"molecule_id","AAC","AECC","ALOGP","ALOGP2","AMR","AMW","ARR","ATS1e","ATS1i","ATS1m","ATS1p","ATS1s","ATS1v","ATS2e","ATS2i","ATS2m","ATS2p","ATS2s","ATS2v","ATS3e","ATS3i","ATS3m","ATS3p","ATS3s","ATS3v","ATS4e","ATS4i","ATS4m","ATS4p","ATS4s","ATS4v","ATS5e","ATS5i","ATS5m","ATS5p","ATS5s","ATS5v","ATS6e","ATS6i","ATS6m","ATS6p","ATS6s","ATS6v","ATS7e","ATS7i","ATS7m","ATS7p","ATS7s","ATS7v","ATS8e","ATS8i","ATS8m","ATS8p","ATS8s","ATS8v","ATSC1e","ATSC1i","ATSC1m","ATSC1p","ATSC1s","ATSC1v","ATSC2e","ATSC2i","ATSC2m","ATSC2p","ATSC2s","ATSC2v","ATSC3e","ATSC3i","ATSC3m","ATSC3p","ATSC3s","ATSC3v","ATSC4e","ATSC4i","ATSC4m","ATSC4p","ATSC4s","ATSC4v","ATSC5e","ATSC5i","ATSC5m","ATSC5p","ATSC5s","ATSC5v","ATSC6e","ATSC6i","ATSC6m","ATSC6p","ATSC6s","ATSC6v","ATSC7e","ATSC7i","ATSC7m","ATSC7p","ATSC7s","ATSC7v","ATSC8e","ATSC8i","ATSC8m","ATSC8p","ATSC8s","ATSC8v","BAC","BBI","BIC0","BIC1","BIC2","BIC3","BIC4","BIC5","BID","BLI","BLTA96","BLTD48","BLTF96","Br.091","Br.092","Br.094","Br.095","C.","C.001","C.002","C.003","C.004","C.005","C.006","C.007","C.008","C.009","C.010","C.011","C.012","C.013","C.014","C.015","C.016","C.017","C.018","C.019","C.020","C.021","C.022","C.024","C.025","C.026","C.027","C.028","C.029","C.030","C.031","C.032","C.033","C.034","C.035","C.036","C.037","C.038","C.039","C.040","C.041","C.042","C.043","C.044","CATS2D_00_DD","CATS2D_00_DP","CATS2D_00_PP","CATS2D_01_AA","CATS2D_01_AL","CATS2D_01_AN","CATS2D_01_AP","CATS2D_01_DA","CATS2D_01_DD","CATS2D_01_DN","CATS2D_01_DP","CATS2D_01_LL","CATS2D_01_NL","CATS2D_01_PN","CATS2D_02_AA","CATS2D_02_AL","CATS2D_02_AN","CATS2D_02_AP","CATS2D_02_DA","CATS2D_02_DD","CATS2D_02_DL","CATS2D_02_DP","CATS2D_02_LL","CATS2D_02_NL","CATS2D_02_PL","CATS2D_02_PP","CATS2D_03_AA","CATS2D_03_AL","CATS2D_03_AN","CATS2D_03_AP","CATS2D_03_DA","CATS2D_03_DD","CATS2D_03_DL","CATS2D_03_DN","CATS2D_03_DP","CATS2D_03_LL","CATS2D_03_NL","CATS2D_03_NN","CATS2D_03_PL","CATS2D_03_PP","CATS2D_04_AA","CATS2D_04_AL","CATS2D_04_AN","CATS2D_04_AP","CATS2D_04_DA","CATS2D_04_DD","CATS2D_04_DL","CATS2D_04_DN","CATS2D_04_DP","CATS2D_04_LL","CATS2D_04_NL","CATS2D_04_PL","CATS2D_04_PP","CATS2D_05_AA","CATS2D_05_AL","CATS2D_05_AN","CATS2D_05_AP","CATS2D_05_DA","CATS2D_05_DD","CATS2D_05_DL","CATS2D_05_DN","CATS2D_05_DP","CATS2D_05_LL","CATS2D_05_NL","CATS2D_05_PL","CATS2D_05_PP","CATS2D_06_AA","CATS2D_06_AL","CATS2D_06_AN","CATS2D_06_AP","CATS2D_06_DA","CATS2D_06_DD","CATS2D_06_DL","CATS2D_06_DP","CATS2D_06_LL","CATS2D_06_NL","CATS2D_06_PL","CATS2D_06_PP","CATS2D_07_AA","CATS2D_07_AL","CATS2D_07_AN","CATS2D_07_AP","CATS2D_07_DA","CATS2D_07_DD","CATS2D_07_DL","CATS2D_07_DP","CATS2D_07_LL","CATS2D_07_NL","CATS2D_07_PL","CATS2D_07_PP","CATS2D_08_AA","CATS2D_08_AL","CATS2D_08_AN","CATS2D_08_AP","CATS2D_08_DA","CATS2D_08_DD","CATS2D_08_DL","CATS2D_08_DN","CATS2D_08_DP","CATS2D_08_LL","CATS2D_08_NL","CATS2D_08_PL","CATS2D_08_PP","CATS2D_09_AA","CATS2D_09_AL","CATS2D_09_AN","CATS2D_09_AP","CATS2D_09_DA","CATS2D_09_DD","CATS2D_09_DL","CATS2D_09_DN","CATS2D_09_DP","CATS2D_09_LL","CATS2D_09_NL","CATS2D_09_PL","CATS2D_09_PP","CENT","Chi0_AEA.bo.","Chi0_AEA.dm.","Chi0_AEA.ed.","Chi0_AEA.ri.","Chi0_EA","Chi0_EA.bo.","Chi0_EA.dm.","Chi0_EA.ed.","Chi0_EA.ri.","Chi1_AEA.bo.","Chi1_AEA.dm.","Chi1_AEA.ed.","Chi1_AEA.ri.","Chi1_EA","Chi1_EA.bo.","Chi1_EA.dm.","Chi1_EA.ed.","Chi1_EA.ri.","CIC0","CIC1","CIC2","CIC3","CIC4","CIC5","CID","Cl.086","Cl.089","Cl.090","CMC.50","CMC.80","cRo5","CSI","DBI","D.Dtr03","D.Dtr04","D.Dtr05","D.Dtr06","D.Dtr07","D.Dtr08","D.Dtr09","D.Dtr10","D.Dtr11","D.Dtr12","DECC","DELS","Depressant.50","Depressant.80","DLS_01","DLS_02","DLS_03","DLS_04","DLS_05","DLS_06","DLS_07","DLS_cons","Dz","ECC","Eig01_AEA.bo.","Eig01_AEA.dm.","Eig01_AEA.ed.","Eig01_AEA.ri.","Eig01_EA","Eig01_EA.bo.","Eig01_EA.dm.","Eig01_EA.ed.","Eig01_EA.ri.","Eig02_AEA.bo.","Eig02_AEA.dm.","Eig02_AEA.ed.","Eig02_AEA.ri.","Eig02_EA","Eig02_EA.bo.","Eig02_EA.dm.","Eig02_EA.ed.","Eig02_EA.ri.","Eig03_AEA.bo.","Eig03_AEA.dm.","Eig03_AEA.ed.","Eig03_AEA.ri.","Eig03_EA","Eig03_EA.bo.","Eig03_EA.dm.","Eig03_EA.ed.","Eig03_EA.ri.","Eig04_AEA.bo.","Eig04_AEA.dm.","Eig04_AEA.ed.","Eig04_AEA.ri.","Eig04_EA","Eig04_EA.bo.","Eig04_EA.dm.","Eig04_EA.ed.","Eig04_EA.ri.","Eig05_AEA.bo.","Eig05_AEA.dm.","Eig05_AEA.ed.","Eig05_AEA.ri.","Eig05_EA","Eig05_EA.bo.","Eig05_EA.dm.","Eig05_EA.ed.","Eig05_EA.ri.","Eig06_AEA.bo.","Eig06_AEA.dm.","Eig06_AEA.ed.","Eig06_AEA.ri.","Eig06_EA","Eig06_EA.bo.","Eig06_EA.dm.","Eig06_EA.ed.","Eig06_EA.ri.","Eig07_AEA.bo.","Eig07_AEA.dm.","Eig07_AEA.ed.","Eig07_AEA.ri.","Eig07_EA","Eig07_EA.bo.","Eig07_EA.dm.","Eig07_EA.ed.","Eig07_EA.ri.","Eig08_AEA.bo.","Eig08_AEA.dm.","Eig08_AEA.ed.","Eig08_AEA.ri.","Eig08_EA","Eig08_EA.bo.","Eig08_EA.dm.","Eig08_EA.ed.","Eig08_EA.ri.","Eig09_AEA.bo.","Eig09_AEA.dm.","Eig09_AEA.ed.","Eig09_AEA.ri.","Eig09_EA","Eig09_EA.bo.","Eig09_EA.dm.","Eig09_EA.ed.","Eig09_EA.ri.","Eig10_AEA.bo.","Eig10_AEA.dm.","Eig10_AEA.ed.","Eig10_AEA.ri.","Eig10_EA","Eig10_EA.bo.","Eig10_EA.dm.","Eig10_EA.ed.","Eig10_EA.ri.","Eig11_AEA.bo.","Eig11_AEA.dm.","Eig11_AEA.ed.","Eig11_AEA.ri.","Eig11_EA","Eig11_EA.bo.","Eig11_EA.dm.","Eig11_EA.ed.","Eig11_EA.ri.","Eig12_AEA.bo.","Eig12_AEA.dm.","Eig12_AEA.ed.","Eig12_AEA.ri.","Eig12_EA","Eig12_EA.bo.","Eig12_EA.dm.","Eig12_EA.ed.","Eig12_EA.ri.","Eig13_AEA.bo.","Eig13_AEA.dm.","Eig13_AEA.ed.","Eig13_AEA.ri.","Eig13_EA","Eig13_EA.bo.","Eig13_EA.dm.","Eig13_EA.ed.","Eig13_EA.ri.","Eig14_AEA.bo.","Eig14_AEA.dm.","Eig14_AEA.ed.","Eig14_AEA.ri.","Eig14_EA","Eig14_EA.bo.","Eig14_EA.dm.","Eig14_EA.ed.","Eig14_EA.ri.","Eig15_AEA.bo.","Eig15_AEA.dm.","Eig15_AEA.ed.","Eig15_AEA.ri.","Eig15_EA","Eig15_EA.bo.","Eig15_EA.dm.","Eig15_EA.ed.","Eig15_EA.ri.","Eta_alpha","Eta_alpha_A","Eta_B","Eta_B_A","Eta_beta","Eta_beta_A","Eta_betaP","Eta_betaP_A","Eta_betaS","Eta_betaS_A","Eta_C","Eta_C_A","Eta_epsi","Eta_epsi_A","Eta_F","Eta_F_A","Eta_FL","Eta_FL_A","Eta_L","Eta_L_A","Eta_sh_p","Eta_sh_x","Eta_sh_y","F.081","F.083","F.084","F.085","GATS1e","GATS1i","GATS1m","GATS1p","GATS1s","GATS1v","GATS2e","GATS2i","GATS2m","GATS2p","GATS2s","GATS2v","GATS3e","GATS3i","GATS3m","GATS3p","GATS3s","GATS3v","GATS4e","GATS4i","GATS4m","GATS4p","GATS4s","GATS4v","GATS5e","GATS5i","GATS5m","GATS5p","GATS5s","GATS5v","GATS6e","GATS6i","GATS6m","GATS6p","GATS6s","GATS6v","GATS7e","GATS7i","GATS7m","GATS7p","GATS7s","GATS7v","GATS8e","GATS8i","GATS8m","GATS8p","GATS8s","GATS8v","GGI1","GGI10","GGI2","GGI3","GGI4","GGI5","GGI6","GGI7","GGI8","GGI9","GMTI","GMTIV","GNar","H.","H.046","H.047","H.048","H.049","H.050","H.051","H.052","H.053","H.054","HDcpx","HNar","HVcpx","Hy","Hypertens.50","Hypertens.80","Hypnotic.50","Hypnotic.80","I.096","I.099","IAC","IC0","IC1","IC2","IC3","IC4","IC5","ICR","IDDE","IDDM","IDE","IDET","IDM","IDMT","Infective.50","Infective.80","Inflammat.50","Inflammat.80","ISIZ","IVDE","IVDM","JGI1","JGI10","JGI2","JGI3","JGI4","JGI5","JGI6","JGI7","JGI8","JGI9","JGT","LLS_01","LLS_02","LOC","LPRS","MATS1e","MATS1i","MATS1m","MATS1p","MATS1s","MATS1v","MATS2e","MATS2i","MATS2m","MATS2p","MATS2s","MATS2v","MATS3e","MATS3i","MATS3m","MATS3p","MATS3s","MATS3v","MATS4e","MATS4i","MATS4m","MATS4p","MATS4s","MATS4v","MATS5e","MATS5i","MATS5m","MATS5p","MATS5s","MATS5v","MATS6e","MATS6i","MATS6m","MATS6p","MATS6s","MATS6v","MATS7e","MATS7i","MATS7m","MATS7p","MATS7s","MATS7v","MATS8e","MATS8i","MATS8m","MATS8p","MATS8s","MATS8v","MAXDN","MAXDP","MCD","MDDD","Me","Mi","MLOGP","MLOGP2","Mp","MPC01","MPC02","MPC03","MPC04","MPC05","MPC06","MPC07","MPC08","MPC09","MPC10","MSD","Mv","MW","MWC01","MWC02","MWC03","MWC04","MWC05","MWC06","MWC07","MWC08","MWC09","MWC10","N.","N.066","N.067","N.068","N.069","N.070","N.071","N.072","N.073","N.074","N.075","N.076","N.077","N.078","N.079","n124.Triazines","NaaaC","NaaCH","NaaN","NaaNH","NaaO","NaaS","NaasC","NaasN","nAB","nArCHO","nArCN","nArC.N","nArCNO","nArCO","nArCONH2","nArCONHR","nArCONR2","nArCOOH","nArCOOR","nArNH2","nArNHR","nArNO2","nArNR2","nArOCON","nArOH","nArOR","nArX","nAT","nBeta.Lactams","nBM","nBnz","nBO","nBR","nBT","nC","nCar","nCb.","nCbH","nCconj","nCconjX","nCH2RX","nCHR2X","nCIC","nCIR","nCL","nC.N.N.","nC..N.N2","nCONN","nC.O.O.2","nCp","nCq","nCR3X","nCrq","nCrs","nCrt","nCRX3","nCs","nCsp","nCsp2","nCsp3","nCt","nCXr","nCXr.","nDB","NdCH2","NddsN","NddssS","NdNH","NdO","NdS","NdsCH","NdsN","NdssC","NdssS","NdsssP","Neoplastic.50","Neoplastic.80","nF","nFuranes","nH","nHAcc","nHDon","nHet","nHM","nI","nImidazoles","nIsothiazoles","nIsoxazoles","nN","nN.","nN.C.N.","nN.CO.2","nN.N","nNq","NNRS","nO","nOHp","nOHs","nOHt","nOxazoles","nOxiranes","nOxolanes","nP","nPO4","nP..O.O2R","nPyrazines","nPyrazoles","nPyridazines","nPyridines","nPyrimidines","nPyrroles","nPyrrolidines","nR03","nR04","nR05","nR06","nR07","nR08","nR09","nR10","nR11","nR12","nR.C.","nR.CH.X","nRCN","nRC.N","nRCNO","nRCO","nRCONH2","nRCONHR","nRCONR2","nRCOOH","nRCOOR","nRCOSR","nR.Cp","nR.Cs","nR.Ct","nRNH2","nRNHO","nRNHR","nRNO2","nRNR2","nROCON","nROH","nROR","NRS","nRSR","nRSSR","nS","NsBr","NsCH3","NsCl","NsF","NsI","nSK","NsNH2","nSO","nS..O.2","nSO2N","nSO2OH","nSO3OH","NsOH","NssCH2","NssNH","NssO","NssS","NsssCH","NsssN","NssssC","NssssN.","NssssSi","nTB","NtCH","nThiazoles","nThiophenes","NtN","nTriazoles","NtsC","nX","O.","O.056","O.057","O.058","O.059","O.060","O.061","O.062","ON0","ON0V","ON1","ON1V","P.117","P.120","PCD","PCR","PDI","PHI","piID","piPC01","piPC02","piPC03","piPC04","piPC05","piPC06","piPC07","piPC08","piPC09","piPC10","PJI2","Pol","Psi_e_0","Psi_e_0d","Psi_e_1","Psi_e_1d","Psi_e_1s","Psi_e_A","Psi_e_t","Psi_i_0","Psi_i_0d","Psi_i_1","Psi_i_1d","Psi_i_1s","Psi_i_A","Psi_i_s","Psi_i_t","Psychotic.50","Psychotic.80","P_VSA_e_1","P_VSA_e_2","P_VSA_e_3","P_VSA_e_4","P_VSA_e_5","P_VSA_e_6","P_VSA_i_1","P_VSA_i_2","P_VSA_i_3","P_VSA_i_4","P_VSA_LogP_1","P_VSA_LogP_2","P_VSA_LogP_3","P_VSA_LogP_4","P_VSA_LogP_5","P_VSA_LogP_6","P_VSA_LogP_7","P_VSA_LogP_8","P_VSA_m_1","P_VSA_m_2","P_VSA_m_3","P_VSA_m_4","P_VSA_m_5","P_VSA_MR_1","P_VSA_MR_2","P_VSA_MR_3","P_VSA_MR_4","P_VSA_MR_5","P_VSA_MR_6","P_VSA_MR_7","P_VSA_MR_8","P_VSA_p_1","P_VSA_p_2","P_VSA_p_3","P_VSA_p_4","P_VSA_s_1","P_VSA_s_2","P_VSA_s_3","P_VSA_s_4","P_VSA_s_5","P_VSA_s_6","P_VSA_v_1","P_VSA_v_2","P_VSA_v_3","P_VSA_v_4","PW2","PW3","PW4","PW5","Qindex","Ram","RBF","RBN","Rbrid","RCI","RDCHI","RDSQ","RFD","Rperim","S0K","S.107","S.108","S.109","S.110","S1K","S2K","S3K","SaaaC","SAacc","SaaCH","SaaN","SaaNH","SaaO","SaaS","SaasC","SaasN","SAdon","SAtot","SCBO","SdCH2","SddsN","SddssS","SdNH","SdO","SdS","SdsCH","SdsN","SdssC","SdssS","SdsssP","Se","Si","Si.111","SIC0","SIC1","SIC2","SIC3","SIC4","SIC5","SM02_AEA.bo.","SM02_AEA.dm.","SM02_AEA.ed.","SM02_AEA.ri.","SM02_EA","SM02_EA.bo.","SM02_EA.dm.","SM02_EA.ed.","SM02_EA.ri.","SM03_AEA.bo.","SM03_AEA.dm.","SM03_AEA.ed.","SM03_AEA.ri.","SM03_EA","SM03_EA.bo.","SM03_EA.dm.","SM03_EA.ed.","SM03_EA.ri.","SM04_AEA.bo.","SM04_AEA.dm.","SM04_AEA.ed.","SM04_AEA.ri.","SM04_EA","SM04_EA.bo.","SM04_EA.dm.","SM04_EA.ed.","SM04_EA.ri.","SM05_AEA.bo.","SM05_AEA.dm.","SM05_AEA.ed.","SM05_AEA.ri.","SM05_EA","SM05_EA.bo.","SM05_EA.dm.","SM05_EA.ed.","SM05_EA.ri.","SM06_AEA.bo.","SM06_AEA.dm.","SM06_AEA.ed.","SM06_AEA.ri.","SM06_EA","SM06_EA.bo.","SM06_EA.dm.","SM06_EA.ed.","SM06_EA.ri.","SM07_AEA.bo.","SM07_AEA.dm.","SM07_AEA.ed.","SM07_AEA.ri.","SM07_EA","SM07_EA.bo.","SM07_EA.dm.","SM07_EA.ed.","SM07_EA.ri.","SM08_AEA.bo.","SM08_AEA.dm.","SM08_AEA.ed.","SM08_AEA.ri.","SM08_EA","SM08_EA.bo.","SM08_EA.dm.","SM08_EA.ed.","SM08_EA.ri.","SM09_AEA.bo.","SM09_AEA.dm.","SM09_AEA.ed.","SM09_AEA.ri.","SM09_EA","SM09_EA.bo.","SM09_EA.dm.","SM09_EA.ed.","SM09_EA.ri.","SM10_AEA.bo.","SM10_AEA.dm.","SM10_AEA.ed.","SM10_AEA.ri.","SM10_EA","SM10_EA.bo.","SM10_EA.dm.","SM10_EA.ed.","SM10_EA.ri.","SM11_AEA.bo.","SM11_AEA.dm.","SM11_AEA.ed.","SM11_AEA.ri.","SM11_EA","SM11_EA.bo.","SM11_EA.dm.","SM11_EA.ed.","SM11_EA.ri.","SM12_AEA.bo.","SM12_AEA.dm.","SM12_AEA.ed.","SM12_AEA.ri.","SM12_EA","SM12_EA.bo.","SM12_EA.dm.","SM12_EA.ed.","SM12_EA.ri.","SM13_AEA.bo.","SM13_AEA.dm.","SM13_AEA.ed.","SM13_AEA.ri.","SM13_EA","SM13_EA.bo.","SM13_EA.dm.","SM13_EA.ed.","SM13_EA.ri.","SM14_AEA.bo.","SM14_AEA.dm.","SM14_AEA.ed.","SM14_AEA.ri.","SM14_EA","SM14_EA.bo.","SM14_EA.dm.","SM14_EA.ed.","SM14_EA.ri.","SM15_AEA.bo.","SM15_AEA.dm.","SM15_AEA.ed.","SM15_AEA.ri.","SM15_EA","SM15_EA.bo.","SM15_EA.dm.","SM15_EA.ed.","SM15_EA.ri.","SMTI","SMTIV","SNar","Sp","SpAD_AEA.bo.","SpAD_AEA.dm.","SpAD_AEA.ed.","SpAD_AEA.ri.","SpAD_EA","SpAD_EA.bo.","SpAD_EA.dm.","SpAD_EA.ed.","SpAD_EA.ri.","SpDiam_AEA.bo.","SpDiam_AEA.dm.","SpDiam_AEA.ed.","SpDiam_AEA.ri.","SpDiam_EA","SpDiam_EA.bo.","SpDiam_EA.dm.","SpDiam_EA.ed.","SpDiam_EA.ri.","SPI","SpMAD_AEA.bo.","SpMAD_AEA.dm.","SpMAD_AEA.ed.","SpMAD_AEA.ri.","SpMAD_EA","SpMAD_EA.bo.","SpMAD_EA.dm.","SpMAD_EA.ed.","SpMAD_EA.ri.","SpMax1_Bh.e.","SpMax1_Bh.i.","SpMax1_Bh.m.","SpMax1_Bh.p.","SpMax1_Bh.s.","SpMax1_Bh.v.","SpMax2_Bh.e.","SpMax2_Bh.i.","SpMax2_Bh.m.","SpMax2_Bh.p.","SpMax2_Bh.s.","SpMax2_Bh.v.","SpMax3_Bh.e.","SpMax3_Bh.i.","SpMax3_Bh.m.","SpMax3_Bh.p.","SpMax3_Bh.s.","SpMax3_Bh.v.","SpMax4_Bh.e.","SpMax4_Bh.i.","SpMax4_Bh.m.","SpMax4_Bh.p.","SpMax4_Bh.s.","SpMax4_Bh.v.","SpMax5_Bh.e.","SpMax5_Bh.i.","SpMax5_Bh.m.","SpMax5_Bh.p.","SpMax5_Bh.s.","SpMax5_Bh.v.","SpMax6_Bh.e.","SpMax6_Bh.i.","SpMax6_Bh.m.","SpMax6_Bh.p.","SpMax6_Bh.s.","SpMax6_Bh.v.","SpMax7_Bh.e.","SpMax7_Bh.i.","SpMax7_Bh.m.","SpMax7_Bh.p.","SpMax7_Bh.s.","SpMax7_Bh.v.","SpMax8_Bh.e.","SpMax8_Bh.i.","SpMax8_Bh.m.","SpMax8_Bh.p.","SpMax8_Bh.s.","SpMax8_Bh.v.","SpMaxA_AEA.bo.","SpMaxA_AEA.dm.","SpMaxA_AEA.ed.","SpMaxA_AEA.ri.","SpMaxA_EA","SpMax_AEA.bo.","SpMaxA_EA.bo.","SpMax_AEA.dm.","SpMaxA_EA.dm.","SpMax_AEA.ed.","SpMaxA_EA.ed.","SpMax_AEA.ri.","SpMaxA_EA.ri.","SpMax_EA","SpMax_EA.bo.","SpMax_EA.dm.","SpMax_EA.ed.","SpMax_EA.ri.","SpMin1_Bh.e.","SpMin1_Bh.i.","SpMin1_Bh.m.","SpMin1_Bh.p.","SpMin1_Bh.s.","SpMin1_Bh.v.","SpMin2_Bh.e.","SpMin2_Bh.i.","SpMin2_Bh.m.","SpMin2_Bh.p.","SpMin2_Bh.s.","SpMin2_Bh.v.","SpMin3_Bh.e.","SpMin3_Bh.i.","SpMin3_Bh.m.","SpMin3_Bh.p.","SpMin3_Bh.s.","SpMin3_Bh.v.","SpMin4_Bh.e.","SpMin4_Bh.i.","SpMin4_Bh.m.","SpMin4_Bh.p.","SpMin4_Bh.s.","SpMin4_Bh.v.","SpMin5_Bh.e.","SpMin5_Bh.i.","SpMin5_Bh.m.","SpMin5_Bh.p.","SpMin5_Bh.s.","SpMin5_Bh.v.","SpMin6_Bh.e.","SpMin6_Bh.i.","SpMin6_Bh.m.","SpMin6_Bh.p.","SpMin6_Bh.s.","SpMin6_Bh.v.","SpMin7_Bh.e.","SpMin7_Bh.i.","SpMin7_Bh.m.","SpMin7_Bh.p.","SpMin7_Bh.s.","SpMin7_Bh.v.","SpMin8_Bh.e.","SpMin8_Bh.i.","SpMin8_Bh.m.","SpMin8_Bh.p.","SpMin8_Bh.s.","SpMin8_Bh.v.","SRW02","SRW03","SRW04","SRW05","SRW06","SRW07","SRW08","SRW09","SRW10","SsBr","SsCH3","SsCl","SsF","SsI","SsNH2","SsOH","SssCH2","SssNH","SssO","SssS","SsssCH","SsssN","SssssC","SssssN.","SssssSi","StCH","StN","StsC","Sv","TIC0","TIC1","TIC2","TIC3","TIC4","TIC5","TIE","TPC","TPSA.NO.","TPSA.Tot.","TRS","TWC","Uc","Ui","Uindex","UNIP","VAR","Vindex","VvdwMG","VvdwZAZ","Vx","Wap","X.","X0","X0A","X0Av","X0sol","X0v","X1","X1A","X1Av","X1Kup","X1Mad","X1MulPer","X1Per","X1sol","X1v","X2","X2A","X2Av","X2sol","X2v","X3","X3A","X3Av","X3sol","X3v","X4","X4A","X4Av","X4sol","X4v","X5","X5A","X5Av","X5sol","X5v","Xindex","XMOD","Xt","Xu","Yindex","ZM1","ZM1Kup","ZM1Mad","ZM1MulPer","ZM1Per","ZM1V","ZM2","ZM2Kup","ZM2Mad","ZM2MulPer","ZM2Per","ZM2V","pXC50"
{1 1.569,2 14.192,3 3.309,4 10.946,5 109.444,6 7.285,7 0.444,8 3.989,9 4.119,10 3.525,11 3.515,12 5.054,13 3.469,14 4.51,15 4.7,16 3.808,17 3.84,18 5.54,19 3.765,20 4.728,21 4.948,22 3.793,23 3.973,24 5.7,25 3.836,26 4.785,27 5.046,28 3.783,29 3.9,30 5.773,31 3.746,32 4.707,33 4.963,34 3.708,35 3.815,36 5.671,37 3.673,38 4.608,39 4.854,40 3.597,41 3.799,42 5.525,43 3.626,44 4.602,45 4.865,46 3.471,47 3.715,48 5.517,49 3.522,50 4.461,51 4.737,52 3.306,53 3.554,54 5.288,55 3.385,56 0.035,57 0.719,58 10.999,59 4.638,60 7.474,61 6.267,62 0.299,63 1.124,64 21.495,65 7.049,66 26.749,67 9.939,68 0.334,69 1.305,70 28.399,71 10.135,72 36.264,73 13.437,74 0.323,75 1.32,76 32.479,77 10.599,78 54.749,79 14.152,80 0.425,81 1.21,82 30.806,83 9.356,84 50.279,85 12.248,86 0.261,87 1.138,88 26.856,89 9.237,90 36.995,91 11.99,92 0.345,93 1.085,94 28.521,95 9.381,96 46.702,97 12.116,98 0.251,99 0.951,100 24.199,101 7.575,102 29.519,103 10.295,104 10,105 33,106 0.266,107 0.56,108 0.703,109 0.8,110 0.852,111 0.858,112 3.302,113 1,114 -3.68,115 -3.65,116 -3.47,121 39.2,126 1,127 5,144 10,145 2,160 1,161 1,176 12,180 2,183 1,184 1,185 1,187 12,191 1,192 4,195 1,197 2,200 6,206 4,209 1,211 3,219 3,222 1,224 3,232 2,235 1,237 2,243 1,244 3,249 1,256 3,259 1,261 1,269 2,274 2,281 1104,282 17.587,283 17.587,284 17.587,285 17.587,286 17.587,287 15.839,288 17.533,289 11.183,290 18.042,291 13.377,292 13.377,293 13.377,294 13.377,295 13.377,296 10.817,297 20.033,298 5.408,299 14.072,300 4.104,301 2.364,302 1.519,303 0.946,304 0.642,305 0.603,306 3.971,310 1,311 1,312 1,313 765,314 4.243,318 219.881,325 2.192,326 19.504,328 1,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 55.5,338 369,339 4.162,340 3.833,341 6.042,342 3.812,343 2.817,344 3.68,345 1.773,346 8.643,347 2.805,348 3.927,349 3.461,350 5.484,351 3.596,352 2.625,353 3.455,354 0.99,355 7.392,356 2.558,357 3.637,358 2.95,359 5.046,360 3.194,361 2.305,362 2.87,363 0.916,364 6.099,365 2.044,366 3.294,367 2.463,368 4.819,369 3.101,370 2.163,371 2.413,372 0.86,373 5.518,374 2.016,375 3.198,376 2.239,377 4.161,378 2.74,379 1.764,380 2.363,381 0.172,382 3.919,383 1.715,384 2.858,385 2.181,386 3.747,387 2.544,388 1.634,389 1.969,390 0.14,391 3.406,392 1.479,393 2.681,394 1.577,395 3.571,396 2.394,397 1.411,398 1.687,400 3.008,401 1.372,402 2.543,403 1.477,404 3.433,405 2.065,406 1.096,407 1.5,409 2.502,410 1.053,411 2.5,412 1.324,413 3.247,414 2,415 1,416 1.5,418 2.136,419 1,420 2.5,421 1,422 3.247,423 2,424 1,425 1.479,427 2.136,428 1,429 2.071,430 1,431 3.144,432 1.881,433 0.925,434 1.032,436 2,437 0.871,438 1.36,439 0.937,440 2.732,441 1.178,442 0.273,443 0.287,445 0.597,446 0.244,447 1.016,448 0.728,449 2.415,450 0.779,451 -0.183,452 -0.208,454 -0.437,455 -0.175,456 1,457 0.191,458 2.071,459 0.5,460 -0.446,461 -0.497,463 -1.051,464 -0.414,465 0.742,466 -0.076,467 1.733,468 0.281,469 -0.633,470 -0.772,472 -1.364,473 -0.538,474 12.7,475 0.488,476 0.438,477 0.017,478 30.5,479 1.173,480 14.5,481 0.558,482 16,483 0.615,484 20.183,485 0.776,486 28.7,487 0.563,488 22.25,489 0.856,490 6.648,491 0.256,492 6,493 0.231,494 0.131,496 0.189,501 0.859,502 1.341,503 0.742,504 1.015,505 0.625,506 1.016,507 1.198,508 1.041,509 0.883,510 0.916,511 0.698,512 0.981,513 1.043,514 1.087,515 1.053,516 1.065,517 0.955,518 1.105,519 0.968,520 1.068,521 0.925,522 1.023,523 0.98,524 0.964,525 1.441,526 0.885,527 1.037,528 0.885,529 1.208,530 0.872,531 1.1,532 0.979,533 1.117,534 1.047,535 1.119,536 1.057,537 0.982,538 1.033,539 1.187,540 1.115,541 0.903,542 1.032,543 0.976,544 0.902,545 1.059,546 1.015,547 0.663,548 0.944,549 4,550 0.091,551 1.778,552 1.25,553 0.822,554 0.493,555 0.264,556 0.146,557 0.14,558 0.051,559 9795,560 25677,561 1.996,562 49,564 23,567 2,572 1.68,573 1.902,574 3.785,575 0.251,576 1,577 1,582 80.004,583 1.569,584 3.309,585 4.153,586 4.726,587 5.03,588 5.069,589 3.229,590 4.162,591 4.676,592 3.975,593 1291.8,594 8.04,595 18547.9,597 1,599 1,600 289.294,601 1.184,602 4.648,603 0.148,604 0.006,605 0.054,606 0.04,607 0.029,608 0.019,609 0.011,610 0.007,611 0.008,612 0.003,613 0.326,614 0.33,615 1,616 0.54,617 134.214,618 -0.032,619 -0.172,620 0.023,621 -0.066,622 -0.042,623 -0.025,624 -0.029,625 0.055,626 -0.028,627 -0.013,628 0.027,629 -0.04,630 0.01,631 -0.077,632 -0.106,633 -0.094,634 -0.026,635 -0.131,636 0.079,637 -0.114,638 0.091,639 -0.05,640 0.161,641 0.005,642 -0.085,643 0.087,644 0.029,645 0.083,646 -0.045,647 0.069,648 -0.081,649 0.014,650 -0.064,651 -0.033,652 -0.103,653 -0.079,654 0.081,655 -0.085,656 -0.053,657 -0.063,658 0.035,659 -0.045,660 -0.002,661 0.055,662 -0.014,663 -0.033,664 -0.013,665 0.027,666 1.883,667 4.94,668 0.462,669 28.154,670 0.995,671 1.126,672 2.451,673 6.008,674 0.666,675 3.332,676 3.526,677 3.638,678 3.761,679 3.829,680 3.611,681 3.584,682 3.497,683 3.434,684 3.296,685 8.413,686 0.617,687 371.55,688 3.332,689 4.796,690 5.565,691 6.365,692 7.146,693 7.95,694 8.736,695 9.541,696 10.331,697 11.137,698 5.9,701 1,705 2,715 10,720 2,722 12,741 51,743 14,744 2,745 27,747 52,748 20,749 12,750 2,751 10,752 1,756 2,757 2,761 1,772 14,773 6,777 2,782 1,783 1,786 2,790 1,793 25,794 5,795 2,796 6,797 1,802 3,805 1,808 1,809 2,829 2,855 1,858 1,859 2,862 1,864 1,868 26,876 5,877 2,878 1,881 1,893 3.9,896 1,897 1,901 13.667,902 9.033,903 6.028,904 2.872,907 1.701,908 1.265,909 0.939,910 9.106,911 8.109,912 3.584,913 4.007,914 4.388,915 4.806,916 5.181,917 4.853,918 4.978,919 4.833,920 4.8,921 4.479,922 1,923 31,924 9.581,926 3.781,927 0.026,929 7.705,931 18.366,933 13.968,936 2.205,937 57.333,939 1,940 1,941 270.735,942 175.213,943 39.146,945 36.145,947 45.192,948 130.021,949 306.88,950 39.146,951 8.396,952 51.523,953 94.762,954 40.849,955 9.495,956 0.285,957 270.735,958 45.192,959 270.735,960 169.167,961 36.145,962 45.192,964 270.735,965 25.145,966 11,968 54.648,969 114.519,971 45.192,972 270.735,973 75.291,974 175.213,977 270.735,978 26.862,979 106.283,980 36.022,981 81.337,982 270.735,983 75.291,984 175.213,986 0.55,987 0.297,988 0.155,989 0.079,990 11,991 5,992 0.173,993 9,995 1,996 4.08,997 180.224,999 12,1000 114.211,1002 1,1005 20.365,1006 11.626,1007 8.332,1009 75.291,1010 19.323,1015 1.866,1017 36.022,1018 521.239,1019 35,1024 11.94,1025 5.116,1028 0.093,1031 50.756,1032 57.401,1034 0.277,1035 0.583,1036 0.732,1037 0.833,1038 0.887,1039 0.894,1040 4.745,1041 1.096,1042 5.468,1043 3.008,1044 4.205,1045 4.691,1046 2.429,1047 6.098,1048 4.119,1049 5.865,1050 1,1051 6.911,1052 2.502,1053 3.434,1054 4.06,1055 1.404,1056 6.605,1057 3.305,1058 7.091,1059 1,1060 8.452,1061 2.136,1062 5.617,1063 6.638,1064 2.932,1065 9.664,1066 5.467,1067 8.347,1068 0.925,1069 10.055,1070 2.136,1071 5.673,1072 6.802,1073 2.615,1074 11.058,1075 5.511,1076 9.635,1077 0.273,1078 11.7,1079 2,1080 7.277,1081 8.866,1082 3.758,1083 13.572,1084 7.094,1085 10.946,1086 -0.183,1087 13.376,1088 0.597,1089 7.763,1090 9.436,1091 3.838,1092 15.354,1093 7.59,1094 12.275,1095 -0.446,1096 15.074,1097 -0.437,1098 9.079,1099 11.236,1100 4.753,1101 17.654,1102 8.887,1103 2.817,1104 -0.633,1105 16.788,1106 -1.051,1107 9.803,1108 12.044,1109 5.046,1110 19.62,1111 9.626,1112 2.625,1113 8.643,1114 18.515,1115 -1.364,1116 10.969,1117 13.681,1118 5.824,1119 21.83,1120 10.78,1121 2.305,1122 7.392,1123 20.253,1124 3.68,1125 11.825,1126 14.642,1127 6.233,1128 23.886,1129 11.65,1130 2.163,1131 6.099,1132 21.999,1133 3.455,1134 12.915,1135 16.171,1136 6.93,1137 26.059,1138 12.732,1139 1.764,1140 5.518,1141 23.752,1142 2.87,1143 13.845,1144 17.234,1145 7.405,1146 28.159,1147 13.672,1148 1.634,1149 3.919,1150 25.51,1151 2.413,1152 14.897,1153 18.689,1154 8.054,1155 30.318,1156 14.72,1157 1.411,1158 3.406,1159 27.273,1160 2.363,1161 15.867,1162 19.822,1163 8.567,1164 32.442,1165 15.697,1166 9640,1167 15769,1168 17.97,1169 33.949,1170 38.352,1171 40.328,1172 38.679,1173 38.077,1174 38.026,1175 48.468,1176 9.705,1177 94.709,1178 36.313,1179 5.13,1180 5.833,1181 5.869,1182 4.888,1183 4.817,1184 6.68,1185 3.162,1186 14.765,1187 4.805,1188 11.468,1189 1.42,1190 1.494,1191 1.433,1192 1.41,1193 1.408,1194 1.795,1195 0.359,1196 3.508,1197 1.345,1198 3.943,1199 3.979,1200 3.96,1201 3.869,1202 7.429,1203 3.864,1204 3.908,1205 3.938,1206 3.845,1207 3.841,1208 4.853,1209 3.835,1210 3.694,1211 3.751,1212 3.799,1213 3.51,1214 4.757,1215 3.496,1216 3.58,1217 3.653,1218 3.523,1219 3.406,1220 4.716,1221 3.391,1222 3.384,1223 3.434,1224 3.293,1225 3.184,1226 4.57,1227 3.18,1228 3.175,1229 3.246,1230 3.169,1231 2.981,1232 4.174,1233 2.975,1234 2.978,1235 3.053,1236 2.939,1237 2.904,1238 3.801,1239 2.849,1240 2.945,1241 3.003,1242 2.728,1243 2.769,1244 3.674,1245 2.737,1246 0.154,1247 0.142,1248 0.224,1249 0.141,1250 0.104,1251 4.162,1252 0.136,1253 3.833,1254 0.066,1255 6.042,1256 0.32,1257 3.812,1258 0.104,1259 2.817,1260 3.68,1261 1.773,1262 8.643,1263 2.805,1264 1.915,1265 1.883,1266 2.049,1267 2.017,1268 1.209,1269 2.03,1270 1.902,1271 1.877,1272 2.017,1273 1.995,1274 1.077,1275 2.002,1276 1.626,1277 1.565,1278 1.859,1279 1.868,1280 1.065,1281 1.87,1282 1.524,1283 1.454,1284 1.755,1285 1.759,1286 0.983,1287 1.769,1288 1.295,1289 1.251,1290 1.527,1291 1.554,1292 0.693,1293 1.543,1294 1.155,1295 1.082,1296 1.38,1297 1.41,1298 0.5,1299 1.431,1300 0.998,1301 0.918,1302 1.358,1303 1.222,1304 0.384,1305 1.275,1306 0.923,1307 0.885,1308 1.181,1309 1.117,1310 0.218,1311 1.133,1312 4.007,1314 5.231,1316 6.629,1318 8.104,1320 9.617,1322 2.072,1328 3.479,1329 5.622,1330 5.606,1333 2.216,1340 31.476,1341 80.004,1342 168.749,1343 211.81,1344 241.029,1345 256.539,1346 258.539,1347 50.024,1348 6.409,1349 53.6,1350 85.69,1351 12,1352 11.733,1353 3.907,1354 3.17,1355 55.722,1356 135,1357 106,1358 0.194,1359 203.918,1360 356.01,1361 489.319,1362 5463,1364 18.615,1365 0.716,1366 0.608,1367 19.115,1368 15.797,1369 12.648,1370 0.468,1371 0.333,1372 8.503,1373 11.941,1374 8.24,1375 6.895,1376 12.937,1377 9.002,1378 10.553,1379 0.32,1380 0.192,1381 10.961,1382 6.32,1383 7.833,1384 0.212,1385 0.107,1386 8.095,1387 3.954,1388 6.097,1389 0.145,1390 0.06,1391 6.385,1392 2.537,1393 4.373,1394 0.097,1395 0.034,1396 4.541,1397 1.539,1398 0.326,1399 81.911,1400 0.236,1401 26.538,1402 0.476,1403 120,1404 354.642,1405 144.595,1406 364.423,1407 476.6,1408 340,1409 130,1410 311.348,1411 148.775,1412 327.584,1413 466.05,1414 305,1415 6.921}
{0 CHEMBL100366,1 1.551,2 10.346,3 3.044,4 9.267,5 97.132,6 7.477,7 0.414,8 3.961,9 4.075,10 3.539,11 3.486,12 5.071,13 3.478,14 4.521,15 4.688,16 3.95,17 3.925,18 5.611,19 3.895,20 4.793,21 4.973,22 4.027,23 4.118,24 5.776,25 4.056,26 4.969,27 5.209,28 3.983,29 4.118,30 5.981,31 4.033,32 4.876,33 5.095,34 3.86,35 3.957,36 6.028,37 3.879,38 4.745,39 4.984,40 3.548,41 3.691,42 5.865,43 3.615,44 4.312,45 4.516,46 3.459,47 3.501,48 5.45,49 3.436,50 4.277,51 4.48,52 3.365,53 3.448,54 5.444,55 3.394,56 0.03,57 0.693,58 9.492,59 4.217,60 7.959,61 5.458,62 0.427,63 1.155,64 18.796,65 7.028,66 34.312,67 9.534,68 0.207,69 1.459,70 24.884,71 9.736,72 29.89,73 13.115,74 0.427,75 1.607,76 32.94,77 11.045,78 48.885,79 15.588,80 0.388,81 1.352,82 30.191,83 10.609,84 62.302,85 14.102,86 0.69,87 1.066,88 29.215,89 8.755,90 96.326,91 11.207,92 0.355,93 0.807,94 16.793,95 6.039,96 37.592,97 8.063,98 0.377,99 0.792,100 16.462,101 5.176,102 43.969,103 6.765,104 18,105 43,106 0.265,107 0.605,108 0.777,109 0.85,110 0.87,111 0.87,112 3.305,113 0.895,114 -3.87,115 -3.82,116 -3.63,121 42.6,122 1,123 1,125 1,126 1,127 1,130 1,144 8,145 1,146 3,160 1,161 1,176 9,179 3,180 7,183 2,185 2,187 10,192 8,197 2,200 7,205 1,206 12,211 3,214 3,218 1,219 13,224 2,227 2,231 1,232 3,237 1,239 4,243 2,244 2,247 1,249 2,251 8,255 1,259 1,264 8,268 1,269 2,272 1,277 8,281 900,282 17.557,283 17.557,284 17.557,285 17.557,286 17.557,287 15.913,288 25.819,289 10.125,290 17.936,291 14.247,292 14.247,293 14.247,294 14.247,295 14.247,296 11.719,297 36.237,298 4.708,299 14.819,300 4.004,301 2.012,302 1,303 0.575,304 0.458,305 0.458,306 3.998,310 1,311 1,312 1,313 590,314 3.536,317 98.836,318 139.609,320 79.927,321 85.297,324 118.78,325 1.55,326 24.755,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 56.5,338 269,339 4.839,340 3.991,341 8.012,342 4.719,343 3.742,344 4.213,345 2.186,346 15.361,347 3.66,348 4.021,349 3.675,350 6.262,351 3.669,352 2.721,353 3.483,354 1.225,355 9.065,356 2.579,357 3.907,358 3.084,359 6.211,360 3.549,361 2.581,362 3.306,363 0.842,364 8.664,365 2.494,366 3.656,367 2.824,368 5.559,369 3.421,370 2.477,371 2.871,372 0.366,373 7.562,374 2.326,375 3.502,376 2.586,377 5.312,378 3.226,379 2.288,380 2.636,381 0.308,382 6.822,383 2.133,384 3.281,385 2.5,386 4.842,387 2.899,388 1.922,389 2.436,391 5.123,392 1.858,393 2.855,394 2.352,395 4.608,396 2.504,397 1.543,398 1.986,400 4.498,401 1.474,402 2.786,403 1.673,404 4.213,405 2.369,406 1.377,407 1.786,409 3.072,410 1.36,411 2.561,412 1.519,413 3.897,414 2.136,415 1.139,416 1.578,418 2.99,419 1.135,420 2.5,421 1.17,422 3.571,423 2,424 1,425 1.5,427 2.136,428 1,429 2.174,430 1,431 3.247,432 1.895,433 0.887,434 1,436 2.117,437 0.884,438 1.669,439 0.906,440 3.137,441 1.348,442 0.313,443 0.408,445 0.549,446 0.318,447 1.219,448 0.699,449 2.947,450 0.947,451 0.023,452 0.026,454 0.059,455 0.021,456 1.159,457 0.34,458 2.636,459 0.745,460 -0.246,461 -0.305,463 -0.598,464 -0.24,465 0.672,466 -0.086,467 2.508,468 0.439,469 -0.548,470 -0.669,472 -1.289,473 -0.535,474 12.2,475 0.469,476 0.733,477 0.028,478 34,479 1.308,480 16.5,481 0.635,482 17.5,483 0.673,484 21.154,485 0.814,486 28,487 0.596,488 25.463,489 0.979,490 6.684,491 0.257,492 5.841,493 0.225,494 0.137,495 0.041,496 0.311,501 0.736,502 1.414,503 0.755,504 1.133,505 0.529,506 0.972,507 0.615,508 0.916,509 0.805,510 0.826,511 0.464,512 0.833,513 0.875,514 1.327,515 1.021,516 1.21,517 0.606,518 1.15,519 0.93,520 0.961,521 0.977,522 0.984,523 0.725,524 0.971,525 1.232,526 1.122,527 1.052,528 1.2,529 1.319,530 1.118,531 1.993,532 0.668,533 1.154,534 0.693,535 2.162,536 0.784,537 0.956,538 1.01,539 0.921,540 1.013,541 0.94,542 0.983,543 1.567,544 0.813,545 1.202,546 0.818,547 1.775,548 0.923,549 6,550 0.134,551 3.556,552 3.458,553 1.682,554 0.872,555 0.571,556 0.269,557 0.299,558 0.191,559 7948,560 20579,561 2.092,562 44.7,563 3,564 13,565 1,566 1,567 1,569 2,572 1.69,573 1.938,574 3.299,575 -0.332,576 1,577 1,582 72.879,583 1.551,584 3.542,585 4.554,586 4.98,587 5.097,588 5.097,589 2.724,590 4.104,591 4.67,592 3.481,593 1131.42,594 8.089,595 13840,597 1,599 1,600 261.066,601 1.619,602 4.616,603 0.207,604 0.007,605 0.083,606 0.077,607 0.041,608 0.026,609 0.023,610 0.011,611 0.014,612 0.009,613 0.497,614 0.5,615 1,616 0.777,617 126.341,618 -0.032,619 -0.229,620 0.064,621 -0.085,622 -0.018,623 -0.01,624 0.242,625 0.233,626 0.093,627 0.161,628 0.129,629 0.11,630 -0.083,631 -0.259,632 -0.121,633 -0.202,634 -0.028,635 -0.176,636 -0.037,637 0.043,638 0.004,639 -0.031,640 0.058,641 0.001,642 -0.04,643 -0.203,644 -0.041,645 -0.222,646 -0.034,647 -0.145,648 -0.288,649 0.164,650 -0.034,651 0.247,652 -0.326,653 0.159,654 0.184,655 -0.05,656 0.068,657 -0.025,658 0.059,659 -0.011,660 -0.21,661 0.21,662 -0.186,663 0.114,664 -0.248,665 -0.01,666 2.202,667 5.154,668 0.692,669 22.74,670 1.005,671 1.125,672 2.635,673 6.944,674 0.665,675 3.401,676 3.784,677 4.127,678 4.489,679 4.71,680 4.779,681 4.956,682 5.043,683 5.037,684 5.081,685 6.111,686 0.637,687 351.44,688 3.401,689 4.977,690 5.866,691 6.797,692 7.714,693 8.656,694 9.588,695 10.537,696 11.479,697 12.433,698 6.4,701 1,705 2,715 8,720 4,722 12,737 1,741 47,743 14,744 2,745 29,747 50,748 20,749 12,750 4,751 8,756 4,757 7,763 1,764 1,766 1,767 1,770 1,772 14,773 6,777 2,782 2,784 1,786 1,789 1,790 1,793 21,794 6,795 1,796 6,802 3,808 0.5,809 3,825 1,828 2,829 2,831 1,832 1,835 1,844 1,855 1,859 2,864 2,868 26,876 2,877 1,878 1,880 1,881 2,882 1,893 6.4,896 2,898 1,901 13.417,902 8.983,903 5.653,904 2.744,907 2.178,908 1.285,909 0.968,910 4.213,911 9.813,912 3.638,913 4.19,914 4.718,915 5.293,916 5.787,917 5.947,918 6.314,919 6.593,920 6.708,921 6.913,922 0.857,923 45,924 9.633,926 4.201,927 0.026,929 7.804,931 18.382,933 15.601,936 2.304,937 59.917,940 1,941 235.422,942 129.372,943 24.259,945 61.29,948 129.372,949 296.712,950 24.259,951 17.222,952 25.775,953 75.81,954 73.056,955 28.067,956 18.534,957 211.88,959 235.422,960 153.631,961 61.29,964 211.88,965 84.832,968 37.725,969 115.907,972 235.422,973 85.549,974 129.372,977 235.422,978 25.345,979 110.276,980 18.011,981 61.29,982 235.422,983 85.549,984 129.372,986 0.589,987 0.36,988 0.212,989 0.115,990 23,991 10,992 0.06,993 3,994 2,995 1.222,996 3.729,997 230.127,998 0.222,999 18,1000 118.211,1005 17.07,1006 6.417,1007 2.81,1009 85.549,1010 14.628,1015 3.077,1017 18.011,1018 450.343,1019 37,1024 23.824,1026 0.888,1028 -0.536,1031 47.24,1032 52.86,1034 0.279,1035 0.638,1036 0.82,1037 0.897,1038 0.918,1039 0.918,1040 4.92,1041 1.377,1042 5.905,1043 4.498,1044 4.466,1045 4.875,1046 2.617,1047 6.849,1048 4.391,1049 6.13,1050 1.139,1051 7.549,1052 3.072,1053 4.29,1054 4.691,1055 1.905,1056 8.233,1057 4.18,1058 7.459,1059 1,1060 9.315,1061 2.99,1062 6.213,1063 6.976,1064 3.618,1065 11.412,1066 6.07,1067 8.826,1068 0.887,1069 11.161,1070 2.136,1071 6.899,1072 7.575,1073 3.629,1074 13.71,1075 6.74,1076 10.232,1077 0.313,1078 13.064,1079 2.117,1080 8.363,1081 9.388,1082 4.946,1083 16.54,1084 8.181,1085 11.668,1086 0.023,1087 15.009,1088 0.549,1089 9.428,1090 10.365,1091 5.301,1092 19.146,1093 9.235,1094 13.129,1095 -0.246,1096 16.986,1097 0.059,1098 10.763,1099 11.98,1100 6.4,1101 21.9,1102 10.552,1103 3.742,1104 -0.548,1105 18.987,1106 -0.598,1107 11.983,1108 13.159,1109 6.934,1110 24.595,1111 11.759,1112 2.721,1113 15.361,1114 21.008,1115 -1.289,1116 13.292,1117 14.68,1118 7.906,1119 27.332,1120 13.05,1121 2.581,1122 9.065,1123 23.042,1124 4.213,1125 14.572,1126 15.972,1127 8.541,1128 30.053,1129 14.313,1130 2.477,1131 8.664,1132 25.087,1133 3.483,1134 15.881,1135 17.446,1136 9.437,1137 32.786,1138 15.604,1139 2.288,1140 7.562,1141 27.141,1142 3.306,1143 17.184,1144 18.802,1145 10.131,1146 35.515,1147 16.888,1148 1.922,1149 6.822,1150 29.202,1151 2.871,1152 18.497,1153 20.254,1154 10.982,1155 38.247,1156 18.181,1157 1.543,1158 5.123,1159 31.267,1160 2.636,1161 19.809,1162 21.645,1163 11.71,1164 40.978,1165 19.473,1166 7563,1167 12285,1168 19.186,1169 31.233,1170 44.885,1171 46.633,1172 46.568,1173 44.131,1174 44.027,1175 54.456,1176 9.855,1177 136.031,1178 42.483,1179 5.804,1180 5.991,1181 7.814,1182 5.807,1183 5.742,1184 7.213,1185 3.889,1186 23.897,1187 5.66,1188 12.692,1189 1.548,1190 1.608,1191 1.606,1192 1.522,1193 1.518,1194 1.878,1195 0.34,1196 4.691,1197 1.465,1198 4.093,1199 4.128,1200 4.043,1201 3.995,1202 7.453,1203 4.002,1204 3.899,1205 3.934,1206 3.832,1207 3.821,1208 7.434,1209 3.818,1210 3.699,1211 3.741,1212 3.615,1213 3.563,1214 4.836,1215 3.566,1216 3.406,1217 3.431,1218 3.347,1219 3.111,1220 4.754,1221 3.166,1222 3.301,1223 3.356,1224 3.226,1225 3.045,1226 4.423,1227 3.064,1228 3.231,1229 3.305,1230 3.036,1231 2.994,1232 4.131,1233 3.012,1234 2.979,1235 3.092,1236 2.751,1237 2.761,1238 3.889,1239 2.73,1240 2.854,1241 2.925,1242 2.694,1243 2.735,1244 3.839,1245 2.715,1246 0.167,1247 0.138,1248 0.276,1249 0.163,1250 0.129,1251 4.839,1252 0.145,1253 3.991,1254 0.075,1255 8.012,1256 0.53,1257 4.719,1258 0.126,1259 3.742,1260 4.213,1261 2.186,1262 15.361,1263 3.66,1264 1.907,1265 1.887,1266 2.014,1267 2.01,1268 1.31,1269 2.008,1270 1.88,1271 1.85,1272 1.998,1273 1.968,1274 1.061,1275 1.979,1276 1.625,1277 1.575,1278 1.811,1279 1.83,1280 1.034,1281 1.821,1282 1.532,1283 1.452,1284 1.782,1285 1.753,1286 1.007,1287 1.773,1288 1.226,1289 1.2,1290 1.453,1291 1.554,1292 0.563,1293 1.495,1294 1.117,1295 1.069,1296 1.39,1297 1.423,1298 0.448,1299 1.396,1300 1.014,1301 0.899,1302 1.308,1303 1.291,1304 0.28,1305 1.353,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 4.078,1314 5.442,1315 3.045,1316 7.011,1317 5.638,1318 8.681,1319 7.928,1320 10.412,1322 4.195,1328 1.871,1329 2.705,1330 5.462,1332 0.003,1333 3.965,1334 -0.166,1340 29.95,1341 72.879,1342 166.483,1343 214.046,1344 234.046,1345 239.556,1346 239.556,1347 43.571,1348 7.634,1349 61.88,1350 61.88,1351 22,1352 12.922,1353 3.907,1354 3.17,1355 38.158,1356 97,1357 100,1358 0.2,1359 181.996,1360 321.57,1361 435.831,1362 20795,1364 18.311,1365 0.704,1366 0.569,1367 18.311,1368 14.807,1369 12.525,1370 0.432,1371 0.298,1372 8.517,1373 11.996,1374 8.266,1375 6.855,1376 12.525,1377 8.651,1378 11.65,1379 0.271,1380 0.165,1381 11.65,1382 7.094,1383 10.051,1384 0.165,1385 0.089,1386 10.051,1387 5.44,1388 9.125,1389 0.104,1390 0.048,1391 9.125,1392 4.219,1393 7.421,1394 0.067,1395 0.026,1396 7.421,1397 2.886,1398 0.311,1399 78.856,1400 0.228,1401 24.933,1402 0.553,1403 144,1404 414.83,1405 159.242,1406 396.122,1407 541.25,1408 370,1409 176,1410 400.524,1411 191.137,1412 405.612,1413 598.26,1414 379,1415 6.108}
{0 CHEMBL100510,1 1.532,2 15.7,3 4.217,4 17.782,5 125.894,6 7.397,7 0.531,8 4.109,9 4.233,10 3.667,11 3.673,12 5.175,13 3.628,14 4.632,15 4.811,16 3.978,17 4.026,18 5.664,19 3.955,20 4.864,21 5.072,22 3.99,23 4.178,24 5.844,25 4.051,26 4.934,27 5.184,28 3.95,29 4.113,30 5.909,31 3.962,32 4.858,33 5.111,34 3.87,35 4,36 5.812,37 3.859,38 4.741,39 4.981,40 3.782,41 3.935,42 5.72,43 3.785,44 4.725,45 4.975,46 3.711,47 3.864,48 5.715,49 3.698,50 4.596,51 4.857,52 3.622,53 3.766,54 5.494,55 3.601,56 0.041,57 0.793,58 11.886,59 5.237,60 8.102,61 6.956,62 0.303,63 1.285,64 23.242,65 8.259,66 27.259,67 11.297,68 0.34,69 1.535,70 31.23,71 11.913,72 37.732,73 15.615,74 0.332,75 1.594,76 36.281,77 12.84,78 55.976,79 16.963,80 0.416,81 1.46,82 34.702,83 11.439,84 50.399,85 14.842,86 0.277,87 1.333,88 29.962,89 10.503,90 42.414,91 13.48,92 0.392,93 1.278,94 31.263,95 10.489,96 55.616,97 13.268,98 0.283,99 1.167,100 28.176,101 9.127,102 35.655,103 11.783,104 10,105 41,106 0.25,107 0.546,108 0.701,109 0.824,110 0.871,111 0.882,112 3.439,113 0.976,114 -4.4,115 -4.33,116 -4.08,121 42.1,126 1,127 5,144 12,145 4,160 1,161 1,176 17,180 2,183 1,184 1,185 1,187 20,191 1,192 4,195 1,197 2,200 15,206 4,209 1,211 3,214 6,219 4,222 1,224 4,227 2,232 4,235 1,237 4,243 1,244 4,249 3,256 3,259 1,261 3,269 2,274 3,281 1660,282 20.397,283 20.397,284 20.397,285 20.397,286 20.397,287 18.132,288 17.533,289 12.679,290 20.851,291 15.848,292 15.848,293 15.848,294 15.848,295 15.848,296 12.461,297 20.033,298 6.115,299 16.543,300 4.301,301 2.494,302 1.546,303 0.792,304 0.504,305 0.434,306 4.125,311 1,312 1,313 1006,314 4.359,318 321.63,322 166.272,325 2.407,326 20.953,329 1,330 1,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.88,337 63.5,338 471,339 4.437,340 3.834,341 6.254,342 3.982,343 2.981,344 4.352,345 1.773,346 9.433,347 2.982,348 4.007,349 3.467,350 5.92,351 3.628,352 2.644,353 3.455,354 0.99,355 8.25,356 2.611,357 3.927,358 2.95,359 5.484,360 3.596,361 2.625,362 3.432,363 0.916,364 7.392,365 2.558,366 3.581,367 2.86,368 5.036,369 3.143,370 2.246,371 2.791,372 0.86,373 6.053,374 2.024,375 3.294,376 2.463,377 4.819,378 3.097,379 2.161,380 2.427,381 0.172,382 5.518,383 1.978,384 3.118,385 2.239,386 4.436,387 2.618,388 1.693,389 2.364,390 0.14,391 4.405,392 1.618,393 2.994,394 1.911,395 4.049,396 2.596,397 1.618,398 2.189,400 3.618,401 1.54,402 2.858,403 1.618,404 3.735,405 2.476,406 1.485,407 1.969,409 3.295,410 1.457,411 2.738,412 1.577,413 3.601,414 2.394,415 1.41,416 1.768,418 3.007,419 1.375,420 2.657,421 1.477,422 3.562,423 2.205,424 1.216,425 1.643,427 2.854,428 1.188,429 2.5,430 1.379,431 3.247,432 2,433 1,434 1.5,436 2.136,437 1,438 2.149,439 1,440 3.194,441 1.906,442 0.973,443 1.045,445 2.057,446 0.897,447 2.071,448 0.941,449 3.133,450 1.645,451 0.645,452 0.954,454 1.512,455 0.644,456 1.36,457 0.738,458 2.767,459 1.178,460 0.274,461 0.288,463 0.6,464 0.245,465 1.032,466 0.67,467 2.498,468 0.78,469 -0.182,470 -0.206,472 -0.435,473 -0.174,474 14.7,475 0.49,476 0.558,477 0.019,478 37,479 1.233,480 18.5,481 0.617,482 18.5,483 0.617,484 23.896,485 0.797,486 32.1,487 0.563,488 27.961,489 0.932,490 7.855,491 0.262,492 6.76,493 0.225,494 0.113,496 0.231,501 0.844,502 1.241,503 0.729,504 0.962,505 0.627,506 0.96,507 1.173,508 0.986,509 0.867,510 0.884,511 0.687,512 0.941,513 1.014,514 1.051,515 1.039,516 1.043,517 0.93,518 1.082,519 0.936,520 1.064,521 0.945,522 1.038,523 0.981,524 1,525 1.338,526 0.927,527 0.996,528 0.914,529 1.126,530 0.891,531 1.244,532 1.026,533 1.087,534 1.041,535 1.345,536 1.022,537 1.292,538 1.021,539 1.152,540 1.028,541 1.372,542 0.972,543 1.144,544 0.922,545 1.15,546 1.009,547 0.891,548 0.912,549 5,550 0.111,551 2.444,552 1.375,553 1.347,554 0.632,555 0.386,556 0.28,557 0.193,558 0.092,559 15116,560 37396,561 2.051,562 47.4,564 25,567 2,572 1.718,573 1.957,574 3.914,575 0.177,577 1,582 87.299,583 1.532,584 3.339,585 4.287,586 5.041,587 5.328,588 5.399,589 3.365,590 4.482,591 4.881,592 4.114,593 1789.76,594 8.453,595 28445.3,597 1,600 332.475,601 1.212,602 4.855,603 0.156,604 0.006,605 0.06,606 0.034,607 0.038,608 0.02,609 0.013,610 0.011,611 0.008,612 0.004,613 0.35,614 0.17,615 1,616 0.496,617 161.868,618 -0.026,619 -0.117,620 0.028,621 -0.037,622 -0.046,623 -0.002,624 -0.023,625 0.099,626 -0.02,627 0.019,628 0.029,629 -0.007,630 0.009,631 -0.042,632 -0.106,633 -0.074,634 -0.024,635 -0.109,636 0.073,637 -0.098,638 0.057,639 -0.059,640 0.123,641 -0.019,642 -0.031,643 0.049,644 0.056,645 0.06,646 -0.002,647 0.067,648 -0.061,649 -0.028,650 -0.027,651 -0.042,652 -0.054,653 -0.055,654 0.037,655 -0.046,656 -0.004,657 0.007,658 0.003,659 -0.001,660 -0.034,661 0.092,662 0.033,663 0.047,664 -0.026,665 0.067,666 1.887,667 5.384,668 0.533,669 36.356,670 0.994,671 1.12,672 3.169,673 10.045,674 0.679,675 3.497,676 3.738,677 3.912,678 4.094,679 4.263,680 4.19,681 4.234,682 4.248,683 4.248,684 4.007,685 9.2,686 0.632,687 421.61,688 3.497,689 4.99,690 5.79,691 6.619,692 7.434,693 8.269,694 9.093,695 9.932,696 10.762,697 11.604,698 5.3,701 1,705 2,714 2,715 12,720 2,722 17,741 57,743 19,744 3,745 32,747 59,748 24,749 16,750 4,751 12,752 1,756 3,757 4,761 1,772 18,773 6,777 2,782 1,783 1,786 2,790 1,793 27,794 5,795 2,796 6,797 1,802 3,805 1,808 0.667,809 2,829 3,833 1,855 1,858 1,859 2,862 1,864 1,868 30,876 5,877 2,878 1,881 1,893 3.5,896 1,897 1,901 15.333,902 10.2,903 6.806,904 3.268,907 2.9,908 1.406,909 0.968,910 8.63,911 10.036,912 3.773,913 4.29,914 4.796,915 5.331,916 5.872,917 6.022,918 6.364,919 6.645,920 6.928,921 6.476,922 1,923 40,924 11.072,926 4.49,927 0.026,929 7.656,931 21.329,933 16.759,936 2.156,937 64.667,940 1,941 294.278,942 199.312,943 39.146,945 36.145,947 45.192,948 154.119,949 330.422,950 39.146,951 8.396,952 51.523,953 113.715,954 40.849,955 14.641,956 0.285,957 294.278,958 45.192,959 294.278,960 193.265,961 36.145,962 45.192,964 294.278,965 25.145,966 11,968 54.648,969 138.618,971 45.192,972 294.278,973 75.291,974 199.312,977 294.278,978 32.008,979 125.236,980 36.022,981 81.337,982 294.278,983 75.291,984 199.312,986 0.56,987 0.31,988 0.164,989 0.087,990 16,991 7,992 0.153,993 9,994 1,995 1.125,996 4.452,997 232.41,998 0.125,999 16,1000 143.207,1002 1,1005 22.223,1006 11.65,1007 7.386,1008 2.121,1009 75.291,1010 23.887,1015 1.865,1017 36.022,1018 568.88,1019 42.5,1024 12.384,1025 5.212,1028 0.083,1031 56.64,1032 63.816,1034 0.263,1035 0.572,1036 0.735,1037 0.864,1038 0.914,1039 0.926,1040 4.958,1041 1.485,1042 5.72,1043 3.618,1044 4.419,1045 4.977,1046 2.429,1047 6.415,1048 4.35,1049 6.117,1050 1.41,1051 7.203,1052 3.295,1053 3.761,1054 4.59,1055 1.404,1056 7.066,1057 3.67,1058 7.379,1059 1.216,1060 8.785,1061 3.007,1062 5.894,1063 7.098,1064 2.932,1065 10.138,1066 5.783,1067 8.677,1068 1,1069 10.428,1070 2.854,1071 6.066,1072 7.582,1073 2.615,1074 11.655,1075 5.96,1076 10.008,1077 0.973,1078 12.112,1079 2.136,1080 7.629,1081 9.548,1082 3.758,1083 14.204,1084 7.504,1085 11.365,1086 0.645,1087 13.826,1088 2.057,1089 8.223,1090 10.486,1091 3.838,1092 16.097,1093 8.117,1094 12.742,1095 0.274,1096 15.56,1097 1.512,1098 9.518,1099 12.195,1100 4.753,1101 18.447,1102 9.398,1103 2.981,1104 -0.182,1105 17.311,1106 0.6,1107 10.336,1108 13.381,1109 5.046,1110 20.513,1111 10.236,1112 2.644,1113 9.433,1114 19.073,1115 -0.435,1116 11.503,1117 14.961,1118 5.824,1119 22.785,1120 11.397,1121 2.625,1122 8.25,1123 20.845,1124 4.352,1125 12.44,1126 16.281,1127 6.233,1128 24.933,1129 12.35,1130 2.246,1131 7.392,1132 22.624,1133 3.455,1134 13.549,1135 17.799,1136 6.93,1137 27.176,1138 13.457,1139 2.161,1140 6.053,1141 24.41,1142 3.432,1143 14.549,1144 19.19,1145 7.405,1146 29.365,1147 14.469,1148 1.693,1149 5.518,1150 26.201,1151 2.791,1152 15.633,1153 20.68,1154 8.054,1155 31.598,1156 15.554,1157 1.618,1158 4.405,1159 27.996,1160 2.427,1161 16.667,1162 22.108,1163 8.567,1164 33.808,1165 16.597,1166 14435,1167 22883,1168 21.553,1169 38.711,1170 46.193,1171 48.498,1172 46.725,1173 45.979,1174 45.945,1175 60.35,1176 9.705,1177 120.257,1178 44.232,1179 5.406,1180 5.834,1181 6.081,1182 5.058,1183 4.981,1184 7.352,1185 3.162,1186 15.851,1187 4.982,1188 12.561,1189 1.444,1190 1.516,1191 1.46,1192 1.437,1193 1.436,1194 1.886,1195 0.303,1196 3.758,1197 1.382,1198 4.089,1199 4.109,1200 4.054,1201 4.049,1202 7.429,1203 4.044,1204 3.925,1205 3.964,1206 3.909,1207 3.855,1208 4.901,1209 3.849,1210 3.71,1211 3.764,1212 3.845,1213 3.546,1214 4.833,1215 3.534,1216 3.623,1217 3.679,1218 3.526,1219 3.448,1220 4.756,1221 3.455,1222 3.512,1223 3.567,1224 3.467,1225 3.373,1226 4.57,1227 3.352,1228 3.311,1229 3.363,1230 3.286,1231 3.159,1232 4.288,1233 3.133,1234 3.149,1235 3.223,1236 3.051,1237 2.986,1238 4.174,1239 2.976,1240 3.037,1241 3.09,1242 2.939,1243 2.943,1244 3.853,1245 2.914,1246 0.139,1247 0.12,1248 0.195,1249 0.124,1250 0.093,1251 4.437,1252 0.136,1253 3.834,1254 0.055,1255 6.254,1256 0.295,1257 3.982,1258 0.093,1259 2.981,1260 4.352,1261 1.773,1262 9.433,1263 2.982,1264 2.074,1265 2.057,1266 2.156,1267 2.13,1268 1.285,1269 2.139,1270 1.915,1271 1.883,1272 2.049,1273 2.017,1274 1.209,1275 2.03,1276 1.632,1277 1.578,1278 1.859,1279 1.873,1280 1.068,1281 1.873,1282 1.569,1283 1.525,1284 1.758,1285 1.777,1286 0.983,1287 1.781,1288 1.489,1289 1.424,1290 1.677,1291 1.673,1292 0.732,1293 1.674,1294 1.248,1295 1.201,1296 1.525,1297 1.481,1298 0.692,1299 1.499,1300 1.14,1301 1.072,1302 1.359,1303 1.371,1304 0.5,1305 1.393,1306 1.052,1307 1.003,1308 1.342,1309 1.222,1310 0.385,1311 1.274,1312 4.174,1314 5.434,1316 6.878,1318 8.41,1320 9.991,1322 2.075,1328 3.441,1329 5.724,1330 5.654,1333 2.219,1340 36.002,1341 87.299,1342 190.33,1343 244.336,1344 287.355,1345 303.72,1346 307.72,1347 53.028,1348 7.136,1349 53.6,1350 85.69,1351 18,1352 12.17,1353 4.322,1354 3.524,1355 56.046,1356 169,1357 148,1358 0.154,1359 229.039,1360 396.67,1361 550.615,1362 14494,1364 21.184,1365 0.706,1366 0.598,1367 21.684,1368 17.952,1369 14.614,1370 0.457,1371 0.325,1372 9.908,1373 13.907,1374 9.609,1375 8.011,1376 14.903,1377 10.407,1378 12.532,1379 0.306,1380 0.183,1381 12.941,1382 7.516,1383 9.763,1384 0.199,1385 0.101,1386 10.026,1387 4.93,1388 7.82,1389 0.133,1390 0.056,1391 8.108,1392 3.278,1393 6.029,1394 0.086,1395 0.03,1396 6.198,1397 2.122,1398 0.26,1399 93.709,1400 0.215,1401 29.809,1402 0.38,1403 146,1404 404.642,1405 170.595,1406 416.908,1407 555.46,1408 390,1409 163,1410 375.348,1411 181.775,1412 394.751,1413 566.78,1414 369,1415 7}
{0 CHEMBL101028,1 1.804,2 15.759,3 5.557,4 30.876,5 111.954,6 8.067,7 0.4,8 4.057,9 4.176,10 3.662,11 3.516,12 5.188,13 3.511,14 4.617,15 4.79,16 4.072,17 3.835,18 6.236,19 3.811,20 4.753,21 4.965,22 3.888,23 3.987,24 5.744,25 3.876,26 4.846,27 5.1,28 3.927,29 3.967,30 5.876,31 3.841,32 4.833,33 5.084,34 3.911,35 3.889,36 5.998,37 3.783,38 4.692,39 4.941,40 3.667,41 3.796,42 5.722,43 3.664,44 4.643,45 4.91,46 3.636,47 3.693,48 5.642,49 3.543,50 4.554,51 4.821,52 3.552,53 3.572,54 5.553,55 3.459,56 0.147,57 0.934,58 10,59 4.948,60 22.312,61 5.898,62 1.35,63 1.642,64 23.561,65 7.339,66 166.667,67 9.45,68 0.589,69 1.412,70 27.914,71 10.079,72 46.85,73 12.953,74 0.578,75 1.553,76 33.631,77 11.287,78 57.69,79 14.647,80 0.904,81 1.583,82 37.289,83 10.778,84 92.471,85 12.832,86 0.654,87 1.314,88 29.17,89 9.617,90 75.924,91 11.861,92 0.654,93 1.082,94 29.097,95 8.861,96 59.583,97 12.246,98 0.638,99 1.054,100 27.628,101 7.747,102 67.393,103 9.946,104 28,105 39,106 0.304,107 0.597,108 0.747,109 0.831,110 0.853,111 0.853,112 3.406,113 0.943,114 -3.95,115 -3.91,116 -3.71,121 37.7,126 1,127 5,135 1,144 9,145 1,146 2,161 1,176 8,180 3,184 1,185 2,187 8,191 1,192 4,195 1,197 2,200 5,206 2,211 2,219 2,222 2,224 2,232 2,235 1,244 4,247 1,256 3,259 1,261 1,274 2,281 1570,282 18.93,283 18.93,284 18.93,285 18.93,286 18.93,287 17.301,288 24.688,289 11.726,290 19.85,291 14.887,292 14.887,293 14.887,294 14.887,295 14.887,296 12.505,297 31.187,298 5.711,299 16.497,300 3.924,301 2.187,302 1.298,303 0.797,304 0.67,305 0.67,306 4.073,311 1,312 1,313 938,314 4.743,318 247.432,325 2.542,326 35.246,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 66,338 457,339 4.206,340 4.437,341 6.455,342 3.9,343 3.139,344 3.669,345 4.032,346 10.195,347 2.591,348 3.974,349 3.785,350 5.533,351 3.596,352 2.662,353 3.455,354 1.762,355 7.527,356 2.558,357 3.927,358 2.95,359 5.484,360 3.592,361 2.625,362 3.145,363 0.916,364 7.392,365 2.311,366 3.633,367 2.77,368 5.165,369 3.205,370 2.312,371 2.842,372 0.86,373 6.476,374 2.029,375 3.296,376 2.464,377 4.819,378 3.102,379 2.164,380 2.483,381 0.394,382 5.518,383 2.012,384 3.274,385 2.35,386 4.754,387 2.866,388 1.946,389 2.363,390 0.247,391 5.323,392 1.768,393 2.857,394 2.239,395 3.753,396 2.543,397 1.656,398 1.968,399 0.172,400 3.435,401 1.474,402 2.674,403 1.577,404 3.57,405 2.391,406 1.41,407 1.675,409 3.008,410 1.363,411 2.5,412 1.477,413 3.414,414 2,415 1.013,416 1.5,418 2.275,419 1,420 2.5,421 1,422 3.247,423 2,424 1,425 1.5,427 2.136,428 1,429 2.077,430 1,431 3.243,432 1.93,433 1,434 1.051,436 2.135,437 0.921,438 1.485,439 0.904,440 3.116,441 1.254,442 0.348,443 0.369,445 0.817,446 0.313,447 1.35,448 0.768,449 2.805,450 1.039,451 0.155,452 0.177,454 0.368,455 0.135,456 1.015,457 0.51,458 2.5,459 0.768,460 -0.187,461 -0.212,463 -0.447,464 -0.177,465 0.852,466 0.51,467 2.125,468 0.484,469 -0.4,470 -0.446,472 -1.088,473 -0.346,474 13.557,475 0.467,476 0.771,477 0.027,478 32.5,479 1.121,480 14,481 0.483,482 18.5,483 0.638,484 23.976,485 0.827,486 33.843,487 0.639,488 26.487,489 0.913,490 7.138,491 0.246,492 6.677,493 0.23,494 0.162,495 0.037,496 0.177,500 3,501 0.695,502 1.13,503 0.656,504 1.08,505 0.613,506 1.031,507 0.509,508 0.669,509 0.746,510 0.852,511 0.27,512 0.953,513 0.597,514 0.772,515 0.976,516 1.048,517 0.387,518 1.138,519 0.598,520 0.901,521 0.842,522 1.032,523 0.458,524 1.007,525 1.023,526 0.952,527 1.145,528 1.015,529 0.954,530 0.945,531 0.889,532 0.887,533 1.066,534 1.035,535 0.88,536 1.101,537 0.39,538 0.621,539 0.818,540 1.039,541 0.299,542 1.034,543 0.9,544 0.751,545 0.958,546 0.869,547 0.734,548 0.844,549 7,550 0.14,551 1.778,552 1.563,553 1.253,554 0.493,555 0.525,556 0.181,557 0.263,558 0.091,559 13234,560 46579,561 1.949,562 45.3,564 22,567 2,572 1.708,573 1.822,574 3.899,575 0.296,582 95.592,583 1.804,584 3.541,585 4.43,586 4.93,587 5.058,588 5.058,589 3.375,590 4.349,591 4.831,592 4.147,593 1683.79,594 8.349,595 26651.2,600 303.58,601 1.469,602 4.777,603 0.233,604 0.007,605 0.046,606 0.046,607 0.038,608 0.016,609 0.021,610 0.008,611 0.012,612 0.004,613 0.431,614 0.33,615 1,616 0.94,617 155.89,618 -0.055,619 -0.155,620 0.018,621 -0.102,622 -0.097,623 -0.04,624 0.515,625 0.34,626 0.089,627 0.057,628 0.594,629 -0.032,630 -0.013,631 -0.049,632 -0.107,633 -0.08,635 -0.13,636 0.024,637 -0.169,638 0.113,639 -0.057,640 0.087,641 0.021,642 -0.082,643 -0.037,644 -0.032,645 0.015,646 -0.04,647 0.042,648 -0.087,649 -0.016,650 -0.102,651 -0.062,652 -0.092,653 -0.098,654 0.207,655 0.015,656 0.147,657 -0.089,658 0.141,659 -0.008,660 -0.068,661 -0.001,662 0.078,663 0.083,664 -0.04,665 0.144,666 5.956,667 4.139,668 0.414,669 37.817,670 1.022,671 1.148,672 2.724,673 7.418,674 0.651,675 3.434,676 3.689,677 3.714,678 3.892,679 3.989,680 3.85,681 3.951,682 3.892,683 3.761,684 3.555,685 9.373,686 0.626,687 427.54,688 3.434,689 4.934,690 5.694,691 6.526,692 7.299,693 8.133,694 8.913,695 9.747,696 10.533,697 11.365,698 5.7,701 1,705 2,715 9,720 3,722 12,739 1,741 53,743 13,744 2,745 30,747 54,748 20,749 12,750 3,751 9,756 2,757 2,761 1,772 13,773 7,777 1,783 1,786 1,791 3,793 24,794 8,795 2,796 9,797 1,802 3,808 1,809 2,829 2,855 1,858 1,859 2,862 1,864 1,866 3,868 29,876 5,877 2,878 2,881 1,882 1,892 3,893 3.8,897 1,898 1,901 15.917,902 9.379,903 6.458,904 2.903,907 1.801,908 1.268,909 0.934,910 9.675,911 8.53,912 3.638,913 4.094,914 4.407,915 4.871,916 5.306,917 5.127,918 5.353,919 5.418,920 5.09,921 4.778,922 1,923 34,924 11.193,926 4.896,927 0.026,929 8.158,931 19.77,933 15.011,936 2.658,937 77.083,941 258.964,942 175.664,943 39.146,945 22,946 44.88,947 45.192,948 130.472,949 280.964,950 84.026,951 8.396,952 51.523,953 85.286,954 11,955 70.19,956 0.285,957 258.964,958 55.009,959 258.964,960 169.618,961 66.88,962 45.192,964 258.964,965 11,966 55.88,967 9.817,968 54.648,969 105.153,971 45.192,972 303.845,973 61.146,974 175.664,977 268.782,978 26.972,979 96.807,980 36.022,981 112.072,982 258.964,983 106.026,984 175.664,986 0.567,987 0.277,988 0.145,989 0.078,990 14,991 7,992 0.185,993 10,995 1,996 4.301,997 210.883,999 12,1000 128.127,1002 1,1005 23.422,1006 11.979,1007 10.474,1009 106.026,1010 15.553,1015 1.527,1017 36.022,1018 540.654,1019 37,1025 5.152,1028 0.36,1031 54.178,1032 60.835,1034 0.315,1035 0.618,1036 0.773,1037 0.861,1038 0.883,1039 0.883,1040 4.844,1041 1.41,1042 5.673,1043 3.435,1044 4.369,1045 4.779,1046 3.477,1047 6.372,1048 4.182,1049 6.005,1050 1.013,1051 7.163,1052 3.008,1053 4.007,1054 4.425,1055 4.095,1056 7.322,1057 3.529,1058 7.269,1059 1,1060 8.757,1061 2.275,1062 5.916,1063 6.756,1064 5.687,1065 10.168,1066 5.506,1067 8.559,1068 1,1069 10.414,1070 2.136,1071 6.312,1072 7.079,1073 6.964,1074 11.923,1075 5.559,1076 9.876,1077 0.348,1078 12.112,1079 2.135,1080 7.745,1081 8.99,1082 8.382,1083 14.37,1084 7.059,1085 11.21,1086 0.155,1087 13.84,1088 0.817,1089 8.5,1090 9.638,1091 9.76,1092 16.454,1093 7.474,1094 12.559,1095 -0.187,1096 15.589,1097 0.368,1098 9.74,1099 11.346,1100 11.157,1101 18.792,1102 8.733,1103 3.139,1104 -0.4,1105 17.356,1106 -0.447,1107 10.677,1108 12.188,1109 12.549,1110 21.013,1111 9.358,1112 2.662,1113 10.195,1114 19.137,1115 -1.088,1116 11.837,1117 13.77,1118 13.944,1119 23.327,1120 10.481,1121 2.625,1122 7.527,1123 20.93,1124 3.669,1125 12.869,1126 14.74,1127 15.338,1128 25.606,1129 11.231,1130 2.312,1131 7.392,1132 22.733,1133 3.455,1134 14,1135 16.236,1136 16.732,1137 27.917,1138 12.277,1139 2.164,1140 6.476,1141 24.545,1142 3.145,1143 15.08,1144 17.298,1145 18.126,1146 30.22,1147 13.103,1148 1.946,1149 5.518,1150 26.365,1151 2.842,1152 16.205,1153 18.732,1154 19.52,1155 32.535,1156 14.104,1157 1.656,1158 5.323,1159 28.191,1160 2.483,1161 17.31,1162 19.859,1163 20.915,1164 34.847,1165 14.976,1166 13154,1167 25206,1168 19.356,1169 34.523,1170 43.438,1171 43.228,1172 43.117,1173 43.179,1174 42.858,1175 52.397,1176 16.768,1177 113.207,1178 38.947,1179 5.169,1180 6.437,1181 6.282,1182 4.982,1183 5.139,1184 6.669,1185 5.542,1186 16.307,1187 4.591,1188 16.591,1189 1.448,1190 1.441,1191 1.437,1192 1.439,1193 1.429,1194 1.747,1195 0.559,1196 3.774,1197 1.298,1198 3.944,1199 3.98,1200 3.971,1201 3.864,1202 8.516,1203 3.859,1204 3.907,1205 3.938,1206 3.845,1207 3.827,1208 7.999,1209 3.826,1210 3.687,1211 3.743,1212 3.78,1213 3.49,1214 7.999,1215 3.484,1216 3.564,1217 3.637,1218 3.523,1219 3.393,1220 4.92,1221 3.371,1222 3.423,1223 3.456,1224 3.441,1225 3.155,1226 4.757,1227 3.14,1228 3.275,1229 3.329,1230 3.286,1231 2.964,1232 4.736,1233 3.026,1234 3.091,1235 3.17,1236 2.94,1237 2.918,1238 4.57,1239 2.908,1240 2.957,1241 3.052,1242 2.789,1243 2.77,1244 4.176,1245 2.743,1246 0.14,1247 0.148,1248 0.215,1249 0.13,1250 0.105,1251 4.206,1252 0.122,1253 4.437,1254 0.134,1255 6.455,1256 0.34,1257 3.9,1258 0.086,1259 3.139,1260 3.669,1261 4.032,1262 10.195,1263 2.591,1264 1.915,1265 1.883,1266 2.049,1267 2.017,1268 1.209,1269 2.03,1270 1.881,1271 1.857,1272 1.982,1273 1.995,1274 1.075,1275 1.992,1276 1.622,1277 1.561,1278 1.858,1279 1.864,1280 1.055,1281 1.866,1282 1.511,1283 1.439,1284 1.752,1285 1.749,1286 0.981,1287 1.76,1288 1.236,1289 1.191,1290 1.525,1291 1.56,1292 0.692,1293 1.504,1294 1.125,1295 1.065,1296 1.359,1297 1.461,1298 0.5,1299 1.414,1300 1,1301 0.963,1302 1.265,1303 1.289,1304 0.329,1305 1.288,1306 0.981,1307 0.9,1308 1.181,1309 1.221,1310 0.218,1311 1.273,1312 4.111,1314 5.38,1316 6.804,1318 8.296,1320 9.826,1322 2.04,1324 36.417,1328 3.28,1329 5.871,1330 9.408,1333 2.182,1334 -4.706,1340 33.152,1341 95.592,1342 187.661,1343 234.786,1344 261.315,1345 268.07,1346 268.07,1347 69.549,1348 6.729,1349 45.76,1350 77.85,1351 12,1352 11.947,1353 3.807,1354 3,1355 66.435,1356 166,1357 137,1358 0.187,1359 210.44,1360 376.86,1361 505.233,1362 8385,1363 5.7,1364 21.115,1365 0.728,1366 0.581,1367 19.115,1368 16.854,1369 13.815,1370 0.461,1371 0.314,1372 8.845,1373 12.761,1374 8.647,1375 7.175,1376 12.958,1377 9.434,1378 12.829,1379 0.329,1380 0.172,1381 10.881,1382 6.697,1383 8.207,1384 0.205,1385 0.101,1386 8.146,1387 4.037,1388 6.673,1389 0.139,1390 0.056,1391 6.28,1392 2.668,1393 4.976,1394 0.094,1395 0.031,1396 4.672,1397 1.633,1398 0.317,1399 91.351,1400 0.227,1401 29.156,1402 0.456,1403 138,1404 622.976,1405 183.43,1406 533.86,1407 677.43,1408 494,1409 148,1410 440.985,1411 177.166,1412 435.225,1413 645.53,1414 403,1415 6}
{0 CHEMBL101155,1 1.544,2 15,3 3.371,4 11.363,5 114.309,6 7.14,7 0.429,8 4.041,9 4.173,10 3.559,11 3.566,12 5.087,13 3.515,14 4.571,15 4.765,16 3.837,17 3.896,18 5.576,19 3.813,20 4.798,21 5.027,22 3.822,23 4.027,24 5.734,25 3.884,26 4.858,27 5.125,28 3.816,29 3.955,30 5.828,31 3.796,32 4.761,33 5.017,34 3.718,35 3.891,36 5.677,37 3.735,38 4.693,39 4.941,40 3.669,41 3.868,42 5.623,43 3.689,44 4.679,45 4.957,46 3.483,47 3.775,48 5.493,49 3.585,50 4.546,51 4.809,52 3.356,53 3.668,54 5.423,55 3.482,56 0.042,57 0.757,58 11.915,59 4.977,60 7.819,61 6.798,62 0.306,63 1.187,64 23.073,65 7.622,66 27.607,67 10.863,68 0.297,69 1.388,70 30.546,71 10.876,72 36.211,73 14.595,74 0.423,75 1.4,76 34.865,77 11.15,78 59.259,79 15.09,80 0.349,81 1.276,82 31.527,83 10.148,84 44.966,85 13.34,86 0.33,87 1.237,88 31.245,89 10.085,90 44.33,91 13.11,92 0.293,93 1.144,94 28.795,95 9.813,96 36.843,97 13.088,98 0.322,99 1.012,100 25.472,101 8.669,102 41.086,103 11.56,104 10,105 34,106 0.258,107 0.557,108 0.723,109 0.819,110 0.855,111 0.861,112 3.338,113 1.018,114 -3.9,115 -3.86,116 -3.66,121 38.9,123 1,126 1,127 5,144 10,145 2,160 1,161 1,176 12,180 3,183 1,184 1,185 2,187 12,191 1,192 4,197 2,200 6,206 4,209 2,211 4,219 4,224 3,232 3,235 1,237 2,239 1,244 2,247 1,249 1,251 3,255 1,256 2,264 4,269 2,272 1,274 1,277 3,281 1252,282 18.294,283 18.294,284 18.294,285 18.294,286 18.294,287 16.546,288 19.301,289 11.683,290 18.746,291 13.877,292 13.877,293 13.877,294 13.877,295 13.877,296 11.317,297 23.032,298 5.658,299 14.567,300 4.211,301 2.427,302 1.435,303 0.857,304 0.644,305 0.607,306 4.008,311 1,312 1,313 839,314 4.359,318 231.272,325 2.296,326 20.004,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 57.5,338 405,339 4.162,340 3.833,341 6.042,342 3.812,343 2.817,344 3.68,345 1.773,346 8.643,347 2.805,348 3.927,349 3.461,350 5.484,351 3.596,352 2.625,353 3.455,354 0.99,355 7.392,356 2.558,357 3.637,358 2.95,359 5.046,360 3.196,361 2.305,362 2.87,363 0.916,364 6.099,365 2.048,366 3.294,367 2.462,368 4.819,369 3.103,370 2.165,371 2.413,372 0.86,373 5.518,374 2.019,375 3.198,376 2.238,377 4.162,378 2.762,379 1.795,380 2.364,381 0.172,382 3.926,383 1.737,384 2.866,385 2.181,386 3.802,387 2.622,388 1.681,389 1.972,390 0.14,391 3.537,392 1.554,393 2.746,394 1.695,395 3.585,396 2.421,397 1.43,398 1.758,400 3.035,401 1.414,402 2.549,403 1.507,404 3.455,405 2.147,406 1.224,407 1.5,409 2.624,410 1.121,411 2.5,412 1.324,413 3.275,414 2,415 1,416 1.5,418 2.285,419 1,420 2.5,421 1.061,422 3.247,423 2,424 1,425 1.493,427 2.136,428 1,429 2.26,430 1,431 3.247,432 1.992,433 1,434 1.228,436 2.136,437 0.978,438 1.641,439 1,440 2.861,441 1.49,442 0.564,443 0.591,445 1.193,446 0.516,447 1.104,448 0.844,449 2.544,450 0.9,451 -0.037,452 -0.04,454 -0.087,455 -0.035,456 1,457 0.352,458 2.234,459 0.691,460 -0.266,461 -0.294,463 -0.598,464 -0.253,465 0.867,466 0.103,467 1.905,468 0.406,469 -0.51,470 -0.623,472 -1.198,473 -0.452,474 13.2,475 0.489,476 0.438,477 0.016,478 31,479 1.148,480 14.5,481 0.537,482 16.5,483 0.611,484 21.897,485 0.811,486 30,487 0.556,488 22.496,489 0.833,490 6.654,491 0.246,492 6.494,493 0.241,494 0.126,496 0.182,501 0.857,502 1.348,503 0.761,504 1.033,505 0.622,506 1.036,507 1.181,508 1.062,509 0.897,510 0.942,511 0.688,512 1.006,513 1.075,514 1.117,515 1.035,516 1.07,517 0.945,518 1.095,519 1.016,520 0.986,521 0.931,522 0.963,523 0.984,524 0.929,525 1.485,526 0.928,527 1.052,528 0.887,529 1.238,530 0.898,531 1.052,532 1.072,533 1.267,534 1.201,535 1.1,536 1.103,537 1.066,538 0.855,539 0.978,540 0.923,541 0.919,542 0.936,543 0.933,544 1.005,545 1.091,546 1.058,547 0.909,548 1.033,549 4,550 0.041,551 1.778,552 1.25,553 0.822,554 0.493,555 0.264,556 0.177,557 0.09,558 0.111,559 11136,560 28568,561 1.996,562 50,564 23,567 2,570 2,572 1.689,573 1.906,574 3.856,575 0.231,576 1,577 1,582 83.388,583 1.544,584 3.328,585 4.32,586 4.898,587 5.111,588 5.148,589 3.264,590 4.236,591 4.731,592 4.056,593 1423.62,594 8.145,595 21372.1,597 1,599 1,600 310.764,601 1.16,602 4.704,603 0.143,604 0.002,605 0.052,606 0.039,607 0.028,608 0.018,609 0.011,610 0.008,611 0.005,612 0.006,613 0.313,614 0.33,615 1,616 0.528,617 141.836,618 -0.025,619 -0.166,620 0.023,621 -0.064,622 -0.032,623 -0.024,624 -0.018,625 0.037,626 -0.031,627 -0.027,628 0.037,629 -0.052,630 -0.037,631 -0.112,632 -0.088,633 -0.098,634 -0.027,635 -0.116,636 0.107,637 -0.027,638 0.087,639 -0.002,640 0.163,641 0.029,642 -0.17,643 0.039,644 0.003,645 0.09,646 -0.089,647 0.054,648 -0.013,649 -0.049,650 -0.104,651 -0.126,652 -0.059,653 -0.118,654 -0.034,655 0.067,656 0.021,657 0.044,658 -0.044,659 0.036,660 0.094,661 -0.067,662 -0.066,663 -0.06,664 0.029,665 -0.051,666 1.87,667 4.956,668 0.444,669 30.903,670 0.993,671 1.126,672 2.674,673 7.151,674 0.661,675 3.367,676 3.555,677 3.664,678 3.784,679 3.85,680 3.638,681 3.611,682 3.526,683 3.434,684 3.367,685 8.883,686 0.611,687 385.58,688 3.367,689 4.828,690 5.595,691 6.392,692 7.171,693 7.972,694 8.757,695 9.56,696 10.347,697 11.151,698 5.6,701 1,705 2,715 10,720 2,722 12,741 54,743 14,744 2,745 28,747 55,748 21,749 12,750 2,751 10,752 1,756 2,757 2,761 1,770 1,772 14,773 7,777 2,782 1,783 1,786 2,790 1,793 27,794 5,795 2,796 6,797 1,802 3,805 1,808 1,809 2,829 2,855 1,858 1,859 2,862 1,864 1,868 27,876 6,877 2,878 1,881 1,893 3.7,896 1,897 1,901 14.167,902 9.533,903 6.278,904 3.122,907 1.671,908 1.258,909 0.937,910 9.839,911 8.139,912 3.611,913 4.025,914 4.401,915 4.814,916 5.187,917 4.861,918 4.984,919 4.841,920 4.792,921 4.512,922 0.9,923 32,924 9.96,926 3.924,927 0.026,929 7.679,931 19.182,933 14.634,936 2.179,937 58.833,939 1,940 1,941 294.278,942 177.748,943 39.146,945 36.145,947 45.192,948 132.556,949 330.422,950 39.146,951 8.396,952 54.058,953 94.762,954 40.849,955 9.495,956 0.285,957 294.278,958 45.192,959 294.278,960 171.701,961 36.145,962 45.192,964 270.735,965 48.687,966 11,968 57.182,969 114.519,971 45.192,972 294.278,973 75.291,974 177.748,977 294.278,978 29.397,979 106.283,980 36.022,981 81.337,982 294.278,983 75.291,984 177.748,986 0.548,987 0.296,988 0.153,989 0.078,990 11,991 5,992 0.182,993 10,995 1,996 4.203,997 188.077,999 12,1000 120.382,1002 1,1005 21.353,1006 12.441,1007 8.999,1009 75.291,1010 19.4,1015 1.889,1017 36.022,1018 547.316,1019 36,1024 11.956,1025 5.137,1028 0.136,1031 53.64,1032 60.816,1034 0.268,1035 0.578,1036 0.751,1037 0.851,1038 0.888,1039 0.895,1040 4.771,1041 1.224,1042 5.493,1043 3.035,1044 4.234,1045 4.71,1046 2.429,1047 6.116,1048 4.151,1049 5.885,1050 1,1051 6.93,1052 2.624,1053 3.434,1054 4.06,1055 1.404,1056 6.605,1057 3.305,1058 7.106,1059 1,1060 8.467,1061 2.285,1062 5.638,1063 6.646,1064 2.932,1065 9.67,1066 5.491,1067 8.359,1068 1,1069 10.066,1070 2.136,1071 5.673,1072 6.802,1073 2.615,1074 11.058,1075 5.511,1076 9.644,1077 0.564,1078 11.708,1079 2.136,1080 7.291,1081 8.869,1082 3.758,1083 13.574,1084 7.11,1085 10.953,1086 -0.037,1087 13.381,1088 1.193,1089 7.763,1090 9.436,1091 3.838,1092 15.354,1093 7.59,1094 12.28,1095 -0.266,1096 15.077,1097 -0.087,1098 9.087,1099 11.237,1100 4.753,1101 17.654,1102 8.895,1103 2.817,1104 -0.51,1105 16.791,1106 -0.598,1107 9.803,1108 12.044,1109 5.046,1110 19.62,1111 9.626,1112 2.625,1113 8.643,1114 18.517,1115 -1.198,1116 10.974,1117 13.681,1118 5.824,1119 21.83,1120 10.784,1121 2.305,1122 7.392,1123 20.254,1124 3.68,1125 11.825,1126 14.642,1127 6.233,1128 23.886,1129 11.65,1130 2.165,1131 6.099,1132 22,1133 3.455,1134 12.918,1135 16.171,1136 6.93,1137 26.059,1138 12.734,1139 1.795,1140 5.518,1141 23.752,1142 2.87,1143 13.845,1144 17.234,1145 7.405,1146 28.159,1147 13.672,1148 1.681,1149 3.926,1150 25.51,1151 2.413,1152 14.898,1153 18.689,1154 8.054,1155 30.318,1156 14.721,1157 1.43,1158 3.537,1159 27.274,1160 2.364,1161 15.867,1162 19.822,1163 8.567,1164 32.442,1165 15.697,1166 10948,1167 17703,1168 18.663,1169 35.711,1170 39.703,1171 41.452,1172 39.995,1173 39.31,1174 39.209,1175 49.645,1176 9.705,1177 97.044,1178 37.503,1179 5.134,1180 5.833,1181 5.906,1182 4.881,1183 4.817,1184 6.68,1185 3.162,1186 14.765,1187 4.805,1188 11.853,1189 1.418,1190 1.48,1191 1.428,1192 1.404,1193 1.4,1194 1.773,1195 0.347,1196 3.466,1197 1.339,1198 3.944,1199 3.98,1200 3.961,1201 3.869,1202 7.429,1203 3.864,1204 3.908,1205 3.939,1206 3.846,1207 3.841,1208 4.849,1209 3.836,1210 3.718,1211 3.776,1212 3.799,1213 3.548,1214 4.758,1215 3.533,1216 3.602,1217 3.676,1218 3.541,1219 3.416,1220 4.716,1221 3.408,1222 3.439,1223 3.49,1224 3.369,1225 3.285,1226 4.579,1227 3.257,1228 3.224,1229 3.291,1230 3.173,1231 3.006,1232 4.177,1233 3.008,1234 3.053,1235 3.108,1236 3.019,1237 2.94,1238 3.928,1239 2.906,1240 2.957,1241 3.051,1242 2.757,1243 2.779,1244 3.674,1245 2.752,1246 0.149,1247 0.137,1248 0.216,1249 0.136,1250 0.101,1251 4.162,1252 0.131,1253 3.833,1254 0.063,1255 6.042,1256 0.309,1257 3.812,1258 0.1,1259 2.817,1260 3.68,1261 1.773,1262 8.643,1263 2.805,1264 1.915,1265 1.883,1266 2.049,1267 2.017,1268 1.218,1269 2.03,1270 1.902,1271 1.877,1272 2.017,1273 1.995,1274 1.179,1275 2.003,1276 1.667,1277 1.608,1278 1.905,1279 1.89,1280 1.074,1281 1.899,1282 1.561,1283 1.487,1284 1.81,1285 1.789,1286 1.021,1287 1.803,1288 1.349,1289 1.308,1290 1.549,1291 1.596,1292 0.701,1293 1.587,1294 1.189,1295 1.118,1296 1.426,1297 1.454,1298 0.542,1299 1.468,1300 1.013,1301 0.969,1302 1.359,1303 1.253,1304 0.5,1305 1.278,1306 0.991,1307 0.903,1308 1.269,1309 1.221,1310 0.339,1311 1.265,1312 4.043,1314 5.263,1316 6.655,1318 8.125,1320 9.634,1322 2.089,1328 4.631,1329 5.695,1330 5.662,1333 2.238,1340 33.003,1341 83.388,1342 179.722,1343 233.28,1344 264.499,1345 276.009,1346 278.009,1347 54.395,1348 6.468,1349 53.6,1350 85.69,1351 12,1352 11.749,1353 3.907,1354 3.17,1355 59.235,1356 148,1357 116,1358 0.186,1359 213.51,1360 373.31,1361 512.724,1362 6042,1364 19.322,1365 0.716,1366 0.611,1367 19.822,1368 16.505,1369 13.148,1370 0.47,1371 0.339,1372 9.003,1373 12.44,1374 8.731,1375 7.31,1376 13.437,1377 9.502,1378 10.906,1379 0.321,1380 0.196,1381 11.315,1382 6.674,1383 8.083,1384 0.213,1385 0.11,1386 8.345,1387 4.173,1388 6.274,1389 0.146,1390 0.062,1391 6.562,1392 2.677,1393 4.498,1394 0.098,1395 0.036,1396 4.666,1397 1.676,1398 0.316,1399 84.911,1400 0.231,1401 27.52,1402 0.454,1403 124,1404 358.642,1405 148.595,1406 368.585,1407 482.36,1408 344,1409 134,1410 315.348,1411 152.72,1412 331.742,1413 471.73,1414 309,1415 5.959}
{0 CHEMBL101518,1 1.687,2 14.852,3 3.973,4 15.784,5 114.249,6 7.961,7 0.429,8 3.995,9 4.118,10 3.606,11 3.54,12 5.076,13 3.494,14 4.517,15 4.699,16 3.928,17 3.876,18 5.581,19 3.802,20 4.739,21 4.946,22 3.924,23 4.017,24 5.757,25 3.88,26 4.793,27 5.045,28 3.856,29 3.93,30 5.807,31 3.775,32 4.71,33 4.962,34 3.776,35 3.834,36 5.678,37 3.694,38 4.616,39 4.853,40 3.776,41 3.82,42 5.634,43 3.658,44 4.609,45 4.864,46 3.564,47 3.743,48 5.542,49 3.552,50 4.47,51 4.736,52 3.645,53 3.608,54 5.377,55 3.438,56 0.025,57 0.708,58 10.009,59 4.584,60 6.625,61 6.007,62 0.298,63 1.111,64 21.11,65 7.215,66 26.664,67 9.699,68 0.364,69 1.285,70 30.698,71 10.557,72 39.831,73 13.421,74 0.359,75 1.311,76 35.261,77 11.186,78 58.723,79 14.359,80 0.449,81 1.211,82 31.61,83 9.765,84 50.518,85 12.299,86 0.372,87 1.13,88 28.641,89 9.478,90 49.825,91 11.984,92 0.372,93 1.08,94 30.699,95 9.848,96 49.271,97 12.299,98 0.314,99 0.937,100 29.176,101 8.124,102 36.343,103 10.461,104 17,105 35,106 0.286,107 0.591,108 0.748,109 0.836,110 0.858,111 0.858,112 3.338,113 1.016,114 -4.17,115 -4.12,116 -3.89,121 39.2,126 1,127 5,144 9,145 2,146 1,160 1,161 1,176 10,180 2,183 1,184 1,185 1,187 12,191 1,192 4,195 1,197 2,200 7,206 4,209 1,211 3,214 1,219 2,222 1,224 2,232 3,235 1,237 3,243 1,244 3,256 3,259 1,261 2,269 2,274 2,281 1244,282 18.035,283 18.035,284 18.035,285 18.035,286 18.035,287 16.261,288 19.134,289 11.269,290 18.626,291 13.843,292 13.843,293 13.843,294 13.843,295 13.843,296 11.221,297 20.674,298 5.444,299 14.815,300 3.985,301 2.18,302 1.256,303 0.735,304 0.603,305 0.603,306 4.006,308 1,311 1,312 1,313 829,314 4.301,318 229.167,325 2.25,326 22.871,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 57.833,338 401,339 4.195,340 3.833,341 6.049,342 3.829,343 2.839,344 3.762,345 1.773,346 8.671,347 2.812,348 3.927,349 3.464,350 5.484,351 3.596,352 2.625,353 3.455,354 0.99,355 7.392,356 2.558,357 3.741,358 2.95,359 5.105,360 3.279,361 2.392,362 3.074,363 0.916,364 6.283,365 2.092,366 3.51,367 2.904,368 4.946,369 3.106,370 2.176,371 2.725,372 0.86,373 5.784,374 2.02,375 3.294,376 2.463,377 4.819,378 3.046,379 2.149,380 2.364,381 0.172,382 5.517,383 1.864,384 2.86,385 2.239,386 4.011,387 2.576,388 1.687,389 1.969,390 0.14,391 3.567,392 1.495,393 2.776,394 1.973,395 3.728,396 2.405,397 1.418,398 1.787,400 3.18,401 1.387,402 2.659,403 1.577,404 3.564,405 2.227,406 1.266,407 1.642,409 2.979,410 1.172,411 2.5,412 1.477,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.5,421 1,422 3.247,423 2,424 1,425 1.5,427 2.136,428 1,429 2.072,430 1,431 3.169,432 1.901,433 0.972,434 1.036,436 2.051,437 0.89,438 1.361,439 0.942,440 2.757,441 1.181,442 0.278,443 0.291,445 0.61,446 0.248,447 1.117,448 0.737,449 2.455,450 0.782,451 -0.166,452 -0.19,454 -0.391,455 -0.13,456 1.016,457 0.432,458 2.117,459 0.635,460 -0.222,461 -0.268,463 -0.494,464 -0.185,465 1,466 0.188,467 2,468 0.473,469 -0.493,470 -0.554,472 -1.116,473 -0.451,474 13.414,475 0.497,476 0.544,477 0.02,478 31.25,479 1.157,480 14.5,481 0.537,482 16.75,483 0.62,484 22.15,485 0.82,486 29.786,487 0.584,488 23.088,489 0.855,490 6.721,491 0.249,492 6.321,493 0.234,494 0.177,496 0.216,501 0.8,502 1.339,503 0.632,504 0.944,505 0.607,506 0.963,507 1.101,508 1.033,509 0.752,510 0.845,511 0.658,512 0.922,513 1.055,514 1.085,515 1.037,516 1.053,517 0.96,518 1.101,519 0.949,520 1.074,521 0.895,522 1.023,523 0.975,524 0.978,525 1.257,526 0.886,527 0.822,528 0.834,529 1.126,530 0.842,531 0.832,532 0.996,533 0.887,534 1.045,535 0.879,536 1.036,537 0.929,538 1.037,539 1.035,540 1.087,541 0.889,542 1.024,543 0.815,544 0.903,545 0.744,546 0.914,547 0.558,548 0.888,549 5,550 0.107,551 2.222,552 1.313,553 1.013,554 0.604,555 0.304,556 0.208,557 0.164,558 0.071,559 10812,560 32292,561 1.975,562 47.1,564 22,567 2,572 1.69,573 1.862,574 3.842,575 0.267,577 1,582 86.061,583 1.687,584 3.493,585 4.417,586 4.937,587 5.069,588 5.069,589 3.264,590 4.31,591 4.73,592 4.029,593 1414.24,594 8.148,595 20908.3,597 1,599 1,600 289.294,601 1.311,602 4.691,603 0.179,604 0.006,605 0.063,606 0.04,607 0.035,608 0.022,609 0.012,610 0.01,611 0.008,612 0.004,613 0.38,614 0.33,615 1,616 0.584,617 141.215,618 -0.045,619 -0.17,620 0.012,621 -0.057,622 -0.048,623 -0.022,624 -0.044,625 0.066,626 0.008,627 0.029,628 0.043,629 -0.005,630 -0.034,631 -0.076,632 -0.115,633 -0.093,634 -0.037,635 -0.136,636 0.035,637 -0.115,638 0.039,639 -0.056,640 0.118,641 -0.005,642 -0.08,643 0.096,644 0.054,645 0.116,646 -0.058,647 0.1,648 0.112,649 0.003,650 0.038,651 -0.051,652 0.09,653 -0.061,654 0.054,655 -0.082,656 -0.041,657 -0.048,658 0.011,659 -0.033,660 0.106,661 0.061,662 0.209,663 0.064,664 0.098,665 0.09,666 1.937,667 5.008,668 0.444,669 30.299,670 1.002,671 1.124,672 2.942,673 8.656,674 0.682,675 3.367,676 3.584,677 3.689,678 3.807,679 3.912,680 3.761,681 3.638,682 3.611,683 3.497,684 3.367,685 8.676,686 0.633,687 405.99,688 3.367,689 4.844,690 5.617,691 6.425,692 7.212,693 8.023,694 8.815,695 9.628,696 10.424,697 11.237,698 5.9,701 1,705 2,715 9,720 3,722 12,740 1,741 51,743 14,744 2,745 28,747 52,748 20,749 12,750 3,751 9,752 1,756 2,757 2,758 1,761 1,772 14,773 6,777 2,782 1,783 1,786 2,790 1,793 24,794 5,795 2,796 7,797 2,802 3,805 1,808 1,809 2,829 2,855 1,858 1,859 2,862 1,864 1,865 1,868 27,876 5,877 2,878 1,881 1,892 1,893 3.9,896 1,897 1,901 14.5,902 9.093,903 6.194,904 2.852,907 1.723,908 1.265,909 0.939,910 9.557,911 8.229,912 3.611,913 4.06,914 4.443,915 4.86,916 5.272,917 5.097,918 5.023,919 4.982,920 4.854,921 4.553,922 0.9,923 33,924 9.938,926 3.948,927 0.026,929 7.763,931 18.926,933 14.445,936 2.263,937 61.111,939 1,940 1,941 258.964,942 169.237,943 39.146,944 39.149,945 36.145,947 45.192,948 124.045,949 334.258,950 39.146,951 8.396,952 51.523,953 85.286,954 40.849,955 12.996,956 0.285,957 258.964,958 84.341,959 258.964,960 163.191,961 36.145,962 84.341,964 258.964,965 25.145,966 11,968 54.648,969 108.544,970 39.149,971 45.192,972 258.964,973 75.291,974 208.386,977 258.964,978 30.363,979 96.807,980 36.022,981 120.485,982 258.964,983 75.291,984 208.386,986 0.558,987 0.299,988 0.15,989 0.08,990 12,991 6,992 0.173,993 9,995 1,996 4.141,997 190.912,999 12,1000 120.382,1002 1,1005 21.636,1006 11.927,1007 8.711,1009 75.291,1010 16.943,1015 2.364,1017 36.022,1018 542.641,1019 36,1024 12.008,1025 5.116,1028 0.007,1031 51.08,1032 57.345,1034 0.297,1035 0.616,1036 0.779,1037 0.87,1038 0.894,1039 0.894,1040 4.787,1041 1.266,1042 5.541,1043 3.18,1044 4.263,1045 4.745,1046 2.429,1047 6.188,1048 4.144,1049 5.926,1050 1,1051 7,1052 2.979,1053 3.611,1054 4.27,1055 1.404,1056 6.742,1057 3.39,1058 7.167,1059 1,1060 8.554,1061 2.275,1062 5.7,1063 6.728,1064 2.932,1065 9.762,1066 5.499,1067 8.437,1068 0.972,1069 10.164,1070 2.136,1071 5.832,1072 7.02,1073 2.615,1074 11.148,1075 5.571,1076 9.738,1077 0.278,1078 11.81,1079 2.051,1080 7.375,1081 8.986,1082 3.758,1083 13.652,1084 7.126,1085 11.058,1086 -0.166,1087 13.483,1088 0.61,1089 7.902,1090 9.657,1091 3.838,1092 15.416,1093 7.633,1094 12.395,1095 -0.222,1096 15.176,1097 -0.391,1098 9.183,1099 11.383,1100 4.753,1101 17.715,1102 8.917,1103 2.839,1104 -0.493,1105 16.884,1106 -0.494,1107 9.928,1108 12.272,1109 5.046,1110 19.668,1111 9.661,1112 2.625,1113 8.671,1114 18.604,1115 -1.116,1116 11.076,1117 13.856,1118 5.824,1119 21.88,1120 10.809,1121 2.392,1122 7.392,1123 20.335,1124 3.762,1125 11.944,1126 14.883,1127 6.233,1128 23.93,1129 11.682,1130 2.176,1131 6.283,1132 22.074,1133 3.455,1134 13.026,1135 16.376,1136 6.93,1137 26.105,1138 12.761,1139 2.149,1140 5.784,1141 23.82,1142 3.074,1143 13.963,1144 17.496,1145 7.405,1146 28.204,1147 13.704,1148 1.687,1149 5.517,1150 25.573,1151 2.725,1152 15.013,1153 18.928,1154 8.054,1155 30.365,1156 14.751,1157 1.418,1158 3.567,1159 27.331,1160 2.364,1161 15.989,1162 20.111,1163 8.567,1164 32.49,1165 15.73,1166 10675,1167 18687,1168 18.375,1169 34.807,1170 39.93,1171 42.023,1172 40.587,1173 39.836,1174 39.603,1175 50.21,1176 9.705,1177 100.887,1178 37.076,1179 5.163,1180 5.833,1181 5.876,1182 4.905,1183 4.839,1184 6.762,1185 3.162,1186 14.803,1187 4.812,1188 13.839,1189 1.426,1190 1.501,1191 1.45,1192 1.423,1193 1.414,1194 1.793,1195 0.347,1196 3.603,1197 1.324,1198 3.946,1199 3.978,1200 4.021,1201 3.877,1202 7.429,1203 3.871,1204 3.911,1205 3.937,1206 3.902,1207 3.847,1208 4.936,1209 3.841,1210 3.695,1211 3.751,1212 3.845,1213 3.511,1214 4.84,1215 3.497,1216 3.581,1217 3.653,1218 3.524,1219 3.407,1220 4.756,1221 3.393,1222 3.388,1223 3.433,1224 3.446,1225 3.189,1226 4.57,1227 3.188,1228 3.177,1229 3.246,1230 3.285,1231 2.999,1232 4.277,1233 2.986,1234 2.983,1235 3.053,1236 2.944,1237 2.921,1238 4.174,1239 2.863,1240 2.947,1241 3.002,1242 2.916,1243 2.769,1244 3.801,1245 2.738,1246 0.15,1247 0.137,1248 0.216,1249 0.137,1250 0.101,1251 4.195,1252 0.134,1253 3.833,1254 0.063,1255 6.049,1256 0.31,1257 3.829,1258 0.1,1259 2.839,1260 3.762,1261 1.773,1262 8.671,1263 2.812,1264 1.915,1265 1.883,1266 2.049,1267 2.017,1268 1.209,1269 2.03,1270 1.897,1271 1.878,1272 1.979,1273 1.981,1274 1.076,1275 1.987,1276 1.626,1277 1.565,1278 1.859,1279 1.867,1280 1.064,1281 1.869,1282 1.523,1283 1.454,1284 1.755,1285 1.758,1286 0.983,1287 1.768,1288 1.292,1289 1.252,1290 1.527,1291 1.546,1292 0.693,1293 1.537,1294 1.153,1295 1.082,1296 1.36,1297 1.405,1298 0.5,1299 1.426,1300 0.998,1301 0.918,1302 1.347,1303 1.222,1304 0.366,1305 1.274,1306 0.913,1307 0.886,1308 1.181,1309 1.103,1310 0.218,1311 1.113,1312 4.043,1314 5.283,1316 6.693,1318 8.179,1320 9.704,1322 2.066,1323 5.805,1328 3.406,1329 5.584,1330 5.604,1333 2.208,1340 32.303,1341 86.061,1342 178.129,1343 225.255,1344 251.784,1345 258.539,1346 258.539,1347 56.631,1348 6.506,1349 53.6,1350 85.69,1351 12,1352 11.827,1353 3.907,1354 3.17,1355 59.193,1356 144,1357 116,1358 0.192,1359 212.25,1360 371.22,1361 509.651,1362 6194,1363 2,1364 19.485,1365 0.722,1366 0.624,1367 20.485,1368 16.854,1369 13.042,1370 0.466,1371 0.339,1372 8.633,1373 12.026,1374 8.334,1375 6.943,1376 13.619,1377 9.48,1378 11.175,1379 0.319,1380 0.197,1381 11.991,1382 6.897,1383 8.244,1384 0.211,1385 0.11,1386 8.795,1387 4.276,1388 6.249,1389 0.142,1390 0.061,1391 6.703,1392 2.675,1393 4.584,1394 0.094,1395 0.035,1396 4.967,1397 1.698,1398 0.324,1399 87.449,1400 0.233,1401 27.39,1402 0.472,1403 126,1404 388.846,1405 166.115,1406 426.516,1407 547.95,1408 396,1409 137,1410 338.211,1411 165.534,1412 364.094,1413 519.31,1414 339,1415 7.523}
{0 CHEMBL101809,1 1.507,2 17.063,3 4.827,4 23.299,5 134.58,6 7.339,7 0.529,8 4.171,9 4.295,10 3.721,11 3.741,12 5.24,13 3.693,14 4.687,15 4.865,16 4.02,17 4.087,18 5.717,19 4.012,20 4.921,21 5.131,22 4.032,23 4.234,24 5.893,25 4.105,26 4.988,27 5.235,28 4.013,29 4.186,30 5.971,31 4.038,32 4.942,33 5.193,34 3.935,35 4.116,36 5.882,37 3.97,38 4.842,39 5.09,40 3.829,41 4.058,42 5.747,43 3.89,44 4.793,45 5.047,46 3.735,47 3.931,48 5.76,49 3.767,50 4.662,51 4.917,52 3.68,53 3.796,54 5.632,55 3.667,56 0.047,57 0.838,58 12.754,59 5.625,60 8.982,61 7.499,62 0.308,63 1.354,64 24.528,65 8.844,66 28.55,67 12.11,68 0.35,69 1.622,70 33.016,71 12.681,72 39.234,73 16.7,74 0.339,75 1.693,76 37.843,77 13.633,78 59.433,79 18.048,80 0.442,81 1.601,82 37.13,83 12.624,84 54.652,85 16.47,86 0.266,87 1.474,88 32.663,89 12.057,90 39.152,91 15.767,92 0.368,93 1.37,94 33.196,95 11.445,96 53.189,97 14.682,98 0.304,99 1.225,100 28.264,101 9.152,102 41.188,103 12.055,104 10,105 43,106 0.243,107 0.518,108 0.657,109 0.776,110 0.848,111 0.853,112 3.501,113 0.977,114 -4.74,115 -4.65,116 -4.37,121 42.6,126 1,127 5,144 14,145 4,160 1,161 1,176 19,180 2,183 1,184 1,185 1,187 22,191 1,192 4,195 1,197 2,200 17,206 4,209 1,211 3,214 10,219 3,222 1,224 3,227 8,232 3,235 1,237 3,239 4,243 1,244 5,249 3,251 1,256 5,259 1,261 4,269 3,274 5,281 2100,282 21.811,283 21.811,284 21.811,285 21.811,286 21.811,287 19.402,288 17.533,289 13.621,290 22.265,291 16.831,292 16.831,293 16.831,294 16.831,295 16.831,296 13.288,297 20.033,298 6.559,299 17.527,300 4.424,301 2.713,302 1.854,303 1.111,304 0.668,305 0.635,306 4.187,312 1,313 1160,314 4.359,318 405.075,325 2.754,326 21.097,329 1,330 0.83,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.85,337 67.5,338 546,339 4.287,340 3.833,341 6.168,342 3.917,343 2.917,344 3.927,345 1.773,346 9.118,347 2.916,348 4.055,349 3.463,350 6.006,351 3.712,352 2.72,353 3.52,354 0.99,355 8.543,356 2.703,357 3.927,358 2.95,359 5.484,360 3.596,361 2.625,362 3.455,363 0.916,364 7.392,365 2.558,366 3.624,367 2.842,368 5.046,369 3.18,370 2.287,371 2.895,372 0.86,373 6.097,374 2.039,375 3.35,376 2.463,377 4.819,378 3.101,379 2.162,380 2.658,381 0.172,382 5.518,383 2.015,384 3.294,385 2.239,386 4.511,387 2.875,388 1.881,389 2.364,390 0.14,391 4.666,392 1.853,393 2.879,394 2.124,395 4.01,396 2.582,397 1.684,398 1.976,400 3.562,401 1.514,402 2.852,403 1.715,404 3.731,405 2.418,406 1.424,407 1.954,409 3.22,410 1.412,411 2.673,412 1.577,413 3.566,414 2.342,415 1.36,416 1.677,418 2.992,419 1.314,420 2.525,421 1.477,422 3.482,423 2.041,424 1.067,425 1.5,427 2.573,428 1.034,429 2.5,430 1.128,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.5,439 1,440 3.247,441 2,442 1,443 1.5,445 2.136,446 1,447 2.5,448 1,449 3.247,450 2,451 1,452 1.486,454 2.136,455 1,456 2.072,457 1,458 3.167,459 1.889,460 0.937,461 1.034,463 2.036,464 0.88,465 1.361,466 0.938,467 2.763,468 1.18,469 0.275,470 0.289,472 0.604,473 0.246,474 15.7,475 0.491,476 0.558,477 0.017,478 40,479 1.25,480 20.5,481 0.641,482 19.5,483 0.609,484 25.47,485 0.796,486 34.1,487 0.559,488 30.809,489 0.963,490 8.521,491 0.266,492 7.093,493 0.222,494 0.106,496 0.217,501 0.843,502 1.227,503 0.741,504 0.964,505 0.635,506 0.963,507 1.179,508 1.003,509 0.887,510 0.908,511 0.703,512 0.963,513 1.017,514 1.048,515 1.039,516 1.042,517 0.933,518 1.077,519 0.943,520 1.062,521 0.95,522 1.037,523 0.969,524 0.999,525 1.339,526 0.894,527 1.02,528 0.906,529 1.166,530 0.91,531 0.992,532 1.001,533 1.049,534 1.042,535 1.022,536 1.036,537 1.132,538 1.062,539 1.141,540 1.089,541 1.139,542 0.991,543 1.411,544 0.941,545 1.013,546 0.934,547 1.324,548 0.88,549 5,550 0.128,551 2.667,552 1.5,553 0.964,554 0.743,555 0.504,556 0.255,557 0.243,558 0.133,559 18360,560 45021,561 2.048,562 47.5,564 27,567 2,572 1.734,573 1.959,574 4.027,575 0.146,582 91.927,583 1.507,584 3.218,585 4.077,586 4.82,587 5.263,588 5.295,589 3.507,590 4.289,591 4.972,592 4.24,593 2103.03,594 8.637,595 35602.8,597 1,600 361.775,601 1.171,602 4.951,603 0.147,604 0.005,605 0.062,606 0.036,607 0.025,608 0.021,609 0.016,610 0.009,611 0.009,612 0.005,613 0.336,614 0.17,615 1,616 0.476,617 177.025,618 -0.021,619 -0.108,620 0.027,621 -0.035,622 -0.046,623 -0.001,624 -0.018,625 0.08,626 -0.032,627 0.001,628 0.021,629 -0.027,630 0.016,631 -0.041,632 -0.099,633 -0.07,634 -0.02,635 -0.103,636 0.074,637 -0.088,638 0.052,639 -0.055,640 0.141,641 -0.017,642 -0.059,643 0.088,644 0.018,645 0.069,646 -0.062,647 0.052,648 -0.017,649 -0.019,650 -0.016,651 -0.038,652 -0.049,653 -0.049,654 0.101,655 -0.093,656 -0.009,657 -0.052,658 0.079,659 -0.009,660 -0.04,661 0.059,662 0.054,663 0.034,664 -0.016,665 0.069,666 1.898,667 5.388,668 0.563,669 45.578,670 0.992,671 1.119,672 3.509,673 12.312,674 0.68,675 3.555,676 3.784,677 3.951,678 4.111,679 4.248,680 4.174,681 4.248,682 4.234,683 4.234,684 4.174,685 9.913,686 0.632,687 447.65,688 3.555,689 5.043,690 5.838,691 6.658,692 7.466,693 8.291,694 9.106,695 9.935,696 10.754,697 11.585,698 4.9,701 1,705 2,715 14,720 4,722 18,741 61,743 20,744 3,745 34,747 63,748 26,749 18,750 4,751 14,752 1,756 3,757 3,761 1,772 20,773 6,777 2,782 1,783 1,786 2,793 29,794 5,795 2,796 6,797 1,802 3,805 1,808 1,809 2,829 3,855 1,858 1,859 3,862 1,864 1,868 32,876 5,877 2,878 1,881 1,893 3.3,896 1,897 1,901 16.333,902 10.867,903 7.306,904 3.49,907 2.751,908 1.383,909 0.964,910 9.694,911 9.932,912 3.829,913 4.311,914 4.777,915 5.263,916 5.74,917 5.77,918 6.154,919 6.356,920 6.596,921 6.765,922 1,923 42,924 11.803,926 4.757,927 0.026,929 7.646,931 22.743,933 17.759,936 2.146,937 68.667,941 317.82,942 219.489,943 39.146,945 36.145,947 45.192,948 174.297,949 353.965,950 39.146,951 8.396,952 51.523,953 132.667,954 40.849,955 15.867,956 0.285,957 317.82,958 45.192,959 317.82,960 213.443,961 36.145,962 45.192,964 317.82,965 25.145,966 11,968 54.648,969 158.795,971 45.192,972 317.82,973 75.291,974 219.489,977 317.82,978 33.233,979 144.188,980 36.022,981 81.337,982 317.82,983 75.291,984 219.489,986 0.558,987 0.308,988 0.161,989 0.084,990 16,991 7,992 0.159,993 10,995 1,996 4.667,997 250.566,999 18,1000 148,1002 1,1005 23.926,1006 12.966,1007 8.386,1009 75.291,1010 27.872,1015 4.024,1017 36.022,1018 612.6,1019 45,1024 12.388,1025 5.218,1028 0.067,1031 60.523,1032 68.231,1034 0.254,1035 0.543,1036 0.687,1037 0.813,1038 0.887,1039 0.893,1040 5.007,1041 1.424,1042 5.759,1043 3.562,1044 4.466,1045 4.997,1046 2.429,1047 6.438,1048 4.4,1049 6.152,1050 1.36,1051 7.232,1052 3.22,1053 3.761,1054 4.443,1055 1.404,1056 7.066,1057 3.67,1058 7.399,1059 1.067,1060 8.805,1061 2.992,1062 5.927,1063 7.026,1064 2.932,1065 10.126,1066 5.819,1067 8.679,1068 1,1069 10.441,1070 2.573,1071 6.066,1072 7.295,1073 2.615,1074 11.637,1075 5.96,1076 9.991,1077 1,1078 12.119,1079 2.275,1080 7.645,1081 9.335,1082 3.758,1083 14.159,1084 7.522,1085 11.326,1086 1,1087 13.827,1088 2.136,1089 8.208,1090 10.024,1091 3.838,1092 16.039,1093 8.1,1094 12.68,1095 0.937,1096 15.556,1097 2.136,1098 9.509,1099 11.788,1100 4.753,1101 18.36,1102 9.388,1103 2.917,1104 0.275,1105 17.301,1106 2.036,1107 10.296,1108 12.72,1109 5.046,1110 20.405,1111 10.192,1112 2.72,1113 9.118,1114 19.058,1115 0.604,1116 11.46,1117 14.324,1118 5.824,1119 22.645,1120 11.349,1121 2.625,1122 8.543,1123 20.824,1124 3.927,1125 12.368,1126 15.406,1127 6.233,1128 24.765,1129 12.27,1130 2.287,1131 7.392,1132 22.597,1133 3.52,1134 13.466,1135 16.912,1136 6.93,1137 26.974,1138 13.365,1139 2.162,1140 6.097,1141 24.376,1142 3.455,1143 14.439,1144 18.092,1145 7.405,1146 29.13,1147 14.347,1148 1.881,1149 5.518,1150 26.16,1151 2.895,1152 15.506,1153 19.536,1154 8.054,1155 31.327,1156 15.415,1157 1.684,1158 4.666,1159 27.947,1160 2.658,1161 16.513,1162 20.779,1163 8.567,1164 33.502,1165 16.429,1166 17577,1167 27707,1168 22.94,1169 41.472,1170 49.087,1171 51.172,1172 49.44,1173 48.721,1174 48.678,1175 63.468,1176 9.705,1177 125.731,1178 46.966,1179 5.255,1180 5.833,1181 5.995,1182 4.993,1183 4.917,1184 6.927,1185 3.162,1186 15.367,1187 4.916,1188 13.185,1189 1.444,1190 1.505,1191 1.454,1192 1.433,1193 1.432,1194 1.867,1195 0.285,1196 3.698,1197 1.381,1198 4.015,1199 4.04,1200 3.991,1201 3.966,1202 7.429,1203 3.961,1204 3.923,1205 3.96,1206 3.889,1207 3.854,1208 4.864,1209 3.847,1210 3.784,1211 3.816,1212 3.844,1213 3.708,1214 4.811,1215 3.703,1216 3.69,1217 3.745,1218 3.682,1219 3.508,1220 4.754,1221 3.495,1222 3.574,1223 3.647,1224 3.522,1225 3.404,1226 4.581,1227 3.388,1228 3.377,1229 3.424,1230 3.292,1231 3.184,1232 4.567,1233 3.18,1234 3.174,1235 3.245,1236 3.172,1237 3.001,1238 4.174,1239 2.989,1240 2.992,1241 3.054,1242 2.939,1243 2.927,1244 3.801,1245 2.878,1246 0.126,1247 0.113,1248 0.181,1249 0.115,1250 0.086,1251 4.287,1252 0.115,1253 3.833,1254 0.052,1255 6.168,1256 0.268,1257 3.917,1258 0.086,1259 2.917,1260 3.927,1261 1.773,1262 9.118,1263 2.916,1264 1.994,1265 1.973,1266 2.09,1267 2.059,1268 1.209,1269 2.07,1270 1.915,1271 1.883,1272 2.049,1273 2.017,1274 1.194,1275 2.03,1276 1.775,1277 1.748,1278 1.9,1279 1.889,1280 1.068,1281 1.893,1282 1.625,1283 1.564,1284 1.858,1285 1.854,1286 0.984,1287 1.862,1288 1.521,1289 1.451,1290 1.755,1291 1.753,1292 0.957,1293 1.765,1294 1.29,1295 1.248,1296 1.527,1297 1.541,1298 0.693,1299 1.534,1300 1.155,1301 1.085,1302 1.365,1303 1.405,1304 0.5,1305 1.424,1306 0.999,1307 0.944,1308 1.356,1309 1.222,1310 0.397,1311 1.274,1312 4.234,1314 5.485,1316 6.919,1318 8.432,1320 9.988,1322 2.075,1328 3.424,1329 5.719,1330 5.661,1333 2.219,1340 38.529,1341 91.927,1342 196.308,1343 248.698,1344 294.001,1345 321.02,1346 323.02,1347 58.618,1348 7.181,1349 53.6,1350 85.69,1351 18,1352 12.16,1353 4.392,1354 3.585,1355 61.984,1356 192,1357 172,1358 0.149,1359 245.296,1360 428.63,1361 590.282,1362 15424,1364 22.598,1365 0.706,1366 0.597,1367 23.098,1368 19.107,1369 15.614,1370 0.459,1371 0.326,1372 10.575,1373 14.907,1374 10.257,1375 8.565,1376 15.903,1377 11.073,1378 13.228,1379 0.308,1380 0.184,1381 13.636,1382 7.897,1383 10.316,1384 0.202,1385 0.101,1386 10.578,1387 5.172,1388 8.185,1389 0.136,1390 0.057,1391 8.473,1392 3.392,1393 6.121,1394 0.089,1395 0.031,1396 6.289,1397 2.151,1398 0.251,1399 99.709,1400 0.209,1401 31.59,1402 0.364,1403 154,1404 422.642,1405 178.595,1406 435.939,1407 581.36,1408 408,1409 171,1410 393.348,1411 189.775,1412 413.711,1413 592.43,1414 387,1415 6.638}
{0 CHEMBL101940,1 1.766,2 14.964,3 4.637,4 21.505,5 119.054,6 8.636,7 0.414,8 4.001,9 4.117,10 3.681,11 3.565,12 5.099,13 3.519,14 4.524,15 4.698,16 4.035,17 3.911,18 5.612,19 3.839,20 4.751,21 4.944,22 4.175,23 4.071,24 5.835,25 3.936,26 4.801,27 5.044,28 3.975,29 3.969,30 5.839,31 3.817,32 4.72,33 4.961,34 3.933,35 3.86,36 5.781,37 3.729,38 4.622,39 4.852,40 3.845,41 3.846,42 5.656,43 3.685,44 4.616,45 4.863,46 3.835,47 3.788,48 5.611,49 3.597,50 4.477,51 4.735,52 3.723,53 3.64,54 5.407,55 3.471,56 0.053,57 0.698,58 8.777,59 4.493,60 7.514,61 5.722,62 0.34,63 1.098,64 20.177,65 7.324,66 27.329,67 9.405,68 0.487,69 1.268,70 35.048,71 10.938,72 47.432,73 13.306,74 0.447,75 1.3,76 37.359,77 11.712,78 62.349,79 14.496,80 0.618,81 1.199,82 34.437,83 10.23,84 65.592,85 12.337,86 0.435,87 1.123,88 29.508,89 9.782,90 52.679,91 11.986,92 0.473,93 1.066,94 35.028,95 10.362,96 57.134,97 12.429,98 0.371,99 0.932,100 30.879,101 8.521,102 39.69,103 10.586,104 26,105 37,106 0.299,107 0.608,108 0.763,109 0.856,110 0.885,111 0.885,112 3.373,113 1.031,114 -4.66,115 -4.58,116 -4.3,121 39.2,126 1,127 5,144 8,145 2,146 2,160 1,161 1,176 9,180 2,183 1,184 1,185 1,187 10,191 1,192 4,195 1,197 2,200 9,206 3,209 1,211 2,214 2,219 3,222 1,224 3,232 3,235 1,237 2,243 1,244 3,249 1,256 3,259 1,261 2,269 1,274 2,281 1360,282 18.535,283 18.535,284 18.535,285 18.535,286 18.535,287 16.708,288 19.7,289 11.438,290 19.223,291 14.311,292 14.311,293 14.311,294 14.311,295 14.311,296 11.608,297 20.94,298 5.503,299 15.523,300 3.907,301 2.081,302 1.167,303 0.618,304 0.446,305 0.446,306 4.039,308 2,311 1,312 1,313 864,314 4.359,318 237.89,325 2.258,326 26.546,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 60.167,338 419,339 4.299,340 3.834,341 6.143,342 3.887,343 2.927,344 3.941,345 1.773,346 8.976,347 2.829,348 3.927,349 3.485,350 5.766,351 3.596,352 2.625,353 3.455,354 0.99,355 7.616,356 2.558,357 3.891,358 3.262,359 5.484,360 3.454,361 2.568,362 3.234,363 0.916,364 7.392,365 2.18,366 3.551,367 2.95,368 5.03,369 3.119,370 2.223,371 2.752,372 0.86,373 6.013,374 2.021,375 3.294,376 2.463,377 4.819,378 3.088,379 2.16,380 2.364,381 0.172,382 5.518,383 1.916,384 2.86,385 2.239,386 4.104,387 2.578,388 1.687,389 1.97,390 0.14,391 3.623,392 1.498,393 2.824,394 2.164,395 3.987,396 2.406,397 1.418,398 1.952,400 3.5,401 1.389,402 2.774,403 1.91,404 3.73,405 2.309,406 1.414,407 1.787,409 3.184,410 1.215,411 2.659,412 1.577,413 3.565,414 2.227,415 1.265,416 1.642,418 2.981,419 1.162,420 2.5,421 1.477,422 3.247,423 2,424 1,425 1.5,427 2.136,428 1,429 2.072,430 1,431 3.176,432 1.901,433 0.972,434 1.036,436 2.053,437 0.89,438 1.368,439 0.942,440 2.783,441 1.182,442 0.282,443 0.295,445 0.62,446 0.249,447 1.356,448 0.752,449 2.52,450 0.845,451 0.086,452 0.103,454 0.186,455 0.052,456 1.016,457 0.689,458 2.375,459 0.772,460 -0.185,461 -0.211,463 -0.44,464 -0.176,465 1,466 0.191,467 2.223,468 0.488,469 -0.459,470 -0.511,472 -1.08,473 -0.392,474 14.129,475 0.505,476 0.634,477 0.023,478 32,479 1.143,480 14.5,481 0.518,482 17.5,483 0.625,484 24.51,485 0.875,486 30.871,487 0.605,488 23.9,489 0.854,490 6.809,491 0.243,492 6.644,493 0.237,494 0.219,496 0.241,501 0.763,502 1.337,503 0.572,504 0.883,505 0.594,506 0.916,507 1.038,508 1.025,509 0.68,510 0.783,511 0.648,512 0.867,513 0.982,514 1.081,515 0.899,516 0.991,517 0.908,518 1.055,519 0.928,520 1.073,521 0.845,522 0.989,523 0.966,524 0.957,525 1.065,526 0.902,527 0.772,528 0.871,529 0.959,530 0.851,531 0.812,532 0.999,533 0.833,534 1.026,535 0.873,536 1.032,537 0.804,538 1.041,539 0.802,540 1,541 0.781,542 0.978,543 0.81,544 0.904,545 0.732,546 0.902,547 0.58,548 0.887,549 5.5,550 0.124,551 2.667,552 1.5,553 1.284,554 0.604,555 0.385,556 0.24,557 0.189,558 0.091,559 11753,560 38523,561 1.956,562 45.1,564 21,567 2,572 1.7,573 1.826,574 3.851,575 0.282,582 90.058,583 1.766,584 3.592,585 4.506,586 5.055,587 5.226,588 5.226,589 3.253,590 4.45,591 4.783,592 4.047,593 1529.71,594 8.255,595 23179.6,597 1,600 289.294,601 1.405,602 4.732,603 0.19,604 0.007,605 0.072,606 0.042,607 0.041,608 0.021,609 0.015,610 0.01,611 0.009,612 0.005,613 0.411,614 0.17,615 1,616 0.616,617 147.957,618 -0.055,619 -0.169,620 0.006,621 -0.049,622 -0.051,623 -0.019,624 -0.058,625 0.078,626 0.028,627 0.068,628 0.038,629 0.029,630 0.019,631 -0.072,632 0.012,633 -0.038,634 0.012,635 -0.097,636 0.017,637 -0.108,638 0.046,639 -0.024,640 0.091,641 0.023,642 0.049,643 0.086,644 0.084,645 0.083,646 0.082,647 0.099,648 0.08,649 0.006,650 0.022,651 -0.044,652 0.059,653 -0.058,654 0.128,655 -0.079,656 0.121,657 0.033,658 0.094,659 0.023,660 0.077,661 0.066,662 0.171,663 0.076,664 0.08,665 0.102,666 2.014,667 5.102,668 0.429,669 31.796,670 1.008,671 1.123,672 3.429,673 11.757,674 0.699,675 3.401,676 3.638,677 3.761,678 3.871,679 3.989,680 3.85,681 3.761,682 3.664,683 3.584,684 3.434,685 8.817,686 0.65,687 440.43,688 3.401,689 4.89,690 5.673,691 6.491,692 7.29,693 8.11,694 8.916,695 9.738,696 10.549,697 11.372,698 5.9,701 1,705 2,715 8,720 4,722 12,740 2,741 51,743 14,744 2,745 29,747 52,748 20,749 12,750 4,751 8,752 1,756 2,757 2,758 2,761 1,772 14,773 6,777 2,782 1,783 1,786 2,790 1,793 23,794 5,795 2,796 8,797 3,802 3,805 1,808 1,809 2,829 2,855 1,858 1,859 2,862 1,864 1,865 2,868 28,876 5,877 2,878 1,881 1,892 2,893 3.9,896 1,897 1,901 15.333,902 9.152,903 6.389,904 2.839,907 1.749,908 1.265,909 0.94,910 10.016,911 8.346,912 3.638,913 4.111,914 4.511,915 4.927,916 5.355,917 5.226,918 5.201,919 5.031,920 4.981,921 4.627,922 0.9,923 36,924 10.302,926 4.129,927 0.026,929 7.817,931 19.487,933 14.927,936 2.317,937 64.889,940 1,941 247.193,942 163.262,943 39.146,944 78.297,945 36.145,947 45.192,948 118.07,949 361.635,950 39.146,951 8.396,952 51.523,953 75.81,954 40.849,955 16.497,956 0.285,957 247.193,958 123.489,959 247.193,960 157.216,961 36.145,962 123.489,964 247.193,965 25.145,966 11,968 54.648,969 102.568,970 78.297,971 45.192,972 247.193,973 75.291,974 241.559,977 247.193,978 33.863,979 87.331,980 36.022,981 159.634,982 247.193,983 75.291,984 241.559,986 0.564,987 0.309,988 0.151,989 0.08,990 13,991 7,992 0.173,993 9,995 1,996 4.178,997 203.026,999 12,1000 130.606,1002 1,1005 22.908,1006 12.242,1007 8.679,1009 75.291,1010 14.944,1015 2.371,1017 36.022,1018 564.043,1019 37,1024 12.102,1025 5.115,1028 -0.111,1031 51.403,1032 57.289,1034 0.311,1035 0.633,1036 0.794,1037 0.891,1038 0.921,1039 0.921,1040 4.828,1041 1.414,1042 5.617,1043 3.5,1044 4.317,1045 4.796,1046 2.429,1047 6.297,1048 4.169,1049 5.983,1050 1.265,1051 7.102,1052 3.184,1053 3.761,1054 4.443,1055 1.404,1056 6.934,1057 3.467,1058 7.24,1059 1,1060 8.686,1061 2.981,1062 5.79,1063 6.821,1064 2.932,1065 9.965,1066 5.532,1067 8.529,1068 0.972,1069 10.326,1070 2.136,1071 6.019,1072 7.249,1073 2.615,1074 11.41,1075 5.639,1076 9.849,1077 0.282,1078 12.003,1079 2.053,1080 7.514,1081 9.139,1082 3.758,1083 13.94,1084 7.168,1085 11.189,1086 0.086,1087 13.706,1088 0.62,1089 8.128,1090 9.949,1091 3.838,1092 15.743,1093 7.696,1094 12.547,1095 -0.185,1096 15.426,1097 0.186,1098 9.382,1099 11.613,1100 4.753,1101 18.074,1102 8.966,1103 2.927,1104 -0.459,1105 17.161,1106 -0.44,1107 10.199,1108 12.635,1109 5.046,1110 20.054,1111 9.724,1112 2.625,1113 8.976,1114 18.906,1115 -1.08,1116 11.338,1117 14.174,1118 5.824,1119 22.298,1120 10.865,1121 2.568,1122 7.616,1123 20.659,1124 3.941,1125 12.262,1126 15.323,1127 6.233,1128 24.371,1129 11.747,1130 2.223,1131 7.392,1132 22.419,1133 3.455,1134 13.349,1135 16.79,1136 6.93,1137 26.577,1138 12.826,1139 2.16,1140 6.013,1141 24.185,1142 3.234,1143 14.332,1144 18.019,1145 7.405,1146 28.701,1147 13.775,1148 1.687,1149 5.518,1150 25.956,1151 2.752,1152 15.396,1153 19.442,1154 8.054,1155 30.892,1156 14.824,1157 1.418,1158 3.623,1159 27.731,1160 2.364,1161 16.412,1162 20.722,1163 8.567,1164 33.045,1165 15.81,1166 11639,1167 21422,1168 18.781,1169 35.665,1170 41.578,1171 44.437,1172 42.425,1173 41.48,1174 41.255,1175 52.059,1176 9.705,1177 107.593,1178 37.92,1179 5.267,1180 5.834,1181 5.97,1182 4.964,1183 4.927,1184 6.941,1185 3.162,1186 15.319,1187 4.829,1188 15.852,1189 1.434,1190 1.532,1191 1.463,1192 1.43,1193 1.423,1194 1.795,1195 0.335,1196 3.71,1197 1.308,1198 3.949,1199 3.978,1200 4.124,1201 3.889,1202 7.429,1203 3.882,1204 3.913,1205 3.937,1206 3.92,1207 3.851,1208 5.036,1209 3.844,1210 3.695,1211 3.751,1212 3.845,1213 3.513,1214 4.843,1215 3.498,1216 3.581,1217 3.653,1218 3.525,1219 3.408,1220 4.756,1221 3.394,1222 3.39,1223 3.433,1224 3.446,1225 3.192,1226 4.57,1227 3.192,1228 3.178,1229 3.246,1230 3.393,1231 3.007,1232 4.49,1233 2.99,1234 2.985,1235 3.053,1236 3.284,1237 2.924,1238 4.205,1239 2.867,1240 2.948,1241 3.001,1242 2.941,1243 2.79,1244 4.173,1245 2.763,1246 0.148,1247 0.132,1248 0.212,1249 0.134,1250 0.101,1251 4.299,1252 0.136,1253 3.834,1254 0.061,1255 6.143,1256 0.31,1257 3.887,1258 0.098,1259 2.927,1260 3.941,1261 1.773,1262 8.976,1263 2.829,1264 1.915,1265 1.883,1266 2.049,1267 2.017,1268 1.209,1269 2.03,1270 1.891,1271 1.879,1272 1.942,1273 1.968,1274 1.075,1275 1.971,1276 1.625,1277 1.565,1278 1.858,1279 1.866,1280 1.064,1281 1.869,1282 1.523,1283 1.454,1284 1.754,1285 1.756,1286 0.983,1287 1.767,1288 1.29,1289 1.252,1290 1.526,1291 1.541,1292 0.693,1293 1.534,1294 1.152,1295 1.083,1296 1.359,1297 1.403,1298 0.5,1299 1.423,1300 0.998,1301 0.919,1302 1.337,1303 1.222,1304 0.36,1305 1.274,1306 0.911,1307 0.886,1308 1.181,1309 1.1,1310 0.218,1311 1.112,1312 4.078,1314 5.333,1316 6.76,1318 8.267,1320 9.817,1322 2.058,1323 11.756,1328 3.318,1329 5.534,1330 5.602,1333 2.199,1340 33.131,1341 90.058,1342 183.188,1343 229.784,1344 257.784,1345 266.539,1346 266.539,1347 65.603,1348 6.597,1349 53.6,1350 85.69,1351 12,1352 11.953,1353 3.907,1354 3.17,1355 62.748,1356 152,1357 126,1358 0.194,1359 220.583,1360 386.43,1361 529.983,1362 6935,1363 3.9,1364 20.355,1365 0.727,1366 0.64,1367 21.855,1368 17.911,1369 13.452,1370 0.464,1371 0.344,1372 8.769,1373 12.177,1374 8.435,1375 7.005,1376 14.318,1377 9.963,1378 11.682,1379 0.316,1380 0.2,1381 12.832,1382 7.397,1383 8.822,1384 0.21,1385 0.115,1386 9.999,1387 4.839,1388 6.5,1389 0.138,1390 0.061,1391 7.174,1392 2.883,1393 4.832,1394 0.091,1395 0.034,1396 5.418,1397 1.824,1398 0.326,1399 93.089,1400 0.231,1401 28.163,1402 0.477,1403 132,1404 423.049,1405 187.634,1406 488.642,1407 620,1408 452,1409 145,1410 366.074,1411 191.005,1412 401.871,1413 577.26,1414 374,1415 7.26}
{0 CHEMBL101988,1 1.625,2 14.08,3 4.101,4 16.819,5 109.185,6 7.714,7 0.462,8 3.952,9 4.081,10 3.541,11 3.497,12 4.982,13 3.441,14 4.476,15 4.667,16 3.852,17 3.832,18 5.461,19 3.745,20 4.694,21 4.916,22 3.82,23 3.972,24 5.602,25 3.812,26 4.74,27 5.011,28 3.713,29 3.903,30 5.542,31 3.707,32 4.661,33 4.923,34 3.699,35 3.806,36 5.543,37 3.632,38 4.557,39 4.809,40 3.531,41 3.768,42 5.376,43 3.578,44 4.572,45 4.846,46 3.626,47 3.688,48 5.404,49 3.483,50 4.433,51 4.715,52 3.319,53 3.499,54 5.236,55 3.327,56 0.035,57 0.685,58 10.255,59 4.426,60 7.135,61 6.004,62 0.246,63 1.075,64 21.099,65 6.947,66 23.401,67 9.608,68 0.355,69 1.245,70 30.22,71 10.101,72 32.424,73 13.216,74 0.233,75 1.263,76 33.396,77 11.026,78 30.546,79 14.45,80 0.42,81 1.177,82 32.386,83 9.798,84 40.442,85 12.373,86 0.212,87 1.064,88 26.43,89 9.21,90 24.773,91 12.018,92 0.249,93 1.004,94 31.25,95 9.532,96 33.638,97 12.21,98 0.292,99 0.877,100 25.341,101 7.533,102 28.6,103 9.906,104 10,105 32,106 0.279,107 0.574,108 0.739,109 0.831,110 0.855,111 0.855,112 3.264,113 1.041,114 -4.41,115 -4.34,116 -4.09,121 38.8,126 1,127 5,144 9,145 1,146 2,161 1,176 8,180 1,184 1,185 2,187 10,191 1,192 2,195 1,197 2,200 7,206 2,211 2,219 2,222 1,224 3,232 2,235 1,244 4,249 1,256 3,259 1,261 1,274 2,281 1001,282 16.828,283 16.828,284 16.828,285 16.828,286 16.828,287 15.146,288 21.101,289 10.63,290 17.445,291 12.882,292 12.882,293 12.882,294 12.882,295 12.882,296 10.467,297 26.446,298 5.169,299 13.921,300 3.99,301 2.269,302 1.307,303 0.766,304 0.628,305 0.628,306 3.933,308 1,311 1,312 1,313 730,314 3.937,318 208.199,325 2.163,326 14.921,328 1,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 52.833,338 352,339 4.043,340 3.785,341 5.52,342 3.614,343 2.677,344 3.629,345 1.762,346 7.483,347 2.558,348 3.927,349 2.95,350 5.484,351 3.596,352 2.625,353 3.455,354 0.916,355 7.392,356 2.508,357 3.659,358 2.94,359 5.026,360 3.197,361 2.326,362 2.909,363 0.86,364 6.069,365 2.024,366 3.298,367 2.464,368 4.819,369 3.102,370 2.164,371 2.506,372 0.247,373 5.518,374 1.983,375 3.283,376 2.417,377 4.702,378 2.838,379 1.944,380 2.363,381 0.172,382 5.186,383 1.676,384 2.857,385 2.239,386 3.752,387 2.541,388 1.655,389 1.968,391 3.433,392 1.468,393 2.674,394 1.577,395 3.57,396 2.39,397 1.41,398 1.675,400 3.007,401 1.358,402 2.5,403 1.477,404 3.414,405 2,406 1.012,407 1.5,409 2.275,410 1,411 2.5,412 1,413 3.247,414 2,415 1,416 1.5,418 2.136,419 1,420 2.076,421 1,422 3.213,423 1.929,424 1,425 1.051,427 2.13,428 0.918,429 1.425,430 0.896,431 2.83,432 1.227,433 0.327,434 0.342,436 0.736,437 0.288,438 1.339,439 0.737,440 2.514,441 0.923,442 0.06,443 0.072,445 0.133,446 0.046,447 1.015,448 0.271,449 2.131,450 0.75,451 -0.197,452 -0.225,454 -0.46,455 -0.184,456 0.713,457 0.138,458 2,459 0.344,460 -0.549,461 -0.578,463 -1.212,464 -0.436,465 0.53,466 -0.158,467 1.791,468 0.102,469 -0.695,470 -0.866,472 -1.618,473 -0.534,474 12.581,475 0.503,476 0.455,477 0.018,478 29,479 1.16,480 13.5,481 0.54,482 15.5,483 0.62,484 20.214,485 0.809,486 27.619,487 0.564,488 19.718,489 0.789,490 6.169,491 0.247,492 5.962,493 0.238,494 0.163,496 0.191,501 0.902,502 1.353,503 0.646,504 0.943,505 0.756,506 0.978,507 1.351,508 1.082,509 0.767,510 0.854,511 0.85,512 0.936,513 1.138,514 1.061,515 1.057,516 1.031,517 1.087,518 1.103,519 0.88,520 1.048,521 0.89,522 0.982,523 0.841,524 0.969,525 1.175,526 0.913,527 0.929,528 0.972,529 1,530 0.893,531 0.896,532 0.997,533 0.924,534 1.043,535 0.935,536 1.075,537 0.86,538 1.034,539 0.713,540 0.972,541 0.733,542 0.966,543 1.322,544 0.784,545 0.866,546 0.832,547 1.08,548 0.822,549 4.5,550 0.107,551 1.556,552 1.063,553 0.893,554 0.347,555 0.323,556 0.118,557 0.14,558 0.051,559 8862,560 24939,561 1.996,562 49,564 22,567 2,572 1.668,573 1.899,574 3.774,575 0.273,577 1,582 79.616,583 1.625,584 3.346,585 4.308,586 4.849,587 4.987,588 4.987,589 3.243,590 4.084,591 4.619,592 3.955,593 1186.37,594 7.922,595 16541.3,597 1,599 1,600 275.121,601 1.21,602 4.589,603 0.173,604 0.007,605 0.049,606 0.037,607 0.036,608 0.014,609 0.015,610 0.006,611 0.008,612 0.003,613 0.349,614 0.17,615 1,616 0.553,617 127.53,618 -0.035,619 -0.179,620 0.014,621 -0.059,622 -0.059,623 -0.024,624 -0.12,625 0.016,626 -0.001,627 0.014,628 0.024,629 -0.018,630 -0.036,631 -0.041,632 -0.132,633 -0.079,634 -0.11,635 -0.145,636 -0.008,637 -0.096,638 0.03,639 -0.011,640 0.042,641 0.008,642 0.022,643 0.094,644 0.019,645 0.045,646 0.046,647 0.057,648 -0.022,649 -0.02,650 -0.057,651 -0.079,652 -0.074,653 -0.101,654 0.127,655 -0.126,656 0.18,657 -0.007,658 0.205,659 0.01,660 -0.054,661 0.133,662 0.042,663 0.093,664 -0.041,665 0.119,666 1.091,667 2.149,668 0.48,669 26.525,670 0.995,671 1.125,672 3.178,673 10.102,674 0.681,675 3.296,676 3.497,677 3.584,678 3.714,679 3.829,680 3.611,681 3.584,682 3.497,683 3.367,684 3.296,685 8.259,686 0.624,687 377.98,688 3.296,689 4.762,690 5.525,691 6.326,692 7.102,693 7.905,694 8.687,695 9.49,696 10.275,697 11.078,698 6.1,701 1,705 2,715 9,720 3,722 12,740 1,741 49,743 13,744 2,745 26,747 50,748 19,749 12,750 3,751 9,756 2,757 2,758 1,761 1,772 13,773 6,777 1,783 1,786 1,790 1,793 24,794 4,795 2,796 6,797 2,802 3,808 1,809 1,829 2,855 1,858 1,859 2,862 1,864 1,865 1,868 25,876 5,877 2,878 1,881 1,892 1,893 2,897 1,901 13.167,902 8.676,903 5.75,904 2.748,907 1.757,908 1.275,909 0.944,910 9.04,911 8.144,912 3.526,913 3.97,914 4.331,915 4.762,916 5.2,917 4.878,918 4.933,919 4.938,920 4.553,921 4.52,922 1,923 29,924 9.18,926 3.585,927 0.026,929 7.598,931 17.774,933 13.552,936 2.098,937 52.444,939 1,940 1,941 258.964,942 164.104,943 39.146,944 39.149,945 11,947 45.192,948 118.912,949 309.113,950 39.146,951 8.396,952 51.523,953 85.286,954 11,955 12.567,956 0.285,957 258.964,958 84.341,959 258.964,960 158.058,961 11,962 84.341,964 258.964,966 11,968 54.648,969 103.41,970 39.149,971 45.192,972 258.964,973 50.146,974 203.253,977 258.964,978 25.229,979 96.807,980 36.022,981 95.341,982 258.964,983 50.146,984 203.253,986 0.553,987 0.291,988 0.149,989 0.082,990 11,991 5,992 0.18,993 9,995 1,996 4,997 170.201,999 12,1000 108.096,1002 1,1005 19.98,1006 11.311,1007 8.538,1009 50.146,1010 17.837,1015 2.922,1017 36.022,1018 512.363,1019 33,1025 5.242,1028 0.576,1031 48.752,1032 55.136,1034 0.289,1035 0.596,1036 0.767,1037 0.864,1038 0.888,1039 0.888,1040 4.691,1041 1.012,1042 5.434,1043 3.007,1044 4.174,1045 4.654,1046 2.243,1047 6.047,1048 4.031,1049 5.816,1050 1,1051 6.866,1052 2.275,1053 3.434,1054 4.086,1055 1.404,1056 6.475,1057 3.117,1058 7.043,1059 1,1060 8.386,1061 2.136,1062 5.58,1063 6.619,1064 2.792,1065 9.49,1066 5.316,1067 8.297,1068 0.327,1069 9.956,1070 2.13,1071 5.602,1072 6.796,1073 2.615,1074 10.71,1075 5.179,1076 9.58,1077 0.06,1078 11.558,1079 0.736,1080 7.198,1081 8.844,1082 3.661,1083 13.187,1084 6.833,1085 10.88,1086 -0.197,1087 13.182,1088 0.133,1089 7.616,1090 9.396,1091 3.817,1092 14.773,1093 7.122,1094 12.196,1095 -0.549,1096 14.82,1097 -0.46,1098 8.934,1099 11.198,1100 4.672,1101 17.014,1102 8.48,1103 2.677,1104 -0.695,1105 16.47,1106 -1.212,1107 9.58,1108 11.973,1109 5.004,1110 18.793,1111 9.022,1112 2.625,1113 7.483,1114 18.127,1115 -1.618,1116 10.743,1117 13.62,1118 5.744,1119 20.918,1120 10.207,1121 2.326,1122 7.392,1123 19.792,1124 3.629,1125 11.524,1126 14.543,1127 6.173,1128 22.801,1129 10.902,1130 2.164,1131 6.069,1132 21.461,1133 3.455,1134 12.601,1135 16.083,1136 6.844,1137 24.867,1138 11.984,1139 1.944,1140 5.518,1141 23.134,1142 2.909,1143 13.462,1144 17.109,1145 7.329,1146 26.807,1147 12.773,1148 1.655,1149 5.186,1150 24.812,1151 2.506,1152 14.491,1153 18.573,1154 7.958,1155 28.843,1156 13.794,1157 1.41,1158 3.433,1159 26.492,1160 2.363,1161 15.399,1162 19.672,1163 8.476,1164 30.814,1165 14.639,1166 8731,1167 14828,1168 17.277,1169 33.353,1170 36.702,1171 38.138,1172 37.107,1173 36.558,1174 36.401,1175 45.939,1176 7.916,1177 90.997,1178 33.655,1179 5.006,1180 5.785,1181 5.347,1182 4.69,1183 4.677,1184 6.629,1185 3.124,1186 12.91,1187 4.558,1188 11.462,1189 1.412,1190 1.467,1191 1.427,1192 1.406,1193 1.4,1194 1.767,1195 0.304,1196 3.5,1197 1.294,1198 3.939,1199 3.976,1200 4.025,1201 3.867,1202 4.977,1203 3.86,1204 3.901,1205 3.932,1206 3.872,1207 3.839,1208 4.827,1209 3.83,1210 3.685,1211 3.742,1212 3.845,1213 3.492,1214 4.757,1215 3.485,1216 3.557,1217 3.633,1218 3.523,1219 3.394,1220 4.572,1221 3.37,1222 3.302,1223 3.355,1224 3.322,1225 3.154,1226 4.308,1227 3.117,1228 3.108,1229 3.188,1230 3.272,1231 2.952,1232 4.173,1233 2.928,1234 2.958,1235 3.052,1236 2.939,1237 2.78,1238 3.8,1239 2.753,1240 2.854,1241 2.925,1242 2.728,1243 2.755,1244 3.674,1245 2.715,1246 0.156,1247 0.146,1248 0.212,1249 0.139,1250 0.103,1251 4.043,1252 0.14,1253 3.785,1254 0.068,1255 5.52,1256 0.288,1257 3.614,1258 0.098,1259 2.677,1260 3.629,1261 1.762,1262 7.483,1263 2.558,1264 1.915,1265 1.883,1266 2.049,1267 2.017,1268 1.209,1269 2.03,1270 1.882,1271 1.857,1272 1.97,1273 1.974,1274 1.075,1275 1.983,1276 1.622,1277 1.561,1278 1.858,1279 1.862,1280 1.053,1281 1.865,1282 1.511,1283 1.438,1284 1.752,1285 1.745,1286 0.981,1287 1.758,1288 1.229,1289 1.18,1290 1.525,1291 1.479,1292 0.692,1293 1.496,1294 1.105,1295 1.037,1296 1.359,1297 1.311,1298 0.5,1299 1.344,1300 0.996,1301 0.903,1302 1.243,1303 1.221,1304 0.324,1305 1.274,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 3.97,1314 5.198,1316 6.594,1318 8.065,1320 9.574,1322 2.097,1323 5.852,1328 3.797,1329 6.226,1330 5.649,1333 2.246,1340 30.588,1341 79.616,1342 163.956,1343 211.082,1344 237.611,1345 244.366,1346 244.366,1347 40.424,1348 6.387,1349 36.53,1350 68.62,1351 12,1352 11.677,1353 3.807,1354 3,1355 52.392,1356 127,1357 103,1358 0.193,1359 201.589,1360 347.77,1361 483.638,1362 5318,1363 2,1364 17.908,1365 0.716,1366 0.638,1367 18.908,1368 15.946,1369 12.131,1370 0.467,1371 0.347,1372 8.193,1373 11.18,1374 7.895,1375 6.588,1376 12.708,1377 9.025,1378 10.303,1379 0.322,1380 0.205,1381 11.12,1382 6.568,1383 7.475,1384 0.214,1385 0.116,1386 8.026,1387 4.045,1388 5.701,1389 0.143,1390 0.065,1391 6.136,1392 2.588,1393 4.384,1394 0.097,1395 0.037,1396 4.81,1397 1.652,1398 0.326,1399 81.408,1400 0.241,1401 25.708,1402 0.473,1403 116,1404 325.11,1405 153.9,1406 368.778,1407 477.83,1408 344,1409 125,1410 294.575,1411 151.54,1412 321.098,1413 455.83,1414 299,1415 5.745}
{0 CHEMBL102077,1 1.411,2 9.5,3 2.248,4 5.051,5 69.373,6 5.916,8 3.744,9 3.892,10 3.144,11 3.18,12 4.606,13 3.063,14 4.358,15 4.608,16 3.436,17 3.524,18 5.167,19 3.366,20 4.578,21 4.847,22 3.238,23 3.697,24 5.267,25 3.45,26 4.735,27 5.07,28 3.187,29 3.598,30 5.413,31 3.318,32 4.38,33 4.656,34 3.094,35 3.308,36 5.206,37 3.105,38 4.063,39 4.283,40 3.24,41 3.281,42 5.076,43 3.08,44 4.147,45 4.365,46 2.78,47 3.204,48 5.16,49 2.965,50 3.883,51 4.123,52 2.543,53 2.984,54 4.721,55 2.818,56 0.046,57 0.54,58 11.79,59 4.305,60 5.654,61 5.897,62 0.364,63 0.792,64 23.17,65 6.412,66 23.151,67 9.032,68 0.216,69 0.926,70 24.66,71 8.776,72 15.827,73 11.861,74 0.281,75 0.86,76 28.898,77 8.688,78 31.209,79 11.587,80 0.397,81 0.628,82 22.944,83 5.887,84 28.396,85 7.806,86 0.143,87 0.582,88 18.126,89 5.805,90 22.473,91 6.988,92 0.302,93 0.559,94 22.831,95 5.77,96 34.024,97 6.714,98 0.12,99 0.451,100 11.128,101 3.715,102 14.883,103 5.528,104 46,105 18,106 0.262,107 0.404,108 0.691,109 0.753,110 0.77,111 0.77,112 2.846,113 1.447,114 0.04,115 -0.12,116 -0.31,121 28.6,122 1,123 4,126 3,127 3,161 1,176 4,179 1,180 2,187 4,194 1,200 3,206 2,214 2,219 2,221 1,227 1,229 1,232 2,239 1,244 2,253 1,256 2,266 1,279 1,281 324,282 10.044,283 10.044,284 10.044,285 10.044,286 10.044,287 9.889,288 8.1,289 6.502,290 10.547,291 7.393,292 7.393,293 7.393,294 7.393,295 7.393,296 7.091,297 8.351,298 3.102,299 8.153,300 3.982,301 3.213,302 1.668,303 1.334,304 1.239,305 1.239,306 3.442,312 1,313 277,314 4.243,325 1.75,326 12.764,329 1,330 0.83,331 0.83,332 0.5,333 1,334 1,335 1,336 0.88,337 34.5,338 152,339 4.099,340 4.699,341 6.394,342 4.002,343 3.099,344 3.101,345 4.73,346 9.951,347 2.798,348 3.652,349 3.488,350 5.033,351 3.239,352 2.371,353 2.821,354 1.2,355 6.086,356 2.011,357 2.805,358 3.196,359 3.793,360 2.778,361 1.792,362 1.803,363 0.946,364 3.538,365 1.763,366 2.33,367 1.875,368 3.508,369 2.248,370 1.33,371 1.33,373 2.66,374 1.208,375 2.16,376 1.716,377 3.187,378 2.018,379 1.068,380 1.115,382 2.094,383 0.998,384 1.567,385 1.441,386 2.732,387 1.429,388 0.501,389 0.515,391 0.862,392 0.452,393 0.927,394 0.867,395 2.26,396 0.745,397 -0.157,398 -0.157,400 -0.309,401 -0.14,402 0.81,403 0.434,404 2,405 0.592,406 -0.382,407 -0.426,409 -0.741,410 -0.36,411 0.151,412 -0.12,413 2,414 -0.019,415 -1,416 -1,418 -1.877,419 -0.9,421 -0.481,422 1.745,423 -0.1,424 -1,425 -1,427 -3,428 -0.9,430 -0.6,431 1.371,432 -0.1,433 -1,434 -1.069,435 -0.4,436 -3,437 -0.949,438 -0.191,439 -0.6,440 1,441 -0.362,442 -1.28,443 -1.449,444 -0.4,445 -3.033,446 -1.176,447 -0.54,448 -1.074,449 0.533,450 -0.645,451 -1.557,452 -1.665,453 -0.4,454 -3.513,455 -1.339,456 -0.815,457 -1.468,458 0.397,459 -0.903,460 -1.831,461 -1.953,462 -1.641,463 -4.485,464 -1.674,465 -0.954,466 -1.754,467 0.047,468 -1.123,469 -1.954,470 -1.965,471 -4.036,472 -5.234,473 -1.793,474 7.9,475 0.494,476 0.459,477 0.029,478 10.75,479 0.672,480 1.5,481 0.094,482 9.25,483 0.578,484 17.31,485 1.082,486 21.2,487 0.505,488 5.71,489 0.357,490 1.61,491 0.101,492 5.845,493 0.365,494 0.295,495 0.051,496 0.063,501 0.807,502 1.846,503 0.992,504 1.423,505 0.629,506 1.451,507 0.99,508 0.994,509 1.079,510 1.061,511 0.455,512 1.001,513 0.614,514 1.255,515 1.024,516 1.228,517 0.58,518 1.308,519 0.938,520 0.828,521 0.857,522 0.866,523 1.025,524 0.778,525 2.112,526 0.736,527 1.273,528 0.875,529 1.807,530 0.78,531 1.437,532 1.266,533 1.319,534 1.314,535 1.768,536 1.15,537 2.651,538 1.266,539 2.714,540 1.904,541 3.733,542 1.287,543 1.339,544 1.285,545 0.932,546 1.075,547 1.277,548 1.322,549 4,550 0.05,551 1.111,552 0.625,553 0.32,554 0.389,555 0.163,556 0.125,557 0.074,558 0.06,559 1911,560 3510,561 1.725,562 61.9,563 9,564 15,569 2,572 1.54,573 1.587,574 3.21,575 -0.734,582 59.246,583 1.411,584 2.179,585 3.725,586 4.058,587 4.153,588 4.153,589 2.703,590 3.203,591 3.968,592 3.419,593 410.227,594 6.63,595 3938.39,600 226.477,601 1.491,602 3.882,603 0.267,604 0.01,605 0.062,606 0.045,607 0.025,608 0.032,609 0.013,610 0.014,611 0.009,612 0.01,613 0.486,614 0.83,615 1,616 2.649,617 68.563,618 0.041,619 -0.388,620 0.074,621 -0.136,622 -0.027,623 -0.124,624 0.151,625 0.195,626 0.071,627 0.037,628 0.207,629 0.058,630 0.053,631 -0.175,632 -0.112,633 -0.188,634 -0.036,635 -0.232,636 0.033,637 0.001,638 0.112,639 0.049,640 0.01,641 0.112,642 -0.164,643 0.166,644 -0.026,645 0.152,646 -0.177,647 0.125,648 -0.051,649 -0.09,650 0.098,651 0.023,652 0.084,653 -0.016,654 -0.478,655 -0.079,656 -0.633,657 -0.274,658 -0.458,659 -0.209,660 -0.168,661 -0.217,662 -0.218,663 -0.218,664 -0.062,665 -0.28,666 1.787,667 4.295,669 13.563,670 0.985,671 1.144,672 -1.267,673 1.604,674 0.597,675 2.773,676 2.944,677 2.708,678 2.639,679 2.565,680 2.639,681 2.303,682 2.197,683 1.946,684 1.792,685 5.805,686 0.529,687 248.46,688 2.773,689 4.205,690 4.875,691 5.659,692 6.347,693 7.14,694 7.834,695 8.632,696 9.329,697 10.131,698 2.4,712 1,741 42,743 1,745 15,747 41,748 12,762 1,763 1,770 4,772 1,773 11,777 1,782 1,786 1,793 26,794 2,796 4,797 1,802 1,803 1,807 1,809 2,862 1,864 4,868 16,876 7,878 1,879 1,883 1,893 4.8,896 1,898 1,901 10.083,902 8.5,903 3.792,904 2.917,907 0.104,908 1.021,909 0.831,910 8.998,911 5.024,912 2.833,913 3.045,914 2.833,915 2.773,916 2.708,917 2.89,918 2.398,919 2.303,920 1.946,921 1.792,922 1,923 14,924 5.956,926 2.171,927 0.026,929 7.625,931 11.786,933 8.628,934 -0.001,936 2.125,937 34,938 0.006,941 306.049,942 89.526,945 36.145,947 32.22,948 57.307,949 342.193,951 34.014,952 17.736,954 25.145,955 11,956 5.556,957 338.268,959 306.049,960 57.307,961 36.145,962 32.22,964 282.506,965 59.687,968 26.561,969 30.746,971 32.22,972 306.049,973 36.145,974 89.526,977 306.049,978 55.512,979 34.014,981 36.145,982 306.049,983 36.145,984 89.526,986 0.545,987 0.231,988 0.096,989 0.047,990 4,991 3,992 0.244,993 10,996 2.86,997 79.698,1000 59.245,1001 1,1005 15.948,1006 9.028,1007 12.948,1009 36.145,1018 431.72,1019 16,1024 11.295,1028 -0.12,1031 41.378,1032 48.027,1034 0.262,1035 0.404,1036 0.691,1037 0.753,1038 0.77,1039 0.77,1040 4.007,1041 -0.382,1042 4.875,1043 -0.309,1044 3.611,1045 3.714,1046 3.81,1047 5.533,1048 3.418,1049 5.118,1050 -1,1051 6.358,1052 -0.741,1053 3.434,1054 3.611,1055 3.665,1056 6.823,1057 3.115,1058 6.368,1059 -1,1060 7.973,1061 -1.877,1062 5.176,1063 5.38,1064 6.655,1065 9.471,1066 4.761,1067 7.653,1068 -1,1069 9.671,1070 -3,1071 5.771,1072 6.019,1073 7.162,1074 11.509,1075 5.225,1076 8.973,1077 -1.28,1078 11.42,1079 -3,1080 7.106,1081 7.367,1082 9.651,1083 13.871,1084 6.472,1085 10.312,1086 -1.557,1087 13.202,1088 -3.033,1089 8.015,1090 8.288,1091 10.478,1092 16.1,1093 7.263,1094 11.667,1095 -1.831,1096 15.005,1097 -3.513,1098 9.21,1099 9.488,1100 12.679,1101 18.409,1102 8.368,1103 3.099,1104 -1.954,1105 16.822,1106 -4.485,1107 10.247,1108 10.52,1109 13.711,1110 20.687,1111 9.298,1112 2.371,1113 9.951,1114 18.649,1115 -5.234,1116 11.396,1117 11.665,1118 15.725,1119 22.986,1120 10.353,1121 1.792,1122 6.086,1123 20.483,1124 3.101,1125 12.485,1126 12.743,1127 16.902,1128 25.278,1129 11.34,1130 1.33,1131 3.538,1132 22.322,1133 2.821,1134 13.618,1135 13.867,1136 18.786,1137 27.576,1138 12.377,1139 1.068,1140 2.66,1141 24.164,1142 1.803,1143 14.73,1144 14.965,1145 20.065,1146 29.872,1147 13.388,1148 0.501,1149 2.094,1150 26.01,1151 1.33,1152 15.86,1153 16.083,1154 21.858,1155 32.169,1156 14.42,1157 -0.157,1158 0.862,1159 27.858,1160 1.115,1161 16.982,1162 17.191,1163 23.212,1164 34.466,1165 15.441,1166 2201,1167 3116,1168 8.723,1169 25.08,1170 20.427,1171 23.719,1172 20.493,1173 20.388,1174 20.322,1175 21.37,1176 13.753,1177 50.382,1178 18.46,1179 5.053,1180 6.453,1181 6.347,1182 5.124,1183 5.053,1184 5.066,1185 8.766,1186 15.185,1187 4.591,1188 10.83,1189 1.362,1190 1.581,1191 1.366,1192 1.359,1193 1.355,1194 1.425,1195 0.917,1196 3.359,1197 1.231,1198 3.851,1199 3.934,1200 3.927,1201 3.664,1202 7.432,1203 3.639,1204 3.743,1205 3.809,1206 3.684,1207 3.583,1208 4.501,1209 3.583,1210 3.502,1211 3.538,1212 3.502,1213 3.39,1214 4.272,1215 3.329,1216 3.348,1217 3.404,1218 3.165,1219 3.109,1220 4.193,1221 3.113,1222 3.073,1223 3.137,1224 2.967,1225 2.927,1226 3.904,1227 2.871,1228 2.874,1229 3.009,1230 2.643,1231 2.618,1232 3.467,1233 2.607,1234 2.874,1235 3.009,1236 2.499,1237 2.618,1238 3.467,1239 2.57,1240 2.871,1241 2.941,1242 2.499,1243 2.613,1244 3.444,1245 2.57,1246 0.273,1247 0.313,1248 0.426,1249 0.267,1250 0.207,1251 4.099,1252 0.207,1253 4.699,1254 0.315,1255 6.394,1256 0.663,1257 4.002,1258 0.187,1259 3.099,1260 3.101,1261 4.73,1262 9.951,1263 2.798,1264 1.771,1265 1.703,1266 2.014,1267 2.039,1268 1.354,1269 2.038,1270 1.756,1271 1.68,1272 2.01,1273 1.915,1274 1.268,1275 1.957,1276 1.476,1277 1.423,1278 1.757,1279 1.662,1280 1.036,1281 1.709,1282 1.287,1283 1.233,1284 1.593,1285 1.576,1286 0.783,1287 1.578,1288 1.065,1289 1.001,1290 1.417,1291 1.281,1292 0.636,1293 1.343,1294 0.934,1295 0.804,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.934,1301 0.804,1302 1.392,1303 1.239,1304 0.469,1305 1.308,1306 0.813,1307 0.761,1308 1.045,1309 1.13,1310 0.261,1311 1.114,1312 3.434,1314 4.635,1316 5.969,1318 7.362,1320 8.787,1322 8.454,1328 7.101,1330 5.133,1331 1.309,1335 0.828,1340 22.223,1341 59.246,1342 91.511,1343 156.438,1344 170.438,1345 174.438,1346 174.438,1347 57.586,1348 4.92,1349 26.3,1350 51.6,1352 10.755,1353 1,1354 1,1355 61.553,1356 54,1357 56,1358 0.545,1359 150.333,1360 261.93,1361 358.571,1362 594,1364 12.441,1365 0.778,1366 0.749,1367 12.795,1368 11.991,1369 7.455,1370 0.497,1371 0.482,1372 6.227,1373 6.627,1374 5.831,1375 5.057,1376 7.909,1377 7.236,1378 6.761,1379 0.376,1380 0.353,1381 7.431,1382 6.349,1383 3.424,1384 0.245,1385 0.224,1386 4,1387 3.136,1388 2.222,1389 0.171,1390 0.142,1391 2.701,1392 1.848,1393 1.335,1394 0.111,1395 0.095,1396 1.71,1397 1.136,1398 0.895,1399 51.681,1400 0.339,1401 17.227,1402 1.375,1403 66,1404 180.664,1405 98.146,1406 185.869,1407 234.3,1408 172,1409 65,1410 138.557,1411 87.736,1412 152.752,1413 215.04,1414 138,1415 4.049}
{0 CHEMBL102142,1 1.544,2 14.852,3 3.795,4 14.4,5 114.485,6 7.14,7 0.429,8 4.041,9 4.173,10 3.559,11 3.566,12 5.092,13 3.515,14 4.57,15 4.767,16 3.854,17 3.899,18 5.579,19 3.82,20 4.779,21 4.992,22 3.847,23 4.046,24 5.755,25 3.908,26 4.874,27 5.14,28 3.819,29 3.982,30 5.837,31 3.817,32 4.778,33 5.044,34 3.737,35 3.871,36 5.704,37 3.721,38 4.637,39 4.878,40 3.664,41 3.839,42 5.578,43 3.675,44 4.672,45 4.929,46 3.521,47 3.764,48 5.627,49 3.582,50 4.524,51 4.801,52 3.436,53 3.636,54 5.353,55 3.464,56 0.042,57 0.757,58 11.915,59 4.977,60 7.917,61 6.798,62 0.311,63 1.185,64 23.138,65 7.609,66 27.372,67 10.851,68 0.335,69 1.383,70 29.616,71 10.748,72 36.775,73 14.36,74 0.339,75 1.429,76 35.091,77 11.602,78 57.469,79 15.694,80 0.438,81 1.281,82 32.901,83 10.05,84 49.507,85 13.389,86 0.239,87 1.177,88 27.379,89 9.493,90 34.883,91 12.414,92 0.419,93 1.151,94 30.298,95 9.541,96 55.9,97 12.364,98 0.248,99 1.014,100 25.18,101 8.082,102 29.097,103 11.054,104 17,105 35,106 0.258,107 0.563,108 0.737,109 0.819,110 0.853,111 0.853,112 3.338,113 1.009,114 -3.9,115 -3.86,116 -3.66,121 38.9,122 1,126 1,127 5,144 9,145 3,160 1,161 1,176 13,180 2,183 1,184 1,185 1,187 14,191 1,192 4,195 1,197 2,200 8,206 4,209 1,211 3,214 1,219 3,222 1,224 3,232 3,235 1,237 3,243 1,244 3,249 1,256 3,259 1,261 2,269 2,274 2,281 1244,282 18.035,283 18.035,284 18.035,285 18.035,286 18.035,287 16.261,288 19.958,289 11.269,290 18.489,291 13.843,292 13.843,293 13.843,294 13.843,295 13.843,296 11.221,297 21.504,298 5.444,299 14.539,300 4.211,301 2.39,302 1.348,303 0.857,304 0.658,305 0.658,306 4.006,311 1,312 1,313 829,314 4.301,318 229.167,325 2.25,326 19.883,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 57.5,338 401,339 4.195,340 3.833,341 6.049,342 3.836,343 2.839,344 3.762,345 1.773,346 8.671,347 2.831,348 3.927,349 3.463,350 5.484,351 3.596,352 2.625,353 3.455,354 0.99,355 7.392,356 2.558,357 3.741,358 2.95,359 5.105,360 3.341,361 2.392,362 3.074,363 0.916,364 6.283,365 2.305,366 3.51,367 2.587,368 4.946,369 3.113,370 2.176,371 2.725,372 0.86,373 5.784,374 2.023,375 3.294,376 2.463,377 4.819,378 3.083,379 2.149,380 2.364,381 0.172,382 5.517,383 1.957,384 2.86,385 2.239,386 4.011,387 2.58,388 1.687,389 1.969,390 0.14,391 3.567,392 1.507,393 2.776,394 1.883,395 3.728,396 2.407,397 1.418,398 1.787,400 3.18,401 1.397,402 2.659,403 1.577,404 3.564,405 2.251,406 1.266,407 1.642,409 2.979,410 1.225,411 2.5,412 1.477,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.5,421 1,422 3.247,423 2,424 1,425 1.5,427 2.136,428 1,429 2.072,430 1,431 3.169,432 1.903,433 0.972,434 1.036,436 2.051,437 0.894,438 1.361,439 0.941,440 2.757,441 1.182,442 0.278,443 0.291,445 0.61,446 0.249,447 1.117,448 0.733,449 2.455,450 0.803,451 -0.166,452 -0.19,454 -0.391,455 -0.16,456 1.016,457 0.201,458 2.117,459 0.757,460 -0.222,461 -0.268,463 -0.494,464 -0.214,465 1,466 0.129,467 2,468 0.483,469 -0.493,470 -0.554,472 -1.116,473 -0.474,474 13.2,475 0.489,476 0.544,477 0.02,478 31,479 1.148,480 14.5,481 0.537,482 16.5,483 0.611,484 22.246,485 0.824,486 30,487 0.556,488 22.992,489 0.852,490 6.689,491 0.248,492 6.353,493 0.235,494 0.164,496 0.22,501 0.857,502 1.348,503 0.761,504 1.033,505 0.639,506 1.036,507 1.174,508 1.006,509 0.855,510 0.884,511 0.674,512 0.939,513 1.046,514 1.133,515 1.083,516 1.112,517 0.968,518 1.154,519 0.931,520 1.076,521 0.925,522 1.034,523 0.961,524 0.987,525 1.395,526 0.857,527 0.996,528 0.855,529 1.188,530 0.84,531 1.08,532 1.062,533 1.101,534 1.095,535 1.071,536 1.075,537 1.35,538 0.995,539 1.259,540 1.07,541 1.471,542 1.021,543 0.936,544 0.911,545 0.964,546 0.96,547 0.615,548 0.908,549 5,550 0.107,551 2.222,552 1.313,553 1.013,554 0.604,555 0.304,556 0.208,557 0.164,558 0.071,559 10812,560 27264,561 1.975,562 50,563 3,564 22,567 2,572 1.69,573 1.862,574 3.842,575 0.231,577 1,582 83.388,583 1.544,584 3.365,585 4.407,586 4.898,587 5.097,588 5.097,589 3.264,590 4.31,591 4.73,592 4.029,593 1414.24,594 8.148,595 20908.3,597 1,599 1,600 310.764,601 1.311,602 4.691,603 0.179,604 0.006,605 0.063,606 0.04,607 0.035,608 0.022,609 0.012,610 0.01,611 0.008,612 0.004,613 0.38,614 0.33,615 1,616 0.584,617 141.215,618 -0.025,619 -0.166,620 0.023,621 -0.064,622 -0.049,623 -0.024,624 -0.008,625 0.09,626 0.013,627 0.03,628 0.051,629 0.015,630 0.004,631 -0.103,632 -0.138,633 -0.128,634 -0.038,635 -0.171,636 0.083,637 -0.124,638 0.076,639 -0.065,640 0.148,641 -0.016,642 -0.059,643 0.105,644 0.063,645 0.107,646 -0.042,647 0.102,648 -0.043,649 -0.052,650 -0.044,651 -0.073,652 -0.038,653 -0.093,654 -0.026,655 -0.027,656 -0.116,657 -0.04,658 -0.096,659 -0.062,660 0.029,661 0.049,662 0.072,663 0.022,664 0.031,665 0.063,666 1.879,667 5.051,668 0.444,669 30.299,670 0.993,671 1.126,672 2.674,673 7.151,674 0.661,675 3.367,676 3.584,677 3.689,678 3.807,679 3.912,680 3.761,681 3.638,682 3.611,683 3.497,684 3.367,685 8.676,686 0.611,687 385.58,688 3.367,689 4.844,690 5.617,691 6.425,692 7.212,693 8.023,694 8.815,695 9.628,696 10.424,697 11.237,698 5.6,701 1,705 2,715 9,720 3,722 12,741 54,743 14,744 2,745 28,747 55,748 21,749 12,750 3,751 9,752 1,756 2,757 2,761 1,763 1,772 14,773 7,777 2,782 1,783 1,786 2,790 1,793 27,794 5,795 2,796 6,797 1,802 3,805 1,808 1,809 2,829 2,855 1,858 1,859 2,862 1,864 2,868 27,876 5,877 2,878 1,881 1,893 3.7,896 1,897 1,901 14.5,902 9.95,903 6.194,904 3.067,907 1.723,908 1.265,909 0.937,910 9.253,911 8.229,912 3.611,913 4.06,914 4.443,915 4.86,916 5.272,917 5.097,918 5.023,919 4.982,920 4.854,921 4.553,922 0.9,923 33,924 9.958,926 3.932,927 0.026,929 7.685,931 19.14,933 14.611,936 2.185,937 59,939 1,940 1,941 294.278,942 177.748,943 39.146,945 36.145,947 45.192,948 132.556,949 330.422,950 39.146,951 17.222,952 51.523,953 85.286,954 40.849,955 12.681,956 0.285,957 294.278,958 45.192,959 294.278,960 171.701,961 36.145,962 45.192,964 294.278,965 25.145,966 11,968 63.473,969 108.229,971 45.192,972 294.278,973 75.291,974 177.748,977 294.278,978 30.048,979 105.632,980 36.022,981 81.337,982 294.278,983 75.291,984 177.748,986 0.558,987 0.299,988 0.15,989 0.08,990 12,991 6,992 0.164,993 9,995 1,996 4.141,997 190.912,999 12,1000 120.382,1002 1,1005 21.353,1006 11.7,1007 8.52,1009 75.291,1010 17.706,1015 2.984,1017 36.022,1018 547.316,1019 36,1024 12.051,1025 5.142,1028 0.098,1031 53.64,1032 60.816,1034 0.268,1035 0.585,1036 0.766,1037 0.851,1038 0.886,1039 0.886,1040 4.787,1041 1.266,1042 5.541,1043 3.18,1044 4.263,1045 4.745,1046 2.429,1047 6.188,1048 4.182,1049 5.926,1050 1,1051 7,1052 2.979,1053 3.611,1054 4.27,1055 1.404,1056 6.742,1057 3.504,1058 7.167,1059 1,1060 8.554,1061 2.275,1062 5.7,1063 6.728,1064 2.932,1065 9.762,1066 5.563,1067 8.437,1068 0.972,1069 10.164,1070 2.136,1071 5.832,1072 7.02,1073 2.615,1074 11.148,1075 5.695,1076 9.738,1077 0.278,1078 11.81,1079 2.051,1080 7.375,1081 8.986,1082 3.758,1083 13.652,1084 7.21,1085 11.058,1086 -0.166,1087 13.483,1088 0.61,1089 7.902,1090 9.657,1091 3.838,1092 15.416,1093 7.753,1094 12.395,1095 -0.222,1096 15.176,1097 -0.391,1098 9.183,1099 11.383,1100 4.753,1101 17.715,1102 9.011,1103 2.839,1104 -0.493,1105 16.884,1106 -0.494,1107 9.928,1108 12.272,1109 5.046,1110 19.668,1111 9.774,1112 2.625,1113 8.671,1114 18.604,1115 -1.116,1116 11.076,1117 13.856,1118 5.824,1119 21.88,1120 10.908,1121 2.392,1122 7.392,1123 20.335,1124 3.762,1125 11.944,1126 14.883,1127 6.233,1128 23.93,1129 11.791,1130 2.176,1131 6.283,1132 22.074,1133 3.455,1134 13.026,1135 16.376,1136 6.93,1137 26.105,1138 12.864,1139 2.149,1140 5.784,1141 23.82,1142 3.074,1143 13.963,1144 17.496,1145 7.405,1146 28.204,1147 13.812,1148 1.687,1149 5.517,1150 25.573,1151 2.725,1152 15.013,1153 18.928,1154 8.054,1155 30.365,1156 14.857,1157 1.418,1158 3.567,1159 27.331,1160 2.364,1161 15.989,1162 20.111,1163 8.567,1164 32.49,1165 15.841,1166 10675,1167 17109,1168 18.375,1169 35.711,1170 39.93,1171 42.005,1172 40.587,1173 39.616,1174 39.603,1175 50.21,1176 9.705,1177 100.887,1178 37.891,1179 5.163,1180 5.833,1181 5.876,1182 4.912,1183 4.839,1184 6.762,1185 3.162,1186 14.803,1187 4.831,1188 13.839,1189 1.426,1190 1.5,1191 1.45,1192 1.415,1193 1.414,1194 1.793,1195 0.347,1196 3.603,1197 1.353,1198 3.957,1199 3.989,1200 3.966,1201 3.888,1202 7.429,1203 3.884,1204 3.916,1205 3.95,1206 3.845,1207 3.85,1208 4.852,1209 3.843,1210 3.696,1211 3.753,1212 3.823,1213 3.514,1214 4.757,1215 3.499,1216 3.586,1217 3.657,1218 3.523,1219 3.409,1220 4.704,1221 3.397,1222 3.414,1223 3.465,1224 3.3,1225 3.211,1226 4.57,1227 3.217,1228 3.215,1229 3.282,1230 3.234,1231 3.073,1232 4.174,1233 3.034,1234 3.073,1235 3.158,1236 2.939,1237 2.942,1238 3.861,1239 2.903,1240 2.958,1241 3.052,1242 2.743,1243 2.77,1244 3.8,1245 2.743,1246 0.15,1247 0.137,1248 0.216,1249 0.137,1250 0.101,1251 4.195,1252 0.134,1253 3.833,1254 0.063,1255 6.049,1256 0.31,1257 3.836,1258 0.101,1259 2.839,1260 3.762,1261 1.773,1262 8.671,1263 2.831,1264 1.927,1265 1.903,1266 2.049,1267 2.018,1268 1.209,1269 2.03,1270 1.915,1271 1.883,1272 2.042,1273 2.013,1274 1.14,1275 2.023,1276 1.626,1277 1.566,1278 1.859,1279 1.869,1280 1.067,1281 1.871,1282 1.527,1283 1.459,1284 1.756,1285 1.763,1286 0.983,1287 1.772,1288 1.346,1289 1.297,1290 1.572,1291 1.59,1292 0.693,1293 1.583,1294 1.193,1295 1.126,1296 1.523,1297 1.44,1298 0.637,1299 1.471,1300 1.081,1301 1.012,1302 1.359,1303 1.309,1304 0.5,1305 1.35,1306 0.996,1307 0.902,1308 1.297,1309 1.222,1310 0.322,1311 1.274,1312 4.043,1314 5.283,1316 6.693,1318 8.179,1320 9.704,1322 4.053,1328 3.476,1329 5.653,1330 5.619,1333 2.217,1340 33.003,1341 83.388,1342 181.705,1343 237.97,1344 264.499,1345 275.254,1346 275.254,1347 54.545,1348 6.506,1349 53.6,1350 85.69,1351 12,1352 11.827,1353 3.907,1354 3.17,1355 59.193,1356 144,1357 116,1358 0.192,1359 213.51,1360 373.31,1361 512.724,1362 6194,1364 19.485,1365 0.722,1366 0.619,1367 19.985,1368 16.72,1369 13.042,1370 0.466,1371 0.336,1372 8.914,1373 12.335,1374 8.578,1375 7.201,1376 13.33,1377 9.413,1378 11.175,1379 0.319,1380 0.195,1381 11.583,1382 6.82,1383 8.244,1384 0.211,1385 0.109,1386 8.506,1387 4.232,1388 6.249,1389 0.142,1390 0.06,1391 6.537,1392 2.653,1393 4.584,1394 0.094,1395 0.034,1396 4.752,1397 1.674,1398 0.324,1399 84.274,1400 0.233,1401 27.39,1402 0.472,1403 126,1404 362.642,1405 150.595,1406 373.28,1407 489.15,1408 348,1409 137,1410 321.348,1411 155.775,1412 339.303,1413 482.23,1414 315,1415 7.114}
{0 CHEMBL102226,1 1.387,2 10.294,3 2.704,4 7.31,5 73.974,6 5.833,8 3.81,9 3.96,10 3.193,11 3.251,12 4.657,13 3.132,14 4.428,15 4.678,16 3.478,17 3.6,18 5.219,19 3.437,20 4.66,21 4.935,22 3.29,23 3.772,24 5.328,25 3.521,26 4.805,27 5.14,28 3.242,29 3.679,30 5.466,31 3.399,32 4.479,33 4.761,34 3.154,35 3.415,36 5.271,37 3.204,38 4.197,39 4.433,40 3.292,41 3.391,42 5.149,43 3.182,44 4.271,45 4.503,46 2.945,47 3.337,48 5.235,49 3.085,50 4.043,51 4.299,52 2.664,53 3.141,54 4.789,55 2.936,56 0.053,57 0.579,58 12.589,59 4.644,60 6.048,61 6.379,62 0.368,63 0.855,64 24.42,65 6.967,66 23.792,67 9.824,68 0.226,69 1.003,70 26.309,71 9.464,72 16.665,73 12.845,74 0.285,75 0.938,76 30.322,77 9.363,78 31.227,79 12.548,80 0.399,81 0.704,82 24.513,83 6.573,84 28.463,85 8.794,86 0.154,87 0.657,88 19.88,89 6.498,90 23.329,91 7.988,92 0.303,93 0.641,94 24.549,95 6.577,96 34.247,97 7.747,98 0.141,99 0.531,100 14.768,101 4.747,102 12.57,103 6.565,104 49,105 19,106 0.253,107 0.389,108 0.668,109 0.743,110 0.781,111 0.781,112 2.902,113 1.45,114 -0.24,115 -0.37,116 -0.54,121 28.9,122 1,123 5,126 3,127 3,161 1,176 5,179 1,180 2,187 5,194 1,200 4,206 2,214 3,219 2,221 1,227 2,229 1,232 2,239 1,244 2,251 1,253 1,256 2,266 1,269 2,279 1,281 386,282 10.751,283 10.751,284 10.751,285 10.751,286 10.751,287 10.596,288 8.1,289 7.002,290 11.254,291 7.893,292 7.893,293 7.893,294 7.893,295 7.893,296 7.591,297 8.351,298 3.352,299 8.653,300 4.105,301 3.355,302 1.823,303 1.412,304 1.201,305 1.201,306 3.504,312 1,313 321,314 4.359,325 1.841,326 12.98,329 1,330 0.83,331 0.83,332 0.5,333 1,334 0.83,335 0.5,336 0.79,337 36.5,338 175,339 4.099,340 4.699,341 6.394,342 4.002,343 3.099,344 3.101,345 4.73,346 9.951,347 2.798,348 3.652,349 3.488,350 5.033,351 3.239,352 2.371,353 2.821,354 1.2,355 6.086,356 2.011,357 2.849,358 3.196,359 3.839,360 2.83,361 1.839,362 1.848,363 0.946,364 3.647,365 1.818,366 2.452,367 1.877,368 3.544,369 2.395,370 1.445,371 1.449,373 2.837,374 1.366,375 2.199,376 1.783,377 3.319,378 2.061,379 1.139,380 1.17,382 2.327,383 1.032,384 1.829,385 1.477,386 2.876,387 1.715,388 0.761,389 0.786,391 1.368,392 0.711,393 1.168,394 1.127,395 2.479,396 1.047,397 0.125,398 0.127,400 0.219,401 0.113,402 0.925,403 0.442,404 2,405 0.675,406 -0.257,407 -0.274,409 -0.566,410 -0.234,411 0.508,412 0.326,413 2,414 0.367,415 -0.613,416 -0.661,418 -1.097,419 -0.591,421 -0.472,422 2,423 -0.1,424 -1,425 -1,427 -2.292,428 -0.9,430 -0.542,431 1.536,432 -0.1,433 -1,434 -1,436 -3,437 -0.9,439 -0.6,440 1.288,441 -0.189,442 -1.166,443 -1.242,444 -0.4,445 -3,446 -1.089,447 -0.273,448 -0.6,449 0.816,450 -0.39,451 -1.301,452 -1.467,453 -0.4,454 -3.156,455 -1.176,456 -0.611,457 -1.297,458 0.527,459 -0.716,460 -1.631,461 -1.731,462 -0.4,463 -3.604,464 -1.444,465 -0.838,466 -1.468,467 0.313,468 -0.912,469 -1.85,470 -1.956,471 -1.641,472 -4.486,473 -1.675,474 8.4,475 0.494,476 0.459,477 0.027,478 11.25,479 0.662,480 1.5,481 0.088,482 9.75,483 0.574,484 18.982,485 1.117,486 22.5,487 0.5,488 5.817,489 0.342,490 1.61,491 0.095,492 6.345,493 0.373,494 0.278,495 0.048,496 0.06,501 0.807,502 1.824,503 1.009,504 1.427,505 0.63,506 1.454,507 0.985,508 1.027,509 1.091,510 1.086,511 0.456,512 1.036,513 0.606,514 1.233,515 1.013,516 1.209,517 0.571,518 1.282,519 0.932,520 0.839,521 0.86,522 0.873,523 1.017,524 0.793,525 2.018,526 0.758,527 1.234,528 0.879,529 1.73,530 0.802,531 1.33,532 1.225,533 1.25,534 1.261,535 1.636,536 1.128,537 2.449,538 1.204,539 2.437,540 1.728,541 3.469,542 1.232,543 1.256,544 1.26,545 1.316,546 1.292,547 1.224,548 1.258,549 4,550 0.05,551 1.111,552 0.625,553 0.32,554 0.389,555 0.163,556 0.125,557 0.099,558 0.06,559 2352,560 4171,561 1.74,562 62.2,563 11,564 15,569 2,572 1.558,573 1.606,574 3.323,575 -0.75,582 62.422,583 1.387,584 2.137,585 3.669,586 4.08,587 4.291,588 4.291,589 2.749,590 3.69,591 4.055,592 3.531,593 480.246,594 6.803,595 4898.02,600 247.133,601 1.45,602 3.976,603 0.25,604 0.008,605 0.058,606 0.042,607 0.023,608 0.03,609 0.012,610 0.013,611 0.011,612 0.007,613 0.454,614 0.83,615 0.88,616 2.699,617 75.086,618 0.044,619 -0.362,620 0.071,621 -0.129,622 -0.023,623 -0.116,624 0.153,625 0.167,626 0.058,627 0.019,628 0.205,629 0.035,630 0.056,631 -0.162,632 -0.102,633 -0.174,634 -0.03,635 -0.212,636 0.034,637 0.002,638 0.105,639 0.046,640 0.013,641 0.103,642 -0.14,643 0.15,644 -0.02,645 0.137,646 -0.156,647 0.112,648 -0.031,649 -0.08,650 0.097,651 0.021,652 0.091,653 -0.012,654 -0.408,655 -0.046,656 -0.485,657 -0.183,658 -0.402,659 -0.164,660 -0.146,661 -0.165,662 -0.25,663 -0.211,664 -0.109,665 -0.199,666 1.783,667 4.352,669 15.689,670 0.984,671 1.143,672 -0.995,673 0.99,674 0.596,675 2.833,676 2.996,677 2.773,678 2.708,679 2.639,680 2.708,681 2.398,682 2.303,683 2.197,684 1.946,685 6.232,686 0.528,687 262.49,688 2.833,689 4.263,690 4.934,691 5.714,692 6.402,693 7.189,694 7.883,695 8.676,696 9.374,697 10.171,698 2.2,712 1,741 45,743 1,745 16,747 44,748 13,762 1,763 1,770 5,772 1,773 12,777 1,782 1,786 1,793 28,794 2,796 4,797 1,802 1,803 1,807 1,809 2,862 1,864 4,868 17,876 8,878 1,879 1,883 1,893 4.4,896 1,898 1,901 10.583,902 9,903 4.042,904 3.167,907 0.099,908 1.02,909 0.834,910 9.895,911 5.136,912 2.89,913 3.091,914 2.89,915 2.833,916 2.773,917 2.944,918 2.485,919 2.398,920 2.303,921 1.946,922 0.857,923 15,924 6.336,926 2.315,927 0.026,929 7.588,931 12.603,933 9.294,936 2.088,937 35.5,938 0.005,941 329.591,942 92.061,945 36.145,947 32.22,948 59.841,949 365.736,951 34.014,952 20.27,954 25.145,955 11,956 5.556,957 361.81,959 329.591,960 59.841,961 36.145,962 32.22,964 306.049,965 59.687,968 29.096,969 30.746,971 32.22,972 329.591,973 36.145,974 92.061,977 329.591,978 58.046,979 34.014,981 36.145,982 329.591,983 36.145,984 92.061,986 0.542,987 0.232,988 0.097,989 0.048,990 4,991 3,992 0.25,993 11,996 2.996,997 86.542,1000 64.732,1001 1,1005 16.948,1006 9.925,1007 13.886,1009 36.145,1018 457.796,1019 17,1024 11.352,1028 -0.117,1031 44.261,1032 51.442,1034 0.253,1035 0.389,1036 0.668,1037 0.743,1038 0.781,1039 0.781,1040 4.06,1041 -0.257,1042 4.92,1043 0.219,1044 3.664,1045 3.761,1046 3.81,1047 5.565,1048 3.481,1049 5.159,1050 -0.613,1051 6.392,1052 -0.566,1053 3.434,1054 3.611,1055 3.665,1056 6.823,1057 3.115,1058 6.4,1059 -1,1060 7.997,1061 -1.097,1062 5.209,1063 5.407,1064 6.655,1065 9.478,1066 4.811,1067 7.677,1068 -1,1069 9.687,1070 -2.292,1071 5.771,1072 6.019,1073 7.162,1074 11.509,1075 5.225,1076 8.99,1077 -1.166,1078 11.431,1079 -3,1080 7.122,1081 7.38,1082 9.651,1083 13.872,1084 6.502,1085 10.325,1086 -1.301,1087 13.208,1088 -3,1089 8.015,1090 8.288,1091 10.478,1092 16.1,1093 7.263,1094 11.676,1095 -1.631,1096 15.009,1097 -3.156,1098 9.217,1099 9.493,1100 12.679,1101 18.409,1102 8.385,1103 3.099,1104 -1.85,1105 16.824,1106 -3.604,1107 10.247,1108 10.52,1109 13.711,1110 20.687,1111 9.298,1112 2.371,1113 9.951,1114 18.65,1115 -4.486,1116 11.398,1117 11.667,1118 15.725,1119 22.986,1120 10.361,1121 1.839,1122 6.086,1123 20.484,1124 3.101,1125 12.485,1126 12.743,1127 16.902,1128 25.278,1129 11.34,1130 1.445,1131 3.647,1132 22.322,1133 2.821,1134 13.62,1135 13.868,1136 18.786,1137 27.576,1138 12.381,1139 1.139,1140 2.837,1141 24.165,1142 1.848,1143 14.73,1144 14.965,1145 20.065,1146 29.872,1147 13.388,1148 0.761,1149 2.327,1150 26.01,1151 1.449,1152 15.86,1153 16.083,1154 21.858,1155 32.169,1156 14.421,1157 0.125,1158 1.368,1159 27.858,1160 1.17,1161 16.982,1162 17.191,1163 23.212,1164 34.466,1165 15.441,1166 2677,1167 3709,1168 9.416,1169 26.841,1170 21.621,1171 25.126,1172 21.717,1173 21.628,1174 21.556,1175 22.602,1176 13.753,1177 52.87,1178 19.699,1179 5.059,1180 6.515,1181 6.358,1182 5.125,1183 5.059,1184 5.072,1185 8.766,1186 15.185,1187 4.638,1188 11.403,1189 1.351,1190 1.57,1191 1.357,1192 1.352,1193 1.347,1194 1.413,1195 0.86,1196 3.304,1197 1.231,1198 3.852,1199 3.935,1200 3.928,1201 3.678,1202 7.432,1203 3.651,1204 3.763,1205 3.83,1206 3.684,1207 3.587,1208 4.501,1209 3.594,1210 3.545,1211 3.597,1212 3.542,1213 3.444,1214 4.272,1215 3.386,1216 3.394,1217 3.429,1218 3.234,1219 3.176,1220 4.206,1221 3.165,1222 3.152,1223 3.236,1224 3.032,1225 2.99,1226 3.973,1227 2.948,1228 2.969,1229 3.017,1230 2.76,1231 2.75,1232 3.594,1233 2.731,1234 2.874,1235 3.009,1236 2.499,1237 2.618,1238 3.467,1239 2.57,1240 2.874,1241 3.009,1242 2.499,1243 2.618,1244 3.467,1245 2.57,1246 0.256,1247 0.294,1248 0.4,1249 0.25,1250 0.194,1251 4.099,1252 0.194,1253 4.699,1254 0.296,1255 6.394,1256 0.622,1257 4.002,1258 0.175,1259 3.099,1260 3.101,1261 4.73,1262 9.951,1263 2.798,1264 1.78,1265 1.72,1266 2.032,1267 2.039,1268 1.38,1269 2.038,1270 1.766,1271 1.683,1272 2.01,1273 1.934,1274 1.268,1275 1.974,1276 1.546,1277 1.487,1278 1.824,1279 1.722,1280 1.123,1281 1.77,1282 1.306,1283 1.264,1284 1.595,1285 1.591,1286 0.79,1287 1.588,1288 1.177,1289 1.095,1290 1.517,1291 1.391,1292 0.77,1293 1.453,1294 0.934,1295 0.859,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.934,1301 0.804,1302 1.417,1303 1.239,1304 0.469,1305 1.308,1306 0.9,1307 0.804,1308 1.192,1309 1.175,1310 0.427,1311 1.18,1312 3.497,1314 4.691,1316 6.019,1318 7.405,1320 8.825,1322 8.484,1328 8.482,1330 5.154,1331 1.317,1335 0.828,1340 23.75,1341 62.422,1342 96.163,1343 165.12,1344 183.585,1345 193.094,1346 193.094,1347 65.197,1348 5.037,1349 26.3,1350 51.6,1352 10.798,1353 1,1354 1,1355 68.425,1356 62,1357 64,1358 0.525,1359 159.925,1360 279.23,1361 381.977,1362 720,1364 13.148,1365 0.773,1366 0.747,1367 13.502,1368 12.698,1369 7.955,1370 0.497,1371 0.483,1372 6.727,1373 7.127,1374 6.322,1375 5.474,1376 8.409,1377 7.736,1378 7.115,1379 0.374,1380 0.353,1381 7.784,1382 6.702,1383 3.674,1384 0.245,1385 0.226,1386 4.25,1387 3.386,1388 2.398,1389 0.171,1390 0.145,1391 2.877,1392 2.025,1393 1.46,1394 0.112,1395 0.097,1396 1.835,1397 1.261,1398 0.87,1399 54.681,1400 0.326,1401 18.315,1402 1.308,1403 70,1404 184.664,1405 102.146,1406 190.031,1407 240.06,1408 176,1409 69,1410 142.557,1411 91.736,1412 156.913,1413 220.8,1414 142,1415 4.398}
{0 CHEMBL1025,1 1.701,2 4.818,3 1.352,4 1.828,5 41.423,6 7.367,8 3.251,9 3.372,10 3.145,11 2.688,12 4.18,13 2.598,14 3.901,15 4.085,16 3.288,17 2.9,18 5.543,19 2.808,20 3.943,21 4.165,22 3.121,23 3.075,24 4.916,25 2.82,26 3.961,27 4.207,28 3.11,29 2.989,30 5.373,31 2.797,32 3.976,33 4.173,34 2.246,35 2.431,36 5.465,37 2.492,38 3.042,39 3.25,40 1.849,41 2.419,42 3.738,43 2.228,44 3.534,45 3.86,46 1.132,47 2.475,48 4.111,49 2.099,50 3.494,51 3.98,52 0.227,53 1.827,54 3.611,55 1.252,56 0.181,57 0.347,58 10.16,59 3.05,60 19.896,61 3.16,62 0.862,63 0.372,64 13.966,65 3.974,66 90.502,67 4.545,68 0.46,69 0.469,70 17.363,71 5.476,72 44.948,73 4.995,74 0.472,75 0.552,76 23.943,77 6.122,78 54.853,79 4.865,80 1.005,81 0.392,82 16.29,83 2.358,84 139.351,85 2.562,86 0.036,87 0.226,88 4.152,89 2.092,90 7.313,91 2.957,92 0.117,93 0.208,94 8.273,95 2.711,96 11.877,97 4.044,98 0.229,99 0.08,100 10.085,101 1.778,102 29.088,103 2.888,104 45,105 14,106 0.366,107 0.438,108 0.509,109 0.509,110 0.509,111 0.469,112 2.518,113 1.479,114 -2.35,115 -2.39,116 -2.34,121 24,122 4,129 2,179 3,180 4,187 2,206 8,239 4,281 108,282 6.138,283 6.138,284 6.138,285 6.138,286 6.138,287 5.955,288 6.47,289 3.654,290 6.317,291 4.948,292 4.948,293 4.948,294 4.948,295 4.948,296 4.602,297 3.488,298 1.731,299 5.206,300 2.943,301 2.612,302 2.281,303 2.281,304 2.281,305 2.467,306 3.049,312 1,313 90,314 3.742,325 0.926,326 20.514,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 26.167,338 53,339 4.471,340 3.333,341 6.759,342 4.21,343 3.226,344 3.8,346 11.128,347 3.171,348 3.115,349 2.489,350 4.732,351 3.044,352 2.115,353 2.115,355 5.138,356 1.952,357 2.967,358 2.156,359 4.371,360 2.86,361 1.91,362 1.966,364 4.475,365 1.802,366 0.871,367 -0.035,368 3,369 0.698,370 -0.254,371 -0.254,373 -0.729,374 -0.239,375 0.746,376 -0.243,377 2.534,378 0.457,379 -0.494,380 -0.528,382 -1.386,383 -0.463,384 0.289,385 -1,386 2,388 -1,389 -1,391 -2,392 -1,394 -1,395 1.336,397 -1,398 -1,400 -2,401 -1,403 -1,404 1.268,406 -1,407 -1.326,409 -3,410 -1,411 -0.599,412 -1.386,413 1,414 -0.727,415 -1.643,416 -1.861,418 -5.217,419 -1.51,420 -0.861,421 -1.594,422 1,423 -0.942,424 -1.861,425 -1.912,427 -6.409,428 -1.713,474 5.286,475 0.481,476 0.581,477 0.053,478 8,479 0.727,480 1.5,481 0.136,482 6.5,483 0.591,484 10.249,485 0.932,486 15.114,487 0.605,488 5.079,489 0.462,490 1.274,491 0.116,492 3.559,493 0.324,494 0.495,495 0.189,496 0.189,500 1,501 0.927,502 1.649,503 0.789,504 2.141,505 0.785,506 1.524,507 0.403,508 0.84,509 0.541,510 0.672,511 0.312,512 0.905,513 1.18,514 0.926,515 1.17,516 1.083,517 0.783,518 0.994,519 1.206,520 1.672,521 1.921,522 2.39,523 1.309,524 1.07,525 3.368,526 1.064,527 1.688,528 0.069,529 3.843,530 0.773,531 0.054,532 0.998,533 0.687,534 0.896,535 0.037,536 1.734,537 0.047,538 0.873,539 0.601,540 0.784,541 0.098,542 1.517,549 5,551 1.111,552 1.375,553 0.16,554 0.222,559 446,560 1579,561 1.571,562 56,564 2,569 12,572 1.428,573 1.389,574 2.329,575 -0.526,582 42.529,583 1.701,584 2.032,585 2.363,586 2.363,587 2.363,588 2.177,589 1.823,590 2.187,591 3.429,592 2.439,593 134.128,594 5.601,595 918.612,600 116.096,601 1.686,602 3.246,603 0.5,605 0.079,606 0.138,607 0.012,608 0.056,613 0.785,614 0.83,615 1,616 1.686,617 37.109,618 -0.236,619 -0.371,620 0.413,621 -0.476,622 -0.228,623 -0.159,624 0.709,625 0.098,626 0.3,627 0.098,628 0.585,629 0.049,630 -0.196,631 -0.088,632 -0.039,633 0.151,634 -0.138,635 0.008,636 -0.037,637 -0.425,638 -0.279,639 -0.458,640 0.055,641 0.003,642 -1.037,643 0.545,644 -0.804,645 0.305,646 -1.002,647 -0.191,648 0.074,649 -0.047,650 -0.255,651 -0.223,652 0.096,653 -0.479,654 0.143,655 -0.272,656 -0.096,657 -0.271,658 0.064,659 -0.514,660 0.278,661 0.14,662 0.627,663 0.315,664 0.248,665 0.701,666 5.11,667 4.703,669 5.223,670 1.022,671 1.161,672 1.123,673 1.261,674 0.603,675 2.398,676 2.708,677 2.398,678 2.639,679 1.609,680 1.609,685 3.325,686 0.547,687 184.17,688 2.398,689 3.892,690 4.575,691 5.46,692 6.159,693 7.055,694 7.76,695 8.66,696 9.366,697 10.268,741 25,743 1,745 10,747 24,748 6,763 4,770 2,773 6,777 1,782 1,788 1,791 1,793 14,794 4,796 5,797 1,809 3,816 1,818 1,864 4,866 1,868 11,878 2,880 2,892 1,893 12,896 1,897 2,901 7.917,902 5.51,903 2.417,904 1.573,905 1,907 0.139,908 1.033,909 0.842,910 4.235,911 4.344,912 2.485,913 2.89,914 2.565,915 2.89,916 1.609,917 1.609,922 1,923 10,924 4.422,925 -0.011,926 1.971,927 0.025,929 8.543,931 7.475,932 -0.005,933 5.381,934 0.015,935 0.001,936 3.043,937 33.472,938 0.008,941 185.736,942 35.301,945 34.106,946 11.736,947 20.941,948 35.301,949 198.902,950 11.736,951 35.301,954 55.048,955 11.736,957 164.795,959 164.795,960 35.301,961 45.842,962 20.941,964 23.542,965 161.516,966 25.579,968 35.301,970 20.941,972 176.531,973 34.106,974 35.301,975 20.941,976 20.941,977 164.795,979 35.301,981 45.842,982 164.795,983 45.842,984 56.242,986 0.584,987 0.228,988 0.137,989 0.026,990 5,991 4,992 0.167,993 4,996 2.042,997 49.643,1000 26.054,1005 11.091,1006 4.2,1007 6.487,1009 45.842,1018 266.88,1019 11,1024 10.724,1030 -4.305,1031 25.538,1032 29.013,1034 0.366,1035 0.438,1036 0.509,1037 0.509,1038 0.509,1039 0.469,1040 3.738,1041 -1,1042 4.727,1043 -2,1044 3.367,1045 3.555,1047 5.557,1048 3.281,1049 4.99,1050 -1.643,1051 6.323,1052 -3,1053 3.611,1054 4.007,1056 7.05,1057 3.544,1058 6.353,1059 -1.861,1060 8.039,1061 -5.217,1062 5.106,1063 5.617,1065 9.851,1066 4.97,1067 7.746,1069 9.824,1070 -6.409,1071 5.943,1072 6.698,1074 11.989,1075 5.839,1076 9.169,1078 11.65,1080 7.194,1081 8.089,1083 14.517,1084 7.045,1085 10.612,1087 13.503,1089 8.245,1090 9.356,1092 16.846,1093 8.111,1094 12.071,1096 15.374,1098 9.435,1099 10.702,1101 19.293,1102 9.273,1103 3.226,1105 17.258,1107 10.564,1108 12.019,1110 21.678,1111 10.4,1112 2.115,1113 11.128,1114 19.15,1116 11.738,1117 13.356,1119 24.1,1120 11.555,1121 1.91,1122 5.138,1123 21.048,1124 3.8,1125 12.894,1126 14.686,1128 26.502,1129 12.7,1130 -0.254,1131 4.475,1132 22.95,1133 2.115,1134 14.066,1135 16.022,1137 28.915,1138 13.854,1139 -0.494,1140 -0.729,1141 24.855,1142 1.966,1143 15.232,1144 17.355,1146 31.322,1147 15.005,1148 -1,1149 -1.386,1150 26.762,1151 -0.254,1152 16.403,1153 18.69,1155 33.733,1156 16.159,1157 -1,1158 -2,1159 28.67,1160 -0.528,1161 17.572,1162 20.025,1164 36.142,1165 17.312,1166 594,1167 1242,1168 4.97,1169 15.074,1170 14.507,1171 14.925,1172 15.325,1173 14.468,1174 14.503,1175 15.762,1177 41.481,1178 13.851,1179 5.332,1180 4.927,1181 5.759,1182 5.151,1183 5.087,1184 5.712,1186 17.537,1187 4.884,1188 8.185,1189 1.451,1190 1.493,1191 1.533,1192 1.447,1193 1.45,1194 1.576,1196 4.148,1197 1.385,1198 3.784,1199 3.8,1200 4.469,1201 3.845,1202 8.236,1203 3.591,1204 3.572,1205 3.64,1206 3.39,1207 3.4,1208 7.299,1209 3.386,1210 3.315,1211 3.35,1212 3.325,1213 3.304,1214 4.552,1215 3.125,1216 2.874,1217 3.009,1218 2.499,1219 2.618,1220 4.372,1221 2.57,1222 2.874,1223 3.009,1224 2.499,1225 2.618,1226 3.718,1227 2.57,1228 2.146,1229 2.243,1230 1.861,1231 1.71,1232 3.485,1233 1.713,1234 2.043,1235 2.156,1236 1.791,1237 1.635,1238 3.467,1239 1.61,1240 1.412,1241 1.453,1242 1.494,1243 0.432,1244 3.467,1245 0.672,1246 0.447,1247 0.333,1248 0.676,1249 0.421,1250 0.323,1251 4.471,1252 0.38,1253 3.333,1255 6.759,1256 1.113,1257 4.21,1258 0.317,1259 3.226,1260 3.8,1262 11.128,1263 3.171,1264 1.663,1265 1.629,1266 1.889,1267 1.852,1268 1.071,1269 1.894,1270 1.578,1271 1.51,1272 1.876,1273 1.789,1274 1.046,1275 1.821,1276 1.166,1277 1.153,1278 1.417,1279 1.239,1280 0.469,1281 1.39,1282 0.934,1283 0.804,1284 1.417,1285 1.239,1286 0.469,1287 1.308,1288 0.934,1289 0.804,1290 0.75,1291 1.239,1292 0.237,1293 1.308,1294 0.081,1296 0.629,1297 0.53,1299 0.558,1302 0.313,1303 0.409,1305 0.464,1312 3.045,1314 4.344,1316 5.771,1318 7.276,1320 8.825,1322 6.373,1324 12.703,1330 8.83,1332 -0.853,1340 13.666,1341 42.529,1342 50.793,1343 59.077,1344 59.077,1345 59.077,1346 54.433,1347 36.488,1348 4.205,1349 35.53,1350 45.34,1352 10.832,1353 1,1354 1,1355 31.635,1356 20,1357 17,1358 0.832,1359 95.44,1360 164.63,1361 224.635,1362 164,1363 4,1364 9.069,1365 0.824,1366 0.736,1367 8.435,1368 8.099,1369 4.833,1370 0.483,1371 0.493,1372 3.528,1373 3.745,1374 3.178,1375 2.75,1376 5.217,1377 4.931,1378 5.36,1379 0.383,1380 0.287,1381 5.153,1382 4.022,1383 1.922,1384 0.192,1385 0.202,1386 2.621,1387 2.02,1388 2.294,1389 0.176,1390 0.122,1391 2.559,1392 1.585,1393 0.333,1394 0.083,1395 0.075,1396 0.577,1397 0.298,1398 1.199,1399 39.454,1400 0.449,1401 11.114,1402 2.548,1403 48,1404 264.93,1405 96.242,1406 225.512,1407 282.87,1408 204,1409 48,1410 160.212,1411 105.879,1412 188.082,1413 278.44,1414 173,1415 4.886}
{0 CHEMBL103153,1 1.487,2 8.167,3 2.525,4 6.378,5 75.717,6 6.711,7 0.333,8 3.726,9 3.854,10 3.252,11 3.24,12 4.712,13 3.15,14 4.29,15 4.51,16 3.631,17 3.596,18 5.232,19 3.487,20 4.49,21 4.706,22 3.563,23 3.806,24 5.332,25 3.607,26 4.682,27 4.977,28 3.487,29 3.731,30 5.489,31 3.494,32 4.409,33 4.645,34 3.299,35 3.411,36 5.417,37 3.271,38 4.084,39 4.261,40 3.313,41 3.275,42 5.319,43 3.166,44 4.099,45 4.274,46 2.807,47 3.23,48 5.21,49 3.036,50 3.869,51 4.121,52 2.704,53 3.129,54 4.551,55 2.959,56 0.029,57 0.543,58 10.319,59 4.173,60 6.09,61 5.501,62 0.347,63 0.844,64 20.913,65 6.329,66 23.677,67 8.565,68 0.18,69 1.019,70 23.675,71 9.339,72 16.742,73 11.985,74 0.22,75 1.063,76 32.275,77 10.732,78 33.75,79 13.315,80 0.399,81 0.767,82 25.758,83 7.09,84 38.456,85 8.63,86 0.188,87 0.599,88 16.191,89 5.368,90 35.921,91 6.457,92 0.338,93 0.61,94 21.624,95 5.939,96 46.99,97 6.515,98 0.05,99 0.543,100 10.558,101 4.246,102 6.575,103 6.284,104 35,105 24,106 0.272,107 0.536,108 0.727,109 0.764,110 0.773,111 0.773,112 2.958,113 1.194,114 -0.47,115 -0.6,116 -0.75,121 35,122 1,123 1,126 3,127 2,144 4,145 1,146 1,161 1,176 6,179 1,180 2,187 8,194 1,200 8,206 4,214 5,219 6,221 1,227 1,229 1,232 4,253 2,266 3,279 2,281 380,282 11.439,283 11.439,284 11.439,285 11.439,286 11.439,287 10.533,288 11.05,289 6.842,290 11.905,291 8.826,292 8.826,293 8.826,294 8.826,295 8.826,296 7.419,297 9.599,298 3.163,299 9.572,300 3.835,301 2.395,302 1.351,303 1.151,304 1.101,305 1.101,306 3.584,310 1,311 1,312 1,313 286,314 3.873,318 68.52,325 1.389,326 13.578,327 1,328 1,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 38.5,338 147,339 4.214,340 4.791,341 6.394,342 4.002,343 3.099,344 3.813,345 4.73,346 9.951,347 2.798,348 4.099,349 3.602,350 6.153,351 3.811,352 2.867,353 3.101,354 1.2,355 9.086,356 2.714,357 3.599,358 3.483,359 5.038,360 3.175,361 2.276,362 2.788,363 0.946,364 6.059,365 1.981,366 2.917,367 2.421,368 4.279,369 2.523,370 1.545,371 2.088,373 3.97,374 1.513,375 2.847,376 1.871,377 3.625,378 2.394,379 1.437,380 1.968,382 3.03,383 1.355,384 2.2,385 1.593,386 3.465,387 2.021,388 1.086,389 1.163,391 2.374,392 0.998,393 1.727,394 1.468,395 2.909,396 1.515,397 0.526,398 0.61,400 0.878,401 0.518,402 1.144,403 0.724,404 2.664,405 0.835,406 -0.04,407 -0.043,409 -0.086,410 -0.034,411 0.925,412 0.445,413 2.241,414 0.632,415 -0.331,416 -0.392,418 -0.712,419 -0.307,420 0.592,421 0.282,422 2,423 0.19,424 -0.802,425 -1,427 -1.735,428 -0.787,429 0.468,430 -0.479,431 2,432 -0.02,433 -1,434 -1,436 -2.434,437 -0.9,439 -0.6,440 2,441 -0.1,442 -1,443 -1.038,445 -3,446 -0.9,448 -0.6,449 1.559,450 -0.1,451 -1,452 -1.365,454 -3,455 -0.955,456 -0.149,457 -0.716,458 1.318,459 -0.386,460 -1.289,461 -1.532,462 -0.4,463 -3.58,464 -1.176,465 -0.482,466 -1.093,467 1.032,468 -0.658,469 -1.65,470 -1.958,471 -0.4,472 -4.233,473 -1.469,474 8.9,475 0.494,476 0.579,477 0.032,478 18.75,479 1.042,480 8,481 0.444,482 10.75,483 0.597,484 15.484,485 0.86,486 21.4,487 0.535,488 12.483,489 0.694,490 3.784,491 0.21,492 4.636,493 0.258,494 0.262,495 0.045,496 0.169,501 0.786,502 1.544,503 0.871,504 1.195,505 0.635,506 1.191,507 1.003,508 0.732,509 0.826,510 0.758,511 0.486,512 0.756,513 0.655,514 1.179,515 1.05,516 1.183,517 0.616,518 1.264,519 0.791,520 0.957,521 1.05,522 1.077,523 0.819,524 0.871,525 2.166,526 0.894,527 1.397,528 1.076,529 1.812,530 0.853,531 2.271,532 1.114,533 1.061,534 1.013,535 2.603,536 1.048,537 3.072,538 1.203,539 2.523,540 1.636,541 4.234,542 1.322,543 0.271,544 1.255,545 0.694,546 0.985,547 0.153,548 1.173,549 5,550 0.037,551 1.778,552 1,553 0.782,554 0.569,555 0.182,556 0.168,557 0.206,558 0.134,559 2560,560 5550,561 1.834,562 55,563 5,564 17,572 1.583,573 1.674,574 3.009,575 -0.763,577 1,579 1,582 59.467,583 1.487,584 2.927,585 3.971,586 4.171,587 4.221,588 4.221,589 2.441,590 3.684,591 4.143,592 3.229,593 494.01,594 7.012,595 4929.51,596 1,597 1,599 1,600 212.877,601 1.676,602 4.051,603 0.278,604 0.006,605 0.074,606 0.048,607 0.041,608 0.033,609 0.011,610 0.017,611 0.019,612 0.012,613 0.539,614 0.83,615 1,616 2.256,617 78.111,618 0.027,619 -0.288,620 0.081,621 -0.084,622 -0.051,623 -0.068,624 0.148,625 0.414,626 0.211,627 0.244,628 0.197,629 0.232,630 0.035,631 -0.103,632 -0.075,633 -0.111,634 -0.053,635 -0.204,636 0.082,637 -0.037,638 0.108,640 0.091,641 0.108,642 -0.147,643 0.041,644 -0.108,645 -0.004,646 -0.105,647 0.069,648 -0.216,649 -0.113,650 0.014,651 -0.008,652 -0.022,653 -0.085,654 -0.692,655 -0.11,656 -0.791,657 -0.256,658 -0.742,659 -0.333,660 0.021,661 -0.23,662 -0.079,663 -0.153,664 0.023,665 -0.161,666 1.885,667 4.7,668 0.333,669 12.889,670 0.99,671 1.13,672 -0.758,673 0.574,674 0.639,675 2.944,676 3.219,677 3.219,678 3.332,679 3.401,680 3.296,681 3.045,682 3.045,683 2.996,684 2.833,685 5.297,686 0.579,687 268.44,688 2.944,689 4.443,690 5.198,691 6.043,692 6.819,693 7.663,694 8.447,695 9.291,696 10.079,697 10.921,698 2.5,712 1,715 4,720 2,722 6,741 40,743 7,744 1,745 18,747 40,748 14,749 6,750 2,751 4,756 1,757 1,762 1,763 1,770 1,772 7,773 7,777 1,782 1,786 1,789 1,790 1,793 22,794 2,796 4,797 1,802 1,803 1,807 1,808 1,809 2,829 1,859 1,862 1,864 4,868 18,876 3,878 1,879 1,883 1,893 5,896 1,898 1,901 10.75,902 8.333,903 4.069,904 2.563,907 1.237,908 1.221,909 0.874,910 5.863,911 6.824,912 3.135,913 3.597,914 3.887,915 4.302,916 4.699,917 4.558,918 4.495,919 4.555,920 4.418,921 4.4,922 1,923 21,924 6.663,926 2.572,927 0.026,929 7.685,931 12.898,933 9.758,936 2.185,937 39.333,938 0.002,941 258.964,942 123.664,945 36.145,947 32.22,948 91.445,949 295.109,951 34.014,952 9.233,953 37.905,954 25.145,955 15.736,956 5.556,957 291.184,959 258.964,960 91.445,961 36.145,962 32.22,964 258.964,965 36.145,968 18.058,969 73.387,971 32.22,972 258.964,973 36.145,974 123.664,977 258.964,978 51.745,979 71.919,981 36.145,982 258.964,983 36.145,984 123.664,986 0.572,987 0.282,988 0.139,989 0.071,990 9,991 5,992 0.175,993 7,995 1,996 2.974,997 110.105,999 6,1000 70.304,1001 1,1005 15.227,1006 6.931,1007 6.073,1009 36.145,1010 7.943,1015 2.182,1018 418.773,1019 22,1024 11.7,1028 -0.218,1031 39.611,1032 45.197,1034 0.279,1035 0.55,1036 0.746,1037 0.784,1038 0.793,1039 0.793,1040 4.35,1041 -0.04,1042 5.231,1043 0.878,1044 3.892,1045 4.277,1046 3.81,1047 5.994,1048 3.735,1049 5.546,1050 -0.331,1051 6.777,1052 -0.086,1053 3.761,1054 4.159,1055 3.665,1056 7.209,1057 3.488,1058 6.846,1059 -0.802,1060 8.435,1061 -0.712,1062 5.533,1063 6.307,1064 6.655,1065 9.996,1066 5.206,1067 8.177,1068 -1,1069 10.159,1070 -1.735,1071 6.133,1072 6.869,1073 7.162,1074 11.917,1075 5.684,1076 9.533,1077 -1,1078 11.921,1079 -2.434,1080 7.486,1081 8.623,1082 9.651,1083 14.342,1084 6.987,1085 10.905,1086 -1,1087 13.707,1088 -3,1089 8.379,1090 9.501,1091 10.478,1092 16.49,1093 7.764,1094 12.289,1095 -1.289,1096 15.508,1097 -3,1098 9.58,1099 11.083,1100 12.679,1101 18.812,1102 8.907,1103 3.099,1104 -1.65,1105 17.32,1106 -3.58,1107 10.595,1108 12.135,1109 13.711,1110 21.039,1111 9.813,1112 2.867,1113 9.951,1114 19.14,1115 -4.233,1116 11.738,1117 13.624,1118 15.725,1119 23.329,1120 10.888,1121 2.276,1122 9.086,1123 20.964,1124 3.813,1125 12.807,1126 14.781,1127 16.902,1128 25.586,1129 11.852,1130 1.545,1131 6.059,1132 22.793,1133 3.101,1134 13.929,1135 16.214,1136 18.786,1137 27.867,1138 12.896,1139 1.437,1140 3.97,1141 24.625,1142 2.788,1143 15.022,1144 17.438,1145 20.065,1146 30.137,1147 13.888,1148 1.086,1149 3.03,1150 26.459,1151 2.088,1152 16.137,1153 18.835,1154 21.858,1155 32.417,1156 14.918,1157 0.526,1158 2.374,1159 28.295,1160 1.968,1161 17.242,1162 20.101,1163 23.212,1164 34.693,1165 15.923,1166 2782,1167 4245,1168 10.92,1169 25.557,1170 26.095,1171 28.97,1172 26.391,1173 25.817,1174 25.672,1175 31.061,1176 13.753,1177 70.697,1178 23.753,1179 5.141,1180 6.791,1181 6.088,1182 5.15,1183 5.099,1184 6.813,1185 8.766,1186 16.125,1187 4.798,1188 11.459,1189 1.45,1190 1.609,1191 1.466,1192 1.434,1193 1.426,1194 1.726,1195 0.764,1196 3.928,1197 1.32,1198 3.931,1199 3.963,1200 4.047,1201 3.9,1202 7.432,1203 3.873,1204 3.835,1205 3.914,1206 3.704,1207 3.594,1208 4.723,1209 3.609,1210 3.428,1211 3.471,1212 3.565,1213 3.248,1214 4.493,1215 3.219,1216 3.383,1217 3.432,1218 3.179,1219 3.218,1220 4.268,1221 3.197,1222 3.067,1223 3.096,1224 3.037,1225 2.953,1226 4.021,1227 2.897,1228 2.874,1229 3.009,1230 2.663,1231 2.655,1232 3.649,1233 2.64,1234 2.874,1235 3.009,1236 2.557,1237 2.618,1238 3.467,1239 2.57,1240 2.8,1241 2.87,1242 2.499,1243 2.618,1244 3.467,1245 2.57,1246 0.234,1247 0.266,1248 0.355,1249 0.222,1250 0.172,1251 4.214,1252 0.212,1253 4.791,1254 0.263,1255 6.394,1256 0.553,1257 4.002,1258 0.155,1259 3.099,1260 3.813,1261 4.73,1262 9.951,1263 2.798,1264 1.917,1265 1.896,1266 2.029,1267 2.039,1268 1.268,1269 2.038,1270 1.767,1271 1.684,1272 2.01,1273 1.982,1274 1.212,1275 2.007,1276 1.423,1277 1.346,1278 1.734,1279 1.619,1280 0.842,1281 1.663,1282 1.3,1283 1.268,1284 1.593,1285 1.589,1286 0.783,1287 1.584,1288 1.01,1289 0.992,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.934,1295 0.804,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.934,1301 0.804,1302 1.148,1303 1.202,1304 0.249,1305 1.201,1306 0.818,1307 0.751,1308 1.076,1309 1.018,1310 0.232,1311 1.064,1312 3.611,1314 4.89,1316 6.337,1318 7.856,1320 9.411,1322 8.315,1328 2.209,1330 5.23,1331 1.177,1335 0.795,1340 23.17,1341 59.467,1342 117.064,1343 158.838,1344 166.838,1345 168.838,1346 168.838,1347 38.225,1348 5.587,1349 26.3,1350 51.6,1351 6,1352 11.497,1353 3,1354 2.322,1355 41.963,1356 57,1357 44,1358 0.366,1359 153.342,1360 265.35,1361 365.914,1362 1478,1364 13.596,1365 0.755,1366 0.693,1367 13.95,1368 12.472,1369 8.421,1370 0.468,1371 0.398,1372 6.309,1373 7.627,1374 5.921,1375 5.088,1376 8.829,1377 7.163,1378 8.007,1379 0.334,1380 0.269,1381 8.735,1382 6.45,1383 4.92,1384 0.205,1385 0.147,1386 5.643,1387 3.521,1388 3.748,1389 0.139,1390 0.084,1391 4.507,1392 2.267,1393 2.625,1394 0.091,1395 0.047,1396 3.26,1397 1.35,1398 0.578,1399 57.02,1400 0.303,1401 18.446,1402 0.987,1403 84,1404 232.664,1405 119.486,1406 241.289,1407 318.22,1408 224,1409 90,1410 206.242,1411 117.747,1412 227.222,1413 325.8,1414 209,1415 4.301}
{0 CHEMBL103873,1 1.437,2 8.733,3 1.791,4 3.209,5 64.772,6 6.011,8 3.673,9 3.82,10 3.092,11 3.104,12 4.552,13 2.989,14 4.283,15 4.533,16 3.391,17 3.442,18 5.113,19 3.29,20 4.489,21 4.751,22 3.183,23 3.617,24 5.202,25 3.373,26 4.659,27 4.993,28 3.129,29 3.509,30 5.357,31 3.23,32 4.27,33 4.539,34 3.03,35 3.187,36 5.138,37 2.994,38 3.909,39 4.108,40 3.119,41 3.14,42 4.988,43 2.959,44 4.004,45 4.201,46 2.673,47 3.056,48 5.113,49 2.851,50 3.82,51 4.071,52 2.305,53 2.893,54 4.58,55 2.701,56 0.039,57 0.501,58 10.984,59 3.965,60 5.237,61 5.414,62 0.36,63 0.729,64 21.916,65 5.857,66 22.486,67 8.237,68 0.204,69 0.85,70 22.983,71 8.088,72 14.902,73 10.873,74 0.277,75 0.782,76 27.487,77 8.014,78 31.273,79 10.626,80 0.396,81 0.552,82 21.362,83 5.201,84 28.551,85 6.814,86 0.134,87 0.501,88 16.191,89 4.99,90 20.949,91 5.945,92 0.287,93 0.478,94 19.274,95 4.742,96 37.213,97 5.672,98 0.141,99 0.412,100 10.384,101 3.404,102 13.885,103 5.081,104 45,105 17,106 0.272,107 0.42,108 0.711,109 0.757,110 0.757,111 0.757,112 2.788,113 1.443,114 0.32,115 0.15,116 -0.07,121 28.2,122 1,123 3,126 3,127 3,161 1,176 3,179 1,180 2,187 3,194 1,200 2,206 2,214 1,219 2,221 1,227 1,229 1,232 2,244 2,253 1,266 1,279 1,281 263,282 9.336,283 9.336,284 9.336,285 9.336,286 9.336,287 9.182,288 8.1,289 6.002,290 9.84,291 6.893,292 6.893,293 6.893,294 6.893,295 6.893,296 6.591,297 8.351,298 2.852,299 7.653,300 3.849,301 3.065,302 1.527,303 1.283,304 1.283,305 1.283,306 3.376,312 1,313 237,314 4.123,325 1.618,326 12.492,329 1,330 1,331 0.83,332 0.7,333 1,334 1,335 1,336 0.93,337 32.5,338 131,339 4.099,340 4.699,341 6.394,342 4.002,343 3.099,344 3.101,345 4.73,346 9.951,347 2.798,348 3.652,349 3.488,350 5.033,351 3.238,352 2.371,353 2.821,354 1.2,355 6.086,356 2.009,357 2.74,358 3.196,359 3.73,360 2.7,361 1.723,362 1.737,363 0.946,364 3.377,365 1.679,366 2.242,367 1.873,368 3.47,369 2.119,370 1.226,371 1.234,373 2.522,374 1.076,375 2.028,376 1.623,377 3.019,378 1.888,379 0.926,380 0.972,382 1.687,383 0.874,384 1.215,385 1.38,386 2.559,387 1.06,388 0.157,389 0.16,391 0.265,392 0.139,393 0.925,394 0.483,395 2,396 0.667,397 -0.269,398 -0.291,400 -0.593,401 -0.245,402 0.389,403 0.412,404 2,405 0.218,406 -0.76,407 -0.826,409 -1.344,410 -0.728,412 -0.478,413 2,414 -0.1,415 -1,416 -1,418 -2.818,419 -0.9,421 -0.6,422 1.474,423 -0.1,424 -1,425 -1,426 -0.4,427 -3,428 -0.9,429 -0.11,430 -0.6,431 1.2,432 -0.331,433 -1.263,434 -1.422,435 -0.4,436 -3,437 -1.176,438 -0.448,439 -0.733,440 0.566,441 -0.548,442 -1.456,443 -1.581,444 -0.4,445 -3.417,446 -1.231,447 -0.786,448 -1.468,449 0.494,450 -0.891,451 -1.807,452 -1.945,453 -1.641,454 -4.482,455 -1.671,456 -0.947,457 -1.654,458 0.063,459 -1.121,460 -1.947,461 -1.961,462 -4.036,463 -5.234,464 -1.724,474 7.4,475 0.493,476 0.459,477 0.031,478 10.25,479 0.683,480 1.5,481 0.1,482 8.75,483 0.583,484 15.671,485 1.045,486 19.9,487 0.51,488 5.593,489 0.373,490 1.61,491 0.107,492 5.345,493 0.356,494 0.315,495 0.054,496 0.068,501 0.806,502 1.871,503 0.973,504 1.418,505 0.629,506 1.447,507 0.996,508 0.956,509 1.065,510 1.032,511 0.456,512 0.96,513 0.625,514 1.28,515 1.036,516 1.25,517 0.591,518 1.338,519 0.946,520 0.816,521 0.854,522 0.858,523 1.034,524 0.76,525 2.229,526 0.708,527 1.324,528 0.87,529 1.902,530 0.753,531 1.596,532 1.357,533 1.507,534 1.466,535 1.945,536 1.204,537 2.869,538 1.291,539 2.557,540 1.8,541 4.03,542 1.352,543 1.437,544 1.135,545 0.974,546 0.949,547 1.416,548 1.283,549 4,550 0.05,551 1.111,552 0.625,553 0.32,554 0.389,555 0.163,556 0.094,557 0.074,558 0.06,559 1530,560 2937,561 1.708,562 61.5,563 7,564 15,569 2,572 1.52,573 1.565,574 3.101,575 -0.716,582 56.038,583 1.437,584 2.22,585 3.759,586 4.002,587 4.002,588 4.002,589 2.523,590 3.59,591 3.875,592 3.297,593 346.133,594 6.447,595 3120.2,600 206.131,601 1.533,602 3.78,603 0.286,604 0.012,605 0.065,606 0.048,607 0.027,608 0.035,609 0.014,610 0.012,611 0.012,612 0.012,613 0.523,614 0.83,615 1,616 2.466,617 62.178,618 0.036,619 -0.417,620 0.076,621 -0.145,622 -0.031,623 -0.133,624 0.147,625 0.227,626 0.085,627 0.058,628 0.209,629 0.086,630 0.049,631 -0.19,632 -0.125,633 -0.205,634 -0.043,635 -0.257,636 0.03,638 0.119,639 0.054,640 0.007,641 0.123,642 -0.196,643 0.185,644 -0.035,645 0.17,646 -0.201,647 0.142,648 -0.092,649 -0.139,650 0.006,651 -0.055,652 0.074,653 -0.047,654 -0.55,655 -0.114,656 -0.664,657 -0.29,658 -0.471,659 -0.288,660 -0.276,661 -0.112,662 -0.287,663 -0.136,664 -0.219,665 -0.281,666 1.792,667 4.226,669 11.84,670 0.987,671 1.144,672 -1.548,673 2.395,674 0.598,675 2.708,676 2.89,677 2.639,678 2.565,679 2.485,680 2.565,681 2.197,682 1.946,683 1.792,684 1.609,685 5.383,686 0.531,687 234.43,688 2.708,689 4.143,690 4.812,691 5.602,692 6.29,693 7.088,694 7.782,695 8.585,696 9.282,697 10.088,698 2.6,712 1,741 39,743 1,745 14,747 38,748 11,762 1,763 1,770 3,772 1,773 10,777 1,782 1,786 1,793 24,794 2,796 4,797 1,802 1,803 1,807 1,809 2,862 1,864 4,868 15,876 6,878 1,879 1,883 1,893 5.1,896 1,898 1,901 9.583,902 8,903 3.542,904 2.667,907 0.109,908 1.023,909 0.826,910 8.113,911 4.905,912 2.773,913 2.996,914 2.773,915 2.708,916 2.639,917 2.833,918 2.303,919 1.946,920 1.792,921 1.609,922 0.833,923 13,924 5.577,925 -0.001,926 2.026,927 0.026,929 7.667,931 10.97,933 7.961,934 0.001,936 2.167,937 32.5,938 0.007,941 282.506,942 86.992,945 36.145,947 32.22,948 54.772,949 318.651,951 34.014,952 15.201,954 25.145,955 11,956 5.556,957 314.726,959 282.506,960 54.772,961 36.145,962 32.22,964 258.964,965 59.687,968 24.027,969 30.746,971 32.22,972 282.506,973 36.145,974 86.992,977 282.506,978 52.977,979 34.014,981 36.145,982 282.506,983 36.145,984 86.992,986 0.548,987 0.23,988 0.094,989 0.047,990 4,991 3,992 0.237,993 9,996 2.722,997 72.955,1000 53.848,1001 1,1005 14.948,1006 8.141,1007 11.877,1009 36.145,1018 405.643,1019 15,1024 11.226,1028 -0.125,1031 38.494,1032 44.612,1034 0.272,1035 0.42,1036 0.711,1037 0.757,1038 0.757,1039 0.757,1040 3.951,1041 -0.76,1042 4.828,1043 -0.593,1044 3.555,1045 3.664,1046 3.81,1047 5.501,1048 3.35,1049 5.075,1050 -1,1051 6.323,1052 -1.344,1053 3.434,1054 3.611,1055 3.665,1056 6.823,1057 3.115,1058 6.335,1059 -1,1060 7.949,1061 -2.818,1062 5.142,1063 5.352,1064 6.655,1065 9.463,1066 4.709,1067 7.629,1068 -1.263,1069 9.655,1070 -3,1071 5.771,1072 6.019,1073 7.162,1074 11.509,1075 5.225,1076 8.955,1077 -1.456,1078 11.41,1079 -3,1080 7.089,1081 7.354,1082 9.651,1083 13.87,1084 6.44,1085 10.299,1086 -1.807,1087 13.196,1088 -3.417,1089 8.015,1090 8.288,1091 10.478,1092 16.1,1093 7.263,1094 11.657,1095 -1.947,1096 15.001,1097 -4.482,1098 9.203,1099 9.483,1100 12.679,1101 18.409,1102 8.352,1103 3.099,1105 16.82,1106 -5.234,1107 10.247,1108 10.52,1109 13.711,1110 20.687,1111 9.298,1112 2.371,1113 9.951,1114 18.647,1116 11.393,1117 11.663,1118 15.725,1119 22.986,1120 10.345,1121 1.723,1122 6.086,1123 20.482,1124 3.101,1125 12.485,1126 12.743,1127 16.902,1128 25.278,1129 11.34,1130 1.226,1131 3.377,1132 22.321,1133 2.821,1134 13.617,1135 13.866,1136 18.786,1137 27.576,1138 12.373,1139 0.926,1140 2.522,1141 24.164,1142 1.737,1143 14.73,1144 14.965,1145 20.065,1146 29.872,1147 13.388,1148 0.157,1149 1.687,1150 26.01,1151 1.234,1152 15.859,1153 16.083,1154 21.858,1155 32.169,1156 14.418,1157 -0.269,1158 0.265,1159 27.857,1160 0.972,1161 16.982,1162 17.191,1163 23.212,1164 34.466,1165 15.441,1166 1787,1167 2599,1168 8.03,1169 23.319,1170 19.096,1171 22.557,1172 19.265,1173 19.042,1174 19.006,1175 20.05,1176 13.753,1177 47.775,1178 17.15,1179 5.046,1180 6.353,1181 6.331,1182 5.122,1183 5.045,1184 5.062,1185 8.766,1186 15.185,1187 4.523,1188 10.246,1189 1.364,1190 1.611,1191 1.376,1192 1.36,1193 1.358,1194 1.432,1195 0.982,1196 3.413,1197 1.225,1198 3.849,1199 3.933,1200 3.927,1201 3.648,1202 7.432,1203 3.629,1204 3.716,1205 3.781,1206 3.684,1207 3.576,1208 4.501,1209 3.563,1210 3.463,1211 3.482,1212 3.445,1213 3.322,1214 4.272,1215 3.267,1216 3.272,1217 3.352,1218 3.106,1219 3.051,1220 4.174,1221 3.045,1222 3.014,1223 3.056,1224 2.864,1225 2.832,1226 3.804,1227 2.795,1228 2.874,1229 3.009,1230 2.502,1231 2.618,1232 3.467,1233 2.57,1234 2.874,1235 3.009,1236 2.499,1237 2.618,1238 3.467,1239 2.57,1240 2.695,1241 2.799,1242 2.499,1243 2.426,1244 3.287,1245 2.406,1246 0.293,1247 0.336,1248 0.457,1249 0.286,1250 0.221,1251 4.099,1252 0.222,1253 4.699,1254 0.338,1255 6.394,1256 0.711,1257 4.002,1258 0.2,1259 3.099,1260 3.101,1261 4.73,1262 9.951,1263 2.798,1264 1.769,1265 1.69,1266 2.01,1267 2.039,1268 1.316,1269 2.038,1270 1.728,1271 1.664,1272 1.988,1273 1.889,1274 1.268,1275 1.932,1276 1.391,1277 1.35,1278 1.663,1279 1.616,1280 0.919,1281 1.636,1282 1.262,1283 1.188,1284 1.592,1285 1.521,1286 0.782,1287 1.556,1288 0.948,1289 0.911,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.934,1295 0.804,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.934,1301 0.804,1302 1.23,1303 1.198,1304 0.459,1305 1.22,1306 0.686,1307 0.597,1308 0.956,1309 1.019,1310 0.089,1311 1.039,1312 3.367,1314 4.575,1316 5.916,1318 7.317,1320 8.748,1322 8.414,1328 5.753,1330 5.107,1331 1.299,1335 0.827,1340 20.696,1341 56.038,1342 86.582,1343 146.582,1344 156.092,1345 156.092,1346 156.092,1347 50.375,1348 4.796,1349 26.3,1350 51.6,1352 10.709,1353 1,1354 1,1355 55,1356 47,1357 48,1358 0.568,1359 140.74,1360 244.63,1361 335.166,1362 484,1364 11.734,1365 0.782,1366 0.752,1367 12.088,1368 11.284,1369 6.955,1370 0.497,1371 0.481,1372 5.727,1373 6.127,1374 5.341,1375 4.641,1376 7.409,1377 6.736,1378 6.407,1379 0.377,1380 0.353,1381 7.077,1382 5.995,1383 3.174,1384 0.244,1385 0.222,1386 3.75,1387 2.886,1388 2.045,1389 0.17,1390 0.139,1391 2.524,1392 1.672,1393 1.21,1394 0.11,1395 0.095,1396 1.611,1397 1.049,1398 0.923,1399 48.681,1400 0.353,1401 16.119,1402 1.452,1403 62,1404 176.664,1405 94.146,1406 181.708,1407 228.54,1408 168,1409 61,1410 134.557,1411 83.736,1412 148.59,1413 209.28,1414 134,1415 5.611}
{0 CHEMBL103890,1 1.437,2 7.333,3 1.461,4 2.136,5 64.626,6 6.011,8 3.673,9 3.82,10 3.092,11 3.104,12 4.58,13 2.989,14 4.283,15 4.534,16 3.563,17 3.503,18 5.132,19 3.359,20 4.502,21 4.716,22 3.322,23 3.756,24 5.284,25 3.504,26 4.783,27 5.116,28 3.222,29 3.61,30 5.545,31 3.345,32 4.453,33 4.731,34 2.97,35 3.147,36 5.447,37 3.015,38 3.794,39 3.944,40 3.042,41 3.113,42 4.935,43 2.954,44 4.11,45 4.36,46 2.583,47 3.163,48 4.989,49 2.885,50 3.963,51 4.287,52 2.587,53 3.047,54 4.508,55 2.866,56 0.039,57 0.501,58 10.984,59 3.965,60 6.601,61 5.414,62 0.359,63 0.762,64 22.215,65 6.199,66 23.939,67 8.436,68 0.207,69 0.965,70 27.654,71 9.563,72 17.61,73 12.011,74 0.256,75 0.876,76 30.419,77 8.881,78 37.874,79 12.051,80 0.585,81 0.539,82 23.016,83 4.712,84 55.333,85 6.784,86 0.127,87 0.483,88 13.106,89 4.467,90 22.278,91 5.602,92 0.226,93 0.551,94 19.971,95 5.426,96 30.43,97 6.749,98 0.12,99 0.5,100 11.523,101 3.774,102 8.165,103 5.903,104 65,105 20,106 0.272,107 0.42,108 0.661,109 0.701,110 0.701,111 0.701,112 2.789,113 1.358,114 0.32,115 0.15,116 -0.07,121 28.2,122 3,123 1,126 3,127 2,132 1,161 1,176 1,179 1,180 2,187 6,194 1,200 3,206 6,219 2,221 1,229 1,253 3,266 1,281 234,282 8.663,283 8.663,284 8.663,285 8.663,286 8.663,287 8.508,288 9.264,289 4.907,290 9.149,291 6.804,292 6.804,293 6.804,294 6.804,295 6.804,296 6.518,297 10.046,298 2.244,299 7.591,300 3.849,301 3.065,302 1.79,303 1.578,304 1.578,305 1.578,306 3.362,312 1,313 197,314 4.472,325 1.244,326 13.053,329 1,330 1,331 1,332 0.7,333 1,334 1,335 1,336 0.96,337 32.5,338 110,339 4.222,340 4.95,341 6.722,342 4.115,343 3.201,344 3.261,345 4.73,346 10.92,347 2.906,348 4.098,349 3.854,350 6.394,351 4.001,352 3.098,353 3.098,354 1.2,355 9.951,356 2.798,357 3.505,358 3.485,359 4.958,360 3.109,361 2.209,362 2.63,363 0.946,364 5.813,365 1.932,366 2.2,367 1.93,368 3.571,369 2.041,370 1.123,371 1.166,373 2.443,374 1.013,375 1.461,376 1.698,377 3.26,378 1.425,379 0.442,380 0.445,382 0.606,383 0.431,384 0.928,385 0.808,386 2.761,387 0.725,388 -0.139,389 -0.14,391 -0.354,392 -0.118,393 0.814,394 0.434,395 2.39,396 0.426,397 -0.527,398 -0.638,400 -1.333,401 -0.481,403 0.1,404 2,406 -1,407 -1,409 -3,410 -0.9,412 -0.484,413 2,414 -0.1,415 -1,416 -1,418 -3,419 -0.9,421 -0.6,422 2,423 -0.1,424 -1,425 -1,426 -0.4,427 -3,428 -1,429 -0.136,430 -0.6,431 1.588,432 -0.358,433 -1.275,434 -1.44,435 -0.4,436 -3.504,437 -1.176,438 -0.459,439 -1,440 1.201,441 -0.478,442 -1.461,443 -1.495,444 -0.4,445 -4.221,446 -1.31,447 -0.696,448 -1.468,449 0.63,450 -0.868,451 -1.732,452 -1.928,453 -1.641,454 -5.16,455 -1.519,456 -0.938,457 -1.488,458 0.525,459 -1.139,460 -1.938,461 -1.959,462 -4.036,463 -6.161,464 -1.676,474 7.4,475 0.493,476 0.752,477 0.05,478 10.25,479 0.683,480 1.5,481 0.1,482 8.75,483 0.583,484 17.461,485 1.164,486 19.9,487 0.51,488 5.835,489 0.389,490 1.652,491 0.11,492 5.009,493 0.334,494 0.45,495 0.122,496 0.068,501 0.806,502 1.871,503 0.973,504 1.418,505 0.69,506 1.447,507 0.964,508 0.742,509 0.843,510 0.774,511 0.43,512 0.743,513 0.705,514 1.624,515 1.712,516 1.825,517 0.652,518 1.663,519 0.773,520 0.959,521 0.815,522 0.974,523 0.827,524 0.839,525 3.159,526 0.355,527 1.084,528 0.402,529 2.953,530 0.514,531 1.893,532 1.465,533 1.314,534 1.329,535 2.302,536 1.466,537 1.622,538 1.419,539 2.126,540 1.734,541 2.584,542 1.351,543 0.498,544 0.645,545 0.554,546 0.52,547 0.053,548 0.721,549 6.5,551 1.778,552 1.125,553 0.48,554 0.444,555 0.122,556 0.281,557 0.074,559 1322,560 2589,561 1.631,562 61.5,563 3,564 13,569 8,572 1.525,573 1.452,574 2.84,575 -0.716,582 56.038,583 1.437,584 2.22,585 3.495,586 3.707,587 3.707,588 3.707,589 2.257,590 3.457,591 3.882,592 3.044,593 319.615,594 6.475,595 2797.33,600 206.131,601 1.689,602 3.709,603 0.464,605 0.089,606 0.075,607 0.034,608 0.04,609 0.011,610 0.04,611 0.007,613 0.762,614 0.83,615 1,616 2.063,617 60.535,618 0.036,619 -0.417,620 0.076,621 -0.145,622 -0.078,623 -0.133,624 0.18,625 0.447,626 0.313,627 0.323,628 0.24,629 0.309,630 -0.019,631 -0.327,632 -0.375,633 -0.412,634 -0.103,635 -0.437,636 0.108,637 -0.137,638 0.108,639 -0.079,640 0.11,641 0.055,642 -0.404,643 0.341,644 -0.049,645 0.319,646 -0.345,647 0.223,648 -0.253,649 -0.17,650 -0.1,651 -0.056,652 -0.065,653 -0.25,654 -0.296,655 -0.29,656 -0.504,657 -0.32,658 -0.362,659 -0.286,660 -0.05,661 0.358,662 0.068,663 0.22,664 0.118,665 0.219,666 1.824,667 4.437,669 9.493,670 0.987,671 1.144,672 -1.548,673 2.395,674 0.598,675 2.708,676 3.045,677 2.773,678 2.708,679 2.485,680 2.485,681 2.079,682 2.398,683 1.386,685 4.731,686 0.531,687 234.43,688 2.708,689 4.234,690 4.934,691 5.802,692 6.521,693 7.387,694 8.111,695 8.977,696 9.703,697 10.568,698 2.6,712 1,741 39,743 1,745 14,747 38,748 11,762 1,763 3,770 1,772 1,773 10,774 1,777 1,782 1,786 1,793 24,794 2,796 4,797 1,802 1,803 1,807 1,809 2,862 1,864 6,868 15,876 3,878 1,879 1,882 1,883 1,893 5.1,896 1,898 1,901 10.333,902 8.75,903 3.292,904 2.5,907 0.109,908 1.023,909 0.803,910 5.856,911 4.905,912 2.773,913 3.135,914 2.89,915 2.944,916 2.639,917 2.708,918 2.079,919 2.398,920 1.386,922 0.8,923 15,924 5.57,925 -0.001,926 2.068,927 0.026,929 7.717,931 10.829,933 8.014,934 0.001,936 2.217,937 33.25,938 0.006,941 282.506,942 98.673,945 36.145,947 32.22,948 66.454,949 318.651,951 51.665,952 9.233,954 25.145,955 11,956 5.556,957 314.726,959 282.506,960 66.454,961 36.145,962 32.22,964 188.338,965 130.314,968 35.708,969 30.746,971 32.22,972 282.506,973 36.145,974 98.673,977 282.506,978 47.009,979 51.665,981 36.145,982 282.506,983 36.145,984 98.673,986 0.595,987 0.252,988 0.092,989 0.038,990 7,991 5,992 0.184,993 7,996 2.517,997 78.522,1000 51.848,1001 1,1005 14.948,1006 5.877,1007 8.911,1009 36.145,1018 417.325,1019 15,1024 11.437,1028 -0.157,1031 38.494,1032 44.612,1034 0.272,1035 0.42,1036 0.661,1037 0.701,1038 0.701,1039 0.701,1040 4.06,1041 -1,1042 5.106,1043 -1.333,1044 3.714,1045 3.807,1046 3.81,1047 5.948,1048 3.506,1049 5.308,1050 -1,1051 6.725,1052 -3,1053 4.007,1054 4.111,1055 3.665,1056 7.564,1057 3.717,1058 6.662,1059 -1,1060 8.464,1061 -3,1062 5.549,1063 5.694,1064 6.655,1065 10.242,1066 5.13,1067 8.035,1068 -1.275,1069 10.265,1070 -3,1071 6.431,1072 6.567,1073 7.162,1074 12.407,1075 5.936,1076 9.424,1077 -1.461,1078 12.098,1079 -3.504,1080 7.686,1081 7.845,1082 9.651,1083 14.841,1084 7.074,1085 10.822,1086 -1.732,1087 13.95,1088 -4.221,1089 8.744,1090 8.895,1091 10.478,1092 17.145,1093 8.049,1094 12.225,1095 -1.938,1096 15.813,1097 -5.16,1098 9.923,1099 10.087,1100 12.679,1101 19.527,1102 9.121,1103 3.201,1105 17.683,1106 -6.161,1107 11.04,1108 11.201,1109 13.711,1110 21.873,1111 10.147,1112 3.098,1113 10.92,1114 19.558,1116 12.198,1117 12.368,1118 15.725,1119 24.243,1120 11.204,1121 2.209,1122 9.951,1123 21.437,1124 3.261,1125 13.335,1126 13.507,1127 16.902,1128 26.603,1129 12.247,1130 1.123,1131 5.813,1132 23.319,1133 3.098,1134 14.487,1135 14.668,1136 18.786,1137 28.972,1138 13.299,1139 0.442,1140 2.443,1141 25.202,1142 2.63,1143 15.633,1144 15.82,1145 20.065,1146 31.339,1147 14.349,1148 -0.139,1149 0.606,1150 27.088,1151 1.166,1152 16.784,1153 16.98,1154 21.858,1155 33.71,1156 15.401,1157 -0.527,1158 -0.354,1159 28.974,1160 0.445,1161 17.933,1162 18.139,1163 23.212,1164 36.081,1165 16.453,1166 1587,1167 2337,1168 7.337,1169 23.319,1170 20.258,1171 23.535,1172 21.239,1173 20.24,1174 20.147,1175 21.2,1176 13.753,1177 59.468,1178 18.16,1179 5.16,1180 6.437,1181 6.196,1182 5.253,1183 5.14,1184 5.221,1185 8.766,1186 17.082,1187 4.582,1188 11.68,1189 1.447,1190 1.681,1191 1.517,1192 1.446,1193 1.439,1194 1.514,1195 0.982,1196 4.248,1197 1.297,1198 3.853,1199 3.934,1200 3.984,1201 3.714,1202 7.432,1203 3.666,1204 3.746,1205 3.797,1206 3.69,1207 3.584,1208 4.504,1209 3.589,1210 3.399,1211 3.423,1212 3.338,1213 3.148,1214 4.301,1215 3.152,1216 3.195,1217 3.299,1218 2.995,1219 3.001,1220 4.241,1221 2.964,1222 3.005,1223 3.029,1224 2.851,1225 2.813,1226 3.802,1227 2.781,1228 2.874,1229 3.009,1230 2.499,1231 2.618,1232 3.467,1233 2.57,1234 2.874,1235 3.009,1236 2.499,1237 2.618,1238 3.467,1239 2.57,1240 2.874,1241 3.009,1242 2.499,1243 2.618,1244 3.467,1245 2.57,1246 0.302,1247 0.354,1248 0.48,1249 0.294,1250 0.229,1251 4.222,1252 0.233,1253 4.95,1254 0.338,1255 6.722,1256 0.78,1257 4.115,1258 0.208,1259 3.201,1260 3.261,1261 4.73,1262 10.92,1263 2.906,1264 1.773,1265 1.715,1266 2.01,1267 2.039,1268 1.269,1269 2.038,1270 1.746,1271 1.676,1272 1.965,1273 1.882,1274 1.255,1275 1.928,1276 1.297,1277 1.25,1278 1.634,1279 1.589,1280 0.784,1281 1.586,1282 1.235,1283 1.137,1284 1.592,1285 1.484,1286 0.74,1287 1.54,1288 0.934,1289 0.882,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.934,1295 0.804,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.934,1301 0.804,1302 1.417,1303 1.239,1304 0.469,1305 1.308,1306 0.888,1307 0.804,1308 0.979,1309 1.172,1310 0.133,1311 1.143,1312 3.367,1314 4.691,1316 6.146,1318 7.65,1320 9.178,1322 12.425,1328 2.302,1330 5.164,1331 1.284,1334 -0.02,1335 0.815,1340 20.696,1341 56.038,1342 86.582,1343 136.317,1344 144.582,1345 144.582,1346 144.582,1347 57.036,1348 4.796,1349 26.3,1350 51.6,1352 11.147,1353 1,1354 1,1355 54.758,1356 42,1357 32,1358 0.66,1359 140.74,1360 244.63,1361 335.166,1362 432,1364 12.113,1365 0.808,1366 0.778,1367 12.466,1368 11.663,1369 6.662,1370 0.476,1371 0.453,1372 5.482,1373 5.823,1374 4.991,1375 4.363,1376 7.043,1377 6.336,1378 7.28,1379 0.364,1380 0.363,1381 8.209,1382 7.267,1383 3.482,1384 0.232,1385 0.227,1386 4.159,1387 3.409,1388 2.171,1389 0.155,1390 0.108,1391 2.838,1392 1.506,1393 1.075,1394 0.098,1395 0.065,1396 1.409,1397 0.715,1398 1.036,1399 46.191,1400 0.369,1401 15.587,1402 1.781,1403 68,1404 182.664,1405 106.827,1406 189.88,1407 241.74,1408 174,1409 69,1410 147.242,1411 95.077,1412 167.468,1413 234.7,1414 150,1415 4.398}
{0 CHEMBL103959,1 1.487,2 9.389,3 2.525,4 6.378,5 75.717,6 6.711,7 0.333,8 3.726,9 3.854,10 3.252,11 3.24,12 4.711,13 3.15,14 4.29,15 4.51,16 3.631,17 3.596,18 5.234,19 3.487,20 4.49,21 4.705,22 3.493,23 3.789,24 5.34,25 3.588,26 4.678,27 4.985,28 3.359,29 3.661,30 5.489,31 3.426,32 4.366,33 4.628,34 3.226,35 3.307,36 5.346,37 3.166,38 3.898,39 4.06,40 3.301,41 3.255,42 5.057,43 3.098,44 3.973,45 4.131,46 2.885,47 3.225,48 5.068,49 3.013,50 3.852,51 4.074,52 2.796,53 3.049,54 4.813,55 2.94,56 0.029,57 0.543,58 10.319,59 4.173,60 5.979,61 5.501,62 0.347,63 0.844,64 20.913,65 6.329,66 23.432,67 8.565,68 0.181,69 1.012,70 23.73,71 9.262,72 17.292,73 11.954,74 0.217,75 1.018,76 30.014,77 10.036,78 37.43,79 12.963,80 0.417,81 0.698,82 22.811,83 6.231,84 41.914,85 7.912,86 0.119,87 0.561,88 15.688,89 5.423,90 21.258,91 6.08,92 0.224,93 0.597,94 21.747,95 6.182,96 32.066,97 6.452,98 0.121,99 0.497,100 10.813,101 3.782,102 17.079,103 5.421,104 35,105 24,106 0.272,107 0.536,108 0.718,109 0.737,110 0.737,111 0.737,112 2.957,113 1.193,114 -0.47,115 -0.6,116 -0.75,121 35,122 1,123 1,126 3,127 2,144 4,145 1,146 1,161 1,176 6,179 1,180 2,187 9,194 1,200 8,206 4,214 3,219 4,221 1,227 1,229 1,232 2,239 1,244 2,253 2,256 2,266 2,279 1,281 388,282 11.386,283 11.386,284 11.386,285 11.386,286 11.386,287 10.508,288 12.32,289 6.765,290 11.864,291 8.821,292 8.821,293 8.821,294 8.821,295 8.821,296 7.435,297 10.5,298 3.159,299 9.584,300 3.835,301 2.395,302 1.401,303 1.301,304 1.301,305 1.301,306 3.584,310 1,311 1,312 1,313 328,314 3.873,318 68.52,325 1.654,326 13.388,327 1,328 1,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 38.5,338 169,339 4.101,340 4.782,341 6.394,342 4.002,343 3.099,344 3.647,345 4.73,346 9.951,347 2.798,348 4.059,349 3.533,350 5.552,351 3.637,352 2.695,353 3.101,354 1.2,355 7.566,356 2.572,357 3.682,358 3.478,359 5.225,360 3.294,361 2.374,362 2.933,363 0.946,364 6.601,365 2.113,366 3.322,367 2.655,368 4.758,369 2.913,370 1.972,371 2.534,373 5.328,374 1.819,375 2.5,376 1.894,377 3.485,378 2.04,379 1.119,380 1.5,382 2.434,383 1.013,384 2.204,385 1.623,386 3.414,387 2,388 1,389 1.171,391 2.275,392 1,393 1.735,394 1,395 2.965,396 1.556,397 0.575,398 0.64,400 0.95,401 0.559,402 1.141,403 0.979,404 2.655,405 0.836,406 -0.04,407 -0.043,409 -0.086,410 -0.034,411 0.925,412 0.445,413 2.233,414 0.635,415 -0.328,416 -0.389,418 -0.702,419 -0.305,420 0.536,421 0.276,422 2,423 0.123,424 -0.853,425 -1,427 -1.908,428 -0.811,429 0.5,430 -0.479,431 2,433 -1,434 -1,436 -3,437 -0.9,439 -0.6,440 2,441 -0.1,442 -1,443 -1.079,445 -3,446 -0.9,448 -0.6,449 1.556,450 -0.1,451 -1,452 -1.47,454 -3,455 -1,456 -0.139,457 -0.768,458 1.266,459 -0.369,460 -1.281,461 -1.5,462 -0.4,463 -3.456,464 -1.176,465 -0.48,466 -1,467 0.94,468 -0.63,469 -1.586,470 -1.812,471 -0.4,472 -4.092,473 -1.367,474 8.9,475 0.494,476 0.596,477 0.033,478 18.75,479 1.042,480 8,481 0.444,482 10.75,483 0.597,484 15.101,485 0.839,486 21.4,487 0.535,488 12.446,489 0.691,490 3.768,491 0.209,492 4.636,493 0.258,494 0.262,495 0.045,496 0.169,501 0.786,502 1.544,503 0.871,504 1.195,505 0.638,506 1.191,507 1.003,508 0.732,509 0.826,510 0.758,511 0.48,512 0.756,513 0.665,514 1.237,515 1.125,516 1.26,517 0.625,518 1.321,519 0.771,520 0.923,521 0.864,522 0.962,523 0.81,524 0.848,525 2.256,526 0.622,527 1.011,528 0.665,529 1.903,530 0.648,531 1.682,532 1.246,533 1.457,534 1.347,535 2.026,536 1.135,537 2.302,538 1.6,539 3.025,540 2.277,541 3.518,542 1.522,543 1.37,544 1.063,545 0.793,546 0.841,547 1.249,548 1.031,549 5.5,550 0.087,551 1.556,552 0.875,553 0.702,554 0.514,555 0.223,556 0.231,557 0.156,558 0.074,559 2720,560 5822,561 1.834,562 55,563 5,564 17,572 1.579,573 1.674,574 3.188,575 -0.763,577 1,579 1,582 59.467,583 1.487,584 2.927,585 3.921,586 4.021,587 4.021,588 4.021,589 2.684,590 3.266,591 4.14,592 3.387,593 518.183,594 6.988,595 5191.96,596 1,597 1,599 1,600 212.877,601 1.676,602 4.051,603 0.306,604 0.017,605 0.065,606 0.044,607 0.041,608 0.034,609 0.015,610 0.021,611 0.013,612 0.008,613 0.564,614 0.83,615 1,616 2.256,617 79.073,618 0.027,619 -0.288,620 0.081,621 -0.084,622 -0.054,623 -0.068,624 0.148,625 0.414,626 0.211,627 0.244,628 0.203,629 0.232,630 0.024,631 -0.162,632 -0.152,633 -0.19,634 -0.058,635 -0.264,636 0.095,637 -0.053,638 0.132,639 -0.002,640 0.108,641 0.1,642 -0.171,643 0.233,644 0.074,645 0.243,646 -0.131,647 0.22,648 -0.127,649 -0.099,650 0.023,651 -0.005,652 0.013,653 -0.058,654 -0.465,655 -0.357,656 -0.863,657 -0.542,658 -0.557,659 -0.414,660 -0.17,661 -0.06,662 -0.105,663 -0.046,664 -0.059,665 -0.079,666 1.896,667 4.587,668 0.333,669 14.568,670 0.99,671 1.13,672 -0.758,673 0.574,674 0.639,675 2.944,676 3.219,677 3.178,678 3.258,679 3.367,680 3.332,681 3.178,682 3.135,683 2.833,684 2.708,685 5.678,686 0.579,687 268.44,688 2.944,689 4.443,690 5.187,691 6.023,692 6.786,693 7.621,694 8.39,695 9.225,696 9.998,697 10.831,698 2.5,712 1,715 4,720 2,722 6,741 40,743 7,744 1,745 18,747 40,748 14,749 6,750 2,751 4,756 1,757 1,762 1,763 1,770 1,772 7,773 7,777 1,782 1,786 1,789 1,790 1,793 22,794 2,796 4,797 1,802 1,803 1,807 1,808 1,809 2,829 1,859 1,862 1,864 4,868 18,876 3,878 1,879 1,883 1,893 5,896 1,898 1,901 10.75,902 8.333,903 4.042,904 2.556,907 1.18,908 1.211,909 0.874,910 5.863,911 6.767,912 3.135,913 3.597,914 3.855,915 4.261,916 4.706,917 4.634,918 4.663,919 4.644,920 4.095,921 4.095,922 1,923 20,924 6.66,926 2.569,927 0.026,929 7.685,931 12.898,933 9.753,936 2.185,937 39.333,938 0.002,941 258.964,942 123.664,945 36.145,947 32.22,948 91.445,949 295.109,951 34.014,952 9.233,953 37.905,954 25.145,955 15.736,956 5.556,957 291.184,959 258.964,960 91.445,961 36.145,962 32.22,964 258.964,965 36.145,968 18.058,969 73.387,971 32.22,972 258.964,973 36.145,974 123.664,977 258.964,978 51.745,979 71.919,981 36.145,982 258.964,983 36.145,984 123.664,986 0.575,987 0.274,988 0.124,989 0.066,990 9,991 5,992 0.175,993 7,995 1,996 3.026,997 108.074,999 6,1000 66.304,1001 1,1005 15.227,1006 6.931,1007 6.634,1009 36.145,1010 8.012,1015 2.209,1018 418.773,1019 22,1024 11.587,1028 -0.229,1031 39.611,1032 45.197,1034 0.279,1035 0.55,1036 0.737,1037 0.756,1038 0.756,1039 0.756,1040 4.35,1041 -0.04,1042 5.22,1043 0.95,1044 3.892,1045 4.277,1046 3.81,1047 5.953,1048 3.735,1049 5.546,1050 -0.328,1051 6.749,1052 -0.086,1053 3.761,1054 4.159,1055 3.665,1056 7.125,1057 3.488,1058 6.842,1059 -0.853,1060 8.383,1061 -0.702,1062 5.517,1063 6.29,1064 6.655,1065 9.846,1066 5.191,1067 8.164,1068 -1,1069 10.077,1070 -1.908,1071 6.089,1072 6.797,1073 7.162,1074 11.732,1075 5.635,1076 9.507,1077 -1,1078 11.808,1079 -3,1080 7.431,1081 8.546,1082 9.651,1083 14.108,1084 6.928,1085 10.863,1086 -1,1087 13.562,1088 -3,1089 8.292,1090 9.323,1091 10.478,1092 16.246,1093 7.661,1094 12.228,1095 -1.281,1096 15.334,1097 -3,1098 9.484,1099 10.911,1100 12.679,1101 18.544,1102 8.795,1103 3.099,1104 -1.586,1105 17.118,1106 -3.456,1107 10.477,1108 11.844,1109 13.711,1110 20.777,1111 9.664,1112 2.695,1113 9.951,1114 18.913,1115 -4.092,1116 11.615,1117 13.34,1118 15.725,1119 23.062,1120 10.73,1121 2.374,1122 7.566,1123 20.717,1124 3.647,1125 12.671,1126 14.377,1127 16.902,1128 25.331,1129 11.667,1130 1.972,1131 6.601,1132 22.528,1133 3.101,1134 13.79,1135 15.813,1136 18.786,1137 27.618,1138 12.703,1139 1.119,1140 5.328,1141 24.346,1142 2.933,1143 14.877,1144 16.924,1145 20.065,1146 29.902,1147 13.675,1148 1,1149 2.434,1150 26.169,1151 2.534,1152 15.993,1153 18.318,1154 21.858,1155 32.193,1156 14.698,1157 0.575,1158 2.275,1159 27.996,1160 1.5,1161 17.096,1162 19.483,1163 23.212,1164 34.484,1165 15.69,1166 2941,1167 4460,1168 10.92,1169 25.557,1170 26.097,1171 28.956,1172 26.254,1173 25.818,1174 25.669,1175 31.053,1176 13.753,1177 70.21,1178 23.749,1179 5.024,1180 6.782,1181 5.947,1182 5.147,1183 5.099,1184 6.647,1185 8.766,1186 15.44,1187 4.798,1188 11.645,1189 1.45,1190 1.609,1191 1.459,1192 1.434,1193 1.426,1194 1.725,1195 0.764,1196 3.901,1197 1.319,1198 3.93,1199 3.962,1200 4.038,1201 3.895,1202 7.432,1203 3.87,1204 3.836,1205 3.914,1206 3.706,1207 3.594,1208 4.72,1209 3.609,1210 3.464,1211 3.494,1212 3.604,1213 3.344,1214 4.492,1215 3.295,1216 3.346,1217 3.404,1218 3.168,1219 3.118,1220 4.269,1221 3.122,1222 3.04,1223 3.068,1224 2.968,1225 2.902,1226 4.002,1227 2.847,1228 2.874,1229 3.009,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 2.874,1235 3.009,1236 2.581,1237 2.618,1238 3.467,1239 2.57,1240 2.854,1241 2.925,1242 2.499,1243 2.618,1244 3.467,1245 2.57,1246 0.228,1247 0.266,1248 0.355,1249 0.222,1250 0.172,1251 4.101,1252 0.203,1253 4.782,1254 0.263,1255 6.394,1256 0.553,1257 4.002,1258 0.155,1259 3.099,1260 3.647,1261 4.73,1262 9.951,1263 2.798,1264 1.917,1265 1.895,1266 2.035,1267 2.039,1268 1.268,1269 2.038,1270 1.768,1271 1.684,1272 2.01,1273 1.985,1274 1.205,1275 2.009,1276 1.433,1277 1.379,1278 1.712,1279 1.624,1280 0.853,1281 1.659,1282 1.287,1283 1.235,1284 1.593,1285 1.57,1286 0.782,1287 1.576,1288 0.962,1289 0.946,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.934,1295 0.821,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.934,1301 0.804,1302 1.181,1303 1.19,1304 0.254,1305 1.179,1306 0.886,1307 0.804,1308 1.076,1309 1.062,1310 0.218,1311 1.107,1312 3.611,1314 4.89,1316 6.326,1318 7.824,1320 9.353,1322 8.334,1328 2.294,1330 5.187,1331 1.145,1335 0.795,1340 23.17,1341 59.467,1342 117.064,1343 156.838,1344 160.838,1345 160.838,1346 160.838,1347 37.711,1348 5.587,1349 26.3,1350 51.6,1351 6,1352 11.416,1353 3,1354 2.322,1355 42.174,1356 61,1357 56,1358 0.342,1359 153.342,1360 265.35,1361 365.914,1362 1478,1364 13.596,1365 0.755,1366 0.693,1367 13.95,1368 12.472,1369 8.404,1370 0.467,1371 0.398,1372 6.303,1373 7.595,1374 5.912,1375 5.081,1376 8.812,1377 7.157,1378 8.089,1379 0.337,1380 0.272,1381 8.844,1382 6.518,1383 4.903,1384 0.213,1385 0.148,1386 5.577,1387 3.397,1388 3.543,1389 0.142,1390 0.079,1391 4.194,1392 1.966,1393 2.505,1394 0.089,1395 0.046,1396 3.102,1397 1.284,1398 0.549,1399 56.919,1400 0.303,1401 18.701,1402 0.894,1403 84,1404 232.664,1405 119.486,1406 241.467,1407 317.66,1408 224,1409 89,1410 205.242,1411 115.077,1412 226.462,1413 322.94,1414 208,1415 4.301}
{0 CHEMBL104,1 1.354,2 6.36,3 5.223,4 27.279,5 102.112,6 8.211,7 0.821,8 3.83,9 3.934,10 3.503,11 3.522,12 4.951,13 3.477,14 4.308,15 4.441,16 3.871,17 3.919,18 5.36,19 3.855,20 4.582,21 4.759,22 4.022,23 4.105,24 5.524,25 4.014,26 4.719,27 4.885,28 4.248,29 4.264,30 5.743,31 4.191,32 4.911,33 5.063,34 4.42,35 4.472,36 6.026,37 4.382,38 5.098,39 5.307,40 4.273,41 4.471,42 6.138,43 4.315,44 4.892,45 5.176,46 3.508,47 4.028,48 5.738,49 3.786,50 4.221,51 4.577,52 2.022,53 3.091,54 4.822,55 2.737,56 0.021,57 0.511,58 6.907,59 3.392,60 7.5,61 4.547,62 0.092,63 0.865,64 12.381,65 5.536,66 13.212,67 7.352,68 0.099,69 1.1,70 20.273,71 8.388,72 20.873,73 11.306,74 0.187,75 1.275,76 24.323,77 9.167,78 20.009,79 12.12,80 0.138,81 1.526,82 26.756,83 11.048,84 29.016,85 14.632,86 0.301,87 1.831,88 42.268,89 15.022,90 55.198,91 19.944,92 0.248,93 1.54,94 38.508,95 13.782,96 48.784,97 18.796,98 0.146,99 0.808,100 21.801,101 7.815,102 26.215,103 10.928,104 2,105 39,106 0.233,107 0.405,108 0.555,109 0.684,110 0.756,111 0.771,112 3.27,113 0.917,114 -6.15,115 -6,116 -5.58,121 52.4,132 1,144 14,145 3,146 1,147 1,153 1,162 1,176 16,179 1,180 3,187 21,192 5,200 20,206 10,214 23,219 8,227 30,232 7,239 26,244 3,251 14,264 3,281 975,282 17.514,283 17.514,284 17.514,285 17.514,286 17.514,287 14.74,288 13.656,289 10.653,290 17.794,291 13.836,292 13.836,293 13.836,294 13.836,295 13.836,296 9.998,297 17.362,298 4.97,299 14.342,300 4.038,301 3.037,302 2.165,303 1.41,304 0.991,305 0.905,306 3.966,308 1,311 1,312 1,313 345,314 2.915,317 68.876,318 246.033,325 0.854,326 9.904,329 0.75,330 0.83,331 1,332 0.6,334 1,335 1,336 0.74,337 51.333,338 159,339 4.968,340 4.293,341 8.485,342 4.789,343 3.815,344 4.398,345 1.811,346 17.293,347 3.715,348 3.984,349 2.991,350 6.066,351 3.508,352 2.576,353 3.58,355 8.155,356 2.379,357 3.752,358 2.361,359 5.586,360 3.278,361 2.295,362 3.319,364 6.653,365 2.278,366 3.736,367 2.351,368 5.58,369 3.237,370 2.278,371 3.298,373 6.623,374 2.154,375 3.224,376 1.948,377 4.603,378 2.756,379 1.785,380 2.519,382 4.315,383 1.725,384 2.865,385 1.636,386 4,387 2.361,388 1.414,389 2.026,391 3.229,392 1.328,393 2.781,394 1.38,395 3.669,396 2.317,397 1.317,398 1.908,400 2.927,401 1.317,402 2.751,403 1.378,404 3.615,405 2.283,406 1.3,407 1.861,409 2.901,410 1.219,411 2.543,412 1.14,413 3.593,414 2.035,415 1.092,416 1.562,418 2.508,419 1.027,420 2.5,421 1,422 3.247,423 2,424 1,425 1.5,427 2.136,428 1,429 2.5,430 1,431 3.247,432 2,433 1,434 1.5,436 2.136,437 1,438 2.118,439 0.623,440 3.222,441 1.554,442 0.618,443 0.927,445 1.372,446 0.577,447 1.901,448 0.618,449 3,450 1.448,451 0.491,452 0.679,454 1.27,455 0.463,456 1.031,457 0.269,458 2.817,459 0.563,460 -0.272,461 -0.335,463 -0.611,464 -0.181,465 0.719,466 -0.529,467 2.703,468 0.295,469 -0.705,470 -0.952,472 -1.571,473 -0.705,474 12.514,475 0.501,476 0.427,477 0.017,478 37.5,479 1.5,480 22,481 0.88,482 15.5,483 0.62,484 17.524,485 0.701,486 24.086,487 0.573,488 27.584,489 1.103,490 7.611,491 0.304,492 4.721,493 0.189,494 0.057,495 0.04,496 0.192,501 0.665,502 1.091,503 0.596,504 0.838,505 0.7,506 0.807,507 0.898,508 1.021,509 0.759,510 0.892,511 0.879,512 0.917,513 0.862,514 1.002,515 0.825,516 0.897,517 0.831,518 0.886,519 1.08,520 0.932,521 0.905,522 0.83,523 0.785,524 0.801,525 1.08,526 1.089,527 0.967,528 0.987,529 0.838,530 0.996,531 1.285,532 1.105,533 1.36,534 1.225,535 1.355,536 1.217,537 1.071,538 1.018,539 1.222,540 1.18,541 1.309,542 1.19,543 0.737,544 0.764,545 0.923,546 0.947,547 1.005,548 0.973,549 3.5,551 3.111,552 2.778,553 1.443,554 0.494,555 0.541,556 0.246,559 5679,560 14775,561 2.169,562 40.5,564 14,565 1,566 2,572 1.698,573 2.098,574 2.608,575 -0.869,582 56.883,583 1.354,584 2.356,585 3.228,586 3.982,587 4.402,588 4.488,589 2.032,590 3.539,591 4.617,592 2.78,593 833.879,594 8.081,595 9898.62,600 226.477,601 1.177,602 4.597,603 0.125,605 0.08,606 0.063,607 0.026,608 0.008,609 0.011,610 0.012,613 0.326,614 0.5,615 0.88,616 0.372,617 114.136,618 0.026,619 -0.109,620 0.031,621 -0.021,622 -0.048,623 0.01,624 -0.006,625 0.007,626 -0.054,627 -0.055,628 -0.159,629 -0.084,630 0.007,631 -0.034,632 0.049,633 0.034,634 -0.025,635 0.045,636 0.035,637 0.078,638 0.053,639 0.084,640 0.103,641 0.098,642 -0.078,643 -0.109,644 -0.049,645 -0.085,646 0.088,647 -0.109,648 -0.102,649 -0.145,650 -0.2,651 -0.226,652 -0.129,653 -0.236,654 -0.087,655 -0.064,656 -0.112,657 -0.1,658 -0.159,659 -0.098,660 0.05,661 0.192,662 0.136,663 0.218,664 0.026,665 0.234,666 1.836,667 2.58,668 0.92,669 15.92,670 0.99,671 1.101,672 4.925,673 24.255,674 0.737,675 3.367,676 3.689,677 4.078,678 4.443,679 4.673,680 4.71,681 4.804,682 4.771,683 4.554,684 4.205,685 4.448,686 0.692,687 344.86,688 3.367,689 4.905,690 5.796,691 6.713,692 7.64,693 8.576,694 9.516,695 10.46,696 11.404,697 12.351,698 4.8,706 1,708 1,715 17,716 1,720 4,721 1,722 23,740 1,741 42,743 23,744 3,745 28,747 45,748 22,749 21,750 4,751 14,756 4,757 4,758 1,772 21,773 1,774 1,793 17,794 1,796 3,797 1,799 1,802 2,808 1,828 1,829 3,859 4,865 1,868 25,882 1,892 1,901 11.917,902 7.46,903 5.611,904 2.436,907 2.356,908 1.346,909 1.012,910 4.227,911 9.173,912 3.701,913 4.301,914 4.932,915 5.575,916 6.098,917 6.342,918 6.808,919 7.17,920 7.346,921 7.403,922 1,923 44,924 9.184,926 3.907,927 0.026,929 7.541,931 17.791,933 14.796,936 2.041,937 51.028,941 200.109,942 172.438,943 18.685,944 39.149,948 172.438,949 239.257,950 18.685,953 141.715,954 48.946,955 24.004,956 11.771,957 164.795,958 39.149,959 200.109,960 191.123,962 39.149,964 200.109,968 19.565,969 154.772,970 55.934,972 200.109,973 18.685,974 211.587,977 200.109,978 13.057,979 161.28,981 55.934,982 200.109,983 18.685,984 211.587,986 0.567,987 0.357,988 0.229,989 0.132,990 20,991 7,992 0.089,993 4,995 1,996 3.469,997 231.64,999 23,1000 96.096,1005 15.829,1006 6.676,1007 2.602,1009 16.786,1010 34.474,1011 4.314,1015 4.01,1016 2.124,1018 430.38,1019 39.5,1031 41.596,1032 46.262,1034 0.251,1035 0.437,1036 0.599,1037 0.739,1038 0.816,1039 0.832,1040 4.911,1041 1.3,1042 5.79,1043 2.927,1044 4.369,1045 4.987,1046 1.688,1047 6.753,1048 4.3,1049 6.122,1050 1.092,1051 7.438,1052 2.901,1053 4.007,1054 4.527,1055 1.827,1056 8.37,1057 3.871,1058 7.44,1059 1,1060 9.241,1061 2.508,1062 6.094,1063 7.168,1064 2.503,1065 11.644,1066 5.968,1067 8.815,1068 1,1069 11.154,1070 2.136,1071 6.781,1072 7.655,1073 3.003,1074 14.217,1075 6.607,1076 10.24,1077 0.618,1078 13.141,1079 2.136,1080 8.318,1081 9.65,1082 3.596,1083 17.152,1084 8.143,1085 11.705,1086 0.491,1087 15.179,1088 1.372,1089 9.435,1090 10.605,1091 4.169,1092 19.944,1093 9.225,1094 13.2,1095 -0.272,1096 17.249,1097 1.27,1098 10.817,1099 12.315,1100 4.759,1101 22.813,1102 10.594,1103 3.815,1104 -0.705,1105 19.342,1106 -0.611,1107 12.084,1108 13.516,1109 5.348,1110 25.651,1111 11.833,1112 2.576,1113 17.293,1114 21.45,1115 -1.571,1116 13.429,1117 15.094,1118 5.94,1119 28.506,1120 13.158,1121 2.295,1122 8.155,1123 23.567,1124 4.398,1125 14.744,1126 16.427,1127 6.532,1128 31.353,1129 14.447,1130 2.278,1131 6.653,1132 25.691,1133 3.58,1134 16.082,1135 17.945,1136 7.125,1137 34.204,1138 15.762,1139 1.785,1140 6.623,1141 27.819,1142 3.319,1143 17.413,1144 19.348,1145 7.718,1146 37.054,1147 17.067,1148 1.414,1149 4.315,1150 29.951,1151 3.298,1152 18.751,1153 20.84,1154 8.312,1155 39.905,1156 18.379,1157 1.317,1158 3.229,1159 32.085,1160 2.519,1161 20.087,1162 22.28,1163 8.906,1164 42.755,1165 19.689,1166 5447,1167 8878,1168 19.356,1169 30.961,1170 42.564,1171 41.977,1172 43.46,1173 42.155,1174 41.964,1175 58.153,1176 3.621,1177 123.037,1178 40.367,1179 5.741,1180 6.293,1181 8.287,1182 5.847,1183 5.815,1184 7.398,1185 2.491,1186 25.633,1187 5.715,1188 5.876,1189 1.52,1190 1.499,1191 1.552,1192 1.506,1193 1.499,1194 2.077,1195 0.129,1196 4.394,1197 1.442,1198 4.104,1199 4.136,1200 4.109,1201 4.035,1202 5.014,1203 4.035,1204 3.813,1205 3.841,1206 3.869,1207 3.765,1208 4.888,1209 3.754,1210 3.808,1211 3.841,1212 3.729,1213 3.753,1214 4.751,1215 3.743,1216 3.784,1217 3.84,1218 3.721,1219 3.604,1220 4.688,1221 3.628,1222 3.119,1223 3.161,1224 3.293,1225 3.04,1226 4.338,1227 3.034,1228 2.879,1229 2.925,1230 3.033,1231 2.799,1232 3.877,1233 2.77,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 3.674,1239 2.715,1240 2.854,1241 2.922,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.177,1247 0.153,1248 0.303,1249 0.171,1250 0.136,1251 4.968,1252 0.157,1253 4.293,1254 0.065,1255 8.485,1256 0.618,1257 4.789,1258 0.133,1259 3.815,1260 4.398,1261 1.811,1262 17.293,1263 3.715,1264 2.036,1265 2.015,1266 2.114,1267 2.105,1268 1.32,1269 2.11,1270 1.824,1271 1.794,1272 1.961,1273 1.905,1274 1.01,1275 1.926,1276 1.82,1277 1.794,1278 1.934,1279 1.893,1280 1.007,1281 1.913,1282 1.453,1283 1.397,1284 1.6,1285 1.655,1286 0.7,1287 1.642,1288 1.288,1289 1.222,1290 1.45,1291 1.523,1292 0.43,1293 1.508,1294 0.991,1295 0.939,1296 1.192,1297 1.133,1298 0.243,1299 1.158,1300 0.886,1301 0.824,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 4.043,1314 5.361,1315 2.398,1316 6.925,1317 4.443,1318 8.611,1319 6.326,1320 10.37,1323 6.691,1334 -0.586,1340 29.085,1341 56.883,1342 98.933,1343 135.565,1344 167.258,1345 184.868,1346 188.477,1347 32.52,1348 6.817,1349 17.82,1350 17.82,1351 23,1352 12.843,1353 4.585,1354 3.644,1355 35.123,1356 59,1357 70,1358 0.271,1359 181.948,1360 304.29,1361 435.714,1362 5825,1363 2.4,1364 17.115,1365 0.685,1366 0.574,1367 17.615,1368 14.343,1369 12.331,1370 0.44,1371 0.306,1372 8.165,1373 11.874,1374 7.944,1375 6.601,1376 12.62,1377 8.555,1378 10.519,1379 0.27,1380 0.162,1381 10.89,1382 6.299,1383 9.441,1384 0.163,1385 0.084,1386 9.786,1387 4.868,1388 8.598,1389 0.102,1390 0.045,1391 8.928,1392 3.758,1393 7.04,1394 0.066,1395 0.025,1396 7.375,1397 2.644,1398 0.389,1399 78.216,1400 0.227,1401 22.954,1402 0.89,1403 134,1404 317.494,1405 153.71,1406 353.129,1407 490.48,1408 332,1409 164,1410 350.497,1411 180.9,1412 371.982,1413 550.26,1414 352,1415 4.712}
{0 CHEMBL104334,1 1.89,2 14.472,3 4.218,4 17.792,5 137.51,6 8.773,7 0.447,8 4.204,9 4.312,10 3.918,11 3.66,12 5.499,13 3.666,14 4.7,15 4.85,16 4.234,17 4.031,18 6.149,19 4.02,20 4.887,21 5.053,22 4.311,23 4.133,24 6.109,25 4.111,26 5.064,27 5.278,28 4.366,29 4.158,30 6.389,31 4.127,32 4.98,33 5.151,34 4.301,35 4.117,36 6.3,37 4.105,38 4.988,39 5.167,40 4.367,41 4.117,42 6.554,43 4.083,44 4.91,45 5.085,46 4.333,47 4.05,48 6.267,49 4.024,50 4.918,51 5.109,52 4.206,53 3.956,54 6.505,55 3.933,56 0.411,57 0.928,58 9.741,59 4.859,60 14.997,61 5.727,62 0.793,63 1.379,64 23.883,65 8.471,66 117.201,67 9.852,68 0.844,69 1.586,70 27.51,71 9.749,72 61.818,73 11.746,74 1.298,75 1.661,76 38.289,77 11.349,78 129.648,79 14.842,80 1.328,81 1.529,82 32.069,83 10.283,84 141.125,85 11.641,86 1.458,87 1.569,88 35.476,89 10.545,90 209.212,91 13.081,92 1.103,93 1.454,94 32.175,95 9.953,96 118.587,97 11.519,98 1.458,99 1.348,100 39.379,101 9.967,102 234.283,103 11.861,104 82,105 52,106 0.303,107 0.6,108 0.76,109 0.815,110 0.846,111 0.857,112 3.615,113 0.922,114 -4,115 -3.96,116 -3.75,121 35.6,126 2,127 4,144 6,146 5,147 1,149 1,154 2,168 6,176 2,179 3,180 6,183 1,185 2,191 2,192 12,195 3,197 4,200 2,205 3,206 8,209 6,210 1,211 1,214 1,218 5,219 2,222 2,227 2,231 7,232 6,235 6,237 1,239 3,243 5,244 7,247 1,249 3,251 1,255 7,256 5,259 2,261 1,264 1,268 5,269 8,272 1,277 2,281 2872,282 23.551,283 23.551,284 23.551,285 23.551,286 23.551,287 20.569,288 36.264,289 14.067,290 24.213,291 18.768,292 18.768,293 18.768,294 18.768,295 18.768,296 14.279,297 56.485,298 6.672,299 19.774,300 3.993,301 2.141,302 1.14,303 0.797,304 0.602,305 0.534,306 4.293,313 1081,314 4.796,317 121.64,318 271.907,325 2.083,326 60.83,329 0.5,330 0.5,331 0.5,332 0.6,334 0.33,336 0.35,337 82.5,338 521,339 4.556,340 4.25,341 6.604,342 4.117,343 3.15,344 4.322,345 3.272,346 10.527,347 3.045,348 4.378,349 3.849,350 6.406,351 3.905,352 2.947,353 4.089,354 2.612,355 9.765,356 2.818,357 4.139,358 3.803,359 6.186,360 3.75,361 2.763,362 3.746,363 2.612,364 8.91,365 2.728,366 4.124,367 3.76,368 5.675,369 3.629,370 2.668,371 3.735,372 2.612,373 7.971,374 2.56,375 3.651,376 2.999,377 5.159,378 3.178,379 2.244,380 3.074,381 0.916,382 6.086,383 2.097,384 3.525,385 2.919,386 5.03,387 3.083,388 2.126,389 2.935,390 0.4,391 6.065,392 2.032,393 3.371,394 2.711,395 4.903,396 2.907,397 1.964,398 2.508,399 0.4,400 5.274,401 1.85,402 3.237,403 2.641,404 4.588,405 2.717,406 1.797,407 2.454,408 0.172,409 4.37,410 1.657,411 2.92,412 2.298,413 4.338,414 2.661,415 1.703,416 2.03,418 4.327,419 1.621,420 2.883,421 2.225,422 3.819,423 2.424,424 1.488,425 1.954,427 3.242,428 1.39,429 2.76,430 1.743,431 3.72,432 2.327,433 1.371,434 1.811,436 3.097,437 1.287,438 2.607,439 1.67,440 3.69,441 2.114,442 1.124,443 1.605,445 2.793,446 1.11,447 2.602,448 1.453,449 3.466,450 1.969,451 1,452 1.595,454 2.304,455 0.967,456 2.215,457 1.321,458 3.287,459 1.778,460 0.833,461 1.094,463 1.891,464 0.776,465 1.918,466 1.156,467 3.174,468 1.587,469 0.67,470 0.828,472 1.573,473 0.606,474 16.467,475 0.457,476 1.021,477 0.028,478 50,479 1.389,480 26,481 0.722,482 24,483 0.667,484 29.24,485 0.812,486 40.533,487 0.687,488 44.383,489 1.233,490 9.732,491 0.27,492 7.419,493 0.206,494 0.182,496 0.34,501 0.441,502 1.301,503 0.665,504 0.991,505 0.49,506 0.952,507 0.653,508 1.202,509 1.026,510 1.167,511 0.359,512 0.951,513 0.815,514 1.269,515 0.992,516 1.254,517 0.553,518 1.16,519 0.755,520 0.975,521 0.838,522 0.942,523 0.758,524 0.898,525 1.251,526 0.898,527 1.036,528 0.887,529 1.194,530 0.957,531 0.735,532 1.037,533 1.041,534 1.112,535 0.746,536 1.043,537 1.031,538 1.139,539 1.038,540 1.19,541 1.165,542 1.066,543 0.982,544 0.968,545 1.292,546 1.168,547 1.004,548 0.939,549 8,550 0.189,551 3.556,552 2.819,553 2.032,554 1.775,555 0.808,556 0.749,557 0.456,558 0.37,559 19447,560 71726,561 1.963,562 39,564 20,566 1,567 2,572 1.775,573 1.8,574 3.746,575 0.341,582 111.492,583 1.89,584 3.741,585 4.742,586 5.086,587 5.281,588 5.349,589 3.184,590 4.781,591 5.137,592 4.004,593 2522.48,594 9.036,595 42088.7,600 347.076,601 1.53,602 5.076,603 0.211,604 0.005,605 0.068,606 0.053,607 0.037,608 0.034,609 0.016,610 0.016,611 0.01,612 0.009,613 0.459,614 0.33,615 0.63,616 1.122,617 199.2,618 0.215,619 -0.023,620 0.067,621 0.053,622 0.015,623 -0.017,624 0.094,625 -0.036,626 -0.033,627 -0.026,628 0.265,629 0.048,630 -0.048,631 -0.16,632 -0.074,633 -0.207,634 0.004,635 -0.169,636 0.111,637 -0.004,638 0.167,639 0.035,640 0.073,641 0.119,642 -0.184,643 0.09,644 -0.091,645 0.083,646 -0.184,647 -0.001,648 0.232,649 -0.02,650 0.034,651 -0.047,652 0.252,653 -0.049,654 -0.052,655 -0.116,656 0.053,657 -0.1,658 -0.114,659 -0.072,660 0.107,661 -0.001,662 -0.041,663 -0.036,664 0.197,665 0.068,666 2.808,667 4.565,668 0.472,669 45.111,670 1.036,671 1.139,672 2.774,673 7.694,674 0.66,675 3.664,676 3.97,677 4.174,678 4.419,679 4.575,680 4.682,681 4.718,682 4.736,683 4.754,684 4.82,685 8.591,686 0.653,687 517.58,688 3.664,689 5.198,690 6.023,691 6.893,692 7.742,693 8.617,694 9.476,695 10.355,696 11.219,697 12.1,698 11.9,701 1,703 1,706 1,708 1,709 3,715 7,716 1,718 1,720 8,722 17,734 2,735 3,741 59,743 23,744 1,745 38,747 61,748 21,749 15,750 4,751 2,756 3,757 3,772 15,773 6,777 6,779 3,782 6,792 1,793 23,794 11,795 2,796 15,797 1,802 7,808 1,809 7,822 1,828 1,829 2,855 1,859 3,860 1,862 1,864 2,868 36,876 4,877 2,879 1,881 1,893 11.9,898 1,899 6,901 20,902 11.167,903 8,904 3.133,907 3.205,908 1.419,909 0.934,910 9.608,911 10.859,912 3.98,913 4.577,914 5.049,915 5.601,916 6.024,917 6.342,918 6.58,919 6.805,920 7.011,921 7.397,922 1,923 53,924 13.361,926 5.755,927 0.026,929 8.296,931 24.038,933 18.765,936 2.796,937 100.667,941 247.193,942 147.937,943 72.941,945 161.748,947 32.22,948 115.718,949 408.941,950 72.941,951 33.803,952 6.011,953 56.857,954 46.567,955 53.474,956 13.226,957 267.642,958 152.241,959 247.193,960 188.659,961 161.748,962 32.22,964 247.193,965 9.507,966 152.241,968 36.193,969 100.66,970 51.806,971 32.22,972 247.193,973 234.69,974 147.937,977 247.193,978 65.24,979 102.832,980 36.022,981 178.534,982 247.193,983 234.69,984 147.937,986 0.578,987 0.319,988 0.175,989 0.094,990 21,991 12,992 0.213,993 13,995 1,996 4.552,997 323.36,999 17,1000 176.117,1001 1,1005 27.355,1006 12.644,1007 7.63,1009 217.679,1010 9.617,1011 3.871,1013 5.746,1015 -0.231,1017 36.022,1018 629.82,1019 52.5,1021 -2.228,1024 68.801,1031 61.149,1032 67.196,1034 0.321,1035 0.636,1036 0.806,1037 0.865,1038 0.898,1039 0.909,1040 5.205,1041 1.797,1042 6.014,1043 5.274,1044 4.654,1045 5.265,1046 4.063,1047 6.804,1048 4.564,1049 6.424,1050 1.703,1051 7.565,1052 4.37,1053 4.29,1054 5.231,1055 3.407,1056 7.695,1057 4.181,1058 7.739,1059 1.488,1060 9.217,1061 4.327,1062 6.225,1063 7.476,1064 6.039,1065 10.769,1066 6.061,1067 9.09,1068 1.371,1069 10.928,1070 3.242,1071 6.648,1072 8.237,1073 5.599,1074 12.485,1075 6.468,1076 10.471,1077 1.124,1078 12.678,1079 3.097,1080 8.082,1081 9.987,1082 8.19,1083 15.076,1084 7.857,1085 11.874,1086 1,1087 14.455,1088 2.793,1089 8.868,1090 11.097,1091 7.654,1092 17.133,1093 8.62,1094 13.293,1095 0.833,1096 16.251,1097 2.304,1098 10.104,1099 12.66,1100 10.422,1101 19.551,1102 9.818,1103 3.15,1104 0.67,1105 18.061,1106 1.891,1107 11.062,1108 13.931,1109 9.647,1110 21.755,1111 10.748,1112 2.947,1113 10.527,1114 19.883,1115 1.573,1116 12.218,1117 15.417,1118 12.704,1119 24.11,1120 11.868,1121 2.763,1122 9.765,1123 21.713,1124 4.322,1125 13.257,1126 16.767,1127 11.607,1128 26.38,1129 12.876,1130 2.668,1131 8.91,1132 23.55,1133 4.089,1134 14.383,1135 18.221,1136 15.019,1137 28.714,1138 13.967,1139 2.244,1140 7.971,1141 25.392,1142 3.746,1143 15.462,1144 19.611,1145 13.551,1146 31.014,1147 15.012,1148 2.126,1149 6.086,1150 27.24,1151 3.735,1152 16.58,1153 21.053,1154 17.354,1155 33.343,1156 16.095,1157 1.964,1158 6.065,1159 29.09,1160 3.074,1161 17.679,1162 22.465,1163 15.485,1164 35.659,1165 17.16,1166 19262,1167 37419,1168 24.274,1169 38.96,1170 56.691,1171 61.848,1172 58.528,1173 56.171,1174 56.165,1175 76.163,1176 25.997,1177 157.616,1178 53.532,1179 5.479,1180 6.25,1181 6.371,1182 5.231,1183 5.15,1184 7.322,1185 6.545,1186 17.397,1187 5.045,1188 23.598,1189 1.492,1190 1.628,1191 1.54,1192 1.478,1193 1.478,1194 2.004,1195 0.684,1196 4.148,1197 1.409,1198 4.081,1199 4.111,1200 4.067,1201 3.918,1202 7.822,1203 3.941,1204 3.942,1205 3.968,1206 3.971,1207 3.803,1208 7.812,1209 3.812,1210 3.935,1211 3.955,1212 3.914,1213 3.75,1214 7.811,1215 3.776,1216 3.658,1217 3.686,1218 3.719,1219 3.463,1220 6.999,1221 3.403,1222 3.568,1223 3.64,1224 3.649,1225 3.287,1226 6.999,1227 3.302,1228 3.511,1229 3.578,1230 3.429,1231 3.149,1232 6.999,1233 3.239,1234 3.454,1235 3.485,1236 3.377,1237 3.012,1238 5.035,1239 3.099,1240 3.329,1241 3.363,1242 3.333,1243 2.982,1244 4.886,1245 3.042,1246 0.12,1247 0.112,1248 0.174,1249 0.108,1250 0.083,1251 4.556,1252 0.114,1253 4.25,1254 0.086,1255 6.604,1256 0.277,1257 4.117,1258 0.08,1259 3.15,1260 4.322,1261 3.272,1262 10.527,1263 3.045,1264 1.958,1265 1.93,1266 2.016,1267 2.158,1268 1.172,1269 2.105,1270 1.829,1271 1.796,1272 1.913,1273 2.058,1274 1.07,1275 1.997,1276 1.648,1277 1.592,1278 1.868,1279 1.882,1280 1.032,1281 1.881,1282 1.6,1283 1.57,1284 1.742,1285 1.844,1286 0.945,1287 1.786,1288 1.441,1289 1.383,1290 1.662,1291 1.747,1292 0.852,1293 1.68,1294 1.299,1295 1.259,1296 1.526,1297 1.65,1298 0.657,1299 1.627,1300 1.264,1301 1.215,1302 1.417,1303 1.635,1304 0.469,1305 1.534,1306 1.167,1307 1.132,1308 1.323,1309 1.53,1310 0.364,1311 1.527,1312 4.344,1314 5.652,1315 2.398,1316 7.133,1317 4.595,1318 8.704,1319 6.555,1320 10.33,1322 3.886,1328 2.172,1329 5.496,1331 1.544,1333 1.992,1340 38.555,1341 111.492,1342 220.737,1343 279.792,1344 300.056,1345 311.566,1346 315.566,1347 123.893,1348 7.654,1349 190.79,1350 216.09,1351 17,1352 12.639,1353 4.585,1354 3.954,1355 73.841,1356 179,1357 216,1358 0.191,1359 244.493,1360 430.08,1361 588.322,1362 23973,1364 26.242,1365 0.729,1366 0.561,1367 26.595,1368 20.188,1369 17.151,1370 0.451,1371 0.307,1372 10.374,1373 15.481,1374 10.03,1375 8.353,1376 17.651,1377 11.68,1378 15.808,1379 0.304,1380 0.17,1381 16.306,1382 8.844,1383 11.645,1384 0.182,1385 0.089,1386 12.201,1387 5.721,1388 9.807,1389 0.12,1390 0.048,1391 10.315,1392 3.963,1393 7.306,1394 0.076,1395 0.027,1396 7.82,1397 2.626,1398 0.307,1399 116.515,1400 0.203,1401 33.409,1402 0.505,1403 180,1404 741.9,1405 228.645,1406 715.768,1407 924.34,1408 654,1409 206,1410 656.556,1411 251.968,1412 651.138,1413 929.83,1414 602,1415 6.187}
{0 CHEMBL104355,1 1.824,2 12,3 3.696,4 13.661,5 96.435,6 8.033,7 0.44,8 3.877,9 3.992,10 3.538,11 3.378,12 5.052,13 3.342,14 4.4,15 4.576,16 3.827,17 3.727,18 5.641,19 3.669,20 4.566,21 4.75,22 3.844,23 3.788,24 5.693,25 3.707,26 4.685,27 4.939,28 3.812,29 3.775,30 5.78,31 3.657,32 4.535,33 4.733,34 3.714,35 3.664,36 5.937,37 3.567,38 4.489,39 4.729,40 3.513,41 3.619,42 5.469,43 3.435,44 4.255,45 4.474,46 3.51,47 3.454,48 5.305,49 3.29,50 4.196,51 4.453,52 3.276,53 3.325,54 5.14,55 3.189,56 0.168,57 0.709,58 9.002,59 4.248,60 8.623,61 5.125,62 0.385,63 1.076,64 21.315,65 7.156,66 46.504,67 8.504,68 0.514,69 1.207,70 24.594,71 8.19,72 41.506,73 9.872,74 0.609,75 1.199,76 29.892,77 9.271,78 60.889,79 12.116,80 0.85,81 1.018,82 24.278,83 7.657,84 119.401,85 9.149,86 0.535,87 0.971,88 27.082,89 8.096,90 63.591,91 10.134,92 0.393,93 0.833,94 22.137,95 6.987,96 50.491,97 7.941,98 0.353,99 0.796,100 23.625,101 6.477,102 35.804,103 7.684,104 31,105 33,106 0.319,107 0.619,108 0.792,109 0.838,110 0.846,111 0.846,112 3.226,113 1.031,114 -3.76,115 -3.72,116 -3.54,121 36.4,126 2,127 4,144 5,146 3,154 2,168 2,176 2,179 1,180 3,185 1,187 1,191 1,192 5,195 1,197 3,200 2,206 4,209 2,214 1,219 2,227 1,232 2,235 1,237 1,239 2,244 2,249 1,256 1,264 1,268 1,269 3,272 1,277 3,281 820,282 15.706,283 15.706,284 15.706,285 15.706,286 15.706,287 14.032,288 22.587,289 9.547,290 16.208,291 12.361,292 12.361,293 12.361,294 12.361,295 12.361,296 9.843,297 30.504,298 4.572,299 13.14,300 3.635,301 1.921,302 0.935,303 0.671,304 0.625,305 0.625,306 3.888,310 1,311 1,312 1,313 589,314 3.808,317 78.248,318 93.456,325 1.75,326 31.195,328 1,329 1,330 1,331 0.83,332 1,333 0.5,334 1,335 1,336 0.9,337 54,338 288,339 4.417,340 4.25,341 6.426,342 3.962,343 2.996,344 4.142,345 3.272,346 9.846,347 2.889,348 4.124,349 3.807,350 5.675,351 3.75,352 2.763,353 3.735,354 2.612,355 7.971,356 2.728,357 3.675,358 2.999,359 5.03,360 3.178,361 2.244,362 3.144,363 0.916,364 6.084,365 2.097,366 3.396,367 2.938,368 4.964,369 3.117,370 2.184,371 2.662,372 0.4,373 5.841,374 2.025,375 3.367,376 2.702,377 4.918,378 2.955,379 2.009,380 2.507,381 0.172,382 5.346,383 1.892,384 2.918,385 2.541,386 4.338,387 2.694,388 1.774,389 1.954,391 4.342,392 1.629,393 2.642,394 2.24,395 3.709,396 2.407,397 1.496,398 1.637,400 3.248,401 1.335,402 2.592,403 1.729,404 3.604,405 2,406 1,407 1.589,409 2.423,410 1,411 2.216,412 1.458,413 3.285,414 1.787,415 0.863,416 1.098,418 1.924,419 0.784,420 1.927,421 1.13,422 3.136,423 1.611,424 0.686,425 0.855,427 1.605,428 0.626,429 1.346,430 1,431 2.63,432 1.056,433 0.144,434 0.165,436 0.334,437 0.128,438 1,439 0.758,440 2.368,441 0.673,442 -0.261,443 -0.292,445 -0.647,446 -0.237,447 0.894,448 0.447,449 2.344,450 0.475,451 -0.428,452 -0.483,454 -1.045,455 -0.379,456 0.734,457 0.049,458 2.101,459 0.203,460 -0.761,461 -0.974,463 -2,464 -0.707,465 0.676,466 -0.23,467 1.69,469 -0.954,470 -1,472 -2,473 -0.88,474 11.319,475 0.472,476 0.634,477 0.026,478 28.75,479 1.198,480 13.5,481 0.563,482 15.25,483 0.635,484 19.463,485 0.811,486 27.681,487 0.629,488 20.275,489 0.845,490 5.58,491 0.232,492 5.873,493 0.245,494 0.172,496 0.292,499 1,501 0.544,502 1.189,503 0.724,504 1.047,505 0.503,506 1.024,507 0.774,508 1.052,509 1.123,510 1.151,511 0.436,512 0.949,513 1.016,514 1.19,515 1.109,516 1.234,517 0.777,518 1.198,519 0.679,520 0.865,521 0.824,522 0.936,523 0.713,524 0.891,525 1.095,526 0.776,527 1.067,528 0.898,529 0.843,530 1.022,531 0.861,532 0.908,533 1.242,534 1.17,535 0.93,536 1.128,537 0.956,538 1.097,539 1.265,540 1.303,541 1.064,542 1.137,543 0.783,544 1.031,545 1.365,546 1.335,547 0.674,548 0.945,549 5.5,550 0.131,551 2,552 1.632,553 1.138,554 0.678,555 0.238,556 0.209,557 0.156,558 0.14,559 6898,560 23248,561 1.948,562 45.5,564 19,567 1,572 1.66,573 1.8,574 3.52,575 -0.219,577 1,579 1,582 80.267,583 1.824,584 3.538,585 4.525,586 4.789,587 4.834,588 4.834,589 2.939,590 4.002,591 4.56,592 3.734,593 1030.56,594 7.821,595 13248.2,597 1,599 1,600 240.215,601 1.49,602 4.498,603 0.22,604 0.007,605 0.061,606 0.054,607 0.039,608 0.027,609 0.013,610 0.012,611 0.009,612 0.008,613 0.451,614 0.33,615 1,616 1.152,617 118.38,618 0.103,619 -0.082,620 0.067,621 0.004,623 -0.023,624 -0.006,625 -0.019,626 -0.06,627 -0.028,628 0.175,629 0.054,630 -0.086,631 -0.144,632 -0.134,633 -0.194,634 -0.051,635 -0.213,636 0.116,637 -0.007,638 0.174,639 0.038,640 0.069,641 0.115,642 0.046,643 0.138,644 -0.081,645 0.074,646 0.207,647 -0.072,648 -0.058,649 -0.055,650 -0.076,651 -0.047,652 -0.107,653 -0.092,654 -0.072,655 -0.097,656 0.017,657 -0.064,658 -0.113,659 -0.079,660 -0.006,661 -0.033,662 -0.039,663 -0.106,664 0.011,665 0.121,666 2.59,667 5.069,668 0.458,669 21.861,670 1.019,671 1.139,672 2.531,673 6.405,674 0.655,675 3.258,676 3.526,677 3.664,678 3.871,679 3.932,680 3.829,681 3.761,682 3.555,683 3.584,684 3.664,685 7.223,686 0.625,687 353.46,688 3.258,689 4.762,690 5.557,691 6.402,692 7.219,693 8.066,694 8.892,695 9.738,696 10.568,697 11.413,698 6.8,701 1,703 1,709 1,715 5,718 1,720 5,722 11,734 1,735 1,740 1,741 44,743 13,744 1,745 25,747 45,748 16,749 10,750 3,751 3,756 2,757 2,772 10,773 6,777 2,779 1,782 2,789 1,790 1,791 1,792 1,793 20,794 6,795 1,796 8,797 1,802 3,808 1,809 3,828 1,829 1,855 1,859 2,860 1,862 1,864 2,866 1,868 24,876 4,877 1,879 1,881 1,892 1,893 6.8,898 1,899 2,901 13.333,902 8.376,903 5.389,904 2.375,907 2.131,908 1.327,909 0.932,910 7.09,911 8.658,912 3.512,913 4.056,914 4.49,915 5.004,916 5.306,917 5.276,918 5.35,919 4.96,920 5.041,921 5.266,922 0.875,923 30,924 8.882,926 3.667,927 0.026,929 8.09,931 16.518,933 12.792,936 2.59,937 62.167,940 1,941 223.651,942 127.936,943 26.805,945 60.254,946 14.96,947 32.22,948 95.717,949 283.905,950 41.765,951 22.463,952 6.011,953 47.381,954 18.011,955 27.266,956 25.858,957 255.87,958 50.747,959 223.651,960 122.522,961 75.214,962 32.22,964 238.611,965 9.507,966 50.747,968 9.135,969 89.706,970 23.681,971 32.22,972 238.611,973 87.059,974 127.936,977 223.651,978 63.762,979 72.968,980 18.011,981 75.214,982 223.651,983 102.019,984 127.936,986 0.57,987 0.303,988 0.165,989 0.088,990 13,991 7,992 0.2,993 9,995 1,996 3.703,997 170.472,999 11,1000 106.039,1001 1,1005 18.776,1006 9.063,1007 6.117,1009 96.349,1010 7.445,1013 5.709,1015 1.292,1017 18.011,1018 453.607,1019 32.5,1021 -0.59,1024 21.809,1031 44.829,1032 50.12,1034 0.334,1035 0.648,1036 0.829,1037 0.877,1038 0.885,1039 0.885,1040 4.716,1041 1,1042 5.525,1043 3.248,1044 4.205,1045 4.741,1046 3.568,1047 6.252,1048 4.102,1049 5.903,1050 0.863,1051 7.034,1052 2.423,1053 3.761,1054 4.59,1055 2.396,1056 7.008,1057 3.632,1058 7.19,1059 0.686,1060 8.64,1061 1.924,1062 5.714,1063 6.877,1064 5.684,1065 10.045,1066 5.542,1067 8.512,1068 0.144,1069 10.304,1070 1.605,1071 6.043,1072 7.538,1073 4.512,1074 11.648,1075 5.857,1076 9.865,1077 -0.261,1078 12.005,1079 0.334,1080 7.489,1081 9.318,1082 7.951,1083 14.201,1084 7.269,1085 11.24,1086 -0.428,1087 13.735,1088 -0.647,1089 8.192,1090 10.351,1091 6.557,1092 16.182,1093 7.958,1094 12.633,1095 -0.761,1096 15.487,1097 -1.045,1098 9.426,1099 11.922,1100 10.266,1101 18.559,1102 9.162,1103 2.996,1104 -0.954,1105 17.257,1106 -2,1107 10.319,1108 13.137,1109 8.548,1110 20.709,1111 10.035,1112 2.763,1113 9.846,1114 19.041,1115 -2,1116 11.46,1117 14.617,1118 12.603,1119 23.022,1120 11.148,1121 2.244,1122 7.971,1123 20.837,1124 4.142,1125 12.448,1126 15.923,1127 10.509,1128 25.245,1129 12.11,1130 2.184,1131 6.084,1132 22.643,1133 3.735,1134 13.551,1135 17.363,1136 14.954,1137 27.536,1138 13.183,1139 2.009,1140 5.841,1141 24.457,1142 3.144,1143 14.586,1144 18.716,1145 12.452,1146 29.792,1147 14.189,1148 1.774,1149 5.346,1150 26.279,1151 2.662,1152 15.673,1153 20.137,1154 17.312,1155 32.076,1156 15.245,1157 1.496,1158 4.342,1159 28.106,1160 2.507,1161 16.732,1162 21.516,1163 14.386,1164 34.346,1165 16.272,1166 6975,1167 13037,1168 16.008,1169 28.818,1170 36.638,1171 40.542,1172 37.371,1173 36.351,1174 36.321,1175 46.976,1176 14.747,1177 97.928,1178 34.266,1179 5.338,1180 6.25,1181 6.194,1182 5.073,1183 4.996,1184 7.142,1185 6.545,1186 16.341,1187 4.889,1188 14.542,1189 1.466,1190 1.622,1191 1.495,1192 1.454,1193 1.453,1194 1.879,1195 0.59,1196 3.917,1197 1.371,1198 4.007,1199 4.035,1200 4.011,1201 3.867,1202 8.201,1203 3.88,1204 3.939,1205 3.953,1206 3.945,1207 3.799,1208 7.815,1209 3.809,1210 3.568,1211 3.645,1212 3.714,1213 3.458,1214 6.999,1215 3.389,1216 3.514,1217 3.579,1218 3.47,1219 3.283,1220 5.034,1221 3.284,1222 3.466,1223 3.498,1224 3.365,1225 3.036,1226 4.623,1227 3.138,1228 3.097,1229 3.164,1230 3.127,1231 2.962,1232 4.272,1233 2.926,1234 2.886,1235 3.009,1236 2.743,1237 2.72,1238 4.083,1239 2.715,1240 2.874,1241 2.961,1242 2.572,1243 2.618,1244 3.685,1245 2.57,1246 0.177,1247 0.17,1248 0.257,1249 0.158,1250 0.12,1251 4.417,1252 0.166,1253 4.25,1254 0.131,1255 6.426,1256 0.394,1257 3.962,1258 0.116,1259 2.996,1260 4.142,1261 3.272,1262 9.846,1263 2.889,1264 1.91,1265 1.884,1266 1.989,1267 2.092,1268 1.151,1269 2.049,1270 1.648,1271 1.592,1272 1.868,1273 1.882,1274 1.036,1275 1.881,1276 1.596,1277 1.568,1278 1.739,1279 1.747,1280 1.025,1281 1.771,1282 1.427,1283 1.365,1284 1.66,1285 1.665,1286 0.849,1287 1.634,1288 1.281,1289 1.22,1290 1.525,1291 1.602,1292 0.657,1293 1.542,1294 1.189,1295 1.161,1296 1.417,1297 1.529,1298 0.469,1299 1.53,1300 0.934,1301 0.846,1302 1.274,1303 1.239,1304 0.36,1305 1.308,1306 0.901,1307 0.804,1308 1.179,1309 1.126,1310 0.213,1311 1.158,1312 3.932,1314 5.209,1315 2.398,1316 6.648,1317 4.595,1318 8.17,1319 6.555,1320 9.745,1322 3.967,1324 13.069,1328 2.793,1329 2.973,1331 1.661,1333 2.037,1340 27.52,1341 80.267,1342 155.693,1343 199.096,1344 210.705,1345 212.705,1346 212.705,1347 61.676,1348 6.526,1349 74.23,1350 99.53,1351 11,1352 11.978,1353 3.807,1354 3.087,1355 48.974,1356 107,1357 90,1358 0.223,1359 176.597,1360 306.95,1361 422.658,1362 5876,1363 2.3,1364 17.527,1365 0.73,1366 0.602,1367 17.01,1368 14.437,1369 11.452,1370 0.458,1371 0.344,1372 7.377,1373 10.287,1374 7.037,1375 5.876,1376 11.559,1377 8.588,1378 10.399,1379 0.315,1380 0.2,1381 10.263,1382 6.609,1383 7.308,1384 0.192,1385 0.109,1386 7.522,1387 4.133,1388 6,1389 0.128,1390 0.061,1391 6.318,1392 2.88,1393 4.422,1394 0.088,1395 0.038,1396 4.489,1397 1.885,1398 0.367,1399 78.531,1400 0.25,1401 24.244,1402 0.567,1403 116,1404 467.801,1405 152.293,1406 435.872,1407 559.21,1408 402,1409 129,1410 378.441,1411 161.661,1412 379.286,1413 540.49,1414 350,1415 6.187}
{0 CHEMBL104387,1 1.149,2 17,3 8.348,4 69.686,5 135.7,6 6.096,7 0.629,8 4.287,9 4.426,10 3.694,11 3.876,12 5.17,13 3.797,14 4.863,15 5.067,16 3.968,17 4.274,18 5.641,19 4.152,20 5.189,21 5.464,22 4.011,23 4.421,24 5.855,25 4.255,26 5.201,27 5.482,28 3.883,29 4.403,30 5.843,31 4.21,32 5.197,33 5.491,34 3.723,35 4.352,36 5.793,37 4.128,38 5.143,39 5.455,40 3.567,41 4.241,42 5.686,43 3.999,44 5.034,45 5.346,46 3.508,47 4.144,48 5.578,49 3.911,50 4.954,51 5.258,52 3.465,53 4.084,54 5.515,55 3.858,56 0.084,57 0.946,58 16.904,59 7.139,60 11.733,61 10.299,62 0.172,63 1.603,64 29.749,65 11.961,66 19.36,67 17.516,68 0.234,69 2.067,70 40.166,71 16.158,72 26.759,73 23.701,74 0.23,75 2.06,76 40.425,77 16.57,78 26.73,79 24.169,80 0.204,81 1.995,82 39.775,83 16.93,84 25.333,85 24.448,86 0.188,87 1.847,88 37.353,89 15.962,90 22.241,91 23.04,92 0.171,93 1.662,94 33.533,95 14.263,96 19.44,97 20.612,98 0.159,99 1.545,100 31.021,101 13.171,102 18.217,103 19.04,105 44,106 0.18,107 0.401,108 0.522,109 0.638,110 0.697,111 0.731,112 3.501,113 1.101,114 -6.95,115 -6.75,116 -6.25,121 42.9,123 10,127 2,144 12,145 2,147 2,148 2,176 21,187 20,189 8,200 17,203 8,214 18,216 4,227 19,229 2,239 18,241 2,251 17,253 2,264 16,266 2,277 15,279 2,281 1920,282 22.623,283 22.623,284 22.623,285 22.623,286 22.623,287 20.049,288 9.487,289 14.381,290 22.836,291 17.38,292 17.38,293 17.38,294 17.38,295 17.38,296 13.62,297 5,298 6.906,299 17.743,300 4.98,301 3.565,302 2.792,303 2.05,304 1.672,305 1.457,306 4.209,312 1,313 1196,314 3.873,318 400.728,322 340.035,325 2.625,326 6.805,329 0.75,330 0.67,331 0.67,332 0.7,333 0.5,334 0.67,335 0.5,336 0.64,337 65,338 544,339 4.493,340 3.069,341 6.505,342 3.994,343 3.03,344 4.43,346 10.194,347 2.924,348 4.493,349 3.069,350 6.505,351 3.994,352 3.03,353 4.43,355 10.194,356 2.924,357 3.515,358 2.226,359 5.203,360 3.108,361 2.146,362 2.908,364 6.251,365 2.06,366 3.514,367 2.224,368 5.203,369 3.103,370 2.143,371 2.908,373 6.251,374 2.051,375 3.118,376 1.92,377 4.18,378 2.912,379 1.917,380 2.427,382 3.911,383 1.904,384 3.118,385 1.72,386 4.179,387 2.714,388 1.719,389 2.427,391 3.84,392 1.708,393 2.937,394 1.618,395 3.934,396 2.614,397 1.618,398 1.944,400 3.779,401 1.612,402 2.789,403 1.618,404 3.768,405 2.614,406 1.618,407 1.909,409 3.482,410 1.612,411 2.771,412 1.454,413 3.615,414 2.446,415 1.451,416 1.9,418 3.022,419 1.443,420 2.745,421 1.286,422 3.59,423 2.271,424 1.28,425 1.767,427 2.846,428 1.267,429 2.54,430 1.269,431 3.521,432 2.258,433 1.267,434 1.546,436 2.784,437 1.254,438 2.401,439 1.16,440 3.375,441 2.135,442 1.142,443 1.372,445 2.438,446 1.134,447 2.287,448 0.99,449 3.266,450 1.939,451 0.949,452 1.23,454 2.12,455 0.938,456 2.036,457 0.827,458 3.083,459 1.798,460 0.809,461 0.98,463 1.78,464 0.8,465 1.685,466 0.556,467 2.819,468 1.545,469 0.555,470 0.616,472 1.182,473 0.549,474 15.8,475 0.494,476 0.342,477 0.011,478 37,479 1.156,480 18,481 0.563,482 19,483 0.594,484 31.051,485 0.97,486 34.6,487 0.494,488 22.379,489 0.699,490 6.504,491 0.203,492 9.411,493 0.294,496 0.177,501 1.036,502 1.297,503 1.012,504 1.133,505 0.836,506 1.083,507 1.476,508 1.248,509 1.153,510 1.151,511 0.919,512 1.14,513 1.227,514 0.986,515 0.946,516 0.926,517 0.756,518 0.924,519 1.245,520 0.995,521 1.06,522 1.007,523 0.95,524 1.022,525 0.928,526 1.005,527 1.058,528 1.052,529 1.026,530 1.059,531 0.784,532 0.946,533 0.974,534 0.987,535 0.912,536 0.989,537 0.809,538 0.917,539 0.946,540 0.951,541 0.861,542 0.954,543 0.855,544 0.945,545 0.976,546 0.979,547 0.917,548 0.982,549 2.5,550 0.066,551 2.444,552 1.25,553 0.871,554 0.306,555 0.201,556 0.142,557 0.106,558 0.082,559 20527,560 35421,561 2.158,562 54.3,563 16,564 16,566 2,569 4,572 1.73,573 2.133,574 3.963,575 -0.929,582 80.422,583 1.149,584 2.564,585 3.337,586 4.079,587 4.458,588 4.672,589 3.281,590 3.875,591 4.981,592 4.231,593 2098.7,594 8.623,595 36977.1,600 429.05,601 0.696,602 4.979,603 0.071,604 0.003,605 0.056,606 0.028,607 0.023,608 0.01,609 0.008,610 0.006,611 0.004,612 0.004,613 0.212,614 0.5,615 0.75,617 178.488,618 0.145,619 -0.119,620 0.068,621 -0.024,622 0.226,623 0.011,624 -0.064,625 -0.131,626 -0.099,627 -0.117,628 0.07,629 -0.111,630 0.017,631 0.03,632 0.058,633 0.051,634 0.174,635 0.056,636 -0.11,637 0.004,638 -0.066,639 -0.03,640 -0.011,641 -0.043,642 -0.08,643 -0.047,644 -0.088,645 -0.071,646 -0.116,647 -0.079,648 -0.012,649 -0.018,650 -0.019,651 -0.02,652 -0.069,653 -0.02,654 -0.001,655 0.016,656 0.013,657 0.016,658 -0.032,659 0.015,660 -0.02,661 -0.002,662 -0.013,663 -0.007,664 -0.066,665 -0.009,666 0.365,667 0.409,668 0.625,669 38.5,670 0.973,671 1.121,672 5.72,673 32.722,674 0.653,675 3.584,676 3.807,677 4.06,678 4.29,679 4.477,680 4.394,681 4.431,682 4.443,683 4.454,684 4.205,685 10.349,686 0.593,687 426.7,688 3.584,689 5.069,690 5.889,691 6.723,692 7.561,693 8.406,694 9.252,695 10.104,696 10.956,697 11.811,698 2.9,708 2,714 4,715 14,721 2,722 22,741 70,743 22,744 2,745 35,747 73,748 30,749 18,750 4,751 8,756 4,757 6,770 10,772 18,773 12,793 38,796 2,802 2,803 2,808 0.5,822 2,829 4,833 2,859 2,868 32,876 12,901 15,902 12.167,903 7.361,904 5.028,907 4.228,908 1.55,909 0.992,910 8.948,911 11.921,912 3.85,913 4.407,914 5.03,915 5.636,916 6.198,917 6.366,918 6.696,919 6.986,920 7.272,921 6.615,922 0.909,923 45,924 11.885,926 4.833,927 0.026,929 7.271,931 24.21,933 20.07,936 1.771,937 56.667,941 447.302,942 170.801,943 3.798,948 170.801,949 447.302,950 3.798,952 29.557,953 113.715,954 27.34,955 27.529,957 423.76,959 447.302,960 174.599,964 400.217,965 47.084,968 51.94,969 118.861,970 3.798,972 447.302,973 3.798,974 170.801,977 447.302,978 38.991,979 135.608,982 447.302,983 3.798,984 170.801,986 0.548,987 0.318,988 0.181,989 0.097,990 18,991 6,992 0.178,993 13,994 2,995 1.2,996 4.808,997 256.394,998 0.2,999 20,1000 124,1005 22.767,1006 12.578,1007 6.789,1008 5.388,1010 30.585,1016 4.817,1018 621.901,1019 46,1031 68.108,1032 78.47,1034 0.187,1035 0.418,1036 0.544,1037 0.666,1038 0.727,1039 0.762,1040 5.021,1041 1.618,1042 5.79,1043 3.779,1044 4.489,1045 5.094,1047 6.512,1048 4.444,1049 6.17,1050 1.451,1051 7.276,1052 3.482,1053 3.611,1054 4.691,1056 7.273,1057 3.483,1058 7.437,1059 1.28,1060 8.878,1061 3.022,1062 5.964,1063 7.326,1065 10.432,1066 5.855,1067 8.754,1068 1.267,1069 10.561,1070 2.846,1071 6.089,1072 7.942,1074 12.183,1075 5.887,1076 10.117,1077 1.142,1078 12.3,1079 2.784,1080 7.755,1081 9.932,1083 14.796,1084 7.57,1085 11.515,1086 0.949,1087 14.078,1088 2.438,1089 8.401,1090 11.026,1092 16.902,1093 8.135,1094 12.939,1095 0.809,1096 15.882,1097 2.12,1098 9.752,1099 12.736,1101 19.335,1102 9.486,1103 3.03,1104 0.555,1105 17.706,1106 1.78,1107 10.653,1108 14.049,1110 21.572,1111 10.323,1112 3.03,1113 10.194,1114 19.542,1115 1.182,1116 11.865,1117 15.637,1119 23.938,1120 11.52,1121 2.146,1122 10.194,1123 21.387,1124 4.43,1125 12.883,1126 17.046,1128 26.226,1129 12.486,1130 2.143,1131 6.251,1132 23.239,1133 4.43,1134 14.034,1135 18.58,1137 28.566,1138 13.614,1139 1.917,1140 6.251,1141 25.096,1142 2.908,1143 15.104,1144 20.033,1146 30.874,1147 14.639,1148 1.719,1149 3.911,1150 26.956,1151 2.908,1152 16.23,1153 21.541,1155 33.203,1156 15.736,1157 1.618,1158 3.84,1159 28.819,1160 2.427,1161 17.322,1162 23.014,1164 35.519,1165 16.787,1166 18948,1167 25018,1168 24.614,1169 45.717,1170 49.526,1171 49.746,1172 50.103,1173 49.813,1174 49.752,1175 66.03,1177 129.022,1178 48.757,1179 5.463,1180 5.069,1181 6.451,1182 5.031,1183 5.03,1184 7.43,1186 16.969,1187 4.924,1189 1.415,1190 1.421,1191 1.432,1192 1.423,1193 1.421,1194 1.887,1196 3.686,1197 1.393,1198 4.131,1199 4.169,1200 4.08,1201 4.043,1202 4.941,1203 4.047,1204 4.092,1205 4.128,1206 4.046,1207 4.007,1208 4.909,1209 4.012,1210 3.807,1211 3.87,1212 3.646,1213 3.695,1214 4.365,1215 3.675,1216 3.688,1217 3.752,1218 3.531,1219 3.566,1220 4.363,1221 3.548,1222 3.564,1223 3.629,1224 3.433,1225 3.434,1226 4.217,1227 3.425,1228 3.482,1229 3.54,1230 3.359,1231 3.37,1232 4.097,1233 3.361,1234 3.408,1235 3.468,1236 3.255,1237 3.302,1238 3.989,1239 3.283,1240 3.276,1241 3.348,1242 3.11,1243 3.136,1244 3.887,1245 3.119,1246 0.128,1247 0.088,1248 0.186,1249 0.114,1250 0.087,1251 4.493,1252 0.127,1253 3.069,1255 6.505,1256 0.291,1257 3.994,1258 0.084,1259 3.03,1260 4.43,1262 10.194,1263 2.924,1264 2.071,1265 2.041,1266 2.164,1267 2.18,1268 1.447,1269 2.177,1270 2.07,1271 2.04,1272 2.162,1273 2.179,1274 1.377,1275 2.176,1276 1.82,1277 1.761,1278 2.062,1279 1.969,1280 1.308,1281 2.005,1282 1.713,1283 1.651,1284 1.963,1285 1.868,1286 1.243,1287 1.904,1288 1.574,1289 1.512,1290 1.827,1291 1.743,1292 1.126,1293 1.774,1294 1.486,1295 1.434,1296 1.699,1297 1.642,1298 0.95,1299 1.665,1300 1.431,1301 1.377,1302 1.646,1303 1.575,1304 0.765,1305 1.604,1306 1.302,1307 1.231,1308 1.585,1309 1.478,1310 0.677,1311 1.519,1312 4.263,1314 5.509,1316 6.967,1318 8.536,1320 10.168,1328 15.876,1340 41.525,1341 80.422,1342 179.469,1343 233.592,1344 285.54,1345 312.03,1346 327.05,1347 43.808,1348 7.693,1349 7.76,1350 7.76,1351 24,1352 12.366,1353 4.524,1354 3.585,1355 52.782,1356 208,1357 134,1358 0.117,1359 256.209,1360 432.76,1361 616.91,1362 33908,1364 21.849,1365 0.683,1366 0.612,1367 21.849,1368 19.568,1369 15.916,1370 0.455,1371 0.367,1372 12.79,1373 15.716,1374 12.543,1375 10.515,1376 15.916,1377 12.85,1378 12.912,1379 0.293,1380 0.212,1381 12.912,1382 9.312,1383 10.846,1384 0.19,1385 0.121,1386 10.846,1387 6.902,1388 9.087,1389 0.126,1390 0.07,1391 9.087,1392 5.066,1393 7.376,1394 0.085,1395 0.041,1396 7.376,1397 3.61,1398 0.201,1399 96.645,1400 0.202,1401 31.765,1402 0.28,1403 158,1404 274.666,1405 162.829,1406 283.169,1407 408.44,1408 270,1409 180,1410 315.07,1411 185.995,1412 324.896,1413 471.26,1414 310,1415 7.699}
{0 CHEMBL104553,1 1.17,2 15.862,3 6.122,4 37.481,5 122.641,6 6.305,7 0.688,8 4.16,9 4.296,10 3.603,11 3.76,12 5.077,13 3.688,14 4.722,15 4.92,16 3.883,17 4.163,18 5.539,19 4.052,20 5.035,21 5.297,22 3.894,23 4.306,24 5.748,25 4.143,26 5.048,27 5.332,28 3.705,29 4.224,30 5.704,31 4.026,32 4.975,33 5.276,34 3.542,35 4.103,36 5.573,37 3.892,38 4.869,39 5.167,40 3.421,41 4.015,42 5.451,43 3.798,44 4.815,45 5.112,46 3.375,47 3.968,48 5.402,49 3.751,50 4.76,51 5.057,52 3.328,53 3.914,54 5.355,55 3.698,56 0.071,57 0.825,58 14.397,59 6.076,60 10.588,61 8.723,62 0.156,63 1.399,64 25.466,65 10.184,66 17.296,67 14.833,68 0.191,69 1.791,70 34.47,71 14.229,72 25.095,73 20.634,74 0.197,75 1.776,76 34.862,77 14.254,78 25.501,79 20.747,80 0.192,81 1.629,82 32.406,83 13.086,84 21.562,85 19.113,86 0.16,87 1.453,88 29.001,89 12.067,90 17.879,91 17.491,92 0.144,93 1.371,94 27.402,95 11.583,96 17.014,97 16.727,98 0.138,99 1.299,100 25.95,101 10.929,102 16.529,103 15.797,105 41,106 0.188,107 0.423,108 0.568,109 0.673,110 0.727,111 0.752,112 3.406,113 1.063,114 -6.36,115 -6.2,116 -5.75,121 44.3,123 7,127 2,144 10,145 4,147 4,176 20,187 21,189 6,200 14,203 6,214 9,216 6,227 10,229 4,239 13,241 2,251 14,253 2,264 14,266 2,277 14,281 1446,282 20.397,283 20.397,284 20.397,285 20.397,286 20.397,287 17.863,288 9.487,289 12.79,290 20.611,291 15.892,292 15.892,293 15.892,294 15.892,295 15.892,296 12.151,297 5,298 6.19,299 16.24,300 4.76,301 3.299,302 2.396,303 1.737,304 1.402,305 1.246,306 4.116,312 1,313 1020,314 3.464,318 359.901,322 304.255,325 2.378,326 6.6,329 0.75,330 0.67,331 0.67,332 0.7,333 0.5,334 0.83,335 1,336 0.73,337 59,338 460,339 4.406,340 2.944,341 6.183,342 3.908,343 2.923,344 4.336,346 9.226,347 2.883,348 4.406,349 2.944,350 6.183,351 3.908,352 2.923,353 4.336,355 9.226,356 2.883,357 3.648,358 2.412,359 5.257,360 3.245,361 2.306,362 3.056,364 6.678,365 2.16,366 3.648,367 2.41,368 5.257,369 3.238,370 2.302,371 3.056,373 6.678,374 2.149,375 3.118,376 1.864,377 4.415,378 2.856,379 1.862,380 2.427,382 4.371,383 1.847,384 3.118,385 1.618,386 4.415,387 2.614,388 1.618,389 2.427,391 4.371,392 1.612,393 2.926,394 1.618,395 3.895,396 2.614,397 1.618,398 2.1,400 3.768,401 1.612,402 2.907,403 1.552,404 3.657,405 2.546,406 1.551,407 2.097,409 3.193,410 1.542,411 2.858,412 1.43,413 3.619,414 2.418,415 1.421,416 1.879,418 3.021,419 1.416,420 2.567,421 1.391,422 3.576,423 2.378,424 1.385,425 1.57,427 2.953,428 1.375,429 2.242,430 1.073,431 3.282,432 2.057,433 1.068,434 1.18,436 2.253,437 1.056,438 2.185,439 0.761,440 3.173,441 1.727,442 0.739,443 1.044,445 1.672,446 0.729,447 2.062,448 0.688,449 3.124,450 1.668,451 0.68,452 0.955,454 1.557,455 0.671,456 1.62,457 0.501,458 2.859,459 1.475,460 0.49,461 0.545,463 1.076,464 0.482,465 1.233,466 0.105,467 2.519,468 1.017,469 0.038,470 0.042,472 0.086,473 0.037,474 14.3,475 0.493,476 0.376,477 0.013,478 35.5,479 1.224,480 18,481 0.621,482 17.5,483 0.603,484 25.13,485 0.867,486 30.7,487 0.503,488 21.597,489 0.745,490 6.465,491 0.223,492 7.918,493 0.273,496 0.196,501 1.018,502 1.277,503 0.964,504 1.094,505 0.83,506 1.039,507 1.58,508 1.131,509 1.132,510 1.068,511 0.91,512 1.076,513 1.073,514 1.012,515 0.989,516 0.987,517 0.854,518 0.984,519 1.084,520 1.062,521 1.041,522 1.044,523 0.992,524 1.041,525 1.168,526 0.947,527 1,528 0.953,529 0.952,530 0.965,531 1.005,532 0.939,533 1.013,534 0.981,535 0.949,536 0.995,537 0.864,538 0.956,539 0.997,540 0.998,541 0.949,542 1.003,543 0.886,544 0.95,545 0.991,546 0.988,547 0.981,548 0.994,549 3.5,550 0.049,551 2,552 0.75,553 1.111,554 0.292,555 0.201,556 0.142,557 0.106,558 0.082,559 15540,560 27798,561 2.175,562 52.5,563 10,564 14,566 4,569 4,572 1.705,573 2.148,574 3.922,575 -0.922,582 71.393,583 1.17,584 2.632,585 3.535,586 4.193,587 4.529,588 4.685,589 3.341,590 3.892,591 4.837,592 4.123,593 1673.95,594 8.337,595 26579.3,600 361.775,601 0.736,602 4.835,603 0.109,604 0.003,605 0.049,606 0.019,607 0.036,608 0.011,609 0.009,610 0.006,611 0.005,612 0.004,613 0.251,614 0.5,615 0.88,617 155.975,618 0.143,619 -0.132,620 0.072,621 -0.028,622 0.199,623 0.01,624 -0.156,625 -0.022,626 -0.102,627 -0.059,628 0.063,629 -0.075,630 -0.016,631 -0.009,632 0.002,634 0.105,635 0.002,636 -0.029,637 -0.086,638 -0.058,639 -0.075,640 -0.036,641 -0.069,642 -0.061,643 0.017,644 -0.018,645 0.003,646 -0.057,647 -0.004,648 -0.072,649 0.013,650 -0.041,651 -0.013,652 -0.097,653 -0.023,654 -0.032,655 -0.013,656 -0.03,657 -0.022,658 -0.091,659 -0.025,660 -0.032,661 -0.005,662 -0.023,663 -0.014,664 -0.102,665 -0.017,666 0.372,667 0.336,668 0.69,669 32.409,670 0.975,671 1.118,672 5.134,673 26.356,674 0.663,675 3.497,676 3.738,677 3.97,678 4.19,679 4.419,680 4.357,681 4.394,682 4.431,683 4.443,684 4.159,685 9.398,686 0.606,687 384.61,688 3.497,689 4.99,690 5.808,691 6.642,692 7.476,693 8.318,694 9.159,695 10.005,696 10.85,697 11.699,698 3.3,708 2,714 4,715 14,721 2,722 22,741 61,743 22,744 2,745 32,747 64,748 27,749 18,750 4,751 8,756 4,757 6,770 7,772 18,773 9,793 32,796 2,802 2,803 2,808 0.5,822 2,829 4,833 2,859 2,868 29,876 9,901 13.5,902 10.667,903 6.556,904 4.264,907 4.247,908 1.56,909 1.006,910 7.121,911 11.831,912 3.784,913 4.369,914 4.98,915 5.583,916 6.19,917 6.385,918 6.709,919 7.027,920 7.303,921 6.571,922 1,923 40,924 10.75,926 4.407,927 0.026,929 7.299,931 21.761,933 18.07,936 1.799,937 52.167,941 376.675,942 163.197,943 3.798,948 163.197,949 376.675,950 3.798,952 21.953,953 94.762,954 50.883,955 46.482,957 329.591,959 376.675,960 166.995,964 329.591,965 47.084,968 58.143,969 105.054,970 3.798,972 376.675,973 3.798,974 163.197,977 376.675,978 32.245,979 134.75,982 376.675,983 3.798,984 163.197,986 0.556,987 0.316,988 0.173,989 0.097,990 18,991 6,992 0.156,993 10,994 2,995 1.2,996 4.534,997 227.123,998 0.2,999 20,1000 108.881,1005 19.882,1006 10.387,1007 5.788,1008 5.315,1010 30.627,1016 4.673,1018 543.671,1019 43,1031 59.458,1032 68.225,1034 0.197,1035 0.444,1036 0.596,1037 0.707,1038 0.764,1039 0.79,1040 4.959,1041 1.551,1042 5.72,1043 3.768,1044 4.419,1045 5.056,1047 6.425,1048 4.376,1049 6.125,1050 1.421,1051 7.198,1052 3.193,1053 3.611,1054 4.691,1056 7.081,1057 3.519,1058 7.398,1059 1.385,1060 8.779,1061 3.021,1062 5.894,1063 7.296,1065 10.188,1066 5.806,1067 8.714,1068 1.068,1069 10.427,1070 2.953,1071 5.994,1072 7.867,1074 11.755,1075 5.869,1076 10.068,1077 0.739,1078 12.12,1079 2.253,1080 7.641,1081 9.861,1083 14.311,1084 7.514,1085 11.451,1086 0.68,1087 13.845,1088 1.672,1089 8.215,1090 10.891,1092 16.251,1093 8.069,1094 12.855,1095 0.49,1096 15.592,1097 1.557,1098 9.557,1099 12.606,1101 18.606,1102 9.404,1103 2.923,1104 0.038,1105 17.356,1106 1.076,1107 10.38,1108 13.864,1110 20.703,1111 10.217,1112 2.923,1113 9.226,1114 19.131,1115 0.086,1116 11.575,1117 15.448,1119 22.979,1120 11.402,1121 2.306,1122 9.226,1123 20.916,1124 4.336,1125 12.525,1126 16.815,1128 25.145,1129 12.343,1130 2.302,1131 6.678,1132 22.708,1133 4.336,1134 13.651,1135 18.337,1137 27.39,1138 13.459,1139 1.862,1140 6.678,1141 24.505,1142 3.056,1143 14.664,1144 19.757,1146 29.586,1147 14.463,1148 1.618,1149 4.371,1150 26.306,1151 3.056,1152 15.759,1153 21.25,1155 31.817,1156 15.547,1157 1.618,1158 4.371,1159 28.111,1160 2.427,1161 16.801,1162 22.694,1164 34.027,1165 16.579,1166 14246,1167 19162,1168 22.534,1169 40.432,1170 45.798,1171 45.873,1172 46.04,1173 45.901,1174 45.848,1175 62.103,1177 120.257,1178 44.907,1179 5.361,1180 4.944,1181 6.093,1182 4.944,1183 4.923,1184 7.336,1186 15.535,1187 4.883,1189 1.431,1190 1.434,1191 1.439,1192 1.434,1193 1.433,1194 1.941,1196 3.758,1197 1.403,1198 4.121,1199 4.157,1200 4.068,1201 4.045,1202 4.938,1203 4.046,1204 4.083,1205 4.116,1206 4.034,1207 4.011,1208 4.906,1209 4.012,1210 3.788,1211 3.85,1212 3.636,1213 3.674,1214 4.396,1215 3.656,1216 3.665,1217 3.728,1218 3.539,1219 3.525,1220 4.391,1221 3.518,1222 3.547,1223 3.613,1224 3.432,1225 3.395,1226 4.164,1227 3.396,1228 3.406,1229 3.474,1230 3.257,1231 3.275,1232 3.967,1233 3.264,1234 3.217,1235 3.29,1236 3.04,1237 3.092,1238 3.879,1239 3.07,1240 3.07,1241 3.133,1242 2.941,1243 2.962,1244 3.836,1245 2.95,1246 0.138,1247 0.092,1248 0.193,1249 0.122,1250 0.091,1251 4.406,1252 0.135,1253 2.944,1255 6.183,1256 0.288,1257 3.908,1258 0.09,1259 2.923,1260 4.336,1262 9.226,1263 2.883,1264 2.07,1265 2.043,1266 2.164,1267 2.169,1268 1.429,1269 2.17,1270 2.069,1271 2.042,1272 2.16,1273 2.167,1274 1.333,1275 2.168,1276 1.803,1277 1.743,1278 2.042,1279 1.952,1280 1.276,1281 1.986,1282 1.668,1283 1.605,1284 1.907,1285 1.834,1286 1.196,1287 1.862,1288 1.529,1289 1.467,1290 1.747,1291 1.713,1292 1.006,1293 1.729,1294 1.41,1295 1.35,1296 1.628,1297 1.586,1298 0.783,1299 1.608,1300 1.248,1301 1.181,1302 1.523,1303 1.424,1304 0.639,1305 1.464,1306 1.088,1307 1.031,1308 1.369,1309 1.257,1310 0.543,1311 1.298,1312 4.174,1314 5.434,1316 6.897,1318 8.461,1320 10.079,1328 11.552,1340 36.945,1341 71.393,1342 160.543,1343 215.643,1344 255.801,1345 276.265,1346 285.775,1347 35.978,1348 7.585,1349 7.76,1350 7.76,1351 24,1352 12.259,1353 4.524,1354 3.585,1355 45.504,1356 170,1357 120,1358 0.124,1359 227.432,1360 380.86,1361 546.694,1362 27780,1364 19.728,1365 0.68,1366 0.602,1367 19.728,1368 17.447,1369 14.382,1370 0.449,1371 0.354,1372 11.276,1373 14.176,1374 11.053,1375 9.256,1376 14.382,1377 11.338,1378 12.02,1379 0.293,1380 0.203,1381 12.02,1382 8.338,1383 10.021,1384 0.193,1385 0.117,1386 10.021,1387 6.059,1388 8.215,1389 0.126,1390 0.067,1391 8.215,1392 4.331,1393 6.865,1394 0.084,1395 0.038,1396 6.865,1397 3.14,1398 0.212,1399 87.518,1400 0.211,1401 29.191,1402 0.3,1403 146,1404 262.666,1405 150.163,1406 271.269,1407 390.16,1408 258,1409 166,1410 300.507,1411 171.329,1412 311.405,1413 449.58,1414 296,1415 7.398}
{0 CHEMBL104613,1 1.156,2 17.452,3 7.035,4 49.486,5 131.843,6 6.159,7 0.647,8 4.247,9 4.385,10 3.664,11 3.838,12 5.14,13 3.762,14 4.818,15 5.021,16 3.937,17 4.243,18 5.609,19 4.123,20 5.138,21 5.408,22 3.948,23 4.386,24 5.823,25 4.215,26 5.149,27 5.439,28 3.77,29 4.311,30 5.782,31 4.105,32 5.084,33 5.389,34 3.618,35 4.201,36 5.662,37 3.983,38 4.989,39 5.292,40 3.507,41 4.121,42 5.551,43 3.898,44 4.941,45 5.243,46 3.465,47 4.079,48 5.507,49 3.855,50 4.894,51 5.196,52 3.422,53 4.03,54 5.464,55 3.807,56 0.08,57 0.906,58 16.075,59 6.786,60 11.363,61 9.777,62 0.168,63 1.533,64 28.323,65 11.405,66 18.602,67 16.657,68 0.208,69 1.961,70 38.086,71 15.779,72 26.698,73 22.924,74 0.212,75 1.939,76 38.306,77 15.738,78 26.747,79 22.937,80 0.206,81 1.789,82 35.747,83 14.545,84 22.63,85 21.259,86 0.174,87 1.616,88 32.374,89 13.555,90 18.99,91 19.654,92 0.158,93 1.536,94 30.791,95 13.078,96 18.149,97 18.893,98 0.152,99 1.464,100 29.35,101 12.43,102 17.668,103 17.97,105 43,106 0.182,107 0.408,108 0.543,109 0.644,110 0.703,111 0.741,112 3.47,113 1.089,114 -6.76,115 -6.57,116 -6.09,121 43.3,123 9,127 2,144 10,145 4,147 4,176 22,187 23,189 6,200 16,203 6,214 11,216 6,227 12,229 4,239 15,241 2,251 16,253 2,264 15,266 2,277 14,279 2,281 1816,282 21.811,283 21.811,284 21.811,285 21.811,286 21.811,287 19.278,288 9.487,289 13.79,290 22.026,291 16.892,292 16.892,293 16.892,294 16.892,295 16.892,296 13.151,297 5,298 6.69,299 17.24,300 4.91,301 3.48,302 2.626,303 1.984,304 1.612,305 1.366,306 4.179,312 1,313 1194,314 3.742,318 402.77,322 340.193,325 2.701,326 6.752,329 0.75,330 0.67,331 0.67,332 0.7,333 0.5,334 0.67,335 0.5,336 0.64,337 63,338 541,339 4.406,340 2.944,341 6.183,342 3.908,343 2.923,344 4.336,346 9.226,347 2.883,348 4.406,349 2.944,350 6.183,351 3.908,352 2.923,353 4.336,355 9.226,356 2.883,357 3.648,358 2.411,359 5.257,360 3.243,361 2.305,362 3.056,364 6.678,365 2.158,366 3.648,367 2.411,368 5.257,369 3.24,370 2.303,371 3.056,373 6.678,374 2.153,375 3.118,376 1.909,377 4.415,378 2.903,379 1.907,380 2.427,382 4.371,383 1.897,384 3.118,385 1.675,386 4.415,387 2.669,388 1.675,389 2.427,391 4.371,392 1.663,393 2.938,394 1.618,395 3.927,396 2.614,397 1.618,398 2.099,400 3.842,401 1.612,402 2.909,403 1.618,404 3.732,405 2.614,406 1.618,407 2.098,409 3.41,410 1.612,411 2.885,412 1.451,413 3.624,414 2.441,415 1.444,416 1.918,418 3.044,419 1.44,420 2.691,421 1.417,422 3.609,423 2.404,424 1.408,425 1.697,427 3.001,428 1.401,429 2.385,430 1.294,431 3.433,432 2.285,433 1.294,434 1.378,436 2.7,437 1.281,438 2.207,439 0.944,440 3.207,441 1.923,442 0.933,443 1.097,445 1.977,446 0.923,447 2.167,448 0.737,449 3.16,450 1.707,451 0.719,452 1.025,454 1.634,455 0.709,456 1.938,457 0.671,458 3.059,459 1.655,460 0.667,461 0.874,463 1.515,464 0.658,465 1.54,466 0.447,467 2.773,468 1.417,469 0.43,470 0.468,472 0.933,473 0.424,474 15.3,475 0.494,476 0.376,477 0.012,478 36.5,479 1.177,480 18,481 0.581,482 18.5,483 0.597,484 28.745,485 0.927,486 33.3,487 0.497,488 21.965,489 0.709,490 6.465,491 0.209,492 8.918,493 0.288,496 0.183,501 1.03,502 1.29,503 0.997,504 1.121,505 0.834,506 1.069,507 1.56,508 1.156,509 1.154,510 1.099,511 0.905,512 1.106,513 1.054,514 1.006,515 0.981,516 0.982,517 0.835,518 0.979,519 1.066,520 1.052,521 1.029,522 1.034,523 0.966,524 1.031,525 1.14,526 0.947,527 0.99,528 0.951,529 0.923,530 0.961,531 0.98,532 0.938,533 1.001,534 0.976,535 0.913,536 0.987,537 0.847,538 0.953,539 0.986,540 0.99,541 0.909,542 0.994,543 0.863,544 0.946,545 0.98,546 0.981,547 0.935,548 0.985,549 3.5,550 0.066,551 2,552 0.75,553 1.111,554 0.292,555 0.201,556 0.142,557 0.106,558 0.082,559 19370,560 33788,561 2.163,562 53.7,563 14,564 14,566 4,569 4,572 1.721,573 2.138,574 4.052,575 -0.927,582 77.429,583 1.156,584 2.586,585 3.44,586 4.082,587 4.455,588 4.7,589 3.47,590 3.986,591 4.933,592 4.268,593 1984.57,594 8.525,595 34169.5,600 406.428,601 0.709,602 4.933,603 0.103,604 0.003,605 0.047,606 0.018,607 0.034,608 0.01,609 0.008,610 0.006,611 0.005,612 0.004,613 0.237,614 0.5,615 0.75,617 171.757,618 0.145,619 -0.123,620 0.069,621 -0.025,622 0.218,623 0.011,624 -0.145,625 -0.041,626 -0.107,627 -0.073,628 0.079,629 -0.086,630 -0.004,631 -0.004,632 0.012,633 0.007,634 0.125,635 0.01,636 -0.019,637 -0.077,638 -0.047,639 -0.064,640 -0.015,641 -0.058,642 -0.051,643 0.015,644 -0.013,645 0.004,646 -0.04,647 -0.002,648 -0.061,649 0.012,650 -0.032,651 -0.009,652 -0.076,653 -0.017,654 -0.025,655 -0.01,656 -0.022,657 -0.016,658 -0.069,659 -0.019,660 -0.023,661 -0.003,662 -0.015,663 -0.009,664 -0.075,665 -0.011,666 0.364,667 0.343,668 0.645,669 38.314,670 0.974,671 1.12,672 5.528,673 30.554,674 0.656,675 3.555,676 3.784,677 4.007,678 4.22,679 4.443,680 4.382,681 4.419,682 4.454,683 4.466,684 4.19,685 10.348,686 0.597,687 412.67,688 3.555,689 5.043,690 5.855,691 6.683,692 7.512,693 8.349,694 9.185,695 10.028,696 10.87,697 11.716,698 3,708 2,714 4,715 14,721 2,722 22,741 67,743 22,744 2,745 34,747 70,748 29,749 18,750 4,751 8,756 4,757 6,770 9,772 18,773 11,793 36,796 2,802 2,803 2,808 0.5,822 2,829 4,833 2,859 2,868 31,876 11,901 14.5,902 11.667,903 7.056,904 4.764,907 4.184,908 1.546,909 0.996,910 8.324,911 11.842,912 3.829,913 4.394,914 4.994,915 5.591,916 6.194,917 6.389,918 6.712,919 7.029,920 7.304,921 6.574,922 1,923 42,924 11.506,926 4.692,927 0.026,929 7.28,931 23.394,933 19.403,936 1.78,937 55.167,941 423.76,942 168.266,943 3.798,948 168.266,949 423.76,950 3.798,952 27.022,953 94.762,954 50.883,955 46.482,957 376.675,959 423.76,960 172.064,964 376.675,965 47.084,968 63.212,969 105.054,970 3.798,972 423.76,973 3.798,974 168.266,977 423.76,978 37.314,979 134.75,982 423.76,983 3.798,984 168.266,986 0.552,987 0.312,988 0.17,989 0.095,990 18,991 6,992 0.171,993 12,994 2,995 1.2,996 4.774,997 243.452,998 0.2,999 20,1000 123.58,1005 21.803,1006 11.836,1007 6.785,1008 5.331,1010 30.69,1016 4.686,1018 595.824,1019 45,1031 65.225,1032 75.055,1034 0.191,1035 0.426,1036 0.567,1037 0.673,1038 0.734,1039 0.775,1040 5.001,1041 1.618,1042 5.759,1043 3.842,1044 4.466,1045 5.081,1047 6.45,1048 4.425,1049 6.155,1050 1.444,1051 7.228,1052 3.41,1053 3.611,1054 4.691,1056 7.081,1057 3.519,1058 7.421,1059 1.408,1060 8.8,1061 3.044,1062 5.927,1063 7.304,1065 10.195,1066 5.841,1067 8.73,1068 1.294,1069 10.442,1070 3.001,1071 5.994,1072 7.867,1074 11.755,1075 5.869,1076 10.08,1077 0.933,1078 12.13,1079 2.7,1080 7.66,1081 9.863,1083 14.313,1084 7.536,1085 11.459,1086 0.719,1087 13.851,1088 1.977,1089 8.215,1090 10.891,1092 16.251,1093 8.069,1094 12.861,1095 0.667,1096 15.596,1097 1.634,1098 9.567,1099 12.607,1101 18.606,1102 9.415,1103 2.923,1104 0.43,1105 17.358,1106 1.515,1107 10.38,1108 13.864,1110 20.703,1111 10.217,1112 2.923,1113 9.226,1114 19.133,1115 0.933,1116 11.58,1117 15.448,1119 22.979,1120 11.408,1121 2.305,1122 9.226,1123 20.917,1124 4.336,1125 12.525,1126 16.815,1128 25.145,1129 12.343,1130 2.303,1131 6.678,1132 22.708,1133 4.336,1134 13.654,1135 18.337,1137 27.39,1138 13.462,1139 1.907,1140 6.678,1141 24.505,1142 3.056,1143 14.664,1144 19.757,1146 29.586,1147 14.463,1148 1.675,1149 4.371,1150 26.306,1151 3.056,1152 15.76,1153 21.25,1155 31.817,1156 15.548,1157 1.618,1158 4.371,1159 28.111,1160 2.427,1161 16.801,1162 22.694,1164 34.027,1165 16.579,1166 17800,1167 23636,1168 23.92,1169 43.955,1170 48.304,1171 48.416,1172 48.588,1173 48.457,1174 48.399,1175 64.655,1177 125.361,1178 47.458,1179 5.371,1180 4.944,1181 6.119,1182 4.944,1183 4.923,1184 7.336,1186 15.535,1187 4.883,1189 1.421,1190 1.424,1191 1.429,1192 1.425,1193 1.423,1194 1.902,1196 3.687,1197 1.396,1198 4.122,1199 4.158,1200 4.068,1201 4.045,1202 4.938,1203 4.046,1204 4.083,1205 4.117,1206 4.034,1207 4.011,1208 4.906,1209 4.012,1210 3.806,1211 3.868,1212 3.65,1213 3.693,1214 4.395,1215 3.674,1216 3.697,1217 3.761,1218 3.56,1219 3.566,1220 4.392,1221 3.554,1222 3.59,1223 3.656,1224 3.47,1225 3.439,1226 4.195,1227 3.438,1228 3.475,1229 3.542,1230 3.337,1231 3.333,1232 4.029,1233 3.328,1234 3.326,1235 3.397,1236 3.153,1237 3.199,1238 3.899,1239 3.18,1240 3.148,1241 3.223,1242 2.981,1243 3.019,1244 3.86,1245 3.001,1246 0.13,1247 0.087,1248 0.182,1249 0.115,1250 0.086,1251 4.406,1252 0.128,1253 2.944,1255 6.183,1256 0.271,1257 3.908,1258 0.085,1259 2.923,1260 4.336,1262 9.226,1263 2.883,1264 2.07,1265 2.042,1266 2.163,1267 2.169,1268 1.441,1269 2.169,1270 2.07,1271 2.042,1272 2.161,1273 2.168,1274 1.357,1275 2.168,1276 1.819,1277 1.759,1278 2.059,1279 1.967,1280 1.291,1281 2.002,1282 1.711,1283 1.648,1284 1.954,1285 1.87,1286 1.237,1287 1.902,1288 1.581,1289 1.517,1290 1.816,1291 1.76,1292 1.109,1293 1.782,1294 1.468,1295 1.407,1296 1.686,1297 1.65,1298 0.916,1299 1.668,1300 1.346,1301 1.283,1302 1.59,1303 1.521,1304 0.733,1305 1.552,1306 1.18,1307 1.11,1308 1.481,1309 1.365,1310 0.62,1311 1.41,1312 4.234,1314 5.485,1316 6.936,1318 8.49,1320 10.1,1328 14.46,1340 39.998,1341 77.429,1342 173.269,1343 230.499,1344 273.515,1345 298.454,1346 314.918,1347 41.21,1348 7.658,1349 7.76,1350 7.76,1351 24,1352 12.278,1353 4.524,1354 3.585,1355 50.338,1356 200,1357 141,1358 0.115,1359 246.617,1360 415.46,1361 593.505,1362 31908,1364 21.142,1365 0.682,1366 0.608,1367 21.142,1368 18.861,1369 15.382,1370 0.452,1371 0.363,1372 12.276,1373 15.176,1374 12.033,1375 10.089,1376 15.382,1377 12.338,1378 12.727,1379 0.296,1380 0.21,1381 12.727,1382 9.045,1383 10.521,1384 0.195,1385 0.121,1386 10.521,1387 6.559,1388 8.569,1389 0.128,1390 0.07,1391 8.569,1392 4.684,1393 7.115,1394 0.085,1395 0.04,1396 7.115,1397 3.39,1398 0.199,1399 93.518,1400 0.204,1401 31.095,1402 0.275,1403 154,1404 270.666,1405 158.163,1406 279.592,1407 401.68,1408 266,1409 174,1410 308.507,1411 179.329,1412 319.728,1413 461.1,1414 304,1415 7}
{0 CHEMBL104681,1 1.951,2 12.778,3 3.591,4 12.892,5 103.759,6 8.662,7 0.393,8 3.943,9 4.05,10 3.653,11 3.405,12 5.217,13 3.397,14 4.458,15 4.617,16 3.961,17 3.765,18 5.868,19 3.741,20 4.629,21 4.794,22 4.025,23 3.843,24 5.884,25 3.807,26 4.793,27 5.02,28 4.051,29 3.84,30 6.23,31 3.782,32 4.624,33 4.806,34 3.887,35 3.718,36 5.915,37 3.671,38 4.62,39 4.817,40 3.893,41 3.662,42 6.353,43 3.568,44 4.335,45 4.536,46 3.691,47 3.505,48 5.488,49 3.384,50 4.301,51 4.539,52 3.398,53 3.403,54 5.328,55 3.296,56 0.306,57 0.751,58 8.037,59 4.196,60 15.299,61 4.821,62 0.633,63 1.121,64 20.972,65 7.154,66 88.455,67 8.164,68 0.753,69 1.293,70 23.454,71 8.122,72 59.125,73 9.471,74 1.185,75 1.295,76 32.348,77 9.563,78 163.236,79 12.149,80 1.033,81 1.09,82 24.639,83 7.793,84 101.458,85 8.842,86 1.348,87 1.067,88 29.278,89 8.101,90 241.487,91 9.786,92 0.623,93 0.893,94 22.868,95 7.021,96 86.983,97 7.651,98 0.562,99 0.769,100 25.029,101 6.325,102 73.806,103 7.923,104 60,105 38,106 0.335,107 0.62,108 0.779,109 0.816,110 0.839,111 0.839,112 3.339,113 0.974,114 -3.88,115 -3.84,116 -3.64,121 34.8,126 2,127 4,144 4,146 4,154 2,168 4,176 1,179 2,180 4,185 1,191 1,192 8,195 1,197 2,200 2,205 1,206 5,209 2,214 1,218 4,222 1,227 1,231 4,232 2,235 3,237 1,239 1,244 2,249 1,256 2,264 1,268 1,269 4,272 1,277 2,281 1175,282 17.413,283 17.413,284 17.413,285 17.413,286 17.413,287 15.434,288 25.869,289 10.402,290 17.957,291 13.813,292 13.813,293 13.813,294 13.813,295 13.813,296 10.81,297 36.289,298 4.938,299 14.65,300 3.572,301 1.914,302 0.989,303 0.772,304 0.642,305 0.642,306 3.998,311 1,312 1,313 701,314 4.243,317 90.886,318 105.704,325 1.819,326 47.362,329 1,330 0.67,331 0.83,332 0.8,333 0.5,334 0.83,335 1,336 0.8,337 62.5,338 345,339 4.535,340 4.25,341 6.557,342 4.078,343 3.114,344 4.306,345 3.272,346 10.308,347 2.996,348 4.136,349 3.856,350 6.158,351 3.75,352 2.763,353 3.743,354 2.612,355 8.753,356 2.728,357 4.124,358 3.764,359 5.675,360 3.617,361 2.663,362 3.735,363 2.612,364 7.971,365 2.534,366 3.604,367 3.001,368 5.043,369 3.178,370 2.244,371 3.023,372 0.916,373 6.084,374 2.097,375 3.371,376 2.973,377 5.029,378 3.028,379 2.075,380 2.508,381 0.4,382 5.735,383 1.972,384 3.213,385 2.699,386 4.531,387 2.715,388 1.806,389 2.411,390 0.172,391 4.347,392 1.637,393 2.918,394 2.496,395 4.338,396 2.636,397 1.693,398 1.954,400 4.233,401 1.583,402 2.777,403 2.24,404 3.805,405 2.365,406 1.454,407 1.825,409 3.209,410 1.301,411 2.602,412 1.755,413 3.69,414 2.114,415 1.127,416 1.604,418 2.79,419 1.108,420 2.215,421 1.679,422 3.287,423 1.778,424 0.833,425 1.094,427 1.891,428 0.776,429 1.915,430 1.197,431 3.163,432 1.587,433 0.67,434 0.828,436 1.572,437 0.606,438 1.431,439 1,440 2.72,441 1.059,442 0.13,443 0.16,445 0.323,446 0.118,447 1.008,448 1,449 2.623,450 0.74,451 -0.168,452 -0.193,454 -0.406,455 -0.146,456 1,457 0.762,458 2.414,459 0.577,460 -0.356,461 -0.398,463 -0.929,464 -0.331,465 1,466 0.711,467 2.238,468 0.275,469 -0.662,470 -0.794,472 -1.759,473 -0.597,474 12.386,475 0.459,476 0.812,477 0.03,478 34,479 1.259,480 16.5,481 0.611,482 17.5,483 0.648,484 21.724,485 0.805,486 31.414,487 0.683,488 26.857,489 0.995,490 6.621,491 0.245,492 6.153,493 0.228,494 0.211,496 0.339,499 1,501 0.468,502 1.183,503 0.673,504 1.029,505 0.495,506 1.002,507 0.692,508 1.086,509 1.061,510 1.164,511 0.407,512 0.932,513 0.888,514 1.219,515 1.036,516 1.279,517 0.676,518 1.202,519 0.695,520 0.931,521 0.805,522 0.952,523 0.693,524 0.895,525 1.121,526 0.814,527 1.06,528 0.915,529 1.07,530 1.024,531 0.691,532 0.991,533 1.161,534 1.139,535 0.657,536 1.105,537 0.937,538 1.128,539 1.196,540 1.325,541 0.98,542 1.173,543 0.749,544 0.895,545 1.35,546 1.283,547 0.667,548 0.964,549 6.5,550 0.144,551 2.667,552 2.194,553 1.489,554 1.247,555 0.32,556 0.272,557 0.181,558 0.2,559 9111,560 35263,561 1.913,562 41.3,564 18,567 1,572 1.694,573 1.742,574 3.578,575 -0.162,577 1,582 89.764,583 1.951,584 3.609,585 4.534,586 4.752,587 4.882,588 4.882,589 3.006,590 4.385,591 4.727,592 3.818,593 1340.25,594 8.17,595 18587.8,597 1,599 1,600 254.084,601 1.561,602 4.65,603 0.232,604 0.007,605 0.07,606 0.059,607 0.04,608 0.04,609 0.012,610 0.014,611 0.009,612 0.01,613 0.493,614 0.33,615 1,616 1.209,617 137.916,618 0.16,619 -0.039,620 0.065,621 0.034,622 0.012,623 -0.028,624 0.038,625 -0.035,626 -0.037,627 -0.014,628 0.211,629 0.083,630 -0.051,631 -0.143,632 -0.098,633 -0.217,634 -0.017,635 -0.204,636 0.195,637 0.008,638 0.215,639 0.033,640 0.195,641 0.133,642 -0.094,643 0.106,644 -0.091,645 0.057,646 -0.145,647 -0.064,648 0.36,649 0.017,650 0.023,651 -0.022,652 0.458,653 -0.088,654 -0.09,655 -0.12,656 0.057,657 -0.078,658 -0.121,659 -0.093,660 -0.042,661 -0.055,662 -0.063,663 -0.074,664 -0.013,665 0.136,666 2.99,667 5.708,668 0.407,669 27.687,670 1.037,671 1.144,672 2.65,673 7.024,674 0.652,675 3.367,676 3.664,677 3.829,678 4.043,679 4.127,680 4.19,681 4.025,682 3.85,683 3.738,684 3.829,685 7.619,686 0.64,687 398.46,688 3.367,689 4.89,690 5.7,691 6.561,692 7.396,693 8.261,694 9.105,695 9.973,696 10.821,697 11.689,698 8.7,701 1,703 1,709 2,715 4,718 1,720 6,722 11,734 1,735 2,740 1,741 46,743 15,744 1,745 28,747 47,748 16,749 10,750 4,751 2,756 2,757 2,772 10,773 6,777 4,779 2,782 4,790 1,791 1,792 1,793 19,794 8,795 1,796 11,797 1,802 4,808 1,809 5,828 1,829 1,855 1,859 2,860 1,862 1,864 2,866 1,868 27,876 4,877 1,879 1,881 1,892 1,893 10.9,898 1,899 4,901 15.5,902 8.826,903 6.028,904 2.443,907 2.211,908 1.326,909 0.919,910 7.741,911 8.988,912 3.651,913 4.23,914 4.674,915 5.204,916 5.548,917 5.854,918 5.809,919 5.664,920 5.242,921 5.449,922 1,923 37,924 10.051,926 4.309,927 0.026,929 8.383,931 18.048,933 13.974,936 2.883,937 77.833,940 1,941 211.88,942 121.217,943 32.475,945 111.001,946 14.96,947 32.22,948 88.997,949 322.881,950 47.435,951 28.133,952 6.011,953 37.905,954 18.011,955 30.023,956 25.858,957 244.099,958 101.494,959 211.88,960 121.473,961 125.961,962 32.22,964 226.84,965 9.507,966 101.494,968 9.135,969 82.987,970 29.351,971 32.22,972 226.84,973 143.476,974 121.217,977 211.88,978 66.519,979 69.162,980 18.011,981 125.961,982 211.88,983 158.436,984 121.217,986 0.578,987 0.314,988 0.169,989 0.087,990 15,991 9,992 0.213,993 10,995 1,996 3.868,997 205.411,999 11,1000 122.382,1001 1,1005 21.315,1006 9.806,1007 6.289,1009 147.096,1010 5.216,1013 5.676,1015 -0.977,1017 18.011,1018 491.533,1019 37.5,1021 -1.771,1024 43.54,1031 47.702,1032 52.622,1034 0.353,1035 0.653,1036 0.821,1037 0.86,1038 0.884,1039 0.884,1040 4.873,1041 1.454,1042 5.694,1043 4.233,1044 4.344,1045 4.916,1046 3.842,1047 6.466,1048 4.244,1049 6.087,1050 1.127,1051 7.238,1052 3.209,1053 4.007,1054 4.913,1055 3.025,1056 7.33,1057 3.883,1058 7.399,1059 0.833,1060 8.881,1061 2.79,1062 5.9,1063 7.112,1064 5.877,1065 10.382,1066 5.728,1067 8.747,1068 0.67,1069 10.582,1070 1.891,1071 6.33,1072 7.899,1073 5.197,1074 12.059,1075 6.138,1076 10.124,1077 0.13,1078 12.321,1079 1.572,1080 7.739,1081 9.619,1082 8.078,1083 14.638,1084 7.508,1085 11.523,1086 -0.168,1087 14.086,1088 0.323,1089 8.523,1090 10.749,1091 7.249,1092 16.664,1093 8.267,1094 12.939,1095 -0.356,1096 15.87,1097 -0.406,1098 9.743,1099 12.292,1100 10.347,1101 19.072,1102 9.453,1103 3.114,1104 -0.662,1105 17.669,1106 -0.929,1107 10.696,1108 13.577,1109 9.241,1110 21.254,1111 10.375,1112 2.763,1113 10.308,1114 19.48,1115 -1.759,1116 11.842,1117 15.051,1118 12.655,1119 23.599,1120 11.487,1121 2.663,1122 8.753,1123 21.3,1124 4.306,1125 12.876,1126 16.411,1127 11.202,1128 25.854,1129 12.487,1130 2.244,1131 7.971,1132 23.128,1133 3.743,1134 13.995,1135 17.86,1136 14.987,1137 28.178,1138 13.572,1139 2.075,1140 6.084,1141 24.962,1142 3.735,1143 15.07,1144 19.257,1145 13.145,1146 30.467,1147 14.609,1148 1.806,1149 5.735,1150 26.802,1151 3.023,1152 16.182,1153 20.698,1154 17.333,1155 32.787,1156 15.685,1157 1.693,1158 4.347,1159 28.646,1160 2.508,1161 17.277,1162 22.117,1163 15.079,1164 35.094,1165 16.742,1166 9268,1167 18591,1168 17.512,1169 29.972,1170 41.539,1171 45.798,1172 42.848,1173 41.179,1174 41.145,1175 54.383,1176 19.972,1177 114.435,1178 38.91,1179 5.456,1180 6.25,1181 6.324,1182 5.19,1183 5.114,1184 7.306,1185 6.545,1186 17.117,1187 4.996,1188 18.384,1189 1.484,1190 1.636,1191 1.53,1192 1.471,1193 1.469,1194 1.942,1195 0.713,1196 4.087,1197 1.39,1198 4.055,1199 4.081,1200 4.049,1201 3.89,1202 8.201,1203 3.913,1204 3.942,1205 3.955,1206 3.97,1207 3.802,1208 7.819,1209 3.811,1210 3.658,1211 3.686,1212 3.72,1213 3.463,1214 7.81,1215 3.402,1216 3.567,1217 3.64,1218 3.651,1219 3.287,1220 6.999,1221 3.3,1222 3.511,1223 3.578,1224 3.382,1225 3.138,1226 6.999,1227 3.235,1228 3.317,1229 3.342,1230 3.338,1231 2.978,1232 5.034,1233 3.023,1234 3.062,1235 3.133,1236 3.036,1237 2.86,1238 4.57,1239 2.864,1240 2.874,1241 3.009,1242 2.649,1243 2.618,1244 4.272,1245 2.57,1246 0.162,1247 0.152,1248 0.234,1249 0.146,1250 0.111,1251 4.535,1252 0.154,1253 4.25,1254 0.117,1255 6.557,1256 0.368,1257 4.078,1258 0.107,1259 3.114,1260 4.306,1261 3.272,1262 10.308,1263 2.996,1264 1.932,1265 1.909,1266 1.987,1267 2.141,1268 1.156,1269 2.082,1270 1.648,1271 1.592,1272 1.868,1273 1.882,1274 1.045,1275 1.881,1276 1.6,1277 1.57,1278 1.741,1279 1.844,1280 1.03,1281 1.786,1282 1.44,1283 1.382,1284 1.662,1285 1.747,1286 0.851,1287 1.679,1288 1.294,1289 1.253,1290 1.526,1291 1.644,1292 0.657,1293 1.626,1294 1.257,1295 1.213,1296 1.417,1297 1.53,1298 0.469,1299 1.534,1300 1.064,1301 1.033,1302 1.281,1303 1.457,1304 0.362,1305 1.383,1306 0.934,1307 0.804,1308 1.202,1309 1.239,1310 0.237,1311 1.308,1312 4.043,1314 5.342,1315 2.398,1316 6.806,1317 4.595,1318 8.358,1319 6.555,1320 9.967,1322 3.895,1324 13.708,1328 2.251,1329 2.757,1331 1.543,1333 1.996,1340 29.444,1341 89.764,1342 166.026,1343 208.574,1344 218.574,1345 224.574,1346 224.574,1347 94.489,1348 6.778,1349 120.05,1350 145.35,1351 11,1352 12.238,1353 4,1354 3.392,1355 58.951,1356 125,1357 118,1358 0.228,1359 188.457,1360 332.89,1361 451.595,1362 7839,1363 2.2,1364 19.974,1365 0.74,1366 0.579,1367 19.458,1368 15.623,1369 12.774,1370 0.456,1371 0.325,1372 7.839,1373 11.368,1374 7.522,1375 6.263,1376 12.863,1377 9.093,1378 11.837,1379 0.312,1380 0.185,1381 11.796,1382 7.025,1383 8.41,1384 0.187,1385 0.099,1386 8.586,1387 4.436,1388 6.982,1389 0.125,1390 0.055,1391 6.928,1392 3.058,1393 4.804,1394 0.079,1395 0.033,1396 5.156,1397 1.995,1398 0.373,1399 88.358,1400 0.239,1401 26.639,1402 0.586,1403 132,1404 598.917,1405 174.47,1406 554.005,1407 702.44,1408 506,1409 149,1410 480.806,1411 188.326,1412 474.426,1413 676.78,1414 437,1415 6.921}
{0 CHEMBL105017,1 1.17,2 14.586,3 6.979,4 48.709,5 121.897,6 6.305,7 0.688,8 4.16,9 4.296,10 3.603,11 3.76,12 5.077,13 3.688,14 4.722,15 4.919,16 3.889,17 4.156,18 5.538,19 4.046,20 5.039,21 5.304,22 3.934,23 4.302,24 5.744,25 4.151,26 5.053,27 5.324,28 3.795,29 4.282,30 5.73,31 4.1,32 5.048,33 5.335,34 3.619,35 4.224,36 5.674,37 4.008,38 4.986,39 5.293,40 3.445,41 4.098,42 5.553,43 3.862,44 4.857,45 5.163,46 3.377,47 3.985,48 5.429,49 3.761,50 4.76,51 5.057,52 3.328,53 3.914,54 5.355,55 3.698,56 0.071,57 0.825,58 14.397,59 6.076,60 10.588,61 8.723,62 0.153,63 1.402,64 25.477,65 10.151,66 17.469,67 14.808,68 0.21,69 1.815,70 34.777,71 13.864,72 24.384,73 20.283,74 0.208,75 1.812,76 35.153,77 14.286,78 24.646,79 20.795,80 0.182,81 1.75,82 34.706,83 14.697,84 23.672,85 21.202,86 0.167,87 1.608,88 32.473,89 13.793,90 20.826,91 19.907,92 0.15,93 1.419,94 28.568,95 12.06,96 17.879,97 17.429,98 0.138,99 1.299,100 25.95,101 10.929,102 16.529,103 15.797,105 41,106 0.188,107 0.423,108 0.558,109 0.684,110 0.738,111 0.752,112 3.406,113 1.064,114 -6.36,115 -6.2,116 -5.75,121 44.3,123 7,127 2,144 12,145 2,147 2,148 2,176 18,187 17,189 8,200 14,203 8,214 15,216 4,227 16,229 2,239 15,241 2,251 14,253 2,264 14,266 2,277 14,281 1374,282 20.501,283 20.501,284 20.501,285 20.501,286 20.501,287 17.928,288 9.487,289 12.881,290 20.714,291 15.88,292 15.88,293 15.88,294 15.88,295 15.88,296 12.12,297 5,298 6.156,299 16.243,300 4.76,301 3.296,302 2.458,303 1.672,304 1.336,305 1.246,306 4.116,312 1,313 936,314 3.464,318 337.614,322 287.002,325 2.169,326 6.592,329 0.75,330 0.67,331 0.67,332 0.7,333 0.5,334 0.83,335 1,336 0.73,337 59,338 423,339 4.493,340 3.069,341 6.505,342 3.994,343 3.03,344 4.43,346 10.194,347 2.924,348 4.493,349 3.069,350 6.505,351 3.994,352 3.03,353 4.43,355 10.194,356 2.924,357 3.515,358 2.228,359 5.203,360 3.111,361 2.149,362 2.908,364 6.251,365 2.064,366 3.514,367 2.222,368 5.203,369 3.098,370 2.139,371 2.908,373 6.251,374 2.044,375 3.118,376 1.859,377 4.181,378 2.848,379 1.855,380 2.427,382 3.885,383 1.838,384 3.118,385 1.618,386 4.178,387 2.614,388 1.618,389 2.427,391 3.83,392 1.612,393 2.894,394 1.618,395 3.889,396 2.614,397 1.618,398 1.922,400 3.705,401 1.612,402 2.775,403 1.549,404 3.661,405 2.543,406 1.549,407 1.907,409 3.2,410 1.538,411 2.768,412 1.294,413 3.597,414 2.276,415 1.285,416 1.88,418 2.861,419 1.272,420 2.627,421 1.272,422 3.566,423 2.26,424 1.269,425 1.639,427 2.808,428 1.256,429 2.428,430 1.182,431 3.404,432 2.158,433 1.165,434 1.407,436 2.497,437 1.156,438 2.315,439 0.989,440 3.286,441 1.934,442 0.945,443 1.255,445 2.13,446 0.933,447 2.044,448 0.804,449 3.096,450 1.777,451 0.789,452 0.975,454 1.748,455 0.779,456 1.612,457 0.468,458 2.787,459 1.447,460 0.46,461 0.518,463 0.994,464 0.454,465 1.248,466 0.095,467 2.463,468 1.016,469 0.035,470 0.04,472 0.078,473 0.034,474 14.3,475 0.493,476 0.342,477 0.012,478 35.5,479 1.224,480 18,481 0.621,482 17.5,483 0.603,484 25.574,485 0.882,486 30.7,487 0.503,488 21.846,489 0.753,490 6.504,491 0.224,492 7.911,493 0.273,496 0.196,501 1.018,502 1.277,503 0.964,504 1.094,505 0.83,506 1.039,507 1.499,508 1.223,509 1.12,510 1.111,511 0.926,512 1.1,513 1.269,514 0.992,515 0.951,516 0.924,517 0.776,518 0.922,519 1.286,520 1.002,521 1.083,522 1.018,523 0.987,524 1.036,525 0.943,526 1.012,527 1.08,528 1.07,529 1.07,530 1.079,531 0.79,532 0.946,533 0.985,534 0.995,535 0.951,536 0.999,537 0.826,538 0.914,539 0.953,540 0.954,541 0.907,542 0.959,543 0.886,544 0.95,545 0.991,546 0.988,547 0.981,548 0.994,549 2.5,550 0.049,551 2.444,552 1.25,553 0.871,554 0.306,555 0.201,556 0.142,557 0.106,558 0.082,559 14700,560 26342,561 2.175,562 52.5,563 10,564 16,566 2,569 4,572 1.707,573 2.148,574 3.759,575 -0.922,582 71.393,583 1.17,584 2.635,585 3.473,586 4.259,587 4.595,588 4.685,589 3.099,590 3.755,591 4.84,592 3.999,593 1623.5,594 8.35,595 25350.1,600 361.775,601 0.736,602 4.835,603 0.078,604 0.003,605 0.06,606 0.03,607 0.025,608 0.011,609 0.009,610 0.006,611 0.005,612 0.004,613 0.23,614 0.5,615 0.88,617 154.605,618 0.143,619 -0.132,620 0.072,621 -0.028,622 0.199,623 0.01,624 -0.073,625 -0.115,626 -0.09,627 -0.104,628 0.047,629 -0.099,630 -0.002,631 0.029,632 0.051,633 0.049,634 0.154,635 0.052,636 -0.137,637 0.001,638 -0.09,639 -0.044,640 -0.046,641 -0.061,642 -0.095,643 -0.057,644 -0.11,645 -0.088,646 -0.151,647 -0.098,648 -0.015,649 -0.021,650 -0.024,651 -0.024,652 -0.088,653 -0.024,654 -0.007,655 0.018,656 0.011,657 0.017,658 -0.052,659 0.016,660 -0.032,661 -0.005,662 -0.023,663 -0.014,664 -0.102,665 -0.017,666 0.376,667 0.4,668 0.69,669 29.375,670 0.975,671 1.118,672 5.134,673 26.356,674 0.663,675 3.497,676 3.738,677 4.007,678 4.248,679 4.443,680 4.357,681 4.394,682 4.407,683 4.419,684 4.159,685 8.893,686 0.606,687 384.61,688 3.497,689 4.99,690 5.82,691 6.663,692 7.509,693 8.362,694 9.215,695 10.072,696 10.928,697 11.788,698 3.3,708 2,714 4,715 14,721 2,722 22,741 61,743 22,744 2,745 32,747 64,748 27,749 18,750 4,751 8,756 4,757 6,770 7,772 18,773 9,793 32,796 2,802 2,803 2,808 0.5,822 2,829 4,833 2,859 2,868 29,876 9,901 13.5,902 10.667,903 6.611,904 4.278,907 4.322,908 1.57,909 1.006,910 7.121,911 11.906,912 3.784,913 4.369,914 5.011,915 5.625,916 6.192,917 6.361,918 6.692,919 6.983,920 7.27,921 6.611,922 1,923 42,924 10.75,926 4.405,927 0.026,929 7.299,931 21.761,933 18.07,936 1.799,937 52.167,941 376.675,942 163.197,943 3.798,948 163.197,949 376.675,950 3.798,952 21.953,953 113.715,954 27.34,955 27.529,957 353.133,959 376.675,960 166.995,964 329.591,965 47.084,968 44.336,969 118.861,970 3.798,972 376.675,973 3.798,974 163.197,977 376.675,978 31.387,979 135.608,982 376.675,983 3.798,984 163.197,986 0.553,987 0.325,988 0.187,989 0.101,990 18,991 6,992 0.156,993 10,994 2,995 1.2,996 4.449,997 231.79,998 0.2,999 20,1000 108.881,1005 19.882,1006 10.387,1007 5.348,1008 5.361,1010 30.497,1016 4.799,1018 543.671,1019 43,1031 59.458,1032 68.225,1034 0.197,1035 0.444,1036 0.586,1037 0.718,1038 0.775,1039 0.79,1040 4.959,1041 1.549,1042 5.733,1043 3.705,1044 4.419,1045 5.056,1047 6.475,1048 4.371,1049 6.125,1050 1.285,1051 7.233,1052 3.2,1053 3.611,1054 4.691,1056 7.273,1057 3.483,1058 7.403,1059 1.269,1060 8.849,1061 2.861,1062 5.916,1063 7.314,1065 10.424,1066 5.802,1067 8.729,1068 1.165,1069 10.541,1070 2.808,1071 6.089,1072 7.942,1074 12.183,1075 5.887,1076 10.1,1077 0.945,1078 12.287,1079 2.497,1080 7.729,1081 9.929,1083 14.794,1084 7.538,1085 11.503,1086 0.789,1087 14.07,1088 2.13,1089 8.401,1090 11.026,1092 16.902,1093 8.135,1094 12.931,1095 0.46,1096 15.878,1097 1.748,1098 9.74,1099 12.736,1101 19.334,1102 9.47,1103 3.03,1104 0.035,1105 17.703,1106 0.994,1107 10.653,1108 14.049,1110 21.572,1111 10.323,1112 3.03,1113 10.194,1114 19.54,1115 0.078,1116 11.859,1117 15.636,1119 23.938,1120 11.513,1121 2.149,1122 10.194,1123 21.386,1124 4.43,1125 12.883,1126 17.046,1128 26.226,1129 12.486,1130 2.139,1131 6.251,1132 23.238,1133 4.43,1134 14.032,1135 18.58,1137 28.566,1138 13.611,1139 1.855,1140 6.251,1141 25.095,1142 2.908,1143 15.104,1144 20.033,1146 30.874,1147 14.639,1148 1.618,1149 3.885,1150 26.956,1151 2.908,1152 16.229,1153 21.541,1155 33.203,1156 15.735,1157 1.618,1158 3.83,1159 28.819,1160 2.427,1161 17.322,1162 23.014,1164 35.519,1165 16.787,1166 13532,1167 18216,1168 22.534,1169 40.432,1170 45.801,1171 45.917,1172 46.372,1173 45.928,1174 45.873,1175 62.145,1177 121.252,1178 44.879,1179 5.45,1180 5.069,1181 6.415,1182 5.031,1183 5.03,1184 7.43,1186 16.969,1187 4.924,1189 1.431,1190 1.435,1191 1.449,1192 1.435,1193 1.434,1194 1.942,1196 3.789,1197 1.402,1198 4.13,1199 4.168,1200 4.08,1201 4.042,1202 4.94,1203 4.047,1204 4.092,1205 4.127,1206 4.046,1207 4.007,1208 4.908,1209 4.012,1210 3.777,1211 3.839,1212 3.618,1213 3.665,1214 4.366,1215 3.645,1216 3.623,1217 3.688,1218 3.482,1219 3.495,1220 4.362,1221 3.482,1222 3.507,1223 3.566,1224 3.392,1225 3.388,1226 4.186,1227 3.382,1228 3.433,1229 3.489,1230 3.297,1231 3.332,1232 4.044,1233 3.317,1234 3.301,1235 3.369,1236 3.141,1237 3.17,1238 3.929,1239 3.153,1240 3.125,1241 3.2,1242 2.984,1243 2.968,1244 3.793,1245 2.963,1246 0.14,1247 0.096,1248 0.203,1249 0.125,1250 0.095,1251 4.493,1252 0.138,1253 3.069,1255 6.505,1256 0.319,1257 3.994,1258 0.091,1259 3.03,1260 4.43,1262 10.194,1263 2.924,1264 2.071,1265 2.041,1266 2.165,1267 2.181,1268 1.433,1269 2.178,1270 2.07,1271 2.04,1272 2.16,1273 2.179,1274 1.346,1275 2.176,1276 1.796,1277 1.736,1278 2.036,1279 1.944,1280 1.278,1281 1.979,1282 1.64,1283 1.577,1284 1.89,1285 1.802,1286 1.176,1287 1.835,1288 1.506,1289 1.452,1290 1.722,1291 1.666,1292 0.979,1293 1.689,1294 1.449,1295 1.398,1296 1.652,1297 1.59,1298 0.755,1299 1.615,1300 1.327,1301 1.26,1302 1.594,1303 1.493,1304 0.671,1305 1.531,1306 1.126,1307 1.053,1308 1.421,1309 1.331,1310 0.618,1311 1.365,1312 4.174,1314 5.434,1316 6.909,1318 8.494,1320 10.139,1328 11.51,1340 36.945,1341 71.393,1342 160.742,1343 211.843,1344 259.801,1345 280.265,1346 285.775,1347 35.847,1348 7.585,1349 7.76,1350 7.76,1351 24,1352 12.34,1353 4.524,1354 3.585,1355 45.421,1356 162,1357 105,1358 0.132,1359 227.432,1360 380.86,1361 546.694,1362 27616,1364 19.728,1365 0.68,1366 0.602,1367 19.728,1368 17.447,1369 14.416,1370 0.45,1371 0.355,1372 11.29,1373 14.216,1374 11.072,1375 9.265,1376 14.416,1377 11.35,1378 11.851,1379 0.289,1380 0.201,1381 11.851,1382 8.251,1383 10.096,1384 0.187,1385 0.114,1386 10.096,1387 6.152,1388 8.557,1389 0.124,1390 0.066,1391 8.557,1392 4.536,1393 7.001,1394 0.083,1395 0.039,1396 7.001,1397 3.235,1398 0.222,1399 87.645,1400 0.211,1401 28.89,1402 0.322,1403 146,1404 262.666,1405 150.829,1406 270.684,1407 391.16,1408 258,1409 168,1410 303.07,1411 173.995,1412 312.411,1413 453.98,1414 298,1415 7.097}
{0 CHEMBL105257,1 1.156,2 16.194,3 7.892,4 62.277,5 131.099,6 6.159,7 0.647,8 4.247,9 4.385,10 3.664,11 3.838,12 5.14,13 3.762,14 4.818,15 5.02,16 3.943,17 4.236,18 5.608,19 4.118,20 5.141,21 5.414,22 3.986,23 4.383,24 5.819,25 4.222,26 5.154,27 5.432,28 3.855,29 4.364,30 5.806,31 4.175,32 5.15,33 5.441,34 3.69,35 4.311,36 5.755,37 4.089,38 5.093,39 5.404,40 3.528,41 4.196,42 5.644,43 3.955,44 4.979,45 5.288,46 3.466,47 4.094,48 5.531,49 3.864,50 4.894,51 5.196,52 3.422,53 4.03,54 5.464,55 3.807,56 0.08,57 0.906,58 16.075,59 6.786,60 11.363,61 9.777,62 0.166,63 1.537,64 28.342,65 11.362,66 18.749,67 16.623,68 0.226,69 1.984,70 38.398,71 15.401,72 26,73 22.577,74 0.223,75 1.978,76 38.694,77 15.816,78 26.063,79 23.06,80 0.197,81 1.914,82 38.105,83 16.192,84 24.795,85 23.377,86 0.181,87 1.768,88 35.74,89 15.243,90 21.775,91 22.004,92 0.164,93 1.581,94 31.894,95 13.533,96 18.929,97 19.56,98 0.152,99 1.464,100 29.35,101 12.43,102 17.668,103 17.97,105 43,106 0.182,107 0.408,108 0.534,109 0.653,110 0.712,111 0.741,112 3.47,113 1.09,114 -6.76,115 -6.57,116 -6.09,121 43.3,123 9,127 2,144 12,145 2,147 2,148 2,176 20,187 19,189 8,200 16,203 8,214 17,216 4,227 18,229 2,239 17,241 2,251 16,253 2,264 15,266 2,277 14,279 2,281 1728,282 21.916,283 21.916,284 21.916,285 21.916,286 21.916,287 19.342,288 9.487,289 13.881,290 22.129,291 16.88,292 16.88,293 16.88,294 16.88,295 16.88,296 13.12,297 5,298 6.656,299 17.243,300 4.91,301 3.477,302 2.683,303 1.924,304 1.552,305 1.366,306 4.179,312 1,313 1106,314 3.742,318 379.625,322 322.312,325 2.485,326 6.743,329 0.75,330 0.67,331 0.67,332 0.7,333 0.5,334 0.67,335 0.5,336 0.64,337 63,338 502,339 4.493,340 3.069,341 6.505,342 3.994,343 3.03,344 4.43,346 10.194,347 2.924,348 4.493,349 3.069,350 6.505,351 3.994,352 3.03,353 4.43,355 10.194,356 2.924,357 3.515,358 2.226,359 5.203,360 3.109,361 2.147,362 2.908,364 6.251,365 2.061,366 3.514,367 2.224,368 5.203,369 3.102,370 2.142,371 2.908,373 6.251,374 2.049,375 3.118,376 1.905,377 4.18,378 2.896,379 1.901,380 2.427,382 3.902,383 1.887,384 3.118,385 1.674,386 4.179,387 2.668,388 1.674,389 2.427,391 3.837,392 1.663,393 2.926,394 1.618,395 3.923,396 2.614,397 1.618,398 1.937,400 3.762,401 1.612,402 2.781,403 1.618,404 3.736,405 2.614,406 1.618,407 1.908,409 3.406,410 1.612,411 2.771,412 1.386,413 3.606,414 2.373,415 1.379,416 1.897,418 2.937,419 1.37,420 2.716,421 1.28,422 3.586,423 2.266,424 1.275,425 1.731,427 2.835,428 1.262,429 2.498,430 1.261,431 3.482,432 2.252,433 1.261,434 1.498,436 2.73,437 1.248,438 2.376,439 1.098,440 3.346,441 2.059,442 1.067,443 1.337,445 2.327,446 1.057,447 2.232,448 0.94,449 3.225,450 1.891,451 0.903,452 1.171,454 2.026,455 0.891,456 1.919,457 0.738,458 3,459 1.721,460 0.732,461 0.857,463 1.589,464 0.723,465 1.538,466 0.416,467 2.709,468 1.393,469 0.405,470 0.447,472 0.868,473 0.399,474 15.3,475 0.494,476 0.342,477 0.011,478 36.5,479 1.177,480 18,481 0.581,482 18.5,483 0.597,484 29.202,485 0.942,486 33.3,487 0.497,488 22.209,489 0.716,490 6.504,491 0.21,492 8.911,493 0.287,496 0.183,501 1.03,502 1.29,503 0.997,504 1.121,505 0.834,506 1.069,507 1.483,508 1.24,509 1.142,510 1.139,511 0.92,512 1.127,513 1.24,514 0.988,515 0.947,516 0.925,517 0.761,518 0.923,519 1.258,520 0.997,521 1.067,522 1.01,523 0.961,524 1.026,525 0.932,526 1.007,527 1.064,528 1.057,529 1.039,530 1.065,531 0.786,532 0.946,533 0.977,534 0.99,535 0.923,536 0.992,537 0.814,538 0.916,539 0.947,540 0.952,541 0.874,542 0.955,543 0.863,544 0.946,545 0.98,546 0.981,547 0.935,548 0.985,549 2.5,550 0.066,551 2.444,552 1.25,553 0.871,554 0.306,555 0.201,556 0.142,557 0.106,558 0.082,559 18450,560 32220,561 2.163,562 53.7,563 14,564 16,566 2,569 4,572 1.723,573 2.138,574 3.898,575 -0.927,582 77.429,583 1.156,584 2.589,585 3.384,586 4.142,587 4.514,588 4.7,589 3.244,590 3.857,591 4.936,592 4.158,593 1933.44,594 8.535,595 32773.2,600 406.428,601 0.709,602 4.933,603 0.074,604 0.003,605 0.057,606 0.028,607 0.024,608 0.01,609 0.008,610 0.006,611 0.005,612 0.004,613 0.218,614 0.5,615 0.75,617 170.477,618 0.145,619 -0.123,620 0.069,621 -0.025,622 0.218,623 0.011,624 -0.066,625 -0.126,626 -0.096,627 -0.113,628 0.064,629 -0.107,630 0.012,631 0.029,632 0.057,633 0.051,634 0.169,635 0.055,636 -0.118,637 0.003,638 -0.073,639 -0.034,640 -0.021,641 -0.048,642 -0.084,643 -0.049,644 -0.095,645 -0.076,646 -0.126,647 -0.084,648 -0.013,649 -0.019,650 -0.02,651 -0.021,652 -0.074,653 -0.021,654 -0.003,655 0.017,656 0.012,657 0.016,658 -0.037,659 0.015,660 -0.023,661 -0.003,662 -0.015,663 -0.009,664 -0.075,665 -0.011,666 0.368,667 0.406,668 0.645,669 35.363,670 0.974,671 1.12,672 5.528,673 30.554,674 0.656,675 3.555,676 3.784,677 4.043,678 4.277,679 4.466,680 4.382,681 4.419,682 4.431,683 4.443,684 4.19,685 9.867,686 0.597,687 412.67,688 3.555,689 5.043,690 5.866,691 6.703,692 7.544,693 8.391,694 9.24,695 10.093,696 10.947,697 11.804,698 3,708 2,714 4,715 14,721 2,722 22,741 67,743 22,744 2,745 34,747 70,748 29,749 18,750 4,751 8,756 4,757 6,770 9,772 18,773 11,793 36,796 2,802 2,803 2,808 0.5,822 2,829 4,833 2,859 2,868 31,876 11,901 14.5,902 11.667,903 7.111,904 4.778,907 4.259,908 1.556,909 0.996,910 8.324,911 11.916,912 3.829,913 4.394,914 5.024,915 5.632,916 6.196,917 6.365,918 6.694,919 6.985,920 7.271,921 6.613,922 1,923 44,924 11.506,926 4.69,927 0.026,929 7.28,931 23.394,933 19.403,936 1.78,937 55.167,941 423.76,942 168.266,943 3.798,948 168.266,949 423.76,950 3.798,952 27.022,953 113.715,954 27.34,955 27.529,957 400.217,959 423.76,960 172.064,964 376.675,965 47.084,968 49.405,969 118.861,970 3.798,972 423.76,973 3.798,974 168.266,977 423.76,978 36.456,979 135.608,982 423.76,983 3.798,984 168.266,986 0.55,987 0.32,988 0.183,989 0.098,990 18,991 6,992 0.171,993 12,994 2,995 1.2,996 4.689,997 248.131,998 0.2,999 20,1000 119.58,1005 21.803,1006 11.836,1007 6.288,1008 5.381,1010 30.559,1016 4.812,1018 595.824,1019 45,1031 65.225,1032 75.055,1034 0.191,1035 0.427,1036 0.558,1037 0.683,1038 0.744,1039 0.775,1040 5.001,1041 1.618,1042 5.771,1043 3.762,1044 4.466,1045 5.081,1047 6.5,1048 4.42,1049 6.155,1050 1.379,1051 7.262,1052 3.406,1053 3.611,1054 4.691,1056 7.273,1057 3.483,1058 7.426,1059 1.275,1060 8.869,1061 2.937,1062 5.948,1063 7.322,1065 10.43,1066 5.838,1067 8.746,1068 1.261,1069 10.555,1070 2.835,1071 6.089,1072 7.942,1074 12.183,1075 5.887,1076 10.111,1077 1.067,1078 12.296,1079 2.73,1080 7.746,1081 9.931,1083 14.795,1084 7.56,1085 11.511,1086 0.903,1087 14.075,1088 2.327,1089 8.401,1090 11.026,1092 16.902,1093 8.135,1094 12.936,1095 0.732,1096 15.881,1097 2.026,1098 9.748,1099 12.736,1101 19.335,1102 9.481,1103 3.03,1104 0.405,1105 17.705,1106 1.589,1107 10.653,1108 14.049,1110 21.572,1111 10.323,1112 3.03,1113 10.194,1114 19.541,1115 0.868,1116 11.863,1117 15.636,1119 23.938,1120 11.518,1121 2.147,1122 10.194,1123 21.387,1124 4.43,1125 12.883,1126 17.046,1128 26.226,1129 12.486,1130 2.142,1131 6.251,1132 23.239,1133 4.43,1134 14.034,1135 18.58,1137 28.566,1138 13.613,1139 1.901,1140 6.251,1141 25.095,1142 2.908,1143 15.104,1144 20.033,1146 30.874,1147 14.639,1148 1.674,1149 3.902,1150 26.956,1151 2.908,1152 16.23,1153 21.541,1155 33.203,1156 15.736,1157 1.618,1158 3.837,1159 28.819,1160 2.427,1161 17.322,1162 23.014,1164 35.519,1165 16.787,1166 17014,1167 22602,1168 23.92,1169 43.955,1170 48.309,1171 48.46,1172 48.894,1173 48.482,1174 48.424,1175 64.696,1177 126.355,1178 47.43,1179 5.459,1180 5.069,1181 6.441,1182 5.031,1183 5.03,1184 7.43,1186 16.969,1187 4.924,1189 1.421,1190 1.425,1191 1.438,1192 1.426,1193 1.424,1194 1.903,1196 3.716,1197 1.395,1198 4.131,1199 4.169,1200 4.08,1201 4.043,1202 4.941,1203 4.047,1204 4.092,1205 4.128,1206 4.046,1207 4.007,1208 4.909,1209 4.012,1210 3.799,1211 3.861,1212 3.638,1213 3.687,1214 4.365,1215 3.667,1216 3.669,1217 3.734,1218 3.516,1219 3.546,1220 4.363,1221 3.529,1222 3.544,1223 3.607,1224 3.42,1225 3.415,1226 4.208,1227 3.408,1228 3.467,1229 3.524,1230 3.342,1231 3.359,1232 4.081,1233 3.349,1234 3.38,1235 3.443,1236 3.221,1237 3.269,1238 3.97,1239 3.249,1240 3.229,1241 3.303,1242 3.07,1243 3.08,1244 3.861,1245 3.067,1246 0.132,1247 0.09,1248 0.191,1249 0.117,1250 0.089,1251 4.493,1252 0.13,1253 3.069,1255 6.505,1256 0.3,1257 3.994,1258 0.086,1259 3.03,1260 4.43,1262 10.194,1263 2.924,1264 2.071,1265 2.041,1266 2.164,1267 2.18,1268 1.443,1269 2.177,1270 2.07,1271 2.04,1272 2.162,1273 2.179,1274 1.367,1275 2.176,1276 1.814,1277 1.754,1278 2.055,1279 1.963,1280 1.299,1281 1.998,1282 1.692,1283 1.63,1284 1.943,1285 1.85,1286 1.226,1287 1.885,1288 1.549,1289 1.488,1290 1.794,1291 1.717,1292 1.087,1293 1.746,1294 1.474,1295 1.424,1296 1.678,1297 1.624,1298 0.89,1299 1.647,1300 1.408,1301 1.35,1302 1.635,1303 1.555,1304 0.717,1305 1.587,1306 1.248,1307 1.175,1308 1.545,1309 1.436,1310 0.663,1311 1.477,1312 4.234,1314 5.485,1316 6.948,1318 8.522,1320 10.158,1328 14.415,1340 39.998,1341 77.429,1342 173.469,1343 226.698,1344 277.515,1345 302.454,1346 314.918,1347 41.072,1348 7.658,1349 7.76,1350 7.76,1351 24,1352 12.357,1353 4.524,1354 3.585,1355 50.279,1356 192,1357 124,1358 0.121,1359 246.617,1360 415.46,1361 593.505,1362 31736,1364 21.142,1365 0.682,1366 0.608,1367 21.142,1368 18.861,1369 15.416,1370 0.453,1371 0.363,1372 12.29,1373 15.216,1374 12.052,1375 10.098,1376 15.416,1377 12.35,1378 12.558,1379 0.292,1380 0.208,1381 12.558,1382 8.959,1383 10.596,1384 0.189,1385 0.119,1386 10.596,1387 6.652,1388 8.911,1389 0.126,1390 0.069,1391 8.911,1392 4.889,1393 7.251,1394 0.084,1395 0.041,1396 7.251,1397 3.485,1398 0.208,1399 93.645,1400 0.204,1401 30.82,1402 0.293,1403 154,1404 270.666,1405 158.829,1406 279.007,1407 402.68,1408 266,1409 176,1410 311.07,1411 181.995,1412 320.734,1413 465.5,1414 306,1415 8}
{0 CHEMBL105742,1 1.18,2 12.667,3 4.305,4 18.536,5 89.741,6 5.806,7 0.545,8 3.919,9 4.07,10 3.272,11 3.447,12 4.787,13 3.365,14 4.487,15 4.712,16 3.462,17 3.812,18 5.235,19 3.674,20 4.792,21 5.091,22 3.382,23 3.922,24 5.396,25 3.717,26 4.759,27 5.073,28 3.176,29 3.837,30 5.3,31 3.598,32 4.68,33 5,34 3.102,35 3.752,36 5.209,37 3.513,38 4.6,39 4.918,40 3.039,41 3.677,42 5.14,43 3.441,44 4.513,45 4.829,46 2.971,47 3.595,48 5.066,49 3.363,50 4.417,51 4.731,52 2.899,53 3.506,54 4.985,55 3.279,56 0.065,57 0.68,58 12.163,59 4.779,60 8.932,61 7.146,62 0.14,63 1.084,64 20.706,65 7.609,66 14.255,67 11.641,68 0.167,69 1.29,70 26.327,71 10.147,72 17.324,73 15.246,74 0.147,75 1.196,76 24.913,77 9.981,78 14.882,79 14.785,80 0.129,81 1.094,82 22.863,83 9.288,84 13.405,85 13.694,86 0.121,87 1.013,88 21.133,89 8.532,90 12.705,91 12.607,92 0.113,93 0.932,94 19.403,95 7.776,96 12.005,97 11.52,98 0.105,99 0.851,100 17.674,101 7.02,102 11.304,103 10.434,105 25,106 0.203,107 0.421,108 0.544,109 0.623,110 0.666,111 0.686,112 3.099,113 1.163,114 -4.57,115 -4.49,116 -4.23,121 38.8,123 7,127 2,144 6,147 4,176 10,187 7,189 6,200 4,203 4,214 7,216 2,227 8,229 2,239 7,241 2,251 6,253 2,264 6,266 2,277 6,281 630,282 14.778,283 14.778,284 14.778,285 14.778,286 14.778,287 13.276,288 9.487,289 9.805,290 15.01,291 10.949,292 10.949,293 10.949,294 10.949,295 10.949,296 8.862,297 5,298 4.79,299 11.322,300 4.435,301 3.172,302 2.458,303 1.999,304 1.745,305 1.633,306 3.775,311 1,312 1,313 558,314 3.162,318 168.508,325 2.095,326 3.442,328 1,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 43,338 266,339 3.897,340 2.629,341 5.34,342 3.452,343 2.523,344 3.444,346 6.965,347 2.345,348 3.896,349 2.628,350 5.34,351 3.45,352 2.521,353 3.444,355 6.965,356 2.342,357 2.984,358 1.889,359 3.908,360 2.886,361 1.888,362 2.125,364 3.798,365 1.885,366 2.953,367 1.677,368 3.729,369 2.652,370 1.656,371 2.117,373 3.38,374 1.648,375 2.828,376 1.556,377 3.618,378 2.499,379 1.513,380 1.856,382 3.144,383 1.49,384 2.527,385 1.385,386 3.458,387 2.345,388 1.362,389 1.528,391 2.84,392 1.336,393 2.5,394 1,395 3.247,396 1.987,397 1,398 1.5,400 2.136,401 0.986,402 2.5,403 1,404 3.247,405 1.984,406 1,407 1.5,409 2.136,410 0.983,411 2.095,412 1,413 3.128,414 1.984,415 1,416 1.073,418 2.083,419 0.983,420 1.598,421 0.526,422 2.737,423 1.492,424 0.507,425 0.542,427 1.073,428 0.499,429 1.128,430 0.067,431 2.322,432 0.978,438 0.804,439 -0.333,440 1.858,441 0.549,442 -0.427,443 -0.482,445 -0.926,446 -0.416,447 0.564,448 -0.682,449 1.555,450 0.262,451 -0.727,452 -0.864,454 -1.513,455 -0.717,456 0.5,457 -1,458 1.555,459 -0.008,460 -1,461 -1.191,463 -2.058,464 -0.946,465 0.5,466 -1,467 1.382,468 -0.049,469 -1,470 -1.5,472 -2.347,473 -0.946,474 10.3,475 0.49,476 0.137,477 0.007,478 22.5,479 1.071,480 10,481 0.476,482 12.5,483 0.595,484 17.789,485 0.847,486 23.9,487 0.488,488 11.613,489 0.553,490 4.053,491 0.193,492 6.396,493 0.305,496 0.078,501 1.074,502 1.52,503 1.085,504 1.281,505 0.828,506 1.2,507 1.674,508 1.296,509 1.269,510 1.212,511 1.028,512 1.216,513 1.154,514 0.988,515 1.027,516 0.988,517 0.931,518 0.998,519 0.925,520 0.946,521 1.008,522 0.994,523 0.92,524 1.004,525 0.779,526 0.914,527 0.939,528 0.955,529 0.835,530 0.956,531 0.818,532 0.92,533 0.946,534 0.956,535 0.881,536 0.958,537 0.864,538 0.927,539 0.955,540 0.958,541 0.935,542 0.961,543 0.92,544 0.935,545 0.965,546 0.959,547 1,548 0.964,549 1.5,550 0.008,551 0.667,552 0.25,553 0.222,554 0.125,555 0.08,556 0.056,557 0.041,558 0.031,559 5878,560 10048,561 2.079,562 57.1,563 10,564 10,566 4,569 4,572 1.616,573 2.066,574 3.64,575 -0.891,577 1,582 57.804,583 1.18,584 2.442,585 3.157,586 3.615,587 3.87,588 3.982,589 3.059,590 3.059,591 4.369,592 3.816,593 801.45,594 7.401,595 9946.75,597 1,599 1,600 275.121,601 0.454,602 4.38,603 0.068,604 0.001,605 0.027,606 0.011,607 0.013,608 0.008,609 0.005,610 0.004,611 0.003,612 0.003,613 0.143,614 0.67,615 1,617 101.546,618 0.157,619 -0.244,620 0.057,621 -0.094,622 0.28,623 -0.036,624 -0.171,625 -0.133,626 -0.18,627 -0.161,628 0.001,629 -0.169,630 -0.076,631 -0.003,632 -0.042,633 -0.019,634 -0.022,635 -0.027,636 -0.065,637 -0.01,638 -0.056,639 -0.034,640 -0.093,641 -0.042,642 -0.008,643 0.004,644 0.002,645 0.004,646 -0.03,647 0.004,648 -0.014,649 0.003,650 -0.001,651 0.003,652 -0.047,653 0.002,654 -0.021,655 0.003,656 -0.005,657 0.001,658 -0.067,659 -0.001,660 -0.03,661 0.003,662 -0.01,663 -0.001,664 -0.09,665 -0.004,666 0.342,667 0.275,668 0.571,669 20.952,670 0.973,671 1.13,672 3.34,673 11.157,674 0.631,675 3.135,676 3.258,677 3.367,678 3.466,679 3.555,680 3.258,681 3.219,682 3.178,683 3.135,684 3.091,685 7.618,686 0.569,687 284.49,688 3.135,689 4.554,690 5.303,691 6.066,692 6.825,693 7.593,694 8.356,695 9.126,696 9.891,697 10.662,698 4.1,708 2,715 10,721 2,722 12,741 49,743 12,745 22,747 50,748 19,749 10,756 2,757 2,770 7,772 10,773 9,790 1,793 28,796 2,802 2,803 2,808 1,822 2,829 2,859 2,868 21,876 9,901 10.167,902 8.333,903 5,904 3.472,907 1.81,908 1.298,909 0.946,910 7.898,911 7.89,912 3.367,913 3.761,914 4.167,915 4.577,916 4.99,917 4.444,918 4.432,919 4.42,920 4.408,921 4.396,922 1,923 22,924 7.79,926 3.02,927 0.026,929 7.286,931 15.834,933 12.488,936 1.786,937 37.5,938 0.003,940 1,941 329.591,942 115,943 3.798,948 115,949 329.591,950 3.798,952 21.953,953 56.857,954 50.883,955 36.19,957 282.506,959 329.591,960 118.798,964 282.506,965 47.084,968 58.143,969 56.857,970 3.798,972 329.591,973 3.798,974 115,977 329.591,978 21.953,979 96.845,982 329.591,983 3.798,984 115,986 0.529,987 0.283,988 0.149,989 0.078,990 8,991 2,992 0.2,993 10,995 1,996 3.77,997 129.089,999 12,1000 64.239,1005 16.002,1006 10.365,1007 7.261,1010 21.171,1016 4.55,1018 448.389,1019 28,1031 47.69,1032 55.394,1034 0.21,1035 0.435,1036 0.562,1037 0.644,1038 0.689,1039 0.709,1040 4.477,1041 1,1042 5.13,1043 2.136,1044 3.932,1045 4.443,1047 5.652,1048 3.861,1049 5.543,1050 1,1051 6.488,1052 2.136,1053 2.565,1054 3.332,1056 5.784,1057 2.277,1058 6.721,1059 0.507,1060 7.938,1061 2.083,1062 5.231,1063 6.369,1065 8.932,1066 5.056,1067 7.934,1069 9.451,1070 1.073,1071 4.796,1072 6.184,1074 10.098,1075 4.328,1076 9.183,1077 -0.427,1078 11.01,1080 6.758,1081 8.578,1083 12.549,1084 6.449,1085 10.459,1086 -0.727,1087 12.604,1088 -0.926,1089 6.86,1090 8.872,1092 14.147,1093 6.253,1094 11.756,1095 -1,1096 14.222,1097 -1.513,1098 8.41,1099 10.911,1101 16.315,1102 7.948,1103 2.523,1104 -1,1105 15.858,1106 -2.058,1107 8.832,1108 11.483,1110 18.101,1111 8.095,1112 2.521,1113 6.965,1114 17.506,1115 -2.347,1116 10.137,1117 13.299,1119 20.145,1120 9.511,1121 1.888,1122 6.965,1123 19.162,1124 3.444,1125 10.755,1126 14.05,1128 22.016,1129 9.887,1130 1.656,1131 3.798,1132 20.824,1133 3.444,1134 11.911,1135 15.713,1137 24.004,1138 11.118,1139 1.513,1140 3.38,1141 22.491,1142 2.125,1143 12.649,1144 16.588,1146 25.912,1147 11.648,1148 1.362,1149 3.144,1150 24.16,1151 2.117,1152 13.715,1153 18.144,1155 27.875,1156 12.756,1157 1,1158 2.84,1159 25.831,1160 1.856,1161 14.525,1162 19.109,1164 29.801,1165 13.39,1166 5722,1167 7536,1168 15.367,1169 30.91,1170 30.101,1171 29.909,1172 30.149,1173 30.018,1174 29.941,1175 38.259,1177 69.039,1178 28.99,1179 4.851,1180 4.629,1181 5.25,1182 4.487,1183 4.523,1184 6.444,1186 11.754,1187 4.291,1189 1.368,1190 1.36,1191 1.37,1192 1.364,1193 1.361,1194 1.739,1196 3.138,1197 1.318,1198 3.977,1199 4.035,1200 3.893,1201 3.837,1202 4.813,1203 3.843,1204 3.936,1205 3.992,1206 3.86,1207 3.796,1208 4.789,1209 3.804,1210 3.744,1211 3.807,1212 3.586,1213 3.631,1214 4.192,1215 3.612,1216 3.55,1217 3.618,1218 3.376,1219 3.428,1220 4.029,1221 3.406,1222 3.313,1223 3.392,1224 3.128,1225 3.162,1226 3.856,1227 3.143,1228 3.066,1229 3.156,1230 2.881,1231 2.873,1232 3.674,1233 2.862,1234 2.854,1235 2.939,1236 2.687,1237 2.735,1238 3.674,1239 2.715,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.664,1245 2.715,1246 0.177,1247 0.119,1248 0.243,1249 0.157,1250 0.115,1251 3.897,1252 0.157,1253 2.629,1255 5.34,1256 0.317,1257 3.452,1258 0.107,1259 2.523,1260 3.444,1262 6.965,1263 2.345,1264 1.913,1265 1.861,1266 2.088,1267 2.079,1268 1.425,1269 2.082,1270 1.901,1271 1.851,1272 2.049,1273 2.069,1274 1.29,1275 2.067,1276 1.764,1277 1.706,1278 1.977,1279 1.915,1280 1.128,1281 1.945,1282 1.581,1283 1.516,1284 1.84,1285 1.741,1286 1.008,1287 1.779,1288 1.339,1289 1.263,1290 1.641,1291 1.531,1292 0.877,1293 1.573,1294 1.075,1295 0.986,1296 1.412,1297 1.309,1298 0.662,1299 1.349,1300 0.886,1301 0.821,1302 1.194,1303 1.102,1304 0.414,1305 1.139,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 3.807,1314 4.977,1316 6.33,1318 7.763,1320 9.236,1328 11.779,1340 27.891,1341 57.804,1342 119.682,1343 154.698,1344 177.147,1345 189.611,1346 195.121,1347 27.911,1348 6.08,1349 7.76,1350 7.76,1351 12,1352 11.285,1353 3.7,1354 2.807,1355 39.984,1356 98,1357 70,1358 0.189,1359 177.19,1360 299.54,1361 424.103,1362 3700,1364 14.59,1365 0.695,1366 0.626,1367 14.59,1368 13.137,1369 10.449,1370 0.475,1371 0.388,1372 8.466,1373 10.236,1374 8.316,1375 7.023,1376 10.449,1377 8.528,1378 8.06,1379 0.322,1380 0.238,1381 8.06,1382 5.946,1383 6.174,1384 0.221,1385 0.147,1386 6.174,1387 4.117,1388 4.702,1389 0.152,1390 0.091,1391 4.702,1392 2.831,1393 3.562,1394 0.105,1395 0.057,1396 3.562,1397 1.936,1398 0.322,1399 63.922,1400 0.255,1401 22.37,1402 0.456,1403 94,1404 162.666,1405 98.163,1406 166.299,1407 232.44,1408 158,1409 100,1410 172.507,1411 104.996,1412 177.071,1413 248.16,1414 168,1415 5.699}
{0 CHEMBL105874,1 1.568,2 13.207,3 3.418,4 11.682,5 110.099,6 7.567,7 0.375,8 4.052,9 4.164,10 3.634,11 3.6,12 5.172,13 3.58,14 4.626,15 4.792,16 4.001,17 4.032,18 5.789,19 3.987,20 4.933,21 5.145,22 4.067,23 4.188,24 5.974,25 4.109,26 5.054,27 5.299,28 3.948,29 4.121,30 6.168,31 4.017,32 4.916,33 5.172,34 3.833,35 3.992,36 5.924,37 3.895,38 4.799,39 5.021,40 3.853,41 3.965,42 6.039,43 3.873,44 4.782,45 5.011,46 3.687,47 3.901,48 5.988,49 3.784,50 4.643,51 4.883,52 3.459,53 3.733,54 5.676,55 3.609,56 0.126,57 0.758,58 10.182,59 4.824,60 10.298,61 6.243,62 0.357,63 1.271,64 20.285,65 8.208,66 48.804,67 11.037,68 0.265,69 1.595,70 29.782,71 11.618,72 44.481,73 15.943,74 0.636,75 1.644,76 37.169,77 12.468,78 121.505,79 17.381,80 0.583,81 1.44,82 32.867,83 10.721,84 87.118,85 15.052,86 0.661,87 1.309,88 27.624,89 9.962,90 105.068,91 13.694,92 0.564,93 1.235,94 27.772,95 10.09,96 126.65,97 13.735,98 0.527,99 1.08,100 24.729,101 8.307,102 80.407,103 11.385,104 18,105 45,106 0.26,107 0.55,108 0.696,109 0.792,110 0.825,111 0.832,112 3.408,113 0.932,114 -4.83,115 -4.74,116 -4.45,121 42.3,123 3,124 1,127 4,144 8,145 3,146 1,160 2,168 2,176 13,179 3,180 10,187 13,192 16,200 5,205 1,206 16,214 4,218 2,219 6,227 9,231 6,232 4,239 14,243 2,244 1,251 11,255 2,256 6,264 5,269 8,277 1,281 1358,282 19.568,283 19.568,284 19.568,285 19.568,286 19.568,287 17.655,288 23.355,289 11.469,290 19.795,291 15.763,292 15.763,293 15.763,294 15.763,295 15.763,296 12.803,297 26.028,298 5.451,299 16.079,300 4.133,301 2.387,302 1.51,303 0.928,304 0.731,305 0.692,306 4.104,311 1,312 1,313 833,314 3.24,317 68.22,318 289.481,321 129.99,325 2.021,326 39.685,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 63.5,338 383,339 4.615,340 3.958,341 6.972,342 4.307,343 3.317,344 4.242,345 2.612,346 11.73,347 3.278,348 4.16,349 3.773,350 5.964,351 3.696,352 2.731,353 3.721,354 1.349,355 8.332,356 2.639,357 3.941,358 3.256,359 5.636,360 3.66,361 2.694,362 3.457,363 0.916,364 7.79,365 2.599,366 3.615,367 3.018,368 5.603,369 3.469,370 2.472,371 2.728,372 0.8,373 7.118,374 2.465,375 3.458,376 2.573,377 5.479,378 3.11,379 2.147,380 2.643,381 0.172,382 6.809,383 2.098,384 3.424,385 2.467,386 5.321,387 3.052,388 2.033,389 2.608,391 6.383,392 2.03,393 3.164,394 2.243,395 4.952,396 2.963,397 1.99,398 2.236,400 5.851,401 1.916,402 2.868,403 1.859,404 3.827,405 2.418,406 1.423,407 1.958,409 3.049,410 1.415,411 2.815,412 1.725,413 3.707,414 2.252,415 1.256,416 1.895,418 2.967,419 1.249,420 2.502,421 1.514,422 3.599,423 2,424 1,425 1.5,427 2.343,428 1,429 2.5,430 1.271,431 3.49,432 1.984,433 1,434 1.414,436 2.275,437 0.983,438 2.135,439 1.077,440 3.414,441 1.947,442 0.921,443 1,445 2.136,446 0.94,447 2,448 1,449 3.247,450 1.864,451 0.855,452 0.984,454 2.067,455 0.857,456 1.435,457 1,458 2.921,459 1.202,460 0.199,461 0.228,463 0.496,464 0.197,465 1.118,466 0.668,467 2.677,468 0.875,469 -0.14,470 -0.168,472 -0.348,473 -0.141,474 13.533,475 0.467,476 0.733,477 0.025,478 36.75,479 1.267,480 18,481 0.621,482 18.75,483 0.647,484 24.262,485 0.837,486 31.467,487 0.605,488 27.802,489 0.959,490 7.053,491 0.243,492 6.972,493 0.24,494 0.099,496 0.347,501 0.422,502 1.277,503 0.721,504 1.075,505 0.45,506 0.98,507 0.535,508 1.095,509 0.868,510 1.017,511 0.399,512 0.997,513 0.663,514 1.174,515 0.903,516 1.171,517 0.538,518 1.092,519 0.945,520 1.043,521 0.988,522 1.025,523 0.883,524 1.017,525 0.954,526 0.833,527 0.917,528 0.846,529 0.937,530 0.866,531 0.629,532 0.901,533 0.938,534 1.028,535 0.696,536 1.041,537 0.824,538 1.024,539 1.021,540 1.094,541 0.88,542 1.105,543 1.073,544 0.913,545 1.145,546 0.956,547 1.16,548 1.055,549 5.5,550 0.153,551 3.333,552 2.486,553 1.347,554 0.983,555 0.763,556 0.342,557 0.175,558 0.191,559 12161,560 34205,561 2.09,562 44.2,563 1,564 16,569 6,572 1.713,573 1.955,574 3.645,575 -0.751,577 1,582 81.519,583 1.568,584 3.314,585 4.19,586 4.772,587 4.97,588 5.008,589 3.129,590 4.444,591 4.827,592 3.844,593 1560.79,594 8.375,595 21959.1,597 1,599 1,600 296.423,601 1.416,602 4.788,603 0.172,604 0.007,605 0.074,606 0.054,607 0.035,608 0.028,609 0.022,610 0.012,611 0.008,612 0.009,613 0.421,614 0.17,615 1,616 0.729,617 150.12,618 0.158,619 -0.076,620 0.066,621 -0.002,622 0.029,623 0.001,624 0.137,625 0.042,626 -0.006,627 0.003,628 0.152,629 -0.022,630 0.01,631 -0.154,632 0.014,633 -0.156,634 0.073,635 -0.08,636 -0.006,637 -0.11,638 0.02,639 -0.057,640 0.05,641 -0.02,642 -0.026,643 0.11,644 0.101,645 0.11,646 -0.05,647 0.129,648 0.268,649 0.077,650 0.035,651 -0.04,652 0.186,653 -0.047,654 0.106,655 -0.11,656 -0.033,657 -0.091,658 0.109,659 -0.091,660 -0.077,661 0.02,662 -0.135,663 0.014,664 -0.152,665 -0.065,666 2.552,667 5.584,668 0.724,669 32.131,670 1.009,671 1.125,672 3.604,673 12.988,674 0.662,675 3.497,676 3.829,677 4.111,678 4.357,679 4.585,680 4.635,681 4.762,682 4.844,683 4.852,684 4.852,685 7.626,686 0.638,687 393.48,688 3.497,689 5.043,690 5.9,691 6.779,692 7.654,693 8.54,694 9.425,695 10.317,696 11.207,697 12.104,698 5.8,701 1,705 1,709 1,715 8,720 4,722 12,735 1,741 52,743 16,744 2,745 32,747 55,748 22,749 12,750 4,751 8,752 2,756 4,757 5,767 2,768 1,770 3,772 14,773 8,774 1,777 4,779 1,782 4,786 2,790 1,793 23,794 6,796 7,802 3,805 1,808 0.75,809 4,828 1,829 3,832 1,855 1,859 3,868 29,876 7,880 1,881 2,893 7.7,896 2,899 2,901 14.833,902 9.267,903 6.333,904 3.318,907 2.289,908 1.295,909 0.976,910 5.636,911 10.045,912 3.761,913 4.304,914 4.812,915 5.301,916 5.788,917 5.969,918 6.288,919 6.323,920 6.382,921 6.247,922 0.889,923 46,924 10.84,926 4.801,927 0.026,929 7.977,931 20.519,933 17.413,936 2.477,937 71.833,939 1,940 1,941 270.735,942 113.559,943 11.919,945 101.037,948 113.559,949 371.772,950 11.919,951 5.67,952 19.151,953 75.81,954 59.699,955 15.438,957 270.735,958 50.747,959 270.735,960 125.478,961 101.037,964 200.109,965 120.916,966 50.747,968 22.275,969 97.533,970 5.67,972 270.735,973 112.955,974 113.559,977 270.735,978 37.749,979 87.729,981 101.037,982 270.735,983 112.955,984 113.559,986 0.586,987 0.344,988 0.18,989 0.099,990 22,991 10,992 0.109,993 6,994 1,995 1.095,996 4.153,997 250.374,998 0.095,999 21,1000 130.881,1005 19.596,1006 8.34,1007 4.178,1009 107.285,1010 14.269,1015 1.545,1018 497.25,1019 42,1021 -0.552,1024 47,1028 -0.767,1031 52.451,1032 58.485,1034 0.275,1035 0.581,1036 0.735,1037 0.837,1038 0.872,1039 0.879,1040 5.011,1041 1.423,1042 5.889,1043 5.851,1044 4.511,1045 4.99,1046 2.918,1047 6.706,1048 4.476,1049 6.197,1050 1.256,1051 7.455,1052 3.049,1053 4.111,1054 4.796,1055 2.431,1056 7.624,1057 4.052,1058 7.498,1059 1,1060 9.123,1061 2.967,1062 6.111,1063 7.095,1064 4.267,1065 10.739,1066 6.035,1067 8.831,1068 1,1069 10.85,1070 2.343,1071 6.538,1072 7.727,1073 4.528,1074 12.526,1075 6.443,1076 10.199,1077 0.921,1078 12.617,1079 2.275,1080 8.015,1081 9.525,1082 5.975,1083 15.183,1084 7.903,1085 11.591,1086 0.855,1087 14.411,1088 2.136,1089 8.832,1090 10.543,1091 6.562,1092 17.36,1093 8.707,1094 13.005,1095 0.199,1096 16.228,1097 2.067,1098 10.106,1099 12.14,1100 7.801,1101 19.876,1102 9.968,1103 3.317,1104 -0.14,1105 18.063,1106 0.496,1107 11.115,1108 13.35,1109 8.55,1110 22.224,1111 10.966,1112 2.731,1113 11.73,1114 19.914,1115 -0.348,1116 12.317,1117 14.857,1118 9.672,1119 24.699,1120 12.156,1121 2.694,1122 8.332,1123 21.777,1124 4.242,1125 13.417,1126 16.167,1127 10.509,1128 27.116,1129 13.249,1130 2.472,1131 7.79,1132 23.652,1133 3.721,1134 14.599,1135 17.632,1136 11.564,1137 29.58,1138 14.42,1139 2.147,1140 7.118,1141 25.537,1142 3.457,1143 15.745,1144 18.998,1145 12.452,1146 32.024,1147 15.558,1148 2.033,1149 6.809,1150 27.431,1151 2.728,1152 16.924,1153 20.444,1154 13.468,1155 34.485,1156 16.728,1157 1.99,1158 6.383,1159 29.333,1160 2.643,1161 18.093,1162 21.84,1163 14.386,1164 36.94,1165 17.888,1166 11485,1167 19568,1168 21.383,1169 34.449,1170 48.513,1171 51.293,1172 49.516,1173 48.109,1174 48.081,1175 61.23,1176 11.7,1177 138.691,1178 47.331,1179 5.615,1180 5.958,1181 6.774,1182 5.342,1183 5.317,1184 7.242,1185 4.612,1186 18.926,1187 5.278,1188 14.168,1189 1.516,1190 1.603,1191 1.547,1192 1.503,1193 1.503,1194 1.913,1195 0.366,1196 4.334,1197 1.479,1198 4.07,1199 4.093,1200 4.041,1201 3.952,1202 7.815,1203 3.967,1204 3.949,1205 3.992,1206 3.864,1207 3.864,1208 7.446,1209 3.858,1210 3.826,1211 3.872,1212 3.725,1213 3.719,1214 7.408,1215 3.709,1216 3.678,1217 3.708,1218 3.649,1219 3.374,1220 6.999,1221 3.421,1222 3.413,1223 3.474,1224 3.293,1225 3.169,1226 4.757,1227 3.194,1228 3.205,1229 3.26,1230 3.108,1231 2.967,1232 4.618,1233 2.986,1234 3.111,1235 3.206,1236 2.956,1237 2.941,1238 4.323,1239 2.91,1240 3.044,1241 3.096,1242 2.866,1243 2.875,1244 3.98,1245 2.882,1246 0.144,1247 0.124,1248 0.218,1249 0.135,1250 0.104,1251 4.615,1252 0.133,1253 3.958,1254 0.082,1255 6.972,1256 0.367,1257 4.307,1258 0.102,1259 3.317,1260 4.242,1261 2.612,1262 11.73,1263 3.278,1264 1.934,1265 1.896,1266 2.1,1267 2.072,1268 1.482,1269 2.082,1270 1.913,1271 1.896,1272 2.013,1273 2.068,1274 1.165,1275 2.028,1276 1.84,1277 1.79,1278 1.983,1279 1.956,1280 1.104,1281 1.977,1282 1.521,1283 1.462,1284 1.737,1285 1.768,1286 1.011,1287 1.754,1288 1.258,1289 1.23,1290 1.513,1291 1.661,1292 0.825,1293 1.549,1294 1.219,1295 1.183,1296 1.465,1297 1.477,1298 0.691,1299 1.467,1300 1.153,1301 1.064,1302 1.296,1303 1.376,1304 0.439,1305 1.429,1306 1.051,1307 0.995,1308 1.228,1309 1.265,1310 0.266,1311 1.283,1312 4.174,1314 5.501,1315 2.398,1316 7.022,1317 4.949,1318 8.626,1319 7.195,1320 10.274,1328 6.186,1332 0.473,1333 3.678,1340 33.191,1341 81.519,1342 172.31,1343 217.894,1344 248.158,1345 258.423,1346 260.423,1347 68.809,1348 7.756,1349 88.13,1350 88.13,1351 23,1352 12.63,1353 4.087,1354 3.459,1355 45.087,1356 134,1357 132,1358 0.164,1359 202.25,1360 362.32,1361 485.249,1362 27072,1364 20.38,1365 0.703,1366 0.556,1367 20.38,1368 16.121,1369 14.025,1370 0.438,1371 0.311,1372 9.807,1373 13.453,1374 9.639,1375 7.933,1376 14.025,1377 9.936,1378 12.731,1379 0.283,1380 0.172,1381 12.731,1382 7.743,1383 10.906,1384 0.182,1385 0.098,1386 10.906,1387 5.882,1388 8.844,1389 0.115,1390 0.054,1391 8.844,1392 4.182,1393 7.152,1394 0.074,1395 0.032,1396 7.152,1397 3.079,1398 0.265,1399 88.353,1400 0.216,1401 28.087,1402 0.428,1403 154,1404 481.877,1405 169.435,1406 459.926,1407 608.98,1408 424,1409 182,1410 439.271,1411 198.299,1412 438.655,1413 640.09,1414 411,1415 7.903}
{0 CHEMBL106082,1 1.794,2 14.371,3 4.814,4 23.175,5 137.767,6 8.417,7 0.459,8 4.182,9 4.292,10 3.87,11 3.7,12 5.44,13 3.682,14 4.678,15 4.833,16 4.175,17 4.068,18 6.002,19 4.03,20 4.883,21 5.054,22 4.258,23 4.179,24 6.049,25 4.127,26 5.044,27 5.27,28 4.29,29 4.202,30 6.269,31 4.134,32 4.959,33 5.141,34 4.247,35 4.155,36 6.226,37 4.111,38 4.974,39 5.16,40 4.312,41 4.16,42 6.486,43 4.098,44 4.894,45 5.08,46 4.256,47 4.086,48 6.21,49 4.028,50 4.865,51 5.078,52 4.076,53 3.987,54 6.223,55 3.922,56 0.284,57 0.904,58 10.46,59 5.126,60 10.687,61 6.108,62 0.533,63 1.377,64 24.236,65 8.991,66 79.518,67 10.536,68 0.594,69 1.627,70 28.803,71 10.537,72 43.166,73 12.832,74 0.873,75 1.756,76 38.083,77 12.481,78 93.969,79 16.172,80 0.994,81 1.594,82 32.275,83 10.818,84 107.188,85 12.595,86 1.168,87 1.64,88 35.86,89 11.31,90 180.752,91 14.025,92 0.737,93 1.527,94 33.013,95 10.62,96 101.784,97 12.285,98 0.805,99 1.433,100 37.674,101 10.689,102 136.945,103 12.669,104 67,105 50,106 0.288,107 0.593,108 0.76,109 0.83,110 0.852,111 0.863,112 3.588,113 0.949,114 -3.59,115 -3.56,116 -3.39,121 39,126 2,127 4,144 8,145 1,146 5,154 2,160 1,168 4,176 5,179 2,180 5,185 4,187 4,191 1,192 9,195 2,197 5,200 4,205 1,206 7,209 5,210 1,211 1,214 3,218 4,219 3,222 2,227 5,231 4,232 9,235 5,237 3,239 4,243 1,244 10,249 4,251 1,255 2,256 10,259 1,261 1,264 1,268 2,269 9,272 1,277 4,281 2678,282 23.214,283 23.214,284 23.214,285 23.214,286 23.214,287 20.445,288 34.969,289 13.908,290 23.769,291 18.222,292 18.222,293 18.222,294 18.222,295 18.222,296 13.947,297 53.465,298 6.528,299 19.07,300 4.088,301 2.185,302 1.144,303 0.704,304 0.568,305 0.5,306 4.267,312 1,313 1046,314 4.583,317 118.375,318 264.56,325 2.039,326 49.585,329 0.75,330 0.5,331 0.67,332 0.7,334 0.5,336 0.45,337 78,338 503,339 4.553,340 4.25,341 6.598,342 4.114,343 3.145,344 4.319,345 3.272,346 10.507,347 3.046,348 4.263,349 4.07,350 6.237,351 3.823,352 2.845,353 3.874,354 2.612,355 9.233,356 2.783,357 4.129,358 3.847,359 6.089,360 3.75,361 2.763,362 3.735,363 2.612,364 8.709,365 2.728,366 4.124,367 3.76,368 5.675,369 3.614,370 2.648,371 3.734,372 2.035,373 7.971,374 2.551,375 3.623,376 3,377 5.112,378 3.178,379 2.244,380 3.037,381 0.916,382 6.084,383 2.097,384 3.393,385 2.97,386 5.029,387 3.055,388 2.094,389 2.509,390 0.4,391 5.948,392 2.011,393 3.37,394 2.758,395 4.72,396 2.78,397 1.846,398 2.48,399 0.4,400 4.793,401 1.729,402 3.229,403 2.678,404 4.338,405 2.686,406 1.75,407 2.244,408 0.172,409 4.342,410 1.627,411 2.92,412 2.342,413 4.291,414 2.512,415 1.534,416 2.022,418 3.855,419 1.503,420 2.883,421 2.233,422 3.812,423 2.428,424 1.477,425 1.953,427 3.22,428 1.4,429 2.761,430 1.76,431 3.69,432 2.329,433 1.368,434 1.807,436 3.012,437 1.289,438 2.653,439 1.698,440 3.621,441 2.114,442 1.123,443 1.604,445 2.792,446 1.11,447 2.602,448 1.534,449 3.287,450 1.778,451 0.833,452 1.094,454 1.891,455 0.776,456 2.215,457 1.446,458 3.175,459 1.588,460 0.67,461 0.979,463 1.573,464 0.606,465 1.918,466 1.156,467 3.022,468 1.498,469 0.54,470 0.828,472 0.975,473 0.515,474 16.4,475 0.469,476 0.894,477 0.026,478 48.5,479 1.386,480 26,481 0.743,482 22.5,483 0.643,484 28.707,485 0.82,486 38.2,487 0.647,488 41.179,489 1.177,490 9.341,491 0.267,492 7.437,493 0.212,494 0.167,496 0.317,501 0.485,502 1.204,503 0.699,504 0.958,505 0.476,506 0.929,507 0.701,508 1.142,509 1.065,510 1.135,511 0.36,512 0.945,513 0.845,514 1.247,515 1.016,516 1.213,517 0.547,518 1.143,519 0.743,520 0.952,521 0.842,522 0.941,523 0.761,524 0.902,525 1.274,526 0.868,527 1.032,528 0.864,529 1.251,530 0.943,531 0.76,532 1.065,533 1.056,534 1.101,535 0.761,536 1.03,537 1.195,538 1.176,539 1.081,540 1.166,541 1.275,542 1.053,543 1.123,544 1.023,545 1.329,546 1.201,547 1.095,548 0.954,549 7.5,550 0.173,551 3.333,552 2.444,553 1.992,554 1.657,555 0.767,556 0.64,557 0.411,558 0.31,559 18248,560 60919,561 1.978,562 40.7,564 22,567 2,572 1.767,573 1.826,574 3.744,575 0.276,582 105.875,583 1.794,584 3.698,585 4.738,586 5.179,587 5.315,588 5.382,589 3.19,590 4.765,591 5.096,592 3.99,593 2373.84,594 8.952,595 38932.8,600 347.076,601 1.495,602 5.043,603 0.203,604 0.005,605 0.067,606 0.048,607 0.038,608 0.033,609 0.015,610 0.014,611 0.01,612 0.008,613 0.442,614 0.33,615 0.63,616 1.115,617 192.253,618 0.192,619 0.003,620 0.063,621 0.052,622 0.026,624 0.068,625 -0.019,626 -0.049,627 -0.022,628 0.227,629 0.042,630 -0.039,631 -0.181,632 -0.082,633 -0.188,634 0.006,635 -0.163,636 0.113,637 0.019,638 0.158,639 0.04,640 0.064,641 0.111,642 -0.13,643 0.125,644 -0.08,645 0.094,646 -0.18,648 0.277,649 -0.058,650 0.028,651 -0.047,652 0.311,653 -0.048,654 -0.149,655 -0.169,656 0.025,657 -0.092,658 -0.115,659 -0.069,660 -0.081,661 -0.031,662 -0.073,663 -0.065,664 0.053,665 0.059,666 2.697,667 4.59,668 0.486,669 43.329,670 1.022,671 1.13,672 2.355,673 5.548,674 0.675,675 3.638,676 3.932,677 4.143,678 4.382,679 4.543,680 4.644,681 4.673,682 4.682,683 4.7,684 4.736,685 8.498,686 0.655,687 496.6,688 3.638,689 5.165,690 5.989,691 6.853,692 7.701,693 8.573,694 9.43,695 10.305,696 11.168,697 12.046,698 10.2,701 1,703 1,706 1,707 1,709 2,715 8,718 1,720 8,722 17,724 1,734 2,735 2,741 59,743 22,744 2,745 37,747 61,748 23,749 16,750 6,751 6,756 3,757 3,771 1,772 16,773 6,777 4,779 2,782 4,792 1,793 24,794 9,795 2,796 12,797 1,802 6,808 1,809 5,828 1,829 2,855 1,859 3,860 1,862 1,864 2,868 35,876 4,877 2,879 1,881 1,885 1,889 1,891 1,893 8.5,898 1,899 4,901 19.167,902 11.217,903 7.889,904 3.207,907 3.185,908 1.42,909 0.944,910 9.38,911 10.765,912 3.961,913 4.525,914 5.03,915 5.579,916 6.004,917 6.316,918 6.546,919 6.771,920 6.977,921 7.336,922 1,923 51,924 12.948,926 5.484,927 0.026,929 8.133,931 23.746,933 18.624,936 2.633,937 92.167,941 258.964,942 175.302,943 81.545,945 111.001,947 32.22,948 143.082,949 369.965,950 81.545,951 28.133,952 6.011,953 75.81,954 34.612,955 78.671,956 10.898,957 291.184,958 101.494,959 258.964,960 224.627,961 111.001,962 32.22,964 258.964,965 9.507,966 101.494,968 58.205,969 137.071,970 29.351,971 32.22,972 258.964,973 192.546,974 175.302,977 258.964,978 66.097,979 107.067,980 52.623,981 142.061,982 258.964,983 192.546,984 175.302,986 0.572,987 0.321,988 0.176,989 0.095,990 20,991 11,992 0.197,993 12,995 1,996 4.513,997 309.28,999 17,1000 173.525,1001 1,1005 26.36,1006 12.455,1007 7.365,1009 181.206,1010 12.635,1013 5.769,1015 1.695,1017 36.022,1018 626.812,1019 51.5,1021 -1.359,1024 46.335,1031 60.276,1032 66.694,1034 0.305,1035 0.629,1036 0.805,1037 0.88,1038 0.903,1039 0.915,1040 5.189,1041 1.75,1042 5.969,1043 4.793,1044 4.615,1045 5.212,1046 4.012,1047 6.749,1048 4.538,1049 6.403,1050 1.534,1051 7.512,1052 4.342,1053 4.205,1054 5.094,1055 3.025,1056 7.615,1057 4.114,1058 7.71,1059 1.477,1060 9.155,1061 3.855,1062 6.176,1063 7.404,1064 5.969,1065 10.686,1066 6.04,1067 9.052,1068 1.368,1069 10.857,1070 3.22,1071 6.567,1072 8.106,1073 5.197,1074 12.378,1075 6.42,1076 10.424,1077 1.123,1078 12.598,1079 3.012,1080 8.018,1081 9.894,1082 8.121,1083 14.961,1084 7.835,1085 11.818,1086 0.833,1087 14.366,1088 2.792,1089 8.781,1090 10.964,1091 7.249,1092 16.999,1093 8.581,1094 13.229,1095 0.67,1096 16.153,1097 1.891,1098 10.023,1099 12.544,1100 10.365,1101 19.409,1102 9.792,1103 3.145,1104 0.54,1105 17.955,1106 1.573,1107 10.966,1108 13.79,1109 9.241,1110 21.6,1111 10.712,1112 2.845,1113 10.507,1114 19.768,1115 0.975,1116 12.121,1117 15.282,1118 12.663,1119 23.948,1120 11.839,1121 2.763,1122 9.233,1123 21.589,1124 4.319,1125 13.151,1126 16.615,1127 11.202,1128 26.209,1129 12.841,1130 2.648,1131 8.709,1132 23.418,1133 3.874,1134 14.274,1135 18.07,1136 14.99,1137 28.539,1138 13.935,1139 2.244,1140 7.971,1141 25.252,1142 3.735,1143 15.346,1144 19.449,1145 13.145,1146 30.835,1147 14.978,1148 2.094,1149 6.084,1150 27.091,1151 3.734,1152 16.461,1153 20.89,1154 17.334,1155 33.162,1156 16.062,1157 1.846,1158 5.948,1159 28.935,1160 3.037,1161 17.556,1162 22.295,1163 15.079,1164 35.477,1165 17.125,1166 18035,1167 33288,1168 23.868,1169 39.807,1170 55.881,1171 61.551,1172 56.331,1173 54.155,1174 54.141,1175 72.95,1176 24.842,1177 150.678,1178 51.902,1179 5.476,1180 6.25,1181 6.365,1182 5.228,1183 5.145,1184 7.319,1185 6.545,1186 17.36,1187 5.046,1188 21.728,1189 1.51,1190 1.664,1191 1.522,1192 1.464,1193 1.463,1194 1.972,1195 0.671,1196 4.072,1197 1.403,1198 4.077,1199 4.105,1200 4.062,1201 3.936,1202 7.819,1203 3.952,1204 3.942,1205 3.956,1206 3.971,1207 3.811,1208 7.811,1209 3.814,1210 3.894,1211 3.923,1212 3.85,1213 3.801,1214 6.999,1215 3.811,1216 3.656,1217 3.685,1218 3.719,1219 3.463,1220 6.999,1221 3.403,1222 3.567,1223 3.64,1224 3.648,1225 3.287,1226 6.82,1227 3.302,1228 3.511,1229 3.577,1230 3.38,1231 3.149,1232 5.035,1233 3.239,1234 3.33,1235 3.363,1236 3.337,1237 3.034,1238 4.772,1239 3.056,1240 3.183,1241 3.237,1242 3.143,1243 2.993,1244 4.607,1245 3.039,1246 0.123,1247 0.115,1248 0.178,1249 0.111,1250 0.085,1251 4.553,1252 0.117,1253 4.25,1254 0.088,1255 6.598,1256 0.284,1257 4.114,1258 0.082,1259 3.145,1260 4.319,1261 3.272,1262 10.507,1263 3.046,1264 1.97,1265 1.943,1266 2.039,1267 2.153,1268 1.178,1269 2.103,1270 1.868,1271 1.843,1272 1.956,1273 1.977,1274 1.092,1275 1.974,1276 1.648,1277 1.592,1278 1.868,1279 1.882,1280 1.034,1281 1.881,1282 1.6,1283 1.57,1284 1.742,1285 1.842,1286 1.025,1287 1.786,1288 1.441,1289 1.383,1290 1.662,1291 1.747,1292 0.852,1293 1.68,1294 1.299,1295 1.259,1296 1.526,1297 1.644,1298 0.657,1299 1.627,1300 1.264,1301 1.215,1302 1.417,1303 1.53,1304 0.469,1305 1.534,1306 1.127,1307 1.083,1308 1.32,1309 1.481,1310 0.364,1311 1.419,1312 4.317,1314 5.617,1315 2.398,1316 7.093,1317 4.595,1318 8.659,1319 6.555,1320 10.28,1322 3.923,1328 2.376,1329 5.877,1331 1.592,1333 2.013,1338 9.298,1339 2.012,1340 38.631,1341 105.875,1342 218.163,1343 279.566,1344 305.566,1345 313.566,1346 317.566,1347 107.037,1348 7.58,1349 155.87,1350 181.17,1351 17,1352 12.587,1353 4.524,1354 3.954,1355 70.626,1356 172,1357 205,1358 0.19,1359 245.963,1360 433.46,1361 591.91,1362 21832,1364 25.372,1365 0.725,1366 0.571,1367 25.725,1368 20.002,1369 16.778,1370 0.453,1371 0.316,1372 10.452,1373 15.379,1374 10.06,1375 8.398,1376 17.278,1377 11.705,1378 15.069,1379 0.301,1380 0.177,1381 15.566,1382 8.873,1383 11.412,1384 0.184,1385 0.094,1386 11.968,1387 5.801,1388 9.532,1389 0.121,1390 0.051,1391 10.041,1392 4.03,1393 7.135,1394 0.077,1395 0.029,1396 7.65,1397 2.691,1398 0.305,1399 112.28,1400 0.205,1401 32.706,1402 0.501,1403 174,1404 642.784,1405 215.386,1406 634.395,1407 826.06,1408 582,1409 199,1410 582.135,1411 237.762,1412 587.781,1413 837.88,1414 544,1415 6.201}
{0 CHEMBL106126,1 1.5,2 7.211,3 2.337,4 5.463,5 73.051,6 6.497,8 3.785,9 3.916,10 3.228,11 3.225,12 4.783,13 3.189,14 4.396,15 4.609,16 3.623,17 3.632,18 5.374,19 3.573,20 4.65,21 4.878,22 3.709,23 3.8,24 5.635,25 3.712,26 4.808,27 5.064,28 3.685,29 3.747,30 5.853,31 3.675,32 4.678,33 4.895,34 3.429,35 3.563,36 5.922,37 3.501,38 4.452,39 4.709,40 3.233,41 3.457,42 5.434,43 3.349,44 4.332,45 4.56,46 3.006,47 3.387,48 5.337,49 3.263,50 4.223,51 4.481,52 2.636,53 3.326,54 5.034,55 3.092,56 0.054,57 0.57,58 9.952,59 3.857,60 5.584,61 5.528,62 0.331,63 0.903,64 19.041,65 6.273,66 26.598,67 9.397,68 0.343,69 1.083,70 24.576,71 7.854,72 32.411,73 11.963,74 0.391,75 1.077,76 29.594,77 7.542,78 54.284,79 12.008,80 0.805,81 0.88,82 27.165,83 5.999,84 111.378,85 9.208,86 0.314,87 0.76,88 20.501,89 5.909,90 43.442,91 8.951,92 0.387,93 0.684,94 18.349,95 5.455,96 51.393,97 7.902,98 0.104,99 0.642,100 15.436,101 5.933,102 24.48,103 8.668,104 38,105 29,106 0.273,107 0.492,108 0.748,109 0.82,110 0.82,111 0.82,112 3.011,113 1.04,114 -3.88,115 -3.84,116 -3.65,121 34.1,122 4,123 2,124 2,127 2,138 1,140 1,160 1,161 1,168 1,176 6,179 4,180 6,187 6,191 3,192 6,200 2,206 15,214 2,218 2,219 8,232 6,239 4,244 2,251 6,256 2,264 6,277 4,281 403,282 12.121,283 12.121,284 12.121,285 12.121,286 12.121,287 11.611,288 15.463,289 6.897,290 12.328,291 9.793,292 9.793,293 9.793,294 9.793,295 9.793,296 8.847,297 13.787,298 3.204,299 10.081,300 3.858,301 2.655,302 1.251,303 0.854,304 0.854,305 0.854,306 3.654,310 1,311 1,312 1,313 278,314 3,317 54.367,318 64.697,325 1.086,326 23.939,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 42,338 137,339 4.538,340 4.556,341 6.908,342 4.238,343 3.269,344 3.931,345 2.72,346 11.431,347 3.165,348 3.992,349 3.638,350 6.306,351 3.785,352 2.82,353 3.159,354 1.632,355 9.296,356 2.711,357 3.398,358 3.226,359 5.506,360 3.339,361 2.351,362 2.413,363 0.945,364 6.922,365 2.32,366 3.161,367 2.796,368 4.932,369 2.911,370 1.937,371 2.216,372 0.461,373 5.452,374 1.879,375 2.97,376 2.529,377 4.779,378 2.76,379 1.771,380 1.969,381 0.069,382 4.86,383 1.726,384 2.518,385 1.948,386 4.285,387 2.339,388 1.351,389 1.473,391 3.446,392 1.329,393 2.18,394 1.874,395 3.617,396 2.119,397 1.137,398 1.162,400 2.596,401 1.114,402 1.971,403 1.223,404 3.44,405 1.642,406 0.613,407 0.736,409 1.616,410 0.621,411 1.081,412 0.703,413 2.523,414 0.796,415 -0.252,416 -0.29,418 -0.588,419 -0.26,420 0.609,421 0.211,422 2.341,423 0.571,424 -0.406,425 -0.408,427 -0.9,428 -0.394,429 0.52,430 -0.086,431 2,432 0.214,433 -0.767,434 -0.816,436 -2,437 -0.744,438 0.308,439 -0.274,440 2,441 0.197,442 -0.824,443 -1,445 -2.023,446 -0.834,448 -0.513,449 1.629,451 -1,452 -1.036,454 -2.074,455 -1,456 -0.15,457 -0.946,458 1.535,459 -0.353,460 -1.338,461 -1.372,463 -3.388,464 -1.313,465 -0.306,466 -1,467 1.327,468 -0.487,469 -1.483,470 -1.719,472 -4.196,473 -1.463,474 8.8,475 0.463,476 0.672,477 0.035,478 16.75,479 0.882,480 4.5,481 0.237,482 12.25,483 0.645,484 20.43,485 1.075,486 23,487 0.561,488 11.28,489 0.594,490 2.849,491 0.15,492 6.065,493 0.319,494 0.303,496 0.432,501 0.588,502 1.653,503 0.885,504 1.426,505 0.531,506 1.24,507 0.512,508 1.125,509 0.757,510 1.032,511 0.412,512 0.945,513 0.608,514 1.273,515 0.887,516 1.213,517 0.619,518 1.109,519 1.32,520 1.092,521 0.962,522 0.985,523 1.164,524 0.906,525 2.268,526 0.802,527 1.511,528 0.791,529 2.153,530 0.981,531 1.283,532 0.897,533 1.037,534 0.909,535 1.247,536 0.922,537 1.726,538 0.788,539 1.408,540 0.898,541 1.818,542 1.075,543 0.521,544 1.36,545 1.218,546 1.553,547 0.765,548 1.535,549 4.5,551 2.667,552 2.542,553 1.202,554 0.618,555 0.376,556 0.241,557 0.123,558 0.031,559 2711,560 6142,561 1.906,562 53.7,563 12,564 4,569 6,572 1.607,573 1.701,574 2.894,575 -0.724,577 1,579 1,582 61.494,583 1.5,584 2.702,585 4.107,586 4.503,587 4.503,588 4.503,589 2.268,590 3.998,591 4.221,592 2.997,593 512.52,594 7.21,595 4946.28,596 1,597 1,599 1,600 219.66,601 1.557,602 4.121,603 0.225,605 0.092,606 0.085,607 0.043,608 0.031,609 0.021,610 0.017,611 0.015,612 0.008,613 0.537,614 0.83,615 1,616 0.972,617 80.958,618 0.113,619 -0.253,620 0.069,621 -0.128,622 -0.012,623 -0.058,624 0.295,625 0.06,626 0.212,627 0.06,628 0.165,629 0.11,630 0.202,631 -0.156,632 0.072,633 -0.15,634 0.091,635 -0.073,636 -0.114,637 -0.131,638 0.063,639 -0.073,640 -0.01,641 0.021,642 -0.354,643 0.142,644 -0.369,645 0.059,646 -0.193,647 -0.13,648 -0.16,649 0.059,650 -0.036,651 0.046,652 -0.092,653 0.034,654 -0.38,655 0.202,656 -0.376,657 0.088,658 -0.299,659 -0.115,660 -0.015,661 -0.352,662 -0.346,663 -0.441,664 -0.049,665 -0.458,666 2.064,667 5.411,668 0.579,669 11.801,670 1.001,671 1.141,672 2.653,673 7.039,674 0.609,675 3.045,676 3.401,677 3.664,678 3.912,679 3.951,680 3.932,681 3.912,682 3.761,683 3.738,684 3.526,685 4.54,686 0.572,687 266.38,688 3.045,689 4.595,690 5.451,691 6.347,692 7.222,693 8.122,694 9.005,695 9.907,696 10.795,697 11.697,698 4.9,705 2,741 41,743 3,745 20,747 42,748 14,752 3,756 2,757 2,761 1,763 4,767 2,768 1,770 2,772 4,773 10,774 2,777 3,782 2,786 4,789 1,790 1,793 22,794 5,796 5,802 2,808 1,809 3,828 1,829 1,849 1,850 1,852 1,859 2,864 4,868 19,876 4,878 1,880 2,881 2,893 7.3,896 2,898 1,901 11.167,902 8.567,903 4.167,904 2.8,907 0.489,908 1.08,909 0.896,910 4.19,911 6.609,912 3.178,913 3.638,914 4.043,915 4.382,916 4.477,917 4.543,918 4.477,919 4.248,920 4.304,921 4.094,922 0.8,923 30,924 7.108,926 3.001,927 0.026,929 7.86,931 13.63,933 11.179,936 2.36,937 44.833,938 0.001,941 258.964,942 61.991,943 8.863,945 61.509,948 61.991,949 320.473,950 8.863,951 35.301,952 18.143,954 60.238,955 14.404,956 4.276,957 258.964,959 258.964,960 70.854,961 61.509,964 188.338,965 132.135,968 53.444,969 14.653,970 2.757,972 258.964,973 70.372,974 61.991,977 258.964,978 26.69,979 44.164,981 61.509,982 258.964,983 70.372,984 61.991,986 0.597,987 0.357,988 0.194,989 0.09,990 14,991 8,992 0.024,993 1,995 1,996 2.941,997 137.941,999 11,1000 78.711,1005 14.385,1006 5.535,1007 2.784,1009 70.372,1018 391.327,1019 23,1024 24.206,1028 0.612,1031 41.022,1032 46.777,1034 0.28,1035 0.504,1036 0.767,1037 0.841,1038 0.841,1039 0.841,1040 4.477,1041 0.613,1042 5.485,1043 2.596,1044 4.078,1045 4.317,1046 3.079,1047 6.351,1048 4.021,1049 5.663,1050 -0.252,1051 7.094,1052 1.616,1053 3.892,1054 4.29,1055 1.911,1056 7.391,1057 3.812,1058 6.977,1059 -0.406,1060 8.805,1061 -0.588,1062 5.727,1063 6.29,1064 4.692,1065 10.514,1066 5.6,1067 8.323,1068 -0.767,1069 10.571,1070 -0.9,1071 6.312,1072 7.066,1073 3.95,1074 12.365,1075 6.16,1076 9.707,1077 -0.824,1078 12.373,1079 -2,1080 7.702,1081 8.639,1082 6.552,1083 15.036,1084 7.505,1085 11.116,1086 -1,1087 14.201,1088 -2.023,1089 8.621,1090 9.753,1091 6.092,1092 17.218,1093 8.397,1094 12.545,1095 -1.338,1096 16.047,1097 -2.074,1098 9.856,1099 11.185,1100 8.477,1101 19.731,1102 9.592,1103 3.269,1104 -1.483,1105 17.909,1106 -3.388,1107 10.917,1108 12.44,1109 8.242,1110 22.052,1111 10.624,1112 2.82,1113 11.431,1114 19.781,1115 -4.196,1116 12.102,1117 13.825,1118 10.423,1119 24.508,1120 11.771,1121 2.351,1122 9.296,1123 21.663,1124 3.931,1125 13.224,1126 15.14,1127 10.37,1128 26.889,1129 12.863,1130 1.937,1131 6.922,1132 23.552,1133 3.159,1134 14.394,1135 16.509,1136 12.378,1137 29.327,1138 13.998,1139 1.771,1140 5.452,1141 25.447,1142 2.413,1143 15.544,1144 17.851,1145 12.476,1146 31.734,1147 15.116,1148 1.351,1149 4.86,1150 27.347,1151 2.216,1152 16.713,1153 19.216,1154 14.338,1155 34.167,1156 16.252,1157 1.137,1158 3.446,1159 29.251,1160 1.969,1161 17.875,1162 20.57,1163 14.562,1164 36.587,1165 17.383,1166 2853,1167 4442,1168 12.255,1169 24.989,1170 31.056,1171 33.989,1172 33.147,1173 30.506,1174 30.498,1175 34.119,1176 11.654,1177 91.241,1178 29.729,1179 5.538,1180 6.452,1181 6.46,1182 5.287,1183 5.269,1184 6.542,1185 5.262,1186 18.974,1187 5.102,1188 12.341,1189 1.553,1190 1.699,1191 1.657,1192 1.525,1193 1.525,1194 1.706,1195 0.583,1196 4.562,1197 1.486,1198 3.951,1199 3.991,1200 3.897,1201 3.788,1202 7.437,1203 3.802,1204 3.824,1205 3.871,1206 3.712,1207 3.696,1208 7.424,1209 3.691,1210 3.471,1211 3.537,1212 3.329,1213 3.259,1214 4.621,1215 3.263,1216 3.294,1217 3.376,1218 3.135,1219 3.11,1220 4.306,1221 3.093,1222 3.186,1223 3.255,1224 2.999,1225 2.955,1226 4.147,1227 2.971,1228 3.071,1229 3.112,1230 2.904,1231 2.774,1232 3.843,1233 2.803,1234 2.874,1235 3.009,1236 2.576,1237 2.618,1238 3.786,1239 2.57,1240 2.776,1241 2.86,1242 2.499,1243 2.49,1244 3.472,1245 2.492,1246 0.227,1247 0.228,1248 0.345,1249 0.212,1250 0.163,1251 4.538,1252 0.197,1253 4.556,1254 0.136,1255 6.908,1256 0.572,1257 4.238,1258 0.158,1259 3.269,1260 3.931,1261 2.72,1262 11.431,1263 3.165,1264 1.853,1265 1.795,1266 2.066,1267 2.034,1268 1.424,1269 2.045,1270 1.769,1271 1.73,1272 1.968,1273 1.902,1274 1.203,1275 1.925,1276 1.405,1277 1.337,1278 1.69,1279 1.665,1280 0.903,1281 1.658,1282 1.309,1283 1.227,1284 1.649,1285 1.532,1286 0.795,1287 1.576,1288 1.174,1289 1.134,1290 1.417,1291 1.472,1292 0.628,1293 1.451,1294 0.979,1295 0.947,1296 1.405,1297 1.318,1298 0.469,1299 1.308,1300 0.934,1301 0.804,1302 1.231,1303 1.239,1304 0.407,1305 1.27,1306 0.778,1307 0.671,1308 1.135,1309 1.088,1310 0.194,1311 1.134,1312 3.714,1314 5.056,1315 2.398,1316 6.586,1317 4.844,1318 8.201,1319 7.018,1320 9.86,1322 7.761,1328 3.628,1330 5.127,1332 0.565,1333 2.934,1340 23.455,1341 61.494,1342 110.797,1343 168.375,1344 184.64,1345 184.64,1346 184.64,1347 43.806,1348 6.12,1349 55.45,1350 55.45,1351 11,1352 12.22,1353 2,1354 2,1355 33.493,1356 51,1357 45,1358 0.338,1359 147.072,1360 266.49,1361 350.615,1362 2693,1364 14.154,1365 0.745,1366 0.637,1367 14.154,1368 12.102,1369 8.914,1370 0.446,1371 0.347,1372 6.832,1373 8.486,1374 6.518,1375 5.514,1376 8.914,1377 6.935,1378 8.448,1379 0.291,1380 0.2,1381 8.448,1382 5.803,1383 6.749,1384 0.178,1385 0.099,1386 6.749,1387 3.767,1388 5.871,1389 0.12,1390 0.057,1391 5.871,1392 2.785,1393 3.732,1394 0.073,1395 0.029,1396 3.732,1397 1.493,1398 0.505,1399 56.565,1400 0.286,1401 18.576,1402 0.999,1403 98,1404 302.497,1405 112.075,1406 280.947,1407 377.24,1408 260,1409 116,1410 282.521,1411 131.74,1412 277.823,1413 411.06,1414 259,1415 4.77}
{0 CHEMBL106344,1 1.783,2 14.765,3 4.055,4 16.444,5 135.82,6 8.11,7 0.472,8 4.197,9 4.315,10 3.856,11 3.685,12 5.4,13 3.664,14 4.708,15 4.877,16 4.152,17 4.049,18 6,19 4.007,20 4.897,21 5.083,22 4.204,23 4.147,24 6.004,25 4.082,26 5.04,27 5.274,28 4.219,29 4.16,30 6.184,31 4.077,32 4.975,33 5.175,34 4.178,35 4.105,36 6.154,37 4.046,38 4.981,39 5.186,40 4.223,41 4.099,42 6.44,43 4.02,44 4.846,45 5.042,46 4.183,47 4.046,48 6.058,49 3.966,50 4.887,51 5.108,52 4.028,53 4.001,54 6.041,55 3.918,56 0.281,57 0.924,58 11.748,59 5.239,60 11.118,61 6.585,62 0.555,63 1.396,64 26.322,65 8.866,66 79.153,67 11.053,68 0.624,69 1.596,70 31.238,71 10.47,72 43.728,73 13.491,74 0.831,75 1.668,76 38.905,77 12.186,78 82.659,79 16.407,80 0.997,81 1.537,82 34.96,83 10.776,84 92.114,85 13.5,86 1.284,87 1.554,88 38.762,89 10.944,90 196.574,91 14.237,92 0.717,93 1.435,94 32.935,95 10.167,96 86.974,97 12.633,98 0.745,99 1.408,100 39.024,101 10.839,102 91.883,103 13.479,104 47,105 48,106 0.287,107 0.586,108 0.759,109 0.833,110 0.849,111 0.855,112 3.56,113 0.969,114 -3.45,115 -3.43,116 -3.27,121 36.7,126 2,127 5,144 7,146 4,147 1,148 1,154 2,168 4,176 3,179 2,180 6,185 2,187 1,191 1,192 9,195 3,197 4,200 2,205 1,206 5,209 4,210 1,211 1,214 1,218 4,219 1,222 2,224 1,227 2,231 5,232 4,235 5,237 1,239 3,243 2,244 5,247 1,249 3,251 2,255 1,256 6,261 1,264 2,268 3,269 9,272 1,274 1,277 2,281 2554,282 22.551,283 22.551,284 22.551,285 22.551,286 22.551,287 19.874,288 33.58,289 13.692,290 23.165,291 17.806,292 17.806,293 17.806,294 17.806,295 17.806,296 13.771,297 52.118,298 6.549,299 18.733,300 4.124,301 2.261,302 1.186,303 0.725,304 0.625,305 0.592,306 4.24,312 1,313 1048,314 4.528,317 116.196,318 264.033,325 2.131,326 45.118,329 0.75,330 0.5,331 0.67,332 0.7,333 0.5,334 0.5,336 0.52,337 76,338 502,339 4.545,340 4.25,341 6.588,342 4.101,343 3.132,344 4.314,345 3.272,346 10.462,347 3.034,348 4.145,349 3.847,350 6.196,351 3.75,352 2.763,353 3.749,354 2.612,355 8.954,356 2.728,357 4.124,358 3.76,359 5.675,360 3.651,361 2.692,362 3.735,363 2.612,364 7.971,365 2.579,366 3.896,367 2.999,368 5.349,369 3.47,370 2.507,371 3.444,372 0.916,373 6.977,374 2.413,375 3.62,376 2.898,377 5.1,378 3.178,379 2.244,380 3.04,381 0.657,382 6.084,383 2.097,384 3.371,385 2.731,386 5.029,387 3.058,388 2.098,389 2.508,390 0.4,391 5.923,392 2.012,393 3.264,394 2.677,395 4.682,396 2.772,397 1.843,398 2.469,399 0.172,400 4.642,401 1.716,402 2.925,403 2.366,404 4.338,405 2.683,406 1.745,407 2.086,409 4.34,410 1.626,411 2.914,412 2.235,413 3.82,414 2.477,415 1.509,416 1.955,418 3.246,419 1.463,420 2.787,421 1.754,422 3.69,423 2.375,424 1.442,425 1.839,427 3.122,428 1.317,429 2.603,430 1.691,431 3.638,432 2.127,433 1.14,434 1.605,436 2.808,437 1.121,438 2.5,439 1.563,440 3.288,441 1.959,442 1,443 1.5,445 2.136,446 0.956,447 2.215,448 1.191,449 3.247,450 1.778,451 0.833,452 1.094,454 1.892,455 0.776,456 1.955,457 1,458 3.211,459 1.597,460 0.67,461 0.837,463 1.575,464 0.613,465 1.859,466 1,467 3.126,468 1.577,469 0.64,470 0.769,472 1.519,473 0.598,474 15.9,475 0.468,476 0.843,477 0.025,478 45.25,479 1.331,480 23,481 0.676,482 22.25,483 0.654,484 28.397,485 0.835,486 38.1,487 0.635,488 37.3,489 1.097,490 8.826,491 0.26,492 7.503,493 0.221,494 0.147,496 0.296,501 0.498,502 1.322,503 0.719,504 1.025,505 0.492,506 0.986,507 0.745,508 1.193,509 1.082,510 1.146,511 0.379,512 0.965,513 0.854,514 1.201,515 1.035,516 1.209,517 0.57,518 1.154,519 0.747,520 1.021,521 0.863,522 1.001,523 0.761,524 0.957,525 1.251,526 0.908,527 1.022,528 0.895,529 1.214,530 0.967,531 0.865,532 0.954,533 1.096,534 1.026,535 0.919,536 0.995,537 1.007,538 1.123,539 1.061,540 1.158,541 1.118,542 1.057,543 1.15,544 1.036,545 1.31,546 1.199,547 1.224,548 0.959,549 7,550 0.185,551 2.889,552 2.132,553 1.761,554 1.483,555 0.606,556 0.499,557 0.362,558 0.307,559 17633,560 55974,561 1.994,562 43.3,564 23,566 1,567 2,572 1.76,573 1.855,574 3.796,575 0.293,582 106.975,583 1.783,584 3.646,585 4.721,586 5.182,587 5.282,588 5.315,589 3.257,590 4.676,591 5.054,592 4.021,593 2255.6,594 8.864,595 36783.8,600 354.413,601 1.447,602 5.01,603 0.194,604 0.005,605 0.06,606 0.045,607 0.037,608 0.033,609 0.014,610 0.012,611 0.009,612 0.008,613 0.419,614 0.33,615 0.63,616 1.05,617 186.136,618 0.191,619 -0.063,620 0.07,621 0.024,622 0.015,623 -0.015,624 0.045,625 -0.034,626 -0.054,627 -0.029,628 0.241,629 0.03,630 -0.034,631 -0.116,632 -0.087,633 -0.176,634 -0.003,635 -0.164,636 0.106,637 -0.052,638 0.128,639 -0.016,640 0.068,641 0.051,642 -0.104,643 0.073,644 -0.054,645 0.06,646 -0.142,647 -0.015,648 0.243,649 0.039,650 0.01,651 0.019,652 0.31,653 -0.021,654 -0.04,655 -0.085,656 0.048,657 -0.055,658 -0.059,659 -0.056,660 -0.142,661 -0.052,662 -0.079,663 -0.055,664 -0.104,665 0.06,666 2.638,667 4.531,668 0.5,669 43.824,670 1.019,671 1.135,672 2.216,673 4.911,674 0.659,675 3.611,676 3.892,677 4.078,678 4.304,679 4.454,680 4.522,681 4.533,682 4.5,683 4.554,684 4.605,685 8.613,686 0.636,687 486.61,688 3.611,689 5.13,690 5.943,691 6.797,692 7.633,693 8.494,694 9.34,695 10.205,696 11.058,697 11.925,698 10,701 1,703 2,708 1,709 2,715 8,716 1,718 1,720 7,722 17,734 2,735 2,741 60,743 21,744 1,745 36,747 62,748 22,749 15,750 4,751 2,756 3,757 3,772 15,773 7,777 4,779 2,782 4,792 1,793 26,794 9,795 2,796 12,797 1,802 6,808 1,809 5,822 1,828 1,829 2,855 1,859 3,860 1,862 1,864 2,868 34,876 5,877 2,879 1,881 1,893 8.3,898 1,899 4,901 18.333,902 11.217,903 7.611,904 3.253,907 2.821,908 1.378,909 0.943,910 9.565,911 10.284,912 3.902,913 4.469,914 4.934,915 5.462,916 5.868,917 6.101,918 6.253,919 6.334,920 6.528,921 6.821,922 0.9,923 47,924 12.592,926 5.283,927 0.026,929 8.044,931 23.324,933 18.242,936 2.544,937 86.5,941 282.506,942 157.191,943 67.271,945 111.001,947 32.22,948 124.972,949 393.508,950 67.271,951 28.133,952 8.116,953 66.334,954 64.578,955 35.463,956 10.898,957 302.955,958 101.494,959 282.506,960 192.243,961 111.001,962 32.22,964 282.506,965 9.507,966 101.494,968 23.045,969 105.051,970 64.147,971 32.22,972 282.506,973 178.273,974 157.191,977 282.506,978 65.017,979 106.638,980 36.022,981 127.787,982 282.506,983 178.273,984 157.191,986 0.571,987 0.311,988 0.169,989 0.092,990 19,991 10,992 0.21,993 13,995 1,996 4.536,997 291.122,999 17,1000 166.974,1001 1,1005 25.811,1006 12.6,1007 7.888,1009 166.933,1010 13.265,1011 4.178,1013 5.775,1015 2.127,1017 36.022,1018 617.97,1019 48.5,1021 -1.262,1024 46.074,1031 61.16,1032 68.109,1034 0.302,1035 0.617,1036 0.799,1037 0.877,1038 0.894,1039 0.9,1040 5.113,1041 1.745,1042 5.911,1043 4.642,1044 4.575,1045 5.156,1046 3.861,1047 6.663,1048 4.488,1049 6.309,1050 1.509,1051 7.434,1052 4.34,1053 4.111,1054 5.007,1055 3.025,1056 7.473,1057 4.01,1058 7.604,1059 1.442,1060 9.058,1061 3.246,1062 6.107,1063 7.322,1064 5.878,1065 10.539,1066 5.953,1067 8.936,1068 1.14,1069 10.743,1070 3.122,1071 6.447,1072 7.993,1073 5.197,1074 12.201,1075 6.284,1076 10.3,1077 1,1078 12.468,1079 2.808,1080 7.917,1081 9.789,1082 8.078,1083 14.78,1084 7.709,1085 11.686,1086 0.833,1087 14.222,1088 2.136,1089 8.641,1090 10.833,1091 7.249,1092 16.809,1093 8.419,1094 13.09,1095 0.67,1096 15.997,1097 1.892,1098 9.892,1099 12.422,1100 10.347,1101 19.218,1102 9.634,1103 3.132,1104 0.64,1105 17.789,1106 1.575,1107 10.809,1108 13.651,1109 9.241,1110 21.412,1111 10.531,1112 2.763,1113 10.462,1114 19.594,1115 1.519,1116 11.969,1117 15.149,1118 12.655,1119 23.763,1120 11.658,1121 2.692,1122 8.954,1123 21.409,1124 4.314,1125 12.984,1126 16.474,1127 11.202,1128 26.032,1129 12.649,1130 2.507,1131 7.971,1132 23.234,1133 3.749,1134 14.109,1135 17.935,1136 14.987,1137 28.366,1138 13.743,1139 2.244,1140 6.977,1141 25.066,1142 3.735,1143 15.175,1144 19.312,1145 13.145,1146 30.67,1147 14.781,1148 2.098,1149 6.084,1150 26.904,1151 3.444,1152 16.29,1153 20.758,1154 17.333,1155 33.002,1156 15.865,1157 1.843,1158 5.923,1159 28.747,1160 3.04,1161 17.382,1162 22.165,1163 15.079,1164 35.324,1165 16.928,1166 17314,1167 31176,1168 23.463,1169 39.568,1170 53.027,1171 57.709,1172 54.029,1173 52.659,1174 52.687,1175 70.092,1176 21.287,1177 143.731,1178 50.256,1179 5.468,1180 6.25,1181 6.39,1182 5.214,1183 5.132,1184 7.314,1185 6.545,1186 17.291,1187 5.034,1188 19.776,1189 1.473,1190 1.603,1191 1.501,1192 1.463,1193 1.464,1194 1.947,1195 0.591,1196 3.993,1197 1.396,1198 4.069,1199 4.098,1200 4.055,1201 3.912,1202 7.819,1203 3.932,1204 3.942,1205 3.956,1206 3.97,1207 3.803,1208 7.811,1209 3.812,1210 3.866,1211 3.909,1212 3.804,1213 3.752,1214 6.999,1215 3.758,1216 3.66,1217 3.689,1218 3.719,1219 3.464,1220 6.999,1221 3.404,1222 3.568,1223 3.64,1224 3.65,1225 3.288,1226 5.035,1227 3.305,1228 3.512,1229 3.579,1230 3.387,1231 3.182,1232 4.895,1233 3.249,1234 3.383,1235 3.437,1236 3.35,1237 3.062,1238 4.669,1239 3.108,1240 3.187,1241 3.241,1242 3.138,1243 2.954,1244 4.272,1245 2.969,1246 0.126,1247 0.118,1248 0.183,1249 0.114,1250 0.087,1251 4.545,1252 0.12,1253 4.25,1254 0.091,1255 6.588,1256 0.291,1257 4.101,1258 0.084,1259 3.132,1260 4.314,1261 3.272,1262 10.462,1263 3.034,1264 1.952,1265 1.925,1266 2.022,1267 2.151,1268 1.179,1269 2.099,1270 1.832,1271 1.793,1272 1.949,1273 1.974,1274 1.086,1275 1.969,1276 1.648,1277 1.592,1278 1.868,1279 1.882,1280 1.032,1281 1.881,1282 1.601,1283 1.57,1284 1.745,1285 1.845,1286 1.009,1287 1.787,1288 1.444,1289 1.386,1290 1.664,1291 1.747,1292 0.853,1293 1.685,1294 1.325,1295 1.279,1296 1.529,1297 1.647,1298 0.662,1299 1.63,1300 1.28,1301 1.219,1302 1.516,1303 1.567,1304 0.654,1305 1.539,1306 1.209,1307 1.161,1308 1.417,1309 1.529,1310 0.469,1311 1.527,1312 4.29,1314 5.58,1315 2.398,1316 7.04,1317 4.595,1318 8.587,1319 6.555,1320 10.188,1322 3.943,1328 2.748,1329 6.007,1331 1.62,1333 2.024,1340 38.157,1341 106.975,1342 218.762,1343 283.252,1344 310.904,1345 316.904,1346 318.904,1347 94.993,1348 7.463,1349 144.97,1350 170.27,1351 17,1352 12.474,1353 4.459,1354 3.755,1355 67.476,1356 169,1357 194,1358 0.183,1359 242.226,1360 421.44,1361 582.791,1362 19194,1364 24.501,1365 0.721,1366 0.58,1367 24.855,1368 19.709,1369 16.329,1370 0.454,1371 0.323,1372 10.366,1373 14.897,1374 9.981,1375 8.326,1376 16.829,1377 11.632,1378 14.701,1379 0.306,1380 0.183,1381 15.199,1382 8.766,1383 10.886,1384 0.188,1385 0.098,1386 11.442,1387 5.671,1388 8.998,1389 0.123,1390 0.054,1391 9.506,1392 3.925,1393 6.765,1394 0.08,1395 0.031,1396 7.28,1397 2.628,1398 0.296,1399 109.734,1400 0.206,1401 32.165,1402 0.478,1403 168,1404 614.784,1405 210.08,1406 601.472,1407 785.07,1408 554,1409 190,1410 553.628,1411 229.456,1412 556.236,1413 793.08,1414 515,1415 5.886}
{0 CHEMBL106348,1 1.748,2 14.156,3 3.332,4 11.105,5 131.756,6 7.526,7 0.333,8 4.211,9 4.343,10 3.802,11 3.637,12 5.36,13 3.607,14 4.751,15 4.954,16 4.087,17 4.005,18 5.968,19 3.952,20 4.92,21 5.116,22 4.146,23 4.14,24 5.976,25 4.055,26 5.13,27 5.394,28 4.19,29 4.176,30 6.195,31 4.067,32 5.019,33 5.239,34 4.135,35 4.091,36 6.152,37 4.019,38 5.01,39 5.229,40 4.167,41 4.077,42 6.42,43 3.979,44 4.884,45 5.092,46 4.091,47 4.023,48 6.005,49 3.915,50 4.937,51 5.182,52 3.942,53 3.987,54 5.999,55 3.873,56 0.273,57 0.92,58 14.064,59 5.272,60 12.683,61 7.345,62 0.618,63 1.352,64 30.288,65 8.471,66 80.77,67 11.943,68 0.584,69 1.543,70 34.151,71 10.645,72 39.913,73 14.902,74 0.848,75 1.625,76 44.633,77 12.635,78 87.294,79 18.494,80 1.009,81 1.477,82 38.691,83 10.457,84 89.681,85 14.631,86 1.281,87 1.465,88 41.494,89 10.582,90 196.472,91 15.133,92 0.765,93 1.368,94 36.371,95 9.96,96 84.763,97 13.578,98 0.714,99 1.339,100 41.305,101 10.381,102 79.892,103 14.487,104 87,105 44,106 0.283,107 0.533,108 0.696,109 0.757,110 0.809,111 0.815,112 3.501,113 1.02,114 -3.24,115 -3.23,116 -3.1,121 32.3,126 4,127 6,144 4,146 4,154 2,168 4,176 1,179 2,180 4,185 2,191 1,192 8,195 3,197 3,200 2,205 1,206 5,209 4,210 1,214 1,218 4,219 1,222 2,227 1,231 5,232 3,235 5,237 1,239 1,243 2,244 2,247 1,249 2,255 1,256 2,264 1,268 3,269 4,272 1,277 2,281 2152,282 20.69,283 20.69,284 20.69,285 20.69,286 20.69,287 18.763,288 34.665,289 12.526,290 21.361,291 16.306,292 16.306,293 16.306,294 16.306,295 16.306,296 13.315,297 53.037,298 5.977,299 17.305,300 4.206,301 2.658,302 1.654,303 1.275,304 0.952,305 0.92,306 4.165,312 1,313 914,314 4.899,317 110.54,318 128.445,325 1.988,326 42.112,329 0.75,330 0.5,331 0.67,332 0.9,333 1,334 0.5,336 0.62,337 72,338 453,339 4.545,340 4.25,341 6.588,342 4.1,343 3.131,344 4.314,345 3.272,346 10.461,347 3.033,348 4.144,349 3.847,350 6.196,351 3.75,352 2.763,353 3.749,354 2.612,355 8.951,356 2.728,357 4.124,358 3.76,359 5.675,360 3.644,361 2.685,362 3.735,363 2.612,364 7.971,365 2.572,366 3.627,367 2.998,368 5.114,369 3.178,370 2.245,371 3.044,372 0.916,373 6.084,374 2.098,375 3.371,376 2.865,377 5.029,378 3.158,379 2.237,380 2.509,381 0.8,382 5.958,383 2.067,384 3.296,385 2.693,386 4.717,387 3.046,388 2.093,389 2.477,390 0.4,391 5.184,392 1.983,393 3.186,394 2.587,395 4.624,396 2.77,397 1.845,398 2.209,399 0.4,400 4.637,401 1.711,402 2.919,403 2.394,404 4.338,405 2.682,406 1.745,407 1.955,408 0.172,409 4.34,410 1.626,411 2.796,412 2.237,413 3.819,414 2.394,415 1.48,416 1.847,418 3.236,419 1.331,420 2.603,421 1.757,422 3.69,423 2.145,424 1.17,425 1.605,427 2.824,428 1.136,429 2.215,430 1.687,431 3.334,432 1.963,433 1,434 1.121,436 2.202,437 0.96,438 2.16,439 1.336,440 3.285,441 1.778,442 0.833,443 1.094,445 1.891,446 0.776,447 1.908,448 1.118,449 3.153,450 1.587,451 0.67,452 0.826,454 1.572,455 0.606,456 1.413,457 1,458 2.721,459 1.099,460 0.151,461 0.182,463 0.377,464 0.141,465 1.053,466 1,467 2.636,468 0.861,469 -0.066,470 -0.072,472 -0.16,473 -0.06,474 14.9,475 0.466,476 0.918,477 0.029,478 38,479 1.188,480 17,481 0.531,482 21,483 0.656,484 29.506,485 0.922,486 37.9,487 0.611,488 32.306,489 1.01,490 7.439,491 0.232,492 7.729,493 0.242,494 0.224,496 0.309,501 0.516,502 1.552,503 0.775,504 1.178,505 0.495,506 1.124,507 0.808,508 1.084,509 1.067,510 1.04,511 0.358,512 0.881,513 0.824,514 1.279,515 1.051,516 1.302,517 0.553,518 1.241,519 0.654,520 0.993,521 0.753,522 0.946,523 0.681,524 0.878,525 1.24,526 0.901,527 1.002,528 0.879,529 1.19,530 0.95,531 0.848,532 1.006,533 1.085,534 1.073,535 0.903,536 1.034,537 1.102,538 1.176,539 1.146,540 1.213,541 1.306,542 1.157,543 1.06,544 1.061,545 1.285,546 1.236,547 1.059,548 1.013,549 7.5,550 0.16,551 2.889,552 2.319,553 1.689,554 1.504,555 0.585,556 0.549,557 0.296,558 0.3,559 14042,560 43422,561 1.909,562 48.4,564 28,567 2,572 1.744,573 1.745,574 3.728,575 0.332,582 108.395,583 1.748,584 3.296,585 4.3,586 4.68,587 5.002,588 5.035,589 3.179,590 4.688,591 4.967,592 3.97,593 1969,594 8.685,595 30884.5,600 369.16,601 1.546,602 4.9,603 0.227,604 0.005,605 0.066,606 0.054,607 0.038,608 0.036,609 0.015,610 0.016,611 0.009,612 0.01,613 0.474,614 0.33,615 0.63,616 1.594,617 172.186,618 0.197,619 -0.183,620 0.076,621 -0.035,622 0.018,623 -0.056,624 0.019,625 0.109,626 -0.001,627 0.089,628 0.257,629 0.14,630 -0.022,631 -0.128,632 -0.099,633 -0.205,634 0.001,635 -0.199,636 0.15,637 -0.049,638 0.211,639 0.035,640 0.102,641 0.132,642 -0.096,643 0.102,644 -0.034,645 0.074,646 -0.126,647 0.006,648 0.251,649 0.011,650 0.012,651 -0.014,652 0.323,653 -0.053,654 -0.089,655 -0.104,656 -0.037,657 -0.086,658 -0.163,659 -0.143,660 -0.116,661 -0.054,662 -0.089,663 -0.098,664 -0.059,665 -0.002,666 2.613,667 4.459,668 0.344,669 40.125,670 1.015,671 1.144,672 2.014,673 4.057,674 0.631,675 3.526,676 3.807,677 3.951,678 4.174,679 4.304,680 4.419,681 4.382,682 4.29,683 4.205,684 4.263,685 8.353,686 0.6,687 466.63,688 3.526,689 5.043,690 5.844,691 6.698,692 7.528,693 8.391,694 9.234,695 10.102,696 10.952,697 11.823,698 9.7,701 2,703 2,709 2,715 4,718 1,720 6,722 11,734 2,735 2,741 62,743 15,744 1,745 33,747 63,748 20,749 10,750 4,751 2,756 2,757 2,772 10,773 10,777 4,779 2,782 4,792 1,793 30,794 9,795 2,796 12,797 1,802 6,808 1,809 5,828 1,829 1,855 2,859 2,860 1,862 1,864 4,868 32,876 6,877 2,879 1,881 2,893 8.1,898 1,899 4,901 18.333,902 12.133,903 7.194,904 3.344,907 2.148,908 1.302,909 0.913,910 10.574,911 9.265,912 3.773,913 4.314,914 4.737,915 5.268,916 5.644,917 5.978,918 6.062,919 5.996,920 5.797,921 5.97,922 1,923 43,924 11.867,926 4.869,927 0.026,929 8.042,931 22.082,933 16.95,936 2.542,937 81.333,941 329.591,942 135.857,943 53.61,945 111.001,947 32.22,948 103.637,949 440.592,950 53.61,951 44.926,952 10.222,953 37.905,954 36.022,955 26.783,956 10.898,957 361.81,958 101.494,959 329.591,960 157.248,961 111.001,962 32.22,964 329.591,965 9.507,966 101.494,968 16.471,969 93.415,970 47.362,971 32.22,972 329.591,973 164.611,974 135.857,977 329.591,978 64.366,979 89.079,980 36.022,981 111.001,982 329.591,983 164.611,984 135.857,986 0.572,987 0.299,988 0.16,989 0.088,990 16,991 10,992 0.222,993 14,995 1,996 4.275,997 259.71,999 11,1000 152,1001 1,1005 26.254,1006 12.889,1007 8.816,1009 153.271,1010 6.352,1013 5.768,1015 1.641,1017 36.022,1018 630.059,1019 42.5,1021 -1.222,1024 45.711,1031 62.927,1032 70.939,1034 0.294,1035 0.554,1036 0.722,1037 0.786,1038 0.84,1039 0.846,1040 4.996,1041 1.745,1042 5.826,1043 4.637,1044 4.489,1045 5.001,1046 3.87,1047 6.581,1048 4.389,1049 6.189,1050 1.48,1051 7.356,1052 4.34,1053 4.111,1054 4.956,1055 3.043,1056 7.42,1057 3.992,1058 7.486,1059 1.17,1060 8.986,1061 3.236,1062 6.023,1063 7.154,1064 5.879,1065 10.472,1066 5.852,1067 8.82,1068 1,1069 10.675,1070 2.824,1071 6.415,1072 7.922,1073 5.198,1074 12.152,1075 6.235,1076 10.187,1077 0.833,1078 12.404,1079 2.202,1080 7.839,1081 9.642,1082 8.078,1083 14.735,1084 7.616,1085 11.577,1086 0.67,1087 14.162,1088 1.891,1089 8.595,1090 10.765,1091 7.249,1092 16.777,1093 8.363,1094 12.986,1095 0.151,1096 15.941,1097 1.572,1098 9.824,1099 12.309,1100 10.347,1101 19.192,1102 9.556,1103 3.131,1104 -0.066,1105 17.738,1106 0.377,1107 10.762,1108 13.593,1109 9.241,1110 21.393,1111 10.479,1112 2.763,1113 10.461,1114 19.547,1115 -0.16,1116 11.913,1117 15.068,1118 12.655,1119 23.749,1120 11.598,1121 2.685,1122 8.951,1123 21.368,1124 4.314,1125 12.942,1126 16.429,1127 11.202,1128 26.022,1129 12.605,1130 2.245,1131 7.971,1132 23.197,1133 3.749,1134 14.065,1135 17.879,1136 14.987,1137 28.359,1138 13.698,1139 2.237,1140 6.084,1141 25.033,1142 3.735,1143 15.139,1144 19.278,1145 13.145,1146 30.664,1147 14.746,1148 2.093,1149 5.958,1150 26.876,1151 3.044,1152 16.256,1153 20.72,1154 17.333,1155 32.998,1156 15.832,1157 1.845,1158 5.184,1159 28.723,1160 2.509,1161 17.354,1162 22.141,1163 15.079,1164 35.32,1165 16.901,1166 14326,1167 25506,1168 20.69,1169 39.091,1170 48.553,1171 53.122,1172 49.902,1173 48.118,1174 48.093,1175 61.327,1176 22.372,1177 131.379,1178 45.536,1179 5.469,1180 6.25,1181 6.355,1182 5.213,1183 5.131,1184 7.314,1185 6.545,1186 17.289,1187 5.033,1188 22.14,1189 1.471,1190 1.61,1191 1.512,1192 1.458,1193 1.457,1194 1.858,1195 0.678,1196 3.981,1197 1.38,1198 4.065,1199 4.095,1200 4.052,1201 3.905,1202 7.819,1203 3.926,1204 3.942,1205 3.956,1206 3.969,1207 3.803,1208 7.811,1209 3.812,1210 3.696,1211 3.774,1212 3.72,1213 3.471,1214 6.999,1215 3.463,1216 3.645,1217 3.683,1218 3.655,1219 3.443,1220 6.999,1221 3.399,1222 3.567,1223 3.64,1224 3.534,1225 3.288,1226 5.034,1227 3.301,1228 3.51,1229 3.577,1230 3.377,1231 3.155,1232 4.687,1233 3.237,1234 3.366,1235 3.432,1236 3.337,1237 3.03,1238 4.341,1239 3.07,1240 3.191,1241 3.256,1242 3.102,1243 2.942,1244 4.271,1245 2.944,1246 0.138,1247 0.129,1248 0.2,1249 0.124,1250 0.095,1251 4.545,1252 0.131,1253 4.25,1254 0.099,1255 6.588,1256 0.317,1257 4.1,1258 0.092,1259 3.131,1260 4.314,1261 3.272,1262 10.461,1263 3.033,1264 1.948,1265 1.922,1266 2.016,1267 2.15,1268 1.192,1269 2.098,1270 1.648,1271 1.593,1272 1.882,1273 1.898,1274 1.12,1275 1.896,1276 1.633,1277 1.573,1278 1.868,1279 1.882,1280 1.042,1281 1.881,1282 1.597,1283 1.542,1284 1.744,1285 1.839,1286 1.03,1287 1.786,1288 1.442,1289 1.382,1290 1.664,1291 1.747,1292 0.853,1293 1.685,1294 1.314,1295 1.265,1296 1.592,1297 1.647,1298 0.718,1299 1.63,1300 1.278,1301 1.217,1302 1.526,1303 1.579,1304 0.657,1305 1.566,1306 1.213,1307 1.144,1308 1.417,1309 1.529,1310 0.469,1311 1.533,1312 4.205,1314 5.493,1315 2.398,1316 6.94,1317 4.595,1318 8.477,1319 6.555,1320 10.074,1322 7.733,1328 3.708,1329 6.049,1331 1.632,1333 3.962,1340 37.211,1341 108.395,1342 204.366,1343 266.631,1344 290.141,1345 310.141,1346 312.141,1347 109.699,1348 7.117,1349 135.32,1350 160.62,1351 11,1352 12.37,1353 4,1354 3.392,1355 77.101,1356 155,1357 172,1358 0.231,1359 239.217,1360 418.02,1361 575.449,1362 11984,1364 23.673,1365 0.74,1366 0.613,1367 24.027,1368 19.607,1369 15.168,1370 0.46,1371 0.34,1372 9.929,1373 13.683,1374 9.449,1375 7.954,1376 15.668,1377 11.219,1378 13.945,1379 0.317,1380 0.2,1381 14.443,1382 8.821,1383 9.572,1384 0.188,1385 0.105,1386 10.128,1387 5.359,1388 7.861,1389 0.123,1390 0.057,1391 8.369,1392 3.651,1393 5.706,1394 0.078,1395 0.033,1396 6.22,1397 2.4,1398 0.374,1399 103.091,1400 0.22,1401 30.611,1402 0.602,1403 154,1404 568.784,1405 195.775,1406 553.855,1407 713.4,1408 508,1409 172,1410 494.571,1411 211.456,1412 498.825,1413 707.34,1414 457,1415 6.284}
{0 CHEMBL106418,1 1.707,2 14.594,3 4.979,4 24.786,5 132.211,6 7.391,7 0.333,8 4.218,9 4.347,10 3.792,11 3.676,12 5.343,13 3.633,14 4.763,15 4.958,16 4.072,17 4.045,18 5.963,19 3.971,20 4.971,21 5.193,22 4.138,23 4.15,24 5.975,25 4.054,26 5.097,27 5.351,28 4.186,29 4.176,30 6.177,31 4.071,32 5.026,33 5.243,34 4.134,35 4.119,36 6.148,37 4.037,38 5.038,39 5.263,40 4.149,41 4.103,42 6.424,43 3.993,44 4.904,45 5.122,46 4.058,47 4.039,48 5.974,49 3.92,50 4.929,51 5.167,52 3.907,53 4.001,54 5.964,55 3.879,56 0.257,57 0.922,58 14.497,59 5.755,60 13.355,61 7.801,62 0.504,63 1.381,64 30.343,65 9.611,66 80.319,67 13.116,68 0.566,69 1.576,70 37.204,71 11.276,72 46.521,73 16.031,74 0.759,75 1.642,76 42.729,77 12.524,78 81.326,79 17.937,80 0.917,81 1.523,82 38.873,83 11.176,84 85.399,85 15.34,86 1.258,87 1.523,88 42.856,89 11.077,90 198.382,91 15.814,92 0.645,93 1.391,94 37.561,95 10.483,96 85.2,97 14.205,98 0.676,99 1.362,100 40.924,101 10.72,102 90.163,103 14.594,104 73,105 43,106 0.275,107 0.542,108 0.755,109 0.815,110 0.835,111 0.841,112 3.501,113 1.065,114 -4.19,115 -4.13,116 -3.91,121 33.3,122 1,123 3,126 2,127 5,144 4,146 4,154 2,168 4,176 4,179 2,180 4,185 3,187 2,191 1,192 8,195 2,197 4,200 3,205 1,206 5,209 4,210 1,211 1,214 2,218 4,219 1,222 2,224 1,227 3,231 4,232 5,235 5,237 2,239 3,244 6,249 3,251 2,256 8,261 1,264 2,268 1,269 9,272 1,274 1,277 3,281 2178,282 21.112,283 21.112,284 21.112,285 21.112,286 21.112,287 19.186,288 31.774,289 13.06,290 21.667,291 16.288,292 16.288,293 16.288,294 16.288,295 16.288,296 13.297,297 48.77,298 6.199,299 17.118,300 4.27,301 2.617,302 1.298,303 0.925,304 0.798,305 0.766,306 4.167,312 1,313 943,314 4.796,317 110.592,318 128.562,325 2.094,326 42.407,329 1,330 0.5,331 0.83,332 1,333 1,334 0.67,335 0.5,336 0.79,337 71.5,338 467,339 4.545,340 4.25,341 6.588,342 4.1,343 3.131,344 4.314,345 3.272,346 10.461,347 3.033,348 4.144,349 3.847,350 6.196,351 3.75,352 2.763,353 3.749,354 2.612,355 8.951,356 2.728,357 4.124,358 3.76,359 5.675,360 3.644,361 2.684,362 3.735,363 2.612,364 7.971,365 2.572,366 3.626,367 2.998,368 5.113,369 3.178,370 2.244,371 3.043,372 0.916,373 6.084,374 2.097,375 3.371,376 2.862,377 5.029,378 3.078,379 2.118,380 2.508,381 0.4,382 5.952,383 2.03,384 3.274,385 2.691,386 4.694,387 2.837,388 1.891,389 2.473,390 0.4,391 4.691,392 1.797,393 2.919,394 2.422,395 4.338,396 2.7,397 1.772,398 1.955,399 0.172,400 4.341,401 1.643,402 2.821,403 2.238,404 3.828,405 2.638,406 1.658,407 1.866,409 3.361,410 1.615,411 2.712,412 1.836,413 3.715,414 2.387,415 1.469,416 1.717,418 3.201,419 1.326,420 2.603,421 1.725,422 3.689,423 2.14,424 1.158,425 1.605,427 2.806,428 1.132,429 2.215,430 1.62,431 3.288,432 1.983,433 1,434 1.095,436 1.899,437 0.981,438 2.112,439 1.25,440 3.198,441 1.778,442 0.833,443 1.081,445 1.885,446 0.776,447 1.909,448 1.093,449 3.118,450 1.587,451 0.67,452 0.827,454 1.572,455 0.606,456 1.481,457 1,458 2.707,459 1.253,460 0.284,461 0.321,463 0.555,464 0.274,465 1.178,466 1,467 2.622,468 0.983,469 0.049,470 0.054,472 0.108,473 0.044,474 15,475 0.469,476 0.774,477 0.024,478 37.25,479 1.164,480 17,481 0.531,482 20.25,483 0.633,484 30.88,485 0.965,486 37.8,487 0.6,488 30.08,489 0.94,490 6.784,491 0.212,492 8.528,493 0.266,494 0.189,496 0.28,501 0.481,502 1.409,503 0.789,504 1.137,505 0.485,506 1.111,507 0.687,508 1.225,509 1.069,510 1.195,511 0.344,512 1.029,513 0.778,514 1.196,515 0.94,516 1.157,517 0.51,518 1.081,519 0.703,520 1.001,521 0.8,522 0.957,523 0.719,524 0.898,525 1.215,526 0.943,527 1.001,528 0.921,529 1.176,530 0.984,531 0.872,532 0.989,533 1.1,534 1.044,535 0.896,536 1.024,537 1.164,538 1.14,539 1.127,540 1.158,541 1.297,542 1.095,543 1.181,544 1.062,545 1.345,546 1.209,547 1.259,548 1.017,549 6.5,550 0.177,551 2.667,552 2.194,553 1.689,554 1.448,555 0.544,556 0.44,557 0.312,558 0.256,559 14166,560 41734,561 1.926,562 49.2,563 7,564 20,567 2,569 2,572 1.744,573 1.778,574 3.768,575 0.301,582 107.531,583 1.707,584 3.361,585 4.679,586 5.052,587 5.179,588 5.211,589 3.227,590 4.75,591 4.965,592 3.99,593 1979.19,594 8.684,595 31132.7,600 376.569,601 1.494,602 4.911,603 0.197,604 0.006,605 0.062,606 0.051,607 0.038,608 0.034,609 0.014,610 0.013,611 0.009,612 0.008,613 0.432,614 0.33,615 0.63,616 1.73,617 172.42,618 0.216,619 -0.057,620 0.072,621 0.013,622 0.03,623 -0.029,624 0.089,625 -0.04,626 -0.015,627 -0.036,628 0.264,629 0.023,630 0.016,631 -0.117,632 0.024,633 -0.105,634 0.036,635 -0.053,636 0.134,637 -0.017,638 0.171,639 0.025,640 0.089,641 0.099,642 -0.064,643 0.07,644 -0.033,645 0.041,646 -0.112,647 -0.023,648 0.24,649 0.028,650 -0.003,651 -0.008,652 0.315,653 -0.054,654 -0.154,655 -0.094,656 -0.014,657 -0.049,658 -0.164,659 -0.085,660 -0.171,661 -0.05,662 -0.136,663 -0.069,664 -0.147,665 -0.011,666 2.599,667 4.461,668 0.344,669 40.938,670 1.011,671 1.141,672 2.961,673 8.766,674 0.632,675 3.526,676 3.784,677 3.951,678 4.174,679 4.304,680 4.407,681 4.369,682 4.263,683 4.205,684 4.22,685 8.426,686 0.599,687 465.64,688 3.526,689 5.03,690 5.832,691 6.681,692 7.513,693 8.373,694 9.218,695 10.085,696 10.938,697 11.807,698 7.9,701 1,703 2,709 2,715 4,718 1,720 6,722 11,734 2,735 2,741 63,743 15,744 1,745 33,747 64,748 21,749 10,750 4,751 2,756 2,757 2,763 1,770 3,772 10,773 11,777 4,779 2,782 4,792 1,793 31,794 8,795 2,796 11,797 1,802 5,808 1,809 5,828 1,829 1,855 1,859 2,860 1,862 1,864 3,868 32,876 8,877 2,879 1,881 1,893 7.9,898 1,899 4,901 18,902 11.933,903 7.361,904 3.844,907 2.148,908 1.302,909 0.915,910 11.138,911 9.265,912 3.773,913 4.301,914 4.737,915 5.268,916 5.644,917 5.973,918 6.055,919 5.973,920 5.784,921 5.889,922 0.9,923 43,924 11.892,926 4.888,927 0.026,929 8.01,931 22.3,933 17.284,936 2.51,937 80.333,941 341.362,942 133.387,943 50.486,945 111.001,947 32.22,948 101.168,949 452.363,950 50.486,951 36.958,952 15.72,953 37.905,954 36.022,955 23.659,956 10.898,957 373.581,958 101.494,959 341.362,960 151.654,961 111.001,962 32.22,964 317.82,965 33.05,966 101.494,968 27.67,969 76.622,970 47.362,971 32.22,972 341.362,973 161.487,974 133.387,977 341.362,978 69.864,979 77.987,980 36.022,981 111.001,982 341.362,983 161.487,984 133.387,986 0.561,987 0.302,988 0.164,989 0.09,990 15,991 9,992 0.234,993 15,995 1,996 4.315,997 258.037,999 11,1000 154,1001 1,1005 26.293,1006 13.555,1007 8.84,1009 150.147,1010 6.403,1013 5.772,1015 1.747,1017 36.022,1018 636.236,1019 42.5,1021 -1.193,1024 45.72,1031 63.709,1032 71.856,1034 0.286,1035 0.562,1036 0.783,1037 0.845,1038 0.867,1039 0.872,1040 4.982,1041 1.658,1042 5.796,1043 4.341,1044 4.466,1045 4.987,1046 3.849,1047 6.547,1048 4.381,1049 6.164,1050 1.469,1051 7.319,1052 3.361,1053 4.007,1054 4.913,1055 3.025,1056 7.376,1057 3.907,1058 7.458,1059 1.158,1060 8.947,1061 3.201,1062 5.989,1063 7.143,1064 5.877,1065 10.451,1066 5.838,1067 8.792,1068 1,1069 10.638,1070 2.806,1071 6.347,1072 7.908,1073 5.197,1074 12.138,1075 6.187,1076 10.161,1077 0.833,1078 12.371,1079 1.899,1080 7.804,1081 9.637,1082 8.078,1083 14.727,1084 7.601,1085 11.554,1086 0.67,1087 14.134,1088 1.885,1089 8.553,1090 10.76,1091 7.249,1092 16.773,1093 8.336,1094 12.966,1095 0.284,1096 15.919,1097 1.572,1098 9.797,1099 12.306,1100 10.347,1101 19.189,1102 9.545,1103 3.131,1104 0.049,1105 17.72,1106 0.555,1107 10.737,1108 13.591,1109 9.241,1110 21.392,1111 10.464,1112 2.763,1113 10.461,1114 19.533,1115 0.108,1116 11.895,1117 15.067,1118 12.655,1119 23.748,1120 11.591,1121 2.684,1122 8.951,1123 21.357,1124 4.314,1125 12.927,1126 16.428,1127 11.202,1128 26.021,1129 12.597,1130 2.244,1131 7.971,1132 23.189,1133 3.749,1134 14.054,1135 17.878,1136 14.987,1137 28.358,1138 13.694,1139 2.118,1140 6.084,1141 25.027,1142 3.735,1143 15.131,1144 19.278,1145 13.145,1146 30.664,1147 14.742,1148 1.891,1149 5.952,1150 26.871,1151 3.043,1152 16.249,1153 20.72,1154 17.333,1155 32.998,1156 15.83,1157 1.772,1158 4.691,1159 28.72,1160 2.508,1161 17.349,1162 22.141,1163 15.079,1164 35.32,1165 16.899,1166 14444,1167 25138,1168 20.978,1169 39.847,1170 47.649,1171 52.414,1172 49.415,1173 47.436,1174 47.447,1175 60.685,1176 20.772,1177 127.675,1178 45.31,1179 5.469,1180 6.25,1181 6.524,1182 5.213,1183 5.131,1184 7.314,1185 6.545,1186 17.288,1187 5.033,1188 20.74,1189 1.444,1190 1.588,1191 1.497,1192 1.437,1193 1.438,1194 1.839,1195 0.629,1196 3.869,1197 1.373,1198 4.066,1199 4.095,1200 4.052,1201 3.906,1202 7.819,1203 3.927,1204 3.942,1205 3.956,1206 3.969,1207 3.803,1208 7.811,1209 3.812,1210 3.722,1211 3.79,1212 3.721,1213 3.575,1214 6.999,1215 3.557,1216 3.654,1217 3.686,1218 3.655,1219 3.463,1220 6.999,1221 3.403,1222 3.568,1223 3.64,1224 3.544,1225 3.289,1226 5.034,1227 3.304,1228 3.511,1229 3.578,1230 3.379,1231 3.2,1232 4.686,1233 3.248,1234 3.406,1235 3.48,1236 3.343,1237 3.1,1238 4.274,1239 3.14,1240 3.25,1241 3.299,1242 3.149,1243 2.971,1244 4.24,1245 2.997,1246 0.138,1247 0.129,1248 0.2,1249 0.124,1250 0.095,1251 4.545,1252 0.131,1253 4.25,1254 0.099,1255 6.588,1256 0.317,1257 4.1,1258 0.092,1259 3.131,1260 4.314,1261 3.272,1262 10.461,1263 3.033,1264 1.949,1265 1.922,1266 2.034,1267 2.15,1268 1.319,1269 2.099,1270 1.726,1271 1.659,1272 1.971,1273 1.911,1274 1.168,1275 1.937,1276 1.648,1277 1.592,1278 1.868,1279 1.882,1280 1.067,1281 1.881,1282 1.6,1283 1.57,1284 1.749,1285 1.842,1286 1.032,1287 1.788,1288 1.446,1289 1.387,1290 1.693,1291 1.747,1292 0.902,1293 1.695,1294 1.379,1295 1.305,1296 1.658,1297 1.655,1298 0.85,1299 1.645,1300 1.289,1301 1.232,1302 1.526,1303 1.623,1304 0.657,1305 1.616,1306 1.248,1307 1.206,1308 1.417,1309 1.53,1310 0.469,1311 1.533,1312 4.205,1314 5.476,1315 2.398,1316 6.917,1317 4.595,1318 8.453,1319 6.555,1320 10.052,1322 6.029,1328 6.077,1329 6.107,1331 1.64,1333 2.031,1340 37.716,1341 107.531,1342 211.717,1343 294.794,1344 318.304,1345 326.304,1346 328.304,1347 111.943,1348 7.117,1349 132.08,1350 157.38,1351 11,1352 12.355,1353 4,1354 3.392,1355 77.1,1356 156,1357 172,1358 0.229,1359 242.015,1360 424.32,1361 582.276,1362 12054,1364 23.51,1365 0.735,1366 0.612,1367 23.863,1368 19.574,1369 15.312,1370 0.464,1371 0.355,1372 10.466,1373 13.948,1374 10.042,1375 8.457,1376 15.812,1377 11.715,1378 13.469,1379 0.313,1380 0.203,1381 13.967,1382 8.725,1383 9.644,1384 0.189,1385 0.109,1386 10.2,1387 5.58,1388 7.906,1389 0.124,1390 0.06,1391 8.414,1392 3.835,1393 5.783,1394 0.079,1395 0.034,1396 6.297,1397 2.511,1398 0.372,1399 103.174,1400 0.218,1401 30.669,1402 0.596,1403 152,1404 547.139,1405 192.359,1406 533.768,1407 690.7,1408 490,1409 170,1410 483.163,1411 207.596,1412 483.896,1413 689.82,1414 447,1415 5.921}
{0 CHEMBL106782,1 1.757,2 13.5,3 4.066,4 16.534,5 123.009,6 7.677,7 0.355,8 4.129,9 4.255,10 3.738,11 3.582,12 5.292,13 3.549,14 4.662,15 4.85,16 4.025,17 3.947,18 5.914,19 3.887,20 4.849,21 5.054,22 4.093,23 4.047,24 5.912,25 3.97,26 4.99,27 5.234,28 4.141,29 4.08,30 6.122,31 3.991,32 4.907,33 5.104,34 4.087,35 4.029,36 6.087,37 3.962,38 4.941,39 5.151,40 4.093,41 4.012,42 6.387,43 3.908,44 4.815,45 5.036,46 3.956,47 3.908,48 5.932,49 3.787,50 4.791,51 5.037,52 3.712,53 3.812,54 5.841,55 3.679,56 0.268,57 0.845,58 12.554,59 5.09,60 11.753,61 6.76,62 0.533,63 1.257,64 27.315,65 8.509,66 79.774,67 11.34,68 0.581,69 1.424,70 32.421,71 9.828,72 42.835,73 13.609,74 0.795,75 1.488,76 38.468,77 11.158,78 79.695,79 15.672,80 0.913,81 1.373,82 33.766,83 10.062,84 84.039,85 13.176,86 1.229,87 1.386,88 38.632,89 10.171,90 193.924,91 14.073,92 0.708,93 1.234,94 34.862,95 9.358,96 89.417,97 12.444,98 0.76,99 1.131,100 37.845,101 9.321,102 102.611,103 12.343,104 71,105 41,106 0.289,107 0.567,108 0.763,109 0.803,110 0.826,111 0.832,112 3.439,113 1.037,114 -3.74,115 -3.7,116 -3.52,121 33.3,122 1,123 1,126 2,127 5,144 4,146 4,154 2,168 4,176 2,179 2,180 4,185 3,191 1,192 8,195 2,197 4,200 2,205 1,206 5,209 4,210 1,214 2,218 4,219 1,222 2,227 3,231 4,232 5,235 5,237 2,239 2,244 5,249 3,256 5,264 1,268 1,269 6,272 1,277 3,281 1714,282 19.698,283 19.698,284 19.698,285 19.698,286 19.698,287 17.771,288 31.774,289 12.06,290 20.253,291 15.288,292 15.288,293 15.288,294 15.288,295 15.288,296 12.297,297 48.77,298 5.695,299 16.124,300 4.076,301 2.39,302 1.198,303 0.952,304 0.812,305 0.777,306 4.103,311 1,312 1,313 819,314 4.583,317 102.526,318 118.934,325 1.867,326 41.157,329 1,330 0.67,331 0.83,332 1,333 1,334 0.67,335 0.5,336 0.81,337 67.5,338 405,339 4.545,340 4.25,341 6.588,342 4.1,343 3.131,344 4.314,345 3.272,346 10.46,347 3.033,348 4.144,349 3.847,350 6.196,351 3.75,352 2.763,353 3.749,354 2.612,355 8.951,356 2.728,357 4.124,358 3.76,359 5.675,360 3.644,361 2.684,362 3.735,363 2.612,364 7.971,365 2.572,366 3.626,367 2.998,368 5.113,369 3.178,370 2.244,371 3.043,372 0.916,373 6.084,374 2.097,375 3.371,376 2.862,377 5.029,378 3.074,379 2.115,380 2.508,381 0.4,382 5.951,383 2.027,384 3.272,385 2.691,386 4.693,387 2.804,388 1.87,389 2.472,390 0.4,391 4.681,392 1.748,393 2.919,394 2.42,395 4.338,396 2.688,397 1.757,398 1.955,399 0.172,400 4.341,401 1.627,402 2.806,403 2.238,404 3.821,405 2.434,406 1.503,407 1.856,409 3.242,410 1.393,411 2.604,412 1.782,413 3.69,414 2.311,415 1.35,416 1.605,418 2.844,419 1.277,420 2.457,421 1.705,422 3.462,423 2.113,424 1.121,425 1.445,427 2.523,428 1.109,429 2.215,430 1.476,431 3.287,432 1.778,433 0.833,434 1.094,436 1.891,437 0.776,438 1.916,439 1.154,440 3.16,441 1.588,442 0.67,443 0.828,445 1.572,446 0.606,447 1.557,448 1,449 2.765,450 1.317,451 0.357,452 0.408,454 0.665,455 0.342,456 1.204,457 1,458 2.659,459 0.982,460 0.051,461 0.058,463 0.116,464 0.047,465 1,466 0.759,467 2.469,468 0.673,469 -0.277,470 -0.313,472 -0.659,473 -0.26,474 14,475 0.467,476 0.774,477 0.026,478 36.25,479 1.208,480 17,481 0.567,482 19.25,483 0.642,484 27.122,485 0.904,486 35.2,487 0.618,488 29.065,489 0.969,490 6.784,491 0.226,492 7.528,493 0.251,494 0.202,496 0.3,501 0.485,502 1.401,503 0.761,504 1.106,505 0.49,506 1.079,507 0.704,508 1.202,509 1.065,510 1.168,511 0.351,512 0.98,513 0.82,514 1.227,515 0.968,516 1.185,517 0.534,518 1.101,519 0.733,520 0.97,521 0.809,522 0.94,523 0.743,524 0.881,525 1.247,526 0.952,527 1.035,528 0.953,529 1.225,530 1.025,531 0.86,532 1.059,533 1.143,534 1.13,535 0.908,536 1.11,537 1.192,538 1.113,539 1.159,540 1.16,541 1.294,542 1.107,543 1.25,544 0.941,545 1.416,546 1.156,547 1.347,548 0.964,549 6.5,550 0.144,551 2.667,552 2.194,553 1.689,554 1.448,555 0.544,556 0.362,557 0.23,558 0.2,559 11776,560 37480,561 1.921,562 47.4,563 3,564 20,567 2,569 2,572 1.726,573 1.765,574 3.662,575 0.342,577 1,582 100.163,583 1.757,584 3.443,585 4.635,586 4.881,587 5.021,588 5.056,589 3.061,590 4.507,591 4.876,592 3.893,593 1693.25,594 8.492,595 25239.7,597 1,600 332.475,601 1.524,602 4.812,603 0.21,604 0.006,605 0.065,606 0.054,607 0.039,608 0.036,609 0.015,610 0.012,611 0.009,612 0.008,613 0.454,614 0.33,615 0.75,616 1.465,617 158.026,618 0.208,619 -0.063,620 0.072,621 0.016,622 0.021,623 -0.03,624 0.077,625 -0.021,626 -0.01,627 -0.013,628 0.262,629 0.057,630 -0.011,631 -0.131,632 -0.005,633 -0.127,634 0.021,635 -0.081,636 0.115,637 0.016,638 0.166,639 0.042,640 0.076,641 0.116,642 -0.095,643 0.071,644 -0.079,645 0.024,646 -0.142,647 -0.064,648 0.236,649 -0.043,650 -0.048,651 -0.075,652 0.305,653 -0.135,654 -0.177,655 -0.102,656 -0.032,657 -0.065,658 -0.158,659 -0.109,660 -0.21,661 0.016,662 -0.151,663 -0.008,664 -0.181,665 0.039,666 2.613,667 4.376,668 0.367,669 34.333,670 1.017,671 1.141,672 2.51,673 6.301,674 0.637,675 3.466,676 3.738,677 3.912,678 4.143,679 4.277,680 4.369,681 4.304,682 4.143,683 4.043,684 4.007,685 7.977,686 0.608,687 437.58,688 3.466,689 4.977,690 5.784,691 6.64,692 7.477,693 8.343,694 9.192,695 10.061,696 10.916,697 11.788,698 8.8,701 1,703 2,709 2,715 4,718 1,720 6,722 11,734 2,735 2,741 57,743 15,744 1,745 31,747 58,748 19,749 10,750 4,751 2,756 2,757 2,763 1,770 1,772 10,773 9,777 4,779 2,782 4,790 1,792 1,793 27,794 8,795 2,796 11,797 1,802 5,808 1,809 5,828 1,829 1,855 1,859 2,860 1,862 1,864 3,868 30,876 6,877 2,879 1,881 1,893 8.8,898 1,899 4,901 17,902 10.933,903 6.861,904 3.344,907 2.171,908 1.31,909 0.917,910 9.748,911 9.163,912 3.726,913 4.273,914 4.72,915 5.257,916 5.637,917 5.963,918 6.033,919 5.919,920 5.674,921 5.678,922 0.889,923 41,924 11.126,926 4.593,927 0.026,929 8.078,931 20.667,933 15.95,936 2.578,937 77.333,940 1,941 294.278,942 128.318,943 50.486,945 111.001,947 32.22,948 96.099,949 405.279,950 50.486,951 36.958,952 10.651,953 37.905,954 36.022,955 23.659,956 10.898,957 326.497,958 101.494,959 294.278,960 146.585,961 111.001,962 32.22,964 270.735,965 33.05,966 101.494,968 22.601,969 76.622,970 47.362,971 32.22,972 294.278,973 161.487,974 128.318,977 294.278,978 64.795,979 77.987,980 36.022,981 111.001,982 294.278,983 161.487,984 128.318,986 0.565,987 0.307,988 0.169,989 0.096,990 15,991 9,992 0.224,993 13,995 1,996 4.111,997 238.3,999 11,1000 141.207,1001 1,1005 24.31,1006 12.029,1007 7.673,1009 150.147,1010 6.352,1013 5.754,1015 1.698,1017 36.022,1018 584.083,1019 40.5,1021 -1.222,1024 45.299,1031 57.942,1032 65.026,1034 0.301,1035 0.59,1036 0.795,1037 0.837,1038 0.861,1039 0.867,1040 4.94,1041 1.503,1042 5.759,1043 4.341,1044 4.419,1045 4.959,1046 3.849,1047 6.524,1048 4.329,1049 6.134,1050 1.35,1051 7.292,1052 3.242,1053 4.007,1054 4.913,1055 3.025,1056 7.376,1057 3.907,1058 7.436,1059 1.121,1060 8.929,1061 2.844,1062 5.958,1063 7.133,1064 5.877,1065 10.446,1066 5.802,1067 8.776,1068 0.833,1069 10.626,1070 2.523,1071 6.347,1072 7.908,1073 5.197,1074 12.138,1075 6.187,1076 10.15,1077 0.67,1078 12.364,1079 1.891,1080 7.788,1081 9.634,1082 8.078,1083 14.726,1084 7.581,1085 11.547,1086 0.357,1087 14.129,1088 1.572,1089 8.553,1090 10.76,1091 7.249,1092 16.773,1093 8.336,1094 12.961,1095 0.051,1096 15.916,1097 0.665,1098 9.789,1099 12.306,1100 10.347,1101 19.189,1102 9.535,1103 3.131,1104 -0.277,1105 17.718,1106 0.116,1107 10.737,1108 13.591,1109 9.241,1110 21.392,1111 10.464,1112 2.763,1113 10.46,1114 19.532,1115 -0.659,1116 11.892,1117 15.067,1118 12.655,1119 23.748,1120 11.587,1121 2.684,1122 8.951,1123 21.356,1124 4.314,1125 12.927,1126 16.428,1127 11.202,1128 26.021,1129 12.597,1130 2.244,1131 7.971,1132 23.188,1133 3.749,1134 14.052,1135 17.878,1136 14.987,1137 28.358,1138 13.692,1139 2.115,1140 6.084,1141 25.027,1142 3.735,1143 15.13,1144 19.278,1145 13.145,1146 30.664,1147 14.742,1148 1.87,1149 5.951,1150 26.871,1151 3.043,1152 16.248,1153 20.72,1154 17.333,1155 32.998,1156 15.829,1157 1.757,1158 4.681,1159 28.719,1160 2.508,1161 17.349,1162 22.141,1163 15.079,1164 35.32,1165 16.899,1166 12012,1167 21726,1168 19.592,1169 36.324,1170 45.142,1171 49.695,1172 46.889,1173 44.875,1174 44.9,1175 58.14,1176 20.772,1177 122.586,1178 42.765,1179 5.467,1180 6.25,1181 6.449,1182 5.213,1183 5.131,1184 7.314,1185 6.545,1186 17.288,1187 5.033,1188 19.8,1189 1.456,1190 1.603,1191 1.513,1192 1.448,1193 1.448,1194 1.875,1195 0.67,1196 3.954,1197 1.38,1198 4.064,1199 4.094,1200 4.052,1201 3.905,1202 7.819,1203 3.926,1204 3.942,1205 3.955,1206 3.969,1207 3.803,1208 7.811,1209 3.812,1210 3.674,1211 3.724,1212 3.72,1213 3.471,1214 6.999,1215 3.441,1216 3.604,1217 3.664,1218 3.654,1219 3.436,1220 6.999,1221 3.393,1222 3.566,1223 3.638,1224 3.461,1225 3.287,1226 5.034,1227 3.299,1228 3.508,1229 3.575,1230 3.369,1231 3.14,1232 4.686,1233 3.23,1234 3.315,1235 3.353,1236 3.301,1237 2.988,1238 4.273,1239 3.03,1240 3.079,1241 3.159,1242 3.027,1243 2.879,1244 4.236,1245 2.875,1246 0.147,1247 0.137,1248 0.213,1249 0.132,1250 0.101,1251 4.545,1252 0.139,1253 4.25,1254 0.106,1255 6.588,1256 0.337,1257 4.1,1258 0.098,1259 3.131,1260 4.314,1261 3.272,1262 10.46,1263 3.033,1264 1.949,1265 1.922,1266 2.02,1267 2.15,1268 1.203,1269 2.098,1270 1.648,1271 1.593,1272 1.896,1273 1.882,1274 1.135,1275 1.881,1276 1.624,1277 1.573,1278 1.868,1279 1.865,1280 1.047,1281 1.862,1282 1.594,1283 1.539,1284 1.742,1285 1.813,1286 1.031,1287 1.783,1288 1.44,1289 1.381,1290 1.662,1291 1.746,1292 0.852,1293 1.678,1294 1.297,1295 1.255,1296 1.526,1297 1.643,1298 0.657,1299 1.627,1300 1.262,1301 1.214,1302 1.419,1303 1.53,1304 0.52,1305 1.534,1306 1.107,1307 1.058,1308 1.417,1309 1.484,1310 0.469,1311 1.444,1312 4.143,1314 5.425,1315 2.398,1316 6.876,1317 4.595,1318 8.422,1319 6.555,1320 10.03,1322 5.884,1328 3.909,1329 5.997,1331 1.635,1333 2.028,1340 34.663,1341 100.163,1342 196.236,1343 264.21,1344 278.21,1345 286.21,1346 288.21,1347 99.264,1348 6.992,1349 132.08,1350 157.38,1351 11,1352 12.334,1353 4,1354 3.392,1355 69.556,1356 141,1357 150,1358 0.233,1359 222.83,1360 389.72,1361 535.465,1362 10156,1364 22.096,1365 0.737,1366 0.605,1367 22.449,1368 18.16,1369 14.312,1370 0.462,1371 0.346,1372 9.466,1373 12.948,1374 9.062,1375 7.623,1376 14.812,1377 10.715,1378 12.762,1379 0.311,1380 0.196,1381 13.26,1382 8.018,1383 9.144,1384 0.187,1385 0.103,1386 9.7,1387 5.05,1388 7.539,1389 0.122,1390 0.056,1391 8.047,1392 3.496,1393 5.581,1394 0.079,1395 0.033,1396 6.095,1397 2.363,1398 0.377,1399 97.174,1400 0.226,1401 28.988,1402 0.605,1403 144,1404 539.139,1405 184.359,1406 525.445,1407 679.18,1408 482,1409 162,1410 475.163,1411 199.596,1412 475.572,1413 678.28,1414 439,1415 6.585}
{0 CHEMBL106891,1 1.401,2 11.846,3 3.524,4 12.415,5 102.774,6 6.97,7 0.414,8 3.993,9 4.113,10 3.517,11 3.578,12 4.999,13 3.535,14 4.577,15 4.758,16 3.872,17 4.003,18 5.531,19 3.931,20 4.888,21 5.114,22 3.926,23 4.15,24 5.808,25 4.039,26 4.982,27 5.243,28 3.779,29 4.07,30 5.985,31 3.928,32 4.851,33 5.126,34 3.607,35 3.941,36 5.721,37 3.8,38 4.715,39 4.962,40 3.563,41 3.921,42 5.571,43 3.777,44 4.723,45 4.973,46 3.48,47 3.865,48 5.625,49 3.709,50 4.56,51 4.816,52 3.311,53 3.683,54 5.483,55 3.526,56 0.026,57 0.697,58 10.804,59 4.854,60 5.424,61 6.567,62 0.231,63 1.21,64 20.862,65 8.158,66 16.519,67 11.461,68 0.172,69 1.528,70 29.601,71 11.656,72 26.073,73 16.322,74 0.417,75 1.583,76 34.304,77 12.262,78 80.773,79 17.349,80 0.351,81 1.389,82 30.429,83 10.534,84 55.827,85 14.955,86 0.248,87 1.246,88 25.54,89 9.874,90 33.811,91 13.765,92 0.242,93 1.196,94 26.119,95 10.127,96 46.226,97 13.919,98 0.346,99 1.028,100 22.484,101 8.193,102 46.551,103 11.473,104 5,105 40,106 0.236,107 0.509,108 0.648,109 0.746,110 0.79,111 0.79,112 3.303,113 0.976,114 -4.79,115 -4.7,116 -4.41,121 44,123 3,124 1,127 4,144 9,145 3,160 2,176 15,179 2,180 8,187 15,192 10,200 6,205 1,206 13,214 4,219 5,227 9,231 1,232 4,239 15,251 12,255 2,256 3,264 7,269 4,277 1,281 966,282 17.913,283 17.913,284 17.913,285 17.913,286 17.913,287 16.277,288 18.402,289 10.688,290 18.084,291 14.312,292 14.312,293 14.312,294 14.312,295 14.312,296 11.821,297 20.885,298 5.093,299 14.549,300 4.243,301 2.623,302 1.798,303 1.222,304 0.96,305 0.96,306 4.005,310 1,311 1,312 1,313 681,314 2.646,317 59.14,318 253.098,321 115.002,325 1.959,326 23.867,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 55,338 308,339 4.586,340 3.952,341 6.964,342 4.291,343 3.302,344 4.146,345 1.349,346 11.689,347 3.263,348 3.941,349 3.256,350 5.695,351 3.689,352 2.726,353 3.457,354 0.916,355 7.794,356 2.634,357 3.626,358 3.018,359 5.612,360 3.475,361 2.479,362 2.821,363 0.8,364 7.32,365 2.471,366 3.514,367 2.572,368 5.491,369 3.191,370 2.228,371 2.65,372 0.172,373 6.869,374 2.139,375 3.441,376 2.429,377 5.322,378 3.066,379 2.045,380 2.625,382 6.426,383 2.093,384 3.167,385 2.236,386 4.952,387 3.003,388 2.026,389 2.239,391 5.853,392 1.949,393 2.836,394 1.82,395 3.714,396 2.428,397 1.432,398 1.952,400 3.079,401 1.425,402 2.787,403 1.514,404 3.618,405 2.381,406 1.39,407 1.881,409 3.028,410 1.376,411 2.5,412 1.35,413 3.594,414 2,415 1,416 1.5,418 2.275,419 1,420 2.48,421 1.261,422 3.434,423 1.984,424 1,425 1.387,427 2.21,428 0.983,429 2.128,430 1.077,431 3.414,432 1.942,433 0.914,434 1,436 2.136,437 0.934,438 2,439 1,440 3.247,441 1.859,442 0.851,443 0.976,445 2.03,446 0.852,447 1.434,448 0.667,449 2.91,450 1.199,451 0.196,452 0.225,454 0.487,455 0.194,456 1.118,457 0.27,458 2.663,459 0.873,460 -0.144,461 -0.174,463 -0.357,464 -0.146,465 0.926,466 -0.03,467 2.343,468 0.463,469 -0.585,470 -0.677,472 -1.318,473 -0.591,474 12.467,475 0.479,476 0.538,477 0.021,478 31.5,479 1.212,480 15,481 0.577,482 16.5,483 0.635,484 22.065,485 0.849,486 27.733,487 0.555,488 21.419,489 0.824,490 6.026,491 0.232,492 6.694,493 0.257,494 0.053,496 0.305,501 0.605,502 1.309,503 0.818,504 1.093,505 0.478,506 0.996,507 0.702,508 1.078,509 0.972,510 1.004,511 0.513,512 1.004,513 0.804,514 1.149,515 0.96,516 1.127,517 0.695,518 1.067,519 1.075,520 1.046,521 1.007,522 1.012,523 0.998,524 1.002,525 1.298,526 0.818,527 1.009,528 0.813,529 1.213,530 0.862,531 0.966,532 0.913,533 1.077,534 1.021,535 0.972,536 1.053,537 1.176,538 1.03,539 1.08,540 1.068,541 1.388,542 1.075,543 1.159,544 0.928,545 1.104,546 0.95,547 1.374,548 1.019,549 4,550 0.111,551 2.667,552 2.299,553 0.996,554 0.556,555 0.489,556 0.301,557 0.125,558 0.111,559 9328,560 21254,561 2.148,562 48,563 1,564 17,569 6,572 1.683,573 2.053,574 3.501,575 -0.836,577 1,582 70.046,583 1.401,584 3.02,585 3.846,586 4.421,587 4.684,588 4.684,589 2.911,590 3.825,591 4.673,592 3.704,593 1203.69,594 8.056,595 15621.5,597 1,599 1,600 282.193,601 1.239,602 4.65,603 0.138,604 0.007,605 0.067,606 0.057,607 0.031,608 0.02,609 0.018,610 0.013,611 0.006,612 0.007,613 0.364,614 0.33,615 1,616 0.465,617 129.641,618 0.015,619 -0.158,620 0.066,621 -0.035,622 0.011,623 0.009,624 0.095,625 0.053,626 -0.039,627 -0.012,628 0.039,629 -0.035,630 0.02,631 -0.14,632 -0.004,633 -0.136,634 0.064,635 -0.08,636 0.062,637 -0.093,638 0.003,639 -0.059,640 0.145,641 -0.038,642 -0.137,643 0.144,644 0.011,645 0.127,646 -0.089,647 0.095,648 -0.06,649 0.067,650 -0.105,651 -0.04,652 -0.09,653 -0.07,654 -0.09,655 -0.114,656 -0.089,657 -0.079,658 -0.146,659 -0.087,660 0.015,661 0.019,662 -0.096,663 0.012,664 -0.137,665 -0.052,666 1.799,667 5.432,668 0.808,669 25.243,670 0.992,671 1.12,672 3.557,673 12.649,674 0.666,675 3.401,676 3.714,677 4.007,678 4.263,679 4.454,680 4.407,681 4.5,682 4.605,683 4.625,684 4.654,685 7.034,686 0.625,687 348.48,688 3.401,689 4.934,690 5.79,691 6.663,692 7.534,693 8.415,694 9.293,695 10.179,696 11.062,697 11.951,698 4,701 1,705 1,715 9,720 3,722 12,741 50,743 14,744 2,745 29,747 53,748 22,749 12,750 3,751 9,752 2,756 4,757 5,767 2,768 1,770 3,772 14,773 8,774 1,777 2,782 2,786 2,789 1,790 1,793 24,794 4,796 4,802 2,805 1,808 0.75,809 2,828 1,829 3,832 1,855 1,859 3,868 26,876 7,880 1,881 2,893 4,896 2,901 12.667,902 8.817,903 5.722,904 3.257,907 2.164,908 1.289,909 0.993,910 4.965,911 9.647,912 3.638,913 4.143,914 4.668,915 5.156,916 5.586,917 5.528,918 5.769,919 5.905,920 5.984,921 5.85,922 0.875,923 40,924 9.713,926 4.22,927 0.026,929 7.66,931 18.989,933 16.235,936 2.16,937 56.167,939 1,940 1,941 282.506,942 120.279,943 6.249,945 50.29,948 120.279,949 332.796,950 6.249,952 19.151,953 85.286,954 59.699,955 12.681,957 282.506,959 282.506,960 126.527,961 50.29,964 211.88,965 120.916,968 22.275,969 104.252,972 282.506,973 56.538,974 120.279,977 282.506,978 34.992,979 91.535,981 50.29,982 282.506,983 56.538,984 120.279,986 0.578,987 0.345,988 0.19,989 0.101,990 20,991 8,992 0.094,993 5,994 1,995 1.095,996 3.967,997 214.848,998 0.095,999 21,1000 104.211,1005 17.144,1006 7.53,1007 3.652,1009 56.538,1010 17.702,1015 2.46,1018 459.324,1019 37,1024 24.864,1028 -0.265,1031 49.578,1032 55.983,1034 0.248,1035 0.535,1036 0.681,1037 0.783,1038 0.83,1039 0.83,1040 4.875,1041 1.39,1042 5.759,1043 3.079,1044 4.394,1045 4.828,1046 1.988,1047 6.564,1048 4.365,1049 6.034,1050 1,1051 7.311,1052 3.028,1053 3.892,1054 4.425,1055 0.57,1056 7.459,1057 3.844,1058 7.312,1059 1,1060 8.969,1061 2.275,1062 5.974,1063 6.865,1064 2.147,1065 10.598,1066 5.908,1067 8.625,1068 0.914,1069 10.691,1070 2.21,1071 6.347,1072 7.326,1073 1.104,1074 12.404,1075 6.268,1076 9.976,1077 0.851,1078 12.457,1079 2.136,1080 7.868,1081 9.232,1082 2.46,1083 15.073,1084 7.772,1085 11.356,1086 0.196,1087 14.255,1088 2.03,1089 8.668,1090 10.131,1091 1.71,1092 17.272,1093 8.561,1094 12.76,1095 -0.144,1096 16.078,1097 0.487,1098 9.966,1099 11.797,1100 2.87,1101 19.796,1102 9.844,1103 3.302,1104 -0.585,1105 17.92,1106 -0.357,1107 10.973,1108 12.932,1109 2.357,1110 22.157,1111 10.843,1112 2.726,1113 11.689,1114 19.779,1115 -1.318,1116 12.188,1117 14.479,1118 3.342,1119 24.636,1120 12.045,1121 2.479,1122 7.794,1123 21.652,1124 4.146,1125 13.293,1126 15.742,1127 3.014,1128 27.058,1129 13.141,1130 2.228,1131 7.32,1132 23.536,1133 3.457,1134 14.482,1135 17.226,1136 3.854,1137 29.524,1138 14.319,1139 2.045,1140 6.869,1141 25.431,1142 2.821,1143 15.632,1144 18.56,1145 3.667,1146 31.969,1147 15.46,1148 2.026,1149 6.426,1150 27.333,1151 2.65,1152 16.816,1153 20.012,1154 4.391,1155 34.429,1156 16.632,1157 1.432,1158 5.853,1159 29.243,1160 2.625,1161 17.986,1162 21.385,1163 4.311,1164 36.883,1165 17.793,1166 8673,1167 13237,1168 19.879,1169 33.296,1170 43.706,1171 45.241,1172 44.209,1173 43.197,1174 43.178,1175 53.717,1176 6.475,1177 122.392,1178 42.622,1179 5.586,1180 5.952,1181 6.766,1182 5.327,1183 5.302,1184 7.146,1185 2.549,1186 18.827,1187 5.263,1188 9.048,1189 1.507,1190 1.56,1191 1.524,1192 1.49,1193 1.489,1194 1.852,1195 0.223,1196 4.22,1197 1.47,1198 4.033,1199 4.062,1200 3.992,1201 3.937,1202 7.447,1203 3.944,1204 3.942,1205 3.98,1206 3.861,1207 3.862,1208 7.408,1209 3.857,1210 3.818,1211 3.865,1212 3.702,1213 3.717,1214 4.758,1215 3.706,1216 3.521,1217 3.584,1218 3.418,1219 3.334,1220 4.686,1221 3.346,1222 3.295,1223 3.35,1224 3.174,1225 3.117,1226 4.324,1227 3.124,1228 3.111,1229 3.206,1230 2.973,1231 2.941,1232 3.987,1233 2.91,1234 3.063,1235 3.132,1236 2.885,1237 2.919,1238 3.749,1239 2.902,1240 3.014,1241 3.021,1242 2.866,1243 2.843,1244 3.674,1245 2.858,1246 0.158,1247 0.136,1248 0.24,1249 0.148,1250 0.114,1251 4.586,1252 0.143,1253 3.952,1254 0.047,1255 6.964,1256 0.403,1257 4.291,1258 0.113,1259 3.302,1260 4.146,1261 1.349,1262 11.689,1263 3.263,1264 1.934,1265 1.896,1266 2.1,1267 2.068,1268 1.482,1269 2.082,1270 1.887,1271 1.868,1272 2.013,1273 1.959,1274 1.165,1275 1.977,1276 1.84,1277 1.79,1278 1.986,1279 1.956,1280 1.085,1281 1.968,1282 1.52,1283 1.462,1284 1.737,1285 1.767,1286 1.011,1287 1.753,1288 1.245,1289 1.193,1290 1.513,1291 1.478,1292 0.825,1293 1.471,1294 1.153,1295 1.064,1296 1.465,1297 1.376,1298 0.691,1299 1.429,1300 1.053,1301 0.995,1302 1.282,1303 1.267,1304 0.439,1305 1.286,1306 1.007,1307 0.994,1308 1.181,1309 1.198,1310 0.266,1311 1.168,1312 4.078,1314 5.389,1315 2.398,1316 6.903,1317 4.949,1318 8.502,1319 7.195,1320 10.144,1328 6.891,1332 0.589,1333 3.925,1340 31.267,1341 70.046,1342 151.021,1343 192.279,1344 221.073,1345 234.193,1346 234.193,1347 46.527,1348 7.483,1349 42.31,1350 42.31,1351 23,1352 12.482,1353 3.907,1354 3.17,1355 38.401,1356 112,1357 104,1358 0.168,1359 190.39,1360 336.38,1361 456.312,1362 19614,1364 17.933,1365 0.69,1366 0.574,1367 17.933,1368 14.934,1369 12.72,1370 0.439,1371 0.325,1372 9.352,1373 12.397,1374 9.162,1375 7.557,1376 12.72,1377 9.437,1378 11.198,1379 0.28,1380 0.183,1381 11.198,1382 7.301,1383 9.842,1384 0.182,1385 0.104,1386 9.842,1387 5.595,1388 8.212,1389 0.117,1390 0.058,1391 8.212,1392 4.029,1393 6.576,1394 0.077,1395 0.035,1396 6.576,1397 2.954,1398 0.271,1399 78.627,1400 0.224,1401 25.629,1402 0.438,1403 138,1404 350.761,1405 147.258,1406 341.714,1407 466.39,1408 320,1409 163,1410 337.907,1411 173.48,1412 344.506,1413 507.78,1414 325,1415 7.097}
{0 CHEMBL106932,1 1.797,2 13.613,3 3.006,4 9.034,5 125.492,6 7.905,7 0.344,8 4.136,9 4.261,10 3.768,11 3.583,12 5.342,13 3.558,14 4.648,15 4.833,16 4.062,17 3.933,18 5.938,19 3.889,20 4.803,21 4.984,22 4.122,23 4.024,24 5.944,25 3.969,26 4.998,27 5.247,28 4.164,29 4.06,30 6.152,31 3.984,32 4.884,33 5.079,34 4.124,35 4.005,36 6.141,37 3.953,38 4.88,39 5.076,40 4.138,41 4.012,42 6.357,43 3.922,44 4.827,45 5.043,46 4.051,47 3.939,48 6.028,49 3.837,50 4.82,51 5.059,52 3.781,53 3.832,54 5.928,55 3.722,56 0.297,57 0.86,58 11.958,59 4.973,60 10.868,61 6.48,62 0.564,63 1.254,64 26.555,65 8.119,66 81.173,67 10.749,68 0.603,69 1.417,70 29.248,71 8.757,72 40.22,73 11.929,74 0.913,75 1.486,76 39.046,77 10.66,78 86.045,79 15.13,80 1.041,81 1.346,82 32.739,83 9.621,84 97.519,85 12.421,86 1.13,87 1.373,88 35.077,89 9.919,90 172.645,91 13.445,92 0.761,93 1.282,94 34.172,95 9.299,96 85.972,97 12.43,98 0.884,99 1.167,100 39.058,101 8.954,102 117.096,103 11.998,104 86,105 43,106 0.295,107 0.587,108 0.764,109 0.792,110 0.81,111 0.821,112 3.471,113 0.994,114 -3.75,115 -3.71,116 -3.53,121 33.3,122 2,126 2,127 4,144 4,146 4,154 2,158 1,168 4,172 1,176 1,179 2,180 6,185 2,187 1,191 1,192 9,195 2,197 5,200 2,205 2,206 6,209 4,210 1,214 1,218 6,222 3,227 3,231 5,232 4,235 5,237 1,239 3,243 2,244 6,249 4,256 5,264 1,268 1,269 8,272 1,277 2,281 1913,282 19.982,283 19.982,284 19.982,285 19.982,286 19.982,287 17.667,288 30.356,289 12.04,290 20.566,291 15.806,292 15.806,293 15.806,294 15.806,295 15.806,296 12.359,297 42.251,298 5.748,299 16.66,300 4.036,301 2.253,302 1.176,303 1,304 0.895,305 0.825,306 4.133,311 1,312 1,313 852,314 4.796,317 106.474,318 123.545,325 1.908,326 42.493,329 0.75,330 0.5,331 0.67,332 0.9,333 1,334 0.5,336 0.62,337 70,338 422,339 4.546,340 4.25,341 6.588,342 4.102,343 3.131,344 4.315,345 3.272,346 10.461,347 3.035,348 4.146,349 3.847,350 6.196,351 3.75,352 2.763,353 3.75,354 2.612,355 8.953,356 2.728,357 4.124,358 3.76,359 5.675,360 3.647,361 2.687,362 3.735,363 2.612,364 7.971,365 2.577,366 3.699,367 2.999,368 5.12,369 3.201,370 2.245,371 3.071,372 1.497,373 6.084,374 2.15,375 3.573,376 2.96,377 5.029,378 3.178,379 2.238,380 2.871,381 0.916,382 5.987,383 2.097,384 3.371,385 2.81,386 4.754,387 3.025,388 2.065,389 2.508,390 0.4,391 5.184,392 1.982,393 3.233,394 2.687,395 4.551,396 2.743,397 1.819,398 2.426,399 0.172,400 4.502,401 1.687,402 2.918,403 2.365,404 4.338,405 2.673,406 1.724,407 1.955,409 4.339,410 1.624,411 2.789,412 2.234,413 3.815,414 2.385,415 1.469,416 1.838,418 3.229,419 1.322,420 2.603,421 1.741,422 3.69,423 2.129,424 1.141,425 1.605,427 2.811,428 1.122,429 2.215,430 1.655,431 3.288,432 1.778,433 0.833,434 1.094,436 1.891,437 0.776,438 1.929,439 1.194,440 3.185,441 1.597,442 0.67,443 0.831,445 1.573,446 0.609,447 1.767,448 1,449 3.061,450 1.576,451 0.595,452 0.677,454 1.363,455 0.585,456 1.298,457 1,458 2.687,459 1.011,460 0.075,461 0.087,463 0.185,464 0.069,465 1,466 0.877,467 2.552,468 0.69,469 -0.257,470 -0.297,472 -0.665,473 -0.241,474 14.4,475 0.465,476 0.918,477 0.03,478 38.25,479 1.234,480 18.5,481 0.597,482 19.75,483 0.637,484 27.952,485 0.902,486 36,487 0.632,488 31.526,489 1.017,490 7.449,491 0.24,492 7.218,493 0.233,494 0.231,496 0.326,501 0.473,502 1.336,503 0.741,504 1.085,505 0.5,506 1.056,507 0.71,508 1.225,509 1.023,510 1.145,511 0.36,512 0.919,513 0.945,514 1.362,515 1.089,516 1.296,517 0.615,518 1.218,519 0.77,520 0.904,521 0.808,522 0.882,523 0.757,524 0.828,525 1.196,526 0.848,527 0.994,528 0.874,529 1.209,530 0.948,531 0.687,532 1.119,533 1.102,534 1.215,535 0.712,536 1.148,537 1.024,538 1.154,539 1.101,540 1.198,541 1.078,542 1.118,543 1.35,544 0.952,545 1.452,546 1.158,547 1.473,548 0.972,549 7.5,550 0.16,551 2.889,552 2.194,553 1.769,554 1.504,555 0.687,556 0.421,557 0.304,558 0.22,559 12787,560 42356,561 1.906,562 45.6,564 18,567 2,568 6,572 1.735,573 1.738,574 3.68,575 0.353,577 1,582 102.433,583 1.797,584 3.58,585 4.657,586 4.833,587 4.938,588 5.008,589 3.063,590 4.696,591 4.922,592 3.917,593 1821.41,594 8.591,595 27792.3,597 1,600 332.475,601 1.557,602 4.851,603 0.234,604 0.006,605 0.067,606 0.052,607 0.04,608 0.036,609 0.018,610 0.013,611 0.011,612 0.008,613 0.485,614 0.33,615 0.75,616 1.46,617 164.892,618 0.224,619 -0.006,620 0.072,621 0.02,622 0.013,623 -0.033,624 0.079,625 -0.059,626 0.033,627 0.011,628 0.27,629 0.112,630 -0.094,631 -0.208,632 -0.135,633 -0.232,634 -0.032,635 -0.224,636 0.102,637 0.061,638 0.185,639 0.081,640 0.072,641 0.16,642 -0.026,643 0.16,644 -0.028,645 0.1,646 -0.095,647 0.006,648 0.316,649 -0.073,650 -0.014,651 -0.112,652 0.375,653 -0.146,654 -0.071,655 -0.127,656 0.011,657 -0.097,658 -0.046,659 -0.113,660 -0.262,661 -0.002,662 -0.188,663 -0.021,664 -0.232,665 0.025,666 2.677,667 4.4,668 0.355,669 36.558,670 1.02,671 1.142,672 2.516,673 6.331,674 0.642,675 3.497,676 3.784,677 3.932,678 4.159,679 4.304,680 4.407,681 4.369,682 4.22,683 4.174,684 4.06,685 8.111,686 0.617,687 450.58,688 3.497,689 5.017,690 5.82,691 6.678,692 7.512,693 8.377,694 9.224,695 10.093,696 10.947,697 11.818,698 10.5,701 1,703 2,707 1,709 2,715 4,718 1,720 6,722 11,734 1,735 2,741 57,743 16,744 1,745 32,747 58,748 19,749 10,750 4,751 2,756 2,757 2,759 1,763 2,772 11,773 8,777 5,779 2,782 4,785 1,786 1,790 1,792 1,793 26,794 9,795 2,796 12,797 1,802 6,808 1,809 5,828 1,829 1,855 1,859 2,860 1,862 1,864 4,868 31,876 4,877 2,879 1,881 1,893 8.8,898 1,899 4,901 17.833,902 11.383,903 6.944,904 3.069,907 2.3,908 1.326,909 0.915,910 9.614,911 9.356,912 3.773,913 4.341,914 4.755,915 5.288,916 5.689,917 6.044,918 6.176,919 6.171,920 6.119,921 5.926,922 0.889,923 42,924 11.465,926 4.726,927 0.026,929 8.113,931 21.094,933 16.098,936 2.613,937 81,940 1,941 282.506,942 135.26,943 67.026,945 111.001,947 32.22,948 103.04,949 393.508,950 67.026,951 45.783,952 6.011,953 37.905,954 38.656,955 40.322,956 10.898,957 314.726,958 101.494,959 282.506,960 170.067,961 111.001,962 32.22,964 282.506,965 9.507,966 101.494,968 43.449,969 79.379,970 47.239,971 32.22,972 282.506,973 178.028,974 135.26,977 282.506,978 62.912,979 86.813,980 35.899,981 127.664,982 282.506,983 178.028,984 135.26,986 0.574,987 0.3,988 0.161,989 0.092,990 16,991 10,992 0.207,993 12,995 1,996 4.17,997 250.066,999 11,1000 145.58,1001 1,1005 24.979,1006 11.932,1007 8.049,1009 166.687,1010 6.166,1013 5.751,1015 1.249,1017 35.899,1018 595.794,1019 42.5,1021 -1.32,1024 45.414,1027 3.964,1028 0.658,1031 58.16,1032 65.109,1034 0.308,1035 0.614,1036 0.798,1037 0.828,1038 0.847,1039 0.859,1040 4.996,1041 1.724,1042 5.808,1043 4.502,1044 4.466,1045 5.027,1046 3.912,1047 6.569,1048 4.378,1049 6.207,1050 1.469,1051 7.343,1052 4.339,1053 4.111,1054 4.997,1055 3.139,1056 7.42,1057 4.01,1058 7.515,1059 1.141,1060 8.977,1061 3.229,1062 6.009,1063 7.2,1064 5.893,1065 10.47,1066 5.855,1067 8.857,1068 0.833,1069 10.669,1070 2.811,1071 6.415,1072 7.958,1073 5.235,1074 12.152,1075 6.255,1076 10.228,1077 0.67,1078 12.4,1079 1.891,1080 7.831,1081 9.68,1082 8.081,1083 14.735,1084 7.626,1085 11.62,1086 0.595,1087 14.16,1088 1.573,1089 8.595,1090 10.79,1091 7.26,1092 16.777,1093 8.379,1094 13.029,1095 0.075,1096 15.94,1097 1.363,1098 9.82,1099 12.333,1100 10.347,1101 19.193,1102 9.568,1103 3.131,1104 -0.257,1105 17.737,1106 0.185,1107 10.763,1108 13.609,1109 9.245,1110 21.394,1111 10.493,1112 2.763,1113 10.461,1114 19.547,1115 -0.665,1116 11.912,1117 15.083,1118 12.655,1119 23.75,1120 11.61,1121 2.687,1122 8.953,1123 21.368,1124 4.315,1125 12.944,1126 16.439,1127 11.203,1128 26.022,1129 12.617,1130 2.245,1131 7.971,1132 23.197,1133 3.75,1134 14.066,1135 17.888,1136 14.987,1137 28.36,1138 13.71,1139 2.238,1140 6.084,1141 25.034,1142 3.735,1143 15.142,1144 19.285,1145 13.146,1146 30.665,1147 14.758,1148 2.065,1149 5.987,1150 26.876,1151 3.071,1152 16.258,1153 20.727,1154 17.333,1155 32.999,1156 15.844,1157 1.819,1158 5.184,1159 28.724,1160 2.871,1161 17.357,1162 22.146,1163 15.079,1164 35.321,1165 16.913,1166 13051,1167 24072,1168 19.997,1169 36.568,1170 47.295,1171 51.551,1172 48.707,1173 46.9,1174 46.912,1175 61.525,1176 22.967,1177 129.068,1178 44.728,1179 5.468,1180 6.25,1181 6.355,1182 5.214,1183 5.131,1184 7.315,1185 6.545,1186 17.29,1187 5.035,1188 21.597,1189 1.478,1190 1.611,1191 1.522,1192 1.466,1193 1.466,1194 1.923,1195 0.718,1196 4.033,1197 1.398,1198 4.063,1199 4.092,1200 4.052,1201 3.901,1202 7.819,1203 3.923,1204 3.942,1205 3.955,1206 3.97,1207 3.803,1208 7.811,1209 3.811,1210 3.675,1211 3.727,1212 3.72,1213 3.468,1214 6.999,1215 3.455,1216 3.619,1217 3.67,1218 3.655,1219 3.441,1220 6.999,1221 3.399,1222 3.567,1223 3.639,1224 3.526,1225 3.287,1226 5.035,1227 3.3,1228 3.509,1229 3.576,1230 3.374,1231 3.142,1232 4.81,1233 3.234,1234 3.318,1235 3.353,1236 3.321,1237 2.986,1238 4.55,1239 3.03,1240 3.069,1241 3.144,1242 3.032,1243 2.871,1244 4.272,1245 2.871,1246 0.142,1247 0.133,1248 0.206,1249 0.128,1250 0.098,1251 4.546,1252 0.135,1253 4.25,1254 0.102,1255 6.588,1256 0.327,1257 4.102,1258 0.095,1259 3.131,1260 4.315,1261 3.272,1262 10.461,1263 3.035,1264 1.944,1265 1.918,1266 2.003,1267 2.148,1268 1.168,1269 2.093,1270 1.648,1271 1.593,1272 1.868,1273 1.882,1274 1.062,1275 1.881,1276 1.608,1277 1.571,1278 1.843,1279 1.858,1280 1.032,1281 1.83,1282 1.589,1283 1.525,1284 1.742,1285 1.807,1286 0.902,1287 1.783,1288 1.44,1289 1.381,1290 1.662,1291 1.746,1292 0.852,1293 1.678,1294 1.297,1295 1.256,1296 1.526,1297 1.643,1298 0.657,1299 1.627,1300 1.261,1301 1.214,1302 1.417,1303 1.53,1304 0.469,1305 1.534,1306 1.087,1307 1.048,1308 1.417,1309 1.476,1310 0.469,1311 1.415,1312 4.174,1314 5.468,1315 2.398,1316 6.921,1317 4.595,1318 8.462,1319 6.555,1320 10.064,1322 7.388,1328 2.5,1329 5.598,1331 1.613,1333 2.021,1340 35.157,1341 102.433,1342 204.036,1343 265.455,1344 275.455,1345 281.455,1346 285.455,1347 104.52,1348 7.056,1349 144.44,1350 169.74,1351 11,1352 12.364,1353 4.087,1354 3.524,1355 73.285,1356 147,1357 161,1358 0.233,1359 226.697,1360 398.08,1361 544.9,1362 11000,1364 22.966,1365 0.741,1366 0.603,1367 23.319,1368 18.693,1369 14.668,1370 0.458,1371 0.331,1372 9.342,1373 13.231,1374 8.864,1375 7.476,1376 15.168,1377 10.602,1378 13.591,1379 0.316,1380 0.192,1381 14.089,1382 8.262,1383 9.33,1384 0.187,1385 0.098,1386 9.886,1387 4.884,1388 7.62,1389 0.121,1390 0.053,1391 8.128,1392 3.357,1393 5.704,1394 0.078,1395 0.031,1396 6.218,1397 2.253,1398 0.378,1399 99.763,1400 0.224,1401 29.762,1402 0.609,1403 150,1404 576.784,1405 192.08,1406 563.178,1407 728.19,1408 516,1409 168,1410 512.924,1411 207.345,1412 514.498,1413 727.95,1414 473,1415 6.357}
{0 CHEMBL106936,1 1.74,2 14.765,3 4.777,4 22.822,5 138.349,6 7.961,7 0.472,8 4.207,9 4.323,10 3.851,11 3.713,12 5.392,13 3.683,14 4.72,15 4.886,16 4.147,17 4.084,18 5.993,19 4.031,20 4.917,21 5.102,22 4.202,23 4.185,24 5.999,25 4.108,26 5.073,27 5.312,28 4.219,29 4.189,30 6.194,31 4.095,32 4.991,33 5.195,34 4.174,35 4.128,36 6.154,37 4.061,38 4.99,39 5.192,40 4.217,41 4.13,42 6.435,43 4.042,44 4.869,45 5.066,46 4.175,47 4.084,48 6.028,49 3.997,50 4.923,51 5.145,52 4.028,53 4.035,54 6.075,55 3.946,56 0.266,57 0.917,58 12.302,59 5.527,60 11.342,61 6.945,62 0.507,63 1.406,64 26.838,65 9.454,66 76.998,67 11.73,68 0.531,69 1.63,70 32.118,71 11.3,72 39.629,73 14.561,74 0.785,75 1.736,76 40.626,77 12.913,78 82.087,79 17.409,80 0.951,81 1.576,82 36.04,83 11.257,84 90.222,85 14.125,86 1.222,87 1.588,88 39.133,89 11.467,90 194.129,91 14.828,92 0.581,93 1.477,94 33.888,95 10.79,96 73.299,97 13.369,98 0.72,99 1.466,100 40.358,101 11.378,102 97.092,103 14.076,104 47,105 48,106 0.279,107 0.559,108 0.723,109 0.808,110 0.831,111 0.836,112 3.56,113 0.981,114 -4.38,115 -4.32,116 -4.07,121 37.7,126 2,127 5,144 9,145 1,146 4,154 2,168 4,176 7,179 2,180 4,185 3,187 6,191 1,192 8,195 2,197 5,200 5,205 1,206 5,209 4,210 1,211 2,214 2,218 4,219 1,222 2,224 1,227 4,231 4,232 6,235 5,237 2,239 5,244 9,249 4,251 3,256 11,261 2,264 2,268 1,269 12,272 1,274 1,277 3,281 2554,282 22.551,283 22.551,284 22.551,285 22.551,286 22.551,287 19.874,288 33.58,289 13.692,290 23.098,291 17.806,292 17.806,293 17.806,294 17.806,295 17.806,296 13.771,297 52.118,298 6.549,299 18.626,300 4.191,301 2.444,302 1.423,303 0.89,304 0.746,305 0.713,306 4.24,312 1,313 1048,314 4.528,317 116.196,318 264.033,325 2.131,326 43.038,329 1,330 0.5,331 0.83,332 0.8,333 0.5,334 0.67,335 0.5,336 0.69,337 75.5,338 502,339 4.545,340 4.25,341 6.588,342 4.101,343 3.132,344 4.314,345 3.272,346 10.462,347 3.034,348 4.145,349 3.847,350 6.196,351 3.75,352 2.763,353 3.749,354 2.612,355 8.954,356 2.728,357 4.124,358 3.76,359 5.675,360 3.653,361 2.692,362 3.735,363 2.612,364 7.971,365 2.585,366 3.896,367 2.999,368 5.349,369 3.499,370 2.507,371 3.444,372 0.916,373 6.977,374 2.486,375 3.62,376 2.898,377 5.1,378 3.178,379 2.244,380 3.04,381 0.657,382 6.084,383 2.097,384 3.371,385 2.731,386 5.029,387 3.059,388 2.098,389 2.508,390 0.4,391 5.923,392 2.014,393 3.264,394 2.677,395 4.682,396 2.773,397 1.843,398 2.469,399 0.172,400 4.642,401 1.718,402 2.925,403 2.366,404 4.338,405 2.683,406 1.745,407 2.086,409 4.34,410 1.626,411 2.914,412 2.235,413 3.82,414 2.484,415 1.509,416 1.955,418 3.246,419 1.476,420 2.787,421 1.754,422 3.69,423 2.376,424 1.442,425 1.839,427 3.122,428 1.318,429 2.603,430 1.691,431 3.638,432 2.127,433 1.14,434 1.605,436 2.808,437 1.121,438 2.5,439 1.563,440 3.288,441 2,442 1,443 1.5,445 2.136,446 1,447 2.215,448 1.191,449 3.247,450 1.778,451 0.833,452 1.094,454 1.892,455 0.776,456 1.955,457 1,458 3.211,459 1.602,460 0.67,461 0.837,463 1.575,464 0.616,465 1.859,466 1,467 3.126,468 1.58,469 0.64,470 0.769,472 1.519,473 0.6,474 16,475 0.471,476 0.843,477 0.025,478 44.75,479 1.316,480 23,481 0.676,482 21.75,483 0.64,484 28.715,485 0.845,486 38,487 0.623,488 36.982,489 1.088,490 8.742,491 0.257,492 7.588,493 0.223,494 0.146,496 0.294,501 0.477,502 1.247,503 0.731,504 1.001,505 0.489,506 0.98,507 0.715,508 1.145,509 1.087,510 1.138,511 0.368,512 0.976,513 0.808,514 1.269,515 1.024,516 1.247,517 0.545,518 1.186,519 0.729,520 1.01,521 0.848,522 0.978,523 0.741,524 0.938,525 1.254,526 0.869,527 1.015,528 0.865,529 1.209,530 0.94,531 0.866,532 0.969,533 1.102,534 1.03,535 0.917,536 1.001,537 1.064,538 1.172,539 1.067,540 1.171,541 1.134,542 1.063,543 1.24,544 1.042,545 1.324,546 1.165,547 1.323,548 0.952,549 7,550 0.185,551 2.889,552 2.132,553 1.761,554 1.483,555 0.606,556 0.499,557 0.362,558 0.307,559 17633,560 54018,561 1.994,562 44.3,564 25,567 2,572 1.76,573 1.855,574 3.796,575 0.264,582 106.132,583 1.74,584 3.487,585 4.508,586 5.041,587 5.185,588 5.217,589 3.257,590 4.676,591 5.054,592 4.021,593 2255.6,594 8.864,595 36783.8,600 361.775,601 1.447,602 5.01,603 0.194,604 0.005,605 0.06,606 0.045,607 0.037,608 0.033,609 0.014,610 0.012,611 0.009,612 0.008,613 0.419,614 0.17,615 0.63,616 1.05,617 186.136,618 0.208,619 -0.001,620 0.07,621 0.045,622 0.015,623 -0.003,624 0.066,625 0.01,626 -0.058,627 -0.022,628 0.244,629 0.024,630 -0.011,631 -0.196,632 -0.08,633 -0.209,634 0.006,635 -0.186,636 0.121,637 -0.039,638 0.142,639 -0.005,640 0.076,641 0.062,642 -0.088,643 0.119,644 -0.043,645 0.081,646 -0.134,647 0.005,648 0.251,649 0.036,650 0.001,651 0.014,652 0.318,653 -0.03,654 -0.111,655 -0.137,656 0.035,657 -0.073,658 -0.092,659 -0.06,660 -0.177,661 -0.055,662 -0.099,663 -0.042,664 -0.128,665 0.051,666 2.617,667 4.541,668 0.5,669 43.824,670 1.015,671 1.132,672 3.155,673 9.951,674 0.661,675 3.611,676 3.892,677 4.078,678 4.304,679 4.454,680 4.522,681 4.533,682 4.5,683 4.554,684 4.605,685 8.613,686 0.634,687 485.62,688 3.611,689 5.13,690 5.943,691 6.797,692 7.633,693 8.494,694 9.34,695 10.205,696 11.058,697 11.925,698 8.2,701 1,703 2,709 2,715 9,718 1,720 7,722 17,734 2,735 2,741 61,743 21,744 2,745 36,747 63,748 23,749 16,750 5,751 7,756 3,757 3,772 16,773 7,777 4,779 2,782 4,792 1,793 27,794 8,795 2,796 11,797 1,802 5,808 1,809 5,828 1,829 2,855 1,859 3,860 1,862 1,864 2,868 34,876 5,877 2,879 1,881 1,893 8.2,898 1,899 4,901 18.333,902 11.35,903 7.611,904 3.331,907 2.821,908 1.378,909 0.946,910 9.625,911 10.284,912 3.902,913 4.469,914 4.934,915 5.462,916 5.868,917 6.101,918 6.253,919 6.334,920 6.528,921 6.821,922 0.9,923 47,924 12.601,926 5.286,927 0.026,929 8.015,931 23.454,933 18.434,936 2.515,937 85.5,941 294.278,942 167.525,943 50.486,945 111.001,947 32.22,948 135.306,949 405.279,950 50.486,951 28.133,952 8.116,953 85.286,954 36.022,955 26.844,956 10.898,957 326.497,958 101.494,959 294.278,960 185.792,961 111.001,962 32.22,964 294.278,965 9.507,966 101.494,968 11.241,969 127.189,970 47.362,971 32.22,972 294.278,973 161.487,974 167.525,977 294.278,978 65.446,979 116.543,980 36.022,981 111.001,982 294.278,983 161.487,984 167.525,986 0.571,987 0.311,988 0.169,989 0.092,990 19,991 10,992 0.206,993 13,995 1,996 4.536,997 291.122,999 17,1000 162.974,1001 1,1005 25.875,1006 12.647,1007 7.923,1009 150.147,1010 15.749,1013 5.78,1015 2.492,1017 36.022,1018 623.29,1019 48.5,1021 -1.23,1024 46.126,1031 61.942,1032 69.026,1034 0.293,1035 0.588,1036 0.76,1037 0.85,1038 0.874,1039 0.88,1040 5.113,1041 1.745,1042 5.911,1043 4.642,1044 4.575,1045 5.156,1046 3.861,1047 6.663,1048 4.498,1049 6.309,1050 1.509,1051 7.434,1052 4.34,1053 4.111,1054 5.007,1055 3.025,1056 7.473,1057 4.021,1058 7.604,1059 1.442,1060 9.058,1061 3.246,1062 6.107,1063 7.322,1064 5.878,1065 10.539,1066 5.973,1067 8.936,1068 1.14,1069 10.743,1070 3.122,1071 6.447,1072 7.993,1073 5.197,1074 12.201,1075 6.301,1076 10.3,1077 1,1078 12.468,1079 2.808,1080 7.917,1081 9.789,1082 8.078,1083 14.78,1084 7.735,1085 11.686,1086 0.833,1087 14.222,1088 2.136,1089 8.641,1090 10.833,1091 7.249,1092 16.809,1093 8.441,1094 13.09,1095 0.67,1096 15.997,1097 1.892,1098 9.892,1099 12.422,1100 10.347,1101 19.218,1102 9.661,1103 3.132,1104 0.64,1105 17.789,1106 1.575,1107 10.809,1108 13.651,1109 9.241,1110 21.412,1111 10.554,1112 2.763,1113 10.462,1114 19.594,1115 1.519,1116 11.969,1117 15.149,1118 12.655,1119 23.763,1120 11.684,1121 2.692,1122 8.954,1123 21.409,1124 4.314,1125 12.984,1126 16.474,1127 11.202,1128 26.032,1129 12.67,1130 2.507,1131 7.971,1132 23.234,1133 3.749,1134 14.109,1135 17.935,1136 14.987,1137 28.366,1138 13.766,1139 2.244,1140 6.977,1141 25.066,1142 3.735,1143 15.175,1144 19.312,1145 13.145,1146 30.67,1147 14.8,1148 2.098,1149 6.084,1150 26.904,1151 3.444,1152 16.29,1153 20.758,1154 17.333,1155 33.002,1156 15.884,1157 1.843,1158 5.923,1159 28.747,1160 3.04,1161 17.382,1162 22.165,1163 15.079,1164 35.324,1165 16.944,1166 17314,1167 30624,1168 23.463,1169 40.324,1170 53.027,1171 57.709,1172 54.029,1173 52.665,1174 52.687,1175 70.092,1176 21.287,1177 143.731,1178 50.548,1179 5.468,1180 6.25,1181 6.39,1182 5.214,1183 5.132,1184 7.314,1185 6.545,1186 17.291,1187 5.034,1188 19.776,1189 1.473,1190 1.603,1191 1.501,1192 1.463,1193 1.464,1194 1.947,1195 0.591,1196 3.993,1197 1.404,1198 4.071,1199 4.1,1200 4.056,1201 3.923,1202 7.819,1203 3.939,1204 3.942,1205 3.957,1206 3.97,1207 3.823,1208 7.811,1209 3.822,1210 3.895,1211 3.927,1212 3.825,1213 3.803,1214 6.999,1215 3.81,1216 3.66,1217 3.689,1218 3.719,1219 3.464,1220 6.999,1221 3.405,1222 3.568,1223 3.64,1224 3.65,1225 3.288,1226 5.035,1227 3.305,1228 3.512,1229 3.579,1230 3.387,1231 3.182,1232 4.775,1233 3.249,1234 3.383,1235 3.438,1236 3.35,1237 3.062,1238 4.656,1239 3.108,1240 3.188,1241 3.241,1242 3.138,1243 2.955,1244 4.272,1245 2.97,1246 0.126,1247 0.118,1248 0.183,1249 0.114,1250 0.087,1251 4.545,1252 0.12,1253 4.25,1254 0.091,1255 6.588,1256 0.291,1257 4.101,1258 0.084,1259 3.132,1260 4.314,1261 3.272,1262 10.462,1263 3.034,1264 1.96,1265 1.932,1266 2.055,1267 2.151,1268 1.194,1269 2.102,1270 1.89,1271 1.862,1272 1.986,1273 1.989,1274 1.135,1275 2,1276 1.648,1277 1.592,1278 1.868,1279 1.882,1280 1.054,1281 1.881,1282 1.601,1283 1.57,1284 1.745,1285 1.845,1286 1.031,1287 1.787,1288 1.444,1289 1.386,1290 1.664,1291 1.747,1292 0.853,1293 1.686,1294 1.325,1295 1.279,1296 1.53,1297 1.647,1298 0.667,1299 1.63,1300 1.28,1301 1.219,1302 1.516,1303 1.568,1304 0.656,1305 1.539,1306 1.209,1307 1.161,1308 1.417,1309 1.529,1310 0.469,1311 1.528,1312 4.29,1314 5.58,1315 2.398,1316 7.04,1317 4.595,1318 8.587,1319 6.555,1320 10.188,1322 3.95,1328 2.892,1329 6.085,1331 1.628,1333 2.028,1340 38.663,1341 106.132,1342 212.716,1343 274.981,1344 307.51,1345 316.265,1346 318.265,1347 94.688,1348 7.463,1349 132.08,1350 157.38,1351 17,1352 12.474,1353 4.459,1354 3.755,1355 67.476,1356 169,1357 194,1358 0.183,1359 245.024,1360 427.74,1361 589.618,1362 19194,1364 24.501,1365 0.721,1366 0.584,1367 24.855,1368 19.839,1369 16.329,1370 0.454,1371 0.327,1372 10.523,1373 14.969,1374 10.121,1375 8.453,1376 16.829,1377 11.772,1378 14.701,1379 0.306,1380 0.186,1381 15.199,1382 8.93,1383 10.886,1384 0.188,1385 0.1,1386 11.442,1387 5.81,1388 8.998,1389 0.123,1390 0.055,1391 9.506,1392 4.03,1393 6.765,1394 0.08,1395 0.032,1396 7.28,1397 2.707,1398 0.296,1399 109.28,1400 0.206,1401 32.165,1402 0.478,1403 168,1404 595.139,1405 208.359,1406 584.521,1407 762.83,1408 538,1409 190,1410 537.163,1411 227.763,1412 541.402,1413 771.98,1414 501,1415 6.161}
{0 CHEMBL107254,1 1.869,2 14.706,3 5.141,4 26.426,5 132.245,6 8.441,7 0.472,8 4.171,9 4.282,10 3.858,11 3.667,12 5.414,13 3.654,14 4.676,15 4.832,16 4.175,17 4.034,18 6.034,19 4.004,20 4.878,21 5.053,22 4.229,23 4.128,24 6.072,25 4.081,26 5.021,27 5.252,28 4.232,29 4.141,30 6.213,31 4.071,32 4.922,33 5.104,34 4.207,35 4.099,36 6.169,37 4.053,38 4.955,39 5.146,40 4.26,41 4.105,42 6.464,43 4.038,44 4.863,45 5.056,46 4.177,47 4.02,48 6.118,49 3.953,50 4.827,51 5.043,52 4.025,53 3.925,54 6.06,55 3.862,56 0.309,57 0.942,58 10.42,59 5.219,60 9.8,61 6.122,62 0.599,63 1.437,64 24.38,65 8.991,66 79.45,67 10.438,68 0.745,69 1.679,70 29.455,71 10.48,72 53.174,73 12.432,74 1.005,75 1.692,76 38.466,77 12.212,78 102.661,79 15.705,80 1.079,81 1.519,82 31.58,83 10.613,84 99.671,85 12.575,86 1.253,87 1.588,88 36.011,89 11.091,90 179.364,91 13.781,92 0.847,93 1.476,94 33.166,95 10.4,96 105.99,97 12.063,98 0.873,99 1.45,100 37.326,101 10.414,102 98.96,103 12.178,104 60,105 49,106 0.302,107 0.588,108 0.754,109 0.815,110 0.832,111 0.843,112 3.56,113 0.951,114 -4.28,115 -4.22,116 -3.98,121 37.9,126 2,127 4,144 8,146 6,154 2,168 4,176 3,179 2,180 4,185 4,187 2,191 1,192 8,195 2,197 5,200 4,205 1,206 5,209 4,210 1,214 3,218 4,219 2,222 2,227 5,231 4,232 8,235 5,237 3,239 3,244 8,249 4,256 8,264 1,268 1,269 8,272 1,277 4,281 2514,282 22.292,283 22.292,284 22.292,285 22.292,286 22.292,287 19.589,288 34.983,289 13.333,290 22.902,291 17.789,292 17.789,293 17.789,294 17.789,295 17.789,296 13.719,297 54.432,298 6.385,299 18.748,300 3.989,301 2.223,302 1.198,303 0.819,304 0.716,305 0.647,306 4.238,312 1,313 1042,314 4.472,317 115.987,318 259.18,325 2.076,326 52.568,329 1,330 0.5,331 0.83,332 0.8,333 0.5,334 0.67,335 0.5,336 0.69,337 77,338 500,339 4.549,340 4.25,341 6.594,342 4.108,343 3.139,344 4.317,345 3.272,346 10.489,347 3.039,348 4.157,349 3.847,350 6.205,351 3.75,352 2.763,353 3.759,354 2.612,355 9.008,356 2.728,357 4.124,358 3.76,359 5.675,360 3.684,361 2.724,362 3.735,363 2.612,364 7.971,365 2.611,366 4,367 2.999,368 5.452,369 3.528,370 2.564,371 3.605,372 0.916,373 7.21,374 2.467,375 3.629,376 2.97,377 5.088,378 3.178,379 2.244,380 3.047,381 0.4,382 6.084,383 2.097,384 3.422,385 2.851,386 5.029,387 3.104,388 2.16,389 2.71,390 0.4,391 5.992,392 2.035,393 3.37,394 2.696,395 4.889,396 2.957,397 2.011,398 2.507,399 0.172,400 5.547,401 1.888,402 3.17,403 2.547,404 4.592,405 2.709,406 1.794,407 2.373,409 4.42,410 1.638,411 2.918,412 2.251,413 4.338,414 2.629,415 1.668,416 1.954,418 4.335,419 1.596,420 2.779,421 2.153,422 3.814,423 2.371,424 1.453,425 1.828,427 3.222,428 1.31,429 2.603,430 1.732,431 3.69,432 2.119,433 1.13,434 1.605,436 2.803,437 1.114,438 2.5,439 1.62,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.215,448 1.171,449 3.288,450 1.778,451 0.833,452 1.094,454 1.891,455 0.776,456 1.919,457 1,458 3.178,459 1.587,460 0.67,461 0.828,463 1.573,464 0.606,465 1.598,466 1,467 3.034,468 1.237,469 0.295,470 0.37,472 0.753,473 0.275,474 15.786,475 0.464,476 0.949,477 0.028,478 45,479 1.324,480 23,481 0.676,482 22,483 0.647,484 28.417,485 0.836,486 38.214,487 0.659,488 38.243,489 1.125,490 8.814,491 0.259,492 7.409,493 0.218,494 0.166,496 0.329,499 1,501 0.49,502 1.144,503 0.689,504 0.982,505 0.497,506 0.951,507 0.689,508 1.133,509 1.04,510 1.163,511 0.402,512 0.964,513 0.919,514 1.205,515 1.055,516 1.216,517 0.67,518 1.167,519 0.748,520 0.881,521 0.849,522 0.927,523 0.751,524 0.899,525 1.028,526 0.737,527 0.984,528 0.878,529 1.011,530 0.964,531 0.717,532 0.954,533 1.063,534 1.106,535 0.701,536 1.059,537 1.098,538 1.067,539 1.092,540 1.147,541 1.181,542 1.063,543 1.1,544 1.033,545 1.329,546 1.222,547 1.133,548 0.959,549 8,550 0.206,551 3.111,552 2.319,553 1.952,554 1.594,555 0.705,556 0.582,557 0.403,558 0.297,559 17285,560 59982,561 1.977,562 41.4,564 22,567 2,572 1.759,573 1.821,574 3.774,575 0.293,582 108.397,583 1.869,584 3.635,585 4.66,586 5.039,587 5.142,588 5.211,589 3.223,590 4.558,591 5.054,592 4.001,593 2244.62,594 8.863,595 36303.4,600 339.763,601 1.508,602 4.999,603 0.222,604 0.006,605 0.063,606 0.048,607 0.041,608 0.034,609 0.015,610 0.015,611 0.011,612 0.008,613 0.464,614 0.17,615 0.63,616 1.078,617 185.694,618 0.146,619 -0.016,620 0.061,621 0.048,622 0.001,623 -0.001,624 0.044,625 -0.075,626 -0.042,627 -0.047,628 0.209,629 0.03,630 -0.084,631 -0.144,632 -0.121,633 -0.19,634 -0.027,635 -0.187,636 0.066,637 0.013,638 0.147,639 0.047,640 0.035,641 0.119,642 -0.056,643 0.123,644 -0.049,645 0.079,646 -0.111,647 -0.007,648 0.209,649 -0.046,650 0.007,651 -0.059,652 0.278,653 -0.071,654 -0.158,655 -0.161,656 0.009,657 -0.071,658 -0.135,659 -0.064,660 -0.114,661 -0.05,662 -0.076,663 -0.073,664 -0.085,665 0.065,666 2.702,667 5.17,668 0.5,669 42.533,670 1.027,671 1.137,672 3.048,673 9.288,674 0.664,675 3.611,676 3.912,677 4.094,678 4.331,679 4.511,680 4.595,681 4.605,682 4.625,683 4.644,684 4.682,685 8.505,686 0.647,687 489.58,688 3.611,689 5.142,690 5.958,691 6.821,692 7.662,693 8.531,694 9.383,695 10.255,696 11.113,697 11.987,698 8.6,701 1,703 1,706 1,709 2,715 8,718 1,720 8,722 17,734 2,735 2,740 1,741 58,743 21,744 2,745 36,747 60,748 22,749 16,750 6,751 6,756 3,757 3,772 16,773 6,777 4,779 2,782 4,791 1,792 1,793 24,794 9,795 2,796 12,797 1,802 5,808 1,809 5,828 1,829 2,855 1,859 3,860 1,862 1,864 2,866 1,868 34,876 4,877 2,879 1,881 1,892 1,893 8.6,898 1,899 4,901 18.667,902 10.91,903 7.528,904 3.123,907 2.878,908 1.384,909 0.948,910 9.156,911 10.379,912 3.902,913 4.491,914 4.958,915 5.503,916 5.947,917 6.229,918 6.42,919 6.667,920 6.875,921 7.174,922 0.9,923 48,924 12.621,926 5.389,927 0.026,929 8.196,931 23.059,933 18.145,936 2.696,937 91.667,941 258.964,942 164.635,943 50.486,945 111.001,946 14.96,947 32.22,948 132.416,949 369.965,950 65.446,951 28.133,952 6.011,953 75.81,954 18.011,955 53.547,956 25.858,957 291.184,958 101.494,959 258.964,960 182.902,961 125.961,962 32.22,964 273.924,965 9.507,966 101.494,968 27.146,969 126.405,970 29.351,971 32.22,972 273.924,973 161.487,974 164.635,977 258.964,978 72.033,979 107.067,980 36.022,981 125.961,982 258.964,983 176.447,984 164.635,986 0.578,987 0.313,988 0.167,989 0.095,990 20,991 11,992 0.2,993 12,995 1,996 4.478,997 294.68,999 17,1000 162.974,1001 1,1005 25.811,1006 12.06,1007 7.61,1009 165.107,1010 11.348,1013 5.757,1015 1.019,1017 36.022,1018 600.047,1019 48.5,1021 -1.369,1024 46.021,1031 59.571,1032 65.95,1034 0.319,1035 0.621,1036 0.795,1037 0.86,1038 0.878,1039 0.89,1040 5.125,1041 1.794,1042 5.943,1043 5.547,1044 4.595,1045 5.179,1046 3.849,1047 6.708,1048 4.505,1049 6.336,1050 1.668,1051 7.477,1052 4.42,1053 4.205,1054 5.094,1055 3.025,1056 7.532,1057 4.084,1058 7.642,1059 1.453,1060 9.108,1061 4.335,1062 6.146,1063 7.365,1064 5.877,1065 10.59,1066 5.988,1067 8.981,1068 1.13,1069 10.795,1070 3.222,1071 6.524,1072 8.064,1073 5.197,1074 12.24,1075 6.341,1076 10.349,1077 1,1078 12.519,1079 2.803,1080 7.965,1081 9.839,1082 8.078,1083 14.823,1084 7.752,1085 11.738,1086 0.833,1087 14.27,1088 2.275,1089 8.705,1090 10.895,1091 7.249,1092 16.842,1093 8.469,1094 13.144,1095 0.67,1096 16.042,1097 1.891,1098 9.943,1099 12.472,1100 10.347,1101 19.256,1102 9.679,1103 3.139,1104 0.295,1105 17.83,1106 1.573,1107 10.868,1108 13.705,1109 9.241,1110 21.446,1111 10.577,1112 2.763,1113 10.489,1114 19.632,1115 0.753,1116 12.021,1117 15.197,1118 12.655,1119 23.801,1120 11.704,1121 2.724,1122 9.008,1123 21.444,1124 4.317,1125 13.039,1126 16.523,1127 11.202,1128 26.068,1129 12.693,1130 2.564,1131 7.971,1132 23.266,1133 3.759,1134 14.162,1135 17.979,1136 14.987,1137 28.406,1138 13.788,1139 2.244,1140 7.21,1141 25.096,1142 3.735,1143 15.229,1144 19.356,1145 13.145,1146 30.71,1147 14.824,1148 2.16,1149 6.084,1150 26.932,1151 3.605,1152 16.343,1153 20.799,1154 17.333,1155 33.045,1156 15.91,1157 2.011,1158 5.992,1159 28.774,1160 3.047,1161 17.436,1162 22.205,1163 15.079,1164 35.368,1165 16.972,1166 17039,1167 32084,1168 23.175,1169 38.5,1170 53.489,1171 58.294,1172 54.893,1173 53.014,1174 52.989,1175 70.575,1176 20.772,1177 147.372,1178 50.446,1179 5.472,1180 6.25,1181 6.36,1182 5.221,1183 5.139,1184 7.317,1185 6.545,1186 17.331,1187 5.039,1188 21.429,1189 1.486,1190 1.619,1191 1.525,1192 1.473,1193 1.472,1194 1.96,1195 0.577,1196 4.094,1197 1.401,1198 4.074,1199 4.103,1200 4.06,1201 3.927,1202 8.201,1203 3.945,1204 3.942,1205 3.956,1206 3.97,1207 3.803,1208 7.819,1209 3.812,1210 3.88,1211 3.91,1212 3.833,1213 3.783,1214 7.811,1215 3.789,1216 3.656,1217 3.685,1218 3.719,1219 3.463,1220 6.999,1221 3.403,1222 3.567,1223 3.64,1224 3.648,1225 3.287,1226 6.999,1227 3.302,1228 3.511,1229 3.577,1230 3.381,1231 3.149,1232 5.035,1233 3.239,1234 3.333,1235 3.366,1236 3.339,1237 2.996,1238 4.756,1239 3.046,1240 3.087,1241 3.156,1242 3.08,1243 2.89,1244 4.569,1245 2.89,1246 0.126,1247 0.118,1248 0.183,1249 0.114,1250 0.087,1251 4.549,1252 0.12,1253 4.25,1254 0.091,1255 6.594,1256 0.291,1257 4.108,1258 0.084,1259 3.139,1260 4.317,1261 3.272,1262 10.489,1263 3.039,1264 1.964,1265 1.937,1266 2.032,1267 2.152,1268 1.176,1269 2.102,1270 1.845,1271 1.819,1272 1.94,1273 1.969,1274 1.084,1275 1.961,1276 1.648,1277 1.592,1278 1.868,1279 1.882,1280 1.033,1281 1.881,1282 1.6,1283 1.57,1284 1.742,1285 1.841,1286 1.011,1287 1.785,1288 1.441,1289 1.383,1290 1.662,1291 1.747,1292 0.852,1293 1.679,1294 1.298,1295 1.259,1296 1.526,1297 1.644,1298 0.657,1299 1.627,1300 1.264,1301 1.214,1302 1.417,1303 1.53,1304 0.469,1305 1.534,1306 1.101,1307 1.063,1308 1.308,1309 1.482,1310 0.364,1311 1.416,1312 4.29,1314 5.595,1315 2.398,1316 7.066,1317 4.595,1318 8.623,1319 6.555,1320 10.233,1322 3.918,1324 13.17,1328 2.377,1329 5.826,1331 1.589,1333 2.01,1340 37.519,1341 108.397,1342 210.85,1343 270.253,1344 292.253,1345 298.253,1346 302.253,1347 106.178,1348 7.501,1349 132.08,1350 157.38,1351 17,1352 12.53,1353 4.459,1354 3.755,1355 67.499,1356 167,1357 194,1358 0.186,1359 236.63,1360 416.51,1361 569.136,1362 19693,1363 1.7,1364 24.665,1365 0.725,1366 0.572,1367 24.148,1368 19.433,1369 16.223,1370 0.451,1371 0.317,1372 10.143,1373 14.747,1374 9.779,1375 8.14,1376 16.329,1377 11.415,1378 14.982,1379 0.306,1380 0.178,1381 14.858,1382 8.723,1383 10.987,1384 0.186,1385 0.095,1386 11.132,1387 5.608,1388 9.004,1389 0.12,1390 0.052,1391 9.37,1392 3.884,1393 6.968,1394 0.077,1395 0.029,1396 7.192,1397 2.626,1398 0.301,1399 109.463,1400 0.208,1401 32.065,1402 0.488,1403 170,1404 685.25,1405 214.523,1406 642.752,1407 830.18,1408 590,1409 193,1410 581.059,1411 233.839,1412 577.647,1413 825.42,1414 535,1415 6.167}
{0 CHEMBL1076243,1 1.532,2 18.773,3 7.371,4 54.333,5 179.617,6 7.115,7 0.34,8 4.552,9 4.676,10 4.095,11 4.118,12 5.529,13 4.049,14 5.143,15 5.331,16 4.448,17 4.529,18 6.091,19 4.415,20 5.46,21 5.7,22 4.453,23 4.664,24 6.336,25 4.508,26 5.504,27 5.76,28 4.476,29 4.615,30 6.385,31 4.459,32 5.452,33 5.708,34 4.387,35 4.533,36 6.467,37 4.405,38 5.422,39 5.668,40 4.384,41 4.538,42 6.461,43 4.408,44 5.425,45 5.664,46 4.422,47 4.539,48 6.472,49 4.413,50 5.406,51 5.645,52 4.369,53 4.519,54 6.423,55 4.391,56 0.052,57 1.24,58 20.816,59 9.264,60 9.631,61 12.298,62 0.434,63 2.059,64 41.169,65 15.988,66 46,67 21.549,68 0.64,69 2.566,70 63.031,71 21.616,72 75.39,73 28.896,74 0.667,75 2.557,76 68.262,77 21.605,78 84.495,79 29.17,80 0.906,81 2.412,82 59.815,83 19.404,84 124.849,85 26.606,86 0.904,87 2.364,88 57.616,89 19.291,90 122.466,91 26.233,92 0.8,93 2.348,94 61.12,95 19.678,96 120.341,97 26.161,98 0.84,99 2.312,100 58.357,101 18.792,102 113.29,103 25.133,104 33,105 61,106 0.229,107 0.511,108 0.736,109 0.858,110 0.878,111 0.878,112 3.809,113 1.101,114 -5.59,115 -5.47,116 -5.1,121 38.9,122 1,123 10,124 1,127 5,129 1,144 9,145 2,146 1,154 2,160 3,176 17,179 1,180 6,183 2,185 4,187 23,192 7,195 2,197 3,200 11,206 11,211 4,214 10,218 2,219 8,222 1,223 1,224 2,227 11,231 2,232 6,235 3,237 3,239 15,243 1,244 8,247 1,249 4,251 14,255 1,256 9,261 5,264 9,269 12,274 8,277 10,281 5730,282 29.869,283 29.869,284 29.869,285 29.869,286 29.869,287 27.516,288 29.885,289 18.468,290 30.465,291 23.246,292 23.246,293 23.246,294 23.246,295 23.246,296 19.589,297 32.145,298 8.899,299 24.218,300 4.96,301 3.068,302 1.559,303 0.745,304 0.608,305 0.608,306 4.503,308 1,313 1757,314 5.431,317 130.348,318 553.176,321 248.657,325 2.829,326 47.327,329 0.5,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.7,337 93.833,338 826,339 4.488,340 3.841,341 6.271,342 3.958,343 3.021,344 4.433,345 2.472,346 9.584,347 2.828,348 3.996,349 3.589,350 6.051,351 3.794,352 2.819,353 3.457,354 1.986,355 8.696,356 2.733,357 3.941,358 3.571,359 5.617,360 3.69,361 2.727,362 3.205,363 1.907,364 7.788,365 2.634,366 3.748,367 3.101,368 5.349,369 3.48,370 2.483,371 3.106,372 0.916,373 6.954,374 2.474,375 3.658,376 3.018,377 5.333,378 3.389,379 2.416,380 2.822,381 0.461,382 6.927,383 2.365,384 3.586,385 2.749,386 5.031,387 3.327,388 2.329,389 2.767,390 0.246,391 6.075,392 2.302,393 3.521,394 2.564,395 4.963,396 3.058,397 2.14,398 2.631,399 0.172,400 5.85,401 1.97,402 3.175,403 2.245,404 4.948,405 3.028,406 2.073,407 2.38,408 0.149,409 5.833,410 1.887,411 3.153,412 2.215,413 4.704,414 2.816,415 1.846,416 2.24,418 5.023,419 1.793,420 3.003,421 2.137,422 4.396,423 2.67,424 1.726,425 2.227,427 4.265,428 1.565,429 2.833,430 1.974,431 4.139,432 2.459,433 1.519,434 1.928,436 3.859,437 1.424,438 2.825,439 1.582,440 3.734,441 2.434,442 1.467,443 1.832,445 3.289,446 1.402,447 2.603,448 1.553,449 3.597,450 2.411,451 1.423,452 1.567,454 3.047,455 1.381,456 2.5,457 1.523,458 3.435,459 2.17,460 1.191,461 1.5,463 2.51,464 1.16,465 2.25,466 1.472,467 3.414,468 2.041,469 1.043,470 1.223,472 2.275,473 1.032,474 21.581,475 0.49,476 0.869,477 0.02,478 45.25,479 1.028,480 18.5,481 0.42,482 26.75,483 0.608,484 53.99,485 1.227,486 49.819,487 0.554,488 35.803,489 0.814,490 8.096,491 0.184,492 13.294,493 0.302,494 0.103,496 0.25,501 0.679,502 1.301,503 0.768,504 1.069,505 0.524,506 1.049,507 0.698,508 1.159,509 0.854,510 1.025,511 0.506,512 1.069,513 1.005,514 1.029,515 1.04,516 1.032,517 0.935,518 1.023,519 1.142,520 1.042,521 0.827,522 0.944,523 1.146,524 0.955,525 1.18,526 0.929,527 0.8,528 0.834,529 1.212,530 0.871,531 1.12,532 0.924,533 0.821,534 0.872,535 1.165,536 0.919,537 1.298,538 1.031,539 0.929,540 0.994,541 1.439,542 0.96,543 1.432,544 0.959,545 0.914,546 0.919,547 1.682,548 0.957,549 8.5,550 0.368,551 3.333,552 2.417,553 1.667,554 1.202,555 0.847,556 0.583,557 0.48,558 0.305,559 40236,560 96102,561 2.046,562 51.1,563 10,564 20,567 2,568 4,569 10,572 1.823,573 1.941,574 4.146,575 0.081,582 137.903,583 1.532,584 3.424,585 4.933,586 5.747,587 5.883,588 5.883,589 3.58,590 5.141,591 5.426,592 4.384,593 4147.73,594 9.614,595 86765.5,600 584.267,601 1.271,602 5.402,603 0.181,604 0.007,605 0.055,606 0.041,607 0.03,608 0.021,609 0.015,610 0.01,611 0.009,612 0.006,613 0.375,614 0.17,615 0.63,616 1.349,617 263.723,618 -0.013,619 -0.065,620 0.045,621 0.009,622 0.003,623 0.018,624 0.114,625 -0.019,626 0.022,627 -0.002,628 0.094,629 -0.052,630 -0.034,631 0.002,632 -0.051,633 -0.02,634 -0.039,635 -0.033,636 -0.045,637 -0.07,638 0.09,639 0.007,640 -0.055,641 0.01,642 0.076,643 0.047,644 0.062,645 0.062,646 0.083,647 0.065,648 0.112,649 0.062,650 0.037,651 0.038,652 0.112,653 0.027,654 0.016,655 -0.05,656 0.02,657 -0.035,658 0.034,659 -0.003,660 -0.064,661 0.031,662 -0.017,663 0.01,664 -0.095,665 -0.016,666 2.197,667 5.961,668 0.477,669 75.031,670 0.994,671 1.126,672 4.365,673 19.051,674 0.657,675 3.871,676 4.127,677 4.304,678 4.511,679 4.682,680 4.691,681 4.779,682 4.836,683 4.844,684 4.875,685 11.094,686 0.606,687 640.36,688 3.871,689 5.38,690 6.184,691 7.022,692 7.844,693 8.689,694 9.521,695 10.369,696 11.208,697 12.06,698 3.3,701 1,705 2,714 2,715 9,719 1,720 3,722 16,740 1,741 90,743 19,744 2,745 47,747 93,748 35,749 14,750 4,751 8,756 4,757 5,758 1,763 1,767 2,768 1,770 11,772 17,773 18,774 1,777 3,782 3,786 3,793 46,794 7,795 2,796 9,797 2,802 3,808 0.75,809 4,828 1,829 3,832 1,843 2,846 1,855 1,859 3,862 1,864 1,865 1,868 44,876 15,877 2,878 1,880 2,881 1,888 1,892 1,893 4.4,896 3,898 1,901 22.667,902 15.843,903 9.972,904 6.037,907 2.465,908 1.306,909 0.949,910 14.615,911 10.533,912 4.078,913 4.551,914 4.978,915 5.485,916 5.927,917 6.1,918 6.419,919 6.688,920 6.528,921 6.627,922 1,923 59,924 16.5,926 6.922,927 0.026,929 7.681,931 32.12,933 26.452,936 2.181,937 95.944,941 517.928,942 191.714,943 39.146,944 39.149,945 86.435,947 31.278,948 160.436,949 643.512,950 39.146,951 8.825,952 74.382,953 85.286,954 92.035,955 23.383,956 2.104,957 549.206,958 39.149,959 517.928,960 199.582,961 86.435,962 70.426,964 400.217,965 204.146,968 86.332,969 113.25,970 39.149,971 31.278,972 517.928,973 125.58,974 230.862,977 517.928,978 97.602,979 97.236,980 36.022,981 125.583,982 517.928,983 125.58,984 230.862,986 0.562,987 0.308,988 0.161,989 0.089,990 23,991 11,992 0.194,993 18,994 1,995 1.095,996 5.572,997 403.584,998 0.095,999 21,1000 230.215,1001 1,1005 34.559,1006 18.608,1007 12.196,1008 2.039,1009 125.58,1010 18.18,1014 1.508,1015 2.883,1017 36.022,1018 874.371,1019 58,1024 38.603,1028 -0.856,1031 89.454,1032 101.331,1034 0.236,1035 0.527,1036 0.76,1037 0.885,1038 0.906,1039 0.906,1040 5.293,1041 2.073,1042 6.125,1043 5.85,1044 4.812,1045 5.239,1046 3.262,1047 6.83,1048 4.733,1049 6.435,1050 1.846,1051 7.613,1052 5.833,1053 4.205,1054 4.913,1055 2.87,1056 7.476,1057 4.065,1058 7.694,1059 1.726,1060 9.196,1061 5.023,1062 6.304,1063 7.278,1064 4.485,1065 10.535,1066 6.15,1067 8.983,1068 1.519,1069 10.833,1070 4.265,1071 6.509,1072 7.817,1073 4.773,1074 12.021,1075 6.292,1076 10.306,1077 1.467,1078 12.508,1079 3.859,1080 8.043,1081 9.677,1082 5.965,1083 14.561,1084 7.81,1085 11.651,1086 1.423,1087 14.208,1088 3.289,1089 8.653,1090 10.666,1091 6.55,1092 16.433,1093 8.353,1094 13.016,1095 1.191,1096 15.927,1097 3.047,1098 9.932,1099 12.316,1100 7.573,1101 18.778,1102 9.61,1103 3.021,1104 1.043,1105 17.661,1106 2.51,1107 10.759,1108 13.55,1109 8.307,1110 20.838,1111 10.367,1112 2.819,1113 9.584,1114 19.408,1115 2.275,1116 11.919,1117 15.106,1118 9.257,1119 23.107,1120 11.495,1121 2.727,1122 8.696,1123 21.165,1124 4.433,1125 12.862,1126 16.469,1127 10.07,1128 25.259,1129 12.367,1130 2.483,1131 7.788,1132 22.93,1133 3.457,1134 13.968,1135 17.984,1136 10.989,1137 27.503,1138 13.432,1139 2.416,1140 6.954,1141 24.703,1142 3.205,1143 14.974,1144 19.411,1145 11.844,1146 29.699,1147 14.367,1148 2.329,1149 6.927,1150 26.483,1151 3.106,1152 16.058,1153 20.909,1154 12.751,1155 31.937,1156 15.402,1157 2.14,1158 6.075,1159 28.268,1160 2.822,1161 17.097,1162 22.368,1163 13.628,1164 34.156,1165 16.372,1166 38377,1167 59767,1168 31.493,1169 59.091,1170 67.913,1171 70.354,1172 69.189,1173 67.721,1174 67.535,1175 82.529,1176 16.62,1177 179.275,1178 64.754,1179 5.488,1180 5.841,1181 6.224,1182 5.071,1183 5.021,1184 7.433,1185 4.214,1186 15.973,1187 4.828,1188 21.292,1189 1.445,1190 1.497,1191 1.472,1192 1.441,1193 1.437,1194 1.756,1195 0.354,1196 3.814,1197 1.378,1198 4.088,1199 4.095,1200 4.348,1201 4.116,1202 7.437,1203 4.06,1204 3.964,1205 4.01,1206 3.875,1207 3.874,1208 7.427,1209 3.867,1210 3.846,1211 3.887,1212 3.802,1213 3.733,1214 7.425,1215 3.725,1216 3.806,1217 3.853,1218 3.749,1219 3.645,1220 4.981,1221 3.649,1222 3.725,1223 3.789,1224 3.695,1225 3.585,1226 4.756,1227 3.573,1228 3.606,1229 3.656,1230 3.565,1231 3.465,1232 4.549,1233 3.449,1234 3.512,1235 3.551,1236 3.492,1237 3.33,1238 4.457,1239 3.341,1240 3.426,1241 3.5,1242 3.334,1243 3.251,1244 4.337,1245 3.236,1246 0.095,1247 0.082,1248 0.133,1249 0.084,1250 0.064,1251 4.488,1252 0.094,1253 3.841,1254 0.053,1255 6.271,1256 0.204,1257 3.958,1258 0.06,1259 3.021,1260 4.433,1261 2.472,1262 9.584,1263 2.828,1264 1.934,1265 1.903,1266 2.101,1267 2.069,1268 1.481,1269 2.083,1270 1.914,1271 1.896,1272 2.02,1273 1.977,1274 1.347,1275 1.985,1276 1.841,1277 1.792,1278 2.015,1279 1.956,1280 1.234,1281 1.975,1282 1.768,1283 1.721,1284 1.973,1285 1.947,1286 1.162,1287 1.968,1288 1.731,1289 1.677,1290 1.921,1291 1.909,1292 1.137,1293 1.927,1294 1.607,1295 1.584,1296 1.772,1297 1.787,1298 1.013,1299 1.782,1300 1.489,1301 1.43,1302 1.743,1303 1.702,1304 1.003,1305 1.722,1306 1.438,1307 1.361,1308 1.691,1309 1.643,1310 0.987,1311 1.678,1312 4.554,1314 5.826,1315 2.398,1316 7.268,1317 4.727,1318 8.789,1319 6.823,1320 10.356,1322 2.129,1323 6.11,1328 11.747,1329 5.868,1330 5.501,1332 -0.265,1333 2.498,1340 54.528,1341 137.903,1342 308.173,1343 443.963,1344 517.247,1345 529.512,1346 529.512,1347 127.454,1348 8.067,1349 87.74,1350 115.98,1351 23,1352 12.62,1353 4.322,1354 3.585,1355 85.249,1356 280,1357 326,1358 0.133,1359 343.487,1360 607.4,1361 829.867,1362 46162,1363 1.1,1364 31.15,1365 0.708,1366 0.623,1367 32.003,1368 27.396,1369 21.389,1370 0.455,1371 0.367,1372 16.019,1373 20.031,1374 15.559,1375 12.899,1376 22.086,1377 17.257,1378 18.533,1379 0.304,1380 0.22,1381 19.61,1382 13.407,1383 14.38,1384 0.197,1385 0.131,1386 15.377,1387 9.554,1388 11.476,1389 0.128,1390 0.078,1391 12.705,1392 6.995,1393 9.011,1394 0.084,1395 0.045,1396 10.004,1397 4.823,1398 0.22,1399 139.709,1400 0.178,1401 40.134,1402 0.339,1403 216,1404 590.317,1405 273.295,1406 614.96,1407 809.29,1408 574,1409 242,1410 526.744,1411 288.382,1412 556.735,1413 805.42,1414 525,1415 7}
{0 CHEMBL1076259,1 1.468,2 18.071,3 6.672,4 44.514,5 170.263,6 6.803,7 0.356,8 4.517,9 4.644,10 4.025,11 4.074,12 5.493,13 4.007,14 5.106,15 5.296,16 4.361,17 4.481,18 6.048,19 4.368,20 5.419,21 5.666,22 4.403,23 4.605,24 6.286,25 4.457,26 5.467,27 5.725,28 4.297,29 4.555,30 6.347,31 4.405,32 5.41,33 5.668,34 4.326,35 4.49,36 6.43,37 4.362,38 5.373,39 5.611,40 4.396,41 4.494,42 6.454,43 4.38,44 5.386,45 5.626,46 4.305,47 4.504,48 6.408,49 4.375,50 5.36,51 5.598,52 4.317,53 4.498,54 6.342,55 4.367,56 0.064,57 1.212,58 20.702,59 8.981,60 9.933,61 12.007,62 0.442,63 2.01,64 39.647,65 15.27,66 43.966,67 20.796,68 0.597,69 2.503,70 57.635,71 19.967,72 65.891,73 27.608,74 0.611,75 2.491,76 59.851,77 20.148,78 79.008,79 27.663,80 0.872,81 2.345,82 56.498,83 18.442,84 121.491,85 25.493,86 0.915,87 2.297,88 55.891,89 17.959,90 120.437,91 24.513,92 0.737,93 2.277,94 54.73,95 18.679,96 111.651,97 25.222,98 0.628,99 2.272,100 54.579,101 18.171,102 88.328,103 24.768,104 24,105 58,106 0.22,107 0.501,108 0.712,109 0.844,110 0.877,111 0.877,112 3.764,113 1.088,114 -5.23,115 -5.12,116 -4.79,121 39.1,122 1,123 9,124 1,127 5,129 1,144 10,145 2,154 2,160 3,176 19,179 1,180 5,183 2,185 3,187 20,192 9,195 2,197 5,200 11,206 10,211 3,214 6,218 2,219 7,222 1,223 1,224 3,227 10,231 2,232 10,235 3,237 3,239 15,243 1,244 4,247 1,249 2,251 13,255 1,256 12,261 6,264 11,269 11,274 7,277 8,281 4850,282 28.766,283 28.766,284 28.766,285 28.766,286 28.766,287 26.502,288 25.388,289 17.861,290 29.218,291 22.241,292 22.241,293 22.241,294 22.241,295 22.241,296 18.723,297 27.43,298 8.569,299 22.936,300 4.975,301 3.108,302 1.699,303 0.826,304 0.606,305 0.606,306 4.46,312 1,313 1618,314 5.292,317 121.71,318 521.723,321 233.669,325 2.646,326 43.477,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 89.5,338 759,339 4.498,340 3.836,341 6.35,342 3.998,343 3.054,344 4.425,345 2.472,346 9.781,347 2.88,348 4.013,349 3.572,350 6.061,351 3.773,352 2.801,353 3.457,354 1.907,355 8.729,356 2.71,357 3.941,358 3.545,359 5.743,360 3.69,361 2.727,362 3.306,363 1.064,364 7.788,365 2.634,366 3.785,367 3.018,368 5.617,369 3.48,370 2.483,371 3.049,372 0.916,373 7.583,374 2.474,375 3.656,376 2.884,377 5.333,378 3.414,379 2.422,380 2.815,381 0.386,382 6.954,383 2.39,384 3.585,385 2.564,386 5.031,387 3.329,388 2.326,389 2.631,390 0.172,391 6.073,392 2.313,393 3.175,394 2.245,395 4.948,396 3.028,397 2.073,398 2.298,399 0.149,400 5.849,401 1.97,402 3.032,403 2.198,404 4.414,405 2.817,406 1.841,407 2.24,409 4.312,410 1.798,411 3.02,412 1.976,413 4.351,414 2.551,415 1.584,416 2.219,418 4.236,419 1.528,420 2.844,421 1.78,422 3.948,423 2.477,424 1.532,425 1.928,427 3.484,428 1.434,429 2.825,430 1.582,431 3.727,432 2.429,433 1.45,434 1.855,436 3.176,437 1.415,438 2.69,439 1.553,440 3.598,441 2.412,442 1.423,443 1.691,445 3.047,446 1.382,447 2.5,448 1.532,449 3.578,450 2.17,451 1.191,452 1.5,454 2.708,455 1.161,456 2.486,457 1.472,458 3.425,459 2.105,460 1.134,461 1.414,463 2.45,464 1.088,465 2.249,466 1.309,467 3.414,468 2,469 1,470 1.223,472 2.275,473 1,474 20.367,475 0.485,476 0.746,477 0.018,478 44,479 1.048,480 18.5,481 0.44,482 25.5,483 0.607,484 49.108,485 1.169,486 47.433,487 0.545,488 34.887,489 0.831,490 7.931,491 0.189,492 12.581,493 0.3,494 0.074,496 0.241,501 0.703,502 1.297,503 0.865,504 1.11,505 0.53,506 1.072,507 0.722,508 1.153,509 0.966,510 1.064,511 0.513,512 1.094,513 0.918,514 1.05,515 0.977,516 1.034,517 0.848,518 1.008,519 1.298,520 1.024,521 1.017,522 0.972,523 1.257,524 0.969,525 1.224,526 0.913,527 0.915,528 0.862,529 1.185,530 0.871,531 1.199,532 0.968,533 0.966,534 0.98,535 1.261,536 0.944,537 1.404,538 0.968,539 1.001,540 0.943,541 1.471,542 0.96,543 1.349,544 1.045,545 1.031,546 1.026,547 1.512,548 1.004,549 7,550 0.255,551 3.556,552 1.854,553 1.841,554 0.938,555 0.851,556 0.627,557 0.375,558 0.339,559 35240,560 77976,561 2.062,562 51.7,563 10,564 21,567 2,568 2,569 10,572 1.811,573 1.969,574 4.092,575 0.078,582 127.674,583 1.468,584 3.335,585 4.744,586 5.617,587 5.837,588 5.837,589 3.497,590 4.851,591 5.359,592 4.324,593 3723.07,594 9.477,595 74526.3,600 560.536,601 1.206,602 5.341,603 0.156,604 0.005,605 0.061,606 0.033,607 0.035,608 0.017,609 0.015,610 0.012,611 0.007,612 0.007,613 0.348,614 0.17,615 0.75,616 1.35,617 247.916,618 -0.01,619 -0.066,620 0.061,621 0.009,622 0.003,623 0.019,624 0.128,625 -0.016,626 0.007,627 -0.015,628 0.091,629 -0.063,630 0.038,631 -0.03,632 0.033,633 -0.029,634 0.004,635 -0.015,636 -0.098,637 -0.054,638 -0.02,639 -0.017,640 -0.083,641 -0.007,642 0.103,643 0.06,644 0.074,645 0.064,646 0.117,647 0.073,648 0.174,649 0.041,650 0.064,651 -0.017,652 0.139,653 0.011,654 -0.02,655 0.001,656 -0.011,657 0.011,658 0.008,659 0.001,660 -0.06,661 -0.052,662 -0.012,663 -0.046,664 -0.075,665 -0.034,666 2.2,667 6.049,668 0.5,669 67.878,670 0.991,671 1.126,672 4.005,673 16.037,674 0.649,675 3.829,676 4.078,677 4.277,678 4.466,679 4.654,680 4.654,681 4.718,682 4.828,683 4.812,684 4.828,685 10.634,686 0.6,687 591.89,688 3.829,689 5.333,690 6.142,691 6.976,692 7.805,693 8.647,694 9.486,695 10.333,696 11.178,697 12.03,698 3.4,701 1,705 2,714 2,715 10,719 1,720 2,722 16,729 1,741 87,743 19,744 2,745 45,747 90,748 34,749 14,750 3,751 9,752 1,756 4,757 5,763 1,767 2,768 1,770 10,772 17,773 17,774 1,777 3,782 3,786 3,793 45,794 7,795 2,796 8,797 1,802 3,808 0.75,809 4,828 1,829 3,832 1,843 1,846 1,855 1,859 3,862 1,864 1,868 42,876 14,877 2,878 1,880 2,881 1,888 1,893 4.6,896 3,898 1,901 21.333,902 15.283,903 9.583,904 5.869,907 2.454,908 1.308,909 0.951,910 13.468,911 10.41,912 4.043,913 4.508,914 4.967,915 5.451,916 5.91,917 6.077,918 6.332,919 6.672,920 6.525,921 6.584,922 0.917,923 57,924 15.761,926 6.615,927 0.026,929 7.659,931 30.742,933 25.31,936 2.159,937 90.667,941 506.157,942 195.155,943 39.146,945 86.435,947 31.278,948 163.877,949 592.592,950 39.146,951 8.825,952 71.847,953 94.762,954 92.035,955 19.883,956 2.104,957 537.435,959 506.157,960 203.023,961 86.435,962 31.278,964 388.446,965 204.146,968 83.797,969 119.226,971 31.278,972 506.157,973 125.58,974 195.155,977 506.157,978 91.567,979 106.712,980 36.022,981 86.435,982 506.157,983 125.58,984 195.155,986 0.559,987 0.313,988 0.161,989 0.089,990 22,991 10,992 0.189,993 17,994 1,995 1.095,996 5.412,997 381.367,998 0.095,999 21,1000 218.477,1001 1,1005 32.319,1006 17.503,1007 10.884,1008 2.003,1009 125.58,1010 20.212,1014 1.389,1015 1.887,1017 36.022,1018 826.893,1019 56,1024 38.66,1028 -0.896,1031 86.247,1032 97.972,1034 0.228,1035 0.518,1036 0.736,1037 0.872,1038 0.906,1039 0.906,1040 5.252,1041 1.841,1042 6.075,1043 5.849,1044 4.762,1045 5.196,1046 3.062,1047 6.786,1048 4.7,1049 6.387,1050 1.584,1051 7.568,1052 4.312,1053 4.111,1054 4.808,1055 2.619,1056 7.466,1057 4.023,1058 7.643,1059 1.532,1060 9.159,1061 4.236,1062 6.256,1063 7.235,1064 4.249,1065 10.536,1066 6.127,1067 8.931,1068 1.45,1069 10.811,1070 3.484,1071 6.463,1072 7.762,1073 4.559,1074 12.082,1075 6.292,1076 10.257,1077 1.423,1078 12.504,1079 3.176,1080 8.013,1081 9.647,1082 5.764,1083 14.626,1084 7.809,1085 11.609,1086 1.191,1087 14.223,1088 3.047,1089 8.641,1090 10.637,1091 6.389,1092 16.543,1093 8.379,1094 12.981,1095 1.134,1096 15.963,1097 2.708,1098 9.927,1099 12.296,1100 7.424,1101 18.896,1102 9.633,1103 3.054,1104 1,1105 17.718,1106 2.45,1107 10.773,1108 13.531,1109 8.191,1110 20.986,1111 10.414,1112 2.801,1113 9.781,1114 19.485,1115 2.275,1116 11.939,1117 15.09,1118 9.154,1119 23.271,1120 11.542,1121 2.727,1122 8.729,1123 21.26,1124 4.425,1125 12.898,1126 16.451,1127 9.989,1128 25.445,1129 12.434,1130 2.483,1131 7.788,1132 23.043,1133 3.457,1134 14.011,1135 17.965,1136 10.919,1137 27.707,1138 13.503,1139 2.422,1140 7.583,1141 24.833,1142 3.306,1143 15.031,1144 19.39,1145 11.788,1146 29.924,1147 14.455,1148 2.326,1149 6.954,1150 26.627,1151 3.049,1152 16.125,1153 20.886,1154 12.704,1155 32.181,1156 15.497,1157 2.073,1158 6.073,1159 28.427,1160 2.815,1161 17.177,1162 22.342,1163 13.59,1164 34.421,1165 16.483,1166 33548,1167 50240,1168 30.394,1169 56.472,1170 65.289,1171 67.235,1172 66.255,1173 64.682,1174 64.694,1175 79.491,1176 14.134,1177 171.129,1178 62.75,1179 5.498,1180 5.836,1181 6.302,1182 5.113,1183 5.054,1184 7.425,1185 4.213,1186 16.429,1187 4.88,1188 18.238,1189 1.451,1190 1.494,1191 1.472,1192 1.437,1193 1.438,1194 1.766,1195 0.314,1196 3.803,1197 1.394,1198 4.085,1199 4.094,1200 4.334,1201 4.107,1202 7.437,1203 4.053,1204 3.963,1205 4.009,1206 3.874,1207 3.873,1208 7.427,1209 3.867,1210 3.843,1211 3.885,1212 3.746,1213 3.733,1214 7.425,1215 3.724,1216 3.8,1217 3.846,1218 3.694,1219 3.639,1220 4.859,1221 3.642,1222 3.722,1223 3.785,1224 3.566,1225 3.58,1226 4.755,1227 3.57,1228 3.585,1229 3.639,1230 3.522,1231 3.403,1232 4.458,1233 3.398,1234 3.467,1235 3.518,1236 3.439,1237 3.317,1238 4.337,1239 3.316,1240 3.416,1241 3.473,1242 3.251,1243 3.249,1244 4.184,1245 3.234,1246 0.1,1247 0.085,1248 0.141,1249 0.089,1250 0.068,1251 4.498,1252 0.098,1253 3.836,1254 0.055,1255 6.35,1256 0.217,1257 3.998,1258 0.064,1259 3.054,1260 4.425,1261 2.472,1262 9.781,1263 2.88,1264 1.934,1265 1.902,1266 2.101,1267 2.069,1268 1.481,1269 2.083,1270 1.919,1271 1.896,1272 2.02,1273 1.978,1274 1.347,1275 1.992,1276 1.841,1277 1.792,1278 2.015,1279 1.966,1280 1.232,1281 1.983,1282 1.766,1283 1.717,1284 2.007,1285 1.947,1286 1.162,1287 1.968,1288 1.725,1289 1.672,1290 1.918,1291 1.905,1292 1.136,1293 1.921,1294 1.541,1295 1.524,1296 1.772,1297 1.77,1298 1.013,1299 1.76,1300 1.471,1301 1.42,1302 1.73,1303 1.674,1304 0.995,1305 1.702,1306 1.432,1307 1.357,1308 1.554,1309 1.601,1310 0.825,1311 1.616,1312 4.511,1314 5.778,1315 2.398,1316 7.222,1317 4.727,1318 8.747,1319 6.843,1320 10.316,1322 2.131,1328 11.671,1329 5.872,1330 5.499,1332 -0.262,1333 2.501,1340 52.173,1341 127.674,1342 290.123,1343 412.688,1344 488.662,1345 507.781,1346 507.781,1347 115.285,1348 7.955,1349 87.74,1350 115.98,1351 23,1352 12.588,1353 4.322,1354 3.585,1355 79.226,1356 259,1357 296,1358 0.136,1359 325.561,1360 574.89,1361 786.13,1362 39301,1364 29.572,1365 0.704,1366 0.61,1367 29.926,1368 25.633,1369 20.512,1370 0.456,1371 0.363,1372 15.432,1373 19.488,1374 15.029,1375 12.495,1376 20.921,1377 16.322,1378 17.429,1379 0.301,1380 0.213,1381 18.071,1382 12.369,1383 14.022,1384 0.197,1385 0.128,1386 14.878,1387 9.087,1388 10.902,1389 0.127,1390 0.074,1391 11.75,1392 6.395,1393 8.735,1394 0.084,1395 0.043,1396 9.479,1397 4.457,1398 0.224,1399 131.272,1400 0.181,1401 38.618,1402 0.347,1403 206,1404 552.113,1405 247.775,1406 548.82,1407 734.28,1408 514,1409 232,1410 499.881,1411 271.626,1412 520.143,1413 755.95,1414 491,1415 6.569}
{0 CHEMBL1076260,1 1.511,2 18.071,3 5.581,4 31.144,5 168.058,6 6.894,7 0.356,8 4.511,9 4.638,10 4.029,11 4.055,12 5.5,13 3.993,14 5.098,15 5.29,16 4.369,17 4.454,18 6.054,19 4.351,20 5.405,21 5.653,22 4.404,23 4.576,24 6.286,25 4.438,26 5.453,27 5.712,28 4.296,29 4.535,30 6.342,31 4.39,32 5.4,33 5.656,34 4.33,35 4.478,36 6.44,37 4.352,38 5.363,39 5.602,40 4.396,41 4.484,42 6.442,43 4.371,44 5.379,45 5.62,46 4.308,47 4.489,48 6.411,49 4.364,50 5.351,51 5.59,52 4.323,53 4.476,54 6.359,55 4.35,56 0.053,57 1.225,58 20.28,59 8.677,60 10.101,61 11.645,62 0.451,63 2.012,64 39.444,65 14.444,66 45.5,67 20.08,68 0.598,69 2.455,70 56.204,71 18.975,72 68.805,73 26.655,74 0.63,75 2.433,76 59.344,77 19.455,78 82.397,79 26.896,80 0.948,81 2.3,82 56.124,83 18.091,84 129.018,85 25.075,86 0.892,87 2.259,88 55.333,89 17.664,90 118.938,91 24.242,92 0.747,93 2.249,94 54.523,95 18.16,96 114.566,97 24.7,98 0.749,99 2.238,100 54.383,101 17.459,102 98.792,103 24.067,104 24,105 58,106 0.227,107 0.518,108 0.737,109 0.853,110 0.875,111 0.875,112 3.764,113 1.079,114 -4.3,115 -4.24,116 -4,121 38.4,122 1,123 9,124 1,127 5,129 1,144 8,145 2,147 1,154 1,160 3,163 1,176 17,179 1,180 8,183 2,185 3,187 16,192 11,195 2,197 5,200 7,206 10,211 3,214 5,218 3,219 6,222 2,223 1,224 2,227 10,231 2,232 9,235 3,237 2,239 15,243 1,244 5,247 1,249 2,251 12,255 3,256 11,261 6,264 9,269 9,274 7,277 7,281 4850,282 28.766,283 28.766,284 28.766,285 28.766,286 28.766,287 26.502,288 25.388,289 17.861,290 29.285,291 22.241,292 22.241,293 22.241,294 22.241,295 22.241,296 18.723,297 27.43,298 8.569,299 23.046,300 4.915,301 2.983,302 1.532,303 0.756,304 0.613,305 0.613,306 4.46,312 1,313 1618,314 5.292,317 121.71,318 521.723,321 233.669,325 2.646,326 45.84,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 90,338 759,339 4.498,340 3.836,341 6.35,342 3.991,343 3.054,344 4.425,345 2.472,346 9.781,347 2.864,348 4.013,349 3.572,350 6.061,351 3.77,352 2.801,353 3.457,354 1.907,355 8.729,356 2.699,357 3.941,358 3.545,359 5.743,360 3.69,361 2.727,362 3.306,363 1.064,364 7.788,365 2.634,366 3.785,367 3.018,368 5.617,369 3.48,370 2.483,371 3.049,372 0.916,373 7.583,374 2.474,375 3.656,376 2.884,377 5.333,378 3.408,379 2.422,380 2.815,381 0.386,382 6.954,383 2.378,384 3.585,385 2.564,386 5.031,387 3.328,388 2.326,389 2.631,390 0.172,391 6.073,392 2.31,393 3.175,394 2.245,395 4.948,396 3.028,397 2.073,398 2.298,399 0.149,400 5.849,401 1.97,402 3.032,403 2.198,404 4.414,405 2.817,406 1.841,407 2.24,409 4.312,410 1.798,411 3.02,412 1.976,413 4.351,414 2.538,415 1.584,416 2.219,418 4.236,419 1.495,420 2.844,421 1.78,422 3.948,423 2.444,424 1.532,425 1.928,427 3.484,428 1.422,429 2.825,430 1.582,431 3.727,432 2.426,433 1.45,434 1.855,436 3.176,437 1.394,438 2.69,439 1.553,440 3.598,441 2.408,442 1.423,443 1.691,445 3.047,446 1.363,447 2.5,448 1.532,449 3.578,450 2.17,451 1.191,452 1.5,454 2.708,455 1.161,456 2.486,457 1.472,458 3.425,459 2.102,460 1.134,461 1.414,463 2.45,464 1.086,465 2.249,466 1.309,467 3.414,468 2,469 1,470 1.223,472 2.275,473 1,474 20.267,475 0.483,476 0.746,477 0.018,478 44.5,479 1.06,480 18.5,481 0.44,482 26,483 0.619,484 48.729,485 1.16,486 47.533,487 0.553,488 35.267,489 0.84,490 8.019,491 0.191,492 12.493,493 0.297,494 0.074,496 0.242,501 0.71,502 1.352,503 0.852,504 1.129,505 0.529,506 1.077,507 0.73,508 1.196,509 0.95,510 1.084,511 0.519,512 1.093,513 0.915,514 1.061,515 0.924,516 1.013,517 0.849,518 1.001,519 1.284,520 1.004,521 1.011,522 0.964,523 1.255,524 0.96,525 1.15,526 0.879,527 0.912,528 0.865,529 1.154,530 0.88,531 1.115,532 0.97,533 0.947,534 0.994,535 1.182,536 0.95,537 1.375,538 0.98,539 0.997,540 0.953,541 1.459,542 0.966,543 1.287,544 1.013,545 1.027,546 1.009,547 1.489,548 0.997,549 7,550 0.255,551 3.556,552 1.854,553 1.841,554 0.938,555 0.851,556 0.627,557 0.375,558 0.339,559 35240,560 80466,561 2.062,562 51.2,563 10,564 19,566 1,567 2,568 2,569 10,572 1.811,573 1.969,574 4.092,575 0.102,582 129.979,583 1.511,584 3.444,585 4.894,586 5.67,587 5.813,588 5.813,589 3.497,590 4.851,591 5.359,592 4.324,593 3723.07,594 9.477,595 74526.3,600 552.659,601 1.206,602 5.341,603 0.156,604 0.005,605 0.061,606 0.033,607 0.035,608 0.017,609 0.015,610 0.012,611 0.007,612 0.007,613 0.348,614 0.17,615 0.75,616 1.35,617 247.916,618 -0.013,619 -0.105,620 0.062,621 -0.006,622 0.008,623 0.011,624 0.125,625 -0.054,626 0.018,627 -0.035,628 0.093,629 -0.066,630 0.035,631 -0.051,632 0.053,633 -0.025,634 0.007,635 -0.011,636 -0.106,637 -0.045,638 -0.015,639 -0.006,640 -0.086,641 0.005,642 0.138,643 0.083,644 0.074,645 0.067,646 0.134,647 0.07,648 0.172,649 0.025,650 0.073,651 -0.022,652 0.144,653 0.014,654 -0.03,655 -0.019,656 -0.011,657 0.004,658 0.001,659 -0.003,660 -0.008,661 -0.022,662 -0.008,663 -0.03,664 -0.056,665 -0.029,666 2.221,667 6.021,668 0.5,669 67.878,670 0.994,671 1.129,672 3.073,673 9.444,674 0.648,675 3.829,676 4.078,677 4.277,678 4.466,679 4.654,680 4.654,681 4.718,682 4.828,683 4.812,684 4.828,685 10.634,686 0.601,687 592.88,688 3.829,689 5.333,690 6.142,691 6.976,692 7.805,693 8.647,694 9.486,695 10.333,696 11.178,697 12.03,698 4.7,701 1,705 2,708 1,714 2,715 9,716 1,719 1,720 2,722 16,729 1,741 86,743 19,744 1,745 45,747 89,748 33,749 13,750 1,751 5,752 1,756 4,757 5,763 1,767 2,768 1,770 10,772 16,773 17,774 1,777 3,782 3,786 3,793 44,794 8,795 2,796 9,797 1,802 4,808 0.75,809 4,822 1,828 1,829 3,832 1,843 1,846 1,855 1,859 3,862 1,864 1,868 42,876 14,877 2,878 1,880 2,881 1,888 1,893 4.7,896 3,898 1,901 21.333,902 15.15,903 9.583,904 5.792,907 2.454,908 1.308,909 0.949,910 13.404,911 10.41,912 4.043,913 4.508,914 4.967,915 5.451,916 5.91,917 6.077,918 6.332,919 6.672,920 6.525,921 6.584,922 0.917,923 57,924 15.752,926 6.614,927 0.026,929 7.683,931 30.613,933 25.118,936 2.183,937 91.667,941 494.386,942 184.821,943 55.931,945 86.435,947 31.278,948 153.543,949 580.821,950 55.931,951 8.825,952 71.847,953 75.81,954 120.909,955 28.93,956 1.358,957 513.893,959 494.386,960 209.474,961 86.435,962 31.278,964 376.675,965 204.146,968 93.161,969 99.528,970 16.786,971 31.278,972 494.386,973 142.366,974 184.821,977 494.386,978 91.138,979 96.807,980 36.022,981 103.22,982 494.386,983 142.366,984 184.821,986 0.559,987 0.313,988 0.161,989 0.089,990 22,991 10,992 0.191,993 17,994 1,995 1.095,996 5.412,997 381.367,998 0.095,999 21,1000 218.477,1001 1,1005 32.256,1006 17.453,1007 10.848,1008 1.642,1009 142.366,1010 17.744,1011 4.297,1014 1.278,1015 1.822,1017 36.022,1018 821.573,1019 56,1024 38.612,1028 -0.961,1031 85.465,1032 97.055,1034 0.235,1035 0.536,1036 0.762,1037 0.882,1038 0.905,1039 0.905,1040 5.252,1041 1.841,1042 6.075,1043 5.849,1044 4.762,1045 5.196,1046 3.062,1047 6.786,1048 4.692,1049 6.387,1050 1.584,1051 7.568,1052 4.312,1053 4.111,1054 4.808,1055 2.619,1056 7.466,1057 4.016,1058 7.643,1059 1.532,1060 9.159,1061 4.236,1062 6.256,1063 7.235,1064 4.249,1065 10.536,1066 6.112,1067 8.931,1068 1.45,1069 10.811,1070 3.484,1071 6.463,1072 7.762,1073 4.559,1074 12.082,1075 6.278,1076 10.257,1077 1.423,1078 12.504,1079 3.176,1080 8.013,1081 9.647,1082 5.764,1083 14.626,1084 7.787,1085 11.609,1086 1.191,1087 14.223,1088 3.047,1089 8.641,1090 10.637,1091 6.389,1092 16.543,1093 8.357,1094 12.981,1095 1.134,1096 15.963,1097 2.708,1098 9.927,1099 12.296,1100 7.424,1101 18.896,1102 9.604,1103 3.054,1104 1,1105 17.718,1106 2.45,1107 10.773,1108 13.531,1109 8.191,1110 20.986,1111 10.383,1112 2.801,1113 9.781,1114 19.485,1115 2.275,1116 11.939,1117 15.09,1118 9.154,1119 23.271,1120 11.504,1121 2.727,1122 8.729,1123 21.26,1124 4.425,1125 12.898,1126 16.451,1127 9.989,1128 25.445,1129 12.393,1130 2.483,1131 7.788,1132 23.043,1133 3.457,1134 14.011,1135 17.965,1136 10.919,1137 27.707,1138 13.456,1139 2.422,1140 7.583,1141 24.833,1142 3.306,1143 15.031,1144 19.39,1145 11.788,1146 29.924,1147 14.404,1148 2.326,1149 6.954,1150 26.627,1151 3.049,1152 16.125,1153 20.886,1154 12.704,1155 32.181,1156 15.44,1157 2.073,1158 6.073,1159 28.427,1160 2.815,1161 17.177,1162 22.342,1163 13.59,1164 34.421,1165 16.421,1166 33548,1167 51088,1168 30.394,1169 55.716,1170 65.289,1171 67.235,1172 66.255,1173 64.672,1174 64.694,1175 79.491,1176 14.134,1177 171.129,1178 62.468,1179 5.498,1180 5.836,1181 6.302,1182 5.113,1183 5.054,1184 7.425,1185 4.213,1186 16.429,1187 4.864,1188 18.238,1189 1.451,1190 1.494,1191 1.472,1192 1.437,1193 1.438,1194 1.766,1195 0.314,1196 3.803,1197 1.388,1198 4.068,1199 4.084,1200 4.328,1201 4.064,1202 7.437,1203 4.015,1204 3.962,1205 4.008,1206 3.874,1207 3.873,1208 7.427,1209 3.866,1210 3.842,1211 3.885,1212 3.746,1213 3.733,1214 7.425,1215 3.724,1216 3.799,1217 3.846,1218 3.693,1219 3.638,1220 4.966,1221 3.64,1222 3.722,1223 3.785,1224 3.566,1225 3.579,1226 4.756,1227 3.569,1228 3.583,1229 3.638,1230 3.514,1231 3.377,1232 4.459,1233 3.385,1234 3.46,1235 3.517,1236 3.435,1237 3.311,1238 4.337,1239 3.303,1240 3.413,1241 3.468,1242 3.251,1243 3.249,1244 4.214,1245 3.233,1246 0.1,1247 0.085,1248 0.141,1249 0.089,1250 0.068,1251 4.498,1252 0.098,1253 3.836,1254 0.055,1255 6.35,1256 0.217,1257 3.991,1258 0.064,1259 3.054,1260 4.425,1261 2.472,1262 9.781,1263 2.864,1264 1.934,1265 1.896,1266 2.101,1267 2.069,1268 1.481,1269 2.083,1270 1.859,1271 1.833,1272 2.02,1273 1.975,1274 1.347,1275 1.984,1276 1.841,1277 1.792,1278 2.015,1279 1.956,1280 1.232,1281 1.968,1282 1.766,1283 1.716,1284 1.946,1285 1.945,1286 1.162,1287 1.958,1288 1.724,1289 1.672,1290 1.915,1291 1.905,1292 1.03,1293 1.92,1294 1.533,1295 1.512,1296 1.772,1297 1.769,1298 1.013,1299 1.759,1300 1.466,1301 1.417,1302 1.73,1303 1.673,1304 0.995,1305 1.702,1306 1.429,1307 1.357,1308 1.539,1309 1.598,1310 0.825,1311 1.61,1312 4.511,1314 5.778,1315 2.398,1316 7.222,1317 4.727,1318 8.747,1319 6.843,1320 10.316,1322 2.127,1328 11.574,1329 5.836,1330 5.487,1332 -0.288,1333 2.497,1340 51.668,1341 129.979,1342 296.155,1343 420.884,1344 487.639,1345 499.904,1346 499.904,1347 116.049,1348 7.955,1349 100.63,1350 128.87,1351 23,1352 12.588,1353 4.322,1354 3.585,1355 79.226,1356 259,1357 296,1358 0.136,1359 322.763,1360 568.59,1361 779.302,1362 39301,1364 29.572,1365 0.704,1366 0.607,1367 29.926,1368 25.503,1369 20.512,1370 0.456,1371 0.36,1372 15.276,1373 19.433,1374 14.887,1375 12.375,1376 20.921,1377 16.182,1378 17.429,1379 0.301,1380 0.21,1381 18.071,1382 12.176,1383 14.022,1384 0.197,1385 0.125,1386 14.878,1387 8.898,1388 10.902,1389 0.127,1390 0.072,1391 11.75,1392 6.224,1393 8.735,1394 0.084,1395 0.041,1396 9.479,1397 4.301,1398 0.224,1399 131.726,1400 0.181,1401 38.618,1402 0.347,1403 206,1404 571.759,1405 250.052,1406 566.067,1407 756.72,1408 530,1409 232,1410 516.346,1411 273.457,1412 535.695,1413 779.11,1414 505,1415 6.357}
{0 CHEMBL107673,1 1.783,2 14.765,3 3.627,4 13.152,5 136.192,6 8.11,7 0.472,8 4.197,9 4.315,10 3.856,11 3.685,12 5.401,13 3.664,14 4.708,15 4.878,16 4.15,17 4.053,18 5.997,19 4.01,20 4.893,21 5.075,22 4.204,23 4.155,24 5.996,25 4.088,26 5.059,27 5.3,28 4.22,29 4.165,30 6.196,31 4.079,32 4.967,33 5.165,34 4.175,35 4.108,36 6.148,37 4.049,38 4.979,39 5.18,40 4.221,41 4.109,42 6.437,43 4.028,44 4.859,45 5.059,46 4.18,47 4.052,48 6.035,49 3.973,50 4.902,51 5.123,52 4.038,53 3.994,54 6.103,55 3.914,56 0.281,57 0.924,58 11.748,59 5.239,60 11.034,61 6.585,62 0.562,63 1.395,64 26.367,65 8.885,66 79.81,67 11.051,68 0.577,69 1.596,70 30.757,71 10.65,72 40.343,73 13.7,74 0.882,75 1.687,76 40.178,77 12.342,78 86.466,79 16.701,80 0.988,81 1.529,82 34.556,83 10.802,84 91.734,85 13.45,86 1.253,87 1.554,88 38.425,89 11.057,90 194.918,91 14.353,92 0.662,93 1.452,94 33.41,95 10.275,96 77.224,97 12.767,98 0.866,99 1.412,100 39.827,101 10.733,102 111.764,103 13.364,104 47,105 48,106 0.287,107 0.592,108 0.765,109 0.833,110 0.849,111 0.855,112 3.56,113 0.969,114 -3.45,115 -3.43,116 -3.27,121 36.7,126 2,127 5,144 6,145 1,146 4,147 2,154 2,168 4,176 3,179 2,180 6,185 3,187 1,191 1,192 9,195 2,197 4,200 2,205 1,206 5,209 5,210 1,211 1,214 2,218 4,219 1,222 2,227 3,231 4,232 6,235 5,237 2,239 3,243 1,244 7,249 3,251 1,255 2,256 7,259 1,261 1,264 1,268 2,269 7,272 1,277 3,281 2554,282 22.551,283 22.551,284 22.551,285 22.551,286 22.551,287 19.874,288 33.58,289 13.692,290 23.163,291 17.806,292 17.806,293 17.806,294 17.806,295 17.806,296 13.771,297 52.118,298 6.549,299 18.721,300 4.124,301 2.225,302 1.15,303 0.725,304 0.625,305 0.592,306 4.24,312 1,313 1048,314 4.528,317 116.196,318 264.033,325 2.131,326 44.868,329 0.75,330 0.5,331 0.67,332 0.7,333 0.5,334 0.5,336 0.52,337 76,338 502,339 4.545,340 4.25,341 6.588,342 4.101,343 3.132,344 4.314,345 3.272,346 10.462,347 3.034,348 4.145,349 3.847,350 6.196,351 3.75,352 2.763,353 3.749,354 2.612,355 8.954,356 2.728,357 4.124,358 3.76,359 5.675,360 3.652,361 2.692,362 3.735,363 2.612,364 7.971,365 2.583,366 3.896,367 2.999,368 5.349,369 3.49,370 2.507,371 3.444,372 0.916,373 6.977,374 2.464,375 3.62,376 2.898,377 5.1,378 3.178,379 2.244,380 3.04,381 0.657,382 6.084,383 2.097,384 3.371,385 2.731,386 5.029,387 3.058,388 2.098,389 2.508,390 0.4,391 5.923,392 2.012,393 3.264,394 2.677,395 4.682,396 2.77,397 1.843,398 2.469,399 0.172,400 4.642,401 1.714,402 2.925,403 2.366,404 4.338,405 2.682,406 1.745,407 2.086,409 4.34,410 1.626,411 2.914,412 2.235,413 3.82,414 2.455,415 1.509,416 1.955,418 3.246,419 1.427,420 2.787,421 1.754,422 3.69,423 2.372,424 1.442,425 1.839,427 3.122,428 1.315,429 2.603,430 1.691,431 3.638,432 2.127,433 1.14,434 1.605,436 2.808,437 1.121,438 2.5,439 1.563,440 3.288,441 1.956,442 1,443 1.5,445 2.136,446 0.954,447 2.215,448 1.191,449 3.247,450 1.778,451 0.833,452 1.094,454 1.892,455 0.776,456 1.955,457 1,458 3.211,459 1.599,460 0.67,461 0.837,463 1.575,464 0.614,465 1.859,466 1,467 3.126,468 1.579,469 0.64,470 0.769,472 1.519,473 0.598,474 15.9,475 0.468,476 0.843,477 0.025,478 45.25,479 1.331,480 23,481 0.676,482 22.25,483 0.654,484 28.418,485 0.836,486 38.1,487 0.635,488 37.278,489 1.096,490 8.822,491 0.259,492 7.507,493 0.221,494 0.147,496 0.296,501 0.498,502 1.322,503 0.719,504 1.025,505 0.49,506 0.986,507 0.752,508 1.149,509 1.087,510 1.123,511 0.382,512 0.951,513 0.83,514 1.299,515 1.034,516 1.274,517 0.559,518 1.205,519 0.742,520 0.939,521 0.852,522 0.95,523 0.751,524 0.918,525 1.253,526 0.89,527 1.029,528 0.896,529 1.223,530 0.972,531 0.861,532 1.001,533 1.102,534 1.058,535 0.914,536 1.023,537 1.064,538 1.157,539 1.061,540 1.17,541 1.138,542 1.055,543 1.182,544 0.992,545 1.325,546 1.153,547 1.308,548 0.942,549 7,550 0.185,551 2.889,552 2.132,553 1.761,554 1.483,555 0.606,556 0.499,557 0.362,558 0.307,559 17633,560 56190,561 1.994,562 43.3,564 22,566 2,567 2,572 1.76,573 1.855,574 3.796,575 0.293,582 106.975,583 1.783,584 3.682,585 4.757,586 5.182,587 5.282,588 5.315,589 3.257,590 4.676,591 5.054,592 4.021,593 2255.6,594 8.864,595 36783.8,600 354.413,601 1.447,602 5.01,603 0.194,604 0.005,605 0.06,606 0.045,607 0.037,608 0.033,609 0.014,610 0.012,611 0.009,612 0.008,613 0.419,614 0.33,615 0.63,616 1.05,617 186.136,618 0.191,619 -0.063,620 0.07,621 0.024,622 0.017,623 -0.015,624 0.038,625 0.011,626 -0.059,627 -0.006,628 0.239,629 0.044,630 -0.03,631 -0.216,632 -0.094,633 -0.227,635 -0.204,636 0.113,637 0.022,638 0.144,639 0.024,640 0.071,641 0.087,642 -0.106,643 0.093,644 -0.064,645 0.064,646 -0.146,647 -0.019,648 0.235,649 -0.008,650 -0.002,651 -0.003,652 0.31,653 -0.042,654 -0.108,655 -0.126,656 0.045,657 -0.07,658 -0.096,659 -0.052,660 -0.11,661 -0.012,662 -0.087,663 -0.025,664 -0.097,665 0.062,666 2.633,667 4.533,668 0.5,669 43.824,670 1.019,671 1.135,672 2.216,673 4.911,674 0.659,675 3.611,676 3.892,677 4.078,678 4.304,679 4.454,680 4.522,681 4.533,682 4.5,683 4.554,684 4.605,685 8.613,686 0.636,687 486.61,688 3.611,689 5.13,690 5.943,691 6.797,692 7.633,693 8.494,694 9.34,695 10.205,696 11.058,697 11.925,698 10,701 1,703 2,708 1,709 2,715 8,716 1,718 1,720 7,722 17,734 2,735 2,741 60,743 21,744 1,745 36,747 62,748 22,749 15,750 4,751 2,756 3,757 3,772 15,773 7,777 4,779 2,782 4,792 1,793 26,794 9,795 2,796 12,797 1,802 6,808 1,809 5,822 1,828 1,829 2,855 1,859 3,860 1,862 1,864 2,868 34,876 5,877 2,879 1,881 1,893 8.3,898 1,899 4,901 18.333,902 11.217,903 7.611,904 3.242,907 2.821,908 1.378,909 0.943,910 9.565,911 10.284,912 3.902,913 4.469,914 4.934,915 5.462,916 5.868,917 6.101,918 6.253,919 6.334,920 6.528,921 6.821,922 0.9,923 47,924 12.589,926 5.279,927 0.026,929 8.044,931 23.324,933 18.251,936 2.544,937 86.5,941 282.506,942 157.191,943 67.271,945 111.001,947 32.22,948 124.972,949 393.508,950 67.271,951 28.133,952 8.116,953 56.857,954 76.349,955 44.939,956 10.898,957 291.184,958 101.494,959 282.506,960 192.243,961 111.001,962 32.22,964 282.506,965 9.507,966 101.494,968 29.336,969 98.76,970 64.147,971 32.22,972 282.506,973 178.273,974 157.191,977 282.506,978 65.446,979 106.209,980 36.022,981 127.787,982 282.506,983 178.273,984 157.191,986 0.571,987 0.311,988 0.169,989 0.092,990 19,991 10,992 0.21,993 13,995 1,996 4.536,997 291.122,999 17,1000 166.974,1001 1,1005 25.811,1006 12.6,1007 7.888,1009 166.933,1010 13.159,1011 4.016,1013 5.776,1015 2.295,1017 36.022,1018 617.97,1019 48.5,1021 -1.255,1024 46.084,1031 61.16,1032 68.109,1034 0.302,1035 0.623,1036 0.805,1037 0.877,1038 0.894,1039 0.9,1040 5.113,1041 1.745,1042 5.911,1043 4.642,1044 4.575,1045 5.156,1046 3.861,1047 6.663,1048 4.49,1049 6.309,1050 1.509,1051 7.434,1052 4.34,1053 4.111,1054 5.007,1055 3.025,1056 7.473,1057 4.021,1058 7.604,1059 1.442,1060 9.058,1061 3.246,1062 6.107,1063 7.322,1064 5.878,1065 10.539,1066 5.96,1067 8.936,1068 1.14,1069 10.743,1070 3.122,1071 6.447,1072 7.993,1073 5.197,1074 12.201,1075 6.299,1076 10.3,1077 1,1078 12.468,1079 2.808,1080 7.917,1081 9.789,1082 8.078,1083 14.78,1084 7.721,1085 11.686,1086 0.833,1087 14.222,1088 2.136,1089 8.641,1090 10.833,1091 7.249,1092 16.809,1093 8.437,1094 13.09,1095 0.67,1096 15.997,1097 1.892,1098 9.892,1099 12.422,1100 10.347,1101 19.218,1102 9.649,1103 3.132,1104 0.64,1105 17.789,1106 1.575,1107 10.809,1108 13.651,1109 9.241,1110 21.412,1111 10.548,1112 2.763,1113 10.462,1114 19.594,1115 1.519,1116 11.969,1117 15.149,1118 12.655,1119 23.763,1120 11.674,1121 2.692,1122 8.954,1123 21.409,1124 4.314,1125 12.984,1126 16.474,1127 11.202,1128 26.032,1129 12.664,1130 2.507,1131 7.971,1132 23.234,1133 3.749,1134 14.109,1135 17.935,1136 14.987,1137 28.366,1138 13.757,1139 2.244,1140 6.977,1141 25.066,1142 3.735,1143 15.175,1144 19.312,1145 13.145,1146 30.67,1147 14.794,1148 2.098,1149 6.084,1150 26.904,1151 3.444,1152 16.29,1153 20.758,1154 17.333,1155 33.002,1156 15.877,1157 1.843,1158 5.923,1159 28.747,1160 3.04,1161 17.382,1162 22.165,1163 15.079,1164 35.324,1165 16.939,1166 17314,1167 31230,1168 23.463,1169 39.568,1170 53.027,1171 57.709,1172 54.029,1173 52.65,1174 52.687,1175 70.092,1176 21.287,1177 143.731,1178 50.284,1179 5.468,1180 6.25,1181 6.39,1182 5.214,1183 5.132,1184 7.314,1185 6.545,1186 17.291,1187 5.034,1188 19.776,1189 1.473,1190 1.603,1191 1.501,1192 1.462,1193 1.464,1194 1.947,1195 0.591,1196 3.993,1197 1.397,1198 4.069,1199 4.099,1200 4.055,1201 3.913,1202 7.819,1203 3.933,1204 3.942,1205 3.956,1206 3.97,1207 3.803,1208 7.811,1209 3.812,1210 3.868,1211 3.91,1212 3.806,1213 3.759,1214 6.999,1215 3.764,1216 3.659,1217 3.689,1218 3.719,1219 3.464,1220 6.999,1221 3.404,1222 3.568,1223 3.64,1224 3.65,1225 3.288,1226 5.035,1227 3.304,1228 3.512,1229 3.579,1230 3.387,1231 3.173,1232 4.902,1233 3.247,1234 3.377,1235 3.431,1236 3.349,1237 3.048,1238 4.673,1239 3.094,1240 3.179,1241 3.236,1242 3.132,1243 2.949,1244 4.272,1245 2.96,1246 0.126,1247 0.118,1248 0.183,1249 0.114,1250 0.087,1251 4.545,1252 0.12,1253 4.25,1254 0.091,1255 6.588,1256 0.291,1257 4.101,1258 0.084,1259 3.132,1260 4.314,1261 3.272,1262 10.462,1263 3.034,1264 1.954,1265 1.926,1266 2.026,1267 2.151,1268 1.183,1269 2.1,1270 1.837,1271 1.8,1272 1.949,1273 1.975,1274 1.098,1275 1.971,1276 1.648,1277 1.592,1278 1.868,1279 1.882,1280 1.034,1281 1.881,1282 1.601,1283 1.57,1284 1.744,1285 1.845,1286 1.025,1287 1.787,1288 1.444,1289 1.385,1290 1.663,1291 1.747,1292 0.852,1293 1.684,1294 1.317,1295 1.273,1296 1.527,1297 1.647,1298 0.657,1299 1.629,1300 1.277,1301 1.218,1302 1.494,1303 1.561,1304 0.6,1305 1.536,1306 1.197,1307 1.144,1308 1.417,1309 1.529,1310 0.469,1311 1.519,1312 4.29,1314 5.58,1315 2.398,1316 7.04,1317 4.595,1318 8.587,1319 6.555,1320 10.188,1322 3.944,1328 2.802,1329 6.033,1331 1.621,1333 2.024,1340 38.157,1341 106.975,1342 220.904,1343 285.394,1344 310.904,1345 316.904,1346 318.904,1347 95.011,1348 7.463,1349 144.97,1350 170.27,1351 17,1352 12.474,1353 4.459,1354 3.755,1355 67.476,1356 169,1357 194,1358 0.183,1359 242.226,1360 421.44,1361 582.791,1362 19194,1364 24.501,1365 0.721,1366 0.58,1367 24.855,1368 19.709,1369 16.329,1370 0.454,1371 0.323,1372 10.355,1373 14.894,1374 9.966,1375 8.318,1376 16.829,1377 11.622,1378 14.701,1379 0.306,1380 0.183,1381 15.199,1382 8.806,1383 10.886,1384 0.188,1385 0.098,1386 11.442,1387 5.69,1388 8.998,1389 0.123,1390 0.054,1391 9.506,1392 3.937,1393 6.765,1394 0.08,1395 0.031,1396 7.28,1397 2.631,1398 0.296,1399 109.78,1400 0.206,1401 32.165,1402 0.478,1403 168,1404 614.784,1405 209.747,1406 601.761,1407 784.23,1408 554,1409 190,1410 551.275,1411 229.261,1412 555.042,1413 790.5,1414 513,1415 6.509}
{0 CHEMBL107892,1 1.846,2 12.778,3 2.638,4 6.961,5 108.243,6 8.239,7 0.393,8 3.979,9 4.098,10 3.647,11 3.431,12 5.224,13 3.414,14 4.483,15 4.65,16 3.948,17 3.8,18 5.838,19 3.761,20 4.653,21 4.824,22 4.007,23 3.894,24 5.828,25 3.837,26 4.842,27 5.08,28 4.025,29 3.906,30 6.097,31 3.826,32 4.717,33 4.91,34 3.885,35 3.785,36 5.969,37 3.722,38 4.66,39 4.871,40 3.868,41 3.721,42 6.241,43 3.607,44 4.453,45 4.669,46 3.678,47 3.585,48 5.566,49 3.441,50 4.37,51 4.619,52 3.4,53 3.472,54 5.336,55 3.333,56 0.291,57 0.729,58 9.552,59 4.128,60 11.799,61 5.179,62 0.551,63 1.073,64 22.225,65 7.179,66 78.735,67 8.872,68 0.579,69 1.212,70 24.734,71 8.155,72 38.337,73 10.403,74 0.855,75 1.257,76 33.468,77 9.676,78 100.157,79 13.139,80 1.005,81 1.078,82 28.121,83 8.094,84 99.405,85 9.881,86 1.101,87 1.027,88 30.312,89 7.969,90 187.345,91 10.604,92 0.611,93 0.867,94 25.538,95 7.173,96 86.635,97 8.819,98 0.502,99 0.792,100 28.312,101 6.948,102 60.76,103 8.875,104 60,105 38,106 0.315,107 0.61,108 0.769,109 0.804,110 0.825,111 0.84,112 3.339,113 0.985,114 -3.03,115 -3.03,116 -2.92,121 33.3,126 2,127 4,144 4,146 4,154 2,165 1,166 1,167 1,168 4,176 1,179 2,180 4,185 2,189 1,191 1,192 8,194 1,195 2,197 3,200 2,203 1,205 1,206 5,208 2,209 4,210 1,213 1,214 1,218 4,221 1,222 2,227 1,231 4,232 2,234 2,235 5,237 1,239 1,244 2,249 2,253 1,256 2,264 1,268 1,269 4,272 1,277 2,281 1175,282 17.413,283 17.413,284 17.413,285 17.413,286 17.413,287 15.434,288 27.03,289 10.402,290 17.922,291 13.813,292 13.813,293 13.813,294 13.813,295 13.813,296 10.81,297 39.502,298 4.938,299 14.578,300 3.739,301 2.001,302 1.073,303 0.865,304 0.74,305 0.656,306 3.998,311 1,312 1,313 701,314 4.243,317 90.886,318 105.704,325 1.819,326 40.549,329 1,330 0.67,331 0.83,332 1,333 0.5,334 0.83,335 0.5,336 0.76,337 61.5,338 345,339 4.535,340 4.25,341 6.557,342 4.085,343 3.114,344 4.306,345 3.272,346 10.308,347 3.02,348 4.136,349 3.845,350 6.158,351 3.75,352 2.763,353 3.743,354 2.612,355 8.753,356 2.728,357 4.124,358 3.759,359 5.675,360 3.624,361 2.663,362 3.735,363 2.612,364 7.971,365 2.555,366 3.604,367 2.998,368 5.043,369 3.178,370 2.244,371 3.023,372 0.916,373 6.084,374 2.097,375 3.371,376 2.822,377 5.029,378 3.035,379 2.075,380 2.508,381 0.4,382 5.735,383 1.991,384 3.213,385 2.685,386 4.531,387 2.721,388 1.806,389 2.411,390 0.172,391 4.347,392 1.654,393 2.918,394 2.318,395 4.338,396 2.651,397 1.693,398 1.954,400 4.233,401 1.614,402 2.777,403 2.226,404 3.805,405 2.37,406 1.454,407 1.825,409 3.209,410 1.309,411 2.602,412 1.733,413 3.69,414 2.117,415 1.127,416 1.604,418 2.79,419 1.112,420 2.215,421 1.621,422 3.287,423 1.778,424 0.833,425 1.094,427 1.891,428 0.776,429 1.915,430 1.162,431 3.163,432 1.587,433 0.67,434 0.828,436 1.572,437 0.606,438 1.431,439 1,440 2.72,441 1.073,442 0.13,443 0.16,445 0.323,446 0.121,447 1.008,448 1,449 2.623,450 0.763,451 -0.168,452 -0.193,454 -0.406,455 -0.153,456 1,457 0.758,458 2.414,459 0.589,460 -0.356,461 -0.398,463 -0.929,464 -0.334,465 1,466 0.482,467 2.238,468 0.284,469 -0.662,470 -0.794,472 -1.759,473 -0.613,474 12.5,475 0.463,476 0.812,477 0.03,478 34.5,479 1.278,480 17,481 0.63,482 17.5,483 0.648,484 21.593,485 0.8,486 31.3,487 0.652,488 26.988,489 1,490 6.64,491 0.246,492 6.134,493 0.227,494 0.219,496 0.336,501 0.507,502 1.288,503 0.725,504 1.002,505 0.548,506 0.988,507 0.698,508 1.175,509 1.072,510 1.17,511 0.36,512 0.938,513 0.855,514 1.323,515 1.046,516 1.315,517 0.583,518 1.233,519 0.723,520 0.977,521 0.823,522 0.976,523 0.709,524 0.922,525 1.345,526 0.829,527 1.108,528 0.883,529 1.312,530 1.015,531 0.655,532 0.972,533 1.146,534 1.144,535 0.613,536 1.1,537 1.051,538 1.081,539 1.203,540 1.217,541 1.173,542 1.123,543 0.808,544 1.03,545 1.527,546 1.415,547 0.707,548 0.971,549 6.5,550 0.144,551 2.667,552 2.194,553 1.489,554 1.247,555 0.32,556 0.272,557 0.181,558 0.2,559 9111,560 32739,561 1.913,562 43.8,564 18,567 3,572 1.694,573 1.742,574 3.578,575 1.091,576 1,577 1,582 88.62,583 1.846,584 3.584,585 4.512,586 4.72,587 4.845,588 4.929,589 3.006,590 4.385,591 4.727,592 3.818,593 1340.25,594 8.17,595 18587.8,597 1,599 1,600 268.078,601 1.561,602 4.65,603 0.232,604 0.007,605 0.07,606 0.059,607 0.04,608 0.04,609 0.012,610 0.014,611 0.009,612 0.01,613 0.493,614 0.33,615 0.88,616 1.209,617 137.916,618 0.178,619 0.026,620 0.061,621 0.074,622 -0.013,623 0.002,624 0.069,625 0.004,626 -0.024,627 0.006,628 0.262,629 0.092,630 -0.052,631 -0.2,632 -0.109,633 -0.235,634 -0.008,635 -0.222,636 0.117,637 -0.03,638 0.167,639 0.003,640 0.119,641 0.092,642 -0.168,643 0.128,644 -0.131,645 0.072,646 -0.206,647 -0.073,648 0.347,649 0.004,650 0.012,651 -0.044,652 0.457,653 -0.096,654 -0.137,655 -0.099,656 0.026,657 -0.013,658 -0.173,659 -0.068,660 -0.048,661 -0.039,662 -0.109,663 -0.09,664 -0.012,665 0.134,666 2.74,667 4.142,668 0.407,669 27.687,670 1.027,671 1.141,672 1.797,673 3.23,674 0.647,675 3.367,676 3.664,677 3.829,678 4.043,679 4.127,680 4.19,681 4.025,682 3.85,683 3.738,684 3.829,685 7.619,686 0.627,687 395.49,688 3.367,689 4.89,690 5.7,691 6.561,692 7.396,693 8.261,694 9.105,695 9.973,696 10.821,697 11.689,698 10.4,701 1,702 1,703 1,709 2,715 4,718 1,720 6,722 11,733 1,734 1,735 2,741 48,743 15,744 1,745 28,747 49,748 16,749 10,750 4,751 2,756 2,757 2,772 10,773 6,777 4,779 2,782 4,790 1,792 1,793 21,794 8,795 3,796 11,797 1,802 5,808 1,809 5,828 1,829 1,855 1,859 2,860 1,862 1,864 2,868 27,869 1,876 4,877 1,879 1,881 1,893 10.4,898 1,899 4,901 15.5,902 9.017,903 6.028,904 2.49,907 2.211,908 1.326,909 0.925,910 7.765,911 8.988,912 3.651,913 4.23,914 4.674,915 5.204,916 5.548,917 5.854,918 5.809,919 5.664,920 5.242,921 5.449,922 1,923 37,924 9.976,926 4.189,927 0.026,929 8.235,931 18.195,933 14.087,936 2.735,937 73.833,940 1,941 211.88,942 114.853,943 65.372,945 111.001,947 32.22,948 82.633,949 322.881,950 65.372,951 28.133,952 6.011,953 70.802,954 18.011,955 23.659,956 10.898,957 244.099,958 101.494,959 211.88,960 148.006,961 111.001,962 32.22,964 211.88,965 9.507,966 101.494,968 9.135,969 109.52,970 29.351,971 32.22,972 211.88,973 176.374,974 114.853,977 211.88,978 60.155,979 69.162,980 18.011,981 143.898,982 211.88,983 176.374,984 114.853,986 0.578,987 0.314,988 0.169,989 0.087,990 15,991 9,992 0.204,993 10,995 1,996 3.868,997 205.411,999 11,1000 122.382,1001 1,1005 21.34,1006 9.824,1007 6.303,1009 165.033,1010 5.971,1013 5.709,1015 0.945,1017 50.908,1018 503.106,1019 37.5,1021 -1.41,1024 44.023,1031 49.291,1032 54.78,1034 0.331,1035 0.642,1036 0.808,1037 0.845,1038 0.868,1039 0.882,1040 4.873,1041 1.454,1042 5.694,1043 4.233,1044 4.344,1045 4.916,1046 3.842,1047 6.466,1048 4.255,1049 6.087,1050 1.127,1051 7.238,1052 3.209,1053 4.007,1054 4.913,1055 3.025,1056 7.33,1057 3.907,1058 7.399,1059 0.833,1060 8.881,1061 2.79,1062 5.9,1063 7.112,1064 5.877,1065 10.382,1066 5.749,1067 8.747,1068 0.67,1069 10.582,1070 1.891,1071 6.33,1072 7.899,1073 5.197,1074 12.059,1075 6.172,1076 10.124,1077 0.13,1078 12.321,1079 1.572,1080 7.739,1081 9.619,1082 8.078,1083 14.638,1084 7.54,1085 11.523,1086 -0.168,1087 14.086,1088 0.323,1089 8.523,1090 10.749,1091 7.249,1092 16.664,1093 8.311,1094 12.939,1095 -0.356,1096 15.87,1097 -0.406,1098 9.743,1099 12.292,1100 10.347,1101 19.072,1102 9.498,1103 3.114,1104 -0.662,1105 17.669,1106 -0.929,1107 10.696,1108 13.577,1109 9.241,1110 21.254,1111 10.431,1112 2.763,1113 10.308,1114 19.48,1115 -1.759,1116 11.842,1117 15.051,1118 12.655,1119 23.599,1120 11.547,1121 2.663,1122 8.753,1123 21.3,1124 4.306,1125 12.876,1126 16.411,1127 11.202,1128 25.854,1129 12.556,1130 2.244,1131 7.971,1132 23.128,1133 3.743,1134 13.995,1135 17.86,1136 14.987,1137 28.178,1138 13.646,1139 2.075,1140 6.084,1141 24.962,1142 3.735,1143 15.07,1144 19.257,1145 13.145,1146 30.467,1147 14.693,1148 1.806,1149 5.735,1150 26.802,1151 3.023,1152 16.182,1153 20.698,1154 17.333,1155 32.787,1156 15.776,1157 1.693,1158 4.347,1159 28.646,1160 2.508,1161 17.277,1162 22.117,1163 15.079,1164 35.094,1165 16.842,1166 9268,1167 17867,1168 17.512,1169 31.04,1170 41.539,1171 45.897,1172 42.848,1173 41.139,1174 41.145,1175 54.383,1176 19.972,1177 114.435,1178 39.166,1179 5.456,1180 6.25,1181 6.324,1182 5.197,1183 5.114,1184 7.306,1185 6.545,1186 17.117,1187 5.02,1188 18.384,1189 1.484,1190 1.639,1191 1.53,1192 1.469,1193 1.469,1194 1.942,1195 0.713,1196 4.087,1197 1.399,1198 4.057,1199 4.085,1200 4.046,1201 3.896,1202 7.819,1203 3.918,1204 3.942,1205 3.955,1206 3.969,1207 3.802,1208 7.811,1209 3.811,1210 3.659,1211 3.689,1212 3.72,1213 3.463,1214 6.999,1215 3.403,1216 3.568,1217 3.64,1218 3.65,1219 3.287,1220 6.999,1221 3.301,1222 3.512,1223 3.579,1224 3.382,1225 3.149,1226 5.086,1227 3.24,1228 3.338,1229 3.379,1230 3.339,1231 2.989,1232 5.033,1233 3.036,1234 3.076,1235 3.153,1236 3.046,1237 2.875,1238 4.475,1239 2.874,1240 2.874,1241 3.009,1242 2.703,1243 2.618,1244 4.272,1245 2.581,1246 0.162,1247 0.152,1248 0.234,1249 0.146,1250 0.111,1251 4.535,1252 0.154,1253 4.25,1254 0.117,1255 6.557,1256 0.368,1257 4.085,1258 0.108,1259 3.114,1260 4.306,1261 3.272,1262 10.308,1263 3.02,1264 1.942,1265 1.916,1266 2.004,1267 2.146,1268 1.162,1269 2.091,1270 1.648,1271 1.592,1272 1.868,1273 1.882,1274 1.053,1275 1.881,1276 1.601,1277 1.57,1278 1.744,1279 1.847,1280 1.031,1281 1.788,1282 1.442,1283 1.384,1284 1.663,1285 1.747,1286 0.852,1287 1.684,1288 1.3,1289 1.26,1290 1.526,1291 1.646,1292 0.657,1293 1.629,1294 1.265,1295 1.215,1296 1.417,1297 1.532,1298 0.469,1299 1.534,1300 1.099,1301 1.057,1302 1.343,1303 1.515,1304 0.362,1305 1.449,1306 0.934,1307 0.804,1308 1.243,1309 1.239,1310 0.237,1311 1.308,1312 4.043,1314 5.342,1315 2.398,1316 6.806,1317 4.595,1318 8.358,1319 6.555,1320 9.967,1322 3.93,1326 5.609,1328 2.517,1329 2.917,1331 1.605,1333 2.016,1340 30.083,1341 88.62,1342 172.02,1343 216.568,1344 226.568,1345 232.568,1346 236.568,1347 84.973,1348 6.778,1349 146.07,1350 171.37,1351 11,1352 12.238,1353 4,1354 3.392,1355 58.951,1356 125,1357 118,1358 0.228,1359 194.053,1360 337.82,1361 465.249,1362 7839,1364 19.974,1365 0.74,1366 0.586,1367 20.328,1368 15.823,1369 12.774,1370 0.456,1371 0.328,1372 7.954,1373 11.444,1374 7.613,1375 6.364,1376 13.274,1377 9.193,1378 11.837,1379 0.312,1380 0.188,1381 12.335,1382 7.133,1383 8.41,1384 0.187,1385 0.1,1386 8.966,1387 4.515,1388 6.982,1389 0.125,1390 0.056,1391 7.49,1392 3.119,1393 4.804,1394 0.079,1395 0.033,1396 5.318,1397 2.034,1398 0.373,1399 87.781,1400 0.239,1401 26.639,1402 0.586,1403 132,1404 522.119,1405 171.666,1406 510.415,1407 655.08,1408 466,1409 149,1410 456.318,1411 185.763,1412 457.58,1413 650.22,1414 421,1415 7.081}
{0 CHEMBL1080274,1 1.534,2 17.976,3 6.331,4 40.082,5 168.548,6 7.118,7 0.341,8 4.487,9 4.609,10 4.063,11 4.066,12 5.457,13 3.986,14 5.078,15 5.265,16 4.442,17 4.482,18 6.017,19 4.35,20 5.377,21 5.623,22 4.401,23 4.565,24 6.242,25 4.409,26 5.422,27 5.681,28 4.25,29 4.498,30 6.304,31 4.347,32 5.377,33 5.633,34 4.36,35 4.459,36 6.404,37 4.333,38 5.342,39 5.58,40 4.384,41 4.481,42 6.403,43 4.355,44 5.358,45 5.596,46 4.333,47 4.496,48 6.379,49 4.355,50 5.326,51 5.56,52 4.37,53 4.474,54 6.312,55 4.333,56 0.054,57 1.187,58 20.25,59 8.944,60 9.127,61 11.56,62 0.44,63 1.994,64 43.081,65 15.948,66 42.914,67 20.269,68 0.589,69 2.422,70 56.803,71 19.666,72 64.572,73 26.379,74 0.611,75 2.392,76 58.876,77 19.638,78 78.009,79 26.272,80 0.9,81 2.295,82 56.446,83 18.024,84 119.623,85 24.465,86 0.882,87 2.259,88 55.585,89 18.313,90 114.007,91 24.2,92 0.715,93 2.253,94 55.497,95 19.128,96 108.017,97 24.807,98 0.68,99 2.235,100 57.661,101 18.52,102 86.493,103 23.916,104 24,105 57,106 0.232,107 0.518,108 0.738,109 0.85,110 0.872,111 0.872,112 3.741,113 1.138,114 -4.94,115 -4.84,116 -4.54,121 38.1,122 1,123 9,124 1,127 5,129 1,144 7,145 2,153 1,154 1,155 1,160 3,176 16,179 1,180 5,183 2,185 3,187 18,192 9,195 2,197 5,200 7,206 10,211 3,214 4,218 2,219 7,222 1,223 1,224 3,227 10,231 2,232 8,235 3,237 1,239 15,243 1,244 4,247 1,249 2,251 13,255 1,256 12,261 6,264 9,269 7,274 7,277 6,281 4482,282 28.059,283 28.059,284 28.059,285 28.059,286 28.059,287 25.925,288 25.388,289 17.361,290 28.727,291 21.741,292 21.741,293 21.741,294 21.741,295 21.741,296 18.39,297 27.43,298 8.322,299 22.786,300 4.858,301 2.972,302 1.517,303 0.774,304 0.628,305 0.628,306 4.435,312 1,313 1574,314 5.292,317 260.509,318 356.151,320 211.627,325 2.613,326 43.085,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.5,335 0.5,336 0.71,337 87.5,338 737,339 4.512,340 3.836,341 6.355,342 3.986,343 3.064,344 4.45,345 2.472,346 9.797,347 2.844,348 4.016,349 3.572,350 6.063,351 3.768,352 2.804,353 3.457,354 1.907,355 8.734,356 2.678,357 3.941,358 3.545,359 5.748,360 3.69,361 2.727,362 3.312,363 1.064,364 7.788,365 2.634,366 3.79,367 3.018,368 5.617,369 3.48,370 2.483,371 3.05,372 0.916,373 7.6,374 2.474,375 3.656,376 2.903,377 5.333,378 3.402,379 2.43,380 2.815,381 0.386,382 6.954,383 2.358,384 3.585,385 2.564,386 5.031,387 3.327,388 2.327,389 2.631,390 0.172,391 6.073,392 2.3,393 3.175,394 2.245,395 4.948,396 3.028,397 2.073,398 2.24,399 0.149,400 5.849,401 1.97,402 2.928,403 2.198,404 4.362,405 2.817,406 1.841,407 2.121,409 4.238,410 1.798,411 2.914,412 1.976,413 4.352,414 2.509,415 1.566,416 2.013,418 4.125,419 1.458,420 2.826,421 1.759,422 3.948,423 2.421,424 1.427,425 1.927,427 3.471,428 1.417,429 2.808,430 1.582,431 3.726,432 2.257,433 1.414,434 1.819,436 3.095,437 1.197,438 2.602,439 1.553,440 3.597,441 2.243,442 1.31,443 1.583,445 3.04,446 1.16,447 2.5,448 1.472,449 3.438,450 2.17,451 1.191,452 1.5,454 2.502,455 1.151,456 2.375,457 1.414,458 3.414,459 2.032,460 1.053,461 1.287,463 2.275,464 1.018,465 2.249,466 1.095,467 3.388,468 2,469 1,470 1.223,472 2.186,473 1,474 20.2,475 0.493,476 0.746,477 0.018,478 41.5,479 1.012,480 16.5,481 0.402,482 25,483 0.61,484 49.729,485 1.213,486 46.4,487 0.552,488 31.241,489 0.762,490 7.201,491 0.176,492 12.811,493 0.312,494 0.074,496 0.243,501 0.704,502 1.263,503 0.822,504 1.039,505 0.525,506 1.046,507 0.72,508 1.118,509 0.891,510 0.993,511 0.506,512 1.066,513 0.922,514 1.024,515 0.872,516 0.953,517 0.855,518 0.99,519 1.309,520 0.998,521 0.905,522 0.898,523 1.275,524 0.949,525 1.195,526 0.885,527 0.76,528 0.783,529 1.193,530 0.839,531 1.093,532 0.937,533 0.874,534 0.926,535 1.146,536 0.94,537 1.337,538 0.956,539 0.918,540 0.902,541 1.401,542 0.949,543 1.329,544 1.05,545 1.01,546 1.042,547 1.529,548 1.003,549 7,550 0.247,551 3.556,552 1.729,553 1.703,554 0.913,555 0.84,556 0.609,557 0.363,558 0.332,559 33314,560 77547,561 2.064,562 51.2,563 10,564 18,565 1,567 2,568 2,569 10,572 1.805,573 1.968,574 4.085,575 0.113,582 128.87,583 1.534,584 3.421,585 4.875,586 5.618,587 5.764,588 5.764,589 3.505,590 4.967,591 5.325,592 4.312,593 3536.1,594 9.405,595 69662.6,600 536.955,601 1.221,602 5.305,603 0.159,604 0.005,605 0.062,606 0.032,607 0.035,608 0.017,609 0.016,610 0.012,611 0.007,612 0.007,613 0.352,614 0.17,615 0.75,616 1.373,617 240.551,618 -0.013,619 -0.055,620 0.072,621 0.032,622 0.004,623 0.026,624 0.127,625 0.007,626 0.074,627 0.038,628 0.095,629 -0.045,630 0.037,631 -0.026,632 0.047,633 -0.011,634 0.005,635 -0.012,636 -0.104,637 -0.055,638 -0.022,639 -0.017,640 -0.085,641 -0.004,642 0.122,643 0.067,644 0.115,645 0.076,646 0.114,647 0.091,648 0.177,649 0.049,650 0.051,651 -0.011,652 0.141,653 0.011,654 -0.012,655 -0.002,656 0.007,657 0.021,658 0.02,659 0.007,660 -0.039,661 -0.06,662 0.008,663 -0.061,664 -0.083,665 -0.036,666 2.187,667 5.952,668 0.488,669 65.526,670 0.993,671 1.125,672 3.71,673 13.763,674 0.659,675 3.807,676 4.06,677 4.263,678 4.454,679 4.595,680 4.625,681 4.691,682 4.718,683 4.762,684 4.779,685 10.527,686 0.605,687 597.92,688 3.807,689 5.313,690 6.125,691 6.961,692 7.792,693 8.636,694 9.477,695 10.326,696 11.174,697 12.028,698 3.6,701 1,705 2,714 2,715 8,719 2,720 2,722 15,729 1,741 84,743 18,744 1,745 44,747 87,748 32,749 12,750 1,751 5,752 1,756 4,757 5,763 1,767 2,768 1,770 10,772 15,773 17,774 1,777 3,782 3,786 3,793 43,794 7,795 2,796 9,797 2,802 3,808 0.75,809 4,828 2,829 2,831 1,843 1,846 1,855 1,859 3,862 2,864 1,868 41,876 14,877 2,878 1,880 2,881 1,888 2,893 4.8,896 3,898 1,901 20.833,902 14.783,903 9.333,904 5.661,907 2.168,908 1.276,909 0.951,910 13.404,911 10.032,912 4.016,913 4.483,914 4.943,915 5.429,916 5.778,917 5.995,918 6.236,919 6.161,920 6.269,921 6.283,922 0.917,923 54,924 15.395,926 6.478,927 0.026,929 7.659,931 30.067,933 24.857,936 2.159,937 88.5,941 482.615,942 204.907,943 39.146,945 86.435,947 62.555,948 142.352,949 569.05,950 39.146,951 8.825,952 71.847,953 73.983,954 92.035,955 19.883,956 13.13,957 533.399,959 482.615,960 181.497,961 86.435,962 62.555,964 364.904,965 204.146,968 83.797,969 97.7,971 62.555,972 482.615,973 125.58,974 204.907,977 482.615,978 122.099,979 85.932,980 36.022,981 86.435,982 482.615,983 125.58,984 204.907,986 0.561,987 0.314,988 0.161,989 0.085,990 22,991 10,992 0.195,993 17,994 1,995 1.1,996 5.353,997 368.395,998 0.1,999 20,1000 211.66,1001 2,1005 31.938,1006 17.207,1007 10.658,1008 2.105,1009 125.58,1010 16.397,1014 3.006,1015 1.912,1017 36.022,1018 813.103,1019 54.5,1024 38.481,1028 -0.869,1031 83.439,1032 94.477,1034 0.24,1035 0.535,1036 0.763,1037 0.879,1038 0.902,1039 0.902,1040 5.23,1041 1.841,1042 6.061,1043 5.849,1044 4.745,1045 5.17,1046 3.062,1047 6.777,1048 4.657,1049 6.366,1050 1.566,1051 7.557,1052 4.238,1053 4.111,1054 4.808,1055 2.619,1056 7.466,1057 4.001,1058 7.624,1059 1.427,1060 9.152,1061 4.125,1062 6.244,1063 7.212,1064 4.249,1065 10.534,1066 6.073,1067 8.917,1068 1.414,1069 10.807,1070 3.471,1071 6.479,1072 7.793,1073 4.559,1074 12.09,1075 6.263,1076 10.247,1077 1.31,1078 12.501,1079 3.095,1080 8.011,1081 9.641,1082 5.764,1083 14.629,1084 7.746,1085 11.604,1086 1.191,1087 14.222,1088 3.04,1089 8.66,1090 10.682,1091 6.389,1092 16.553,1093 8.33,1094 12.982,1095 1.053,1096 15.964,1097 2.502,1098 9.935,1099 12.314,1100 7.424,1101 18.904,1102 9.558,1103 3.064,1104 1,1105 17.72,1106 2.275,1107 10.795,1108 13.585,1109 8.191,1110 20.999,1111 10.342,1112 2.804,1113 9.797,1114 19.488,1115 2.186,1116 11.955,1117 15.13,1118 9.154,1119 23.283,1120 11.449,1121 2.727,1122 8.734,1123 21.265,1124 4.45,1125 12.925,1126 16.514,1127 9.989,1128 25.46,1129 12.338,1130 2.483,1131 7.788,1132 23.049,1133 3.457,1134 14.037,1135 18.024,1136 10.919,1137 27.723,1138 13.39,1139 2.43,1140 7.6,1141 24.839,1142 3.312,1143 15.063,1144 19.464,1145 11.788,1146 29.942,1147 14.334,1148 2.327,1149 6.954,1150 26.635,1151 3.05,1152 16.157,1153 20.961,1154 12.704,1155 32.201,1156 15.361,1157 2.073,1158 6.073,1159 28.435,1160 2.815,1161 17.215,1162 22.427,1163 13.59,1164 34.443,1165 16.337,1166 31667,1167 48744,1168 29.701,1169 55.358,1170 63.991,1171 66.023,1172 64.935,1173 63.269,1174 63.152,1175 77.176,1176 14.134,1177 167.873,1178 60.372,1179 5.512,1180 5.836,1181 6.308,1182 5.187,1183 5.064,1184 7.45,1185 4.213,1186 16.439,1187 4.844,1188 17.987,1189 1.454,1190 1.501,1191 1.476,1192 1.438,1193 1.435,1194 1.754,1195 0.321,1196 3.815,1197 1.372,1198 4.073,1199 4.07,1200 4.507,1201 4.158,1202 7.437,1203 4.058,1204 3.963,1205 4.006,1206 3.875,1207 3.874,1208 7.427,1209 3.867,1210 3.842,1211 3.885,1212 3.768,1213 3.733,1214 7.425,1215 3.724,1216 3.798,1217 3.844,1218 3.714,1219 3.64,1220 4.815,1221 3.641,1222 3.721,1223 3.784,1224 3.642,1225 3.58,1226 4.754,1227 3.569,1228 3.579,1229 3.633,1230 3.563,1231 3.368,1232 4.457,1233 3.373,1234 3.444,1235 3.512,1236 3.457,1237 3.294,1238 4.337,1239 3.264,1240 3.388,1241 3.434,1242 3.25,1243 3.247,1244 4.158,1245 3.227,1246 0.103,1247 0.087,1248 0.144,1249 0.091,1250 0.07,1251 4.512,1252 0.101,1253 3.836,1254 0.056,1255 6.355,1256 0.223,1257 3.986,1258 0.065,1259 3.064,1260 4.45,1261 2.472,1262 9.797,1263 2.844,1264 1.934,1265 1.896,1266 2.101,1267 2.069,1268 1.481,1269 2.083,1270 1.841,1271 1.792,1272 2.02,1273 1.973,1274 1.347,1275 1.984,1276 1.767,1277 1.72,1278 2.015,1279 1.948,1280 1.232,1281 1.968,1282 1.729,1283 1.677,1284 1.919,1285 1.906,1286 1.162,1287 1.922,1288 1.636,1289 1.61,1290 1.772,1291 1.778,1292 1.013,1293 1.769,1294 1.507,1295 1.497,1296 1.751,1297 1.708,1298 0.995,1299 1.722,1300 1.452,1301 1.426,1302 1.722,1303 1.657,1304 0.882,1305 1.688,1306 1.423,1307 1.362,1308 1.513,1309 1.549,1310 0.825,1311 1.554,1312 4.489,1314 5.759,1315 3.045,1316 7.198,1317 5.352,1318 8.718,1319 7.391,1320 10.284,1322 2.132,1328 11.728,1329 5.864,1330 5.486,1332 -0.244,1333 2.501,1340 50.834,1341 128.87,1342 287.328,1343 409.529,1344 471.935,1345 484.2,1346 484.2,1347 111.212,1348 7.864,1349 87.74,1350 144.22,1351 22,1352 12.584,1353 4.248,1354 3.524,1355 76.3,1356 252,1357 281,1358 0.135,1359 320.435,1360 561.44,1361 773.621,1362 34776,1364 28.865,1365 0.704,1366 0.627,1367 29.572,1368 25.703,1369 20.012,1370 0.455,1371 0.379,1372 14.994,1373 18.596,1374 14.519,1375 12.056,1376 20.875,1377 16.686,1378 17.076,1379 0.3,1380 0.23,1381 18.373,1382 13.137,1383 13.772,1384 0.197,1385 0.141,1386 15.36,1387 9.899,1388 10.731,1389 0.126,1390 0.085,1391 12.41,1392 7.224,1393 8.198,1394 0.084,1395 0.05,1396 9.646,1397 4.947,1398 0.223,1399 132.813,1400 0.183,1401 37.926,1402 0.345,1403 202,1404 552.974,1405 271.637,1406 568.147,1407 758.04,1408 532,1409 228,1410 500.281,1411 285.999,1412 534.087,1413 778.36,1414 503,1415 6.523}
{0 CHEMBL1080386,1 1.365,2 15,3 7.026,4 49.363,5 141.732,6 6.71,7 0.462,8 4.322,9 4.449,10 3.813,11 3.882,12 5.315,13 3.837,14 4.899,15 5.087,16 4.212,17 4.317,18 5.85,19 4.249,20 5.187,21 5.393,22 4.287,23 4.514,24 6.055,25 4.41,26 5.357,27 5.612,28 4.215,29 4.543,30 6.186,31 4.401,32 5.347,33 5.609,34 4.113,35 4.458,36 6.195,37 4.303,38 5.249,39 5.532,40 4.033,41 4.323,42 6.04,43 4.182,44 5.035,45 5.269,46 4.071,47 4.274,48 5.948,49 4.171,50 5.075,51 5.301,52 4.04,53 4.279,54 6.093,55 4.17,56 0.063,57 0.984,58 16.033,59 6.798,60 11.941,61 9.407,62 0.43,63 1.672,64 29.993,65 11.457,66 38.75,67 16.335,68 0.271,69 2.151,70 40.111,71 15.529,72 35.394,73 22.074,74 0.377,75 2.432,76 48.695,77 17.826,78 52.322,79 25.941,80 0.447,81 2.283,82 48.789,83 18.025,84 61.924,85 25.734,86 0.499,87 2.005,88 44.979,89 16.031,90 54.587,91 22.893,92 0.384,93 1.757,94 35.355,95 12.951,96 39.673,97 18.335,98 0.455,99 1.781,100 37.155,101 13.421,102 63.182,103 18.611,104 27,105 57,106 0.214,107 0.517,108 0.718,109 0.824,110 0.845,111 0.845,112 3.588,113 0.969,114 -6.15,115 -5.99,116 -5.57,121 42.9,122 3,123 2,124 1,125 1,126 1,127 2,130 1,144 12,145 3,146 3,161 1,176 19,179 2,180 8,183 2,185 2,187 23,192 9,197 2,200 18,206 12,211 3,214 10,218 1,219 12,224 3,227 6,231 1,232 6,237 3,239 12,243 1,244 6,247 1,249 2,251 19,255 1,256 6,259 1,264 19,269 3,277 18,281 2421,282 23.479,283 23.479,284 23.479,285 23.479,286 23.479,287 21.213,288 33.035,289 13.597,290 23.843,291 19.227,292 19.227,293 19.227,294 19.227,295 19.227,296 15.771,297 41.976,298 6.452,299 19.822,300 4.764,301 2.824,302 1.54,303 0.865,304 0.729,305 0.729,306 4.292,312 1,313 1149,314 4.183,317 144.885,318 321.991,320 117.504,321 128.22,324 177.757,325 2.571,326 21.809,329 0.75,330 0.67,331 1,332 1,333 0.5,334 1,335 1,336 0.85,337 73.5,338 525,339 4.835,340 3.977,341 8.009,342 4.717,343 3.74,344 4.207,345 2.186,346 15.335,347 3.659,348 4.126,349 3.675,350 6.257,351 3.792,352 2.805,353 3.691,354 0.966,355 8.957,356 2.777,357 3.988,358 2.993,359 6.175,360 3.659,361 2.703,362 3.447,363 0.693,364 8.653,365 2.583,366 3.897,367 2.899,368 5.931,369 3.537,370 2.556,371 3.321,372 0.366,373 8.249,374 2.516,375 3.751,376 2.747,377 5.546,378 3.463,379 2.499,380 3.001,382 7.508,383 2.396,384 3.557,385 2.691,386 5.358,387 3.364,388 2.415,389 2.789,391 6.982,392 2.275,393 3.462,394 2.538,395 5.294,396 3.208,397 2.262,398 2.542,400 6.775,401 2.126,402 3.256,403 2.418,404 4.976,405 2.859,406 1.879,407 2.416,409 5.244,410 1.822,411 2.932,412 1.817,413 4.611,414 2.559,415 1.581,416 2.095,418 4.668,419 1.546,420 2.686,421 1.567,422 4.222,423 2.416,424 1.441,425 1.713,427 3.134,428 1.397,429 2.519,430 1.314,431 3.77,432 2.223,433 1.228,434 1.525,436 3.06,437 1.22,438 2.5,439 1.183,440 3.721,441 2.133,442 1.139,443 1.5,445 2.909,446 1.131,447 2.5,448 1,449 3.641,450 2,451 1,452 1.5,454 2.275,455 1,456 2.451,457 1,458 3.414,459 2,460 1,461 1.439,463 2.136,464 1,465 1.876,466 0.943,467 3.247,468 1.777,469 0.799,470 0.848,472 1.924,473 0.78,474 16.867,475 0.482,476 0.997,477 0.028,478 43.25,479 1.236,480 21,481 0.6,482 22.25,483 0.636,484 35.488,485 1.014,486 37.733,487 0.539,488 33.448,489 0.956,490 8.048,491 0.23,492 8.799,493 0.251,494 0.138,495 0.03,496 0.314,501 0.807,502 1.323,503 0.88,504 1.121,505 0.664,506 1.022,507 0.702,508 0.98,509 0.871,510 0.903,511 0.426,512 0.894,513 1.023,514 1.261,515 1.076,516 1.16,517 0.735,518 1.127,519 0.992,520 1.086,521 1.068,522 1.077,523 0.692,524 1.068,525 1.138,526 1.092,527 1.044,528 1.095,529 1.204,530 1.068,531 1.323,532 0.818,533 0.851,534 0.777,535 1.142,536 0.775,537 1.238,538 0.955,539 0.972,540 0.935,541 1.133,542 0.926,543 1.649,544 0.984,545 1.138,546 1.013,547 2.134,548 1.028,549 8,550 0.19,551 4.667,552 3.708,553 2.024,554 1.281,555 0.861,556 0.701,557 0.464,558 0.356,559 19992,560 40603,561 2.099,562 50,563 10,564 19,565 1,567 1,569 4,572 1.764,573 1.953,574 3.805,575 -0.458,582 95.563,583 1.365,584 3.306,585 4.589,586 5.265,587 5.4,588 5.4,589 3.365,590 4.672,591 5.091,592 4.021,593 2392.56,594 8.928,595 38150.4,600 429.05,601 1.566,602 5.051,603 0.205,604 0.006,605 0.082,606 0.063,607 0.039,608 0.028,609 0.02,610 0.015,611 0.011,612 0.01,613 0.478,614 0.33,615 0.63,616 0.694,617 191.524,618 0.019,619 -0.14,620 0.072,621 -0.039,622 -0.042,623 0.011,624 0.304,625 0.154,626 0.113,627 0.11,628 0.239,629 0.096,630 -0.064,631 -0.188,632 -0.101,633 -0.147,634 -0.021,635 -0.132,636 -0.054,637 -0.062,638 -0.082,639 -0.108,640 0.062,641 -0.094,642 0.016,643 -0.132,644 -0.043,645 -0.124,646 -0.012,647 -0.095,648 0.007,649 0.105,650 0.172,651 0.175,652 -0.017,653 0.186,654 0.022,655 0.073,656 0.039,657 0.043,658 -0.008,659 0.043,660 -0.081,661 0.026,662 -0.106,663 -0.039,664 -0.117,665 -0.07,666 2.133,667 5.593,668 0.686,669 49.006,670 0.987,671 1.122,672 4.919,673 24.197,674 0.659,675 3.689,676 4.06,677 4.369,678 4.682,679 4.913,680 5.024,681 5.231,682 5.366,683 5.451,684 5.591,685 8.479,686 0.613,687 469.68,688 3.689,689 5.263,690 6.138,691 7.048,692 7.948,693 8.871,694 9.786,695 10.719,696 11.646,697 12.587,698 4.3,701 1,704 1,705 1,715 12,720 6,722 18,736 1,737 1,741 70,743 19,744 3,745 39,747 74,748 30,749 18,750 6,751 12,756 5,757 8,763 3,764 1,766 1,767 1,770 2,772 19,773 11,774 1,777 1,782 1,786 1,793 35,794 5,795 1,796 5,802 3,808 0.6,809 2,825 1,828 2,829 3,831 1,832 1,835 1,855 1,859 3,864 4,868 35,876 4,877 1,878 1,880 2,881 2,882 1,893 2.9,896 1,898 1,901 17.917,902 13.65,903 7.514,904 4.403,907 3.002,908 1.349,909 0.972,910 6.608,911 11.608,912 3.912,913 4.483,914 5.006,915 5.539,916 6.032,917 6.157,918 6.492,919 6.754,920 6.933,921 7.241,922 1,923 59,924 12.996,926 5.553,927 0.026,929 7.517,931 25.588,933 21.797,936 2.017,937 70.583,941 400.217,942 184.944,943 24.259,945 36.145,948 184.944,949 436.362,950 24.259,951 34.872,952 27.291,953 113.715,954 25.145,955 37.562,956 18.534,957 388.446,959 400.217,960 209.203,961 36.145,964 353.133,965 83.229,968 56.891,969 152.312,972 400.217,973 60.404,974 184.944,977 400.217,978 36.357,979 154.836,980 18.011,981 36.145,982 400.217,983 60.404,984 184.944,986 0.593,987 0.349,988 0.188,989 0.101,990 29,991 13,992 0.095,993 7,994 2,995 1.167,996 4.597,997 338.088,998 0.167,999 24,1000 169.525,1005 23.902,1006 9.676,1007 4.698,1009 60.404,1010 24.666,1015 6.414,1017 18.011,1018 645.565,1019 49,1024 12.593,1028 -0.466,1031 69.098,1032 78.557,1034 0.223,1035 0.539,1036 0.749,1037 0.859,1038 0.881,1039 0.881,1040 5.19,1041 1.879,1042 6.163,1043 6.775,1044 4.745,1045 5.17,1046 2.466,1047 7.062,1048 4.685,1049 6.397,1050 1.581,1051 7.781,1052 5.244,1053 4.511,1054 4.956,1055 1.905,1056 8.346,1057 4.424,1058 7.716,1059 1.441,1060 9.517,1061 4.668,1062 6.447,1063 7.274,1064 3.531,1065 11.503,1066 6.332,1067 9.071,1068 1.228,1069 11.332,1070 3.134,1071 7.066,1072 7.826,1073 3.612,1074 13.745,1075 6.932,1076 10.463,1077 1.139,1078 13.204,1079 3.06,1080 8.53,1081 9.669,1082 4.913,1083 16.56,1084 8.374,1085 11.882,1086 1,1087 15.12,1088 2.909,1089 9.54,1090 10.591,1091 5.293,1092 19.147,1093 9.368,1094 13.325,1095 1,1096 17.072,1097 2.275,1098 10.865,1099 12.225,1100 6.388,1101 21.894,1102 10.673,1103 3.74,1104 0.799,1105 19.053,1106 2.136,1107 12.051,1108 13.353,1109 6.931,1110 24.583,1111 11.841,1112 2.805,1113 15.335,1114 21.056,1115 1.924,1116 13.348,1117 14.882,1118 7.902,1119 27.317,1120 13.119,1121 2.703,1122 8.957,1123 23.077,1124 4.207,1125 14.609,1126 16.131,1127 8.539,1128 30.035,1129 14.361,1130 2.556,1131 8.653,1132 25.112,1133 3.691,1134 15.908,1135 17.605,1136 9.436,1137 32.766,1138 15.64,1139 2.499,1140 8.249,1141 27.158,1142 3.447,1143 17.201,1144 18.927,1145 10.13,1146 35.493,1147 16.912,1148 2.415,1149 7.508,1150 29.212,1151 3.321,1152 18.508,1153 20.375,1154 10.981,1155 38.223,1156 18.198,1157 2.262,1158 6.982,1159 31.272,1160 3.001,1161 19.815,1162 21.74,1163 11.71,1164 40.952,1165 19.483,1166 18740,1167 26881,1168 25.948,1169 46.108,1170 59.807,1171 60.557,1172 61.528,1173 59.312,1174 59.338,1175 73.422,1176 8.422,1177 178.759,1178 57.644,1179 5.801,1180 5.977,1181 7.811,1182 5.809,1183 5.74,1184 7.207,1185 3.889,1186 23.869,1187 5.659,1188 17.995,1189 1.534,1190 1.553,1191 1.578,1192 1.521,1193 1.521,1194 1.883,1195 0.216,1196 4.584,1197 1.478,1198 4.103,1199 4.142,1200 4.048,1201 4.006,1202 7.435,1203 4.011,1204 3.948,1205 3.982,1206 3.882,1207 3.882,1208 4.848,1209 3.877,1210 3.909,1211 3.94,1212 3.833,1213 3.851,1214 4.749,1215 3.843,1216 3.702,1217 3.742,1218 3.622,1219 3.567,1220 4.738,1221 3.571,1222 3.543,1223 3.607,1224 3.424,1225 3.389,1226 4.431,1227 3.379,1228 3.383,1229 3.444,1230 3.253,1231 3.23,1232 4.177,1233 3.217,1234 3.332,1235 3.407,1236 3.176,1237 3.094,1238 4.097,1239 3.117,1240 3.238,1241 3.294,1242 3.086,1243 2.965,1244 3.915,1245 2.998,1246 0.124,1247 0.102,1248 0.205,1249 0.121,1250 0.096,1251 4.835,1252 0.108,1253 3.977,1254 0.056,1255 8.009,1256 0.393,1257 4.717,1258 0.094,1259 3.74,1260 4.207,1261 2.186,1262 15.335,1263 3.659,1264 1.94,1265 1.911,1266 2.069,1267 2.037,1268 1.31,1269 2.046,1270 1.921,1271 1.89,1272 2.058,1273 2.013,1274 1.26,1275 2.03,1276 1.901,1277 1.881,1278 2.003,1279 1.984,1280 1.252,1281 1.99,1282 1.635,1283 1.579,1284 1.832,1285 1.826,1286 1.043,1287 1.83,1288 1.561,1289 1.492,1290 1.798,1291 1.761,1292 1.009,1293 1.778,1294 1.539,1295 1.473,1296 1.787,1297 1.727,1298 0.909,1299 1.752,1300 1.294,1301 1.224,1302 1.6,1303 1.546,1304 0.786,1305 1.559,1306 1.174,1307 1.121,1308 1.515,1309 1.44,1310 0.633,1311 1.442,1312 4.369,1314 5.727,1315 3.045,1316 7.277,1317 5.638,1318 8.92,1319 7.928,1320 10.622,1322 8.839,1328 4.228,1329 2.848,1330 5.7,1332 0.764,1333 4.995,1334 0.003,1340 42.923,1341 95.563,1342 231.393,1343 321.236,1344 368.52,1345 378.03,1346 378.03,1347 56.572,1348 8.606,1349 44.81,1350 44.81,1351 28,1352 13.085,1353 4.322,1354 3.459,1355 52.481,1356 175,1357 189,1358 0.144,1359 260.675,1360 457.24,1361 627.807,1362 75907,1364 24.579,1365 0.702,1366 0.603,1367 24.579,1368 21.122,1369 16.847,1370 0.432,1371 0.323,1372 12.472,1373 16.4,1374 12.005,1375 10.016,1376 16.847,1377 12.591,1378 15.822,1379 0.278,1380 0.182,1381 15.822,1382 10.394,1383 13.4,1384 0.172,1385 0.099,1386 13.4,1387 7.729,1388 11.567,1389 0.108,1390 0.054,1391 11.567,1392 5.805,1393 9.216,1394 0.068,1395 0.03,1396 9.216,1397 4.032,1398 0.232,1399 104.082,1400 0.196,1401 32.665,1402 0.382,1403 192,1404 445.094,1405 205.692,1406 437.801,1407 615.72,1408 412,1409 231,1410 470.444,1411 244.975,1412 480.899,1413 707.97,1414 452,1415 4.523}
{0 CHEMBL1080631,1 1.394,2 17.795,3 5.519,4 30.456,5 155.101,6 6.379,7 0.293,8 4.471,9 4.606,10 3.884,11 3.98,12 5.445,13 3.924,14 5.06,15 5.262,16 4.169,17 4.366,18 5.997,19 4.265,20 5.386,21 5.643,22 4.215,23 4.509,24 6.247,25 4.37,26 5.437,27 5.705,28 4.167,29 4.463,30 6.33,31 4.324,32 5.389,33 5.654,34 4.212,35 4.421,36 6.408,37 4.303,38 5.344,39 5.595,40 4.229,41 4.441,42 6.384,43 4.322,44 5.372,45 5.622,46 4.195,47 4.442,48 6.397,49 4.318,50 5.34,51 5.593,52 4.116,53 4.403,54 6.316,55 4.273,56 0.068,57 1.154,58 19.92,59 8.29,60 9.993,61 11.666,62 0.445,63 1.855,64 36.635,65 13.514,66 43.947,67 19.724,68 0.552,69 2.287,70 50.824,71 17.619,72 66.107,73 26.069,74 0.62,75 2.27,76 54.153,77 17.365,78 84.942,79 25.821,80 0.904,81 2.164,82 52.166,83 16.224,84 124.933,85 24.125,86 0.828,87 2.128,88 49.575,89 16.527,90 113.147,91 24.097,92 0.718,93 2.126,94 50.944,95 17.044,96 113.734,97 24.563,98 0.644,99 2.075,100 49.35,101 16.115,102 94.154,103 23.502,104 24,105 51,106 0.212,107 0.483,108 0.694,109 0.821,110 0.859,111 0.863,112 3.692,113 1.069,114 -4.94,115 -4.84,116 -4.54,121 38.1,122 1,123 9,124 1,127 5,129 1,144 10,145 2,160 3,176 20,179 1,180 6,183 2,185 4,187 18,192 9,195 2,197 5,200 8,206 11,211 4,214 5,218 2,219 8,222 1,223 1,224 2,227 11,231 2,232 8,235 3,237 1,239 16,243 1,244 7,247 1,249 3,251 14,255 1,256 10,261 6,264 9,269 8,274 8,277 9,281 3810,282 26.664,283 26.664,284 26.664,285 26.664,286 26.664,287 24.785,288 25.388,289 16.807,290 26.952,291 20.253,292 20.253,293 20.253,294 20.253,295 20.253,296 17.404,297 27.43,298 8.055,299 20.64,300 4.999,301 3.219,302 1.83,303 0.997,304 0.747,305 0.723,306 4.378,312 1,313 1448,314 5.196,318 514.431,325 2.58,326 41.783,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 83.5,338 694,339 4.173,340 3.835,341 6.145,342 3.884,343 2.895,344 3.677,345 2.472,346 8.997,347 2.858,348 3.941,349 3.572,350 5.896,351 3.69,352 2.727,353 3.457,354 1.907,355 8.127,356 2.636,357 3.909,358 3.532,359 5.617,360 3.642,361 2.645,362 3.106,363 1.064,364 7.788,365 2.619,366 3.657,367 3.018,368 5.333,369 3.479,370 2.482,371 2.816,372 0.916,373 6.954,374 2.473,375 3.585,376 2.564,377 5.031,378 3.335,379 2.33,380 2.631,381 0.386,382 6.073,383 2.327,384 3.267,385 2.248,386 4.948,387 3.028,388 2.073,389 2.52,390 0.172,391 5.849,392 1.97,393 3.175,394 2.24,395 4.416,396 2.848,397 1.874,398 2.24,399 0.149,400 4.444,401 1.823,402 2.846,403 2.138,404 4.052,405 2.768,406 1.762,407 1.928,409 3.722,410 1.768,411 2.825,412 1.973,413 3.735,414 2.467,415 1.505,416 1.853,418 3.292,419 1.435,420 2.684,421 1.582,422 3.597,423 2.419,424 1.425,425 1.684,427 3.048,428 1.411,429 2.5,430 1.553,431 3.478,432 2.17,433 1.191,434 1.5,436 2.598,437 1.161,438 2.5,439 1.472,440 3.414,441 2.12,442 1.128,443 1.5,445 2.393,446 1.112,447 2.487,448 1.323,449 3.391,450 2,451 1,452 1.419,454 2.275,455 1,456 2.249,457 1.093,458 3.247,459 2,460 1,461 1.223,463 2.136,464 1,465 2.176,466 1.077,467 3.247,468 1.984,469 1,470 1.107,472 2.136,473 0.983,474 18.533,475 0.475,476 0.626,477 0.016,478 40,479 1.026,480 16.5,481 0.423,482 23.5,483 0.603,484 43.537,485 1.116,486 45.067,487 0.537,488 32.295,489 0.828,490 7.44,491 0.191,492 11.606,493 0.298,494 0.081,496 0.21,501 0.71,502 1.413,503 0.954,504 1.261,505 0.534,506 1.152,507 0.727,508 1.253,509 1.067,510 1.2,511 0.52,512 1.173,513 0.929,514 1.078,515 0.997,516 1.053,517 0.841,518 1.034,519 1.34,520 1.037,521 1.038,522 0.979,523 1.294,524 0.97,525 1.282,526 0.89,527 0.972,528 0.856,529 1.255,530 0.868,531 1.069,532 0.948,533 0.985,534 0.978,535 1.081,536 0.968,537 1.344,538 1.009,539 1.033,540 1,541 1.36,542 0.985,543 1.463,544 1.019,545 1.107,546 0.995,547 1.587,548 1.007,549 6,550 0.202,551 3.111,552 1.5,553 1.364,554 0.979,555 0.711,556 0.467,557 0.349,558 0.221,559 28123,560 60870,561 2.024,562 53.6,563 10,564 21,567 2,568 2,569 10,572 1.792,573 1.934,574 4.069,575 0.085,582 117.066,583 1.394,584 3.173,585 4.562,586 5.395,587 5.645,588 5.669,589 3.513,590 4.805,591 5.253,592 4.288,593 3177.48,594 9.257,595 60597.2,600 536.955,601 1.173,602 5.235,603 0.146,604 0.005,605 0.061,606 0.029,607 0.029,608 0.02,609 0.014,610 0.01,611 0.008,612 0.005,613 0.327,614 0.17,615 0.75,616 1.421,617 225.957,618 -0.009,619 -0.109,620 0.037,621 -0.04,622 0.004,623 -0.002,624 0.13,625 -0.084,626 -0.07,627 -0.112,628 0.09,629 -0.116,630 0.021,631 -0.055,632 -0.008,633 -0.056,634 0.007,635 -0.039,636 -0.103,637 -0.07,638 -0.019,639 -0.03,640 -0.078,641 -0.016,642 0.078,643 0.087,644 0.067,645 0.077,646 0.083,647 0.073,648 0.161,649 0.06,650 0.039,651 -0.001,652 0.137,653 0.005,655 -0.039,656 -0.002,657 -0.02,658 0.039,659 -0.013,660 -0.116,661 -0.037,662 -0.073,663 -0.027,664 -0.108,665 -0.044,666 2.191,667 5.745,668 0.462,669 60.797,670 0.99,671 1.132,672 3.71,673 13.763,674 0.629,675 3.738,676 3.951,677 4.111,678 4.248,679 4.419,680 4.357,681 4.419,682 4.454,683 4.489,684 4.489,685 10.311,686 0.583,687 535.8,688 3.738,689 5.22,690 6.009,691 6.821,692 7.626,693 8.444,694 9.257,695 10.079,696 10.897,697 11.721,698 3.6,701 1,705 2,715 10,720 2,722 12,729 1,741 84,743 15,744 2,745 41,747 86,748 32,749 12,750 2,751 10,752 1,756 3,757 3,763 1,767 2,768 1,770 10,772 15,773 17,774 1,777 3,782 3,786 3,793 45,794 7,795 2,796 7,802 3,808 1,809 4,829 3,843 1,846 1,855 1,859 3,864 1,868 39,876 14,877 2,878 1,880 2,881 1,893 4.8,896 3,898 1,901 20.167,902 14.617,903 9.056,904 5.668,907 1.506,908 1.201,909 0.928,910 14.088,911 8.984,912 3.932,913 4.317,914 4.668,915 5.012,916 5.402,917 5.205,918 5.371,919 5.396,920 5.541,921 5.641,922 0.917,923 51,924 14.627,926 6.032,927 0.026,929 7.692,931 28.455,933 22.97,936 2.192,937 85.5,941 506.157,942 162.385,943 39.146,945 86.435,948 162.385,949 592.592,950 39.146,951 8.825,952 71.847,953 94.762,954 92.035,955 20.495,957 506.157,959 506.157,960 201.531,961 86.435,964 388.446,965 204.146,968 83.797,969 117.734,972 506.157,973 125.58,974 162.385,977 506.157,978 58.798,979 106.712,980 36.022,981 86.435,982 506.157,983 125.58,984 162.385,986 0.552,987 0.304,988 0.154,989 0.084,990 17,991 8,992 0.198,993 17,995 1,996 5.158,997 332.112,999 18,1000 194.131,1005 30.848,1006 17.811,1007 11.93,1009 125.58,1010 19.335,1015 1.819,1017 36.022,1018 794.123,1019 50,1024 37.985,1028 -0.931,1031 83.17,1032 95.052,1034 0.218,1035 0.496,1036 0.714,1037 0.844,1038 0.883,1039 0.887,1040 5.124,1041 1.762,1042 5.922,1043 4.444,1044 4.635,1045 5.004,1046 3.062,1047 6.586,1048 4.599,1049 6.226,1050 1.505,1051 7.387,1052 3.722,1053 3.892,1054 4.407,1055 2.619,1056 7.182,1057 3.861,1058 7.451,1059 1.425,1060 8.952,1061 3.292,1062 6.084,1063 6.879,1064 4.249,1065 10.231,1066 6.012,1067 8.704,1068 1.191,1069 10.578,1070 3.048,1071 6.196,1072 7.098,1073 4.559,1074 11.691,1075 6.13,1076 9.991,1077 1.128,1078 12.245,1079 2.598,1080 7.784,1081 9.048,1082 5.764,1083 14.198,1084 7.68,1085 11.3,1086 1,1087 13.94,1088 2.393,1089 8.319,1090 9.659,1091 6.389,1092 16.022,1093 8.217,1094 12.626,1095 1,1096 15.655,1097 2.275,1098 9.623,1099 11.374,1100 7.424,1101 18.325,1102 9.49,1103 2.895,1104 1,1105 17.385,1106 2.136,1107 10.385,1108 12.203,1109 8.191,1110 20.32,1111 10.247,1112 2.727,1113 8.997,1114 19.126,1115 2.136,1116 11.547,1117 13.784,1118 9.154,1119 22.54,1120 11.384,1121 2.645,1122 8.127,1123 20.876,1124 3.677,1125 12.433,1126 14.753,1127 9.989,1128 24.619,1129 12.261,1130 2.482,1131 7.788,1132 22.633,1133 3.457,1134 13.525,1135 16.247,1136 10.919,1137 26.807,1138 13.332,1139 2.33,1140 6.954,1141 24.396,1142 3.106,1143 14.478,1144 17.31,1145 11.788,1146 28.93,1147 14.272,1148 2.073,1149 6.073,1150 26.163,1151 2.816,1152 15.537,1153 18.744,1154 12.704,1155 31.106,1156 15.313,1157 1.874,1158 5.849,1159 27.935,1160 2.631,1161 16.527,1162 19.874,1163 13.59,1164 33.254,1165 16.29,1166 27360,1167 40470,1168 27.504,1169 52.824,1170 58.524,1171 60.551,1172 59.361,1173 58.009,1174 58.009,1175 69.472,1176 14.134,1177 147.916,1178 57.04,1179 5.173,1180 5.835,1181 6.098,1182 4.933,1183 4.895,1184 6.677,1185 4.213,1186 15.343,1187 4.858,1188 17.487,1189 1.427,1190 1.477,1191 1.448,1192 1.415,1193 1.415,1194 1.694,1195 0.345,1196 3.608,1197 1.391,1198 3.984,1199 4.031,1200 3.899,1201 3.888,1202 7.437,1203 3.883,1204 3.921,1205 3.952,1206 3.851,1207 3.844,1208 7.427,1209 3.84,1210 3.836,1211 3.881,1212 3.731,1213 3.731,1214 7.425,1215 3.722,1216 3.784,1217 3.83,1218 3.677,1219 3.632,1220 4.762,1221 3.631,1222 3.718,1223 3.778,1224 3.564,1225 3.573,1226 4.725,1227 3.565,1228 3.569,1229 3.625,1230 3.47,1231 3.335,1232 4.456,1233 3.356,1234 3.434,1235 3.51,1236 3.261,1237 3.251,1238 4.337,1239 3.237,1240 3.347,1241 3.406,1242 3.221,1243 3.144,1244 4.155,1245 3.157,1246 0.102,1247 0.094,1248 0.15,1249 0.095,1250 0.071,1251 4.173,1252 0.09,1253 3.835,1254 0.06,1255 6.145,1256 0.219,1257 3.884,1258 0.07,1259 2.895,1260 3.677,1261 2.472,1262 8.997,1263 2.858,1264 1.934,1265 1.896,1266 2.101,1267 2.069,1268 1.481,1269 2.083,1270 1.906,1271 1.88,1272 2.025,1273 2.013,1274 1.347,1275 2.014,1276 1.841,1277 1.791,1278 2.017,1279 1.961,1280 1.233,1281 1.98,1282 1.762,1283 1.706,1284 2.014,1285 1.936,1286 1.162,1287 1.964,1288 1.708,1289 1.657,1290 1.909,1291 1.891,1292 1.071,1293 1.902,1294 1.498,1295 1.436,1296 1.772,1297 1.754,1298 1.013,1299 1.749,1300 1.441,1301 1.363,1302 1.728,1303 1.662,1304 0.994,1305 1.695,1306 1.29,1307 1.239,1308 1.513,1309 1.537,1310 0.825,1311 1.533,1312 4.419,1314 5.659,1316 7.079,1318 8.578,1320 10.117,1322 2.127,1328 11.698,1329 5.781,1330 5.437,1332 -0.249,1333 2.497,1340 48.986,1341 117.066,1342 266.541,1343 383.206,1344 453.18,1345 474.2,1346 476.2,1347 120.757,1348 7.478,1349 87.74,1350 87.74,1351 18,1352 12.3,1353 4,1354 3.322,1355 84.063,1356 238,1357 252,1358 0.16,1359 305.566,1360 547.68,1361 737.342,1362 21165,1364 27.711,1365 0.711,1366 0.6,1367 27.711,1368 23.408,1369 19.046,1370 0.465,1371 0.356,1372 14.458,1373 18.474,1374 14.15,1375 11.805,1376 19.046,1377 14.603,1378 15.791,1379 0.31,1380 0.206,1381 15.791,1382 10.503,1383 12.394,1384 0.207,1385 0.123,1386 12.394,1387 7.359,1388 9.361,1389 0.136,1390 0.072,1391 9.361,1392 4.937,1393 7.374,1394 0.09,1395 0.042,1396 7.374,1397 3.433,1398 0.265,1399 118.391,1400 0.191,1401 36.517,1402 0.407,1403 184,1404 501.253,1405 200.152,1406 477.274,1407 630.38,1408 446,1409 203,1410 434.138,1411 218.409,1412 437.209,1413 628.46,1414 412,1415 6.276}
{0 CHEMBL1080813,1 1.484,2 17.711,3 5.472,4 29.944,5 153.935,6 6.689,7 0.275,8 4.439,9 4.57,10 3.928,11 3.971,12 5.407,13 3.901,14 5.032,15 5.23,16 4.227,17 4.361,18 5.965,19 4.244,20 5.343,21 5.599,22 4.23,23 4.464,24 6.197,25 4.317,26 5.39,27 5.656,28 4.169,29 4.43,30 6.283,31 4.288,32 5.357,33 5.62,34 4.224,35 4.412,36 6.364,37 4.278,38 5.312,39 5.558,40 4.298,41 4.429,42 6.349,43 4.299,44 5.326,45 5.572,46 4.212,47 4.417,48 6.354,49 4.279,50 5.283,51 5.533,52 4.147,53 4.368,54 6.242,55 4.22,56 0.058,57 1.132,58 19.749,59 8.323,60 9.183,61 11.246,62 0.439,63 1.836,64 37.738,65 13.876,66 42.873,67 19.206,68 0.589,69 2.217,70 52.749,71 17.349,72 63.506,73 24.887,74 0.595,75 2.2,76 53.654,77 17.319,78 80.274,79 24.78,80 0.901,81 2.139,82 53.15,83 16.747,84 121.648,85 23.686,86 0.856,87 2.105,88 52.829,89 17.043,90 107.935,91 23.589,92 0.686,93 2.078,94 51.801,95 17.311,96 108.858,97 23.733,98 0.68,99 2.014,100 51.429,101 16.088,102 88.932,103 22.387,104 24,105 50,106 0.228,107 0.504,108 0.732,109 0.85,110 0.873,111 0.873,112 3.667,113 1.123,114 -4.64,115 -4.56,116 -4.29,121 37,122 1,123 9,124 1,127 5,129 1,144 7,145 1,153 1,154 1,160 3,176 15,179 1,180 5,183 2,185 3,187 14,192 9,195 2,197 5,200 5,206 10,211 3,214 4,218 2,219 5,222 1,223 1,224 1,227 10,231 2,232 8,235 3,237 1,239 15,243 1,244 4,247 1,249 2,251 11,255 1,256 8,261 6,264 7,269 7,274 7,277 6,281 3490,282 25.957,283 25.957,284 25.957,285 25.957,286 25.957,287 24.208,288 25.388,289 16.307,290 26.446,291 19.753,292 19.753,293 19.753,294 19.753,295 19.753,296 17.071,297 27.43,298 7.805,299 20.467,300 4.855,301 3.057,302 1.573,303 0.803,304 0.651,305 0.651,306 4.351,312 1,313 1406,314 5.196,317 144.44,318 332.496,325 2.568,326 41.298,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 81.5,338 673,339 4.184,340 3.835,341 6.146,342 3.865,343 2.9,344 3.703,345 2.472,346 9.001,347 2.788,348 3.941,349 3.572,350 5.898,351 3.69,352 2.727,353 3.457,354 1.907,355 8.136,356 2.634,357 3.913,358 3.533,359 5.617,360 3.614,361 2.653,362 3.107,363 1.064,364 7.788,365 2.536,366 3.657,367 3.018,368 5.333,369 3.478,370 2.482,371 2.816,372 0.916,373 6.954,374 2.472,375 3.585,376 2.564,377 5.031,378 3.335,379 2.33,380 2.631,381 0.386,382 6.073,383 2.325,384 3.225,385 2.255,386 4.948,387 3.028,388 2.073,389 2.427,390 0.172,391 5.849,392 1.97,393 3.175,394 2.243,395 4.424,396 2.831,397 1.869,398 2.24,399 0.149,400 4.462,401 1.803,402 2.836,403 2.145,404 4.055,405 2.703,406 1.732,407 1.928,409 3.703,410 1.65,411 2.825,412 1.973,413 3.733,414 2.441,415 1.477,416 1.837,418 3.267,419 1.425,420 2.623,421 1.582,422 3.597,423 2.414,424 1.424,425 1.598,427 3.047,428 1.391,429 2.5,430 1.553,431 3.44,432 2.17,433 1.191,434 1.5,436 2.519,437 1.161,438 2.28,439 1.472,440 3.414,441 2.053,442 1.063,443 1.224,445 2.275,446 1.043,447 2.246,448 1.098,449 3.247,450 2,451 1,452 1.185,454 2.136,455 1,456 2.168,457 1.077,458 3.231,459 1.984,460 1,461 1.044,463 2.129,464 0.983,465 2.118,466 1.032,467 3.155,468 1.747,469 0.787,470 1,472 1.842,473 0.739,474 18.367,475 0.483,476 0.626,477 0.016,478 37.5,479 0.987,480 14.5,481 0.382,482 23,483 0.605,484 44.196,485 1.163,486 44.033,487 0.544,488 28.753,489 0.757,490 6.71,491 0.177,492 11.836,493 0.311,494 0.082,496 0.212,501 0.71,502 1.375,503 0.884,504 1.164,505 0.529,506 1.123,507 0.729,508 1.216,509 1.017,510 1.131,511 0.513,512 1.144,513 0.92,514 1.081,515 0.941,516 1.039,517 0.851,518 1.029,519 1.298,520 1.016,521 0.899,522 0.904,523 1.249,524 0.95,525 1.239,526 0.854,527 0.894,528 0.805,529 1.215,530 0.865,531 0.984,532 0.954,533 0.934,534 0.995,535 1.017,536 0.961,537 1.274,538 1.014,539 0.977,540 0.982,541 1.307,542 0.989,543 1.41,544 1.006,545 1.069,546 0.988,547 1.582,548 0.999,549 6,550 0.189,551 3.111,552 1.34,553 1.423,554 0.858,555 0.71,556 0.48,557 0.312,558 0.225,559 26397,560 60192,561 2.025,562 53.1,563 10,564 18,565 1,567 2,568 2,569 10,572 1.786,573 1.932,574 4.053,575 0.123,582 120.237,583 1.484,584 3.283,585 4.767,586 5.537,587 5.689,588 5.689,589 3.514,590 4.702,591 5.216,592 4.276,593 3005.83,594 9.178,595 56300.8,600 513.528,601 1.19,602 5.196,603 0.15,604 0.005,605 0.062,606 0.028,607 0.031,608 0.018,609 0.014,610 0.01,611 0.007,612 0.005,613 0.331,614 0.17,615 0.75,616 1.447,617 218.687,618 -0.012,619 -0.096,620 0.059,621 -0.006,622 0.005,623 0.006,624 0.125,625 -0.061,626 -0.034,627 -0.067,628 0.092,629 -0.098,630 0.037,631 -0.075,632 0.004,633 -0.079,634 0.004,635 -0.045,636 -0.097,637 -0.068,638 -0.001,639 -0.017,640 -0.068,641 -0.004,642 0.065,643 0.109,644 0.054,645 0.093,646 0.07,647 0.072,648 0.198,649 0.049,650 0.074,651 -0.016,652 0.147,653 0.014,654 0.009,655 -0.051,657 -0.024,658 0.051,659 -0.019,660 -0.109,661 -0.026,662 -0.045,663 -0.017,664 -0.13,665 -0.037,666 2.171,667 5.687,668 0.447,669 58.352,670 0.992,671 1.13,672 3.408,673 11.611,674 0.638,675 3.714,676 3.932,677 4.094,678 4.234,679 4.344,680 4.331,681 4.369,682 4.431,683 4.443,684 4.419,685 10.201,686 0.588,687 541.83,688 3.714,689 5.198,690 5.989,691 6.804,692 7.61,693 8.431,694 9.245,695 10.069,696 10.888,697 11.714,698 3.7,701 1,705 2,715 8,719 1,720 2,722 11,729 1,741 81,743 14,744 1,745 40,747 83,748 30,749 10,750 1,751 5,752 1,756 3,757 3,763 1,767 2,768 1,770 10,772 13,773 17,774 1,777 3,782 3,786 3,793 43,794 7,795 2,796 8,797 1,802 3,808 1,809 4,828 1,829 2,843 1,846 1,855 1,859 3,862 1,864 1,868 38,876 14,877 2,878 1,880 2,881 1,888 1,893 4.9,896 3,898 1,901 19.667,902 14.117,903 8.806,904 5.46,907 1.315,908 1.178,909 0.93,910 14.028,911 8.721,912 3.902,913 4.287,914 4.636,915 4.978,916 5.172,917 5.118,918 5.133,919 5.325,920 5.414,921 5.399,922 0.917,923 48,924 14.26,926 5.896,927 0.026,929 7.693,931 27.779,933 22.517,936 2.193,937 83.333,941 482.615,942 171.056,943 39.146,945 86.435,947 31.278,948 139.779,949 569.05,950 39.146,951 8.825,952 71.847,953 73.983,954 92.035,955 17.31,956 13.13,957 502.122,959 482.615,960 178.924,961 86.435,962 31.278,964 364.904,965 204.146,968 83.797,969 95.127,971 31.278,972 482.615,973 125.58,974 171.056,977 482.615,978 88.248,979 85.932,980 36.022,981 86.435,982 482.615,983 125.58,984 171.056,986 0.553,987 0.306,988 0.154,989 0.079,990 17,991 8,992 0.205,993 17,995 1,996 5.09,997 320.208,999 17,1000 191.421,1001 1,1005 30.463,1006 17.498,1007 11.692,1009 125.58,1010 15.89,1014 1.314,1015 1.883,1017 36.022,1018 779.252,1019 48.5,1024 37.759,1028 -0.883,1031 80.363,1032 91.557,1034 0.234,1035 0.518,1036 0.752,1037 0.873,1038 0.897,1039 0.897,1040 5.098,1041 1.732,1042 5.905,1043 4.462,1044 4.615,1045 4.973,1046 3.062,1047 6.575,1048 4.55,1049 6.201,1050 1.477,1051 7.375,1052 3.703,1053 3.892,1054 4.407,1055 2.619,1056 7.182,1057 3.822,1058 7.429,1059 1.424,1060 8.943,1061 3.267,1062 6.071,1063 6.847,1064 4.249,1065 10.227,1066 5.942,1067 8.686,1068 1.191,1069 10.572,1070 3.047,1071 6.217,1072 7.159,1073 4.559,1074 11.697,1075 6.068,1076 9.977,1077 1.063,1078 12.241,1079 2.519,1080 7.775,1081 9.016,1082 5.764,1083 14.198,1084 7.583,1085 11.291,1086 1,1087 13.938,1088 2.275,1089 8.34,1090 9.742,1091 6.389,1092 16.027,1093 8.116,1094 12.622,1095 1,1096 15.655,1097 2.136,1098 9.621,1099 11.348,1100 7.424,1101 18.328,1102 9.361,1103 2.9,1104 0.787,1105 17.386,1106 2.129,1107 10.404,1108 12.294,1109 8.191,1110 20.325,1111 10.105,1112 2.727,1113 9.001,1114 19.128,1115 1.842,1116 11.552,1117 13.775,1118 9.154,1119 22.544,1120 11.219,1121 2.653,1122 8.136,1123 20.878,1124 3.703,1125 12.451,1126 14.847,1127 9.989,1128 24.624,1129 12.075,1130 2.482,1131 7.788,1132 22.636,1133 3.457,1134 13.536,1135 16.258,1136 10.919,1137 26.813,1138 13.124,1139 2.33,1140 6.954,1141 24.399,1142 3.107,1143 14.497,1144 17.408,1145 11.788,1146 28.936,1147 14.042,1148 2.073,1149 6.073,1150 26.167,1151 2.816,1152 15.553,1153 18.777,1154 12.704,1155 31.114,1156 15.06,1157 1.869,1158 5.849,1159 27.939,1160 2.631,1161 16.548,1162 19.976,1163 13.59,1164 33.261,1165 16.012,1166 25669,1167 39045,1168 26.811,1169 51.711,1170 57.389,1171 58.884,1172 57.849,1173 56.541,1174 56.608,1175 67.356,1176 14.134,1177 145.108,1178 54.745,1179 5.184,1180 5.835,1181 6.099,1182 4.951,1183 4.9,1184 6.703,1185 4.213,1186 15.361,1187 4.788,1188 17.239,1189 1.435,1190 1.472,1191 1.446,1192 1.414,1193 1.415,1194 1.684,1195 0.353,1196 3.628,1197 1.369,1198 3.977,1199 4.025,1200 4.226,1201 3.921,1202 7.437,1203 3.878,1204 3.897,1205 3.917,1206 3.874,1207 3.868,1208 7.427,1209 3.829,1210 3.833,1211 3.876,1212 3.743,1213 3.732,1214 7.425,1215 3.721,1216 3.774,1217 3.816,1218 3.689,1219 3.634,1220 4.758,1221 3.628,1222 3.715,1223 3.77,1224 3.564,1225 3.573,1226 4.64,1227 3.564,1228 3.565,1229 3.62,1230 3.472,1231 3.333,1232 4.455,1233 3.353,1234 3.432,1235 3.508,1236 3.257,1237 3.251,1238 4.337,1239 3.236,1240 3.336,1241 3.395,1242 3.212,1243 3.131,1244 4.154,1245 3.143,1246 0.105,1247 0.096,1248 0.154,1249 0.097,1250 0.072,1251 4.184,1252 0.093,1253 3.835,1254 0.062,1255 6.146,1256 0.225,1257 3.865,1258 0.07,1259 2.9,1260 3.703,1261 2.472,1262 9.001,1263 2.788,1264 1.934,1265 1.896,1266 2.101,1267 2.069,1268 1.481,1269 2.083,1270 1.841,1271 1.792,1272 2.02,1273 1.973,1274 1.347,1275 1.983,1276 1.766,1277 1.717,1278 2.015,1279 1.948,1280 1.232,1281 1.968,1282 1.725,1283 1.672,1284 1.919,1285 1.906,1286 1.162,1287 1.922,1288 1.547,1289 1.519,1290 1.772,1291 1.772,1292 1.013,1293 1.761,1294 1.481,1295 1.424,1296 1.732,1297 1.679,1298 0.995,1299 1.704,1300 1.439,1301 1.38,1302 1.669,1303 1.625,1304 0.825,1305 1.643,1306 1.38,1307 1.352,1308 1.513,1309 1.522,1310 0.742,1311 1.54,1312 4.394,1314 5.638,1315 2.398,1316 7.052,1317 4.443,1318 8.543,1319 6.293,1320 10.076,1322 2.128,1328 11.771,1329 5.775,1330 5.422,1332 -0.224,1333 2.498,1340 47.646,1341 120.237,1342 265.902,1343 386.102,1344 448.508,1345 460.773,1346 460.773,1347 116.278,1348 7.407,1349 87.74,1350 115.98,1351 17,1352 12.292,1353 3.907,1354 3.248,1355 80.681,1356 231,1357 238,1358 0.16,1359 300.44,1360 534.23,1361 724.834,1362 19221,1364 27.004,1365 0.711,1366 0.618,1367 27.357,1368 23.478,1369 18.546,1370 0.464,1371 0.374,1372 14.02,1373 17.488,1374 13.642,1375 11.361,1376 19,1377 14.967,1378 15.438,1379 0.309,1380 0.221,1381 16.021,1382 11.062,1383 12.144,1384 0.206,1385 0.135,1386 12.86,1387 7.937,1388 9.185,1389 0.135,1390 0.079,1391 9.795,1392 5.369,1393 6.762,1394 0.089,1395 0.045,1396 7.042,1397 3.435,1398 0.264,1399 119.933,1400 0.193,1401 35.799,1402 0.405,1403 180,1404 502.113,1405 218.435,1406 496.302,1407 653.96,1408 464,1409 199,1410 434.538,1411 233.615,1412 450.347,1413 649.13,1414 424,1415 6.301}
{0 CHEMBL1080814,1 1.569,2 17.795,3 6.221,4 38.695,5 161.558,6 7.663,7 0.268,8 4.442,9 4.568,10 4.05,11 3.996,12 5.412,13 3.922,14 5.034,15 5.228,16 4.402,17 4.395,18 5.978,19 4.273,20 5.347,21 5.596,22 4.543,23 4.516,24 6.216,25 4.354,26 5.391,27 5.655,28 4.266,29 4.446,30 6.282,31 4.302,32 5.36,33 5.618,34 4.439,35 4.43,36 6.391,37 4.299,38 5.314,39 5.557,40 4.391,41 4.451,42 6.353,43 4.316,44 5.329,45 5.57,46 4.396,47 4.455,48 6.358,49 4.31,50 5.29,51 5.529,52 4.482,53 4.413,54 6.285,55 4.264,56 0.045,57 1.123,58 18.254,59 8.37,60 8.711,61 11.044,62 0.425,63 1.837,64 38.605,65 14.396,66 43.439,67 19.218,68 0.611,69 2.237,70 72.267,71 19.37,72 66.582,73 25.549,74 0.602,75 2.226,76 57.154,77 18.266,78 81.166,79 25.083,80 0.969,81 2.163,82 61.077,83 17.503,84 127.449,85 23.9,86 0.858,87 2.125,88 57.857,89 17.983,90 109.617,91 23.896,92 0.694,93 2.098,94 59.337,95 18.591,96 108.808,97 24.213,98 0.784,99 2.035,100 67.656,101 17.658,102 96.36,103 22.891,104 33,105 52,106 0.241,107 0.52,108 0.739,109 0.85,110 0.873,111 0.873,112 3.692,113 1.16,114 -5.19,115 -5.08,116 -4.76,119 1,121 37,122 1,123 9,124 1,127 5,129 1,144 6,145 1,146 1,153 1,154 1,160 3,176 14,179 1,180 5,183 2,185 3,187 14,192 9,195 2,197 5,200 6,206 9,211 2,214 4,218 2,219 6,222 1,223 1,224 2,227 10,231 2,232 8,235 3,237 1,239 14,243 1,244 2,247 1,249 2,251 11,255 1,256 10,261 6,264 8,269 6,274 6,277 5,281 3808,282 26.405,283 26.405,284 26.405,285 26.405,286 26.405,287 24.631,288 27.032,289 16.444,290 27.045,291 20.236,292 20.236,293 20.236,294 20.236,295 20.236,296 17.481,297 28.105,298 7.883,299 21.282,300 4.771,301 2.952,302 1.522,303 0.803,304 0.651,305 0.651,306 4.375,312 1,313 1447,314 5.244,317 147.74,318 342.73,325 2.58,326 42.987,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 83.25,338 694,339 4.249,340 3.835,341 6.164,342 3.881,343 2.928,344 3.842,345 2.472,346 9.079,347 2.791,348 3.941,349 3.572,350 5.929,351 3.69,352 2.727,353 3.457,354 1.907,355 8.28,356 2.634,357 3.94,358 3.542,359 5.617,360 3.655,361 2.708,362 3.131,363 1.064,364 7.788,365 2.547,366 3.659,367 3.018,368 5.333,369 3.479,370 2.482,371 2.822,372 0.916,373 6.954,374 2.472,375 3.586,376 2.884,377 5.031,378 3.336,379 2.332,380 2.772,381 0.386,382 6.075,383 2.325,384 3.517,385 2.564,386 4.987,387 3.044,388 2.149,389 2.631,390 0.172,391 5.85,392 1.97,393 3.175,394 2.245,395 4.948,396 3.028,397 2.073,398 2.24,399 0.149,400 5.827,401 1.825,402 2.856,403 2.199,404 4.297,405 2.811,406 1.834,407 1.928,409 4.134,410 1.773,411 2.826,412 1.976,413 3.855,414 2.48,415 1.54,416 1.863,418 3.403,419 1.432,420 2.712,421 1.809,422 3.714,423 2.42,424 1.426,425 1.71,427 3.05,428 1.408,429 2.509,430 1.582,431 3.597,432 2.17,433 1.193,434 1.5,436 2.882,437 1.161,438 2.5,439 1.553,440 3.424,441 2.102,442 1.181,443 1.45,445 2.467,446 1.063,447 2.25,448 1.472,449 3.414,450 2,451 1,452 1.223,454 2.275,455 1,456 2.186,457 1.094,458 3.266,459 1.984,460 1,461 1.12,463 2.136,464 0.983,465 2.154,466 1.077,467 3.247,468 1.94,469 0.994,470 1,472 2.076,473 0.87,474 19.7,475 0.505,476 0.732,477 0.019,478 38,479 0.974,480 14.5,481 0.372,482 23.5,483 0.603,484 48.968,485 1.256,486 44.5,487 0.549,488 27.429,489 0.703,490 6.511,491 0.167,492 12.429,493 0.319,494 0.144,496 0.223,501 0.699,502 1.353,503 0.597,504 1.029,505 0.527,506 1.063,507 0.718,508 1.193,509 0.672,510 1.001,511 0.504,512 1.081,513 0.915,514 1.069,515 0.77,516 0.958,517 0.856,518 1.007,519 1.25,520 1.007,521 0.447,522 0.797,523 1.247,524 0.908,525 1.139,526 0.869,527 0.527,528 0.765,529 1.17,530 0.837,531 0.965,532 0.95,533 0.612,534 0.917,535 1.016,536 0.939,537 1.25,538 1.002,539 0.727,540 0.908,541 1.311,542 0.956,543 1.315,544 1.02,545 1.002,546 1.026,547 1.536,548 1,549 7,550 0.222,551 3.333,552 1.66,553 1.583,554 0.882,555 0.766,556 0.574,557 0.344,558 0.285,559 28040,560 69893,561 2.009,562 51.9,563 10,564 17,565 1,567 2,568 2,569 10,572 1.792,573 1.902,574 4.068,575 0.136,582 127.089,583 1.569,584 3.388,585 4.818,586 5.537,587 5.689,588 5.689,589 3.513,590 4.907,591 5.253,592 4.288,593 3177.45,594 9.257,595 60585.8,600 513.528,601 1.279,602 5.226,603 0.171,604 0.005,605 0.064,606 0.033,607 0.034,608 0.018,609 0.015,610 0.012,611 0.008,612 0.007,613 0.366,614 0.17,615 0.75,616 1.464,617 225.951,618 -0.017,619 -0.093,620 0.017,621 -0.004,622 0.004,623 0.005,624 0.117,625 -0.045,626 0.01,627 -0.026,628 0.1,629 -0.072,630 0.034,631 -0.063,632 0.063,633 -0.023,635 -0.032,636 -0.094,637 -0.057,638 0.027,639 0.014,640 -0.074,641 0.014,642 0.123,643 0.097,644 0.083,645 0.078,646 0.107,647 0.084,648 0.18,649 0.053,650 0.024,651 -0.008,652 0.14,653 0.015,654 -0.001,655 -0.038,656 0.013,657 0.008,658 0.038,660 -0.031,661 -0.038,662 0.017,663 -0.047,664 -0.09,665 -0.036,666 2.191,667 5.744,668 0.436,669 60.742,670 0.995,671 1.128,672 3.96,673 15.681,674 0.655,675 3.738,676 3.97,677 4.127,678 4.277,679 4.407,680 4.369,681 4.407,682 4.489,683 4.5,684 4.477,685 10.31,686 0.601,687 620.72,688 3.738,689 5.231,690 6.023,691 6.845,692 7.655,693 8.481,694 9.3,695 10.129,696 10.953,697 11.785,698 3.7,701 1,705 2,715 7,719 1,720 3,722 11,729 1,740 1,741 81,743 14,744 1,745 41,746 1,747 83,748 30,749 10,750 1,751 5,752 1,756 3,757 3,763 1,767 2,768 1,770 10,772 13,773 17,774 1,777 3,782 3,786 3,793 42,794 7,795 2,796 9,797 2,802 3,808 1,809 4,828 1,829 2,843 1,846 1,855 1,859 3,862 1,863 1,864 1,868 39,876 14,877 2,878 1,880 2,881 1,888 1,892 1,893 4.9,896 3,898 1,901 20.5,902 14.176,903 8.972,904 5.44,907 1.35,908 1.181,909 0.934,910 14.701,911 8.827,912 3.922,913 4.327,914 4.679,915 5.038,916 5.281,917 5.189,918 5.179,919 5.399,920 5.492,921 5.468,922 0.917,923 50,924 14.629,926 6.056,927 0.026,929 7.699,931 28.449,933 23.08,936 2.199,937 85.75,941 470.844,942 164.635,943 85.1,945 86.435,947 31.278,948 179.312,949 557.279,950 39.146,951 8.825,952 71.847,953 64.507,954 92.035,955 20.365,956 13.13,957 490.351,958 45.954,959 470.844,960 172.503,961 86.435,962 31.278,963 45.954,964 353.133,965 204.146,968 83.797,969 88.706,971 77.232,972 470.844,973 125.58,974 210.589,977 470.844,978 91.303,979 76.456,980 81.976,981 86.435,982 470.844,983 125.58,984 210.589,986 0.558,987 0.306,988 0.154,989 0.083,990 18,991 9,992 0.205,993 17,995 1,996 5.136,997 333.312,999 17,1000 198.131,1001 1,1005 31.924,1006 17.96,1007 12.21,1009 125.58,1010 14.093,1014 1.294,1015 2.664,1017 36.022,1018 807.014,1019 49.5,1024 37.986,1028 -0.923,1031 80.592,1032 91.398,1034 0.247,1035 0.534,1036 0.76,1037 0.873,1038 0.897,1039 0.897,1040 5.128,1041 1.834,1042 5.953,1043 5.827,1044 4.654,1045 5.014,1046 3.062,1047 6.635,1048 4.562,1049 6.244,1050 1.54,1051 7.432,1052 4.134,1053 4.007,1054 4.559,1055 2.619,1056 7.261,1057 3.861,1058 7.484,1059 1.426,1060 9.007,1061 3.403,1062 6.125,1063 6.921,1064 4.249,1065 10.298,1066 5.955,1067 8.751,1068 1.193,1069 10.639,1070 3.05,1071 6.312,1072 7.317,1073 4.559,1074 11.765,1075 6.091,1076 10.052,1077 1.181,1078 12.309,1079 2.882,1080 7.843,1081 9.133,1082 5.764,1083 14.273,1084 7.597,1085 11.374,1086 1,1087 14.006,1088 2.467,1089 8.432,1090 9.933,1091 6.389,1092 16.101,1093 8.133,1094 12.714,1095 1,1096 15.721,1097 2.275,1098 9.701,1099 11.518,1100 7.424,1101 18.411,1102 9.374,1103 2.928,1104 0.994,1105 17.451,1106 2.136,1107 10.502,1108 12.533,1109 8.191,1110 20.411,1111 10.12,1112 2.727,1113 9.079,1114 19.191,1115 2.076,1116 11.646,1117 14.004,1118 9.154,1119 22.641,1120 11.232,1121 2.708,1122 8.28,1123 20.94,1124 3.842,1125 12.559,1126 15.144,1127 9.989,1128 24.728,1129 12.09,1130 2.482,1131 7.788,1132 22.697,1133 3.457,1134 13.645,1135 16.555,1136 10.919,1137 26.926,1138 13.139,1139 2.332,1140 6.954,1141 24.46,1142 3.131,1143 14.619,1144 17.769,1145 11.788,1146 29.058,1147 14.058,1148 2.149,1149 6.075,1150 26.228,1151 2.822,1152 15.679,1153 19.148,1154 12.704,1155 31.245,1156 15.077,1157 2.073,1158 5.85,1159 28,1160 2.772,1161 16.686,1162 20.407,1163 13.59,1164 33.401,1165 16.03,1166 27322,1167 43557,1168 27.216,1169 53.063,1170 59.153,1171 61.003,1172 60.085,1173 58.648,1174 58.469,1175 69.469,1176 14.134,1177 151.928,1178 55.526,1179 5.249,1180 5.835,1181 6.117,1182 4.983,1183 4.928,1184 6.842,1185 4.213,1186 15.518,1187 4.791,1188 19.72,1189 1.443,1190 1.488,1191 1.465,1192 1.43,1193 1.426,1194 1.694,1195 0.345,1196 3.706,1197 1.354,1198 3.978,1199 4.025,1200 6.881,1201 3.95,1202 7.437,1203 3.883,1204 3.9,1205 3.916,1206 4.176,1207 3.871,1208 7.427,1209 3.844,1210 3.833,1211 3.876,1212 3.874,1213 3.732,1214 7.425,1215 3.722,1216 3.776,1217 3.815,1218 3.742,1219 3.635,1220 4.758,1221 3.63,1222 3.716,1223 3.769,1224 3.688,1225 3.574,1226 4.635,1227 3.565,1228 3.565,1229 3.62,1230 3.564,1231 3.334,1232 4.455,1233 3.354,1234 3.432,1235 3.508,1236 3.471,1237 3.251,1238 4.337,1239 3.236,1240 3.337,1241 3.395,1242 3.256,1243 3.136,1244 4.154,1245 3.146,1246 0.104,1247 0.094,1248 0.15,1249 0.095,1250 0.071,1251 4.249,1252 0.094,1253 3.835,1254 0.06,1255 6.164,1256 0.221,1257 3.881,1258 0.068,1259 2.928,1260 3.842,1261 2.472,1262 9.079,1263 2.791,1264 1.934,1265 1.896,1266 2.101,1267 2.069,1268 1.481,1269 2.083,1270 1.841,1271 1.792,1272 2.02,1273 1.972,1274 1.347,1275 1.983,1276 1.766,1277 1.717,1278 2.015,1279 1.948,1280 1.232,1281 1.968,1282 1.725,1283 1.672,1284 1.918,1285 1.906,1286 1.162,1287 1.921,1288 1.544,1289 1.521,1290 1.772,1291 1.771,1292 1.013,1293 1.76,1294 1.478,1295 1.427,1296 1.73,1297 1.675,1298 0.995,1299 1.702,1300 1.437,1301 1.385,1302 1.576,1303 1.609,1304 0.825,1305 1.622,1306 1.373,1307 1.352,1308 1.513,1309 1.491,1310 0.74,1311 1.504,1312 4.419,1314 5.673,1315 2.398,1316 7.094,1317 4.595,1318 8.59,1319 6.555,1320 10.128,1321 3.353,1322 2.126,1328 11.689,1329 5.783,1330 5.436,1332 -0.249,1333 2.497,1340 48.672,1341 127.089,1342 274.392,1343 390.244,1344 448.508,1345 460.773,1346 460.773,1347 123.13,1348 7.477,1349 87.74,1350 115.98,1351 17,1352 12.358,1353 3.907,1354 3.248,1355 84.077,1356 238,1357 252,1358 0.161,1359 312.354,1360 553.51,1361 753.904,1362 20989,1363 1.2,1364 27.874,1365 0.715,1366 0.65,1367 29.227,1368 25.365,1369 18.94,1370 0.462,1371 0.387,1372 14.168,1373 17.377,1374 13.735,1375 11.415,1376 19.971,1377 15.86,1378 16.071,1379 0.309,1380 0.233,1381 17.439,1382 12.093,1383 12.48,1384 0.205,1385 0.144,1386 13.948,1387 8.804,1388 9.426,1389 0.133,1390 0.086,1391 10.762,1392 6.096,1393 7.209,1394 0.089,1395 0.051,1396 8.351,1397 4.101,1398 0.265,1399 130.667,1400 0.192,1401 36.505,1402 0.408,1403 186,1404 528.768,1405 290.305,1406 558.659,1407 725.39,1408 520,1409 206,1410 458.272,1411 279.991,1412 487.48,1413 703.53,1414 458,1415 6.745}
{0 CHEMBL108163,1 1.764,2 14.182,3 4.935,4 24.355,5 132.029,6 8.131,7 0.486,8 4.163,9 4.277,10 3.825,11 3.669,12 5.369,13 3.644,14 4.666,15 4.826,16 4.127,17 4.036,18 5.97,19 3.99,20 4.863,21 5.044,22 4.18,23 4.13,24 5.973,25 4.064,26 5.011,27 5.246,28 4.206,29 4.143,30 6.162,31 4.061,32 4.917,33 5.102,34 4.18,35 4.1,36 6.133,37 4.048,38 4.948,39 5.142,40 4.237,41 4.106,42 6.436,43 4.03,44 4.855,45 5.052,46 4.13,47 4.022,48 6.065,49 3.938,50 4.81,51 5.033,52 3.934,53 3.929,54 5.962,55 3.837,56 0.272,57 0.879,58 11.28,59 5.188,60 9.979,61 6.399,62 0.503,63 1.342,64 25.026,65 8.95,66 75.585,67 10.859,68 0.565,69 1.556,70 29.998,71 10.41,72 38.919,73 13.148,74 0.804,75 1.643,76 38.233,77 12.178,78 81.569,79 16.135,80 0.919,81 1.494,82 32.251,83 10.62,84 85.848,85 12.756,86 1.138,87 1.554,88 36.485,89 11.07,90 173.944,91 14.144,92 0.703,93 1.415,94 33.767,95 10.376,96 91.707,97 12.44,98 0.653,99 1.323,100 36.795,101 10.377,102 79.16,103 12.664,104 47,105 47,106 0.286,107 0.563,108 0.734,109 0.808,110 0.832,111 0.843,112 3.531,113 0.97,114 -4.17,115 -4.11,116 -3.89,121 37.9,126 2,127 4,144 9,146 5,154 2,168 4,176 5,179 2,180 4,185 4,187 4,191 1,192 8,195 2,197 5,200 4,205 1,206 5,209 4,210 1,211 1,214 3,218 4,219 2,222 2,227 5,231 4,232 8,235 5,237 3,239 4,244 9,249 4,251 1,256 10,261 1,264 1,268 1,269 9,272 1,277 4,281 2291,282 21.844,283 21.844,284 21.844,285 21.844,286 21.844,287 19.167,288 33.355,289 13.246,290 22.392,291 17.323,292 17.323,293 17.323,294 17.323,295 17.323,296 13.314,297 53.77,298 6.349,299 18.156,300 4.094,301 2.379,302 1.324,303 0.867,304 0.716,305 0.647,306 4.211,312 1,313 978,314 4.416,317 111.928,318 250.441,325 1.956,326 42.713,329 1,330 0.5,331 0.83,332 0.8,333 0.5,334 0.67,335 0.5,336 0.69,337 73.5,338 468,339 4.549,340 4.25,341 6.594,342 4.108,343 3.138,344 4.317,345 3.272,346 10.489,347 3.039,348 4.154,349 3.847,350 6.204,351 3.75,352 2.763,353 3.756,354 2.612,355 9.008,356 2.728,357 4.124,358 3.76,359 5.675,360 3.674,361 2.714,362 3.735,363 2.612,364 7.971,365 2.602,366 3.895,367 2.999,368 5.404,369 3.442,370 2.469,371 3.445,372 0.916,373 7.064,374 2.402,375 3.597,376 2.916,377 5.043,378 3.178,379 2.244,380 3.022,381 0.4,382 6.084,383 2.097,384 3.371,385 2.704,386 5.029,387 3.033,388 2.07,389 2.508,390 0.4,391 5.784,392 1.991,393 3.242,394 2.61,395 4.627,396 2.743,397 1.817,398 2.457,399 0.172,400 4.503,401 1.69,402 2.92,403 2.269,404 4.338,405 2.675,406 1.724,407 2.03,409 4.339,410 1.625,411 2.883,412 2.207,413 3.817,414 2.429,415 1.488,416 1.954,418 3.237,419 1.4,420 2.759,421 1.739,422 3.69,423 2.333,424 1.371,425 1.811,427 3.012,428 1.292,429 2.602,430 1.657,431 3.592,432 2.115,433 1.124,434 1.604,436 2.787,437 1.11,438 2.5,439 1.45,440 3.287,441 2,442 1,443 1.5,445 2.136,446 1,447 2.215,448 1.158,449 3.247,450 1.778,451 0.833,452 1.094,454 1.891,455 0.776,456 1.918,457 1,458 3.17,459 1.587,460 0.67,461 0.828,463 1.573,464 0.606,465 1.534,466 1,467 2.951,468 1.162,469 0.207,470 0.265,472 0.545,473 0.197,474 15.5,475 0.47,476 0.843,477 0.026,478 44.25,479 1.341,480 23,481 0.697,482 21.25,483 0.644,484 27.089,485 0.821,486 36.7,487 0.633,488 36.347,489 1.101,490 8.611,491 0.261,492 7.219,493 0.219,494 0.151,496 0.303,501 0.479,502 1.237,503 0.718,504 0.982,505 0.491,506 0.96,507 0.701,508 1.192,509 1.08,510 1.163,511 0.362,512 0.979,513 0.852,514 1.243,515 1.036,516 1.218,517 0.559,518 1.16,519 0.737,520 0.951,521 0.826,522 0.93,523 0.751,524 0.883,525 1.268,526 0.886,527 1.019,528 0.883,529 1.246,530 0.951,531 0.757,532 1.062,533 1.068,534 1.11,535 0.749,536 1.045,537 1.238,538 1.145,539 1.13,540 1.148,541 1.377,542 1.069,543 1.137,544 1.04,545 1.357,546 1.222,547 1.139,548 0.972,549 7,550 0.156,551 2.667,552 2.257,553 1.761,554 1.539,555 0.625,556 0.503,557 0.316,558 0.25,559 16002,560 50459,561 1.994,562 43.1,564 23,567 2,572 1.752,573 1.85,574 3.725,575 0.282,582 102.34,583 1.764,584 3.479,585 4.534,586 4.991,587 5.142,588 5.211,589 3.184,590 4.741,591 5.012,592 3.96,593 2090.69,594 8.776,595 33077.2,600 339.763,601 1.462,602 4.964,603 0.2,604 0.005,605 0.057,606 0.049,607 0.037,608 0.033,609 0.014,610 0.013,611 0.009,612 0.008,613 0.426,614 0.33,615 0.63,616 1.067,617 178.495,618 0.204,620 0.069,621 0.048,622 0.01,623 -0.002,624 0.074,625 -0.043,626 -0.054,627 -0.045,628 0.252,629 0.016,630 -0.038,631 -0.165,632 -0.091,633 -0.192,634 -0.003,635 -0.176,636 0.119,637 0.018,638 0.171,639 0.047,640 0.077,641 0.122,642 -0.101,643 0.113,644 -0.062,645 0.079,646 -0.151,647 -0.007,648 0.295,649 -0.047,650 0.022,651 -0.059,652 0.388,653 -0.068,654 -0.178,655 -0.141,656 -0.01,657 -0.068,658 -0.163,659 -0.081,660 -0.148,661 -0.048,662 -0.098,663 -0.071,664 -0.071,665 0.049,666 2.633,667 4.52,668 0.515,669 40.23,670 1.018,671 1.131,672 2.94,673 8.642,674 0.665,675 3.584,676 3.871,677 4.06,678 4.304,679 4.466,680 4.554,681 4.564,682 4.564,683 4.543,684 4.585,685 8.314,686 0.64,687 471.59,688 3.584,689 5.106,690 5.922,691 6.781,692 7.621,693 8.489,694 9.339,695 10.211,696 11.068,697 11.942,698 8.6,701 1,703 1,706 1,709 2,715 9,718 1,720 7,722 17,734 2,735 2,741 58,743 21,744 2,745 35,747 60,748 22,749 16,750 5,751 7,756 3,757 3,772 16,773 6,777 4,779 2,782 4,792 1,793 25,794 8,795 2,796 11,797 1,802 5,808 1,809 5,828 1,829 2,855 1,859 3,860 1,862 1,864 2,868 33,876 4,877 2,879 1,881 1,893 8.6,898 1,899 4,901 17.833,902 10.85,903 7.361,904 3.143,907 2.849,908 1.384,909 0.948,910 8.998,911 10.265,912 3.882,913 4.457,914 4.926,915 5.475,916 5.902,917 6.185,918 6.387,919 6.614,920 6.764,921 7.069,922 1,923 46,924 12.219,926 5.145,927 0.026,929 8.045,931 22.637,933 17.775,936 2.545,937 84,941 270.735,942 164.991,943 50.486,945 111.001,947 32.22,948 132.771,949 381.737,950 50.486,951 28.133,952 6.011,953 85.286,954 18.011,955 44.426,956 10.898,957 302.955,958 101.494,959 270.735,960 183.257,961 111.001,962 32.22,964 270.735,965 9.507,966 101.494,968 27.146,969 126.76,970 29.351,971 32.22,972 270.735,973 161.487,974 164.991,977 270.735,978 62.912,979 116.543,980 36.022,981 111.001,982 270.735,983 161.487,984 164.991,986 0.572,987 0.311,988 0.171,989 0.094,990 19,991 10,992 0.2,993 12,995 1,996 4.42,997 282.344,999 17,1000 156.465,1001 1,1005 24.893,1006 11.929,1007 7.385,1009 150.147,1010 15.213,1013 5.773,1015 2.095,1017 36.022,1018 597.213,1019 47.5,1021 -1.254,1024 46.041,1031 59.058,1032 65.611,1034 0.301,1035 0.594,1036 0.774,1037 0.852,1038 0.878,1039 0.89,1040 5.095,1041 1.724,1042 5.894,1043 4.503,1044 4.554,1045 5.145,1046 3.849,1047 6.655,1048 4.474,1049 6.296,1050 1.488,1051 7.422,1052 4.339,1053 4.111,1054 5.007,1055 3.025,1056 7.473,1057 4.01,1058 7.595,1059 1.371,1060 9.051,1061 3.237,1062 6.094,1063 7.318,1064 5.877,1065 10.548,1066 5.95,1067 8.929,1068 1.124,1069 10.739,1070 3.012,1071 6.447,1072 7.993,1073 5.197,1074 12.211,1075 6.286,1076 10.295,1077 1,1078 12.467,1079 2.787,1080 7.912,1081 9.789,1082 8.078,1083 14.799,1084 7.714,1085 11.683,1086 0.833,1087 14.223,1088 2.136,1089 8.646,1090 10.836,1091 7.249,1092 16.828,1093 8.427,1094 13.089,1095 0.67,1096 16,1097 1.891,1098 9.896,1099 12.425,1100 10.347,1101 19.244,1102 9.646,1103 3.138,1104 0.207,1105 17.794,1106 1.573,1107 10.82,1108 13.655,1109 9.241,1110 21.439,1111 10.545,1112 2.763,1113 10.489,1114 19.601,1115 0.545,1116 11.981,1117 15.155,1118 12.655,1119 23.795,1120 11.676,1121 2.714,1122 9.008,1123 21.418,1124 4.317,1125 13.002,1126 16.481,1127 11.202,1128 26.064,1129 12.667,1130 2.469,1131 7.971,1132 23.244,1133 3.756,1134 14.129,1135 17.942,1136 14.987,1137 28.402,1138 13.765,1139 2.244,1140 7.064,1141 25.078,1142 3.735,1143 15.199,1144 19.321,1145 13.145,1146 30.708,1147 14.804,1148 2.07,1149 6.084,1150 26.917,1151 3.445,1152 16.316,1153 20.768,1154 17.333,1155 33.043,1156 15.891,1157 1.817,1158 5.784,1159 28.762,1160 3.022,1161 17.412,1162 22.176,1163 15.079,1164 35.367,1165 16.955,1166 15734,1167 28261,1168 22.77,1169 38.563,1170 51.812,1171 56.363,1172 52.765,1173 51.3,1174 51.269,1175 68.654,1176 20.772,1177 140.843,1178 49.111,1179 5.472,1180 6.25,1181 6.396,1182 5.221,1183 5.138,1184 7.317,1185 6.545,1186 17.331,1187 5.039,1188 19.359,1189 1.48,1190 1.61,1191 1.508,1192 1.466,1193 1.465,1194 1.962,1195 0.593,1196 4.024,1197 1.403,1198 4.074,1199 4.103,1200 4.059,1201 3.927,1202 7.819,1203 3.944,1204 3.942,1205 3.955,1206 3.97,1207 3.804,1208 7.811,1209 3.812,1210 3.868,1211 3.902,1212 3.804,1213 3.783,1214 6.999,1215 3.783,1216 3.656,1217 3.685,1218 3.718,1219 3.463,1220 6.999,1221 3.403,1222 3.567,1223 3.64,1224 3.647,1225 3.287,1226 5.035,1227 3.301,1228 3.511,1229 3.577,1230 3.38,1231 3.149,1232 4.812,1233 3.239,1234 3.33,1235 3.363,1236 3.336,1237 2.996,1238 4.622,1239 3.044,1240 3.081,1241 3.153,1242 3.058,1243 2.891,1244 4.272,1245 2.887,1246 0.13,1247 0.121,1248 0.188,1249 0.117,1250 0.09,1251 4.549,1252 0.123,1253 4.25,1254 0.093,1255 6.594,1256 0.3,1257 4.108,1258 0.087,1259 3.138,1260 4.317,1261 3.272,1262 10.489,1263 3.039,1264 1.965,1265 1.938,1266 2.043,1267 2.152,1268 1.177,1269 2.103,1270 1.853,1271 1.824,1272 1.96,1273 1.967,1274 1.088,1275 1.97,1276 1.648,1277 1.592,1278 1.868,1279 1.882,1280 1.033,1281 1.881,1282 1.6,1283 1.57,1284 1.742,1285 1.841,1286 1.021,1287 1.786,1288 1.441,1289 1.383,1290 1.662,1291 1.747,1292 0.852,1293 1.68,1294 1.299,1295 1.259,1296 1.526,1297 1.644,1298 0.657,1299 1.627,1300 1.264,1301 1.215,1302 1.417,1303 1.53,1304 0.469,1305 1.534,1306 1.105,1307 1.065,1308 1.32,1309 1.481,1310 0.364,1311 1.419,1312 4.263,1314 5.557,1315 2.398,1316 7.022,1317 4.595,1318 8.575,1319 6.555,1320 10.183,1322 3.946,1328 2.52,1329 6.016,1331 1.623,1333 2.025,1340 37.136,1341 102.34,1342 201.792,1343 262.969,1344 289.498,1345 298.253,1346 302.253,1347 89.913,1348 7.416,1349 132.08,1350 157.38,1351 17,1352 12.486,1353 4.459,1354 3.755,1355 64.404,1356 159,1357 183,1358 0.187,1359 235.431,1360 410.44,1361 566.213,1362 17702,1364 23.794,1365 0.721,1366 0.58,1367 24.148,1368 19.132,1369 15.829,1370 0.452,1371 0.323,1372 10.069,1373 14.472,1374 9.685,1375 8.092,1376 16.329,1377 11.315,1378 14.36,1379 0.306,1380 0.183,1381 14.858,1382 8.582,1383 10.576,1384 0.186,1385 0.097,1386 11.132,1387 5.537,1388 8.862,1389 0.121,1390 0.053,1391 9.37,1392 3.872,1393 6.677,1394 0.078,1395 0.03,1396 7.192,1397 2.598,1398 0.302,1399 106.234,1400 0.21,1401 31.285,1402 0.49,1403 164,1404 591.139,1405 204.692,1406 580.66,1407 758.83,1408 534,1409 186,1410 537.726,1411 223.929,1412 541.137,1413 772.16,1414 501,1415 6.194}
{0 CHEMBL1081810,1 1.22,2 10.708,3 3.809,4 14.507,5 98.813,6 7.101,7 0.852,8 3.867,9 3.987,10 3.424,11 3.507,12 4.909,13 3.46,14 4.365,15 4.53,16 3.725,17 3.894,18 5.327,19 3.822,20 4.624,21 4.83,22 3.718,23 4.034,24 5.495,25 3.908,26 4.683,27 4.947,28 3.546,29 3.952,30 5.449,31 3.792,32 4.53,33 4.775,34 3.518,35 3.869,36 5.347,37 3.727,38 4.469,39 4.707,40 3.482,41 3.823,42 5.301,43 3.684,44 4.401,45 4.638,46 3.385,47 3.744,48 5.229,49 3.6,50 4.316,51 4.579,52 3.243,53 3.615,54 5.11,55 3.468,56 0.043,57 0.576,58 9.065,59 3.924,60 8.369,61 5.43,62 0.115,63 0.976,64 15.905,65 6.277,66 13.611,67 8.758,68 0.116,69 1.218,70 21.437,71 9.122,72 19.055,73 12.821,74 0.145,75 1.285,76 24.267,77 10.046,78 21.445,79 14.29,80 0.103,81 1.087,82 20.313,83 8.756,84 18.708,85 12.401,86 0.097,87 1.024,88 18.96,89 8.167,90 17.642,91 11.553,92 0.091,93 0.959,94 17.687,95 7.591,96 16.071,97 10.736,98 0.134,99 0.898,100 16.786,101 6.866,102 15.586,103 9.754,105 36,106 0.208,107 0.423,108 0.578,109 0.69,110 0.69,111 0.69,112 3.228,113 0.94,114 -4.86,115 -4.77,116 -4.48,121 50,127 2,144 12,145 4,147 4,176 15,187 16,189 6,200 12,203 6,214 10,216 4,227 12,229 4,239 12,241 4,251 12,253 2,264 12,267 1,277 8,281 838,282 16.809,283 16.809,284 16.809,285 16.809,286 16.809,287 14.067,288 16.763,289 10.314,290 17.023,291 13.421,292 13.421,293 13.421,294 13.421,295 13.421,296 9.462,297 27.115,298 5.022,299 13.775,300 4.24,301 2.978,302 2.069,303 1.409,304 1.409,305 1.409,306 3.936,310 1,311 1,312 1,313 569,314 2.236,318 272.389,322 101.189,325 1.792,326 5.266,328 1,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 49,338 257,339 4.448,340 3.074,341 6.224,342 3.978,343 2.982,344 4.377,345 0.522,346 9.404,347 2.972,348 3.985,349 2.877,350 5.574,351 3.597,352 2.644,353 3.513,354 0.522,355 7.689,356 2.528,357 3.918,358 2.666,359 5.508,360 3.477,361 2.537,362 3.464,364 7.434,365 2.387,366 3.629,367 2.277,368 5.031,369 3.164,370 2.189,371 3.107,373 6.09,374 2.126,375 3.421,376 2.119,377 4.97,378 2.991,379 2,380 2.791,382 5.828,383 1.98,384 3.065,385 1.584,386 4.396,387 2.574,388 1.575,389 2.339,391 4.297,392 1.573,393 2.877,394 1.475,395 3.6,396 2.408,397 1.429,398 2.039,400 3.052,401 1.395,402 2.853,403 1.439,404 3.587,405 2.376,406 1.398,407 2.008,409 3.022,410 1.363,411 2.5,412 1,413 3.3,414 1.984,415 1,416 1.5,418 2.136,419 0.983,420 2.5,421 1,422 3.247,423 1.984,424 1,425 1.5,427 2.136,428 0.983,429 2.266,430 0.85,431 3.247,432 1.793,433 0.796,434 1.159,436 1.878,437 0.794,438 1.421,439 0.304,440 2.879,441 1.081,442 0.103,443 0.131,445 0.266,446 0.1,447 1.314,448 0.18,449 2.863,450 0.974,456 0.9,457 -0.43,458 2.308,459 0.465,460 -0.519,461 -0.712,463 -1.215,464 -0.51,465 0.895,466 -0.481,467 2.265,468 0.439,469 -0.55,470 -0.775,472 -1.447,473 -0.544,474 11.8,475 0.492,476 0.393,477 0.016,478 35,479 1.458,480 20,481 0.833,482 15,483 0.625,484 14.937,485 0.622,486 23.6,487 0.536,488 22.916,489 0.955,490 7.175,491 0.299,492 4.691,493 0.195,496 0.237,501 0.985,502 1.2,503 0.817,504 0.966,505 0.878,506 0.898,507 1.725,508 1.026,509 1.058,510 0.93,511 1.045,512 0.95,513 1.074,514 1.168,515 1.13,516 1.157,517 1.119,518 1.149,519 1.041,520 0.932,521 0.994,522 0.957,523 0.935,524 0.97,525 0.756,526 0.965,527 0.93,528 0.976,529 0.912,530 0.965,531 0.79,532 0.99,533 0.95,534 0.995,535 0.931,536 0.984,537 0.847,538 1.061,539 1.017,540 1.066,541 0.977,542 1.055,543 1.052,544 0.714,545 0.948,546 0.822,547 0.933,548 0.868,549 4,550 0.041,551 1.333,552 1,553 0.969,554 0.361,555 0.4,556 0.243,557 0.122,558 0.082,559 7253,560 14634,561 2.213,562 45.5,564 16,566 4,572 1.666,573 2.182,574 3.424,575 -0.905,577 1,582 53.669,583 1.22,584 2.482,585 3.391,586 4.05,587 4.05,588 4.05,589 2.887,590 3.168,591 4.554,592 3.545,593 978.369,594 7.846,595 11667.6,597 1,599 1,600 240.215,601 0.811,602 4.56,603 0.148,604 0.003,605 0.037,606 0.029,607 0.035,608 0.013,609 0.015,610 0.01,611 0.006,612 0.005,613 0.301,614 0.5,615 1,617 115.167,618 0.122,619 -0.162,620 0.076,621 -0.042,622 0.033,623 0.004,624 -0.248,625 0.055,626 -0.121,627 -0.018,628 -0.144,629 -0.053,630 -0.098,631 -0.181,632 -0.184,633 -0.197,634 -0.193,635 -0.196,636 -0.054,637 0.038,638 0.002,639 0.028,640 0.014,641 0.02,642 0.041,643 -0.016,644 0.044,645 0.017,646 0.046,647 0.028,648 0.027,649 -0.035,650 0.02,651 -0.007,652 0.029,653 0.003,655 -0.103,656 -0.049,657 -0.083,658 -0.019,659 -0.071,660 0.031,661 0.276,662 0.051,663 0.159,664 0.052,665 0.116,666 0.603,667 0.3,668 0.917,669 22.903,670 0.981,671 1.108,672 3.63,673 13.178,674 0.701,675 3.332,676 3.611,677 3.85,678 4.111,679 4.369,680 4.357,681 4.511,682 4.71,683 4.796,684 4.836,685 6.269,686 0.654,687 312.44,688 3.332,689 4.844,690 5.673,691 6.526,692 7.37,693 8.229,694 9.079,695 9.943,696 10.797,697 11.664,698 4.5,708 2,714 2,715 16,720 2,721 2,722 23,741 44,743 23,744 2,745 27,747 47,748 22,749 20,750 4,751 6,756 4,757 5,772 20,773 2,790 1,793 20,796 2,802 2,803 2,808 0.75,822 2,829 4,833 1,859 3,868 24,876 2,901 11,902 7.833,903 5.278,904 2.674,907 4.129,908 1.56,909 1.044,910 4.24,911 11.508,912 3.676,913 4.297,914 4.885,915 5.493,916 6.105,917 6.301,918 6.759,919 7.298,920 7.725,921 7.994,922 1,923 34,924 8.833,926 3.674,927 0.026,929 7.403,931 17.459,933 14.401,936 1.903,937 45.667,940 1,941 235.422,942 165.633,943 3.798,948 165.633,949 235.422,950 3.798,952 4.211,953 113.715,954 50.883,955 47.707,957 188.338,959 235.422,960 169.431,964 235.422,968 40.401,969 125.232,970 3.798,972 235.422,973 3.798,974 165.633,977 235.422,978 15.728,979 153.703,982 235.422,983 3.798,984 165.633,986 0.567,987 0.32,988 0.177,989 0.101,990 18,991 6,992 0.085,993 4,994 1,995 1.091,996 3.837,997 192.827,998 0.091,999 22,1000 76.039,1005 14.888,1006 6.835,1007 3.646,1008 2.594,1010 34.235,1015 2.645,1016 4.398,1018 404.853,1019 38.5,1031 43.156,1032 48.733,1034 0.223,1035 0.455,1036 0.621,1037 0.742,1038 0.742,1039 0.742,1040 4.858,1041 1.398,1042 5.609,1043 3.052,1044 4.29,1045 4.984,1046 0.736,1047 6.337,1048 4.242,1049 6.051,1050 1,1051 7.101,1052 3.022,1053 3.611,1054 4.559,1056 6.986,1057 3.519,1058 7.331,1059 1,1060 8.686,1061 2.136,1062 5.796,1063 7.195,1064 0.259,1065 10.079,1066 5.698,1067 8.646,1068 0.796,1069 10.329,1070 2.136,1071 5.943,1072 7.617,1074 11.565,1075 5.811,1076 9.991,1077 0.103,1078 12.008,1079 1.878,1080 7.548,1081 9.669,1082 0.077,1083 14.125,1084 7.41,1085 11.357,1087 13.713,1088 0.266,1089 8.12,1090 10.548,1092 15.989,1093 7.965,1094 12.742,1095 -0.519,1096 15.437,1098 9.445,1099 12.31,1100 0.022,1101 18.344,1102 9.283,1103 2.982,1104 -0.55,1105 17.175,1106 -1.215,1107 10.249,1108 13.455,1110 20.394,1111 10.083,1112 2.644,1113 9.404,1114 18.924,1115 -1.447,1116 11.436,1117 15.066,1118 0.006,1119 22.668,1120 11.265,1121 2.537,1122 7.689,1123 20.683,1124 4.377,1125 12.366,1126 16.363,1128 24.81,1129 12.198,1130 2.189,1131 7.434,1132 22.449,1133 3.513,1134 13.487,1135 17.898,1136 0.002,1137 27.055,1138 13.317,1139 2,1140 6.09,1141 24.222,1142 3.464,1143 14.486,1144 19.279,1146 29.243,1147 14.322,1148 1.575,1149 5.828,1150 26.002,1151 3.107,1152 15.578,1153 20.779,1155 31.478,1156 15.415,1157 1.429,1158 4.297,1159 27.786,1160 2.791,1161 16.614,1162 22.204,1164 33.69,1165 16.457,1166 6717,1167 9614,1168 19.068,1169 30.864,1170 39.552,1171 39.611,1172 39.521,1173 39.348,1174 39.305,1175 55.853,1176 2.086,1177 106.463,1178 38.367,1179 5.209,1180 5.074,1181 6.026,1182 5.013,1183 4.982,1184 7.377,1185 1.043,1186 15.816,1187 4.972,1189 1.465,1190 1.467,1191 1.464,1192 1.457,1193 1.456,1194 2.069,1195 0.077,1196 3.943,1197 1.421,1198 4.122,1199 4.15,1200 4.072,1201 4.072,1202 4.919,1203 4.068,1204 3.934,1205 3.987,1206 3.864,1207 3.8,1208 4.794,1209 3.809,1210 3.892,1211 3.937,1212 3.825,1213 3.776,1214 4.762,1215 3.782,1216 3.525,1217 3.563,1218 3.435,1219 3.461,1220 4.295,1221 3.45,1222 3.199,1223 3.263,1224 3.074,1225 3.078,1226 3.909,1227 3.069,1228 2.988,1229 3.064,1230 2.865,1231 2.878,1232 3.766,1233 2.868,1234 2.984,1235 3.046,1236 2.84,1237 2.798,1238 3.742,1239 2.798,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.165,1247 0.114,1248 0.231,1249 0.147,1250 0.11,1251 4.448,1252 0.162,1253 3.074,1254 0.019,1255 6.224,1256 0.348,1257 3.978,1258 0.11,1259 2.982,1260 4.377,1261 0.522,1262 9.404,1263 2.972,1264 2.096,1265 2.075,1266 2.18,1267 2.165,1268 1.351,1269 2.171,1270 1.898,1271 1.851,1272 2.029,1273 2.059,1274 1.145,1275 2.054,1276 1.858,1277 1.814,1278 1.987,1279 1.995,1280 1.054,1281 1.997,1282 1.542,1283 1.507,1284 1.708,1285 1.64,1286 0.843,1287 1.666,1288 1.204,1289 1.147,1290 1.445,1291 1.376,1292 0.644,1293 1.404,1294 1.002,1295 0.947,1296 1.26,1297 1.193,1298 0.372,1299 1.22,1300 0.972,1301 0.893,1302 1.241,1303 1.155,1304 0.327,1305 1.187,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 4.007,1314 5.293,1316 6.783,1318 8.361,1320 9.983,1328 1.795,1340 28.784,1341 53.669,1342 109.195,1343 149.195,1344 178.215,1345 178.215,1346 178.215,1347 23.284,1348 7.379,1349 7.76,1350 7.76,1351 24,1352 12.212,1353 4.585,1354 3.644,1355 33.956,1356 89,1357 84,1358 0.183,1359 176.543,1360 291.72,1361 422.525,1362 16477,1364 16.192,1365 0.675,1366 0.569,1367 16.192,1368 13.652,1369 11.865,1370 0.439,1371 0.313,1372 8.399,1373 11.659,1374 8.209,1375 6.855,1376 11.865,1377 8.462,1378 10.358,1379 0.288,1380 0.176,1381 10.358,1382 6.341,1383 8.613,1384 0.187,1385 0.097,1386 8.613,1387 4.471,1388 7.305,1389 0.122,1390 0.054,1391 7.305,1392 3.229,1393 6.194,1394 0.079,1395 0.03,1396 6.194,1397 2.325,1398 0.29,1399 72.417,1400 0.229,1401 23.731,1402 0.495,1403 126,1404 252.666,1405 130.163,1406 261.622,1407 374,1408 248,1409 145,1410 286.507,1411 150.329,1412 298.532,1413 429.3,1414 282,1415 6.854}
{0 CHEMBL1082081,1 1.401,2 17.737,3 5.429,4 29.473,5 150.355,6 6.113,7 0.154,8 4.498,9 4.638,10 3.864,11 3.95,12 5.446,13 3.894,14 5.109,15 5.323,16 4.182,17 4.336,18 6.055,19 4.237,20 5.428,21 5.68,22 4.175,23 4.503,24 6.268,25 4.36,26 5.513,27 5.8,28 4.182,29 4.471,30 6.37,31 4.323,32 5.426,33 5.686,34 4.197,35 4.392,36 6.499,37 4.28,38 5.352,39 5.609,40 4.199,41 4.42,42 6.338,43 4.296,44 5.407,45 5.656,46 4.214,47 4.44,48 6.443,49 4.313,50 5.436,51 5.694,52 4.068,53 4.398,54 6.388,55 4.263,56 0.068,57 1.168,58 21.481,59 8.52,60 11.313,61 12.168,62 0.633,63 1.817,64 39.514,65 13.597,66 59.367,67 20.18,68 0.708,69 2.212,70 53.492,71 17.341,72 71.196,73 26.028,74 0.657,75 2.222,76 57.504,77 17.377,78 84.669,79 26.882,80 1.322,81 2.049,82 54.906,83 14.97,84 157.873,85 23.156,86 0.846,87 2.022,88 49.819,89 16.031,90 106.89,91 23.925,92 0.868,93 2.06,94 52.824,95 16.756,96 120.86,97 24.871,98 0.947,99 2.011,100 54.644,101 15.919,102 116.514,103 23.897,104 76,105 50,106 0.214,107 0.462,108 0.698,109 0.811,110 0.832,111 0.832,112 3.667,113 1.104,114 -4.18,115 -4.13,116 -3.9,121 34.5,122 4,123 9,124 1,127 5,129 1,132 1,144 5,145 1,160 2,161 1,176 14,179 2,180 8,183 3,185 3,187 15,192 7,195 2,197 3,200 5,206 13,211 5,214 4,218 4,219 6,222 1,223 1,224 1,227 8,231 2,232 4,235 3,237 1,239 15,243 2,244 9,247 2,249 2,251 13,255 1,256 7,261 4,264 5,269 11,274 9,277 6,281 3520,282 24.99,283 24.99,284 24.99,285 24.99,286 24.99,287 23.8,288 28.861,289 15.566,290 25.428,291 19.28,292 19.28,293 19.28,294 19.28,295 19.28,296 17.395,297 33.855,298 7.482,299 19.918,300 5.042,301 3.416,302 1.867,303 1.13,304 0.989,305 0.989,306 4.336,312 1,313 1368,314 5.788,318 337.033,325 2.593,326 43.565,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 82.5,338 674,339 4.168,340 3.86,341 6.448,342 4.072,343 3.135,344 3.457,345 2.473,346 10.16,347 2.928,348 3.957,349 3.71,350 6.043,351 3.774,352 2.8,353 3.243,354 2.185,355 8.664,356 2.713,357 3.941,358 3.572,359 5.617,360 3.69,361 2.727,362 3.086,363 1.907,364 7.788,365 2.634,366 3.659,367 3.169,368 5.333,369 3.479,370 2.482,371 2.817,372 0.916,373 6.954,374 2.474,375 3.585,376 3.018,377 5.031,378 3.339,379 2.334,380 2.631,381 0.477,382 6.076,383 2.332,384 3.432,385 2.564,386 4.948,387 3.065,388 2.097,389 2.55,390 0.273,391 5.85,392 1.997,393 3.175,394 2.244,395 4.893,396 3.028,397 2.073,398 2.24,399 0.172,400 5.64,401 1.97,402 2.835,403 2.194,404 4.154,405 2.802,406 1.816,407 1.928,408 0.149,409 3.898,410 1.789,411 2.825,412 1.975,413 3.736,414 2.447,415 1.489,416 1.833,418 3.297,419 1.426,420 2.604,421 1.582,422 3.597,423 2.416,424 1.424,425 1.569,427 3.047,428 1.395,429 2.5,430 1.553,431 3.439,432 2.17,433 1.191,434 1.5,436 2.511,437 1.161,438 2.25,439 1.472,440 3.414,441 2.042,442 1.046,443 1.223,445 2.275,446 1.032,447 2.179,448 1.097,449 3.247,450 2,451 1,452 1.124,454 2.136,455 1,456 2,457 1.077,458 3.172,459 1.984,460 1,461 1,463 2.098,464 0.983,465 1.605,466 1,467 3.11,468 1.498,469 0.528,470 0.546,472 1.12,473 0.507,474 17.867,475 0.47,476 0.928,477 0.024,478 33.5,479 0.882,480 10.5,481 0.276,482 23,483 0.605,484 48.822,485 1.285,486 46.333,487 0.533,488 26.949,489 0.709,490 5.873,491 0.155,492 12.285,493 0.323,494 0.168,495 0.028,496 0.19,501 0.749,502 1.588,503 1.006,504 1.428,505 0.578,506 1.273,507 0.679,508 1.247,509 1.001,510 1.2,511 0.454,512 1.149,513 1.145,514 1.122,515 1.134,516 1.111,517 0.907,518 1.12,519 1.098,520 1.038,521 0.915,522 0.961,523 1.122,524 0.916,525 1.452,526 0.843,527 1.109,528 0.818,529 1.622,530 0.892,531 0.949,532 0.973,533 0.96,534 0.997,535 0.993,536 0.979,537 1.121,538 1.1,539 1.024,540 1.103,541 1.215,542 1.061,543 1.76,544 0.919,545 1.218,546 0.905,547 1.902,548 0.978,549 8.5,550 0.264,551 2.889,552 1.938,553 1.333,554 0.938,555 0.955,556 0.483,557 0.436,558 0.271,559 24967,560 53689,561 1.932,562 56.3,563 10,564 16,567 2,568 2,569 19,572 1.786,573 1.802,574 4.045,575 0.123,582 121.844,583 1.401,584 3.027,585 4.576,586 5.313,587 5.454,588 5.454,589 3.505,590 4.669,591 5.216,592 4.281,593 3009.83,594 9.18,595 56621.4,600 560.536,601 1.476,602 5.166,603 0.218,604 0.007,605 0.058,606 0.041,607 0.028,608 0.02,609 0.019,610 0.01,611 0.011,612 0.006,613 0.419,614 0.33,615 0.75,616 2.863,617 218.894,618 -0.006,619 -0.176,620 0.036,621 -0.095,622 -0.016,623 -0.032,624 0.241,625 -0.049,626 0.024,627 -0.075,628 0.178,629 -0.06,630 -0.071,631 -0.071,632 -0.118,633 -0.085,634 -0.068,635 -0.107,636 -0.039,637 -0.089,638 0.079,639 -0.015,640 -0.019,641 0.041,642 0.065,643 0.149,644 -0.027,645 0.094,646 0.027,647 0.032,648 0.139,649 0.062,650 0.057,651 0.012,652 0.125,653 0.023,654 0.103,655 -0.094,656 0.006,657 -0.091,658 0.115,659 -0.062,660 -0.227,661 0.032,662 -0.148,663 0.038,664 -0.222,665 -0.036,666 2.357,667 5.624,668 0.316,669 59.258,670 0.992,671 1.139,672 2.955,673 8.729,674 0.607,675 3.689,676 3.932,677 3.989,678 4.143,679 4.248,680 4.234,681 4.304,682 4.29,683 4.331,684 4.29,685 10.25,686 0.56,687 531.82,688 3.689,689 5.187,690 5.953,691 6.781,692 7.563,693 8.395,694 9.185,695 10.02,696 10.816,697 11.651,698 3.4,701 1,705 2,715 5,720 1,722 6,741 87,743 9,744 1,745 39,747 88,748 30,749 6,750 1,751 5,756 2,757 2,763 4,767 2,768 1,770 10,772 9,773 21,774 2,777 3,782 3,786 3,793 49,794 8,795 2,796 8,802 3,808 1,809 5,829 2,843 1,846 1,855 1,856 1,859 2,864 4,868 38,876 14,877 2,878 2,880 2,881 1,882 1,893 5.7,896 3,898 2,901 21.083,902 16.117,903 8.653,904 5.828,907 0.959,908 1.132,909 0.891,910 14.946,911 8.215,912 3.829,913 4.182,914 4.366,915 4.669,916 4.945,917 4.778,918 4.912,919 4.991,920 5.079,921 5.117,922 0.917,923 47,924 14.273,926 5.81,927 0.026,929 7.726,931 27.695,933 22.065,936 2.226,937 84.583,941 553.242,942 140.352,943 39.146,945 97.435,948 140.352,949 650.676,950 39.146,951 35.301,952 71.847,953 47.381,954 87.331,955 28.31,956 6.763,957 553.242,959 553.242,960 179.498,961 97.435,964 329.591,965 321.085,968 110.273,969 69.225,972 553.242,973 136.58,974 140.352,977 553.242,978 57.67,979 85.806,980 36.022,981 97.435,982 553.242,983 136.58,984 140.352,986 0.561,987 0.283,988 0.144,989 0.075,990 16,991 9,992 0.205,993 18,995 1,996 4.959,997 312.202,999 12,1000 186.666,1005 32.265,1006 17.602,1007 14.705,1009 136.58,1010 10.546,1015 1.345,1017 36.022,1018 830.174,1019 45,1024 37.383,1028 -1.342,1031 86.265,1032 99.092,1034 0.217,1035 0.47,1036 0.71,1037 0.825,1038 0.847,1039 0.847,1040 5.053,1041 1.816,1042 5.922,1043 5.64,1044 4.615,1045 4.868,1046 3.32,1047 6.621,1048 4.55,1049 6.174,1050 1.489,1051 7.415,1052 3.898,1053 4.205,1054 4.527,1055 2.927,1056 7.535,1057 4.104,1058 7.423,1059 1.424,1060 9.013,1061 3.297,1062 6.151,1063 6.674,1064 4.598,1065 10.419,1066 6.005,1067 8.694,1068 1.191,1069 10.675,1070 3.047,1071 6.524,1072 7.05,1073 4.873,1074 12.142,1075 6.326,1076 9.996,1077 1.046,1078 12.378,1079 2.511,1080 7.967,1081 8.755,1082 6.109,1083 14.599,1084 7.727,1085 11.315,1086 1,1087 14.11,1088 2.275,1089 8.708,1090 9.441,1091 6.676,1092 16.648,1093 8.402,1094 12.65,1095 1,1096 15.862,1097 2.136,1098 9.946,1099 10.976,1100 7.727,1101 18.98,1102 9.596,1103 3.135,1104 0.528,1105 17.63,1106 2.098,1107 10.871,1108 11.818,1109 8.442,1110 21.169,1111 10.447,1112 2.8,1113 10.16,1114 19.411,1115 1.12,1116 12.025,1117 13.272,1118 9.406,1119 23.467,1120 11.549,1121 2.727,1122 8.664,1123 21.202,1124 3.457,1125 13.043,1126 14.205,1127 10.201,1128 25.718,1129 12.49,1130 2.482,1131 7.788,1132 23.001,1133 3.243,1134 14.165,1135 15.611,1136 11.126,1137 28.012,1138 13.553,1139 2.334,1140 6.954,1141 24.808,1142 3.086,1143 15.231,1144 16.607,1145 11.965,1146 30.292,1147 14.542,1148 2.097,1149 6.076,1150 26.621,1151 2.817,1152 16.345,1153 17.979,1154 12.871,1155 32.59,1156 15.59,1157 2.073,1158 5.85,1159 28.44,1160 2.631,1161 17.437,1162 19.022,1163 13.735,1164 34.884,1165 16.605,1166 25048,1167 36916,1168 25.019,1169 52.802,1170 55.922,1171 58.186,1172 56.372,1173 55.406,1174 55.37,1175 62.665,1176 17.106,1177 145.285,1178 53.732,1179 5.168,1180 5.86,1181 6.4,1182 5.148,1183 5.135,1184 6.457,1185 4.215,1186 16.452,1187 4.928,1188 23.065,1189 1.434,1190 1.492,1191 1.445,1192 1.421,1193 1.42,1194 1.607,1195 0.439,1196 3.725,1197 1.378,1198 3.973,1199 4.024,1200 3.879,1201 3.876,1202 7.439,1203 3.871,1204 3.853,1205 3.892,1206 3.765,1207 3.735,1208 7.429,1209 3.728,1210 3.815,1211 3.862,1212 3.704,1213 3.649,1214 7.427,1215 3.655,1216 3.731,1217 3.791,1218 3.592,1219 3.584,1220 4.758,1221 3.573,1222 3.702,1223 3.752,1224 3.564,1225 3.54,1226 4.574,1227 3.538,1228 3.569,1229 3.626,1230 3.462,1231 3.334,1232 4.449,1233 3.355,1234 3.434,1235 3.51,1236 3.257,1237 3.251,1238 4.337,1239 3.236,1240 3.348,1241 3.408,1242 3.214,1243 3.133,1244 4.155,1245 3.147,1246 0.107,1247 0.099,1248 0.165,1249 0.104,1250 0.08,1251 4.168,1252 0.089,1253 3.86,1254 0.063,1255 6.448,1256 0.261,1257 4.072,1258 0.075,1259 3.135,1260 3.457,1261 2.473,1262 10.16,1263 2.928,1264 1.934,1265 1.896,1266 2.101,1267 2.069,1268 1.481,1269 2.083,1270 1.841,1271 1.792,1272 2.02,1273 1.977,1274 1.347,1275 1.984,1276 1.765,1277 1.714,1278 2.015,1279 1.951,1280 1.231,1281 1.968,1282 1.727,1283 1.673,1284 1.95,1285 1.917,1286 1.162,1287 1.934,1288 1.682,1289 1.629,1290 1.911,1291 1.875,1292 1.118,1293 1.891,1294 1.498,1295 1.436,1296 1.772,1297 1.756,1298 1.013,1299 1.751,1300 1.441,1301 1.363,1302 1.728,1303 1.663,1304 0.995,1305 1.696,1306 1.285,1307 1.233,1308 1.513,1309 1.544,1310 0.825,1311 1.537,1312 4.369,1314 5.631,1316 7.05,1318 8.541,1320 10.07,1322 7.393,1328 11.527,1329 5.574,1330 10.669,1332 -0.317,1333 2.491,1334 -0.687,1340 48.755,1341 121.844,1342 263.33,1343 398.132,1344 462.232,1345 474.497,1346 474.497,1347 152.209,1348 7.256,1349 96.97,1350 96.97,1351 12,1352 12.229,1353 3.322,1354 2.807,1355 102.257,1356 232,1357 238,1358 0.202,1359 306.554,1360 553.05,1361 739.751,1362 15764,1364 27.805,1365 0.732,1366 0.63,1367 27.805,1368 23.929,1369 18.158,1370 0.466,1371 0.368,1372 14.178,1373 17.45,1374 13.713,1375 11.518,1376 18.158,1377 14.351,1378 16.286,1379 0.326,1380 0.226,1381 16.286,1382 11.309,1383 10.931,1384 0.206,1385 0.127,1386 10.931,1387 6.709,1388 8.634,1389 0.139,1390 0.073,1391 8.634,1392 4.555,1393 6.212,1394 0.09,1395 0.044,1396 6.212,1397 3.061,1398 0.335,1399 113.825,1400 0.2,1401 35.808,1402 0.513,1403 178,1404 506.989,1405 199.355,1406 473.098,1407 617.45,1408 440,1409 192,1410 425.411,1411 210.232,1412 424.593,1413 606.1,1414 396,1415 6.022}
{0 CHEMBL1082082,1 1.415,2 18.122,3 6.081,4 36.98,5 161.164,6 6.43,7 0.279,8 4.522,9 4.654,10 3.941,11 4.01,12 5.503,13 3.962,14 5.112,15 5.31,16 4.223,17 4.392,18 6.083,19 4.296,20 5.419,21 5.674,22 4.245,23 4.535,24 6.262,25 4.397,26 5.484,27 5.751,28 4.203,29 4.481,30 6.363,31 4.347,32 5.424,33 5.685,34 4.271,35 4.421,36 6.474,37 4.313,38 5.365,39 5.611,40 4.261,41 4.424,42 6.425,43 4.32,44 5.389,45 5.633,46 4.228,47 4.432,48 6.445,49 4.32,50 5.36,51 5.605,52 4.178,53 4.425,54 6.327,55 4.307,56 0.059,57 1.2,58 20.909,59 8.643,60 10.336,61 12.072,62 0.634,63 1.905,64 38.895,65 14.011,66 58.68,67 20.34,68 0.572,69 2.33,70 52.699,71 18.154,72 66.212,73 26.809,74 0.696,75 2.306,76 57.156,77 17.822,78 88.436,79 26.525,80 1.164,81 2.168,82 54.699,83 16.268,84 141.147,85 24.308,86 0.907,87 2.121,88 51.146,89 15.951,90 119.291,91 23.519,92 0.967,93 2.113,94 52.505,95 16.552,96 131.906,97 24.056,98 0.663,99 2.096,100 50.508,101 16.281,102 91.688,103 23.719,104 24,105 53,106 0.213,107 0.482,108 0.701,109 0.814,110 0.853,111 0.863,112 3.741,113 1.06,114 -4.52,115 -4.44,116 -4.18,121 37.5,122 1,123 9,124 1,127 6,129 1,144 10,145 2,160 2,161 1,176 20,179 2,180 6,183 3,185 3,187 18,192 9,195 2,197 3,200 8,206 13,211 3,214 4,218 4,219 9,222 1,223 1,224 3,227 8,231 2,232 6,235 3,237 3,239 13,243 2,244 6,247 2,249 3,251 13,255 1,256 11,261 4,264 9,269 13,274 7,277 7,281 4650,282 28.026,283 28.026,284 28.026,285 28.026,286 28.026,287 26.084,288 28.857,289 17.737,290 28.449,291 21.258,292 21.258,293 21.258,294 21.258,295 21.258,296 18.314,297 31.691,298 8.533,299 21.849,300 5.044,301 3.267,302 1.815,303 1.066,304 0.804,305 0.736,306 4.427,312 1,313 1548,314 5.385,318 550.776,325 2.765,326 44.354,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 88.5,338 743,339 3.996,340 3.845,341 6.05,342 3.793,343 2.823,344 3.457,345 2.473,346 8.69,347 2.725,348 3.941,349 3.611,350 5.617,351 3.69,352 2.727,353 3.448,354 2.202,355 7.788,356 2.634,357 3.898,358 3.572,359 5.36,360 3.522,361 2.539,362 3.154,363 1.907,364 7.014,365 2.497,366 3.661,367 3.018,368 5.333,369 3.479,370 2.482,371 2.821,372 0.916,373 6.954,374 2.473,375 3.587,376 2.761,377 5.031,378 3.34,379 2.335,380 2.728,381 0.817,382 6.079,383 2.333,384 3.551,385 2.564,386 4.969,387 3.157,388 2.198,389 2.631,390 0.424,391 5.859,392 2.072,393 3.175,394 2.245,395 4.948,396 3.028,397 2.073,398 2.24,399 0.172,400 5.841,401 1.97,402 2.918,403 2.197,404 4.169,405 2.808,406 1.826,407 2.081,408 0.149,409 3.941,410 1.793,411 2.836,412 1.975,413 3.738,414 2.5,415 1.531,416 1.928,417 0.087,418 3.321,419 1.484,420 2.825,421 1.744,422 3.623,423 2.439,424 1.459,425 1.835,427 3.112,428 1.425,429 2.612,430 1.582,431 3.597,432 2.415,433 1.424,434 1.579,436 3.047,437 1.394,438 2.5,439 1.553,440 3.437,441 2.17,442 1.191,443 1.5,445 2.516,446 1.161,447 2.5,448 1.472,449 3.414,450 2.046,451 1.054,452 1.5,454 2.275,455 1.037,456 2.25,457 1.258,458 3.247,459 2,460 1,461 1.223,463 2.136,464 1,465 2.181,466 1.092,467 3.247,468 2,469 1,470 1.13,472 2.136,473 1,474 19.367,475 0.472,476 0.643,477 0.016,478 41.5,479 1.012,480 16.5,481 0.402,482 25,483 0.61,484 46.432,485 1.132,486 47.833,487 0.544,488 34.159,489 0.833,490 7.868,491 0.192,492 12.161,493 0.297,494 0.077,496 0.201,501 0.741,502 1.452,503 0.942,504 1.302,505 0.548,506 1.167,507 0.723,508 1.213,509 1.067,510 1.181,511 0.504,512 1.169,513 0.887,514 1.099,515 1.006,516 1.089,517 0.823,518 1.065,519 1.316,520 1.029,521 1.038,522 0.983,523 1.267,524 0.971,525 1.192,526 0.898,527 0.941,528 0.849,529 1.16,530 0.854,531 1.18,532 0.968,533 1.004,534 0.961,535 1.24,536 0.952,537 1.343,538 0.964,539 1.054,540 0.949,541 1.495,542 0.962,543 1.372,544 1.026,545 1.09,546 1.011,547 1.552,548 1.01,549 6.5,550 0.252,551 2.889,552 1.375,553 1.484,554 0.861,555 0.752,556 0.523,557 0.317,558 0.261,559 32725,560 72468,561 2.023,562 53.4,563 10,564 23,567 2,568 2,569 10,572 1.806,573 1.937,574 4.11,575 0.088,582 124.535,583 1.415,584 3.193,585 4.644,586 5.394,587 5.655,588 5.724,589 3.508,590 5.016,591 5.324,592 4.346,593 3563.73,594 9.407,595 71628.1,600 568.43,601 1.141,602 5.31,603 0.151,604 0.005,605 0.055,606 0.026,607 0.031,608 0.017,609 0.014,610 0.01,611 0.007,612 0.005,613 0.322,614 0.17,615 0.75,616 1.373,617 241.659,618 -0.009,619 -0.135,620 0.042,621 -0.065,622 0.004,623 -0.013,624 0.2,625 -0.045,626 -0.068,627 -0.092,628 0.132,629 -0.116,630 0.011,631 -0.071,632 -0.026,633 -0.081,634 -0.016,635 -0.062,636 -0.107,637 -0.072,638 -0.019,639 -0.038,640 -0.092,641 -0.018,642 0.175,643 0.065,644 0.104,645 0.076,646 0.155,647 0.08,648 0.1,649 0.042,650 0.033,651 -0.001,652 0.11,653 0.007,654 0.037,655 0.012,656 -0.011,657 0.016,658 0.039,659 -0.003,660 -0.109,661 -0.031,662 -0.061,663 -0.033,664 -0.112,665 -0.039,666 2.374,667 5.732,668 0.439,669 69.636,670 0.993,671 1.133,672 3.285,673 10.791,674 0.625,675 3.784,676 3.989,677 4.127,678 4.263,679 4.431,680 4.344,681 4.407,682 4.466,683 4.5,684 4.511,685 10.804,686 0.582,687 565.83,688 3.784,689 5.263,690 6.043,691 6.849,692 7.644,693 8.456,694 9.258,695 10.072,696 10.88,697 11.695,698 3.4,701 1,705 2,715 10,720 2,722 12,741 88,743 15,744 2,745 43,747 90,748 33,749 12,750 2,751 10,756 3,757 3,763 1,767 2,768 1,770 10,772 15,773 18,774 1,777 3,782 3,786 3,793 47,794 8,795 2,796 8,802 3,808 1,809 5,829 3,843 1,846 1,855 1,856 1,859 3,864 1,868 41,876 15,877 2,878 2,880 2,881 1,893 5.7,896 3,898 2,901 21.167,902 15.283,903 9.528,904 5.856,907 1.472,908 1.195,909 0.922,910 15.515,911 9.023,912 3.97,913 4.344,914 4.649,915 4.978,916 5.368,917 5.096,918 5.215,919 5.377,920 5.505,921 5.507,922 0.917,923 52,924 15.368,926 6.299,927 0.026,929 7.707,931 29.806,933 23.853,936 2.207,937 90.5,941 529.7,942 169.036,943 39.146,945 97.435,948 169.036,949 627.134,950 39.146,951 8.825,952 76.44,953 94.762,954 87.331,955 31.495,956 6.763,957 529.7,959 529.7,960 208.182,961 97.435,964 411.989,965 215.146,968 88.389,969 119.792,972 529.7,973 136.58,974 169.036,977 529.7,978 65.448,979 106.712,980 36.022,981 97.435,982 529.7,983 136.58,984 169.036,986 0.55,987 0.298,988 0.151,989 0.084,990 17,991 8,992 0.211,993 19,995 1,996 5.372,997 350.661,999 18,1000 207.66,1005 32.783,1006 19.404,1007 13.656,1009 136.58,1010 19.87,1015 2.19,1017 36.022,1018 835.316,1019 52,1024 37.731,1028 -1.374,1031 87.381,1032 99.676,1034 0.219,1035 0.494,1036 0.719,1037 0.835,1038 0.876,1039 0.886,1040 5.159,1041 1.826,1042 5.948,1043 5.841,1044 4.673,1045 5.03,1046 3.362,1047 6.589,1048 4.62,1049 6.253,1050 1.531,1051 7.397,1052 3.941,1053 3.892,1054 4.407,1055 2.927,1056 7.111,1057 3.833,1058 7.471,1059 1.459,1060 8.94,1061 3.321,1062 6.103,1063 6.875,1064 4.622,1065 10.145,1066 5.994,1067 8.713,1068 1.424,1069 10.541,1070 3.112,1071 6.155,1072 7.025,1073 4.873,1074 11.519,1075 6.035,1076 9.986,1077 1.191,1078 12.179,1079 3.047,1080 7.763,1081 8.99,1082 6.131,1083 14.003,1084 7.601,1085 11.278,1086 1.054,1087 13.844,1088 2.516,1089 8.234,1090 9.498,1091 6.682,1092 15.752,1093 8.054,1094 12.585,1095 1,1096 15.528,1097 2.275,1098 9.551,1099 11.244,1100 7.749,1101 18.025,1102 9.336,1103 2.823,1104 1,1105 17.226,1106 2.136,1107 10.255,1108 11.949,1109 8.453,1110 19.961,1111 10.014,1112 2.727,1113 8.69,1114 18.935,1115 2.136,1116 11.421,1117 13.57,1118 9.428,1119 22.147,1120 11.148,1121 2.539,1122 7.788,1123 20.654,1124 3.457,1125 12.258,1126 14.404,1127 10.215,1128 24.18,1129 11.953,1130 2.482,1131 7.014,1132 22.38,1133 3.448,1134 13.345,1135 15.939,1136 11.146,1137 26.333,1138 13.009,1139 2.335,1140 6.954,1141 24.112,1142 3.154,1143 14.258,1144 16.865,1145 11.98,1146 28.417,1147 13.886,1148 2.198,1149 6.079,1150 25.851,1151 2.821,1152 15.305,1153 18.336,1154 12.89,1155 30.56,1156 14.901,1157 2.073,1158 5.859,1159 27.595,1160 2.728,1161 16.261,1162 19.332,1163 13.751,1164 32.673,1165 15.819,1166 31801,1167 47586,1168 28.89,1169 55.04,1170 60.977,1171 62.969,1172 61.699,1173 60.488,1174 60.515,1175 71.975,1176 18.296,1177 152.466,1178 58.962,1179 4.996,1180 5.845,1181 6.003,1182 4.874,1183 4.823,1184 6.457,1185 4.223,1186 14.753,1187 4.725,1188 18.072,1189 1.418,1190 1.464,1191 1.435,1192 1.407,1193 1.407,1194 1.674,1195 0.425,1196 3.546,1197 1.371,1198 3.98,1199 4.029,1200 3.888,1201 3.885,1202 7.439,1203 3.879,1204 3.908,1205 3.94,1206 3.833,1207 3.839,1208 7.429,1209 3.833,1210 3.842,1211 3.884,1212 3.745,1213 3.732,1214 7.427,1215 3.724,1216 3.801,1217 3.847,1218 3.696,1219 3.639,1220 4.783,1221 3.642,1222 3.723,1223 3.786,1224 3.565,1225 3.578,1226 4.75,1227 3.568,1228 3.584,1229 3.637,1230 3.494,1231 3.338,1232 4.465,1233 3.363,1234 3.451,1235 3.514,1236 3.34,1237 3.252,1238 4.369,1239 3.24,1240 3.399,1241 3.446,1242 3.242,1243 3.164,1244 4.337,1245 3.188,1246 0.093,1247 0.089,1248 0.141,1249 0.088,1250 0.066,1251 3.996,1252 0.08,1253 3.845,1254 0.058,1255 6.05,1256 0.202,1257 3.793,1258 0.063,1259 2.823,1260 3.457,1261 2.473,1262 8.69,1263 2.725,1264 1.934,1265 1.896,1266 2.101,1267 2.069,1268 1.481,1269 2.083,1270 1.904,1271 1.876,1272 2.033,1273 1.999,1274 1.347,1275 2.009,1276 1.841,1277 1.792,1278 2.02,1279 1.968,1280 1.23,1281 1.983,1282 1.764,1283 1.71,1284 2.015,1285 1.945,1286 1.162,1287 1.967,1288 1.716,1289 1.663,1290 1.916,1291 1.903,1292 1.132,1293 1.917,1294 1.501,1295 1.441,1296 1.772,1297 1.766,1298 1.013,1299 1.755,1300 1.442,1301 1.366,1302 1.729,1303 1.67,1304 0.995,1305 1.698,1306 1.314,1307 1.271,1308 1.519,1309 1.589,1310 0.825,1311 1.572,1312 4.466,1314 5.7,1316 7.107,1318 8.59,1320 10.113,1322 2.119,1328 11.528,1329 5.596,1330 10.692,1332 -0.344,1333 2.491,1340 51.228,1341 124.535,1342 280.957,1343 408.681,1344 474.656,1345 497.675,1346 503.675,1347 127.292,1348 7.551,1349 96.97,1350 96.97,1351 18,1352 12.282,1353 4,1354 3.322,1355 91.011,1356 258,1357 281,1358 0.157,1359 319.155,1360 573.77,1361 770.498,1362 23878,1364 29.125,1365 0.71,1366 0.598,1367 29.125,1368 24.523,1369 20.029,1370 0.466,1371 0.353,1372 15.021,1373 19.327,1374 14.706,1375 12.269,1376 20.029,1377 15.2,1378 16.602,1379 0.313,1380 0.205,1381 16.602,1382 10.869,1383 12.763,1384 0.209,1385 0.123,1386 12.763,1387 7.523,1388 9.619,1389 0.137,1390 0.072,1391 9.619,1392 5.013,1393 7.664,1394 0.092,1395 0.042,1396 7.664,1397 3.458,1398 0.259,1399 125.199,1400 0.186,1401 38.113,1402 0.397,1403 192,1404 552.989,1405 212.027,1406 519.509,1407 683.18,1408 486,1409 210,1410 467.593,1411 228.232,1412 468.885,1413 673.36,1414 440,1415 6.602}
{0 CHEMBL1082419,1 1.422,2 19.026,3 7.086,4 50.213,5 153.306,6 6.892,7 0.429,8 4.411,9 4.526,10 3.906,11 3.933,12 5.449,13 3.901,14 4.97,15 5.149,16 4.225,17 4.3,18 5.995,19 4.24,20 5.24,21 5.463,22 4.295,23 4.425,24 6.181,25 4.346,26 5.27,27 5.498,28 4.259,29 4.405,30 6.288,31 4.314,32 5.245,33 5.482,34 4.156,35 4.385,36 6.194,37 4.275,38 5.225,39 5.467,40 4.097,41 4.34,42 6.149,43 4.219,44 5.185,45 5.431,46 4.011,47 4.265,48 6.083,49 4.148,50 5.076,51 5.298,52 3.975,53 4.215,54 6.004,55 4.105,56 0.027,57 1.029,58 17.125,59 7.649,60 9.066,61 10.032,62 0.399,63 1.663,64 32.182,65 12.347,66 41.217,67 16.823,68 0.411,69 2.02,70 43.785,71 15.779,72 50.879,73 21.643,74 0.731,75 2.035,76 45.895,77 15.983,78 81.809,79 22.042,80 0.535,81 1.998,82 44.547,83 15.862,84 70.834,85 21.96,86 0.531,87 1.948,88 43.688,89 15.574,90 70.506,91 21.762,92 0.618,93 1.843,94 42.614,95 14.452,96 67.591,97 20.039,98 0.498,99 1.665,100 37.611,101 13.395,102 56.17,103 18.193,104 28,105 55,106 0.219,107 0.503,108 0.716,109 0.869,110 0.904,111 0.904,112 3.692,113 0.995,114 -4.91,115 -4.82,116 -4.52,121 41.6,122 2,123 5,127 5,144 11,145 3,146 4,159 1,161 1,176 14,179 1,180 14,183 2,185 1,187 15,192 10,197 1,200 9,205 3,206 13,211 3,214 12,218 1,219 6,224 3,227 11,231 1,232 10,237 2,239 9,243 1,244 9,247 1,251 7,255 1,256 6,264 11,268 1,269 4,274 2,277 13,281 3512,282 26.861,283 26.861,284 26.861,285 26.861,286 26.861,287 24.478,288 31.713,289 16.563,290 27.401,291 20.708,292 20.708,293 20.708,294 20.708,295 20.708,296 16.987,297 41.749,298 7.847,299 21.528,300 4.845,301 2.996,302 1.608,303 0.611,304 0.383,305 0.383,306 4.391,312 1,313 1589,314 4.796,318 481.834,322 366.682,325 3.105,326 37.377,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 84,338 742,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 2.186,346 11.061,347 3.18,348 4.107,349 3.665,350 6.011,351 3.733,352 2.772,353 3.688,354 0.916,355 8.529,356 2.668,357 4.048,358 3.021,359 5.705,360 3.613,361 2.643,362 3.676,363 0.86,364 8.07,365 2.563,366 3.693,367 2.992,368 5.408,369 3.428,370 2.502,371 2.965,372 0.86,373 7.109,374 2.303,375 3.617,376 2.82,377 5.389,378 3.235,379 2.274,380 2.899,381 0.366,382 6.912,383 2.173,384 3.438,385 2.671,386 5.125,387 3.183,388 2.225,389 2.554,390 0.172,391 6.045,392 2.112,393 3.308,394 2.492,395 5.008,396 2.947,397 2.01,398 2.503,400 5.993,401 1.862,402 3.129,403 2.202,404 4.66,405 2.84,406 1.869,407 2.245,409 5.043,410 1.812,411 2.904,412 1.875,413 4.125,414 2.73,415 1.736,416 2.081,418 3.494,419 1.715,420 2.797,421 1.716,422 3.773,423 2.441,424 1.462,425 1.811,427 3.384,428 1.428,429 2.715,430 1.582,431 3.72,432 2.361,433 1.393,434 1.799,436 3.103,437 1.34,438 2.663,439 1.461,440 3.602,441 2.243,442 1.256,443 1.731,445 2.976,446 1.236,447 2.499,448 1.37,449 3.496,450 2.231,451 1.247,452 1.485,454 2.624,455 1.224,456 2.384,457 1.298,458 3.476,459 2.163,460 1.167,461 1.26,463 2.282,464 1.16,465 2.278,466 1.28,467 3.237,468 1.884,469 0.86,470 1.258,472 2.046,473 0.874,474 18.467,475 0.474,476 0.691,477 0.018,478 46.75,479 1.199,480 22.5,481 0.577,482 24.25,483 0.622,484 37.771,485 0.968,486 43.333,487 0.563,488 37.642,489 0.965,490 8.953,491 0.23,492 10.115,493 0.259,494 0.09,496 0.265,501 0.77,502 1.328,503 0.853,504 1.199,505 0.585,506 1.06,507 0.836,508 1.102,509 0.935,510 1.075,511 0.535,512 1.019,513 1.137,514 0.992,515 0.91,516 0.956,517 0.801,518 0.902,519 1.111,520 0.975,521 0.964,522 0.952,523 1.067,524 0.936,525 1.141,526 0.989,527 1.016,528 0.97,529 1.29,530 0.974,531 1.021,532 1.063,533 1.005,534 1.033,535 0.917,536 1.019,537 1.287,538 0.899,539 1.082,540 0.924,541 1.07,542 0.962,543 1.328,544 1.043,545 1.131,546 1.035,547 1.14,548 1.055,549 6.5,550 0.215,551 2.889,552 2.5,553 1.933,554 0.868,555 0.706,556 0.405,557 0.324,558 0.194,559 29680,560 70029,561 2.067,562 49.4,563 9,564 21,567 1,569 5,570 2,572 1.787,573 1.966,574 4.163,575 -0.434,582 109.512,583 1.422,584 3.271,585 4.659,586 5.656,587 5.884,588 5.884,589 3.663,590 5.08,591 5.254,592 4.366,593 3235.26,594 9.227,595 61542.5,600 482.543,601 1.252,602 5.231,603 0.155,604 0.006,605 0.053,606 0.043,607 0.036,608 0.018,609 0.016,610 0.01,611 0.008,612 0.005,613 0.348,614 0.17,615 0.75,616 1.641,617 226.744,618 -0.005,619 -0.13,620 0.057,621 -0.07,622 -0.013,623 -0.008,624 0.123,625 0.012,626 0.03,627 -0.042,628 0.139,629 -0.021,630 -0.059,631 0.02,632 0.087,633 0.034,634 0.033,635 0.079,636 0.07,637 0.017,638 0.05,639 0.022,640 0.083,641 0.032,642 -0.072,644 -0.018,645 0.009,646 -0.092,647 0.004,648 -0.003,649 -0.085,650 -0.012,651 -0.055,652 -0.016,653 -0.038,654 -0.102,655 0.08,656 -0.062,657 0.027,658 -0.107,659 -0.005,660 -0.122,661 -0.059,662 -0.12,663 -0.051,664 -0.116,665 -0.083,666 2.075,667 5.731,668 0.513,669 59.291,670 0.997,671 1.124,672 3.679,673 13.538,674 0.649,675 3.761,676 4.025,677 4.263,678 4.511,679 4.736,680 4.812,681 4.92,682 5.043,683 5.1,684 5.043,685 10.688,686 0.612,687 530.72,688 3.761,689 5.273,690 6.098,691 6.952,692 7.798,693 8.664,694 9.522,695 10.396,696 11.262,697 12.143,698 2.6,701 1,705 1,715 11,720 7,722 18,727 1,737 1,739 2,741 77,743 20,744 3,745 42,747 80,748 32,749 18,750 7,751 11,752 1,756 4,757 7,763 2,770 5,772 20,773 12,777 2,782 2,786 2,793 38,794 7,795 1,796 7,802 2,808 0.5,809 5,829 4,833 2,855 1,859 2,864 2,868 39,876 10,877 1,878 3,881 1,893 6.5,896 2,898 3,901 19.833,902 14.2,903 8.944,904 5.238,907 3.536,908 1.423,909 0.956,910 10.958,911 11.904,912 3.989,913 4.494,914 5.006,915 5.547,916 6.065,917 6.28,918 6.613,919 6.969,920 7.246,921 7.414,922 0.923,923 58,924 14.502,926 6.01,927 0.026,929 7.679,931 28.028,933 22.495,936 2.179,937 85,941 435.531,942 190.003,943 21.135,945 83.29,948 190.003,949 518.82,950 21.135,951 17.65,952 43.699,953 104.239,954 55.423,955 66.654,956 6.763,957 435.531,959 435.531,960 211.138,961 83.29,964 353.133,965 165.687,968 64.473,969 146.665,972 435.531,973 104.425,974 190.003,977 435.531,978 68.114,979 125.013,980 18.011,981 83.29,982 435.531,983 104.425,984 190.003,986 0.558,987 0.32,988 0.174,989 0.095,990 22,991 10,992 0.188,993 15,994 2,995 1.2,996 5.139,997 349.575,998 0.2,999 20,1000 204.131,1005 28.817,1006 14.83,1007 8.399,1009 104.425,1010 20.32,1015 4.543,1017 18.011,1018 729.959,1019 53,1024 24.825,1028 -0.441,1031 76.745,1032 86.517,1034 0.227,1035 0.522,1036 0.743,1037 0.903,1038 0.939,1039 0.939,1040 5.201,1041 1.869,1042 6.043,1043 5.993,1044 4.71,1045 5.182,1046 2.639,1047 6.797,1048 4.637,1049 6.357,1050 1.736,1051 7.559,1052 5.043,1053 4.111,1054 4.832,1055 1.847,1056 7.579,1057 4.007,1058 7.631,1059 1.462,1060 9.177,1061 3.494,1062 6.236,1063 7.264,1064 3.582,1065 10.699,1066 6.097,1067 8.939,1068 1.393,1069 10.86,1070 3.384,1071 6.494,1072 7.758,1073 3.603,1074 12.36,1075 6.339,1076 10.284,1077 1.256,1078 12.586,1079 3.103,1080 8.039,1081 9.654,1082 4.922,1083 14.997,1084 7.857,1085 11.653,1086 1.247,1087 14.343,1088 2.976,1089 8.731,1090 10.564,1091 5.291,1092 17.053,1093 8.547,1094 13.044,1095 1.167,1096 16.125,1097 2.624,1098 10.027,1099 12.222,1100 6.39,1101 19.53,1102 9.824,1103 3.215,1104 0.86,1105 17.925,1106 2.282,1107 10.945,1108 13.353,1109 6.93,1110 21.77,1111 10.745,1112 2.772,1113 11.061,1114 19.741,1115 2.046,1116 12.138,1117 14.891,1118 7.902,1119 24.194,1120 11.927,1121 2.643,1122 8.529,1123 21.571,1124 4.198,1125 13.173,1126 16.145,1127 8.539,1128 26.519,1129 12.964,1130 2.502,1131 8.07,1132 23.412,1133 3.688,1134 14.328,1135 17.623,1136 9.436,1137 28.926,1138 14.112,1139 2.274,1140 7.109,1141 25.262,1142 3.676,1143 15.421,1144 18.947,1145 10.13,1146 31.292,1147 15.206,1148 2.225,1149 6.912,1150 27.122,1151 2.965,1152 16.567,1153 20.393,1154 10.981,1155 33.694,1156 16.347,1157 2.01,1158 6.045,1159 28.988,1160 2.899,1161 17.69,1162 21.758,1163 11.71,1164 36.079,1165 17.468,1166 28410,1167 43993,1168 28.315,1169 49.989,1170 60.312,1171 62.868,1172 62.409,1173 60.034,1174 59.978,1175 75.15,1176 10.723,1177 162.353,1178 57.872,1179 5.493,1180 5.692,1181 6.727,1182 5.302,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.18,1188 18.089,1189 1.436,1190 1.497,1191 1.486,1192 1.429,1193 1.428,1194 1.789,1195 0.255,1196 3.866,1197 1.378,1198 4.051,1199 4.06,1200 4.015,1201 3.966,1202 7.435,1203 3.976,1204 3.943,1205 3.972,1206 3.881,1207 3.858,1208 7.427,1209 3.859,1210 3.782,1211 3.828,1212 3.716,1213 3.711,1214 4.947,1215 3.708,1216 3.759,1217 3.808,1218 3.607,1219 3.622,1220 4.813,1221 3.605,1222 3.685,1223 3.745,1224 3.556,1225 3.514,1226 4.708,1227 3.514,1228 3.531,1229 3.6,1230 3.404,1231 3.314,1232 4.384,1233 3.316,1234 3.436,1235 3.507,1236 3.279,1237 3.251,1238 4.302,1239 3.241,1240 3.281,1241 3.331,1242 3.123,1243 3.057,1244 4.234,1245 3.069,1246 0.108,1247 0.088,1248 0.161,1249 0.1,1250 0.077,1251 4.553,1252 0.1,1253 3.692,1254 0.052,1255 6.774,1256 0.263,1257 4.203,1258 0.076,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.059,1267 2.084,1268 1.353,1269 2.074,1270 1.912,1271 1.886,1272 2.037,1273 2.029,1274 1.277,1275 2.032,1276 1.775,1277 1.752,1278 2.023,1279 1.941,1280 1.165,1281 1.97,1282 1.764,1283 1.698,1284 1.918,1285 1.893,1286 1.112,1287 1.902,1288 1.664,1289 1.598,1290 1.871,1291 1.834,1292 1.035,1293 1.848,1294 1.499,1295 1.423,1296 1.795,1297 1.74,1298 0.982,1299 1.757,1300 1.44,1301 1.365,1302 1.756,1303 1.656,1304 0.953,1305 1.692,1306 1.198,1307 1.15,1308 1.48,1309 1.493,1310 0.646,1311 1.486,1312 4.443,1314 5.72,1316 7.195,1318 8.773,1320 10.413,1322 4.293,1328 8.932,1329 2.823,1330 17.384,1333 2.321,1340 47.099,1341 109.512,1342 251.859,1343 358.74,1344 435.523,1345 453.033,1346 453.033,1347 85.611,1348 8.368,1349 81.01,1350 81.01,1351 24,1352 12.682,1353 4.392,1354 3.585,1355 71.05,1356 252,1357 295,1358 0.131,1359 289.52,1360 516.93,1361 698.189,1362 67642,1364 27.451,1365 0.704,1366 0.587,1367 27.451,1368 22.91,1369 19.067,1370 0.454,1371 0.332,1372 13.755,1373 18.376,1374 13.436,1375 11.228,1376 19.067,1377 13.924,1378 16.143,1379 0.294,1380 0.176,1381 16.143,1382 9.68,1383 13.22,1384 0.189,1385 0.096,1386 13.22,1387 6.699,1388 10.977,1389 0.122,1390 0.051,1391 10.977,1392 4.549,1393 8.754,1394 0.077,1395 0.027,1396 8.754,1397 3.034,1398 0.219,1399 119.166,1400 0.188,1401 36.572,1402 0.328,1403 194,1404 570.656,1405 214.41,1406 538.305,1407 734.49,1408 506,1409 222,1410 539.076,1411 241.611,1412 538.112,1413 789.2,1414 508,1415 6.796}
{0 CHEMBL1082427,1 1.579,2 10.963,3 2.602,4 6.77,5 101.821,6 7.349,7 0.552,8 4.005,9 4.129,10 3.563,11 3.468,12 5.14,13 3.466,14 4.53,15 4.73,16 3.939,17 3.836,18 5.651,19 3.826,20 4.684,21 4.842,22 4.025,23 4.01,24 5.844,25 3.987,26 4.885,27 5.082,28 3.966,29 4.078,30 6.002,31 4.018,32 4.856,33 5.088,34 3.899,35 4.084,36 5.879,37 3.988,38 4.831,39 5.066,40 3.755,41 4.02,42 5.834,43 3.896,44 4.737,45 5.004,46 3.532,47 3.851,48 5.63,49 3.7,50 4.557,51 4.821,52 3.405,53 3.611,54 5.552,55 3.49,56 0.027,57 0.747,58 10.369,59 4.132,60 6.329,61 5.685,62 0.509,63 1.149,64 20.329,65 6.264,66 28.919,67 9.128,68 0.241,69 1.322,70 22.532,71 8.018,72 29.87,73 10.824,74 0.623,75 1.477,76 30.074,77 9.442,78 67.513,79 12.851,80 0.306,81 1.466,82 28.722,83 10.23,84 40.9,85 14.709,86 0.399,87 1.381,88 28.334,89 10.188,90 43.418,91 14.585,92 0.302,93 1.186,94 26.708,95 9.618,96 34.998,97 14.028,98 0.364,99 0.944,100 22.951,101 7.686,102 43.373,103 10.993,104 59,105 42,106 0.265,107 0.571,108 0.701,109 0.814,110 0.814,111 0.814,112 3.34,113 0.894,114 -3.44,115 -3.42,116 -3.27,121 40,122 1,126 4,144 7,145 1,146 1,148 1,153 1,155 1,160 1,161 1,163 1,176 6,179 5,180 7,182 1,187 5,189 2,192 5,200 2,203 3,205 1,206 10,208 1,214 2,216 3,219 8,227 5,232 5,234 2,239 7,241 1,243 1,244 3,251 5,256 3,258 2,264 2,268 3,269 4,277 2,281 1126,282 17.552,283 17.552,284 17.552,285 17.552,286 17.552,287 15.401,288 18.009,289 9.998,290 18.029,291 14.215,292 14.215,293 14.215,294 14.215,295 14.215,296 10.852,297 19.867,298 4.669,299 14.979,300 4.065,301 2.245,302 1.469,303 0.795,304 0.795,305 0.795,306 4.014,310 1,311 1,312 1,313 615,314 4.062,317 58.937,318 164.036,321 116.1,325 1.819,326 22.521,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 59,338 296,339 4.725,340 3.762,341 6.941,342 4.24,343 3.307,344 4.682,345 2.208,346 11.673,347 3.091,348 4.196,349 3.705,350 6.434,351 3.846,352 2.892,353 3.773,354 1.94,355 9.763,356 2.758,357 4.002,358 3.288,359 5.91,360 3.663,361 2.735,362 3.396,363 0.655,364 8.073,365 2.529,366 3.827,367 2.812,368 5.808,369 3.476,370 2.511,371 3.093,372 0.555,373 7.792,374 2.404,375 3.571,376 2.635,377 5.311,378 3.181,379 2.224,380 2.846,381 0.13,382 6.428,383 2.122,384 3.354,385 2.291,386 5.184,387 2.914,388 1.947,389 2.617,391 5.814,392 1.873,393 3.02,394 1.978,395 4.569,396 2.514,397 1.538,398 2.268,400 4.198,401 1.498,402 2.767,403 1.696,404 4.314,405 2.294,406 1.343,407 1.867,409 3.701,410 1.269,411 2.5,412 1.548,413 3.62,414 2.044,415 1.086,416 1.5,418 2.542,419 1.028,420 2.437,421 1.24,422 3.5,423 2,424 1,425 1.385,427 2.317,428 1,429 2.307,430 1,431 3.414,432 1.95,433 0.975,434 1.198,436 2.275,437 0.937,438 1.881,439 0.897,440 3.193,441 1.527,442 0.555,443 0.685,445 1.304,446 0.535,447 1.334,448 0.685,449 2.707,450 0.929,451 -0.033,452 -0.043,454 -0.082,455 -0.032,456 0.958,457 0.296,458 2.396,459 0.563,460 -0.389,461 -0.49,463 -0.991,464 -0.367,465 0.724,466 -0.071,467 2.3,468 0.267,469 -0.683,470 -0.908,472 -1.648,473 -0.646,474 12.6,475 0.467,476 0.881,477 0.033,478 35.5,479 1.315,480 17,481 0.63,482 18.5,483 0.685,484 21.165,485 0.784,486 29.7,487 0.594,488 29.276,489 1.084,490 7.441,491 0.276,492 5.349,493 0.198,494 0.251,496 0.405,501 0.767,502 1.716,503 0.775,504 1.302,505 0.576,506 1.076,507 0.718,508 0.787,509 0.706,510 0.643,511 0.469,512 0.643,513 1.218,514 1.317,515 1.031,516 1.165,517 0.975,518 1.074,519 1.539,520 0.976,521 1.246,522 0.933,523 1.42,524 1.025,525 0.771,526 1.054,527 0.961,528 1.052,529 0.773,530 1.035,531 0.737,532 1.041,533 1.08,534 1.148,535 0.859,536 1.171,537 0.582,538 1.002,539 0.922,540 1.114,541 0.533,542 1.089,543 0.9,544 0.862,545 0.881,546 0.945,547 0.94,548 0.928,549 6,550 0.177,551 4,552 2.326,553 1.846,554 1.254,555 0.732,556 0.405,557 0.283,558 0.225,559 8170,560 22949,561 1.971,562 46,564 19,565 1,568 3,572 1.7,573 1.78,574 3.418,575 -0.733,576 1,577 1,582 78.957,583 1.579,584 3.399,585 4.175,586 4.848,587 4.848,588 4.848,589 2.921,590 4.06,591 4.721,592 3.599,593 1263.29,594 8.194,595 16117.2,597 1,599 1,600 282.193,601 1.561,602 4.646,603 0.207,604 0.01,605 0.095,606 0.052,607 0.045,608 0.032,609 0.023,610 0.016,611 0.013,612 0.011,613 0.504,614 0.5,615 1,616 1.413,617 133.875,618 -0.017,619 -0.479,620 0.075,621 -0.225,622 -0.066,623 -0.09,624 0.259,625 0.372,626 0.249,627 0.308,628 0.157,629 0.288,630 -0.172,631 -0.185,632 -0.109,633 -0.139,634 -0.053,635 -0.114,636 -0.273,637 0.063,638 -0.257,639 0.037,640 -0.215,641 -0.09,642 -0.056,643 -0.036,644 -0.029,645 -0.037,646 0.002,647 -0.025,648 0.011,649 -0.048,650 -0.142,651 -0.133,652 -0.056,653 -0.16,654 0.083,655 -0.091,656 0.034,657 -0.099,658 0.035,659 -0.05,660 0.057,661 0.013,662 0.124,663 0.041,664 0.019,665 0.082,666 2.083,667 4.784,668 0.556,669 27.056,670 1.006,671 1.131,672 2.206,673 4.868,674 0.652,675 3.401,676 3.761,677 4.043,678 4.277,679 4.522,680 4.644,681 4.82,682 4.934,683 4.942,684 4.99,685 6.532,686 0.625,687 367.47,688 3.401,689 4.963,690 5.826,691 6.718,692 7.606,693 8.506,694 9.405,695 10.31,696 11.216,697 12.125,698 8,705 2,706 1,708 1,714 1,715 8,720 4,721 1,722 16,737 1,741 50,743 18,744 1,745 29,747 52,748 20,749 13,750 2,751 4,756 3,757 4,763 1,772 15,773 5,777 2,782 2,786 2,789 1,790 1,793 23,794 5,796 7,799 1,802 4,803 1,808 0.667,809 3,822 1,828 1,829 2,832 1,844 1,859 2,864 5,868 27,878 1,881 2,893 6,896 2,898 1,901 15.167,902 10.767,903 5.889,904 2.799,907 3.358,908 1.453,909 0.961,910 5.418,911 10.769,912 3.689,913 4.327,914 4.943,915 5.565,916 6.151,917 6.565,918 7.06,919 7.512,920 7.796,921 8.15,922 1,923 45,924 9.935,926 4.099,927 0.026,929 7.84,931 18.733,933 14.729,936 2.34,937 63.167,940 1,941 270.735,942 144.488,943 9.434,945 61.29,948 144.488,949 332.025,950 9.434,951 42.411,952 6.249,953 75.381,954 58.609,955 25.8,956 18.534,957 258.964,959 270.735,960 153.922,961 61.29,964 270.735,965 61.29,968 23.16,969 128.863,970 1.899,972 270.735,973 70.724,974 144.488,977 270.735,978 26.696,979 127.226,981 61.29,982 270.735,983 70.724,984 144.488,986 0.597,987 0.354,988 0.17,989 0.095,990 20,991 11,992 0.077,993 4,994 1,995 1.133,996 3.716,997 230.186,998 0.133,999 15,1000 122.382,1005 19.235,1006 7.605,1007 3.783,1008 0.957,1009 67.538,1010 15.158,1015 3.228,1016 2.054,1018 485.947,1019 39,1024 23.443,1028 -0.452,1031 50.283,1032 56.566,1034 0.28,1035 0.602,1036 0.74,1037 0.859,1038 0.859,1039 0.859,1040 4.942,1041 1.343,1042 5.849,1043 4.198,1044 4.443,1045 5.014,1046 2.825,1047 6.706,1048 4.339,1049 6.182,1050 1.086,1051 7.452,1052 3.701,1053 4.205,1054 4.977,1055 2.364,1056 7.719,1057 4.027,1058 7.513,1059 1,1060 9.154,1061 2.542,1062 6.089,1063 7.277,1064 3.96,1065 10.833,1066 5.864,1067 8.882,1068 0.975,1069 10.911,1070 2.317,1071 6.635,1072 8.058,1073 4.104,1074 12.658,1075 6.325,1076 10.282,1077 0.555,1078 12.704,1079 2.275,1080 8.044,1081 9.883,1082 5.314,1083 15.32,1084 7.689,1085 11.705,1086 -0.033,1087 14.52,1088 1.304,1089 8.927,1090 11.055,1091 5.728,1092 17.489,1093 8.487,1094 13.147,1095 -0.389,1096 16.354,1097 -0.082,1098 10.167,1099 12.697,1100 6.75,1101 20.002,1102 9.677,1103 3.307,1104 -0.683,1105 18.202,1106 -0.991,1107 11.203,1108 14.062,1109 7.311,1110 22.322,1111 10.632,1112 2.892,1113 11.673,1114 20.061,1115 -1.648,1116 12.386,1117 15.633,1118 8.23,1119 24.786,1120 11.758,1121 2.735,1122 9.763,1123 21.93,1124 4.682,1125 13.493,1126 17.091,1127 8.876,1128 27.175,1129 12.788,1130 2.511,1131 8.073,1132 23.807,1133 3.773,1134 14.661,1135 18.637,1136 9.738,1137 29.625,1138 13.893,1139 2.224,1140 7.792,1141 25.691,1142 3.396,1143 15.803,1144 20.139,1145 10.437,1146 32.046,1147 14.961,1148 1.947,1149 6.428,1150 27.58,1151 3.093,1152 16.97,1153 21.678,1154 11.266,1155 34.493,1156 16.064,1157 1.538,1158 5.814,1159 29.475,1160 2.846,1161 18.131,1162 23.2,1163 11.998,1164 36.929,1165 17.152,1166 8212,1167 13864,1168 18.323,1169 32.62,1170 44.899,1171 46.104,1172 46.882,1173 44.292,1174 44.224,1175 58.621,1176 10.977,1177 131.763,1178 42.089,1179 5.548,1180 5.762,1181 6.451,1182 5.305,1183 5.307,1184 7.682,1185 3.912,1186 19.339,1187 5.091,1188 17.979,1189 1.548,1190 1.59,1191 1.617,1192 1.527,1193 1.525,1194 2.021,1195 0.379,1196 4.544,1197 1.451,1198 4.189,1199 4.238,1200 4.16,1201 4.036,1202 7.434,1203 4.06,1204 3.873,1205 3.896,1206 3.822,1207 3.782,1208 7.428,1209 3.787,1210 3.649,1211 3.707,1212 3.573,1213 3.409,1214 4.992,1215 3.439,1216 3.591,1217 3.655,1218 3.498,1219 3.328,1220 4.774,1221 3.359,1222 3.393,1223 3.452,1224 3.282,1225 3.246,1226 4.341,1227 3.248,1228 3.141,1229 3.234,1230 2.966,1231 2.931,1232 4.221,1233 2.924,1234 3.071,1235 3.166,1236 2.899,1237 2.833,1238 4.069,1239 2.819,1240 3.007,1241 3.032,1242 2.792,1243 2.735,1244 3.992,1245 2.75,1246 0.163,1247 0.13,1248 0.239,1249 0.146,1250 0.114,1251 4.725,1252 0.161,1253 3.762,1254 0.076,1255 6.941,1256 0.403,1257 4.24,1258 0.107,1259 3.307,1260 4.682,1261 2.208,1262 11.673,1263 3.091,1264 1.925,1265 1.893,1266 2.014,1267 2.102,1268 1.143,1269 2.077,1270 1.914,1271 1.88,1272 2.006,1273 2.013,1274 1.121,1275 2.011,1276 1.553,1277 1.496,1278 1.785,1279 1.83,1280 0.838,1281 1.814,1282 1.508,1283 1.439,1284 1.755,1285 1.769,1286 0.817,1287 1.766,1288 1.436,1289 1.372,1290 1.672,1291 1.661,1292 0.736,1293 1.666,1294 1.135,1295 1.053,1296 1.541,1297 1.415,1298 0.591,1299 1.463,1300 1.126,1301 1.028,1302 1.417,1303 1.338,1304 0.469,1305 1.356,1306 0.934,1307 0.846,1308 1.374,1309 1.239,1310 0.458,1311 1.308,1312 4.078,1314 5.425,1315 2.398,1316 6.961,1317 4.844,1318 8.581,1319 7.05,1320 10.248,1322 8.544,1330 5.264,1333 2.988,1340 31.235,1341 78.957,1342 169.938,1343 208.767,1344 242.418,1345 242.418,1346 242.418,1347 45.771,1348 7.411,1349 58.14,1350 58.14,1351 17,1352 12.642,1353 4.248,1354 3.459,1355 47.095,1356 104,1357 108,1358 0.225,1359 194.72,1360 332.71,1361 466.877,1362 15360,1364 19.715,1365 0.73,1366 0.599,1367 19.715,1368 16.185,1369 12.791,1370 0.441,1371 0.298,1372 8.458,1373 12.124,1374 8.071,1375 6.825,1376 12.791,1377 8.638,1378 12.022,1379 0.286,1380 0.159,1381 12.022,1382 6.672,1383 10.137,1384 0.181,1385 0.082,1386 10.137,1387 4.604,1388 7.603,1389 0.107,1390 0.041,1391 7.603,1392 2.935,1393 6.271,1394 0.069,1395 0.022,1396 6.271,1397 2.012,1398 0.352,1399 81.24,1400 0.234,1401 25.845,1402 0.619,1403 142,1404 436.475,1405 160.404,1406 416.454,1407 569.24,1408 388,1409 169,1410 428.236,1411 188.159,1412 432.323,1413 629.59,1414 402,1415 4.611}
{0 CHEMBL1082428,1 1.539,2 9.455,3 3.091,4 9.552,5 84.533,6 7.409,7 0.667,8 3.792,9 3.913,10 3.362,11 3.299,12 4.918,13 3.292,14 4.296,15 4.476,16 3.726,17 3.664,18 5.43,19 3.643,20 4.455,21 4.63,22 3.754,23 3.808,24 5.516,25 3.765,26 4.562,27 4.754,28 3.65,29 3.835,30 5.612,31 3.752,32 4.552,33 4.797,34 3.482,35 3.762,36 5.502,37 3.64,38 4.431,39 4.675,40 3.289,41 3.643,42 5.349,43 3.494,44 4.343,45 4.626,46 3.093,47 3.436,48 5.161,49 3.269,50 4.036,51 4.299,52 2.921,53 3.082,54 4.978,55 2.965,56 0.017,57 0.591,58 8.176,59 3.404,60 5.302,61 4.513,62 0.339,63 0.921,64 15.39,65 5.364,66 26.587,67 7.469,68 0.181,69 1.044,70 17.967,71 6.669,72 19.496,73 8.887,74 0.256,75 1.12,76 20.669,77 7.496,78 32.846,79 10.039,80 0.209,81 1.085,82 21.334,83 7.691,84 28.707,85 10.997,86 0.198,87 0.928,88 18.896,89 7.404,90 25.867,91 10.44,92 0.18,93 0.79,94 18.374,95 6.942,96 22.063,97 10.039,98 0.206,99 0.577,100 13.563,101 4.661,102 20.063,103 6.566,104 20,105 34,106 0.271,107 0.611,108 0.745,109 0.84,110 0.84,111 0.84,112 3.147,113 0.896,114 -3.27,115 -3.25,116 -3.12,121 42.5,122 1,126 2,144 7,145 1,146 1,148 1,153 1,154 1,161 1,163 1,176 6,179 1,180 5,182 1,183 2,187 6,189 2,192 4,200 3,203 3,206 5,211 2,214 2,216 4,219 4,224 2,227 5,232 1,234 1,237 1,239 8,243 1,251 6,256 1,258 1,263 1,268 1,269 3,272 1,281 610,282 14.801,283 14.801,284 14.801,285 14.801,286 14.801,287 12.731,288 12.34,289 8.558,290 15.194,291 11.744,292 11.744,293 11.744,294 11.744,295 11.744,296 8.588,297 10.054,298 3.97,299 12.342,300 3.783,301 1.855,302 1.098,303 0.557,304 0.557,305 0.557,306 3.824,310 1,311 1,312 1,313 444,314 2.915,317 45.468,318 127.552,321 89.65,325 1.686,326 13.095,327 1,328 1,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 47.5,338 208,339 4.702,340 3.659,341 6.872,342 4.207,343 3.269,344 4.668,345 2.186,346 11.409,347 3.07,348 4.128,349 3.309,350 6.158,351 3.703,352 2.739,353 3.75,354 0.366,355 8.911,356 2.638,357 3.848,358 2.791,359 5.527,360 3.46,361 2.524,362 3.272,364 7.369,365 2.345,366 3.576,367 2.583,368 5.398,369 3.146,370 2.187,371 2.896,373 6.556,374 2.084,375 3.367,376 2.213,377 4.788,378 2.938,379 1.967,380 2.622,382 5.283,383 1.897,384 3.014,385 1.562,386 4.519,387 2.505,388 1.526,389 2.256,391 4.131,392 1.49,393 2.75,394 1.437,395 4.218,396 2.267,397 1.319,398 1.855,400 3.652,401 1.246,402 2.5,403 1.115,404 3.575,405 2,406 1,407 1.5,409 2.321,410 1,411 2.342,412 1.064,413 3.414,414 1.909,415 0.944,416 1.284,418 2.275,419 0.909,420 1.523,421 1,422 2.916,423 1.318,424 0.407,425 0.436,427 0.643,428 0.367,429 1.355,430 0.682,431 2.609,432 0.975,438 1.12,439 0.133,440 2.369,441 0.727,442 -0.252,443 -0.323,445 -0.576,446 -0.243,447 0.785,448 -0.25,449 2.27,450 0.385,451 -0.576,452 -0.745,454 -1.366,455 -0.551,456 0.597,457 -0.461,458 2,459 0.146,460 -0.841,461 -1.129,463 -2.093,464 -0.819,465 0.5,466 -0.872,467 2,469 -1,470 -1.5,472 -3,473 -1,474 10.367,475 0.471,476 0.575,477 0.026,478 29.75,479 1.352,480 15,481 0.682,482 14.75,483 0.67,484 15.103,485 0.686,486 23.533,487 0.588,488 21.193,489 0.963,490 6.219,491 0.283,492 4.378,493 0.199,494 0.177,496 0.367,501 0.833,502 1.481,503 0.778,504 1.155,505 0.628,506 0.983,507 0.673,508 0.921,509 0.744,510 0.784,511 0.428,512 0.761,513 1.182,514 1.083,515 0.995,516 0.99,517 0.8,518 0.962,519 1.306,520 1.153,521 1.241,522 1.128,523 1.177,524 1.171,525 0.792,526 0.993,527 1.052,528 1.042,529 0.834,530 1.071,531 0.602,532 0.994,533 1.043,534 1.146,535 0.815,536 1.167,537 0.466,538 0.902,539 0.789,540 1.018,541 0.438,542 0.976,543 0.911,544 0.901,545 0.86,546 0.973,547 0.782,548 0.935,549 4.5,550 0.099,551 2.889,552 1.951,553 1.446,554 0.691,555 0.358,556 0.253,557 0.185,558 0.134,559 4857,560 12877,561 2.043,562 45,564 13,565 1,567 1,568 3,572 1.642,573 1.886,574 3.202,575 -0.31,576 1,577 1,579 1,582 61.577,583 1.539,584 3.467,585 4.224,586 4.765,587 4.765,588 4.765,589 2.754,590 4.005,591 4.426,592 3.374,593 779.289,594 7.592,595 8495.38,596 1,597 1,598 1,599 1,600 212.877,601 1.495,602 4.376,603 0.188,604 0.01,605 0.085,606 0.056,607 0.048,608 0.028,609 0.018,610 0.016,611 0.014,612 0.01,613 0.472,614 0.83,615 1,616 1.258,617 101.194,618 -0.033,619 -0.302,620 0.065,621 -0.132,622 -0.079,623 -0.037,624 0.322,625 0.208,626 0.187,627 0.178,628 0.238,629 0.167,630 -0.167,631 -0.011,632 -0.072,633 0.004,634 -0.031,635 -0.012,636 -0.246,637 -0.124,638 -0.301,639 -0.143,640 -0.169,641 -0.22,642 -0.081,643 -0.008,644 -0.105,645 -0.06,646 -0.02,647 -0.077,648 0.053,649 -0.06,650 -0.104,651 -0.128,652 -0.065,653 -0.14,654 0.195,655 -0.059,656 0.198,657 -0.002,658 0.086,659 0.08,660 0.169,661 -0.033,662 0.172,663 -0.002,664 0.095,665 0.063,666 2.136,667 4.204,668 0.682,669 18.545,670 1.002,671 1.126,672 2.036,673 4.144,674 0.666,675 3.219,676 3.555,677 3.85,678 4.111,679 4.331,680 4.407,681 4.522,682 4.615,683 4.625,684 4.615,685 5.648,686 0.636,687 296.38,688 3.219,689 4.762,690 5.624,691 6.512,692 7.396,693 8.292,694 9.186,695 10.088,696 10.988,697 11.893,698 7.5,705 1,706 1,708 1,714 1,715 8,720 4,721 1,722 16,737 1,741 40,743 17,744 1,745 24,747 42,748 17,749 13,750 2,751 4,756 3,757 4,763 1,772 14,773 3,777 1,782 1,786 1,789 1,790 1,793 18,794 3,795 1,796 5,799 1,802 3,803 1,808 0.667,809 2,822 1,828 1,829 2,832 1,859 2,864 3,868 22,877 1,878 1,893 5,896 1,898 1,901 11.667,902 8.2,903 4.889,904 2.319,907 3.267,908 1.469,909 0.991,910 3.963,911 10.228,912 3.526,913 4.186,914 4.829,915 5.471,916 6.038,917 6.415,918 6.867,919 7.31,920 7.582,921 7.887,922 1,923 35,924 8.069,926 3.327,927 0.026,929 7.727,931 15.385,933 12.231,936 2.227,937 49,941 200.109,942 123.419,943 21.196,945 36.145,948 123.419,949 236.254,950 21.196,951 25.618,952 18.011,953 75.381,954 28.759,955 23.472,956 21.29,957 188.338,959 200.109,960 144.616,961 36.145,964 200.109,965 36.145,968 32.594,969 110.122,970 1.899,972 200.109,973 57.341,974 123.419,977 200.109,978 22.42,979 104.185,980 18.011,981 36.145,982 200.109,983 57.341,984 123.419,986 0.584,987 0.351,988 0.182,989 0.1,990 17,991 8,992 0.071,993 3,994 1,995 1.133,996 3.395,997 172.505,998 0.133,999 15,1000 92.107,1005 14.755,1006 5.909,1007 2.786,1008 1.126,1009 54.156,1010 15.801,1015 3.861,1016 2.14,1017 18.011,1018 380.869,1019 33,1024 11.204,1028 -0.469,1031 40.087,1032 45.028,1034 0.289,1035 0.652,1036 0.794,1037 0.895,1038 0.895,1039 0.895,1040 4.754,1041 1,1042 5.624,1043 3.652,1044 4.234,1045 4.871,1046 2.255,1047 6.463,1048 4.136,1049 5.991,1050 0.944,1051 7.206,1052 2.321,1053 3.892,1054 4.796,1055 1.784,1056 7.431,1057 3.723,1058 7.321,1059 0.407,1060 8.888,1061 2.275,1062 5.855,1063 7.172,1064 3.49,1065 10.551,1066 5.645,1067 8.691,1069 10.628,1070 0.643,1071 6.33,1072 7.939,1073 3.59,1074 12.362,1075 6.036,1076 10.093,1077 -0.252,1078 12.406,1080 7.782,1081 9.802,1082 4.905,1083 15.02,1084 7.452,1085 11.519,1086 -0.576,1087 14.212,1088 -0.576,1089 8.631,1090 10.973,1091 5.289,1092 17.185,1093 8.216,1094 12.965,1095 -0.841,1096 16.039,1097 -1.366,1098 9.892,1099 12.633,1100 6.387,1101 19.69,1102 9.436,1103 3.269,1104 -1,1105 17.881,1106 -2.093,1107 10.915,1108 14,1109 6.93,1110 22.006,1111 10.379,1112 2.739,1113 11.409,1114 19.737,1115 -3,1116 12.108,1117 15.579,1118 7.902,1119 24.459,1120 11.522,1121 2.524,1122 8.911,1123 21.604,1124 4.668,1125 13.212,1126 17.038,1127 8.539,1128 26.84,1129 12.551,1130 2.187,1131 7.369,1132 23.48,1133 3.75,1134 14.385,1135 18.587,1136 9.436,1137 29.277,1138 13.668,1139 1.967,1140 6.556,1141 25.363,1142 3.272,1143 15.527,1144 20.088,1145 10.13,1146 31.685,1147 14.739,1148 1.526,1149 5.283,1150 27.252,1151 2.896,1152 16.697,1153 21.628,1154 10.981,1155 34.118,1156 15.848,1157 1.319,1158 4.131,1159 29.146,1160 2.622,1161 17.856,1162 23.149,1163 11.71,1164 36.539,1165 16.94,1166 4816,1167 7947,1168 15.72,1169 26.637,1170 36.002,1171 37.329,1172 38.103,1173 35.775,1174 35.765,1175 49.078,1176 5.105,1177 105.099,1178 34.093,1179 5.495,1180 5.659,1181 6.423,1182 5.259,1183 5.269,1184 7.668,1185 3.889,1186 18.889,1187 5.07,1188 11.756,1189 1.5,1190 1.555,1191 1.588,1192 1.491,1193 1.49,1194 2.045,1195 0.213,1196 4.379,1197 1.421,1198 4.186,1199 4.235,1200 4.154,1201 4.039,1202 7.435,1203 4.061,1204 3.868,1205 3.891,1206 3.815,1207 3.784,1208 4.995,1209 3.787,1210 3.547,1211 3.603,1212 3.469,1213 3.341,1214 4.776,1215 3.353,1216 3.451,1217 3.523,1218 3.337,1219 3.194,1220 4.342,1221 3.231,1222 3.182,1223 3.254,1224 3.027,1225 3.039,1226 4.208,1227 3.025,1228 3.03,1229 3.127,1230 2.832,1231 2.806,1232 3.989,1233 2.79,1234 2.971,1235 3.023,1236 2.726,1237 2.735,1238 3.936,1239 2.715,1240 2.854,1241 2.925,1242 2.687,1243 2.699,1244 3.675,1245 2.706,1246 0.196,1247 0.152,1248 0.286,1249 0.175,1250 0.136,1251 4.702,1252 0.194,1253 3.659,1254 0.091,1255 6.872,1256 0.475,1257 4.207,1258 0.128,1259 3.269,1260 4.668,1261 2.186,1262 11.409,1263 3.07,1264 1.934,1265 1.893,1266 2.037,1267 2.094,1268 1.163,1269 2.079,1270 1.914,1271 1.89,1272 2.009,1273 2.011,1274 1.124,1275 2.01,1276 1.518,1277 1.464,1278 1.72,1279 1.772,1280 0.809,1281 1.75,1282 1.39,1283 1.313,1284 1.684,1285 1.683,1286 0.681,1287 1.689,1288 1.157,1289 1.078,1290 1.514,1291 1.38,1292 0.573,1293 1.431,1294 1.125,1295 1.048,1296 1.366,1297 1.335,1298 0.455,1299 1.352,1300 0.886,1301 0.832,1302 1.181,1303 1.207,1304 0.218,1305 1.172,1306 0.874,1307 0.821,1308 1.076,1309 1.062,1310 0.162,1311 1.107,1312 3.892,1314 5.22,1315 2.398,1316 6.749,1317 4.844,1318 8.366,1319 7.05,1320 10.03,1322 5.655,1329 2.424,1330 5.101,1340 25.445,1341 61.577,1342 138.696,1343 168.961,1344 190.612,1345 190.612,1346 190.612,1347 26.064,1348 6.961,1349 46.62,1350 46.62,1351 17,1352 12.413,1353 4.17,1354 3.322,1355 34.633,1356 74,1357 82,1358 0.236,1359 158.08,1360 263.66,1361 377.475,1362 8701,1364 15.69,1365 0.713,1366 0.586,1367 15.69,1368 12.883,1369 10.597,1370 0.442,1371 0.299,1372 7.048,1373 10.128,1374 6.788,1375 5.717,1376 10.597,1377 7.172,1378 9.524,1379 0.28,1380 0.155,1381 9.524,1382 5.254,1383 8.302,1384 0.18,1385 0.084,1386 8.302,1387 3.857,1388 6.642,1389 0.111,1390 0.044,1391 6.642,1392 2.622,1393 5.37,1394 0.072,1395 0.024,1396 5.37,1397 1.781,1398 0.368,1399 66.69,1400 0.252,1401 21.669,1402 0.654,1403 116,1404 331.782,1405 129.359,1406 319.799,1407 445.32,1408 300,1409 138,1410 341.726,1411 151.004,1412 343.858,1413 502.63,1414 323,1415 5.398}
{0 CHEMBL1082433,1 1.245,2 11.609,3 4.482,4 20.085,5 95.975,6 6.406,7 0.48,8 3.919,9 4.048,10 3.365,11 3.522,12 4.866,13 3.452,14 4.492,15 4.684,16 3.653,17 3.919,18 5.346,19 3.812,20 4.817,21 5.063,22 3.657,23 4.061,24 5.618,25 3.902,26 4.878,27 5.161,28 3.491,29 3.984,30 5.63,31 3.791,32 4.776,33 5.069,34 3.447,35 3.886,36 5.526,37 3.707,38 4.657,39 4.919,40 3.37,41 3.833,42 5.463,43 3.659,44 4.591,45 4.861,46 3.245,47 3.763,48 5.362,49 3.568,50 4.473,51 4.763,52 3.079,53 3.626,54 5.136,55 3.415,56 0.046,57 0.631,58 11.073,59 4.927,60 6.475,61 6.868,62 0.122,63 1.085,64 20.065,65 8.19,66 12.542,67 11.676,68 0.183,69 1.401,70 27.961,71 11.364,72 26.924,73 16.144,74 0.222,75 1.423,76 29.898,77 11.811,78 33.577,79 16.833,80 0.204,81 1.281,82 27.004,83 10.6,84 28.368,85 15.153,86 0.191,87 1.145,88 23.96,89 9.58,90 28.158,91 13.471,92 0.206,93 1.068,94 22.282,95 9.224,96 27.704,97 13.031,98 0.098,99 0.958,100 19.493,101 8.285,102 15.155,103 11.904,104 2,105 32,106 0.213,107 0.487,108 0.657,109 0.759,110 0.8,111 0.807,112 3.187,113 1.039,114 -5.21,115 -5.1,116 -4.77,121 43.8,123 4,124 1,127 3,144 10,145 2,159 1,176 16,180 5,187 17,192 6,200 11,206 6,214 7,219 5,227 12,239 14,243 1,244 1,251 12,256 2,264 7,269 3,277 4,281 743,282 15.913,283 15.913,284 15.913,285 15.913,286 15.913,287 14.32,288 13.867,289 9.855,290 15.991,291 12.377,292 12.377,293 12.377,294 12.377,295 12.377,296 10.093,297 15.853,298 4.749,299 12.485,300 4.34,301 2.746,302 1.755,303 1.156,304 0.917,305 0.875,306 3.875,311 1,312 1,313 575,314 2.828,318 255.013,325 2.008,326 12.798,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 47.5,338 267,339 4.142,340 3.6,341 6.02,342 3.818,343 2.799,344 3.67,345 1.277,346 8.548,347 2.854,348 3.941,349 3.017,350 5.616,351 3.68,352 2.713,353 3.457,354 0.916,355 7.786,356 2.626,357 3.604,358 2.557,359 5.329,360 3.46,361 2.461,362 2.658,363 0.172,364 6.942,365 2.458,366 3.297,367 2.236,368 4.955,369 3.041,370 2.084,371 2.529,373 5.869,374 1.987,375 3.14,376 2.174,377 4.284,378 2.809,379 1.792,380 2.224,382 4.182,383 1.816,384 2.823,385 1.52,386 3.595,387 2.417,388 1.422,389 1.923,391 3.043,392 1.414,393 2.589,394 1.324,395 3.496,396 2.171,397 1.165,398 1.575,400 2.678,401 1.171,402 2.5,403 1.085,404 3.414,405 2,406 1,407 1.5,409 2.275,410 1,411 2.5,412 1.077,413 3.247,414 2,415 1,416 1.5,418 2.136,419 1,420 2,421 1,422 3.247,423 1.984,424 1,425 1,427 2.136,428 0.983,429 1.752,430 1,431 3.035,432 1.567,433 0.54,434 0.618,436 1.245,437 0.551,438 1.216,439 0.371,440 2.735,441 1.03,442 0.043,443 0.048,445 0.107,446 0.042,447 0.757,448 -0.087,449 2.189,450 0.488,451 -0.513,452 -0.58,454 -1.168,455 -0.513,456 0.701,457 -0.507,458 2,459 0.28,460 -0.749,461 -1,463 -1.608,464 -0.765,465 0.5,466 -0.741,467 1.669,468 0.007,469 -1,470 -1.032,472 -2.347,473 -0.946,474 11.233,475 0.488,476 0.362,477 0.016,478 27,479 1.174,480 13.5,481 0.587,482 13.5,483 0.587,484 19.176,485 0.834,486 24.767,487 0.516,488 16.376,489 0.712,490 5.124,491 0.223,492 6.185,493 0.269,494 0.03,496 0.214,501 0.638,502 1.216,503 0.933,504 1.096,505 0.518,506 1.043,507 0.962,508 1.141,509 1.105,510 1.101,511 0.601,512 1.099,513 1.034,514 1.119,515 1.089,516 1.109,517 0.897,518 1.101,519 1.178,520 1.015,521 1.022,522 1.004,523 1.15,524 1.003,525 1.131,526 0.862,527 0.897,528 0.857,529 1.111,530 0.859,531 1.424,532 0.962,533 1.092,534 0.99,535 1.55,536 1.017,537 0.956,538 0.993,539 1.061,540 1.029,541 1.209,542 1.056,543 0.405,544 1.056,545 0.929,546 1.053,547 0.424,548 1.032,549 3.5,550 0.078,551 1.778,552 0.75,553 0.724,554 0.424,555 0.301,556 0.17,557 0.094,558 0.088,559 6727,560 13864,561 2.119,562 52.1,563 3,564 16,568 2,569 4,572 1.648,573 2.06,574 3.513,575 -0.901,577 1,582 59.743,583 1.245,584 2.839,585 3.83,586 4.429,587 4.668,588 4.71,589 2.947,590 3.882,591 4.495,592 3.673,593 929.299,594 7.693,595 11263.1,597 1,599 1,600 268.078,601 0.998,602 4.488,603 0.14,604 0.007,605 0.056,606 0.025,607 0.03,608 0.018,609 0.014,610 0.009,611 0.006,612 0.007,613 0.31,614 0.5,615 1,616 0.393,617 111.014,618 0.035,619 -0.074,620 0.053,621 -0.005,622 0.028,623 0.019,624 -0.08,625 -0.031,626 -0.111,627 -0.084,628 -0.003,629 -0.094,630 -0.047,631 -0.113,632 -0.107,633 -0.124,634 0.017,635 -0.119,636 -0.039,637 -0.063,638 -0.036,639 -0.05,640 -0.012,641 -0.044,642 -0.008,643 0.089,644 0.09,645 0.091,646 -0.01,647 0.097,648 -0.133,649 0.005,650 -0.096,651 -0.021,652 -0.16,653 -0.051,654 0.052,655 -0.044,656 -0.087,657 -0.05,658 -0.098,659 -0.078,660 0.073,661 -0.115,662 0.01,663 -0.074,664 0.007,665 -0.043,666 1.377,667 5.182,668 0.783,669 22.752,670 0.98,671 1.119,672 3.979,673 15.832,674 0.658,675 3.258,676 3.497,677 3.689,678 3.85,679 4.043,680 3.892,681 3.97,682 4.043,683 4.078,684 4.111,685 6.831,686 0.605,687 307.47,688 3.258,689 4.745,690 5.549,691 6.372,692 7.188,693 8.013,694 8.833,695 9.659,696 10.481,697 11.307,698 2.1,701 1,715 10,720 2,722 12,727 1,741 48,743 13,744 2,745 25,747 50,748 21,749 12,750 2,751 10,752 1,756 3,757 3,767 2,768 1,770 4,772 13,773 8,774 1,777 1,782 1,786 1,790 1,793 25,794 2,796 2,802 1,808 1,809 1,829 3,855 1,859 3,868 23,876 7,880 1,881 1,893 2.1,896 1,901 11.167,902 8.283,903 5.194,904 3.126,907 1.85,908 1.275,909 0.97,910 5.603,911 8.573,912 3.497,913 3.951,914 4.388,915 4.798,916 5.225,917 4.925,918 5.102,919 5.106,920 5.218,921 5.394,922 0.875,923 30,924 8.559,926 3.543,927 0.026,929 7.493,931 17.061,933 14.202,936 1.993,937 45.833,938 0.001,940 1,941 294.278,942 122.722,943 3.124,945 25.145,948 122.722,949 319.422,950 3.124,952 16.455,953 94.762,954 30.278,955 9.495,957 294.278,959 294.278,960 125.847,961 25.145,964 247.193,965 72.229,968 19.58,969 106.267,972 294.278,973 28.269,974 122.722,977 294.278,978 27.96,979 97.887,981 25.145,982 294.278,983 28.269,984 122.722,986 0.561,987 0.316,988 0.163,989 0.09,990 14,991 5,992 0.12,993 6,995 1,996 3.774,997 167.49,999 18,1000 92.042,1005 15.954,1006 8.078,1007 4.773,1009 28.269,1010 20.364,1015 2.249,1018 445.269,1019 32,1024 12.182,1028 0.289,1031 47.032,1032 53.69,1034 0.223,1035 0.508,1036 0.686,1037 0.793,1038 0.836,1039 0.843,1040 4.682,1041 1,1042 5.468,1043 2.678,1044 4.174,1045 4.635,1046 1.752,1047 6.146,1048 4.16,1049 5.804,1050 1,1051 6.938,1052 2.275,1053 3.434,1054 3.951,1055 0.325,1056 6.742,1057 3.42,1058 7.037,1059 1,1060 8.505,1061 2.136,1062 5.638,1063 6.592,1064 1.986,1065 9.783,1066 5.61,1067 8.297,1068 0.54,1069 10.129,1070 2.136,1071 5.74,1072 6.721,1073 0.393,1074 11.224,1075 5.724,1076 9.59,1077 0.043,1078 11.792,1079 1.245,1080 7.348,1081 8.826,1082 2.341,1083 13.711,1084 7.315,1085 10.905,1086 -0.513,1087 13.481,1088 0.107,1089 7.865,1090 9.372,1091 0.384,1092 15.507,1093 7.853,1094 12.236,1095 -0.749,1096 15.188,1097 -1.168,1098 9.185,1099 11.199,1100 2.756,1101 17.779,1102 9.158,1103 2.799,1104 -1,1105 16.909,1106 -1.608,1107 9.925,1108 11.991,1109 0.351,1110 19.741,1111 9.921,1112 2.713,1113 8.548,1114 18.639,1115 -2.347,1116 11.095,1117 13.646,1118 3.203,1119 21.924,1120 11.082,1121 2.461,1122 7.786,1123 20.377,1124 3.67,1125 11.959,1126 14.596,1127 0.312,1128 23.968,1129 11.967,1130 2.084,1131 6.942,1132 22.121,1133 3.457,1134 13.052,1135 16.137,1136 3.667,1137 26.114,1138 13.058,1139 1.792,1140 5.869,1141 23.87,1142 2.658,1143 13.983,1144 17.192,1145 0.273,1146 28.199,1147 14.009,1148 1.422,1149 4.182,1150 25.623,1151 2.529,1152 15.036,1153 18.654,1154 4.143,1155 30.332,1156 15.065,1157 1.165,1158 3.043,1159 27.38,1160 2.224,1161 16.004,1162 19.782,1163 0.236,1164 32.438,1165 16.052,1166 6407,1167 9264,1168 17.277,1169 31.597,1170 36.415,1171 37.161,1172 36.507,1173 36.052,1174 36.038,1175 45.405,1176 4.733,1177 93.89,1178 35.803,1179 5.142,1180 5.6,1181 5.822,1182 4.854,1183 4.799,1184 6.67,1185 2.555,1186 14.474,1187 4.854,1188 5.947,1189 1.457,1190 1.486,1191 1.46,1192 1.442,1193 1.442,1194 1.816,1195 0.189,1196 3.756,1197 1.432,1198 3.983,1199 4.026,1200 3.898,1201 3.897,1202 7.427,1203 3.892,1204 3.909,1205 3.938,1206 3.84,1207 3.845,1208 4.76,1209 3.839,1210 3.812,1211 3.86,1212 3.698,1213 3.713,1214 4.723,1215 3.702,1216 3.499,1217 3.557,1218 3.377,1219 3.337,1220 4.318,1221 3.338,1222 3.215,1223 3.274,1224 3.089,1225 3.054,1226 3.904,1227 3.052,1228 3.111,1229 3.206,1230 2.866,1231 2.941,1232 3.675,1233 2.91,1234 2.952,1235 3.013,1236 2.787,1237 2.805,1238 3.674,1239 2.793,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.166,1247 0.144,1248 0.241,1249 0.153,1250 0.112,1251 4.142,1252 0.147,1253 3.6,1254 0.051,1255 6.02,1256 0.342,1257 3.818,1258 0.114,1259 2.799,1260 3.67,1261 1.277,1262 8.548,1263 2.854,1264 1.943,1265 1.908,1266 2.107,1267 2.072,1268 1.484,1269 2.087,1270 1.912,1271 1.885,1272 2.036,1273 2,1274 1.176,1275 2.012,1276 1.826,1277 1.778,1278 1.997,1279 1.938,1280 1.104,1281 1.961,1282 1.482,1283 1.425,1284 1.726,1285 1.677,1286 0.966,1287 1.696,1288 1.198,1289 1.138,1290 1.513,1291 1.402,1292 0.825,1293 1.429,1294 1.153,1295 1.064,1296 1.459,1297 1.376,1298 0.684,1299 1.422,1300 0.953,1301 0.896,1302 1.221,1303 1.157,1304 0.423,1305 1.18,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 3.932,1314 5.187,1316 6.64,1318 8.169,1320 9.733,1328 7.513,1332 0.703,1333 2.533,1340 29.058,1341 59.743,1342 136.281,1343 183.839,1344 212.568,1345 224.078,1346 226.078,1347 35.681,1348 6.724,1349 20.31,1350 20.31,1351 18,1352 11.884,1353 3.807,1354 3,1355 37.205,1356 95,1357 80,1358 0.189,1359 180.328,1360 314.29,1361 431.761,1362 7532,1364 15.908,1365 0.692,1366 0.594,1367 15.908,1368 13.656,1369 11.31,1370 0.452,1371 0.346,1372 8.61,1373 11.139,1374 8.404,1375 6.981,1376 11.31,1377 8.656,1378 9.579,1379 0.299,1380 0.204,1381 9.579,1382 6.533,1383 7.843,1384 0.201,1385 0.124,1386 7.843,1387 4.832,1388 6.088,1389 0.132,1390 0.073,1391 6.088,1392 3.378,1393 4.975,1394 0.089,1395 0.045,1396 4.975,1397 2.51,1398 0.307,1399 69.048,1400 0.241,1401 23.367,1402 0.487,1403 114,1404 251.381,1405 118.185,1406 250.851,1407 341.38,1408 236,1409 128,1410 241.749,1411 132.658,1412 250.094,1413 357.84,1414 236,1415 6.518}
{0 CHEMBL1082434,1 1.379,2 12.538,3 4.25,4 18.06,5 101.742,6 6.892,7 0.414,8 4.019,9 4.129,10 3.534,11 3.574,12 5,13 3.539,14 4.61,15 4.779,16 3.867,17 3.983,18 5.547,19 3.92,20 4.873,21 5.097,22 3.835,23 4.124,24 5.732,25 3.999,26 4.95,27 5.213,28 3.674,29 4.066,30 5.744,31 3.903,32 4.864,33 5.147,34 3.614,35 3.959,36 5.671,37 3.799,38 4.73,39 4.973,40 3.583,41 3.891,42 5.641,43 3.754,44 4.683,45 4.926,46 3.406,47 3.833,48 5.522,49 3.67,50 4.586,51 4.858,52 3.302,53 3.713,54 5.282,55 3.54,56 0.022,57 0.679,58 11.405,59 5.22,60 5.318,61 6.808,62 0.284,63 1.164,64 22.242,65 8.676,66 21.003,67 11.632,68 0.206,69 1.462,70 29.471,71 11.753,72 31.381,73 16.251,74 0.29,75 1.508,76 32.928,77 12.453,78 39.664,79 17.53,80 0.355,81 1.372,82 30.52,83 11.387,84 40.604,85 16.331,86 0.345,87 1.203,88 26.326,89 9.99,90 41.586,91 13.814,92 0.317,93 1.137,94 25.149,95 9.688,96 39.626,97 13.308,98 0.162,99 1.042,100 22.699,101 8.935,102 20.415,103 12.66,104 2,105 39,106 0.233,107 0.532,108 0.731,109 0.822,110 0.837,111 0.837,112 3.303,113 0.98,114 -4.73,115 -4.64,116 -4.36,121 43.1,123 4,124 1,127 3,128 1,144 8,145 2,146 2,159 1,176 13,179 1,180 7,187 13,192 10,200 9,206 7,214 6,218 1,219 5,227 10,231 1,232 2,239 12,243 1,244 3,251 9,256 5,264 5,269 4,277 4,281 1010,282 18.016,283 18.016,284 18.016,285 18.016,286 18.016,287 16.449,288 20.468,289 10.851,290 18.237,291 14.348,292 14.348,293 14.348,294 14.348,295 14.348,296 11.944,297 23.693,298 5.209,299 14.689,300 4.293,301 2.515,302 1.339,303 0.799,304 0.706,305 0.706,306 4.006,311 1,312 1,313 724,314 3,317 69.932,318 261.733,321 120.582,325 2.112,326 20.636,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 55.5,338 326,339 4.342,340 3.61,341 6.257,342 3.965,343 2.989,344 3.981,345 1.392,346 9.438,347 2.936,348 3.942,349 3.277,350 5.904,351 3.697,352 2.731,353 3.457,354 1.277,355 8.171,356 2.64,357 3.906,358 3.017,359 5.616,360 3.597,361 2.607,362 3.247,363 0.916,364 7.783,365 2.552,366 3.595,367 2.557,368 5.329,369 3.445,370 2.447,371 2.634,372 0.532,373 6.937,374 2.437,375 3.178,376 2.227,377 4.955,378 3.027,379 2.072,380 2.25,381 0.172,382 5.867,383 1.968,384 2.899,385 2.081,386 4.405,387 2.517,388 1.535,389 2.032,391 4.286,392 1.516,393 2.87,394 1.987,395 4.163,396 2.472,397 1.5,398 1.968,400 3.778,401 1.434,402 2.803,403 1.609,404 3.593,405 2.406,406 1.41,407 1.857,409 3.039,410 1.401,411 2.5,412 1.52,413 3.437,414 2.055,415 1.056,416 1.5,418 2.383,419 1.054,420 2.178,421 1.089,422 3.414,423 2,424 1,425 1.151,427 2.275,428 1,429 2,430 1.077,431 3.247,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.769,439 1,440 3.132,441 1.608,442 0.6,443 0.67,445 1.392,446 0.599,447 1.618,448 0.77,449 2.985,450 1.316,451 0.365,452 0.433,454 0.895,455 0.344,456 1.216,457 0.371,458 2.758,459 1.026,460 0.039,461 0.044,463 0.096,464 0.038,465 0.73,466 -0.073,467 2.381,468 0.488,469 -0.514,470 -0.579,472 -1.173,473 -0.513,474 12.4,475 0.477,476 0.482,477 0.019,478 31,479 1.192,480 14.5,481 0.558,482 16.5,483 0.635,484 22.322,485 0.859,486 28.4,487 0.557,488 19.862,489 0.764,490 5.89,491 0.227,492 6.886,493 0.265,494 0.027,496 0.274,501 0.751,502 1.278,503 0.829,504 1.152,505 0.562,506 1.023,507 1.032,508 1.056,509 1.023,510 1.011,511 0.665,512 1.004,513 0.807,514 1.143,515 1.04,516 1.135,517 0.851,518 1.119,519 0.859,520 1.045,521 1.015,522 1.042,523 1.094,524 1.048,525 0.611,526 0.875,527 0.822,528 0.878,529 0.895,530 0.875,531 0.901,532 0.968,533 1.006,534 0.997,535 1.428,536 1.012,537 1.032,538 1.006,539 1.146,540 1.05,541 1.52,542 1.111,543 0.625,544 1.044,545 0.915,546 1.045,547 0.494,548 1.027,549 4.5,550 0.098,551 2.444,552 0.944,553 1.062,554 0.566,555 0.372,556 0.235,557 0.161,558 0.108,559 9962,560 22863,561 2.172,562 49,563 3,564 14,565 2,568 2,569 4,572 1.682,573 2.108,574 3.613,575 -0.836,577 1,582 70.335,583 1.379,584 3.158,585 4.334,586 4.873,587 4.967,588 4.967,589 3.094,590 4.133,591 4.673,592 3.798,593 1234.5,594 8.048,595 16408.9,597 1,599 1,600 289.294,601 1.058,602 4.663,603 0.155,604 0.006,605 0.063,606 0.026,607 0.037,608 0.02,609 0.014,610 0.011,611 0.008,612 0.006,613 0.345,614 0.33,615 1,616 0.362,617 130.947,618 0.013,619 -0.129,620 0.076,621 -0.057,622 0.018,623 0.005,624 0.018,625 0.047,626 -0.057,627 0.001,628 0.028,629 -0.028,630 -0.04,631 -0.123,632 -0.095,633 -0.134,634 0.027,635 -0.123,636 -0.039,637 -0.083,638 -0.046,639 -0.073,640 -0.037,641 -0.063,642 0.133,643 0.075,644 0.149,645 0.082,646 0.098,647 0.114,648 0.055,649 0.002,650 -0.028,651 -0.02,652 -0.025,653 -0.031,654 -0.07,655 -0.052,656 -0.171,657 -0.067,658 -0.189,659 -0.127,660 0.033,661 -0.103,662 0.036,663 -0.063,664 -0.002,665 -0.022,666 1.463,667 5.486,668 0.808,669 26.834,670 0.994,671 1.12,672 3.496,673 12.223,674 0.657,675 3.401,676 3.689,677 3.932,678 4.143,679 4.331,680 4.317,681 4.407,682 4.477,683 4.419,684 4.477,685 7.426,686 0.617,687 351.48,688 3.401,689 4.92,690 5.753,691 6.603,692 7.447,693 8.3,694 9.149,695 10.003,696 10.854,697 11.709,698 2,701 1,715 8,720 4,722 12,727 1,739 2,741 51,743 13,744 2,745 29,747 54,748 22,749 12,750 4,751 8,752 1,756 4,757 5,767 2,768 1,770 4,772 13,773 9,774 1,777 1,782 1,786 1,790 1,793 25,794 4,796 4,802 1,808 0.75,809 3,828 1,829 3,832 1,855 1,859 3,868 26,876 8,878 2,880 1,881 1,893 5.9,896 1,898 2,901 12.333,902 8.95,903 5.722,904 3.272,907 1.997,908 1.271,909 0.981,910 5.447,911 9.367,912 3.611,913 4.111,914 4.595,915 5.05,916 5.511,917 5.529,918 5.716,919 5.76,920 5.637,921 5.79,922 1,923 36,924 9.678,926 4.115,927 0.026,929 7.564,931 19.082,933 16.098,936 2.064,937 53.667,939 1,940 1,941 294.278,942 120.907,943 3.124,945 47.145,948 120.907,949 341.422,950 3.124,952 23.105,953 75.81,954 30.278,955 41.982,956 23.542,957 270.735,959 294.278,960 124.031,961 47.145,964 247.193,965 94.229,968 26.23,969 97.801,972 294.278,973 50.269,974 120.907,977 294.278,978 45.097,979 78.934,981 47.145,982 294.278,983 50.269,984 120.907,986 0.574,987 0.33,988 0.172,989 0.092,990 19,991 7,992 0.111,993 6,994 1,995 1.095,996 4.077,997 208.36,998 0.095,999 21,1000 114.211,1005 17.416,1006 8.131,1007 4.411,1009 50.269,1010 16.135,1015 3.525,1018 465.454,1019 36,1024 12.486,1028 0.204,1031 50.687,1032 57.109,1034 0.243,1035 0.557,1036 0.764,1037 0.859,1038 0.876,1039 0.876,1040 4.836,1041 1.41,1042 5.7,1043 3.778,1044 4.369,1045 4.796,1046 2.323,1047 6.438,1048 4.326,1049 5.98,1050 1.056,1051 7.209,1052 3.039,1053 3.761,1054 4.369,1055 0.325,1056 7.154,1057 3.693,1058 7.244,1059 1,1060 8.812,1061 2.383,1062 5.894,1063 6.825,1064 2.704,1065 10.21,1066 5.807,1067 8.539,1068 1,1069 10.473,1070 2.275,1071 6.133,1072 7.241,1073 0.393,1074 11.761,1075 6.021,1076 9.868,1077 0.6,1078 12.17,1079 2.136,1080 7.676,1081 9.158,1082 3.217,1083 14.284,1084 7.548,1085 11.219,1086 0.365,1087 13.893,1088 1.392,1089 8.316,1090 9.981,1091 0.384,1092 16.187,1093 8.163,1094 12.588,1095 0.039,1096 15.633,1097 0.895,1098 9.597,1099 11.653,1100 3.781,1101 18.516,1102 9.429,1103 2.989,1104 -0.514,1105 17.387,1106 0.096,1107 10.441,1108 12.696,1109 0.351,1110 20.582,1111 10.249,1112 2.731,1113 9.438,1114 19.15,1115 -1.173,1116 11.6,1117 14.238,1118 4.37,1119 22.839,1120 11.393,1121 2.607,1122 8.171,1123 20.922,1124 3.981,1125 12.551,1126 15.41,1127 0.312,1128 24.984,1129 12.32,1130 2.447,1131 7.783,1132 22.699,1133 3.457,1134 13.655,1135 16.879,1136 4.974,1137 27.216,1138 13.409,1139 2.072,1140 6.937,1141 24.482,1142 3.247,1143 14.662,1144 18.129,1145 0.273,1146 29.402,1147 14.394,1148 1.535,1149 5.867,1150 26.27,1151 2.634,1152 15.743,1153 19.557,1154 5.587,1155 31.627,1156 15.458,1157 1.5,1158 4.286,1159 28.062,1160 2.25,1161 16.78,1162 20.855,1163 0.236,1164 33.835,1165 16.475,1166 9174,1167 14069,1168 20.167,1169 33.506,1170 42.924,1171 44.277,1172 43.076,1173 42.712,1174 42.7,1175 52.448,1176 8.579,1177 116.956,1178 41.807,1179 5.342,1180 5.61,1181 6.059,1182 5,1183 4.989,1184 6.981,1185 2.783,1186 15.798,1187 4.936,1188 6.368,1189 1.48,1190 1.527,1191 1.485,1192 1.473,1193 1.472,1194 1.809,1195 0.296,1196 4.033,1197 1.442,1198 4.003,1199 4.034,1200 3.946,1201 3.905,1202 7.427,1203 3.908,1204 3.933,1205 3.957,1206 3.858,1207 3.85,1208 4.999,1209 3.849,1210 3.821,1211 3.865,1212 3.708,1213 3.716,1214 4.755,1215 3.707,1216 3.545,1217 3.584,1218 3.454,1219 3.356,1220 4.329,1221 3.369,1222 3.299,1223 3.344,1224 3.171,1225 3.089,1226 4.287,1227 3.103,1228 3.141,1229 3.206,1230 2.99,1231 2.948,1232 3.973,1233 2.951,1234 3.111,1235 3.203,1236 2.866,1237 2.941,1238 3.888,1239 2.91,1240 2.92,1241 2.976,1242 2.77,1243 2.764,1244 3.674,1245 2.758,1246 0.15,1247 0.124,1248 0.216,1249 0.137,1250 0.103,1251 4.342,1252 0.137,1253 3.61,1254 0.048,1255 6.257,1256 0.325,1257 3.965,1258 0.101,1259 2.989,1260 3.981,1261 1.392,1262 9.438,1263 2.936,1264 1.939,1265 1.903,1266 2.105,1267 2.071,1268 1.484,1269 2.086,1270 1.896,1271 1.877,1272 2.021,1273 1.986,1274 1.176,1275 1.995,1276 1.819,1277 1.774,1278 1.954,1279 1.931,1280 1.101,1281 1.944,1282 1.473,1283 1.419,1284 1.711,1285 1.67,1286 0.96,1287 1.685,1288 1.196,1289 1.146,1290 1.513,1291 1.519,1292 0.825,1293 1.486,1294 1.153,1295 1.113,1296 1.456,1297 1.396,1298 0.682,1299 1.429,1300 1.153,1301 1.064,1302 1.436,1303 1.376,1304 0.579,1305 1.415,1306 0.924,1307 0.878,1308 1.192,1309 1.142,1310 0.416,1311 1.156,1312 4.078,1314 5.371,1315 2.398,1316 6.853,1317 4.595,1318 8.416,1319 6.581,1320 10.019,1328 7.478,1330 10.667,1332 0.653,1333 2.519,1340 31.487,1341 70.335,1342 161.052,1343 221.029,1344 248.539,1345 253.294,1346 253.294,1347 39.027,1348 7.37,1349 38.77,1350 38.77,1351 23,1352 12.264,1353 3.807,1354 3,1355 38.451,1356 118,1357 104,1358 0.156,1359 190.52,1360 336.81,1361 456.628,1362 17778,1364 17.769,1365 0.683,1366 0.578,1367 17.769,1368 15.025,1369 12.776,1370 0.441,1371 0.327,1372 9.356,1373 12.355,1374 9.166,1375 7.555,1376 12.776,1377 9.469,1378 11.205,1379 0.287,1380 0.186,1381 11.205,1382 7.235,1383 9.523,1384 0.19,1385 0.109,1386 9.523,1387 5.43,1388 7.64,1389 0.123,1390 0.062,1391 7.64,1392 3.824,1393 6.092,1394 0.081,1395 0.037,1396 6.092,1397 2.778,1398 0.256,1399 79.662,1400 0.223,1401 25.922,1402 0.401,1403 136,1404 364.852,1405 147.492,1406 344.858,1407 470.48,1408 326,1409 157,1410 337.658,1411 169.077,1412 341.979,1413 499.51,1414 321,1415 7.523}
{0 CHEMBL1082435,1 1.333,2 13.931,3 4.813,4 23.161,5 118.971,6 6.493,7 0.5,8 4.156,9 4.29,10 3.618,11 3.72,12 5.102,13 3.662,14 4.744,15 4.949,16 3.965,17 4.129,18 5.606,19 4.044,20 5.031,21 5.273,22 4.002,23 4.294,24 5.865,25 4.17,26 5.121,27 5.381,28 3.886,29 4.304,30 5.919,31 4.137,32 5.09,33 5.373,34 3.78,35 4.219,36 5.884,37 4.038,38 4.992,39 5.274,40 3.684,41 4.113,42 5.789,43 3.935,44 4.819,45 5.083,46 3.577,47 3.988,48 5.642,49 3.821,50 4.733,51 4.991,52 3.476,53 3.896,54 5.561,55 3.729,56 0.057,57 0.857,58 14.018,59 5.854,60 7.924,61 8.35,62 0.197,63 1.451,64 26.015,65 9.701,66 17.339,67 14.265,68 0.284,69 1.8,70 35.039,71 12.767,72 33.347,73 18.805,74 0.287,75 1.868,76 38.277,77 14.619,78 38.893,79 21.214,80 0.323,81 1.752,82 37.169,83 14.187,84 43.291,85 20.687,86 0.315,87 1.56,88 33.812,89 12.95,90 38.357,91 18.669,92 0.271,93 1.341,94 28.356,95 10.959,96 34.382,97 15.721,98 0.21,99 1.238,100 25.997,101 9.904,102 31.983,103 14.221,104 11,105 44,106 0.216,107 0.521,108 0.743,109 0.827,110 0.834,111 0.834,112 3.407,113 1.022,114 -5.15,115 -5.05,116 -4.72,121 41.7,122 2,123 4,124 1,127 4,144 8,145 2,148 1,154 1,159 1,163 1,176 13,179 1,180 10,187 13,192 10,200 9,206 8,214 10,218 1,219 5,227 14,231 1,232 2,239 13,243 1,244 4,251 10,256 6,264 7,269 4,277 6,281 1376,282 19.886,283 19.886,284 19.886,285 19.886,286 19.886,287 17.861,288 19.205,289 11.756,290 20.171,291 15.737,292 15.737,293 15.737,294 15.737,295 15.737,296 12.62,297 18.541,298 5.521,299 16.152,300 4.574,301 2.693,302 1.321,303 0.804,304 0.758,305 0.758,306 4.106,311 1,312 1,313 883,314 3.317,317 76.919,318 297.31,321 134.249,325 2.214,326 17.979,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 60.5,338 404,339 4.636,340 3.606,341 6.725,342 4.145,343 3.194,344 4.593,345 1.277,346 10.932,347 3.053,348 4.08,349 3.241,350 6.035,351 3.764,352 2.764,353 3.544,354 0.916,355 8.61,356 2.759,357 3.94,358 3.017,359 5.616,360 3.674,361 2.702,362 3.457,363 0.172,364 7.787,365 2.621,366 3.605,367 2.557,368 5.423,369 3.458,370 2.46,371 2.768,373 6.954,374 2.454,375 3.446,376 2.341,377 5.325,378 3.069,379 2.107,380 2.625,382 6.452,383 2.019,384 3.169,385 2.221,386 4.954,387 2.986,388 2.02,389 2.453,391 5.862,392 1.938,393 3.158,394 1.853,395 4.766,396 2.666,397 1.721,398 2.243,400 4.981,401 1.624,402 2.845,403 1.725,404 4.162,405 2.437,406 1.437,407 1.951,409 3.675,410 1.435,411 2.782,412 1.52,413 3.648,414 2.374,415 1.367,416 1.827,418 3.038,419 1.371,420 2.5,421 1.17,422 3.592,423 2.006,424 1.032,425 1.5,427 2.376,428 1.003,429 2.322,430 1.087,431 3.414,432 2,433 1,434 1.269,436 2.275,437 1,438 2,439 1.077,440 3.247,441 1.984,442 1,443 1,445 2.136,446 0.983,447 1.757,448 1,449 3.114,450 1.593,451 0.572,452 0.64,454 1.308,455 0.58,456 1.525,457 0.378,458 2.8,459 1.22,460 0.25,461 0.31,463 0.444,464 0.241,465 1.216,466 0.295,467 2.751,468 1.026,469 0.039,470 0.044,472 0.097,473 0.039,474 14.033,475 0.484,476 0.623,477 0.021,478 33.75,479 1.164,480 15.5,481 0.534,482 18.25,483 0.629,484 28.074,485 0.968,486 31.567,487 0.526,488 22.59,489 0.779,490 6.22,491 0.214,492 7.915,493 0.273,494 0.095,496 0.306,501 0.717,502 1.392,503 0.911,504 1.165,505 0.566,506 1.07,507 0.958,508 1.15,509 0.966,510 1.02,511 0.572,512 0.989,513 1.228,514 1.022,515 1.065,516 0.991,517 0.949,518 1.003,519 1.109,520 1.091,521 1.097,522 1.109,523 1.159,524 1.106,525 0.89,526 0.945,527 0.973,528 0.996,529 1.023,530 0.993,531 1.054,532 0.906,533 0.961,534 0.965,535 1.428,536 0.963,537 1.112,538 0.98,539 1.042,540 1.039,541 1.481,542 1.044,543 1.327,544 1.099,545 1.117,546 1.111,547 1.662,548 1.109,549 5.5,550 0.164,551 3.111,552 2.014,553 1.307,554 0.785,555 0.575,556 0.329,557 0.175,558 0.188,559 12893,560 25781,561 2.111,562 51.7,563 3,564 16,568 5,569 7,572 1.711,573 2,574 3.745,575 -0.853,582 79.982,583 1.333,584 3.214,585 4.585,586 5.102,587 5.148,588 5.148,589 3.237,590 4.349,591 4.829,592 3.923,593 1592.58,594 8.364,595 22976.4,597 1,600 354.413,601 1.314,602 4.8,603 0.172,604 0.007,605 0.071,606 0.046,607 0.035,608 0.024,609 0.019,610 0.012,611 0.007,612 0.009,613 0.402,614 0.33,615 1,616 0.674,617 151.508,618 0.049,619 -0.186,620 0.071,621 -0.051,622 0.011,623 -0.001,624 0.023,625 -0.012,626 0.034,627 -0.002,628 0.054,629 0.015,630 -0.119,631 0.036,632 -0.064,633 -0.005,634 0.007,635 -0.023,636 -0.079,637 -0.11,638 -0.114,639 -0.117,640 -0.042,641 -0.118,642 0.061,643 -0.002,644 0.003,645 -0.018,646 0.021,647 -0.012,648 0.054,649 0.018,650 0.023,651 0.015,652 -0.064,653 0.016,654 0.029,655 -0.029,656 -0.055,657 -0.045,658 -0.071,659 -0.057,660 -0.105,661 -0.14,662 -0.124,663 -0.119,664 -0.142,665 -0.125,666 1.415,667 5.753,668 0.724,669 33.008,670 0.983,671 1.125,672 3.922,673 15.384,674 0.652,675 3.497,676 3.807,677 4.078,678 4.317,679 4.511,680 4.522,681 4.663,682 4.736,683 4.644,684 4.682,685 8.027,686 0.603,687 389.59,688 3.497,689 5.03,690 5.878,691 6.746,692 7.608,693 8.482,694 9.351,695 10.228,696 11.102,697 11.981,698 5,701 1,706 1,708 1,714 2,715 8,716 1,720 3,721 1,722 16,727 1,741 60,743 17,744 2,745 32,747 63,748 25,749 13,750 4,751 8,752 1,756 4,757 5,763 2,767 2,768 1,770 4,772 14,773 11,774 1,777 1,782 1,786 1,793 31,794 3,796 4,799 1,802 3,808 0.75,809 1,828 1,829 3,832 1,855 1,859 3,864 2,868 29,876 8,880 1,881 1,893 1.7,896 1,901 14.5,902 11.267,903 6.444,904 4.072,907 2.833,908 1.369,909 0.984,910 6.227,911 10.508,912 3.738,913 4.314,914 4.893,915 5.463,916 5.958,917 6.203,918 6.616,919 6.893,920 6.69,921 6.711,922 1,923 44,924 10.799,926 4.541,927 0.026,929 7.477,931 21.486,933 18.09,936 1.977,937 57.333,939 1,940 1,941 364.904,942 130.142,943 21.809,945 25.145,948 130.142,949 390.049,950 21.809,951 17.65,952 18.561,953 75.81,954 49.392,955 13.539,956 2.144,957 364.904,959 364.904,960 151.951,961 25.145,964 282.506,965 107.543,968 45.707,969 89.459,970 16.786,972 364.904,973 46.954,974 130.142,977 364.904,978 36.682,979 98.484,981 41.93,982 364.904,983 46.954,984 130.142,986 0.577,987 0.342,988 0.184,989 0.098,990 21,991 9,992 0.111,993 7,994 1,995 1.095,996 4.239,997 244.592,998 0.095,999 21,1000 132.881,1005 20.006,1006 9.026,1007 4.659,1008 2.053,1009 45.055,1010 16.687,1011 4.625,1015 3.2,1016 2.187,1018 542,1019 41,1024 12.753,1028 0.252,1031 59.003,1032 67.517,1034 0.226,1035 0.544,1036 0.776,1037 0.864,1038 0.872,1039 0.872,1040 4.97,1041 1.437,1042 5.849,1043 4.981,1044 4.489,1045 5.001,1046 1.752,1047 6.637,1048 4.44,1049 6.155,1050 1.367,1051 7.393,1052 3.675,1053 4.007,1054 4.783,1055 0.325,1056 7.486,1057 3.924,1058 7.451,1059 1.032,1060 9.035,1061 3.038,1062 6.061,1063 7.189,1064 1.986,1065 10.573,1066 5.957,1067 8.784,1068 1,1069 10.736,1070 2.376,1071 6.415,1072 7.863,1073 0.393,1074 12.283,1075 6.269,1076 10.153,1077 1,1078 12.475,1079 2.275,1080 7.916,1081 9.741,1082 2.341,1083 14.883,1084 7.749,1085 11.549,1086 0.572,1087 14.242,1088 2.136,1089 8.668,1090 10.852,1091 0.384,1092 16.972,1093 8.453,1094 12.966,1095 0.25,1096 16.03,1097 1.308,1098 9.941,1099 12.515,1100 2.756,1101 19.415,1102 9.701,1103 3.194,1104 0.039,1105 17.834,1106 0.444,1107 10.889,1108 13.843,1109 0.351,1110 21.673,1111 10.597,1112 2.764,1113 10.932,1114 19.652,1115 0.097,1116 12.07,1117 15.417,1118 3.203,1119 24.069,1120 11.745,1121 2.702,1122 8.61,1123 21.482,1124 4.593,1125 13.115,1126 16.849,1127 0.312,1128 26.4,1129 12.737,1130 2.46,1131 7.787,1132 23.322,1133 3.544,1134 14.262,1135 18.388,1136 3.667,1137 28.785,1138 13.845,1139 2.107,1140 6.954,1141 25.17,1142 3.457,1143 15.356,1144 19.868,1145 0.273,1146 31.148,1147 14.886,1148 2.02,1149 6.452,1150 27.026,1151 2.768,1152 16.495,1153 21.395,1154 4.143,1155 33.532,1156 15.981,1157 1.721,1158 5.862,1159 28.889,1160 2.625,1161 17.615,1162 22.898,1163 0.236,1164 35.909,1165 17.047,1166 12087,1167 17211,1168 21.671,1169 39.131,1170 47.658,1171 48.515,1172 48.647,1173 47.365,1174 47.329,1175 60.447,1176 4.733,1177 133.85,1178 46.247,1179 5.636,1180 5.606,1181 6.527,1182 5.181,1183 5.194,1184 7.593,1185 2.555,1186 17.913,1187 5.053,1188 12.46,1189 1.489,1190 1.516,1191 1.52,1192 1.48,1193 1.479,1194 1.889,1195 0.148,1196 4.183,1197 1.445,1198 4.136,1199 4.177,1200 4.103,1201 4.02,1202 7.427,1203 4.035,1204 3.955,1205 4.004,1206 3.867,1207 3.867,1208 5.005,1209 3.862,1210 3.832,1211 3.876,1212 3.724,1213 3.73,1214 4.755,1215 3.721,1216 3.652,1217 3.696,1218 3.57,1219 3.497,1220 4.326,1221 3.508,1222 3.432,1223 3.506,1224 3.277,1225 3.27,1226 4.293,1227 3.261,1228 3.301,1229 3.388,1230 3.105,1231 3.124,1232 4.032,1233 3.106,1234 3.184,1235 3.251,1236 3.037,1237 3.026,1238 3.896,1239 3.018,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.71,1245 2.91,1246 0.145,1247 0.113,1248 0.21,1249 0.13,1250 0.1,1251 4.636,1252 0.144,1253 3.606,1254 0.04,1255 6.725,1256 0.342,1257 4.145,1258 0.095,1259 3.194,1260 4.593,1261 1.277,1262 10.932,1263 3.053,1264 1.959,1265 1.933,1266 2.106,1267 2.077,1268 1.485,1269 2.089,1270 1.927,1271 1.893,1272 2.037,1273 2.039,1274 1.209,1275 2.04,1276 1.833,1277 1.784,1278 2.001,1279 1.95,1280 1.159,1281 1.971,1282 1.649,1283 1.583,1284 1.863,1285 1.861,1286 1.044,1287 1.862,1288 1.479,1289 1.421,1290 1.716,1291 1.677,1292 0.948,1293 1.692,1294 1.323,1295 1.235,1296 1.661,1297 1.549,1298 0.825,1299 1.593,1300 1.195,1301 1.135,1302 1.513,1303 1.401,1304 0.739,1305 1.429,1306 1.153,1307 1.064,1308 1.456,1309 1.376,1310 0.684,1311 1.42,1312 4.174,1314 5.485,1315 2.398,1316 6.989,1317 4.844,1318 8.576,1319 7.018,1320 10.206,1322 4.146,1328 8.231,1332 0.663,1333 2.536,1340 36.154,1341 79.982,1342 192.862,1343 275.129,1344 306.149,1345 308.904,1346 308.904,1347 46.601,1348 7.675,1349 38.13,1350 38.13,1351 23,1352 12.519,1353 4.17,1354 3.322,1355 45.197,1356 142,1357 132,1358 0.153,1359 221.965,1360 379.59,1361 533.355,1362 25560,1364 20.217,1365 0.697,1366 0.607,1367 20.217,1368 17.603,1369 14.135,1370 0.442,1371 0.341,1372 10.815,1373 13.794,1374 10.489,1375 8.709,1376 14.135,1377 10.901,1378 12.463,1379 0.283,1380 0.188,1381 12.463,1382 8.274,1383 10.701,1384 0.185,1385 0.109,1386 10.701,1387 6.313,1388 8.839,1389 0.119,1390 0.062,1391 8.839,1392 4.577,1393 7.008,1394 0.078,1395 0.036,1396 7.008,1397 3.208,1398 0.251,1399 86.948,1400 0.215,1401 28.348,1402 0.393,1403 152,1404 344.671,1405 161.042,1406 340.91,1407 476.83,1408 322,1409 178,1410 357.087,1411 187.848,1412 364.406,1413 532.91,1414 345,1415 8.367}
{0 CHEMBL1082436,1 1.337,2 15.344,3 5.922,4 35.072,5 129.499,6 6.944,7 0.611,8 4.188,9 4.312,10 3.712,11 3.801,12 5.191,13 3.752,14 4.746,15 4.922,16 4.054,17 4.213,18 5.68,19 4.135,20 5.053,21 5.282,22 4.066,23 4.345,24 5.929,25 4.222,26 5.12,27 5.386,28 3.942,29 4.288,30 5.944,31 4.139,32 5.03,33 5.304,34 3.908,35 4.215,36 5.869,37 4.075,38 4.926,39 5.163,40 3.865,41 4.188,42 5.838,43 4.054,44 4.903,45 5.151,46 3.72,47 4.136,48 5.756,49 3.974,50 4.809,51 5.077,52 3.622,53 4.009,54 5.602,55 3.845,56 0.054,57 0.845,58 13.163,59 5.788,60 8.203,61 7.961,62 0.163,63 1.452,64 24.297,65 9.921,66 17.009,67 13.888,68 0.232,69 1.862,70 34.766,71 13.731,72 36.18,73 19.417,74 0.312,75 1.935,76 38.592,77 14.49,78 44.782,79 20.682,80 0.324,81 1.749,82 35.427,83 13.506,84 42.294,85 19.319,86 0.295,87 1.576,88 31.148,89 12.376,90 40.392,91 17.226,92 0.282,93 1.523,94 30.587,95 12.404,96 40.532,97 17.335,98 0.16,99 1.394,100 27.853,101 11.365,102 27.255,103 16.208,104 2,105 49,106 0.213,107 0.518,108 0.68,109 0.794,110 0.831,111 0.837,112 3.502,113 0.966,114 -5.8,115 -5.66,116 -5.28,121 45.9,123 4,124 1,127 3,144 13,145 3,148 1,154 1,159 1,163 1,176 19,180 7,183 1,185 2,187 19,192 10,197 4,200 12,206 8,211 3,214 8,218 1,219 6,224 1,227 16,232 1,235 1,237 1,239 20,243 1,244 3,249 1,251 16,256 6,261 1,264 10,269 4,274 2,277 9,281 1904,282 22.239,283 22.239,284 22.239,285 22.239,286 22.239,287 19.599,288 13.867,289 13.404,290 22.422,291 17.836,292 17.836,293 17.836,294 17.836,295 17.836,296 13.891,297 15.853,298 6.472,299 18.14,300 4.594,301 2.681,302 1.67,303 0.955,304 0.721,305 0.689,306 4.216,312 1,313 1099,314 3.162,317 81.903,318 443.207,321 145.938,325 2.49,326 19.436,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 66.5,338 491,339 4.541,340 3.605,341 6.403,342 4.062,343 3.094,344 4.475,345 1.277,346 9.988,347 3.008,348 4.121,349 3.054,350 6.059,351 3.782,352 2.779,353 3.67,354 0.916,355 8.74,356 2.778,357 3.941,358 3.017,359 5.815,360 3.682,361 2.715,362 3.457,363 0.172,364 7.898,365 2.628,366 3.881,367 2.588,368 5.615,369 3.501,370 2.504,371 3.349,373 7.777,374 2.494,375 3.597,376 2.555,377 5.328,378 3.426,379 2.426,380 2.639,382 6.937,383 2.421,384 3.227,385 2.225,386 4.955,387 3.027,388 2.072,389 2.523,391 5.867,392 1.968,393 3.164,394 1.926,395 4.449,396 2.727,397 1.743,398 2.286,400 4.383,401 1.711,402 3.023,403 1.668,404 4.402,405 2.495,406 1.528,407 2.242,409 4.329,410 1.476,411 2.869,412 1.52,413 4.137,414 2.451,415 1.446,416 1.975,418 3.627,419 1.449,420 2.802,421 1.517,422 3.592,423 2.393,424 1.389,425 1.868,427 3.038,428 1.391,429 2.513,430 1.091,431 3.485,432 2,433 1.024,434 1.514,436 2.558,437 1,438 2.5,439 1.077,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.5,448 1.03,449 3.247,450 1.996,451 1,452 1.5,454 2.136,455 0.993,456 2,457 1,458 3.247,459 1.984,460 1,461 1,463 2.136,464 0.983,465 1.912,466 1,467 3.19,468 1.615,469 0.605,470 0.718,472 1.425,473 0.607,474 15.533,475 0.485,476 0.602,477 0.019,478 41.5,479 1.297,480 21.5,481 0.672,482 20,483 0.625,484 27.403,485 0.856,486 33.067,487 0.542,488 28.869,489 0.902,490 7.903,491 0.247,492 7.84,493 0.245,494 0.021,496 0.283,501 0.734,502 1.185,503 0.843,504 1.009,505 0.561,506 0.944,507 0.881,508 1.149,509 0.992,510 1.065,511 0.601,512 1.036,513 1.044,514 1.148,515 1.045,516 1.093,517 0.907,518 1.072,519 1.234,520 1.021,521 1.024,522 0.982,523 1.187,524 0.985,525 1.008,526 0.839,527 0.867,528 0.836,529 1.02,530 0.838,531 1.246,532 0.939,533 1.062,534 1.006,535 1.54,536 1.022,537 1.11,538 0.984,539 1.109,540 1.066,541 1.466,542 1.093,543 0.697,544 1.036,545 0.939,546 1.06,547 0.735,548 1.026,549 5.5,550 0.164,551 2.889,552 1.354,553 1.423,554 0.82,555 0.499,556 0.404,557 0.23,558 0.152,559 18063,560 38022,561 2.194,562 47.5,563 3,564 19,567 1,568 2,569 4,572 1.737,573 2.133,574 3.886,575 -0.465,582 81.533,583 1.337,584 3.249,585 4.261,586 4.976,587 5.209,588 5.242,589 3.367,590 4.5,591 4.969,592 4.063,593 2015.26,594 8.649,595 31619.2,600 361.775,601 1.043,602 4.964,603 0.153,604 0.007,605 0.059,606 0.029,607 0.036,608 0.02,609 0.013,610 0.013,611 0.008,612 0.006,613 0.342,614 0.33,615 0.75,616 0.313,617 173.133,618 0.011,619 -0.071,620 0.062,621 0.007,622 0.013,623 0.033,624 0.009,625 -0.06,626 -0.05,627 -0.079,628 0.031,629 -0.071,630 -0.043,631 -0.14,632 -0.069,633 -0.113,634 0.033,635 -0.097,636 -0.069,637 -0.042,638 -0.016,639 -0.017,640 -0.032,641 -0.013,642 0.079,643 0.125,644 0.141,645 0.138,646 0.077,647 0.145,648 -0.018,649 0.032,650 -0.069,651 -0.017,652 -0.084,653 -0.042,654 -0.025,655 -0.039,656 -0.123,657 -0.069,658 -0.143,659 -0.101,660 0.068,661 -0.098,662 0.039,663 -0.063,664 0.053,665 -0.021,666 1.442,667 5.865,668 0.844,669 42.031,670 0.986,671 1.116,672 4.572,673 20.903,674 0.678,675 3.611,676 3.912,677 4.174,678 4.419,679 4.663,680 4.7,681 4.852,682 4.997,683 5.05,684 5.106,685 8.762,686 0.633,687 423.6,688 3.611,689 5.142,690 5.984,691 6.845,692 7.702,693 8.568,694 9.433,695 10.303,696 11.173,697 12.046,698 4.9,701 1,706 1,708 1,714 2,715 13,716 1,717 1,720 4,722 22,727 1,741 61,743 23,744 3,745 36,747 65,748 28,749 19,750 5,751 13,752 1,756 5,757 6,767 2,768 1,770 4,772 20,773 8,774 1,777 1,782 1,786 1,793 29,794 3,795 1,796 4,799 1,802 3,808 0.8,809 1,828 1,829 4,832 1,855 1,859 4,868 32,876 7,880 1,881 1,893 1.6,896 1,901 15,902 10.733,903 7,904 3.921,907 3.797,908 1.463,909 1.021,910 6.248,911 12.002,912 3.892,913 4.469,914 5.049,915 5.628,916 6.183,917 6.479,918 6.95,919 7.387,920 7.646,921 7.952,922 1,923 47,924 11.888,926 5.084,927 0.026,929 7.5,931 23.491,933 19.967,936 2,937 64,941 329.591,942 160.953,943 36.695,945 25.145,948 160.953,949 354.736,950 36.695,952 16.455,953 123.191,954 49.392,955 31.611,956 2.144,957 329.591,959 329.591,960 197.648,961 25.145,964 282.506,965 72.229,968 40.837,969 140.026,970 16.786,972 329.591,973 61.84,974 160.953,977 329.591,978 37.762,979 126.316,980 16.786,981 41.93,982 329.591,983 61.84,984 160.953,986 0.575,987 0.33,988 0.176,989 0.099,990 24,991 9,992 0.108,993 7,994 1,995 1.074,996 4.632,997 283.763,998 0.074,999 27,1000 148,1005 20.816,1006 9.605,1007 5.067,1008 1.815,1009 45.055,1010 26.597,1011 4.705,1012 3.356,1015 4.04,1017 16.786,1018 552.384,1019 48,1024 12.865,1028 0.225,1031 60.12,1032 68.102,1034 0.225,1035 0.548,1036 0.718,1037 0.839,1038 0.878,1039 0.884,1040 5.109,1041 1.528,1042 5.938,1043 4.383,1044 4.595,1045 5.156,1046 1.752,1047 6.696,1048 4.561,1049 6.286,1050 1.446,1051 7.456,1052 4.329,1053 4.007,1054 4.783,1055 0.325,1056 7.445,1057 3.956,1058 7.568,1059 1.389,1060 9.072,1061 3.627,1062 6.138,1063 7.318,1064 1.986,1065 10.529,1066 6.067,1067 8.883,1068 1.024,1069 10.745,1070 3.038,1071 6.399,1072 7.841,1073 0.393,1074 12.123,1075 6.307,1076 10.234,1077 1,1078 12.457,1079 2.558,1080 7.946,1081 9.802,1082 2.341,1083 14.681,1084 7.837,1085 11.608,1086 1,1087 14.194,1088 2.275,1089 8.613,1090 10.781,1091 0.384,1092 16.634,1093 8.479,1094 13.004,1095 1,1096 15.949,1097 2.136,1098 9.903,1099 12.483,1100 2.756,1101 19.004,1102 9.752,1103 3.094,1104 0.605,1105 17.719,1106 2.136,1107 10.779,1108 13.706,1109 0.351,1110 21.124,1111 10.599,1112 2.779,1113 9.988,1114 19.498,1115 1.425,1116 11.953,1117 15.287,1118 3.203,1119 23.427,1120 11.754,1121 2.715,1122 8.74,1123 21.286,1124 4.475,1125 12.937,1126 16.641,1127 0.312,1128 25.628,1129 12.707,1130 2.504,1131 7.898,1132 23.081,1133 3.67,1134 14.062,1135 18.167,1136 3.667,1137 27.909,1138 13.809,1139 2.426,1140 7.777,1141 24.882,1142 3.457,1143 15.102,1144 19.589,1145 0.273,1146 30.151,1147 14.819,1148 2.072,1149 6.937,1150 26.687,1151 3.349,1152 16.209,1153 21.093,1154 4.143,1155 32.43,1156 15.9,1157 1.743,1158 5.867,1159 28.497,1160 2.639,1161 17.28,1162 22.55,1163 0.236,1164 34.694,1165 16.94,1166 16457,1167 24046,1168 25.137,1169 41.37,1170 54.001,1171 54.688,1172 53.799,1173 53.464,1174 53.46,1175 70.537,1176 4.733,1177 148.316,1178 52.596,1179 5.541,1180 5.605,1181 6.205,1182 5.097,1183 5.094,1184 7.475,1185 2.555,1186 16.618,1187 5.008,1188 7.305,1189 1.5,1190 1.519,1191 1.494,1192 1.485,1193 1.485,1194 1.959,1195 0.131,1196 4.12,1197 1.461,1198 4.136,1199 4.174,1200 4.102,1201 4.029,1202 7.427,1203 4.041,1204 3.955,1205 4.004,1206 3.867,1207 3.867,1208 5.071,1209 3.862,1210 3.858,1211 3.89,1212 3.787,1213 3.8,1214 4.756,1215 3.793,1216 3.82,1217 3.861,1218 3.712,1219 3.724,1220 4.703,1221 3.714,1222 3.581,1223 3.627,1224 3.501,1225 3.411,1226 4.323,1227 3.426,1228 3.324,1229 3.39,1230 3.203,1231 3.162,1232 4.242,1233 3.166,1234 3.142,1235 3.209,1236 3.01,1237 2.997,1238 3.899,1239 2.989,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.831,1245 2.91,1246 0.126,1247 0.1,1248 0.178,1249 0.113,1250 0.086,1251 4.541,1252 0.124,1253 3.605,1254 0.035,1255 6.403,1256 0.277,1257 4.062,1258 0.084,1259 3.094,1260 4.475,1261 1.277,1262 9.988,1263 3.008,1264 1.954,1265 1.927,1266 2.106,1267 2.075,1268 1.485,1269 2.088,1270 1.926,1271 1.893,1272 2.033,1273 2.029,1274 1.184,1275 2.03,1276 1.904,1277 1.876,1278 2.02,1279 1.989,1280 1.133,1281 1.999,1282 1.83,1283 1.782,1284 1.99,1285 1.944,1286 1.087,1287 1.965,1288 1.496,1289 1.442,1290 1.725,1291 1.698,1292 0.983,1293 1.708,1294 1.319,1295 1.256,1296 1.513,1297 1.556,1298 0.825,1299 1.535,1300 1.194,1301 1.137,1302 1.472,1303 1.399,1304 0.687,1305 1.429,1306 1.153,1307 1.064,1308 1.427,1309 1.376,1310 0.485,1311 1.414,1312 4.29,1314 5.595,1315 2.398,1316 7.091,1317 4.727,1318 8.666,1319 6.843,1320 10.282,1328 7.222,1332 0.643,1333 2.531,1340 38.627,1341 81.533,1342 198.205,1343 259.895,1344 303.51,1345 317.775,1346 319.775,1347 47.807,1348 8.205,1349 48.99,1350 48.99,1351 29,1352 12.588,1353 4.585,1354 3.7,1355 46.174,1356 169,1357 164,1358 0.129,1359 234.567,1360 400.31,1361 564.103,1362 51127,1364 21.753,1365 0.68,1366 0.573,1367 21.753,1368 18.335,1369 15.742,1370 0.437,1371 0.322,1372 11.514,1373 15.452,1374 11.263,1375 9.319,1376 15.742,1377 11.591,1378 13.904,1379 0.284,1380 0.181,1381 13.904,1382 8.85,1383 11.901,1384 0.186,1385 0.103,1386 11.901,1387 6.588,1388 9.728,1389 0.119,1390 0.057,1391 9.728,1392 4.666,1393 8.15,1394 0.078,1395 0.033,1396 8.15,1397 3.438,1398 0.212,1399 96.46,1400 0.199,1401 30.899,1402 0.329,1403 170,1404 389.359,1405 178.348,1406 390.043,1407 546.02,1408 368,1409 198,1410 407.819,1411 207.348,1412 419.351,1413 611.5,1414 397,1415 7.481}
{0 CHEMBL1082738,1 1.253,2 15.706,3 7.456,4 55.593,5 143.349,6 6.467,7 0.579,8 4.311,9 4.449,10 3.77,11 3.9,12 5.235,13 3.838,14 4.885,15 5.081,16 4.084,17 4.312,18 5.725,19 4.21,20 5.202,21 5.468,22 4.164,23 4.445,24 5.955,25 4.313,26 5.187,27 5.451,28 4.079,29 4.411,30 5.947,31 4.266,32 5.184,33 5.45,34 3.96,35 4.407,36 5.885,37 4.238,38 5.208,39 5.489,40 3.814,41 4.385,42 5.844,43 4.179,44 5.188,45 5.492,46 3.675,47 4.299,48 5.776,49 4.071,50 5.071,51 5.382,52 3.558,53 4.163,54 5.65,55 3.937,56 0.083,57 1.003,58 16.409,59 6.81,60 11.018,61 9.794,62 0.168,63 1.683,64 29.604,65 11.779,66 20.553,67 17.201,68 0.275,69 2.16,70 41.287,71 15.374,72 32.338,73 22.966,74 0.354,75 2.142,76 40.892,77 14.836,78 35.64,79 22.203,80 0.284,81 2.086,82 40.494,83 15.4,84 29.953,85 22.817,86 0.252,87 2.057,88 41.225,89 16.59,90 27.771,91 24.262,92 0.237,93 1.951,94 40.441,95 16.401,96 26.977,97 23.995,98 0.22,99 1.725,100 36.034,101 14.379,102 24.291,103 21.135,105 50,106 0.196,107 0.484,108 0.639,109 0.774,110 0.827,111 0.858,112 3.56,113 1.036,114 -5.45,115 -5.33,116 -4.98,121 42.9,123 10,127 2,144 9,145 3,146 2,147 1,148 3,176 17,180 7,185 6,187 18,192 6,197 5,200 12,206 3,209 2,211 8,214 14,224 5,227 17,232 2,237 2,239 19,244 2,249 2,251 18,256 2,264 16,269 2,273 1,277 16,281 2116,282 24.07,283 24.07,284 24.07,285 24.07,286 24.07,287 21.496,288 19.688,289 15.013,290 24.308,291 18.868,292 18.868,293 18.868,294 18.868,295 18.868,296 14.964,297 24.908,298 7.198,299 19.257,300 4.876,301 3.026,302 2.036,303 1.171,304 0.829,305 0.629,306 4.279,312 1,313 1197,314 3.742,318 451.233,322 457.777,325 2.263,326 13.671,329 0.75,330 0.67,331 0.83,332 0.8,333 0.5,334 0.83,335 0.5,336 0.7,337 70,338 534,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.4,346 11.348,347 3.162,348 4.493,349 3.076,350 6.505,351 4.01,352 3.03,353 4.43,354 0.4,355 10.194,356 2.969,357 3.914,358 2.669,359 5.982,360 3.524,361 2.532,362 3.437,364 8.37,365 2.512,366 3.522,367 2.356,368 5.381,369 3.136,370 2.182,371 2.908,373 6.711,374 2.08,375 3.514,376 2.267,377 5.203,378 3.106,379 2.144,380 2.893,382 6.251,383 2.062,384 3.118,385 1.917,386 4.179,387 2.884,388 1.888,389 2.427,391 3.885,392 1.879,393 2.942,394 1.747,395 4.116,396 2.621,397 1.637,398 2.142,400 3.787,401 1.61,402 2.91,403 1.618,404 3.985,405 2.585,406 1.618,407 1.926,409 3.467,410 1.562,411 2.774,412 1.578,413 3.868,414 2.51,415 1.52,416 1.898,418 3.329,419 1.504,420 2.694,421 1.455,422 3.679,423 2.345,424 1.347,425 1.716,427 3.213,428 1.343,429 2.585,430 1.388,431 3.596,432 2.291,433 1.311,434 1.606,436 2.902,437 1.284,438 2.489,439 1.35,440 3.594,441 2.242,442 1.255,443 1.488,445 2.871,446 1.24,447 2.421,448 1.269,449 3.532,450 2.237,451 1.247,452 1.405,454 2.714,455 1.23,456 2.241,457 1.105,458 3.362,459 1.97,460 1,461 1.202,463 2.261,464 0.967,465 1.985,466 0.877,467 3.177,468 1.796,469 0.815,470 0.938,472 1.855,473 0.798,474 16.6,475 0.488,476 0.445,477 0.013,478 42,479 1.235,480 21,481 0.618,482 21,483 0.618,484 32.965,485 0.97,486 36.2,487 0.517,488 26.864,489 0.79,490 7.34,491 0.216,492 9.559,493 0.281,496 0.241,501 0.997,502 1.219,503 0.941,504 1.06,505 0.817,506 1.008,507 1.058,508 1.256,509 1.044,510 1.14,511 0.863,512 1.1,513 1.101,514 1.042,515 0.88,516 0.91,517 0.859,518 0.885,519 1.316,520 1.009,521 1.049,522 0.975,523 1.082,524 0.99,525 1.282,526 1.006,527 1.137,528 1.046,529 1.159,530 1.075,531 0.933,532 1.009,533 1.121,534 1.107,535 1.014,536 1.123,537 0.741,538 0.946,539 1.007,540 1.033,541 0.875,542 1.038,543 0.777,544 0.893,545 0.954,546 0.962,547 0.862,548 0.969,549 3,550 0.087,551 2.889,552 1.75,553 1.516,554 0.507,555 0.34,556 0.186,557 0.139,558 0.108,559 22664,560 43664,561 2.2,562 51.4,563 14,564 13,566 1,567 2,568 2,569 4,572 1.749,573 2.17,574 3.815,575 0.06,582 87.726,583 1.253,584 3.104,585 4.093,586 4.958,587 5.301,588 5.501,589 3.076,590 4.359,591 5.068,592 4.104,593 2302.3,594 8.817,595 40355.9,600 429.05,601 0.787,602 5.063,603 0.079,604 0.004,605 0.058,606 0.033,607 0.032,608 0.012,609 0.01,610 0.006,611 0.005,612 0.004,613 0.244,614 0.33,615 0.63,617 189.79,618 0.015,619 -0.039,620 0.062,621 0.024,622 0.139,623 0.042,624 -0.012,625 -0.156,626 -0.046,627 -0.105,628 0.101,629 -0.082,630 0.051,631 -0.027,632 0.121,633 0.066,634 0.173,635 0.092,636 0.006,637 0.031,638 -0.038,639 -0.015,640 0.023,641 -0.027,642 -0.182,643 0.004,644 -0.144,645 -0.067,646 -0.197,647 -0.097,648 -0.116,649 -0.055,650 -0.15,651 -0.113,652 -0.181,653 -0.13,654 -0.022,655 -0.038,656 -0.045,657 -0.046,658 -0.08,659 -0.047,660 -0.007,661 0.011,662 0.012,663 0.015,664 -0.047,665 0.015,666 0.61,667 1.956,668 0.706,669 37.896,670 0.979,671 1.123,672 4.221,673 17.814,674 0.66,675 3.664,676 3.932,677 4.234,678 4.522,679 4.779,680 4.796,681 4.898,682 4.97,683 5.011,684 4.82,685 9.695,686 0.607,687 452.7,688 3.664,689 5.176,690 6.023,691 6.887,692 7.755,693 8.631,694 9.509,695 10.392,696 11.276,697 12.163,698 5.7,703 2,708 2,714 4,715 10,716 2,720 4,722 22,734 2,741 70,743 22,744 2,745 38,747 74,748 30,749 18,750 4,751 8,756 5,757 9,767 4,770 10,772 18,773 12,793 36,794 4,795 2,796 4,802 4,808 0.4,822 2,829 5,833 3,859 2,868 34,876 12,877 2,901 15.667,902 12.233,903 7.667,904 4.911,907 4.438,908 1.535,909 1.017,910 7.803,911 12.74,912 3.912,913 4.5,914 5.147,915 5.78,916 6.381,917 6.649,918 7.011,919 7.335,920 7.627,921 7.292,922 0.9,923 53,924 12.625,926 5.277,927 0.026,929 7.333,931 25.485,933 21.533,936 1.833,937 62.333,941 400.217,942 144.78,943 69.593,948 144.78,949 400.217,950 69.593,952 29.557,953 85.286,954 81.364,955 29.937,957 388.446,959 400.217,960 214.373,964 353.133,965 47.084,968 45.649,969 99.131,970 69.593,972 400.217,973 69.593,974 144.78,977 400.217,978 50.447,979 94.334,980 36.022,981 33.571,982 400.217,983 69.593,984 144.78,986 0.557,987 0.33,988 0.194,989 0.11,990 23,991 8,992 0.149,993 11,994 3,995 1.25,996 4.849,997 300.893,998 0.25,999 24,1000 172.974,1005 22.961,1006 11.555,1007 5.654,1008 4.693,1009 69.593,1010 20.924,1011 9.398,1015 5.345,1017 36.022,1018 614.59,1019 49,1031 68.545,1032 78.636,1034 0.204,1035 0.506,1036 0.668,1037 0.809,1038 0.865,1039 0.897,1040 5.115,1041 1.618,1042 5.953,1043 3.787,1044 4.615,1045 5.187,1046 0.495,1047 6.737,1048 4.573,1049 6.283,1050 1.52,1051 7.478,1052 3.467,1053 3.892,1054 4.913,1056 7.609,1057 3.829,1058 7.573,1059 1.347,1060 9.119,1061 3.329,1062 6.151,1063 7.446,1064 0.097,1065 10.786,1066 6.068,1067 8.911,1068 1.311,1069 10.836,1070 3.213,1071 6.399,1072 8.141,1074 12.596,1075 6.294,1076 10.295,1077 1.255,1078 12.605,1079 2.902,1080 8.01,1081 10.073,1082 0.016,1083 15.254,1084 7.889,1085 11.71,1086 1.247,1087 14.409,1088 2.871,1089 8.744,1090 11.212,1092 17.416,1093 8.601,1094 13.151,1095 1,1096 16.237,1097 2.714,1098 10.077,1099 12.897,1100 0.003,1101 19.907,1102 9.917,1103 3.226,1104 0.815,1105 18.082,1106 2.261,1107 11.042,1108 14.238,1110 22.209,1111 10.862,1112 3.03,1113 11.348,1114 19.94,1115 1.855,1116 12.261,1117 15.819,1119 24.644,1120 12.062,1121 2.532,1122 10.194,1123 21.806,1124 4.564,1125 13.331,1126 17.251,1128 27.005,1129 13.111,1130 2.182,1131 8.37,1132 23.68,1133 4.43,1134 14.505,1135 18.788,1137 29.422,1138 14.266,1139 2.144,1140 6.711,1141 25.559,1142 3.437,1143 15.622,1144 20.261,1146 31.81,1147 15.361,1148 1.888,1149 6.251,1150 27.442,1151 2.908,1152 16.781,1153 21.78,1155 34.223,1156 16.501,1157 1.637,1158 3.885,1159 29.329,1160 2.893,1161 17.918,1162 23.272,1164 36.625,1165 17.617,1166 20582,1167 28726,1168 26.811,1169 46.205,1170 54.935,1171 55.37,1172 55.962,1173 55.111,1174 55.1,1175 71.763,1176 1.6,1177 149.84,1178 53.949,1179 5.605,1180 5.361,1181 6.753,1182 5.247,1183 5.226,1184 7.564,1185 0.8,1186 18.879,1187 5.162,1189 1.446,1190 1.457,1191 1.473,1192 1.45,1193 1.45,1194 1.889,1195 0.042,1196 3.943,1197 1.42,1198 4.121,1199 4.153,1200 4.079,1201 4.047,1202 5.008,1203 4.051,1204 4.061,1205 4.091,1206 4.021,1207 3.988,1208 4.965,1209 3.993,1210 3.782,1211 3.847,1212 3.628,1213 3.663,1214 4.413,1215 3.646,1216 3.732,1217 3.781,1218 3.609,1219 3.646,1220 4.404,1221 3.63,1222 3.608,1223 3.683,1224 3.456,1225 3.456,1226 4.282,1227 3.445,1228 3.463,1229 3.524,1230 3.345,1231 3.348,1232 4.23,1233 3.34,1234 3.345,1235 3.42,1236 3.199,1237 3.191,1238 4.054,1239 3.183,1240 3.213,1241 3.283,1242 3.07,1243 3.06,1244 3.974,1245 3.049,1246 0.122,1247 0.088,1248 0.18,1249 0.111,1250 0.085,1251 4.64,1252 0.12,1253 3.361,1254 0.011,1255 6.829,1256 0.299,1257 4.207,1258 0.083,1259 3.226,1260 4.564,1261 0.4,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.438,1269 2.163,1270 2.033,1271 2.008,1272 2.114,1273 2.126,1274 1.403,1275 2.125,1276 1.793,1277 1.731,1278 2.038,1279 1.952,1280 1.241,1281 1.985,1282 1.754,1283 1.709,1284 1.949,1285 1.872,1286 1.187,1287 1.902,1288 1.614,1289 1.544,1290 1.876,1291 1.807,1292 1.138,1293 1.834,1294 1.463,1295 1.411,1296 1.673,1297 1.632,1298 0.917,1299 1.651,1300 1.342,1301 1.272,1302 1.592,1303 1.537,1304 0.756,1305 1.56,1306 1.216,1307 1.149,1308 1.468,1309 1.397,1310 0.675,1311 1.422,1312 4.344,1314 5.624,1316 7.124,1318 8.738,1320 10.418,1328 14.567,1329 7.406,1340 42.514,1341 87.726,1342 217.262,1343 286.52,1344 347.05,1345 371.05,1346 385.05,1347 46.164,1348 8.302,1349 49.84,1350 49.84,1351 30,1352 12.695,1353 4.524,1354 3.585,1355 50.723,1356 207,1357 156,1358 0.115,1359 259.477,1360 439.76,1361 624.884,1362 68218,1364 23.004,1365 0.677,1366 0.593,1367 23.004,1368 20.153,1369 16.899,1370 0.445,1371 0.345,1372 13.048,1373 16.63,1374 12.8,1375 10.645,1376 16.899,1377 13.12,1378 14.121,1379 0.282,1380 0.19,1381 14.121,1382 9.487,1383 12.227,1384 0.18,1385 0.104,1386 12.227,1387 7.039,1388 10.597,1389 0.116,1390 0.057,1391 10.597,1392 5.218,1393 9.016,1394 0.076,1395 0.033,1396 9.016,1397 3.848,1398 0.194,1399 103.164,1400 0.193,1401 32.749,1402 0.284,1403 176,1404 359.956,1405 183.216,1406 364.739,1407 526.46,1408 348,1409 206,1410 406.662,1411 213.993,1412 416.607,1413 613.54,1414 398,1415 8.056}
{0 CHEMBL1082739,1 1.245,2 16.514,3 7.912,4 62.604,5 147.95,6 6.394,7 0.564,8 4.349,9 4.488,10 3.797,11 3.935,12 5.262,13 3.87,14 4.927,15 5.126,16 4.106,17 4.347,18 5.755,19 4.241,20 5.247,21 5.516,22 4.185,23 4.481,24 5.987,25 4.344,26 5.232,27 5.5,28 4.102,29 4.448,30 5.978,31 4.299,32 5.229,33 5.499,34 3.985,35 4.444,36 5.919,37 4.271,38 5.252,39 5.536,40 3.844,41 4.423,42 5.879,43 4.214,44 5.234,45 5.539,46 3.709,47 4.341,48 5.813,49 4.11,50 5.122,51 5.434,52 3.596,53 4.21,54 5.692,55 3.982,56 0.087,57 1.043,58 17.267,59 7.163,60 11.459,61 10.329,62 0.175,63 1.75,64 31.082,65 12.378,66 21.303,67 18.116,68 0.285,69 2.242,70 43.168,71 16.126,72 33.267,73 24.129,74 0.364,75 2.223,76 42.784,77 15.599,78 36.49,79 23.38,80 0.292,81 2.167,82 42.353,83 16.167,84 30.665,85 23.987,86 0.26,87 2.137,88 42.997,89 17.34,90 28.384,91 25.381,92 0.244,93 2.03,94 42.112,95 17.123,96 27.477,97 25.058,98 0.227,99 1.804,100 37.701,101 15.101,102 24.783,103 22.197,105 51,106 0.193,107 0.474,108 0.625,109 0.759,110 0.819,111 0.861,112 3.587,113 1.048,114 -5.64,115 -5.51,116 -5.14,121 42.5,123 11,127 2,144 9,145 3,146 2,147 1,148 3,176 18,180 7,185 6,187 19,192 6,197 5,200 13,206 3,209 2,211 8,214 15,224 5,227 18,232 2,237 2,239 20,244 2,249 2,251 18,256 2,261 2,264 16,269 2,277 16,281 2340,282 24.777,283 24.777,284 24.777,285 24.777,286 24.777,287 22.203,288 19.688,289 15.513,290 25.015,291 19.368,292 19.368,293 19.368,294 19.368,295 19.368,296 15.464,297 24.908,298 7.448,299 19.757,300 4.945,301 3.13,302 2.153,303 1.287,304 0.897,305 0.63,306 4.306,312 1,313 1293,314 3.873,318 476.668,322 483.445,325 2.439,326 13.737,329 0.75,330 0.67,331 0.83,332 0.8,333 0.5,334 0.83,335 0.5,336 0.7,337 72,338 578,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.4,346 11.348,347 3.162,348 4.493,349 3.076,350 6.505,351 4.01,352 3.03,353 4.43,354 0.4,355 10.194,356 2.969,357 3.914,358 2.669,359 5.982,360 3.524,361 2.532,362 3.437,364 8.37,365 2.512,366 3.522,367 2.356,368 5.381,369 3.136,370 2.182,371 2.908,373 6.711,374 2.08,375 3.514,376 2.267,377 5.203,378 3.107,379 2.144,380 2.893,382 6.251,383 2.063,384 3.118,385 1.929,386 4.179,387 2.903,388 1.907,389 2.427,391 3.896,392 1.9,393 2.944,394 1.775,395 4.116,396 2.676,397 1.688,398 2.142,400 3.803,401 1.667,402 2.922,403 1.618,404 3.987,405 2.586,406 1.618,407 1.935,409 3.523,410 1.562,411 2.777,412 1.607,413 3.886,414 2.514,415 1.526,416 1.902,418 3.329,419 1.507,420 2.729,421 1.475,422 3.71,423 2.362,424 1.384,425 1.749,427 3.263,428 1.352,429 2.598,430 1.422,431 3.603,432 2.345,433 1.347,434 1.625,436 2.931,437 1.343,438 2.492,439 1.35,440 3.594,441 2.26,442 1.269,443 1.492,445 2.902,446 1.257,447 2.46,448 1.277,449 3.557,450 2.242,451 1.247,452 1.454,454 2.79,455 1.24,456 2.303,457 1.186,458 3.404,459 2.045,460 1.077,461 1.266,463 2.387,464 1.04,465 2.062,466 0.945,467 3.242,468 1.859,469 0.88,470 1.025,472 2.003,473 0.86,474 17.1,475 0.489,476 0.445,477 0.013,478 42.5,479 1.214,480 21,481 0.6,482 21.5,483 0.614,484 34.862,485 0.996,486 37.5,487 0.514,488 27.038,489 0.773,490 7.34,491 0.21,492 10.059,493 0.287,496 0.234,501 1,502 1.228,503 0.956,504 1.074,505 0.818,506 1.023,507 1.058,508 1.263,509 1.056,510 1.152,511 0.86,512 1.112,513 1.091,514 1.038,515 0.88,516 0.912,517 0.849,518 0.887,519 1.301,520 1.006,521 1.042,522 0.973,523 1.067,524 0.987,525 1.268,526 1.004,527 1.127,528 1.041,529 1.142,530 1.069,531 0.927,532 1.007,533 1.111,534 1.099,535 1.002,536 1.114,537 0.739,538 0.947,539 1.002,540 1.029,541 0.866,542 1.033,543 0.771,544 0.895,545 0.951,546 0.961,547 0.849,548 0.967,549 3,550 0.087,551 2.889,552 1.75,553 1.516,554 0.507,555 0.34,556 0.186,557 0.139,558 0.108,559 25109,560 47805,561 2.194,562 52.1,563 16,564 13,566 1,567 2,568 2,569 4,572 1.755,573 2.165,574 3.881,575 0.049,582 90.856,583 1.245,584 3.06,585 4.036,586 4.903,587 5.292,588 5.56,589 3.175,590 4.501,591 5.11,592 4.18,593 2487.21,594 8.896,595 45279.4,600 451.857,601 0.776,602 5.105,603 0.077,604 0.003,605 0.057,606 0.032,607 0.032,608 0.012,609 0.01,610 0.006,611 0.005,612 0.004,613 0.238,614 0.33,615 0.5,617 198.077,618 0.019,619 -0.038,620 0.061,621 0.024,622 0.147,623 0.042,624 -0.009,625 -0.159,626 -0.05,627 -0.109,628 0.107,629 -0.087,630 0.057,631 -0.025,632 0.121,633 0.066,634 0.18,635 0.092,636 0.015,637 0.03,638 -0.03,639 -0.011,640 0.036,641 -0.021,642 -0.172,643 0.005,644 -0.132,645 -0.06,646 -0.181,647 -0.088,648 -0.11,649 -0.052,650 -0.141,651 -0.105,652 -0.171,653 -0.122,654 -0.021,655 -0.037,656 -0.042,657 -0.044,658 -0.075,659 -0.045,660 -0.005,661 0.01,662 0.012,663 0.014,664 -0.042,665 0.014,666 0.607,667 1.959,668 0.686,669 40.816,670 0.978,671 1.124,672 4.411,673 19.456,674 0.657,675 3.689,676 3.951,677 4.248,678 4.533,679 4.787,680 4.804,681 4.905,682 4.977,683 5.017,684 4.828,685 10.194,686 0.603,687 466.73,688 3.689,689 5.198,690 6.043,691 6.903,692 7.769,693 8.642,694 9.519,695 10.4,696 11.282,697 12.168,698 5.5,703 2,708 2,714 4,715 10,716 2,720 4,722 22,734 2,741 73,743 22,744 2,745 39,747 77,748 31,749 18,750 4,751 8,756 5,757 9,767 4,770 11,772 18,773 13,793 38,794 4,795 2,796 4,802 4,808 0.4,822 2,829 5,833 3,859 2,868 35,876 13,877 2,901 16.167,902 12.733,903 7.917,904 5.161,907 4.414,908 1.53,909 1.012,910 8.366,911 12.743,912 3.932,913 4.511,914 5.153,915 5.783,916 6.382,917 6.65,918 7.012,919 7.336,920 7.628,921 7.293,922 1,923 54,924 13.003,926 5.42,927 0.026,929 7.324,931 26.302,933 22.199,936 1.824,937 63.833,941 423.76,942 147.315,943 69.593,948 147.315,949 423.76,950 69.593,952 32.091,953 85.286,954 81.364,955 29.937,957 411.989,959 423.76,960 216.907,964 376.675,965 47.084,968 48.184,969 99.131,970 69.593,972 423.76,973 69.593,974 147.315,977 423.76,978 52.981,979 94.334,980 36.022,981 33.571,982 423.76,983 69.593,984 147.315,986 0.556,987 0.328,988 0.192,989 0.109,990 23,991 8,992 0.156,993 12,994 3,995 1.25,996 4.967,997 309.382,998 0.25,999 24,1000 179.525,1005 23.914,1006 12.245,1007 6.068,1008 4.705,1009 69.593,1010 20.947,1011 9.402,1015 5.36,1017 36.022,1018 640.667,1019 50,1031 71.428,1032 82.052,1034 0.201,1035 0.494,1036 0.652,1037 0.792,1038 0.855,1039 0.898,1040 5.133,1041 1.618,1042 5.969,1043 3.803,1044 4.635,1045 5.198,1046 0.495,1047 6.746,1048 4.594,1049 6.296,1050 1.526,1051 7.489,1052 3.523,1053 3.892,1054 4.913,1056 7.609,1057 3.829,1058 7.582,1059 1.384,1060 9.126,1061 3.329,1062 6.163,1063 7.45,1064 0.097,1065 10.788,1066 6.082,1067 8.918,1068 1.347,1069 10.841,1070 3.263,1071 6.399,1072 8.141,1074 12.596,1075 6.294,1076 10.299,1077 1.269,1078 12.608,1079 2.931,1080 8.017,1081 10.074,1082 0.016,1083 15.255,1084 7.896,1085 11.714,1086 1.247,1087 14.411,1088 2.902,1089 8.744,1090 11.212,1092 17.416,1093 8.601,1094 13.153,1095 1.077,1096 16.238,1097 2.79,1098 10.08,1099 12.897,1100 0.003,1101 19.907,1102 9.921,1103 3.226,1104 0.88,1105 18.083,1106 2.387,1107 11.042,1108 14.238,1110 22.209,1111 10.862,1112 3.03,1113 11.348,1114 19.94,1115 2.003,1116 12.262,1117 15.819,1119 24.644,1120 12.063,1121 2.532,1122 10.194,1123 21.806,1124 4.564,1125 13.331,1126 17.251,1128 27.005,1129 13.111,1130 2.182,1131 8.37,1132 23.68,1133 4.43,1134 14.506,1135 18.788,1137 29.422,1138 14.267,1139 2.144,1140 6.711,1141 25.559,1142 3.437,1143 15.622,1144 20.261,1146 31.81,1147 15.361,1148 1.907,1149 6.251,1150 27.442,1151 2.908,1152 16.781,1153 21.78,1155 34.223,1156 16.501,1157 1.688,1158 3.896,1159 29.329,1160 2.893,1161 17.918,1162 23.272,1164 36.625,1165 17.617,1166 22827,1167 31665,1168 27.504,1169 47.967,1170 56.154,1171 56.656,1172 57.192,1173 56.379,1174 56.382,1175 73.047,1176 1.6,1177 152.41,1178 55.231,1179 5.609,1180 5.361,1181 6.765,1182 5.247,1183 5.226,1184 7.564,1185 0.8,1186 18.879,1187 5.162,1189 1.44,1190 1.453,1191 1.466,1192 1.446,1193 1.446,1194 1.873,1195 0.041,1196 3.908,1197 1.416,1198 4.121,1199 4.153,1200 4.079,1201 4.047,1202 5.008,1203 4.051,1204 4.061,1205 4.091,1206 4.021,1207 3.989,1208 4.965,1209 3.993,1210 3.793,1211 3.858,1212 3.635,1213 3.675,1214 4.413,1215 3.656,1216 3.732,1217 3.781,1218 3.613,1219 3.648,1220 4.404,1221 3.633,1222 3.639,1223 3.712,1224 3.481,1225 3.492,1226 4.282,1227 3.478,1228 3.484,1229 3.55,1230 3.363,1231 3.362,1232 4.236,1233 3.356,1234 3.386,1235 3.455,1236 3.237,1237 3.231,1238 4.084,1239 3.222,1240 3.248,1241 3.318,1242 3.101,1243 3.113,1244 3.977,1245 3.099,1246 0.119,1247 0.086,1248 0.175,1249 0.108,1250 0.083,1251 4.64,1252 0.117,1253 3.361,1254 0.01,1255 6.829,1256 0.291,1257 4.207,1258 0.081,1259 3.226,1260 4.564,1261 0.4,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.438,1269 2.163,1270 2.033,1271 2.008,1272 2.114,1273 2.126,1274 1.414,1275 2.125,1276 1.804,1277 1.743,1278 2.049,1279 1.961,1280 1.266,1281 1.995,1282 1.754,1283 1.709,1284 1.949,1285 1.873,1286 1.204,1287 1.902,1288 1.65,1289 1.581,1290 1.91,1291 1.835,1292 1.144,1293 1.864,1294 1.481,1295 1.426,1296 1.72,1297 1.668,1298 0.996,1299 1.69,1300 1.388,1301 1.319,1302 1.615,1303 1.563,1304 0.764,1305 1.586,1306 1.252,1307 1.191,1308 1.496,1309 1.437,1310 0.728,1311 1.462,1312 4.369,1314 5.645,1316 7.14,1318 8.749,1320 10.426,1328 16.006,1329 7.414,1340 44.041,1341 90.856,1342 223.368,1343 294.66,1344 357.883,1345 386.347,1346 405.857,1347 48.798,1348 8.33,1349 49.84,1350 49.84,1351 30,1352 12.701,1353 4.524,1354 3.585,1355 53.015,1356 224,1357 168,1358 0.111,1359 269.069,1360 457.06,1361 648.289,1362 72321,1364 23.711,1365 0.677,1366 0.596,1367 23.711,1368 20.86,1369 17.399,1370 0.446,1371 0.349,1372 13.548,1373 17.13,1374 13.29,1375 11.061,1376 17.399,1377 13.62,1378 14.475,1379 0.284,1380 0.193,1381 14.475,1382 9.84,1383 12.477,1384 0.181,1385 0.106,1386 12.477,1387 7.289,1388 10.774,1389 0.117,1390 0.059,1391 10.774,1392 5.395,1393 9.141,1394 0.077,1395 0.033,1396 9.141,1397 3.973,1398 0.187,1399 106.164,1400 0.191,1401 33.69,1402 0.27,1403 180,1404 363.956,1405 187.216,1406 368.901,1407 532.22,1408 352,1409 210,1410 410.662,1411 217.993,1412 420.768,1413 619.3,1414 402,1415 7.42}
{0 CHEMBL1082746,1 1.629,2 10.76,3 2.19,4 4.797,5 92.028,6 7.714,7 0.593,8 3.894,9 4.014,10 3.485,11 3.368,12 5.071,13 3.378,14 4.391,15 4.565,16 3.852,17 3.727,18 5.609,19 3.721,20 4.567,21 4.74,22 3.875,23 3.859,24 5.714,25 3.841,26 4.641,27 4.827,28 3.849,29 3.907,30 5.766,31 3.858,32 4.665,33 4.88,34 3.77,35 3.907,36 5.759,37 3.83,38 4.655,39 4.884,40 3.624,41 3.837,42 5.708,43 3.726,44 4.548,45 4.814,46 3.401,47 3.641,48 5.48,49 3.511,50 4.293,51 4.526,52 3.271,53 3.37,54 5.402,55 3.288,56 0.069,57 0.667,58 8.505,59 3.531,60 6.675,61 4.603,62 0.446,63 1.013,64 16.283,65 5.656,66 31.186,67 7.764,68 0.373,69 1.154,70 19.904,71 6.745,72 40.615,73 8.796,74 0.439,75 1.23,76 21.669,77 7.54,78 37.133,79 10.036,80 0.332,81 1.232,82 22.755,83 8.108,84 36.621,85 11.248,86 0.407,87 1.152,88 23.405,89 8.494,90 43.273,91 11.886,92 0.338,93 0.976,94 22.426,95 7.766,96 34.557,97 11.273,98 0.352,99 0.74,100 17.168,101 5.701,102 37.662,103 7.781,104 35,105 38,106 0.281,107 0.634,108 0.768,109 0.853,110 0.853,111 0.853,112 3.267,113 0.875,114 -2.98,115 -2.98,116 -2.87,121 40.9,122 1,126 2,144 7,145 1,146 1,148 1,153 1,155 1,160 1,161 1,163 1,176 6,179 1,180 5,182 1,183 4,185 2,187 5,189 2,192 4,197 1,200 2,203 3,205 1,206 7,211 3,213 1,214 2,216 3,219 5,224 3,227 5,232 2,234 2,237 3,239 7,241 1,243 1,244 1,249 2,251 5,256 3,258 1,263 1,264 2,268 1,269 4,272 2,277 2,281 929,282 16.662,283 16.662,284 16.662,285 16.662,286 16.662,287 14.438,288 16.754,289 9.737,290 17.067,291 13.254,292 13.254,293 13.254,294 13.254,295 13.254,296 9.817,297 18.342,298 4.553,299 13.88,300 3.83,301 1.777,302 0.998,303 0.506,304 0.506,305 0.506,306 3.945,310 1,311 1,312 1,313 563,314 3.536,317 53.107,318 148.301,321 104.72,325 1.77,326 21.194,328 1,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 55,338 269,339 4.709,340 3.659,341 6.886,342 4.214,343 3.279,344 4.673,345 2.186,346 11.486,347 3.072,348 4.143,349 3.546,350 6.206,351 3.728,352 2.766,353 3.757,354 1.907,355 9.129,356 2.656,357 3.882,358 3.287,359 5.599,360 3.496,361 2.562,362 3.309,363 0.366,364 7.449,365 2.385,366 3.655,367 2.778,368 5.44,369 3.276,370 2.306,371 2.952,372 0.149,373 6.985,374 2.221,375 3.446,376 2.57,377 4.82,378 3.027,379 2.04,380 2.661,382 5.319,383 1.991,384 3.323,385 2.208,386 4.717,387 2.882,388 1.901,389 2.547,391 4.991,392 1.848,393 3.014,394 1.563,395 4.468,396 2.504,397 1.526,398 2.256,400 4.124,401 1.489,402 2.748,403 1.455,404 4.173,405 2.26,406 1.31,407 1.849,409 3.62,410 1.24,411 2.5,412 1.124,413 3.581,414 2,415 1,416 1.5,418 2.361,419 1,420 2.352,421 1.083,422 3.414,423 1.908,424 0.946,425 1.288,427 2.275,428 0.907,429 1.525,430 1,431 2.926,432 1.319,433 0.408,434 0.437,436 0.651,437 0.368,438 1.392,439 0.706,440 2.679,441 1.027,442 0.058,443 0.072,445 0.131,446 0.056,447 1.225,448 0.567,449 2.501,450 0.805,451 -0.171,452 -0.219,454 -0.393,455 -0.164,456 0.838,457 0.138,458 2.367,459 0.448,460 -0.511,461 -0.642,463 -1.266,464 -0.485,465 0.635,466 -0.187,467 2.127,468 0.157,469 -0.82,470 -1.082,472 -2,473 -0.786,474 11.6,475 0.464,476 0.682,477 0.027,478 34,479 1.36,480 17,481 0.68,482 17,483 0.68,484 17.521,485 0.701,486 27.1,487 0.616,488 26.335,489 1.053,490 7.137,491 0.285,492 4.854,493 0.194,494 0.187,496 0.371,501 0.812,502 1.527,503 0.753,504 1.168,505 0.586,506 0.974,507 0.597,508 0.954,509 0.718,510 0.839,511 0.445,512 0.797,513 1.305,514 1.112,515 1.044,516 0.946,517 1.074,518 0.936,519 1.108,520 1.095,521 1.124,522 1.045,523 0.878,524 1.08,525 0.859,526 1.066,527 1.039,528 1.084,529 0.848,530 1.084,531 0.729,532 1.026,533 1.048,534 1.142,535 0.908,536 1.161,537 0.624,538 0.936,539 0.875,540 1.039,541 0.553,542 1.016,543 1.08,544 0.928,545 0.986,546 1.02,547 1.112,548 1.006,549 5.5,550 0.14,551 2.889,552 2.076,553 1.646,554 0.945,555 0.63,556 0.315,557 0.246,558 0.17,559 6738,560 20569,561 2.015,562 43.2,564 13,565 1,567 2,568 3,572 1.679,573 1.852,574 3.374,575 0.312,576 1,577 1,579 1,582 71.691,583 1.629,584 3.683,585 4.461,586 4.953,587 4.953,588 4.953,589 2.923,590 4.214,591 4.607,592 3.537,593 1061.08,594 7.97,595 12767.3,597 1,599 1,600 240.215,601 1.516,602 4.555,603 0.204,604 0.011,605 0.076,606 0.053,607 0.044,608 0.028,609 0.023,610 0.014,611 0.013,612 0.009,613 0.475,614 0.33,615 1,616 1.419,617 120.711,618 -0.074,619 -0.311,620 0.049,621 -0.131,622 -0.079,623 -0.034,624 0.302,625 0.185,626 0.183,627 0.134,628 0.187,629 0.134,630 -0.254,631 -0.032,632 -0.122,633 0.038,634 -0.147,635 -0.004,636 -0.152,637 -0.029,638 -0.204,639 -0.059,640 -0.089,641 -0.132,642 -0.107,643 -0.04,644 -0.116,645 -0.083,646 -0.031,647 -0.091,648 0.033,649 -0.067,650 -0.1,651 -0.129,652 -0.064,653 -0.141,654 0.091,655 -0.051,656 0.12,657 -0.032,658 0.054,659 0.038,660 -0.002,661 -0.037,662 0.034,663 -0.034,664 -0.033,665 -0.007,666 2.173,667 4.391,668 0.6,669 24.352,670 1.012,671 1.13,672 1.747,673 3.051,674 0.661,675 3.332,676 3.664,677 3.932,678 4.22,679 4.454,680 4.564,681 4.727,682 4.844,683 4.836,684 4.86,685 6.22,686 0.64,687 339.41,688 3.332,689 4.875,690 5.727,691 6.616,692 7.495,693 8.394,694 9.286,695 10.191,696 11.092,697 12,698 9.1,705 2,706 1,708 1,714 1,715 8,720 4,721 1,722 16,737 1,741 44,743 18,744 1,745 27,747 46,748 18,749 13,750 2,751 4,756 3,757 4,763 1,772 15,773 3,777 2,782 2,786 2,789 1,790 1,793 19,794 5,795 2,796 7,799 1,802 4,803 1,808 0.667,809 3,822 1,828 1,829 2,832 1,843 1,859 2,864 3,868 25,877 2,878 1,893 6.8,896 2,898 1,901 13.5,902 8.867,903 5.556,904 2.486,907 3.364,908 1.464,909 0.981,910 4.946,911 10.616,912 3.638,913 4.273,914 4.876,915 5.535,916 6.116,917 6.52,918 7.002,919 7.462,920 7.735,921 8.073,922 1,923 39,924 9.17,926 3.799,927 0.026,929 7.907,931 17.17,933 13.503,936 2.407,937 60.167,941 200.109,942 127.695,943 39.207,945 61.29,948 127.695,949 261.398,950 39.207,951 25.618,952 36.022,953 75.381,954 58.609,955 25.8,956 18.534,957 188.338,959 200.109,960 166.902,961 61.29,964 200.109,965 61.29,968 52.933,969 112.07,970 1.899,972 200.109,973 100.497,974 127.695,977 200.109,978 26.696,979 104.185,980 36.022,981 61.29,982 200.109,983 100.497,984 127.695,986 0.58,987 0.333,988 0.18,989 0.103,990 18,991 9,992 0.087,993 4,994 1,995 1.133,996 3.629,997 204.93,998 0.133,999 15,1000 110.096,1005 17.296,1006 7.149,1007 3.611,1008 0.937,1009 97.311,1010 14.899,1015 3.091,1016 2.028,1017 36.022,1018 428.301,1019 37,1024 22.649,1028 -0.631,1031 44.516,1032 49.735,1034 0.298,1035 0.675,1036 0.817,1037 0.907,1038 0.907,1039 0.907,1040 4.868,1041 1.31,1042 5.727,1043 4.124,1044 4.344,1045 4.959,1046 2.746,1047 6.558,1048 4.251,1049 6.1,1050 1,1051 7.3,1052 3.62,1053 4.007,1054 4.89,1055 2.29,1056 7.513,1057 3.857,1058 7.425,1059 0.946,1060 8.974,1061 2.361,1062 5.953,1063 7.229,1064 3.913,1065 10.632,1066 5.747,1067 8.787,1068 0.408,1069 10.707,1070 2.275,1071 6.415,1072 7.989,1073 4.025,1074 12.435,1075 6.133,1076 10.181,1077 0.058,1078 12.478,1079 0.651,1080 7.864,1081 9.837,1082 5.25,1083 15.096,1084 7.534,1085 11.599,1086 -0.171,1087 14.279,1088 0.131,1089 8.701,1090 11.002,1091 5.632,1092 17.261,1093 8.287,1094 13.037,1095 -0.511,1096 16.101,1097 -0.393,1098 9.961,1099 12.656,1100 6.664,1101 19.769,1102 9.498,1103 3.279,1104 -0.82,1105 17.941,1106 -1.266,1107 10.977,1108 14.02,1109 7.197,1110 22.088,1111 10.432,1112 2.766,1113 11.486,1114 19.794,1115 -2,1116 12.17,1117 15.598,1118 8.122,1119 24.545,1120 11.569,1121 2.562,1122 9.129,1123 21.659,1124 4.673,1125 13.27,1126 17.056,1127 8.746,1128 26.929,1129 12.592,1130 2.306,1131 7.449,1132 23.534,1133 3.757,1134 14.443,1135 18.605,1136 9.609,1137 29.37,1138 13.704,1139 2.04,1140 6.985,1141 25.416,1142 3.309,1143 15.583,1144 20.106,1145 10.289,1146 31.784,1147 14.771,1148 1.901,1149 5.319,1150 27.305,1151 2.952,1152 16.754,1153 21.646,1154 11.117,1155 34.221,1156 15.878,1157 1.526,1158 4.991,1159 29.2,1160 2.661,1161 17.914,1162 23.167,1163 11.833,1164 36.648,1165 16.967,1166 6745,1167 11880,1168 17.512,1169 29.097,1170 40.487,1171 42.234,1172 42.534,1173 40.174,1174 40.204,1175 54.6,1176 9.217,1177 117.042,1178 38.465,1179 5.502,1180 5.659,1181 6.437,1182 5.272,1183 5.279,1184 7.673,1185 3.889,1186 19.009,1187 5.072,1188 14.549,1189 1.5,1190 1.564,1191 1.575,1192 1.488,1193 1.489,1194 2.022,1195 0.341,1196 4.335,1197 1.425,1198 4.186,1199 4.235,1200 4.156,1201 4.033,1202 7.435,1203 4.057,1204 3.868,1205 3.891,1206 3.817,1207 3.78,1208 7.429,1209 3.784,1210 3.593,1211 3.643,1212 3.517,1213 3.363,1214 4.997,1215 3.389,1216 3.516,1217 3.577,1218 3.428,1219 3.25,1220 4.777,1221 3.273,1222 3.387,1223 3.447,1224 3.272,1225 3.188,1226 4.347,1227 3.214,1228 3.1,1229 3.186,1230 2.939,1231 2.897,1232 4.212,1233 2.893,1234 2.991,1235 3.034,1236 2.825,1237 2.735,1238 4.015,1239 2.746,1240 2.854,1241 2.952,1242 2.687,1243 2.73,1244 3.962,1245 2.715,1246 0.174,1247 0.136,1248 0.255,1249 0.156,1250 0.121,1251 4.709,1252 0.173,1253 3.659,1254 0.081,1255 6.886,1256 0.425,1257 4.214,1258 0.114,1259 3.279,1260 4.673,1261 2.186,1262 11.486,1263 3.072,1264 1.92,1265 1.893,1266 2.012,1267 2.096,1268 1.134,1269 2.071,1270 1.912,1271 1.874,1272 2.002,1273 2.011,1274 1.112,1275 2.009,1276 1.523,1277 1.469,1278 1.727,1279 1.781,1280 0.79,1281 1.758,1282 1.429,1283 1.377,1284 1.693,1285 1.718,1286 0.709,1287 1.709,1288 1.383,1289 1.305,1290 1.666,1291 1.646,1292 0.68,1293 1.653,1294 1.125,1295 1.051,1296 1.377,1297 1.336,1298 0.459,1299 1.356,1300 0.891,1301 0.848,1302 1.181,1303 1.215,1304 0.218,1305 1.182,1306 0.886,1307 0.821,1308 1.123,1309 1.105,1310 0.19,1311 1.12,1312 4.007,1314 5.333,1315 2.398,1316 6.849,1317 4.844,1318 8.456,1319 7.05,1320 10.115,1322 4.946,1329 5.228,1330 5.097,1340 28.181,1341 71.691,1342 162.034,1343 196.299,1344 217.95,1345 217.95,1346 217.95,1347 37.495,1348 7.253,1349 75.72,1350 75.72,1351 17,1352 12.518,1353 4.248,1354 3.459,1355 41.856,1356 91,1357 106,1358 0.228,1359 175.535,1360 298.11,1361 420.066,1362 12626,1364 17.974,1365 0.719,1366 0.572,1367 17.974,1368 14.291,1369 11.99,1370 0.444,1371 0.292,1372 7.721,1373 11.382,1374 7.469,1375 6.274,1376 11.99,1377 7.876,1378 10.937,1379 0.288,1380 0.149,1381 10.937,1382 5.679,1383 8.867,1384 0.177,1385 0.079,1386 8.867,1387 3.958,1388 7.368,1389 0.11,1390 0.041,1391 7.368,1392 2.763,1393 6.035,1394 0.071,1395 0.022,1396 6.035,1397 1.878,1398 0.356,1399 76.039,1400 0.239,1401 24.248,1402 0.63,1403 130,1404 413.85,1405 147.682,1406 394.621,1407 538.36,1408 368,1409 153,1410 403.616,1411 169.331,1412 403.621,1413 587.93,1414 379,1415 5.959}
{0 CHEMBL1082747,1 1.539,2 8.727,3 3.151,4 9.929,5 84.589,6 7.409,7 0.667,8 3.793,9 3.912,10 3.368,11 3.29,12 4.916,13 3.285,14 4.302,15 4.489,16 3.723,17 3.659,18 5.414,19 3.642,20 4.45,21 4.616,22 3.75,23 3.799,24 5.541,25 3.752,26 4.604,27 4.817,28 3.623,29 3.769,30 5.665,31 3.699,32 4.434,33 4.646,34 3.536,35 3.708,36 5.447,37 3.619,38 4.434,39 4.655,40 3.454,41 3.671,42 5.426,43 3.56,44 4.404,45 4.663,46 3.255,47 3.518,48 5.332,49 3.384,50 4.15,51 4.39,52 3.123,53 3.227,54 5.182,55 3.132,56 0.008,57 0.593,58 8.151,59 3.389,60 5.109,61 4.515,62 0.377,63 0.929,64 15.681,65 5.127,66 23.332,67 7.197,68 0.108,69 1.032,70 17.499,71 6.919,72 16.494,73 9.16,74 0.395,75 1.089,76 23.094,77 7.439,78 48.438,79 9.841,80 0.22,81 0.976,82 18.36,83 6.86,84 24.067,85 9.475,86 0.18,87 0.946,88 18.516,89 7.221,90 23.483,91 9.988,92 0.265,93 0.862,94 19.279,95 6.964,96 28.963,97 9.803,98 0.207,99 0.674,100 14.719,101 5.003,102 22.169,103 6.99,104 20,105 34,106 0.271,107 0.57,108 0.699,109 0.831,110 0.84,111 0.84,112 3.147,113 0.89,114 -3.27,115 -3.25,116 -3.12,121 42.5,126 3,144 7,145 1,146 1,148 1,153 2,161 1,163 1,176 6,179 3,180 4,182 1,187 5,189 2,192 4,200 2,203 3,206 7,214 1,216 2,219 5,221 1,227 4,229 1,231 1,232 3,239 5,244 1,246 2,251 3,255 2,256 2,264 2,269 2,281 624,282 14.637,283 14.637,284 14.637,285 14.637,286 14.637,287 12.637,288 10.543,289 8.55,290 15.054,291 11.824,292 11.824,293 11.824,294 11.824,295 11.824,296 8.772,297 10.079,298 4.046,299 12.483,300 3.783,301 2.087,302 1.355,303 0.607,304 0.557,305 0.557,306 3.824,310 1,311 1,312 1,313 408,314 3.162,317 42.832,318 126.305,321 85.03,325 1.388,326 13.602,327 1,328 1,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 47.5,338 192,339 4.656,340 3.762,341 6.798,342 4.169,343 3.229,344 4.599,345 2.208,346 11.152,347 3.041,348 4.126,349 3.256,350 6.023,351 3.713,352 2.775,353 3.745,354 0.655,355 8.616,356 2.603,357 3.864,358 2.773,359 5.801,360 3.524,361 2.57,362 3.146,363 0.13,364 7.777,365 2.424,366 3.551,367 2.383,368 5.278,369 3.134,370 2.186,371 2.883,373 6.423,374 2.069,375 3.228,376 1.984,377 4.974,378 2.747,379 1.816,380 2.526,382 5.361,383 1.689,384 3.006,385 1.903,386 4.421,387 2.504,388 1.532,389 2.241,391 4.06,392 1.484,393 2.761,394 1.555,395 3.622,396 2.283,397 1.308,398 1.877,400 2.908,401 1.271,402 2.558,403 1.328,404 3.554,405 2.06,406 1.08,407 1.586,409 2.577,410 1.056,411 2.304,412 1.099,413 3.429,414 1.967,415 1,416 1.191,418 2.272,419 0.948,420 2.112,421 0.738,422 3.353,423 1.645,424 0.675,425 0.95,427 1.668,428 0.653,429 1.182,430 0.661,431 2.641,432 0.744,433 -0.222,434 -0.29,436 -0.551,437 -0.21,438 0.99,439 -0.246,440 2.413,441 0.61,442 -0.348,443 -0.444,445 -0.87,446 -0.331,447 0.674,448 -0.36,449 2.209,450 0.207,451 -0.764,452 -1,454 -1.905,455 -0.734,456 0.617,457 -0.6,458 2,459 0.095,460 -0.874,461 -1.052,463 -2,464 -0.849,465 0.484,466 -0.733,467 1.792,468 -0.001,469 -1,470 -1.298,472 -2.155,473 -0.9,474 10.367,475 0.471,476 0.613,477 0.028,478 30,479 1.364,480 15,481 0.682,482 15,483 0.682,484 14.651,485 0.666,486 23.533,487 0.588,488 21.918,489 0.996,490 6.291,491 0.286,492 4.267,493 0.194,494 0.177,496 0.357,501 0.809,502 1.597,503 0.764,504 1.217,505 0.608,506 1.017,507 0.793,508 0.789,509 0.782,510 0.668,511 0.465,512 0.689,513 1.049,514 1.283,515 1.002,516 1.226,517 0.754,518 1.126,519 1.747,520 0.904,521 1.199,522 0.859,523 1.712,524 0.936,525 0.886,526 1.022,527 1.024,528 1.048,529 0.961,530 1.056,531 0.751,532 1.105,533 1.013,534 1.189,535 0.809,536 1.156,537 0.815,538 0.876,539 0.936,540 0.99,541 0.805,542 0.995,543 1.022,544 1.096,545 0.959,546 1.111,547 1.165,548 1.051,549 4.5,550 0.066,551 2.667,552 1.889,553 1.209,554 0.58,555 0.427,556 0.277,557 0.202,558 0.145,559 4715,560 12159,561 2.043,562 45,564 16,565 2,572 1.646,573 1.886,574 3.153,575 -0.762,576 1,577 1,579 1,582 61.577,583 1.539,584 3.235,585 3.967,586 4.715,587 4.765,588 4.765,589 2.55,590 4.278,591 4.431,592 3.285,593 758.735,594 7.616,595 8240.94,596 1,597 1,598 1,599 1,600 212.877,601 1.495,602 4.376,603 0.188,604 0.008,605 0.078,606 0.056,607 0.042,608 0.021,609 0.018,610 0.015,611 0.013,612 0.012,613 0.45,614 0.83,615 1,616 1.258,617 100.524,618 -0.008,619 -0.42,620 0.08,621 -0.196,622 -0.068,623 -0.073,624 0.26,625 0.363,626 0.162,627 0.27,628 0.193,629 0.221,630 -0.085,631 -0.228,632 -0.095,633 -0.213,634 0.021,635 -0.163,636 -0.329,637 0.065,638 -0.182,639 0.093,640 -0.242,641 -0.005,642 -0.028,643 -0.015,644 -0.087,645 -0.052,646 -0.049,647 -0.074,648 0.048,649 -0.145,650 -0.075,651 -0.175,652 -0.029,653 -0.151,654 0.089,655 0.016,656 0.06,657 0.001,658 0.035,659 0.017,660 0.113,661 -0.176,662 0.056,663 -0.153,664 0.04,665 -0.081,666 2.052,667 4.662,668 0.682,669 16.669,670 1.002,671 1.126,672 2.036,673 4.144,674 0.666,675 3.219,676 3.555,677 3.829,678 4.078,679 4.29,680 4.344,681 4.477,682 4.585,683 4.543,684 4.533,685 5.378,686 0.636,687 296.38,688 3.219,689 4.762,690 5.617,691 6.5,692 7.377,693 8.267,694 9.154,695 10.049,696 10.941,697 11.839,698 7.5,705 1,706 1,708 1,714 1,715 9,720 3,721 1,722 16,737 1,741 40,743 17,744 1,745 24,747 42,748 17,749 13,750 2,751 4,756 3,757 4,772 14,773 3,777 1,782 1,786 1,789 1,790 1,793 18,794 3,796 5,799 1,802 3,803 1,808 0.667,809 2,822 1,828 1,829 2,832 1,859 2,864 3,868 22,878 1,881 1,893 5,896 1,898 1,901 11.667,902 8.233,903 4.806,904 2.251,907 3.293,908 1.475,909 0.984,910 3.963,911 10.22,912 3.526,913 4.171,914 4.799,915 5.427,916 5.985,917 6.332,918 6.805,919 7.252,920 7.463,921 7.786,922 0.833,923 34,924 8.081,926 3.335,927 0.026,929 7.72,931 15.392,933 12.198,936 2.22,937 48.833,941 211.88,942 129.281,943 6.31,945 36.145,948 129.281,949 248.025,950 6.31,951 25.189,952 3.124,953 84.429,954 28.759,955 23.472,956 30.305,957 188.338,959 211.88,960 135.591,961 36.145,964 211.88,965 36.145,968 8.883,969 124.809,970 1.899,972 211.88,973 42.455,974 129.281,977 211.88,978 19.664,979 115.928,981 36.145,982 211.88,983 42.455,984 129.281,986 0.588,987 0.345,988 0.176,989 0.097,990 17,991 8,992 0.071,993 3,994 1,995 1.133,996 3.377,997 173.009,998 0.133,999 15,1000 96.107,1005 14.755,1006 5.909,1007 2.917,1008 1.091,1009 39.269,1010 17.658,1015 2.579,1016 2.104,1018 383.616,1019 33,1024 11.662,1028 -0.386,1031 40.087,1032 45.028,1034 0.289,1035 0.608,1036 0.745,1037 0.886,1038 0.895,1039 0.895,1040 4.754,1041 1.08,1042 5.617,1043 2.908,1044 4.234,1045 4.856,1046 2.32,1047 6.444,1048 4.127,1049 5.984,1050 1,1051 7.192,1052 2.577,1053 3.892,1054 4.732,1055 1.847,1056 7.38,1057 3.698,1058 7.304,1059 0.675,1060 8.869,1061 2.272,1062 5.844,1063 7.127,1064 3.527,1065 10.494,1066 5.618,1067 8.663,1068 -0.222,1069 10.604,1070 1.668,1071 6.312,1072 7.849,1073 3.656,1074 12.268,1075 5.993,1076 10.056,1077 -0.348,1078 12.375,1079 -0.551,1080 7.762,1081 9.729,1082 4.955,1083 14.91,1084 7.413,1085 11.473,1086 -0.764,1087 14.173,1088 -0.87,1089 8.598,1090 10.865,1091 5.37,1092 17.039,1093 8.162,1094 12.911,1095 -0.874,1096 15.989,1097 -1.905,1098 9.854,1099 12.53,1100 6.458,1101 19.523,1102 9.381,1103 3.229,1104 -1,1105 17.821,1106 -2,1107 10.86,1108 13.869,1109 7.028,1110 21.808,1111 10.308,1112 2.775,1113 11.152,1114 19.664,1115 -2.155,1116 12.043,1117 15.444,1118 7.994,1119 24.238,1120 11.446,1121 2.57,1122 8.616,1123 21.517,1124 4.599,1125 13.129,1126 16.881,1127 8.654,1128 26.592,1129 12.461,1130 2.186,1131 7.777,1132 23.379,1133 3.745,1134 14.288,1135 18.42,1136 9.549,1137 29.006,1138 13.569,1139 1.816,1140 6.423,1141 25.248,1142 3.146,1143 15.412,1144 19.902,1145 10.263,1146 31.39,1147 14.626,1148 1.532,1149 5.361,1150 27.123,1151 2.883,1152 16.567,1153 21.429,1154 11.116,1155 33.799,1156 15.726,1157 1.308,1158 4.06,1159 29.003,1160 2.526,1161 17.709,1162 22.932,1163 11.862,1164 36.197,1165 16.806,1166 4670,1167 7596,1168 15.72,1169 26.637,1170 36.831,1171 37.646,1172 37.839,1173 36.409,1174 36.341,1175 49.486,1176 5.986,1177 105.626,1178 34.479,1179 5.483,1180 5.762,1181 6.479,1182 5.231,1183 5.229,1184 7.599,1185 3.912,1186 18.519,1187 5.041,1188 11.63,1189 1.535,1190 1.569,1191 1.577,1192 1.517,1193 1.514,1194 2.062,1195 0.249,1196 4.401,1197 1.437,1198 4.177,1199 4.227,1200 4.143,1201 4.027,1202 7.433,1203 4.049,1204 3.866,1205 3.889,1206 3.813,1207 3.776,1208 5.005,1209 3.78,1210 3.615,1211 3.682,1212 3.525,1213 3.345,1214 4.775,1215 3.377,1216 3.429,1217 3.494,1218 3.32,1219 3.284,1220 4.324,1221 3.287,1222 3.103,1223 3.186,1224 2.943,1225 2.906,1226 4.224,1227 2.9,1228 3.044,1229 3.065,1230 2.91,1231 2.788,1232 4.044,1233 2.81,1234 2.874,1235 3.009,1236 2.679,1237 2.688,1238 3.876,1239 2.679,1240 2.828,1241 2.904,1242 2.592,1243 2.621,1244 3.594,1245 2.597,1246 0.194,1247 0.157,1248 0.283,1249 0.174,1250 0.135,1251 4.656,1252 0.192,1253 3.762,1254 0.092,1255 6.798,1256 0.465,1257 4.169,1258 0.127,1259 3.229,1260 4.599,1261 2.208,1262 11.152,1263 3.041,1264 1.916,1265 1.893,1266 2.015,1267 2.079,1268 1.13,1269 2.062,1270 1.906,1271 1.863,1272 2.006,1273 2.011,1274 1.097,1275 2.009,1276 1.531,1277 1.469,1278 1.784,1279 1.822,1280 0.835,1281 1.809,1282 1.478,1283 1.406,1284 1.697,1285 1.697,1286 0.779,1287 1.702,1288 1.126,1289 1.052,1290 1.417,1291 1.334,1292 0.469,1293 1.357,1294 0.934,1295 0.902,1296 1.385,1297 1.239,1298 0.463,1299 1.308,1300 0.929,1301 0.804,1302 1.141,1303 1.237,1304 0.186,1305 1.189,1306 0.832,1307 0.772,1308 1.1,1309 1.029,1310 0.181,1311 1.056,1312 3.892,1314 5.22,1315 2.398,1316 6.742,1317 4.844,1318 8.347,1319 7.034,1320 9.996,1322 5.336,1330 5.323,1333 1.402,1340 25.445,1341 61.577,1342 129.412,1343 158.696,1344 188.612,1345 190.612,1346 190.612,1347 27.297,1348 6.927,1349 37.83,1350 37.83,1351 17,1352 12.364,1353 4.17,1354 3.322,1355 34.453,1356 70,1357 66,1358 0.245,1359 158.08,1360 263.66,1361 377.475,1362 8478,1364 15.69,1365 0.713,1366 0.587,1367 15.69,1368 12.907,1369 10.559,1370 0.44,1371 0.297,1372 6.982,1373 10.065,1374 6.717,1375 5.672,1376 10.559,1377 7.119,1378 9.717,1379 0.286,1380 0.16,1381 9.717,1382 5.451,1383 8.166,1384 0.181,1385 0.081,1386 8.166,1387 3.662,1388 6.458,1389 0.111,1390 0.043,1391 6.458,1392 2.471,1393 5.232,1394 0.073,1395 0.023,1396 5.232,1397 1.662,1398 0.376,1399 66.686,1400 0.252,1401 21.498,1402 0.69,1403 116,1404 335.094,1405 129.386,1406 322.957,1407 446.65,1408 302,1409 137,1410 340.078,1411 151.334,1412 344.979,1413 501.78,1414 321,1415 5.149}
{0 CHEMBL1082748,1 1.513,2 8.826,3 3.297,4 10.868,5 89.43,6 7.219,7 0.64,8 3.856,9 3.978,10 3.407,11 3.353,12 4.959,13 3.341,14 4.376,15 4.57,16 3.776,17 3.724,18 5.457,19 3.701,20 4.522,21 4.687,22 3.826,23 3.884,24 5.603,25 3.837,26 4.713,27 4.925,28 3.72,29 3.898,30 5.751,31 3.816,32 4.592,33 4.821,34 3.613,35 3.831,36 5.551,37 3.727,38 4.531,39 4.75,40 3.532,41 3.783,42 5.507,43 3.664,44 4.561,45 4.832,46 3.349,47 3.664,48 5.444,49 3.513,50 4.312,51 4.564,52 3.238,53 3.384,54 5.301,55 3.273,56 0.002,57 0.632,58 9.099,59 3.717,60 6.025,61 5.055,62 0.373,63 0.992,64 17.346,65 5.682,66 24.857,67 8.155,68 0.12,69 1.125,70 19.262,71 7.325,72 18.165,73 9.891,74 0.366,75 1.224,76 25.639,77 8.552,78 49.697,79 11.59,80 0.252,81 1.131,82 22.157,83 7.975,84 27.24,85 11.331,86 0.168,87 1.048,88 20.462,89 8.095,90 24.651,91 11.269,92 0.274,93 0.998,94 22.651,95 8.254,96 32.523,97 11.788,98 0.195,99 0.785,100 17.407,101 6.038,102 24.651,103 8.594,104 29,105 36,106 0.263,107 0.573,108 0.713,109 0.826,110 0.834,111 0.834,112 3.189,113 0.905,114 -3.5,115 -3.48,116 -3.32,121 41.9,122 1,126 3,144 7,145 1,146 1,148 1,153 1,154 1,161 1,163 1,176 6,179 3,180 5,182 1,187 6,189 2,192 4,200 3,203 3,206 7,214 2,216 3,219 5,221 1,227 5,229 1,231 1,232 3,239 7,244 1,246 2,251 4,255 2,256 3,264 3,269 2,281 697,282 15.137,283 15.137,284 15.137,285 15.137,286 15.137,287 13.092,288 12.969,289 8.712,290 15.557,291 12.291,292 12.291,293 12.291,294 12.291,295 12.291,296 9.163,297 11.55,298 4.102,299 12.957,300 3.913,301 2.126,302 1.324,303 0.675,304 0.628,305 0.628,306 3.864,310 1,311 1,312 1,313 429,314 3.24,317 44.874,318 132.352,321 89.241,325 1.414,326 14.467,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 49.5,338 203,339 4.703,340 3.762,341 6.873,342 4.21,343 3.272,344 4.668,345 2.208,346 11.416,347 3.074,348 4.161,349 3.311,350 6.174,351 3.749,352 2.8,353 3.782,354 0.655,355 9.012,356 2.664,357 3.901,358 2.83,359 5.814,360 3.573,361 2.627,362 3.257,363 0.13,364 7.859,365 2.453,366 3.674,367 2.565,368 5.5,369 3.259,370 2.309,371 2.993,373 6.818,374 2.189,375 3.378,376 2.178,377 5.184,378 2.967,379 2.012,380 2.689,382 6.107,383 1.916,384 3.007,385 1.974,386 4.505,387 2.507,388 1.532,389 2.243,391 4.086,392 1.49,393 2.794,394 1.565,395 4.217,396 2.319,397 1.362,398 1.92,400 3.652,401 1.299,402 2.596,403 1.443,404 3.618,405 2.135,406 1.166,407 1.639,409 2.683,410 1.126,411 2.322,412 1.241,413 3.501,414 1.967,415 1,416 1.249,418 2.272,419 0.949,420 2.301,421 0.941,422 3.428,423 1.861,424 0.886,425 1.189,427 2.219,428 0.861,429 1.218,430 0.667,431 2.696,432 0.872,433 -0.101,434 -0.125,436 -0.241,437 -0.098,438 1.169,439 0.114,440 2.415,441 0.738,442 -0.227,443 -0.295,445 -0.569,446 -0.214,447 0.817,448 -0.348,449 2.373,450 0.426,451 -0.544,452 -0.706,454 -1.296,455 -0.525,456 0.659,457 -0.413,458 2.27,459 0.203,460 -0.778,461 -1,463 -2,464 -0.762,465 0.484,466 -0.6,467 2,468 -0.001,469 -1,470 -1.068,472 -2.033,473 -0.9,474 10.867,475 0.472,476 0.703,477 0.031,478 30.5,479 1.326,480 15,481 0.652,482 15.5,483 0.674,484 16.895,485 0.735,486 24.833,487 0.578,488 22.761,489 0.99,490 6.359,491 0.276,492 4.61,493 0.2,494 0.215,496 0.387,501 0.806,502 1.592,503 0.791,504 1.23,505 0.624,506 1.04,507 0.76,508 0.826,509 0.736,510 0.677,511 0.445,512 0.678,513 1.129,514 1.245,515 1.038,516 1.177,517 0.763,518 1.1,519 1.644,520 0.992,521 1.19,522 0.946,523 1.635,524 1.001,525 0.888,526 0.978,527 1.031,528 1.007,529 0.887,530 1.029,531 0.731,532 1.146,533 1.047,534 1.234,535 0.794,536 1.201,537 0.74,538 0.861,539 0.9,540 0.969,541 0.755,542 0.97,543 0.888,544 1.1,545 0.905,546 1.127,547 1.028,548 1.045,549 5,550 0.099,551 3.111,552 2.076,553 1.526,554 0.691,555 0.468,556 0.331,557 0.222,558 0.165,559 5198,560 12970,561 2.016,562 46.5,564 16,565 1,568 3,572 1.659,573 1.84,574 3.161,575 -0.772,576 1,577 1,579 1,582 65.077,583 1.513,584 3.3,585 4.102,586 4.751,587 4.798,588 4.798,589 2.541,590 4.176,591 4.495,592 3.31,593 837.509,594 7.748,595 9383.1,597 1,599 1,600 233.329,601 1.538,602 4.428,603 0.2,604 0.01,605 0.086,606 0.056,607 0.048,608 0.024,609 0.018,610 0.016,611 0.012,612 0.013,613 0.483,614 0.67,615 1,616 1.265,617 106.659,618 0.002,619 -0.4,620 0.079,621 -0.184,622 -0.072,623 -0.068,624 0.294,625 0.319,626 0.225,627 0.275,628 0.217,629 0.252,630 -0.119,631 -0.145,632 -0.115,633 -0.163,634 0.013,635 -0.137,636 -0.285,637 -0.01,638 -0.186,639 0.021,640 -0.224,641 -0.058,642 -0.038,643 0.034,644 -0.08,645 -0.019,646 -0.03,647 -0.048,648 0.043,649 -0.167,650 -0.118,651 -0.208,652 -0.033,653 -0.192,654 0.103,655 0.028,656 0.085,657 0.022,658 0.036,659 0.042,660 0.159,661 -0.184,662 0.096,663 -0.16,664 0.084,665 -0.065,666 2.051,667 4.707,668 0.652,669 17.709,670 0.999,671 1.127,672 2.273,673 5.168,674 0.66,675 3.258,676 3.611,677 3.892,678 4.143,679 4.369,680 4.454,681 4.564,682 4.673,683 4.663,684 4.663,685 5.493,686 0.627,687 310.41,688 3.258,689 4.812,690 5.673,691 6.564,692 7.448,693 8.346,694 9.24,695 10.142,696 11.042,697 11.947,698 7,705 1,706 1,708 1,714 1,715 8,720 4,721 1,722 16,737 1,741 43,743 17,744 1,745 25,747 45,748 18,749 13,750 2,751 4,756 3,757 4,763 1,772 14,773 4,777 1,782 1,786 1,789 1,790 1,793 20,794 3,796 5,799 1,802 3,803 1,808 0.667,809 2,822 1,828 1,829 2,832 1,859 2,864 4,868 23,878 1,881 1,893 4.7,896 1,898 1,901 12.5,902 9.15,903 5,904 2.457,907 3.303,908 1.469,909 0.978,910 4.199,911 10.345,912 3.555,913 4.216,914 4.853,915 5.485,916 6.051,917 6.43,918 6.882,919 7.331,920 7.579,921 7.897,922 0.833,923 37,924 8.457,926 3.484,927 0.026,929 7.696,931 16.167,933 12.841,936 2.196,937 50.5,940 1,941 235.422,942 131.816,943 6.31,945 36.145,948 131.816,949 271.567,950 6.31,951 34.014,952 3.124,953 75.381,954 28.759,955 23.472,956 21.29,957 223.651,959 235.422,960 138.126,961 36.145,964 235.422,965 36.145,968 17.708,969 118.519,970 1.899,972 235.422,973 42.455,974 131.816,977 235.422,978 22.42,979 115.705,981 36.145,982 235.422,983 42.455,984 131.816,986 0.594,987 0.351,988 0.177,989 0.098,990 18,991 9,992 0.067,993 3,994 1,995 1.133,996 3.414,997 185.686,998 0.133,999 15,1000 100.042,1005 15.716,1006 6.144,1007 3.002,1008 1.107,1009 39.269,1010 15.858,1015 3.759,1016 2.125,1018 409.693,1019 34,1024 11.707,1028 -0.385,1031 42.971,1032 48.443,1034 0.279,1035 0.608,1036 0.756,1037 0.876,1038 0.884,1039 0.884,1040 4.796,1041 1.166,1042 5.687,1043 3.652,1044 4.29,1045 4.902,1046 2.32,1047 6.532,1048 4.187,1049 6.038,1050 1,1051 7.277,1052 2.683,1053 4.007,1054 4.844,1055 1.847,1056 7.506,1057 3.824,1058 7.368,1059 0.886,1060 8.967,1061 2.272,1062 5.922,1063 7.193,1064 3.527,1065 10.624,1066 5.701,1067 8.738,1068 -0.101,1069 10.714,1070 2.219,1071 6.431,1072 7.967,1073 3.656,1074 12.422,1075 6.122,1076 10.139,1077 -0.227,1078 12.496,1079 -0.241,1080 7.861,1081 9.82,1082 4.955,1083 15.079,1084 7.517,1085 11.565,1086 -0.544,1087 14.303,1088 -0.569,1089 8.724,1090 10.993,1091 5.37,1092 17.23,1093 8.295,1094 13.011,1095 -0.778,1096 16.128,1097 -1.296,1098 9.973,1099 12.648,1100 6.458,1101 19.731,1102 9.502,1103 3.272,1104 -1,1105 17.968,1106 -2,1107 10.998,1108 14.015,1109 7.028,1110 22.038,1111 10.449,1112 2.8,1113 11.416,1114 19.82,1115 -2.033,1116 12.183,1117 15.591,1118 7.994,1119 24.488,1120 11.585,1121 2.627,1122 9.012,1123 21.682,1124 4.668,1125 13.284,1126 17.049,1127 8.654,1128 26.864,1129 12.613,1130 2.309,1131 7.859,1132 23.552,1133 3.782,1134 14.451,1135 18.597,1136 9.549,1137 29.299,1138 13.724,1139 2.012,1140 6.818,1141 25.43,1142 3.257,1143 15.588,1144 20.097,1145 10.263,1146 31.705,1147 14.793,1148 1.532,1149 6.107,1150 27.313,1151 2.993,1152 16.753,1153 21.636,1154 11.116,1155 34.136,1156 15.898,1157 1.362,1158 4.086,1159 29.202,1160 2.689,1161 17.908,1162 23.156,1163 11.862,1164 36.556,1165 16.988,1166 5180,1167 8288,1168 16.126,1169 28.398,1170 38.477,1171 39.325,1172 40.027,1173 37.973,1174 37.931,1175 51.256,1176 5.986,1177 112.245,1178 36.045,1179 5.53,1180 5.762,1181 6.42,1182 5.273,1183 5.272,1184 7.668,1185 3.912,1186 18.91,1187 5.074,1188 13.389,1189 1.539,1190 1.573,1191 1.601,1192 1.519,1193 1.517,1194 2.05,1195 0.239,1196 4.49,1197 1.442,1198 4.186,1199 4.235,1200 4.154,1201 4.039,1202 7.433,1203 4.061,1204 3.87,1205 3.893,1206 3.818,1207 3.785,1208 4.995,1209 3.788,1210 3.618,1211 3.684,1212 3.529,1213 3.357,1214 4.772,1215 3.384,1216 3.469,1217 3.536,1218 3.358,1219 3.305,1220 4.329,1221 3.315,1222 3.182,1223 3.255,1224 3.028,1225 3.041,1226 4.229,1227 3.027,1228 3.053,1229 3.126,1230 2.916,1231 2.808,1232 4.046,1233 2.816,1234 3.007,1235 3.062,1236 2.744,1237 2.782,1238 3.949,1239 2.768,1240 2.874,1241 3.009,1242 2.659,1243 2.652,1244 3.69,1245 2.647,1246 0.188,1247 0.15,1248 0.275,1249 0.168,1250 0.131,1251 4.703,1252 0.187,1253 3.762,1254 0.088,1255 6.873,1256 0.457,1257 4.21,1258 0.123,1259 3.272,1260 4.668,1261 2.208,1262 11.416,1263 3.074,1264 1.934,1265 1.893,1266 2.037,1267 2.094,1268 1.163,1269 2.079,1270 1.914,1271 1.89,1272 2.009,1273 2.013,1274 1.124,1275 2.011,1276 1.536,1277 1.475,1278 1.784,1279 1.824,1280 0.836,1281 1.81,1282 1.489,1283 1.414,1284 1.715,1285 1.71,1286 0.807,1287 1.716,1288 1.159,1289 1.081,1290 1.514,1291 1.379,1292 0.573,1293 1.431,1294 1.126,1295 1.048,1296 1.417,1297 1.333,1298 0.469,1299 1.352,1300 0.934,1301 0.9,1302 1.373,1303 1.239,1304 0.46,1305 1.308,1306 0.928,1307 0.804,1308 1.14,1309 1.235,1310 0.186,1311 1.188,1312 3.932,1314 5.273,1315 2.398,1316 6.806,1317 4.844,1318 8.424,1319 7.05,1320 10.088,1322 7.43,1330 5.347,1333 1.405,1340 26.972,1341 65.077,1342 141.903,1343 176.394,1344 204.31,1345 206.31,1346 206.31,1347 30.029,1348 7.042,1349 37.83,1350 37.83,1351 17,1352 12.467,1353 4.17,1354 3.322,1355 36.798,1356 75,1357 72,1358 0.245,1359 167.672,1360 280.96,1361 400.88,1362 9702,1364 16.56,1365 0.72,1366 0.601,1367 16.56,1368 13.83,1369 10.969,1370 0.439,1371 0.302,1372 7.404,1373 10.476,1374 7.07,1375 5.985,1376 10.969,1377 7.54,1378 10.244,1379 0.285,1380 0.163,1381 10.244,1382 5.88,1383 8.645,1384 0.18,1385 0.083,1386 8.645,1387 3.993,1388 6.787,1389 0.109,1390 0.043,1391 6.787,1392 2.68,1393 5.501,1394 0.071,1395 0.023,1396 5.501,1397 1.831,1398 0.377,1399 69.113,1400 0.249,1401 22.286,1402 0.693,1403 122,1404 343.094,1405 135.719,1406 331.422,1407 460.12,1408 310,1409 145,1410 352.43,1411 159.501,1412 357.977,1413 521.45,1414 333,1415 4.62}
{0 CHEMBL1082749,1 1.797,2 9.577,3 4.385,4 19.226,5 90.44,6 8.474,7 0.571,8 3.888,9 3.997,10 3.546,11 3.347,12 5.107,13 3.38,14 4.439,15 4.609,16 4.019,17 3.716,18 6.121,19 3.754,20 4.557,21 4.709,22 4.018,23 3.878,24 5.858,25 3.88,26 4.766,27 4.956,28 4.01,29 3.885,30 6.107,31 3.895,32 4.667,33 4.867,34 3.953,35 3.817,36 6.028,37 3.814,38 4.579,39 4.778,40 3.774,41 3.773,42 5.827,43 3.729,44 4.635,45 4.877,46 3.653,47 3.649,48 5.925,49 3.604,50 4.389,51 4.609,52 3.562,53 3.366,54 5.752,55 3.377,56 0.186,57 0.836,58 6.787,59 3.801,60 21.957,61 4.249,62 1.069,63 1.616,64 16.659,65 5.868,66 138.286,67 6.889,68 0.589,69 1.436,70 16.327,71 7.411,72 31.659,73 8.765,74 1.001,75 1.671,76 25.275,77 8.757,78 104.712,79 9.564,80 0.953,81 1.641,82 22.64,83 8.192,84 93.46,85 9.267,86 0.644,87 1.367,88 19.797,89 8.262,90 65.835,91 9.817,92 0.976,93 1.367,94 25.453,95 8.479,96 111.456,97 9.844,98 0.729,99 1.103,100 18.803,101 6.218,102 87.22,103 7.01,104 56,105 42,106 0.312,107 0.613,108 0.713,109 0.826,110 0.834,111 0.834,112 3.305,113 0.842,114 -4.12,115 -4.06,116 -3.84,121 41.9,126 3,134 1,144 7,145 1,146 1,148 1,153 1,154 1,161 1,163 1,176 6,179 3,180 4,182 1,187 5,189 2,192 4,200 2,203 3,206 7,214 1,216 2,219 5,221 1,227 4,229 1,231 1,232 3,239 5,244 1,246 2,251 3,255 2,256 2,264 2,269 2,281 980,282 16.61,283 16.61,284 16.61,285 16.61,286 16.61,287 14.655,288 14.998,289 9.406,290 17.268,291 13.785,292 13.785,293 13.785,294 13.785,295 13.785,296 10.714,297 14.233,298 4.433,299 14.927,300 3.629,301 1.9,302 1.324,303 0.675,304 0.628,305 0.628,306 3.976,311 1,312 1,313 518,314 4.062,317 51.988,318 152.18,321 103.463,325 1.577,326 44.339,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 60,338 249,339 4.771,340 4.47,341 7.309,342 4.337,343 3.447,344 4.697,345 3.825,346 12.594,347 3.12,348 4.347,349 3.762,350 6.743,351 4.017,352 3.112,353 3.833,354 2.208,355 10.833,356 2.811,357 4.07,358 3.263,359 6.036,360 3.687,361 2.762,362 3.494,363 0.655,364 8.606,365 2.524,366 3.839,367 2.784,368 5.804,369 3.493,370 2.548,371 3.079,372 0.13,373 7.789,374 2.377,375 3.513,376 2.437,377 5.343,378 3.114,379 2.177,380 2.802,382 6.502,383 2.029,384 3.193,385 2.06,386 5.125,387 2.74,388 1.839,389 2.404,391 5.786,392 1.627,393 3.006,394 1.97,395 4.479,396 2.504,397 1.532,398 2.24,400 4.076,401 1.483,402 2.765,403 1.559,404 4.181,405 2.29,406 1.322,407 1.881,409 3.412,410 1.274,411 2.567,412 1.377,413 3.621,414 2.079,415 1.109,416 1.597,418 2.656,419 1.07,420 2.304,421 1.191,422 3.507,423 1.967,424 1,425 1.192,427 2.272,428 0.948,429 2.196,430 0.887,431 3.428,432 1.739,433 0.784,434 1.08,436 2.08,437 0.743,438 1.184,439 0.666,440 2.86,441 0.751,442 -0.215,443 -0.28,445 -0.534,446 -0.204,447 1.07,448 0.51,449 2.608,450 0.692,451 -0.261,452 -0.327,454 -0.699,455 -0.246,456 0.746,457 0.51,458 2.414,459 0.29,460 -0.664,461 -0.897,463 -1.659,464 -0.631,465 0.656,466 -0.057,467 2.371,468 0.201,469 -0.785,470 -1,472 -2,473 -0.7,474 11.724,475 0.451,476 0.991,477 0.038,478 32.75,479 1.26,480 15,481 0.577,482 17.75,483 0.683,484 20.139,485 0.775,486 29.376,487 0.683,488 28.897,489 1.111,490 6.99,491 0.269,492 5.19,493 0.2,494 0.229,495 0.043,496 0.358,498 3,501 0.627,502 1.176,503 0.624,504 1.223,505 0.581,506 1.011,507 0.482,508 0.636,509 0.601,510 0.674,511 0.34,512 0.666,513 0.63,514 0.862,515 0.807,516 1.162,517 0.535,518 1.102,519 1.2,520 1.025,521 1.065,522 0.955,523 1.057,524 0.956,525 1.03,526 1.017,527 1.026,528 1.011,529 1.118,530 1.017,531 0.782,532 1.013,533 0.975,534 1.226,535 0.765,536 1.211,537 1.138,538 0.999,539 1.091,540 0.969,541 1.129,542 1.003,543 1.215,544 1.197,545 1.032,546 1.131,547 1.25,548 1.042,549 7,550 0.165,551 3.778,552 2.701,553 1.733,554 1.341,555 0.631,556 0.424,557 0.342,558 0.232,559 6959,560 25621,561 1.961,562 39.5,564 16,565 1,572 1.693,573 1.763,574 3.251,575 -0.684,577 1,582 77.274,583 1.797,584 3.526,585 4.102,586 4.751,587 4.798,588 4.798,589 2.687,590 4.441,591 4.671,592 3.423,593 1112.64,594 8.109,595 13565.7,597 1,599 1,600 233.329,601 1.75,602 4.579,603 0.25,604 0.013,605 0.09,606 0.063,607 0.042,608 0.035,609 0.02,610 0.016,611 0.014,612 0.012,613 0.555,614 0.67,615 1,616 1.337,617 125.765,618 -0.045,619 -0.237,620 0.046,621 -0.18,622 -0.095,623 -0.072,624 0.399,625 0.378,626 0.26,627 0.28,628 0.446,629 0.237,630 0.045,631 -0.002,632 -0.028,633 -0.157,634 0.029,635 -0.142,636 -0.227,637 -0.137,638 -0.117,639 0.007,640 -0.126,641 -0.004,642 -0.049,643 0.033,644 -0.078,645 -0.019,646 -0.113,647 -0.054,648 -0.032,649 -0.144,650 -0.083,651 -0.208,652 -0.043,653 -0.184,654 -0.121,655 -0.032,656 -0.039,657 0.021,658 -0.11,659 0.025,660 -0.119,661 -0.195,662 0.013,663 -0.162,664 -0.13,665 -0.06,666 5.716,667 5.252,668 0.577,669 21.746,670 1.035,671 1.15,672 2.888,673 8.34,674 0.656,675 3.367,676 3.761,677 4.007,678 4.277,679 4.511,680 4.644,681 4.812,682 4.875,683 4.89,684 4.956,685 5.911,686 0.654,687 364.38,688 3.367,689 4.949,690 5.808,691 6.72,692 7.606,693 8.523,694 9.421,695 10.341,696 11.246,697 12.168,698 7,705 1,706 1,708 1,714 1,715 8,720 4,721 1,722 16,737 1,741 43,743 17,744 1,745 28,747 45,748 18,749 13,750 2,751 4,756 3,757 4,763 1,769 1,772 14,773 4,777 1,782 1,786 1,790 1,791 3,793 17,794 6,796 8,799 1,802 3,803 1,808 0.667,809 2,822 1,828 1,829 2,832 1,859 2,864 3,866 3,868 26,878 1,881 1,882 1,892 3,893 4.7,896 1,898 1,901 14.75,902 8.829,903 5.5,904 2.377,907 3.319,908 1.453,909 0.98,910 4.781,911 10.649,912 3.638,913 4.301,914 4.921,915 5.565,916 6.142,917 6.553,918 7.047,919 7.463,920 7.743,921 8.112,922 1,923 43,924 10.063,926 4.734,927 0.026,929 8.337,931 17.415,933 13.935,936 2.837,937 73.75,940 1,941 200.109,942 130.75,943 6.31,945 36.145,946 44.88,948 130.75,949 236.254,950 51.19,951 25.189,952 3.124,953 75.381,954 28.759,955 68.352,956 21.29,957 188.338,958 7.76,959 200.109,960 137.06,961 81.025,964 200.109,965 81.025,968 16.642,969 118.519,970 1.899,972 244.989,973 42.455,974 130.75,977 207.868,978 22.42,979 106.88,981 81.025,982 200.109,983 87.335,984 130.75,986 0.605,987 0.343,988 0.171,989 0.095,990 21,991 11,992 0.067,993 3,994 1,995 1.133,996 3.564,997 223.271,998 0.133,999 15,1000 115.457,1005 18.428,1006 6.745,1007 3.623,1008 0.394,1009 84.149,1010 12.087,1015 0.748,1016 1.655,1018 418.194,1019 37,1024 11.692,1028 -0.534,1031 44.509,1032 49.462,1034 0.331,1035 0.65,1036 0.756,1037 0.876,1038 0.884,1039 0.884,1040 4.913,1041 1.322,1042 5.872,1043 4.076,1044 4.443,1045 4.987,1046 3.402,1047 6.772,1048 4.29,1049 6.178,1050 1.109,1051 7.503,1052 3.412,1053 4.369,1054 5.017,1055 4.006,1056 8.009,1057 4.037,1058 7.53,1059 1,1060 9.243,1061 2.656,1062 6.176,1063 7.28,1064 5.557,1065 11.067,1066 5.843,1067 8.92,1068 0.784,1069 11.045,1070 2.272,1071 6.858,1072 8.096,1073 6.735,1074 13.08,1075 6.341,1076 10.341,1077 -0.215,1078 12.887,1079 2.08,1080 8.246,1081 9.911,1082 8.101,1083 15.75,1084 7.705,1085 11.784,1086 -0.261,1087 14.756,1088 -0.534,1089 9.232,1090 11.101,1091 9.406,1092 18.06,1093 8.532,1094 13.246,1095 -0.664,1096 16.645,1097 -0.699,1098 10.486,1099 12.74,1100 10.748,1101 20.617,1102 9.729,1103 3.447,1104 -0.785,1105 18.55,1106 -1.659,1107 11.599,1108 14.114,1109 12.081,1110 23.046,1111 10.707,1112 3.112,1113 12.594,1114 20.467,1115 -2,1116 12.813,1117 15.684,1118 13.421,1119 25.571,1120 11.842,1121 2.762,1122 10.833,1123 22.394,1124 4.697,1125 13.98,1126 17.146,1127 14.76,1128 28.05,1129 12.891,1130 2.548,1131 8.606,1132 24.33,1133 3.833,1134 15.187,1135 18.693,1136 16.101,1137 30.567,1138 14.007,1139 2.177,1140 7.789,1141 26.272,1142 3.494,1143 16.38,1144 20.197,1145 17.442,1146 33.069,1147 15.09,1148 1.839,1149 6.502,1150 28.22,1151 3.079,1152 17.589,1153 21.737,1154 18.783,1155 35.587,1156 16.203,1157 1.532,1158 5.786,1159 30.173,1160 2.802,1161 18.795,1162 23.261,1163 20.125,1164 38.1,1165 17.305,1166 7013,1167 13622,1168 17.512,1169 28.211,1170 44.072,1171 43.963,1172 45.152,1173 43.506,1174 43.264,1175 56.597,1176 13.636,1177 133.211,1178 40.015,1179 5.598,1180 6.47,1181 6.856,1182 5.402,1183 5.447,1184 7.697,1185 5.529,1186 20.54,1187 5.12,1188 17.191,1189 1.574,1190 1.57,1191 1.613,1192 1.554,1193 1.545,1194 2.021,1195 0.487,1196 4.758,1197 1.429,1198 4.191,1199 4.238,1200 4.166,1201 4.039,1202 8.513,1203 4.063,1204 3.873,1205 3.895,1206 3.825,1207 3.785,1208 7.999,1209 3.789,1210 3.621,1211 3.685,1212 3.55,1213 3.356,1214 7.999,1215 3.388,1216 3.509,1217 3.566,1218 3.469,1219 3.304,1220 7.433,1221 3.324,1222 3.266,1223 3.316,1224 3.208,1225 3.034,1226 4.977,1227 3.07,1228 3.065,1229 3.15,1230 2.92,1231 2.806,1232 4.765,1233 2.819,1234 3.031,1235 3.063,1236 2.855,1237 2.782,1238 4.312,1239 2.783,1240 2.874,1241 3.009,1242 2.671,1243 2.651,1244 4.213,1245 2.65,1246 0.17,1247 0.16,1248 0.261,1249 0.155,1250 0.123,1251 4.771,1252 0.168,1253 4.47,1254 0.137,1255 7.309,1256 0.45,1257 4.337,1258 0.111,1259 3.447,1260 4.697,1261 3.825,1262 12.594,1263 3.12,1264 1.926,1265 1.893,1266 2.011,1267 2.096,1268 1.141,1269 2.069,1270 1.913,1271 1.885,1272 2.001,1273 2.013,1274 1.119,1275 2.01,1276 1.534,1277 1.474,1278 1.784,1279 1.824,1280 0.835,1281 1.809,1282 1.485,1283 1.412,1284 1.696,1285 1.711,1286 0.787,1287 1.709,1288 1.126,1289 1.054,1290 1.417,1291 1.402,1292 0.469,1293 1.36,1294 1.045,1295 1.008,1296 1.385,1297 1.334,1298 0.463,1299 1.308,1300 0.934,1301 0.9,1302 1.146,1303 1.239,1304 0.221,1305 1.291,1306 0.928,1307 0.804,1308 1.131,1309 1.235,1310 0.186,1311 1.188,1312 4.043,1314 5.416,1315 2.398,1316 6.971,1317 4.844,1318 8.608,1319 7.05,1320 10.291,1322 4.806,1324 39.757,1330 5.221,1333 1.287,1334 -4.466,1340 28.122,1341 77.274,1342 151.639,1343 176.394,1344 204.31,1345 206.31,1346 206.31,1347 59.008,1348 7.33,1349 37.83,1350 37.83,1351 17,1352 12.679,1353 4.17,1354 3.322,1355 44.249,1356 91,1357 92,1358 0.243,1359 171.267,1360 299.17,1361 409.651,1362 13755,1363 7,1364 19.06,1365 0.733,1366 0.556,1367 16.56,1368 14.464,1369 12.181,1370 0.435,1371 0.281,1372 7.645,1373 11.4,1374 7.431,1375 6.195,1376 10.969,1377 7.857,1378 12.24,1379 0.291,1380 0.146,1381 10.244,1382 6.122,1383 9.399,1384 0.174,1385 0.076,1386 8.645,1387 4.079,1388 7.569,1389 0.107,1390 0.039,1391 6.787,1392 2.771,1393 6.108,1394 0.068,1395 0.021,1396 5.501,1397 1.874,1398 0.374,1399 78.631,1400 0.239,1401 24.69,1402 0.688,1403 140,1404 619.427,1405 170.736,1406 511.222,1407 667.72,1408 472,1409 166,1410 476.43,1411 191.767,1412 461.367,1413 695.63,1414 429,1415 4.474}
{0 CHEMBL1082750,1 1.573,2 9.375,3 3.259,4 10.622,5 90.306,6 7.418,7 0.615,8 3.89,9 4.004,10 3.461,11 3.35,12 5.024,13 3.356,14 4.408,15 4.593,16 3.817,17 3.711,18 5.518,19 3.707,20 4.524,21 4.673,22 3.887,23 3.865,24 5.643,25 3.842,26 4.718,27 4.914,28 3.812,29 3.888,30 5.803,31 3.841,32 4.621,33 4.829,34 3.715,35 3.875,36 5.623,37 3.788,38 4.638,39 4.86,40 3.62,41 3.824,42 5.618,43 3.721,44 4.569,45 4.814,46 3.447,47 3.684,48 5.509,49 3.561,50 4.409,51 4.658,52 3.349,53 3.456,54 5.419,55 3.352,56 0.03,57 0.641,58 9.088,59 3.758,60 5.948,61 4.951,62 0.507,63 0.983,64 17.977,65 5.636,66 28.619,67 7.806,68 0.168,69 1.104,70 18.749,71 7.259,72 17.619,73 9.468,74 0.552,75 1.209,76 25.65,77 8.008,78 52.566,79 10.579,80 0.289,81 1.158,82 22.184,83 8.284,84 27.956,85 11.455,86 0.323,87 1.123,88 23.243,89 8.448,90 30.56,91 11.683,92 0.35,93 0.995,94 22.595,95 8.081,96 33.165,97 11.262,98 0.375,99 0.835,100 19.499,101 6.518,102 31.343,103 9.315,104 32,105 37,106 0.272,107 0.585,108 0.72,109 0.83,110 0.838,111 0.838,112 3.229,113 0.883,114 -3.41,115 -3.39,116 -3.24,121 40.9,126 4,144 7,145 1,146 1,148 1,153 1,155 1,161 1,163 1,176 6,179 4,180 5,182 1,187 5,189 2,192 5,200 2,203 3,206 8,208 1,214 1,216 2,219 6,221 1,227 4,229 1,231 1,232 5,239 5,244 2,246 2,251 3,255 3,256 3,264 2,269 2,281 782,282 16.008,283 16.008,284 16.008,285 16.008,286 16.008,287 14.015,288 14.857,289 9.233,290 16.593,291 12.728,292 12.728,293 12.728,294 12.728,295 12.728,296 9.592,297 14.73,298 4.254,299 13.581,300 3.887,301 2.078,302 1.294,303 0.66,304 0.614,305 0.614,306 3.905,310 1,311 1,312 1,313 472,314 3.391,317 47.245,318 138.962,321 93.982,325 1.49,326 17.126,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 52.5,338 225,339 4.708,340 3.762,341 6.885,342 4.211,343 3.278,344 4.673,345 2.208,346 11.48,347 3.067,348 4.168,349 3.339,350 6.21,351 3.753,352 2.808,353 3.786,354 0.86,355 9.157,356 2.653,357 3.91,358 2.891,359 5.818,360 3.577,361 2.642,362 3.276,363 0.655,364 7.893,365 2.449,366 3.696,367 2.655,368 5.567,369 3.275,370 2.341,371 3.003,372 0.13,373 7.042,374 2.177,375 3.393,376 2.246,377 5.2,378 2.981,379 2.038,380 2.701,382 6.194,383 1.912,384 3.007,385 1.976,386 4.558,387 2.508,388 1.533,389 2.243,391 4.105,392 1.49,393 2.805,394 1.631,395 4.312,396 2.33,397 1.393,398 1.931,400 3.849,401 1.304,402 2.611,403 1.543,404 3.625,405 2.159,406 1.204,407 1.657,409 2.708,410 1.143,411 2.377,412 1.299,413 3.51,414 1.967,415 1,416 1.33,418 2.319,419 0.949,420 2.303,421 1.063,422 3.428,423 1.911,424 0.954,425 1.19,427 2.272,428 0.907,429 1.612,430 0.771,431 2.843,432 1.296,433 0.408,434 0.475,436 0.673,437 0.359,438 1.182,439 0.664,440 2.594,441 0.745,442 -0.221,443 -0.288,445 -0.54,446 -0.209,447 0.992,448 -0.066,449 2.414,450 0.632,451 -0.306,452 -0.377,454 -0.698,455 -0.284,456 0.704,457 -0.353,458 2.371,459 0.244,460 -0.687,461 -0.907,463 -1.511,464 -0.636,465 0.651,466 -0.477,467 2.141,468 0.197,469 -0.787,470 -1,472 -2,473 -0.771,474 11.2,475 0.467,476 0.665,477 0.028,478 32,479 1.333,480 15.5,481 0.646,482 16.5,483 0.688,484 17.23,485 0.718,486 26.3,487 0.598,488 24.797,489 1.033,490 6.794,491 0.283,492 4.713,493 0.196,494 0.208,496 0.375,501 0.84,502 1.653,503 0.764,504 1.292,505 0.635,506 1.055,507 0.922,508 0.736,509 0.767,510 0.606,511 0.551,512 0.631,513 1.088,514 1.343,515 0.967,516 1.236,517 0.776,518 1.102,519 1.603,520 0.916,521 1.2,522 0.868,523 1.66,524 0.944,525 0.809,526 1.102,527 1.017,528 1.119,529 0.884,530 1.108,531 0.89,532 1.065,533 1.062,534 1.141,535 0.798,536 1.137,537 0.84,538 0.935,539 0.972,540 1.05,541 0.809,542 1.05,543 0.729,544 1.037,545 0.865,546 1.07,547 0.943,548 1.014,549 5,550 0.116,551 3.111,552 2.076,553 1.566,554 0.889,555 0.468,556 0.331,557 0.235,558 0.18,559 5781,560 15717,561 2.015,562 45.5,564 19,565 1,572 1.671,573 1.846,574 3.229,575 -0.74,576 1,577 1,579 1,582 69.208,583 1.573,584 3.382,585 4.165,586 4.8,587 4.845,588 4.845,589 2.69,590 4.252,591 4.555,592 3.368,593 929.592,594 7.873,595 10731.3,597 1,599 1,600 240.215,601 1.528,602 4.493,603 0.192,604 0.011,605 0.084,606 0.053,607 0.045,608 0.028,609 0.017,610 0.014,611 0.012,612 0.012,613 0.468,614 0.5,615 1,616 1.343,617 113.091,618 -0.022,619 -0.45,620 0.083,621 -0.232,622 -0.066,623 -0.087,624 0.194,625 0.401,626 0.197,627 0.341,628 0.165,629 0.285,630 -0.107,631 -0.242,632 -0.064,633 -0.201,634 0.022,635 -0.135,636 -0.28,637 0.097,638 -0.197,639 0.086,640 -0.249,641 -0.02,642 -0.03,643 -0.077,644 -0.095,645 -0.101,646 -0.047,647 -0.109,648 -0.036,649 -0.086,650 -0.114,651 -0.135,652 -0.04,653 -0.138,654 0.034,655 -0.023,656 0.005,657 -0.051,658 0.003,659 -0.037,660 0.235,661 -0.132,662 0.139,663 -0.101,664 0.107,665 -0.02,666 2.069,667 4.729,668 0.625,669 19.431,670 1.007,671 1.128,672 2.175,673 4.732,674 0.656,675 3.296,676 3.638,677 3.932,678 4.19,679 4.419,680 4.522,681 4.654,682 4.745,683 4.745,684 4.771,685 5.669,686 0.629,687 326.41,688 3.296,689 4.844,690 5.707,691 6.597,692 7.484,693 8.382,694 9.279,695 10.182,696 11.084,697 11.991,698 6.8,705 1,706 1,708 1,714 1,715 8,720 4,721 1,722 16,737 1,739 1,741 44,743 17,744 1,745 26,747 46,748 18,749 13,750 2,751 4,756 3,757 4,772 14,773 4,777 1,782 1,786 1,789 1,790 1,793 20,794 4,796 6,799 1,802 3,803 1,808 0.667,809 3,822 1,828 1,829 2,832 1,859 2,864 4,868 24,878 2,881 1,893 6.8,896 1,898 2,901 13,902 9.317,903 5.333,904 2.415,907 3.31,908 1.463,909 0.967,910 4.666,911 10.457,912 3.584,913 4.23,914 4.876,915 5.512,916 6.082,917 6.473,918 6.94,919 7.377,920 7.637,921 7.974,922 1,923 39,924 8.812,926 3.613,927 0.026,929 7.75,931 16.701,933 13.086,936 2.25,937 54,940 1,941 235.422,942 135.932,943 6.31,945 47.145,948 135.932,949 282.567,950 6.31,951 36.072,952 3.124,953 75.381,954 28.759,955 39.287,956 18.534,957 223.651,959 235.422,960 142.241,961 47.145,964 235.422,965 47.145,968 13.697,969 126.645,970 1.899,972 235.422,973 53.455,974 135.932,977 235.422,978 24.478,979 117.763,981 47.145,982 235.422,983 53.455,984 135.932,986 0.586,987 0.354,988 0.182,989 0.1,990 18,991 9,992 0.087,993 4,994 1,995 1.133,996 3.491,997 196.789,998 0.133,999 15,1000 106.039,1005 16.643,1006 6.729,1007 3.223,1008 1,1009 50.269,1010 15.341,1015 3.201,1016 2.065,1018 424.808,1019 35,1024 11.729,1028 -0.403,1031 44.298,1032 49.652,1034 0.288,1035 0.619,1036 0.763,1037 0.879,1038 0.888,1039 0.888,1040 4.82,1041 1.204,1042 5.714,1043 3.849,1044 4.317,1045 4.916,1046 2.456,1047 6.561,1048 4.194,1049 6.054,1050 1,1051 7.303,1052 2.708,1053 4.007,1054 4.844,1055 1.847,1056 7.545,1057 3.8,1058 7.383,1059 0.954,1060 8.993,1061 2.319,1062 5.948,1063 7.204,1064 3.559,1065 10.662,1066 5.697,1067 8.751,1068 0.408,1069 10.74,1070 2.272,1071 6.447,1072 7.975,1073 3.656,1074 12.472,1075 6.102,1076 10.153,1077 -0.221,1078 12.524,1079 0.673,1080 7.886,1081 9.83,1082 4.961,1083 15.127,1084 7.504,1085 11.58,1086 -0.306,1087 14.332,1088 -0.54,1089 8.746,1090 11.002,1091 5.37,1092 17.286,1093 8.273,1094 13.026,1095 -0.687,1096 16.159,1097 -0.698,1098 9.999,1099 12.658,1100 6.459,1101 19.789,1102 9.483,1103 3.278,1104 -0.787,1105 18,1106 -1.511,1107 11.024,1108 14.025,1109 7.028,1110 22.101,1111 10.424,1112 2.808,1113 11.48,1114 19.854,1115 -2,1116 12.211,1117 15.602,1118 7.994,1119 24.554,1120 11.56,1121 2.642,1122 9.157,1123 21.717,1124 4.673,1125 13.312,1126 17.061,1127 8.654,1128 26.935,1129 12.585,1130 2.341,1131 7.893,1132 23.588,1133 3.786,1134 14.48,1135 18.609,1136 9.549,1137 29.373,1138 13.695,1139 2.038,1140 7.042,1141 25.467,1142 3.276,1143 15.619,1144 20.11,1145 10.263,1146 31.784,1147 14.761,1148 1.533,1149 6.194,1150 27.352,1151 3.003,1152 16.785,1153 21.649,1154 11.116,1155 34.22,1156 15.865,1157 1.393,1158 4.105,1159 29.242,1160 2.701,1161 17.942,1162 23.17,1163 11.862,1164 36.645,1165 16.952,1166 5783,1167 9638,1168 16.819,1169 28.853,1170 39.562,1171 40.811,1172 41.302,1173 39.206,1174 39.197,1175 52.528,1176 7.706,1177 115.387,1178 36.824,1179 5.535,1180 5.762,1181 6.473,1182 5.275,1183 5.278,1184 7.673,1185 3.912,1186 19,1187 5.067,1188 13.896,1189 1.522,1190 1.57,1191 1.589,1192 1.508,1193 1.508,1194 2.02,1195 0.296,1196 4.438,1197 1.416,1198 4.182,1199 4.228,1200 4.152,1201 4.028,1202 7.433,1203 4.052,1204 3.868,1205 3.89,1206 3.817,1207 3.776,1208 5.037,1209 3.781,1210 3.617,1211 3.682,1212 3.529,1213 3.347,1214 4.792,1215 3.379,1216 3.459,1217 3.516,1218 3.359,1219 3.288,1220 4.524,1221 3.297,1222 3.234,1223 3.299,1224 3.074,1225 2.99,1226 4.286,1227 3.002,1228 3.075,1229 3.167,1230 2.918,1231 2.84,1232 4.18,1233 2.829,1234 3.039,1235 3.064,1236 2.835,1237 2.787,1238 4.042,1239 2.801,1240 2.874,1241 3.009,1242 2.672,1243 2.663,1244 3.8,1245 2.66,1246 0.181,1247 0.145,1248 0.265,1249 0.162,1250 0.126,1251 4.708,1252 0.18,1253 3.762,1254 0.085,1255 6.885,1256 0.442,1257 4.211,1258 0.118,1259 3.278,1260 4.673,1261 2.208,1262 11.48,1263 3.067,1264 1.916,1265 1.893,1266 2.01,1267 2.083,1268 1.131,1269 2.057,1270 1.902,1271 1.864,1272 1.99,1273 2.012,1274 1.098,1275 2.009,1276 1.531,1277 1.47,1278 1.784,1279 1.823,1280 0.835,1281 1.809,1282 1.48,1283 1.408,1284 1.696,1285 1.706,1286 0.779,1287 1.707,1288 1.182,1289 1.105,1290 1.563,1291 1.496,1292 0.571,1293 1.518,1294 1.126,1295 1.051,1296 1.417,1297 1.334,1298 0.469,1299 1.356,1300 0.934,1301 0.901,1302 1.381,1303 1.239,1304 0.462,1305 1.308,1306 0.928,1307 0.804,1308 1.14,1309 1.236,1310 0.186,1311 1.189,1312 3.97,1314 5.303,1315 2.398,1316 6.834,1317 4.844,1318 8.453,1319 7.05,1320 10.119,1322 6.941,1330 10.752,1333 1.393,1340 27.686,1341 69.208,1342 148.789,1343 183.279,1344 211.195,1345 213.195,1346 213.195,1347 32.586,1348 7.147,1349 47.06,1350 47.06,1351 17,1352 12.51,1353 4.17,1354 3.322,1355 39.204,1356 81,1357 78,1358 0.243,1359 171.669,1360 289.75,1361 410.631,1362 11051,1364 17.267,1365 0.719,1366 0.593,1367 17.267,1368 14.238,1369 11.507,1370 0.443,1371 0.294,1372 7.474,1373 10.869,1374 7.166,1375 6.062,1376 11.507,1377 7.652,1378 10.435,1379 0.282,1380 0.156,1381 10.435,1382 5.781,1383 8.959,1384 0.179,1385 0.079,1386 8.959,1387 3.961,1388 7.122,1389 0.11,1390 0.041,1391 7.122,1392 2.68,1393 5.756,1394 0.07,1395 0.022,1396 5.756,1397 1.808,1398 0.374,1399 73.456,1400 0.244,1401 23.129,1402 0.686,1403 126,1404 390.83,1405 142.709,1406 369.112,1407 508.12,1408 346,1409 150,1410 382.976,1411 167.657,1412 387.336,1413 564.99,1414 359,1415 4.688}
{0 CHEMBL1082977,1 1.343,2 9.952,3 3.835,4 14.706,5 88.907,6 6.568,7 0.522,8 3.835,9 3.98,10 3.309,11 3.362,12 4.802,13 3.316,14 4.395,15 4.608,16 3.614,17 3.749,18 5.291,19 3.664,20 4.669,21 4.927,22 3.597,23 3.869,24 5.446,25 3.735,26 4.705,27 5.007,28 3.417,29 3.752,30 5.459,31 3.591,32 4.522,33 4.826,34 3.343,35 3.613,36 5.287,37 3.481,38 4.3,39 4.545,40 3.3,41 3.543,42 5.184,43 3.434,44 4.313,45 4.58,46 3.17,47 3.503,48 5.133,49 3.363,50 4.252,51 4.54,52 3,53 3.402,54 4.973,55 3.233,56 0.048,57 0.657,58 10.091,59 3.788,60 7.509,61 5.68,62 0.233,63 1.053,64 18.386,65 6.436,66 18.376,67 9.661,68 0.174,69 1.253,70 24.295,71 8.177,72 18.985,73 12.773,74 0.297,75 1.21,76 25.806,77 7.756,78 26.671,79 12.493,80 0.221,81 1.016,82 21.456,83 6.26,84 22.384,85 10.246,86 0.16,87 0.893,88 16.866,89 5.2,90 19.084,91 8.309,92 0.157,93 0.86,94 17.093,95 5.506,96 19.379,97 8.674,98 0.119,99 0.766,100 15.966,101 5.642,102 14.945,103 8.656,104 2,105 30,106 0.237,107 0.569,108 0.756,109 0.803,110 0.814,111 0.814,112 3.102,113 1,114 -5.02,115 -4.92,116 -4.61,121 39.5,122 1,123 2,124 1,127 3,144 6,145 1,147 1,149 1,152 1,176 9,179 3,180 4,183 1,185 2,187 9,192 1,197 2,200 3,206 7,209 2,211 2,214 1,219 4,224 1,227 2,232 6,237 2,239 4,244 5,249 1,251 2,256 4,261 1,264 3,269 2,277 5,281 567,282 14.499,283 14.499,284 14.499,285 14.499,286 14.499,287 13.049,288 19.391,289 8.884,290 14.792,291 11.387,292 11.387,293 11.387,294 11.387,295 11.387,296 9.275,297 31.669,298 4.279,299 11.878,300 4.084,301 2.197,302 1.14,303 0.872,304 0.808,305 0.808,306 3.79,310 1,311 1,312 1,313 451,314 2.121,318 208.102,325 1.578,326 9.784,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 44,338 209,339 4.175,340 3.134,341 6.173,342 3.825,343 2.908,344 3.73,345 0.8,346 9.19,347 2.673,348 3.899,349 2.806,350 5.41,351 3.541,352 2.562,353 3.442,354 0.657,355 7.149,356 2.517,357 3.629,358 2.513,359 5.249,360 3.391,361 2.414,362 2.832,364 6.702,365 2.353,366 3.302,367 2.259,368 5.013,369 3.135,370 2.176,371 2.363,373 5.994,374 2.074,375 2.926,376 1.675,377 4.256,378 2.517,379 1.545,380 2.092,382 3.914,383 1.506,384 2.764,385 1.52,386 3.635,387 2.357,388 1.414,389 1.854,391 3.131,392 1.326,393 2.5,394 1.151,395 3.482,396 2.052,397 1.106,398 1.5,400 2.546,401 1.043,402 2.466,403 1.077,404 3.414,405 2,406 1,407 1.458,409 2.275,410 1,411 2,412 1,413 3.247,414 1.984,415 1,416 1,418 2.136,419 0.983,420 1.821,421 0.789,422 3.08,423 1.537,424 0.601,425 0.712,427 1.403,428 0.561,429 0.985,430 -0.094,431 2.538,432 0.826,433 -0.15,434 -0.159,436 -0.333,437 -0.146,438 0.88,439 -0.191,440 2.297,441 0.548,442 -0.414,443 -0.517,445 -1.003,446 -0.397,447 0.569,448 -0.675,449 2,450 0.165,451 -0.779,452 -0.97,454 -1.774,455 -0.732,456 0.529,457 -0.784,458 1.735,459 0.066,460 -0.883,461 -1,463 -2.337,464 -0.839,465 0.5,466 -0.793,467 1.622,469 -1,470 -1.177,472 -2.347,473 -0.946,474 10.1,475 0.481,476 0.362,477 0.017,478 26.75,479 1.274,480 13,481 0.619,482 13.75,483 0.655,484 16.056,485 0.765,486 22.9,487 0.533,488 15.645,489 0.745,490 4.964,491 0.236,492 5.345,493 0.255,494 0.05,496 0.238,501 0.973,502 1.493,503 0.912,504 1.189,505 0.858,506 1.069,507 0.949,508 1.037,509 1.017,510 1.047,511 0.732,512 1.04,513 1.056,514 1.262,515 1.032,516 1.142,517 0.919,518 1.095,519 1.267,520 0.946,521 1.028,522 0.914,523 1.279,524 0.942,525 1.448,526 0.823,527 0.907,528 0.701,529 1.274,530 0.742,531 1.585,532 1.109,533 1.175,534 1.018,535 1.421,536 1.05,537 1.383,538 1.009,539 1.133,540 0.994,541 1.354,542 1.031,543 0.898,544 0.98,545 0.968,546 0.996,547 0.813,548 0.99,549 3.5,550 0.049,551 1.778,552 0.563,553 0.716,554 0.486,555 0.182,556 0.233,557 0.131,558 0.02,559 4825,560 9455,561 2.131,562 51.2,563 4,564 12,566 1,567 1,569 4,572 1.627,573 2.066,574 3.317,575 -0.338,577 1,579 1,582 57.735,583 1.343,584 3.229,585 4.286,586 4.554,587 4.618,588 4.618,589 2.761,590 4.011,591 4.364,592 3.43,593 720.208,594 7.454,595 7827.19,597 1,599 1,600 233.329,601 1.049,602 4.355,603 0.152,604 0.005,605 0.059,606 0.02,607 0.033,608 0.022,609 0.009,610 0.013,611 0.009,612 0.002,613 0.324,614 0.5,615 1,616 0.418,617 96.294,618 0.031,619 -0.25,620 0.07,621 -0.081,622 0.073,623 -0.015,624 0.263,625 0.111,626 -0.017,627 -0.037,628 0.242,629 -0.052,630 -0.029,631 -0.248,632 -0.052,633 -0.158,634 0.011,635 -0.116,636 0.003,637 0.014,638 -0.022,639 -0.011,640 -0.089,641 -0.018,642 -0.144,643 0.144,644 0.105,645 0.2,646 -0.081,647 0.181,648 -0.263,649 -0.019,650 -0.166,651 -0.062,652 -0.17,653 -0.098,654 -0.219,655 0.015,656 -0.14,657 -0.037,658 -0.159,659 -0.073,660 -0.036,661 -0.044,662 -0.003,663 -0.014,664 0.056,665 -0.007,666 0.819,667 1.64,668 0.857,669 17.333,670 0.985,671 1.133,672 3.793,673 14.385,674 0.648,675 3.178,676 3.434,677 3.638,678 3.829,679 4.06,680 3.97,681 4.025,682 4.094,683 4.143,684 4.143,685 5.812,686 0.601,687 282.43,688 3.178,689 4.673,690 5.485,691 6.319,692 7.146,693 7.984,694 8.817,695 9.658,696 10.494,697 11.337,698 9.3,703 1,704 1,708 2,715 7,716 2,720 3,722 12,734 1,736 1,741 43,743 12,744 1,745 23,747 45,748 17,749 10,750 1,751 5,756 3,757 3,763 1,767 2,768 1,770 2,772 10,773 7,774 1,790 1,793 22,794 4,795 1,796 4,802 4,808 1,823 1,829 3,859 3,864 1,868 21,876 5,877 1,880 1,881 1,901 10.167,902 7.767,903 4.694,904 2.751,907 2.161,908 1.325,909 0.974,910 4.588,911 8.807,912 3.401,913 3.892,914 4.357,915 4.822,916 5.305,917 5.206,918 5.464,919 5.725,920 6.054,921 6.309,922 0.857,923 28,924 7.762,926 3.173,927 0.026,929 7.421,931 15.423,933 12.594,936 1.921,937 40.333,938 0.001,940 1,941 247.193,942 93.529,943 54.706,948 93.529,949 247.193,950 54.706,951 8.825,952 11.386,953 56.857,954 63.353,955 15.357,956 4.227,957 235.422,959 247.193,960 148.235,964 200.109,965 47.084,968 31.158,969 65.495,970 51.582,972 247.193,973 54.706,974 93.529,977 247.193,978 18.799,979 77.854,980 18.011,981 33.571,982 247.193,983 54.706,984 93.529,986 0.566,987 0.316,988 0.165,989 0.095,990 14,991 5,992 0.089,993 4,995 1,996 3.511,997 152.485,999 18,1000 84.239,1005 14.183,1006 6.794,1007 3.871,1009 54.706,1010 14.132,1011 9.058,1015 2.992,1017 18.011,1018 395.428,1019 29,1031 42.36,1032 48.73,1034 0.247,1035 0.595,1036 0.79,1037 0.839,1038 0.851,1039 0.851,1040 4.595,1041 1,1042 5.416,1043 2.546,1044 4.111,1045 4.575,1046 1.038,1047 6.116,1048 4.025,1049 5.728,1050 1,1051 6.899,1052 2.275,1053 3.434,1054 3.98,1055 0.325,1056 6.763,1057 3.281,1058 6.972,1059 0.601,1060 8.477,1061 2.136,1062 5.595,1063 6.581,1064 0.607,1065 9.81,1066 5.409,1067 8.245,1068 -0.15,1069 10.112,1070 1.403,1071 5.74,1072 6.779,1073 0.268,1074 11.312,1075 5.465,1076 9.55,1077 -0.414,1078 11.786,1079 -0.333,1080 7.326,1081 8.855,1082 0.359,1083 13.83,1084 7.025,1085 10.875,1086 -0.779,1087 13.486,1088 -1.003,1089 7.881,1090 9.458,1091 0.188,1092 15.708,1093 7.479,1094 12.216,1095 -0.883,1096 15.207,1097 -1.774,1098 9.191,1099 11.258,1100 0.214,1101 18.032,1102 8.758,1103 2.908,1104 -1,1105 16.942,1106 -2.337,1107 9.969,1108 12.1,1109 0.125,1110 20.087,1111 9.428,1112 2.562,1113 9.19,1114 18.689,1115 -2.347,1116 11.142,1117 13.733,1118 0.129,1119 22.339,1120 10.559,1121 2.414,1122 7.149,1123 20.446,1124 3.73,1125 12.043,1126 14.727,1127 0.082,1128 24.479,1129 11.352,1130 2.176,1131 6.702,1132 22.211,1133 3.442,1134 13.148,1135 16.251,1136 0.079,1137 26.704,1138 12.404,1139 1.545,1140 5.994,1141 23.983,1142 2.832,1143 14.118,1144 17.346,1145 0.054,1146 28.884,1147 13.268,1148 1.414,1149 3.914,1150 25.761,1151 2.363,1152 15.193,1153 18.797,1154 0.048,1155 31.102,1156 14.277,1157 1.106,1158 3.131,1159 27.545,1160 2.092,1161 16.201,1162 19.961,1163 0.035,1164 33.301,1165 15.183,1166 4625,1167 6592,1168 15.89,1169 27.875,1170 33.748,1171 33.52,1172 33.747,1173 33.461,1174 33.453,1175 41.965,1176 2.915,1177 88.88,1178 32.069,1179 5.175,1180 5.134,1181 5.975,1182 4.897,1183 4.908,1184 6.73,1185 1.457,1186 15.403,1187 4.673,1188 5.92,1189 1.467,1190 1.457,1191 1.467,1192 1.455,1193 1.454,1194 1.825,1195 0.127,1196 3.864,1197 1.394,1198 3.966,1199 4.022,1200 3.899,1201 3.862,1202 4.999,1203 3.859,1204 3.881,1205 3.925,1206 3.8,1207 3.755,1208 4.749,1209 3.76,1210 3.739,1211 3.796,1212 3.634,1213 3.594,1214 4.311,1215 3.602,1216 3.292,1217 3.381,1218 3.154,1219 3.087,1220 4.153,1221 3.09,1222 3.188,1223 3.279,1224 3.008,1225 3.001,1226 3.885,1227 2.99,1228 3.111,1229 3.206,1230 2.866,1231 2.941,1232 3.731,1233 2.91,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 3.674,1239 2.715,1240 2.764,1241 2.862,1242 2.634,1243 2.556,1244 3.545,1245 2.56,1246 0.182,1247 0.136,1248 0.268,1249 0.166,1250 0.126,1251 4.175,1252 0.162,1253 3.134,1254 0.035,1255 6.173,1256 0.4,1257 3.825,1258 0.116,1259 2.908,1260 3.73,1261 0.8,1262 9.19,1263 2.673,1264 1.917,1265 1.884,1266 2.073,1267 2.066,1268 1.428,1269 2.066,1270 1.867,1271 1.809,1272 2.041,1273 1.998,1274 1.154,1275 2.016,1276 1.702,1277 1.65,1278 1.821,1279 1.876,1280 0.845,1281 1.871,1282 1.264,1283 1.181,1284 1.575,1285 1.516,1286 0.825,1287 1.537,1288 1.191,1289 1.107,1290 1.513,1291 1.426,1292 0.741,1293 1.453,1294 1.153,1295 1.064,1296 1.481,1297 1.376,1298 0.608,1299 1.429,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.303,1305 1.107,1306 0.756,1307 0.662,1308 1.117,1309 1.03,1310 0.218,1311 1.068,1312 3.85,1314 5.118,1316 6.586,1318 8.136,1320 9.724,1322 2.316,1328 5.358,1329 3.371,1332 0.82,1333 2.285,1340 25.827,1341 57.735,1342 138.865,1343 184.31,1344 195.82,1345 198.574,1346 198.574,1347 23.82,1348 6.646,1349 41.05,1350 41.05,1351 18,1352 11.902,1353 3.7,1354 2.807,1355 32.322,1356 73,1357 67,1358 0.216,1359 161.273,1360 271.94,1361 385.266,1362 6528,1364 14.493,1365 0.69,1366 0.595,1367 14.493,1368 12.496,1369 10.31,1370 0.448,1371 0.333,1372 7.589,1373 10.016,1374 7.388,1375 6.178,1376 10.31,1377 7.669,1378 8.894,1379 0.296,1380 0.192,1381 8.894,1382 5.751,1383 7.258,1384 0.196,1385 0.109,1386 7.258,1387 4.026,1388 5.727,1389 0.127,1390 0.058,1391 5.727,1392 2.596,1393 4.806,1394 0.084,1395 0.034,1396 4.806,1397 1.917,1398 0.342,1399 63.749,1400 0.251,1401 21.185,1402 0.581,1403 106,1404 245.268,1405 114.132,1406 244.747,1407 344.51,1408 232,1409 120,1410 260.789,1411 128.659,1412 266.176,1413 385.46,1414 251,1415 4.735}
{0 CHEMBL1082978,1 1.361,2 9.55,3 3.448,4 11.889,5 84.512,6 6.71,7 0.545,8 3.771,9 3.914,10 3.266,11 3.299,12 4.747,13 3.259,14 4.323,15 4.532,16 3.554,17 3.674,18 5.24,19 3.593,20 4.563,21 4.836,22 3.45,23 3.724,24 5.339,25 3.59,26 4.464,27 4.751,28 3.333,29 3.573,30 5.278,31 3.444,32 4.335,33 4.599,34 3.226,35 3.522,36 5.159,37 3.396,38 4.296,39 4.568,40 3.13,41 3.462,42 5.077,43 3.317,44 4.208,45 4.495,46 2.99,47 3.363,48 4.969,49 3.211,50 4.099,51 4.381,52 2.914,53 3.282,54 4.83,55 3.119,56 0.042,57 0.619,58 9.214,59 3.456,60 6.384,61 5.152,62 0.223,63 0.987,64 16.875,65 5.846,66 16.909,67 8.748,68 0.178,69 1.107,70 21.999,71 7.121,72 17.842,73 11.201,74 0.246,75 0.991,76 20.241,77 6.041,78 22.281,79 9.661,80 0.179,81 0.896,82 17.543,83 5.33,84 18.783,85 8.495,86 0.147,87 0.838,88 16.806,89 5.462,90 16.048,91 8.553,92 0.148,93 0.747,94 15.469,95 5.048,96 15.887,97 7.873,98 0.083,99 0.662,100 13.605,101 5.106,102 12.197,103 7.682,105 28,106 0.244,107 0.564,108 0.721,109 0.797,110 0.81,111 0.81,112 3.056,113 0.992,114 -4.78,115 -4.69,116 -4.41,121 40,123 3,127 3,144 6,145 1,147 1,149 1,152 1,176 8,179 3,180 4,183 1,185 2,187 8,197 1,200 5,206 6,209 2,211 2,214 2,219 1,224 2,227 1,232 4,237 3,239 4,244 4,251 2,256 5,264 3,269 4,277 2,281 512,282 14.052,283 14.052,284 14.052,285 14.052,286 14.052,287 12.602,288 19.391,289 8.784,290 14.353,291 10.921,292 10.921,293 10.921,294 10.921,295 10.921,296 8.809,297 28.813,298 4.22,299 11.424,300 3.961,301 2.173,302 1.294,303 0.869,304 0.8,305 0.8,306 3.744,310 1,311 1,312 1,313 417,314 2.236,317 54.43,318 137.159,325 1.495,326 9.158,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 42,338 191,339 4.173,340 3.13,341 6.171,342 3.812,343 2.9,344 3.728,345 0.8,346 9.181,347 2.647,348 3.897,349 2.743,350 5.357,351 3.525,352 2.531,353 3.444,354 0.4,355 7.002,356 2.518,357 3.614,358 2.565,359 5.297,360 3.327,361 2.385,362 2.829,364 6.824,365 2.241,366 2.984,367 1.871,368 4.411,369 2.71,370 1.765,371 2.119,373 4.417,374 1.667,375 2.919,376 1.621,377 3.679,378 2.531,379 1.538,380 2.038,382 3.23,383 1.526,384 2.647,385 1.32,386 3.512,387 2.211,388 1.255,389 1.701,391 2.708,392 1.197,393 2.5,394 1.089,395 3.305,396 2,397 1,398 1.5,400 2.213,401 1,402 2.208,403 1,404 3.247,405 1.952,406 1,407 1.172,409 2.136,410 0.949,411 1.919,412 0.891,413 3.226,414 1.738,415 0.79,416 0.874,418 1.903,419 0.747,420 1.618,421 0.744,422 3,423 1.591,424 0.618,425 0.618,427 1.372,428 0.6,429 1.217,430 0.204,431 2.619,432 0.956,438 0.771,439 -0.43,440 2.267,441 0.368,442 -0.59,443 -0.75,445 -1.349,446 -0.561,447 0.637,448 -0.614,449 1.897,450 0.194,451 -0.74,452 -0.924,454 -1.865,455 -0.691,456 0.5,457 -0.955,458 1.556,460 -1,461 -1.325,463 -2.347,464 -0.966,465 0.382,466 -1,467 1.555,468 -0.035,469 -1,470 -1.5,472 -2.419,473 -1,474 9.6,475 0.48,476 0.256,477 0.013,478 26.25,479 1.313,480 13,481 0.65,482 13.25,483 0.663,484 13.776,485 0.689,486 21.6,487 0.54,488 14.988,489 0.749,490 4.989,491 0.249,492 4.927,493 0.246,496 0.198,501 0.974,502 1.491,503 0.886,504 1.172,505 0.788,506 1.045,507 0.966,508 1.055,509 1.044,510 1.075,511 0.767,512 1.069,513 1.131,514 1.143,515 1.008,516 1.038,517 0.998,518 1.015,519 1.27,520 0.934,521 1.001,522 0.881,523 1.468,524 0.907,525 1.558,526 1.011,527 1.187,528 0.978,529 1.631,530 1.033,531 1.227,532 1.065,533 1.098,534 1.04,535 1.075,536 1.053,537 1.242,538 0.841,539 1.044,540 0.876,541 1.071,542 0.929,543 0.606,544 1.019,545 0.869,546 1.03,547 0.618,548 0.986,549 2.5,550 0.011,551 1.333,552 0.465,553 0.423,554 0.361,555 0.16,556 0.048,557 0.113,558 0.057,559 4451,560 9113,561 2.169,562 50,564 12,566 1,567 1,569 6,572 1.611,573 2.143,574 3.269,575 -0.32,577 1,579 1,582 54.439,583 1.361,584 3.149,585 4.028,586 4.453,587 4.522,588 4.522,589 2.709,590 3.622,591 4.296,592 3.408,593 647.429,594 7.304,595 6909.82,596 1,597 1,598 1,599 1,600 212.877,601 0.722,602 4.3,603 0.114,604 0.001,605 0.048,606 0.019,607 0.02,608 0.019,609 0.009,610 0.003,611 0.008,612 0.005,613 0.246,614 0.5,615 1,617 90.636,618 0.021,619 -0.262,620 0.071,621 -0.086,622 0.116,623 -0.016,624 0.247,625 0.088,626 -0.059,627 -0.08,628 0.211,629 -0.098,630 -0.065,631 -0.159,632 -0.024,633 -0.081,634 -0.018,635 -0.054,636 0.021,637 0.056,638 0.009,639 0.029,640 -0.159,641 0.02,642 -0.29,643 0.028,644 -0.188,645 -0.044,646 -0.383,647 -0.095,648 -0.153,649 -0.077,650 -0.116,651 -0.084,652 -0.107,653 -0.094,654 -0.189,655 0.122,656 -0.06,657 0.075,658 -0.049,659 0.03,660 0.079,661 -0.11,662 0.081,663 -0.017,664 0.219,665 0.024,666 0.813,667 1.59,668 0.85,669 15.76,670 0.987,671 1.133,672 3.549,673 12.599,674 0.653,675 3.135,676 3.367,677 3.584,678 3.784,679 3.871,680 3.807,681 3.85,682 3.871,683 3.871,684 3.892,685 5.799,686 0.608,687 268.4,688 3.135,689 4.615,690 5.425,691 6.252,692 7.074,693 7.907,694 8.733,695 9.568,696 10.398,697 11.235,698 10,703 1,704 1,708 2,715 7,716 2,720 3,722 12,734 1,736 1,741 40,743 12,744 1,745 22,747 42,748 16,749 10,750 1,751 5,756 3,757 3,767 2,770 3,772 10,773 6,789 1,790 1,793 20,794 4,795 1,796 4,802 4,808 1,823 1,825 1,828 1,829 2,859 3,868 20,876 6,877 1,881 1,901 9.333,902 6.933,903 4.528,904 2.585,907 2.13,908 1.329,909 0.99,910 4.365,911 8.595,912 3.367,913 3.85,914 4.331,915 4.806,916 5.238,917 5.096,918 5.279,919 5.423,920 5.621,921 5.921,922 1,923 24,924 7.389,926 3.018,927 0.026,929 7.425,931 14.667,933 11.901,936 1.925,937 38.5,938 0.002,941 223.651,942 87.238,943 54.706,948 87.238,949 223.651,950 54.706,952 13.921,953 56.857,954 63.353,955 15.357,956 4.227,957 211.88,959 223.651,960 141.944,964 153.024,965 70.627,968 24.867,969 65.495,970 51.582,972 223.651,973 54.706,974 87.238,977 223.651,978 21.333,979 69.029,980 18.011,981 33.571,982 223.651,983 54.706,984 87.238,986 0.555,987 0.316,988 0.173,989 0.084,990 13,991 4,992 0.119,993 5,995 1,996 3.494,997 140.075,999 17,1000 78.439,1005 13.228,1006 6.599,1007 3.635,1009 54.706,1010 14.269,1011 8.952,1015 3.11,1017 18.011,1018 365.595,1019 28,1031 39.476,1032 45.315,1034 0.256,1035 0.592,1036 0.757,1037 0.837,1038 0.85,1039 0.85,1040 4.543,1041 1,1042 5.333,1043 2.213,1044 4.043,1045 4.533,1046 0.824,1047 6.019,1048 3.951,1049 5.665,1050 0.79,1051 6.799,1052 2.136,1053 3.219,1054 3.861,1055 0.325,1056 6.629,1057 3.026,1058 6.901,1059 0.618,1060 8.366,1061 1.903,1062 5.501,1063 6.548,1064 0.413,1065 9.716,1066 5.297,1067 8.174,1069 9.998,1070 1.372,1071 5.602,1072 6.732,1073 0.268,1074 11.246,1075 5.275,1076 9.481,1077 -0.59,1078 11.674,1080 7.223,1081 8.833,1082 0.246,1083 13.763,1084 6.89,1085 10.81,1086 -0.74,1087 13.381,1088 -1.349,1089 7.775,1090 9.437,1091 0.188,1092 15.668,1093 7.314,1094 12.157,1095 -1,1096 15.11,1097 -1.865,1098 9.093,1099 11.246,1100 0.157,1101 17.989,1102 8.613,1103 2.9,1104 -1,1105 16.854,1106 -2.347,1107 9.879,1108 12.09,1109 0.125,1110 20.059,1111 9.273,1112 2.531,1113 9.181,1114 18.61,1115 -2.419,1116 11.052,1117 13.726,1118 0.102,1119 22.31,1120 10.411,1121 2.385,1122 7.002,1123 20.376,1124 3.728,1125 11.962,1126 14.721,1127 0.082,1128 24.456,1129 11.2,1130 1.765,1131 6.824,1132 22.149,1133 3.444,1134 13.066,1135 16.246,1136 0.067,1137 26.682,1138 12.253,1139 1.538,1140 4.417,1141 23.929,1142 2.829,1143 14.043,1144 17.341,1145 0.054,1146 28.864,1147 13.115,1148 1.255,1149 3.23,1150 25.714,1151 2.119,1152 15.116,1153 18.793,1154 0.043,1155 31.082,1156 14.122,1157 1,1158 2.708,1159 27.503,1160 2.038,1161 16.129,1162 19.956,1163 0.035,1164 33.282,1165 15.025,1166 4219,1167 6134,1168 15.485,1169 26.114,1170 31.501,1171 31.676,1172 31.645,1173 31.615,1174 31.565,1175 40.045,1176 2.4,1177 81.971,1178 30.187,1179 5.076,1180 5.13,1181 5.973,1182 4.886,1183 4.9,1184 6.728,1185 1.2,1186 15.408,1187 4.647,1189 1.432,1190 1.44,1191 1.438,1192 1.437,1193 1.435,1194 1.82,1195 0.109,1196 3.726,1197 1.372,1198 3.959,1199 4.015,1200 3.89,1201 3.867,1202 4.998,1203 3.861,1204 3.888,1205 3.932,1206 3.815,1207 3.733,1208 4.75,1209 3.751,1210 3.706,1211 3.771,1212 3.587,1213 3.553,1214 4.282,1215 3.555,1216 3.409,1217 3.487,1218 3.257,1219 3.247,1220 4.171,1221 3.237,1222 2.924,1223 3.008,1224 2.808,1225 2.735,1226 3.843,1227 2.734,1228 2.869,1229 2.979,1230 2.704,1231 2.72,1232 3.691,1233 2.715,1234 2.854,1235 2.932,1236 2.687,1237 2.671,1238 3.674,1239 2.648,1240 2.843,1241 2.925,1242 2.583,1243 2.643,1244 3.425,1245 2.635,1246 0.19,1247 0.142,1248 0.28,1249 0.173,1250 0.132,1251 4.173,1252 0.169,1253 3.13,1254 0.036,1255 6.171,1256 0.417,1257 3.812,1258 0.12,1259 2.9,1260 3.728,1261 0.8,1262 9.181,1263 2.647,1264 1.922,1265 1.891,1266 2.058,1267 2.027,1268 1.23,1269 2.034,1270 1.766,1271 1.712,1272 1.868,1273 1.96,1274 1.211,1275 1.941,1276 1.577,1277 1.507,1278 1.86,1279 1.751,1280 1.001,1281 1.793,1282 1.447,1283 1.371,1284 1.696,1285 1.679,1286 0.902,1287 1.69,1288 1.342,1289 1.268,1290 1.6,1291 1.55,1292 0.72,1293 1.573,1294 0.886,1295 0.821,1296 1.181,1297 1.115,1298 0.267,1299 1.131,1300 0.862,1301 0.783,1302 1.148,1303 1.062,1304 0.218,1305 1.107,1306 0.593,1307 0.517,1308 0.883,1309 0.845,1310 0.094,1311 0.853,1312 3.807,1314 5.056,1315 2.398,1316 6.497,1317 4.443,1318 8.021,1319 6.293,1320 9.588,1328 6.537,1329 3.379,1333 2.252,1340 24.3,1341 54.439,1342 125.941,1343 161.103,1344 178.122,1345 180.877,1346 180.877,1347 20.969,1348 6.465,1349 41.05,1350 41.05,1351 17,1352 11.804,1353 3.7,1354 2.807,1355 30.184,1356 69,1357 62,1358 0.209,1359 151.681,1360 254.64,1361 361.86,1362 5287,1364 13.623,1365 0.681,1366 0.581,1367 13.623,1368 11.626,1369 9.916,1370 0.451,1371 0.331,1372 7.195,1373 9.618,1374 7.066,1375 5.872,1376 9.916,1377 7.275,1378 8.272,1379 0.295,1380 0.182,1381 8.272,1382 5.098,1383 6.839,1384 0.195,1385 0.103,1386 6.839,1387 3.594,1388 5.623,1389 0.131,1390 0.058,1391 5.623,1392 2.496,1393 4.041,1394 0.086,1395 0.029,1396 4.041,1397 1.369,1398 0.334,1399 61.386,1400 0.254,1401 20.444,1402 0.552,1403 100,1404 239.268,1405 108.132,1406 237.856,1407 335.27,1408 226,1409 113,1410 253.789,1411 121.493,1412 257.651,1413 373.51,1414 244,1415 5.009}
{0 CHEMBL1082979,1 1.493,2 10.143,3 3.419,4 11.692,5 92.22,6 7.329,7 0.522,8 3.797,9 3.931,10 3.419,11 3.381,12 4.775,13 3.311,14 4.342,15 4.537,16 3.685,17 3.754,18 5.264,19 3.636,20 4.563,21 4.811,22 3.615,23 3.804,24 5.365,25 3.665,26 4.521,27 4.791,28 3.445,29 3.682,30 5.333,31 3.536,32 4.454,33 4.731,34 3.449,35 3.613,36 5.263,37 3.472,38 4.325,39 4.587,40 3.34,41 3.56,42 5.118,43 3.4,44 4.257,45 4.53,46 3.254,47 3.471,48 5.036,49 3.303,50 4.149,51 4.419,52 3.071,53 3.386,54 4.88,55 3.196,56 0.038,57 0.643,58 9.57,59 3.863,60 6.19,61 5.234,62 0.233,63 1.053,64 20.72,65 7.073,66 17.306,67 9.099,68 0.197,69 1.197,70 25.779,71 8.132,72 17.712,73 11.317,74 0.243,75 1.104,76 21.684,77 7.107,78 21.649,79 10.463,80 0.227,81 1.035,82 21.783,83 6.322,84 21.723,85 9.592,86 0.149,87 0.911,88 18.356,89 6.314,90 16.307,91 8.964,92 0.17,93 0.843,94 18.695,95 5.914,96 16.669,97 8.375,98 0.092,99 0.733,100 16.804,101 6.196,102 12.54,103 8.361,105 29,106 0.266,107 0.577,108 0.729,109 0.803,110 0.815,111 0.815,112 3.102,113 1.11,114 -4.78,115 -4.69,116 -4.41,121 39,123 1,127 5,144 6,145 1,147 1,149 1,152 1,176 7,179 3,180 2,183 1,185 2,187 8,192 1,197 1,200 5,206 2,209 2,211 2,214 2,219 3,224 2,227 1,232 4,237 1,239 2,244 4,249 1,251 3,256 5,264 1,269 4,277 1,281 593,282 14.759,283 14.759,284 14.759,285 14.759,286 14.759,287 13.309,288 18.486,289 9.284,290 15.31,291 11.421,292 11.421,293 11.421,294 11.421,295 11.421,296 9.309,297 27.474,298 4.47,299 12.277,300 3.864,301 2.12,302 1.263,303 0.848,304 0.78,305 0.78,306 3.793,310 1,311 1,312 1,313 462,314 2.236,318 211.892,325 1.578,326 9.665,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 44,338 213,339 4.17,340 4.216,341 6.168,342 3.802,343 2.893,344 3.727,345 2.95,346 9.174,347 2.63,348 3.897,349 3.078,350 5.357,351 3.524,352 2.531,353 3.444,354 0.8,355 7.001,356 2.517,357 3.606,358 2.739,359 5.296,360 3.312,361 2.379,362 2.823,363 0.4,364 6.819,365 2.212,366 2.985,367 2.538,368 4.396,369 2.677,370 1.796,371 2.118,373 4.388,374 1.596,375 2.921,376 2.427,377 3.681,378 2.528,379 1.547,380 2.036,382 3.235,383 1.499,384 2.667,385 1.737,386 3.549,387 2.224,388 1.319,389 1.724,391 2.855,392 1.185,393 2.5,394 1.579,395 3.429,396 2,397 1,398 1.5,400 2.395,401 1,402 2.221,403 1.204,404 3.288,405 1.952,406 1,407 1.188,409 2.211,410 0.95,411 2.179,412 1.081,413 3.247,414 1.938,415 1,416 1.143,418 2.136,419 0.924,420 2,421 1,422 3.247,423 1.865,424 1,425 1,427 2.136,428 0.846,429 1.218,430 0.381,431 2.623,432 0.956,438 0.803,439 0.204,440 2.402,441 0.429,442 -0.494,443 -0.568,445 -1.153,446 -0.452,447 0.684,448 -0.242,449 1.897,450 0.308,451 -0.644,452 -0.795,454 -1.505,455 -0.613,456 0.5,457 -0.458,458 1.588,460 -1,461 -1,463 -2.179,464 -0.783,465 0.386,466 -0.866,467 1.555,468 -0.034,469 -1,470 -1.22,472 -2.347,473 -0.923,474 10.433,475 0.497,476 0.256,477 0.012,478 26.75,479 1.274,480 13,481 0.619,482 13.75,483 0.655,484 16.125,485 0.768,486 22.567,487 0.55,488 14.827,489 0.706,490 4.698,491 0.224,492 5.718,493 0.272,496 0.182,501 0.962,502 1.382,503 0.793,504 1.004,505 0.789,506 0.988,507 1.043,508 1.065,509 1.289,510 1.196,511 0.81,512 1.081,513 1.199,514 1.202,515 1.104,516 1.121,517 1.053,518 1.043,519 1.218,520 0.974,521 0.81,522 0.839,523 1.443,524 1.006,525 1.367,526 0.96,527 0.806,528 0.802,529 1.512,530 0.894,531 1.187,532 0.983,533 0.851,534 0.86,535 1.063,536 0.99,537 1.216,538 0.877,539 0.94,540 0.868,541 1.067,542 0.913,543 0.642,544 1.013,545 0.945,546 1.041,547 0.635,548 1.006,549 2.5,550 0.008,551 1.333,552 0.625,553 0.364,554 0.431,555 0.18,556 0.05,557 0.114,558 0.067,559 5049,560 11735,561 2.161,562 48.8,564 16,566 1,567 1,569 2,572 1.626,573 2.136,574 3.347,575 -0.291,577 1,579 1,582 61.221,583 1.493,584 3.237,585 4.095,586 4.51,587 4.577,588 4.577,589 2.761,590 3.69,591 4.365,592 3.473,593 729.38,594 7.448,595 8073.2,596 1,597 1,599 1,600 219.66,601 0.702,602 4.371,603 0.109,604 0.001,605 0.046,606 0.023,607 0.017,608 0.021,609 0.009,610 0.003,611 0.008,612 0.005,613 0.241,614 0.17,615 1,617 96.986,618 0.012,619 -0.212,620 0.085,621 -0.017,622 0.106,623 -0.003,624 0.183,625 0.08,626 -0.16,627 -0.123,628 0.178,629 -0.111,630 -0.086,631 -0.189,632 -0.111,633 -0.153,634 -0.063,635 -0.085,636 -0.017,637 -0.004,638 -0.05,639 -0.044,640 -0.188,641 -0.094,642 -0.125,643 0.014,644 0.039,645 0.036,646 -0.239,647 0.024,648 -0.142,649 -0.014,650 -0.009,651 0.018,652 -0.095,653 -0.043,654 -0.137,655 0.092,656 0.011,657 0.067,658 -0.029,659 0.043,660 0.057,661 -0.108,662 0.01,663 -0.042,664 0.2,665 0.004,666 0.819,667 1.622,668 0.857,669 17.392,670 0.989,671 1.128,672 3.549,673 12.599,674 0.677,675 3.178,676 3.401,677 3.611,678 3.807,679 3.989,680 3.85,681 3.932,682 3.951,683 3.989,684 4.007,685 6.017,686 0.622,687 300.47,688 3.178,689 4.654,690 5.46,691 6.282,692 7.101,693 7.93,694 8.754,695 9.585,696 10.412,697 11.246,698 9.8,703 1,704 1,708 2,715 7,716 2,720 3,722 12,734 1,736 1,741 41,743 12,744 1,745 23,747 43,748 16,749 10,750 1,751 5,756 3,757 3,770 1,772 10,773 6,789 1,790 1,793 20,794 4,795 1,796 5,797 1,802 4,808 1,823 1,829 3,859 3,860 1,862 1,868 21,876 6,877 1,879 1,881 1,901 9.833,902 7.1,903 4.778,904 2.501,907 2.127,908 1.323,909 0.986,910 5.221,911 8.721,912 3.401,913 3.871,914 4.344,915 4.814,916 5.269,917 5.108,918 5.309,919 5.462,920 5.684,921 5.985,922 0.857,923 27,924 7.76,926 3.156,927 0.026,929 7.421,931 15.405,933 12.44,936 1.921,937 40.333,938 0.001,940 1,941 223.651,942 116.188,943 54.706,947 32.22,948 83.969,949 223.651,950 54.706,952 10.651,953 56.857,954 63.353,955 15.357,956 4.227,957 244.099,959 223.651,960 138.675,962 32.22,964 200.109,965 23.542,968 21.598,969 65.495,970 51.582,971 32.22,972 223.651,973 54.706,974 116.188,977 223.651,978 50.283,979 69.029,980 18.011,981 33.571,982 223.651,983 54.706,984 116.188,986 0.553,987 0.313,988 0.171,989 0.093,990 13,991 4,992 0.116,993 5,995 1,996 3.58,997 149.557,999 18,1000 84.239,1001 1,1005 14.519,1006 7.552,1007 4.274,1009 54.706,1010 14.28,1011 9.017,1015 3.099,1017 18.011,1018 394.545,1019 29,1031 40.552,1032 46.235,1034 0.279,1035 0.604,1036 0.764,1037 0.842,1038 0.854,1039 0.854,1040 4.575,1041 1,1042 5.361,1043 2.395,1044 4.078,1045 4.554,1046 2.98,1047 6.038,1048 3.947,1049 5.689,1050 1,1051 6.821,1052 2.211,1053 3.219,1054 3.861,1055 0.325,1056 6.629,1057 3.026,1058 6.92,1059 1,1060 8.382,1061 2.136,1062 5.525,1063 6.556,1064 5.03,1065 9.721,1066 5.272,1067 8.186,1069 10.009,1070 2.136,1071 5.565,1072 6.72,1073 0.268,1074 11.237,1075 5.233,1076 9.487,1077 -0.494,1078 11.681,1080 7.238,1081 8.836,1082 7.185,1083 13.763,1084 6.856,1085 10.812,1086 -0.644,1087 13.384,1088 -1.153,1089 7.739,1090 9.43,1091 0.188,1092 15.661,1093 7.265,1094 12.156,1095 -1,1096 15.11,1097 -1.505,1098 9.095,1099 11.246,1100 9.348,1101 17.984,1102 8.571,1103 2.893,1104 -1,1105 16.853,1106 -2.179,1107 9.847,1108 12.086,1109 0.125,1110 20.053,1111 9.221,1112 2.531,1113 9.174,1114 18.608,1115 -2.347,1116 11.043,1117 13.725,1118 11.511,1119 22.303,1120 10.36,1121 2.379,1122 7.001,1123 20.373,1124 3.727,1125 11.931,1126 14.718,1127 0.082,1128 24.449,1129 11.142,1130 1.796,1131 6.819,1132 22.145,1133 3.444,1134 13.047,1135 16.244,1136 13.675,1137 26.673,1138 12.194,1139 1.547,1140 4.388,1141 23.924,1142 2.823,1143 14.011,1144 17.339,1145 0.054,1146 28.855,1147 13.049,1148 1.319,1149 3.235,1150 25.708,1151 2.118,1152 15.089,1153 18.791,1154 15.838,1155 31.072,1156 14.054,1157 1,1158 2.855,1159 27.497,1160 2.036,1161 16.093,1162 19.953,1163 0.035,1164 33.271,1165 14.951,1166 4798,1167 7411,1168 16.178,1169 27.762,1170 33.074,1171 35.756,1172 33.084,1173 32.991,1174 32.929,1175 41.407,1176 8.3,1177 84.699,1178 30.719,1179 5.17,1180 6.216,1181 5.97,1182 4.945,1183 4.893,1184 6.727,1185 5.9,1186 15.374,1187 4.63,1189 1.438,1190 1.555,1191 1.438,1192 1.434,1193 1.432,1194 1.8,1195 0.361,1196 3.683,1197 1.336,1198 3.949,1199 3.999,1200 3.969,1201 3.867,1202 4.996,1203 3.86,1204 3.871,1205 3.917,1206 3.845,1207 3.729,1208 4.75,1209 3.732,1210 3.658,1211 3.716,1212 3.755,1213 3.563,1214 4.253,1215 3.518,1216 3.407,1217 3.483,1218 3.282,1219 3.248,1220 4.158,1221 3.237,1222 3.111,1223 3.206,1224 3.047,1225 2.941,1226 3.843,1227 2.91,1228 2.931,1229 3.006,1230 2.866,1231 2.794,1232 3.697,1233 2.76,1234 2.855,1235 2.931,1236 2.76,1237 2.735,1238 3.674,1239 2.715,1240 2.854,1241 2.925,1242 2.687,1243 2.681,1244 3.474,1245 2.67,1246 0.181,1247 0.183,1248 0.268,1249 0.165,1250 0.126,1251 4.17,1252 0.162,1253 4.216,1254 0.128,1255 6.168,1256 0.399,1257 3.802,1258 0.114,1259 2.893,1260 3.727,1261 2.95,1262 9.174,1263 2.63,1264 1.922,1265 1.891,1266 2.058,1267 2.035,1268 1.257,1269 2.038,1270 1.802,1271 1.748,1272 1.917,1273 1.981,1274 1.229,1275 1.982,1276 1.632,1277 1.581,1278 1.795,1279 1.799,1280 0.91,1281 1.822,1282 1.404,1283 1.334,1284 1.649,1285 1.602,1286 0.825,1287 1.625,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.743,1293 1.429,1294 0.886,1295 0.821,1296 1.181,1297 1.125,1298 0.346,1299 1.142,1300 0.883,1301 0.814,1302 1.149,1303 1.062,1304 0.265,1305 1.107,1306 0.822,1307 0.752,1308 1.051,1309 1.036,1310 0.218,1311 1.081,1312 3.85,1314 5.094,1316 6.544,1318 8.079,1320 9.655,1328 6.289,1329 3.39,1331 1.996,1333 2.263,1340 25.487,1341 61.221,1342 132.724,1343 167.885,1344 184.905,1345 187.66,1346 187.66,1347 22.852,1348 6.594,1349 41.05,1350 66.35,1351 18,1352 11.817,1353 3.7,1354 2.807,1355 32.388,1356 75,1357 69,1358 0.206,1359 162.811,1360 273.15,1361 389.02,1362 6343,1364 14.33,1365 0.682,1366 0.612,1367 14.684,1368 12.85,1369 10.416,1370 0.453,1371 0.37,1372 7.374,1373 9.605,1374 7.117,1375 5.869,1376 10.916,1377 8.507,1378 8.626,1379 0.297,1380 0.215,1381 9.156,1382 6.228,1383 7.089,1384 0.197,1385 0.123,1386 7.543,1387 4.442,1388 5.799,1389 0.132,1390 0.074,1391 6.294,1392 3.245,1393 4.654,1394 0.088,1395 0.045,1396 5.21,1397 2.376,1398 0.329,1399 69.386,1400 0.249,1401 21.357,1402 0.544,1403 104,1404 258.129,1405 131.074,1406 275.003,1407 380.39,1408 262,1409 117,1410 267.16,1411 139.411,1412 279.435,1413 405.75,1414 264,1415 4.578}
{0 CHEMBL1082980,1 1.378,2 10.727,3 2.944,4 8.669,5 93.022,6 6.61,7 0.5,8 3.886,9 4.036,10 3.365,11 3.371,12 4.86,13 3.335,14 4.446,15 4.672,16 3.655,17 3.743,18 5.344,19 3.674,20 4.68,21 4.936,22 3.631,23 3.881,24 5.472,25 3.759,26 4.729,27 5.022,28 3.463,29 3.804,30 5.482,31 3.641,32 4.616,33 4.924,34 3.378,35 3.67,36 5.372,37 3.526,38 4.393,39 4.656,40 3.324,41 3.57,42 5.218,43 3.447,44 4.374,45 4.658,46 3.223,47 3.513,48 5.194,49 3.385,50 4.282,51 4.554,52 3.116,53 3.466,54 5.038,55 3.31,56 0.047,57 0.704,58 10.65,59 3.674,60 7.636,61 5.745,62 0.284,63 1.094,64 19.634,65 5.874,66 19.474,67 9.367,68 0.234,69 1.262,70 24.735,71 7.784,72 19.432,73 12.456,74 0.277,75 1.213,76 26.291,77 8.132,78 25.568,79 13.086,80 0.305,81 1.068,82 23.752,83 6.752,84 25.431,85 11.153,86 0.157,87 0.931,88 18.548,89 5.664,90 18.431,91 9.228,92 0.237,93 0.883,94 18.509,95 5.249,96 21.596,97 8.659,98 0.107,99 0.798,100 16.369,101 5.818,102 14.87,103 8.978,104 2,105 31,106 0.241,107 0.542,108 0.702,109 0.806,110 0.816,111 0.816,112 3.145,113 0.982,114 -4.24,115 -4.17,116 -3.94,121 37.8,123 1,126 1,127 5,144 6,145 1,147 1,149 1,152 1,176 7,179 3,180 2,183 1,185 2,187 8,191 1,197 1,200 5,206 2,209 2,211 2,214 2,218 2,219 1,224 2,227 1,232 4,237 1,239 2,244 5,247 1,251 2,256 5,264 1,269 5,281 676,282 15.206,283 15.206,284 15.206,285 15.206,286 15.206,287 13.756,288 21.819,289 9.37,290 15.626,291 11.887,292 11.887,293 11.887,294 11.887,295 11.887,296 9.775,297 34.028,298 4.507,299 12.56,300 4.114,301 2.386,302 1.472,303 0.878,304 0.817,305 0.817,306 3.834,310 1,311 1,312 1,313 508,314 2.345,318 225.098,325 1.752,326 10.347,327 1,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 46.5,338 236,339 4.173,340 3.151,341 6.173,342 3.818,343 2.907,344 3.728,345 0.8,346 9.189,347 2.649,348 3.897,349 2.755,350 5.36,351 3.527,352 2.537,353 3.444,354 0.8,355 7.01,356 2.519,357 3.64,358 2.677,359 5.305,360 3.386,361 2.449,362 2.837,363 0.4,364 6.857,365 2.286,366 3.305,367 2.482,368 5.016,369 3.109,370 2.194,371 2.363,373 6.004,374 2.005,375 2.942,376 1.726,377 4.26,378 2.564,379 1.587,380 2.108,382 3.935,383 1.554,384 2.78,385 1.574,386 3.675,387 2.387,388 1.452,389 1.87,391 3.216,392 1.351,393 2.5,394 1.204,395 3.489,396 2.063,397 1.116,398 1.5,400 2.577,401 1.054,402 2.467,403 1.146,404 3.414,405 2,406 1,407 1.458,409 2.275,410 1,411 2.205,412 1.081,413 3.292,414 1.967,415 1,416 1.169,418 2.212,419 0.965,420 2,421 1,422 3.247,423 1.951,424 1,425 1,427 2.136,428 0.949,429 1.219,430 0.205,431 2.634,432 0.956,438 0.956,439 0.025,440 2.523,441 0.798,442 -0.151,443 -0.159,445 -0.335,446 -0.143,447 0.735,448 -0.439,449 2,450 0.352,451 -0.61,452 -0.77,454 -1.389,455 -0.582,456 0.531,457 -0.6,458 1.897,459 0.112,460 -0.811,461 -1,463 -1.985,464 -0.747,465 0.5,466 -0.637,467 1.73,469 -1,470 -1.001,472 -2.347,473 -0.9,474 10.5,475 0.477,476 0.362,477 0.016,478 28,479 1.273,480 13,481 0.591,482 15,483 0.682,484 16.111,485 0.732,486 24.3,487 0.54,488 17.454,489 0.793,490 5.6,491 0.255,492 5.21,493 0.237,494 0.048,496 0.219,501 1.008,502 1.671,503 0.904,504 1.271,505 0.843,506 1.107,507 1.288,508 0.972,509 1.05,510 0.925,511 0.838,512 0.955,513 1.154,514 1.142,515 1.09,516 1.095,517 1.055,518 1.087,519 0.995,520 1.041,521 1.032,522 1.05,523 1.248,524 1.046,525 1.227,526 0.768,527 0.952,528 0.758,529 1.33,530 0.813,531 1.189,532 1.213,533 1.065,534 1.1,535 1.078,536 1.073,537 1.489,538 0.798,539 1.114,540 0.815,541 1.462,542 0.905,543 0.723,544 1.123,545 0.961,546 1.131,547 0.702,548 1.082,549 3.5,550 0.017,551 1.778,552 0.688,553 0.556,554 0.542,555 0.26,556 0.128,557 0.159,558 0.087,559 5682,560 11804,561 2.125,562 51.1,564 19,566 1,567 1,569 2,572 1.639,573 2.063,574 3.414,575 -0.31,576 1,577 1,579 1,582 61.995,583 1.378,584 3.106,585 4.02,586 4.614,587 4.675,588 4.675,589 2.924,590 3.914,591 4.431,592 3.548,593 819.551,594 7.58,595 9399.74,597 1,599 1,600 247.133,601 1.023,602 4.423,603 0.146,604 0.001,605 0.057,606 0.024,607 0.024,608 0.025,609 0.012,610 0.007,611 0.009,612 0.006,613 0.312,614 0.5,615 1,616 0.405,617 103.514,618 0.03,619 -0.387,620 0.079,621 -0.15,622 0.086,623 -0.049,624 0.08,625 0.198,626 -0.03,627 0.051,628 0.16,629 0.006,630 -0.083,631 -0.095,632 -0.105,633 -0.107,634 -0.092,635 -0.108,636 0.035,637 -0.091,638 -0.049,639 -0.101,640 -0.099,641 -0.087,642 -0.029,643 0.174,644 0.053,645 0.146,646 -0.122,647 0.115,648 -0.112,649 -0.185,650 -0.078,651 -0.123,652 -0.027,653 -0.101,654 -0.218,655 0.22,656 -0.105,657 0.106,658 -0.176,659 0.028,660 0.018,661 -0.164,662 -0.011,663 -0.102,664 0.146,665 -0.066,666 0.835,667 1.638,668 0.818,669 19.587,670 0.988,671 1.138,672 3.005,673 9.03,674 0.642,675 3.219,676 3.466,677 3.664,678 3.85,679 4.06,680 3.97,681 4.007,682 4.06,683 4.094,684 4.143,685 6.274,686 0.597,687 297.45,688 3.219,689 4.71,690 5.517,691 6.347,692 7.169,693 8.004,694 8.832,695 9.669,696 10.5,697 11.339,698 11.1,701 1,703 1,704 1,708 2,715 7,716 2,720 3,722 12,734 1,736 1,741 45,743 12,744 1,745 24,747 47,748 17,749 10,750 1,751 5,756 3,757 3,770 1,772 10,773 7,789 1,790 1,793 23,794 5,795 1,796 5,802 5,808 1,823 1,829 3,855 1,859 3,864 1,868 22,876 6,877 1,881 2,901 10.667,902 8.133,903 4.944,904 2.735,907 2.123,908 1.316,909 0.976,910 5.119,911 8.834,912 3.434,913 3.912,914 4.369,915 4.83,916 5.29,917 5.155,918 5.353,919 5.536,920 5.765,921 6.093,922 1,923 29,924 8.124,926 3.287,927 0.026,929 7.432,931 16.081,933 12.889,936 1.932,937 42.5,938 0.001,940 1,941 258.964,942 94.777,943 57.83,948 94.777,949 258.964,950 57.83,951 8.396,952 13.063,953 56.857,954 63.353,955 18.482,956 4.227,957 247.193,959 258.964,960 152.607,964 235.422,965 23.542,968 27.134,969 73.892,970 51.582,972 258.964,973 57.83,974 94.777,977 258.964,978 20.476,979 80.55,980 18.011,981 33.571,982 258.964,983 57.83,984 94.777,986 0.563,987 0.314,988 0.165,989 0.092,990 14,991 5,992 0.106,993 5,995 1,996 3.641,997 160.057,999 18,1000 90.107,1005 15.104,1006 7.455,1007 4.345,1009 57.83,1010 14.269,1011 9.048,1015 3.07,1017 18.011,1018 411.572,1019 30,1031 44.461,1032 51.228,1034 0.251,1035 0.566,1036 0.732,1037 0.84,1038 0.851,1039 0.851,1040 4.625,1041 1,1042 5.442,1043 2.577,1044 4.143,1045 4.595,1046 1.176,1047 6.133,1048 4.034,1049 5.751,1050 1,1051 6.919,1052 2.275,1053 3.434,1054 3.98,1055 0.57,1056 6.763,1057 3.218,1058 6.99,1059 1,1060 8.491,1061 2.212,1062 5.617,1063 6.59,1064 0.679,1065 9.814,1066 5.384,1067 8.259,1069 10.122,1070 2.136,1071 5.74,1072 6.779,1073 0.479,1074 11.312,1075 5.385,1076 9.56,1077 -0.151,1078 11.793,1080 7.339,1081 8.857,1082 0.438,1083 13.829,1084 6.971,1085 10.882,1086 -0.61,1087 13.491,1088 -0.335,1089 7.881,1090 9.458,1091 0.346,1092 15.707,1093 7.391,1094 12.222,1095 -0.811,1096 15.209,1097 -1.389,1098 9.198,1099 11.259,1100 0.292,1101 18.028,1102 8.683,1103 2.907,1104 -1,1105 16.943,1106 -1.985,1107 9.968,1108 12.1,1109 0.237,1110 20.085,1111 9.333,1112 2.537,1113 9.189,1114 18.689,1115 -2.347,1116 11.143,1117 13.732,1118 0.195,1119 22.335,1120 10.469,1121 2.449,1122 7.01,1123 20.446,1124 3.728,1125 12.039,1126 14.725,1127 0.158,1128 24.475,1129 11.248,1130 2.194,1131 6.857,1132 22.21,1133 3.444,1134 13.145,1135 16.248,1136 0.129,1137 26.701,1138 12.3,1139 1.587,1140 6.004,1141 23.982,1142 2.837,1143 14.112,1144 17.343,1145 0.104,1146 28.881,1147 13.155,1148 1.452,1149 3.935,1150 25.76,1151 2.363,1152 15.186,1153 18.793,1154 0.084,1155 31.099,1156 14.161,1157 1.116,1158 3.216,1159 27.543,1160 2.108,1161 16.193,1162 19.956,1163 0.068,1164 33.298,1165 15.059,1166 5436,1167 7937,1168 16.583,1169 28.881,1170 34.819,1171 34.447,1172 34.899,1173 34.557,1174 34.483,1175 42.954,1176 4,1177 90.821,1178 32.662,1179 5.173,1180 5.151,1181 5.974,1182 4.89,1183 4.907,1184 6.728,1185 1.2,1186 15.4,1187 4.649,1188 6.152,1189 1.451,1190 1.435,1191 1.454,1192 1.44,1193 1.437,1194 1.79,1195 0.167,1196 3.784,1197 1.361,1198 3.957,1199 4.014,1200 3.89,1201 3.867,1202 4.997,1203 3.86,1204 3.884,1205 3.931,1206 3.813,1207 3.712,1208 4.75,1209 3.737,1210 3.723,1211 3.794,1212 3.616,1213 3.534,1214 4.361,1215 3.545,1216 3.418,1217 3.498,1218 3.269,1219 3.249,1220 4.196,1221 3.24,1222 3.188,1223 3.291,1224 3.012,1225 2.942,1226 3.903,1227 2.944,1228 3.111,1229 3.206,1230 2.866,1231 2.941,1232 3.808,1233 2.91,1234 2.897,1235 2.985,1236 2.765,1237 2.735,1238 3.674,1239 2.715,1240 2.854,1241 2.925,1242 2.687,1243 2.696,1244 3.591,1245 2.7,1246 0.174,1247 0.131,1248 0.257,1249 0.159,1250 0.121,1251 4.173,1252 0.155,1253 3.151,1254 0.033,1255 6.173,1256 0.383,1257 3.818,1258 0.11,1259 2.907,1260 3.728,1261 0.8,1262 9.189,1263 2.649,1264 1.923,1265 1.891,1266 2.059,1267 2.058,1268 1.285,1269 2.048,1270 1.821,1271 1.757,1272 1.992,1273 2.003,1274 1.23,1275 2.016,1276 1.675,1277 1.609,1278 1.831,1279 1.883,1280 0.911,1281 1.875,1282 1.409,1283 1.338,1284 1.661,1285 1.621,1286 0.825,1287 1.639,1288 1.172,1289 1.068,1290 1.536,1291 1.45,1292 0.754,1293 1.483,1294 1.153,1295 1.064,1296 1.513,1297 1.376,1298 0.636,1299 1.429,1300 0.886,1301 0.821,1302 1.181,1303 1.12,1304 0.277,1305 1.135,1306 0.865,1307 0.786,1308 1.149,1309 1.062,1310 0.252,1311 1.107,1312 3.892,1314 5.153,1316 6.613,1318 8.156,1320 9.739,1322 2.153,1328 5.982,1329 3.393,1333 4.584,1340 26.848,1341 61.995,1342 139.759,1343 180.895,1344 207.624,1345 210.379,1346 210.379,1347 24.594,1348 6.711,1349 44.29,1350 44.29,1351 18,1352 11.907,1353 3.7,1354 2.807,1355 34.699,1356 82,1357 76,1358 0.202,1359 168.067,1360 282.94,1361 401.844,1362 7322,1364 15.2,1365 0.691,1366 0.594,1367 15.2,1368 13.073,1369 10.81,1370 0.45,1371 0.327,1372 7.739,1373 10.4,1374 7.544,1375 6.277,1376 10.81,1377 7.855,1378 9.248,1379 0.298,1380 0.184,1381 9.248,1382 5.695,1383 7.5,1384 0.197,1385 0.105,1386 7.5,1387 3.992,1388 5.951,1389 0.129,1390 0.056,1391 5.951,1392 2.585,1393 4.878,1394 0.086,1395 0.032,1396 4.878,1397 1.817,1398 0.325,1399 67.446,1400 0.246,1401 22.258,1402 0.534,1403 110,1404 268.913,1405 119.88,1406 265.643,1407 370.83,1408 252,1409 124,1410 276.549,1411 134.713,1412 282.264,1413 407.32,1414 265,1415 4.69}
{0 CHEMBL1082981,1 1.326,2 10.727,3 4.156,4 17.272,5 93.661,6 6.445,7 0.5,8 3.896,9 4.042,10 3.351,11 3.422,12 4.844,13 3.37,14 4.462,15 4.678,16 3.65,17 3.81,18 5.336,19 3.717,20 4.745,21 5.011,22 3.63,23 3.933,24 5.496,25 3.792,26 4.768,27 5.067,28 3.462,29 3.83,30 5.502,31 3.659,32 4.621,33 4.927,34 3.368,35 3.692,36 5.361,37 3.544,38 4.416,39 4.679,40 3.32,41 3.604,42 5.237,43 3.475,44 4.392,45 4.671,46 3.215,47 3.557,48 5.194,49 3.419,50 4.315,51 4.588,52 3.116,53 3.51,54 5.058,55 3.342,56 0.053,57 0.696,58 10.956,59 4.121,60 7.97,61 6.203,62 0.242,63 1.116,64 19.863,65 7.017,66 18.898,67 10.558,68 0.197,69 1.331,70 26.308,71 8.846,72 20.021,73 13.866,74 0.289,75 1.281,76 27.22,77 8.584,78 26.227,79 13.664,80 0.24,81 1.108,82 23.597,83 6.904,84 23.573,85 11.355,86 0.169,87 0.966,88 19.03,89 5.941,90 19.568,91 9.538,92 0.193,93 0.918,94 18.659,95 5.674,96 20.784,97 9.152,98 0.103,99 0.832,100 16.822,101 6.307,102 15.432,103 9.53,104 2,105 31,106 0.23,107 0.552,108 0.746,109 0.811,110 0.821,111 0.821,112 3.145,113 1.021,114 -5.26,115 -5.15,116 -4.82,121 39.1,122 1,123 3,124 1,127 3,144 6,145 1,147 1,149 1,152 1,176 10,179 3,180 4,183 1,185 2,187 11,192 1,197 1,200 5,206 7,209 2,211 2,214 2,219 3,224 2,227 1,232 6,237 3,239 4,244 4,249 1,251 3,256 5,261 1,264 4,269 4,277 3,281 676,282 15.206,283 15.206,284 15.206,285 15.206,286 15.206,287 13.756,288 19.391,289 9.37,290 15.507,291 11.887,292 11.887,293 11.887,294 11.887,295 11.887,296 9.775,297 28.813,298 4.507,299 12.385,300 4.198,301 2.346,302 1.229,303 0.859,304 0.799,305 0.799,306 3.834,311 1,312 1,313 508,314 2.345,318 225.098,325 1.752,326 10.236,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 46,338 236,339 4.173,340 3.132,341 6.173,342 3.823,343 2.907,344 3.728,345 0.8,346 9.189,347 2.67,348 3.897,349 2.744,350 5.36,351 3.528,352 2.537,353 3.444,354 0.4,355 7.01,356 2.521,357 3.64,358 2.581,359 5.305,360 3.418,361 2.449,362 2.837,364 6.857,365 2.369,366 3.305,367 2.273,368 5.016,369 3.152,370 2.194,371 2.363,373 6.004,374 2.089,375 2.942,376 1.708,377 4.26,378 2.565,379 1.587,380 2.108,382 3.935,383 1.556,384 2.78,385 1.563,386 3.675,387 2.393,388 1.452,389 1.87,391 3.216,392 1.36,393 2.5,394 1.196,395 3.489,396 2.067,397 1.116,398 1.5,400 2.577,401 1.058,402 2.467,403 1.081,404 3.414,405 2,406 1,407 1.458,409 2.275,410 1,411 2.205,412 1.077,413 3.292,414 1.984,415 1,416 1.169,418 2.212,419 0.983,420 2,421 1,422 3.247,423 1.951,424 1,425 1,427 2.136,428 0.949,429 1.219,430 0.204,431 2.634,432 0.956,438 0.956,439 -0.095,440 2.523,441 0.824,442 -0.151,443 -0.159,445 -0.335,446 -0.147,447 0.735,448 -0.446,449 2,450 0.353,451 -0.61,452 -0.77,454 -1.389,455 -0.584,456 0.531,457 -0.722,458 1.897,459 0.126,460 -0.811,461 -1,463 -1.985,464 -0.758,465 0.5,466 -0.784,467 1.73,469 -1,470 -1.001,472 -2.347,473 -0.946,474 10.6,475 0.482,476 0.362,477 0.016,478 27.25,479 1.239,480 13,481 0.591,482 14.25,483 0.648,484 17.647,485 0.802,486 24.2,487 0.526,488 15.918,489 0.724,490 4.989,491 0.227,492 5.821,493 0.265,494 0.047,496 0.226,501 0.974,502 1.495,503 0.937,504 1.205,505 0.854,506 1.09,507 0.946,508 1.061,509 1.037,510 1.075,511 0.735,512 1.066,513 1.106,514 1.189,515 1.033,516 1.09,517 0.966,518 1.061,519 1.16,520 0.995,521 1.029,522 0.974,523 1.246,524 0.987,525 1.517,526 0.863,527 0.98,528 0.766,529 1.421,530 0.813,531 1.451,532 1.135,533 1.12,534 1.032,535 1.251,536 1.042,537 1.669,538 0.858,539 1.144,540 0.85,541 1.512,542 0.931,543 0.72,544 1.125,545 0.979,546 1.126,547 0.722,548 1.085,549 3.5,550 0.017,551 1.778,552 0.688,553 0.556,554 0.542,555 0.26,556 0.128,557 0.159,558 0.087,559 5682,560 10932,561 2.125,562 52.2,563 4,564 12,566 1,567 1,569 6,572 1.639,573 2.063,574 3.414,575 -0.354,577 1,582 60.986,583 1.326,584 3.178,585 4.295,586 4.665,587 4.725,588 4.725,589 2.924,590 3.914,591 4.431,592 3.548,593 819.551,594 7.58,595 9399.74,597 1,599 1,600 254.084,601 1.023,602 4.423,603 0.146,604 0.001,605 0.057,606 0.024,607 0.024,608 0.025,609 0.012,610 0.007,611 0.009,612 0.006,613 0.312,614 0.5,615 1,616 0.405,617 103.514,618 0.039,619 -0.238,620 0.068,621 -0.077,622 0.091,623 -0.014,624 0.265,625 0.09,626 -0.025,627 -0.051,628 0.243,629 -0.063,630 -0.051,631 -0.173,632 -0.046,633 -0.108,634 -0.022,635 -0.081,636 0.037,637 -0.032,638 -0.033,639 -0.052,640 -0.087,641 -0.05,642 -0.172,643 0.111,644 0.033,645 0.131,646 -0.193,647 0.106,648 -0.176,649 -0.084,650 -0.111,651 -0.078,652 -0.093,653 -0.087,654 -0.312,655 0.179,656 -0.129,657 0.078,658 -0.212,659 0.006,660 0.027,661 -0.164,662 -0.023,663 -0.108,664 0.142,665 -0.077,666 0.809,667 1.656,668 0.818,669 19.587,670 0.984,671 1.134,672 4.03,673 16.243,674 0.644,675 3.219,676 3.466,677 3.664,678 3.85,679 4.06,680 3.97,681 4.007,682 4.06,683 4.094,684 4.143,685 6.274,686 0.595,687 296.46,688 3.219,689 4.71,690 5.517,691 6.347,692 7.169,693 8.004,694 8.832,695 9.669,696 10.5,697 11.339,698 8.7,703 1,704 1,708 2,715 7,716 2,720 3,722 12,734 1,736 1,741 46,743 12,744 1,745 24,747 48,748 18,749 10,750 1,751 5,756 3,757 3,763 1,767 2,768 1,770 3,772 10,773 8,774 1,790 1,793 24,794 4,795 1,796 4,802 4,808 1,823 1,829 3,859 3,864 1,868 22,876 6,877 1,880 1,881 1,901 10.667,902 8.267,903 4.944,904 3.001,907 2.123,908 1.316,909 0.97,910 5.15,911 8.834,912 3.434,913 3.912,914 4.369,915 4.83,916 5.29,917 5.155,918 5.353,919 5.536,920 5.765,921 6.093,922 1,923 29,924 8.141,926 3.316,927 0.026,929 7.402,931 16.24,933 13.261,936 1.902,937 41.833,938 0.001,940 1,941 270.735,942 96.063,943 54.706,948 96.063,949 270.735,950 54.706,951 8.825,952 13.921,953 56.857,954 63.353,955 15.357,956 4.227,957 258.964,959 270.735,960 150.77,964 200.109,965 70.627,968 33.692,969 65.495,970 51.582,972 270.735,973 54.706,974 96.063,977 270.735,978 21.333,979 77.854,980 18.011,981 33.571,982 270.735,983 54.706,984 96.063,986 0.563,987 0.314,988 0.165,989 0.092,990 14,991 5,992 0.104,993 5,995 1,996 3.641,997 160.057,999 18,1000 90.107,1005 15.142,1006 7.483,1007 4.364,1009 54.706,1010 14.314,1011 9.086,1015 3.116,1017 18.011,1018 421.505,1019 30,1031 45.243,1032 52.145,1034 0.24,1035 0.575,1036 0.778,1037 0.845,1038 0.855,1039 0.855,1040 4.625,1041 1,1042 5.442,1043 2.577,1044 4.143,1045 4.595,1046 0.824,1047 6.133,1048 4.06,1049 5.751,1050 1,1051 6.919,1052 2.275,1053 3.434,1054 3.98,1055 0.325,1056 6.763,1057 3.281,1058 6.99,1059 1,1060 8.491,1061 2.212,1062 5.617,1063 6.59,1064 0.413,1065 9.814,1066 5.437,1067 8.259,1069 10.122,1070 2.136,1071 5.74,1072 6.779,1073 0.268,1074 11.312,1075 5.47,1076 9.56,1077 -0.151,1078 11.793,1080 7.339,1081 8.857,1082 0.246,1083 13.829,1084 7.047,1085 10.882,1086 -0.61,1087 13.491,1088 -0.335,1089 7.881,1090 9.458,1091 0.188,1092 15.707,1093 7.487,1094 12.222,1095 -0.811,1096 15.209,1097 -1.389,1098 9.198,1099 11.259,1100 0.157,1101 18.028,1102 8.777,1103 2.907,1104 -1,1105 16.943,1106 -1.985,1107 9.968,1108 12.1,1109 0.125,1110 20.085,1111 9.438,1112 2.537,1113 9.189,1114 18.689,1115 -2.347,1116 11.143,1117 13.732,1118 0.102,1119 22.335,1120 10.575,1121 2.449,1122 7.01,1123 20.446,1124 3.728,1125 12.039,1126 14.725,1127 0.082,1128 24.475,1129 11.363,1130 2.194,1131 6.857,1132 22.21,1133 3.444,1134 13.145,1135 16.248,1136 0.067,1137 26.701,1138 12.417,1139 1.587,1140 6.004,1141 23.982,1142 2.837,1143 14.112,1144 17.343,1145 0.054,1146 28.881,1147 13.277,1148 1.452,1149 3.935,1150 25.76,1151 2.363,1152 15.186,1153 18.793,1154 0.043,1155 31.099,1156 14.287,1157 1.116,1158 3.216,1159 27.543,1160 2.108,1161 16.193,1162 19.956,1163 0.035,1164 33.298,1165 15.19,1166 5436,1167 7655,1168 16.583,1169 29.637,1170 34.819,1171 34.664,1172 34.899,1173 34.513,1174 34.483,1175 42.954,1176 2.4,1177 90.821,1178 33.108,1179 5.173,1180 5.132,1181 5.974,1182 4.895,1183 4.907,1184 6.728,1185 1.2,1186 15.4,1187 4.67,1188 6.152,1189 1.451,1190 1.444,1191 1.454,1192 1.438,1193 1.437,1194 1.79,1195 0.1,1196 3.784,1197 1.38,1198 3.964,1199 4.021,1200 3.893,1201 3.869,1202 4.997,1203 3.863,1204 3.892,1205 3.935,1206 3.816,1207 3.76,1208 4.75,1209 3.767,1210 3.75,1211 3.81,1212 3.641,1213 3.603,1214 4.314,1215 3.61,1216 3.422,1217 3.502,1218 3.273,1219 3.253,1220 4.19,1221 3.245,1222 3.22,1223 3.313,1224 3.041,1225 3.021,1226 3.89,1227 3.014,1228 3.111,1229 3.206,1230 2.866,1231 2.941,1232 3.803,1233 2.91,1234 2.897,1235 2.985,1236 2.766,1237 2.735,1238 3.674,1239 2.715,1240 2.854,1241 2.925,1242 2.687,1243 2.696,1244 3.59,1245 2.701,1246 0.174,1247 0.131,1248 0.257,1249 0.159,1250 0.121,1251 4.173,1252 0.155,1253 3.132,1254 0.033,1255 6.173,1256 0.383,1257 3.823,1258 0.111,1259 2.907,1260 3.728,1261 0.8,1262 9.189,1263 2.67,1264 1.923,1265 1.891,1266 2.073,1267 2.065,1268 1.428,1269 2.065,1270 1.87,1271 1.812,1272 2.057,1273 2.006,1274 1.23,1275 2.026,1276 1.715,1277 1.661,1278 1.843,1279 1.893,1280 0.914,1281 1.889,1282 1.414,1283 1.342,1284 1.667,1285 1.625,1286 0.825,1287 1.644,1288 1.223,1289 1.132,1290 1.561,1291 1.466,1292 0.805,1293 1.504,1294 1.153,1295 1.064,1296 1.513,1297 1.376,1298 0.697,1299 1.429,1300 0.886,1301 0.821,1302 1.181,1303 1.12,1304 0.307,1305 1.136,1306 0.865,1307 0.786,1308 1.151,1309 1.062,1310 0.264,1311 1.107,1312 3.892,1314 5.153,1316 6.613,1318 8.156,1320 9.739,1322 2.319,1328 6.478,1329 3.404,1332 0.823,1333 2.294,1340 27.354,1341 60.986,1342 146.168,1343 197.555,1344 214.574,1345 217.329,1346 217.329,1347 26.371,1348 6.711,1349 41.05,1350 41.05,1351 18,1352 11.907,1353 3.7,1354 2.807,1355 34.699,1356 82,1357 76,1358 0.202,1359 170.865,1360 289.24,1361 408.671,1362 7322,1364 15.2,1365 0.691,1366 0.6,1367 15.2,1368 13.203,1369 10.81,1370 0.45,1371 0.34,1372 8.089,1373 10.512,1374 7.881,1375 6.584,1376 10.81,1377 8.169,1378 9.248,1379 0.298,1380 0.196,1381 9.248,1382 6.074,1383 7.5,1384 0.197,1385 0.112,1386 7.5,1387 4.272,1388 5.951,1389 0.129,1390 0.061,1391 5.951,1392 2.787,1393 4.878,1394 0.086,1395 0.035,1396 4.878,1397 2.021,1398 0.325,1399 66.749,1400 0.246,1401 22.258,1402 0.534,1403 110,1404 249.268,1405 118.132,1406 248.734,1407 350.19,1408 236,1409 124,1410 264.789,1411 132.493,1412 269.855,1413 390.34,1414 255,1415 5.056}
{0 CHEMBL1083054,1 1.344,2 14.929,3 4.661,4 21.721,5 117.632,6 6.792,7 0.581,8 4.087,9 4.229,10 3.589,11 3.642,12 5.089,13 3.596,14 4.623,15 4.82,16 3.876,17 4.022,18 5.532,19 3.943,20 4.909,21 5.165,22 3.891,23 4.141,24 5.724,25 4.02,26 4.924,27 5.202,28 3.718,29 4.064,30 5.69,31 3.91,32 4.868,33 5.169,34 3.579,35 3.951,36 5.597,37 3.788,38 4.706,39 5,40 3.423,41 3.822,42 5.424,43 3.655,44 4.583,45 4.866,46 3.337,47 3.73,48 5.3,49 3.562,50 4.533,51 4.818,52 3.291,53 3.673,54 5.258,55 3.508,56 0.113,57 0.841,58 12.511,59 5.003,60 10.665,61 7.143,62 0.178,63 1.343,64 22.303,65 8.061,66 17.959,67 11.968,68 0.266,69 1.639,70 30.801,71 10.603,72 28.015,73 16.084,74 0.262,75 1.595,76 31.692,77 10.598,78 29.489,79 16.298,80 0.277,81 1.46,82 30.434,83 9.863,84 29.483,85 15.325,86 0.252,87 1.246,88 25.699,89 8.679,90 23.917,91 13.26,92 0.202,93 1.111,94 22.484,95 7.924,96 19.464,97 11.968,98 0.198,99 1.058,100 21.436,101 7.446,102 19.087,103 11.29,105 40,106 0.222,107 0.521,108 0.686,109 0.828,110 0.869,111 0.881,112 3.373,113 0.974,114 -5.76,115 -5.63,116 -5.24,121 41.8,123 3,127 4,144 11,145 3,148 1,149 1,168 1,172 1,176 15,180 5,183 1,185 3,187 14,192 8,195 1,197 5,200 9,206 8,211 4,214 6,219 6,224 3,227 8,232 3,235 1,237 2,239 8,244 1,248 1,249 2,251 7,255 1,256 1,261 2,264 6,268 1,269 1,272 1,274 3,277 6,281 1276,282 19.69,283 19.69,284 19.69,285 19.69,286 19.69,287 17.526,288 20.601,289 12.236,290 19.92,291 15.375,292 15.375,293 15.375,294 15.375,295 15.375,296 12.249,297 32.015,298 5.89,299 15.749,300 4.437,301 2.621,302 1.621,303 0.757,304 0.509,305 0.436,306 4.081,311 1,312 1,313 926,314 3,318 381.049,322 147.921,325 2.296,326 11.33,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 58.5,338 418,339 4.244,340 3.195,341 6.183,342 3.908,343 2.923,344 3.889,345 0.657,346 9.226,347 2.883,348 4.228,349 2.886,350 6.143,351 3.851,352 2.87,353 3.815,354 0.522,355 9.054,356 2.816,357 3.8,358 2.571,359 5.327,360 3.391,361 2.44,362 3.302,363 0.4,364 6.919,365 2.318,366 3.388,367 2.513,368 5.257,369 3.259,370 2.303,371 2.589,373 6.678,374 2.196,375 3.271,376 1.961,377 4.448,378 2.828,379 1.848,380 2.443,382 4.524,383 1.808,384 2.928,385 1.888,386 4.415,387 2.68,388 1.691,389 2.077,391 4.371,392 1.671,393 2.865,394 1.721,395 3.788,396 2.604,397 1.618,398 1.988,400 3.507,401 1.594,402 2.737,403 1.483,404 3.617,405 2.412,406 1.416,407 1.777,409 3.015,410 1.41,411 2.622,412 1.276,413 3.509,414 2.197,415 1.213,416 1.657,418 2.733,419 1.192,420 2.5,421 1.097,422 3.414,423 2.014,424 1.038,425 1.5,427 2.284,428 1.011,429 2.5,430 1,431 3.314,432 2,433 1,434 1.5,436 2.275,437 1,438 2.14,439 1,440 3.247,441 1.983,442 1,443 1.123,445 2.136,446 0.982,447 1.889,448 0.874,449 3.15,450 1.657,451 0.697,452 0.809,454 1.598,455 0.667,456 1.469,457 0.521,458 2.821,459 1.327,460 0.364,461 0.391,463 0.822,464 0.35,465 1.07,466 0.038,467 2.444,468 0.825,469 -0.148,470 -0.168,472 -0.346,473 -0.144,474 13.5,475 0.482,476 0.376,477 0.013,478 35.75,479 1.277,480 18.5,481 0.661,482 17.25,483 0.616,484 22.148,485 0.791,486 29.7,487 0.54,488 22.884,489 0.817,490 6.992,491 0.25,492 6.89,493 0.246,496 0.215,501 0.801,502 1.152,503 0.882,504 1.043,505 0.761,506 0.983,507 1.171,508 1.218,509 1.048,510 1.1,511 0.873,512 1.069,513 1.147,514 1.07,515 1.013,516 1.003,517 0.914,518 0.996,519 1.223,520 1.1,521 1.08,522 1.048,523 1.08,524 1.05,525 1.263,526 0.919,527 0.995,528 0.879,529 1.119,530 0.905,531 1.161,532 0.865,533 1.036,534 0.913,535 1.126,536 0.954,537 1.003,538 0.964,539 1.044,540 1.015,541 1.048,542 1.03,543 1.042,544 0.961,545 1.041,546 1,547 1.096,548 1.017,549 3.5,550 0.049,551 2.222,552 0.75,553 0.809,554 0.458,555 0.3,556 0.115,557 0.131,558 0.082,559 13457,560 28456,561 2.182,562 49.1,563 2,564 19,567 2,569 4,572 1.697,573 2.154,574 3.843,575 0.176,582 73.941,583 1.344,584 3.16,585 4.16,586 5.025,587 5.272,588 5.345,589 3.271,590 4.236,591 4.783,592 4.033,593 1524.36,594 8.242,595 22796.6,597 1,600 317.975,601 0.75,602 4.784,603 0.113,604 0.002,605 0.056,606 0.019,607 0.026,608 0.017,609 0.013,610 0.005,611 0.007,612 0.004,613 0.262,614 0.33,615 0.88,617 147.549,618 0.232,619 0.057,620 0.068,621 0.015,622 0.165,623 0.024,624 -0.042,625 -0.091,626 -0.076,627 -0.094,628 0.036,629 -0.089,630 -0.036,631 -0.049,632 -0.024,633 -0.033,634 0.062,635 -0.028,636 -0.11,637 -0.121,638 -0.084,639 -0.096,640 -0.039,641 -0.089,642 -0.114,643 0.028,644 0.012,645 0.057,646 -0.046,647 0.048,648 -0.073,649 0.087,650 -0.038,651 0.036,652 -0.102,653 0.008,654 -0.013,655 -0.011,656 -0.057,657 -0.046,658 -0.091,659 -0.054,660 -0.015,661 -0.005,662 -0.051,663 -0.038,664 -0.123,665 -0.046,666 0.825,667 1.316,668 0.786,669 31.684,670 0.986,671 1.128,672 4.532,673 20.54,674 0.662,675 3.466,676 3.714,677 3.951,678 4.159,679 4.382,680 4.317,681 4.382,682 4.394,683 4.407,684 4.277,685 8.741,686 0.616,687 373.55,688 3.466,689 4.963,690 5.784,691 6.619,692 7.453,693 8.294,694 9.133,695 9.977,696 10.819,697 11.664,698 9.1,700 1,701 1,703 1,708 2,715 11,716 2,720 5,722 18,734 1,741 55,743 18,744 2,745 31,747 58,748 23,749 16,750 3,751 9,756 4,757 5,770 3,772 16,773 7,790 1,793 27,794 5,795 2,796 5,802 5,806 1,808 0.75,821 1,829 4,833 1,859 3,868 28,876 7,877 2,881 1,901 13,902 9.517,903 6.306,904 3.466,907 3.098,908 1.413,909 1.003,910 6.408,911 10.606,912 3.714,913 4.227,914 4.751,915 5.259,916 5.781,917 5.795,918 6.117,919 6.345,920 6.544,921 6.602,922 0.9,923 39,924 10.335,926 4.253,927 0.026,929 7.423,931 20.493,933 16.77,936 1.923,937 53.833,939 1,940 1,941 294.278,942 134.907,943 72.227,948 134.907,949 294.278,950 72.227,952 16.026,953 122.127,954 51.337,955 15.315,956 2.328,957 294.278,959 294.278,960 207.133,964 247.193,965 47.084,968 39.673,969 116.123,970 51.337,972 294.278,973 72.227,974 134.907,977 294.278,978 30.668,979 107.241,980 35.899,981 33.326,982 294.278,983 72.227,984 134.907,986 0.559,987 0.32,988 0.174,989 0.097,990 18,991 6,992 0.138,993 8,994 1,995 1.091,996 4.388,997 220.687,998 0.091,999 22,1000 130.606,1005 18.764,1006 9.563,1007 5.243,1009 72.227,1010 22.842,1011 8.604,1015 5.703,1017 35.899,1018 501.411,1019 40,1031 54.229,1032 62.059,1034 0.233,1035 0.547,1036 0.72,1037 0.869,1038 0.912,1039 0.925,1040 4.902,1041 1.416,1042 5.7,1043 3.507,1044 4.394,1045 4.913,1046 1.004,1047 6.409,1048 4.347,1049 6.04,1050 1.213,1051 7.183,1052 3.015,1053 3.611,1054 4.311,1056 7.081,1057 3.53,1058 7.29,1059 1.038,1060 8.768,1061 2.733,1062 5.878,1063 6.978,1064 0.453,1065 10.167,1066 5.782,1067 8.575,1068 1,1069 10.418,1070 2.284,1071 5.994,1072 7.264,1074 11.74,1075 5.87,1076 9.897,1077 1,1078 12.111,1079 2.275,1080 7.628,1081 9.332,1082 0.19,1083 14.275,1084 7.492,1085 11.245,1086 0.697,1087 13.836,1088 2.136,1089 8.2,1090 10.065,1092 16.212,1093 8.045,1094 12.613,1095 0.364,1096 15.582,1097 1.598,1098 9.533,1099 11.832,1100 0.079,1101 18.549,1102 9.364,1103 2.923,1104 -0.148,1105 17.343,1106 0.822,1107 10.344,1108 12.812,1110 20.64,1111 10.161,1112 2.87,1113 9.226,1114 19.116,1115 -0.346,1116 11.531,1117 14.41,1118 0.033,1119 22.901,1120 11.335,1121 2.44,1122 9.054,1123 20.897,1124 3.889,1125 12.466,1126 15.534,1128 25.059,1129 12.257,1130 2.303,1131 6.919,1132 22.685,1133 3.815,1134 13.584,1135 17.032,1136 0.014,1137 27.291,1138 13.362,1139 1.848,1140 6.678,1141 24.478,1142 3.302,1143 14.581,1144 18.244,1146 29.479,1147 14.347,1148 1.691,1149 4.524,1150 26.276,1151 2.589,1152 15.667,1153 19.682,1154 0.006,1155 31.699,1156 15.42,1157 1.618,1158 4.371,1159 28.077,1160 2.443,1161 16.696,1162 20.947,1164 33.901,1165 16.437,1166 12366,1167 18119,1168 21.841,1169 36.404,1170 45.034,1171 44.938,1172 45.008,1173 44.853,1174 44.84,1175 57.719,1176 3.158,1177 118.281,1178 43.793,1179 5.2,1180 5.195,1181 6.008,1182 4.951,1183 4.923,1184 6.889,1185 1.315,1186 15.535,1187 4.883,1189 1.453,1190 1.45,1191 1.452,1192 1.447,1193 1.446,1194 1.862,1195 0.102,1196 3.816,1197 1.413,1198 4.005,1199 4.048,1200 3.942,1201 3.919,1202 5.054,1203 3.918,1204 3.958,1205 3.996,1206 3.902,1207 3.883,1208 4.763,1209 3.882,1210 3.766,1211 3.824,1212 3.675,1213 3.631,1214 4.702,1215 3.633,1216 3.673,1217 3.732,1218 3.547,1219 3.541,1220 4.315,1221 3.536,1222 3.466,1223 3.548,1224 3.334,1225 3.262,1226 4.188,1227 3.268,1228 3.247,1229 3.335,1230 3.083,1231 3.066,1232 3.918,1233 3.058,1234 3.088,1235 3.17,1236 2.924,1237 2.936,1238 3.879,1239 2.923,1240 2.95,1241 3.021,1242 2.813,1243 2.829,1244 3.738,1245 2.82,1246 0.137,1247 0.103,1248 0.199,1249 0.126,1250 0.094,1251 4.244,1252 0.125,1253 3.195,1254 0.021,1255 6.183,1256 0.298,1257 3.908,1258 0.093,1259 2.923,1260 3.889,1261 0.657,1262 9.226,1263 2.883,1264 1.96,1265 1.928,1266 2.083,1267 2.079,1268 1.355,1269 2.083,1270 1.941,1271 1.912,1272 2.045,1273 2.045,1274 1.251,1275 2.043,1276 1.754,1277 1.694,1278 1.982,1279 1.919,1280 1.115,1281 1.942,1282 1.656,1283 1.604,1284 1.803,1285 1.818,1286 0.975,1287 1.822,1288 1.432,1289 1.354,1290 1.674,1291 1.662,1292 0.793,1293 1.671,1294 1.241,1295 1.162,1296 1.524,1297 1.475,1298 0.673,1299 1.498,1300 1.099,1301 1.025,1302 1.403,1303 1.314,1304 0.652,1305 1.349,1306 0.952,1307 0.895,1308 1.233,1309 1.157,1310 0.439,1311 1.189,1312 4.143,1314 5.407,1316 6.876,1318 8.437,1320 10.045,1328 7.465,1329 6.882,1333 2.337,1340 33.902,1341 73.941,1342 173.809,1343 228.802,1344 276.365,1345 289.975,1346 293.975,1347 34.091,1348 7.508,1349 53.08,1350 53.08,1351 24,1352 12.226,1353 4.248,1354 3.322,1355 43.105,1356 152,1357 118,1358 0.134,1359 209.446,1360 355.56,1361 502.807,1362 23469,1364 19.02,1365 0.679,1366 0.577,1367 19.02,1368 16.142,1369 13.882,1370 0.448,1371 0.325,1372 9.97,1373 13.511,1374 9.772,1375 8.14,1376 13.882,1377 10.066,1378 11.654,1379 0.291,1380 0.18,1381 11.654,1382 7.182,1383 9.831,1384 0.193,1385 0.1,1386 9.831,1387 5.118,1388 8.006,1389 0.127,1390 0.056,1391 8.006,1392 3.511,1393 6.641,1394 0.084,1395 0.031,1396 6.641,1397 2.451,1398 0.225,1399 85.722,1400 0.214,1401 28.117,1402 0.328,1403 142,1404 329.601,1405 151.02,1406 331.212,1407 468.13,1408 314,1409 162,1410 358.04,1411 172.214,1412 364.85,1413 524.72,1414 345,1415 5}
{0 CHEMBL1083055,1 1.323,2 13.28,3 4.291,4 18.415,5 106.533,6 6.786,7 0.667,8 3.955,9 4.095,10 3.452,11 3.519,12 4.999,13 3.47,14 4.463,15 4.663,16 3.709,17 3.869,18 5.403,19 3.788,20 4.706,21 4.949,22 3.703,23 3.972,24 5.565,25 3.846,26 4.767,27 5.058,28 3.56,29 3.895,30 5.547,31 3.743,32 4.655,33 4.928,34 3.49,35 3.829,36 5.468,37 3.68,38 4.632,39 4.927,40 3.343,41 3.742,42 5.397,43 3.572,44 4.464,45 4.752,46 3.238,47 3.595,48 5.224,49 3.43,50 4.333,51 4.608,52 3.173,53 3.501,54 5.146,55 3.357,56 0.077,57 0.722,58 10.89,59 4.42,60 10.382,61 6.305,62 0.165,63 1.132,64 19.011,65 6.908,66 17.043,67 10.178,68 0.195,69 1.353,70 24.82,71 9.074,72 24.08,73 13.48,74 0.257,75 1.361,76 27.282,77 9.228,78 28.474,79 14.045,80 0.189,81 1.236,82 24.041,83 8.358,84 25.16,85 12.644,86 0.23,87 1.174,88 23.856,89 8.147,90 26.395,91 12.363,92 0.17,93 0.994,94 19.973,95 7.133,96 20.076,97 10.722,98 0.15,99 0.895,100 17.453,101 5.86,102 18.974,103 8.938,104 2,105 34,106 0.224,107 0.508,108 0.677,109 0.805,110 0.844,111 0.851,112 3.265,113 0.963,114 -5.3,115 -5.19,116 -4.85,121 42.9,123 1,126 1,127 3,144 12,145 2,148 1,149 1,168 1,176 13,180 5,183 1,185 2,187 13,192 7,195 1,197 1,200 9,206 7,209 1,214 6,219 5,224 1,227 6,231 1,232 2,237 3,239 3,243 1,244 1,249 4,251 2,256 1,261 3,264 3,269 4,274 1,277 5,281 957,282 17.328,283 17.328,284 17.328,285 17.328,286 17.328,287 15.165,288 16.551,289 10.863,290 17.576,291 13.387,292 13.387,293 13.387,294 13.387,295 13.387,296 10.326,297 26.461,298 5.237,299 13.775,300 4.291,301 2.614,302 1.618,303 0.863,304 0.628,305 0.587,306 3.955,311 1,312 1,313 714,314 3.162,318 289.554,325 2.131,326 9.111,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 52,338 332,339 4.244,340 2.944,341 6.143,342 3.851,343 2.87,344 3.889,345 0.916,346 9.054,347 2.816,348 3.927,349 2.885,350 5.484,351 3.597,352 2.626,353 3.455,354 0.4,355 7.392,356 2.559,357 3.8,358 2.571,359 5.327,360 3.391,361 2.44,362 3.302,363 0.172,364 6.919,365 2.318,366 3.3,367 2.362,368 4.818,369 3.103,370 2.155,371 2.59,373 5.515,374 2.033,375 3.26,376 1.868,377 4.447,378 2.809,379 1.83,380 2.361,382 4.521,383 1.787,384 2.845,385 1.578,386 3.641,387 2.476,388 1.487,389 1.96,391 3.132,392 1.47,393 2.664,394 1.453,395 3.533,396 2.312,397 1.337,398 1.732,400 2.872,401 1.3,402 2.5,403 1.155,404 3.452,405 2.117,406 1.133,407 1.5,409 2.625,410 1.113,411 2.5,412 1,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.5,421 1,422 3.247,423 2,424 1,425 1.5,427 2.136,428 1,429 2.399,430 1,431 3.247,432 1.983,433 1,434 1.391,436 2.136,437 0.982,438 1.554,439 0.625,440 2.916,441 1.388,442 0.439,443 0.476,445 1,446 0.416,447 1.098,448 0.121,449 2.506,450 0.832,451 -0.142,452 -0.165,454 -0.346,455 -0.138,456 0.933,457 -0.179,458 2.262,459 0.646,460 -0.329,461 -0.39,463 -0.733,464 -0.32,465 0.612,466 -0.608,467 2,468 0.243,469 -0.729,470 -0.86,472 -1.654,473 -0.705,474 12.1,475 0.484,476 0.362,477 0.014,478 33.75,479 1.35,480 18.5,481 0.74,482 15.25,483 0.61,484 17.251,485 0.69,486 26.3,487 0.537,488 22.081,489 0.883,490 6.934,491 0.277,492 5.376,493 0.215,494 0.041,496 0.198,501 0.834,502 1.243,503 0.886,504 1.079,505 0.8,506 1.003,507 1.267,508 1.101,509 1.043,510 1.012,511 0.868,512 1.008,513 1.049,514 1.164,515 1.057,516 1.113,517 0.942,518 1.091,519 1.216,520 0.915,521 0.976,522 0.882,523 1.045,524 0.903,525 1.22,526 1.082,527 1.058,528 1.027,529 1.188,530 1.028,531 1.211,532 0.898,533 1.037,534 0.921,535 1.202,536 0.956,537 0.931,538 1.018,539 0.961,540 0.997,541 0.915,542 0.985,543 1.378,544 1.034,545 1.077,546 0.976,547 1.268,548 0.996,549 3.5,550 0.054,551 1.778,552 0.875,553 0.604,554 0.403,555 0.362,556 0.134,557 0.111,558 0.093,559 8997,560 19590,561 2.11,562 49,564 21,567 1,570 2,572 1.669,573 2.055,574 3.693,575 -0.396,577 1,582 64.843,583 1.323,584 3.001,585 3.997,586 4.752,587 4.987,588 5.028,589 3.113,590 4.084,591 4.617,592 3.868,593 1160.45,594 7.924,595 15578.3,597 1,599 1,600 275.121,601 0.951,602 4.611,603 0.13,604 0.003,605 0.052,606 0.027,607 0.022,608 0.016,609 0.017,610 0.007,611 0.006,612 0.005,613 0.287,614 0.33,615 1,616 0.372,617 125.987,618 0.176,619 -0.068,620 0.06,621 -0.035,622 0.117,623 -0.004,624 -0.058,625 0.016,626 -0.065,627 -0.027,628 0.036,629 -0.043,630 0.013,631 -0.142,632 -0.079,633 -0.135,634 0.033,635 -0.119,636 -0.026,637 0.055,638 0.029,639 0.056,640 0.013,641 0.049,642 -0.097,643 -0.097,644 -0.065,645 -0.073,646 -0.101,647 -0.067,648 -0.053,649 0.062,650 -0.035,651 0.018,652 -0.13,653 -0.002,654 0.095,655 -0.073,656 0.03,657 -0.039,658 0.038,659 -0.015,660 -0.152,661 -0.036,662 -0.076,663 -0.036,664 -0.161,665 -0.046,666 0.842,667 1.296,668 0.72,669 26.931,670 0.985,671 1.125,672 4.074,673 16.599,674 0.666,675 3.332,676 3.555,677 3.738,678 3.912,679 4.078,680 3.951,681 4.025,682 4.007,683 3.97,684 4.007,685 7.781,686 0.619,687 332.49,688 3.332,689 4.812,690 5.609,691 6.428,692 7.238,693 8.061,694 8.876,695 9.702,696 10.52,697 11.347,698 8.2,701 1,703 1,708 2,715 12,716 2,720 4,722 18,734 1,741 49,743 18,744 2,745 27,747 51,748 21,749 16,750 2,751 10,756 3,757 3,770 1,772 16,773 5,790 1,793 24,794 4,795 1,796 4,802 4,808 1,821 1,829 3,855 1,859 3,864 1,868 25,876 4,877 1,881 1,901 12.167,902 8.85,903 5.694,904 2.915,907 2.923,908 1.428,909 0.978,910 6.272,911 9.758,912 3.611,913 4.119,914 4.623,915 5.131,916 5.644,917 5.594,918 5.939,919 6.166,920 6.343,921 6.537,922 0.889,923 32,924 9.195,926 3.685,927 0.026,929 7.467,931 18.051,933 14.241,936 1.967,937 49.167,939 1,940 1,941 270.735,942 142.419,943 54.461,948 142.419,949 270.735,950 54.461,951 8.396,952 8.852,953 113.715,954 51.337,955 12.252,956 2.328,957 270.735,959 270.735,960 196.88,964 247.193,965 23.542,968 14.733,969 130.81,970 51.337,972 270.735,973 54.461,974 142.419,977 270.735,978 20.307,979 125.236,980 18.011,981 33.326,982 270.735,983 54.461,984 142.419,986 0.555,987 0.309,988 0.165,989 0.089,990 14,991 5,992 0.157,993 8,995 1,996 4.027,997 182.874,999 18,1000 108.096,1005 17.283,1006 9.073,1007 5.491,1009 54.461,1010 24.653,1011 8.56,1015 4.156,1017 18.011,1018 467.615,1019 36,1031 48.243,1032 55.145,1034 0.236,1035 0.534,1036 0.712,1037 0.846,1038 0.888,1039 0.895,1040 4.775,1041 1.133,1042 5.517,1043 2.872,1044 4.234,1045 4.804,1046 1.038,1047 6.184,1048 4.179,1049 5.916,1050 1,1051 6.976,1052 2.625,1053 3.434,1054 4.111,1055 0.325,1056 6.763,1057 3.319,1058 7.154,1059 1,1060 8.533,1061 2.275,1062 5.68,1063 6.858,1064 0.697,1065 9.826,1066 5.568,1067 8.427,1068 1,1069 10.152,1070 2.136,1071 5.74,1072 7.011,1073 0.393,1074 11.306,1075 5.573,1076 9.732,1077 0.439,1078 11.813,1079 2.136,1080 7.377,1081 9.176,1082 0.537,1083 13.812,1084 7.214,1085 11.06,1086 -0.142,1087 13.505,1088 1,1089 7.876,1090 9.773,1091 0.384,1092 15.676,1093 7.671,1094 12.407,1095 -0.329,1096 15.218,1097 -0.346,1098 9.212,1099 11.624,1100 0.438,1101 17.98,1102 9.006,1103 2.87,1104 -0.729,1105 16.947,1106 -0.733,1107 9.951,1108 12.487,1109 0.351,1110 20.02,1111 9.713,1112 2.626,1113 9.054,1114 18.689,1115 -1.654,1116 11.134,1117 14.148,1118 0.366,1119 22.248,1120 10.888,1121 2.44,1122 7.392,1123 20.441,1124 3.889,1125 12.006,1126 15.181,1127 0.312,1128 24.37,1129 11.736,1130 2.155,1131 6.919,1132 22.201,1133 3.455,1134 13.11,1135 16.723,1136 0.309,1137 26.573,1138 12.83,1139 1.83,1140 5.515,1141 23.968,1142 3.302,1143 14.056,1144 17.867,1145 0.273,1146 28.733,1147 13.756,1148 1.487,1149 4.521,1150 25.741,1151 2.59,1152 15.123,1153 19.333,1154 0.262,1155 30.93,1156 14.81,1157 1.337,1158 3.132,1159 27.518,1160 2.361,1161 16.11,1162 20.551,1163 0.236,1164 33.109,1165 15.779,1166 8551,1167 12747,1168 18.663,1169 32.637,1170 38.985,1171 38.545,1172 38.897,1173 38.675,1174 38.634,1175 51.308,1176 2.978,1177 99.152,1178 37.589,1179 5.174,1180 4.944,1181 5.945,1182 4.894,1183 4.87,1184 6.889,1185 1.605,1186 15.117,1187 4.816,1188 6.406,1189 1.444,1190 1.428,1191 1.441,1192 1.432,1193 1.431,1194 1.9,1195 0.11,1196 3.672,1197 1.392,1198 3.983,1199 4.024,1200 3.93,1201 3.901,1202 5.054,1203 3.901,1204 3.918,1205 3.955,1206 3.843,1207 3.851,1208 4.756,1209 3.844,1210 3.753,1211 3.809,1212 3.672,1213 3.612,1214 4.702,1215 3.621,1216 3.634,1217 3.701,1218 3.506,1219 3.472,1220 4.284,1221 3.47,1222 3.356,1223 3.445,1224 3.195,1225 3.153,1226 4.096,1227 3.15,1228 3.003,1229 3.077,1230 2.877,1231 2.867,1232 3.884,1233 2.863,1234 2.952,1235 3.048,1236 2.745,1237 2.791,1238 3.706,1239 2.768,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.157,1247 0.109,1248 0.228,1249 0.143,1250 0.106,1251 4.244,1252 0.144,1253 2.944,1254 0.034,1255 6.143,1256 0.335,1257 3.851,1258 0.104,1259 2.87,1260 3.889,1261 0.916,1262 9.054,1263 2.816,1264 1.941,1265 1.912,1266 2.054,1267 2.048,1268 1.264,1269 2.047,1270 1.916,1271 1.884,1272 2.043,1273 2.016,1274 1.13,1275 2.028,1276 1.722,1277 1.667,1278 1.922,1279 1.896,1280 1.108,1281 1.909,1282 1.612,1283 1.549,1284 1.78,1285 1.795,1286 0.837,1287 1.798,1288 1.341,1289 1.255,1290 1.638,1291 1.582,1292 0.762,1293 1.606,1294 1.01,1295 0.94,1296 1.363,1297 1.225,1298 0.505,1299 1.278,1300 0.973,1301 0.895,1302 1.274,1303 1.212,1304 0.455,1305 1.24,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 4.007,1314 5.252,1316 6.691,1318 8.21,1320 9.77,1322 2.154,1328 3.966,1329 3.342,1333 2.335,1340 30.354,1341 64.843,1342 147.028,1343 195.837,1344 232.856,1345 244.366,1346 246.366,1347 30.918,1348 6.834,1349 41.05,1350 41.05,1351 18,1352 11.924,1353 4.248,1354 3.322,1355 42.32,1356 119,1357 97,1358 0.169,1359 190.86,1360 322.32,1361 457.458,1362 9203,1364 17.322,1365 0.693,1366 0.584,1367 17.322,1368 14.598,1369 12.31,1370 0.456,1371 0.321,1372 8.582,1373 11.997,1374 8.337,1375 7.012,1376 12.31,1377 8.666,1378 10.308,1379 0.303,1380 0.182,1381 10.308,1382 6.174,1383 8.228,1384 0.201,1385 0.099,1386 8.228,1387 4.052,1388 6.589,1389 0.134,1390 0.056,1391 6.589,1392 2.729,1393 5.197,1394 0.09,1395 0.03,1396 5.197,1397 1.75,1398 0.281,1399 75.917,1400 0.231,1401 25.426,1402 0.422,1403 122,1404 293.268,1405 128.966,1406 296.85,1407 413.52,1408 280,1409 136,1410 308.913,1411 143.938,1412 319.173,1413 453.55,1414 299,1415 4.886}
{0 CHEMBL1083056,1 1.349,2 11.704,3 4.405,4 19.404,5 108.626,6 6.563,7 0.4,8 4.107,9 4.222,10 3.573,11 3.637,12 5.079,13 3.595,14 4.699,15 4.878,16 3.923,17 4.069,18 5.571,19 4,20 4.986,21 5.2,22 4.024,23 4.26,24 5.831,25 4.149,26 5.113,27 5.355,28 3.926,29 4.285,30 5.908,31 4.136,32 5.143,33 5.405,34 3.86,35 4.24,36 5.915,37 4.08,38 5.068,39 5.331,40 3.71,41 4.155,42 5.85,43 3.976,44 4.97,45 5.258,46 3.492,47 3.978,48 5.716,49 3.786,50 4.71,51 4.993,52 3.395,53 3.783,54 5.429,55 3.614,56 0.053,57 0.75,58 13.386,59 5.827,60 11.051,61 7.769,62 0.225,63 1.273,64 25.117,65 9.723,66 22.663,67 13.304,68 0.336,69 1.645,70 33.514,71 13.055,72 29.739,73 18.283,74 0.301,75 1.773,76 38.251,77 14.837,78 40.314,79 20.791,80 0.498,81 1.75,82 40.014,83 14.856,84 47.196,85 20.895,86 0.447,87 1.627,88 36.964,89 13.9,90 46.634,91 19.644,92 0.438,93 1.438,94 33.896,95 11.967,96 46.599,97 17.216,98 0.227,99 1.131,100 25.73,101 9.579,102 26.594,103 13.714,104 14,105 42,106 0.224,107 0.525,108 0.723,109 0.792,110 0.812,111 0.817,112 3.34,113 0.992,114 -4.61,115 -4.54,116 -4.27,121 41.1,123 4,124 2,126 2,127 2,129 1,144 7,145 2,146 3,176 13,180 6,185 2,187 15,191 1,192 7,197 4,200 11,206 5,211 2,214 10,219 4,222 1,224 2,227 12,232 3,235 1,239 10,244 4,247 1,251 5,256 6,264 5,274 2,277 7,281 1091,282 18.687,283 18.687,284 18.687,285 18.687,286 18.687,287 17.261,288 24.503,289 10.92,290 19.167,291 14.686,292 14.686,293 14.686,294 14.686,295 14.686,296 12.422,297 32.319,298 5.026,299 15.286,300 4.459,301 2.648,302 1.454,303 1.04,304 0.92,305 0.884,306 4.039,311 1,312 1,313 689,314 2.739,317 60.334,318 255.776,321 114.628,325 1.863,326 19.788,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 57.5,338 316,339 4.489,340 3.5,341 6.724,342 4.205,343 3.222,344 4.122,345 0.86,346 10.926,347 3.167,348 4.083,349 3.114,350 6.144,351 3.822,352 2.872,353 3.55,354 0.86,355 9.06,356 2.733,357 3.964,358 3.086,359 6.106,360 3.684,361 2.738,362 3.269,363 0.8,364 8.877,365 2.589,366 3.538,367 2.474,368 5.562,369 3.405,370 2.418,371 2.619,372 0.765,373 7.336,374 2.374,375 3.214,376 2.308,377 5.208,378 2.945,379 1.968,380 2.381,382 6.129,383 1.917,384 3.136,385 2.112,386 4.886,387 2.816,388 1.85,389 2.305,391 5.42,392 1.784,393 2.962,394 1.958,395 4.441,396 2.701,397 1.727,398 2.038,400 4.466,401 1.68,402 2.5,403 1.759,404 4.245,405 2.245,406 1.343,407 1.5,409 3.518,410 1.201,411 2.49,412 1.234,413 3.509,414 2.126,415 1.149,416 1.488,418 2.699,419 1.117,420 2.376,421 1.077,422 3.414,423 2,424 1,425 1.366,427 2.275,428 1,429 2,430 1.028,431 3.259,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.728,439 1,440 3.247,441 1.478,442 0.579,443 0.649,445 1.204,446 0.515,447 1.482,448 0.944,449 2.927,450 1.231,451 0.373,452 0.403,454 0.531,455 0.316,456 1.186,457 0.389,458 2.749,459 1.066,460 0.099,461 0.105,463 0.227,464 0.095,465 0.857,466 -0.005,467 2.419,468 0.622,469 -0.319,470 -0.35,472 -0.667,473 -0.295,474 12.9,475 0.478,476 0.568,477 0.021,478 30.5,479 1.13,480 13.5,481 0.5,482 17,483 0.63,484 26.806,485 0.993,486 30.3,487 0.541,488 20.252,489 0.75,490 5.686,491 0.211,492 7.504,493 0.278,494 0.103,496 0.341,501 0.907,502 1.292,503 0.909,504 1.172,505 0.926,506 1.059,507 1.228,508 1.043,509 1.014,510 0.967,511 0.917,512 0.958,513 0.809,514 1.131,515 1.014,516 1.116,517 0.793,518 1.088,519 0.918,520 1.129,521 1.062,522 1.144,523 1.128,524 1.125,525 1.009,526 0.951,527 1.013,528 0.981,529 0.992,530 0.996,531 0.92,532 1.052,533 1.067,534 1.072,535 1.136,536 1.09,537 1.075,538 0.886,539 1.025,540 0.895,541 1.409,542 0.946,543 0.841,544 0.946,545 0.882,546 0.934,547 0.979,548 0.918,549 5,550 0.126,551 3.111,552 2.076,553 1.338,554 1.178,555 0.538,556 0.265,557 0.241,558 0.16,559 9515,560 20729,561 2.12,562 51.8,563 5,564 18,567 1,569 5,572 1.697,573 2,574 3.512,575 -0.419,577 1,582 75.534,583 1.349,584 3.159,585 4.353,586 4.767,587 4.888,588 4.923,589 2.967,590 4.357,591 4.724,592 3.673,593 1289.11,594 8.18,595 16719.2,597 1,599 1,600 325.212,601 1.352,602 4.694,603 0.167,604 0.006,605 0.074,606 0.047,607 0.035,608 0.034,609 0.019,610 0.012,611 0.011,612 0.007,613 0.411,614 0.33,615 1,616 0.806,617 134.978,618 -0.013,619 -0.095,620 0.066,621 -0.025,622 -0.036,623 0.021,624 -0.13,625 0.076,626 -0.012,627 0.083,628 -0.04,629 0.056,630 0.063,631 -0.063,632 -0.042,633 -0.089,634 0.081,635 -0.078,636 -0.042,637 -0.132,638 -0.095,639 -0.141,640 -0.062,641 -0.126,642 0.013,643 0.002,644 -0.028,645 -0.01,646 -0.008,647 -0.021,648 0.024,649 -0.103,650 -0.094,651 -0.097,652 -0.007,653 -0.11,654 -0.051,655 0.043,656 -0.037,657 0.037,658 -0.114,659 0.004,660 0.004,661 -0.009,662 0.083,663 0.026,664 -0.052,665 0.059,666 1.73,667 4.879,668 0.778,669 27.075,670 0.99,671 1.124,672 3.385,673 11.457,674 0.643,675 3.434,676 3.761,677 4.078,678 4.344,679 4.585,680 4.663,681 4.82,682 4.92,683 4.942,684 5.011,685 6.831,686 0.599,687 367.53,688 3.434,689 4.977,690 5.844,691 6.727,692 7.611,693 8.502,694 9.392,695 10.287,696 11.181,697 12.079,698 1.8,704 1,715 7,720 5,722 12,736 1,739 2,741 56,743 12,744 2,745 30,747 59,748 23,749 12,750 5,751 7,756 4,757 5,767 4,768 2,770 5,772 12,773 11,774 2,790 1,793 29,794 4,795 1,796 4,802 1,808 0.75,809 3,811 1,828 1,829 3,832 1,857 1,859 3,864 2,868 27,875 1,876 6,878 2,880 3,881 1,893 5.4,894 1,898 2,901 13.5,902 10.317,903 6.056,904 3.456,907 2.089,908 1.272,909 0.938,910 5.602,911 9.769,912 3.611,913 4.143,914 4.682,915 5.182,916 5.669,917 5.78,918 6.008,919 6.134,920 6.152,921 6.29,922 0.875,923 44,924 10.053,926 4.283,927 0.026,929 7.512,931 19.918,933 17.048,936 2.012,937 54.333,939 1,940 1,941 329.591,942 122.064,943 3.124,945 64.683,948 122.064,949 394.274,950 3.124,951 21.766,952 14.35,953 109.017,955 44.739,957 329.591,959 329.591,960 125.188,961 64.683,964 270.735,965 80.855,966 42.683,968 14.35,969 110.839,972 329.591,973 67.807,974 122.064,977 329.591,978 33.964,979 91.224,981 64.683,982 329.591,983 67.807,984 122.064,986 0.576,987 0.355,988 0.195,989 0.107,990 21,991 9,992 0.085,993 5,994 1,995 1.095,996 3.938,997 232.283,998 0.095,999 21,1000 120.382,1005 18.64,1006 8.114,1007 3.807,1009 67.807,1010 14.661,1015 4.988,1017 42.683,1018 519.462,1019 36,1031 55.454,1032 62.939,1034 0.232,1035 0.544,1036 0.75,1037 0.821,1038 0.842,1039 0.848,1040 4.868,1041 1.343,1042 5.826,1043 4.466,1044 4.443,1045 4.828,1046 1.806,1047 6.653,1048 4.372,1049 6.032,1050 1.149,1051 7.394,1052 3.518,1053 4.007,1054 4.527,1055 0.325,1056 7.57,1057 3.895,1058 7.322,1059 1,1060 9.062,1061 2.699,1062 6.052,1063 6.903,1064 1.466,1065 10.676,1066 5.924,1067 8.646,1068 1,1069 10.788,1070 2.275,1071 6.463,1072 7.436,1073 0.268,1074 12.417,1075 6.288,1076 10.006,1077 0.579,1078 12.551,1079 2.136,1080 7.953,1081 9.296,1082 1.19,1083 15.031,1084 7.771,1085 11.388,1086 0.373,1087 14.338,1088 1.204,1089 8.753,1090 10.225,1091 0.188,1092 17.118,1093 8.53,1094 12.79,1095 0.099,1096 16.143,1097 0.531,1098 10.023,1099 11.861,1100 0.955,1101 19.564,1102 9.792,1103 3.222,1104 -0.319,1105 17.962,1106 0.227,1107 11.006,1108 12.998,1109 0.125,1110 21.805,1111 10.744,1112 2.872,1113 10.926,1114 19.792,1115 -0.667,1116 12.19,1117 14.523,1118 0.756,1119 24.196,1120 11.917,1121 2.738,1122 9.06,1123 21.63,1124 4.122,1125 13.257,1126 15.776,1127 0.082,1128 26.508,1129 12.962,1130 2.418,1131 8.877,1132 23.475,1133 3.55,1134 14.411,1135 17.244,1136 0.59,1137 28.883,1138 14.105,1139 1.968,1140 7.336,1141 25.327,1142 3.269,1143 15.52,1144 18.563,1145 0.054,1146 31.229,1147 15.196,1148 1.85,1149 6.129,1150 27.184,1151 2.619,1152 16.666,1153 20.001,1154 0.454,1155 33.603,1156 16.33,1157 1.727,1158 5.42,1159 29.045,1160 2.381,1161 17.796,1162 21.359,1163 0.035,1164 35.967,1165 17.446,1166 9003,1167 13371,1168 20.285,1169 36.029,1170 44.723,1171 45.564,1172 46.543,1173 44.63,1174 44.678,1175 53.591,1176 6.569,1177 129.605,1178 42.94,1179 5.489,1180 5.5,1181 6.526,1182 5.24,1183 5.222,1184 7.122,1185 1.72,1186 18.021,1187 5.167,1188 11.731,1189 1.491,1190 1.519,1191 1.551,1192 1.488,1193 1.489,1194 1.786,1195 0.219,1196 4.32,1197 1.431,1198 4.062,1199 4.089,1200 4,1201 3.986,1202 6.45,1203 3.985,1204 3.94,1205 3.978,1206 3.868,1207 3.851,1208 4.917,1209 3.85,1210 3.764,1211 3.807,1212 3.652,1213 3.67,1214 4.765,1215 3.659,1216 3.541,1217 3.576,1218 3.437,1219 3.374,1220 4.495,1221 3.382,1222 3.25,1223 3.316,1224 3.061,1225 2.991,1226 4.341,1227 2.995,1228 3.205,1229 3.28,1230 3.046,1231 2.963,1232 4.244,1233 2.972,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.832,1239 2.91,1240 3.033,1241 3.111,1242 2.844,1243 2.823,1244 3.674,1245 2.811,1246 0.15,1247 0.117,1248 0.224,1249 0.14,1250 0.107,1251 4.489,1252 0.137,1253 3.5,1254 0.029,1255 6.724,1256 0.364,1257 4.205,1258 0.106,1259 3.222,1260 4.122,1261 0.86,1262 10.926,1263 3.167,1264 1.938,1265 1.897,1266 2.103,1267 2.073,1268 1.498,1269 2.086,1270 1.883,1271 1.872,1272 1.981,1273 1.981,1274 1.207,1275 1.972,1276 1.813,1277 1.771,1278 1.96,1279 1.92,1280 1.155,1281 1.943,1282 1.56,1283 1.507,1284 1.785,1285 1.733,1286 1.039,1287 1.753,1288 1.239,1289 1.188,1290 1.575,1291 1.529,1292 0.825,1293 1.541,1294 1.189,1295 1.112,1296 1.574,1297 1.522,1298 0.656,1299 1.538,1300 1.153,1301 1.064,1302 1.513,1303 1.376,1304 0.598,1305 1.429,1306 1.08,1307 1.006,1308 1.368,1309 1.316,1310 0.574,1311 1.336,1312 4.111,1314 5.434,1315 2.398,1316 6.963,1317 4.844,1318 8.58,1319 7.018,1320 10.242,1322 3.303,1327 10.879,1328 6.61,1330 10.831,1332 0.583,1333 2.478,1340 33.541,1341 75.534,1342 176.915,1343 243.786,1344 266.947,1345 273.702,1346 275.702,1347 44.366,1348 7.68,1349 41.93,1350 41.93,1351 23,1352 12.603,1353 3.7,1354 2.807,1355 40.445,1356 111,1357 109,1358 0.179,1359 203.039,1360 356.75,1361 487.176,1362 23016,1364 18.803,1365 0.696,1366 0.601,1367 18.803,1368 16.227,1369 13.19,1370 0.44,1371 0.331,1372 9.792,1373 12.719,1374 9.514,1375 7.873,1376 13.19,1377 9.921,1378 11.501,1379 0.274,1380 0.186,1381 11.501,1382 7.817,1383 10.37,1384 0.179,1385 0.108,1386 10.37,1387 6.265,1388 8.599,1389 0.113,1390 0.062,1391 8.599,1392 4.743,1393 7.101,1394 0.073,1395 0.037,1396 7.101,1397 3.557,1398 0.285,1399 82.524,1400 0.222,1401 26.147,1402 0.48,1403 144,1404 353.266,1405 154.275,1406 335.078,1407 463.11,1408 318,1409 172,1410 336.181,1411 183.247,1412 343.848,1413 503.89,1414 322,1415 6.523}
{0 CHEMBL1083057,1 1.297,2 14.889,3 5.328,4 28.382,5 115.778,6 6.555,7 0.621,8 4.06,9 4.203,10 3.523,11 3.619,12 5.067,13 3.561,14 4.585,15 4.792,16 3.773,17 3.974,18 5.483,19 3.88,20 4.846,21 5.102,22 3.768,23 4.083,24 5.655,25 3.941,26 4.899,27 5.196,28 3.634,29 4.012,30 5.637,31 3.846,32 4.804,33 5.089,34 3.567,35 3.954,36 5.568,37 3.792,38 4.773,39 5.068,40 3.431,41 3.892,42 5.489,43 3.706,44 4.657,45 4.953,46 3.304,47 3.769,48 5.35,49 3.579,50 4.558,51 4.857,52 3.239,53 3.672,54 5.266,55 3.493,56 0.088,57 0.8,58 12.639,59 5.112,60 11.448,61 7.372,62 0.18,63 1.261,64 22.01,65 8.093,66 18.712,67 12.036,68 0.219,69 1.516,70 28.865,71 10.627,72 26.609,73 15.912,74 0.248,75 1.517,76 30.898,77 10.583,78 29.53,79 16.261,80 0.225,81 1.4,82 27.992,83 9.7,84 27.464,85 14.825,86 0.234,87 1.32,88 27.11,89 9.751,90 25.96,91 14.708,92 0.172,93 1.167,94 24.049,95 8.753,96 21.158,97 13.22,98 0.204,99 1.066,100 21.918,101 7.687,102 20.869,103 11.669,104 2,105 36,106 0.215,107 0.495,108 0.671,109 0.805,110 0.852,111 0.858,112 3.338,113 1,114 -5.74,115 -5.6,116 -5.22,121 41.8,123 3,126 1,127 3,144 12,145 2,148 1,149 1,168 1,176 15,180 5,183 1,185 2,187 14,192 8,195 1,197 2,200 9,206 8,211 1,214 6,219 6,224 1,227 8,232 3,235 1,237 2,239 8,244 1,249 2,251 7,255 1,256 1,261 2,264 6,268 1,269 1,274 2,277 6,281 1221,282 18.742,283 18.742,284 18.742,285 18.742,286 18.742,287 16.579,288 16.551,289 11.863,290 18.991,291 14.387,292 14.387,293 14.387,294 14.387,295 14.387,296 11.326,297 23.961,298 5.737,299 14.774,300 4.485,301 2.789,302 1.724,303 0.914,304 0.632,305 0.596,306 4.029,311 1,312 1,313 862,314 3.464,318 324.157,325 2.346,326 9.628,329 0.75,330 0.67,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.79,337 56,338 402,339 4.244,340 2.943,341 6.143,342 3.851,343 2.87,344 3.889,345 0.916,346 9.054,347 2.816,348 3.927,349 2.886,350 5.484,351 3.597,352 2.625,353 3.455,354 0.4,355 7.392,356 2.559,357 3.8,358 2.571,359 5.327,360 3.391,361 2.44,362 3.302,363 0.172,364 6.919,365 2.317,366 3.295,367 2.367,368 4.819,369 3.115,370 2.164,371 2.589,373 5.518,374 2.05,375 3.27,376 1.887,377 4.448,378 2.824,379 1.845,380 2.364,382 4.524,383 1.803,384 2.86,385 1.718,386 3.773,387 2.664,388 1.678,389 1.97,391 3.476,392 1.651,393 2.719,394 1.514,395 3.577,396 2.409,397 1.416,398 1.767,400 3.018,401 1.405,402 2.613,403 1.264,404 3.503,405 2.185,406 1.202,407 1.642,409 2.723,410 1.18,411 2.5,412 1.075,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.5,421 1,422 3.247,423 2,424 1,425 1.5,427 2.169,428 1,429 2.5,430 1,431 3.247,432 1.983,433 1,434 1.5,436 2.136,437 0.982,438 2.095,439 1,440 3.233,441 1.971,442 1,443 1.076,445 2.136,446 0.968,447 1.447,448 0.493,449 2.796,450 1.306,451 0.345,452 0.369,454 0.771,455 0.331,456 1.092,457 0.115,458 2.458,459 0.843,460 -0.132,461 -0.152,463 -0.318,464 -0.129,465 0.938,466 -0.16,467 2.241,468 0.675,469 -0.303,470 -0.352,472 -0.672,473 -0.295,474 13.1,475 0.485,476 0.362,477 0.013,478 34.75,479 1.287,480 18.5,481 0.685,482 16.25,483 0.602,484 20.623,485 0.764,486 28.9,487 0.525,488 22.575,489 0.836,490 6.934,491 0.257,492 6.376,493 0.236,494 0.038,496 0.183,501 0.84,502 1.265,503 0.928,504 1.114,505 0.79,506 1.043,507 1.241,508 1.135,509 1.072,510 1.062,511 0.843,512 1.055,513 1.006,514 1.137,515 1.031,516 1.089,517 0.887,518 1.067,519 1.226,520 0.968,521 0.963,522 0.901,523 1.001,524 0.909,525 1.288,526 1,527 1.048,528 0.965,529 1.172,530 0.983,531 1.076,532 0.906,533 1.029,534 0.958,535 1.1,536 0.984,537 0.998,538 1.019,539 1.007,540 1.015,541 1.025,542 1.013,543 1.159,544 0.856,545 1.009,546 0.898,547 1.123,548 0.933,549 3.5,550 0.07,551 1.778,552 0.875,553 0.604,554 0.458,555 0.321,556 0.102,557 0.123,558 0.077,559 11687,560 24524,561 2.101,562 50.9,563 2,564 21,567 1,569 4,572 1.688,573 2.051,574 3.845,575 -0.419,582 71.327,583 1.297,584 2.992,585 4.058,586 4.867,587 5.149,588 5.186,589 3.264,590 4.162,591 4.729,592 4.038,593 1417.27,594 8.138,595 20899,600 317.975,601 0.909,602 4.724,603 0.121,604 0.004,605 0.049,606 0.026,607 0.021,608 0.017,609 0.014,610 0.005,611 0.006,612 0.004,613 0.267,614 0.33,615 0.88,616 0.352,617 141.217,618 0.184,619 -0.065,620 0.058,621 -0.032,622 0.156,623 -0.003,624 -0.04,625 -0.013,626 -0.073,627 -0.052,628 0.071,629 -0.063,630 0.038,631 -0.122,632 -0.045,633 -0.103,634 0.08,635 -0.085,636 -0.061,637 -0.004,638 0.035,639 0.039,640 0.033,641 0.044,642 -0.12,643 -0.013,644 -0.051,645 -0.015,646 -0.094,647 -0.025,648 -0.029,649 0.046,650 -0.043,651 -0.003,652 -0.098,653 -0.02,654 -0.034,655 -0.082,656 -0.028,657 -0.052,658 -0.084,659 -0.042,660 -0.027,661 0.103,662 -0.015,663 0.046,664 -0.126,665 0.021,666 0.823,667 1.308,668 0.667,669 32.156,670 0.982,671 1.127,672 4.508,673 20.32,674 0.657,675 3.401,676 3.611,677 3.784,678 3.951,679 4.111,680 3.989,681 4.043,682 4.025,683 3.989,684 3.97,685 8.729,686 0.607,687 360.55,688 3.401,689 4.875,690 5.666,691 6.479,692 7.283,693 8.101,694 8.911,695 9.732,696 10.546,697 11.369,698 7.3,701 1,703 1,708 2,715 12,716 2,720 4,722 18,734 1,741 55,743 18,744 2,745 29,747 57,748 23,749 16,750 2,751 10,756 3,757 3,770 3,772 16,773 7,793 28,794 4,795 1,796 4,802 4,808 1,821 1,829 3,855 1,859 3,864 1,868 27,876 6,877 1,881 1,901 13.167,902 9.85,903 6.194,904 3.415,907 2.858,908 1.412,909 0.97,910 7.523,911 9.799,912 3.664,913 4.151,914 4.642,915 5.142,916 5.651,917 5.601,918 5.939,919 6.163,920 6.333,921 6.501,922 0.9,923 34,924 9.952,926 3.971,927 0.026,929 7.432,931 19.684,933 15.574,936 1.932,937 52.167,941 317.82,942 147.488,943 54.461,948 147.488,949 317.82,950 54.461,951 8.396,952 13.921,953 113.715,954 51.337,955 12.252,956 2.328,957 317.82,959 317.82,960 201.949,964 270.735,965 47.084,968 19.802,969 130.81,970 51.337,972 317.82,973 54.461,974 147.488,977 317.82,978 25.377,979 125.236,980 18.011,981 33.326,982 317.82,983 54.461,984 147.488,986 0.551,987 0.304,988 0.162,989 0.087,990 14,991 5,992 0.175,993 10,995 1,996 4.275,997 198.587,999 18,1000 120.382,1005 19.223,1006 10.566,1007 6.597,1009 54.461,1010 24.788,1011 8.587,1015 4.217,1017 18.011,1018 519.769,1019 38,1031 54.01,1032 61.976,1034 0.224,1035 0.518,1036 0.702,1037 0.842,1038 0.891,1039 0.897,1040 4.824,1041 1.202,1042 5.565,1043 3.018,1044 4.29,1045 4.836,1046 1.038,1047 6.217,1048 4.238,1049 5.953,1050 1,1051 7.013,1052 2.723,1053 3.434,1054 4.111,1055 0.325,1056 6.763,1057 3.319,1058 7.183,1059 1,1060 8.56,1061 2.275,1062 5.72,1063 6.871,1064 0.697,1065 9.836,1066 5.613,1067 8.449,1068 1,1069 10.172,1070 2.169,1071 5.74,1072 7.011,1073 0.393,1074 11.306,1075 5.573,1076 9.748,1077 1,1078 11.827,1079 2.136,1080 7.402,1081 9.18,1082 0.537,1083 13.815,1084 7.243,1085 11.072,1086 0.345,1087 13.514,1088 2.136,1089 7.876,1090 9.773,1091 0.384,1092 15.676,1093 7.671,1094 12.416,1095 -0.132,1096 15.224,1097 0.771,1098 9.226,1099 11.625,1100 0.438,1101 17.98,1102 9.023,1103 2.87,1104 -0.303,1105 16.951,1106 -0.318,1107 9.951,1108 12.487,1109 0.351,1110 20.02,1111 9.713,1112 2.625,1113 9.054,1114 18.692,1115 -0.672,1116 11.141,1117 14.148,1118 0.366,1119 22.248,1120 10.898,1121 2.44,1122 7.392,1123 20.443,1124 3.889,1125 12.006,1126 15.181,1127 0.312,1128 24.37,1129 11.736,1130 2.164,1131 6.919,1132 22.202,1133 3.455,1134 13.114,1135 16.723,1136 0.309,1137 26.573,1138 12.835,1139 1.845,1140 5.518,1141 23.969,1142 3.302,1143 14.056,1144 17.867,1145 0.273,1146 28.733,1147 13.756,1148 1.678,1149 4.524,1150 25.741,1151 2.589,1152 15.124,1153 19.333,1154 0.262,1155 30.93,1156 14.813,1157 1.416,1158 3.476,1159 27.519,1160 2.364,1161 16.11,1162 20.551,1163 0.236,1164 33.109,1165 15.779,1166 11105,1167 16237,1168 20.049,1169 36.16,1170 41.472,1171 41.076,1172 41.47,1173 41.219,1174 41.171,1175 53.844,1176 2.978,1177 104.218,1178 40.126,1179 5.194,1180 4.943,1181 5.969,1182 4.893,1183 4.87,1184 6.889,1185 1.605,1186 15.117,1187 4.816,1188 6.869,1189 1.43,1190 1.416,1191 1.43,1192 1.421,1193 1.42,1194 1.857,1195 0.103,1196 3.594,1197 1.384,1198 3.984,1199 4.025,1200 3.93,1201 3.902,1202 5.054,1203 3.902,1204 3.921,1205 3.959,1206 3.844,1207 3.852,1208 4.757,1209 3.845,1210 3.77,1211 3.828,1212 3.676,1213 3.635,1214 4.702,1215 3.635,1216 3.686,1217 3.746,1218 3.561,1219 3.549,1220 4.283,1221 3.546,1222 3.492,1223 3.574,1224 3.338,1225 3.296,1226 4.163,1227 3.295,1228 3.212,1229 3.303,1230 3.04,1231 3.026,1232 3.891,1233 3.016,1234 2.97,1235 3.055,1236 2.818,1237 2.837,1238 3.86,1239 2.826,1240 2.928,1241 3.007,1242 2.722,1243 2.773,1244 3.674,1245 2.748,1246 0.146,1247 0.101,1248 0.212,1249 0.133,1250 0.099,1251 4.244,1252 0.134,1253 2.943,1254 0.032,1255 6.143,1256 0.312,1257 3.851,1258 0.097,1259 2.87,1260 3.889,1261 0.916,1262 9.054,1263 2.816,1264 1.941,1265 1.912,1266 2.058,1267 2.047,1268 1.35,1269 2.047,1270 1.917,1271 1.884,1272 2.044,1273 2.02,1274 1.172,1275 2.033,1276 1.76,1277 1.699,1278 1.986,1279 1.923,1280 1.114,1281 1.946,1282 1.663,1283 1.611,1284 1.816,1285 1.832,1286 0.989,1287 1.835,1288 1.474,1289 1.394,1290 1.729,1291 1.696,1292 0.807,1293 1.714,1294 1.213,1295 1.128,1296 1.543,1297 1.454,1298 0.721,1299 1.488,1300 1.002,1301 0.921,1302 1.361,1303 1.222,1304 0.502,1305 1.275,1306 0.94,1307 0.876,1308 1.226,1309 1.15,1310 0.423,1311 1.182,1312 4.078,1314 5.313,1316 6.739,1318 8.248,1320 9.798,1322 2.19,1328 6.636,1329 3.364,1333 2.385,1340 33.407,1341 71.327,1342 164.577,1343 223.181,1344 267.71,1345 283.22,1346 285.22,1347 36.525,1348 6.941,1349 41.05,1350 41.05,1351 18,1352 11.95,1353 4.248,1354 3.322,1355 47.688,1356 145,1357 116,1358 0.154,1359 210.045,1360 356.92,1361 504.269,1362 11133,1364 18.736,1365 0.694,1366 0.593,1367 18.736,1368 16.012,1369 13.31,1370 0.459,1371 0.333,1372 9.582,1373 12.997,1374 9.317,1375 7.846,1376 13.31,1377 9.666,1378 11.015,1379 0.306,1380 0.191,1381 11.015,1382 6.881,1383 8.728,1384 0.203,1385 0.106,1386 8.728,1387 4.552,1388 6.943,1389 0.136,1390 0.06,1391 6.943,1392 3.064,1393 5.443,1394 0.091,1395 0.033,1396 5.443,1397 1.996,1398 0.261,1399 81.917,1400 0.223,1401 27.418,1402 0.377,1403 130,1404 301.268,1405 136.966,1406 305.173,1407 425.04,1408 288,1409 144,1410 316.913,1411 151.938,1412 327.496,1413 465.07,1414 307,1415 6.131}
{0 CHEMBL1083058,1 1.321,2 13.077,3 4.201,4 17.648,5 109.1,6 6.89,7 0.621,8 3.993,9 4.128,10 3.513,11 3.577,12 5.005,13 3.53,14 4.53,15 4.717,16 3.817,17 3.964,18 5.45,19 3.886,20 4.833,21 5.08,22 3.817,23 4.088,24 5.65,25 3.963,26 4.868,27 5.154,28 3.664,29 4.01,30 5.618,31 3.855,32 4.751,33 5.028,34 3.636,35 3.934,36 5.541,37 3.796,38 4.669,39 4.935,40 3.499,41 3.859,42 5.475,43 3.708,44 4.568,45 4.859,46 3.291,47 3.695,48 5.286,49 3.52,50 4.324,51 4.6,52 3.193,53 3.523,54 5.067,55 3.378,56 0.077,57 0.743,58 11.028,59 4.573,60 9.962,61 6.446,62 0.155,63 1.22,64 19.853,65 7.497,66 16.651,67 10.861,68 0.236,69 1.545,70 28.217,71 10.144,72 25.998,73 15.013,74 0.27,75 1.527,76 30.117,77 10.514,78 28.107,79 15.76,80 0.212,81 1.372,82 26.57,83 9.308,84 25.869,85 13.951,86 0.229,87 1.279,88 24.325,89 8.506,90 26.056,91 12.677,92 0.191,93 1.107,94 22.27,95 8.087,96 21.859,97 12.031,98 0.13,99 0.883,100 17.206,101 6.242,102 15.699,103 9.28,105 38,106 0.222,107 0.511,108 0.664,109 0.775,110 0.814,111 0.82,112 3.303,113 0.961,114 -5.52,115 -5.4,116 -5.04,121 44,123 2,127 3,129 1,144 12,145 2,148 1,149 1,168 1,176 13,180 6,183 1,185 3,187 14,192 7,195 1,197 1,200 9,206 8,209 1,214 8,219 6,224 1,227 9,231 1,232 2,237 3,239 5,243 1,244 1,249 4,251 4,256 1,261 3,264 5,269 4,274 1,277 7,281 1032,282 18.223,283 18.223,284 18.223,285 18.223,286 18.223,287 16.06,288 19.714,289 11.206,290 18.465,291 14.387,292 14.387,293 14.387,294 14.387,295 14.387,296 11.336,297 35.729,298 5.419,299 14.783,300 4.323,301 2.602,302 1.691,303 1.03,304 0.8,305 0.76,306 4.01,311 1,312 1,313 752,314 2.236,318 377.555,325 2.237,326 10.456,328 1,329 0.75,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.86,337 54,338 340,339 4.246,340 3.036,341 6.143,342 3.857,343 2.879,344 3.89,345 0.916,346 9.058,347 2.819,348 3.943,349 2.9,350 5.652,351 3.696,352 2.738,353 3.457,354 0.4,355 7.891,356 2.625,357 3.847,358 2.727,359 5.509,360 3.527,361 2.557,362 3.315,363 0.172,364 7.494,365 2.482,366 3.542,367 2.442,368 5.129,369 3.267,370 2.3,371 2.677,373 6.359,374 2.215,375 3.28,376 2.128,377 4.883,378 2.956,379 2,380 2.52,382 5.657,383 1.906,384 3.068,385 1.792,386 4.428,387 2.74,388 1.763,389 2.172,391 4.453,392 1.719,393 2.811,394 1.515,395 3.592,396 2.409,397 1.415,398 1.901,400 3.038,401 1.405,402 2.623,403 1.173,404 3.504,405 2.142,406 1.156,407 1.677,409 2.701,410 1.139,411 2.5,412 1.077,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.5,421 1,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1,431 3.247,432 1.984,433 1,434 1.5,436 2.136,437 0.983,438 2,439 1,440 3.247,441 1.983,442 1,443 1,445 2.136,446 0.982,447 1.46,448 0.504,449 3.014,450 1.276,451 0.32,452 0.352,454 0.809,455 0.305,456 1.169,457 0.145,458 2.72,459 0.902,460 -0.067,461 -0.079,463 -0.172,464 -0.065,465 0.825,466 -0.325,467 2.335,468 0.528,469 -0.455,470 -0.547,472 -1.058,473 -0.446,474 12.6,475 0.485,476 0.393,477 0.015,478 34.75,479 1.337,480 18.5,481 0.712,482 16.25,483 0.625,484 19.24,485 0.74,486 27,487 0.54,488 22.252,489 0.856,490 6.855,491 0.264,492 6.01,493 0.231,496 0.23,501 0.818,502 1.191,503 0.856,504 1.034,505 0.745,506 0.963,507 1.171,508 1.203,509 1.044,510 1.091,511 0.813,512 1.062,513 1.2,514 1.111,515 1.076,516 1.061,517 0.931,518 1.058,519 1.175,520 0.95,521 0.996,522 0.926,523 1.013,524 0.942,525 1.208,526 0.979,527 0.954,528 0.901,529 1.201,530 0.904,531 1.328,532 1.013,533 1.156,534 1.04,535 1.464,536 1.075,537 0.972,538 0.951,539 0.993,540 0.978,541 1.018,542 0.985,543 1.087,544 0.953,545 0.956,546 0.921,547 0.964,548 0.926,549 4,550 0.049,551 1.778,552 0.875,553 0.827,554 0.333,555 0.439,556 0.269,557 0.119,558 0.071,559 10021,560 21126,561 2.196,562 48,564 19,567 1,570 4,572 1.681,573 2.167,574 3.666,575 -0.408,577 1,582 66.046,583 1.321,584 3.042,585 3.953,586 4.614,587 4.844,588 4.884,589 3.104,590 3.902,591 4.669,592 3.833,593 1245.57,594 8.041,595 16588.3,597 1,599 1,600 282.193,601 0.779,602 4.676,603 0.138,604 0.003,605 0.047,606 0.024,607 0.028,608 0.011,609 0.018,610 0.013,611 0.006,612 0.004,613 0.291,614 0.33,615 0.88,617 131.187,618 0.173,619 -0.037,620 0.072,621 -0.009,622 0.158,623 0.017,624 -0.016,625 -0.095,626 -0.085,627 -0.108,628 0.066,629 -0.103,630 -0.044,631 -0.087,632 -0.09,633 -0.1,634 0.034,635 -0.099,636 -0.02,637 0.02,638 0.01,639 0.022,640 0.017,641 0.019,642 -0.065,643 0.002,644 0.047,645 0.053,646 -0.065,647 0.059,648 -0.12,649 -0.007,650 -0.159,651 -0.093,652 -0.278,653 -0.123,654 0.046,655 -0.012,656 0.004,657 -0.015,658 -0.049,659 -0.01,660 -0.055,661 0.011,662 0.036,663 0.047,664 -0.033,665 0.049,666 0.862,667 1.362,668 0.923,669 29.822,670 0.985,671 1.123,672 4.293,673 18.43,674 0.673,675 3.401,676 3.664,677 3.892,678 4.111,679 4.344,680 4.263,681 4.419,682 4.533,683 4.575,684 4.654,685 7.547,686 0.627,687 344.5,688 3.401,689 4.905,690 5.727,691 6.567,692 7.399,693 8.242,694 9.08,695 9.924,696 10.764,697 11.609,698 8,701 1,703 1,708 2,715 12,716 2,720 4,722 18,734 1,741 50,743 18,744 2,745 29,747 53,748 22,749 16,750 2,751 10,756 4,757 4,767 3,770 3,772 16,773 6,790 1,793 24,794 4,795 1,796 4,802 4,808 1,821 1,829 4,855 1,859 4,868 26,876 5,877 1,880 1,881 1,901 12,902 8.683,903 5.778,904 3.107,907 2.992,908 1.404,909 1.002,910 5.344,911 10.391,912 3.664,913 4.182,914 4.689,915 5.199,916 5.721,917 5.702,918 6.084,919 6.384,920 6.615,921 6.855,922 0.889,923 36,924 9.598,926 3.991,927 0.026,929 7.423,931 19.026,933 15.764,936 1.923,937 50,939 1,940 1,941 270.735,942 136.557,943 54.461,948 136.557,949 270.735,950 54.461,952 11.386,953 113.715,954 51.337,955 12.252,956 2.328,957 270.735,959 270.735,960 191.018,964 223.651,965 47.084,968 17.267,969 122.414,970 51.337,972 270.735,973 54.461,974 136.557,977 270.735,978 22.842,979 116.839,980 18.011,981 33.326,982 270.735,983 54.461,984 136.557,986 0.564,987 0.32,988 0.173,989 0.097,990 18,991 6,992 0.094,993 5,995 1,996 4.113,997 206.974,999 24,1000 110.211,1005 16.898,1006 8.222,1007 4.557,1009 54.461,1010 24.935,1011 8.724,1015 4.266,1017 18.011,1018 461.753,1019 38,1031 49.243,1032 56.145,1034 0.234,1035 0.539,1036 0.7,1037 0.817,1038 0.858,1039 0.865,1040 4.856,1041 1.156,1042 5.652,1043 3.038,1044 4.344,1045 4.868,1046 1.038,1047 6.358,1048 4.289,1049 5.998,1050 1,1051 7.133,1052 2.701,1053 3.611,1054 4.205,1055 0.325,1056 6.986,1057 3.498,1058 7.245,1059 1,1060 8.708,1061 2.275,1062 5.832,1063 6.908,1064 0.697,1065 10.05,1066 5.716,1067 8.521,1068 1,1069 10.341,1070 2.275,1071 5.943,1072 7.072,1073 0.393,1074 11.528,1075 5.769,1076 9.828,1077 1,1078 12.012,1079 2.136,1080 7.563,1081 9.209,1082 0.537,1083 14.041,1084 7.386,1085 11.157,1086 0.32,1087 13.708,1088 2.136,1089 8.095,1090 9.811,1091 0.384,1092 15.886,1093 7.869,1094 12.503,1095 -0.067,1096 15.423,1097 0.809,1098 9.423,1099 11.647,1100 0.438,1101 18.19,1102 9.19,1103 2.879,1104 -0.455,1105 17.152,1106 -0.172,1107 10.183,1108 12.512,1109 0.351,1110 20.209,1111 9.909,1112 2.738,1113 9.058,1114 18.892,1115 -1.058,1116 11.363,1117 14.164,1118 0.366,1119 22.432,1120 11.076,1121 2.557,1122 7.891,1123 20.64,1124 3.89,1125 12.249,1126 15.198,1127 0.312,1128 24.535,1129 11.926,1130 2.3,1131 7.494,1132 22.395,1133 3.457,1134 13.353,1135 16.735,1136 0.309,1137 26.728,1138 13.014,1139 2,1140 6.359,1141 24.156,1142 3.315,1143 14.307,1144 17.879,1145 0.273,1146 28.873,1147 13.938,1148 1.763,1149 5.657,1150 25.922,1151 2.677,1152 15.374,1153 19.344,1154 0.262,1155 31.058,1156 14.987,1157 1.415,1158 4.453,1159 27.693,1160 2.52,1161 16.366,1162 20.561,1163 0.236,1164 33.225,1165 15.952,1166 9249,1167 13550,1168 20.455,1169 33.637,1170 42.571,1171 42.29,1172 42.415,1173 42.302,1174 42.257,1175 54.921,1176 2.978,1177 112.562,1178 41.158,1179 5.246,1180 5.036,1181 5.945,1182 4.902,1183 4.879,1184 6.89,1185 1.605,1186 15.137,1187 4.819,1189 1.468,1190 1.458,1191 1.463,1192 1.459,1193 1.457,1194 1.894,1195 0.103,1196 3.881,1197 1.419,1198 4,1199 4.046,1200 3.94,1201 3.908,1202 5.054,1203 3.908,1204 3.926,1205 3.964,1206 3.852,1207 3.855,1208 4.755,1209 3.849,1210 3.814,1211 3.863,1212 3.717,1213 3.69,1214 4.702,1215 3.69,1216 3.678,1217 3.732,1218 3.595,1219 3.547,1220 4.342,1221 3.552,1222 3.263,1223 3.344,1224 3.136,1225 3.082,1226 3.997,1227 3.082,1228 3.111,1229 3.206,1230 2.877,1231 2.941,1232 3.882,1233 2.91,1234 2.991,1235 3.06,1236 2.866,1237 2.862,1238 3.716,1239 2.86,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.146,1247 0.105,1248 0.212,1249 0.133,1250 0.099,1251 4.246,1252 0.134,1253 3.036,1254 0.032,1255 6.143,1256 0.312,1257 3.857,1258 0.097,1259 2.879,1260 3.89,1261 0.916,1262 9.058,1263 2.819,1264 1.946,1265 1.915,1266 2.081,1267 2.077,1268 1.413,1269 2.08,1270 1.924,1271 1.891,1272 2.042,1273 2.025,1274 1.138,1275 2.032,1276 1.808,1277 1.753,1278 1.988,1279 1.941,1280 1.112,1281 1.959,1282 1.647,1283 1.6,1284 1.777,1285 1.807,1286 0.825,1287 1.804,1288 1.239,1289 1.166,1290 1.513,1291 1.464,1292 0.816,1293 1.478,1294 1.153,1295 1.064,1296 1.494,1297 1.376,1298 0.713,1299 1.429,1300 0.98,1301 0.923,1302 1.227,1303 1.183,1304 0.429,1305 1.205,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.224,1311 1.107,1312 4.078,1314 5.352,1316 6.828,1318 8.383,1320 9.974,1328 5.535,1329 3.544,1332 0.471,1333 2.525,1340 31.354,1341 66.046,1342 152.1,1343 197.663,1344 230.683,1345 242.193,1346 244.193,1347 30.513,1348 7.399,1349 41.05,1350 41.05,1351 24,1352 12.171,1353 4.248,1354 3.322,1355 38.461,1356 119,1357 104,1358 0.156,1359 193.059,1360 327.26,1361 462.824,1362 17983,1364 17.606,1365 0.677,1366 0.572,1367 17.606,1368 14.883,1369 12.865,1370 0.444,1371 0.32,1372 9.209,1373 12.567,1374 9.015,1375 7.488,1376 12.865,1377 9.287,1378 11.041,1379 0.291,1380 0.18,1381 11.041,1382 6.85,1383 9.232,1384 0.192,1385 0.103,1386 9.232,1387 4.923,1388 7.569,1389 0.126,1390 0.058,1391 7.569,1392 3.458,1393 6.381,1394 0.084,1395 0.033,1396 6.381,1397 2.526,1398 0.255,1399 79.121,1400 0.221,1401 25.99,1402 0.398,1403 134,1404 305.268,1405 141.632,1406 308.474,1407 435.02,1408 292,1409 153,1410 330.547,1411 161.604,1412 338.853,1413 487.18,1414 320,1415 4.187}
{0 CHEMBL1083063,1 1.603,2 10.115,3 2.396,4 5.741,5 96.925,6 7.52,7 0.571,8 3.951,9 4.073,10 3.525,11 3.419,12 5.106,13 3.423,14 4.463,15 4.651,16 3.897,17 3.783,18 5.631,19 3.775,20 4.628,21 4.791,22 3.939,23 3.931,24 5.786,25 3.907,26 4.781,27 4.987,28 3.907,29 3.966,30 5.887,31 3.916,32 4.7,33 4.902,34 3.87,35 3.967,36 5.797,37 3.903,38 4.736,39 4.945,40 3.804,41 3.954,42 5.821,43 3.863,44 4.728,45 4.987,46 3.595,47 3.83,48 5.694,49 3.707,50 4.513,51 4.743,52 3.511,53 3.604,54 5.631,55 3.517,56 0.047,57 0.707,58 9.441,59 3.834,60 6.408,61 5.15,62 0.478,63 1.081,64 18.357,65 5.965,66 29.334,67 8.453,68 0.296,69 1.235,70 21.077,71 7.385,72 34.813,73 9.805,74 0.563,75 1.326,76 26.99,77 8.565,78 57.241,79 11.628,80 0.354,81 1.283,82 23.677,83 8.415,84 35.324,85 11.638,86 0.366,87 1.277,88 24.852,89 9.184,90 39.296,91 12.728,92 0.427,93 1.182,94 26.732,95 9.076,96 43.275,97 13.053,98 0.376,99 0.946,100 21.032,101 7.101,102 42.532,103 9.923,104 46,105 40,106 0.273,107 0.606,108 0.738,109 0.839,110 0.847,111 0.847,112 3.304,113 0.883,114 -3.21,115 -3.2,116 -3.07,121 40.4,122 1,126 3,144 7,145 1,146 1,148 1,153 1,155 1,160 1,161 1,163 1,176 6,179 3,180 5,182 1,183 2,185 2,187 5,189 2,192 4,197 1,200 2,203 3,205 1,206 9,211 1,213 1,214 2,216 2,219 6,221 1,224 1,227 5,229 1,231 1,232 4,234 1,237 2,239 6,241 1,244 2,246 2,249 1,251 4,255 2,256 4,259 1,261 1,264 4,269 3,277 1,281 1016,282 16.999,283 16.999,284 16.999,285 16.999,286 16.999,287 14.799,288 17.383,289 9.891,290 17.43,291 13.801,292 13.801,293 13.801,294 13.801,295 13.801,296 10.392,297 19.838,298 4.684,299 14.495,300 3.951,301 1.988,302 1.211,303 0.617,304 0.575,305 0.575,306 3.98,310 1,311 1,312 1,313 547,314 3.808,317 52.513,318 153.101,321 104.31,325 1.595,326 22.773,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 57,338 263,339 4.71,340 3.762,341 6.887,342 4.217,343 3.281,344 4.674,345 2.208,346 11.492,347 3.076,348 4.173,349 3.546,350 6.219,351 3.766,352 2.815,353 3.788,354 1.907,355 9.207,356 2.679,357 3.922,358 3.29,359 5.819,360 3.595,361 2.658,362 3.297,363 0.655,364 7.912,365 2.467,366 3.74,367 2.819,368 5.595,369 3.361,370 2.4,371 3.021,372 0.149,373 7.182,374 2.301,375 3.489,376 2.55,377 5.209,378 3.103,379 2.127,380 2.75,381 0.13,382 6.249,383 2.065,384 3.32,385 2.175,386 4.742,387 2.885,388 1.907,389 2.549,391 4.999,392 1.848,393 3.006,394 1.974,395 4.454,396 2.507,397 1.532,398 2.242,400 4.08,401 1.489,402 2.793,403 1.566,404 4.172,405 2.315,406 1.355,407 1.916,409 3.62,410 1.296,411 2.597,412 1.459,413 3.62,414 2.131,415 1.162,416 1.637,418 2.689,419 1.122,420 2.33,421 1.253,422 3.505,423 1.967,424 1,425 1.254,427 2.272,428 0.949,429 2.302,430 0.969,431 3.428,432 1.861,433 0.889,434 1.189,436 2.254,437 0.862,438 1.332,439 0.669,440 2.752,441 0.976,442 0.01,443 0.012,445 0.024,446 0.009,447 1.179,448 0.579,449 2.526,450 0.741,451 -0.225,452 -0.293,454 -0.562,455 -0.212,456 0.895,457 0.128,458 2.414,459 0.515,460 -0.449,461 -0.563,463 -1.142,464 -0.429,465 0.666,466 -0.289,467 2.371,468 0.205,469 -0.771,470 -1,472 -2,473 -0.747,474 12.1,475 0.465,476 0.809,477 0.031,478 34.75,479 1.337,480 17,481 0.654,482 17.75,483 0.683,484 19.392,485 0.746,486 28.4,487 0.604,488 28.034,489 1.078,490 7.277,491 0.28,492 5.086,493 0.196,494 0.22,496 0.388,501 0.788,502 1.626,503 0.764,504 1.239,505 0.582,506 1.028,507 0.659,508 0.866,509 0.711,510 0.734,511 0.451,512 0.713,513 1.259,514 1.258,515 1.076,516 1.126,517 1.046,518 1.069,519 1.355,520 0.951,521 1.086,522 0.882,523 1.147,524 0.929,525 0.933,526 1.052,527 1.018,528 1.048,529 0.886,530 1.042,531 0.81,532 1.151,533 1.048,534 1.219,535 0.891,536 1.19,537 0.783,538 0.896,539 0.949,540 0.996,541 0.701,542 1.006,543 0.945,544 1.086,545 0.983,546 1.15,547 1.145,548 1.1,549 6,550 0.14,551 3.111,552 2.201,553 1.726,554 0.945,555 0.741,556 0.393,557 0.26,558 0.229,559 7159,560 20684,561 1.992,562 44.7,564 16,565 1,567 1,568 3,572 1.693,573 1.814,574 3.334,575 -0.294,576 1,577 1,582 75.361,583 1.603,584 3.567,585 4.343,586 4.937,587 4.98,588 4.98,589 2.763,590 4.547,591 4.668,592 3.482,593 1131.76,594 8.105,595 13916.9,597 1,599 1,600 261.066,601 1.549,602 4.601,603 0.214,604 0.009,605 0.078,606 0.054,607 0.044,608 0.025,609 0.022,610 0.015,611 0.011,612 0.012,613 0.483,614 0.33,615 1,616 1.419,617 126.395,618 -0.045,619 -0.399,620 0.063,621 -0.181,622 -0.073,623 -0.064,624 0.279,625 0.285,626 0.219,627 0.229,628 0.177,629 0.218,630 -0.212,631 -0.149,632 -0.16,633 -0.122,634 -0.119,635 -0.126,636 -0.189,637 0.059,638 -0.101,639 0.087,640 -0.128,641 0.017,642 -0.082,643 0.001,644 -0.093,645 -0.04,646 -0.038,647 -0.06,648 0.02,649 -0.15,650 -0.117,651 -0.195,652 -0.051,653 -0.187,654 0.03,655 0.02,656 0.035,657 -0.004,658 0.019,659 0.012,660 0.083,661 -0.157,662 0.01,663 -0.164,664 -0.016,665 -0.11,666 2.096,667 4.769,668 0.577,669 23.32,670 1.009,671 1.131,672 1.979,673 3.916,674 0.657,675 3.367,676 3.714,677 3.97,678 4.248,679 4.489,680 4.605,681 4.762,682 4.89,683 4.875,684 4.913,685 6.077,686 0.632,687 353.44,688 3.367,689 4.92,690 5.771,691 6.663,692 7.543,693 8.443,694 9.335,695 10.24,696 11.141,697 12.05,698 8.5,705 2,706 1,708 1,714 1,715 8,720 4,721 1,722 16,737 1,741 47,743 18,744 1,745 28,747 49,748 19,749 13,750 2,751 4,756 3,757 4,763 1,772 15,773 4,777 2,782 2,786 2,789 1,790 1,793 21,794 5,795 1,796 7,799 1,802 4,803 1,808 0.667,809 3,822 1,828 1,829 2,832 1,843 1,859 2,864 4,868 26,877 1,878 1,881 1,893 6.4,896 2,898 1,901 14.333,902 9.817,903 5.667,904 2.624,907 3.403,908 1.464,909 0.97,910 5.181,911 10.732,912 3.664,913 4.301,914 4.899,915 5.548,916 6.127,917 6.534,918 7.016,919 7.481,920 7.736,921 8.087,922 0.857,923 41,924 9.56,926 3.958,927 0.026,929 7.872,931 17.952,933 14.114,936 2.372,937 61.667,940 1,941 235.422,942 136.092,943 24.321,945 61.29,948 136.092,949 296.712,950 24.321,951 34.014,952 21.135,953 75.381,954 58.609,955 25.8,956 18.534,957 223.651,959 235.422,960 160.412,961 61.29,964 235.422,965 61.29,968 38.047,969 120.466,970 1.899,972 235.422,973 85.61,974 136.092,977 235.422,978 26.696,979 115.705,980 18.011,981 61.29,982 235.422,983 85.61,984 136.092,986 0.589,987 0.334,988 0.175,989 0.101,990 19,991 10,992 0.082,993 4,994 1,995 1.133,996 3.646,997 218.852,998 0.133,999 15,1000 120.211,1005 18.264,1006 7.376,1007 3.855,1008 0.918,1009 82.425,1010 14.966,1015 2.977,1016 2.012,1017 18.011,1018 457.124,1019 38,1024 23.207,1028 -0.561,1031 47.4,1032 53.151,1034 0.289,1035 0.642,1036 0.782,1037 0.889,1038 0.897,1039 0.897,1040 4.905,1041 1.355,1042 5.784,1043 4.08,1044 4.394,1045 4.987,1046 2.786,1047 6.621,1048 4.296,1049 6.142,1050 1.162,1051 7.366,1052 3.62,1053 4.111,1054 4.934,1055 2.328,1056 7.582,1057 3.946,1058 7.468,1059 1,1060 9.047,1061 2.689,1062 6.014,1063 7.249,1064 3.937,1065 10.699,1066 5.798,1067 8.83,1068 0.889,1069 10.786,1070 2.272,1071 6.509,1072 8.015,1073 4.068,1074 12.492,1075 6.212,1076 10.224,1077 0.01,1078 12.562,1079 2.254,1080 7.937,1081 9.854,1082 5.286,1083 15.151,1084 7.594,1085 11.642,1086 -0.225,1087 14.364,1088 0.024,1089 8.788,1090 11.021,1091 5.691,1092 17.303,1093 8.36,1094 13.08,1095 -0.449,1096 16.185,1097 -0.562,1098 10.037,1099 12.671,1100 6.718,1101 19.807,1102 9.561,1103 3.281,1104 -0.771,1105 18.023,1106 -1.142,1107 11.055,1108 14.035,1109 7.273,1110 22.117,1111 10.498,1112 2.815,1113 11.492,1114 19.873,1115 -2,1116 12.241,1117 15.609,1118 8.196,1119 24.571,1120 11.629,1121 2.658,1122 9.207,1123 21.733,1124 4.674,1125 13.338,1126 17.067,1127 8.84,1128 26.951,1129 12.651,1130 2.4,1131 7.912,1132 23.603,1133 3.788,1134 14.505,1135 18.614,1136 9.705,1137 29.39,1138 13.759,1139 2.127,1140 7.182,1141 25.48,1142 3.297,1143 15.641,1144 20.115,1145 10.404,1146 31.801,1147 14.823,1148 1.907,1149 6.249,1150 27.364,1151 3.021,1152 16.807,1153 21.654,1154 11.236,1155 34.237,1156 15.926,1157 1.532,1158 4.999,1159 29.253,1160 2.75,1161 17.963,1162 23.175,1163 11.968,1164 36.663,1165 17.013,1166 7195,1167 12330,1168 17.918,1169 30.858,1170 42.905,1171 44.306,1172 44.442,1173 42.308,1174 42.271,1175 56.656,1176 10.098,1177 123.961,1178 40.323,1179 5.537,1180 5.762,1181 6.434,1182 5.281,1183 5.281,1184 7.674,1185 3.912,1186 19.027,1187 5.076,1188 16.194,1189 1.532,1190 1.582,1191 1.587,1192 1.511,1193 1.51,1194 2.023,1195 0.361,1196 4.427,1197 1.44,1198 4.186,1199 4.236,1200 4.157,1201 4.033,1202 7.434,1203 4.057,1204 3.871,1205 3.894,1206 3.819,1207 3.78,1208 7.429,1209 3.785,1210 3.626,1211 3.689,1212 3.543,1213 3.371,1214 4.997,1215 3.4,1216 3.566,1217 3.622,1218 3.475,1219 3.319,1220 4.773,1221 3.347,1222 3.392,1223 3.45,1224 3.28,1225 3.239,1226 4.333,1227 3.243,1228 3.101,1229 3.186,1230 2.943,1231 2.898,1232 4.233,1233 2.895,1234 3.044,1235 3.065,1236 2.911,1237 2.789,1238 4.05,1239 2.81,1240 2.874,1241 3.009,1242 2.684,1243 2.694,1244 3.997,1245 2.685,1246 0.168,1247 0.134,1248 0.246,1249 0.151,1250 0.117,1251 4.71,1252 0.167,1253 3.762,1254 0.079,1255 6.887,1256 0.41,1257 4.217,1258 0.11,1259 3.281,1260 4.674,1261 2.208,1262 11.492,1263 3.076,1264 1.92,1265 1.893,1266 2.012,1267 2.096,1268 1.134,1269 2.071,1270 1.912,1271 1.874,1272 2.002,1273 2.013,1274 1.112,1275 2.01,1276 1.537,1277 1.478,1278 1.784,1279 1.825,1280 0.835,1281 1.81,1282 1.496,1283 1.424,1284 1.726,1285 1.743,1286 0.789,1287 1.738,1288 1.419,1289 1.362,1290 1.672,1291 1.654,1292 0.708,1293 1.66,1294 1.126,1295 1.052,1296 1.417,1297 1.334,1298 0.469,1299 1.356,1300 0.934,1301 0.902,1302 1.383,1303 1.239,1304 0.463,1305 1.308,1306 0.929,1307 0.804,1308 1.142,1309 1.237,1310 0.19,1311 1.189,1312 4.043,1314 5.38,1315 2.398,1316 6.901,1317 4.844,1318 8.509,1319 7.05,1320 10.168,1322 6.694,1329 2.826,1330 5.342,1333 1.374,1340 29.708,1341 75.361,1342 167.64,1343 204.13,1344 232.046,1345 234.046,1346 234.046,1347 42.27,1348 7.33,1349 66.93,1350 66.93,1351 17,1352 12.568,1353 4.248,1354 3.459,1355 44.245,1356 93,1357 92,1358 0.236,1359 185.128,1360 315.41,1361 443.472,1362 14003,1364 18.845,1365 0.725,1366 0.586,1367 18.845,1368 15.238,1369 12.363,1370 0.442,1371 0.294,1372 8.077,1373 11.73,1374 7.751,1375 6.542,1376 12.363,1377 8.244,1378 11.657,1379 0.291,1380 0.158,1381 11.657,1382 6.305,1383 9.209,1384 0.177,1385 0.079,1386 9.209,1387 4.093,1388 7.513,1389 0.109,1390 0.041,1391 7.513,1392 2.822,1393 6.166,1394 0.07,1395 0.022,1396 6.166,1397 1.928,1398 0.365,1399 78.461,1400 0.236,1401 24.845,1402 0.663,1403 136,1404 425.163,1405 154.043,1406 406.244,1407 553.16,1408 378,1409 160,1410 414.32,1411 177.828,1412 417.74,1413 606.75,1414 389,1415 5.602}
{0 CHEMBL1083064,1 1.567,2 8.619,3 2.945,4 8.674,5 79.692,6 7.631,7 0.696,8 3.725,9 3.842,10 3.321,11 3.231,12 4.874,13 3.233,14 4.217,15 4.387,16 3.67,17 3.596,18 5.387,19 3.581,20 4.378,21 4.555,22 3.672,23 3.716,24 5.444,25 3.673,26 4.435,27 4.625,28 3.578,29 3.698,30 5.515,31 3.636,32 4.398,33 4.614,34 3.474,35 3.648,36 5.42,37 3.556,38 4.362,39 4.593,40 3.372,41 3.564,42 5.357,43 3.458,44 4.258,45 4.507,46 3.155,47 3.371,48 5.235,49 3.251,50 4.006,51 4.245,52 3.002,53 3.056,54 5.09,55 2.978,56 0.028,57 0.553,58 7.215,59 3.074,60 5.084,61 3.962,62 0.345,63 0.857,64 13.621,65 4.794,66 25.385,67 6.477,68 0.18,69 0.952,70 16.314,71 6.282,72 19.669,73 8.188,74 0.271,75 0.983,76 17.919,77 6.343,78 30.626,79 8.237,80 0.241,81 0.936,82 17.618,83 6.563,84 25.772,85 8.978,86 0.208,87 0.868,88 17.434,89 6.627,90 23.871,91 9.155,92 0.266,93 0.749,94 16.553,95 5.915,96 27.048,97 8.18,98 0.225,99 0.579,100 12.824,101 4.212,102 21.751,103 5.775,104 13,105 32,106 0.281,107 0.605,108 0.743,109 0.877,110 0.887,111 0.887,112 3.104,113 0.881,114 -3.02,115 -3.02,116 -2.91,121 43.2,126 2,144 7,145 1,146 1,148 1,153 2,161 1,163 1,176 6,179 1,180 4,182 1,183 2,187 5,189 2,192 4,200 2,203 3,206 5,211 2,214 1,216 2,219 3,221 1,224 2,227 4,229 1,231 1,232 2,237 1,239 5,244 1,246 1,250 1,251 3,255 1,256 2,259 1,264 2,269 1,274 1,281 548,282 14.301,283 14.301,284 14.301,285 14.301,286 14.301,287 12.276,288 9.915,289 8.436,290 14.692,291 11.293,292 11.293,293 11.293,294 11.293,295 11.293,296 8.203,297 8.583,298 3.942,299 11.883,300 3.642,301 1.829,302 1.058,303 0.311,304 0.257,305 0.257,306 3.783,310 1,311 1,312 1,313 387,314 2.828,317 39.988,318 117.852,321 79.47,325 1.351,326 12.48,327 1,328 1,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 45.5,338 181,339 4.656,340 3.66,341 6.798,342 4.168,343 3.229,344 4.599,345 2.186,346 11.152,347 3.041,348 4.114,349 3.256,350 6.019,351 3.674,352 2.72,353 3.743,354 0.366,355 8.596,356 2.589,357 3.743,358 2.757,359 5.469,360 3.357,361 2.413,362 3.093,364 7.218,365 2.253,366 3.457,367 2.371,368 5.036,369 3.008,370 2.042,371 2.729,373 5.583,374 1.959,375 3.214,376 1.909,377 4.762,378 2.73,379 1.791,380 2.501,382 5.132,383 1.676,384 2.997,385 1.555,386 4.382,387 2.492,388 1.515,389 2.224,391 3.974,392 1.474,393 2.749,394 1.328,395 3.612,396 2.258,397 1.277,398 1.861,400 2.884,401 1.25,402 2.558,403 1.106,404 3.497,405 2.059,406 1.076,407 1.585,409 2.53,410 1.055,411 2.112,412 1.095,413 3.355,414 1.645,415 0.676,416 0.95,418 1.669,419 0.653,420 1.507,421 0.735,422 2.835,423 1.298,424 0.383,425 0.409,427 0.557,428 0.346,429 1.179,430 0.622,431 2.626,432 0.73,433 -0.248,434 -0.326,436 -0.558,437 -0.237,438 0.99,439 -0.247,440 2.209,441 0.609,442 -0.35,443 -0.446,445 -0.868,446 -0.333,447 0.674,448 -0.374,449 2,450 0.207,451 -0.764,452 -1.052,454 -1.905,455 -0.734,456 0.616,457 -0.733,458 2,459 0.095,460 -0.874,461 -1.298,463 -2.155,464 -0.849,465 0.479,466 -0.876,467 1.79,468 -0.001,469 -1,470 -1.405,472 -2.59,473 -0.985,474 9.867,475 0.47,476 0.486,477 0.023,478 29.25,479 1.393,480 15,481 0.714,482 14.25,483 0.679,484 13.103,485 0.624,486 22.233,487 0.601,488 20.58,489 0.98,490 6.151,491 0.293,492 4.035,493 0.192,494 0.135,496 0.334,501 0.838,502 1.479,503 0.75,504 1.136,505 0.612,506 0.955,507 0.708,508 0.888,509 0.796,510 0.785,511 0.448,512 0.783,513 1.103,514 1.114,515 0.956,516 1.029,517 0.807,518 0.979,519 1.38,520 1.073,521 1.205,522 1.046,523 1.213,524 1.086,525 0.866,526 1.021,527 1.04,528 1.064,529 0.953,530 1.079,531 0.749,532 1.038,533 0.958,534 1.117,535 0.788,536 1.087,537 0.888,538 0.886,539 0.973,540 1.008,541 0.867,542 1.018,543 1.13,544 1.009,545 0.971,546 1.05,547 1.265,548 1.005,549 4,550 0.04,551 2.222,552 1.889,553 1.049,554 0.524,555 0.405,556 0.218,557 0.177,558 0.08,559 4154,560 11314,561 2.074,562 43.2,564 13,565 2,567 1,572 1.633,573 1.938,574 3.121,575 -0.291,576 1,577 1,579 1,582 57.995,583 1.567,584 3.38,585 4.151,586 4.898,587 4.952,588 4.952,589 2.547,590 4.392,591 4.363,592 3.23,593 678.311,594 7.482,595 7077.99,596 1,597 1,598 1,599 1,600 192.75,601 1.418,602 4.322,603 0.174,604 0.007,605 0.069,606 0.059,607 0.037,608 0.021,609 0.018,610 0.013,611 0.013,612 0.009,613 0.42,614 0.83,615 1,616 1.238,617 94.091,618 -0.045,619 -0.317,620 0.064,621 -0.14,622 -0.076,623 -0.04,624 0.287,625 0.246,626 0.112,627 0.16,628 0.213,629 0.121,630 -0.131,631 -0.089,632 -0.041,633 -0.034,634 -0.036,635 -0.024,636 -0.264,637 -0.053,638 -0.26,639 -0.081,640 -0.157,641 -0.154,642 -0.026,643 -0.038,644 -0.098,645 -0.075,646 -0.061,647 -0.095,648 0.064,649 -0.11,650 0.004,651 -0.113,652 -0.001,653 -0.074,654 0.074,655 0.004,656 0.039,657 -0.02,658 0.021,659 -0.007,660 0.087,661 -0.098,662 0.072,663 -0.102,664 0.028,665 -0.038,666 2.14,667 4.294,668 0.714,669 15.347,670 1.005,671 1.125,672 1.792,673 3.213,674 0.672,675 3.178,676 3.497,677 3.784,678 4.06,679 4.263,680 4.317,681 4.443,682 4.543,683 4.477,684 4.466,685 5.166,686 0.646,687 282.35,688 3.178,689 4.71,690 5.565,691 6.447,692 7.324,693 8.217,694 9.104,695 10.002,696 10.895,697 11.796,698 8.1,705 1,706 1,708 1,714 1,715 9,720 3,721 1,722 16,737 1,741 37,743 17,744 1,745 23,747 39,748 16,749 13,750 2,751 4,756 3,757 4,772 14,773 2,777 1,782 1,786 1,789 1,790 1,793 16,794 3,795 1,796 5,799 1,802 3,803 1,808 0.667,809 2,822 1,828 1,829 2,832 1,859 2,864 2,868 21,877 1,878 1,893 5.4,896 1,898 1,901 10.833,902 7.283,903 4.694,904 2.114,907 3.296,908 1.482,909 0.998,910 3.73,911 10.14,912 3.497,913 4.139,914 4.774,915 5.422,916 5.977,917 6.324,918 6.795,919 7.24,920 7.443,921 7.767,922 0.833,923 32,924 7.698,926 3.183,927 0.026,929 7.754,931 14.61,933 11.587,936 2.254,937 47.333,941 176.567,942 120.885,943 21.196,945 36.145,948 120.885,949 212.711,950 21.196,951 16.793,952 18.011,953 84.429,954 28.759,955 23.472,956 30.305,957 153.024,959 176.567,960 142.081,961 36.145,964 176.567,965 36.145,968 23.769,969 116.413,970 1.899,972 176.567,973 57.341,974 120.885,977 176.567,978 19.664,979 104.407,980 18.011,981 36.145,982 176.567,983 57.341,984 120.885,986 0.576,987 0.343,988 0.185,989 0.101,990 16,991 7,992 0.077,993 3,994 1,995 1.133,996 3.317,997 162.183,998 0.133,999 15,1000 88.239,1005 13.798,1006 5.676,1007 2.681,1008 1.088,1009 54.156,1010 17.568,1015 2.549,1016 2.096,1017 18.011,1018 354.793,1019 32,1024 11.294,1028 -0.474,1031 37.203,1032 41.613,1034 0.301,1035 0.649,1036 0.797,1037 0.94,1038 0.951,1039 0.951,1040 4.71,1041 1.076,1042 5.549,1043 2.884,1044 4.174,1045 4.824,1046 2.255,1047 6.372,1048 4.073,1049 5.935,1050 0.676,1051 7.114,1052 2.53,1053 3.761,1054 4.677,1055 1.784,1056 7.294,1057 3.583,1058 7.253,1059 0.383,1060 8.781,1061 1.669,1062 5.771,1063 7.104,1064 3.49,1065 10.424,1066 5.557,1067 8.613,1068 -0.248,1069 10.509,1070 0.557,1071 6.196,1072 7.818,1073 3.59,1074 12.206,1075 5.894,1076 10.005,1077 -0.35,1078 12.277,1079 -0.558,1080 7.677,1081 9.711,1082 4.905,1083 14.858,1084 7.344,1085 11.423,1086 -0.764,1087 14.073,1088 -0.868,1089 8.497,1090 10.846,1091 5.289,1092 17.001,1093 8.079,1094 12.862,1095 -0.874,1096 15.891,1097 -1.905,1098 9.77,1099 12.518,1100 6.387,1101 19.491,1102 9.314,1103 3.229,1104 -1,1105 17.726,1106 -2.155,1107 10.775,1108 13.859,1109 6.93,1110 21.785,1111 10.241,1112 2.72,1113 11.152,1114 19.574,1115 -2.59,1116 11.969,1117 15.437,1118 7.902,1119 24.22,1120 11.39,1121 2.413,1122 8.596,1123 21.433,1124 4.599,1125 13.059,1126 16.875,1127 8.539,1128 26.579,1129 12.409,1130 2.042,1131 7.218,1132 23.301,1133 3.743,1134 14.227,1135 18.416,1136 9.436,1137 28.996,1138 13.524,1139 1.791,1140 5.583,1141 25.177,1142 3.093,1143 15.356,1144 19.899,1145 10.13,1146 31.382,1147 14.587,1148 1.515,1149 5.132,1150 27.058,1151 2.729,1152 16.517,1153 21.427,1154 10.981,1155 33.794,1156 15.692,1157 1.277,1158 3.974,1159 28.945,1160 2.501,1161 17.665,1162 22.931,1163 11.71,1164 36.193,1165 16.776,1166 4108,1167 6875,1168 15.315,1169 24.875,1170 34.39,1171 35.699,1172 35.875,1173 34.246,1174 34.243,1175 47.387,1176 5.105,1177 98.591,1178 32.591,1179 5.453,1180 5.66,1181 6.479,1182 5.221,1183 5.229,1184 7.599,1185 3.889,1186 18.519,1187 5.041,1188 9.77,1189 1.495,1190 1.552,1191 1.56,1192 1.489,1193 1.489,1194 2.06,1195 0.222,1196 4.287,1197 1.417,1198 4.177,1199 4.227,1200 4.143,1201 4.027,1202 7.435,1203 4.049,1204 3.863,1205 3.886,1206 3.81,1207 3.775,1208 5.005,1209 3.779,1210 3.535,1211 3.593,1212 3.454,1213 3.306,1214 4.776,1215 3.317,1216 3.422,1217 3.49,1218 3.31,1219 3.197,1220 4.328,1221 3.233,1222 3.099,1223 3.186,1224 2.937,1225 2.905,1226 4.219,1227 2.899,1228 3.014,1229 3.055,1230 2.84,1231 2.771,1232 4.014,1233 2.778,1234 2.828,1235 2.904,1236 2.679,1237 2.688,1238 3.876,1239 2.679,1240 2.773,1241 2.842,1242 2.583,1243 2.621,1244 3.594,1245 2.597,1246 0.202,1247 0.159,1248 0.296,1249 0.181,1250 0.14,1251 4.656,1252 0.2,1253 3.66,1254 0.095,1255 6.798,1256 0.485,1257 4.168,1258 0.132,1259 3.229,1260 4.599,1261 2.186,1262 11.152,1263 3.041,1264 1.916,1265 1.893,1266 2.015,1267 2.079,1268 1.13,1269 2.062,1270 1.906,1271 1.863,1272 2.006,1273 2.01,1274 1.096,1275 2.008,1276 1.503,1277 1.447,1278 1.706,1279 1.763,1280 0.781,1281 1.74,1282 1.392,1283 1.317,1284 1.683,1285 1.68,1286 0.681,1287 1.685,1288 1.126,1289 1.051,1290 1.385,1291 1.333,1292 0.463,1293 1.356,1294 0.929,1295 0.888,1296 1.152,1297 1.237,1298 0.186,1299 1.207,1300 0.833,1301 0.772,1302 1.102,1303 1.029,1304 0.181,1305 1.057,1306 0.804,1307 0.727,1308 1.072,1309 0.996,1310 0.145,1311 1.037,1312 3.85,1314 5.165,1315 2.398,1316 6.681,1317 4.844,1318 8.286,1319 7.034,1320 9.938,1322 3.545,1329 2.435,1330 5.174,1340 23.918,1341 57.995,1342 125.059,1343 153.589,1344 181.24,1345 183.24,1346 183.24,1347 23.833,1348 6.844,1349 46.62,1350 46.62,1351 17,1352 12.319,1353 4.17,1354 3.322,1355 32.146,1356 64,1357 70,1358 0.251,1359 148.488,1360 246.36,1361 354.07,1362 7589,1364 14.82,1365 0.706,1366 0.57,1367 14.82,1368 11.96,1369 10.186,1370 0.443,1371 0.294,1372 6.626,1373 9.717,1374 6.435,1375 5.405,1376 10.186,1377 6.751,1378 9.009,1379 0.282,1380 0.151,1381 9.009,1382 4.828,1383 7.755,1384 0.18,1385 0.082,1386 7.755,1387 3.506,1388 6.396,1389 0.112,1390 0.043,1391 6.396,1392 2.437,1393 5.11,1394 0.073,1395 0.023,1396 5.11,1397 1.619,1398 0.384,1399 64.264,1400 0.256,1401 20.611,1402 0.713,1403 110,1404 323.782,1405 123.025,1406 311.399,1407 431.87,1408 292,1409 130,1410 329.374,1411 142.837,1412 330.996,1413 483.24,1414 311,1415 6.456}
{0 CHEMBL1083065,1 1.333,2 13.207,3 4.815,4 23.186,5 116.689,6 6.559,7 0.375,8 4.164,9 4.282,10 3.631,11 3.712,12 5.126,13 3.664,14 4.764,15 4.95,16 3.965,17 4.137,18 5.62,19 4.06,20 5.04,21 5.256,22 4.065,23 4.318,24 5.88,25 4.201,26 5.167,27 5.416,28 4.021,29 4.332,30 5.989,31 4.188,32 5.184,33 5.445,34 3.906,35 4.286,36 6.009,37 4.129,38 5.09,39 5.345,40 3.744,41 4.237,42 5.865,43 4.057,44 5.07,45 5.359,46 3.616,47 4.137,48 5.764,49 3.936,50 4.88,51 5.165,52 3.502,53 3.928,54 5.622,55 3.75,56 0.043,57 0.799,58 14.072,59 6.274,60 8.908,61 8.409,62 0.232,63 1.362,64 26.728,65 10.455,66 20.091,67 14.37,68 0.334,69 1.732,70 35.257,71 14.076,72 31.851,73 19.617,74 0.378,75 1.883,76 40.388,77 15.667,78 43.601,79 22.101,80 0.537,81 1.847,82 41.783,83 15.389,84 58.495,85 21.631,86 0.347,87 1.718,88 37.437,89 14.59,90 45.651,91 20.477,92 0.32,93 1.638,94 36.772,95 14.14,96 37.504,97 20.229,98 0.286,99 1.352,100 30.604,101 11.242,102 33.798,103 16.125,104 14,105 44,106 0.217,107 0.509,108 0.723,109 0.803,110 0.824,111 0.84,112 3.408,113 1.006,114 -4.95,115 -4.86,116 -4.56,121 41.7,123 5,124 2,126 2,127 3,144 7,145 3,146 2,159 1,176 16,180 7,187 19,191 1,192 9,200 13,205 1,206 9,214 10,218 1,219 7,227 12,232 4,239 12,244 6,251 9,256 5,264 6,268 1,269 3,277 7,281 1336,282 20.102,283 20.102,284 20.102,285 20.102,286 20.102,287 18.531,288 24.383,289 11.869,290 20.515,291 15.68,292 15.68,293 15.68,294 15.68,295 15.68,296 13.184,297 28.687,298 5.464,299 16.142,300 4.574,301 2.789,302 1.478,303 0.984,304 0.858,305 0.758,306 4.107,311 1,312 1,313 832,314 3.082,317 67.891,318 282.777,321 126.452,325 2.007,326 21.782,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 61.5,338 383,339 4.617,340 3.77,341 6.988,342 4.297,343 3.303,344 4.284,345 1.277,346 11.88,347 3.285,348 3.941,349 3.138,350 6.073,351 3.695,352 2.731,353 3.457,354 0.916,355 8.706,356 2.64,357 3.872,358 3.018,359 5.617,360 3.587,361 2.63,362 3.192,363 0.86,364 7.788,365 2.52,366 3.606,367 2.85,368 5.423,369 3.456,370 2.461,371 2.661,372 0.86,373 6.971,374 2.434,375 3.413,376 2.554,377 5.315,378 3.126,379 2.129,380 2.607,381 0.172,382 6.428,383 2.13,384 3.175,385 2.245,386 4.955,387 3.005,388 2.03,389 2.247,391 5.855,392 1.957,393 2.916,394 2.208,395 4.746,396 2.604,397 1.619,398 1.991,400 4.827,401 1.587,402 2.831,403 1.681,404 4.337,405 2.436,406 1.476,407 1.929,409 3.785,410 1.42,411 2.705,412 1.515,413 3.594,414 2.395,415 1.411,416 1.727,418 3.041,419 1.371,420 2.5,421 1.189,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2,430 1.077,431 3.352,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.929,439 1.008,440 3.247,441 1.669,442 0.743,443 0.849,445 1.633,446 0.675,447 1.717,448 1,449 3.156,450 1.627,451 0.672,452 0.696,454 1.361,455 0.643,456 1.46,457 0.808,458 2.832,459 1.192,460 0.319,461 0.349,463 0.46,464 0.275,465 1.206,466 0.496,467 2.651,468 1.043,469 0.07,470 0.076,472 0.17,473 0.068,474 13.9,475 0.479,476 0.568,477 0.02,478 32.5,479 1.121,480 14.5,481 0.5,482 18,483 0.621,484 29.104,485 1.004,486 32.3,487 0.538,488 22.317,489 0.77,490 6.096,491 0.21,492 8.094,493 0.279,494 0.096,496 0.317,501 0.755,502 1.302,503 0.891,504 1.191,505 0.561,506 1.075,507 1.174,508 0.993,509 1.012,510 0.949,511 0.714,512 0.95,513 0.777,514 1.136,515 1,516 1.123,517 0.855,518 1.089,519 0.752,520 1.119,521 0.959,522 1.111,523 0.716,524 1.066,525 1.127,526 0.936,527 1.04,528 0.947,529 1.086,530 0.978,531 1.004,532 1.054,533 1.151,534 1.094,535 1.34,536 1.135,537 0.789,538 0.961,539 0.962,540 0.975,541 1.035,542 0.989,543 0.952,544 0.974,545 0.95,546 0.948,547 1.229,548 0.948,549 5,550 0.111,551 2.889,552 2.104,553 1.743,554 0.844,555 0.509,556 0.354,557 0.194,558 0.178,559 12079,560 26310,561 2.111,562 51.7,563 6,564 19,568 2,569 4,572 1.713,573 2,574 3.643,575 -0.853,582 79.982,583 1.333,584 3.118,585 4.429,586 4.923,587 5.048,588 5.148,589 3.125,590 4.444,591 4.828,592 3.833,593 1556.08,594 8.376,595 21868.8,597 1,600 354.413,601 1.314,602 4.8,603 0.156,604 0.005,605 0.066,606 0.046,607 0.041,608 0.023,609 0.016,610 0.013,611 0.008,612 0.008,613 0.383,614 0.33,615 1,616 0.772,617 150.013,618 0.024,619 -0.113,620 0.073,621 -0.048,622 0.044,623 0.007,624 -0.122,625 0.121,626 -0.013,627 0.091,628 -0.018,629 0.06,630 0.082,631 -0.086,632 -0.03,633 -0.095,634 0.037,635 -0.077,636 0.109,637 -0.127,638 0.01,639 -0.117,640 0.129,641 -0.072,642 -0.016,643 0.027,644 -0.043,645 0.016,646 0.02,647 -0.012,648 -0.113,649 -0.077,650 -0.183,651 -0.104,652 -0.149,653 -0.145,654 -0.023,655 -0.028,656 -0.006,657 -0.01,658 -0.065,659 -0.008,660 -0.028,661 -0.031,662 0.028,664 -0.088,665 0.017,666 1.474,667 5.649,668 0.724,669 31.736,670 0.989,671 1.123,672 3.724,673 13.866,674 0.647,675 3.497,676 3.807,677 4.111,678 4.394,679 4.605,680 4.615,681 4.745,682 4.844,683 4.844,684 4.883,685 7.592,686 0.601,687 393.57,688 3.497,689 5.03,690 5.889,691 6.77,692 7.646,693 8.534,694 9.42,695 10.313,696 11.204,697 12.101,698 1.7,701 1,715 7,720 5,722 12,727 1,739 2,741 60,743 13,744 2,745 32,747 63,748 25,749 12,750 5,751 7,752 1,756 4,757 5,767 3,768 2,770 5,772 13,773 12,774 2,777 1,782 1,786 1,793 31,794 4,796 4,802 1,808 0.75,809 3,828 1,829 3,832 1,855 1,859 3,864 2,868 29,876 8,878 2,880 2,881 1,893 5,896 1,898 2,901 14.5,902 11.2,903 6.556,904 3.814,907 2.12,908 1.273,909 0.962,910 6.442,911 9.891,912 3.689,913 4.205,914 4.741,915 5.26,916 5.721,917 5.776,918 6.016,919 6.164,920 6.176,921 6.118,922 0.889,923 46,924 10.805,926 4.567,927 0.026,929 7.523,931 21.43,933 18.171,936 2.023,937 58.667,939 1,940 1,941 364.904,942 132.267,943 3.124,945 47.145,948 132.267,949 412.049,950 3.124,951 21.766,952 18.99,953 66.334,954 30.278,955 45.168,957 364.904,959 364.904,960 135.391,961 47.145,964 317.82,965 94.229,968 22.114,969 113.277,972 364.904,973 50.269,974 132.267,977 364.904,978 44.167,979 91.224,981 47.145,982 364.904,983 50.269,984 132.267,986 0.571,987 0.349,988 0.199,989 0.108,990 21,991 9,992 0.111,993 7,994 1,995 1.095,996 4.156,997 250.513,998 0.095,999 21,1000 130.881,1005 20.28,1006 9.212,1007 4.452,1009 50.269,1010 14.738,1015 4.54,1018 547.44,1019 39,1024 12.649,1028 0.193,1031 59.338,1032 67.355,1034 0.226,1035 0.528,1036 0.75,1037 0.833,1038 0.855,1039 0.872,1040 4.934,1041 1.476,1042 5.861,1043 4.827,1044 4.489,1045 4.89,1046 2.166,1047 6.678,1048 4.443,1049 6.095,1050 1.411,1051 7.419,1052 3.785,1053 4.007,1054 4.59,1055 0.325,1056 7.612,1057 3.955,1058 7.382,1059 1,1060 9.079,1061 3.041,1062 6.08,1063 6.966,1064 2.248,1065 10.739,1066 6.003,1067 8.705,1068 1,1069 10.803,1070 2.275,1071 6.463,1072 7.537,1073 0.393,1074 12.572,1075 6.378,1076 10.066,1077 0.743,1078 12.57,1079 2.136,1080 7.971,1081 9.39,1082 2.486,1083 15.233,1084 7.874,1085 11.454,1086 0.672,1087 14.368,1088 1.633,1089 8.768,1090 10.385,1091 0.384,1092 17.448,1093 8.666,1094 12.866,1095 0.319,1096 16.19,1097 1.361,1098 10.055,1099 12.021,1100 2.829,1101 19.972,1102 9.947,1103 3.303,1104 0.07,1105 18.033,1106 0.46,1107 11.054,1108 13.235,1109 0.351,1110 22.343,1111 10.945,1112 2.731,1113 11.88,1114 19.891,1115 0.17,1116 12.26,1117 14.772,1118 3.238,1119 24.828,1120 12.147,1121 2.63,1122 8.706,1123 21.763,1124 4.284,1125 13.356,1126 16.099,1127 0.312,1128 27.261,1129 13.243,1130 2.461,1131 7.788,1132 23.647,1133 3.457,1134 14.536,1135 17.59,1136 3.684,1137 29.736,1138 14.423,1139 2.129,1140 6.971,1141 25.541,1142 3.192,1143 15.679,1144 18.977,1145 0.273,1146 32.193,1147 15.565,1148 2.03,1149 6.428,1150 27.443,1151 2.661,1152 16.856,1153 20.446,1154 4.15,1155 34.667,1156 16.742,1157 1.619,1158 5.855,1159 29.351,1160 2.607,1161 18.021,1162 21.865,1163 0.236,1164 37.134,1165 17.906,1166 11422,1167 16987,1168 21.671,1169 38.79,1170 47.237,1171 48.602,1172 49.097,1173 47.074,1174 47.189,1175 57.129,1176 8.173,1177 134.633,1178 45.972,1179 5.617,1180 5.77,1181 6.79,1182 5.332,1183 5.303,1184 7.284,1185 2.555,1186 19.304,1187 5.285,1188 12.43,1189 1.476,1190 1.519,1191 1.534,1192 1.471,1193 1.475,1194 1.785,1195 0.255,1196 4.207,1197 1.437,1198 4.062,1199 4.084,1200 4.013,1201 3.987,1202 7.427,1203 3.989,1204 3.943,1205 3.982,1206 3.861,1207 3.863,1208 4.909,1209 3.857,1210 3.817,1211 3.864,1212 3.703,1213 3.715,1214 4.755,1215 3.705,1216 3.565,1217 3.606,1218 3.461,1219 3.412,1220 4.492,1221 3.415,1222 3.363,1223 3.421,1224 3.233,1225 3.178,1226 4.358,1227 3.182,1228 3.251,1229 3.316,1230 3.081,1231 3.006,1232 4.292,1233 3.012,1234 3.169,1235 3.242,1236 2.973,1237 2.942,1238 3.947,1239 2.932,1240 3.118,1241 3.206,1242 2.938,1243 2.941,1244 3.761,1245 2.91,1246 0.144,1247 0.118,1248 0.218,1249 0.134,1250 0.103,1251 4.617,1252 0.134,1253 3.77,1254 0.04,1255 6.988,1256 0.371,1257 4.297,1258 0.103,1259 3.303,1260 4.284,1261 1.277,1262 11.88,1263 3.285,1264 1.94,1265 1.904,1266 2.109,1267 2.071,1268 1.502,1269 2.087,1270 1.899,1271 1.882,1272 2.026,1273 1.99,1274 1.282,1275 1.997,1276 1.83,1277 1.789,1278 1.957,1279 1.946,1280 1.141,1281 1.954,1282 1.618,1283 1.572,1284 1.821,1285 1.789,1286 1.041,1287 1.803,1288 1.325,1289 1.268,1290 1.584,1291 1.551,1292 0.847,1293 1.56,1294 1.213,1295 1.156,1296 1.566,1297 1.51,1298 0.825,1299 1.529,1300 1.184,1301 1.107,1302 1.557,1303 1.494,1304 0.644,1305 1.515,1306 1.153,1307 1.064,1308 1.513,1309 1.376,1310 0.576,1311 1.429,1312 4.174,1314 5.485,1315 2.398,1316 7,1317 4.844,1318 8.609,1319 7.034,1320 10.269,1322 3.229,1328 8.794,1330 10.873,1332 1.084,1333 2.567,1340 36.068,1341 79.982,1342 187.071,1343 265.742,1344 295.394,1345 302.904,1346 308.904,1347 51.162,1348 7.771,1349 38.77,1350 38.77,1351 23,1352 12.626,1353 3.807,1354 3,1355 45.091,1356 134,1357 132,1358 0.165,1359 219.297,1360 388.71,1361 526.844,1362 27610,1364 20.217,1365 0.697,1366 0.604,1367 20.217,1368 17.525,1369 14.19,1370 0.443,1371 0.335,1372 10.607,1373 13.718,1374 10.296,1375 8.537,1376 14.19,1377 10.736,1378 12.236,1379 0.278,1380 0.19,1381 12.236,1382 8.372,1383 10.701,1384 0.178,1385 0.11,1386 10.701,1387 6.608,1388 9.192,1389 0.115,1390 0.062,1391 9.192,1392 4.975,1393 7.519,1394 0.076,1395 0.038,1396 7.519,1397 3.721,1398 0.266,1399 88.562,1400 0.215,1401 28.052,1402 0.43,1403 152,1404 382.852,1405 161.942,1406 363.673,1407 497.63,1408 344,1409 180,1410 355.84,1411 191.08,1412 364.967,1413 533.2,1414 341,1415 8.097}
{0 CHEMBL1083066,1 1.337,2 12.4,3 4.971,4 24.707,5 101.855,6 6.045,7 0.222,8 4.096,9 4.235,10 3.482,11 3.598,12 4.984,13 3.535,14 4.719,15 4.933,16 3.854,17 4.043,18 5.573,19 3.942,20 5.017,21 5.265,22 3.887,23 4.229,24 5.758,25 4.085,26 5.119,27 5.395,28 3.764,29 4.208,30 5.871,31 4.026,32 5.043,33 5.348,34 3.635,35 4.004,36 5.817,37 3.829,38 4.77,39 5.033,40 3.476,41 3.777,42 5.624,43 3.641,44 4.617,45 4.878,46 3.429,47 3.648,48 5.521,49 3.525,50 4.545,51 4.79,52 3.302,53 3.542,54 5.57,55 3.441,56 0.062,57 0.794,58 14.302,59 5.762,60 8.119,61 8.284,62 0.391,63 1.317,64 26.464,65 9.755,66 32.74,67 14.394,68 0.261,69 1.639,70 34.605,71 12.993,72 26.041,73 19.069,74 0.305,75 1.683,76 37.864,77 13.742,78 38.335,79 20.372,80 0.346,81 1.438,82 35.055,83 11.537,84 42.442,85 17.452,86 0.41,87 1.098,88 27.575,89 8.686,90 36.662,91 12.791,92 0.24,93 0.981,94 23.529,95 7.438,96 28.468,97 11.178,98 0.466,99 0.89,100 22.784,101 6.128,102 45.822,103 9.254,104 26,105 38,106 0.224,107 0.49,108 0.733,109 0.853,110 0.881,111 0.881,112 3.266,113 1.093,114 -4.63,115 -4.55,116 -4.28,121 36.8,122 2,123 7,125 1,126 1,127 2,129 1,144 3,145 2,146 1,161 1,176 13,179 1,180 5,183 2,185 1,187 16,192 5,197 1,200 14,206 8,211 3,214 5,219 8,224 3,227 3,231 1,232 4,237 3,239 2,244 5,249 4,251 4,255 1,256 2,259 1,264 6,269 2,277 9,281 978,282 16.816,283 16.816,284 16.816,285 16.816,286 16.816,287 15.976,288 20.901,289 10.165,290 17.098,291 13.298,292 13.298,293 13.298,294 13.298,295 13.298,296 11.917,297 26.288,298 4.829,299 13.725,300 4.495,301 2.906,302 1.453,303 0.733,304 0.566,305 0.566,306 3.946,311 1,312 1,313 663,314 4.062,317 103.671,318 58.849,320 83.459,321 89.014,324 124.538,325 1.984,326 17.77,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 53,338 310,339 4.778,340 3.895,341 7.93,342 4.673,343 3.682,344 4.16,345 2.186,346 14.919,347 3.65,348 3.983,349 3.662,350 6.125,351 3.638,352 2.686,353 3.31,354 0.8,355 8.534,356 2.563,357 3.661,358 2.819,359 5.608,360 3.342,361 2.395,362 2.87,363 0.366,364 7.194,365 2.245,366 3.313,367 2.551,368 5.406,369 3.156,370 2.196,371 2.516,373 6.963,374 2.098,375 3.269,376 2.394,377 4.792,378 2.965,379 1.994,380 2.328,382 5.403,383 1.927,384 2.843,385 1.9,386 4.51,387 2.807,388 1.809,389 1.842,391 3.789,392 1.8,393 2.571,394 1.574,395 4.145,396 2.383,397 1.393,398 1.593,400 3.611,401 1.376,402 2.43,403 1.461,404 3.827,405 2.262,406 1.287,407 1.42,409 2.987,410 1.252,411 2.267,412 1.158,413 3.398,414 2.111,415 1.118,416 1.255,418 2.662,419 1.11,420 1.846,421 1.036,422 3.284,423 1.78,424 0.804,425 0.822,427 1.479,428 0.781,429 1.594,430 0.859,431 2.967,432 1.44,433 0.462,434 0.501,436 1.102,437 0.45,438 1.177,439 0.526,440 2.821,441 1.108,442 0.143,443 0.146,445 0.262,446 0.137,447 1.134,448 0.303,449 2.55,450 0.851,451 -0.119,452 -0.136,454 -0.276,455 -0.114,456 0.673,457 -0.091,458 2.419,459 0.423,460 -0.544,461 -0.565,463 -1.043,464 -0.522,465 0.607,466 -0.365,467 2.391,468 0.362,469 -0.654,470 -0.762,472 -1.639,473 -0.658,474 11.967,475 0.479,476 0.63,477 0.025,478 23.5,479 0.94,480 8,481 0.32,482 15.5,483 0.62,484 27.574,485 1.103,486 29.433,487 0.516,488 14.929,489 0.597,490 3.779,491 0.151,492 8.263,493 0.331,494 0.153,495 0.042,496 0.242,501 0.794,502 1.474,503 1.005,504 1.307,505 0.612,506 1.193,507 0.636,508 1.049,509 0.958,510 1.022,511 0.385,512 1.014,513 0.901,514 1.114,515 1.024,516 1.101,517 0.669,518 1.078,519 0.918,520 1.134,521 1.038,522 1.134,523 0.851,524 1.104,525 1.15,526 0.931,527 0.868,528 0.893,529 1.198,530 0.855,531 1.931,532 0.908,533 1.115,534 0.893,535 1.673,536 0.923,537 1.563,538 1.178,539 0.998,540 1.06,541 1.755,542 0.985,543 2.779,544 0.723,545 1.393,546 0.744,547 3.613,548 0.896,549 5.5,550 0.094,551 3.333,552 2.396,553 1.161,554 0.583,555 0.497,556 0.281,557 0.225,558 0.115,559 7548,560 13075,561 2.028,562 56.1,563 14,564 11,567 1,569 6,572 1.673,573 1.887,574 3.517,575 -0.396,582 76.236,583 1.337,584 2.927,585 4.38,586 5.1,587 5.267,588 5.267,589 3.068,590 4.484,591 4.604,592 3.716,593 1114.71,594 7.935,595 13997,597 1,600 332.475,601 1.571,602 4.56,603 0.204,604 0.007,605 0.088,606 0.063,607 0.037,608 0.022,609 0.022,610 0.013,611 0.012,612 0.007,613 0.473,614 0.33,615 1,616 2.281,617 123.091,618 0.017,619 -0.139,620 0.062,621 -0.05,622 -0.004,623 0.001,624 0.293,625 0.136,626 0.079,627 0.078,628 0.249,629 0.061,630 -0.041,631 -0.043,632 -0.031,633 -0.042,634 0.006,635 -0.035,636 -0.023,637 -0.143,638 -0.064,639 -0.131,640 0.016,641 -0.106,642 0.006,643 -0.022,644 0.116,645 0.024,647 0.076,648 -0.116,649 0.034,650 -0.044,651 0.04,652 -0.162,653 0.008,654 -0.03,655 -0.204,656 0.051,657 -0.104,658 -0.032,659 -0.031,660 -0.301,661 0.285,662 -0.222,663 0.128,664 -0.394,665 -0.018,666 2.001,667 5.02,668 0.48,669 26.234,670 0.984,671 1.134,672 3.396,673 11.53,674 0.62,675 3.332,676 3.664,677 3.951,678 4.248,679 4.443,680 4.543,681 4.718,682 4.787,683 4.754,684 4.762,685 6.969,686 0.568,687 344.55,688 3.332,689 4.875,690 5.733,691 6.635,692 7.53,693 8.451,694 9.368,695 10.301,696 11.232,697 12.173,698 3.5,701 1,705 1,715 3,720 3,722 6,737 1,741 57,743 7,744 1,745 27,747 59,748 21,749 6,750 3,751 3,756 3,757 6,763 2,764 1,766 1,767 3,770 8,772 7,773 14,777 1,782 1,786 1,793 32,794 4,795 1,796 4,802 2,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 3,868 25,876 9,877 1,878 1,880 1,881 1,882 1,893 3.5,896 1,898 1,901 13.25,902 10.867,903 5.597,904 3.999,907 1.283,908 1.177,909 0.928,910 5.932,911 8.535,912 3.466,913 3.942,914 4.398,915 4.908,916 5.38,917 5.616,918 5.979,919 6.223,920 6.253,921 6.304,922 1,923 38,924 9.338,926 3.897,927 0.026,929 7.49,931 18.702,933 15.855,936 1.99,937 49.75,938 0.001,939 1,940 1,941 364.904,942 94.806,943 21.135,945 36.145,948 94.806,949 401.049,950 21.135,951 26.047,952 39.964,953 28.429,954 25.145,955 25.739,956 6.763,957 364.904,959 364.904,960 115.941,961 36.145,964 294.278,965 106.771,968 60.739,969 55.202,972 364.904,973 57.28,974 94.806,977 364.904,978 40.33,979 57.6,980 18.011,981 36.145,982 364.904,983 57.28,984 94.806,986 0.574,987 0.331,988 0.177,989 0.093,990 18,991 8,992 0.136,993 8,994 2,995 1.333,996 3.769,997 198.758,998 0.333,999 12,1000 116.096,1005 18.567,1006 7.988,1007 3.969,1009 57.28,1010 6.166,1015 3.438,1017 18.011,1018 516.99,1019 31,1024 12.02,1028 -0.335,1031 56.112,1032 64.643,1034 0.229,1035 0.502,1036 0.751,1037 0.874,1038 0.903,1039 0.903,1040 4.741,1041 1.287,1042 5.753,1043 3.611,1044 4.344,1045 4.625,1046 2.351,1047 6.658,1048 4.286,1049 5.914,1050 1.118,1051 7.375,1052 2.987,1053 4.111,1054 4.494,1055 1.847,1056 8.046,1057 4.039,1058 7.232,1059 0.804,1060 9.129,1061 2.662,1062 6.052,1063 6.66,1064 3.504,1065 11.203,1066 5.954,1067 8.594,1068 0.462,1069 10.972,1070 1.479,1071 6.723,1072 7.361,1073 3.598,1074 13.517,1075 6.63,1076 10.002,1077 0.143,1078 12.877,1079 1.102,1080 8.192,1081 9.075,1082 4.907,1083 16.326,1084 8.084,1085 11.441,1086 -0.119,1087 14.827,1088 0.262,1089 9.255,1090 10.145,1091 5.29,1092 18.922,1093 9.157,1094 12.907,1095 -0.544,1096 16.809,1097 -0.276,1098 10.588,1099 11.695,1100 6.387,1101 21.652,1102 10.482,1103 3.682,1104 -0.654,1105 18.815,1106 -1.043,1107 11.804,1108 12.939,1109 6.93,1110 24.325,1111 11.701,1112 2.686,1113 14.919,1114 20.839,1115 -1.639,1116 13.106,1117 14.42,1118 7.902,1119 27.035,1120 12.998,1121 2.395,1122 8.534,1123 22.875,1124 4.16,1125 14.376,1126 15.75,1127 8.539,1128 29.729,1129 14.266,1130 2.196,1131 7.194,1132 24.92,1133 3.31,1134 15.674,1135 17.202,1136 9.436,1137 32.434,1138 15.558,1139 1.994,1140 6.963,1141 26.973,1142 2.87,1143 16.964,1144 18.576,1145 10.13,1146 35.134,1147 16.843,1148 1.809,1149 5.403,1150 29.03,1151 2.516,1152 18.263,1153 20.013,1154 10.981,1155 37.837,1156 18.135,1157 1.393,1158 3.789,1159 31.09,1160 2.328,1161 19.561,1162 21.411,1163 11.71,1164 40.539,1165 19.426,1166 7484,1167 10012,1168 17.682,1169 35.341,1170 39.911,1171 41.072,1172 42.071,1173 39.953,1174 39.936,1175 45.528,1176 6.705,1177 117.812,1178 38.774,1179 5.74,1180 5.895,1181 7.894,1182 5.751,1183 5.682,1184 7.16,1185 3.889,1186 23.348,1187 5.65,1188 12.98,1189 1.478,1190 1.521,1191 1.558,1192 1.48,1193 1.479,1194 1.686,1195 0.248,1196 4.363,1197 1.436,1198 4.097,1199 4.129,1200 4.035,1201 4.026,1202 7.435,1203 4.024,1204 3.785,1205 3.851,1206 3.654,1207 3.648,1208 4.82,1209 3.631,1210 3.704,1211 3.747,1212 3.591,1213 3.565,1214 4.424,1215 3.568,1216 3.568,1217 3.641,1218 3.428,1219 3.383,1220 4.254,1221 3.375,1222 3.356,1223 3.411,1224 3.208,1225 3.114,1226 4.145,1227 3.135,1228 3.241,1229 3.337,1230 3.036,1231 3.039,1232 4.014,1233 3.025,1234 3.165,1235 3.241,1236 2.984,1237 3.004,1238 3.877,1239 2.99,1240 3.023,1241 3.099,1242 2.806,1243 2.787,1244 3.741,1245 2.787,1246 0.177,1247 0.144,1248 0.294,1249 0.173,1250 0.136,1251 4.778,1252 0.154,1253 3.895,1254 0.081,1255 7.93,1256 0.553,1257 4.673,1258 0.135,1259 3.682,1260 4.16,1261 2.186,1262 14.919,1263 3.65,1264 1.911,1265 1.893,1266 2.039,1267 1.997,1268 1.379,1269 2.002,1270 1.782,1271 1.718,1272 2.012,1273 1.948,1274 1.312,1275 1.979,1276 1.663,1277 1.613,1278 1.868,1279 1.825,1280 1.195,1281 1.838,1282 1.566,1283 1.493,1284 1.852,1285 1.794,1286 1.121,1287 1.812,1288 1.533,1289 1.455,1290 1.789,1291 1.743,1292 1.015,1293 1.77,1294 1.275,1295 1.215,1296 1.579,1297 1.56,1298 0.778,1299 1.562,1300 1.129,1301 1.057,1302 1.453,1303 1.36,1304 0.605,1305 1.391,1306 1.014,1307 0.899,1308 1.452,1309 1.291,1310 0.562,1311 1.354,1312 4.007,1314 5.333,1315 3.045,1316 6.855,1317 5.587,1318 8.488,1319 7.825,1320 10.193,1322 6.777,1328 10.055,1329 2.869,1330 5.524,1332 0.578,1333 2.464,1334 0.194,1340 32.374,1341 76.236,1342 166.849,1343 249.681,1344 290.7,1345 300.21,1346 300.21,1347 44.824,1348 7.252,1349 41.57,1350 41.57,1351 16,1352 12.67,1353 3,1354 2.322,1355 42.27,1356 102,1357 136,1358 0.201,1359 199.901,1360 352.9,1361 479.518,1362 13278,1364 17.864,1365 0.715,1366 0.637,1367 17.864,1368 15.937,1369 12.042,1370 0.446,1371 0.364,1372 9.741,1373 11.674,1374 9.409,1375 7.885,1376 12.042,1377 9.837,1378 10.807,1379 0.284,1380 0.208,1381 10.807,1382 7.917,1383 8.964,1384 0.176,1385 0.12,1386 8.964,1387 6.121,1388 7.448,1389 0.108,1390 0.065,1391 7.448,1392 4.512,1393 5.861,1394 0.07,1395 0.037,1396 5.861,1397 3.086,1398 0.325,1399 74.759,1400 0.238,1401 24.808,1402 0.526,1403 130,1404 297.449,1405 140.555,1406 285.448,1407 393.85,1408 268,1409 154,1410 293.712,1411 163.645,1412 297.398,1413 437.79,1414 279,1415 6.943}
{0 CHEMBL1083067,1 1.354,2 11.625,3 4.514,4 20.38,5 97.254,6 6.121,7 0.231,8 4.046,9 4.185,10 3.446,11 3.549,12 4.947,13 3.49,14 4.667,15 4.879,16 3.825,17 3.995,18 5.537,19 3.9,20 4.96,21 5.203,22 3.858,23 4.182,24 5.718,25 4.045,26 5.068,27 5.341,28 3.732,29 4.161,30 5.836,31 3.983,32 4.988,33 5.291,34 3.599,35 3.946,36 5.78,37 3.777,38 4.696,39 4.954,40 3.433,41 3.704,42 5.581,43 3.578,44 4.531,45 4.785,46 3.379,47 3.57,48 5.465,49 3.46,50 4.448,51 4.676,52 3.251,53 3.469,54 5.528,55 3.376,56 0.057,57 0.756,58 13.48,59 5.415,60 7.712,61 7.779,62 0.383,63 1.255,64 25.081,65 9.171,66 32.109,67 13.543,68 0.25,69 1.561,70 32.791,71 12.262,72 25.204,73 17.974,74 0.295,75 1.606,76 36.172,77 13.038,78 37.631,79 19.331,80 0.338,81 1.361,82 33.456,83 10.849,84 42.108,85 16.442,86 0.403,87 1.021,88 25.861,89 7.975,90 36.849,91 11.723,92 0.234,93 0.902,94 21.757,95 6.775,96 27.454,97 10.139,98 0.439,99 0.812,100 20.837,101 5.704,102 47.732,103 8.414,104 25,105 37,106 0.229,107 0.506,108 0.754,109 0.867,110 0.879,111 0.879,112 3.228,113 1.077,114 -4.4,115 -4.33,116 -4.09,121 37,122 2,123 6,125 1,126 1,127 2,129 1,144 3,145 2,146 1,161 1,176 12,179 1,180 5,183 2,185 1,187 15,192 5,197 1,200 13,206 8,211 3,214 4,219 8,224 3,227 2,231 1,232 4,237 3,239 2,244 5,249 3,251 4,255 1,256 2,259 1,264 6,277 9,281 844,282 16.109,283 16.109,284 16.109,285 16.109,286 16.109,287 15.269,288 20.901,289 9.665,290 16.391,291 12.798,292 12.798,293 12.798,294 12.798,295 12.798,296 11.417,297 26.288,298 4.579,299 13.225,300 4.401,301 2.765,302 1.301,303 0.635,304 0.56,305 0.56,306 3.906,311 1,312 1,313 597,314 3.937,317 96.485,318 54.917,320 77.694,321 82.961,324 116.126,325 1.823,326 17.504,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 51,338 279,339 4.778,340 3.895,341 7.93,342 4.673,343 3.682,344 4.16,345 2.186,346 14.919,347 3.65,348 3.983,349 3.662,350 6.125,351 3.638,352 2.686,353 3.31,354 0.8,355 8.534,356 2.563,357 3.661,358 2.819,359 5.608,360 3.341,361 2.395,362 2.87,363 0.366,364 7.194,365 2.245,366 3.313,367 2.551,368 5.406,369 3.156,370 2.196,371 2.516,373 6.963,374 2.098,375 3.269,376 2.394,377 4.792,378 2.963,379 1.991,380 2.328,382 5.403,383 1.922,384 2.797,385 1.875,386 4.51,387 2.755,388 1.757,389 1.795,391 3.787,392 1.748,393 2.571,394 1.463,395 4.145,396 2.273,397 1.301,398 1.593,400 3.489,401 1.261,402 2.289,403 1.46,404 3.773,405 2.212,406 1.224,407 1.279,409 2.987,410 1.204,411 2.259,412 1.158,413 3.301,414 2.111,415 1.117,416 1.241,418 2.309,419 1.109,420 1.617,421 0.894,422 3.24,423 1.519,424 0.556,425 0.575,427 1.182,428 0.532,429 1.553,430 0.758,431 2.889,432 1.419,433 0.434,434 0.466,436 0.865,437 0.425,438 1.14,439 0.495,440 2.759,441 0.89,442 -0.056,443 -0.061,445 -0.13,446 -0.052,447 0.819,448 0.026,449 2.421,450 0.689,451 -0.307,452 -0.33,454 -0.559,455 -0.303,456 0.658,457 -0.176,458 2.413,459 0.374,460 -0.609,461 -0.697,463 -1.624,464 -0.591,465 0.598,466 -0.562,467 2.343,468 0.174,469 -0.822,470 -1,472 -1.879,473 -0.819,474 11.467,475 0.478,476 0.63,477 0.026,478 23,479 0.958,480 8,481 0.333,482 15,483 0.625,484 25.792,485 1.075,486 28.133,487 0.521,488 14.706,489 0.613,490 3.779,491 0.157,492 7.763,493 0.323,494 0.16,495 0.044,496 0.253,501 0.791,502 1.472,503 0.986,504 1.297,505 0.61,506 1.179,507 0.634,508 1.027,509 0.937,510 0.996,511 0.383,512 0.989,513 0.909,514 1.121,515 1.029,516 1.108,517 0.675,518 1.084,519 0.921,520 1.14,521 1.042,522 1.142,523 0.853,524 1.112,525 1.16,526 0.927,527 0.865,528 0.888,529 1.208,530 0.849,531 1.993,532 0.904,533 1.132,534 0.886,535 1.72,536 0.919,537 1.646,538 1.139,539 1.017,540 1.039,541 1.84,542 0.971,543 2.824,544 0.786,545 1.443,546 0.814,547 3.727,548 0.958,549 5.5,550 0.094,551 3.333,552 2.396,553 1.161,554 0.583,555 0.497,556 0.281,557 0.201,558 0.115,559 6531,560 11674,561 2.03,562 55.6,563 12,564 11,567 1,569 6,572 1.664,573 1.882,574 3.429,575 -0.383,582 73.119,583 1.354,584 2.99,585 4.454,586 5.12,587 5.194,588 5.194,589 2.944,590 4.335,591 4.546,592 3.615,593 997.72,594 7.824,595 11939.8,597 1,600 310.764,601 1.601,602 4.498,603 0.212,604 0.007,605 0.09,606 0.065,607 0.039,608 0.022,609 0.023,610 0.013,611 0.011,612 0.008,613 0.49,614 0.33,615 1,616 2.15,617 115.673,618 0.013,619 -0.145,620 0.063,621 -0.053,622 -0.008,623 0.001,624 0.294,625 0.155,626 0.092,627 0.096,628 0.249,629 0.077,630 -0.048,631 -0.047,632 -0.04,633 -0.048,635 -0.042,636 -0.028,637 -0.151,638 -0.071,639 -0.139,640 0.011,641 -0.114,642 0.001,643 -0.023,644 0.121,645 0.027,646 -0.007,647 0.081,648 -0.134,649 0.037,650 -0.054,651 0.043,652 -0.176,653 0.006,654 -0.061,655 -0.162,656 0.04,657 -0.086,658 -0.058,659 -0.021,660 -0.311,661 0.224,662 -0.267,663 0.081,664 -0.37,665 -0.07,666 2.005,667 4.963,668 0.5,669 23.472,670 0.986,671 1.134,672 3.173,673 10.065,674 0.622,675 3.296,676 3.638,677 3.932,678 4.234,679 4.431,680 4.533,681 4.71,682 4.779,683 4.736,684 4.754,685 6.524,686 0.571,687 330.52,688 3.296,689 4.844,690 5.707,691 6.613,692 7.513,693 8.438,694 9.357,695 10.293,696 11.225,697 12.167,698 3.7,701 1,705 1,715 3,720 3,722 6,737 1,741 54,743 7,744 1,745 26,747 56,748 20,749 6,750 3,751 3,756 3,757 6,763 2,764 1,766 1,767 3,770 7,772 7,773 13,777 1,782 1,786 1,790 1,793 30,794 4,795 1,796 4,802 2,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 3,868 24,876 8,877 1,878 1,880 1,881 1,882 1,893 3.7,896 1,898 1,901 12.75,902 10.367,903 5.347,904 3.749,907 1.289,908 1.179,909 0.929,910 5.386,911 8.476,912 3.434,913 3.922,914 4.385,915 4.901,916 5.375,917 5.612,918 5.976,919 6.221,920 6.247,921 6.302,922 0.875,923 37,924 8.958,926 3.753,927 0.026,929 7.51,931 17.886,933 15.188,936 2.01,937 48.25,938 0.001,939 1,940 1,941 341.362,942 92.271,943 21.135,945 36.145,948 92.271,949 377.507,950 21.135,951 26.047,952 37.429,953 28.429,954 25.145,955 25.739,956 6.763,957 341.362,959 341.362,960 113.406,961 36.145,964 270.735,965 106.771,968 58.204,969 55.202,972 341.362,973 57.28,974 92.271,977 341.362,978 37.796,979 57.6,980 18.011,981 36.145,982 341.362,983 57.28,984 92.271,986 0.577,987 0.334,988 0.179,989 0.095,990 18,991 8,992 0.125,993 7,994 2,995 1.333,996 3.644,997 190.492,998 0.333,999 12,1000 110.039,1005 17.597,1006 7.346,1007 3.589,1009 57.28,1010 6.154,1015 3.433,1017 18.011,1018 490.913,1019 30,1024 11.963,1028 -0.338,1031 53.229,1032 61.228,1034 0.235,1035 0.519,1036 0.774,1037 0.89,1038 0.903,1039 0.903,1040 4.714,1041 1.224,1042 5.733,1043 3.489,1044 4.317,1045 4.605,1046 2.351,1047 6.648,1048 4.258,1049 5.895,1050 1.117,1051 7.362,1052 2.987,1053 4.111,1054 4.494,1055 1.847,1056 8.046,1057 4.039,1058 7.218,1059 0.556,1060 9.121,1061 2.309,1062 6.038,1063 6.652,1064 3.504,1065 11.202,1066 5.938,1067 8.585,1068 0.434,1069 10.968,1070 1.182,1071 6.723,1072 7.361,1073 3.598,1074 13.517,1075 6.63,1076 9.995,1077 -0.056,1078 12.875,1079 0.865,1080 8.186,1081 9.073,1082 4.907,1083 16.326,1084 8.078,1085 11.437,1086 -0.307,1087 14.826,1088 -0.13,1089 9.255,1090 10.145,1091 5.29,1092 18.922,1093 9.157,1094 12.904,1095 -0.609,1096 16.809,1097 -0.559,1098 10.586,1099 11.694,1100 6.387,1101 21.652,1102 10.48,1103 3.682,1104 -0.822,1105 18.815,1106 -1.624,1107 11.804,1108 12.939,1109 6.93,1110 24.325,1111 11.701,1112 2.686,1113 14.919,1114 20.839,1115 -1.879,1116 13.105,1117 14.42,1118 7.902,1119 27.035,1120 12.997,1121 2.395,1122 8.534,1123 22.875,1124 4.16,1125 14.376,1126 15.75,1127 8.539,1128 29.729,1129 14.266,1130 2.196,1131 7.194,1132 24.92,1133 3.31,1134 15.674,1135 17.202,1136 9.436,1137 32.434,1138 15.558,1139 1.991,1140 6.963,1141 26.973,1142 2.87,1143 16.964,1144 18.576,1145 10.13,1146 35.134,1147 16.843,1148 1.757,1149 5.403,1150 29.03,1151 2.516,1152 18.263,1153 20.013,1154 10.981,1155 37.837,1156 18.135,1157 1.301,1158 3.787,1159 31.09,1160 2.328,1161 19.561,1162 21.411,1163 11.71,1164 40.539,1165 19.426,1166 6493,1167 8819,1168 16.989,1169 33.58,1170 38.798,1171 39.942,1172 40.825,1173 38.707,1174 38.675,1175 44.267,1176 6.705,1177 115.263,1178 37.515,1179 5.74,1180 5.895,1181 7.883,1182 5.75,1183 5.682,1184 7.16,1185 3.889,1186 23.348,1187 5.65,1188 12.547,1189 1.492,1190 1.536,1191 1.57,1192 1.489,1193 1.487,1194 1.703,1195 0.258,1196 4.433,1197 1.443,1198 4.096,1199 4.129,1200 4.035,1201 4.026,1202 7.435,1203 4.024,1204 3.771,1205 3.836,1206 3.65,1207 3.625,1208 4.82,1209 3.61,1210 3.698,1211 3.744,1212 3.576,1213 3.564,1214 4.424,1215 3.565,1216 3.524,1217 3.596,1218 3.394,1219 3.312,1220 4.251,1221 3.313,1222 3.298,1223 3.358,1224 3.134,1225 3.08,1226 4.128,1227 3.089,1228 3.236,1229 3.323,1230 3.033,1231 3.039,1232 3.982,1233 3.025,1234 3.133,1235 3.211,1236 2.958,1237 2.936,1238 3.875,1239 2.941,1240 2.965,1241 3.081,1242 2.69,1243 2.753,1244 3.632,1245 2.721,1246 0.184,1247 0.15,1248 0.305,1249 0.18,1250 0.142,1251 4.778,1252 0.16,1253 3.895,1254 0.084,1255 7.93,1256 0.574,1257 4.673,1258 0.14,1259 3.682,1260 4.16,1261 2.186,1262 14.919,1263 3.65,1264 1.911,1265 1.893,1266 2.025,1267 1.997,1268 1.353,1269 2.001,1270 1.764,1271 1.698,1272 2.011,1273 1.935,1274 1.312,1275 1.967,1276 1.663,1277 1.613,1278 1.868,1279 1.825,1280 1.195,1281 1.838,1282 1.539,1283 1.464,1284 1.798,1285 1.767,1286 1.035,1287 1.782,1288 1.496,1289 1.418,1290 1.785,1291 1.726,1292 1.014,1293 1.75,1294 1.203,1295 1.158,1296 1.484,1297 1.494,1298 0.641,1299 1.487,1300 1.09,1301 1.006,1302 1.453,1303 1.323,1304 0.604,1305 1.368,1306 1.014,1307 0.899,1308 1.442,1309 1.291,1310 0.562,1311 1.354,1312 3.97,1314 5.303,1315 3.045,1316 6.834,1317 5.587,1318 8.473,1319 7.825,1320 10.184,1322 6.748,1328 8.7,1329 2.851,1330 5.503,1332 0.579,1333 2.462,1334 0.195,1340 30.848,1341 73.119,1342 161.433,1343 240.525,1344 276.499,1345 280.499,1346 280.499,1347 41.613,1348 7.188,1349 41.57,1350 41.57,1351 16,1352 12.664,1353 3,1354 2.322,1355 39.668,1356 92,1357 122,1358 0.212,1359 190.309,1360 335.6,1361 456.113,1362 11949,1364 17.156,1365 0.715,1366 0.635,1367 17.156,1368 15.23,1369 11.542,1370 0.444,1371 0.359,1372 9.241,1373 11.174,1374 8.919,1375 7.468,1376 11.542,1377 9.337,1378 10.453,1379 0.283,1380 0.204,1381 10.453,1382 7.564,1383 8.714,1384 0.174,1385 0.117,1386 8.714,1387 5.871,1388 7.271,1389 0.107,1390 0.064,1391 7.271,1392 4.335,1393 5.736,1394 0.069,1395 0.036,1396 5.736,1397 2.961,1398 0.339,1399 71.759,1400 0.243,1401 23.78,1402 0.564,1403 126,1404 293.449,1405 136.555,1406 281.286,1407 388.09,1408 264,1409 150,1410 289.712,1411 159.645,1412 293.237,1413 432.03,1414 275,1415 8}
{0 CHEMBL1083069,1 1.429,2 13.31,3 4.011,4 16.091,5 116.577,6 6.956,7 0.485,8 4.123,9 4.244,10 3.651,11 3.691,12 5.108,13 3.652,14 4.71,15 4.89,16 4.007,17 4.127,18 5.603,19 4.06,20 5.019,21 5.243,22 4.023,23 4.279,24 5.889,25 4.162,26 5.098,27 5.368,28 3.868,29 4.227,30 5.85,31 4.07,32 4.975,33 5.251,34 3.807,35 4.104,36 5.728,37 3.961,38 4.859,39 5.101,40 3.762,41 4.039,42 5.689,43 3.918,44 4.807,45 5.058,46 3.642,47 3.957,48 5.683,49 3.812,50 4.691,51 4.954,52 3.431,53 3.837,54 5.429,55 3.67,56 0.089,57 0.808,58 12.516,59 5.449,60 8.357,61 7.4,62 0.136,63 1.39,64 23.799,65 9.384,66 13.67,67 13.136,68 0.313,69 1.753,70 34.029,71 12.937,72 39.396,73 18.26,74 0.372,75 1.806,76 38.119,77 13.858,78 37.08,79 20.107,80 0.304,81 1.578,82 33.863,83 12.46,84 33.17,85 17.926,86 0.295,87 1.443,88 29.731,89 10.583,90 30.572,91 14.98,92 0.434,93 1.344,94 28.443,95 10.348,96 44.116,97 14.692,98 0.277,99 1.175,100 25.31,101 9.583,102 27.029,103 13.621,104 2,105 46,106 0.234,107 0.568,108 0.758,109 0.832,110 0.84,111 0.84,112 3.408,113 0.97,114 -4.16,115 -4.1,116 -3.88,121 42.9,123 5,124 1,127 4,144 7,145 3,146 1,148 1,154 1,158 1,168 1,176 13,180 8,185 2,187 15,192 9,195 1,197 2,200 10,206 8,209 1,211 1,214 6,219 9,222 1,227 11,232 2,237 1,239 12,243 3,244 2,249 1,251 12,255 1,256 2,261 1,264 7,269 4,274 2,277 4,281 1351,282 20.118,283 20.118,284 20.118,285 20.118,286 20.118,287 18.082,288 23.286,289 11.96,290 20.277,291 16.352,292 16.352,293 16.352,294 16.352,295 16.352,296 13.203,297 27.888,298 5.782,299 16.595,300 4.378,301 2.335,302 1.177,303 0.728,304 0.679,305 0.679,306 4.125,311 1,312 1,313 871,314 2.739,317 56.918,318 326.067,321 98.941,322 115.776,325 2.114,326 20.513,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 61.5,338 386,339 4.599,340 3.693,341 6.599,342 4.152,343 3.16,344 4.548,345 2.277,346 10.576,347 3.132,348 4.064,349 3.202,350 6.088,351 3.743,352 2.757,353 3.543,354 0.916,355 8.867,356 2.724,357 3.941,358 3.018,359 5.617,360 3.681,361 2.713,362 3.457,363 0.503,364 7.789,365 2.628,366 3.612,367 2.79,368 5.342,369 3.467,370 2.468,371 2.786,372 0.193,373 6.969,374 2.465,375 3.519,376 2.555,377 5.146,378 3.18,379 2.161,380 2.638,381 0.172,382 6.196,383 2.197,384 3.307,385 2.254,386 4.955,387 3.036,388 2.068,389 2.569,391 5.856,392 1.987,393 3.16,394 2.059,395 4.909,396 2.863,397 1.865,398 2.245,400 5.533,401 1.854,402 2.918,403 1.893,404 4.538,405 2.575,406 1.607,407 2.058,409 4.608,410 1.552,411 2.815,412 1.516,413 3.93,414 2.413,415 1.418,416 1.909,418 3.043,419 1.409,420 2.5,421 1.271,422 3.594,423 2.094,424 1.116,425 1.5,427 2.951,428 1.089,429 2.463,430 1.104,431 3.414,432 2,433 1,434 1.452,436 2.275,437 1,438 2,439 1.077,440 3.302,441 1.984,442 1,443 1,445 2.136,446 0.983,447 1.953,448 1,449 3.247,450 1.78,451 0.797,452 0.891,454 1.886,455 0.782,456 1.665,457 0.816,458 3.1,459 1.416,460 0.433,461 0.515,463 1.072,464 0.424,465 1.271,466 0.469,467 2.794,468 1.053,469 0.076,470 0.084,472 0.19,473 0.073,474 13.867,475 0.478,476 0.602,477 0.021,478 34.75,479 1.198,480 16,481 0.552,482 18.75,483 0.647,484 26.67,485 0.92,486 31.133,487 0.556,488 22.719,489 0.783,490 6.485,491 0.224,492 7.757,493 0.267,494 0.024,496 0.317,501 0.643,502 1.209,503 0.823,504 1.061,505 0.504,506 0.977,507 0.861,508 1.167,509 0.951,510 1.07,511 0.592,512 1.018,513 0.958,514 1.13,515 1.07,516 1.112,517 1.025,518 1.106,519 0.847,520 0.991,521 0.998,522 1.009,523 0.66,524 1.017,525 0.839,526 0.9,527 0.852,528 0.902,529 0.679,530 0.884,531 1.26,532 1.015,533 1.097,534 1.016,535 0.967,536 1.031,537 0.923,538 0.947,539 1.08,540 1.043,541 0.753,542 1.075,543 0.913,544 0.983,545 1.04,546 1.027,547 0.899,548 1.055,549 5.5,550 0.115,551 2.667,552 1.292,553 1.591,554 0.549,555 0.514,556 0.345,557 0.165,558 0.147,559 13346,560 29371,561 2.215,562 48.2,563 3,564 15,567 1,568 4,569 4,572 1.712,573 2.148,574 3.685,575 -0.405,577 1,582 80.036,583 1.429,584 3.472,585 4.63,586 5.08,587 5.129,588 5.129,589 3.142,590 4.513,591 4.829,592 3.869,593 1570.74,594 8.369,595 22277.2,597 1,599 1,600 325.212,601 1.091,602 4.82,603 0.167,604 0.005,605 0.058,606 0.029,607 0.044,608 0.016,609 0.016,610 0.012,611 0.007,612 0.007,613 0.361,614 0.5,615 0.88,616 0.335,617 150.59,618 0.128,619 -0.033,620 0.079,621 0.014,622 0.074,623 0.034,624 -0.049,625 -0.05,626 -0.017,627 -0.049,628 0.014,629 -0.028,630 -0.03,631 -0.113,632 -0.107,633 -0.114,634 -0.02,635 -0.12,636 0.01,637 -0.034,638 -0.017,639 -0.038,640 0.017,641 -0.031,642 0.04,643 0.035,644 0.135,645 0.073,646 0.039,647 0.108,648 -0.136,649 -0.023,650 -0.102,651 -0.047,652 -0.106,653 -0.064,654 0.144,655 0.023,656 -0.088,657 -0.071,658 0.11,659 -0.1,660 0.001,661 -0.056,662 -0.061,663 -0.036,664 -0.079,665 -0.058,666 1.433,667 4.754,668 0.862,669 32.205,670 0.992,671 1.123,672 2.927,673 8.567,674 0.662,675 3.526,676 3.85,677 4.127,678 4.407,679 4.673,680 4.736,681 4.905,682 5.075,683 5.147,684 5.187,685 7.762,686 0.622,687 389.54,688 3.526,689 5.069,690 5.922,691 6.797,692 7.665,693 8.546,694 9.422,695 10.307,696 11.188,697 12.076,698 5.4,701 1,703 1,708 1,714 2,715 7,716 1,718 1,720 4,722 16,734 1,741 56,743 17,744 2,745 33,747 60,748 24,749 13,750 5,751 7,756 5,757 8,767 3,768 1,770 5,772 14,773 10,774 1,777 1,782 1,786 1,790 1,793 27,794 5,795 1,796 5,801 1,802 3,808 0.6,809 2,828 1,829 4,832 1,833 1,841 1,855 1,859 3,868 29,876 9,877 1,880 1,881 1,893 3.6,896 1,898 1,901 13.5,902 9.9,903 6.25,904 3.661,907 3.065,908 1.372,909 1.017,910 5.281,911 11.305,912 3.761,913 4.341,914 4.901,915 5.491,916 6.023,917 6.318,918 6.735,919 7.116,920 7.202,921 7.343,922 0.889,923 44,924 10.784,926 4.673,927 0.026,929 7.517,931 21.416,933 18.571,936 2.017,937 58.5,939 1,940 1,941 306.049,942 111.857,943 40.732,945 34.879,948 111.857,949 340.928,950 40.732,952 21.095,953 66.334,954 67.886,955 27.316,956 4.836,957 306.049,959 306.049,960 152.588,961 34.879,964 258.964,965 81.963,968 26.977,969 88.004,970 37.607,972 306.049,973 75.611,974 111.857,977 306.049,978 45.523,979 69.458,980 18.011,981 54.476,982 306.049,983 75.611,984 111.857,986 0.581,987 0.333,988 0.182,989 0.104,990 24,991 9,992 0.083,993 5,994 2,995 1.16,996 4.317,997 255.47,998 0.16,999 25,1000 132.881,1005 18.688,1006 8.195,1007 4.18,1008 1.889,1009 75.611,1010 14.834,1011 4.343,1013 5.582,1015 4.502,1017 18.011,1018 493.516,1019 42,1024 11.754,1028 0.233,1031 55.563,1032 62.896,1034 0.246,1035 0.598,1036 0.797,1037 0.875,1038 0.883,1039 0.883,1040 5.004,1041 1.607,1042 5.889,1043 5.533,1044 4.533,1045 5.027,1046 2.463,1047 6.671,1048 4.505,1049 6.182,1050 1.418,1051 7.421,1052 4.608,1053 4.007,1054 4.783,1055 2.085,1056 7.466,1057 3.977,1058 7.475,1059 1.116,1060 9.048,1061 3.043,1062 6.098,1063 7.195,1064 3.602,1065 10.562,1066 6.044,1067 8.8,1068 1,1069 10.733,1070 2.951,1071 6.399,1072 7.838,1073 3.932,1074 12.209,1075 6.342,1076 10.161,1077 1,1078 12.455,1079 2.275,1080 7.928,1081 9.718,1082 5.07,1083 14.805,1084 7.851,1085 11.546,1086 0.797,1087 14.204,1088 2.136,1089 8.633,1090 10.802,1091 5.672,1092 16.833,1093 8.551,1094 12.953,1095 0.433,1096 15.974,1097 1.886,1098 9.922,1099 12.463,1100 6.645,1101 19.257,1102 9.822,1103 3.16,1104 0.076,1105 17.76,1106 1.072,1107 10.835,1108 13.769,1109 7.364,1110 21.46,1111 10.729,1112 2.757,1113 10.576,1114 19.56,1115 0.19,1116 12.018,1117 15.337,1118 8.259,1119 23.826,1120 11.9,1121 2.713,1122 8.867,1123 21.371,1124 4.548,1125 13.038,1126 16.751,1127 9.031,1128 26.107,1129 12.912,1130 2.468,1131 7.789,1132 23.192,1133 3.543,1134 14.181,1135 18.282,1136 9.889,1137 28.456,1138 14.044,1139 2.161,1140 6.969,1141 25.021,1142 3.457,1143 15.255,1144 19.748,1145 10.688,1146 30.774,1147 15.11,1148 2.068,1149 6.196,1150 26.857,1151 2.786,1152 16.385,1153 21.266,1154 11.528,1155 33.121,1156 16.231,1157 1.865,1158 5.856,1159 28.699,1160 2.638,1161 17.487,1162 22.756,1163 12.339,1164 35.457,1165 17.326,1166 12114,1167 18148,1168 23.057,1169 37.063,1170 49.396,1171 50.37,1172 49.516,1173 49.231,1174 49.279,1175 62.39,1176 8.125,1177 139.893,1178 48.598,1179 5.599,1180 5.693,1181 6.401,1182 5.191,1183 5.16,1184 7.548,1185 3.877,1186 17.427,1187 5.132,1188 7.359,1189 1.497,1190 1.526,1191 1.5,1192 1.492,1193 1.493,1194 1.891,1195 0.246,1196 4.239,1197 1.473,1198 4.127,1199 4.146,1200 4.095,1201 4.023,1202 7.426,1203 4.036,1204 3.949,1205 3.995,1206 3.863,1207 3.865,1208 5.255,1209 3.86,1210 3.823,1211 3.87,1212 3.712,1213 3.721,1214 4.756,1215 3.711,1216 3.703,1217 3.74,1218 3.632,1219 3.523,1220 4.5,1221 3.543,1222 3.409,1223 3.475,1224 3.272,1225 3.244,1226 4.32,1227 3.242,1228 3.175,1229 3.233,1230 3.078,1231 3.027,1232 3.981,1233 3.024,1234 3.111,1235 3.206,1236 2.944,1237 2.941,1238 3.878,1239 2.91,1240 3.075,1241 3.152,1242 2.866,1243 2.882,1244 3.723,1245 2.885,1246 0.139,1247 0.112,1248 0.2,1249 0.126,1250 0.096,1251 4.599,1252 0.138,1253 3.693,1254 0.069,1255 6.599,1256 0.32,1257 4.152,1258 0.095,1259 3.16,1260 4.548,1261 2.277,1262 10.576,1263 3.132,1264 1.989,1265 1.969,1266 2.109,1267 2.088,1268 1.488,1269 2.094,1270 1.932,1271 1.895,1272 2.061,1273 2.059,1274 1.284,1275 2.065,1276 1.837,1277 1.789,1278 2.009,1279 1.952,1280 1.164,1281 1.974,1282 1.572,1283 1.528,1284 1.767,1285 1.747,1286 1.037,1287 1.755,1288 1.427,1289 1.384,1290 1.622,1291 1.659,1292 0.83,1293 1.636,1294 1.213,1295 1.154,1296 1.513,1297 1.452,1298 0.825,1299 1.446,1300 1.153,1301 1.064,1302 1.456,1303 1.376,1304 0.679,1305 1.429,1306 1.061,1307 0.991,1308 1.348,1309 1.297,1310 0.548,1311 1.324,1312 4.205,1314 5.525,1315 2.398,1316 7.04,1317 4.727,1318 8.641,1319 6.823,1320 10.289,1328 8.879,1329 3.177,1332 0.745,1333 2.563,1340 34.815,1341 80.036,1342 194.443,1343 259.296,1344 284.457,1345 287.212,1346 287.212,1347 42.446,1348 8.241,1349 58.37,1350 58.37,1351 29,1352 12.608,1353 4.17,1354 3.322,1355 39.992,1356 137,1357 132,1358 0.141,1359 208.976,1360 358.72,1361 501.661,1362 51404,1364 19.631,1365 0.677,1366 0.576,1367 19.631,1368 16.694,1369 14.242,1370 0.432,1371 0.323,1372 10.569,1373 13.813,1374 10.355,1375 8.511,1376 14.242,1377 10.675,1378 12.875,1379 0.28,1380 0.184,1381 12.875,1382 8.448,1383 11.005,1384 0.18,1385 0.105,1386 11.005,1387 6.38,1388 9.276,1389 0.115,1390 0.057,1391 9.276,1392 4.655,1393 7.91,1394 0.075,1395 0.033,1396 7.91,1397 3.53,1398 0.229,1399 88.46,1400 0.208,1401 28.196,1402 0.365,1403 158,1404 391.094,1405 169.17,1406 379.97,1407 527.54,1408 358,1409 186,1410 397.462,1411 198.53,1412 400.625,1413 582.92,1414 378,1415 9.319}
{0 CHEMBL1083070,1 1.422,2 19.923,3 7.317,4 53.543,5 153.201,6 6.892,7 0.429,8 4.411,9 4.526,10 3.906,11 3.933,12 5.45,13 3.901,14 4.97,15 5.149,16 4.223,17 4.303,18 5.993,19 4.242,20 5.237,21 5.457,22 4.284,23 4.428,24 6.182,25 4.344,26 5.282,27 5.522,28 4.24,29 4.386,30 6.286,31 4.292,32 5.204,33 5.435,34 4.119,35 4.345,36 6.175,37 4.238,38 5.176,39 5.419,40 4.052,41 4.306,42 6.095,43 4.179,44 5.158,45 5.404,46 3.942,47 4.226,48 6.046,49 4.101,50 5.029,51 5.26,52 3.924,53 4.165,54 5.95,55 4.051,56 0.027,57 1.029,58 17.125,59 7.649,60 9.159,61 10.032,62 0.407,63 1.661,64 32.192,65 12.374,66 40.942,67 16.833,68 0.379,69 2.011,70 43.505,71 16.057,72 50.504,73 21.908,74 0.702,75 2.036,76 46.742,77 16.009,78 83.717,79 22.252,80 0.622,81 1.918,82 42.938,83 14.935,84 72.139,85 20.608,86 0.452,87 1.869,88 41.288,89 15.089,90 64.444,91 21.168,92 0.649,93 1.772,94 41.662,95 14.075,96 68.292,97 19.422,98 0.37,99 1.607,100 35.689,101 12.798,102 52.191,103 17.666,104 25,105 55,106 0.219,107 0.504,108 0.719,109 0.861,110 0.904,111 0.904,112 3.692,113 0.989,114 -4.91,115 -4.82,116 -4.52,121 41.6,122 1,123 6,126 1,127 4,144 11,145 3,146 4,159 1,161 1,176 15,179 1,180 13,183 2,185 1,187 15,192 12,197 1,200 9,205 2,206 13,211 3,214 10,218 2,219 6,224 3,227 12,231 1,232 6,237 2,239 11,243 1,244 9,247 1,251 8,256 8,264 8,268 1,269 5,274 1,277 11,281 3461,282 26.698,283 26.698,284 26.698,285 26.698,286 26.698,287 24.315,288 30.132,289 16.561,290 27.202,291 20.781,292 20.781,293 20.781,294 20.781,295 20.781,296 17.059,297 38.277,298 7.951,299 21.574,300 4.845,301 2.985,302 1.586,303 0.663,304 0.383,305 0.383,306 4.39,312 1,313 1666,314 4.796,318 488.443,322 371.85,325 3.215,326 36.745,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 84,338 777,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 2.186,346 11.061,347 3.18,348 4.105,349 3.665,350 6.011,351 3.724,352 2.762,353 3.688,354 0.916,355 8.529,356 2.661,357 4.048,358 2.996,359 5.683,360 3.613,361 2.642,362 3.676,363 0.86,364 8.002,365 2.563,366 3.684,367 2.984,368 5.407,369 3.394,370 2.462,371 2.964,372 0.86,373 6.913,374 2.276,375 3.617,376 2.82,377 5.298,378 3.233,379 2.271,380 2.895,381 0.366,382 6.851,383 2.172,384 3.388,385 2.634,386 5.124,387 3.144,388 2.191,389 2.527,390 0.172,391 6.041,392 2.073,393 3.308,394 2.494,395 4.887,396 2.951,397 2.012,398 2.504,400 5.696,401 1.866,402 3.091,403 2.17,404 4.611,405 2.835,406 1.862,407 2.175,409 4.932,410 1.807,411 2.905,412 1.875,413 4.125,414 2.732,415 1.738,416 2.081,418 3.494,419 1.718,420 2.797,421 1.755,422 3.773,423 2.509,424 1.545,425 1.811,427 3.384,428 1.481,429 2.716,430 1.617,431 3.729,432 2.423,433 1.432,434 1.799,436 3.264,437 1.415,438 2.671,439 1.461,440 3.672,441 2.243,442 1.257,443 1.734,445 3.064,446 1.236,447 2.586,448 1.372,449 3.497,450 2.232,451 1.247,452 1.592,454 2.627,455 1.224,456 2.416,457 1.299,458 3.483,459 2.163,460 1.167,461 1.283,463 2.282,464 1.159,465 2.278,466 1.284,467 3.238,468 1.904,469 0.9,470 1.26,472 2.102,473 0.895,474 18.467,475 0.474,476 0.729,477 0.019,478 46.75,479 1.199,480 22.5,481 0.577,482 24.25,483 0.622,484 37.098,485 0.951,486 43.333,487 0.563,488 37.446,489 0.96,490 8.969,491 0.23,492 10.06,493 0.258,494 0.09,496 0.265,501 0.77,502 1.328,503 0.853,504 1.199,505 0.583,506 1.06,507 0.843,508 1.064,509 0.94,510 1.057,511 0.534,512 1.009,513 1.102,514 1.049,515 0.926,516 1.019,517 0.804,518 0.956,519 1.119,520 0.949,521 0.915,522 0.905,523 1.049,524 0.88,525 1.246,526 0.947,527 1.079,528 0.942,529 1.378,530 0.977,531 0.882,532 1.09,533 0.978,534 1.074,535 0.884,536 1.045,537 1.365,538 0.876,539 1.118,540 0.904,541 1.135,542 0.964,543 1.171,544 1.096,545 1.065,546 1.064,547 1.069,548 1.052,549 6.5,550 0.148,551 2.889,552 2.5,553 1.933,554 0.924,555 0.604,556 0.439,557 0.238,558 0.238,559 31192,560 73837,561 2.067,562 49.4,563 9,564 22,567 1,569 6,572 1.785,573 1.966,574 4.22,575 -0.434,582 109.512,583 1.422,584 3.282,585 4.681,586 5.604,587 5.884,588 5.884,589 3.746,590 5.234,591 5.256,592 4.438,593 3288.34,594 9.214,595 64278.7,600 482.543,601 1.252,602 5.231,603 0.155,604 0.004,605 0.053,606 0.044,607 0.036,608 0.02,609 0.014,610 0.012,611 0.006,612 0.007,613 0.35,614 0.17,615 0.75,616 1.557,617 228.534,618 -0.005,619 -0.13,620 0.057,621 -0.07,622 -0.01,623 -0.008,624 0.116,625 0.051,626 0.025,627 -0.023,628 0.14,629 -0.011,630 -0.048,631 -0.045,632 0.064,633 -0.017,634 0.029,635 0.033,636 0.054,637 0.027,638 0.102,639 0.057,640 0.093,641 0.085,642 -0.087,643 0.055,644 -0.069,645 0.028,646 -0.122,647 -0.012,648 0.037,649 -0.108,650 0.001,651 -0.087,652 0.011,653 -0.054,654 -0.13,655 0.09,656 -0.092,657 0.046,658 -0.139,659 -0.01,660 -0.102,661 -0.108,662 -0.069,663 -0.08,664 -0.061,665 -0.072,666 2.07,667 5.696,668 0.513,669 60.774,670 0.997,671 1.124,672 3.679,673 13.538,674 0.649,675 3.761,676 4.025,677 4.248,678 4.5,679 4.718,680 4.796,681 4.89,682 5.017,683 5.05,684 4.997,685 11.239,686 0.612,687 530.72,688 3.761,689 5.273,690 6.094,691 6.946,692 7.788,693 8.653,694 9.508,695 10.382,696 11.245,697 12.126,698 2.6,701 1,705 1,715 11,720 7,722 18,727 1,737 1,739 2,741 77,743 20,744 3,745 42,747 80,748 32,749 18,750 7,751 11,752 1,756 4,757 7,763 1,770 6,772 20,773 12,777 2,782 2,786 2,793 38,794 7,795 1,796 7,802 2,808 0.5,809 5,829 4,833 2,855 1,859 2,864 2,868 39,876 10,877 1,878 3,881 1,893 6.5,896 2,898 3,901 19.833,902 14.2,903 8.861,904 5.087,907 3.536,908 1.423,909 0.956,910 10.958,911 11.904,912 3.989,913 4.494,914 4.999,915 5.543,916 6.058,917 6.271,918 6.598,919 6.954,920 7.218,921 7.392,922 1,923 57,924 14.497,926 6.007,927 0.026,929 7.679,931 28.028,933 22.507,936 2.179,937 85,941 435.531,942 190.003,943 21.135,945 83.29,948 190.003,949 518.82,950 21.135,951 17.222,952 44.127,953 104.239,954 55.423,955 66.654,956 6.763,957 435.531,959 435.531,960 211.138,961 83.29,964 364.904,965 153.916,968 56.077,969 155.062,972 435.531,973 104.425,974 190.003,977 435.531,978 68.543,979 124.585,980 18.011,981 83.29,982 435.531,983 104.425,984 190.003,986 0.56,987 0.314,988 0.171,989 0.093,990 22,991 10,992 0.188,993 15,994 2,995 1.2,996 5.209,997 344.365,998 0.2,999 20,1000 204.131,1005 28.817,1006 14.83,1007 8.657,1009 104.425,1010 20.322,1015 4.587,1017 18.011,1018 729.959,1019 53,1024 24.737,1028 -0.432,1031 76.745,1032 86.517,1034 0.227,1035 0.524,1036 0.747,1037 0.894,1038 0.939,1039 0.939,1040 5.201,1041 1.862,1042 6.038,1043 5.696,1044 4.71,1045 5.182,1046 2.639,1047 6.786,1048 4.639,1049 6.357,1050 1.738,1051 7.549,1052 4.932,1053 4.111,1054 4.832,1055 1.847,1056 7.551,1057 4.007,1058 7.629,1059 1.545,1060 9.164,1061 3.494,1062 6.229,1063 7.261,1064 3.582,1065 10.678,1066 6.094,1067 8.935,1068 1.432,1069 10.843,1070 3.384,1071 6.479,1072 7.753,1073 3.603,1074 12.336,1075 6.327,1076 10.278,1077 1.257,1078 12.567,1079 3.264,1080 8.025,1081 9.652,1082 4.922,1083 14.979,1084 7.849,1085 11.647,1086 1.247,1087 14.323,1088 3.064,1089 8.712,1090 10.561,1091 5.291,1092 17.037,1093 8.534,1094 13.037,1095 1.167,1096 16.104,1097 2.627,1098 10.011,1099 12.22,1100 6.39,1101 19.518,1102 9.815,1103 3.215,1104 0.9,1105 17.905,1106 2.282,1107 10.928,1108 13.351,1109 6.93,1110 21.761,1111 10.736,1112 2.762,1113 11.061,1114 19.722,1115 2.102,1116 12.123,1117 14.89,1118 7.902,1119 24.186,1120 11.919,1121 2.642,1122 8.529,1123 21.553,1124 4.198,1125 13.158,1126 16.144,1127 8.539,1128 26.514,1129 12.956,1130 2.462,1131 8.002,1132 23.395,1133 3.688,1134 14.315,1135 17.622,1136 9.436,1137 28.922,1138 14.106,1139 2.271,1140 6.913,1141 25.247,1142 3.676,1143 15.409,1144 18.946,1145 10.13,1146 31.289,1147 15.2,1148 2.191,1149 6.851,1150 27.108,1151 2.964,1152 16.556,1153 20.393,1154 10.981,1155 33.692,1156 16.342,1157 2.012,1158 6.041,1159 28.977,1160 2.895,1161 17.681,1162 21.757,1163 11.71,1164 36.077,1165 17.464,1166 29771,1167 46154,1168 28.315,1169 49.989,1170 60.574,1171 62.885,1172 62.155,1173 60.067,1174 59.98,1175 75.135,1176 10.723,1177 161.741,1178 57.913,1179 5.499,1180 5.692,1181 6.727,1182 5.301,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.18,1188 18.102,1189 1.442,1190 1.497,1191 1.48,1192 1.43,1193 1.428,1194 1.789,1195 0.255,1196 3.851,1197 1.379,1198 4.05,1199 4.059,1200 4.015,1201 3.966,1202 7.435,1203 3.975,1204 3.942,1205 3.97,1206 3.879,1207 3.857,1208 7.427,1209 3.858,1210 3.784,1211 3.827,1212 3.716,1213 3.712,1214 4.947,1215 3.709,1216 3.759,1217 3.812,1218 3.606,1219 3.622,1220 4.813,1221 3.605,1222 3.693,1223 3.75,1224 3.557,1225 3.543,1226 4.708,1227 3.535,1228 3.536,1229 3.603,1230 3.41,1231 3.315,1232 4.382,1233 3.319,1234 3.435,1235 3.509,1236 3.292,1237 3.226,1238 4.31,1239 3.23,1240 3.274,1241 3.322,1242 3.145,1243 3.062,1244 4.24,1245 3.079,1246 0.108,1247 0.088,1248 0.161,1249 0.1,1250 0.077,1251 4.553,1252 0.1,1253 3.692,1254 0.052,1255 6.774,1256 0.263,1257 4.203,1258 0.076,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.059,1267 2.084,1268 1.353,1269 2.074,1270 1.911,1271 1.885,1272 2.036,1273 2.026,1274 1.304,1275 2.03,1276 1.777,1277 1.753,1278 2.023,1279 1.941,1280 1.167,1281 1.97,1282 1.764,1283 1.698,1284 1.943,1285 1.902,1286 1.146,1287 1.916,1288 1.686,1289 1.624,1290 1.873,1291 1.835,1292 1.035,1293 1.849,1294 1.5,1295 1.425,1296 1.795,1297 1.744,1298 0.978,1299 1.759,1300 1.407,1301 1.332,1302 1.691,1303 1.649,1304 0.861,1305 1.668,1306 1.182,1307 1.141,1308 1.476,1309 1.485,1310 0.64,1311 1.479,1312 4.443,1314 5.72,1316 7.191,1318 8.764,1320 10.401,1322 4.242,1328 9.189,1329 2.818,1330 17.299,1333 2.239,1340 47.099,1341 109.512,1342 252.714,1343 360.45,1344 431.523,1345 453.033,1346 453.033,1347 85.7,1348 8.368,1349 81.01,1350 81.01,1351 24,1352 12.666,1353 4.392,1354 3.585,1355 71.243,1356 269,1357 296,1358 0.124,1359 289.52,1360 516.93,1361 698.189,1362 70394,1364 27.451,1365 0.704,1366 0.587,1367 27.451,1368 22.91,1369 19.029,1370 0.453,1371 0.33,1372 13.675,1373 18.339,1374 13.342,1375 11.169,1376 19.029,1377 13.848,1378 16.328,1379 0.297,1380 0.18,1381 16.328,1382 9.903,1383 13.046,1384 0.189,1385 0.096,1386 13.046,1387 6.613,1388 10.941,1389 0.123,1390 0.051,1391 10.941,1392 4.528,1393 8.599,1394 0.077,1395 0.027,1396 8.599,1397 2.986,1398 0.209,1399 119.022,1400 0.188,1401 36.851,1402 0.305,1403 194,1404 570.656,1405 214.077,1406 539.034,1407 733.19,1408 506,1409 221,1410 535.723,1411 240.445,1412 537.036,1413 784.97,1414 505,1415 7}
{0 CHEMBL1083367,1 1.308,2 13.889,3 4.779,4 22.84,5 113.917,6 6.765,7 0.6,8 4.045,9 4.181,10 3.548,11 3.625,12 5.04,13 3.574,14 4.589,15 4.78,16 3.842,17 4.017,18 5.485,19 3.932,20 4.894,21 5.142,22 3.848,23 4.149,24 5.685,25 4.013,26 4.95,27 5.243,28 3.68,29 4.065,30 5.672,31 3.898,32 4.835,33 5.13,34 3.639,35 3.975,36 5.578,37 3.824,38 4.698,39 4.96,40 3.556,41 3.915,42 5.478,43 3.764,44 4.67,45 4.956,46 3.391,47 3.802,48 5.413,49 3.632,50 4.494,51 4.783,52 3.233,53 3.636,54 5.204,55 3.463,56 0.082,57 0.783,58 11.925,59 4.925,60 10.366,61 6.992,62 0.168,63 1.284,64 21.446,65 8.118,66 18.029,67 11.832,68 0.227,69 1.619,70 30.047,71 11.192,72 25.472,73 16.541,74 0.263,75 1.63,76 32.711,77 11.337,78 29.257,79 17.17,80 0.271,81 1.459,82 29.225,83 10.1,84 28.416,85 15.252,86 0.18,87 1.303,88 24.858,89 9.093,90 22.276,91 13.533,92 0.229,93 1.238,94 24.618,95 8.599,96 24.756,97 12.935,98 0.175,99 1.023,100 20.545,101 7.54,102 19.132,103 11.223,105 39,106 0.217,107 0.503,108 0.663,109 0.783,110 0.82,111 0.826,112 3.339,113 0.976,114 -5.74,115 -5.6,116 -5.22,121 43.4,123 2,124 1,127 4,144 12,145 2,148 1,149 1,168 1,176 15,180 6,183 1,185 2,187 14,192 8,195 1,197 3,200 9,206 7,214 7,219 7,222 1,224 1,227 11,232 3,237 2,239 9,243 1,244 1,249 3,251 5,255 1,256 1,261 3,264 5,269 1,274 2,277 7,281 1164,282 18.93,283 18.93,284 18.93,285 18.93,286 18.93,287 16.767,288 18.133,289 11.654,290 19.171,291 14.87,292 14.87,293 14.87,294 14.87,295 14.87,296 11.809,297 25.729,298 5.625,299 15.254,300 4.42,301 2.696,302 1.737,303 1.01,304 0.792,305 0.755,306 4.046,311 1,312 1,313 828,314 2.449,318 402.191,325 2.337,326 10.378,328 1,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 56,338 375,339 4.244,340 3.02,341 6.143,342 3.852,343 2.871,344 3.889,345 0.916,346 9.055,347 2.817,348 3.941,349 2.888,350 5.619,351 3.691,352 2.728,353 3.457,354 0.4,355 7.793,356 2.632,357 3.81,358 2.644,359 5.397,360 3.496,361 2.516,362 3.303,363 0.172,364 7.129,365 2.474,366 3.589,367 2.492,368 5.254,369 3.341,370 2.375,371 2.653,373 6.722,374 2.283,375 3.276,376 2.202,377 4.946,378 3.013,379 2.059,380 2.566,382 5.843,383 1.954,384 3.146,385 1.834,386 4.444,387 2.787,388 1.808,389 2.226,391 4.506,392 1.767,393 2.822,394 1.519,395 3.595,396 2.416,397 1.421,398 1.922,400 3.043,401 1.413,402 2.644,403 1.23,404 3.513,405 2.173,406 1.187,407 1.709,409 2.73,410 1.168,411 2.5,412 1.077,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.5,421 1,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1,431 3.247,432 1.984,433 1,434 1.5,436 2.136,437 0.983,438 2,439 1,440 3.247,441 1.983,442 1,443 1,445 2.136,446 0.982,447 1.849,448 0.9,449 3.228,450 1.676,451 0.729,452 0.797,454 1.731,455 0.688,456 1.269,457 0.328,458 2.806,459 1.08,460 0.113,461 0.125,463 0.283,464 0.109,465 1.015,466 -0.144,467 2.461,468 0.708,469 -0.273,470 -0.33,472 -0.656,473 -0.268,474 13.1,475 0.485,476 0.393,477 0.015,478 35.25,479 1.306,480 18.5,481 0.685,482 16.75,483 0.62,484 20.893,485 0.774,486 28.3,487 0.534,488 22.513,489 0.834,490 6.885,491 0.255,492 6.48,493 0.24,496 0.221,501 0.821,502 1.204,503 0.878,504 1.053,505 0.732,506 0.985,507 1.189,508 1.165,509 1.065,510 1.083,511 0.824,512 1.067,513 1.038,514 1.147,515 1.059,516 1.107,517 0.829,518 1.089,519 1.24,520 1.003,521 1.01,522 0.95,523 1.02,524 0.959,525 1.219,526 0.821,527 0.919,528 0.796,529 1.1,530 0.826,531 1.164,532 1.103,533 1.092,534 1.08,535 1.28,536 1.08,537 1.258,538 0.952,539 1.09,540 0.98,541 1.355,542 1.014,543 0.952,544 0.941,545 0.982,546 0.969,547 1.004,548 0.977,549 4,550 0.058,551 2,552 0.625,553 0.827,554 0.5,555 0.318,556 0.238,557 0.151,558 0.091,559 11438,560 23711,561 2.189,562 49.1,564 20,567 1,569 5,572 1.69,573 2.16,574 3.748,575 -0.419,582 69.326,583 1.308,584 3.032,585 3.991,586 4.718,587 4.935,588 4.973,589 3.217,590 3.986,591 4.725,592 3.924,593 1377.16,594 8.146,595 19256.1,597 1,600 303.58,601 0.764,602 4.731,603 0.133,604 0.003,605 0.051,606 0.017,607 0.028,608 0.017,609 0.012,610 0.011,611 0.008,612 0.005,613 0.284,614 0.33,615 0.88,617 138.912,618 0.177,619 -0.037,620 0.071,621 -0.009,622 0.185,623 0.017,624 -0.036,625 -0.052,626 -0.092,627 -0.087,628 0.063,629 -0.093,630 0.011,631 -0.136,632 -0.078,633 -0.129,634 0.092,635 -0.114,636 -0.078,637 -0.039,638 -0.007,639 -0.005,640 0.003,641 -0.001,642 -0.02,643 0.15,644 0.089,645 0.146,646 -0.016,647 0.13,648 -0.103,649 -0.108,650 -0.108,651 -0.109,652 -0.192,653 -0.109,654 -0.072,655 0.026,656 -0.088,657 -0.036,658 -0.217,659 -0.059,660 0.058,661 0.006,662 0.009,663 -0.005,664 -0.049,665 -0.003,666 0.804,667 1.351,668 0.889,669 32.346,670 0.984,671 1.124,672 4.508,673 20.32,674 0.668,675 3.434,676 3.689,677 3.912,678 4.111,679 4.344,680 4.263,681 4.369,682 4.466,683 4.533,684 4.575,685 8.026,686 0.62,687 358.53,688 3.434,689 4.934,690 5.753,691 6.586,692 7.415,693 8.252,694 9.085,695 9.923,696 10.758,697 11.597,698 7.5,701 1,703 1,708 2,715 12,716 2,720 4,722 18,734 1,741 53,743 18,744 2,745 30,747 56,748 23,749 16,750 2,751 10,756 4,757 4,767 2,768 1,770 2,772 16,773 7,774 1,793 26,794 4,795 1,796 4,802 4,808 1,821 1,829 4,855 1,859 4,868 27,876 6,877 1,880 1,881 1,901 12.5,902 9.183,903 6.028,904 3.315,907 2.962,908 1.398,909 0.998,910 5.882,911 10.403,912 3.689,913 4.197,914 4.698,915 5.194,916 5.713,917 5.686,918 6.04,919 6.314,920 6.555,921 6.757,922 1,923 37,924 9.974,926 4.13,927 0.026,929 7.407,931 19.843,933 16.44,936 1.907,937 51.5,939 1,940 1,941 294.278,942 138.663,943 54.461,948 138.663,949 294.278,950 54.461,952 13.492,953 113.715,954 51.337,955 12.252,956 2.328,957 294.278,959 294.278,960 193.124,964 235.422,965 58.856,968 19.373,969 122.414,970 51.337,972 294.278,973 54.461,974 138.663,977 294.278,978 24.948,979 116.839,980 18.011,981 33.326,982 294.278,983 54.461,984 138.663,986 0.563,987 0.319,988 0.17,989 0.096,990 18,991 6,992 0.107,993 6,995 1,996 4.241,997 214.614,999 24,1000 116.382,1005 17.848,1006 8.899,1007 5.003,1009 54.461,1010 24.978,1011 8.69,1015 4.28,1017 18.011,1018 487.401,1019 39,1031 52.127,1032 59.56,1034 0.228,1035 0.529,1036 0.697,1037 0.824,1038 0.862,1039 0.868,1040 4.879,1041 1.187,1042 5.673,1043 3.043,1044 4.369,1045 4.883,1046 1.038,1047 6.368,1048 4.319,1049 6.016,1050 1,1051 7.149,1052 2.73,1053 3.611,1054 4.205,1055 0.325,1056 6.986,1057 3.516,1058 7.259,1059 1,1060 8.719,1061 2.275,1062 5.849,1063 6.913,1064 0.697,1065 10.037,1066 5.745,1067 8.531,1068 1,1069 10.347,1070 2.275,1071 5.943,1072 7.072,1073 0.393,1074 11.512,1075 5.795,1076 9.835,1077 1,1078 12.013,1079 2.136,1080 7.57,1081 9.21,1082 0.537,1083 14.01,1084 7.414,1085 11.161,1086 0.729,1087 13.706,1088 2.136,1089 8.086,1090 9.808,1091 0.384,1092 15.853,1093 7.894,1094 12.505,1095 0.113,1096 15.417,1097 1.731,1098 9.418,1099 11.644,1100 0.438,1101 18.147,1102 9.214,1103 2.871,1104 -0.273,1105 17.143,1106 0.283,1107 10.164,1108 12.506,1109 0.351,1110 20.166,1111 9.929,1112 2.728,1113 9.055,1114 18.879,1115 -0.656,1116 11.344,1117 14.16,1118 0.366,1119 22.383,1120 11.095,1121 2.516,1122 7.793,1123 20.624,1124 3.889,1125 12.219,1126 15.191,1127 0.312,1128 24.487,1129 11.942,1130 2.375,1131 7.129,1132 22.376,1133 3.457,1134 13.322,1135 16.73,1136 0.309,1137 26.679,1138 13.029,1139 2.059,1140 6.722,1141 24.134,1142 3.303,1143 14.268,1144 17.873,1145 0.273,1146 28.826,1147 13.95,1148 1.808,1149 5.843,1150 25.898,1151 2.653,1152 15.333,1153 19.338,1154 0.262,1155 31.012,1156 14.997,1157 1.421,1158 4.506,1159 27.667,1160 2.566,1161 16.318,1162 20.554,1163 0.236,1164 33.182,1165 15.959,1166 10559,1167 15331,1168 21.148,1169 35.398,1170 43.841,1171 43.766,1172 43.732,1173 43.635,1174 43.616,1175 56.292,1176 2.978,1177 115.312,1178 42.539,1179 5.244,1180 5.02,1181 5.945,1182 4.895,1183 4.871,1184 6.889,1185 1.605,1186 15.119,1187 4.817,1189 1.461,1190 1.459,1191 1.458,1192 1.454,1193 1.454,1194 1.876,1195 0.099,1196 3.844,1197 1.418,1198 3.998,1199 4.044,1200 3.936,1201 3.908,1202 5.054,1203 3.908,1204 3.932,1205 3.971,1206 3.856,1207 3.857,1208 4.756,1209 3.852,1210 3.823,1211 3.871,1212 3.718,1213 3.713,1214 4.702,1215 3.707,1216 3.705,1217 3.757,1218 3.628,1219 3.573,1220 4.337,1221 3.581,1222 3.353,1223 3.435,1224 3.217,1225 3.159,1226 4.075,1227 3.162,1228 3.111,1229 3.206,1230 2.951,1231 2.941,1232 3.884,1233 2.926,1234 3.087,1235 3.167,1236 2.866,1237 2.929,1238 3.764,1239 2.91,1240 2.879,1241 2.94,1242 2.739,1243 2.765,1244 3.674,1245 2.751,1246 0.141,1247 0.101,1248 0.205,1249 0.128,1250 0.096,1251 4.244,1252 0.13,1253 3.02,1254 0.031,1255 6.143,1256 0.302,1257 3.852,1258 0.094,1259 2.871,1260 3.889,1261 0.916,1262 9.055,1263 2.817,1264 1.944,1265 1.914,1266 2.093,1267 2.075,1268 1.46,1269 2.083,1270 1.929,1271 1.894,1272 2.043,1273 2.033,1274 1.15,1275 2.036,1276 1.828,1277 1.777,1278 2.005,1279 1.949,1280 1.114,1281 1.97,1282 1.669,1283 1.623,1284 1.798,1285 1.832,1286 0.883,1287 1.828,1288 1.326,1289 1.249,1290 1.577,1291 1.555,1292 0.825,1293 1.568,1294 1.153,1295 1.064,1296 1.513,1297 1.376,1298 0.769,1299 1.429,1300 1.084,1301 1.011,1302 1.378,1303 1.304,1304 0.583,1305 1.333,1306 0.894,1307 0.839,1308 1.181,1309 1.062,1310 0.288,1311 1.107,1312 4.111,1314 5.38,1316 6.849,1318 8.397,1320 9.98,1328 6.83,1329 3.465,1332 0.702,1333 2.556,1340 32.88,1341 69.326,1342 160.68,1343 211.541,1344 250.07,1345 261.58,1346 263.58,1347 32.769,1348 7.441,1349 41.05,1350 41.05,1351 24,1352 12.163,1353 4.248,1354 3.322,1355 40.703,1356 132,1357 113,1358 0.147,1359 202.651,1360 344.56,1361 486.229,1362 19661,1364 18.313,1365 0.678,1366 0.577,1367 18.313,1368 15.59,1369 13.365,1370 0.446,1371 0.325,1372 9.68,1373 13.064,1374 9.469,1375 7.876,1376 13.365,1377 9.76,1378 11.383,1379 0.292,1380 0.186,1381 11.383,1382 7.256,1383 9.549,1384 0.195,1385 0.107,1386 9.549,1387 5.262,1388 7.675,1389 0.128,1390 0.06,1391 7.675,1392 3.629,1393 6.443,1394 0.085,1395 0.035,1396 6.443,1397 2.684,1398 0.244,1399 82.167,1400 0.217,1401 26.997,1402 0.372,1403 138,1404 309.268,1405 145.299,1406 312.592,1407 439.9,1408 296,1409 157,1410 332.265,1411 165.437,1412 341.259,1413 489.94,1414 322,1415 4.252}
{0 CHEMBL1083373,1 1.629,2 10,3 2.19,4 4.797,5 92.028,6 7.714,7 0.593,8 3.894,9 4.014,10 3.485,11 3.368,12 5.071,13 3.378,14 4.391,15 4.565,16 3.852,17 3.727,18 5.609,19 3.721,20 4.567,21 4.74,22 3.875,23 3.859,24 5.71,25 3.841,26 4.641,27 4.827,28 3.873,29 3.908,30 5.768,31 3.865,32 4.673,33 4.878,34 3.826,35 3.921,36 5.778,37 3.856,38 4.683,39 4.899,40 3.747,41 3.874,42 5.775,43 3.788,44 4.625,45 4.877,46 3.525,47 3.724,48 5.627,49 3.613,50 4.415,51 4.643,52 3.43,53 3.49,54 5.573,55 3.414,56 0.069,57 0.667,58 8.505,59 3.531,60 6.675,61 4.603,62 0.446,63 1.013,64 16.283,65 5.656,66 31.19,67 7.764,68 0.373,69 1.154,70 19.904,71 6.745,72 40.594,73 8.796,74 0.425,75 1.23,76 21.642,77 7.535,78 36.512,79 10.042,80 0.385,81 1.24,82 22.826,83 8.104,84 37.038,85 11.092,86 0.402,87 1.196,88 23.669,89 8.57,90 40.559,91 11.838,92 0.433,93 1.071,94 23.962,95 8.051,96 41.54,97 11.427,98 0.398,99 0.851,100 19.07,101 6.314,102 42.189,103 8.688,104 35,105 38,106 0.281,107 0.634,108 0.776,109 0.876,110 0.884,111 0.884,112 3.267,113 0.875,114 -2.98,115 -2.98,116 -2.87,121 40.9,122 1,126 2,144 7,145 1,146 1,148 1,153 1,155 1,160 1,161 1,163 1,176 6,179 1,180 5,182 1,183 4,185 2,187 5,189 2,192 4,197 1,200 2,203 3,205 1,206 7,211 3,213 1,214 2,216 2,219 4,221 1,224 3,227 5,229 1,231 1,232 3,234 1,237 3,239 6,241 1,244 2,246 1,249 1,250 1,251 4,255 1,256 4,259 2,261 1,264 4,269 2,274 1,277 1,281 914,282 16.662,283 16.662,284 16.662,285 16.662,286 16.662,287 14.438,288 16.754,289 9.777,290 17.067,291 13.271,292 13.271,293 13.271,294 13.271,295 13.271,296 9.823,297 18.342,298 4.58,299 13.894,300 3.83,301 1.777,302 0.953,303 0.37,304 0.324,305 0.324,306 3.945,310 1,311 1,312 1,313 522,314 3.536,317 49.669,318 144.648,321 98.75,325 1.52,326 21.65,328 1,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 55,338 250,339 4.71,340 3.66,341 6.887,342 4.217,343 3.281,344 4.674,345 2.186,346 11.492,347 3.076,348 4.167,349 3.546,350 6.218,351 3.751,352 2.791,353 3.787,354 1.907,355 9.203,356 2.674,357 3.862,358 3.289,359 5.64,360 3.477,361 2.541,362 3.285,363 0.366,364 7.569,365 2.371,366 3.639,367 2.807,368 5.399,369 3.262,370 2.293,371 2.909,372 0.149,373 6.838,374 2.201,375 3.438,376 2.538,377 4.836,378 3.018,379 2.028,380 2.656,382 5.331,383 1.985,384 3.297,385 2.164,386 4.702,387 2.854,388 1.876,389 2.534,391 4.965,392 1.82,393 2.998,394 1.567,395 4.415,396 2.493,397 1.515,398 2.228,400 3.989,401 1.477,402 2.781,403 1.459,404 4.17,405 2.293,406 1.331,407 1.899,409 3.617,410 1.277,411 2.595,412 1.253,413 3.59,414 2.125,415 1.149,416 1.635,418 2.621,419 1.117,420 2.328,421 1.101,422 3.468,423 1.862,424 0.89,425 1.252,427 2.255,428 0.863,429 1.507,430 0.969,431 2.847,432 1.299,433 0.383,434 0.409,436 0.558,437 0.346,438 1.332,439 0.629,440 2.731,441 0.976,442 0.01,443 0.012,445 0.024,446 0.009,447 1.176,448 0.577,449 2.522,450 0.726,451 -0.252,452 -0.33,454 -0.568,455 -0.241,456 0.895,457 0.128,458 2.372,459 0.515,460 -0.449,461 -0.564,463 -1.141,464 -0.43,465 0.665,466 -0.29,467 2.134,468 0.205,469 -0.771,470 -1.048,472 -2,473 -0.747,474 11.6,475 0.464,476 0.682,477 0.027,478 34,479 1.36,480 17,481 0.68,482 17,483 0.68,484 17.72,485 0.709,486 27.1,487 0.616,488 26.604,489 1.064,490 7.137,491 0.285,492 4.854,493 0.194,494 0.187,496 0.371,501 0.812,502 1.527,503 0.753,504 1.168,505 0.586,506 0.974,507 0.597,508 0.954,509 0.718,510 0.839,511 0.444,512 0.797,513 1.305,514 1.112,515 1.044,516 0.946,517 1.082,518 0.936,519 1.087,520 1.095,521 1.078,522 1.04,523 0.862,524 1.052,525 0.913,526 1.05,527 1.03,528 1.061,529 0.874,530 1.061,531 0.807,532 1.101,533 1.011,534 1.166,535 0.877,536 1.141,537 0.828,538 0.903,539 0.978,540 1.007,541 0.735,542 1.024,543 1.003,544 1.022,545 0.995,546 1.111,547 1.2,548 1.074,549 5.5,550 0.098,551 2.667,552 2.201,553 1.566,554 0.889,555 0.719,556 0.334,557 0.235,558 0.184,559 6418,560 19469,561 2.015,562 43.2,564 13,565 1,567 2,568 3,572 1.683,573 1.852,574 3.303,575 0.312,576 1,577 1,579 1,582 71.691,583 1.629,584 3.683,585 4.507,586 5.09,587 5.135,588 5.135,589 2.759,590 4.294,591 4.61,592 3.432,593 1029.6,594 7.993,595 12245.4,597 1,599 1,600 240.215,601 1.516,602 4.555,603 0.204,604 0.008,605 0.07,606 0.056,607 0.041,608 0.025,609 0.022,610 0.013,611 0.011,612 0.012,613 0.462,614 0.33,615 1,616 1.419,617 119.644,618 -0.074,619 -0.311,620 0.049,621 -0.131,622 -0.079,623 -0.034,624 0.302,625 0.185,626 0.183,627 0.134,628 0.187,629 0.134,630 -0.254,631 -0.032,632 -0.122,633 0.038,634 -0.155,635 -0.004,636 -0.131,637 -0.03,638 -0.157,639 -0.053,640 -0.072,641 -0.103,642 -0.081,643 -0.019,644 -0.105,645 -0.061,646 -0.046,647 -0.079,648 0.028,649 -0.128,650 -0.065,651 -0.155,652 -0.037,653 -0.135,654 0.015,655 0.012,656 0.018,657 -0.019,658 0.01,659 -0.004,660 0.064,661 -0.106,662 0.015,663 -0.134,664 -0.029,665 -0.087,666 2.184,667 4.409,668 0.6,669 21.587,670 1.012,671 1.13,672 1.747,673 3.051,674 0.661,675 3.332,676 3.664,677 3.932,678 4.234,679 4.466,680 4.585,681 4.736,682 4.86,683 4.828,684 4.868,685 5.866,686 0.64,687 339.41,688 3.332,689 4.875,690 5.727,691 6.619,692 7.498,693 8.401,694 9.294,695 10.202,696 11.103,697 12.015,698 9.1,705 2,706 1,708 1,714 1,715 8,720 4,721 1,722 16,737 1,741 44,743 18,744 1,745 27,747 46,748 18,749 13,750 2,751 4,756 3,757 4,763 1,772 15,773 3,777 2,782 2,786 2,789 1,790 1,793 19,794 5,795 2,796 7,799 1,802 4,803 1,808 0.667,809 3,822 1,828 1,829 2,832 1,843 1,859 2,864 3,868 25,877 2,878 1,893 6.8,896 2,898 1,901 13.5,902 8.867,903 5.556,904 2.486,907 3.401,908 1.469,909 0.981,910 4.946,911 10.654,912 3.638,913 4.273,914 4.876,915 5.544,916 6.121,917 6.527,918 7.008,919 7.471,920 7.721,921 8.073,922 0.857,923 39,924 9.175,926 3.805,927 0.026,929 7.907,931 17.17,933 13.503,936 2.407,937 60.167,941 200.109,942 127.695,943 39.207,945 61.29,948 127.695,949 261.398,950 39.207,951 25.618,952 36.022,953 75.381,954 58.609,955 25.8,956 18.534,957 188.338,959 200.109,960 166.902,961 61.29,964 200.109,965 61.29,968 52.933,969 112.07,970 1.899,972 200.109,973 100.497,974 127.695,977 200.109,978 26.696,979 104.185,980 36.022,981 61.29,982 200.109,983 100.497,984 127.695,986 0.579,987 0.331,988 0.183,989 0.105,990 18,991 9,992 0.087,993 4,994 1,995 1.133,996 3.586,997 207.337,998 0.133,999 15,1000 116.096,1005 17.296,1006 7.149,1007 3.611,1008 0.916,1009 97.311,1010 14.881,1015 2.945,1016 2.004,1017 36.022,1018 428.301,1019 37,1024 22.81,1028 -0.65,1031 44.516,1032 49.735,1034 0.298,1035 0.675,1036 0.826,1037 0.932,1038 0.941,1039 0.941,1040 4.868,1041 1.331,1042 5.727,1043 3.989,1044 4.344,1045 4.959,1046 2.746,1047 6.561,1048 4.251,1049 6.1,1050 1.149,1051 7.3,1052 3.617,1053 4.007,1054 4.89,1055 2.29,1056 7.513,1057 3.857,1058 7.425,1059 0.89,1060 8.974,1061 2.621,1062 5.953,1063 7.229,1064 3.913,1065 10.642,1066 5.747,1067 8.787,1068 0.383,1069 10.708,1070 2.255,1071 6.415,1072 7.989,1073 4.025,1074 12.443,1075 6.133,1076 10.181,1077 0.01,1078 12.481,1079 0.558,1080 7.867,1081 9.839,1082 5.25,1083 15.11,1084 7.537,1085 11.6,1086 -0.252,1087 14.282,1088 0.024,1089 8.705,1090 11.005,1091 5.632,1092 17.273,1093 8.293,1094 13.039,1095 -0.449,1096 16.106,1097 -0.568,1098 9.968,1099 12.661,1100 6.664,1101 19.783,1102 9.506,1103 3.281,1104 -0.771,1105 17.946,1106 -1.141,1107 10.986,1108 14.026,1109 7.197,1110 22.101,1111 10.443,1112 2.791,1113 11.492,1114 19.801,1115 -2,1116 12.18,1117 15.604,1118 8.122,1119 24.559,1120 11.582,1121 2.541,1122 9.203,1123 21.666,1124 4.674,1125 13.282,1126 17.062,1127 8.746,1128 26.942,1129 12.608,1130 2.293,1131 7.569,1132 23.542,1133 3.787,1134 14.456,1135 18.611,1136 9.609,1137 29.384,1138 13.722,1139 2.028,1140 6.838,1141 25.424,1142 3.285,1143 15.597,1144 20.112,1145 10.289,1146 31.797,1147 14.791,1148 1.876,1149 5.331,1150 27.314,1151 2.909,1152 16.768,1153 21.652,1154 11.117,1155 34.234,1156 15.899,1157 1.515,1158 4.965,1159 29.209,1160 2.656,1161 17.929,1162 23.173,1163 11.833,1164 36.661,1165 16.99,1166 6445,1167 11322,1168 17.512,1169 29.097,1170 40.499,1171 42.26,1172 42.418,1173 40.138,1174 40.173,1175 54.557,1176 9.217,1177 116.926,1178 38.434,1179 5.507,1180 5.66,1181 6.443,1182 5.275,1183 5.281,1184 7.674,1185 3.889,1186 19.027,1187 5.076,1188 14.398,1189 1.5,1190 1.565,1191 1.571,1192 1.487,1193 1.488,1194 2.021,1195 0.341,1196 4.331,1197 1.423,1198 4.186,1199 4.236,1200 4.156,1201 4.033,1202 7.435,1203 4.057,1204 3.868,1205 3.891,1206 3.817,1207 3.779,1208 7.429,1209 3.784,1210 3.59,1211 3.641,1212 3.513,1213 3.361,1214 4.997,1215 3.386,1216 3.518,1217 3.579,1218 3.43,1219 3.247,1220 4.774,1221 3.268,1222 3.389,1223 3.449,1224 3.275,1225 3.196,1226 4.337,1227 3.224,1228 3.098,1229 3.185,1230 2.938,1231 2.897,1232 4.229,1233 2.893,1234 3.014,1235 3.056,1236 2.841,1237 2.771,1238 4.023,1239 2.778,1240 2.864,1241 2.963,1242 2.684,1243 2.693,1244 3.993,1245 2.684,1246 0.174,1247 0.136,1248 0.255,1249 0.156,1250 0.122,1251 4.71,1252 0.173,1253 3.66,1254 0.081,1255 6.887,1256 0.426,1257 4.217,1258 0.114,1259 3.281,1260 4.674,1261 2.186,1262 11.492,1263 3.076,1264 1.92,1265 1.893,1266 2.012,1267 2.096,1268 1.134,1269 2.071,1270 1.912,1271 1.874,1272 2.002,1273 2.011,1274 1.112,1275 2.009,1276 1.522,1277 1.466,1278 1.728,1279 1.776,1280 0.791,1281 1.755,1282 1.427,1283 1.374,1284 1.692,1285 1.72,1286 0.709,1287 1.711,1288 1.389,1289 1.313,1290 1.669,1291 1.649,1292 0.68,1293 1.656,1294 1.126,1295 1.051,1296 1.383,1297 1.333,1298 0.463,1299 1.356,1300 0.929,1301 0.888,1302 1.152,1303 1.237,1304 0.19,1305 1.208,1306 0.856,1307 0.784,1308 1.124,1309 1.111,1310 0.186,1311 1.129,1312 4.007,1314 5.333,1315 2.398,1316 6.849,1317 4.844,1318 8.458,1319 7.05,1320 10.119,1322 4.924,1329 5.238,1330 5.193,1340 28.181,1341 71.691,1342 162.034,1343 198.299,1344 223.95,1345 225.95,1346 225.95,1347 37.98,1348 7.253,1349 75.72,1350 75.72,1351 17,1352 12.531,1353 4.248,1354 3.459,1355 41.652,1356 86,1357 97,1358 0.241,1359 175.535,1360 298.11,1361 420.066,1362 12626,1364 17.974,1365 0.719,1366 0.572,1367 17.974,1368 14.291,1369 11.99,1370 0.444,1371 0.292,1372 7.721,1373 11.382,1374 7.469,1375 6.276,1376 11.99,1377 7.876,1378 10.949,1379 0.288,1380 0.15,1381 10.949,1382 5.683,1383 8.798,1384 0.176,1385 0.079,1386 8.798,1387 3.937,1388 7.451,1389 0.11,1390 0.041,1391 7.451,1392 2.788,1393 6.044,1394 0.07,1395 0.022,1396 6.044,1397 1.885,1398 0.371,1399 76.039,1400 0.239,1401 23.996,1402 0.681,1403 130,1404 413.85,1405 147.682,1406 394.686,1407 538.38,1408 368,1409 153,1410 403.616,1411 169.331,1412 403.757,1413 588.21,1414 379,1415 5.347}
{0 CHEMBL1083374,1 1.571,2 17.895,3 3.866,4 14.947,5 140.795,6 7.888,7 0.439,8 4.302,9 4.39,10 3.891,11 3.785,12 5.529,13 3.801,14 4.796,15 4.935,16 4.25,17 4.147,18 6.025,19 4.152,20 5.035,21 5.182,22 4.321,23 4.266,24 6.344,25 4.249,26 5.131,27 5.33,28 4.212,29 4.24,30 6.327,31 4.192,32 5.033,33 5.223,34 4.119,35 4.206,36 6.153,37 4.147,38 5.067,39 5.282,40 4.128,41 4.197,42 6.174,43 4.126,44 4.999,45 5.192,46 4.099,47 4.141,48 6.231,49 4.083,50 4.944,51 5.143,52 3.994,53 4.076,54 6.109,55 4.007,56 0.211,57 0.881,58 12.541,59 6.181,60 24.791,61 6.982,62 0.576,63 1.379,64 23.412,65 9.632,66 43.766,67 11.597,68 0.915,69 1.617,70 31.772,71 12.558,72 102.621,73 14.998,74 1.137,75 1.714,76 39.115,77 13.417,78 122.95,79 17.031,80 0.8,81 1.609,82 33.776,83 12.583,84 88.98,85 15.819,86 0.988,87 1.638,88 36.693,89 13.141,90 100.206,91 17.436,92 1.033,93 1.541,94 33.337,95 11.891,96 118.241,97 15.189,98 0.761,99 1.457,100 31.277,101 11.527,102 89.285,103 14.891,104 53,105 57,106 0.248,107 0.6,108 0.792,109 0.876,110 0.888,111 0.888,112 3.667,113 0.868,114 -2.12,115 -2.17,116 -2.15,121 42.4,123 1,126 2,127 3,137 1,140 1,144 9,145 3,146 6,159 1,161 1,176 9,179 1,180 11,183 2,185 2,187 10,191 1,192 9,196 2,197 4,200 4,205 2,206 11,210 1,211 7,214 6,218 1,219 5,224 3,227 8,231 1,232 6,235 2,237 1,239 7,243 1,244 5,247 4,249 2,251 3,255 1,256 5,259 1,261 5,264 3,268 1,269 2,274 5,277 6,281 3114,282 25.264,283 25.264,284 25.264,285 25.264,286 25.264,287 22.544,288 31.062,289 14.822,290 25.88,291 20.157,292 20.157,293 20.157,294 20.157,295 20.157,296 15.888,297 37.821,298 7.03,299 21.139,300 4.473,301 2.244,302 1.023,303 0.489,304 0.417,305 0.417,306 4.358,312 1,313 1447,314 4.416,317 102.213,318 412.908,321 184.578,325 2.748,326 54.552,329 0.75,330 0.5,331 0.67,332 0.9,333 0.5,334 0.67,335 0.5,336 0.64,337 85,338 680,339 4.533,340 3.728,341 6.694,342 4.171,343 3.191,344 4.153,345 2.186,346 10.797,347 3.127,348 4.359,349 3.66,350 6.31,351 3.936,352 2.977,353 4.045,354 0.916,355 9.31,356 2.85,357 4.105,358 3.219,359 5.681,360 3.723,361 2.761,362 3.688,363 0.86,364 7.996,365 2.661,366 3.901,367 2.988,368 5.663,369 3.47,370 2.515,371 3.346,372 0.86,373 7.62,374 2.4,375 3.672,376 2.939,377 5.317,378 3.378,379 2.448,380 2.916,381 0.366,382 6.817,383 2.26,384 3.585,385 2.641,386 5.289,387 3.204,388 2.236,389 2.885,390 0.172,391 6.764,392 2.155,393 3.377,394 2.605,395 5.084,396 3.113,397 2.158,398 2.515,400 5.777,401 2.041,402 3.232,403 2.394,404 4.879,405 2.818,406 1.879,407 2.481,409 5.59,410 1.774,411 3.223,412 2.232,413 4.862,414 2.816,415 1.85,416 2.431,418 5.225,419 1.749,420 3.079,421 2.167,422 4.745,423 2.752,424 1.783,425 2.166,427 4.928,428 1.717,429 3.025,430 2.002,431 4.584,432 2.613,433 1.669,434 2.159,436 4.81,437 1.557,438 2.663,439 1.614,440 3.618,441 2.318,442 1.365,443 1.733,445 2.94,446 1.293,447 2.512,448 1.404,449 3.556,450 2.17,451 1.181,452 1.457,454 2.599,455 1.165,456 2.378,457 1.275,458 3.481,459 1.892,460 0.881,461 1.259,463 2.184,464 0.88,465 1.671,466 1.127,467 3.22,468 1.387,469 0.501,470 0.557,472 1.196,473 0.437,474 17.467,475 0.46,476 1.03,477 0.027,478 50,479 1.316,480 25.5,481 0.671,482 24.5,483 0.645,484 31.155,485 0.82,486 41.933,487 0.635,488 44.25,489 1.164,490 10.368,491 0.273,492 7.859,493 0.207,494 0.153,496 0.366,501 0.907,502 1.239,503 0.773,504 1.084,505 0.813,506 0.925,507 0.823,508 0.965,509 0.791,510 0.961,511 0.569,512 0.868,513 0.992,514 1.142,515 0.981,516 1.141,517 0.77,518 1.076,519 1.036,520 0.934,521 0.992,522 0.933,523 0.965,524 0.948,525 1.003,526 1.071,527 1.063,528 1.08,529 0.969,530 1.088,531 0.74,532 0.994,533 0.878,534 0.982,535 0.679,536 0.972,537 0.872,538 0.961,539 1.012,540 1.007,541 0.718,542 1.039,543 0.871,544 1.149,545 1.026,546 1.159,547 0.778,548 1.142,549 9,550 0.246,551 3.778,552 3.451,553 1.76,554 1.216,555 0.855,556 0.674,557 0.428,558 0.258,559 26960,560 86304,561 2.022,562 42.4,564 22,567 4,570 2,572 1.78,573 1.869,574 4.084,575 1.475,582 103.718,583 1.571,584 3.801,585 5.021,586 5.556,587 5.628,588 5.628,589 3.527,590 5.037,591 5.219,592 4.296,593 3020.43,594 9.148,595 55787,600 398.93,601 1.49,602 5.165,603 0.22,604 0.008,605 0.066,606 0.06,607 0.035,608 0.026,609 0.018,610 0.015,611 0.011,612 0.007,613 0.464,614 0.17,615 0.75,616 1.002,617 218.567,618 -0.114,619 -0.078,620 0.012,621 -0.005,622 -0.125,623 0.029,624 0.025,625 0.16,626 0.079,627 0.057,628 0.07,629 0.087,630 0.014,631 -0.126,632 -0.051,633 -0.121,634 0.102,635 -0.106,636 -0.033,637 0.033,638 0.011,639 0.045,640 -0.001,641 0.042,642 -0.109,643 -0.077,644 -0.106,645 -0.077,646 -0.107,647 -0.089,648 0.1,649 -0.032,650 0.108,651 0.014,652 0.062,653 0.054,654 0.068,655 0.034,656 -0.035,657 -0.022,658 0.116,659 -0.05,660 -0.002,661 -0.169,662 -0.058,663 -0.161,664 0.043,665 -0.134,666 2.302,667 5.682,668 0.553,669 55.418,670 1.02,671 1.122,672 0.892,673 0.795,674 0.66,675 3.738,676 4.06,677 4.29,678 4.522,679 4.7,680 4.787,681 4.89,682 5.011,683 5.037,684 5.1,685 10.31,686 0.646,687 520.58,688 3.738,689 5.283,690 6.12,691 6.991,692 7.844,693 8.721,694 9.583,695 10.464,696 11.331,697 12.216,698 3,701 1,705 1,715 9,720 9,722 18,727 1,737 1,738 3,739 2,741 66,743 21,744 3,745 41,747 69,748 28,749 18,750 9,751 9,752 3,756 4,757 5,770 1,772 22,773 6,777 3,782 2,784 1,786 3,793 28,794 10,795 4,796 10,802 2,808 0.75,809 8,828 1,829 3,832 1,849 2,855 1,859 3,864 2,868 38,875 3,876 4,877 1,878 3,881 1,893 12.1,895 3,896 2,898 3,901 20.333,902 12.217,903 8.389,904 3.675,907 3.861,908 1.465,909 0.921,910 8.91,911 12.161,912 3.989,913 4.57,914 5.092,915 5.619,916 6.131,917 6.373,918 6.673,919 7.022,920 7.286,921 7.619,922 0.917,923 58,924 14.087,926 6.062,927 0.026,929 8.053,931 25.97,933 20.767,936 2.553,937 97,941 282.506,942 165.32,943 21.135,945 211.34,948 165.32,949 493.846,950 21.135,951 16.793,952 29.349,953 94.762,954 188.717,955 61.411,956 6.763,957 282.506,959 282.506,960 186.455,961 211.34,964 258.964,965 234.882,968 32.473,969 139.262,970 14.72,972 282.506,973 232.475,974 165.32,977 282.506,978 53.765,979 114.68,980 18.011,981 211.34,982 282.506,983 232.475,984 165.32,986 0.583,987 0.335,988 0.17,989 0.089,990 25,991 13,992 0.145,993 10,994 1,995 1.095,996 4.932,997 345.04,998 0.095,999 21,1000 193.421,1005 27.476,1006 12.323,1007 7.064,1009 232.475,1010 14.733,1015 1.406,1017 146.061,1018 680.301,1019 53,1024 24.08,1026 1.373,1028 -0.836,1031 67.309,1032 74.069,1034 0.26,1035 0.629,1036 0.831,1037 0.919,1038 0.931,1039 0.931,1040 5.234,1041 1.879,1042 6.111,1043 5.777,1044 4.745,1045 5.257,1046 2.639,1047 6.899,1048 4.656,1049 6.442,1050 1.85,1051 7.662,1052 5.59,1053 4.369,1054 5.103,1055 1.847,1056 7.722,1057 4.239,1058 7.749,1059 1.783,1060 9.305,1061 5.225,1062 6.326,1063 7.411,1064 3.582,1065 10.806,1066 6.165,1067 9.086,1068 1.669,1069 11.002,1070 4.928,1071 6.723,1072 8.015,1073 3.603,1074 12.437,1075 6.524,1076 10.452,1077 1.365,1078 12.733,1079 4.81,1080 8.172,1081 9.842,1082 4.922,1083 15.055,1084 7.952,1085 11.839,1086 1.181,1087 14.489,1088 2.94,1089 8.94,1090 10.814,1091 5.291,1092 17.07,1093 8.689,1094 13.243,1095 0.881,1096 16.265,1097 2.599,1098 10.187,1099 12.432,1100 6.39,1101 19.518,1102 9.918,1103 3.191,1104 0.501,1105 18.057,1106 2.184,1107 11.14,1108 13.6,1109 6.93,1110 21.718,1111 10.845,1112 2.977,1113 10.797,1114 19.862,1115 1.196,1116 12.307,1117 15.114,1118 7.902,1119 24.105,1120 11.995,1121 2.761,1122 9.31,1123 21.68,1124 4.153,1125 13.351,1126 16.388,1127 8.539,1128 26.393,1129 13.016,1130 2.515,1131 7.996,1132 23.507,1133 4.045,1134 14.489,1135 17.849,1136 9.436,1137 28.761,1138 14.137,1139 2.448,1140 7.62,1141 25.344,1142 3.688,1143 15.578,1144 19.182,1145 10.13,1146 31.091,1147 15.205,1148 2.236,1149 6.817,1150 27.188,1151 3.346,1152 16.709,1153 20.616,1154 10.981,1155 33.455,1156 16.319,1157 2.158,1158 6.764,1159 29.039,1160 2.916,1161 17.821,1162 21.982,1163 11.71,1164 35.805,1165 17.412,1166 25898,1167 46586,1168 26.759,1169 43.546,1170 60.833,1171 63.721,1172 63.053,1173 60.355,1174 60.376,1175 77.293,1176 10.723,1177 172.13,1178 57.569,1179 5.468,1180 5.728,1181 6.38,1182 5.26,1183 5.191,1184 7.153,1185 3.889,1186 17.884,1187 5.127,1188 23.448,1189 1.484,1190 1.554,1191 1.538,1192 1.472,1193 1.473,1194 1.885,1195 0.262,1196 4.198,1197 1.404,1198 4.036,1199 4.043,1200 4.004,1201 3.945,1202 7.435,1203 3.956,1204 3.936,1205 3.962,1206 3.876,1207 3.854,1208 7.427,1209 3.854,1210 3.886,1211 3.893,1212 3.849,1213 3.805,1214 6.562,1215 3.813,1216 3.679,1217 3.739,1218 3.557,1219 3.494,1220 6.446,1221 3.497,1222 3.533,1223 3.591,1224 3.455,1225 3.322,1226 6.383,1227 3.343,1228 3.469,1229 3.49,1230 3.398,1231 3.215,1232 4.919,1233 3.259,1234 3.31,1235 3.376,1236 3.152,1237 3.115,1238 4.813,1239 3.113,1240 3.038,1241 3.085,1242 2.956,1243 2.858,1244 4.604,1245 2.877,1246 0.111,1247 0.091,1248 0.163,1249 0.102,1250 0.078,1251 4.533,1252 0.101,1253 3.728,1254 0.053,1255 6.694,1256 0.263,1257 4.171,1258 0.076,1259 3.191,1260 4.153,1261 2.186,1262 10.797,1263 3.127,1264 1.911,1265 1.887,1266 2.033,1267 2.026,1268 1.254,1269 2.029,1270 1.896,1271 1.885,1272 1.968,1273 1.992,1274 1.12,1275 1.981,1276 1.861,1277 1.85,1278 1.95,1279 1.965,1280 1.081,1281 1.959,1282 1.642,1283 1.576,1284 1.871,1285 1.844,1286 1.045,1287 1.853,1288 1.421,1289 1.422,1290 1.691,1291 1.731,1292 0.781,1293 1.717,1294 1.403,1295 1.335,1296 1.631,1297 1.61,1298 0.681,1299 1.6,1300 1.314,1301 1.236,1302 1.489,1303 1.562,1304 0.544,1305 1.552,1306 1.005,1307 0.946,1308 1.355,1309 1.265,1310 0.497,1311 1.281,1312 4.419,1314 5.74,1315 2.398,1316 7.238,1317 4.844,1318 8.82,1319 7.018,1320 10.449,1322 3.494,1327 28.867,1328 2.636,1329 2.418,1330 16.702,1333 2.128,1340 42.61,1341 103.718,1342 250.859,1343 331.381,1344 366.665,1345 371.42,1346 371.42,1347 100.847,1348 8.3,1349 141.7,1350 141.7,1351 23,1352 12.753,1353 4.459,1354 3.7,1355 68.279,1356 239,1357 232,1358 0.136,1359 260.212,1360 471.46,1361 626.678,1362 59335,1364 27.233,1365 0.717,1366 0.551,1367 27.233,1368 20.932,1369 18.228,1370 0.445,1371 0.289,1372 11.639,1373 17.328,1374 11.362,1375 9.438,1376 18.228,1377 11.863,1378 16.618,1379 0.292,1380 0.153,1381 16.618,1382 8.732,1383 13.635,1384 0.189,1385 0.08,1386 13.635,1387 5.75,1388 10.811,1389 0.119,1390 0.043,1391 10.811,1392 3.898,1393 8.229,1394 0.075,1395 0.023,1396 8.229,1397 2.476,1398 0.225,1399 116.048,1400 0.193,1401 35.642,1402 0.34,1403 196,1404 685.105,1405 222.055,1406 642.492,1407 855.38,1408 596,1409 227,1410 615.533,1411 252.755,1412 615.93,1413 898.34,1414 576,1415 8.524}
{0 CHEMBL1083375,1 1.322,2 12.962,3 5.319,4 28.296,5 106.603,6 5.976,7 0.214,8 4.142,9 4.283,10 3.518,11 3.645,12 5.017,13 3.579,14 4.768,15 4.984,16 3.885,17 4.084,18 5.61,19 3.979,20 5.073,21 5.33,22 3.93,23 4.269,24 5.793,25 4.126,26 5.154,27 5.421,28 3.842,29 4.278,30 5.902,31 4.101,32 5.147,33 5.449,34 3.733,35 4.133,36 5.896,37 3.951,38 4.922,39 5.197,40 3.562,41 3.928,42 5.734,43 3.77,44 4.745,45 5.016,46 3.509,47 3.777,48 5.614,49 3.638,50 4.656,51 4.911,52 3.367,53 3.643,54 5.646,55 3.524,56 0.068,57 0.832,58 15.118,59 6.108,60 8.26,61 8.787,62 0.395,63 1.381,64 27.847,65 10.282,66 33.812,67 15.207,68 0.293,69 1.721,70 36.563,71 13.439,72 27.013,73 19.909,74 0.304,75 1.779,76 39.257,77 14.521,78 37.24,79 21.41,80 0.36,81 1.614,82 38.565,83 13.116,84 43.175,85 19.714,86 0.429,87 1.279,88 31.62,89 10.366,90 39.159,91 15.279,92 0.258,93 1.112,94 26.442,95 8.645,96 30.42,97 12.961,98 0.466,99 0.989,100 25.133,101 7.059,102 47.473,103 10.656,104 29,105 39,106 0.219,107 0.471,108 0.705,109 0.857,110 0.883,111 0.883,112 3.303,113 1.116,114 -4.84,115 -4.75,116 -4.46,121 36.7,122 3,123 7,125 1,127 3,129 1,144 3,145 2,146 1,161 1,176 13,179 1,180 6,183 2,185 1,187 16,192 5,197 1,200 14,206 8,211 3,214 8,219 8,224 3,227 6,231 1,232 4,237 3,239 4,244 5,249 4,251 5,255 1,256 3,259 1,264 6,269 2,277 9,281 1088,282 17.687,283 17.687,284 17.687,285 17.687,286 17.687,287 16.846,288 22.483,289 10.688,290 18.004,291 13.735,292 13.735,293 13.735,294 13.735,295 13.735,296 12.355,297 28.055,298 4.985,299 14.19,300 4.585,301 3.062,302 1.643,303 0.73,304 0.571,305 0.571,306 3.984,311 1,312 1,313 715,314 4.183,317 107.597,318 61.869,320 86.79,321 92.962,324 130.05,325 1.967,326 18.344,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 55,338 337,339 4.78,340 3.899,341 7.933,342 4.675,343 3.685,344 4.16,345 2.186,346 14.943,347 3.652,348 3.988,349 3.662,350 6.169,351 3.648,352 2.696,353 3.314,354 0.8,355 8.716,356 2.571,357 3.669,358 2.858,359 5.67,360 3.363,361 2.426,362 2.875,363 0.366,364 7.464,365 2.255,366 3.35,367 2.593,368 5.407,369 3.209,370 2.241,371 2.521,373 7.008,374 2.156,375 3.299,376 2.394,377 4.802,378 2.968,379 1.995,380 2.388,382 5.418,383 1.932,384 2.843,385 1.9,386 4.66,387 2.808,388 1.81,389 1.842,391 4.059,392 1.801,393 2.613,394 1.574,395 4.149,396 2.388,397 1.401,398 1.646,400 3.616,401 1.379,402 2.43,403 1.52,404 3.827,405 2.322,406 1.339,407 1.421,409 2.988,410 1.312,411 2.289,412 1.167,413 3.399,414 2.113,415 1.121,416 1.274,418 2.662,419 1.111,420 1.846,421 1.036,422 3.324,423 1.781,424 0.805,425 0.823,427 1.497,428 0.781,429 1.731,430 0.874,431 2.975,432 1.65,433 0.669,434 0.699,436 1.327,437 0.655,438 1.392,439 0.715,440 2.823,441 1.21,442 0.251,443 0.27,445 0.486,446 0.239,447 1.168,448 0.377,449 2.712,450 1.075,451 0.091,452 0.095,454 0.157,455 0.089,456 0.961,457 0.225,458 2.534,459 0.727,460 -0.24,461 -0.267,463 -0.526,464 -0.23,465 0.613,466 -0.246,467 2.394,468 0.41,469 -0.581,470 -0.603,472 -1.063,473 -0.568,474 12.467,475 0.479,476 0.592,477 0.023,478 24,479 0.923,480 8,481 0.308,482 16,483 0.615,484 29.888,485 1.15,486 30.733,487 0.512,488 14.996,489 0.577,490 3.762,491 0.145,492 8.818,493 0.339,494 0.147,495 0.04,496 0.233,501 0.796,502 1.475,503 1.022,504 1.315,505 0.619,506 1.206,507 0.626,508 1.116,509 0.972,510 1.067,511 0.388,512 1.048,513 0.955,514 1.041,515 0.999,516 1.021,517 0.661,518 1.01,519 0.934,520 1.169,521 1.071,522 1.17,523 0.865,524 1.141,525 1.093,526 0.953,527 0.888,528 0.927,529 1.132,530 0.891,531 1.727,532 0.918,533 1.084,534 0.916,535 1.508,536 0.94,537 1.433,538 1.134,539 0.97,540 1.036,541 1.64,542 0.97,543 2.542,544 0.798,545 1.332,546 0.824,547 3.339,548 0.935,549 5.5,550 0.094,551 3.333,552 2.396,553 1.366,554 0.663,555 0.497,556 0.322,557 0.225,558 0.135,559 8295,560 14104,561 2.027,562 56.7,563 14,564 10,567 1,569 9,572 1.685,573 1.891,574 3.579,575 -0.408,582 79.332,583 1.322,584 2.845,585 4.264,586 5.177,587 5.336,588 5.336,589 3.109,590 4.547,591 4.659,592 3.763,593 1222.93,594 8.05,595 15786.9,600 354.413,601 1.542,602 4.619,603 0.196,604 0.006,605 0.085,606 0.06,607 0.04,608 0.022,609 0.02,610 0.013,611 0.011,612 0.008,613 0.462,614 0.33,615 1,616 2.327,617 129.715,618 0.02,619 -0.133,620 0.061,621 -0.048,622 -0.005,623 0.002,624 0.306,625 0.07,626 0.073,627 0.038,628 0.25,629 0.033,630 -0.049,631 0.03,632 0.004,633 0.019,634 0.014,635 0.02,636 -0.032,637 -0.15,638 -0.087,639 -0.144,640 0.009,641 -0.124,642 0.008,643 -0.03,644 0.091,645 0.008,646 0.008,647 0.053,648 -0.086,649 0.02,650 -0.037,651 0.025,652 -0.132,654 -0.012,655 -0.167,656 0.063,657 -0.076,658 -0.032,659 -0.01,660 -0.227,661 0.199,662 -0.186,663 0.061,664 -0.33,665 -0.044,666 1.998,667 5.066,668 0.462,669 29.195,670 0.983,671 1.134,672 3.614,673 13.063,674 0.618,675 3.367,676 3.689,677 3.989,678 4.29,679 4.5,680 4.625,681 4.796,682 4.875,683 4.868,684 4.875,685 7.154,686 0.565,687 358.58,688 3.367,689 4.905,690 5.765,691 6.666,692 7.564,693 8.486,694 9.405,695 10.34,696 11.273,697 12.216,698 3.3,701 1,705 1,715 3,720 3,722 6,737 1,741 60,743 7,744 1,745 28,747 62,748 22,749 6,750 3,751 3,756 3,757 6,763 3,764 1,766 1,767 3,770 8,772 7,773 15,777 1,782 1,786 1,793 34,794 4,795 1,796 4,802 2,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 3,868 26,876 10,877 1,878 1,880 1,881 1,882 1,893 3.3,896 1,898 1,901 13.75,902 11.367,903 5.931,904 4.399,907 1.282,908 1.174,909 0.926,910 6.497,911 8.642,912 3.497,913 3.961,914 4.422,915 4.93,916 5.402,917 5.652,918 6.019,919 6.272,920 6.335,921 6.418,922 0.889,923 40,924 9.718,926 4.04,927 0.026,929 7.471,931 19.518,933 16.51,936 1.971,937 51.25,941 388.446,942 97.34,943 21.135,945 36.145,948 97.34,949 424.591,950 21.135,951 26.476,952 42.07,953 28.429,954 25.145,955 25.739,956 6.763,957 388.446,959 388.446,960 118.475,961 36.145,964 282.506,965 142.085,968 71.67,969 46.806,972 388.446,973 57.28,974 97.34,977 388.446,978 42.436,979 58.029,980 18.011,981 36.145,982 388.446,983 57.28,984 97.34,986 0.567,987 0.333,988 0.181,989 0.097,990 18,991 8,992 0.145,993 9,994 2,995 1.333,996 3.846,997 209.956,998 0.333,999 12,1000 120.211,1005 19.538,1006 8.645,1007 4.215,1009 57.28,1010 6.204,1015 3.465,1017 18.011,1018 543.067,1019 32,1024 12.066,1028 -0.332,1031 58.996,1032 68.059,1034 0.224,1035 0.482,1036 0.722,1037 0.876,1038 0.903,1039 0.903,1040 4.766,1041 1.339,1042 5.778,1043 3.616,1044 4.369,1045 4.644,1046 2.351,1047 6.683,1048 4.311,1049 5.933,1050 1.121,1051 7.398,1052 2.988,1053 4.111,1054 4.494,1055 1.847,1056 8.069,1057 4.039,1058 7.249,1059 0.805,1060 9.151,1061 2.662,1062 6.075,1063 6.672,1064 3.504,1065 11.226,1066 5.973,1067 8.609,1068 0.669,1069 10.992,1070 1.497,1071 6.735,1072 7.368,1073 3.598,1074 13.535,1075 6.639,1076 10.016,1077 0.251,1078 12.896,1079 1.327,1080 8.21,1081 9.083,1082 4.907,1083 16.344,1084 8.097,1085 11.454,1086 0.091,1087 14.844,1088 0.486,1089 9.269,1090 10.151,1091 5.29,1092 18.938,1093 9.165,1094 12.919,1095 -0.24,1096 16.825,1097 0.157,1098 10.603,1099 11.7,1100 6.387,1101 21.668,1102 10.491,1103 3.685,1104 -0.581,1105 18.83,1106 -0.526,1107 11.817,1108 12.943,1109 6.93,1110 24.341,1111 11.709,1112 2.696,1113 14.943,1114 20.852,1115 -1.063,1116 13.119,1117 14.424,1118 7.902,1119 27.053,1120 13.005,1121 2.426,1122 8.716,1123 22.887,1124 4.16,1125 14.389,1126 15.754,1127 8.539,1128 29.748,1129 14.273,1130 2.241,1131 7.464,1132 24.931,1133 3.314,1134 15.687,1135 17.205,1136 9.436,1137 32.454,1138 15.565,1139 1.995,1140 7.008,1141 26.983,1142 2.875,1143 16.977,1144 18.579,1145 10.13,1146 35.156,1147 16.85,1148 1.81,1149 5.418,1150 29.039,1151 2.521,1152 18.277,1153 20.016,1154 10.981,1155 37.861,1156 18.143,1157 1.401,1158 4.059,1159 31.099,1160 2.388,1161 19.575,1162 21.413,1163 11.71,1164 40.564,1165 19.434,1166 8259,1167 10940,1168 18.375,1169 37.103,1170 41.083,1171 42.192,1172 43.418,1173 41.071,1174 41.06,1175 46.655,1176 6.705,1177 120.684,1178 39.865,1179 5.743,1180 5.899,1181 7.897,1182 5.754,1183 5.685,1184 7.16,1185 3.889,1186 23.402,1187 5.652,1188 13.414,1189 1.467,1190 1.507,1191 1.551,1192 1.467,1193 1.466,1194 1.666,1195 0.239,1196 4.31,1197 1.424,1198 4.099,1199 4.132,1200 4.038,1201 4.028,1202 7.435,1203 4.026,1204 3.785,1205 3.851,1206 3.659,1207 3.648,1208 4.819,1209 3.631,1210 3.717,1211 3.763,1212 3.598,1213 3.578,1214 4.418,1215 3.581,1216 3.573,1217 3.645,1218 3.434,1219 3.384,1220 4.256,1221 3.377,1222 3.415,1223 3.492,1224 3.233,1225 3.243,1226 4.149,1227 3.225,1228 3.338,1229 3.399,1230 3.167,1231 3.108,1232 4.034,1233 3.124,1234 3.165,1235 3.241,1236 2.984,1237 3.006,1238 3.941,1239 2.991,1240 3.076,1241 3.184,1242 2.819,1243 2.881,1244 3.741,1245 2.852,1246 0.171,1247 0.139,1248 0.283,1249 0.167,1250 0.132,1251 4.78,1252 0.149,1253 3.899,1254 0.078,1255 7.933,1256 0.534,1257 4.675,1258 0.13,1259 3.685,1260 4.16,1261 2.186,1262 14.943,1263 3.652,1264 1.911,1265 1.893,1266 2.039,1267 1.998,1268 1.379,1269 2.003,1270 1.782,1271 1.718,1272 2.012,1273 1.948,1274 1.312,1275 1.98,1276 1.677,1277 1.623,1278 1.892,1279 1.863,1280 1.218,1281 1.876,1282 1.593,1283 1.522,1284 1.854,1285 1.794,1286 1.121,1287 1.814,1288 1.561,1289 1.486,1290 1.84,1291 1.756,1292 1.071,1293 1.789,1294 1.298,1295 1.238,1296 1.608,1297 1.566,1298 0.828,1299 1.571,1300 1.25,1301 1.165,1302 1.576,1303 1.487,1304 0.778,1305 1.53,1306 1.102,1307 1.025,1308 1.452,1309 1.346,1310 0.597,1311 1.381,1312 4.043,1314 5.361,1315 3.045,1316 6.882,1317 5.587,1318 8.515,1319 7.832,1320 10.221,1322 6.829,1328 11.213,1329 2.878,1330 5.55,1332 0.592,1333 2.589,1334 0.195,1340 33.901,1341 79.332,1342 170.677,1343 255.845,1344 310.639,1345 320.149,1346 320.149,1347 47.741,1348 7.36,1349 41.57,1350 41.57,1351 16,1352 12.712,1353 3,1354 2.322,1355 44.826,1356 109,1357 146,1358 0.201,1359 209.493,1360 370.2,1361 502.924,1362 15119,1364 18.571,1365 0.714,1366 0.64,1367 18.571,1368 16.644,1369 12.58,1370 0.449,1371 0.372,1372 10.321,1373 12.211,1374 9.993,1375 8.361,1376 12.58,1377 10.413,1378 10.998,1379 0.282,1380 0.207,1381 10.998,1382 8.065,1383 9.286,1384 0.175,1385 0.12,1386 9.286,1387 6.371,1388 7.743,1389 0.108,1390 0.066,1391 7.743,1392 4.747,1393 6.126,1394 0.069,1395 0.037,1396 6.126,1397 3.295,1398 0.324,1399 77.902,1400 0.233,1401 25.637,1402 0.526,1403 134,1404 301.449,1405 144.889,1406 288.9,1407 400.93,1408 272,1409 159,1410 301.064,1411 168.812,1412 302.655,1413 448.01,1414 286,1415 7.237}
{0 CHEMBL1083379,1 1.41,2 20.75,3 7.774,4 60.427,5 157.802,6 6.809,7 0.419,8 4.445,9 4.562,10 3.929,11 3.967,12 5.473,13 3.931,14 5.008,15 5.191,16 4.242,17 4.338,18 6.016,19 4.272,20 5.281,21 5.506,22 4.302,23 4.465,24 6.207,25 4.374,26 5.323,27 5.567,28 4.26,29 4.424,30 6.308,31 4.324,32 5.249,33 5.484,34 4.14,35 4.382,36 6.198,37 4.27,38 5.225,39 5.474,40 4.072,41 4.347,42 6.126,43 4.216,44 5.187,45 5.434,46 3.971,47 4.285,48 6.057,49 4.148,50 5.125,51 5.37,52 3.93,53 4.218,54 6.007,55 4.091,56 0.035,57 1.068,58 18.019,59 7.994,60 9.542,61 10.564,62 0.419,63 1.726,64 33.721,65 12.96,66 41.776,67 17.746,68 0.395,69 2.093,70 45.57,71 16.809,72 51.564,73 23.113,74 0.716,75 2.116,76 48.697,77 16.733,78 84.563,79 23.415,80 0.58,81 2.001,82 44.878,83 15.626,84 71.983,85 21.737,86 0.57,87 1.954,88 43.646,89 15.673,90 67.365,91 22.145,92 0.559,93 1.851,94 42.32,95 14.984,96 62.709,97 20.857,98 0.47,99 1.718,100 39.806,101 14.051,102 59.159,103 19.463,104 25,105 56,106 0.215,107 0.495,108 0.707,109 0.853,110 0.904,111 0.904,112 3.716,113 1.001,114 -5.09,115 -4.99,116 -4.68,121 41.3,122 1,123 7,126 1,127 4,144 11,145 3,146 4,159 1,161 1,176 16,179 1,180 13,183 2,185 1,187 16,192 12,197 1,200 9,205 2,206 15,211 3,214 10,218 1,219 6,224 3,227 12,231 2,232 6,237 2,239 14,243 1,244 6,247 1,251 11,256 9,264 10,269 7,274 1,277 10,281 3730,282 27.405,283 27.405,284 27.405,285 27.405,286 27.405,287 25.022,288 30.132,289 17.061,290 27.909,291 21.281,292 21.281,293 21.281,294 21.281,295 21.281,296 17.559,297 38.277,298 8.201,299 22.074,300 4.912,301 3.08,302 1.689,303 0.732,304 0.394,305 0.394,306 4.415,312 1,313 1778,314 4.899,318 510.744,322 389.296,325 3.325,326 36.908,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 86,338 830,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 2.186,346 11.061,347 3.18,348 4.105,349 3.665,350 6.011,351 3.724,352 2.762,353 3.688,354 0.916,355 8.529,356 2.661,357 4.048,358 2.995,359 5.683,360 3.613,361 2.642,362 3.676,363 0.86,364 8.002,365 2.563,366 3.684,367 2.984,368 5.407,369 3.394,370 2.462,371 2.964,372 0.86,373 6.913,374 2.276,375 3.617,376 2.82,377 5.298,378 3.232,379 2.271,380 2.895,381 0.366,382 6.851,383 2.172,384 3.388,385 2.634,386 5.124,387 3.147,388 2.193,389 2.527,390 0.172,391 6.04,392 2.077,393 3.309,394 2.495,395 4.887,396 2.953,397 2.014,398 2.504,400 5.696,401 1.871,402 3.093,403 2.172,404 4.611,405 2.842,406 1.868,407 2.177,409 4.932,410 1.815,411 2.905,412 1.875,413 4.125,414 2.741,415 1.745,416 2.081,418 3.498,419 1.731,420 2.798,421 1.799,422 3.777,423 2.615,424 1.644,425 1.812,427 3.456,428 1.589,429 2.724,430 1.638,431 3.768,432 2.429,433 1.438,434 1.8,436 3.383,437 1.421,438 2.705,439 1.461,440 3.707,441 2.244,442 1.258,443 1.747,445 3.073,446 1.237,447 2.644,448 1.376,449 3.5,450 2.235,451 1.25,452 1.681,454 2.638,455 1.227,456 2.428,457 1.324,458 3.489,459 2.167,460 1.172,461 1.305,463 2.296,464 1.163,465 2.278,466 1.297,467 3.272,468 2.014,469 1.058,470 1.26,472 2.282,473 1.003,474 18.967,475 0.474,476 0.729,477 0.018,478 47.25,479 1.181,480 22.5,481 0.563,482 24.75,483 0.619,484 39.048,485 0.976,486 44.633,487 0.558,488 37.637,489 0.941,490 8.969,491 0.224,492 10.56,493 0.264,494 0.088,496 0.258,501 0.769,502 1.332,503 0.867,504 1.207,505 0.582,506 1.072,507 0.839,508 1.078,509 0.952,510 1.072,511 0.531,512 1.025,513 1.088,514 1.045,515 0.923,516 1.016,517 0.793,518 0.955,519 1.107,520 0.949,521 0.912,522 0.907,523 1.036,524 0.882,525 1.258,526 0.976,527 1.069,528 0.955,529 1.361,530 0.978,531 0.919,532 1.006,533 0.992,534 1.006,535 0.894,536 1.008,537 1.161,538 0.955,539 1.096,540 1.003,541 1.065,542 1.035,543 1.272,544 1.016,545 1.063,546 0.989,547 1.083,548 0.999,549 6.5,550 0.194,551 2.889,552 2.5,553 1.933,554 0.924,555 0.645,556 0.377,557 0.287,558 0.188,559 34173,560 79954,561 2.065,562 50,563 11,564 22,567 1,569 6,572 1.79,573 1.967,574 4.278,575 -0.442,582 112.802,583 1.41,584 3.242,585 4.633,586 5.59,587 5.928,588 5.928,589 3.771,590 4.972,591 5.293,592 4.498,593 3508.51,594 9.284,595 70976.9,600 505.754,601 1.236,602 5.269,603 0.151,604 0.006,605 0.052,606 0.043,607 0.036,608 0.019,609 0.015,610 0.01,611 0.008,612 0.005,613 0.344,614 0.17,615 0.75,616 1.53,617 237.065,618 -0.002,619 -0.127,620 0.057,621 -0.068,622 -0.005,623 -0.007,624 0.119,625 0.039,626 0.019,627 -0.032,628 0.143,629 -0.019,630 -0.039,631 -0.042,632 0.069,633 -0.014,634 0.036,635 0.037,636 0.061,637 0.026,638 0.104,639 0.056,640 0.1,641 0.084,642 -0.108,643 0.024,644 -0.059,645 0.017,646 -0.115,647 -0.01,648 0.041,649 -0.019,650 -0.006,651 -0.028,652 0.004,653 -0.024,654 -0.073,655 0.023,656 -0.094,657 -0.034,658 -0.109,659 -0.063,660 -0.123,661 -0.059,662 -0.054,663 -0.015,664 -0.079,665 -0.026,666 2.064,667 5.695,668 0.5,669 64,670 0.995,671 1.124,672 3.865,673 14.938,674 0.647,675 3.784,676 4.043,677 4.263,678 4.511,679 4.727,680 4.804,681 4.898,682 5.017,683 5.056,684 4.99,685 11.719,686 0.608,687 544.75,688 3.784,689 5.293,690 6.111,691 6.961,692 7.801,693 8.664,694 9.517,695 10.39,696 11.252,697 12.132,698 2.5,701 1,705 1,715 11,720 7,722 18,727 1,737 1,739 2,741 80,743 20,744 3,745 43,747 83,748 33,749 18,750 7,751 11,752 1,756 4,757 7,763 1,770 7,772 20,773 13,777 2,782 2,786 2,793 40,794 7,795 1,796 7,802 2,808 0.5,809 5,829 4,833 2,855 1,859 2,864 2,868 40,876 11,877 1,878 3,881 1,893 6.3,896 2,898 3,901 20.333,902 14.7,903 9.111,904 5.338,907 3.516,908 1.419,909 0.954,910 11.593,911 11.912,912 4.007,913 4.505,914 5.006,915 5.547,916 6.06,917 6.273,918 6.599,919 6.953,920 7.218,921 7.388,922 0.929,923 58,924 14.875,926 6.149,927 0.026,929 7.663,931 28.844,933 23.174,936 2.163,937 86.5,941 459.073,942 192.538,943 21.135,945 83.29,948 192.538,949 542.362,950 21.135,951 17.222,952 46.662,953 104.239,954 55.423,955 66.654,956 6.763,957 459.073,959 459.073,960 213.673,961 83.29,964 388.446,965 153.916,968 58.611,969 155.062,972 459.073,973 104.425,974 192.538,977 459.073,978 71.078,979 124.585,980 18.011,981 83.29,982 459.073,983 104.425,984 192.538,986 0.558,987 0.312,988 0.17,989 0.092,990 22,991 10,992 0.193,993 16,994 2,995 1.2,996 5.324,997 352.945,998 0.2,999 20,1000 212.877,1005 29.792,1006 15.565,1007 9.183,1009 104.425,1010 20.402,1015 4.651,1017 18.011,1018 756.036,1019 54,1024 24.739,1028 -0.42,1031 79.629,1032 89.932,1034 0.223,1035 0.513,1036 0.733,1037 0.884,1038 0.938,1039 0.938,1040 5.218,1041 1.868,1042 6.052,1043 5.696,1044 4.727,1045 5.193,1046 2.639,1047 6.795,1048 4.658,1049 6.369,1050 1.745,1051 7.56,1052 4.932,1053 4.111,1054 4.832,1055 1.847,1056 7.551,1057 4.007,1058 7.638,1059 1.644,1060 9.171,1061 3.498,1062 6.24,1063 7.265,1064 3.582,1065 10.681,1066 6.107,1067 8.942,1068 1.438,1069 10.848,1070 3.456,1071 6.479,1072 7.753,1073 3.603,1074 12.336,1075 6.327,1076 10.283,1077 1.258,1078 12.57,1079 3.383,1080 8.032,1081 9.653,1082 4.922,1083 14.979,1084 7.857,1085 11.65,1086 1.25,1087 14.325,1088 3.073,1089 8.712,1090 10.561,1091 5.291,1092 17.037,1093 8.534,1094 13.04,1095 1.172,1096 16.105,1097 2.638,1098 10.014,1099 12.22,1100 6.39,1101 19.518,1102 9.819,1103 3.215,1104 1.058,1105 17.905,1106 2.296,1107 10.928,1108 13.351,1109 6.93,1110 21.761,1111 10.736,1112 2.762,1113 11.061,1114 19.722,1115 2.282,1116 12.124,1117 14.89,1118 7.902,1119 24.186,1120 11.921,1121 2.642,1122 8.529,1123 21.553,1124 4.198,1125 13.158,1126 16.144,1127 8.539,1128 26.514,1129 12.956,1130 2.462,1131 8.002,1132 23.395,1133 3.688,1134 14.315,1135 17.622,1136 9.436,1137 28.922,1138 14.107,1139 2.271,1140 6.913,1141 25.248,1142 3.676,1143 15.409,1144 18.946,1145 10.13,1146 31.289,1147 15.2,1148 2.193,1149 6.851,1150 27.108,1151 2.964,1152 16.556,1153 20.393,1154 10.981,1155 33.692,1156 16.343,1157 2.014,1158 6.04,1159 28.977,1160 2.895,1161 17.681,1162 21.757,1163 11.71,1164 36.077,1165 17.464,1166 32601,1167 50229,1168 29.008,1169 51.75,1170 61.845,1171 64.266,1172 63.408,1173 61.437,1174 61.361,1175 76.526,1176 10.723,1177 164.546,1178 59.287,1179 5.506,1180 5.692,1181 6.727,1182 5.301,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.18,1188 18.483,1189 1.438,1190 1.495,1191 1.475,1192 1.429,1193 1.427,1194 1.78,1195 0.249,1196 3.827,1197 1.379,1198 4.051,1199 4.06,1200 4.015,1201 3.966,1202 7.435,1203 3.976,1204 3.943,1205 3.972,1206 3.88,1207 3.858,1208 7.427,1209 3.858,1210 3.787,1211 3.827,1212 3.717,1213 3.713,1214 4.947,1215 3.709,1216 3.759,1217 3.82,1218 3.606,1219 3.623,1220 4.813,1221 3.606,1222 3.717,1223 3.769,1224 3.579,1225 3.583,1226 4.708,1227 3.571,1228 3.543,1229 3.609,1230 3.418,1231 3.32,1232 4.38,1233 3.327,1234 3.488,1235 3.564,1236 3.339,1237 3.288,1238 4.315,1239 3.286,1240 3.282,1241 3.327,1242 3.171,1243 3.081,1244 4.247,1245 3.099,1246 0.106,1247 0.086,1248 0.158,1249 0.098,1250 0.075,1251 4.553,1252 0.098,1253 3.692,1254 0.051,1255 6.774,1256 0.257,1257 4.203,1258 0.074,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.06,1267 2.084,1268 1.353,1269 2.074,1270 1.911,1271 1.885,1272 2.04,1273 2.027,1274 1.343,1275 2.032,1276 1.78,1277 1.754,1278 2.023,1279 1.942,1280 1.173,1281 1.971,1282 1.764,1283 1.698,1284 1.971,1285 1.914,1286 1.159,1287 1.935,1288 1.72,1289 1.661,1290 1.88,1291 1.846,1292 1.035,1293 1.859,1294 1.502,1295 1.429,1296 1.795,1297 1.749,1298 0.989,1299 1.762,1300 1.468,1301 1.392,1302 1.74,1303 1.697,1304 0.946,1305 1.718,1306 1.211,1307 1.168,1308 1.528,1309 1.489,1310 0.72,1311 1.485,1312 4.466,1314 5.74,1316 7.206,1318 8.775,1320 10.409,1322 4.264,1328 10.463,1329 2.823,1330 17.311,1333 2.267,1340 48.626,1341 112.802,1342 259.389,1343 370.623,1344 447.225,1345 474.244,1346 474.244,1347 89.593,1348 8.396,1349 81.01,1350 81.01,1351 24,1352 12.672,1353 4.392,1354 3.585,1355 74.184,1356 289,1357 310,1358 0.12,1359 299.113,1360 534.23,1361 721.595,1362 74793,1364 28.158,1365 0.704,1366 0.59,1367 28.158,1368 23.617,1369 19.529,1370 0.454,1371 0.334,1372 14.175,1373 18.839,1374 13.832,1375 11.585,1376 19.529,1377 14.348,1378 16.681,1379 0.298,1380 0.183,1381 16.681,1382 10.257,1383 13.296,1384 0.19,1385 0.098,1386 13.296,1387 6.863,1388 11.118,1389 0.124,1390 0.052,1391 11.118,1392 4.705,1393 8.724,1394 0.078,1395 0.028,1396 8.724,1397 3.092,1398 0.204,1399 122.022,1400 0.186,1401 37.742,1402 0.292,1403 198,1404 574.656,1405 218.077,1406 543.196,1407 738.95,1408 510,1409 225,1410 539.723,1411 244.445,1412 541.197,1413 790.73,1414 509,1415 7}
{0 CHEMBL1083488,1 1.269,2 14.421,3 8.021,4 64.343,5 156.76,6 6.428,7 0.512,8 4.437,9 4.576,10 3.895,11 4.018,12 5.329,13 3.956,14 5.036,15 5.237,16 4.233,17 4.45,18 5.854,19 4.348,20 5.388,21 5.649,22 4.411,23 4.654,24 6.131,25 4.533,26 5.428,27 5.689,28 4.332,29 4.644,30 6.185,31 4.503,32 5.403,33 5.668,34 4.266,35 4.63,36 6.13,37 4.484,38 5.423,39 5.685,40 4.143,41 4.645,42 6.113,43 4.464,44 5.471,45 5.766,46 3.975,47 4.601,48 6.08,49 4.377,50 5.374,51 5.694,52 3.739,53 4.424,54 5.917,55 4.175,56 0.093,57 1.16,58 18.81,59 7.741,60 11.304,61 11.198,62 0.22,63 1.971,64 34.698,65 13.688,66 23.325,67 20.073,68 0.324,69 2.622,70 49.769,71 18.426,72 35.65,73 27.689,74 0.479,75 2.739,76 52.326,77 18.315,78 42.585,79 27.811,80 0.41,81 2.64,82 50.927,83 17.954,84 38.294,85 27.279,86 0.359,87 2.635,88 51.46,89 19.684,90 35.552,91 29.201,92 0.354,93 2.596,94 53.687,95 21.555,96 36.944,97 31.604,98 0.288,99 2.258,100 48.662,101 19.494,102 31.264,103 28.719,105 58,106 0.193,107 0.468,108 0.628,109 0.755,110 0.805,111 0.828,112 3.667,113 1.049,114 -6.04,115 -5.89,116 -5.48,121 41.8,123 14,127 2,144 6,145 4,146 2,147 1,148 3,151 1,176 19,179 1,180 9,185 6,187 19,192 8,197 6,200 17,206 8,209 3,211 9,214 14,219 2,224 7,227 22,232 5,239 27,244 3,248 1,251 26,256 3,264 16,269 3,274 4,277 12,281 2584,282 26.932,283 26.932,284 26.932,285 26.932,286 26.932,287 24.357,288 23.565,289 16.646,290 27.219,291 21.356,292 21.356,293 21.356,294 21.356,295 21.356,296 17.308,297 24.816,298 7.989,299 21.841,300 5.035,301 3.23,302 2.177,303 1.342,304 1.013,305 0.861,306 4.396,313 1238,314 3.606,318 338.331,319 195.931,322 287.818,323 317.751,325 1.889,326 18.16,329 0.5,330 0.5,331 0.67,332 0.7,333 0.5,334 0.83,335 1,336 0.67,337 78.5,338 548,339 4.639,340 3.357,341 6.829,342 4.204,343 3.224,344 4.563,345 0.4,346 11.347,347 3.159,348 4.639,349 3.357,350 6.829,351 4.199,352 3.224,353 4.563,354 0.4,355 11.347,356 3.145,357 3.909,358 2.661,359 5.981,360 3.517,361 2.524,362 3.434,364 8.363,365 2.504,366 3.909,367 2.661,368 5.981,369 3.505,370 2.524,371 3.434,373 8.363,374 2.475,375 3.524,376 2.366,377 5.382,378 3.143,379 2.191,380 2.894,382 6.714,383 2.087,384 3.523,385 2.361,386 5.382,387 3.127,388 2.182,389 2.893,391 6.714,392 2.057,393 2.943,394 1.922,395 4.143,396 2.835,397 1.845,398 2.142,400 3.82,401 1.826,402 2.94,403 1.786,404 4.142,405 2.627,406 1.637,407 2.141,409 3.547,410 1.621,411 2.871,412 1.671,413 4.006,414 2.624,415 1.631,416 1.884,418 3.474,419 1.618,420 2.669,421 1.608,422 3.958,423 2.492,424 1.518,425 1.703,427 3.447,428 1.477,429 2.648,430 1.557,431 3.798,432 2.411,433 1.419,434 1.667,436 3.412,437 1.408,438 2.622,439 1.474,440 3.709,441 2.388,442 1.404,443 1.636,445 3.218,446 1.379,447 2.612,448 1.418,449 3.673,450 2.341,451 1.35,452 1.633,454 3.054,455 1.337,456 2.528,457 1.415,458 3.611,459 2.324,460 1.342,461 1.528,463 2.982,464 1.314,465 2.259,466 1.261,467 3.567,468 2.093,469 1.135,470 1.245,472 2.63,473 1.084,474 18.5,475 0.487,476 0.548,477 0.014,478 45,479 1.184,480 21,481 0.553,482 24,483 0.632,484 42.447,485 1.117,486 40.9,487 0.518,488 30.015,489 0.79,490 7.418,491 0.195,492 11.464,493 0.302,496 0.27,501 0.955,502 1.264,503 0.939,504 1.091,505 0.77,506 1.027,507 0.939,508 1.239,509 1.014,510 1.138,511 0.796,512 1.092,513 0.998,514 1.055,515 0.83,516 0.9,517 0.831,518 0.861,519 1.342,520 1.08,521 1.087,522 1.027,523 1.172,524 1.037,525 1.518,526 0.979,527 1.117,528 0.962,529 1.367,530 1.001,531 1.228,532 1.067,533 1.239,534 1.16,535 1.267,536 1.193,537 0.774,538 0.96,539 1.084,540 1.094,541 0.984,542 1.109,543 0.626,544 0.914,545 0.952,546 1.006,547 0.775,548 1.004,549 3.5,550 0.056,551 3.333,552 2.5,553 2.116,554 0.889,555 0.449,556 0.253,557 0.169,558 0.112,559 28041,560 51209,561 2.225,562 51.9,563 20,564 10,566 1,567 2,568 4,569 4,572 1.781,573 2.192,574 3.696,575 0.044,582 100.264,583 1.269,584 3.074,585 4.127,586 4.962,587 5.291,588 5.443,589 2.86,590 4.143,591 5.232,592 3.985,593 2801.8,594 9.169,595 51042.9,600 497.999,601 0.831,602 5.222,603 0.081,604 0.002,605 0.057,606 0.036,607 0.035,608 0.016,609 0.009,610 0.006,611 0.006,612 0.004,613 0.253,614 0.17,615 0.63,617 215.41,618 0.024,619 -0.057,620 0.071,621 0.021,622 0.163,623 0.044,624 0.072,625 -0.127,626 -0.013,627 -0.086,628 0.161,629 -0.061,630 0.085,631 -0.03,632 0.169,633 0.093,634 0.179,635 0.13,636 0.01,637 -0.023,638 -0.069,639 -0.065,640 -0.004,641 -0.072,642 -0.213,643 0.07,644 -0.103,645 0.004,646 -0.233,647 -0.033,648 -0.224,649 -0.052,650 -0.25,651 -0.162,652 -0.289,653 -0.2,654 -0.04,655 -0.033,656 -0.121,657 -0.097,658 -0.138,659 -0.112,660 0.026,661 -0.04,662 0.001,663 -0.024,664 -0.023,665 -0.015,666 0.775,667 2.036,668 0.789,669 37.263,670 0.98,671 1.126,672 4.808,673 23.122,674 0.655,675 3.784,676 4.078,677 4.407,678 4.727,679 5.024,680 5.165,681 5.247,682 5.352,683 5.421,684 5.371,685 9.283,686 0.602,687 507.79,688 3.784,689 5.313,690 6.176,691 7.055,692 7.941,693 8.834,694 9.728,695 10.628,696 11.527,697 12.429,698 6.3,703 2,708 3,714 4,715 7,716 3,720 6,722 22,734 2,741 79,743 22,744 1,745 43,747 84,748 33,749 17,750 2,751 4,756 6,757 12,767 10,770 14,772 17,773 16,793 41,794 5,795 2,796 5,802 5,808 0.333,822 3,829 4,830 2,833 2,834 2,859 2,868 38,876 16,877 2,901 17.333,902 13.933,903 8.472,904 5.747,907 4.7,908 1.52,909 1.024,910 8.242,911 13.734,912 4.007,913 4.605,914 5.263,915 5.911,916 6.538,917 6.889,918 7.257,919 7.602,920 7.901,921 7.775,922 0.889,923 69,924 14.157,926 6.009,927 0.026,929 7.307,931 28.757,933 24.797,936 1.807,937 68.667,941 459.073,942 132.003,943 86.378,948 132.003,949 459.073,950 86.378,952 39.695,953 56.857,954 98.149,955 35.451,957 447.302,959 459.073,960 218.381,964 413.704,965 47.084,968 56.4,969 73.888,970 86.378,972 459.073,973 86.378,974 132.003,977 459.073,978 66.098,979 65.905,980 36.022,981 50.357,982 459.073,983 86.378,984 132.003,986 0.562,987 0.336,988 0.203,989 0.121,990 28,991 10,992 0.107,993 9,994 4,995 1.267,996 4.998,997 374.179,998 0.267,999 30,1000 199.421,1005 25.41,1006 12.325,1007 5.777,1008 4.498,1009 86.378,1010 14.738,1011 14.537,1015 8.162,1017 36.022,1018 677.454,1019 54,1031 77.414,1032 88.965,1034 0.201,1035 0.488,1036 0.655,1037 0.787,1038 0.839,1039 0.863,1040 5.234,1041 1.637,1042 6.12,1043 3.82,1044 4.762,1045 5.293,1046 0.495,1047 6.936,1048 4.716,1049 6.407,1050 1.631,1051 7.665,1052 3.547,1053 4.111,1054 5.094,1056 7.861,1057 4.041,1058 7.709,1059 1.518,1060 9.325,1061 3.474,1062 6.33,1063 7.56,1064 0.097,1065 11.05,1066 6.238,1067 9.059,1068 1.419,1069 11.059,1070 3.447,1071 6.635,1072 8.307,1074 12.888,1075 6.519,1076 10.453,1077 1.404,1078 12.843,1079 3.412,1080 8.217,1081 10.198,1082 0.016,1083 15.567,1084 8.082,1085 11.878,1086 1.35,1087 14.66,1088 3.218,1089 8.995,1090 11.368,1092 17.753,1093 8.837,1094 13.327,1095 1.342,1096 16.5,1097 3.054,1098 10.316,1099 13.034,1100 0.003,1101 20.268,1102 10.138,1103 3.224,1104 1.135,1105 18.356,1106 2.982,1107 11.315,1108 14.396,1110 22.594,1111 11.114,1112 3.224,1113 11.347,1114 20.223,1115 2.63,1116 12.535,1117 15.972,1119 25.053,1120 12.312,1121 2.524,1122 11.347,1123 22.1,1124 4.563,1125 13.63,1126 17.42,1128 27.436,1129 13.385,1130 2.524,1131 8.363,1132 23.983,1133 4.563,1134 14.814,1135 18.96,1137 29.875,1138 14.546,1139 2.191,1140 8.363,1141 25.873,1142 3.434,1143 15.951,1144 20.445,1146 32.284,1147 15.66,1148 2.182,1149 6.714,1150 27.766,1151 3.434,1152 17.122,1153 21.971,1155 34.716,1156 16.809,1157 1.845,1158 6.714,1159 29.664,1160 2.894,1161 18.277,1162 23.475,1164 37.135,1165 17.941,1166 25234,1167 34284,1168 30.394,1169 51.734,1170 62.437,1171 62.822,1172 63.863,1173 62.449,1174 62.468,1175 79.502,1176 1.6,1177 174.511,1178 61.013,1179 5.601,1180 5.357,1181 6.716,1182 5.256,1183 5.224,1184 7.563,1185 0.8,1186 18.879,1187 5.159,1189 1.452,1190 1.461,1191 1.485,1192 1.452,1193 1.453,1194 1.849,1195 0.037,1196 4.058,1197 1.419,1198 4.128,1199 4.162,1200 4.086,1201 4.048,1202 5.06,1203 4.052,1204 4.076,1205 4.109,1206 4.043,1207 3.99,1208 4.967,1209 3.999,1210 3.752,1211 3.815,1212 3.628,1213 3.662,1214 4.464,1215 3.647,1216 3.742,1217 3.799,1218 3.616,1219 3.631,1220 4.408,1221 3.62,1222 3.736,1223 3.791,1224 3.582,1225 3.613,1226 4.283,1227 3.596,1228 3.52,1229 3.602,1230 3.372,1231 3.344,1232 4.218,1233 3.339,1234 3.369,1235 3.431,1236 3.246,1237 3.246,1238 4.043,1239 3.238,1240 3.299,1241 3.361,1242 3.167,1243 3.175,1244 4.025,1245 3.163,1246 0.108,1247 0.078,1248 0.159,1249 0.098,1250 0.075,1251 4.639,1252 0.106,1253 3.357,1254 0.009,1255 6.829,1256 0.264,1257 4.204,1258 0.073,1259 3.224,1260 4.563,1261 0.4,1262 11.347,1263 3.159,1264 2.053,1265 2.029,1266 2.125,1267 2.14,1268 1.379,1269 2.137,1270 2.018,1271 1.99,1272 2.087,1273 2.132,1274 1.331,1275 2.12,1276 1.758,1277 1.694,1278 2.001,1279 1.925,1280 1.324,1281 1.955,1282 1.705,1283 1.641,1284 1.964,1285 1.866,1286 1.306,1287 1.903,1288 1.703,1289 1.64,1290 1.964,1291 1.864,1292 1.278,1293 1.902,1294 1.616,1295 1.574,1296 1.802,1297 1.746,1298 1.061,1299 1.766,1300 1.585,1301 1.54,1302 1.771,1303 1.719,1304 1.02,1305 1.741,1306 1.476,1307 1.397,1308 1.754,1309 1.684,1310 0.95,1311 1.712,1312 4.466,1314 5.765,1316 7.27,1317 3.367,1318 8.891,1319 5.784,1320 10.58,1328 19.063,1329 7.669,1340 47.589,1341 100.264,1342 242.863,1343 326.05,1344 391.999,1345 417.999,1346 429.999,1347 53.435,1348 9.034,1349 62.73,1350 62.73,1351 38,1352 12.95,1353 4.524,1354 3.585,1355 53.546,1356 225,1357 131,1358 0.114,1359 287.655,1360 490.3,1361 693.638,1362 162891,1364 25.572,1365 0.673,1366 0.597,1367 25.572,1368 22.697,1369 18.882,1370 0.439,1371 0.35,1372 14.944,1373 18.556,1374 14.673,1375 12.153,1376 18.882,1377 15.03,1378 16.038,1379 0.277,1380 0.191,1381 16.038,1382 11.105,1383 14.107,1384 0.174,1385 0.104,1386 14.107,1387 8.414,1388 12.46,1389 0.111,1390 0.057,1391 12.46,1392 6.414,1393 10.899,1394 0.072,1395 0.032,1396 10.899,1397 4.886,1398 0.188,1399 115.472,1400 0.181,1401 35.092,1402 0.292,1403 202,1404 409.601,1405 211.325,1406 412.358,1407 598.96,1408 394,1409 240,1410 467.479,1411 250.491,1412 476.639,1413 708.8,1414 456,1415 8.602}
{0 CHEMBL1083660,1 1.272,2 13.321,3 5.175,4 26.778,5 118.314,6 6.276,7 0.387,8 4.15,9 4.285,10 3.584,11 3.723,12 5.048,13 3.656,14 4.755,15 4.962,16 3.914,17 4.152,18 5.558,19 4.052,20 5.074,21 5.315,22 3.971,23 4.342,24 5.854,25 4.193,26 5.173,27 5.451,28 3.817,29 4.314,30 5.903,31 4.124,32 5.092,33 5.385,34 3.718,35 4.204,36 5.804,37 4.009,38 4.955,39 5.232,40 3.648,41 4.076,42 5.758,43 3.901,44 4.814,45 5.069,46 3.551,47 3.987,48 5.653,49 3.816,50 4.778,51 5.055,52 3.394,53 3.916,54 5.502,55 3.721,56 0.063,57 0.835,58 14.399,59 6.1,60 7.982,61 8.693,62 0.183,63 1.441,64 26.648,65 10.192,66 15.391,67 14.958,68 0.238,69 1.842,70 36.338,71 14.419,72 30.746,73 20.838,74 0.288,75 1.915,76 39.958,77 15.664,78 37.474,79 22.659,80 0.244,81 1.727,82 36.631,83 14.602,84 30.912,85 21.061,86 0.314,87 1.491,88 32.339,89 12.526,90 36.931,91 17.847,92 0.276,93 1.323,94 28.138,95 11.06,96 35.772,97 15.663,98 0.201,99 1.27,100 26.832,101 10.647,102 28.069,103 15.272,104 5,105 42,106 0.208,107 0.488,108 0.722,109 0.835,110 0.842,111 0.842,112 3.374,113 1.047,114 -5.49,115 -5.37,116 -5.01,121 41.7,123 6,124 1,126 1,127 4,144 8,145 3,146 1,159 1,176 16,180 8,187 17,192 9,200 13,206 7,214 10,219 5,227 13,231 1,232 2,239 15,243 1,244 2,251 13,256 3,264 8,269 5,277 6,281 1236,282 19.223,283 19.223,284 19.223,285 19.223,286 19.223,287 17.681,288 23.771,289 11.509,290 19.406,291 15.315,292 15.315,293 15.315,294 15.315,295 15.315,296 12.932,297 28.82,298 5.504,299 15.591,300 4.635,301 2.913,302 1.484,303 0.792,304 0.746,305 0.746,306 4.076,311 1,312 1,313 820,314 3.082,318 364.542,322 139.418,325 2.179,326 15.57,329 0.75,330 1,331 1,332 1,333 1,334 1,335 1,336 0.96,337 58,338 373,339 4.382,340 3.608,341 6.485,342 4.043,343 3.062,344 4.007,345 1.277,346 10.085,347 3.016,348 3.963,349 3.224,350 5.992,351 3.721,352 2.74,353 3.457,354 0.916,355 8.441,356 2.705,357 3.939,358 3.017,359 5.616,360 3.656,361 2.668,362 3.291,363 0.8,364 7.786,365 2.614,366 3.597,367 2.557,368 5.33,369 3.453,370 2.455,371 2.635,372 0.172,373 6.943,374 2.45,375 3.197,376 2.353,377 5.022,378 3.035,379 2.081,380 2.275,382 5.876,383 1.976,384 3.11,385 2.223,386 4.952,387 2.896,388 1.932,389 2.204,391 5.619,392 1.854,393 2.91,394 1.894,395 4.17,396 2.592,397 1.59,398 2.017,400 3.858,401 1.591,402 2.816,403 1.546,404 4.091,405 2.421,406 1.426,407 1.902,409 3.486,410 1.418,411 2.6,412 1.52,413 3.592,414 2.324,415 1.32,416 1.596,418 3.037,419 1.32,420 2.5,421 1.089,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.144,430 1.077,431 3.354,432 1.984,433 1,434 1.092,436 2.136,437 0.983,438 2,439 1,440 3.247,441 1.903,442 0.916,443 1,445 2.105,446 0.903,447 1.753,448 0.964,449 3.106,450 1.578,451 0.554,452 0.625,454 1.296,455 0.563,456 1.216,457 0.373,458 2.773,459 1.032,460 0.047,461 0.053,463 0.118,464 0.046,465 0.972,466 0.041,467 2.452,468 0.76,469 -0.214,470 -0.234,472 -0.496,473 -0.207,474 13.633,475 0.487,476 0.571,477 0.02,478 31.25,479 1.116,480 14,481 0.5,482 17.25,483 0.616,484 27.434,485 0.98,486 30.767,487 0.513,488 20.259,489 0.724,490 5.654,491 0.202,492 8.033,493 0.287,494 0.061,496 0.279,501 0.714,502 1.347,503 0.952,504 1.158,505 0.533,506 1.084,507 1.108,508 1.078,509 1.06,510 1.007,511 0.584,512 1.013,513 1.028,514 1.132,515 1.087,516 1.115,517 0.88,518 1.105,519 1.096,520 1.025,521 1.062,522 1.048,523 1.126,524 1.053,525 0.894,526 0.954,527 0.927,528 0.98,529 1.046,530 0.961,531 1.373,532 0.903,533 0.989,534 0.939,535 1.854,536 0.945,537 1.441,538 1.029,539 1.124,540 1.072,541 1.934,542 1.085,543 1.211,544 1.02,545 1.076,546 1.039,547 1.462,548 1.054,549 5,550 0.132,551 2.889,552 1.313,553 1.4,554 0.681,555 0.424,556 0.297,557 0.176,558 0.142,559 11901,560 22136,561 2.137,562 53.3,563 5,564 19,568 2,569 6,572 1.702,573 2.049,574 3.694,575 -0.884,582 76.317,583 1.272,584 2.994,585 4.423,586 5.115,587 5.161,588 5.161,589 3.146,590 4.379,591 4.779,592 3.878,593 1466,594 8.263,595 20608.4,600 354.413,601 1.198,602 4.76,603 0.161,604 0.006,605 0.069,606 0.031,607 0.041,608 0.022,609 0.015,610 0.011,611 0.008,612 0.007,613 0.372,614 0.5,615 0.88,616 0.444,617 144.577,618 0.056,619 -0.139,620 0.072,621 -0.027,622 0.031,623 0.013,624 -0.097,625 0.071,626 -0.035,627 0.021,628 0.015,629 0.005,630 -0.055,631 -0.093,632 -0.092,633 -0.103,634 0.02,635 -0.1,636 -0.064,637 -0.058,638 -0.08,639 -0.072,640 -0.043,641 -0.076,642 0.031,643 -0.02,644 0.041,645 -0.007,646 -0.018,647 0.015,648 0.033,649 0.036,650 0.013,651 0.032,652 -0.095,653 0.021,654 -0.009,655 -0.062,656 -0.115,657 -0.08,658 -0.112,659 -0.104,660 -0.099,661 -0.072,662 -0.093,663 -0.058,664 -0.142,665 -0.075,666 1.345,667 5.736,668 0.786,669 30.878,670 0.98,671 1.124,672 4.264,673 18.178,674 0.648,675 3.466,676 3.761,677 4.007,678 4.22,679 4.454,680 4.443,681 4.533,682 4.585,683 4.654,684 4.625,685 7.819,686 0.594,687 376.59,688 3.466,689 4.99,690 5.826,691 6.681,692 7.529,693 8.387,694 9.24,695 10.101,696 10.956,697 11.818,698 3.3,701 1,704 1,715 8,720 4,722 12,727 1,736 1,741 60,743 13,744 2,745 31,747 63,748 25,749 12,750 4,751 8,752 1,756 4,757 5,767 4,768 1,770 6,772 13,773 12,774 1,777 1,782 1,786 1,793 32,794 3,796 3,802 2,808 0.75,809 1,829 4,833 1,855 1,859 3,864 1,868 28,876 10,880 1,881 2,893 1.7,896 1,901 13.667,902 10.817,903 6.167,904 3.997,907 2.013,908 1.265,909 0.982,910 6.24,911 9.596,912 3.664,913 4.159,914 4.644,915 5.1,916 5.58,917 5.629,918 5.859,919 5.862,920 5.989,921 5.961,922 0.889,923 42,924 10.456,926 4.407,927 0.026,929 7.417,931 21.06,933 17.988,936 1.917,937 53.667,940 1,941 376.675,942 125.283,943 6.249,945 25.145,948 125.283,949 401.82,950 6.249,951 8.396,952 23.63,953 75.81,954 30.278,955 18.562,957 376.675,959 376.675,960 131.532,961 25.145,964 306.049,965 95.772,968 26.754,969 104.778,972 376.675,973 31.394,974 125.283,977 376.675,978 41.077,979 90.455,981 25.145,982 376.675,983 31.394,984 125.283,986 0.576,987 0.333,988 0.174,989 0.096,990 20,991 8,992 0.095,993 6,994 1,995 1.091,996 4.193,997 231.696,998 0.091,999 22,1000 124.606,1005 19.359,1006 9.026,1007 4.916,1009 31.394,1010 17.055,1015 4.951,1018 533.352,1019 38,1024 12.736,1028 0.322,1031 58.785,1032 67.434,1034 0.215,1035 0.507,1036 0.749,1037 0.866,1038 0.874,1039 0.874,1040 4.898,1041 1.426,1042 5.784,1043 3.858,1044 4.443,1045 4.844,1046 1.906,1047 6.538,1048 4.411,1049 6.044,1050 1.32,1051 7.306,1052 3.486,1053 3.892,1054 4.443,1055 0.57,1056 7.31,1057 3.836,1058 7.31,1059 1,1060 8.925,1061 3.037,1062 5.984,1063 6.865,1064 2.047,1065 10.379,1066 5.919,1067 8.607,1068 1,1069 10.603,1070 2.275,1071 6.256,1072 7.295,1073 0.581,1074 11.989,1075 6.172,1076 9.937,1077 0.916,1078 12.32,1079 2.136,1080 7.786,1081 9.198,1082 2.367,1083 14.553,1084 7.692,1085 11.291,1086 0.554,1087 14.062,1088 2.105,1089 8.456,1090 10.036,1091 0.515,1092 16.527,1093 8.347,1094 12.663,1095 0.047,1096 15.825,1097 1.296,1098 9.738,1099 11.699,1100 2.767,1101 18.913,1102 9.617,1103 3.062,1104 -0.214,1105 17.602,1106 0.118,1107 10.613,1108 12.758,1109 0.441,1110 21.057,1111 10.476,1112 2.74,1113 10.085,1114 19.391,1115 -0.496,1116 11.782,1117 14.295,1118 3.207,1119 23.379,1120 11.632,1121 2.668,1122 8.441,1123 21.19,1124 4.007,1125 12.762,1126 15.482,1127 0.373,1128 25.603,1129 12.597,1130 2.455,1131 7.786,1132 22.998,1133 3.457,1134 13.883,1135 16.949,1136 3.669,1137 27.906,1138 13.703,1139 2.081,1140 6.943,1141 24.812,1142 3.291,1143 14.918,1144 18.212,1145 0.314,1146 30.17,1147 14.723,1148 1.932,1149 5.876,1150 26.632,1151 2.635,1152 16.02,1153 19.64,1154 4.143,1155 32.469,1156 15.81,1157 1.59,1158 5.619,1159 28.458,1160 2.275,1161 17.084,1162 20.95,1163 0.264,1164 34.753,1165 16.859,1166 11069,1167 15180,1168 21.266,1169 38.887,1170 45.953,1171 46.714,1172 46.414,1173 45.639,1174 45.583,1175 55.306,1176 6.333,1177 126.119,1178 44.881,1179 5.382,1180 5.608,1181 6.287,1182 5.081,1183 5.062,1184 7.007,1185 2.555,1186 16.86,1187 5.016,1188 9.785,1189 1.482,1190 1.507,1191 1.497,1192 1.472,1193 1.47,1194 1.784,1195 0.204,1196 4.068,1197 1.448,1198 4.034,1199 4.07,1200 3.969,1201 3.953,1202 7.427,1203 3.952,1204 3.943,1205 3.987,1206 3.86,1207 3.862,1208 4.761,1209 3.856,1210 3.826,1211 3.873,1212 3.712,1213 3.725,1214 4.709,1215 3.714,1216 3.626,1217 3.676,1218 3.52,1219 3.474,1220 4.318,1221 3.475,1222 3.417,1223 3.487,1224 3.266,1225 3.264,1226 4.144,1227 3.255,1228 3.242,1229 3.337,1230 3.065,1231 3.05,1232 3.894,1233 3.044,1234 3.184,1235 3.248,1236 3.028,1237 3.01,1238 3.838,1239 3.002,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.674,1245 2.91,1246 0.141,1247 0.116,1248 0.209,1249 0.13,1250 0.099,1251 4.382,1252 0.129,1253 3.608,1254 0.041,1255 6.485,1256 0.325,1257 4.043,1258 0.097,1259 3.062,1260 4.007,1261 1.277,1262 10.085,1263 3.016,1264 1.99,1265 1.962,1266 2.117,1267 2.097,1268 1.485,1269 2.105,1270 1.932,1271 1.895,1272 2.086,1273 2.06,1274 1.364,1275 2.073,1276 1.838,1277 1.79,1278 2.013,1279 1.953,1280 1.169,1281 1.975,1282 1.603,1283 1.551,1284 1.813,1285 1.784,1286 1.051,1287 1.794,1288 1.42,1289 1.353,1290 1.676,1291 1.605,1292 0.914,1293 1.633,1294 1.244,1295 1.153,1296 1.594,1297 1.498,1298 0.825,1299 1.537,1300 1.177,1301 1.111,1302 1.513,1303 1.382,1304 0.716,1305 1.429,1306 1.153,1307 1.064,1308 1.451,1309 1.376,1310 0.681,1311 1.407,1312 4.143,1314 5.442,1316 6.942,1318 8.528,1320 10.157,1322 2.143,1328 10.914,1332 0.694,1333 4.851,1340 35.66,1341 76.317,1342 179.619,1343 265.394,1344 306.904,1345 309.659,1346 309.659,1347 44.186,1348 7.583,1349 23.55,1350 23.55,1351 24,1352 12.369,1353 3.807,1354 3,1355 42.881,1356 134,1357 122,1358 0.154,1359 218.098,1360 382.13,1361 523.92,1362 23327,1364 19.347,1365 0.691,1366 0.61,1367 19.347,1368 17.07,1369 13.687,1370 0.442,1371 0.349,1372 10.745,1373 13.409,1374 10.449,1375 8.656,1376 13.687,1377 10.824,1378 12.086,1379 0.288,1380 0.203,1381 12.086,1382 8.536,1383 10.24,1384 0.19,1385 0.12,1386 10.24,1387 6.488,1388 8.222,1389 0.123,1390 0.07,1391 8.222,1392 4.713,1393 6.777,1394 0.08,1395 0.041,1396 6.777,1397 3.491,1398 0.252,1399 83.969,1400 0.217,1401 27.552,1402 0.395,1403 146,1404 307.026,1405 152.267,1406 305.097,1407 422.54,1408 288,1409 169,1410 308.214,1411 176.322,1412 318.591,1413 461.85,1414 300,1415 7.62}
{0 CHEMBL1083661,1 1.285,2 13.185,3 4.821,4 23.244,5 114.079,6 6.361,7 0.4,8 4.103,9 4.238,10 3.547,11 3.685,12 5.009,13 3.62,14 4.702,15 4.899,16 3.871,17 4.114,18 5.525,19 4.011,20 5.036,21 5.285,22 3.904,23 4.28,24 5.818,25 4.128,26 5.089,27 5.369,28 3.73,29 4.218,30 5.826,31 4.029,32 4.984,33 5.274,34 3.667,35 4.105,36 5.708,37 3.924,38 4.854,39 5.113,40 3.615,41 4.015,42 5.711,43 3.852,44 4.789,45 5.049,46 3.48,47 3.949,48 5.611,49 3.77,50 4.719,51 5.007,52 3.337,53 3.86,54 5.384,55 3.659,56 0.062,57 0.793,58 13.547,59 5.776,60 7.145,61 8.184,62 0.157,63 1.366,64 24.994,65 9.873,66 14.51,67 14.311,68 0.236,69 1.76,70 34.956,71 13.747,72 31.237,73 19.877,74 0.277,75 1.76,76 36.931,77 14.299,78 36.256,79 20.683,80 0.228,81 1.558,82 33.07,83 13.06,84 27.767,85 18.811,86 0.296,87 1.374,88 29.43,89 11.397,90 37.522,91 16.119,92 0.282,93 1.287,94 27.512,95 10.77,96 35.619,97 15.24,98 0.162,99 1.209,100 25.19,101 10.183,102 21.536,103 14.723,104 2,105 40,106 0.212,107 0.508,108 0.718,109 0.838,110 0.846,111 0.846,112 3.339,113 1.044,114 -5.29,115 -5.17,116 -4.84,121 42.1,123 6,124 1,127 4,144 8,145 3,146 1,159 1,176 16,180 5,185 3,187 17,192 6,197 3,200 13,206 6,211 1,214 10,219 5,227 13,232 1,235 1,237 1,239 15,243 1,244 1,249 1,251 13,256 2,261 1,264 8,269 3,274 2,277 6,281 1130,282 18.723,283 18.723,284 18.723,285 18.723,286 18.723,287 17.156,288 23.58,289 11.351,290 18.863,291 14.848,292 14.848,293 14.848,294 14.848,295 14.848,296 12.444,297 29.48,298 5.456,299 15.056,300 4.548,301 2.754,302 1.478,303 0.75,304 0.702,305 0.702,306 4.044,311 1,312 1,313 787,314 3,318 351.269,322 134.967,325 2.118,326 16.077,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 56,338 356,339 4.334,340 3.606,341 6.25,342 3.975,343 2.976,344 3.975,345 1.277,346 9.417,347 2.978,348 3.942,349 3.046,350 5.899,351 3.698,352 2.73,353 3.457,354 0.916,355 8.157,356 2.659,357 3.898,358 3.017,359 5.616,360 3.603,361 2.598,362 3.239,363 0.4,364 7.783,365 2.592,366 3.595,367 2.557,368 5.329,369 3.446,370 2.446,371 2.634,372 0.172,373 6.937,374 2.444,375 3.178,376 2.225,377 4.955,378 3.027,379 2.072,380 2.25,382 5.867,383 1.968,384 2.924,385 1.978,386 4.448,387 2.606,388 1.618,389 2.063,391 4.433,392 1.6,393 2.885,394 1.855,395 4.167,396 2.549,397 1.554,398 1.974,400 3.791,401 1.538,402 2.805,403 1.52,404 3.608,405 2.414,406 1.42,407 1.863,409 3.042,410 1.41,411 2.5,412 1.479,413 3.591,414 2.294,415 1.298,416 1.5,418 2.934,419 1.289,420 2.451,421 1.089,422 3.414,423 2,424 1,425 1.444,427 2.275,428 1,429 2,430 1.077,431 3.247,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.884,439 1,440 3.188,441 1.686,442 0.701,443 0.805,445 1.618,446 0.688,447 1.743,448 0.787,449 3.07,450 1.537,451 0.523,452 0.599,454 1.225,455 0.527,456 1.216,457 0.372,458 2.766,459 1.031,460 0.046,461 0.051,463 0.114,464 0.045,465 0.868,466 -0.059,467 2.393,468 0.539,469 -0.448,470 -0.517,472 -1.08,473 -0.441,474 13.133,475 0.486,476 0.482,477 0.018,478 30.5,479 1.13,480 14,481 0.519,482 16.5,483 0.611,484 25.444,485 0.942,486 29.467,487 0.517,488 19.16,489 0.71,490 5.489,491 0.203,492 7.787,493 0.288,494 0.025,496 0.259,501 0.745,502 1.253,503 0.945,504 1.103,505 0.536,506 1.045,507 0.981,508 1.154,509 1.075,510 1.088,511 0.591,512 1.079,513 1.014,514 1.106,515 1.064,516 1.09,517 0.874,518 1.08,519 1.128,520 1.008,521 1.052,522 1.028,523 1.159,524 1.035,525 0.931,526 0.911,527 0.886,528 0.93,529 1.063,530 0.91,531 1.467,532 0.971,533 1.069,534 1.013,535 1.93,536 1.021,537 1.454,538 1,539 1.141,540 1.05,541 1.947,542 1.081,543 0.764,544 1,545 0.974,546 1.019,547 0.827,548 1.016,549 4.5,550 0.099,551 2.444,552 0.875,553 1.249,554 0.618,555 0.343,556 0.266,557 0.176,558 0.102,559 10960,560 20855,561 2.165,562 52.6,563 5,564 16,567 1,568 2,569 6,572 1.692,573 2.104,574 3.68,575 -0.455,582 73.229,583 1.285,584 3.079,585 4.355,586 5.083,587 5.131,588 5.131,589 3.134,590 4.385,591 4.727,592 3.848,593 1350.54,594 8.158,595 18485.1,597 1,600 332.475,601 1.038,602 4.719,603 0.15,604 0.005,605 0.061,606 0.022,607 0.04,608 0.021,609 0.012,610 0.011,611 0.008,612 0.005,613 0.336,614 0.5,615 1,616 0.352,617 137.806,618 0.016,619 -0.055,620 0.062,621 0.014,622 0.028,623 0.035,624 -0.074,625 -0.021,626 -0.071,627 -0.051,628 0.011,629 -0.057,630 -0.048,631 -0.086,632 -0.077,633 -0.091,634 0.022,635 -0.086,636 -0.065,637 -0.048,638 -0.069,639 -0.06,640 -0.049,641 -0.064,642 0.037,643 0.022,644 0.087,645 0.041,646 -0.004,647 0.065,648 0.003,649 -0.014,650 -0.059,651 -0.032,652 -0.097,653 -0.049,654 -0.048,655 -0.047,656 -0.138,657 -0.065,658 -0.177,659 -0.106,660 -0.006,661 -0.061,662 -0.016,663 -0.037,664 -0.05,665 -0.03,666 1.352,667 5.648,668 0.815,669 28.936,670 0.981,671 1.123,672 4.056,673 16.451,674 0.651,675 3.434,676 3.714,677 3.951,678 4.159,679 4.407,680 4.357,681 4.443,682 4.522,683 4.585,684 4.533,685 7.646,686 0.599,687 362.56,688 3.434,689 4.949,690 5.778,691 6.624,692 7.466,693 8.315,694 9.161,695 10.012,696 10.861,697 11.713,698 3.5,701 1,703 1,715 8,720 4,722 12,727 1,734 1,741 57,743 13,744 2,745 30,747 60,748 24,749 12,750 4,751 8,752 1,756 4,757 5,767 4,768 1,770 6,772 13,773 11,774 1,777 1,782 1,786 1,793 30,794 3,795 1,796 3,802 2,808 0.75,809 1,829 4,833 1,855 1,859 3,868 27,876 10,877 1,880 1,881 1,893 1.8,896 1,901 12.833,902 9.867,903 5.972,904 3.835,907 2.006,908 1.268,909 0.992,910 6.011,911 9.488,912 3.638,913 4.127,914 4.605,915 5.056,916 5.545,917 5.549,918 5.738,919 5.793,920 5.907,921 5.842,922 0.889,923 39,924 10.082,926 4.269,927 0.026,929 7.432,931 20.278,933 17.369,936 1.932,937 52.167,939 1,940 1,941 341.362,942 116.887,943 21.135,945 25.145,948 116.887,949 366.507,950 21.135,952 23.63,953 75.81,954 48.289,955 15.438,957 341.362,959 341.362,960 138.022,961 25.145,964 270.735,965 95.772,968 26.754,969 93.257,970 18.011,972 341.362,973 46.28,974 116.887,977 341.362,978 41.077,979 78.934,980 18.011,981 25.145,982 341.362,983 46.28,984 116.887,986 0.571,987 0.327,988 0.172,989 0.098,990 19,991 7,992 0.1,993 6,994 1,995 1.091,996 4.155,997 218.971,998 0.091,999 22,1000 120.382,1005 18.404,1006 8.818,1007 4.855,1009 46.28,1010 16.927,1015 4.817,1017 18.011,1018 504.529,1019 37,1024 12.648,1028 0.315,1031 55.901,1032 64.019,1034 0.22,1035 0.528,1036 0.747,1037 0.871,1038 0.88,1039 0.88,1040 4.86,1041 1.42,1042 5.72,1043 3.791,1044 4.394,1045 4.812,1046 1.806,1047 6.45,1048 4.37,1049 5.998,1050 1.298,1051 7.223,1052 3.042,1053 3.761,1054 4.369,1055 0.325,1056 7.154,1057 3.737,1058 7.258,1059 1,1060 8.822,1061 2.934,1062 5.911,1063 6.831,1064 1.993,1065 10.213,1066 5.866,1067 8.547,1068 1,1069 10.48,1070 2.275,1071 6.111,1072 7.231,1073 0.393,1074 11.75,1075 6.075,1076 9.871,1077 0.701,1078 12.174,1079 2.136,1080 7.679,1081 9.157,1082 2.342,1083 14.28,1084 7.622,1085 11.218,1086 0.523,1087 13.894,1088 1.618,1089 8.288,1090 9.968,1091 0.384,1092 16.172,1093 8.241,1094 12.583,1095 0.046,1096 15.632,1097 1.225,1098 9.587,1099 11.645,1100 2.756,1101 18.506,1102 9.523,1103 2.976,1104 -0.448,1105 17.384,1106 0.114,1107 10.41,1108 12.681,1109 0.351,1110 20.564,1111 10.354,1112 2.73,1113 9.417,1114 19.146,1115 -1.08,1116 11.579,1117 14.226,1118 3.203,1119 22.822,1120 11.512,1121 2.598,1122 8.157,1123 20.915,1124 3.975,1125 12.515,1126 15.393,1127 0.312,1128 24.962,1129 12.454,1130 2.446,1131 7.783,1132 22.692,1133 3.457,1134 13.623,1135 16.862,1136 3.667,1137 27.193,1138 13.555,1139 2.072,1140 6.937,1141 24.473,1142 3.239,1143 14.619,1144 18.109,1145 0.273,1146 29.375,1147 14.556,1148 1.618,1149 5.867,1150 26.259,1151 2.634,1152 15.701,1153 19.536,1154 4.143,1155 31.599,1156 15.634,1157 1.554,1158 4.433,1159 28.05,1160 2.25,1161 16.731,1162 20.832,1163 0.236,1164 33.804,1165 16.667,1166 10131,1167 14058,1168 20.86,1169 37.126,1170 44.212,1171 45.204,1172 44.428,1173 43.979,1174 43.966,1175 53.706,1176 5.533,1177 119.46,1178 43.442,1179 5.334,1180 5.606,1181 6.052,1182 5.013,1183 4.976,1184 6.975,1185 2.555,1186 15.798,1187 4.978,1188 6.519,1189 1.474,1190 1.507,1191 1.481,1192 1.466,1193 1.466,1194 1.79,1195 0.184,1196 3.982,1197 1.448,1198 4.026,1199 4.062,1200 3.96,1201 3.947,1202 7.427,1203 3.945,1204 3.941,1205 3.985,1206 3.859,1207 3.862,1208 4.762,1209 3.856,1210 3.825,1211 3.872,1212 3.711,1213 3.724,1214 4.725,1215 3.713,1216 3.61,1217 3.661,1218 3.501,1219 3.46,1220 4.318,1221 3.46,1222 3.411,1223 3.481,1224 3.256,1225 3.262,1226 4.119,1227 3.251,1228 3.192,1229 3.254,1230 3.058,1231 3.036,1232 3.893,1233 3.031,1234 3.111,1235 3.206,1236 2.881,1237 2.941,1238 3.766,1239 2.91,1240 3.049,1241 3.14,1242 2.866,1243 2.869,1244 3.674,1245 2.861,1246 0.144,1247 0.12,1248 0.208,1249 0.133,1250 0.099,1251 4.334,1252 0.132,1253 3.606,1254 0.043,1255 6.25,1256 0.314,1257 3.975,1258 0.099,1259 2.976,1260 3.975,1261 1.277,1262 9.417,1263 2.978,1264 1.984,1265 1.956,1266 2.114,1267 2.091,1268 1.485,1269 2.1,1270 1.932,1271 1.895,1272 2.082,1273 2.057,1274 1.345,1275 2.069,1276 1.837,1277 1.789,1278 2.012,1279 1.952,1280 1.168,1281 1.975,1282 1.59,1283 1.539,1284 1.807,1285 1.772,1286 1.05,1287 1.784,1288 1.418,1289 1.351,1290 1.675,1291 1.6,1292 0.913,1293 1.63,1294 1.183,1295 1.121,1296 1.513,1297 1.385,1298 0.825,1299 1.429,1300 1.153,1301 1.064,1302 1.452,1303 1.376,1304 0.681,1305 1.41,1306 1.042,1307 0.963,1308 1.35,1309 1.29,1310 0.55,1311 1.317,1312 4.111,1314 5.398,1316 6.887,1318 8.459,1320 10.072,1328 10.802,1329 3.418,1332 0.695,1333 2.546,1340 34.133,1341 73.229,1342 175.481,1343 248.21,1344 289.72,1345 292.475,1346 292.475,1347 41.78,1348 7.482,1349 32.34,1350 32.34,1351 24,1352 12.27,1353 3.807,1354 3,1355 40.629,1356 126,1357 113,1358 0.155,1359 208.506,1360 364.83,1361 500.515,1362 20700,1364 18.476,1365 0.684,1366 0.597,1367 18.476,1368 16.123,1369 13.276,1370 0.443,1371 0.348,1372 10.375,1373 13.035,1374 10.147,1375 8.383,1376 13.276,1377 10.44,1378 11.559,1379 0.289,1380 0.202,1381 11.559,1382 8.069,1383 9.773,1384 0.192,1385 0.12,1386 9.773,1387 6.101,1388 7.811,1389 0.124,1390 0.07,1391 7.811,1392 4.403,1393 6.629,1394 0.082,1395 0.041,1396 6.629,1397 3.348,1398 0.253,1399 81.3,1400 0.219,1401 26.766,1402 0.396,1403 140,1404 295.714,1405 145.906,1406 294.232,1407 407.4,1408 278,1409 161,1410 296.439,1411 167.49,1412 305.106,1413 442.59,1414 289,1415 7.229}
{0 CHEMBL1083662,1 1.257,2 15.394,3 6.769,4 45.813,5 137.268,6 6.547,7 0.486,8 4.267,9 4.395,10 3.742,11 3.874,12 5.202,13 3.812,14 4.852,15 5.04,16 4.077,17 4.297,18 5.701,19 4.202,20 5.185,21 5.424,22 4.142,23 4.474,24 5.982,25 4.337,26 5.256,27 5.519,28 4.046,29 4.467,30 6.019,31 4.302,32 5.223,33 5.491,34 4.028,35 4.442,36 5.986,37 4.276,38 5.173,39 5.429,40 3.944,41 4.381,42 6.003,43 4.211,44 5.089,45 5.358,46 3.774,47 4.255,48 5.884,49 4.07,50 4.942,51 5.223,52 3.634,53 4.098,54 5.683,55 3.913,56 0.066,57 0.905,58 15.391,59 6.733,60 9.01,61 9.425,62 0.174,63 1.587,64 28.462,65 11.428,66 17.452,67 16.35,68 0.271,69 2.1,70 40.389,71 16.055,72 34.58,73 22.979,74 0.31,75 2.182,76 43.671,77 17.42,78 40.07,79 24.843,80 0.261,81 2.082,82 42.026,83 17.419,84 34.565,85 24.712,86 0.337,87 1.956,88 40.216,89 16.505,90 44.745,91 23.127,92 0.317,93 1.779,94 37.078,95 15.155,96 42.906,97 21.311,98 0.2,99 1.543,100 31.807,101 13.098,102 31.722,103 18.613,104 2,105 50,106 0.198,107 0.469,108 0.665,109 0.806,110 0.839,111 0.844,112 3.531,113 1.014,114 -6.53,115 -6.35,116 -5.89,121 44.8,123 6,124 1,127 4,144 13,145 3,146 2,159 1,176 20,180 10,187 21,192 11,200 15,206 8,214 16,219 5,227 25,231 1,232 2,239 26,243 1,244 2,251 18,256 5,264 11,269 7,277 10,281 2033,282 22.999,283 22.999,284 22.999,285 22.999,286 22.999,287 20.73,288 26.934,289 13.911,290 23.177,291 18.319,292 18.319,293 18.319,294 18.319,295 18.319,296 14.94,297 34.856,298 6.668,299 18.611,300 4.809,301 3.093,302 1.849,303 0.959,304 0.746,305 0.716,306 4.246,312 1,313 1133,314 3.162,318 531.936,322 160.328,325 2.466,326 17.248,329 0.75,330 0.83,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.78,337 68,338 508,339 4.434,340 3.609,341 6.7,342 4.115,343 3.149,344 4.039,345 1.277,346 10.872,347 3.055,348 4.082,349 3.352,350 6.061,351 3.783,352 2.782,353 3.549,354 0.916,355 8.732,356 2.776,357 3.941,358 3.017,359 5.696,360 3.679,361 2.713,362 3.457,363 0.8,364 7.79,365 2.625,366 3.786,367 2.673,368 5.615,369 3.474,370 2.477,371 3.199,372 0.172,373 7.524,374 2.468,375 3.594,376 2.556,377 5.328,378 3.385,379 2.385,380 2.635,382 6.933,383 2.38,384 3.188,385 2.225,386 4.955,387 3.027,388 2.071,389 2.318,391 5.867,392 1.969,393 3.113,394 1.988,395 4.684,396 2.765,397 1.784,398 2.238,400 4.809,401 1.746,402 2.912,403 1.881,404 4.169,405 2.592,406 1.59,407 2.032,409 3.846,410 1.591,411 2.825,412 1.556,413 4.073,414 2.424,415 1.428,416 1.932,418 3.487,419 1.422,420 2.76,421 1.52,422 3.592,423 2.349,424 1.343,425 1.814,427 3.038,428 1.347,429 2.5,430 1.296,431 3.541,432 2.227,433 1.237,434 1.5,436 2.793,437 1.224,438 2.5,439 1.089,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.461,448 1.077,449 3.315,450 2,451 1,452 1.452,454 2.136,455 1,456 2.025,457 1,458 3.247,459 1.984,460 1,461 1,463 2.136,464 0.983,465 2,466 1,467 3.247,468 1.751,469 0.766,470 0.933,472 1.857,473 0.754,474 16.133,475 0.489,476 0.585,477 0.018,478 40.25,479 1.22,480 20,481 0.606,482 20.25,483 0.614,484 31.487,485 0.954,486 34.867,487 0.52,488 27.876,489 0.845,490 7.433,491 0.225,492 8.826,493 0.267,494 0.021,496 0.267,501 0.707,502 1.235,503 0.903,504 1.07,505 0.533,506 1.009,507 1.042,508 1.163,509 1.052,510 1.062,511 0.604,512 1.049,513 1.127,514 1.088,515 1.05,516 1.04,517 0.883,518 1.036,519 1.201,520 0.997,521 1.052,522 1.002,523 1.144,524 1.014,525 0.922,526 0.94,527 0.942,528 0.969,529 1.023,530 0.959,531 1.275,532 0.995,533 1.075,534 1.046,535 1.701,536 1.055,537 1.236,538 0.976,539 1.059,540 1.024,541 1.654,542 1.037,543 0.931,544 0.979,545 0.946,546 0.996,547 1.051,548 0.979,549 5,550 0.165,551 3.111,552 1.5,553 1.511,554 0.792,555 0.543,556 0.439,557 0.238,558 0.147,559 19137,560 36923,561 2.187,562 50.7,563 5,564 21,568 2,569 6,572 1.745,573 2.129,574 3.883,575 -0.901,582 84.248,583 1.257,584 2.973,585 4.217,586 5.107,587 5.32,588 5.35,589 3.377,590 4.476,591 5.013,592 4.063,593 2145.49,594 8.741,595 34124.2,600 406.428,601 1.027,602 5.01,603 0.135,604 0.006,605 0.062,606 0.029,607 0.034,608 0.018,609 0.014,610 0.013,611 0.008,612 0.005,613 0.324,614 0.5,615 0.75,616 0.306,617 179.697,618 0.055,619 -0.101,620 0.072,621 -0.008,622 0.037,623 0.024,624 -0.06,625 -0.051,626 -0.06,627 -0.059,628 0.01,629 -0.058,630 -0.056,631 -0.055,632 -0.057,633 -0.058,634 0.02,635 -0.057,636 -0.081,637 -0.007,638 -0.058,639 -0.027,640 -0.046,641 -0.038,642 0.011,643 0.023,644 0.038,645 0.021,646 -0.013,647 0.031,649 -0.037,650 -0.079,651 -0.056,652 -0.121,653 -0.072,654 0.011,655 -0.033,656 -0.064,657 -0.04,658 -0.109,659 -0.057,660 0.031,661 -0.038,662 0.034,663 -0.013,664 0.03,665 0.007,666 1.36,667 6.006,668 0.848,669 42.455,670 0.98,671 1.117,672 5.297,673 28.053,674 0.666,675 3.638,676 3.932,677 4.205,678 4.454,679 4.718,680 4.727,681 4.89,682 5.011,683 5.094,684 5.112,685 8.783,686 0.615,687 438.66,688 3.638,689 5.165,690 6.009,691 6.87,692 7.729,693 8.596,694 9.462,695 10.333,696 11.203,697 12.077,698 3,701 1,706 1,715 13,720 5,722 18,727 1,736 1,741 67,743 19,744 3,745 37,747 71,748 30,749 18,750 5,751 13,752 1,756 5,757 6,767 4,768 1,770 6,772 19,773 11,774 1,777 1,782 1,786 1,793 34,794 3,796 3,802 2,808 0.8,809 1,829 5,833 1,855 1,859 4,868 33,876 10,880 1,881 2,893 1.5,896 1,901 15.5,902 11.733,903 7.278,904 4.458,907 2.954,908 1.357,909 1.005,910 6.998,911 11.218,912 3.871,913 4.388,914 4.903,915 5.403,916 5.922,917 5.992,918 6.353,919 6.635,920 6.901,921 7.101,922 1,923 51,924 12.299,926 5.227,927 0.026,929 7.419,931 24.663,933 21.131,936 1.919,937 63.333,941 400.217,942 167.025,943 6.249,945 25.145,948 167.025,949 425.362,950 6.249,952 23.63,953 123.191,954 30.278,955 21.319,957 400.217,959 400.217,960 173.274,961 25.145,964 329.591,965 95.772,968 29.879,969 143.395,972 400.217,973 31.394,974 167.025,977 400.217,978 43.834,979 129.44,981 25.145,982 400.217,983 31.394,984 167.025,986 0.572,987 0.333,988 0.182,989 0.103,990 24,991 9,992 0.099,993 7,994 1,995 1.071,996 4.661,997 298.203,998 0.071,999 28,1000 154.465,1005 22.072,1006 10.462,1007 5.433,1009 31.394,1010 27.681,1015 6.089,1018 598.636,1019 47,1024 13.006,1028 0.307,1031 65.669,1032 74.849,1034 0.207,1035 0.49,1036 0.695,1037 0.842,1038 0.877,1039 0.882,1040 5.097,1041 1.59,1042 5.958,1043 4.809,1044 4.615,1045 5.075,1046 1.906,1047 6.725,1048 4.584,1049 6.248,1050 1.428,1051 7.482,1052 3.846,1053 4.007,1054 4.59,1055 0.57,1056 7.526,1057 3.946,1058 7.514,1059 1.343,1060 9.106,1061 3.487,1062 6.159,1063 7.12,1064 2.047,1065 10.633,1066 6.088,1067 8.812,1068 1.237,1069 10.794,1070 3.038,1071 6.415,1072 7.478,1073 0.581,1074 12.318,1075 6.31,1076 10.145,1077 1,1078 12.525,1079 2.793,1080 7.978,1081 9.456,1082 2.367,1083 14.923,1084 7.862,1085 11.502,1086 1,1087 14.285,1088 2.275,1089 8.655,1090 10.234,1091 0.515,1092 16.986,1093 8.504,1094 12.879,1095 1,1096 16.068,1097 2.136,1098 9.958,1099 11.948,1100 2.767,1101 19.428,1102 9.791,1103 3.149,1104 0.766,1105 17.868,1106 2.136,1107 10.852,1108 12.962,1109 0.441,1110 21.663,1111 10.649,1112 2.782,1113 10.872,1114 19.681,1115 1.857,1116 12.04,1117 14.531,1118 3.207,1119 24.054,1120 11.817,1121 2.713,1122 8.732,1123 21.506,1124 4.039,1125 13.046,1126 15.686,1127 0.373,1128 26.367,1129 12.787,1130 2.477,1131 7.79,1132 23.341,1133 3.549,1134 14.187,1135 17.173,1136 3.669,1137 28.745,1138 13.903,1139 2.385,1140 7.524,1141 25.183,1142 3.457,1143 15.251,1144 18.415,1145 0.314,1146 31.095,1147 14.931,1148 2.071,1149 6.933,1150 27.033,1151 3.199,1152 16.376,1153 19.855,1154 4.143,1155 33.472,1156 16.028,1157 1.784,1158 5.867,1159 28.888,1160 2.635,1161 17.47,1162 21.152,1163 0.264,1164 35.839,1165 17.087,1166 17496,1167 24416,1168 25.83,1169 44.648,1170 55.095,1171 55.788,1172 55.135,1173 54.674,1174 54.631,1175 68.533,1176 6.333,1177 150.975,1178 53.87,1179 5.434,1180 5.609,1181 6.501,1182 5.153,1183 5.149,1184 7.039,1185 2.555,1186 18.062,1187 5.055,1188 7.437,1189 1.489,1190 1.508,1191 1.49,1192 1.478,1193 1.477,1194 1.852,1195 0.171,1196 4.08,1197 1.456,1198 4.058,1199 4.093,1200 3.998,1201 3.977,1202 7.427,1203 3.978,1204 3.947,1205 3.993,1206 3.862,1207 3.863,1208 4.809,1209 3.858,1210 3.855,1211 3.889,1212 3.782,1213 3.789,1214 4.751,1215 3.783,1216 3.813,1217 3.854,1218 3.704,1219 3.721,1220 4.641,1221 3.71,1222 3.594,1223 3.645,1224 3.484,1225 3.451,1226 4.318,1227 3.45,1228 3.409,1229 3.479,1230 3.255,1231 3.262,1232 4.055,1233 3.251,1234 3.192,1235 3.253,1236 3.059,1237 3.036,1238 3.893,1239 3.032,1240 3.111,1241 3.206,1242 2.937,1243 2.941,1244 3.765,1245 2.91,1246 0.12,1247 0.098,1248 0.181,1249 0.111,1250 0.085,1251 4.434,1252 0.109,1253 3.609,1254 0.035,1255 6.7,1256 0.294,1257 4.115,1258 0.083,1259 3.149,1260 4.039,1261 1.277,1262 10.872,1263 3.055,1264 2.007,1265 1.979,1266 2.122,1267 2.11,1268 1.485,1269 2.115,1270 1.934,1271 1.896,1272 2.093,1273 2.064,1274 1.369,1275 2.078,1276 1.862,1277 1.83,1278 2.015,1279 1.96,1280 1.169,1281 1.98,1282 1.825,1283 1.781,1284 1.972,1285 1.922,1286 1.062,1287 1.941,1288 1.581,1289 1.53,1290 1.801,1291 1.756,1292 1.037,1293 1.772,1294 1.417,1295 1.351,1296 1.674,1297 1.599,1298 0.913,1299 1.629,1300 1.182,1301 1.122,1302 1.513,1303 1.384,1304 0.825,1305 1.429,1306 1.153,1307 1.064,1308 1.452,1309 1.376,1310 0.681,1311 1.409,1312 4.317,1314 5.617,1316 7.122,1318 8.716,1320 10.355,1328 10.641,1332 0.673,1333 4.936,1340 41.186,1341 84.248,1342 199.223,1343 282.548,1344 342.163,1345 356.428,1346 358.428,1347 50.087,1348 8.264,1349 23.55,1350 23.55,1351 30,1352 12.618,1353 4.322,1354 3.459,1355 48.293,1356 175,1357 175,1358 0.131,1359 249.885,1360 437.45,1361 601.478,1362 55327,1364 22.46,1365 0.681,1366 0.59,1367 22.46,1368 19.457,1369 16.259,1370 0.439,1371 0.338,1372 12.44,1373 15.994,1374 12.159,1375 10.048,1376 16.259,1377 12.511,1378 14.171,1379 0.283,1380 0.192,1381 14.171,1382 9.601,1383 12.192,1384 0.185,1385 0.111,1386 12.192,1387 7.324,1388 10.098,1389 0.119,1390 0.064,1391 10.098,1392 5.401,1393 8.633,1394 0.078,1395 0.037,1396 8.633,1397 4.106,1398 0.215,1399 99.282,1400 0.197,1401 31.576,1402 0.335,1403 174,1404 367.026,1405 180.933,1406 367.563,1407 516.07,1408 348,1409 203,1410 384.27,1411 210.988,1412 395.2,1413 576.57,1414 375,1415 7.268}
{0 CHEMBL1083677,1 1.243,2 10.833,3 5.147,4 26.495,5 99.674,6 6.52,7 0.444,8 3.958,9 4.082,10 3.432,11 3.579,12 4.883,13 3.514,14 4.555,15 4.736,16 3.78,17 4.019,18 5.388,19 3.92,20 4.916,21 5.156,22 3.856,23 4.199,24 5.707,25 4.059,26 4.976,27 5.231,28 3.715,29 4.163,30 5.78,31 3.991,32 4.941,33 5.219,34 3.58,35 4.079,36 5.694,37 3.889,38 4.83,39 5.112,40 3.406,41 3.945,42 5.556,43 3.742,44 4.655,45 4.949,46 3.245,47 3.755,48 5.371,49 3.554,50 4.391,51 4.67,52 3.146,53 3.595,54 5.085,55 3.416,56 0.045,57 0.647,58 11.265,59 5.07,60 6.404,61 7.027,62 0.114,63 1.153,64 21.024,65 8.854,66 12.618,67 12.49,68 0.198,69 1.57,70 30.8,71 12.56,72 23.378,73 17.78,74 0.24,75 1.601,76 33.002,77 13.423,78 36.657,79 18.77,80 0.236,81 1.523,82 31.945,83 12.986,84 35.28,85 18.261,86 0.208,87 1.357,88 28.571,89 11.641,90 29.944,91 16.398,92 0.234,93 1.145,94 24.072,95 9.55,96 28.44,97 13.641,98 0.101,99 0.907,100 18.079,101 7.526,102 14.125,103 10.821,104 2,105 37,106 0.211,107 0.5,108 0.676,109 0.803,110 0.837,111 0.837,112 3.228,113 1.026,114 -5.7,115 -5.56,116 -5.19,121 44.9,123 5,124 2,127 2,144 9,145 2,146 1,159 1,176 17,180 6,187 20,192 7,200 16,206 6,214 15,219 4,227 16,232 1,239 13,243 1,244 2,251 10,256 2,264 7,269 4,277 7,281 752,282 16.706,283 16.706,284 16.706,285 16.706,286 16.706,287 15.161,288 18.17,289 10.005,290 16.792,291 13.343,292 13.343,293 13.343,294 13.343,295 13.343,296 11.041,297 21.831,298 4.761,299 13.469,300 4.372,301 2.675,302 1.635,303 0.89,304 0.694,305 0.694,306 3.933,311 1,312 1,313 579,314 2.121,318 276.502,322 107.613,325 1.694,326 14.217,329 0.75,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.86,337 49.5,338 260,339 4.405,340 3.754,341 6.63,342 4.131,343 3.116,344 3.971,345 1.277,346 10.52,347 3.16,348 4.082,349 3.108,350 6.143,351 3.818,352 2.868,353 3.55,354 0.8,355 9.057,356 2.729,357 3.694,358 2.746,359 5.733,360 3.519,361 2.522,362 2.892,364 7.811,365 2.509,366 3.425,367 2.485,368 5.258,369 3.209,370 2.2,371 2.543,373 6.515,374 2.217,375 3.114,376 2.046,377 4.688,378 2.805,379 1.816,380 2.256,382 4.846,383 1.795,384 2.965,385 1.845,386 4.432,387 2.71,388 1.713,389 2.11,391 4.439,392 1.701,393 2.817,394 1.566,395 3.669,396 2.419,397 1.418,398 1.907,400 3.054,401 1.419,402 2.5,403 1.315,404 3.517,405 2.138,406 1.157,407 1.5,409 2.701,410 1.133,411 2.482,412 1.227,413 3.476,414 2,415 1,416 1.469,418 2.275,419 1,420 2.337,421 1.077,422 3.414,423 1.984,424 1,425 1.206,427 2.136,428 0.983,429 2,430 1,431 3.247,432 1.905,433 0.879,434 1,436 2.08,437 0.898,438 1.624,439 0.692,440 3.108,441 1.425,442 0.401,443 0.457,445 1.008,446 0.409,447 1.042,448 0.11,449 2.564,450 0.837,451 -0.177,452 -0.202,454 -0.426,455 -0.179,456 0.818,457 -0.324,458 2.341,459 0.542,460 -0.461,461 -0.547,463 -1.11,464 -0.461,465 0.625,466 -0.487,467 2.275,468 0.256,469 -0.731,470 -0.877,472 -1.738,473 -0.72,474 11.733,475 0.489,476 0.448,477 0.019,478 28.5,479 1.188,480 14,481 0.583,482 14.5,483 0.604,484 21.712,485 0.905,486 25.467,487 0.52,488 17.078,489 0.712,490 5.043,491 0.21,492 6.767,493 0.282,494 0.028,496 0.29,501 0.625,502 1.164,503 0.899,504 1.049,505 0.502,506 1,507 0.844,508 1.157,509 1.041,510 1.092,511 0.568,512 1.074,513 1.006,514 1.043,515 1.017,516 1.031,517 0.83,518 1.02,519 1.316,520 1.063,521 1.107,522 1.081,523 1.387,524 1.082,525 1.216,526 0.936,527 1.021,528 0.969,529 1.311,530 0.982,531 1.179,532 0.994,533 1.04,534 1.007,535 1.318,536 1.018,537 1.027,538 0.877,539 0.957,540 0.878,541 1.134,542 0.91,543 0.551,544 0.977,545 0.904,546 0.962,547 0.431,548 0.954,549 3.5,550 0.091,551 2.667,552 1.313,553 1.12,554 0.576,555 0.401,556 0.205,557 0.131,558 0.123,559 7249,560 14280,561 2.187,562 51,563 7,564 13,568 1,569 4,572 1.663,573 2.118,574 3.403,575 -0.905,582 60.917,583 1.243,584 2.94,585 3.979,586 4.725,587 4.921,588 4.921,589 2.907,590 4.168,591 4.557,592 3.545,593 978.451,594 7.834,595 11593.9,600 275.121,601 1.099,602 4.546,603 0.13,604 0.006,605 0.072,606 0.035,607 0.036,608 0.021,609 0.018,610 0.011,611 0.007,612 0.007,613 0.343,614 0.67,615 0.88,616 0.382,617 115.104,618 0.036,619 -0.047,620 0.068,621 0.018,622 0.033,623 0.039,624 -0.035,625 -0.068,626 -0.066,627 -0.077,628 0.003,629 -0.072,630 -0.021,631 -0.026,632 -0.033,633 -0.051,634 0.03,635 -0.042,636 -0.08,637 -0.097,638 -0.115,639 -0.108,640 -0.06,641 -0.113,642 -0.067,643 0.009,644 -0.033,645 -0.003,646 -0.07,647 -0.014,648 -0.064,649 -0.059,650 -0.056,651 -0.042,652 -0.104,653 -0.049,654 0.067,655 0.072,656 0.03,657 0.073,658 -0.056,659 0.05,660 0.046,661 -0.003,662 0.053,663 0.012,664 0.023,665 0.031,666 1.276,667 5.766,668 0.917,669 20.778,670 0.98,671 1.116,672 4.466,673 19.943,674 0.665,675 3.332,676 3.638,677 3.932,678 4.174,679 4.419,680 4.394,681 4.522,682 4.635,683 4.727,684 4.727,685 6.289,686 0.613,687 319.48,688 3.332,689 4.86,690 5.714,691 6.581,692 7.447,693 8.318,694 9.189,695 10.063,696 10.935,697 11.81,698 2,704 1,715 9,720 3,722 12,727 1,736 1,741 49,743 13,744 2,745 27,747 52,748 22,749 12,750 3,751 9,752 1,756 4,757 5,767 4,768 2,770 5,772 13,773 9,774 2,777 1,782 1,786 1,793 25,794 2,796 2,802 1,808 0.75,809 1,829 4,833 1,859 3,868 24,876 7,880 2,881 1,893 2,896 1,901 11.333,902 8.533,903 5.278,904 3.319,907 2.15,908 1.291,909 0.996,910 4.488,911 9.535,912 3.555,913 4.06,914 4.58,915 5.043,916 5.491,917 5.427,918 5.674,919 5.818,920 6.024,921 6.077,922 1,923 38,924 8.966,926 3.869,927 0.026,929 7.451,931 17.995,933 15.725,936 1.951,937 46.833,938 0.001,940 1,941 294.278,942 116.432,943 3.124,945 25.145,948 116.432,949 319.422,950 3.124,952 16.884,953 85.286,954 30.278,955 12.252,957 294.278,959 294.278,960 119.556,961 25.145,964 247.193,965 72.229,968 16.884,969 102.672,972 294.278,973 28.269,974 116.432,977 294.278,978 31.145,979 88.411,981 25.145,982 294.278,983 28.269,984 116.432,986 0.576,987 0.344,988 0.188,989 0.103,990 19,991 7,992 0.058,993 3,994 1,995 1.091,996 3.764,997 196.105,998 0.091,999 22,1000 102.039,1005 15.597,1006 6.906,1007 3.327,1009 28.269,1010 18.86,1015 3.562,1018 438.978,1019 34,1024 12.766,1028 0.391,1031 48.032,1032 54.69,1034 0.221,1035 0.524,1036 0.709,1037 0.841,1038 0.876,1039 0.876,1040 4.787,1041 1.157,1042 5.673,1043 3.054,1044 4.317,1045 4.745,1046 1.653,1047 6.463,1048 4.302,1049 5.936,1050 1,1051 7.215,1052 2.701,1053 3.761,1054 4.27,1055 0.325,1056 7.318,1057 3.737,1058 7.206,1059 1,1060 8.86,1061 2.275,1062 5.883,1063 6.771,1064 1.915,1065 10.429,1066 5.852,1067 8.508,1068 0.879,1069 10.569,1070 2.136,1071 6.196,1072 7.156,1073 0.268,1074 12.138,1075 6.164,1076 9.847,1077 0.401,1078 12.319,1079 2.08,1080 7.738,1081 9.107,1082 2.299,1083 14.745,1084 7.699,1085 11.211,1086 -0.177,1087 14.098,1088 1.008,1089 8.465,1090 9.918,1091 0.188,1092 16.798,1093 8.434,1094 12.596,1095 -0.461,1096 15.897,1097 -0.426,1098 9.758,1099 11.61,1100 2.732,1101 19.232,1102 9.723,1103 3.116,1104 -0.731,1105 17.71,1106 -1.11,1107 10.687,1108 12.653,1109 0.125,1110 21.436,1111 10.665,1112 2.868,1113 10.52,1114 19.535,1115 -1.738,1116 11.872,1117 14.207,1118 3.189,1119 23.807,1120 11.853,1121 2.522,1122 9.057,1123 21.368,1124 3.971,1125 12.899,1126 15.382,1127 0.082,1128 26.08,1129 12.896,1130 2.2,1131 7.811,1132 23.208,1133 3.55,1134 14.04,1135 16.857,1136 3.66,1137 28.43,1138 14.046,1139 1.816,1140 6.515,1141 25.054,1142 2.892,1143 15.113,1144 18.11,1145 0.054,1146 30.738,1147 15.138,1148 1.713,1149 4.846,1150 26.905,1151 2.543,1152 16.238,1153 19.54,1154 4.139,1155 33.082,1156 16.276,1157 1.418,1158 4.439,1159 28.76,1160 2.256,1161 17.334,1162 20.84,1163 0.035,1164 35.407,1165 17.393,1166 6705,1167 9481,1168 18.781,1169 32.597,1170 40.665,1171 41.314,1172 40.852,1173 40.214,1174 40.184,1175 49.723,1176 4.155,1177 112.883,1178 39.907,1179 5.405,1180 5.754,1181 6.432,1182 5.166,1183 5.116,1184 6.971,1185 2.555,1186 17.74,1187 5.16,1188 5.93,1189 1.506,1190 1.53,1191 1.513,1192 1.489,1193 1.488,1194 1.842,1195 0.154,1196 4.181,1197 1.478,1198 4.041,1199 4.074,1200 3.971,1201 3.968,1202 7.426,1203 3.965,1204 3.937,1205 3.976,1206 3.865,1207 3.852,1208 4.769,1209 3.85,1210 3.767,1211 3.812,1212 3.652,1213 3.681,1214 4.707,1215 3.668,1216 3.534,1217 3.587,1218 3.412,1219 3.415,1220 4.28,1221 3.406,1222 3.203,1223 3.275,1224 3.048,1225 3.048,1226 4.006,1227 3.038,1228 3.111,1229 3.206,1230 2.989,1231 2.941,1232 3.741,1233 2.922,1234 3.091,1235 3.128,1236 2.866,1237 2.912,1238 3.674,1239 2.91,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.628,1245 2.715,1246 0.163,1247 0.139,1248 0.246,1249 0.153,1250 0.115,1251 4.405,1252 0.147,1253 3.754,1254 0.047,1255 6.63,1256 0.39,1257 4.131,1258 0.117,1259 3.116,1260 3.971,1261 1.277,1262 10.52,1263 3.16,1264 2.007,1265 1.982,1266 2.142,1267 2.107,1268 1.514,1269 2.12,1270 1.925,1271 1.888,1272 2.064,1273 2.041,1274 1.338,1275 2.051,1276 1.786,1277 1.742,1278 1.961,1279 1.894,1280 1.074,1281 1.92,1282 1.542,1283 1.49,1284 1.765,1285 1.692,1286 0.967,1287 1.719,1288 1.208,1289 1.14,1290 1.513,1291 1.413,1292 0.825,1293 1.445,1294 1.153,1295 1.064,1296 1.497,1297 1.376,1298 0.767,1299 1.429,1300 1.037,1301 0.994,1302 1.256,1303 1.254,1304 0.477,1305 1.249,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.229,1311 1.107,1312 4.007,1314 5.313,1316 6.836,1318 8.452,1320 10.112,1328 7.832,1332 0.942,1333 2.481,1340 30.058,1341 60.917,1342 144.062,1343 194.982,1344 231.511,1345 241.121,1346 241.121,1347 36.068,1348 7.385,1349 20.31,1350 20.31,1351 24,1352 12.35,1353 3.807,1354 3,1355 34.103,1356 92,1357 84,1358 0.183,1359 182.527,1360 319.23,1361 437.126,1362 16705,1364 16.355,1365 0.681,1366 0.59,1367 16.355,1368 14.156,1369 11.81,1370 0.437,1371 0.342,1372 9.189,1373 11.644,1374 8.991,1375 7.409,1376 11.81,1377 9.232,1378 10.32,1379 0.279,1380 0.196,1381 10.32,1382 7.259,1383 9.139,1384 0.183,1385 0.115,1386 9.139,1387 5.769,1388 7.589,1389 0.119,1390 0.068,1391 7.589,1392 4.352,1393 6.362,1394 0.078,1395 0.041,1396 6.362,1397 3.379,1398 0.291,1399 72.01,1400 0.231,1401 23.696,1402 0.49,1403 128,1404 267.381,1405 132.518,1406 266.71,1407 372.53,1408 252,1409 151,1410 275.453,1411 156.157,1412 282.607,1413 413.36,1414 269,1415 5.678}
{0 CHEMBL1083678,1 1.231,2 10.88,3 5.604,4 31.399,5 104.275,6 6.414,7 0.429,8 4.012,9 4.138,10 3.469,11 3.627,12 4.922,13 3.558,14 4.612,15 4.798,16 3.81,17 4.066,18 5.43,19 3.961,20 4.996,21 5.237,22 3.944,23 4.287,24 5.769,25 4.147,26 5.083,27 5.337,28 3.833,29 4.273,30 5.888,31 4.102,32 5.053,33 5.326,34 3.688,35 4.197,36 5.824,37 4.008,38 4.961,39 5.25,40 3.495,41 4.065,42 5.658,43 3.853,44 4.787,45 5.084,46 3.346,47 3.884,48 5.471,49 3.676,50 4.569,51 4.862,52 3.224,53 3.72,54 5.218,55 3.522,56 0.05,57 0.689,58 12.128,59 5.434,60 6.864,61 7.565,62 0.122,63 1.222,64 22.531,65 9.479,66 13.144,67 13.43,68 0.21,69 1.698,70 33.394,71 13.701,72 24.56,73 19.447,74 0.261,75 1.776,76 36.684,77 14.955,78 38.089,79 20.945,80 0.271,81 1.695,82 35.669,83 14.477,84 41.18,85 20.315,86 0.225,87 1.537,88 32.358,89 13.275,90 32.08,91 18.791,92 0.247,93 1.299,94 27.237,95 10.935,96 29.163,97 15.66,98 0.122,99 1.074,100 21.609,101 8.889,102 15.793,103 12.871,104 2,105 38,106 0.207,107 0.487,108 0.669,109 0.81,110 0.841,111 0.841,112 3.267,113 1.043,114 -5.91,115 -5.77,116 -5.37,121 44.2,123 6,124 2,127 2,144 9,145 2,146 1,159 1,176 18,180 6,187 21,192 7,200 19,206 7,214 18,219 4,227 19,232 1,239 15,243 1,244 2,251 10,256 3,264 7,269 4,277 7,281 846,282 17.413,283 17.413,284 17.413,285 17.413,286 17.413,287 15.868,288 18.17,289 10.492,290 17.499,291 13.843,292 13.843,293 13.843,294 13.843,295 13.843,296 11.541,297 20.36,298 4.987,299 13.969,300 4.47,301 2.802,302 1.718,303 0.877,304 0.692,305 0.692,306 3.972,312 1,313 603,314 2.121,318 218.333,319 69.835,323 116.45,325 1.664,326 14.837,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 51.5,338 272,339 4.39,340 3.746,341 6.618,342 4.11,343 3.095,344 3.962,345 1.277,346 10.477,347 3.14,348 4.082,349 3.108,350 6.143,351 3.818,352 2.868,353 3.55,354 0.8,355 9.057,356 2.731,357 3.727,358 2.778,359 5.769,360 3.548,361 2.552,362 2.923,364 7.915,365 2.539,366 3.433,367 2.48,368 5.266,369 3.245,370 2.238,371 2.544,373 6.574,374 2.252,375 3.112,376 2.055,377 4.646,378 2.821,379 1.826,380 2.254,382 4.765,383 1.816,384 2.971,385 1.855,386 4.429,387 2.74,388 1.752,389 2.116,391 4.428,392 1.724,393 2.844,394 1.628,395 3.695,396 2.447,397 1.445,398 1.933,400 3.098,401 1.447,402 2.5,403 1.318,404 3.54,405 2.15,406 1.167,407 1.5,409 2.707,410 1.146,411 2.482,412 1.234,413 3.506,414 2.043,415 1.038,416 1.471,418 2.414,419 1.042,420 2.418,421 1.077,422 3.414,423 2,424 1,425 1.347,427 2.275,428 1,429 2,430 1.005,431 3.266,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.928,439 1,440 3.247,441 1.645,442 0.597,443 0.74,445 1.475,446 0.621,447 1.222,448 0.238,449 2.764,450 1.076,451 0.071,452 0.078,454 0.175,455 0.071,456 0.95,457 -0.038,458 2.551,459 0.782,460 -0.21,461 -0.23,463 -0.505,464 -0.208,465 0.699,466 -0.327,467 2.298,468 0.374,469 -0.623,470 -0.727,472 -1.494,473 -0.617,474 12.233,475 0.489,476 0.448,477 0.018,478 29,479 1.16,480 14,481 0.56,482 15,483 0.6,484 23.895,485 0.956,486 26.767,487 0.515,488 17.661,489 0.706,490 5.043,491 0.202,492 7.267,493 0.291,494 0.027,496 0.278,501 0.633,502 1.178,503 0.921,504 1.068,505 0.504,506 1.02,507 0.847,508 1.171,509 1.058,510 1.11,511 0.569,512 1.092,513 0.979,514 1.017,515 0.99,516 1.006,517 0.808,518 0.994,519 1.339,520 1.076,521 1.101,522 1.092,523 1.441,524 1.085,525 1.396,526 0.961,527 1.075,528 0.995,529 1.545,530 1.015,531 1.101,532 0.989,533 1.024,534 1.003,535 1.23,536 1.012,537 0.963,538 0.893,539 0.957,540 0.898,541 1.05,542 0.925,543 0.545,544 1.007,545 0.903,546 0.97,547 0.392,548 0.958,549 3.5,550 0.09,551 2.667,552 1.563,553 1.056,554 0.569,555 0.391,556 0.2,557 0.153,558 0.127,559 7881,560 15164,561 2.179,562 51.9,563 9,564 13,568 1,569 4,572 1.676,573 2.113,574 3.394,575 -0.909,582 63.999,583 1.231,584 2.898,585 3.982,586 4.823,587 5.008,588 5.008,589 2.889,590 4.164,591 4.617,592 3.547,593 1064.04,594 7.96,595 12919.6,600 296.423,601 1.078,602 4.606,603 0.125,604 0.005,605 0.07,606 0.037,607 0.03,608 0.019,609 0.016,610 0.01,611 0.008,612 0.007,613 0.328,614 0.67,615 0.88,616 0.372,617 121.193,618 0.037,619 -0.044,620 0.066,621 0.018,622 0.037,623 0.038,624 -0.032,625 -0.075,626 -0.069,627 -0.083,628 0.007,629 -0.078,630 -0.011,631 0.004,632 -0.003,633 -0.017,634 0.035,635 -0.008,636 -0.063,637 -0.105,638 -0.105,639 -0.114,640 -0.05,641 -0.112,642 -0.111,643 -0.011,644 -0.082,645 -0.027,646 -0.112,647 -0.049,648 -0.051,649 -0.055,650 -0.048,651 -0.04,652 -0.09,653 -0.044,654 0.066,655 0.053,656 0.021,657 0.054,658 -0.042,659 0.035,660 0.059,661 -0.04,662 0.053,663 -0.007,664 0.036,665 0.018,666 1.265,667 5.986,668 0.92,669 21.181,670 0.979,671 1.117,672 4.681,673 21.908,674 0.661,675 3.367,676 3.664,677 3.951,678 4.19,679 4.419,680 4.443,681 4.543,682 4.644,683 4.745,684 4.828,685 6.324,686 0.607,687 333.51,688 3.367,689 4.89,690 5.74,691 6.603,692 7.465,693 8.332,694 9.197,695 10.066,696 10.934,697 11.803,698 1.9,704 1,715 9,720 3,722 12,727 1,736 1,741 52,743 13,744 2,745 28,747 55,748 23,749 12,750 3,751 9,752 1,756 4,757 5,767 5,768 2,770 6,772 13,773 10,774 2,777 1,782 1,786 1,793 27,794 2,796 2,802 1,808 0.75,809 1,829 3,830 1,834 1,859 3,868 25,876 8,880 2,881 1,893 1.9,896 1,901 11.833,902 9.033,903 5.528,904 3.569,907 2.142,908 1.287,909 0.99,910 4.986,911 9.61,912 3.584,913 4.078,914 4.59,915 5.05,916 5.487,917 5.432,918 5.66,919 5.787,920 5.979,921 6.204,922 1,923 42,924 9.349,926 4.016,927 0.026,929 7.433,931 18.811,933 16.392,936 1.933,937 48.333,938 0.001,941 317.82,942 118.966,943 3.124,945 25.145,948 118.966,949 342.965,950 3.124,952 19.419,953 85.286,954 30.278,955 12.252,957 317.82,959 317.82,960 122.091,961 25.145,964 270.735,965 72.229,968 19.419,969 102.672,972 317.82,973 28.269,974 118.966,977 317.82,978 33.68,979 88.411,981 25.145,982 317.82,983 28.269,984 118.966,986 0.573,987 0.342,988 0.189,989 0.102,990 19,991 7,992 0.055,993 3,994 1,995 1.087,996 3.812,997 208.343,998 0.087,999 23,1000 108.096,1005 16.541,1006 7.536,1007 3.695,1009 28.269,1010 18.946,1015 3.584,1018 465.055,1019 35,1024 12.986,1028 0.401,1031 50.916,1032 58.105,1034 0.216,1035 0.508,1036 0.699,1037 0.846,1038 0.879,1039 0.879,1040 4.812,1041 1.167,1042 5.694,1043 3.098,1044 4.344,1045 4.762,1046 1.653,1047 6.475,1048 4.329,1049 5.955,1050 1.038,1051 7.229,1052 2.707,1053 3.761,1054 4.27,1055 0.325,1056 7.318,1057 3.737,1058 7.22,1059 1,1060 8.87,1061 2.414,1062 5.9,1063 6.778,1064 1.915,1065 10.431,1066 5.869,1067 8.518,1068 1,1069 10.575,1070 2.275,1071 6.196,1072 7.156,1073 0.268,1074 12.138,1075 6.164,1076 9.854,1077 0.597,1078 12.323,1079 2.136,1080 7.742,1081 9.107,1082 2.299,1083 14.739,1084 7.702,1085 11.215,1086 0.071,1087 14.1,1088 1.475,1089 8.456,1090 9.913,1091 0.188,1092 16.79,1093 8.424,1094 12.596,1095 -0.21,1096 15.898,1097 0.175,1098 9.747,1099 11.605,1100 2.732,1101 19.216,1102 9.711,1103 3.095,1104 -0.623,1105 17.71,1106 -0.505,1107 10.665,1108 12.642,1109 0.125,1110 21.417,1111 10.641,1112 2.868,1113 10.477,1114 19.533,1115 -1.494,1116 11.845,1117 14.195,1118 3.189,1119 23.781,1120 11.823,1121 2.552,1122 9.057,1123 21.364,1124 3.962,1125 12.862,1126 15.365,1127 0.082,1128 26.05,1129 12.856,1130 2.238,1131 7.915,1132 23.203,1133 3.55,1134 13.997,1135 16.84,1136 3.66,1137 28.393,1138 13.999,1139 1.826,1140 6.574,1141 25.047,1142 2.923,1143 15.061,1144 18.088,1145 0.054,1146 30.696,1147 15.081,1148 1.752,1149 4.765,1150 26.896,1151 2.544,1152 16.179,1153 19.517,1154 4.139,1155 33.034,1156 16.211,1157 1.445,1158 4.428,1159 28.749,1160 2.254,1161 17.267,1162 20.812,1163 0.035,1164 35.355,1165 17.318,1166 7311,1167 10213,1168 19.474,1169 34.358,1170 41.777,1171 42.442,1172 42.033,1173 41.349,1174 41.296,1175 50.838,1176 4.155,1177 114.989,1178 41.024,1179 5.39,1180 5.746,1181 6.42,1182 5.146,1183 5.095,1184 6.962,1185 2.555,1186 17.629,1187 5.14,1188 6.045,1189 1.492,1190 1.516,1191 1.501,1192 1.477,1193 1.475,1194 1.816,1195 0.148,1196 4.107,1197 1.465,1198 4.034,1199 4.069,1200 3.961,1201 3.96,1202 7.426,1203 3.955,1204 3.936,1205 3.974,1206 3.864,1207 3.852,1208 4.769,1209 3.849,1210 3.774,1211 3.818,1212 3.66,1213 3.69,1214 4.705,1215 3.676,1216 3.58,1217 3.637,1218 3.449,1219 3.465,1220 4.282,1221 3.452,1222 3.344,1223 3.404,1224 3.199,1225 3.192,1226 4.053,1227 3.184,1228 3.111,1229 3.206,1230 2.991,1231 2.941,1232 3.79,1233 2.929,1234 3.1,1235 3.151,1236 2.866,1237 2.92,1238 3.674,1239 2.91,1240 2.938,1241 2.999,1242 2.787,1243 2.803,1244 3.64,1245 2.791,1246 0.157,1247 0.134,1248 0.236,1249 0.147,1250 0.111,1251 4.39,1252 0.142,1253 3.746,1254 0.046,1255 6.618,1256 0.374,1257 4.11,1258 0.112,1259 3.095,1260 3.962,1261 1.277,1262 10.477,1263 3.14,1264 1.95,1265 1.922,1266 2.108,1267 2.078,1268 1.501,1269 2.091,1270 1.925,1271 1.891,1272 2.044,1273 2.006,1274 1.306,1275 2.019,1276 1.825,1277 1.784,1278 1.993,1279 1.935,1280 1.197,1281 1.958,1282 1.656,1283 1.601,1284 1.884,1285 1.813,1286 1.053,1287 1.84,1288 1.326,1289 1.268,1290 1.586,1291 1.508,1292 0.829,1293 1.538,1294 1.153,1295 1.064,1296 1.513,1297 1.376,1298 0.825,1299 1.429,1300 1.073,1301 1.013,1302 1.332,1303 1.29,1304 0.578,1305 1.302,1306 0.915,1307 0.856,1308 1.184,1309 1.107,1310 0.343,1311 1.135,1312 4.043,1314 5.342,1316 6.845,1317 2.708,1318 8.432,1319 5.293,1320 10.061,1328 9.002,1332 0.927,1333 2.487,1340 31.585,1341 63.999,1342 150.696,1343 207.065,1344 250.813,1345 260.423,1346 260.423,1347 38.955,1348 7.469,1349 20.31,1350 20.31,1351 25,1352 12.347,1353 3.807,1354 3,1355 36.109,1356 96,1357 92,1358 0.185,1359 192.119,1360 336.53,1361 460.532,1362 18889,1364 17.062,1365 0.682,1366 0.595,1367 17.062,1368 14.863,1369 12.31,1370 0.44,1371 0.348,1372 9.689,1373 12.144,1374 9.482,1375 7.826,1376 12.31,1377 9.732,1378 10.673,1379 0.281,1380 0.2,1381 10.673,1382 7.612,1383 9.381,1384 0.184,1385 0.118,1386 9.381,1387 6.006,1388 7.803,1389 0.12,1390 0.07,1391 7.803,1392 4.562,1393 6.486,1394 0.079,1395 0.043,1396 6.486,1397 3.504,1398 0.292,1399 75.01,1400 0.227,1401 24.441,1402 0.499,1403 132,1404 271.381,1405 136.518,1406 270.872,1407 378.29,1408 256,1409 155,1410 279.453,1411 160.157,1412 286.768,1413 419.1,1414 273,1415 4.824}
{0 CHEMBL1083789,1 1.237,2 10.609,3 4.527,4 20.496,5 98.494,6 5.991,7 0.44,8 3.999,9 4.151,10 3.378,11 3.548,12 4.879,13 3.473,14 4.588,15 4.803,16 3.668,17 3.961,18 5.363,19 3.837,20 4.907,21 5.193,22 3.747,23 4.088,24 5.6,25 3.933,26 4.865,27 5.146,28 3.681,29 4.041,30 5.583,31 3.886,32 4.831,33 5.105,34 3.589,35 4.034,36 5.522,37 3.865,38 4.856,39 5.139,40 3.445,41 4.022,42 5.496,43 3.814,44 4.845,45 5.158,46 3.247,47 3.914,48 5.425,49 3.672,50 4.683,51 5.012,52 3.063,53 3.714,54 5.258,55 3.469,56 0.072,57 0.75,58 12.932,59 5.122,60 8.257,61 7.611,62 0.13,63 1.222,64 22.685,65 8.843,66 14.224,67 13.234,68 0.203,69 1.508,70 30.36,71 11.009,72 22.371,73 16.931,74 0.25,75 1.464,76 29.456,77 10.212,78 24.224,79 15.886,80 0.206,81 1.411,82 28.334,83 10.328,84 20.618,85 15.803,86 0.178,87 1.389,88 28.501,89 11.181,90 19.494,91 16.668,92 0.168,93 1.289,94 27.611,95 10.866,96 19.27,97 16.196,98 0.178,99 1.072,100 23.388,101 9.046,102 19.204,103 13.497,104 10,105 32,106 0.21,107 0.502,108 0.673,109 0.819,110 0.876,111 0.889,112 3.188,113 1.109,114 -4.31,115 -4.25,116 -4.01,121 38.5,123 9,127 2,144 4,145 2,146 1,148 2,165 1,166 1,167 1,176 12,180 4,185 4,187 12,189 1,192 4,197 4,200 8,203 1,206 2,209 1,211 6,214 9,216 1,224 4,227 12,229 1,232 1,237 2,239 14,241 1,244 1,251 12,256 1,260 1,263 1,264 10,269 1,277 8,281 858,282 16.234,283 16.234,284 16.234,285 16.234,286 16.234,287 14.946,288 13.363,289 10.358,290 16.364,291 12.385,292 12.385,293 12.385,294 12.385,295 12.385,296 10.361,297 12.408,298 4.942,299 12.608,300 4.463,301 2.741,302 1.732,303 0.875,304 0.538,305 0.462,306 3.88,311 1,312 1,313 526,314 3.24,318 143.067,322 164.094,325 1.52,326 10.502,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 47.5,338 244,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.4,346 11.348,347 3.162,348 3.914,349 2.669,350 5.982,351 3.524,352 2.532,353 3.437,355 8.37,356 2.512,357 3.522,358 2.356,359 5.381,360 3.136,361 2.182,362 2.893,364 6.711,365 2.08,366 2.941,367 1.916,368 4.116,369 2.87,370 1.875,371 2.142,373 3.782,374 1.864,375 2.887,376 1.724,377 3.981,378 2.554,379 1.576,380 1.893,382 3.369,383 1.539,384 2.64,385 1.543,386 3.823,387 2.497,388 1.506,389 1.67,391 3.329,392 1.491,393 2.536,394 1.442,395 3.609,396 2.345,397 1.347,398 1.54,400 3.038,401 1.343,402 2.484,403 1.35,404 3.594,405 2.242,406 1.247,407 1.483,409 2.902,410 1.24,411 2.17,412 1.271,413 3.405,414 2.101,415 1.135,416 1.163,418 2.354,419 1.094,420 1.879,421 0.887,422 3,423 1.745,424 0.765,425 0.83,427 1.574,428 0.748,429 1.518,430 0.507,431 2.827,432 1.348,433 0.384,434 0.419,436 0.734,437 0.369,438 1.208,439 0.113,440 2.439,441 0.96,447 0.917,448 -0.202,449 2.404,450 0.606,451 -0.359,452 -0.393,454 -0.715,455 -0.345,456 0.766,457 -0.404,458 2,459 0.538,460 -0.445,461 -0.568,463 -1.091,464 -0.436,465 0.514,466 -0.651,467 2,468 0.176,469 -0.802,470 -0.852,472 -1.621,473 -0.784,474 11.2,475 0.487,476 0.274,477 0.012,478 24.25,479 1.054,480 10.5,481 0.457,482 13.75,483 0.598,484 22.586,485 0.982,486 26,487 0.5,488 13.689,489 0.595,490 3.968,491 0.173,492 7.43,493 0.323,494 0.036,496 0.223,501 1.153,502 1.252,503 1.06,504 1.129,505 1.151,506 1.095,507 0.991,508 1.273,509 1.09,510 1.197,511 0.861,512 1.159,513 0.989,514 1.021,515 0.864,516 0.91,517 0.789,518 0.883,519 1.309,520 0.992,521 1.012,522 0.939,523 0.998,524 0.952,525 1.328,526 0.997,527 1.121,528 1.019,529 1.051,530 1.049,531 0.952,532 1.047,533 1.135,534 1.133,535 0.936,536 1.145,537 0.746,538 0.971,539 1.005,540 1.045,541 0.83,542 1.044,543 0.716,544 0.816,545 0.916,546 0.913,547 0.773,548 0.926,549 2,550 0.062,551 1.778,552 1.188,553 1.12,554 0.382,555 0.26,556 0.13,557 0.098,558 0.077,559 5769,560 9962,561 2.119,562 55.8,563 12,564 8,567 3,568 2,569 4,572 1.656,573 2.06,574 3.287,575 0.903,582 64.348,583 1.237,584 2.96,585 3.969,586 4.825,587 5.162,588 5.239,589 2.67,590 4.002,591 4.483,592 3.493,593 883.623,594 7.721,595 10238,597 1,600 296.423,601 0.998,602 4.488,603 0.08,604 0.005,605 0.056,606 0.035,607 0.036,608 0.014,609 0.011,610 0.007,611 0.007,612 0.005,613 0.256,614 0.5,615 1,616 1.967,617 108.571,618 -0.054,619 0.038,620 0.039,621 0.059,622 -0.026,623 0.056,624 -0.022,625 -0.131,626 -0.053,627 -0.095,628 0.018,629 -0.079,630 0.065,631 -0.017,632 0.132,633 0.077,634 0.091,635 0.104,636 -0.008,637 0.049,638 0.008,639 0.03,640 -0.012,641 0.022,642 -0.18,643 0.046,644 -0.111,645 -0.023,646 -0.15,647 -0.055,648 -0.126,649 -0.059,650 -0.162,651 -0.122,652 -0.149,653 -0.141,654 -0.03,655 -0.059,656 -0.065,657 -0.07,658 -0.078,659 -0.07,660 0.076,661 0.074,662 0.021,663 0.034,664 0.027,665 0.025,666 0.673,667 1.903,668 0.609,669 21.675,670 0.977,671 1.133,672 3.082,673 9.502,674 0.633,675 3.258,676 3.497,677 3.784,678 4.078,679 4.357,680 4.419,681 4.543,682 4.635,683 4.682,684 4.511,685 6.107,686 0.575,687 311.52,688 3.258,689 4.745,690 5.58,691 6.438,692 7.306,693 8.186,694 9.07,695 9.962,696 10.855,697 11.753,698 5.8,699 1,703 1,708 1,714 2,715 4,716 1,720 3,722 11,734 1,741 52,743 11,744 1,745 25,747 54,748 20,749 9,750 2,751 4,756 3,757 6,763 1,767 4,770 9,772 9,773 11,790 1,793 29,794 3,795 3,796 3,802 3,808 0.333,822 1,829 3,833 2,851 1,859 1,868 23,869 1,876 11,877 1,901 11.167,902 8.867,903 5.361,904 3.704,907 2.422,908 1.342,909 0.987,910 6.011,911 9.509,912 3.45,913 3.98,914 4.6,915 5.232,916 5.85,917 6.181,918 6.56,919 6.902,920 7.197,921 7,922 0.857,923 34,924 8.558,926 3.506,927 0.026,929 7.341,931 17.393,933 14.569,936 1.841,937 42.333,938 0.001,940 1,941 306.049,942 78.343,943 67.693,948 78.343,949 306.049,950 67.693,952 59.919,953 37.905,954 34.796,955 13.416,957 306.049,959 306.049,960 146.037,964 258.964,965 47.084,968 64.82,969 46.42,970 34.796,972 306.049,973 67.693,974 78.343,977 306.049,978 40.438,979 37.905,980 18.011,981 49.683,982 306.049,983 67.693,984 78.343,986 0.544,987 0.317,988 0.184,989 0.106,990 14,991 5,992 0.148,993 8,994 2,995 1.286,996 3.647,997 176.19,998 0.286,999 14,1000 104.042,1005 16.417,1006 8.422,1007 4.1,1008 2.426,1009 67.693,1010 8.562,1011 4.903,1015 4.144,1017 50.908,1018 452.085,1019 30.5,1031 50.792,1032 58.893,1034 0.217,1035 0.519,1036 0.696,1037 0.846,1038 0.906,1039 0.919,1040 4.642,1041 1.247,1042 5.501,1043 3.038,1044 4.174,1045 4.663,1046 0.278,1047 6.282,1048 4.137,1049 5.784,1050 1.135,1051 7.022,1052 2.902,1053 3.434,1054 4.407,1056 7.168,1057 3.374,1058 7.065,1059 0.765,1060 8.664,1061 2.354,1062 5.694,1063 6.884,1064 0.05,1065 10.363,1066 5.619,1067 8.399,1068 0.384,1069 10.386,1070 1.574,1071 5.943,1072 7.614,1074 12.195,1075 5.842,1076 9.782,1078 12.162,1079 0.734,1080 7.556,1081 9.509,1082 0.008,1083 14.876,1084 7.443,1085 11.201,1086 -0.359,1087 13.974,1089 8.306,1090 10.675,1092 17.061,1093 8.167,1094 12.645,1095 -0.445,1096 15.811,1097 -0.715,1098 9.643,1099 12.343,1100 0.001,1101 19.576,1102 9.489,1103 3.226,1104 -0.802,1105 17.665,1106 -1.091,1107 10.629,1108 13.704,1110 21.902,1111 10.451,1112 2.532,1113 11.348,1114 19.532,1115 -1.621,1116 11.856,1117 15.281,1119 24.361,1120 11.661,1121 2.182,1122 8.37,1123 21.408,1124 4.564,1125 12.946,1126 16.728,1128 26.744,1129 12.728,1130 1.875,1131 6.711,1132 23.292,1133 3.437,1134 14.133,1135 18.268,1137 29.184,1138 13.897,1139 1.576,1140 3.782,1141 25.181,1142 2.893,1143 15.268,1144 19.754,1146 31.592,1147 15.01,1148 1.506,1149 3.369,1150 27.075,1151 2.142,1152 16.442,1153 21.28,1155 34.024,1156 16.163,1157 1.347,1158 3.329,1159 28.972,1160 1.893,1161 17.596,1162 22.783,1164 36.444,1165 17.296,1166 5685,1167 7573,1168 17.277,1169 32.915,1170 35.422,1171 35.818,1172 36.777,1173 35.575,1174 35.552,1175 44.07,1176 0.8,1177 95.02,1178 34.884,1179 5.59,1180 5.361,1181 6.8,1182 5.247,1183 5.226,1184 7.564,1185 0.8,1186 18.879,1187 5.162,1188 6.675,1189 1.417,1190 1.433,1191 1.471,1192 1.423,1193 1.422,1194 1.763,1195 0.032,1196 3.801,1197 1.395,1198 4.113,1199 4.144,1200 4.073,1201 4.04,1202 5.009,1203 4.044,1204 3.774,1205 3.843,1206 3.623,1207 3.656,1208 4.969,1209 3.641,1210 3.732,1211 3.781,1212 3.601,1213 3.638,1214 4.413,1215 3.62,1216 3.563,1217 3.648,1218 3.392,1219 3.387,1220 4.257,1221 3.376,1222 3.322,1223 3.408,1224 3.166,1225 3.166,1226 4.045,1227 3.157,1228 3.182,1229 3.259,1230 3.039,1231 2.995,1232 3.971,1233 2.993,1234 3.109,1235 3.195,1236 2.918,1237 2.936,1238 3.74,1239 2.919,1240 2.915,1241 3.016,1242 2.712,1243 2.758,1244 3.525,1245 2.738,1246 0.186,1247 0.134,1248 0.273,1249 0.168,1250 0.129,1251 4.64,1252 0.183,1253 3.361,1254 0.016,1255 6.829,1256 0.454,1257 4.207,1258 0.126,1259 3.226,1260 4.564,1261 0.4,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.437,1269 2.163,1270 1.781,1271 1.717,1272 2.032,1273 1.949,1274 1.382,1275 1.981,1276 1.754,1277 1.708,1278 1.949,1279 1.872,1280 1.165,1281 1.902,1282 1.563,1283 1.485,1284 1.839,1285 1.782,1286 1.115,1287 1.806,1288 1.312,1289 1.244,1290 1.586,1291 1.55,1292 0.799,1293 1.569,1294 1.172,1295 1.092,1296 1.458,1297 1.375,1298 0.748,1299 1.399,1300 1.125,1301 1.043,1302 1.418,1303 1.343,1304 0.61,1305 1.381,1306 0.924,1307 0.851,1308 1.258,1309 1.192,1310 0.42,1311 1.223,1312 3.932,1314 5.187,1316 6.671,1318 8.281,1320 9.967,1326 5.545,1328 13.012,1329 3.742,1340 29.913,1341 64.348,1342 153.909,1343 206.365,1344 250.913,1345 268.423,1346 272.423,1347 32.19,1348 7.088,1349 50.94,1350 50.94,1351 18,1352 12.278,1353 3.585,1354 2.7,1355 36.972,1356 78,1357 117,1358 0.221,1359 186.183,1360 315.48,1361 446.047,1362 11205,1364 15.908,1365 0.692,1366 0.614,1367 15.908,1368 14.112,1369 11.398,1370 0.456,1371 0.37,1372 9.195,1373 11.222,1374 9.019,1375 7.524,1376 11.398,1377 9.243,1378 9.226,1379 0.288,1380 0.207,1381 9.226,1382 6.62,1383 7.782,1384 0.181,1385 0.113,1386 7.782,1387 4.852,1388 6.657,1389 0.115,1390 0.062,1391 6.657,1392 3.588,1393 5.693,1394 0.074,1395 0.035,1396 5.693,1397 2.674,1398 0.348,1399 69.605,1400 0.241,1401 22.843,1402 0.601,1403 114,1404 217.29,1405 118.468,1406 220.396,1407 316.29,1408 210,1409 132,1410 241.93,1411 136.829,1412 247.673,1413 365.65,1414 237,1415 6.496}
{0 CHEMBL1083790,1 1.214,2 12.24,3 5.44,4 29.59,5 107.696,6 5.855,7 0.407,8 4.1,9 4.254,10 3.455,11 3.644,12 4.955,13 3.564,14 4.697,15 4.916,16 3.735,17 4.057,18 5.446,19 3.925,20 5.023,21 5.315,22 3.809,23 4.187,24 5.686,25 4.021,26 4.986,27 5.273,28 3.747,29 4.144,30 5.671,31 3.977,32 4.956,33 5.237,34 3.662,35 4.139,36 5.615,37 3.958,38 4.978,39 5.267,40 3.528,41 4.128,42 5.592,43 3.912,44 4.968,45 5.284,46 3.348,47 4.031,48 5.527,49 3.784,50 4.826,51 5.156,52 3.182,53 3.852,54 5.367,55 3.603,56 0.08,57 0.828,58 14.542,59 5.81,60 8.923,61 8.63,62 0.143,63 1.348,64 25.391,65 9.986,66 15.397,67 14.93,68 0.219,69 1.664,70 33.754,71 12.427,72 23.776,73 19.054,74 0.265,75 1.619,76 32.881,77 11.647,78 25.532,79 18.036,80 0.221,81 1.567,82 31.763,83 11.783,84 21.836,85 17.967,86 0.193,87 1.545,88 31.835,89 12.619,90 20.615,91 18.775,92 0.181,93 1.443,94 30.781,95 12.262,96 20.156,97 18.221,98 0.165,99 1.226,100 26.523,101 10.314,102 17.576,103 15.463,104 12,105 34,106 0.201,107 0.469,108 0.632,109 0.777,110 0.847,111 0.879,112 3.266,113 1.138,114 -4.75,115 -4.67,116 -4.39,121 37.9,123 11,127 2,144 4,145 2,146 1,148 2,165 1,166 1,167 1,176 14,180 4,185 4,187 14,189 1,192 4,197 4,200 10,203 1,206 2,209 1,211 6,214 11,216 1,224 4,227 14,229 1,232 1,237 2,239 15,241 1,244 1,249 2,251 12,253 1,256 1,261 2,264 10,266 1,269 1,277 10,281 1097,282 17.648,283 17.648,284 17.648,285 17.648,286 17.648,287 16.361,288 13.363,289 11.358,290 17.778,291 13.385,292 13.385,293 13.385,294 13.385,295 13.385,296 11.361,297 12.408,298 5.442,299 13.608,300 4.644,301 3.026,302 2.046,303 1.172,304 0.75,305 0.552,306 3.959,311 1,312 1,313 658,314 3.536,318 165.532,322 190.102,325 1.811,326 10.653,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 51.5,338 306,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.4,346 11.348,347 3.162,348 3.914,349 2.669,350 5.982,351 3.524,352 2.532,353 3.437,355 8.37,356 2.512,357 3.522,358 2.356,359 5.381,360 3.136,361 2.182,362 2.893,364 6.711,365 2.08,366 2.943,367 1.939,368 4.116,369 2.912,370 1.915,371 2.142,373 3.849,374 1.909,375 2.92,376 1.787,377 3.986,378 2.68,379 1.693,380 1.926,382 3.482,383 1.671,384 2.719,385 1.606,386 3.873,387 2.514,388 1.525,389 1.733,391 3.329,392 1.506,393 2.59,394 1.467,395 3.671,396 2.345,397 1.357,398 1.613,400 3.214,401 1.343,402 2.489,403 1.409,404 3.594,405 2.335,406 1.347,407 1.488,409 2.902,410 1.325,411 2.369,412 1.35,413 3.529,414 2.242,415 1.247,416 1.367,418 2.731,419 1.24,420 2.054,421 1.125,422 3.238,423 1.972,424 1,425 1.038,427 2.091,428 0.97,429 1.798,430 0.794,431 2.915,432 1.671,433 0.689,434 0.745,436 1.386,437 0.676,438 1.465,439 0.444,440 2.769,441 1.304,442 0.337,443 0.365,445 0.65,446 0.325,447 1.188,448 0.104,449 2.404,450 0.963,456 0.917,457 -0.176,458 2.376,459 0.653,460 -0.315,461 -0.343,463 -0.634,464 -0.304,465 0.797,466 -0.404,467 2,468 0.538,469 -0.445,470 -0.568,472 -1.091,473 -0.436,474 12.2,475 0.488,476 0.274,477 0.011,478 25.25,479 1.01,480 10.5,481 0.42,482 14.75,483 0.59,484 26.139,485 1.046,486 28.6,487 0.493,488 14.043,489 0.562,490 3.968,491 0.159,492 8.43,493 0.337,494 0.033,496 0.205,501 1.158,502 1.274,503 1.092,504 1.162,505 1.148,506 1.13,507 0.997,508 1.293,509 1.122,510 1.225,511 0.861,512 1.189,513 0.974,514 1.017,515 0.871,516 0.917,517 0.777,518 0.892,519 1.273,520 0.99,521 1.003,522 0.943,523 0.972,524 0.953,525 1.288,526 0.994,527 1.099,528 1.014,529 1.02,530 1.039,531 0.936,532 1.04,533 1.113,534 1.115,535 0.914,536 1.124,537 0.74,538 0.972,539 0.998,540 1.037,541 0.813,542 1.035,543 0.775,544 0.889,545 0.917,546 0.933,547 0.808,548 0.934,549 2,550 0.062,551 1.778,552 1.188,553 1.12,554 0.382,555 0.26,556 0.13,557 0.098,558 0.077,559 7739,560 12856,561 2.11,562 56.9,563 16,564 8,567 3,568 2,569 4,572 1.675,573 2.055,574 3.469,575 0.847,582 70.436,583 1.214,584 2.832,585 3.812,586 4.686,587 5.108,588 5.306,589 2.859,590 4.164,591 4.603,592 3.706,593 1111.76,594 7.943,595 14186.8,600 339.763,601 0.951,602 4.611,603 0.074,604 0.004,605 0.052,606 0.033,607 0.034,608 0.013,609 0.01,610 0.007,611 0.006,612 0.005,613 0.238,614 0.5,615 1,616 2.229,617 123.381,618 -0.043,619 0.034,620 0.038,621 0.053,622 -0.008,623 0.051,624 -0.02,625 -0.142,626 -0.066,627 -0.11,628 0.025,629 -0.095,630 0.073,631 -0.015,632 0.125,633 0.072,634 0.101,635 0.097,636 0.01,637 0.044,638 0.016,639 0.03,640 0.008,641 0.025,642 -0.154,643 0.042,644 -0.088,645 -0.015,646 -0.123,647 -0.041,648 -0.111,649 -0.052,650 -0.138,651 -0.104,652 -0.129,653 -0.119,654 -0.026,655 -0.053,656 -0.057,657 -0.061,658 -0.067,659 -0.061,661 0.007,662 0.017,663 0.016,664 -0.03,665 0.017,666 0.659,667 1.921,668 0.56,669 26.576,670 0.975,671 1.133,672 3.524,673 12.42,674 0.628,675 3.332,676 3.555,677 3.829,678 4.111,679 4.382,680 4.443,681 4.564,682 4.654,683 4.7,684 4.533,685 7.018,686 0.568,687 339.58,688 3.332,689 4.812,690 5.638,691 6.488,692 7.348,693 8.221,694 9.099,695 9.985,696 10.875,697 11.769,698 5.2,699 1,703 1,708 1,714 2,715 4,716 1,720 3,722 11,734 1,741 58,743 11,744 1,745 27,747 60,748 22,749 9,750 2,751 4,756 3,757 6,763 1,767 4,770 11,772 9,773 13,793 33,794 3,795 3,796 3,802 3,808 0.333,822 1,829 3,833 2,851 1,859 1,868 25,869 1,876 13,877 1,901 12.167,902 9.867,903 5.861,904 4.204,907 2.416,908 1.335,909 0.977,910 7.261,911 9.631,912 3.512,913 4.016,914 4.62,915 5.242,916 5.856,917 6.185,918 6.563,919 6.904,920 7.198,921 7.002,922 0.875,923 36,924 9.315,926 3.792,927 0.026,929 7.313,931 19.026,933 15.903,936 1.813,937 45.333,938 0.001,941 353.133,942 83.412,943 67.693,948 83.412,949 353.133,950 67.693,952 64.988,953 37.905,954 34.796,955 13.416,957 353.133,959 353.133,960 151.106,964 306.049,965 47.084,968 69.889,969 46.42,970 34.796,972 353.133,973 67.693,974 83.412,977 353.133,978 45.507,979 37.905,980 18.011,981 49.683,982 353.133,983 67.693,984 83.412,986 0.541,987 0.311,988 0.179,989 0.103,990 14,991 5,992 0.167,993 10,994 2,995 1.286,996 3.895,997 192.525,998 0.286,999 14,1000 111.342,1005 18.353,1006 9.89,1007 5.025,1008 2.44,1009 67.693,1010 8.596,1011 4.921,1015 4.169,1017 50.908,1018 504.239,1019 32.5,1031 56.559,1032 65.723,1034 0.207,1035 0.483,1036 0.651,1037 0.8,1038 0.872,1039 0.906,1040 4.698,1041 1.347,1042 5.549,1043 3.214,1044 4.234,1045 4.7,1046 0.278,1047 6.312,1048 4.199,1049 5.826,1050 1.247,1051 7.057,1052 2.902,1053 3.434,1054 4.407,1056 7.168,1057 3.374,1058 7.097,1059 1,1060 8.688,1061 2.731,1062 5.733,1063 6.896,1064 0.05,1065 10.369,1066 5.661,1067 8.422,1068 0.689,1069 10.401,1070 2.091,1071 5.943,1072 7.614,1074 12.195,1075 5.842,1076 9.798,1077 0.337,1078 12.171,1079 1.386,1080 7.577,1081 9.512,1082 0.008,1083 14.877,1084 7.466,1085 11.211,1087 13.98,1088 0.65,1089 8.306,1090 10.675,1092 17.061,1093 8.167,1094 12.652,1095 -0.315,1096 15.814,1098 9.652,1099 12.344,1100 0.001,1101 19.576,1102 9.5,1103 3.226,1104 -0.445,1105 17.667,1106 -0.634,1107 10.629,1108 13.704,1110 21.902,1111 10.451,1112 2.532,1113 11.348,1114 19.533,1115 -1.091,1116 11.859,1117 15.281,1119 24.361,1120 11.665,1121 2.182,1122 8.37,1123 21.409,1124 4.564,1125 12.946,1126 16.728,1128 26.744,1129 12.728,1130 1.915,1131 6.711,1132 23.292,1133 3.437,1134 14.134,1135 18.268,1137 29.184,1138 13.898,1139 1.693,1140 3.849,1141 25.181,1142 2.893,1143 15.268,1144 19.754,1146 31.592,1147 15.01,1148 1.525,1149 3.482,1150 27.075,1151 2.142,1152 16.442,1153 21.28,1155 34.024,1156 16.164,1157 1.357,1158 3.329,1159 28.972,1160 1.926,1161 17.596,1162 22.783,1164 36.444,1165 17.296,1166 7603,1167 9929,1168 18.663,1169 36.438,1170 37.955,1171 38.356,1172 39.325,1173 38.126,1174 38.103,1175 46.622,1176 0.8,1177 100.123,1178 37.434,1179 5.597,1180 5.361,1181 6.81,1182 5.247,1183 5.226,1184 7.564,1185 0.8,1186 18.879,1187 5.162,1188 7.165,1189 1.406,1190 1.421,1191 1.456,1192 1.412,1193 1.411,1194 1.727,1195 0.03,1196 3.708,1197 1.386,1198 4.113,1199 4.144,1200 4.073,1201 4.041,1202 5.009,1203 4.045,1204 3.8,1205 3.866,1206 3.638,1207 3.678,1208 4.97,1209 3.659,1210 3.732,1211 3.781,1212 3.613,1213 3.648,1214 4.413,1215 3.633,1216 3.638,1217 3.716,1218 3.466,1219 3.485,1220 4.263,1221 3.469,1222 3.431,1223 3.52,1224 3.259,1225 3.247,1226 4.114,1227 3.238,1228 3.258,1229 3.333,1230 3.101,1231 3.12,1232 3.979,1233 3.106,1234 3.147,1235 3.229,1236 3.006,1237 2.97,1238 3.861,1239 2.967,1240 3.061,1241 3.159,1242 2.83,1243 2.849,1244 3.648,1245 2.83,1246 0.172,1247 0.124,1248 0.253,1249 0.156,1250 0.119,1251 4.64,1252 0.169,1253 3.361,1254 0.015,1255 6.829,1256 0.42,1257 4.207,1258 0.117,1259 3.226,1260 4.564,1261 0.4,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.438,1269 2.163,1270 1.805,1271 1.743,1272 2.054,1273 1.966,1274 1.411,1275 2,1276 1.754,1277 1.709,1278 1.95,1279 1.873,1280 1.246,1281 1.902,1282 1.649,1283 1.578,1284 1.916,1285 1.844,1286 1.145,1287 1.873,1288 1.426,1289 1.345,1290 1.719,1291 1.663,1292 0.987,1293 1.687,1294 1.261,1295 1.198,1296 1.515,1297 1.464,1298 0.76,1299 1.488,1300 1.138,1301 1.061,1302 1.447,1303 1.354,1304 0.701,1305 1.381,1306 1.079,1307 0.98,1308 1.4,1309 1.321,1310 0.601,1311 1.362,1312 4.007,1314 5.252,1316 6.72,1318 8.316,1320 9.99,1326 5.539,1328 15.898,1329 3.77,1340 32.966,1341 70.436,1342 164.267,1343 221.095,1344 271.789,1345 296.253,1346 307.763,1347 37.725,1348 7.215,1349 50.94,1350 50.94,1351 18,1352 12.297,1353 3.585,1354 2.7,1355 42.141,1356 99,1357 143,1358 0.198,1359 205.368,1360 350.08,1361 492.857,1362 13768,1364 17.322,1365 0.693,1366 0.621,1367 17.322,1368 15.526,1369 12.398,1370 0.459,1371 0.379,1372 10.195,1373 12.222,1374 10,1375 8.357,1376 12.398,1377 10.243,1378 9.933,1379 0.292,1380 0.215,1381 9.933,1382 7.327,1383 8.282,1384 0.184,1385 0.119,1386 8.282,1387 5.352,1388 7.011,1389 0.117,1390 0.066,1391 7.011,1392 3.941,1393 5.943,1394 0.075,1395 0.037,1396 5.943,1397 2.924,1398 0.319,1399 75.605,1400 0.231,1401 24.906,1402 0.516,1403 122,1404 225.29,1405 126.468,1406 228.719,1407 327.81,1408 218,1409 140,1410 249.93,1411 144.829,1412 255.996,1413 377.17,1414 245,1415 6.883}
{0 CHEMBL1083791,1 1.214,2 11.52,3 5.495,4 30.195,5 108.563,6 5.855,7 0.407,8 4.1,9 4.252,10 3.464,11 3.632,12 4.945,13 3.553,14 4.704,15 4.935,16 3.753,17 4.041,18 5.439,19 3.92,20 4.989,21 5.263,22 3.818,23 4.195,24 5.674,25 4.034,26 5.039,27 5.339,28 3.749,29 4.165,30 5.69,31 3.989,32 4.956,33 5.237,34 3.662,35 4.139,36 5.602,37 3.958,38 4.978,39 5.267,40 3.528,41 4.128,42 5.578,43 3.912,44 4.968,45 5.284,46 3.348,47 4.031,48 5.513,49 3.784,50 4.826,51 5.156,52 3.183,53 3.855,54 5.353,55 3.605,56 0.077,57 0.83,58 14.579,59 5.718,60 9.111,61 8.569,62 0.175,63 1.354,64 25.718,65 9.392,66 15.834,67 14.426,68 0.211,69 1.657,70 33.042,71 12.244,72 22.862,73 18.727,74 0.275,75 1.669,76 34.346,77 12.198,78 25.528,79 18.873,80 0.221,81 1.567,82 31.763,83 11.783,84 20.75,85 17.967,86 0.193,87 1.545,88 31.835,89 12.619,90 19.445,91 18.775,92 0.181,93 1.443,94 30.781,95 12.262,96 18.806,97 18.221,98 0.191,99 1.227,100 26.551,101 10.449,102 16.722,103 15.522,104 14,105 35,106 0.201,107 0.467,108 0.669,109 0.797,110 0.847,111 0.858,112 3.266,113 1.116,114 -4.75,115 -4.67,116 -4.39,121 37.9,123 9,126 2,127 2,144 4,145 2,146 1,148 2,176 12,180 5,185 3,187 12,192 5,197 3,200 8,206 3,209 1,211 5,214 9,219 1,224 3,227 12,232 2,237 1,239 14,244 1,251 12,256 1,259 1,264 10,269 1,277 8,281 1078,282 17.225,283 17.225,284 17.225,285 17.225,286 17.225,287 15.938,288 16.718,289 10.823,290 17.452,291 13.403,292 13.403,293 13.403,294 13.403,295 13.403,296 11.379,297 17.926,298 5.216,299 13.762,300 4.644,301 3.039,302 1.82,303 1.052,304 0.75,305 0.681,306 3.956,311 1,312 1,313 617,314 3.674,318 165.22,322 189.777,325 1.696,326 8.801,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 51.5,338 288,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.8,346 11.348,347 3.162,348 3.914,349 2.669,350 5.982,351 3.524,352 2.532,353 3.437,354 0.4,355 8.37,356 2.512,357 3.522,358 2.576,359 5.381,360 3.161,361 2.236,362 2.893,364 6.711,365 2.085,366 3.236,367 2.356,368 4.659,369 3.133,370 2.181,371 2.236,373 5.184,374 2.062,375 2.94,376 1.882,377 4.116,378 2.807,379 1.82,380 2.142,382 3.742,383 1.791,384 2.839,385 1.658,386 3.977,387 2.519,388 1.534,389 1.848,391 3.333,392 1.51,393 2.61,394 1.488,395 3.793,396 2.404,397 1.425,398 1.642,400 3.329,401 1.392,402 2.492,403 1.424,404 3.594,405 2.345,406 1.347,407 1.492,409 2.951,410 1.343,411 2.433,412 1.35,413 3.589,414 2.242,415 1.247,416 1.432,418 2.902,419 1.24,420 2.061,421 1.116,422 3.342,423 1.972,424 1,425 1.044,427 2.233,428 0.97,429 1.77,430 0.738,431 2.947,432 1.63,433 0.647,434 0.707,436 1.418,437 0.635,438 1.4,439 0.327,440 2.797,441 1.199,442 0.234,443 0.258,445 0.519,446 0.225,447 1.074,448 0.02,449 2.404,450 0.854,451 -0.11,452 -0.126,454 -0.266,455 -0.106,456 0.916,457 -0.368,458 2.388,459 0.538,460 -0.445,461 -0.556,463 -1.091,464 -0.436,465 0.621,466 -0.405,467 2,468 0.453,469 -0.518,470 -0.569,472 -1.169,473 -0.502,474 12.2,475 0.488,476 0.418,477 0.017,478 25.75,479 1.03,480 10.5,481 0.42,482 15.25,483 0.61,484 25.735,485 1.029,486 28.6,487 0.493,488 15.124,489 0.605,490 4.33,491 0.173,492 7.924,493 0.317,494 0.082,496 0.238,501 1.042,502 1.451,503 1.069,504 1.249,505 0.949,506 1.176,507 1.416,508 1.14,509 1.094,510 1.05,511 0.897,512 1.051,513 1.037,514 1.132,515 0.981,516 1.039,517 1.007,518 1.012,519 1.201,520 0.934,521 0.947,522 0.89,523 1.091,524 0.9,525 1.288,526 0.994,527 1.099,528 1.014,529 1.219,530 1.039,531 0.936,532 1.04,533 1.113,534 1.115,535 1.071,536 1.124,537 0.74,538 0.972,539 0.998,540 1.037,541 0.921,542 1.035,543 0.703,544 0.833,545 0.917,546 0.921,547 0.849,548 0.931,549 3,550 0.062,551 2,552 1.313,553 1.2,554 0.438,555 0.3,556 0.161,557 0.123,558 0.077,559 7639,560 12468,561 2.085,562 56.9,563 12,564 14,567 1,568 2,569 4,572 1.676,573 2,574 3.405,575 -0.435,582 70.436,583 1.214,584 2.819,585 4.038,586 4.806,587 5.108,588 5.177,589 2.809,590 4.084,591 4.606,592 3.66,593 1098.1,594 7.948,595 14020.5,600 339.763,601 1.164,602 4.597,603 0.111,604 0.004,605 0.057,606 0.036,607 0.036,608 0.015,609 0.012,610 0.008,611 0.007,612 0.005,613 0.292,614 0.5,615 1,616 2.149,617 123.114,618 0.075,619 -0.146,620 0.062,621 -0.036,622 0.119,623 0.004,624 -0.104,625 0.021,626 -0.018,627 0.017,628 0.105,629 0.008,630 0.03,631 -0.09,632 0.033,633 -0.022,634 0.089,635 0.001,636 0.033,637 0.069,638 0.058,639 0.068,640 0.064,641 0.065,642 -0.154,643 0.042,644 -0.088,645 -0.015,646 -0.161,647 -0.041,648 -0.111,649 -0.052,650 -0.138,651 -0.104,652 -0.176,653 -0.119,654 -0.026,655 -0.053,656 -0.057,657 -0.061,658 -0.093,659 -0.061,660 0.073,661 0.064,662 0.018,663 0.028,664 -0.019,665 0.021,666 0.519,667 1.925,668 0.56,669 25.664,670 0.975,671 1.133,672 3.524,673 12.42,674 0.628,675 3.332,676 3.584,677 3.829,678 4.111,679 4.382,680 4.443,681 4.564,682 4.654,683 4.7,684 4.533,685 6.909,686 0.568,687 339.58,688 3.332,689 4.828,690 5.652,691 6.509,692 7.366,693 8.241,694 9.116,695 10.003,696 10.889,697 11.782,698 5.2,701 1,703 1,708 1,714 2,715 4,716 1,720 3,722 11,734 1,741 58,743 11,744 1,745 27,747 60,748 22,749 9,750 2,751 4,756 3,757 6,767 4,770 9,772 9,773 13,793 33,794 3,795 1,796 3,802 3,808 0.333,822 1,829 3,833 2,855 1,859 1,864 2,868 25,876 11,877 1,881 1,901 12.5,902 10.733,903 5.694,904 4.038,907 2.416,908 1.335,909 0.967,910 6.834,911 9.631,912 3.512,913 4.034,914 4.62,915 5.242,916 5.856,917 6.185,918 6.563,919 6.904,920 7.198,921 7.002,922 1,923 36,924 9.312,926 3.768,927 0.026,929 7.273,931 19.014,933 15.738,936 1.773,937 44.333,938 0.001,941 376.675,942 95.136,943 37.921,948 95.136,949 376.675,950 37.921,951 16.793,952 27.022,953 37.905,954 34.796,955 16.54,957 376.675,959 376.675,960 133.057,964 329.591,965 47.084,968 35.047,969 63.213,970 34.796,972 376.675,973 37.921,974 95.136,977 376.675,978 40.438,979 57.822,980 18.011,981 16.786,982 376.675,983 37.921,984 95.136,986 0.555,987 0.307,988 0.175,989 0.101,990 15,991 6,992 0.15,993 9,994 2,995 1.286,996 3.846,997 193.949,998 0.286,999 14,1000 114.096,1005 18.353,1006 9.31,1007 5.025,1008 2.448,1009 37.921,1010 8.609,1011 4.925,1015 4.181,1017 18.011,1018 509.732,1019 32.5,1031 56.559,1032 65.723,1034 0.207,1035 0.481,1036 0.689,1037 0.82,1038 0.872,1039 0.884,1040 4.716,1041 1.347,1042 5.587,1043 3.329,1044 4.263,1045 4.718,1046 0.824,1047 6.354,1048 4.212,1049 5.861,1050 1.247,1051 7.104,1052 2.951,1053 3.611,1054 4.477,1055 0.325,1056 7.222,1057 3.514,1058 7.138,1059 1,1060 8.737,1061 2.902,1062 5.778,1063 6.91,1064 0.413,1065 10.392,1066 5.681,1067 8.463,1068 0.647,1069 10.448,1070 2.233,1071 6.043,1072 7.633,1073 0.268,1074 12.208,1075 5.91,1076 9.836,1077 0.234,1078 12.211,1079 1.418,1080 7.62,1081 9.519,1082 0.246,1083 14.884,1084 7.485,1085 11.243,1086 -0.11,1087 14.012,1088 0.519,1089 8.36,1090 10.681,1091 0.188,1092 17.064,1093 8.199,1094 12.679,1095 -0.445,1096 15.84,1097 -0.266,1098 9.683,1099 12.346,1100 0.157,1101 19.578,1102 9.513,1103 3.226,1104 -0.518,1105 17.686,1106 -1.091,1107 10.657,1108 13.705,1109 0.125,1110 21.902,1111 10.466,1112 2.532,1113 11.348,1114 19.548,1115 -1.169,1116 11.878,1117 15.281,1118 0.102,1119 24.361,1120 11.673,1121 2.236,1122 8.37,1123 21.419,1124 4.564,1125 12.961,1126 16.728,1127 0.082,1128 26.744,1129 12.735,1130 2.181,1131 6.711,1132 23.3,1133 3.437,1134 14.144,1135 18.268,1136 0.067,1137 29.184,1138 13.902,1139 1.82,1140 5.184,1141 25.186,1142 2.893,1143 15.276,1144 19.754,1145 0.054,1146 31.592,1147 15.013,1148 1.534,1149 3.742,1150 27.079,1151 2.236,1152 16.447,1153 21.28,1154 0.043,1155 34.024,1156 16.166,1157 1.425,1158 3.333,1159 28.975,1160 2.142,1161 17.6,1162 22.783,1163 0.035,1164 36.444,1165 17.298,1166 7511,1167 9737,1168 18.375,1169 36.438,1170 38.827,1171 38.904,1172 39.79,1173 38.908,1174 38.858,1175 47.387,1176 2.4,1177 104.08,1178 37.853,1179 5.596,1180 5.361,1181 6.719,1182 5.247,1183 5.226,1184 7.564,1185 1.2,1186 18.879,1187 5.162,1188 9.863,1189 1.438,1190 1.441,1191 1.474,1192 1.441,1193 1.439,1194 1.755,1195 0.089,1196 3.855,1197 1.402,1198 4.113,1199 4.144,1200 4.073,1201 4.04,1202 4.972,1203 4.045,1204 3.794,1205 3.865,1206 3.638,1207 3.661,1208 4.414,1209 3.646,1210 3.732,1211 3.781,1212 3.613,1213 3.644,1214 4.346,1215 3.629,1216 3.627,1217 3.712,1218 3.465,1219 3.436,1220 4.247,1221 3.431,1222 3.419,1223 3.509,1224 3.25,1225 3.222,1226 4.035,1227 3.218,1228 3.247,1229 3.317,1230 3.09,1231 3.111,1232 3.969,1233 3.096,1234 3.14,1235 3.22,1236 2.996,1237 2.969,1238 3.755,1239 2.965,1240 3.026,1241 3.124,1242 2.778,1243 2.83,1244 3.548,1245 2.803,1246 0.172,1247 0.124,1248 0.253,1249 0.156,1250 0.119,1251 4.64,1252 0.169,1253 3.361,1254 0.03,1255 6.829,1256 0.42,1257 4.207,1258 0.117,1259 3.226,1260 4.564,1261 0.8,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.437,1269 2.163,1270 1.789,1271 1.725,1272 2.037,1273 1.965,1274 1.39,1275 1.992,1276 1.754,1277 1.708,1278 1.949,1279 1.873,1280 1.182,1281 1.902,1282 1.613,1283 1.533,1284 1.881,1285 1.841,1286 1.132,1287 1.861,1288 1.41,1289 1.324,1290 1.716,1291 1.65,1292 0.898,1293 1.678,1294 1.257,1295 1.193,1296 1.514,1297 1.441,1298 0.758,1299 1.472,1300 1.136,1301 1.06,1302 1.446,1303 1.35,1304 0.691,1305 1.381,1306 1.059,1307 0.962,1308 1.417,1309 1.291,1310 0.601,1311 1.336,1312 4.007,1314 5.273,1316 6.749,1318 8.344,1320 10.013,1322 4.313,1328 13.805,1329 3.777,1333 2.277,1340 32.966,1341 70.436,1342 163.505,1343 234.195,1344 278.743,1345 296.253,1346 300.253,1347 35.88,1348 7.215,1349 28.16,1350 28.16,1351 18,1352 12.311,1353 3.585,1354 2.7,1355 42.107,1356 98,1357 122,1358 0.2,1359 205.368,1360 350.08,1361 492.857,1362 13689,1364 17.485,1365 0.699,1366 0.639,1367 17.485,1368 15.982,1369 12.254,1370 0.454,1371 0.372,1372 9.97,1373 12.004,1374 9.664,1375 8.12,1376 12.254,1377 10.046,1378 10.409,1379 0.297,1380 0.218,1381 10.409,1382 7.634,1383 8.21,1384 0.182,1385 0.117,1386 8.21,1387 5.253,1388 6.96,1389 0.116,1390 0.065,1391 6.96,1392 3.871,1393 5.907,1394 0.075,1395 0.036,1396 5.907,1397 2.874,1398 0.322,1399 75.168,1400 0.233,1401 24.818,1402 0.525,1403 124,1404 237.623,1405 129.19,1406 239.842,1407 340.75,1408 228,1409 142,1410 256.915,1411 148.162,1412 266.673,1413 388.91,1414 251,1415 7.284}
{0 CHEMBL1083972,1 1.597,2 7,3 1.517,4 2.301,5 69.609,6 7.568,7 0.524,8 3.643,9 3.759,10 3.224,11 3.174,12 4.782,13 3.168,14 4.183,15 4.354,16 3.615,17 3.575,18 5.303,19 3.551,20 4.339,21 4.523,22 3.707,23 3.674,24 5.48,25 3.647,26 4.408,27 4.592,28 3.646,29 3.626,30 5.678,31 3.592,32 4.386,33 4.611,34 3.357,35 3.516,36 5.455,37 3.438,38 4.212,39 4.453,40 3.189,41 3.341,42 5.364,43 3.231,44 4.059,45 4.308,46 2.814,47 3.103,48 5.029,49 2.969,50 3.88,51 4.151,52 2.402,53 2.767,54 4.832,55 2.614,56 0.041,57 0.51,58 6.76,59 3.017,60 7.608,61 3.872,62 0.257,63 0.811,64 13.455,65 5.229,66 24.618,67 6.993,68 0.128,69 0.97,70 15.433,71 5.573,72 18.412,73 7.83,74 0.391,75 0.972,76 17.474,77 5.539,78 51.824,79 7.494,80 0.328,81 0.89,82 18.179,83 5.469,84 41.64,85 7.643,86 0.343,87 0.721,88 15.375,89 5.182,90 42.972,91 7.52,92 0.196,93 0.572,94 13.658,95 4.638,96 28.467,97 6.452,98 0.216,99 0.441,100 12.018,101 3.557,102 31.117,103 5.015,104 19,105 31,106 0.295,107 0.663,108 0.813,109 0.845,110 0.845,111 0.845,112 3.013,113 0.898,114 -3.08,115 -3.08,116 -2.96,121 41.2,122 1,123 3,126 1,144 1,145 3,146 1,148 2,151 1,160 1,165 1,166 1,167 1,176 5,179 2,180 8,185 2,187 6,189 2,192 6,197 2,200 3,203 2,205 2,206 8,208 2,209 2,211 3,214 5,216 3,219 2,227 3,231 2,232 2,234 2,235 2,237 1,239 4,241 1,244 2,251 2,256 4,281 346,282 12.732,283 12.732,284 12.732,285 12.732,286 12.732,287 11.275,288 12.729,289 7.181,290 13.015,291 10.255,292 10.255,293 10.255,294 10.255,295 10.255,296 7.856,297 9.098,298 3.285,299 10.593,300 3.49,301 1.501,302 0.691,303 0.515,304 0.515,305 0.515,306 3.684,311 1,312 1,313 286,314 2.739,317 34.821,318 68.819,321 56.396,322 58.885,325 1.053,326 22.216,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 41.5,338 133,339 4.677,340 3.682,341 6.803,342 4.233,343 3.256,344 4.617,345 1.674,346 11.178,347 3.181,348 4.25,349 3.344,350 6.391,351 3.897,352 2.91,353 3.802,355 9.677,356 2.865,357 3.793,358 2.797,359 5.929,360 3.408,361 2.426,362 3.217,364 8.13,365 2.377,366 3.515,367 2.414,368 5.315,369 3.073,370 2.125,371 2.904,373 6.464,374 2.006,375 3.182,376 2.142,377 4.821,378 2.763,379 1.805,380 2.347,382 4.955,383 1.715,384 2.636,385 1.498,386 4.191,387 2.228,388 1.258,389 1.66,391 3.443,392 1.214,393 2.248,394 1.46,395 3.669,396 2.105,397 1.127,398 1.228,400 2.588,401 1.098,402 1.833,403 1.252,404 3.465,405 1.661,406 0.689,407 0.755,409 1.772,410 0.667,411 1.496,412 0.986,413 3.073,414 1.208,415 0.302,416 0.339,418 0.512,419 0.27,420 1.364,421 0.367,422 2.669,423 0.924,424 -0.058,425 -0.077,427 -0.121,428 -0.056,429 1.036,430 -0.087,431 2.59,432 0.672,433 -0.28,434 -0.354,436 -0.727,437 -0.266,438 0.622,439 -0.245,440 2.289,441 0.186,442 -0.789,443 -1.042,445 -2.176,446 -0.761,447 0.248,448 -0.724,449 1.872,450 -0.088,451 -1.082,452 -1.384,454 -2.826,455 -1.073,456 -0.052,457 -0.94,458 1.544,459 -0.323,460 -1.282,461 -1.504,463 -3.228,464 -1.229,465 -0.081,466 -1.047,467 1.433,468 -0.415,469 -1.375,470 -1.724,472 -3.552,473 -1.264,474 8.867,475 0.467,476 0.559,477 0.029,478 24.5,479 1.289,480 12,481 0.632,482 12.5,483 0.658,484 14.319,485 0.754,486 20.533,487 0.604,488 16.351,489 0.861,490 4.685,491 0.247,492 4.429,493 0.233,494 0.195,496 0.451,501 0.794,502 1.24,503 0.763,504 1.068,505 0.707,506 0.927,507 0.716,508 0.994,509 0.669,510 0.822,511 0.504,512 0.757,513 0.788,514 1.368,515 0.819,516 1.113,517 0.715,518 0.982,519 1.221,520 1.097,521 1.15,522 1.065,523 1.439,524 1.086,525 1.379,526 1.017,527 1.266,528 1.012,529 1.331,530 1.087,531 0.576,532 0.897,533 0.998,534 1.077,535 0.567,536 1.106,537 1.112,538 1.031,539 1.127,540 1.172,541 1.192,542 1.167,543 1.418,544 0.872,545 1.263,546 1.081,547 1.494,548 1.135,549 4,551 2.889,552 1.688,553 1.6,554 0.709,555 0.43,556 0.196,557 0.083,558 0.025,559 2850,560 7724,561 2.05,562 44.1,563 4,564 4,567 2,568 5,572 1.609,573 1.869,574 2.834,575 0.393,577 1,578 1,579 1,582 54.313,583 1.597,584 3.587,585 4.396,586 4.572,587 4.572,588 4.572,589 2.294,590 4.248,591 4.221,592 2.912,593 497.999,594 7.217,595 4676.62,596 1,597 1,599 1,600 172.974,601 1.529,602 4.153,603 0.19,605 0.093,606 0.051,607 0.055,608 0.034,609 0.025,610 0.018,611 0.014,612 0.012,613 0.493,614 0.67,615 1,616 1.144,617 79.882,618 -0.072,619 -0.053,620 0.039,622 -0.082,623 0.039,624 0.162,625 0.066,626 0.228,627 0.214,628 0.151,629 0.225,630 -0.038,631 -0.268,632 0.067,633 -0.123,634 0.036,635 -0.025,636 -0.047,637 -0.01,638 -0.201,639 -0.138,640 -0.098,641 -0.193,642 -0.286,643 -0.01,644 -0.287,645 -0.087,646 -0.25,647 -0.163,648 0.288,649 0.064,650 -0.027,651 -0.114,652 0.267,653 -0.126,654 -0.099,655 -0.172,656 -0.121,657 -0.19,658 -0.111,659 -0.165,660 -0.197,661 -0.046,662 -0.197,663 -0.155,664 -0.224,665 -0.165,666 2.063,667 4.7,668 0.684,669 11.507,670 1.008,671 1.13,672 1.85,673 3.424,674 0.662,675 3.091,676 3.466,677 3.807,678 4.094,679 4.317,680 4.489,681 4.595,682 4.718,683 4.682,684 4.522,685 4.277,686 0.637,687 257.32,688 3.091,689 4.654,690 5.541,691 6.45,692 7.356,693 8.271,694 9.181,695 10.099,696 11.012,697 11.931,698 8.8,702 1,708 2,714 2,715 1,716 2,720 5,722 11,732 1,733 1,741 34,743 12,745 21,747 36,748 14,749 8,752 1,756 3,757 6,763 1,767 3,770 3,772 9,773 5,777 1,782 1,786 1,790 1,793 15,794 5,795 2,796 5,802 3,808 0.333,809 2,822 2,828 1,829 2,832 1,833 1,859 1,864 2,868 19,869 1,876 3,878 1,893 5.9,896 1,898 1,901 10.167,902 6.9,903 4.167,904 2.075,907 2.498,908 1.367,909 0.998,910 2.811,911 9.305,912 3.35,913 4.034,914 4.71,915 5.348,916 5.981,917 6.444,918 6.844,919 7.248,920 7.52,921 7.47,922 0.8,923 33,924 7.024,926 3.033,927 0.026,929 7.833,931 13.335,933 11.102,936 2.333,937 44.333,938 0.001,941 153.024,942 62.909,943 66.468,945 36.145,948 62.909,949 189.169,950 66.468,951 19.708,952 7.604,953 42.373,954 65.907,955 29.93,957 153.024,959 153.024,960 129.377,961 36.145,964 154.74,965 36.145,968 21.942,969 72.149,970 33.571,972 153.024,973 102.613,974 62.909,977 153.024,978 33.725,979 29.185,981 102.613,982 153.024,983 102.613,984 62.909,986 0.594,987 0.372,988 0.2,989 0.102,990 17,991 8,992 0.056,993 2,994 2,995 1.308,996 3.005,997 148.87,998 0.308,999 13,1000 80.711,1005 12.215,1006 4.373,1007 1.825,1008 1.356,1009 102.613,1010 1.741,1011 8.951,1015 3.914,1017 32.897,1018 318.546,1019 27.5,1024 11.7,1028 -0.396,1031 34.262,1032 38.405,1034 0.314,1035 0.705,1036 0.864,1037 0.899,1038 0.899,1039 0.899,1040 4.613,1041 0.689,1042 5.565,1043 2.588,1044 4.143,1045 4.718,1046 1.888,1047 6.45,1048 4.085,1049 5.864,1050 0.302,1051 7.179,1052 1.772,1053 3.892,1054 4.796,1056 7.483,1057 3.825,1058 7.218,1059 -0.058,1060 8.891,1061 0.512,1062 5.814,1063 7.062,1064 2.817,1065 10.615,1066 5.713,1067 8.611,1068 -0.28,1069 10.658,1070 -0.121,1071 6.365,1072 7.927,1074 12.424,1075 6.255,1076 10.034,1077 -0.789,1078 12.458,1079 -0.727,1080 7.787,1081 9.723,1082 3.808,1083 15.085,1084 7.649,1085 11.477,1086 -1.082,1087 14.28,1088 -2.176,1089 8.682,1090 10.934,1092 17.213,1093 8.531,1094 12.937,1095 -1.282,1096 16.117,1097 -2.826,1098 9.928,1099 12.558,1100 4.825,1101 19.708,1102 9.752,1103 3.256,1104 -1.375,1105 17.967,1106 -3.228,1107 10.972,1108 13.933,1110 21.98,1111 10.779,1112 2.91,1113 11.178,1114 19.825,1115 -3.552,1116 12.157,1117 15.49,1118 5.851,1119 24.412,1120 11.94,1121 2.426,1122 9.677,1123 21.69,1124 4.617,1125 13.267,1126 16.943,1128 26.75,1129 13.029,1130 2.125,1131 8.13,1132 23.561,1133 3.802,1134 14.433,1135 18.476,1136 6.88,1137 29.161,1138 14.172,1139 1.805,1140 6.464,1141 25.436,1142 3.217,1143 15.572,1144 19.966,1146 31.531,1147 15.289,1148 1.258,1149 4.955,1150 27.316,1151 2.904,1152 16.735,1153 21.492,1154 7.91,1155 33.935,1156 16.428,1157 1.127,1158 3.443,1159 29.2,1160 2.347,1161 17.888,1162 23,1164 36.323,1165 17.558,1166 2857,1167 4793,1168 13.641,1169 22.495,1170 31.799,1171 33.635,1172 34.174,1173 31.75,1174 31.793,1175 41.738,1176 3.349,1177 97.438,1178 30.788,1179 5.498,1180 5.682,1181 6.347,1182 5.292,1183 5.256,1184 7.617,1185 3.349,1186 18.726,1187 5.163,1188 10.076,1189 1.514,1190 1.602,1191 1.627,1192 1.512,1193 1.514,1194 1.988,1195 0.159,1196 4.64,1197 1.466,1198 4.115,1199 4.146,1200 4.087,1201 4.023,1202 7.433,1203 4.034,1204 3.763,1205 3.798,1206 3.691,1207 3.66,1208 5.164,1209 3.661,1210 3.423,1211 3.455,1212 3.332,1213 3.219,1214 4.842,1215 3.23,1216 3.284,1217 3.36,1218 3.135,1219 3.035,1220 4.509,1221 3.056,1222 3.036,1223 3.131,1224 2.911,1225 2.8,1226 4.376,1227 2.813,1228 2.988,1229 3.079,1230 2.751,1231 2.75,1232 3.913,1233 2.737,1234 2.741,1235 2.835,1236 2.57,1237 2.496,1238 3.84,1239 2.505,1240 2.645,1241 2.72,1242 2.385,1243 2.382,1244 3.419,1245 2.375,1246 0.223,1247 0.175,1248 0.324,1249 0.202,1250 0.155,1251 4.677,1252 0.22,1253 3.682,1254 0.08,1255 6.803,1256 0.532,1257 4.233,1258 0.151,1259 3.256,1260 4.617,1261 1.674,1262 11.178,1263 3.181,1264 2.012,1265 1.988,1266 2.059,1267 2.123,1268 1.226,1269 2.105,1270 1.587,1271 1.558,1272 1.832,1273 1.748,1274 1.165,1275 1.771,1276 1.553,1277 1.488,1278 1.729,1279 1.728,1280 0.9,1281 1.732,1282 1.244,1283 1.188,1284 1.593,1285 1.566,1286 0.598,1287 1.572,1288 1.137,1289 1.066,1290 1.441,1291 1.34,1292 0.577,1293 1.377,1294 0.887,1295 0.829,1296 1.213,1297 1.26,1298 0.176,1299 1.261,1300 0.848,1301 0.736,1302 1.015,1303 1.134,1305 1.107,1306 0.491,1307 0.416,1308 0.764,1309 0.827,1311 0.812,1312 3.761,1314 5.118,1315 2.398,1316 6.683,1317 4.595,1318 8.35,1319 6.605,1320 10.073,1322 3.132,1326 6.199,1328 2.978,1330 4.758,1340 21.655,1341 54.313,1342 121.954,1343 149.464,1344 155.464,1345 155.464,1346 155.464,1347 29.063,1348 6.807,1349 78.1,1350 78.1,1351 17,1352 12.442,1353 3.7,1354 2.907,1355 27.642,1356 50,1357 49,1358 0.296,1359 133.694,1360 226.62,1361 317.973,1362 6707,1364 13.569,1365 0.714,1366 0.578,1367 13.569,1368 10.987,1369 9.113,1370 0.434,1371 0.299,1372 6.189,1373 8.735,1374 5.98,1375 4.963,1376 9.113,1377 6.284,1378 8.372,1379 0.27,1380 0.154,1381 8.372,1382 4.788,1383 7.604,1384 0.173,1385 0.083,1386 7.604,1387 3.643,1388 6.334,1389 0.107,1390 0.044,1391 6.334,1392 2.624,1393 4.804,1394 0.065,1395 0.022,1396 4.804,1397 1.629,1398 0.437,1399 57.478,1400 0.271,1401 18.339,1402 0.897,1403 104,1404 314.074,1405 114.393,1406 301.453,1407 414.85,1408 282,1409 127,1410 308.661,1411 137.313,1412 314.009,1413 464.31,1414 294,1415 5.721}
{0 CHEMBL1083973,1 1.508,2 8.409,3 2.778,4 7.717,5 83.559,6 6.963,7 0.458,8 3.847,9 3.973,10 3.354,11 3.374,12 4.898,13 3.344,14 4.413,15 4.601,16 3.725,17 3.77,18 5.445,19 3.714,20 4.677,21 4.893,22 3.907,23 3.963,24 5.671,25 3.907,26 4.748,27 4.958,28 3.845,29 3.944,30 5.879,31 3.865,32 4.72,33 4.965,34 3.644,35 3.829,36 5.745,37 3.741,38 4.536,39 4.766,40 3.511,41 3.718,42 5.633,43 3.599,44 4.51,45 4.775,46 3.199,47 3.584,48 5.388,49 3.429,50 4.348,51 4.631,52 2.964,53 3.351,54 5.187,55 3.182,56 0.024,57 0.626,58 9.546,59 4.041,60 6.593,61 5.514,62 0.221,63 1,64 18.145,65 6.954,66 23.926,67 9.77,68 0.182,69 1.277,70 24.116,71 8.334,72 24.987,73 12.191,74 0.365,75 1.332,76 26.262,77 8.527,78 52.45,79 12.46,80 0.397,81 1.214,82 26.573,83 7.59,84 53.281,85 11.392,86 0.35,87 1.047,88 21.295,89 7.156,90 49.14,91 10.676,92 0.239,93 0.93,94 21.383,95 7.064,96 33.728,97 10.405,98 0.196,99 0.742,100 18.457,101 6.154,102 28.91,103 9.024,104 20,105 34,106 0.265,107 0.595,108 0.786,109 0.842,110 0.858,111 0.858,112 3.148,113 0.984,114 -3.83,115 -3.79,116 -3.6,121 39.5,122 2,123 5,127 1,144 1,145 3,146 1,148 2,151 1,160 1,165 1,166 1,167 1,176 7,179 2,180 9,185 2,187 8,189 2,192 6,197 2,200 8,203 2,205 2,206 11,208 2,209 2,211 3,214 6,216 3,219 2,224 2,227 6,229 2,231 2,232 5,234 2,235 2,237 1,239 8,241 1,244 2,251 4,256 5,261 1,264 3,266 1,269 4,277 1,281 550,282 14.853,283 14.853,284 14.853,285 14.853,286 14.853,287 13.396,288 13.807,289 8.786,290 15.175,291 11.793,292 11.793,293 11.793,294 11.793,295 11.793,296 9.416,297 8.79,298 4.078,299 12.211,300 3.918,301 2.042,302 0.954,303 0.64,304 0.547,305 0.547,306 3.828,310 1,311 1,312 1,313 393,314 2.915,318 75.846,319 55.071,322 64.874,323 78.427,325 1.355,326 24.376,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 47.5,338 185,339 4.674,340 3.689,341 6.801,342 4.226,343 3.249,344 4.615,345 1.674,346 11.171,347 3.174,348 4.245,349 3.328,350 6.392,351 3.89,352 2.904,353 3.798,355 9.686,356 2.857,357 3.782,358 2.786,359 5.923,360 3.394,361 2.414,362 3.207,364 8.116,365 2.362,366 3.52,367 2.413,368 5.319,369 3.093,370 2.143,371 2.906,373 6.486,374 2.028,375 3.203,376 2.183,377 4.847,378 2.808,379 1.856,380 2.369,382 5.095,383 1.757,384 2.701,385 1.813,386 4.246,387 2.599,388 1.602,389 1.738,391 3.719,392 1.596,393 2.638,394 1.616,395 3.808,396 2.358,397 1.399,398 1.645,400 3.354,401 1.335,402 2.211,403 1.592,404 3.697,405 2.064,406 1.109,407 1.191,409 2.571,410 1.051,411 2.07,412 1.255,413 3.243,414 1.809,415 0.827,416 0.968,418 1.487,419 0.8,420 1.478,421 0.481,422 2.916,423 1.147,424 0.191,425 0.227,427 0.477,428 0.182,429 1.344,430 0.298,431 2.739,432 1.033,433 0.047,434 0.057,436 0.117,437 0.046,438 0.803,439 0.179,440 2.563,441 0.664,442 -0.322,443 -0.343,445 -0.725,446 -0.316,447 0.774,448 -0.121,449 2.343,450 0.467,451 -0.489,452 -0.601,454 -0.927,455 -0.467,456 0.667,457 -0.349,458 2.101,459 0.394,460 -0.59,461 -0.683,463 -1.278,464 -0.57,465 0.466,466 -0.712,467 1.829,468 0.098,469 -0.901,470 -1.22,472 -2.619,473 -0.896,474 10.367,475 0.471,476 0.559,477 0.025,478 26,479 1.182,480 12,481 0.545,482 14,483 0.636,484 19.98,485 0.908,486 24.433,487 0.568,488 17.742,489 0.806,490 4.639,491 0.211,492 5.974,493 0.272,494 0.167,496 0.386,501 0.785,502 1.285,503 0.847,504 1.141,505 0.711,506 1.018,507 0.667,508 1.125,509 0.766,510 1.007,511 0.474,512 0.922,513 0.914,514 1.125,515 0.783,516 0.917,517 0.699,518 0.839,519 1.047,520 1.227,521 1.112,522 1.187,523 1.192,524 1.161,525 1.539,526 0.914,527 1.162,528 0.839,529 1.659,530 0.916,531 0.669,532 1.134,533 1.122,534 1.209,535 0.687,536 1.222,537 1.072,538 0.959,539 1.143,540 1.068,541 1.091,542 1.104,543 1.021,544 0.936,545 0.997,546 1.024,547 1.063,548 1.015,549 4,550 0.02,551 2.889,552 2.063,553 1.68,554 0.951,555 0.495,556 0.332,557 0.132,558 0.065,559 4317,560 10121,561 2.043,562 48.8,563 8,564 3,567 2,568 5,569 3,572 1.65,573 1.886,574 3.056,575 0.304,576 1,577 1,579 1,582 64.849,583 1.508,584 3.384,585 4.472,586 4.787,587 4.88,588 4.88,589 2.556,590 4.278,591 4.429,592 3.156,593 729.044,594 7.634,595 7642.03,597 1,599 1,600 233.329,601 1.495,602 4.376,603 0.167,604 0.005,605 0.085,606 0.05,607 0.048,608 0.033,609 0.021,610 0.02,611 0.01,612 0.008,613 0.446,614 0.67,615 1,616 1.258,617 98.778,618 -0.044,619 -0.048,620 0.043,621 -0.002,622 -0.061,623 0.032,624 0.205,625 -0.039,626 0.171,627 0.06,628 0.182,629 0.099,630 -0.031,631 -0.057,632 0.172,633 0.098,634 0.044,635 0.156,636 0.044,637 -0.144,638 -0.135,639 -0.214,640 0.029,641 -0.208,642 -0.276,643 0.107,644 -0.144,645 0.078,646 -0.264,647 0.006,648 0.204,649 -0.076,650 -0.167,651 -0.23,652 0.183,653 -0.251,654 -0.13,655 -0.015,656 -0.168,657 -0.107,658 -0.149,659 -0.132,660 -0.048,661 -0.071,662 -0.01,663 -0.064,664 -0.058,665 -0.035,666 2.024,667 5.041,668 0.682,669 16.091,670 0.998,671 1.131,672 2.599,673 6.755,674 0.646,675 3.219,676 3.555,677 3.871,678 4.159,679 4.431,680 4.625,681 4.691,682 4.844,683 4.905,684 4.86,685 4.938,686 0.61,687 299.41,688 3.219,689 4.762,690 5.631,691 6.526,692 7.419,693 8.325,694 9.226,695 10.137,696 11.042,697 11.956,698 7,702 1,708 2,714 2,715 1,716 2,720 5,722 11,732 1,733 1,741 43,743 12,745 24,747 45,748 17,749 8,752 1,756 3,757 6,763 2,767 5,770 5,772 9,773 8,777 1,782 1,786 1,789 1,790 1,793 21,794 5,795 2,796 5,802 3,808 0.333,809 2,822 2,829 2,830 1,833 1,834 1,859 1,864 2,868 22,869 1,876 6,878 1,893 4.7,896 1,898 1,901 11.667,902 8.4,903 4.917,904 2.992,907 2.478,908 1.347,909 0.978,910 4.191,911 9.612,912 3.45,913 4.086,914 4.736,915 5.371,916 6.012,917 6.478,918 6.869,919 7.284,920 7.599,921 7.6,922 0.833,923 41,924 8.178,926 3.478,927 0.026,929 7.72,931 15.784,933 13.071,936 2.22,937 48.833,941 223.651,942 70.513,943 66.468,945 36.145,948 70.513,949 259.796,950 66.468,951 17.65,952 17.265,953 42.373,954 65.907,955 29.93,957 223.651,959 223.651,960 136.981,961 36.145,964 190.053,965 71.458,968 40.429,969 61.266,970 33.571,972 223.651,973 102.613,974 70.513,977 223.651,978 43.386,979 27.127,981 102.613,982 223.651,983 102.613,984 70.513,986 0.578,987 0.352,988 0.198,989 0.109,990 17,991 8,992 0.067,993 3,994 2,995 1.267,996 3.271,997 179.451,998 0.267,999 15,1000 98.107,1005 15.079,1006 6.115,1007 2.778,1008 1.387,1009 102.613,1010 1.781,1011 9.187,1015 4.02,1017 32.897,1018 396.777,1019 30.5,1024 12.041,1028 -0.358,1031 42.912,1032 48.651,1034 0.278,1035 0.624,1036 0.824,1037 0.882,1038 0.899,1039 0.899,1040 4.698,1041 1.109,1042 5.631,1043 3.354,1044 4.234,1045 4.771,1046 1.888,1047 6.491,1048 4.175,1049 5.922,1050 0.827,1051 7.223,1052 2.571,1053 3.892,1054 4.796,1056 7.483,1057 3.825,1058 7.259,1059 0.191,1060 8.92,1061 1.487,1062 5.866,1063 7.078,1064 2.817,1065 10.628,1066 5.762,1067 8.637,1068 0.047,1069 10.676,1070 0.477,1071 6.347,1072 7.922,1074 12.421,1075 6.235,1076 10.049,1077 -0.322,1078 12.469,1079 0.117,1080 7.804,1081 9.724,1082 3.808,1083 15.087,1084 7.662,1085 11.484,1086 -0.489,1087 14.287,1088 -0.725,1089 8.663,1090 10.929,1092 17.21,1093 8.508,1094 12.938,1095 -0.59,1096 16.121,1097 -0.927,1098 9.924,1099 12.555,1100 4.825,1101 19.707,1102 9.743,1103 3.249,1104 -0.901,1105 17.968,1106 -1.278,1107 10.951,1108 13.928,1110 21.976,1111 10.753,1112 2.904,1113 11.171,1114 19.825,1115 -2.619,1116 12.141,1117 15.486,1118 5.851,1119 24.409,1120 11.919,1121 2.414,1122 9.686,1123 21.689,1124 4.615,1125 13.243,1126 16.938,1128 26.746,1129 13,1130 2.143,1131 8.116,1132 23.559,1133 3.798,1134 14.41,1135 18.471,1136 6.88,1137 29.156,1138 14.143,1139 1.856,1140 6.486,1141 25.434,1142 3.207,1143 15.545,1144 19.961,1146 31.526,1147 15.256,1148 1.602,1149 5.095,1150 27.313,1151 2.906,1152 16.706,1153 21.486,1154 7.91,1155 33.929,1156 16.393,1157 1.399,1158 3.719,1159 29.196,1160 2.369,1161 17.857,1162 22.994,1164 36.316,1165 17.521,1166 4311,1167 6729,1168 15.72,1169 27.779,1170 35.774,1171 36.896,1172 37.717,1173 35.483,1174 35.484,1175 45.442,1176 3.349,1177 104.56,1178 34.377,1179 5.561,1180 5.689,1181 6.57,1182 5.285,1183 5.249,1184 7.615,1185 3.349,1186 18.717,1187 5.158,1188 11.277,1189 1.491,1190 1.537,1191 1.572,1192 1.478,1193 1.478,1194 1.893,1195 0.14,1196 4.357,1197 1.432,1198 4.106,1199 4.138,1200 4.078,1201 4.013,1202 7.433,1203 4.025,1204 3.78,1205 3.823,1206 3.691,1207 3.674,1208 5.161,1209 3.67,1210 3.558,1211 3.603,1212 3.439,1213 3.366,1214 4.842,1215 3.373,1216 3.416,1217 3.487,1218 3.259,1219 3.249,1220 4.476,1221 3.238,1222 3.277,1223 3.357,1224 3.115,1225 3.117,1226 4.362,1227 3.102,1228 3.131,1229 3.192,1230 2.968,1231 2.927,1232 4.027,1233 2.917,1234 2.989,1235 3.064,1236 2.848,1237 2.808,1238 3.854,1239 2.827,1240 2.933,1241 3.033,1242 2.738,1243 2.608,1244 3.64,1245 2.633,1246 0.195,1247 0.154,1248 0.283,1249 0.176,1250 0.135,1251 4.674,1252 0.192,1253 3.689,1254 0.07,1255 6.801,1256 0.465,1257 4.226,1258 0.132,1259 3.249,1260 4.615,1261 1.674,1262 11.171,1263 3.174,1264 2.028,1265 2.003,1266 2.082,1267 2.138,1268 1.325,1269 2.122,1270 1.704,1271 1.642,1272 1.964,1273 1.865,1274 1.281,1275 1.903,1276 1.655,1277 1.623,1278 1.827,1279 1.816,1280 1.026,1281 1.815,1282 1.471,1283 1.402,1284 1.782,1285 1.704,1286 0.933,1287 1.732,1288 1.249,1289 1.18,1290 1.549,1291 1.461,1292 0.68,1293 1.494,1294 1.042,1295 0.999,1296 1.291,1297 1.328,1298 0.436,1299 1.319,1300 0.914,1301 0.814,1302 1.191,1303 1.261,1304 0.337,1305 1.235,1306 0.702,1307 0.628,1308 1.086,1309 1.017,1310 0.123,1311 1.058,1312 3.892,1314 5.22,1316 6.756,1317 2.708,1318 8.4,1319 5.094,1320 10.107,1322 3.59,1326 6.37,1328 5.725,1330 5.09,1340 26.235,1341 64.849,1342 145.516,1343 192.31,1344 205.82,1345 209.82,1346 209.82,1347 38.042,1348 7.134,1349 78.1,1350 78.1,1351 19,1352 12.47,1353 3.7,1354 2.907,1355 34.291,1356 66,1357 74,1358 0.272,1359 162.471,1360 278.52,1361 388.189,1362 10658,1364 15.69,1365 0.713,1366 0.596,1367 15.69,1368 13.108,1369 10.613,1370 0.442,1371 0.328,1372 7.785,1373 10.241,1374 7.557,1375 6.277,1376 10.613,1377 7.872,1378 9.459,1379 0.278,1380 0.168,1381 9.459,1382 5.724,1383 8.204,1384 0.175,1385 0.09,1386 8.204,1387 4.233,1388 7.048,1389 0.112,1390 0.049,1391 7.048,1392 3.062,1393 5.576,1394 0.067,1395 0.027,1396 5.576,1397 2.2,1398 0.408,1399 66.271,1400 0.252,1401 21.131,1402 0.801,1403 116,1404 326.074,1405 127.057,1406 313.385,1407 433.85,1408 294,1409 139,1410 325.57,1411 149.645,1412 327.831,1413 487.05,1414 310,1415 5.699}
{0 CHEMBL1083976,1 1.41,2 18.95,3 7.61,4 57.909,5 157.83,6 6.809,7 0.419,8 4.445,9 4.562,10 3.929,11 3.967,12 5.472,13 3.931,14 5.008,15 5.19,16 4.244,17 4.335,18 6.017,19 4.27,20 5.283,21 5.511,22 4.315,23 4.459,24 6.207,25 4.374,26 5.314,27 5.55,28 4.29,29 4.439,30 6.309,31 4.346,32 5.277,33 5.505,34 4.197,35 4.44,36 6.219,37 4.327,38 5.311,39 5.562,40 4.153,41 4.42,42 6.198,43 4.29,44 5.262,45 5.506,46 4.084,47 4.356,48 6.148,49 4.232,50 5.195,51 5.43,52 4.048,53 4.304,54 6.094,55 4.187,56 0.035,57 1.068,58 18.019,59 7.994,60 9.428,61 10.564,62 0.411,63 1.727,64 33.713,65 12.931,66 41.972,67 17.734,68 0.418,69 2.104,70 45.829,71 16.5,72 52.217,73 22.837,74 0.777,75 2.124,76 48.178,77 16.44,78 83.155,79 22.965,80 0.525,81 2.08,82 45.682,83 16.533,84 68.711,85 22.888,86 0.562,87 2.111,88 47.627,89 17.072,90 71.835,91 24.079,92 0.607,93 2,94 45.684,95 15.84,96 68.174,97 22.074,98 0.568,99 1.846,100 42.718,101 15.028,102 62.381,103 20.624,104 31,105 56,106 0.215,107 0.494,108 0.702,109 0.852,110 0.904,111 0.904,112 3.717,113 1.006,114 -5.09,115 -4.99,116 -4.68,121 41.3,122 2,123 6,127 5,144 11,145 3,146 4,159 1,161 1,176 15,179 1,180 14,183 2,185 1,187 15,192 11,197 1,200 9,205 3,206 13,211 3,214 12,218 1,219 6,224 3,227 13,231 1,232 10,237 2,239 11,243 1,244 10,247 1,251 8,255 1,256 7,264 12,268 1,269 4,274 2,277 15,281 3866,282 27.568,283 27.568,284 27.568,285 27.568,286 27.568,287 25.185,288 31.713,289 17.169,290 28.073,291 21.246,292 21.246,293 21.246,294 21.246,295 21.246,296 17.525,297 41.749,298 8.142,299 22.057,300 4.912,301 3.087,302 1.72,303 0.738,304 0.394,305 0.394,306 4.415,312 1,313 1620,314 4.899,318 498.108,322 379.379,325 3.105,326 37.915,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 86,338 758,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 2.186,346 11.061,347 3.18,348 4.107,349 3.665,350 6.011,351 3.735,352 2.774,353 3.688,354 0.916,355 8.529,356 2.669,357 4.048,358 3.026,359 5.708,360 3.613,361 2.643,362 3.676,363 0.86,364 8.085,365 2.563,366 3.695,367 2.992,368 5.41,369 3.437,370 2.512,371 2.965,372 0.86,373 7.165,374 2.312,375 3.617,376 2.82,377 5.399,378 3.235,379 2.274,380 2.899,381 0.366,382 6.912,383 2.173,384 3.45,385 2.678,386 5.125,387 3.193,388 2.233,389 2.561,390 0.172,391 6.064,392 2.124,393 3.308,394 2.492,395 5.021,396 2.948,397 2.01,398 2.503,400 6.031,401 1.862,402 3.14,403 2.211,404 4.664,405 2.846,406 1.874,407 2.262,409 5.064,410 1.817,411 2.904,412 1.875,413 4.125,414 2.732,415 1.737,416 2.081,418 3.494,419 1.719,420 2.798,421 1.721,422 3.773,423 2.451,424 1.478,425 1.811,427 3.384,428 1.434,429 2.715,430 1.59,431 3.721,432 2.397,433 1.414,434 1.8,436 3.116,437 1.383,438 2.663,439 1.461,440 3.616,441 2.243,442 1.256,443 1.732,445 3.008,446 1.236,447 2.519,448 1.371,449 3.497,450 2.239,451 1.254,452 1.512,454 2.635,455 1.231,456 2.398,457 1.298,458 3.481,459 2.171,460 1.174,461 1.271,463 2.282,464 1.167,465 2.278,466 1.294,467 3.238,468 1.996,469 1.024,470 1.26,472 2.069,473 0.991,474 18.967,475 0.474,476 0.691,477 0.017,478 47.25,479 1.181,480 22.5,481 0.563,482 24.75,483 0.619,484 40.023,485 1.001,486 44.633,487 0.558,488 38.259,489 0.956,490 8.931,491 0.223,492 10.637,493 0.266,494 0.088,496 0.258,501 0.769,502 1.332,503 0.867,504 1.207,505 0.585,506 1.072,507 0.832,508 1.115,509 0.947,510 1.089,511 0.533,512 1.035,513 1.117,514 1.018,515 0.903,516 0.969,517 0.79,518 0.911,519 1.132,520 0.921,521 0.943,522 0.893,523 1.05,524 0.886,525 1.148,526 1.042,527 1.06,528 1.028,529 1.298,530 1.031,531 0.965,532 1.021,533 0.962,534 0.994,535 0.864,536 0.98,537 1.222,538 0.954,539 1.085,540 0.982,541 1.032,542 1.007,543 1.338,544 0.99,545 1.087,546 0.983,547 1.085,548 1.001,549 6.5,550 0.223,551 2.889,552 2.5,553 1.933,554 0.868,555 0.706,556 0.42,557 0.345,558 0.214,559 31149,560 72338,561 2.065,562 50,563 12,564 21,567 1,569 4,570 2,572 1.795,573 1.967,574 4.155,575 -0.442,582 112.802,583 1.41,584 3.235,585 4.602,586 5.584,587 5.928,588 5.928,589 3.659,590 5.053,591 5.29,592 4.36,593 3400.88,594 9.309,595 65472.9,600 505.754,601 1.236,602 5.269,603 0.151,604 0.005,605 0.052,606 0.042,607 0.035,608 0.017,609 0.015,610 0.01,611 0.008,612 0.005,613 0.339,614 0.17,615 0.75,616 1.696,617 233.653,618 -0.002,619 -0.127,620 0.057,621 -0.068,622 -0.008,623 -0.007,624 0.126,625 0.002,626 0.024,627 -0.05,628 0.141,629 -0.029,630 -0.045,631 -0.008,632 0.095,633 0.021,634 0.039,635 0.072,636 0.067,637 0.078,638 0.076,639 0.07,640 0.094,641 0.076,642 -0.078,643 -0.037,644 -0.064,645 -0.037,646 -0.1,647 -0.048,648 0.013,649 -0.049,650 0.027,651 -0.017,652 0.001,653 0.003,654 -0.082,655 0.032,656 -0.074,657 -0.02,658 -0.101,659 -0.042,660 -0.111,661 -0.022,662 -0.07,663 -0.007,664 -0.097,665 -0.032,666 2.072,667 5.759,668 0.5,669 61.048,670 0.995,671 1.124,672 3.865,673 14.938,674 0.647,675 3.784,676 4.043,677 4.277,678 4.533,679 4.754,680 4.836,681 4.942,682 5.069,683 5.13,684 5.088,685 10.658,686 0.608,687 544.75,688 3.784,689 5.293,690 6.116,691 6.969,692 7.813,693 8.679,694 9.536,695 10.411,696 11.275,697 12.156,698 2.5,701 1,705 1,715 11,720 7,722 18,727 1,737 1,739 2,741 80,743 20,744 3,745 43,747 83,748 33,749 18,750 7,751 11,752 1,756 4,757 7,763 2,770 6,772 20,773 13,777 2,782 2,786 2,793 40,794 7,795 1,796 7,802 2,808 0.5,809 5,829 4,833 2,855 1,859 2,864 2,868 40,876 11,877 1,878 3,881 1,893 6.3,896 2,898 3,901 20.333,902 14.7,903 9.194,904 5.488,907 3.516,908 1.419,909 0.954,910 11.593,911 11.912,912 4.007,913 4.505,914 5.012,915 5.554,916 6.07,917 6.287,918 6.62,919 6.978,920 7.257,921 7.433,922 0.923,923 59,924 14.884,926 6.155,927 0.026,929 7.663,931 28.844,933 23.162,936 2.163,937 86.5,941 459.073,942 192.538,943 21.135,945 83.29,948 192.538,949 542.362,950 21.135,951 17.65,952 46.233,953 104.239,954 55.423,955 66.654,956 6.763,957 459.073,959 459.073,960 213.673,961 83.29,964 388.446,965 153.916,968 67.008,969 146.665,972 459.073,973 104.425,974 192.538,977 459.073,978 70.649,979 125.013,980 18.011,981 83.29,982 459.073,983 104.425,984 192.538,986 0.555,987 0.315,988 0.176,989 0.095,990 22,991 10,992 0.193,993 16,994 2,995 1.2,996 5.202,997 362.322,998 0.2,999 20,1000 210.877,1005 29.792,1006 15.565,1007 8.914,1009 104.425,1010 20.394,1015 4.569,1017 18.011,1018 756.036,1019 54,1024 24.9,1028 -0.437,1031 79.629,1032 89.932,1034 0.223,1035 0.512,1036 0.728,1037 0.883,1038 0.938,1039 0.938,1040 5.218,1041 1.874,1042 6.057,1043 6.031,1044 4.727,1045 5.193,1046 2.639,1047 6.808,1048 4.656,1049 6.369,1050 1.737,1051 7.569,1052 5.064,1053 4.111,1054 4.832,1055 1.847,1056 7.579,1057 4.007,1058 7.64,1059 1.478,1060 9.185,1061 3.494,1062 6.248,1063 7.268,1064 3.582,1065 10.706,1066 6.11,1067 8.946,1068 1.414,1069 10.866,1070 3.384,1071 6.494,1072 7.758,1073 3.603,1074 12.364,1075 6.339,1076 10.289,1077 1.256,1078 12.59,1079 3.116,1080 8.047,1081 9.656,1082 4.922,1083 15.002,1084 7.865,1085 11.657,1086 1.254,1087 14.347,1088 3.008,1089 8.733,1090 10.564,1091 5.291,1092 17.056,1093 8.548,1094 13.047,1095 1.174,1096 16.128,1097 2.635,1098 10.033,1099 12.222,1100 6.39,1101 19.533,1102 9.829,1103 3.215,1104 1.024,1105 17.928,1106 2.282,1107 10.949,1108 13.353,1109 6.93,1110 21.772,1111 10.748,1112 2.774,1113 11.061,1114 19.744,1115 2.069,1116 12.143,1117 14.892,1118 7.902,1119 24.195,1120 11.93,1121 2.643,1122 8.529,1123 21.573,1124 4.198,1125 13.176,1126 16.145,1127 8.539,1128 26.521,1129 12.966,1130 2.512,1131 8.085,1132 23.414,1133 3.688,1134 14.332,1135 17.623,1136 9.436,1137 28.927,1138 14.115,1139 2.274,1140 7.165,1141 25.264,1142 3.676,1143 15.424,1144 18.947,1145 10.13,1146 31.293,1147 15.207,1148 2.233,1149 6.912,1150 27.123,1151 2.965,1152 16.57,1153 20.393,1154 10.981,1155 33.695,1156 16.348,1157 2.01,1158 6.064,1159 28.99,1160 2.899,1161 17.693,1162 21.758,1163 11.71,1164 36.079,1165 17.469,1166 29878,1167 45904,1168 29.008,1169 51.75,1170 61.783,1171 64.256,1172 63.69,1173 61.363,1174 61.302,1175 76.469,1176 10.723,1177 164.993,1178 59.201,1179 5.494,1180 5.692,1181 6.727,1182 5.302,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.18,1188 18.452,1189 1.437,1190 1.494,1191 1.481,1192 1.427,1193 1.426,1194 1.778,1195 0.249,1196 3.837,1197 1.377,1198 4.051,1199 4.061,1200 4.016,1201 3.967,1202 7.435,1203 3.976,1204 3.945,1205 3.974,1206 3.882,1207 3.859,1208 7.427,1209 3.86,1210 3.783,1211 3.828,1212 3.716,1213 3.711,1214 4.947,1215 3.708,1216 3.759,1217 3.81,1218 3.608,1219 3.622,1220 4.813,1221 3.605,1222 3.706,1223 3.763,1224 3.575,1225 3.545,1226 4.708,1227 3.542,1228 3.532,1229 3.6,1230 3.405,1231 3.346,1232 4.384,1233 3.329,1234 3.506,1235 3.577,1236 3.329,1237 3.314,1238 4.301,1239 3.316,1240 3.3,1241 3.351,1242 3.165,1243 3.091,1244 4.239,1245 3.106,1246 0.106,1247 0.086,1248 0.158,1249 0.098,1250 0.075,1251 4.553,1252 0.098,1253 3.692,1254 0.051,1255 6.774,1256 0.257,1257 4.203,1258 0.074,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.059,1267 2.084,1268 1.353,1269 2.074,1270 1.913,1271 1.887,1272 2.04,1273 2.031,1274 1.3,1275 2.035,1276 1.775,1277 1.752,1278 2.023,1279 1.942,1280 1.167,1281 1.971,1282 1.764,1283 1.698,1284 1.935,1285 1.898,1286 1.113,1287 1.91,1288 1.691,1289 1.626,1290 1.89,1291 1.848,1292 1.099,1293 1.864,1294 1.524,1295 1.454,1296 1.813,1297 1.742,1298 1.034,1299 1.759,1300 1.499,1301 1.423,1302 1.795,1303 1.718,1304 0.972,1305 1.753,1306 1.239,1307 1.186,1308 1.515,1309 1.506,1310 0.706,1311 1.506,1312 4.466,1314 5.74,1316 7.21,1318 8.785,1320 10.423,1322 4.334,1328 10.073,1329 2.832,1330 17.459,1333 2.377,1340 48.626,1341 112.802,1342 258.776,1343 368.152,1344 446.735,1345 474.244,1346 474.244,1347 89.929,1348 8.396,1349 81.01,1350 81.01,1351 24,1352 12.696,1353 4.392,1354 3.585,1355 73.785,1356 255,1357 308,1358 0.134,1359 299.113,1360 534.23,1361 721.595,1362 69289,1364 28.158,1365 0.704,1366 0.59,1367 28.158,1368 23.617,1369 19.567,1370 0.455,1371 0.335,1372 14.255,1373 18.884,1374 13.923,1375 11.66,1376 19.567,1377 14.424,1378 16.524,1379 0.295,1380 0.18,1381 16.524,1382 10.088,1383 13.34,1384 0.188,1385 0.096,1386 13.34,1387 6.791,1388 11.277,1389 0.123,1390 0.052,1391 11.277,1392 4.786,1393 8.904,1394 0.077,1395 0.027,1396 8.904,1397 3.154,1398 0.222,1399 122.166,1400 0.186,1401 37.213,1402 0.336,1403 198,1404 574.656,1405 218.41,1406 542.593,1407 740.31,1408 510,1409 226,1410 543.076,1411 245.778,1412 542.568,1413 795.61,1414 512,1415 6.398}
{0 CHEMBL1083977,1 1.41,2 18.925,3 7.464,4 55.705,5 157.724,6 6.809,7 0.419,8 4.445,9 4.562,10 3.929,11 3.967,12 5.476,13 3.931,14 5.009,15 5.19,16 4.259,17 4.337,18 6.022,19 4.275,20 5.286,21 5.511,22 4.33,23 4.474,24 6.221,25 4.392,26 5.34,27 5.573,28 4.297,29 4.473,30 6.331,31 4.372,32 5.329,33 5.575,34 4.21,35 4.462,36 6.248,37 4.343,38 5.299,39 5.54,40 4.163,41 4.425,42 6.216,43 4.298,44 5.293,45 5.547,46 4.082,47 4.35,48 6.171,49 4.226,50 5.15,51 5.371,52 4.042,53 4.291,54 6.072,55 4.181,56 0.035,57 1.068,58 18.019,59 7.994,60 10.277,61 10.564,62 0.406,63 1.731,64 33.707,65 12.91,66 43.014,67 17.725,68 0.441,69 2.131,70 45.961,71 16.387,72 53.064,73 22.683,74 0.75,75 2.179,76 49.168,77 17.292,78 84.707,79 24.042,80 0.565,81 2.161,82 48.507,83 17.368,84 74.711,85 24.297,86 0.525,87 2.106,88 46.791,89 16.962,90 73.06,91 23.792,92 0.685,93 2.022,94 47.636,95 16.067,96 74.741,97 22.442,98 0.558,99 1.785,100 40.636,101 14.404,102 61.715,103 19.57,104 37,105 57,106 0.215,107 0.501,108 0.714,109 0.854,110 0.888,111 0.888,112 3.717,113 0.999,114 -5.09,115 -4.99,116 -4.68,121 41.3,122 3,123 5,127 4,129 1,144 11,145 3,146 4,159 1,161 1,176 14,179 1,180 15,183 2,185 1,187 16,192 10,197 1,200 9,205 3,206 13,211 3,214 14,218 1,219 6,224 3,227 13,231 1,232 11,237 2,239 10,243 1,244 10,247 1,251 8,255 1,256 6,264 13,268 1,269 5,274 3,277 14,281 3832,282 27.198,283 27.198,284 27.198,285 27.198,286 27.198,287 24.815,288 33.294,289 16.704,290 27.713,291 21.249,292 21.249,293 21.249,294 21.249,295 21.249,296 17.527,297 46.017,298 7.972,299 22.067,300 4.912,301 3.038,302 1.641,303 0.722,304 0.503,305 0.503,306 4.413,312 1,313 1618,314 5,318 497.611,322 378.982,325 3.133,326 38.23,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 86,338 757,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 2.186,346 11.061,347 3.18,348 4.114,349 3.665,350 6.011,351 3.785,352 2.833,353 3.689,354 0.916,355 8.53,356 2.704,357 4.048,358 3.127,359 5.977,360 3.614,361 2.645,362 3.676,363 0.86,364 8.514,365 2.563,366 3.761,367 2.994,368 5.606,369 3.567,370 2.629,371 2.965,372 0.86,373 7.665,374 2.454,375 3.618,376 2.82,377 5.407,378 3.267,379 2.302,380 2.916,381 0.366,382 6.913,383 2.192,384 3.582,385 2.749,386 5.139,387 3.229,388 2.267,389 2.69,390 0.172,391 6.33,392 2.169,393 3.308,394 2.493,395 5.124,396 2.949,397 2.012,398 2.504,400 6.04,401 1.863,402 3.199,403 2.277,404 4.698,405 2.876,406 1.904,407 2.378,409 5.145,410 1.845,411 2.905,412 1.875,413 4.125,414 2.741,415 1.745,416 2.081,418 3.495,419 1.732,420 2.798,421 1.754,422 3.866,423 2.532,424 1.562,425 1.811,427 3.386,428 1.509,429 2.716,430 1.621,431 3.772,432 2.425,433 1.434,434 1.801,436 3.362,437 1.418,438 2.669,439 1.461,440 3.715,441 2.246,442 1.264,443 1.738,445 3.072,446 1.238,447 2.599,448 1.38,449 3.534,450 2.242,451 1.256,452 1.602,454 2.697,455 1.235,456 2.419,457 1.359,458 3.492,459 2.176,460 1.182,461 1.292,463 2.405,464 1.171,465 2.278,466 1.298,467 3.419,468 1.994,469 1.041,470 1.26,472 2.282,473 0.985,474 18.967,475 0.474,476 0.818,477 0.02,478 47.25,479 1.181,480 22.5,481 0.563,482 24.75,483 0.619,484 40.968,485 1.024,486 44.633,487 0.558,488 38.439,489 0.961,490 8.93,491 0.223,492 10.51,493 0.263,494 0.114,496 0.285,501 0.769,502 1.332,503 0.867,504 1.207,505 0.599,506 1.072,507 0.823,508 1.125,509 0.92,510 1.078,511 0.524,512 1.015,513 1.162,514 0.995,515 0.944,516 0.961,517 0.805,518 0.919,519 1.07,520 0.984,521 0.964,522 0.965,523 1.03,524 0.95,525 1.078,526 0.954,527 0.973,528 0.938,529 1.217,530 0.94,531 0.973,532 1.104,533 1.013,534 1.081,535 0.887,536 1.057,537 1.303,538 0.866,539 1.048,540 0.889,541 1.027,542 0.923,543 1.421,544 1.019,545 1.152,546 1.013,547 1.154,548 1.044,549 7,550 0.244,551 3.333,552 2.625,553 2.173,554 0.979,555 0.769,556 0.495,557 0.398,558 0.244,559 30985,560 72082,561 2.05,562 50,563 9,564 20,567 1,569 8,570 2,572 1.795,573 1.935,574 4.147,575 -0.442,582 112.802,583 1.41,584 3.283,585 4.681,586 5.6,587 5.819,588 5.819,589 3.65,590 5.053,591 5.29,592 4.356,593 3397.76,594 9.307,595 65114.1,600 505.754,601 1.329,602 5.26,603 0.163,604 0.006,605 0.058,606 0.044,607 0.039,608 0.019,609 0.016,610 0.011,611 0.009,612 0.006,613 0.371,614 0.17,615 0.75,616 1.655,617 233.436,618 -0.002,619 -0.127,620 0.057,621 -0.068,622 -0.02,623 -0.007,624 0.136,625 -0.009,626 0.052,627 -0.039,628 0.151,629 -0.009,630 -0.072,631 0.034,632 0.057,633 0.027,634 0.023,635 0.06,636 0.076,637 0.008,638 0.045,639 0.012,640 0.085,641 0.023,642 -0.052,643 0.028,644 0.022,645 0.041,646 -0.069,647 0.041,648 0.01,649 -0.118,650 -0.027,651 -0.094,652 -0.013,653 -0.07,654 -0.094,655 0.099,656 -0.024,657 0.057,658 -0.09,659 0.031,660 -0.146,661 -0.034,662 -0.133,663 -0.027,664 -0.131,665 -0.074,666 2.076,667 5.761,668 0.5,669 61.16,670 0.995,671 1.124,672 3.865,673 14.938,674 0.647,675 3.784,676 4.06,677 4.29,678 4.533,679 4.762,680 4.836,681 4.949,682 5.075,683 5.142,684 5.075,685 10.616,686 0.608,687 544.75,688 3.784,689 5.303,690 6.129,691 6.986,692 7.833,693 8.701,694 9.56,695 10.435,696 11.302,697 12.182,698 2.5,701 1,705 1,715 11,720 7,722 18,727 1,737 1,739 2,741 80,743 20,744 3,745 43,747 83,748 33,749 18,750 7,751 11,752 1,756 4,757 7,763 3,770 6,772 20,773 13,777 2,782 2,786 2,793 40,794 7,795 1,796 7,802 2,808 0.5,809 5,829 4,833 2,855 1,859 2,864 3,868 40,876 9,877 1,878 3,880 1,881 1,893 6.3,896 2,898 3,901 20.667,902 15.033,903 9.056,904 5.371,907 3.516,908 1.419,909 0.949,910 11.166,911 11.912,912 4.007,913 4.516,914 5.019,915 5.554,916 6.074,917 6.29,918 6.626,919 6.983,920 7.269,921 7.424,922 0.923,923 60,924 14.879,926 6.171,927 0.026,929 7.671,931 28.784,933 23.177,936 2.171,937 86.833,941 459.073,942 196.723,943 21.135,945 83.29,948 196.723,949 542.362,950 21.135,951 26.476,952 41.593,953 104.239,954 55.423,955 66.654,956 6.763,957 459.073,959 459.073,960 217.858,961 83.29,964 341.362,965 201.001,968 71.193,969 146.665,972 459.073,973 104.425,974 196.723,977 459.073,978 66.009,979 133.839,980 18.011,981 83.29,982 459.073,983 104.425,984 196.723,986 0.564,987 0.319,988 0.171,989 0.094,990 23,991 11,992 0.181,993 15,994 2,995 1.2,996 5.164,997 364.697,998 0.2,999 20,1000 210.877,1005 29.792,1006 14.992,1007 8.657,1009 104.425,1010 20.353,1015 4.532,1017 18.011,1018 760.22,1019 54,1024 24.908,1028 -0.443,1031 79.629,1032 89.932,1034 0.223,1035 0.519,1036 0.74,1037 0.886,1038 0.92,1039 0.92,1040 5.228,1041 1.904,1042 6.084,1043 6.04,1044 4.745,1045 5.204,1046 2.639,1047 6.847,1048 4.673,1049 6.39,1050 1.745,1051 7.609,1052 5.145,1053 4.205,1054 4.879,1055 1.847,1056 7.653,1057 4.1,1058 7.665,1059 1.562,1060 9.237,1061 3.495,1062 6.282,1063 7.281,1064 3.582,1065 10.764,1066 6.141,1067 8.975,1068 1.434,1069 10.929,1070 3.386,1071 6.581,1072 7.783,1073 3.603,1074 12.434,1075 6.418,1076 10.32,1077 1.264,1078 12.662,1079 3.362,1080 8.1,1081 9.667,1082 4.922,1083 15.063,1084 7.909,1085 11.69,1086 1.256,1087 14.426,1088 3.072,1089 8.815,1090 10.578,1091 5.291,1092 17.116,1093 8.614,1094 13.08,1095 1.182,1096 16.211,1097 2.697,1098 10.098,1099 12.23,1100 6.39,1101 19.584,1102 9.877,1103 3.215,1104 1.041,1105 18.014,1106 2.405,1107 11.026,1108 13.36,1109 6.93,1110 21.817,1111 10.801,1112 2.833,1113 11.061,1114 19.832,1115 2.282,1116 12.211,1117 14.896,1118 7.902,1119 24.233,1120 11.974,1121 2.645,1122 8.53,1123 21.661,1124 4.198,1125 13.247,1126 16.15,1127 8.539,1128 26.552,1129 13.009,1130 2.629,1131 8.514,1132 23.5,1133 3.689,1134 14.397,1135 17.626,1136 9.436,1137 28.952,1138 14.151,1139 2.302,1140 7.665,1141 25.348,1142 3.676,1143 15.488,1144 18.949,1145 10.13,1146 31.313,1147 15.241,1148 2.267,1149 6.913,1150 27.204,1151 2.965,1152 16.629,1153 20.395,1154 10.981,1155 33.711,1156 16.377,1157 2.012,1158 6.33,1159 29.066,1160 2.916,1161 17.748,1162 21.759,1163 11.71,1164 36.092,1165 17.495,1166 29725,1167 45707,1168 28.72,1169 51.75,1170 62.578,1171 65.109,1172 64.329,1173 62.102,1174 62.059,1175 77.233,1176 10.723,1177 169.431,1178 59.922,1179 5.494,1180 5.692,1181 6.727,1182 5.302,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.18,1188 20.309,1189 1.455,1190 1.514,1191 1.496,1192 1.444,1193 1.443,1194 1.796,1195 0.249,1196 3.94,1197 1.394,1198 4.052,1199 4.062,1200 4.016,1201 3.967,1202 7.435,1203 3.976,1204 3.947,1205 3.977,1206 3.884,1207 3.861,1208 7.427,1209 3.861,1210 3.784,1211 3.829,1212 3.716,1213 3.711,1214 4.948,1215 3.708,1216 3.759,1217 3.812,1218 3.614,1219 3.622,1220 4.813,1221 3.605,1222 3.718,1223 3.771,1224 3.59,1225 3.561,1226 4.708,1227 3.56,1228 3.532,1229 3.6,1230 3.405,1231 3.329,1232 4.391,1233 3.318,1234 3.491,1235 3.558,1236 3.326,1237 3.313,1238 4.316,1239 3.312,1240 3.287,1241 3.335,1242 3.144,1243 3.07,1244 4.265,1245 3.086,1246 0.106,1247 0.086,1248 0.158,1249 0.098,1250 0.075,1251 4.553,1252 0.098,1253 3.692,1254 0.051,1255 6.774,1256 0.257,1257 4.203,1258 0.074,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.059,1267 2.085,1268 1.353,1269 2.074,1270 1.915,1271 1.888,1272 2.043,1273 2.034,1274 1.295,1275 2.039,1276 1.776,1277 1.752,1278 2.023,1279 1.943,1280 1.166,1281 1.971,1282 1.764,1283 1.699,1284 1.934,1285 1.901,1286 1.112,1287 1.913,1288 1.702,1289 1.639,1290 1.887,1291 1.85,1292 1.045,1293 1.864,1294 1.503,1295 1.435,1296 1.795,1297 1.741,1298 1.034,1299 1.758,1300 1.499,1301 1.423,1302 1.794,1303 1.699,1304 0.971,1305 1.734,1306 1.207,1307 1.162,1308 1.481,1309 1.496,1310 0.656,1311 1.488,1312 4.466,1314 5.753,1316 7.232,1318 8.812,1320 10.452,1322 6.505,1328 7.994,1329 2.83,1330 17.46,1332 0.333,1333 2.363,1340 48.626,1341 112.802,1342 262.676,1343 374.442,1344 447.98,1345 465.49,1346 465.49,1347 90.971,1348 8.396,1349 81.01,1350 81.01,1351 24,1352 12.721,1353 4.392,1354 3.585,1355 73.813,1356 254,1357 308,1358 0.135,1359 299.113,1360 534.23,1361 721.595,1362 69169,1364 28.321,1365 0.708,1366 0.595,1367 28.321,1368 23.781,1369 19.44,1370 0.452,1371 0.333,1372 14.147,1373 18.752,1374 13.756,1375 11.525,1376 19.44,1377 14.314,1378 16.873,1379 0.296,1380 0.182,1381 16.873,1382 10.376,1383 13.518,1384 0.188,1385 0.096,1386 13.518,1387 6.932,1388 11.142,1389 0.121,1390 0.051,1391 11.142,1392 4.676,1393 8.948,1394 0.077,1395 0.027,1396 8.948,1397 3.165,1398 0.223,1399 121.364,1400 0.187,1401 37.184,1402 0.339,1403 200,1404 576.656,1405 220.743,1406 545.113,1407 744.49,1408 512,1409 229,1410 548.428,1411 248.778,1412 548.277,1413 802.79,1414 517,1415 6.77}
{0 CHEMBL1083982,1 1.363,2 11.704,3 4.658,4 21.7,5 108,6 6.769,7 0.4,8 4.07,9 4.182,10 3.568,11 3.622,12 5.062,13 3.582,14 4.661,15 4.838,16 3.915,17 4.046,18 5.552,19 3.982,20 4.934,21 5.142,22 4.014,23 4.223,24 5.829,25 4.121,26 5.039,27 5.271,28 3.914,29 4.235,30 5.896,31 4.099,32 5.063,33 5.316,34 3.846,35 4.189,36 5.899,37 4.042,38 4.979,39 5.235,40 3.691,41 4.099,42 5.831,43 3.93,44 4.853,45 5.125,46 3.472,47 3.909,48 5.679,49 3.734,50 4.598,51 4.858,52 3.383,53 3.725,54 5.386,55 3.575,56 0.03,57 0.719,58 12.306,59 5.573,60 8.244,61 7.346,62 0.204,63 1.228,64 23.656,65 9.329,66 20.883,67 12.584,68 0.322,69 1.57,70 31.449,71 12.359,72 30.165,73 17.069,74 0.281,75 1.67,76 35.374,77 13.867,78 43.395,79 19.125,80 0.464,81 1.651,82 37.031,83 13.935,84 49.953,85 19.326,86 0.398,87 1.526,88 33.834,89 12.994,90 49.91,91 18.174,92 0.391,93 1.321,94 30.341,95 10.979,96 49.972,97 15.475,98 0.195,99 1.039,100 23.007,101 8.823,102 27.241,103 12.343,104 14,105 42,106 0.227,107 0.532,108 0.72,109 0.792,110 0.806,111 0.813,112 3.34,113 0.978,114 -4.8,115 -4.71,116 -4.43,121 42.6,123 4,124 2,126 2,127 2,144 7,145 2,146 3,159 1,176 13,180 8,187 15,191 1,192 11,200 11,206 7,214 10,218 1,219 6,227 12,231 1,232 3,239 10,243 1,244 4,251 5,256 6,264 5,269 2,277 7,281 1091,282 18.687,283 18.687,284 18.687,285 18.687,286 18.687,287 17.169,288 23.835,289 10.92,290 19.117,291 14.686,292 14.686,293 14.686,294 14.686,295 14.686,296 12.218,297 28.948,298 5.026,299 15.17,300 4.392,301 2.565,302 1.434,303 1.005,304 0.917,305 0.88,306 4.039,311 1,312 1,313 689,314 2.739,317 60.334,318 255.776,321 114.628,325 1.863,326 21.482,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 57.5,338 316,339 4.528,340 3.793,341 6.724,342 4.227,343 3.222,344 4.173,345 1.277,346 10.926,347 3.24,348 4.083,349 3.184,350 6.144,351 3.822,352 2.872,353 3.55,354 0.86,355 9.06,356 2.733,357 4.016,358 3.108,359 6.106,360 3.694,361 2.738,362 3.385,363 0.86,364 8.877,365 2.609,366 3.538,367 2.563,368 5.562,369 3.408,370 2.418,371 2.633,372 0.8,373 7.336,374 2.386,375 3.288,376 2.473,377 5.208,378 2.961,379 1.968,380 2.484,382 6.129,383 1.947,384 3.146,385 2.197,386 4.886,387 2.83,388 1.85,389 2.307,391 5.42,392 1.811,393 2.99,394 1.991,395 4.441,396 2.702,397 1.727,398 2.095,400 4.466,401 1.68,402 2.577,403 1.78,404 4.245,405 2.285,406 1.343,407 1.556,409 3.518,410 1.247,411 2.5,412 1.297,413 3.509,414 2.126,415 1.149,416 1.5,418 2.699,419 1.119,420 2.42,421 1.212,422 3.414,423 2,424 1,425 1.399,427 2.275,428 1,429 2,430 1.077,431 3.259,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.902,439 1.012,440 3.247,441 1.54,442 0.579,443 0.715,445 1.204,446 0.546,447 1.483,448 1,449 2.927,450 1.232,451 0.373,452 0.404,454 0.531,455 0.316,456 1.214,457 0.507,458 2.749,459 1.068,460 0.099,461 0.106,463 0.227,464 0.096,465 0.958,466 0.087,467 2.419,468 0.676,469 -0.319,470 -0.379,472 -0.667,473 -0.312,474 12.9,475 0.478,476 0.568,477 0.021,478 32,479 1.185,480 15,481 0.556,482 17,483 0.63,484 25.229,485 0.934,486 29.7,487 0.55,488 21.829,489 0.808,490 6.027,491 0.223,492 7.163,493 0.265,494 0.103,496 0.341,501 0.752,502 1.286,503 0.851,504 1.166,505 0.56,506 1.042,507 1.15,508 1.014,509 0.968,510 0.936,511 0.705,512 0.923,513 0.825,514 1.097,515 0.994,516 1.081,517 0.842,518 1.056,519 0.96,520 1.121,521 1.069,522 1.136,523 1.228,524 1.119,525 1.004,526 0.948,527 1.012,528 0.979,529 1.002,530 0.995,531 0.851,532 1.059,533 1.05,534 1.08,535 1.207,536 1.092,537 1.086,538 0.928,539 1.058,540 0.937,541 1.599,542 0.988,543 0.892,544 1.013,545 0.934,546 1.002,547 1.071,548 0.981,549 5,550 0.126,551 3.111,552 2.076,553 1.338,554 1.178,555 0.538,556 0.265,557 0.241,558 0.16,559 9515,560 21548,561 2.12,562 50,563 5,564 17,568 1,569 4,572 1.697,573 2,574 3.512,575 -0.843,582 73.585,583 1.363,584 3.19,585 4.321,586 4.75,587 4.838,588 4.875,589 2.967,590 4.357,591 4.724,592 3.673,593 1289.11,594 8.18,595 16719.2,597 1,600 310.764,601 1.352,602 4.694,603 0.167,604 0.006,605 0.074,606 0.047,607 0.035,608 0.034,609 0.019,610 0.012,611 0.011,612 0.007,613 0.411,614 0.33,615 1,616 0.806,617 134.978,618 0.017,619 -0.123,620 0.075,621 -0.054,622 0.033,623 0.006,624 -0.116,625 0.085,626 0.007,627 0.092,628 -0.015,629 0.071,630 0.061,631 -0.043,632 -0.031,633 -0.071,634 0.058,635 -0.061,636 -0.054,637 -0.128,638 -0.102,639 -0.139,640 -0.072,641 -0.128,642 0.016,643 0.008,644 -0.025,645 -0.006,646 0.001,647 -0.018,648 0.045,649 -0.107,650 -0.08,651 -0.1,652 -0.001,653 -0.106,654 -0.055,655 0.015,656 -0.063,657 0.011,658 -0.134,659 -0.024,660 -0.011,661 -0.066,662 0.038,663 -0.024,664 -0.074,665 0.007,666 1.392,667 5.917,668 0.778,669 27.075,670 0.992,671 1.121,672 3.573,673 12.766,674 0.653,675 3.434,676 3.761,677 4.078,678 4.344,679 4.585,680 4.663,681 4.82,682 4.92,683 4.942,684 5.011,685 6.831,686 0.611,687 365.51,688 3.434,689 4.977,690 5.844,691 6.727,692 7.611,693 8.502,694 9.392,695 10.287,696 11.181,697 12.079,698 1.9,704 1,715 7,720 5,722 12,727 1,736 1,739 2,741 54,743 13,744 2,745 30,747 57,748 23,749 12,750 5,751 7,752 1,756 4,757 5,767 3,768 2,770 4,772 13,773 10,774 2,777 1,782 1,786 1,790 1,793 27,794 4,796 4,802 1,808 0.75,809 3,828 1,829 3,832 1,859 3,864 2,868 27,876 6,878 2,880 2,881 1,893 5.6,896 1,898 2,901 13.5,902 10.2,903 6.056,904 3.382,907 2.15,908 1.28,909 0.969,910 5.398,911 9.83,912 3.638,913 4.174,914 4.727,915 5.226,916 5.721,917 5.86,918 6.101,919 6.215,920 6.245,921 6.334,922 0.875,923 44,924 10.052,926 4.289,927 0.026,929 7.562,931 19.797,933 16.838,936 2.062,937 55.667,939 1,940 1,941 317.82,942 127.198,943 3.124,945 47.145,948 127.198,949 364.964,950 3.124,951 21.766,952 14.35,953 66.334,954 30.278,955 44.739,957 317.82,959 317.82,960 130.322,961 47.145,964 270.735,965 94.229,968 14.35,969 115.972,972 317.82,973 50.269,974 127.198,977 317.82,978 39.098,979 91.224,981 47.145,982 317.82,983 50.269,984 127.198,986 0.576,987 0.355,988 0.195,989 0.107,990 21,991 9,992 0.088,993 5,994 1,995 1.095,996 3.938,997 232.283,998 0.095,999 21,1000 120.382,1005 18.367,1006 7.935,1007 3.704,1009 50.269,1010 14.44,1015 4.575,1018 495.286,1019 37,1024 12.917,1028 0.274,1031 53.571,1032 60.524,1034 0.237,1035 0.554,1036 0.751,1037 0.825,1038 0.841,1039 0.847,1040 4.89,1041 1.343,1042 5.826,1043 4.466,1044 4.443,1045 4.86,1046 2.102,1047 6.653,1048 4.392,1049 6.063,1050 1.149,1051 7.394,1052 3.518,1053 4.007,1054 4.59,1055 0.325,1056 7.57,1057 3.943,1058 7.358,1059 1,1060 9.062,1061 2.699,1062 6.052,1063 6.954,1064 2.195,1065 10.676,1066 5.966,1067 8.688,1068 1,1069 10.788,1070 2.275,1071 6.463,1072 7.522,1073 0.268,1074 12.417,1075 6.367,1076 10.053,1077 0.579,1078 12.551,1079 2.136,1080 7.953,1081 9.366,1082 2.449,1083 15.031,1084 7.846,1085 11.442,1086 0.373,1087 14.338,1088 1.204,1089 8.753,1090 10.328,1091 0.188,1092 17.118,1093 8.644,1094 12.85,1095 0.099,1096 16.143,1097 0.531,1098 10.023,1099 11.953,1100 2.807,1101 19.564,1102 9.911,1103 3.222,1104 -0.319,1105 17.962,1106 0.227,1107 11.006,1108 13.119,1109 0.125,1110 21.805,1111 10.899,1112 2.872,1113 10.926,1114 19.792,1115 -0.667,1116 12.19,1117 14.639,1118 3.225,1119 24.196,1120 12.086,1121 2.738,1122 9.06,1123 21.63,1124 4.173,1125 13.257,1126 15.916,1127 0.082,1128 26.508,1129 13.165,1130 2.418,1131 8.877,1132 23.475,1133 3.55,1134 14.411,1135 17.384,1136 3.677,1137 28.883,1138 14.327,1139 1.968,1140 7.336,1141 25.327,1142 3.385,1143 15.52,1144 18.723,1145 0.054,1146 31.229,1147 15.449,1148 1.85,1149 6.129,1150 27.184,1151 2.633,1152 16.666,1153 20.166,1154 4.146,1155 33.603,1156 16.606,1157 1.727,1158 5.42,1159 29.045,1160 2.484,1161 17.796,1162 21.541,1163 0.035,1164 35.967,1165 17.75,1166 9003,1167 13650,1168 20.285,1169 35.267,1170 44.877,1171 46.553,1172 46.543,1173 44.596,1174 44.678,1175 54.613,1176 7.595,1177 129.605,1178 43.423,1179 5.528,1180 5.793,1181 6.526,1182 5.262,1183 5.222,1184 7.173,1185 2.555,1186 18.021,1187 5.24,1188 11.731,1189 1.496,1190 1.552,1191 1.551,1192 1.487,1193 1.489,1194 1.82,1195 0.253,1196 4.32,1197 1.447,1198 4.063,1199 4.086,1200 4.01,1201 3.985,1202 7.426,1203 3.987,1204 3.941,1205 3.977,1206 3.869,1207 3.851,1208 4.915,1209 3.85,1210 3.764,1211 3.807,1212 3.653,1213 3.67,1214 4.765,1215 3.659,1216 3.541,1217 3.571,1218 3.451,1219 3.374,1220 4.495,1221 3.385,1222 3.25,1223 3.315,1224 3.064,1225 2.99,1226 4.331,1227 2.995,1228 3.205,1229 3.279,1230 3.047,1231 2.963,1232 4.241,1233 2.973,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.829,1239 2.91,1240 3.025,1241 3.103,1242 2.86,1243 2.821,1244 3.674,1245 2.811,1246 0.151,1247 0.126,1248 0.224,1249 0.141,1250 0.107,1251 4.528,1252 0.139,1253 3.793,1254 0.043,1255 6.724,1256 0.364,1257 4.227,1258 0.108,1259 3.222,1260 4.173,1261 1.277,1262 10.926,1263 3.24,1264 1.938,1265 1.897,1266 2.101,1267 2.073,1268 1.49,1269 2.085,1270 1.881,1271 1.872,1272 1.98,1273 1.978,1274 1.199,1275 1.969,1276 1.811,1277 1.771,1278 1.953,1279 1.918,1280 1.098,1281 1.94,1282 1.549,1283 1.502,1284 1.759,1285 1.718,1286 1.015,1287 1.734,1288 1.233,1289 1.185,1290 1.575,1291 1.522,1292 0.825,1293 1.538,1294 1.189,1295 1.112,1296 1.567,1297 1.52,1298 0.647,1299 1.533,1300 1.153,1301 1.064,1302 1.513,1303 1.376,1304 0.575,1305 1.429,1306 1.073,1307 1.002,1308 1.355,1309 1.3,1310 0.569,1311 1.32,1312 4.111,1314 5.434,1315 2.398,1316 6.963,1317 4.844,1318 8.58,1319 7.018,1320 10.242,1322 3.251,1328 6.27,1330 10.76,1332 0.724,1333 2.456,1340 33.014,1341 73.585,1342 172.268,1343 233.338,1344 256.499,1345 261.254,1346 263.254,1347 45.605,1348 7.68,1349 38.77,1350 38.77,1351 23,1352 12.603,1353 3.807,1354 3,1355 40.445,1356 111,1357 109,1358 0.179,1359 200.112,1360 354.11,1361 480.033,1362 23016,1364 18.803,1365 0.696,1366 0.597,1367 18.803,1368 16.111,1369 13.19,1370 0.44,1371 0.326,1372 9.658,1373 12.719,1374 9.378,1375 7.763,1376 13.19,1377 9.784,1378 11.501,1379 0.274,1380 0.182,1381 11.501,1382 7.631,1383 10.37,1384 0.179,1385 0.105,1386 10.37,1387 6.066,1388 8.599,1389 0.113,1390 0.06,1391 8.599,1392 4.556,1393 7.101,1394 0.073,1395 0.035,1396 7.101,1397 3.398,1398 0.285,1399 82.524,1400 0.222,1401 26.147,1402 0.48,1403 144,1404 374.852,1405 154.275,1406 355.286,1407 488.19,1408 336,1409 172,1410 353.544,1411 183.247,1412 360.992,1413 527.58,1414 338,1415 8.244}
{0 CHEMBL1083983,1 1.342,2 16.371,3 6.541,4 42.789,5 143.746,6 6.601,7 0.538,8 4.33,9 4.467,10 3.801,11 3.907,12 5.282,13 3.852,14 4.905,15 5.097,16 4.129,17 4.326,18 5.793,19 4.232,20 5.215,21 5.472,22 4.176,23 4.449,24 6.025,25 4.323,26 5.208,27 5.463,28 4.094,29 4.412,30 6.037,31 4.277,32 5.193,33 5.456,34 3.996,35 4.381,36 5.975,37 4.226,38 5.198,39 5.468,40 3.928,41 4.349,42 5.994,43 4.175,44 5.174,45 5.464,46 3.776,47 4.269,48 5.923,49 4.074,50 5.063,51 5.359,52 3.638,53 4.145,54 5.775,55 3.947,56 0.08,57 1.024,58 16.439,59 6.838,60 9.337,61 9.711,62 0.213,63 1.707,64 29.959,65 11.987,66 21.645,67 17.314,68 0.314,69 2.149,70 42.049,71 15.494,72 37.114,73 22.834,74 0.399,75 2.14,76 42.12,77 14.754,78 43.815,79 21.876,80 0.331,81 2.058,82 41.256,83 15.11,84 37.973,85 22.256,86 0.39,87 2.004,88 41.59,89 15.753,90 44.895,91 22.863,92 0.345,93 1.901,94 40.788,95 15.431,96 44.707,97 22.425,98 0.292,99 1.685,100 36.488,101 13.72,102 37.733,103 20.049,104 2,105 52,106 0.209,107 0.521,108 0.695,109 0.833,110 0.877,111 0.894,112 3.587,113 1.02,114 -4.8,115 -4.71,116 -4.43,121 42.3,123 10,127 2,144 8,145 4,146 1,148 2,153 1,154 1,160 1,176 18,180 5,183 1,185 8,187 18,192 5,197 8,200 13,206 4,209 1,211 9,214 13,219 2,224 5,227 17,232 3,235 1,236 1,237 1,239 18,244 4,248 1,249 2,251 16,256 2,261 2,264 12,269 1,272 1,274 4,277 11,281 2325,282 24.518,283 24.518,284 24.518,285 24.518,286 24.518,287 21.919,288 20.323,289 15.1,290 24.72,291 19.334,292 19.334,293 19.334,294 19.334,295 19.334,296 15.295,297 19.15,298 7.233,299 19.648,300 4.807,301 2.8,302 1.676,303 0.789,304 0.507,305 0.394,306 4.303,312 1,313 1282,314 4.123,317 90.272,318 379.566,321 167.237,322 308.877,325 2.469,326 21.219,329 1,330 0.67,331 0.83,332 0.8,333 0.5,334 0.83,335 0.5,336 0.73,337 73,338 573,339 4.64,340 3.58,341 6.829,342 4.207,343 3.226,344 4.564,345 1.907,346 11.348,347 3.162,348 4.524,349 3.361,350 6.526,351 4.049,352 3.062,353 4.473,354 0.4,355 10.265,356 3.022,357 3.914,358 3.127,359 5.982,360 3.524,361 2.532,362 3.437,363 0.149,364 8.37,365 2.512,366 3.668,367 2.669,368 5.381,369 3.389,370 2.383,371 2.893,373 6.711,374 2.385,375 3.522,376 2.356,377 5.173,378 3.136,379 2.182,380 2.872,382 6.283,383 2.079,384 3.384,385 2.192,386 4.979,387 2.983,388 1.993,389 2.705,391 5.765,392 1.971,393 3.046,394 1.92,395 4.183,396 2.823,397 1.827,398 2.318,400 3.785,401 1.818,402 2.94,403 1.727,404 4.116,405 2.521,406 1.546,407 2.142,409 3.741,410 1.512,411 2.86,412 1.546,413 3.979,414 2.518,415 1.537,416 1.868,418 3.352,419 1.501,420 2.657,421 1.54,422 3.812,423 2.43,424 1.447,425 1.723,427 3.329,428 1.419,429 2.617,430 1.441,431 3.612,432 2.345,433 1.347,434 1.648,436 3.014,437 1.343,438 2.497,439 1.35,440 3.594,441 2.242,442 1.247,443 1.496,445 2.902,446 1.24,447 2.464,448 1.3,449 3.585,450 2.197,451 1.203,452 1.459,454 2.798,455 1.194,456 2.169,457 1.25,458 3.419,459 1.994,460 1.027,461 1.102,463 2.323,464 0.99,465 2.083,466 1.002,467 3.215,468 1.758,469 0.786,470 0.998,472 1.799,473 0.762,474 16.933,475 0.484,476 0.551,477 0.016,478 41.75,479 1.193,480 20,481 0.571,482 21.75,483 0.621,484 34.514,485 0.986,486 37.667,487 0.531,488 28.271,489 0.808,490 7.499,491 0.214,492 9.794,493 0.28,494 0.02,496 0.266,501 0.843,502 1.214,503 0.918,504 1.052,505 0.584,506 0.997,507 0.745,508 1.234,509 1.004,510 1.14,511 0.581,512 1.099,513 1.053,514 1.043,515 0.929,516 0.945,517 0.982,518 0.928,519 1.363,520 1.026,521 1.115,522 0.994,523 1.234,524 1.023,525 1.159,526 1.02,527 1.097,528 1.038,529 1.024,530 1.054,531 1.019,532 1.001,533 1.065,534 1.071,535 1.173,536 1.075,537 1.052,538 0.935,539 1.027,540 1.012,541 1.21,542 1.021,543 1.058,544 0.92,545 0.995,546 0.967,547 1.194,548 0.979,549 4,550 0.086,551 3.333,552 1.979,553 1.462,554 0.639,555 0.513,556 0.237,557 0.183,558 0.107,559 24616,560 49786,561 2.176,562 50.7,563 12,564 12,565 1,567 3,568 4,569 4,572 1.757,573 2.121,574 3.884,575 0.707,582 95.308,583 1.342,584 3.349,585 4.473,586 5.361,587 5.643,588 5.755,589 3.22,590 4.479,591 5.109,592 4.176,593 2484.62,594 8.902,595 44463.2,600 436.632,601 0.997,602 5.096,603 0.103,604 0.003,605 0.064,606 0.037,607 0.031,608 0.015,609 0.013,610 0.007,611 0.007,612 0.004,613 0.285,614 0.17,615 0.63,616 0.293,617 197.398,618 -0.028,619 -0.012,620 0.052,621 0.04,622 0.026,623 0.051,624 0.08,625 -0.123,626 -0.033,627 -0.092,628 0.071,629 -0.076,630 -0.027,631 -0.03,632 0.063,633 0.04,634 -0.02,635 0.055,636 -0.128,637 0.014,638 -0.106,639 -0.034,640 -0.107,641 -0.062,642 -0.112,643 -0.015,644 -0.105,645 -0.063,646 -0.058,647 -0.077,648 0.043,649 -0.04,650 -0.077,651 -0.088,652 0.003,653 -0.092,654 -0.019,655 -0.011,656 -0.041,657 -0.038,658 -0.023,659 -0.041,660 -0.052,661 -0.006,662 -0.01,663 0.004,664 -0.048,665 0.001,666 1.522,667 5.254,668 0.657,669 40.351,670 0.984,671 1.125,672 3.571,673 12.752,674 0.657,675 3.689,676 3.97,677 4.263,678 4.543,679 4.771,680 4.812,681 4.92,682 4.997,683 4.97,684 4.844,685 9.98,686 0.609,687 468.7,688 3.689,689 5.209,690 6.057,691 6.923,692 7.791,693 8.669,694 9.548,695 10.432,696 11.317,697 12.205,698 5.6,703 1,705 1,706 1,708 1,714 4,715 9,716 1,717 1,720 4,722 21,734 1,741 71,743 22,744 2,745 39,747 75,748 30,749 17,750 4,751 8,756 5,757 9,767 4,770 10,772 18,773 12,777 1,782 1,786 1,793 36,794 4,795 3,796 5,802 4,808 0.4,809 1,822 1,824 1,828 1,829 4,832 1,833 2,843 1,859 2,868 35,876 12,877 2,893 1.4,896 1,901 16.5,902 12.367,903 7.833,904 4.871,907 4.102,908 1.495,909 1.018,910 7.999,911 12.391,912 3.942,913 4.53,914 5.157,915 5.78,916 6.326,917 6.622,918 6.989,919 7.318,920 7.41,921 7.276,922 1,923 53,924 13.023,926 5.5,927 0.026,929 7.457,931 25.986,933 22.005,936 1.957,937 68.5,941 388.446,942 140.438,943 69.593,945 25.145,948 140.438,949 413.591,950 69.593,952 47.567,953 84.857,954 64.646,955 35.96,956 13.915,957 376.675,959 388.446,960 210.03,961 25.145,964 341.362,965 72.229,968 69.254,969 105.98,970 34.796,972 388.446,973 94.737,974 140.438,977 388.446,978 55.58,979 84.857,980 52.807,981 41.93,982 388.446,983 94.737,984 140.438,986 0.563,987 0.33,988 0.189,989 0.105,990 24,991 9,992 0.147,993 11,994 3,995 1.261,996 4.929,997 311.689,998 0.261,999 23,1000 175.525,1005 23.877,1006 11.726,1007 5.873,1008 4.711,1009 77.952,1010 18.791,1011 4.934,1012 3.283,1015 5.252,1017 52.807,1018 623.621,1019 50.5,1024 12.254,1028 0.145,1031 69.872,1032 79.846,1034 0.218,1035 0.545,1036 0.727,1037 0.872,1038 0.918,1039 0.936,1040 5.155,1041 1.546,1042 5.999,1043 3.785,1044 4.654,1045 5.218,1046 1.997,1047 6.786,1048 4.621,1049 6.331,1050 1.537,1051 7.53,1052 3.741,1053 4.007,1054 4.997,1055 1.593,1056 7.662,1057 3.972,1058 7.627,1059 1.447,1060 9.172,1061 3.352,1062 6.201,1063 7.469,1064 2.907,1065 10.819,1066 6.136,1067 8.969,1068 1.347,1069 10.887,1070 3.329,1071 6.494,1072 8.202,1073 3.032,1074 12.626,1075 6.42,1076 10.354,1077 1.247,1078 12.652,1079 3.014,1080 8.066,1081 10.096,1082 4.038,1083 15.275,1084 7.969,1085 11.77,1086 1.203,1087 14.45,1088 2.902,1089 8.819,1090 11.26,1091 4.409,1092 17.437,1093 8.708,1094 13.209,1095 1.027,1096 16.273,1097 2.798,1098 10.132,1099 12.926,1100 5.25,1101 19.925,1102 10.002,1103 3.226,1104 0.786,1105 18.113,1106 2.323,1107 11.106,1108 14.284,1109 5.75,1110 22.228,1111 10.957,1112 3.062,1113 11.348,1114 19.967,1115 1.799,1116 12.315,1117 15.857,1118 6.501,1119 24.662,1120 12.147,1121 2.532,1122 10.265,1123 21.83,1124 4.564,1125 13.388,1126 17.3,1127 7.068,1128 27.024,1129 13.2,1130 2.383,1131 8.37,1132 23.701,1133 4.473,1134 14.558,1135 18.835,1136 7.771,1137 29.44,1138 14.352,1139 2.182,1140 6.711,1141 25.579,1142 3.437,1143 15.676,1144 20.316,1145 8.374,1146 31.829,1147 15.45,1148 1.993,1149 6.283,1150 27.461,1151 2.893,1152 16.833,1153 21.835,1154 9.051,1155 34.241,1156 16.588,1157 1.827,1158 5.765,1159 29.348,1160 2.872,1161 17.971,1162 23.332,1163 9.674,1164 36.643,1165 17.706,1166 22398,1167 31999,1168 27.216,1169 46.66,1170 57.11,1171 58.316,1172 58.101,1173 57.02,1174 57.045,1175 74.164,1176 4.912,1177 156.877,1178 56.117,1179 5.61,1180 5.58,1181 6.719,1182 5.247,1183 5.226,1184 7.564,1185 3.306,1186 18.879,1187 5.162,1188 8.105,1189 1.464,1190 1.495,1191 1.49,1192 1.462,1193 1.463,1194 1.902,1195 0.126,1196 4.022,1197 1.439,1198 4.141,1199 4.175,1200 4.095,1201 4.061,1202 7.429,1203 4.065,1204 4.098,1205 4.129,1206 4.058,1207 4.024,1208 4.986,1209 4.028,1210 3.78,1211 3.844,1212 3.647,1213 3.653,1214 4.955,1215 3.64,1216 3.732,1217 3.781,1218 3.616,1219 3.629,1220 4.413,1221 3.617,1222 3.642,1223 3.699,1224 3.513,1225 3.484,1226 4.311,1227 3.484,1228 3.478,1229 3.549,1230 3.336,1231 3.324,1232 4.273,1233 3.318,1234 3.365,1235 3.428,1236 3.245,1237 3.197,1238 4.17,1239 3.202,1240 3.248,1241 3.317,1242 3.1,1243 3.115,1244 3.983,1245 3.103,1246 0.119,1247 0.092,1248 0.175,1249 0.108,1250 0.083,1251 4.64,1252 0.117,1253 3.58,1254 0.049,1255 6.829,1256 0.291,1257 4.207,1258 0.081,1259 3.226,1260 4.564,1261 1.907,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.436,1269 2.163,1270 1.941,1271 1.918,1272 2.042,1273 2.02,1274 1.365,1275 2.028,1276 1.772,1277 1.712,1278 2.014,1279 1.952,1280 1.242,1281 1.973,1282 1.754,1283 1.706,1284 1.949,1285 1.873,1286 1.153,1287 1.902,1288 1.676,1289 1.624,1290 1.87,1291 1.859,1292 1.072,1293 1.868,1294 1.508,1295 1.436,1296 1.765,1297 1.73,1298 1.03,1299 1.743,1300 1.345,1301 1.286,1302 1.548,1303 1.582,1304 0.76,1305 1.58,1306 1.249,1307 1.19,1308 1.485,1309 1.438,1310 0.691,1311 1.46,1312 4.369,1314 5.659,1315 2.398,1316 7.154,1317 4.727,1318 8.754,1319 6.823,1320 10.417,1328 12.282,1329 6.848,1340 43.229,1341 95.308,1342 237.799,1343 317.612,1344 380.632,1345 400.632,1346 408.632,1347 55.473,1348 8.289,1349 69.81,1350 69.81,1351 29,1352 12.736,1353 4.524,1354 3.644,1355 52.948,1356 219,1357 176,1358 0.113,1359 263.473,1360 448.55,1361 634.635,1362 67093,1364 23.874,1365 0.682,1366 0.587,1367 23.874,1368 20.537,1369 17.293,1370 0.443,1371 0.34,1372 13.167,1373 16.955,1374 12.922,1375 10.705,1376 17.293,1377 13.255,1378 14.743,1379 0.284,1380 0.186,1381 14.743,1382 9.687,1383 12.637,1384 0.181,1385 0.103,1386 12.637,1387 7.193,1388 10.759,1389 0.116,1390 0.057,1391 10.759,1392 5.294,1393 8.908,1394 0.076,1395 0.033,1396 8.908,1397 3.823,1398 0.191,1399 106.105,1400 0.192,1401 33.586,1402 0.279,1403 182,1404 404.379,1405 191.43,1406 403.213,1407 569.34,1408 382,1409 213,1410 429.805,1411 222.488,1412 438.163,1413 643.1,1414 418,1415 10.699}
{0 CHEMBL1083984,1 1.331,2 17.194,3 6.998,4 48.965,5 148.347,6 6.523,7 0.525,8 4.368,9 4.505,10 3.827,11 3.941,12 5.308,13 3.884,14 4.946,15 5.14,16 4.15,17 4.361,18 5.821,19 4.262,20 5.259,21 5.52,22 4.197,23 4.485,24 6.054,25 4.353,26 5.253,27 5.512,28 4.117,29 4.449,30 6.065,31 4.309,32 5.238,33 5.505,34 4.021,35 4.419,36 6.005,37 4.259,38 5.243,39 5.516,40 3.954,41 4.388,42 6.024,43 4.21,44 5.22,45 5.512,46 3.806,47 4.309,48 5.953,49 4.112,50 5.116,51 5.416,52 3.674,53 4.191,54 5.821,55 3.989,56 0.085,57 1.064,58 17.307,59 7.189,60 9.855,61 10.248,62 0.222,63 1.773,64 31.469,65 12.586,66 22.589,67 18.234,68 0.325,69 2.231,70 43.978,71 16.247,72 38.09,73 24.013,74 0.408,75 2.221,76 44.06,77 15.51,78 44.669,79 23.073,80 0.34,81 2.138,82 43.146,83 15.862,84 38.897,85 23.425,86 0.4,87 2.084,88 43.428,89 16.495,90 45.798,91 23.996,92 0.327,93 1.978,94 42.503,95 16.054,96 44.313,97 23.46,98 0.338,99 1.772,100 38.397,101 14.37,102 39.829,103 21.032,104 2,105 53,106 0.205,107 0.509,108 0.682,109 0.825,110 0.878,111 0.895,112 3.615,113 1.032,114 -4.99,115 -4.89,116 -4.59,121 41.9,123 11,127 2,144 8,145 4,146 1,148 2,153 1,154 1,160 1,176 19,180 5,183 1,185 8,187 19,192 5,197 8,200 14,206 4,209 1,211 9,214 14,219 2,224 5,227 17,232 3,235 1,236 1,237 3,239 18,244 4,249 2,251 16,256 3,260 1,261 2,264 15,269 1,274 1,277 14,281 2544,282 25.225,283 25.225,284 25.225,285 25.225,286 25.225,287 22.626,288 20.323,289 15.6,290 25.427,291 19.834,292 19.834,293 19.834,294 19.834,295 19.834,296 15.795,297 19.15,298 7.483,299 20.148,300 4.878,301 2.907,302 1.785,303 0.858,304 0.514,305 0.405,306 4.329,312 1,313 1382,314 4.243,317 95.116,318 399.597,321 175.976,322 325.183,325 2.606,326 21.317,329 1,330 0.67,331 0.83,332 0.8,333 0.5,334 0.83,335 0.5,336 0.73,337 75,338 619,339 4.64,340 3.58,341 6.829,342 4.207,343 3.226,344 4.564,345 1.907,346 11.348,347 3.162,348 4.524,349 3.361,350 6.526,351 4.049,352 3.062,353 4.473,354 0.4,355 10.265,356 3.022,357 3.914,358 3.127,359 5.982,360 3.524,361 2.532,362 3.437,363 0.149,364 8.37,365 2.512,366 3.668,367 2.669,368 5.381,369 3.389,370 2.383,371 2.893,373 6.711,374 2.385,375 3.522,376 2.356,377 5.173,378 3.136,379 2.182,380 2.872,382 6.283,383 2.08,384 3.384,385 2.192,386 4.979,387 2.983,388 1.993,389 2.705,391 5.765,392 1.971,393 3.046,394 1.932,395 4.183,396 2.857,397 1.86,398 2.318,400 3.812,401 1.854,402 2.941,403 1.761,404 4.116,405 2.551,406 1.57,407 2.142,409 3.755,410 1.538,411 2.886,412 1.572,413 3.983,414 2.518,415 1.546,416 1.893,418 3.403,419 1.501,420 2.661,421 1.546,422 3.841,423 2.497,424 1.505,425 1.725,427 3.329,428 1.491,429 2.637,430 1.449,431 3.636,432 2.345,433 1.347,434 1.669,436 3.12,437 1.343,438 2.541,439 1.35,440 3.594,441 2.242,442 1.247,443 1.544,445 2.902,446 1.24,447 2.485,448 1.344,449 3.59,450 2.208,451 1.22,452 1.484,454 2.811,455 1.205,456 2.212,457 1.3,458 3.479,459 2.109,460 1.134,461 1.196,463 2.515,464 1.102,465 2.145,466 1.017,467 3.256,468 1.811,469 0.84,470 1.025,472 1.921,473 0.814,474 17.433,475 0.484,476 0.551,477 0.015,478 42.25,479 1.174,480 20,481 0.556,482 22.25,483 0.618,484 36.426,485 1.012,486 38.967,487 0.527,488 28.443,489 0.79,490 7.499,491 0.208,492 10.294,493 0.286,494 0.019,496 0.258,501 0.845,502 1.223,503 0.933,504 1.066,505 0.585,506 1.012,507 0.746,508 1.242,509 1.017,510 1.152,511 0.581,512 1.111,513 1.044,514 1.04,515 0.927,516 0.945,517 0.972,518 0.928,519 1.348,520 1.024,521 1.105,522 0.992,523 1.22,524 1.019,525 1.147,526 1.018,527 1.087,528 1.033,529 1.012,530 1.048,531 1.009,532 0.999,533 1.057,534 1.065,535 1.16,536 1.068,537 1.072,538 0.974,539 1.021,540 1.017,541 1.204,542 1.019,543 1.067,544 0.861,545 0.996,546 0.936,547 1.185,548 0.96,549 4,550 0.086,551 3.333,552 1.979,553 1.462,554 0.639,555 0.513,556 0.237,557 0.183,558 0.127,559 27195,560 54349,561 2.171,562 51.4,563 14,564 12,565 1,567 3,568 4,569 4,572 1.763,573 2.118,574 3.947,575 0.69,582 98.498,583 1.331,584 3.302,585 4.425,586 5.351,587 5.696,588 5.804,589 3.258,590 4.482,591 5.15,592 4.248,593 2676.38,594 8.978,595 49720.7,600 459.5,601 0.983,602 5.137,603 0.1,604 0.003,605 0.063,606 0.037,607 0.03,608 0.015,609 0.013,610 0.007,611 0.006,612 0.005,613 0.28,614 0.17,615 0.63,616 0.287,617 205.742,618 -0.024,619 -0.012,620 0.052,621 0.038,622 0.031,623 0.05,624 0.081,625 -0.127,626 -0.037,627 -0.097,628 0.074,629 -0.08,630 -0.02,631 -0.028,632 0.066,633 0.041,634 -0.013,635 0.057,636 -0.117,637 0.014,638 -0.094,639 -0.029,640 -0.097,641 -0.055,642 -0.103,643 -0.014,644 -0.094,645 -0.057,646 -0.05,647 -0.07,648 0.048,649 -0.037,650 -0.07,651 -0.082,652 0.009,653 -0.085,654 -0.046,655 -0.049,656 -0.037,657 -0.044,658 -0.026,659 -0.041,660 -0.031,661 0.06,662 -0.011,663 0.027,664 -0.044,665 0.012,666 1.516,667 5.244,668 0.639,669 43.444,670 0.983,671 1.125,672 3.761,673 14.147,674 0.654,675 3.714,676 3.989,677 4.277,678 4.554,679 4.779,680 4.82,681 4.927,682 5.004,683 4.977,684 4.852,685 10.477,686 0.605,687 482.73,688 3.714,689 5.231,690 6.075,691 6.938,692 7.804,693 8.68,694 9.557,695 10.439,696 11.323,697 12.21,698 5.4,703 1,705 1,706 1,708 1,714 4,715 9,716 1,717 1,720 4,722 21,734 1,741 74,743 22,744 2,745 40,747 78,748 31,749 17,750 4,751 8,756 5,757 9,767 4,770 11,772 18,773 13,777 1,782 1,786 1,793 38,794 4,795 3,796 5,802 4,808 0.4,809 1,822 1,824 1,828 1,829 4,832 1,833 2,843 1,859 2,868 36,876 13,877 2,893 1.4,896 1,901 17,902 12.867,903 8.083,904 5.121,907 4.079,908 1.49,909 1.013,910 8.559,911 12.396,912 3.961,913 4.541,914 5.163,915 5.783,916 6.327,917 6.624,918 6.99,919 7.319,920 7.411,921 7.277,922 0.909,923 54,924 13.401,926 5.642,927 0.026,929 7.444,931 26.802,933 22.672,936 1.944,937 70,941 411.989,942 142.972,943 69.593,945 25.145,948 142.972,949 437.133,950 69.593,952 50.102,953 84.857,954 64.646,955 35.96,956 13.915,957 400.217,959 411.989,960 212.565,961 25.145,964 364.904,965 72.229,968 71.788,969 105.98,970 34.796,972 411.989,973 94.737,974 142.972,977 411.989,978 58.115,979 84.857,980 52.807,981 41.93,982 411.989,983 94.737,984 142.972,986 0.562,987 0.328,988 0.187,989 0.104,990 24,991 9,992 0.154,993 12,994 3,995 1.261,996 5.046,997 320.206,998 0.261,999 23,1000 186.117,1005 24.833,1006 12.408,1007 6.302,1008 4.733,1009 77.952,1010 18.825,1011 4.94,1012 3.284,1015 5.284,1017 52.807,1018 649.698,1019 51.5,1024 12.244,1028 0.15,1031 72.756,1032 83.261,1034 0.214,1035 0.532,1036 0.713,1037 0.862,1038 0.917,1039 0.935,1040 5.172,1041 1.57,1042 6.014,1043 3.812,1044 4.673,1045 5.228,1046 1.997,1047 6.795,1048 4.641,1049 6.344,1050 1.546,1051 7.541,1052 3.755,1053 4.007,1054 4.997,1055 1.593,1056 7.662,1057 3.972,1058 7.636,1059 1.505,1060 9.18,1061 3.403,1062 6.213,1063 7.473,1064 2.907,1065 10.821,1066 6.149,1067 8.976,1068 1.347,1069 10.892,1070 3.329,1071 6.494,1072 8.202,1073 3.032,1074 12.626,1075 6.42,1076 10.359,1077 1.247,1078 12.655,1079 3.12,1080 8.072,1081 10.096,1082 4.038,1083 15.275,1084 7.976,1085 11.773,1086 1.22,1087 14.452,1088 2.902,1089 8.819,1090 11.26,1091 4.409,1092 17.437,1093 8.708,1094 13.211,1095 1.134,1096 16.274,1097 2.811,1098 10.135,1099 12.926,1100 5.25,1101 19.925,1102 10.005,1103 3.226,1104 0.84,1105 18.114,1106 2.515,1107 11.106,1108 14.284,1109 5.75,1110 22.228,1111 10.957,1112 3.062,1113 11.348,1114 19.967,1115 1.921,1116 12.316,1117 15.857,1118 6.501,1119 24.662,1120 12.149,1121 2.532,1122 10.265,1123 21.83,1124 4.564,1125 13.388,1126 17.3,1127 7.068,1128 27.024,1129 13.2,1130 2.383,1131 8.37,1132 23.701,1133 4.473,1134 14.558,1135 18.835,1136 7.771,1137 29.44,1138 14.353,1139 2.182,1140 6.711,1141 25.579,1142 3.437,1143 15.676,1144 20.316,1145 8.374,1146 31.829,1147 15.45,1148 1.993,1149 6.283,1150 27.461,1151 2.893,1152 16.833,1153 21.835,1154 9.051,1155 34.241,1156 16.588,1157 1.86,1158 5.765,1159 29.348,1160 2.872,1161 17.971,1162 23.332,1163 9.674,1164 36.643,1165 17.706,1166 24770,1167 35171,1168 27.909,1169 48.421,1170 58.328,1171 59.546,1172 59.377,1173 58.233,1174 58.27,1175 75.38,1176 4.912,1177 159.308,1178 57.343,1179 5.613,1180 5.58,1181 6.739,1182 5.247,1183 5.226,1184 7.564,1185 3.306,1186 18.879,1187 5.162,1188 8.312,1189 1.458,1190 1.489,1191 1.484,1192 1.456,1193 1.457,1194 1.885,1195 0.123,1196 3.983,1197 1.434,1198 4.141,1199 4.175,1200 4.095,1201 4.061,1202 7.429,1203 4.065,1204 4.098,1205 4.129,1206 4.058,1207 4.024,1208 4.986,1209 4.028,1210 3.791,1211 3.856,1212 3.653,1213 3.659,1214 4.955,1215 3.645,1216 3.732,1217 3.781,1218 3.616,1219 3.643,1220 4.413,1221 3.629,1222 3.661,1223 3.72,1224 3.535,1225 3.497,1226 4.311,1227 3.498,1228 3.516,1229 3.584,1230 3.364,1231 3.374,1232 4.274,1233 3.361,1234 3.385,1235 3.449,1236 3.271,1237 3.215,1238 4.187,1239 3.223,1240 3.282,1241 3.354,1242 3.135,1243 3.145,1244 3.993,1245 3.136,1246 0.116,1247 0.089,1248 0.171,1249 0.105,1250 0.081,1251 4.64,1252 0.114,1253 3.58,1254 0.048,1255 6.829,1256 0.284,1257 4.207,1258 0.079,1259 3.226,1260 4.564,1261 1.907,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.437,1269 2.163,1270 1.941,1271 1.918,1272 2.044,1273 2.02,1274 1.387,1275 2.028,1276 1.787,1277 1.725,1278 2.029,1279 1.96,1280 1.244,1281 1.985,1282 1.754,1283 1.709,1284 1.949,1285 1.874,1286 1.17,1287 1.902,1288 1.684,1289 1.632,1290 1.881,1291 1.87,1292 1.123,1293 1.879,1294 1.559,1295 1.488,1296 1.814,1297 1.762,1298 1.041,1299 1.782,1300 1.372,1301 1.311,1302 1.592,1303 1.615,1304 0.818,1305 1.611,1306 1.278,1307 1.218,1308 1.509,1309 1.482,1310 0.751,1311 1.503,1312 4.394,1314 5.68,1315 2.398,1316 7.169,1317 4.727,1318 8.765,1319 6.823,1320 10.424,1328 13.675,1329 6.865,1340 44.756,1341 98.498,1342 244.352,1343 327.442,1344 395.99,1345 421.5,1346 429.5,1347 58.312,1348 8.317,1349 69.81,1350 69.81,1351 29,1352 12.742,1353 4.524,1354 3.644,1355 55.283,1356 237,1357 188,1358 0.109,1359 273.066,1360 465.85,1361 658.04,1362 71114,1364 24.581,1365 0.683,1366 0.59,1367 24.581,1368 21.244,1369 17.793,1370 0.445,1371 0.344,1372 13.667,1373 17.455,1374 13.412,1375 11.121,1376 17.793,1377 13.755,1378 15.097,1379 0.285,1380 0.189,1381 15.097,1382 10.04,1383 12.887,1384 0.182,1385 0.105,1386 12.887,1387 7.443,1388 10.935,1389 0.116,1390 0.058,1391 10.935,1392 5.471,1393 9.033,1394 0.077,1395 0.033,1396 9.033,1397 3.948,1398 0.185,1399 109.105,1400 0.189,1401 34.518,1402 0.266,1403 186,1404 408.379,1405 195.43,1406 407.374,1407 575.1,1408 386,1409 217,1410 433.805,1411 226.488,1412 442.325,1413 648.86,1414 422,1415 10.222}
{0 CHEMBL1084090,1 1.49,2 19.132,3 6.126,4 37.525,5 146.714,6 7.092,7 0.439,8 4.368,9 4.481,10 3.887,11 3.875,12 5.435,13 3.854,14 4.921,15 5.099,16 4.209,17 4.24,18 5.981,19 4.192,20 5.173,21 5.388,22 4.268,23 4.361,24 6.153,25 4.292,26 5.223,27 5.458,28 4.226,29 4.318,30 6.274,31 4.238,32 5.133,33 5.357,34 4.101,35 4.276,36 6.13,37 4.183,38 5.132,39 5.375,40 4.029,41 4.225,42 6.088,43 4.116,44 5.047,45 5.281,46 3.934,47 4.154,48 5.981,49 4.048,50 4.987,51 5.21,52 3.905,53 4.113,54 5.947,55 4.011,56 0.016,57 1.004,58 15.785,59 7.002,60 8.507,61 9.137,62 0.455,63 1.595,64 30.217,65 11.229,66 42.172,67 15.306,68 0.363,69 1.901,70 40.47,71 14.541,72 49.045,73 19.873,74 0.816,75 1.911,76 44.253,77 14.563,78 89.624,79 20.314,80 0.508,81 1.795,82 39.569,83 13.69,84 67.463,85 18.869,86 0.617,87 1.753,88 40.234,89 13.63,90 73.18,91 19.138,92 0.553,93 1.626,94 36.757,95 12.366,96 61.477,97 17.111,98 0.467,99 1.525,100 34.285,101 11.908,102 56.275,103 16.291,104 25,105 54,106 0.231,107 0.544,108 0.771,109 0.885,110 0.902,111 0.902,112 3.667,113 0.966,114 -4.2,115 -4.14,116 -3.92,121 41.1,122 1,123 5,126 1,127 4,144 9,145 3,146 3,147 1,149 1,159 1,161 1,176 12,179 2,180 14,183 2,185 1,187 12,192 10,197 1,200 7,205 4,206 14,211 3,214 8,218 1,219 6,224 3,227 6,231 2,232 9,237 2,239 6,243 1,244 7,247 1,251 5,255 1,256 7,264 8,268 1,269 3,274 1,277 11,281 3192,282 25.99,283 25.99,284 25.99,285 25.99,286 25.99,287 23.608,288 30.132,289 16.061,290 26.56,291 20.281,292 20.281,293 20.281,294 20.281,295 20.281,296 16.559,297 39.982,298 7.701,299 21.179,300 4.7,301 2.687,302 1.223,303 0.486,304 0.377,305 0.377,306 4.365,312 1,313 1560,314 4.69,318 466.058,322 354.383,325 3.086,326 38.424,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 82.5,338 727,339 4.553,340 3.692,341 6.774,342 4.198,343 3.215,344 4.198,345 2.186,346 11.061,347 3.169,348 4.105,349 3.665,350 6.011,351 3.724,352 2.762,353 3.688,354 0.916,355 8.529,356 2.661,357 4.048,358 3,359 5.683,360 3.606,361 2.643,362 3.676,363 0.86,364 8.002,365 2.544,366 3.684,367 2.98,368 5.408,369 3.393,370 2.462,371 2.964,372 0.86,373 6.915,374 2.276,375 3.617,376 2.82,377 5.298,378 3.222,379 2.272,380 2.895,381 0.366,382 6.849,383 2.145,384 3.387,385 2.634,386 5.125,387 3.138,388 2.186,389 2.527,390 0.172,391 6.041,392 2.065,393 3.307,394 2.491,395 4.886,396 2.94,397 2.009,398 2.503,400 5.694,401 1.847,402 3.086,403 2.167,404 4.611,405 2.827,406 1.856,407 2.171,409 4.93,410 1.799,411 2.904,412 1.875,413 4.125,414 2.725,415 1.733,416 2.08,418 3.494,419 1.707,420 2.797,421 1.708,422 3.773,423 2.422,424 1.453,425 1.811,427 3.384,428 1.404,429 2.715,430 1.571,431 3.719,432 2.321,433 1.364,434 1.799,436 3.094,437 1.298,438 2.662,439 1.461,440 3.58,441 2.229,442 1.256,443 1.729,445 2.929,446 1.218,447 2.478,448 1.37,449 3.494,450 2.22,451 1.241,452 1.451,454 2.612,455 1.208,456 2.364,457 1.298,458 3.466,459 2.157,460 1.163,461 1.26,463 2.282,464 1.152,465 2.278,466 1.274,467 3.237,468 1.861,469 0.853,470 1.247,472 2.039,473 0.851,474 17.867,475 0.47,476 0.729,477 0.019,478 46.75,479 1.23,480 22.5,481 0.592,482 24.25,483 0.638,484 34.847,485 0.917,486 42.133,487 0.577,488 37.574,489 0.989,490 9.049,491 0.238,492 9.481,493 0.249,494 0.093,496 0.274,501 0.777,502 1.386,503 0.821,504 1.217,505 0.583,506 1.053,507 0.827,508 1.046,509 0.911,510 1.027,511 0.536,512 0.98,513 1.084,514 1.089,515 0.911,516 1.041,517 0.809,518 0.961,519 1.08,520 0.913,521 0.905,522 0.88,523 1.038,524 0.865,525 1.173,526 1.047,527 1.05,528 1.024,529 1.292,530 1.019,531 1.044,532 0.994,533 0.988,534 0.97,535 0.94,536 0.972,537 1.217,538 0.941,539 1.111,540 0.983,541 1.108,542 1.02,543 1.231,544 1.054,545 1.11,546 1.058,547 1.123,548 1.068,549 6.5,550 0.202,551 2.889,552 2.5,553 1.933,554 0.868,555 0.686,556 0.377,557 0.3,558 0.184,559 28379,560 70288,561 2.069,562 47.9,563 9,564 20,566 1,567 1,569 2,570 2,572 1.779,573 1.966,574 4.166,575 -0.4,582 108.761,583 1.49,584 3.503,585 4.967,586 5.703,587 5.813,588 5.813,589 3.668,590 4.985,591 5.217,592 4.375,593 3075.36,594 9.143,595 58020,600 451.857,601 1.267,602 5.192,603 0.159,604 0.006,605 0.053,606 0.045,607 0.037,608 0.019,609 0.016,610 0.01,611 0.008,612 0.005,613 0.358,614 0.33,615 0.75,616 1.585,617 220.041,618 -0.015,619 -0.179,620 0.06,621 -0.094,622 -0.012,623 -0.019,624 0.136,625 0.071,626 0.041,627 -0.003,628 0.145,629 0.005,630 -0.054,631 -0.085,632 0.071,633 -0.037,634 0.025,635 0.029,636 0.093,637 0.055,638 0.115,639 0.081,640 0.112,641 0.099,642 -0.094,643 -0.056,644 -0.055,645 -0.039,646 -0.108,647 -0.041,648 0.006,649 -0.034,650 0.015,651 0.001,652 -0.009,653 0.007,654 -0.108,655 0.045,656 -0.105,657 -0.017,658 -0.126,659 -0.054,660 -0.11,661 -0.078,662 -0.11,663 -0.072,664 -0.1,665 -0.091,666 2.082,667 5.658,668 0.526,669 57.579,670 1.001,671 1.126,672 2.973,673 8.84,674 0.65,675 3.738,676 4.007,677 4.234,678 4.489,679 4.71,680 4.787,681 4.89,682 5.011,683 5.056,684 5.011,685 10.759,686 0.617,687 517.68,688 3.738,689 5.252,690 6.075,691 6.93,692 7.774,693 8.642,694 9.498,695 10.374,696 11.239,697 12.121,698 4.1,701 1,705 1,708 1,715 10,716 1,720 7,722 18,727 1,737 1,739 2,741 73,743 20,744 2,745 41,747 76,748 30,749 17,750 5,751 7,752 1,756 4,757 7,763 1,770 5,772 19,773 11,777 2,782 2,786 2,793 35,794 8,795 1,796 8,802 3,808 0.5,809 5,822 1,829 4,833 2,855 1,859 2,864 2,868 38,876 9,877 1,878 3,881 1,893 6.8,896 2,898 3,901 19.333,902 13.567,903 8.611,904 4.76,907 3.557,908 1.427,909 0.956,910 10.276,911 11.896,912 3.97,913 4.483,914 4.992,915 5.539,916 6.056,917 6.269,918 6.599,919 6.955,920 7.224,921 7.404,922 0.923,923 56,924 14.109,926 5.863,927 0.026,929 7.724,931 27.082,933 21.648,936 2.224,937 84.5,941 400.217,942 177.135,943 37.921,945 83.29,948 177.135,949 483.507,950 37.921,951 17.222,952 41.593,953 85.286,954 83.98,955 70.458,956 11.577,957 388.446,959 400.217,960 215.056,961 83.29,964 353.133,965 130.374,968 62.59,969 135.68,970 16.786,972 400.217,973 121.21,974 177.135,977 400.217,978 65.58,979 114.68,980 18.011,981 100.075,982 400.217,983 121.21,984 177.135,986 0.561,987 0.316,988 0.172,989 0.093,990 22,991 10,992 0.184,993 14,994 2,995 1.2,996 5.093,997 335.889,998 0.2,999 20,1000 197.421,1005 27.779,1006 14.057,1007 8.124,1009 121.21,1010 17.895,1011 4.15,1015 4.003,1017 18.011,1018 698.563,1019 52,1024 24.692,1028 -0.512,1031 73.08,1032 82.185,1034 0.241,1035 0.566,1036 0.802,1037 0.921,1038 0.939,1039 0.939,1040 5.185,1041 1.856,1042 6.023,1043 5.694,1044 4.691,1045 5.17,1046 2.639,1047 6.777,1048 4.61,1049 6.345,1050 1.733,1051 7.538,1052 4.93,1053 4.111,1054 4.832,1055 1.847,1056 7.551,1057 3.998,1058 7.619,1059 1.453,1060 9.156,1061 3.494,1062 6.217,1063 7.257,1064 3.582,1065 10.676,1066 6.063,1067 8.928,1068 1.364,1069 10.838,1070 3.384,1071 6.479,1072 7.753,1073 3.603,1074 12.336,1075 6.312,1076 10.273,1077 1.256,1078 12.563,1079 3.094,1080 8.019,1081 9.65,1082 4.922,1083 14.979,1084 7.818,1085 11.643,1086 1.241,1087 14.321,1088 2.929,1089 8.712,1090 10.561,1091 5.291,1092 17.037,1093 8.512,1094 13.035,1095 1.163,1096 16.102,1097 2.612,1098 10.008,1099 12.22,1100 6.39,1101 19.518,1102 9.783,1103 3.215,1104 0.853,1105 17.904,1106 2.282,1107 10.928,1108 13.351,1109 6.93,1110 21.761,1111 10.706,1112 2.762,1113 11.061,1114 19.721,1115 2.039,1116 12.121,1117 14.89,1118 7.902,1119 24.186,1120 11.883,1121 2.643,1122 8.529,1123 21.552,1124 4.198,1125 13.158,1126 16.144,1127 8.539,1128 26.514,1129 12.919,1130 2.462,1131 8.002,1132 23.395,1133 3.688,1134 14.314,1135 17.622,1136 9.436,1137 28.922,1138 14.064,1139 2.272,1140 6.915,1141 25.247,1142 3.676,1143 15.409,1144 18.946,1145 10.13,1146 31.289,1147 15.156,1148 2.186,1149 6.849,1150 27.108,1151 2.964,1152 16.556,1153 20.393,1154 10.981,1155 33.692,1156 16.294,1157 2.009,1158 6.041,1159 28.977,1160 2.895,1161 17.681,1162 21.757,1163 11.71,1164 36.077,1165 17.413,1166 27103,1167 43053,1168 27.622,1169 47.472,1170 59.356,1171 61.753,1172 60.841,1173 58.882,1174 58.825,1175 73.991,1176 10.723,1177 159.484,1178 56.468,1179 5.493,1180 5.692,1181 6.727,1182 5.302,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.169,1188 17.714,1189 1.448,1190 1.506,1191 1.484,1192 1.436,1193 1.435,1194 1.805,1195 0.262,1196 3.89,1197 1.377,1198 4.04,1199 4.052,1200 4.008,1201 3.94,1202 7.435,1203 3.954,1204 3.939,1205 3.967,1206 3.878,1207 3.855,1208 7.427,1209 3.856,1210 3.764,1211 3.827,1212 3.703,1213 3.663,1214 5.008,1215 3.668,1216 3.758,1217 3.796,1218 3.606,1219 3.622,1220 4.815,1221 3.604,1222 3.658,1223 3.72,1224 3.529,1225 3.485,1226 4.769,1227 3.484,1228 3.531,1229 3.6,1230 3.404,1231 3.314,1232 4.399,1233 3.316,1234 3.363,1235 3.428,1236 3.235,1237 3.151,1238 4.305,1239 3.159,1240 3.268,1241 3.319,1242 3.121,1243 3.024,1244 4.23,1245 3.048,1246 0.111,1247 0.09,1248 0.165,1249 0.102,1250 0.078,1251 4.553,1252 0.102,1253 3.692,1254 0.053,1255 6.774,1256 0.27,1257 4.198,1258 0.077,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.169,1264 1.963,1265 1.954,1266 2.037,1267 2.079,1268 1.353,1269 2.061,1270 1.91,1271 1.885,1272 2.026,1273 2.024,1274 1.254,1275 2.027,1276 1.764,1277 1.707,1278 2.02,1279 1.94,1280 1.136,1281 1.97,1282 1.737,1283 1.698,1284 1.894,1285 1.883,1286 1.103,1287 1.887,1288 1.636,1289 1.57,1290 1.829,1291 1.813,1292 1.035,1293 1.821,1294 1.499,1295 1.423,1296 1.795,1297 1.74,1298 0.897,1299 1.757,1300 1.328,1301 1.258,1302 1.632,1303 1.578,1304 0.78,1305 1.598,1306 1.178,1307 1.128,1308 1.476,1309 1.482,1310 0.639,1311 1.478,1312 4.419,1314 5.7,1316 7.175,1318 8.753,1320 10.393,1322 4.202,1328 7.921,1329 2.808,1330 17.153,1333 2.188,1340 45.067,1341 108.761,1342 255.705,1343 362.599,1344 416.347,1345 424.347,1346 424.347,1347 81.872,1348 8.339,1349 93.9,1350 93.9,1351 24,1352 12.66,1353 4.392,1354 3.585,1355 68.353,1356 250,1357 282,1358 0.129,1359 277.13,1360 493.33,1361 667.957,1362 66117,1364 26.744,1365 0.704,1366 0.581,1367 26.744,1368 22.073,1369 18.529,1370 0.452,1371 0.322,1372 13.019,1373 17.773,1374 12.71,1375 10.632,1376 18.529,1377 13.208,1378 15.974,1379 0.296,1380 0.174,1381 15.974,1382 9.409,1383 12.796,1384 0.188,1385 0.092,1386 12.796,1387 6.234,1388 10.764,1389 0.122,1390 0.048,1391 10.764,1392 4.267,1393 8.479,1394 0.077,1395 0.025,1396 8.479,1397 2.746,1398 0.216,1399 116.476,1400 0.19,1401 35.95,1402 0.318,1403 190,1404 586.301,1405 211.908,1406 552.12,1407 749.87,1408 518,1409 217,1410 548.188,1411 238.276,1412 548.426,1413 802.39,1414 515,1415 7.377}
{0 CHEMBL1084091,1 1.488,2 16.188,3 4.249,4 18.051,5 123.903,6 7.074,7 0.353,8 4.202,9 4.314,10 3.714,11 3.69,12 5.285,13 3.672,14 4.747,15 4.925,16 4.017,17 4.038,18 5.83,19 3.995,20 4.984,21 5.194,22 4.043,23 4.155,24 5.976,25 4.084,26 5.029,27 5.267,28 3.986,29 4.105,30 6.062,31 4.016,32 4.939,33 5.166,34 3.858,35 4.047,36 5.928,37 3.949,38 4.926,39 5.166,40 3.804,41 3.992,42 5.894,43 3.887,44 4.838,45 5.059,46 3.705,47 3.959,48 5.79,49 3.851,50 4.806,51 5.036,52 3.698,53 3.969,54 5.71,55 3.844,56 0.027,57 0.835,58 13.488,59 5.956,60 7.379,61 7.72,62 0.424,63 1.306,64 25.687,65 9.319,66 39.11,67 12.635,68 0.394,69 1.536,70 33.739,71 11.909,72 46.761,73 16.172,74 0.715,75 1.547,76 36.564,77 11.897,78 73.532,79 16.76,80 0.479,81 1.44,82 32.823,83 11.063,84 58.795,85 15.36,86 0.544,87 1.376,88 32.958,89 10.992,90 63.484,91 15.34,92 0.56,93 1.301,94 29.878,95 10.035,96 57.995,97 13.682,98 0.342,99 1.296,100 28.16,101 10.356,102 39.488,103 14.488,104 23,105 44,106 0.24,107 0.571,108 0.809,109 0.895,110 0.901,111 0.901,112 3.501,113 0.964,114 -3.69,115 -3.65,116 -3.48,121 40.3,122 1,123 3,126 1,127 4,137 1,139 1,144 7,145 2,146 3,159 1,161 1,176 8,179 1,180 12,183 2,185 1,187 9,192 7,197 1,200 4,205 3,206 10,211 3,214 5,218 1,219 5,224 2,227 3,231 1,232 8,237 1,239 4,243 1,244 4,247 1,251 5,255 1,256 3,264 8,268 1,269 3,274 1,277 8,281 2018,282 21.714,283 21.714,284 21.714,285 21.714,286 21.714,287 19.838,288 29.054,289 13.447,290 22.236,291 16.803,292 16.803,293 16.803,294 16.803,295 16.803,296 13.814,297 37.656,298 6.421,299 17.59,300 4.466,301 2.421,302 0.946,303 0.411,304 0.379,305 0.379,306 4.187,311 1,312 1,313 1091,314 4.359,318 329.822,322 173.409,325 2.688,326 32.355,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 70,338 518,339 4.4,340 3.665,341 6.47,342 4.024,343 3.037,344 4.038,345 2.186,346 10.029,347 3.001,348 4.105,349 3.561,350 5.683,351 3.724,352 2.762,353 3.688,354 0.916,355 8.002,356 2.661,357 3.75,358 2.99,359 5.382,360 3.398,361 2.465,362 3.115,363 0.86,364 6.998,365 2.301,366 3.683,367 2.964,368 5.298,369 3.357,370 2.4,371 2.895,372 0.86,373 6.85,374 2.271,375 3.387,376 2.653,377 4.906,378 3.139,379 2.187,380 2.526,381 0.366,382 5.695,383 2.066,384 3.217,385 2.613,386 4.884,387 2.839,388 1.879,389 2.385,390 0.172,391 5.369,392 1.786,393 3.084,394 2.169,395 4.611,396 2.785,397 1.825,398 2.17,400 4.928,401 1.738,402 3,403 1.883,404 4.106,405 2.55,406 1.559,407 2.093,409 3.69,410 1.54,411 2.671,412 1.784,413 3.59,414 2.484,415 1.535,416 1.739,418 3.017,419 1.444,420 2.611,421 1.591,422 3.554,423 2.302,424 1.344,425 1.605,427 2.906,428 1.281,429 2.512,430 1.308,431 3.475,432 2.168,433 1.178,434 1.447,436 2.589,437 1.163,438 2.389,439 1.274,440 3.352,441 1.909,442 0.931,443 1.304,445 2.117,446 0.899,447 1.761,448 1.049,449 2.988,450 1.656,451 0.69,452 0.717,454 1.17,455 0.661,456 1.549,457 0.768,458 2.868,459 1.347,460 0.429,461 0.461,463 0.992,464 0.39,465 1.327,466 0.667,467 2.576,468 0.833,469 -0.121,470 -0.14,472 -0.268,473 -0.112,474 14.967,475 0.468,476 0.626,477 0.02,478 38.25,479 1.195,480 18,481 0.563,482 20.25,483 0.633,484 27.566,485 0.861,486 36.033,487 0.581,488 29.863,489 0.933,490 7.685,491 0.24,492 7.861,493 0.246,494 0.111,496 0.261,501 0.784,502 1.411,503 0.826,504 1.252,505 0.582,506 1.075,507 0.887,508 1.033,509 0.928,510 1.018,511 0.54,512 0.974,513 1.13,514 1.082,515 0.983,516 1.047,517 0.865,518 0.996,519 0.984,520 0.947,521 0.929,522 0.916,523 0.963,524 0.91,525 1.12,526 1.051,527 1.076,528 1.044,529 1.196,530 1.049,531 1.075,532 1.005,533 0.987,534 0.971,535 0.877,536 0.968,537 1.279,538 0.935,539 1.214,540 0.976,541 1.194,542 1.069,543 0.819,544 1.138,545 1.05,546 1.141,547 0.761,548 1.143,549 6,550 0.165,551 2.444,552 2,553 1.369,554 0.694,555 0.485,556 0.299,557 0.267,558 0.178,559 16902,560 45181,561 2.03,562 48.4,563 5,564 19,565 1,567 1,569 2,570 2,572 1.737,573 1.92,574 3.956,575 -0.372,577 1,582 92.247,583 1.488,584 3.533,585 5.008,586 5.543,587 5.575,588 5.575,589 3.436,590 4.563,591 4.971,592 4.157,593 2061.9,594 8.651,595 33781.9,597 1,600 369.16,601 1.299,602 4.94,603 0.176,604 0.006,605 0.056,606 0.045,607 0.034,608 0.02,609 0.015,610 0.01,611 0.009,612 0.006,613 0.378,614 0.33,615 0.88,616 1.469,617 175.286,618 -0.021,619 -0.19,620 0.055,621 -0.113,622 -0.019,623 -0.029,624 0.086,625 0.09,626 0.028,627 0.005,628 0.138,629 0.011,630 -0.1,631 -0.072,632 -0.003,633 -0.044,634 -0.023,635 -0.01,636 0.08,637 0.026,638 0.076,639 0.041,640 0.061,641 0.057,642 -0.093,643 -0.056,644 -0.086,645 -0.07,646 -0.124,647 -0.076,648 -0.026,649 -0.057,650 0.014,651 -0.004,652 0.01,653 0.009,654 -0.167,655 0.065,656 -0.216,657 -0.004,658 -0.183,659 -0.105,660 -0.025,661 -0.137,662 -0.102,663 -0.13,664 -0.049,665 -0.134,666 2.089,667 4.822,668 0.5,669 41.387,670 1.003,671 1.127,672 2.456,673 6.031,674 0.644,675 3.555,676 3.807,677 3.989,678 4.205,679 4.369,680 4.382,681 4.394,682 4.454,683 4.419,684 4.344,685 9.333,686 0.613,687 438.57,688 3.555,689 5.056,690 5.861,691 6.701,692 7.522,693 8.371,694 9.201,695 10.054,696 10.889,697 11.745,698 3.2,701 1,705 1,715 7,720 5,722 12,727 1,737 1,739 2,741 62,743 15,744 2,745 34,747 64,748 25,749 12,750 5,751 7,752 3,756 3,757 4,763 1,770 3,772 16,773 9,777 3,782 2,784 2,786 2,790 1,793 30,794 7,795 1,796 7,802 2,808 0.667,809 5,829 3,833 1,849 1,855 1,859 2,864 2,868 32,876 7,877 1,878 3,881 1,893 8.1,896 2,898 3,901 16.667,902 11.533,903 7.306,904 3.921,907 2.664,908 1.356,909 0.94,910 9.291,911 10.157,912 3.784,913 4.263,914 4.723,915 5.228,916 5.695,917 5.848,918 6.022,919 6.233,920 6.243,921 6.159,922 0.909,923 44,924 11.847,926 4.839,927 0.026,929 7.786,931 22.615,933 17.723,936 2.286,937 73.167,940 1,941 341.362,942 157.076,943 21.135,945 83.29,948 157.076,949 424.651,950 21.135,951 17.222,952 48.058,953 75.81,954 55.423,955 58.225,956 18.534,957 329.591,959 341.362,960 178.211,961 83.29,964 294.278,965 130.374,968 48.473,969 120.262,970 9.476,972 341.362,973 104.425,974 157.076,977 341.362,978 52.511,979 107.69,980 18.011,981 83.29,982 341.362,983 104.425,984 157.076,986 0.559,987 0.309,988 0.165,989 0.088,990 17,991 8,992 0.188,993 12,994 1,995 1.125,996 4.548,997 257.666,998 0.125,999 16,1000 160,1005 23.989,1006 12.394,1007 7.768,1009 104.425,1010 12.813,1015 3.349,1017 18.011,1018 602.863,1019 43,1024 23.59,1026 2.797,1028 -0.486,1031 62.211,1032 69.856,1034 0.25,1035 0.593,1036 0.841,1037 0.931,1038 0.936,1039 0.936,1040 4.99,1041 1.559,1042 5.802,1043 4.928,1044 4.489,1045 4.949,1046 2.639,1047 6.518,1048 4.405,1049 6.143,1050 1.535,1051 7.296,1052 3.69,1053 3.892,1054 4.59,1055 1.847,1056 7.209,1057 3.788,1058 7.407,1059 1.344,1060 8.888,1061 3.017,1062 5.984,1063 6.991,1064 3.582,1065 10.286,1066 5.828,1067 8.702,1068 1.178,1069 10.54,1070 2.906,1071 6.196,1072 7.446,1073 3.603,1074 11.838,1075 6.035,1076 10.03,1077 0.931,1078 12.23,1079 2.589,1080 7.734,1081 9.331,1082 4.922,1083 14.415,1084 7.529,1085 11.382,1086 0.69,1087 13.95,1088 2.117,1089 8.363,1090 10.198,1091 5.291,1092 16.366,1093 8.162,1094 12.752,1095 0.429,1096 15.692,1097 1.17,1098 9.648,1099 11.845,1100 6.39,1101 18.761,1102 9.415,1103 3.037,1104 -0.121,1105 17.453,1106 0.992,1107 10.498,1108 12.934,1109 6.93,1110 20.901,1111 10.27,1112 2.762,1113 10.029,1114 19.228,1115 -0.268,1116 11.666,1117 14.46,1118 7.902,1119 23.23,1120 11.417,1121 2.465,1122 8.002,1123 21.016,1124 4.038,1125 12.633,1126 15.673,1127 8.539,1128 25.457,1129 12.387,1130 2.4,1131 6.998,1132 22.816,1133 3.688,1134 13.751,1135 17.134,1136 9.436,1137 27.765,1138 13.49,1139 2.187,1140 6.85,1141 24.624,1142 3.115,1143 14.779,1144 18.418,1145 10.13,1146 30.032,1147 14.517,1148 1.879,1149 5.695,1150 26.441,1151 2.895,1152 15.877,1153 19.843,1154 10.981,1155 32.334,1156 15.606,1157 1.825,1158 5.369,1159 28.266,1160 2.526,1161 16.937,1162 21.169,1163 11.71,1164 34.62,1165 16.662,1166 16445,1167 27111,1168 22.652,1169 39.943,1170 48.953,1171 51.05,1172 49.861,1173 48.433,1174 48.446,1175 60.366,1176 10.723,1177 128.702,1178 46.401,1179 5.335,1180 5.665,1181 6.381,1182 5.111,1183 5.037,1184 7.038,1185 3.889,1186 16.774,1187 5.001,1188 15.839,1189 1.44,1190 1.501,1191 1.467,1192 1.425,1193 1.425,1194 1.775,1195 0.315,1196 3.785,1197 1.365,1198 3.995,1199 4.01,1200 3.952,1201 3.899,1202 7.435,1203 3.909,1204 3.933,1205 3.955,1206 3.875,1207 3.851,1208 7.428,1209 3.853,1210 3.711,1211 3.781,1212 3.577,1213 3.543,1214 4.925,1215 3.531,1216 3.675,1217 3.736,1218 3.539,1219 3.495,1220 4.813,1221 3.498,1222 3.499,1223 3.527,1224 3.418,1225 3.349,1226 4.602,1227 3.359,1228 3.412,1229 3.463,1230 3.297,1231 3.151,1232 4.316,1233 3.177,1234 3.306,1235 3.382,1236 3.136,1237 3.093,1238 4.245,1239 3.098,1240 3.057,1241 3.117,1242 2.9,1243 2.83,1244 4.148,1245 2.83,1246 0.129,1247 0.108,1248 0.19,1249 0.118,1250 0.089,1251 4.4,1252 0.119,1253 3.665,1254 0.064,1255 6.47,1256 0.295,1257 4.024,1258 0.088,1259 3.037,1260 4.038,1261 2.186,1262 10.029,1263 3.001,1264 1.926,1265 1.917,1266 2.034,1267 2.042,1268 1.256,1269 2.035,1270 1.91,1271 1.885,1272 2.002,1273 2.019,1274 1.253,1275 2.016,1276 1.7,1277 1.63,1278 1.971,1279 1.904,1280 1.125,1281 1.926,1282 1.647,1283 1.584,1284 1.881,1285 1.848,1286 1.084,1287 1.862,1288 1.445,1289 1.417,1290 1.645,1291 1.65,1292 0.783,1293 1.643,1294 1.326,1295 1.265,1296 1.607,1297 1.609,1298 0.753,1299 1.604,1300 1.29,1301 1.21,1302 1.578,1303 1.52,1304 0.595,1305 1.546,1306 1.015,1307 0.954,1308 1.355,1309 1.297,1310 0.498,1311 1.299,1312 4.234,1314 5.501,1316 6.954,1318 8.5,1320 10.101,1322 4.11,1328 5.528,1329 2.746,1330 16.536,1333 2.184,1340 37.992,1341 92.247,1342 219.031,1343 310.489,1344 343.65,1345 345.65,1346 345.65,1347 68.33,1348 7.493,1349 81.01,1350 81.01,1351 18,1352 12.303,1353 4,1354 3.322,1355 61.814,1356 181,1357 190,1358 0.16,1359 235.622,1360 424.37,1361 566.678,1362 22476,1364 22.761,1365 0.711,1366 0.582,1367 22.761,1368 18.634,1369 15.546,1370 0.457,1371 0.321,1372 10.749,1373 14.837,1374 10.477,1375 8.777,1376 15.546,1377 10.924,1378 13.372,1379 0.304,1380 0.175,1381 13.372,1382 7.7,1383 10.338,1384 0.195,1385 0.093,1386 10.338,1387 4.947,1388 8.517,1389 0.129,1390 0.05,1391 8.517,1392 3.285,1393 6.446,1394 0.083,1395 0.026,1396 6.446,1397 2.038,1398 0.267,1399 98.215,1400 0.21,1401 31.193,1402 0.4,1403 156,1404 508.656,1405 175.412,1406 474.176,1407 634.99,1408 444,1409 175,1410 454.814,1411 193.116,1412 453.913,1413 657.49,1414 425,1415 6.602}
{0 CHEMBL1084092,1 1.204,2 13.038,3 5.896,4 34.762,5 112.297,6 5.797,7 0.393,8 4.147,9 4.301,10 3.491,11 3.689,12 4.992,13 3.606,14 4.747,15 4.968,16 3.766,17 4.102,18 5.485,19 3.966,20 5.076,21 5.37,22 3.839,23 4.233,24 5.727,25 4.062,26 5.041,27 5.331,28 3.779,29 4.192,30 5.712,31 4.02,32 5.013,33 5.298,34 3.696,35 4.187,36 5.659,37 4.001,38 5.033,39 5.326,40 3.568,41 4.177,42 5.636,43 3.958,44 5.024,45 5.342,46 3.395,47 4.084,48 5.575,49 3.836,50 4.891,51 5.221,52 3.237,53 3.915,54 5.422,55 3.664,56 0.084,57 0.866,58 15.34,59 6.153,60 9.243,61 9.136,62 0.149,63 1.411,64 26.725,65 10.555,66 15.956,67 15.769,68 0.227,69 1.742,70 35.421,71 13.132,72 24.44,73 20.101,74 0.273,75 1.697,76 34.559,77 12.359,78 26.151,79 19.094,80 0.228,81 1.645,82 33.442,83 12.503,84 22.413,85 19.031,86 0.2,87 1.622,88 33.473,89 13.332,90 21.148,91 19.815,92 0.188,93 1.52,94 32.351,95 12.957,96 20.593,97 19.226,98 0.171,99 1.303,100 28.09,101 11.01,102 18.011,103 16.468,104 13,105 35,106 0.197,107 0.455,108 0.612,109 0.755,110 0.827,111 0.865,112 3.303,113 1.151,114 -4.97,115 -4.87,116 -4.57,121 37.7,123 12,127 2,144 4,145 2,146 1,148 2,165 1,166 1,167 1,176 15,180 4,185 4,187 15,189 1,192 4,197 4,200 11,203 1,206 2,209 1,211 6,214 12,216 1,224 4,227 15,229 1,232 1,237 2,239 16,241 1,244 1,249 2,251 13,253 1,256 1,261 2,264 10,266 1,269 1,274 2,277 10,279 1,281 1220,282 18.355,283 18.355,284 18.355,285 18.355,286 18.355,287 17.068,288 13.363,289 11.858,290 18.485,291 13.885,292 13.885,293 13.885,294 13.885,295 13.885,296 11.861,297 12.408,298 5.692,299 14.108,300 4.727,301 3.157,302 2.196,303 1.328,304 0.885,305 0.656,306 3.997,312 1,313 728,314 3.674,318 177.206,322 203.565,325 1.959,326 10.712,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 53.5,338 339,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.4,346 11.348,347 3.162,348 3.914,349 2.669,350 5.982,351 3.524,352 2.532,353 3.437,355 8.37,356 2.512,357 3.522,358 2.356,359 5.381,360 3.136,361 2.182,362 2.893,364 6.711,365 2.08,366 2.946,367 1.947,368 4.116,369 2.926,370 1.929,371 2.142,373 3.872,374 1.923,375 2.929,376 1.812,377 3.988,378 2.727,379 1.737,380 1.937,382 3.54,383 1.72,384 2.756,385 1.638,386 3.89,387 2.518,388 1.532,389 1.766,391 3.329,392 1.509,393 2.603,394 1.496,395 3.706,396 2.423,397 1.438,398 1.63,400 3.265,401 1.414,402 2.492,403 1.432,404 3.594,405 2.345,406 1.347,407 1.491,409 2.902,410 1.343,411 2.444,412 1.35,413 3.562,414 2.242,415 1.247,416 1.443,418 2.876,419 1.24,420 2.142,421 1.224,422 3.332,423 2.082,424 1.11,425 1.135,427 2.292,428 1.077,429 1.895,430 0.905,431 3,432 1.782,433 0.8,434 0.855,436 1.651,437 0.784,438 1.598,439 0.596,440 2.84,441 1.47,442 0.495,443 0.531,445 0.957,446 0.481,447 1.314,448 0.238,449 2.554,450 1.112,451 0.147,452 0.161,454 0.296,455 0.142,456 1.007,457 -0.011,458 2.404,459 0.829,460 -0.137,461 -0.153,463 -0.289,464 -0.133,465 0.915,466 -0.364,467 2.134,468 0.538,469 -0.445,470 -0.512,472 -0.947,473 -0.436,474 12.7,475 0.488,476 0.274,477 0.011,478 25.75,479 0.99,480 10.5,481 0.404,482 15.25,483 0.587,484 27.952,485 1.075,486 29.9,487 0.49,488 14.2,489 0.546,490 3.968,491 0.153,492 8.93,493 0.343,494 0.031,496 0.197,501 1.16,502 1.283,503 1.107,504 1.177,505 1.147,506 1.145,507 1,508 1.302,509 1.136,510 1.237,511 0.862,512 1.203,513 0.968,514 1.015,515 0.875,516 0.921,517 0.772,518 0.897,519 1.258,520 0.989,521 1,522 0.945,523 0.962,524 0.954,525 1.271,526 0.993,527 1.091,528 1.012,529 1.007,530 1.035,531 0.93,532 1.037,533 1.104,534 1.108,535 0.905,536 1.116,537 0.738,538 0.972,539 0.995,540 1.034,541 0.807,542 1.032,543 0.769,544 0.893,545 0.918,546 0.936,547 0.796,548 0.936,549 2,550 0.062,551 1.778,552 1.188,553 1.12,554 0.382,555 0.26,556 0.13,557 0.098,558 0.077,559 8884,560 14511,561 2.105,562 57.4,563 18,564 8,567 3,568 2,569 4,572 1.684,573 2.053,574 3.552,575 0.822,582 73.453,583 1.204,584 2.774,585 3.735,586 4.603,587 5.045,588 5.275,589 2.984,590 4.133,591 4.661,592 3.802,593 1235.75,594 8.049,595 16524.9,600 361.775,601 0.929,602 4.669,603 0.071,604 0.004,605 0.051,606 0.032,607 0.033,608 0.012,609 0.01,610 0.006,611 0.005,612 0.005,613 0.23,614 0.5,615 0.88,616 2.35,617 130.93,618 -0.039,619 0.033,620 0.038,621 0.05,622 -0.001,623 0.049,624 -0.02,625 -0.146,626 -0.073,627 -0.116,628 0.028,629 -0.101,630 0.076,631 -0.014,632 0.122,633 0.069,634 0.105,635 0.094,636 0.017,637 0.042,638 0.019,639 0.03,640 0.016,641 0.026,642 -0.143,643 0.04,644 -0.079,645 -0.012,646 -0.112,647 -0.036,648 -0.105,649 -0.049,650 -0.128,651 -0.096,652 -0.12,653 -0.111,654 -0.024,655 -0.051,656 -0.053,657 -0.058,658 -0.063,659 -0.057,660 0.001,661 0.006,662 0.016,663 0.014,664 -0.026,665 0.016,666 0.654,667 1.928,668 0.538,669 29.136,670 0.974,671 1.133,672 3.739,673 13.981,674 0.626,675 3.367,676 3.584,677 3.85,678 4.127,679 4.394,680 4.454,681 4.575,682 4.663,683 4.71,684 4.543,685 7.48,686 0.565,687 353.61,688 3.367,689 4.844,690 5.666,691 6.512,692 7.368,693 8.238,694 9.113,695 9.997,696 10.884,697 11.777,698 4.9,699 1,703 1,708 1,714 2,715 4,716 1,720 3,722 11,734 1,741 61,743 11,744 1,745 28,747 63,748 23,749 9,750 2,751 4,756 3,757 6,763 1,767 4,770 12,772 9,773 14,793 35,794 3,795 3,796 3,802 3,808 0.333,822 1,829 3,833 2,851 1,859 1,868 26,869 1,876 14,877 1,901 12.667,902 10.367,903 6.111,904 4.454,907 2.413,908 1.332,909 0.974,910 7.912,911 9.687,912 3.541,913 4.034,914 4.63,915 5.248,916 5.859,917 6.187,918 6.564,919 6.905,920 7.199,921 7.002,922 1,923 37,924 9.693,926 3.935,927 0.026,929 7.301,931 19.842,933 16.569,936 1.801,937 46.833,938 0.001,941 376.675,942 85.947,943 67.693,948 85.947,949 376.675,950 67.693,952 67.523,953 37.905,954 34.796,955 13.416,957 376.675,959 376.675,960 153.64,964 329.591,965 47.084,968 72.424,969 46.42,970 34.796,972 376.675,973 67.693,974 85.947,977 376.675,978 48.042,979 37.905,980 18.011,981 49.683,982 376.675,983 67.693,984 85.947,986 0.539,987 0.309,988 0.177,989 0.101,990 14,991 5,992 0.175,993 11,994 2,995 1.286,996 4.018,997 200.71,998 0.286,999 14,1000 122.211,1005 19.324,1006 10.645,1007 5.526,1008 2.446,1009 67.693,1010 8.609,1011 4.928,1015 4.178,1017 50.908,1018 530.316,1019 33.5,1031 59.443,1032 69.138,1034 0.203,1035 0.468,1036 0.63,1037 0.776,1038 0.851,1039 0.889,1040 4.725,1041 1.347,1042 5.572,1043 3.265,1044 4.263,1045 4.718,1046 0.278,1047 6.326,1048 4.229,1049 5.847,1050 1.247,1051 7.074,1052 2.902,1053 3.434,1054 4.407,1056 7.168,1057 3.374,1058 7.113,1059 1.11,1060 8.699,1061 2.876,1062 5.753,1063 6.902,1064 0.05,1065 10.372,1066 5.682,1067 8.433,1068 0.8,1069 10.409,1070 2.292,1071 5.943,1072 7.614,1074 12.195,1075 5.842,1076 9.806,1077 0.495,1078 12.176,1079 1.651,1080 7.587,1081 9.514,1082 0.008,1083 14.877,1084 7.477,1085 11.217,1086 0.147,1087 13.983,1088 0.957,1089 8.306,1090 10.675,1092 17.061,1093 8.167,1094 12.656,1095 -0.137,1096 15.816,1097 0.296,1098 9.656,1099 12.344,1100 0.001,1101 19.576,1102 9.505,1103 3.226,1104 -0.445,1105 17.668,1106 -0.289,1107 10.629,1108 13.704,1110 21.902,1111 10.451,1112 2.532,1113 11.348,1114 19.534,1115 -0.947,1116 11.861,1117 15.281,1119 24.361,1120 11.668,1121 2.182,1122 8.37,1123 21.409,1124 4.564,1125 12.946,1126 16.728,1128 26.744,1129 12.728,1130 1.929,1131 6.711,1132 23.292,1133 3.437,1134 14.135,1135 18.268,1137 29.184,1138 13.899,1139 1.737,1140 3.872,1141 25.181,1142 2.893,1143 15.268,1144 19.754,1146 31.592,1147 15.01,1148 1.532,1149 3.54,1150 27.075,1151 2.142,1152 16.442,1153 21.28,1155 34.024,1156 16.164,1157 1.438,1158 3.329,1159 28.973,1160 1.937,1161 17.596,1162 22.783,1164 36.444,1165 17.296,1166 8716,1167 11285,1168 19.356,1169 38.199,1170 39.281,1171 39.668,1172 40.55,1173 39.45,1174 39.444,1175 47.973,1176 0.8,1177 102.817,1178 38.772,1179 5.601,1180 5.361,1181 6.813,1182 5.247,1183 5.226,1184 7.564,1185 0.8,1186 18.879,1187 5.162,1188 7.4,1189 1.403,1190 1.417,1191 1.448,1192 1.409,1193 1.409,1194 1.713,1195 0.029,1196 3.672,1197 1.385,1198 4.113,1199 4.144,1200 4.073,1201 4.041,1202 5.009,1203 4.045,1204 3.809,1205 3.875,1206 3.646,1207 3.689,1208 4.97,1209 3.669,1210 3.732,1211 3.781,1212 3.615,1213 3.649,1214 4.413,1215 3.634,1216 3.664,1217 3.74,1218 3.493,1219 3.519,1220 4.266,1221 3.502,1222 3.48,1223 3.567,1224 3.304,1225 3.301,1226 4.138,1227 3.29,1228 3.296,1229 3.377,1230 3.137,1231 3.152,1232 3.983,1233 3.14,1234 3.173,1235 3.253,1236 3.028,1237 2.988,1238 3.91,1239 2.985,1240 3.109,1241 3.195,1242 2.909,1243 2.936,1244 3.7,1245 2.917,1246 0.166,1247 0.12,1248 0.244,1249 0.15,1250 0.115,1251 4.64,1252 0.163,1253 3.361,1254 0.014,1255 6.829,1256 0.405,1257 4.207,1258 0.113,1259 3.226,1260 4.564,1261 0.4,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.439,1269 2.163,1270 1.814,1271 1.752,1272 2.061,1273 1.972,1274 1.42,1275 2.006,1276 1.754,1277 1.709,1278 1.952,1279 1.873,1280 1.28,1281 1.904,1282 1.68,1283 1.611,1284 1.941,1285 1.865,1286 1.149,1287 1.895,1288 1.481,1289 1.401,1290 1.769,1291 1.706,1292 1.055,1293 1.732,1294 1.293,1295 1.227,1296 1.571,1297 1.517,1298 0.805,1299 1.542,1300 1.17,1301 1.088,1302 1.461,1303 1.375,1304 0.751,1305 1.402,1306 1.126,1307 1.045,1308 1.423,1309 1.344,1310 0.618,1311 1.381,1312 4.043,1314 5.283,1316 6.744,1318 8.333,1320 10.001,1326 5.538,1328 17.354,1329 3.781,1340 34.493,1341 73.453,1342 169.195,1343 227.827,1344 280.755,1345 307.775,1346 321.775,1347 40.653,1348 7.274,1349 50.94,1350 50.94,1351 18,1352 12.306,1353 3.585,1354 2.7,1355 44.827,1356 111,1357 156,1358 0.188,1359 214.96,1360 367.38,1361 516.262,1362 15172,1364 18.029,1365 0.693,1366 0.624,1367 18.029,1368 16.233,1369 12.898,1370 0.461,1371 0.384,1372 10.695,1373 12.722,1374 10.49,1375 8.774,1376 12.898,1377 10.743,1378 10.287,1379 0.294,1380 0.219,1381 10.287,1382 7.68,1383 8.532,1384 0.185,1385 0.122,1386 8.532,1387 5.602,1388 7.187,1389 0.118,1390 0.068,1391 7.187,1392 4.118,1393 6.068,1394 0.076,1395 0.038,1396 6.068,1397 3.049,1398 0.306,1399 78.605,1400 0.227,1401 25.916,1402 0.482,1403 126,1404 229.29,1405 130.468,1406 232.88,1407 333.57,1408 222,1409 144,1410 253.93,1411 148.829,1412 260.158,1413 382.93,1414 249,1415 6.833}
{0 CHEMBL1084093,1 1.186,2 14.643,3 6.808,4 46.353,5 121.499,6 5.697,7 0.367,8 4.234,9 4.39,10 3.56,11 3.774,12 5.061,13 3.686,14 4.841,15 5.064,16 3.826,17 4.187,18 5.559,19 4.043,20 5.175,21 5.473,22 3.896,23 4.319,24 5.804,25 4.139,26 5.143,27 5.438,28 3.84,29 4.282,30 5.79,31 4.1,32 5.118,33 5.408,34 3.762,35 4.277,36 5.741,37 4.083,38 5.136,39 5.433,40 3.642,41 4.268,42 5.72,43 4.043,44 5.128,45 5.447,46 3.483,47 4.184,48 5.664,49 3.931,50 5.008,51 5.339,52 3.339,53 4.032,54 5.525,55 3.777,56 0.091,57 0.943,58 16.923,59 6.852,60 9.862,61 10.142,62 0.162,63 1.537,64 29.363,65 11.707,66 17.031,67 17.434,68 0.243,69 1.898,70 38.708,71 14.563,72 25.71,73 22.172,74 0.287,75 1.852,76 37.864,77 13.803,78 27.335,79 21.185,80 0.242,81 1.801,82 36.747,83 13.957,84 23.519,85 21.131,86 0.213,87 1.777,88 36.705,89 14.764,90 22.175,91 21.873,92 0.201,93 1.674,94 35.467,95 14.356,96 21.461,97 21.224,98 0.184,99 1.457,100 31.204,101 12.409,102 18.879,103 18.467,104 15,105 37,106 0.191,107 0.429,108 0.577,109 0.713,110 0.786,111 0.836,112 3.373,113 1.174,114 -5.39,115 -5.27,116 -4.92,121 37.3,123 14,127 2,144 4,145 2,146 1,148 2,165 1,166 1,167 1,176 17,180 4,185 4,187 17,189 1,192 4,197 4,200 13,203 1,206 2,209 1,211 6,214 14,216 1,224 4,227 17,229 1,232 1,237 2,239 18,241 1,244 1,249 2,251 15,253 1,256 1,261 2,264 12,266 1,269 1,274 2,277 11,279 1,281 1468,282 19.769,283 19.769,284 19.769,285 19.769,286 19.769,287 18.482,288 13.363,289 12.858,290 19.899,291 14.885,292 14.885,293 14.885,294 14.885,295 14.885,296 12.861,297 12.408,298 6.192,299 15.108,300 4.88,301 3.4,302 2.478,303 1.634,304 1.179,305 0.866,306 4.068,312 1,313 878,314 3.937,318 201.317,322 231.285,325 2.291,326 10.81,329 0.75,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.82,337 57.5,338 410,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.4,346 11.348,347 3.162,348 3.914,349 2.669,350 5.982,351 3.524,352 2.532,353 3.437,355 8.37,356 2.512,357 3.522,358 2.356,359 5.381,360 3.136,361 2.182,362 2.893,364 6.711,365 2.08,366 2.955,367 1.959,368 4.116,369 2.946,370 1.947,371 2.142,373 3.904,374 1.944,375 2.936,376 1.851,377 3.991,378 2.796,379 1.802,380 1.953,382 3.641,383 1.791,384 2.814,385 1.699,386 3.916,387 2.573,388 1.588,389 1.82,391 3.347,392 1.563,393 2.636,394 1.555,395 3.768,396 2.507,397 1.516,398 1.662,400 3.329,401 1.501,402 2.553,403 1.449,404 3.61,405 2.345,406 1.347,407 1.559,409 3.088,410 1.343,411 2.487,412 1.367,413 3.594,414 2.276,415 1.296,416 1.486,418 2.902,419 1.268,420 2.309,421 1.35,422 3.467,423 2.242,424 1.247,425 1.307,427 2.62,428 1.24,429 2.047,430 1.105,431 3.197,432 1.976,433 1,434 1.033,436 2.076,437 0.974,438 1.826,439 0.824,440 2.923,441 1.717,442 0.732,443 0.782,445 1.486,446 0.72,447 1.541,448 0.537,449 2.797,450 1.421,451 0.445,452 0.474,454 0.862,455 0.433,456 1.29,457 0.216,458 2.492,459 1.102,460 0.133,461 0.146,463 0.269,464 0.129,465 1.007,466 -0.01,467 2.404,468 0.843,469 -0.126,470 -0.139,472 -0.264,473 -0.122,474 13.7,475 0.489,476 0.274,477 0.01,478 26.75,479 0.955,480 10.5,481 0.375,482 16.25,483 0.58,484 31.643,485 1.13,486 32.5,487 0.485,488 14.487,489 0.517,490 3.968,491 0.142,492 9.93,493 0.355,494 0.029,496 0.182,501 1.166,502 1.3,503 1.133,504 1.202,505 1.147,506 1.172,507 1.007,508 1.317,509 1.161,510 1.259,511 0.865,512 1.226,513 0.958,514 1.013,515 0.881,516 0.926,517 0.765,518 0.904,519 1.233,520 0.988,521 0.995,522 0.949,523 0.946,524 0.956,525 1.243,526 0.992,527 1.077,528 1.009,529 0.987,530 1.029,531 0.919,532 1.032,533 1.09,534 1.095,535 0.891,536 1.102,537 0.737,538 0.973,539 0.99,540 1.029,541 0.797,542 1.026,543 0.759,544 0.9,545 0.92,546 0.94,547 0.778,548 0.94,549 2,550 0.062,551 1.778,552 1.188,553 1.12,554 0.382,555 0.26,556 0.13,557 0.098,558 0.077,559 11514,560 18257,561 2.098,562 58.2,563 22,564 8,567 3,568 2,569 4,572 1.702,573 2.049,574 3.707,575 0.776,582 79.446,583 1.186,584 2.666,585 3.588,586 4.432,587 4.887,588 5.2,589 3.142,590 4.138,591 4.769,592 3.978,593 1503.8,594 8.251,595 21998.1,600 406.428,601 0.889,602 4.777,603 0.067,604 0.003,605 0.048,606 0.03,607 0.031,608 0.012,609 0.009,610 0.006,611 0.005,612 0.004,613 0.215,614 0.5,615 0.88,616 2.575,617 146.27,618 -0.031,619 0.03,620 0.036,621 0.046,622 0.012,623 0.045,624 -0.021,625 -0.155,626 -0.084,627 -0.128,628 0.032,629 -0.113,630 0.081,631 -0.012,632 0.116,633 0.065,634 0.112,635 0.088,636 0.027,637 0.038,638 0.024,639 0.029,640 0.028,641 0.027,642 -0.126,643 0.037,644 -0.065,645 -0.008,646 -0.095,647 -0.028,648 -0.094,649 -0.044,650 -0.112,651 -0.084,652 -0.107,653 -0.096,654 -0.022,655 -0.046,656 -0.048,657 -0.052,658 -0.056,659 -0.051,660 0.002,661 0.005,662 0.014,663 0.012,664 -0.021,665 0.013,666 0.647,667 1.94,668 0.5,669 34.378,670 0.973,671 1.134,672 4.158,673 17.288,674 0.623,675 3.434,676 3.638,677 3.892,678 4.159,679 4.419,680 4.477,681 4.595,682 4.682,683 4.727,684 4.564,685 8.41,686 0.56,687 381.67,688 3.434,689 4.905,690 5.72,691 6.558,692 7.408,693 8.271,694 9.141,695 10.02,696 10.903,697 11.792,698 4.5,699 1,703 1,708 1,714 2,715 4,716 1,720 3,722 11,734 1,741 67,743 11,744 1,745 30,747 69,748 25,749 9,750 2,751 4,756 3,757 6,763 1,767 4,770 14,772 9,773 16,793 39,794 3,795 3,796 3,802 3,808 0.333,822 1,829 3,833 2,851 1,859 1,868 28,869 1,876 16,877 1,901 13.667,902 11.367,903 6.611,904 4.954,907 2.405,908 1.326,909 0.967,910 9.262,911 9.791,912 3.597,913 4.069,914 4.649,915 5.258,916 5.865,917 6.191,918 6.567,919 6.907,920 7.2,921 7.004,922 1,923 39,924 10.449,926 4.22,927 0.026,929 7.28,931 21.475,933 17.903,936 1.78,937 49.833,941 423.76,942 91.016,943 67.693,948 91.016,949 423.76,950 67.693,952 72.592,953 37.905,954 34.796,955 13.416,957 423.76,959 423.76,960 158.709,964 376.675,965 47.084,968 77.493,969 46.42,970 34.796,972 423.76,973 67.693,974 91.016,977 423.76,978 53.111,979 37.905,980 18.011,981 49.683,982 423.76,983 67.693,984 91.016,986 0.536,987 0.305,988 0.174,989 0.098,990 14,991 5,992 0.188,993 13,994 2,995 1.286,996 4.261,997 217.155,998 0.286,999 14,1000 132.606,1005 21.272,1006 12.191,1007 6.555,1008 2.454,1009 67.693,1010 8.63,1011 4.94,1015 4.191,1017 50.908,1018 582.469,1019 35.5,1031 65.21,1032 75.969,1034 0.195,1035 0.44,1036 0.591,1037 0.731,1038 0.806,1039 0.857,1040 4.777,1041 1.347,1042 5.617,1043 3.329,1044 4.317,1045 4.754,1046 0.278,1047 6.354,1048 4.286,1049 5.886,1050 1.296,1051 7.107,1052 3.088,1053 3.434,1054 4.407,1056 7.168,1057 3.374,1058 7.143,1059 1.247,1060 8.722,1061 2.902,1062 5.79,1063 6.914,1064 0.05,1065 10.378,1066 5.722,1067 8.455,1068 1,1069 10.424,1070 2.62,1071 5.943,1072 7.614,1074 12.195,1075 5.842,1076 9.821,1077 0.732,1078 12.186,1079 2.076,1080 7.607,1081 9.517,1082 0.008,1083 14.878,1084 7.5,1085 11.227,1086 0.445,1087 13.988,1088 1.486,1089 8.306,1090 10.675,1092 17.061,1093 8.167,1094 12.663,1095 0.133,1096 15.82,1097 0.862,1098 9.665,1099 12.345,1100 0.001,1101 19.577,1102 9.516,1103 3.226,1104 -0.126,1105 17.671,1106 0.269,1107 10.629,1108 13.704,1110 21.902,1111 10.451,1112 2.532,1113 11.348,1114 19.535,1115 -0.264,1116 11.864,1117 15.281,1119 24.361,1120 11.672,1121 2.182,1122 8.37,1123 21.41,1124 4.564,1125 12.946,1126 16.728,1128 26.744,1129 12.728,1130 1.947,1131 6.711,1132 23.293,1133 3.437,1134 14.136,1135 18.268,1137 29.184,1138 13.901,1139 1.802,1140 3.904,1141 25.182,1142 2.893,1143 15.268,1144 19.754,1146 31.592,1147 15.01,1148 1.588,1149 3.641,1150 27.075,1151 2.142,1152 16.443,1153 21.28,1155 34.024,1156 16.165,1157 1.516,1158 3.347,1159 28.973,1160 1.953,1161 17.596,1162 22.783,1164 36.444,1165 17.296,1166 11270,1167 14373,1168 20.742,1169 41.722,1170 41.809,1171 42.205,1172 43.06,1173 41.998,1174 41.989,1175 50.517,1176 0.8,1177 107.906,1178 41.318,1179 5.609,1180 5.361,1181 6.817,1182 5.247,1183 5.226,1184 7.564,1185 0.8,1186 18.879,1187 5.162,1188 7.851,1189 1.394,1190 1.407,1191 1.435,1192 1.4,1193 1.4,1194 1.684,1195 0.027,1196 3.597,1197 1.377,1198 4.114,1199 4.145,1200 4.073,1201 4.041,1202 5.009,1203 4.045,1204 3.824,1205 3.889,1206 3.66,1207 3.705,1208 4.97,1209 3.685,1210 3.732,1211 3.781,1212 3.616,1213 3.649,1214 4.413,1215 3.635,1216 3.704,1217 3.776,1218 3.534,1219 3.569,1220 4.27,1221 3.55,1222 3.557,1223 3.639,1224 3.38,1225 3.396,1226 4.172,1227 3.38,1228 3.382,1229 3.47,1230 3.21,1231 3.21,1232 4.012,1233 3.2,1234 3.242,1235 3.317,1236 3.079,1237 3.099,1238 3.965,1239 3.082,1240 3.146,1241 3.228,1242 2.998,1243 2.97,1244 3.8,1245 2.966,1246 0.155,1247 0.112,1248 0.228,1249 0.14,1250 0.108,1251 4.64,1252 0.152,1253 3.361,1254 0.013,1255 6.829,1256 0.378,1257 4.207,1258 0.105,1259 3.226,1260 4.564,1261 0.4,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.444,1269 2.163,1270 1.826,1271 1.765,1272 2.072,1273 1.981,1274 1.43,1275 2.016,1276 1.754,1277 1.709,1278 1.983,1279 1.9,1280 1.33,1281 1.932,1282 1.724,1283 1.658,1284 1.948,1285 1.872,1286 1.175,1287 1.901,1288 1.567,1289 1.493,1290 1.847,1291 1.773,1292 1.134,1293 1.802,1294 1.381,1295 1.302,1296 1.679,1297 1.613,1298 0.953,1299 1.641,1300 1.252,1301 1.186,1302 1.514,1303 1.452,1304 0.762,1305 1.48,1306 1.138,1307 1.061,1308 1.45,1309 1.355,1310 0.723,1311 1.381,1312 4.111,1314 5.342,1316 6.79,1318 8.366,1320 10.024,1326 5.539,1328 20.284,1329 3.796,1340 37.547,1341 79.446,1342 178.654,1343 240.389,1344 296.918,1345 327.408,1346 348.428,1347 46.838,1348 7.385,1349 50.94,1350 50.94,1351 18,1352 12.325,1353 3.585,1354 2.7,1355 50.39,1356 138,1357 182,1358 0.171,1359 234.145,1360 401.98,1361 563.073,1362 18230,1364 19.443,1365 0.694,1366 0.63,1367 19.443,1368 17.648,1369 13.898,1370 0.463,1371 0.391,1372 11.695,1373 13.722,1374 11.47,1375 9.607,1376 13.898,1377 11.743,1378 10.994,1379 0.297,1380 0.227,1381 10.994,1382 8.387,1383 9.032,1384 0.188,1385 0.127,1386 9.032,1387 6.102,1388 7.541,1389 0.12,1390 0.071,1391 7.541,1392 4.471,1393 6.318,1394 0.077,1395 0.04,1396 6.318,1397 3.299,1398 0.284,1399 84.605,1400 0.22,1401 27.894,1402 0.428,1403 134,1404 237.29,1405 138.468,1406 241.204,1407 345.09,1408 230,1409 152,1410 261.93,1411 156.829,1412 268.481,1413 394.45,1414 257,1415 6.745}
{0 CHEMBL1084094,1 1.204,2 12.346,3 5.951,4 35.417,5 113.164,6 5.797,7 0.393,8 4.147,9 4.299,10 3.5,11 3.678,12 4.982,13 3.596,14 4.754,15 4.986,16 3.784,17 4.087,18 5.479,19 3.961,20 5.044,21 5.321,22 3.848,23 4.241,24 5.716,25 4.075,26 5.091,27 5.393,28 3.78,29 4.212,30 5.73,31 4.031,32 5.013,33 5.298,34 3.696,35 4.187,36 5.647,37 4.001,38 5.033,39 5.326,40 3.568,41 4.177,42 5.624,43 3.958,44 5.024,45 5.342,46 3.395,47 4.084,48 5.561,49 3.836,50 4.891,51 5.221,52 3.237,53 3.915,54 5.407,55 3.664,56 0.081,57 0.869,58 15.38,59 6.058,60 9.44,61 9.072,62 0.181,63 1.416,64 27.043,65 9.959,66 16.365,67 15.268,68 0.22,69 1.736,70 34.752,71 12.96,72 23.565,73 19.793,74 0.282,75 1.746,76 35.989,77 12.901,78 26.088,79 19.915,80 0.228,81 1.645,82 33.442,83 12.503,84 21.317,85 19.031,86 0.2,87 1.622,88 33.473,89 13.332,90 19.97,91 19.815,92 0.188,93 1.52,94 32.351,95 12.957,96 19.249,97 19.226,98 0.171,99 1.303,100 28.09,101 11.01,102 16.666,103 16.468,104 15,105 36,106 0.197,107 0.453,108 0.651,109 0.78,110 0.834,111 0.85,112 3.303,113 1.13,114 -4.97,115 -4.87,116 -4.57,121 37.7,123 10,126 2,127 2,144 4,145 2,146 1,148 2,176 13,180 5,185 3,187 13,192 5,197 3,200 9,206 3,209 1,211 5,214 10,219 1,224 3,227 13,232 2,237 1,239 14,244 2,249 1,251 12,256 1,264 10,269 1,272 1,277 10,281 1200,282 17.933,283 17.933,284 17.933,285 17.933,286 17.933,287 16.645,288 16.718,289 11.323,290 18.159,291 13.903,292 13.903,293 13.903,294 13.903,295 13.903,296 11.879,297 17.926,298 5.466,299 14.262,300 4.727,301 3.167,302 1.959,303 1.172,304 0.844,305 0.746,306 3.994,312 1,313 687,314 3.808,318 176.921,322 203.269,325 1.831,326 8.88,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 53.5,338 321,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.8,346 11.348,347 3.162,348 3.914,349 2.669,350 5.982,351 3.524,352 2.532,353 3.437,354 0.4,355 8.37,356 2.512,357 3.522,358 2.576,359 5.381,360 3.16,361 2.236,362 2.893,364 6.711,365 2.083,366 3.236,367 2.356,368 4.659,369 3.135,370 2.182,371 2.236,373 5.184,374 2.066,375 2.941,376 1.901,377 4.116,378 2.845,379 1.856,380 2.142,382 3.788,383 1.832,384 2.87,385 1.698,386 3.981,387 2.537,388 1.559,389 1.876,391 3.383,392 1.524,393 2.629,394 1.524,395 3.827,396 2.487,397 1.497,398 1.66,400 3.329,401 1.48,402 2.521,403 1.438,404 3.615,405 2.345,406 1.347,407 1.523,409 3.078,410 1.343,411 2.482,412 1.35,413 3.594,414 2.242,415 1.247,416 1.481,418 2.902,419 1.24,420 2.162,421 1.233,422 3.432,423 2.1,424 1.128,425 1.155,427 2.451,428 1.094,429 1.884,430 0.866,431 3.059,432 1.76,433 0.775,434 0.837,436 1.724,437 0.762,438 1.542,439 0.511,440 2.854,441 1.394,442 0.42,443 0.455,445 0.901,446 0.408,447 1.243,448 0.138,449 2.576,450 1.011,451 0.045,452 0.051,454 0.106,455 0.043,456 0.918,457 -0.131,458 2.404,459 0.693,460 -0.276,461 -0.304,463 -0.638,464 -0.267,465 0.849,466 -0.404,467 2.135,468 0.538,469 -0.445,470 -0.568,472 -1.091,473 -0.436,474 12.7,475 0.488,476 0.418,477 0.016,478 26.25,479 1.01,480 10.5,481 0.404,482 15.75,483 0.606,484 27.544,485 1.059,486 29.9,487 0.49,488 15.285,489 0.588,490 4.33,491 0.167,492 8.424,493 0.324,494 0.079,496 0.228,501 1.046,502 1.453,503 1.085,504 1.26,505 0.952,506 1.189,507 1.411,508 1.155,509 1.109,510 1.071,511 0.899,512 1.071,513 1.028,514 1.125,515 0.979,516 1.035,517 0.996,518 1.009,519 1.191,520 0.936,521 0.947,522 0.895,523 1.08,524 0.903,525 1.271,526 0.993,527 1.091,528 1.012,529 1.2,530 1.035,531 0.93,532 1.037,533 1.104,534 1.108,535 1.058,536 1.116,537 0.738,538 0.972,539 0.995,540 1.034,541 0.912,542 1.032,543 0.769,544 0.893,545 0.918,546 0.936,547 0.855,548 0.936,549 3,550 0.062,551 2,552 1.313,553 1.2,554 0.438,555 0.3,556 0.161,557 0.123,558 0.097,559 8780,560 14111,561 2.082,562 57.4,563 14,564 14,567 1,568 2,569 4,572 1.685,573 2,574 3.492,575 -0.446,582 73.453,583 1.204,584 2.763,585 3.972,586 4.758,587 5.086,588 5.185,589 2.859,590 4.056,591 4.663,592 3.76,593 1222.04,594 8.053,595 16348.1,600 361.775,601 1.14,602 4.655,603 0.107,604 0.004,605 0.056,606 0.035,607 0.035,608 0.014,609 0.012,610 0.008,611 0.007,612 0.006,613 0.283,614 0.5,615 1,616 2.273,617 130.678,618 0.077,619 -0.14,620 0.06,621 -0.034,622 0.125,623 0.004,624 -0.101,625 0.009,626 -0.027,627 0.004,628 0.106,629 -0.005,630 0.036,631 -0.085,632 0.036,633 -0.019,634 0.097,635 0.004,636 0.038,637 0.066,638 0.058,639 0.065,640 0.071,641 0.063,642 -0.143,643 0.04,644 -0.079,645 -0.012,646 -0.146,647 -0.036,648 -0.105,649 -0.049,650 -0.128,651 -0.096,652 -0.164,653 -0.111,654 -0.024,655 -0.051,656 -0.053,657 -0.058,658 -0.087,659 -0.057,660 0.001,661 0.006,662 0.016,663 0.014,664 -0.033,665 0.016,666 0.517,667 1.931,668 0.538,669 28.189,670 0.974,671 1.133,672 3.739,673 13.981,674 0.626,675 3.367,676 3.611,677 3.85,678 4.127,679 4.394,680 4.454,681 4.575,682 4.663,683 4.71,684 4.543,685 7.376,686 0.565,687 353.61,688 3.367,689 4.86,690 5.68,691 6.532,692 7.386,693 8.258,694 9.13,695 10.014,696 10.898,697 11.79,698 4.9,701 1,703 1,708 1,714 2,715 4,716 1,720 3,722 11,734 1,741 61,743 11,744 1,745 28,747 63,748 23,749 9,750 2,751 4,756 3,757 6,767 4,770 10,772 9,773 14,793 35,794 3,795 1,796 3,802 3,808 0.333,822 1,829 3,833 2,855 1,859 1,864 2,868 26,876 12,877 1,881 1,901 13,902 11.233,903 5.944,904 4.288,907 2.413,908 1.332,909 0.964,910 7.461,911 9.687,912 3.541,913 4.052,914 4.63,915 5.248,916 5.859,917 6.187,918 6.564,919 6.905,920 7.199,921 7.002,922 0.875,923 37,924 9.69,926 3.911,927 0.026,929 7.263,931 19.83,933 16.405,936 1.763,937 45.833,938 0.001,941 400.217,942 97.671,943 37.921,948 97.671,949 400.217,950 37.921,951 16.793,952 29.557,953 37.905,954 34.796,955 16.54,957 400.217,959 400.217,960 135.591,964 353.133,965 47.084,968 37.582,969 63.213,970 34.796,972 400.217,973 37.921,974 97.671,977 400.217,978 42.973,979 57.822,980 18.011,981 16.786,982 400.217,983 37.921,984 97.671,986 0.553,987 0.305,988 0.173,989 0.099,990 15,991 6,992 0.159,993 10,994 2,995 1.286,996 3.969,997 202.125,998 0.286,999 14,1000 118.211,1005 19.324,1006 10.038,1007 5.526,1008 2.452,1009 37.921,1010 8.621,1011 4.931,1015 4.188,1017 18.011,1018 535.809,1019 33.5,1031 59.443,1032 69.138,1034 0.203,1035 0.466,1036 0.67,1037 0.802,1038 0.858,1039 0.874,1040 4.743,1041 1.347,1042 5.609,1043 3.329,1044 4.29,1045 4.736,1046 0.824,1047 6.368,1048 4.241,1049 5.881,1050 1.247,1051 7.12,1052 3.078,1053 3.611,1054 4.477,1055 0.325,1056 7.222,1057 3.514,1058 7.153,1059 1.128,1060 8.748,1061 2.902,1062 5.796,1063 6.916,1064 0.413,1065 10.395,1066 5.701,1067 8.473,1068 0.775,1069 10.455,1070 2.451,1071 6.043,1072 7.633,1073 0.268,1074 12.208,1075 5.91,1076 9.843,1077 0.42,1078 12.216,1079 1.724,1080 7.63,1081 9.52,1082 0.246,1083 14.884,1084 7.496,1085 11.248,1086 0.045,1087 14.015,1088 0.901,1089 8.36,1090 10.681,1091 0.188,1092 17.064,1093 8.199,1094 12.682,1095 -0.276,1096 15.841,1097 0.106,1098 9.687,1099 12.346,1100 0.157,1101 19.578,1102 9.518,1103 3.226,1104 -0.445,1105 17.687,1106 -0.638,1107 10.657,1108 13.705,1109 0.125,1110 21.902,1111 10.466,1112 2.532,1113 11.348,1114 19.548,1115 -1.091,1116 11.879,1117 15.281,1118 0.102,1119 24.361,1120 11.675,1121 2.236,1122 8.37,1123 21.42,1124 4.564,1125 12.961,1126 16.728,1127 0.082,1128 26.744,1129 12.735,1130 2.182,1131 6.711,1132 23.3,1133 3.437,1134 14.145,1135 18.268,1136 0.067,1137 29.184,1138 13.903,1139 1.856,1140 5.184,1141 25.187,1142 2.893,1143 15.276,1144 19.754,1145 0.054,1146 31.592,1147 15.013,1148 1.559,1149 3.788,1150 27.079,1151 2.236,1152 16.447,1153 21.28,1154 0.043,1155 34.024,1156 16.166,1157 1.497,1158 3.383,1159 28.975,1160 2.142,1161 17.6,1162 22.783,1163 0.035,1164 36.444,1165 17.298,1166 8620,1167 11085,1168 19.068,1169 38.199,1170 40.064,1171 40.117,1172 40.955,1173 40.143,1174 40.099,1175 48.623,1176 2.4,1177 106.551,1178 39.096,1179 5.601,1180 5.361,1181 6.739,1182 5.247,1183 5.226,1184 7.564,1185 1.2,1186 18.879,1187 5.162,1188 10.202,1189 1.431,1190 1.433,1191 1.463,1192 1.434,1193 1.432,1194 1.737,1195 0.086,1196 3.805,1197 1.396,1198 4.113,1199 4.144,1200 4.073,1201 4.041,1202 4.972,1203 4.045,1204 3.804,1205 3.874,1206 3.646,1207 3.673,1208 4.414,1209 3.657,1210 3.732,1211 3.781,1212 3.615,1213 3.647,1214 4.346,1215 3.633,1216 3.655,1217 3.737,1218 3.493,1219 3.477,1220 4.252,1221 3.468,1222 3.469,1223 3.558,1224 3.297,1225 3.268,1226 4.071,1227 3.264,1228 3.285,1229 3.361,1230 3.126,1231 3.145,1232 3.974,1233 3.132,1234 3.162,1235 3.24,1236 3.02,1237 2.983,1238 3.813,1239 2.979,1240 3.093,1241 3.18,1242 2.874,1243 2.927,1244 3.61,1245 2.902,1246 0.166,1247 0.12,1248 0.244,1249 0.15,1250 0.115,1251 4.64,1252 0.163,1253 3.361,1254 0.029,1255 6.829,1256 0.405,1257 4.207,1258 0.113,1259 3.226,1260 4.564,1261 0.8,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.438,1269 2.163,1270 1.801,1271 1.738,1272 2.048,1273 1.971,1274 1.404,1275 2,1276 1.754,1277 1.709,1278 1.949,1279 1.873,1280 1.225,1281 1.902,1282 1.647,1283 1.571,1284 1.91,1285 1.863,1286 1.142,1287 1.884,1288 1.46,1289 1.373,1290 1.758,1291 1.698,1292 0.968,1293 1.725,1294 1.289,1295 1.222,1296 1.574,1297 1.496,1298 0.774,1299 1.528,1300 1.162,1301 1.082,1302 1.459,1303 1.36,1304 0.746,1305 1.387,1306 1.123,1307 1.041,1308 1.42,1309 1.335,1310 0.618,1311 1.381,1312 4.043,1314 5.303,1316 6.772,1318 8.36,1320 10.025,1322 4.32,1328 15.253,1329 3.786,1333 2.281,1340 34.493,1341 73.453,1342 168.568,1343 242.265,1344 290.265,1345 310.265,1346 316.265,1347 38.751,1348 7.274,1349 28.16,1350 28.16,1351 18,1352 12.32,1353 3.585,1354 2.7,1355 44.796,1356 110,1357 134,1358 0.19,1359 214.96,1360 367.38,1361 516.262,1362 15092,1364 18.192,1365 0.7,1366 0.642,1367 18.192,1368 16.689,1369 12.754,1370 0.456,1371 0.377,1372 10.47,1373 12.504,1374 10.154,1375 8.536,1376 12.754,1377 10.546,1378 10.762,1379 0.299,1380 0.222,1381 10.762,1382 7.988,1383 8.46,1384 0.184,1385 0.12,1386 8.46,1387 5.503,1388 7.136,1389 0.117,1390 0.066,1391 7.136,1392 4.048,1393 6.032,1394 0.075,1395 0.037,1396 6.032,1397 2.999,1398 0.308,1399 78.168,1400 0.229,1401 25.834,1402 0.489,1403 128,1404 241.623,1405 133.19,1406 244.004,1407 346.51,1408 232,1409 146,1410 260.915,1411 152.162,1412 270.835,1413 394.67,1414 255,1415 7.328}
{0 CHEMBL1084095,1 1.195,2 13.148,3 6.407,4 41.055,5 117.765,6 5.744,7 0.379,8 4.191,9 4.345,10 3.535,11 3.721,12 5.017,13 3.637,14 4.801,15 5.035,16 3.814,17 4.131,18 5.517,19 4.001,20 5.096,21 5.377,22 3.877,23 4.285,24 5.755,25 4.113,26 5.141,27 5.445,28 3.811,29 4.257,30 5.769,31 4.071,32 5.067,33 5.354,34 3.73,35 4.233,36 5.689,37 4.043,38 5.086,39 5.381,40 3.606,41 4.223,42 5.667,43 4.001,44 5.077,45 5.396,46 3.44,47 4.135,48 5.607,49 3.885,50 4.951,51 5.282,52 3.289,53 3.975,54 5.46,55 3.722,56 0.085,57 0.907,58 16.176,59 6.401,60 9.76,61 9.573,62 0.187,63 1.479,64 28.359,65 10.532,66 16.884,67 16.105,68 0.228,69 1.814,70 36.441,71 13.679,72 24.241,73 20.849,74 0.289,75 1.824,76 37.618,77 13.61,78 26.637,79 20.95,80 0.235,81 1.723,82 35.103,83 13.226,84 21.869,85 20.085,86 0.206,87 1.7,88 35.095,89 14.046,90 20.483,91 20.847,92 0.194,93 1.597,94 33.913,95 13.654,96 19.689,97 20.227,98 0.178,99 1.38,100 29.65,101 11.707,102 17.109,103 17.47,104 16,105 37,106 0.194,107 0.44,108 0.634,109 0.762,110 0.824,111 0.854,112 3.339,113 1.143,114 -5.18,115 -5.07,116 -4.75,121 37.5,123 11,126 2,127 2,144 4,145 2,146 1,148 2,176 14,180 5,185 3,187 14,192 5,197 3,200 10,206 3,209 1,211 5,214 11,219 1,224 3,227 14,232 2,237 1,239 15,244 2,249 1,251 12,256 2,261 1,264 10,269 1,277 10,281 1323,282 18.64,283 18.64,284 18.64,285 18.64,286 18.64,287 17.352,288 16.718,289 11.823,290 18.866,291 14.403,292 14.403,293 14.403,294 14.403,295 14.403,296 12.379,297 17.926,298 5.716,299 14.762,300 4.805,301 3.29,302 2.097,303 1.304,304 0.922,305 0.742,306 4.03,312 1,313 759,314 3.937,318 188.88,322 217.029,325 1.984,326 8.947,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 55.5,338 355,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.8,346 11.348,347 3.162,348 3.914,349 2.669,350 5.982,351 3.524,352 2.532,353 3.437,354 0.4,355 8.37,356 2.512,357 3.522,358 2.576,359 5.381,360 3.16,361 2.236,362 2.893,364 6.711,365 2.082,366 3.236,367 2.356,368 4.659,369 3.135,370 2.182,371 2.236,373 5.184,374 2.068,375 2.941,376 1.917,377 4.116,378 2.874,379 1.882,380 2.142,382 3.824,383 1.862,384 2.892,385 1.734,386 3.984,387 2.596,388 1.615,389 1.898,391 3.438,392 1.582,393 2.66,394 1.556,395 3.853,396 2.508,397 1.517,398 1.685,400 3.329,401 1.502,402 2.563,403 1.446,404 3.645,405 2.345,406 1.347,407 1.573,409 3.168,410 1.343,411 2.487,412 1.35,413 3.594,414 2.242,415 1.247,416 1.486,418 2.902,419 1.24,420 2.263,421 1.324,422 3.496,423 2.219,424 1.243,425 1.26,427 2.636,428 1.21,429 1.971,430 0.985,431 3.176,432 1.87,433 0.89,434 0.942,436 1.978,437 0.871,438 1.686,439 0.66,440 2.891,441 1.56,442 0.577,443 0.624,445 1.239,446 0.566,447 1.366,448 0.288,449 2.724,450 1.176,451 0.207,452 0.226,454 0.457,455 0.2,456 1.065,457 0.019,458 2.404,459 0.868,460 -0.1,461 -0.113,463 -0.237,464 -0.097,465 0.916,466 -0.319,467 2.337,468 0.538,469 -0.445,470 -0.483,472 -1.006,473 -0.436,474 13.2,475 0.489,476 0.418,477 0.015,478 26.75,479 0.991,480 10.5,481 0.389,482 16.25,483 0.602,484 29.376,485 1.088,486 31.2,487 0.488,488 15.437,489 0.572,490 4.33,491 0.16,492 8.924,493 0.331,494 0.076,496 0.22,501 1.051,502 1.455,503 1.099,504 1.27,505 0.955,506 1.202,507 1.407,508 1.169,509 1.123,510 1.09,511 0.902,512 1.089,513 1.021,514 1.118,515 0.977,516 1.033,517 0.986,518 1.007,519 1.182,520 0.939,521 0.947,522 0.899,523 1.07,524 0.907,525 1.256,526 0.993,527 1.084,528 1.01,529 1.184,530 1.032,531 0.924,532 1.034,533 1.097,534 1.101,535 1.046,536 1.108,537 0.737,538 0.972,539 0.992,540 1.031,541 0.904,542 1.028,543 0.764,544 0.897,545 0.919,546 0.938,547 0.845,548 0.938,549 3,550 0.078,551 2,552 1.313,553 1.2,554 0.438,555 0.3,556 0.161,557 0.123,558 0.097,559 10033,560 15898,561 2.079,562 57.8,563 16,564 14,567 1,568 2,569 4,572 1.693,573 2,574 3.573,575 -0.455,582 76.456,583 1.195,584 2.71,585 3.903,586 4.696,587 5.078,588 5.258,589 2.982,590 4.236,591 4.718,592 3.854,593 1352.67,594 8.155,595 18936.6,600 384,601 1.117,602 4.711,603 0.103,604 0.005,605 0.054,606 0.035,607 0.034,608 0.014,609 0.011,610 0.007,611 0.006,612 0.005,613 0.275,614 0.5,615 0.88,616 2.391,617 138.324,618 0.079,619 -0.135,620 0.058,621 -0.033,622 0.131,623 0.004,624 -0.098,625 -0.002,626 -0.035,627 -0.008,628 0.107,629 -0.016,630 0.04,631 -0.08,632 0.038,633 -0.016,634 0.104,635 0.006,636 0.042,637 0.063,638 0.057,639 0.063,640 0.077,641 0.061,642 -0.134,643 0.039,644 -0.071,645 -0.01,646 -0.133,647 -0.032,648 -0.099,649 -0.046,650 -0.119,651 -0.09,652 -0.154,653 -0.103,654 -0.023,655 -0.048,656 -0.05,657 -0.055,658 -0.081,659 -0.054,660 0.002,661 0.005,662 0.015,663 0.013,664 -0.029,665 0.015,666 0.515,667 1.937,668 0.519,669 30.667,670 0.974,671 1.134,672 3.95,673 15.604,674 0.624,675 3.401,676 3.638,677 3.871,678 4.143,679 4.407,680 4.466,681 4.585,682 4.673,683 4.718,684 4.554,685 7.844,686 0.563,687 367.64,688 3.401,689 4.89,690 5.707,691 6.555,692 7.405,693 8.274,694 9.144,695 10.025,696 10.908,697 11.798,698 4.7,701 1,703 1,708 1,714 2,715 4,716 1,720 3,722 11,734 1,741 64,743 11,744 1,745 29,747 66,748 24,749 9,750 2,751 4,756 3,757 6,767 4,770 11,772 9,773 15,793 37,794 3,795 1,796 3,802 3,808 0.333,822 1,829 3,833 2,855 1,859 1,864 2,868 27,876 13,877 1,881 1,901 13.5,902 11.733,903 6.194,904 4.538,907 2.409,908 1.329,909 0.96,910 8.103,911 9.74,912 3.57,913 4.069,914 4.64,915 5.253,916 5.862,917 6.189,918 6.565,919 6.906,920 7.2,921 7.003,922 1,923 38,924 10.068,926 4.053,927 0.026,929 7.253,931 20.647,933 17.072,936 1.753,937 47.333,938 0.001,941 423.76,942 100.205,943 37.921,948 100.205,949 423.76,950 37.921,951 16.793,952 32.091,953 37.905,954 34.796,955 16.54,957 423.76,959 423.76,960 138.126,964 376.675,965 47.084,968 40.116,969 63.213,970 34.796,972 423.76,973 37.921,974 100.205,977 423.76,978 45.507,979 57.822,980 18.011,981 16.786,982 423.76,983 37.921,984 100.205,986 0.551,987 0.303,988 0.171,989 0.098,990 15,991 6,992 0.167,993 11,994 2,995 1.286,996 4.092,997 210.326,998 0.286,999 14,1000 124.382,1005 20.297,1006 10.78,1007 6.021,1008 2.456,1009 37.921,1010 8.632,1011 4.937,1015 4.194,1017 18.011,1018 561.885,1019 34.5,1031 62.327,1032 72.553,1034 0.199,1035 0.452,1036 0.651,1037 0.783,1038 0.846,1039 0.876,1040 4.769,1041 1.347,1042 5.631,1043 3.329,1044 4.317,1045 4.754,1046 0.824,1047 6.382,1048 4.27,1049 5.9,1050 1.247,1051 7.136,1052 3.168,1053 3.611,1054 4.477,1055 0.325,1056 7.222,1057 3.514,1058 7.168,1059 1.243,1060 8.76,1061 2.902,1062 5.814,1063 6.922,1064 0.413,1065 10.398,1066 5.721,1067 8.484,1068 0.89,1069 10.462,1070 2.636,1071 6.043,1072 7.633,1073 0.268,1074 12.208,1075 5.91,1076 9.851,1077 0.577,1078 12.22,1079 1.978,1080 7.64,1081 9.522,1082 0.246,1083 14.885,1084 7.507,1085 11.253,1086 0.207,1087 14.018,1088 1.239,1089 8.36,1090 10.681,1091 0.188,1092 17.064,1093 8.199,1094 12.685,1095 -0.1,1096 15.843,1097 0.457,1098 9.691,1099 12.347,1100 0.157,1101 19.578,1102 9.523,1103 3.226,1104 -0.445,1105 17.688,1106 -0.237,1107 10.657,1108 13.705,1109 0.125,1110 21.902,1111 10.466,1112 2.532,1113 11.348,1114 19.549,1115 -1.006,1116 11.881,1117 15.281,1118 0.102,1119 24.361,1120 11.677,1121 2.236,1122 8.37,1123 21.42,1124 4.564,1125 12.961,1126 16.728,1127 0.082,1128 26.744,1129 12.735,1130 2.182,1131 6.711,1132 23.3,1133 3.437,1134 14.145,1135 18.268,1136 0.067,1137 29.184,1138 13.904,1139 1.882,1140 5.184,1141 25.187,1142 2.893,1143 15.276,1144 19.754,1145 0.054,1146 31.592,1147 15.013,1148 1.615,1149 3.824,1150 27.079,1151 2.236,1152 16.448,1153 21.28,1154 0.043,1155 34.024,1156 16.166,1157 1.517,1158 3.438,1159 28.975,1160 2.142,1161 17.6,1162 22.783,1163 0.035,1164 36.444,1165 17.298,1166 9837,1167 12557,1168 19.761,1169 39.961,1170 41.35,1171 41.428,1172 42.316,1173 41.458,1174 41.403,1175 49.931,1176 2.4,1177 109.168,1178 40.398,1179 5.605,1180 5.361,1181 6.754,1182 5.247,1183 5.226,1184 7.564,1185 1.2,1186 18.879,1187 5.162,1188 10.531,1189 1.426,1190 1.429,1191 1.459,1192 1.43,1193 1.428,1194 1.722,1195 0.083,1196 3.764,1197 1.393,1198 4.113,1199 4.145,1200 4.073,1201 4.041,1202 4.972,1203 4.045,1204 3.813,1205 3.881,1206 3.654,1207 3.685,1208 4.414,1209 3.667,1210 3.732,1211 3.781,1212 3.615,1213 3.648,1214 4.347,1215 3.634,1216 3.678,1217 3.757,1218 3.516,1219 3.51,1220 4.256,1221 3.499,1222 3.512,1223 3.599,1224 3.34,1225 3.314,1226 4.101,1227 3.309,1228 3.327,1229 3.41,1230 3.163,1231 3.17,1232 3.978,1233 3.16,1234 3.197,1235 3.27,1236 3.042,1237 3.035,1238 3.867,1239 3.02,1240 3.123,1241 3.205,1242 2.944,1243 2.96,1244 3.663,1245 2.95,1246 0.16,1247 0.116,1248 0.235,1249 0.145,1250 0.111,1251 4.64,1252 0.157,1253 3.361,1254 0.028,1255 6.829,1256 0.391,1257 4.207,1258 0.109,1259 3.226,1260 4.564,1261 0.8,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.439,1269 2.163,1270 1.81,1271 1.748,1272 2.057,1273 1.976,1274 1.415,1275 2.007,1276 1.754,1277 1.709,1278 1.95,1279 1.883,1280 1.263,1281 1.907,1282 1.676,1283 1.603,1284 1.934,1285 1.872,1286 1.147,1287 1.899,1288 1.503,1289 1.418,1290 1.793,1291 1.736,1292 1.033,1293 1.762,1294 1.327,1295 1.253,1296 1.632,1297 1.551,1298 0.827,1299 1.583,1300 1.213,1301 1.14,1302 1.478,1303 1.391,1304 0.754,1305 1.425,1306 1.131,1307 1.054,1308 1.435,1309 1.346,1310 0.651,1311 1.381,1312 4.078,1314 5.333,1316 6.795,1318 8.376,1320 10.036,1322 4.326,1328 16.709,1329 3.794,1333 2.285,1340 36.02,1341 76.456,1342 173.471,1343 249.822,1344 300.516,1345 324.98,1346 336.49,1347 41.733,1348 7.331,1349 28.16,1350 28.16,1351 18,1352 12.33,1353 3.585,1354 2.7,1355 47.549,1356 123,1357 146,1358 0.18,1359 224.552,1360 384.68,1361 539.668,1362 16578,1364 18.899,1365 0.7,1366 0.644,1367 18.899,1368 17.396,1369 13.254,1370 0.457,1371 0.381,1372 10.97,1373 13.004,1374 10.644,1375 8.953,1376 13.254,1377 11.046,1378 11.116,1379 0.3,1380 0.225,1381 11.116,1382 8.341,1383 8.71,1384 0.185,1385 0.122,1386 8.71,1387 5.753,1388 7.313,1389 0.118,1390 0.068,1391 7.313,1392 4.225,1393 6.157,1394 0.076,1395 0.039,1396 6.157,1397 3.124,1398 0.296,1399 81.168,1400 0.225,1401 26.836,1402 0.459,1403 132,1404 245.623,1405 137.19,1406 248.165,1407 352.27,1408 236,1409 150,1410 264.915,1411 156.162,1412 274.996,1413 400.43,1414 259,1415 7.149}
{0 CHEMBL1084096,1 1.263,2 14.767,3 6.119,4 37.445,5 127.271,6 6.291,7 0.515,8 4.214,9 4.358,10 3.643,11 3.776,12 5.123,13 3.711,14 4.792,15 4.999,16 3.93,17 4.179,18 5.609,19 4.068,20 5.105,21 5.383,22 3.978,23 4.304,24 5.82,25 4.157,26 5.079,27 5.356,28 3.886,29 4.264,30 5.789,31 4.104,32 5.066,33 5.341,34 3.806,35 4.267,36 5.733,37 4.091,38 5.092,39 5.376,40 3.694,41 4.261,42 5.722,43 4.055,44 5.083,45 5.391,46 3.543,47 4.176,48 5.666,49 3.945,50 4.958,51 5.276,52 3.409,53 4.023,54 5.527,55 3.793,56 0.08,57 0.93,58 15.382,59 6.191,60 10.516,61 9.067,62 0.164,63 1.528,64 27.472,65 10.544,66 19.564,67 15.712,68 0.26,69 1.9,70 37.472,71 13.571,72 28.523,73 20.656,74 0.322,75 1.849,76 36.64,77 13.208,78 29.699,79 20,80 0.25,81 1.799,82 35.88,83 13.549,84 24.533,85 20.296,86 0.228,87 1.793,88 36.534,89 14.455,90 24.12,91 21.362,92 0.22,93 1.703,94 36.019,95 14.272,96 24.116,97 21.119,98 0.205,99 1.485,100 31.795,101 12.323,102 21.572,103 18.368,105 42,106 0.202,107 0.492,108 0.657,109 0.781,110 0.827,111 0.842,112 3.439,113 1.064,114 -4.81,115 -4.72,116 -4.44,121 40.6,123 10,127 2,144 6,145 2,146 2,147 2,148 2,176 13,180 6,185 6,187 14,192 4,197 4,200 9,206 2,209 2,211 6,214 12,224 4,227 15,232 2,237 2,239 16,244 2,249 2,251 14,256 2,264 12,269 2,273 1,277 12,281 1648,282 21.209,283 21.209,284 21.209,285 21.209,286 21.209,287 19.17,288 19.688,289 13.475,290 21.46,291 16.403,292 16.403,293 16.403,294 16.403,295 16.403,296 13.335,297 24.908,298 6.515,299 16.8,300 4.737,301 2.93,302 1.899,303 1.125,304 0.844,305 0.75,306 4.148,312 1,313 977,314 3.606,318 332.105,322 251.607,325 2.229,326 11.774,329 1,330 0.83,331 0.83,332 1,333 0.5,334 0.83,335 0.5,336 0.79,337 62,338 443,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.4,346 11.348,347 3.162,348 3.914,349 2.669,350 5.982,351 3.524,352 2.532,353 3.444,354 0.4,355 8.37,356 2.512,357 3.896,358 2.659,359 5.381,360 3.487,361 2.522,362 3.437,364 6.965,365 2.433,366 3.522,367 2.356,368 5.34,369 3.136,370 2.182,371 2.893,373 6.711,374 2.08,375 2.975,376 1.932,377 4.116,378 2.896,379 1.901,380 2.142,382 3.85,383 1.89,384 2.94,385 1.787,386 3.986,387 2.649,388 1.677,389 2.121,391 3.505,392 1.631,393 2.881,394 1.633,395 3.878,396 2.514,397 1.531,398 1.904,400 3.329,401 1.505,402 2.669,403 1.512,404 3.711,405 2.423,406 1.475,407 1.694,409 3.273,410 1.391,411 2.57,412 1.439,413 3.603,414 2.345,415 1.347,416 1.584,418 3.064,419 1.343,420 2.5,421 1.35,422 3.594,423 2.242,424 1.247,425 1.5,427 2.902,428 1.24,429 2.487,430 1.306,431 3.483,432 2.191,433 1.225,434 1.486,436 2.628,437 1.18,438 2.291,439 1.01,440 3.247,441 1.984,442 1,443 1.284,445 2.136,446 0.983,447 1.995,448 1,449 3.21,450 1.867,451 0.894,452 0.962,454 2.008,455 0.868,456 1.725,457 0.696,458 2.921,459 1.564,460 0.59,461 0.652,463 1.291,464 0.574,465 1.407,466 0.329,467 2.79,468 1.194,469 0.233,470 0.26,472 0.52,473 0.223,474 14.6,475 0.487,476 0.342,477 0.011,478 35.5,479 1.183,480 17,481 0.567,482 18.5,483 0.617,484 28.89,485 0.963,486 32.8,487 0.513,488 21.277,489 0.709,490 6.118,491 0.204,492 8.798,493 0.293,496 0.205,501 1.013,502 1.302,503 0.979,504 1.124,505 0.801,506 1.062,507 1.094,508 1.288,509 1.086,510 1.18,511 0.875,512 1.14,513 1.084,514 1.028,515 0.912,516 0.928,517 0.891,518 0.911,519 1.164,520 0.97,521 1.034,522 0.975,523 1.022,524 0.992,525 1.133,526 0.977,527 1.086,528 1.023,529 1.05,530 1.046,531 0.893,532 1.011,533 1.106,534 1.109,535 0.982,536 1.121,537 0.737,538 0.952,539 1.005,540 1.04,541 0.876,542 1.042,543 0.776,544 0.886,545 0.939,546 0.951,547 0.858,548 0.956,549 2.5,550 0.066,551 2,552 1.25,553 1.191,554 0.417,555 0.279,556 0.142,557 0.106,558 0.083,559 15359,560 29851,561 2.169,562 53.1,563 14,564 10,566 2,567 2,568 2,569 4,572 1.718,573 2.143,574 3.738,575 0.111,582 80.815,583 1.263,584 3.07,585 4.101,586 4.875,587 5.156,588 5.25,589 3.085,590 4.148,591 4.878,592 4.015,593 1746.45,594 8.453,595 27378.1,600 384,601 0.722,602 4.885,603 0.076,604 0.003,605 0.048,606 0.029,607 0.031,608 0.012,609 0.009,610 0.006,611 0.005,612 0.004,613 0.223,614 0.33,615 0.88,617 160.667,618 0.014,619 -0.069,620 0.058,621 0.007,622 0.17,623 0.031,624 -0.038,625 -0.164,626 -0.07,627 -0.122,628 0.098,629 -0.102,630 0.015,631 -0.023,632 0.085,633 0.05,634 0.101,635 0.069,636 0.022,637 0.048,638 -0.032,639 -0.006,640 -0.008,641 -0.02,642 -0.14,643 0.023,644 -0.099,645 -0.032,646 -0.155,647 -0.057,648 -0.105,649 -0.051,650 -0.141,651 -0.106,652 -0.164,653 -0.123,654 -0.025,655 -0.046,656 -0.053,657 -0.056,658 -0.085,659 -0.057,660 -0.007,661 0.009,662 0.014,663 0.017,664 -0.046,665 0.017,666 0.527,667 1.941,668 0.667,669 35.129,670 0.979,671 1.128,672 3.583,673 12.835,674 0.648,675 3.526,676 3.761,677 4.025,678 4.29,679 4.543,680 4.554,681 4.663,682 4.745,683 4.787,684 4.635,685 8.86,686 0.594,687 402.64,688 3.526,689 5.017,690 5.844,691 6.688,692 7.54,693 8.402,694 9.268,695 10.141,696 11.017,697 11.898,698 6.3,703 2,708 2,714 2,715 8,716 2,720 4,722 17,734 2,741 64,743 17,744 1,745 33,747 67,748 26,749 14,750 2,751 4,756 4,757 7,767 4,770 10,772 14,773 12,793 34,794 4,795 2,796 4,802 4,808 0.5,822 2,829 4,833 2,859 2,868 30,876 12,877 2,901 14,902 11.067,903 6.861,904 4.497,907 3.121,908 1.405,909 0.994,910 7.827,911 10.819,912 3.75,913 4.277,914 4.862,915 5.454,916 6.038,917 6.263,918 6.617,919 6.943,920 7.227,921 7.037,922 1,923 43,924 11.14,926 4.576,927 0.026,929 7.333,931 22.522,933 18.746,936 1.833,937 55,941 376.675,942 120.682,943 69.593,948 120.682,949 376.675,950 69.593,952 29.557,953 56.857,954 93.135,955 34.268,957 353.133,959 376.675,960 190.275,964 329.591,965 47.084,968 52.552,969 68.13,970 69.593,972 376.675,973 69.593,974 120.682,977 376.675,978 45.73,979 74.952,980 36.022,981 33.571,982 376.675,983 69.593,984 120.682,986 0.549,987 0.316,988 0.182,989 0.103,990 18,991 6,992 0.164,993 11,994 2,995 1.2,996 4.513,997 245.562,998 0.2,999 20,1000 143.207,1005 20.966,1006 11.2,1007 5.881,1008 2.431,1009 69.593,1010 16.321,1011 8.986,1015 5.323,1017 36.022,1018 566.95,1019 41.5,1031 62.661,1032 72.221,1034 0.21,1035 0.512,1036 0.684,1037 0.813,1038 0.859,1039 0.875,1040 4.936,1041 1.475,1042 5.753,1043 3.329,1044 4.443,1045 4.963,1046 0.495,1047 6.494,1048 4.395,1049 6.074,1050 1.347,1051 7.248,1052 3.273,1053 3.611,1054 4.559,1056 7.286,1057 3.544,1058 7.339,1059 1.247,1060 8.86,1061 3.064,1062 5.932,1063 7.134,1064 0.097,1065 10.472,1066 5.841,1067 8.651,1068 1.225,1069 10.552,1070 2.902,1071 6.089,1072 7.727,1074 12.254,1075 5.979,1076 10.011,1077 1,1078 12.301,1079 2.628,1080 7.743,1081 9.687,1082 0.016,1083 14.923,1084 7.612,1085 11.405,1086 0.894,1087 14.089,1088 2.136,1089 8.417,1090 10.755,1092 17.087,1093 8.267,1094 12.826,1095 0.59,1096 15.905,1097 2.008,1098 9.772,1099 12.456,1100 0.003,1101 19.595,1102 9.603,1103 3.226,1104 0.233,1105 17.743,1106 1.291,1107 10.708,1108 13.757,1110 21.913,1111 10.521,1112 2.532,1113 11.348,1114 19.595,1115 0.52,1116 11.939,1117 15.347,1119 24.368,1120 11.732,1121 2.522,1122 8.37,1123 21.459,1124 4.564,1125 13.001,1126 16.762,1128 26.749,1129 12.774,1130 2.182,1131 6.965,1132 23.333,1133 3.444,1134 14.185,1135 18.306,1137 29.186,1138 13.94,1139 1.901,1140 6.711,1141 25.214,1142 3.437,1143 15.304,1144 19.775,1146 31.594,1147 15.039,1148 1.677,1149 3.85,1150 27.101,1151 2.893,1152 16.473,1153 21.301,1155 34.025,1156 16.189,1157 1.531,1158 3.505,1159 28.994,1160 2.142,1161 17.619,1162 22.796,1164 36.444,1165 17.314,1166 14290,1167 20041,1168 23.227,1169 41.444,1170 47.097,1171 47.386,1172 47.779,1173 47.171,1174 47.163,1175 59.853,1176 1.6,1177 123.799,1178 46.03,1179 5.605,1180 5.361,1181 6.753,1182 5.247,1183 5.226,1184 7.564,1185 0.8,1186 18.879,1187 5.162,1189 1.427,1190 1.436,1191 1.448,1192 1.429,1193 1.429,1194 1.814,1195 0.048,1196 3.751,1197 1.395,1198 4.114,1199 4.145,1200 4.074,1201 4.041,1202 4.975,1203 4.045,1204 3.889,1205 3.942,1206 3.817,1207 3.763,1208 4.912,1209 3.77,1210 3.765,1211 3.827,1212 3.623,1213 3.654,1214 4.413,1215 3.64,1216 3.732,1217 3.781,1218 3.602,1219 3.639,1220 4.28,1221 3.623,1222 3.584,1223 3.66,1224 3.419,1225 3.429,1226 4.225,1227 3.415,1228 3.362,1229 3.445,1230 3.208,1231 3.195,1232 4.043,1233 3.188,1234 3.214,1235 3.284,1236 3.067,1237 3.06,1238 3.972,1239 3.049,1240 3.129,1241 3.21,1242 2.981,1243 2.962,1244 3.797,1245 2.955,1246 0.141,1247 0.102,1248 0.207,1249 0.127,1250 0.098,1251 4.64,1252 0.138,1253 3.361,1254 0.012,1255 6.829,1256 0.344,1257 4.207,1258 0.096,1259 3.226,1260 4.564,1261 0.4,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.438,1269 2.163,1270 1.844,1271 1.797,1272 2.048,1273 2.002,1274 1.402,1275 2.013,1276 1.776,1277 1.718,1278 1.953,1279 1.931,1280 1.216,1281 1.951,1282 1.754,1283 1.708,1284 1.946,1285 1.872,1286 1.141,1287 1.902,1288 1.593,1289 1.522,1290 1.85,1291 1.784,1292 0.978,1293 1.811,1294 1.353,1295 1.28,1296 1.633,1297 1.58,1298 0.872,1299 1.602,1300 1.218,1301 1.151,1302 1.47,1303 1.4,1304 0.755,1305 1.425,1306 1.131,1307 1.055,1308 1.43,1309 1.347,1310 0.633,1311 1.381,1312 4.205,1314 5.46,1316 6.929,1318 8.511,1320 10.163,1328 14.69,1329 7.248,1340 37.988,1341 80.815,1342 196.451,1343 262.49,1344 312,1345 330,1346 336,1347 41.423,1348 7.698,1349 49.84,1350 49.84,1351 24,1352 12.435,1353 4.17,1354 3.248,1355 47.707,1356 161,1357 162,1358 0.138,1359 234.356,1360 399.1,1361 563.588,1362 29508,1364 20.435,1365 0.681,1366 0.6,1367 20.435,1368 17.999,1369 14.916,1370 0.452,1371 0.355,1372 11.627,1373 14.636,1374 11.409,1375 9.509,1376 14.916,1377 11.699,1378 12.226,1379 0.291,1380 0.199,1381 12.226,1382 8.347,1383 10.266,1384 0.187,1385 0.111,1386 10.266,1387 6.084,1388 8.669,1389 0.12,1390 0.062,1391 8.669,1392 4.447,1393 7.297,1394 0.078,1395 0.035,1396 7.297,1397 3.278,1398 0.231,1399 91.311,1400 0.207,1401 29.605,1402 0.343,1403 150,1404 309.956,1405 156.883,1406 312.558,1407 446.1,1408 298,1409 172,1410 339.31,1411 179.327,1412 347.145,1413 506.29,1414 331,1415 7.866}
{0 CHEMBL1084155,1 1.229,2 7.364,3 5.573,4 31.057,5 90.565,6 6.867,7 0.68,8 3.82,9 3.945,10 3.345,11 3.465,12 4.804,13 3.409,14 4.361,15 4.535,16 3.701,17 3.873,18 5.272,19 3.791,20 4.64,21 4.864,22 3.77,23 3.997,24 5.503,25 3.89,26 4.651,27 4.899,28 3.671,29 3.94,30 5.469,31 3.82,32 4.56,33 4.785,34 3.668,35 3.945,36 5.393,37 3.832,38 4.605,39 4.82,40 3.629,41 4.001,42 5.447,43 3.865,44 4.676,45 4.928,46 3.436,47 3.957,48 5.435,49 3.768,50 4.57,51 4.869,52 2.915,53 3.677,54 5.238,55 3.418,56 0.044,57 0.567,58 9.127,59 3.973,60 6.932,61 5.552,62 0.078,63 0.962,64 16.38,65 7.002,66 11.932,67 9.891,68 0.145,69 1.278,70 22.694,71 8.858,72 20.295,73 12.741,74 0.206,75 1.301,76 23.493,77 8.698,78 21.78,79 12.603,80 0.144,81 1.171,82 20.939,83 8.252,84 17.151,85 11.824,86 0.135,87 1.207,88 21.675,89 8.972,90 18.886,91 12.751,92 0.111,93 1.236,94 23.721,95 10.432,96 20.159,97 14.826,98 0.11,99 1.084,100 22.099,101 9.513,102 20.489,103 13.646,104 2,105 35,106 0.214,107 0.549,108 0.717,109 0.825,110 0.853,111 0.853,112 3.149,113 0.966,114 -5.18,115 -5.07,116 -4.74,121 47.6,122 1,123 4,144 8,145 3,146 2,148 2,176 13,180 4,185 4,187 15,192 4,197 4,200 10,206 2,209 1,211 5,214 10,219 1,224 3,227 17,232 2,239 21,244 2,251 20,256 1,264 11,277 3,281 648,282 15.292,283 15.292,284 15.292,285 15.292,286 15.292,287 13.229,288 15.789,289 9.185,290 15.397,291 12.403,292 12.403,293 12.403,294 12.403,295 12.403,296 9.291,297 18.878,298 4.43,299 12.597,300 4.164,301 2.239,302 1.274,303 0.655,304 0.494,305 0.494,306 3.853,311 1,312 1,313 360,314 2.121,318 173.676,322 135.452,325 1,326 8.435,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 45,338 162,339 4.658,340 3.379,341 6.843,342 4.225,343 3.245,344 4.587,345 0.4,346 11.414,347 3.18,348 3.992,349 2.766,350 6.006,351 3.603,352 2.609,353 3.541,355 8.482,356 2.592,357 3.891,358 2.665,359 5.51,360 3.492,361 2.521,362 3.427,364 7.336,365 2.448,366 3.48,367 2.278,368 5.189,369 3.086,370 2.093,371 2.884,373 6.275,374 2.079,375 3.455,376 2.192,377 4.951,378 3.029,379 2.062,380 2.792,382 5.771,383 1.989,384 2.892,385 1.59,386 4.135,387 2.449,388 1.463,389 2.058,391 3.384,392 1.441,393 2.593,394 1.446,395 3.829,396 2.408,397 1.414,398 1.625,400 3.201,401 1.405,402 2.5,403 1.397,404 3.614,405 2.252,406 1.256,407 1.5,409 3.016,410 1.251,411 2.499,412 1,413 3.474,414 2,415 1,416 1.499,418 2.136,419 1,420 1.998,421 0.935,422 3.247,423 1.783,424 0.802,425 0.936,427 2.07,428 0.786,429 1.576,430 0.42,431 3,432 1.214,433 0.256,434 0.324,436 0.659,437 0.245,438 1.051,439 -0.079,440 2.627,441 0.742,442 -0.238,443 -0.291,445 -0.576,446 -0.233,447 0.956,448 -0.268,449 2.521,450 0.566,451 -0.407,452 -0.517,454 -1.049,455 -0.394,456 0.625,457 -0.549,458 2.343,459 0.254,460 -0.741,461 -0.876,463 -1.948,464 -0.737,465 0.5,466 -0.769,467 2,468 0.091,469 -0.896,470 -1.128,472 -2.26,473 -0.883,474 10.8,475 0.491,476 0.448,477 0.02,478 30,479 1.364,480 16.5,481 0.75,482 13.5,483 0.614,484 17.126,485 0.778,486 22.2,487 0.529,488 18.409,489 0.837,490 5.537,491 0.252,492 5.272,493 0.24,494 0.046,496 0.324,501 0.958,502 1.066,503 0.859,504 0.937,505 0.902,506 0.901,507 0.84,508 1.184,509 0.888,510 1.034,511 0.716,512 0.977,513 1.3,514 1.173,515 0.975,516 1.009,517 1.093,518 0.979,519 1.603,520 0.963,521 1.023,522 0.893,523 1.271,524 0.918,525 1.434,526 0.938,527 1.024,528 0.912,529 1.062,530 0.937,531 1.292,532 0.999,533 1.193,534 1.086,535 1.216,536 1.125,537 0.652,538 1.082,539 1.124,540 1.188,541 0.958,542 1.185,543 0.625,544 1.05,545 1.123,546 1.177,547 1.032,548 1.179,549 3.5,551 2,552 1.188,553 1.542,554 0.611,555 0.406,556 0.214,557 0.106,558 0.016,559 4711,560 9103,561 2.205,562 47.6,563 9,564 8,567 1,568 2,572 1.654,573 2.129,574 2.892,575 -0.444,582 51.6,583 1.229,584 3.153,585 4.118,586 4.737,587 4.898,588 4.898,589 2.191,590 4.061,591 4.432,592 3.005,593 694.157,594 7.659,595 7451.96,600 226.477,601 1.143,602 4.418,603 0.14,605 0.057,606 0.033,607 0.048,608 0.019,609 0.013,610 0.009,611 0.009,612 0.005,613 0.333,614 0.83,615 1,616 0.405,617 98.192,618 0.014,620 0.063,621 0.042,622 0.018,623 0.053,624 0.113,625 -0.161,626 0.054,627 -0.056,628 0.181,629 -0.014,630 0.017,631 -0.135,632 0.007,633 -0.061,634 0.01,635 -0.033,636 -0.038,637 0.097,638 -0.019,639 0.038,640 -0.101,641 0.016,642 -0.175,643 0.1,644 -0.047,645 0.044,646 -0.069,647 0.013,648 -0.275,649 0.012,650 -0.237,651 -0.115,652 -0.229,653 -0.163,654 -0.054,655 -0.161,656 -0.171,657 -0.187,658 -0.074,659 -0.186,660 -0.026,661 -0.163,662 -0.148,663 -0.176,664 -0.112,665 -0.171,666 0.565,667 1.919,668 0.909,669 14.545,670 0.98,671 1.113,672 3.946,673 15.574,674 0.687,675 3.258,676 3.584,677 3.892,678 4.22,679 4.554,680 4.635,681 4.804,682 4.949,683 5.037,684 4.905,685 4.712,686 0.638,687 288.42,688 3.258,689 4.796,690 5.659,691 6.55,692 7.438,693 8.339,694 9.238,695 10.144,696 11.049,697 11.958,698 4.8,706 1,708 1,714 2,715 8,716 1,720 5,722 17,734 1,741 42,743 17,744 2,745 25,747 45,748 20,749 15,750 4,751 8,756 4,757 7,763 1,767 4,770 4,772 15,773 5,793 20,794 2,795 1,796 2,802 2,808 0.5,822 1,829 4,833 2,859 2,864 1,868 22,876 4,877 1,901 10.333,902 7.867,903 4.778,904 2.781,907 3.37,908 1.458,909 1.047,910 3.399,911 10.724,912 3.541,913 4.19,914 4.826,915 5.476,916 6.132,917 6.46,918 6.9,919 7.34,920 7.726,921 7.794,922 0.8,923 36,924 8.142,926 3.464,927 0.026,929 7.371,931 16.262,933 13.873,936 1.871,937 41.167,938 0.001,941 223.651,942 114.132,943 34.796,948 114.132,949 223.651,950 34.796,951 8.825,952 10.138,953 75.81,954 16.786,955 37.369,957 223.651,959 223.651,960 148.928,964 223.651,968 41.875,969 90.268,970 16.786,972 223.651,973 34.796,974 114.132,977 223.651,978 29.497,979 84.635,980 18.011,981 16.786,982 223.651,983 34.796,984 114.132,986 0.577,987 0.337,988 0.196,989 0.122,990 19,991 7,992 0.044,993 2,994 2,995 1.2,996 3.428,997 185.514,998 0.2,999 20,1000 90.107,1005 13.479,1006 5.547,1007 2.543,1008 2.342,1009 34.796,1010 16.992,1011 4.919,1015 6.37,1017 18.011,1018 372.579,1019 33.5,1031 41.156,1032 46.733,1034 0.228,1035 0.585,1036 0.764,1037 0.879,1038 0.908,1039 0.908,1040 4.764,1041 1.256,1042 5.631,1043 3.201,1044 4.263,1045 4.875,1046 0.278,1047 6.454,1048 4.229,1049 5.975,1050 1,1051 7.185,1052 3.016,1053 3.761,1054 4.691,1056 7.357,1057 3.704,1058 7.288,1059 0.802,1060 8.843,1061 2.136,1062 5.849,1063 7.149,1064 0.05,1065 10.518,1066 5.777,1067 8.641,1068 0.256,1069 10.565,1070 2.07,1071 6.196,1072 7.819,1074 12.302,1075 6.098,1076 10.029,1077 -0.238,1078 12.332,1079 0.659,1080 7.734,1081 9.735,1082 0.008,1083 14.981,1084 7.623,1085 11.442,1086 -0.407,1087 14.129,1088 -0.576,1089 8.503,1090 10.828,1092 17.138,1093 8.365,1094 12.876,1095 -0.741,1096 15.949,1097 -1.049,1098 9.808,1099 12.513,1100 0.001,1101 19.655,1102 9.657,1103 3.245,1104 -0.896,1105 17.787,1106 -1.948,1107 10.789,1108 13.824,1110 21.972,1111 10.612,1112 2.609,1113 11.414,1114 19.639,1115 -2.26,1116 12.001,1117 15.41,1119 24.434,1120 11.808,1121 2.521,1122 8.482,1123 21.502,1124 4.587,1125 13.083,1126 16.83,1128 26.817,1129 12.866,1130 2.093,1131 7.336,1132 23.374,1133 3.541,1134 14.262,1135 18.375,1137 29.26,1138 14.027,1139 2.062,1140 6.275,1141 25.255,1142 3.427,1143 15.392,1144 19.848,1146 31.673,1147 15.135,1148 1.463,1149 5.771,1150 27.142,1151 2.884,1152 16.563,1153 21.377,1155 34.109,1156 16.286,1157 1.414,1158 3.384,1159 29.034,1160 2.792,1161 17.716,1162 22.876,1164 36.534,1165 17.416,1166 4431,1167 6255,1168 17.394,1169 28.864,1170 37.586,1171 37.638,1172 37.996,1173 37.437,1174 37.443,1175 50.348,1176 0.8,1177 107.488,1178 36.831,1179 5.604,1180 5.379,1181 6.645,1182 5.266,1183 5.245,1184 7.587,1185 0.8,1186 18.948,1187 5.18,1188 5.725,1189 1.503,1190 1.506,1191 1.52,1192 1.497,1193 1.498,1194 2.014,1195 0.032,1196 4.3,1197 1.473,1198 4.125,1199 4.154,1200 4.087,1201 4.055,1202 4.976,1203 4.06,1204 3.871,1205 3.906,1206 3.801,1207 3.807,1208 4.758,1209 3.801,1210 3.752,1211 3.799,1212 3.64,1213 3.67,1214 4.413,1215 3.657,1216 3.359,1217 3.425,1218 3.227,1219 3.233,1220 4.1,1221 3.224,1222 3.186,1223 3.26,1224 3.072,1225 3.027,1226 4.002,1227 3.025,1228 3.008,1229 3.1,1230 2.789,1231 2.844,1232 3.674,1233 2.818,1234 2.905,1235 2.984,1236 2.753,1237 2.757,1238 3.66,1239 2.75,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.601,1245 2.715,1246 0.186,1247 0.135,1248 0.274,1249 0.169,1250 0.13,1251 4.658,1252 0.183,1253 3.379,1254 0.016,1255 6.843,1256 0.457,1257 4.225,1258 0.127,1259 3.245,1260 4.587,1261 0.4,1262 11.414,1263 3.18,1264 2.082,1265 2.058,1266 2.164,1267 2.169,1268 1.436,1269 2.169,1270 1.873,1271 1.842,1272 2.001,1273 1.964,1274 1.19,1275 1.979,1276 1.772,1277 1.728,1278 1.968,1279 1.89,1280 1.056,1281 1.92,1282 1.359,1283 1.301,1284 1.601,1285 1.534,1286 0.773,1287 1.561,1288 1.176,1289 1.107,1290 1.465,1291 1.382,1292 0.723,1293 1.409,1294 1.04,1295 0.956,1296 1.352,1297 1.261,1298 0.484,1299 1.301,1300 0.904,1301 0.835,1302 1.181,1303 1.12,1304 0.29,1305 1.143,1306 0.886,1307 0.821,1308 1.164,1309 1.062,1310 0.218,1311 1.107,1312 3.932,1314 5.252,1316 6.792,1318 8.437,1320 10.139,1322 2.144,1328 4.738,1329 3.662,1340 26.784,1341 51.6,1342 132.424,1343 172.968,1344 198.968,1345 205.722,1346 205.722,1347 23.266,1348 7.354,1349 24.92,1350 24.92,1351 24,1352 12.475,1353 4.17,1354 3.248,1355 29.571,1356 59,1357 66,1358 0.241,1359 163.213,1360 273.3,1361 390,1362 14797,1364 14.941,1365 0.679,1366 0.586,1367 14.941,1368 12.894,1369 10.81,1370 0.432,1371 0.322,1372 8.021,1373 10.687,1374 7.786,1375 6.482,1376 10.81,1377 8.053,1378 9.69,1379 0.277,1380 0.175,1381 9.69,1382 6.131,1383 8.314,1384 0.173,1385 0.093,1386 8.314,1387 4.46,1388 7.261,1389 0.108,1390 0.05,1391 7.261,1392 3.346,1393 6.576,1394 0.07,1395 0.028,1396 6.576,1397 2.602,1398 0.357,1399 65.674,1400 0.24,1401 21.062,1402 0.727,1403 120,1404 247.978,1405 124.108,1406 254.761,1407 369.95,1408 242,1409 143,1410 290.07,1411 147.663,1412 300.036,1413 441.44,1414 285,1415 5.432}
{0 CHEMBL1084167,1 1.603,2 10.885,3 2.396,4 5.741,5 96.925,6 7.52,7 0.571,8 3.951,9 4.073,10 3.525,11 3.419,12 5.106,13 3.423,14 4.463,15 4.651,16 3.897,17 3.783,18 5.63,19 3.775,20 4.628,21 4.791,22 3.939,23 3.931,24 5.789,25 3.907,26 4.781,27 4.987,28 3.883,29 3.965,30 5.884,31 3.909,32 4.692,33 4.904,34 3.817,35 3.954,36 5.778,37 3.878,38 4.709,39 4.931,40 3.688,41 3.919,42 5.76,43 3.806,44 4.659,45 4.931,46 3.453,47 3.746,48 5.564,49 3.6,50 4.399,51 4.65,52 3.316,53 3.457,54 5.449,55 3.358,56 0.047,57 0.707,58 9.441,59 3.834,60 6.408,61 5.15,62 0.478,63 1.081,64 18.357,65 5.965,66 29.312,67 8.453,68 0.296,69 1.235,70 21.077,71 7.385,72 34.882,73 9.805,74 0.577,75 1.326,76 27.017,77 8.57,78 57.935,79 11.628,80 0.299,81 1.275,82 23.562,83 8.414,84 35.187,85 11.78,86 0.372,87 1.233,88 24.507,89 9.108,90 41.454,91 12.757,92 0.329,93 1.084,94 25.077,95 8.784,96 36.478,97 12.854,98 0.356,99 0.811,100 19.514,101 6.416,102 40.226,103 9.007,104 46,105 40,106 0.273,107 0.606,108 0.731,109 0.818,110 0.818,111 0.818,112 3.304,113 0.883,114 -3.21,115 -3.2,116 -3.07,121 40.4,122 1,126 3,144 7,145 1,146 1,148 1,153 1,155 1,160 1,161 1,163 1,176 6,179 3,180 5,182 1,183 2,185 2,187 5,189 2,192 4,197 1,200 2,203 3,205 1,206 9,211 1,213 1,214 2,216 3,219 7,224 1,227 5,232 3,234 2,237 2,239 7,241 1,243 1,244 1,249 2,251 5,256 3,258 2,264 2,268 2,269 4,272 1,277 2,281 1028,282 16.999,283 16.999,284 16.999,285 16.999,286 16.999,287 14.799,288 17.383,289 9.851,290 17.43,291 13.784,292 13.784,293 13.784,294 13.784,295 13.784,296 10.386,297 19.838,298 4.657,299 14.481,300 3.951,301 1.988,302 1.254,303 0.745,304 0.745,305 0.745,306 3.98,310 1,311 1,312 1,313 590,314 3.808,317 56.566,318 157.426,321 111.359,325 1.817,326 22.303,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 57,338 283,339 4.709,340 3.762,341 6.886,342 4.214,343 3.279,344 4.673,345 2.208,346 11.486,347 3.072,348 4.148,349 3.546,350 6.206,351 3.743,352 2.791,353 3.758,354 1.907,355 9.13,356 2.661,357 3.942,358 3.288,359 5.816,360 3.612,361 2.673,362 3.322,363 0.655,364 7.896,365 2.48,366 3.738,367 2.789,368 5.578,369 3.357,370 2.395,371 3.033,372 0.149,373 7.136,374 2.298,375 3.52,376 2.584,377 5.225,378 3.142,379 2.171,380 2.79,381 0.13,382 6.348,383 2.099,384 3.342,385 2.214,386 4.759,387 2.907,388 1.924,389 2.56,391 5.018,392 1.872,393 3.02,394 1.977,395 4.492,396 2.514,397 1.538,398 2.268,400 4.19,401 1.497,402 2.755,403 1.563,404 4.174,405 2.273,406 1.326,407 1.859,409 3.622,410 1.251,411 2.5,412 1.455,413 3.605,414 2.01,415 1.061,416 1.5,418 2.478,419 1,420 2.363,421 1.105,422 3.491,423 2,424 1,425 1.303,427 2.275,428 0.991,429 2.3,430 1,431 3.414,432 1.887,433 0.918,434 1.189,436 2.26,437 0.883,438 1.408,439 0.738,440 2.781,441 1.044,442 0.08,443 0.099,445 0.197,446 0.076,447 1.228,448 0.573,449 2.547,450 0.818,451 -0.15,452 -0.192,454 -0.376,455 -0.143,456 0.838,457 0.14,458 2.39,459 0.448,460 -0.509,461 -0.639,463 -1.269,464 -0.483,465 0.635,466 -0.176,467 2.3,468 0.157,469 -0.82,470 -1,472 -2,473 -0.786,474 12.1,475 0.465,476 0.809,477 0.031,478 34.75,479 1.337,480 17,481 0.654,482 17.75,483 0.683,484 19.15,485 0.737,486 28.4,487 0.604,488 27.732,489 1.067,490 7.277,491 0.28,492 5.086,493 0.196,494 0.22,496 0.388,501 0.788,502 1.626,503 0.764,504 1.239,505 0.582,506 1.028,507 0.659,508 0.866,509 0.711,510 0.734,511 0.452,512 0.713,513 1.259,514 1.258,515 1.076,516 1.126,517 1.039,518 1.069,519 1.374,520 0.95,521 1.126,522 0.887,523 1.162,524 0.954,525 0.878,526 1.069,527 1.026,528 1.071,529 0.861,530 1.065,531 0.732,532 1.08,533 1.083,534 1.198,535 0.917,536 1.211,537 0.592,538 0.957,539 0.887,540 1.065,541 0.54,542 1.041,543 1.009,544 0.88,545 0.918,546 0.958,547 1.046,548 0.941,549 6,550 0.177,551 3.333,552 2.076,553 1.806,554 1.056,555 0.651,556 0.343,557 0.271,558 0.19,559 7543,560 21884,561 1.992,562 44.7,564 16,565 1,567 1,568 3,572 1.689,573 1.814,574 3.4,575 -0.294,576 1,577 1,582 75.361,583 1.603,584 3.567,585 4.301,586 4.809,587 4.809,588 4.809,589 2.921,590 4.393,591 4.666,592 3.588,593 1166.25,594 8.081,595 14554.1,597 1,599 1,600 261.066,601 1.549,602 4.601,603 0.214,604 0.011,605 0.083,606 0.051,607 0.048,608 0.029,609 0.022,610 0.015,611 0.014,612 0.009,613 0.496,614 0.33,615 1,616 1.419,617 127.592,618 -0.045,619 -0.399,620 0.063,621 -0.181,622 -0.073,623 -0.064,624 0.279,625 0.285,626 0.219,627 0.229,628 0.176,629 0.218,630 -0.212,631 -0.149,632 -0.16,633 -0.122,634 -0.111,635 -0.126,636 -0.207,637 0.059,638 -0.142,639 0.082,640 -0.143,641 -0.007,642 -0.111,643 -0.02,644 -0.107,645 -0.061,646 -0.026,647 -0.073,648 0.023,649 -0.092,650 -0.154,651 -0.172,652 -0.074,653 -0.195,654 0.094,655 -0.069,656 0.091,657 -0.058,658 0.046,659 0.005,660 0.031,662 0.102,663 0.024,664 -0.004,665 0.063,666 2.085,667 4.626,668 0.577,669 26.041,670 1.009,671 1.131,672 1.979,673 3.916,674 0.657,675 3.367,676 3.714,677 3.97,678 4.234,679 4.477,680 4.585,681 4.745,682 4.875,683 4.883,684 4.905,685 6.465,686 0.632,687 353.44,688 3.367,689 4.92,690 5.771,691 6.661,692 7.54,693 8.436,694 9.328,695 10.23,696 11.129,697 12.035,698 8.5,705 2,706 1,708 1,714 1,715 8,720 4,721 1,722 16,737 1,741 47,743 18,744 1,745 28,747 49,748 19,749 13,750 2,751 4,756 3,757 4,763 1,772 15,773 4,777 2,782 2,786 2,789 1,790 1,793 21,794 5,795 1,796 7,799 1,802 4,803 1,808 0.667,809 3,822 1,828 1,829 2,832 1,843 1,859 2,864 4,868 26,877 1,878 1,881 1,893 6.4,896 2,898 1,901 14.333,902 9.817,903 5.667,904 2.624,907 3.362,908 1.459,909 0.97,910 5.181,911 10.692,912 3.664,913 4.301,914 4.899,915 5.539,916 6.122,917 6.526,918 7.009,919 7.472,920 7.751,921 8.085,922 1,923 41,924 9.554,926 3.952,927 0.026,929 7.872,931 17.952,933 14.114,936 2.372,937 61.667,940 1,941 235.422,942 136.092,943 24.321,945 61.29,948 136.092,949 296.712,950 24.321,951 34.014,952 21.135,953 75.381,954 58.609,955 25.8,956 18.534,957 223.651,959 235.422,960 160.412,961 61.29,964 235.422,965 61.29,968 38.047,969 120.466,970 1.899,972 235.422,973 85.61,974 136.092,977 235.422,978 26.696,979 115.705,980 18.011,981 61.29,982 235.422,983 85.61,984 136.092,986 0.59,987 0.335,988 0.172,989 0.099,990 19,991 10,992 0.082,993 4,994 1,995 1.133,996 3.691,997 216.12,998 0.133,999 15,1000 116.211,1005 18.264,1006 7.376,1007 3.855,1008 0.939,1009 82.425,1010 14.984,1015 3.12,1016 2.034,1017 18.011,1018 457.124,1019 38,1024 23.042,1028 -0.541,1031 47.4,1032 53.151,1034 0.289,1035 0.642,1036 0.774,1037 0.866,1038 0.866,1039 0.866,1040 4.905,1041 1.326,1042 5.784,1043 4.19,1044 4.394,1045 4.987,1046 2.786,1047 6.619,1048 4.296,1049 6.142,1050 1.061,1051 7.366,1052 3.622,1053 4.111,1054 4.934,1055 2.328,1056 7.582,1057 3.946,1058 7.468,1059 1,1060 9.047,1061 2.478,1062 6.014,1063 7.249,1064 3.937,1065 10.689,1066 5.798,1067 8.83,1068 0.918,1069 10.785,1070 2.275,1071 6.509,1072 8.015,1073 4.068,1074 12.485,1075 6.212,1076 10.224,1077 0.08,1078 12.56,1079 2.26,1080 7.935,1081 9.853,1082 5.286,1083 15.138,1084 7.592,1085 11.641,1086 -0.15,1087 14.361,1088 0.197,1089 8.783,1090 11.018,1091 5.691,1092 17.291,1093 8.355,1094 13.078,1095 -0.509,1096 16.181,1097 -0.376,1098 10.031,1099 12.667,1100 6.718,1101 19.793,1102 9.554,1103 3.279,1104 -0.82,1105 18.018,1106 -1.269,1107 11.047,1108 14.029,1109 7.273,1110 22.104,1111 10.488,1112 2.791,1113 11.486,1114 19.867,1115 -2,1116 12.231,1117 15.604,1118 8.196,1119 24.558,1120 11.616,1121 2.673,1122 9.13,1123 21.727,1124 4.673,1125 13.327,1126 17.06,1127 8.84,1128 26.938,1129 12.635,1130 2.395,1131 7.896,1132 23.596,1133 3.758,1134 14.493,1135 18.608,1136 9.705,1137 29.377,1138 13.741,1139 2.171,1140 7.136,1141 25.473,1142 3.322,1143 15.628,1144 20.108,1145 10.404,1146 31.788,1147 14.804,1148 1.924,1149 6.348,1150 27.356,1151 3.033,1152 16.793,1153 21.647,1154 11.236,1155 34.224,1156 15.906,1157 1.538,1158 5.018,1159 29.245,1160 2.79,1161 17.948,1162 23.169,1163 11.968,1164 36.65,1165 16.991,1166 7555,1167 12966,1168 17.918,1169 30.858,1170 42.921,1171 44.272,1172 44.432,1173 42.348,1174 42.311,1175 56.71,1176 10.098,1177 124.069,1178 40.363,1179 5.533,1180 5.762,1181 6.405,1182 5.278,1183 5.279,1184 7.673,1185 3.912,1186 19.009,1187 5.072,1188 16.378,1189 1.533,1190 1.581,1191 1.587,1192 1.512,1193 1.511,1194 2.025,1195 0.361,1196 4.431,1197 1.442,1198 4.186,1199 4.236,1200 4.156,1201 4.033,1202 7.434,1203 4.057,1204 3.871,1205 3.894,1206 3.82,1207 3.78,1208 7.429,1209 3.785,1210 3.629,1211 3.69,1212 3.548,1213 3.375,1214 4.997,1215 3.406,1216 3.564,1217 3.621,1218 3.472,1219 3.315,1220 4.776,1221 3.344,1222 3.392,1223 3.45,1224 3.28,1225 3.237,1226 4.343,1227 3.241,1228 3.105,1229 3.187,1230 2.948,1231 2.9,1232 4.221,1233 2.897,1234 3.017,1235 3.038,1236 2.891,1237 2.743,1238 4.028,1239 2.774,1240 2.874,1241 3.009,1242 2.687,1243 2.735,1244 3.976,1245 2.715,1246 0.168,1247 0.134,1248 0.246,1249 0.151,1250 0.117,1251 4.709,1252 0.167,1253 3.762,1254 0.079,1255 6.886,1256 0.41,1257 4.214,1258 0.11,1259 3.279,1260 4.673,1261 2.208,1262 11.486,1263 3.072,1264 1.92,1265 1.893,1266 2.012,1267 2.096,1268 1.134,1269 2.071,1270 1.912,1271 1.874,1272 2.002,1273 2.013,1274 1.112,1275 2.01,1276 1.542,1277 1.484,1278 1.785,1279 1.828,1280 0.836,1281 1.812,1282 1.491,1283 1.42,1284 1.724,1285 1.741,1286 0.787,1287 1.736,1288 1.417,1289 1.36,1290 1.67,1291 1.653,1292 0.708,1293 1.658,1294 1.126,1295 1.053,1296 1.417,1297 1.338,1298 0.469,1299 1.357,1300 0.934,1301 0.856,1302 1.377,1303 1.239,1304 0.459,1305 1.308,1306 0.886,1307 0.821,1308 1.181,1309 1.209,1310 0.218,1311 1.16,1312 4.043,1314 5.38,1315 2.398,1316 6.901,1317 4.844,1318 8.508,1319 7.05,1320 10.164,1322 6.714,1329 2.83,1330 5.246,1333 1.373,1340 29.708,1341 75.361,1342 167.64,1343 202.13,1344 226.046,1345 226.046,1346 226.046,1347 41.763,1348 7.33,1349 66.93,1350 66.93,1351 17,1352 12.555,1353 4.248,1354 3.459,1355 44.47,1356 99,1357 100,1358 0.223,1359 185.128,1360 315.41,1361 443.472,1362 14003,1364 18.845,1365 0.725,1366 0.586,1367 18.845,1368 15.238,1369 12.363,1370 0.442,1371 0.294,1372 8.077,1373 11.73,1374 7.752,1375 6.541,1376 12.363,1377 8.244,1378 11.645,1379 0.291,1380 0.158,1381 11.645,1382 6.302,1383 9.277,1384 0.178,1385 0.079,1386 9.277,1387 4.113,1388 7.43,1389 0.109,1390 0.041,1391 7.43,1392 2.797,1393 6.154,1394 0.071,1395 0.022,1396 6.154,1397 1.921,1398 0.349,1399 78.461,1400 0.236,1401 25.115,1402 0.61,1403 136,1404 425.163,1405 154.043,1406 406.179,1407 553.14,1408 378,1409 160,1410 414.32,1411 177.828,1412 417.604,1413 606.47,1414 389,1415 6.155}
{0 CHEMBL1084210,1 1.353,2 9.609,3 4.035,4 16.283,5 96.207,6 7.08,7 0.654,8 3.859,9 3.991,10 3.408,11 3.437,12 4.869,13 3.402,14 4.401,15 4.59,16 3.736,17 3.834,18 5.359,19 3.768,20 4.644,21 4.887,22 3.708,23 3.925,24 5.482,25 3.816,26 4.596,27 4.853,28 3.607,29 3.819,30 5.477,31 3.709,32 4.509,33 4.755,34 3.473,35 3.757,36 5.373,37 3.634,38 4.457,39 4.726,40 3.35,41 3.652,42 5.275,43 3.518,44 4.328,45 4.596,46 3.275,47 3.555,48 5.144,49 3.425,50 4.246,51 4.515,52 3.218,53 3.477,54 5.054,55 3.351,56 0.04,57 0.657,58 9.23,59 3.758,60 6.571,61 5.294,62 0.219,63 1.094,64 17.131,65 6.424,66 17.182,67 9.149,68 0.161,69 1.284,70 23.02,71 8.396,72 17.858,73 12.344,74 0.253,75 1.231,76 22.443,77 7.46,78 25.292,79 11.115,80 0.174,81 1.12,82 20.238,83 6.991,84 21.99,85 10.351,86 0.173,87 1.035,88 19.66,89 6.703,90 20.28,91 10.008,92 0.131,93 0.899,94 17.184,95 6.218,96 17.457,97 9.195,98 0.113,99 0.824,100 15.809,101 5.796,102 15.753,103 8.563,105 35,106 0.235,107 0.563,108 0.717,109 0.798,110 0.836,111 0.852,112 3.188,113 0.944,114 -5.34,115 -5.22,116 -4.88,121 44.2,123 2,127 3,144 8,145 3,147 1,149 1,152 1,176 12,179 3,180 4,183 1,185 2,187 14,197 2,200 12,206 6,209 2,211 3,214 7,219 2,224 3,227 4,232 5,237 3,239 5,244 7,251 3,256 7,264 3,269 6,277 4,281 669,282 16.206,283 16.206,284 16.206,285 16.206,286 16.206,287 14.221,288 19.391,289 9.836,290 16.499,291 12.886,292 12.886,293 12.886,294 12.886,295 12.886,296 9.937,297 31.669,298 4.676,299 13.38,300 4.073,301 2.18,302 1.291,303 0.826,304 0.605,305 0.512,306 3.894,310 1,311 1,312 1,313 495,314 2.236,317 58.25,318 181.906,322 96.162,325 1.399,326 10.286,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 48,338 221,339 4.494,340 3.147,341 6.506,342 4.031,343 3.033,344 4.43,345 0.8,346 10.196,347 3.027,348 4.172,349 3.105,350 6.171,351 3.81,352 2.897,353 3.728,354 0.657,355 9.181,356 2.645,357 3.634,358 2.603,359 5.342,360 3.349,361 2.409,362 2.928,364 6.91,365 2.265,366 3.481,367 2.24,368 5.17,369 3.08,370 2.089,371 2.799,373 6.178,374 2.068,375 3.118,376 1.823,377 4.41,378 2.678,379 1.732,380 2.427,382 4.403,383 1.636,384 2.957,385 1.618,386 4.164,387 2.618,388 1.618,389 2.046,391 3.796,392 1.618,393 2.77,394 1.324,395 3.601,396 2.277,397 1.281,398 1.903,400 2.858,401 1.277,402 2.645,403 1.264,404 3.516,405 2.194,406 1.239,407 1.7,409 2.689,410 1.179,411 2.404,412 1.108,413 3.391,414 1.979,415 1,416 1.367,418 2.299,419 0.977,420 1.922,421 0.892,422 3.246,423 1.74,424 0.793,425 0.878,427 1.911,428 0.749,429 1.803,430 0.744,431 3.051,432 1.591,433 0.618,434 0.654,436 1.372,437 0.6,438 1.618,439 0.645,440 3,441 1.473,442 0.522,443 0.618,445 1.226,446 0.495,447 1.092,448 -0.106,449 2.446,450 0.691,451 -0.283,452 -0.37,454 -0.709,455 -0.276,456 0.882,457 -0.54,458 2.27,459 0.382,460 -0.618,461 -0.838,463 -1.478,464 -0.605,465 0.748,466 -0.618,467 2.248,468 0.304,469 -0.642,470 -0.927,472 -1.532,473 -0.618,474 11.1,475 0.483,476 0.359,477 0.016,478 32.25,479 1.402,480 17,481 0.739,482 15.25,483 0.663,484 15.756,485 0.685,486 23.7,487 0.551,488 20.034,489 0.871,490 6.187,491 0.269,492 5.212,493 0.227,496 0.261,501 0.954,502 1.334,503 0.822,504 1.049,505 0.798,506 0.945,507 0.96,508 0.956,509 0.981,510 0.975,511 0.771,512 0.979,513 1.054,514 1.123,515 0.968,516 1.023,517 0.9,518 0.993,519 1.324,520 0.958,521 1.049,522 0.922,523 1.449,524 0.952,525 1.388,526 1.094,527 1.174,528 1.07,529 1.444,530 1.095,531 1.314,532 0.989,533 1.072,534 0.958,535 1.16,536 0.985,537 1.017,538 0.949,539 0.926,540 0.911,541 0.878,542 0.91,543 0.913,544 0.951,545 0.855,546 0.888,547 0.864,548 0.87,549 3,550 0.032,551 2.222,552 0.84,553 0.828,554 0.396,555 0.183,556 0.147,557 0.141,558 0.086,559 6387,560 13269,561 2.223,562 46.5,564 14,566 1,567 1,569 4,572 1.654,573 2.19,574 3.272,575 -0.369,577 1,582 58.18,583 1.353,584 3.246,585 4.135,586 4.6,587 4.822,588 4.915,589 2.666,590 4.176,591 4.501,592 3.413,593 863.372,594 7.731,595 9965.88,597 1,599 1,600 233.329,601 0.828,602 4.498,603 0.115,604 0.002,605 0.063,606 0.025,607 0.029,608 0.016,609 0.008,610 0.007,611 0.007,612 0.005,613 0.278,614 0.33,615 1,617 108.187,618 0.016,619 -0.188,620 0.074,621 -0.045,622 0.074,623 0.008,624 0.235,625 0.159,626 -0.036,627 -0.013,628 0.176,629 -0.044,630 -0.039,631 -0.125,632 0.004,633 -0.051,634 0.045,635 -0.025,636 -0.028,637 0.073,638 -0.048,639 0.009,640 -0.176,641 -0.016,642 -0.221,643 -0.072,644 -0.193,645 -0.122,646 -0.293,647 -0.149,648 -0.166,649 -0.002,650 -0.074,651 -0.01,652 -0.115,653 -0.029,654 -0.043,655 0.008,656 0.062,657 0.064,658 0.125,659 0.072,660 0.018,661 -0.005,662 0.132,663 0.094,664 0.134,665 0.119,666 0.828,667 1.654,668 0.913,669 16.439,670 0.988,671 1.124,672 4.105,673 16.853,674 0.677,675 3.296,676 3.584,677 3.871,678 4.127,679 4.29,680 4.277,681 4.369,682 4.443,683 4.533,684 4.511,685 5.887,686 0.635,687 304.43,688 3.296,689 4.812,690 5.659,691 6.521,692 7.38,693 8.245,694 9.107,695 9.972,696 10.836,697 11.702,698 9.3,703 1,704 1,708 2,714 2,715 9,716 2,720 3,722 17,734 1,736 1,741 43,743 17,744 2,745 26,747 46,748 19,749 14,750 3,751 7,756 4,757 5,767 2,770 2,772 14,773 5,790 1,793 20,794 4,795 1,796 4,802 4,808 0.75,823 1,825 1,828 1,829 3,833 1,859 3,868 23,876 5,877 1,881 1,901 10.5,902 7.6,903 5.083,904 2.737,907 3.436,908 1.476,909 1.033,910 4.015,911 10.662,912 3.57,913 4.159,914 4.769,915 5.353,916 5.892,917 6.049,918 6.402,919 6.732,920 7.111,921 7.097,922 1,923 33,924 8.492,926 3.571,927 0.026,929 7.428,931 16.814,933 14.03,936 1.928,937 44.333,938 0.001,940 1,941 223.651,942 108.802,943 54.706,948 108.802,949 223.651,950 54.706,952 11.386,953 75.81,954 63.353,955 20.503,956 4.227,957 211.88,959 223.651,960 163.508,964 176.567,965 47.084,968 22.333,969 89.594,970 51.582,972 223.651,973 54.706,974 108.802,977 223.651,978 23.945,979 87.982,980 18.011,981 33.571,982 223.651,983 54.706,984 108.802,986 0.569,987 0.338,988 0.192,989 0.097,990 18,991 6,992 0.087,993 4,994 1,995 1.095,996 3.71,997 184.183,998 0.095,999 21,1000 98.042,1005 14.316,1006 6.451,1007 3.094,1008 2.559,1009 54.706,1010 18.671,1011 9.055,1015 3.004,1017 18.011,1018 387.159,1019 34.5,1031 42.476,1032 48.315,1034 0.249,1035 0.598,1036 0.762,1037 0.848,1038 0.889,1039 0.906,1040 4.773,1041 1.239,1042 5.602,1043 2.858,1044 4.263,1045 4.844,1046 1.038,1047 6.372,1048 4.19,1049 5.946,1050 1,1051 7.124,1052 2.689,1053 3.611,1054 4.477,1055 0.325,1056 7.182,1057 3.485,1058 7.23,1059 0.793,1060 8.75,1061 2.299,1062 5.802,1063 7.048,1064 0.607,1065 10.293,1066 5.654,1067 8.555,1068 0.618,1069 10.443,1070 1.911,1071 6.066,1072 7.603,1073 0.268,1074 11.996,1075 5.871,1076 9.917,1077 0.522,1078 12.18,1079 1.372,1080 7.629,1081 9.578,1082 0.359,1083 14.576,1084 7.416,1085 11.305,1086 -0.283,1087 13.947,1088 1.226,1089 8.326,1090 10.589,1091 0.188,1092 16.627,1093 8.081,1094 12.713,1095 -0.618,1096 15.735,1097 -0.709,1098 9.621,1099 12.297,1100 0.214,1101 19.029,1102 9.359,1103 3.033,1104 -0.642,1105 17.538,1106 -1.478,1107 10.527,1108 13.542,1109 0.125,1110 21.223,1111 10.247,1112 2.897,1113 10.196,1114 19.352,1115 -1.532,1116 11.704,1117 15.125,1118 0.129,1119 23.562,1120 11.411,1121 2.409,1122 9.181,1123 21.176,1124 4.43,1125 12.709,1126 16.489,1127 0.082,1128 25.816,1129 12.406,1130 2.089,1131 6.91,1132 23.005,1133 3.728,1134 13.837,1135 18.015,1136 0.079,1137 28.132,1138 13.525,1139 1.732,1140 6.178,1141 24.84,1142 2.928,1143 14.888,1144 19.439,1145 0.054,1146 30.415,1147 14.572,1148 1.618,1149 4.403,1150 26.68,1151 2.799,1152 15.995,1153 20.939,1154 0.048,1155 32.724,1156 15.675,1157 1.281,1158 3.796,1159 28.523,1160 2.427,1161 17.069,1162 22.393,1163 0.035,1164 35.019,1165 16.748,1166 5884,1167 8594,1168 18.375,1169 29.114,1170 38.19,1171 38.553,1172 38.519,1173 38.472,1174 38.46,1175 50.955,1176 2.915,1177 106.041,1178 37.074,1179 5.392,1180 5.147,1181 6.195,1182 5.106,1183 5.033,1184 7.43,1185 1.457,1186 16.978,1187 5.027,1189 1.469,1190 1.483,1191 1.481,1192 1.48,1193 1.479,1194 1.96,1195 0.112,1196 4.078,1197 1.426,1198 4.095,1199 4.119,1200 4.046,1201 4.054,1202 5.004,1203 4.049,1204 3.918,1205 3.98,1206 3.858,1207 3.736,1208 4.887,1209 3.756,1210 3.705,1211 3.77,1212 3.587,1213 3.554,1214 4.354,1215 3.555,1216 3.492,1217 3.541,1218 3.388,1219 3.407,1220 4.266,1221 3.397,1222 3.259,1223 3.332,1224 3.133,1225 3.112,1226 4.136,1227 3.107,1228 2.933,1229 3.003,1230 2.824,1231 2.756,1232 3.851,1233 2.763,1234 2.869,1235 2.979,1236 2.713,1237 2.671,1238 3.722,1239 2.66,1240 2.853,1241 2.939,1242 2.583,1243 2.654,1244 3.474,1245 2.635,1246 0.173,1247 0.121,1248 0.25,1249 0.155,1250 0.117,1251 4.494,1252 0.17,1253 3.147,1254 0.031,1255 6.506,1256 0.392,1257 4.031,1258 0.116,1259 3.033,1260 4.43,1261 0.8,1262 10.196,1263 3.027,1264 2.081,1265 2.062,1266 2.166,1267 2.137,1268 1.324,1269 2.148,1270 1.766,1271 1.712,1272 1.864,1273 1.976,1274 1.211,1275 1.946,1276 1.577,1277 1.507,1278 1.86,1279 1.751,1280 1.002,1281 1.793,1282 1.513,1283 1.469,1284 1.7,1285 1.673,1286 0.869,1287 1.683,1288 1.385,1289 1.308,1290 1.626,1291 1.588,1292 0.716,1293 1.608,1294 1.234,1295 1.171,1296 1.478,1297 1.432,1298 0.586,1299 1.452,1300 0.904,1301 0.83,1302 1.173,1303 1.102,1304 0.248,1305 1.128,1306 0.688,1307 0.636,1308 0.948,1309 0.851,1310 0.094,1311 0.879,1312 3.97,1314 5.263,1315 2.398,1316 6.76,1317 4.443,1318 8.353,1319 6.293,1320 9.993,1328 5.353,1329 3.439,1333 2.253,1340 27.3,1341 58.18,1342 139.581,1343 177.82,1344 197.82,1345 207.329,1346 211.329,1347 23.464,1348 7.226,1349 41.05,1350 41.05,1351 23,1352 12.248,1353 4.17,1354 3.248,1355 31.961,1356 83,1357 64,1358 0.189,1359 167.209,1360 278,1361 399.751,1362 14143,1364 15.485,1365 0.673,1366 0.568,1367 15.485,1368 13.073,1369 11.399,1370 0.438,1371 0.315,1372 8.106,1373 11.105,1374 7.95,1375 6.587,1376 11.399,1377 8.186,1378 9.814,1379 0.28,1380 0.169,1381 9.814,1382 5.928,1383 8.559,1384 0.182,1385 0.093,1386 8.559,1387 4.372,1388 7.332,1389 0.12,1390 0.052,1391 7.332,1392 3.149,1393 5.668,1394 0.079,1395 0.026,1396 5.668,1397 1.879,1398 0.298,1399 70.285,1400 0.233,1401 22.706,1402 0.512,1403 122,1404 285.268,1405 130.132,1406 286.062,1407 408.95,1408 272,1409 143,1410 314.789,1411 151.659,1412 321.643,1413 471.56,1414 305,1415 5.26}
{0 CHEMBL1084211,1 1.479,2 10.25,3 3.262,4 10.64,5 97.742,6 7.282,7 0.63,8 3.893,9 4.017,10 3.461,11 3.434,12 4.931,13 3.416,14 4.435,15 4.614,16 3.778,17 3.814,18 5.433,19 3.771,20 4.656,21 4.877,22 3.794,23 3.943,24 5.545,25 3.858,26 4.649,27 4.892,28 3.659,29 3.882,30 5.533,31 3.77,32 4.615,33 4.875,34 3.567,35 3.797,36 5.499,37 3.676,38 4.488,39 4.747,40 3.439,41 3.675,42 5.339,43 3.56,44 4.381,45 4.638,46 3.382,47 3.58,48 5.251,49 3.471,50 4.299,51 4.559,52 3.279,53 3.501,54 5.129,55 3.389,56 0.023,57 0.669,58 9.234,59 3.832,60 6.2,61 5.187,62 0.271,63 1.088,64 17.758,65 6.37,66 20.759,67 8.611,68 0.262,69 1.286,70 23.126,71 8.12,72 22.146,73 11.619,74 0.24,75 1.29,76 23.125,77 7.915,78 25.261,79 11.657,80 0.301,81 1.196,82 23.031,83 7.662,84 30.613,85 11.467,86 0.178,87 1.048,88 20.187,89 6.797,90 21.943,91 10.059,92 0.206,93 0.925,94 18.249,95 6.323,96 21.719,97 9.26,98 0.151,99 0.845,100 16.865,101 5.954,102 18.42,103 8.651,105 36,106 0.255,107 0.574,108 0.724,109 0.803,110 0.84,111 0.856,112 3.228,113 0.918,114 -4.55,115 -4.47,116 -4.21,121 43.2,127 5,144 8,145 3,147 1,149 1,152 1,176 11,179 3,180 2,183 1,185 2,187 14,191 1,197 2,200 12,206 2,209 2,211 3,214 7,218 2,219 2,224 3,227 4,232 5,237 1,239 3,244 8,247 1,251 3,256 7,264 1,269 7,281 760,282 16.913,283 16.913,284 16.913,285 16.913,286 16.913,287 14.928,288 20.167,289 10.336,290 17.366,291 13.386,292 13.386,293 13.386,294 13.386,295 13.386,296 10.437,297 33.21,298 4.926,299 14.103,300 3.981,301 2.131,302 1.262,303 0.807,304 0.591,305 0.5,306 3.937,310 1,311 1,312 1,313 548,314 2.236,318 263.882,322 101.283,325 1.5,326 13.646,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 51,338 246,339 4.494,340 3.151,341 6.506,342 4.031,343 3.033,344 4.43,345 0.86,346 10.196,347 3.027,348 4.169,349 3.109,350 6.168,351 3.801,352 2.89,353 3.727,354 0.8,355 9.174,356 2.63,357 3.627,358 2.622,359 5.341,360 3.337,361 2.402,362 2.927,363 0.657,364 6.905,365 2.247,366 3.479,367 2.312,368 5.169,369 3.077,370 2.088,371 2.794,373 6.177,374 2.061,375 3.118,376 2.181,377 4.395,378 2.667,379 1.769,380 2.427,382 4.375,383 1.618,384 2.961,385 1.618,386 4.163,387 2.618,388 1.618,389 2.043,391 3.797,392 1.584,393 2.77,394 1.581,395 3.603,396 2.279,397 1.319,398 1.903,400 2.889,401 1.277,402 2.665,403 1.289,404 3.553,405 2.221,406 1.269,407 1.723,409 2.813,410 1.193,411 2.404,412 1.256,413 3.43,414 1.979,415 1,416 1.367,418 2.394,419 0.978,420 2.193,421 1.166,422 3.39,423 1.952,424 1,425 1.163,427 2.298,428 0.946,429 2,430 1.097,431 3.247,432 1.896,433 1,434 1,436 2.136,437 0.89,438 1.805,439 0.647,440 3.058,441 1.474,442 0.523,443 0.655,445 1.229,446 0.496,447 1.093,448 -0.106,449 2.455,450 0.692,451 -0.282,452 -0.369,454 -0.704,455 -0.274,456 0.882,457 -0.335,458 2.398,459 0.425,460 -0.506,461 -0.577,463 -1.197,464 -0.469,465 0.792,466 -0.36,467 2.25,468 0.382,469 -0.618,470 -0.927,472 -1.478,473 -0.618,474 11.433,475 0.476,476 0.359,477 0.015,478 33.25,479 1.385,480 17,481 0.708,482 16.25,483 0.677,484 16.377,485 0.682,486 25.167,487 0.572,488 21.72,489 0.905,490 6.685,491 0.279,492 5.214,493 0.217,496 0.254,501 0.921,502 1.392,503 0.79,504 1.109,505 0.83,506 0.96,507 1.339,508 0.913,509 1.021,510 0.909,511 1.098,512 0.93,513 1.101,514 1.084,515 1.006,516 0.963,517 1.035,518 0.973,519 0.865,520 1.067,521 1.107,522 1.07,523 1.152,524 1.097,525 0.802,526 1.001,527 1.026,528 0.978,529 1.032,530 1.009,531 0.966,532 1.015,533 1.021,534 0.985,535 0.973,536 0.992,537 0.87,538 0.948,539 0.909,540 0.91,541 0.816,542 0.91,543 0.956,544 0.945,545 0.887,546 0.885,547 0.935,548 0.88,549 3,550 0.037,551 2.222,552 1,553 0.769,554 0.465,555 0.203,556 0.149,557 0.156,558 0.09,559 7157,560 16659,561 2.213,562 45.5,564 18,566 1,567 1,572 1.666,573 2.182,574 3.349,575 -0.342,576 1,577 1,582 65.066,583 1.479,584 3.329,585 4.198,586 4.652,587 4.869,588 4.959,589 2.721,590 3.887,591 4.562,592 3.482,593 961.054,594 7.854,595 11466.9,597 1,599 1,600 240.215,601 0.811,602 4.56,603 0.111,604 0.002,605 0.062,606 0.028,607 0.026,608 0.017,609 0.008,610 0.006,611 0.007,612 0.005,613 0.273,614 0.33,615 1,617 114.848,618 -0.012,619 -0.234,620 0.077,621 -0.089,622 0.011,623 -0.01,624 -0.019,625 0.197,626 -0.069,627 0.051,628 -0.028,629 -0.012,630 -0.063,631 -0.059,632 -0.043,633 0.008,634 -0.075,635 -0.015,636 -0.044,637 -0.024,638 -0.148,639 -0.123,640 -0.162,641 -0.143,642 0.082,643 -0.001,644 -0.044,645 -0.03,646 -0.012,647 -0.045,648 -0.09,649 -0.023,650 -0.039,651 -0.03,652 -0.052,653 -0.023,654 0.065,655 0.016,656 0.079,657 0.061,658 0.16,659 0.072,660 -0.046,661 -0.003,662 0.101,663 0.098,664 0.036,665 0.114,666 0.902,667 1.885,668 0.917,669 18.306,670 0.996,671 1.126,672 3.318,673 11.007,674 0.672,675 3.332,676 3.611,677 3.892,678 4.143,679 4.369,680 4.304,681 4.419,682 4.489,683 4.595,684 4.575,685 6.122,686 0.637,687 320.43,688 3.332,689 4.844,690 5.687,691 6.544,692 7.399,693 8.261,694 9.121,695 9.984,696 10.845,697 11.709,698 9.1,703 1,704 1,708 2,714 2,715 9,716 2,720 3,722 17,734 1,736 1,741 44,743 17,744 2,745 27,747 47,748 19,749 14,750 3,751 7,756 4,757 5,772 14,773 5,789 1,790 1,793 20,794 5,795 1,796 5,802 4,808 0.75,809 1,823 1,829 4,833 1,858 1,859 3,868 24,876 5,877 1,878 1,881 1,893 2.3,897 1,901 11,902 7.767,903 5.333,904 2.654,907 3.443,908 1.469,909 1.018,910 4.475,911 10.785,912 3.597,913 4.174,914 4.777,915 5.358,916 5.909,917 6.054,918 6.412,919 6.743,920 7.126,921 7.117,922 0.857,923 36,924 8.85,926 3.699,927 0.026,929 7.493,931 17.348,933 14.236,936 1.993,937 47.833,940 1,941 223.651,942 112.918,943 54.706,945 11,948 112.918,949 234.651,950 54.706,952 15.502,953 75.81,954 74.353,955 20.503,956 4.227,957 211.88,959 223.651,960 167.624,961 11,964 223.651,966 11,968 26.448,969 89.594,970 51.582,972 223.651,973 65.706,974 112.918,977 223.651,978 28.06,979 87.982,980 18.011,981 44.571,982 223.651,983 65.706,984 112.918,986 0.566,987 0.335,988 0.19,989 0.104,990 18,991 6,992 0.085,993 4,994 1,995 1.091,996 3.795,997 194.314,998 0.091,999 22,1000 104.039,1005 15.218,1006 7.058,1007 3.465,1008 2.531,1009 65.706,1010 18.549,1011 9.027,1015 2.875,1017 18.011,1018 402.275,1019 35.5,1031 43.803,1032 49.524,1034 0.271,1035 0.61,1036 0.769,1037 0.852,1038 0.892,1039 0.908,1040 4.798,1041 1.269,1042 5.624,1043 2.889,1044 4.29,1045 4.86,1046 1.459,1047 6.385,1048 4.197,1049 5.965,1050 1,1051 7.14,1052 2.813,1053 3.611,1054 4.477,1055 0.325,1056 7.182,1057 3.485,1058 7.244,1059 1,1060 8.761,1061 2.394,1062 5.82,1063 7.053,1064 1.074,1065 10.297,1066 5.647,1067 8.563,1068 1,1069 10.45,1070 2.298,1071 6.043,1072 7.598,1073 0.268,1074 11.992,1075 5.847,1076 9.921,1077 0.523,1078 12.184,1079 2.136,1080 7.639,1081 9.579,1082 0.807,1083 14.576,1084 7.404,1085 11.306,1086 -0.282,1087 13.949,1088 1.229,1089 8.306,1090 10.587,1091 0.188,1092 16.625,1093 8.06,1094 12.713,1095 -0.506,1096 15.735,1097 -0.704,1098 9.622,1099 12.297,1100 0.608,1101 19.028,1102 9.346,1103 3.033,1104 -0.618,1105 17.538,1106 -1.197,1107 10.51,1108 13.541,1109 0.125,1110 21.221,1111 10.229,1112 2.89,1113 10.196,1114 19.351,1115 -1.478,1116 11.7,1117 15.125,1118 0.458,1119 23.56,1120 11.397,1121 2.402,1122 9.174,1123 21.174,1124 4.43,1125 12.695,1126 16.489,1127 0.082,1128 25.814,1129 12.391,1130 2.088,1131 6.905,1132 23.003,1133 3.727,1134 13.828,1135 18.015,1136 0.343,1137 28.13,1138 13.512,1139 1.769,1140 6.177,1141 24.838,1142 2.927,1143 14.875,1144 19.438,1145 0.054,1146 30.413,1147 14.56,1148 1.618,1149 4.375,1150 26.678,1151 2.794,1152 15.984,1153 20.939,1154 0.256,1155 32.722,1156 15.663,1157 1.319,1158 3.797,1159 28.521,1160 2.427,1161 17.056,1162 22.392,1163 0.035,1164 35.017,1165 16.737,1166 6615,1167 10197,1168 19.068,1169 29.569,1170 39.816,1171 40.146,1172 40.045,1173 39.821,1174 39.824,1175 52.317,1176 4.635,1177 108.769,1178 37.892,1179 5.494,1180 5.151,1181 6.308,1182 5.134,1183 5.033,1184 7.43,1185 1.72,1186 16.978,1187 5.027,1189 1.475,1190 1.487,1191 1.483,1192 1.475,1193 1.475,1194 1.938,1195 0.172,1196 4.028,1197 1.403,1198 4.094,1199 4.118,1200 4.046,1201 4.054,1202 5.006,1203 4.049,1204 3.897,1205 3.956,1206 3.847,1207 3.699,1208 4.887,1209 3.728,1210 3.674,1211 3.73,1212 3.561,1213 3.475,1214 4.601,1215 3.486,1216 3.491,1217 3.539,1218 3.388,1219 3.403,1220 4.349,1221 3.394,1222 3.259,1223 3.332,1224 3.135,1225 3.111,1226 4.156,1227 3.106,1228 3.111,1229 3.206,1230 2.866,1231 2.941,1232 3.9,1233 2.91,1234 2.948,1235 3.01,1236 2.848,1237 2.752,1238 3.823,1239 2.762,1240 2.883,1241 2.956,1242 2.752,1243 2.642,1244 3.553,1245 2.663,1246 0.166,1247 0.117,1248 0.241,1249 0.149,1250 0.112,1251 4.494,1252 0.164,1253 3.151,1254 0.032,1255 6.506,1256 0.378,1257 4.031,1258 0.112,1259 3.033,1260 4.43,1261 0.86,1262 10.196,1263 3.027,1264 2.081,1265 2.062,1266 2.166,1267 2.138,1268 1.325,1269 2.148,1270 1.799,1271 1.743,1272 1.942,1273 2.024,1274 1.198,1275 2.001,1276 1.619,1277 1.564,1278 1.802,1279 1.843,1280 0.881,1281 1.835,1282 1.502,1283 1.46,1284 1.682,1285 1.629,1286 0.825,1287 1.65,1288 1.245,1289 1.183,1290 1.513,1291 1.449,1292 0.728,1293 1.465,1294 1.153,1295 1.064,1296 1.484,1297 1.376,1298 0.589,1299 1.429,1300 0.911,1301 0.84,1302 1.174,1303 1.144,1304 0.266,1305 1.143,1306 0.814,1307 0.746,1308 1.102,1309 1.094,1310 0.245,1311 1.112,1312 4.007,1314 5.293,1316 6.797,1318 8.395,1320 10.038,1328 3.883,1329 3.424,1330 5.385,1333 2.159,1340 28.015,1341 65.066,1342 146.466,1343 184.705,1344 204.705,1345 214.215,1346 218.215,1347 25.282,1348 7.342,1349 50.28,1350 50.28,1351 24,1352 12.256,1353 4.17,1354 3.248,1355 33.969,1356 90,1357 78,1358 0.185,1359 171.206,1360 286.79,1361 409.502,1362 16623,1364 16.192,1365 0.675,1366 0.562,1367 16.192,1368 13.482,1369 11.899,1370 0.441,1371 0.306,1372 8.144,1373 11.46,1374 8.001,1375 6.585,1376 11.899,1377 8.263,1378 10.168,1379 0.282,1380 0.162,1381 10.168,1382 5.833,1383 8.809,1384 0.184,1385 0.089,1386 8.809,1387 4.277,1388 7.508,1389 0.121,1390 0.048,1391 7.508,1392 2.995,1393 6.281,1394 0.081,1395 0.026,1396 6.281,1397 2.046,1398 0.292,1399 74.285,1400 0.229,1401 23.599,1402 0.498,1403 126,1404 333.004,1405 137.01,1406 323.209,1407 454.07,1408 308,1409 147,1410 338.425,1411 158.428,1412 343.427,1413 503.8,1414 325,1415 4.833}
{0 CHEMBL1084212,1 1.479,2 10.25,3 4.007,4 16.053,5 103.916,6 7.648,7 0.63,8 3.883,9 4.007,10 3.542,11 3.508,12 4.894,13 3.447,14 4.418,15 4.594,16 3.847,17 3.903,18 5.38,19 3.803,20 4.644,21 4.864,22 3.838,23 3.991,24 5.505,25 3.876,26 4.646,27 4.89,28 3.693,29 3.906,30 5.522,31 3.781,32 4.61,33 4.869,34 3.651,35 3.83,36 5.458,37 3.694,38 4.482,39 4.742,40 3.522,41 3.734,42 5.309,43 3.587,44 4.371,45 4.628,46 3.479,47 3.645,48 5.201,49 3.5,50 4.289,51 4.549,52 3.336,53 3.563,54 5.094,55 3.413,56 0.036,57 0.673,58 9.427,59 4.064,60 6.433,61 5.335,62 0.23,63 1.15,64 20.814,65 7.558,66 17.657,67 9.437,68 0.178,69 1.351,70 26.236,71 9.203,72 17.627,73 12.245,74 0.247,75 1.327,76 23.12,77 8.289,78 24.402,79 11.703,80 0.221,81 1.263,82 24.247,83 8.058,84 25.046,85 11.524,86 0.176,87 1.099,88 21.006,89 7.484,90 20.543,91 10.348,92 0.151,93 0.986,94 20.114,95 7.053,96 18.139,97 9.644,98 0.122,99 0.893,100 18.841,101 6.859,102 16.124,103 9.176,105 36,106 0.255,107 0.574,108 0.724,109 0.803,110 0.84,111 0.856,112 3.228,113 1.046,114 -5.34,115 -5.22,116 -4.88,121 43.2,127 5,144 8,145 3,147 1,149 1,152 1,176 11,179 3,180 2,183 1,185 2,187 14,192 1,197 2,200 12,206 2,209 2,211 3,214 7,219 4,224 3,227 4,232 5,237 1,239 3,244 7,249 1,251 4,256 7,264 1,269 6,277 1,281 760,282 16.913,283 16.913,284 16.913,285 16.913,286 16.913,287 14.928,288 18.486,289 10.336,290 17.456,291 13.386,292 13.386,293 13.386,294 13.386,295 13.386,296 10.437,297 30.331,298 4.926,299 14.233,300 3.981,301 2.131,302 1.262,303 0.807,304 0.591,305 0.5,306 3.937,310 1,311 1,312 1,313 548,314 2.236,318 263.882,322 101.283,325 1.5,326 10.792,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 50,338 246,339 4.494,340 4.216,341 6.506,342 4.031,343 3.033,344 4.43,345 2.95,346 10.196,347 3.027,348 4.169,349 3.132,350 6.168,351 3.8,352 2.89,353 3.727,354 0.8,355 9.174,356 2.627,357 3.627,358 3.066,359 5.341,360 3.335,361 2.402,362 2.927,363 0.657,364 6.905,365 2.242,366 3.479,367 2.579,368 5.169,369 3.076,370 2.088,371 2.794,373 6.177,374 2.059,375 3.118,376 2.427,377 4.395,378 2.643,379 1.769,380 2.427,382 4.375,383 1.618,384 2.961,385 2.228,386 4.163,387 2.618,388 1.618,389 2.043,391 3.797,392 1.539,393 2.77,394 1.651,395 3.603,396 2.278,397 1.319,398 1.903,400 2.889,401 1.276,402 2.665,403 1.618,404 3.553,405 2.207,406 1.269,407 1.723,409 2.813,410 1.17,411 2.404,412 1.291,413 3.43,414 1.979,415 1,416 1.367,418 2.394,419 0.977,420 2.193,421 1.185,422 3.39,423 1.938,424 1,425 1.163,427 2.298,428 0.924,429 2,430 1.1,431 3.247,432 1.865,433 1,434 1,436 2.136,437 0.847,438 1.805,439 0.647,440 3.058,441 1.474,442 0.523,443 0.655,445 1.229,446 0.496,447 1.093,448 0.381,449 2.455,450 0.692,451 -0.282,452 -0.369,454 -0.704,455 -0.274,456 0.882,457 -0.106,458 2.398,459 0.412,460 -0.506,461 -0.577,463 -1.197,464 -0.461,465 0.792,466 -0.247,467 2.25,468 0.382,469 -0.618,470 -0.927,472 -1.478,473 -0.618,474 11.933,475 0.497,476 0.359,477 0.015,478 32.75,479 1.365,480 17,481 0.708,482 15.75,483 0.656,484 18.172,485 0.757,486 24.667,487 0.561,488 19.925,489 0.83,490 5.896,491 0.246,492 6.003,493 0.25,496 0.243,501 0.945,502 1.253,503 0.756,504 0.926,505 0.801,506 0.903,507 1.036,508 0.977,509 1.244,510 1.117,511 0.813,512 1,513 1.12,514 1.185,515 1.077,516 1.112,517 0.951,518 1.025,519 1.273,520 0.993,521 0.852,522 0.876,523 1.432,524 1.039,525 1.24,526 1.039,527 0.822,528 0.888,529 1.365,530 0.971,531 1.272,532 0.926,533 0.842,534 0.813,535 1.152,536 0.937,537 1.006,538 0.975,539 0.861,540 0.898,541 0.882,542 0.9,543 0.928,544 0.955,545 0.922,546 0.926,547 0.875,548 0.899,549 3,550 0.037,551 2.222,552 1,553 0.769,554 0.465,555 0.203,556 0.149,557 0.156,558 0.09,559 7157,560 16659,561 2.213,562 45.5,564 18,566 1,567 1,572 1.666,573 2.182,574 3.349,575 -0.342,577 1,582 65.066,583 1.479,584 3.329,585 4.198,586 4.652,587 4.869,588 4.959,589 2.721,590 3.887,591 4.562,592 3.482,593 961.054,594 7.854,595 11466.9,597 1,599 1,600 240.215,601 0.811,602 4.56,603 0.111,604 0.002,605 0.062,606 0.028,607 0.026,608 0.017,609 0.008,610 0.006,611 0.007,612 0.005,613 0.273,614 0.17,615 1,617 114.848,618 0.008,619 -0.153,620 0.082,621 0.004,622 0.064,623 0.017,624 0.171,625 0.141,626 -0.153,627 -0.079,628 0.143,629 -0.064,630 -0.062,631 -0.169,632 -0.107,633 -0.145,634 -0.003,635 -0.069,636 -0.063,637 0.007,638 -0.096,639 -0.067,640 -0.204,641 -0.125,642 -0.078,643 -0.063,644 0.018,645 -0.027,646 -0.172,647 -0.032,648 -0.155,649 0.047,650 0.012,651 0.065,652 -0.106,653 0.011,654 -0.001,655 -0.014,656 0.084,657 0.052,658 0.136,659 0.076,660 -0.005,661 -0.012,662 0.042,663 0.045,664 0.117,665 0.093,666 0.835,667 1.686,668 0.917,669 18.306,670 0.99,671 1.119,672 4.105,673 16.853,674 0.699,675 3.332,676 3.611,677 3.892,678 4.143,679 4.369,680 4.304,681 4.419,682 4.489,683 4.595,684 4.575,685 6.122,686 0.647,687 336.5,688 3.332,689 4.844,690 5.687,691 6.544,692 7.399,693 8.261,694 9.121,695 9.984,696 10.845,697 11.709,698 9.1,703 1,704 1,708 2,714 2,715 9,716 2,720 3,722 17,734 1,736 1,741 44,743 17,744 2,745 27,747 47,748 19,749 14,750 3,751 7,756 4,757 5,772 14,773 5,790 1,793 20,794 4,795 1,796 5,797 1,802 4,808 0.75,823 1,829 4,833 1,859 3,860 1,862 1,868 24,876 5,877 1,879 1,881 1,901 11,902 7.767,903 5.333,904 2.654,907 3.443,908 1.469,909 1.026,910 4.746,911 10.785,912 3.597,913 4.174,914 4.777,915 5.358,916 5.909,917 6.054,918 6.412,919 6.743,920 7.126,921 7.117,922 0.857,923 36,924 8.863,926 3.709,927 0.026,929 7.424,931 17.552,933 14.569,936 1.924,937 46.167,940 1,941 223.651,942 137.752,943 54.706,947 32.22,948 105.532,949 223.651,950 54.706,952 8.116,953 75.81,954 63.353,955 20.503,956 4.227,957 244.099,959 223.651,960 160.239,962 32.22,964 223.651,968 19.063,969 89.594,970 51.582,971 32.22,972 223.651,973 54.706,974 137.752,977 223.651,978 52.895,979 87.982,980 18.011,981 33.571,982 223.651,983 54.706,984 137.752,986 0.566,987 0.335,988 0.19,989 0.104,990 18,991 6,992 0.085,993 4,994 1,995 1.091,996 3.795,997 194.314,998 0.091,999 22,1000 104.039,1001 1,1005 15.584,1006 7.308,1007 3.617,1008 2.556,1009 54.706,1010 18.684,1011 9.12,1015 2.993,1017 18.011,1018 416.109,1019 35.5,1031 43.552,1032 49.235,1034 0.271,1035 0.61,1036 0.769,1037 0.852,1038 0.892,1039 0.908,1040 4.798,1041 1.269,1042 5.624,1043 2.889,1044 4.29,1045 4.86,1046 3.007,1047 6.385,1048 4.186,1049 5.965,1050 1,1051 7.14,1052 2.813,1053 3.611,1054 4.477,1055 0.325,1056 7.182,1057 3.485,1058 7.244,1059 1,1060 8.761,1061 2.394,1062 5.82,1063 7.053,1064 5.032,1065 10.297,1066 5.636,1067 8.563,1068 1,1069 10.45,1070 2.298,1071 6.043,1072 7.598,1073 0.268,1074 11.992,1075 5.847,1076 9.921,1077 0.523,1078 12.184,1079 2.136,1080 7.639,1081 9.579,1082 7.185,1083 14.576,1084 7.396,1085 11.306,1086 -0.282,1087 13.949,1088 1.229,1089 8.306,1090 10.587,1091 0.188,1092 16.625,1093 8.059,1094 12.713,1095 -0.506,1096 15.735,1097 -0.704,1098 9.622,1099 12.297,1100 9.348,1101 19.028,1102 9.34,1103 3.033,1104 -0.618,1105 17.538,1106 -1.197,1107 10.51,1108 13.541,1109 0.125,1110 21.221,1111 10.227,1112 2.89,1113 10.196,1114 19.351,1115 -1.478,1116 11.7,1117 15.125,1118 11.511,1119 23.56,1120 11.393,1121 2.402,1122 9.174,1123 21.174,1124 4.43,1125 12.695,1126 16.489,1127 0.082,1128 25.814,1129 12.389,1130 2.088,1131 6.905,1132 23.003,1133 3.727,1134 13.828,1135 18.015,1136 13.675,1137 28.13,1138 13.509,1139 1.769,1140 6.177,1141 24.838,1142 2.927,1143 14.875,1144 19.438,1145 0.054,1146 30.413,1147 14.557,1148 1.618,1149 4.375,1150 26.678,1151 2.794,1152 15.984,1153 20.939,1154 15.838,1155 32.722,1156 15.661,1157 1.319,1158 3.797,1159 28.521,1160 2.427,1161 17.056,1162 22.392,1163 0.035,1164 35.017,1165 16.735,1166 6615,1167 10197,1168 19.068,1169 30.762,1170 39.816,1171 42.781,1172 40.045,1173 39.821,1174 39.824,1175 52.317,1176 8.815,1177 108.769,1178 37.606,1179 5.494,1180 6.216,1181 6.308,1182 5.174,1183 5.033,1184 7.43,1185 5.9,1186 16.978,1187 5.027,1189 1.475,1190 1.584,1191 1.483,1192 1.475,1193 1.475,1194 1.938,1195 0.326,1196 4.028,1197 1.393,1198 4.094,1199 4.118,1200 4.049,1201 4.054,1202 5.003,1203 4.049,1204 3.893,1205 3.952,1206 3.957,1207 3.731,1208 4.887,1209 3.736,1210 3.657,1211 3.715,1212 3.761,1213 3.563,1214 4.352,1215 3.519,1216 3.49,1217 3.538,1218 3.395,1219 3.408,1220 4.232,1221 3.396,1222 3.258,1223 3.331,1224 3.169,1225 3.113,1226 4.13,1227 3.107,1228 3.111,1229 3.206,1230 3.027,1231 2.941,1232 3.851,1233 2.91,1234 2.937,1235 3.001,1236 2.866,1237 2.801,1238 3.727,1239 2.777,1240 2.868,1241 2.938,1242 2.788,1243 2.718,1244 3.48,1245 2.694,1246 0.166,1247 0.156,1248 0.241,1249 0.149,1250 0.112,1251 4.494,1252 0.164,1253 4.216,1254 0.109,1255 6.506,1256 0.378,1257 4.031,1258 0.112,1259 3.033,1260 4.43,1261 2.95,1262 10.196,1263 3.027,1264 2.081,1265 2.062,1266 2.166,1267 2.138,1268 1.325,1269 2.148,1270 1.803,1271 1.749,1272 1.916,1273 2.005,1274 1.256,1275 1.99,1276 1.631,1277 1.581,1278 1.786,1279 1.796,1280 0.883,1281 1.818,1282 1.503,1283 1.461,1284 1.68,1285 1.625,1286 0.825,1287 1.648,1288 1.246,1289 1.184,1290 1.513,1291 1.446,1292 0.732,1293 1.464,1294 1.153,1295 1.064,1296 1.483,1297 1.376,1298 0.59,1299 1.429,1300 0.913,1301 0.844,1302 1.174,1303 1.107,1304 0.342,1305 1.133,1306 0.832,1307 0.768,1308 1.051,1309 1.039,1310 0.247,1311 1.085,1312 4.007,1314 5.293,1316 6.797,1318 8.395,1320 10.038,1328 5.108,1329 3.45,1331 1.993,1333 2.263,1340 28.487,1341 65.066,1342 146.466,1343 184.705,1344 204.705,1345 214.215,1346 218.215,1347 25.239,1348 7.342,1349 41.05,1350 66.35,1351 24,1352 12.256,1353 4.17,1354 3.248,1355 33.969,1356 90,1357 78,1358 0.185,1359 178.34,1360 296.51,1361 426.91,1362 16623,1364 16.192,1365 0.675,1366 0.596,1367 16.546,1368 14.298,1369 11.899,1370 0.441,1371 0.349,1372 8.284,1373 11.092,1374 8.001,1375 6.585,1376 12.399,1377 9.418,1378 10.168,1379 0.282,1380 0.196,1381 10.698,1382 7.058,1383 8.809,1384 0.184,1385 0.109,1386 9.263,1387 5.219,1388 7.508,1389 0.121,1390 0.063,1391 8.003,1392 3.898,1393 6.281,1394 0.081,1395 0.037,1396 6.837,1397 2.886,1398 0.292,1399 78.285,1400 0.229,1401 23.599,1402 0.498,1403 126,1404 304.129,1405 153.074,1406 323.209,1407 454.07,1408 308,1409 147,1410 328.16,1411 169.578,1412 343.427,1413 503.8,1414 325,1415 4.893}
{0 CHEMBL1084213,1 1.375,2 10.88,3 3.532,4 12.471,5 104.717,6 6.947,7 0.607,8 3.965,9 4.105,10 3.495,11 3.5,12 4.97,13 3.469,14 4.515,15 4.723,16 3.821,17 3.894,18 5.452,19 3.836,20 4.752,21 4.983,22 3.851,23 4.056,24 5.598,25 3.953,26 4.832,27 5.101,28 3.707,29 4.004,30 5.647,31 3.864,32 4.75,33 5.039,34 3.594,35 3.876,36 5.549,37 3.737,38 4.54,39 4.801,40 3.509,41 3.742,42 5.393,43 3.626,44 4.477,45 4.745,46 3.455,47 3.68,48 5.336,49 3.568,50 4.406,51 4.669,52 3.371,53 3.631,54 5.224,55 3.506,56 0.045,57 0.755,58 10.693,59 4.068,60 7.855,61 5.937,62 0.281,63 1.225,64 20.054,65 6.603,66 19.966,67 9.846,68 0.216,69 1.454,70 25.651,71 9.058,72 19.409,73 13.539,74 0.283,75 1.479,76 28.747,77 9.739,78 28.667,79 14.785,80 0.301,81 1.33,82 26.995,83 8.676,84 29.159,85 13.374,86 0.183,87 1.126,88 21.305,89 6.919,90 22.46,91 10.662,92 0.219,93 1.052,94 20.173,95 6.435,96 23.297,97 9.902,98 0.137,99 0.966,100 18.518,101 6.524,102 18.316,103 9.85,104 2,105 38,106 0.233,107 0.549,108 0.706,109 0.805,110 0.839,111 0.853,112 3.267,113 0.939,114 -4.78,115 -4.69,116 -4.4,121 41.7,126 1,127 5,144 8,145 3,147 1,149 1,152 1,176 11,179 3,180 2,183 1,185 2,187 14,191 1,197 2,200 12,206 2,209 2,211 3,214 7,218 2,219 2,224 3,227 4,232 5,237 1,239 3,244 8,247 1,251 3,256 7,264 1,269 7,281 879,282 17.361,283 17.361,284 17.361,285 17.361,286 17.361,287 15.375,288 21.819,289 10.422,290 17.772,291 13.852,292 13.852,293 13.852,294 13.852,295 13.852,296 10.904,297 36.884,298 4.963,299 14.517,300 4.21,301 2.347,302 1.422,303 0.839,304 0.641,305 0.557,306 3.972,310 1,311 1,312 1,313 602,314 2.345,318 280.13,322 107.718,325 1.664,326 11.478,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 52.5,338 272,339 4.494,340 3.16,341 6.506,342 4.031,343 3.033,344 4.43,345 0.8,346 10.196,347 3.027,348 4.172,349 3.113,350 6.173,351 3.816,352 2.904,353 3.728,354 0.8,355 9.189,356 2.647,357 3.655,358 2.702,359 5.35,360 3.401,361 2.469,362 2.928,363 0.657,364 6.945,365 2.301,366 3.491,367 2.516,368 5.176,369 3.155,370 2.221,371 2.807,373 6.21,374 2.101,375 3.296,376 2.222,377 5.013,378 3.034,379 2.061,380 2.427,382 5.976,383 1.973,384 3.118,385 1.638,386 4.263,387 2.618,388 1.618,389 2.36,391 3.933,392 1.618,393 2.785,394 1.618,395 4.159,396 2.391,397 1.475,398 1.907,400 3.777,401 1.351,402 2.764,403 1.291,404 3.6,405 2.272,406 1.274,407 1.865,409 2.85,410 1.271,411 2.467,412 1.185,413 3.493,414 2.057,415 1.111,416 1.458,418 2.565,419 1.048,420 2.403,421 1.146,422 3.414,423 1.978,424 1,425 1.366,427 2.299,428 0.976,429 2,430 1.1,431 3.391,432 1.967,433 1,434 1,436 2.275,437 0.965,438 1.805,439 0.647,440 3.061,441 1.474,442 0.524,443 0.656,445 1.231,446 0.497,447 1.096,448 0.025,449 2.543,450 0.8,451 -0.15,452 -0.159,454 -0.332,455 -0.142,456 0.954,457 -0.106,458 2.439,459 0.688,460 -0.286,461 -0.372,463 -0.717,464 -0.278,465 0.882,466 -0.564,467 2.25,468 0.382,469 -0.618,470 -0.899,472 -1.478,473 -0.618,474 12,475 0.48,476 0.465,477 0.019,478 34,479 1.36,480 17,481 0.68,482 17,483 0.68,484 18.164,485 0.727,486 26.4,487 0.55,488 22.677,489 0.907,490 6.797,491 0.272,492 5.496,493 0.22,494 0.042,496 0.275,501 0.99,502 1.498,503 0.843,504 1.141,505 0.848,506 1.005,507 1.281,508 0.882,509 0.992,510 0.84,511 0.837,512 0.877,513 1.088,514 1.116,515 1.047,516 1.07,517 0.96,518 1.057,519 1.05,520 1.038,521 1.066,522 1.057,523 1.253,524 1.062,525 1.133,526 0.861,527 0.968,528 0.858,529 1.22,530 0.889,531 1.256,532 1.111,533 1.042,534 1.009,535 1.158,536 1.003,537 1.296,538 0.892,539 1.003,540 0.85,541 1.257,542 0.887,543 0.957,544 1.043,545 0.938,546 0.988,547 0.91,548 0.965,549 4,550 0.062,551 2.667,552 1.063,553 0.96,554 0.576,555 0.283,556 0.227,557 0.201,558 0.101,559 7970,560 16740,561 2.179,562 47.9,564 21,566 1,567 1,572 1.677,573 2.113,574 3.419,575 -0.356,577 1,582 65.988,583 1.375,584 3.238,585 4.163,586 4.746,587 4.944,588 5.028,589 2.889,590 4.404,591 4.619,592 3.562,593 1068.63,594 7.968,595 13163.7,597 1,599 1,600 268.078,601 1.078,602 4.606,603 0.143,604 0.004,605 0.07,606 0.028,607 0.031,608 0.021,609 0.011,610 0.009,611 0.009,612 0.005,613 0.33,614 0.33,615 1,616 0.372,617 121.679,618 0.026,619 -0.297,620 0.081,621 -0.1,622 0.048,623 -0.02,624 0.069,625 0.272,626 -0.009,627 0.114,628 0.131,629 0.056,630 -0.063,631 -0.068,632 -0.082,633 -0.081,634 -0.034,635 -0.083,637 -0.057,638 -0.08,639 -0.094,640 -0.106,641 -0.095,642 0.002,643 0.099,644 0.038,645 0.082,646 -0.068,647 0.067,648 -0.126,649 -0.104,650 -0.051,651 -0.055,652 -0.049,653 -0.047,654 -0.101,655 0.119,656 -0.003,657 0.093,658 -0.023,659 0.062,660 -0.03,661 -0.073,662 0.037,663 0.001,664 0.076,665 0.022,666 0.851,667 1.702,668 0.88,669 20.166,670 0.989,671 1.13,672 3.545,673 12.568,674 0.664,675 3.367,676 3.664,677 3.932,678 4.174,679 4.419,680 4.382,681 4.466,682 4.554,683 4.654,684 4.654,685 6.395,686 0.622,687 333.48,688 3.367,689 4.89,690 5.733,691 6.594,692 7.451,693 8.315,694 9.175,695 10.041,696 10.902,697 11.768,698 10.4,701 1,703 1,704 1,708 2,714 2,715 9,716 2,720 3,722 17,734 1,736 1,741 48,743 17,744 2,745 28,747 51,748 20,749 14,750 3,751 7,756 4,757 5,772 14,773 6,789 1,790 1,793 23,794 5,795 1,796 5,802 5,808 0.75,823 1,829 4,833 1,855 1,859 3,864 1,868 25,876 5,877 1,881 2,901 11.833,902 8.8,903 5.5,904 2.887,907 3.447,908 1.463,909 1.015,910 4.706,911 10.894,912 3.624,913 4.205,914 4.794,915 5.367,916 5.92,917 6.073,918 6.427,919 6.764,920 7.145,921 7.153,922 1,923 38,924 9.226,926 3.84,927 0.026,929 7.433,931 18.228,933 15.018,936 1.933,937 48.333,940 1,941 258.964,942 116.341,943 57.83,948 116.341,949 258.964,950 57.83,951 8.396,952 10.529,953 75.81,954 63.353,955 23.628,956 4.227,957 247.193,959 258.964,960 174.171,964 258.964,968 24.599,969 97.99,970 51.582,972 258.964,973 57.83,974 116.341,977 258.964,978 23.087,979 99.502,980 18.011,981 33.571,982 258.964,983 57.83,984 116.341,986 0.574,987 0.335,988 0.183,989 0.103,990 19,991 7,992 0.078,993 4,994 1,995 1.091,996 3.857,997 205.423,998 0.091,999 22,1000 110.096,1005 16.16,1006 7.28,1007 3.692,1008 2.55,1009 57.83,1010 18.671,1011 9.151,1015 2.964,1017 18.011,1018 433.135,1019 36.5,1031 47.461,1032 54.228,1034 0.246,1035 0.58,1036 0.745,1037 0.85,1038 0.885,1039 0.9,1040 4.838,1041 1.274,1042 5.687,1043 3.777,1044 4.344,1045 4.89,1046 1.331,1047 6.454,1048 4.255,1049 6.012,1050 1.111,1051 7.212,1052 2.85,1053 3.761,1054 4.543,1055 0.57,1056 7.261,1057 3.61,1058 7.294,1059 1,1060 8.837,1061 2.565,1062 5.889,1063 7.074,1064 0.831,1065 10.35,1066 5.715,1067 8.613,1068 1,1069 10.524,1070 2.299,1071 6.155,1072 7.622,1073 0.479,1074 12.028,1075 5.933,1076 9.968,1077 0.524,1078 12.253,1079 2.275,1080 7.708,1081 9.589,1082 0.532,1083 14.606,1084 7.465,1085 11.349,1086 -0.15,1087 14.011,1088 1.231,1089 8.389,1090 10.595,1091 0.346,1092 16.642,1093 8.118,1094 12.75,1095 -0.286,1096 15.789,1097 -0.332,1098 9.684,1099 12.301,1100 0.342,1101 19.044,1102 9.393,1103 3.033,1104 -0.618,1105 17.584,1106 -0.717,1107 10.574,1108 13.545,1109 0.237,1110 21.231,1111 10.27,1112 2.904,1113 10.196,1114 19.391,1115 -1.478,1116 11.753,1117 15.127,1118 0.219,1119 23.569,1120 11.433,1121 2.469,1122 9.189,1123 21.207,1124 4.43,1125 12.746,1126 16.49,1127 0.158,1128 25.821,1129 12.421,1130 2.221,1131 6.945,1132 23.032,1133 3.728,1134 13.874,1135 18.016,1136 0.14,1137 28.137,1138 13.539,1139 2.061,1140 6.21,1141 24.862,1142 2.928,1143 14.919,1144 19.439,1145 0.104,1146 30.418,1147 14.582,1148 1.618,1149 5.976,1150 26.698,1151 2.807,1152 16.025,1153 20.939,1154 0.089,1155 32.727,1156 15.683,1157 1.475,1158 3.933,1159 28.537,1160 2.427,1161 17.095,1162 22.393,1163 0.068,1164 35.022,1165 16.754,1166 7416,1167 10866,1168 19.474,1169 31.881,1170 41.614,1171 41.349,1172 42.053,1173 41.417,1174 41.379,1175 53.864,1176 4.515,1177 114.892,1178 39.55,1179 5.494,1180 5.16,1181 6.195,1182 5.103,1183 5.033,1184 7.43,1185 1.457,1186 16.978,1187 5.027,1188 6.73,1189 1.486,1190 1.477,1191 1.502,1192 1.479,1193 1.478,1194 1.924,1195 0.161,1196 4.103,1197 1.412,1198 4.095,1199 4.12,1200 4.047,1201 4.054,1202 5.004,1203 4.049,1204 3.912,1205 3.978,1206 3.855,1207 3.714,1208 4.887,1209 3.741,1210 3.722,1211 3.793,1212 3.616,1213 3.535,1214 4.369,1215 3.545,1216 3.495,1217 3.544,1218 3.391,1219 3.408,1220 4.339,1221 3.398,1222 3.276,1223 3.357,1224 3.15,1225 3.115,1226 4.151,1227 3.111,1228 3.174,1229 3.27,1230 3.002,1231 2.941,1232 3.903,1233 2.942,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.83,1239 2.91,1240 2.917,1241 2.989,1242 2.792,1243 2.74,1244 3.618,1245 2.74,1246 0.16,1247 0.113,1248 0.232,1249 0.144,1250 0.108,1251 4.494,1252 0.158,1253 3.16,1254 0.029,1255 6.506,1256 0.364,1257 4.031,1258 0.108,1259 3.033,1260 4.43,1261 0.8,1262 10.196,1263 3.027,1264 2.081,1265 2.062,1266 2.166,1267 2.138,1268 1.325,1269 2.148,1270 1.822,1271 1.758,1272 1.993,1273 2.047,1274 1.285,1275 2.034,1276 1.674,1277 1.608,1278 1.823,1279 1.884,1280 0.884,1281 1.873,1282 1.505,1283 1.462,1284 1.685,1285 1.634,1286 0.825,1287 1.654,1288 1.254,1289 1.188,1290 1.544,1291 1.486,1292 0.741,1293 1.506,1294 1.166,1295 1.065,1296 1.513,1297 1.417,1298 0.642,1299 1.446,1300 1.153,1301 1.064,1302 1.48,1303 1.376,1304 0.584,1305 1.429,1306 0.905,1307 0.832,1308 1.174,1309 1.104,1310 0.263,1311 1.13,1312 4.043,1314 5.342,1316 6.851,1318 8.451,1320 10.096,1322 2.153,1328 4.807,1329 3.453,1333 4.586,1340 29.848,1341 65.988,1342 155.443,1343 199.814,1344 227.814,1345 237.323,1346 241.323,1347 26.877,1348 7.447,1349 44.29,1350 44.29,1351 24,1352 12.315,1353 4.17,1354 3.248,1355 36.06,1356 97,1357 95,1358 0.18,1359 183.596,1360 306.3,1361 439.734,1362 18946,1364 17.062,1365 0.682,1366 0.581,1367 17.062,1368 14.521,1369 12.293,1370 0.439,1371 0.313,1372 8.649,1373 11.886,1374 8.428,1375 6.993,1376 12.293,1377 8.765,1378 10.789,1379 0.284,1380 0.172,1381 10.789,1382 6.524,1383 9.219,1384 0.184,1385 0.095,1386 9.219,1387 4.769,1388 7.66,1389 0.12,1390 0.051,1391 7.66,1392 3.238,1393 6.505,1394 0.079,1395 0.028,1396 6.505,1397 2.328,1398 0.286,1399 76.345,1400 0.227,1401 24.484,1402 0.484,1403 132,1404 314.913,1405 141.88,1406 313.848,1407 444.51,1408 298,1409 154,1410 337.549,1411 164.88,1412 346.256,1413 505.37,1414 326,1415 4.757}
{0 CHEMBL1084250,1 1.535,2 7.714,3 2.429,4 5.901,5 78.811,6 7.134,7 0.478,8 3.784,9 3.907,10 3.313,11 3.312,12 4.866,13 3.289,14 4.342,15 4.526,16 3.684,17 3.715,18 5.391,19 3.666,20 4.588,21 4.791,22 3.881,23 3.924,24 5.623,25 3.872,26 4.721,27 4.935,28 3.793,29 3.903,30 5.845,31 3.821,32 4.658,33 4.91,34 3.579,35 3.764,36 5.658,37 3.672,38 4.471,39 4.711,40 3.401,41 3.612,42 5.576,43 3.489,44 4.37,45 4.639,46 3.074,47 3.423,48 5.267,49 3.274,50 4.151,51 4.418,52 2.757,53 3.159,54 5.036,55 2.997,56 0.021,57 0.588,58 8.636,59 3.7,60 6.566,61 4.974,62 0.234,63 0.939,64 16.631,65 6.391,66 23.119,67 8.868,68 0.107,69 1.217,70 21.218,71 7.739,72 19.895,73 11.231,74 0.381,75 1.293,76 25.408,77 8.234,78 53.881,79 11.934,80 0.351,81 1.155,82 24.836,83 7.157,84 44.961,85 10.792,86 0.359,87 0.962,88 20.044,89 6.537,90 48.917,91 9.776,92 0.218,93 0.792,94 18.781,95 6.196,96 31.718,97 9.027,98 0.191,99 0.607,100 15.195,101 4.97,102 28.168,103 7.127,104 19,105 33,106 0.274,107 0.608,108 0.776,109 0.836,110 0.854,111 0.854,112 3.105,113 0.95,114 -3.59,115 -3.56,116 -3.39,121 40,122 1,123 5,126 1,144 1,145 3,146 1,148 2,151 1,160 1,165 1,166 1,167 1,176 7,179 2,180 8,185 2,187 8,189 2,192 6,197 2,200 8,203 2,205 2,206 10,208 2,209 2,211 3,214 5,216 3,219 2,224 2,227 5,229 2,231 2,232 4,234 2,235 2,237 1,239 6,241 1,244 2,251 4,256 4,264 2,269 4,281 462,282 14.146,283 14.146,284 14.146,285 14.146,286 14.146,287 12.689,288 12.729,289 8.181,290 14.429,291 11.255,292 11.255,293 11.255,294 11.255,295 11.255,296 8.856,297 7.627,298 3.783,299 11.593,300 3.787,301 1.919,302 0.975,303 0.638,304 0.538,305 0.538,306 3.783,310 1,311 1,312 1,313 344,314 2.739,318 70.353,319 50.508,322 60.171,323 72.165,325 1.252,326 23.157,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 45.5,338 162,339 4.673,340 3.682,341 6.801,342 4.226,343 3.249,344 4.615,345 1.674,346 11.171,347 3.174,348 4.244,349 3.328,350 6.389,351 3.888,352 2.901,353 3.797,355 9.67,356 2.856,357 3.78,358 2.784,359 5.922,360 3.391,361 2.409,362 3.205,364 8.105,365 2.361,366 3.519,367 2.411,368 5.318,369 3.09,370 2.139,371 2.906,373 6.481,374 2.025,375 3.188,376 2.182,377 4.825,378 2.784,379 1.823,380 2.352,382 4.978,383 1.74,384 2.691,385 1.616,386 4.224,387 2.599,388 1.602,389 1.719,391 3.604,392 1.596,393 2.633,394 1.595,395 3.802,396 2.328,397 1.355,398 1.64,400 3.353,401 1.311,402 2.192,403 1.461,404 3.683,405 1.991,406 1.025,407 1.158,409 2.494,410 0.985,411 1.532,412 1.254,413 3.151,414 1.251,415 0.344,416 0.387,418 0.65,419 0.308,420 1.438,421 0.444,422 2.86,423 1.119,424 0.165,425 0.192,427 0.373,428 0.156,429 1.336,430 0.281,431 2.618,432 0.949,433 -0.049,434 -0.064,436 -0.1,437 -0.049,438 0.802,439 -0.117,440 2.418,441 0.66,442 -0.329,443 -0.356,445 -0.746,446 -0.324,447 0.773,448 -0.238,449 2.333,450 0.467,451 -0.489,452 -0.602,454 -1.278,455 -0.467,456 0.485,457 -0.363,458 1.916,459 0.099,460 -0.9,461 -1.2,463 -2.586,464 -0.89,465 0.083,466 -0.812,467 1.813,468 -0.222,469 -1.191,470 -1.492,472 -2.968,473 -1.152,474 9.867,475 0.47,476 0.559,477 0.027,478 25.5,479 1.214,480 12,481 0.571,482 13.5,483 0.643,484 18.105,485 0.862,486 23.133,487 0.578,488 17.429,489 0.83,490 4.685,491 0.223,492 5.429,493 0.259,494 0.176,496 0.405,501 0.787,502 1.272,503 0.821,504 1.119,505 0.696,506 0.991,507 0.7,508 1.055,509 0.748,510 0.92,511 0.49,512 0.861,513 0.695,514 1.229,515 0.77,516 1.025,517 0.626,518 0.918,519 1.035,520 1.193,521 1.131,522 1.165,523 1.192,524 1.163,525 1.301,526 0.936,527 1.114,528 0.866,529 1.244,530 0.928,531 0.68,532 1.056,533 1.121,534 1.162,535 0.701,536 1.194,537 1.053,538 0.921,539 1.068,540 1.025,541 1.077,542 1.045,543 1.219,544 0.9,545 1.166,546 1.08,547 1.289,548 1.113,549 4,550 0.02,551 2.889,552 1.938,553 1.68,554 0.896,555 0.474,556 0.273,557 0.119,558 0.049,559 3742,560 9292,561 2.045,562 47.5,563 8,564 4,567 2,568 5,572 1.637,573 1.881,574 2.961,575 0.331,576 1,577 1,579 1,582 61.412,583 1.535,584 3.403,585 4.346,586 4.684,587 4.784,588 4.784,589 2.47,590 4.107,591 4.364,592 3.049,593 640.189,594 7.506,595 6462.89,596 1,597 1,599 1,600 212.877,601 1.51,602 4.305,603 0.174,604 0.01,605 0.088,606 0.048,607 0.051,608 0.033,609 0.023,610 0.018,611 0.012,612 0.008,613 0.465,614 0.67,615 1,616 1.083,617 92.14,618 -0.052,619 -0.049,620 0.042,621 -0.002,622 -0.053,623 0.034,624 0.174,625 0.024,626 0.176,627 0.138,628 0.164,629 0.15,630 0.009,631 -0.132,632 0.145,633 0.004,634 0.076,635 0.084,636 0.016,637 -0.131,638 -0.164,639 -0.204,640 -0.018,641 -0.218,642 -0.221,643 0.078,644 -0.115,645 0.049,646 -0.189,647 0.002,648 0.197,649 -0.027,650 -0.162,651 -0.207,652 0.171,653 -0.235,654 -0.099,655 -0.018,656 -0.082,657 -0.063,658 -0.1,659 -0.065,660 -0.139,661 -0.024,662 -0.164,663 -0.125,664 -0.167,665 -0.14,666 2.059,667 4.81,668 0.714,669 13.905,670 1.001,671 1.131,672 2.356,673 5.55,674 0.65,675 3.178,676 3.526,677 3.85,678 4.127,679 4.407,680 4.595,681 4.663,682 4.796,683 4.852,684 4.779,685 4.647,686 0.618,687 285.38,688 3.178,689 4.727,690 5.602,691 6.5,692 7.396,693 8.303,694 9.206,695 10.117,696 11.024,697 11.938,698 7.5,702 1,708 2,714 2,715 1,716 2,720 5,722 11,732 1,733 1,741 40,743 12,745 23,747 42,748 16,749 8,752 1,756 3,757 6,763 1,767 5,770 5,772 9,773 7,777 1,782 1,786 1,789 1,790 1,793 19,794 5,795 2,796 5,802 3,808 0.333,809 2,822 2,829 2,830 1,833 1,834 1,859 1,864 2,868 21,869 1,876 5,878 1,893 5,896 1,898 1,901 11.167,902 7.9,903 4.667,904 2.575,907 2.487,908 1.353,909 0.984,910 3.707,911 9.538,912 3.418,913 4.069,914 4.727,915 5.357,916 6.004,917 6.468,918 6.858,919 7.264,920 7.574,921 7.554,922 1,923 40,924 7.787,926 3.324,927 0.026,929 7.754,931 14.968,933 12.436,936 2.254,937 47.333,938 0.001,941 200.109,942 67.978,943 66.468,945 36.145,948 67.978,949 236.254,950 66.468,951 19.708,952 12.673,953 42.373,954 65.907,955 29.93,957 200.109,959 200.109,960 134.446,961 36.145,964 201.824,965 36.145,968 27.011,969 72.149,970 33.571,972 200.109,973 102.613,974 67.978,977 200.109,978 38.794,979 29.185,981 102.613,982 200.109,983 102.613,984 67.978,986 0.585,987 0.362,988 0.196,989 0.109,990 17,991 8,992 0.048,993 2,994 2,995 1.267,996 3.165,997 169.887,998 0.267,999 15,1000 92.239,1005 14.121,1006 5.513,1007 2.435,1008 1.375,1009 102.613,1010 1.761,1011 9.133,1015 3.98,1017 32.897,1018 370.7,1019 29.5,1024 11.81,1028 -0.392,1031 40.029,1032 45.235,1034 0.288,1035 0.639,1036 0.817,1037 0.88,1038 0.899,1039 0.899,1040 4.67,1041 1.025,1042 5.609,1043 3.353,1044 4.205,1045 4.754,1046 1.888,1047 6.475,1048 4.15,1049 5.903,1050 0.344,1051 7.209,1052 2.494,1053 3.892,1054 4.796,1056 7.483,1057 3.825,1058 7.245,1059 0.165,1060 8.91,1061 0.65,1062 5.849,1063 7.073,1064 2.817,1065 10.62,1066 5.752,1067 8.628,1068 -0.049,1069 10.669,1070 0.373,1071 6.347,1072 7.922,1074 12.418,1075 6.235,1076 10.042,1077 -0.329,1078 12.464,1079 -0.1,1080 7.794,1081 9.722,1082 3.808,1083 15.082,1084 7.657,1085 11.479,1086 -0.489,1087 14.283,1088 -0.746,1089 8.66,1090 10.929,1092 17.206,1093 8.506,1094 12.934,1095 -0.9,1096 16.118,1097 -1.278,1098 9.917,1099 12.554,1100 4.825,1101 19.702,1102 9.74,1103 3.249,1104 -1.191,1105 17.965,1106 -2.586,1107 10.948,1108 13.927,1110 21.972,1111 10.751,1112 2.901,1113 11.171,1114 19.822,1115 -2.968,1116 12.136,1117 15.485,1118 5.851,1119 24.405,1120 11.917,1121 2.409,1122 9.67,1123 21.686,1124 4.615,1125 13.239,1126 16.937,1128 26.742,1129 12.998,1130 2.139,1131 8.105,1132 23.556,1133 3.797,1134 14.405,1135 18.471,1136 6.88,1137 29.152,1138 14.141,1139 1.823,1140 6.481,1141 25.431,1142 3.205,1143 15.541,1144 19.96,1146 31.522,1147 15.254,1148 1.602,1149 4.978,1150 27.311,1151 2.906,1152 16.702,1153 21.486,1154 7.91,1155 33.925,1156 16.391,1157 1.355,1158 3.604,1159 29.193,1160 2.352,1161 17.853,1162 22.994,1164 36.312,1165 17.519,1166 3737,1167 6011,1168 15.027,1169 26.017,1170 34.235,1171 35.808,1172 36.578,1173 33.94,1174 34.026,1175 43.945,1176 3.349,1177 101.757,1178 33.022,1179 5.56,1180 5.682,1181 6.552,1182 5.284,1183 5.249,1184 7.615,1185 3.349,1186 18.716,1187 5.158,1188 10.858,1189 1.488,1190 1.557,1191 1.59,1192 1.476,1193 1.479,1194 1.911,1195 0.146,1196 4.424,1197 1.436,1198 4.106,1199 4.137,1200 4.078,1201 4.013,1202 7.433,1203 4.024,1204 3.779,1205 3.822,1206 3.689,1207 3.673,1208 5.161,1209 3.669,1210 3.508,1211 3.545,1212 3.409,1213 3.347,1214 4.842,1215 3.351,1216 3.329,1217 3.39,1218 3.197,1219 3.121,1220 4.506,1221 3.113,1222 3.264,1223 3.342,1224 3.088,1225 3.028,1226 4.364,1227 3.048,1228 3.058,1229 3.14,1230 2.873,1231 2.903,1232 4.026,1233 2.884,1234 2.935,1235 3.064,1236 2.764,1237 2.7,1238 3.849,1239 2.705,1240 2.905,1241 2.961,1242 2.697,1243 2.602,1244 3.619,1245 2.619,1246 0.203,1247 0.16,1248 0.296,1249 0.184,1250 0.141,1251 4.673,1252 0.201,1253 3.682,1254 0.073,1255 6.801,1256 0.486,1257 4.226,1258 0.138,1259 3.249,1260 4.615,1261 1.674,1262 11.171,1263 3.174,1264 2.027,1265 2.003,1266 2.082,1267 2.138,1268 1.325,1269 2.122,1270 1.704,1271 1.642,1272 1.964,1273 1.865,1274 1.281,1275 1.903,1276 1.651,1277 1.619,1278 1.812,1279 1.798,1280 1.023,1281 1.799,1282 1.269,1283 1.224,1284 1.593,1285 1.584,1286 0.68,1287 1.581,1288 1.234,1289 1.16,1290 1.548,1291 1.461,1292 0.582,1293 1.494,1294 0.966,1295 0.888,1296 1.277,1297 1.277,1298 0.436,1299 1.29,1300 0.912,1301 0.814,1302 1.184,1303 1.208,1304 0.331,1305 1.192,1306 0.677,1307 0.584,1308 1.063,1309 0.997,1310 0.046,1311 1.044,1312 3.85,1314 5.187,1316 6.732,1317 2.708,1318 8.383,1319 5.094,1320 10.093,1322 3.153,1326 6.338,1328 5.379,1330 4.798,1340 24.708,1341 61.412,1342 136.122,1343 173.858,1344 187.367,1345 191.367,1346 191.367,1347 34.801,1348 7.051,1349 78.1,1350 78.1,1351 19,1352 12.452,1353 3.7,1354 2.907,1355 31.972,1356 60,1357 59,1358 0.283,1359 152.879,1360 261.22,1361 364.784,1362 9526,1364 14.983,1365 0.713,1366 0.591,1367 14.983,1368 12.401,1369 10.113,1370 0.44,1371 0.317,1372 7.189,1373 9.735,1374 6.961,1375 5.796,1376 10.113,1377 7.284,1378 9.079,1379 0.275,1380 0.167,1381 9.079,1382 5.495,1383 8.104,1384 0.176,1385 0.09,1386 8.104,1387 4.143,1388 6.681,1389 0.11,1390 0.049,1391 6.681,1392 2.963,1393 5.458,1394 0.067,1395 0.027,1396 5.458,1397 2.153,1398 0.421,1399 63.478,1400 0.258,1401 20.147,1402 0.846,1403 112,1404 322.074,1405 122.393,1406 309.777,1407 426.37,1408 290,1409 135,1410 316.661,1411 145.313,1412 322.333,1413 475.83,1414 302,1415 5.699}
{0 CHEMBL1084254,1 1.257,2 14.788,3 6.769,4 45.813,5 137.268,6 6.547,7 0.486,8 4.267,9 4.395,10 3.742,11 3.874,12 5.202,13 3.812,14 4.852,15 5.04,16 4.077,17 4.297,18 5.701,19 4.202,20 5.185,21 5.424,22 4.142,23 4.474,24 5.982,25 4.337,26 5.256,27 5.518,28 4.049,29 4.464,30 6.02,31 4.3,32 5.225,33 5.495,34 4.046,35 4.44,36 5.992,37 4.278,38 5.163,39 5.413,40 3.998,41 4.397,42 5.995,43 4.24,44 5.115,45 5.369,46 3.859,47 4.303,48 5.983,49 4.132,50 5.012,51 5.287,52 3.685,53 4.159,54 5.783,55 3.972,56 0.066,57 0.905,58 15.391,59 6.733,60 9.01,61 9.425,62 0.174,63 1.587,64 28.462,65 11.428,66 17.452,67 16.35,68 0.271,69 2.1,70 40.389,71 16.055,72 34.413,73 22.979,74 0.307,75 2.183,76 43.67,77 17.406,78 40.347,79 24.835,80 0.323,81 2.091,82 42.236,83 17.262,84 37.052,85 24.592,86 0.271,87 1.956,88 39.65,89 16.314,90 37.827,91 22.864,92 0.346,93 1.827,94 38.139,95 15.461,96 52.241,97 21.518,98 0.229,99 1.65,100 34.207,101 13.984,102 38.006,103 19.771,104 2,105 50,106 0.198,107 0.469,108 0.665,109 0.806,110 0.839,111 0.844,112 3.531,113 1.014,114 -6.53,115 -6.35,116 -5.89,121 44.8,123 6,124 1,127 4,144 13,145 3,146 2,159 1,176 20,180 10,187 21,192 11,200 15,206 7,214 15,218 1,219 6,227 24,232 2,239 25,243 1,244 5,251 19,256 6,264 14,269 3,277 12,281 2027,282 22.999,283 22.999,284 22.999,285 22.999,286 22.999,287 20.73,288 26.934,289 13.913,290 23.177,291 18.319,292 18.319,293 18.319,294 18.319,295 18.319,296 14.94,297 34.856,298 6.672,299 18.609,300 4.809,301 3.093,302 1.849,303 0.959,304 0.746,305 0.716,306 4.246,312 1,313 1088,314 3.162,318 528.678,322 160.328,325 2.292,326 17.366,329 0.75,330 0.83,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.78,337 68,338 488,339 4.441,340 3.611,341 6.708,342 4.122,343 3.156,344 4.044,345 1.277,346 10.91,347 3.061,348 4.056,349 3.349,350 6.029,351 3.761,352 2.763,353 3.528,354 0.916,355 8.601,356 2.758,357 3.941,358 3.017,359 5.717,360 3.676,361 2.705,362 3.457,363 0.8,364 7.79,365 2.623,366 3.805,367 2.668,368 5.615,369 3.475,370 2.479,371 3.211,372 0.172,373 7.613,374 2.467,375 3.595,376 2.557,377 5.328,378 3.409,379 2.409,380 2.634,382 6.936,383 2.402,384 3.184,385 2.225,386 4.955,387 3.027,388 2.072,389 2.363,391 5.867,392 1.969,393 3.15,394 1.976,395 4.684,396 2.787,397 1.809,398 2.248,400 4.818,401 1.765,402 2.885,403 1.946,404 4.238,405 2.569,406 1.558,407 1.974,409 3.951,410 1.571,411 2.807,412 1.52,413 3.996,414 2.417,415 1.422,416 1.891,418 3.325,419 1.413,420 2.766,421 1.469,422 3.592,423 2.329,424 1.33,425 1.855,427 3.037,428 1.325,429 2.5,430 1.313,431 3.547,432 2.247,433 1.254,434 1.5,436 2.819,437 1.243,438 2.5,439 1.089,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.459,448 1.077,449 3.319,450 2,451 1,452 1.45,454 2.136,455 1,456 2.026,457 1,458 3.247,459 1.984,460 1,461 1,463 2.136,464 0.983,465 2,466 1,467 3.247,468 1.745,469 0.759,470 0.931,472 1.861,473 0.747,474 16.133,475 0.489,476 0.585,477 0.018,478 40.25,479 1.22,480 20,481 0.606,482 20.25,483 0.614,484 31.616,485 0.958,486 34.867,487 0.52,488 28.116,489 0.852,490 7.433,491 0.225,492 8.826,493 0.267,494 0.021,496 0.267,501 0.707,502 1.235,503 0.903,504 1.07,505 0.533,506 1.009,507 1.042,508 1.163,509 1.052,510 1.062,511 0.604,512 1.049,513 1.127,514 1.088,515 1.05,516 1.04,517 0.884,518 1.036,519 1.189,520 1.024,521 1.049,522 1.015,523 1.144,524 1.021,525 0.891,526 0.894,527 0.915,528 0.92,529 0.997,530 0.919,531 1.27,532 0.998,533 1.049,534 1.043,535 1.553,536 1.037,537 1.541,538 1.014,539 1.126,540 1.064,541 2.06,542 1.078,543 1.13,544 1.034,545 1.01,546 1.04,547 1.371,548 1.027,549 5,550 0.128,551 3.111,552 1.375,553 1.431,554 0.903,555 0.624,556 0.368,557 0.23,558 0.184,559 18605,560 35779,561 2.187,562 50.7,563 5,564 21,568 2,569 6,572 1.747,573 2.129,574 3.821,575 -0.901,582 84.248,583 1.257,584 2.973,585 4.217,586 5.107,587 5.32,588 5.35,589 3.253,590 4.499,591 5.015,592 4.005,593 2114.88,594 8.752,595 33275.5,600 406.428,601 1.027,602 5.01,603 0.135,604 0.005,605 0.062,606 0.027,607 0.032,608 0.02,609 0.015,610 0.01,611 0.008,612 0.007,613 0.319,614 0.5,615 0.75,616 0.306,617 178.847,618 0.055,619 -0.101,620 0.072,621 -0.008,622 0.037,623 0.024,624 -0.06,625 -0.051,626 -0.06,627 -0.059,628 0.01,629 -0.058,630 -0.056,631 -0.055,632 -0.057,633 -0.058,634 0.018,635 -0.057,636 -0.069,637 -0.034,638 -0.055,639 -0.04,640 -0.045,641 -0.045,642 0.088,643 0.076,644 0.069,645 0.063,646 0.013,647 0.066,648 -0.054,649 -0.028,650 -0.055,651 -0.051,652 -0.093,653 -0.051,654 -0.038,655 -0.062,656 -0.118,657 -0.078,658 -0.122,659 -0.102,660 -0.01,661 -0.095,662 -0.021,663 -0.059,664 -0.034,665 -0.045,666 1.372,667 6.093,668 0.848,669 40.185,670 0.98,671 1.117,672 5.297,673 28.053,674 0.666,675 3.638,676 3.932,677 4.205,678 4.454,679 4.727,680 4.745,681 4.89,682 4.997,683 5.088,684 5.118,685 8.502,686 0.615,687 438.66,688 3.638,689 5.165,690 6.009,691 6.87,692 7.73,693 8.598,694 9.464,695 10.336,696 11.208,697 12.082,698 3,701 1,706 1,715 13,720 5,722 18,727 1,736 1,741 67,743 19,744 3,745 37,747 71,748 30,749 18,750 5,751 13,752 1,756 5,757 6,767 4,768 1,770 6,772 19,773 11,774 1,777 1,782 1,786 1,793 34,794 3,796 3,802 2,808 0.8,809 1,829 5,833 1,855 1,859 4,868 33,876 10,880 1,881 2,893 1.5,896 1,901 15.5,902 11.733,903 7.278,904 4.458,907 2.954,908 1.357,909 1.005,910 6.998,911 11.218,912 3.871,913 4.388,914 4.903,915 5.403,916 5.928,917 6.009,918 6.348,919 6.615,920 6.893,921 7.103,922 0.9,923 51,924 12.301,926 5.229,927 0.026,929 7.419,931 24.663,933 21.131,936 1.919,937 63.333,941 400.217,942 167.025,943 6.249,945 25.145,948 167.025,949 425.362,950 6.249,952 23.63,953 123.191,954 30.278,955 21.319,957 400.217,959 400.217,960 173.274,961 25.145,964 329.591,965 95.772,968 29.879,969 143.395,972 400.217,973 31.394,974 167.025,977 400.217,978 43.834,979 129.44,981 25.145,982 400.217,983 31.394,984 167.025,986 0.572,987 0.333,988 0.181,989 0.104,990 24,991 9,992 0.099,993 7,994 1,995 1.071,996 4.63,997 300.28,998 0.071,999 28,1000 154.465,1005 22.072,1006 10.462,1007 5.433,1009 31.394,1010 27.666,1015 6.048,1018 598.636,1019 47,1024 13.093,1028 0.295,1031 65.669,1032 74.849,1034 0.207,1035 0.49,1036 0.695,1037 0.842,1038 0.877,1039 0.882,1040 5.097,1041 1.558,1042 5.958,1043 4.818,1044 4.615,1045 5.075,1046 1.906,1047 6.725,1048 4.584,1049 6.248,1050 1.422,1051 7.482,1052 3.951,1053 4.007,1054 4.59,1055 0.57,1056 7.526,1057 3.946,1058 7.514,1059 1.33,1060 9.106,1061 3.325,1062 6.159,1063 7.12,1064 2.047,1065 10.634,1066 6.088,1067 8.812,1068 1.254,1069 10.794,1070 3.037,1071 6.415,1072 7.478,1073 0.581,1074 12.32,1075 6.31,1076 10.145,1077 1,1078 12.525,1079 2.819,1080 7.978,1081 9.456,1082 2.367,1083 14.927,1084 7.862,1085 11.502,1086 1,1087 14.285,1088 2.275,1089 8.655,1090 10.234,1091 0.515,1092 16.993,1093 8.503,1094 12.879,1095 1,1096 16.068,1097 2.136,1098 9.958,1099 11.948,1100 2.767,1101 19.438,1102 9.791,1103 3.156,1104 0.759,1105 17.869,1106 2.136,1107 10.854,1108 12.963,1109 0.441,1110 21.678,1111 10.649,1112 2.763,1113 10.91,1114 19.682,1115 1.861,1116 12.042,1117 14.533,1118 3.207,1119 24.073,1120 11.817,1121 2.705,1122 8.601,1123 21.508,1124 4.044,1125 13.049,1126 15.689,1127 0.373,1128 26.391,1129 12.787,1130 2.479,1131 7.79,1132 23.343,1133 3.528,1134 14.192,1135 17.176,1136 3.669,1137 28.774,1138 13.904,1139 2.409,1140 7.613,1141 25.186,1142 3.457,1143 15.258,1144 18.42,1145 0.314,1146 31.129,1147 14.933,1148 2.072,1149 6.936,1150 27.037,1151 3.211,1152 16.385,1153 19.862,1154 4.143,1155 33.511,1156 16.031,1157 1.809,1158 5.867,1159 28.893,1160 2.634,1161 17.482,1162 21.161,1163 0.264,1164 35.883,1165 17.092,1166 17030,1167 23730,1168 25.83,1169 44.648,1170 55.084,1171 55.776,1172 55.139,1173 54.667,1174 54.628,1175 68.53,1176 6.333,1177 150.978,1178 53.867,1179 5.441,1180 5.611,1181 6.51,1182 5.161,1183 5.156,1184 7.044,1185 2.555,1186 18.066,1187 5.061,1188 7.385,1189 1.489,1190 1.507,1191 1.49,1192 1.477,1193 1.476,1194 1.852,1195 0.171,1196 4.08,1197 1.456,1198 4.058,1199 4.093,1200 3.999,1201 3.977,1202 7.427,1203 3.978,1204 3.946,1205 3.993,1206 3.862,1207 3.863,1208 4.809,1209 3.858,1210 3.853,1211 3.887,1212 3.779,1213 3.788,1214 4.751,1215 3.781,1216 3.814,1217 3.854,1218 3.705,1219 3.721,1220 4.642,1221 3.71,1222 3.599,1223 3.649,1224 3.489,1225 3.459,1226 4.317,1227 3.457,1228 3.406,1229 3.477,1230 3.252,1231 3.256,1232 4.057,1233 3.245,1234 3.19,1235 3.252,1236 3.057,1237 3.033,1238 3.894,1239 3.029,1240 3.111,1241 3.206,1242 2.937,1243 2.941,1244 3.757,1245 2.91,1246 0.12,1247 0.098,1248 0.181,1249 0.111,1250 0.085,1251 4.441,1252 0.109,1253 3.611,1254 0.035,1255 6.708,1256 0.295,1257 4.122,1258 0.083,1259 3.156,1260 4.044,1261 1.277,1262 10.91,1263 3.061,1264 2.007,1265 1.979,1266 2.122,1267 2.11,1268 1.485,1269 2.115,1270 1.934,1271 1.896,1272 2.093,1273 2.064,1274 1.368,1275 2.078,1276 1.86,1277 1.829,1278 2.015,1279 1.959,1280 1.169,1281 1.98,1282 1.826,1283 1.782,1284 1.973,1285 1.922,1286 1.06,1287 1.941,1288 1.586,1289 1.536,1290 1.803,1291 1.759,1292 1.041,1293 1.775,1294 1.413,1295 1.345,1296 1.672,1297 1.596,1298 0.913,1299 1.626,1300 1.182,1301 1.12,1302 1.513,1303 1.384,1304 0.825,1305 1.429,1306 1.153,1307 1.064,1308 1.453,1309 1.376,1310 0.683,1311 1.409,1312 4.317,1314 5.617,1316 7.122,1318 8.716,1320 10.356,1328 10.642,1332 0.666,1333 4.924,1340 41.186,1341 84.248,1342 199.223,1343 282.548,1344 342.163,1345 356.428,1346 358.428,1347 50.239,1348 8.264,1349 23.55,1350 23.55,1351 30,1352 12.623,1353 4.322,1354 3.459,1355 48.196,1356 169,1357 175,1358 0.135,1359 249.885,1360 437.45,1361 601.478,1362 55327,1364 22.46,1365 0.681,1366 0.59,1367 22.46,1368 19.457,1369 16.259,1370 0.439,1371 0.338,1372 12.44,1373 15.994,1374 12.159,1375 10.048,1376 16.259,1377 12.511,1378 14.171,1379 0.283,1380 0.192,1381 14.171,1382 9.601,1383 12.199,1384 0.185,1385 0.111,1386 12.199,1387 7.33,1388 10.064,1389 0.118,1390 0.063,1391 10.064,1392 5.379,1393 8.644,1394 0.077,1395 0.037,1396 8.644,1397 4.106,1398 0.22,1399 99.282,1400 0.197,1401 31.413,1402 0.349,1403 174,1404 367.026,1405 180.933,1406 367.563,1407 516.07,1408 348,1409 203,1410 384.27,1411 210.988,1412 395.202,1413 576.6,1414 375,1415 5.827}
{0 CHEMBL1084255,1 1.321,2 13.308,3 4.366,4 19.062,5 109.842,6 6.89,7 0.621,8 3.993,9 4.128,10 3.513,11 3.577,12 5.002,13 3.53,14 4.529,15 4.719,16 3.811,17 3.964,18 5.447,19 3.886,20 4.807,21 5.05,22 3.828,23 4.091,24 5.631,25 3.969,26 4.839,27 5.111,28 3.643,29 4.014,30 5.608,31 3.856,32 4.768,33 5.061,34 3.5,35 3.886,36 5.502,37 3.718,38 4.604,39 4.9,40 3.339,41 3.709,42 5.345,43 3.545,44 4.415,45 4.696,46 3.268,47 3.571,48 5.173,49 3.426,50 4.31,51 4.568,52 3.255,53 3.534,54 5.125,55 3.406,56 0.077,57 0.743,58 11.028,59 4.573,60 9.39,61 6.446,62 0.161,63 1.215,64 19.894,65 7.496,66 16.454,67 10.86,68 0.218,69 1.505,70 27.33,71 10.124,72 23.92,73 14.876,74 0.249,75 1.497,76 28.909,77 10.376,78 26.833,79 15.42,80 0.212,81 1.357,82 27.302,83 9.669,84 25.347,85 14.505,86 0.224,87 1.161,88 23.297,89 7.957,90 23.288,91 11.995,92 0.176,93 0.976,94 19.024,95 6.624,96 17.519,97 9.926,98 0.133,99 0.901,100 16.799,101 5.859,102 15.508,103 8.764,105 38,106 0.222,107 0.518,108 0.695,109 0.835,110 0.874,111 0.881,112 3.303,113 0.963,114 -5.52,115 -5.4,116 -5.04,121 44,123 2,127 4,144 11,145 3,148 1,149 1,168 1,176 14,180 6,183 1,185 2,187 15,192 7,195 1,197 1,200 11,206 7,209 1,214 8,219 5,224 1,227 6,231 1,232 2,237 4,239 3,243 1,244 1,249 4,251 2,256 2,261 3,264 4,269 5,274 1,277 6,281 1000,282 18.275,283 18.275,284 18.275,285 18.275,286 18.275,287 16.112,288 18.371,289 11.236,290 18.524,291 14.375,292 14.375,293 14.375,294 14.375,295 14.375,296 11.249,297 27.584,298 5.39,299 14.771,300 4.323,301 2.558,302 1.503,303 0.672,304 0.44,305 0.4,306 4.012,311 1,312 1,313 770,314 2.646,318 335.469,322 130.073,325 2.077,326 9.977,328 1,329 0.75,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.86,337 54,338 346,339 4.244,340 3.205,341 6.183,342 3.908,343 2.923,344 3.889,345 0.916,346 9.226,347 2.883,348 4.228,349 2.886,350 6.143,351 3.851,352 2.869,353 3.815,354 0.4,355 9.054,356 2.816,357 3.8,358 2.602,359 5.329,360 3.394,361 2.443,362 3.302,363 0.172,364 6.921,365 2.319,366 3.387,367 2.548,368 5.256,369 3.23,370 2.294,371 2.59,373 6.675,374 2.141,375 3.268,376 1.914,377 4.448,378 2.811,379 1.832,380 2.44,382 4.522,383 1.79,384 2.928,385 1.869,386 4.415,387 2.614,388 1.618,389 2.076,391 4.37,392 1.612,393 2.856,394 1.569,395 3.656,396 2.475,397 1.488,398 1.983,400 3.134,401 1.468,402 2.668,403 1.45,404 3.585,405 2.348,406 1.366,407 1.736,409 2.935,410 1.338,411 2.5,412 1.163,413 3.485,414 2.13,415 1.144,416 1.5,418 2.66,419 1.126,420 2.5,421 1,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.437,430 1,431 3.247,432 1.983,433 1,434 1.432,436 2.136,437 0.982,438 1.909,439 0.823,440 3.177,441 1.704,442 0.722,443 0.833,445 1.654,446 0.708,447 1.578,448 0.643,449 2.958,450 1.405,451 0.451,452 0.495,454 1.044,455 0.429,456 1.077,457 0.005,458 2.489,459 0.808,460 -0.167,461 -0.194,463 -0.399,464 -0.162,465 0.807,466 -0.307,467 2.289,468 0.527,469 -0.457,470 -0.545,472 -1.046,473 -0.449,474 12.6,475 0.485,476 0.376,477 0.014,478 34.75,479 1.337,480 18.5,481 0.712,482 16.25,483 0.625,484 19.098,485 0.735,486 27,487 0.54,488 22.055,489 0.848,490 6.893,491 0.265,492 5.989,493 0.23,496 0.23,501 0.818,502 1.191,503 0.856,504 1.034,505 0.727,506 0.963,507 1.194,508 1.132,509 1.031,510 1.04,511 0.837,512 1.024,513 1.083,514 1.079,515 1.03,516 1.041,517 0.88,518 1.032,519 1.153,520 1.031,521 1.092,522 1.045,523 1.082,524 1.06,525 1.112,526 0.995,527 0.985,528 0.957,529 1.073,530 0.959,531 1.231,532 0.917,533 1.011,534 0.907,535 1.168,536 0.934,537 1.138,538 0.978,539 0.974,540 0.933,541 1.041,542 0.938,543 1.316,544 1.117,545 1.067,546 1.027,547 1.29,548 1.026,549 3.5,550 0.082,551 2.222,552 0.75,553 0.809,554 0.403,555 0.341,556 0.146,557 0.082,558 0.114,559 10431,560 21782,561 2.196,562 48,564 19,567 1,569 2,570 2,572 1.679,573 2.167,574 3.692,575 -0.408,577 1,582 66.046,583 1.321,584 3.086,585 4.14,586 4.972,587 5.204,588 5.244,589 3.123,590 4.162,591 4.676,592 3.861,593 1254.73,594 8.036,595 17077,597 1,599 1,600 282.193,601 0.779,602 4.676,603 0.121,604 0.005,605 0.058,606 0.02,607 0.028,608 0.016,609 0.016,610 0.007,611 0.004,612 0.006,613 0.282,614 0.33,615 0.88,617 132.065,618 0.173,619 -0.037,620 0.072,621 -0.009,622 0.172,623 0.017,624 -0.038,625 -0.026,626 -0.07,627 -0.057,628 0.046,629 -0.065,630 -0.011,631 -0.061,632 -0.052,633 -0.067,634 0.063,635 -0.064,636 -0.052,637 -0.051,638 -0.099,639 -0.087,640 -0.051,641 -0.095,642 -0.044,643 -0.05,644 0.017,645 -0.001,646 -0.017,647 0.011,648 -0.023,649 0.048,650 0.002,651 0.032,652 -0.072,653 0.021,654 0.044,656 0.032,657 0.013,658 -0.029,659 0.02,660 -0.114,661 -0.103,662 -0.072,663 -0.077,664 -0.174,665 -0.072,666 0.825,667 1.32,668 0.846,669 26.651,670 0.985,671 1.123,672 4.293,673 18.43,674 0.673,675 3.401,676 3.664,677 3.912,678 4.127,679 4.357,680 4.29,681 4.369,682 4.394,683 4.419,684 4.357,685 7.774,686 0.627,687 344.5,688 3.401,689 4.905,690 5.733,691 6.575,692 7.415,693 8.261,694 9.106,695 9.953,696 10.799,697 11.648,698 8,701 1,703 1,708 2,715 11,716 2,720 5,722 18,734 1,741 50,743 18,744 2,745 29,747 53,748 22,749 16,750 3,751 9,756 4,757 5,767 1,770 2,772 16,773 6,790 1,793 24,794 4,795 1,796 4,802 4,808 0.75,821 1,829 4,833 1,855 1,859 3,868 26,876 6,877 1,881 1,901 12,902 8.767,903 5.806,904 3.141,907 3.157,908 1.425,909 1.011,910 5.344,911 10.584,912 3.664,913 4.197,914 4.734,915 5.249,916 5.775,917 5.789,918 6.117,919 6.351,920 6.56,921 6.656,922 0.889,923 37,924 9.597,926 3.978,927 0.026,929 7.417,931 19.044,933 15.717,936 1.917,937 49.833,939 1,940 1,941 270.735,942 132.372,943 54.461,948 132.372,949 270.735,950 54.461,952 13.492,953 104.239,954 51.337,955 15.438,956 2.328,957 270.735,959 270.735,960 186.833,964 223.651,965 47.084,968 19.373,969 116.123,970 51.337,972 270.735,973 54.461,974 132.372,977 270.735,978 28.133,979 107.363,980 18.011,981 33.326,982 270.735,983 54.461,984 132.372,986 0.564,987 0.326,988 0.177,989 0.099,990 18,991 6,992 0.113,993 6,994 1,995 1.091,996 4.141,997 204.823,998 0.091,999 22,1000 116.211,1005 16.898,1006 8.222,1007 4.363,1009 54.461,1010 22.957,1011 8.614,1015 5.832,1017 18.011,1018 457.568,1019 38,1031 49.243,1032 56.145,1034 0.234,1035 0.547,1036 0.734,1037 0.881,1038 0.922,1039 0.929,1040 4.856,1041 1.366,1042 5.659,1043 3.134,1044 4.344,1045 4.883,1046 1.038,1047 6.382,1048 4.292,1049 6.006,1050 1.144,1051 7.152,1052 2.935,1053 3.611,1054 4.311,1055 0.325,1056 7.081,1057 3.516,1058 7.263,1059 1,1060 8.746,1061 2.66,1062 5.844,1063 6.967,1064 0.697,1065 10.16,1066 5.74,1067 8.556,1068 1,1069 10.402,1070 2.275,1071 5.994,1072 7.264,1073 0.393,1074 11.74,1075 5.857,1076 9.883,1077 0.722,1078 12.101,1079 2.136,1080 7.608,1081 9.328,1082 0.537,1083 14.274,1084 7.463,1085 11.235,1086 0.451,1087 13.829,1088 1.654,1089 8.2,1090 10.065,1091 0.384,1092 16.212,1093 8.034,1094 12.605,1095 -0.167,1096 15.577,1097 1.044,1098 9.523,1099 11.831,1100 0.438,1101 18.548,1102 9.346,1103 2.923,1104 -0.457,1105 17.34,1106 -0.399,1107 10.344,1108 12.812,1109 0.351,1110 20.64,1111 10.154,1112 2.869,1113 9.226,1114 19.114,1115 -1.046,1116 11.527,1117 14.409,1118 0.366,1119 22.901,1120 11.324,1121 2.443,1122 9.054,1123 20.896,1124 3.889,1125 12.466,1126 15.534,1127 0.312,1128 25.059,1129 12.252,1130 2.294,1131 6.921,1132 22.685,1133 3.815,1134 13.581,1135 17.032,1136 0.309,1137 27.291,1138 13.355,1139 1.832,1140 6.675,1141 24.478,1142 3.302,1143 14.581,1144 18.244,1145 0.273,1146 29.479,1147 14.344,1148 1.618,1149 4.522,1150 26.276,1151 2.59,1152 15.666,1153 19.682,1154 0.262,1155 31.699,1156 15.416,1157 1.488,1158 4.37,1159 28.076,1160 2.44,1161 16.696,1162 20.947,1163 0.236,1164 33.901,1165 16.435,1166 9572,1167 13959,1168 20.455,1169 33.637,1170 42.537,1171 42.332,1172 42.45,1173 42.331,1174 42.302,1175 55.182,1176 2.978,1177 113.212,1178 41.223,1179 5.19,1180 5.205,1181 5.985,1182 4.952,1183 4.923,1184 6.889,1185 1.605,1186 15.535,1187 4.883,1189 1.467,1190 1.46,1191 1.464,1192 1.46,1193 1.459,1194 1.903,1195 0.103,1196 3.904,1197 1.421,1198 4.013,1199 4.055,1200 3.947,1201 3.934,1202 5.054,1203 3.931,1204 3.959,1205 3.994,1206 3.903,1207 3.886,1208 4.745,1209 3.885,1210 3.749,1211 3.804,1212 3.671,1213 3.61,1214 4.702,1215 3.619,1216 3.616,1217 3.679,1218 3.494,1219 3.468,1220 4.25,1221 3.465,1222 3.395,1223 3.471,1224 3.241,1225 3.241,1226 4.081,1227 3.229,1228 3.131,1229 3.214,1230 2.968,1231 2.974,1232 3.884,1233 2.962,1234 2.999,1235 3.073,1236 2.866,1237 2.865,1238 3.761,1239 2.861,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.696,1245 2.715,1246 0.146,1247 0.111,1248 0.213,1249 0.135,1250 0.101,1251 4.244,1252 0.134,1253 3.205,1254 0.032,1255 6.183,1256 0.318,1257 3.908,1258 0.099,1259 2.923,1260 3.889,1261 0.916,1262 9.226,1263 2.883,1264 1.979,1265 1.947,1266 2.108,1267 2.087,1268 1.375,1269 2.097,1270 1.94,1271 1.912,1272 2.044,1273 2.043,1274 1.181,1275 2.042,1276 1.718,1277 1.664,1278 1.908,1279 1.889,1280 1.111,1281 1.898,1282 1.602,1283 1.542,1284 1.771,1285 1.771,1286 0.871,1287 1.78,1288 1.4,1289 1.33,1290 1.662,1291 1.593,1292 0.804,1293 1.62,1294 1.14,1295 1.065,1296 1.439,1297 1.357,1298 0.686,1299 1.39,1300 0.995,1301 0.932,1302 1.28,1303 1.209,1304 0.477,1305 1.24,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.233,1311 1.107,1312 4.078,1314 5.352,1316 6.834,1318 8.406,1320 10.023,1328 6.513,1329 3.382,1333 2.536,1340 31.354,1341 66.046,1342 154.311,1343 207.02,1344 248.583,1345 260.193,1346 262.193,1347 29.497,1348 7.427,1349 41.05,1350 41.05,1351 24,1352 12.207,1353 4.248,1354 3.322,1355 38.564,1356 125,1357 100,1358 0.148,1359 193.059,1360 327.26,1361 462.824,1362 19943,1364 17.606,1365 0.677,1366 0.574,1367 17.606,1368 14.935,1369 12.882,1370 0.444,1371 0.321,1372 9.225,1373 12.577,1374 9.029,1375 7.493,1376 12.882,1377 9.305,1378 10.947,1379 0.288,1380 0.178,1381 10.947,1382 6.745,1383 9.331,1384 0.19,1385 0.1,1386 9.331,1387 4.901,1388 7.653,1389 0.125,1390 0.057,1391 7.653,1392 3.454,1393 6.395,1394 0.083,1395 0.032,1396 6.395,1397 2.465,1398 0.245,1399 79.268,1400 0.221,1401 26.121,1402 0.371,1403 134,1404 307.268,1405 141.299,1406 310.069,1407 438.45,1408 294,1409 154,1410 333.265,1411 162.271,1412 341.634,1413 492.82,1414 323,1415 4.456}
{0 CHEMBL1084256,1 1.449,2 15.886,3 4.308,4 18.561,5 136.029,6 7.306,7 0.462,8 4.245,9 4.361,10 3.802,11 3.834,12 5.313,13 3.802,14 4.804,15 4.971,16 4.163,17 4.251,18 5.842,19 4.191,20 5.116,21 5.329,22 4.231,23 4.397,24 6.124,25 4.306,26 5.211,27 5.458,28 4.129,29 4.332,30 6.283,31 4.221,32 5.103,33 5.352,34 4.061,35 4.25,36 6.107,37 4.153,38 5.012,39 5.226,40 4.093,41 4.263,42 6.14,43 4.167,44 5.038,45 5.26,46 3.999,47 4.244,48 6.139,49 4.127,50 4.934,51 5.164,52 3.874,53 4.113,54 5.973,55 4,56 0.023,57 0.894,58 12.935,59 5.977,60 7.114,61 7.851,62 0.274,63 1.523,64 24.748,65 10.099,66 22.495,67 13.758,68 0.204,69 1.949,70 36.265,71 14.336,72 40.758,73 19.618,74 0.51,75 2.039,76 42.851,77 15.249,78 103.988,79 21.018,80 0.439,81 1.824,82 38.741,83 13.635,84 76.966,85 18.628,86 0.523,87 1.705,88 33.605,89 12.989,90 82.29,91 17.484,92 0.467,93 1.685,94 35.081,95 13.698,96 98.596,97 18.341,98 0.446,99 1.537,100 32.037,101 11.807,102 71.405,103 15.931,104 10,105 54,106 0.229,107 0.508,108 0.657,109 0.783,110 0.835,111 0.845,112 3.588,113 0.939,114 -5.31,115 -5.19,116 -4.86,121 45.3,123 3,124 1,127 4,144 13,145 4,146 1,160 3,176 19,179 2,180 9,183 1,185 3,187 19,192 12,197 4,200 8,205 1,206 17,211 3,214 6,219 8,224 1,227 15,231 3,232 5,235 2,239 24,243 1,247 1,251 20,255 2,256 8,261 1,264 11,269 11,274 1,277 2,281 2514,282 23.999,283 23.999,284 23.999,285 23.999,286 23.999,287 21.547,288 25.921,289 14.284,290 24.202,291 19.256,292 19.256,293 19.256,294 19.256,295 19.256,296 15.487,297 31.577,298 6.842,299 19.535,300 4.551,301 2.79,302 1.846,303 1.047,304 0.719,305 0.656,306 4.297,312 1,313 1226,314 3.464,317 86.39,318 490.498,321 160.081,325 2.682,326 37.712,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 74.5,338 556,339 4.612,340 3.955,341 6.973,342 4.309,343 3.318,344 4.21,345 1.349,346 11.732,347 3.284,348 4.12,349 3.569,350 6.074,351 3.799,352 2.804,353 3.555,354 1.058,355 8.771,356 2.784,357 3.941,358 3.256,359 5.666,360 3.688,361 2.724,362 3.457,363 0.916,364 7.792,365 2.633,366 3.838,367 3.018,368 5.61,369 3.476,370 2.482,371 3.346,372 0.8,373 7.305,374 2.47,375 3.61,376 2.579,377 5.491,378 3.413,379 2.427,380 2.685,381 0.172,382 6.927,383 2.388,384 3.449,385 2.554,386 5.326,387 3.111,388 2.142,389 2.638,391 6.719,392 2.098,393 3.381,394 2.443,395 5.3,396 3.053,397 2.033,398 2.547,400 6.371,401 2.04,402 3.159,403 2.242,404 4.952,405 2.969,406 1.991,407 2.232,409 5.851,410 1.924,411 2.933,412 1.852,413 4.115,414 2.505,415 1.519,416 2.095,418 3.603,419 1.495,420 2.823,421 1.711,422 3.709,423 2.417,424 1.421,425 1.922,427 3.045,428 1.414,429 2.698,430 1.519,431 3.603,432 2.22,433 1.203,434 1.708,436 2.825,437 1.216,438 2.5,439 1.514,440 3.552,441 2,442 1,443 1.5,445 2.368,446 1,447 2.5,448 1.271,449 3.491,450 2,451 1,452 1.5,454 2.275,455 1,456 2.49,457 1.077,458 3.414,459 1.984,460 1,461 1.392,463 2.136,464 0.983,465 2.134,466 1,467 3.247,468 1.953,469 0.924,470 1,472 2.136,473 0.944,474 16.7,475 0.477,476 0.763,477 0.022,478 45.25,479 1.293,480 23,481 0.657,482 22.25,483 0.636,484 30.381,485 0.868,486 36.7,487 0.573,488 35.863,489 1.025,490 8.826,491 0.252,492 8.255,493 0.236,494 0.06,496 0.317,501 0.625,502 1.247,503 0.783,504 1.036,505 0.495,506 0.943,507 0.63,508 1.106,509 0.929,510 1.021,511 0.509,512 1.007,513 0.845,514 1.17,515 0.963,516 1.13,517 0.733,518 1.067,519 1.125,520 1.031,521 1.001,522 0.992,523 1.043,524 0.979,525 1.29,526 0.845,527 0.943,528 0.815,529 1.258,530 0.826,531 0.906,532 0.904,533 0.999,534 1.007,535 1.011,536 1.015,537 1.062,538 1.024,539 1.057,540 1.066,541 1.24,542 1.073,543 1.225,544 0.979,545 1.088,546 0.982,547 1.368,548 1.018,549 6,550 0.177,551 3.556,552 2.674,553 1.658,554 1.073,555 0.844,556 0.525,557 0.364,558 0.295,559 21652,560 51404,561 2.141,562 45.3,563 1,564 21,567 1,569 6,572 1.762,573 2.039,574 3.909,575 -0.43,582 92.727,583 1.449,584 3.21,585 4.154,586 4.953,587 5.281,588 5.344,589 3.383,590 4.729,591 5.094,592 4.107,593 2443.58,594 8.919,595 40244.7,600 384,601 1.271,602 5.076,603 0.154,604 0.006,605 0.066,606 0.049,607 0.035,608 0.023,609 0.018,610 0.013,611 0.01,612 0.009,613 0.382,614 0.17,615 0.75,616 0.45,617 193.488,618 -0.011,619 -0.112,620 0.054,621 -0.013,622 -0.007,623 0.02,624 0.119,625 0.009,626 -0.031,627 -0.036,628 0.053,629 -0.052,630 -0.004,631 -0.156,632 -0.01,633 -0.142,634 0.049,635 -0.084,636 0.01,637 -0.06,638 0.022,639 -0.03,640 0.089,641 -0.004,642 -0.11,643 0.127,644 0.088,645 0.147,646 -0.071,647 0.148,648 0.167,649 0.09,650 -0.016,651 -0.022,652 0.086,653 -0.041,654 0.05,655 -0.084,656 -0.063,657 -0.066,658 0.003,659 -0.081,660 -0.043,661 -0.013,662 -0.077,663 -0.005,664 -0.125,665 -0.044,666 1.972,667 6.033,668 0.771,669 50.423,670 0.996,671 1.118,672 4.079,673 16.635,674 0.676,675 3.689,676 4.007,677 4.29,678 4.543,679 4.771,680 4.804,681 4.963,682 5.112,683 5.198,684 5.273,685 8.985,686 0.642,687 467.61,688 3.689,689 5.231,690 6.084,691 6.957,692 7.827,693 8.708,694 9.586,695 10.473,696 11.359,697 12.251,698 4.7,701 1,705 2,715 13,720 5,722 18,729 1,741 64,743 21,744 3,745 39,747 68,748 29,749 18,750 5,751 13,752 3,756 5,757 6,767 2,768 1,770 3,772 21,773 8,774 1,777 3,782 3,786 3,793 29,794 6,795 1,796 6,802 3,805 1,808 0.8,809 3,828 1,829 4,832 1,855 1,859 4,868 35,876 7,877 1,880 1,881 2,893 4.7,896 3,901 17.167,902 11.317,903 7.667,904 4.042,907 2.931,908 1.349,909 1.003,910 6.965,911 11.327,912 3.951,913 4.483,914 5.016,915 5.52,916 6.008,917 6.107,918 6.445,919 6.662,920 6.89,921 7.051,922 0.909,923 55,924 13.085,926 5.731,927 0.026,929 7.748,931 25.151,933 21.299,936 2.248,937 78.667,941 329.591,942 168.831,943 24.259,945 75.435,948 168.831,949 405.026,950 24.259,952 37.161,953 123.191,954 89.549,955 18.623,957 329.591,959 329.591,960 193.09,961 75.435,964 258.964,965 146.061,968 40.286,969 152.804,972 329.591,973 99.694,974 168.831,977 329.591,978 45.639,979 129.44,980 18.011,981 75.435,982 329.591,983 99.694,984 168.831,986 0.58,987 0.341,988 0.183,989 0.1,990 26,991 11,992 0.103,993 7,994 1,995 1.074,996 4.764,997 325.376,998 0.074,999 27,1000 167.525,1005 23.32,1006 10.453,1007 5.308,1009 99.694,1010 24.384,1015 3.06,1017 18.011,1018 598.116,1019 51,1024 38.57,1028 -0.873,1031 63.774,1032 71.521,1034 0.241,1035 0.535,1036 0.692,1037 0.825,1038 0.88,1039 0.891,1040 5.19,1041 1.991,1042 6.057,1043 6.371,1044 4.691,1045 5.17,1046 2.256,1047 6.855,1048 4.666,1049 6.364,1050 1.519,1051 7.606,1052 5.851,1053 4.205,1054 4.808,1055 0.57,1056 7.722,1057 4.168,1058 7.649,1059 1.421,1060 9.258,1061 3.603,1062 6.271,1063 7.242,1064 2.404,1065 10.847,1066 6.214,1067 8.966,1068 1.203,1069 10.97,1070 3.045,1071 6.635,1072 7.709,1073 1.104,1074 12.601,1075 6.57,1076 10.318,1077 1,1078 12.725,1079 2.825,1080 8.146,1081 9.614,1082 2.675,1083 15.256,1084 8.063,1085 11.696,1086 1,1087 14.509,1088 2.368,1089 8.921,1090 10.496,1091 1.71,1092 17.412,1093 8.833,1094 13.095,1095 1,1096 16.316,1097 2.275,1098 10.211,1099 12.164,1100 3.034,1101 19.923,1102 10.106,1103 3.318,1104 0.924,1105 18.143,1106 2.136,1107 11.193,1108 13.276,1109 2.357,1110 22.258,1111 11.082,1112 2.804,1113 11.732,1114 19.985,1115 2.136,1116 12.398,1117 14.823,1118 3.46,1119 24.728,1120 12.274,1121 2.724,1122 8.771,1123 21.842,1124 4.21,1125 13.482,1126 16.068,1127 3.014,1128 27.137,1129 13.352,1130 2.482,1131 7.792,1132 23.71,1133 3.555,1134 14.662,1135 17.553,1136 3.934,1137 29.598,1138 14.52,1139 2.427,1140 7.305,1141 25.59,1142 3.457,1143 15.797,1144 18.876,1145 3.667,1146 32.038,1147 15.648,1148 2.142,1149 6.927,1150 27.478,1151 3.346,1152 16.973,1153 20.33,1154 4.444,1155 34.497,1156 16.814,1157 2.033,1158 6.719,1159 29.375,1160 2.685,1161 18.135,1162 21.699,1163 4.311,1164 36.949,1165 17.967,1166 19995,1167 31047,1168 26.641,1169 43.279,1170 58.783,1171 61.159,1172 59.242,1173 58.107,1174 58.092,1175 73.997,1176 8.592,1177 164.867,1178 57.456,1179 5.612,1180 5.955,1181 6.775,1182 5.345,1183 5.318,1184 7.21,1185 2.549,1186 18.938,1187 5.284,1188 13.487,1189 1.507,1190 1.568,1191 1.519,1192 1.49,1193 1.49,1194 1.897,1195 0.22,1196 4.227,1197 1.473,1198 4.058,1199 4.083,1200 4.022,1201 3.965,1202 7.447,1203 3.974,1204 3.944,1205 3.985,1206 3.863,1207 3.864,1208 7.428,1209 3.859,1210 3.888,1211 3.922,1212 3.822,1213 3.813,1214 7.408,1215 3.809,1216 3.819,1217 3.865,1218 3.706,1219 3.719,1220 4.782,1221 3.708,1222 3.573,1223 3.617,1224 3.515,1225 3.379,1226 4.749,1227 3.406,1228 3.364,1229 3.416,1230 3.245,1231 3.179,1232 4.623,1233 3.189,1234 3.181,1235 3.243,1236 3.081,1237 2.99,1238 4.323,1239 2.998,1240 3.111,1241 3.206,1242 2.956,1243 2.941,1244 3.988,1245 2.91,1246 0.118,1247 0.101,1248 0.179,1249 0.11,1250 0.085,1251 4.612,1252 0.108,1253 3.955,1254 0.035,1255 6.973,1256 0.301,1257 4.309,1258 0.084,1259 3.318,1260 4.21,1261 1.349,1262 11.732,1263 3.284,1264 1.934,1265 1.909,1266 2.1,1267 2.068,1268 1.482,1269 2.082,1270 1.928,1271 1.896,1272 2.023,1273 2.023,1274 1.165,1275 2.022,1276 1.862,1277 1.837,1278 2.013,1279 1.956,1280 1.123,1281 1.977,1282 1.84,1283 1.79,1284 1.964,1285 1.937,1286 1.052,1287 1.948,1288 1.521,1289 1.462,1290 1.737,1291 1.768,1292 1.011,1293 1.753,1294 1.257,1295 1.227,1296 1.513,1297 1.489,1298 0.825,1299 1.474,1300 1.222,1301 1.183,1302 1.465,1303 1.466,1304 0.691,1305 1.429,1306 1.153,1307 1.064,1308 1.341,1309 1.376,1310 0.44,1311 1.429,1312 4.369,1314 5.687,1315 2.398,1316 7.2,1317 4.949,1318 8.795,1319 7.195,1320 10.433,1328 6.391,1329 2.821,1332 0.499,1333 3.815,1340 41.057,1341 92.727,1342 205.411,1343 265.855,1344 316.98,1345 338,1346 342,1347 74.194,1348 8.396,1349 71.41,1350 71.41,1351 29,1352 12.78,1353 4.459,1354 3.7,1355 52.567,1356 186,1357 197,1358 0.133,1359 249.224,1360 443.45,1361 599.867,1362 62868,1364 24.2,1365 0.691,1366 0.561,1367 24.2,1368 19.652,1369 17.081,1370 0.438,1371 0.313,1372 12.096,1373 16.627,1374 11.857,1375 9.792,1376 17.081,1377 12.212,1378 15.204,1379 0.282,1380 0.173,1381 15.204,1382 9.336,1383 13.198,1384 0.183,1385 0.097,1386 13.198,1387 6.982,1388 10.896,1389 0.117,1390 0.053,1391 10.896,1392 4.946,1393 8.829,1394 0.075,1395 0.031,1396 8.829,1397 3.605,1398 0.217,1399 105.773,1400 0.194,1401 33.047,1402 0.345,1403 186,1404 500.83,1405 199.526,1406 488.338,1407 664.33,1408 456,1409 219,1410 481.796,1411 233.471,1412 491.056,1413 720.92,1414 463,1415 8.658}
{0 CHEMBL1084257,1 1.31,2 14.077,3 4.871,4 23.73,5 111.177,6 6.664,7 0.643,8 4.009,9 4.15,10 3.488,11 3.57,12 5.033,13 3.516,14 4.526,15 4.73,16 3.742,17 3.923,18 5.444,19 3.835,20 4.779,21 5.029,22 3.736,23 4.029,24 5.611,25 3.894,26 4.835,27 5.129,28 3.598,29 3.954,30 5.592,31 3.795,32 4.734,33 5.014,34 3.528,35 3.896,36 5.522,37 3.739,38 4.697,39 4.986,40 3.389,41 3.825,42 5.433,43 3.644,44 4.59,45 4.891,46 3.253,47 3.682,48 5.312,49 3.502,50 4.428,51 4.713,52 3.224,53 3.585,54 5.174,55 3.421,56 0.082,57 0.761,58 11.77,59 4.766,60 10.927,61 6.841,62 0.172,63 1.196,64 20.525,65 7.502,66 17.896,67 11.114,68 0.207,69 1.435,70 26.875,71 9.857,72 25.4,73 14.711,74 0.24,75 1.438,76 29.096,77 9.865,78 28.775,79 15.134,80 0.242,81 1.322,82 26.154,83 9.048,84 27.163,85 13.723,86 0.183,87 1.235,88 25.113,89 9.071,90 24.215,91 13.678,92 0.218,93 1.105,94 22.809,95 7.827,96 23.28,97 11.923,98 0.158,99 0.956,100 19.119,101 6.99,102 17.852,103 10.47,104 2,105 35,106 0.219,107 0.503,108 0.673,109 0.798,110 0.848,111 0.855,112 3.302,113 0.982,114 -5.52,115 -5.4,116 -5.04,121 42.3,123 2,126 1,127 3,144 12,145 2,148 1,149 1,168 1,176 14,180 5,183 1,185 2,187 13,192 8,195 1,197 2,200 9,206 7,214 6,219 6,222 1,224 1,227 8,232 2,237 2,239 6,243 1,244 1,249 3,251 4,255 1,256 1,261 3,264 4,269 1,274 2,277 5,281 1076,282 18.035,283 18.035,284 18.035,285 18.035,286 18.035,287 15.872,288 16.551,289 11.363,290 18.283,291 13.887,292 13.887,293 13.887,294 13.887,295 13.887,296 10.826,297 23.961,298 5.487,299 14.274,300 4.391,301 2.695,302 1.679,303 0.928,304 0.63,305 0.591,306 3.993,311 1,312 1,313 786,314 3.317,318 306.874,325 2.237,326 9.4,328 1,329 0.75,330 1,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.84,337 54,338 366,339 4.244,340 2.943,341 6.143,342 3.851,343 2.87,344 3.889,345 0.916,346 9.054,347 2.816,348 3.927,349 2.886,350 5.484,351 3.597,352 2.625,353 3.455,354 0.4,355 7.392,356 2.559,357 3.8,358 2.571,359 5.327,360 3.391,361 2.44,362 3.302,363 0.172,364 6.919,365 2.317,366 3.297,367 2.366,368 4.819,369 3.111,370 2.161,371 2.589,373 5.517,374 2.044,375 3.267,376 1.878,377 4.448,378 2.816,379 1.838,380 2.363,382 4.523,383 1.795,384 2.852,385 1.651,386 3.707,387 2.571,388 1.588,389 1.966,391 3.305,392 1.56,393 2.682,394 1.497,395 3.561,396 2.383,397 1.394,398 1.745,400 2.98,401 1.376,402 2.544,403 1.196,404 3.492,405 2.155,406 1.169,407 1.55,409 2.695,410 1.151,411 2.5,412 1,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.5,421 1,422 3.247,423 2,424 1,425 1.5,427 2.136,428 1,429 2.5,430 1,431 3.247,432 1.983,433 1,434 1.5,436 2.136,437 0.982,438 1.856,439 0.911,440 3.082,441 1.725,442 0.768,443 0.82,445 1.679,446 0.733,447 1.23,448 0.242,449 2.654,450 1.019,451 0.053,452 0.059,454 0.125,455 0.051,456 1.025,457 0.014,458 2.357,459 0.759,460 -0.217,461 -0.252,463 -0.506,464 -0.211,465 0.76,466 -0.345,467 2.074,468 0.499,469 -0.474,470 -0.557,472 -1.039,473 -0.459,474 12.6,475 0.485,476 0.362,477 0.014,478 34.25,479 1.317,480 18.5,481 0.712,482 15.75,483 0.606,484 18.92,485 0.728,486 27.6,487 0.531,488 22.335,489 0.859,490 6.934,491 0.267,492 5.876,493 0.226,494 0.04,496 0.19,501 0.837,502 1.254,503 0.908,504 1.097,505 0.794,506 1.024,507 1.252,508 1.119,509 1.058,510 1.038,511 0.854,512 1.033,513 1.026,514 1.15,515 1.043,516 1.1,517 0.912,518 1.078,519 1.249,520 0.97,521 0.969,522 0.898,523 1.027,524 0.908,525 1.257,526 0.946,527 1.06,528 0.953,529 1.198,530 0.984,531 1.03,532 1.035,533 1.024,534 1.028,535 1.082,536 1.026,537 1.194,538 0.875,539 1.02,540 0.904,541 1.152,542 0.939,543 0.872,544 1.004,545 0.946,546 0.993,547 0.865,548 0.979,549 3.5,550 0.074,551 1.778,552 0.875,553 0.604,554 0.458,555 0.28,556 0.165,557 0.098,558 0.087,559 10286,560 21975,561 2.105,562 50,564 21,567 1,569 4,572 1.679,573 2.053,574 3.77,575 -0.408,582 68.104,583 1.31,584 3.005,585 4.022,586 4.772,587 5.071,588 5.109,589 3.229,590 4.085,591 4.674,592 3.956,593 1285.54,594 8.033,595 18106.1,597 1,600 296.423,601 0.929,602 4.669,603 0.125,604 0.004,605 0.051,606 0.027,607 0.022,608 0.018,609 0.013,610 0.009,611 0.005,612 0.005,613 0.277,614 0.33,615 0.88,616 0.362,617 133.57,618 0.181,619 -0.066,620 0.059,621 -0.034,622 0.138,623 -0.004,624 -0.048,625 0.001,626 -0.069,627 -0.04,628 0.055,629 -0.054,630 0.027,631 -0.131,632 -0.06,633 -0.117,634 0.059,635 -0.1,636 -0.072,637 -0.003,638 0.032,639 0.041,640 0.018,641 0.045,642 -0.072,643 0.046,644 -0.062,645 -0.006,646 -0.107,647 -0.028,648 -0.047,649 -0.091,650 -0.041,651 -0.064,652 -0.084,653 -0.054,654 -0.035,655 0.078,656 -0.02,657 0.033,658 -0.129,659 0.012,660 0.113,661 -0.052,662 0.038,663 -0.025,664 0.052,665 -0.004,666 0.831,667 1.302,668 0.692,669 29.491,670 0.983,671 1.126,672 4.293,673 18.43,674 0.662,675 3.367,676 3.584,677 3.761,678 3.932,679 4.094,680 3.97,681 4.025,682 4.025,683 3.97,684 3.97,685 8.256,686 0.613,687 346.52,688 3.367,689 4.844,690 5.638,691 6.454,692 7.261,693 8.081,694 8.894,695 9.717,696 10.533,697 11.358,698 7.7,701 1,703 1,708 2,715 12,716 2,720 4,722 18,734 1,741 52,743 18,744 2,745 28,747 54,748 22,749 16,750 2,751 10,756 3,757 3,770 2,772 16,773 6,793 26,794 4,795 1,796 4,802 4,808 1,821 1,829 3,855 1,859 3,864 1,868 26,876 5,877 1,881 1,901 12.667,902 9.35,903 5.944,904 3.165,907 2.89,908 1.419,909 0.974,910 6.888,911 9.778,912 3.638,913 4.135,914 4.632,915 5.137,916 5.648,917 5.597,918 5.936,919 6.165,920 6.334,921 6.509,922 1,923 33,924 9.574,926 3.828,927 0.026,929 7.449,931 18.868,933 14.908,936 1.949,937 50.667,939 1,940 1,941 294.278,942 144.953,943 54.461,948 144.953,949 294.278,950 54.461,951 8.396,952 11.386,953 113.715,954 51.337,955 12.252,956 2.328,957 294.278,959 294.278,960 199.414,964 247.193,965 47.084,968 17.267,969 130.81,970 51.337,972 294.278,973 54.461,974 144.953,977 294.278,978 22.842,979 125.236,980 18.011,981 33.326,982 294.278,983 54.461,984 144.953,986 0.553,987 0.306,988 0.164,989 0.088,990 14,991 5,992 0.167,993 9,995 1,996 4.152,997 190.689,999 18,1000 111.457,1005 18.252,1006 9.813,1007 6.048,1009 54.461,1010 24.728,1011 8.574,1015 4.191,1017 18.011,1018 493.692,1019 37,1031 51.127,1032 58.56,1034 0.23,1035 0.527,1036 0.706,1037 0.837,1038 0.889,1039 0.896,1040 4.8,1041 1.169,1042 5.541,1043 2.98,1044 4.263,1045 4.82,1046 1.038,1047 6.201,1048 4.209,1049 5.934,1050 1,1051 6.995,1052 2.695,1053 3.434,1054 4.111,1055 0.325,1056 6.763,1057 3.319,1058 7.169,1059 1,1060 8.547,1061 2.275,1062 5.7,1063 6.865,1064 0.697,1065 9.831,1066 5.591,1067 8.438,1068 1,1069 10.162,1070 2.136,1071 5.74,1072 7.011,1073 0.393,1074 11.306,1075 5.573,1076 9.74,1077 0.768,1078 11.82,1079 2.136,1080 7.39,1081 9.178,1082 0.537,1083 13.814,1084 7.229,1085 11.066,1086 0.053,1087 13.509,1088 1.679,1089 7.876,1090 9.773,1091 0.384,1092 15.676,1093 7.671,1094 12.412,1095 -0.217,1096 15.221,1097 0.125,1098 9.219,1099 11.625,1100 0.438,1101 17.98,1102 9.014,1103 2.87,1104 -0.474,1105 16.949,1106 -0.506,1107 9.951,1108 12.487,1109 0.351,1110 20.02,1111 9.713,1112 2.625,1113 9.054,1114 18.69,1115 -1.039,1116 11.137,1117 14.148,1118 0.366,1119 22.248,1120 10.893,1121 2.44,1122 7.392,1123 20.442,1124 3.889,1125 12.006,1126 15.181,1127 0.312,1128 24.37,1129 11.736,1130 2.161,1131 6.919,1132 22.201,1133 3.455,1134 13.112,1135 16.723,1136 0.309,1137 26.573,1138 12.833,1139 1.838,1140 5.517,1141 23.968,1142 3.302,1143 14.056,1144 17.867,1145 0.273,1146 28.733,1147 13.756,1148 1.588,1149 4.523,1150 25.741,1151 2.589,1152 15.124,1153 19.333,1154 0.262,1155 30.93,1156 14.811,1157 1.394,1158 3.305,1159 27.518,1160 2.363,1161 16.11,1162 20.551,1163 0.236,1164 33.109,1165 15.779,1166 9774,1167 14425,1168 19.356,1169 34.398,1170 40.225,1171 39.794,1172 40.248,1173 39.855,1174 39.812,1175 52.477,1176 2.978,1177 101.47,1178 38.77,1179 5.185,1180 4.943,1181 5.945,1182 4.893,1183 4.87,1184 6.889,1185 1.605,1186 15.117,1187 4.816,1188 6.64,1189 1.437,1190 1.421,1191 1.437,1192 1.423,1193 1.422,1194 1.874,1195 0.106,1196 3.624,1197 1.385,1198 3.984,1199 4.024,1200 3.93,1201 3.902,1202 5.054,1203 3.901,1204 3.919,1205 3.957,1206 3.844,1207 3.851,1208 4.756,1209 3.845,1210 3.761,1211 3.819,1212 3.674,1213 3.622,1214 4.702,1215 3.628,1216 3.664,1217 3.727,1218 3.537,1219 3.519,1220 4.283,1221 3.515,1222 3.433,1223 3.519,1224 3.276,1225 3.23,1226 4.136,1227 3.23,1228 3.106,1229 3.196,1230 2.954,1231 2.933,1232 3.885,1233 2.928,1234 2.961,1235 3.053,1236 2.773,1237 2.811,1238 3.786,1239 2.792,1240 2.866,1241 2.936,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.152,1247 0.105,1248 0.219,1249 0.138,1250 0.102,1251 4.244,1252 0.139,1253 2.943,1254 0.033,1255 6.143,1256 0.323,1257 3.851,1258 0.101,1259 2.87,1260 3.889,1261 0.916,1262 9.054,1263 2.816,1264 1.941,1265 1.912,1266 2.056,1267 2.048,1268 1.313,1269 2.047,1270 1.916,1271 1.884,1272 2.043,1273 2.018,1274 1.155,1275 2.031,1276 1.741,1277 1.682,1278 1.959,1279 1.91,1280 1.113,1281 1.929,1282 1.643,1283 1.588,1284 1.797,1285 1.816,1286 0.903,1287 1.818,1288 1.415,1289 1.331,1290 1.69,1291 1.648,1292 0.789,1293 1.668,1294 1.102,1295 1.021,1296 1.438,1297 1.35,1298 0.633,1299 1.384,1300 0.998,1301 0.91,1302 1.357,1303 1.222,1304 0.5,1305 1.274,1306 0.89,1307 0.824,1308 1.181,1309 1.062,1310 0.261,1311 1.107,1312 4.043,1314 5.283,1316 6.715,1318 8.229,1320 9.784,1322 2.175,1328 5.279,1329 3.355,1333 2.365,1340 31.88,1341 68.104,1342 156.278,1343 209.139,1344 248.158,1345 263.668,1346 265.668,1347 33.678,1348 6.889,1349 41.05,1350 41.05,1351 18,1352 11.937,1353 4.248,1354 3.322,1355 44.971,1356 132,1357 106,1358 0.161,1359 200.452,1360 339.62,1361 480.864,1362 10142,1364 18.029,1365 0.693,1366 0.589,1367 18.029,1368 15.305,1369 12.81,1370 0.457,1371 0.327,1372 9.082,1373 12.497,1374 8.827,1375 7.429,1376 12.81,1377 9.166,1378 10.662,1379 0.305,1380 0.186,1381 10.662,1382 6.527,1383 8.478,1384 0.202,1385 0.102,1386 8.478,1387 4.302,1388 6.766,1389 0.135,1390 0.058,1391 6.766,1392 2.887,1393 5.318,1394 0.09,1395 0.032,1396 5.318,1397 1.885,1398 0.27,1399 78.917,1400 0.227,1401 26.43,1402 0.398,1403 126,1404 297.268,1405 132.966,1406 301.012,1407 419.28,1408 284,1409 140,1410 312.913,1411 147.938,1412 323.334,1413 459.31,1414 303,1415 4.959}
{0 CHEMBL1084262,1 1.395,2 19.385,3 8.574,4 73.519,5 162.354,6 6.815,7 0.488,8 4.442,9 4.577,10 3.934,11 4.023,12 5.375,13 3.96,14 5.028,15 5.222,16 4.275,17 4.447,18 5.903,19 4.342,20 5.348,21 5.608,22 4.323,23 4.577,24 6.144,25 4.436,26 5.341,27 5.601,28 4.256,29 4.538,30 6.156,31 4.39,32 5.326,33 5.595,34 4.163,35 4.51,36 6.084,37 4.345,38 5.332,39 5.605,40 4.158,41 4.488,42 6.116,43 4.308,44 5.316,45 5.6,46 4.044,47 4.433,48 6.063,49 4.232,50 5.224,51 5.512,52 3.898,53 4.328,54 5.958,55 4.12,56 0.083,57 1.131,58 18.422,59 7.814,60 9.315,61 11.062,62 0.227,63 1.888,64 34.682,65 13.884,66 24.184,67 19.884,68 0.372,69 2.374,70 51.305,71 18.332,72 42.827,73 26.548,74 0.486,75 2.366,76 50.73,77 17.414,78 51.277,79 25.513,80 0.369,81 2.29,82 48.768,83 17.781,84 41.235,85 25.873,86 0.469,87 2.226,88 50.384,89 18.444,90 49.94,91 26.492,92 0.395,93 2.108,94 52.259,95 18.392,96 48.84,97 26.164,98 0.409,99 1.894,100 50.125,101 16.752,102 46.813,103 23.768,104 5,105 57,106 0.212,107 0.505,108 0.675,109 0.813,110 0.863,111 0.885,112 3.692,113 1.063,114 -5.82,115 -5.68,116 -5.29,121 41.3,123 13,127 2,144 7,145 4,146 2,148 2,153 1,154 1,160 1,176 19,180 5,183 1,185 8,187 22,192 4,197 8,200 16,206 5,209 1,211 9,214 17,219 2,224 4,227 17,232 3,235 1,236 1,237 4,239 19,244 4,249 4,251 16,256 3,261 4,264 16,269 2,274 1,277 17,281 3298,282 27.087,283 27.087,284 27.087,285 27.087,286 27.087,287 24.463,288 21.925,289 16.736,290 27.425,291 21.317,292 21.317,293 21.317,294 21.317,295 21.317,296 17.208,297 19.791,298 8.063,299 21.898,300 4.927,301 3.002,302 1.879,303 0.975,304 0.644,305 0.5,306 4.404,308 1,313 1674,314 4.528,317 107.929,318 451.597,321 199.192,322 366.579,325 2.88,326 24.718,329 0.5,330 0.5,331 0.67,332 0.9,333 0.5,334 0.67,335 0.5,336 0.6,337 81.333,338 756,339 4.651,340 3.58,341 6.833,342 4.214,343 3.235,344 4.582,345 1.907,346 11.364,347 3.165,348 4.524,349 3.373,350 6.526,351 4.049,352 3.062,353 4.473,354 0.4,355 10.265,356 3.022,357 3.99,358 3.127,359 6.004,360 3.58,361 2.61,362 3.534,363 0.149,364 8.477,365 2.532,366 3.668,367 2.943,368 5.427,369 3.389,370 2.383,371 2.961,373 6.886,374 2.385,375 3.584,376 2.562,377 5.173,378 3.193,379 2.252,380 2.872,382 6.283,383 2.104,384 3.384,385 2.272,386 4.979,387 2.984,388 1.996,389 2.705,391 5.765,392 1.973,393 3.365,394 2.192,395 4.899,396 2.914,397 1.985,398 2.699,400 5.573,401 1.902,402 3.046,403 1.95,404 4.183,405 2.872,406 1.9,407 2.318,409 3.865,410 1.705,411 2.925,412 1.814,413 4.121,414 2.672,415 1.681,416 1.929,418 3.761,419 1.664,420 2.741,421 1.612,422 3.985,423 2.518,424 1.546,425 1.772,427 3.516,428 1.501,429 2.657,430 1.546,431 3.879,432 2.437,433 1.451,434 1.723,436 3.373,437 1.423,438 2.629,439 1.436,440 3.683,441 2.346,442 1.363,443 1.65,445 3.132,446 1.337,447 2.49,448 1.429,449 3.595,450 2.249,451 1.256,452 1.49,454 2.885,455 1.246,456 2.386,457 1.3,458 3.573,459 2.194,460 1.2,461 1.38,463 2.781,464 1.192,465 2.166,466 1.229,467 3.38,468 2.013,469 1.041,470 1.1,472 2.339,473 1.007,474 19.148,475 0.491,476 0.657,477 0.017,478 44,479 1.128,480 20,481 0.513,482 24,483 0.615,484 42.916,485 1.1,486 42.652,487 0.533,488 29.536,489 0.757,490 7.572,491 0.194,492 11.615,493 0.298,494 0.055,496 0.261,501 0.764,502 1.237,503 0.792,504 1.032,505 0.562,506 1.003,507 0.69,508 1.254,509 0.859,510 1.108,511 0.538,512 1.094,513 0.986,514 1.034,515 0.88,516 0.932,517 0.936,518 0.923,519 1.128,520 1.025,521 0.935,522 0.971,523 1.093,524 1,525 0.97,526 1.012,527 0.865,528 0.973,529 0.912,530 1.006,531 0.846,532 0.998,533 0.86,534 1.009,535 1.035,536 1.023,537 1.09,538 0.968,539 1.04,540 1.007,541 1.191,542 1.008,543 1.258,544 0.907,545 1.24,546 1.017,547 1.28,548 1.01,549 5,550 0.119,551 3.556,552 2.167,553 1.653,554 0.778,555 0.675,556 0.315,557 0.228,558 0.147,559 34740,560 75298,561 2.142,562 51.3,563 18,564 11,565 1,567 3,568 4,569 4,572 1.781,573 2.071,574 4.108,575 0.671,582 111.63,583 1.395,584 3.32,585 4.443,586 5.347,587 5.678,588 5.822,589 3.464,590 4.978,591 5.265,592 4.409,593 3266.99,594 9.203,595 66141.7,600 505.754,601 1.09,602 5.245,603 0.116,604 0.004,605 0.062,606 0.037,607 0.032,608 0.017,609 0.015,610 0.008,611 0.007,612 0.005,613 0.304,614 0.17,615 0.5,616 0.355,617 229.914,618 -0.026,619 -0.012,620 0.032,621 0.034,622 0.028,623 0.045,624 0.069,625 -0.132,626 -0.009,627 -0.082,628 0.097,629 -0.073,630 -0.024,631 -0.023,632 0.05,633 0.046,634 -0.007,635 0.06,636 -0.043,637 0.011,638 -0.035,639 -0.02,640 -0.047,641 -0.037,642 -0.062,643 -0.006,644 -0.017,645 -0.015,646 -0.026,647 -0.033,648 0.11,649 -0.032,650 0.032,651 -0.038,652 0.05,653 -0.041,654 -0.048,655 -0.042,656 -0.014,657 -0.022,658 -0.031,659 -0.024,660 -0.113,661 0.011,662 -0.09,663 -0.023,664 -0.091,665 -0.026,666 1.515,667 5.242,668 0.59,669 52.63,670 0.986,671 1.125,672 4.586,673 21.029,674 0.66,675 3.784,676 4.06,677 4.331,678 4.605,679 4.836,680 4.905,681 5.011,682 5.106,683 5.081,684 4.97,685 11.607,686 0.608,687 545.23,688 3.784,689 5.303,690 6.142,691 7.004,692 7.866,693 8.741,694 9.616,695 10.5,696 11.383,697 12.272,698 5,703 1,705 1,706 1,708 1,714 4,715 8,716 1,717 1,720 5,722 21,734 1,740 1,741 80,743 22,744 2,745 43,747 84,748 33,749 17,750 5,751 7,756 5,757 9,758 1,767 4,770 13,772 18,773 15,777 1,782 1,786 1,793 41,794 4,795 3,796 6,797 1,802 4,808 0.4,809 1,822 1,824 1,828 1,829 4,832 1,833 2,843 1,859 2,865 1,868 39,876 15,877 2,892 1,893 1.3,896 1,901 18.833,902 13.926,903 8.75,904 5.601,907 4.037,908 1.478,909 1.003,910 10.179,911 12.485,912 4.016,913 4.593,914 5.199,915 5.82,916 6.375,917 6.704,918 7.066,919 7.416,920 7.514,921 7.409,922 1,923 58,924 14.516,926 6.097,927 0.026,929 7.469,931 28.996,933 24.483,936 1.969,937 76.778,941 447.302,942 142.066,943 69.593,944 39.149,945 25.145,948 142.066,949 511.595,950 69.593,952 55.171,953 75.381,954 64.646,955 39.461,956 13.915,957 435.531,958 39.149,959 447.302,960 211.658,961 25.145,962 39.149,964 400.217,965 72.229,968 76.857,969 100.004,970 73.945,972 447.302,973 94.737,974 181.214,977 447.302,978 66.684,979 75.381,980 52.807,981 81.079,982 447.302,983 94.737,984 181.214,986 0.563,987 0.323,988 0.181,989 0.102,990 25,991 10,992 0.167,993 14,994 3,995 1.261,996 5.32,997 351.06,998 0.261,999 23,1000 204.131,1005 27.988,1006 14.185,1007 7.553,1008 4.563,1009 77.952,1010 16.372,1011 4.927,1012 3.284,1015 5.926,1017 52.807,1018 723.254,1019 54.5,1024 12.242,1028 0.152,1031 78.847,1032 90.035,1034 0.221,1035 0.525,1036 0.703,1037 0.846,1038 0.898,1039 0.921,1040 5.232,1041 1.9,1042 6.084,1043 5.573,1044 4.745,1045 5.281,1046 1.997,1047 6.86,1048 4.694,1049 6.405,1050 1.681,1051 7.609,1052 3.865,1053 4.111,1054 5.085,1055 1.593,1056 7.711,1057 4.016,1058 7.699,1059 1.546,1060 9.244,1061 3.761,1062 6.282,1063 7.519,1064 2.907,1065 10.864,1066 6.19,1067 9.037,1068 1.451,1069 10.95,1070 3.516,1071 6.567,1072 8.26,1073 3.032,1074 12.65,1075 6.444,1076 10.418,1077 1.363,1078 12.706,1079 3.373,1080 8.131,1081 10.136,1082 4.038,1083 15.302,1084 8.004,1085 11.83,1086 1.256,1087 14.496,1088 3.132,1089 8.874,1090 11.303,1091 4.409,1092 17.455,1093 8.724,1094 13.265,1095 1.2,1096 16.312,1097 2.885,1098 10.184,1099 12.961,1100 5.25,1101 19.944,1102 10.024,1103 3.235,1104 1.041,1105 18.146,1106 2.781,1107 11.15,1108 14.321,1109 5.75,1110 22.244,1111 10.969,1112 3.062,1113 11.364,1114 19.994,1115 2.339,1116 12.357,1117 15.891,1118 6.501,1119 24.678,1120 12.163,1121 2.61,1122 10.265,1123 21.854,1124 4.582,1125 13.427,1126 17.336,1127 7.068,1128 27.04,1129 13.212,1130 2.383,1131 8.477,1132 23.722,1133 4.473,1134 14.597,1135 18.87,1136 7.771,1137 29.457,1138 14.365,1139 2.252,1140 6.886,1141 25.597,1142 3.534,1143 15.714,1144 20.352,1145 8.374,1146 31.846,1147 15.461,1148 1.996,1149 6.283,1150 27.478,1151 2.961,1152 16.871,1153 21.872,1154 9.051,1155 34.259,1156 16.6,1157 1.985,1158 5.765,1159 29.363,1160 2.872,1161 18.009,1162 23.371,1163 9.674,1164 36.662,1165 17.718,1166 31845,1167 47107,1168 29.701,1169 52.802,1170 62.489,1171 63.978,1172 63.718,1173 62.641,1174 62.427,1175 79.709,1176 4.912,1177 170.603,1178 60.676,1179 5.629,1180 5.58,1181 6.769,1182 5.255,1183 5.235,1184 7.582,1185 3.306,1186 18.902,1187 5.165,1188 12.775,1189 1.453,1190 1.488,1191 1.482,1192 1.457,1193 1.452,1194 1.854,1195 0.114,1196 3.968,1197 1.411,1198 4.142,1199 4.176,1200 4.132,1201 4.064,1202 7.429,1203 4.068,1204 4.099,1205 4.129,1206 4.075,1207 4.027,1208 5.04,1209 4.031,1210 3.81,1211 3.874,1212 3.779,1213 3.684,1214 4.966,1215 3.667,1216 3.736,1217 3.78,1218 3.661,1219 3.658,1220 4.685,1221 3.642,1222 3.693,1223 3.756,1224 3.565,1225 3.527,1226 4.311,1227 3.526,1228 3.579,1229 3.64,1230 3.443,1231 3.444,1232 4.276,1233 3.43,1234 3.432,1235 3.503,1236 3.378,1237 3.273,1238 4.212,1239 3.271,1240 3.349,1241 3.413,1242 3.292,1243 3.196,1244 4.151,1245 3.193,1246 0.108,1247 0.083,1248 0.159,1249 0.098,1250 0.075,1251 4.651,1252 0.107,1253 3.58,1254 0.044,1255 6.833,1256 0.264,1257 4.214,1258 0.074,1259 3.235,1260 4.582,1261 1.907,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.149,1267 2.158,1268 1.439,1269 2.159,1270 1.941,1271 1.918,1272 2.055,1273 2.02,1274 1.413,1275 2.028,1276 1.809,1277 1.747,1278 2.04,1279 1.972,1280 1.261,1281 2.001,1282 1.75,1283 1.709,1284 1.933,1285 1.894,1286 1.235,1287 1.905,1288 1.699,1289 1.645,1290 1.916,1291 1.863,1292 1.145,1293 1.89,1294 1.63,1295 1.566,1296 1.854,1297 1.808,1298 1.049,1299 1.831,1300 1.446,1301 1.377,1302 1.707,1303 1.677,1304 0.993,1305 1.687,1306 1.329,1307 1.269,1308 1.542,1309 1.556,1310 0.761,1311 1.564,1312 4.466,1314 5.753,1315 2.398,1316 7.236,1317 4.727,1318 8.826,1319 6.823,1320 10.482,1323 6.25,1328 16.198,1329 6.863,1340 48.637,1341 111.63,1342 265.612,1343 355.434,1344 427.78,1345 454.244,1346 465.754,1347 69.448,1348 8.447,1349 69.81,1350 69.81,1351 29,1352 12.803,1353 4.524,1354 3.644,1355 62.467,1356 284,1357 228,1358 0.102,1359 300.583,1360 515.66,1361 725.183,1362 86425,1363 1.3,1364 26.865,1365 0.689,1366 0.608,1367 27.365,1368 23.715,1369 19.187,1370 0.446,1371 0.354,1372 14.797,1373 18.54,1374 14.486,1375 12.004,1376 19.475,1377 15.232,1378 16.438,1379 0.288,1380 0.199,1381 16.846,1382 11.328,1383 13.723,1384 0.183,1385 0.11,1386 13.985,1387 8.234,1388 11.553,1389 0.117,1390 0.061,1391 11.788,1392 6.017,1393 9.5,1394 0.076,1395 0.035,1396 9.731,1397 4.361,1398 0.174,1399 120.643,1400 0.183,1401 37.059,1402 0.246,1403 200,1404 450.583,1405 224.95,1406 477.855,1407 657.99,1408 450,1409 232,1410 468.668,1411 251.246,1412 487.297,1413 713.96,1414 464,1415 8.357}
{0 CHEMBL1084263,1 1.383,2 20.2,3 9.031,4 81.55,5 166.955,6 6.738,7 0.477,8 4.475,9 4.612,10 3.957,11 4.054,12 5.399,13 3.989,14 5.064,15 5.26,16 4.293,17 4.478,18 5.928,19 4.369,20 5.387,21 5.65,22 4.341,23 4.608,24 6.17,25 4.464,26 5.38,27 5.643,28 4.275,29 4.57,30 6.182,31 4.419,32 5.365,33 5.637,34 4.184,35 4.544,36 6.111,37 4.375,38 5.372,39 5.647,40 4.18,41 4.522,42 6.142,43 4.339,44 5.356,45 5.643,46 4.067,47 4.469,48 6.091,49 4.265,50 5.268,51 5.558,52 3.925,53 4.368,54 5.989,55 4.158,56 0.088,57 1.171,58 19.306,59 8.167,60 9.836,61 11.597,62 0.236,63 1.953,64 36.228,65 14.486,66 25.157,67 20.797,68 0.383,69 2.455,70 53.25,71 19.086,72 43.77,73 27.711,74 0.496,75 2.446,76 52.701,77 18.167,78 52.144,79 26.689,80 0.379,81 2.369,82 50.693,83 18.533,84 42.144,85 27.024,86 0.48,87 2.305,88 52.278,89 19.186,90 50.884,91 27.613,92 0.403,93 2.186,94 54.036,95 19.118,96 49.466,97 27.257,98 0.416,99 1.973,100 51.847,101 17.479,102 47.263,103 24.862,104 5,105 58,106 0.209,107 0.494,108 0.661,109 0.797,110 0.85,111 0.875,112 3.716,113 1.073,114 -6,115 -5.85,116 -5.44,121 41,123 14,127 2,144 7,145 4,146 2,148 2,153 1,154 1,160 1,176 20,180 5,183 1,185 8,187 23,192 4,197 8,200 17,206 5,209 1,211 9,214 18,219 2,224 4,227 18,232 3,235 1,236 1,237 4,239 20,244 4,249 4,251 17,256 3,261 4,264 16,269 2,274 3,277 17,281 3582,282 27.794,283 27.794,284 27.794,285 27.794,286 27.794,287 25.17,288 21.925,289 17.236,290 28.132,291 21.817,292 21.817,293 21.817,294 21.817,295 21.817,296 17.708,297 19.791,298 8.313,299 22.398,300 4.992,301 3.104,302 1.995,303 1.097,304 0.747,305 0.578,306 4.428,308 1,313 1786,314 4.637,317 112.797,318 471.917,321 207.979,322 383.103,325 3.02,326 24.774,329 0.5,330 0.5,331 0.67,332 0.9,333 0.5,334 0.67,335 0.5,336 0.6,337 83.333,338 808,339 4.651,340 3.58,341 6.833,342 4.214,343 3.235,344 4.582,345 1.907,346 11.364,347 3.165,348 4.524,349 3.373,350 6.526,351 4.049,352 3.062,353 4.473,354 0.4,355 10.265,356 3.022,357 3.99,358 3.127,359 6.004,360 3.58,361 2.61,362 3.534,363 0.149,364 8.477,365 2.532,366 3.668,367 2.943,368 5.427,369 3.389,370 2.383,371 2.961,373 6.886,374 2.385,375 3.584,376 2.562,377 5.173,378 3.193,379 2.252,380 2.872,382 6.283,383 2.104,384 3.384,385 2.272,386 4.979,387 2.985,388 1.996,389 2.705,391 5.765,392 1.973,393 3.365,394 2.192,395 4.899,396 2.925,397 1.986,398 2.699,400 5.573,401 1.917,402 3.046,403 1.956,404 4.183,405 2.876,406 1.915,407 2.318,409 3.884,410 1.72,411 2.936,412 1.836,413 4.121,414 2.718,415 1.725,416 1.939,418 3.762,419 1.698,420 2.77,421 1.655,422 3.987,423 2.518,424 1.546,425 1.792,427 3.571,428 1.501,429 2.66,430 1.546,431 3.895,432 2.459,433 1.477,434 1.724,436 3.386,437 1.443,438 2.646,439 1.465,440 3.718,441 2.407,442 1.415,443 1.679,445 3.18,446 1.4,447 2.493,448 1.433,449 3.6,450 2.249,451 1.257,452 1.493,454 2.961,455 1.246,456 2.455,457 1.304,458 3.584,459 2.203,460 1.212,461 1.451,463 2.802,464 1.2,465 2.191,466 1.297,467 3.439,468 2.103,469 1.125,470 1.171,472 2.493,473 1.095,474 19.648,475 0.491,476 0.657,477 0.016,478 44.5,479 1.113,480 20,481 0.5,482 24.5,483 0.613,484 44.909,485 1.123,486 43.952,487 0.53,488 29.687,489 0.742,490 7.572,491 0.189,492 12.115,493 0.303,494 0.053,496 0.254,501 0.766,502 1.244,503 0.806,504 1.045,505 0.563,506 1.016,507 0.691,508 1.261,509 0.87,510 1.12,511 0.538,512 1.105,513 0.979,514 1.032,515 0.879,516 0.932,517 0.928,518 0.923,519 1.118,520 1.023,521 0.932,522 0.97,523 1.083,524 0.997,525 0.963,526 1.01,527 0.864,528 0.972,529 0.904,530 1.003,531 0.841,532 0.997,533 0.859,534 1.007,535 1.026,536 1.019,537 1.081,538 0.968,539 1.033,540 1.004,541 1.18,542 1.005,543 1.241,544 0.909,545 1.225,546 1.013,547 1.262,548 1.006,549 5,550 0.119,551 3.556,552 2.167,553 1.653,554 0.778,555 0.675,556 0.315,557 0.228,558 0.147,559 37935,560 81191,561 2.138,562 51.8,563 20,564 11,565 1,567 3,568 4,569 4,572 1.787,573 2.069,574 4.164,575 0.657,582 114.825,583 1.383,584 3.271,585 4.38,586 5.278,587 5.628,588 5.797,589 3.496,590 4.922,591 5.301,592 4.471,593 3487.13,594 9.273,595 72986,600 529.128,601 1.076,602 5.283,603 0.114,604 0.004,605 0.061,606 0.037,607 0.031,608 0.016,609 0.015,610 0.008,611 0.007,612 0.005,613 0.298,614 0.17,615 0.5,616 0.349,617 238.435,618 -0.023,619 -0.012,620 0.033,621 0.033,622 0.032,623 0.044,624 0.07,625 -0.135,626 -0.012,627 -0.086,628 0.099,629 -0.077,630 -0.019,631 -0.021,632 0.053,633 0.046,634 -0.002,635 0.061,636 -0.036,637 0.011,638 -0.029,639 -0.017,640 -0.04,641 -0.032,642 -0.057,643 -0.005,644 -0.012,645 -0.013,646 -0.021,647 -0.029,648 0.113,649 -0.03,650 0.034,651 -0.035,652 0.054,653 -0.038,654 -0.044,655 -0.04,656 -0.011,657 -0.02,658 -0.026,659 -0.022,660 -0.106,661 0.01,662 -0.084,663 -0.021,664 -0.085,665 -0.023,666 1.511,667 5.239,668 0.575,669 56.25,670 0.985,671 1.126,672 4.767,673 22.722,674 0.657,675 3.807,676 4.078,677 4.344,678 4.615,679 4.844,680 4.913,681 5.017,682 5.112,683 5.088,684 4.977,685 12.098,686 0.604,687 559.26,688 3.807,689 5.323,690 6.159,691 7.018,692 7.878,693 8.752,694 9.625,695 10.507,696 11.388,697 12.277,698 4.8,703 1,705 1,706 1,708 1,714 4,715 8,716 1,717 1,720 5,722 21,734 1,740 1,741 83,743 22,744 2,745 44,747 87,748 34,749 17,750 5,751 7,756 5,757 9,758 1,767 4,770 14,772 18,773 16,777 1,782 1,786 1,793 43,794 4,795 3,796 6,797 1,802 4,808 0.4,809 1,822 1,824 1,828 1,829 4,832 1,833 2,843 1,859 2,865 1,868 40,876 16,877 2,892 1,893 1.2,896 1,901 19.333,902 14.426,903 9,904 5.851,907 4.016,908 1.474,909 0.999,910 10.779,911 12.489,912 4.034,913 4.603,914 5.205,915 5.822,916 6.377,917 6.705,918 7.067,919 7.417,920 7.515,921 7.41,922 0.923,923 59,924 14.894,926 6.24,927 0.026,929 7.457,931 29.813,933 25.149,936 1.957,937 78.278,941 470.844,942 144.6,943 69.593,944 39.149,945 25.145,948 144.6,949 535.138,950 69.593,952 57.706,953 75.381,954 64.646,955 39.461,956 13.915,957 459.073,958 39.149,959 470.844,960 214.193,961 25.145,962 39.149,964 423.76,965 72.229,968 79.392,969 100.004,970 73.945,972 470.844,973 94.737,974 183.749,977 470.844,978 69.219,979 75.381,980 52.807,981 81.079,982 470.844,983 94.737,984 183.749,986 0.561,987 0.321,988 0.18,989 0.101,990 25,991 10,992 0.172,993 15,994 3,995 1.261,996 5.434,997 359.802,998 0.261,999 23,1000 210.877,1005 28.952,1006 14.892,1007 8.021,1008 4.576,1009 77.952,1010 16.391,1011 4.931,1012 3.286,1015 5.946,1017 52.807,1018 749.33,1019 55.5,1024 12.239,1028 0.156,1031 81.73,1032 93.451,1034 0.217,1035 0.513,1036 0.687,1037 0.828,1038 0.883,1039 0.909,1040 5.248,1041 1.915,1042 6.098,1043 5.573,1044 4.762,1045 5.291,1046 1.997,1047 6.868,1048 4.712,1049 6.417,1050 1.725,1051 7.619,1052 3.884,1053 4.111,1054 5.085,1055 1.593,1056 7.711,1057 4.016,1058 7.707,1059 1.546,1060 9.251,1061 3.762,1062 6.293,1063 7.522,1064 2.907,1065 10.866,1066 6.202,1067 9.043,1068 1.477,1069 10.955,1070 3.571,1071 6.567,1072 8.26,1073 3.032,1074 12.65,1075 6.444,1076 10.422,1077 1.415,1078 12.709,1079 3.386,1080 8.137,1081 10.137,1082 4.038,1083 15.302,1084 8.01,1085 11.832,1086 1.257,1087 14.498,1088 3.18,1089 8.874,1090 11.303,1091 4.409,1092 17.455,1093 8.724,1094 13.267,1095 1.212,1096 16.313,1097 2.961,1098 10.186,1099 12.962,1100 5.25,1101 19.944,1102 10.027,1103 3.235,1104 1.125,1105 18.147,1106 2.802,1107 11.15,1108 14.321,1109 5.75,1110 22.244,1111 10.969,1112 3.062,1113 11.364,1114 19.995,1115 2.493,1116 12.359,1117 15.891,1118 6.501,1119 24.678,1120 12.164,1121 2.61,1122 10.265,1123 21.854,1124 4.582,1125 13.427,1126 17.336,1127 7.068,1128 27.04,1129 13.212,1130 2.383,1131 8.477,1132 23.722,1133 4.473,1134 14.597,1135 18.87,1136 7.771,1137 29.457,1138 14.365,1139 2.252,1140 6.886,1141 25.597,1142 3.534,1143 15.714,1144 20.352,1145 8.374,1146 31.846,1147 15.461,1148 1.996,1149 6.283,1150 27.478,1151 2.961,1152 16.871,1153 21.872,1154 9.051,1155 34.259,1156 16.6,1157 1.986,1158 5.765,1159 29.363,1160 2.872,1161 18.009,1162 23.371,1163 9.674,1164 36.662,1165 17.718,1166 34807,1167 51163,1168 30.394,1169 54.563,1170 63.787,1171 65.284,1172 64.925,1173 63.959,1174 63.745,1175 81.033,1176 4.912,1177 173.254,1178 61.993,1179 5.631,1180 5.58,1181 6.778,1182 5.255,1183 5.235,1184 7.582,1185 3.306,1186 18.902,1187 5.165,1188 13.045,1189 1.45,1190 1.484,1191 1.476,1192 1.454,1193 1.449,1194 1.842,1195 0.112,1196 3.938,1197 1.409,1198 4.143,1199 4.176,1200 4.132,1201 4.065,1202 7.429,1203 4.068,1204 4.1,1205 4.129,1206 4.075,1207 4.027,1208 5.041,1209 4.031,1210 3.817,1211 3.881,1212 3.779,1213 3.693,1214 4.966,1215 3.676,1216 3.736,1217 3.78,1218 3.666,1219 3.659,1220 4.685,1221 3.643,1222 3.707,1223 3.77,1224 3.576,1225 3.546,1226 4.311,1227 3.541,1228 3.602,1229 3.662,1230 3.46,1231 3.463,1232 4.277,1233 3.453,1234 3.463,1235 3.535,1236 3.392,1237 3.311,1238 4.218,1239 3.302,1240 3.37,1241 3.433,1242 3.306,1243 3.21,1244 4.153,1245 3.211,1246 0.106,1247 0.081,1248 0.155,1249 0.096,1250 0.074,1251 4.651,1252 0.104,1253 3.58,1254 0.043,1255 6.833,1256 0.258,1257 4.214,1258 0.072,1259 3.235,1260 4.582,1261 1.907,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.149,1267 2.158,1268 1.44,1269 2.159,1270 1.941,1271 1.918,1272 2.062,1273 2.02,1274 1.422,1275 2.029,1276 1.816,1277 1.755,1278 2.04,1279 1.977,1280 1.289,1281 2.007,1282 1.75,1283 1.709,1284 1.95,1285 1.904,1286 1.24,1287 1.917,1288 1.71,1289 1.654,1290 1.923,1291 1.863,1292 1.15,1293 1.891,1294 1.651,1295 1.591,1296 1.862,1297 1.826,1298 1.073,1299 1.846,1300 1.489,1301 1.417,1302 1.756,1303 1.707,1304 1.035,1305 1.724,1306 1.353,1307 1.293,1308 1.576,1309 1.587,1310 0.819,1311 1.59,1312 4.489,1314 5.771,1315 2.398,1316 7.251,1317 4.727,1318 8.837,1319 6.823,1320 10.489,1323 6.254,1328 17.626,1329 6.873,1340 50.164,1341 114.825,1342 271.503,1343 363.528,1344 438.109,1345 467.128,1346 481.128,1347 72.626,1348 8.473,1349 69.81,1350 69.81,1351 29,1352 12.809,1353 4.524,1354 3.644,1355 64.965,1356 304,1357 242,1358 0.099,1359 310.175,1360 532.96,1361 748.588,1362 91108,1363 1.2,1364 27.572,1365 0.689,1366 0.611,1367 28.072,1368 24.422,1369 19.687,1370 0.447,1371 0.358,1372 15.297,1373 19.04,1374 14.976,1375 12.421,1376 19.975,1377 15.732,1378 16.791,1379 0.29,1380 0.201,1381 17.2,1382 11.682,1383 13.973,1384 0.184,1385 0.112,1386 14.235,1387 8.484,1388 11.73,1389 0.117,1390 0.062,1391 11.965,1392 6.194,1393 9.625,1394 0.076,1395 0.036,1396 9.856,1397 4.486,1398 0.17,1399 123.643,1400 0.181,1401 37.95,1402 0.237,1403 204,1404 454.583,1405 228.95,1406 482.016,1407 663.75,1408 454,1409 236,1410 472.668,1411 255.246,1412 491.459,1413 719.72,1414 468,1415 7.66}
{0 CHEMBL1084275,1 1.421,2 13.185,3 4.826,4 23.292,5 113.524,6 7.143,7 0.533,8 4.039,9 4.157,10 3.629,11 3.683,12 5.002,13 3.604,14 4.615,15 4.797,16 4.01,17 4.099,18 5.501,19 3.988,20 4.898,21 5.124,22 3.939,23 4.221,24 5.747,25 4.064,26 4.969,27 5.233,28 3.788,29 4.162,30 5.748,31 3.975,32 4.874,33 5.147,34 3.749,35 4.056,36 5.657,37 3.88,38 4.799,39 5.053,40 3.653,41 4.003,42 5.67,43 3.83,44 4.703,45 4.956,46 3.518,47 3.923,48 5.527,49 3.734,50 4.615,51 4.877,52 3.444,53 3.833,54 5.368,55 3.629,56 0.042,57 0.726,58 12.133,59 5.464,60 6.218,61 7.268,62 0.145,63 1.281,64 23.925,65 9.368,66 13.717,67 12.654,68 0.226,69 1.615,70 34.285,71 13.129,72 30.239,73 17.222,74 0.251,75 1.641,76 35.386,77 13.863,78 34.59,79 18.724,80 0.241,81 1.479,82 33.152,83 12.726,84 28.58,85 17.172,86 0.272,87 1.369,88 30.3,89 11.801,90 37.383,91 15.708,92 0.244,93 1.251,94 27.571,95 10.883,96 32.738,97 14.519,98 0.165,99 1.155,100 25.301,101 10.048,102 24.821,103 13.432,104 5,105 41,106 0.236,107 0.544,108 0.741,109 0.821,110 0.83,111 0.83,112 3.339,113 1.066,114 -4.73,115 -4.64,116 -4.36,121 43.4,122 1,123 4,124 1,127 3,144 8,145 2,148 1,154 1,159 1,163 1,176 13,180 8,187 15,192 8,200 11,206 6,214 9,219 5,227 13,231 1,232 1,239 13,243 1,244 3,251 11,256 3,264 8,269 4,277 5,281 1128,282 18.463,283 18.463,284 18.463,285 18.463,286 18.463,287 16.459,288 16.293,289 11.038,290 18.819,291 14.848,292 14.848,293 14.848,294 14.848,295 14.848,296 11.825,297 17.324,298 5.327,299 15.426,300 4.307,301 2.449,302 1.265,303 0.783,304 0.731,305 0.731,306 4.04,311 1,312 1,313 786,314 3.082,317 72.127,318 274.102,321 125.205,325 2.118,326 16.689,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 56,338 356,339 4.499,340 3.605,341 6.302,342 3.988,343 3.036,344 4.441,345 1.277,346 9.635,347 2.933,348 4.017,349 3.018,350 5.934,351 3.704,352 2.737,353 3.462,354 0.916,355 8.298,356 2.643,357 3.94,358 2.999,359 5.616,360 3.632,361 2.653,362 3.456,363 0.172,364 7.785,365 2.568,366 3.6,367 2.557,368 5.329,369 3.451,370 2.454,371 2.655,373 6.94,374 2.442,375 3.33,376 2.244,377 4.955,378 3.032,379 2.079,380 2.594,382 5.869,383 1.971,384 3.168,385 2.211,386 4.806,387 2.85,388 1.925,389 2.284,391 5.311,392 1.752,393 3.022,394 1.774,395 4.448,396 2.466,397 1.527,398 2.235,400 4.381,401 1.439,402 2.845,403 1.52,404 4.142,405 2.426,406 1.436,407 1.951,409 3.642,410 1.4,411 2.782,412 1.517,413 3.592,414 2.368,415 1.367,416 1.825,418 3.038,419 1.355,420 2.5,421 1.089,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2,430 1.077,431 3.247,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.913,439 1,440 3.19,441 1.616,442 0.609,443 0.72,445 1.432,446 0.607,447 1.743,448 0.456,449 3.071,450 1.288,451 0.366,452 0.509,454 0.947,455 0.331,456 1.216,457 0.363,458 2.766,459 1.025,460 0.04,461 0.045,463 0.099,464 0.039,465 0.886,466 -0.087,467 2.394,468 0.49,469 -0.493,470 -0.57,472 -1.167,473 -0.467,474 13.467,475 0.499,476 0.588,477 0.022,478 32,479 1.185,480 15.5,481 0.574,482 16.5,483 0.611,484 25.492,485 0.944,486 28.533,487 0.538,488 19.576,489 0.725,490 5.753,491 0.213,492 7.417,493 0.275,494 0.062,496 0.29,501 0.647,502 1.168,503 0.799,504 0.966,505 0.537,506 0.966,507 0.885,508 1.089,509 0.881,510 0.951,511 0.568,512 0.962,513 1.128,514 1.077,515 1.148,516 1.103,517 0.945,518 1.079,519 1.108,520 0.975,521 0.895,522 0.938,523 1.163,524 1.013,525 0.928,526 0.895,527 0.787,528 0.886,529 1.068,530 0.902,531 1.191,532 0.947,533 0.946,534 0.965,535 1.478,536 1.004,537 1.053,538 0.989,539 1.006,540 1.017,541 1.337,542 1.071,543 0.961,544 1.007,545 0.956,546 0.99,547 1.105,548 1.051,549 5.5,550 0.131,551 2.444,552 1.417,553 1.142,554 0.67,555 0.453,556 0.267,557 0.168,558 0.148,559 10899,560 24173,561 2.142,562 49.1,563 3,564 14,568 5,569 4,572 1.692,573 2.051,574 3.678,575 -0.843,582 75.326,583 1.421,584 3.279,585 4.463,586 4.945,587 4.997,588 4.997,589 3.134,590 4.385,591 4.727,592 3.847,593 1350.46,594 8.157,595 18475.2,597 1,600 303.58,601 1.218,602 4.706,603 0.183,604 0.007,605 0.06,606 0.037,607 0.037,608 0.022,609 0.016,610 0.011,611 0.008,612 0.007,613 0.389,614 0.33,615 1,616 0.454,617 137.794,618 0.035,619 -0.077,620 0.081,621 0.025,622 0.016,623 0.029,624 -0.006,625 -0.009,626 0.072,627 0.028,628 0.044,629 0.011,630 -0.105,631 -0.058,632 -0.136,633 -0.105,634 0.005,635 -0.103,636 -0.057,637 -0.039,638 -0.018,639 -0.021,640 -0.037,641 -0.044,642 0.068,643 0.03,644 0.108,645 0.042,646 0.007,647 0.075,648 0.037,649 -0.014,650 -0.039,651 -0.032,652 -0.023,653 -0.035,654 0.018,655 -0.054,656 -0.093,657 -0.071,658 -0.083,659 -0.093,660 -0.056,661 -0.071,662 -0.03,663 -0.034,664 -0.119,665 -0.067,666 1.394,667 5.617,668 0.778,669 28.848,670 0.985,671 1.115,672 3.499,673 12.245,674 0.684,675 3.434,676 3.738,677 3.97,678 4.205,679 4.407,680 4.382,681 4.5,682 4.585,683 4.5,684 4.533,685 7.645,686 0.628,687 378.58,688 3.434,689 4.963,690 5.796,691 6.655,692 7.503,693 8.364,694 9.218,695 10.081,696 10.938,697 11.802,698 3.8,701 1,708 1,714 2,715 8,716 1,719 1,720 3,722 16,727 1,741 53,743 17,744 2,745 30,747 56,748 23,749 13,750 4,751 8,752 1,756 4,757 5,763 1,767 2,768 1,770 4,772 14,773 9,774 1,777 1,782 1,786 1,793 26,794 3,796 4,797 1,802 2,808 0.75,809 1,828 1,829 3,832 1,855 1,859 3,862 1,864 1,868 27,876 7,880 1,881 1,887 1,893 1.9,896 1,901 13.167,902 9.733,903 5.889,904 3.456,907 2.798,908 1.374,909 0.997,910 5.755,911 10.279,912 3.689,913 4.259,914 4.805,915 5.366,916 5.852,917 6.048,918 6.426,919 6.706,920 6.411,921 6.406,922 0.889,923 38,924 10.052,926 4.261,927 0.026,929 7.488,931 19.994,933 16.984,936 1.988,937 53.667,939 1,940 1,941 306.049,942 147.692,943 19.91,945 25.145,947 31.278,948 116.415,949 331.194,950 19.91,951 8.825,952 16.455,953 75.81,954 47.994,955 11.64,956 0.746,957 337.326,959 306.049,960 136.324,961 25.145,962 31.278,964 258.964,965 72.229,968 31.478,969 88.06,970 16.786,971 31.278,972 306.049,973 45.055,974 147.692,977 306.049,978 63.057,979 87.759,981 41.93,982 306.049,983 45.055,984 147.692,986 0.578,987 0.328,988 0.174,989 0.097,990 20,991 8,992 0.107,993 6,994 1,995 1.095,996 4.129,997 220.162,998 0.095,999 21,1000 120.382,1001 1,1005 18.466,1006 8.414,1007 4.691,1008 2.118,1009 45.055,1010 16.626,1011 4.473,1014 1.662,1015 3.282,1018 498.796,1019 39,1024 12.617,1028 0.273,1031 52.211,1032 59.108,1034 0.248,1035 0.572,1036 0.779,1037 0.863,1038 0.872,1039 0.872,1040 4.913,1041 1.436,1042 5.759,1043 4.381,1044 4.419,1045 4.945,1046 1.752,1047 6.509,1048 4.351,1049 6.091,1050 1.367,1051 7.276,1052 3.642,1053 3.892,1054 4.663,1055 0.325,1056 7.235,1057 3.783,1058 7.375,1059 1,1060 8.885,1061 3.038,1062 5.958,1063 7.104,1064 1.986,1065 10.295,1066 5.827,1067 8.691,1068 1,1069 10.549,1070 2.275,1071 6.236,1072 7.691,1073 0.393,1074 11.843,1075 6.063,1076 10.041,1077 0.609,1078 12.246,1079 2.136,1080 7.752,1081 9.598,1082 2.341,1083 14.386,1084 7.562,1085 11.413,1086 0.366,1087 13.968,1088 1.432,1089 8.42,1090 10.625,1091 0.384,1092 16.299,1093 8.186,1094 12.805,1095 0.04,1096 15.708,1097 0.947,1098 9.692,1099 12.297,1100 2.756,1101 18.648,1102 9.44,1103 3.036,1104 -0.493,1105 17.461,1106 0.099,1107 10.56,1108 13.555,1109 0.351,1110 20.735,1111 10.263,1112 2.737,1113 9.635,1114 19.225,1115 -1.167,1116 11.72,1117 15.119,1118 3.203,1119 23.011,1120 11.401,1121 2.653,1122 8.298,1123 20.998,1124 4.441,1125 12.692,1126 16.493,1127 0.312,1128 25.18,1129 12.329,1130 2.454,1131 7.785,1132 22.778,1133 3.462,1134 13.804,1135 18.011,1136 3.667,1137 27.433,1138 13.415,1139 2.079,1140 6.94,1141 24.565,1142 3.456,1143 14.83,1144 19.443,1145 0.273,1146 29.643,1147 14.399,1148 1.925,1149 5.869,1150 26.357,1151 2.655,1152 15.923,1153 20.942,1154 4.143,1155 31.89,1156 15.462,1157 1.527,1158 5.311,1159 28.153,1160 2.594,1161 16.978,1162 22.403,1163 0.236,1164 34.122,1165 16.477,1166 10105,1167 15212,1168 20.572,1169 36.25,1170 44.917,1171 45.594,1172 45.094,1173 44.498,1174 44.454,1175 57.357,1176 4.733,1177 123.571,1178 42.923,1179 5.499,1180 5.605,1181 6.104,1182 5.081,1183 5.036,1184 7.441,1185 2.555,1186 16.036,1187 4.933,1188 9.639,1189 1.497,1190 1.52,1191 1.503,1192 1.483,1193 1.482,1194 1.912,1195 0.158,1196 4.119,1197 1.431,1198 4.076,1199 4.093,1200 4.321,1201 4.065,1202 7.427,1203 4.023,1204 3.952,1205 3.996,1206 3.871,1207 3.869,1208 4.952,1209 3.862,1210 3.828,1211 3.872,1212 3.736,1213 3.733,1214 4.755,1215 3.719,1216 3.596,1217 3.633,1218 3.609,1219 3.489,1220 4.322,1221 3.467,1222 3.369,1223 3.435,1224 3.29,1225 3.245,1226 4.261,1227 3.221,1228 3.184,1229 3.25,1230 3.068,1231 3.03,1232 3.895,1233 3.021,1234 3.111,1235 3.206,1236 2.877,1237 2.941,1238 3.723,1239 2.91,1240 2.955,1241 3.025,1242 2.866,1243 2.815,1244 3.674,1245 2.792,1246 0.15,1247 0.12,1248 0.21,1249 0.133,1250 0.101,1251 4.499,1252 0.148,1253 3.605,1254 0.043,1255 6.302,1256 0.321,1257 3.988,1258 0.098,1259 3.036,1260 4.441,1261 1.277,1262 9.635,1263 2.933,1264 1.949,1265 1.927,1266 2.105,1267 2.072,1268 1.485,1269 2.087,1270 1.921,1271 1.892,1272 2.024,1273 1.999,1274 1.186,1275 2.009,1276 1.829,1277 1.782,1278 1.973,1279 1.939,1280 1.134,1281 1.959,1282 1.493,1283 1.444,1284 1.721,1285 1.689,1286 0.983,1287 1.701,1288 1.474,1289 1.434,1290 1.667,1291 1.611,1292 0.825,1293 1.663,1294 1.2,1295 1.145,1296 1.513,1297 1.399,1298 0.792,1299 1.429,1300 1.153,1301 1.064,1302 1.455,1303 1.376,1304 0.685,1305 1.42,1306 0.963,1307 0.917,1308 1.209,1309 1.162,1310 0.423,1311 1.179,1312 4.111,1314 5.416,1315 2.398,1316 6.905,1317 4.727,1318 8.472,1319 6.804,1320 10.079,1322 2.01,1328 7.394,1332 0.676,1333 2.535,1340 33.266,1341 75.326,1342 173.766,1343 236.56,1344 262.07,1345 264.825,1346 264.825,1347 41.444,1348 7.481,1349 33.2,1350 61.44,1351 23,1352 12.351,1353 4.17,1354 3.322,1355 40.646,1356 126,1357 113,1358 0.155,1359 207.117,1360 352.5,1361 497.126,1362 20297,1364 18.64,1365 0.69,1366 0.618,1367 18.993,1368 16.673,1369 13.17,1370 0.439,1371 0.355,1372 9.85,1373 12.446,1374 9.496,1375 7.855,1376 13.578,1377 10.655,1378 11.851,1379 0.289,1380 0.215,1381 12.579,1382 8.817,1383 9.783,1384 0.188,1385 0.125,1386 10.469,1387 6.487,1388 7.993,1389 0.121,1390 0.073,1391 8.765,1392 4.834,1393 6.525,1394 0.081,1395 0.043,1396 7.182,1397 3.513,1398 0.254,1399 84.699,1400 0.22,1401 26.745,1402 0.397,1403 142,1404 329.886,1405 174.418,1406 348.03,1407 480.95,1408 328,1409 164,1410 336.309,1411 190.978,1412 360.974,1413 525.41,1414 341,1415 8.167}
{0 CHEMBL1084276,1 1.513,2 16.5,3 5.024,4 25.243,5 129.18,6 7.871,7 0.486,8 4.162,9 4.255,10 3.773,11 3.708,12 5.338,13 3.708,14 4.667,15 4.815,16 4.105,17 4.051,18 5.864,19 4.041,20 4.845,21 4.987,22 4.17,23 4.176,24 6.014,25 4.147,26 4.942,27 5.134,28 4.097,29 4.133,30 6.125,31 4.085,32 4.815,33 4.997,34 3.95,35 4.075,36 5.951,37 4.009,38 4.772,39 4.974,40 3.85,41 4.012,42 5.843,43 3.92,44 4.775,45 5.006,46 3.685,47 3.885,48 5.768,49 3.786,50 4.567,51 4.785,52 3.63,53 3.765,54 5.613,55 3.682,56 0.059,57 0.761,58 10.417,59 5.295,60 9.45,61 6.178,62 0.442,63 1.227,64 20.642,65 8.333,66 37.379,67 10.048,68 0.309,69 1.384,70 24.816,71 10.869,72 40.088,73 12.706,74 0.7,75 1.492,76 31.27,77 11.7,78 79.044,79 14.39,80 0.546,81 1.361,82 26.279,83 10.181,84 60.643,85 12.402,86 0.363,87 1.308,88 25.101,89 10.409,90 50.397,91 13.504,92 0.578,93 1.273,94 28.104,95 10.021,96 60.928,97 12.828,98 0.264,99 1.074,100 21.145,101 8.183,102 40.617,103 10.738,104 20,105 50,106 0.244,107 0.563,108 0.735,109 0.863,110 0.9,111 0.9,112 3.56,113 0.871,114 -3.87,115 -3.83,116 -3.64,121 46.6,126 2,127 3,143 2,144 11,145 3,146 4,159 1,161 1,176 11,179 1,180 13,183 2,187 12,192 12,200 7,205 2,206 11,211 2,214 9,218 2,219 4,224 2,227 12,231 1,232 4,237 1,239 9,243 1,244 7,247 1,251 4,256 6,264 3,268 1,269 4,274 1,277 6,281 2140,282 23.162,283 23.162,284 23.162,285 23.162,286 23.162,287 20.365,288 28.252,289 13.937,290 23.684,291 18.243,292 18.243,293 18.243,294 18.243,295 18.243,296 13.94,297 34.802,298 6.62,299 19.02,300 4.345,301 2.364,302 1.294,303 0.5,304 0.267,305 0.267,306 4.258,311 1,312 1,313 1214,314 4.243,318 400.596,322 302.06,325 2.412,326 34.704,329 1,330 0.83,331 1,332 0.6,333 0.5,334 1,335 1,336 0.85,337 74,338 561,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 2.186,346 11.061,347 3.18,348 4.106,349 3.66,350 6.011,351 3.723,352 2.761,353 3.688,354 1.419,355 8.529,356 2.661,357 4.051,358 3.082,359 5.681,360 3.613,361 2.642,362 3.676,363 1.102,364 7.996,365 2.563,366 3.854,367 3.014,368 5.407,369 3.38,370 2.451,371 2.975,372 0.86,373 6.913,374 2.261,375 3.661,376 2.871,377 5.29,378 3.232,379 2.271,380 2.892,381 0.461,382 6.815,383 2.172,384 3.605,385 2.743,386 5.124,387 3.119,388 2.164,389 2.719,390 0.366,391 6.041,392 2.048,393 3.334,394 2.585,395 4.862,396 2.95,397 2.012,398 2.504,400 5.593,401 1.864,402 3.299,403 2.361,404 4.584,405 2.777,406 1.803,407 2.455,409 4.813,410 1.746,411 3.003,412 2.157,413 4.125,414 2.508,415 1.544,416 2.081,418 3.384,419 1.48,420 2.903,421 1.682,422 3.729,423 2.423,424 1.432,425 1.999,427 3.264,428 1.415,429 2.714,430 1.619,431 3.672,432 2.243,433 1.257,434 1.81,436 3.064,437 1.236,438 2.652,439 1.372,440 3.495,441 2.181,442 1.189,443 1.714,445 2.613,446 1.177,447 2.436,448 1.298,449 3.483,450 1.904,451 0.9,452 1.304,454 2.102,455 0.895,456 2.014,457 1.257,458 3.132,459 1.685,460 0.726,461 0.862,463 1.631,464 0.689,465 1.507,466 1.101,467 2.911,468 1.299,469 0.383,470 0.409,472 0.559,473 0.346,474 15.967,475 0.47,476 0.729,477 0.021,478 46.25,479 1.36,480 24.5,481 0.721,482 21.75,483 0.64,484 25.411,485 0.747,486 35.633,487 0.614,488 37.481,489 1.102,490 9.74,491 0.286,492 6.789,493 0.2,494 0.104,496 0.307,501 0.783,502 1.237,503 0.725,504 1.08,505 0.598,506 0.921,507 0.92,508 0.855,509 0.842,510 0.858,511 0.597,512 0.82,513 1.16,514 1.176,515 0.993,516 1.173,517 0.908,518 1.079,519 1.147,520 0.943,521 0.968,522 0.918,523 1.189,524 0.911,525 1.161,526 0.943,527 1.149,528 0.97,529 1.306,530 1.041,531 0.716,532 1.166,533 1.011,534 1.188,535 0.689,536 1.167,537 1.145,538 0.833,539 1.087,540 0.877,541 0.89,542 0.957,543 0.841,544 1.129,545 0.96,546 1.08,547 0.781,548 1.047,549 6.5,550 0.111,551 2.889,552 2.375,553 1.853,554 0.868,555 0.563,556 0.392,557 0.205,558 0.192,559 20647,560 59928,561 2.077,562 41.4,564 23,567 1,572 1.75,573 1.962,574 3.968,575 -0.392,582 87.732,583 1.513,584 3.494,585 4.564,586 5.358,587 5.591,588 5.591,589 3.396,590 4.617,591 5.063,592 4.17,593 2339.19,594 8.821,595 39878.1,600 339.763,601 1.333,602 5.026,603 0.176,604 0.004,605 0.058,606 0.046,607 0.039,608 0.021,609 0.016,610 0.013,611 0.007,612 0.007,613 0.387,614 0.33,615 1,616 0.962,617 189.266,618 -0.035,619 -0.149,620 0.053,621 -0.084,622 -0.054,623 -0.013,624 0.068,625 0.229,626 0.06,627 0.101,628 0.086,629 0.093,630 -0.109,631 -0.197,632 -0.077,633 -0.175,634 -0.032,635 -0.131,636 0.007,637 0.017,638 0.048,639 0.064,640 0.011,641 0.064,642 -0.124,643 0.062,644 -0.183,645 0.004,646 -0.188,647 -0.084,648 0.062,649 -0.196,650 -0.057,651 -0.189,652 0.034,653 -0.155,654 -0.098,655 0.124,656 -0.037,657 0.099,658 -0.085,659 0.05,660 -0.031,661 -0.141,662 0.024,663 -0.098,664 0.034,665 -0.038,666 2.168,667 5.62,668 0.588,669 41.287,670 1.01,671 1.114,672 2.644,673 6.99,674 0.684,675 3.638,676 3.932,677 4.174,678 4.431,679 4.663,680 4.736,681 4.828,682 4.949,683 4.977,684 4.89,685 9.581,686 0.662,687 456.53,688 3.638,689 5.165,690 5.999,691 6.864,692 7.716,693 8.591,694 9.453,695 10.334,696 11.203,697 12.089,698 3.4,701 1,705 1,715 11,720 7,722 18,727 1,737 1,739 2,741 58,743 21,744 3,745 37,747 61,748 27,749 18,750 7,751 11,752 1,756 4,757 7,771 2,772 20,773 5,777 2,782 2,786 2,793 24,794 7,795 1,796 7,802 2,808 0.5,809 5,829 4,833 2,836 2,855 1,859 2,864 2,868 34,876 3,877 1,878 3,881 1,885 1,891 2,893 8.6,896 2,898 3,901 17.333,902 11.2,903 7.611,904 3.275,907 4.511,908 1.557,909 0.975,910 7.612,911 12.614,912 3.932,913 4.483,914 5.006,915 5.554,916 6.079,917 6.308,918 6.653,919 7.038,920 7.357,921 7.575,922 0.909,923 52,924 12.541,926 5.239,927 0.026,929 7.838,931 23.577,933 18.626,936 2.338,937 79.5,940 1,941 270.735,942 206.323,943 21.135,945 83.29,948 206.323,949 354.025,950 21.135,951 16.793,952 26.815,953 104.239,954 55.423,955 66.654,956 40.824,957 270.735,959 270.735,960 227.458,961 83.29,964 270.735,965 83.29,968 29.939,969 163.458,970 34.061,972 270.735,973 104.425,974 206.323,977 270.735,978 51.23,979 124.156,980 52.072,981 83.29,982 270.735,983 104.425,984 206.323,986 0.571,987 0.327,988 0.176,989 0.097,990 22,991 10,992 0.115,993 7,994 2,995 1.2,996 4.686,997 295.518,998 0.2,999 20,1000 172.974,1005 23.532,1006 10.998,1007 6.047,1009 104.425,1010 19.716,1015 4.188,1017 18.011,1018 581.483,1019 50,1024 23.979,1028 -0.56,1031 58.56,1032 64.611,1034 0.258,1035 0.596,1036 0.779,1037 0.915,1038 0.954,1039 0.954,1040 5.162,1041 1.803,1042 5.964,1043 5.593,1044 4.615,1045 5.17,1046 2.875,1047 6.737,1048 4.539,1049 6.363,1050 1.544,1051 7.495,1052 4.813,1053 4.111,1054 4.832,1055 1.847,1056 7.551,1057 4.007,1058 7.66,1059 1.432,1060 9.126,1061 3.384,1062 6.168,1063 7.296,1064 3.793,1065 10.662,1066 6.028,1067 8.987,1068 1.257,1069 10.817,1070 3.264,1071 6.479,1072 7.753,1073 3.613,1074 12.333,1075 6.327,1076 10.343,1077 1.189,1078 12.549,1079 3.064,1080 7.99,1081 9.687,1082 5.041,1083 14.973,1084 7.813,1085 11.719,1086 0.9,1087 14.311,1088 2.613,1089 8.71,1090 10.561,1091 5.296,1092 17.035,1093 8.533,1094 13.113,1095 0.726,1096 16.095,1097 2.102,1098 9.992,1099 12.243,1100 6.446,1101 19.515,1102 9.797,1103 3.215,1104 0.383,1105 17.898,1106 1.631,1107 10.925,1108 13.351,1109 6.932,1110 21.76,1111 10.733,1112 2.761,1113 11.061,1114 19.717,1115 0.559,1116 12.112,1117 14.903,1118 7.927,1119 24.185,1120 11.911,1121 2.642,1122 8.529,1123 21.549,1124 4.198,1125 13.154,1126 16.145,1127 8.54,1128 26.514,1129 12.954,1130 2.451,1131 7.996,1132 23.392,1133 3.688,1134 14.309,1135 17.629,1136 9.447,1137 28.922,1138 14.102,1139 2.271,1140 6.913,1141 25.245,1142 3.676,1143 15.406,1144 18.947,1145 10.13,1146 31.289,1147 15.199,1148 2.164,1149 6.815,1150 27.107,1151 2.975,1152 16.553,1153 20.396,1154 10.986,1155 33.692,1156 16.34,1157 2.012,1158 6.041,1159 28.975,1160 2.892,1161 17.679,1162 21.758,1163 11.71,1164 36.077,1165 17.463,1166 19551,1167 33463,1168 24.849,1169 39.659,1170 54.966,1171 57.516,1172 55.797,1173 53.591,1174 53.566,1175 70.649,1176 12.787,1177 148.92,1178 51.531,1179 5.425,1180 5.692,1181 6.544,1182 5.301,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.18,1188 16.436,1189 1.486,1190 1.554,1191 1.508,1192 1.448,1193 1.448,1194 1.909,1195 0.346,1196 4.025,1197 1.393,1198 4.047,1199 4.054,1200 4.014,1201 3.965,1202 7.435,1203 3.974,1204 3.937,1205 3.964,1206 3.877,1207 3.856,1208 7.427,1209 3.856,1210 3.778,1211 3.801,1212 3.717,1213 3.712,1214 4.964,1215 3.709,1216 3.654,1217 3.706,1218 3.568,1219 3.526,1220 4.819,1221 3.529,1222 3.528,1223 3.588,1224 3.445,1225 3.23,1226 4.79,1227 3.27,1228 3.384,1229 3.438,1230 3.27,1231 3.173,1232 4.616,1233 3.188,1234 3.194,1235 3.206,1236 3.13,1237 3.052,1238 4.321,1239 3.068,1240 3.033,1241 3.086,1242 2.907,1243 2.822,1244 4.281,1245 2.825,1246 0.123,1247 0.1,1248 0.183,1249 0.114,1250 0.087,1251 4.553,1252 0.113,1253 3.692,1254 0.059,1255 6.774,1256 0.299,1257 4.203,1258 0.086,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.057,1267 2.083,1268 1.185,1269 2.072,1270 1.91,1271 1.885,1272 2.027,1273 2.019,1274 1.164,1275 2.022,1276 1.773,1277 1.751,1278 1.889,1279 1.869,1280 0.981,1281 1.875,1282 1.623,1283 1.578,1284 1.805,1285 1.806,1286 0.917,1287 1.806,1288 1.406,1289 1.341,1290 1.69,1291 1.723,1292 0.686,1293 1.713,1294 1.345,1295 1.277,1296 1.595,1297 1.563,1298 0.678,1299 1.572,1300 1.131,1301 1.116,1302 1.36,1303 1.31,1304 0.504,1305 1.298,1306 1.006,1307 0.934,1308 1.295,1309 1.264,1310 0.47,1311 1.279,1312 4.317,1314 5.617,1316 7.112,1318 8.707,1320 10.359,1322 3.471,1328 1.41,1329 2.423,1330 16.744,1333 2.043,1339 6.085,1340 38.412,1341 87.732,1342 202.636,1343 264.69,1344 310.743,1345 324.253,1346 324.253,1347 62.255,1348 8.102,1349 81.01,1350 81.01,1351 24,1352 12.625,1353 4.459,1354 3.807,1355 57.623,1356 203,1357 182,1358 0.136,1359 235.704,1360 425.15,1361 566.877,1362 47569,1364 23.916,1365 0.703,1366 0.558,1367 23.916,1368 18.961,1369 16.529,1370 0.447,1371 0.29,1372 10.566,1373 15.825,1374 10.26,1375 8.567,1376 16.529,1377 10.745,1378 14.533,1379 0.291,1380 0.154,1381 14.533,1382 7.687,1383 11.943,1384 0.187,1385 0.08,1386 11.943,1387 5.1,1388 9.893,1389 0.119,1390 0.042,1391 9.893,1392 3.466,1393 7.935,1394 0.076,1395 0.022,1396 7.935,1397 2.319,1398 0.226,1399 104.126,1400 0.201,1401 32.631,1402 0.338,1403 174,1404 574.656,1405 193.743,1406 544.261,1407 736.55,1408 510,1409 201,1410 533.442,1411 220.112,1412 538.15,1413 784.47,1414 503,1415 6.678}
{0 CHEMBL1084366,1 1.42,2 19.875,3 6.909,4 47.74,5 158.788,6 6.958,7 0.419,8 4.423,9 4.537,10 3.926,11 3.953,12 5.479,13 3.921,14 4.971,15 5.147,16 4.237,17 4.314,18 6.015,19 4.255,20 5.233,21 5.449,22 4.282,23 4.436,24 6.183,25 4.351,26 5.277,27 5.513,28 4.255,29 4.4,30 6.272,31 4.306,32 5.214,33 5.438,34 4.192,35 4.374,36 6.206,37 4.279,38 5.218,39 5.452,40 4.158,41 4.342,42 6.207,43 4.243,44 5.142,45 5.363,46 4.079,47 4.295,48 6.125,49 4.195,50 5.099,51 5.316,52 4.023,53 4.26,54 6.064,55 4.15,56 0.027,57 1.036,58 17.075,59 7.705,60 9.494,61 10.041,62 0.404,63 1.668,64 31.909,65 12.392,66 42.761,67 16.725,68 0.387,69 2.018,70 43.126,71 16.097,72 52.19,73 21.767,74 0.731,75 2.051,76 46.323,77 16.182,78 79.351,79 22.327,80 0.501,81 1.958,82 42.903,83 15.398,84 68.457,85 20.964,86 0.585,87 1.933,88 43.57,89 15.324,90 78.016,91 20.999,92 0.579,93 1.822,94 40.159,95 14.066,96 69.574,97 19.004,98 0.458,99 1.732,100 38.078,101 13.962,102 60.577,103 18.834,104 25,105 56,106 0.217,107 0.519,108 0.737,109 0.863,110 0.892,111 0.892,112 3.717,113 0.977,114 -5.29,115 -5.18,116 -4.84,121 42.3,122 1,123 5,126 1,127 4,137 1,140 1,144 12,145 3,146 3,159 1,161 1,176 16,179 1,180 13,183 2,185 1,187 18,192 9,197 1,200 11,205 3,206 13,211 3,214 10,218 1,219 8,224 3,227 9,231 1,232 11,237 2,239 11,243 1,244 9,247 1,251 11,255 1,256 7,264 12,268 1,269 4,274 1,277 13,281 3674,282 27.352,283 27.352,284 27.352,285 27.352,286 27.352,287 24.763,288 30.132,289 16.997,290 27.85,291 21.291,292 21.291,293 21.291,294 21.291,295 21.291,296 17.273,297 39.982,298 8.177,299 22.077,300 4.865,301 2.891,302 1.468,303 0.644,304 0.455,305 0.455,306 4.414,312 1,313 1697,314 4.69,318 565.027,322 216.737,325 3.138,326 36.641,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 86,338 795,339 4.471,340 3.665,341 6.533,342 4.095,343 3.117,344 4.09,345 2.186,346 10.305,347 3.055,348 4.105,349 3.601,350 6.072,351 3.724,352 2.762,353 3.688,354 0.916,355 8.79,356 2.667,357 4.104,358 3.036,359 5.683,360 3.696,361 2.713,362 3.674,363 0.86,364 8.002,365 2.661,366 3.725,367 2.986,368 5.385,369 3.396,370 2.464,371 3.102,372 0.86,373 7.001,374 2.292,375 3.683,376 2.886,377 5.298,378 3.343,379 2.381,380 2.895,381 0.366,382 6.85,383 2.27,384 3.387,385 2.635,386 4.931,387 3.141,388 2.188,389 2.583,390 0.172,391 5.696,392 2.068,393 3.297,394 2.51,395 4.885,396 2.847,397 1.884,398 2.526,400 5.463,401 1.811,402 3.204,403 2.168,404 4.611,405 2.814,406 1.851,407 2.36,409 4.929,410 1.762,411 3.084,412 1.947,413 4.536,414 2.782,415 1.802,416 2.17,418 4.656,419 1.757,420 2.797,421 1.875,422 3.794,423 2.722,424 1.731,425 1.824,427 3.494,428 1.703,429 2.742,430 1.627,431 3.773,432 2.34,433 1.385,434 1.799,436 3.04,437 1.316,438 2.662,439 1.467,440 3.575,441 2.247,442 1.255,443 1.728,445 2.89,446 1.241,447 2.508,448 1.461,449 3.484,450 2.217,451 1.231,452 1.5,454 2.61,455 1.208,456 2.5,457 1.274,458 3.46,459 2.155,460 1.161,461 1.457,463 2.366,464 1.151,465 2.394,466 1.154,467 3.247,468 2,469 1,470 1.346,472 2.282,473 1,474 18.967,475 0.474,476 0.746,477 0.019,478 48.75,479 1.219,480 24,481 0.6,482 24.75,483 0.619,484 37.325,485 0.933,486 44.033,487 0.565,488 40.293,489 1.007,490 9.557,491 0.239,492 9.956,493 0.249,494 0.088,496 0.258,501 0.77,502 1.305,503 0.845,504 1.179,505 0.591,506 1.044,507 0.855,508 1.059,509 0.943,510 1.052,511 0.534,512 1.007,513 1.136,514 1.049,515 0.96,516 1.022,517 0.85,518 0.973,519 1.07,520 0.931,521 0.914,522 0.905,523 0.945,524 0.887,525 1.218,526 1.023,527 1.025,528 0.998,529 1.266,530 0.984,531 1.205,532 0.982,533 0.984,534 0.939,535 1.146,536 0.93,537 1.374,538 0.943,539 1.144,540 0.969,541 1.353,542 1.011,543 1.256,544 1.096,545 1.132,546 1.093,547 1.18,548 1.099,549 7,550 0.194,551 2.889,552 2.25,553 1.751,554 1.139,555 0.731,556 0.472,557 0.32,558 0.184,559 32321,560 76987,561 2.065,562 48.7,563 9,564 24,567 1,569 2,570 2,572 1.793,573 1.967,574 4.226,575 -0.442,582 110.765,583 1.42,584 3.394,585 4.817,586 5.641,587 5.83,588 5.83,589 3.752,590 4.784,591 5.291,592 4.427,593 3453.21,594 9.296,595 67835.8,600 490.261,601 1.236,602 5.269,603 0.163,604 0.005,605 0.052,606 0.039,607 0.032,608 0.022,609 0.015,610 0.01,611 0.008,612 0.005,613 0.352,614 0.17,615 0.75,616 1.53,617 235.14,618 -0.005,619 -0.126,620 0.056,621 -0.068,622 -0.017,623 -0.008,624 0.115,625 0.049,626 0.018,627 -0.027,628 0.146,629 -0.017,630 -0.065,631 -0.046,632 0.03,633 -0.023,634 -0.005,635 0.013,636 0.091,637 0.049,638 0.102,639 0.061,640 0.088,641 0.08,642 -0.074,643 -0.025,644 -0.02,645 -0.018,646 -0.075,647 -0.012,648 -0.033,649 -0.005,650 0.03,651 0.031,652 -0.01,653 0.038,654 -0.134,655 0.068,656 -0.126,657 -0.001,658 -0.148,659 -0.054,660 -0.1,661 -0.107,662 -0.132,663 -0.103,664 -0.106,665 -0.122,666 2.08,667 5.583,668 0.55,669 63.32,670 0.997,671 1.122,672 4.062,673 16.498,674 0.654,675 3.784,676 4.043,677 4.248,678 4.489,679 4.7,680 4.771,681 4.875,682 4.977,683 5.03,684 5.037,685 11.131,686 0.617,687 542.73,688 3.784,689 5.293,690 6.107,691 6.954,692 7.787,693 8.645,694 9.489,695 10.355,696 11.207,697 12.078,698 2.6,701 1,705 1,715 12,720 6,722 18,727 1,737 1,739 2,741 78,743 21,744 3,745 43,747 81,748 33,749 18,750 6,751 12,752 3,756 4,757 5,763 1,770 5,772 22,773 11,777 3,782 2,784 1,786 3,793 38,794 7,795 1,796 7,802 2,808 0.75,809 5,829 4,833 1,849 2,855 1,859 3,864 2,868 40,876 9,877 1,878 3,881 1,893 6.4,896 2,898 3,901 20.333,902 14.367,903 9.083,904 5.053,907 3.563,908 1.428,909 0.957,910 11.353,911 11.883,912 4.025,913 4.527,914 5.019,915 5.55,916 6.058,917 6.247,918 6.565,919 6.887,920 7.164,921 7.368,922 1,923 57,924 14.85,926 6.128,927 0.026,929 7.688,931 28.625,933 22.836,936 2.188,937 87.5,941 435.531,942 206.421,943 21.135,945 83.29,948 206.421,949 518.82,950 21.135,951 17.222,952 41.593,953 123.191,954 60.667,955 61.411,956 6.763,957 435.531,959 435.531,960 227.556,961 83.29,964 388.446,965 130.374,968 53.542,969 159.294,970 14.72,972 435.531,973 104.425,974 206.421,977 435.531,978 66.009,979 143.537,980 18.011,981 83.29,982 435.531,983 104.425,984 206.421,986 0.559,987 0.31,988 0.168,989 0.092,990 22,991 10,992 0.185,993 15,994 1,995 1.091,996 5.265,997 357.798,998 0.091,999 22,1000 208.877,1005 29.539,1006 15.373,1007 9.325,1009 104.425,1010 22.527,1015 4.163,1017 18.011,1018 746.377,1019 55,1024 24.644,1026 1.528,1028 0.045,1031 77.745,1032 87.517,1034 0.226,1035 0.54,1036 0.766,1037 0.897,1038 0.928,1039 0.928,1040 5.234,1041 1.851,1042 6.047,1043 5.463,1044 4.727,1045 5.215,1046 2.639,1047 6.777,1048 4.658,1049 6.391,1050 1.802,1051 7.547,1052 4.929,1053 4.111,1054 4.82,1055 1.847,1056 7.486,1057 4.007,1058 7.659,1059 1.731,1060 9.146,1061 4.656,1062 6.232,1063 7.28,1064 3.582,1065 10.588,1066 6.096,1067 8.96,1068 1.385,1069 10.807,1070 3.494,1071 6.447,1072 7.705,1073 3.603,1074 12.166,1075 6.284,1076 10.295,1077 1.255,1078 12.509,1079 3.04,1080 8,1081 9.635,1082 4.922,1083 14.761,1084 7.811,1085 11.654,1086 1.231,1087 14.241,1088 2.89,1089 8.641,1090 10.474,1091 5.291,1092 16.729,1093 8.431,1094 13.032,1095 1.161,1096 15.994,1097 2.61,1098 9.936,1099 12.153,1100 6.39,1101 19.141,1102 9.706,1103 3.117,1104 1,1105 17.765,1106 2.366,1107 10.803,1108 13.221,1109 6.93,1110 21.292,1111 10.556,1112 2.762,1113 10.305,1114 19.551,1115 2.282,1116 11.982,1117 14.766,1118 7.902,1119 23.636,1120 11.717,1121 2.713,1122 8.79,1123 21.347,1124 4.09,1125 12.968,1126 15.965,1127 8.539,1128 25.875,1129 12.686,1130 2.464,1131 8.002,1132 23.154,1133 3.688,1134 14.099,1135 17.438,1136 9.436,1137 28.198,1138 13.801,1139 2.381,1140 7.001,1141 24.969,1142 3.674,1143 15.146,1144 18.714,1145 10.13,1146 30.478,1147 14.832,1148 2.188,1149 6.85,1150 26.791,1151 3.102,1152 16.26,1153 20.147,1154 10.981,1155 32.797,1156 15.931,1157 1.884,1158 5.696,1159 28.619,1160 2.895,1161 17.34,1162 21.469,1163 11.71,1164 35.099,1165 16.994,1166 30982,1167 48156,1168 29.008,1169 50.989,1170 62.191,1171 64.336,1172 63.101,1173 61.708,1174 61.677,1175 78.01,1176 10.723,1177 164.851,1178 59.59,1179 5.412,1180 5.665,1181 6.486,1182 5.197,1183 5.117,1184 7.09,1185 3.889,1186 17.229,1187 5.055,1188 18.332,1189 1.446,1190 1.496,1191 1.467,1192 1.435,1193 1.434,1194 1.814,1195 0.249,1196 3.834,1197 1.386,1198 4.033,1199 4.046,1200 3.993,1201 3.948,1202 7.435,1203 3.955,1204 3.938,1205 3.964,1206 3.877,1207 3.855,1208 7.428,1209 3.855,1210 3.854,1211 3.878,1212 3.79,1213 3.795,1214 4.939,1215 3.791,1216 3.759,1217 3.827,1218 3.606,1219 3.622,1220 4.813,1221 3.604,1222 3.675,1223 3.737,1224 3.547,1225 3.494,1226 4.749,1227 3.495,1228 3.534,1229 3.6,1230 3.419,1231 3.328,1232 4.52,1233 3.339,1234 3.464,1235 3.492,1236 3.379,1237 3.312,1238 4.313,1239 3.313,1240 3.32,1241 3.381,1242 3.158,1243 3.13,1244 4.244,1245 3.128,1246 0.104,1247 0.085,1248 0.152,1249 0.095,1250 0.072,1251 4.471,1252 0.095,1253 3.665,1254 0.051,1255 6.533,1256 0.24,1257 4.095,1258 0.071,1259 3.117,1260 4.09,1261 2.186,1262 10.305,1263 3.055,1264 1.968,1265 1.957,1266 2.054,1267 2.067,1268 1.353,1269 2.059,1270 1.911,1271 1.885,1272 2.034,1273 2.024,1274 1.254,1275 2.027,1276 1.854,1277 1.832,1278 2.022,1279 1.944,1280 1.147,1281 1.97,1282 1.764,1283 1.698,1284 1.964,1285 1.936,1286 1.113,1287 1.951,1288 1.646,1289 1.582,1290 1.878,1291 1.848,1292 1.044,1293 1.86,1294 1.499,1295 1.424,1296 1.795,1297 1.741,1298 1.034,1299 1.758,1300 1.412,1301 1.387,1302 1.637,1303 1.616,1304 0.782,1305 1.619,1306 1.307,1307 1.236,1308 1.519,1309 1.505,1310 0.639,1311 1.513,1312 4.466,1314 5.74,1316 7.201,1318 8.758,1320 10.37,1322 4.211,1328 7.94,1329 2.814,1330 17.433,1333 2.196,1340 48.099,1341 110.765,1342 264.732,1343 375.758,1344 439.997,1345 454.752,1346 454.752,1347 87.224,1348 8.319,1349 81.01,1350 81.01,1351 24,1352 12.625,1353 4.459,1354 3.7,1355 73.978,1356 273,1357 310,1358 0.128,1359 296.185,1360 531.59,1361 714.452,1362 64433,1364 28.158,1365 0.704,1366 0.584,1367 28.158,1368 23.358,1369 19.512,1370 0.454,1371 0.326,1372 13.836,1373 18.818,1374 13.491,1375 11.299,1376 19.512,1377 14.009,1378 16.778,1379 0.3,1380 0.178,1381 16.778,1382 9.963,1383 13.2,1384 0.191,1385 0.095,1386 13.2,1387 6.573,1388 11.021,1389 0.125,1390 0.051,1391 11.021,1392 4.478,1393 8.649,1394 0.079,1395 0.026,1396 8.649,1397 2.881,1398 0.214,1399 121.921,1400 0.186,1401 37.441,1402 0.317,1403 198,1404 584.656,1405 218.077,1406 554.113,1407 752.75,1408 520,1409 224,1410 548.723,1411 243.112,1412 551.127,1413 801.75,1414 518,1415 7.167}
{0 CHEMBL1084367,1 1.186,2 13.964,3 6.864,4 47.109,5 122.366,6 5.697,7 0.367,8 4.234,9 4.388,10 3.568,11 3.763,12 5.051,13 3.677,14 4.847,15 5.081,16 3.843,17 4.173,18 5.553,19 4.039,20 5.146,21 5.429,22 3.904,23 4.326,24 5.793,25 4.151,26 5.189,27 5.494,28 3.841,29 4.3,30 5.807,31 4.11,32 5.118,33 5.408,34 3.762,35 4.277,36 5.73,37 4.083,38 5.136,39 5.433,40 3.642,41 4.268,42 5.708,43 4.043,44 5.128,45 5.447,46 3.483,47 4.184,48 5.651,49 3.931,50 5.008,51 5.339,52 3.339,53 4.032,54 5.511,55 3.777,56 0.089,57 0.946,58 16.968,59 6.75,60 10.072,61 10.073,62 0.192,63 1.542,64 29.666,65 11.115,66 17.391,67 16.938,68 0.236,69 1.891,70 38.112,71 14.408,72 24.895,73 21.897,74 0.296,75 1.901,76 39.235,77 14.33,78 27.175,79 21.979,80 0.242,81 1.801,82 36.747,83 13.957,84 22.408,85 21.131,86 0.213,87 1.777,88 36.705,89 14.764,90 20.987,91 21.873,92 0.201,93 1.674,94 35.467,95 14.356,96 20.128,97 21.224,98 0.184,99 1.457,100 31.204,101 12.409,102 17.551,103 18.467,104 17,105 38,106 0.191,107 0.428,108 0.617,109 0.744,110 0.809,111 0.842,112 3.373,113 1.155,114 -5.39,115 -5.27,116 -4.92,121 37.3,123 12,126 2,127 2,144 4,145 2,146 1,148 2,176 15,180 5,185 3,187 15,192 5,197 3,200 11,206 3,209 1,211 5,214 12,219 1,224 3,227 15,232 2,237 1,239 16,244 2,249 1,251 13,256 2,261 1,264 10,269 2,274 1,277 10,281 1446,282 19.347,283 19.347,284 19.347,285 19.347,286 19.347,287 18.059,288 16.718,289 12.323,290 19.573,291 14.903,292 14.903,293 14.903,294 14.903,295 14.903,296 12.879,297 17.926,298 5.966,299 15.262,300 4.88,301 3.406,302 2.231,303 1.441,304 1.037,305 0.829,306 4.065,312 1,313 835,314 4.062,318 201.076,322 231.036,325 2.117,326 9.004,329 0.75,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.82,337 57.5,338 391,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.8,346 11.348,347 3.162,348 3.914,349 2.669,350 5.982,351 3.524,352 2.532,353 3.437,354 0.4,355 8.37,356 2.512,357 3.522,358 2.576,359 5.381,360 3.16,361 2.236,362 2.893,364 6.711,365 2.081,366 3.236,367 2.356,368 4.659,369 3.136,370 2.182,371 2.236,373 5.184,374 2.069,375 2.942,376 1.929,377 4.116,378 2.896,379 1.903,380 2.142,382 3.852,383 1.885,384 2.909,385 1.765,386 3.986,387 2.656,388 1.67,389 1.915,391 3.496,392 1.643,393 2.7,394 1.587,395 3.875,396 2.513,397 1.524,398 1.716,400 3.329,401 1.505,402 2.585,403 1.457,404 3.678,405 2.345,406 1.347,407 1.604,409 3.231,410 1.343,411 2.488,412 1.389,413 3.594,414 2.321,415 1.341,416 1.488,418 2.902,419 1.312,420 2.353,421 1.35,422 3.539,423 2.242,424 1.247,425 1.351,427 2.793,428 1.24,429 2.053,430 1.095,431 3.276,432 1.977,433 1,434 1.037,436 2.192,437 0.975,438 1.806,439 0.78,440 2.954,441 1.689,442 0.702,443 0.756,445 1.527,446 0.692,447 1.487,448 0.452,449 2.817,450 1.347,451 0.371,452 0.4,454 0.794,455 0.362,456 1.222,457 0.127,458 2.507,459 1.01,460 0.041,461 0.046,463 0.095,464 0.04,465 0.918,466 -0.117,467 2.404,468 0.725,469 -0.246,470 -0.27,472 -0.564,473 -0.239,474 13.7,475 0.489,476 0.418,477 0.015,478 27.25,479 0.973,480 10.5,481 0.375,482 16.75,483 0.598,484 31.23,485 1.115,486 32.5,487 0.485,488 15.581,489 0.556,490 4.33,491 0.155,492 9.424,493 0.337,494 0.073,496 0.212,501 1.056,502 1.457,503 1.113,504 1.278,505 0.958,506 1.213,507 1.404,508 1.182,509 1.136,510 1.108,511 0.905,512 1.106,513 1.014,514 1.112,515 0.976,516 1.03,517 0.978,518 1.006,519 1.173,520 0.941,521 0.947,522 0.903,523 1.061,524 0.91,525 1.243,526 0.992,527 1.077,528 1.009,529 1.169,530 1.029,531 0.919,532 1.032,533 1.09,534 1.095,535 1.037,536 1.102,537 0.737,538 0.973,539 0.99,540 1.029,541 0.898,542 1.026,543 0.759,544 0.9,545 0.92,546 0.94,547 0.836,548 0.94,549 3,550 0.078,551 2,552 1.313,553 1.2,554 0.438,555 0.3,556 0.161,557 0.123,558 0.097,559 11402,560 17833,561 2.076,562 58.2,563 18,564 14,567 1,568 2,569 4,572 1.702,573 2,574 3.652,575 -0.465,582 79.446,583 1.186,584 2.66,585 3.835,586 4.625,587 5.029,588 5.238,589 3.026,590 4.066,591 4.771,592 3.942,593 1490.01,594 8.254,595 21799.7,600 406.428,601 1.095,602 4.765,603 0.1,604 0.004,605 0.053,606 0.034,607 0.033,608 0.013,609 0.011,610 0.007,611 0.006,612 0.005,613 0.266,614 0.5,615 0.88,616 2.504,617 146.044,618 0.081,619 -0.13,620 0.057,621 -0.032,622 0.136,623 0.004,624 -0.095,625 -0.013,626 -0.042,627 -0.019,628 0.107,629 -0.026,630 0.044,631 -0.076,632 0.04,633 -0.013,634 0.11,635 0.008,636 0.046,637 0.06,638 0.057,639 0.06,640 0.082,641 0.059,642 -0.126,643 0.037,644 -0.065,645 -0.008,646 -0.121,647 -0.028,648 -0.094,649 -0.044,650 -0.112,651 -0.084,652 -0.145,653 -0.096,654 -0.022,655 -0.046,656 -0.048,657 -0.052,658 -0.077,659 -0.051,660 0.002,661 0.005,662 0.014,663 0.012,664 -0.026,665 0.013,666 0.514,667 1.943,668 0.5,669 33.423,670 0.973,671 1.134,672 4.158,673 17.288,674 0.623,675 3.434,676 3.664,677 3.892,678 4.159,679 4.419,680 4.477,681 4.595,682 4.682,683 4.727,684 4.564,685 8.314,686 0.56,687 381.67,688 3.434,689 4.92,690 5.733,691 6.578,692 7.425,693 8.29,694 9.157,695 10.037,696 10.917,697 11.806,698 4.5,701 1,703 1,708 1,714 2,715 4,716 1,720 3,722 11,734 1,741 67,743 11,744 1,745 30,747 69,748 25,749 9,750 2,751 4,756 3,757 6,767 4,770 12,772 9,773 16,793 39,794 3,795 1,796 3,802 3,808 0.333,822 1,829 3,833 2,855 1,859 1,864 2,868 28,876 14,877 1,881 1,901 14,902 12.233,903 6.444,904 4.788,907 2.405,908 1.326,909 0.958,910 8.762,911 9.791,912 3.597,913 4.086,914 4.649,915 5.258,916 5.865,917 6.191,918 6.567,919 6.907,920 7.2,921 7.004,922 0.889,923 39,924 10.446,926 4.196,927 0.026,929 7.244,931 21.463,933 17.738,936 1.744,937 48.833,938 0.001,941 447.302,942 102.74,943 37.921,948 102.74,949 447.302,950 37.921,951 16.793,952 34.626,953 37.905,954 34.796,955 16.54,957 447.302,959 447.302,960 140.66,964 400.217,965 47.084,968 42.651,969 63.213,970 34.796,972 447.302,973 37.921,974 102.74,977 447.302,978 48.042,979 57.822,980 18.011,981 16.786,982 447.302,983 37.921,984 102.74,986 0.549,987 0.301,988 0.169,989 0.096,990 15,991 6,992 0.174,993 12,994 2,995 1.286,996 4.213,997 218.557,998 0.286,999 14,1000 132.606,1005 21.272,1006 11.533,1007 6.555,1008 2.459,1009 37.921,1010 8.64,1011 4.943,1015 4.2,1017 18.011,1018 587.962,1019 35.5,1031 65.21,1032 75.969,1034 0.195,1035 0.439,1036 0.632,1037 0.762,1038 0.829,1039 0.863,1040 4.794,1041 1.347,1042 5.652,1043 3.329,1044 4.344,1045 4.771,1046 0.824,1047 6.395,1048 4.297,1049 5.919,1050 1.341,1051 7.152,1052 3.231,1053 3.611,1054 4.477,1055 0.325,1056 7.222,1057 3.514,1058 7.182,1059 1.247,1060 8.77,1061 2.902,1062 5.832,1063 6.928,1064 0.413,1065 10.401,1066 5.74,1067 8.494,1068 1,1069 10.469,1070 2.793,1071 6.043,1072 7.633,1073 0.268,1074 12.208,1075 5.91,1076 9.858,1077 0.702,1078 12.225,1079 2.192,1080 7.649,1081 9.523,1082 0.246,1083 14.885,1084 7.518,1085 11.259,1086 0.371,1087 14.02,1088 1.527,1089 8.36,1090 10.681,1091 0.188,1092 17.064,1093 8.199,1094 12.689,1095 0.041,1096 15.845,1097 0.794,1098 9.696,1099 12.347,1100 0.157,1101 19.578,1102 9.528,1103 3.226,1104 -0.246,1105 17.689,1106 0.095,1107 10.657,1108 13.705,1109 0.125,1110 21.902,1111 10.466,1112 2.532,1113 11.348,1114 19.549,1115 -0.564,1116 11.883,1117 15.281,1118 0.102,1119 24.361,1120 11.679,1121 2.236,1122 8.37,1123 21.42,1124 4.564,1125 12.961,1126 16.728,1127 0.082,1128 26.744,1129 12.735,1130 2.182,1131 6.711,1132 23.3,1133 3.437,1134 14.146,1135 18.268,1136 0.067,1137 29.184,1138 13.904,1139 1.903,1140 5.184,1141 25.187,1142 2.893,1143 15.276,1144 19.754,1145 0.054,1146 31.592,1147 15.013,1148 1.67,1149 3.852,1150 27.079,1151 2.236,1152 16.448,1153 21.28,1154 0.043,1155 34.024,1156 16.167,1157 1.524,1158 3.496,1159 28.975,1160 2.142,1161 17.6,1162 22.783,1163 0.035,1164 36.444,1165 17.298,1166 11166,1167 14157,1168 20.455,1169 41.722,1170 42.582,1171 42.648,1172 43.509,1173 42.696,1174 42.647,1175 51.171,1176 2.4,1177 111.647,1178 41.643,1179 5.609,1180 5.361,1181 6.766,1182 5.247,1183 5.226,1184 7.564,1185 1.2,1186 18.879,1187 5.162,1188 10.852,1189 1.419,1190 1.422,1191 1.45,1192 1.423,1193 1.422,1194 1.706,1195 0.08,1196 3.722,1197 1.388,1198 4.114,1199 4.145,1200 4.073,1201 4.041,1202 4.972,1203 4.045,1204 3.82,1205 3.888,1206 3.66,1207 3.694,1208 4.414,1209 3.676,1210 3.732,1211 3.781,1212 3.616,1213 3.649,1214 4.347,1215 3.635,1216 3.696,1217 3.774,1218 3.534,1219 3.538,1220 4.259,1221 3.525,1222 3.549,1223 3.634,1224 3.377,1225 3.358,1226 4.124,1227 3.351,1228 3.372,1229 3.458,1230 3.201,1231 3.197,1232 3.982,1233 3.188,1234 3.232,1235 3.303,1236 3.069,1237 3.089,1238 3.913,1239 3.072,1240 3.139,1241 3.22,1242 2.987,1243 2.969,1244 3.712,1245 2.964,1246 0.155,1247 0.112,1248 0.228,1249 0.14,1250 0.108,1251 4.64,1252 0.152,1253 3.361,1254 0.027,1255 6.829,1256 0.378,1257 4.207,1258 0.105,1259 3.226,1260 4.564,1261 0.8,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.44,1269 2.163,1270 1.818,1271 1.756,1272 2.063,1273 1.98,1274 1.423,1275 2.012,1276 1.754,1277 1.709,1278 1.959,1279 1.898,1280 1.293,1281 1.922,1282 1.699,1283 1.629,1284 1.947,1285 1.872,1286 1.152,1287 1.901,1288 1.541,1289 1.458,1290 1.824,1291 1.768,1292 1.087,1293 1.794,1294 1.371,1295 1.289,1296 1.681,1297 1.6,1298 0.885,1299 1.633,1300 1.248,1301 1.182,1302 1.514,1303 1.432,1304 0.759,1305 1.466,1306 1.136,1307 1.06,1308 1.448,1309 1.351,1310 0.711,1311 1.381,1312 4.111,1314 5.361,1316 6.817,1318 8.392,1320 10.047,1322 4.331,1328 18.173,1329 3.801,1333 2.288,1340 37.547,1341 79.446,1342 178.235,1343 256.97,1344 309.899,1345 336.918,1346 350.918,1347 44.818,1348 7.385,1349 28.16,1350 28.16,1351 18,1352 12.339,1353 3.585,1354 2.7,1355 50.366,1356 137,1357 158,1358 0.172,1359 234.145,1360 401.98,1361 563.073,1362 18148,1364 19.606,1365 0.7,1366 0.647,1367 19.606,1368 18.103,1369 13.754,1370 0.458,1371 0.385,1372 11.47,1373 13.504,1374 11.135,1375 9.37,1376 13.754,1377 11.546,1378 11.47,1379 0.302,1380 0.229,1381 11.47,1382 8.695,1383 8.96,1384 0.187,1385 0.125,1386 8.96,1387 6.003,1388 7.49,1389 0.119,1390 0.07,1391 7.49,1392 4.402,1393 6.282,1394 0.077,1395 0.04,1396 6.282,1397 3.249,1398 0.286,1399 84.168,1400 0.221,1401 27.823,1402 0.433,1403 136,1404 249.623,1405 141.19,1406 252.327,1407 358.03,1408 240,1409 154,1410 268.915,1411 160.162,1412 279.158,1413 406.19,1414 263,1415 7.347}
{0 CHEMBL1084368,1 1.17,2 15.567,3 7.776,4 60.466,5 131.568,6 5.613,7 0.344,8 4.314,9 4.469,10 3.632,11 3.842,12 5.116,13 3.751,14 4.932,15 5.168,16 3.899,17 4.252,18 5.622,19 4.111,20 5.239,21 5.527,22 3.958,23 4.405,24 5.865,25 4.222,26 5.277,27 5.585,28 3.898,29 4.381,30 5.878,31 4.184,32 5.213,33 5.507,34 3.824,35 4.36,36 5.806,37 4.159,38 5.23,39 5.53,40 3.711,41 4.351,42 5.787,43 4.122,44 5.222,45 5.543,46 3.563,47 4.274,48 5.734,49 4.019,50 5.114,51 5.445,52 3.431,53 4.136,54 5.605,55 3.879,56 0.097,57 1.023,58 18.542,59 7.447,60 10.678,61 11.068,62 0.203,63 1.667,64 32.259,65 12.275,66 18.377,67 18.593,68 0.251,69 2.047,70 41.407,71 15.854,72 26.148,73 23.972,74 0.31,75 2.055,76 42.436,77 15.761,78 28.227,79 24.02,80 0.255,81 1.956,82 39.995,83 15.407,84 23.456,85 23.201,86 0.227,87 1.932,88 39.893,89 16.191,90 21.971,91 23.908,92 0.213,93 1.828,94 38.559,95 15.754,96 21.003,97 23.21,98 0.197,99 1.611,100 34.295,101 13.808,102 18.434,103 20.454,104 19,105 40,106 0.185,107 0.406,108 0.585,109 0.707,110 0.773,111 0.819,112 3.439,113 1.176,114 -5.79,115 -5.66,116 -5.27,121 37,123 14,126 2,127 2,144 4,145 2,146 1,148 2,176 17,180 5,185 3,187 17,192 5,197 3,200 13,206 3,209 1,211 5,214 14,219 1,224 3,227 17,232 2,237 1,239 18,244 2,249 1,251 15,256 2,261 1,264 12,269 2,274 1,277 11,281 1748,282 20.761,283 20.761,284 20.761,285 20.761,286 20.761,287 19.474,288 16.718,289 13.323,290 20.988,291 15.903,292 15.903,293 15.903,294 15.903,295 15.903,296 13.879,297 17.926,298 6.466,299 16.262,300 5.02,301 3.622,302 2.487,303 1.713,304 1.295,305 1.007,306 4.131,312 1,313 995,314 4.301,318 226.111,322 259.717,325 2.453,326 9.097,329 0.75,330 0.67,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.8,337 61.5,338 467,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.8,346 11.348,347 3.162,348 3.914,349 2.669,350 5.982,351 3.524,352 2.532,353 3.437,354 0.4,355 8.37,356 2.512,357 3.522,358 2.576,359 5.381,360 3.16,361 2.236,362 2.893,364 6.711,365 2.08,366 3.236,367 2.356,368 4.659,369 3.136,370 2.182,371 2.236,373 5.184,374 2.071,375 2.946,376 1.947,377 4.116,378 2.926,379 1.931,380 2.142,382 3.891,383 1.918,384 2.93,385 1.816,386 3.99,387 2.745,388 1.755,389 1.939,391 3.604,392 1.734,393 2.771,394 1.649,395 3.905,396 2.525,397 1.541,398 1.78,400 3.329,401 1.514,402 2.611,403 1.51,404 3.744,405 2.473,406 1.483,407 1.639,409 3.319,410 1.466,411 2.504,412 1.437,413 3.594,414 2.345,415 1.347,416 1.504,418 3.03,419 1.343,420 2.478,421 1.35,422 3.593,423 2.242,424 1.247,425 1.477,427 2.902,428 1.24,429 2.22,430 1.275,431 3.428,432 2.18,433 1.2,434 1.217,436 2.537,437 1.173,438 1.975,439 0.987,440 3.146,441 1.888,442 0.906,443 0.949,445 1.981,446 0.889,447 1.734,448 0.71,449 2.898,450 1.628,451 0.64,452 0.685,454 1.369,455 0.631,456 1.446,457 0.404,458 2.763,459 1.31,460 0.333,461 0.356,463 0.71,464 0.325,465 1.203,466 0.118,467 2.452,468 1.009,469 0.038,470 0.042,472 0.086,473 0.036,474 14.7,475 0.49,476 0.418,477 0.014,478 28.25,479 0.942,480 10.5,481 0.35,482 17.75,483 0.592,484 34.999,485 1.167,486 35.1,487 0.481,488 15.845,489 0.528,490 4.33,491 0.144,492 10.424,493 0.347,494 0.068,496 0.197,501 1.065,502 1.461,503 1.138,504 1.294,505 0.965,506 1.233,507 1.399,508 1.205,509 1.16,510 1.139,511 0.911,512 1.136,513 1.003,514 1.102,515 0.974,516 1.026,517 0.964,518 1.003,519 1.159,520 0.945,521 0.948,522 0.91,523 1.047,524 0.916,525 1.22,526 0.991,527 1.067,528 1.006,529 1.145,530 1.024,531 0.912,532 1.028,533 1.079,534 1.085,535 1.02,536 1.091,537 0.737,538 0.974,539 0.988,540 1.025,541 0.887,542 1.022,543 0.754,544 0.907,545 0.922,546 0.945,547 0.822,548 0.944,549 3,550 0.078,551 2,552 1.313,553 1.2,554 0.438,555 0.3,556 0.161,557 0.123,558 0.097,559 14504,560 22163,561 2.071,562 58.9,563 22,564 14,567 1,568 2,569 4,572 1.718,573 2,574 3.797,575 -0.481,582 85.391,583 1.17,584 2.567,585 3.703,586 4.477,587 4.895,588 5.183,589 3.178,590 4.215,591 4.872,592 4.104,593 1785.06,594 8.444,595 28406.2,600 451.857,601 1.053,602 4.867,603 0.094,604 0.004,605 0.05,606 0.032,607 0.032,608 0.013,609 0.01,610 0.006,611 0.006,612 0.005,613 0.25,614 0.5,615 0.75,616 2.714,617 161.691,618 0.084,619 -0.121,620 0.054,621 -0.029,622 0.144,623 0.004,624 -0.092,625 -0.031,626 -0.056,627 -0.039,628 0.107,629 -0.044,630 0.05,631 -0.069,632 0.041,633 -0.009,634 0.119,635 0.011,636 0.052,637 0.056,638 0.055,639 0.056,640 0.09,641 0.056,642 -0.112,643 0.034,644 -0.054,645 -0.005,646 -0.103,647 -0.023,648 -0.086,649 -0.04,650 -0.099,651 -0.075,652 -0.129,653 -0.085,654 -0.02,655 -0.042,656 -0.043,657 -0.047,658 -0.069,659 -0.047,660 0.003,661 0.004,662 0.012,663 0.01,664 -0.021,665 0.011,666 0.512,667 1.951,668 0.467,669 38.871,670 0.972,671 1.134,672 4.563,673 20.825,674 0.62,675 3.497,676 3.714,677 3.932,678 4.19,679 4.443,680 4.5,681 4.615,682 4.7,683 4.745,684 4.585,685 9.253,686 0.556,687 409.73,688 3.497,689 4.977,690 5.784,691 6.621,692 7.462,693 8.322,694 9.184,695 10.059,696 10.935,697 11.821,698 4.1,701 1,703 1,708 1,714 2,715 4,716 1,720 3,722 11,734 1,741 73,743 11,744 1,745 32,747 75,748 27,749 9,750 2,751 4,756 3,757 6,767 4,770 14,772 9,773 18,793 43,794 3,795 1,796 3,802 3,808 0.333,822 1,829 3,833 2,855 1,859 1,864 2,868 30,876 16,877 1,881 1,901 15,902 13.233,903 6.944,904 5.288,907 2.397,908 1.32,909 0.953,910 10.122,911 9.885,912 3.651,913 4.119,914 4.668,915 5.269,916 5.87,917 6.195,918 6.57,919 6.909,920 7.202,921 7.006,922 0.9,923 41,924 11.203,926 4.482,927 0.026,929 7.228,931 23.096,933 19.072,936 1.728,937 51.833,941 494.386,942 107.809,943 37.921,948 107.809,949 494.386,950 37.921,951 16.793,952 39.695,953 37.905,954 34.796,955 16.54,957 494.386,959 494.386,960 145.729,964 447.302,965 47.084,968 47.72,969 63.213,970 34.796,972 494.386,973 37.921,974 107.809,977 494.386,978 53.111,979 57.822,980 18.011,981 16.786,982 494.386,983 37.921,984 107.809,986 0.546,987 0.298,988 0.166,989 0.094,990 15,991 6,992 0.187,993 14,994 2,995 1.286,996 4.454,997 235.122,998 0.286,999 14,1000 143.207,1005 23.226,1006 13.074,1007 7.646,1008 2.464,1009 37.921,1010 8.655,1011 4.951,1015 4.208,1017 18.011,1018 640.116,1019 37.5,1031 70.977,1032 82.799,1034 0.189,1035 0.415,1036 0.598,1037 0.723,1038 0.791,1039 0.837,1040 4.842,1041 1.483,1042 5.694,1043 3.329,1044 4.394,1045 4.804,1046 0.824,1047 6.422,1048 4.35,1049 5.956,1050 1.347,1051 7.183,1052 3.319,1053 3.611,1054 4.477,1055 0.325,1056 7.222,1057 3.514,1058 7.211,1059 1.247,1060 8.792,1061 3.03,1062 5.866,1063 6.939,1064 0.413,1065 10.406,1066 5.778,1067 8.515,1068 1.2,1069 10.483,1070 2.902,1071 6.043,1072 7.633,1073 0.268,1074 12.208,1075 5.91,1076 9.873,1077 0.906,1078 12.234,1079 2.537,1080 7.668,1081 9.526,1082 0.246,1083 14.886,1084 7.539,1085 11.269,1086 0.64,1087 14.026,1088 1.981,1089 8.36,1090 10.681,1091 0.188,1092 17.064,1093 8.199,1094 12.696,1095 0.333,1096 15.848,1097 1.369,1098 9.704,1099 12.348,1100 0.157,1101 19.578,1102 9.538,1103 3.226,1104 0.038,1105 17.691,1106 0.71,1107 10.657,1108 13.705,1109 0.125,1110 21.902,1111 10.466,1112 2.532,1113 11.348,1114 19.551,1115 0.086,1116 11.886,1117 15.282,1118 0.102,1119 24.361,1120 11.683,1121 2.236,1122 8.37,1123 21.421,1124 4.564,1125 12.961,1126 16.728,1127 0.082,1128 26.744,1129 12.735,1130 2.182,1131 6.711,1132 23.301,1133 3.437,1134 14.147,1135 18.268,1136 0.067,1137 29.184,1138 13.906,1139 1.931,1140 5.184,1141 25.187,1142 2.893,1143 15.276,1144 19.754,1145 0.054,1146 31.592,1147 15.013,1148 1.755,1149 3.891,1150 27.079,1151 2.236,1152 16.448,1153 21.28,1154 0.043,1155 34.024,1156 16.167,1157 1.541,1158 3.604,1159 28.975,1160 2.142,1161 17.6,1162 22.783,1163 0.035,1164 36.444,1165 17.298,1166 14176,1167 17757,1168 21.841,1169 45.245,1170 45.103,1171 45.18,1172 46.056,1173 45.248,1174 45.194,1175 53.719,1176 2.4,1177 116.742,1178 44.191,1179 5.615,1180 5.361,1181 6.782,1182 5.247,1183 5.226,1184 7.564,1185 1.2,1186 18.879,1187 5.162,1188 11.473,1189 1.409,1190 1.412,1191 1.439,1192 1.414,1193 1.412,1194 1.679,1195 0.075,1196 3.648,1197 1.381,1198 4.114,1199 4.146,1200 4.073,1201 4.041,1202 4.972,1203 4.045,1204 3.832,1205 3.899,1206 3.671,1207 3.71,1208 4.414,1209 3.691,1210 3.732,1211 3.799,1212 3.617,1213 3.649,1214 4.348,1215 3.635,1216 3.725,1217 3.781,1218 3.563,1219 3.58,1220 4.263,1221 3.564,1222 3.606,1223 3.688,1224 3.437,1225 3.431,1226 4.159,1227 3.42,1228 3.455,1229 3.541,1230 3.278,1231 3.267,1232 4.008,1233 3.259,1234 3.3,1235 3.38,1236 3.132,1237 3.151,1238 3.965,1239 3.139,1240 3.191,1241 3.266,1242 3.033,1243 3.025,1244 3.806,1245 3.01,1246 0.145,1247 0.105,1248 0.213,1249 0.131,1250 0.101,1251 4.64,1252 0.143,1253 3.361,1254 0.025,1255 6.829,1256 0.355,1257 4.207,1258 0.099,1259 3.226,1260 4.564,1261 0.8,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.445,1269 2.163,1270 1.828,1271 1.767,1272 2.073,1273 1.987,1274 1.431,1275 2.019,1276 1.754,1277 1.709,1278 1.991,1279 1.921,1280 1.338,1281 1.948,1282 1.736,1283 1.668,1284 1.949,1285 1.872,1286 1.19,1287 1.902,1288 1.603,1289 1.526,1290 1.875,1291 1.817,1292 1.14,1293 1.843,1294 1.454,1295 1.369,1296 1.754,1297 1.68,1298 0.995,1299 1.712,1300 1.308,1301 1.237,1302 1.613,1303 1.523,1304 0.827,1305 1.558,1306 1.206,1307 1.13,1308 1.481,1309 1.39,1310 0.755,1311 1.425,1312 4.174,1314 5.416,1316 6.86,1318 8.424,1320 10.068,1322 4.338,1328 21.113,1329 3.811,1333 2.292,1340 40.6,1341 85.391,1342 187.416,1343 270.308,1344 326.838,1345 357.328,1346 378.347,1347 51.324,1348 7.487,1349 28.16,1350 28.16,1351 18,1352 12.356,1353 3.585,1354 2.7,1355 56.188,1356 166,1357 184,1358 0.158,1359 253.329,1360 436.58,1361 609.884,1362 21544,1364 21.02,1365 0.701,1366 0.651,1367 21.02,1368 19.518,1369 14.754,1370 0.461,1371 0.392,1372 12.47,1373 14.504,1374 12.115,1375 10.203,1376 14.754,1377 12.546,1378 12.177,1379 0.304,1380 0.235,1381 12.177,1382 9.402,1383 9.46,1384 0.189,1385 0.13,1386 9.46,1387 6.503,1388 7.843,1389 0.121,1390 0.073,1391 7.843,1392 4.755,1393 6.532,1394 0.078,1395 0.042,1396 6.532,1397 3.499,1398 0.267,1399 90.168,1400 0.214,1401 29.758,1402 0.39,1403 144,1404 257.623,1405 149.19,1406 260.65,1407 369.55,1408 248,1409 162,1410 276.915,1411 168.162,1412 287.481,1413 417.71,1414 271,1415 6.578}
{0 CHEMBL1084369,1 1.273,2 13.966,3 5.663,4 32.07,5 122.67,6 6.371,7 0.531,8 4.17,9 4.313,10 3.612,11 3.735,12 5.091,13 3.673,14 4.744,15 4.948,16 3.903,17 4.137,18 5.575,19 4.031,20 5.053,21 5.327,22 3.952,23 4.261,24 5.783,25 4.119,26 5.025,27 5.299,28 3.857,29 4.219,30 5.75,31 4.064,32 5.012,33 5.284,34 3.775,35 4.222,36 5.693,37 4.051,38 5.04,39 5.32,40 3.659,41 4.216,42 5.681,43 4.013,44 5.03,45 5.336,46 3.503,47 4.127,48 5.622,49 3.898,50 4.898,51 5.215,52 3.364,53 3.969,54 5.482,55 3.74,56 0.075,57 0.891,58 14.536,59 5.845,60 10.077,61 8.542,62 0.157,63 1.463,64 26.029,65 9.96,66 18.852,67 14.818,68 0.251,69 1.82,70 35.647,71 12.837,72 27.698,73 19.526,74 0.313,75 1.77,76 34.813,77 12.464,78 28.947,79 18.864,80 0.242,81 1.719,82 34.067,83 12.798,84 23.85,85 19.16,86 0.22,87 1.714,88 34.775,89 13.715,90 23.495,91 20.258,92 0.213,93 1.625,94 34.363,95 13.559,96 23.625,97 20.068,98 0.223,99 1.408,100 30.176,101 11.716,102 22.098,103 17.378,105 41,106 0.206,107 0.505,108 0.674,109 0.797,110 0.838,111 0.854,112 3.407,113 1.05,114 -4.61,115 -4.53,116 -4.26,121 41,123 9,127 2,144 6,145 2,146 2,147 2,148 2,176 12,180 6,185 6,187 13,192 4,197 4,200 8,206 2,209 2,211 6,214 11,224 4,227 14,232 2,237 2,239 16,244 2,251 14,256 2,260 1,264 12,269 2,277 8,281 1502,282 20.501,283 20.501,284 20.501,285 20.501,286 20.501,287 18.463,288 19.688,289 12.975,290 20.753,291 15.903,292 15.903,293 15.903,294 15.903,295 15.903,296 12.835,297 24.908,298 6.265,299 16.3,300 4.657,301 2.808,302 1.763,303 1.008,304 0.754,305 0.656,306 4.116,312 1,313 895,314 3.464,318 312.745,322 236.868,325 2.045,326 11.698,329 1,330 0.83,331 0.83,332 1,333 0.5,334 1,335 1,336 0.88,337 60,338 405,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.4,346 11.348,347 3.162,348 3.914,349 2.669,350 5.982,351 3.524,352 2.532,353 3.444,354 0.4,355 8.37,356 2.512,357 3.896,358 2.659,359 5.381,360 3.487,361 2.522,362 3.437,364 6.965,365 2.433,366 3.522,367 2.356,368 5.34,369 3.136,370 2.182,371 2.893,373 6.711,374 2.08,375 2.973,376 1.92,377 4.116,378 2.873,379 1.88,380 2.142,382 3.822,383 1.866,384 2.94,385 1.762,386 3.984,387 2.594,388 1.633,389 2.121,391 3.452,392 1.571,393 2.861,394 1.606,395 3.858,396 2.51,397 1.525,398 1.883,400 3.329,401 1.501,402 2.635,403 1.484,404 3.686,405 2.381,406 1.432,407 1.667,409 3.237,410 1.353,411 2.534,412 1.429,413 3.594,414 2.345,415 1.347,416 1.539,418 2.991,419 1.343,420 2.5,421 1.35,422 3.585,423 2.242,424 1.247,425 1.5,427 2.902,428 1.24,429 2.484,430 1.229,431 3.429,432 2.084,433 1.12,434 1.483,436 2.459,437 1.077,438 2.192,439 1,440 3.247,441 1.984,442 1,443 1.181,445 2.136,446 0.983,447 1.911,448 0.899,449 3.109,450 1.759,451 0.783,452 0.86,454 1.766,455 0.763,456 1.589,457 0.555,458 2.875,459 1.405,460 0.441,461 0.49,463 0.963,464 0.424,465 1.292,466 0.168,467 2.681,468 1.034,469 0.074,470 0.085,472 0.174,473 0.071,474 14.1,475 0.486,476 0.342,477 0.012,478 35,479 1.207,480 17,481 0.586,482 18,483 0.621,484 27.061,485 0.933,486 31.5,487 0.516,488 21.095,489 0.727,490 6.118,491 0.211,492 8.298,493 0.286,496 0.213,501 1.011,502 1.294,503 0.962,504 1.11,505 0.8,506 1.046,507 1.096,508 1.28,509 1.073,510 1.166,511 0.879,512 1.126,513 1.096,514 1.031,515 0.912,516 0.927,517 0.902,518 0.909,519 1.179,520 0.97,521 1.042,522 0.976,523 1.038,524 0.994,525 1.148,526 0.978,527 1.096,528 1.027,529 1.068,530 1.052,531 0.901,532 1.013,533 1.117,534 1.117,535 0.996,536 1.131,537 0.741,538 0.952,539 1.01,540 1.044,541 0.887,542 1.047,543 0.726,544 0.832,545 0.941,546 0.939,547 0.847,548 0.954,549 2.5,550 0.049,551 2,552 1.25,553 1.191,554 0.417,555 0.279,556 0.142,557 0.106,558 0.082,559 13650,560 26934,561 2.175,562 52.5,563 12,564 10,566 2,567 2,568 2,569 4,572 1.71,573 2.148,574 3.665,575 0.125,582 77.679,583 1.273,584 3.123,585 4.167,586 4.922,587 5.177,588 5.275,589 2.973,590 4.142,591 4.829,592 3.93,593 1595.71,594 8.36,595 23977.8,600 361.775,601 0.736,602 4.835,603 0.078,604 0.003,605 0.049,606 0.03,607 0.032,608 0.012,609 0.01,610 0.006,611 0.005,612 0.004,613 0.228,614 0.33,615 1,617 152.761,618 0.009,619 -0.071,620 0.058,621 0.008,622 0.162,623 0.032,624 -0.041,625 -0.16,626 -0.066,627 -0.116,628 0.092,629 -0.097,630 0.007,631 -0.025,632 0.084,633 0.05,634 0.092,635 0.069,636 0.013,637 0.05,638 -0.04,639 -0.009,640 -0.021,641 -0.025,642 -0.151,643 0.024,644 -0.11,645 -0.037,646 -0.171,647 -0.065,648 -0.111,649 -0.054,650 -0.152,651 -0.115,652 -0.176,653 -0.133,654 -0.027,655 -0.048,656 -0.057,657 -0.059,658 -0.092,659 -0.06,660 0.05,661 0.061,662 0.016,663 0.029,664 -0.025,665 0.021,666 0.53,667 1.935,668 0.69,669 32.392,670 0.98,671 1.128,672 3.378,673 11.412,674 0.651,675 3.497,676 3.738,677 4.007,678 4.277,679 4.533,680 4.543,681 4.654,682 4.736,683 4.779,684 4.625,685 8.377,686 0.598,687 388.61,688 3.497,689 4.99,690 5.82,691 6.668,692 7.522,693 8.387,694 9.255,695 10.131,696 11.008,697 11.891,698 6.6,703 2,708 2,714 2,715 8,716 2,720 4,722 17,734 2,741 61,743 17,744 1,745 32,747 64,748 25,749 14,750 2,751 4,756 4,757 7,767 4,770 9,772 14,773 11,793 32,794 4,795 2,796 4,802 4,808 0.5,822 2,829 4,833 2,859 2,868 29,876 11,877 2,901 13.5,902 10.567,903 6.611,904 4.247,907 3.145,908 1.411,909 0.999,910 7.229,911 10.801,912 3.726,913 4.263,914 4.854,915 5.45,916 6.036,917 6.261,918 6.616,919 6.942,920 7.226,921 7.036,922 0.889,923 42,924 10.761,926 4.433,927 0.026,929 7.345,931 21.706,933 18.079,936 1.845,937 53.5,941 353.133,942 118.147,943 69.593,948 118.147,949 353.133,950 69.593,952 27.022,953 56.857,954 93.135,955 34.268,957 329.591,959 353.133,960 187.74,964 306.049,965 47.084,968 50.018,969 68.13,970 69.593,972 353.133,973 69.593,974 118.147,977 353.133,978 43.195,979 74.952,980 36.022,981 33.571,982 353.133,983 69.593,984 118.147,986 0.551,987 0.319,988 0.184,989 0.104,990 18,991 6,992 0.156,993 10,994 2,995 1.2,996 4.392,997 237.268,998 0.2,999 20,1000 134.881,1005 20.006,1006 10.479,1007 5.407,1008 2.424,1009 69.593,1010 16.296,1011 8.98,1015 5.306,1017 36.022,1018 540.873,1019 40.5,1031 59.778,1032 68.806,1034 0.215,1035 0.527,1036 0.703,1037 0.83,1038 0.873,1039 0.889,1040 4.914,1041 1.432,1042 5.733,1043 3.329,1044 4.419,1045 4.949,1046 0.495,1047 6.482,1048 4.37,1049 6.058,1050 1.347,1051 7.233,1052 3.237,1053 3.611,1054 4.559,1056 7.286,1057 3.544,1058 7.327,1059 1.247,1060 8.85,1061 2.991,1062 5.916,1063 7.13,1064 0.097,1065 10.469,1066 5.823,1067 8.643,1068 1.12,1069 10.545,1070 2.902,1071 6.089,1072 7.727,1074 12.254,1075 5.979,1076 10.005,1077 1,1078 12.296,1079 2.459,1080 7.734,1081 9.686,1082 0.016,1083 14.922,1084 7.602,1085 11.401,1086 0.783,1087 14.086,1088 2.136,1089 8.417,1090 10.755,1092 17.087,1093 8.267,1094 12.823,1095 0.441,1096 15.904,1097 1.766,1098 9.768,1099 12.455,1100 0.003,1101 19.595,1102 9.598,1103 3.226,1104 0.074,1105 17.742,1106 0.963,1107 10.708,1108 13.757,1110 21.913,1111 10.521,1112 2.532,1113 11.348,1114 19.595,1115 0.174,1116 11.937,1117 15.347,1119 24.368,1120 11.73,1121 2.522,1122 8.37,1123 21.459,1124 4.564,1125 13.001,1126 16.762,1128 26.749,1129 12.774,1130 2.182,1131 6.965,1132 23.333,1133 3.444,1134 14.184,1135 18.306,1137 29.186,1138 13.939,1139 1.88,1140 6.711,1141 25.214,1142 3.437,1143 15.304,1144 19.775,1146 31.594,1147 15.039,1148 1.633,1149 3.822,1150 27.101,1151 2.893,1152 16.473,1153 21.301,1155 34.025,1156 16.189,1157 1.525,1158 3.452,1159 28.994,1160 2.142,1161 17.619,1162 22.796,1164 36.444,1165 17.314,1166 12692,1167 17941,1168 22.534,1169 39.682,1170 45.8,1171 46.119,1172 46.519,1173 45.88,1174 45.888,1175 58.578,1176 1.6,1177 121.25,1178 44.754,1179 5.6,1180 5.361,1181 6.738,1182 5.247,1183 5.226,1184 7.564,1185 0.8,1186 18.879,1187 5.162,1189 1.431,1190 1.441,1191 1.454,1192 1.434,1193 1.434,1194 1.831,1195 0.05,1196 3.789,1197 1.399,1198 4.114,1199 4.145,1200 4.073,1201 4.041,1202 4.975,1203 4.045,1204 3.888,1205 3.94,1206 3.816,1207 3.762,1208 4.912,1209 3.769,1210 3.749,1211 3.812,1212 3.62,1213 3.652,1214 4.413,1215 3.638,1216 3.731,1217 3.78,1218 3.588,1219 3.623,1220 4.28,1221 3.606,1222 3.54,1223 3.619,1224 3.377,1225 3.374,1226 4.216,1227 3.362,1228 3.31,1229 3.389,1230 3.165,1231 3.164,1232 4.009,1233 3.155,1234 3.175,1235 3.251,1236 3.039,1237 2.992,1238 3.963,1239 2.991,1240 3.106,1241 3.19,1242 2.932,1243 2.934,1244 3.743,1245 2.919,1246 0.145,1247 0.105,1248 0.213,1249 0.131,1250 0.101,1251 4.64,1252 0.143,1253 3.361,1254 0.013,1255 6.829,1256 0.355,1257 4.207,1258 0.099,1259 3.226,1260 4.564,1261 0.4,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.437,1269 2.163,1270 1.843,1271 1.796,1272 2.038,1273 2.001,1274 1.387,1275 2.009,1276 1.761,1277 1.71,1278 1.95,1279 1.918,1280 1.174,1281 1.939,1282 1.753,1283 1.7,1284 1.939,1285 1.872,1286 1.127,1287 1.901,1288 1.543,1289 1.469,1290 1.808,1291 1.746,1292 0.949,1293 1.771,1294 1.303,1295 1.238,1296 1.561,1297 1.519,1298 0.793,1299 1.539,1300 1.163,1301 1.085,1302 1.454,1303 1.365,1304 0.748,1305 1.385,1306 1.122,1307 1.04,1308 1.411,1309 1.338,1310 0.611,1311 1.381,1312 4.174,1314 5.434,1316 6.909,1318 8.497,1320 10.154,1328 13.258,1329 7.237,1340 36.461,1341 77.679,1342 190.506,1343 254.207,1344 300.265,1345 315.775,1346 321.775,1347 38.769,1348 7.656,1349 49.84,1350 49.84,1351 24,1352 12.427,1353 4.17,1354 3.248,1355 45.283,1356 146,1357 150,1358 0.145,1359 224.763,1360 381.8,1361 540.183,1362 27346,1364 19.728,1365 0.68,1366 0.596,1367 19.728,1368 17.291,1369 14.416,1370 0.45,1371 0.35,1372 11.127,1373 14.136,1374 10.918,1375 9.092,1376 14.416,1377 11.199,1378 11.873,1379 0.29,1380 0.195,1381 11.873,1382 7.994,1383 10.016,1384 0.185,1385 0.108,1386 10.016,1387 5.834,1388 8.493,1389 0.12,1390 0.06,1391 8.493,1392 4.271,1393 7.172,1394 0.078,1395 0.034,1396 7.172,1397 3.153,1398 0.24,1399 88.311,1400 0.211,1401 28.631,1402 0.363,1403 146,1404 305.956,1405 152.883,1406 308.396,1407 440.34,1408 294,1409 168,1410 335.31,1411 175.327,1412 342.983,1413 500.53,1414 327,1415 7.893}
{0 CHEMBL1084442,1 1.567,2 9.333,3 2.945,4 8.674,5 79.692,6 7.631,7 0.696,8 3.725,9 3.842,10 3.321,11 3.231,12 4.874,13 3.233,14 4.217,15 4.387,16 3.67,17 3.596,18 5.387,19 3.581,20 4.378,21 4.555,22 3.672,23 3.716,24 5.449,25 3.673,26 4.435,27 4.625,28 3.545,29 3.697,30 5.511,31 3.627,32 4.387,33 4.616,34 3.394,35 3.63,36 5.393,37 3.521,38 4.323,39 4.572,40 3.188,41 3.512,42 5.254,43 3.369,44 4.145,45 4.415,46 2.97,47 3.249,48 5.001,49 3.101,50 3.817,51 4.066,52 2.83,53 2.865,54 4.825,55 2.789,56 0.028,57 0.553,58 7.215,59 3.074,60 5.084,61 3.962,62 0.345,63 0.857,64 13.621,65 4.794,66 25.326,67 6.477,68 0.18,69 0.952,70 16.314,71 6.282,72 19.828,73 8.188,74 0.286,75 0.983,76 17.946,77 6.345,78 31.396,79 8.228,80 0.185,81 0.93,82 17.529,83 6.576,84 26.115,85 9.144,86 0.217,87 0.827,88 17.135,89 6.552,90 26.152,91 9.217,92 0.172,93 0.652,94 14.978,95 5.639,96 18.745,97 8.058,98 0.204,99 0.465,100 10.889,101 3.609,102 17.377,103 4.961,104 13,105 32,106 0.281,107 0.605,108 0.734,109 0.848,110 0.848,111 0.848,112 3.103,113 0.881,114 -3.02,115 -3.02,116 -2.91,121 43.2,126 2,144 7,145 1,146 1,148 1,153 2,161 1,163 1,176 6,179 1,180 4,182 1,183 2,187 5,189 2,192 4,200 2,203 3,206 5,211 2,214 1,216 3,219 4,224 2,227 4,232 1,234 1,237 1,239 6,243 1,251 4,256 1,258 1,263 1,268 1,269 2,272 1,281 543,282 14.301,283 14.301,284 14.301,285 14.301,286 14.301,287 12.276,288 9.915,289 8.396,290 14.692,291 11.277,292 11.277,293 11.277,294 11.277,295 11.277,296 8.197,297 8.583,298 3.915,299 11.869,300 3.642,301 1.829,302 1.112,303 0.473,304 0.473,305 0.473,306 3.783,310 1,311 1,312 1,313 421,314 2.828,317 43.426,318 121.505,321 85.44,325 1.651,326 12.267,327 1,328 1,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 45.5,338 196,339 4.654,340 3.659,341 6.795,342 4.165,343 3.226,344 4.598,345 2.186,346 11.14,347 3.036,348 4.088,349 3.253,350 5.994,351 3.648,352 2.693,353 3.711,354 0.366,355 8.452,356 2.568,357 3.785,358 2.729,359 5.473,360 3.398,361 2.453,362 3.156,364 7.308,365 2.292,366 3.464,367 2.433,368 5.044,369 3.023,370 2.054,371 2.728,373 5.56,374 1.973,375 3.238,376 1.925,377 4.763,378 2.753,379 1.817,380 2.525,382 5.19,383 1.697,384 3.014,385 1.552,386 4.438,387 2.501,388 1.525,389 2.255,391 4.1,392 1.483,393 2.689,394 1.258,395 3.61,396 2.183,397 1.213,398 1.775,400 2.866,401 1.173,402 2.5,403 1.103,404 3.414,405 2,406 1,407 1.5,409 2.275,410 1,411 2.126,412 1,413 3.382,414 1.674,415 0.71,416 0.977,418 1.725,419 0.682,420 1.52,421 0.84,422 2.894,423 1.313,424 0.4,425 0.43,427 0.621,428 0.361,429 1.317,430 0.628,431 2.565,432 0.893,433 -0.083,434 -0.107,436 -0.174,437 -0.08,438 0.907,439 -0.139,440 2.199,441 0.506,442 -0.45,443 -0.576,445 -1.081,446 -0.426,447 0.661,448 -0.404,449 2,450 0.166,451 -0.797,452 -1.101,454 -1.963,455 -0.759,456 0.572,457 -0.797,458 2,459 0.084,460 -0.896,461 -1.295,463 -2.161,464 -0.874,465 0.5,466 -0.914,467 1.886,469 -1,470 -1.5,472 -3,473 -1,474 9.867,475 0.47,476 0.486,477 0.023,478 29.25,479 1.393,480 15,481 0.714,482 14.25,483 0.679,484 12.944,485 0.616,486 22.233,487 0.601,488 20.362,489 0.97,490 6.151,491 0.293,492 4.035,493 0.192,494 0.135,496 0.334,501 0.838,502 1.479,503 0.75,504 1.136,505 0.612,506 0.955,507 0.708,508 0.888,509 0.796,510 0.785,511 0.45,512 0.783,513 1.103,514 1.114,515 0.956,516 1.029,517 0.793,518 0.979,519 1.409,520 1.073,521 1.263,522 1.052,523 1.242,524 1.12,525 0.784,526 1.042,527 1.051,528 1.093,529 0.905,530 1.108,531 0.619,532 0.935,533 1.008,534 1.086,535 0.836,536 1.113,537 0.526,538 0.934,539 0.813,540 1.057,541 0.478,542 1.009,543 1.067,544 0.856,545 0.821,546 0.897,547 0.853,548 0.848,549 4,550 0.066,551 2.444,552 1.764,553 1.129,554 0.58,555 0.276,556 0.237,557 0.14,558 0.134,559 4394,560 12062,561 2.074,562 43.2,564 13,565 2,567 1,572 1.628,573 1.938,574 3.197,575 -0.291,576 1,577 1,579 1,582 57.995,583 1.567,584 3.38,585 4.097,586 4.736,587 4.736,588 4.736,589 2.761,590 4.202,591 4.359,592 3.348,593 703.086,594 7.453,595 7423,596 1,597 1,598 1,599 1,600 192.75,601 1.418,602 4.322,603 0.174,604 0.007,605 0.076,606 0.055,607 0.042,608 0.025,609 0.015,610 0.017,611 0.012,612 0.011,613 0.435,614 0.83,615 1,616 1.238,617 95.128,618 -0.045,619 -0.317,620 0.064,621 -0.14,622 -0.076,623 -0.04,624 0.287,625 0.246,626 0.112,627 0.16,628 0.212,629 0.121,630 -0.131,631 -0.089,632 -0.041,633 -0.034,634 -0.022,635 -0.024,636 -0.294,637 -0.053,638 -0.319,639 -0.087,640 -0.185,641 -0.188,642 -0.073,643 -0.065,644 -0.114,645 -0.101,646 -0.038,647 -0.109,648 0.065,649 -0.024,650 -0.045,651 -0.074,652 -0.058,653 -0.079,654 0.197,655 -0.092,656 0.194,657 -0.037,658 0.078,659 0.056,660 0.164,661 0.016,662 0.244,663 0.067,664 0.13,665 0.142,666 2.136,667 4.167,668 0.714,669 17.469,670 1.005,671 1.125,672 1.792,673 3.213,674 0.672,675 3.178,676 3.497,677 3.784,678 4.043,679 4.248,680 4.29,681 4.431,682 4.533,683 4.5,684 4.477,685 5.535,686 0.646,687 282.35,688 3.178,689 4.71,690 5.565,691 6.444,692 7.321,693 8.209,694 9.095,695 9.989,696 10.881,697 11.778,698 8.1,705 1,706 1,708 1,714 1,715 9,720 3,721 1,722 16,737 1,741 37,743 17,744 1,745 23,747 39,748 16,749 13,750 2,751 4,756 3,757 4,772 14,773 2,777 1,782 1,786 1,789 1,790 1,793 16,794 3,795 1,796 5,799 1,802 3,803 1,808 0.667,809 2,822 1,828 1,829 2,832 1,859 2,864 2,868 21,877 1,878 1,893 5.4,896 1,898 1,901 10.833,902 7.283,903 4.694,904 2.114,907 3.258,908 1.476,909 0.998,910 3.73,911 10.102,912 3.497,913 4.139,914 4.774,915 5.412,916 5.972,917 6.315,918 6.789,919 7.234,920 7.464,921 7.772,922 1,923 32,924 7.694,926 3.178,927 0.026,929 7.754,931 14.61,933 11.587,936 2.254,937 47.333,941 176.567,942 120.885,943 21.196,945 36.145,948 120.885,949 212.711,950 21.196,951 16.793,952 18.011,953 84.429,954 28.759,955 23.472,956 30.305,957 153.024,959 176.567,960 142.081,961 36.145,964 176.567,965 36.145,968 23.769,969 116.413,970 1.899,972 176.567,973 57.341,974 120.885,977 176.567,978 19.664,979 104.407,980 18.011,981 36.145,982 176.567,983 57.341,984 120.885,986 0.578,987 0.345,988 0.182,989 0.099,990 16,991 7,992 0.077,993 3,994 1,995 1.133,996 3.358,997 160.134,998 0.133,999 15,1000 88.239,1005 13.798,1006 5.676,1007 2.681,1008 1.109,1009 54.156,1010 17.606,1015 2.669,1016 2.12,1017 18.011,1018 354.793,1019 32,1024 11.167,1028 -0.47,1031 37.203,1032 41.613,1034 0.301,1035 0.649,1036 0.786,1037 0.909,1038 0.909,1039 0.909,1040 4.71,1041 1,1042 5.549,1043 2.866,1044 4.174,1045 4.824,1046 2.255,1047 6.368,1048 4.073,1049 5.935,1050 0.71,1051 7.114,1052 2.275,1053 3.761,1054 4.677,1055 1.784,1056 7.294,1057 3.583,1058 7.253,1059 0.4,1060 8.78,1061 1.725,1062 5.771,1063 7.104,1064 3.49,1065 10.411,1066 5.557,1067 8.613,1068 -0.083,1069 10.507,1070 0.621,1071 6.196,1072 7.818,1073 3.59,1074 12.197,1075 5.894,1076 10.005,1077 -0.45,1078 12.274,1079 -0.174,1080 7.675,1081 9.71,1082 4.905,1083 14.84,1084 7.341,1085 11.422,1086 -0.797,1087 14.069,1088 -1.081,1089 8.491,1090 10.842,1091 5.289,1092 16.985,1093 8.072,1094 12.86,1095 -0.896,1096 15.886,1097 -1.963,1098 9.762,1099 12.513,1100 6.387,1101 19.471,1102 9.305,1103 3.226,1104 -1,1105 17.719,1106 -2.161,1107 10.764,1108 13.852,1109 6.93,1110 21.767,1111 10.227,1112 2.693,1113 11.14,1114 19.566,1115 -3,1116 11.956,1117 15.43,1118 7.902,1119 24.2,1120 11.374,1121 2.453,1122 8.452,1123 21.425,1124 4.598,1125 13.044,1126 16.868,1127 8.539,1128 26.56,1129 12.389,1130 2.054,1131 7.308,1132 23.292,1133 3.711,1134 14.211,1135 18.409,1136 9.436,1137 28.976,1138 13.503,1139 1.817,1140 5.56,1141 25.167,1142 3.156,1143 15.338,1144 19.891,1145 10.13,1146 31.363,1147 14.562,1148 1.525,1149 5.19,1150 27.048,1151 2.728,1152 16.499,1153 21.419,1154 10.981,1155 33.774,1156 15.666,1157 1.213,1158 4.1,1159 28.934,1160 2.525,1161 17.646,1162 22.923,1163 11.71,1164 36.173,1165 16.748,1166 4328,1167 7265,1168 15.315,1169 24.875,1170 34.331,1171 35.673,1172 35.965,1173 34.183,1174 34.181,1175 47.312,1176 5.105,1177 98.472,1178 32.532,1179 5.447,1180 5.659,1181 6.476,1182 5.216,1183 5.226,1184 7.598,1185 3.889,1186 18.485,1187 5.036,1188 9.915,1189 1.493,1190 1.551,1191 1.564,1192 1.486,1193 1.486,1194 2.057,1195 0.222,1196 4.281,1197 1.414,1198 4.177,1199 4.227,1200 4.142,1201 4.027,1202 7.435,1203 4.049,1204 3.864,1205 3.887,1206 3.81,1207 3.776,1208 5.005,1209 3.779,1210 3.538,1211 3.595,1212 3.46,1213 3.311,1214 4.779,1215 3.326,1216 3.418,1217 3.487,1218 3.305,1219 3.19,1220 4.337,1221 3.223,1222 3.102,1223 3.186,1224 2.939,1225 2.904,1226 4.203,1227 2.899,1228 2.99,1229 3.031,1230 2.824,1231 2.735,1232 3.979,1233 2.745,1234 2.854,1235 2.925,1236 2.687,1237 2.728,1238 3.869,1239 2.715,1240 2.799,1241 2.882,1242 2.595,1243 2.632,1244 3.674,1245 2.606,1246 0.202,1247 0.159,1248 0.295,1249 0.181,1250 0.14,1251 4.654,1252 0.2,1253 3.659,1254 0.095,1255 6.795,1256 0.484,1257 4.165,1258 0.132,1259 3.226,1260 4.598,1261 2.186,1262 11.14,1263 3.036,1264 1.916,1265 1.893,1266 2.015,1267 2.079,1268 1.13,1269 2.062,1270 1.906,1271 1.863,1272 2.006,1273 2.009,1274 1.096,1275 2.008,1276 1.505,1277 1.452,1278 1.707,1279 1.768,1280 0.78,1281 1.744,1282 1.387,1283 1.309,1284 1.679,1285 1.674,1286 0.68,1287 1.68,1288 1.125,1289 1.051,1290 1.379,1291 1.336,1292 0.459,1293 1.356,1294 0.887,1295 0.848,1296 1.181,1297 1.213,1298 0.218,1299 1.178,1300 0.886,1301 0.821,1302 1.101,1303 1.062,1304 0.183,1305 1.107,1306 0.807,1307 0.736,1308 1.076,1309 1.005,1310 0.132,1311 1.041,1312 3.85,1314 5.165,1315 2.398,1316 6.681,1317 4.844,1318 8.284,1319 7.034,1320 9.933,1322 3.559,1329 2.418,1330 5.082,1340 23.918,1341 57.995,1342 125.059,1343 151.589,1344 175.24,1345 175.24,1346 175.24,1347 23.527,1348 6.844,1349 46.62,1350 46.62,1351 17,1352 12.303,1353 4.17,1354 3.322,1355 32.357,1356 69,1357 75,1358 0.235,1359 148.488,1360 246.36,1361 354.07,1362 7589,1364 14.82,1365 0.706,1366 0.57,1367 14.82,1368 11.96,1369 10.186,1370 0.443,1371 0.294,1372 6.626,1373 9.717,1374 6.435,1375 5.404,1376 10.186,1377 6.751,1378 8.997,1379 0.281,1380 0.151,1381 8.997,1382 4.825,1383 7.823,1384 0.182,1385 0.082,1386 7.823,1387 3.526,1388 6.312,1389 0.113,1390 0.043,1391 6.312,1392 2.412,1393 5.102,1394 0.074,1395 0.023,1396 5.102,1397 1.613,1398 0.367,1399 64.264,1400 0.256,1401 20.871,1402 0.649,1403 110,1404 323.782,1405 123.025,1406 311.334,1407 431.85,1408 292,1409 130,1410 329.374,1411 142.837,1412 330.859,1413 482.96,1414 311,1415 4.71}
{0 CHEMBL1084517,1 1.508,2 8.318,3 2.885,4 8.326,5 83.412,6 6.963,7 0.458,8 3.847,9 3.973,10 3.354,11 3.374,12 4.906,13 3.344,14 4.413,15 4.602,16 3.718,17 3.778,18 5.432,19 3.719,20 4.669,21 4.883,22 3.908,23 3.984,24 5.666,25 3.919,26 4.817,27 5.036,28 3.887,29 4.02,30 5.9,31 3.932,32 4.808,33 5.065,34 3.665,35 3.91,36 5.757,37 3.796,38 4.623,39 4.88,40 3.514,41 3.739,42 5.678,43 3.611,44 4.489,45 4.754,46 3.199,47 3.556,48 5.389,49 3.406,50 4.305,51 4.58,52 2.903,53 3.323,54 5.161,55 3.157,56 0.024,57 0.626,58 9.546,59 4.041,60 7.034,61 5.514,62 0.239,63 1.003,64 18.17,65 6.968,66 24.026,67 9.782,68 0.121,69 1.298,70 23.548,71 8.51,72 22.397,73 12.518,74 0.396,75 1.423,76 28.248,77 9.355,78 55.729,79 13.663,80 0.355,81 1.333,82 28.798,83 8.635,84 46.309,85 13.157,86 0.406,87 1.106,88 23.754,89 7.525,90 54.64,91 11.506,92 0.23,93 0.912,94 20.954,95 6.847,96 34.086,97 10.124,98 0.216,99 0.716,100 17.659,101 5.747,102 30.375,103 8.394,104 19,105 34,106 0.265,107 0.582,108 0.752,109 0.817,110 0.842,111 0.858,112 3.148,113 0.973,114 -3.83,115 -3.79,116 -3.6,121 39.5,122 1,123 6,126 1,144 1,145 3,146 1,148 2,151 1,160 1,165 1,166 1,167 1,176 8,179 2,180 8,185 2,187 9,189 2,192 6,197 2,200 9,203 2,205 2,206 10,208 2,209 2,211 3,214 8,216 3,219 3,224 2,227 5,229 2,231 2,232 4,234 2,235 2,237 2,239 7,241 2,244 3,251 5,256 4,264 3,269 4,277 1,281 528,282 14.853,283 14.853,284 14.853,285 14.853,286 14.853,287 13.396,288 12.729,289 8.681,290 15.136,291 11.755,292 11.755,293 11.755,294 11.755,295 11.755,296 9.356,297 7.627,298 4.033,299 12.093,300 3.918,301 2.118,302 1.151,303 0.779,304 0.64,305 0.547,306 3.828,310 1,311 1,312 1,313 387,314 2.739,318 72.133,320 59.833,322 61.669,324 81.845,325 1.347,326 23.513,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 47.5,338 183,339 4.673,340 3.682,341 6.801,342 4.225,343 3.249,344 4.615,345 1.674,346 11.17,347 3.173,348 4.243,349 3.326,350 6.389,351 3.887,352 2.9,353 3.797,355 9.669,356 2.855,357 3.778,358 2.782,359 5.921,360 3.387,361 2.406,362 3.204,364 8.104,365 2.357,366 3.52,367 2.411,368 5.319,369 3.094,370 2.143,371 2.906,373 6.483,374 2.031,375 3.189,376 2.19,377 4.825,378 2.794,379 1.83,380 2.353,382 4.982,383 1.752,384 2.754,385 1.718,386 4.231,387 2.707,388 1.71,389 1.766,391 3.659,392 1.704,393 2.684,394 1.638,395 3.841,396 2.411,397 1.434,398 1.709,400 3.528,401 1.394,402 2.314,403 1.461,404 3.741,405 2.062,406 1.099,407 1.288,409 2.684,410 1.051,411 1.593,412 1.302,413 3.174,414 1.39,415 0.426,416 0.471,418 0.994,419 0.408,420 1.525,421 0.583,422 2.988,423 1.286,424 0.354,425 0.394,427 0.714,428 0.326,429 1.418,430 0.478,431 2.657,432 1.103,433 0.13,434 0.145,436 0.244,437 0.126,438 1.148,439 0.175,440 2.58,441 0.886,442 -0.103,443 -0.13,445 -0.22,446 -0.1,447 0.907,448 -0.181,449 2.466,450 0.595,451 -0.359,452 -0.441,454 -0.92,455 -0.342,456 0.578,457 -0.251,458 2.125,459 0.171,460 -0.809,461 -1.035,463 -2.14,464 -0.786,465 0.216,466 -0.748,467 1.865,468 -0.076,469 -1.073,470 -1.332,472 -2.789,473 -1.066,474 10.367,475 0.471,476 0.559,477 0.025,478 26,479 1.182,480 12,481 0.545,482 14,483 0.636,484 20.017,485 0.91,486 24.433,487 0.568,488 17.876,489 0.813,490 4.685,491 0.213,492 5.929,493 0.269,494 0.167,496 0.386,501 0.785,502 1.285,503 0.847,504 1.141,505 0.692,506 1.018,507 0.695,508 1.081,509 0.781,510 0.959,511 0.486,512 0.901,513 0.68,514 1.21,515 0.774,516 1.02,517 0.611,518 0.919,519 0.992,520 1.15,521 1.082,522 1.121,523 1.141,524 1.115,525 1.203,526 1.016,527 1.124,528 0.96,529 1.142,530 1.006,531 0.685,532 0.989,533 1.042,534 1.047,535 0.694,536 1.077,537 1.08,538 0.997,539 1.124,540 1.073,541 1.119,542 1.096,543 1.18,544 0.858,545 1.133,546 1.017,547 1.22,548 1.058,549 4,550 0.033,551 2.889,552 1.938,553 1.76,554 0.938,555 0.526,556 0.307,557 0.144,558 0.06,559 4286,560 10226,561 2.043,562 48.8,563 10,564 4,567 2,568 5,572 1.65,573 1.886,574 3.048,575 0.304,576 1,577 1,579 1,582 64.849,583 1.508,584 3.309,585 4.275,586 4.647,587 4.787,588 4.88,589 2.534,590 4.278,591 4.431,592 3.129,593 722.905,594 7.639,595 7562.67,597 1,599 1,600 233.329,601 1.495,602 4.376,603 0.167,604 0.008,605 0.085,606 0.047,607 0.048,608 0.032,609 0.022,610 0.018,611 0.012,612 0.007,613 0.446,614 0.67,615 1,616 1.055,617 98.561,618 -0.044,619 -0.048,620 0.043,621 -0.002,622 -0.042,623 0.032,624 0.177,625 0.007,626 0.155,627 0.109,628 0.168,629 0.121,630 0.023,631 -0.121,632 0.156,633 0.014,634 0.09,635 0.093,636 0.034,637 -0.083,638 -0.111,639 -0.141,640 0.004,641 -0.152,642 -0.183,643 -0.005,644 -0.134,645 -0.03,646 -0.152,647 -0.063,648 0.187,649 0.031,650 -0.071,651 -0.102,652 0.165,653 -0.119,654 -0.12,655 -0.054,656 -0.145,657 -0.115,658 -0.126,659 -0.127,660 -0.136,661 0.039,662 -0.139,663 -0.068,664 -0.157,665 -0.093,666 2.057,667 4.855,668 0.727,669 15.636,670 0.998,671 1.131,672 2.599,673 6.755,674 0.646,675 3.219,676 3.555,677 3.871,678 4.143,679 4.419,680 4.605,681 4.736,682 4.82,683 4.883,684 4.82,685 4.871,686 0.61,687 299.41,688 3.219,689 4.762,690 5.631,691 6.524,692 7.415,693 8.318,694 9.219,695 10.128,696 11.032,697 11.944,698 7,702 1,708 2,714 2,715 1,716 2,720 5,722 11,732 1,733 1,741 43,743 12,745 24,747 45,748 17,749 8,752 1,756 3,757 6,763 1,767 6,770 6,772 9,773 8,777 1,782 1,786 1,789 1,790 1,793 21,794 5,795 2,796 5,802 3,808 0.333,809 2,822 2,829 2,831 1,833 1,835 1,859 1,864 2,868 22,869 1,876 6,878 1,893 4.7,896 1,898 1,901 11.667,902 8.4,903 4.917,904 2.825,907 2.483,908 1.347,909 0.978,910 4.191,911 9.641,912 3.45,913 4.086,914 4.736,915 5.362,916 6.007,917 6.47,918 6.87,919 7.268,920 7.578,921 7.562,922 0.833,923 41,924 8.167,926 3.469,927 0.026,929 7.72,931 15.784,933 13.102,936 2.22,937 48.833,941 223.651,942 70.513,943 66.468,945 36.145,948 70.513,949 259.796,950 66.468,951 19.708,952 15.207,953 42.373,954 65.907,955 29.93,957 223.651,959 223.651,960 136.981,961 36.145,964 225.366,965 36.145,968 29.546,969 72.149,970 33.571,972 223.651,973 102.613,974 70.513,977 223.651,978 41.328,979 29.185,981 102.613,982 223.651,983 102.613,984 70.513,986 0.581,987 0.356,988 0.193,989 0.108,990 17,991 8,992 0.044,993 2,994 2,995 1.25,996 3.257,997 179.914,998 0.25,999 16,1000 98.107,1005 15.079,1006 6.115,1007 2.778,1008 1.382,1009 102.613,1010 1.769,1011 9.198,1015 4.002,1017 32.897,1018 396.777,1019 30.5,1024 11.855,1028 -0.391,1031 42.912,1032 48.651,1034 0.278,1035 0.61,1036 0.788,1037 0.856,1038 0.882,1039 0.899,1040 4.698,1041 1.099,1042 5.631,1043 3.528,1044 4.234,1045 4.771,1046 1.888,1047 6.488,1048 4.181,1049 5.922,1050 0.426,1051 7.223,1052 2.684,1053 3.892,1054 4.796,1056 7.483,1057 3.825,1058 7.259,1059 0.354,1060 8.919,1061 0.994,1062 5.866,1063 7.078,1064 2.817,1065 10.622,1066 5.77,1067 8.637,1068 0.13,1069 10.675,1070 0.714,1071 6.347,1072 7.922,1074 12.418,1075 6.235,1076 10.048,1077 -0.103,1078 12.468,1079 0.244,1080 7.802,1081 9.723,1082 3.808,1083 15.082,1084 7.666,1085 11.483,1086 -0.359,1087 14.285,1088 -0.22,1089 8.658,1090 10.928,1092 17.206,1093 8.504,1094 12.937,1095 -0.809,1096 16.119,1097 -0.92,1098 9.919,1099 12.554,1100 4.825,1101 19.702,1102 9.744,1103 3.249,1104 -1.073,1105 17.966,1106 -2.14,1107 10.945,1108 13.927,1110 21.972,1111 10.748,1112 2.9,1113 11.17,1114 19.822,1115 -2.789,1116 12.136,1117 15.485,1118 5.851,1119 24.405,1120 11.917,1121 2.406,1122 9.669,1123 21.686,1124 4.615,1125 13.236,1126 16.937,1128 26.742,1129 12.994,1130 2.143,1131 8.104,1132 23.556,1133 3.797,1134 14.404,1135 18.47,1136 6.88,1137 29.152,1138 14.139,1139 1.83,1140 6.483,1141 25.431,1142 3.204,1143 15.538,1144 19.96,1146 31.522,1147 15.25,1148 1.71,1149 4.982,1150 27.31,1151 2.906,1152 16.699,1153 21.486,1154 7.91,1155 33.925,1156 16.388,1157 1.434,1158 3.659,1159 29.193,1160 2.353,1161 17.85,1162 22.994,1164 36.312,1165 17.515,1166 4271,1167 6740,1168 15.72,1169 27.779,1170 35.427,1171 37.127,1172 37.793,1173 35.332,1174 35.359,1175 45.299,1176 3.349,1177 104.463,1178 34.353,1179 5.634,1180 5.682,1181 6.626,1182 5.279,1183 5.249,1184 7.615,1185 3.349,1186 18.716,1187 5.173,1188 11.251,1189 1.476,1190 1.547,1191 1.575,1192 1.472,1193 1.473,1194 1.887,1195 0.14,1196 4.353,1197 1.431,1198 4.104,1199 4.136,1200 4.076,1201 4.011,1202 7.433,1203 4.023,1204 3.786,1205 3.833,1206 3.688,1207 3.679,1208 5.161,1209 3.673,1210 3.548,1211 3.586,1212 3.448,1213 3.401,1214 4.842,1215 3.403,1216 3.392,1217 3.468,1218 3.233,1219 3.244,1220 4.505,1221 3.224,1222 3.327,1223 3.38,1224 3.179,1225 3.037,1226 4.361,1227 3.07,1228 3.116,1229 3.198,1230 2.949,1231 2.973,1232 4.07,1233 2.954,1234 2.958,1235 3.082,1236 2.808,1237 2.729,1238 3.861,1239 2.733,1240 2.948,1241 3.014,1242 2.718,1243 2.639,1244 3.738,1245 2.654,1246 0.195,1247 0.153,1248 0.283,1249 0.176,1250 0.135,1251 4.673,1252 0.192,1253 3.682,1254 0.07,1255 6.801,1256 0.465,1257 4.225,1258 0.132,1259 3.249,1260 4.615,1261 1.674,1262 11.17,1263 3.173,1264 2.042,1265 2.016,1266 2.128,1267 2.153,1268 1.437,1269 2.144,1270 1.786,1271 1.741,1272 1.969,1273 1.929,1274 1.167,1275 1.948,1276 1.506,1277 1.464,1278 1.718,1279 1.695,1280 1.042,1281 1.691,1282 1.414,1283 1.341,1284 1.691,1285 1.606,1286 0.885,1287 1.644,1288 1.243,1289 1.185,1290 1.593,1291 1.558,1292 0.622,1293 1.57,1294 1.139,1295 1.066,1296 1.454,1297 1.346,1298 0.58,1299 1.385,1300 0.914,1301 0.845,1302 1.238,1303 1.264,1304 0.264,1305 1.27,1306 0.862,1307 0.754,1308 1.065,1309 1.159,1310 0.223,1311 1.138,1312 3.892,1314 5.22,1316 6.756,1318 8.402,1320 10.112,1322 3.161,1326 6.389,1328 6.654,1330 4.815,1340 26.235,1341 64.849,1342 142.271,1343 183.82,1344 199.82,1345 205.82,1346 209.82,1347 37.798,1348 7.159,1349 78.1,1350 78.1,1351 20,1352 12.46,1353 3.7,1354 2.907,1355 34.256,1356 66,1357 64,1358 0.275,1359 162.471,1360 278.52,1361 388.189,1362 11172,1364 15.69,1365 0.713,1366 0.596,1367 15.69,1368 13.108,1369 10.613,1370 0.442,1371 0.324,1372 7.689,1373 10.235,1374 7.451,1375 6.213,1376 10.613,1377 7.784,1378 9.432,1379 0.277,1380 0.172,1381 9.432,1382 5.849,1383 8.354,1384 0.178,1385 0.093,1386 8.354,1387 4.393,1388 6.858,1389 0.111,1390 0.051,1391 6.858,1392 3.139,1393 5.583,1394 0.068,1395 0.028,1396 5.583,1397 2.278,1398 0.411,1399 66.478,1400 0.252,1401 21.075,1402 0.814,1403 116,1404 326.074,1405 126.393,1406 313.938,1407 432.13,1408 294,1409 139,1410 320.661,1411 149.313,1412 326.494,1413 481.59,1414 306,1415 5.745}
{0 CHEMBL1084518,1 1.565,2 7.7,3 1.866,4 3.48,5 74.357,6 7.334,7 0.5,8 3.716,9 3.835,10 3.269,11 3.246,12 4.817,13 3.23,14 4.266,15 4.443,16 3.658,17 3.639,18 5.361,19 3.604,20 4.452,21 4.654,22 3.738,23 3.724,24 5.536,25 3.691,26 4.443,27 4.624,28 3.706,29 3.679,30 5.717,31 3.647,32 4.466,33 4.683,34 3.438,35 3.599,36 5.56,37 3.525,38 4.295,39 4.523,40 3.323,41 3.478,42 5.434,43 3.371,44 4.246,45 4.493,46 2.974,47 3.319,48 5.18,49 3.175,50 4.131,51 4.42,52 2.686,53 3.039,54 5.015,55 2.874,56 0.03,57 0.549,58 7.708,59 3.358,60 6.799,61 4.427,62 0.226,63 0.872,64 15.014,65 5.801,66 23.17,67 7.936,68 0.184,69 1.031,70 18.664,71 6.203,72 22.591,73 8.878,74 0.351,75 1.012,76 18.437,77 5.842,78 47.767,79 8.084,80 0.358,81 0.95,82 20.058,83 5.915,84 48.8,85 8.269,86 0.319,87 0.806,88 16.472,89 5.784,90 41.645,91 8.364,92 0.203,93 0.711,94 16.263,95 5.506,96 29.271,97 7.811,98 0.212,99 0.575,100 15.444,101 4.767,102 31.361,103 6.992,104 20,105 32,106 0.284,107 0.645,108 0.821,109 0.85,110 0.85,111 0.85,112 3.06,113 0.937,114 -3.34,115 -3.32,116 -3.18,121 40.5,122 2,123 3,127 1,144 1,145 3,146 1,148 2,151 1,160 1,165 1,166 1,167 1,176 5,179 2,180 9,185 2,187 6,189 2,192 6,197 2,200 3,203 2,205 2,206 9,208 2,209 2,211 3,214 6,216 3,219 2,227 4,231 2,232 3,234 2,235 2,237 1,239 6,241 1,244 2,251 2,256 5,261 1,264 1,266 1,277 1,281 412,282 13.439,283 13.439,284 13.439,285 13.439,286 13.439,287 11.982,288 13.807,289 7.786,290 13.76,291 10.793,292 10.793,293 10.793,294 10.793,295 10.793,296 8.416,297 10.26,298 3.581,299 11.211,300 3.644,301 1.657,302 0.689,303 0.527,304 0.527,305 0.527,306 3.733,310 1,311 1,312 1,313 331,314 2.915,317 38.261,318 74.936,321 61.769,322 64.101,325 1.23,326 23.436,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 43.5,338 154,339 4.677,340 3.689,341 6.804,342 4.233,343 3.256,344 4.617,345 1.674,346 11.179,347 3.181,348 4.252,349 3.344,350 6.394,351 3.899,352 2.913,353 3.803,355 9.693,356 2.867,357 3.796,358 2.8,359 5.93,360 3.411,361 2.431,362 3.219,364 8.141,365 2.379,366 3.516,367 2.416,368 5.316,369 3.077,370 2.129,371 2.904,373 6.469,374 2.009,375 3.198,376 2.144,377 4.844,378 2.788,379 1.839,380 2.364,382 5.076,383 1.733,384 2.652,385 1.812,386 4.215,387 2.273,388 1.324,389 1.687,391 3.581,392 1.251,393 2.25,394 1.494,395 3.678,396 2.122,397 1.141,398 1.232,400 2.589,401 1.115,402 2.094,403 1.252,404 3.492,405 1.876,406 0.908,407 1.018,409 1.914,410 0.867,411 1.818,412 0.988,413 3.161,414 1.621,415 0.634,416 0.713,418 1.36,419 0.622,420 1.382,421 0.424,422 2.814,423 1.006,424 0.039,425 0.049,427 0.098,428 0.038,429 1.036,430 0.172,431 2.653,432 0.674,433 -0.273,434 -0.344,436 -0.711,437 -0.258,438 0.678,439 -0.087,440 2.429,441 0.394,442 -0.586,443 -0.677,445 -0.923,446 -0.566,447 0.601,448 -0.654,449 2.041,450 0.186,451 -0.792,452 -1.057,454 -2.176,455 -0.77,456 0.228,457 -0.87,458 1.681,459 -0.091,460 -1.082,461 -1.395,463 -3.008,464 -1.074,465 -0.055,466 -0.959,467 1.532,468 -0.324,469 -1.283,470 -1.505,472 -3.429,473 -1.229,474 9.367,475 0.468,476 0.559,477 0.028,478 25,479 1.25,480 12,481 0.6,482 13,483 0.65,484 16.092,485 0.805,486 21.833,487 0.59,488 16.68,489 0.834,490 4.639,491 0.232,492 4.974,493 0.249,494 0.185,496 0.427,501 0.79,502 1.257,503 0.793,504 1.095,505 0.719,506 0.961,507 0.678,508 1.077,509 0.693,510 0.931,511 0.484,512 0.838,513 1.024,514 1.224,515 0.826,516 0.964,517 0.784,518 0.87,519 1.23,520 1.143,521 1.116,522 1.098,523 1.432,524 1.084,525 1.643,526 0.983,527 1.312,528 0.963,529 1.8,530 1.056,531 0.559,532 1.003,533 1.003,534 1.143,535 0.547,536 1.148,537 1.103,538 1.058,539 1.207,540 1.202,541 1.169,542 1.223,543 1.123,544 0.916,545 1.023,546 1.009,547 1.164,548 1.006,549 4,550 0.02,551 2.889,552 1.813,553 1.6,554 0.764,555 0.451,556 0.255,557 0.095,558 0.04,559 3341,560 8469,561 2.048,562 45.9,563 4,564 3,567 2,568 5,569 3,572 1.623,573 1.875,574 2.938,575 0.361,577 1,579 1,582 57.905,583 1.565,584 3.553,585 4.52,586 4.682,587 4.682,588 4.682,589 2.466,590 4.222,591 4.292,592 3.034,593 576.496,594 7.358,595 5636.29,596 1,597 1,599 1,600 192.75,601 1.522,602 4.231,603 0.182,604 0.01,605 0.09,606 0.053,607 0.052,608 0.033,609 0.023,610 0.02,611 0.011,612 0.01,613 0.483,614 0.67,615 1,616 1.329,617 86.365,618 -0.061,619 -0.051,620 0.041,621 -0.001,622 -0.085,623 0.036,624 0.198,625 -0.009,626 0.219,627 0.115,628 0.172,629 0.158,630 -0.08,631 -0.16,632 0.119,633 0.018,634 0.006,635 0.09,636 -0.007,637 -0.03,638 -0.154,639 -0.155,640 -0.033,641 -0.18,642 -0.35,643 0.032,644 -0.313,645 -0.036,646 -0.341,647 -0.143,648 0.288,649 -0.005,650 -0.056,651 -0.159,652 0.273,653 -0.167,654 -0.133,655 -0.144,656 -0.229,657 -0.228,658 -0.163,659 -0.24,660 -0.066,661 -0.099,662 0.015,663 -0.071,664 -0.072,665 -0.021,666 2.028,667 4.931,668 0.65,669 13.36,670 1.004,671 1.13,672 2.106,673 4.437,674 0.656,675 3.135,676 3.497,677 3.829,678 4.127,679 4.344,680 4.522,681 4.625,682 4.771,683 4.745,684 4.625,685 4.579,686 0.627,687 271.35,688 3.135,689 4.691,690 5.572,691 6.479,692 7.38,693 8.294,694 9.202,695 10.119,696 11.031,697 11.95,698 8.1,702 1,708 2,714 2,715 1,716 2,720 5,722 11,732 1,733 1,741 37,743 12,745 22,747 39,748 15,749 8,752 1,756 3,757 6,763 2,767 3,770 3,772 9,773 6,777 1,782 1,786 1,789 1,790 1,793 17,794 5,795 2,796 5,802 3,808 0.333,809 2,822 2,828 1,829 2,832 1,833 1,859 1,864 2,868 20,869 1,876 4,878 1,893 5.4,896 1,898 1,901 10.667,902 7.4,903 4.417,904 2.492,907 2.489,908 1.361,909 0.991,910 3.246,911 9.385,912 3.384,913 4.052,914 4.718,915 5.362,916 5.988,917 6.454,918 6.855,919 7.268,920 7.547,921 7.519,922 1,923 34,924 7.415,926 3.187,927 0.026,929 7.792,931 14.151,933 11.738,936 2.292,937 45.833,938 0.001,941 176.567,942 65.444,943 66.468,945 36.145,948 65.444,949 212.711,950 66.468,951 17.65,952 12.196,953 42.373,954 65.907,955 29.93,957 176.567,959 176.567,960 131.912,961 36.145,964 142.969,965 71.458,968 35.36,969 61.266,970 33.571,972 176.567,973 102.613,974 65.444,977 176.567,978 38.317,979 27.127,981 102.613,982 176.567,983 102.613,984 65.444,986 0.586,987 0.361,988 0.202,989 0.103,990 17,991 8,992 0.077,993 3,994 2,995 1.308,996 3.115,997 158.061,998 0.308,999 13,1000 86.439,1005 13.166,1006 4.932,1007 2.128,1008 1.369,1009 102.613,1010 1.761,1011 9.006,1015 3.955,1017 32.897,1018 344.623,1019 28.5,1024 11.931,1028 -0.362,1031 37.145,1032 41.82,1034 0.3,1035 0.682,1036 0.868,1037 0.899,1038 0.899,1039 0.899,1040 4.642,1041 0.908,1042 5.587,1043 2.589,1044 4.174,1045 4.736,1046 1.888,1047 6.466,1048 4.112,1049 5.884,1050 0.634,1051 7.194,1052 1.914,1053 3.892,1054 4.796,1056 7.483,1057 3.825,1058 7.232,1059 0.039,1060 8.901,1061 1.36,1062 5.832,1063 7.068,1064 2.817,1065 10.623,1066 5.724,1067 8.62,1068 -0.273,1069 10.665,1070 0.098,1071 6.365,1072 7.927,1074 12.426,1075 6.255,1076 10.04,1077 -0.586,1078 12.463,1079 -0.711,1080 7.798,1081 9.725,1082 3.808,1083 15.09,1084 7.654,1085 11.482,1086 -0.792,1087 14.284,1088 -0.923,1089 8.684,1090 10.935,1092 17.217,1093 8.532,1094 12.94,1095 -1.082,1096 16.121,1097 -2.176,1098 9.935,1099 12.559,1100 4.825,1101 19.712,1102 9.755,1103 3.256,1104 -1.283,1105 17.97,1106 -3.008,1107 10.976,1108 13.933,1110 21.983,1111 10.781,1112 2.913,1113 11.179,1114 19.827,1115 -3.429,1116 12.162,1117 15.491,1118 5.851,1119 24.416,1120 11.942,1121 2.431,1122 9.693,1123 21.692,1124 4.617,1125 13.271,1126 16.943,1128 26.754,1129 13.031,1130 2.129,1131 8.141,1132 23.563,1133 3.803,1134 14.437,1135 18.477,1136 6.88,1137 29.165,1138 14.174,1139 1.839,1140 6.469,1141 25.439,1142 3.219,1143 15.576,1144 19.967,1146 31.535,1147 15.291,1148 1.324,1149 5.076,1150 27.318,1151 2.904,1152 16.738,1153 21.492,1154 7.91,1155 33.939,1156 16.429,1157 1.141,1158 3.581,1159 29.202,1160 2.364,1161 17.892,1162 23,1164 36.326,1165 17.56,1166 3345,1167 5425,1168 14.334,1169 24.256,1170 33.36,1171 34.762,1172 35.305,1173 33.252,1174 33.232,1175 43.211,1176 3.349,1177 100.201,1178 32.125,1179 5.501,1180 5.689,1181 6.573,1182 5.294,1183 5.256,1184 7.617,1185 3.349,1186 18.727,1187 5.164,1188 10.517,1189 1.516,1190 1.58,1191 1.605,1192 1.511,1193 1.511,1194 1.964,1195 0.152,1196 4.555,1197 1.46,1198 4.115,1199 4.147,1200 4.087,1201 4.023,1202 7.433,1203 4.035,1204 3.766,1205 3.801,1206 3.695,1207 3.661,1208 5.164,1209 3.662,1210 3.523,1211 3.578,1212 3.391,1213 3.302,1214 4.842,1215 3.309,1216 3.323,1217 3.397,1218 3.17,1219 3.177,1220 4.481,1221 3.165,1222 3.144,1223 3.188,1224 3.029,1225 2.906,1226 4.371,1227 2.928,1228 3.015,1229 3.124,1230 2.844,1231 2.761,1232 3.916,1233 2.767,1234 2.789,1235 2.866,1236 2.627,1237 2.547,1238 3.846,1239 2.564,1240 2.661,1241 2.763,1242 2.391,1243 2.393,1244 3.606,1245 2.384,1246 0.213,1247 0.168,1248 0.309,1249 0.192,1250 0.148,1251 4.677,1252 0.21,1253 3.689,1254 0.076,1255 6.804,1256 0.508,1257 4.233,1258 0.145,1259 3.256,1260 4.617,1261 1.674,1262 11.179,1263 3.181,1264 2.012,1265 1.988,1266 2.059,1267 2.123,1268 1.226,1269 2.105,1270 1.595,1271 1.566,1272 1.832,1273 1.785,1274 1.165,1275 1.784,1276 1.554,1277 1.488,1278 1.806,1279 1.731,1280 0.944,1281 1.768,1282 1.459,1283 1.389,1284 1.718,1285 1.667,1286 0.891,1287 1.69,1288 1.147,1289 1.073,1290 1.449,1291 1.369,1292 0.595,1293 1.395,1294 0.967,1295 0.946,1296 1.221,1297 1.273,1298 0.196,1299 1.268,1300 0.851,1301 0.736,1302 1.086,1303 1.214,1304 0.1,1305 1.181,1306 0.558,1307 0.475,1308 0.943,1309 0.886,1311 0.905,1312 3.807,1314 5.153,1315 2.398,1316 6.708,1317 4.595,1318 8.368,1319 6.605,1320 10.087,1322 3.571,1326 6.231,1328 3.323,1330 5.05,1340 23.181,1341 57.905,1342 131.447,1343 167.24,1344 173.24,1345 173.24,1346 173.24,1347 32.039,1348 6.896,1349 78.1,1350 78.1,1351 17,1352 12.46,1353 3.7,1354 2.907,1355 29.819,1356 56,1357 62,1358 0.282,1359 143.286,1360 243.92,1361 341.379,1362 7583,1364 14.276,1365 0.714,1366 0.585,1367 14.276,1368 11.694,1369 9.613,1370 0.437,1371 0.312,1372 6.785,1373 9.241,1374 6.577,1375 5.444,1376 9.613,1377 6.872,1378 8.752,1379 0.274,1380 0.157,1381 8.752,1382 5.017,1383 7.704,1384 0.171,1385 0.083,1386 7.704,1387 3.733,1388 6.7,1389 0.11,1390 0.045,1391 6.7,1392 2.723,1393 4.922,1394 0.065,1395 0.022,1396 4.922,1397 1.676,1398 0.421,1399 60.271,1400 0.264,1401 19.359,1402 0.84,1403 108,1404 318.074,1405 119.057,1406 305.062,1407 422.33,1408 286,1409 131,1410 317.57,1411 141.645,1412 319.508,1413 475.53,1414 302,1415 5.678}
{0 CHEMBL1084519,1 1.483,2 9,3 3.234,4 10.46,5 88.16,6 6.814,7 0.44,8 3.907,9 4.035,10 3.394,11 3.433,12 4.937,13 3.397,14 4.48,15 4.672,16 3.757,17 3.83,18 5.484,19 3.764,20 4.751,21 4.977,22 3.934,23 4.02,24 5.713,25 3.953,26 4.841,27 5.056,28 3.935,29 4.056,30 5.932,31 3.971,32 4.861,33 5.111,34 3.725,35 3.967,36 5.835,37 3.858,38 4.679,39 4.927,40 3.613,41 3.833,42 5.729,43 3.709,44 4.614,45 4.877,46 3.31,47 3.699,48 5.497,49 3.544,50 4.476,51 4.764,52 3.084,53 3.488,54 5.295,55 3.316,56 0.031,57 0.665,58 10.441,59 4.383,60 6.838,61 6.048,62 0.232,63 1.064,64 19.664,65 7.527,66 24.753,67 10.667,68 0.199,69 1.357,70 26.299,71 9.085,72 26.525,73 13.433,74 0.388,75 1.463,76 29.082,77 9.657,78 54.354,79 14.182,80 0.407,81 1.393,82 30.521,83 9.066,84 53.918,85 13.751,86 0.4,87 1.191,88 24.967,89 8.139,90 54.469,91 12.395,92 0.257,93 1.05,94 23.613,95 7.72,96 35.832,97 11.526,98 0.224,99 0.851,100 20.833,101 6.914,102 31.014,103 10.255,104 20,105 35,106 0.257,107 0.572,108 0.763,109 0.824,110 0.846,111 0.861,112 3.19,113 1.005,114 -4.07,115 -4.01,116 -3.8,121 39.1,122 2,123 6,127 1,144 1,145 3,146 1,148 2,151 1,160 1,165 1,166 1,167 1,176 8,179 2,180 9,185 2,187 9,189 2,192 6,197 2,200 9,203 2,205 2,206 11,208 2,209 2,211 3,214 9,216 3,219 3,224 2,227 6,229 2,231 2,232 5,234 2,235 2,237 2,239 9,241 2,244 3,251 5,256 5,261 1,264 4,266 1,269 4,277 2,281 628,282 15.56,283 15.56,284 15.56,285 15.56,286 15.56,287 14.103,288 13.807,289 9.286,290 15.882,291 12.293,292 12.293,293 12.293,294 12.293,295 12.293,296 9.916,297 8.79,298 4.328,299 12.711,300 4.04,301 2.227,302 1.12,303 0.772,304 0.642,305 0.555,306 3.871,310 1,311 1,312 1,313 437,314 2.915,318 77.369,320 64.965,322 66.159,324 88.579,325 1.391,326 24.733,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 49.5,338 207,339 4.673,340 3.689,341 6.801,342 4.226,343 3.249,344 4.615,345 1.674,346 11.171,347 3.173,348 4.245,349 3.327,350 6.392,351 3.889,352 2.903,353 3.797,355 9.686,356 2.856,357 3.781,358 2.784,359 5.922,360 3.391,361 2.411,362 3.206,364 8.115,365 2.359,366 3.52,367 2.412,368 5.32,369 3.097,370 2.146,371 2.906,373 6.488,374 2.033,375 3.205,376 2.192,377 4.848,378 2.817,379 1.862,380 2.37,382 5.098,383 1.767,384 2.755,385 1.814,386 4.252,387 2.707,388 1.71,389 1.773,391 3.764,392 1.704,393 2.697,394 1.718,395 3.845,396 2.43,397 1.461,398 1.724,400 3.529,401 1.41,402 2.325,403 1.635,404 3.755,405 2.132,406 1.184,407 1.31,409 2.761,410 1.115,411 2.081,412 1.302,413 3.262,414 1.827,415 0.849,416 0.986,418 1.517,419 0.818,420 1.585,421 0.585,422 3.014,423 1.386,424 0.414,425 0.458,427 0.981,428 0.401,429 1.466,430 0.506,431 2.794,432 1.203,433 0.208,434 0.237,436 0.5,437 0.206,438 1.148,439 0.252,440 2.61,441 0.936,442 -0.037,443 -0.043,445 -0.087,446 -0.036,447 0.907,448 0.121,449 2.579,450 0.596,451 -0.357,452 -0.437,454 -0.894,455 -0.339,456 0.674,457 -0.184,458 2.223,459 0.394,460 -0.587,461 -0.678,463 -0.941,464 -0.566,465 0.559,466 -0.672,467 2,468 0.171,469 -0.812,470 -1.046,472 -2.141,473 -0.794,474 10.867,475 0.472,476 0.559,477 0.024,478 26.5,479 1.152,480 12,481 0.522,482 14.5,483 0.63,484 21.94,485 0.954,486 25.733,487 0.559,488 18.182,489 0.791,490 4.639,491 0.202,492 6.474,493 0.281,494 0.16,496 0.368,501 0.784,502 1.296,503 0.872,504 1.16,505 0.708,506 1.042,507 0.664,508 1.145,509 0.797,510 1.037,511 0.471,512 0.956,513 0.895,514 1.114,515 0.786,516 0.921,517 0.684,518 0.846,519 1.003,520 1.182,521 1.067,522 1.142,523 1.141,524 1.115,525 1.424,526 0.995,527 1.167,528 0.932,529 1.524,530 0.991,531 0.679,532 1.061,533 1.049,534 1.094,535 0.686,536 1.108,537 1.104,538 1.025,539 1.187,540 1.106,541 1.137,542 1.143,543 1.015,544 0.899,545 0.992,546 0.978,547 1.034,548 0.983,549 4,550 0.033,551 2.889,552 2.063,553 1.76,554 0.993,555 0.546,556 0.366,557 0.156,558 0.076,559 4907,560 11101,561 2.041,562 50,563 10,564 3,567 2,568 5,569 3,572 1.662,573 1.89,574 3.138,575 0.278,576 1,577 1,582 68.228,583 1.483,584 3.297,585 4.404,586 4.752,587 4.882,588 4.969,589 2.682,590 4.143,591 4.492,592 3.228,593 816.708,594 7.762,595 8864.15,597 1,599 1,600 254.084,601 1.478,602 4.443,603 0.16,604 0.005,605 0.083,606 0.049,607 0.045,608 0.032,609 0.02,610 0.019,611 0.01,612 0.008,613 0.432,614 0.5,615 1,616 1.226,617 105.264,618 -0.037,619 -0.046,620 0.044,621 -0.003,622 -0.051,623 0.03,624 0.207,625 -0.052,626 0.151,627 0.039,628 0.185,629 0.076,630 -0.016,631 -0.052,632 0.178,633 0.097,634 0.057,635 0.155,636 0.06,637 -0.094,638 -0.085,639 -0.151,640 0.048,641 -0.144,642 -0.233,643 0.024,644 -0.158,646 -0.22,647 -0.055,648 0.193,649 -0.015,650 -0.08,651 -0.128,652 0.176,653 -0.139,654 -0.147,655 -0.048,656 -0.212,657 -0.147,658 -0.169,659 -0.177,660 -0.058,661 -0.013,662 -0.011,663 -0.026,664 -0.064,665 -0.011,666 2.023,667 5.086,668 0.696,669 17.909,670 0.996,671 1.132,672 2.837,673 8.046,674 0.642,675 3.258,676 3.584,677 3.892,678 4.174,679 4.443,680 4.635,681 4.762,682 4.868,683 4.934,684 4.898,685 5.155,686 0.604,687 313.44,688 3.258,689 4.796,690 5.659,691 6.55,692 7.438,693 8.34,694 9.238,695 10.147,696 11.05,697 11.962,698 6.5,702 1,708 2,714 2,715 1,716 2,720 5,722 11,732 1,733 1,741 46,743 12,745 25,747 48,748 18,749 8,752 1,756 3,757 6,763 2,767 6,770 6,772 9,773 9,777 1,782 1,786 1,789 1,790 1,793 23,794 5,795 2,796 5,802 3,808 0.333,809 2,822 2,829 2,831 1,833 1,835 1,859 1,864 2,868 23,869 1,876 7,878 1,893 4.3,896 1,898 1,901 12.167,902 8.9,903 5.167,904 3.242,907 2.474,908 1.342,909 0.973,910 4.698,911 9.714,912 3.481,913 4.103,914 4.745,915 5.376,916 6.014,917 6.479,918 6.881,919 7.287,920 7.603,921 7.607,922 1,923 42,924 8.558,926 3.623,927 0.026,929 7.688,931 16.601,933 13.738,936 2.188,937 50.333,940 1,941 247.193,942 73.047,943 66.468,945 36.145,948 73.047,949 283.338,950 66.468,951 17.65,952 19.8,953 42.373,954 65.907,955 29.93,957 247.193,959 247.193,960 139.515,961 36.145,964 213.595,965 71.458,968 42.963,969 61.266,970 33.571,972 247.193,973 102.613,974 73.047,977 247.193,978 45.921,979 27.127,981 102.613,982 247.193,983 102.613,984 73.047,986 0.575,987 0.347,988 0.195,989 0.108,990 17,991 8,992 0.063,993 3,994 2,995 1.25,996 3.362,997 189.648,998 0.25,999 16,1000 104.042,1005 16.042,1006 6.736,1007 3.123,1008 1.394,1009 102.613,1010 1.789,1011 9.252,1015 4.042,1017 32.897,1018 422.853,1019 31.5,1024 12.086,1028 -0.356,1031 45.796,1032 52.066,1034 0.269,1035 0.597,1036 0.797,1037 0.86,1038 0.884,1039 0.9,1040 4.725,1041 1.184,1042 5.652,1043 3.529,1044 4.263,1045 4.787,1046 1.888,1047 6.503,1048 4.206,1049 5.941,1050 0.849,1051 7.238,1052 2.761,1053 3.892,1054 4.796,1056 7.483,1057 3.825,1058 7.272,1059 0.414,1060 8.929,1061 1.517,1062 5.883,1063 7.083,1064 2.817,1065 10.63,1066 5.781,1067 8.646,1068 0.208,1069 10.682,1070 0.981,1071 6.347,1072 7.922,1074 12.421,1075 6.235,1076 10.055,1077 -0.037,1078 12.473,1079 0.5,1080 7.812,1081 9.725,1082 3.808,1083 15.088,1084 7.671,1085 11.488,1086 -0.357,1087 14.289,1088 -0.087,1089 8.66,1090 10.929,1092 17.21,1093 8.505,1094 12.94,1095 -0.587,1096 16.122,1097 -0.894,1098 9.926,1099 12.555,1100 4.825,1101 19.707,1102 9.747,1103 3.249,1104 -0.812,1105 17.969,1106 -0.941,1107 10.948,1108 13.927,1110 21.976,1111 10.749,1112 2.903,1113 11.171,1114 19.825,1115 -2.141,1116 12.141,1117 15.485,1118 5.851,1119 24.409,1120 11.919,1121 2.411,1122 9.686,1123 21.689,1124 4.615,1125 13.24,1126 16.937,1128 26.746,1129 12.996,1130 2.146,1131 8.115,1132 23.559,1133 3.797,1134 14.408,1135 18.471,1136 6.88,1137 29.156,1138 14.141,1139 1.862,1140 6.488,1141 25.433,1142 3.206,1143 15.541,1144 19.96,1146 31.526,1147 15.252,1148 1.71,1149 5.098,1150 27.313,1151 2.906,1152 16.703,1153 21.486,1154 7.91,1155 33.929,1156 16.39,1157 1.461,1158 3.764,1159 29.195,1160 2.37,1161 17.853,1162 22.994,1164 36.316,1165 17.516,1166 4892,1167 7505,1168 16.414,1169 29.54,1170 36.945,1171 38.155,1172 38.821,1173 36.825,1174 36.792,1175 46.765,1176 3.349,1177 107.219,1178 35.684,1179 5.634,1180 5.689,1181 6.626,1182 5.281,1183 5.249,1184 7.615,1185 3.349,1186 18.717,1187 5.173,1188 11.66,1189 1.478,1190 1.526,1191 1.553,1192 1.473,1193 1.472,1194 1.871,1195 0.134,1196 4.289,1197 1.427,1198 4.105,1199 4.136,1200 4.077,1201 4.011,1202 7.433,1203 4.023,1204 3.787,1205 3.833,1206 3.69,1207 3.68,1208 5.161,1209 3.674,1210 3.581,1211 3.623,1212 3.469,1213 3.411,1214 4.842,1215 3.416,1216 3.446,1217 3.516,1218 3.289,1219 3.264,1220 4.476,1221 3.256,1222 3.386,1223 3.464,1224 3.207,1225 3.24,1226 4.359,1227 3.221,1228 3.144,1229 3.217,1230 2.994,1231 2.974,1232 4.07,1233 2.956,1234 3.073,1235 3.114,1236 2.935,1237 2.857,1238 3.865,1239 2.886,1240 2.956,1241 3.078,1242 2.773,1243 2.643,1244 3.743,1245 2.667,1246 0.187,1247 0.148,1248 0.272,1249 0.169,1250 0.13,1251 4.673,1252 0.185,1253 3.689,1254 0.067,1255 6.801,1256 0.447,1257 4.226,1258 0.127,1259 3.249,1260 4.615,1261 1.674,1262 11.171,1263 3.173,1264 2.042,1265 2.016,1266 2.128,1267 2.154,1268 1.437,1269 2.144,1270 1.787,1271 1.742,1272 1.97,1273 1.93,1274 1.167,1275 1.949,1276 1.527,1277 1.483,1278 1.802,1279 1.758,1280 1.042,1281 1.767,1282 1.448,1283 1.378,1284 1.717,1285 1.64,1286 0.941,1287 1.665,1288 1.412,1289 1.339,1290 1.685,1291 1.6,1292 0.879,1293 1.639,1294 1.148,1295 1.072,1296 1.46,1297 1.37,1298 0.622,1299 1.399,1300 0.988,1301 0.958,1302 1.249,1303 1.285,1304 0.271,1305 1.284,1306 0.865,1307 0.754,1308 1.103,1309 1.229,1310 0.226,1311 1.2,1312 3.932,1314 5.252,1316 6.779,1318 8.42,1320 10.125,1322 3.598,1326 6.421,1328 7,1330 5.107,1340 27.762,1341 68.228,1342 151.645,1343 202.574,1344 218.574,1345 224.574,1346 228.574,1347 41.172,1348 7.239,1349 78.1,1350 78.1,1351 20,1352 12.478,1353 3.7,1354 2.907,1355 36.642,1356 72,1357 80,1358 0.265,1359 172.063,1360 295.82,1361 411.595,1362 12444,1364 16.397,1365 0.713,1366 0.601,1367 16.397,1368 13.815,1369 11.113,1370 0.445,1371 0.335,1372 8.285,1373 10.741,1374 8.047,1375 6.694,1376 11.113,1377 8.372,1378 9.813,1379 0.28,1380 0.174,1381 9.813,1382 6.078,1383 8.454,1384 0.176,1385 0.093,1386 8.454,1387 4.483,1388 7.225,1389 0.113,1390 0.051,1391 7.225,1392 3.238,1393 5.701,1394 0.068,1395 0.028,1396 5.701,1397 2.325,1398 0.4,1399 69.271,1400 0.247,1401 22.04,1402 0.776,1403 120,1404 330.074,1405 131.057,1406 317.547,1407 439.61,1408 298,1409 143,1410 329.57,1411 153.645,1412 331.993,1413 492.81,1414 314,1415 5.745}
{0 CHEMBL1084530,1 1.253,2 15.581,3 6.575,4 43.236,5 131.872,6 6.219,7 0.5,8 4.255,9 4.401,10 3.673,11 3.816,12 5.153,13 3.748,14 4.838,15 5.047,16 3.956,17 4.219,18 5.643,19 4.104,20 5.154,21 5.435,22 4.003,23 4.345,24 5.856,25 4.192,26 5.129,27 5.409,28 3.913,29 4.307,30 5.826,31 4.141,32 5.117,33 5.396,34 3.836,35 4.309,36 5.772,37 4.129,38 5.142,39 5.428,40 3.727,41 4.303,42 5.761,43 4.094,44 5.133,45 5.443,46 3.582,47 4.223,48 5.707,49 3.989,50 5.015,51 5.334,52 3.453,53 4.077,54 5.575,55 3.844,56 0.084,57 0.969,58 16.22,59 6.536,60 10.94,61 9.59,62 0.171,63 1.592,64 28.897,65 11.125,66 20.25,67 16.596,68 0.269,69 1.979,70 39.267,71 14.299,72 29.312,73 21.77,74 0.331,75 1.928,76 38.435,77 13.946,78 30.417,79 21.12,80 0.258,81 1.878,82 37.661,83 14.292,84 25.188,85 21.416,86 0.236,87 1.872,88 38.265,89 15.19,90 24.72,91 22.453,92 0.227,93 1.781,94 37.659,95 14.982,96 24.597,97 22.162,98 0.212,99 1.562,100 33.427,101 13.033,102 22.04,103 19.408,105 43,106 0.199,107 0.479,108 0.641,109 0.765,110 0.818,111 0.845,112 3.47,113 1.076,114 -5.01,115 -4.91,116 -4.61,121 40.3,123 11,127 2,144 6,145 2,146 2,147 2,148 2,176 14,180 6,185 6,187 15,192 4,197 4,200 10,206 2,209 2,211 6,214 13,224 4,227 16,232 2,237 2,239 17,244 2,249 2,251 14,256 2,261 2,264 12,269 2,277 12,281 1824,282 21.916,283 21.916,284 21.916,285 21.916,286 21.916,287 19.877,288 19.688,289 13.975,290 22.167,291 16.903,292 16.903,293 16.903,294 16.903,295 16.903,296 13.835,297 24.908,298 6.765,299 17.3,300 4.813,301 3.049,302 2.033,303 1.253,304 0.918,305 0.746,306 4.179,312 1,313 1063,314 3.742,318 351.59,322 266.521,325 2.385,326 11.84,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 64,338 483,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.4,346 11.348,347 3.162,348 3.914,349 2.669,350 5.982,351 3.524,352 2.532,353 3.444,354 0.4,355 8.37,356 2.512,357 3.896,358 2.659,359 5.381,360 3.487,361 2.522,362 3.437,364 6.965,365 2.433,366 3.522,367 2.356,368 5.34,369 3.136,370 2.182,371 2.893,373 6.711,374 2.08,375 2.977,376 1.941,377 4.116,378 2.913,379 1.917,380 2.142,382 3.872,383 1.909,384 2.94,385 1.809,386 3.988,387 2.698,388 1.718,389 2.121,391 3.558,392 1.684,393 2.897,394 1.66,395 3.894,396 2.518,397 1.542,398 1.919,400 3.329,401 1.508,402 2.707,403 1.538,404 3.736,405 2.459,406 1.503,407 1.727,409 3.307,410 1.43,411 2.588,412 1.447,413 3.621,414 2.345,415 1.347,416 1.611,418 3.118,419 1.343,420 2.5,421 1.364,422 3.594,423 2.277,424 1.311,425 1.5,427 2.902,428 1.262,429 2.489,430 1.35,431 3.521,432 2.242,433 1.247,434 1.488,436 2.767,437 1.24,438 2.377,439 1.11,440 3.297,441 1.984,442 1,443 1.373,445 2.213,446 0.983,447 2.077,448 1,449 3.247,450 1.97,451 1,452 1.057,454 2.136,455 0.968,456 1.836,457 0.812,458 3,459 1.69,460 0.711,461 0.779,463 1.569,464 0.695,465 1.529,466 0.492,467 2.847,468 1.359,469 0.392,470 0.43,472 0.85,473 0.378,474 15.1,475 0.487,476 0.342,477 0.011,478 36,479 1.161,480 17,481 0.548,482 19,483 0.613,484 30.741,485 0.992,486 34.1,487 0.509,488 21.451,489 0.692,490 6.118,491 0.197,492 9.298,493 0.3,496 0.199,501 1.016,502 1.309,503 0.995,504 1.138,505 0.802,506 1.077,507 1.092,508 1.295,509 1.098,510 1.192,511 0.873,512 1.153,513 1.074,514 1.026,515 0.911,516 0.93,517 0.881,518 0.913,519 1.151,520 0.97,521 1.028,522 0.974,523 1.008,524 0.989,525 1.12,526 0.976,527 1.077,528 1.02,529 1.035,530 1.041,531 0.887,532 1.009,533 1.097,534 1.101,535 0.97,536 1.112,537 0.734,538 0.953,539 1,540 1.036,541 0.866,542 1.037,543 0.768,544 0.889,545 0.937,546 0.951,547 0.845,548 0.955,549 2.5,550 0.066,551 2,552 1.25,553 1.191,554 0.417,555 0.279,556 0.142,557 0.106,558 0.082,559 17200,560 32948,561 2.163,562 53.7,563 16,564 10,566 2,567 2,568 2,569 4,572 1.726,573 2.138,574 3.809,575 0.097,582 83.929,583 1.253,584 3.018,585 4.034,586 4.813,587 5.148,588 5.32,589 3.126,590 4.309,591 4.926,592 4.095,593 1904.06,594 8.542,595 31094.5,600 406.428,601 0.709,602 4.933,603 0.074,604 0.003,605 0.047,606 0.028,607 0.031,608 0.012,609 0.009,610 0.005,611 0.005,612 0.004,613 0.217,614 0.33,615 0.88,617 168.631,618 0.018,619 -0.067,620 0.057,621 0.007,622 0.178,623 0.03,624 -0.035,625 -0.167,626 -0.074,627 -0.126,628 0.103,629 -0.107,630 0.021,631 -0.022,632 0.086,633 0.049,634 0.109,635 0.068,636 0.029,637 0.046,638 -0.025,639 -0.003,640 0.003,641 -0.016,642 -0.13,643 0.023,644 -0.089,645 -0.028,646 -0.141,647 -0.051,648 -0.099,649 -0.048,650 -0.131,651 -0.099,652 -0.153,653 -0.114,654 -0.024,655 -0.044,656 -0.05,657 -0.053,658 -0.08,659 -0.053,660 -0.005,661 0.009,662 0.014,663 0.015,664 -0.041,665 0.016,666 0.524,667 1.946,668 0.645,669 38.081,670 0.978,671 1.129,672 3.784,673 14.317,674 0.645,675 3.555,676 3.784,677 4.043,678 4.304,679 4.554,680 4.564,681 4.673,682 4.754,683 4.796,684 4.644,685 9.34,686 0.59,687 416.67,688 3.555,689 5.043,690 5.866,691 6.708,692 7.556,693 8.416,694 9.28,695 10.151,696 11.025,697 11.905,698 6,703 2,708 2,714 2,715 8,716 2,720 4,722 17,734 2,741 67,743 17,744 1,745 34,747 70,748 27,749 14,750 2,751 4,756 4,757 7,767 4,770 11,772 14,773 13,793 36,794 4,795 2,796 4,802 4,808 0.5,822 2,829 4,833 2,859 2,868 31,876 13,877 2,901 14.5,902 11.567,903 7.111,904 4.747,907 3.097,908 1.4,909 0.99,910 8.44,911 10.837,912 3.773,913 4.29,914 4.869,915 5.459,916 6.041,917 6.265,918 6.618,919 6.944,920 7.228,921 7.038,922 0.9,923 44,924 11.518,926 4.719,927 0.026,929 7.323,931 23.339,933 19.413,936 1.823,937 56.5,941 400.217,942 123.217,943 69.593,948 123.217,949 400.217,950 69.593,952 32.091,953 56.857,954 93.135,955 34.268,957 376.675,959 400.217,960 192.809,964 353.133,965 47.084,968 55.087,969 68.13,970 69.593,972 400.217,973 69.593,974 123.217,977 400.217,978 48.264,979 74.952,980 36.022,981 33.571,982 400.217,983 69.593,984 123.217,986 0.548,987 0.314,988 0.18,989 0.102,990 18,991 6,992 0.171,993 12,994 2,995 1.2,996 4.632,997 253.902,998 0.2,999 20,1000 147.58,1005 21.928,1006 11.932,1007 6.351,1008 2.438,1009 69.593,1010 16.342,1011 8.993,1015 5.337,1017 36.022,1018 593.027,1019 42.5,1031 65.545,1032 75.636,1034 0.207,1035 0.497,1036 0.665,1037 0.793,1038 0.849,1039 0.877,1040 4.958,1041 1.503,1042 5.771,1043 3.329,1044 4.466,1045 4.977,1046 0.495,1047 6.506,1048 4.42,1049 6.09,1050 1.347,1051 7.262,1052 3.307,1053 3.611,1054 4.559,1056 7.286,1057 3.544,1058 7.351,1059 1.311,1060 8.87,1061 3.118,1062 5.948,1063 7.139,1064 0.097,1065 10.474,1066 5.858,1067 8.66,1068 1.247,1069 10.559,1070 2.902,1071 6.089,1072 7.727,1074 12.254,1075 5.979,1076 10.017,1077 1,1078 12.305,1079 2.767,1080 7.751,1081 9.688,1082 0.016,1083 14.923,1084 7.621,1085 11.409,1086 1,1087 14.091,1088 2.213,1089 8.417,1090 10.755,1092 17.087,1093 8.267,1094 12.829,1095 0.711,1096 15.907,1097 2.136,1098 9.776,1099 12.456,1100 0.003,1101 19.595,1102 9.608,1103 3.226,1104 0.392,1105 17.744,1106 1.569,1107 10.708,1108 13.757,1110 21.913,1111 10.521,1112 2.532,1113 11.348,1114 19.596,1115 0.85,1116 11.941,1117 15.347,1119 24.368,1120 11.734,1121 2.522,1122 8.37,1123 21.46,1124 4.564,1125 13.001,1126 16.762,1128 26.749,1129 12.774,1130 2.182,1131 6.965,1132 23.333,1133 3.444,1134 14.185,1135 18.306,1137 29.186,1138 13.94,1139 1.917,1140 6.711,1141 25.214,1142 3.437,1143 15.304,1144 19.775,1146 31.594,1147 15.039,1148 1.718,1149 3.872,1150 27.101,1151 2.893,1152 16.474,1153 21.301,1155 34.025,1156 16.189,1157 1.542,1158 3.558,1159 28.994,1160 2.142,1161 17.619,1162 22.796,1164 36.444,1165 17.314,1166 16014,1167 22291,1168 23.92,1169 43.205,1170 48.319,1171 48.655,1172 49.067,1173 48.431,1174 48.434,1175 61.124,1176 1.6,1177 126.342,1178 47.301,1179 5.608,1180 5.361,1181 6.765,1182 5.247,1183 5.226,1184 7.564,1185 0.8,1186 18.879,1187 5.162,1189 1.421,1190 1.431,1191 1.443,1192 1.424,1193 1.425,1194 1.798,1195 0.047,1196 3.716,1197 1.391,1198 4.114,1199 4.146,1200 4.074,1201 4.041,1202 4.975,1203 4.045,1204 3.89,1205 3.943,1206 3.817,1207 3.765,1208 4.912,1209 3.77,1210 3.777,1211 3.839,1212 3.628,1213 3.661,1214 4.413,1215 3.646,1216 3.732,1217 3.781,1218 3.61,1219 3.647,1220 4.281,1221 3.631,1222 3.619,1223 3.692,1224 3.453,1225 3.473,1226 4.232,1227 3.457,1228 3.414,1229 3.498,1230 3.252,1231 3.24,1232 4.075,1233 3.231,1234 3.25,1235 3.321,1236 3.1,1237 3.115,1238 3.976,1239 3.101,1240 3.145,1241 3.226,1242 3.009,1243 2.97,1244 3.848,1245 2.967,1246 0.136,1247 0.099,1248 0.201,1249 0.124,1250 0.095,1251 4.64,1252 0.134,1253 3.361,1254 0.012,1255 6.829,1256 0.334,1257 4.207,1258 0.093,1259 3.226,1260 4.564,1261 0.4,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.438,1269 2.163,1270 1.845,1271 1.798,1272 2.057,1273 2.003,1274 1.414,1275 2.016,1276 1.788,1277 1.731,1278 1.962,1279 1.942,1280 1.256,1281 1.96,1282 1.754,1283 1.709,1284 1.948,1285 1.872,1286 1.146,1287 1.902,1288 1.633,1289 1.564,1290 1.881,1291 1.814,1292 1.025,1293 1.842,1294 1.411,1295 1.334,1296 1.696,1297 1.632,1298 0.917,1299 1.658,1300 1.255,1301 1.193,1302 1.5,1303 1.444,1304 0.76,1305 1.468,1306 1.136,1307 1.06,1308 1.443,1309 1.352,1310 0.703,1311 1.381,1312 4.234,1314 5.485,1316 6.948,1318 8.525,1320 10.173,1328 16.133,1329 7.258,1340 39.514,1341 83.929,1342 202.177,1343 270.25,1344 322.454,1345 344.918,1346 356.428,1347 44.176,1348 7.74,1349 49.84,1350 49.84,1351 24,1352 12.444,1353 4.17,1354 3.248,1355 50.179,1356 176,1357 175,1358 0.133,1359 243.948,1360 416.4,1361 586.993,1362 31762,1364 21.142,1365 0.682,1366 0.603,1367 21.142,1368 18.706,1369 15.416,1370 0.453,1371 0.359,1372 12.127,1373 15.136,1374 11.899,1375 9.926,1376 15.416,1377 12.199,1378 12.58,1379 0.293,1380 0.202,1381 12.58,1382 8.701,1383 10.516,1384 0.188,1385 0.113,1386 10.516,1387 6.334,1388 8.846,1389 0.121,1390 0.063,1391 8.846,1392 4.624,1393 7.422,1394 0.079,1395 0.036,1396 7.422,1397 3.403,1398 0.223,1399 94.311,1400 0.204,1401 30.566,1402 0.326,1403 154,1404 313.956,1405 160.883,1406 316.719,1407 451.86,1408 302,1409 176,1410 343.31,1411 183.327,1412 351.306,1413 512.05,1414 335,1415 7.081}
{0 CHEMBL1084531,1 1.243,2 16.375,3 7.032,4 49.443,5 136.473,6 6.153,7 0.486,8 4.296,9 4.442,10 3.703,11 3.854,12 5.183,13 3.783,14 4.881,15 5.092,16 3.981,17 4.257,18 5.675,19 4.138,20 5.201,21 5.484,22 4.028,23 4.384,24 5.89,25 4.227,26 5.177,27 5.46,28 3.94,29 4.348,30 5.861,31 4.178,32 5.166,33 5.447,34 3.865,35 4.35,36 5.809,37 4.166,38 5.189,39 5.478,40 3.76,41 4.345,42 5.799,43 4.132,44 5.181,45 5.492,46 3.619,47 4.267,48 5.747,49 4.031,50 5.069,51 5.389,52 3.495,53 4.129,54 5.62,55 3.893,56 0.088,57 1.008,58 17.052,59 6.881,60 11.35,61 10.109,62 0.178,63 1.656,64 30.306,65 11.704,66 20.914,67 17.472,68 0.278,69 2.058,70 41.035,71 15.024,72 30.071,73 22.872,74 0.339,75 2.006,76 40.203,77 14.679,78 31.108,79 22.226,80 0.265,81 1.957,82 39.415,83 15.031,84 25.819,85 22.522,86 0.243,87 1.951,88 39.974,89 15.92,90 25.298,91 23.531,92 0.234,93 1.858,94 39.284,95 15.689,96 25.07,97 23.197,98 0.218,99 1.64,100 35.045,101 13.739,102 22.504,103 20.442,105 44,106 0.196,107 0.467,108 0.625,109 0.747,110 0.803,111 0.835,112 3.501,113 1.089,114 -5.21,115 -5.1,116 -4.77,121 40,123 12,127 2,144 6,145 2,146 2,147 2,148 2,176 15,180 6,185 6,187 16,192 4,197 4,200 11,206 2,209 2,211 6,214 14,224 4,227 17,232 2,237 2,239 18,244 2,249 2,251 15,256 2,261 2,264 12,269 2,274 2,277 12,281 2000,282 22.623,283 22.623,284 22.623,285 22.623,286 22.623,287 20.584,288 19.688,289 14.475,290 22.874,291 17.403,292 17.403,293 17.403,294 17.403,295 17.403,296 14.335,297 24.908,298 7.015,299 17.8,300 4.886,301 3.162,302 2.164,303 1.386,304 1.029,305 0.829,306 4.209,312 1,313 1151,314 3.873,318 371.194,322 281.599,325 2.555,326 11.897,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 66,338 524,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.4,346 11.348,347 3.162,348 3.914,349 2.669,350 5.982,351 3.524,352 2.532,353 3.444,354 0.4,355 8.37,356 2.512,357 3.896,358 2.659,359 5.381,360 3.487,361 2.522,362 3.437,364 6.965,365 2.433,366 3.522,367 2.356,368 5.34,369 3.136,370 2.182,371 2.893,373 6.711,374 2.08,375 2.978,376 1.948,377 4.116,378 2.927,379 1.93,380 2.142,382 3.89,383 1.923,384 2.941,385 1.829,386 3.99,387 2.739,388 1.754,389 2.121,391 3.606,392 1.728,393 2.909,394 1.686,395 3.907,396 2.528,397 1.565,398 1.931,400 3.341,401 1.514,402 2.743,403 1.562,404 3.76,405 2.492,406 1.516,407 1.759,409 3.329,410 1.472,411 2.601,412 1.458,413 3.639,414 2.345,415 1.378,416 1.629,418 3.163,419 1.343,420 2.5,421 1.405,422 3.594,423 2.34,424 1.347,425 1.5,427 2.902,428 1.32,429 2.492,430 1.35,431 3.549,432 2.242,433 1.247,434 1.491,436 2.879,437 1.24,438 2.446,439 1.195,440 3.368,441 2.07,442 1.1,443 1.445,445 2.388,446 1.065,447 2.161,448 1,449 3.247,450 1.984,451 1,452 1.15,454 2.136,455 0.983,456 1.922,457 0.914,458 3.092,459 1.793,460 0.814,461 0.88,463 1.805,464 0.795,465 1.654,466 0.629,467 2.881,468 1.507,469 0.532,470 0.581,472 1.148,473 0.518,474 15.6,475 0.488,476 0.342,477 0.011,478 36.5,479 1.141,480 17,481 0.531,482 19.5,483 0.609,484 32.612,485 1.019,486 35.4,487 0.506,488 21.617,489 0.676,490 6.118,491 0.191,492 9.798,493 0.306,496 0.192,501 1.018,502 1.315,503 1.009,504 1.15,505 0.804,506 1.092,507 1.091,508 1.302,509 1.109,510 1.203,511 0.872,512 1.165,513 1.065,514 1.024,515 0.912,516 0.931,517 0.872,518 0.914,519 1.139,520 0.969,521 1.023,522 0.974,523 0.995,524 0.987,525 1.109,526 0.976,527 1.069,528 1.017,529 1.022,530 1.037,531 0.882,532 1.008,533 1.089,534 1.095,535 0.959,536 1.104,537 0.732,538 0.954,539 0.997,540 1.032,541 0.858,542 1.033,543 0.763,544 0.892,545 0.936,546 0.952,547 0.833,548 0.955,549 2.5,550 0.066,551 2,552 1.25,553 1.191,554 0.417,555 0.279,556 0.142,557 0.106,558 0.083,559 19177,560 36229,561 2.158,562 54.3,563 18,564 10,566 2,567 2,568 2,569 4,572 1.733,573 2.133,574 3.875,575 0.084,582 87.023,583 1.243,584 2.967,585 3.966,586 4.743,587 5.101,588 5.301,589 3.229,590 4.226,591 4.972,592 4.171,593 2068.57,594 8.63,595 35141.2,600 429.05,601 0.696,602 4.979,603 0.071,604 0.003,605 0.045,606 0.028,607 0.03,608 0.011,609 0.009,610 0.005,611 0.004,612 0.004,613 0.211,614 0.33,615 0.88,617 176.65,618 0.022,619 -0.065,620 0.056,621 0.007,622 0.184,623 0.029,624 -0.032,625 -0.17,626 -0.078,627 -0.131,628 0.108,629 -0.112,630 0.026,631 -0.021,632 0.086,633 0.049,634 0.115,635 0.068,636 0.035,637 0.044,638 -0.019,639 -0.001,640 0.013,641 -0.012,642 -0.122,643 0.022,644 -0.081,645 -0.024,646 -0.13,647 -0.045,648 -0.094,649 -0.046,650 -0.122,651 -0.092,652 -0.143,653 -0.106,654 -0.022,655 -0.042,656 -0.047,657 -0.05,658 -0.075,659 -0.05,660 -0.004,661 0.008,662 0.013,663 0.014,664 -0.036,665 0.015,666 0.522,667 1.95,668 0.625,669 41.063,670 0.978,671 1.129,672 3.982,673 15.857,674 0.642,675 3.584,676 3.807,677 4.06,678 4.317,679 4.564,680 4.575,681 4.682,682 4.762,683 4.804,684 4.654,685 9.819,686 0.586,687 430.7,688 3.584,689 5.069,690 5.889,691 6.727,692 7.573,693 8.43,694 9.291,695 10.161,696 11.033,697 11.912,698 5.7,703 2,708 2,714 2,715 8,716 2,720 4,722 17,734 2,741 70,743 17,744 1,745 35,747 73,748 28,749 14,750 2,751 4,756 4,757 7,767 4,770 12,772 14,773 14,793 38,794 4,795 2,796 4,802 4,808 0.5,822 2,829 4,833 2,859 2,868 32,876 14,877 2,901 15,902 12.067,903 7.361,904 4.997,907 3.075,908 1.395,909 0.986,910 9.067,911 10.855,912 3.795,913 4.304,914 4.877,915 5.463,916 6.043,917 6.267,918 6.62,919 6.945,920 7.229,921 7.039,922 1,923 45,924 11.896,926 4.861,927 0.026,929 7.313,931 24.155,933 20.079,936 1.813,937 58,941 423.76,942 125.751,943 69.593,948 125.751,949 423.76,950 69.593,952 34.626,953 56.857,954 93.135,955 34.268,957 400.217,959 423.76,960 195.344,964 376.675,965 47.084,968 57.622,969 68.13,970 69.593,972 423.76,973 69.593,974 125.751,977 423.76,978 50.799,979 74.952,980 36.022,981 33.571,982 423.76,983 69.593,984 125.751,986 0.546,987 0.312,988 0.178,989 0.101,990 18,991 6,992 0.178,993 13,994 2,995 1.2,996 4.751,997 262.287,998 0.2,999 20,1000 149.245,1005 22.892,1006 12.675,1007 6.854,1008 2.443,1009 69.593,1010 16.361,1011 8.998,1015 5.348,1017 36.022,1018 619.103,1019 43.5,1031 68.428,1032 79.052,1034 0.203,1035 0.484,1036 0.647,1037 0.774,1038 0.832,1039 0.865,1040 4.978,1041 1.516,1042 5.79,1043 3.341,1044 4.489,1045 4.99,1046 0.495,1047 6.518,1048 4.444,1049 6.106,1050 1.378,1051 7.276,1052 3.329,1053 3.611,1054 4.559,1056 7.286,1057 3.544,1058 7.363,1059 1.347,1060 8.879,1061 3.163,1062 5.964,1063 7.144,1064 0.097,1065 10.477,1066 5.875,1067 8.669,1068 1.247,1069 10.565,1070 2.902,1071 6.089,1072 7.727,1074 12.254,1075 5.979,1076 10.024,1077 1.1,1078 12.309,1079 2.879,1080 7.76,1081 9.689,1082 0.016,1083 14.924,1084 7.631,1085 11.414,1086 1,1087 14.094,1088 2.388,1089 8.417,1090 10.755,1092 17.087,1093 8.267,1094 12.832,1095 0.814,1096 15.909,1097 2.136,1098 9.78,1099 12.456,1100 0.003,1101 19.595,1102 9.613,1103 3.226,1104 0.532,1105 17.745,1106 1.805,1107 10.708,1108 13.757,1110 21.913,1111 10.521,1112 2.532,1113 11.348,1114 19.596,1115 1.148,1116 11.942,1117 15.347,1119 24.368,1120 11.736,1121 2.522,1122 8.37,1123 21.46,1124 4.564,1125 13.001,1126 16.762,1128 26.749,1129 12.774,1130 2.182,1131 6.965,1132 23.333,1133 3.444,1134 14.186,1135 18.306,1137 29.186,1138 13.941,1139 1.93,1140 6.711,1141 25.214,1142 3.437,1143 15.304,1144 19.775,1146 31.594,1147 15.039,1148 1.754,1149 3.89,1150 27.102,1151 2.893,1152 16.474,1153 21.301,1155 34.025,1156 16.19,1157 1.565,1158 3.606,1159 28.994,1160 2.142,1161 17.619,1162 22.796,1164 36.444,1165 17.314,1166 17868,1167 24695,1168 24.614,1169 44.967,1170 49.622,1171 49.922,1172 50.351,1173 49.72,1174 49.709,1175 62.398,1176 1.6,1177 128.89,1178 48.576,1179 5.612,1180 5.361,1181 6.774,1182 5.247,1183 5.226,1184 7.564,1185 0.8,1186 18.879,1187 5.162,1189 1.418,1190 1.426,1191 1.439,1192 1.421,1193 1.42,1194 1.783,1195 0.046,1196 3.683,1197 1.388,1198 4.115,1199 4.146,1200 4.074,1201 4.042,1202 4.975,1203 4.046,1204 3.891,1205 3.944,1206 3.817,1207 3.766,1208 4.912,1209 3.771,1210 3.787,1211 3.849,1212 3.635,1213 3.671,1214 4.413,1215 3.655,1216 3.732,1217 3.781,1218 3.613,1219 3.648,1220 4.281,1221 3.634,1222 3.647,1223 3.719,1224 3.482,1225 3.509,1226 4.237,1227 3.491,1228 3.463,1229 3.545,1230 3.296,1231 3.292,1232 4.101,1233 3.281,1234 3.286,1235 3.362,1236 3.134,1237 3.148,1238 3.979,1239 3.136,1240 3.17,1241 3.248,1242 3.03,1243 2.987,1244 3.893,1245 2.984,1246 0.133,1247 0.096,1248 0.195,1249 0.12,1250 0.092,1251 4.64,1252 0.13,1253 3.361,1254 0.011,1255 6.829,1256 0.324,1257 4.207,1258 0.09,1259 3.226,1260 4.564,1261 0.4,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.44,1269 2.163,1270 1.846,1271 1.798,1272 2.063,1273 2.004,1274 1.422,1275 2.019,1276 1.797,1277 1.741,1278 1.972,1279 1.95,1280 1.288,1281 1.968,1282 1.754,1283 1.709,1284 1.949,1285 1.873,1286 1.15,1287 1.902,1288 1.664,1289 1.598,1290 1.903,1291 1.839,1292 1.077,1293 1.867,1294 1.466,1295 1.39,1296 1.747,1297 1.677,1298 0.941,1299 1.705,1300 1.287,1301 1.223,1302 1.552,1303 1.494,1304 0.799,1305 1.519,1306 1.162,1307 1.083,1308 1.456,1309 1.365,1310 0.751,1311 1.39,1312 4.263,1314 5.509,1316 6.967,1318 8.539,1320 10.183,1328 17.584,1329 7.266,1340 41.041,1341 87.023,1342 207.715,1343 277.592,1344 332.03,1345 357.05,1346 371.05,1347 47.007,1348 7.78,1349 49.84,1350 49.84,1351 24,1352 12.452,1353 4.17,1354 3.248,1355 52.7,1356 192,1357 188,1358 0.127,1359 253.54,1360 433.7,1361 610.399,1362 34109,1364 21.849,1365 0.683,1366 0.607,1367 21.849,1368 19.413,1369 15.916,1370 0.455,1371 0.363,1372 12.627,1373 15.636,1374 12.389,1375 10.342,1376 15.916,1377 12.699,1378 12.933,1379 0.294,1380 0.206,1381 12.933,1382 9.054,1383 10.766,1384 0.189,1385 0.116,1386 10.766,1387 6.584,1388 9.023,1389 0.122,1390 0.065,1391 9.023,1392 4.801,1393 7.547,1394 0.079,1395 0.037,1396 7.547,1397 3.528,1398 0.216,1399 97.311,1400 0.202,1401 31.513,1402 0.311,1403 158,1404 317.956,1405 164.883,1406 320.881,1407 457.62,1408 306,1409 180,1410 347.31,1411 187.327,1412 355.468,1413 517.81,1414 339,1415 6.754}
{0 CHEMBL1084542,1 1.297,2 10.05,3 3.584,4 12.844,5 84.514,6 6.522,7 0.545,8 3.785,9 3.927,10 3.256,11 3.34,12 4.735,13 3.287,14 4.34,15 4.548,16 3.534,17 3.725,18 5.209,19 3.633,20 4.614,21 4.877,22 3.506,23 3.837,24 5.367,25 3.692,26 4.601,27 4.896,28 3.3,29 3.707,30 5.334,31 3.532,32 4.439,33 4.742,34 3.209,35 3.543,36 5.177,37 3.385,38 4.226,39 4.506,40 3.097,41 3.397,42 5.021,43 3.263,44 4.069,45 4.324,46 2.933,47 3.306,48 4.861,49 3.157,50 4.035,51 4.315,52 2.731,53 3.205,54 4.726,55 3.02,56 0.049,57 0.607,58 9.606,59 3.756,60 6.94,61 5.514,62 0.184,63 0.992,64 17.346,65 6.2,66 14.951,67 9.249,68 0.162,69 1.185,70 22.894,71 8.269,72 17.713,73 12.505,74 0.212,75 1.117,76 22.877,77 7.844,78 21.863,79 12.022,80 0.151,81 0.942,82 19.4,83 6.627,84 18.598,85 10.231,86 0.141,87 0.795,88 15.692,89 5.082,90 16.054,91 7.94,92 0.103,93 0.687,94 13.209,95 4.693,96 12.76,97 7.113,98 0.085,99 0.627,100 12.701,101 4.797,102 11.147,103 7.167,105 28,106 0.231,107 0.54,108 0.699,109 0.791,110 0.815,111 0.815,112 3.056,113 1.008,114 -4.75,115 -4.66,116 -4.38,121 41.5,123 3,127 2,128 1,144 7,145 2,147 1,149 1,176 11,180 4,183 2,185 1,187 11,192 3,197 1,200 8,205 1,206 3,211 3,214 5,219 3,224 2,227 3,232 4,237 2,239 3,244 2,249 2,251 3,256 2,261 1,264 3,269 2,277 3,281 476,282 14.052,283 14.052,284 14.052,285 14.052,286 14.052,287 12.64,288 12.173,289 8.757,290 14.287,291 10.904,292 10.904,293 10.904,294 10.904,295 10.904,296 8.877,297 17.115,298 4.215,299 11.287,300 4.06,301 2.327,302 1.431,303 0.915,304 0.78,305 0.78,306 3.747,310 1,311 1,312 1,313 438,314 2,318 205.958,325 1.75,326 6.82,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 41.5,338 201,339 4.244,340 2.923,341 6.143,342 3.861,343 2.871,344 3.889,345 0.886,346 9.055,347 2.848,348 3.81,349 2.837,350 5.415,351 3.492,352 2.565,353 3.303,354 0.4,355 7.169,356 2.378,357 3.499,358 2.503,359 5.242,360 3.308,361 2.363,362 2.612,364 6.685,365 2.231,366 3.255,367 1.849,368 4.444,369 2.808,370 1.819,371 2.473,373 4.51,374 1.797,375 2.655,376 1.568,377 3.641,378 2.474,379 1.497,380 1.721,382 3.15,383 1.459,384 2.5,385 1.215,386 3.503,387 2.166,388 1.177,389 1.5,391 2.715,392 1.164,393 2.5,394 1.077,395 3.414,396 2,397 1,398 1.5,400 2.275,401 1,402 2.496,403 1,404 3.247,405 1.984,406 1,407 1.496,409 2.136,410 0.983,411 2,412 1,413 3.247,414 1.959,415 1,416 1,418 2.136,419 0.956,420 1.752,421 0.868,422 3.098,423 1.564,424 0.635,425 0.692,427 1.488,428 0.589,429 1.037,430 -0.098,431 2.452,432 0.717,433 -0.238,434 -0.282,436 -0.561,437 -0.227,438 0.629,439 -0.56,440 2.121,441 0.331,442 -0.645,443 -0.731,445 -1.439,446 -0.627,447 0.5,448 -0.784,449 2,450 0.068,451 -0.911,452 -1,454 -1.969,455 -0.891,456 0.5,457 -0.854,458 1.555,460 -1,461 -1.164,463 -2.347,464 -0.946,465 0.348,466 -1,467 1.555,468 -0.025,469 -1,470 -1.5,472 -2.347,473 -0.973,474 9.7,475 0.485,476 0.256,477 0.013,478 25.25,479 1.263,480 12.5,481 0.625,482 12.75,483 0.638,484 14.103,485 0.705,486 21.5,487 0.524,488 14.721,489 0.736,490 4.845,491 0.242,492 5.071,493 0.254,496 0.196,501 1.019,502 1.383,503 0.923,504 1.124,505 0.834,506 1.035,507 1.308,508 1.022,509 1.105,510 1.014,511 0.904,512 1.038,513 1.107,514 1.107,515 1.024,516 1.044,517 0.836,518 1.03,519 1.19,520 0.938,521 1.018,522 0.937,523 1.079,524 0.958,525 1.093,526 0.945,527 0.845,528 0.832,529 1.032,530 0.82,531 1.532,532 0.951,533 1.015,534 0.856,535 1.506,536 0.886,537 1.337,538 1.1,539 1.18,540 1.102,541 1.579,542 1.123,543 0.928,544 1.045,545 1.066,546 1.09,547 1.099,548 1.09,549 2.5,550 0.008,551 1.556,552 0.375,553 0.444,554 0.431,555 0.16,556 0.095,557 0.114,558 0.056,559 4508,560 8462,561 2.169,562 51.2,563 2,564 11,565 2,566 1,567 1,569 4,572 1.609,573 2.143,574 3.322,575 -0.37,577 1,579 1,582 53.179,583 1.297,584 3.03,585 3.927,586 4.443,587 4.577,588 4.577,589 2.746,590 3.584,591 4.293,592 3.457,593 656.916,594 7.289,595 6982.82,596 1,597 1,599 1,600 219.66,601 0.722,602 4.3,603 0.114,604 0.001,605 0.056,606 0.014,607 0.022,608 0.023,609 0.009,610 0.007,611 0.01,612 0.006,613 0.262,614 0.67,615 1,617 90.842,618 0.041,619 -0.18,620 0.067,621 -0.047,622 0.122,623 0.002,624 0.032,625 0.121,626 -0.097,627 -0.023,628 0.084,629 -0.062,630 -0.056,631 -0.104,632 -0.043,633 -0.069,634 0.095,635 -0.057,636 -0.014,637 0.025,638 -0.027,639 -0.005,640 0.021,641 -0.015,642 0.026,643 -0.004,644 0.145,645 0.102,646 0.098,647 0.128,648 -0.163,649 0.066,650 -0.006,651 0.068,652 -0.152,653 0.048,654 -0.197,655 -0.072,656 -0.193,657 -0.133,658 -0.342,659 -0.158,660 -0.066,661 -0.101,662 -0.103,663 -0.111,664 -0.177,665 -0.11,666 0.713,667 1.502,668 0.9,669 17.4,670 0.982,671 1.128,672 3.521,673 12.394,674 0.655,675 3.135,676 3.367,677 3.584,678 3.761,679 3.97,680 3.85,681 3.932,682 3.97,683 4.043,684 4.043,685 5.933,686 0.605,687 267.41,688 3.135,689 4.615,690 5.425,691 6.248,692 7.071,693 7.899,694 8.727,695 9.558,696 10.388,697 11.22,698 7.3,701 1,703 1,708 1,715 8,716 1,720 3,722 12,734 1,741 41,743 12,744 1,745 22,747 43,748 17,749 11,750 1,751 5,756 3,757 3,767 3,770 3,772 11,773 6,789 1,790 1,793 21,794 3,795 1,796 3,802 3,808 1,822 1,829 3,855 1,859 3,868 20,876 6,877 1,881 1,901 9.333,902 7.067,903 4.528,904 2.639,907 2.179,908 1.334,909 0.994,910 4.415,911 8.707,912 3.367,913 3.85,914 4.357,915 4.856,916 5.39,917 5.451,918 5.841,919 6.109,920 6.373,921 6.569,922 0.857,923 26,924 7.397,926 3.022,927 0.026,929 7.375,931 14.797,933 12.099,936 1.875,937 37.5,938 0.002,941 235.422,942 97.572,943 37.921,948 97.572,949 235.422,950 37.921,952 13.492,953 66.334,954 46.567,955 18.543,956 25.87,957 200.109,959 235.422,960 135.493,964 188.338,965 47.084,968 25.664,969 75.033,970 34.796,972 235.422,973 37.921,974 97.572,977 235.422,978 22.191,979 78.505,980 18.011,981 16.786,982 235.422,983 37.921,984 97.572,986 0.557,987 0.316,988 0.168,989 0.092,990 13,991 4,992 0.093,993 4,995 1,996 3.492,997 140.248,999 18,1000 78.439,1005 13.29,1006 6.644,1007 3.665,1009 37.921,1010 16.484,1011 4.502,1015 3.326,1017 18.011,1018 370.915,1019 28,1031 40.258,1032 46.232,1034 0.242,1035 0.566,1036 0.733,1037 0.829,1038 0.854,1039 0.854,1040 4.543,1041 1,1042 5.333,1043 2.275,1044 4.043,1045 4.533,1046 0.956,1047 6.014,1048 3.977,1049 5.665,1050 1,1051 6.799,1052 2.136,1053 3.219,1054 3.861,1055 0.325,1056 6.629,1057 3.102,1058 6.901,1059 0.635,1060 8.365,1061 2.136,1062 5.501,1063 6.559,1064 0.626,1065 9.691,1066 5.368,1067 8.173,1068 -0.238,1069 9.995,1070 1.488,1071 5.565,1072 6.776,1073 0.343,1074 11.212,1075 5.39,1076 9.481,1077 -0.645,1078 11.668,1079 -0.561,1080 7.219,1081 8.881,1082 0.458,1083 13.712,1084 7.032,1085 10.814,1086 -0.911,1087 13.371,1088 -1.439,1089 7.727,1090 9.552,1091 0.313,1092 15.604,1093 7.518,1094 12.166,1095 -1,1096 15.095,1097 -1.969,1098 9.073,1099 11.351,1100 0.351,1101 17.906,1102 8.851,1103 2.871,1104 -1,1105 16.835,1106 -2.347,1107 9.821,1108 12.285,1109 0.269,1110 19.963,1111 9.592,1112 2.565,1113 9.055,1114 18.587,1115 -2.347,1116 11.01,1117 13.908,1118 0.274,1119 22.194,1120 10.77,1121 2.363,1122 7.169,1123 20.348,1124 3.889,1125 11.89,1126 15.001,1127 0.224,1128 24.326,1129 11.651,1130 1.819,1131 6.685,1132 22.116,1133 3.303,1134 13,1135 16.518,1136 0.216,1137 26.533,1138 12.753,1139 1.497,1140 4.51,1141 23.89,1142 2.612,1143 13.953,1144 17.711,1145 0.183,1146 28.701,1147 13.71,1148 1.177,1149 3.15,1150 25.67,1151 2.473,1152 15.025,1153 19.163,1154 0.171,1155 30.901,1156 14.777,1157 1,1158 2.715,1159 27.454,1160 1.721,1161 16.019,1162 20.419,1163 0.148,1164 33.086,1165 15.775,1166 4271,1167 5956,1168 15.485,1169 26.87,1170 31.969,1171 31.862,1172 31.878,1173 31.869,1174 31.851,1175 40.375,1176 2.571,1177 82.635,1178 30.808,1179 5.244,1180 4.923,1181 5.945,1182 4.909,1183 4.871,1184 6.889,1185 1.556,1186 15.119,1187 4.848,1189 1.453,1190 1.448,1191 1.449,1192 1.449,1193 1.448,1194 1.835,1195 0.117,1196 3.756,1197 1.4,1198 3.995,1199 4.032,1200 3.939,1201 3.925,1202 4.931,1203 3.924,1204 3.847,1205 3.912,1206 3.725,1207 3.692,1208 4.689,1209 3.69,1210 3.724,1211 3.771,1212 3.639,1213 3.617,1214 4.342,1215 3.616,1216 3.317,1217 3.406,1218 3.165,1219 3.1,1220 3.994,1221 3.107,1222 3.111,1223 3.206,1224 2.866,1225 2.941,1226 3.82,1227 2.91,1228 2.956,1229 3.03,1230 2.831,1231 2.823,1232 3.674,1233 2.816,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 3.628,1239 2.715,1240 2.777,1241 2.867,1242 2.623,1243 2.56,1244 3.474,1245 2.564,1246 0.193,1247 0.133,1248 0.279,1249 0.176,1250 0.13,1251 4.244,1252 0.177,1253 2.923,1254 0.04,1255 6.143,1256 0.412,1257 3.861,1258 0.129,1259 2.871,1260 3.889,1261 0.886,1262 9.055,1263 2.848,1264 1.965,1265 1.939,1266 2.069,1267 2.062,1268 1.405,1269 2.065,1270 1.826,1271 1.76,1272 2.048,1273 2.007,1274 1.15,1275 2.024,1276 1.708,1277 1.666,1278 1.843,1279 1.845,1280 0.904,1281 1.85,1282 1.285,1283 1.198,1284 1.556,1285 1.538,1286 0.825,1287 1.554,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.775,1293 1.429,1294 0.952,1295 0.893,1296 1.229,1297 1.166,1298 0.443,1299 1.192,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.242,1305 1.107,1306 0.775,1307 0.674,1308 1.123,1309 1.014,1310 0.218,1311 1.054,1312 3.807,1314 5.056,1316 6.515,1318 8.055,1320 9.632,1328 7.326,1329 3.408,1333 2.455,1340 24.805,1341 53.179,1342 124.234,1343 160.989,1344 182.15,1345 187.66,1346 187.66,1347 20.829,1348 6.528,1349 28.16,1350 28.16,1351 18,1352 11.792,1353 3.7,1354 2.807,1355 30.261,1356 72,1357 60,1358 0.207,1359 154.479,1360 260.94,1361 368.688,1362 5637,1364 13.623,1365 0.681,1366 0.588,1367 13.623,1368 11.756,1369 9.916,1370 0.451,1371 0.336,1372 7.326,1373 9.679,1374 7.175,1375 5.981,1376 9.916,1377 7.394,1378 8.26,1379 0.295,1380 0.19,1381 8.26,1382 5.312,1383 6.916,1384 0.198,1385 0.109,1386 6.916,1387 3.803,1388 5.501,1389 0.131,1390 0.062,1391 5.501,1392 2.61,1393 4.511,1394 0.087,1395 0.035,1396 4.511,1397 1.826,1398 0.332,1399 61.016,1400 0.254,1401 20.52,1402 0.544,1403 100,1404 219.623,1405 105.634,1406 220.97,1407 311.17,1408 210,1409 113,1410 232.268,1411 119.162,1412 239.415,1413 345.58,1414 226,1415 4.886}
{0 CHEMBL1084543,1 1.361,2 10.05,3 2.938,4 8.629,5 82.968,6 6.71,7 0.545,8 3.771,9 3.914,10 3.266,11 3.299,12 4.75,13 3.259,14 4.324,15 4.537,16 3.545,17 3.682,18 5.234,19 3.601,20 4.58,21 4.841,22 3.513,23 3.787,24 5.358,25 3.653,26 4.573,27 4.873,28 3.311,29 3.638,30 5.347,31 3.481,32 4.382,33 4.684,34 3.226,35 3.446,36 5.177,37 3.314,38 4.164,39 4.452,40 3.107,41 3.261,42 5.034,43 3.17,44 3.938,45 4.177,46 2.93,47 3.185,48 4.826,49 3.079,50 3.941,51 4.205,52 2.725,53 3.147,54 4.685,55 2.983,56 0.042,57 0.619,58 9.214,59 3.456,60 6.662,61 5.152,62 0.24,63 0.986,64 16.965,65 5.807,66 17.031,67 8.688,68 0.155,69 1.141,70 22.135,71 7.643,72 17.047,73 11.776,74 0.267,75 1.065,76 22.66,77 6.956,78 24.534,79 11.039,80 0.163,81 0.884,82 18.642,83 5.55,84 19.627,85 9.028,86 0.188,87 0.747,88 15.123,89 3.68,90 18.698,91 6.378,92 0.127,93 0.626,94 11.645,95 3.41,96 13.635,97 5.478,98 0.09,99 0.579,100 11.582,101 4.141,102 11.246,103 6.281,105 28,106 0.244,107 0.563,108 0.712,109 0.77,110 0.783,111 0.783,112 3.056,113 0.989,114 -4.11,115 -4.05,116 -3.83,121 40,123 3,127 2,128 1,144 5,145 2,147 2,152 1,176 9,179 1,180 4,183 3,187 9,192 3,200 5,205 2,206 4,211 3,214 1,219 4,224 2,232 7,237 2,244 3,249 2,256 2,261 1,264 2,269 2,277 3,281 476,282 14.052,283 14.052,284 14.052,285 14.052,286 14.052,287 12.64,288 12.173,289 8.757,290 14.349,291 10.904,292 10.904,293 10.904,294 10.904,295 10.904,296 8.877,297 17.115,298 4.215,299 11.39,300 3.961,301 2.176,302 1.347,303 1.019,304 0.95,305 0.95,306 3.747,310 1,311 1,312 1,313 438,314 2,318 205.958,325 1.75,326 8.389,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 42,338 201,339 4.244,340 2.923,341 6.143,342 3.855,343 2.871,344 3.889,345 0.886,346 9.055,347 2.834,348 3.81,349 2.837,350 5.415,351 3.485,352 2.565,353 3.303,354 0.4,355 7.169,356 2.358,357 3.499,358 2.503,359 5.242,360 3.288,361 2.363,362 2.612,364 6.685,365 2.184,366 3.255,367 1.849,368 4.444,369 2.805,370 1.819,371 2.473,373 4.51,374 1.79,375 2.655,376 1.568,377 3.641,378 2.472,379 1.497,380 1.721,382 3.15,383 1.456,384 2.5,385 1.215,386 3.503,387 2.162,388 1.177,389 1.5,391 2.715,392 1.159,393 2.5,394 1.077,395 3.414,396 2,397 1,398 1.5,400 2.275,401 1,402 2.496,403 1,404 3.247,405 1.984,406 1,407 1.496,409 2.136,410 0.983,411 2,412 1,413 3.247,414 1.917,415 1,416 1,418 2.136,419 0.916,420 1.752,421 0.868,422 3.098,423 1.556,424 0.635,425 0.692,427 1.488,428 0.584,429 1.037,430 -0.098,431 2.452,432 0.701,433 -0.238,434 -0.282,436 -0.561,437 -0.223,438 0.629,439 -0.56,440 2.121,441 0.327,442 -0.645,443 -0.731,445 -1.439,446 -0.624,447 0.5,448 -0.784,449 2,450 0.058,451 -0.911,452 -1,454 -1.969,455 -0.884,456 0.5,457 -0.854,458 1.555,460 -1,461 -1.164,463 -2.347,464 -0.946,465 0.348,466 -1,467 1.555,468 -0.049,469 -1,470 -1.5,472 -2.347,473 -0.946,474 9.6,475 0.48,476 0.256,477 0.013,478 25.75,479 1.288,480 12.5,481 0.625,482 13.25,483 0.663,484 13.819,485 0.691,486 21.6,487 0.54,488 15.006,489 0.75,490 4.921,491 0.246,492 4.995,493 0.25,496 0.198,501 0.974,502 1.491,503 0.886,504 1.172,505 0.767,506 1.045,507 1.098,508 0.907,509 1.071,510 0.978,511 0.814,512 1.015,513 0.952,514 1.18,515 0.984,516 1.096,517 0.734,518 1.052,519 1.175,520 0.885,521 1.005,522 0.889,523 1.091,524 0.922,525 1.144,526 1.068,527 0.834,528 0.856,529 1.089,530 0.82,531 1.971,532 0.924,533 1.046,534 0.688,535 1.869,536 0.757,537 1.832,538 1.08,539 1.328,540 1.039,541 2.022,542 1.115,543 1.027,544 1.042,545 1.158,546 1.139,547 1.185,548 1.158,549 2.5,550 0.008,551 1.556,552 0.375,553 0.444,554 0.431,555 0.16,556 0.095,557 0.114,558 0.056,559 4508,560 8882,561 2.169,562 50,563 2,564 9,565 2,566 2,567 1,569 4,572 1.609,573 2.143,574 3.322,575 -0.32,577 1,579 1,582 54.439,583 1.361,584 3.146,585 3.975,586 4.303,587 4.372,588 4.372,589 2.746,590 3.584,591 4.293,592 3.457,593 656.916,594 7.289,595 6982.82,596 1,597 1,598 1,599 1,600 212.877,601 0.722,602 4.3,603 0.114,604 0.001,605 0.056,606 0.014,607 0.022,608 0.023,609 0.009,610 0.007,611 0.01,612 0.006,613 0.262,614 0.67,615 1,617 90.842,618 0.021,619 -0.262,620 0.071,621 -0.086,622 0.137,623 -0.016,624 0.161,625 0.243,626 -0.081,627 0.01,628 0.163,629 -0.05,630 -0.016,631 -0.193,632 -0.015,633 -0.107,634 0.13,635 -0.068,636 0.017,637 0.063,638 -0.004,639 0.025,640 0.036,641 0.011,642 0.023,643 -0.136,644 0.17,645 0.059,646 0.107,647 0.118,648 -0.307,649 0.118,650 0.002,651 0.16,652 -0.254,653 0.121,654 -0.414,655 0.031,656 -0.321,657 -0.109,658 -0.559,659 -0.19,660 -0.156,661 -0.067,662 -0.199,663 -0.144,664 -0.275,665 -0.171,666 0.963,667 1.391,668 0.9,669 17.4,670 0.987,671 1.133,672 2.875,673 8.268,674 0.653,675 3.135,676 3.367,677 3.584,678 3.761,679 3.97,680 3.85,681 3.932,682 3.97,683 4.043,684 4.043,685 5.933,686 0.608,687 268.4,688 3.135,689 4.615,690 5.425,691 6.248,692 7.071,693 7.899,694 8.727,695 9.558,696 10.388,697 11.22,698 10,701 1,703 1,708 2,715 7,716 2,720 3,722 12,734 1,741 40,743 12,744 1,745 22,747 42,748 16,749 10,750 1,751 5,756 3,757 3,767 3,770 3,772 10,773 6,789 1,790 1,793 20,794 4,795 1,796 4,802 4,808 1,823 1,829 3,855 1,859 3,868 20,876 6,877 1,881 1,901 9.333,902 6.933,903 4.528,904 2.561,907 2.179,908 1.334,909 0.99,910 4.365,911 8.707,912 3.367,913 3.85,914 4.357,915 4.856,916 5.39,917 5.451,918 5.841,919 6.109,920 6.373,921 6.569,922 0.857,923 26,924 7.386,926 3.017,927 0.026,929 7.425,931 14.667,933 11.907,936 1.925,937 38.5,938 0.002,941 223.651,942 87.238,943 54.706,948 87.238,949 223.651,950 54.706,952 13.492,953 47.381,954 75.124,955 27.59,956 25.441,957 176.567,959 223.651,960 141.944,964 176.567,965 47.084,968 36.61,969 53.752,970 51.582,972 223.651,973 54.706,974 87.238,977 223.651,978 21.762,979 68.6,980 18.011,981 33.571,982 223.651,983 54.706,984 87.238,986 0.557,987 0.316,988 0.168,989 0.092,990 13,991 4,992 0.095,993 4,995 1,996 3.492,997 140.248,999 18,1000 74.439,1005 13.228,1006 6.599,1007 3.635,1009 54.706,1010 13.954,1011 8.781,1015 2.902,1017 18.011,1018 365.595,1019 28,1031 39.476,1032 45.315,1034 0.256,1035 0.591,1036 0.747,1037 0.809,1038 0.821,1039 0.821,1040 4.543,1041 1,1042 5.333,1043 2.275,1044 4.043,1045 4.533,1046 0.956,1047 6.014,1048 3.959,1049 5.665,1050 1,1051 6.799,1052 2.136,1053 3.219,1054 3.861,1055 0.325,1056 6.629,1057 3.08,1058 6.901,1059 0.635,1060 8.365,1061 2.136,1062 5.501,1063 6.559,1064 0.626,1065 9.691,1066 5.333,1067 8.173,1068 -0.238,1069 9.995,1070 1.488,1071 5.565,1072 6.776,1073 0.343,1074 11.212,1075 5.353,1076 9.481,1077 -0.645,1078 11.668,1079 -0.561,1080 7.219,1081 8.881,1082 0.458,1083 13.712,1084 6.984,1085 10.814,1086 -0.911,1087 13.371,1088 -1.439,1089 7.727,1090 9.552,1091 0.313,1092 15.604,1093 7.47,1094 12.166,1095 -1,1096 15.095,1097 -1.969,1098 9.073,1099 11.351,1100 0.351,1101 17.906,1102 8.794,1103 2.871,1104 -1,1105 16.835,1106 -2.347,1107 9.821,1108 12.285,1109 0.269,1110 19.963,1111 9.535,1112 2.565,1113 9.055,1114 18.587,1115 -2.347,1116 11.01,1117 13.908,1118 0.274,1119 22.194,1120 10.705,1121 2.363,1122 7.169,1123 20.348,1124 3.889,1125 11.89,1126 15.001,1127 0.224,1128 24.326,1129 11.587,1130 1.819,1131 6.685,1132 22.116,1133 3.303,1134 13,1135 16.518,1136 0.216,1137 26.533,1138 12.683,1139 1.497,1140 4.51,1141 23.89,1142 2.612,1143 13.953,1144 17.711,1145 0.183,1146 28.701,1147 13.638,1148 1.177,1149 3.15,1150 25.67,1151 2.473,1152 15.025,1153 19.163,1154 0.171,1155 30.901,1156 14.7,1157 1,1158 2.715,1159 27.454,1160 1.721,1161 16.019,1162 20.419,1163 0.148,1164 33.086,1165 15.695,1166 4271,1167 6118,1168 15.485,1169 26.114,1170 31.969,1171 31.862,1172 31.878,1173 31.868,1174 31.851,1175 40.375,1176 2.571,1177 82.635,1178 30.526,1179 5.244,1180 4.923,1181 5.945,1182 4.924,1183 4.871,1184 6.889,1185 1.556,1186 15.119,1187 4.834,1189 1.453,1190 1.448,1191 1.449,1192 1.449,1193 1.448,1194 1.835,1195 0.117,1196 3.756,1197 1.388,1198 3.982,1199 4.023,1200 3.93,1201 3.903,1202 5.02,1203 3.903,1204 3.847,1205 3.912,1206 3.723,1207 3.688,1208 4.709,1209 3.685,1210 3.699,1211 3.756,1212 3.626,1213 3.542,1214 4.345,1215 3.559,1216 3.317,1217 3.405,1218 3.165,1219 3.099,1220 3.994,1221 3.107,1222 3.111,1223 3.206,1224 2.866,1225 2.941,1226 3.962,1227 2.91,1228 2.939,1229 3.021,1230 2.818,1231 2.76,1232 3.674,1233 2.767,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 3.666,1239 2.715,1240 2.721,1241 2.814,1242 2.56,1243 2.516,1244 3.474,1245 2.502,1246 0.193,1247 0.133,1248 0.279,1249 0.175,1250 0.13,1251 4.244,1252 0.177,1253 2.923,1254 0.04,1255 6.143,1256 0.412,1257 3.855,1258 0.129,1259 2.871,1260 3.889,1261 0.886,1262 9.055,1263 2.834,1264 1.946,1265 1.919,1266 2.057,1267 2.056,1268 1.405,1269 2.055,1270 1.825,1271 1.758,1272 2.044,1273 2.006,1274 1.125,1275 2.022,1276 1.646,1277 1.594,1278 1.765,1279 1.831,1280 0.847,1281 1.821,1282 1.285,1283 1.198,1284 1.552,1285 1.536,1286 0.825,1287 1.55,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.704,1293 1.429,1294 0.911,1295 0.837,1296 1.222,1297 1.162,1298 0.442,1299 1.187,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.734,1307 0.639,1308 1.041,1309 0.958,1310 0.112,1311 0.992,1312 3.807,1314 5.056,1316 6.515,1318 8.055,1320 9.632,1328 7.151,1329 3.297,1333 2.415,1340 24.3,1341 54.439,1342 125.842,1343 159.003,1344 172.122,1345 174.877,1346 174.877,1347 20.735,1348 6.528,1349 41.05,1350 41.05,1351 18,1352 11.792,1353 3.7,1354 2.807,1355 30.261,1356 72,1357 60,1358 0.207,1359 151.681,1360 254.64,1361 361.86,1362 5637,1364 13.623,1365 0.681,1366 0.581,1367 13.623,1368 11.626,1369 9.916,1370 0.451,1371 0.33,1372 7.17,1373 9.615,1374 7.033,1375 5.862,1376 9.916,1377 7.254,1378 8.26,1379 0.295,1380 0.185,1381 8.26,1382 5.175,1383 6.916,1384 0.198,1385 0.105,1386 6.916,1387 3.668,1388 5.501,1389 0.131,1390 0.06,1391 5.501,1392 2.499,1393 4.511,1394 0.087,1395 0.033,1396 4.511,1397 1.728,1398 0.332,1399 61.47,1400 0.254,1401 20.52,1402 0.544,1403 100,1404 239.268,1405 107.466,1406 238.282,1407 333.61,1408 226,1409 113,1410 248.732,1411 120.993,1412 255.081,1413 368.72,1414 240,1415 4}
{0 CHEMBL1084544,1 1.463,2 19.308,3 6.94,4 48.161,5 159.748,6 7.015,7 0.488,8 4.427,9 4.557,10 3.944,11 3.989,12 5.389,13 3.939,14 5.01,15 5.195,16 4.281,17 4.404,18 5.922,19 4.316,20 5.305,21 5.551,22 4.328,23 4.528,24 6.146,25 4.406,26 5.295,27 5.542,28 4.272,29 4.49,30 6.179,31 4.358,32 5.292,33 5.554,34 4.156,35 4.459,36 6.064,37 4.305,38 5.285,39 5.548,40 4.121,41 4.432,42 6.065,43 4.264,44 5.269,45 5.543,46 4.028,47 4.383,48 6.031,49 4.195,50 5.177,51 5.455,52 3.922,53 4.283,54 5.942,55 4.091,56 0.068,57 1.103,58 17.577,59 7.53,60 8.054,61 10.413,62 0.265,63 1.817,64 33.791,65 13.183,66 26.363,67 18.455,68 0.422,69 2.251,70 49.407,71 17.089,72 46.171,73 24.406,74 0.638,75 2.245,76 48.532,77 16.289,78 63.15,79 23.681,80 0.453,81 2.171,82 47.529,83 16.909,84 42.051,85 24.339,86 0.455,87 2.081,88 48.501,89 17.261,90 47.595,91 24.462,92 0.483,93 1.985,94 50.686,95 17.304,96 49.63,97 24.299,98 0.41,99 1.783,100 48.582,101 16.004,102 44.946,103 22.502,104 5,105 57,106 0.223,107 0.536,108 0.728,109 0.85,110 0.886,111 0.897,112 3.692,113 1.033,114 -4.86,115 -4.77,116 -4.48,121 41,123 10,127 4,144 7,145 4,146 2,148 2,153 1,154 1,160 1,176 15,180 7,183 1,185 8,187 18,192 4,197 7,200 12,205 1,206 5,209 2,211 7,214 14,219 2,222 1,224 3,227 13,232 6,237 2,239 16,244 5,248 1,249 2,251 14,256 3,261 1,264 12,269 3,272 2,273 1,274 4,277 9,281 3343,282 27.087,283 27.087,284 27.087,285 27.087,286 27.087,287 24.463,288 24.835,289 16.722,290 27.578,291 21.317,292 21.317,293 21.317,294 21.317,295 21.317,296 17.208,297 22.661,298 8.038,299 22.108,300 4.822,301 2.776,302 1.521,303 0.718,304 0.487,305 0.41,306 4.404,308 1,312 1,313 1668,314 4.528,317 108.352,318 451.256,321 199.924,322 365.685,325 2.97,326 28.679,329 0.75,330 0.67,331 0.67,332 0.9,333 0.5,334 0.67,335 0.5,336 0.66,337 82.333,338 753,339 4.651,340 3.577,341 6.833,342 4.214,343 3.235,344 4.582,345 1.907,346 11.364,347 3.165,348 4.523,349 3.373,350 6.526,351 4.047,352 3.061,353 4.473,354 0.86,355 10.264,356 3.019,357 3.99,358 3.14,359 6.004,360 3.58,361 2.61,362 3.534,363 0.4,364 8.477,365 2.532,366 3.659,367 2.943,368 5.427,369 3.385,370 2.383,371 2.961,372 0.149,373 6.886,374 2.376,375 3.584,376 2.562,377 5.131,378 3.192,379 2.252,380 2.829,382 6.094,383 2.103,384 3.42,385 2.404,386 5.035,387 3.045,388 2.063,389 2.768,391 6.006,392 2.025,393 3.365,394 2.272,395 4.899,396 2.89,397 1.985,398 2.699,400 5.573,401 1.828,402 3.046,403 2.094,404 4.197,405 2.825,406 1.838,407 2.318,409 3.807,410 1.703,411 2.87,412 1.92,413 4.121,414 2.527,415 1.611,416 1.88,418 3.767,419 1.502,420 2.734,421 1.718,422 3.977,423 2.515,424 1.546,425 1.787,427 3.415,428 1.474,429 2.672,430 1.546,431 3.815,432 2.444,433 1.475,434 1.718,436 3.337,437 1.417,438 2.582,439 1.473,440 3.702,441 2.391,442 1.408,443 1.597,445 3.193,446 1.369,447 2.495,448 1.433,449 3.601,450 2.249,451 1.256,452 1.494,454 2.962,455 1.246,456 2.459,457 1.31,458 3.568,459 2.167,460 1.187,461 1.452,463 2.749,464 1.157,465 2.149,466 1.272,467 3.418,468 2.011,469 1.047,470 1.105,472 2.383,473 1.002,474 18.981,475 0.487,476 0.657,477 0.017,478 44.5,479 1.141,480 20,481 0.513,482 24.5,483 0.628,484 41.24,485 1.057,486 42.819,487 0.549,488 31.253,489 0.801,490 8.081,491 0.207,492 11.106,493 0.285,494 0.055,496 0.263,501 0.789,502 1.266,503 0.765,504 1.052,505 0.587,506 0.996,507 0.939,508 1.22,509 0.866,510 1.064,511 0.646,512 1.056,513 1.087,514 1.04,515 0.91,516 0.928,517 1.004,518 0.925,519 0.95,520 1.041,521 0.943,522 0.999,523 1.023,524 1.031,525 0.949,526 0.985,527 0.87,528 0.971,529 0.866,530 1.01,531 1.041,532 1.001,533 0.911,534 1.011,535 1.097,536 1.04,537 1.13,538 0.916,539 1.092,540 1,541 1.186,542 1.027,543 1.091,544 0.95,545 1.224,546 1.049,547 1.12,548 1.02,549 5,550 0.119,551 3.556,552 2.292,553 1.653,554 0.747,555 0.538,556 0.324,557 0.25,558 0.192,559 34584,560 78738,561 2.142,562 50,563 10,564 15,565 1,567 3,568 4,569 6,572 1.782,573 2.071,574 4.104,575 0.697,582 114.131,583 1.463,584 3.509,585 4.764,586 5.567,587 5.798,588 5.875,589 3.464,590 5.08,591 5.263,592 4.408,593 3266.16,594 9.205,595 65827.2,600 490.261,601 1.09,602 5.245,603 0.116,604 0.004,605 0.062,606 0.04,607 0.032,608 0.016,609 0.013,610 0.009,611 0.007,612 0.006,613 0.305,614 0.17,615 0.63,616 0.355,617 229.683,618 -0.027,619 -0.041,620 0.035,621 0.011,622 0.015,623 0.035,624 -0.012,625 -0.103,626 -0.018,627 -0.046,628 0.049,629 -0.053,630 -0.074,631 -0.022,632 0.026,633 0.048,634 -0.042,635 0.054,636 0.079,637 0.006,638 -0.044,639 -0.048,640 0.026,641 -0.069,642 -0.029,643 0.016,644 -0.019,645 -0.014,646 -0.05,647 -0.037,648 -0.042,649 -0.041,650 -0.012,651 -0.038,652 -0.071,653 -0.058,654 -0.079,655 0.013,656 -0.053,657 -0.014,658 -0.094,659 -0.04,660 -0.07,661 -0.041,662 -0.067,663 -0.042,664 -0.044,665 -0.021,666 1.599,667 5.128,668 0.59,669 54.568,670 0.991,671 1.126,672 3.631,673 13.181,674 0.66,675 3.784,676 4.06,677 4.331,678 4.605,679 4.828,680 4.89,681 4.99,682 5.088,683 5.075,684 4.97,685 11.54,686 0.613,687 547.2,688 3.784,689 5.303,690 6.142,691 7.004,692 7.865,693 8.74,694 9.614,695 10.497,696 11.378,697 12.266,698 5.1,703 1,705 1,706 1,708 1,714 4,715 8,716 1,717 1,720 5,722 21,734 1,740 1,741 78,743 22,744 2,745 43,747 82,748 32,749 17,750 5,751 7,756 5,757 9,758 1,767 4,770 10,772 18,773 14,777 1,782 1,786 1,793 39,794 5,795 3,796 7,797 1,802 4,808 0.4,809 2,822 1,824 1,828 1,829 4,832 1,833 2,843 1,858 1,859 2,865 1,868 39,876 14,877 2,878 1,892 1,893 2.6,896 1,897 1,901 18.833,902 13.593,903 8.75,904 5.268,907 4.037,908 1.478,909 0.999,910 10.146,911 12.485,912 4.016,913 4.593,914 5.199,915 5.82,916 6.368,917 6.689,918 7.044,919 7.389,920 7.488,921 7.37,922 1,923 58,924 14.501,926 6.084,927 0.026,929 7.52,931 28.714,933 24.022,936 2.02,937 78.778,941 423.76,942 143.647,943 69.593,944 39.149,945 36.145,948 143.647,949 499.053,950 69.593,952 56.752,953 75.381,954 75.646,955 39.461,956 13.915,957 411.989,958 39.149,959 423.76,960 213.239,961 36.145,962 39.149,964 353.133,965 95.772,966 11,968 78.439,969 100.004,970 73.945,972 423.76,973 105.737,974 182.795,977 423.76,978 68.266,979 75.381,980 52.807,981 92.079,982 423.76,983 105.737,984 182.795,986 0.563,987 0.324,988 0.183,989 0.101,990 25,991 10,992 0.171,993 14,994 3,995 1.261,996 5.322,997 351.045,998 0.261,999 23,1000 206.131,1005 27.95,1006 14.157,1007 7.535,1008 4.547,1009 88.952,1010 16.351,1011 4.91,1012 3.289,1015 5.86,1017 52.807,1018 712.292,1019 54.5,1024 12.128,1028 0.068,1031 77.29,1032 87.83,1034 0.233,1035 0.558,1036 0.758,1037 0.886,1038 0.922,1039 0.935,1040 5.232,1041 1.838,1042 6.084,1043 5.573,1044 4.745,1045 5.281,1046 2.18,1047 6.86,1048 4.68,1049 6.405,1050 1.611,1051 7.609,1052 3.807,1053 4.111,1054 5.085,1055 1.593,1056 7.711,1057 4.016,1058 7.699,1059 1.546,1060 9.244,1061 3.767,1062 6.282,1063 7.519,1064 2.965,1065 10.864,1066 6.173,1067 9.037,1068 1.475,1069 10.95,1070 3.415,1071 6.567,1072 8.26,1073 3.032,1074 12.65,1075 6.444,1076 10.418,1077 1.408,1078 12.706,1079 3.337,1080 8.131,1081 10.136,1082 4.052,1083 15.301,1084 7.99,1085 11.83,1086 1.256,1087 14.496,1088 3.193,1089 8.874,1090 11.303,1091 4.409,1092 17.454,1093 8.723,1094 13.265,1095 1.187,1096 16.312,1097 2.962,1098 10.183,1099 12.961,1100 5.254,1101 19.943,1102 10.014,1103 3.235,1104 1.047,1105 18.146,1106 2.749,1107 11.15,1108 14.321,1109 5.75,1110 22.243,1111 10.967,1112 3.061,1113 11.364,1114 19.994,1115 2.383,1116 12.357,1117 15.891,1118 6.502,1119 24.678,1120 12.156,1121 2.61,1122 10.264,1123 21.854,1124 4.582,1125 13.426,1126 17.336,1127 7.068,1128 27.039,1129 13.208,1130 2.383,1131 8.477,1132 23.722,1133 4.473,1134 14.596,1135 18.87,1136 7.771,1137 29.457,1138 14.359,1139 2.252,1140 6.886,1141 25.597,1142 3.534,1143 15.712,1144 20.352,1145 8.374,1146 31.845,1147 15.456,1148 2.063,1149 6.094,1150 27.477,1151 2.961,1152 16.869,1153 21.872,1154 9.051,1155 34.259,1156 16.594,1157 1.985,1158 6.006,1159 29.362,1160 2.829,1161 18.007,1162 23.371,1163 9.674,1164 36.661,1165 17.713,1166 31695,1167 48011,1168 29.701,1169 51.495,1170 62.518,1171 64.211,1172 63.728,1173 62.617,1174 62.44,1175 79.729,1176 6.632,1177 170.608,1178 60.165,1179 5.629,1180 5.577,1181 6.723,1182 5.275,1183 5.235,1184 7.582,1185 3.306,1186 18.902,1187 5.165,1188 12.694,1189 1.454,1190 1.493,1191 1.482,1192 1.456,1193 1.452,1194 1.854,1195 0.154,1196 3.968,1197 1.399,1198 4.141,1199 4.174,1200 4.132,1201 4.063,1202 7.429,1203 4.067,1204 4.099,1205 4.129,1206 4.074,1207 4.026,1208 5.041,1209 4.03,1210 3.791,1211 3.853,1212 3.779,1213 3.664,1214 4.969,1215 3.65,1216 3.736,1217 3.78,1218 3.661,1219 3.633,1220 4.685,1221 3.622,1222 3.672,1223 3.724,1224 3.532,1225 3.485,1226 4.561,1227 3.492,1228 3.533,1229 3.594,1230 3.419,1231 3.387,1232 4.301,1233 3.381,1234 3.443,1235 3.508,1236 3.384,1237 3.287,1238 4.271,1239 3.279,1240 3.311,1241 3.376,1242 3.263,1243 3.155,1244 4.179,1245 3.144,1246 0.108,1247 0.083,1248 0.159,1249 0.098,1250 0.075,1251 4.651,1252 0.107,1253 3.577,1254 0.044,1255 6.833,1256 0.264,1257 4.214,1258 0.074,1259 3.235,1260 4.582,1261 1.907,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.149,1267 2.158,1268 1.437,1269 2.159,1270 1.939,1271 1.916,1272 2.038,1273 2.018,1274 1.365,1275 2.025,1276 1.77,1277 1.711,1278 2.016,1279 1.955,1280 1.226,1281 1.975,1282 1.75,1283 1.706,1284 1.925,1285 1.873,1286 1.154,1287 1.892,1288 1.661,1289 1.613,1290 1.868,1291 1.862,1292 1.091,1293 1.874,1294 1.583,1295 1.527,1296 1.799,1297 1.791,1298 1.042,1299 1.796,1300 1.455,1301 1.385,1302 1.721,1303 1.673,1304 0.983,1305 1.692,1306 1.267,1307 1.213,1308 1.494,1309 1.515,1310 0.758,1311 1.514,1312 4.466,1314 5.753,1315 2.398,1316 7.236,1317 4.727,1318 8.826,1319 6.823,1320 10.481,1323 6.238,1328 12.922,1329 6.756,1330 5.71,1340 47.825,1341 114.131,1342 273.739,1343 371.59,1344 434.261,1345 452.261,1346 458.261,1347 69.488,1348 8.447,1349 79.04,1350 79.04,1351 29,1352 12.798,1353 4.524,1354 3.644,1355 62.421,1356 281,1357 234,1358 0.103,1359 294.987,1360 507.15,1361 711.528,1362 86263,1363 1.3,1364 26.865,1365 0.689,1366 0.6,1367 27.365,1368 23.416,1369 19.187,1370 0.446,1371 0.344,1372 14.335,1373 18.392,1374 14.046,1375 11.583,1376 19.475,1377 14.81,1378 16.438,1379 0.288,1380 0.191,1381 16.846,1382 10.88,1383 13.715,1384 0.183,1385 0.105,1386 13.977,1387 7.852,1388 11.6,1389 0.117,1390 0.057,1391 11.835,1392 5.688,1393 9.46,1394 0.076,1395 0.033,1396 9.692,1397 4.082,1398 0.175,1399 121.643,1400 0.183,1401 37.042,1402 0.248,1403 200,1404 494.318,1405 227.828,1406 510.84,1407 697.35,1408 482,1409 232,1410 488.304,1411 253.904,1412 504.915,1413 740.32,1414 480,1415 9.155}
{0 CHEMBL1084545,1 1.449,2 20.125,3 7.396,4 54.701,5 164.349,6 6.929,7 0.477,8 4.461,9 4.592,10 3.966,11 4.021,12 5.413,13 3.969,14 5.047,15 5.235,16 4.299,17 4.436,18 5.947,19 4.344,20 5.345,21 5.595,22 4.346,23 4.561,24 6.171,25 4.435,26 5.336,27 5.586,28 4.291,29 4.524,30 6.204,31 4.387,32 5.333,33 5.598,34 4.177,35 4.494,36 6.092,37 4.336,38 5.326,39 5.592,40 4.143,41 4.468,42 6.093,43 4.297,44 5.311,45 5.587,46 4.051,47 4.419,48 6.058,49 4.229,50 5.224,51 5.507,52 3.949,53 4.323,54 5.98,55 4.129,56 0.073,57 1.143,58 18.482,59 7.88,60 8.233,61 10.952,62 0.274,63 1.882,64 35.372,65 13.779,66 26.606,67 19.382,68 0.433,69 2.332,70 51.444,71 17.845,72 46.438,73 25.604,74 0.651,75 2.325,76 50.618,77 17.048,78 63.567,79 24.887,80 0.464,81 2.25,82 49.522,83 17.661,84 42.137,85 25.509,86 0.466,87 2.16,88 50.465,89 18.004,90 47.445,91 25.614,92 0.466,93 2.062,94 52.508,95 17.942,96 48.355,97 25.366,98 0.459,99 1.869,100 50.555,101 16.657,102 46.537,103 23.502,104 5,105 58,106 0.22,107 0.525,108 0.715,109 0.843,110 0.887,111 0.898,112 3.716,113 1.044,114 -5.04,115 -4.94,116 -4.63,121 40.7,123 11,127 4,144 7,145 4,146 2,148 2,153 1,154 1,160 1,176 16,180 7,183 1,185 8,187 19,192 4,197 7,200 13,205 1,206 5,209 2,211 7,214 15,219 2,222 1,224 3,227 13,232 6,237 4,239 16,244 5,249 2,251 14,256 4,260 1,261 1,264 15,269 3,272 1,273 1,274 1,277 11,281 3624,282 27.794,283 27.794,284 27.794,285 27.794,286 27.794,287 25.17,288 24.835,289 17.222,290 28.285,291 21.817,292 21.817,293 21.817,294 21.817,295 21.817,296 17.708,297 22.661,298 8.288,299 22.608,300 4.89,301 2.88,302 1.626,303 0.784,304 0.494,305 0.42,306 4.428,308 1,312 1,313 1780,314 4.637,317 113.22,318 471.647,321 208.71,322 382.285,325 3.106,326 28.755,329 0.75,330 0.67,331 0.67,332 0.9,333 0.5,334 0.67,335 0.5,336 0.66,337 84.333,338 805,339 4.651,340 3.577,341 6.833,342 4.214,343 3.235,344 4.582,345 1.907,346 11.364,347 3.165,348 4.523,349 3.373,350 6.526,351 4.047,352 3.061,353 4.473,354 0.86,355 10.264,356 3.019,357 3.99,358 3.14,359 6.004,360 3.58,361 2.61,362 3.534,363 0.4,364 8.477,365 2.532,366 3.659,367 2.943,368 5.427,369 3.385,370 2.383,371 2.961,372 0.149,373 6.886,374 2.376,375 3.584,376 2.562,377 5.131,378 3.193,379 2.252,380 2.829,382 6.094,383 2.103,384 3.42,385 2.404,386 5.035,387 3.045,388 2.063,389 2.768,391 6.006,392 2.025,393 3.365,394 2.272,395 4.899,396 2.897,397 1.986,398 2.699,400 5.573,401 1.863,402 3.046,403 2.094,404 4.197,405 2.852,406 1.868,407 2.318,409 3.819,410 1.703,411 2.894,412 1.932,413 4.121,414 2.572,415 1.632,416 1.901,418 3.794,419 1.545,420 2.736,421 1.757,422 3.98,423 2.519,424 1.546,425 1.788,427 3.441,428 1.502,429 2.688,430 1.546,431 3.842,432 2.466,433 1.525,434 1.734,436 3.358,437 1.42,438 2.591,439 1.517,440 3.712,441 2.422,442 1.431,443 1.607,445 3.238,446 1.398,447 2.535,448 1.434,449 3.614,450 2.249,451 1.257,452 1.531,454 3.028,455 1.246,456 2.487,457 1.346,458 3.572,459 2.184,460 1.205,461 1.486,463 2.762,464 1.175,465 2.208,466 1.309,467 3.486,468 2.108,469 1.139,470 1.194,472 2.555,473 1.097,474 19.481,475 0.487,476 0.657,477 0.016,478 45,479 1.125,480 20,481 0.5,482 25,483 0.625,484 43.222,485 1.081,486 44.119,487 0.545,488 31.412,489 0.785,490 8.081,491 0.202,492 11.606,493 0.29,494 0.054,496 0.257,501 0.789,502 1.273,503 0.778,504 1.065,505 0.587,506 1.01,507 0.936,508 1.228,509 0.877,510 1.077,511 0.644,512 1.069,513 1.077,514 1.037,515 0.907,516 0.928,517 0.993,518 0.925,519 0.941,520 1.038,521 0.938,522 0.997,523 1.012,524 1.026,525 0.94,526 0.984,527 0.868,528 0.969,529 0.857,530 1.006,531 1.03,532 0.999,533 0.908,534 1.008,535 1.084,536 1.035,537 1.137,538 0.953,539 1.083,540 1.005,541 1.178,542 1.024,543 1.091,544 0.895,545 1.212,546 1.017,547 1.112,548 1.001,549 5,550 0.119,551 3.556,552 2.292,553 1.653,554 0.747,555 0.538,556 0.324,557 0.25,558 0.212,559 37767,560 84887,561 2.138,562 50.6,563 12,564 15,565 1,567 3,568 4,569 6,572 1.788,573 2.069,574 4.16,575 0.682,582 117.403,583 1.449,584 3.46,585 4.714,586 5.556,587 5.846,588 5.92,589 3.496,590 4.972,591 5.3,592 4.469,593 3486.17,594 9.275,595 72643,600 513.528,601 1.076,602 5.283,603 0.114,604 0.004,605 0.061,606 0.039,607 0.031,608 0.016,609 0.013,610 0.009,611 0.007,612 0.006,613 0.299,614 0.17,615 0.63,616 0.349,617 238.203,618 -0.023,619 -0.04,620 0.035,621 0.01,622 0.019,623 0.034,624 -0.009,625 -0.108,626 -0.021,627 -0.052,628 0.053,629 -0.059,630 -0.066,631 -0.021,632 0.031,633 0.049,634 -0.034,635 0.056,636 0.085,637 0.006,638 -0.037,639 -0.043,640 0.034,641 -0.062,642 -0.023,643 0.015,644 -0.014,645 -0.012,646 -0.044,647 -0.032,648 -0.037,649 -0.039,650 -0.008,651 -0.034,652 -0.065,653 -0.053,654 -0.092,655 -0.023,656 -0.048,657 -0.02,658 -0.094,659 -0.039,660 -0.055,661 0.022,662 -0.063,663 -0.019,664 -0.039,665 -0.009,666 1.592,667 5.116,668 0.575,669 58.06,670 0.99,671 1.126,672 3.814,673 14.545,674 0.657,675 3.807,676 4.078,677 4.344,678 4.615,679 4.836,680 4.898,681 4.997,682 5.094,683 5.081,684 4.977,685 12.028,686 0.609,687 561.23,688 3.807,689 5.323,690 6.159,691 7.018,692 7.877,693 8.75,694 9.622,695 10.504,696 11.384,697 12.271,698 4.9,703 1,705 1,706 1,708 1,714 4,715 8,716 1,717 1,720 5,722 21,734 1,740 1,741 81,743 22,744 2,745 44,747 85,748 33,749 17,750 5,751 7,756 5,757 9,758 1,767 4,770 11,772 18,773 15,777 1,782 1,786 1,793 41,794 5,795 3,796 7,797 1,802 4,808 0.4,809 2,822 1,824 1,828 1,829 4,832 1,833 2,843 1,858 1,859 2,865 1,868 40,876 15,877 2,878 1,892 1,893 2.5,896 1,897 1,901 19.333,902 14.093,903 9,904 5.518,907 4.016,908 1.474,909 0.995,910 10.745,911 12.489,912 4.034,913 4.603,914 5.205,915 5.822,916 6.37,917 6.691,918 7.045,919 7.389,920 7.489,921 7.37,922 0.923,923 59,924 14.879,926 6.226,927 0.026,929 7.507,931 29.531,933 24.689,936 2.007,937 80.278,941 447.302,942 146.181,943 69.593,944 39.149,945 36.145,948 146.181,949 522.595,950 69.593,952 59.287,953 75.381,954 75.646,955 39.461,956 13.915,957 435.531,958 39.149,959 447.302,960 215.774,961 36.145,962 39.149,964 376.675,965 95.772,966 11,968 80.973,969 100.004,970 73.945,972 447.302,973 105.737,974 185.33,977 447.302,978 70.8,979 75.381,980 52.807,981 92.079,982 447.302,983 105.737,984 185.33,986 0.561,987 0.322,988 0.181,989 0.1,990 25,991 10,992 0.176,993 15,994 3,995 1.261,996 5.436,997 359.762,998 0.261,999 23,1000 212.877,1005 28.914,1006 14.864,1007 8.003,1008 4.568,1009 88.952,1010 16.379,1011 4.917,1012 3.29,1015 5.898,1017 52.807,1018 738.369,1019 55.5,1024 12.116,1028 0.075,1031 80.174,1032 91.245,1034 0.229,1035 0.546,1036 0.744,1037 0.876,1038 0.922,1039 0.934,1040 5.248,1041 1.868,1042 6.098,1043 5.573,1044 4.762,1045 5.291,1046 2.18,1047 6.868,1048 4.698,1049 6.417,1050 1.632,1051 7.619,1052 3.819,1053 4.111,1054 5.085,1055 1.593,1056 7.711,1057 4.016,1058 7.707,1059 1.546,1060 9.251,1061 3.794,1062 6.293,1063 7.522,1064 2.965,1065 10.866,1066 6.186,1067 9.043,1068 1.525,1069 10.955,1070 3.441,1071 6.567,1072 8.26,1073 3.032,1074 12.65,1075 6.444,1076 10.422,1077 1.431,1078 12.709,1079 3.358,1080 8.137,1081 10.137,1082 4.052,1083 15.301,1084 7.997,1085 11.832,1086 1.257,1087 14.498,1088 3.238,1089 8.874,1090 11.303,1091 4.409,1092 17.454,1093 8.723,1094 13.267,1095 1.205,1096 16.313,1097 3.028,1098 10.186,1099 12.962,1100 5.254,1101 19.943,1102 10.017,1103 3.235,1104 1.139,1105 18.146,1106 2.762,1107 11.15,1108 14.321,1109 5.75,1110 22.243,1111 10.967,1112 3.061,1113 11.364,1114 19.995,1115 2.555,1116 12.358,1117 15.891,1118 6.502,1119 24.678,1120 12.157,1121 2.61,1122 10.264,1123 21.854,1124 4.582,1125 13.426,1126 17.336,1127 7.068,1128 27.039,1129 13.208,1130 2.383,1131 8.477,1132 23.722,1133 4.473,1134 14.596,1135 18.87,1136 7.771,1137 29.457,1138 14.359,1139 2.252,1140 6.886,1141 25.597,1142 3.534,1143 15.712,1144 20.352,1145 8.374,1146 31.845,1147 15.456,1148 2.063,1149 6.094,1150 27.477,1151 2.961,1152 16.869,1153 21.872,1154 9.051,1155 34.259,1156 16.595,1157 1.986,1158 6.006,1159 29.362,1160 2.829,1161 18.007,1162 23.371,1163 9.674,1164 36.661,1165 17.713,1166 34645,1167 52139,1168 30.394,1169 53.256,1170 63.725,1171 65.482,1172 64.928,1173 63.868,1174 63.69,1175 80.977,1176 6.632,1177 173.102,1178 61.416,1179 5.631,1180 5.577,1181 6.743,1182 5.274,1183 5.235,1184 7.582,1185 3.306,1186 18.902,1187 5.165,1188 12.964,1189 1.448,1190 1.488,1191 1.476,1192 1.452,1193 1.448,1194 1.84,1195 0.151,1196 3.934,1197 1.396,1198 4.141,1199 4.174,1200 4.132,1201 4.063,1202 7.429,1203 4.067,1204 4.099,1205 4.129,1206 4.074,1207 4.026,1208 5.041,1209 4.03,1210 3.801,1211 3.863,1212 3.779,1213 3.668,1214 4.969,1215 3.654,1216 3.736,1217 3.78,1218 3.666,1219 3.648,1220 4.685,1221 3.634,1222 3.687,1223 3.74,1224 3.551,1225 3.498,1226 4.561,1227 3.506,1228 3.556,1229 3.619,1230 3.429,1231 3.402,1232 4.301,1233 3.395,1234 3.472,1235 3.531,1236 3.391,1237 3.331,1238 4.271,1239 3.322,1240 3.334,1241 3.402,1242 3.302,1243 3.183,1244 4.189,1245 3.172,1246 0.106,1247 0.081,1248 0.155,1249 0.096,1250 0.074,1251 4.651,1252 0.104,1253 3.577,1254 0.043,1255 6.833,1256 0.258,1257 4.214,1258 0.072,1259 3.235,1260 4.582,1261 1.907,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.149,1267 2.158,1268 1.437,1269 2.159,1270 1.939,1271 1.916,1272 2.039,1273 2.018,1274 1.386,1275 2.025,1276 1.787,1277 1.725,1278 2.032,1279 1.963,1280 1.226,1281 1.987,1282 1.75,1283 1.709,1284 1.926,1285 1.882,1286 1.173,1287 1.893,1288 1.666,1289 1.618,1290 1.877,1291 1.863,1292 1.127,1293 1.881,1294 1.604,1295 1.544,1296 1.83,1297 1.807,1298 1.064,1299 1.816,1300 1.501,1301 1.437,1302 1.746,1303 1.707,1304 0.987,1305 1.724,1306 1.302,1307 1.242,1308 1.559,1309 1.547,1310 0.811,1311 1.552,1312 4.489,1314 5.771,1315 2.398,1316 7.251,1317 4.727,1318 8.837,1319 6.823,1320 10.488,1323 6.244,1328 14.305,1329 6.776,1330 5.71,1340 49.352,1341 117.403,1342 280.263,1343 381.819,1344 450.018,1345 473.528,1346 479.528,1347 72.647,1348 8.473,1349 79.04,1350 79.04,1351 29,1352 12.804,1353 4.524,1354 3.644,1355 64.918,1356 301,1357 248,1358 0.1,1359 304.579,1360 524.45,1361 734.934,1362 90943,1363 1.2,1364 27.572,1365 0.689,1366 0.603,1367 28.072,1368 24.123,1369 19.687,1370 0.447,1371 0.348,1372 14.835,1373 18.892,1374 14.536,1375 12,1376 19.975,1377 15.31,1378 16.791,1379 0.29,1380 0.194,1381 17.2,1382 11.233,1383 13.965,1384 0.184,1385 0.107,1386 14.227,1387 8.102,1388 11.777,1389 0.118,1390 0.059,1391 12.012,1392 5.864,1393 9.585,1394 0.077,1395 0.034,1396 9.817,1397 4.207,1398 0.171,1399 124.643,1400 0.181,1401 37.933,1402 0.239,1403 204,1404 498.318,1405 231.828,1406 515.002,1407 703.11,1408 486,1409 236,1410 492.304,1411 257.904,1412 509.076,1413 746.08,1414 484,1415 8.523}
{0 CHEMBL1084635,1 1.437,2 8.25,3 2.622,4 6.875,5 78.927,6 6.533,7 0.273,8 3.821,9 3.951,10 3.284,11 3.322,12 4.787,13 3.283,14 4.428,15 4.629,16 3.7,17 3.776,18 5.379,19 3.712,20 4.694,21 4.907,22 3.752,23 3.984,24 5.541,25 3.882,26 4.833,27 5.07,28 3.61,29 4.013,30 5.66,31 3.855,32 4.828,33 5.128,34 3.463,35 3.851,36 5.584,37 3.672,38 4.562,39 4.83,40 3.205,41 3.59,42 5.384,43 3.427,44 4.33,45 4.612,46 3.077,47 3.34,48 5.187,49 3.191,50 4.149,51 4.406,52 2.794,53 3.043,54 5.214,55 2.928,56 0.03,57 0.602,58 10.099,59 4.05,60 6.487,61 5.732,62 0.347,63 1.003,64 19.359,65 6.85,66 30.675,67 10.058,68 0.205,69 1.248,70 25.035,71 9.362,72 24.216,73 13.427,74 0.243,75 1.335,76 28.834,77 10.838,78 35.453,79 15.578,80 0.234,81 1.216,82 28.924,83 10.064,84 34.242,85 15.107,86 0.324,87 0.909,88 22.57,89 7.561,90 31.84,91 10.974,92 0.135,93 0.735,94 17.612,95 5.859,96 20.132,97 8.811,98 0.37,99 0.581,100 15.57,101 3.847,102 39.93,103 5.838,104 23,105 33,106 0.257,107 0.579,108 0.808,109 0.871,110 0.871,111 0.871,112 3.059,113 1.003,114 -3.46,115 -3.44,116 -3.29,121 38.1,122 2,123 2,125 1,126 1,127 2,129 1,144 3,145 2,146 1,161 1,176 8,179 1,180 6,183 2,187 12,192 5,200 11,206 6,211 2,214 6,219 6,224 2,227 5,231 1,232 2,237 2,239 2,244 3,249 3,251 1,255 1,256 1,259 1,281 452,282 13.444,283 13.444,284 13.444,285 13.444,286 13.444,287 12.604,288 20.901,289 7.564,290 13.779,291 10.697,292 10.697,293 10.697,294 10.697,295 10.697,296 9.294,297 25.555,298 3.404,299 11.137,300 3.955,301 2.156,302 0.881,303 0.53,304 0.53,305 0.53,306 3.732,310 1,311 1,312 1,313 350,314 3.391,317 67.22,318 40.156,320 54.37,321 59.37,324 82.942,325 1.3,326 14.885,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 43,338 165,339 4.78,340 3.899,341 7.933,342 4.675,343 3.685,344 4.16,345 2.186,346 14.943,347 3.652,348 3.987,349 3.657,350 6.169,351 3.646,352 2.693,353 3.314,354 0.8,355 8.716,356 2.57,357 3.658,358 2.857,359 5.67,360 3.347,361 2.413,362 2.867,363 0.366,364 7.456,365 2.235,366 3.345,367 2.592,368 5.399,369 3.204,370 2.234,371 2.505,373 6.977,374 2.153,375 3.29,376 2.393,377 4.761,378 2.915,379 1.938,380 2.388,382 5.212,383 1.877,384 2.612,385 1.52,386 4.65,387 2.329,388 1.352,389 1.646,391 4.042,392 1.318,393 2.291,394 1.167,395 4.149,396 2.113,397 1.121,398 1.276,400 2.988,401 1.111,402 1.737,403 1.106,404 3.328,405 1.655,406 0.676,407 0.707,409 1.386,410 0.66,411 1.518,412 0.86,413 2.963,414 1.338,415 0.424,416 0.447,418 0.682,419 0.384,420 1.37,421 0.695,422 2.801,423 1.133,424 0.152,425 0.168,427 0.25,428 0.147,429 0.961,430 0.271,431 2.689,432 0.711,433 -0.269,434 -0.311,436 -0.581,437 -0.26,438 0.613,439 -0.307,440 2.403,441 0.319,442 -0.672,443 -0.762,445 -1.774,446 -0.66,447 0.559,448 -0.631,449 2.304,450 0.17,451 -0.826,452 -1.075,454 -2.622,455 -0.821,456 0.109,457 -0.692,458 2.256,459 -0.086,460 -1.075,461 -1.207,463 -2.942,464 -1.051,465 -0.196,466 -0.984,467 1.954,468 -0.307,469 -1.279,470 -1.42,472 -3.359,473 -1.233,474 9.467,475 0.473,476 0.592,477 0.03,478 21,479 1.05,480 8,481 0.4,482 13,483 0.65,484 19.282,485 0.964,486 22.933,487 0.546,488 13.361,489 0.668,490 3.821,491 0.191,492 5.759,493 0.288,494 0.194,495 0.053,496 0.306,501 0.784,502 1.463,503 0.897,504 1.25,505 0.6,506 1.107,507 0.628,508 0.911,509 0.831,510 0.859,511 0.377,512 0.856,513 0.962,514 1.077,515 1.041,516 1.086,517 0.645,518 1.072,519 0.929,520 1.198,521 1.163,522 1.251,523 0.878,524 1.248,525 0.661,526 0.962,527 0.816,528 0.973,529 0.661,530 0.924,531 1.245,532 0.935,533 1.075,534 0.986,535 0.962,536 1.016,537 0.846,538 1.177,539 0.839,540 1.093,541 1.007,542 0.988,543 2.225,544 0.771,545 1.407,546 0.81,547 3.104,548 0.969,549 5.5,550 0.017,551 3.333,552 2.271,553 1.286,554 0.608,555 0.456,556 0.275,557 0.143,558 0.065,559 3349,560 7454,561 2.036,562 52.4,563 3,564 11,567 1,569 7,572 1.62,573 1.86,574 3.001,575 -0.32,577 1,579 1,582 60.37,583 1.437,584 3.236,585 4.511,586 4.862,587 4.862,588 4.862,589 2.528,590 4.122,591 4.287,592 3.109,593 590.628,594 7.342,595 5770.57,596 1,597 1,599 1,600 226.477,601 1.72,602 4.22,603 0.25,604 0.006,605 0.101,606 0.067,607 0.048,608 0.026,609 0.027,610 0.018,611 0.014,612 0.013,613 0.57,614 0.83,615 1,616 1.445,617 86.815,618 -0.006,619 -0.177,620 0.069,621 -0.066,622 -0.025,624 0.288,625 0.26,626 0.155,627 0.197,628 0.247,629 0.168,630 -0.098,631 0.019,632 -0.077,633 -0.02,634 0.016,635 -0.039,636 -0.095,637 -0.189,638 -0.214,639 -0.208,640 -0.046,641 -0.228,642 0.058,643 -0.062,644 0.124,645 -0.015,646 0.056,647 0.054,648 -0.06,649 -0.03,650 -0.082,651 -0.029,652 -0.111,653 -0.059,654 0.068,655 -0.272,656 0.127,657 -0.139,658 0.029,659 -0.02,660 -0.252,661 0.181,662 -0.296,663 0.013,664 -0.379,665 -0.129,666 2.078,667 4.346,668 0.6,669 14.58,670 0.993,671 1.133,672 2.232,673 4.981,674 0.632,675 3.135,676 3.526,677 3.871,678 4.19,679 4.419,680 4.543,681 4.718,682 4.787,683 4.727,684 4.682,685 4.746,686 0.589,687 274.4,688 3.135,689 4.71,690 5.602,691 6.532,692 7.455,693 8.397,694 9.334,695 10.281,696 11.225,697 12.176,698 4.8,701 1,705 1,715 3,720 3,722 6,737 1,741 42,743 7,744 1,745 22,747 44,748 16,749 6,750 3,751 3,756 3,757 6,763 2,764 1,766 1,767 3,770 3,772 7,773 9,777 1,782 1,786 1,789 1,790 1,793 22,794 4,795 1,796 4,802 2,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 3,868 20,876 4,877 1,878 1,880 1,881 1,882 1,893 4.8,896 1,898 1,901 10.75,902 8.367,903 4.431,904 2.774,907 1.32,908 1.191,909 0.938,910 3.407,911 8.239,912 3.296,913 3.839,914 4.347,915 4.87,916 5.366,917 5.616,918 5.985,919 6.231,920 6.253,921 6.287,922 0.833,923 34,924 7.426,926 3.159,927 0.026,929 7.613,931 14.62,933 12.53,936 2.113,937 42.25,938 0.001,941 247.193,942 82.133,943 21.135,945 36.145,948 82.133,949 283.338,950 21.135,951 26.047,952 27.291,953 28.429,954 25.145,955 25.739,956 6.763,957 247.193,959 247.193,960 103.268,961 36.145,964 164.795,965 118.543,968 48.066,969 55.202,972 247.193,973 57.28,974 82.133,977 247.193,978 27.658,979 57.6,980 18.011,981 36.145,982 247.193,983 57.28,984 82.133,986 0.591,987 0.365,988 0.194,989 0.108,990 18,991 8,992 0.068,993 3,994 2,995 1.333,996 3.116,997 158.548,998 0.333,999 12,1000 86.439,1005 13.748,1006 4.956,1007 2.12,1009 57.28,1010 6.073,1015 3.402,1017 18.011,1018 386.606,1019 26,1024 11.346,1028 -0.411,1031 41.694,1032 47.567,1034 0.267,1035 0.6,1036 0.837,1037 0.902,1038 0.902,1039 0.902,1040 4.6,1041 0.676,1042 5.659,1043 2.988,1044 4.205,1045 4.522,1046 2.351,1047 6.619,1048 4.138,1049 5.815,1050 0.424,1051 7.322,1052 1.386,1053 4.111,1054 4.494,1055 1.847,1056 8.069,1057 4.039,1058 7.164,1059 0.152,1060 9.105,1061 0.682,1062 5.989,1063 6.626,1064 3.504,1065 11.215,1066 5.882,1067 8.552,1068 -0.269,1069 10.966,1070 0.25,1071 6.735,1072 7.368,1073 3.598,1074 13.534,1075 6.639,1076 9.977,1077 -0.672,1078 12.881,1079 -0.581,1080 8.176,1081 9.068,1082 4.907,1083 16.342,1084 8.062,1085 11.428,1086 -0.826,1087 14.836,1088 -1.774,1089 9.267,1090 10.15,1091 5.29,1092 18.937,1093 9.164,1094 12.901,1095 -1.075,1096 16.82,1097 -2.622,1098 10.591,1099 11.695,1100 6.387,1101 21.668,1102 10.48,1103 3.685,1104 -1.279,1105 18.827,1106 -2.942,1107 11.815,1108 12.942,1109 6.93,1110 24.341,1111 11.708,1112 2.693,1113 14.943,1114 20.85,1115 -3.359,1116 13.114,1117 14.422,1118 7.902,1119 27.053,1120 13.001,1121 2.413,1122 8.716,1123 22.886,1124 4.16,1125 14.388,1126 15.753,1127 8.539,1128 29.748,1129 14.272,1130 2.234,1131 7.456,1132 24.931,1133 3.314,1134 15.685,1135 17.204,1136 9.436,1137 32.454,1138 15.564,1139 1.938,1140 6.977,1141 26.982,1142 2.867,1143 16.977,1144 18.578,1145 10.13,1146 35.156,1147 16.85,1148 1.352,1149 5.212,1150 29.039,1151 2.505,1152 18.276,1153 20.015,1154 10.981,1155 37.861,1156 18.142,1157 1.121,1158 4.042,1159 31.099,1160 2.388,1161 19.575,1162 21.413,1163 11.71,1164 40.564,1165 19.434,1166 3397,1167 5164,1168 14.216,1169 26.534,1170 33.537,1171 34.691,1172 36.118,1173 33.346,1174 33.373,1175 38.955,1176 6.705,1177 105.304,1178 32.214,1179 5.743,1180 5.899,1181 7.485,1182 5.72,1183 5.685,1184 7.16,1185 3.889,1186 23.402,1187 5.652,1188 10.814,1189 1.524,1190 1.577,1191 1.642,1192 1.516,1193 1.517,1194 1.771,1195 0.305,1196 4.787,1197 1.464,1198 4.098,1199 4.13,1200 4.036,1201 4.027,1202 7.435,1203 4.025,1204 3.723,1205 3.766,1206 3.641,1207 3.578,1208 4.819,1209 3.583,1210 3.529,1211 3.593,1212 3.432,1213 3.256,1214 4.422,1215 3.274,1216 3.393,1217 3.477,1218 3.193,1219 3.197,1220 4.226,1221 3.2,1222 3.178,1223 3.247,1224 3.005,1225 3.026,1226 4.037,1227 3.011,1228 3.076,1229 3.184,1230 2.819,1231 2.881,1232 3.93,1233 2.852,1234 2.935,1235 2.981,1236 2.735,1237 2.66,1238 3.639,1239 2.661,1240 2.775,1241 2.848,1242 2.577,1243 2.6,1244 3.509,1245 2.598,1246 0.217,1247 0.177,1248 0.361,1249 0.213,1250 0.167,1251 4.78,1252 0.189,1253 3.899,1254 0.099,1255 7.933,1256 0.679,1257 4.675,1258 0.166,1259 3.685,1260 4.16,1261 2.186,1262 14.943,1263 3.652,1264 1.911,1265 1.893,1266 2.013,1267 1.994,1268 1.312,1269 1.999,1270 1.677,1271 1.623,1272 1.892,1273 1.864,1274 1.218,1275 1.876,1276 1.591,1277 1.52,1278 1.843,1279 1.778,1280 1.072,1281 1.798,1282 1.405,1283 1.336,1284 1.691,1285 1.722,1286 0.828,1287 1.715,1288 1.272,1289 1.186,1290 1.604,1291 1.494,1292 0.682,1293 1.538,1294 1.095,1295 1.016,1296 1.451,1297 1.337,1298 0.595,1299 1.375,1300 0.848,1301 0.795,1302 1.129,1303 1.187,1304 0.3,1305 1.168,1306 0.801,1307 0.728,1308 1.098,1309 1.001,1310 0.162,1311 1.045,1312 3.807,1314 5.176,1315 3.045,1316 6.751,1317 5.587,1318 8.425,1319 7.832,1320 10.161,1322 6.154,1328 4.565,1329 2.484,1330 5.272,1332 0.595,1333 2.569,1334 0.202,1340 24.74,1341 60.37,1342 135.909,1343 189.458,1344 204.213,1345 204.213,1346 204.213,1347 28.615,1348 6.919,1349 41.57,1350 41.57,1351 16,1352 12.666,1353 3,1354 2.322,1355 29.916,1356 56,1357 64,1358 0.278,1359 151.939,1360 266.4,1361 362.492,1362 7638,1364 14.328,1365 0.716,1366 0.62,1367 14.328,1368 12.402,1369 9.58,1370 0.435,1371 0.334,1372 7.256,1373 9.198,1374 6.981,1375 5.795,1376 9.58,1377 7.352,1378 8.85,1379 0.268,1380 0.181,1381 8.85,1382 5.974,1383 7.933,1384 0.169,1385 0.107,1386 7.933,1387 5.025,1388 6.518,1389 0.1,1390 0.059,1391 6.518,1392 3.843,1393 5.336,1394 0.065,1395 0.034,1396 5.336,1397 2.762,1398 0.418,1399 60.006,1400 0.265,1401 19.444,1402 0.817,1403 110,1404 277.449,1405 120.555,1406 264.042,1407 365.45,1408 248,1409 135,1410 274.782,1411 144.479,1412 276.386,1413 409.99,1414 260,1415 7.42}
{0 CHEMBL1084703,1 1.401,2 11.667,3 4.662,4 21.737,5 105.659,6 7.181,7 0.593,8 3.934,9 4.06,10 3.548,11 3.557,12 4.877,13 3.485,14 4.494,15 4.68,16 3.864,17 3.976,18 5.347,19 3.866,20 4.784,21 5.025,22 3.851,23 4.085,24 5.523,25 3.922,26 4.856,27 5.144,28 3.651,29 4.002,30 5.524,31 3.8,32 4.701,33 4.994,34 3.497,35 3.867,36 5.364,37 3.678,38 4.569,39 4.82,40 3.527,41 3.869,42 5.279,43 3.686,44 4.603,45 4.87,46 3.452,47 3.853,48 5.282,49 3.633,50 4.441,51 4.71,52 3.244,53 3.651,54 5.115,55 3.432,56 0.063,57 0.694,58 11.291,59 4.469,60 7.528,61 6.23,62 0.159,63 1.176,64 20.442,65 7.947,66 14.708,67 10.904,68 0.183,69 1.481,70 29.443,71 11.036,72 18.841,73 15.287,74 0.239,75 1.544,76 33.956,77 11.917,78 23.106,79 16.255,80 0.244,81 1.317,82 29.123,83 10.196,84 20.381,85 13.941,86 0.142,87 1.162,88 23.591,89 9.251,90 15.564,91 12.669,92 0.181,93 1.197,94 27.414,95 10.35,96 17.996,97 13.539,98 0.121,99 1.006,100 23.579,101 8.783,102 14.392,103 11.675,105 36,106 0.239,107 0.542,108 0.688,109 0.797,110 0.832,111 0.832,112 3.227,113 1.056,114 -4.96,115 -4.87,116 -4.56,121 42.6,123 2,124 1,127 4,144 9,145 2,149 1,154 1,176 12,180 4,183 1,185 2,187 11,192 5,197 3,200 5,206 5,211 2,214 3,219 3,222 1,224 1,227 8,239 10,243 1,244 1,249 1,251 9,256 1,261 2,264 3,269 3,274 2,277 1,281 806,282 16.861,283 16.861,284 16.861,285 16.861,286 16.861,287 14.953,288 18.133,289 10.268,290 17.174,291 13.381,292 13.381,293 13.381,294 13.381,295 13.381,296 10.634,297 25.729,298 4.933,299 13.875,300 4.154,301 2.381,302 1.524,303 0.885,304 0.681,305 0.681,306 3.935,311 1,312 1,313 626,314 2.449,317 55.262,318 229.149,321 103.405,325 1.972,326 8.955,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 49.5,338 280,339 4.524,340 3.111,341 6.526,342 4.018,343 3.063,344 4.473,345 0.916,346 10.265,347 2.917,348 3.941,349 3.016,350 5.617,351 3.686,352 2.724,353 3.457,354 0.4,355 7.789,356 2.628,357 3.615,358 2.576,359 5.344,360 3.466,361 2.472,362 2.785,363 0.172,364 6.973,365 2.457,366 3.407,367 2.302,368 5.116,369 3.06,370 2.118,371 2.615,373 6.035,374 1.988,375 3.152,376 2.049,377 4.944,378 2.901,379 1.953,380 2.318,382 5.771,383 1.847,384 3.046,385 1.546,386 4.185,387 2.495,388 1.546,389 2.229,391 3.763,392 1.446,393 2.823,394 1.519,395 3.602,396 2.416,397 1.422,398 1.925,400 3.044,401 1.413,402 2.648,403 1.265,404 3.586,405 2.185,406 1.204,407 1.713,409 2.814,410 1.178,411 2.5,412 1.077,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.155,421 1,422 3.286,423 1.984,424 1,425 1.042,427 2.136,428 0.983,429 2,430 0.93,431 3.247,432 1.778,433 0.819,434 1,436 1.896,437 0.782,438 1.702,439 0.536,440 3.018,441 1.418,442 0.462,443 0.568,445 1.09,446 0.437,447 1.219,448 0.283,449 2.77,450 1.014,451 0.057,452 0.064,454 0.143,455 0.054,456 0.779,457 -0.315,458 2.243,459 0.51,460 -0.464,461 -0.532,463 -1.099,464 -0.448,465 0.66,466 -0.659,467 2,468 0.192,469 -0.774,470 -0.965,472 -1.812,473 -0.737,474 12.033,475 0.501,476 0.376,477 0.016,478 29.5,479 1.229,480 14.5,481 0.604,482 15,483 0.625,484 20.306,485 0.846,486 25.167,487 0.535,488 16.831,489 0.701,490 5.476,491 0.228,492 6.406,493 0.267,496 0.241,501 0.9,502 1.248,503 0.784,504 0.984,505 0.818,506 0.948,507 1.243,508 1.025,509 0.898,510 0.904,511 0.878,512 0.987,513 0.995,514 1.167,515 0.923,516 1.041,517 0.79,518 1.072,519 1.263,520 1.01,521 1,522 0.956,523 0.992,524 0.968,525 1.251,526 0.783,527 0.967,528 0.837,529 1.092,530 0.858,531 0.984,532 0.984,533 0.957,534 0.986,535 1.228,536 1.065,537 0.873,538 0.957,539 1.196,540 1.129,541 1.134,542 1.083,543 0.626,544 1.212,545 1.17,546 1.276,547 0.84,548 1.15,549 3.5,550 0.062,551 2,552 0.979,553 0.716,554 0.306,555 0.331,556 0.205,557 0.083,558 0.093,559 7924,560 17005,561 2.213,562 48.9,564 17,567 1,569 5,572 1.66,573 2.182,574 3.5,575 -0.383,582 65.83,583 1.401,584 3.173,585 4.03,586 4.669,587 4.874,588 4.874,589 2.924,590 4.168,591 4.558,592 3.673,593 1013.63,594 7.817,595 12529.9,597 1,600 261.066,601 0.811,602 4.56,603 0.13,604 0.005,605 0.056,606 0.03,607 0.028,608 0.013,609 0.014,610 0.01,611 0.005,612 0.007,613 0.295,614 0.5,615 1,617 117.023,618 0.117,619 -0.133,620 0.104,621 -0.019,622 0.118,623 0.025,624 -0.043,625 0.06,626 -0.013,627 0.021,628 0.031,629 -0.037,630 0.014,631 -0.18,632 -0.015,633 -0.105,634 0.086,635 -0.105,636 -0.077,637 -0.041,638 -0.023,639 -0.014,640 0.016,641 -0.012,642 -0.059,643 0.187,644 -0.004,645 0.097,646 -0.085,647 0.097,648 -0.107,649 -0.024,650 -0.067,651 -0.047,652 -0.255,653 -0.088,654 -0.006,655 0.002,656 -0.113,657 -0.081,658 -0.174,659 -0.084,660 0.11,661 -0.285,662 -0.099,663 -0.225,664 -0.018,665 -0.14,666 0.609,667 1.571,668 0.875,669 22.75,670 0.983,671 1.118,672 3.732,673 13.929,674 0.687,675 3.332,676 3.611,677 3.871,678 4.111,679 4.29,680 4.234,681 4.344,682 4.466,683 4.443,684 4.533,685 6.862,686 0.628,687 337.53,688 3.332,689 4.844,690 5.68,691 6.532,692 7.381,693 8.238,694 9.091,695 9.951,696 10.807,697 11.668,698 6.4,701 1,703 1,708 1,714 2,715 9,716 1,719 1,720 2,722 16,734 1,741 47,743 16,744 2,745 27,747 50,748 20,749 13,750 3,751 9,756 4,757 5,767 2,768 1,770 2,772 13,773 7,774 1,790 1,793 23,794 3,795 1,796 4,797 1,800 1,802 3,808 0.75,828 1,829 3,832 1,855 1,859 3,862 1,868 24,876 6,877 1,880 1,881 1,901 11,902 8.15,903 5.306,904 2.974,907 2.869,908 1.393,909 1.016,910 4.978,911 10.176,912 3.584,913 4.139,914 4.708,915 5.269,916 5.703,917 5.794,918 6.111,919 6.416,920 6.117,921 6.287,922 0.875,923 33,924 8.894,926 3.732,927 0.026,929 7.347,931 17.883,933 15.162,936 1.847,937 44.333,938 0.001,940 1,941 258.964,942 138.662,943 36.111,947 31.052,948 107.61,949 258.964,950 36.111,952 13.492,953 85.286,954 32.987,955 8.883,956 3.074,957 290.016,959 258.964,960 143.721,962 31.052,964 200.109,965 58.856,968 16.616,969 94.118,970 32.987,971 31.052,972 258.964,973 36.111,974 138.662,977 258.964,978 53.376,979 88.411,980 18.011,981 14.976,982 258.964,983 36.111,984 138.662,986 0.568,987 0.328,988 0.18,989 0.096,990 18,991 6,992 0.1,993 5,994 1,995 1.095,996 3.909,997 188.507,998 0.095,999 21,1000 100.039,1001 1,1005 15.891,1006 7.519,1007 3.913,1008 2.515,1009 36.111,1010 19.251,1011 4.571,1014 1.581,1015 2.477,1017 18.011,1018 433.738,1019 35,1031 46.218,1032 52.567,1034 0.252,1035 0.571,1036 0.726,1037 0.841,1038 0.877,1039 0.877,1040 4.787,1041 1.204,1042 5.617,1043 3.044,1044 4.29,1045 4.824,1046 1.038,1047 6.358,1048 4.218,1049 5.943,1050 1,1051 7.12,1052 2.814,1053 3.611,1054 4.388,1055 0.325,1056 7.096,1057 3.479,1058 7.211,1059 1,1060 8.724,1061 2.275,1062 5.808,1063 6.977,1064 0.697,1065 10.187,1066 5.661,1067 8.516,1068 0.819,1069 10.39,1070 2.136,1071 6.019,1072 7.52,1073 0.393,1074 11.84,1075 5.804,1076 9.862,1077 0.462,1078 12.099,1079 1.896,1080 7.603,1081 9.5,1082 0.537,1083 14.406,1084 7.376,1085 11.236,1086 0.057,1087 13.84,1088 1.09,1089 8.252,1090 10.537,1091 0.384,1092 16.446,1093 7.956,1094 12.634,1095 -0.464,1096 15.604,1097 0.143,1098 9.563,1099 12.245,1100 0.438,1101 18.843,1102 9.247,1103 3.063,1104 -0.774,1105 17.386,1106 -1.099,1107 10.437,1108 13.528,1109 0.351,1110 21.049,1111 10.053,1112 2.724,1113 10.265,1114 19.183,1115 -1.812,1116 11.624,1117 15.115,1118 0.366,1119 23.394,1120 11.211,1121 2.472,1122 7.789,1123 20.993,1124 4.473,1125 12.613,1126 16.513,1127 0.312,1128 25.67,1129 12.135,1130 2.118,1131 6.973,1132 22.812,1133 3.457,1134 13.746,1135 18.047,1136 0.309,1137 28,1138 13.231,1139 1.953,1140 6.035,1141 24.641,1142 2.785,1143 14.793,1144 19.499,1145 0.273,1146 30.305,1147 14.217,1148 1.546,1149 5.771,1150 26.476,1151 2.615,1152 15.905,1153 21.011,1154 0.262,1155 32.632,1156 15.287,1157 1.422,1158 3.763,1159 28.318,1160 2.318,1161 16.981,1162 22.487,1163 0.236,1164 34.949,1165 16.305,1166 7277,1167 10796,1168 19.068,1169 32.279,1170 39.913,1171 39.84,1172 39.975,1173 39.71,1174 39.682,1175 51.379,1176 2.978,1177 107.99,1178 38.26,1179 5.524,1180 5.111,1181 6.328,1182 5.081,1183 5.063,1184 7.473,1185 1.605,1186 16.922,1187 4.917,1189 1.478,1190 1.476,1191 1.481,1192 1.471,1193 1.47,1194 1.903,1195 0.11,1196 4,1197 1.417,1198 4.066,1199 4.089,1200 4.305,1201 4.047,1202 4.959,1203 4.009,1204 3.945,1205 3.988,1206 3.866,1207 3.866,1208 4.755,1209 3.859,1210 3.812,1211 3.861,1212 3.699,1213 3.702,1214 4.401,1215 3.693,1216 3.429,1217 3.507,1218 3.435,1219 3.263,1220 4.296,1221 3.252,1222 3.248,1223 3.306,1224 3.259,1225 3.133,1226 3.952,1227 3.105,1228 3.111,1229 3.206,1230 2.993,1231 2.941,1232 3.728,1233 2.91,1234 3.023,1235 3.092,1236 2.866,1237 2.917,1238 3.674,1239 2.872,1240 2.883,1241 2.94,1242 2.76,1243 2.785,1244 3.616,1245 2.763,1246 0.168,1247 0.115,1248 0.242,1249 0.149,1250 0.113,1251 4.524,1252 0.166,1253 3.111,1254 0.034,1255 6.526,1256 0.38,1257 4.018,1258 0.108,1259 3.063,1260 4.473,1261 0.916,1262 10.265,1263 2.917,1264 1.937,1265 1.909,1266 2.093,1267 2.068,1268 1.46,1269 2.08,1270 1.918,1271 1.892,1272 2.015,1273 1.984,1274 1.156,1275 1.999,1276 1.821,1277 1.769,1278 1.987,1279 1.936,1280 1.136,1281 1.96,1282 1.404,1283 1.337,1284 1.618,1285 1.644,1286 0.852,1287 1.647,1288 1.208,1289 1.156,1290 1.513,1291 1.393,1292 0.825,1293 1.429,1294 1.153,1295 1.064,1296 1.415,1297 1.376,1298 0.605,1299 1.414,1300 1.011,1301 0.972,1302 1.231,1303 1.176,1304 0.383,1305 1.221,1306 0.929,1307 0.882,1308 1.181,1309 1.062,1310 0.263,1311 1.107,1312 4.007,1314 5.293,1315 2.398,1316 6.777,1317 4.727,1318 8.343,1319 6.823,1320 9.949,1328 7.034,1329 3.583,1332 0.748,1333 2.573,1340 29.519,1341 65.83,1342 149.146,1343 189.417,1344 219.456,1345 229.066,1346 229.066,1347 26.896,1348 7.308,1349 28.16,1350 56.4,1351 23,1352 12.219,1353 4.087,1354 3.17,1355 34.226,1356 100,1357 88,1358 0.165,1359 184.066,1360 305.45,1361 440.88,1362 16163,1364 16.192,1365 0.675,1366 0.61,1367 16.546,1368 14.635,1369 11.882,1370 0.44,1371 0.352,1372 8.73,1373 11.196,1374 8.47,1375 7.017,1376 12.336,1377 9.502,1378 10.25,1379 0.285,1380 0.206,1381 10.801,1382 7.418,1383 8.785,1384 0.187,1385 0.122,1386 9.493,1387 5.718,1388 7.316,1389 0.122,1390 0.07,1391 8.116,1392 4.2,1393 5.915,1394 0.082,1395 0.042,1396 6.547,1397 3.014,1398 0.268,1399 77.355,1400 0.229,1401 24.101,1402 0.427,1403 126,1404 272.483,1405 153.861,1406 295.75,1407 416.66,1408 280,1409 146,1410 296.826,1411 173.817,1412 323.336,1413 468.41,1414 305,1415 7.004}
{0 CHEMBL1084709,1 1.585,2 5.571,3 0.52,4 0.27,5 53.395,6 7.317,7 0.667,8 3.369,9 3.51,10 2.92,11 2.84,12 4.53,13 2.836,14 3.858,15 4.056,16 3.291,17 3.215,18 5.02,19 3.199,20 4,21 4.175,22 3.283,23 3.339,24 5.16,25 3.293,26 4.14,27 4.374,28 3.013,29 3.3,30 5.2,31 3.174,32 4.007,33 4.312,34 2.608,35 3,36 4.923,37 2.818,38 3.616,39 3.923,40 2.293,41 2.539,42 4.598,43 2.371,44 3.002,45 3.261,46 1.932,47 2.002,48 4.21,49 1.917,50 2.935,51 3.176,52 0.954,53 1.607,54 4.317,55 1.477,56 0.028,57 0.407,58 5.513,59 1.943,60 6.329,61 2.856,62 0.159,63 0.613,64 10.003,65 3.183,66 19.043,67 4.784,68 0.116,69 0.688,70 11.292,71 3.846,72 16.414,73 5.535,74 0.252,75 0.689,76 14.114,77 4.469,78 24.4,79 6.638,80 0.142,81 0.511,82 13.393,83 4.321,84 24.497,85 6.65,86 0.169,87 0.328,88 9.201,89 2.794,90 18.433,91 4.306,92 0.045,93 0.185,94 4.606,95 1.284,96 7.42,97 1.997,98 0.18,99 0.133,100 4.855,101 0.733,102 34.717,103 1.037,104 18,105 22,106 0.314,107 0.707,108 0.814,109 0.844,110 0.844,111 0.844,112 2.735,113 0.894,114 -1.76,115 -1.83,116 -1.84,121 38.5,122 1,126 1,144 2,145 1,148 1,153 2,160 1,163 1,165 1,166 1,167 1,176 2,180 3,182 2,183 1,185 1,187 1,189 3,192 3,197 1,203 2,205 1,206 1,208 1,209 1,211 1,214 1,216 2,227 2,234 1,238 1,242 1,244 1,249 1,253 1,281 140,282 9,283 9,284 9,285 9,286 9,287 7.621,288 6.58,289 5.06,290 9.179,291 7.347,292 7.347,293 7.347,294 7.347,295 7.347,296 5.263,297 5.04,298 2.363,299 7.652,300 3.115,301 1.135,302 0.597,303 0.443,304 0.443,305 0.443,306 3.368,311 1,312 1,313 160,314 2.345,317 26.246,318 30.517,321 47.767,325 1,326 10.373,329 1,330 0.83,331 0.83,332 0.6,334 1,335 1,336 0.75,337 30.5,338 78,339 4.622,340 3.509,341 6.664,342 4.105,343 3.172,344 4.584,345 0.98,346 10.641,347 2.969,348 4.036,349 3.205,350 5.927,351 3.672,352 2.673,353 3.512,355 8.19,356 2.654,357 3.403,358 2.31,359 5.333,360 2.953,361 2,362 2.708,364 6.117,365 1.903,366 3.142,367 1.811,368 4.735,369 2.625,370 1.681,371 2.439,373 4.891,374 1.58,375 2.748,376 1.686,377 3.787,378 2.236,379 1.223,380 1.76,382 2.897,383 1.227,384 2.188,385 0.971,386 3.481,387 1.752,388 0.781,389 1.056,391 1.937,392 0.755,393 1.056,394 0.158,395 2.454,396 0.73,397 -0.226,398 -0.279,400 -0.539,401 -0.215,402 0.857,403 -0.007,404 2.271,405 0.365,406 -0.597,407 -0.791,409 -1.593,410 -0.568,411 0.433,412 -0.506,413 2.225,414 0.042,415 -1,416 -1.331,418 -2,419 -0.981,420 0.408,421 -0.882,422 1.709,423 -0.016,424 -1,425 -1.404,427 -2.865,428 -1.032,429 -0.125,430 -1.141,431 1.362,432 -0.392,433 -1.327,434 -1.673,436 -3.635,437 -1.241,438 -0.313,439 -1.565,440 1.263,441 -0.678,442 -1.649,443 -2.145,445 -5.303,446 -1.584,447 -0.373,448 -1.744,449 1.048,450 -0.867,451 -1.792,452 -2.585,454 -5.677,455 -1.674,456 -0.5,457 -1.924,458 1,459 -0.987,460 -1.938,461 -2.851,463 -6.106,464 -1.846,465 -0.582,466 -2,467 0.741,468 -1.041,469 -2,470 -3,471 -0.98,472 -6.952,473 -1.947,474 6.533,475 0.467,476 0.494,477 0.035,478 18,479 1.286,480 8.5,481 0.607,482 9.5,483 0.679,484 8.571,485 0.612,486 15.367,487 0.591,488 11.251,489 0.804,490 3.779,491 0.27,492 2.813,493 0.201,494 0.265,496 0.429,501 0.858,502 1.545,503 0.812,504 1.135,505 0.728,506 0.977,507 0.731,508 0.988,509 0.681,510 0.758,511 0.383,512 0.703,513 1.155,514 1.302,515 1.11,516 1.185,517 0.909,518 1.144,519 1.011,520 0.979,521 1.32,522 1.19,523 0.937,524 1.285,525 0.654,526 0.904,527 0.846,528 1.008,529 0.733,530 0.971,531 0.61,532 0.778,533 0.786,534 0.934,535 0.996,536 0.911,537 1.138,538 1.251,539 0.976,540 1.252,541 1.048,542 1.107,543 4.151,544 0.516,545 2.451,546 0.704,547 5.365,548 1.251,549 3.5,551 2.222,552 1.576,553 0.648,554 0.459,555 0.274,559 1150,560 3191,561 1.952,562 46.2,564 5,565 2,567 2,568 3,572 1.511,573 1.75,574 2.559,575 0.547,579 1,582 41.218,583 1.585,584 3.565,585 4.104,586 4.258,587 4.258,588 4.258,589 1.985,590 3.236,591 3.779,592 2.614,593 237.918,594 6.311,595 1811.32,597 1,600 122.211,601 1.557,602 3.689,603 0.233,605 0.101,606 0.075,607 0.046,608 0.051,609 0.046,613 0.552,614 0.83,615 1,616 1.06,617 51.725,618 -0.097,619 -0.298,620 0.036,621 -0.09,622 -0.141,623 -0.016,624 0.13,625 0.153,626 0.235,627 0.23,628 0.213,629 0.25,630 -0.216,631 -0.175,632 -0.22,633 -0.167,634 -0.061,635 -0.189,636 -0.091,637 0.034,638 -0.389,639 -0.233,640 -0.105,641 -0.342,642 0.07,643 -0.113,644 0.136,645 -0.033,646 0.042,647 0.05,648 0.329,649 -0.009,650 0.236,652 0.061,653 0.08,654 -0.012,655 -0.393,656 0.033,657 -0.341,658 0.229,659 -0.166,660 -1.292,661 0.283,662 -1.254,663 -0.016,664 -1.414,665 -0.555,666 2.069,667 3.938,668 0.643,669 7.143,670 1.004,671 1.137,672 0.533,673 0.284,674 0.65,675 2.773,676 3.135,677 3.401,678 3.611,679 3.761,680 3.784,681 3.85,682 3.611,683 2.833,684 2.079,685 3.56,686 0.621,687 190.25,688 2.773,689 4.317,690 5.176,691 6.066,692 6.948,693 7.842,694 8.731,695 9.626,696 10.518,697 11.413,698 11.5,705 1,706 1,708 1,714 1,715 4,720 2,721 1,722 10,728 1,741 26,743 11,745 15,747 27,748 10,749 7,752 1,756 2,757 3,763 1,772 8,773 2,777 1,782 1,786 1,790 1,793 12,794 2,795 2,796 4,799 1,802 3,803 1,808 0.5,809 1,822 1,828 1,829 1,832 1,859 1,864 2,868 14,869 1,893 3.8,896 1,901 8,902 5.283,903 3.028,904 1.44,907 2.212,908 1.386,909 0.991,910 2.039,911 7.939,912 3.091,913 3.79,914 4.438,915 5.062,916 5.577,917 5.925,918 6.337,919 6.508,920 5.954,921 5.445,922 0.75,923 21,924 5.122,925 0.002,926 2.125,927 0.026,929 7.905,931 9.633,932 0.001,933 7.662,934 -0.001,936 2.405,937 33.667,938 0.004,941 117.711,942 66.631,943 36.083,945 25.145,948 66.631,949 142.856,950 36.083,951 17.222,952 32.897,953 37.047,954 33.464,955 7.229,956 23.542,957 94.169,959 117.711,960 102.714,961 25.145,964 117.711,965 25.145,968 47.481,969 53.334,970 1.899,972 117.711,973 61.228,974 66.631,977 117.711,978 12.362,979 57.454,981 58.042,982 117.711,983 61.228,984 66.631,986 0.603,987 0.357,988 0.174,989 0.091,990 12,991 6,992 0.037,993 1,994 1,995 1.222,996 2.522,997 90.132,998 0.222,999 9,1000 53.303,1005 9.214,1006 3.098,1007 1.431,1008 1.035,1009 58.042,1010 7.316,1015 1.653,1016 2.046,1017 32.897,1018 245.57,1019 21,1024 10.938,1028 -0.402,1031 26.109,1032 29.573,1034 0.337,1035 0.759,1036 0.873,1037 0.906,1038 0.906,1039 0.906,1040 4.324,1041 -0.597,1042 5.209,1043 -0.539,1044 3.807,1045 4.472,1046 1.072,1047 6.061,1048 3.726,1049 5.594,1050 -1,1051 6.812,1052 -1.593,1053 3.611,1054 4.543,1056 7.05,1057 3.481,1058 6.944,1059 -1,1060 8.512,1061 -2,1062 5.451,1063 6.827,1064 1.045,1065 10.134,1066 5.273,1067 8.332,1068 -1.327,1069 10.263,1070 -2.865,1071 6.019,1072 7.694,1074 11.913,1075 5.779,1076 9.749,1077 -1.649,1078 12.046,1079 -3.635,1080 7.41,1081 9.51,1082 1.019,1083 14.53,1084 7.122,1085 11.188,1086 -1.792,1087 13.85,1088 -5.303,1089 8.306,1090 10.737,1092 16.642,1093 7.949,1094 12.645,1095 -1.938,1096 15.669,1097 -5.677,1098 9.534,1099 12.371,1100 0.993,1101 19.094,1102 9.123,1103 3.172,1104 -2,1105 17.501,1106 -6.106,1107 10.57,1108 13.762,1110 21.349,1111 10.086,1112 2.673,1113 10.641,1114 19.342,1115 -6.952,1116 11.739,1117 15.325,1118 0.967,1119 23.74,1120 11.195,1121 2,1122 8.19,1123 21.191,1124 4.584,1125 12.835,1126 16.788,1128 26.056,1129 12.218,1130 1.681,1131 6.117,1132 23.047,1133 3.512,1134 13.985,1135 18.324,1136 0.942,1137 28.428,1138 13.302,1139 1.223,1140 4.891,1141 24.908,1142 2.708,1143 15.108,1144 19.819,1146 30.769,1147 14.352,1148 0.781,1149 2.897,1150 26.774,1151 2.439,1152 16.254,1153 21.345,1154 0.917,1155 33.134,1156 15.429,1157 -0.226,1158 1.937,1159 28.644,1160 1.76,1161 17.39,1162 22.855,1164 35.488,1165 16.492,1166 1244,1167 2133,1168 9.364,1169 16.898,1170 23.481,1171 23.881,1172 24.652,1173 23.087,1174 23.061,1175 32.118,1176 1.96,1177 69.343,1178 22.177,1179 5.205,1180 5.509,1181 5.923,1182 5.146,1183 5.172,1184 7.584,1185 1.96,1186 17.593,1187 4.916,1188 8.143,1189 1.565,1190 1.592,1191 1.643,1192 1.539,1193 1.537,1194 2.141,1195 0.131,1196 4.623,1197 1.478,1198 4.167,1199 4.219,1200 4.132,1201 4.002,1202 7.437,1203 4.029,1204 3.616,1205 3.658,1206 3.554,1207 3.461,1208 4.984,1209 3.474,1210 3.228,1211 3.303,1212 3.102,1213 3.001,1214 4.86,1215 3.011,1216 3.134,1217 3.241,1218 2.94,1219 2.864,1220 4.243,1221 2.872,1222 2.944,1223 3.041,1224 2.712,1225 2.732,1226 3.885,1227 2.716,1228 2.666,1229 2.771,1230 2.442,1231 2.425,1232 3.669,1233 2.423,1234 2.261,1235 2.349,1236 2.011,1237 1.985,1238 3.419,1239 1.962,1240 2.148,1241 2.238,1242 1.917,1243 1.701,1244 2.837,1245 1.749,1246 0.308,1247 0.234,1248 0.444,1249 0.274,1250 0.211,1251 4.622,1252 0.306,1253 3.509,1254 0.065,1255 6.664,1256 0.709,1257 4.105,1258 0.198,1259 3.172,1260 4.584,1261 0.98,1262 10.641,1263 2.969,1264 1.928,1265 1.89,1266 2.009,1267 2.091,1268 1.128,1269 2.069,1270 1.653,1271 1.592,1272 1.847,1273 1.857,1274 0.957,1275 1.857,1276 1.287,1277 1.236,1278 1.553,1279 1.589,1280 0.605,1281 1.556,1282 1.059,1283 0.959,1284 1.367,1285 1.367,1286 0.317,1287 1.406,1288 0.943,1289 0.853,1290 1.25,1291 1.191,1292 0.22,1293 1.219,1294 0.623,1295 0.525,1296 0.954,1297 0.902,1299 0.924,1300 0.459,1301 0.349,1302 0.818,1303 0.744,1305 0.786,1306 0.024,1308 0.368,1309 0.525,1311 0.472,1312 3.434,1314 4.779,1315 2.398,1316 6.315,1317 4.844,1318 7.934,1319 7.002,1320 9.598,1322 3.992,1326 5.191,1340 16.15,1341 41.218,1342 92.702,1343 106.702,1344 110.702,1345 110.702,1346 110.702,1347 16.341,1348 5.727,1349 51.38,1350 51.38,1351 11,1352 11.939,1353 3.585,1354 2.807,1355 21.283,1356 31,1357 24,1358 0.389,1359 103.113,1360 164.95,1361 243.355,1362 1582,1364 10.293,1365 0.735,1366 0.589,1367 10.293,1368 8.242,1369 6.592,1370 0.439,1371 0.298,1372 4.389,1373 6.285,1374 4.212,1375 3.554,1376 6.592,1377 4.471,1378 6.313,1379 0.287,1380 0.16,1381 6.313,1382 3.512,1383 5.272,1384 0.182,1385 0.089,1386 5.272,1387 2.57,1388 4.007,1389 0.111,1390 0.044,1391 4.007,1392 1.596,1393 3.028,1394 0.072,1395 0.024,1396 3.028,1397 1.007,1398 0.564,1399 41.616,1400 0.327,1401 13.772,1402 1.193,1403 74,1404 207.026,1405 82.126,1406 203.329,1407 277.42,1408 188,1409 88,1410 209.538,1411 96.683,1412 213.421,1413 308.67,1414 199,1415 4.569}
{0 CHEMBL1084774,1 1.18,2 17.971,3 9.095,4 82.712,5 147.832,6 5.945,7 0.459,8 4.379,9 4.526,10 3.753,11 3.948,12 5.23,13 3.866,14 4.973,15 5.185,16 4.027,17 4.353,18 5.73,19 4.221,20 5.305,21 5.593,22 4.075,23 4.478,24 5.962,25 4.307,26 5.28,27 5.569,28 3.99,29 4.436,30 5.932,31 4.255,32 5.26,33 5.547,34 3.919,35 4.436,36 5.88,37 4.243,38 5.285,39 5.578,40 3.819,41 4.436,42 5.868,43 4.215,44 5.282,45 5.595,46 3.687,47 4.368,48 5.822,49 4.123,50 5.181,51 5.503,52 3.572,53 4.243,54 5.705,55 3.998,56 0.097,57 1.072,58 19,59 7.892,60 11.639,61 11.501,62 0.183,63 1.785,64 33.392,65 13.468,66 21.243,67 19.845,68 0.282,69 2.261,70 44.928,71 17.126,72 31.105,73 25.75,74 0.324,75 2.206,76 43.986,77 16.399,78 31.372,79 24.768,80 0.271,81 2.143,82 42.843,83 16.743,84 26.563,85 24.922,86 0.239,87 2.14,88 43.286,89 17.868,90 25.279,91 26.128,92 0.228,93 2.059,94 42.51,95 17.678,96 24.799,97 25.805,98 0.211,99 1.84,100 38.256,101 15.729,102 22.215,103 23.048,105 46,106 0.182,107 0.427,108 0.563,109 0.702,110 0.774,111 0.816,112 3.559,113 1.123,114 -6.6,115 -6.42,116 -5.95,121 40.3,123 14,127 2,144 9,145 2,146 2,148 2,176 21,180 4,185 6,187 21,192 4,197 6,200 15,206 2,209 1,211 7,214 16,224 4,227 21,232 1,237 2,239 23,244 1,249 2,251 20,256 1,261 2,264 17,269 1,274 2,277 16,281 2416,282 24.037,283 24.037,284 24.037,285 24.037,286 24.037,287 21.998,288 19.688,289 15.475,290 24.215,291 18.403,292 18.403,293 18.403,294 18.403,295 18.403,296 15.335,297 24.908,298 7.515,299 18.7,300 5.087,301 3.508,302 2.626,303 1.729,304 1.26,305 0.987,306 4.267,312 1,313 1337,314 4.123,318 410.733,322 312.21,325 2.86,326 10.942,329 0.75,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.71,337 69.5,338 611,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.4,346 11.348,347 3.162,348 3.914,349 2.669,350 5.982,351 3.524,352 2.532,353 3.444,354 0.4,355 8.37,356 2.512,357 3.896,358 2.659,359 5.381,360 3.494,361 2.522,362 3.437,364 6.965,365 2.45,366 3.522,367 2.356,368 5.34,369 3.136,370 2.182,371 2.893,373 6.711,374 2.08,375 2.981,376 1.96,377 4.116,378 2.946,379 1.948,380 2.142,382 3.916,383 1.944,384 2.943,385 1.861,386 3.992,387 2.803,388 1.81,389 2.121,391 3.687,392 1.797,393 2.926,394 1.734,395 3.927,396 2.612,397 1.629,398 1.949,400 3.415,401 1.599,402 2.8,403 1.608,404 3.804,405 2.515,406 1.528,407 1.813,409 3.329,410 1.507,411 2.633,412 1.502,413 3.676,414 2.456,415 1.467,416 1.66,418 3.237,419 1.45,420 2.551,421 1.438,422 3.594,423 2.345,424 1.347,425 1.558,427 3.035,428 1.343,429 2.5,430 1.35,431 3.588,432 2.25,433 1.266,434 1.5,436 2.902,437 1.244,438 2.487,439 1.324,440 3.472,441 2.242,442 1.247,443 1.486,445 2.668,446 1.24,447 2.319,448 1.094,449 3.254,450 2,451 1,452 1.314,454 2.182,455 1,456 2.067,457 1,458 3.247,459 1.978,460 1,461 1.049,463 2.136,464 0.976,465 1.857,466 0.837,467 3,468 1.733,469 0.749,470 0.809,472 1.636,473 0.736,474 16.7,475 0.491,476 0.342,477 0.01,478 37,479 1.088,480 17,481 0.5,482 20,483 0.588,484 36.695,485 1.079,486 37.9,487 0.492,488 21.649,489 0.637,490 6.037,491 0.178,492 10.879,493 0.32,496 0.18,501 1.088,502 1.264,503 1.061,504 1.147,505 0.893,506 1.111,507 1.098,508 1.316,509 1.146,510 1.23,511 0.895,512 1.198,513 1.129,514 1.033,515 0.919,516 0.936,517 0.908,518 0.919,519 1.363,520 1,521 1.024,522 0.958,523 1.117,524 0.97,525 1.284,526 0.978,527 1.076,528 0.999,529 1.117,530 1.021,531 0.925,532 1.02,533 1.082,534 1.08,535 0.987,536 1.088,537 0.749,538 0.965,539 0.992,540 1.02,541 0.871,542 1.019,543 0.764,544 0.906,545 0.934,546 0.949,547 0.826,548 0.951,549 2.5,550 0.066,551 2,552 1.25,553 1.191,554 0.417,555 0.279,556 0.142,557 0.106,558 0.083,559 23555,560 40809,561 2.148,562 55.8,563 22,564 13,567 2,568 2,569 4,572 1.747,573 2.125,574 4.001,575 0.031,582 90.878,583 1.18,584 2.759,585 3.641,586 4.538,587 5.007,588 5.28,589 3.362,590 4.323,591 5.06,592 4.311,593 2418.47,594 8.798,595 44282.6,600 482.543,601 0.672,602 5.067,603 0.068,604 0.003,605 0.043,606 0.027,607 0.028,608 0.011,609 0.008,610 0.005,611 0.004,612 0.003,613 0.2,614 0.5,615 0.75,617 192.846,618 0.025,619 -0.018,620 0.051,621 0.025,622 0.159,623 0.037,624 -0.008,625 -0.186,626 -0.09,627 -0.146,628 0.11,629 -0.127,630 0.063,631 -0.025,632 0.086,633 0.04,634 0.147,635 0.06,637 0.023,638 -0.009,639 0.004,640 0.009,641 -0.002,642 -0.137,643 0.033,644 -0.074,645 -0.016,646 -0.132,647 -0.037,648 -0.093,649 -0.048,650 -0.108,651 -0.084,652 -0.137,653 -0.095,654 -0.021,655 -0.039,656 -0.042,657 -0.044,658 -0.07,659 -0.044,660 0.002,661 0.008,662 0.012,663 0.012,664 -0.028,665 0.013,666 0.516,667 1.96,668 0.588,669 47.239,670 0.974,671 1.127,672 5.368,673 28.819,674 0.64,675 3.638,676 3.85,677 4.094,678 4.344,679 4.585,680 4.595,681 4.7,682 4.779,683 4.82,684 4.673,685 10.771,686 0.579,687 457.77,688 3.638,689 5.118,690 5.932,691 6.765,692 7.605,693 8.458,694 9.315,695 10.181,696 11.05,697 11.926,698 3.9,703 2,708 1,714 2,715 9,716 1,720 4,722 17,734 2,741 77,743 17,744 2,745 37,747 80,748 31,749 15,750 3,751 9,756 4,757 7,767 4,770 14,772 15,773 16,793 43,794 3,795 2,796 3,802 3,808 0.5,822 1,829 4,833 2,859 2,868 34,876 16,877 2,901 16,902 13.2,903 7.861,904 5.586,907 3.033,908 1.386,909 0.981,910 10.425,911 10.89,912 3.839,913 4.331,914 4.892,915 5.471,916 6.048,917 6.271,918 6.622,919 6.947,920 7.23,921 7.04,922 1,923 47,924 12.667,926 5.158,927 0.026,929 7.265,931 25.918,933 21.596,936 1.765,937 60,941 482.615,942 141.154,943 52.807,948 141.154,949 482.615,950 52.807,952 39.695,953 85.286,954 52.807,955 16.173,957 482.615,959 482.615,960 193.961,964 435.531,965 47.084,968 44.596,969 96.558,970 52.807,972 482.615,973 52.807,974 141.154,977 482.615,978 55.868,979 85.286,980 36.022,981 16.786,982 482.615,983 52.807,984 141.154,986 0.544,987 0.308,988 0.175,989 0.098,990 18,991 6,992 0.188,993 15,994 2,995 1.2,996 4.985,997 279.191,998 0.2,999 20,1000 168.974,1005 24.89,1006 14.241,1007 7.916,1008 2.456,1009 52.807,1010 19.189,1011 4.96,1015 5.436,1017 36.022,1018 676.576,1019 45.5,1031 74.977,1032 86.799,1034 0.188,1035 0.44,1036 0.581,1037 0.724,1038 0.799,1039 0.843,1040 5.019,1041 1.528,1042 5.826,1043 3.415,1044 4.533,1045 5.017,1046 0.495,1047 6.541,1048 4.498,1049 6.136,1050 1.467,1051 7.303,1052 3.329,1053 3.611,1054 4.559,1056 7.286,1057 3.544,1058 7.387,1059 1.347,1060 8.899,1061 3.237,1062 5.994,1063 7.153,1064 0.097,1065 10.482,1066 5.92,1067 8.687,1068 1.266,1069 10.578,1070 3.035,1071 6.089,1072 7.727,1074 12.254,1075 5.979,1076 10.036,1077 1.247,1078 12.317,1079 2.902,1080 7.777,1081 9.692,1082 0.016,1083 14.925,1084 7.662,1085 11.422,1086 1,1087 14.099,1088 2.668,1089 8.417,1090 10.755,1092 17.087,1093 8.269,1094 12.838,1095 1,1096 15.912,1097 2.182,1098 9.788,1099 12.457,1100 0.003,1101 19.595,1102 9.631,1103 3.226,1104 0.749,1105 17.746,1106 2.136,1107 10.708,1108 13.757,1110 21.913,1111 10.523,1112 2.532,1113 11.348,1114 19.597,1115 1.636,1116 11.946,1117 15.347,1119 24.368,1120 11.747,1121 2.522,1122 8.37,1123 21.461,1124 4.564,1125 13.001,1126 16.762,1128 26.749,1129 12.777,1130 2.182,1131 6.965,1132 23.334,1133 3.444,1134 14.187,1135 18.306,1137 29.186,1138 13.947,1139 1.948,1140 6.711,1141 25.215,1142 3.437,1143 15.304,1144 19.775,1146 31.594,1147 15.041,1148 1.81,1149 3.916,1150 27.102,1151 2.893,1152 16.474,1153 21.301,1155 34.025,1156 16.193,1157 1.629,1158 3.687,1159 28.994,1160 2.142,1161 17.619,1162 22.796,1164 36.444,1165 17.316,1166 21982,1167 29087,1168 26,1169 49.245,1170 52.149,1171 52.459,1172 52.91,1173 52.272,1174 52.255,1175 64.944,1176 1.6,1177 133.982,1178 51.389,1179 5.617,1180 5.361,1181 6.788,1182 5.247,1183 5.226,1184 7.564,1185 0.8,1186 18.879,1187 5.162,1189 1.409,1190 1.418,1191 1.43,1192 1.413,1193 1.412,1194 1.755,1195 0.043,1196 3.621,1197 1.389,1198 4.115,1199 4.147,1200 4.074,1201 4.042,1202 4.973,1203 4.046,1204 3.915,1205 3.959,1206 3.835,1207 3.833,1208 4.781,1209 3.828,1210 3.808,1211 3.868,1212 3.651,1213 3.697,1214 4.413,1215 3.677,1216 3.732,1217 3.781,1218 3.616,1219 3.649,1220 4.274,1221 3.635,1222 3.693,1223 3.761,1224 3.526,1225 3.564,1226 4.218,1227 3.545,1228 3.545,1229 3.622,1230 3.373,1231 3.392,1232 4.117,1233 3.375,1234 3.373,1235 3.456,1236 3.208,1237 3.209,1238 3.988,1239 3.199,1240 3.241,1241 3.313,1242 3.084,1243 3.102,1244 3.944,1245 3.086,1246 0.125,1247 0.091,1248 0.185,1249 0.114,1250 0.087,1251 4.64,1252 0.123,1253 3.361,1254 0.011,1255 6.829,1256 0.307,1257 4.207,1258 0.085,1259 3.226,1260 4.564,1261 0.4,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.444,1269 2.163,1270 1.896,1271 1.861,1272 2.075,1273 2.013,1274 1.43,1275 2.031,1276 1.821,1277 1.762,1278 2.025,1279 1.967,1280 1.335,1281 1.996,1282 1.754,1283 1.709,1284 1.967,1285 1.88,1286 1.186,1287 1.914,1288 1.716,1289 1.652,1290 1.948,1291 1.872,1292 1.139,1293 1.901,1294 1.559,1295 1.487,1296 1.834,1297 1.75,1298 1.061,1299 1.783,1300 1.375,1301 1.299,1302 1.667,1303 1.593,1304 0.951,1305 1.622,1306 1.25,1307 1.186,1308 1.506,1309 1.439,1310 0.764,1311 1.467,1312 4.317,1314 5.557,1316 7.004,1318 8.566,1320 10.202,1328 20.637,1329 7.322,1340 44.6,1341 90.878,1342 212.464,1343 280.364,1344 349.423,1345 385.523,1346 406.543,1347 53.099,1348 7.857,1349 36.95,1350 36.95,1351 24,1352 12.468,1353 4.17,1354 3.248,1355 57.887,1356 225,1357 216,1358 0.119,1359 275.523,1360 474.6,1361 664.037,1362 39086,1364 23.263,1365 0.684,1366 0.616,1367 23.263,1368 20.957,1369 16.916,1370 0.457,1371 0.374,1372 13.794,1373 16.715,1374 13.523,1375 11.312,1376 16.916,1377 13.849,1378 13.64,1379 0.297,1380 0.215,1381 13.64,1382 9.891,1383 11.266,1384 0.191,1385 0.122,1386 11.266,1387 7.178,1388 9.376,1389 0.123,1390 0.069,1391 9.376,1392 5.241,1393 7.797,1394 0.08,1395 0.04,1396 7.797,1397 3.849,1398 0.203,1399 102.811,1400 0.196,1401 33.37,1402 0.285,1403 166,1404 306.311,1405 171.495,1406 312.095,1407 447.78,1408 298,1409 188,1410 341.197,1411 193.995,1412 350.446,1413 511.21,1414 335,1415 6.583}
{0 CHEMBL1084775,1 1.262,2 14.879,3 7,4 48.999,5 138.748,6 6.547,7 0.595,8 4.271,9 4.408,10 3.743,11 3.864,12 5.206,13 3.804,14 4.841,15 5.035,16 4.061,17 4.275,18 5.695,19 4.178,20 5.155,21 5.418,22 4.142,23 4.408,24 5.923,25 4.281,26 5.139,27 5.4,28 4.055,29 4.372,30 5.914,31 4.233,32 5.136,33 5.399,34 3.933,35 4.369,36 5.851,37 4.204,38 5.161,39 5.44,40 3.784,41 4.346,42 5.808,43 4.143,44 5.141,45 5.443,46 3.64,47 4.256,48 5.737,49 4.031,50 5.017,51 5.327,52 3.519,53 4.116,54 5.609,55 3.892,56 0.079,57 0.963,58 15.544,59 6.457,60 10.564,61 9.255,62 0.16,63 1.617,64 28.104,65 11.176,66 19.775,67 16.275,68 0.265,69 2.078,70 39.371,71 14.615,72 31.366,73 21.786,74 0.345,75 2.06,76 38.962,77 14.066,78 34.746,79 21.006,80 0.276,81 2.004,82 38.598,83 14.624,84 29.208,85 21.626,86 0.244,87 1.976,88 39.424,89 15.833,90 27.133,91 23.127,92 0.229,93 1.872,94 38.752,95 15.675,96 26.465,97 22.922,98 0.239,99 1.648,100 34.378,101 13.742,102 24.79,103 20.122,105 49,106 0.199,107 0.495,108 0.652,109 0.786,110 0.837,111 0.87,112 3.531,113 1.023,114 -5.26,115 -5.15,116 -4.81,121 43.3,123 9,127 2,144 9,145 3,146 2,147 1,148 3,176 16,180 7,185 6,187 17,192 6,197 5,200 11,206 3,209 2,211 8,214 13,224 5,227 16,232 2,237 2,239 19,244 2,251 18,256 2,260 1,264 16,269 2,277 12,281 1926,282 23.363,283 23.363,284 23.363,285 23.363,286 23.363,287 20.789,288 19.688,289 14.513,290 23.6,291 18.368,292 18.368,293 18.368,294 18.368,295 18.368,296 14.464,297 24.908,298 6.948,299 18.757,300 4.804,301 2.918,302 1.919,303 1.067,304 0.746,305 0.537,306 4.251,312 1,313 1103,314 3.606,318 425.899,322 432.193,325 2.101,326 13.594,329 1,330 0.83,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.85,337 68,338 491,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.4,346 11.348,347 3.162,348 4.493,349 3.076,350 6.505,351 4.01,352 3.03,353 4.43,354 0.4,355 10.194,356 2.969,357 3.914,358 2.669,359 5.982,360 3.524,361 2.532,362 3.437,364 8.37,365 2.512,366 3.522,367 2.356,368 5.381,369 3.136,370 2.182,371 2.908,373 6.711,374 2.081,375 3.514,376 2.267,377 5.203,378 3.106,379 2.144,380 2.893,382 6.251,383 2.061,384 3.118,385 1.902,386 4.179,387 2.858,388 1.864,389 2.427,391 3.874,392 1.853,393 2.941,394 1.715,395 4.116,396 2.586,397 1.618,398 2.142,400 3.765,401 1.563,402 2.893,403 1.618,404 3.983,405 2.557,406 1.579,407 1.918,409 3.412,410 1.543,411 2.772,412 1.548,413 3.846,414 2.5,415 1.509,416 1.889,418 3.329,419 1.494,420 2.657,421 1.445,422 3.65,423 2.345,424 1.347,425 1.685,427 3.146,428 1.343,429 2.564,430 1.35,431 3.594,432 2.27,433 1.279,434 1.577,436 2.902,437 1.266,438 2.487,439 1.332,440 3.59,441 2.242,442 1.247,443 1.487,445 2.843,446 1.24,447 2.382,448 1.258,449 3.497,450 2.153,451 1.187,452 1.354,454 2.589,455 1.144,456 2.161,457 1.019,458 3.32,459 1.906,460 0.932,461 1.122,463 2.137,464 0.906,465 1.905,466 0.806,467 3.095,468 1.714,469 0.733,470 0.84,472 1.658,473 0.718,474 16.1,475 0.488,476 0.445,477 0.013,478 41.5,479 1.258,480 21,481 0.636,482 20.5,483 0.621,484 31.089,485 0.942,486 34.9,487 0.521,488 26.685,489 0.809,490 7.34,491 0.222,492 9.059,493 0.275,496 0.248,501 0.995,502 1.21,503 0.925,504 1.046,505 0.818,506 0.992,507 1.06,508 1.249,509 1.031,510 1.128,511 0.866,512 1.086,513 1.113,514 1.045,515 0.879,516 0.909,517 0.869,518 0.883,519 1.333,520 1.011,521 1.057,522 0.977,523 1.1,524 0.993,525 1.299,526 1.009,527 1.15,528 1.052,529 1.178,530 1.083,531 0.94,532 1.011,533 1.132,534 1.115,535 1.028,536 1.133,537 0.744,538 0.946,539 1.013,540 1.038,541 0.886,542 1.044,543 0.728,544 0.847,545 0.958,546 0.954,547 0.853,548 0.969,549 3,550 0.07,551 2.889,552 1.75,553 1.516,554 0.507,555 0.34,556 0.186,557 0.139,558 0.108,559 20371,560 39731,561 2.207,562 50.7,563 12,564 13,566 1,567 2,568 2,569 4,572 1.743,573 2.176,574 3.747,575 0.072,582 84.573,583 1.262,584 3.148,585 4.147,586 4.999,587 5.32,588 5.529,589 3.032,590 4.438,591 5.025,592 4.024,593 2124.43,594 8.737,595 35803.4,600 406.428,601 0.799,602 5.02,603 0.081,604 0.003,605 0.059,606 0.034,607 0.033,608 0.013,609 0.01,610 0.007,611 0.006,612 0.005,613 0.249,614 0.33,615 0.88,617 181.543,618 0.011,619 -0.039,620 0.062,621 0.025,622 0.129,623 0.044,624 -0.015,625 -0.153,626 -0.042,627 -0.1,628 0.094,629 -0.078,630 0.044,631 -0.029,632 0.12,633 0.065,634 0.164,635 0.092,636 -0.004,637 0.031,638 -0.047,639 -0.019,640 0.008,641 -0.033,642 -0.195,643 0.004,644 -0.158,645 -0.074,646 -0.215,647 -0.107,648 -0.122,649 -0.059,650 -0.161,651 -0.121,652 -0.193,653 -0.139,654 -0.023,655 -0.04,656 -0.048,657 -0.049,658 -0.085,659 -0.05,660 0.048,661 0.057,662 0.012,663 0.026,664 -0.029,665 0.018,666 0.613,667 1.952,668 0.727,669 35.041,670 0.98,671 1.123,672 4.028,673 16.224,674 0.663,675 3.638,676 3.912,677 4.22,678 4.511,679 4.771,680 4.787,681 4.89,682 4.963,683 5.004,684 4.812,685 9.193,686 0.612,687 438.67,688 3.638,689 5.153,690 6.004,691 6.87,692 7.741,693 8.62,694 9.5,695 10.384,696 11.269,697 12.157,698 6,703 2,708 2,714 4,715 10,716 2,720 4,722 22,734 2,741 67,743 22,744 2,745 37,747 71,748 29,749 18,750 4,751 8,756 5,757 9,767 4,770 9,772 18,773 11,793 34,794 4,795 2,796 4,802 4,808 0.4,822 2,829 5,833 3,859 2,868 33,876 11,877 2,901 15.167,902 11.733,903 7.417,904 4.661,907 4.463,908 1.539,909 1.022,910 7.254,911 12.736,912 3.892,913 4.489,914 5.142,915 5.777,916 6.379,917 6.647,918 7.01,919 7.335,920 7.627,921 7.292,922 1,923 52,924 12.247,926 5.135,927 0.026,929 7.343,931 24.669,933 20.866,936 1.843,937 60.833,941 376.675,942 142.246,943 69.593,948 142.246,949 376.675,950 69.593,952 27.022,953 85.286,954 81.364,955 29.937,957 364.904,959 376.675,960 211.838,964 329.591,965 47.084,968 43.115,969 99.131,970 69.593,972 376.675,973 69.593,974 142.246,977 376.675,978 47.912,979 94.334,980 36.022,981 33.571,982 376.675,983 69.593,984 142.246,986 0.559,987 0.333,988 0.196,989 0.111,990 23,991 8,992 0.141,993 10,994 3,995 1.25,996 4.731,997 292.466,998 0.25,999 24,1000 166.465,1005 22.01,1006 10.876,1007 5.239,1008 4.679,1009 69.593,1010 20.897,1011 9.393,1015 5.327,1017 36.022,1018 588.514,1019 48,1031 65.661,1032 75.221,1034 0.208,1035 0.519,1036 0.684,1037 0.824,1038 0.877,1039 0.911,1040 5.097,1041 1.579,1042 5.938,1043 3.765,1044 4.595,1045 5.176,1046 0.495,1047 6.727,1048 4.553,1049 6.27,1050 1.509,1051 7.467,1052 3.412,1053 3.892,1054 4.913,1056 7.609,1057 3.829,1058 7.563,1059 1.347,1060 9.111,1061 3.329,1062 6.138,1063 7.443,1064 0.097,1065 10.784,1066 6.054,1067 8.904,1068 1.279,1069 10.831,1070 3.146,1071 6.399,1072 8.141,1074 12.596,1075 6.294,1076 10.29,1077 1.247,1078 12.602,1079 2.902,1080 8.003,1081 10.073,1082 0.016,1083 15.254,1084 7.881,1085 11.707,1086 1.187,1087 14.407,1088 2.843,1089 8.744,1090 11.212,1092 17.416,1093 8.601,1094 13.149,1095 0.932,1096 16.236,1097 2.589,1098 10.074,1099 12.897,1100 0.003,1101 19.907,1102 9.914,1103 3.226,1104 0.733,1105 18.082,1106 2.137,1107 11.042,1108 14.238,1110 22.209,1111 10.862,1112 3.03,1113 11.348,1114 19.939,1115 1.658,1116 12.259,1117 15.819,1119 24.644,1120 12.061,1121 2.532,1122 10.194,1123 21.806,1124 4.564,1125 13.331,1126 17.251,1128 27.005,1129 13.111,1130 2.182,1131 8.37,1132 23.679,1133 4.43,1134 14.505,1135 18.788,1137 29.422,1138 14.266,1139 2.144,1140 6.711,1141 25.558,1142 3.437,1143 15.622,1144 20.261,1146 31.81,1147 15.361,1148 1.864,1149 6.251,1150 27.442,1151 2.908,1152 16.781,1153 21.78,1155 34.223,1156 16.501,1157 1.618,1158 3.874,1159 29.329,1160 2.893,1161 17.918,1162 23.272,1164 36.625,1165 17.617,1166 18481,1167 25959,1168 26.118,1169 44.444,1170 53.643,1171 54.121,1172 54.663,1173 53.828,1174 53.836,1175 70.502,1176 1.6,1177 147.319,1178 52.685,1179 5.601,1180 5.361,1181 6.738,1182 5.247,1183 5.226,1184 7.564,1185 0.8,1186 18.879,1187 5.162,1189 1.45,1190 1.463,1191 1.477,1192 1.455,1193 1.455,1194 1.905,1195 0.043,1196 3.982,1197 1.424,1198 4.12,1199 4.152,1200 4.079,1201 4.047,1202 5.008,1203 4.051,1204 4.06,1205 4.091,1206 4.021,1207 3.988,1208 4.965,1209 3.993,1210 3.767,1211 3.833,1212 3.622,1213 3.654,1214 4.413,1215 3.64,1216 3.732,1217 3.781,1218 3.601,1219 3.637,1220 4.404,1221 3.619,1222 3.573,1223 3.649,1224 3.43,1225 3.419,1226 4.282,1227 3.412,1228 3.444,1229 3.503,1230 3.322,1231 3.324,1232 4.222,1233 3.315,1234 3.302,1235 3.376,1236 3.16,1237 3.161,1238 4.02,1239 3.151,1240 3.176,1241 3.252,1242 3.044,1243 2.994,1244 3.968,1245 2.994,1246 0.125,1247 0.091,1248 0.185,1249 0.114,1250 0.087,1251 4.64,1252 0.123,1253 3.361,1254 0.011,1255 6.829,1256 0.307,1257 4.207,1258 0.085,1259 3.226,1260 4.564,1261 0.4,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.437,1269 2.163,1270 2.033,1271 2.008,1272 2.114,1273 2.126,1274 1.388,1275 2.125,1276 1.778,1277 1.716,1278 2.025,1279 1.941,1280 1.226,1281 1.973,1282 1.754,1283 1.708,1284 1.949,1285 1.872,1286 1.162,1287 1.902,1288 1.572,1289 1.502,1290 1.832,1291 1.773,1292 1.116,1293 1.797,1294 1.446,1295 1.393,1296 1.641,1297 1.602,1298 0.821,1299 1.621,1300 1.297,1301 1.234,1302 1.546,1303 1.497,1304 0.752,1305 1.518,1306 1.163,1307 1.086,1308 1.453,1309 1.364,1310 0.652,1311 1.384,1312 4.317,1314 5.602,1316 7.107,1318 8.727,1320 10.41,1328 13.141,1329 7.397,1340 40.988,1341 84.573,1342 210.92,1343 277.841,1344 334.918,1345 356.428,1346 370.428,1347 43.607,1348 8.273,1349 49.84,1350 49.84,1351 30,1352 12.689,1353 4.524,1354 3.585,1355 48.469,1356 190,1357 145,1358 0.12,1359 249.885,1360 422.46,1361 601.478,1362 64228,1364 22.296,1365 0.676,1366 0.589,1367 22.296,1368 19.446,1369 16.399,1370 0.443,1371 0.341,1372 12.548,1373 16.13,1374 12.309,1375 10.228,1376 16.399,1377 12.62,1378 13.768,1379 0.281,1380 0.186,1381 13.768,1382 9.133,1383 11.977,1384 0.179,1385 0.101,1386 11.977,1387 6.789,1388 10.42,1389 0.116,1390 0.056,1391 10.42,1392 5.041,1393 8.891,1394 0.076,1395 0.032,1396 8.891,1397 3.723,1398 0.201,1399 100.164,1400 0.196,1401 31.794,1402 0.3,1403 172,1404 355.956,1405 179.216,1406 360.577,1407 520.7,1408 344,1409 202,1410 402.662,1411 209.993,1412 412.445,1413 607.78,1414 394,1415 7.996}
{0 CHEMBL1084776,1 1.229,2 7.727,3 5.573,4 31.057,5 90.565,6 6.867,7 0.68,8 3.82,9 3.945,10 3.345,11 3.465,12 4.804,13 3.409,14 4.361,15 4.535,16 3.701,17 3.873,18 5.272,19 3.791,20 4.64,21 4.864,22 3.77,23 3.997,24 5.501,25 3.89,26 4.651,27 4.899,28 3.675,29 3.935,30 5.48,31 3.816,32 4.564,33 4.796,34 3.638,35 3.933,36 5.394,37 3.82,38 4.567,39 4.774,40 3.622,41 3.987,42 5.398,43 3.849,44 4.655,45 4.903,46 3.409,47 3.932,48 5.43,49 3.746,50 4.568,51 4.879,52 2.894,53 3.647,54 5.202,55 3.386,56 0.044,57 0.567,58 9.127,59 3.973,60 6.932,61 5.552,62 0.078,63 0.962,64 16.38,65 7.002,66 11.932,67 9.891,68 0.145,69 1.278,70 22.694,71 8.858,72 19.851,73 12.741,74 0.203,75 1.302,76 23.483,77 8.696,78 22.689,79 12.606,80 0.168,81 1.185,82 21.228,83 8.023,84 18.643,85 11.551,86 0.094,87 1.137,88 20.58,89 9.142,90 15.805,91 12.896,92 0.124,93 1.227,94 23.248,95 9.92,96 20.943,97 14.134,98 0.113,99 1.076,100 22.244,101 9.504,102 19.652,103 13.669,104 2,105 35,106 0.214,107 0.549,108 0.717,109 0.825,110 0.853,111 0.853,112 3.149,113 0.966,114 -5.18,115 -5.07,116 -4.74,121 47.6,122 1,123 4,144 8,145 3,146 2,148 2,176 13,180 4,185 4,187 15,192 4,197 4,200 9,206 3,209 1,211 5,214 11,224 2,227 16,232 2,237 1,239 22,244 2,251 18,256 1,264 11,277 4,281 640,282 15.292,283 15.292,284 15.292,285 15.292,286 15.292,287 13.229,288 15.789,289 9.183,290 15.397,291 12.403,292 12.403,293 12.403,294 12.403,295 12.403,296 9.291,297 18.878,298 4.426,299 12.596,300 4.164,301 2.239,302 1.274,303 0.655,304 0.494,305 0.494,306 3.853,311 1,312 1,313 377,314 2.121,318 173.862,322 135.452,325 1.05,326 8.471,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 45,338 170,339 4.656,340 3.377,341 6.84,342 4.223,343 3.243,344 4.585,345 0.4,346 11.401,347 3.177,348 4.001,349 2.762,350 6.004,351 3.607,352 2.615,353 3.557,355 8.477,356 2.595,357 3.889,358 2.678,359 5.531,360 3.494,361 2.522,362 3.424,364 7.386,365 2.45,366 3.55,367 2.327,368 5.217,369 3.159,370 2.17,371 2.941,373 6.417,374 2.147,375 3.354,376 2.119,377 4.893,378 2.924,379 1.953,380 2.692,382 5.546,383 1.89,384 2.899,385 1.578,386 4.12,387 2.466,388 1.479,389 2.066,391 3.399,392 1.458,393 2.63,394 1.432,395 3.859,396 2.409,397 1.414,398 1.673,400 3.22,401 1.406,402 2.5,403 1.418,404 3.613,405 2.249,406 1.256,407 1.5,409 3.013,410 1.247,411 2.488,412 1.024,413 3.488,414 2,415 1,416 1.488,418 2.198,419 1,420 2.037,421 1,422 3.247,423 1.848,424 0.864,425 0.986,427 2.136,428 0.849,429 1.455,430 0.255,431 2.976,432 1.089,433 0.135,434 0.171,436 0.36,437 0.128,438 1.149,439 0.018,440 2.634,441 0.814,442 -0.173,443 -0.217,445 -0.422,446 -0.171,447 0.944,448 -0.265,449 2.529,450 0.567,451 -0.407,452 -0.517,454 -1.049,455 -0.395,456 0.649,457 -0.522,458 2.338,459 0.298,460 -0.684,461 -0.828,463 -1.725,464 -0.67,465 0.5,466 -0.726,467 2,468 0.106,469 -0.886,470 -1.025,472 -2.16,473 -0.879,474 10.8,475 0.491,476 0.448,477 0.02,478 30,479 1.364,480 16.5,481 0.75,482 13.5,483 0.614,484 17.072,485 0.776,486 22.2,487 0.529,488 18.395,489 0.836,490 5.537,491 0.252,492 5.272,493 0.24,494 0.046,496 0.324,501 0.958,502 1.066,503 0.859,504 0.937,505 0.902,506 0.901,507 0.84,508 1.184,509 0.888,510 1.034,511 0.716,512 0.977,513 1.3,514 1.173,515 0.975,516 1.009,517 1.109,518 0.979,519 1.567,520 1.01,521 1.017,522 0.916,523 1.198,524 0.93,525 1.793,526 0.808,527 1.08,528 0.828,529 1.389,530 0.896,531 0.728,532 1.098,533 1.101,534 1.166,535 0.844,536 1.158,537 0.927,538 1.103,539 1.21,540 1.211,541 1.147,542 1.224,543 0.592,544 0.962,545 1.031,546 1.077,547 0.908,548 1.079,549 3.5,550 0.012,551 2,552 1.313,553 1.462,554 0.667,555 0.363,556 0.214,557 0.134,558 0.03,559 4743,560 9147,561 2.205,562 47.6,563 9,564 8,567 1,568 2,572 1.653,573 2.129,574 2.944,575 -0.444,582 51.6,583 1.229,584 3.153,585 4.118,586 4.737,587 4.898,588 4.898,589 2.368,590 3.88,591 4.431,592 3.045,593 703.374,594 7.654,595 7501.1,600 226.477,601 1.143,602 4.418,603 0.14,604 0.012,605 0.057,606 0.036,607 0.046,608 0.021,609 0.012,610 0.009,611 0.011,612 0.007,613 0.352,614 0.83,615 1,616 0.405,617 98.338,618 0.014,620 0.063,621 0.042,622 0.018,623 0.053,624 0.113,625 -0.161,626 0.054,627 -0.056,628 0.181,629 -0.014,630 0.017,631 -0.135,632 0.007,633 -0.061,634 -0.006,635 -0.033,636 -0.001,637 0.049,638 -0.012,639 0.014,640 -0.021,641 0.003,642 -0.337,643 0.256,644 -0.091,645 0.113,646 -0.258,647 0.042,648 -0.074,649 -0.136,650 -0.165,651 -0.168,652 -0.037,653 -0.171,654 -0.154,655 -0.155,656 -0.252,657 -0.224,658 -0.2,659 -0.24,660 0.018,661 -0.081,662 -0.047,663 -0.075,664 -0.013,665 -0.067,666 0.556,667 1.939,668 0.909,669 14.909,670 0.98,671 1.113,672 3.946,673 15.574,674 0.687,675 3.258,676 3.584,677 3.892,678 4.22,679 4.543,680 4.644,681 4.796,682 4.963,683 5.03,684 4.913,685 4.761,686 0.638,687 288.42,688 3.258,689 4.796,690 5.659,691 6.55,692 7.437,693 8.338,694 9.236,695 10.143,696 11.045,697 11.956,698 4.8,706 1,708 1,714 2,715 8,716 1,720 5,722 17,734 1,741 42,743 17,744 2,745 25,747 45,748 20,749 15,750 4,751 8,756 4,757 7,763 1,767 4,770 4,772 15,773 5,793 20,794 2,795 1,796 2,802 2,808 0.5,822 1,829 4,833 2,859 2,864 1,868 22,876 4,877 1,901 10.333,902 7.867,903 4.778,904 2.781,907 3.373,908 1.459,909 1.047,910 3.399,911 10.728,912 3.541,913 4.19,914 4.826,915 5.476,916 6.125,917 6.471,918 6.893,919 7.352,920 7.716,921 7.804,922 1,923 36,924 8.142,926 3.464,927 0.026,929 7.371,931 16.262,933 13.873,936 1.871,937 41.167,938 0.001,941 223.651,942 114.132,943 34.796,948 114.132,949 223.651,950 34.796,951 8.825,952 10.138,953 75.81,954 16.786,955 37.369,957 223.651,959 223.651,960 148.928,964 223.651,968 41.875,969 90.268,970 16.786,972 223.651,973 34.796,974 114.132,977 223.651,978 29.497,979 84.635,980 18.011,981 16.786,982 223.651,983 34.796,984 114.132,986 0.577,987 0.337,988 0.196,989 0.119,990 19,991 7,992 0.044,993 2,994 2,995 1.2,996 3.434,997 185.2,998 0.2,999 20,1000 94.107,1005 13.479,1006 5.547,1007 2.543,1008 2.342,1009 34.796,1010 17.012,1011 4.939,1015 6.352,1017 18.011,1018 372.579,1019 33.5,1031 41.156,1032 46.733,1034 0.228,1035 0.585,1036 0.764,1037 0.879,1038 0.908,1039 0.908,1040 4.764,1041 1.256,1042 5.631,1043 3.22,1044 4.263,1045 4.875,1046 0.278,1047 6.454,1048 4.229,1049 5.975,1050 1,1051 7.185,1052 3.013,1053 3.761,1054 4.691,1056 7.357,1057 3.704,1058 7.288,1059 0.864,1060 8.843,1061 2.198,1062 5.849,1063 7.149,1064 0.05,1065 10.517,1066 5.777,1067 8.641,1068 0.135,1069 10.565,1070 2.136,1071 6.196,1072 7.819,1074 12.3,1075 6.098,1076 10.029,1077 -0.173,1078 12.332,1079 0.36,1080 7.734,1081 9.735,1082 0.008,1083 14.977,1084 7.623,1085 11.442,1086 -0.407,1087 14.129,1088 -0.422,1089 8.503,1090 10.828,1092 17.132,1093 8.365,1094 12.876,1095 -0.684,1096 15.949,1097 -1.049,1098 9.808,1099 12.513,1100 0.001,1101 19.648,1102 9.656,1103 3.243,1104 -0.886,1105 17.786,1106 -1.725,1107 10.787,1108 13.823,1110 21.963,1111 10.609,1112 2.615,1113 11.401,1114 19.638,1115 -2.16,1116 11.999,1117 15.408,1119 24.423,1120 11.804,1121 2.522,1122 8.477,1123 21.5,1124 4.585,1125 13.08,1126 16.828,1128 26.805,1129 12.861,1130 2.17,1131 7.386,1132 23.373,1133 3.557,1134 14.259,1135 18.372,1137 29.247,1138 14.021,1139 1.953,1140 6.417,1141 25.253,1142 3.424,1143 15.388,1144 19.845,1146 31.657,1147 15.127,1148 1.479,1149 5.546,1150 27.139,1151 2.941,1152 16.557,1153 21.373,1155 34.093,1156 16.276,1157 1.414,1158 3.399,1159 29.031,1160 2.692,1161 17.709,1162 22.871,1164 36.516,1165 17.406,1166 4461,1167 6291,1168 17.394,1169 28.864,1170 37.436,1171 37.441,1172 37.975,1173 37.288,1174 37.303,1175 50.163,1176 0.8,1177 107.105,1178 36.695,1179 5.602,1180 5.377,1181 6.642,1182 5.264,1183 5.243,1184 7.585,1185 0.8,1186 18.939,1187 5.177,1188 5.807,1189 1.497,1190 1.498,1191 1.519,1192 1.492,1193 1.492,1194 2.007,1195 0.032,1196 4.284,1197 1.468,1198 4.124,1199 4.154,1200 4.087,1201 4.055,1202 4.975,1203 4.059,1204 3.872,1205 3.906,1206 3.801,1207 3.807,1208 4.757,1209 3.801,1210 3.752,1211 3.799,1212 3.64,1213 3.671,1214 4.412,1215 3.658,1216 3.371,1217 3.435,1218 3.242,1219 3.251,1220 4.099,1221 3.241,1222 3.147,1223 3.226,1224 3.029,1225 2.975,1226 3.991,1227 2.975,1228 3.002,1229 3.089,1230 2.82,1231 2.846,1232 3.767,1233 2.826,1234 2.955,1235 3.041,1236 2.761,1237 2.787,1238 3.674,1239 2.776,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.488,1245 2.715,1246 0.186,1247 0.135,1248 0.274,1249 0.169,1250 0.13,1251 4.656,1252 0.183,1253 3.377,1254 0.016,1255 6.84,1256 0.456,1257 4.223,1258 0.127,1259 3.243,1260 4.585,1261 0.4,1262 11.401,1263 3.177,1264 2.082,1265 2.057,1266 2.164,1267 2.169,1268 1.436,1269 2.169,1270 1.873,1271 1.842,1272 2.001,1273 1.964,1274 1.188,1275 1.979,1276 1.773,1277 1.729,1278 1.968,1279 1.89,1280 1.057,1281 1.92,1282 1.374,1283 1.317,1284 1.611,1285 1.543,1286 0.786,1287 1.57,1288 1.14,1289 1.064,1290 1.456,1291 1.358,1292 0.724,1293 1.391,1294 1.024,1295 0.946,1296 1.323,1297 1.241,1298 0.466,1299 1.276,1300 0.949,1301 0.875,1302 1.191,1303 1.177,1304 0.258,1305 1.193,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 3.932,1314 5.252,1316 6.792,1318 8.437,1320 10.139,1322 2.13,1328 4.738,1329 3.655,1340 26.784,1341 51.6,1342 132.424,1343 172.968,1344 198.968,1345 205.722,1346 205.722,1347 23.291,1348 7.354,1349 24.92,1350 24.92,1351 24,1352 12.472,1353 4.17,1354 3.248,1355 29.597,1356 60,1357 66,1358 0.239,1359 163.213,1360 273.3,1361 390,1362 14797,1364 14.941,1365 0.679,1366 0.586,1367 14.941,1368 12.894,1369 10.81,1370 0.432,1371 0.322,1372 8.021,1373 10.687,1374 7.786,1375 6.482,1376 10.81,1377 8.053,1378 9.69,1379 0.277,1380 0.175,1381 9.69,1382 6.131,1383 8.307,1384 0.173,1385 0.093,1386 8.307,1387 4.462,1388 7.313,1389 0.109,1390 0.05,1391 7.313,1392 3.344,1393 6.455,1394 0.069,1395 0.028,1396 6.455,1397 2.571,1398 0.355,1399 65.674,1400 0.24,1401 21.098,1402 0.717,1403 120,1404 247.978,1405 124.108,1406 254.761,1407 369.95,1408 242,1409 143,1410 290.07,1411 147.663,1412 300.036,1413 441.45,1414 285,1415 6.125}
{0 CHEMBL1084777,1 1.383,2 7.727,3 5.751,4 33.075,5 90.329,6 7.919,7 0.68,8 3.763,9 3.875,10 3.403,11 3.436,12 4.784,13 3.386,14 4.296,15 4.449,16 3.787,17 3.85,18 5.274,19 3.772,20 4.595,21 4.812,22 3.853,23 3.966,24 5.501,25 3.862,26 4.549,27 4.776,28 3.768,29 3.882,30 5.459,31 3.775,32 4.475,33 4.688,34 3.722,35 3.897,36 5.347,37 3.788,38 4.515,39 4.716,40 3.763,41 3.956,42 5.407,43 3.82,44 4.582,45 4.819,46 3.578,47 3.892,48 5.427,49 3.702,50 4.402,51 4.688,52 3.168,53 3.547,54 5.186,55 3.293,56 0.028,57 0.513,58 7.22,59 3.408,60 5.036,61 4.636,62 0.049,63 0.87,64 13.831,65 6.195,66 10.808,67 8.48,68 0.153,69 1.183,70 23.495,71 8.564,72 21.078,73 11.681,74 0.24,75 1.161,76 22.217,77 7.756,78 24.474,79 10.637,80 0.147,81 1.058,82 18.86,83 7.374,84 15.897,85 10.13,86 0.125,87 1.036,88 19.913,89 8.448,90 16.503,91 11.687,92 0.138,93 1.071,94 25.855,95 9.7,96 23.41,97 13.247,98 0.16,99 0.863,100 25.744,101 8.62,102 25.682,103 11.727,104 2,105 35,106 0.244,107 0.581,108 0.713,109 0.831,110 0.862,111 0.862,112 3.149,113 0.974,114 -5.44,115 -5.32,116 -4.97,121 48.7,123 4,144 8,145 2,146 3,148 2,176 10,180 4,185 4,187 14,192 3,197 4,200 8,206 3,209 1,211 5,214 11,224 1,227 14,232 2,237 1,239 20,244 2,251 15,256 1,264 9,277 3,281 640,282 15.292,283 15.292,284 15.292,285 15.292,286 15.292,287 13.229,288 14.965,289 9.183,290 15.533,291 12.403,292 12.403,293 12.403,294 12.403,295 12.403,296 9.291,297 18.049,298 4.426,299 12.864,300 3.902,301 2,302 1.25,303 0.583,304 0.41,305 0.41,306 3.853,308 1,312 1,313 377,314 2.121,318 173.862,322 135.452,325 1.05,326 10.813,329 0.75,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.86,337 45.333,338 170,339 4.656,340 3.383,341 6.84,342 4.221,343 3.243,344 4.585,345 0.4,346 11.401,347 3.171,348 4.001,349 2.945,350 6.004,351 3.582,352 2.615,353 3.557,355 8.477,356 2.533,357 3.889,358 2.693,359 5.531,360 3.493,361 2.522,362 3.424,364 7.386,365 2.447,366 3.55,367 2.471,368 5.217,369 3.111,370 2.17,371 2.941,373 6.417,374 2.029,375 3.354,376 2.168,377 4.893,378 2.866,379 1.953,380 2.692,382 5.546,383 1.702,384 2.899,385 1.583,386 4.12,387 2.464,388 1.479,389 2.066,391 3.399,392 1.451,393 2.63,394 1.434,395 3.859,396 2.408,397 1.414,398 1.673,400 3.22,401 1.401,402 2.5,403 1.42,404 3.613,405 2.249,406 1.256,407 1.5,409 3.013,410 1.246,411 2.488,412 1.048,413 3.488,414 2,415 1,416 1.488,418 2.198,419 1,420 2.037,421 1,422 3.247,423 1.837,424 0.864,425 0.986,427 2.136,428 0.829,429 1.455,430 0.38,431 2.976,432 1.085,433 0.135,434 0.171,436 0.36,437 0.127,438 1.149,439 0.181,440 2.634,441 0.714,442 -0.173,443 -0.217,445 -0.422,446 -0.127,447 0.944,448 -0.255,449 2.529,450 0.566,451 -0.407,452 -0.517,454 -1.049,455 -0.394,456 0.649,457 -0.471,458 2.338,459 0.232,460 -0.684,461 -0.828,463 -1.725,464 -0.57,465 0.5,466 -0.725,467 2,468 0.106,469 -0.886,470 -1.025,472 -2.16,473 -0.879,474 11.014,475 0.501,476 0.448,477 0.02,478 30.25,479 1.375,480 16.5,481 0.75,482 13.75,483 0.625,484 16.973,485 0.772,486 21.986,487 0.564,488 18.493,489 0.841,490 5.569,491 0.253,492 5.24,493 0.238,494 0.065,496 0.318,501 0.71,502 1.043,503 0.616,504 0.826,505 0.658,506 0.818,507 0.685,508 1.241,509 0.696,510 0.995,511 0.584,512 0.972,513 1.099,514 1.128,515 0.888,516 0.945,517 0.958,518 0.924,519 1.112,520 0.994,521 0.852,522 0.896,523 0.937,524 0.924,525 1.052,526 0.846,527 0.766,528 0.801,529 0.896,530 0.885,531 0.542,532 1.051,533 0.816,534 1.077,535 0.688,536 1.1,537 0.928,538 1.072,539 1.171,540 1.195,541 1.167,542 1.198,543 1.146,544 0.938,545 1.335,546 1.134,547 1.312,548 1.116,549 3.5,550 0.012,551 2,552 1.313,553 1.462,554 0.667,555 0.363,556 0.214,557 0.134,558 0.03,559 4743,560 11409,561 2.205,562 43.6,563 6,564 8,567 1,568 2,572 1.653,573 2.129,574 2.944,575 -0.399,582 53.933,583 1.383,584 3.285,585 4.035,586 4.702,587 4.875,588 4.875,589 2.368,590 3.88,591 4.431,592 3.045,593 703.374,594 7.654,595 7501.1,600 206.131,601 1.143,602 4.418,603 0.14,604 0.012,605 0.057,606 0.036,607 0.046,608 0.021,609 0.012,610 0.009,611 0.011,612 0.007,613 0.352,614 0.67,615 0.88,616 0.405,617 98.338,618 -0.021,619 0.002,620 0.025,621 0.038,623 0.049,624 0.045,625 -0.228,626 0.02,627 -0.099,628 0.133,629 -0.068,630 -0.045,631 -0.094,632 0.001,633 -0.014,634 -0.006,635 0.013,636 0.036,637 0.091,638 -0.011,639 0.01,640 0.018,641 -0.008,642 -0.164,643 0.204,644 -0.016,645 0.111,646 -0.123,647 0.041,648 0.104,649 -0.105,650 -0.014,651 -0.121,652 0.045,653 -0.134,654 -0.061,655 -0.167,656 -0.126,657 -0.181,658 -0.153,659 -0.186,660 -0.048,661 -0.065,662 -0.056,663 -0.056,664 -0.078,665 -0.048,666 0.929,667 2.043,668 0.909,669 14.909,670 0.99,671 1.109,672 4.214,673 17.761,674 0.717,675 3.258,676 3.584,677 3.892,678 4.22,679 4.543,680 4.644,681 4.796,682 4.963,683 5.03,684 4.913,685 4.761,686 0.669,687 308.83,688 3.258,689 4.796,690 5.659,691 6.55,692 7.437,693 8.338,694 9.236,695 10.143,696 11.045,697 11.956,698 5.1,706 1,708 1,714 2,715 8,716 1,720 5,722 17,734 1,740 1,741 39,743 17,744 2,745 25,747 42,748 19,749 15,750 4,751 8,756 4,757 7,758 1,767 4,770 4,772 15,773 4,793 17,794 2,795 1,796 3,797 1,802 2,808 0.5,822 1,829 4,833 2,859 2,865 1,868 22,876 4,877 1,892 1,901 10.333,902 7.01,903 4.778,904 2.566,907 3.373,908 1.459,909 1.052,910 3.57,911 10.728,912 3.541,913 4.19,914 4.826,915 5.476,916 6.125,917 6.471,918 6.893,919 7.352,920 7.716,921 7.804,922 1,923 36,924 8.124,926 3.485,927 0.026,929 7.467,931 16.048,933 13.707,936 1.967,937 43.278,938 0.001,941 188.338,942 105.622,943 34.796,944 39.149,948 105.622,949 227.486,950 34.796,952 10.138,953 75.81,954 16.786,955 37.684,957 188.338,958 39.149,959 188.338,960 140.418,962 39.149,964 188.338,968 33.05,969 90.583,970 55.934,972 188.338,973 34.796,974 144.77,977 188.338,978 29.812,979 75.81,980 18.011,981 55.934,982 188.338,983 34.796,984 144.77,986 0.577,987 0.337,988 0.196,989 0.119,990 19,991 7,992 0.048,993 2,994 2,995 1.2,996 3.434,997 185.2,998 0.2,999 20,1000 94.107,1005 13.745,1006 5.714,1007 2.637,1008 2.125,1009 34.796,1010 16.299,1011 4.854,1015 5.631,1017 18.011,1018 367.904,1019 33.5,1031 38.596,1032 43.262,1034 0.262,1035 0.622,1036 0.763,1037 0.89,1038 0.922,1039 0.922,1040 4.764,1041 1.256,1042 5.631,1043 3.22,1044 4.263,1045 4.875,1046 0.278,1047 6.454,1048 4.193,1049 5.975,1050 1,1051 7.185,1052 3.013,1053 3.761,1054 4.691,1056 7.357,1057 3.611,1058 7.288,1059 0.864,1060 8.843,1061 2.198,1062 5.849,1063 7.149,1064 0.05,1065 10.517,1066 5.725,1067 8.641,1068 0.135,1069 10.565,1070 2.136,1071 6.196,1072 7.819,1074 12.3,1075 6.017,1076 10.029,1077 -0.173,1078 12.332,1079 0.36,1080 7.734,1081 9.735,1082 0.008,1083 14.977,1084 7.567,1085 11.442,1086 -0.407,1087 14.129,1088 -0.422,1089 8.503,1090 10.828,1092 17.132,1093 8.298,1094 12.876,1095 -0.684,1096 15.949,1097 -1.049,1098 9.808,1099 12.513,1100 0.001,1101 19.648,1102 9.602,1103 3.243,1104 -0.886,1105 17.786,1106 -1.725,1107 10.787,1108 13.823,1110 21.963,1111 10.553,1112 2.615,1113 11.401,1114 19.638,1115 -2.16,1116 11.999,1117 15.408,1119 24.423,1120 11.754,1121 2.522,1122 8.477,1123 21.5,1124 4.585,1125 13.08,1126 16.828,1128 26.805,1129 12.811,1130 2.17,1131 7.386,1132 23.373,1133 3.557,1134 14.259,1135 18.372,1137 29.247,1138 13.974,1139 1.953,1140 6.417,1141 25.253,1142 3.424,1143 15.388,1144 19.845,1146 31.657,1147 15.08,1148 1.479,1149 5.546,1150 27.139,1151 2.941,1152 16.557,1153 21.373,1155 34.093,1156 16.231,1157 1.414,1158 3.399,1159 29.031,1160 2.692,1161 17.709,1162 22.871,1164 36.516,1165 17.361,1166 4461,1167 7035,1168 17.394,1169 27.961,1170 37.436,1171 37.841,1172 37.975,1173 37.512,1174 37.303,1175 50.163,1176 0.8,1177 107.105,1178 35.872,1179 5.602,1180 5.383,1181 6.642,1182 5.263,1183 5.243,1184 7.585,1185 0.8,1186 18.939,1187 5.171,1188 5.807,1189 1.497,1190 1.514,1191 1.519,1192 1.5,1193 1.492,1194 2.007,1195 0.032,1196 4.284,1197 1.435,1198 4.119,1199 4.147,1200 4.129,1201 4.051,1202 5.042,1203 4.054,1204 3.87,1205 3.904,1206 3.83,1207 3.806,1208 4.783,1209 3.8,1210 3.736,1211 3.78,1212 3.744,1213 3.659,1214 4.66,1215 3.644,1216 3.301,1217 3.351,1218 3.4,1219 3.194,1220 4.169,1221 3.185,1222 3.142,1223 3.218,1224 3.044,1225 2.973,1226 4.081,1227 2.973,1228 2.955,1229 3.041,1230 2.94,1231 2.789,1232 3.891,1233 2.776,1234 2.854,1235 2.925,1236 2.768,1237 2.741,1238 3.674,1239 2.726,1240 2.852,1241 2.91,1242 2.687,1243 2.735,1244 3.521,1245 2.715,1246 0.186,1247 0.135,1248 0.274,1249 0.169,1250 0.13,1251 4.656,1252 0.183,1253 3.383,1254 0.016,1255 6.84,1256 0.456,1257 4.221,1258 0.127,1259 3.243,1260 4.585,1261 0.4,1262 11.401,1263 3.171,1264 2.073,1265 2.05,1266 2.15,1267 2.161,1268 1.433,1269 2.16,1270 1.872,1271 1.841,1272 2.001,1273 1.962,1274 1.153,1275 1.977,1276 1.75,1277 1.709,1278 1.923,1279 1.862,1280 1.05,1281 1.891,1282 1.277,1283 1.234,1284 1.468,1285 1.43,1286 0.755,1287 1.444,1288 1.134,1289 1.06,1290 1.405,1291 1.345,1292 0.605,1293 1.378,1294 0.954,1295 0.881,1296 1.197,1297 1.177,1298 0.28,1299 1.193,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.857,1307 0.802,1308 1.107,1309 1.02,1310 0.19,1311 1.057,1312 3.932,1314 5.252,1316 6.792,1318 8.437,1320 10.139,1323 6.154,1328 4.603,1329 3.611,1340 26.085,1341 53.933,1342 128.131,1343 157.376,1344 183.376,1345 190.131,1346 190.131,1347 24.515,1348 7.354,1349 24.92,1350 24.92,1351 24,1352 12.472,1353 4.17,1354 3.248,1355 29.597,1356 60,1357 66,1358 0.239,1359 161.954,1360 271.21,1361 386.927,1362 14797,1363 2.6,1364 14.941,1365 0.679,1366 0.592,1367 15.441,1368 13.028,1369 10.81,1370 0.432,1371 0.325,1372 7.74,1373 10.378,1374 7.543,1375 6.224,1376 11.098,1377 8.12,1378 9.69,1379 0.277,1380 0.177,1381 10.098,1382 6.208,1383 8.307,1384 0.173,1385 0.094,1386 8.569,1387 4.503,1388 7.313,1389 0.109,1390 0.05,1391 7.548,1392 3.374,1393 6.455,1394 0.069,1395 0.028,1396 6.687,1397 2.597,1398 0.355,1399 68.85,1400 0.24,1401 21.098,1402 0.717,1403 120,1404 274.181,1405 139.627,1406 307.997,1407 428.75,1408 290,1409 143,1410 306.933,1411 157.421,1412 324.829,1413 478.59,1414 309,1415 6.77}
{0 CHEMBL1084784,1 1.539,2 9.455,3 3.151,4 9.929,5 84.589,6 7.409,7 0.667,8 3.793,9 3.912,10 3.368,11 3.29,12 4.916,13 3.285,14 4.302,15 4.489,16 3.723,17 3.659,18 5.413,19 3.642,20 4.45,21 4.616,22 3.75,23 3.799,24 5.546,25 3.752,26 4.604,27 4.817,28 3.592,29 3.768,30 5.662,31 3.691,32 4.423,33 4.648,34 3.461,35 3.691,36 5.42,37 3.586,38 4.398,39 4.636,40 3.285,41 3.625,42 5.335,43 3.481,44 4.307,45 4.585,46 3.05,47 3.402,48 5.132,49 3.233,50 3.983,51 4.256,52 2.899,53 3.005,54 4.907,55 2.902,56 0.008,57 0.593,58 8.151,59 3.389,60 5.109,61 4.515,62 0.377,63 0.929,64 15.681,65 5.127,66 23.226,67 7.197,68 0.108,69 1.032,70 17.499,71 6.919,72 16.759,73 9.16,74 0.411,75 1.089,76 23.121,77 7.442,78 49.265,79 9.839,80 0.162,81 0.97,82 18.22,83 6.868,84 24.592,85 9.624,86 0.191,87 0.904,88 18.124,89 7.146,90 25.277,91 10.026,92 0.17,93 0.764,94 17.58,95 6.681,96 21.229,97 9.625,98 0.213,99 0.539,100 13.11,101 4.347,102 19.411,103 6.165,104 20,105 34,106 0.271,107 0.57,108 0.691,109 0.805,110 0.805,111 0.805,112 3.146,113 0.89,114 -3.27,115 -3.25,116 -3.12,121 42.5,126 3,144 7,145 1,146 1,148 1,153 2,161 1,163 1,176 6,179 3,180 4,182 1,187 5,189 2,192 4,200 2,203 3,206 7,214 1,216 3,219 6,227 4,232 2,234 1,239 6,243 1,251 4,256 1,258 2,268 2,269 2,281 612,282 14.637,283 14.637,284 14.637,285 14.637,286 14.637,287 12.637,288 10.543,289 8.509,290 15.054,291 11.807,292 11.807,293 11.807,294 11.807,295 11.807,296 8.766,297 10.079,298 4.019,299 12.469,300 3.783,301 2.087,302 1.405,303 0.757,304 0.757,305 0.757,306 3.824,310 1,311 1,312 1,313 444,314 3.162,317 46.884,318 130.631,321 92.079,325 1.686,326 13.371,327 1,328 1,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 47.5,338 208,339 4.654,340 3.762,341 6.795,342 4.165,343 3.226,344 4.598,345 2.208,346 11.14,347 3.036,348 4.101,349 3.253,350 5.996,351 3.696,352 2.76,353 3.713,354 0.655,355 8.46,356 2.585,357 3.883,358 2.746,359 5.811,360 3.53,361 2.571,362 3.196,363 0.13,364 7.851,365 2.436,366 3.583,367 2.444,368 5.256,369 3.18,370 2.231,371 2.893,373 6.425,374 2.113,375 3.252,376 1.984,377 5.012,378 2.768,379 1.837,380 2.558,382 5.432,383 1.709,384 3.02,385 1.92,386 4.463,387 2.509,388 1.536,389 2.268,391 4.161,392 1.489,393 2.696,394 1.552,395 3.616,396 2.204,397 1.24,398 1.786,400 2.881,401 1.191,402 2.5,403 1.257,404 3.525,405 2,406 1.028,407 1.5,409 2.378,410 1,411 2.313,412 1,413 3.414,414 1.986,415 1,416 1.21,418 2.275,419 0.966,420 2.124,421 0.855,422 3.361,423 1.666,424 0.698,425 0.968,427 1.704,428 0.674,429 1.33,430 0.654,431 2.687,432 0.918,433 -0.047,434 -0.06,436 -0.113,437 -0.044,438 0.907,439 -0.127,440 2.335,441 0.508,442 -0.447,443 -0.571,445 -1.085,446 -0.422,447 0.661,448 -0.399,449 2.162,450 0.166,451 -0.797,452 -1,454 -1.963,455 -0.759,456 0.576,457 -0.6,458 2,459 0.084,460 -0.896,461 -1.102,463 -2,464 -0.873,465 0.5,466 -0.8,467 2,469 -1,470 -1.297,472 -2.162,473 -0.9,474 10.367,475 0.471,476 0.613,477 0.028,478 30,479 1.364,480 15,481 0.682,482 15,483 0.682,484 14.457,485 0.657,486 23.533,487 0.588,488 21.672,489 0.985,490 6.291,491 0.286,492 4.267,493 0.194,494 0.177,496 0.357,501 0.809,502 1.597,503 0.764,504 1.217,505 0.608,506 1.017,507 0.793,508 0.789,509 0.782,510 0.668,511 0.466,512 0.689,513 1.049,514 1.283,515 1.002,516 1.226,517 0.741,518 1.126,519 1.773,520 0.904,521 1.247,522 0.864,523 1.738,524 0.964,525 0.803,526 1.043,527 1.035,528 1.076,529 0.913,530 1.084,531 0.622,532 1.009,533 1.06,534 1.161,535 0.846,536 1.183,537 0.487,538 0.96,539 0.843,540 1.086,541 0.474,542 1.044,543 0.945,544 0.789,545 0.747,546 0.824,547 0.762,548 0.78,549 4.5,550 0.119,551 2.889,552 1.764,553 1.289,554 0.691,555 0.296,556 0.265,557 0.164,558 0.154,559 5003,560 12975,561 2.043,562 45,564 16,565 2,572 1.641,573 1.886,574 3.224,575 -0.762,576 1,577 1,579 1,582 61.577,583 1.539,584 3.235,585 3.917,586 4.565,587 4.565,588 4.565,589 2.754,590 4.187,591 4.428,592 3.401,593 785.595,594 7.587,595 8664.26,596 1,597 1,598 1,599 1,600 212.877,601 1.495,602 4.376,603 0.188,604 0.01,605 0.085,606 0.052,607 0.046,608 0.028,609 0.015,610 0.018,611 0.013,612 0.011,613 0.464,614 0.83,615 1,616 1.258,617 101.671,618 -0.008,619 -0.42,620 0.08,621 -0.196,622 -0.068,623 -0.073,624 0.26,625 0.363,626 0.162,627 0.27,628 0.192,629 0.221,630 -0.085,631 -0.228,632 -0.095,633 -0.213,634 0.034,635 -0.163,636 -0.356,637 0.065,638 -0.232,639 0.088,640 -0.267,641 -0.034,642 -0.079,643 -0.042,644 -0.106,645 -0.077,646 -0.03,647 -0.09,648 0.044,649 -0.066,650 -0.127,651 -0.142,652 -0.079,653 -0.16,654 0.186,655 -0.112,656 0.14,657 -0.071,658 0.058,659 0.008,660 0.192,661 0.066,662 0.307,663 0.137,664 0.155,665 0.216,666 2.048,667 4.535,668 0.682,669 18.983,670 1.002,671 1.126,672 2.036,673 4.144,674 0.666,675 3.219,676 3.555,677 3.829,678 4.06,679 4.277,680 4.317,681 4.454,682 4.575,683 4.564,684 4.543,685 5.775,686 0.636,687 296.38,688 3.219,689 4.762,690 5.617,691 6.497,692 7.373,693 8.26,694 9.145,695 10.036,696 10.927,697 11.821,698 7.5,705 1,706 1,708 1,714 1,715 9,720 3,721 1,722 16,737 1,741 40,743 17,744 1,745 24,747 42,748 17,749 13,750 2,751 4,756 3,757 4,772 14,773 3,777 1,782 1,786 1,789 1,790 1,793 18,794 3,796 5,799 1,802 3,803 1,808 0.667,809 2,822 1,828 1,829 2,832 1,859 2,864 3,868 22,878 1,881 1,893 5,896 1,898 1,901 11.667,902 8.233,903 4.806,904 2.251,907 3.252,908 1.469,909 0.984,910 3.963,911 10.178,912 3.526,913 4.171,914 4.799,915 5.417,916 5.979,917 6.323,918 6.797,919 7.247,920 7.484,921 7.789,922 1,923 34,924 8.077,926 3.331,927 0.026,929 7.72,931 15.392,933 12.198,936 2.22,937 48.833,941 211.88,942 129.281,943 6.31,945 36.145,948 129.281,949 248.025,950 6.31,951 25.189,952 3.124,953 84.429,954 28.759,955 23.472,956 30.305,957 188.338,959 211.88,960 135.591,961 36.145,964 211.88,965 36.145,968 8.883,969 124.809,970 1.899,972 211.88,973 42.455,974 129.281,977 211.88,978 19.664,979 115.928,981 36.145,982 211.88,983 42.455,984 129.281,986 0.589,987 0.347,988 0.173,989 0.095,990 17,991 8,992 0.071,993 3,994 1,995 1.133,996 3.421,997 170.69,998 0.133,999 15,1000 92.107,1005 14.755,1006 5.909,1007 2.917,1008 1.112,1009 39.269,1010 17.695,1015 2.696,1016 2.126,1018 383.616,1019 33,1024 11.535,1028 -0.382,1031 40.087,1032 45.028,1034 0.289,1035 0.608,1036 0.736,1037 0.858,1038 0.858,1039 0.858,1040 4.754,1041 1.028,1042 5.617,1043 2.881,1044 4.234,1045 4.856,1046 2.32,1047 6.441,1048 4.127,1049 5.984,1050 1,1051 7.192,1052 2.378,1053 3.892,1054 4.732,1055 1.847,1056 7.38,1057 3.698,1058 7.304,1059 0.698,1060 8.868,1061 2.275,1062 5.844,1063 7.127,1064 3.527,1065 10.482,1066 5.618,1067 8.663,1068 -0.047,1069 10.602,1070 1.704,1071 6.312,1072 7.849,1073 3.656,1074 12.259,1075 5.993,1076 10.056,1077 -0.447,1078 12.373,1079 -0.113,1080 7.759,1081 9.728,1082 4.955,1083 14.893,1084 7.411,1085 11.472,1086 -0.797,1087 14.169,1088 -1.085,1089 8.592,1090 10.861,1091 5.37,1092 17.024,1093 8.156,1094 12.909,1095 -0.896,1096 15.984,1097 -1.963,1098 9.846,1099 12.525,1100 6.458,1101 19.504,1102 9.372,1103 3.226,1104 -1,1105 17.815,1106 -2,1107 10.85,1108 13.863,1109 7.028,1110 21.79,1111 10.295,1112 2.76,1113 11.14,1114 19.657,1115 -2.162,1116 12.031,1117 15.437,1118 7.994,1119 24.219,1120 11.431,1121 2.571,1122 8.46,1123 21.509,1124 4.598,1125 13.115,1126 16.873,1127 8.654,1128 26.573,1129 12.442,1130 2.231,1131 7.851,1132 23.37,1133 3.713,1134 14.273,1135 18.413,1136 9.549,1137 28.986,1138 13.548,1139 1.837,1140 6.425,1141 25.238,1142 3.196,1143 15.395,1144 19.894,1145 10.263,1146 31.37,1147 14.603,1148 1.536,1149 5.432,1150 27.113,1151 2.893,1152 16.549,1153 21.421,1154 11.116,1155 33.779,1156 15.7,1157 1.24,1158 4.161,1159 28.992,1160 2.558,1161 17.69,1162 22.925,1163 11.862,1164 36.177,1165 16.778,1166 4934,1167 8040,1168 15.72,1169 26.637,1170 36.752,1171 37.612,1172 37.833,1173 36.326,1174 36.255,1175 49.379,1176 5.986,1177 105.416,1178 34.398,1179 5.478,1180 5.762,1181 6.476,1182 5.226,1183 5.226,1184 7.598,1185 3.912,1186 18.485,1187 5.036,1188 11.801,1189 1.531,1190 1.567,1191 1.576,1192 1.514,1193 1.511,1194 2.057,1195 0.249,1196 4.392,1197 1.433,1198 4.177,1199 4.227,1200 4.142,1201 4.027,1202 7.433,1203 4.049,1204 3.867,1205 3.89,1206 3.813,1207 3.776,1208 5.005,1209 3.78,1210 3.616,1211 3.682,1212 3.528,1213 3.35,1214 4.777,1215 3.382,1216 3.428,1217 3.493,1218 3.319,1219 3.278,1220 4.333,1221 3.282,1222 3.107,1223 3.188,1224 2.948,1225 2.907,1226 4.213,1227 2.903,1228 3.016,1229 3.036,1230 2.889,1231 2.742,1232 4.004,1233 2.773,1234 2.874,1235 3.009,1236 2.687,1237 2.735,1238 3.87,1239 2.715,1240 2.854,1241 2.925,1242 2.603,1243 2.632,1244 3.674,1245 2.606,1246 0.194,1247 0.157,1248 0.283,1249 0.174,1250 0.134,1251 4.654,1252 0.192,1253 3.762,1254 0.092,1255 6.795,1256 0.464,1257 4.165,1258 0.127,1259 3.226,1260 4.598,1261 2.208,1262 11.14,1263 3.036,1264 1.916,1265 1.893,1266 2.015,1267 2.079,1268 1.13,1269 2.062,1270 1.906,1271 1.863,1272 2.006,1273 2.011,1274 1.097,1275 2.009,1276 1.535,1277 1.476,1278 1.785,1279 1.825,1280 0.836,1281 1.811,1282 1.472,1283 1.398,1284 1.693,1285 1.695,1286 0.777,1287 1.699,1288 1.126,1289 1.053,1290 1.417,1291 1.338,1292 0.469,1293 1.357,1294 0.934,1295 0.855,1296 1.379,1297 1.239,1298 0.459,1299 1.308,1300 0.886,1301 0.821,1302 1.181,1303 1.208,1304 0.218,1305 1.151,1306 0.881,1307 0.804,1308 1.099,1309 1.062,1310 0.183,1311 1.107,1312 3.892,1314 5.22,1315 2.398,1316 6.742,1317 4.844,1318 8.345,1319 7.034,1320 9.991,1322 5.345,1330 5.231,1333 1.397,1340 25.445,1341 61.577,1342 129.412,1343 156.696,1344 182.612,1345 182.612,1346 182.612,1347 26.979,1348 6.927,1349 37.83,1350 37.83,1351 17,1352 12.348,1353 4.17,1354 3.322,1355 34.68,1356 76,1357 70,1358 0.229,1359 158.08,1360 263.66,1361 377.475,1362 8478,1364 15.69,1365 0.713,1366 0.587,1367 15.69,1368 12.907,1369 10.559,1370 0.44,1371 0.297,1372 6.982,1373 10.065,1374 6.717,1375 5.67,1376 10.559,1377 7.119,1378 9.705,1379 0.285,1380 0.16,1381 9.705,1382 5.448,1383 8.234,1384 0.183,1385 0.082,1386 8.234,1387 3.682,1388 6.375,1389 0.112,1390 0.043,1391 6.375,1392 2.446,1393 5.22,1394 0.074,1395 0.023,1396 5.22,1397 1.655,1398 0.359,1399 66.686,1400 0.252,1401 21.774,1402 0.626,1403 116,1404 335.094,1405 129.386,1406 322.892,1407 446.63,1408 302,1409 137,1410 340.078,1411 151.334,1412 344.842,1413 501.5,1414 321,1415 4.767}
{0 CHEMBL1084785,1 1.797,2 10.385,3 4.385,4 19.226,5 90.44,6 8.474,7 0.571,8 3.888,9 3.997,10 3.546,11 3.347,12 5.107,13 3.38,14 4.439,15 4.609,16 4.019,17 3.716,18 6.121,19 3.754,20 4.557,21 4.709,22 4.018,23 3.878,24 5.862,25 3.88,26 4.766,27 4.956,28 3.989,29 3.884,30 6.105,31 3.888,32 4.659,33 4.869,34 3.904,35 3.802,36 6.013,37 3.787,38 4.548,39 4.761,40 3.655,41 3.732,42 5.766,43 3.662,44 4.559,45 4.813,46 3.52,47 3.548,48 5.822,49 3.485,50 4.26,51 4.503,52 3.385,53 3.174,54 5.631,55 3.188,56 0.186,57 0.836,58 6.787,59 3.801,60 21.957,61 4.249,62 1.069,63 1.616,64 16.659,65 5.868,66 138.175,67 6.889,68 0.589,69 1.436,70 16.327,71 7.411,72 31.9,73 8.765,74 1.013,75 1.671,76 25.277,77 8.762,78 104.548,79 9.549,80 0.911,81 1.627,82 22.73,83 8.191,84 91.471,85 9.445,86 0.635,87 1.319,88 19.83,89 8.186,90 69.23,91 9.896,92 0.872,93 1.269,94 24.195,95 8.186,96 104.304,97 9.762,98 0.721,99 0.974,100 18.163,101 5.556,102 79.553,103 6.273,104 56,105 42,106 0.312,107 0.613,108 0.705,109 0.801,110 0.801,111 0.801,112 3.304,113 0.842,114 -4.12,115 -4.06,116 -3.84,121 41.9,126 3,134 1,144 7,145 1,146 1,148 1,153 1,154 1,161 1,163 1,176 6,179 3,180 4,182 1,187 5,189 2,192 4,200 2,203 3,206 7,214 1,216 3,219 6,227 4,232 2,234 1,239 6,243 1,251 4,256 1,258 2,268 2,269 2,281 992,282 16.61,283 16.61,284 16.61,285 16.61,286 16.61,287 14.655,288 14.998,289 9.366,290 17.268,291 13.769,292 13.769,293 13.769,294 13.769,295 13.769,296 10.708,297 14.233,298 4.405,299 14.913,300 3.629,301 1.9,302 1.371,303 0.814,304 0.814,305 0.814,306 3.976,311 1,312 1,313 564,314 4.062,317 56.04,318 156.506,321 110.512,325 1.769,326 43.721,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 60,338 270,339 4.771,340 4.47,341 7.308,342 4.337,343 3.447,344 4.697,345 3.825,346 12.593,347 3.118,348 4.339,349 3.762,350 6.74,351 4.01,352 3.107,353 3.81,354 2.208,355 10.818,356 2.801,357 4.056,358 3.26,359 6.012,360 3.679,361 2.752,362 3.493,363 0.655,364 8.462,365 2.523,366 3.851,367 2.755,368 5.812,369 3.493,370 2.546,371 3.116,372 0.13,373 7.856,374 2.376,375 3.554,376 2.489,377 5.307,378 3.164,379 2.222,380 2.835,382 6.463,383 2.081,384 3.211,385 2.08,386 5.168,387 2.757,388 1.859,389 2.417,391 5.889,392 1.641,393 3.02,394 1.974,395 4.526,396 2.51,397 1.537,398 2.268,400 4.185,401 1.488,402 2.707,403 1.556,404 4.184,405 2.221,406 1.267,407 1.797,409 3.414,410 1.2,411 2.5,412 1.35,413 3.606,414 2,415 1.038,416 1.5,418 2.421,419 1,420 2.315,421 1.008,422 3.492,423 1.991,424 1,425 1.216,427 2.275,428 0.971,429 2.207,430 1,431 3.414,432 1.762,433 0.81,434 1.093,436 2.116,437 0.764,438 1.344,439 0.704,440 2.872,441 0.942,442 -0.02,443 -0.025,445 -0.049,446 -0.019,447 0.992,448 0.51,449 2.644,450 0.587,451 -0.366,452 -0.465,454 -0.959,455 -0.344,456 0.738,457 0.51,458 2.392,459 0.284,460 -0.668,461 -0.9,463 -1.66,464 -0.633,465 0.595,466 -0.004,467 2.3,468 0.141,469 -0.849,470 -1,472 -2,473 -0.7,474 11.724,475 0.451,476 0.991,477 0.038,478 32.75,479 1.26,480 15,481 0.577,482 17.75,483 0.683,484 19.89,485 0.765,486 29.376,487 0.683,488 28.585,489 1.099,490 6.99,491 0.269,492 5.19,493 0.2,494 0.229,495 0.043,496 0.358,498 3,501 0.627,502 1.176,503 0.624,504 1.223,505 0.581,506 1.011,507 0.482,508 0.636,509 0.601,510 0.674,511 0.34,512 0.666,513 0.63,514 0.862,515 0.807,516 1.162,517 0.532,518 1.102,519 1.21,520 1.025,521 1.102,522 0.96,523 1.064,524 0.983,525 1.001,526 1.027,527 1.033,528 1.033,529 1.106,530 1.043,531 0.744,532 0.978,533 1.014,534 1.204,535 0.786,536 1.236,537 1.077,538 1.072,539 1.043,540 1.048,541 1.104,542 1.042,543 1.314,544 1.153,545 0.973,546 0.919,547 1.261,548 0.835,549 7,550 0.152,551 4,552 2.576,553 1.813,554 1.452,555 0.541,556 0.405,557 0.255,558 0.241,559 7343,560 27061,561 1.961,562 39.5,564 16,565 1,572 1.689,573 1.763,574 3.325,575 -0.684,577 1,582 77.274,583 1.797,584 3.526,585 4.056,586 4.612,587 4.612,588 4.612,589 2.768,590 4.287,591 4.668,592 3.531,593 1147.71,594 8.083,595 14201.3,597 1,599 1,600 233.329,601 1.75,602 4.579,603 0.25,604 0.01,605 0.095,606 0.06,607 0.045,608 0.04,609 0.019,610 0.018,611 0.013,612 0.013,613 0.563,614 0.67,615 1,616 1.337,617 126.988,618 -0.045,619 -0.237,620 0.046,621 -0.18,622 -0.095,623 -0.072,624 0.399,625 0.378,626 0.26,627 0.28,628 0.446,629 0.237,630 0.045,631 -0.002,632 -0.028,633 -0.157,634 0.032,635 -0.142,636 -0.237,637 -0.137,638 -0.155,639 0.002,640 -0.134,641 -0.032,642 -0.054,643 0.019,644 -0.081,645 -0.041,646 -0.102,647 -0.065,648 -0.019,649 -0.114,650 -0.106,651 -0.182,652 -0.05,653 -0.188,654 -0.074,655 -0.089,656 0.032,657 -0.037,658 -0.094,659 0.022,660 -0.121,661 -0.125,662 0.151,663 0.05,664 -0.085,665 0.171,666 5.701,667 5.218,668 0.577,669 24.55,670 1.035,671 1.15,672 2.888,673 8.34,674 0.656,675 3.367,676 3.761,677 4.007,678 4.263,679 4.5,680 4.625,681 4.796,682 4.86,683 4.883,684 4.963,685 6.303,686 0.654,687 364.38,688 3.367,689 4.949,690 5.808,691 6.718,692 7.603,693 8.517,694 9.415,695 10.331,696 11.236,697 12.156,698 7,705 1,706 1,708 1,714 1,715 8,720 4,721 1,722 16,737 1,741 43,743 17,744 1,745 28,747 45,748 18,749 13,750 2,751 4,756 3,757 4,763 1,769 1,772 14,773 4,777 1,782 1,786 1,790 1,791 3,793 17,794 6,796 8,799 1,802 3,803 1,808 0.667,809 2,822 1,828 1,829 2,832 1,859 2,864 3,866 3,868 26,878 1,881 1,882 1,892 3,893 4.7,896 1,898 1,901 14.75,902 8.829,903 5.5,904 2.377,907 3.278,908 1.447,909 0.98,910 4.781,911 10.608,912 3.638,913 4.301,914 4.921,915 5.557,916 6.137,917 6.546,918 7.04,919 7.455,920 7.751,921 8.12,922 0.857,923 43,924 10.048,926 4.717,927 0.026,929 8.337,931 17.415,933 13.935,936 2.837,937 73.75,940 1,941 200.109,942 130.75,943 6.31,945 36.145,946 44.88,948 130.75,949 236.254,950 51.19,951 25.189,952 3.124,953 75.381,954 28.759,955 68.352,956 21.29,957 188.338,958 7.76,959 200.109,960 137.06,961 81.025,964 200.109,965 81.025,968 16.642,969 118.519,970 1.899,972 244.989,973 42.455,974 130.75,977 207.868,978 22.42,979 106.88,981 81.025,982 200.109,983 87.335,984 130.75,986 0.606,987 0.345,988 0.168,989 0.094,990 21,991 11,992 0.067,993 3,994 1,995 1.133,996 3.609,997 220.504,998 0.133,999 15,1000 111.457,1005 18.428,1006 6.745,1007 3.623,1008 0.415,1009 84.149,1010 12.075,1015 0.921,1016 1.677,1018 418.194,1019 37,1024 11.56,1028 -0.507,1031 44.509,1032 49.462,1034 0.331,1035 0.65,1036 0.747,1037 0.85,1038 0.85,1039 0.85,1040 4.913,1041 1.267,1042 5.872,1043 4.185,1044 4.443,1045 4.987,1046 3.402,1047 6.77,1048 4.29,1049 6.178,1050 1.038,1051 7.503,1052 3.414,1053 4.369,1054 5.017,1055 4.006,1056 8.009,1057 4.037,1058 7.53,1059 1,1060 9.242,1061 2.421,1062 6.176,1063 7.28,1064 5.557,1065 11.06,1066 5.843,1067 8.92,1068 0.81,1069 11.044,1070 2.275,1071 6.858,1072 8.096,1073 6.735,1074 13.076,1075 6.341,1076 10.341,1077 -0.02,1078 12.885,1079 2.116,1080 8.244,1081 9.909,1082 8.101,1083 15.743,1084 7.702,1085 11.784,1086 -0.366,1087 14.754,1088 -0.049,1089 9.229,1090 11.098,1091 9.406,1092 18.055,1093 8.527,1094 13.245,1095 -0.668,1096 16.643,1097 -0.959,1098 10.482,1099 12.736,1100 10.748,1101 20.611,1102 9.723,1103 3.447,1104 -0.849,1105 18.547,1106 -1.66,1107 11.594,1108 14.109,1109 12.081,1110 23.041,1111 10.698,1112 3.107,1113 12.593,1114 20.464,1115 -2,1116 12.807,1117 15.679,1118 13.421,1119 25.565,1120 11.832,1121 2.752,1122 10.818,1123 22.391,1124 4.697,1125 13.974,1126 17.14,1127 14.76,1128 28.046,1129 12.879,1130 2.546,1131 8.462,1132 24.326,1133 3.81,1134 15.181,1135 18.687,1136 16.101,1137 30.563,1138 13.994,1139 2.222,1140 7.856,1141 26.269,1142 3.493,1143 16.374,1144 20.191,1145 17.442,1146 33.065,1147 15.075,1148 1.859,1149 6.463,1150 28.217,1151 3.116,1152 17.583,1153 21.731,1154 18.783,1155 35.583,1156 16.188,1157 1.537,1158 5.889,1159 30.17,1160 2.835,1161 18.789,1162 23.256,1163 20.125,1164 38.097,1165 17.288,1166 7373,1167 14318,1168 17.512,1169 28.211,1170 44.034,1171 43.926,1172 45.141,1173 43.443,1174 43.17,1175 56.484,1176 13.636,1177 132.984,1178 39.927,1179 5.595,1180 6.47,1181 6.814,1182 5.4,1183 5.447,1184 7.697,1185 5.529,1186 20.538,1187 5.118,1188 17.382,1189 1.573,1190 1.569,1191 1.612,1192 1.552,1193 1.542,1194 2.017,1195 0.487,1196 4.749,1197 1.426,1198 4.191,1199 4.238,1200 4.165,1201 4.039,1202 8.513,1203 4.063,1204 3.874,1205 3.896,1206 3.825,1207 3.785,1208 7.999,1209 3.789,1210 3.623,1211 3.686,1212 3.555,1213 3.362,1214 7.999,1215 3.395,1216 3.507,1217 3.564,1218 3.465,1219 3.297,1220 7.433,1221 3.317,1222 3.267,1223 3.316,1224 3.209,1225 3.034,1226 4.976,1227 3.07,1228 3.069,1229 3.153,1230 2.912,1231 2.81,1232 4.768,1233 2.819,1234 3,1235 3.029,1236 2.844,1237 2.735,1238 4.319,1239 2.731,1240 2.874,1241 3.009,1242 2.687,1243 2.707,1244 4.204,1245 2.715,1246 0.17,1247 0.16,1248 0.261,1249 0.155,1250 0.123,1251 4.771,1252 0.168,1253 4.47,1254 0.137,1255 7.308,1256 0.45,1257 4.337,1258 0.111,1259 3.447,1260 4.697,1261 3.825,1262 12.593,1263 3.118,1264 1.926,1265 1.893,1266 2.012,1267 2.096,1268 1.141,1269 2.069,1270 1.914,1271 1.885,1272 2.001,1273 2.012,1274 1.119,1275 2.01,1276 1.538,1277 1.48,1278 1.785,1279 1.827,1280 0.836,1281 1.811,1282 1.478,1283 1.404,1284 1.692,1285 1.708,1286 0.785,1287 1.705,1288 1.126,1289 1.055,1290 1.417,1291 1.403,1292 0.469,1293 1.361,1294 1.045,1295 1.009,1296 1.379,1297 1.338,1298 0.459,1299 1.308,1300 0.934,1301 0.835,1302 1.181,1303 1.239,1304 0.218,1305 1.293,1306 0.886,1307 0.821,1308 1.134,1309 1.201,1310 0.218,1311 1.142,1312 4.043,1314 5.416,1315 2.398,1316 6.971,1317 4.844,1318 8.606,1319 7.05,1320 10.287,1322 4.841,1324 39.655,1330 5.146,1333 1.299,1334 -4.451,1340 28.122,1341 77.274,1342 151.639,1343 174.394,1344 198.31,1345 198.31,1346 198.31,1347 58.244,1348 7.33,1349 37.83,1350 37.83,1351 17,1352 12.667,1353 4.17,1354 3.322,1355 44.489,1356 97,1357 100,1358 0.229,1359 171.267,1360 299.17,1361 409.651,1362 13755,1363 7,1364 19.06,1365 0.733,1366 0.556,1367 16.56,1368 14.464,1369 12.181,1370 0.435,1371 0.281,1372 7.645,1373 11.4,1374 7.432,1375 6.194,1376 10.969,1377 7.857,1378 12.228,1379 0.291,1380 0.146,1381 10.232,1382 6.119,1383 9.467,1384 0.175,1385 0.076,1386 8.713,1387 4.1,1388 7.485,1389 0.107,1390 0.039,1391 6.704,1392 2.746,1393 6.097,1394 0.069,1395 0.021,1396 5.489,1397 1.867,1398 0.358,1399 78.631,1400 0.239,1401 24.97,1402 0.631,1403 140,1404 619.427,1405 170.736,1406 511.157,1407 667.7,1408 472,1409 166,1410 476.43,1411 191.767,1412 461.23,1413 695.35,1414 429,1415 5}
{0 CHEMBL1084786,1 1.416,2 10.05,3 2.59,4 6.708,5 80.359,6 6.907,7 0.545,8 3.757,9 3.904,10 3.276,11 3.262,12 4.772,13 3.232,14 4.303,15 4.515,16 3.554,17 3.634,18 5.233,19 3.567,20 4.561,21 4.829,22 3.533,23 3.722,24 5.396,25 3.603,26 4.529,27 4.835,28 3.313,29 3.547,30 5.329,31 3.412,32 4.314,33 4.619,34 3.22,35 3.365,36 5.165,37 3.261,38 4.064,39 4.321,40 3.109,41 3.246,42 4.966,43 3.159,44 4.004,45 4.272,46 2.955,47 3.128,48 4.907,49 3.036,50 3.854,51 4.122,52 2.735,53 3,54 4.699,55 2.884,56 0.056,57 0.626,58 8.823,59 3.252,60 7.195,61 4.849,62 0.2,63 0.967,64 16.309,65 5.27,66 15.25,67 8.12,68 0.239,69 1.104,70 21.952,71 6.99,72 21.778,73 10.986,74 0.256,75 0.985,76 22.026,77 5.905,78 24.611,79 9.953,80 0.261,81 0.814,82 17.815,83 4.527,84 22.584,85 7.69,86 0.131,87 0.69,88 13.263,89 3.624,90 14.5,91 6.059,92 0.164,93 0.633,94 12.716,95 2.996,96 16.417,97 5.267,98 0.132,99 0.534,100 10.85,101 2.877,102 13.667,103 4.82,105 28,106 0.255,107 0.587,108 0.731,109 0.791,110 0.804,111 0.804,112 3.056,113 0.972,114 -4.55,115 -4.48,116 -4.22,121 38.5,123 3,127 2,128 1,144 5,145 1,147 1,149 1,151 1,168 1,176 8,179 1,180 4,183 2,187 7,191 1,192 6,195 2,200 3,205 1,206 6,211 2,218 2,219 4,224 2,232 3,237 2,244 6,249 2,256 4,261 1,269 2,277 2,281 476,282 14.052,283 14.052,284 14.052,285 14.052,286 14.052,287 12.64,288 12.173,289 8.757,290 14.36,291 10.904,292 10.904,293 10.904,294 10.904,295 10.904,296 8.877,297 17.115,298 4.215,299 11.4,300 3.87,301 2.023,302 1.228,303 0.891,304 0.821,305 0.821,306 3.747,310 1,311 1,312 1,313 438,314 2,318 205.958,325 1.75,326 9.799,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 42.5,338 201,339 4.244,340 2.923,341 6.143,342 3.835,343 2.871,344 3.889,345 0.886,346 9.055,347 2.771,348 3.81,349 2.837,350 5.415,351 3.492,352 2.565,353 3.303,354 0.4,355 7.169,356 2.378,357 3.499,358 2.503,359 5.242,360 3.308,361 2.363,362 2.612,364 6.685,365 2.228,366 3.255,367 1.849,368 4.444,369 2.786,370 1.819,371 2.473,373 4.51,374 1.756,375 2.655,376 1.568,377 3.641,378 2.474,379 1.497,380 1.721,382 3.15,383 1.459,384 2.5,385 1.215,386 3.503,387 2.151,388 1.177,389 1.5,391 2.715,392 1.143,393 2.5,394 1.077,395 3.414,396 2,397 1,398 1.5,400 2.275,401 1,402 2.496,403 1,404 3.247,405 1.984,406 1,407 1.496,409 2.136,410 0.983,411 2,412 1,413 3.247,414 1.942,415 1,416 1,418 2.136,419 0.939,420 1.752,421 0.868,422 3.098,423 1.56,424 0.635,425 0.692,427 1.488,428 0.586,429 1.037,430 -0.098,431 2.452,432 0.716,433 -0.238,434 -0.282,436 -0.561,437 -0.227,438 0.629,439 -0.56,440 2.121,441 0.328,442 -0.645,443 -0.731,445 -1.439,446 -0.626,447 0.5,448 -0.784,449 2,450 0.06,451 -0.911,452 -1,454 -1.969,455 -0.883,456 0.5,457 -0.854,458 1.555,460 -1,461 -1.164,463 -2.347,464 -0.923,465 0.348,466 -1,467 1.555,468 -0.049,469 -1,470 -1.5,472 -2.347,473 -0.946,474 9.5,475 0.475,476 0.256,477 0.013,478 25.75,479 1.288,480 12.5,481 0.625,482 13.25,483 0.663,484 13.699,485 0.685,486 21.7,487 0.556,488 15.125,489 0.756,490 4.957,491 0.248,492 4.958,493 0.248,496 0.2,501 0.827,502 1.447,503 0.847,504 1.185,505 0.658,506 1.045,507 1.052,508 1.107,509 1.026,510 1.06,511 0.741,512 1.043,513 0.831,514 1.085,515 0.947,516 1.068,517 0.634,518 1.029,519 1.204,520 0.979,521 0.955,522 0.87,523 1.053,524 0.879,525 1.315,526 0.763,527 0.887,528 0.651,529 1.275,530 0.704,531 1.404,532 1.198,533 1.061,534 1.002,535 1.515,536 0.99,537 1.837,538 1.066,539 1.238,540 0.909,541 2.012,542 0.983,543 1.638,544 0.999,545 1.262,546 0.97,547 1.753,548 1.053,549 2.5,550 0.008,551 1.556,552 0.375,553 0.444,554 0.431,555 0.16,556 0.095,557 0.114,558 0.056,559 4508,560 9318,561 2.169,562 48.7,563 2,564 9,565 2,566 1,567 1,569 4,572 1.609,573 2.143,574 3.322,575 -0.271,577 1,579 1,582 55.207,583 1.416,584 3.262,585 4.058,586 4.394,587 4.465,588 4.465,589 2.746,590 3.584,591 4.293,592 3.457,593 656.916,594 7.289,595 6982.82,596 1,597 1,599 1,600 206.131,601 0.722,602 4.3,603 0.114,604 0.001,605 0.056,606 0.014,607 0.022,608 0.023,609 0.009,610 0.007,611 0.01,612 0.006,613 0.262,614 0.5,615 1,617 90.842,618 0.126,619 -0.19,620 0.077,621 -0.089,622 0.212,623 -0.024,624 0.071,625 0.035,626 -0.061,627 -0.06,628 0.154,629 -0.075,630 0.154,631 -0.103,632 0.028,633 -0.094,634 0.272,635 -0.056,636 -0.045,637 -0.065,638 0.056,639 0.029,640 0.072,641 0.052,642 -0.013,643 0.181,644 0.142,645 0.224,646 0.003,647 0.206,648 -0.193,649 -0.159,650 -0.067,651 -0.069,652 -0.239,653 -0.055,654 -0.395,655 -0.016,656 -0.218,657 -0.037,658 -0.518,659 -0.094,660 -0.371,661 0.028,662 -0.262,663 -0.06,664 -0.483,665 -0.134,666 1.005,667 1.358,668 0.9,669 17.4,670 0.992,671 1.138,672 3.324,673 11.052,674 0.65,675 3.135,676 3.367,677 3.584,678 3.761,679 3.97,680 3.85,681 3.932,682 3.97,683 4.043,684 4.043,685 5.933,686 0.61,687 269.39,688 3.135,689 4.615,690 5.425,691 6.248,692 7.071,693 7.899,694 8.727,695 9.558,696 10.388,697 11.22,698 12.8,701 1,703 1,708 3,713 1,715 6,716 3,720 3,722 12,734 1,741 39,743 12,744 1,745 22,747 41,748 15,749 9,750 1,751 5,756 3,757 3,767 3,770 3,772 9,773 6,789 1,790 1,793 19,794 5,795 1,796 5,802 5,808 1,829 3,855 1,859 3,868 20,876 6,877 1,881 1,901 9.333,902 6.8,903 4.528,904 2.501,907 2.179,908 1.334,909 0.984,910 4.315,911 8.707,912 3.367,913 3.85,914 4.357,915 4.856,916 5.39,917 5.451,918 5.841,919 6.109,920 6.373,921 6.569,922 0.857,923 26,924 7.373,926 3.014,927 0.026,929 7.475,931 14.537,933 11.731,936 1.975,937 39.5,938 0.001,941 211.88,942 77.762,943 71.247,948 77.762,949 211.88,950 71.247,952 13.492,953 47.381,954 79.893,955 17.685,956 25.87,957 176.567,959 211.88,960 149.009,964 167.123,965 47.084,968 25.664,969 52.895,970 68.122,972 211.88,973 71.247,974 77.762,977 211.88,978 21.333,979 59.553,980 18.011,981 50.112,982 211.88,983 71.247,984 77.762,986 0.557,987 0.316,988 0.168,989 0.092,990 13,991 4,992 0.098,993 4,995 1,996 3.492,997 140.248,999 18,1000 78.439,1005 13.166,1006 6.554,1007 3.605,1009 71.247,1010 11.642,1011 12.718,1015 2.381,1017 18.011,1018 360.888,1019 28,1031 38.694,1032 44.398,1034 0.268,1035 0.617,1036 0.768,1037 0.831,1038 0.845,1039 0.845,1040 4.543,1041 1,1042 5.333,1043 2.275,1044 4.043,1045 4.533,1046 0.956,1047 6.014,1048 3.954,1049 5.665,1050 1,1051 6.799,1052 2.136,1053 3.219,1054 3.861,1055 0.325,1056 6.629,1057 3.049,1058 6.901,1059 0.635,1060 8.365,1061 2.136,1062 5.501,1063 6.559,1064 0.626,1065 9.691,1066 5.314,1067 8.173,1068 -0.238,1069 9.995,1070 1.488,1071 5.565,1072 6.776,1073 0.343,1074 11.212,1075 5.294,1076 9.481,1077 -0.645,1078 11.668,1079 -0.561,1080 7.219,1081 8.881,1082 0.458,1083 13.712,1084 6.937,1085 10.814,1086 -0.911,1087 13.371,1088 -1.439,1089 7.727,1090 9.552,1091 0.313,1092 15.604,1093 7.376,1094 12.166,1095 -1,1096 15.095,1097 -1.969,1098 9.073,1099 11.351,1100 0.351,1101 17.906,1102 8.705,1103 2.871,1104 -1,1105 16.835,1106 -2.347,1107 9.821,1108 12.285,1109 0.269,1110 19.963,1111 9.398,1112 2.565,1113 9.055,1114 18.587,1115 -2.347,1116 11.01,1117 13.908,1118 0.274,1119 22.194,1120 10.565,1121 2.363,1122 7.169,1123 20.348,1124 3.889,1125 11.89,1126 15.001,1127 0.224,1128 24.326,1129 11.4,1130 1.819,1131 6.685,1132 22.116,1133 3.303,1134 13,1135 16.518,1136 0.216,1137 26.533,1138 12.485,1139 1.497,1140 4.51,1141 23.89,1142 2.612,1143 13.953,1144 17.711,1145 0.183,1146 28.701,1147 13.4,1148 1.177,1149 3.15,1150 25.67,1151 2.473,1152 15.025,1153 19.163,1154 0.171,1155 30.901,1156 14.445,1157 1,1158 2.715,1159 27.454,1160 1.721,1161 16.019,1162 20.419,1163 0.148,1164 33.086,1165 15.404,1166 4271,1167 6292,1168 15.485,1169 25.358,1170 31.969,1171 31.862,1172 31.878,1173 31.878,1174 31.851,1175 40.375,1176 2.571,1177 82.635,1178 30.484,1179 5.244,1180 4.923,1181 5.945,1182 4.902,1183 4.871,1184 6.889,1185 1.556,1186 15.119,1187 4.771,1189 1.453,1190 1.448,1191 1.449,1192 1.449,1193 1.448,1194 1.835,1195 0.117,1196 3.756,1197 1.386,1198 3.964,1199 4.013,1200 3.916,1201 3.868,1202 5.125,1203 3.87,1204 3.847,1205 3.911,1206 3.724,1207 3.689,1208 4.704,1209 3.686,1210 3.69,1211 3.752,1212 3.621,1213 3.497,1214 4.36,1215 3.527,1216 3.295,1217 3.388,1218 3.149,1219 3.058,1220 4.097,1221 3.07,1222 3.111,1223 3.206,1224 2.866,1225 2.941,1226 4.034,1227 2.91,1228 2.943,1229 3.018,1230 2.826,1231 2.807,1232 3.674,1233 2.803,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 3.642,1239 2.715,1240 2.729,1241 2.829,1242 2.515,1243 2.486,1244 3.474,1245 2.474,1246 0.193,1247 0.133,1248 0.279,1249 0.174,1250 0.13,1251 4.244,1252 0.177,1253 2.923,1254 0.04,1255 6.143,1256 0.412,1257 3.835,1258 0.126,1259 2.871,1260 3.889,1261 0.886,1262 9.055,1263 2.771,1264 1.918,1265 1.887,1266 2.054,1267 2.05,1268 1.405,1269 2.047,1270 1.825,1271 1.759,1272 2.024,1273 2.003,1274 1.085,1275 2.014,1276 1.613,1277 1.552,1278 1.73,1279 1.829,1280 0.854,1281 1.812,1282 1.246,1283 1.157,1284 1.513,1285 1.519,1286 0.825,1287 1.523,1288 1.153,1289 1.064,1290 1.497,1291 1.376,1292 0.58,1293 1.429,1294 0.932,1295 0.874,1296 1.208,1297 1.152,1298 0.401,1299 1.175,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.74,1307 0.63,1308 1.09,1309 0.982,1310 0.21,1311 1.024,1312 3.807,1314 5.056,1316 6.515,1318 8.055,1320 9.632,1328 7.077,1329 3.283,1333 2.399,1340 23.795,1341 55.207,1342 127.237,1343 158.256,1344 171.376,1345 174.131,1346 174.131,1347 21.199,1348 6.528,1349 53.94,1350 53.94,1351 18,1352 11.792,1353 3.7,1354 2.807,1355 30.261,1356 72,1357 60,1358 0.207,1359 148.882,1360 248.34,1361 355.033,1362 5637,1364 13.623,1365 0.681,1366 0.575,1367 13.623,1368 11.496,1369 9.916,1370 0.451,1371 0.324,1372 7.034,1373 9.552,1374 6.914,1375 5.762,1376 9.916,1377 7.131,1378 8.26,1379 0.295,1380 0.18,1381 8.26,1382 5.047,1383 6.916,1384 0.198,1385 0.101,1386 6.916,1387 3.526,1388 5.501,1389 0.131,1390 0.057,1391 5.501,1392 2.386,1393 4.511,1394 0.087,1395 0.032,1396 4.511,1397 1.652,1398 0.332,1399 61.924,1400 0.254,1401 20.52,1402 0.544,1403 100,1404 258.913,1405 109.131,1406 256.102,1407 357.57,1408 242,1409 113,1410 270.73,1411 123.352,1412 274.433,1413 395.42,1414 258,1415 4.244}
{0 CHEMBL1084787,1 1.524,2 9.316,3 3.076,4 9.461,5 82.677,6 7.417,7 0.524,8 3.707,9 3.842,10 3.346,11 3.287,12 4.682,13 3.216,14 4.259,15 4.458,16 3.707,17 3.666,18 5.14,19 3.561,20 4.487,21 4.749,22 3.556,23 3.73,24 5.229,25 3.555,26 4.471,27 4.761,28 3.45,29 3.605,30 5.214,31 3.406,32 4.228,33 4.514,34 3.36,35 3.397,36 5.035,37 3.232,38 3.97,39 4.202,40 3.213,41 3.273,42 4.849,43 3.12,44 3.887,45 4.114,46 2.993,47 3.17,48 4.756,49 3.016,50 3.779,51 4.025,52 2.717,53 3.037,54 4.57,55 2.894,56 0.057,57 0.597,58 8.711,59 3.546,60 6.674,61 4.751,62 0.203,63 0.973,64 17.92,65 5.554,66 12.541,67 8.004,68 0.169,69 1.071,70 22.874,71 8.074,72 15.141,73 11.026,74 0.245,75 1.031,76 26.576,77 7.785,78 19.786,79 10.396,80 0.197,81 0.83,82 19.921,83 5.79,84 17.459,85 7.723,86 0.151,87 0.7,88 17.344,89 4.74,90 13.211,91 5.774,92 0.135,93 0.631,94 14.722,95 4.139,96 12.487,97 5.284,98 0.11,99 0.53,100 11.393,101 3.556,102 9.678,103 4.953,105 27,106 0.278,107 0.581,108 0.715,109 0.78,110 0.793,111 0.793,112 3.009,113 1.084,114 -4.36,115 -4.29,116 -4.05,121 37.8,123 3,127 2,128 1,144 5,145 1,163 1,164 1,168 1,176 8,180 5,183 2,185 1,187 8,192 4,195 1,200 5,205 1,206 5,211 3,214 2,218 1,219 3,224 3,227 1,232 4,237 2,239 2,244 5,249 1,251 1,256 3,264 2,269 1,277 5,281 425,282 13.345,283 13.345,284 13.345,285 13.345,286 13.345,287 12.063,288 12.173,289 8.311,290 13.784,291 10.421,292 10.421,293 10.421,294 10.421,295 10.421,296 8.549,297 17.115,298 4.015,299 11.179,300 3.685,301 2.027,302 1.294,303 0.939,304 0.865,305 0.865,306 3.696,310 1,311 1,312 1,313 386,314 2,317 51.699,318 128.074,325 1.562,326 7.904,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 40,338 177,339 4.293,340 2.973,341 6.181,342 3.836,343 2.92,344 3.953,345 0.886,346 9.223,347 2.7,348 3.763,349 2.836,350 5.403,351 3.465,352 2.544,353 3.26,354 0.4,355 7.122,356 2.339,357 3.499,358 2.436,359 5.237,360 3.233,361 2.322,362 2.529,364 6.647,365 2.085,366 3.123,367 1.783,368 4.335,369 2.68,370 1.728,371 2.343,373 4.211,374 1.637,375 2.604,376 1.551,377 3.636,378 2.461,379 1.487,380 1.636,382 3.139,383 1.443,384 2.5,385 1.187,386 3.486,387 2.08,388 1.124,389 1.5,391 2.642,392 1.067,393 2.466,394 1.077,395 3.267,396 2,397 1,398 1.463,400 2.136,401 1,402 2.172,403 1,404 3.247,405 1.984,406 1,407 1.013,409 2.136,410 0.983,411 2,412 0.773,413 3.247,414 1.587,415 0.689,416 1,418 1.686,419 0.605,420 1.637,421 0.654,422 3.029,423 1.389,424 0.511,425 0.567,427 1.219,428 0.443,429 0.755,430 -0.344,431 2.333,432 0.421,433 -0.514,434 -0.548,436 -1.222,437 -0.475,438 0.517,439 -0.682,440 2.103,441 0.275,442 -0.701,443 -0.914,445 -1.575,446 -0.681,447 0.5,448 -0.784,449 1.555,451 -1,452 -1,454 -2.347,455 -0.946,456 0.075,457 -0.971,458 1.555,459 -0.049,460 -1,461 -1.255,463 -2.347,464 -1,466 -1,467 1.362,468 -0.208,469 -1.129,470 -1.5,472 -2.902,473 -1.043,474 9.433,475 0.496,476 0.256,477 0.013,478 22.75,479 1.197,480 10.5,481 0.553,482 12.25,483 0.645,484 14.743,485 0.776,486 20.567,487 0.556,488 12.036,489 0.633,490 4.184,491 0.22,492 5.232,493 0.275,496 0.201,501 0.822,502 1.26,503 0.777,504 0.971,505 0.654,506 0.975,507 0.989,508 1.114,509 0.882,510 1.011,511 0.763,512 0.999,513 0.819,514 1.032,515 0.861,516 0.955,517 0.621,518 1.001,519 1.117,520 0.978,521 1.129,522 1.027,523 0.956,524 0.909,525 1.297,526 0.916,527 0.991,528 0.826,529 1.158,530 0.757,531 1.843,532 1.184,533 1.72,534 1.314,535 1.75,536 1.009,537 1.858,538 1.219,539 1.679,540 1.351,541 1.991,542 1.19,543 1.492,544 0.959,545 1.217,546 1.04,547 1.518,548 1.087,549 2.5,550 0.016,551 1.333,552 0.472,553 0.557,554 0.32,555 0.092,556 0.149,557 0.07,558 0.009,559 3828,560 8124,561 2.178,562 48.6,563 2,564 9,565 2,567 1,569 4,572 1.595,573 2.151,574 3.231,575 -0.249,577 1,579 1,582 56.388,583 1.524,584 3.183,585 3.916,586 4.27,587 4.345,588 4.345,589 2.695,590 3.722,591 4.22,592 3.349,593 572.642,594 7.15,595 5798.9,596 1,597 1,598 1,599 1,600 192.75,601 0.742,602 4.225,603 0.119,604 0.002,605 0.049,606 0.021,607 0.029,608 0.018,609 0.006,610 0.011,611 0.006,612 0.001,613 0.263,614 0.33,615 1,617 84.131,618 0.147,619 -0.073,620 0.09,621 0.015,622 0.233,623 0.009,624 0.147,625 -0.002,626 0.077,627 -0.035,628 0.118,629 -0.042,630 0.069,631 -0.086,632 0.054,633 -0.007,634 0.179,635 -0.023,636 0.013,637 -0.021,638 0.026,639 0.016,640 0.112,641 0.058,642 -0.002,643 0.074,644 0.136,645 0.175,646 0.106,647 0.184,648 -0.366,649 -0.027,650 -0.261,651 -0.09,652 -0.306,653 -0.048,654 -0.45,655 -0.083,656 -0.413,657 -0.241,658 -0.545,659 -0.247,660 -0.363,661 0.065,662 -0.299,663 -0.121,664 -0.414,665 -0.147,666 0.76,667 1.238,668 0.895,669 14.77,670 0.991,671 1.13,672 3.126,673 9.775,674 0.676,675 3.091,676 3.332,677 3.555,678 3.761,679 3.892,680 3.807,681 3.871,682 3.932,683 3.97,684 3.932,685 5.538,686 0.621,687 274.43,688 3.091,689 4.575,690 5.389,691 6.221,692 7.05,693 7.888,694 8.724,695 9.565,696 10.405,697 11.248,698 10.8,701 1,703 1,708 2,715 5,716 2,719 1,720 3,722 11,734 1,741 37,743 11,744 1,745 21,747 39,748 14,749 8,750 1,751 5,756 3,757 3,767 3,770 3,772 8,773 6,789 1,790 1,793 18,794 4,795 1,796 5,797 1,802 4,808 1,828 1,829 2,855 1,859 3,862 1,868 19,876 6,877 1,881 1,901 8.833,902 6.433,903 4.278,904 2.384,907 1.991,908 1.309,909 0.994,910 4.284,911 8.429,912 3.314,913 3.801,914 4.312,915 4.834,916 5.189,917 5.338,918 5.674,919 5.934,920 6.141,921 6.192,922 1,923 23,924 7.021,926 2.886,927 0.026,929 7.412,931 13.991,933 11.472,936 1.912,937 36.333,938 0.003,941 200.109,942 96.767,943 54.461,947 31.278,948 65.489,949 200.109,950 54.461,952 13.492,953 47.381,954 52.266,955 6.811,956 23.542,957 207.844,959 200.109,960 119.95,962 31.278,964 153.024,965 47.084,968 18.047,969 50.567,970 51.337,971 31.278,972 200.109,973 54.461,974 96.767,977 200.109,978 49.385,979 50.506,980 18.011,981 33.326,982 200.109,983 54.461,984 96.767,986 0.558,987 0.317,988 0.172,989 0.09,990 13,991 4,992 0.103,993 4,995 1,996 3.387,997 131.806,999 17,1000 72.711,1001 1,1005 12.857,1006 6.331,1007 3.441,1009 54.461,1010 10.193,1011 8.445,1014 1.615,1015 3.011,1017 18.011,1018 351.337,1019 26.5,1031 36.669,1032 41.82,1034 0.293,1035 0.611,1036 0.752,1037 0.82,1038 0.834,1039 0.834,1040 4.497,1041 1,1042 5.303,1043 2.136,1044 4.007,1045 4.483,1046 0.956,1047 5.999,1048 3.869,1049 5.621,1050 0.689,1051 6.777,1052 2.136,1053 3.219,1054 3.861,1055 0.325,1056 6.629,1057 2.921,1058 6.862,1059 0.511,1060 8.35,1061 1.686,1062 5.476,1063 6.515,1064 0.626,1065 9.712,1066 5.182,1067 8.141,1068 -0.514,1069 9.987,1070 1.219,1071 5.602,1072 6.859,1073 0.343,1074 11.258,1075 5.12,1076 9.459,1077 -0.701,1078 11.667,1079 -1.222,1080 7.217,1081 8.859,1082 0.458,1083 13.776,1084 6.761,1085 10.804,1086 -1,1087 13.377,1088 -1.575,1089 7.787,1090 9.674,1091 0.313,1092 15.692,1093 7.155,1094 12.169,1095 -1,1096 15.109,1097 -2.347,1098 9.107,1099 11.371,1100 0.351,1101 18.016,1102 8.486,1103 2.92,1104 -1.129,1105 16.857,1106 -2.347,1107 9.907,1108 12.435,1109 0.269,1110 20.095,1111 9.134,1112 2.544,1113 9.223,1114 18.616,1115 -2.902,1116 11.085,1117 13.977,1118 0.274,1119 22.35,1120 10.3,1121 2.322,1122 7.122,1123 20.385,1124 3.953,1125 12.008,1126 15.178,1127 0.224,1128 24.503,1129 11.093,1130 1.728,1131 6.647,1132 22.161,1133 3.26,1134 13.12,1135 16.64,1136 0.216,1137 26.734,1138 12.172,1139 1.487,1140 4.211,1141 23.944,1142 2.529,1143 14.108,1144 17.916,1145 0.183,1146 28.922,1147 13.049,1148 1.124,1149 3.139,1150 25.731,1151 2.343,1152 15.189,1153 19.336,1154 0.171,1155 31.145,1156 14.082,1157 1,1158 2.642,1159 27.523,1160 1.636,1161 16.213,1162 20.654,1163 0.148,1164 33.349,1165 15.007,1166 3635,1167 5456,1168 14.792,1169 25,1170 30.873,1171 30.636,1172 30.708,1173 30.669,1174 30.65,1175 38.529,1176 2.571,1177 80.32,1178 28.604,1179 5.293,1180 4.973,1181 5.983,1182 4.964,1183 4.92,1184 6.953,1185 1.556,1186 15.49,1187 4.7,1189 1.47,1190 1.459,1191 1.462,1192 1.46,1193 1.46,1194 1.835,1195 0.122,1196 3.825,1197 1.362,1198 3.963,1199 3.997,1200 4.237,1201 3.919,1202 5.04,1203 3.888,1204 3.844,1205 3.908,1206 3.739,1207 3.689,1208 4.694,1209 3.684,1210 3.651,1211 3.698,1212 3.699,1213 3.581,1214 4.351,1215 3.523,1216 3.27,1217 3.358,1218 3.138,1219 3.05,1220 3.978,1221 3.05,1222 3.111,1223 3.206,1224 2.866,1225 2.941,1226 3.674,1227 2.91,1228 2.865,1229 2.957,1230 2.731,1231 2.735,1232 3.62,1233 2.715,1234 2.854,1235 2.925,1236 2.687,1237 2.708,1238 3.474,1239 2.7,1240 2.696,1241 2.787,1242 2.526,1243 2.474,1244 3.422,1245 2.451,1246 0.204,1247 0.142,1248 0.294,1249 0.183,1250 0.139,1251 4.293,1252 0.188,1253 2.973,1254 0.042,1255 6.181,1256 0.439,1257 3.836,1258 0.129,1259 2.92,1260 3.953,1261 0.886,1262 9.223,1263 2.7,1264 1.899,1265 1.875,1266 2.052,1267 2.02,1268 1.405,1269 2.035,1270 1.824,1271 1.757,1272 2.009,1273 1.969,1274 1.09,1275 1.988,1276 1.409,1277 1.357,1278 1.605,1279 1.66,1280 0.842,1281 1.66,1282 1.168,1283 1.135,1284 1.513,1285 1.376,1286 0.825,1287 1.429,1288 1.153,1289 1.064,1290 1.243,1291 1.352,1292 0.501,1293 1.311,1294 1.016,1295 0.935,1296 1.201,1297 1.228,1298 0.385,1299 1.278,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.679,1307 0.569,1308 0.931,1309 0.969,1310 0.085,1311 1.008,1312 3.761,1314 5.017,1315 2.398,1316 6.466,1317 4.595,1318 7.993,1319 6.581,1320 9.557,1328 7.256,1329 3.375,1333 2.438,1340 22.96,1341 56.388,1342 117.756,1343 144.875,1344 157.995,1345 160.75,1346 160.75,1347 19.678,1348 6.438,1349 41.05,1350 69.29,1351 17,1352 11.812,1353 3.585,1354 2.7,1355 28.036,1356 63,1357 54,1358 0.218,1359 146.554,1360 241.19,1361 349.352,1362 5000,1364 12.916,1365 0.68,1366 0.616,1367 13.27,1368 11.696,1369 9.416,1370 0.448,1371 0.361,1372 6.76,1373 8.693,1374 6.564,1375 5.461,1376 9.824,1377 7.585,1378 7.919,1379 0.293,1380 0.214,1381 8.587,1382 5.769,1383 6.606,1384 0.194,1385 0.126,1386 7.397,1387 4.278,1388 5.357,1389 0.128,1390 0.072,1391 6.138,1392 3.026,1393 4.101,1394 0.085,1395 0.043,1396 4.733,1397 2.07,1398 0.346,1399 62.552,1400 0.26,1401 19.479,1402 0.581,1403 96,1404 240.129,1405 130.646,1406 258.248,1407 360.41,1408 244,1409 109,1410 256.008,1411 139.541,1412 275.565,1413 401.17,1414 259,1415 4.268}
{0 CHEMBL1084788,1 1.416,2 10.05,3 2.899,4 8.402,5 82.459,6 6.907,7 0.545,8 3.757,9 3.904,10 3.276,11 3.262,12 4.772,13 3.232,14 4.304,15 4.516,16 3.555,17 3.637,18 5.237,19 3.568,20 4.56,21 4.826,22 3.527,23 3.728,24 5.382,25 3.608,26 4.53,27 4.834,28 3.317,29 3.558,30 5.338,31 3.42,32 4.323,33 4.628,34 3.231,35 3.353,36 5.174,37 3.251,38 4.081,39 4.358,40 3.113,41 3.178,42 5.007,43 3.115,44 3.901,45 4.147,46 2.941,47 3.089,48 4.849,49 3.015,50 3.845,51 4.102,52 2.727,53 3.044,54 4.671,55 2.915,56 0.056,57 0.626,58 8.823,59 3.252,60 7.195,61 4.849,62 0.226,63 0.967,64 16.336,65 5.375,66 16.084,67 8.178,68 0.212,69 1.102,70 21.853,71 6.999,72 20.028,73 11.022,74 0.28,75 0.99,76 22.022,77 6.032,78 25.278,79 10.027,80 0.217,81 0.819,82 17.924,83 4.529,84 21.584,85 7.815,86 0.185,87 0.688,88 13.89,89 2.943,90 18,91 5.431,92 0.158,93 0.599,94 11.312,95 2.565,96 15.417,97 4.541,98 0.113,99 0.534,100 10.583,101 3.187,102 12.417,103 5.097,105 28,106 0.255,107 0.587,108 0.731,109 0.791,110 0.804,111 0.804,112 3.056,113 0.972,114 -4.15,115 -4.09,116 -3.87,121 38.5,123 3,127 2,128 1,144 5,145 1,147 1,148 1,152 1,168 1,176 8,179 1,180 3,183 3,187 7,191 1,192 5,195 1,200 3,205 2,206 6,211 2,218 1,219 5,224 2,232 6,237 2,244 5,249 2,256 3,261 1,269 2,277 2,281 476,282 14.052,283 14.052,284 14.052,285 14.052,286 14.052,287 12.64,288 12.173,289 8.757,290 14.364,291 10.904,292 10.904,293 10.904,294 10.904,295 10.904,296 8.877,297 17.115,298 4.215,299 11.408,300 3.87,301 2.023,302 1.228,303 0.891,304 0.821,305 0.821,306 3.747,310 1,311 1,312 1,313 438,314 2,318 205.958,325 1.75,326 9.644,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 42.5,338 201,339 4.244,340 2.923,341 6.143,342 3.845,343 2.871,344 3.889,345 0.886,346 9.055,347 2.803,348 3.81,349 2.837,350 5.415,351 3.486,352 2.565,353 3.303,354 0.4,355 7.169,356 2.36,357 3.499,358 2.503,359 5.242,360 3.292,361 2.363,362 2.612,364 6.685,365 2.193,366 3.255,367 1.849,368 4.444,369 2.795,370 1.819,371 2.473,373 4.51,374 1.771,375 2.655,376 1.568,377 3.641,378 2.473,379 1.497,380 1.721,382 3.15,383 1.457,384 2.5,385 1.215,386 3.503,387 2.158,388 1.177,389 1.5,391 2.715,392 1.152,393 2.5,394 1.077,395 3.414,396 2,397 1,398 1.5,400 2.275,401 1,402 2.496,403 1,404 3.247,405 1.984,406 1,407 1.496,409 2.136,410 0.983,411 2,412 1,413 3.247,414 1.943,415 1,416 1,418 2.136,419 0.941,420 1.752,421 0.868,422 3.098,423 1.556,424 0.635,425 0.692,427 1.488,428 0.584,429 1.037,430 -0.098,431 2.452,432 0.716,433 -0.238,434 -0.282,436 -0.561,437 -0.227,438 0.629,439 -0.56,440 2.121,441 0.327,442 -0.645,443 -0.731,445 -1.439,446 -0.624,447 0.5,448 -0.784,449 2,450 0.064,451 -0.911,452 -1,454 -1.969,455 -0.884,456 0.5,457 -0.854,458 1.555,460 -1,461 -1.164,463 -2.347,464 -0.926,465 0.348,466 -1,467 1.555,468 -0.049,469 -1,470 -1.5,472 -2.347,473 -0.946,474 9.5,475 0.475,476 0.256,477 0.013,478 25.75,479 1.288,480 12.5,481 0.625,482 13.25,483 0.663,484 13.699,485 0.685,486 21.7,487 0.556,488 15.126,489 0.756,490 4.956,491 0.248,492 4.959,493 0.248,496 0.2,501 0.827,502 1.447,503 0.847,504 1.185,505 0.658,506 1.045,507 0.981,508 1.016,509 1.024,510 1.037,511 0.71,512 1.036,513 0.858,514 1.118,515 0.947,516 1.077,517 0.674,518 1.032,519 1.153,520 0.927,521 0.972,522 0.876,523 1.047,524 0.898,525 1.257,526 0.982,527 0.85,528 0.763,529 1.209,530 0.756,531 1.902,532 1.05,533 1.074,534 0.736,535 1.875,536 0.789,537 2.103,538 1.068,539 1.373,540 0.918,541 2.269,542 1.031,543 1.398,544 1.024,545 1.269,546 1.084,547 1.53,548 1.148,549 2.5,550 0.008,551 1.556,552 0.375,553 0.444,554 0.431,555 0.16,556 0.095,557 0.114,558 0.056,559 4508,560 9314,561 2.169,562 48.7,563 2,564 9,565 2,566 1,567 1,569 4,572 1.609,573 2.143,574 3.322,575 -0.271,577 1,579 1,582 55.207,583 1.416,584 3.262,585 4.058,586 4.394,587 4.465,588 4.465,589 2.746,590 3.584,591 4.293,592 3.457,593 656.916,594 7.289,595 6982.82,596 1,597 1,598 1,599 1,600 206.131,601 0.722,602 4.3,603 0.114,604 0.001,605 0.056,606 0.014,607 0.022,608 0.023,609 0.009,610 0.007,611 0.01,612 0.006,613 0.262,614 0.67,615 1,617 90.842,618 0.126,619 -0.19,620 0.077,621 -0.089,622 0.212,623 -0.024,624 0.144,625 0.128,626 -0.059,627 -0.036,628 0.186,629 -0.068,630 0.097,631 -0.14,632 0.023,633 -0.095,634 0.218,635 -0.053,636 0.005,637 -0.005,638 0.037,639 0.026,640 0.067,641 0.034,642 -0.003,643 -0.053,644 0.174,645 0.119,646 0.057,647 0.161,648 -0.341,649 -0.008,650 -0.031,651 0.103,652 -0.31,653 0.08,654 -0.54,655 0.059,656 -0.351,657 -0.051,658 -0.671,659 -0.157,660 -0.317,661 0.003,662 -0.296,663 -0.123,664 -0.439,665 -0.193,666 1.074,667 1.328,668 0.9,669 17.4,670 0.992,671 1.138,672 2.918,673 8.517,674 0.65,675 3.135,676 3.367,677 3.584,678 3.761,679 3.97,680 3.85,681 3.932,682 3.97,683 4.043,684 4.043,685 5.933,686 0.61,687 269.39,688 3.135,689 4.615,690 5.425,691 6.248,692 7.071,693 7.899,694 8.727,695 9.558,696 10.388,697 11.22,698 12.8,701 1,703 1,708 3,713 1,715 6,716 3,720 3,722 12,734 1,741 39,743 12,744 1,745 22,747 41,748 15,749 9,750 1,751 5,756 3,757 3,767 3,770 3,772 9,773 6,789 1,790 1,793 19,794 5,795 1,796 5,802 5,808 1,829 3,855 1,859 3,868 20,876 6,877 1,881 1,901 9.333,902 6.8,903 4.528,904 2.501,907 2.179,908 1.334,909 0.984,910 4.315,911 8.707,912 3.367,913 3.85,914 4.357,915 4.856,916 5.39,917 5.451,918 5.841,919 6.109,920 6.373,921 6.569,922 0.857,923 26,924 7.372,926 3.013,927 0.026,929 7.475,931 14.537,933 11.731,936 1.975,937 39.5,938 0.001,941 211.88,942 77.762,943 71.247,948 77.762,949 211.88,950 71.247,952 13.492,953 47.381,954 79.893,955 18.114,956 25.441,957 176.567,959 211.88,960 149.009,964 164.795,965 47.084,968 30.319,969 50.567,970 68.122,972 211.88,973 71.247,974 77.762,977 211.88,978 21.333,979 59.553,980 18.011,981 50.112,982 211.88,983 71.247,984 77.762,986 0.557,987 0.316,988 0.168,989 0.092,990 13,991 4,992 0.098,993 4,995 1,996 3.492,997 140.248,999 18,1000 78.439,1005 13.166,1006 6.554,1007 3.605,1009 71.247,1010 11.734,1011 12.688,1015 2.43,1017 18.011,1018 360.888,1019 28,1031 38.694,1032 44.398,1034 0.268,1035 0.617,1036 0.768,1037 0.831,1038 0.845,1039 0.845,1040 4.543,1041 1,1042 5.333,1043 2.275,1044 4.043,1045 4.533,1046 0.956,1047 6.014,1048 3.955,1049 5.665,1050 1,1051 6.799,1052 2.136,1053 3.219,1054 3.861,1055 0.325,1056 6.629,1057 3.052,1058 6.901,1059 0.635,1060 8.365,1061 2.136,1062 5.501,1063 6.559,1064 0.626,1065 9.691,1066 5.319,1067 8.173,1068 -0.238,1069 9.995,1070 1.488,1071 5.565,1072 6.776,1073 0.343,1074 11.212,1075 5.309,1076 9.481,1077 -0.645,1078 11.668,1079 -0.561,1080 7.219,1081 8.881,1082 0.458,1083 13.712,1084 6.952,1085 10.814,1086 -0.911,1087 13.371,1088 -1.439,1089 7.727,1090 9.552,1091 0.313,1092 15.604,1093 7.41,1094 12.166,1095 -1,1096 15.095,1097 -1.969,1098 9.073,1099 11.351,1100 0.351,1101 17.906,1102 8.74,1103 2.871,1104 -1,1105 16.835,1106 -2.347,1107 9.821,1108 12.285,1109 0.269,1110 19.963,1111 9.454,1112 2.565,1113 9.055,1114 18.587,1115 -2.347,1116 11.01,1117 13.908,1118 0.274,1119 22.194,1120 10.625,1121 2.363,1122 7.169,1123 20.348,1124 3.889,1125 11.89,1126 15.001,1127 0.224,1128 24.326,1129 11.483,1130 1.819,1131 6.685,1132 22.116,1133 3.303,1134 13,1135 16.518,1136 0.216,1137 26.533,1138 12.574,1139 1.497,1140 4.51,1141 23.89,1142 2.612,1143 13.953,1144 17.711,1145 0.183,1146 28.701,1147 13.51,1148 1.177,1149 3.15,1150 25.67,1151 2.473,1152 15.025,1153 19.163,1154 0.171,1155 30.901,1156 14.564,1157 1,1158 2.715,1159 27.454,1160 1.721,1161 16.019,1162 20.419,1163 0.148,1164 33.086,1165 15.542,1166 4271,1167 6288,1168 15.485,1169 25.358,1170 31.969,1171 31.862,1172 31.878,1173 31.879,1174 31.851,1175 40.375,1176 2.571,1177 82.635,1178 30.486,1179 5.244,1180 4.923,1181 5.945,1182 4.913,1183 4.871,1184 6.889,1185 1.556,1186 15.119,1187 4.803,1189 1.453,1190 1.448,1191 1.449,1192 1.449,1193 1.448,1194 1.835,1195 0.117,1196 3.756,1197 1.386,1198 3.967,1199 4.014,1200 3.919,1201 3.878,1202 5.124,1203 3.879,1204 3.847,1205 3.912,1206 3.722,1207 3.688,1208 4.712,1209 3.684,1210 3.681,1211 3.746,1212 3.616,1213 3.475,1214 4.356,1215 3.508,1216 3.306,1217 3.396,1218 3.158,1219 3.086,1220 4.117,1221 3.094,1222 3.111,1223 3.206,1224 2.866,1225 2.941,1226 3.986,1227 2.91,1228 2.936,1229 3.018,1230 2.817,1231 2.76,1232 3.674,1233 2.767,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 3.669,1239 2.715,1240 2.72,1241 2.813,1242 2.525,1243 2.51,1244 3.474,1245 2.498,1246 0.193,1247 0.133,1248 0.279,1249 0.175,1250 0.13,1251 4.244,1252 0.177,1253 2.923,1254 0.04,1255 6.143,1256 0.412,1257 3.845,1258 0.127,1259 2.871,1260 3.889,1261 0.886,1262 9.055,1263 2.803,1264 1.926,1265 1.897,1266 2.054,1267 2.05,1268 1.405,1269 2.047,1270 1.825,1271 1.757,1272 2.031,1273 2.004,1274 1.099,1275 2.017,1276 1.593,1277 1.53,1278 1.705,1279 1.823,1280 0.839,1281 1.8,1282 1.269,1283 1.184,1284 1.521,1285 1.527,1286 0.825,1287 1.535,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.581,1293 1.429,1294 0.91,1295 0.837,1296 1.22,1297 1.159,1298 0.435,1299 1.183,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.73,1307 0.634,1308 1.039,1309 0.957,1310 0.101,1311 0.991,1312 3.807,1314 5.056,1316 6.515,1318 8.055,1320 9.632,1328 7.027,1329 3.234,1333 2.387,1340 23.795,1341 55.207,1342 127.237,1343 158.256,1344 171.376,1345 174.131,1346 174.131,1347 21.039,1348 6.528,1349 53.94,1350 53.94,1351 18,1352 11.792,1353 3.7,1354 2.807,1355 30.261,1356 72,1357 60,1358 0.207,1359 148.882,1360 248.34,1361 355.033,1362 5637,1364 13.623,1365 0.681,1366 0.575,1367 13.623,1368 11.496,1369 9.916,1370 0.451,1371 0.324,1372 7.034,1373 9.552,1374 6.914,1375 5.762,1376 9.916,1377 7.131,1378 8.26,1379 0.295,1380 0.18,1381 8.26,1382 5.047,1383 6.916,1384 0.198,1385 0.101,1386 6.916,1387 3.541,1388 5.501,1389 0.131,1390 0.057,1391 5.501,1392 2.397,1393 4.511,1394 0.087,1395 0.032,1396 4.511,1397 1.65,1398 0.332,1399 61.924,1400 0.254,1401 20.52,1402 0.544,1403 100,1404 258.913,1405 109.186,1406 256.102,1407 357.57,1408 242,1409 113,1410 270.73,1411 123.158,1412 274.435,1413 395.34,1414 258,1415 4.222}
{0 CHEMBL1084789,1 1.395,2 10.05,3 2.583,4 6.67,5 80.472,6 6.62,7 0.273,8 3.804,9 3.958,10 3.283,11 3.286,12 4.762,13 3.25,14 4.368,15 4.59,16 3.565,17 3.673,18 5.256,19 3.596,20 4.621,21 4.89,22 3.543,23 3.772,24 5.409,25 3.645,26 4.611,27 4.915,28 3.339,29 3.627,30 5.366,31 3.477,32 4.471,33 4.788,34 3.253,35 3.458,36 5.229,37 3.325,38 4.253,39 4.548,40 3.138,41 3.296,42 5.069,43 3.197,44 4.1,45 4.376,46 2.965,47 3.213,48 4.912,49 3.1,50 4.053,51 4.346,52 2.747,53 3.154,54 4.759,55 2.989,56 0.072,57 0.65,58 9.839,59 3.394,60 6.951,61 5.274,62 0.251,63 1.006,64 18.059,65 5.649,66 16.896,67 8.909,68 0.242,69 1.143,70 23.464,71 7.114,72 20.863,73 11.604,74 0.299,75 1.035,76 23.68,77 6.313,78 24.126,79 10.823,80 0.242,81 0.886,82 20.65,83 5.219,84 21.531,85 9.232,86 0.208,87 0.756,88 16.623,89 3.656,90 18.153,91 6.893,92 0.176,93 0.666,94 14.106,95 3.427,96 14.929,97 6.134,98 0.135,99 0.593,100 13.273,101 4.003,102 12.705,103 6.553,105 28,106 0.25,107 0.587,108 0.741,109 0.799,110 0.811,111 0.811,112 3.056,113 0.996,114 -3.96,115 -3.92,116 -3.71,121 36.6,123 3,127 3,128 1,144 5,145 1,159 1,161 1,172 1,176 8,180 3,183 3,184 1,187 7,191 1,192 4,195 1,197 1,200 3,205 1,206 4,209 1,211 4,218 1,219 3,224 4,232 3,237 5,244 4,249 3,256 3,261 1,269 2,277 2,281 476,282 14.052,283 14.052,284 14.052,285 14.052,286 14.052,287 12.795,288 14.544,289 8.757,290 14.364,291 10.904,292 10.904,293 10.904,294 10.904,295 10.904,296 9.114,297 16.861,298 4.215,299 11.408,300 3.962,301 2.08,302 1.216,303 0.896,304 0.829,305 0.829,306 3.747,310 1,311 1,312 1,313 438,314 2,318 205.958,325 1.75,326 9.642,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 42.5,338 201,339 4.232,340 3.266,341 6.143,342 3.845,343 2.871,344 3.749,345 1.279,346 9.055,347 2.803,348 3.811,349 2.933,350 5.415,351 3.486,352 2.565,353 3.116,354 0.915,355 7.169,356 2.36,357 3.495,358 2.747,359 5.242,360 3.292,361 2.363,362 2.59,363 0.848,364 6.685,365 2.193,366 3.295,367 2.048,368 4.444,369 2.795,370 1.819,371 2.47,372 0.264,373 4.51,374 1.771,375 2.665,376 1.6,377 3.641,378 2.473,379 1.497,380 1.684,381 0.038,382 3.15,383 1.457,384 2.508,385 1.405,386 3.503,387 2.158,388 1.177,389 1.5,391 2.715,392 1.152,393 2.5,394 1.285,395 3.414,396 2,397 1,398 1.499,400 2.275,401 1,402 2.138,403 1.077,404 3.247,405 1.984,406 1,407 1.083,409 2.136,410 0.983,411 2,412 1,413 3.247,414 1.943,415 1,416 1,418 2.136,419 0.941,420 1.705,421 0.991,422 3.098,423 1.556,424 0.635,425 0.668,427 1.488,428 0.584,429 0.882,430 -0.021,431 2.452,432 0.716,433 -0.238,434 -0.25,436 -0.561,437 -0.227,438 0.615,439 -0.271,440 2.121,441 0.327,442 -0.645,443 -0.702,445 -1.439,446 -0.624,447 0.527,448 -0.487,449 2,450 0.064,451 -0.911,452 -1,454 -1.969,455 -0.884,456 0.5,457 -0.775,458 1.555,460 -1,461 -1.103,463 -2.347,464 -0.926,465 0.204,466 -0.784,467 1.555,468 -0.049,469 -1,470 -1.267,472 -2.347,473 -0.946,474 9.5,475 0.475,476 0.256,477 0.013,478 22.25,479 1.113,480 9,481 0.45,482 13.25,483 0.663,484 15.589,485 0.779,486 22.3,487 0.544,488 13.235,489 0.662,490 4.45,491 0.223,492 5.466,493 0.273,496 0.2,501 0.931,502 1.472,503 0.908,504 1.202,505 0.789,506 1.075,507 1.077,508 1.034,509 1.069,510 1.047,511 0.932,512 1.055,513 0.983,514 1.146,515 1.018,516 1.1,517 0.853,518 1.069,519 1.204,520 0.972,521 1.033,522 0.935,523 1.068,524 0.959,525 1.175,526 0.965,527 0.854,528 0.79,529 1.093,530 0.784,531 1.709,532 1.025,533 1.053,534 0.784,535 1.536,536 0.829,537 1.75,538 1.024,539 1.245,540 0.932,541 1.766,542 1.012,543 1.156,544 0.928,545 1.1,546 0.986,547 1.227,548 1.028,549 2.5,550 0.008,551 1.556,552 0.375,553 0.444,554 0.431,555 0.16,556 0.095,557 0.114,558 0.056,559 4508,560 8885,561 2.169,562 51.2,563 2,564 11,565 2,567 2,569 4,572 1.609,573 2.143,574 3.322,575 0.361,577 1,579 1,582 57.208,583 1.395,584 3.278,585 4.141,586 4.461,587 4.528,588 4.528,589 2.746,590 3.584,591 4.293,592 3.457,593 656.916,594 7.289,595 6982.82,596 1,597 1,599 1,600 219.66,601 0.722,602 4.3,603 0.114,604 0.001,605 0.056,606 0.014,607 0.022,608 0.023,609 0.009,610 0.007,611 0.01,612 0.006,613 0.262,614 0.67,615 1,617 90.842,618 0.1,619 -0.16,620 0.073,621 -0.063,622 0.142,623 -0.008,624 0.112,625 0.139,626 -0.071,627 -0.029,628 0.079,629 -0.066,630 0.041,631 -0.133,632 -0.038,633 -0.119,634 0.114,635 -0.093,636 -0.027,637 -0.033,638 -0.033,639 -0.035,640 0.029,641 -0.035,642 0.015,643 -0.063,644 0.153,645 0.09,646 0.081,647 0.131,648 -0.262,649 -0.03,650 -0.017,651 0.07,652 -0.184,653 0.059,654 -0.371,655 0.022,656 -0.224,657 -0.035,658 -0.387,659 -0.1,660 -0.182,661 0.02,662 -0.126,663 -0.026,664 -0.208,665 -0.063,666 0.893,667 1.509,668 0.9,669 17.4,670 0.99,671 1.142,672 2.733,673 7.469,674 0.637,675 3.135,676 3.367,677 3.584,678 3.761,679 3.97,680 3.85,681 3.932,682 3.97,683 4.043,684 4.043,685 5.933,686 0.593,687 271.41,688 3.135,689 4.615,690 5.425,691 6.248,692 7.071,693 7.899,694 8.727,695 9.558,696 10.388,697 11.22,698 12.2,700 2,701 1,707 2,715 5,720 1,722 6,741 41,743 8,744 1,745 22,747 43,748 15,749 6,750 1,751 5,752 1,756 3,757 3,759 1,760 1,767 3,770 3,772 8,773 7,777 2,785 2,786 2,789 1,790 1,793 21,794 5,795 2,796 5,802 5,808 1,829 3,853 1,855 1,859 3,868 20,876 7,877 2,881 1,901 9.333,902 7.017,903 4.528,904 2.599,907 1.661,908 1.254,909 0.987,910 4.537,911 8.189,912 3.332,913 3.773,914 4.201,915 4.631,916 5.096,917 5.068,918 5.389,919 5.559,920 5.782,921 5.959,922 0.857,923 26,924 7.395,926 3.024,927 0.026,929 7.425,931 14.702,933 11.954,936 1.925,937 38.5,938 0.002,941 223.651,942 70.82,943 72.472,948 70.82,949 223.651,950 72.472,952 15.598,953 83.28,954 2.757,955 39.758,956 25.441,957 200.109,959 223.651,960 143.292,964 176.567,965 47.084,968 88.069,969 55.223,972 223.651,973 72.472,974 70.82,977 223.651,978 23.439,979 50.506,980 35.899,981 33.449,982 223.651,983 72.472,984 70.82,986 0.557,987 0.316,988 0.168,989 0.092,990 13,991 4,992 0.093,993 4,995 1,996 3.492,997 140.248,999 18,1000 78.439,1005 13.438,1006 6.753,1007 3.739,1009 72.472,1010 10.164,1015 1.124,1017 35.899,1018 366.943,1019 27,1027 8.908,1028 1.754,1031 40.578,1032 46.813,1034 0.26,1035 0.612,1036 0.773,1037 0.833,1038 0.845,1039 0.845,1040 4.527,1041 1,1042 5.333,1043 2.275,1044 4.043,1045 4.454,1046 1.924,1047 6.014,1048 3.955,1049 5.643,1050 1,1051 6.799,1052 2.136,1053 3.219,1054 3.795,1055 0.81,1056 6.629,1057 3.052,1058 6.885,1059 0.635,1060 8.365,1061 2.136,1062 5.501,1063 6.402,1064 1.946,1065 9.691,1066 5.319,1067 8.159,1068 -0.238,1069 9.995,1070 1.488,1071 5.565,1072 6.617,1073 1.231,1074 11.212,1075 5.309,1076 9.469,1077 -0.645,1078 11.668,1079 -0.561,1080 7.219,1081 8.642,1082 2.137,1083 13.712,1084 6.952,1085 10.802,1086 -0.911,1087 13.371,1088 -1.439,1089 7.727,1090 9.298,1091 1.652,1092 15.604,1093 7.41,1094 12.155,1095 -1,1096 15.095,1097 -1.969,1098 9.073,1099 11.033,1100 2.426,1101 17.906,1102 8.74,1103 2.871,1104 -1,1105 16.835,1106 -2.347,1107 9.821,1108 11.943,1109 2.114,1110 19.963,1111 9.454,1112 2.565,1113 9.055,1114 18.587,1115 -2.347,1116 11.01,1117 13.515,1118 2.781,1119 22.194,1120 10.625,1121 2.363,1122 7.169,1123 20.348,1124 3.749,1125 11.89,1126 14.579,1127 2.603,1128 24.326,1129 11.483,1130 1.819,1131 6.685,1132 22.116,1133 3.116,1134 13,1135 16.054,1136 3.179,1137 26.533,1138 12.574,1139 1.497,1140 4.51,1141 23.89,1142 2.59,1143 13.953,1144 17.214,1145 3.106,1146 28.701,1147 13.51,1148 1.177,1149 3.15,1150 25.67,1151 2.47,1152 15.025,1153 18.63,1154 3.606,1155 30.901,1156 14.564,1157 1,1158 2.715,1159 27.454,1160 1.684,1161 16.019,1162 19.849,1163 3.614,1164 33.086,1165 15.542,1166 4271,1167 6120,1168 15.485,1169 26.12,1170 32.153,1171 31.904,1172 31.878,1173 31.879,1174 31.851,1175 38.719,1176 6.688,1177 82.635,1178 30.486,1179 5.232,1180 5.266,1181 5.945,1182 4.913,1183 4.871,1184 6.749,1185 2.383,1186 15.119,1187 4.803,1189 1.462,1190 1.45,1191 1.449,1192 1.449,1193 1.448,1194 1.76,1195 0.304,1196 3.756,1197 1.386,1198 3.958,1199 4.006,1200 3.897,1201 3.871,1202 4.947,1203 3.869,1204 3.847,1205 3.912,1206 3.723,1207 3.688,1208 4.691,1209 3.684,1210 3.67,1211 3.742,1212 3.591,1213 3.451,1214 4.358,1215 3.48,1216 3.315,1217 3.406,1218 3.168,1219 3.093,1220 4.16,1221 3.101,1222 3.111,1223 3.206,1224 2.866,1225 2.941,1226 3.823,1227 2.91,1228 2.969,1229 3.05,1230 2.854,1231 2.784,1232 3.674,1233 2.792,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 3.62,1239 2.715,1240 2.76,1241 2.873,1242 2.558,1243 2.537,1244 3.474,1245 2.523,1246 0.192,1247 0.148,1248 0.279,1249 0.175,1250 0.13,1251 4.232,1252 0.17,1253 3.266,1254 0.058,1255 6.143,1256 0.412,1257 3.845,1258 0.127,1259 2.871,1260 3.749,1261 1.279,1262 9.055,1263 2.803,1264 1.921,1265 1.891,1266 2.054,1267 2.047,1268 1.405,1269 2.047,1270 1.825,1271 1.757,1272 2.032,1273 2.005,1274 1.122,1275 2.018,1276 1.588,1277 1.517,1278 1.74,1279 1.83,1280 0.862,1281 1.815,1282 1.278,1283 1.191,1284 1.55,1285 1.54,1286 0.825,1287 1.551,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.773,1293 1.429,1294 0.935,1295 0.862,1296 1.233,1297 1.187,1298 0.45,1299 1.208,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.76,1307 0.664,1308 1.071,1309 1.043,1310 0.171,1311 1.045,1312 3.807,1314 5.056,1316 6.515,1318 8.055,1320 9.632,1328 7.801,1329 6.328,1333 2.421,1340 24.321,1341 57.208,1342 134.382,1343 169.785,1344 182.905,1345 185.66,1346 185.66,1347 21.364,1348 6.528,1349 52.02,1350 52.02,1351 18,1352 11.792,1353 3.17,1354 2.585,1355 30.261,1356 72,1357 60,1358 0.207,1359 151.81,1360 261.88,1361 362.176,1362 5637,1364 13.623,1365 0.681,1366 0.584,1367 13.623,1368 11.678,1369 9.916,1370 0.451,1371 0.332,1372 7.203,1373 9.552,1374 7.076,1375 5.884,1376 9.916,1377 7.304,1378 8.26,1379 0.295,1380 0.186,1381 8.26,1382 5.215,1383 6.916,1384 0.198,1385 0.106,1386 6.916,1387 3.71,1388 5.501,1389 0.131,1390 0.06,1391 5.501,1392 2.531,1393 4.511,1394 0.087,1395 0.034,1396 4.511,1397 1.756,1398 0.332,1399 61.924,1400 0.254,1401 20.52,1402 0.544,1403 100,1404 243.601,1405 109.186,1406 240.154,1407 335.57,1408 228,1409 113,1410 251.367,1411 123.158,1412 254.877,1413 368.42,1414 240,1415 4.328}
{0 CHEMBL1084790,1 1.363,2 13.185,3 4.258,4 18.13,5 109.326,6 6.695,7 0.533,8 4.061,9 4.193,10 3.549,11 3.637,12 5.034,13 3.585,14 4.637,15 4.83,16 3.893,17 4.049,18 5.538,19 3.967,20 4.931,21 5.169,22 3.875,23 4.188,24 5.79,25 4.058,26 5.008,27 5.282,28 3.719,29 4.145,30 5.785,31 3.972,32 4.896,33 5.178,34 3.663,35 4.035,36 5.704,37 3.87,38 4.809,39 5.069,40 3.609,41 3.977,42 5.675,43 3.822,44 4.725,45 4.983,46 3.471,47 3.898,48 5.568,49 3.729,50 4.644,51 4.917,52 3.342,53 3.794,54 5.398,55 3.614,56 0.05,57 0.776,58 12.273,59 5.181,60 6.905,61 7.296,62 0.162,63 1.311,64 22.769,65 8.811,66 15.637,67 12.699,68 0.252,69 1.627,70 31.441,71 11.64,72 33.292,73 16.905,74 0.267,75 1.634,76 34.449,77 13.103,78 37.076,79 18.922,80 0.279,81 1.447,82 30.876,83 11.789,84 36.284,85 17.053,86 0.281,87 1.334,88 28.231,89 10.766,90 36.083,91 15.33,92 0.268,93 1.23,94 25.902,95 9.958,96 36.543,97 14.19,98 0.176,99 1.14,100 23.775,101 9.162,102 25.524,103 13.27,104 5,105 41,106 0.225,107 0.554,108 0.747,109 0.825,110 0.833,111 0.833,112 3.339,113 0.993,114 -4.73,115 -4.65,116 -4.37,121 42.6,122 1,123 4,124 1,127 3,144 8,145 2,148 1,154 1,159 1,163 1,176 13,180 7,183 1,185 2,187 13,192 8,197 2,200 9,206 6,211 1,214 8,218 1,219 5,227 12,232 1,235 1,237 1,239 12,243 1,244 3,249 1,251 10,256 4,261 1,264 6,269 2,274 2,277 5,281 1128,282 18.463,283 18.463,284 18.463,285 18.463,286 18.463,287 16.459,288 16.293,289 11.038,290 18.672,291 14.848,292 14.848,293 14.848,294 14.848,295 14.848,296 11.825,297 17.324,298 5.327,299 15.175,300 4.392,301 2.404,302 1.241,303 0.769,304 0.718,305 0.718,306 4.04,311 1,312 1,313 786,314 3.082,317 72.127,318 274.102,321 125.205,325 2.118,326 17.873,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 56.5,338 356,339 4.499,340 3.605,341 6.302,342 4.012,343 3.036,344 4.441,345 1.277,346 9.635,347 2.979,348 4.017,349 3.018,350 5.934,351 3.71,352 2.737,353 3.462,354 0.916,355 8.298,356 2.675,357 3.94,358 2.999,359 5.616,360 3.644,361 2.653,362 3.456,363 0.172,364 7.785,365 2.606,366 3.6,367 2.557,368 5.329,369 3.452,370 2.454,371 2.655,373 6.94,374 2.448,375 3.33,376 2.244,377 4.955,378 3.034,379 2.079,380 2.594,382 5.869,383 1.975,384 3.168,385 2.211,386 4.806,387 2.889,388 1.925,389 2.284,391 5.311,392 1.848,393 3.022,394 1.774,395 4.448,396 2.495,397 1.527,398 2.235,400 4.381,401 1.476,402 2.845,403 1.52,404 4.142,405 2.434,406 1.436,407 1.951,409 3.642,410 1.43,411 2.782,412 1.517,413 3.592,414 2.373,415 1.367,416 1.825,418 3.038,419 1.371,420 2.5,421 1.089,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2,430 1.077,431 3.247,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.913,439 1,440 3.19,441 1.618,442 0.609,443 0.72,445 1.432,446 0.611,447 1.743,448 0.456,449 3.071,450 1.331,451 0.366,452 0.509,454 0.947,455 0.352,456 1.216,457 0.363,458 2.766,459 1.027,460 0.04,461 0.045,463 0.099,464 0.039,465 0.886,466 -0.087,467 2.394,468 0.495,469 -0.493,470 -0.57,472 -1.167,473 -0.483,474 13.033,475 0.483,476 0.588,477 0.022,478 32.5,479 1.204,480 15.5,481 0.574,482 17,483 0.63,484 24.078,485 0.892,486 28.967,487 0.536,488 20.991,489 0.777,490 6.085,491 0.225,492 7.084,493 0.262,494 0.064,496 0.299,501 0.742,502 1.295,503 0.883,504 1.093,505 0.562,506 1.012,507 0.862,508 1.167,509 0.967,510 1.062,511 0.558,512 1.023,513 1.169,514 1.068,515 1.12,516 1.071,517 0.973,518 1.082,519 1.036,520 1.005,521 1.017,522 1.036,523 1.123,524 1.031,525 0.854,526 0.887,527 0.883,528 0.929,529 1.01,530 0.915,531 1.161,532 0.951,533 1.028,534 1.02,535 1.515,536 1.021,537 1.16,538 0.984,539 1.105,540 1.059,541 1.522,542 1.085,543 0.933,544 1.051,545 1.034,546 1.069,547 1.082,548 1.068,549 5.5,550 0.131,551 2.444,552 1.417,553 1.142,554 0.67,555 0.453,556 0.267,557 0.168,558 0.148,559 10899,560 23019,561 2.142,562 50,563 3,564 14,567 1,568 5,569 4,572 1.692,573 2.051,574 3.678,575 -0.419,577 1,582 73.585,583 1.363,584 3.351,585 4.514,586 4.986,587 5.037,588 5.037,589 3.134,590 4.385,591 4.727,592 3.847,593 1350.46,594 8.157,595 18475.2,597 1,599 1,600 310.764,601 1.218,602 4.706,603 0.183,604 0.007,605 0.06,606 0.037,607 0.037,608 0.022,609 0.016,610 0.011,611 0.008,612 0.007,613 0.389,614 0.33,615 1,616 0.454,617 137.794,618 0.009,619 -0.11,620 0.062,621 -0.011,622 0.008,623 0.022,624 0.025,625 -0.048,626 0.002,627 -0.045,628 0.062,629 -0.027,630 -0.128,631 -0.033,632 -0.136,633 -0.088,634 -0.017,635 -0.106,636 -0.043,637 -0.072,638 -0.036,639 -0.054,640 -0.026,641 -0.047,642 0.107,643 0.035,644 0.098,645 0.052,646 0.063,647 0.072,648 0.023,649 -0.01,650 -0.037,651 -0.032,652 -0.063,653 -0.039,654 -0.022,655 -0.042,656 -0.119,657 -0.068,658 -0.121,659 -0.1,660 -0.045,661 -0.116,662 -0.063,663 -0.081,664 -0.108,665 -0.078,666 1.427,667 5.595,668 0.778,669 28.848,670 0.986,671 1.124,672 3.503,673 12.274,674 0.659,675 3.434,676 3.738,677 3.97,678 4.205,679 4.407,680 4.382,681 4.5,682 4.585,683 4.5,684 4.533,685 7.645,686 0.613,687 361.53,688 3.434,689 4.963,690 5.796,691 6.655,692 7.503,693 8.364,694 9.218,695 10.081,696 10.938,697 11.802,698 5.6,701 1,706 1,708 1,714 2,715 8,716 1,717 1,720 3,722 16,727 1,741 54,743 17,744 2,745 30,747 57,748 23,749 13,750 4,751 8,752 1,756 4,757 5,763 1,767 2,768 1,770 4,772 14,773 9,774 1,777 1,782 1,786 1,790 1,793 27,794 3,795 1,796 4,799 1,802 3,808 0.75,809 1,828 1,829 3,832 1,855 1,859 3,864 1,868 27,876 7,880 1,881 1,893 1.9,896 1,901 13.167,902 9.817,903 5.889,904 3.497,907 2.798,908 1.374,909 0.999,910 5.471,911 10.279,912 3.689,913 4.259,914 4.805,915 5.366,916 5.852,917 6.048,918 6.426,919 6.706,920 6.411,921 6.406,922 0.889,923 38,924 10.042,926 4.257,927 0.026,929 7.512,931 19.888,933 16.819,936 2.012,937 54.333,939 1,940 1,941 306.049,942 119.211,943 36.695,945 25.145,948 119.211,949 331.194,950 36.695,951 8.825,952 16.455,953 75.81,954 49.392,955 28.425,956 2.144,957 306.049,959 306.049,960 155.907,961 25.145,964 258.964,965 72.229,968 49.662,969 89.459,970 16.786,972 306.049,973 61.84,974 119.211,977 306.049,978 34.576,979 87.759,980 16.786,981 41.93,982 306.049,983 61.84,984 119.211,986 0.578,987 0.328,988 0.174,989 0.097,990 20,991 8,992 0.105,993 6,994 1,995 1.095,996 4.129,997 220.162,998 0.095,999 21,1000 120.382,1005 18.095,1006 8.163,1007 4.524,1008 1.877,1009 45.055,1010 16.479,1011 4.436,1012 3.203,1015 3.058,1017 16.786,1018 487.1,1019 39,1024 12.595,1028 0.24,1031 53.236,1032 60.687,1034 0.237,1035 0.582,1036 0.784,1037 0.866,1038 0.875,1039 0.875,1040 4.913,1041 1.436,1042 5.759,1043 4.381,1044 4.419,1045 4.945,1046 1.752,1047 6.509,1048 4.379,1049 6.091,1050 1.367,1051 7.276,1052 3.642,1053 3.892,1054 4.663,1055 0.325,1056 7.235,1057 3.834,1058 7.375,1059 1,1060 8.885,1061 3.038,1062 5.958,1063 7.104,1064 1.986,1065 10.295,1066 5.878,1067 8.691,1068 1,1069 10.549,1070 2.275,1071 6.236,1072 7.691,1073 0.393,1074 11.843,1075 6.14,1076 10.041,1077 0.609,1078 12.246,1079 2.136,1080 7.752,1081 9.598,1082 2.341,1083 14.386,1084 7.636,1085 11.413,1086 0.366,1087 13.968,1088 1.432,1089 8.42,1090 10.625,1091 0.384,1092 16.299,1093 8.288,1094 12.805,1095 0.04,1096 15.708,1097 0.947,1098 9.692,1099 12.297,1100 2.756,1101 18.648,1102 9.541,1103 3.036,1104 -0.493,1105 17.461,1106 0.099,1107 10.56,1108 13.555,1109 0.351,1110 20.735,1111 10.391,1112 2.737,1113 9.635,1114 19.225,1115 -1.167,1116 11.72,1117 15.119,1118 3.203,1119 23.011,1120 11.533,1121 2.653,1122 8.298,1123 20.998,1124 4.441,1125 12.692,1126 16.493,1127 0.312,1128 25.18,1129 12.485,1130 2.454,1131 7.785,1132 22.778,1133 3.462,1134 13.804,1135 18.011,1136 3.667,1137 27.433,1138 13.579,1139 2.079,1140 6.94,1141 24.565,1142 3.456,1143 14.83,1144 19.443,1145 0.273,1146 29.643,1147 14.585,1148 1.925,1149 5.869,1150 26.357,1151 2.655,1152 15.923,1153 20.942,1154 4.143,1155 31.89,1156 15.659,1157 1.527,1158 5.311,1159 28.153,1160 2.594,1161 16.978,1162 22.403,1163 0.236,1164 34.122,1165 16.694,1166 10105,1167 14813,1168 20.572,1169 35.608,1170 44.917,1171 45.594,1172 45.094,1173 44.471,1174 44.454,1175 57.357,1176 4.733,1177 123.571,1178 43.586,1179 5.499,1180 5.605,1181 6.104,1182 5.047,1183 5.036,1184 7.441,1185 2.555,1186 16.036,1187 4.979,1188 9.639,1189 1.497,1190 1.52,1191 1.503,1192 1.482,1193 1.482,1194 1.912,1195 0.158,1196 4.119,1197 1.453,1198 4.116,1199 4.156,1200 4.079,1201 4.002,1202 7.427,1203 4.015,1204 3.955,1205 4.004,1206 3.867,1207 3.867,1208 5.054,1209 3.862,1210 3.83,1211 3.875,1212 3.721,1213 3.728,1214 4.756,1215 3.719,1216 3.619,1217 3.663,1218 3.541,1219 3.452,1220 4.329,1221 3.467,1222 3.382,1223 3.454,1224 3.241,1225 3.223,1226 4.293,1227 3.218,1228 3.185,1229 3.251,1230 3.041,1231 3.027,1232 3.901,1233 3.019,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.834,1239 2.91,1240 2.97,1241 3.052,1242 2.802,1243 2.809,1244 3.674,1245 2.799,1246 0.15,1247 0.12,1248 0.21,1249 0.134,1250 0.101,1251 4.499,1252 0.148,1253 3.605,1254 0.043,1255 6.302,1256 0.321,1257 4.012,1258 0.099,1259 3.036,1260 4.441,1261 1.277,1262 9.635,1263 2.979,1264 1.953,1265 1.927,1266 2.106,1267 2.075,1268 1.485,1269 2.088,1270 1.925,1271 1.892,1272 2.031,1273 2.026,1274 1.184,1275 2.027,1276 1.831,1277 1.782,1278 1.992,1279 1.946,1280 1.132,1281 1.967,1282 1.543,1283 1.476,1284 1.757,1285 1.782,1286 0.984,1287 1.774,1288 1.476,1289 1.415,1290 1.715,1291 1.677,1292 0.825,1293 1.692,1294 1.203,1295 1.145,1296 1.513,1297 1.41,1298 0.793,1299 1.429,1300 1.153,1301 1.064,1302 1.458,1303 1.376,1304 0.684,1305 1.426,1306 0.986,1307 0.925,1308 1.25,1309 1.209,1310 0.429,1311 1.234,1312 4.111,1314 5.416,1315 2.398,1316 6.905,1317 4.727,1318 8.472,1319 6.804,1320 10.079,1322 1.936,1328 7.317,1332 0.664,1333 2.529,1340 33.101,1341 73.585,1342 180.95,1343 243.744,1344 269.254,1345 272.009,1346 272.009,1347 41.176,1348 7.481,1349 48.99,1350 48.99,1351 23,1352 12.351,1353 4.17,1354 3.322,1355 40.646,1356 126,1357 113,1358 0.155,1359 202.781,1360 344.99,1361 486.545,1362 20297,1364 18.64,1365 0.69,1366 0.591,1367 18.64,1368 15.949,1369 13.17,1370 0.439,1371 0.331,1372 9.853,1373 12.867,1374 9.586,1375 7.946,1376 13.17,1377 9.931,1378 11.851,1379 0.289,1380 0.188,1381 11.851,1382 7.721,1383 9.783,1384 0.188,1385 0.109,1386 9.783,1387 5.659,1388 7.993,1389 0.121,1390 0.062,1391 7.993,1392 4.061,1393 6.525,1394 0.081,1395 0.037,1396 6.525,1397 2.972,1398 0.254,1399 81.025,1400 0.22,1401 26.745,1402 0.397,1403 142,1404 329.359,1405 150.348,1406 327.114,1407 453.63,1408 308,1409 164,1410 335.819,1411 172.682,1412 344.39,1413 499.26,1414 325,1415 7.921}
{0 CHEMBL1084808,1 1.396,2 9.952,3 2.623,4 6.881,5 88.267,6 6.748,7 0.522,8 3.825,9 3.974,10 3.324,11 3.309,12 4.818,13 3.28,14 4.377,15 4.602,16 3.619,17 3.678,18 5.3,19 3.619,20 4.598,21 4.845,22 3.598,23 3.813,24 5.42,25 3.7,26 4.664,27 4.959,28 3.418,29 3.724,30 5.438,31 3.571,32 4.516,33 4.823,34 3.354,35 3.589,36 5.299,37 3.461,38 4.274,39 4.518,40 3.305,41 3.507,42 5.164,43 3.405,44 4.294,45 4.566,46 3.179,47 3.456,48 5.133,49 3.328,50 4.216,51 4.505,52 3.001,53 3.353,54 4.951,55 3.196,56 0.039,57 0.666,58 9.766,59 3.352,60 7.085,61 5.223,62 0.276,63 1.031,64 18.14,65 5.306,66 18.853,67 8.457,68 0.207,69 1.185,70 22.598,71 7.104,72 18.06,73 11.325,74 0.286,75 1.138,76 24.835,77 7.298,78 25.954,79 11.901,80 0.285,81 0.98,82 21.594,83 6.108,84 24.008,85 10.045,86 0.145,87 0.863,88 16.291,89 4.94,90 17.753,91 7.992,92 0.195,93 0.828,94 16.898,95 5.085,96 19.968,97 8.182,98 0.128,99 0.727,100 15.556,101 5.152,102 14.513,103 8.103,104 2,105 30,106 0.247,107 0.562,108 0.715,109 0.797,110 0.809,111 0.809,112 3.102,113 0.959,114 -3.99,115 -3.94,116 -3.74,121 38.1,126 1,127 5,144 6,145 1,147 1,149 1,152 1,176 6,179 3,180 2,183 1,185 2,187 6,191 1,197 2,200 3,206 2,209 2,211 2,214 1,218 2,219 2,224 1,227 2,232 4,239 2,244 6,247 1,251 1,256 4,269 3,281 567,282 14.499,283 14.499,284 14.499,285 14.499,286 14.499,287 13.049,288 21.819,289 8.884,290 14.91,291 11.387,292 11.387,293 11.387,294 11.387,295 11.387,296 9.275,297 36.884,298 4.279,299 12.053,300 3.996,301 2.221,302 1.358,303 0.893,304 0.827,305 0.827,306 3.79,310 1,311 1,312 1,313 451,314 2.121,318 208.102,325 1.578,326 9.879,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 44.5,338 209,339 4.175,340 3.152,341 6.173,342 3.819,343 2.908,344 3.73,345 0.8,346 9.19,347 2.653,348 3.899,349 2.817,350 5.41,351 3.538,352 2.562,353 3.442,354 0.8,355 7.149,356 2.51,357 3.629,358 2.653,359 5.249,360 3.358,361 2.414,362 2.832,363 0.657,364 6.702,365 2.267,366 3.302,367 2.425,368 5.013,369 3.095,370 2.176,371 2.363,373 5.994,374 1.995,375 2.926,376 1.694,377 4.256,378 2.515,379 1.545,380 2.092,382 3.914,383 1.504,384 2.764,385 1.531,386 3.635,387 2.351,388 1.414,389 1.854,391 3.131,392 1.317,393 2.5,394 1.158,395 3.482,396 2.048,397 1.106,398 1.5,400 2.546,401 1.039,402 2.466,403 1.146,404 3.414,405 2,406 1,407 1.458,409 2.275,410 1,411 2,412 1,413 3.247,414 1.967,415 1,416 1,418 2.136,419 0.965,420 1.821,421 0.789,422 3.08,423 1.537,424 0.601,425 0.712,427 1.403,428 0.561,429 0.985,430 0.025,431 2.538,432 0.8,433 -0.15,434 -0.159,436 -0.333,437 -0.142,438 0.88,439 -0.189,440 2.297,441 0.547,442 -0.414,443 -0.517,445 -1.003,446 -0.396,447 0.569,448 -0.6,449 2,450 0.155,451 -0.779,452 -0.97,454 -1.774,455 -0.722,456 0.529,457 -0.603,458 1.735,459 0.062,460 -0.883,461 -1,463 -2.337,464 -0.837,465 0.5,466 -0.774,467 1.622,469 -1,470 -1.177,472 -2.347,473 -0.9,474 10,475 0.476,476 0.362,477 0.017,478 27.5,479 1.31,480 13,481 0.619,482 14.5,483 0.69,484 14.548,485 0.693,486 23,487 0.548,488 17.153,489 0.817,490 5.575,491 0.265,492 4.735,493 0.225,494 0.05,496 0.23,501 1.01,502 1.677,503 0.879,504 1.259,505 0.849,506 1.086,507 1.306,508 0.942,509 1.033,510 0.882,511 0.843,512 0.918,513 1.119,514 1.219,515 1.097,516 1.154,517 1.015,518 1.127,519 1.09,520 0.995,521 1.033,522 0.991,523 1.287,524 1.003,525 1.165,526 0.721,527 0.879,528 0.688,529 1.184,530 0.739,531 1.301,532 1.198,533 1.117,534 1.092,535 1.237,536 1.084,537 1.245,538 0.945,539 1.102,540 0.965,541 1.308,542 1.008,543 0.882,544 0.977,545 0.951,546 0.99,547 0.796,548 0.981,549 3.5,550 0.049,551 1.778,552 0.563,553 0.716,554 0.486,555 0.182,556 0.233,557 0.131,558 0.02,559 4825,560 10253,561 2.131,562 50,564 19,566 1,567 1,572 1.627,573 2.066,574 3.317,575 -0.291,576 1,577 1,579 1,582 58.629,583 1.396,584 3.172,585 4.035,586 4.499,587 4.565,588 4.565,589 2.761,590 4.011,591 4.364,592 3.43,593 720.208,594 7.454,595 7827.19,596 1,597 1,599 1,600 226.477,601 1.049,602 4.355,603 0.152,604 0.005,605 0.059,606 0.02,607 0.033,608 0.022,609 0.009,610 0.013,611 0.009,612 0.002,613 0.324,614 0.67,615 1,616 0.418,617 96.294,618 0.018,619 -0.407,620 0.08,621 -0.159,622 0.064,623 -0.052,624 0.064,625 0.225,626 -0.023,627 0.077,628 0.151,629 0.026,630 -0.07,631 -0.167,632 -0.121,633 -0.164,634 -0.067,635 -0.151,636 0.001,637 -0.051,638 -0.04,639 -0.062,640 -0.105,641 -0.057,642 0.002,643 0.214,644 0.128,645 0.221,646 -0.007,647 0.195,648 -0.19,649 -0.129,650 -0.135,651 -0.111,652 -0.105,653 -0.115,654 -0.131,655 0.063,656 -0.114,657 -0.012,658 -0.123,659 -0.053,660 -0.04,661 -0.05,662 0.013,663 -0.001,664 0.062,665 0.01,666 0.846,667 1.622,668 0.857,669 17.333,670 0.99,671 1.138,672 2.762,673 7.628,674 0.646,675 3.178,676 3.434,677 3.638,678 3.829,679 4.06,680 3.97,681 4.025,682 4.094,683 4.143,684 4.143,685 5.812,686 0.603,687 283.42,688 3.178,689 4.673,690 5.485,691 6.319,692 7.146,693 7.984,694 8.817,695 9.658,696 10.494,697 11.337,698 11.9,701 1,703 1,704 1,708 2,715 7,716 2,720 3,722 12,734 1,736 1,741 42,743 12,744 1,745 23,747 44,748 16,749 10,750 1,751 5,756 3,757 3,772 10,773 6,789 1,790 1,793 21,794 5,795 1,796 5,802 5,808 1,823 1,829 3,855 1,859 3,864 1,868 21,876 5,877 1,881 2,901 10.167,902 7.633,903 4.694,904 2.485,907 2.161,908 1.325,909 0.982,910 4.558,911 8.807,912 3.401,913 3.892,914 4.357,915 4.822,916 5.305,917 5.206,918 5.464,919 5.725,920 6.054,921 6.309,922 0.857,923 28,924 7.745,926 3.144,927 0.026,929 7.452,931 15.264,933 12.222,936 1.952,937 41,938 0.001,940 1,941 235.422,942 92.242,943 57.83,948 92.242,949 235.422,950 57.83,951 8.396,952 10.529,953 56.857,954 63.353,955 18.482,956 4.227,957 223.651,959 235.422,960 150.073,964 235.422,968 24.599,969 73.892,970 51.582,972 235.422,973 57.83,974 92.242,977 235.422,978 17.941,979 80.55,980 18.011,981 33.571,982 235.422,983 57.83,984 92.242,986 0.566,987 0.316,988 0.165,989 0.095,990 14,991 5,992 0.091,993 4,995 1,996 3.511,997 152.485,999 18,1000 84.239,1005 14.146,1006 6.767,1007 3.852,1009 57.83,1010 14.084,1011 9.021,1015 2.946,1017 18.011,1018 385.495,1019 29,1031 41.578,1032 47.813,1034 0.259,1035 0.588,1036 0.748,1037 0.834,1038 0.847,1039 0.847,1040 4.595,1041 1,1042 5.416,1043 2.546,1044 4.111,1045 4.575,1046 1.331,1047 6.116,1048 3.997,1049 5.728,1050 1,1051 6.899,1052 2.275,1053 3.434,1054 3.98,1055 0.57,1056 6.763,1057 3.218,1058 6.972,1059 0.601,1060 8.477,1061 2.136,1062 5.595,1063 6.581,1064 0.831,1065 9.81,1066 5.354,1067 8.245,1068 -0.15,1069 10.112,1070 1.403,1071 5.74,1072 6.779,1073 0.479,1074 11.312,1075 5.381,1076 9.55,1077 -0.414,1078 11.786,1079 -0.333,1080 7.326,1081 8.855,1082 0.532,1083 13.83,1084 6.947,1085 10.875,1086 -0.779,1087 13.486,1088 -1.003,1089 7.881,1090 9.458,1091 0.346,1092 15.708,1093 7.381,1094 12.216,1095 -0.883,1096 15.207,1097 -1.774,1098 9.191,1099 11.258,1100 0.342,1101 18.032,1102 8.663,1103 2.908,1104 -1,1105 16.942,1106 -2.337,1107 9.969,1108 12.1,1109 0.237,1110 20.087,1111 9.321,1112 2.562,1113 9.19,1114 18.689,1115 -2.347,1116 11.142,1117 13.733,1118 0.219,1119 22.339,1120 10.451,1121 2.414,1122 7.149,1123 20.446,1124 3.73,1125 12.043,1126 14.727,1127 0.158,1128 24.479,1129 11.237,1130 2.176,1131 6.702,1132 22.211,1133 3.442,1134 13.148,1135 16.251,1136 0.14,1137 26.704,1138 12.285,1139 1.545,1140 5.994,1141 23.983,1142 2.832,1143 14.118,1144 17.346,1145 0.104,1146 28.884,1147 13.144,1148 1.414,1149 3.914,1150 25.761,1151 2.363,1152 15.193,1153 18.797,1154 0.089,1155 31.102,1156 14.15,1157 1.106,1158 3.131,1159 27.545,1160 2.092,1161 16.201,1162 19.961,1163 0.068,1164 33.301,1165 15.051,1166 4625,1167 6844,1168 15.89,1169 27.12,1170 33.748,1171 33.359,1172 33.747,1173 33.503,1174 33.453,1175 41.965,1176 4.515,1177 88.88,1178 31.623,1179 5.175,1180 5.152,1181 5.975,1182 4.892,1183 4.908,1184 6.73,1185 1.457,1186 15.403,1187 4.653,1188 5.92,1189 1.467,1190 1.45,1191 1.467,1192 1.457,1193 1.454,1194 1.825,1195 0.196,1196 3.864,1197 1.375,1198 3.959,1199 4.016,1200 3.896,1201 3.86,1202 4.999,1203 3.856,1204 3.87,1205 3.919,1206 3.797,1207 3.704,1208 4.749,1209 3.727,1210 3.713,1211 3.781,1212 3.61,1213 3.528,1214 4.36,1215 3.539,1216 3.277,1217 3.369,1218 3.144,1219 3.071,1220 4.158,1221 3.073,1222 3.167,1223 3.266,1224 2.985,1225 2.941,1226 3.901,1227 2.932,1228 3.111,1229 3.206,1230 2.866,1231 2.934,1232 3.734,1233 2.91,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 3.674,1239 2.715,1240 2.762,1241 2.857,1242 2.634,1243 2.554,1244 3.545,1245 2.56,1246 0.182,1247 0.137,1248 0.268,1249 0.166,1250 0.126,1251 4.175,1252 0.162,1253 3.152,1254 0.035,1255 6.173,1256 0.4,1257 3.819,1258 0.115,1259 2.908,1260 3.73,1261 0.8,1262 9.19,1263 2.653,1264 1.915,1265 1.883,1266 2.044,1267 2.06,1268 1.285,1269 2.048,1270 1.816,1271 1.752,1272 1.991,1273 1.994,1274 1.154,1275 2.006,1276 1.664,1277 1.6,1278 1.807,1279 1.866,1280 0.825,1281 1.857,1282 1.24,1283 1.16,1284 1.546,1285 1.504,1286 0.82,1287 1.518,1288 1.16,1289 1.064,1290 1.513,1291 1.419,1292 0.658,1293 1.448,1294 1.153,1295 1.059,1296 1.48,1297 1.376,1298 0.601,1299 1.429,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.26,1305 1.107,1306 0.742,1307 0.653,1308 1.07,1309 1.017,1310 0.218,1311 1.045,1312 3.85,1314 5.118,1316 6.586,1318 8.136,1320 9.724,1322 2.149,1328 4.868,1329 3.361,1333 4.571,1340 25.321,1341 58.629,1342 133.21,1343 169.458,1344 188.968,1345 191.722,1346 191.722,1347 22.109,1348 6.646,1349 44.29,1350 44.29,1351 18,1352 11.902,1353 3.7,1354 2.807,1355 32.322,1356 73,1357 67,1358 0.216,1359 158.475,1360 265.64,1361 378.439,1362 6528,1364 14.493,1365 0.69,1366 0.589,1367 14.493,1368 12.366,1369 10.31,1370 0.448,1371 0.32,1372 7.239,1373 9.903,1374 7.05,1375 5.872,1376 10.31,1377 7.355,1378 8.894,1379 0.296,1380 0.179,1381 8.894,1382 5.371,1383 7.258,1384 0.196,1385 0.101,1386 7.258,1387 3.745,1388 5.727,1389 0.127,1390 0.053,1391 5.727,1392 2.394,1393 4.806,1394 0.084,1395 0.03,1396 4.806,1397 1.713,1398 0.342,1399 64.446,1400 0.251,1401 21.185,1402 0.581,1403 106,1404 264.913,1405 115.88,1406 261.656,1407 365.15,1408 248,1409 120,1410 272.549,1411 130.88,1412 278.585,1413 402.44,1414 261,1415 4.604}
{0 CHEMBL1084880,1 1.405,2 10.72,3 4.199,4 17.629,5 98.704,6 6.867,7 0.429,8 3.98,9 4.101,10 3.492,11 3.54,12 4.982,13 3.502,14 4.56,15 4.736,16 3.898,17 3.98,18 5.551,19 3.917,20 4.854,21 5.064,22 3.93,23 4.159,24 5.716,25 4.058,26 4.959,27 5.2,28 3.824,29 4.151,30 5.819,31 4.006,32 4.962,33 5.245,34 3.709,35 3.977,36 5.843,37 3.838,38 4.678,39 4.922,40 3.512,41 3.757,42 5.615,43 3.644,44 4.453,45 4.688,46 3.44,47 3.643,48 5.414,49 3.536,50 4.416,51 4.647,52 3.3,53 3.542,54 5.469,55 3.438,56 0.036,57 0.688,58 11.012,59 4.784,60 7.424,61 6.468,62 0.325,63 1.171,64 20.928,65 8.18,66 31.843,67 11.468,68 0.233,69 1.503,70 28.698,71 10.945,72 27.202,73 15.332,74 0.192,75 1.589,76 32.29,77 12.639,78 35.804,79 17.862,80 0.33,81 1.464,82 34.139,83 11.941,84 51.778,85 16.94,86 0.396,87 1.087,88 25.732,89 8.873,90 43.443,91 11.99,92 0.157,93 0.935,94 19.674,95 7.401,96 25.355,97 10.285,98 0.373,99 0.893,100 19.668,101 6.29,102 44.866,103 8.645,104 11,105 41,106 0.239,107 0.564,108 0.752,109 0.856,110 0.866,111 0.866,112 3.267,113 0.966,114 -4.65,115 -4.56,116 -4.29,121 42.9,122 2,123 2,125 1,127 2,129 1,144 8,145 2,146 2,161 1,176 12,179 1,180 6,183 2,185 2,187 16,192 5,197 2,200 13,206 10,211 3,214 6,219 10,224 2,227 5,231 1,232 4,237 2,239 6,244 3,249 3,251 9,255 1,256 1,259 1,264 10,277 12,281 843,282 17.004,283 17.004,284 17.004,285 17.004,286 17.004,287 15.413,288 24.064,289 9.867,290 17.315,291 13.77,292 13.77,293 13.77,294 13.77,295 13.77,296 11.371,297 33.055,298 4.619,299 14.228,300 4.21,301 2.298,302 1.189,303 0.577,304 0.521,305 0.521,306 3.963,311 1,312 1,313 590,314 3.464,317 94.898,318 135.269,320 76.61,321 81.569,324 114.512,325 1.594,326 17.569,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 53,338 268,339 4.78,340 3.899,341 7.933,342 4.675,343 3.685,344 4.16,345 2.186,346 14.943,347 3.652,348 4.023,349 3.674,350 6.169,351 3.673,352 2.725,353 3.483,354 0.8,355 8.719,356 2.586,357 3.91,358 2.861,359 5.674,360 3.543,361 2.575,362 3.3,363 0.366,364 7.616,365 2.493,366 3.596,367 2.617,368 5.534,369 3.273,370 2.335,371 2.839,373 7.313,374 2.178,375 3.338,376 2.521,377 5.279,378 3.176,379 2.199,380 2.497,382 6.724,383 2.133,384 3.275,385 2.385,386 4.702,387 2.862,388 1.874,389 2.388,391 5.013,392 1.834,393 2.848,394 1.522,395 4.604,396 2.388,397 1.402,398 1.982,400 4.041,401 1.378,402 2.612,403 1.518,404 4.149,405 2.319,406 1.337,407 1.646,409 2.99,410 1.309,411 2.5,412 1.167,413 3.571,414 2.112,415 1.12,416 1.5,418 2.988,419 1.11,420 2.29,421 1,422 3.327,423 2,424 1,425 1.275,427 2.136,428 1,429 1.734,430 0.894,431 3.247,432 1.652,433 0.672,434 0.703,436 1.378,437 0.657,438 1.398,439 0.735,440 2.968,441 1.201,442 0.244,443 0.268,445 0.503,446 0.231,447 1.179,448 0.434,449 2.81,450 0.869,451 -0.076,452 -0.085,454 -0.179,455 -0.071,456 0.961,457 0.19,458 2.699,459 0.68,460 -0.319,461 -0.392,463 -0.725,464 -0.314,465 0.613,466 -0.338,467 2.42,468 0.319,469 -0.671,470 -0.771,472 -1.774,473 -0.658,474 11.967,475 0.479,476 0.66,477 0.026,478 30.5,479 1.22,480 14.5,481 0.58,482 16,483 0.64,484 22.542,485 0.902,486 27.033,487 0.552,488 20.437,489 0.817,490 5.658,491 0.226,492 6.44,493 0.258,494 0.111,495 0.042,496 0.284,501 0.773,502 1.278,503 0.846,504 1.102,505 0.603,506 0.997,507 0.588,508 1.038,509 0.853,510 0.953,511 0.385,512 0.93,513 1.041,514 1.085,515 1.072,516 1.058,517 0.704,518 1.06,519 0.788,520 1.218,521 1.058,522 1.242,523 0.645,524 1.19,525 1.194,526 0.888,527 0.858,528 0.884,529 1.2,530 0.84,531 1.826,532 0.809,533 1.076,534 0.835,535 1.532,536 0.875,537 1.125,538 1.113,539 0.927,540 1.044,541 1.313,542 0.981,543 1.95,544 0.771,545 1.279,546 0.823,547 2.722,548 0.948,549 6,550 0.101,551 3.333,552 2.583,553 1.437,554 0.726,555 0.516,556 0.247,557 0.268,558 0.171,559 7465,560 15725,561 2.12,562 49,563 3,564 13,567 1,569 7,572 1.678,573 1.987,574 3.361,575 -0.396,577 1,582 68.843,583 1.405,584 3.317,585 4.426,586 5.038,587 5.094,588 5.094,589 2.889,590 4.484,591 4.614,592 3.511,593 1053.45,594 7.967,595 12619.2,597 1,599 1,600 275.121,601 1.535,602 4.57,603 0.214,604 0.006,605 0.081,606 0.063,607 0.042,608 0.024,609 0.021,610 0.01,611 0.013,612 0.009,613 0.484,614 0.33,615 1,616 0.739,617 120.539,618 -0.002,619 -0.105,620 0.068,621 -0.025,622 -0.026,623 0.021,624 0.318,625 0.082,626 0.098,627 0.065,628 0.249,629 0.057,630 -0.11,631 -0.028,632 -0.11,633 -0.062,634 -0.02,635 -0.08,636 0.009,637 -0.238,638 -0.104,639 -0.247,640 0.097,641 -0.196,642 0.003,643 0.013,644 0.162,645 0.059,646 0.052,647 0.122,648 -0.138,649 0.103,650 -0.021,651 0.117,652 -0.135,653 0.066,654 -0.013,655 -0.153,656 0.062,657 -0.057,658 -0.04,659 -0.001,660 -0.21,661 0.246,662 -0.219,663 0.094,664 -0.366,665 -0.042,666 2.118,667 5.146,668 0.72,669 21.606,670 0.991,671 1.122,672 3.415,673 11.665,674 0.659,675 3.367,676 3.738,677 4.06,678 4.382,679 4.595,680 4.682,681 4.852,682 4.942,683 4.963,684 5.024,685 6.15,686 0.618,687 336.47,688 3.367,689 4.934,690 5.814,691 6.73,692 7.635,693 8.562,694 9.481,695 10.415,696 11.344,697 12.284,698 4.1,701 1,705 1,715 8,720 4,722 12,737 1,741 49,743 13,744 2,745 28,747 52,748 21,749 12,750 4,751 8,756 4,757 7,763 2,764 1,766 1,767 3,770 3,772 13,773 8,777 1,782 1,786 1,790 1,793 24,794 4,795 1,796 4,802 2,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 2,868 25,876 4,877 1,878 1,880 1,881 1,882 1,893 4.1,896 1,898 1,901 12.583,902 9.283,903 5.431,904 3.197,907 2.12,908 1.28,909 0.974,910 4.202,911 9.688,912 3.584,913 4.143,914 4.654,915 5.198,916 5.68,917 5.811,918 6.167,919 6.448,920 6.561,921 6.799,922 1,923 41,924 9.283,926 4.002,927 0.026,929 7.577,931 18.223,933 15.668,936 2.077,937 51.917,939 1,940 1,941 270.735,942 123.875,943 21.135,945 36.145,948 123.875,949 306.88,950 21.135,951 17.65,952 27.291,953 75.81,954 25.145,955 28.496,956 6.763,957 270.735,959 270.735,960 145.01,961 36.145,964 188.338,965 118.543,968 48.066,969 96.944,972 270.735,973 57.28,974 123.875,977 270.735,978 30.414,979 96.585,980 18.011,981 36.145,982 270.735,983 57.28,984 123.875,986 0.587,987 0.353,988 0.198,989 0.107,990 22,991 9,992 0.077,993 4,994 2,995 1.222,996 3.724,997 214.412,998 0.222,999 18,1000 112.096,1005 16.467,1006 6.379,1007 2.909,1009 57.28,1010 15.453,1015 4.082,1017 18.011,1018 451.89,1019 35,1024 12.146,1028 -0.451,1031 48.578,1032 54.983,1034 0.25,1035 0.591,1036 0.788,1037 0.897,1038 0.907,1039 0.907,1040 4.86,1041 1.337,1042 5.844,1043 4.041,1044 4.419,1045 4.828,1046 2.351,1047 6.76,1048 4.36,1049 6.065,1050 1.12,1051 7.471,1052 2.99,1053 4.205,1054 4.635,1055 1.847,1056 8.118,1057 4.13,1058 7.392,1059 1,1060 9.222,1061 2.988,1062 6.146,1063 6.928,1064 3.504,1065 11.268,1066 6.043,1067 8.756,1068 0.672,1069 11.056,1070 2.136,1071 6.804,1072 7.51,1073 3.598,1074 13.553,1075 6.703,1076 10.158,1077 0.244,1078 12.949,1079 1.378,1080 8.273,1081 9.331,1082 4.907,1083 16.357,1084 8.156,1085 11.588,1086 -0.076,1087 14.886,1088 0.503,1089 9.315,1090 10.285,1091 5.29,1092 18.943,1093 9.206,1094 13.042,1095 -0.319,1096 16.857,1097 -0.179,1098 10.645,1099 11.905,1100 6.387,1101 21.672,1102 10.528,1103 3.685,1104 -0.671,1105 18.854,1106 -0.725,1107 11.845,1108 13.06,1109 6.93,1110 24.343,1111 11.732,1112 2.725,1113 14.943,1114 20.87,1115 -1.774,1116 13.143,1117 14.58,1118 7.902,1119 27.054,1120 13.024,1121 2.575,1122 8.719,1123 22.9,1124 4.16,1125 14.405,1126 15.849,1127 8.539,1128 29.748,1129 14.285,1130 2.335,1131 7.616,1132 24.941,1133 3.483,1134 15.7,1135 17.319,1136 9.436,1137 32.454,1138 15.575,1139 2.199,1140 7.313,1141 26.989,1142 3.3,1143 16.986,1144 18.653,1145 10.13,1146 35.156,1147 16.856,1148 1.874,1149 6.724,1150 29.044,1151 2.839,1152 18.284,1153 20.097,1154 10.981,1155 37.861,1156 18.148,1157 1.402,1158 5.013,1159 31.103,1160 2.497,1161 19.58,1162 21.469,1163 11.71,1164 40.564,1165 19.437,1166 7055,1167 10397,1168 18.781,1169 32.296,1170 42.61,1171 43.505,1172 44.03,1173 42.353,1174 42.335,1175 52.081,1176 6.705,1177 128.727,1178 41.123,1179 5.743,1180 5.899,1181 7.735,1182 5.759,1183 5.685,1184 7.16,1185 3.889,1186 23.402,1187 5.652,1188 10.792,1189 1.522,1190 1.554,1191 1.572,1192 1.513,1193 1.512,1194 1.86,1195 0.239,1196 4.597,1197 1.469,1198 4.1,1199 4.132,1200 4.039,1201 4.028,1202 7.435,1203 4.027,1204 3.899,1205 3.934,1206 3.832,1207 3.822,1208 4.833,1209 3.819,1210 3.714,1211 3.758,1212 3.627,1213 3.577,1214 4.753,1215 3.58,1216 3.434,1217 3.498,1218 3.345,1219 3.244,1220 4.413,1221 3.231,1222 3.353,1223 3.393,1224 3.185,1225 3.107,1226 4.142,1227 3.14,1228 3.14,1229 3.211,1230 2.981,1231 2.971,1232 3.965,1233 2.975,1234 3.076,1235 3.183,1236 2.819,1237 2.881,1238 3.837,1239 2.852,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.171,1247 0.139,1248 0.283,1249 0.167,1250 0.132,1251 4.78,1252 0.149,1253 3.899,1254 0.078,1255 7.933,1256 0.534,1257 4.675,1258 0.13,1259 3.685,1260 4.16,1261 2.186,1262 14.943,1263 3.652,1264 1.914,1265 1.895,1266 2.018,1267 2.01,1268 1.312,1269 2.011,1270 1.882,1271 1.851,1272 2.004,1273 1.969,1274 1.218,1275 1.982,1276 1.677,1277 1.623,1278 1.892,1279 1.863,1280 1.072,1281 1.876,1282 1.591,1283 1.519,1284 1.842,1285 1.765,1286 1.059,1287 1.795,1288 1.29,1289 1.235,1290 1.606,1291 1.554,1292 0.828,1293 1.55,1294 1.194,1295 1.141,1296 1.456,1297 1.474,1298 0.597,1299 1.468,1300 1.063,1301 0.982,1302 1.312,1303 1.301,1304 0.306,1305 1.345,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.27,1311 1.107,1312 4.043,1314 5.398,1315 3.045,1316 6.954,1317 5.587,1318 8.605,1319 7.832,1320 10.315,1322 4.587,1328 4.502,1329 2.761,1330 5.527,1332 0.57,1333 2.572,1334 0.167,1340 30.267,1341 68.843,1342 162.517,1343 216.856,1344 246.856,1345 249.611,1346 249.611,1347 35.792,1348 7.568,1349 41.57,1350 41.57,1351 22,1352 12.782,1353 3.807,1354 3,1355 36.09,1356 93,1357 93,1358 0.194,1359 183.725,1360 321.72,1361 440.05,1362 19658,1364 17.441,1365 0.698,1366 0.592,1367 17.441,1368 14.788,1369 12.098,1370 0.432,1371 0.322,1372 8.925,1373 11.735,1374 8.656,1375 7.163,1376 12.098,1377 9.013,1378 11.181,1379 0.273,1380 0.176,1381 11.181,1382 7.215,1383 9.696,1384 0.17,1385 0.102,1386 9.696,1387 5.841,1388 8.44,1389 0.107,1390 0.056,1391 8.44,1392 4.457,1393 6.758,1394 0.069,1395 0.032,1396 6.758,1397 3.126,1398 0.304,1399 74.962,1400 0.231,1401 24.267,1402 0.531,1403 138,1404 337.449,1405 149.222,1406 327.469,1407 457.54,1408 308,1409 167,1410 347.627,1411 177.145,1412 351.579,1413 518.93,1414 332,1415 6.754}
{0 CHEMBL1084881,1 1.322,2 12.731,3 5.387,4 29.019,5 106.526,6 5.976,7 0.214,8 4.142,9 4.283,10 3.518,11 3.645,12 5.017,13 3.579,14 4.768,15 4.984,16 3.885,17 4.084,18 5.609,19 3.979,20 5.073,21 5.33,22 3.933,23 4.266,24 5.795,25 4.123,26 5.157,27 5.427,28 3.859,29 4.274,30 5.899,31 4.103,32 5.133,33 5.424,34 3.782,35 4.16,36 5.893,37 3.99,38 4.982,39 5.254,40 3.631,41 4.012,42 5.784,43 3.851,44 4.837,45 5.114,46 3.549,47 3.87,48 5.679,49 3.717,50 4.704,51 4.958,52 3.409,53 3.715,54 5.693,55 3.585,56 0.068,57 0.832,58 15.118,59 6.108,60 8.26,61 8.787,62 0.395,63 1.381,64 27.847,65 10.282,66 33.562,67 15.207,68 0.289,69 1.723,70 36.578,71 13.385,72 27.469,73 19.877,74 0.325,75 1.783,76 39.434,77 14.24,78 37.416,79 21.168,80 0.35,81 1.633,82 38.288,83 13.193,84 41.413,85 19.718,86 0.436,87 1.38,88 33.543,89 11.258,90 40.046,91 16.536,92 0.275,93 1.215,94 28.781,95 9.671,96 32.314,97 14.424,98 0.452,99 1.042,100 26.144,101 7.857,102 50.841,103 11.64,104 31,105 39,106 0.219,107 0.471,108 0.702,109 0.844,110 0.883,111 0.883,112 3.304,113 1.116,114 -4.84,115 -4.75,116 -4.46,121 36.7,122 3,123 7,125 1,127 3,129 1,144 3,145 2,146 1,161 1,176 13,179 1,180 6,183 2,185 1,187 15,192 6,197 1,200 13,206 8,211 3,214 7,219 8,224 3,227 8,231 1,232 4,237 3,239 7,244 5,249 3,251 7,255 1,256 3,259 1,264 7,269 1,277 9,281 1040,282 17.687,283 17.687,284 17.687,285 17.687,286 17.687,287 16.846,288 22.483,289 10.797,290 17.968,291 13.773,292 13.773,293 13.773,294 13.773,295 13.773,296 12.393,297 28.055,298 5.039,299 14.219,300 4.585,301 3.062,302 1.664,303 0.804,304 0.571,305 0.571,306 3.985,311 1,312 1,313 697,314 4.183,317 104.799,318 61.186,320 84.711,321 91.246,324 127.644,325 1.905,326 18.417,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 55,338 331,339 4.78,340 3.899,341 7.934,342 4.676,343 3.685,344 4.16,345 2.186,346 14.944,347 3.652,348 3.989,349 3.662,350 6.172,351 3.65,352 2.698,353 3.315,354 0.8,355 8.745,356 2.573,357 3.671,358 2.864,359 5.675,360 3.37,361 2.435,362 2.876,363 0.366,364 7.506,365 2.259,366 3.364,367 2.599,368 5.407,369 3.222,370 2.251,371 2.522,373 7.011,374 2.171,375 3.3,376 2.394,377 4.805,378 2.966,379 1.994,380 2.402,382 5.423,383 1.929,384 2.797,385 1.875,386 4.681,387 2.756,388 1.758,389 1.795,391 4.178,392 1.75,393 2.639,394 1.568,395 4.15,396 2.404,397 1.422,398 1.677,400 3.492,401 1.394,402 2.323,403 1.461,404 3.773,405 2.217,406 1.23,407 1.309,409 2.989,410 1.21,411 2.275,412 1.192,413 3.377,414 2.115,415 1.125,416 1.257,418 2.309,419 1.112,420 2.07,421 1.078,422 3.259,423 2.02,424 1.033,425 1.066,427 1.947,428 1.018,429 1.6,430 0.89,431 3.073,432 1.513,433 0.55,434 0.566,436 1.068,437 0.526,438 1.535,439 0.751,440 2.886,441 1.385,442 0.399,443 0.43,445 0.804,446 0.391,447 1.128,448 0.454,449 2.755,450 0.899,451 -0.052,452 -0.056,454 -0.112,455 -0.049,456 0.82,457 0.024,458 2.413,459 0.695,460 -0.297,461 -0.315,463 -0.52,464 -0.292,465 0.686,466 -0.152,467 2.393,468 0.447,469 -0.533,470 -0.592,472 -1.093,473 -0.517,474 12.467,475 0.479,476 0.592,477 0.023,478 24,479 0.923,480 8,481 0.308,482 16,483 0.615,484 30.062,485 1.156,486 30.733,487 0.512,488 15.073,489 0.58,490 3.74,491 0.144,492 8.84,493 0.34,494 0.147,495 0.04,496 0.233,501 0.796,502 1.475,503 1.022,504 1.315,505 0.619,506 1.206,507 0.626,508 1.116,509 0.972,510 1.067,511 0.39,512 1.048,513 0.946,514 1.075,515 0.995,516 1.037,517 0.662,518 1.019,519 0.99,520 1.108,521 1.053,522 1.102,523 0.862,524 1.084,525 1.115,526 0.993,527 0.924,528 0.968,529 1.154,530 0.932,531 1.632,532 0.943,533 1.091,534 0.949,535 1.417,536 0.971,537 1.323,538 1.078,539 0.969,540 1.021,541 1.514,542 0.97,543 2.309,544 0.855,545 1.288,546 0.89,547 3.113,548 0.976,549 5.5,550 0.11,551 3.333,552 2.396,553 1.366,554 0.799,555 0.553,556 0.322,557 0.232,558 0.135,559 8005,560 13752,561 2.027,562 56.7,563 15,564 10,567 1,569 8,572 1.687,573 1.891,574 3.558,575 -0.408,582 79.332,583 1.322,584 2.845,585 4.243,586 5.102,587 5.336,588 5.336,589 3.09,590 4.258,591 4.657,592 3.724,593 1210.3,594 8.059,595 15401.1,600 354.413,601 1.542,602 4.619,603 0.196,604 0.007,605 0.085,606 0.06,607 0.039,608 0.025,609 0.02,610 0.013,611 0.011,612 0.008,613 0.465,614 0.33,615 1,616 2.25,617 129.009,618 0.02,619 -0.133,620 0.061,621 -0.048,622 -0.005,623 0.002,624 0.306,625 0.07,626 0.073,627 0.038,628 0.247,629 0.033,630 -0.04,631 -0.005,632 0.008,633 0.003,634 0.015,635 0.011,636 -0.045,637 -0.086,638 -0.062,639 -0.092,640 0.012,641 -0.079,642 -0.004,643 -0.042,644 0.065,645 -0.011,646 -0.003,647 0.03,648 -0.083,649 0.007,650 -0.052,651 0.008,652 -0.115,653 -0.018,654 -0.016,655 -0.117,656 0.047,657 -0.059,658 -0.036,659 -0.007,660 -0.181,661 0.132,662 -0.169,663 0.027,664 -0.267,665 -0.06,666 2,667 5.049,668 0.462,669 29.538,670 0.983,671 1.134,672 3.614,673 13.063,674 0.618,675 3.367,676 3.689,677 3.989,678 4.304,679 4.522,680 4.663,681 4.852,682 4.934,683 4.934,684 4.97,685 6.945,686 0.565,687 358.58,688 3.367,689 4.905,690 5.765,691 6.668,692 7.568,693 8.493,694 9.414,695 10.351,696 11.286,697 12.231,698 3.3,701 1,705 1,715 3,720 3,722 6,737 1,741 60,743 7,744 1,745 28,747 62,748 22,749 6,750 3,751 3,756 3,757 6,763 3,764 1,766 1,767 3,770 8,772 7,773 15,777 1,782 1,786 1,793 34,794 4,795 1,796 4,802 2,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 3,868 26,876 10,877 1,878 1,880 1,881 1,882 1,893 3.3,896 1,898 1,901 13.75,902 11.367,903 5.931,904 4.399,907 1.287,908 1.174,909 0.926,910 6.497,911 8.683,912 3.497,913 3.961,914 4.422,915 4.937,916 5.411,917 5.666,918 6.04,919 6.3,920 6.374,921 6.486,922 0.889,923 40,924 9.718,926 4.039,927 0.026,929 7.471,931 19.518,933 16.51,936 1.971,937 51.25,941 388.446,942 97.34,943 21.135,945 36.145,948 97.34,949 424.591,950 21.135,951 26.476,952 42.07,953 28.429,954 25.145,955 25.739,956 6.763,957 388.446,959 388.446,960 118.475,961 36.145,964 294.278,965 130.314,968 71.67,969 46.806,972 388.446,973 57.28,974 97.34,977 388.446,978 42.436,979 58.029,980 18.011,981 36.145,982 388.446,983 57.28,984 97.34,986 0.565,987 0.329,988 0.183,989 0.101,990 18,991 8,992 0.145,993 9,994 2,995 1.333,996 3.818,997 211.871,998 0.333,999 12,1000 122.211,1005 19.538,1006 8.645,1007 4.215,1009 57.28,1010 6.221,1015 3.477,1017 18.011,1018 543.067,1019 32,1024 12.049,1028 -0.333,1031 58.996,1032 68.059,1034 0.224,1035 0.482,1036 0.718,1037 0.864,1038 0.903,1039 0.903,1040 4.766,1041 1.23,1042 5.778,1043 3.492,1044 4.369,1045 4.644,1046 2.351,1047 6.686,1048 4.311,1049 5.933,1050 1.125,1051 7.398,1052 2.989,1053 4.111,1054 4.494,1055 1.847,1056 8.069,1057 4.039,1058 7.249,1059 1.033,1060 9.151,1061 2.309,1062 6.075,1063 6.672,1064 3.504,1065 11.229,1066 5.972,1067 8.609,1068 0.55,1069 10.993,1070 1.947,1071 6.735,1072 7.368,1073 3.598,1074 13.536,1075 6.639,1076 10.016,1077 0.399,1078 12.897,1079 1.068,1080 8.212,1081 9.084,1082 4.907,1083 16.346,1084 8.097,1085 11.455,1086 -0.052,1087 14.845,1088 0.804,1089 9.27,1090 10.151,1091 5.29,1092 18.939,1093 9.166,1094 12.92,1095 -0.297,1096 16.826,1097 -0.112,1098 10.605,1099 11.7,1100 6.387,1101 21.67,1102 10.492,1103 3.685,1104 -0.533,1105 18.831,1106 -0.52,1107 11.818,1108 12.943,1109 6.93,1110 24.342,1111 11.71,1112 2.698,1113 14.944,1114 20.853,1115 -1.093,1116 13.12,1117 14.424,1118 7.902,1119 27.054,1120 13.006,1121 2.435,1122 8.745,1123 22.888,1124 4.16,1125 14.39,1126 15.754,1127 8.539,1128 29.749,1129 14.274,1130 2.251,1131 7.506,1132 24.932,1133 3.315,1134 15.688,1135 17.205,1136 9.436,1137 32.455,1138 15.566,1139 1.994,1140 7.011,1141 26.983,1142 2.876,1143 16.979,1144 18.579,1145 10.13,1146 35.157,1147 16.851,1148 1.758,1149 5.423,1150 29.04,1151 2.522,1152 18.278,1153 20.016,1154 10.981,1155 37.862,1156 18.143,1157 1.422,1158 4.178,1159 31.1,1160 2.402,1161 19.576,1162 21.414,1163 11.71,1164 40.565,1165 19.435,1166 8014,1167 10664,1168 18.375,1169 37.103,1170 41.26,1171 42.431,1172 43.528,1173 41.188,1174 41.158,1175 46.75,1176 6.705,1177 120.829,1178 39.971,1179 5.743,1180 5.899,1181 7.887,1182 5.753,1183 5.685,1184 7.16,1185 3.889,1186 23.408,1187 5.652,1188 13.42,1189 1.474,1190 1.515,1191 1.555,1192 1.471,1193 1.47,1194 1.67,1195 0.239,1196 4.315,1197 1.428,1198 4.1,1199 4.133,1200 4.038,1201 4.029,1202 7.435,1203 4.027,1204 3.772,1205 3.837,1206 3.66,1207 3.625,1208 4.819,1209 3.611,1210 3.725,1211 3.775,1212 3.59,1213 3.59,1214 4.416,1215 3.59,1216 3.551,1217 3.617,1218 3.412,1219 3.382,1220 4.254,1221 3.365,1222 3.493,1223 3.569,1224 3.313,1225 3.309,1226 4.143,1227 3.305,1228 3.287,1229 3.337,1230 3.124,1231 3.077,1232 4.048,1233 3.083,1234 3.14,1235 3.236,1236 2.96,1237 2.942,1238 3.953,1239 2.945,1240 3.126,1241 3.21,1242 2.904,1243 2.929,1244 3.73,1245 2.91,1246 0.171,1247 0.139,1248 0.283,1249 0.167,1250 0.132,1251 4.78,1252 0.149,1253 3.899,1254 0.078,1255 7.934,1256 0.534,1257 4.676,1258 0.13,1259 3.685,1260 4.16,1261 2.186,1262 14.944,1263 3.652,1264 1.911,1265 1.893,1266 2.025,1267 1.998,1268 1.353,1269 2.002,1270 1.764,1271 1.698,1272 2.012,1273 1.936,1274 1.313,1275 1.967,1276 1.701,1277 1.64,1278 1.94,1279 1.893,1280 1.255,1281 1.911,1282 1.624,1283 1.564,1284 1.855,1285 1.777,1286 1.128,1287 1.805,1288 1.5,1289 1.425,1290 1.795,1291 1.738,1292 1.035,1293 1.757,1294 1.387,1295 1.311,1296 1.675,1297 1.605,1298 0.934,1299 1.637,1300 1.193,1301 1.143,1302 1.481,1303 1.487,1304 0.64,1305 1.483,1306 1.079,1307 0.993,1308 1.445,1309 1.316,1310 0.597,1311 1.364,1312 4.043,1314 5.361,1315 3.045,1316 6.882,1317 5.587,1318 8.517,1319 7.832,1320 10.224,1322 6.827,1328 11.156,1329 2.868,1330 5.55,1332 0.597,1333 2.642,1334 0.195,1340 33.901,1341 79.332,1342 170.677,1343 254.6,1344 306.149,1345 320.149,1346 320.149,1347 47.747,1348 7.396,1349 41.57,1350 41.57,1351 16,1352 12.726,1353 3,1354 2.322,1355 44.699,1356 107,1357 140,1358 0.209,1359 209.493,1360 370.2,1361 502.924,1362 15480,1364 18.571,1365 0.714,1366 0.64,1367 18.571,1368 16.644,1369 12.58,1370 0.449,1371 0.372,1372 10.321,1373 12.219,1374 9.99,1375 8.377,1376 12.58,1377 10.413,1378 11.025,1379 0.283,1380 0.208,1381 11.025,1382 8.119,1383 9.171,1384 0.173,1385 0.117,1386 9.171,1387 6.226,1388 7.793,1389 0.107,1390 0.065,1391 7.793,1392 4.747,1393 6.209,1394 0.068,1395 0.037,1396 6.209,1397 3.337,1398 0.334,1399 77.902,1400 0.233,1401 25.493,1402 0.556,1403 134,1404 301.449,1405 144.889,1406 289.027,1407 400.99,1408 272,1409 159,1410 301.064,1411 168.978,1412 302.95,1413 448.67,1414 286,1415 7.208}
{0 CHEMBL1084882,1 1.312,2 14.935,3 6.554,4 42.956,5 126.467,6 6.278,7 0.353,8 4.26,9 4.393,10 3.686,11 3.808,12 5.177,13 3.746,14 4.865,15 5.064,16 4.047,17 4.243,18 5.744,19 4.145,20 5.176,21 5.42,22 4.082,23 4.416,24 5.926,25 4.276,26 5.27,27 5.54,28 4,29 4.405,30 6.015,31 4.237,32 5.227,33 5.511,34 3.979,35 4.311,36 6.002,37 4.159,38 5.093,39 5.34,40 3.924,41 4.251,42 5.927,43 4.115,44 5.05,45 5.305,46 3.882,47 4.204,48 5.906,49 4.06,50 4.982,51 5.237,52 3.734,53 4.074,54 5.924,55 3.936,56 0.071,57 0.924,58 16.226,59 6.871,60 9.568,61 9.645,62 0.397,63 1.565,64 30.049,65 11.701,66 35.754,67 16.881,68 0.286,69 1.993,70 40.467,71 15.678,72 30.648,73 22.663,74 0.343,75 2.093,76 44.458,77 16.641,78 41.776,79 24.281,80 0.378,81 1.94,82 42.827,83 15.35,84 45.725,85 22.433,86 0.444,87 1.713,88 37.958,89 13.826,90 43.012,91 19.571,92 0.287,93 1.664,94 35.863,95 13.447,96 37.668,97 19.274,98 0.503,99 1.512,100 34.371,101 11.492,102 57.304,103 16.496,104 19,105 47,106 0.209,107 0.49,108 0.709,109 0.843,110 0.879,111 0.879,112 3.471,113 1.056,114 -5.64,115 -5.51,116 -5.13,121 40.3,122 2,123 7,125 1,127 3,129 1,144 8,145 3,146 1,161 1,176 19,179 1,180 6,183 2,185 1,187 22,192 7,197 1,200 17,206 10,211 3,214 8,219 9,224 3,227 12,231 1,232 4,237 3,239 16,244 5,249 4,251 18,255 1,256 3,259 1,264 15,269 4,277 13,281 1839,282 21.247,283 21.247,284 21.247,285 21.247,286 21.247,287 19.656,288 24.612,289 13.008,290 21.52,291 16.808,292 16.808,293 16.808,294 16.808,295 16.808,296 14.393,297 32.231,298 6.238,299 17.239,300 4.754,301 2.995,302 1.624,303 0.784,304 0.56,305 0.56,306 4.169,312 1,313 998,314 4.243,317 126.715,318 174.733,320 102.575,321 112.697,324 156.188,325 2.45,326 19.949,329 0.75,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.92,337 65,338 463,339 4.781,340 3.901,341 7.934,342 4.676,343 3.686,344 4.161,345 2.186,346 14.946,347 3.652,348 4.011,349 3.662,350 6.186,351 3.683,352 2.726,353 3.465,354 0.916,355 8.843,356 2.617,357 3.897,358 2.983,359 5.715,360 3.54,361 2.574,362 3.301,363 0.366,364 7.731,365 2.495,366 3.656,367 2.695,368 5.408,369 3.32,370 2.353,371 2.871,372 0.172,373 7.031,374 2.241,375 3.324,376 2.417,377 5.308,378 3.129,379 2.161,380 2.519,382 6.63,383 2.083,384 3.291,385 2.389,386 4.795,387 2.966,388 1.994,389 2.393,391 5.411,392 1.928,393 2.878,394 1.9,395 4.613,396 2.808,397 1.809,398 2.023,400 4.048,401 1.8,402 2.843,403 1.597,404 4.149,405 2.473,406 1.479,407 1.842,409 3.616,410 1.469,411 2.567,412 1.574,413 3.827,414 2.38,415 1.388,416 1.588,418 3.008,419 1.373,420 2.5,421 1.396,422 3.597,423 2.235,424 1.257,425 1.5,427 2.98,428 1.226,429 2.43,430 1.157,431 3.398,432 2.111,433 1.118,434 1.42,436 2.662,437 1.109,438 2.272,439 1.036,440 3.308,441 2,442 1,443 1.258,445 2.136,446 1,447 1.846,448 1,449 3.247,450 1.78,451 0.804,452 0.822,454 1.485,455 0.781,456 1.635,457 0.86,458 2.975,459 1.481,460 0.5,461 0.548,463 1.224,464 0.489,465 1.274,466 0.567,467 2.826,468 1.12,469 0.162,470 0.168,472 0.321,473 0.154,474 14.967,475 0.483,476 0.66,477 0.021,478 33,479 1.065,480 14,481 0.452,482 19,483 0.613,484 33.568,485 1.083,486 34.833,487 0.52,488 22.664,489 0.731,490 5.698,491 0.184,492 9.4,493 0.303,494 0.089,495 0.033,496 0.227,501 0.787,502 1.325,503 0.961,504 1.187,505 0.611,506 1.101,507 0.644,508 1.088,509 0.983,510 1.051,511 0.422,512 1.041,513 0.931,514 1.118,515 1.022,516 1.079,517 0.682,518 1.06,519 0.991,520 1.1,521 1.029,522 1.071,523 0.861,524 1.054,525 1.181,526 0.922,527 0.891,528 0.882,529 1.17,530 0.86,531 1.658,532 0.929,533 1.097,534 0.941,535 1.423,536 0.97,537 1.202,538 1.108,539 0.996,540 1.064,541 1.363,542 1.022,543 2.018,544 0.825,545 1.204,546 0.867,547 2.624,548 0.947,549 6,550 0.135,551 3.333,552 2.458,553 1.472,554 0.83,555 0.781,556 0.438,557 0.299,558 0.156,559 14223,560 26335,561 2.096,562 53.7,563 14,564 15,567 1,569 6,572 1.733,573 1.989,574 3.79,575 -0.457,582 87.929,583 1.312,584 3.071,585 4.442,586 5.282,587 5.506,588 5.506,589 3.361,590 4.696,591 4.909,592 3.974,593 1848.09,594 8.564,595 27388.8,600 406.428,601 1.379,602 4.892,603 0.176,604 0.006,605 0.071,606 0.052,607 0.036,608 0.02,609 0.02,610 0.012,611 0.01,612 0.006,613 0.409,614 0.33,615 0.88,616 1.924,617 164.28,618 0.02,619 -0.085,620 0.063,621 -0.018,622 0.006,623 0.019,624 0.295,625 0.059,626 0.033,627 0.016,628 0.231,629 0.003,630 -0.034,631 -0.074,632 -0.033,633 -0.057,634 0.003,635 -0.047,636 -0.028,637 -0.106,638 -0.044,639 -0.089,640 0.009,641 -0.071,642 -0.008,643 0.041,644 0.109,645 0.068,646 -0.012,647 0.097,648 -0.103,649 0.06,650 -0.058,651 0.042,652 -0.143,653 0.001,654 -0.015,655 -0.12,656 0.009,657 -0.07,658 -0.033,659 -0.035,660 -0.167,661 0.175,662 -0.133,663 0.067,664 -0.267,665 -0.017,666 2.007,667 5.223,668 0.581,669 44.158,670 0.983,671 1.126,672 4.405,673 19.407,674 0.64,675 3.555,676 3.871,677 4.159,678 4.466,679 4.7,680 4.836,681 5.069,682 5.22,683 5.308,684 5.416,685 8.167,686 0.588,687 420.65,688 3.555,689 5.094,690 5.948,691 6.841,692 7.73,693 8.644,694 9.555,695 10.484,696 11.411,697 12.35,698 3,701 1,705 1,715 8,720 4,722 12,737 1,741 67,743 13,744 2,745 34,747 70,748 27,749 12,750 4,751 8,756 4,757 7,763 2,764 1,766 1,767 3,770 8,772 13,773 14,777 1,782 1,786 1,793 36,794 4,795 1,796 4,802 2,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 2,868 31,876 10,877 1,878 1,880 1,881 1,882 1,893 3,896 1,898 1,901 15.583,902 12.283,903 6.931,904 4.635,907 2.189,908 1.271,909 0.954,910 7.22,911 10.262,912 3.738,913 4.234,914 4.71,915 5.226,916 5.712,917 5.864,918 6.252,919 6.575,920 6.776,921 7.044,922 1,923 47,924 11.561,926 4.86,927 0.026,929 7.465,931 23.122,933 19.66,936 1.965,937 60.917,941 411.989,942 139.082,943 21.135,945 36.145,948 139.082,949 448.133,950 21.135,951 17.65,952 42.07,953 75.81,954 25.145,955 28.924,956 6.763,957 411.989,959 411.989,960 160.217,961 36.145,964 341.362,965 106.771,968 62.844,969 97.373,972 411.989,973 57.28,974 139.082,977 411.989,978 45.621,979 96.585,980 18.011,981 36.145,982 411.989,983 57.28,984 139.082,986 0.568,987 0.325,988 0.176,989 0.096,990 22,991 9,992 0.143,993 10,994 2,995 1.222,996 4.371,997 272.954,998 0.222,999 18,1000 149.58,1005 22.203,1006 10.08,1007 5.087,1009 57.28,1010 16.966,1015 4.788,1017 18.011,1018 608.35,1019 41,1024 12.223,1028 -0.34,1031 65.879,1032 75.474,1034 0.216,1035 0.506,1036 0.732,1037 0.871,1038 0.908,1039 0.908,1040 4.99,1041 1.479,1042 5.943,1043 4.048,1044 4.554,1045 4.92,1046 2.401,1047 6.817,1048 4.505,1049 6.158,1050 1.388,1051 7.537,1052 3.616,1053 4.205,1054 4.635,1055 1.847,1056 8.118,1057 4.139,1058 7.46,1059 1.257,1060 9.263,1061 3.008,1062 6.221,1063 6.963,1064 3.519,1065 11.28,1066 6.131,1067 8.803,1068 1.118,1069 11.08,1070 2.98,1071 6.804,1072 7.51,1073 3.603,1074 13.555,1075 6.713,1076 10.191,1077 1,1078 12.963,1079 2.662,1080 8.305,1081 9.341,1082 4.91,1083 16.361,1084 8.199,1085 11.611,1086 0.804,1087 14.895,1088 2.136,1089 9.316,1090 10.283,1091 5.291,1092 18.945,1093 9.215,1094 13.057,1095 0.5,1096 16.862,1097 1.485,1098 10.657,1099 11.906,1100 6.388,1101 21.675,1102 10.547,1103 3.686,1104 0.162,1105 18.857,1106 1.224,1107 11.848,1108 13.057,1109 6.93,1110 24.345,1111 11.739,1112 2.726,1113 14.946,1114 20.872,1115 0.321,1116 13.149,1117 14.578,1118 7.902,1119 27.056,1120 13.034,1121 2.574,1122 8.843,1123 22.902,1124 4.161,1125 14.408,1126 15.845,1127 8.539,1128 29.75,1129 14.291,1130 2.353,1131 7.731,1132 24.942,1133 3.465,1134 15.704,1135 17.316,1136 9.436,1137 32.457,1138 15.58,1139 2.161,1140 7.031,1141 26.991,1142 3.301,1143 16.99,1144 18.649,1145 10.13,1146 35.158,1147 16.861,1148 1.994,1149 6.63,1150 29.045,1151 2.871,1152 18.288,1153 20.094,1154 10.981,1155 37.863,1156 18.152,1157 1.809,1158 5.411,1159 31.104,1160 2.519,1161 19.584,1162 21.466,1163 11.71,1164 40.567,1165 19.441,1166 13722,1167 18833,1168 22.94,1169 42.864,1170 50.232,1171 51.242,1172 51.682,1173 50.023,1174 50.021,1175 59.761,1176 7.283,1177 144.143,1178 48.837,1179 5.745,1180 5.901,1181 7.897,1182 5.755,1183 5.686,1184 7.161,1185 3.889,1186 23.418,1187 5.652,1188 13.033,1189 1.477,1190 1.507,1191 1.52,1192 1.471,1193 1.471,1194 1.758,1195 0.214,1196 4.239,1197 1.436,1198 4.107,1199 4.14,1200 4.045,1201 4.035,1202 7.435,1203 4.033,1204 3.897,1205 3.927,1206 3.825,1207 3.84,1208 4.827,1209 3.832,1210 3.785,1211 3.851,1212 3.649,1213 3.648,1214 4.746,1215 3.631,1216 3.685,1217 3.726,1218 3.577,1219 3.553,1220 4.397,1221 3.555,1222 3.565,1223 3.638,1224 3.426,1225 3.383,1226 4.246,1227 3.375,1228 3.353,1229 3.407,1230 3.207,1231 3.114,1232 4.132,1233 3.135,1234 3.23,1235 3.313,1236 3.065,1237 3.069,1238 4.001,1239 3.058,1240 3.165,1241 3.241,1242 2.984,1243 3.005,1244 3.847,1245 2.991,1246 0.141,1247 0.115,1248 0.233,1249 0.138,1250 0.108,1251 4.781,1252 0.122,1253 3.901,1254 0.064,1255 7.934,1256 0.44,1257 4.676,1258 0.107,1259 3.686,1260 4.161,1261 2.186,1262 14.946,1263 3.652,1264 1.917,1265 1.894,1266 2.045,1267 2.011,1268 1.379,1269 2.024,1270 1.907,1271 1.881,1272 2.039,1273 1.991,1274 1.312,1275 1.999,1276 1.782,1277 1.718,1278 2.009,1279 1.947,1280 1.239,1281 1.979,1282 1.655,1283 1.608,1284 1.862,1285 1.796,1286 1.13,1287 1.819,1288 1.565,1289 1.491,1290 1.851,1291 1.784,1292 1.12,1293 1.806,1294 1.503,1295 1.432,1296 1.732,1297 1.711,1298 0.972,1299 1.726,1300 1.275,1301 1.215,1302 1.578,1303 1.558,1304 0.778,1305 1.561,1306 1.132,1307 1.065,1308 1.452,1309 1.354,1310 0.613,1311 1.385,1312 4.234,1314 5.549,1315 3.045,1316 7.062,1317 5.587,1318 8.681,1319 7.832,1320 10.368,1322 4.593,1328 10.912,1329 2.897,1330 5.62,1332 0.509,1333 2.626,1334 0.124,1340 39.428,1341 87.929,1342 205.781,1343 297.634,1344 353.899,1345 368.918,1346 368.918,1347 53.51,1348 8.073,1349 41.57,1350 41.57,1351 22,1352 12.849,1353 3.807,1354 3,1355 49.794,1356 147,1357 202,1358 0.163,1359 241.279,1360 425.52,1361 580.482,1362 38419,1364 21.684,1365 0.699,1366 0.614,1367 21.684,1368 19.031,1369 15.098,1370 0.444,1371 0.352,1372 11.878,1373 14.74,1374 11.537,1375 9.628,1376 15.098,1377 11.97,1378 13.329,1379 0.284,1380 0.2,1381 13.329,1382 9.393,1383 11.123,1384 0.177,1385 0.114,1386 11.123,1387 7.193,1388 9.387,1389 0.109,1390 0.063,1391 9.387,1392 5.376,1393 7.613,1394 0.07,1395 0.035,1396 7.613,1397 3.809,1398 0.264,1399 93.008,1400 0.209,1401 29.813,1402 0.428,1403 162,1404 361.449,1405 172.889,1406 352.355,1407 490.44,1408 332,1409 191,1410 367.064,1411 201.145,1412 373.236,1413 548.6,1414 352,1415 6.296}
{0 CHEMBL1084883,1 1.456,2 17.588,3 5.673,4 32.18,5 133.365,6 6.862,7 0.333,8 4.285,9 4.401,10 3.77,11 3.774,12 5.334,13 3.747,14 4.842,15 5.025,16 4.072,17 4.128,18 5.915,19 4.068,20 5.09,21 5.316,22 4.069,23 4.246,24 6.011,25 4.152,26 5.127,27 5.38,28 4.003,29 4.202,30 6.05,31 4.09,32 5.051,33 5.29,34 3.94,35 4.147,36 6.006,37 4.038,38 5.048,39 5.297,40 3.893,41 4.087,42 6.004,43 3.979,44 4.949,45 5.181,46 3.802,47 4.043,48 5.89,49 3.935,50 4.909,51 5.135,52 3.799,53 4.038,54 5.86,55 3.925,56 0.011,57 0.913,58 15.292,59 6.634,60 7.861,61 8.775,62 0.493,63 1.432,64 28.84,65 10.481,66 50.284,67 14.515,68 0.369,69 1.697,70 37.837,71 13.415,72 48.444,73 18.68,74 0.591,75 1.705,76 40.17,77 13.364,78 62.345,79 19.176,80 0.434,81 1.6,82 36.854,83 12.48,84 58.778,85 17.7,86 0.56,87 1.541,88 37.355,89 12.051,90 70.097,91 17.19,92 0.551,93 1.441,94 33.611,95 10.951,96 59.902,97 15.342,98 0.391,99 1.395,100 31.727,101 11.14,102 50.662,103 15.532,104 25,105 46,106 0.231,107 0.54,108 0.778,109 0.888,110 0.902,111 0.902,112 3.559,113 0.994,114 -4.9,115 -4.81,116 -4.51,121 39.7,122 1,123 5,126 1,127 4,137 2,144 7,145 2,146 3,160 1,161 1,176 12,179 2,180 11,183 2,185 1,187 12,192 8,197 1,200 8,205 2,206 10,211 3,214 6,218 1,219 7,224 3,227 3,231 1,232 9,237 2,239 4,243 1,244 6,247 1,251 6,255 1,256 5,264 8,268 1,269 4,274 1,277 10,281 2492,282 23.076,283 23.076,284 23.076,285 23.076,286 23.076,287 21.214,288 27.792,289 14.425,290 23.589,291 17.819,292 17.819,293 17.819,294 17.819,295 17.819,296 14.826,297 35.62,298 6.952,299 18.613,300 4.632,301 2.685,302 1.182,303 0.493,304 0.405,305 0.405,306 4.246,312 1,313 1255,314 4.583,318 359.554,322 189.313,325 3.059,326 32.032,329 1,330 0.67,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.83,337 74,338 598,339 4.328,340 3.665,341 6.212,342 3.923,343 2.96,344 3.97,345 2.186,346 9.341,347 2.848,348 4.105,349 3.625,350 5.683,351 3.724,352 2.762,353 3.688,354 1.674,355 8.002,356 2.661,357 3.728,358 3.02,359 5.299,360 3.395,361 2.464,362 3.057,363 0.916,364 6.852,365 2.277,366 3.683,367 2.983,368 5.269,369 3.322,370 2.374,371 2.895,372 0.86,373 6.742,374 2.246,375 3.429,376 2.655,377 4.953,378 3.143,379 2.19,380 2.652,381 0.366,382 5.782,383 2.072,384 3.382,385 2.611,386 4.886,387 3.043,388 2.062,389 2.526,390 0.172,391 5.694,392 1.994,393 3.086,394 2.168,395 4.611,396 2.828,397 1.856,398 2.171,400 4.93,401 1.803,402 2.981,403 1.875,404 4.388,405 2.725,406 1.733,407 2.108,409 4.285,410 1.709,411 2.797,412 1.817,413 3.773,414 2.531,415 1.574,416 1.799,418 3.494,419 1.495,420 2.662,421 1.646,422 3.579,423 2.327,424 1.375,425 1.729,427 2.942,428 1.302,429 2.482,430 1.461,431 3.485,432 2.225,433 1.242,434 1.446,436 2.612,437 1.215,438 2.356,439 1.276,440 3.287,441 2.157,442 1.163,443 1.26,445 2.282,446 1.153,447 2.278,448 0.987,449 3.236,450 1.784,451 0.801,452 1.156,454 1.857,455 0.781,456 1.576,457 0.825,458 2.976,459 1.496,460 0.526,461 0.54,463 0.958,464 0.507,465 1.562,466 0.762,467 2.751,468 1.332,469 0.412,470 0.452,472 0.913,473 0.375,474 15.967,475 0.47,476 0.643,477 0.019,478 39.25,479 1.154,480 18,481 0.529,482 21.25,483 0.625,484 31.199,485 0.918,486 38.633,487 0.568,488 30.562,489 0.899,490 7.67,491 0.226,492 8.86,493 0.261,494 0.104,496 0.244,501 0.78,502 1.417,503 0.859,504 1.269,505 0.585,506 1.103,507 0.774,508 1.07,509 0.943,510 1.064,511 0.459,512 1.025,513 1.057,514 1.069,515 0.975,516 1.041,517 0.771,518 1,519 0.953,520 0.948,521 0.918,522 0.921,523 0.844,524 0.912,525 1.054,526 1.076,527 1.014,528 1.049,529 1.111,530 1.027,531 1.142,532 0.99,533 0.977,534 0.935,535 1.024,536 0.929,537 1.303,538 0.921,539 1.162,540 0.949,541 1.252,542 1.015,543 1.093,544 1.107,545 1.088,546 1.098,547 1.082,548 1.097,549 6.5,550 0.174,551 2.222,552 1.75,553 1.409,554 0.715,555 0.566,556 0.33,557 0.267,558 0.178,559 20432,560 51103,561 2.028,562 50,563 9,564 20,567 1,569 2,570 2,572 1.753,573 1.925,574 4.071,575 -0.392,582 98.982,583 1.456,584 3.402,585 4.905,586 5.595,587 5.683,588 5.683,589 3.557,590 4.852,591 5.055,592 4.276,593 2398.98,594 8.824,595 41898.3,600 413.947,601 1.261,602 5.03,603 0.181,604 0.006,605 0.048,606 0.039,607 0.034,608 0.019,609 0.016,610 0.01,611 0.008,612 0.006,613 0.366,614 0.17,615 0.75,616 1.71,617 190.757,618 -0.012,619 -0.177,620 0.054,621 -0.104,622 -0.014,623 -0.027,624 0.196,625 0.059,626 0.028,627 -0.024,628 0.22,629 -0.022,630 -0.075,631 -0.062,632 0.005,633 -0.035,634 -0.011,635 -0.005,636 0.035,637 0.024,638 0.074,639 0.041,640 0.028,641 0.062,642 -0.049,643 -0.084,644 -0.025,645 -0.072,646 -0.063,647 -0.049,648 -0.03,649 -0.036,650 0.033,651 0.016,652 -0.004,653 0.032,654 -0.144,655 0.086,656 -0.149,657 0.009,658 -0.165,659 -0.06,660 -0.075,661 -0.111,662 -0.104,663 -0.099,664 -0.084,665 -0.108,666 2.077,667 4.98,668 0.471,669 49.799,670 1,671 1.128,672 3.673,673 13.494,674 0.639,675 3.611,676 3.85,677 4.007,678 4.22,679 4.407,680 4.407,681 4.419,682 4.511,683 4.466,684 4.382,685 10.056,686 0.604,687 466.63,688 3.611,689 5.106,690 5.9,691 6.732,692 7.545,693 8.385,694 9.208,695 10.054,696 10.882,697 11.731,698 2.9,701 1,705 1,715 7,720 5,722 12,737 1,739 1,741 68,743 15,744 2,745 36,747 70,748 27,749 12,750 5,751 7,752 3,756 3,757 4,763 1,770 5,772 16,773 11,777 3,782 2,784 2,786 2,793 34,794 7,795 1,796 7,802 2,808 0.667,809 5,829 3,833 1,846 1,849 2,855 1,859 2,864 2,868 34,876 9,877 1,878 3,881 1,893 7.4,896 2,898 3,901 17.667,902 12.533,903 7.778,904 4.428,907 2.663,908 1.35,909 0.937,910 10.612,911 10.268,912 3.829,913 4.29,914 4.723,915 5.223,916 5.72,917 5.865,918 6.03,919 6.316,920 6.323,921 6.106,922 0.917,923 45,924 12.601,926 5.116,927 0.026,929 7.74,931 24.248,933 19.04,936 2.24,937 76.167,941 388.446,942 162.145,943 21.135,945 83.29,948 162.145,949 471.736,950 21.135,951 17.222,952 41.593,953 85.286,954 57.481,955 58.225,956 6.763,957 388.446,959 388.446,960 183.28,961 83.29,964 341.362,965 130.374,968 53.542,969 110.785,970 18.952,972 388.446,973 104.425,974 162.145,977 388.446,978 59.637,979 105.632,980 18.011,981 83.29,982 388.446,983 104.425,984 162.145,986 0.556,987 0.3,988 0.16,989 0.088,990 17,991 8,992 0.2,993 14,994 1,995 1.125,996 4.781,997 275.29,998 0.125,999 16,1000 172.974,1005 25.951,1006 13.903,1007 9.254,1009 104.425,1010 13.097,1015 3.68,1017 18.011,1018 655.016,1019 45,1024 23.367,1026 3.145,1028 -0.782,1031 67.978,1032 76.687,1034 0.239,1035 0.559,1036 0.806,1037 0.919,1038 0.934,1039 0.934,1040 5.03,1041 1.733,1042 5.832,1043 4.93,1044 4.533,1045 4.977,1046 2.897,1047 6.521,1048 4.447,1049 6.173,1050 1.574,1051 7.307,1052 4.285,1053 3.892,1054 4.59,1055 1.847,1056 7.125,1057 3.755,1058 7.427,1059 1.375,1060 8.876,1061 3.494,1062 6.004,1063 6.994,1064 3.923,1065 10.189,1066 5.828,1067 8.712,1068 1.242,1069 10.5,1070 2.942,1071 6.155,1072 7.409,1073 3.603,1074 11.624,1075 5.922,1076 10.028,1077 1.163,1078 12.16,1079 2.612,1080 7.712,1081 9.304,1082 5.196,1083 14.177,1084 7.45,1085 11.366,1086 0.801,1087 13.847,1088 2.282,1089 8.278,1090 10.125,1091 5.291,1092 16.006,1093 7.961,1094 12.722,1095 0.526,1096 15.552,1097 1.857,1098 9.572,1099 11.783,1100 6.578,1101 18.357,1102 9.23,1103 2.96,1104 0.412,1105 17.273,1106 0.958,1107 10.367,1108 12.829,1109 6.93,1110 20.385,1111 9.976,1112 2.762,1113 9.341,1114 19.007,1115 0.913,1116 11.533,1117 14.36,1118 8.023,1119 22.653,1120 11.116,1121 2.464,1122 8.002,1123 20.752,1124 3.97,1125 12.454,1126 15.537,1127 8.539,1128 24.78,1129 11.992,1130 2.374,1131 6.852,1132 22.506,1133 3.688,1134 13.56,1135 16.996,1136 9.51,1137 27.017,1138 13.07,1139 2.19,1140 6.742,1141 24.269,1142 3.057,1143 14.548,1144 18.25,1145 10.13,1146 29.194,1147 14.017,1148 2.062,1149 5.782,1150 26.038,1151 2.895,1152 15.628,1153 19.669,1154 11.027,1155 31.421,1156 15.066,1157 1.856,1158 5.694,1159 27.814,1160 2.652,1161 16.653,1162 20.968,1163 11.71,1164 33.622,1165 16.052,1166 19908,1167 31815,1168 24.038,1169 43.466,1170 51.453,1171 53.465,1172 52.149,1173 50.996,1174 50.986,1175 62.9,1176 12.351,1177 133.372,1178 48.877,1179 5.268,1180 5.665,1181 6.165,1182 5.014,1183 4.96,1184 6.97,1185 3.889,1186 15.741,1187 4.848,1188 16.584,1189 1.429,1190 1.485,1191 1.449,1192 1.417,1193 1.416,1194 1.747,1195 0.343,1196 3.705,1197 1.358,1198 3.994,1199 4.012,1200 3.947,1201 3.903,1202 7.436,1203 3.909,1204 3.933,1205 3.955,1206 3.875,1207 3.852,1208 7.432,1209 3.853,1210 3.759,1211 3.827,1212 3.607,1213 3.622,1214 4.905,1215 3.605,1216 3.679,1217 3.739,1218 3.552,1219 3.496,1220 4.812,1221 3.498,1222 3.536,1223 3.601,1224 3.441,1225 3.346,1226 4.511,1227 3.359,1228 3.496,1229 3.522,1230 3.393,1231 3.313,1232 4.309,1233 3.315,1234 3.326,1235 3.39,1236 3.164,1237 3.128,1238 4.238,1239 3.127,1240 3.261,1241 3.317,1242 3.099,1243 2.998,1244 4.146,1245 3.026,1246 0.12,1247 0.102,1248 0.173,1249 0.109,1250 0.082,1251 4.328,1252 0.11,1253 3.665,1254 0.061,1255 6.212,1256 0.259,1257 3.923,1258 0.079,1259 2.96,1260 3.97,1261 2.186,1262 9.341,1263 2.848,1264 1.931,1265 1.92,1266 2.036,1267 2.042,1268 1.353,1269 2.037,1270 1.91,1271 1.885,1272 2.023,1273 2.02,1274 1.254,1275 2.018,1276 1.764,1277 1.698,1278 2.012,1279 1.939,1280 1.13,1281 1.969,1282 1.649,1283 1.586,1284 1.883,1285 1.855,1286 1.095,1287 1.865,1288 1.499,1289 1.426,1290 1.795,1291 1.742,1292 1.035,1293 1.758,1294 1.439,1295 1.411,1296 1.644,1297 1.641,1298 0.783,1299 1.636,1300 1.307,1301 1.235,1302 1.562,1303 1.527,1304 0.639,1305 1.541,1306 1.177,1307 1.123,1308 1.476,1309 1.48,1310 0.598,1311 1.477,1312 4.29,1314 5.549,1316 6.986,1318 8.514,1320 10.097,1322 4.204,1328 8.03,1329 2.804,1330 16.432,1333 2.19,1340 41.046,1341 98.982,1342 231.363,1343 333.567,1344 380.438,1345 386.438,1346 386.438,1347 73.136,1348 7.605,1349 81.01,1350 81.01,1351 18,1352 12.295,1353 4,1354 3.322,1355 68.003,1356 206,1357 230,1358 0.154,1359 254.807,1360 458.97,1361 613.488,1362 26626,1364 24.175,1365 0.711,1366 0.59,1367 24.175,1368 20.049,1369 16.529,1370 0.459,1371 0.331,1372 11.758,1373 15.828,1374 11.466,1375 9.621,1376 16.529,1377 11.932,1378 14.185,1379 0.308,1380 0.183,1381 14.185,1382 8.418,1383 10.706,1384 0.198,1385 0.1,1386 10.706,1387 5.409,1388 8.715,1389 0.13,1390 0.054,1391 8.715,1392 3.639,1393 6.826,1394 0.084,1395 0.028,1396 6.826,1397 2.299,1398 0.258,1399 104.022,1400 0.204,1401 32.971,1402 0.381,1403 164,1404 516.656,1405 184.297,1406 482.81,1407 647.49,1408 452,1409 182,1410 465.723,1411 200.116,1412 464.421,1413 672.66,1414 435,1415 7.886}
{0 CHEMBL1085011,1 1.337,2 12.72,3 5.113,4 26.145,5 102.128,6 6.045,7 0.222,8 4.096,9 4.235,10 3.482,11 3.598,12 4.971,13 3.535,14 4.719,15 4.932,16 3.821,17 4.025,18 5.571,19 3.918,20 5.015,21 5.285,22 3.814,23 4.162,24 5.718,25 4.013,26 5.014,27 5.284,28 3.759,29 4.13,30 5.769,31 3.97,32 4.993,33 5.275,34 3.683,35 4.03,36 5.776,37 3.872,38 4.853,39 5.123,40 3.549,41 3.896,42 5.668,43 3.743,44 4.72,45 4.992,46 3.457,47 3.761,48 5.563,49 3.618,50 4.557,51 4.792,52 3.351,53 3.629,54 5.549,55 3.506,56 0.062,57 0.794,58 14.302,59 5.762,60 7.282,61 8.284,62 0.385,63 1.311,64 26.465,65 9.663,66 32.352,67 14.331,68 0.293,69 1.58,70 34.407,71 12.261,72 26.331,73 18.333,74 0.286,75 1.536,76 34.317,77 12.327,78 33.118,79 18.253,80 0.332,81 1.431,82 33.687,83 11.327,84 36.992,85 16.958,86 0.38,87 1.228,88 29.603,89 9.904,90 34.225,91 14.585,92 0.272,93 1.081,94 25.819,95 8.516,96 28.544,97 12.678,98 0.375,99 0.932,100 22.669,101 7.151,102 40.863,103 10.409,104 24,105 36,106 0.224,107 0.482,108 0.721,109 0.848,110 0.889,111 0.889,112 3.266,113 1.117,114 -4.63,115 -4.55,116 -4.28,121 36.8,122 2,123 7,124 1,127 3,129 1,144 3,145 2,146 1,161 1,176 12,179 1,180 6,183 2,185 1,187 13,192 5,197 1,200 10,206 8,211 3,214 6,219 7,224 3,227 6,231 1,232 4,237 3,239 6,244 4,249 2,251 7,255 1,256 3,259 1,264 7,269 1,277 8,281 971,282 17.292,283 17.292,284 17.292,285 17.292,286 17.292,287 16.438,288 21.27,289 10.74,290 17.576,291 13.317,292 13.317,293 13.317,294 13.317,295 13.317,296 11.919,297 25.418,298 5.047,299 13.768,300 4.495,301 2.954,302 1.523,303 0.763,304 0.518,305 0.518,306 3.951,311 1,312 1,313 672,314 3.873,317 100.645,318 59.13,320 81.779,321 87.593,324 123.252,325 1.971,326 17.324,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 53,338 318,339 4.47,340 3.669,341 6.876,342 4.268,343 3.285,344 4.007,345 2.186,346 11.525,347 3.232,348 3.909,349 3.518,350 6.017,351 3.628,352 2.684,353 3.142,354 0.8,355 8.572,356 2.531,357 3.657,358 2.864,359 5.433,360 3.366,361 2.425,362 2.802,363 0.366,364 7.172,365 2.259,366 3.33,367 2.501,368 5.126,369 2.992,370 2.027,371 2.519,373 5.819,374 1.945,375 3.055,376 2.138,377 4.796,378 2.853,379 1.863,380 2.174,382 5.421,383 1.842,384 2.797,385 1.875,386 4.463,387 2.756,388 1.758,389 1.795,391 4.044,392 1.75,393 2.543,394 1.55,395 3.793,396 2.398,397 1.417,398 1.548,400 3.492,401 1.388,402 2.286,403 1.461,404 3.772,405 2.217,406 1.23,407 1.272,409 2.743,410 1.209,411 2.255,412 1.191,413 3.267,414 2.107,415 1.12,416 1.231,418 2.308,419 1.104,420 1.983,421 0.95,422 3.214,423 1.884,424 0.899,425 0.964,427 1.743,428 0.884,429 1.6,430 0.889,431 3.006,432 1.513,433 0.549,434 0.565,436 1.058,437 0.525,438 1.533,439 0.751,440 2.771,441 1.362,442 0.375,443 0.413,445 0.778,446 0.369,447 1.063,448 0.44,449 2.407,450 0.82,451 -0.123,452 -0.132,454 -0.259,455 -0.115,456 0.817,457 -0.008,458 2.315,459 0.668,460 -0.333,461 -0.364,463 -0.597,464 -0.328,465 0.608,466 -0.235,467 2.116,468 0.423,469 -0.55,470 -0.594,472 -1.09,473 -0.532,474 11.967,475 0.479,476 0.448,477 0.018,478 23.5,479 0.94,480 8,481 0.32,482 15.5,483 0.62,484 26.821,485 1.073,486 29.433,487 0.516,488 14.372,489 0.575,490 3.759,491 0.15,492 8.465,493 0.339,494 0.111,496 0.284,501 0.794,502 1.474,503 1.005,504 1.307,505 0.59,506 1.193,507 0.633,508 1.169,509 1.016,510 1.123,511 0.394,512 1.104,513 0.958,514 1.005,515 0.967,516 0.98,517 0.663,518 0.97,519 1.001,520 1.087,521 0.995,522 1.068,523 0.908,524 1.036,525 1.245,526 0.999,527 0.965,528 0.965,529 1.278,530 0.939,531 1.501,532 0.961,533 1.059,534 0.961,535 1.434,536 0.969,537 1.46,538 1.007,539 0.995,540 0.963,541 1.685,542 0.936,543 2.08,544 0.977,545 1.296,546 1.021,547 2.705,548 1.075,549 4,550 0.094,551 2.222,552 1.576,553 1.103,554 0.625,555 0.471,556 0.291,557 0.207,558 0.115,559 7516,560 13079,561 2.062,562 56.1,563 12,564 10,567 1,569 9,572 1.675,573 1.948,574 3.59,575 -0.396,582 76.236,583 1.337,584 2.879,585 4.31,586 5.07,587 5.315,588 5.315,589 3.113,590 4.484,591 4.602,592 3.736,593 1120.87,594 7.941,595 14079,600 332.475,601 1.323,602 4.583,603 0.148,604 0.006,605 0.062,606 0.045,607 0.034,608 0.022,609 0.019,610 0.013,611 0.01,612 0.007,613 0.366,614 0.33,615 1,616 2.25,617 123.17,618 0.017,619 -0.139,620 0.062,621 -0.05,622 0.012,623 0.001,624 0.297,625 0.013,626 0.02,627 -0.026,628 0.24,629 -0.031,630 -0.042,631 0.028,632 0.023,633 0.025,634 0.014,635 0.033,636 -0.026,637 -0.082,638 -0.007,639 -0.061,640 0.027,641 -0.035,642 -0.042,643 -0.04,644 0.039,645 -0.009,646 -0.03,647 0.02,648 -0.049,649 -0.003,650 -0.027,651 -0.001,652 -0.101,653 -0.012,654 -0.069,655 -0.046,656 0.032,657 -0.007,658 -0.109,659 0.02,660 -0.124,661 0.04,662 -0.188,663 -0.057,664 -0.207,665 -0.124,666 1.995,667 4.969,668 0.48,669 28.515,670 0.984,671 1.134,672 3.396,673 11.53,674 0.62,675 3.332,676 3.611,677 3.892,678 4.205,679 4.407,680 4.575,681 4.762,682 4.852,683 4.852,684 4.905,685 6.987,686 0.568,687 344.55,688 3.332,689 4.844,690 5.687,691 6.564,692 7.441,693 8.338,694 9.235,695 10.144,696 11.052,697 11.968,698 3.5,701 1,705 1,715 3,720 3,722 6,737 1,741 57,743 7,744 1,745 27,747 59,748 21,749 6,750 3,751 3,756 3,757 6,763 2,767 3,768 1,770 8,772 7,773 14,774 1,777 1,782 1,786 1,793 32,794 4,795 1,796 4,802 2,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 2,868 25,876 10,877 1,878 1,880 2,881 1,893 3.5,896 1,898 1,901 12.833,902 10.45,903 5.778,904 4.239,907 1.29,908 1.176,909 0.939,910 6.634,911 8.605,912 3.466,913 3.902,914 4.347,915 4.863,916 5.33,917 5.589,918 5.944,919 6.228,920 6.28,921 6.42,922 0.889,923 35,924 9.343,926 3.869,927 0.026,929 7.473,931 18.783,933 15.807,936 1.973,937 49.333,938 0.001,940 1,941 364.904,942 88.515,943 21.135,945 36.145,948 88.515,949 401.049,950 21.135,951 17.65,952 42.07,953 28.429,954 25.145,955 25.739,956 6.763,957 364.904,959 364.904,960 109.65,961 36.145,964 258.964,965 142.085,968 62.844,969 46.806,972 364.904,973 57.28,974 88.515,977 364.904,978 42.436,979 49.203,980 18.011,981 36.145,982 364.904,983 57.28,984 88.515,986 0.554,987 0.318,988 0.18,989 0.098,990 16,991 7,992 0.153,993 9,994 2,995 1.333,996 3.829,997 195.801,998 0.333,999 12,1000 116.096,1005 18.567,1006 8.933,1007 4.495,1009 57.28,1010 6.203,1015 3.513,1017 18.011,1018 510.699,1019 31,1024 11.969,1028 -0.329,1031 56.112,1032 64.643,1034 0.229,1035 0.494,1036 0.739,1037 0.869,1038 0.911,1039 0.911,1040 4.705,1041 1.23,1042 5.645,1043 3.492,1044 4.29,1045 4.585,1046 2.351,1047 6.454,1048 4.227,1049 5.83,1050 1.12,1051 7.191,1052 2.743,1053 3.761,1054 4.27,1055 1.847,1056 7.357,1057 3.657,1058 7.1,1059 0.899,1060 8.844,1061 2.308,1062 5.855,1063 6.551,1064 3.504,1065 10.515,1066 5.726,1067 8.406,1068 0.549,1069 10.566,1070 1.743,1071 6.236,1072 7.108,1073 3.598,1074 12.339,1075 6.08,1076 9.754,1077 0.375,1078 12.333,1079 1.058,1080 7.753,1081 8.882,1082 4.907,1083 15.005,1084 7.578,1085 11.13,1086 -0.123,1087 14.132,1088 0.778,1089 8.571,1090 9.839,1091 5.29,1092 17.202,1093 8.383,1094 12.527,1095 -0.333,1096 15.957,1097 -0.259,1098 9.865,1099 11.415,1100 6.387,1101 19.713,1102 9.662,1103 3.285,1104 -0.55,1105 17.8,1106 -0.597,1107 10.886,1108 12.57,1109 6.93,1110 22.058,1111 10.676,1112 2.684,1113 11.525,1114 19.658,1115 -1.09,1116 12.098,1117 14.056,1118 7.902,1119 24.521,1120 11.876,1121 2.425,1122 8.572,1123 21.528,1124 4.007,1125 13.21,1126 15.316,1127 8.539,1128 26.924,1129 12.98,1130 2.027,1131 7.172,1132 23.407,1133 3.142,1134 14.396,1135 16.757,1136 9.436,1137 29.372,1138 14.156,1139 1.863,1140 5.819,1141 25.295,1142 2.802,1143 15.548,1144 18.073,1145 10.13,1146 31.798,1147 15.298,1148 1.758,1149 5.421,1150 27.189,1151 2.519,1152 16.729,1153 19.49,1154 10.981,1155 34.243,1156 16.468,1157 1.417,1158 4.044,1159 29.089,1160 2.174,1161 17.898,1162 20.838,1163 11.71,1164 36.679,1165 17.626,1166 7479,1167 10026,1168 18.087,1169 35.341,1170 39.28,1171 40.394,1172 41.065,1173 39.311,1174 39.266,1175 44.864,1176 6.705,1177 109.352,1178 38.075,1179 5.432,1180 5.669,1181 6.829,1182 5.346,1183 5.285,1184 7.007,1185 3.889,1186 18.879,1187 5.232,1188 11.65,1189 1.455,1190 1.496,1191 1.521,1192 1.456,1193 1.454,1194 1.662,1195 0.248,1196 4.05,1197 1.41,1198 4.084,1199 4.118,1200 4.018,1201 4.008,1202 7.435,1203 4.006,1204 3.771,1205 3.836,1206 3.653,1207 3.624,1208 4.814,1209 3.609,1210 3.722,1211 3.774,1212 3.588,1213 3.579,1214 4.392,1215 3.58,1216 3.546,1217 3.612,1218 3.411,1219 3.363,1220 4.253,1221 3.35,1222 3.479,1223 3.556,1224 3.29,1225 3.307,1226 4.143,1227 3.299,1228 3.285,1229 3.337,1230 3.122,1231 3.073,1232 4.028,1233 3.08,1234 3.133,1235 3.211,1236 2.956,1237 2.937,1238 3.937,1239 2.942,1240 2.955,1241 3.051,1242 2.774,1243 2.789,1244 3.633,1245 2.775,1246 0.166,1247 0.136,1248 0.255,1249 0.158,1250 0.122,1251 4.47,1252 0.148,1253 3.669,1254 0.081,1255 6.876,1256 0.427,1257 4.268,1258 0.12,1259 3.285,1260 4.007,1261 2.186,1262 11.525,1263 3.232,1264 1.901,1265 1.883,1266 2.025,1267 1.992,1268 1.353,1269 1.995,1270 1.764,1271 1.698,1272 2.002,1273 1.935,1274 1.278,1275 1.966,1276 1.686,1277 1.616,1278 1.934,1279 1.887,1280 1.254,1281 1.905,1282 1.569,1283 1.513,1284 1.804,1285 1.746,1286 1.126,1287 1.761,1288 1.5,1289 1.425,1290 1.794,1291 1.71,1292 1.035,1293 1.745,1294 1.387,1295 1.311,1296 1.671,1297 1.605,1298 0.933,1299 1.636,1300 1.183,1301 1.134,1302 1.475,1303 1.484,1304 0.64,1305 1.478,1306 1.009,1307 0.935,1308 1.328,1309 1.246,1310 0.512,1311 1.274,1312 4.007,1314 5.293,1315 3.045,1316 6.77,1317 5.476,1318 8.352,1319 7.636,1320 10.004,1322 4.439,1328 11.278,1329 2.858,1330 5.505,1332 1.264,1333 2.633,1340 32.374,1341 76.236,1342 164.094,1343 245.681,1344 288.965,1345 302.965,1346 302.965,1347 42.402,1348 7.315,1349 41.57,1350 41.57,1351 16,1352 12.482,1353 3,1354 2.322,1355 42.134,1356 103,1357 131,1358 0.202,1359 199.901,1360 352.9,1361 479.518,1362 14308,1364 17.648,1365 0.706,1366 0.629,1367 17.648,1368 15.722,1369 12.224,1370 0.453,1371 0.372,1372 9.959,1373 11.862,1374 9.707,1375 8.121,1376 12.224,1377 10.051,1378 10.336,1379 0.287,1380 0.207,1381 10.336,1382 7.44,1383 8.503,1384 0.177,1385 0.117,1386 8.503,1387 5.628,1388 7.335,1389 0.111,1390 0.067,1391 7.335,1392 4.395,1393 5.737,1394 0.071,1395 0.037,1396 5.737,1397 3.006,1398 0.324,1399 75.766,1400 0.235,1401 24.821,1402 0.531,1403 126,1404 293.449,1405 136.889,1406 279.952,1407 386.91,1408 264,1409 147,1410 288.064,1411 156.812,1412 288.05,1413 425.54,1414 273,1415 6.263}
{0 CHEMBL1085017,1 1.529,2 7.875,3 4.981,4 24.811,5 92.849,6 7.79,7 0.63,8 3.83,9 3.941,10 3.446,11 3.435,12 4.97,13 3.411,14 4.351,15 4.496,16 3.806,17 3.848,18 5.557,19 3.801,20 4.643,21 4.855,22 3.883,23 3.969,24 5.668,25 3.903,26 4.649,27 4.866,28 3.804,29 3.91,30 5.703,31 3.843,32 4.561,33 4.761,34 3.801,35 3.917,36 5.589,37 3.85,38 4.606,39 4.795,40 3.833,41 3.967,42 5.74,43 3.882,44 4.678,45 4.904,46 3.669,47 3.906,48 5.682,49 3.791,50 4.574,51 4.832,52 3.37,53 3.596,54 5.661,55 3.475,56 0.117,57 0.595,58 7.553,59 3.616,60 7.218,61 4.635,62 0.136,63 0.971,64 13.873,65 6.456,66 38.01,67 8.415,68 0.153,69 1.285,70 21.366,71 8.269,72 27.181,73 11.331,74 0.295,75 1.273,76 22.358,77 7.911,78 43.617,79 10.513,80 0.236,81 1.172,82 19.53,83 7.713,84 28.572,85 10.161,86 0.295,87 1.198,88 19.894,89 8.451,90 37.743,91 11.381,92 0.173,93 1.23,94 23.265,95 9.41,96 35.764,97 12.706,98 0.269,99 1.054,100 23.102,101 8.003,102 50.928,103 10.782,104 6,105 38,106 0.265,107 0.579,108 0.703,109 0.812,110 0.853,111 0.853,112 3.23,113 0.905,114 -4.88,115 -4.79,116 -4.5,121 46.3,123 4,144 8,145 2,146 3,148 2,168 2,176 10,179 1,180 6,185 4,187 11,192 10,197 4,200 8,206 5,209 1,211 4,214 9,218 1,219 1,222 1,224 2,227 15,231 2,232 5,235 2,239 16,244 8,251 13,256 12,264 7,269 7,277 2,281 834,282 16.499,283 16.499,284 16.499,285 16.499,286 16.499,287 14.184,288 18.317,289 9.827,290 16.66,291 13.371,292 13.371,293 13.371,294 13.371,295 13.371,296 9.861,297 22.551,298 4.704,299 13.644,300 3.828,301 2.018,302 1.305,303 0.671,304 0.439,305 0.439,306 3.932,311 1,312 1,313 413,314 2.739,318 196.428,322 154.291,325 1.073,326 22.14,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 51.5,338 189,339 4.669,340 3.782,341 6.847,342 4.231,343 3.252,344 4.602,345 2.612,346 11.428,347 3.184,348 4.2,349 3.368,350 6.077,351 3.728,352 2.752,353 3.837,354 0.4,355 8.739,356 2.685,357 3.9,358 2.71,359 5.791,360 3.493,361 2.521,362 3.454,364 7.689,365 2.449,366 3.824,367 2.623,368 5.505,369 3.36,370 2.38,371 3.319,373 7.311,374 2.327,375 3.475,376 2.204,377 5.188,378 3.039,379 2.072,380 2.861,382 6.273,383 2,384 2.963,385 1.888,386 4.141,387 2.461,388 1.476,389 2.102,391 3.385,392 1.453,393 2.889,394 1.582,395 3.901,396 2.42,397 1.427,398 2.051,400 3.26,401 1.415,402 2.587,403 1.444,404 3.745,405 2.268,406 1.269,407 1.613,409 3.045,410 1.267,411 2.5,412 1.394,413 3.613,414 2.201,415 1.208,416 1.5,418 2.877,419 1.199,420 2.493,421 1,422 3.474,423 2,424 1,425 1.491,427 2.136,428 1,429 1.995,430 1,431 3.247,432 1.778,433 0.797,434 0.932,436 2.07,437 0.781,438 1.515,439 0.934,440 2.973,441 1.124,442 0.17,443 0.219,445 0.452,446 0.162,447 1,448 0.324,449 2.623,450 0.626,451 -0.349,452 -0.448,454 -0.882,455 -0.34,456 0.996,457 -0.194,458 2.516,459 0.564,460 -0.411,461 -0.523,463 -1.06,464 -0.399,465 0.953,466 -0.303,467 2.299,468 0.163,469 -0.832,470 -0.985,472 -2,473 -0.827,474 11.367,475 0.474,476 0.538,477 0.022,478 34.75,479 1.448,480 19.5,481 0.813,482 15.25,483 0.635,484 17.038,485 0.71,486 24.633,487 0.601,488 23.83,489 0.993,490 6.523,491 0.272,492 5.197,493 0.217,494 0.059,496 0.343,501 0.373,502 1.015,503 0.707,504 0.884,505 0.457,506 0.855,507 0.443,508 1.244,509 0.804,510 1.107,511 0.33,512 1.03,513 0.684,514 1.15,515 0.852,516 0.999,517 0.44,518 0.949,519 1.095,520 0.977,521 1.039,522 0.911,523 0.917,524 0.943,525 0.838,526 0.856,527 0.957,528 0.913,529 0.743,530 0.938,531 0.468,532 1.049,533 0.966,534 1.133,535 0.518,536 1.132,537 0.779,538 1.125,539 1.035,540 1.202,541 0.817,542 1.17,543 1.239,544 1.014,545 1.1,546 1.094,547 1.269,548 1.077,549 4,550 0.025,551 2.444,552 1.313,553 1.622,554 0.847,555 0.487,556 0.394,557 0.188,558 0.076,559 5837,560 15743,561 2.161,562 41.5,563 6,564 8,567 1,568 2,572 1.678,573 2.057,574 2.991,575 -0.342,582 62.707,583 1.529,584 3.339,585 4.052,586 4.687,587 4.919,588 4.919,589 2.402,590 4.002,591 4.555,592 3.121,593 861.481,594 7.912,595 9850.64,597 1,600 219.66,601 1.281,602 4.532,603 0.148,604 0.012,605 0.064,606 0.033,607 0.045,608 0.023,609 0.013,610 0.013,611 0.009,612 0.008,613 0.37,614 0.33,615 1,616 0.681,617 110.912,618 0.248,619 0.097,620 0.061,621 0.091,622 0.029,623 0.047,624 0.186,625 -0.211,626 0.022,627 -0.114,628 0.245,629 -0.082,630 -0.007,631 -0.122,632 0.075,633 -0.035,634 0.068,635 0.024,636 -0.134,637 0.063,638 -0.069,639 0.029,640 -0.08,641 0.001,642 -0.039,643 0.174,644 -0.035,645 0.055,646 -0.051,647 0.021,648 0.247,649 -0.053,650 -0.065,651 -0.144,652 0.142,653 -0.156,654 -0.005,655 -0.199,656 -0.066,657 -0.198,658 -0.032,659 -0.151,660 -0.084,661 -0.108,662 -0.024,663 -0.119,664 -0.05,665 -0.067,666 2.356,667 4.168,668 0.833,669 17.917,670 1.004,671 1.118,672 3.654,673 13.349,674 0.689,675 3.332,676 3.664,677 3.97,678 4.277,679 4.615,680 4.745,681 4.927,682 5.094,683 5.204,684 5.13,685 5.054,686 0.663,687 319.39,688 3.332,689 4.875,690 5.74,691 6.629,692 7.519,693 8.42,694 9.321,695 10.228,696 11.134,697 12.045,698 7.3,706 1,708 1,709 1,714 2,715 8,716 1,720 5,722 17,734 1,735 1,741 41,743 19,744 2,745 27,747 44,748 19,749 15,750 4,751 8,756 4,757 7,767 4,770 4,772 15,773 4,777 2,779 1,782 2,793 17,794 4,795 1,796 5,802 3,808 0.5,809 2,822 1,829 4,833 2,859 2,868 24,876 4,877 1,893 4.9,899 2,901 11.667,902 7.4,903 5.222,904 2.647,907 3.473,908 1.461,909 1.029,910 3.812,911 11.004,912 3.651,913 4.304,914 4.918,915 5.549,916 6.216,917 6.625,918 7.097,919 7.552,920 7.965,921 8.122,922 1,923 40,924 8.872,926 3.866,927 0.026,929 7.799,931 17.018,933 14.408,936 2.299,937 55.167,940 1,941 188.338,942 104.878,943 40.466,945 50.747,948 104.878,949 239.085,950 40.466,951 5.67,952 10.138,953 75.81,954 16.786,955 36.94,957 188.338,958 50.747,959 188.338,960 145.344,961 50.747,964 188.338,966 50.747,968 33.05,969 89.839,970 22.456,972 188.338,973 91.213,974 104.878,977 188.338,978 29.068,979 81.48,980 18.011,981 67.532,982 188.338,983 91.213,984 104.878,986 0.58,987 0.339,988 0.188,989 0.115,990 20,991 8,992 0.068,993 3,994 2,995 1.2,996 3.559,997 208.646,998 0.2,999 20,1000 104.039,1005 14.949,1006 6.121,1007 2.834,1008 1.619,1009 85.543,1010 14.812,1011 4.756,1015 4.337,1017 18.011,1018 384.429,1019 37.5,1021 -0.356,1024 22.335,1031 41.145,1032 45.82,1034 0.285,1035 0.623,1036 0.756,1037 0.875,1038 0.918,1039 0.918,1040 4.877,1041 1.269,1042 5.72,1043 3.26,1044 4.344,1045 4.99,1046 2.527,1047 6.55,1048 4.302,1049 6.099,1050 1.208,1051 7.284,1052 3.045,1053 3.892,1054 4.89,1055 2.361,1056 7.479,1057 3.816,1058 7.422,1059 1,1060 8.952,1061 2.877,1062 5.943,1063 7.278,1064 4.155,1065 10.621,1066 5.853,1067 8.785,1068 0.797,1069 10.683,1070 2.136,1071 6.33,1072 8.012,1073 4.506,1074 12.404,1075 6.206,1076 10.18,1077 0.17,1078 12.455,1079 2.07,1080 7.841,1081 9.875,1082 5.948,1083 15.066,1084 7.706,1085 11.599,1086 -0.349,1087 14.255,1088 0.452,1089 8.628,1090 11,1091 6.556,1092 17.211,1093 8.463,1094 13.037,1095 -0.411,1096 16.075,1097 -0.882,1098 9.918,1099 12.652,1100 7.794,1101 19.716,1102 9.74,1103 3.252,1104 -0.832,1105 17.91,1106 -1.06,1107 10.901,1108 13.973,1109 8.548,1110 22.023,1111 10.698,1112 2.752,1113 11.428,1114 19.758,1115 -2,1116 12.103,1117 15.539,1118 9.67,1119 24.477,1120 11.884,1121 2.521,1122 8.739,1123 21.616,1124 4.602,1125 13.182,1126 16.958,1127 10.509,1128 26.855,1129 12.94,1130 2.38,1131 7.689,1132 23.482,1133 3.837,1134 14.354,1135 18.49,1136 11.563,1137 29.293,1138 14.094,1139 2.072,1140 7.311,1141 25.356,1142 3.454,1143 15.48,1144 19.96,1145 12.452,1146 31.702,1147 15.198,1148 1.476,1149 6.273,1150 27.236,1151 3.319,1152 16.645,1153 21.481,1154 13.468,1155 34.137,1156 16.344,1157 1.427,1158 3.385,1159 29.121,1160 2.861,1161 17.793,1162 22.977,1163 14.386,1164 36.56,1165 17.472,1166 5557,1167 9285,1168 18.493,1169 28.256,1170 40.688,1171 42.191,1172 41.45,1173 40.649,1174 40.648,1175 55.962,1176 6.025,1177 117.328,1178 39.845,1179 5.614,1180 5.782,1181 6.649,1182 5.273,1183 5.252,1184 7.602,1185 4.612,1186 18.963,1187 5.184,1188 8.718,1189 1.507,1190 1.563,1191 1.535,1192 1.506,1193 1.505,1194 2.073,1195 0.223,1196 4.345,1197 1.476,1198 4.14,1199 4.168,1200 4.109,1201 4.054,1202 7.815,1203 4.062,1204 3.879,1205 3.913,1206 3.816,1207 3.807,1208 6.999,1209 3.802,1210 3.806,1211 3.846,1212 3.742,1213 3.669,1214 4.963,1215 3.667,1216 3.533,1217 3.569,1218 3.46,1219 3.233,1220 4.756,1221 3.273,1222 3.23,1223 3.291,1224 3.133,1225 3.029,1226 4.346,1227 3.057,1228 3.074,1229 3.148,1230 2.937,1231 2.849,1232 4.094,1233 2.861,1234 2.931,1235 3.008,1236 2.771,1237 2.759,1238 3.934,1239 2.759,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.173,1247 0.14,1248 0.254,1249 0.157,1250 0.12,1251 4.669,1252 0.17,1253 3.782,1254 0.097,1255 6.847,1256 0.423,1257 4.231,1258 0.118,1259 3.252,1260 4.602,1261 2.612,1262 11.428,1263 3.184,1264 2.082,1265 2.058,1266 2.158,1267 2.19,1268 1.434,1269 2.177,1270 1.873,1271 1.842,1272 2.001,1273 1.981,1274 1.164,1275 1.98,1276 1.772,1277 1.73,1278 1.947,1279 1.946,1280 1.052,1281 1.94,1282 1.355,1283 1.313,1284 1.491,1285 1.7,1286 0.757,1287 1.622,1288 1.174,1289 1.116,1290 1.441,1291 1.401,1292 0.625,1293 1.414,1294 1.035,1295 0.968,1296 1.237,1297 1.297,1298 0.29,1299 1.314,1300 0.902,1301 0.839,1302 1.181,1303 1.137,1304 0.218,1305 1.146,1306 0.886,1307 0.821,1308 1.141,1309 1.062,1310 0.191,1311 1.107,1312 4.007,1314 5.333,1316 6.874,1318 8.517,1320 10.216,1328 4.184,1329 3.479,1340 27.181,1341 62.707,1342 136.905,1343 166.15,1344 192.15,1345 201.66,1346 201.66,1347 35.94,1348 7.532,1349 70.74,1350 70.74,1351 24,1352 12.561,1353 4.322,1354 3.524,1355 33.473,1356 69,1357 76,1358 0.233,1359 165.48,1360 281.94,1361 395.532,1362 18209,1364 16.518,1365 0.688,1366 0.548,1367 16.518,1368 13.158,1369 11.72,1370 0.434,1371 0.302,1372 8.066,1373 11.349,1374 7.927,1375 6.551,1376 11.72,1377 8.142,1378 10.589,1379 0.279,1380 0.16,1381 10.589,1382 6.069,1383 9.035,1384 0.174,1385 0.087,1386 9.035,1387 4.499,1388 7.681,1389 0.108,1390 0.047,1391 7.681,1392 3.334,1393 6.837,1394 0.068,1395 0.026,1396 6.837,1397 2.561,1398 0.347,1399 73.037,1400 0.233,1401 22.758,1402 0.697,1403 130,1404 371.094,1405 140.284,1406 364.051,1407 499.97,1408 338,1409 155,1410 381.435,1411 165.482,1412 382.329,1413 557.32,1414 361,1415 5.796}
{0 CHEMBL1085018,1 1.529,2 8.458,3 4.981,4 24.811,5 92.849,6 7.79,7 0.63,8 3.83,9 3.941,10 3.446,11 3.435,12 4.97,13 3.411,14 4.351,15 4.496,16 3.806,17 3.848,18 5.557,19 3.801,20 4.643,21 4.855,22 3.883,23 3.969,24 5.666,25 3.903,26 4.649,27 4.866,28 3.808,29 3.908,30 5.711,31 3.84,32 4.562,33 4.766,34 3.779,35 3.909,36 5.643,37 3.837,38 4.568,39 4.762,40 3.755,41 3.96,42 5.551,43 3.861,44 4.658,45 4.888,46 3.649,47 3.889,48 5.672,49 3.766,50 4.568,51 4.834,52 3.276,53 3.575,54 5.583,55 3.434,56 0.117,57 0.595,58 7.553,59 3.616,60 7.218,61 4.635,62 0.136,63 0.971,64 13.873,65 6.456,66 38.01,67 8.415,68 0.153,69 1.285,70 21.366,71 8.269,72 27.013,73 11.331,74 0.31,75 1.277,76 22.35,77 7.971,78 43.297,79 10.587,80 0.306,81 1.163,82 19.79,83 7.553,84 41.584,85 10.091,86 0.104,87 1.153,88 18.977,89 8.672,90 17.98,91 11.591,92 0.238,93 1.221,94 22.711,95 9.15,96 34.599,97 12.62,98 0.295,99 1.034,100 23.447,101 8.153,102 55.603,103 11.031,104 6,105 38,106 0.265,107 0.579,108 0.703,109 0.812,110 0.853,111 0.853,112 3.23,113 0.905,114 -4.88,115 -4.79,116 -4.5,121 46.3,123 4,144 8,145 2,146 3,148 2,168 2,176 10,179 1,180 6,185 4,187 12,192 8,197 4,200 7,205 1,206 5,209 1,211 5,214 10,218 2,219 2,224 1,227 14,232 4,235 1,239 18,244 8,247 2,251 13,256 8,264 6,269 8,277 1,281 804,282 16.499,283 16.499,284 16.499,285 16.499,286 16.499,287 14.184,288 18.317,289 9.825,290 16.66,291 13.371,292 13.371,293 13.371,294 13.371,295 13.371,296 9.861,297 22.551,298 4.699,299 13.643,300 3.828,301 2.018,302 1.305,303 0.671,304 0.439,305 0.439,306 3.932,311 1,312 1,313 444,314 2.739,318 196.947,322 154.291,325 1.247,326 21.83,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 51.5,338 203,339 4.665,340 3.781,341 6.842,342 4.228,343 3.249,344 4.599,345 2.612,346 11.408,347 3.181,348 4.213,349 3.369,350 6.078,351 3.738,352 2.763,353 3.856,354 0.4,355 8.751,356 2.693,357 3.895,358 2.709,359 5.821,360 3.495,361 2.522,362 3.447,364 7.823,365 2.452,366 3.824,367 2.625,368 5.484,369 3.365,370 2.383,371 3.313,373 7.22,374 2.337,375 3.462,376 2.218,377 5.18,378 3.006,379 2.043,380 2.846,382 6.216,383 1.963,384 2.96,385 1.861,386 4.14,387 2.479,388 1.492,389 2.111,391 3.399,392 1.471,393 2.893,394 1.568,395 3.895,396 2.418,397 1.425,398 2.049,400 3.273,401 1.414,402 2.606,403 1.429,404 3.754,405 2.264,406 1.271,407 1.629,409 3.042,410 1.261,411 2.5,412 1.415,413 3.613,414 2.211,415 1.212,416 1.5,418 2.883,419 1.21,420 2.488,421 1,422 3.479,423 2,424 1,425 1.487,427 2.136,428 1,429 2.017,430 1,431 3.247,432 1.793,433 0.811,434 0.953,436 2.099,437 0.795,438 1.451,439 1,440 2.973,441 1.082,442 0.128,443 0.163,445 0.345,446 0.122,447 1.05,448 0.235,449 2.619,450 0.641,451 -0.336,452 -0.441,454 -0.867,455 -0.327,456 1,457 -0.169,458 2.507,459 0.565,460 -0.411,461 -0.523,463 -1.061,464 -0.4,465 0.941,466 -0.295,467 2.308,468 0.191,469 -0.791,470 -1.023,472 -2,473 -0.775,474 11.367,475 0.474,476 0.538,477 0.022,478 34.75,479 1.448,480 19.5,481 0.813,482 15.25,483 0.635,484 16.993,485 0.708,486 24.633,487 0.601,488 23.713,489 0.988,490 6.523,491 0.272,492 5.197,493 0.217,494 0.059,496 0.343,501 0.373,502 1.015,503 0.707,504 0.884,505 0.457,506 0.855,507 0.443,508 1.244,509 0.804,510 1.107,511 0.33,512 1.03,513 0.684,514 1.15,515 0.852,516 0.999,517 0.443,518 0.949,519 1.055,520 0.958,521 1.031,522 0.921,523 0.905,524 0.953,525 0.813,526 0.848,527 0.987,528 0.874,529 0.683,530 0.931,531 0.469,532 1.073,533 0.955,534 1.192,535 0.47,536 1.162,537 0.56,538 1.106,539 1.028,540 1.212,541 0.596,542 1.198,543 1.232,544 0.972,545 1.112,546 1.053,547 1.352,548 1.067,549 4,550 0.037,551 2.444,552 1.438,553 1.622,554 0.792,555 0.486,556 0.332,557 0.217,558 0.101,559 5933,560 16139,561 2.161,562 41.5,563 6,564 8,567 1,568 2,572 1.677,573 2.057,574 3.066,575 -0.342,582 62.707,583 1.529,584 3.339,585 4.052,586 4.687,587 4.919,588 4.919,589 2.492,590 4.002,591 4.554,592 3.198,593 882.744,594 7.901,595 10003.1,597 1,600 219.66,601 1.281,602 4.532,603 0.148,604 0.007,605 0.064,606 0.036,607 0.045,608 0.022,609 0.014,610 0.011,611 0.012,612 0.01,613 0.37,614 0.33,615 1,616 0.681,617 111.286,618 0.248,619 0.097,620 0.061,621 0.091,622 0.029,623 0.047,624 0.186,625 -0.211,626 0.022,627 -0.114,628 0.245,629 -0.082,630 -0.007,631 -0.122,632 0.075,633 -0.035,634 0.066,635 0.024,636 -0.093,637 0.082,638 -0.061,639 0.019,640 -0.068,641 -0.009,642 0.004,643 0.187,644 -0.059,645 0.089,646 0.022,647 0.025,648 0.062,649 -0.111,650 -0.073,651 -0.173,652 0.022,653 -0.151,654 0.14,655 -0.162,656 -0.067,657 -0.215,658 0.052,659 -0.182,660 -0.097,661 -0.089,662 -0.025,663 -0.066,664 -0.129,665 -0.039,666 2.37,667 4.071,668 0.833,669 18.917,670 1.004,671 1.118,672 3.654,673 13.349,674 0.689,675 3.332,676 3.664,677 3.97,678 4.277,679 4.605,680 4.736,681 4.934,682 5.094,683 5.22,684 5.124,685 5.178,686 0.663,687 319.39,688 3.332,689 4.875,690 5.74,691 6.629,692 7.518,693 8.419,694 9.318,695 10.225,696 11.13,697 12.041,698 7.3,706 1,708 1,709 1,714 2,715 8,716 1,720 5,722 17,734 1,735 1,741 41,743 19,744 2,745 27,747 44,748 19,749 15,750 4,751 8,756 4,757 7,767 4,770 4,772 15,773 4,777 2,779 1,782 2,793 17,794 4,795 1,796 5,802 3,808 0.5,809 2,822 1,829 4,833 2,859 2,868 24,876 4,877 1,893 4.9,899 2,901 11.667,902 7.4,903 5.222,904 2.647,907 3.486,908 1.463,909 1.029,910 3.812,911 11.018,912 3.651,913 4.304,914 4.918,915 5.549,916 6.21,917 6.616,918 7.113,919 7.546,920 7.984,921 8.103,922 0.833,923 40,924 8.869,926 3.862,927 0.026,929 7.799,931 17.018,933 14.408,936 2.299,937 55.167,940 1,941 188.338,942 104.878,943 40.466,945 50.747,948 104.878,949 239.085,950 40.466,951 5.67,952 10.138,953 75.81,954 16.786,955 36.94,957 188.338,958 50.747,959 188.338,960 145.344,961 50.747,964 188.338,966 50.747,968 33.05,969 89.839,970 22.456,972 188.338,973 91.213,974 104.878,977 188.338,978 29.068,979 81.48,980 18.011,981 67.532,982 188.338,983 91.213,984 104.878,986 0.58,987 0.34,988 0.189,989 0.113,990 20,991 8,992 0.068,993 3,994 2,995 1.2,996 3.574,997 207.856,998 0.2,999 20,1000 104.039,1005 14.949,1006 6.121,1007 2.834,1008 1.619,1009 85.543,1010 14.927,1011 4.717,1015 4.433,1017 18.011,1018 384.429,1019 37.5,1021 -0.37,1024 22.143,1031 41.145,1032 45.82,1034 0.285,1035 0.623,1036 0.756,1037 0.875,1038 0.918,1039 0.918,1040 4.877,1041 1.271,1042 5.72,1043 3.273,1044 4.344,1045 4.99,1046 2.527,1047 6.55,1048 4.302,1049 6.099,1050 1.212,1051 7.284,1052 3.042,1053 3.892,1054 4.89,1055 2.361,1056 7.479,1057 3.816,1058 7.422,1059 1,1060 8.952,1061 2.883,1062 5.943,1063 7.278,1064 4.155,1065 10.62,1066 5.853,1067 8.785,1068 0.811,1069 10.683,1070 2.136,1071 6.33,1072 8.012,1073 4.506,1074 12.402,1075 6.206,1076 10.18,1077 0.128,1078 12.455,1079 2.099,1080 7.841,1081 9.875,1082 5.948,1083 15.062,1084 7.706,1085 11.599,1086 -0.336,1087 14.255,1088 0.345,1089 8.628,1090 11,1091 6.556,1092 17.206,1093 8.463,1094 13.037,1095 -0.411,1096 16.075,1097 -0.867,1098 9.917,1099 12.652,1100 7.794,1101 19.709,1102 9.739,1103 3.249,1104 -0.791,1105 17.91,1106 -1.061,1107 10.9,1108 13.972,1109 8.548,1110 22.013,1111 10.695,1112 2.763,1113 11.408,1114 19.757,1115 -2,1116 12.101,1117 15.537,1118 9.67,1119 24.464,1120 11.881,1121 2.522,1122 8.751,1123 21.615,1124 4.599,1125 13.179,1126 16.956,1127 10.509,1128 26.839,1129 12.935,1130 2.383,1131 7.823,1132 23.48,1133 3.856,1134 14.35,1135 18.487,1136 11.563,1137 29.276,1138 14.088,1139 2.043,1140 7.22,1141 25.353,1142 3.447,1143 15.474,1144 19.956,1145 12.452,1146 31.682,1147 15.19,1148 1.492,1149 6.216,1150 27.233,1151 3.313,1152 16.638,1153 21.476,1154 13.468,1155 34.115,1156 16.334,1157 1.425,1158 3.399,1159 29.117,1160 2.846,1161 17.785,1162 22.97,1163 14.386,1164 36.536,1165 17.46,1166 5647,1167 9477,1168 18.493,1169 28.256,1170 40.611,1171 42.117,1172 41.455,1173 40.602,1174 40.602,1175 55.903,1176 6.025,1177 117.189,1178 39.8,1179 5.611,1180 5.781,1181 6.644,1182 5.27,1183 5.249,1184 7.599,1185 4.612,1186 18.95,1187 5.181,1188 8.812,1189 1.504,1190 1.56,1191 1.535,1192 1.504,1193 1.504,1194 2.07,1195 0.223,1196 4.34,1197 1.474,1198 4.139,1199 4.168,1200 4.108,1201 4.054,1202 7.815,1203 4.062,1204 3.881,1205 3.914,1206 3.819,1207 3.807,1208 6.999,1209 3.802,1210 3.806,1211 3.846,1212 3.741,1213 3.669,1214 4.962,1215 3.668,1216 3.538,1217 3.574,1218 3.463,1219 3.251,1220 4.755,1221 3.29,1222 3.175,1223 3.242,1224 3.079,1225 2.975,1226 4.351,1227 2.98,1228 3.12,1229 3.181,1230 3.002,1231 2.858,1232 4.095,1233 2.913,1234 2.955,1235 3.041,1236 2.77,1237 2.787,1238 3.949,1239 2.776,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.173,1247 0.14,1248 0.253,1249 0.157,1250 0.12,1251 4.665,1252 0.17,1253 3.781,1254 0.097,1255 6.842,1256 0.423,1257 4.228,1258 0.118,1259 3.249,1260 4.599,1261 2.612,1262 11.408,1263 3.181,1264 2.082,1265 2.058,1266 2.158,1267 2.19,1268 1.434,1269 2.176,1270 1.873,1271 1.842,1272 2.001,1273 1.983,1274 1.164,1275 1.981,1276 1.772,1277 1.73,1278 1.947,1279 1.944,1280 1.052,1281 1.94,1282 1.369,1283 1.33,1284 1.495,1285 1.702,1286 0.757,1287 1.629,1288 1.139,1289 1.065,1290 1.44,1291 1.37,1292 0.626,1293 1.394,1294 1.014,1295 0.971,1296 1.211,1297 1.307,1298 0.29,1299 1.296,1300 0.949,1301 0.877,1302 1.181,1303 1.177,1304 0.218,1305 1.193,1306 0.886,1307 0.821,1308 1.155,1309 1.062,1310 0.193,1311 1.107,1312 4.007,1314 5.333,1316 6.874,1318 8.517,1320 10.216,1328 4.184,1329 3.514,1340 27.181,1341 62.707,1342 136.905,1343 166.15,1344 192.15,1345 201.66,1346 201.66,1347 35.616,1348 7.532,1349 70.74,1350 70.74,1351 24,1352 12.557,1353 4.322,1354 3.524,1355 33.543,1356 72,1357 76,1358 0.228,1359 165.48,1360 281.94,1361 395.532,1362 18209,1364 16.518,1365 0.688,1366 0.548,1367 16.518,1368 13.158,1369 11.72,1370 0.434,1371 0.302,1372 8.066,1373 11.349,1374 7.927,1375 6.551,1376 11.72,1377 8.142,1378 10.589,1379 0.279,1380 0.16,1381 10.589,1382 6.069,1383 9.028,1384 0.174,1385 0.087,1386 9.028,1387 4.5,1388 7.72,1389 0.109,1390 0.047,1391 7.72,1392 3.336,1393 6.801,1394 0.069,1395 0.026,1396 6.801,1397 2.544,1398 0.343,1399 73.037,1400 0.233,1401 22.848,1402 0.676,1403 130,1404 371.094,1405 140.284,1406 364.051,1407 499.97,1408 338,1409 155,1410 381.435,1411 165.482,1412 382.329,1413 557.33,1414 361,1415 5.319}
{0 CHEMBL1085019,1 1.326,2 10.773,3 4.049,4 16.393,5 94.237,6 6.445,7 0.5,8 3.896,9 4.044,10 3.352,11 3.426,12 4.851,13 3.372,14 4.459,15 4.676,16 3.637,17 3.808,18 5.305,19 3.718,20 4.731,21 4.997,22 3.655,23 3.929,24 5.517,25 3.794,26 4.744,27 5.04,28 3.476,29 3.833,30 5.493,31 3.674,32 4.628,33 4.929,34 3.379,35 3.712,36 5.387,37 3.557,38 4.483,39 4.772,40 3.285,41 3.601,42 5.242,43 3.449,44 4.385,45 4.675,46 3.21,47 3.517,48 5.137,49 3.379,50 4.283,51 4.536,52 3.091,53 3.498,54 5.071,55 3.34,56 0.079,57 0.696,58 10.983,59 4.235,60 8.914,61 6.262,62 0.167,63 1.105,64 19.696,65 6.804,66 14.892,67 10.473,68 0.249,69 1.324,70 26.026,71 8.798,72 23.497,73 13.646,74 0.241,75 1.265,76 26.546,77 8.22,78 25.518,79 13.259,80 0.248,81 1.12,82 23.69,83 7.281,84 24.449,85 11.715,86 0.193,87 0.982,88 20.322,89 6.581,90 19.968,91 10.403,92 0.177,93 0.895,94 18.487,95 5.668,96 16.994,97 9.153,98 0.134,99 0.838,100 16.478,101 5.641,102 15.235,103 8.745,104 2,105 31,106 0.23,107 0.524,108 0.693,109 0.803,110 0.813,111 0.813,112 3.145,113 1.023,114 -4.85,115 -4.76,116 -4.47,121 39.1,122 1,123 3,127 4,144 6,145 2,148 1,149 1,168 1,176 10,180 5,183 1,185 1,187 9,192 7,195 2,197 2,200 6,206 5,214 5,218 1,219 4,224 3,227 5,231 1,232 3,237 3,239 3,244 2,249 2,251 3,256 4,261 1,264 5,269 3,277 2,281 660,282 15.259,283 15.259,284 15.259,285 15.259,286 15.259,287 13.794,288 14.553,289 9.437,290 15.511,291 11.882,292 11.882,293 11.882,294 11.882,295 11.882,296 9.767,297 19.513,298 4.518,299 12.28,300 4.198,301 2.506,302 1.533,303 0.902,304 0.842,305 0.842,306 3.834,310 1,311 1,312 1,313 512,314 2.345,318 234.132,325 1.884,326 9.07,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 46,338 237,339 4.335,340 3.056,341 6.234,342 3.939,343 2.962,344 4.012,345 0.8,346 9.347,347 2.894,348 3.964,349 2.834,350 5.918,351 3.589,352 2.618,353 3.491,354 0.4,355 8.236,356 2.543,357 3.519,358 2.69,359 5.339,360 3.44,361 2.509,362 2.617,364 6.963,365 2.333,366 3.275,367 1.908,368 4.503,369 2.808,370 1.829,371 2.515,373 4.625,374 1.788,375 2.863,376 1.756,377 4.174,378 2.582,379 1.605,380 1.99,382 3.802,383 1.565,384 2.662,385 1.56,386 3.674,387 2.426,388 1.455,389 1.728,391 3.205,392 1.408,393 2.545,394 1.263,395 3.513,396 2.178,397 1.199,398 1.548,400 2.726,401 1.171,402 2.5,403 1.087,404 3.334,405 2,406 1,407 1.5,409 2.278,410 1,411 2.138,412 1.077,413 3.247,414 1.984,415 1,416 1.113,418 2.136,419 0.983,420 2,421 1,422 3.247,423 1.961,424 1,425 1,427 2.136,428 0.958,429 1.398,430 0.41,431 2.763,432 1.186,433 0.219,434 0.246,436 0.516,437 0.211,438 0.826,439 -0.063,440 2.483,441 0.624,442 -0.328,443 -0.361,445 -0.753,446 -0.312,447 0.817,448 -0.435,449 2.248,450 0.445,451 -0.548,452 -0.704,454 -1.338,455 -0.543,456 0.549,457 -0.741,458 1.877,459 0.169,460 -0.8,461 -0.895,463 -1.8,464 -0.774,465 0.5,466 -0.784,467 1.566,469 -1,470 -1,472 -2.347,473 -0.946,474 10.6,475 0.482,476 0.346,477 0.016,478 26.25,479 1.193,480 12.5,481 0.568,482 13.75,483 0.625,484 17.88,485 0.813,486 24.2,487 0.526,488 15.872,489 0.721,490 4.988,491 0.227,492 5.839,493 0.265,494 0.047,496 0.226,501 0.834,502 1.351,503 0.934,504 1.172,505 0.747,506 1.081,507 1.165,508 1.184,509 1.027,510 1.066,511 0.762,512 1.039,513 1.026,514 1.074,515 1.002,516 1.031,517 0.785,518 1.017,519 1.339,520 1.024,521 1.038,522 0.944,523 1.175,524 0.96,525 1.311,526 0.898,527 0.984,528 0.847,529 1.288,530 0.878,531 1.098,532 1.019,533 0.968,534 0.956,535 1.101,536 0.95,537 1.438,538 0.908,539 0.998,540 0.826,541 1.273,542 0.863,543 1.313,544 1.166,545 1.275,546 1.21,547 1.618,548 1.234,549 3,550 0.045,551 2,552 0.813,553 0.636,554 0.542,555 0.384,556 0.137,557 0.086,558 0.104,559 5734,560 10784,561 2.125,562 52.2,563 5,564 14,567 1,569 4,572 1.638,573 2.063,574 3.401,575 -0.354,577 1,582 60.986,583 1.326,584 3.018,585 3.99,586 4.621,587 4.681,588 4.681,589 2.88,590 3.914,591 4.429,592 3.559,593 822.174,594 7.573,595 9412.96,597 1,599 1,600 254.084,601 1.023,602 4.423,603 0.125,604 0.005,605 0.065,606 0.027,607 0.026,608 0.025,609 0.019,610 0.007,611 0.005,612 0.009,613 0.313,614 0.5,615 1,616 0.405,617 103.54,618 0.183,619 -0.091,620 0.071,621 -0.042,622 0.195,623 -0.004,624 -0.004,625 -0.045,626 -0.02,627 -0.037,628 0.131,629 -0.031,630 0.08,631 -0.047,632 -0.009,633 -0.053,634 0.184,635 -0.042,636 -0.127,637 -0.048,638 -0.039,639 -0.018,640 -0.004,641 -0.02,642 -0.054,643 0.074,644 0.02,645 0.068,646 -0.029,647 0.054,648 0.037,649 -0.043,650 0.025,651 -0.012,652 -0.006,653 0.003,654 -0.166,655 0.09,656 0.009,657 0.1,658 -0.144,659 0.076,660 -0.236,661 -0.118,662 -0.288,663 -0.218,664 -0.407,665 -0.251,666 0.767,667 1.358,668 0.818,669 20.727,670 0.984,671 1.134,672 3.624,673 13.135,674 0.644,675 3.219,676 3.466,677 3.689,678 3.871,679 4.06,680 3.97,681 4.06,682 4.06,683 4.094,684 4.127,685 6.322,686 0.595,687 296.46,688 3.219,689 4.71,690 5.525,691 6.358,692 7.188,693 8.026,694 8.862,695 9.703,696 10.543,697 11.387,698 8.7,701 1,703 1,708 2,715 6,716 2,720 4,722 12,734 1,741 46,743 12,744 1,745 24,747 48,748 18,749 10,750 1,751 5,756 3,757 3,763 1,767 3,770 3,772 10,773 8,790 1,793 24,794 4,795 1,796 4,802 4,808 1,821 1,829 3,855 1,859 3,864 1,868 22,876 7,877 1,881 1,901 10.667,902 8.35,903 4.972,904 3.03,907 2.154,908 1.323,909 0.977,910 5.15,911 8.83,912 3.434,913 3.932,914 4.443,915 4.942,916 5.466,917 5.57,918 5.941,919 6.197,920 6.448,921 6.621,922 1,923 30,924 8.139,926 3.312,927 0.026,929 7.394,931 16.258,933 13.238,936 1.894,937 41.667,938 0.001,940 1,941 270.735,942 93.165,943 54.461,948 93.165,949 270.735,950 54.461,951 8.825,952 16.026,953 56.857,954 51.337,955 12.252,956 2.328,957 270.735,959 270.735,960 147.626,964 223.651,965 47.084,968 30.733,969 65.557,970 51.337,972 270.735,973 54.461,974 93.165,977 270.735,978 27.482,979 68.807,980 18.011,981 33.326,982 270.735,983 54.461,984 93.165,986 0.561,987 0.322,988 0.171,989 0.091,990 14,991 5,992 0.104,993 5,995 1,996 3.637,997 160.556,999 18,1000 90.107,1005 15.142,1006 7.483,1007 4.133,1009 54.461,1010 12.292,1011 8.707,1015 4.085,1017 18.011,1018 418.361,1019 30,1031 45.243,1032 52.145,1034 0.24,1035 0.546,1036 0.722,1037 0.837,1038 0.847,1039 0.847,1040 4.625,1041 1,1042 5.451,1043 2.726,1044 4.143,1045 4.615,1046 0.824,1047 6.163,1048 4.079,1049 5.76,1050 1,1051 6.942,1052 2.278,1053 3.434,1054 4.111,1055 0.325,1056 6.862,1057 3.319,1058 7.014,1059 1,1060 8.537,1061 2.136,1062 5.631,1063 6.675,1064 0.413,1065 9.939,1066 5.5,1067 8.304,1068 0.219,1069 10.197,1070 2.136,1071 5.802,1072 7.059,1073 0.268,1074 11.518,1075 5.624,1076 9.632,1077 -0.328,1078 11.901,1079 0.516,1080 7.396,1081 9.053,1082 0.246,1083 14.054,1084 7.203,1085 10.986,1086 -0.548,1087 13.633,1088 -0.753,1089 8.001,1090 9.876,1091 0.188,1092 15.982,1093 7.771,1094 12.361,1095 -0.8,1096 15.386,1097 -1.338,1098 9.311,1099 11.594,1100 0.157,1101 18.323,1102 9.066,1103 2.962,1104 -1,1105 17.152,1106 -1.8,1107 10.139,1108 12.654,1109 0.125,1110 20.404,1111 9.865,1112 2.618,1113 9.347,1114 18.929,1115 -2.347,1116 11.314,1117 14.223,1118 0.102,1119 22.669,1120 11.023,1121 2.509,1122 8.236,1123 20.714,1124 4.012,1125 12.257,1126 15.417,1127 0.082,1128 24.82,1129 11.942,1130 1.829,1131 6.963,1132 22.504,1133 3.491,1134 13.37,1135 16.904,1136 0.067,1137 27.056,1138 13.037,1139 1.605,1140 4.625,1141 24.299,1142 2.617,1143 14.373,1144 18.176,1145 0.054,1146 29.242,1147 14.019,1148 1.455,1149 3.802,1150 26.097,1151 2.515,1152 15.459,1153 19.617,1154 0.043,1155 31.468,1156 15.086,1157 1.199,1158 3.205,1159 27.898,1160 1.99,1161 16.493,1162 20.935,1163 0.035,1164 33.673,1165 16.101,1166 5467,1167 7643,1168 16.583,1169 29.637,1170 34.9,1171 34.824,1172 35.057,1173 34.825,1174 34.791,1175 43.52,1176 2.4,1177 91.937,1178 33.711,1179 5.335,1180 5.056,1181 6.036,1182 4.982,1183 4.962,1184 7.012,1185 1.2,1186 15.748,1187 4.894,1188 5.589,1189 1.454,1190 1.451,1191 1.461,1192 1.451,1193 1.45,1194 1.813,1195 0.1,1196 3.831,1197 1.405,1198 3.992,1199 4.034,1200 3.943,1201 3.907,1202 5.044,1203 3.909,1204 3.855,1205 3.921,1206 3.73,1207 3.703,1208 4.701,1209 3.7,1210 3.751,1211 3.8,1212 3.671,1213 3.636,1214 4.353,1215 3.639,1216 3.447,1217 3.529,1218 3.279,1219 3.269,1220 4.113,1221 3.26,1222 3.111,1223 3.206,1224 2.959,1225 2.947,1226 4.01,1227 2.94,1228 3.108,1229 3.199,1230 2.866,1231 2.941,1232 3.738,1233 2.91,1234 3.013,1235 3.116,1236 2.835,1237 2.745,1238 3.674,1239 2.751,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.526,1245 2.715,1246 0.181,1247 0.127,1248 0.26,1249 0.164,1250 0.123,1251 4.335,1252 0.167,1253 3.056,1254 0.033,1255 6.234,1256 0.389,1257 3.939,1258 0.121,1259 2.962,1260 4.012,1261 0.8,1262 9.347,1263 2.894,1264 1.949,1265 1.92,1266 2.064,1267 2.062,1268 1.413,1269 2.061,1270 1.834,1271 1.769,1272 2.046,1273 2.016,1274 1.141,1275 2.031,1276 1.731,1277 1.687,1278 1.881,1279 1.874,1280 1.058,1281 1.882,1282 1.447,1283 1.368,1284 1.726,1285 1.66,1286 0.922,1287 1.687,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.825,1293 1.429,1294 1.104,1295 1.029,1296 1.403,1297 1.354,1298 0.557,1299 1.379,1300 0.975,1301 0.87,1302 1.305,1303 1.266,1304 0.446,1305 1.284,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 3.892,1314 5.153,1316 6.621,1318 8.177,1320 9.773,1322 2.088,1328 8.547,1329 3.424,1333 2.525,1340 27.354,1341 60.986,1342 138.823,1343 183.555,1344 212.574,1345 215.329,1346 215.329,1347 26.524,1348 6.676,1349 41.05,1350 41.05,1351 18,1352 11.95,1353 3.7,1354 2.807,1355 34.755,1356 83,1357 76,1358 0.202,1359 170.865,1360 289.24,1361 408.671,1362 6826,1364 15.2,1365 0.691,1366 0.603,1367 15.2,1368 13.255,1369 10.826,1370 0.451,1371 0.341,1372 8.107,1373 10.522,1374 7.897,1375 6.596,1376 10.826,1377 8.187,1378 9.144,1379 0.295,1380 0.192,1381 9.144,1382 5.956,1383 7.616,1384 0.195,1385 0.108,1386 7.616,1387 4.223,1388 6.108,1389 0.13,1390 0.062,1391 6.108,1392 2.925,1393 4.861,1394 0.085,1395 0.035,1396 4.861,1397 2.013,1398 0.325,1399 66.934,1400 0.246,1401 22.303,1402 0.533,1403 110,1404 251.268,1405 117.299,1406 251.422,1407 353.88,1408 238,1409 125,1410 269.265,1411 133.465,1412 274.752,1413 395.68,1414 259,1415 5.268}
{0 CHEMBL1085020,1 1.456,2 11.391,3 4.713,4 22.214,5 99.042,6 7.193,7 0.48,8 3.903,9 4.043,10 3.448,11 3.454,12 4.878,13 3.4,14 4.466,15 4.675,16 3.778,17 3.846,18 5.356,19 3.758,20 4.742,21 4.995,22 3.804,23 3.974,24 5.585,25 3.84,26 4.753,27 5.038,28 3.575,29 3.865,30 5.537,31 3.706,32 4.632,33 4.929,34 3.472,35 3.732,36 5.403,37 3.581,38 4.491,39 4.771,40 3.494,41 3.638,42 5.312,43 3.494,44 4.397,45 4.673,46 3.442,47 3.567,48 5.229,49 3.435,50 4.292,51 4.535,52 3.323,53 3.548,54 5.129,55 3.397,56 0.062,57 0.686,58 10.267,59 4.206,60 7.313,61 6.028,62 0.158,63 1.091,64 19.917,65 7.001,66 14.793,67 10.316,68 0.268,69 1.306,70 29.114,71 9.379,72 26.462,73 13.804,74 0.274,75 1.258,76 29.732,77 8.868,78 28.282,79 13.5,80 0.261,81 1.121,82 25.063,83 7.719,84 24.89,85 11.871,86 0.235,87 0.972,88 22.441,89 6.96,90 23.937,91 10.554,92 0.238,93 0.88,94 21.514,95 6.09,96 21.975,97 9.291,98 0.137,99 0.827,100 17.594,101 5.935,102 15.982,103 8.765,104 5,105 33,106 0.253,107 0.554,108 0.719,109 0.813,110 0.813,111 0.813,112 3.187,113 1.04,114 -5.35,115 -5.24,116 -4.9,121 39.1,122 1,123 3,127 4,144 5,145 2,146 1,148 1,149 1,168 1,176 8,180 5,183 1,185 1,187 9,192 7,195 2,197 2,200 7,206 5,214 6,218 1,219 3,224 3,227 4,231 1,232 3,237 3,239 3,244 3,249 2,251 3,256 4,264 6,269 3,274 1,277 2,281 739,282 15.706,283 15.706,284 15.706,285 15.706,286 15.706,287 14.217,288 16.154,289 9.523,290 16.094,291 12.348,292 12.348,293 12.348,294 12.348,295 12.348,296 10.172,297 20.154,298 4.554,299 13.023,300 4.067,301 2.336,302 1.389,303 0.842,304 0.842,305 0.842,306 3.873,308 1,311 1,312 1,313 563,314 2.449,318 248.033,325 2.026,326 12.122,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 48.333,338 262,339 4.343,340 3.07,341 6.236,342 3.944,343 2.968,344 4.025,345 0.8,346 9.357,347 2.897,348 4.016,349 2.927,350 5.921,351 3.614,352 2.651,353 3.588,354 0.4,355 8.251,356 2.553,357 3.623,358 2.828,359 5.339,360 3.442,361 2.513,362 2.999,364 6.963,365 2.333,366 3.516,367 2.606,368 5.04,369 3.155,370 2.26,371 2.519,373 6.079,374 1.962,375 2.906,376 1.859,377 4.392,378 2.607,379 1.639,380 2.062,382 4.26,383 1.58,384 2.852,385 1.56,386 4.137,387 2.433,388 1.465,389 1.987,391 3.655,392 1.412,393 2.555,394 1.535,395 3.674,396 2.367,397 1.414,398 1.557,400 3.204,401 1.313,402 2.5,403 1.18,404 3.414,405 2,406 1.034,407 1.5,409 2.315,410 1,411 2.145,412 1.077,413 3.346,414 1.986,415 1,416 1.124,418 2.275,419 0.983,420 2,421 1,422 3.247,423 1.984,424 1,425 1,427 2.136,428 0.979,429 1.433,430 0.494,431 2.802,432 1.207,433 0.247,434 0.279,436 0.579,437 0.233,438 1.093,439 0.296,440 2.552,441 0.698,442 -0.181,443 -0.217,445 -0.406,446 -0.131,447 0.826,448 -0.065,449 2.264,450 0.591,451 -0.355,452 -0.4,454 -0.81,455 -0.329,456 0.64,457 -0.501,458 2,459 0.246,460 -0.694,461 -0.826,463 -1.714,464 -0.631,465 0.5,466 -0.784,467 1.949,468 0.038,469 -0.922,470 -1,472 -2.146,473 -0.849,474 11.314,475 0.492,476 0.452,477 0.02,478 27,479 1.174,480 12.5,481 0.543,482 14.5,483 0.63,484 19.791,485 0.86,486 25.286,487 0.55,488 16.626,489 0.723,490 5.06,491 0.22,492 6.16,493 0.268,494 0.107,496 0.256,501 0.706,502 1.347,503 0.7,504 1.061,505 0.623,506 1.015,507 0.951,508 1.176,509 0.771,510 0.957,511 0.589,512 0.969,513 0.985,514 1.072,515 0.934,516 1.003,517 0.772,518 1.006,519 1.145,520 1.029,521 0.917,522 0.936,523 1.027,524 0.967,525 0.969,526 0.898,527 0.686,528 0.776,529 0.933,530 0.84,531 0.793,532 1.025,533 0.713,534 0.894,535 0.748,536 0.902,537 1.15,538 0.914,539 0.886,540 0.821,541 1.026,542 0.846,543 1.079,544 1.155,545 0.952,546 1.085,547 1.204,548 1.152,549 4,550 0.062,551 2.444,552 0.875,553 0.827,554 0.653,555 0.464,556 0.184,557 0.131,558 0.124,559 6435,560 14691,561 2.093,562 50,563 5,564 13,567 1,569 4,572 1.65,573 2,574 3.469,575 -0.326,582 66.983,583 1.456,584 3.187,585 4.135,586 4.681,587 4.681,588 4.681,589 2.947,590 4.176,591 4.492,592 3.631,593 918.586,594 7.699,595 10901.8,597 1,600 254.084,601 1.214,602 4.473,603 0.16,604 0.006,605 0.074,606 0.027,607 0.033,608 0.028,609 0.021,610 0.009,611 0.007,612 0.01,613 0.375,614 0.33,615 1,616 0.503,617 110.199,618 0.099,619 -0.089,620 0.036,621 -0.036,622 0.104,623 -0.004,624 -0.015,625 -0.035,626 0.027,627 0.011,628 0.156,629 0.003,630 0.01,631 -0.043,632 -0.025,633 -0.045,634 0.134,635 -0.041,636 -0.133,637 -0.046,638 -0.055,639 -0.023,640 -0.048,641 -0.029,642 -0.033,643 0.084,644 0.063,645 0.11,646 -0.02,647 0.087,648 0.149,649 -0.043,650 0.12,651 0.03,652 0.151,653 0.048,654 -0.024,655 0.087,656 0.063,657 0.106,658 0.003,659 0.095,660 -0.155,661 -0.104,662 -0.108,663 -0.127,664 -0.216,665 -0.186,666 0.936,667 1.816,668 0.783,669 22.507,670 0.991,671 1.132,672 4.125,673 17.013,674 0.663,675 3.258,676 3.526,677 3.738,678 3.912,679 4.127,680 4.078,681 4.127,682 4.159,683 4.22,684 4.277,685 6.594,686 0.613,687 330.9,688 3.258,689 4.762,690 5.58,691 6.418,692 7.251,693 8.093,694 8.932,695 9.778,696 10.62,697 11.468,698 8.7,701 1,703 1,708 2,715 5,716 2,720 5,722 12,734 1,740 1,741 46,743 12,744 1,745 25,747 48,748 18,749 10,750 2,751 4,756 3,757 3,758 1,763 1,767 3,770 3,772 10,773 8,793 23,794 4,795 1,796 5,797 1,802 4,808 1,821 1,829 3,855 1,859 3,864 1,865 1,868 23,876 7,877 1,881 1,892 1,901 11.5,902 8.41,903 5.139,904 3.01,907 2.179,908 1.321,909 0.976,910 5.604,911 8.967,912 3.466,913 3.989,914 4.494,915 4.989,916 5.535,917 5.696,918 6.018,919 6.314,920 6.614,921 6.838,922 0.875,923 32,924 8.493,926 3.475,927 0.026,929 7.476,931 16.819,933 13.716,936 1.976,937 45.444,938 0.001,940 1,941 258.964,942 87.189,943 54.461,944 39.149,948 87.189,949 298.113,950 54.461,951 8.825,952 16.026,953 47.381,954 51.337,955 15.753,956 2.328,957 258.964,958 39.149,959 258.964,960 141.65,962 39.149,964 211.88,965 47.084,968 30.733,969 59.581,970 90.485,972 258.964,973 54.461,974 126.338,977 258.964,978 30.983,979 59.331,980 18.011,981 72.475,982 258.964,983 54.461,984 126.338,986 0.57,987 0.323,988 0.164,989 0.091,990 15,991 6,992 0.104,993 5,995 1,996 3.7,997 171.165,999 18,1000 96.042,1005 16.38,1006 7.869,1007 4.506,1009 54.461,1010 9.751,1011 8.683,1015 4.628,1017 18.011,1018 439.763,1019 31,1031 45.567,1032 52.089,1034 0.264,1035 0.577,1036 0.749,1037 0.847,1038 0.847,1039 0.847,1040 4.673,1041 1.034,1042 5.525,1043 3.204,1044 4.205,1045 4.673,1046 0.824,1047 6.248,1048 4.106,1049 5.827,1050 1,1051 7.029,1052 2.315,1053 3.611,1054 4.311,1055 0.325,1056 6.969,1057 3.402,1058 7.096,1059 1,1060 8.631,1061 2.275,1062 5.714,1063 6.762,1064 0.413,1065 10.014,1066 5.531,1067 8.398,1068 0.247,1069 10.292,1070 2.136,1071 5.943,1072 7.232,1073 0.268,1074 11.575,1075 5.677,1076 9.735,1077 -0.181,1078 11.991,1079 0.579,1080 7.483,1081 9.154,1082 0.246,1083 14.104,1084 7.232,1085 11.094,1086 -0.355,1087 13.717,1088 -0.406,1089 8.112,1090 10.024,1091 0.188,1092 16.016,1093 7.808,1094 12.472,1095 -0.694,1096 15.462,1097 -0.81,1098 9.395,1099 11.699,1100 0.157,1101 18.355,1102 9.091,1103 2.968,1104 -0.922,1105 17.22,1106 -1.714,1107 10.23,1108 12.784,1109 0.125,1110 20.426,1111 9.892,1112 2.651,1113 9.357,1114 18.989,1115 -2.146,1116 11.391,1117 14.328,1118 0.102,1119 22.691,1120 11.045,1121 2.513,1122 8.251,1123 20.766,1124 4.025,1125 12.336,1126 15.536,1127 0.082,1128 24.838,1129 11.965,1130 2.26,1131 6.963,1132 22.55,1133 3.588,1134 13.441,1135 17.008,1136 0.067,1137 27.075,1138 13.058,1139 1.639,1140 6.079,1141 24.339,1142 2.999,1143 14.444,1144 18.287,1145 0.054,1146 29.26,1147 14.041,1148 1.465,1149 4.26,1150 26.132,1151 2.519,1152 15.526,1153 19.719,1154 0.043,1155 31.486,1156 15.107,1157 1.414,1158 3.655,1159 27.93,1160 2.062,1161 16.561,1162 21.041,1163 0.035,1164 33.691,1165 16.123,1166 6173,1167 9536,1168 16.989,1169 30.495,1170 36.5,1171 36.797,1172 37.017,1173 36.62,1174 36.384,1175 45.281,1176 2.4,1177 98.148,1178 34.488,1179 5.343,1180 5.07,1181 6.038,1182 4.989,1183 4.968,1184 7.025,1185 1.2,1186 15.762,1187 4.897,1188 8.604,1189 1.46,1190 1.472,1191 1.481,1192 1.465,1193 1.455,1194 1.811,1195 0.096,1196 3.926,1197 1.38,1198 3.995,1199 4.033,1200 4.025,1201 3.916,1202 5.057,1203 3.916,1204 3.856,1205 3.921,1206 3.817,1207 3.705,1208 4.897,1209 3.703,1210 3.756,1211 3.799,1212 3.707,1213 3.644,1214 4.362,1215 3.645,1216 3.448,1217 3.529,1218 3.36,1219 3.271,1220 4.291,1221 3.262,1222 3.114,1223 3.206,1224 3.22,1225 2.976,1226 4.088,1227 2.964,1228 3.111,1229 3.198,1230 2.866,1231 2.941,1232 3.998,1233 2.91,1234 3.014,1235 3.116,1236 2.852,1237 2.746,1238 3.674,1239 2.752,1240 2.854,1241 2.925,1242 2.811,1243 2.735,1244 3.645,1245 2.715,1246 0.174,1247 0.123,1248 0.249,1249 0.158,1250 0.119,1251 4.343,1252 0.161,1253 3.07,1254 0.032,1255 6.236,1256 0.374,1257 3.944,1258 0.116,1259 2.968,1260 4.025,1261 0.8,1262 9.357,1263 2.897,1264 1.946,1265 1.921,1266 2.062,1267 2.058,1268 1.413,1269 2.057,1270 1.834,1271 1.769,1272 2.023,1273 2.014,1274 1.141,1275 2.026,1276 1.727,1277 1.687,1278 1.864,1279 1.862,1280 1.057,1281 1.87,1282 1.446,1283 1.368,1284 1.724,1285 1.658,1286 0.92,1287 1.685,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.825,1293 1.429,1294 1.098,1295 1.031,1296 1.387,1297 1.349,1298 0.557,1299 1.373,1300 0.974,1301 0.87,1302 1.301,1303 1.261,1304 0.431,1305 1.28,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 3.932,1314 5.209,1316 6.686,1318 8.247,1320 9.848,1322 2.067,1323 5.927,1328 8.462,1329 3.412,1333 2.515,1340 28.181,1341 66.983,1342 146.623,1343 190.21,1344 215.329,1345 215.329,1346 215.329,1347 30.384,1348 6.788,1349 41.05,1350 41.05,1351 18,1352 12.029,1353 3.7,1354 2.807,1355 37.148,1356 91,1357 83,1358 0.199,1359 179.198,1360 304.45,1361 429.003,1362 7841,1363 2.2,1364 16.071,1365 0.699,1366 0.622,1367 16.571,1368 14.312,1369 11.22,1370 0.449,1371 0.347,1372 8.237,1373 10.607,1374 7.991,1375 6.645,1376 11.509,1377 8.665,1378 9.765,1379 0.296,1380 0.198,1381 10.174,1382 6.534,1383 8.027,1384 0.196,1385 0.111,1386 8.315,1387 4.546,1388 6.259,1389 0.128,1390 0.063,1391 6.426,1392 3.063,1393 5.085,1394 0.083,1395 0.036,1396 5.299,1397 2.17,1398 0.32,1399 72.472,1400 0.243,1401 23.201,1402 0.521,1403 116,1404 285.472,1405 138.819,1406 313.514,1407 425.23,1408 294,1409 132,1410 296.128,1411 150.224,1412 311.263,1413 448.94,1414 293,1415 5.886}
{0 CHEMBL1085021,1 1.518,2 11.64,3 3.817,4 14.569,5 100.004,6 6.948,7 0.429,8 3.999,9 4.125,10 3.523,11 3.484,12 4.987,13 3.466,14 4.581,15 4.771,16 3.855,17 3.88,18 5.514,19 3.836,20 4.792,21 5.032,22 3.833,23 3.999,24 5.642,25 3.901,26 4.827,27 5.098,28 3.661,29 3.928,30 5.627,31 3.8,32 4.729,33 5.018,34 3.551,35 3.798,36 5.52,37 3.664,38 4.568,39 4.835,40 3.543,41 3.678,42 5.418,43 3.572,44 4.493,45 4.756,46 3.488,47 3.617,48 5.342,49 3.53,50 4.414,51 4.642,52 3.355,53 3.607,54 5.28,55 3.493,56 0.043,57 0.738,58 11.276,59 4.507,60 6.75,61 6.222,62 0.326,63 1.175,64 21.952,65 7.257,66 21.973,67 10.498,68 0.265,69 1.393,70 27.479,71 9.208,72 25.695,73 13.816,74 0.307,75 1.358,76 29.241,77 8.889,78 29.556,79 13.926,80 0.344,81 1.208,82 26.811,83 8.072,84 29.612,85 12.793,86 0.309,87 1.051,88 22.531,89 6.958,90 26.389,91 10.844,92 0.276,93 0.986,94 20.927,95 5.987,96 22.862,97 9.495,98 0.245,99 0.928,100 18.853,101 6.116,102 21.25,103 9.139,104 2,105 38,106 0.259,107 0.556,108 0.742,109 0.837,110 0.844,111 0.844,112 3.266,113 0.964,114 -4.47,115 -4.4,116 -4.14,121 38.8,122 1,123 3,127 4,128 1,144 4,145 2,146 2,148 1,149 1,168 1,176 7,179 1,180 7,183 1,185 1,187 5,192 11,195 2,197 2,200 4,206 6,214 4,218 2,219 3,224 3,227 3,231 3,232 4,237 3,239 1,243 1,244 4,249 1,251 2,256 5,259 1,264 5,269 3,272 1,277 2,281 881,282 17.361,283 17.361,284 17.361,285 17.361,286 17.361,287 15.924,288 21.154,289 10.433,290 17.757,291 13.853,292 13.853,293 13.853,294 13.853,295 13.853,296 11.619,297 27.353,298 4.978,299 14.485,300 4.097,301 2.356,302 1.271,303 0.709,304 0.668,305 0.668,306 3.97,310 1,311 1,312 1,313 649,314 2.55,317 64.217,318 240.068,321 109.958,325 2.083,326 16.223,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 54,338 291,339 4.4,340 3.316,341 6.319,342 4.005,343 3.035,344 4.091,345 1.392,346 9.665,347 2.946,348 4.19,349 3.039,350 6.107,351 3.792,352 2.838,353 3.795,354 0.8,355 8.908,356 2.701,357 3.799,358 2.831,359 5.871,360 3.476,361 2.535,362 3.177,363 0.532,364 8.087,365 2.396,366 3.517,367 2.635,368 5.339,369 3.424,370 2.476,371 2.52,372 0.4,373 6.962,374 2.328,375 2.949,376 1.993,377 4.491,378 2.62,379 1.651,380 2.123,382 4.488,383 1.597,384 2.883,385 1.894,386 4.331,387 2.486,388 1.534,389 2.017,391 4.137,392 1.463,393 2.856,394 1.791,395 4.146,396 2.459,397 1.493,398 1.988,400 3.695,401 1.426,402 2.556,403 1.56,404 3.674,405 2.415,406 1.446,407 1.558,409 3.204,410 1.396,411 2.198,412 1.412,413 3.439,414 2.07,415 1.09,416 1.178,418 2.417,419 1.067,420 2.131,421 1.165,422 3.344,423 1.984,424 1,425 1.104,427 2.279,428 0.983,429 2,430 1.077,431 3.247,432 1.969,433 1,434 1,436 2.136,437 0.966,438 1.658,439 0.754,440 3.044,441 1.372,442 0.435,443 0.514,445 1.057,446 0.403,447 1.372,448 0.411,449 2.795,450 1.161,451 0.199,452 0.224,454 0.477,455 0.191,456 0.826,457 -0.063,458 2.58,459 0.622,460 -0.33,461 -0.363,463 -0.762,464 -0.314,465 0.779,466 -0.332,467 2.293,468 0.436,469 -0.55,470 -0.687,472 -1.476,473 -0.541,474 11.767,475 0.471,476 0.465,477 0.019,478 30.25,479 1.21,480 13.5,481 0.54,482 16.75,483 0.67,484 20.956,485 0.838,486 27.833,487 0.568,488 19.399,489 0.776,490 5.753,491 0.23,492 6.54,493 0.262,494 0.042,496 0.289,501 0.851,502 1.403,503 0.828,504 1.231,505 0.758,506 1.056,507 1.137,508 1.098,509 0.955,510 0.97,511 0.848,512 0.937,513 0.817,514 1.102,515 0.963,516 1.061,517 0.693,518 1.032,519 0.951,520 1.057,521 1.036,522 0.993,523 1.021,524 1.009,525 0.736,526 0.908,527 0.901,528 0.872,529 0.899,530 0.89,531 0.692,532 1.041,533 0.843,534 0.951,535 0.771,536 0.918,537 0.999,538 0.954,539 0.936,540 0.846,541 1.058,542 0.855,543 1.091,544 1.116,545 1.234,546 1.157,547 1.386,548 1.201,549 4,550 0.049,551 2.667,552 1.007,553 0.973,554 0.628,555 0.474,556 0.227,557 0.176,558 0.128,559 8571,560 18393,561 2.179,562 49,563 5,564 12,565 2,567 1,569 4,572 1.673,573 2.113,574 3.499,575 -0.317,577 1,582 74.371,583 1.518,584 3.258,585 4.344,586 4.905,587 4.946,588 4.946,589 2.953,590 4.324,591 4.613,592 3.688,593 1106.3,594 7.941,595 13921.3,597 1,599 1,600 275.121,601 1.078,602 4.606,603 0.143,604 0.004,605 0.07,606 0.028,607 0.034,608 0.024,609 0.018,610 0.009,611 0.008,612 0.009,613 0.347,614 0.33,615 1,616 0.372,617 123.051,618 0.047,619 -0.148,620 0.089,621 -0.099,622 0.1,623 -0.015,624 0.033,625 0.021,626 0.025,627 0.05,628 0.155,629 0.041,630 -0.003,631 -0.052,632 -0.009,633 -0.064,634 0.148,635 -0.042,636 -0.105,637 -0.062,638 -0.063,639 -0.045,640 -0.055,641 -0.043,642 0.047,643 0.06,644 0.076,645 0.059,646 0.056,647 0.073,648 0.175,649 -0.051,650 0.136,651 0.001,652 0.186,653 0.051,654 -0.03,655 0.074,656 0.057,657 0.081,658 -0.021,659 0.09,660 -0.114,661 -0.055,662 -0.267,663 -0.169,664 -0.274,665 -0.228,666 1.219,667 1.938,668 0.84,669 25.389,670 0.998,671 1.134,672 3.239,673 10.491,674 0.644,675 3.367,676 3.664,677 3.932,678 4.159,679 4.344,680 4.382,681 4.522,682 4.615,683 4.654,684 4.762,685 6.893,686 0.608,687 340.47,688 3.367,689 4.89,690 5.733,691 6.592,692 7.447,693 8.31,694 9.171,695 10.038,696 10.903,697 11.772,698 8.2,701 1,703 1,708 2,715 4,716 2,720 6,722 12,734 1,739 2,741 49,743 12,744 1,745 28,747 52,748 19,749 10,750 3,751 3,756 4,757 5,763 1,767 3,770 3,772 10,773 9,790 1,793 24,794 6,795 1,796 6,802 4,808 0.75,809 2,821 1,828 1,829 3,832 1,855 1,859 3,864 1,868 25,876 8,877 1,878 2,881 1,893 4.1,898 2,901 11.833,902 9.017,903 5.5,904 3.176,907 2.307,908 1.313,909 0.989,910 5.041,911 9.674,912 3.555,913 4.094,914 4.64,915 5.163,916 5.698,917 5.952,918 6.344,919 6.683,920 6.984,921 7.283,922 0.875,923 36,924 9.251,926 3.876,927 0.026,929 7.48,931 18.278,933 15.134,936 1.98,937 49.5,939 1,940 1,941 270.735,942 91.35,943 54.461,945 22,948 91.35,949 292.735,950 54.461,951 8.825,952 22.677,953 37.905,954 51.337,955 44.739,956 25.87,957 247.193,959 270.735,960 145.811,961 22,964 223.651,965 69.084,968 37.383,969 57.091,970 51.337,972 270.735,973 76.461,974 91.35,977 270.735,978 44.619,979 49.855,980 18.011,981 55.326,982 270.735,983 76.461,984 91.35,986 0.574,987 0.336,988 0.178,989 0.091,990 19,991 7,992 0.096,993 5,994 1,995 1.095,996 3.939,997 201.681,998 0.095,999 21,1000 112.096,1005 16.615,1006 7.586,1007 3.881,1009 76.461,1010 7.92,1011 8.757,1015 5.338,1017 18.011,1018 438.546,1019 34,1031 48.898,1032 55.564,1034 0.27,1035 0.58,1036 0.774,1037 0.874,1038 0.881,1039 0.881,1040 4.787,1041 1.446,1042 5.687,1043 3.695,1044 4.344,1045 4.779,1046 1.905,1047 6.45,1048 4.258,1049 5.944,1050 1.09,1051 7.212,1052 3.204,1053 3.761,1054 4.477,1055 0.325,1056 7.235,1057 3.617,1058 7.225,1059 1,1060 8.836,1061 2.417,1062 5.889,1063 6.891,1064 2.216,1065 10.314,1066 5.718,1067 8.544,1068 1,1069 10.522,1070 2.279,1071 6.176,1072 7.456,1073 0.268,1074 11.943,1075 5.947,1076 9.9,1077 0.435,1078 12.246,1079 2.136,1080 7.71,1081 9.326,1082 2.763,1083 14.492,1084 7.46,1085 11.279,1086 0.199,1087 13.996,1088 1.057,1089 8.404,1090 10.286,1091 0.188,1092 16.457,1093 8.104,1094 12.677,1095 -0.33,1096 15.764,1097 0.477,1098 9.682,1099 11.921,1100 3.377,1101 18.815,1102 9.359,1103 3.035,1104 -0.55,1105 17.545,1106 -0.762,1107 10.574,1108 13.077,1109 0.125,1110 20.926,1111 10.209,1112 2.838,1113 9.665,1114 19.334,1115 -1.476,1116 11.738,1117 14.597,1118 4.017,1119 23.212,1120 11.349,1121 2.535,1122 8.908,1123 21.131,1124 4.091,1125 12.727,1126 15.858,1127 0.082,1128 25.39,1129 12.301,1130 2.476,1131 8.087,1132 22.932,1133 3.795,1134 13.842,1135 17.318,1136 4.668,1137 27.648,1138 13.391,1139 1.651,1140 6.962,1141 24.737,1142 3.177,1143 14.879,1144 18.636,1145 0.054,1146 29.86,1147 14.395,1148 1.534,1149 4.488,1150 26.546,1151 2.52,1152 15.976,1153 20.065,1154 5.324,1155 32.109,1156 15.466,1157 1.493,1158 4.137,1159 28.357,1160 2.123,1161 17.038,1162 21.416,1163 0.035,1164 34.339,1165 16.498,1166 7912,1167 11843,1168 19.474,1169 31.546,1170 41.446,1171 42.073,1172 41.724,1173 41.485,1174 41.462,1175 50.577,1176 6.246,1177 115.022,1178 39.725,1179 5.4,1180 5.316,1181 6.121,1182 5.056,1183 5.035,1184 7.091,1185 2.783,1186 16.181,1187 4.946,1188 6.111,1189 1.48,1190 1.503,1191 1.49,1192 1.482,1193 1.481,1194 1.806,1195 0.223,1196 4.108,1197 1.419,1198 4.017,1199 4.046,1200 3.978,1201 3.917,1202 5.073,1203 3.927,1204 3.863,1205 3.926,1206 3.77,1207 3.705,1208 4.949,1209 3.707,1210 3.789,1211 3.828,1212 3.701,1213 3.646,1214 4.366,1215 3.655,1216 3.459,1217 3.536,1218 3.309,1219 3.273,1220 4.303,1221 3.268,1222 3.291,1223 3.328,1224 3.167,1225 3.064,1226 4.093,1227 3.088,1228 3.111,1229 3.206,1230 2.873,1231 2.941,1232 4.007,1233 2.91,1234 3.051,1235 3.156,1236 2.866,1237 2.827,1238 3.961,1239 2.825,1240 2.994,1241 3.089,1242 2.829,1243 2.744,1244 3.642,1245 2.75,1246 0.157,1247 0.118,1248 0.226,1249 0.143,1250 0.108,1251 4.4,1252 0.146,1253 3.316,1254 0.05,1255 6.319,1256 0.345,1257 4.005,1258 0.105,1259 3.035,1260 4.091,1261 1.392,1262 9.665,1263 2.946,1264 1.933,1265 1.91,1266 2.062,1267 2.056,1268 1.413,1269 2.054,1270 1.833,1271 1.768,1272 2.009,1273 2.012,1274 1.139,1275 2.019,1276 1.715,1277 1.678,1278 1.852,1279 1.857,1280 1.056,1281 1.856,1282 1.445,1283 1.367,1284 1.722,1285 1.657,1286 0.917,1287 1.684,1288 1.164,1289 1.13,1290 1.513,1291 1.519,1292 0.825,1293 1.486,1294 1.153,1295 1.064,1296 1.441,1297 1.376,1298 0.579,1299 1.429,1300 1.077,1301 1.007,1302 1.38,1303 1.348,1304 0.557,1305 1.368,1306 0.971,1307 0.869,1308 1.299,1309 1.261,1310 0.423,1311 1.277,1312 4.043,1314 5.342,1315 2.398,1316 6.838,1317 4.595,1318 8.422,1319 6.581,1320 10.049,1322 2.064,1328 8.694,1329 3.421,1330 10.792,1333 2.514,1340 29.783,1341 74.371,1342 159.655,1343 212.856,1344 240.366,1345 242.366,1346 242.366,1347 29.8,1348 7.367,1349 59.51,1350 59.51,1351 23,1352 12.317,1353 3.7,1354 2.807,1355 36.235,1356 105,1357 98,1358 0.169,1359 181.057,1360 311.76,1361 433.538,1362 16703,1364 17.062,1365 0.682,1366 0.585,1367 17.062,1368 14.624,1369 12.293,1370 0.439,1371 0.321,1372 8.853,1373 11.738,1374 8.659,1375 7.171,1376 12.293,1377 9,1378 10.77,1379 0.283,1380 0.175,1381 10.77,1382 6.658,1383 9.296,1384 0.186,1385 0.096,1386 9.296,1387 4.822,1388 7.669,1389 0.122,1390 0.054,1391 7.669,1392 3.372,1393 5.954,1394 0.078,1395 0.03,1396 5.954,1397 2.281,1398 0.272,1399 77.548,1400 0.227,1401 24.87,1402 0.443,1403 132,1404 364.739,1405 146.606,1406 345.428,1407 482.98,1408 328,1409 154,1410 365.174,1411 169.884,1412 366.637,1413 537.35,1414 344,1415 6}
{0 CHEMBL1085022,1 1.607,2 11.607,3 2.598,4 6.749,5 105.395,6 7.356,7 0.533,8 4.048,9 4.178,10 3.603,11 3.483,12 5.187,13 3.488,14 4.57,15 4.775,16 3.97,17 3.855,18 5.702,19 3.847,20 4.717,21 4.879,22 4.041,23 4.025,24 5.881,25 3.996,26 4.941,27 5.164,28 3.954,29 4.044,30 6.059,31 3.987,32 4.778,33 4.999,34 3.918,35 4.015,36 5.838,37 3.945,38 4.793,39 5.01,40 3.85,41 4.02,42 5.853,43 3.93,44 4.821,45 5.079,46 3.672,47 3.953,48 5.732,49 3.811,50 4.684,51 4.958,52 3.504,53 3.697,54 5.646,55 3.583,56 0.047,57 0.791,58 10.926,59 4.044,60 7.026,61 5.771,62 0.615,63 1.191,64 21.352,65 6.241,66 32.591,67 9.305,68 0.215,69 1.367,70 23.149,71 8.278,72 25.76,73 11.486,74 0.8,75 1.471,76 33.24,77 9.272,78 86.64,79 13.126,80 0.301,81 1.38,82 26.28,83 8.889,84 37.262,85 13.025,86 0.453,87 1.379,88 26.742,89 9.107,90 41.042,91 13.122,92 0.309,93 1.3,94 28.622,95 10.299,96 37.424,97 15.195,98 0.481,99 1.062,100 26.373,101 7.709,102 46.368,103 11.629,104 62,105 43,106 0.268,107 0.572,108 0.661,109 0.758,110 0.797,111 0.797,112 3.374,113 0.886,114 -3.09,115 -3.09,116 -2.97,121 38.5,126 5,144 7,145 1,146 1,148 1,153 1,155 1,161 2,163 1,176 6,179 4,180 4,182 1,183 3,185 1,187 5,189 2,192 4,197 1,200 2,203 3,205 2,206 9,211 1,213 1,214 1,216 3,219 8,224 1,227 4,232 4,234 3,237 2,239 6,243 1,244 2,249 2,251 4,256 5,258 2,268 2,269 6,272 1,281 1282,282 18.206,283 18.206,284 18.206,285 18.206,286 18.206,287 16.083,288 19.727,289 10.439,290 18.766,291 14.725,292 14.725,293 14.725,294 14.725,295 14.725,296 11.361,297 22.4,298 4.907,299 15.593,300 4.093,301 2.267,302 1.736,303 1.15,304 0.919,305 0.919,306 4.049,310 1,311 1,312 1,313 673,314 4.183,317 62.263,318 172.335,321 122.38,325 1.964,326 23.803,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 61.5,338 325,339 4.709,340 3.762,341 6.886,342 4.215,343 3.28,344 4.673,345 2.208,346 11.488,347 3.073,348 4.154,349 3.664,350 6.215,351 3.761,352 2.808,353 3.759,354 1.701,355 9.161,356 2.676,357 3.964,358 3.296,359 5.82,360 3.647,361 2.714,362 3.334,363 0.655,364 7.912,365 2.517,366 3.842,367 2.792,368 5.775,369 3.523,370 2.567,371 3.079,372 0.563,373 7.624,374 2.432,375 3.646,376 2.59,377 5.495,378 3.252,379 2.306,380 2.918,381 0.13,382 6.751,383 2.175,384 3.421,385 2.222,386 5.219,387 3.014,388 2.068,389 2.722,390 0.075,391 6.297,392 1.95,393 3.02,394 1.98,395 4.603,396 2.515,397 1.539,398 2.268,400 4.233,401 1.499,402 2.767,403 1.973,404 4.339,405 2.311,406 1.383,407 1.874,409 3.904,410 1.281,411 2.5,412 1.563,413 3.634,414 2.098,415 1.142,416 1.5,418 2.677,419 1.082,420 2.431,421 1.455,422 3.523,423 2,424 1.024,425 1.401,427 2.373,428 1,429 2.311,430 1.104,431 3.448,432 1.985,433 1,434 1.205,436 2.275,437 0.966,438 2.243,439 1,440 3.414,441 1.823,442 0.845,443 1.1,445 2.04,446 0.818,447 1.404,448 0.732,449 2.75,450 1.021,451 0.05,452 0.063,454 0.122,455 0.048,456 1.226,457 0.46,458 2.472,459 0.8,460 -0.178,461 -0.232,463 -0.444,464 -0.171,465 0.837,466 -0.09,467 2.386,468 0.444,469 -0.52,470 -0.668,472 -1.286,473 -0.496,474 13,475 0.464,476 0.898,477 0.032,478 36.5,479 1.304,480 17,481 0.607,482 19.5,483 0.696,484 21.576,485 0.771,486 31.1,487 0.598,488 30.927,489 1.105,490 7.734,491 0.276,492 5.54,493 0.198,494 0.244,496 0.392,501 0.816,502 1.77,503 0.786,504 1.32,505 0.59,506 1.08,507 0.703,508 0.69,509 0.734,510 0.597,511 0.459,512 0.634,513 1.082,514 1.449,515 1.018,516 1.324,517 0.838,518 1.182,519 1.642,520 0.818,521 1.194,522 0.776,523 1.68,524 0.892,525 0.845,526 1.153,527 0.925,528 1.068,529 0.842,530 1.013,531 0.866,532 1.015,533 1.122,534 1.113,535 0.945,536 1.151,537 0.541,538 1.129,539 0.914,540 1.214,541 0.528,542 1.154,543 1.003,544 0.83,545 0.959,546 0.882,547 0.887,548 0.907,549 6.5,550 0.193,551 4,552 2.076,553 1.886,554 1.167,555 0.693,556 0.543,557 0.32,558 0.23,559 9201,560 25954,561 1.972,562 46.2,564 22,565 1,567 1,572 1.709,573 1.787,574 3.495,575 -0.288,576 1,577 1,582 83.581,583 1.607,584 3.434,585 3.965,586 4.551,587 4.782,588 4.782,589 2.937,590 4.45,591 4.772,592 3.682,593 1391.96,594 8.298,595 18445.6,597 1,599 1,600 296.423,601 1.56,602 4.702,603 0.217,604 0.01,605 0.093,606 0.046,607 0.047,608 0.029,609 0.019,610 0.019,611 0.013,612 0.01,613 0.503,614 0.33,615 1,616 1.488,617 141.209,618 -0.043,619 -0.499,620 0.069,621 -0.232,622 -0.072,623 -0.089,624 0.291,625 0.477,626 0.224,627 0.354,628 0.175,629 0.295,630 -0.122,631 -0.309,632 -0.11,633 -0.263,634 0.001,635 -0.194,636 -0.283,637 0.167,638 -0.168,639 0.164,640 -0.255,641 0.035,642 -0.07,643 -0.102,644 0.004,645 -0.041,646 0.005,647 -0.006,648 -0.04,649 0.051,650 -0.191,651 -0.095,652 -0.094,653 -0.158,654 0.097,655 -0.201,656 0.025,657 -0.17,658 0.025,659 -0.102,660 -0.024,661 0.069,662 0.055,663 0.064,664 0.014,665 0.074,666 2.089,667 5.041,668 0.536,669 30.668,670 1.007,671 1.136,672 1.864,673 3.475,674 0.647,675 3.434,676 3.784,677 4.043,678 4.263,679 4.522,680 4.644,681 4.812,682 4.963,683 5.011,684 5.017,685 6.864,686 0.62,687 382.49,688 3.434,689 4.99,690 5.844,691 6.727,692 7.607,693 8.499,694 9.391,695 10.289,696 11.188,697 12.091,698 9.6,705 3,706 1,708 1,714 1,715 8,720 4,721 1,722 16,737 1,741 52,743 18,744 1,745 30,747 54,748 20,749 13,750 2,751 4,756 3,757 4,761 1,772 15,773 5,777 2,782 2,786 2,789 1,790 1,793 24,794 6,795 1,796 8,799 1,802 5,803 1,808 0.667,809 3,822 1,828 1,829 2,832 1,859 2,864 5,868 28,877 1,878 1,881 2,893 5.8,896 2,898 1,901 15.667,902 11.017,903 6.111,904 2.824,907 3.354,908 1.448,909 0.961,910 5.91,911 10.841,912 3.714,913 4.341,914 4.943,915 5.547,916 6.135,917 6.546,918 7.033,919 7.502,920 7.8,921 8.129,922 0.875,923 45,924 10.299,926 4.236,927 0.026,929 7.845,931 19.366,933 15.114,936 2.345,937 65.667,940 1,941 270.735,942 143.63,943 27.445,945 61.29,948 143.63,949 332.025,950 27.445,951 41.982,952 24.259,953 75.381,954 53.904,955 25.8,956 22.809,957 258.964,959 270.735,960 171.075,961 61.29,964 270.735,965 61.29,968 32.346,969 136.83,970 1.899,972 270.735,973 88.735,974 143.63,977 270.735,978 26.267,979 126.797,980 18.011,981 61.29,982 270.735,983 88.735,984 143.63,986 0.595,987 0.346,988 0.161,989 0.092,990 20,991 11,992 0.074,993 4,994 1,995 1.133,996 3.837,997 238.738,998 0.133,999 15,1000 126.606,1005 20.17,1006 8.204,1007 4.313,1008 0.926,1009 85.549,1010 14.984,1015 3.07,1016 2.034,1017 18.011,1018 503.1,1019 40,1024 23.711,1028 -0.619,1031 52.385,1032 59.064,1034 0.282,1035 0.602,1036 0.696,1037 0.798,1038 0.839,1039 0.839,1040 4.963,1041 1.383,1042 5.861,1043 4.233,1044 4.466,1045 5.027,1046 2.748,1047 6.696,1048 4.355,1049 6.196,1050 1.142,1051 7.449,1052 3.904,1053 4.205,1054 4.977,1055 2.2,1056 7.664,1057 4.015,1058 7.521,1059 1.024,1060 9.136,1061 2.677,1062 6.094,1063 7.278,1064 3.814,1065 10.758,1066 5.86,1067 8.883,1068 1,1069 10.878,1070 2.373,1071 6.608,1072 8.048,1073 3.903,1074 12.542,1075 6.291,1076 10.277,1077 0.845,1078 12.653,1079 2.275,1080 8.019,1081 9.874,1082 5.139,1083 15.185,1084 7.659,1085 11.694,1086 0.05,1087 14.453,1088 2.04,1089 8.874,1090 11.038,1091 5.525,1092 17.326,1093 8.431,1094 13.13,1095 -0.178,1096 16.27,1097 0.122,1098 10.11,1099 12.68,1100 6.572,1101 19.822,1102 9.62,1103 3.28,1104 -0.52,1105 18.102,1106 -0.444,1107 11.124,1108 14.04,1109 7.122,1110 22.125,1111 10.554,1112 2.808,1113 11.488,1114 19.946,1115 -1.286,1116 12.299,1117 15.611,1118 8.064,1119 24.574,1120 11.676,1121 2.714,1122 9.161,1123 21.8,1124 4.673,1125 13.389,1126 17.066,1127 8.711,1128 26.95,1129 12.692,1130 2.567,1131 7.912,1132 23.662,1133 3.759,1134 14.549,1135 18.612,1136 9.592,1137 29.387,1138 13.792,1139 2.306,1140 7.624,1141 25.533,1142 3.334,1143 15.678,1144 20.111,1145 10.297,1146 31.796,1147 14.85,1148 2.068,1149 6.751,1150 27.41,1151 3.079,1152 16.837,1153 21.65,1154 11.142,1155 34.232,1156 15.946,1157 1.539,1158 6.297,1159 29.293,1160 2.918,1161 17.988,1162 23.17,1163 11.882,1164 36.656,1165 17.028,1166 9245,1167 15636,1168 19.016,1169 33.625,1170 46.16,1171 47.742,1172 47.943,1173 45.543,1174 45.451,1175 59.794,1176 10.665,1177 133.713,1178 43.034,1179 5.537,1180 5.762,1181 6.405,1182 5.283,1183 5.28,1184 7.673,1185 3.912,1186 19.016,1187 5.073,1188 18.617,1189 1.539,1190 1.591,1191 1.598,1192 1.518,1193 1.515,1194 1.993,1195 0.356,1196 4.457,1197 1.434,1198 4.187,1199 4.236,1200 4.157,1201 4.033,1202 7.434,1203 4.057,1204 3.871,1205 3.894,1206 3.82,1207 3.78,1208 7.429,1209 3.785,1210 3.665,1211 3.734,1212 3.588,1213 3.391,1214 4.997,1215 3.427,1216 3.605,1217 3.674,1218 3.513,1219 3.329,1220 4.776,1221 3.363,1222 3.428,1223 3.497,1224 3.318,1225 3.269,1226 4.348,1227 3.273,1228 3.153,1229 3.226,1230 3.012,1231 2.942,1232 4.238,1233 2.948,1234 3.05,1235 3.123,1236 2.904,1237 2.786,1238 4.202,1239 2.8,1240 2.993,1241 3.027,1242 2.81,1243 2.735,1244 4.007,1245 2.723,1246 0.157,1247 0.125,1248 0.23,1249 0.141,1250 0.109,1251 4.709,1252 0.156,1253 3.762,1254 0.074,1255 6.886,1256 0.383,1257 4.215,1258 0.102,1259 3.28,1260 4.673,1261 2.208,1262 11.488,1263 3.073,1264 1.919,1265 1.893,1266 2.012,1267 2.097,1268 1.134,1269 2.071,1270 1.912,1271 1.873,1272 2,1273 2.013,1274 1.112,1275 2.01,1276 1.551,1277 1.488,1278 1.79,1279 1.839,1280 0.843,1281 1.822,1282 1.522,1283 1.446,1284 1.784,1285 1.817,1286 0.836,1287 1.807,1288 1.465,1289 1.39,1290 1.689,1291 1.692,1292 0.778,1293 1.696,1294 1.126,1295 1.053,1296 1.417,1297 1.339,1298 0.469,1299 1.359,1300 1.01,1301 0.944,1302 1.417,1303 1.324,1304 0.469,1305 1.308,1306 0.934,1307 0.836,1308 1.38,1309 1.239,1310 0.459,1311 1.308,1312 4.111,1314 5.451,1315 2.398,1316 6.974,1317 4.844,1318 8.579,1319 7.05,1320 10.23,1322 8.622,1329 2.892,1330 5.264,1333 2.856,1340 32.256,1341 83.581,1342 178.558,1343 206.168,1344 236.648,1345 248.648,1346 248.648,1347 47.963,1348 7.487,1349 70.17,1350 70.17,1351 17,1352 12.612,1353 4.248,1354 3.459,1355 49.796,1356 113,1357 116,1358 0.217,1359 201.514,1360 343.71,1361 483.455,1362 17215,1364 20.422,1365 0.729,1366 0.596,1367 20.422,1368 16.685,1369 13.274,1370 0.442,1371 0.295,1372 8.658,1373 12.545,1374 8.275,1375 7.023,1376 13.274,1377 8.862,1378 12.472,1379 0.29,1380 0.162,1381 12.472,1382 6.945,1383 10.316,1384 0.184,1385 0.079,1386 10.316,1387 4.45,1388 7.574,1389 0.108,1390 0.041,1391 7.574,1392 2.838,1393 6.38,1394 0.07,1395 0.022,1396 6.38,1397 1.979,1398 0.342,1399 84.67,1400 0.229,1401 26.789,1402 0.593,1403 146,1404 454.808,1405 165.958,1406 434.541,1407 591.28,1408 404,1409 172,1410 442.433,1411 192.824,1412 448.613,1413 651.41,1414 415,1415 5.796}
{0 CHEMBL1085026,1 1.573,2 10.167,3 3.259,4 10.622,5 90.306,6 7.418,7 0.615,8 3.89,9 4.004,10 3.461,11 3.35,12 5.024,13 3.356,14 4.408,15 4.593,16 3.817,17 3.711,18 5.517,19 3.707,20 4.524,21 4.673,22 3.887,23 3.865,24 5.647,25 3.842,26 4.717,27 4.914,28 3.786,29 3.887,30 5.801,31 3.833,32 4.612,33 4.831,34 3.653,35 3.861,36 5.601,37 3.761,38 4.609,39 4.844,40 3.48,41 3.784,42 5.543,43 3.654,44 4.487,45 4.747,46 3.281,47 3.586,48 5.352,49 3.436,50 4.281,51 4.557,52 3.107,53 3.283,54 5.172,55 3.162,56 0.03,57 0.641,58 9.088,59 3.758,60 5.948,61 4.951,62 0.507,63 0.983,64 17.977,65 5.636,66 28.527,67 7.806,68 0.168,69 1.104,70 18.749,71 7.259,72 17.853,73 9.468,74 0.567,75 1.209,76 25.677,77 8.013,78 53.379,79 10.58,80 0.233,81 1.151,82 22.046,83 8.282,84 28.4,85 11.592,86 0.331,87 1.079,88 22.854,89 8.372,90 32.308,91 11.705,92 0.253,93 0.897,94 20.9,95 7.787,96 26.323,97 11.048,98 0.312,99 0.7,100 17.864,101 5.845,102 26.756,103 8.375,104 32,105 37,106 0.272,107 0.585,108 0.713,109 0.807,110 0.807,111 0.807,112 3.228,113 0.883,114 -3.41,115 -3.39,116 -3.24,121 40.9,126 4,144 7,145 1,146 1,148 1,153 1,155 1,161 1,163 1,176 6,179 4,180 5,182 1,187 5,189 2,192 5,200 2,203 3,206 8,208 1,214 1,216 3,219 7,227 4,232 4,234 1,239 6,243 1,244 2,251 4,256 1,258 2,268 3,269 2,281 782,282 16.008,283 16.008,284 16.008,285 16.008,286 16.008,287 14.015,288 14.857,289 9.193,290 16.593,291 12.712,292 12.712,293 12.712,294 12.712,295 12.712,296 9.586,297 14.73,298 4.226,299 13.567,300 3.887,301 2.078,302 1.339,303 0.796,304 0.796,305 0.796,306 3.905,310 1,311 1,312 1,313 514,314 3.391,317 51.298,318 143.287,321 101.03,325 1.681,326 16.768,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 52.5,338 244,339 4.707,340 3.762,341 6.884,342 4.209,343 3.276,344 4.672,345 2.208,346 11.473,347 3.063,348 4.142,349 3.338,350 6.196,351 3.729,352 2.784,353 3.755,354 0.86,355 9.074,356 2.633,357 3.931,358 2.869,359 5.816,360 3.594,361 2.657,362 3.305,363 0.655,364 7.89,365 2.464,366 3.696,367 2.666,368 5.547,369 3.281,370 2.343,371 3.011,372 0.13,373 6.972,374 2.19,375 3.444,376 2.298,377 5.221,378 3.032,379 2.092,380 2.752,382 6.319,383 1.955,384 3.02,385 1.978,386 4.6,387 2.515,388 1.539,389 2.268,391 4.226,392 1.499,393 2.775,394 1.635,395 4.324,396 2.301,397 1.38,398 1.885,400 3.849,401 1.269,402 2.5,403 1.541,404 3.611,405 2.03,406 1.093,407 1.5,409 2.522,410 1.01,411 2.412,412 1.201,413 3.494,414 2,415 1,416 1.381,418 2.297,419 1,420 2.306,421 1,422 3.414,423 1.93,424 0.973,425 1.197,427 2.275,428 0.919,429 1.624,430 0.856,431 2.857,432 1.311,433 0.422,434 0.489,436 0.704,437 0.371,438 1.317,439 0.679,440 2.629,441 0.912,442 -0.044,443 -0.056,445 -0.101,446 -0.042,447 0.919,448 -0.015,449 2.392,450 0.536,451 -0.403,452 -0.502,454 -0.916,455 -0.373,456 0.704,457 -0.297,458 2.3,459 0.244,460 -0.688,461 -0.909,463 -1.525,464 -0.637,465 0.591,466 -0.498,467 2.109,468 0.138,469 -0.85,470 -1,472 -2,473 -0.827,474 11.2,475 0.467,476 0.665,477 0.028,478 32,479 1.333,480 15.5,481 0.646,482 16.5,483 0.688,484 17.007,485 0.709,486 26.3,487 0.598,488 24.522,489 1.022,490 6.794,491 0.283,492 4.713,493 0.196,494 0.208,496 0.375,501 0.84,502 1.653,503 0.764,504 1.292,505 0.635,506 1.055,507 0.922,508 0.736,509 0.767,510 0.606,511 0.552,512 0.631,513 1.088,514 1.343,515 0.967,516 1.236,517 0.763,518 1.102,519 1.623,520 0.916,521 1.243,522 0.873,523 1.683,524 0.97,525 0.751,526 1.12,527 1.026,528 1.142,529 0.845,530 1.132,531 0.806,532 0.983,533 1.101,534 1.117,535 0.829,536 1.158,537 0.619,538 1.011,539 0.9,540 1.136,541 0.511,542 1.094,543 0.857,544 0.794,545 0.789,546 0.85,547 0.721,548 0.828,549 5,550 0.136,551 3.333,552 1.951,553 1.646,554 1,555 0.378,556 0.28,557 0.222,558 0.17,559 6117,560 16725,561 2.015,562 45.5,564 19,565 1,572 1.666,573 1.846,574 3.303,575 -0.74,576 1,577 1,579 1,582 69.208,583 1.573,584 3.382,585 4.12,586 4.664,587 4.664,588 4.664,589 2.777,590 4.168,591 4.552,592 3.48,593 960.574,594 7.846,595 11258.8,597 1,599 1,600 240.215,601 1.528,602 4.493,603 0.192,604 0.01,605 0.09,606 0.05,607 0.048,608 0.033,609 0.016,610 0.015,611 0.014,612 0.011,613 0.479,614 0.5,615 1,616 1.343,617 114.283,618 -0.022,619 -0.45,620 0.083,621 -0.232,622 -0.066,623 -0.087,624 0.194,625 0.401,626 0.197,627 0.341,628 0.164,629 0.285,630 -0.107,631 -0.242,632 -0.064,633 -0.201,634 0.034,635 -0.135,636 -0.3,637 0.097,638 -0.241,639 0.081,640 -0.271,641 -0.047,642 -0.062,643 -0.1,644 -0.11,645 -0.124,646 -0.03,647 -0.123,648 -0.036,649 -0.019,650 -0.156,651 -0.109,652 -0.082,653 -0.147,654 0.108,655 -0.135,656 0.067,657 -0.117,658 0.041,659 -0.05,660 0.109,661 0.053,662 0.242,663 0.114,664 0.097,665 0.182,666 2.062,667 4.592,668 0.625,669 21.931,670 1.007,671 1.128,672 2.175,673 4.732,674 0.656,675 3.296,676 3.638,677 3.932,678 4.174,679 4.407,680 4.5,681 4.635,682 4.727,683 4.754,684 4.779,685 6.066,686 0.629,687 326.41,688 3.296,689 4.844,690 5.707,691 6.594,692 7.48,693 8.375,694 9.271,695 10.171,696 11.072,697 11.976,698 6.8,705 1,706 1,708 1,714 1,715 8,720 4,721 1,722 16,737 1,739 1,741 44,743 17,744 1,745 26,747 46,748 18,749 13,750 2,751 4,756 3,757 4,772 14,773 4,777 1,782 1,786 1,789 1,790 1,793 20,794 4,796 6,799 1,802 3,803 1,808 0.667,809 3,822 1,828 1,829 2,832 1,859 2,864 4,868 24,878 2,881 1,893 6.8,896 1,898 2,901 13,902 9.317,903 5.333,904 2.415,907 3.269,908 1.457,909 0.967,910 4.666,911 10.416,912 3.584,913 4.23,914 4.876,915 5.503,916 6.077,917 6.465,918 6.933,919 7.367,920 7.653,921 7.98,922 0.857,923 39,924 8.807,926 3.607,927 0.026,929 7.75,931 16.701,933 13.086,936 2.25,937 54,940 1,941 235.422,942 135.932,943 6.31,945 47.145,948 135.932,949 282.567,950 6.31,951 36.072,952 3.124,953 75.381,954 28.759,955 39.287,956 18.534,957 223.651,959 235.422,960 142.241,961 47.145,964 235.422,965 47.145,968 13.697,969 126.645,970 1.899,972 235.422,973 53.455,974 135.932,977 235.422,978 24.478,979 117.763,981 47.145,982 235.422,983 53.455,984 135.932,986 0.587,987 0.355,988 0.179,989 0.098,990 18,991 9,992 0.087,993 4,994 1,995 1.133,996 3.536,997 194.234,998 0.133,999 15,1000 102.039,1005 16.643,1006 6.729,1007 3.223,1008 1.021,1009 50.269,1010 15.363,1015 3.338,1016 2.087,1018 424.808,1019 35,1024 11.592,1028 -0.396,1031 44.298,1032 49.652,1034 0.288,1035 0.619,1036 0.755,1037 0.854,1038 0.854,1039 0.854,1040 4.82,1041 1.093,1042 5.714,1043 3.849,1044 4.317,1045 4.916,1046 2.456,1047 6.558,1048 4.194,1049 6.054,1050 1,1051 7.303,1052 2.522,1053 4.007,1054 4.844,1055 1.847,1056 7.545,1057 3.8,1058 7.383,1059 0.973,1060 8.993,1061 2.297,1062 5.948,1063 7.204,1064 3.559,1065 10.652,1066 5.697,1067 8.751,1068 0.422,1069 10.739,1070 2.275,1071 6.447,1072 7.975,1073 3.656,1074 12.465,1075 6.102,1076 10.153,1077 -0.044,1078 12.521,1079 0.704,1080 7.884,1081 9.828,1082 4.961,1083 15.114,1084 7.502,1085 11.579,1086 -0.403,1087 14.329,1088 -0.101,1089 8.742,1090 10.999,1091 5.37,1092 17.274,1093 8.267,1094 13.024,1095 -0.688,1096 16.155,1097 -0.916,1098 9.993,1099 12.654,1100 6.459,1101 19.774,1102 9.475,1103 3.276,1104 -0.85,1105 17.995,1106 -1.525,1107 11.015,1108 14.019,1109 7.028,1110 22.088,1111 10.413,1112 2.784,1113 11.473,1114 19.848,1115 -2,1116 12.201,1117 15.596,1118 7.994,1119 24.54,1120 11.546,1121 2.657,1122 9.074,1123 21.71,1124 4.672,1125 13.301,1126 17.054,1127 8.654,1128 26.921,1129 12.568,1130 2.343,1131 7.89,1132 23.581,1133 3.755,1134 14.468,1135 18.602,1136 9.549,1137 29.36,1138 13.677,1139 2.092,1140 6.972,1141 25.459,1142 3.305,1143 15.605,1144 20.103,1145 10.263,1146 31.771,1147 14.74,1148 1.539,1149 6.319,1150 27.344,1151 3.011,1152 16.771,1153 21.643,1154 11.116,1155 34.207,1156 15.843,1157 1.38,1158 4.226,1159 29.234,1160 2.752,1161 17.927,1162 23.164,1163 11.862,1164 36.632,1165 16.929,1166 6095,1167 10178,1168 16.819,1169 28.853,1170 39.499,1171 40.776,1172 41.314,1173 39.135,1174 39.117,1175 52.431,1176 7.706,1177 115.207,1178 36.749,1179 5.531,1180 5.762,1181 6.472,1182 5.271,1183 5.276,1184 7.672,1185 3.912,1186 18.98,1187 5.063,1188 14.077,1189 1.519,1190 1.568,1191 1.589,1192 1.505,1193 1.504,1194 2.017,1195 0.296,1196 4.431,1197 1.413,1198 4.181,1199 4.228,1200 4.152,1201 4.028,1202 7.433,1203 4.052,1204 3.869,1205 3.89,1206 3.817,1207 3.776,1208 5.037,1209 3.782,1210 3.618,1211 3.683,1212 3.532,1213 3.352,1214 4.794,1215 3.384,1216 3.458,1217 3.515,1218 3.357,1219 3.282,1220 4.528,1221 3.292,1222 3.235,1223 3.3,1224 3.075,1225 2.991,1226 4.284,1227 3.002,1228 3.08,1229 3.169,1230 2.907,1231 2.843,1232 4.179,1233 2.833,1234 3.008,1235 3.032,1236 2.827,1237 2.735,1238 3.998,1239 2.752,1240 2.874,1241 3.009,1242 2.687,1243 2.725,1244 3.792,1245 2.715,1246 0.181,1247 0.145,1248 0.265,1249 0.162,1250 0.126,1251 4.707,1252 0.18,1253 3.762,1254 0.085,1255 6.884,1256 0.441,1257 4.209,1258 0.118,1259 3.276,1260 4.672,1261 2.208,1262 11.473,1263 3.063,1264 1.916,1265 1.893,1266 2.011,1267 2.083,1268 1.131,1269 2.057,1270 1.902,1271 1.864,1272 1.99,1273 2.011,1274 1.098,1275 2.009,1276 1.536,1277 1.477,1278 1.785,1279 1.826,1280 0.836,1281 1.811,1282 1.473,1283 1.401,1284 1.693,1285 1.703,1286 0.777,1287 1.704,1288 1.181,1289 1.105,1290 1.563,1291 1.495,1292 0.57,1293 1.518,1294 1.126,1295 1.052,1296 1.417,1297 1.338,1298 0.469,1299 1.356,1300 0.934,1301 0.846,1302 1.374,1303 1.239,1304 0.458,1305 1.308,1306 0.886,1307 0.821,1308 1.181,1309 1.205,1310 0.218,1311 1.147,1312 3.97,1314 5.303,1315 2.398,1316 6.834,1317 4.844,1318 8.451,1319 7.05,1320 10.115,1322 6.958,1330 10.652,1333 1.39,1340 27.686,1341 69.208,1342 148.789,1343 181.279,1344 205.195,1345 205.195,1346 205.195,1347 32.189,1348 7.147,1349 47.06,1350 47.06,1351 17,1352 12.496,1353 4.17,1354 3.322,1355 39.438,1356 87,1357 84,1358 0.228,1359 171.669,1360 289.75,1361 410.631,1362 11051,1364 17.267,1365 0.719,1366 0.593,1367 17.267,1368 14.238,1369 11.507,1370 0.443,1371 0.294,1372 7.474,1373 10.869,1374 7.167,1375 6.061,1376 11.507,1377 7.652,1378 10.423,1379 0.282,1380 0.156,1381 10.423,1382 5.778,1383 9.027,1384 0.181,1385 0.08,1386 9.027,1387 3.981,1388 7.039,1389 0.11,1390 0.041,1391 7.039,1392 2.656,1393 5.744,1394 0.071,1395 0.022,1396 5.744,1397 1.801,1398 0.357,1399 73.456,1400 0.244,1401 23.407,1402 0.626,1403 126,1404 390.83,1405 142.709,1406 369.047,1407 508.1,1408 346,1409 150,1410 382.976,1411 167.657,1412 387.2,1413 564.71,1414 359,1415 5.092}
{0 CHEMBL1085027,1 1.629,2 10.76,3 2.349,4 5.518,5 92.332,6 7.714,7 0.593,8 3.894,9 4.013,10 3.49,11 3.36,12 5.08,13 3.372,14 4.396,15 4.577,16 3.843,17 3.73,18 5.569,19 3.726,20 4.555,21 4.717,22 3.907,23 3.89,24 5.694,25 3.864,26 4.732,27 4.934,28 3.836,29 3.915,30 5.857,31 3.862,32 4.632,33 4.847,34 3.74,35 3.875,36 5.727,37 3.797,38 4.6,39 4.824,40 3.587,41 3.793,42 5.675,43 3.688,44 4.512,45 4.775,46 3.362,47 3.611,48 5.461,49 3.476,50 4.288,51 4.545,52 3.217,53 3.298,54 5.364,55 3.214,56 0.061,57 0.669,58 8.472,59 3.513,60 6.565,61 4.607,62 0.501,63 1.021,64 16.662,65 5.427,66 30.143,67 7.481,68 0.236,69 1.168,70 18.64,71 7.148,72 22.173,73 9.383,74 0.607,75 1.264,76 25.355,77 8.073,78 57.174,79 10.653,80 0.305,81 1.184,82 22.061,83 8.042,84 35.623,85 11.128,86 0.398,87 1.095,88 21.976,89 7.971,90 40.269,91 11.055,92 0.303,93 0.936,94 21.508,95 7.733,96 33.883,97 11.14,98 0.377,99 0.709,100 17.911,101 5.584,102 40.518,103 7.827,104 35,105 38,106 0.281,107 0.613,108 0.728,109 0.822,110 0.822,111 0.822,112 3.267,113 0.868,114 -2.98,115 -2.98,116 -2.87,121 40.9,126 3,144 7,145 1,146 1,148 1,153 1,155 1,160 1,161 1,163 1,176 6,179 3,180 4,182 1,183 2,185 1,187 5,189 2,192 4,197 1,200 2,203 3,205 1,206 8,211 1,213 1,214 1,216 3,219 7,224 1,227 4,232 3,234 2,237 2,239 6,243 1,244 1,249 2,251 4,256 3,258 2,268 2,269 4,272 1,281 909,282 16.715,283 16.715,284 16.715,285 16.715,286 16.715,287 14.592,288 17.465,289 9.802,290 17.19,291 13.25,292 13.25,293 13.25,294 13.25,295 13.25,296 9.952,297 19.469,298 4.53,299 13.977,300 3.83,301 1.897,302 1.231,303 0.688,304 0.688,305 0.688,306 3.945,310 1,311 1,312 1,313 563,314 3.536,317 53.932,318 150.357,321 106.195,325 1.77,326 20.648,328 1,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 55,338 269,339 4.707,340 3.762,341 6.884,342 4.212,343 3.277,344 4.672,345 2.208,346 11.479,347 3.07,348 4.144,349 3.32,350 6.199,351 3.734,352 2.786,353 3.756,354 1.058,355 9.095,356 2.649,357 3.933,358 2.951,359 5.816,360 3.6,361 2.66,362 3.309,363 0.655,364 7.892,365 2.471,366 3.702,367 2.759,368 5.553,369 3.297,370 2.35,371 3.015,372 0.13,373 7.02,374 2.218,375 3.45,376 2.558,377 5.221,378 3.051,379 2.1,380 2.756,382 6.328,383 1.989,384 3.02,385 2.206,386 4.611,387 2.518,388 1.54,389 2.268,391 4.246,392 1.502,393 2.834,394 1.977,395 4.342,396 2.377,397 1.437,398 1.919,400 3.939,401 1.341,402 2.666,403 1.563,404 3.617,405 2.165,406 1.178,407 1.625,409 2.61,410 1.152,411 2.5,412 1.455,413 3.498,414 2,415 1.026,416 1.5,418 2.34,419 1,420 2.331,421 1.104,422 3.414,423 1.99,424 1,425 1.221,427 2.275,428 0.97,429 2.288,430 1,431 3.158,432 1.81,433 0.813,434 1.141,436 1.599,437 0.802,438 1.402,439 0.731,440 2.712,441 1.006,442 0.028,443 0.036,445 0.062,446 0.027,447 1.225,448 0.435,449 2.397,450 0.786,451 -0.206,452 -0.277,454 -0.429,455 -0.201,456 0.837,457 -0.115,458 2.3,459 0.442,460 -0.528,461 -0.695,463 -1.192,464 -0.508,465 0.621,466 -0.373,467 2.23,468 0.157,469 -0.824,470 -1,472 -1.816,473 -0.799,474 11.6,475 0.464,476 0.665,477 0.027,478 34.25,479 1.37,480 17,481 0.68,482 17.25,483 0.69,484 17.032,485 0.681,486 27.1,487 0.616,488 26.776,489 1.071,490 7.274,491 0.291,492 4.733,493 0.189,494 0.187,496 0.362,501 0.794,502 1.631,503 0.74,504 1.227,505 0.55,506 1.006,507 0.708,508 0.789,509 0.768,510 0.678,511 0.513,512 0.704,513 0.99,514 1.311,515 0.966,516 1.192,517 0.664,518 1.089,519 1.388,520 0.928,521 1.178,522 0.893,523 1.17,524 0.981,525 0.822,526 1.09,527 1,528 1.106,529 0.857,530 1.086,531 0.779,532 1.005,533 1.084,534 1.139,535 0.959,536 1.17,537 0.579,538 0.995,539 0.863,540 1.11,541 0.579,542 1.065,543 1.069,544 0.807,545 0.868,546 0.863,547 1.101,548 0.845,549 5,550 0.148,551 3.333,552 1.951,553 1.646,554 1.028,555 0.514,556 0.28,557 0.222,558 0.18,559 6828,560 20683,561 2.015,562 43.2,564 16,565 1,566 1,567 1,572 1.678,573 1.852,574 3.377,575 -0.277,576 1,577 1,579 1,582 71.691,583 1.629,584 3.562,585 4.228,586 4.772,587 4.772,588 4.772,589 2.923,590 4.103,591 4.609,592 3.548,593 1064.49,594 7.966,595 12880.3,597 1,599 1,600 240.215,601 1.516,602 4.555,603 0.185,604 0.01,605 0.088,606 0.049,607 0.046,608 0.031,609 0.019,610 0.013,611 0.012,612 0.01,613 0.463,614 0.33,615 1,616 1.419,617 120.977,618 -0.055,619 -0.418,620 0.062,621 -0.191,622 -0.047,623 -0.068,624 0.227,625 0.369,626 0.144,627 0.273,628 0.112,629 0.209,630 -0.122,631 -0.218,632 -0.088,633 -0.17,634 -0.013,635 -0.128,636 -0.236,637 0.076,638 -0.199,639 0.07,640 -0.163,641 -0.041,642 -0.078,643 -0.08,644 -0.077,645 -0.093,646 -0.018,647 -0.082,648 0.012,649 -0.034,650 -0.14,651 -0.128,652 -0.078,653 -0.159,654 0.122,655 -0.124,656 0.126,657 -0.087,658 0.042,660 0.03,661 0.043,662 0.192,663 0.105,664 -0.002,665 0.164,666 2.086,667 4.599,668 0.6,669 24.352,670 1.012,671 1.13,672 1.747,673 3.051,674 0.661,675 3.332,676 3.664,677 3.951,678 4.205,679 4.443,680 4.543,681 4.691,682 4.804,683 4.82,684 4.844,685 6.289,686 0.64,687 339.41,688 3.332,689 4.875,690 5.733,691 6.619,692 7.503,693 8.397,694 9.292,695 10.193,696 11.094,697 11.998,698 9.1,705 2,706 1,708 1,714 1,715 8,720 4,721 1,722 16,737 1,741 44,743 18,744 1,745 27,747 46,748 18,749 13,750 2,751 4,756 3,757 4,772 15,773 3,777 2,782 2,784 1,786 1,789 1,790 1,793 19,794 5,795 1,796 7,799 1,802 4,803 1,808 0.667,809 3,822 1,828 1,829 2,832 1,843 1,859 2,864 3,868 25,877 1,878 1,881 1,893 6.8,896 2,898 1,901 13.5,902 8.9,903 5.583,904 2.408,907 3.366,908 1.465,909 0.975,910 4.946,911 10.608,912 3.638,913 4.259,914 4.891,915 5.527,916 6.107,917 6.506,918 6.984,919 7.438,920 7.719,921 8.051,922 1,923 40,924 9.16,926 3.78,927 0.026,929 7.9,931 17.177,933 13.498,936 2.4,937 60,940 1,941 211.88,942 133.557,943 24.321,945 61.29,948 133.557,949 273.17,950 24.321,951 25.189,952 21.135,953 75.381,954 76.671,955 25.8,956 18.534,957 188.338,959 211.88,960 157.878,961 61.29,964 211.88,965 61.29,968 29.222,969 126.757,970 1.899,972 211.88,973 85.61,974 133.557,977 211.88,978 21.991,979 117.875,980 18.011,981 61.29,982 211.88,983 85.61,984 133.557,986 0.581,987 0.346,988 0.18,989 0.102,990 18,991 9,992 0.087,993 4,994 1,995 1.133,996 3.632,997 204.462,998 0.133,999 15,1000 110.096,1005 17.296,1006 7.149,1007 3.463,1008 0.935,1009 82.425,1010 14.908,1015 3.099,1016 2.025,1017 18.011,1018 431.047,1019 37,1024 22.376,1026 0.655,1028 -0.419,1031 44.516,1032 49.735,1034 0.298,1035 0.653,1036 0.774,1037 0.874,1038 0.874,1039 0.874,1040 4.868,1041 1.178,1042 5.733,1043 3.939,1044 4.344,1045 4.945,1046 2.519,1047 6.572,1048 4.237,1049 6.094,1050 1.026,1051 7.317,1052 2.61,1053 4.007,1054 4.844,1055 1.847,1056 7.545,1057 3.812,1058 7.413,1059 1,1060 9.002,1061 2.34,1062 5.964,1063 7.216,1064 3.599,1065 10.661,1066 5.733,1067 8.774,1068 0.813,1069 10.745,1070 2.275,1071 6.447,1072 7.975,1073 3.656,1074 12.469,1075 6.121,1076 10.17,1077 0.028,1078 12.526,1079 1.599,1080 7.894,1081 9.833,1082 4.975,1083 15.12,1084 7.534,1085 11.592,1086 -0.206,1087 14.333,1088 0.062,1089 8.744,1090 11,1091 5.37,1092 17.28,1093 8.293,1094 13.034,1095 -0.528,1096 16.158,1097 -0.429,1098 10,1099 12.656,1100 6.463,1101 19.781,1102 9.507,1103 3.277,1104 -0.824,1105 17.998,1106 -1.192,1107 11.019,1108 14.021,1109 7.028,1110 22.094,1111 10.443,1112 2.786,1113 11.479,1114 19.851,1115 -1.816,1116 12.207,1117 15.598,1118 7.995,1119 24.547,1120 11.58,1121 2.66,1122 9.095,1123 21.713,1124 4.672,1125 13.305,1126 17.056,1127 8.654,1128 26.928,1129 12.602,1130 2.35,1131 7.892,1132 23.584,1133 3.756,1134 14.473,1135 18.604,1136 9.55,1137 29.367,1138 13.712,1139 2.1,1140 7.02,1141 25.462,1142 3.309,1143 15.609,1144 20.105,1145 10.263,1146 31.778,1147 14.777,1148 1.54,1149 6.328,1150 27.346,1151 3.015,1152 16.775,1153 21.644,1154 11.116,1155 34.214,1156 15.881,1157 1.437,1158 4.246,1159 29.236,1160 2.756,1161 17.932,1162 23.166,1163 11.862,1164 36.639,1165 16.968,1166 6821,1167 11963,1168 17.512,1169 29.097,1170 41.07,1171 43.055,1172 42.702,1173 40.495,1174 40.39,1175 54.438,1176 8.102,1177 117.767,1178 38.382,1179 5.531,1180 5.762,1181 6.653,1182 5.275,1183 5.277,1184 7.672,1185 3.912,1186 18.991,1187 5.07,1188 14.569,1189 1.521,1190 1.595,1191 1.582,1192 1.5,1193 1.496,1194 2.016,1195 0.3,1196 4.362,1197 1.422,1198 4.185,1199 4.235,1200 4.155,1201 4.032,1202 7.455,1203 4.056,1204 3.87,1205 3.893,1206 3.819,1207 3.779,1208 7.433,1209 3.784,1210 3.621,1211 3.685,1212 3.536,1213 3.357,1214 4.997,1215 3.389,1216 3.493,1217 3.556,1218 3.405,1219 3.29,1220 4.776,1221 3.305,1222 3.308,1223 3.353,1224 3.208,1225 3.061,1226 4.342,1227 3.096,1228 3.087,1229 3.169,1230 2.925,1231 2.851,1232 4.22,1233 2.853,1234 3.01,1235 3.032,1236 2.878,1237 2.735,1238 4.017,1239 2.759,1240 2.874,1241 3.009,1242 2.687,1243 2.725,1244 3.959,1245 2.715,1246 0.174,1247 0.139,1248 0.255,1249 0.156,1250 0.121,1251 4.707,1252 0.173,1253 3.762,1254 0.082,1255 6.884,1256 0.425,1257 4.212,1258 0.114,1259 3.277,1260 4.672,1261 2.208,1262 11.479,1263 3.07,1264 1.919,1265 1.893,1266 2.012,1267 2.094,1268 1.133,1269 2.069,1270 1.911,1271 1.872,1272 2,1273 2.012,1274 1.111,1275 2.01,1276 1.538,1277 1.479,1278 1.785,1279 1.827,1280 0.836,1281 1.811,1282 1.478,1283 1.403,1284 1.694,1285 1.712,1286 0.781,1287 1.71,1288 1.192,1289 1.145,1290 1.417,1291 1.522,1292 0.469,1293 1.484,1294 1.126,1295 1.052,1296 1.41,1297 1.338,1298 0.459,1299 1.355,1300 0.934,1301 0.845,1302 1.356,1303 1.239,1304 0.266,1305 1.308,1306 0.886,1307 0.821,1308 1.181,1309 1.204,1310 0.218,1311 1.146,1312 4.007,1314 5.333,1315 2.398,1316 6.855,1317 4.844,1318 8.468,1319 7.05,1320 10.129,1322 5.22,1329 2.691,1330 5.233,1333 1.371,1340 28.181,1341 71.691,1342 156.75,1343 186.034,1344 209.95,1345 209.95,1346 209.95,1347 37.08,1348 7.242,1349 66.93,1350 66.93,1351 17,1352 12.518,1353 4.248,1354 3.459,1355 41.916,1356 93,1357 92,1358 0.224,1359 175.535,1360 298.11,1361 420.066,1362 12526,1364 17.974,1365 0.719,1366 0.573,1367 17.974,1368 14.315,1369 12.007,1370 0.445,1371 0.289,1372 7.644,1373 11.363,1374 7.385,1375 6.221,1376 12.007,1377 7.814,1378 10.804,1379 0.284,1380 0.155,1381 10.804,1382 5.883,1383 9.162,1384 0.18,1385 0.079,1386 9.162,1387 4.016,1388 7.261,1389 0.11,1390 0.041,1391 7.261,1392 2.693,1393 5.981,1394 0.071,1395 0.022,1396 5.981,1397 1.837,1398 0.352,1399 76.502,1400 0.239,1401 24.288,1402 0.615,1403 130,1404 417.163,1405 147.045,1406 396.923,1407 538.95,1408 370,1409 154,1410 399.129,1411 171.329,1412 403.075,1413 585.69,1414 375,1415 5.921}
{0 CHEMBL1085028,1 1.554,2 12.871,3 4.06,4 16.486,5 117.097,6 7.695,7 0.647,8 4.092,9 4.207,10 3.692,11 3.619,12 5.253,13 3.616,14 4.592,15 4.76,16 4.057,17 3.992,18 5.757,19 3.975,20 4.788,21 4.954,22 4.123,23 4.128,24 5.94,25 4.094,26 4.93,27 5.131,28 4.052,29 4.113,30 6.082,31 4.064,32 4.826,33 5.034,34 4,35 4.093,36 5.947,37 4.031,38 4.82,39 5.026,40 3.942,41 4.104,42 5.902,43 4.019,44 4.826,45 5.064,46 3.845,47 4.06,48 5.786,49 3.948,50 4.718,51 4.954,52 3.742,53 3.906,54 5.742,55 3.811,56 0.033,57 0.794,58 10.218,59 4.566,60 7.032,61 5.8,62 0.457,63 1.259,64 19.496,65 7.195,66 28.568,67 9.572,68 0.198,69 1.461,70 23.675,71 9.346,72 28.23,73 12.025,74 0.612,75 1.58,76 30.869,77 10.1,78 71.25,79 12.834,80 0.319,81 1.476,82 26.694,83 9.697,84 47.251,85 12.942,86 0.391,87 1.458,88 26.356,89 10.032,90 45.505,91 13.436,92 0.279,93 1.42,94 27.751,95 10.909,96 36.328,97 15.174,98 0.377,99 1.249,100 25.565,101 9.339,102 44.366,103 12.676,104 29,105 48,106 0.254,107 0.551,108 0.662,109 0.793,110 0.823,111 0.823,112 3.472,113 0.874,114 -4.35,115 -4.29,116 -4.05,121 44.4,126 3,144 12,145 2,146 1,148 1,153 1,155 1,160 1,161 1,163 1,176 12,179 3,180 5,182 1,183 2,185 2,187 11,189 2,192 6,197 3,200 5,203 3,205 1,206 11,211 3,213 1,214 2,216 3,219 10,224 2,227 7,232 5,234 2,237 2,239 11,241 1,243 1,244 2,249 2,251 10,253 2,256 3,258 2,264 7,266 2,268 2,269 4,272 1,277 9,279 1,281 1668,282 20.775,283 20.775,284 20.775,285 20.775,286 20.775,287 17.939,288 18.063,289 12.152,290 21.217,291 16.745,292 16.745,293 16.745,294 16.745,295 16.745,296 12.417,297 20.771,298 5.753,299 17.447,300 4.201,301 2.378,302 1.695,303 0.894,304 0.709,305 0.709,306 4.165,311 1,312 1,313 854,314 3.873,317 69.076,318 293.722,321 134.619,325 2.254,326 25.315,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 67,338 399,339 4.71,340 3.762,341 6.886,342 4.216,343 3.281,344 4.673,345 2.208,346 11.489,347 3.075,348 4.19,349 3.581,350 6.226,351 3.831,352 2.843,353 3.768,354 1.058,355 9.211,356 2.816,357 4.104,358 3.292,359 6.01,360 3.706,361 2.754,362 3.666,363 0.655,364 8.51,365 2.626,366 3.923,367 2.791,368 5.815,369 3.581,370 2.624,371 3.301,372 0.13,373 7.887,374 2.466,375 3.693,376 2.589,377 5.541,378 3.281,379 2.331,380 3.015,382 6.987,383 2.206,384 3.453,385 2.234,386 5.221,387 3.047,388 2.094,389 2.763,391 6.328,392 1.99,393 3.23,394 2.16,395 4.636,396 2.75,397 1.75,398 2.491,400 4.411,401 1.742,402 3.02,403 1.977,404 4.405,405 2.514,406 1.538,407 2.268,409 4.147,410 1.498,411 2.769,412 1.563,413 4.111,414 2.296,415 1.353,416 1.879,418 3.585,419 1.271,420 2.576,421 1.455,422 3.612,423 2.097,424 1.119,425 1.562,427 2.64,428 1.088,429 2.5,430 1.323,431 3.5,432 2,433 1.022,434 1.5,436 2.389,437 1,438 2.5,439 1.104,440 3.429,441 2,442 1,443 1.5,445 2.275,446 1,447 2.344,448 1,449 3.414,450 1.99,451 1,452 1.253,454 2.142,455 0.972,456 2.296,457 1,458 3.247,459 1.845,460 0.859,461 1.179,463 2.136,464 0.841,465 1.406,466 0.732,467 2.801,468 1.029,469 0.059,470 0.074,472 0.144,473 0.056,474 14.6,475 0.471,476 0.822,477 0.027,478 43.75,479 1.411,480 23,481 0.742,482 20.75,483 0.669,484 22.398,485 0.723,486 32.5,487 0.602,488 36.16,489 1.166,490 9.109,491 0.294,492 5.826,493 0.188,494 0.148,496 0.356,501 0.774,502 1.446,503 0.742,504 1.115,505 0.579,506 0.95,507 0.664,508 0.877,509 0.773,510 0.786,511 0.491,512 0.78,513 1.063,514 1.302,515 0.972,516 1.176,517 0.81,518 1.075,519 1.615,520 0.974,521 1.178,522 0.889,523 1.502,524 0.951,525 1.063,526 1.052,527 0.998,528 0.983,529 1.148,530 0.972,531 0.893,532 0.999,533 1.072,534 1.04,535 1.048,536 1.076,537 0.594,538 1.007,539 0.888,540 1.054,541 0.542,542 1.029,543 0.936,544 0.883,545 0.941,546 0.932,547 0.896,548 0.942,549 6,550 0.177,551 4,552 2.264,553 1.917,554 1.209,555 0.612,556 0.496,557 0.42,558 0.243,559 13279,560 36239,561 2.065,562 42.6,564 21,565 1,567 1,572 1.736,573 1.918,574 3.635,575 -0.361,577 1,582 83.928,583 1.554,584 3.377,585 4.06,586 4.861,587 5.046,588 5.046,589 3.127,590 4.414,591 4.919,592 3.821,593 1776.76,594 8.591,595 25540.6,597 1,599 1,600 310.764,601 1.462,602 4.877,603 0.176,604 0.007,605 0.083,606 0.045,607 0.043,608 0.027,609 0.015,610 0.013,611 0.013,612 0.008,613 0.431,614 0.17,615 1,616 1.064,617 162.196,618 -0.033,619 -0.291,620 0.062,621 -0.121,622 -0.071,623 -0.034,624 0.273,625 0.261,626 0.128,627 0.162,628 0.133,629 0.129,630 -0.092,631 -0.248,632 -0.064,633 -0.194,634 0.011,635 -0.135,636 -0.243,637 0.037,638 -0.163,639 0.052,640 -0.176,641 -0.03,642 -0.127,643 -0.031,644 -0.041,645 -0.011,646 -0.049,647 -0.007,648 -0.031,649 0.012,650 -0.13,651 -0.052,652 -0.103,653 -0.098,654 0.078,655 -0.068,656 0.076,657 -0.036,658 0.026,659 0.01,660 0.008,661 0.058,662 0.062,663 0.062,664 -0.003,665 0.067,666 2.091,667 5.617,668 0.677,669 37.259,670 1.005,671 1.122,672 3.125,673 9.763,674 0.678,675 3.555,676 3.892,677 4.174,678 4.419,679 4.663,680 4.754,681 4.934,682 5.094,683 5.193,684 5.273,685 7.479,686 0.652,687 415.51,688 3.555,689 5.106,690 5.964,691 6.845,692 7.724,693 8.612,694 9.501,695 10.396,696 11.292,697 12.192,698 7.4,705 2,706 1,708 1,714 1,715 13,720 5,721 1,722 22,729 1,737 1,741 54,743 24,744 2,745 34,747 57,748 24,749 19,750 3,751 9,752 1,756 4,757 5,772 21,773 3,777 2,782 2,786 2,790 1,793 23,794 5,795 1,796 7,799 1,802 4,803 1,808 0.75,809 3,822 1,828 1,829 3,832 1,859 3,864 3,868 31,877 1,878 1,881 1,893 5.6,896 2,898 1,901 16.167,902 10.733,903 6.778,904 3.047,907 4.174,908 1.525,909 0.997,910 5.957,911 12.122,912 3.871,913 4.503,914 5.123,915 5.73,916 6.301,917 6.645,918 7.133,919 7.596,920 7.946,921 8.33,922 0.889,923 50,924 11.419,926 4.805,927 0.026,929 7.801,931 21.555,933 17.262,936 2.301,937 71.333,939 1,940 1,941 258.964,942 177.833,943 24.321,945 61.29,948 177.833,949 320.254,950 24.321,951 25.189,952 21.135,953 122.762,954 58.609,955 28.986,956 18.534,957 247.193,959 258.964,960 202.154,961 61.29,964 258.964,965 61.29,968 29.222,969 171.033,970 1.899,972 258.964,973 85.61,974 177.833,977 258.964,978 29.882,979 154.261,980 18.011,981 61.29,982 258.964,983 85.61,984 177.833,986 0.587,987 0.346,988 0.176,989 0.097,990 23,991 11,992 0.088,993 5,994 1,995 1.095,996 4.209,997 279.837,998 0.095,999 21,1000 143.58,1005 20.941,1006 8.819,1007 4.417,1008 0.92,1009 82.425,1010 24.145,1015 3.65,1016 2.041,1017 18.011,1018 522.408,1019 47,1024 24.345,1028 -0.593,1031 54.283,1032 60.566,1034 0.27,1035 0.587,1036 0.705,1037 0.845,1038 0.877,1039 0.877,1040 5.103,1041 1.538,1042 5.958,1043 4.411,1044 4.575,1045 5.19,1046 2.519,1047 6.783,1048 4.493,1049 6.328,1050 1.353,1051 7.532,1052 4.147,1053 4.205,1054 5.027,1055 1.847,1056 7.719,1057 4.055,1058 7.645,1059 1.119,1060 9.207,1061 3.585,1062 6.184,1063 7.437,1064 3.599,1065 10.832,1066 6.008,1067 8.999,1068 1.022,1069 10.941,1070 2.64,1071 6.635,1072 8.124,1073 3.656,1074 12.608,1075 6.382,1076 10.387,1077 1,1078 12.712,1079 2.389,1080 8.095,1081 10.009,1082 4.975,1083 15.249,1084 7.815,1085 11.799,1086 1,1087 14.51,1088 2.275,1089 8.916,1090 11.114,1091 5.37,1092 17.382,1093 8.56,1094 13.231,1095 0.859,1096 16.326,1097 2.142,1098 10.175,1099 12.783,1100 6.463,1101 19.872,1102 9.784,1103 3.281,1104 0.059,1105 18.157,1106 2.136,1107 11.172,1108 14.105,1109 7.028,1110 22.166,1111 10.706,1112 2.843,1113 11.489,1114 20.001,1115 0.144,1116 12.356,1117 15.684,1118 7.995,1119 24.609,1120 11.845,1121 2.754,1122 9.211,1123 21.854,1124 4.673,1125 13.437,1126 17.115,1127 8.654,1128 26.979,1129 12.854,1130 2.624,1131 8.51,1132 23.715,1133 3.768,1134 14.598,1135 18.661,1136 9.55,1137 29.411,1138 13.96,1139 2.331,1140 7.887,1141 25.584,1142 3.666,1143 15.722,1144 20.146,1145 10.263,1146 31.815,1147 15.013,1148 2.094,1149 6.987,1150 27.459,1151 3.301,1152 16.88,1153 21.682,1154 11.116,1155 34.247,1156 16.11,1157 1.75,1158 6.328,1159 29.341,1160 3.015,1161 18.027,1162 23.194,1163 11.862,1164 36.669,1165 17.186,1166 12784,1167 21245,1168 22.482,1169 36.62,1170 51.955,1171 53.648,1172 53.049,1173 51.333,1174 51.255,1175 69.785,1176 8.102,1177 148.56,1178 49.295,1179 5.537,1180 5.762,1181 6.688,1182 5.284,1183 5.281,1184 7.673,1185 3.912,1186 19.019,1187 5.075,1188 16.77,1189 1.528,1190 1.578,1191 1.56,1192 1.51,1193 1.507,1194 2.052,1195 0.238,1196 4.369,1197 1.45,1198 4.189,1199 4.238,1200 4.159,1201 4.037,1202 7.434,1203 4.06,1204 3.91,1205 3.936,1206 3.852,1207 3.843,1208 7.428,1209 3.84,1210 3.867,1211 3.891,1212 3.814,1213 3.777,1214 4.998,1215 3.781,1216 3.617,1217 3.682,1218 3.531,1219 3.354,1220 4.776,1221 3.386,1222 3.469,1223 3.532,1224 3.383,1225 3.289,1226 4.725,1227 3.303,1228 3.284,1229 3.322,1230 3.206,1231 3.091,1232 4.34,1233 3.117,1234 3.09,1235 3.168,1236 2.935,1237 2.879,1238 4.219,1239 2.878,1240 3.011,1241 3.032,1242 2.885,1243 2.738,1244 4.014,1245 2.77,1246 0.139,1247 0.111,1248 0.203,1249 0.124,1250 0.096,1251 4.71,1252 0.137,1253 3.762,1254 0.065,1255 6.886,1256 0.338,1257 4.216,1258 0.09,1259 3.281,1260 4.673,1261 2.208,1262 11.489,1263 3.075,1264 1.937,1265 1.902,1266 2.032,1267 2.101,1268 1.136,1269 2.077,1270 1.915,1271 1.893,1272 2.01,1273 2.014,1274 1.117,1275 2.012,1276 1.875,1277 1.842,1278 1.983,1279 1.972,1280 1.064,1281 1.981,1282 1.537,1283 1.478,1284 1.785,1285 1.826,1286 0.836,1287 1.811,1288 1.476,1289 1.402,1290 1.692,1291 1.703,1292 0.781,1293 1.704,1294 1.186,1295 1.155,1296 1.417,1297 1.444,1298 0.469,1299 1.41,1300 1.126,1301 1.052,1302 1.385,1303 1.338,1304 0.459,1305 1.354,1306 0.934,1307 0.85,1308 1.317,1309 1.239,1310 0.323,1311 1.308,1312 4.234,1314 5.565,1315 2.398,1316 7.088,1317 4.844,1318 8.694,1319 7.05,1320 10.344,1322 5.239,1329 2.983,1330 5.288,1333 1.375,1340 35.235,1341 83.928,1342 182.354,1343 219.215,1344 262.499,1345 272.499,1346 272.499,1347 49.92,1348 7.948,1349 66.93,1350 66.93,1351 23,1352 12.715,1353 4.644,1354 3.807,1355 49.532,1356 138,1357 140,1358 0.176,1359 216.914,1360 370.73,1361 521.03,1362 32673,1364 21.957,1365 0.708,1366 0.569,1367 21.957,1368 17.625,1369 14.936,1370 0.439,1371 0.291,1372 9.738,1373 14.321,1374 9.427,1375 7.917,1376 14.936,1377 9.905,1378 13.626,1379 0.284,1380 0.155,1381 13.626,1382 7.441,1383 11.632,1384 0.182,1385 0.079,1386 11.632,1387 5.087,1388 9.198,1389 0.112,1390 0.041,1391 9.198,1392 3.395,1393 7.595,1394 0.072,1395 0.022,1396 7.595,1397 2.321,1398 0.279,1399 93.896,1400 0.211,1401 29.333,1402 0.475,1403 164,1404 485.163,1405 182.043,1406 469.206,1407 645.59,1408 438,1409 194,1410 486.32,1411 212.825,1412 492.825,1413 719.25,1414 461,1415 6.699}
{0 CHEMBL1085029,1 1.631,2 11.481,3 2.392,4 5.721,5 100.498,6 7.52,7 0.552,8 3.997,9 4.125,10 3.566,11 3.435,12 5.155,13 3.446,14 4.505,15 4.699,16 3.929,17 3.804,18 5.68,19 3.797,20 4.662,21 4.833,22 3.987,23 3.957,24 5.818,25 3.935,26 4.827,27 5.031,28 3.922,29 3.983,30 5.966,31 3.935,32 4.73,33 4.947,34 3.872,35 3.967,36 5.812,37 3.9,38 4.739,39 4.959,40 3.776,41 3.947,42 5.809,43 3.852,44 4.725,45 4.988,46 3.57,47 3.832,48 5.646,49 3.693,50 4.541,51 4.807,52 3.418,53 3.554,54 5.557,55 3.457,56 0.069,57 0.752,58 9.999,59 3.756,60 7.195,61 5.241,62 0.58,63 1.125,64 19.382,65 5.946,66 34.062,67 8.632,68 0.282,69 1.28,70 21.834,71 7.637,72 29.603,73 10.482,74 0.706,75 1.362,76 28.547,77 8.45,78 70.695,79 11.571,80 0.327,81 1.317,82 24.68,83 8.391,84 37.168,85 12.127,86 0.451,87 1.287,88 25.208,89 8.713,90 41.892,91 12.441,92 0.341,93 1.161,94 26.312,95 9.193,96 37.374,97 13.596,98 0.454,99 0.918,100 22.85,101 6.683,102 44.961,103 9.904,104 49,105 41,106 0.275,107 0.607,108 0.71,109 0.826,110 0.826,111 0.826,112 3.34,113 0.879,114 -2.87,115 -2.87,116 -2.78,121 38.8,126 4,144 7,145 1,146 1,148 1,153 1,155 1,161 2,163 1,176 6,179 3,180 4,182 1,183 3,184 1,185 1,187 5,189 2,192 4,197 1,200 2,203 3,205 1,206 8,209 1,211 2,213 1,214 1,216 3,219 7,224 2,227 4,232 3,234 2,237 3,238 1,239 6,243 1,244 1,249 3,251 4,256 3,258 2,261 2,268 2,269 4,272 1,274 2,281 1160,282 17.87,283 17.87,284 17.87,285 17.87,286 17.87,287 15.722,288 19.104,289 10.326,290 18.4,291 14.195,292 14.195,293 14.195,294 14.195,295 14.195,296 10.793,297 20.909,298 4.802,299 14.985,300 3.983,301 2.014,302 1.401,303 0.715,304 0.715,305 0.715,306 4.017,310 1,311 1,312 1,313 644,314 3.937,317 59.414,318 164.881,321 116.87,325 1.907,326 22.89,328 1,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 59.5,338 310,339 4.709,340 3.762,341 6.886,342 4.214,343 3.279,344 4.673,345 2.208,346 11.486,347 3.072,348 4.149,349 3.552,350 6.207,351 3.745,352 2.793,353 3.758,354 1.656,355 9.138,356 2.661,357 3.945,358 3.289,359 5.816,360 3.615,361 2.678,362 3.325,363 0.655,364 7.897,365 2.481,366 3.754,367 2.789,368 5.588,369 3.381,370 2.421,371 3.04,372 0.247,373 7.195,374 2.312,375 3.559,376 2.585,377 5.228,378 3.174,379 2.213,380 2.812,381 0.13,382 6.365,383 2.115,384 3.381,385 2.214,386 4.967,387 2.95,388 1.994,389 2.638,391 5.605,392 1.896,393 3.02,394 1.977,395 4.554,396 2.514,397 1.538,398 2.268,400 4.205,401 1.498,402 2.758,403 1.563,404 4.27,405 2.279,406 1.337,407 1.863,409 3.732,410 1.255,411 2.5,412 1.455,413 3.609,414 2.014,415 1.067,416 1.5,418 2.496,419 1,420 2.368,421 1.12,422 3.493,423 2,424 1,425 1.315,427 2.278,428 0.995,429 2.301,430 1.08,431 3.414,432 1.899,433 0.934,434 1.191,436 2.275,437 0.894,438 1.519,439 1,440 2.912,441 1.317,442 0.385,443 0.417,445 0.608,446 0.357,447 1.391,448 0.73,449 2.682,450 0.999,451 0.026,452 0.033,454 0.056,455 0.025,456 1.223,457 0.433,458 2.395,459 0.79,460 -0.192,461 -0.251,463 -0.453,464 -0.186,465 0.837,466 -0.099,467 2.3,468 0.444,469 -0.522,470 -0.671,472 -1.283,473 -0.498,474 12.5,475 0.463,476 0.771,477 0.029,478 35.75,479 1.324,480 17,481 0.63,482 18.75,483 0.694,484 19.827,485 0.734,486 29.8,487 0.608,488 29.448,489 1.091,490 7.594,491 0.281,492 5.307,493 0.197,494 0.213,496 0.376,501 0.838,502 1.686,503 0.776,504 1.259,505 0.594,506 1.033,507 0.647,508 0.76,509 0.741,510 0.682,511 0.455,512 0.702,513 1.113,514 1.312,515 0.978,516 1.182,517 0.867,518 1.07,519 1.542,520 0.902,521 1.204,522 0.868,523 1.476,524 0.965,525 0.859,526 1.14,527 0.963,528 1.084,529 0.852,530 1.042,531 0.814,532 1.032,533 1.101,534 1.147,535 0.942,536 1.174,537 0.569,538 1.068,539 0.895,540 1.162,541 0.54,542 1.111,543 1.037,544 0.849,545 0.945,546 0.894,547 0.969,548 0.904,549 6,550 0.185,551 3.556,552 2.076,553 1.806,554 1.056,555 0.671,556 0.443,557 0.271,558 0.19,559 8370,560 24563,561 1.992,562 44.9,564 19,565 1,567 2,572 1.7,573 1.82,574 3.472,575 0.304,576 1,577 1,582 79.938,583 1.631,584 3.601,585 4.213,586 4.9,587 4.9,588 4.9,589 2.936,590 4.31,591 4.719,592 3.647,593 1279.93,594 8.191,595 16472.4,597 1,599 1,600 275.121,601 1.541,602 4.659,603 0.207,604 0.01,605 0.087,606 0.048,607 0.046,608 0.028,609 0.02,610 0.017,611 0.012,612 0.009,613 0.485,614 0.33,615 1,616 1.493,617 134.439,618 -0.071,619 -0.425,620 0.057,621 -0.189,622 -0.078,623 -0.063,624 0.31,625 0.403,626 0.194,627 0.28,628 0.182,629 0.228,630 -0.147,631 -0.202,632 -0.069,633 -0.144,634 -0.029,635 -0.095,636 -0.268,637 0.11,638 -0.209,639 0.096,640 -0.227,641 -0.031,642 -0.089,643 -0.094,644 -0.04,645 -0.061,646 -0.009,647 -0.039,648 -0.011,649 -0.001,650 -0.172,651 -0.128,652 -0.089,653 -0.174,654 0.098,655 -0.164,656 0.063,657 -0.131,658 0.035,659 -0.057,660 -0.019,661 0.037,662 0.08,663 0.058,664 0.001,665 0.084,666 2.09,667 4.673,668 0.556,669 28.549,670 1.01,671 1.136,672 1.637,673 2.678,674 0.65,675 3.401,676 3.738,677 4.007,678 4.248,679 4.5,680 4.615,681 4.779,682 4.92,683 4.949,684 4.963,685 6.687,686 0.627,687 368.46,688 3.401,689 4.949,690 5.802,691 6.686,692 7.566,693 8.459,694 9.351,695 10.251,696 11.15,697 12.055,698 10.2,705 3,706 1,708 1,714 1,715 8,720 4,721 1,722 16,737 1,741 49,743 18,744 1,745 29,747 51,748 19,749 13,750 2,751 4,756 3,757 4,761 1,772 15,773 4,777 2,782 2,786 2,789 1,790 1,793 22,794 6,795 2,796 8,799 1,802 5,803 1,808 0.667,809 3,822 1,828 1,829 2,832 1,859 2,864 4,868 27,877 2,878 1,881 1,893 6.1,896 2,898 1,901 14.833,902 10.067,903 6,904 2.686,907 3.358,908 1.453,909 0.97,910 5.674,911 10.769,912 3.689,913 4.314,914 4.921,915 5.543,916 6.129,917 6.536,918 7.021,919 7.487,920 7.776,921 8.107,922 0.875,923 43,924 9.916,926 4.085,927 0.026,929 7.877,931 18.584,933 14.503,936 2.377,937 64.167,940 1,941 235.422,942 135.234,943 42.331,945 61.29,948 135.234,949 296.712,950 42.331,951 33.586,952 39.146,953 75.381,954 53.904,955 25.8,956 22.809,957 223.651,959 235.422,960 177.565,961 61.29,964 235.422,965 61.29,968 47.232,969 128.434,970 1.899,972 235.422,973 103.621,974 135.234,977 235.422,978 26.267,979 115.277,980 36.022,981 61.29,982 235.422,983 103.621,984 135.234,986 0.586,987 0.344,988 0.168,989 0.097,990 19,991 10,992 0.078,993 4,994 1,995 1.133,996 3.78,997 226.714,998 0.133,999 15,1000 122.382,1005 19.197,1006 7.981,1007 4.067,1008 0.919,1009 100.436,1010 14.903,1015 3.041,1016 2.024,1017 36.022,1018 474.277,1019 39,1024 23.319,1028 -0.708,1031 49.502,1032 55.649,1034 0.291,1035 0.641,1036 0.75,1037 0.873,1038 0.873,1039 0.873,1040 4.927,1041 1.337,1042 5.808,1043 4.205,1044 4.419,1045 5.001,1046 2.706,1047 6.64,1048 4.312,1049 6.157,1050 1.067,1051 7.39,1052 3.732,1053 4.111,1054 4.934,1055 2.157,1056 7.6,1057 3.933,1058 7.481,1059 1,1060 9.07,1061 2.496,1062 6.038,1063 7.259,1064 3.789,1065 10.705,1066 5.812,1067 8.843,1068 0.934,1069 10.807,1070 2.278,1071 6.524,1072 8.022,1073 3.869,1074 12.496,1075 6.215,1076 10.236,1077 0.385,1078 12.58,1079 2.275,1080 7.955,1081 9.859,1082 5.115,1083 15.146,1084 7.602,1085 11.654,1086 0.026,1087 14.379,1088 0.608,1089 8.798,1090 11.022,1091 5.498,1092 17.297,1093 8.361,1094 13.09,1095 -0.192,1096 16.197,1097 0.056,1098 10.046,1099 12.67,1100 6.552,1101 19.798,1102 9.561,1103 3.279,1104 -0.522,1105 18.031,1106 -0.453,1107 11.059,1108 14.032,1109 7.101,1110 22.107,1111 10.493,1112 2.793,1113 11.486,1114 19.879,1115 -1.283,1116 12.242,1117 15.605,1118 8.048,1119 24.56,1120 11.621,1121 2.678,1122 9.138,1123 21.737,1124 4.673,1125 13.336,1126 17.062,1127 8.696,1128 26.94,1129 12.639,1130 2.421,1131 7.897,1132 23.604,1133 3.758,1134 14.501,1135 18.609,1136 9.58,1137 29.379,1138 13.745,1139 2.213,1140 7.195,1141 25.48,1142 3.325,1143 15.635,1144 20.109,1145 10.287,1146 31.79,1147 14.806,1148 1.994,1149 6.365,1150 27.362,1151 3.04,1152 16.799,1153 21.648,1154 11.134,1155 34.226,1156 15.908,1157 1.538,1158 5.605,1159 29.25,1160 2.812,1161 17.954,1162 23.169,1163 11.875,1164 36.652,1165 16.993,1166 8396,1167 14485,1168 18.611,1169 31.864,1170 43.744,1171 45.713,1172 46.026,1173 43.368,1174 43.33,1175 57.666,1176 9.792,1177 126.672,1178 41.122,1179 5.533,1180 5.762,1181 6.44,1182 5.28,1183 5.279,1184 7.673,1185 3.912,1186 19.011,1187 5.072,1188 16.851,1189 1.508,1190 1.576,1191 1.587,1192 1.495,1193 1.494,1194 1.988,1195 0.338,1196 4.368,1197 1.418,1198 4.186,1199 4.236,1200 4.156,1201 4.033,1202 7.434,1203 4.057,1204 3.871,1205 3.894,1206 3.82,1207 3.78,1208 7.43,1209 3.784,1210 3.631,1211 3.695,1212 3.554,1213 3.364,1214 4.997,1215 3.398,1216 3.574,1217 3.646,1218 3.488,1219 3.301,1220 4.776,1221 3.331,1222 3.408,1223 3.477,1224 3.296,1225 3.214,1226 4.349,1227 3.234,1228 3.13,1229 3.212,1230 2.975,1231 2.92,1232 4.235,1233 2.92,1234 3.038,1235 3.112,1236 2.898,1237 2.774,1238 4.19,1239 2.79,1240 2.986,1241 3.027,1242 2.766,1243 2.735,1244 4.006,1245 2.715,1246 0.162,1247 0.13,1248 0.237,1249 0.145,1250 0.113,1251 4.709,1252 0.161,1253 3.762,1254 0.076,1255 6.886,1256 0.396,1257 4.214,1258 0.106,1259 3.279,1260 4.673,1261 2.208,1262 11.486,1263 3.072,1264 1.919,1265 1.893,1266 2.012,1267 2.096,1268 1.134,1269 2.07,1270 1.912,1271 1.872,1272 2,1273 2.013,1274 1.111,1275 2.01,1276 1.539,1277 1.481,1278 1.785,1279 1.828,1280 0.836,1281 1.812,1282 1.485,1283 1.409,1284 1.713,1285 1.768,1286 0.783,1287 1.751,1288 1.409,1289 1.331,1290 1.677,1291 1.679,1292 0.686,1293 1.682,1294 1.126,1295 1.053,1296 1.417,1297 1.338,1298 0.469,1299 1.359,1300 0.998,1301 0.921,1302 1.38,1303 1.31,1304 0.459,1305 1.308,1306 0.934,1307 0.836,1308 1.236,1309 1.239,1310 0.23,1311 1.3,1312 4.078,1314 5.407,1315 2.398,1316 6.927,1317 4.844,1318 8.531,1319 7.05,1320 10.184,1322 6.789,1329 5.351,1330 5.252,1333 1.37,1340 30.729,1341 79.938,1342 176.45,1343 206.45,1344 240.101,1345 240.101,1346 240.101,1347 43.731,1348 7.411,1349 78.96,1350 78.96,1351 17,1352 12.575,1353 4.248,1354 3.459,1355 47.096,1356 106,1357 108,1358 0.219,1359 191.922,1360 326.41,1361 460.05,1362 15608,1364 19.552,1365 0.724,1366 0.583,1367 19.552,1368 15.738,1369 12.901,1370 0.445,1371 0.293,1372 8.302,1373 12.199,1374 7.993,1375 6.757,1376 12.901,1377 8.494,1378 11.764,1379 0.287,1380 0.154,1381 11.764,1382 6.325,1383 9.905,1384 0.183,1385 0.079,1386 9.905,1387 4.278,1388 7.508,1389 0.109,1390 0.041,1391 7.508,1392 2.796,1393 6.282,1394 0.071,1395 0.022,1396 6.282,1397 1.934,1398 0.345,1399 82.247,1400 0.232,1401 25.977,1402 0.599,1403 140,1404 443.495,1405 159.597,1406 423.085,1407 576.54,1408 394,1409 165,1410 431.729,1411 184.492,1412 434.935,1413 633.29,1414 405,1415 5.87}
{0 CHEMBL1085030,1 1.566,2 16.647,3 4.401,4 19.37,5 139.098,6 7.765,7 0.486,8 4.193,9 4.305,10 3.795,11 3.78,12 5.296,13 3.746,14 4.722,15 4.885,16 4.144,17 4.158,18 5.801,19 4.105,20 4.955,21 5.144,22 4.195,23 4.304,24 6.029,25 4.209,26 5.036,27 5.261,28 4.169,29 4.259,30 6.124,31 4.146,32 4.96,33 5.188,34 4.054,35 4.14,36 6.028,37 4.028,38 4.864,39 5.091,40 3.949,41 4.067,42 5.987,43 3.932,44 4.8,45 5.044,46 3.845,47 3.961,48 5.815,49 3.812,50 4.686,51 4.923,52 3.882,53 3.854,54 5.791,55 3.739,56 0.021,57 0.838,58 11.651,59 5.553,60 8.141,61 7.045,62 0.291,63 1.395,64 23.562,65 9.016,66 27.112,67 11.712,68 0.328,69 1.674,70 32.375,71 12.88,72 41.511,73 16.245,74 0.354,75 1.777,76 38.593,77 14.154,78 69.588,79 17.971,80 0.466,81 1.634,82 37.02,83 12.691,84 66.082,85 15.698,86 0.444,87 1.508,88 32.878,89 11.913,90 79.959,91 15.001,92 0.365,93 1.399,94 33.062,95 11.621,96 57.981,97 14.539,98 0.376,99 1.296,100 30.172,101 9.617,102 57.86,103 11.917,104 17,105 50,106 0.251,107 0.546,108 0.704,109 0.822,110 0.884,111 0.89,112 3.559,113 0.941,114 -4.36,115 -4.3,116 -4.05,121 44.3,126 1,127 5,144 12,145 6,159 1,160 1,161 1,176 19,180 4,183 1,184 1,185 1,187 23,191 1,192 8,195 1,197 2,200 18,206 8,209 1,211 3,214 11,219 5,222 1,224 3,227 7,231 1,232 4,235 2,237 4,239 3,243 1,244 5,249 3,256 5,259 2,261 5,269 2,274 4,281 2320,282 23.104,283 23.104,284 23.104,285 23.104,286 23.104,287 20.665,288 18.824,289 14.034,290 23.534,291 18.293,292 18.293,293 18.293,294 18.293,295 18.293,296 14.496,297 20.45,298 6.731,299 18.934,300 4.365,301 2.521,302 1.531,303 0.793,304 0.406,305 0.373,306 4.256,312 1,313 1234,314 4.528,317 74.101,318 331.896,321 283.154,325 2.571,326 32.401,329 1,330 0.83,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.85,337 72.5,338 566,339 4.684,340 3.835,341 7.014,342 4.348,343 3.339,344 4.387,345 1.773,346 11.96,347 3.369,348 4.134,349 3.693,350 6.075,351 3.788,352 2.793,353 3.646,354 0.99,355 8.769,356 2.781,357 3.927,358 3.455,359 5.662,360 3.596,361 2.625,362 3.455,363 0.916,364 7.392,365 2.558,366 3.699,367 2.95,368 5.585,369 3.261,370 2.335,371 3.068,372 0.86,373 7.22,374 2.208,375 3.512,376 2.727,377 5.484,378 3.132,379 2.165,380 2.762,381 0.172,382 6.828,383 2.156,384 3.466,385 2.463,386 5.031,387 3.106,388 2.112,389 2.71,390 0.14,391 6.002,392 2.022,393 3.294,394 2.325,395 4.819,396 3.059,397 2.093,398 2.364,400 5.518,401 1.949,402 2.89,403 2.239,404 4.063,405 2.582,406 1.687,407 2.025,409 3.592,410 1.512,411 2.856,412 1.794,413 3.888,414 2.421,415 1.426,416 1.969,418 3.239,419 1.417,420 2.765,421 1.577,422 3.736,423 2.381,424 1.392,425 1.83,427 3.097,428 1.367,429 2.667,430 1.477,431 3.643,432 2.265,433 1.274,434 1.669,436 2.992,437 1.248,438 2.519,439 1.38,440 3.564,441 2.032,442 1.054,443 1.5,445 2.637,446 1.027,447 2.5,448 1.316,449 3.454,450 2,451 1,452 1.489,454 2.136,455 1,456 2.357,457 1.082,458 3.247,459 1.891,460 0.941,461 1.163,463 2.042,464 0.882,465 2.072,466 1,467 3.176,468 1.796,469 0.753,470 1.034,472 1.839,473 0.78,474 16.533,475 0.486,476 0.733,477 0.022,478 43.25,479 1.272,480 22,481 0.647,482 21.25,483 0.625,484 27.888,485 0.82,486 35.667,487 0.585,488 34.993,489 1.029,490 9.032,491 0.266,492 7.493,493 0.22,494 0.121,496 0.296,501 0.751,502 1.172,503 0.688,504 0.919,505 0.564,506 0.905,507 1.018,508 0.937,509 0.813,510 0.847,511 0.631,512 0.883,513 0.966,514 1.019,515 0.981,516 1.013,517 0.873,518 1.023,519 1.005,520 1.043,521 0.937,522 1.022,523 1.041,524 0.977,525 1.36,526 0.947,527 1.036,528 0.942,529 1.229,530 0.928,531 0.997,532 1.008,533 1.067,534 1.037,535 1.025,536 1.04,537 1.004,538 1.055,539 1.082,540 1.048,541 0.922,542 0.97,543 1.172,544 0.977,545 1.06,546 1.004,547 0.979,548 0.88,549 5.5,550 0.167,551 3.333,552 2.861,553 1.337,554 0.983,555 0.602,556 0.333,557 0.339,558 0.151,559 21303,560 54788,561 2.077,562 44.3,564 25,567 2,572 1.75,573 1.962,574 3.971,575 0.147,582 95.501,583 1.566,584 3.41,585 4.4,586 5.138,587 5.525,588 5.558,589 3.4,590 4.852,591 5.06,592 4.202,593 2357.24,594 8.815,595 40494.3,600 361.775,601 1.333,602 5.026,603 0.149,604 0.006,605 0.067,606 0.056,607 0.029,608 0.025,609 0.017,610 0.011,611 0.011,612 0.005,613 0.376,614 0.17,615 0.88,616 0.513,617 189.729,618 -0.034,619 -0.082,620 0.028,621 -0.017,622 -0.043,623 0.014,624 -0.033,625 0.134,626 0.003,627 0.052,628 0.009,629 0.036,630 0.005,631 -0.016,632 -0.062,633 -0.049,634 0.005,635 -0.058,636 0.026,637 -0.068,638 0.062,639 -0.04,640 0.076,641 0.008,642 -0.088,643 0.04,644 0.01,645 0.037,646 -0.062,647 0.036,648 0.1,649 -0.016,650 -0.018,651 -0.039,652 0.113,653 -0.062,654 0.074,655 -0.082,656 0.059,658 0.049,659 0.035,660 0.045,661 0.064,662 0.131,663 0.04,664 0.094,665 0.091,666 2.021,667 5.659,668 0.559,669 45.661,670 0.999,671 1.115,672 3.135,673 9.828,674 0.691,675 3.638,676 3.932,677 4.19,678 4.454,679 4.663,680 4.71,681 4.86,682 4.977,683 4.934,684 4.905,685 9.77,686 0.651,687 473.64,688 3.638,689 5.165,690 6.004,691 6.872,692 7.735,693 8.616,694 9.494,695 10.385,696 11.275,697 12.174,698 4.9,701 1,705 2,715 12,720 6,722 18,727 1,741 61,743 21,744 3,745 37,747 64,748 27,749 18,750 6,751 12,752 2,756 4,757 7,761 1,772 21,773 6,777 3,782 2,783 1,786 3,793 27,794 6,795 2,796 7,797 1,802 3,805 1,808 0.5,809 3,828 1,829 3,832 2,855 1,858 1,859 2,862 1,864 1,868 34,876 5,877 2,878 1,881 1,893 4.9,896 2,897 1,901 17.333,902 11.117,903 7.583,904 3.56,907 3.152,908 1.398,909 0.986,910 8.066,911 11.064,912 3.912,913 4.449,914 5.002,915 5.572,916 6.116,917 6.353,918 6.8,919 7.161,920 7.395,921 7.583,922 0.909,923 51,924 12.603,926 5.318,927 0.026,929 7.755,931 24.031,933 19.451,936 2.255,937 76.667,941 294.278,942 212.041,943 39.146,945 61.29,947 45.192,948 166.849,949 355.567,950 39.146,951 8.396,952 51.523,953 113.715,954 71.128,955 22.238,956 0.285,957 294.278,958 45.192,959 294.278,960 205.995,961 61.29,962 45.192,964 294.278,965 50.29,966 11,968 54.648,969 151.347,971 45.192,972 294.278,973 100.436,974 212.041,977 294.278,978 44.738,979 125.236,980 36.022,981 106.482,982 294.278,983 100.436,984 212.041,986 0.571,987 0.329,988 0.18,989 0.097,990 22,991 10,992 0.141,993 9,994 2,995 1.211,996 4.732,997 293.729,998 0.211,999 19,1000 168.974,1002 1,1005 24.085,1006 11.386,1007 6.103,1009 100.436,1010 22.919,1015 4.617,1017 36.022,1018 606.754,1019 49,1024 25.267,1025 5.228,1028 -0.19,1031 60.967,1032 68.026,1034 0.264,1035 0.575,1036 0.742,1037 0.866,1038 0.932,1039 0.937,1040 5.133,1041 1.687,1042 5.969,1043 5.518,1044 4.615,1045 5.136,1046 2.429,1047 6.76,1048 4.567,1049 6.313,1050 1.426,1051 7.512,1052 3.592,1053 4.111,1054 4.82,1055 1.404,1056 7.642,1057 4.068,1058 7.6,1059 1.392,1060 9.161,1061 3.239,1062 6.176,1063 7.251,1064 2.932,1065 10.791,1066 6.111,1067 8.925,1068 1.274,1069 10.878,1070 3.097,1071 6.538,1072 7.793,1073 2.615,1074 12.599,1075 6.508,1076 10.288,1077 1.054,1078 12.641,1079 2.992,1080 8.053,1081 9.695,1082 3.758,1083 15.279,1084 8.006,1085 11.679,1086 1,1087 14.437,1088 2.637,1089 8.846,1090 10.671,1091 3.838,1092 17.489,1093 8.84,1094 13.094,1095 0.941,1096 16.259,1097 2.136,1098 10.141,1099 12.338,1100 4.753,1101 20.024,1102 10.131,1103 3.339,1104 0.753,1105 18.1,1106 2.042,1107 11.147,1108 13.546,1109 5.046,1110 22.399,1111 11.171,1112 2.793,1113 11.96,1114 19.959,1115 1.839,1116 12.361,1117 15.103,1118 5.824,1119 24.892,1120 12.391,1121 2.625,1122 8.769,1123 21.831,1124 4.387,1125 13.469,1126 16.436,1127 6.233,1128 27.332,1129 13.524,1130 2.335,1131 7.392,1132 23.715,1133 3.646,1134 14.66,1135 17.943,1136 6.93,1137 29.814,1138 14.725,1139 2.165,1140 7.22,1141 25.609,1142 3.455,1143 15.814,1144 19.342,1145 7.405,1146 32.279,1147 15.899,1148 2.112,1149 6.828,1150 27.512,1151 3.068,1152 17.003,1153 20.828,1154 8.054,1155 34.759,1156 17.099,1157 2.093,1158 6.002,1159 29.421,1160 2.762,1161 18.18,1162 22.263,1163 8.567,1164 37.233,1165 18.292,1166 20008,1167 32323,1168 24.849,1169 42.165,1170 55.025,1171 58.202,1172 55.98,1173 54.541,1174 54.527,1175 70.719,1176 9.705,1177 151.726,1178 53.045,1179 5.653,1180 5.835,1181 6.841,1182 5.426,1183 5.339,1184 7.387,1185 3.162,1186 19.189,1187 5.369,1188 15.771,1189 1.487,1190 1.573,1191 1.513,1192 1.474,1193 1.474,1194 1.911,1195 0.262,1196 4.101,1197 1.434,1198 4.102,1199 4.114,1200 4.078,1201 4.059,1202 7.431,1203 4.059,1204 3.925,1205 3.964,1206 3.92,1207 3.855,1208 7.425,1209 3.848,1210 3.762,1211 3.796,1212 3.845,1213 3.678,1214 4.857,1215 3.675,1216 3.685,1217 3.736,1218 3.654,1219 3.507,1220 4.791,1221 3.494,1222 3.571,1223 3.642,1224 3.522,1225 3.404,1226 4.753,1227 3.389,1228 3.386,1229 3.429,1230 3.296,1231 3.196,1232 4.57,1233 3.202,1234 3.22,1235 3.263,1236 3.24,1237 3.083,1238 4.511,1239 3.067,1240 3.133,1241 3.179,1242 3.046,1243 2.959,1244 4.174,1245 2.954,1246 0.127,1247 0.104,1248 0.19,1249 0.118,1250 0.09,1251 4.684,1252 0.119,1253 3.835,1254 0.048,1255 7.014,1256 0.323,1257 4.348,1258 0.091,1259 3.339,1260 4.387,1261 1.773,1262 11.96,1263 3.369,1264 1.939,1265 1.922,1266 2.049,1267 2.017,1268 1.209,1269 2.03,1270 1.915,1271 1.883,1272 2.022,1273 2.001,1274 1.165,1275 2.008,1276 1.845,1277 1.828,1278 1.936,1279 1.931,1280 1.068,1281 1.934,1282 1.626,1283 1.566,1284 1.858,1285 1.866,1286 1.036,1287 1.869,1288 1.524,1289 1.456,1290 1.755,1291 1.758,1292 0.983,1293 1.768,1294 1.304,1295 1.271,1296 1.527,1297 1.554,1298 0.693,1299 1.539,1300 1.169,1301 1.126,1302 1.366,1303 1.414,1304 0.5,1305 1.43,1306 1.116,1307 1.068,1308 1.356,1309 1.299,1310 0.4,1311 1.287,1312 4.317,1314 5.617,1315 2.398,1316 7.107,1317 4.949,1318 8.691,1319 7.222,1320 10.33,1322 2.06,1328 3.256,1329 5.647,1330 5.661,1333 2.202,1340 39.717,1341 95.501,1342 208.021,1343 268.391,1344 313.41,1345 337.02,1346 339.02,1347 68.983,1348 7.912,1349 70.67,1350 102.76,1351 23,1352 12.699,1353 4.459,1354 3.7,1355 57.688,1356 202,1357 196,1358 0.133,1359 248.564,1360 439.72,1361 598.256,1362 37237,1364 23.916,1365 0.703,1366 0.584,1367 24.416,1368 19.86,1369 16.525,1370 0.447,1371 0.314,1372 11.098,1373 15.754,1374 10.787,1375 8.941,1376 16.814,1377 11.611,1378 14.527,1379 0.291,1380 0.172,1381 14.935,1382 8.589,1383 11.954,1384 0.184,1385 0.091,1386 12.217,1387 5.906,1388 10,1389 0.118,1390 0.048,1391 10.288,1392 4.117,1393 7.916,1394 0.075,1395 0.026,1396 8.085,1397 2.723,1398 0.223,1399 105.75,1400 0.201,1401 32.819,1402 0.33,1403 174,1404 500.378,1405 200.699,1406 507.612,1407 679.62,1408 474,1409 202,1410 466.985,1411 223.101,1412 487.147,1413 710.94,1414 457,1415 7.523}
{0 CHEMBL1085031,1 1.6,2 17.278,3 4.287,4 18.378,5 144.537,6 7.963,7 0.462,8 4.228,9 4.335,10 3.846,11 3.813,12 5.366,13 3.785,14 4.754,15 4.91,16 4.2,17 4.188,18 5.877,19 4.144,20 5.005,21 5.183,22 4.3,23 4.355,24 6.155,25 4.279,26 5.096,27 5.305,28 4.3,29 4.305,30 6.305,31 4.224,32 5.025,33 5.236,34 4.18,35 4.2,36 6.255,37 4.115,38 4.9,39 5.113,40 4.033,41 4.133,42 6.061,43 4.011,44 4.879,45 5.113,46 3.961,47 4.041,48 6.031,49 3.904,50 4.746,51 4.984,52 3.932,53 3.911,54 5.851,55 3.797,56 0.04,57 0.86,58 11.405,59 5.704,60 10.39,61 7.02,62 0.323,63 1.43,64 23.452,65 9.247,66 31.109,67 11.669,68 0.38,69 1.744,70 32.971,71 13.358,72 49.349,73 16.408,74 0.464,75 1.853,76 40.22,77 14.659,78 89.754,79 17.94,80 0.71,81 1.711,82 38.936,83 13.204,84 116.969,85 15.709,86 0.5,87 1.564,88 33.006,89 12.257,90 88.544,91 15.161,92 0.574,93 1.506,94 35.079,95 12.383,96 95.467,97 15.481,98 0.421,99 1.363,100 31.71,101 10.361,102 63.471,103 12.875,104 26,105 53,106 0.254,107 0.549,108 0.693,109 0.804,110 0.861,111 0.871,112 3.615,113 0.928,114 -4,115 -3.95,116 -3.75,121 44.4,126 1,127 5,144 12,145 6,159 2,160 1,161 1,176 18,180 6,183 1,184 1,185 1,187 20,191 1,192 12,195 1,197 2,200 15,206 12,209 1,211 3,214 10,218 1,219 7,222 1,224 3,227 10,231 1,232 3,235 2,237 3,239 6,243 2,244 5,247 1,249 3,251 2,256 5,259 2,261 4,269 3,272 1,274 5,281 2708,282 24.311,283 24.311,284 24.311,285 24.311,286 24.311,287 21.78,288 20.115,289 14.675,290 24.717,291 19.25,292 19.25,293 19.25,294 19.25,295 19.25,296 15.24,297 20.867,298 7.015,299 19.836,300 4.377,301 2.516,302 1.609,303 0.907,304 0.552,305 0.488,306 4.31,312 1,313 1347,314 4.583,318 440.611,322 326.432,325 2.651,326 43.946,329 0.75,330 0.83,331 0.67,332 0.7,333 0.5,334 0.83,335 1,336 0.75,337 77.5,338 622,339 4.666,340 3.837,341 6.985,342 4.34,343 3.323,344 4.334,345 1.773,346 11.799,347 3.375,348 4.178,349 3.778,350 6.17,351 3.818,352 2.821,353 3.758,354 0.99,355 9.042,356 2.815,357 3.927,358 3.46,359 5.951,360 3.596,361 2.625,362 3.455,363 0.916,364 8.205,365 2.558,366 3.855,367 3.374,368 5.874,369 3.459,370 2.478,371 3.261,372 0.86,373 7.741,374 2.47,375 3.721,376 2.95,377 5.484,378 3.401,379 2.363,380 2.993,381 0.172,382 7.392,383 2.425,384 3.56,385 2.547,386 5.037,387 3.133,388 2.22,389 2.769,390 0.14,391 6.048,392 2.024,393 3.294,394 2.463,395 4.819,396 3.095,397 2.16,398 2.364,400 5.518,401 1.972,402 3.01,403 2.239,404 4.27,405 2.594,406 1.691,407 2.195,409 3.644,410 1.547,411 2.859,412 2.203,413 4.109,414 2.503,415 1.503,416 1.969,418 3.454,419 1.478,420 2.779,421 1.727,422 3.865,423 2.402,424 1.415,425 1.845,427 3.324,428 1.389,429 2.705,430 1.577,431 3.727,432 2.275,433 1.28,434 1.764,436 3.077,437 1.268,438 2.659,439 1.477,440 3.565,441 2.227,442 1.234,443 1.648,445 2.975,446 1.213,447 2.5,448 1.35,449 3.479,450 2,451 1,452 1.5,454 2.136,455 1,456 2.408,457 1.278,458 3.453,459 1.92,460 0.981,461 1.276,463 2.105,464 0.911,465 2.278,466 1.252,467 3.247,468 1.854,469 0.833,470 1.038,472 1.991,473 0.844,474 17.367,475 0.482,476 0.822,477 0.023,478 46,479 1.278,480 23.5,481 0.653,482 22.5,483 0.625,484 29.927,485 0.831,486 37.833,487 0.601,488 39.58,489 1.099,490 9.638,491 0.268,492 7.797,493 0.217,494 0.134,496 0.311,501 0.704,502 1.167,503 0.67,504 0.921,505 0.544,506 0.897,507 0.942,508 0.946,509 0.796,510 0.857,511 0.618,512 0.88,513 0.94,514 1.029,515 0.947,516 1.02,517 0.854,518 1.006,519 1.119,520 1.045,521 0.919,522 1.017,523 1.174,524 0.945,525 1.384,526 0.906,527 1.042,528 0.9,529 1.278,530 0.896,531 0.926,532 1.021,533 1.078,534 1.054,535 0.905,536 1.067,537 0.813,538 1.054,539 1.062,540 1.056,541 0.724,542 1.001,543 0.968,544 0.979,545 1.017,546 1.009,547 0.775,548 0.891,549 6,550 0.182,551 3.778,552 2.75,553 2.333,554 1.049,555 0.667,556 0.42,557 0.337,558 0.214,559 24157,560 65772,561 2.056,562 42.9,564 25,567 2,572 1.765,573 1.929,574 4.008,575 0.148,582 100.826,583 1.6,584 3.461,585 4.368,586 5.071,587 5.426,588 5.489,589 3.486,590 4.781,591 5.141,592 4.237,593 2669.5,594 8.982,595 47407.6,600 376.569,601 1.389,602 5.102,603 0.154,604 0.006,605 0.071,606 0.048,607 0.044,608 0.023,609 0.017,610 0.012,611 0.01,612 0.007,613 0.393,614 0.33,615 0.88,616 0.539,617 203.795,618 -0.039,619 -0.08,620 0.025,621 -0.017,622 -0.04,623 0.014,624 -0.04,625 0.124,626 0.008,627 0.045,628 0.001,629 0.037,630 -0.001,631 -0.025,632 -0.039,633 -0.055,634 0.01,635 -0.043,636 -0.009,637 -0.072,638 0.084,639 -0.039,640 0.043,641 0.033,642 -0.064,643 0.08,644 0.006,645 0.075,646 0.003,647 0.061,648 0.057,649 -0.021,650 -0.046,651 -0.053,652 0.058,653 -0.082,654 0.189,655 -0.076,656 0.062,657 -0.015,658 0.17,659 0.012,660 0.051,661 0.047,662 0.156,663 0.039,664 0.079,665 0.108,666 2.127,667 5.873,668 0.556,669 50.469,670 1.005,671 1.115,672 2.772,673 7.684,674 0.692,675 3.689,676 3.989,677 4.248,678 4.5,679 4.736,680 4.796,681 4.92,682 5.017,683 5.136,684 5.063,685 9.999,686 0.658,687 501.65,688 3.689,689 5.22,690 6.061,691 6.93,692 7.794,693 8.674,694 9.551,695 10.44,696 11.327,697 12.223,698 4.8,701 1,705 2,715 12,720 6,722 18,727 2,741 63,743 22,744 3,745 39,747 66,748 28,749 18,750 6,751 12,752 3,756 4,757 7,761 1,772 22,773 6,777 4,782 3,783 1,786 4,793 27,794 7,795 2,796 8,797 1,802 3,805 1,808 0.5,809 4,829 4,833 2,855 1,858 1,859 2,862 1,864 1,868 36,876 5,877 2,878 1,881 1,893 6.3,896 3,897 1,901 18.667,902 11.533,903 8.028,904 3.664,907 3.211,908 1.398,909 0.98,910 8.6,911 11.276,912 3.97,913 4.505,914 5.061,915 5.605,916 6.14,917 6.361,918 6.764,919 7.054,920 7.449,921 7.64,922 1,923 57,924 13.398,926 5.738,927 0.026,929 7.87,931 25.184,933 20.344,936 2.37,937 85.333,941 294.278,942 217.175,943 39.146,945 86.435,947 45.192,948 171.983,949 380.712,950 39.146,951 8.396,952 51.523,953 113.715,954 101.406,955 22.238,956 0.285,957 294.278,958 45.192,959 294.278,960 211.129,961 86.435,962 45.192,964 294.278,965 75.435,966 11,968 54.648,969 156.481,971 45.192,972 294.278,973 125.58,974 217.175,977 294.278,978 49.871,979 125.236,980 36.022,981 131.627,982 294.278,983 125.58,984 217.175,986 0.574,987 0.333,988 0.18,989 0.098,990 23,991 11,992 0.136,993 9,994 2,995 1.2,996 4.822,997 320.906,998 0.2,999 20,1000 182.117,1002 1,1005 25.708,1006 12.043,1007 6.451,1009 125.58,1010 21.404,1015 2.732,1017 36.022,1018 637.033,1019 52,1024 38.263,1025 5.21,1028 -0.8,1031 63.294,1032 70.235,1034 0.268,1035 0.579,1036 0.731,1037 0.848,1038 0.908,1039 0.918,1040 5.196,1041 1.691,1042 6.033,1043 5.518,1044 4.673,1045 5.193,1046 2.429,1047 6.832,1048 4.636,1049 6.381,1050 1.503,1051 7.584,1052 3.644,1053 4.205,1054 4.913,1055 1.404,1056 7.73,1057 4.184,1058 7.673,1059 1.415,1060 9.242,1061 3.454,1062 6.244,1063 7.31,1064 2.932,1065 10.875,1066 6.201,1067 9.001,1068 1.28,1069 10.966,1070 3.324,1071 6.621,1072 7.872,1073 2.615,1074 12.646,1075 6.624,1076 10.365,1077 1.234,1078 12.734,1079 3.077,1080 8.118,1081 9.743,1082 3.758,1083 15.331,1084 8.103,1085 11.755,1086 1,1087 14.532,1088 2.975,1089 8.904,1090 10.715,1091 3.838,1092 17.477,1093 8.94,1094 13.168,1095 0.981,1096 16.354,1097 2.136,1098 10.186,1099 12.359,1100 4.753,1101 20.013,1102 10.218,1103 3.323,1104 0.833,1105 18.193,1106 2.105,1107 11.178,1108 13.549,1109 5.046,1110 22.331,1111 11.252,1112 2.821,1113 11.799,1114 20.047,1115 1.991,1116 12.381,1117 15.088,1118 5.824,1119 24.819,1120 12.463,1121 2.625,1122 9.042,1123 21.913,1124 4.334,1125 13.473,1126 16.397,1127 6.233,1128 27.216,1129 13.589,1130 2.478,1131 8.205,1132 23.789,1133 3.758,1134 14.653,1135 17.887,1136 6.93,1137 29.689,1138 14.784,1139 2.363,1140 7.741,1141 25.673,1142 3.455,1143 15.795,1144 19.263,1145 7.405,1146 32.123,1147 15.953,1148 2.22,1149 7.392,1150 27.565,1151 3.261,1152 16.973,1153 20.732,1154 8.054,1155 34.59,1156 17.149,1157 2.16,1158 6.048,1159 29.464,1160 2.993,1161 18.14,1162 22.144,1163 8.567,1164 37.042,1165 18.339,1166 22816,1167 37945,1168 25.948,1169 43.62,1170 58.328,1171 62.334,1172 59.582,1173 57.59,1174 57.528,1175 74.744,1176 9.705,1177 160.971,1178 56.282,1179 5.635,1180 5.837,1181 6.812,1182 5.417,1183 5.323,1184 7.334,1185 3.162,1186 19.799,1187 5.375,1188 18.274,1189 1.496,1190 1.598,1191 1.528,1192 1.477,1193 1.475,1194 1.917,1195 0.249,1196 4.127,1197 1.443,1198 4.084,1199 4.093,1200 4.063,1201 4.027,1202 7.437,1203 4.032,1204 3.925,1205 3.963,1206 3.92,1207 3.855,1208 7.427,1209 3.848,1210 3.805,1211 3.831,1212 3.845,1213 3.739,1214 7.419,1215 3.735,1216 3.694,1217 3.748,1218 3.715,1219 3.513,1220 4.851,1221 3.499,1222 3.58,1223 3.651,1224 3.522,1225 3.408,1226 4.759,1227 3.396,1228 3.411,1229 3.45,1230 3.313,1231 3.216,1232 4.709,1233 3.23,1234 3.228,1235 3.275,1236 3.27,1237 3.098,1238 4.574,1239 3.069,1240 3.189,1241 3.189,1242 3.158,1243 3.021,1244 4.565,1245 3.044,1246 0.12,1247 0.098,1248 0.179,1249 0.111,1250 0.085,1251 4.666,1252 0.111,1253 3.837,1254 0.045,1255 6.985,1256 0.303,1257 4.34,1258 0.087,1259 3.323,1260 4.334,1261 1.773,1262 11.799,1263 3.375,1264 2.039,1265 2.031,1266 2.099,1267 2.109,1268 1.237,1269 2.104,1270 1.915,1271 1.883,1272 2.049,1273 2.017,1274 1.209,1275 2.03,1276 1.795,1277 1.772,1278 1.902,1279 1.895,1280 1.068,1281 1.897,1282 1.625,1283 1.565,1284 1.858,1285 1.857,1286 1,1287 1.863,1288 1.524,1289 1.456,1290 1.755,1291 1.755,1292 0.981,1293 1.767,1294 1.325,1295 1.293,1296 1.527,1297 1.563,1298 0.693,1299 1.547,1300 1.184,1301 1.134,1302 1.399,1303 1.424,1304 0.5,1305 1.441,1306 1.108,1307 1.09,1308 1.358,1309 1.297,1310 0.436,1311 1.286,1312 4.369,1314 5.673,1316 7.177,1318 8.783,1320 10.453,1322 2.044,1328 3.1,1329 5.548,1330 5.649,1333 2.184,1340 41.432,1341 100.826,1342 218.059,1343 275.185,1344 319.449,1345 341.814,1346 345.814,1347 90.522,1348 8.065,1349 87.74,1350 119.83,1351 24,1352 12.75,1353 4.524,1354 3.807,1355 62.962,1356 218,1357 222,1358 0.135,1359 259.225,1360 463.17,1361 624.269,1362 44891,1364 25.493,1365 0.708,1366 0.577,1367 25.993,1368 20.769,1369 17.436,1370 0.447,1371 0.309,1372 11.538,1373 16.601,1374 11.226,1375 9.297,1376 17.724,1377 12.065,1378 15.386,1379 0.29,1380 0.168,1381 15.794,1382 8.918,1383 12.755,1384 0.185,1385 0.088,1386 13.017,1387 6.105,1388 10.56,1389 0.119,1390 0.047,1391 10.848,1392 4.188,1393 8.418,1394 0.074,1395 0.025,1396 8.586,1397 2.798,1398 0.226,1399 111.791,1400 0.196,1401 34.264,1402 0.337,1403 184,1404 564.113,1405 212.803,1406 565.349,1407 749.74,1408 526,1409 214,1410 510.621,1411 237.426,1412 530.136,1413 774.57,1414 497,1415 8.222}
{0 CHEMBL1085032,1 1.562,2 13.417,3 2.825,4 7.982,5 102.536,6 7.178,7 0.48,8 3.933,9 4.071,10 3.462,11 3.435,12 4.969,13 3.389,14 4.455,15 4.658,16 3.731,17 3.75,18 5.432,19 3.674,20 4.654,21 4.889,22 3.676,23 3.88,24 5.532,25 3.73,26 4.695,27 4.973,28 3.64,29 3.825,30 5.501,31 3.643,32 4.631,33 4.898,34 3.608,35 3.759,36 5.497,37 3.591,38 4.535,39 4.797,40 3.439,41 3.711,42 5.351,43 3.528,44 4.541,45 4.823,46 3.285,47 3.608,48 5.328,49 3.409,50 4.391,51 4.678,52 3.202,53 3.436,54 5.178,55 3.268,56 0.043,57 0.704,58 10.72,59 4.188,60 7.868,61 5.888,62 0.283,63 1.078,64 20.829,65 6.263,66 24.419,67 9.199,68 0.346,69 1.226,70 26.897,71 8.909,72 29.227,73 12.276,74 0.249,75 1.22,76 29.681,77 9.594,78 29.867,79 13.293,80 0.374,81 1.122,82 29.566,83 8.861,84 36.561,85 11.757,86 0.215,87 1.043,88 24.548,89 8.415,90 24.544,91 11.388,92 0.259,93 0.975,94 25.607,95 8.403,96 29.114,97 11.391,98 0.253,99 0.839,100 22.16,101 6.683,102 25.247,103 9.321,104 5,105 30,106 0.269,107 0.579,108 0.751,109 0.844,110 0.88,111 0.88,112 3.226,113 1.009,114 -3.31,115 -3.3,116 -3.16,121 37.5,126 1,127 5,144 8,145 1,147 1,149 1,161 1,176 8,180 3,183 1,184 1,185 1,187 7,191 1,192 3,195 1,197 1,200 3,206 2,209 1,211 2,219 2,222 1,224 1,232 2,235 1,237 1,243 1,244 3,256 2,259 1,261 1,269 1,274 2,281 884,282 16.38,283 16.38,284 16.38,285 16.38,286 16.38,287 14.723,288 19.5,289 10.544,290 16.929,291 12.416,292 12.416,293 12.416,294 12.416,295 12.416,296 10.062,297 25.805,298 5.134,299 13.287,300 4.023,301 2.222,302 1.224,303 0.682,304 0.474,305 0.474,306 3.896,310 1,311 1,312 1,313 670,314 3.873,318 198.943,325 2.083,326 13.452,328 1,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 51,338 322,339 3.963,340 3.785,341 5.484,342 3.596,343 2.627,344 3.476,345 1.762,346 7.392,347 2.558,348 3.927,349 2.95,350 5.484,351 3.54,352 2.624,353 3.455,354 0.916,355 7.391,356 2.411,357 3.537,358 2.556,359 4.822,360 3.108,361 2.18,362 2.759,363 0.86,364 5.528,365 2.022,366 3.294,367 2.463,368 4.815,369 3.054,370 2.147,371 2.364,372 0.247,373 5.508,374 1.919,375 2.875,376 2.239,377 3.763,378 2.578,379 1.683,380 2.013,381 0.172,382 3.457,383 1.509,384 2.85,385 1.578,386 3.594,387 2.42,388 1.436,389 1.966,391 3.05,392 1.411,393 2.669,394 1.529,395 3.546,396 2.346,397 1.388,398 1.67,400 2.968,401 1.31,402 2.5,403 1.475,404 3.247,405 2,406 1,407 1.5,409 2.136,410 1,411 2.5,412 1,413 3.247,414 1.959,415 1,416 1.5,418 2.136,419 0.956,420 2.074,421 1,422 3.183,423 1.919,424 1,425 1.046,427 2.101,428 0.91,429 1.365,430 0.847,431 2.783,432 1.199,433 0.297,434 0.309,436 0.66,437 0.266,438 1.176,439 0.49,440 2.466,441 0.806,442 -0.139,443 -0.16,445 -0.34,446 -0.129,447 1.015,448 0.174,449 2.08,450 0.675,451 -0.243,452 -0.293,454 -0.556,455 -0.222,456 0.581,457 -0.123,458 1.698,459 0.294,460 -0.596,461 -0.657,463 -1.266,464 -0.523,465 0.5,466 -0.44,467 1.555,469 -1,470 -1.195,472 -2.247,473 -0.877,474 11.767,475 0.49,476 0.349,477 0.015,478 28.75,479 1.198,480 13.5,481 0.563,482 15.25,483 0.635,484 18.029,485 0.751,486 26.633,487 0.555,488 19.23,489 0.801,490 6.177,491 0.257,492 5.561,493 0.232,494 0.113,496 0.161,501 1.012,502 1.446,503 0.751,504 1.045,505 0.833,506 1.042,507 1.5,508 1.069,509 0.9,510 0.913,511 0.995,512 0.981,513 1.174,514 1.063,515 1.089,516 1.032,517 1.15,518 1.097,519 0.852,520 1.033,521 0.931,522 1.016,523 0.784,524 0.975,525 1.402,526 0.885,527 1.115,528 0.964,529 1.173,530 0.907,531 0.985,532 0.975,533 1.057,534 1.068,535 1.022,536 1.087,537 1.026,538 0.972,539 1.038,540 1.058,541 1.019,542 1.023,543 1.262,544 0.833,545 0.941,546 0.901,547 1.067,548 0.87,549 3.5,550 0.091,551 1.111,552 1,553 0.702,554 0.292,555 0.242,556 0.087,557 0.115,558 0.031,559 7957,560 20282,561 2.02,562 50,564 21,566 1,567 2,572 1.657,573 1.946,574 3.713,575 0.296,576 1,577 1,582 74.98,583 1.562,584 3.363,585 4.361,586 4.903,587 5.111,588 5.111,589 3.085,590 3.085,591 4.561,592 3.894,593 1074.81,594 7.805,595 14502.1,597 1,599 1,600 268.078,601 1.041,602 4.543,603 0.14,604 0.006,605 0.037,606 0.037,607 0.029,608 0.013,609 0.012,610 0.005,611 0.007,612 0.002,613 0.289,614 0.33,615 1,616 0.49,617 120.616,618 -0.026,619 -0.253,620 0.029,621 -0.097,622 -0.026,623 -0.043,624 -0.092,625 0.027,626 -0.032,627 -0.023,628 0.008,629 -0.048,630 -0.016,631 -0.044,632 -0.132,633 -0.07,634 -0.132,635 -0.132,636 0.068,637 -0.094,638 0.079,639 -0.03,640 0.148,641 0.006,642 -0.052,643 0.076,644 0.005,645 0.058,646 0.005,647 0.053,648 -0.033,649 -0.011,650 -0.075,651 -0.081,652 -0.073,653 -0.103,654 0.061,655 -0.08,656 -0.036,657 -0.082,658 0.019,659 -0.048,660 -0.008,661 0.058,662 0.047,663 0.034,664 -0.005,665 0.081,666 1.113,667 2.135,668 0.5,669 24.639,670 0.993,671 1.131,672 2.083,673 4.338,674 0.661,675 3.258,676 3.434,677 3.526,678 3.664,679 3.738,680 3.497,681 3.466,682 3.434,683 3.296,684 3.219,685 7.975,686 0.609,687 344.53,688 3.258,689 4.71,690 5.468,691 6.26,692 7.029,693 7.824,694 8.598,695 9.395,696 10.17,697 10.967,698 8.3,701 1,705 2,708 1,715 9,716 1,720 2,722 12,741 48,743 13,744 1,745 25,747 49,748 18,749 11,750 1,751 5,756 2,757 2,761 1,772 12,773 6,777 1,783 1,786 1,789 1,790 1,793 24,794 5,795 2,796 6,797 1,802 4,808 1,809 1,822 1,829 2,855 1,858 1,859 2,862 1,864 1,868 24,876 5,877 2,878 1,881 1,893 2.1,897 1,901 12.333,902 8.483,903 5.583,904 2.69,907 1.735,908 1.276,909 0.94,910 8.523,911 8.019,912 3.497,913 3.912,914 4.27,915 4.703,916 5.102,917 4.695,918 4.775,919 4.888,920 4.479,921 4.444,922 0.889,923 27,924 8.813,926 3.414,927 0.026,929 7.569,931 17.083,933 12.883,936 2.069,937 49.667,940 1,941 258.964,942 159.746,943 55.931,945 11,947 45.192,948 114.554,949 269.964,950 55.931,951 8.396,952 51.523,953 75.81,954 39.557,955 15.357,956 2.612,957 247.193,958 45.192,959 258.964,960 170.485,961 11,962 45.192,964 258.964,966 11,968 63.695,969 90.004,970 16.786,971 45.192,972 258.964,973 66.931,974 159.746,977 258.964,978 21.3,979 96.378,980 36.022,981 72.977,982 258.964,983 66.931,984 159.746,986 0.544,987 0.288,988 0.153,989 0.08,990 10,991 4,992 0.184,993 9,995 1,996 3.939,997 159.92,999 12,1000 106.039,1002 1,1005 18.648,1006 10.969,1007 8.126,1009 66.931,1010 17.797,1011 4.155,1015 2.047,1017 36.022,1018 485.641,1019 32,1025 5.202,1028 0.554,1031 47.647,1032 54.275,1034 0.28,1035 0.602,1036 0.781,1037 0.878,1038 0.915,1039 0.915,1040 4.644,1041 1,1042 5.352,1043 2.968,1044 4.111,1045 4.595,1046 2.243,1047 5.943,1048 3.985,1049 5.748,1050 1,1051 6.763,1052 2.136,1053 3.219,1054 3.829,1055 1.404,1056 6.293,1057 2.977,1058 6.956,1059 1,1060 8.264,1061 2.136,1062 5.485,1063 6.518,1064 2.792,1065 9.359,1066 5.239,1067 8.192,1068 0.297,1069 9.821,1070 2.101,1071 5.398,1072 6.514,1073 2.615,1074 10.568,1075 5.038,1076 9.459,1077 -0.139,1078 11.415,1079 0.66,1080 7.081,1081 8.705,1082 3.661,1083 13.058,1084 6.728,1085 10.745,1086 -0.243,1087 13.034,1088 -0.34,1089 7.427,1090 9.098,1091 3.817,1092 14.655,1093 6.975,1094 12.048,1095 -0.596,1096 14.671,1097 -0.556,1098 8.799,1099 11.018,1100 4.672,1101 16.894,1102 8.349,1103 2.627,1104 -1,1105 16.321,1106 -1.266,1107 9.397,1108 11.651,1109 5.004,1110 18.685,1111 8.861,1112 2.624,1113 7.392,1114 17.98,1115 -2.247,1116 10.592,1117 13.395,1118 5.744,1119 20.804,1120 10.05,1121 2.18,1122 7.391,1123 19.647,1124 3.476,1125 11.34,1126 14.19,1127 6.173,1128 22.696,1129 10.725,1130 2.147,1131 5.528,1132 21.319,1133 3.455,1134 12.434,1135 15.806,1136 6.844,1137 24.755,1138 11.805,1139 1.683,1140 5.508,1141 22.996,1142 2.759,1143 13.271,1144 16.716,1145 7.329,1146 26.699,1147 12.578,1148 1.436,1149 3.457,1150 24.676,1151 2.364,1152 14.307,1153 18.24,1154 7.958,1155 28.729,1156 13.594,1157 1.388,1158 3.05,1159 26.359,1160 2.013,1161 15.197,1162 19.234,1163 8.476,1164 30.7,1165 14.427,1166 7810,1167 12609,1168 16.871,1169 31.739,1170 34.948,1171 36.144,1172 35.268,1173 34.844,1174 34.76,1175 44.111,1176 7.916,1177 84.651,1178 32.542,1179 4.926,1180 5.785,1181 5.311,1182 4.673,1183 4.627,1184 6.476,1185 3.124,1186 12.808,1187 4.558,1188 8.855,1189 1.398,1190 1.446,1191 1.411,1192 1.394,1193 1.39,1194 1.764,1195 0.317,1196 3.386,1197 1.302,1198 3.932,1199 3.973,1200 3.957,1201 3.858,1202 4.974,1203 3.852,1204 3.87,1205 3.917,1206 3.845,1207 3.752,1208 4.763,1209 3.756,1210 3.683,1211 3.741,1212 3.72,1213 3.487,1214 4.755,1215 3.482,1216 3.555,1217 3.633,1218 3.522,1219 3.391,1220 4.569,1221 3.367,1222 3.299,1223 3.355,1224 3.287,1225 3.15,1226 4.174,1227 3.111,1228 3.104,1229 3.189,1230 2.94,1231 2.949,1232 3.854,1233 2.923,1234 2.958,1235 3.052,1236 2.784,1237 2.772,1238 3.801,1239 2.746,1240 2.854,1241 2.925,1242 2.728,1243 2.735,1244 3.749,1245 2.715,1246 0.159,1247 0.151,1248 0.219,1249 0.144,1250 0.105,1251 3.963,1252 0.139,1253 3.785,1254 0.07,1255 5.484,1256 0.296,1257 3.596,1258 0.102,1259 2.627,1260 3.476,1261 1.762,1262 7.392,1263 2.558,1264 1.915,1265 1.883,1266 2.049,1267 2.017,1268 1.209,1269 2.03,1270 1.822,1271 1.78,1272 1.938,1273 1.972,1274 1.068,1275 1.966,1276 1.622,1277 1.56,1278 1.858,1279 1.862,1280 0.986,1281 1.865,1282 1.51,1283 1.437,1284 1.753,1285 1.746,1286 0.934,1287 1.759,1288 1.231,1289 1.179,1290 1.525,1291 1.482,1292 0.692,1293 1.499,1294 1.107,1295 1.036,1296 1.359,1297 1.323,1298 0.5,1299 1.356,1300 0.996,1301 0.903,1302 1.282,1303 1.221,1304 0.344,1305 1.274,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 3.932,1314 5.142,1316 6.524,1318 7.98,1320 9.474,1322 2.098,1328 3.807,1329 6.125,1330 5.635,1333 2.246,1340 29.256,1341 74.98,1342 161.443,1343 209.323,1344 235.323,1345 245.323,1346 245.323,1347 34.88,1348 6.284,1349 49.42,1350 81.51,1351 12,1352 11.571,1353 3.807,1354 3,1355 49.098,1356 118,1357 88,1358 0.195,1359 190.458,1360 326.26,1361 456.478,1362 4655,1364 17.037,1365 0.71,1366 0.615,1367 17.537,1368 14.759,1369 11.737,1370 0.469,1371 0.336,1372 7.907,1373 11.026,1374 7.661,1375 6.416,1376 12.026,1377 8.408,1378 9.681,1379 0.323,1380 0.195,1381 10.09,1382 5.84,1383 7.065,1384 0.214,1385 0.109,1386 7.327,1387 3.598,1388 5.559,1389 0.146,1390 0.062,1391 5.827,1392 2.337,1393 4.093,1394 0.1,1395 0.034,1396 4.283,1397 1.411,1398 0.329,1399 76.323,1400 0.243,1401 24.833,1402 0.479,1403 110,1404 310.552,1405 134.157,1406 323.735,1407 428.8,1408 304,1409 118,1410 284.177,1411 136.447,1412 299.63,1413 424.47,1414 279,1415 5.398}
{0 CHEMBL1085125,1 1.372,2 10.565,3 3.951,4 15.609,5 92.8,6 6.206,7 0.24,8 3.995,9 4.131,10 3.408,11 3.497,12 4.907,13 3.442,14 4.613,15 4.822,16 3.798,17 3.94,18 5.503,19 3.853,20 4.903,21 5.145,22 3.846,23 4.129,24 5.674,25 4.006,26 4.999,27 5.253,28 3.75,29 4.139,30 5.797,31 3.978,32 4.99,33 5.286,34 3.625,35 3.976,36 5.787,37 3.811,38 4.718,39 4.973,40 3.435,41 3.747,42 5.609,43 3.61,44 4.525,45 4.777,46 3.327,47 3.591,48 5.447,49 3.462,50 4.423,51 4.671,52 3.152,53 3.465,54 5.409,55 3.334,56 0.051,57 0.717,58 12.649,59 5.068,60 7.036,61 7.272,62 0.369,63 1.193,64 23.69,65 8.535,66 31.897,67 12.658,68 0.263,69 1.487,70 31.133,71 11.236,72 24.602,73 16.615,74 0.271,75 1.546,76 34.029,77 12.383,78 35.399,79 18.226,80 0.342,81 1.384,82 33.746,83 11.101,84 42.447,85 16.708,86 0.392,87 1.046,88 26.339,89 8.603,90 40.557,91 12.391,92 0.232,93 0.901,94 21.532,95 7.111,96 29.544,97 10.432,98 0.369,99 0.817,100 19.876,101 5.88,102 39.503,103 8.793,104 26,105 36,106 0.235,107 0.516,108 0.75,109 0.877,110 0.877,111 0.877,112 3.188,113 1.07,114 -4.18,115 -4.12,116 -3.89,121 37.3,122 3,123 4,125 1,127 3,129 1,144 3,145 2,146 1,161 1,176 10,179 1,180 6,183 2,185 1,187 13,192 5,197 1,200 11,206 8,211 3,214 6,219 8,224 2,227 5,231 1,232 4,237 2,239 4,244 3,249 3,251 5,255 1,256 1,259 1,264 6,277 7,281 700,282 15.565,283 15.565,284 15.565,285 15.565,286 15.565,287 14.725,288 22.483,289 9.188,290 15.883,291 12.235,292 12.235,293 12.235,294 12.235,295 12.235,296 10.855,297 28.055,298 4.235,299 12.69,300 4.3,301 2.663,302 1.3,303 0.554,304 0.554,305 0.554,306 3.866,310 1,311 1,312 1,313 515,314 3.808,317 86.521,318 50.407,320 69.877,321 75.287,324 105.408,325 1.584,326 17.289,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 49,338 243,339 4.78,340 3.899,341 7.933,342 4.675,343 3.685,344 4.16,345 2.186,346 14.943,347 3.652,348 3.988,349 3.662,350 6.169,351 3.648,352 2.696,353 3.314,354 0.8,355 8.716,356 2.571,357 3.669,358 2.858,359 5.67,360 3.363,361 2.426,362 2.875,363 0.366,364 7.464,365 2.254,366 3.35,367 2.593,368 5.407,369 3.209,370 2.241,371 2.52,373 7.008,374 2.156,375 3.298,376 2.394,377 4.801,378 2.957,379 1.986,380 2.388,382 5.417,383 1.917,384 2.624,385 1.784,386 4.66,387 2.557,388 1.564,389 1.647,391 4.058,392 1.547,393 2.61,394 1.52,395 4.149,396 2.327,397 1.349,398 1.612,400 2.999,401 1.316,402 2.29,403 1.167,404 3.57,405 2.113,406 1.121,407 1.275,409 2.988,410 1.111,411 1.773,412 1.054,413 3.327,414 1.679,415 0.716,416 0.741,418 1.41,419 0.685,420 1.724,421 0.869,422 2.97,423 1.635,424 0.657,425 0.684,427 1.159,428 0.64,429 1.388,430 0.709,431 2.813,432 1.184,433 0.214,434 0.235,436 0.408,437 0.206,438 0.961,439 0.304,440 2.702,441 0.763,442 -0.184,443 -0.195,445 -0.372,446 -0.173,447 0.761,448 -0.04,449 2.436,450 0.588,451 -0.418,452 -0.461,454 -0.75,455 -0.414,456 0.613,457 -0.37,458 2.371,459 0.318,460 -0.677,461 -0.777,463 -1.775,464 -0.67,465 0.544,466 -0.666,467 2.298,468 0.17,469 -0.826,470 -1.075,472 -2.452,473 -0.822,474 10.967,475 0.477,476 0.592,477 0.026,478 22.5,479 0.978,480 8,481 0.348,482 14.5,483 0.63,484 24.525,485 1.066,486 26.833,487 0.526,488 14.267,489 0.62,490 3.762,491 0.164,492 7.318,493 0.318,494 0.167,495 0.046,496 0.264,501 0.789,502 1.47,503 0.967,504 1.287,505 0.614,506 1.163,507 0.618,508 1.057,509 0.907,510 0.994,511 0.381,512 0.976,513 0.982,514 1.05,515 1.012,516 1.028,517 0.677,518 1.018,519 0.945,520 1.196,521 1.092,522 1.202,523 0.872,524 1.171,525 1.12,526 0.91,527 0.886,528 0.898,529 1.152,530 0.868,531 1.784,532 0.921,533 1.127,534 0.946,535 1.548,536 0.972,537 1.533,538 1.141,539 1.052,540 1.062,541 1.796,542 1.02,543 1.965,544 0.876,545 1.334,546 0.925,547 2.767,548 1.038,549 5.5,550 0.085,551 3.333,552 2.396,553 1.366,554 0.663,555 0.456,556 0.291,557 0.201,558 0.135,559 5372,560 10149,561 2.031,562 54.9,563 8,564 10,567 1,569 9,572 1.656,573 1.878,574 3.31,575 -0.369,577 1,582 69.977,583 1.372,584 3.009,585 4.372,586 5.118,587 5.118,588 5.118,589 2.877,590 4.524,591 4.484,592 3.455,593 874.066,594 7.72,595 9804.53,597 1,599 1,600 289.294,601 1.631,602 4.433,603 0.22,604 0.008,605 0.093,606 0.065,607 0.044,608 0.025,609 0.021,610 0.015,611 0.013,612 0.01,613 0.512,614 0.5,615 1,616 1.925,617 107.6,618 0.009,619 -0.152,620 0.065,621 -0.056,622 -0.018,623 0.001,624 0.307,625 0.122,626 0.112,627 0.09,628 0.251,629 0.082,630 -0.073,631 0.033,632 -0.018,633 0.014,634 -0.003,635 0.009,636 -0.048,637 -0.176,638 -0.117,639 -0.176,640 -0.003,641 -0.157,642 -0.014,643 0.004,644 0.098,645 0.03,646 -0.01,647 0.073,648 -0.118,649 0.008,650 -0.075,651 0.01,652 -0.13,653 -0.026,654 -0.095,655 -0.181,656 -0.02,657 -0.083,658 -0.114,659 -0.053,660 -0.18,661 0.139,662 -0.246,663 -0.007,664 -0.301,665 -0.121,666 2.014,667 4.852,668 0.522,669 21.051,670 0.987,671 1.134,672 2.945,673 8.673,674 0.624,675 3.258,676 3.611,677 3.932,678 4.248,679 4.466,680 4.595,681 4.762,682 4.844,683 4.828,684 4.836,685 5.864,686 0.575,687 316.49,688 3.258,689 4.812,690 5.687,691 6.603,692 7.513,693 8.445,694 9.373,695 10.315,696 11.253,697 12.2,698 3.9,701 1,705 1,715 3,720 3,722 6,737 1,741 51,743 7,744 1,745 25,747 53,748 19,749 6,750 3,751 3,756 3,757 6,763 3,764 1,766 1,767 3,770 5,772 7,773 12,777 1,782 1,786 1,790 1,793 28,794 4,795 1,796 4,802 2,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 3,868 23,876 7,877 1,878 1,880 1,881 1,882 1,893 3.9,896 1,898 1,901 12.25,902 9.867,903 5.181,904 3.649,907 1.3,908 1.182,909 0.931,910 4.859,911 8.46,912 3.401,913 3.902,914 4.385,915 4.908,916 5.389,917 5.641,918 6.006,919 6.263,920 6.322,921 6.404,922 1,923 37,924 8.578,926 3.606,927 0.026,929 7.533,931 17.069,933 14.51,936 2.033,937 46.75,938 0.001,940 1,941 317.82,942 89.737,943 21.135,945 36.145,948 89.737,949 353.965,950 21.135,951 26.476,952 34.466,953 28.429,954 25.145,955 25.739,956 6.763,957 317.82,959 317.82,960 110.872,961 36.145,964 211.88,965 142.085,968 64.066,969 46.806,972 317.82,973 57.28,974 89.737,977 317.82,978 34.832,979 58.029,980 18.011,981 36.145,982 317.82,983 57.28,984 89.737,986 0.576,987 0.344,988 0.189,989 0.103,990 18,991 8,992 0.113,993 6,994 2,995 1.333,996 3.475,997 184.697,998 0.333,999 12,1000 104.042,1005 16.631,1006 6.721,1007 3.08,1009 57.28,1010 6.161,1015 3.446,1017 18.011,1018 464.836,1019 29,1024 11.852,1028 -0.347,1031 50.345,1032 57.813,1034 0.242,1035 0.531,1036 0.771,1037 0.902,1038 0.902,1039 0.902,1040 4.687,1041 1.121,1042 5.72,1043 2.999,1044 4.29,1045 4.585,1046 2.351,1047 6.653,1048 4.227,1049 5.876,1050 0.716,1051 7.361,1052 2.988,1053 4.111,1054 4.494,1055 1.847,1056 8.069,1057 4.039,1058 7.207,1059 0.657,1060 9.128,1061 1.41,1062 6.033,1063 6.649,1064 3.504,1065 11.222,1066 5.926,1067 8.581,1068 0.214,1069 10.98,1070 1.159,1071 6.735,1072 7.368,1073 3.598,1074 13.535,1075 6.639,1076 9.996,1077 -0.184,1078 12.889,1079 0.408,1080 8.194,1081 9.076,1082 4.907,1083 16.344,1084 8.079,1085 11.442,1086 -0.418,1087 14.841,1088 -0.372,1089 9.269,1090 10.151,1091 5.29,1092 18.938,1093 9.165,1094 12.911,1095 -0.677,1096 16.823,1097 -0.75,1098 10.598,1099 11.698,1100 6.387,1101 21.668,1102 10.485,1103 3.685,1104 -0.826,1105 18.829,1106 -1.775,1107 11.817,1108 12.943,1109 6.93,1110 24.341,1111 11.709,1112 2.696,1113 14.943,1114 20.851,1115 -2.452,1116 13.117,1117 14.424,1118 7.902,1119 27.053,1120 13.003,1121 2.426,1122 8.716,1123 22.887,1124 4.16,1125 14.389,1126 15.754,1127 8.539,1128 29.748,1129 14.273,1130 2.241,1131 7.464,1132 24.931,1133 3.314,1134 15.686,1135 17.204,1136 9.436,1137 32.454,1138 15.564,1139 1.986,1140 7.008,1141 26.983,1142 2.875,1143 16.977,1144 18.579,1145 10.13,1146 35.156,1147 16.85,1148 1.564,1149 5.417,1150 29.039,1151 2.52,1152 18.277,1153 20.016,1154 10.981,1155 37.861,1156 18.143,1157 1.349,1158 4.058,1159 31.099,1160 2.388,1161 19.575,1162 21.413,1163 11.71,1164 40.564,1165 19.434,1166 5396,1167 7531,1168 16.296,1169 31.819,1170 37.467,1171 38.442,1172 39.713,1173 37.314,1174 37.307,1175 42.906,1176 6.705,1177 113.141,1178 36.11,1179 5.743,1180 5.899,1181 7.844,1182 5.749,1183 5.685,1184 7.16,1185 3.889,1186 23.402,1187 5.652,1188 12.131,1189 1.499,1190 1.538,1191 1.589,1192 1.493,1193 1.492,1194 1.716,1195 0.268,1196 4.526,1197 1.444,1198 4.099,1199 4.131,1200 4.037,1201 4.027,1202 7.435,1203 4.026,1204 3.743,1205 3.798,1206 3.651,1207 3.581,1208 4.819,1209 3.586,1210 3.685,1211 3.746,1212 3.543,1213 3.541,1214 4.418,1215 3.528,1216 3.438,1217 3.503,1218 3.306,1219 3.244,1220 4.245,1221 3.231,1222 3.373,1223 3.444,1224 3.185,1225 3.133,1226 4.102,1227 3.156,1228 3.171,1229 3.244,1230 2.993,1231 3.015,1232 3.961,1233 3,1234 3.076,1235 3.184,1236 2.819,1237 2.881,1238 3.842,1239 2.852,1240 2.993,1241 3.054,1242 2.783,1243 2.73,1244 3.638,1245 2.743,1246 0.191,1247 0.156,1248 0.317,1249 0.187,1250 0.147,1251 4.78,1252 0.166,1253 3.899,1254 0.087,1255 7.933,1256 0.598,1257 4.675,1258 0.146,1259 3.685,1260 4.16,1261 2.186,1262 14.943,1263 3.652,1264 1.911,1265 1.893,1266 2.014,1267 1.996,1268 1.312,1269 2,1270 1.7,1271 1.631,1272 1.971,1273 1.898,1274 1.254,1275 1.923,1276 1.676,1277 1.622,1278 1.892,1279 1.862,1280 1.218,1281 1.875,1282 1.59,1283 1.519,1284 1.842,1285 1.765,1286 1.072,1287 1.795,1288 1.324,1289 1.265,1290 1.616,1291 1.62,1292 0.828,1293 1.613,1294 1.263,1295 1.176,1296 1.598,1297 1.491,1298 0.754,1299 1.536,1300 1.099,1301 1.021,1302 1.452,1303 1.342,1304 0.596,1305 1.378,1306 0.924,1307 0.864,1308 1.202,1309 1.237,1310 0.302,1311 1.244,1312 3.932,1314 5.273,1315 3.045,1316 6.819,1317 5.587,1318 8.472,1319 7.832,1320 10.193,1322 6.708,1328 7.286,1329 2.802,1330 5.469,1332 0.594,1333 2.581,1334 0.198,1340 29.321,1341 69.977,1342 153.48,1343 222.99,1344 261.029,1345 261.029,1346 261.029,1347 38.024,1348 7.16,1349 41.57,1350 41.57,1351 16,1352 12.693,1353 3,1354 2.322,1355 37.019,1356 80,1357 103,1358 0.236,1359 180.716,1360 318.3,1361 432.708,1362 10960,1364 16.449,1365 0.715,1366 0.631,1367 16.449,1368 14.523,1369 11.08,1370 0.443,1371 0.357,1372 8.821,1373 10.711,1374 8.523,1375 7.111,1376 11.08,1377 8.913,1378 9.937,1379 0.276,1380 0.195,1381 9.937,1382 7.005,1383 8.536,1384 0.171,1385 0.112,1386 8.536,1387 5.621,1388 7.212,1389 0.105,1390 0.061,1391 7.212,1392 4.196,1393 5.741,1394 0.067,1395 0.034,1396 5.741,1397 2.931,1398 0.367,1399 68.902,1400 0.248,1401 22.558,1402 0.65,1403 122,1404 289.449,1405 132.889,1406 276.416,1407 383.65,1408 260,1409 147,1410 289.064,1411 156.812,1412 290.17,1413 430.73,1414 274,1415 7.046}
{0 CHEMBL1085126,1 1.372,2 9.261,3 3.553,4 12.627,5 92.73,6 6.206,7 0.24,8 3.995,9 4.131,10 3.408,11 3.497,12 4.924,13 3.442,14 4.613,15 4.822,16 3.86,17 3.953,18 5.528,19 3.879,20 4.916,21 5.134,22 3.871,23 4.179,24 5.748,25 4.058,26 5.114,27 5.398,28 3.813,29 4.184,30 5.909,31 4.012,32 4.995,33 5.269,34 3.602,35 3.952,36 5.894,37 3.805,38 4.65,39 4.904,40 3.431,41 3.77,42 5.483,43 3.626,44 4.539,45 4.784,46 3.373,47 3.694,48 5.434,49 3.545,50 4.573,51 4.851,52 3.166,53 3.551,54 5.488,55 3.391,56 0.051,57 0.717,58 12.649,59 5.068,60 8.701,61 7.272,62 0.362,63 1.207,64 23.715,65 8.488,66 34.194,67 12.642,68 0.288,69 1.567,70 31.908,71 11.256,72 30.727,73 16.756,74 0.259,75 1.644,76 37.785,77 13.842,78 43.968,79 20.379,80 0.506,81 1.332,82 34.744,83 10.761,84 64.683,85 15.77,86 0.316,87 1.04,88 24.279,89 8.557,90 30.519,91 12.349,92 0.139,93 0.982,94 21.409,95 7.866,96 23.317,97 11.553,98 0.396,99 0.913,100 22.749,101 6.864,102 44.511,103 10.355,104 44,105 39,106 0.235,107 0.518,108 0.703,109 0.802,110 0.802,111 0.802,112 3.189,113 1.032,114 -4.18,115 -4.12,116 -3.89,121 37.3,122 5,123 2,125 1,127 2,129 1,132 1,144 3,145 2,146 1,161 1,176 8,179 1,180 6,183 2,185 3,187 15,192 5,200 11,206 12,211 2,214 6,219 6,224 2,227 5,231 1,232 2,237 2,239 8,244 3,249 3,251 7,255 1,256 1,259 1,264 6,277 9,281 653,282 14.676,283 14.676,284 14.676,285 14.676,286 14.676,287 13.836,288 25.645,289 8.149,290 14.993,291 12.275,292 12.275,293 12.275,294 12.275,295 12.275,296 10.91,297 40.555,298 3.781,299 12.742,300 4.3,301 2.65,302 1.571,303 0.996,304 0.996,305 0.996,306 3.858,310 1,311 1,312 1,313 447,314 4.183,317 85.799,318 49.92,320 69.306,321 74.577,324 104.528,325 1.512,326 17.425,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 49,338 213,339 4.78,340 3.899,341 7.933,342 4.675,343 3.685,344 4.16,345 2.186,346 14.943,347 3.652,348 4.168,349 3.716,350 6.446,351 4.099,352 3.133,353 3.334,354 0.8,355 10.157,356 3.025,357 3.959,358 3.112,359 6.169,360 3.633,361 2.675,362 3.169,363 0.366,364 8.713,365 2.565,366 3.581,367 2.851,368 5.668,369 3.3,370 2.37,371 2.774,373 7.443,374 2.19,375 3.333,376 2.585,377 5.376,378 3.187,379 2.212,380 2.398,382 6.938,383 2.141,384 3.239,385 2.39,386 4.725,387 2.839,388 1.851,389 2.387,391 5.13,392 1.808,393 2.612,394 1.52,395 4.633,396 2.327,397 1.349,398 1.646,400 4.04,401 1.316,402 2.29,403 1.167,404 4.149,405 2.113,406 1.12,407 1.275,409 2.988,410 1.111,411 1.734,412 0.899,413 3.329,414 1.652,415 0.672,416 0.703,418 1.38,419 0.657,420 1.394,421 0.74,422 3.122,423 1.199,424 0.24,425 0.263,427 0.493,428 0.228,429 0.962,430 0.437,431 2.842,432 0.788,433 -0.141,434 -0.149,436 -0.346,437 -0.131,438 0.875,439 0.165,440 2.72,441 0.557,442 -0.449,443 -0.513,445 -1.186,446 -0.441,447 0.613,448 -0.371,449 2.516,450 0.317,451 -0.689,452 -0.828,454 -1.786,455 -0.69,456 0.538,457 -0.678,458 2.388,459 0.17,460 -0.827,461 -1,463 -2.627,464 -0.823,465 0.098,466 -0.729,467 2.299,469 -1,470 -1,472 -3,473 -1,474 10.967,475 0.477,476 0.946,477 0.041,478 22.5,479 0.978,480 8,481 0.348,482 14.5,483 0.63,484 26.216,485 1.14,486 26.833,487 0.526,488 14.659,489 0.637,490 3.732,491 0.162,492 6.995,493 0.304,494 0.258,495 0.091,496 0.264,501 0.789,502 1.47,503 0.967,504 1.287,505 0.674,506 1.163,507 0.577,508 1.049,509 0.788,510 0.916,511 0.324,512 0.874,513 1.159,514 1.167,515 1.256,516 1.184,517 0.811,518 1.21,519 0.713,520 1.081,521 0.869,522 1.098,523 0.621,524 1.017,525 1.967,526 0.829,527 1.103,528 0.816,529 2.12,530 0.865,531 1.339,532 0.936,533 1.062,534 0.966,535 1.005,536 0.99,537 0.848,538 1.351,539 1.034,540 1.301,541 1.059,542 1.21,543 1.665,544 0.8,545 1.181,546 0.848,547 2.35,548 0.943,549 8,550 0.11,551 3.556,552 2.896,553 1.366,554 0.83,555 0.579,556 0.329,557 0.389,558 0.189,559 5104,560 9761,561 1.971,562 54.9,563 3,564 8,567 1,569 16,572 1.657,573 1.769,574 3.148,575 -0.369,577 1,582 69.977,583 1.372,584 3.022,585 4.102,586 4.676,587 4.676,588 4.676,589 2.682,590 4.317,591 4.492,592 3.34,593 844.992,594 7.736,595 9376.29,597 1,599 1,600 289.294,601 1.848,602 4.393,603 0.32,604 0.012,605 0.091,606 0.078,607 0.041,608 0.032,609 0.025,610 0.016,611 0.024,612 0.011,613 0.651,614 0.5,615 1,616 1.599,617 106.64,618 0.009,619 -0.152,620 0.065,621 -0.056,622 -0.067,623 0.001,624 0.348,625 0.13,626 0.234,627 0.169,628 0.312,629 0.185,630 -0.174,631 -0.005,632 -0.238,633 -0.125,634 -0.113,635 -0.174,636 0.077,637 -0.134,638 0.08,639 -0.102,640 0.161,641 -0.021,642 -0.226,643 0.059,644 -0.049,645 0.096,646 -0.206,647 0.048,648 -0.059,649 0.039,650 -0.048,651 0.034,652 -0.086,653 -0.004,654 0.027,655 -0.327,656 -0.06,657 -0.256,658 -0.031,659 -0.183,660 -0.117,661 0.152,662 -0.135,663 0.046,664 -0.257,665 -0.037,666 2.057,667 4.993,668 0.522,669 18.616,670 0.987,671 1.134,672 2.945,673 8.673,674 0.624,675 3.258,676 3.689,677 3.932,678 4.277,679 4.454,680 4.605,681 4.771,682 4.86,683 4.898,684 4.883,685 5.54,686 0.575,687 316.49,688 3.258,689 4.86,690 5.727,691 6.671,692 7.567,693 8.516,694 9.429,695 10.38,696 11.305,697 12.257,698 3.9,701 1,705 1,715 3,720 3,722 6,737 1,741 51,743 7,744 1,745 25,747 53,748 19,749 6,750 3,751 3,756 3,757 6,763 5,764 1,766 1,767 3,770 3,772 7,773 12,774 1,777 1,782 1,786 1,789 1,790 1,793 28,794 4,795 1,796 4,802 2,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 5,868 23,876 4,877 1,878 1,880 1,881 1,882 2,893 3.9,896 1,898 1,901 13,902 10.617,903 4.806,904 3.336,907 1.3,908 1.182,909 0.91,910 4.118,911 8.46,912 3.401,913 3.961,914 4.385,915 4.937,916 5.38,917 5.648,918 6.019,919 6.283,920 6.381,921 6.46,922 1,923 37,924 8.571,926 3.651,927 0.026,929 7.565,931 16.928,933 14.546,936 2.065,937 47.5,938 0.001,940 1,941 317.82,942 100.212,943 21.135,945 36.145,948 100.212,949 353.965,950 21.135,951 44.126,952 27.291,953 28.429,954 25.145,955 25.739,956 6.763,957 317.82,959 317.82,960 121.347,961 36.145,964 129.482,965 224.482,968 74.542,969 46.806,972 317.82,973 57.28,974 100.212,977 317.82,978 27.658,979 75.679,980 18.011,981 36.145,982 317.82,983 57.28,984 100.212,986 0.608,987 0.332,988 0.185,989 0.093,990 21,991 10,992 0.075,993 4,994 2,995 1.333,996 3.347,997 189.581,998 0.333,999 12,1000 99.287,1005 16.631,1006 5.696,1007 3.08,1009 57.28,1010 6.13,1015 3.404,1017 18.011,1018 475.312,1019 29,1024 11.993,1028 -0.39,1031 50.345,1032 57.813,1034 0.242,1035 0.533,1036 0.723,1037 0.824,1038 0.824,1039 0.824,1040 4.741,1041 1.12,1042 5.832,1043 4.04,1044 4.369,1045 4.644,1046 2.351,1047 6.795,1048 4.305,1049 5.987,1050 0.672,1051 7.499,1052 2.988,1053 4.443,1054 4.732,1055 1.847,1056 8.295,1057 4.369,1058 7.352,1059 0.24,1060 9.284,1061 1.38,1062 6.205,1063 6.746,1064 3.504,1065 11.362,1066 6.094,1067 8.746,1068 -0.141,1069 11.141,1070 0.493,1071 7.013,1072 7.525,1073 3.598,1074 13.658,1075 6.905,1076 10.172,1077 -0.449,1078 13.047,1079 -0.346,1080 8.404,1081 9.17,1082 4.907,1083 16.429,1084 8.274,1085 11.619,1086 -0.689,1087 14.988,1088 -1.186,1089 9.5,1090 10.255,1091 5.29,1092 19,1093 9.373,1094 13.084,1095 -0.827,1096 16.956,1097 -1.786,1098 10.794,1099 11.771,1100 6.387,1101 21.712,1102 10.656,1103 3.685,1104 -1,1105 18.946,1106 -2.627,1107 12.003,1108 13.011,1109 6.93,1110 24.371,1111 11.865,1112 3.133,1113 14.943,1114 20.953,1115 -3,1116 13.278,1117 14.474,1118 7.902,1119 27.073,1120 13.134,1121 2.675,1122 10.157,1123 22.973,1124 4.16,1125 14.533,1126 15.798,1127 8.539,1128 29.762,1129 14.387,1130 2.37,1131 8.713,1132 25.004,1133 3.334,1134 15.811,1135 17.238,1136 9.436,1137 32.464,1138 15.66,1139 2.212,1140 7.443,1141 27.043,1142 3.169,1143 17.086,1144 18.607,1145 10.13,1146 35.162,1147 16.931,1148 1.851,1149 6.938,1150 29.09,1151 2.774,1152 18.371,1153 20.037,1154 10.981,1155 37.865,1156 18.21,1157 1.349,1158 5.13,1159 31.141,1160 2.398,1161 19.657,1162 21.431,1163 11.71,1164 40.567,1165 19.491,1166 5152,1167 7231,1168 15.603,1169 31.819,1170 38.978,1171 40.049,1172 40.701,1173 38.607,1174 38.614,1175 44.216,1176 6.705,1177 124.448,1178 37.383,1179 5.743,1180 5.899,1181 7.468,1182 5.753,1183 5.685,1184 7.16,1185 3.889,1186 23.402,1187 5.652,1188 14.669,1189 1.559,1190 1.602,1191 1.628,1192 1.544,1193 1.545,1194 1.769,1195 0.268,1196 4.978,1197 1.495,1198 4.099,1199 4.132,1200 4.038,1201 4.028,1202 7.435,1203 4.026,1204 3.776,1205 3.833,1206 3.68,1207 3.603,1208 4.82,1209 3.608,1210 3.696,1211 3.749,1212 3.584,1213 3.567,1214 4.435,1215 3.563,1216 3.413,1217 3.49,1218 3.252,1219 3.242,1220 4.363,1221 3.223,1222 3.29,1223 3.32,1224 3.158,1225 3.073,1226 4.105,1227 3.083,1228 3.105,1229 3.184,1230 2.949,1231 2.881,1232 3.949,1233 2.895,1234 3.076,1235 3.164,1236 2.819,1237 2.853,1238 3.643,1239 2.852,1240 2.874,1241 3.009,1242 2.583,1243 2.639,1244 3.531,1245 2.615,1246 0.191,1247 0.156,1248 0.317,1249 0.187,1250 0.147,1251 4.78,1252 0.166,1253 3.899,1254 0.087,1255 7.933,1256 0.598,1257 4.675,1258 0.146,1259 3.685,1260 4.16,1261 2.186,1262 14.943,1263 3.652,1264 1.911,1265 1.893,1266 2.014,1267 2,1268 1.312,1269 2.002,1270 1.729,1271 1.666,1272 1.969,1273 1.92,1274 1.219,1275 1.938,1276 1.676,1277 1.623,1278 1.892,1279 1.862,1280 1.155,1281 1.875,1282 1.59,1283 1.518,1284 1.842,1285 1.763,1286 1.071,1287 1.794,1288 1.283,1289 1.213,1290 1.606,1291 1.515,1292 0.828,1293 1.544,1294 1.135,1295 1.087,1296 1.454,1297 1.438,1298 0.597,1299 1.416,1300 0.994,1301 0.933,1302 1.417,1303 1.283,1304 0.469,1305 1.308,1306 0.934,1307 0.804,1308 1.417,1309 1.239,1310 0.469,1311 1.308,1312 3.932,1314 5.333,1315 3.045,1316 6.907,1317 5.587,1318 8.568,1319 7.832,1320 10.286,1322 10.43,1328 4.544,1329 2.838,1330 5.499,1332 0.584,1333 2.576,1334 -0.108,1340 29.321,1341 69.977,1342 154.135,1343 209.181,1344 238.5,1345 238.5,1346 238.5,1347 40.523,1348 7.16,1349 41.57,1350 41.57,1351 16,1352 12.75,1353 3,1354 2.322,1355 36.918,1356 77,1357 69,1358 0.247,1359 180.716,1360 318.3,1361 432.708,1362 10692,1364 16.828,1365 0.732,1366 0.648,1367 16.828,1368 14.902,1369 10.726,1370 0.429,1371 0.344,1372 8.514,1373 10.359,1374 8.069,1375 6.77,1376 10.726,1377 8.602,1378 11.206,1379 0.287,1380 0.208,1381 11.206,1382 8.099,1383 8.197,1384 0.164,1385 0.106,1386 8.197,1387 5.298,1388 7.48,1389 0.105,1390 0.058,1391 7.48,1392 4.124,1393 5.468,1394 0.064,1395 0.033,1396 5.468,1397 2.809,1398 0.381,1399 66.708,1400 0.253,1401 22.261,1402 0.697,1403 128,1404 295.449,1405 139.555,1406 284.95,1407 394.25,1408 266,1409 153,1410 299.627,1411 162.978,1412 304.67,1413 447.67,1414 284,1415 4.904}
{0 CHEMBL1085127,1 1.392,2 9.773,3 3.495,4 12.212,5 88.199,6 6.301,7 0.25,8 3.94,9 4.075,10 3.368,11 3.442,12 4.867,13 3.392,14 4.555,15 4.762,16 3.768,17 3.886,18 5.465,19 3.807,20 4.839,21 5.074,22 3.817,23 4.078,24 5.633,25 3.963,26 4.941,27 5.191,28 3.713,29 4.093,30 5.755,31 3.937,32 4.928,33 5.219,34 3.589,35 3.929,36 5.753,37 3.767,38 4.666,39 4.919,40 3.344,41 3.695,42 5.542,43 3.553,44 4.44,45 4.702,46 3.268,47 3.544,48 5.303,49 3.402,50 4.387,51 4.64,52 3.058,53 3.387,54 5.381,55 3.25,56 0.044,57 0.679,58 11.81,59 4.725,60 6.588,61 6.762,62 0.36,63 1.13,64 22.27,65 7.955,66 31.227,67 11.794,68 0.251,69 1.408,70 29.239,71 10.498,72 24.203,73 15.483,74 0.264,75 1.467,76 32.209,77 11.717,78 34.307,79 17.164,80 0.31,81 1.307,82 31.912,83 10.723,84 44.004,85 15.945,86 0.412,87 0.992,88 25.157,89 8.141,90 40.09,91 11.688,92 0.138,93 0.861,94 19.419,95 6.842,96 19.474,97 10.149,98 0.372,99 0.774,100 19.244,101 5.528,102 40.768,103 8.301,104 25,105 35,106 0.242,107 0.532,108 0.758,109 0.875,110 0.875,111 0.875,112 3.147,113 1.052,114 -3.94,115 -3.9,116 -3.7,121 37.5,122 3,123 3,125 1,127 3,129 1,144 3,145 2,146 1,161 1,176 9,179 1,180 6,183 2,185 1,187 12,192 5,197 1,200 11,206 8,211 2,214 6,219 8,224 2,227 5,231 1,232 2,237 2,239 4,244 3,249 3,251 5,255 1,256 1,259 1,264 4,277 5,281 612,282 14.858,283 14.858,284 14.858,285 14.858,286 14.858,287 14.018,288 22.483,289 8.688,290 15.176,291 11.735,292 11.735,293 11.735,294 11.735,295 11.735,296 10.355,297 28.055,298 3.981,299 12.196,300 4.193,301 2.523,302 1.225,303 0.547,304 0.547,305 0.547,306 3.823,310 1,311 1,312 1,313 456,314 3.674,317 79.857,318 46.834,320 64.526,321 69.754,324 97.639,325 1.45,326 16.66,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 47,338 215,339 4.78,340 3.899,341 7.933,342 4.675,343 3.685,344 4.16,345 2.186,346 14.943,347 3.652,348 3.988,349 3.662,350 6.169,351 3.648,352 2.696,353 3.314,354 0.8,355 8.716,356 2.571,357 3.669,358 2.858,359 5.67,360 3.362,361 2.425,362 2.875,363 0.366,364 7.464,365 2.252,366 3.35,367 2.593,368 5.407,369 3.209,370 2.24,371 2.52,373 7.007,374 2.155,375 3.298,376 2.394,377 4.8,378 2.951,379 1.979,380 2.388,382 5.412,383 1.91,384 2.613,385 1.691,386 4.66,387 2.37,388 1.394,389 1.646,391 4.056,392 1.356,393 2.444,394 1.52,395 4.149,396 2.309,397 1.324,398 1.426,400 2.988,401 1.299,402 2.288,403 1.167,404 3.388,405 2.112,406 1.12,407 1.272,409 2.502,410 1.11,411 1.734,412 0.896,413 3.319,414 1.653,415 0.673,416 0.703,418 1.373,419 0.658,420 1.405,421 0.746,422 2.884,423 1.252,424 0.311,425 0.328,427 0.569,428 0.29,429 1.288,430 0.58,431 2.761,432 1.11,433 0.128,434 0.139,436 0.212,437 0.125,438 0.961,439 0.26,440 2.658,441 0.718,442 -0.257,443 -0.292,445 -0.561,446 -0.247,447 0.613,448 -0.288,449 2.4,450 0.32,451 -0.666,452 -0.736,454 -1.732,455 -0.649,456 0.565,457 -0.569,458 2.302,459 0.17,460 -0.825,461 -1.075,463 -1.828,464 -0.82,465 0.178,466 -0.687,467 2.238,468 0.021,469 -1,470 -1.111,472 -2.626,473 -1.005,474 10.467,475 0.476,476 0.592,477 0.027,478 22,479 1,480 8,481 0.364,482 14,483 0.636,484 22.799,485 1.036,486 25.533,487 0.532,488 13.958,489 0.634,490 3.762,491 0.171,492 6.818,493 0.31,494 0.175,495 0.048,496 0.277,501 0.787,502 1.468,503 0.945,504 1.276,505 0.613,506 1.147,507 0.616,508 1.033,509 0.882,510 0.964,511 0.379,512 0.946,513 0.994,514 1.054,515 1.019,516 1.031,517 0.68,518 1.022,519 0.959,520 1.168,521 1.106,522 1.197,523 0.881,524 1.174,525 1.065,526 0.953,527 0.882,528 0.947,529 1.109,530 0.902,531 1.842,532 0.873,533 1.188,534 0.905,535 1.624,536 0.975,537 0.862,538 1.232,539 0.908,540 1.158,541 1.031,542 1.06,543 1.939,544 0.877,545 1.351,546 0.931,547 2.743,548 1.05,549 5.5,550 0.057,551 3.333,552 2.396,553 1.366,554 0.608,555 0.456,556 0.291,557 0.201,558 0.125,559 4603,560 9116,561 2.032,562 54.2,563 6,564 10,567 1,569 9,572 1.645,573 1.872,574 3.211,575 -0.354,577 1,582 66.808,583 1.392,584 3.061,585 4.36,586 5.038,587 5.038,588 5.038,589 2.708,590 4.369,591 4.421,592 3.34,593 771.619,594 7.601,595 8261.87,597 1,599 1,600 268.078,601 1.661,602 4.366,603 0.229,604 0.006,605 0.095,606 0.067,607 0.046,608 0.023,609 0.023,610 0.015,611 0.014,612 0.011,613 0.53,614 0.5,615 1,616 1.775,617 100.494,618 0.005,619 -0.159,620 0.066,621 -0.059,622 -0.023,623 0.001,624 0.306,625 0.143,626 0.128,627 0.111,628 0.25,629 0.102,630 -0.084,631 0.034,632 -0.03,633 0.011,634 -0.006,635 0.002,636 -0.064,637 -0.147,638 -0.135,639 -0.17,640 -0.016,641 -0.162,642 -0.001,643 -0.048,644 0.096,645 -0.003,646 0.022,647 0.052,648 -0.183,649 0.048,650 -0.138,651 0.046,652 -0.219,653 -0.035,654 0.051,655 -0.258,656 0.062,657 -0.154,658 0.022,659 -0.062,660 -0.188,661 0.113,662 -0.272,663 -0.035,664 -0.322,665 -0.15,666 2.025,667 4.736,668 0.545,669 18.86,670 0.989,671 1.133,672 2.713,673 7.359,674 0.626,675 3.219,676 3.584,677 3.912,678 4.234,679 4.454,680 4.575,681 4.754,682 4.828,683 4.812,684 4.812,685 5.464,686 0.579,687 302.46,688 3.219,689 4.779,690 5.659,691 6.581,692 7.495,693 8.431,694 9.362,695 10.306,696 11.246,697 12.194,698 4.2,701 1,705 1,715 3,720 3,722 6,737 1,741 48,743 7,744 1,745 24,747 50,748 18,749 6,750 3,751 3,756 3,757 6,763 3,764 1,766 1,767 3,770 4,772 7,773 11,777 1,782 1,786 1,789 1,790 1,793 26,794 4,795 1,796 4,802 2,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 3,868 22,876 6,877 1,878 1,880 1,881 1,882 1,893 4.2,896 1,898 1,901 11.75,902 9.367,903 4.931,904 3.399,907 1.306,908 1.184,909 0.933,910 4.353,911 8.391,912 3.367,913 3.882,914 4.373,915 4.901,916 5.384,917 5.63,918 6.004,919 6.257,920 6.314,921 6.389,922 0.857,923 36,924 8.197,926 3.459,927 0.026,929 7.557,931 16.253,933 13.843,936 2.057,937 45.25,938 0.001,940 1,941 294.278,942 87.202,943 21.135,945 36.145,948 87.202,949 330.422,950 21.135,951 26.476,952 31.931,953 28.429,954 25.145,955 25.739,956 6.763,957 294.278,959 294.278,960 108.337,961 36.145,964 188.338,965 142.085,968 61.531,969 46.806,972 294.278,973 57.28,974 87.202,977 294.278,978 32.298,979 58.029,980 18.011,981 36.145,982 294.278,983 57.28,984 87.202,986 0.579,987 0.35,988 0.193,989 0.107,990 18,991 8,992 0.1,993 5,994 2,995 1.333,996 3.353,997 176.151,998 0.333,999 12,1000 98.107,1005 15.666,1006 6.113,1007 2.747,1009 57.28,1010 6.139,1015 3.436,1017 18.011,1018 438.76,1019 28,1024 11.736,1028 -0.358,1031 47.461,1032 54.398,1034 0.249,1035 0.548,1036 0.781,1037 0.902,1038 0.902,1039 0.902,1040 4.659,1041 1.12,1042 5.7,1043 2.988,1044 4.263,1045 4.564,1046 2.351,1047 6.642,1048 4.197,1049 5.856,1050 0.673,1051 7.348,1052 2.502,1053 4.111,1054 4.494,1055 1.847,1056 8.069,1057 4.039,1058 7.193,1059 0.311,1060 9.121,1061 1.373,1062 6.019,1063 6.642,1064 3.504,1065 11.221,1066 5.91,1067 8.571,1068 0.128,1069 10.975,1070 0.569,1071 6.735,1072 7.368,1073 3.598,1074 13.535,1075 6.639,1076 9.99,1077 -0.257,1078 12.887,1079 0.212,1080 8.188,1081 9.074,1082 4.907,1083 16.343,1084 8.073,1085 11.437,1086 -0.666,1087 14.839,1088 -0.561,1089 9.269,1090 10.151,1091 5.29,1092 18.938,1093 9.165,1094 12.908,1095 -0.825,1096 16.823,1097 -1.732,1098 10.596,1099 11.697,1100 6.387,1101 21.668,1102 10.484,1103 3.685,1104 -1,1105 18.828,1106 -1.828,1107 11.817,1108 12.943,1109 6.93,1110 24.341,1111 11.709,1112 2.696,1113 14.943,1114 20.851,1115 -2.626,1116 13.117,1117 14.423,1118 7.902,1119 27.053,1120 13.003,1121 2.425,1122 8.716,1123 22.887,1124 4.16,1125 14.389,1126 15.754,1127 8.539,1128 29.748,1129 14.273,1130 2.24,1131 7.464,1132 24.931,1133 3.314,1134 15.686,1135 17.204,1136 9.436,1137 32.454,1138 15.564,1139 1.979,1140 7.007,1141 26.983,1142 2.875,1143 16.977,1144 18.579,1145 10.13,1146 35.156,1147 16.85,1148 1.394,1149 5.412,1150 29.039,1151 2.52,1152 18.277,1153 20.016,1154 10.981,1155 37.861,1156 18.143,1157 1.324,1158 4.056,1159 31.099,1160 2.388,1161 19.575,1162 21.413,1163 11.71,1164 40.564,1165 19.434,1166 4639,1167 6632,1168 15.603,1169 30.057,1170 36.046,1171 37.151,1172 38.491,1173 35.943,1174 35.951,1175 41.543,1176 6.705,1177 110.486,1178 34.757,1179 5.743,1180 5.899,1181 7.798,1182 5.744,1183 5.685,1184 7.16,1185 3.889,1186 23.402,1187 5.652,1188 11.696,1189 1.502,1190 1.548,1191 1.604,1192 1.498,1193 1.498,1194 1.731,1195 0.279,1196 4.604,1197 1.448,1198 4.098,1199 4.131,1200 4.037,1201 4.027,1202 7.435,1203 4.025,1204 3.733,1205 3.781,1206 3.648,1207 3.579,1208 4.819,1209 3.585,1210 3.652,1211 3.723,1212 3.514,1213 3.473,1214 4.419,1215 3.466,1216 3.415,1217 3.491,1218 3.243,1219 3.242,1220 4.24,1221 3.224,1222 3.32,1223 3.367,1224 3.164,1225 3.085,1226 4.084,1227 3.101,1228 3.136,1229 3.213,1230 2.966,1231 2.935,1232 3.95,1233 2.947,1234 3.076,1235 3.183,1236 2.819,1237 2.881,1238 3.714,1239 2.852,1240 2.819,1241 2.897,1242 2.595,1243 2.644,1244 3.634,1245 2.62,1246 0.199,1247 0.162,1248 0.331,1249 0.195,1250 0.154,1251 4.78,1252 0.173,1253 3.899,1254 0.091,1255 7.933,1256 0.623,1257 4.675,1258 0.152,1259 3.685,1260 4.16,1261 2.186,1262 14.943,1263 3.652,1264 1.911,1265 1.893,1266 2.013,1267 1.996,1268 1.312,1269 2,1270 1.677,1271 1.623,1272 1.923,1273 1.87,1274 1.218,1275 1.886,1276 1.643,1277 1.569,1278 1.892,1279 1.858,1280 1.157,1281 1.874,1282 1.589,1283 1.517,1284 1.842,1285 1.762,1286 1.071,1287 1.793,1288 1.287,1289 1.222,1290 1.606,1291 1.545,1292 0.828,1293 1.551,1294 1.187,1295 1.126,1296 1.471,1297 1.476,1298 0.598,1299 1.492,1300 1.066,1301 0.978,1302 1.432,1303 1.31,1304 0.528,1305 1.359,1306 0.806,1307 0.74,1308 1.128,1309 1.112,1310 0.3,1311 1.121,1312 3.892,1314 5.242,1315 3.045,1316 6.797,1317 5.587,1318 8.457,1319 7.832,1320 10.183,1322 6.623,1328 6.128,1329 2.751,1330 5.425,1332 0.594,1333 2.578,1334 0.199,1340 27.794,1341 66.808,1342 146.951,1343 209.284,1344 241.814,1345 241.814,1346 241.814,1347 34.861,1348 7.085,1349 41.57,1350 41.57,1351 16,1352 12.686,1353 3,1354 2.322,1355 34.568,1356 71,1357 90,1358 0.249,1359 171.124,1360 301,1361 409.302,1362 9761,1364 15.742,1365 0.716,1366 0.628,1367 15.742,1368 13.816,1369 10.58,1370 0.441,1371 0.351,1372 8.321,1373 10.211,1374 8.032,1375 6.694,1376 10.58,1377 8.413,1378 9.584,1379 0.274,1380 0.19,1381 9.584,1382 6.651,1383 8.286,1384 0.169,1385 0.109,1386 8.286,1387 5.341,1388 7.022,1389 0.103,1390 0.06,1391 7.022,1392 4.055,1393 5.699,1394 0.067,1395 0.034,1396 5.699,1397 2.873,1398 0.383,1399 65.902,1400 0.253,1401 21.516,1402 0.701,1403 118,1404 285.449,1405 128.889,1406 272.254,1407 377.89,1408 256,1409 143,1410 285.064,1411 152.812,1412 286.007,1413 424.95,1414 270,1415 6.812}
{0 CHEMBL1085128,1 1.37,2 11.556,3 4.583,4 21.005,5 107.957,6 6.628,7 0.4,8 4.083,9 4.208,10 3.561,11 3.638,12 5.058,13 3.59,14 4.673,15 4.86,16 3.967,17 4.079,18 5.626,19 4.007,20 4.972,21 5.189,22 4.02,23 4.275,24 5.806,25 4.166,26 5.1,27 5.34,28 3.937,29 4.288,30 5.956,31 4.138,32 5.124,33 5.41,34 3.815,35 4.132,36 5.989,37 3.979,38 4.851,39 5.105,40 3.64,41 3.903,42 5.779,43 3.779,44 4.626,45 4.866,46 3.571,47 3.767,48 5.604,49 3.66,50 4.56,51 4.792,52 3.427,53 3.694,54 5.587,55 3.584,56 0.048,57 0.767,58 12.792,59 5.482,60 8.872,61 7.543,62 0.356,63 1.308,64 24.131,65 9.306,66 34.225,67 13.259,68 0.261,69 1.688,70 32.785,71 12.487,72 30.051,73 17.763,74 0.251,75 1.819,76 37.452,77 14.479,78 41.369,79 20.588,80 0.392,81 1.708,82 39.687,83 13.799,84 59.934,85 19.794,86 0.426,87 1.277,88 30.439,89 10.455,90 50.005,91 14.423,92 0.216,93 1.076,94 23.739,95 8.609,96 33.785,97 11.99,98 0.407,99 1.019,100 22.764,101 7.395,102 48.632,103 10.294,104 18,105 44,106 0.227,107 0.537,108 0.736,109 0.852,110 0.869,111 0.869,112 3.34,113 0.992,114 -4.81,115 -4.72,116 -4.43,121 41.8,122 3,123 2,125 1,127 2,129 2,144 8,145 3,146 1,161 1,176 14,179 1,180 6,183 2,185 2,187 19,192 5,197 2,200 16,206 10,211 4,214 8,219 10,224 3,227 6,231 1,232 6,237 2,239 6,244 5,249 3,251 9,255 1,256 1,259 1,264 12,277 16,281 1072,282 18.212,283 18.212,284 18.212,285 18.212,286 18.212,287 16.645,288 25.251,289 10.506,290 18.527,291 14.731,292 14.731,293 14.731,294 14.731,295 14.731,296 12.34,297 34.506,298 4.892,299 15.188,300 4.412,301 2.549,302 1.346,303 0.65,304 0.55,305 0.55,306 4.033,311 1,312 1,313 683,314 3.873,317 108.495,318 153.93,320 87.53,321 92.967,324 130.475,325 1.679,326 18.578,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 57,338 312,339 4.78,340 3.899,341 7.933,342 4.675,343 3.685,344 4.16,345 2.187,346 14.943,347 3.652,348 4.078,349 3.684,350 6.169,351 3.803,352 2.829,353 3.545,354 0.8,355 8.737,356 2.76,357 3.971,358 3.029,359 6.043,360 3.632,361 2.67,362 3.312,363 0.599,364 8.631,365 2.566,366 3.654,367 2.853,368 5.669,369 3.328,370 2.391,371 2.879,372 0.232,373 7.452,374 2.225,375 3.355,376 2.589,377 5.4,378 3.202,379 2.229,380 2.549,382 6.985,383 2.153,384 3.305,385 2.392,386 4.835,387 2.95,388 1.972,389 2.388,391 5.494,392 1.915,393 3.048,394 1.857,395 4.666,396 2.65,397 1.656,398 2.217,400 4.088,401 1.638,402 2.612,403 1.52,404 4.153,405 2.328,406 1.35,407 1.646,409 3.727,410 1.317,411 2.5,412 1.189,413 4.105,414 2.113,415 1.121,416 1.5,418 2.988,419 1.111,420 2.34,421 1.167,422 3.429,423 2,424 1.007,425 1.3,427 2.41,428 1,429 2.285,430 1,431 3.325,432 1.992,433 1,434 1.255,436 2.136,437 0.988,438 1.733,439 0.885,440 3.247,441 1.651,442 0.671,443 0.702,445 1.37,446 0.656,447 1.392,448 0.724,449 2.918,450 1.192,451 0.228,452 0.251,454 0.455,455 0.218,456 0.961,457 0.355,458 2.788,459 0.764,460 -0.175,461 -0.188,463 -0.411,464 -0.163,465 0.833,466 0.087,467 2.684,468 0.506,469 -0.494,470 -0.557,472 -1.191,473 -0.483,474 12.967,475 0.48,476 0.75,477 0.028,478 31,479 1.148,480 14,481 0.519,482 17,483 0.63,484 26.812,485 0.993,486 29.633,487 0.539,488 21.6,489 0.8,490 5.683,491 0.21,492 7.325,493 0.271,494 0.141,495 0.039,496 0.301,501 0.777,502 1.296,503 0.889,504 1.135,505 0.634,506 1.037,507 0.618,508 1.029,509 0.872,510 0.949,511 0.402,512 0.931,513 1.046,514 1.081,515 1.072,516 1.054,517 0.725,518 1.056,519 0.917,520 1.245,521 1.107,522 1.249,523 0.818,524 1.206,525 1.293,526 0.922,527 0.913,528 0.905,529 1.304,530 0.875,531 1.845,532 0.853,533 1.057,534 0.876,535 1.569,536 0.891,537 1.436,538 1.085,539 0.947,540 1.017,541 1.626,542 0.951,543 2.095,544 0.776,545 1.279,546 0.823,547 2.835,548 0.944,549 6.5,550 0.159,551 4,552 2.833,553 1.557,554 0.872,555 0.58,556 0.346,557 0.256,558 0.227,559 9279,560 18591,561 2.088,562 50.9,563 3,564 14,567 1,569 10,572 1.698,573 1.94,574 3.466,575 -0.419,582 75.327,583 1.37,584 3.232,585 4.435,586 5.131,587 5.231,588 5.231,589 2.911,590 4.385,591 4.727,592 3.622,593 1271.3,594 8.188,595 16327.1,597 1,600 317.975,601 1.596,602 4.673,603 0.217,604 0.008,605 0.091,606 0.063,607 0.041,608 0.026,609 0.021,610 0.013,611 0.011,612 0.01,613 0.5,614 0.33,615 1,616 0.76,617 134.357,618 0.007,619 -0.097,620 0.067,621 -0.022,622 -0.037,623 0.021,624 0.314,625 0.106,626 0.108,627 0.085,628 0.243,629 0.077,630 -0.103,631 -0.008,632 -0.094,633 -0.044,634 -0.037,635 -0.062,636 -0.021,637 -0.247,638 -0.138,639 -0.248,640 0.037,641 -0.212,642 -0.022,643 -0.009,644 0.101,645 0.029,646 0.017,647 0.073,648 -0.099,649 0.064,650 -0.002,651 0.068,652 -0.084,653 0.045,654 -0.029,655 -0.131,656 0.074,657 -0.04,658 -0.019,659 0.016,660 -0.224,661 0.24,662 -0.206,663 0.105,664 -0.356,665 -0.029,666 2.076,667 5.361,668 0.667,669 24.412,670 0.988,671 1.124,672 3.581,673 12.823,674 0.651,675 3.434,676 3.807,677 4.127,678 4.431,679 4.635,680 4.718,681 4.883,682 4.956,683 4.99,684 5.037,685 6.629,686 0.606,687 364.53,688 3.434,689 5.004,690 5.883,691 6.797,692 7.7,693 8.624,694 9.541,695 10.471,696 11.397,697 12.332,698 3.6,701 1,705 1,715 8,720 4,722 12,737 1,741 55,743 13,744 2,745 30,747 58,748 23,749 12,750 4,751 8,756 4,757 7,763 3,764 1,766 1,767 3,770 4,772 13,773 10,777 1,782 1,786 1,790 1,793 28,794 4,795 1,796 4,802 2,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 3,868 27,876 4,877 1,878 1,880 2,881 1,882 1,893 3.6,896 1,898 1,901 13.917,902 10.617,903 5.875,904 3.635,907 2.063,908 1.269,909 0.958,910 4.896,911 9.731,912 3.638,913 4.19,914 4.7,915 5.223,916 5.699,917 5.827,918 6.175,919 6.406,920 6.537,921 6.675,922 0.875,923 45,924 10.046,926 4.312,927 0.026,929 7.546,931 19.796,933 17.009,936 2.046,937 55.25,939 1,940 1,941 317.82,942 133.129,943 21.135,945 36.145,948 133.129,949 353.965,950 21.135,951 26.476,952 27.291,953 75.81,954 25.145,955 28.924,956 6.763,957 317.82,959 317.82,960 154.264,961 36.145,964 200.109,965 153.856,968 56.891,969 97.373,972 317.82,973 57.28,974 133.129,977 317.82,978 30.843,979 105.41,980 18.011,981 36.145,982 317.82,983 57.28,984 133.129,986 0.59,987 0.357,988 0.197,989 0.104,990 23,991 10,992 0.086,993 5,994 2,995 1.222,996 3.873,997 236.297,998 0.222,999 18,1000 124.382,1005 18.367,1006 7.197,1007 3.337,1009 57.28,1010 16.052,1015 4.434,1017 18.011,1018 508.228,1019 37,1024 12.361,1028 -0.41,1031 54.345,1032 61.813,1034 0.237,1035 0.559,1036 0.767,1037 0.887,1038 0.905,1039 0.905,1040 4.92,1041 1.35,1042 5.916,1043 4.088,1044 4.489,1045 4.875,1046 2.401,1047 6.832,1048 4.434,1049 6.124,1050 1.121,1051 7.547,1052 3.727,1053 4.29,1054 4.691,1055 1.847,1056 8.176,1057 4.222,1058 7.449,1059 1.007,1060 9.299,1061 2.988,1062 6.217,1063 6.965,1064 3.514,1065 11.32,1066 6.121,1067 8.812,1068 1,1069 11.13,1070 2.41,1071 6.878,1072 7.559,1073 3.598,1074 13.584,1075 6.784,1076 10.213,1077 0.671,1078 13.018,1079 2.136,1080 8.337,1081 9.366,1082 4.911,1083 16.381,1084 8.226,1085 11.642,1086 0.228,1087 14.948,1088 1.37,1089 9.374,1090 10.328,1091 5.292,1092 18.957,1093 9.269,1094 13.093,1095 -0.175,1096 16.912,1097 0.455,1098 10.694,1099 11.938,1100 6.39,1101 21.681,1102 10.581,1103 3.685,1104 -0.494,1105 18.9,1106 -0.411,1107 11.888,1108 13.097,1109 6.934,1110 24.348,1111 11.776,1112 2.829,1113 14.943,1114 20.908,1115 -1.191,1116 13.178,1117 14.611,1118 7.906,1119 27.057,1120 13.061,1121 2.67,1122 8.737,1123 22.932,1124 4.16,1125 14.434,1126 15.88,1127 8.544,1128 29.75,1129 14.314,1130 2.391,1131 8.631,1132 24.966,1133 3.545,1134 15.723,1135 17.346,1136 9.44,1137 32.456,1138 15.598,1139 2.229,1140 7.452,1141 27.01,1142 3.312,1143 17.005,1144 18.679,1145 10.136,1146 35.157,1147 16.875,1148 1.972,1149 6.985,1150 29.06,1151 2.879,1152 18.299,1153 20.12,1154 10.987,1155 37.861,1156 18.162,1157 1.656,1158 5.494,1159 31.116,1160 2.549,1161 19.592,1162 21.491,1163 11.717,1164 40.564,1165 19.448,1166 8795,1167 12590,1168 19.879,1169 35.819,1170 46.038,1171 46.666,1172 47.549,1173 45.64,1174 45.62,1175 55.406,1176 7.636,1177 138.833,1178 44.399,1179 5.743,1180 5.899,1181 7.735,1182 5.761,1183 5.685,1184 7.16,1185 3.89,1186 23.402,1187 5.652,1188 13.183,1189 1.535,1190 1.556,1191 1.585,1192 1.521,1193 1.521,1194 1.847,1195 0.255,1196 4.628,1197 1.48,1198 4.101,1199 4.133,1200 4.039,1201 4.029,1202 7.435,1203 4.027,1204 3.928,1205 3.963,1206 3.855,1207 3.863,1208 4.826,1209 3.856,1210 3.719,1211 3.762,1212 3.636,1213 3.578,1214 4.75,1215 3.582,1216 3.531,1217 3.587,1218 3.437,1219 3.324,1220 4.417,1221 3.335,1222 3.401,1223 3.483,1224 3.206,1225 3.238,1226 4.201,1227 3.218,1228 3.24,1229 3.287,1230 3.097,1231 3.062,1232 4.055,1233 3.06,1234 3.088,1235 3.184,1236 2.932,1237 2.881,1238 3.942,1239 2.872,1240 3.076,1241 3.146,1242 2.819,1243 2.833,1244 3.674,1245 2.852,1246 0.159,1247 0.13,1248 0.264,1249 0.156,1250 0.123,1251 4.78,1252 0.139,1253 3.899,1254 0.073,1255 7.933,1256 0.498,1257 4.675,1258 0.122,1259 3.685,1260 4.16,1261 2.187,1262 14.943,1263 3.652,1264 1.925,1265 1.9,1266 2.053,1267 2.024,1268 1.312,1269 2.033,1270 1.907,1271 1.885,1272 2.012,1273 1.983,1274 1.219,1275 1.994,1276 1.677,1277 1.623,1278 1.892,1279 1.863,1280 1.193,1281 1.876,1282 1.591,1283 1.52,1284 1.843,1285 1.769,1286 1.071,1287 1.796,1288 1.475,1289 1.413,1290 1.732,1291 1.702,1292 0.834,1293 1.708,1294 1.28,1295 1.205,1296 1.606,1297 1.501,1298 0.827,1299 1.542,1300 1.125,1301 1.07,1302 1.454,1303 1.409,1304 0.597,1305 1.406,1306 0.988,1307 0.925,1308 1.244,1309 1.281,1310 0.302,1311 1.307,1312 4.111,1314 5.468,1315 3.045,1316 7.024,1317 5.587,1318 8.673,1319 7.832,1320 10.38,1322 6.56,1328 4.505,1329 2.915,1330 5.615,1332 0.475,1333 2.578,1334 0.165,1340 33.321,1341 75.327,1342 177.754,1343 243.936,1344 282.2,1345 287.71,1346 287.71,1347 42.793,1348 7.668,1349 41.57,1350 41.57,1351 22,1352 12.833,1353 3.807,1354 3,1355 40.428,1356 108,1357 106,1358 0.184,1359 202.91,1360 356.32,1361 486.86,1362 22672,1364 19.018,1365 0.704,1366 0.606,1367 19.018,1368 16.366,1369 13.008,1370 0.434,1371 0.331,1372 9.828,1373 12.643,1374 9.489,1375 7.872,1376 13.008,1377 9.918,1378 12.053,1379 0.274,1380 0.182,1381 12.053,1382 8.001,1383 10.464,1384 0.172,1385 0.106,1386 10.464,1387 6.455,1388 8.978,1389 0.108,1390 0.058,1391 8.978,1392 4.824,1393 7.035,1394 0.069,1395 0.033,1396 7.035,1397 3.321,1398 0.291,1399 80.426,1400 0.224,1401 26.007,1402 0.496,1403 148,1404 347.449,1405 159.222,1406 337.851,1407 472.5,1408 318,1409 179,1410 358.346,1411 189.145,1412 363.06,1413 536.14,1414 343,1415 5.876}
{0 CHEMBL1085129,1 1.456,2 17.588,3 5.161,4 26.636,5 133.105,6 6.862,7 0.333,8 4.285,9 4.401,10 3.77,11 3.774,12 5.337,13 3.747,14 4.841,15 5.025,16 4.064,17 4.128,18 5.883,19 4.071,20 5.092,21 5.316,22 4.09,23 4.247,24 6.036,25 4.159,26 5.133,27 5.38,28 4.035,29 4.203,30 6.117,31 4.097,32 5.051,33 5.29,34 3.917,35 4.146,36 5.993,37 4.032,38 5.043,39 5.297,40 3.865,41 4.085,42 5.959,43 3.968,44 4.946,45 5.181,46 3.8,47 4.043,48 5.873,49 3.932,50 4.909,51 5.135,52 3.799,53 4.038,54 5.86,55 3.925,56 0.011,57 0.913,58 15.292,59 6.634,60 8.473,61 8.775,62 0.405,63 1.432,64 28.749,65 10.468,66 41.431,67 14.45,68 0.369,69 1.697,70 37.954,71 13.388,72 49.308,73 18.589,74 0.695,75 1.705,76 40.512,77 13.331,78 75.751,79 19.073,80 0.45,81 1.6,82 36.87,83 12.488,84 60.254,85 17.712,86 0.544,87 1.541,88 37.104,89 12.097,90 65.544,91 17.359,92 0.536,93 1.441,94 33.478,95 10.97,96 56.95,97 15.42,98 0.391,99 1.395,100 31.727,101 11.14,102 50.662,103 15.532,104 25,105 46,106 0.231,107 0.544,108 0.783,109 0.888,110 0.902,111 0.902,112 3.559,113 0.994,114 -4.09,115 -4.04,116 -3.82,121 39.7,122 1,123 5,126 1,127 4,137 1,139 1,144 7,145 2,146 3,159 1,161 1,176 10,179 1,180 12,183 2,185 1,187 11,192 7,197 1,200 6,205 3,206 10,211 3,214 6,218 1,219 5,224 3,227 3,231 1,232 8,237 2,239 4,243 1,244 6,247 1,251 5,255 1,256 5,264 8,268 1,269 3,274 1,277 10,281 2484,282 23.129,283 23.129,284 23.129,285 23.129,286 23.129,287 21.252,288 29.054,289 14.447,290 23.65,291 17.803,292 17.803,293 17.803,294 17.803,295 17.803,296 14.814,297 37.656,298 6.921,299 18.59,300 4.632,301 2.656,302 1.153,303 0.493,304 0.405,305 0.405,306 4.246,312 1,313 1255,314 4.583,318 358.228,322 188.678,325 3.059,326 33.209,329 1,330 0.67,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.83,337 74,338 598,339 4.4,340 3.665,341 6.47,342 4.024,343 3.037,344 4.038,345 2.186,346 10.029,347 3.001,348 4.105,349 3.561,350 5.683,351 3.724,352 2.762,353 3.688,354 0.916,355 8.002,356 2.661,357 3.75,358 2.99,359 5.382,360 3.398,361 2.466,362 3.115,363 0.86,364 6.998,365 2.301,366 3.683,367 2.964,368 5.298,369 3.357,370 2.4,371 2.895,372 0.86,373 6.85,374 2.272,375 3.387,376 2.653,377 4.906,378 3.141,379 2.188,380 2.526,381 0.366,382 5.696,383 2.068,384 3.217,385 2.613,386 4.884,387 2.847,388 1.883,389 2.385,390 0.172,391 5.369,392 1.81,393 3.084,394 2.169,395 4.611,396 2.809,397 1.845,398 2.17,400 4.929,401 1.762,402 3,403 1.884,404 4.106,405 2.723,406 1.733,407 2.093,409 3.69,410 1.703,411 2.797,412 1.875,413 3.773,414 2.485,415 1.54,416 1.799,418 3.494,419 1.444,420 2.662,421 1.591,422 3.575,423 2.308,424 1.349,425 1.729,427 2.919,428 1.287,429 2.512,430 1.461,431 3.484,432 2.223,433 1.241,434 1.447,436 2.61,437 1.213,438 2.389,439 1.308,440 3.352,441 2.156,442 1.162,443 1.304,445 2.282,446 1.152,447 2.278,448 1.274,449 3.237,450 1.909,451 0.931,452 1.26,454 2.117,455 0.899,456 1.576,457 0.825,458 2.982,459 1.496,460 0.526,461 0.54,463 0.995,464 0.507,465 1.549,466 0.766,467 2.751,468 1.347,469 0.429,470 0.461,472 0.914,473 0.389,474 15.967,475 0.47,476 0.626,477 0.018,478 39.25,479 1.154,480 18,481 0.529,482 21.25,483 0.625,484 31.207,485 0.918,486 38.633,487 0.568,488 30.651,489 0.901,490 7.685,491 0.226,492 8.861,493 0.261,494 0.104,496 0.244,501 0.78,502 1.417,503 0.859,504 1.269,505 0.579,506 1.103,507 0.872,508 1.07,509 0.956,510 1.06,511 0.531,512 1.017,513 1.088,514 1.069,515 0.965,516 1.038,517 0.832,518 0.989,519 0.953,520 0.948,521 0.918,522 0.921,523 0.932,524 0.912,525 1.068,526 1.076,527 1.044,528 1.052,529 1.142,530 1.044,531 1.064,532 0.99,533 0.966,534 0.938,535 0.87,536 0.935,537 1.251,538 0.921,539 1.139,540 0.949,541 1.148,542 1.009,543 1.093,544 1.107,545 1.088,546 1.098,547 1.082,548 1.097,549 6,550 0.174,551 2.444,552 2,553 1.369,554 0.694,555 0.526,556 0.33,557 0.267,558 0.178,559 20412,560 51047,561 2.028,562 50,563 9,564 19,565 1,567 1,569 2,570 2,572 1.752,573 1.925,574 4.067,575 -0.392,582 98.982,583 1.456,584 3.432,585 4.935,586 5.595,587 5.683,588 5.683,589 3.557,590 4.793,591 5.055,592 4.275,593 2398.48,594 8.823,595 41858.1,600 413.947,601 1.261,602 5.03,603 0.167,604 0.006,605 0.053,606 0.043,607 0.033,608 0.019,609 0.015,610 0.01,611 0.008,612 0.006,613 0.359,614 0.33,615 0.75,616 1.71,617 190.732,618 -0.012,619 -0.177,620 0.054,621 -0.104,622 -0.007,623 -0.027,624 0.096,625 0.058,626 0.014,627 -0.021,628 0.147,629 -0.014,630 -0.075,631 -0.062,632 0.019,633 -0.033,634 -0.002,635 0.004,636 0.095,637 0.024,638 0.083,639 0.039,640 0.076,641 0.057,642 -0.063,643 -0.084,644 -0.055,645 -0.075,646 -0.094,647 -0.066,648 -0.016,649 -0.035,650 0.035,651 0.015,652 0.002,653 0.031,654 -0.129,655 0.086,656 -0.131,657 0.011,658 -0.144,659 -0.051,660 -0.075,661 -0.111,662 -0.104,663 -0.099,664 -0.084,665 -0.108,666 2.077,667 4.98,668 0.471,669 49.654,670 1,671 1.128,672 2.861,673 8.188,674 0.639,675 3.611,676 3.85,677 4.025,678 4.234,679 4.394,680 4.407,681 4.431,682 4.489,683 4.454,684 4.394,685 10.053,686 0.604,687 466.63,688 3.611,689 5.106,690 5.905,691 6.739,692 7.556,693 8.4,694 9.226,695 10.076,696 10.908,697 11.762,698 2.9,701 1,705 1,715 7,720 5,722 12,727 1,737 1,739 2,741 68,743 15,744 2,745 36,747 70,748 27,749 12,750 5,751 7,752 3,756 3,757 4,763 1,770 5,772 16,773 11,777 3,782 2,784 2,786 2,793 34,794 7,795 1,796 7,802 2,808 0.667,809 5,829 3,833 1,849 1,855 1,859 2,864 2,868 34,876 9,877 1,878 3,881 1,893 7.4,896 2,898 3,901 17.667,902 12.533,903 7.806,904 4.421,907 2.67,908 1.351,909 0.937,910 10.612,911 10.275,912 3.829,913 4.29,914 4.741,915 5.239,916 5.701,917 5.853,918 6.032,919 6.241,920 6.251,921 6.175,922 0.917,923 46,924 12.608,926 5.129,927 0.026,929 7.74,931 24.248,933 19.056,936 2.24,937 76.167,941 388.446,942 162.145,943 21.135,945 83.29,948 162.145,949 471.736,950 21.135,951 17.222,952 53.127,953 75.81,954 55.423,955 58.225,956 18.534,957 376.675,959 388.446,960 183.28,961 83.29,964 341.362,965 130.374,968 53.542,969 120.262,970 9.476,972 388.446,973 104.425,974 162.145,977 388.446,978 57.58,979 107.69,980 18.011,981 83.29,982 388.446,983 104.425,984 162.145,986 0.556,987 0.306,988 0.163,989 0.086,990 17,991 8,992 0.2,993 14,994 1,995 1.125,996 4.771,997 275.914,998 0.125,999 16,1000 172.974,1005 25.951,1006 13.903,1007 8.904,1009 104.425,1010 12.86,1015 3.363,1017 18.011,1018 655.016,1019 45,1024 23.768,1026 2.801,1028 -0.473,1031 67.978,1032 76.687,1034 0.239,1035 0.564,1036 0.811,1037 0.919,1038 0.934,1039 0.934,1040 5.03,1041 1.733,1042 5.838,1043 4.929,1044 4.533,1045 4.977,1046 2.639,1047 6.541,1048 4.452,1049 6.173,1050 1.54,1051 7.323,1052 3.69,1053 3.892,1054 4.59,1055 1.847,1056 7.209,1057 3.788,1058 7.429,1059 1.349,1060 8.907,1061 3.494,1062 6.014,1063 7.002,1064 3.582,1065 10.292,1066 5.863,1067 8.719,1068 1.241,1069 10.553,1070 2.919,1071 6.196,1072 7.446,1073 3.603,1074 11.838,1075 6.035,1076 10.043,1077 1.162,1078 12.239,1079 2.61,1080 7.751,1081 9.335,1082 4.922,1083 14.416,1084 7.551,1085 11.391,1086 0.931,1087 13.956,1088 2.282,1089 8.363,1090 10.198,1091 5.291,1092 16.366,1093 8.162,1094 12.759,1095 0.526,1096 15.696,1097 2.117,1098 9.657,1099 11.846,1100 6.39,1101 18.761,1102 9.426,1103 3.037,1104 0.429,1105 17.455,1106 0.995,1107 10.498,1108 12.934,1109 6.93,1110 20.901,1111 10.27,1112 2.762,1113 10.029,1114 19.23,1115 0.914,1116 11.671,1117 14.46,1118 7.902,1119 23.23,1120 11.423,1121 2.466,1122 8.002,1123 21.017,1124 4.038,1125 12.633,1126 15.673,1127 8.539,1128 25.457,1129 12.387,1130 2.4,1131 6.998,1132 22.816,1133 3.688,1134 13.753,1135 17.134,1136 9.436,1137 27.765,1138 13.493,1139 2.188,1140 6.85,1141 24.625,1142 3.115,1143 14.779,1144 18.418,1145 10.13,1146 30.032,1147 14.517,1148 1.883,1149 5.696,1150 26.442,1151 2.895,1152 15.878,1153 19.843,1154 10.981,1155 32.334,1156 15.607,1157 1.845,1158 5.369,1159 28.266,1160 2.526,1161 16.937,1162 21.169,1163 11.71,1164 34.62,1165 16.662,1166 19891,1167 31777,1168 24.038,1169 43.466,1170 51.436,1171 53.583,1172 52.354,1173 50.978,1174 50.983,1175 62.902,1176 10.723,1177 133.787,1178 48.938,1179 5.34,1180 5.665,1181 6.423,1182 5.111,1183 5.037,1184 7.038,1185 3.889,1186 16.774,1187 5.001,1188 16.556,1189 1.429,1190 1.488,1191 1.454,1192 1.416,1193 1.416,1194 1.747,1195 0.298,1196 3.716,1197 1.359,1198 3.996,1199 4.011,1200 3.952,1201 3.9,1202 7.435,1203 3.909,1204 3.934,1205 3.955,1206 3.876,1207 3.852,1208 7.428,1209 3.853,1210 3.759,1211 3.827,1212 3.607,1213 3.622,1214 4.925,1215 3.605,1216 3.679,1217 3.739,1218 3.551,1219 3.495,1220 4.813,1221 3.498,1222 3.536,1223 3.601,1224 3.432,1225 3.35,1226 4.602,1227 3.36,1228 3.492,1229 3.523,1230 3.388,1231 3.313,1232 4.315,1233 3.315,1234 3.324,1235 3.392,1236 3.157,1237 3.129,1238 4.251,1239 3.128,1240 3.261,1241 3.317,1242 3.096,1243 2.998,1244 4.169,1245 3.026,1246 0.122,1247 0.102,1248 0.18,1249 0.112,1250 0.084,1251 4.4,1252 0.112,1253 3.665,1254 0.061,1255 6.47,1256 0.279,1257 4.024,1258 0.083,1259 3.037,1260 4.038,1261 2.186,1262 10.029,1263 3.001,1264 1.926,1265 1.917,1266 2.035,1267 2.042,1268 1.353,1269 2.035,1270 1.91,1271 1.885,1272 2.023,1273 2.02,1274 1.254,1275 2.017,1276 1.764,1277 1.698,1278 2.002,1279 1.939,1280 1.125,1281 1.969,1282 1.648,1283 1.585,1284 1.882,1285 1.855,1286 1.084,1287 1.865,1288 1.499,1289 1.427,1290 1.795,1291 1.742,1292 1.034,1293 1.758,1294 1.445,1295 1.414,1296 1.644,1297 1.641,1298 0.782,1299 1.638,1300 1.31,1301 1.237,1302 1.578,1303 1.527,1304 0.639,1305 1.549,1306 1.177,1307 1.123,1308 1.476,1309 1.48,1310 0.595,1311 1.477,1312 4.29,1314 5.549,1316 6.991,1318 8.529,1320 10.122,1322 4.204,1328 8.03,1329 2.804,1330 16.618,1333 2.19,1340 41.046,1341 98.982,1342 233.363,1343 335.567,1344 380.438,1345 386.438,1346 386.438,1347 76.904,1348 7.605,1349 81.01,1350 81.01,1351 18,1352 12.322,1353 4,1354 3.322,1355 68.021,1356 206,1357 230,1358 0.154,1359 254.807,1360 458.97,1361 613.488,1362 26624,1364 24.175,1365 0.711,1366 0.59,1367 24.175,1368 20.049,1369 16.546,1370 0.46,1371 0.331,1372 11.749,1373 15.837,1374 11.457,1375 9.61,1376 16.546,1377 11.924,1378 14.079,1379 0.306,1380 0.183,1381 14.079,1382 8.407,1383 10.838,1384 0.197,1385 0.099,1386 10.838,1387 5.447,1388 8.87,1389 0.13,1390 0.054,1391 8.87,1392 3.66,1393 6.706,1394 0.084,1395 0.028,1396 6.706,1397 2.278,1398 0.258,1399 104.215,1400 0.204,1401 32.965,1402 0.381,1403 164,1404 516.656,1405 183.412,1406 482.5,1407 646.51,1408 452,1409 183,1410 462.814,1411 201.116,1412 462.237,1413 669.01,1414 433,1415 7.678}
{0 CHEMBL1085274,1 1.343,2 10.143,3 3.484,4 12.138,5 89.013,6 6.568,7 0.522,8 3.836,9 3.982,10 3.31,11 3.367,12 4.812,13 3.318,14 4.392,15 4.602,16 3.608,17 3.748,18 5.263,19 3.666,20 4.665,21 4.936,22 3.583,23 3.849,24 5.446,25 3.72,26 4.638,27 4.913,28 3.435,29 3.781,30 5.411,31 3.626,32 4.64,33 4.955,34 3.302,35 3.672,36 5.378,37 3.499,38 4.403,39 4.715,40 3.212,41 3.466,42 5.167,43 3.327,44 4.124,45 4.38,46 3.065,47 3.32,48 4.992,49 3.205,50 4.074,51 4.347,52 2.819,53 3.243,54 4.866,55 3.083,56 0.073,57 0.658,58 10.119,59 3.896,60 8.787,61 5.739,62 0.154,63 1.048,64 18.228,65 6.228,66 15.298,67 9.582,68 0.265,69 1.235,70 24.466,71 7.935,72 22.688,73 12.397,74 0.19,75 1.171,76 23.702,77 7.785,78 21.813,79 12.248,80 0.246,81 1.097,82 24.094,83 7.522,84 26.403,85 12.007,86 0.202,87 0.886,88 19.013,89 5.749,90 20.023,91 9.276,92 0.143,93 0.735,94 14.214,95 4.148,96 16.087,97 6.768,98 0.13,99 0.66,100 13.443,101 4.347,102 15.986,103 6.826,104 3,105 30,106 0.237,107 0.541,108 0.732,109 0.852,110 0.863,111 0.863,112 3.102,113 1.009,114 -4.62,115 -4.54,116 -4.27,121 39.5,122 1,123 2,127 3,129 1,144 7,145 1,148 1,149 1,168 1,176 8,180 6,183 1,185 1,187 7,192 5,195 2,197 2,200 6,206 4,211 1,214 6,218 1,219 5,224 2,227 4,231 1,232 4,237 2,239 3,244 2,249 2,251 2,256 2,261 1,264 2,269 2,277 3,281 549,282 14.715,283 14.715,284 14.715,285 14.715,286 14.715,287 13.303,288 15.54,289 8.916,290 14.994,291 11.303,292 11.303,293 11.303,294 11.303,295 11.303,296 9.276,297 23.839,298 4.141,299 11.716,300 4.084,301 2.357,302 1.271,303 0.593,304 0.529,305 0.529,306 3.788,310 1,311 1,312 1,313 460,314 2.345,317 64.581,318 142.444,325 1.755,326 8.89,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 44,338 213,339 4.244,340 3.122,341 6.147,342 3.856,343 2.885,344 3.889,345 0.8,346 9.06,347 2.818,348 3.885,349 2.881,350 6.139,351 3.8,352 2.848,353 3.304,354 0.4,355 9.017,356 2.695,357 3.767,358 2.552,359 5.325,360 3.37,361 2.419,362 2.856,364 6.909,365 2.298,366 3.265,367 1.874,368 4.456,369 2.806,370 1.828,371 2.58,373 4.538,374 1.784,375 2.668,376 1.682,377 4.324,378 2.485,379 1.529,380 1.733,382 4.034,383 1.458,384 2.526,385 1.294,386 3.517,387 2.212,388 1.229,389 1.528,391 2.73,392 1.207,393 2.5,394 1.172,395 3.466,396 2.129,397 1.143,398 1.5,400 2.542,401 1.125,402 2.5,403 1,404 3.414,405 2,406 1,407 1.5,409 2.275,410 1,411 2.212,412 1,413 3.247,414 1.983,415 1,416 1.209,418 2.136,419 0.982,420 1.644,421 0.733,422 3.098,423 1.477,424 0.534,425 0.577,427 1.277,428 0.502,429 1.294,430 0.411,431 2.563,432 1.259,433 0.288,434 0.289,436 0.417,437 0.279,438 0.996,439 -0.207,440 2.427,441 0.686,442 -0.295,443 -0.357,445 -0.679,446 -0.289,447 0.604,448 -0.708,449 2.095,450 0.227,451 -0.756,452 -0.885,454 -1.703,455 -0.741,456 0.5,457 -0.925,458 2,460 -1,461 -1.222,463 -2.111,464 -0.949,465 0.5,466 -1,467 1.555,468 -0.021,469 -1,470 -1.5,472 -2.347,473 -0.977,474 10.1,475 0.481,476 0.307,477 0.015,478 25.75,479 1.226,480 12.5,481 0.595,482 13.25,483 0.631,484 16.113,485 0.767,486 22.9,487 0.533,488 15.345,489 0.731,490 4.921,491 0.234,492 5.444,493 0.259,494 0.05,496 0.238,501 0.831,502 1.343,503 0.91,504 1.154,505 0.768,506 1.058,507 1.15,508 1.249,509 1.021,510 1.098,511 0.763,512 1.055,513 1.181,514 0.938,515 1.011,516 0.923,517 0.804,518 0.946,519 1.152,520 1.16,521 1.081,522 1.099,523 1.101,524 1.086,525 1.115,526 0.862,527 0.912,528 0.825,529 1.116,530 0.844,531 1.147,532 0.841,533 0.811,534 0.725,535 1.145,536 0.733,537 1.711,538 1.126,539 1.216,540 1.02,541 1.764,542 1.061,543 1.457,544 0.958,545 1.241,546 1.032,547 1.676,548 1.101,549 3,550 0.044,551 2.222,552 0.757,553 0.543,554 0.483,555 0.27,556 0.106,557 0.124,558 0.097,559 4974,560 9680,561 2.131,562 51.2,564 14,567 1,569 7,572 1.624,573 2.066,574 3.314,575 -0.338,577 1,579 1,582 57.735,583 1.343,584 3.069,585 4.155,586 4.833,587 4.897,588 4.897,589 2.72,590 3.785,591 4.365,592 3.476,593 730.024,594 7.438,595 8054.89,597 1,599 1,600 233.329,601 1.049,602 4.355,603 0.13,604 0.004,605 0.074,606 0.027,607 0.024,608 0.024,609 0.014,610 0.007,611 0.01,612 0.009,613 0.323,614 0.5,615 1,616 0.627,617 96.955,618 0.177,619 -0.095,620 0.072,621 -0.044,622 0.165,623 -0.004,624 0.008,625 -0.11,626 -0.026,627 -0.079,628 0.126,629 -0.06,630 0.003,631 0.082,632 -0.014,633 0.03,634 0.154,635 0.01,636 -0.091,637 -0.174,638 -0.097,639 -0.138,640 -0.025,641 -0.122,642 0.01,643 0.053,644 0.082,645 0.089,646 0.022,647 0.092,648 0.066,649 0.094,650 0.193,651 0.181,652 0.044,653 0.197,654 -0.292,655 -0.047,656 -0.198,657 -0.093,658 -0.35,659 -0.129,660 -0.3,661 0.054,662 -0.251,663 -0.081,664 -0.42,665 -0.148,666 0.808,667 1.307,668 0.81,669 18.136,670 0.985,671 1.133,672 3.387,673 11.47,674 0.648,675 3.178,676 3.434,677 3.689,678 3.871,679 3.97,680 3.932,681 4.007,682 4.043,683 4.127,684 4.205,685 6.051,686 0.601,687 282.43,688 3.178,689 4.673,690 5.501,691 6.34,692 7.18,693 8.023,694 8.866,695 9.71,696 10.554,697 11.399,698 9.3,701 1,703 1,708 2,715 7,716 2,720 3,722 12,734 1,741 43,743 12,744 1,745 23,747 45,748 17,749 10,750 1,751 5,756 3,757 3,763 1,767 3,770 3,772 10,773 7,789 1,790 1,793 22,794 4,795 1,796 4,802 4,808 1,821 1,825 1,828 1,829 2,855 1,859 3,864 1,868 21,876 5,877 1,880 1,881 1,901 10.167,902 7.767,903 4.806,904 2.879,907 2.169,908 1.327,909 0.972,910 4.588,911 8.808,912 3.401,913 3.892,914 4.407,915 4.894,916 5.39,917 5.472,918 5.862,919 6.134,920 6.409,921 6.638,922 0.857,923 28,924 7.758,926 3.175,927 0.026,929 7.421,931 15.423,933 12.617,936 1.921,937 40.333,938 0.001,940 1,941 247.193,942 94.815,943 54.461,948 94.815,949 247.193,950 54.461,951 8.825,952 11.386,953 66.334,954 51.337,955 9.067,956 2.328,957 247.193,959 247.193,960 149.276,964 164.795,965 82.398,968 26.092,969 71.847,970 51.337,972 247.193,973 54.461,974 94.815,977 247.193,978 19.656,979 78.283,980 18.011,981 33.326,982 247.193,983 54.461,984 94.815,986 0.561,987 0.335,988 0.179,989 0.086,990 14,991 5,992 0.111,993 5,995 1,996 3.526,997 151.825,999 17,1000 88.239,1005 14.183,1006 6.794,1007 3.466,1009 54.461,1010 14.181,1011 8.595,1015 2.874,1017 18.011,1018 396.47,1019 29,1031 42.36,1032 48.73,1034 0.247,1035 0.566,1036 0.766,1037 0.891,1038 0.902,1039 0.902,1040 4.595,1041 1,1042 5.434,1043 2.542,1044 4.111,1045 4.575,1046 0.824,1047 6.168,1048 4.041,1049 5.728,1050 1,1051 6.94,1052 2.275,1053 3.434,1054 3.98,1055 0.325,1056 6.934,1057 3.297,1058 6.98,1059 0.534,1060 8.549,1061 2.136,1062 5.624,1063 6.603,1064 0.413,1065 9.983,1066 5.476,1067 8.267,1068 0.288,1069 10.221,1070 1.277,1071 5.861,1072 6.874,1073 0.268,1074 11.625,1075 5.643,1076 9.589,1077 -0.295,1078 11.935,1079 0.417,1080 7.416,1081 8.921,1082 0.246,1083 14.128,1084 7.19,1085 10.933,1086 -0.756,1087 13.677,1088 -0.679,1089 8.073,1090 9.616,1091 0.188,1092 16.1,1093 7.785,1094 12.295,1095 -1,1096 15.438,1097 -1.703,1098 9.354,1099 11.384,1100 0.157,1101 18.414,1102 9.051,1103 2.885,1104 -1,1105 17.212,1106 -2.111,1107 10.212,1108 12.325,1109 0.125,1110 20.519,1111 9.856,1112 2.848,1113 9.06,1114 18.996,1115 -2.347,1116 11.367,1117 13.931,1118 0.102,1119 22.763,1120 10.991,1121 2.419,1122 9.017,1123 20.786,1124 3.889,1125 12.324,1126 15.025,1127 0.082,1128 24.922,1129 11.902,1130 1.828,1131 6.909,1132 22.581,1133 3.304,1134 13.422,1135 16.533,1136 0.067,1137 27.14,1138 12.974,1139 1.529,1140 4.538,1141 24.38,1142 2.856,1143 14.426,1144 17.725,1145 0.054,1146 29.323,1147 13.939,1148 1.229,1149 4.034,1150 26.182,1151 2.58,1152 15.498,1153 19.173,1154 0.043,1155 31.53,1156 14.983,1157 1.143,1158 2.73,1159 27.986,1160 1.733,1161 16.526,1162 20.427,1163 0.035,1164 33.723,1165 15.974,1166 4768,1167 6789,1168 15.89,1169 27.875,1170 33.273,1171 33.53,1172 34.093,1173 33.424,1174 33.406,1175 41.932,1176 2.4,1177 89.87,1178 32.294,1179 5.191,1180 5.122,1181 5.949,1182 4.905,1183 4.885,1184 6.889,1185 1.2,1186 15.131,1187 4.818,1188 5.944,1189 1.447,1190 1.458,1191 1.482,1192 1.453,1193 1.452,1194 1.823,1195 0.104,1196 3.907,1197 1.404,1198 3.986,1199 4.032,1200 3.931,1201 3.898,1202 5.054,1203 3.899,1204 3.884,1205 3.941,1206 3.773,1207 3.737,1208 4.702,1209 3.737,1210 3.71,1211 3.763,1212 3.639,1213 3.576,1214 4.393,1215 3.585,1216 3.387,1217 3.479,1218 3.169,1219 3.21,1220 4.062,1221 3.185,1222 3.257,1223 3.345,1224 3.088,1225 3.065,1226 3.894,1227 3.06,1228 2.902,1229 2.963,1230 2.773,1231 2.797,1232 3.877,1233 2.784,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 3.674,1239 2.715,1240 2.735,1241 2.852,1242 2.548,1243 2.502,1244 3.593,1245 2.482,1246 0.185,1247 0.136,1248 0.267,1249 0.168,1250 0.125,1251 4.244,1252 0.169,1253 3.122,1254 0.035,1255 6.147,1256 0.394,1257 3.856,1258 0.123,1259 2.885,1260 3.889,1261 0.8,1262 9.06,1263 2.818,1264 1.941,1265 1.912,1266 2.044,1267 2.046,1268 1.274,1269 2.043,1270 1.728,1271 1.672,1272 1.918,1273 1.912,1274 1.157,1275 1.919,1276 1.619,1277 1.558,1278 1.87,1279 1.82,1280 1.113,1281 1.834,1282 1.588,1283 1.516,1284 1.784,1285 1.756,1286 0.882,1287 1.779,1288 1.299,1289 1.21,1290 1.622,1291 1.53,1292 0.782,1293 1.568,1294 0.998,1295 0.93,1296 1.29,1297 1.254,1298 0.485,1299 1.272,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.811,1307 0.723,1308 1.098,1309 1.002,1310 0.216,1311 1.039,1312 3.85,1314 5.118,1315 2.398,1316 6.586,1317 4.595,1318 8.136,1319 6.555,1320 9.725,1322 2.229,1328 5.884,1329 3.414,1332 0.63,1333 2.527,1340 25.827,1341 57.735,1342 131.969,1343 178.658,1344 207.82,1345 210.574,1346 210.574,1347 24.485,1348 6.639,1349 41.05,1350 41.05,1351 17,1352 11.961,1353 3.7,1354 2.807,1355 32.475,1356 77,1357 63,1358 0.207,1359 161.273,1360 271.94,1361 385.266,1362 6435,1364 14.493,1365 0.69,1366 0.595,1367 14.493,1368 12.496,1369 10.365,1370 0.451,1371 0.336,1372 7.658,1373 10.057,1374 7.48,1375 6.232,1376 10.365,1377 7.736,1378 8.616,1379 0.287,1380 0.183,1381 8.616,1382 5.475,1383 7.494,1384 0.192,1385 0.107,1386 7.494,1387 4.158,1388 6.035,1389 0.128,1390 0.063,1391 6.035,1392 2.954,1393 4.411,1394 0.085,1395 0.033,1396 4.411,1397 1.693,1398 0.332,1399 64.124,1400 0.251,1401 21.312,1402 0.547,1403 106,1404 245.268,1405 113.632,1406 244.757,1407 345.99,1408 232,1409 122,1410 265.617,1411 130.465,1412 269.002,1413 388.56,1414 255,1415 4.208}
{0 CHEMBL1085275,1 1.334,2 12.48,3 4.304,4 18.521,5 104.977,6 7.031,7 0.643,8 3.938,9 4.071,10 3.478,11 3.526,12 4.966,13 3.485,14 4.466,15 4.652,16 3.781,17 3.912,18 5.406,19 3.841,20 4.737,21 4.972,22 3.798,23 4.04,24 5.588,25 3.925,26 4.768,27 5.033,28 3.61,29 3.955,30 5.556,31 3.803,32 4.708,33 5.005,34 3.463,35 3.804,36 5.475,37 3.647,38 4.483,39 4.771,40 3.319,41 3.617,42 5.258,43 3.472,44 4.289,45 4.549,46 3.255,47 3.496,48 5.125,49 3.378,50 4.247,51 4.507,52 3.199,53 3.468,54 5.097,55 3.346,56 0.071,57 0.704,58 10.117,59 4.22,60 8.82,61 5.895,62 0.152,63 1.149,64 18.284,65 6.882,66 15.533,67 9.876,68 0.23,69 1.423,70 25.176,71 9.383,72 23.025,73 13.63,74 0.193,75 1.408,76 26.684,77 9.69,78 24.14,79 14.311,80 0.255,81 1.302,82 26.057,83 8.763,84 27.704,85 13.178,86 0.193,87 1.048,88 20.55,89 7.081,90 20.591,91 10.585,92 0.14,93 0.892,94 16.477,95 5.54,96 16.37,97 8.287,98 0.14,99 0.852,100 15.792,101 5.345,102 17.332,103 7.967,105 37,106 0.227,107 0.517,108 0.68,109 0.83,110 0.872,111 0.879,112 3.266,113 0.943,114 -5.3,115 -5.19,116 -4.85,121 44.7,123 1,127 4,144 11,145 3,148 1,149 1,168 1,176 14,180 5,183 1,185 1,187 15,192 7,195 2,197 1,200 11,206 6,214 5,218 1,219 5,224 3,227 3,231 1,232 2,237 4,239 1,244 2,249 4,251 2,256 5,261 2,264 4,269 6,277 4,281 888,282 17.568,283 17.568,284 17.568,285 17.568,286 17.568,287 15.405,288 16.327,289 10.736,290 17.819,291 13.875,292 13.875,293 13.875,294 13.875,295 13.875,296 10.749,297 23.834,298 5.143,299 14.271,300 4.22,301 2.512,302 1.557,303 0.673,304 0.426,305 0.383,306 3.975,311 1,312 1,313 696,314 2.449,318 312.558,322 121.135,325 1.981,326 9.736,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 52,338 312,339 4.244,340 3.206,341 6.183,342 3.908,343 2.923,344 3.889,345 0.916,346 9.226,347 2.883,348 4.228,349 2.886,350 6.143,351 3.851,352 2.869,353 3.815,354 0.4,355 9.054,356 2.816,357 3.801,358 2.626,359 5.337,360 3.399,361 2.45,362 3.302,363 0.172,364 6.94,365 2.322,366 3.384,367 2.515,368 5.245,369 3.211,370 2.276,371 2.593,373 6.651,374 2.121,375 3.262,376 1.914,377 4.447,378 2.802,379 1.824,380 2.432,382 4.519,383 1.782,384 2.928,385 1.857,386 4.414,387 2.614,388 1.618,389 2.076,391 4.369,392 1.612,393 2.851,394 1.505,395 3.629,396 2.427,397 1.432,398 1.979,400 3.044,401 1.424,402 2.655,403 1.364,404 3.532,405 2.225,406 1.25,407 1.723,409 2.78,410 1.216,411 2.5,412 1.111,413 3.415,414 2.018,415 1.05,416 1.5,418 2.419,419 1.014,420 2.5,421 1,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.214,430 1,431 3.247,432 1.983,433 1,434 1.192,436 2.136,437 0.982,438 1.884,439 0.787,440 3.157,441 1.666,442 0.683,443 0.798,445 1.576,446 0.67,447 1.286,448 0.322,449 2.768,450 1.056,451 0.099,452 0.112,454 0.243,455 0.095,456 0.932,457 -0.187,458 2.376,459 0.64,460 -0.341,461 -0.409,463 -0.798,464 -0.333,465 0.692,466 -0.325,467 2.229,468 0.357,469 -0.618,470 -0.729,472 -1.474,473 -0.6,474 12.1,475 0.484,476 0.376,477 0.015,478 34.25,479 1.37,480 18.5,481 0.74,482 15.75,483 0.63,484 17.433,485 0.697,486 25.7,487 0.547,488 21.811,489 0.872,490 6.888,491 0.276,492 5.495,493 0.22,496 0.24,501 0.815,502 1.177,503 0.832,504 1.013,505 0.731,506 0.94,507 1.207,508 1.116,509 1.016,510 1.015,511 0.85,512 1.001,513 1.046,514 1.03,515 1.044,516 1.037,517 0.892,518 1.039,519 1.113,520 1.155,521 1.094,522 1.12,523 1.075,524 1.108,525 1.254,526 0.909,527 0.991,528 0.878,529 1.168,530 0.904,531 1.137,532 0.958,533 0.957,534 0.909,535 1.063,536 0.915,537 1.418,538 1.111,539 1.055,540 0.985,541 1.326,542 0.987,543 1.459,544 1.02,545 1.083,546 0.949,547 1.438,548 0.976,549 3.5,550 0.049,551 2.222,552 0.75,553 0.729,554 0.514,555 0.3,556 0.115,557 0.147,558 0.103,559 9094,560 19329,561 2.204,562 46.8,564 19,567 1,569 2,572 1.67,573 2.174,574 3.607,575 -0.396,577 1,582 62.72,583 1.334,584 3.042,585 3.998,586 4.882,587 5.129,588 5.172,589 3.083,590 4.164,591 4.618,592 3.766,593 1129.83,594 7.928,595 14620,597 1,599 1,600 261.066,601 0.795,602 4.619,603 0.125,604 0.003,605 0.06,606 0.021,607 0.026,608 0.021,609 0.014,610 0.006,611 0.008,612 0.006,613 0.29,614 0.33,615 1,617 124.409,618 0.167,619 -0.037,620 0.072,621 -0.009,622 0.152,623 0.017,624 -0.049,625 -0.013,626 -0.07,627 -0.047,628 0.025,629 -0.058,630 0.033,631 -0.009,632 -0.072,633 -0.068,634 0.052,635 -0.078,636 -0.072,637 -0.184,638 -0.106,639 -0.155,640 -0.053,641 -0.137,642 -0.029,643 0.053,644 0.034,645 0.061,646 -0.038,647 0.055,648 0.039,649 0.007,650 0.058,651 0.038,652 0.003,653 0.048,654 -0.131,655 -0.092,656 -0.05,657 -0.05,658 -0.165,659 -0.044,660 -0.188,662 -0.08,663 -0.011,664 -0.213,665 -0.031,666 0.836,667 1.318,668 0.88,669 24.384,670 0.986,671 1.122,672 4.074,673 16.599,674 0.678,675 3.367,676 3.638,677 3.892,678 4.111,679 4.344,680 4.29,681 4.369,682 4.407,683 4.477,684 4.454,685 7.287,686 0.635,687 330.47,688 3.367,689 4.875,690 5.707,691 6.553,692 7.396,693 8.245,694 9.092,695 9.943,696 10.791,697 11.642,698 8.5,701 1,703 1,708 2,715 11,716 2,720 5,722 18,734 1,741 47,743 18,744 2,745 28,747 50,748 21,749 16,750 3,751 9,756 4,757 5,767 1,770 1,772 16,773 5,790 1,793 22,794 4,795 1,796 4,802 4,808 0.75,821 1,829 4,833 1,855 1,859 3,868 25,876 5,877 1,881 1,901 11.5,902 8.267,903 5.556,904 2.891,907 3.188,908 1.432,909 1.018,910 4.825,911 10.573,912 3.638,913 4.182,914 4.725,915 5.244,916 5.772,917 5.792,918 6.122,919 6.366,920 6.604,921 6.746,922 1,923 36,924 9.218,926 3.836,927 0.026,929 7.433,931 18.228,933 15.051,936 1.933,937 48.333,940 1,941 247.193,942 129.837,943 54.461,948 129.837,949 247.193,950 54.461,952 10.957,953 104.239,954 51.337,955 15.438,956 2.328,957 247.193,959 247.193,960 184.299,964 223.651,965 23.542,968 16.838,969 116.123,970 51.337,972 247.193,973 54.461,974 129.837,977 247.193,978 25.599,979 107.363,980 18.011,981 33.326,982 247.193,983 54.461,984 129.837,986 0.566,987 0.328,988 0.178,989 0.099,990 18,991 6,992 0.1,993 5,994 1,995 1.091,996 4.015,997 197.052,998 0.091,999 22,1000 112.096,1005 15.952,1006 7.561,1007 3.93,1009 54.461,1010 22.89,1011 8.612,1015 5.777,1017 18.011,1018 431.492,1019 37,1031 46.36,1032 52.73,1034 0.24,1035 0.548,1036 0.72,1037 0.879,1038 0.923,1039 0.931,1040 4.832,1041 1.25,1042 5.638,1043 3.044,1044 4.317,1045 4.868,1046 1.038,1047 6.368,1048 4.264,1049 5.988,1050 1.05,1051 7.136,1052 2.78,1053 3.611,1054 4.311,1055 0.325,1056 7.081,1057 3.516,1058 7.25,1059 1,1060 8.734,1061 2.419,1062 5.826,1063 6.961,1064 0.697,1065 10.156,1066 5.72,1067 8.546,1068 1,1069 10.395,1070 2.275,1071 5.994,1072 7.264,1073 0.393,1074 11.74,1075 5.857,1076 9.876,1077 0.683,1078 12.096,1079 2.136,1080 7.598,1081 9.327,1082 0.537,1083 14.273,1084 7.451,1085 11.229,1086 0.099,1087 13.826,1088 1.576,1089 8.2,1090 10.065,1091 0.384,1092 16.212,1093 8.034,1094 12.602,1095 -0.341,1096 15.575,1097 0.243,1098 9.518,1099 11.83,1100 0.438,1101 18.548,1102 9.34,1103 2.923,1104 -0.618,1105 17.339,1106 -0.798,1107 10.344,1108 12.812,1109 0.351,1110 20.64,1111 10.153,1112 2.869,1113 9.226,1114 19.113,1115 -1.474,1116 11.524,1117 14.409,1118 0.366,1119 22.901,1120 11.32,1121 2.45,1122 9.054,1123 20.896,1124 3.889,1125 12.466,1126 15.534,1127 0.312,1128 25.059,1129 12.251,1130 2.276,1131 6.94,1132 22.684,1133 3.815,1134 13.581,1135 17.032,1136 0.309,1137 27.291,1138 13.353,1139 1.824,1140 6.651,1141 24.478,1142 3.302,1143 14.581,1144 18.244,1145 0.273,1146 29.479,1147 14.343,1148 1.618,1149 4.519,1150 26.275,1151 2.593,1152 15.666,1153 19.682,1154 0.262,1155 31.699,1156 15.415,1157 1.432,1158 4.369,1159 28.076,1160 2.432,1161 16.697,1162 20.947,1163 0.236,1164 33.901,1165 16.435,1166 8342,1167 12282,1168 19.761,1169 31.875,1170 41.187,1171 41.068,1172 41.148,1173 40.968,1174 40.947,1175 53.822,1176 2.978,1177 110.464,1178 39.872,1179 5.189,1180 5.206,1181 5.985,1182 4.954,1183 4.923,1184 6.889,1185 1.605,1186 15.535,1187 4.883,1189 1.471,1190 1.467,1191 1.47,1192 1.463,1193 1.462,1194 1.922,1195 0.106,1196 3.945,1197 1.424,1198 4.014,1199 4.055,1200 3.948,1201 3.934,1202 5.054,1203 3.931,1204 3.956,1205 3.991,1206 3.9,1207 3.885,1208 4.744,1209 3.883,1210 3.74,1211 3.794,1212 3.668,1213 3.602,1214 4.702,1215 3.613,1216 3.574,1217 3.64,1218 3.456,1219 3.41,1220 4.248,1221 3.411,1222 3.319,1223 3.398,1224 3.159,1225 3.16,1226 4.028,1227 3.147,1228 3.096,1229 3.175,1230 2.935,1231 2.949,1232 3.883,1233 2.936,1234 2.925,1235 2.986,1236 2.806,1237 2.818,1238 3.737,1239 2.81,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.152,1247 0.114,1248 0.221,1249 0.14,1250 0.104,1251 4.244,1252 0.139,1253 3.206,1254 0.033,1255 6.183,1256 0.329,1257 3.908,1258 0.103,1259 2.923,1260 3.889,1261 0.916,1262 9.226,1263 2.883,1264 1.979,1265 1.947,1266 2.106,1267 2.087,1268 1.366,1269 2.096,1270 1.94,1271 1.912,1272 2.043,1273 2.04,1274 1.119,1275 2.04,1276 1.703,1277 1.652,1278 1.858,1279 1.873,1280 1.058,1281 1.875,1282 1.553,1283 1.488,1284 1.746,1285 1.736,1286 0.856,1287 1.745,1288 1.328,1289 1.254,1290 1.611,1291 1.529,1292 0.784,1293 1.56,1294 1.108,1295 1.037,1296 1.406,1297 1.316,1298 0.637,1299 1.351,1300 0.928,1301 0.878,1302 1.181,1303 1.098,1304 0.279,1305 1.12,1306 0.886,1307 0.821,1308 1.143,1309 1.062,1310 0.218,1311 1.107,1312 4.043,1314 5.323,1316 6.812,1318 8.39,1320 10.011,1328 5.188,1329 3.379,1333 2.487,1340 29.827,1341 62.72,1342 142.984,1343 187.893,1344 229.456,1345 241.066,1346 243.066,1347 27.198,1348 7.385,1349 41.05,1350 41.05,1351 24,1352 12.199,1353 4.248,1354 3.322,1355 36.369,1356 112,1357 92,1358 0.156,1359 183.467,1360 309.96,1361 439.419,1362 18284,1364 16.899,1365 0.676,1366 0.569,1367 16.899,1368 14.228,1369 12.382,1370 0.442,1371 0.314,1372 8.725,1373 12.078,1374 8.538,1375 7.077,1376 12.382,1377 8.805,1378 10.593,1379 0.286,1380 0.173,1381 10.593,1382 6.391,1383 9.081,1384 0.189,1385 0.097,1386 9.081,1387 4.678,1388 7.482,1389 0.125,1390 0.055,1391 7.482,1392 3.277,1393 6.237,1394 0.082,1395 0.031,1396 6.237,1397 2.32,1398 0.256,1399 76.268,1400 0.225,1401 25.097,1402 0.398,1403 130,1404 303.268,1405 137.299,1406 305.908,1407 432.69,1408 290,1409 150,1410 329.265,1411 158.299,1412 337.475,1413 487.12,1414 319,1415 4.081}
{0 CHEMBL1085276,1 1.257,2 10.217,3 4.691,4 22.006,5 95.073,6 6.64,7 0.462,8 3.901,9 4.023,10 3.393,11 3.529,12 4.842,13 3.467,14 4.493,15 4.67,16 3.749,17 3.97,18 5.345,19 3.877,20 4.838,21 5.074,22 3.782,23 4.119,24 5.648,25 3.981,26 4.884,27 5.143,28 3.612,29 4.069,30 5.679,31 3.895,32 4.823,33 5.1,34 3.497,35 3.977,36 5.569,37 3.791,38 4.728,39 5.008,40 3.348,41 3.851,42 5.484,43 3.659,44 4.505,45 4.783,46 3.185,47 3.647,48 5.285,49 3.464,50 4.265,51 4.531,52 3.045,53 3.499,54 4.994,55 3.319,56 0.041,57 0.606,58 10.39,59 4.703,60 5.921,61 6.482,62 0.106,63 1.083,64 19.483,65 8.219,66 12.118,67 11.531,68 0.186,69 1.456,70 28.395,71 11.531,72 21.954,73 16.253,74 0.225,75 1.467,76 30.177,77 12.261,78 36.12,79 17.127,80 0.197,81 1.37,82 28.414,83 11.643,84 28.731,85 16.399,86 0.197,87 1.232,88 25.988,89 10.522,90 29.429,91 14.748,92 0.217,93 1.001,94 20.809,95 8.21,96 27.317,97 11.636,98 0.077,99 0.8,100 15.856,101 6.82,102 12.917,103 9.712,104 2,105 36,106 0.216,107 0.513,108 0.683,109 0.795,110 0.831,111 0.831,112 3.188,113 1.008,114 -5.48,115 -5.35,116 -5,121 45.7,123 4,124 2,127 2,144 9,145 2,146 1,159 1,176 16,180 6,187 19,192 7,200 14,206 5,214 13,219 4,227 14,232 1,239 12,243 1,244 2,251 9,256 2,264 5,269 4,277 7,281 673,282 15.999,283 15.999,284 15.999,285 15.999,286 15.999,287 14.454,288 16.602,289 9.563,290 16.085,291 12.86,292 12.86,293 12.86,294 12.86,295 12.86,296 10.568,297 19.7,298 4.568,299 12.986,300 4.267,301 2.546,302 1.558,303 0.905,304 0.696,305 0.696,306 3.892,311 1,312 1,313 526,314 2.121,317 48.397,318 208.695,321 94.964,325 1.686,326 13.703,328 1,329 0.75,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.86,337 47.5,338 235,339 4.449,340 3.785,341 6.686,342 4.186,343 3.172,344 4.005,345 1.277,346 10.754,347 3.214,348 4.081,349 3.108,350 6.143,351 3.816,352 2.867,353 3.55,354 0.8,355 9.056,356 2.725,357 3.62,358 2.676,359 5.617,360 3.468,361 2.472,362 2.81,364 7.5,365 2.46,366 3.396,367 2.485,368 5.222,369 3.108,370 2.098,371 2.538,373 6.253,374 2.118,375 3.115,376 2.021,377 4.778,378 2.794,379 1.808,380 2.259,382 5.006,383 1.779,384 2.956,385 1.829,386 4.434,387 2.668,388 1.665,389 2.097,391 4.448,392 1.665,393 2.762,394 1.443,395 3.634,396 2.363,397 1.364,398 1.844,400 2.976,401 1.363,402 2.5,403 1.31,404 3.514,405 2.133,406 1.15,407 1.5,409 2.697,410 1.128,411 2.482,412 1.217,413 3.432,414 2,415 1,416 1.467,418 2.275,419 1,420 2.247,421 1.077,422 3.414,423 1.984,424 1,425 1.072,427 2.136,428 0.983,429 2,430 1,431 3.247,432 1.812,433 0.772,434 1,436 1.873,437 0.798,438 1.262,439 0.349,440 2.943,441 1.107,442 0.11,443 0.118,445 0.289,446 0.109,447 0.953,448 0.07,449 2.406,450 0.657,451 -0.365,452 -0.438,454 -0.858,455 -0.37,456 0.68,457 -0.475,458 2.239,459 0.312,460 -0.7,461 -0.899,463 -1.66,464 -0.705,465 0.584,466 -0.758,467 2,468 0.167,469 -0.832,470 -1,472 -1.999,473 -0.832,474 11.233,475 0.488,476 0.448,477 0.019,478 28,479 1.217,480 14,481 0.609,482 14,483 0.609,484 19.729,485 0.858,486 24.167,487 0.525,488 16.617,489 0.722,490 5.043,491 0.219,492 6.267,493 0.272,494 0.03,496 0.303,501 0.617,502 1.15,503 0.874,504 1.028,505 0.499,506 0.977,507 0.842,508 1.141,509 1.024,510 1.072,511 0.569,512 1.055,513 1.029,514 1.065,515 1.041,516 1.054,517 0.851,518 1.044,519 1.261,520 1.031,521 1.097,522 1.051,523 1.296,524 1.063,525 1.016,526 0.942,527 0.989,528 0.977,529 1.058,530 0.981,531 1.223,532 0.968,533 1.025,534 0.978,535 1.376,536 0.991,537 1.127,538 0.92,539 1.017,540 0.919,541 1.261,542 0.957,543 0.448,544 1.093,545 0.952,546 1.081,547 0.456,548 1.057,549 3.5,550 0.078,551 2.444,552 1.701,553 0.716,554 0.671,555 0.357,556 0.14,557 0.143,558 0.14,559 6479,560 13104,561 2.196,562 50,563 5,564 13,568 1,569 4,572 1.651,573 2.123,574 3.331,575 -0.901,582 57.803,583 1.257,584 2.978,585 3.966,586 4.619,587 4.828,588 4.828,589 2.757,590 4.176,591 4.496,592 3.488,593 882.374,594 7.71,595 10130.7,597 1,600 254.084,601 1.121,602 4.483,603 0.135,604 0.006,605 0.068,606 0.049,607 0.026,608 0.027,609 0.017,610 0.008,611 0.009,612 0.009,613 0.352,614 0.67,615 0.88,616 0.393,617 108.556,618 0.033,619 -0.05,620 0.069,621 0.017,622 0.029,623 0.039,624 -0.039,625 -0.059,626 -0.063,627 -0.07,628 -0.001,629 -0.067,630 -0.032,631 -0.051,632 -0.062,633 -0.081,634 0.022,635 -0.072,636 -0.093,637 -0.07,638 -0.109,639 -0.081,640 -0.062,641 -0.094,642 -0.027,643 0.005,644 -0.008,645 -0.007,646 -0.031,647 -0.005,648 -0.067,649 -0.033,650 -0.034,651 -0.012,652 -0.114,653 -0.021,654 0.047,655 0.045,656 -0.022,657 0.037,658 -0.093,659 0.005,660 0.067,661 -0.136,662 -0.004,663 -0.093,664 0.01,665 -0.061,666 1.286,667 5.546,668 0.913,669 19.599,670 0.981,671 1.115,672 4.247,673 18.037,674 0.67,675 3.296,676 3.611,677 3.912,678 4.174,679 4.382,680 4.369,681 4.511,682 4.615,683 4.625,684 4.736,685 6.085,686 0.62,687 305.45,688 3.296,689 4.828,690 5.687,691 6.561,692 7.434,693 8.314,694 9.193,695 10.075,696 10.957,697 11.841,698 2.2,704 1,715 9,720 3,722 12,727 1,736 1,741 46,743 13,744 2,745 26,747 49,748 21,749 12,750 3,751 9,752 1,756 4,757 5,767 3,768 2,770 4,772 13,773 8,774 2,777 1,782 1,786 1,790 1,793 23,794 2,796 2,802 1,808 0.75,809 1,828 1,829 3,832 1,859 3,868 23,876 6,880 2,881 1,893 2.2,896 1,901 10.833,902 8.033,903 5.028,904 3.069,907 2.158,908 1.296,909 1.002,910 4.01,911 9.454,912 3.526,913 4.043,914 4.57,915 5.05,916 5.493,917 5.445,918 5.709,919 5.871,920 5.89,921 6.054,922 0.857,923 35,924 8.583,926 3.723,927 0.026,929 7.471,931 17.178,933 15.058,936 1.971,937 45.333,938 0.001,940 1,941 270.735,942 113.897,943 3.124,945 25.145,948 113.897,949 295.88,950 3.124,952 14.35,953 85.286,954 30.278,955 12.252,957 270.735,959 270.735,960 117.021,961 25.145,964 223.651,965 72.229,968 14.35,969 102.672,972 270.735,973 28.269,974 113.897,977 270.735,978 28.611,979 88.411,981 25.145,982 270.735,983 28.269,984 113.897,986 0.577,987 0.345,988 0.191,989 0.103,990 19,991 7,992 0.061,993 3,994 1,995 1.095,996 3.688,997 185.621,998 0.095,999 21,1000 96.042,1005 14.656,1006 6.293,1007 2.961,1009 28.269,1010 18.811,1015 3.554,1018 412.902,1019 33,1024 12.546,1028 0.381,1031 45.149,1032 51.275,1034 0.227,1035 0.539,1036 0.718,1037 0.836,1038 0.874,1039 0.874,1040 4.762,1041 1.15,1042 5.652,1043 2.976,1044 4.29,1045 4.727,1046 1.653,1047 6.454,1048 4.275,1049 5.918,1050 1,1051 7.2,1052 2.697,1053 3.761,1054 4.27,1055 0.325,1056 7.318,1057 3.737,1058 7.192,1059 1,1060 8.85,1061 2.275,1062 5.866,1063 6.764,1064 1.915,1065 10.44,1066 5.834,1067 8.5,1068 0.772,1069 10.564,1070 2.136,1071 6.217,1072 7.168,1073 0.268,1074 12.18,1075 6.185,1076 9.845,1077 0.11,1078 12.319,1079 1.873,1080 7.748,1081 9.116,1082 2.299,1083 14.793,1084 7.71,1085 11.217,1086 -0.365,1087 14.103,1088 0.289,1089 8.514,1090 9.949,1091 0.188,1092 16.889,1093 8.486,1094 12.611,1095 -0.7,1096 15.907,1097 -0.858,1098 9.805,1099 11.639,1100 2.732,1101 19.332,1102 9.776,1103 3.172,1104 -0.832,1105 17.726,1106 -1.66,1107 10.769,1108 12.703,1109 0.125,1110 21.578,1111 10.756,1112 2.867,1113 10.754,1114 19.558,1115 -1.999,1116 11.961,1117 14.256,1118 3.189,1119 23.964,1120 11.953,1121 2.472,1122 9.056,1123 21.399,1124 4.005,1125 13.018,1126 15.451,1127 0.082,1128 26.275,1129 13.028,1130 2.098,1131 7.5,1132 23.247,1133 3.55,1134 14.171,1135 16.928,1136 3.66,1137 28.644,1138 14.193,1139 1.808,1140 6.253,1141 25.102,1142 2.81,1143 15.271,1144 18.198,1145 0.054,1146 30.984,1147 15.312,1148 1.665,1149 5.006,1150 26.962,1151 2.538,1152 16.412,1153 19.632,1154 4.139,1155 33.35,1156 16.468,1157 1.364,1158 4.448,1159 28.827,1160 2.259,1161 17.532,1162 20.947,1163 0.035,1164 35.705,1165 17.609,1166 5986,1167 8581,1168 18.087,1169 30.836,1170 39.293,1171 40.026,1172 39.666,1173 38.972,1174 38.955,1175 48.519,1176 4.155,1177 110.524,1178 38.683,1179 5.449,1180 5.785,1181 6.488,1182 5.221,1183 5.172,1184 7.005,1185 2.555,1186 17.796,1187 5.214,1188 5.812,1189 1.511,1190 1.539,1191 1.526,1192 1.499,1193 1.498,1194 1.866,1195 0.16,1196 4.251,1197 1.488,1198 4.053,1199 4.082,1200 3.988,1201 3.984,1202 7.426,1203 3.981,1204 3.938,1205 3.977,1206 3.866,1207 3.852,1208 4.77,1209 3.85,1210 3.758,1211 3.805,1212 3.64,1213 3.669,1214 4.711,1215 3.656,1216 3.476,1217 3.527,1218 3.363,1219 3.354,1220 4.276,1221 3.348,1222 3.114,1223 3.206,1224 2.99,1225 2.942,1226 3.949,1227 2.942,1228 3.111,1229 3.184,1230 2.866,1231 2.941,1232 3.69,1233 2.91,1234 2.987,1235 3.028,1236 2.862,1237 2.845,1238 3.674,1239 2.842,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.619,1245 2.715,1246 0.171,1247 0.146,1248 0.257,1249 0.161,1250 0.122,1251 4.449,1252 0.154,1253 3.785,1254 0.049,1255 6.686,1256 0.414,1257 4.186,1258 0.124,1259 3.172,1260 4.005,1261 1.277,1262 10.754,1263 3.214,1264 1.938,1265 1.897,1266 2.101,1267 2.073,1268 1.49,1269 2.085,1270 1.891,1271 1.869,1272 2.003,1273 1.962,1274 1.197,1275 1.976,1276 1.811,1277 1.771,1278 1.975,1279 1.918,1280 1.096,1281 1.94,1282 1.549,1283 1.502,1284 1.761,1285 1.718,1286 1.015,1287 1.733,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.825,1293 1.429,1294 1.085,1295 1.012,1296 1.374,1297 1.304,1298 0.641,1299 1.329,1300 1.03,1301 0.999,1302 1.212,1303 1.214,1304 0.371,1305 1.212,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.225,1311 1.107,1312 3.97,1314 5.283,1315 2.398,1316 6.801,1317 4.844,1318 8.403,1319 7.018,1320 10.046,1328 6.652,1332 0.916,1333 2.474,1340 28.531,1341 57.803,1342 136.967,1343 182.435,1344 212.474,1345 222.084,1346 222.084,1347 33.378,1348 7.296,1349 20.31,1350 20.31,1351 23,1352 12.375,1353 3.807,1354 3,1355 32.097,1356 85,1357 77,1358 0.186,1359 172.935,1360 301.93,1361 413.721,1362 14674,1364 15.648,1365 0.68,1366 0.585,1367 15.648,1368 13.449,1369 11.31,1370 0.435,1371 0.336,1372 8.689,1373 11.144,1374 8.499,1375 7,1376 11.31,1377 8.732,1378 9.978,1379 0.277,1380 0.192,1381 9.978,1382 6.924,1383 8.836,1384 0.18,1385 0.112,1386 8.836,1387 5.474,1388 7.414,1389 0.116,1390 0.065,1391 7.414,1392 4.175,1393 6.083,1394 0.077,1395 0.039,1396 6.083,1397 3.104,1398 0.295,1399 69.01,1400 0.235,1401 22.819,1402 0.5,1403 124,1404 263.381,1405 128.518,1406 262.634,1407 366.81,1408 248,1409 147,1410 271.453,1411 152.157,1412 278.664,1413 408.11,1414 265,1415 6.824}
{0 CHEMBL1085277,1 1.305,2 11.731,3 5.189,4 26.93,5 108.037,6 6.595,7 0.414,8 4.047,9 4.164,10 3.529,11 3.61,12 5.008,13 3.562,14 4.627,15 4.809,16 3.859,17 4.023,18 5.483,19 3.95,20 4.866,21 5.076,22 3.912,23 4.19,24 5.672,25 4.071,26 4.988,27 5.238,28 3.817,29 4.205,30 5.714,31 4.047,32 4.988,33 5.247,34 3.709,35 4.147,36 5.703,37 3.98,38 4.906,39 5.178,40 3.524,41 4.073,42 5.554,43 3.869,44 4.804,45 5.104,46 3.351,47 3.88,48 5.421,49 3.675,50 4.506,51 4.768,52 3.321,53 3.681,54 5.213,55 3.525,56 0.048,57 0.701,58 12.382,59 5.46,60 9.682,61 7.344,62 0.204,63 1.193,64 23.137,65 9.071,66 19.732,67 12.41,68 0.302,69 1.5,70 29.338,71 11.816,72 24.817,73 16.553,74 0.208,75 1.625,76 33.257,77 13.627,78 25.596,79 19.171,80 0.303,81 1.572,82 33.806,83 13.297,84 30.325,85 18.531,86 0.184,87 1.472,88 30.566,89 12.806,90 22.388,91 18.197,92 0.223,93 1.3,94 28.096,95 10.943,96 22.645,97 15.762,98 0.137,99 0.977,100 20.601,101 8.311,102 15.271,103 11.686,104 9,105 40,106 0.218,107 0.534,108 0.731,109 0.787,110 0.802,111 0.808,112 3.304,113 0.984,114 -5.34,115 -5.23,116 -4.89,121 43.4,123 4,124 1,126 2,127 2,137 1,138 1,144 7,145 2,146 3,176 15,180 6,187 19,191 1,192 7,200 13,206 6,214 12,219 5,227 12,232 4,239 10,244 4,251 5,256 6,264 7,277 9,281 966,282 18.135,283 18.135,284 18.135,285 18.135,286 18.135,287 16.477,288 24.689,289 10.71,290 18.589,291 14.235,292 14.235,293 14.235,294 14.235,295 14.235,296 11.62,297 32.306,298 4.963,299 14.775,300 4.423,301 2.535,302 1.357,303 1.024,304 0.934,305 0.896,306 4.006,311 1,312 1,313 668,314 2.646,317 58.086,318 247.723,321 110.364,325 1.905,326 11.596,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 54.5,338 305,339 4.46,340 3.35,341 6.398,342 4.081,343 3.097,344 4.139,345 0.962,346 9.988,347 3.053,348 4.083,349 3.117,350 6.143,351 3.822,352 2.872,353 3.55,354 0.86,355 9.057,356 2.733,357 3.968,358 3.042,359 5.947,360 3.621,361 2.661,362 3.352,363 0.86,364 8.436,365 2.552,366 3.553,367 2.528,368 5.465,369 3.387,370 2.404,371 2.695,372 0.8,373 7.248,374 2.348,375 3.265,376 2.222,377 4.903,378 2.903,379 1.92,380 2.436,382 5.564,383 1.884,384 3.1,385 2.134,386 4.717,387 2.724,388 1.771,389 2.288,391 5.118,392 1.688,393 3.022,394 1.851,395 4.426,396 2.694,397 1.711,398 2.122,400 4.432,401 1.678,402 2.5,403 1.577,404 3.943,405 2.13,406 1.15,407 1.5,409 2.841,410 1.125,411 2.47,412 1.229,413 3.504,414 2.039,415 1.136,416 1.458,418 2.697,419 1.013,420 2.245,421 1.077,422 3.414,423 2,424 1,425 1.22,427 2.275,428 1,429 2,430 1.02,431 3.247,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.486,439 1,440 2.954,441 1.237,442 0.38,443 0.409,445 0.54,446 0.322,447 1.472,448 0.636,449 2.887,450 1.173,451 0.241,452 0.282,454 0.458,455 0.223,456 1.169,457 0.26,458 2.722,459 1.038,460 0.057,461 0.061,463 0.143,464 0.056,465 0.758,466 -0.215,467 2.403,468 0.471,469 -0.51,470 -0.581,472 -1.284,473 -0.498,474 12.567,475 0.483,476 0.495,477 0.019,478 31.25,479 1.202,480 15,481 0.577,482 16.25,483 0.625,484 23.433,485 0.901,486 28.233,487 0.533,488 20.056,489 0.771,490 6.013,491 0.231,492 6.75,493 0.26,494 0.08,496 0.31,501 0.864,502 1.267,503 0.888,504 1.146,505 0.796,506 1.037,507 1.402,508 0.98,509 1.005,510 0.901,511 1.071,512 0.907,513 0.81,514 1.113,515 1.067,516 1.101,517 0.729,518 1.101,519 0.748,520 1.1,521 1.01,522 1.115,523 0.792,524 1.091,525 1.171,526 0.954,527 1.073,528 0.988,529 1.197,530 1.018,531 0.555,532 1.103,533 1.032,534 1.128,535 0.809,536 1.13,537 0.755,538 0.899,539 0.92,540 0.903,541 0.873,542 0.923,543 0.805,544 1.053,545 0.915,546 1.036,547 0.9,548 0.996,549 5,550 0.109,551 2.444,552 1.729,553 1.058,554 0.893,555 0.477,556 0.237,557 0.192,558 0.12,559 8952,560 18839,561 2.148,562 50.9,563 5,564 18,569 4,572 1.685,573 2.053,574 3.527,575 -0.874,582 69.156,583 1.305,584 3.193,585 4.371,586 4.704,587 4.794,588 4.832,589 2.969,590 3.594,591 4.671,592 3.684,593 1197.23,594 8.061,595 15315.7,600 303.58,601 1.239,602 4.65,603 0.172,604 0.006,605 0.061,606 0.043,607 0.03,608 0.029,609 0.019,610 0.011,611 0.009,612 0.006,613 0.387,614 0.5,615 1,616 0.75,617 129.076,618 0.043,619 -0.124,620 0.083,621 -0.054,622 0.114,623 0.006,624 -0.141,625 0.109,626 0.005,627 0.112,628 -0.015,629 0.079,630 0.086,631 -0.055,632 -0.094,633 -0.094,634 0.111,635 -0.106,636 0.007,637 -0.113,638 -0.052,639 -0.12,640 0.022,641 -0.094,642 -0.108,643 0.007,644 -0.087,645 -0.012,646 -0.161,647 -0.042,649 -0.15,650 -0.095,651 -0.134,652 -0.089,653 -0.127,654 -0.012,655 0.041,656 0.043,657 0.05,658 -0.064,659 0.051,660 0.04,661 -0.095,662 0.052,663 -0.051,664 -0.006,665 -0.007,666 0.847,667 1.947,668 0.808,669 26.012,670 0.986,671 1.119,672 4.113,673 16.915,674 0.657,675 3.401,676 3.714,677 4.007,678 4.277,679 4.5,680 4.564,681 4.727,682 4.82,683 4.836,684 4.956,685 6.883,686 0.609,687 349.51,688 3.401,689 4.934,690 5.79,691 6.666,692 7.536,693 8.417,694 9.294,695 10.177,696 11.057,697 11.942,698 1.9,704 1,715 7,720 5,722 12,736 1,739 2,741 53,743 13,744 2,745 29,747 56,748 23,749 12,750 5,751 7,752 2,756 4,757 5,767 3,768 1,770 4,772 14,773 9,774 1,777 1,784 1,786 1,793 27,794 3,796 3,802 1,808 0.75,809 2,828 1,829 3,832 1,849 1,850 1,859 3,864 2,868 26,876 6,878 2,880 1,881 1,893 3.8,898 2,901 12.667,902 10.033,903 5.833,904 3.278,907 2.48,908 1.326,909 0.985,910 5.21,911 10.089,912 3.611,913 4.159,914 4.7,915 5.242,916 5.731,917 5.901,918 6.22,919 6.441,920 6.405,921 6.597,922 0.875,923 40,924 9.629,926 4.013,927 0.026,929 7.397,931 19.26,933 16.22,936 1.897,937 49.333,940 1,941 317.82,942 134.726,943 3.124,945 22,948 134.726,949 339.82,950 3.124,951 21.766,952 14.35,953 75.81,955 47.924,957 317.82,959 317.82,960 137.85,961 22,964 270.735,965 69.084,968 14.35,969 114.024,970 9.476,972 317.82,973 25.124,974 134.726,977 317.82,978 37.15,979 100.7,981 22,982 317.82,983 25.124,984 134.726,986 0.572,987 0.346,988 0.192,989 0.104,990 20,991 8,992 0.089,993 5,994 1,995 1.095,996 3.927,997 217.247,998 0.095,999 21,1000 114.211,1005 17.477,1006 7.75,1007 3.783,1009 25.124,1010 15.031,1015 5.661,1018 477.67,1019 36,1026 2.362,1028 1.55,1031 52.243,1032 59.315,1034 0.228,1035 0.557,1036 0.763,1037 0.821,1038 0.837,1039 0.844,1040 4.852,1041 1.15,1042 5.759,1043 4.432,1044 4.394,1045 4.844,1046 1.912,1047 6.555,1048 4.331,1049 6.025,1050 1.136,1051 7.303,1052 2.841,1053 3.892,1054 4.527,1055 0.325,1056 7.391,1057 3.793,1058 7.316,1059 1,1060 8.943,1061 2.697,1062 5.974,1063 6.948,1064 1.679,1065 10.474,1066 5.857,1067 8.64,1068 1,1069 10.64,1070 2.275,1071 6.312,1072 7.462,1073 0.268,1074 12.123,1075 6.151,1076 9.998,1077 0.38,1078 12.372,1079 2.136,1080 7.824,1081 9.349,1082 1.497,1083 14.691,1084 7.656,1085 11.377,1086 0.241,1087 14.128,1088 0.54,1089 8.555,1090 10.266,1091 0.188,1092 16.681,1093 8.347,1094 12.774,1095 0.057,1096 15.901,1097 0.458,1098 9.828,1099 11.916,1100 1.343,1101 19.061,1102 9.612,1103 3.097,1104 -0.51,1105 17.686,1106 0.143,1107 10.751,1108 13.048,1109 0.125,1110 21.202,1111 10.502,1112 2.872,1113 9.988,1114 19.48,1115 -1.284,1116 11.92,1117 14.58,1118 1.208,1119 23.512,1120 11.662,1121 2.661,1122 9.057,1123 21.282,1124 4.139,1125 12.936,1126 15.833,1127 0.082,1128 25.723,1129 12.653,1130 2.404,1131 8.436,1132 23.089,1133 3.55,1134 14.063,1135 17.304,1136 1.09,1137 28.008,1138 13.769,1139 1.92,1140 7.248,1141 24.901,1142 3.352,1143 15.125,1144 18.625,1145 0.054,1146 30.253,1147 14.812,1148 1.771,1149 5.564,1150 26.716,1151 2.695,1152 16.237,1153 20.066,1154 0.988,1155 32.532,1156 15.913,1157 1.711,1158 5.118,1159 28.535,1160 2.436,1161 17.321,1162 21.427,1163 0.035,1164 34.794,1165 16.982,1166 8421,1167 12305,1168 19.879,1169 34.813,1170 42.974,1171 43.638,1172 44.167,1173 42.731,1174 42.799,1175 53.024,1176 6.963,1177 121.863,1178 41.314,1179 5.46,1180 5.35,1181 6.2,1182 5.116,1183 5.097,1184 7.139,1185 1.923,1186 16.714,1187 5.053,1188 9.642,1189 1.482,1190 1.505,1191 1.523,1192 1.473,1193 1.476,1194 1.828,1195 0.24,1196 4.202,1197 1.425,1198 4.06,1199 4.086,1200 4.005,1201 3.999,1202 4.941,1203 3.997,1204 3.94,1205 3.977,1206 3.868,1207 3.852,1208 4.765,1209 3.85,1210 3.76,1211 3.804,1212 3.65,1213 3.666,1214 4.502,1215 3.656,1216 3.522,1217 3.555,1218 3.429,1219 3.374,1220 4.493,1221 3.382,1222 3.248,1223 3.315,1224 3.056,1225 2.983,1226 4.251,1227 2.986,1228 3.193,1229 3.269,1230 3.033,1231 2.956,1232 3.9,1233 2.964,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.674,1239 2.91,1240 3.006,1241 3.091,1242 2.811,1243 2.817,1244 3.652,1245 2.803,1246 0.154,1247 0.116,1248 0.221,1249 0.141,1250 0.107,1251 4.46,1252 0.143,1253 3.35,1254 0.033,1255 6.398,1256 0.344,1257 4.081,1258 0.105,1259 3.097,1260 4.139,1261 0.962,1262 9.988,1263 3.053,1264 1.938,1265 1.897,1266 2.098,1267 2.071,1268 1.471,1269 2.083,1270 1.874,1271 1.863,1272 1.974,1273 1.969,1274 1.146,1275 1.961,1276 1.809,1277 1.768,1278 1.951,1279 1.911,1280 1.091,1281 1.935,1282 1.543,1283 1.495,1284 1.743,1285 1.679,1286 0.983,1287 1.704,1288 1.226,1289 1.169,1290 1.574,1291 1.521,1292 0.825,1293 1.537,1294 1.188,1295 1.111,1296 1.569,1297 1.508,1298 0.644,1299 1.528,1300 1.153,1301 1.064,1302 1.513,1303 1.376,1304 0.578,1305 1.429,1306 1.07,1307 0.995,1308 1.359,1309 1.287,1310 0.571,1311 1.316,1312 4.078,1314 5.389,1315 2.398,1316 6.903,1317 4.727,1318 8.503,1319 6.823,1320 10.148,1322 3.401,1328 7.133,1330 10.888,1332 0.791,1333 2.518,1340 32.299,1341 69.156,1342 169.218,1343 231.664,1344 249.315,1345 254.07,1346 256.07,1347 32.063,1348 7.609,1349 21.7,1350 21.7,1351 23,1352 12.476,1353 3.807,1354 3,1355 38.337,1356 109,1357 100,1358 0.174,1359 196.116,1360 345.32,1361 470.282,1362 21459,1364 17.933,1365 0.69,1366 0.604,1367 17.933,1368 15.703,1369 12.763,1370 0.44,1371 0.328,1372 9.397,1373 12.355,1374 9.095,1375 7.561,1376 12.763,1377 9.509,1378 11.08,1379 0.277,1380 0.184,1381 11.08,1382 7.355,1383 9.74,1384 0.18,1385 0.106,1386 9.74,1387 5.709,1388 8.242,1389 0.116,1390 0.06,1391 8.242,1392 4.276,1393 6.707,1394 0.075,1395 0.035,1396 6.707,1397 3.151,1398 0.278,1399 79.382,1400 0.224,1401 25.476,1402 0.459,1403 138,1404 327.116,1405 146.172,1406 314.931,1407 441.3,1408 300,1409 163,1410 325.908,1411 171.921,1412 336.237,1413 489.04,1414 314,1415 5.357}
{0 CHEMBL1085278,1 1.435,2 19.763,3 6.901,4 47.624,5 148.53,6 6.982,7 0.439,8 4.375,9 4.488,10 3.882,11 3.898,12 5.43,13 3.87,14 4.93,15 5.106,16 4.201,17 4.269,18 5.968,19 4.214,20 5.19,21 5.401,22 4.263,23 4.402,24 6.158,25 4.321,26 5.251,27 5.486,28 4.199,29 4.37,30 6.253,31 4.272,32 5.175,33 5.41,34 4.067,35 4.345,36 6.095,37 4.222,38 5.18,39 5.436,40 3.979,41 4.316,42 6.026,43 4.165,44 5.158,45 5.423,46 3.843,47 4.236,48 5.95,49 4.074,50 5.06,51 5.323,52 3.775,53 4.148,54 5.849,55 3.99,56 0.019,57 0.99,58 16.223,59 7.303,60 8.927,61 9.498,62 0.404,63 1.595,64 30.656,65 11.811,66 40.171,67 15.918,68 0.341,69 1.919,70 41.118,71 15.608,72 49.482,73 20.959,74 0.706,75 1.972,76 45.224,77 15.847,78 85.175,79 21.748,80 0.478,81 1.892,82 41.107,83 15.149,84 62.124,85 20.962,86 0.423,87 1.891,88 41.342,89 15.611,90 58.793,91 22.127,92 0.534,93 1.802,94 41.332,95 14.87,96 58.239,97 20.951,98 0.369,99 1.641,100 37.166,101 13.534,102 47.906,103 19.15,104 20,105 54,106 0.222,107 0.506,108 0.698,109 0.838,110 0.895,111 0.904,112 3.667,113 0.972,114 -4.72,115 -4.64,116 -4.36,121 41.9,123 6,126 2,127 3,144 11,145 3,146 4,159 1,161 1,176 15,179 1,180 13,183 2,187 16,192 12,200 10,205 2,206 13,211 2,214 11,218 1,219 6,224 2,227 13,231 1,232 6,237 1,239 12,243 1,244 6,247 1,251 10,256 4,264 11,268 1,269 4,274 1,277 13,281 3092,282 25.99,283 25.99,284 25.99,285 25.99,286 25.99,287 23.608,288 28.551,289 15.937,290 26.512,291 20.243,292 20.243,293 20.243,294 20.243,295 20.243,296 16.499,297 35.777,298 7.62,299 21.02,300 4.774,301 2.941,302 1.704,303 0.798,304 0.426,305 0.372,306 4.365,312 1,313 1618,314 4.69,318 486.278,322 368.255,325 2.906,326 34.099,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 82,338 751,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 2.186,346 11.061,347 3.18,348 4.105,349 3.66,350 6.011,351 3.723,352 2.761,353 3.688,354 0.916,355 8.529,356 2.661,357 4.048,358 2.995,359 5.681,360 3.613,361 2.642,362 3.676,363 0.86,364 7.996,365 2.563,366 3.672,367 2.984,368 5.407,369 3.38,370 2.451,371 2.964,372 0.86,373 6.913,374 2.261,375 3.617,376 2.82,377 5.29,378 3.232,379 2.271,380 2.886,381 0.366,382 6.815,383 2.172,384 3.378,385 2.632,386 5.124,387 3.124,388 2.167,389 2.515,390 0.172,391 6.04,392 2.056,393 3.309,394 2.495,395 4.862,396 2.958,397 2.017,398 2.504,400 5.594,401 1.888,402 3.09,403 2.172,404 4.585,405 2.858,406 1.87,407 2.175,409 4.814,410 1.832,411 2.907,412 1.888,413 4.125,414 2.743,415 1.77,416 2.082,418 3.748,419 1.713,420 2.856,421 1.688,422 3.886,423 2.477,424 1.501,425 1.866,427 3.384,428 1.459,429 2.715,430 1.585,431 3.717,432 2.423,433 1.431,434 1.81,436 3.123,437 1.415,438 2.661,439 1.372,440 3.595,441 2.243,442 1.257,443 1.729,445 3.045,446 1.236,447 2.531,448 1.3,449 3.494,450 2.185,451 1.193,452 1.529,454 2.616,455 1.181,456 2.416,457 1.29,458 3.48,459 2.011,460 1.044,461 1.291,463 2.236,464 1.003,465 2.066,466 1.193,467 3.214,468 1.864,469 0.838,470 1.04,472 1.962,473 0.854,474 17.967,475 0.473,476 0.729,477 0.019,478 46.25,479 1.217,480 22.5,481 0.592,482 23.75,483 0.625,484 35.235,485 0.927,486 42.033,487 0.568,488 36.061,489 0.949,490 9.029,491 0.238,492 9.501,493 0.25,494 0.093,496 0.273,501 0.77,502 1.323,503 0.838,504 1.19,505 0.578,506 1.047,507 0.855,508 1.009,509 0.931,510 1.021,511 0.537,512 0.982,513 1.086,514 1.061,515 0.933,516 1.05,517 0.784,518 0.982,519 1.109,520 0.93,521 0.946,522 0.909,523 1.049,524 0.903,525 0.993,526 0.996,527 1.041,528 1.003,529 1.06,530 1.026,531 0.661,532 1.056,533 0.957,534 1.071,535 0.583,536 1.062,537 0.913,538 0.916,539 1.043,540 0.977,541 0.734,542 1.024,543 0.875,544 1.024,545 1.006,546 1.027,547 0.724,548 1.038,549 6.5,550 0.115,551 2.889,552 2.375,553 1.853,554 0.868,555 0.604,556 0.361,557 0.23,558 0.162,559 30779,560 79100,561 2.069,562 48.6,563 8,564 23,567 1,569 4,572 1.775,573 1.966,574 4.208,575 -0.427,582 106.193,583 1.435,584 3.268,585 4.505,586 5.412,587 5.784,588 5.838,589 3.629,590 4.932,591 5.225,592 4.439,593 3120.74,594 9.126,595 61789.2,600 459.5,601 1.267,602 5.192,603 0.159,604 0.004,605 0.053,606 0.042,607 0.036,608 0.019,609 0.015,610 0.011,611 0.007,612 0.005,613 0.353,614 0.17,615 0.75,616 0.894,617 222.698,618 -0.008,619 -0.134,620 0.058,621 -0.072,622 -0.009,623 -0.008,624 0.105,625 0.104,626 0.026,627 0.006,628 0.136,629 0.009,630 -0.048,631 -0.064,632 0.049,633 -0.037,634 0.047,635 0.013,636 0.035,637 0.036,638 0.065,639 0.064,640 0.079,641 0.069,642 -0.066,643 -0.002,644 -0.064,645 -0.012,646 -0.066,647 -0.035,648 0.064,649 -0.085,650 -0.001,651 -0.076,652 0.054,653 -0.052,654 -0.033,655 0.037,656 -0.059,657 -0.008,658 -0.047,659 -0.035,660 -0.047,661 -0.073,662 -0.031,663 -0.05,664 -0.023,665 -0.041,666 2.126,667 5.66,668 0.526,669 53.967,670 0.998,671 1.123,672 3.492,673 12.192,674 0.652,675 3.738,676 4.007,677 4.234,678 4.477,679 4.7,680 4.771,681 4.86,682 4.97,683 4.997,684 4.898,685 11.545,686 0.616,687 516.69,688 3.738,689 5.252,690 6.075,691 6.929,692 7.772,693 8.637,694 9.493,695 10.367,696 11.231,697 12.111,698 2.7,701 1,705 1,715 11,720 7,722 18,727 1,737 1,739 2,741 74,743 20,744 3,745 41,747 77,748 31,749 18,750 7,751 11,752 1,756 4,757 7,770 6,772 20,773 11,777 2,782 2,786 2,793 36,794 7,795 1,796 7,802 2,808 0.5,809 5,829 4,833 2,855 1,859 2,864 2,868 38,876 9,877 1,878 3,881 1,893 6.8,896 2,898 3,901 19.333,902 13.7,903 8.611,904 4.713,907 3.401,908 1.413,909 0.959,910 10.334,911 11.633,912 3.97,913 4.483,914 4.992,915 5.531,916 6.051,917 6.262,918 6.586,919 6.936,920 7.196,921 7.354,922 0.923,923 56,924 14.095,926 5.838,927 0.026,929 7.697,931 27.211,933 21.86,936 2.197,937 83.5,941 411.989,942 187.469,943 21.135,945 83.29,948 187.469,949 495.278,950 21.135,951 16.793,952 42.022,953 104.239,954 55.423,955 66.654,956 6.763,957 411.989,959 411.989,960 208.604,961 83.29,964 364.904,965 130.374,968 45.146,969 163.458,972 411.989,973 104.425,974 187.469,977 411.989,978 66.437,979 124.156,980 18.011,981 83.29,982 411.989,983 104.425,984 187.469,986 0.563,987 0.319,988 0.171,989 0.094,990 22,991 10,992 0.182,993 14,994 2,995 1.2,996 5.155,997 329.452,998 0.2,999 20,1000 199.421,1005 27.842,1006 14.104,1007 8.157,1009 104.425,1010 20.393,1015 4.724,1017 18.011,1018 703.882,1019 52,1024 24.051,1028 -0.472,1031 73.861,1032 83.102,1034 0.231,1035 0.526,1036 0.726,1037 0.872,1038 0.931,1039 0.94,1040 5.185,1041 1.87,1042 6.023,1043 5.594,1044 4.691,1045 5.17,1046 2.639,1047 6.774,1048 4.621,1049 6.345,1050 1.77,1051 7.538,1052 4.814,1053 4.111,1054 4.832,1055 1.847,1056 7.551,1057 4.007,1058 7.619,1059 1.501,1060 9.156,1061 3.748,1062 6.217,1063 7.257,1064 3.582,1065 10.671,1066 6.084,1067 8.928,1068 1.431,1069 10.837,1070 3.384,1071 6.479,1072 7.753,1073 3.603,1074 12.333,1075 6.327,1076 10.273,1077 1.257,1078 12.562,1079 3.123,1080 8.017,1081 9.65,1082 4.922,1083 14.975,1084 7.844,1085 11.643,1086 1.193,1087 14.319,1088 3.045,1089 8.71,1090 10.56,1091 5.291,1092 17.035,1093 8.533,1094 13.034,1095 1.044,1096 16.1,1097 2.616,1098 10.004,1099 12.219,1100 6.39,1101 19.516,1102 9.813,1103 3.215,1104 0.838,1105 17.902,1106 2.236,1107 10.925,1108 13.35,1109 6.93,1110 21.76,1111 10.733,1112 2.761,1113 11.061,1114 19.719,1115 1.962,1116 12.118,1117 14.889,1118 7.902,1119 24.185,1120 11.917,1121 2.642,1122 8.529,1123 21.55,1124 4.198,1125 13.154,1126 16.144,1127 8.539,1128 26.514,1129 12.954,1130 2.451,1131 7.996,1132 23.393,1133 3.688,1134 14.311,1135 17.622,1136 9.436,1137 28.922,1138 14.105,1139 2.271,1140 6.913,1141 25.246,1142 3.676,1143 15.406,1144 18.946,1145 10.13,1146 31.289,1147 15.199,1148 2.167,1149 6.815,1150 27.107,1151 2.964,1152 16.554,1153 20.392,1154 10.981,1155 33.692,1156 16.341,1157 2.017,1158 6.04,1159 28.975,1160 2.886,1161 17.679,1162 21.757,1163 11.71,1164 36.077,1165 17.463,1166 29123,1167 46935,1168 27.622,1169 48.228,1170 59.166,1171 61.712,1172 60.914,1173 58.72,1174 58.678,1175 73.827,1176 10.723,1177 159.159,1178 56.642,1179 5.521,1180 5.692,1181 6.684,1182 5.3,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.18,1188 18.03,1189 1.443,1190 1.505,1191 1.486,1192 1.432,1193 1.431,1194 1.801,1195 0.262,1196 3.882,1197 1.382,1198 4.05,1199 4.059,1200 4.015,1201 3.966,1202 7.435,1203 3.975,1204 3.942,1205 3.972,1206 3.879,1207 3.858,1208 7.427,1209 3.858,1210 3.799,1211 3.848,1212 3.717,1213 3.714,1214 4.947,1215 3.71,1216 3.757,1217 3.793,1218 3.623,1219 3.655,1220 4.814,1221 3.638,1222 3.624,1223 3.692,1224 3.492,1225 3.453,1226 4.708,1227 3.446,1228 3.527,1229 3.589,1230 3.422,1231 3.245,1232 4.378,1233 3.27,1234 3.421,1235 3.497,1236 3.268,1237 3.196,1238 4.328,1239 3.215,1240 3.236,1241 3.275,1242 3.144,1243 3.07,1244 4.242,1245 3.085,1246 0.111,1247 0.09,1248 0.165,1249 0.103,1250 0.078,1251 4.553,1252 0.102,1253 3.692,1254 0.053,1255 6.774,1256 0.27,1257 4.203,1258 0.078,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.064,1267 2.084,1268 1.407,1269 2.074,1270 1.912,1271 1.885,1272 2.051,1273 2.028,1274 1.239,1275 2.035,1276 1.8,1277 1.759,1278 2.013,1279 1.951,1280 1.165,1281 1.977,1282 1.763,1283 1.721,1284 1.9,1285 1.869,1286 1.136,1287 1.88,1288 1.615,1289 1.547,1290 1.857,1291 1.806,1292 0.981,1293 1.824,1294 1.425,1295 1.356,1296 1.706,1297 1.732,1298 0.922,1299 1.72,1300 1.388,1301 1.31,1302 1.686,1303 1.638,1304 0.738,1305 1.663,1306 1.195,1307 1.15,1308 1.524,1309 1.429,1310 0.681,1311 1.46,1312 4.419,1314 5.7,1316 7.175,1318 8.752,1320 10.391,1322 3.661,1328 9.348,1329 2.458,1330 17.044,1333 2.293,1340 45.572,1341 106.193,1342 241.843,1343 333.407,1344 400.48,1345 427.99,1346 431.99,1347 79.253,1348 8.232,1349 81.01,1350 81.01,1351 24,1352 12.651,1353 4.392,1354 3.585,1355 68.678,1356 275,1357 232,1358 0.117,1359 279.928,1360 499.63,1361 674.784,1362 61807,1364 26.744,1365 0.704,1366 0.584,1367 26.744,1368 22.203,1369 18.529,1370 0.452,1371 0.324,1372 13.109,1373 17.825,1374 12.78,1375 10.686,1376 18.529,1377 13.288,1378 15.947,1379 0.295,1380 0.177,1381 15.947,1382 9.58,1383 12.943,1384 0.19,1385 0.096,1386 12.943,1387 6.518,1388 10.6,1389 0.122,1390 0.052,1391 10.6,1392 4.508,1393 8.435,1394 0.077,1395 0.028,1396 8.435,1397 3.058,1398 0.2,1399 116.126,1400 0.19,1401 36.324,1402 0.281,1403 190,1404 566.656,1405 209.743,1406 534.984,1407 726.51,1408 502,1409 217,1410 529.442,1411 236.112,1412 531.575,1413 775.75,1414 499,1415 8.167}
{0 CHEMBL1085279,1 1.679,2 8.826,3 3.61,4 13.033,5 89.395,6 8.27,7 0.64,8 3.8,9 3.911,10 3.462,11 3.321,12 4.941,13 3.315,14 4.312,15 4.487,16 3.863,17 3.695,18 5.458,19 3.68,20 4.465,21 4.614,22 3.939,23 3.862,24 5.61,25 3.813,26 4.621,27 4.815,28 3.85,29 3.834,30 5.739,31 3.764,32 4.445,33 4.644,34 3.697,35 3.757,36 5.498,37 3.668,38 4.453,39 4.652,40 3.64,41 3.738,42 5.51,43 3.624,44 4.419,45 4.661,46 3.47,47 3.586,48 5.405,49 3.452,50 4.166,51 4.388,52 3.389,53 3.288,54 5.285,55 3.201,56 0.039,57 0.583,58 7.008,59 3.369,60 4.863,61 4.23,62 0.432,63 0.913,64 15.472,65 5.183,66 22.981,67 6.874,68 0.19,69 1.005,70 17.901,71 7.16,72 18.238,73 8.822,74 0.539,75 1.061,76 26.105,77 7.969,78 54.228,79 9.629,80 0.291,81 0.959,82 19.307,83 7.131,84 26.479,85 9.293,86 0.279,87 0.92,88 21.678,89 7.675,90 28.186,91 9.934,92 0.352,93 0.845,94 22.576,95 7.498,96 32.699,97 9.94,98 0.328,99 0.662,100 17.121,101 5.415,102 27.565,103 7.049,104 29,105 36,106 0.296,107 0.599,108 0.708,109 0.831,110 0.84,111 0.84,112 3.189,113 0.913,114 -3.77,115 -3.73,116 -3.55,121 42.5,126 3,144 7,145 1,146 1,148 1,153 1,155 1,161 1,163 1,176 6,179 3,180 5,182 1,187 6,189 2,192 4,200 3,203 3,206 7,214 2,216 3,219 5,221 1,227 5,229 1,231 1,232 3,239 7,244 1,246 2,251 4,255 2,256 3,264 3,269 2,281 697,282 15.137,283 15.137,284 15.137,285 15.137,286 15.137,287 13.092,288 12.144,289 8.712,290 15.675,291 12.291,292 12.291,293 12.291,294 12.291,295 12.291,296 9.163,297 10.72,298 4.102,299 13.213,300 3.643,301 1.923,302 1.305,303 0.607,304 0.557,305 0.557,306 3.864,309 1,310 1,311 1,312 1,313 429,314 3.24,317 44.874,318 132.352,321 89.241,325 1.414,326 17.358,328 1,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 49.833,338 203,339 4.703,340 3.762,341 6.873,342 4.201,343 3.272,344 4.668,345 2.208,346 11.416,347 3.051,348 4.161,349 3.365,350 6.174,351 3.739,352 2.8,353 3.782,354 0.655,355 9.012,356 2.62,357 3.901,358 2.925,359 5.814,360 3.561,361 2.627,362 3.257,363 0.13,364 7.859,365 2.433,366 3.674,367 2.671,368 5.5,369 3.225,370 2.309,371 2.993,373 6.818,374 2.102,375 3.378,376 2.244,377 5.184,378 2.935,379 2.012,380 2.689,382 6.107,383 1.806,384 3.007,385 1.976,386 4.505,387 2.507,388 1.532,389 2.243,391 4.086,392 1.487,393 2.794,394 1.586,395 4.217,396 2.31,397 1.362,398 1.92,400 3.652,401 1.285,402 2.596,403 1.516,404 3.618,405 2.117,406 1.166,407 1.639,409 2.683,410 1.093,411 2.322,412 1.272,413 3.501,414 1.967,415 1,416 1.249,418 2.272,419 0.949,420 2.301,421 0.983,422 3.428,423 1.824,424 0.886,425 1.189,427 2.219,428 0.798,429 1.218,430 0.668,431 2.696,432 0.782,433 -0.101,434 -0.125,436 -0.241,437 -0.076,438 1.169,439 0.321,440 2.415,441 0.73,442 -0.227,443 -0.295,445 -0.569,446 -0.213,447 0.817,448 -0.325,449 2.373,450 0.354,451 -0.544,452 -0.706,454 -1.296,455 -0.457,456 0.659,457 -0.373,458 2.27,459 0.202,460 -0.778,461 -1,463 -2,464 -0.754,465 0.484,466 -0.6,467 2,468 -0.001,469 -1,470 -1.068,472 -2.033,473 -0.9,474 11.081,475 0.482,476 0.703,477 0.031,478 30.75,479 1.337,480 15,481 0.652,482 15.75,483 0.685,484 16.795,485 0.73,486 24.619,487 0.615,488 22.86,489 0.994,490 6.389,491 0.278,492 4.58,493 0.199,494 0.23,496 0.379,501 0.761,502 1.597,503 0.597,504 1.101,505 0.592,506 0.956,507 0.693,508 0.794,509 0.61,510 0.626,511 0.452,512 0.643,513 1.063,514 1.271,515 0.937,516 1.134,517 0.777,518 1.07,519 1.632,520 0.906,521 1.13,522 0.868,523 1.657,524 0.933,525 0.887,526 1.017,527 0.903,528 0.989,529 0.941,530 1.026,531 0.888,532 1.104,533 1.156,534 1.213,535 0.892,536 1.191,537 0.888,538 0.87,539 0.983,540 0.981,541 0.863,542 0.999,543 0.888,544 1.101,545 0.897,546 1.13,547 1.08,548 1.046,549 5,550 0.099,551 3.111,552 2.076,553 1.526,554 0.691,555 0.468,556 0.331,557 0.222,558 0.165,559 5198,560 15634,561 2.016,562 42.5,564 16,565 1,572 1.659,573 1.84,574 3.161,575 -0.729,577 1,579 1,582 67.148,583 1.679,584 3.399,585 4.017,586 4.715,587 4.765,588 4.765,589 2.541,590 4.176,591 4.495,592 3.31,593 837.509,594 7.748,595 9383.1,596 1,597 1,598 1,599 1,600 212.877,601 1.538,602 4.428,603 0.2,604 0.01,605 0.086,606 0.056,607 0.048,608 0.024,609 0.018,610 0.016,611 0.012,612 0.013,613 0.483,614 0.67,615 1,616 1.265,617 106.659,618 -0.03,619 -0.421,620 0.04,621 -0.175,622 -0.077,623 -0.071,624 0.262,625 0.364,626 0.16,627 0.266,628 0.19,629 0.238,630 -0.116,631 -0.22,632 -0.062,633 -0.16,634 0.008,635 -0.137,636 -0.298,637 0.063,638 -0.128,639 0.091,640 -0.254,641 -0.003,642 -0.05,643 -0.008,644 -0.055,645 -0.022,646 -0.053,647 -0.057,648 -0.026,649 -0.15,650 -0.148,651 -0.201,652 -0.069,653 -0.191,654 0.037,655 0.023,656 0.027,657 0.023,659 0.027,660 0.221,661 -0.18,662 0.11,663 -0.158,664 0.097,665 -0.064,666 2.073,667 4.689,668 0.652,669 17.709,670 1.01,671 1.124,672 2.541,673 6.458,674 0.687,675 3.258,676 3.611,677 3.892,678 4.143,679 4.369,680 4.454,681 4.564,682 4.673,683 4.663,684 4.663,685 5.493,686 0.657,687 330.82,688 3.258,689 4.812,690 5.673,691 6.564,692 7.448,693 8.346,694 9.24,695 10.142,696 11.042,697 11.947,698 7.5,705 1,706 1,708 1,714 1,715 8,720 4,721 1,722 16,737 1,740 1,741 40,743 17,744 1,745 25,747 42,748 17,749 13,750 2,751 4,756 3,757 4,758 1,772 14,773 3,777 1,782 1,786 1,789 1,790 1,793 17,794 3,796 6,797 1,799 1,802 3,803 1,808 0.667,809 2,822 1,828 1,829 2,832 1,859 2,864 3,865 1,868 23,878 1,881 1,892 1,893 5,896 1,898 1,901 12.5,902 8.293,903 5,904 2.243,907 3.303,908 1.469,909 0.982,910 4.392,911 10.345,912 3.555,913 4.216,914 4.853,915 5.485,916 6.051,917 6.43,918 6.882,919 7.331,920 7.579,921 7.897,922 0.833,923 37,924 8.441,926 3.508,927 0.026,929 7.787,931 15.953,933 12.676,936 2.287,937 52.611,940 1,941 200.109,942 123.306,943 6.31,944 39.149,945 36.145,948 123.306,949 275.402,950 6.31,951 25.189,952 3.124,953 75.381,954 28.759,955 26.544,956 57.682,957 188.338,959 200.109,960 129.616,961 36.145,962 39.149,964 200.109,965 36.145,968 11.955,969 115.762,970 1.899,971 39.149,972 200.109,973 42.455,974 162.454,977 200.109,978 22.735,979 106.88,981 75.293,982 200.109,983 42.455,984 162.454,986 0.594,987 0.351,988 0.177,989 0.098,990 18,991 9,992 0.071,993 3,994 1,995 1.133,996 3.414,997 185.686,998 0.133,999 15,1000 102.042,1005 15.992,1006 6.316,1007 3.105,1008 0.975,1009 39.269,1010 15.13,1015 3.055,1016 2.04,1018 405.018,1019 34,1024 11.689,1028 -0.406,1031 40.411,1032 44.972,1034 0.315,1035 0.639,1036 0.755,1037 0.886,1038 0.895,1039 0.895,1040 4.796,1041 1.166,1042 5.687,1043 3.652,1044 4.29,1045 4.902,1046 2.32,1047 6.532,1048 4.151,1049 6.038,1050 1,1051 7.277,1052 2.683,1053 4.007,1054 4.844,1055 1.847,1056 7.506,1057 3.75,1058 7.368,1059 0.886,1060 8.967,1061 2.272,1062 5.922,1063 7.193,1064 3.527,1065 10.624,1066 5.646,1067 8.738,1068 -0.101,1069 10.714,1070 2.219,1071 6.431,1072 7.967,1073 3.656,1074 12.422,1075 6.037,1076 10.139,1077 -0.227,1078 12.496,1079 -0.241,1080 7.861,1081 9.82,1082 4.955,1083 15.079,1084 7.445,1085 11.565,1086 -0.544,1087 14.303,1088 -0.569,1089 8.724,1090 10.993,1091 5.37,1092 17.23,1093 8.203,1094 13.011,1095 -0.778,1096 16.128,1097 -1.296,1098 9.973,1099 12.648,1100 6.458,1101 19.731,1102 9.417,1103 3.272,1104 -1,1105 17.968,1106 -2,1107 10.998,1108 14.015,1109 7.028,1110 22.038,1111 10.35,1112 2.8,1113 11.416,1114 19.82,1115 -2.033,1116 12.183,1117 15.591,1118 7.994,1119 24.488,1120 11.487,1121 2.627,1122 9.012,1123 21.682,1124 4.668,1125 13.284,1126 17.049,1127 8.654,1128 26.864,1129 12.505,1130 2.309,1131 7.859,1132 23.552,1133 3.782,1134 14.451,1135 18.597,1136 9.549,1137 29.299,1138 13.614,1139 2.012,1140 6.818,1141 25.43,1142 3.257,1143 15.588,1144 20.097,1145 10.263,1146 31.705,1147 14.675,1148 1.532,1149 6.107,1150 27.313,1151 2.993,1152 16.753,1153 21.636,1154 11.116,1155 34.136,1156 15.776,1157 1.362,1158 4.086,1159 29.202,1160 2.689,1161 17.908,1162 23.156,1163 11.862,1164 36.556,1165 16.859,1166 5180,1167 9086,1168 16.126,1169 27.495,1170 38.477,1171 39.589,1172 40.027,1173 38.128,1174 37.931,1175 51.256,1176 5.986,1177 112.245,1178 35.248,1179 5.53,1180 5.762,1181 6.42,1182 5.264,1183 5.272,1184 7.668,1185 3.912,1186 18.91,1187 5.051,1188 13.389,1189 1.539,1190 1.584,1191 1.601,1192 1.525,1193 1.517,1194 2.05,1195 0.239,1196 4.49,1197 1.41,1198 4.18,1199 4.227,1200 4.207,1201 4.034,1202 7.433,1203 4.055,1204 3.867,1205 3.889,1206 3.847,1207 3.781,1208 5.078,1209 3.783,1210 3.616,1211 3.681,1212 3.584,1213 3.347,1214 4.805,1215 3.378,1216 3.434,1217 3.493,1218 3.49,1219 3.291,1220 4.531,1221 3.295,1222 3.107,1223 3.186,1224 3.175,1225 2.93,1226 4.28,1227 2.922,1228 3.044,1229 3.065,1230 2.918,1231 2.789,1232 4.158,1233 2.811,1234 2.874,1235 3.009,1236 2.808,1237 2.715,1238 4.041,1239 2.694,1240 2.842,1241 2.901,1242 2.666,1243 2.636,1244 3.763,1245 2.617,1246 0.188,1247 0.15,1248 0.275,1249 0.168,1250 0.131,1251 4.703,1252 0.187,1253 3.762,1254 0.088,1255 6.873,1256 0.457,1257 4.201,1258 0.122,1259 3.272,1260 4.668,1261 2.208,1262 11.416,1263 3.051,1264 1.916,1265 1.893,1266 2.01,1267 2.065,1268 1.13,1269 2.047,1270 1.902,1271 1.864,1272 1.975,1273 2.009,1274 1.095,1275 2.007,1276 1.53,1277 1.469,1278 1.784,1279 1.822,1280 0.835,1281 1.809,1282 1.477,1283 1.406,1284 1.688,1285 1.693,1286 0.777,1287 1.697,1288 1.126,1289 1.052,1290 1.417,1291 1.334,1292 0.469,1293 1.356,1294 0.934,1295 0.902,1296 1.382,1297 1.239,1298 0.462,1299 1.308,1300 0.929,1301 0.804,1302 1.14,1303 1.236,1304 0.186,1305 1.189,1306 0.824,1307 0.774,1308 1.067,1309 1.029,1310 0.163,1311 1.056,1312 3.932,1314 5.273,1315 2.398,1316 6.806,1317 4.844,1318 8.424,1319 7.05,1320 10.088,1322 5.267,1323 6.24,1330 5.32,1333 1.388,1340 26.272,1341 67.148,1342 135.941,1343 160.696,1344 188.612,1345 190.612,1346 190.612,1347 31.802,1348 7.042,1349 37.83,1350 37.83,1351 17,1352 12.467,1353 4.17,1354 3.322,1355 36.798,1356 75,1357 72,1358 0.245,1359 166.413,1360 278.87,1361 397.807,1362 9702,1363 2.5,1364 16.56,1365 0.72,1366 0.607,1367 17.06,1368 13.964,1369 10.969,1370 0.439,1371 0.304,1372 7.123,1373 10.202,1374 6.824,1375 5.736,1376 11.258,1377 7.607,1378 10.244,1379 0.285,1380 0.165,1381 10.615,1382 5.949,1383 8.645,1384 0.18,1385 0.084,1386 9.003,1387 4.047,1388 6.787,1389 0.109,1390 0.044,1391 7.081,1392 2.718,1393 5.501,1394 0.071,1395 0.024,1396 5.774,1397 1.862,1398 0.377,1399 72.288,1400 0.249,1401 22.286,1402 0.693,1403 122,1404 369.298,1405 151.889,1406 384.953,1407 519.16,1408 358,1409 145,1410 369.293,1411 171.211,1412 383.468,1413 561.17,1414 357,1415 4.9}
{0 CHEMBL1085280,1 1.509,2 7.684,3 2.184,4 4.769,5 73.567,6 7.646,7 0.762,8 3.609,9 3.734,10 3.207,11 3.173,12 4.778,13 3.16,14 4.083,15 4.246,16 3.568,17 3.559,18 5.251,19 3.531,20 4.286,21 4.462,22 3.597,23 3.682,24 5.396,25 3.624,26 4.369,27 4.58,28 3.477,29 3.649,30 5.438,31 3.559,32 4.329,33 4.578,34 3.303,35 3.544,36 5.309,37 3.429,38 4.199,39 4.458,40 3.116,41 3.389,42 5.175,43 3.254,44 3.939,45 4.199,46 2.797,47 3.131,48 4.905,49 2.984,50 3.69,51 3.942,52 2.488,53 2.759,54 4.875,55 2.635,56 0.019,57 0.5,58 6.312,59 2.673,60 6.921,61 3.493,62 0.139,63 0.783,64 11.189,65 4.384,66 18.927,67 5.882,68 0.084,69 0.912,70 14.205,71 5.745,72 19.488,73 7.631,74 0.23,75 0.976,76 16.524,77 5.93,78 25.948,79 8.091,80 0.139,81 0.891,82 16.919,83 6.211,84 23.724,85 8.742,86 0.192,87 0.759,88 15.239,89 5.73,90 22.802,91 8.112,92 0.072,93 0.573,94 11.612,95 4.544,96 14.023,97 6.423,98 0.116,99 0.424,100 9.41,101 3.223,102 27.867,103 4.321,104 11,105 30,106 0.276,107 0.597,108 0.714,109 0.811,110 0.842,111 0.842,112 3.012,113 0.876,114 -3.15,115 -3.15,116 -3.03,121 45.5,126 1,144 7,145 2,148 1,153 2,160 1,163 1,165 1,166 1,167 1,176 8,180 3,182 2,183 1,185 1,187 7,189 3,192 3,197 1,200 3,203 4,205 1,206 3,208 1,209 1,211 1,214 1,216 4,219 2,227 4,229 1,232 1,234 1,238 1,239 6,242 1,244 1,249 1,251 5,253 1,256 2,261 2,264 2,266 2,269 2,274 2,279 2,281 356,282 12.776,283 12.776,284 12.776,285 12.776,286 12.776,287 10.761,288 5.987,289 7.465,290 12.943,291 10.351,292 10.351,293 10.351,294 10.351,295 10.351,296 7.339,297 4.851,298 3.533,299 10.644,300 3.535,301 1.786,302 1.149,303 0.614,304 0.447,305 0.447,306 3.688,310 1,311 1,312 1,313 313,314 2.449,317 36.022,318 99.483,321 68.5,325 1.28,326 11.453,328 1,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 40.5,338 146,339 4.67,340 3.509,341 6.802,342 4.181,343 3.24,344 4.621,345 0.98,346 11.171,347 3.055,348 4.124,349 3.241,350 6.07,351 3.75,352 2.752,353 3.69,355 8.724,356 2.745,357 3.869,358 2.583,359 5.823,360 3.447,361 2.463,362 3.355,364 7.809,365 2.409,366 3.297,367 2.085,368 5.025,369 2.801,370 1.849,371 2.615,373 5.4,374 1.765,375 3.138,376 1.687,377 4.534,378 2.624,379 1.665,380 2.437,382 4.441,383 1.585,384 2.82,385 1.667,386 3.791,387 2.323,388 1.317,389 1.901,391 2.994,392 1.317,393 2.578,394 1.211,395 3.626,396 2.068,397 1.075,398 1.571,400 2.666,401 1.061,402 2.5,403 1,404 3.385,405 2,406 1,407 1.5,409 2.136,410 1,411 2.137,412 0.756,413 3.247,414 1.663,415 0.689,416 0.973,418 1.768,419 0.669,420 1.008,421 0.152,422 2.595,423 0.635,424 -0.326,425 -0.414,427 -0.804,428 -0.311,429 0.858,430 -0.228,431 2.32,432 0.367,433 -0.6,434 -0.808,436 -1.545,437 -0.572,438 0.634,439 -0.568,440 2.262,441 0.144,442 -0.84,443 -1.196,445 -2,446 -0.825,447 0.5,448 -0.827,449 1.939,450 0.042,451 -1,452 -1.382,454 -2.167,455 -1,456 0.43,457 -1,458 1.598,460 -1,461 -1.5,463 -2.347,464 -1.031,465 0.241,466 -1.1,467 1.555,468 -0.21,469 -1.163,470 -1.629,472 -3.434,473 -1.111,474 9.033,475 0.475,476 0.507,477 0.027,478 27,479 1.421,480 14.5,481 0.763,482 12.5,483 0.658,484 11.344,485 0.597,486 19.467,487 0.59,488 18.208,489 0.958,490 5.603,491 0.295,492 3.562,493 0.187,494 0.137,496 0.365,501 0.834,502 1.273,503 0.767,504 0.963,505 0.719,506 0.863,507 0.744,508 0.973,509 0.788,510 0.839,511 0.43,512 0.812,513 0.989,514 1.232,515 0.985,516 1.114,517 0.844,518 1.063,519 1.057,520 1.038,521 1.197,522 1.081,523 0.933,524 1.138,525 0.869,526 0.995,527 1.004,528 1.016,529 0.722,530 1.021,531 0.64,532 0.829,533 0.943,534 0.972,535 0.78,536 0.998,537 0.651,538 0.964,539 0.971,540 1.108,541 0.64,542 1.088,543 1.611,544 0.947,545 1.184,546 1.038,547 2.047,548 1.066,549 3.5,550 0.025,551 2.444,552 1.764,553 1.089,554 0.636,555 0.36,556 0.168,557 0.086,558 0.044,559 3082,560 8222,561 2.081,562 42.4,564 10,565 2,567 2,572 1.605,573 1.932,574 2.971,575 0.341,577 1,579 1,582 49.804,583 1.509,584 3.258,585 3.895,586 4.43,587 4.597,588 4.597,589 2.484,590 3.682,591 4.217,592 3.061,593 523.35,594 7.194,595 4970.87,596 1,597 1,599 1,600 166.465,601 1.462,602 4.171,603 0.167,604 0.012,605 0.081,606 0.059,607 0.044,608 0.03,609 0.021,610 0.014,611 0.011,612 0.009,613 0.448,614 0.83,615 1,616 0.868,617 81.048,618 -0.075,619 -0.137,620 0.04,621 -0.015,622 -0.132,623 0.022,624 0.113,625 0.134,626 0.079,627 0.105,628 0.161,629 0.091,630 -0.098,631 -0.213,632 -0.094,633 -0.143,634 -0.025,635 -0.125,636 -0.061,637 -0.005,638 -0.256,639 -0.145,640 -0.093,641 -0.214,642 -0.057,643 -0.05,644 -0.023,645 -0.039,646 -0.003,647 -0.025,648 0.168,649 0.08,650 0.057,651 0.024,652 0.019,653 0.023,654 0.043,655 -0.084,656 0.018,657 -0.095,658 0.084,659 -0.047,660 -0.2,661 -0.074,662 -0.12,663 -0.063,664 -0.193,665 -0.08,666 2.084,667 4.208,668 0.789,669 12.776,670 1,671 1.121,672 1.925,673 3.705,674 0.687,675 3.091,676 3.434,677 3.738,678 4.007,679 4.234,680 4.331,681 4.489,682 4.511,683 4.419,684 4.304,685 4.622,686 0.657,687 252.32,688 3.091,689 4.635,690 5.501,691 6.392,692 7.281,693 8.181,694 9.08,695 9.985,696 10.889,697 11.796,698 9.1,705 1,706 1,708 1,714 1,715 9,720 3,721 1,722 16,728 1,741 33,743 17,744 1,745 21,747 35,748 15,749 13,750 1,751 5,752 1,756 3,757 4,772 14,773 1,777 1,782 1,786 1,790 1,793 14,794 2,795 2,796 4,799 1,802 3,803 1,808 0.667,809 1,822 1,828 1,829 2,832 1,859 2,864 1,868 19,869 1,893 3,896 1,901 9.833,902 6.2,903 4.139,904 1.864,907 3.191,908 1.479,909 1.032,910 2.837,911 9.853,912 3.434,913 4.107,914 4.774,915 5.423,916 6.011,917 6.417,918 6.928,919 7.322,920 7.544,921 7.798,922 1,923 30,924 6.965,926 2.948,927 0.026,929 7.781,931 13.236,933 10.81,936 2.281,937 43.333,938 0.001,941 141.253,942 108.373,943 36.083,945 25.145,948 108.373,949 166.398,950 36.083,951 8.396,952 32.897,953 84.429,954 33.464,955 10.414,956 23.542,957 117.711,959 141.253,960 144.456,961 25.145,964 141.253,965 25.145,968 38.656,969 103.901,970 1.899,972 141.253,973 61.228,974 108.373,977 141.253,978 15.548,979 96.011,981 58.042,982 141.253,983 61.228,984 108.373,986 0.588,987 0.349,988 0.186,989 0.103,990 16,991 7,992 0.057,993 2,994 1,995 1.133,996 3.106,997 144.198,998 0.133,999 15,1000 76.711,1005 11.932,1006 4.518,1007 2.021,1008 1.004,1009 58.042,1010 17.511,1015 2.722,1016 2.083,1017 32.897,1018 310.854,1019 30,1024 11.208,1028 -0.417,1031 32.993,1032 36.988,1034 0.299,1035 0.646,1036 0.772,1037 0.878,1038 0.911,1039 0.911,1040 4.654,1041 1,1042 5.501,1043 2.666,1044 4.111,1045 4.792,1046 1.072,1047 6.347,1048 4.052,1049 5.897,1050 0.689,1051 7.086,1052 2.136,1053 3.761,1054 4.677,1056 7.322,1057 3.65,1058 7.226,1059 -0.326,1060 8.774,1061 1.768,1062 5.733,1063 7.101,1064 1.045,1065 10.448,1066 5.599,1067 8.597,1068 -0.6,1069 10.522,1070 -0.804,1071 6.217,1072 7.843,1074 12.257,1075 6.017,1076 10,1077 -0.84,1078 12.308,1079 -1.545,1080 7.678,1081 9.733,1082 1.019,1083 14.902,1084 7.453,1085 11.429,1086 -1,1087 14.119,1088 -2,1089 8.534,1090 10.884,1092 17.05,1093 8.237,1094 12.878,1095 -1,1096 15.948,1097 -2.167,1098 9.799,1099 12.553,1100 0.993,1101 19.535,1102 9.466,1103 3.24,1104 -1.163,1105 17.791,1106 -2.347,1107 10.822,1108 13.902,1110 21.828,1111 10.417,1112 2.752,1113 11.171,1114 19.645,1115 -3.434,1116 12.014,1117 15.481,1118 0.967,1119 24.259,1120 11.562,1121 2.463,1122 8.724,1123 21.507,1124 4.621,1125 13.113,1126 16.925,1128 26.616,1129 12.59,1130 1.849,1131 7.809,1132 23.376,1133 3.69,1134 14.281,1135 18.469,1136 0.942,1137 29.031,1138 13.703,1139 1.665,1140 5.4,1141 25.25,1142 3.355,1143 15.415,1144 19.957,1146 31.416,1147 14.768,1148 1.317,1149 4.441,1150 27.13,1151 2.615,1152 16.578,1153 21.489,1154 0.917,1155 33.827,1156 15.87,1157 1.075,1158 2.994,1159 29.015,1160 2.437,1161 17.73,1162 22.998,1164 36.226,1165 16.953,1166 3049,1167 5056,1168 13.929,1169 22.659,1170 32.553,1171 32.734,1172 33.176,1173 32.142,1174 32.098,1175 45.327,1176 1.96,1177 94.216,1178 31.212,1179 5.314,1180 5.509,1181 6.604,1182 5.223,1183 5.24,1184 7.621,1185 1.96,1186 18.537,1187 5.055,1188 8.913,1189 1.55,1190 1.559,1191 1.58,1192 1.531,1193 1.528,1194 2.158,1195 0.093,1196 4.486,1197 1.486,1198 4.183,1199 4.232,1200 4.152,1201 4.036,1202 7.437,1203 4.058,1204 3.851,1205 3.882,1206 3.783,1207 3.784,1208 4.999,1209 3.781,1210 3.563,1211 3.607,1212 3.505,1213 3.388,1214 4.868,1215 3.409,1216 3.18,1217 3.271,1218 3.054,1219 2.946,1220 4.702,1221 2.959,1222 3.093,1223 3.166,1224 2.935,1225 2.864,1226 4.178,1227 2.872,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.878,1233 2.715,1234 2.818,1235 2.889,1236 2.672,1237 2.681,1238 3.674,1239 2.673,1240 2.655,1241 2.748,1242 2.45,1243 2.437,1244 3.578,1245 2.434,1246 0.222,1247 0.167,1248 0.324,1249 0.199,1250 0.154,1251 4.67,1252 0.22,1253 3.509,1254 0.047,1255 6.802,1256 0.532,1257 4.181,1258 0.145,1259 3.24,1260 4.621,1261 0.98,1262 11.171,1263 3.055,1264 1.929,1265 1.893,1266 2.032,1267 2.092,1268 1.136,1269 2.069,1270 1.918,1271 1.888,1272 2.008,1273 2.004,1274 1.113,1275 2.014,1276 1.504,1277 1.443,1278 1.706,1279 1.719,1280 0.788,1281 1.719,1282 1.26,1283 1.214,1284 1.422,1285 1.564,1286 0.472,1287 1.522,1288 1.025,1289 0.938,1290 1.334,1291 1.278,1292 0.222,1293 1.31,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 0.824,1301 0.759,1302 1.083,1303 1.013,1304 0.166,1305 1.042,1306 0.623,1307 0.526,1308 0.95,1309 0.901,1311 0.924,1312 3.761,1314 5.094,1315 2.398,1316 6.629,1317 4.844,1318 8.252,1319 7.034,1320 9.92,1322 2.002,1326 5.302,1340 21.676,1341 49.804,1342 107.529,1343 128.549,1344 146.2,1345 151.71,1346 151.71,1347 22.566,1348 6.662,1349 51.38,1350 51.38,1351 17,1352 12.314,1353 4.17,1354 3.322,1355 27.745,1356 54,1357 46,1358 0.274,1359 134.899,1360 220.27,1361 320.914,1362 5692,1364 13.405,1365 0.706,1366 0.559,1367 13.405,1368 10.629,1369 9.165,1370 0.436,1371 0.292,1372 6.05,1373 8.864,1374 5.89,1375 4.922,1376 9.165,1377 6.132,1378 8.398,1379 0.28,1380 0.154,1381 8.398,1382 4.608,1383 7.206,1384 0.176,1385 0.083,1386 7.206,1387 3.403,1388 5.958,1389 0.11,1390 0.044,1391 5.958,1392 2.371,1393 4.777,1394 0.07,1395 0.023,1396 4.777,1397 1.574,1398 0.412,1399 57.051,1400 0.268,1401 18.676,1402 0.804,1403 102,1404 267.026,1405 110.126,1406 266.061,1407 369.69,1408 248,1409 122,1410 281.538,1411 131.016,1412 287.964,1413 419.65,1414 271,1415 5.022}
{0 CHEMBL1085281,1 1.567,2 9.095,3 2.945,4 8.674,5 79.692,6 7.631,7 0.696,8 3.725,9 3.842,10 3.321,11 3.231,12 4.876,13 3.233,14 4.219,15 4.385,16 3.662,17 3.6,18 5.381,19 3.582,20 4.361,21 4.539,22 3.671,23 3.733,24 5.424,25 3.681,26 4.474,27 4.685,28 3.586,29 3.717,30 5.528,31 3.646,32 4.447,33 4.677,34 3.488,35 3.651,36 5.456,37 3.554,38 4.346,39 4.583,40 3.323,41 3.541,42 5.321,43 3.43,44 4.217,45 4.477,46 3.102,47 3.322,48 5.178,49 3.201,50 3.932,51 4.194,52 2.832,53 3.031,54 4.884,55 2.911,56 0.028,57 0.553,58 7.215,59 3.074,60 5.327,61 3.962,62 0.376,63 0.857,64 13.774,65 4.832,66 26.711,67 6.458,68 0.159,69 0.989,70 15.497,71 6.075,72 16.578,73 8.148,74 0.248,75 1.053,76 18.716,77 6.331,78 29.689,79 8.689,80 0.339,81 0.967,82 19.129,83 6.878,84 30.04,85 9.504,86 0.169,87 0.863,88 17.216,89 6.443,90 23.059,91 8.969,92 0.293,93 0.732,94 15.975,95 5.326,96 23.871,97 7.624,98 0.098,99 0.54,100 11.828,101 4.274,102 14.88,103 6.106,104 13,105 32,106 0.281,107 0.615,108 0.749,109 0.835,110 0.848,111 0.848,112 3.104,113 0.875,114 -3.02,115 -3.02,116 -2.91,121 43.2,126 2,144 7,145 1,146 1,148 1,153 2,161 1,163 1,176 7,179 1,180 1,182 1,183 2,185 1,187 6,189 2,192 2,195 1,197 1,200 3,203 3,206 4,214 1,216 2,218 2,219 4,226 1,227 3,229 1,232 1,237 1,239 4,246 2,249 2,251 3,256 2,261 2,264 1,269 4,274 1,281 515,282 14.301,283 14.301,284 14.301,285 14.301,286 14.301,287 12.276,288 10.92,289 8.45,290 14.717,291 11.293,292 11.293,293 11.293,294 11.293,295 11.293,296 8.205,297 12.595,298 3.966,299 11.856,300 3.642,301 1.775,302 1.025,303 0.548,304 0.473,305 0.473,306 3.783,310 1,311 1,312 1,313 406,314 2.828,317 43.006,318 115.584,321 80.273,325 1.537,326 11.723,327 1,328 1,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 45.5,338 191,339 4.666,340 3.642,341 6.8,342 4.175,343 3.236,344 4.616,345 2.186,346 11.164,347 3.043,348 4.058,349 3.261,350 6.013,351 3.649,352 2.682,353 3.644,354 0.366,355 8.557,356 2.592,357 3.792,358 2.66,359 5.47,360 3.4,361 2.444,362 3.194,364 7.238,365 2.319,366 3.463,367 2.347,368 5.028,369 3.007,370 2.051,371 2.725,373 5.618,374 1.943,375 3.157,376 1.827,377 4.684,378 2.683,379 1.722,380 2.437,382 4.863,383 1.661,384 3.138,385 1.677,386 4.531,387 2.614,388 1.665,389 2.407,391 4.434,392 1.564,393 2.65,394 1.461,395 3.641,396 2.175,397 1.196,398 1.716,400 2.819,401 1.168,402 2.5,403 1.24,404 3.393,405 2,406 1,407 1.5,409 2.136,410 1,411 2.172,412 1,413 3.247,414 1.702,415 0.73,416 1.032,418 1.853,419 0.707,420 1.509,421 0.781,422 2.905,423 1.245,424 0.385,425 0.412,427 0.578,428 0.328,429 1.214,430 0.481,431 2.593,432 0.795,433 -0.18,434 -0.228,436 -0.402,437 -0.171,438 0.996,439 -0.182,440 2.276,441 0.595,442 -0.371,443 -0.488,445 -0.965,446 -0.355,447 0.641,448 -0.344,449 2.257,450 0.187,451 -0.803,452 -1.093,454 -1.859,455 -0.79,456 0.577,457 -0.712,458 1.946,459 0.086,460 -0.896,461 -1.293,463 -2.347,464 -0.872,465 0.5,466 -0.845,467 1.678,469 -1,470 -1.5,472 -2.424,473 -1,474 9.867,475 0.47,476 0.486,477 0.023,478 29.25,479 1.393,480 15,481 0.714,482 14.25,483 0.679,484 13.059,485 0.622,486 22.233,487 0.601,488 20.515,489 0.977,490 6.175,491 0.294,492 4.011,493 0.191,494 0.135,496 0.334,501 0.838,502 1.479,503 0.75,504 1.136,505 0.605,506 0.955,507 0.822,508 0.925,509 0.827,510 0.743,511 0.501,512 0.773,513 0.823,514 1.198,515 0.979,516 1.098,517 0.754,518 1.065,519 1.114,520 1.098,521 1.16,522 1.05,523 1.082,524 1.084,525 0.822,526 0.912,527 0.998,528 0.982,529 0.913,530 1.019,531 0.788,532 1.072,533 0.98,534 1.116,535 0.777,536 1.088,537 0.809,538 0.823,539 0.995,540 0.925,541 0.89,542 0.976,543 0.692,544 1.077,545 0.855,546 1.129,547 0.707,548 1.038,549 4,550 0.037,551 2.222,552 1.889,553 1.049,554 0.684,555 0.364,556 0.278,557 0.142,558 0.066,559 4204,560 11632,561 2.074,562 43.2,564 13,565 2,567 1,572 1.632,573 1.938,574 3.178,575 -0.291,576 1,577 1,579 1,582 57.995,583 1.567,584 3.434,585 4.185,586 4.662,587 4.736,588 4.736,589 2.701,590 4.107,591 4.358,592 3.285,593 689.808,594 7.47,595 7178.9,596 1,597 1,598 1,599 1,600 192.75,601 1.418,602 4.322,603 0.174,604 0.005,605 0.069,606 0.059,607 0.037,608 0.027,609 0.017,610 0.017,611 0.012,612 0.007,613 0.426,614 0.83,615 1,616 1.238,617 94.352,618 -0.045,619 -0.317,620 0.064,621 -0.14,622 -0.069,623 -0.04,624 0.236,625 0.194,626 0.086,627 0.208,628 0.177,629 0.131,630 -0.067,631 -0.116,632 -0.101,633 -0.114,634 -0.043,635 -0.116,636 -0.201,637 -0.043,638 -0.221,639 -0.109,640 -0.111,641 -0.15,642 0.08,643 0.054,644 -0.027,645 -0.004,646 -0.027,647 -0.034,648 -0.02,649 -0.139,650 -0.018,651 -0.118,652 -0.002,653 -0.075,654 0.1,655 0.109,656 0.018,657 0.035,658 -0.008,659 0.019,660 0.083,661 -0.196,662 0.149,663 -0.136,664 0.109,665 -0.004,666 2.144,667 4.263,668 0.714,669 17.406,670 1.005,671 1.125,672 1.792,673 3.213,674 0.672,675 3.178,676 3.497,677 3.784,678 4.06,679 4.277,680 4.369,681 4.533,682 4.654,683 4.605,684 4.522,685 5.29,686 0.646,687 282.35,688 3.178,689 4.71,690 5.565,691 6.447,692 7.326,693 8.221,694 9.11,695 10.012,696 10.908,697 11.814,698 8.1,705 1,706 1,708 1,714 1,715 9,720 3,721 1,722 16,737 1,741 37,743 17,744 1,745 23,747 39,748 16,749 13,750 1,751 5,756 3,757 4,772 14,773 2,777 1,782 1,786 1,789 1,790 1,793 16,794 3,795 1,796 5,799 1,802 3,803 1,808 0.667,809 2,822 1,828 1,829 2,832 1,859 2,864 2,868 21,877 1,878 1,893 5.4,896 1,898 1,901 10.833,902 7.283,903 4.694,904 2.051,907 3.156,908 1.461,909 0.998,910 3.73,911 10.005,912 3.497,913 4.139,914 4.774,915 5.427,916 6.001,917 6.391,918 6.893,919 7.348,920 7.57,921 7.825,922 1,923 32,924 7.69,926 3.174,927 0.026,929 7.754,931 14.61,933 11.594,936 2.254,937 47.333,941 176.567,942 120.885,943 21.196,945 36.145,948 120.885,949 212.711,950 21.196,951 19.279,952 18.011,953 84.429,954 28.759,955 20.985,956 30.305,957 153.024,959 176.567,960 142.081,961 36.145,964 176.567,965 36.145,968 23.769,969 116.413,970 1.899,972 176.567,973 57.341,974 120.885,977 176.567,978 17.177,979 106.894,980 18.011,981 36.145,982 176.567,983 57.341,984 120.885,986 0.576,987 0.341,988 0.182,989 0.1,990 16,991 7,992 0.077,993 3,994 1,995 1.133,996 3.331,997 161.851,998 0.133,999 15,1000 88.239,1005 13.798,1006 5.676,1007 2.681,1008 1.032,1009 54.156,1010 17.872,1015 2.932,1016 2.108,1017 18.011,1018 354.793,1019 32,1024 11.263,1028 -0.478,1031 37.203,1032 41.613,1034 0.301,1035 0.659,1036 0.803,1037 0.895,1038 0.909,1039 0.909,1040 4.71,1041 1,1042 5.549,1043 2.819,1044 4.174,1045 4.824,1046 2.255,1047 6.372,1048 4.08,1049 5.935,1050 0.73,1051 7.114,1052 2.136,1053 3.761,1054 4.677,1055 1.784,1056 7.294,1057 3.6,1058 7.253,1059 0.385,1060 8.781,1061 1.853,1062 5.771,1063 7.104,1064 3.49,1065 10.424,1066 5.573,1067 8.613,1068 -0.18,1069 10.509,1070 0.578,1071 6.196,1072 7.818,1073 3.59,1074 12.206,1075 5.915,1076 10.005,1077 -0.371,1078 12.277,1079 -0.402,1080 7.677,1081 9.712,1082 4.905,1083 14.86,1084 7.366,1085 11.423,1086 -0.803,1087 14.073,1088 -0.965,1089 8.497,1090 10.849,1091 5.289,1092 17.003,1093 8.099,1094 12.862,1095 -0.896,1096 15.891,1097 -1.859,1098 9.771,1099 12.523,1100 6.387,1101 19.495,1102 9.336,1103 3.236,1104 -1,1105 17.726,1106 -2.347,1107 10.778,1108 13.868,1109 6.93,1110 21.791,1111 10.261,1112 2.682,1113 11.164,1114 19.575,1115 -2.424,1116 11.974,1117 15.451,1118 7.902,1119 24.228,1120 11.41,1121 2.444,1122 8.557,1123 21.434,1124 4.616,1125 13.066,1126 16.895,1127 8.539,1128 26.588,1129 12.426,1130 2.051,1131 7.238,1132 23.303,1133 3.644,1134 14.237,1135 18.441,1136 9.436,1137 29.006,1138 13.542,1139 1.722,1140 5.618,1141 25.179,1142 3.194,1143 15.369,1144 19.93,1145 10.13,1146 31.394,1147 14.603,1148 1.665,1149 4.863,1150 27.061,1151 2.725,1152 16.534,1153 21.463,1154 10.981,1155 33.807,1156 15.708,1157 1.196,1158 4.434,1159 28.948,1160 2.437,1161 17.685,1162 22.973,1163 11.71,1164 36.208,1165 16.791,1166 4163,1167 7020,1168 15.315,1169 24.875,1170 34.382,1171 35.666,1172 35.774,1173 34.168,1174 34.221,1175 47.367,1176 5.105,1177 98.52,1178 32.65,1179 5.456,1180 5.642,1181 6.602,1182 5.226,1183 5.236,1184 7.616,1185 3.889,1186 18.526,1187 5.043,1188 9.801,1189 1.495,1190 1.551,1191 1.555,1192 1.486,1193 1.488,1194 2.059,1195 0.222,1196 4.283,1197 1.42,1198 4.181,1199 4.231,1200 4.149,1201 4.031,1202 7.435,1203 4.053,1204 3.848,1205 3.881,1206 3.78,1207 3.778,1208 4.997,1209 3.775,1210 3.584,1211 3.623,1212 3.527,1213 3.353,1214 4.715,1215 3.38,1216 3.356,1217 3.404,1218 3.25,1219 3.085,1220 4.518,1221 3.127,1222 3.099,1223 3.19,1224 2.936,1225 2.905,1226 4.265,1227 2.9,1228 3.003,1229 3.086,1230 2.785,1231 2.735,1232 3.878,1233 2.73,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 3.692,1239 2.715,1240 2.818,1241 2.888,1242 2.671,1243 2.681,1244 3.674,1245 2.673,1246 0.203,1247 0.158,1248 0.296,1249 0.182,1250 0.141,1251 4.666,1252 0.201,1253 3.642,1254 0.095,1255 6.8,1256 0.485,1257 4.175,1258 0.132,1259 3.236,1260 4.616,1261 2.186,1262 11.164,1263 3.043,1264 1.921,1265 1.892,1266 2.032,1267 2.091,1268 1.133,1269 2.067,1270 1.913,1271 1.872,1272 2,1273 2.004,1274 1.109,1275 2.014,1276 1.502,1277 1.44,1278 1.704,1279 1.732,1280 0.787,1281 1.721,1282 1.325,1283 1.289,1284 1.605,1285 1.665,1286 0.584,1287 1.634,1288 1.131,1289 1.052,1290 1.391,1291 1.383,1292 0.47,1293 1.391,1294 0.956,1295 0.869,1296 1.223,1297 1.239,1298 0.236,1299 1.26,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.824,1307 0.759,1308 1.081,1309 1.012,1310 0.166,1311 1.041,1312 3.85,1314 5.165,1315 2.398,1316 6.681,1317 4.844,1318 8.286,1319 7.034,1320 9.94,1322 3.363,1329 2.661,1330 4.6,1340 23.918,1341 57.995,1342 127.059,1343 154.834,1344 172.485,1345 175.24,1346 175.24,1347 23.244,1348 6.849,1349 46.62,1350 46.62,1351 17,1352 12.334,1353 4.17,1354 3.322,1355 32.193,1356 67,1357 70,1358 0.249,1359 148.488,1360 246.36,1361 354.07,1362 7382,1364 14.82,1365 0.706,1366 0.57,1367 14.82,1368 11.96,1369 10.186,1370 0.443,1371 0.292,1372 6.575,1373 9.709,1374 6.379,1375 5.36,1376 10.186,1377 6.705,1378 9.009,1379 0.282,1380 0.152,1381 9.009,1382 4.861,1383 7.763,1384 0.181,1385 0.083,1386 7.763,1387 3.55,1388 6.363,1389 0.112,1390 0.043,1391 6.363,1392 2.468,1393 5.088,1394 0.072,1395 0.023,1396 5.088,1397 1.639,1398 0.382,1399 64.413,1400 0.256,1401 20.706,1402 0.703,1403 110,1404 323.782,1405 122.363,1406 311.44,1407 429.25,1408 292,1409 130,1410 321.492,1411 142.369,1412 326.868,1413 474.73,1414 305,1415 4.301}
{0 CHEMBL1085284,1 1.649,2 11.481,3 3.039,4 9.237,5 98.548,6 7.697,7 0.552,8 3.983,9 4.097,10 3.572,11 3.416,12 5.162,13 3.437,14 4.494,15 4.672,16 3.935,17 3.778,18 5.71,19 3.783,20 4.617,21 4.771,22 3.986,23 3.936,24 5.788,25 3.922,26 4.815,27 5.012,28 3.927,29 3.968,30 5.969,31 3.927,32 4.718,33 4.925,34 3.879,35 3.944,36 5.82,37 3.887,38 4.714,39 4.92,40 3.783,41 3.91,42 5.812,43 3.831,44 4.686,45 4.938,46 3.572,47 3.794,48 5.635,49 3.669,50 4.52,51 4.771,52 3.424,53 3.512,54 5.566,55 3.434,56 0.088,57 0.713,58 9.406,59 3.864,60 7.011,61 5.046,62 0.706,63 1.072,64 19.076,65 5.933,66 41.443,67 8.183,68 0.301,69 1.231,70 19.851,71 7.467,72 24.495,73 9.805,74 0.785,75 1.338,76 27.865,77 8.367,78 71.725,79 11.136,80 0.391,81 1.265,82 24.155,83 8.53,84 38.956,85 11.786,86 0.542,87 1.217,88 24.379,89 8.584,90 43.364,91 11.735,92 0.393,93 1.109,94 25.249,95 9.049,96 38.302,97 12.996,98 0.537,99 0.874,100 22.62,101 6.714,102 48.207,103 9.44,104 49,105 41,106 0.279,107 0.609,108 0.731,109 0.822,110 0.822,111 0.822,112 3.34,113 0.864,114 -2.87,115 -2.87,116 -2.78,121 39.6,126 4,144 7,145 1,146 1,148 1,153 1,155 1,161 2,163 1,176 6,179 4,180 4,182 1,183 3,185 1,187 5,189 2,192 4,197 1,200 2,203 3,205 2,206 9,211 1,213 1,214 1,216 3,219 8,224 1,227 4,232 4,234 3,237 2,239 6,243 1,244 2,249 2,251 4,256 5,258 2,268 2,269 6,272 1,281 1160,282 17.87,283 17.87,284 17.87,285 17.87,286 17.87,287 15.722,288 18.301,289 10.326,290 18.506,291 14.195,292 14.195,293 14.195,294 14.195,295 14.195,296 10.793,297 20.174,298 4.802,299 15.09,300 3.936,301 1.988,302 1.269,303 0.73,304 0.73,305 0.73,306 4.017,310 1,311 1,312 1,313 644,314 3.937,317 59.414,318 164.881,321 116.87,325 1.907,326 24.631,328 1,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 60,338 310,339 4.709,340 3.762,341 6.886,342 4.214,343 3.279,344 4.673,345 2.208,346 11.486,347 3.072,348 4.149,349 3.649,350 6.207,351 3.744,352 2.793,353 3.758,354 2.186,355 9.138,356 2.658,357 3.945,358 3.295,359 5.816,360 3.613,361 2.678,362 3.325,363 0.655,364 7.897,365 2.478,366 3.754,367 2.791,368 5.588,369 3.371,370 2.421,371 3.04,372 0.366,373 7.195,374 2.281,375 3.559,376 2.587,377 5.228,378 3.163,379 2.213,380 2.812,381 0.13,382 6.365,383 2.088,384 3.381,385 2.216,386 4.967,387 2.938,388 1.994,389 2.638,391 5.605,392 1.868,393 3.02,394 1.977,395 4.554,396 2.514,397 1.538,398 2.268,400 4.205,401 1.498,402 2.758,403 1.563,404 4.27,405 2.278,406 1.337,407 1.863,409 3.732,410 1.253,411 2.5,412 1.463,413 3.609,414 2.013,415 1.067,416 1.5,418 2.496,419 1,420 2.368,421 1.453,422 3.493,423 2,424 1,425 1.315,427 2.278,428 0.994,429 2.301,430 1.104,431 3.414,432 1.896,433 0.934,434 1.191,436 2.275,437 0.891,438 1.519,439 1,440 2.912,441 1.256,442 0.385,443 0.417,445 0.608,446 0.331,447 1.391,448 0.732,449 2.682,450 0.99,451 0.026,452 0.033,454 0.056,455 0.025,456 1.223,457 0.461,458 2.395,459 0.786,460 -0.192,461 -0.251,463 -0.453,464 -0.184,465 0.837,466 -0.063,467 2.3,468 0.443,469 -0.522,470 -0.671,472 -1.283,473 -0.497,474 12.433,475 0.46,476 0.771,477 0.029,478 35.75,479 1.324,480 17,481 0.63,482 18.75,483 0.694,484 19.692,485 0.729,486 29.867,487 0.622,488 29.583,489 1.096,490 7.647,491 0.283,492 5.254,493 0.195,494 0.214,496 0.378,501 0.827,502 1.683,503 0.742,504 1.298,505 0.594,506 1.042,507 0.711,508 0.741,509 0.737,510 0.624,511 0.459,512 0.66,513 1.001,514 1.386,515 0.97,516 1.231,517 0.768,518 1.11,519 1.384,520 0.909,521 1.197,522 0.862,523 1.444,524 0.967,525 0.86,526 1.117,527 0.943,528 1.089,529 0.854,530 1.036,531 0.866,532 1.01,533 1.099,534 1.125,535 0.969,536 1.158,537 0.588,538 1.072,539 0.883,540 1.17,541 0.558,542 1.116,543 1.127,544 0.81,545 0.957,546 0.873,547 1.008,548 0.883,549 6,550 0.185,551 3.556,552 2.076,553 1.806,554 1.056,555 0.671,556 0.443,557 0.271,558 0.19,559 8370,560 25857,561 1.992,562 43.8,564 19,565 1,567 1,572 1.7,573 1.82,574 3.472,575 -0.272,576 1,577 1,582 79.129,583 1.649,584 3.597,585 4.315,586 4.855,587 4.855,588 4.855,589 2.936,590 4.31,591 4.719,592 3.647,593 1279.93,594 8.191,595 16472.4,597 1,599 1,600 268.078,601 1.541,602 4.659,603 0.207,604 0.01,605 0.087,606 0.048,607 0.046,608 0.028,609 0.02,610 0.017,611 0.012,612 0.009,613 0.485,614 0.33,615 1,616 1.493,617 134.439,618 -0.062,619 -0.447,620 0.066,621 -0.227,622 -0.072,623 -0.082,624 0.3,625 0.401,626 0.199,627 0.334,628 0.206,629 0.259,630 -0.137,631 -0.256,632 -0.098,633 -0.19,634 -0.019,635 -0.142,636 -0.234,637 0.116,638 -0.216,639 0.093,640 -0.228,641 -0.036,642 -0.08,643 -0.085,644 -0.022,645 -0.068,646 -0.008,647 -0.032,648 -0.015,649 0.009,650 -0.167,651 -0.112,652 -0.097,653 -0.163,654 0.093,655 -0.167,656 0.08,657 -0.139,658 0.035,659 -0.053,660 -0.055,661 0.064,662 0.089,663 0.08,664 -0.013,665 0.109,666 2.201,667 4.641,668 0.556,669 28.549,670 1.015,671 1.133,672 1.637,673 2.678,674 0.652,675 3.401,676 3.738,677 4.007,678 4.248,679 4.5,680 4.615,681 4.779,682 4.92,683 4.949,684 4.963,685 6.687,686 0.634,687 369.44,688 3.401,689 4.949,690 5.802,691 6.686,692 7.566,693 8.459,694 9.351,695 10.251,696 11.15,697 12.055,698 8.3,705 2,706 1,708 1,714 1,715 8,720 4,721 1,722 16,737 2,741 48,743 18,744 1,745 29,747 50,748 19,749 13,750 2,751 4,756 3,757 4,772 15,773 4,777 2,782 2,786 2,789 1,790 1,793 21,794 6,795 1,796 8,799 1,802 4,803 1,808 0.667,809 4,822 1,828 1,829 2,832 1,859 2,864 4,868 27,877 1,878 2,881 1,893 8.3,896 2,898 2,901 14.833,902 9.983,903 6,904 2.582,907 3.358,908 1.453,909 0.96,910 5.674,911 10.769,912 3.689,913 4.314,914 4.921,915 5.543,916 6.129,917 6.536,918 7.021,919 7.487,920 7.776,921 8.107,922 0.875,923 43,924 9.909,926 4.078,927 0.026,929 7.914,931 18.486,933 14.358,936 2.414,937 65.167,940 1,941 235.422,942 140.207,943 24.321,945 72.29,948 140.207,949 307.712,950 24.321,951 36.072,952 21.135,953 75.381,954 53.904,955 36.8,956 25.296,957 223.651,959 235.422,960 164.528,961 72.29,964 235.422,965 72.29,968 29.222,969 133.407,970 1.899,972 235.422,973 96.61,974 140.207,977 235.422,978 28.754,979 117.763,980 18.011,981 72.29,982 235.422,983 96.61,984 140.207,986 0.586,987 0.344,988 0.168,989 0.097,990 19,991 10,992 0.1,993 5,994 1,995 1.133,996 3.78,997 226.714,998 0.133,999 15,1000 122.382,1005 19.197,1006 7.981,1007 4.067,1008 0.891,1009 93.425,1010 14.743,1015 2.934,1016 2.003,1017 18.011,1018 472.24,1019 39,1024 23.202,1028 -0.964,1031 48.727,1032 54.36,1034 0.295,1035 0.644,1036 0.773,1037 0.869,1038 0.869,1039 0.869,1040 4.927,1041 1.337,1042 5.808,1043 4.205,1044 4.419,1045 5.001,1046 2.929,1047 6.64,1048 4.302,1049 6.157,1050 1.067,1051 7.39,1052 3.732,1053 4.111,1054 4.934,1055 2.424,1056 7.6,1057 3.92,1058 7.481,1059 1,1060 9.07,1061 2.496,1062 6.038,1063 7.259,1064 4.187,1065 10.705,1066 5.797,1067 8.843,1068 0.934,1069 10.807,1070 2.278,1071 6.524,1072 8.022,1073 4.303,1074 12.496,1075 6.198,1076 10.236,1077 0.385,1078 12.58,1079 2.275,1080 7.955,1081 9.859,1082 5.62,1083 15.146,1084 7.586,1085 11.654,1086 0.026,1087 14.379,1088 0.608,1089 8.798,1090 11.022,1091 6.021,1092 17.297,1093 8.345,1094 13.09,1095 -0.192,1096 16.197,1097 0.056,1098 10.046,1099 12.67,1100 7.115,1101 19.798,1102 9.547,1103 3.279,1104 -0.522,1105 18.031,1106 -0.453,1107 11.059,1108 14.032,1109 7.673,1110 22.107,1111 10.48,1112 2.793,1113 11.486,1114 19.879,1115 -1.283,1116 12.242,1117 15.605,1118 8.642,1119 24.56,1120 11.61,1121 2.678,1122 9.138,1123 21.737,1124 4.673,1125 13.336,1126 17.062,1127 9.291,1128 26.94,1129 12.629,1130 2.421,1131 7.897,1132 23.604,1133 3.758,1134 14.501,1135 18.609,1136 10.187,1137 29.379,1138 13.735,1139 2.213,1140 7.195,1141 25.48,1142 3.325,1143 15.635,1144 20.109,1145 10.892,1146 31.79,1147 14.798,1148 1.994,1149 6.365,1150 27.362,1151 3.04,1152 16.799,1153 21.648,1154 11.744,1155 34.226,1156 15.9,1157 1.538,1158 5.605,1159 29.25,1160 2.812,1161 17.954,1162 23.169,1163 12.482,1164 36.652,1165 16.986,1166 8396,1167 14865,1168 18.611,1169 31.313,1170 43.744,1171 45.832,1172 46.026,1173 43.323,1174 43.33,1175 57.666,1176 11.091,1177 126.672,1178 40.872,1179 5.533,1180 5.762,1181 6.44,1182 5.281,1183 5.279,1184 7.673,1185 3.912,1186 19.011,1187 5.072,1188 16.851,1189 1.508,1190 1.58,1191 1.587,1192 1.494,1193 1.494,1194 1.988,1195 0.382,1196 4.368,1197 1.409,1198 4.186,1199 4.235,1200 4.156,1201 4.032,1202 7.436,1203 4.056,1204 3.871,1205 3.893,1206 3.82,1207 3.779,1208 7.432,1209 3.784,1210 3.625,1211 3.687,1212 3.547,1213 3.359,1214 4.998,1215 3.392,1216 3.54,1217 3.582,1218 3.47,1219 3.292,1220 4.776,1221 3.314,1222 3.389,1223 3.434,1224 3.284,1225 3.138,1226 4.512,1227 3.184,1228 3.123,1229 3.204,1230 2.965,1231 2.905,1232 4.331,1233 2.906,1234 3.035,1235 3.108,1236 2.897,1237 2.769,1238 4.216,1239 2.786,1240 2.984,1241 3.027,1242 2.754,1243 2.735,1244 4.008,1245 2.715,1246 0.162,1247 0.13,1248 0.237,1249 0.145,1250 0.113,1251 4.709,1252 0.161,1253 3.762,1254 0.076,1255 6.886,1256 0.396,1257 4.214,1258 0.106,1259 3.279,1260 4.673,1261 2.208,1262 11.486,1263 3.072,1264 1.919,1265 1.893,1266 2.011,1267 2.094,1268 1.133,1269 2.068,1270 1.911,1271 1.872,1272 1.999,1273 2.012,1274 1.111,1275 2.01,1276 1.538,1277 1.479,1278 1.785,1279 1.827,1280 0.836,1281 1.811,1282 1.478,1283 1.405,1284 1.694,1285 1.726,1286 0.781,1287 1.714,1288 1.304,1289 1.269,1290 1.604,1291 1.643,1292 0.583,1293 1.62,1294 1.126,1295 1.053,1296 1.417,1297 1.338,1298 0.469,1299 1.359,1300 0.996,1301 0.917,1302 1.38,1303 1.307,1304 0.459,1305 1.308,1306 0.934,1307 0.835,1308 1.225,1309 1.239,1310 0.221,1311 1.3,1312 4.078,1314 5.407,1315 2.398,1316 6.927,1317 4.844,1318 8.531,1319 7.05,1320 10.184,1322 6.514,1329 2.694,1330 9.916,1333 1.365,1340 30.423,1341 79.129,1342 172.652,1343 207.143,1344 233.059,1345 233.059,1346 233.059,1347 43.027,1348 7.411,1349 76.16,1350 76.16,1351 17,1352 12.575,1353 4.248,1354 3.459,1355 47.096,1356 106,1357 108,1358 0.219,1359 189.124,1360 324.2,1361 453.223,1362 15608,1364 19.552,1365 0.724,1366 0.579,1367 19.552,1368 15.646,1369 12.901,1370 0.445,1371 0.288,1372 8.148,1373 12.129,1374 7.845,1375 6.625,1376 12.901,1377 8.356,1378 11.764,1379 0.287,1380 0.152,1381 11.764,1382 6.237,1383 9.905,1384 0.183,1385 0.078,1386 9.905,1387 4.225,1388 7.508,1389 0.109,1390 0.04,1391 7.508,1392 2.773,1393 6.282,1394 0.071,1395 0.021,1396 6.282,1397 1.913,1398 0.345,1399 82.805,1400 0.232,1401 25.977,1402 0.599,1403 140,1404 472.898,1405 161.253,1406 444.241,1407 601.34,1408 414,1409 165,1410 444.866,1411 185.652,1412 447.931,1413 651.73,1414 415,1415 5.959}
{0 CHEMBL1085285,1 1.325,2 11.667,3 3.817,4 14.566,5 100.151,6 6.677,7 0.593,8 3.958,9 4.101,10 3.452,11 3.515,12 4.919,13 3.468,14 4.519,15 4.715,16 3.769,17 3.929,18 5.384,19 3.848,20 4.811,21 5.062,22 3.748,23 4.049,24 5.567,25 3.911,26 4.887,27 5.185,28 3.566,29 3.967,30 5.561,31 3.792,32 4.76,33 5.067,34 3.447,35 3.858,36 5.415,37 3.686,38 4.618,39 4.882,40 3.436,41 3.842,42 5.314,43 3.68,44 4.661,45 4.95,46 3.341,47 3.804,48 5.342,49 3.62,50 4.499,51 4.793,52 3.157,53 3.615,54 5.186,55 3.422,56 0.085,57 0.734,58 11.203,59 4.398,60 9.073,61 6.364,62 0.17,63 1.206,64 20.324,65 7.369,66 15.827,67 10.959,68 0.211,69 1.475,70 27.777,71 10.113,72 21.699,73 15.167,74 0.257,75 1.487,76 30.764,77 10.229,78 24.645,79 15.846,80 0.267,81 1.294,82 27.173,83 9.2,84 22.725,85 14.095,86 0.155,87 1.168,88 22.868,89 8.671,90 15.948,91 12.88,92 0.207,93 1.18,94 24.229,95 8.883,96 19.929,97 13.301,98 0.164,99 0.991,100 20.581,101 7.636,102 18.105,103 11.43,105 36,106 0.225,107 0.546,108 0.696,109 0.802,110 0.836,111 0.836,112 3.227,113 0.98,114 -4.56,115 -4.48,116 -4.22,121 41.7,123 2,124 1,127 4,144 9,145 2,148 1,155 1,172 1,176 12,180 5,184 1,185 3,187 11,192 5,195 1,197 5,200 5,206 3,211 5,214 3,219 2,222 1,224 3,227 8,232 2,239 10,244 1,247 1,249 1,251 9,255 1,256 1,261 2,264 3,269 2,274 3,277 1,281 806,282 16.861,283 16.861,284 16.861,285 16.861,286 16.861,287 14.953,288 18.133,289 10.268,290 17.094,291 13.381,292 13.381,293 13.381,294 13.381,295 13.381,296 10.634,297 25.729,298 4.933,299 13.753,300 4.26,301 2.373,302 1.493,303 0.867,304 0.667,305 0.667,306 3.935,310 1,311 1,312 1,313 626,314 2.449,317 55.262,318 229.149,321 103.405,325 1.972,326 9.228,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 50,338 280,339 4.524,340 3.111,341 6.526,342 4.035,343 3.063,344 4.473,345 0.916,346 10.265,347 2.977,348 3.941,349 3.016,350 5.617,351 3.687,352 2.724,353 3.457,354 0.4,355 7.789,356 2.628,357 3.615,358 2.576,359 5.344,360 3.467,361 2.472,362 2.785,363 0.172,364 6.973,365 2.458,366 3.407,367 2.302,368 5.116,369 3.065,370 2.118,371 2.615,373 6.035,374 1.997,375 3.152,376 2.049,377 4.944,378 2.911,379 1.953,380 2.318,382 5.771,383 1.866,384 3.046,385 1.546,386 4.185,387 2.528,388 1.546,389 2.229,391 3.763,392 1.516,393 2.823,394 1.519,395 3.602,396 2.416,397 1.422,398 1.925,400 3.044,401 1.413,402 2.648,403 1.265,404 3.586,405 2.185,406 1.204,407 1.713,409 2.814,410 1.178,411 2.5,412 1.077,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.155,421 1,422 3.286,423 1.984,424 1,425 1.042,427 2.136,428 0.983,429 2,430 0.93,431 3.247,432 1.78,433 0.819,434 1,436 1.896,437 0.785,438 1.702,439 0.536,440 3.018,441 1.433,442 0.462,443 0.568,445 1.09,446 0.447,447 1.219,448 0.283,449 2.77,450 1.019,451 0.057,452 0.064,454 0.143,455 0.055,456 0.779,457 -0.315,458 2.243,459 0.516,460 -0.464,461 -0.532,463 -1.099,464 -0.453,465 0.66,466 -0.659,467 2,468 0.204,469 -0.774,470 -0.965,472 -1.812,473 -0.753,474 11.6,475 0.483,476 0.376,477 0.016,478 29.75,479 1.24,480 14.5,481 0.604,482 15.25,483 0.635,484 19.308,485 0.805,486 25.6,487 0.533,488 17.829,489 0.743,490 5.749,491 0.24,492 6.133,493 0.256,496 0.25,501 0.936,502 1.222,503 0.897,504 1.05,505 0.81,506 0.984,507 1.233,508 1.16,509 1.063,510 1.066,511 0.929,512 1.052,513 0.979,514 1.187,515 1.062,516 1.147,517 0.77,518 1.118,519 1.215,520 1.029,521 1.027,522 0.977,523 0.966,524 0.983,525 1.169,526 0.755,527 0.953,528 0.795,529 1.06,530 0.844,531 0.921,532 1.032,533 1.062,534 1.085,535 1.06,536 1.086,537 0.93,538 0.911,539 1.042,540 1.007,541 1.169,542 1.03,543 0.753,544 0.997,545 0.986,546 1.055,547 1.015,548 1.044,549 3.5,550 0.062,551 2,552 0.979,553 0.716,554 0.306,555 0.331,556 0.205,557 0.083,558 0.093,559 7924,560 16196,561 2.213,562 50,564 17,567 2,569 5,572 1.66,573 2.182,574 3.5,575 0.214,577 1,582 63.601,583 1.325,584 3.212,585 4.092,586 4.718,587 4.918,588 4.918,589 2.924,590 4.168,591 4.558,592 3.673,593 1013.63,594 7.817,595 12529.9,597 1,599 1,600 268.078,601 0.811,602 4.56,603 0.13,604 0.005,605 0.056,606 0.03,607 0.028,608 0.013,609 0.014,610 0.01,611 0.005,612 0.007,613 0.295,614 0.33,615 1,617 117.023,618 0.139,619 -0.01,620 0.073,621 0.013,622 0.155,623 0.033,624 -0.056,625 -0.023,626 -0.079,627 -0.057,628 0.01,629 -0.068,630 0.022,631 -0.176,632 -0.085,633 -0.16,634 0.109,635 -0.137,636 -0.082,637 -0.08,638 -0.03,639 -0.041,640 -0.005,641 -0.033,642 -0.058,643 0.185,644 0.044,645 0.142,646 -0.095,647 0.109,648 -0.08,649 -0.063,650 -0.097,651 -0.085,652 -0.19,653 -0.091,654 -0.017,655 0.027,656 -0.067,657 -0.034,658 -0.172,659 -0.051,660 0.096,661 -0.082,662 -0.015,663 -0.079,664 -0.051,665 -0.061,666 0.641,667 1.346,668 0.875,669 22.75,670 0.984,671 1.128,672 3.33,673 11.091,674 0.659,675 3.332,676 3.611,677 3.871,678 4.111,679 4.29,680 4.234,681 4.344,682 4.466,683 4.443,684 4.533,685 6.862,686 0.612,687 320.48,688 3.332,689 4.844,690 5.68,691 6.532,692 7.381,693 8.238,694 9.091,695 9.951,696 10.807,697 11.668,698 8.3,701 1,703 1,706 1,708 1,714 2,715 9,716 1,717 1,720 2,722 16,734 1,741 48,743 16,744 2,745 27,747 51,748 20,749 13,750 3,751 9,756 4,757 5,767 2,768 1,770 2,772 13,773 7,774 1,790 1,793 24,794 3,795 2,796 4,802 4,808 0.75,820 1,828 1,829 3,832 1,855 1,859 3,868 24,876 6,877 1,880 1,881 1,901 11,902 8.233,903 5.306,904 3.011,907 2.869,908 1.393,909 1.019,910 4.7,911 10.176,912 3.584,913 4.139,914 4.708,915 5.269,916 5.703,917 5.794,918 6.111,919 6.416,920 6.117,921 6.287,922 0.875,923 33,924 8.88,926 3.727,927 0.026,929 7.375,931 17.777,933 15.019,936 1.875,937 45,938 0.001,940 1,941 258.964,942 109.009,943 54.461,948 109.009,949 258.964,950 54.461,952 13.492,953 85.286,954 34.674,955 30.018,957 258.964,959 258.964,960 163.47,964 200.109,965 58.856,968 37.751,969 91.045,970 34.674,972 258.964,973 54.461,974 109.009,977 258.964,978 23.722,979 88.411,980 34.674,981 16.663,982 258.964,983 54.461,984 109.009,986 0.568,987 0.328,988 0.18,989 0.096,990 18,991 6,992 0.098,993 5,994 1,995 1.095,996 3.909,997 188.507,998 0.095,999 21,1000 102.039,1005 15.523,1006 7.266,1007 3.753,1008 2.205,1009 37.798,1010 19.013,1011 4.346,1012 3.123,1015 2.468,1017 34.674,1018 422.434,1019 35,1031 47.243,1032 54.145,1034 0.237,1035 0.575,1036 0.733,1037 0.845,1038 0.881,1039 0.881,1040 4.787,1041 1.204,1042 5.617,1043 3.044,1044 4.29,1045 4.824,1046 1.038,1047 6.358,1048 4.236,1049 5.943,1050 1,1051 7.12,1052 2.814,1053 3.611,1054 4.388,1055 0.325,1056 7.096,1057 3.516,1058 7.211,1059 1,1060 8.724,1061 2.275,1062 5.808,1063 6.977,1064 0.697,1065 10.187,1066 5.696,1067 8.516,1068 0.819,1069 10.39,1070 2.136,1071 6.019,1072 7.52,1073 0.393,1074 11.84,1075 5.866,1076 9.862,1077 0.462,1078 12.099,1079 1.896,1080 7.603,1081 9.5,1082 0.537,1083 14.406,1084 7.436,1085 11.236,1086 0.057,1087 13.84,1088 1.09,1089 8.252,1090 10.537,1091 0.384,1092 16.446,1093 8.047,1094 12.634,1095 -0.464,1096 15.604,1097 0.143,1098 9.563,1099 12.245,1100 0.438,1101 18.843,1102 9.339,1103 3.063,1104 -0.774,1105 17.386,1106 -1.099,1107 10.437,1108 13.528,1109 0.351,1110 21.049,1111 10.178,1112 2.724,1113 10.265,1114 19.183,1115 -1.812,1116 11.624,1117 15.115,1118 0.366,1119 23.394,1120 11.343,1121 2.472,1122 7.789,1123 20.993,1124 4.473,1125 12.613,1126 16.513,1127 0.312,1128 25.67,1129 12.298,1130 2.118,1131 6.973,1132 22.812,1133 3.457,1134 13.746,1135 18.047,1136 0.309,1137 28,1138 13.406,1139 1.953,1140 6.035,1141 24.641,1142 2.785,1143 14.793,1144 19.499,1145 0.273,1146 30.305,1147 14.421,1148 1.546,1149 5.771,1150 26.476,1151 2.615,1152 15.905,1153 21.011,1154 0.262,1155 32.632,1156 15.507,1157 1.422,1158 3.763,1159 28.318,1160 2.318,1161 16.981,1162 22.487,1163 0.236,1164 34.949,1165 16.552,1166 7277,1167 10507,1168 19.068,1169 31.637,1170 39.913,1171 39.84,1172 39.975,1173 39.691,1174 39.682,1175 51.379,1176 2.978,1177 107.99,1178 38.609,1179 5.524,1180 5.111,1181 6.328,1182 5.079,1183 5.063,1184 7.473,1185 1.605,1186 16.922,1187 4.977,1189 1.478,1190 1.476,1191 1.481,1192 1.47,1193 1.47,1194 1.903,1195 0.11,1196 4,1197 1.43,1198 4.101,1199 4.146,1200 4.062,1201 3.987,1202 5.092,1203 3.998,1204 3.947,1205 3.994,1206 3.863,1207 3.865,1208 4.755,1209 3.859,1210 3.812,1211 3.861,1212 3.696,1213 3.701,1214 4.418,1215 3.692,1216 3.457,1217 3.534,1218 3.35,1219 3.254,1220 4.326,1221 3.27,1222 3.293,1223 3.375,1224 3.162,1225 3.104,1226 4.046,1227 3.107,1228 3.111,1229 3.206,1230 2.885,1231 2.941,1232 3.763,1233 2.91,1234 3.04,1235 3.129,1236 2.866,1237 2.856,1238 3.674,1239 2.851,1240 2.886,1241 2.95,1242 2.743,1243 2.768,1244 3.616,1245 2.755,1246 0.168,1247 0.115,1248 0.242,1249 0.149,1250 0.113,1251 4.524,1252 0.166,1253 3.111,1254 0.034,1255 6.526,1256 0.38,1257 4.035,1258 0.11,1259 3.063,1260 4.473,1261 0.916,1262 10.265,1263 2.977,1264 1.937,1265 1.904,1266 2.093,1267 2.069,1268 1.46,1269 2.081,1270 1.917,1271 1.89,1272 2.021,1273 1.995,1274 1.154,1275 2.005,1276 1.821,1277 1.769,1278 1.995,1279 1.944,1280 1.123,1281 1.963,1282 1.449,1283 1.366,1284 1.643,1285 1.758,1286 0.853,1287 1.721,1288 1.253,1289 1.177,1290 1.513,1291 1.509,1292 0.825,1293 1.509,1294 1.153,1295 1.064,1296 1.468,1297 1.376,1298 0.614,1299 1.429,1300 1.032,1301 0.953,1302 1.322,1303 1.28,1304 0.444,1305 1.303,1306 0.924,1307 0.87,1308 1.181,1309 1.082,1310 0.242,1311 1.107,1312 4.007,1314 5.293,1315 2.398,1316 6.777,1317 4.727,1318 8.343,1319 6.823,1320 9.949,1328 6.977,1329 3.565,1332 0.735,1333 2.567,1340 29.354,1341 63.601,1342 154.159,1343 196.429,1344 226.469,1345 236.078,1346 236.078,1347 26.966,1348 7.308,1349 43.95,1350 43.95,1351 23,1352 12.219,1353 4.087,1354 3.17,1355 34.226,1356 100,1357 88,1358 0.165,1359 179.729,1360 297.94,1361 430.299,1362 16163,1364 16.192,1365 0.675,1366 0.58,1367 16.192,1368 13.911,1369 11.882,1370 0.44,1371 0.327,1372 8.733,1373 11.585,1374 8.556,1375 7.094,1376 11.882,1377 8.816,1378 10.25,1379 0.285,1380 0.186,1381 10.25,1382 6.702,1383 8.785,1384 0.187,1385 0.106,1386 8.785,1387 4.985,1388 7.316,1389 0.122,1390 0.059,1391 7.316,1392 3.53,1393 5.915,1394 0.082,1395 0.036,1396 5.915,1397 2.58,1398 0.268,1399 73.268,1400 0.229,1401 24.101,1402 0.427,1403 126,1404 271.956,1405 133.299,1406 273.89,1407 388.6,1408 260,1409 146,1410 296.254,1411 154.77,1412 303.697,1413 440.85,1414 287,1415 6.921}
{0 CHEMBL1085382,1 1.387,2 11.538,3 4.206,4 17.687,5 103.539,6 6.74,7 0.414,8 4.033,9 4.156,10 3.527,11 3.59,12 5.017,13 3.547,14 4.619,15 4.802,16 3.922,17 4.031,18 5.585,19 3.961,20 4.908,21 5.121,22 3.957,23 4.212,24 5.746,25 4.102,26 5.027,27 5.271,28 3.83,29 4.2,30 5.86,31 4.046,32 5.006,33 5.297,34 3.742,35 4.033,36 5.843,37 3.881,38 4.759,39 5.007,40 3.573,41 3.805,42 5.712,43 3.692,44 4.539,45 4.78,46 3.498,47 3.659,48 5.527,49 3.561,50 4.436,51 4.656,52 3.343,53 3.572,54 5.51,55 3.477,56 0.042,57 0.727,58 11.908,59 5.133,60 7.631,61 7.008,62 0.35,63 1.239,64 22.592,65 8.722,66 32.789,67 12.337,68 0.228,69 1.576,70 30.47,71 11.861,72 26.343,73 16.681,74 0.264,75 1.685,76 34.929,77 13.334,78 39.304,79 18.927,80 0.285,81 1.552,82 35.169,83 12.488,84 45.684,85 18.093,86 0.415,87 1.165,88 27.963,89 9.442,90 47.741,91 12.867,92 0.209,93 0.979,94 21.861,95 7.776,96 31.865,97 10.762,98 0.397,99 0.905,100 20.174,101 6.338,102 46.703,103 8.67,104 11,105 42,106 0.233,107 0.55,108 0.754,109 0.851,110 0.869,111 0.869,112 3.304,113 0.98,114 -4.6,115 -4.52,116 -4.25,121 42.3,122 2,123 2,125 1,127 3,129 1,144 8,145 3,146 1,161 1,176 14,179 1,180 6,183 2,185 1,187 18,192 5,197 2,200 14,206 8,211 4,214 6,219 10,224 3,227 5,231 1,232 6,237 2,239 4,244 5,249 3,251 7,255 1,256 1,259 1,264 10,277 13,281 988,282 17.712,283 17.712,284 17.712,285 17.712,286 17.712,287 16.12,288 24.289,289 10.319,290 18.021,291 14.253,292 14.253,293 14.253,294 14.253,295 14.253,296 11.828,297 32.059,298 4.832,299 14.698,300 4.314,301 2.428,302 1.212,303 0.635,304 0.529,305 0.529,306 4.001,311 1,312 1,313 660,314 3.606,317 102.302,318 146.485,320 82.551,321 87.898,324 123.279,325 1.728,326 17.793,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 55,338 300,339 4.78,340 3.899,341 7.933,342 4.675,343 3.685,344 4.16,345 2.187,346 14.943,347 3.652,348 3.994,349 3.665,350 6.169,351 3.654,352 2.702,353 3.449,354 0.8,355 8.716,356 2.576,357 3.9,358 2.86,359 5.67,360 3.53,361 2.544,362 3.312,363 0.599,364 7.472,365 2.512,366 3.652,367 2.727,368 5.431,369 3.328,370 2.386,371 2.869,372 0.232,373 7.106,374 2.225,375 3.346,376 2.587,377 5.323,378 3.202,379 2.229,380 2.515,382 6.877,383 2.153,384 3.293,385 2.392,386 4.778,387 2.919,388 1.941,389 2.388,391 5.34,392 1.882,393 2.911,394 1.646,395 4.656,396 2.478,397 1.482,398 2.074,400 4.052,401 1.474,402 2.612,403 1.52,404 4.149,405 2.328,406 1.35,407 1.646,409 3.122,410 1.317,411 2.5,412 1.167,413 3.625,414 2.113,415 1.121,416 1.5,418 2.988,419 1.111,420 2.291,421 1.071,422 3.329,423 2,424 1,425 1.276,427 2.136,428 1,429 1.8,430 1,431 3.247,432 1.657,433 0.681,434 0.723,436 1.481,437 0.663,438 1.725,439 0.866,440 3.112,441 1.529,442 0.581,443 0.652,445 1.253,446 0.545,447 1.387,448 0.704,449 2.846,450 1.173,451 0.196,452 0.219,454 0.382,455 0.19,456 0.961,457 0.294,458 2.726,459 0.733,460 -0.229,461 -0.258,463 -0.528,464 -0.217,465 0.788,466 -0.102,467 2.58,468 0.41,469 -0.58,470 -0.671,472 -1.316,473 -0.568,474 12.467,475 0.479,476 0.66,477 0.025,478 30.5,479 1.173,480 14,481 0.538,482 16.5,483 0.635,484 24.268,485 0.933,486 28.333,487 0.545,488 20.706,489 0.796,490 5.72,491 0.22,492 6.878,493 0.265,494 0.107,495 0.04,496 0.273,501 0.775,502 1.287,503 0.868,504 1.119,505 0.607,506 1.018,507 0.635,508 0.992,509 0.89,510 0.937,511 0.413,512 0.932,513 0.988,514 1.123,515 1.069,516 1.1,517 0.704,518 1.091,519 0.97,520 1.198,521 1.123,522 1.202,523 0.876,524 1.184,525 0.946,526 0.949,527 0.817,528 0.927,529 0.903,530 0.865,531 1.939,532 0.853,533 1.084,534 0.875,535 1.65,536 0.893,537 1.491,538 1.06,539 0.919,540 0.979,541 1.675,542 0.907,543 2.286,544 0.769,545 1.351,546 0.814,547 3.089,548 0.955,549 6,550 0.123,551 3.556,552 2.333,553 1.517,554 0.698,555 0.539,556 0.331,557 0.168,558 0.187,559 8622,560 17714,561 2.115,562 50,563 3,564 15,567 1,569 7,572 1.687,573 1.987,574 3.453,575 -0.408,577 1,582 72.104,583 1.387,584 3.273,585 4.489,586 5.065,587 5.171,588 5.171,589 2.936,590 4.393,591 4.67,592 3.622,593 1177.22,594 8.07,595 14793.1,597 1,599 1,600 296.423,601 1.508,602 4.629,603 0.207,604 0.006,605 0.085,606 0.056,607 0.045,608 0.023,609 0.021,610 0.013,611 0.008,612 0.01,613 0.473,614 0.33,615 1,616 0.721,617 128.125,618 0.003,619 -0.101,620 0.068,621 -0.024,622 -0.022,623 0.021,624 0.294,625 0.139,626 0.078,627 0.086,628 0.228,629 0.064,630 -0.086,631 -0.071,632 -0.105,633 -0.088,634 -0.024,635 -0.095,636 -0.057,637 -0.213,638 -0.154,639 -0.213,640 -0.01,641 -0.198,642 0.065,643 -0.03,644 0.179,645 0.016,646 0.111,647 0.1,648 -0.123,649 0.062,650 -0.019,651 0.065,652 -0.105,653 0.037,654 -0.033,655 -0.119,656 0.11,657 -0.013,658 -0.012,659 0.051,660 -0.274,661 0.259,662 -0.266,663 0.102,664 -0.404,665 -0.057,666 2.074,667 5.15,668 0.692,669 24.462,670 0.99,671 1.123,672 3.366,673 11.331,674 0.655,675 3.401,676 3.761,677 4.078,678 4.382,679 4.605,680 4.682,681 4.852,682 4.934,683 4.942,684 4.984,685 6.607,686 0.611,687 350.5,688 3.401,689 4.963,690 5.838,691 6.746,692 7.648,693 8.57,694 9.487,695 10.417,696 11.345,697 12.281,698 3.8,701 1,705 1,715 8,720 4,722 12,737 1,741 52,743 13,744 2,745 29,747 55,748 22,749 12,750 4,751 8,756 4,757 7,763 2,764 1,766 1,767 3,770 3,772 13,773 9,777 1,782 1,786 1,790 1,793 26,794 4,795 1,796 4,802 2,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 2,868 26,876 5,877 1,878 1,880 1,881 1,882 1,893 3.8,896 1,898 1,901 13.083,902 9.783,903 5.681,904 3.385,907 2.091,908 1.274,909 0.97,910 4.66,911 9.71,912 3.611,913 4.159,914 4.663,915 5.182,916 5.673,917 5.788,918 6.134,919 6.391,920 6.502,921 6.632,922 0.875,923 42,924 9.665,926 4.143,927 0.026,929 7.554,931 19.039,933 16.327,936 2.054,937 53.417,939 1,940 1,941 294.278,942 126.409,943 21.135,945 36.145,948 126.409,949 330.422,950 21.135,951 17.65,952 29.397,953 75.81,954 25.145,955 28.924,956 6.763,957 294.278,959 294.278,960 147.544,961 36.145,964 211.88,965 118.543,968 50.172,969 97.373,972 294.278,973 57.28,974 126.409,977 294.278,978 32.949,979 96.585,980 18.011,981 36.145,982 294.278,983 57.28,984 126.409,986 0.585,987 0.35,988 0.192,989 0.106,990 22,991 9,992 0.091,993 5,994 2,995 1.222,996 3.852,997 222.47,998 0.222,999 18,1000 116.211,1005 17.416,1006 6.958,1007 3.241,1009 57.28,1010 15.975,1015 4.435,1017 18.011,1018 477.967,1019 36,1024 12.15,1028 -0.407,1031 51.461,1032 58.398,1034 0.243,1035 0.574,1036 0.787,1037 0.889,1038 0.907,1039 0.907,1040 4.883,1041 1.35,1042 5.861,1043 4.052,1044 4.443,1045 4.844,1046 2.401,1047 6.767,1048 4.388,1049 6.081,1050 1.121,1051 7.483,1052 3.122,1053 4.205,1054 4.635,1055 1.847,1056 8.118,1057 4.139,1058 7.404,1059 1,1060 9.229,1061 2.988,1062 6.159,1063 6.934,1064 3.514,1065 11.265,1066 6.065,1067 8.764,1068 0.681,1069 11.059,1070 2.136,1071 6.804,1072 7.51,1073 3.598,1074 13.551,1075 6.713,1076 10.164,1077 0.581,1078 12.95,1079 1.481,1080 8.277,1081 9.331,1082 4.911,1083 16.354,1084 8.169,1085 11.591,1086 0.196,1087 14.886,1088 1.253,1089 9.312,1090 10.281,1091 5.292,1092 18.942,1093 9.212,1094 13.043,1095 -0.229,1096 16.856,1097 0.382,1098 10.643,1099 11.901,1100 6.39,1101 21.671,1102 10.534,1103 3.685,1104 -0.58,1105 18.852,1106 -0.528,1107 11.842,1108 13.053,1109 6.934,1110 24.342,1111 11.735,1112 2.702,1113 14.943,1114 20.868,1115 -1.316,1116 13.14,1117 14.574,1118 7.906,1119 27.053,1120 13.027,1121 2.544,1122 8.716,1123 22.898,1124 4.16,1125 14.402,1126 15.841,1127 8.544,1128 29.748,1129 14.287,1130 2.386,1131 7.472,1132 24.939,1133 3.449,1134 15.697,1135 17.312,1136 9.44,1137 32.454,1138 15.576,1139 2.229,1140 7.106,1141 26.988,1142 3.312,1143 16.984,1144 18.646,1145 10.136,1146 35.156,1147 16.857,1148 1.941,1149 6.877,1150 29.043,1151 2.869,1152 18.282,1153 20.09,1154 10.987,1155 37.861,1156 18.148,1157 1.482,1158 5.34,1159 31.102,1160 2.515,1161 19.579,1162 21.463,1163 11.717,1164 40.564,1165 19.438,1166 8133,1167 11802,1168 19.474,1169 34.057,1170 44.104,1171 44.918,1172 45.327,1173 43.797,1174 43.797,1175 53.565,1176 7.636,1177 131.737,1178 42.6,1179 5.743,1180 5.899,1181 7.735,1182 5.757,1183 5.685,1184 7.16,1185 3.89,1186 23.402,1187 5.652,1188 11.152,1189 1.521,1190 1.549,1191 1.563,1192 1.51,1193 1.51,1194 1.847,1195 0.263,1196 4.543,1197 1.469,1198 4.1,1199 4.133,1200 4.038,1201 4.029,1202 7.435,1203 4.027,1204 3.913,1205 3.947,1206 3.838,1207 3.849,1208 4.825,1209 3.841,1210 3.719,1211 3.762,1212 3.635,1213 3.578,1214 4.748,1215 3.582,1216 3.488,1217 3.538,1218 3.408,1219 3.251,1220 4.417,1221 3.262,1222 3.389,1223 3.468,1224 3.194,1225 3.194,1226 4.168,1227 3.2,1228 3.178,1229 3.244,1230 3.019,1231 3.037,1232 3.991,1233 3.023,1234 3.076,1235 3.184,1236 2.863,1237 2.881,1238 3.91,1239 2.852,1240 2.99,1241 3.022,1242 2.819,1243 2.774,1244 3.674,1245 2.802,1246 0.165,1247 0.134,1248 0.274,1249 0.161,1250 0.127,1251 4.78,1252 0.143,1253 3.899,1254 0.075,1255 7.933,1256 0.515,1257 4.675,1258 0.126,1259 3.685,1260 4.16,1261 2.187,1262 14.943,1263 3.652,1264 1.916,1265 1.895,1266 2.04,1267 2.012,1268 1.312,1269 2.02,1270 1.904,1271 1.876,1272 2.012,1273 1.981,1274 1.218,1275 1.993,1276 1.677,1277 1.623,1278 1.892,1279 1.863,1280 1.15,1281 1.876,1282 1.591,1283 1.52,1284 1.843,1285 1.768,1286 1.071,1287 1.796,1288 1.362,1289 1.312,1290 1.609,1291 1.652,1292 0.828,1293 1.624,1294 1.269,1295 1.186,1296 1.565,1297 1.491,1298 0.685,1299 1.534,1300 1.098,1301 1.027,1302 1.449,1303 1.328,1304 0.595,1305 1.371,1306 0.908,1307 0.87,1308 1.181,1309 1.184,1310 0.3,1311 1.17,1312 4.078,1314 5.425,1315 3.045,1316 6.973,1317 5.587,1318 8.617,1319 7.832,1320 10.321,1322 4.596,1328 4.984,1329 2.818,1330 5.544,1332 0.574,1333 2.576,1334 0.172,1340 31.794,1341 72.104,1342 170.181,1343 233.403,1344 263.403,1345 268.913,1346 268.913,1347 38.493,1348 7.619,1349 41.57,1350 41.57,1351 22,1352 12.781,1353 3.807,1354 3,1355 38.3,1356 103,1357 106,1358 0.182,1359 193.318,1360 339.02,1361 463.455,1362 21604,1364 18.148,1365 0.698,1366 0.596,1367 18.148,1368 15.495,1369 12.598,1370 0.434,1371 0.327,1372 9.378,1373 12.232,1374 9.092,1375 7.524,1376 12.598,1377 9.47,1378 11.523,1379 0.274,1380 0.18,1381 11.523,1382 7.564,1383 10.028,1384 0.173,1385 0.105,1386 10.028,1387 6.101,1388 8.465,1389 0.107,1390 0.058,1391 8.465,1392 4.599,1393 6.925,1394 0.07,1395 0.033,1396 6.925,1397 3.244,1398 0.29,1399 78.008,1400 0.227,1401 25.314,1402 0.489,1403 142,1404 341.449,1405 152.889,1406 331.33,1407 461.54,1408 312,1409 171,1410 347.064,1411 180.978,1412 351.837,1413 518.65,1414 332,1415 7.161}
{0 CHEMBL1085383,1 1.308,2 13.519,3 5.843,4 34.142,5 111.127,6 5.914,7 0.207,8 4.187,9 4.33,10 3.552,11 3.69,12 5.051,13 3.62,14 4.815,15 5.033,16 3.912,17 4.128,18 5.643,19 4.018,20 5.124,21 5.385,22 3.96,23 4.308,24 5.832,25 4.16,26 5.203,27 5.477,28 3.887,29 4.316,30 5.932,31 4.141,32 5.181,33 5.474,34 3.813,35 4.208,36 5.926,37 4.032,38 5.038,39 5.313,40 3.667,41 4.066,42 5.819,43 3.899,44 4.901,45 5.182,46 3.592,47 3.928,48 5.725,49 3.768,50 4.78,51 5.045,52 3.452,53 3.773,54 5.729,55 3.637,56 0.073,57 0.871,58 15.928,59 6.453,60 8.637,61 9.288,62 0.403,63 1.444,64 29.204,65 10.859,66 34.17,67 16.045,68 0.299,69 1.8,70 38.326,71 14.108,72 28.207,73 20.947,74 0.335,75 1.86,76 41.12,77 14.948,78 38.082,79 22.212,80 0.358,81 1.709,82 39.91,83 13.887,84 41.831,85 20.736,86 0.442,87 1.457,88 35.198,89 11.96,90 39.836,91 17.577,92 0.28,93 1.294,94 30.477,95 10.32,96 33.219,97 15.43,98 0.478,99 1.12,100 28.012,101 8.271,102 48.813,103 12.448,104 32,105 40,106 0.214,107 0.457,108 0.685,109 0.834,110 0.884,111 0.884,112 3.339,113 1.129,114 -5.06,115 -4.96,116 -4.64,121 36.5,122 3,123 8,125 1,127 3,129 1,144 3,145 2,146 1,161 1,176 14,179 1,180 6,183 2,185 1,187 16,192 6,197 1,200 14,206 8,211 3,214 8,219 8,224 3,227 9,231 1,232 4,237 3,239 7,244 5,249 4,251 7,255 1,256 3,259 1,264 7,269 3,277 9,281 1209,282 18.394,283 18.394,284 18.394,285 18.394,286 18.394,287 17.553,288 22.483,289 11.297,290 18.675,291 14.273,292 14.273,293 14.273,294 14.273,295 14.273,296 12.893,297 28.055,298 5.289,299 14.719,300 4.669,301 3.185,302 1.791,303 0.885,304 0.576,305 0.576,306 4.021,312 1,313 769,314 4.301,317 111.985,318 65.118,320 90.476,321 97.298,324 136.057,325 2.055,326 18.682,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 57,338 365,339 4.78,340 3.899,341 7.934,342 4.676,343 3.685,344 4.16,345 2.186,346 14.944,347 3.652,348 3.989,349 3.662,350 6.172,351 3.65,352 2.698,353 3.315,354 0.8,355 8.745,356 2.573,357 3.671,358 2.864,359 5.675,360 3.37,361 2.435,362 2.876,363 0.366,364 7.506,365 2.26,366 3.364,367 2.599,368 5.407,369 3.222,370 2.251,371 2.522,373 7.011,374 2.171,375 3.3,376 2.394,377 4.805,378 2.969,379 1.996,380 2.402,382 5.423,383 1.933,384 2.843,385 1.9,386 4.681,387 2.808,388 1.81,389 1.842,391 4.178,392 1.802,393 2.64,394 1.576,395 4.15,396 2.415,397 1.433,398 1.677,400 3.617,401 1.404,402 2.43,403 1.566,404 3.827,405 2.368,406 1.375,407 1.421,409 2.989,410 1.362,411 2.317,412 1.192,413 3.4,414 2.116,415 1.127,416 1.3,418 2.663,419 1.113,420 2.07,421 1.078,422 3.371,423 2.02,424 1.033,425 1.066,427 1.947,428 1.018,429 1.846,430 1.036,431 3.085,432 1.78,433 0.804,434 0.822,436 1.469,437 0.781,438 1.558,439 0.85,440 2.955,441 1.402,442 0.423,443 0.458,445 0.943,446 0.412,447 1.174,448 0.488,449 2.821,450 1.106,451 0.14,452 0.143,454 0.253,455 0.134,456 1.124,457 0.295,458 2.545,459 0.863,460 -0.109,461 -0.123,463 -0.232,464 -0.105,465 0.699,466 -0.077,467 2.401,468 0.467,469 -0.492,470 -0.514,472 -0.968,473 -0.469,474 12.967,475 0.48,476 0.592,477 0.022,478 24.5,479 0.907,480 8,481 0.296,482 16.5,483 0.611,484 31.904,485 1.182,486 32.033,487 0.508,488 15.291,489 0.566,490 3.74,491 0.139,492 9.34,493 0.346,494 0.141,495 0.039,496 0.224,501 0.799,502 1.476,503 1.038,504 1.323,505 0.621,506 1.217,507 0.629,508 1.133,509 0.99,510 1.087,511 0.393,512 1.068,513 0.939,514 1.071,515 0.992,516 1.035,517 0.658,518 1.016,519 0.986,520 1.103,521 1.048,522 1.097,523 0.859,524 1.079,525 1.109,526 0.993,527 0.925,528 0.969,529 1.148,530 0.934,531 1.608,532 0.945,533 1.083,534 0.951,535 1.401,536 0.971,537 1.283,538 1.112,539 0.96,540 1.038,541 1.474,542 0.98,543 2.321,544 0.802,545 1.263,546 0.831,547 3.08,548 0.927,549 5.5,550 0.11,551 3.333,552 2.396,553 1.366,554 0.799,555 0.553,556 0.322,557 0.257,558 0.135,559 9154,560 15285,561 2.026,562 57.1,563 17,564 10,567 1,569 8,572 1.696,573 1.895,574 3.64,575 -0.419,582 82.409,583 1.308,584 2.792,585 4.186,586 5.092,587 5.402,588 5.402,589 3.204,590 4.681,591 4.711,592 3.817,593 1339.64,594 8.161,595 17824.5,600 376.569,601 1.514,602 4.676,603 0.19,604 0.006,605 0.083,606 0.058,607 0.038,608 0.024,609 0.02,610 0.012,611 0.012,612 0.007,613 0.451,614 0.33,615 1,616 2.373,617 136.555,618 0.022,619 -0.128,620 0.059,621 -0.046,622 -0.002,623 0.002,624 0.305,625 0.055,626 0.061,627 0.025,628 0.247,629 0.02,630 -0.034,631 -0.004,632 0.013,633 0.004,634 0.019,635 0.013,636 -0.04,637 -0.082,638 -0.056,639 -0.086,640 0.016,641 -0.073,643 -0.04,644 0.064,645 -0.01,646 0.002,647 0.029,648 -0.074,649 0.007,650 -0.046,651 0.007,652 -0.11,653 -0.016,654 0.003,655 -0.152,656 0.053,657 -0.074,658 -0.019,659 -0.016,660 -0.185,661 0.186,662 -0.144,663 0.066,664 -0.298,665 -0.022,666 1.996,667 5.105,668 0.444,669 32.815,670 0.982,671 1.135,672 3.829,673 14.663,674 0.617,675 3.401,676 3.714,677 4.007,678 4.317,679 4.533,680 4.673,681 4.86,682 4.942,683 4.949,684 4.977,685 7.379,686 0.562,687 372.61,688 3.401,689 4.934,690 5.79,691 6.688,692 7.584,693 8.506,694 9.425,695 10.36,696 11.292,697 12.236,698 3.2,701 1,705 1,715 3,720 3,722 6,737 1,741 63,743 7,744 1,745 29,747 65,748 23,749 6,750 3,751 3,756 3,757 6,763 3,764 1,766 1,767 3,770 9,772 7,773 16,777 1,782 1,786 1,793 36,794 4,795 1,796 4,802 2,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 3,868 27,876 11,877 1,878 1,880 1,881 1,882 1,893 3.2,896 1,898 1,901 14.25,902 11.867,903 6.181,904 4.649,907 1.281,908 1.172,909 0.925,910 7.078,911 8.74,912 3.526,913 3.98,914 4.434,915 4.944,916 5.416,917 5.669,918 6.043,919 6.302,920 6.379,921 6.487,922 1,923 41,924 10.098,926 4.184,927 0.026,929 7.454,931 20.335,933 17.176,936 1.954,937 52.75,941 411.989,942 99.875,943 21.135,945 36.145,948 99.875,949 448.133,950 21.135,951 26.476,952 44.604,953 28.429,954 25.145,955 25.739,956 6.763,957 411.989,959 411.989,960 121.01,961 36.145,964 317.82,965 130.314,968 74.204,969 46.806,972 411.989,973 57.28,974 99.875,977 411.989,978 44.97,979 58.029,980 18.011,981 36.145,982 411.989,983 57.28,984 99.875,986 0.562,987 0.326,988 0.181,989 0.099,990 18,991 8,992 0.154,993 10,994 2,995 1.333,996 3.94,997 220.373,998 0.333,999 12,1000 126.382,1005 20.512,1006 9.317,1007 4.616,1009 57.28,1010 6.232,1015 3.482,1017 18.011,1018 569.143,1019 33,1024 12.105,1028 -0.329,1031 61.879,1032 71.474,1034 0.219,1035 0.467,1036 0.7,1037 0.852,1038 0.904,1039 0.904,1040 4.792,1041 1.375,1042 5.796,1043 3.617,1044 4.394,1045 4.663,1046 2.351,1047 6.696,1048 4.337,1049 5.951,1050 1.127,1051 7.41,1052 2.989,1053 4.111,1054 4.494,1055 1.847,1056 8.069,1057 4.039,1058 7.262,1059 1.033,1060 9.159,1061 2.663,1062 6.089,1063 6.68,1064 3.504,1065 11.231,1066 5.987,1067 8.618,1068 0.804,1069 10.997,1070 1.947,1071 6.735,1072 7.368,1073 3.598,1074 13.536,1075 6.639,1076 10.022,1077 0.423,1078 12.899,1079 1.469,1080 8.217,1081 9.086,1082 4.907,1083 16.346,1084 8.104,1085 11.459,1086 0.14,1087 14.847,1088 0.943,1089 9.27,1090 10.151,1091 5.29,1092 18.939,1093 9.166,1094 12.922,1095 -0.109,1096 16.827,1097 0.253,1098 10.607,1099 11.701,1100 6.387,1101 21.67,1102 10.494,1103 3.685,1104 -0.492,1105 18.831,1106 -0.232,1107 11.818,1108 12.943,1109 6.93,1110 24.342,1111 11.71,1112 2.698,1113 14.944,1114 20.853,1115 -0.968,1116 13.121,1117 14.425,1118 7.902,1119 27.054,1120 13.006,1121 2.435,1122 8.745,1123 22.888,1124 4.16,1125 14.39,1126 15.754,1127 8.539,1128 29.749,1129 14.274,1130 2.251,1131 7.506,1132 24.932,1133 3.315,1134 15.688,1135 17.205,1136 9.436,1137 32.455,1138 15.566,1139 1.996,1140 7.011,1141 26.983,1142 2.876,1143 16.979,1144 18.579,1145 10.13,1146 35.157,1147 16.851,1148 1.81,1149 5.423,1150 29.04,1151 2.522,1152 18.278,1153 20.016,1154 10.981,1155 37.862,1156 18.144,1157 1.433,1158 4.178,1159 31.1,1160 2.402,1161 19.576,1162 21.414,1163 11.71,1164 40.565,1165 19.435,1166 9141,1167 11993,1168 19.068,1169 38.864,1170 42.381,1171 43.579,1172 44.843,1173 42.431,1174 42.417,1175 48.009,1176 6.705,1177 123.37,1178 41.228,1179 5.743,1180 5.899,1181 7.897,1182 5.754,1183 5.685,1184 7.16,1185 3.889,1186 23.408,1187 5.652,1188 13.834,1189 1.461,1190 1.503,1191 1.546,1192 1.463,1193 1.463,1194 1.655,1195 0.231,1196 4.254,1197 1.422,1198 4.101,1199 4.134,1200 4.039,1201 4.029,1202 7.435,1203 4.027,1204 3.785,1205 3.851,1206 3.662,1207 3.648,1208 4.819,1209 3.631,1210 3.729,1211 3.778,1212 3.604,1213 3.591,1214 4.416,1215 3.593,1216 3.582,1217 3.652,1218 3.442,1219 3.393,1220 4.257,1221 3.386,1222 3.511,1223 3.583,1224 3.323,1225 3.37,1226 4.155,1227 3.349,1228 3.347,1229 3.403,1230 3.196,1231 3.11,1232 4.065,1233 3.129,1234 3.165,1235 3.242,1236 2.984,1237 3.006,1238 3.975,1239 2.991,1240 3.132,1241 3.234,1242 2.906,1243 2.932,1244 3.744,1245 2.912,1246 0.165,1247 0.134,1248 0.274,1249 0.161,1250 0.127,1251 4.78,1252 0.143,1253 3.899,1254 0.075,1255 7.934,1256 0.515,1257 4.676,1258 0.126,1259 3.685,1260 4.16,1261 2.186,1262 14.944,1263 3.652,1264 1.911,1265 1.893,1266 2.04,1267 1.998,1268 1.379,1269 2.003,1270 1.782,1271 1.718,1272 2.013,1273 1.948,1274 1.313,1275 1.98,1276 1.701,1277 1.64,1278 1.94,1279 1.893,1280 1.255,1281 1.911,1282 1.624,1283 1.564,1284 1.858,1285 1.795,1286 1.128,1287 1.815,1288 1.563,1289 1.489,1290 1.849,1291 1.763,1292 1.12,1293 1.796,1294 1.389,1295 1.315,1296 1.676,1297 1.611,1298 0.935,1299 1.64,1300 1.27,1301 1.204,1302 1.578,1303 1.551,1304 0.778,1305 1.558,1306 1.111,1307 1.039,1308 1.452,1309 1.35,1310 0.599,1311 1.382,1312 4.078,1314 5.389,1315 3.045,1316 6.903,1317 5.587,1318 8.531,1319 7.832,1320 10.233,1322 6.854,1328 12.512,1329 2.886,1330 5.572,1332 0.597,1333 2.645,1334 0.194,1340 35.428,1341 82.409,1342 175.898,1343 263.717,1344 320.794,1345 340.304,1346 340.304,1347 51.173,1348 7.458,1349 41.57,1350 41.57,1351 16,1352 12.732,1353 3,1354 2.322,1355 47.442,1356 117,1357 156,1358 0.199,1359 219.086,1360 387.5,1361 526.329,1362 17121,1364 19.278,1365 0.714,1366 0.643,1367 19.278,1368 17.351,1369 13.08,1370 0.451,1371 0.376,1372 10.821,1373 12.719,1374 10.48,1375 8.794,1376 13.08,1377 10.913,1378 11.378,1379 0.284,1380 0.212,1381 11.378,1382 8.473,1383 9.421,1384 0.174,1385 0.12,1386 9.421,1387 6.476,1388 7.97,1389 0.108,1390 0.067,1391 7.97,1392 4.924,1393 6.334,1394 0.069,1395 0.038,1396 6.334,1397 3.462,1398 0.321,1399 80.902,1400 0.229,1401 26.493,1402 0.522,1403 138,1404 305.449,1405 148.889,1406 293.188,1407 406.75,1408 276,1409 163,1410 305.064,1411 172.978,1412 307.111,1413 454.43,1414 290,1415 7.032}
{0 CHEMBL1085384,1 1.354,2 12.125,3 4.589,4 21.064,5 97.604,6 6.121,7 0.231,8 4.046,9 4.185,10 3.446,11 3.549,12 4.934,13 3.49,14 4.667,15 4.878,16 3.791,17 3.976,18 5.536,19 3.875,20 4.958,21 5.225,22 3.78,23 4.116,24 5.674,25 3.973,26 4.955,27 5.215,28 3.707,29 4.083,30 5.734,31 3.922,32 4.951,33 5.245,34 3.591,35 3.94,36 5.739,37 3.777,38 4.712,39 4.98,40 3.458,41 3.738,42 5.565,43 3.605,44 4.533,45 4.776,46 3.376,47 3.618,48 5.457,49 3.502,50 4.493,51 4.738,52 3.26,53 3.517,54 5.487,55 3.397,56 0.057,57 0.756,58 13.48,59 5.415,60 6.865,61 7.779,62 0.376,63 1.249,64 25.083,65 9.082,66 31.91,67 13.485,68 0.289,69 1.501,70 32.649,71 11.589,72 25.197,73 17.29,74 0.253,75 1.455,76 32.396,77 11.899,78 32.15,79 17.439,80 0.335,81 1.337,82 32.376,83 10.562,84 38.362,85 15.945,86 0.367,87 1.054,88 25.984,89 8.321,90 32.943,91 12.285,92 0.242,93 0.926,94 21.863,95 7.021,96 26.114,97 10.389,98 0.377,99 0.849,100 21.308,101 6.448,102 40.857,103 9.435,104 21,105 35,106 0.229,107 0.497,108 0.745,109 0.875,110 0.888,111 0.888,112 3.228,113 1.102,114 -4.4,115 -4.33,116 -4.09,121 37,122 2,123 6,124 1,127 3,129 1,144 3,145 2,146 1,161 1,176 11,179 1,180 6,183 2,185 1,187 13,192 4,197 1,200 10,206 8,211 3,214 6,219 7,224 3,227 3,231 1,232 4,237 3,239 4,244 4,249 2,251 5,255 1,256 3,259 1,264 6,277 8,281 868,282 16.585,283 16.585,284 16.585,285 16.585,286 16.585,287 15.731,288 21.27,289 10.13,290 16.904,291 12.779,292 12.779,293 12.779,294 12.779,295 12.779,296 11.381,297 25.418,298 4.743,299 13.238,300 4.401,301 2.816,302 1.352,303 0.584,304 0.509,305 0.509,306 3.912,311 1,312 1,313 620,314 3.742,317 96.256,318 55.881,320 78.093,321 83.256,324 117.245,325 1.885,326 17.011,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 51,338 291,339 4.469,340 3.669,341 6.875,342 4.267,343 3.284,344 4.007,345 2.186,346 11.519,347 3.232,348 3.907,349 3.517,350 6.012,351 3.624,352 2.681,353 3.141,354 0.8,355 8.537,356 2.527,357 3.653,358 2.857,359 5.431,360 3.361,361 2.419,362 2.798,363 0.366,364 7.162,365 2.255,366 3.327,367 2.497,368 5.12,369 2.985,370 2.02,371 2.516,373 5.785,374 1.937,375 3.048,376 2.134,377 4.796,378 2.842,379 1.853,380 2.168,382 5.418,383 1.83,384 2.797,385 1.875,386 4.436,387 2.756,388 1.757,389 1.795,391 3.902,392 1.749,393 2.462,394 1.488,395 3.792,396 2.306,397 1.335,398 1.458,400 3.49,401 1.292,402 2.286,403 1.461,404 3.772,405 2.213,406 1.225,407 1.271,409 2.729,410 1.205,411 2.254,412 1.129,413 3.265,414 2.076,415 1.084,416 1.231,418 2.308,419 1.074,420 1.674,421 0.894,422 3.127,423 1.548,424 0.577,425 0.616,427 1.222,428 0.558,429 1.571,430 0.764,431 2.811,432 1.485,433 0.507,434 0.527,436 0.894,437 0.493,438 1.33,439 0.603,440 2.606,441 1.167,442 0.195,443 0.21,445 0.342,446 0.188,447 0.956,448 0.281,449 2.392,450 0.766,451 -0.184,452 -0.192,454 -0.358,455 -0.174,456 0.814,457 -0.035,458 2.314,459 0.623,460 -0.382,461 -0.443,463 -0.802,464 -0.378,465 0.595,466 -0.423,467 2.092,468 0.171,469 -0.826,470 -0.992,472 -1.876,473 -0.82,474 11.467,475 0.478,476 0.448,477 0.019,478 23,479 0.958,480 8,481 0.333,482 15,483 0.625,484 24.93,485 1.039,486 28.133,487 0.521,488 14.077,489 0.587,490 3.781,491 0.158,492 7.943,493 0.331,494 0.116,496 0.297,501 0.791,502 1.472,503 0.986,504 1.297,505 0.588,506 1.179,507 0.63,508 1.153,509 0.998,510 1.103,511 0.389,512 1.084,513 0.976,514 0.968,515 0.974,516 0.962,517 0.668,518 0.96,519 0.948,520 1.167,521 1.022,522 1.156,523 0.92,524 1.11,525 1.23,526 0.952,527 0.923,528 0.913,529 1.269,530 0.887,531 1.642,532 0.897,533 1.028,534 0.881,535 1.555,536 0.892,537 1.705,538 1.143,539 1.135,540 1.087,541 1.98,542 1.055,543 2.11,544 0.902,545 1.251,546 0.939,547 2.708,548 0.999,549 4,550 0.077,551 2.222,552 1.576,553 1.103,554 0.545,555 0.416,556 0.291,557 0.176,558 0.115,559 6745,560 11986,561 2.064,562 55.6,563 9,564 10,567 1,569 10,572 1.663,573 1.946,574 3.524,575 -0.383,582 73.119,583 1.354,584 2.938,585 4.403,586 5.171,587 5.245,588 5.245,589 3.074,590 4.335,591 4.545,592 3.675,593 1014.34,594 7.822,595 12311.4,597 1,600 310.764,601 1.347,602 4.522,603 0.154,604 0.006,605 0.063,606 0.046,607 0.037,608 0.021,609 0.018,610 0.014,611 0.01,612 0.008,613 0.376,614 0.33,615 1,616 2.202,617 116.399,618 0.013,619 -0.145,620 0.063,621 -0.053,622 0.008,623 0.001,624 0.297,625 0.027,626 0.029,627 -0.013,628 0.243,629 -0.02,630 -0.058,631 0.068,632 0.014,633 0.044,634 0.009,635 0.042,636 -0.016,637 -0.165,638 -0.043,639 -0.13,640 0.019,641 -0.096,642 -0.034,643 -0.027,644 0.073,645 0.015,646 -0.028,647 0.051,648 -0.059,649 0.047,650 0.018,651 0.059,652 -0.11,653 0.047,654 -0.129,655 -0.134,656 -0.073,657 -0.108,658 -0.179,659 -0.087,660 -0.124,661 0.079,662 -0.147,663 -0.011,664 -0.189,665 -0.077,666 1.998,667 4.93,668 0.5,669 25.375,670 0.986,671 1.134,672 3.173,673 10.065,674 0.622,675 3.296,676 3.584,677 3.871,678 4.174,679 4.369,680 4.533,681 4.7,682 4.779,683 4.771,684 4.796,685 6.737,686 0.571,687 330.52,688 3.296,689 4.812,690 5.659,691 6.538,692 7.418,693 8.315,694 9.212,695 10.121,696 11.029,697 11.945,698 3.7,701 1,705 1,715 3,720 3,722 6,737 1,741 54,743 7,744 1,745 26,747 56,748 20,749 6,750 3,751 3,756 3,757 6,763 2,767 3,768 1,770 7,772 7,773 13,774 1,777 1,782 1,786 1,790 1,793 30,794 4,795 1,796 4,802 2,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 2,868 24,876 9,877 1,878 1,880 2,881 1,893 3.7,896 1,898 1,901 12.333,902 9.95,903 5.528,904 3.989,907 1.291,908 1.179,909 0.941,910 6.043,911 8.501,912 3.434,913 3.882,914 4.334,915 4.847,916 5.315,917 5.574,918 5.92,919 6.196,920 6.233,921 6.345,922 1,923 34,924 8.964,926 3.725,927 0.026,929 7.493,931 17.966,933 15.141,936 1.993,937 47.833,938 0.001,939 1,940 1,941 341.362,942 85.981,943 21.135,945 36.145,948 85.981,949 377.507,950 21.135,951 17.65,952 39.535,953 28.429,954 25.145,955 25.739,956 6.763,957 341.362,959 341.362,960 107.116,961 36.145,964 223.651,965 153.856,968 60.31,969 46.806,972 341.362,973 57.28,974 85.981,977 341.362,978 39.901,979 49.203,980 18.011,981 36.145,982 341.362,983 57.28,984 85.981,986 0.559,987 0.326,988 0.18,989 0.095,990 16,991 7,992 0.143,993 8,994 2,995 1.333,996 3.731,997 185.867,998 0.333,999 12,1000 108.039,1005 17.597,1006 8.241,1007 4.075,1009 57.28,1010 6.175,1015 3.495,1017 18.011,1018 484.622,1019 30,1024 11.93,1028 -0.331,1031 53.229,1032 61.228,1034 0.235,1035 0.511,1036 0.765,1037 0.899,1038 0.911,1039 0.911,1040 4.677,1041 1.225,1042 5.624,1043 3.49,1044 4.263,1045 4.564,1046 2.351,1047 6.438,1048 4.197,1049 5.809,1050 1.084,1051 7.175,1052 2.729,1053 3.761,1054 4.27,1055 1.847,1056 7.357,1057 3.657,1058 7.084,1059 0.577,1060 8.834,1061 2.308,1062 5.838,1063 6.543,1064 3.504,1065 10.505,1066 5.707,1067 8.395,1068 0.507,1069 10.558,1070 1.222,1071 6.236,1072 7.108,1073 3.598,1074 12.334,1075 6.08,1076 9.746,1077 0.195,1078 12.327,1079 0.894,1080 7.742,1081 8.879,1082 4.907,1083 14.998,1084 7.567,1085 11.123,1086 -0.184,1087 14.128,1088 0.342,1089 8.569,1090 9.838,1091 5.29,1092 17.196,1093 8.381,1094 12.522,1095 -0.382,1096 15.952,1097 -0.358,1098 9.857,1099 11.413,1100 6.387,1101 19.706,1102 9.655,1103 3.284,1104 -0.826,1105 17.796,1106 -0.802,1107 10.882,1108 12.57,1109 6.93,1110 22.052,1111 10.673,1112 2.681,1113 11.519,1114 19.654,1115 -1.876,1116 12.092,1117 14.055,1118 7.902,1119 24.514,1120 11.871,1121 2.419,1122 8.537,1123 21.524,1124 4.007,1125 13.205,1126 15.316,1127 8.539,1128 26.917,1129 12.977,1130 2.02,1131 7.162,1132 23.404,1133 3.141,1134 14.391,1135 16.756,1136 9.436,1137 29.365,1138 14.152,1139 1.853,1140 5.785,1141 25.292,1142 2.798,1143 15.543,1144 18.073,1145 10.13,1146 31.791,1147 15.295,1148 1.757,1149 5.418,1150 27.186,1151 2.516,1152 16.723,1153 19.49,1154 10.981,1155 34.235,1156 16.464,1157 1.335,1158 3.902,1159 29.085,1160 2.168,1161 17.893,1162 20.838,1163 11.71,1164 36.671,1165 17.623,1166 6689,1167 9065,1168 17.394,1169 33.58,1170 37.866,1171 38.874,1172 39.645,1173 37.904,1174 37.876,1175 43.474,1176 6.705,1177 106.615,1178 36.68,1179 5.431,1180 5.669,1181 6.828,1182 5.345,1183 5.284,1184 7.007,1185 3.889,1186 18.863,1187 5.232,1188 11.241,1189 1.456,1190 1.495,1191 1.525,1192 1.458,1193 1.457,1194 1.672,1195 0.258,1196 4.101,1197 1.411,1198 4.082,1199 4.116,1200 4.017,1201 4.007,1202 7.435,1203 4.005,1204 3.77,1205 3.836,1206 3.649,1207 3.624,1208 4.814,1209 3.609,1210 3.707,1211 3.757,1212 3.581,1213 3.562,1214 4.394,1215 3.565,1216 3.53,1217 3.6,1218 3.401,1219 3.314,1220 4.251,1221 3.316,1222 3.375,1223 3.455,1224 3.175,1225 3.209,1226 4.135,1227 3.188,1228 3.276,1229 3.332,1230 3.097,1231 3.069,1232 3.996,1233 3.071,1234 3.133,1235 3.211,1236 2.955,1237 2.937,1238 3.872,1239 2.942,1240 2.905,1241 2.981,1242 2.718,1243 2.757,1244 3.632,1245 2.738,1246 0.172,1247 0.141,1248 0.264,1249 0.164,1250 0.126,1251 4.469,1252 0.154,1253 3.669,1254 0.084,1255 6.875,1256 0.443,1257 4.267,1258 0.124,1259 3.284,1260 4.007,1261 2.186,1262 11.519,1263 3.232,1264 1.901,1265 1.883,1266 2.025,1267 1.991,1268 1.353,1269 1.995,1270 1.764,1271 1.698,1272 2.001,1273 1.935,1274 1.278,1275 1.966,1276 1.641,1277 1.575,1278 1.876,1279 1.854,1280 1.216,1281 1.864,1282 1.558,1283 1.494,1284 1.803,1285 1.745,1286 1.072,1287 1.761,1288 1.499,1289 1.423,1290 1.794,1291 1.707,1292 1.034,1293 1.742,1294 1.284,1295 1.213,1296 1.601,1297 1.517,1298 0.826,1299 1.545,1300 1.172,1301 1.111,1302 1.474,1303 1.46,1304 0.64,1305 1.47,1306 0.979,1307 0.91,1308 1.25,1309 1.224,1310 0.457,1311 1.24,1312 3.97,1314 5.263,1315 3.045,1316 6.746,1317 5.476,1318 8.334,1319 7.636,1320 9.988,1322 4.426,1328 9.969,1329 2.851,1330 5.484,1332 1.258,1333 2.578,1340 30.848,1341 73.119,1342 158.678,1343 237.77,1344 279.254,1345 283.254,1346 283.254,1347 39.287,1348 7.21,1349 41.57,1350 41.57,1351 16,1352 12.458,1353 3,1354 2.322,1355 39.647,1356 95,1357 122,1358 0.204,1359 190.309,1360 335.6,1361 456.113,1362 12501,1364 16.941,1365 0.706,1366 0.626,1367 16.941,1368 15.014,1369 11.724,1370 0.451,1371 0.367,1372 9.459,1373 11.354,1374 9.22,1375 7.688,1376 11.724,1377 9.551,1378 9.956,1379 0.284,1380 0.201,1381 9.956,1382 7.033,1383 8.368,1384 0.178,1385 0.118,1386 8.368,1387 5.523,1388 7.113,1389 0.111,1390 0.066,1391 7.113,1392 4.223,1393 5.493,1394 0.07,1395 0.036,1396 5.493,1397 2.811,1398 0.328,1399 72.766,1400 0.24,1401 23.934,1402 0.538,1403 122,1404 289.449,1405 132.889,1406 275.664,1407 381.09,1408 260,1409 143,1410 284.064,1411 152.645,1412 283.593,1413 419.12,1414 269,1415 6.682}
{0 CHEMBL1085385,1 1.392,2 10.545,3 3.677,4 13.521,5 88.402,6 6.301,7 0.25,8 3.94,9 4.075,10 3.368,11 3.442,12 4.856,13 3.392,14 4.555,15 4.761,16 3.728,17 3.871,18 5.461,19 3.782,20 4.834,21 5.091,22 3.716,23 4.01,24 5.587,25 3.881,26 4.83,27 5.08,28 3.638,29 3.973,30 5.653,31 3.825,32 4.826,33 5.114,34 3.508,35 3.817,36 5.654,37 3.669,38 4.546,39 4.795,40 3.364,41 3.603,42 5.466,43 3.487,44 4.366,45 4.586,46 3.228,47 3.487,48 5.327,49 3.373,50 4.333,51 4.587,52 3.08,53 3.397,54 5.261,55 3.257,56 0.044,57 0.679,58 11.81,59 4.725,60 5.977,61 6.762,62 0.357,63 1.123,64 22.267,65 7.922,66 30.436,67 11.772,68 0.27,69 1.345,70 29.06,71 10.133,72 23.737,73 15.098,74 0.229,75 1.299,76 28.821,77 10.472,78 31.035,79 15.286,80 0.326,81 1.182,82 29.054,83 9.223,84 37.974,85 13.897,86 0.333,87 0.896,88 22.275,89 7.248,90 33.835,91 10.414,92 0.223,93 0.793,94 18.562,95 6.123,96 26.391,97 8.823,98 0.303,99 0.755,100 17.958,101 5.692,102 30.444,103 8.413,104 19,105 33,106 0.242,107 0.532,108 0.778,109 0.885,110 0.885,111 0.885,112 3.146,113 1.069,114 -3.94,115 -3.9,116 -3.7,121 37.5,122 2,123 4,124 1,127 3,129 1,144 3,145 2,146 1,161 1,176 9,179 1,180 6,183 2,185 1,187 11,192 4,197 1,200 8,206 8,211 3,214 5,219 7,224 2,227 3,231 1,232 4,237 2,239 4,244 2,249 2,251 5,255 1,256 1,259 1,264 6,277 6,281 610,282 15.171,283 15.171,284 15.171,285 15.171,286 15.171,287 14.317,288 21.27,289 9.13,290 15.49,291 11.779,292 11.779,293 11.779,294 11.779,295 11.779,296 10.381,297 25.418,298 4.243,299 12.238,300 4.193,301 2.523,302 1.11,303 0.49,304 0.49,305 0.49,306 3.828,310 1,311 1,312 1,313 494,314 3.464,317 82.367,318 48.351,320 66.945,321 71.634,324 101.016,325 1.636,326 16.234,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 47,338 232,339 4.469,340 3.669,341 6.875,342 4.267,343 3.284,344 4.007,345 2.186,346 11.519,347 3.232,348 3.907,349 3.517,350 6.012,351 3.624,352 2.681,353 3.141,354 0.8,355 8.537,356 2.527,357 3.653,358 2.857,359 5.431,360 3.361,361 2.419,362 2.798,363 0.366,364 7.162,365 2.254,366 3.326,367 2.497,368 5.12,369 2.978,370 2.014,371 2.516,373 5.785,374 1.927,375 3.048,376 2.134,377 4.795,378 2.841,379 1.851,380 2.168,382 5.416,383 1.829,384 2.622,385 1.784,386 4.436,387 2.557,388 1.564,389 1.614,391 3.9,392 1.547,393 2.462,394 1.488,395 3.791,396 2.298,397 1.325,398 1.457,400 2.998,401 1.285,402 2.261,403 1.129,404 3.569,405 2.076,406 1.085,407 1.239,409 2.729,410 1.075,411 1.769,412 1.054,413 3.147,414 1.668,415 0.708,416 0.733,418 1.307,419 0.675,420 1.661,421 0.854,422 2.915,423 1.525,424 0.541,425 0.586,427 1.066,428 0.531,429 1.331,430 0.615,431 2.621,432 1.168,433 0.198,434 0.214,436 0.348,437 0.191,438 0.956,439 0.288,440 2.417,441 0.732,442 -0.209,443 -0.222,445 -0.424,446 -0.195,447 0.758,448 -0.043,449 2.341,450 0.567,451 -0.448,452 -0.52,454 -0.865,455 -0.447,456 0.593,457 -0.458,458 2.098,459 0.171,460 -0.826,461 -1.045,463 -2.169,464 -0.822,465 0.417,466 -0.699,467 2,468 0.101,469 -0.893,470 -1.079,472 -2.47,473 -0.879,474 10.467,475 0.476,476 0.448,477 0.02,478 22,479 1,480 8,481 0.364,482 14,483 0.636,484 21.482,485 0.976,486 25.533,487 0.532,488 13.565,489 0.617,490 3.781,491 0.172,492 6.943,493 0.316,494 0.127,496 0.325,501 0.787,502 1.468,503 0.945,504 1.276,505 0.584,506 1.147,507 0.626,508 1.115,509 0.956,510 1.056,511 0.385,512 1.038,513 0.998,514 0.966,515 0.983,516 0.959,517 0.68,518 0.959,519 0.969,520 1.189,521 1.036,522 1.18,523 0.936,524 1.13,525 1.273,526 0.906,527 0.93,528 0.882,529 1.303,530 0.865,531 1.681,532 0.903,533 1.058,534 0.916,535 1.594,536 0.924,537 1.79,538 1.206,539 1.247,540 1.155,541 2.134,542 1.151,543 1.489,544 0.926,545 1.2,546 0.983,547 2.022,548 1.049,549 4,550 0.069,551 2.222,552 1.576,553 1.103,554 0.545,555 0.375,556 0.26,557 0.176,558 0.115,559 4995,560 9588,561 2.07,562 54.2,563 5,564 10,567 1,569 10,572 1.642,573 1.941,574 3.342,575 -0.354,577 1,582 66.808,583 1.392,584 3.061,585 4.475,586 5.095,587 5.095,588 5.095,589 2.902,590 3.936,591 4.421,592 3.467,593 800.814,594 7.585,595 8820.83,597 1,599 1,600 268.078,601 1.395,602 4.392,603 0.167,604 0.007,605 0.067,606 0.049,607 0.039,608 0.023,609 0.018,610 0.014,611 0.012,612 0.01,613 0.406,614 0.5,615 1,616 1.923,617 101.974,618 0.005,619 -0.159,620 0.066,621 -0.059,622 -0.001,623 0.001,624 0.296,625 0.059,626 0.052,627 0.017,628 0.242,629 0.007,630 -0.076,631 0.076,632 0.001,633 0.045,634 -0.001,635 0.039,636 -0.03,637 -0.188,638 -0.062,639 -0.154,640 0.01,641 -0.119,642 -0.06,643 0.015,644 0.071,645 0.039,646 -0.047,647 0.07,648 -0.079,649 0.036,650 -0.01,651 0.045,652 -0.097,653 0.026,654 -0.21,655 -0.201,656 -0.193,657 -0.151,658 -0.264,659 -0.173,660 -0.06,661 0.071,662 -0.161,663 -0.039,664 -0.175,665 -0.108,666 2.01,667 4.772,668 0.545,669 20.223,670 0.989,671 1.133,672 2.713,673 7.359,674 0.626,675 3.219,676 3.526,677 3.829,678 4.143,679 4.344,680 4.511,681 4.673,682 4.754,683 4.745,684 4.762,685 5.892,686 0.579,687 302.46,688 3.219,689 4.745,690 5.602,691 6.491,692 7.378,693 8.283,694 9.186,695 10.1,696 11.012,697 11.931,698 4.2,701 1,705 1,715 3,720 3,722 6,737 1,741 48,743 7,744 1,745 24,747 50,748 18,749 6,750 3,751 3,756 3,757 6,763 2,767 3,768 1,770 5,772 7,773 11,774 1,777 1,782 1,786 1,789 1,790 1,793 26,794 4,795 1,796 4,802 2,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 2,868 22,876 7,877 1,878 1,880 2,881 1,893 4.2,896 1,898 1,901 11.333,902 8.95,903 5.028,904 3.489,907 1.304,908 1.184,909 0.946,910 4.918,911 8.374,912 3.367,913 3.839,914 4.307,915 4.831,916 5.305,917 5.566,918 5.909,919 6.188,920 6.225,921 6.332,922 1,923 32,924 8.203,926 3.435,927 0.026,929 7.538,931 16.333,933 13.807,936 2.038,937 44.833,938 0.001,940 1,941 294.278,942 80.911,943 21.135,945 36.145,948 80.911,949 330.422,950 21.135,951 17.65,952 34.466,953 28.429,954 25.145,955 25.739,956 6.763,957 294.278,959 294.278,960 102.047,961 36.145,964 176.567,965 153.856,968 55.241,969 46.806,972 294.278,973 57.28,974 80.911,977 294.278,978 34.832,979 49.203,980 18.011,981 36.145,982 294.278,983 57.28,984 80.911,986 0.564,987 0.333,988 0.186,989 0.099,990 16,991 7,992 0.12,993 6,994 2,995 1.333,996 3.483,997 169.331,998 0.333,999 12,1000 98.107,1005 15.666,1006 6.907,1007 3.271,1009 57.28,1010 6.143,1015 3.482,1017 18.011,1018 432.469,1019 28,1024 11.772,1028 -0.343,1031 47.461,1032 54.398,1034 0.249,1035 0.548,1036 0.801,1037 0.912,1038 0.912,1039 0.912,1040 4.62,1041 1.085,1042 5.58,1043 2.998,1044 4.205,1045 4.522,1046 2.351,1047 6.412,1048 4.135,1049 5.766,1050 0.708,1051 7.144,1052 2.729,1053 3.761,1054 4.27,1055 1.847,1056 7.357,1057 3.657,1058 7.051,1059 0.541,1060 8.813,1061 1.307,1062 5.802,1063 6.525,1064 3.504,1065 10.5,1066 5.667,1067 8.371,1068 0.198,1069 10.545,1070 1.066,1071 6.236,1072 7.108,1073 3.598,1074 12.334,1075 6.08,1076 9.729,1077 -0.209,1078 12.319,1079 0.348,1080 7.724,1081 8.873,1082 4.907,1083 14.997,1084 7.546,1085 11.112,1086 -0.448,1087 14.123,1088 -0.424,1089 8.569,1090 9.838,1091 5.29,1092 17.196,1093 8.381,1094 12.514,1095 -0.826,1096 15.949,1097 -0.865,1098 9.849,1099 11.411,1100 6.387,1101 19.706,1102 9.646,1103 3.284,1104 -0.893,1105 17.794,1106 -2.169,1107 10.882,1108 12.57,1109 6.93,1110 22.052,1111 10.673,1112 2.681,1113 11.519,1114 19.653,1115 -2.47,1116 12.089,1117 14.055,1118 7.902,1119 24.514,1120 11.868,1121 2.419,1122 8.537,1123 21.524,1124 4.007,1125 13.205,1126 15.316,1127 8.539,1128 26.917,1129 12.977,1130 2.014,1131 7.162,1132 23.404,1133 3.141,1134 14.39,1135 16.756,1136 9.436,1137 29.365,1138 14.151,1139 1.851,1140 5.785,1141 25.291,1142 2.798,1143 15.543,1144 18.073,1145 10.13,1146 31.791,1147 15.295,1148 1.564,1149 5.416,1150 27.186,1151 2.516,1152 16.723,1153 19.49,1154 10.981,1155 34.235,1156 16.464,1157 1.325,1158 3.9,1159 29.085,1160 2.168,1161 17.893,1162 20.838,1163 11.71,1164 36.671,1165 17.623,1166 4979,1167 7011,1168 16.008,1169 30.057,1170 35.352,1171 36.339,1172 37.184,1173 35.368,1174 35.342,1175 40.942,1176 6.705,1177 101.535,1178 34.145,1179 5.431,1180 5.669,1181 6.786,1182 5.341,1183 5.284,1184 7.007,1185 3.889,1186 18.863,1187 5.232,1188 10.488,1189 1.473,1190 1.514,1191 1.549,1192 1.474,1193 1.473,1194 1.706,1195 0.279,1196 4.231,1197 1.423,1198 4.082,1199 4.116,1200 4.017,1201 4.007,1202 7.435,1203 4.005,1204 3.739,1205 3.797,1206 3.642,1207 3.567,1208 4.814,1209 3.573,1210 3.683,1211 3.744,1212 3.542,1213 3.54,1214 4.395,1215 3.527,1216 3.43,1217 3.487,1218 3.305,1219 3.217,1220 4.243,1221 3.211,1222 3.346,1223 3.427,1224 3.141,1225 3.125,1226 4.102,1227 3.138,1228 3.169,1229 3.243,1230 2.986,1231 3.013,1232 3.904,1233 2.996,1234 2.993,1235 3.054,1236 2.784,1237 2.761,1238 3.828,1239 2.751,1240 2.88,1241 2.952,1242 2.716,1243 2.721,1244 3.568,1245 2.727,1246 0.186,1247 0.153,1248 0.286,1249 0.178,1250 0.137,1251 4.469,1252 0.167,1253 3.669,1254 0.091,1255 6.875,1256 0.48,1257 4.267,1258 0.135,1259 3.284,1260 4.007,1261 2.186,1262 11.519,1263 3.232,1264 1.901,1265 1.883,1266 2.003,1267 1.99,1268 1.279,1269 1.992,1270 1.7,1271 1.63,1272 1.97,1273 1.897,1274 1.254,1275 1.923,1276 1.64,1277 1.575,1278 1.876,1279 1.851,1280 1.216,1281 1.863,1282 1.557,1283 1.493,1284 1.802,1285 1.711,1286 1.071,1287 1.745,1288 1.323,1289 1.264,1290 1.615,1291 1.62,1292 0.826,1293 1.613,1294 1.263,1295 1.176,1296 1.593,1297 1.489,1298 0.754,1299 1.533,1300 1.016,1301 0.964,1302 1.258,1303 1.293,1304 0.458,1305 1.286,1306 0.878,1307 0.818,1308 1.179,1309 1.114,1310 0.255,1311 1.147,1312 3.892,1314 5.198,1315 3.045,1316 6.698,1317 5.476,1318 8.299,1319 7.636,1320 9.964,1322 4.339,1328 7.392,1329 2.793,1330 5.424,1332 1.26,1333 2.572,1340 27.794,1341 66.808,1342 146.951,1343 214.794,1344 244.568,1345 244.568,1346 244.568,1347 33.284,1348 7.07,1349 41.57,1350 41.57,1351 16,1352 12.442,1353 3,1354 2.322,1355 34.682,1356 78,1357 94,1358 0.227,1359 171.124,1360 301,1361 409.302,1362 10013,1364 15.527,1365 0.706,1366 0.618,1367 15.527,1368 13.6,1369 10.724,1370 0.447,1371 0.356,1372 8.459,1373 10.354,1374 8.24,1375 6.855,1376 10.724,1377 8.551,1378 9.249,1379 0.28,1380 0.192,1381 9.249,1382 6.326,1383 7.868,1384 0.175,1385 0.112,1386 7.868,1387 5.023,1388 6.759,1389 0.109,1390 0.062,1391 6.759,1392 3.848,1393 5.233,1394 0.069,1395 0.034,1396 5.233,1397 2.572,1398 0.357,1399 66.766,1400 0.25,1401 21.864,1402 0.619,1403 114,1404 281.449,1405 124.889,1406 267.34,1407 369.57,1408 252,1409 135,1410 276.064,1411 144.645,1412 275.27,1413 407.6,1414 261,1415 5.968}
{0 CHEMBL1085386,1 1.413,2 9.762,3 3.221,4 10.374,5 83.801,6 6.41,7 0.261,8 3.882,9 4.015,10 3.327,11 3.384,12 4.814,13 3.339,14 4.493,15 4.696,16 3.695,17 3.813,18 5.42,19 3.733,20 4.766,21 5.016,22 3.682,23 3.952,24 5.542,25 3.832,26 4.761,27 5.005,28 3.597,29 3.917,30 5.604,31 3.777,32 4.754,33 5.033,34 3.468,35 3.761,36 5.615,37 3.618,38 4.484,39 4.731,40 3.266,41 3.543,42 5.388,43 3.422,44 4.265,45 4.495,46 3.163,47 3.435,48 5.162,49 3.307,50 4.294,51 4.554,52 2.979,53 3.314,54 5.229,55 3.166,56 0.038,57 0.641,58 10.961,59 4.387,60 5.499,61 6.249,62 0.347,63 1.061,64 20.826,65 7.352,66 29.649,67 10.903,68 0.26,69 1.267,70 27.201,71 9.411,72 23.444,73 13.975,74 0.222,75 1.22,76 26.965,77 9.805,78 29.959,79 14.209,80 0.293,81 1.104,82 27.147,83 8.841,84 39.455,85 13.107,86 0.354,87 0.842,88 21.064,89 6.78,90 33.389,91 9.693,92 0.125,93 0.752,94 16.373,95 5.843,96 16.163,97 8.517,98 0.305,99 0.711,100 17.346,101 5.35,102 31.488,103 7.939,104 18,105 32,106 0.249,107 0.55,108 0.789,109 0.884,110 0.884,111 0.884,112 3.103,113 1.05,114 -3.71,115 -3.67,116 -3.49,121 37.8,122 2,123 3,124 1,127 3,129 1,144 3,145 2,146 1,161 1,176 8,179 1,180 6,183 2,185 1,187 10,192 4,197 1,200 8,206 8,211 2,214 5,219 7,224 2,227 3,231 1,232 2,237 2,239 4,244 2,249 2,251 5,255 1,256 1,259 1,264 4,277 4,281 533,282 14.464,283 14.464,284 14.464,285 14.464,286 14.464,287 13.61,288 21.27,289 8.63,290 14.783,291 11.279,292 11.279,293 11.279,294 11.279,295 11.279,296 9.881,297 25.418,298 3.989,299 11.744,300 4.078,301 2.371,302 1.017,303 0.478,304 0.478,305 0.478,306 3.784,310 1,311 1,312 1,313 437,314 3.317,317 75.703,318 44.779,320 61.594,321 66.101,324 93.246,325 1.51,326 15.613,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 45,338 205,339 4.469,340 3.669,341 6.875,342 4.267,343 3.284,344 4.007,345 2.186,346 11.519,347 3.232,348 3.907,349 3.517,350 6.012,351 3.624,352 2.681,353 3.141,354 0.8,355 8.537,356 2.527,357 3.652,358 2.857,359 5.431,360 3.36,361 2.418,362 2.798,363 0.366,364 7.161,365 2.252,366 3.326,367 2.497,368 5.12,369 2.971,370 2.007,371 2.515,373 5.785,374 1.92,375 3.048,376 2.134,377 4.794,378 2.84,379 1.851,380 2.168,382 5.411,383 1.829,384 2.466,385 1.691,386 4.436,387 2.364,388 1.387,389 1.462,391 3.898,392 1.349,393 2.44,394 1.488,395 3.791,396 2.286,397 1.307,398 1.421,400 2.729,401 1.274,402 2.26,403 1.129,404 3.383,405 2.076,406 1.084,407 1.237,409 2.502,410 1.075,411 1.67,412 0.887,413 3.132,414 1.535,415 0.555,416 0.603,418 1.197,419 0.542,420 1.352,421 0.677,422 2.771,423 1.235,424 0.293,425 0.304,427 0.497,428 0.274,429 1.282,430 0.542,431 2.587,432 1.107,433 0.126,434 0.135,436 0.205,437 0.123,438 0.956,439 0.251,440 2.375,441 0.668,442 -0.304,443 -0.357,445 -0.717,446 -0.291,447 0.598,448 -0.34,449 2.202,450 0.171,451 -0.825,452 -0.99,454 -1.8,455 -0.818,456 0.44,457 -0.663,458 2,459 0.104,460 -0.889,461 -1.075,463 -2.175,464 -0.863,465 0.136,466 -0.761,467 1.942,468 0.008,469 -1,470 -1.184,472 -2.597,473 -1.023,474 9.967,475 0.475,476 0.448,477 0.021,478 21.5,479 1.024,480 8,481 0.381,482 13.5,483 0.643,484 19.813,485 0.943,486 24.233,487 0.539,488 13.256,489 0.631,490 3.781,491 0.18,492 6.443,493 0.307,494 0.134,496 0.341,501 0.785,502 1.466,503 0.922,504 1.264,505 0.583,506 1.128,507 0.625,508 1.093,509 0.933,510 1.029,511 0.384,512 1.011,513 1.012,514 0.965,515 0.989,516 0.957,517 0.684,518 0.959,519 0.992,520 1.158,521 1.051,522 1.173,523 0.954,524 1.132,525 1.223,526 0.958,527 0.93,528 0.941,529 1.265,530 0.907,531 1.759,532 0.845,533 1.13,534 0.865,535 1.694,536 0.924,537 1.039,538 1.322,539 1.092,540 1.279,541 1.274,542 1.21,543 1.469,544 0.929,545 1.214,546 0.993,547 2.008,548 1.063,549 4,550 0.057,551 2.222,552 1.576,553 1.103,554 0.49,555 0.375,556 0.26,557 0.176,558 0.105,559 4266,560 8595,561 2.074,562 53.3,563 3,564 10,567 1,569 10,572 1.63,573 1.938,574 3.244,575 -0.338,576 1,577 1,579 1,582 63.607,583 1.413,584 3.121,585 4.475,586 5.014,587 5.014,588 5.014,589 2.743,590 4.202,591 4.355,592 3.354,593 704.423,594 7.458,595 7390.58,597 1,599 1,600 247.133,601 1.418,602 4.322,603 0.174,604 0.007,605 0.069,606 0.051,607 0.041,608 0.021,609 0.02,610 0.015,611 0.014,612 0.011,613 0.422,614 0.67,615 1,616 1.77,617 94.971,619 -0.168,620 0.067,621 -0.062,622 -0.006,623 0.001,624 0.294,625 0.078,626 0.064,627 0.035,628 0.241,629 0.024,630 -0.087,631 0.08,632 -0.008,633 0.046,634 -0.004,635 0.036,636 -0.049,637 -0.155,638 -0.08,639 -0.146,640 -0.005,641 -0.121,642 -0.048,643 -0.046,644 0.066,646 -0.013,647 0.042,648 -0.154,649 0.086,650 -0.082,651 0.09,652 -0.2,653 0.018,654 -0.044,655 -0.296,656 -0.111,657 -0.245,658 -0.112,659 -0.197,660 -0.064,661 0.041,662 -0.183,663 -0.07,664 -0.194,665 -0.137,666 2.02,667 4.656,668 0.571,669 18.091,670 0.991,671 1.133,672 2.475,673 6.126,674 0.629,675 3.178,676 3.497,677 3.807,678 4.127,679 4.331,680 4.489,681 4.663,682 4.736,683 4.727,684 4.736,685 5.493,686 0.584,687 288.43,688 3.178,689 4.71,690 5.572,691 6.466,692 7.358,693 8.266,694 9.173,695 10.088,696 11.002,697 11.922,698 4.4,701 1,705 1,715 3,720 3,722 6,737 1,741 45,743 7,744 1,745 23,747 47,748 17,749 6,750 3,751 3,756 3,757 6,763 2,767 3,768 1,770 4,772 7,773 10,774 1,777 1,782 1,786 1,789 1,790 1,793 24,794 4,795 1,796 4,802 2,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 2,868 21,876 6,877 1,878 1,880 2,881 1,893 4.4,896 1,898 1,901 10.833,902 8.45,903 4.778,904 3.239,907 1.311,908 1.188,909 0.95,910 4.388,911 8.304,912 3.332,913 3.818,914 4.294,915 4.823,916 5.301,917 5.554,918 5.906,919 6.182,920 6.216,921 6.316,922 0.857,923 31,924 7.822,926 3.289,927 0.026,929 7.563,931 15.517,933 13.141,936 2.063,937 43.333,938 0.001,941 270.735,942 78.377,943 21.135,945 36.145,948 78.377,949 306.88,950 21.135,951 17.65,952 31.931,953 28.429,954 25.145,955 25.739,956 6.763,957 270.735,959 270.735,960 99.512,961 36.145,964 153.024,965 153.856,968 52.706,969 46.806,972 270.735,973 57.28,974 78.377,977 270.735,978 32.298,979 49.203,980 18.011,981 36.145,982 270.735,983 57.28,984 78.377,986 0.568,987 0.338,988 0.19,989 0.104,990 16,991 7,992 0.106,993 5,994 2,995 1.333,996 3.36,997 160.978,998 0.333,999 12,1000 92.239,1005 14.705,1006 6.266,1007 2.889,1009 57.28,1010 6.121,1015 3.471,1017 18.011,1018 406.392,1019 27,1024 11.656,1028 -0.354,1031 44.578,1032 50.983,1034 0.257,1035 0.568,1036 0.815,1037 0.913,1038 0.913,1039 0.913,1040 4.59,1041 1.084,1042 5.557,1043 2.729,1044 4.174,1045 4.5,1046 2.351,1047 6.399,1048 4.102,1049 5.744,1050 0.555,1051 7.128,1052 2.502,1053 3.761,1054 4.27,1055 1.847,1056 7.357,1057 3.657,1058 7.035,1059 0.293,1060 8.803,1061 1.197,1062 5.784,1063 6.517,1064 3.504,1065 10.497,1066 5.646,1067 8.36,1068 0.126,1069 10.538,1070 0.497,1071 6.236,1072 7.108,1073 3.598,1074 12.334,1075 6.08,1076 9.721,1077 -0.304,1078 12.314,1079 0.205,1080 7.716,1081 8.87,1082 4.907,1083 14.996,1084 7.536,1085 11.106,1086 -0.825,1087 14.12,1088 -0.717,1089 8.569,1090 9.838,1091 5.29,1092 17.196,1093 8.381,1094 12.51,1095 -0.889,1096 15.948,1097 -1.8,1098 9.846,1099 11.411,1100 6.387,1101 19.706,1102 9.642,1103 3.284,1104 -1,1105 17.793,1106 -2.175,1107 10.882,1108 12.57,1109 6.93,1110 22.052,1111 10.673,1112 2.681,1113 11.519,1114 19.652,1115 -2.597,1116 12.088,1117 14.054,1118 7.902,1119 24.514,1120 11.866,1121 2.418,1122 8.537,1123 21.523,1124 4.007,1125 13.205,1126 15.316,1127 8.539,1128 26.917,1129 12.977,1130 2.007,1131 7.161,1132 23.403,1133 3.141,1134 14.389,1135 16.756,1136 9.436,1137 29.365,1138 14.15,1139 1.851,1140 5.785,1141 25.291,1142 2.798,1143 15.543,1144 18.073,1145 10.13,1146 31.791,1147 15.295,1148 1.387,1149 5.411,1150 27.186,1151 2.515,1152 16.723,1153 19.49,1154 10.981,1155 34.235,1156 16.464,1157 1.307,1158 3.898,1159 29.085,1160 2.168,1161 17.893,1162 20.838,1163 11.71,1164 36.671,1165 17.623,1166 4264,1167 6154,1168 15.315,1169 28.296,1170 33.918,1171 35.021,1172 35.864,1173 34,1174 33.986,1175 39.579,1176 6.705,1177 98.881,1178 32.792,1179 5.431,1180 5.669,1181 6.74,1182 5.336,1183 5.284,1184 7.007,1185 3.889,1186 18.863,1187 5.232,1188 10.105,1189 1.475,1190 1.523,1191 1.559,1192 1.478,1193 1.478,1194 1.721,1195 0.292,1196 4.299,1197 1.426,1198 4.081,1199 4.115,1200 4.016,1201 4.006,1202 7.435,1203 4.004,1204 3.728,1205 3.778,1206 3.639,1207 3.564,1208 4.814,1209 3.57,1210 3.652,1211 3.722,1212 3.513,1213 3.473,1214 4.395,1215 3.466,1216 3.391,1217 3.462,1218 3.234,1219 3.212,1220 4.238,1221 3.195,1222 3.308,1223 3.362,1224 3.125,1225 3.077,1226 4.082,1227 3.089,1228 3.135,1229 3.212,1230 2.961,1231 2.935,1232 3.884,1233 2.946,1234 2.882,1235 2.955,1236 2.717,1237 2.756,1238 3.709,1239 2.738,1240 2.806,1241 2.886,1242 2.56,1243 2.528,1244 3.566,1245 2.524,1246 0.194,1247 0.16,1248 0.299,1249 0.186,1250 0.143,1251 4.469,1252 0.174,1253 3.669,1254 0.095,1255 6.875,1256 0.501,1257 4.267,1258 0.141,1259 3.284,1260 4.007,1261 2.186,1262 11.519,1263 3.232,1264 1.901,1265 1.883,1266 2.002,1267 1.989,1268 1.278,1269 1.992,1270 1.645,1271 1.576,1272 1.923,1273 1.87,1274 1.216,1275 1.886,1276 1.638,1277 1.567,1278 1.876,1279 1.845,1280 1.157,1281 1.861,1282 1.557,1283 1.492,1284 1.802,1285 1.71,1286 1.071,1287 1.745,1288 1.287,1289 1.221,1290 1.601,1291 1.545,1292 0.826,1293 1.55,1294 1.178,1295 1.12,1296 1.453,1297 1.472,1298 0.531,1299 1.484,1300 0.958,1301 0.89,1302 1.241,1303 1.184,1304 0.455,1305 1.205,1306 0.806,1307 0.739,1308 1.098,1309 1.057,1310 0.169,1311 1.078,1312 3.85,1314 5.165,1315 3.045,1316 6.673,1317 5.476,1318 8.282,1319 7.636,1320 9.952,1322 4.257,1328 6.23,1329 2.742,1330 5.38,1332 1.261,1333 2.569,1340 26.267,1341 63.607,1342 140.43,1343 201.359,1344 225.624,1345 225.624,1346 225.624,1347 30.333,1348 6.993,1349 41.57,1350 41.57,1351 16,1352 12.433,1353 3,1354 2.322,1355 32.315,1356 69,1357 82,1358 0.24,1359 161.532,1360 283.7,1361 385.897,1362 8900,1364 14.82,1365 0.706,1366 0.614,1367 14.82,1368 12.893,1369 10.224,1370 0.445,1371 0.35,1372 7.959,1373 9.854,1374 7.75,1375 6.438,1376 10.224,1377 8.051,1378 8.895,1379 0.278,1380 0.187,1381 8.895,1382 5.972,1383 7.618,1384 0.173,1385 0.108,1386 7.618,1387 4.743,1388 6.569,1389 0.108,1390 0.061,1391 6.569,1392 3.707,1393 5.191,1394 0.069,1395 0.034,1396 5.191,1397 2.514,1398 0.373,1399 63.766,1400 0.256,1401 20.818,1402 0.666,1403 110,1404 277.449,1405 120.889,1406 263.179,1407 363.81,1408 248,1409 131,1410 272.064,1411 140.645,1412 271.107,1413 401.82,1414 257,1415 5.659}
{0 CHEMBL1085465,1 1.766,2 12.633,3 4.853,4 23.55,5 107.971,6 8.205,7 0.375,8 4.039,9 4.156,10 3.662,11 3.537,12 5.263,13 3.546,14 4.573,15 4.735,16 4.082,17 3.898,18 6.189,19 3.894,20 4.767,21 4.975,22 4.063,23 3.993,24 6.021,25 3.968,26 4.808,27 5.003,28 4.057,29 3.941,30 6.148,31 3.942,32 4.807,33 5.015,34 3.918,35 3.885,36 6.071,37 3.863,38 4.693,39 4.908,40 3.843,41 3.816,42 5.868,43 3.78,44 4.676,45 4.877,46 3.927,47 3.782,48 6.173,49 3.764,50 4.694,51 4.914,52 3.75,53 3.767,54 6.023,55 3.713,56 0.213,57 0.956,58 8.771,59 4.749,60 30.274,61 5.438,62 0.946,63 1.798,64 18.683,65 7.744,66 151.359,67 9.405,68 0.604,69 1.607,70 24.267,71 8.998,72 54.658,73 11.781,74 0.803,75 1.663,76 26.21,77 9.137,78 92.558,79 10.655,80 0.959,81 1.443,82 27.776,83 8.728,84 129.567,85 10.535,86 0.725,87 1.243,88 24.193,89 7.846,90 79.77,91 10.442,92 0.98,93 1.347,94 23.344,95 7.208,96 129.361,97 9.533,98 1.157,99 1.203,100 25.816,101 8.01,102 139.179,103 9.951,104 42,105 45,106 0.297,107 0.642,108 0.788,109 0.853,110 0.862,111 0.862,112 3.44,113 0.886,114 -6.23,115 -6.07,116 -5.64,121 41.2,122 1,123 3,127 1,134 1,144 7,145 4,146 1,156 1,160 2,165 1,166 1,167 1,168 2,176 13,179 1,180 7,182 1,183 1,185 1,187 14,189 1,191 1,192 12,194 1,195 1,197 2,200 9,203 2,206 16,211 2,214 6,216 2,219 12,221 1,222 1,224 2,227 5,229 2,231 2,232 8,237 2,239 7,241 2,243 3,244 4,249 3,251 10,253 3,255 1,256 3,261 1,264 13,266 1,269 2,271 1,272 1,274 1,277 11,279 1,281 1558,282 19.756,283 19.756,284 19.756,285 19.756,286 19.756,287 17.798,288 23.68,289 11.598,290 20.232,291 15.727,292 15.727,293 15.727,294 15.727,295 15.727,296 12.693,297 29.328,298 5.372,299 16.53,300 3.907,301 1.852,302 0.979,303 0.593,304 0.539,305 0.539,306 4.115,311 1,312 1,313 797,314 4.359,317 102.008,318 230.935,325 1.967,326 49.084,329 0.75,330 0.83,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.78,337 68.5,338 379,339 4.45,340 4.46,341 7.111,342 4.174,343 3.315,344 4.032,345 3.825,346 11.658,347 3.024,348 4.399,349 4.148,350 6.486,351 4.047,352 3.058,353 3.897,354 2.637,355 10.102,356 2.903,357 4.117,358 3.416,359 6.105,360 3.742,361 2.782,362 3.457,363 1.051,364 8.894,365 2.641,366 3.956,367 3.109,368 6.017,369 3.684,370 2.719,371 3.25,372 0.782,373 8.538,374 2.602,375 3.43,376 2.765,377 5.084,378 3.083,379 2.101,380 2.613,381 0.4,382 5.88,383 2.049,384 3.248,385 2.648,386 4.684,387 2.767,388 1.836,389 2.418,391 5.033,392 1.725,393 3.109,394 2.132,395 4.438,396 2.735,397 1.753,398 2.242,400 4.427,401 1.667,402 2.773,403 2.09,404 4.19,405 2.358,406 1.393,407 1.838,409 3.722,410 1.328,411 2.655,412 1.605,413 3.903,414 2.136,415 1.165,416 1.639,418 2.987,419 1.116,420 2.5,421 1.382,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.159,430 1.221,431 3.298,432 2,433 1,434 1.115,436 2.026,437 1,438 2.144,439 1,440 3.188,441 1.813,442 0.836,443 0.98,445 1.774,446 0.814,447 1.835,448 1,449 3,450 1.566,451 0.618,452 0.734,454 1.372,455 0.584,456 1.53,457 0.947,458 2.932,459 1.326,460 0.323,461 0.365,463 0.706,464 0.322,465 1.117,466 0.51,467 2.676,468 0.832,469 -0.183,470 -0.219,472 -0.345,473 -0.184,474 13.624,475 0.454,476 0.881,477 0.029,478 35.75,479 1.192,480 17,481 0.567,482 18.75,483 0.625,484 25.647,485 0.855,486 33.776,487 0.662,488 31.064,489 1.035,490 7.341,491 0.245,492 6.95,493 0.232,494 0.153,495 0.037,496 0.286,498 3,501 0.561,502 0.962,503 0.671,504 1.061,505 0.605,506 0.952,507 0.418,508 0.847,509 0.675,510 1.043,511 0.358,512 0.982,513 0.621,514 0.904,515 0.761,516 1.023,517 0.487,518 0.959,519 1.163,520 1.12,521 1.039,522 1.13,523 1.028,524 1.057,525 1.185,526 0.884,527 1.146,528 0.976,529 1.054,530 1.028,531 0.777,532 0.744,533 0.907,534 0.948,535 0.69,536 0.973,537 0.765,538 0.599,539 0.966,540 0.94,541 0.754,542 1.023,543 0.95,544 0.705,545 1.146,546 0.881,547 1.038,548 1.029,549 7,550 0.215,551 4.444,552 1.965,553 1.366,554 1.208,555 0.853,556 0.431,557 0.274,558 0.217,559 12177,560 42514,561 1.985,562 41.2,563 7,564 9,566 1,567 2,568 2,572 1.726,573 1.827,574 3.612,575 0.276,582 90.061,583 1.766,584 3.82,585 4.694,586 5.079,587 5.133,588 5.133,589 3.057,590 4.323,591 4.878,592 3.828,593 1665.02,594 8.494,595 24072.6,597 1,600 289.294,601 1.636,602 4.812,603 0.219,604 0.009,605 0.099,606 0.044,607 0.032,608 0.033,609 0.024,610 0.012,611 0.009,612 0.009,613 0.488,614 0.17,615 0.88,616 1.052,617 156.643,618 0.025,619 0.017,620 0.028,621 0.018,622 -0.08,623 0.02,624 0.399,625 0.19,626 0.165,628 0.427,629 -0.006,630 0.027,631 -0.098,632 0.113,633 -0.046,634 0.086,635 0.042,636 -0.177,637 -0.16,638 -0.096,639 -0.147,640 -0.101,641 -0.098,642 -0.206,643 -0.052,644 -0.178,645 -0.032,646 -0.156,647 -0.076,648 -0.047,649 -0.079,650 0.015,651 -0.017,652 -0.037,653 0.01,654 0.14,655 0.202,656 -0.03,657 -0.023,658 0.135,659 -0.095,660 0.033,661 0.15,662 -0.158,663 0.069,664 -0.084,665 -0.062,666 5.695,667 5.517,668 0.567,669 32.729,670 1.028,671 1.149,672 5.001,673 25.012,674 0.654,675 3.497,676 3.829,677 4.043,678 4.22,679 4.357,680 4.489,681 4.575,682 4.431,683 4.466,684 4.511,685 7.606,686 0.646,687 418.46,688 3.497,689 5.043,690 5.878,691 6.751,692 7.603,693 8.479,694 9.337,695 10.212,696 11.073,697 11.949,698 7.8,699 1,704 1,707 2,715 7,720 5,722 12,741 51,743 15,744 2,745 32,747 53,748 21,749 12,750 5,751 7,752 2,756 3,757 3,759 1,763 2,767 1,769 1,770 3,772 15,773 6,777 3,782 1,784 1,785 2,786 2,791 3,793 21,794 9,795 2,796 9,802 4,804 1,808 1,809 2,828 1,829 2,851 1,859 3,864 1,866 3,868 30,869 1,876 4,878 1,881 1,882 1,892 3,893 3.9,896 1,898 1,901 16.417,902 9.362,903 6.611,904 3.155,907 2.903,908 1.403,909 0.965,910 6.785,911 10.113,912 3.738,913 4.29,914 4.808,915 5.302,916 5.768,917 6.043,918 6.355,919 6.38,920 6.602,921 6.911,922 1,923 45,924 11.527,926 5.321,927 0.026,929 8.281,931 20.282,933 16.235,936 2.781,937 83.417,939 1,940 1,941 223.651,942 126.693,943 71.962,945 36.364,946 44.88,948 126.693,949 260.015,950 116.842,951 8.825,952 42.606,953 66.334,954 55.483,955 110.663,957 211.88,958 7.76,959 223.651,960 198.655,961 81.244,964 223.651,965 81.244,968 95.254,969 94.354,970 9.047,972 268.531,973 108.326,974 126.693,977 231.41,978 34.728,979 87.208,981 150.204,982 223.651,983 153.206,984 126.693,986 0.585,987 0.334,988 0.167,989 0.084,990 20,991 10,992 0.132,993 7,995 1,996 4.099,997 253.187,999 17,1000 138.452,1005 21.855,1006 9.314,1007 5.41,1009 153.206,1010 9.441,1015 1.448,1017 32.897,1018 503.55,1019 41,1024 12.517,1026 1.834,1027 7.873,1028 -0.887,1031 52.436,1032 58.583,1034 0.311,1035 0.673,1036 0.827,1037 0.895,1038 0.905,1039 0.905,1040 4.99,1041 1.393,1042 5.9,1043 4.427,1044 4.511,1045 4.977,1046 3.651,1047 6.735,1048 4.418,1049 6.208,1050 1.165,1051 7.489,1052 3.722,1053 4.29,1054 4.808,1055 3.903,1056 7.895,1057 4.039,1058 7.526,1059 1,1060 9.192,1061 2.987,1062 6.18,1063 7.109,1064 5.786,1065 10.882,1066 5.969,1067 8.88,1068 1,1069 10.963,1070 2.275,1071 6.77,1072 7.721,1073 6.69,1074 12.831,1075 6.399,1076 10.266,1077 0.836,1078 12.776,1079 2.026,1080 8.176,1081 9.527,1082 8.251,1083 15.405,1084 7.813,1085 11.671,1086 0.618,1087 14.618,1088 1.774,1089 9.094,1090 10.494,1091 9.388,1092 17.639,1093 8.592,1094 13.093,1095 0.323,1096 16.48,1097 1.372,1098 10.334,1099 12.089,1100 10.831,1101 20.096,1102 9.803,1103 3.315,1104 -0.183,1105 18.356,1106 0.706,1107 11.391,1108 13.237,1109 12.074,1110 22.442,1111 10.741,1112 3.058,1113 11.658,1114 20.244,1115 -0.345,1116 12.574,1117 14.728,1118 13.464,1119 24.871,1120 11.87,1121 2.782,1122 10.102,1123 22.141,1124 4.032,1125 13.691,1126 15.974,1127 14.758,1128 27.266,1129 12.881,1130 2.719,1131 8.894,1132 24.045,1133 3.897,1134 14.858,1135 17.411,1136 16.122,1137 29.693,1138 13.977,1139 2.101,1140 8.538,1141 25.956,1142 3.457,1143 16.003,1144 18.712,1145 17.441,1146 32.111,1147 15.023,1148 1.836,1149 5.88,1150 27.872,1151 3.25,1152 17.168,1153 20.122,1154 18.794,1155 34.543,1156 16.107,1157 1.753,1158 5.033,1159 29.792,1160 2.613,1161 18.328,1162 21.455,1163 20.124,1164 36.974,1165 17.171,1166 11942,1167 22650,1168 20.572,1169 33.358,1170 48.737,1171 49.857,1172 48.95,1173 48.087,1174 47.799,1175 60.162,1176 17.39,1177 138.793,1178 45.547,1179 5.285,1180 6.46,1181 6.874,1182 5.219,1183 5.315,1184 7.032,1185 6.462,1186 18.552,1187 5.024,1188 17.932,1189 1.523,1190 1.558,1191 1.53,1192 1.503,1193 1.494,1194 1.88,1195 0.543,1196 4.337,1197 1.423,1198 4.01,1199 4.042,1200 3.964,1201 3.924,1202 8.513,1203 3.927,1204 3.939,1205 3.968,1206 3.897,1207 3.867,1208 7.999,1209 3.868,1210 3.726,1211 3.789,1212 3.637,1213 3.544,1214 7.999,1215 3.554,1216 3.531,1217 3.594,1218 3.487,1219 3.375,1220 7.433,1221 3.356,1222 3.477,1223 3.534,1224 3.33,1225 3.222,1226 5.181,1227 3.271,1228 3.254,1229 3.27,1230 3.234,1231 2.99,1232 4.819,1233 3.038,1234 3.082,1235 3.142,1236 3.021,1237 2.807,1238 4.626,1239 2.805,1240 2.956,1241 3.044,1242 2.747,1243 2.735,1244 4.59,1245 2.778,1246 0.139,1247 0.139,1248 0.222,1249 0.13,1250 0.104,1251 4.45,1252 0.126,1253 4.46,1254 0.12,1255 7.111,1256 0.364,1257 4.174,1258 0.094,1259 3.315,1260 4.032,1261 3.825,1262 11.658,1263 3.024,1264 1.945,1265 1.923,1266 2.054,1267 2.042,1268 1.287,1269 2.043,1270 1.916,1271 1.893,1272 2.009,1273 2.009,1274 1.113,1275 2.008,1276 1.565,1277 1.494,1278 1.839,1279 1.754,1280 1.083,1281 1.788,1282 1.495,1283 1.428,1284 1.759,1285 1.684,1286 0.968,1287 1.71,1288 1.331,1289 1.292,1290 1.437,1291 1.646,1292 0.519,1293 1.581,1294 1.223,1295 1.17,1296 1.391,1297 1.51,1298 0.408,1299 1.469,1300 0.992,1301 0.932,1302 1.329,1303 1.344,1304 0.365,1305 1.266,1306 0.96,1307 0.901,1308 1.181,1309 1.244,1310 0.218,1311 1.242,1312 4.174,1314 5.501,1315 2.398,1316 7.011,1317 4.443,1318 8.602,1319 6.293,1320 10.237,1322 1.997,1324 37.946,1326 5.753,1328 3.131,1330 4.953,1333 1.856,1334 -4.445,1340 32.933,1341 90.061,1342 194.834,1343 239.378,1344 259.029,1345 261.784,1346 261.784,1347 79.647,1348 7.211,1349 80.28,1350 80.28,1351 17,1352 12.491,1353 4,1354 3.322,1355 55.544,1356 137,1357 120,1358 0.195,1359 202.447,1360 369.01,1361 485.731,1362 12995,1363 5.9,1364 21.725,1365 0.724,1366 0.544,1367 19.225,1368 16.317,1369 14.291,1370 0.447,1371 0.295,1372 9.268,1373 13.533,1374 9.118,1375 7.566,1376 13.08,1377 9.446,1378 13.34,1379 0.296,1380 0.15,1381 11.382,1382 6.732,1383 10.417,1384 0.186,1385 0.081,1386 9.481,1387 4.552,1388 8.162,1389 0.122,1390 0.045,1391 7.463,1392 3.028,1393 5.85,1394 0.076,1395 0.024,1396 5.564,1397 1.835,1398 0.313,1399 91.254,1400 0.22,1401 28.764,1402 0.514,1403 154,1404 670.052,1405 183.823,1406 563.416,1407 735.24,1408 520,1409 178,1410 526.319,1411 202.005,1412 506.695,1413 753.82,1414 475,1415 4.886}
{0 CHEMBL1085505,1 1.493,2 10.143,3 2.675,4 7.154,5 86.046,6 6.937,7 0.522,8 3.808,9 3.942,10 3.327,11 3.296,12 4.816,13 3.275,14 4.36,15 4.558,16 3.603,17 3.65,18 5.322,19 3.597,20 4.576,21 4.826,22 3.559,23 3.745,24 5.411,25 3.643,26 4.523,27 4.794,28 3.401,29 3.652,30 5.346,31 3.522,32 4.46,33 4.738,34 3.344,35 3.572,36 5.313,37 3.449,38 4.332,39 4.593,40 3.24,41 3.49,42 5.154,43 3.368,44 4.268,45 4.541,46 3.131,47 3.394,48 5.094,49 3.267,50 4.16,51 4.431,52 2.995,53 3.312,54 4.923,55 3.166,56 0.024,57 0.625,58 9.269,59 3.49,60 5.464,61 5.044,62 0.274,63 0.97,64 17.581,65 5.701,66 19.912,67 8.245,68 0.287,69 1.108,70 22.455,71 6.85,72 21.906,73 10.644,74 0.241,75 1.048,76 21.292,77 6.51,78 22.365,79 10.305,80 0.315,81 0.955,82 20.29,83 5.874,84 27.344,85 9.472,86 0.151,87 0.852,88 17.428,89 5.553,90 17.514,91 8.632,92 0.232,93 0.767,94 16.677,95 5.132,96 20.248,97 7.967,98 0.12,99 0.678,100 14.75,101 5.238,102 14.427,103 7.806,105 29,106 0.266,107 0.577,108 0.729,109 0.803,110 0.815,111 0.815,112 3.102,113 0.959,114 -3.99,115 -3.94,116 -3.74,121 39,123 1,127 5,144 6,145 1,147 1,149 1,152 1,176 7,179 3,180 2,183 1,185 2,187 8,191 1,197 1,200 5,206 2,209 2,211 2,214 2,218 2,219 1,224 2,227 1,232 4,237 1,239 2,244 5,247 1,251 2,256 5,264 1,269 5,281 593,282 14.759,283 14.759,284 14.759,285 14.759,286 14.759,287 13.309,288 20.167,289 9.284,290 15.219,291 11.421,292 11.421,293 11.421,294 11.421,295 11.421,296 9.309,297 30.354,298 4.47,299 12.146,300 3.864,301 2.12,302 1.263,303 0.848,304 0.78,305 0.78,306 3.793,310 1,311 1,312 1,313 462,314 2.236,318 211.892,325 1.578,326 12.496,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 45,338 213,339 4.17,340 3.138,341 6.168,342 3.803,343 2.893,344 3.727,345 0.86,346 9.174,347 2.633,348 3.897,349 2.745,350 5.357,351 3.524,352 2.531,353 3.444,354 0.8,355 7.001,356 2.518,357 3.606,358 2.588,359 5.296,360 3.314,361 2.379,362 2.823,363 0.4,364 6.819,365 2.218,366 2.985,367 2.261,368 4.396,369 2.697,370 1.796,371 2.118,373 4.388,374 1.622,375 2.921,376 1.693,377 3.681,378 2.533,379 1.547,380 2.036,382 3.235,383 1.517,384 2.667,385 1.548,386 3.549,387 2.239,388 1.319,389 1.724,391 2.855,392 1.209,393 2.5,394 1.256,395 3.429,396 2,397 1,398 1.5,400 2.395,401 1,402 2.221,403 1.181,404 3.288,405 1.953,406 1,407 1.188,409 2.211,410 0.95,411 2.179,412 1.079,413 3.247,414 1.952,415 1,416 1.143,418 2.136,419 0.946,420 2,421 1,422 3.247,423 1.896,424 1,425 1,427 2.136,428 0.89,429 1.218,430 0.204,431 2.623,432 0.956,438 0.803,439 -0.325,440 2.402,441 0.439,442 -0.494,443 -0.568,445 -1.153,446 -0.459,447 0.684,448 -0.36,449 1.897,450 0.313,451 -0.644,452 -0.795,454 -1.505,455 -0.615,456 0.5,457 -0.469,458 1.588,460 -1,461 -1,463 -2.179,464 -0.846,465 0.386,466 -0.911,467 1.555,468 -0.034,469 -1,470 -1.22,472 -2.347,473 -0.932,474 9.933,475 0.473,476 0.256,477 0.012,478 27.25,479 1.298,480 13,481 0.619,482 14.25,483 0.679,484 14.375,485 0.685,486 23.067,487 0.563,488 16.577,489 0.789,490 5.487,491 0.261,492 4.929,493 0.235,496 0.191,501 0.937,502 1.559,503 0.845,504 1.241,505 0.821,506 1.06,507 1.345,508 1.011,509 1.078,510 1.005,511 1.101,512 1.015,513 1.152,514 1.102,515 1.044,516 0.974,517 1.111,518 0.992,519 0.834,520 1.065,521 1.065,522 1.057,523 1.146,524 1.073,525 0.882,526 0.912,527 1.012,528 0.88,529 1.124,530 0.934,531 0.928,532 1.098,533 1.037,534 1.073,535 0.9,536 1.058,537 1.01,538 0.845,539 1.013,540 0.878,541 0.957,542 0.927,543 0.801,544 1.013,545 0.901,546 1.024,547 0.763,548 0.993,549 2.5,550 0.008,551 1.333,552 0.625,553 0.364,554 0.431,555 0.18,556 0.05,557 0.114,558 0.067,559 5049,560 11735,561 2.161,562 48.8,564 16,566 1,567 1,569 2,572 1.626,573 2.136,574 3.347,575 -0.291,576 1,577 1,579 1,582 61.221,583 1.493,584 3.237,585 4.095,586 4.51,587 4.577,588 4.577,589 2.761,590 3.69,591 4.365,592 3.473,593 729.38,594 7.448,595 8073.2,596 1,597 1,599 1,600 219.66,601 0.702,602 4.371,603 0.109,604 0.001,605 0.046,606 0.023,607 0.017,608 0.021,609 0.009,610 0.003,611 0.008,612 0.005,613 0.241,614 0.67,615 1,617 96.986,618 -0.011,619 -0.318,620 0.076,621 -0.139,622 0.046,623 -0.038,624 -0.012,625 0.118,626 -0.088,627 -0.02,628 0.003,629 -0.067,630 -0.076,631 -0.089,632 -0.059,633 -0.015,634 -0.116,635 -0.035,636 -0.012,637 -0.048,638 -0.097,639 -0.117,640 -0.142,641 -0.118,642 0.062,643 0.087,644 -0.026,645 0.042,646 -0.045,647 0.009,648 -0.081,649 -0.099,650 -0.073,651 -0.104,652 -0.037,653 -0.085,654 -0.02,655 0.124,656 -0.028,657 0.069,658 0.038,659 0.033,661 -0.104,662 0.055,663 -0.011,664 0.106,665 0.02,666 0.886,667 1.852,668 0.857,669 17.392,670 0.995,671 1.135,672 2.762,673 7.628,674 0.648,675 3.178,676 3.401,677 3.611,678 3.807,679 3.989,680 3.85,681 3.932,682 3.951,683 3.989,684 4.007,685 6.017,686 0.61,687 284.4,688 3.178,689 4.654,690 5.46,691 6.282,692 7.101,693 7.93,694 8.754,695 9.585,696 10.412,697 11.246,698 9.8,703 1,704 1,708 2,715 7,716 2,720 3,722 12,734 1,736 1,741 41,743 12,744 1,745 23,747 43,748 16,749 10,750 1,751 5,756 3,757 3,770 1,772 10,773 6,789 1,790 1,793 20,794 5,795 1,796 5,802 4,808 1,809 1,823 1,829 3,858 1,859 3,868 21,876 6,877 1,878 1,881 1,893 2.4,897 1,901 9.833,902 7.1,903 4.778,904 2.501,907 2.127,908 1.323,909 0.976,910 4.9,911 8.721,912 3.401,913 3.871,914 4.344,915 4.814,916 5.269,917 5.108,918 5.309,919 5.462,920 5.684,921 5.985,922 0.857,923 27,924 7.747,926 3.145,927 0.026,929 7.5,931 15.201,933 12.107,936 2,937 42,938 0.001,940 1,941 223.651,942 91.354,943 54.706,945 11,948 91.354,949 234.651,950 54.706,952 18.036,953 56.857,954 74.353,955 15.357,956 4.227,957 211.88,959 223.651,960 146.06,961 11,964 200.109,965 23.542,966 11,968 28.983,969 65.495,970 51.582,972 223.651,973 65.706,974 91.354,977 223.651,978 25.449,979 69.029,980 18.011,981 44.571,982 223.651,983 65.706,984 91.354,986 0.553,987 0.313,988 0.171,989 0.093,990 13,991 4,992 0.116,993 5,995 1,996 3.58,997 149.557,999 18,1000 84.239,1005 14.146,1006 7.274,1007 4.081,1009 65.706,1010 14.169,1011 8.924,1015 2.984,1017 18.011,1018 380.711,1019 29,1031 40.803,1032 46.524,1034 0.279,1035 0.604,1036 0.764,1037 0.842,1038 0.854,1039 0.854,1040 4.575,1041 1,1042 5.361,1043 2.395,1044 4.078,1045 4.554,1046 1.324,1047 6.038,1048 3.96,1049 5.689,1050 1,1051 6.821,1052 2.211,1053 3.219,1054 3.861,1055 0.325,1056 6.629,1057 3.026,1058 6.92,1059 1,1060 8.382,1061 2.136,1062 5.525,1063 6.556,1064 0.958,1065 9.721,1066 5.288,1067 8.186,1069 10.009,1070 2.136,1071 5.565,1072 6.72,1073 0.268,1074 11.237,1075 5.233,1076 9.487,1077 -0.494,1078 11.681,1080 7.238,1081 8.836,1082 0.736,1083 13.763,1084 6.87,1085 10.812,1086 -0.644,1087 13.384,1088 -1.153,1089 7.739,1090 9.43,1091 0.188,1092 15.661,1093 7.267,1094 12.156,1095 -1,1096 15.11,1097 -1.505,1098 9.095,1099 11.246,1100 0.57,1101 17.984,1102 8.584,1103 2.893,1104 -1,1105 16.853,1106 -2.179,1107 9.847,1108 12.086,1109 0.125,1110 20.053,1111 9.226,1112 2.531,1113 9.174,1114 18.608,1115 -2.347,1116 11.043,1117 13.725,1118 0.439,1119 22.303,1120 10.372,1121 2.379,1122 7.001,1123 20.373,1124 3.727,1125 11.931,1126 14.718,1127 0.082,1128 24.449,1129 11.149,1130 1.796,1131 6.819,1132 22.145,1133 3.444,1134 13.047,1135 16.244,1136 0.334,1137 26.673,1138 12.205,1139 1.547,1140 4.388,1141 23.924,1142 2.823,1143 14.011,1144 17.339,1145 0.054,1146 28.855,1147 13.058,1148 1.319,1149 3.235,1150 25.708,1151 2.118,1152 15.089,1153 18.791,1154 0.252,1155 31.072,1156 14.066,1157 1,1158 2.855,1159 27.497,1160 2.036,1161 16.093,1162 19.953,1163 0.035,1164 33.271,1165 14.962,1166 4798,1167 7411,1168 16.178,1169 26.569,1170 33.074,1171 33.177,1172 33.084,1173 32.978,1174 32.929,1175 41.407,1176 4.12,1177 84.699,1178 31.004,1179 5.17,1180 5.138,1181 5.97,1182 4.906,1183 4.893,1184 6.727,1185 1.72,1186 15.374,1187 4.633,1189 1.438,1190 1.442,1191 1.438,1192 1.434,1193 1.432,1194 1.8,1195 0.179,1196 3.683,1197 1.348,1198 3.951,1199 4.001,1200 3.885,1201 3.866,1202 5,1203 3.86,1204 3.874,1205 3.92,1206 3.81,1207 3.697,1208 4.75,1209 3.725,1210 3.675,1211 3.731,1212 3.561,1213 3.471,1214 4.601,1215 3.484,1216 3.409,1217 3.485,1218 3.258,1219 3.244,1220 4.203,1221 3.235,1222 3.111,1223 3.206,1224 2.866,1225 2.941,1226 3.901,1227 2.91,1228 2.947,1229 3.017,1230 2.842,1231 2.735,1232 3.797,1233 2.733,1234 2.866,1235 2.946,1236 2.734,1237 2.714,1238 3.674,1239 2.715,1240 2.854,1241 2.925,1242 2.687,1243 2.634,1244 3.512,1245 2.651,1246 0.181,1247 0.136,1248 0.268,1249 0.165,1250 0.126,1251 4.17,1252 0.162,1253 3.138,1254 0.037,1255 6.168,1256 0.399,1257 3.803,1258 0.114,1259 2.893,1260 3.727,1261 0.86,1262 9.174,1263 2.633,1264 1.922,1265 1.891,1266 2.059,1267 2.044,1268 1.231,1269 2.039,1270 1.798,1271 1.742,1272 1.942,1273 1.993,1274 1.197,1275 1.992,1276 1.62,1277 1.563,1278 1.811,1279 1.844,1280 0.909,1281 1.838,1282 1.403,1283 1.333,1284 1.652,1285 1.609,1286 0.825,1287 1.628,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.738,1293 1.429,1294 0.886,1295 0.821,1296 1.181,1297 1.16,1298 0.279,1299 1.154,1300 0.877,1301 0.803,1302 1.151,1303 1.095,1304 0.252,1305 1.107,1306 0.808,1307 0.736,1308 1.1,1309 1.062,1310 0.218,1311 1.105,1312 3.85,1314 5.094,1316 6.544,1318 8.079,1320 9.655,1328 5.048,1329 3.364,1330 5.352,1333 2.159,1340 25.015,1341 61.221,1342 132.724,1343 167.885,1344 184.905,1345 187.66,1346 187.66,1347 22.86,1348 6.594,1349 50.28,1350 50.28,1351 18,1352 11.817,1353 3.7,1354 2.807,1355 32.388,1356 75,1357 69,1358 0.206,1359 155.677,1360 263.43,1361 371.611,1362 6343,1364 14.33,1365 0.682,1366 0.573,1367 14.33,1368 12.034,1369 10.416,1370 0.453,1371 0.32,1372 7.233,1373 9.973,1374 7.117,1375 5.869,1376 10.416,1377 7.352,1378 8.626,1379 0.297,1380 0.173,1381 8.626,1382 5.004,1383 7.089,1384 0.197,1385 0.097,1386 7.089,1387 3.499,1388 5.799,1389 0.132,1390 0.053,1391 5.799,1392 2.342,1393 4.654,1394 0.088,1395 0.029,1396 4.654,1397 1.536,1398 0.329,1399 65.386,1400 0.249,1401 21.357,1402 0.544,1403 104,1404 287.004,1405 115.01,1406 275.003,1407 380.39,1408 262,1409 117,1410 277.425,1411 128.261,1412 279.435,1413 405.75,1414 264,1415 4.706}
{0 CHEMBL1085526,1 1.422,2 20.564,3 7.357,4 54.128,5 153.131,6 6.892,7 0.429,8 4.411,9 4.526,10 3.906,11 3.933,12 5.453,13 3.901,14 4.97,15 5.15,16 4.22,17 4.306,18 5.991,19 4.245,20 5.235,21 5.452,22 4.282,23 4.439,24 6.183,25 4.351,26 5.293,27 5.533,28 4.219,29 4.409,30 6.276,31 4.304,32 5.221,33 5.461,34 4.091,35 4.384,36 6.122,37 4.256,38 5.225,39 5.486,40 4.005,41 4.357,42 6.055,43 4.2,44 5.205,45 5.473,46 3.872,47 4.28,48 5.981,49 4.112,50 5.111,51 5.379,52 3.806,53 4.196,54 5.884,55 4.033,56 0.027,57 1.029,58 17.125,59 7.649,60 9.405,61 10.032,62 0.416,63 1.66,64 32.203,65 12.401,66 41.153,67 16.842,68 0.358,69 2.002,70 43.24,71 16.37,72 50.986,73 22.185,74 0.719,75 2.053,76 47.204,77 16.578,78 86.118,79 22.928,80 0.49,81 1.973,82 43.119,83 15.899,84 62.825,85 22.161,86 0.438,87 1.972,88 43.275,89 16.347,90 59.45,91 23.274,92 0.543,93 1.882,94 43.194,95 15.597,96 58.411,97 22.089,98 0.38,99 1.721,100 39.05,101 14.264,102 48.148,103 20.289,104 20,105 55,106 0.219,107 0.496,108 0.684,109 0.821,110 0.885,111 0.904,112 3.692,113 0.985,114 -4.91,115 -4.82,116 -4.52,121 41.6,123 7,126 2,127 3,144 11,145 3,146 4,159 1,161 1,176 16,179 1,180 13,183 2,187 17,192 12,200 11,205 2,206 13,211 2,214 12,218 1,219 6,224 2,227 14,231 1,232 6,237 1,239 13,243 1,244 6,247 1,251 10,256 6,264 11,269 4,274 1,277 13,281 3386,282 26.698,283 26.698,284 26.698,285 26.698,286 26.698,287 24.315,288 28.551,289 16.437,290 27.219,291 20.743,292 20.743,293 20.743,294 20.743,295 20.743,296 16.999,297 35.777,298 7.87,299 21.52,300 4.845,301 3.039,302 1.818,303 0.922,304 0.507,305 0.383,306 4.39,312 1,313 1726,314 4.796,318 507.709,322 384.944,325 3.056,326 34.186,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 84,338 802,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 2.186,346 11.061,347 3.18,348 4.105,349 3.66,350 6.011,351 3.723,352 2.761,353 3.688,354 0.916,355 8.529,356 2.661,357 4.048,358 2.995,359 5.681,360 3.613,361 2.642,362 3.676,363 0.86,364 7.996,365 2.563,366 3.672,367 2.984,368 5.407,369 3.38,370 2.451,371 2.964,372 0.86,373 6.913,374 2.261,375 3.617,376 2.82,377 5.29,378 3.232,379 2.271,380 2.886,381 0.366,382 6.815,383 2.172,384 3.378,385 2.632,386 5.124,387 3.124,388 2.168,389 2.515,390 0.172,391 6.04,392 2.056,393 3.309,394 2.495,395 4.862,396 2.96,397 2.017,398 2.504,400 5.594,401 1.9,402 3.09,403 2.172,404 4.585,405 2.879,406 1.889,407 2.175,409 4.814,410 1.845,411 2.909,412 1.906,413 4.125,414 2.758,415 1.783,416 2.082,418 3.795,419 1.729,420 2.88,421 1.716,422 3.906,423 2.554,424 1.575,425 1.89,427 3.384,428 1.537,429 2.715,430 1.617,431 3.72,432 2.429,433 1.438,434 1.81,436 3.252,437 1.421,438 2.667,439 1.378,440 3.653,441 2.244,442 1.259,443 1.733,445 3.07,446 1.237,447 2.598,448 1.344,449 3.497,450 2.2,451 1.215,452 1.603,454 2.63,455 1.195,456 2.428,457 1.298,458 3.487,459 2.136,460 1.158,461 1.315,463 2.457,464 1.128,465 2.203,466 1.26,467 3.311,468 1.887,469 0.866,470 1.171,472 2.036,473 0.877,474 18.467,475 0.474,476 0.729,477 0.019,478 46.75,479 1.199,480 22.5,481 0.577,482 24.25,483 0.622,484 37.163,485 0.953,486 43.333,487 0.563,488 36.27,489 0.93,490 9.029,491 0.232,492 10.001,493 0.256,494 0.09,496 0.265,501 0.77,502 1.328,503 0.853,504 1.199,505 0.577,506 1.06,507 0.85,508 1.026,509 0.944,510 1.038,511 0.534,512 0.999,513 1.071,514 1.056,515 0.928,516 1.045,517 0.772,518 0.979,519 1.096,520 0.931,521 0.941,522 0.911,523 1.036,524 0.904,525 0.979,526 0.994,527 1.031,528 1.001,529 1.043,530 1.021,531 0.654,532 1.051,533 0.951,534 1.065,535 0.575,536 1.055,537 0.901,538 0.917,539 1.033,540 0.976,541 0.723,542 1.019,543 0.859,544 1.02,545 0.997,546 1.023,547 0.71,548 1.032,549 6.5,550 0.132,551 2.889,552 2.375,553 1.853,554 0.868,555 0.604,556 0.361,557 0.23,558 0.162,559 33712,560 85277,561 2.067,562 49.4,563 10,564 23,567 1,569 4,572 1.781,573 1.966,574 4.264,575 -0.434,582 109.512,583 1.422,584 3.228,585 4.449,586 5.345,587 5.76,588 5.884,589 3.708,590 4.978,591 5.263,592 4.499,593 3333.97,594 9.198,595 68302,600 482.543,601 1.252,602 5.231,603 0.155,604 0.005,605 0.053,606 0.042,607 0.036,608 0.019,609 0.015,610 0.01,611 0.007,612 0.005,613 0.345,614 0.17,615 0.75,616 0.879,617 231.152,618 -0.005,619 -0.13,620 0.057,621 -0.07,622 -0.004,623 -0.008,624 0.109,625 0.09,626 0.021,627 -0.005,628 0.139,629 -0.001,630 -0.04,631 -0.06,632 0.056,633 -0.032,634 0.054,635 0.019,636 0.041,637 0.035,638 0.069,639 0.062,640 0.086,641 0.069,642 -0.058,643 -0.001,644 -0.054,645 -0.009,646 -0.057,647 -0.028,648 0.066,649 -0.081,650 0.004,651 -0.071,652 0.058,653 -0.047,654 -0.028,655 0.036,656 -0.053,657 -0.007,658 -0.041,659 -0.032,660 -0.041,661 -0.069,662 -0.025,663 -0.046,664 -0.017,665 -0.036,666 2.122,667 5.664,668 0.513,669 57.499,670 0.997,671 1.124,672 3.679,673 13.538,674 0.649,675 3.761,676 4.025,677 4.248,678 4.489,679 4.71,680 4.779,681 4.868,682 4.977,683 5.004,684 4.905,685 12.031,686 0.612,687 530.72,688 3.761,689 5.273,690 6.094,691 6.944,692 7.785,693 8.649,694 9.502,695 10.375,696 11.237,697 12.117,698 2.6,701 1,705 1,715 11,720 7,722 18,727 1,737 1,739 2,741 77,743 20,744 3,745 42,747 80,748 32,749 18,750 7,751 11,752 1,756 4,757 7,770 7,772 20,773 12,777 2,782 2,786 2,793 38,794 7,795 1,796 7,802 2,808 0.5,809 5,829 4,833 2,855 1,859 2,864 2,868 39,876 10,877 1,878 3,881 1,893 6.5,896 2,898 3,901 19.833,902 14.2,903 8.861,904 4.963,907 3.381,908 1.409,909 0.956,910 10.958,911 11.643,912 3.989,913 4.494,914 4.999,915 5.535,916 6.053,917 6.264,918 6.588,919 6.937,920 7.197,921 7.354,922 1,923 57,924 14.473,926 5.981,927 0.026,929 7.679,931 28.028,933 22.527,936 2.179,937 85,941 435.531,942 190.003,943 21.135,945 83.29,948 190.003,949 518.82,950 21.135,951 16.793,952 44.556,953 104.239,954 55.423,955 66.654,956 6.763,957 435.531,959 435.531,960 211.138,961 83.29,964 388.446,965 130.374,968 47.681,969 163.458,972 435.531,973 104.425,974 190.003,977 435.531,978 68.972,979 124.156,980 18.011,981 83.29,982 435.531,983 104.425,984 190.003,986 0.561,987 0.317,988 0.17,989 0.093,990 22,991 10,992 0.188,993 15,994 2,995 1.2,996 5.27,997 338.096,998 0.2,999 20,1000 198.131,1005 28.817,1006 14.83,1007 8.657,1009 104.425,1010 20.435,1015 4.753,1017 18.011,1018 729.959,1019 53,1024 24.059,1028 -0.465,1031 76.745,1032 86.517,1034 0.227,1035 0.515,1036 0.71,1037 0.853,1038 0.919,1039 0.939,1040 5.201,1041 1.889,1042 6.038,1043 5.594,1044 4.71,1045 5.182,1046 2.639,1047 6.783,1048 4.641,1049 6.357,1050 1.783,1051 7.549,1052 4.814,1053 4.111,1054 4.832,1055 1.847,1056 7.551,1057 4.007,1058 7.629,1059 1.575,1060 9.163,1061 3.795,1062 6.229,1063 7.261,1064 3.582,1065 10.673,1066 6.098,1067 8.935,1068 1.438,1069 10.842,1070 3.384,1071 6.479,1072 7.753,1073 3.603,1074 12.333,1075 6.327,1076 10.278,1077 1.259,1078 12.565,1079 3.252,1080 8.023,1081 9.651,1082 4.922,1083 14.975,1084 7.852,1085 11.646,1086 1.215,1087 14.321,1088 3.07,1089 8.71,1090 10.56,1091 5.291,1092 17.035,1093 8.533,1094 13.036,1095 1.158,1096 16.102,1097 2.63,1098 10.008,1099 12.219,1100 6.39,1101 19.516,1102 9.816,1103 3.215,1104 0.866,1105 17.902,1106 2.457,1107 10.925,1108 13.35,1109 6.93,1110 21.76,1111 10.733,1112 2.761,1113 11.061,1114 19.72,1115 2.036,1116 12.119,1117 14.89,1118 7.902,1119 24.185,1120 11.919,1121 2.642,1122 8.529,1123 21.551,1124 4.198,1125 13.154,1126 16.144,1127 8.539,1128 26.514,1129 12.954,1130 2.451,1131 7.996,1132 23.393,1133 3.688,1134 14.312,1135 17.622,1136 9.436,1137 28.922,1138 14.106,1139 2.271,1140 6.913,1141 25.246,1142 3.676,1143 15.406,1144 18.946,1145 10.13,1146 31.289,1147 15.199,1148 2.168,1149 6.815,1150 27.107,1151 2.964,1152 16.554,1153 20.392,1154 10.981,1155 33.692,1156 16.342,1157 2.017,1158 6.04,1159 28.976,1160 2.886,1161 17.679,1162 21.757,1163 11.71,1164 36.077,1165 17.463,1166 31901,1167 51012,1168 28.315,1169 49.989,1170 60.374,1171 62.973,1172 62.216,1173 60.06,1174 60.028,1175 75.182,1176 10.723,1177 161.88,1178 57.988,1179 5.524,1180 5.692,1181 6.699,1182 5.3,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.18,1188 18.414,1189 1.437,1190 1.499,1191 1.481,1192 1.43,1193 1.429,1194 1.79,1195 0.255,1196 3.854,1197 1.381,1198 4.05,1199 4.059,1200 4.015,1201 3.966,1202 7.435,1203 3.976,1204 3.942,1205 3.973,1206 3.879,1207 3.858,1208 7.427,1209 3.858,1210 3.804,1211 3.856,1212 3.718,1213 3.715,1214 4.947,1215 3.711,1216 3.764,1217 3.797,1218 3.633,1219 3.668,1220 4.814,1221 3.65,1222 3.648,1223 3.714,1224 3.508,1225 3.491,1226 4.708,1227 3.48,1228 3.534,1229 3.595,1230 3.434,1231 3.289,1232 4.378,1233 3.295,1234 3.463,1235 3.54,1236 3.308,1237 3.206,1238 4.329,1239 3.242,1240 3.277,1241 3.338,1242 3.17,1243 3.095,1244 4.245,1245 3.105,1246 0.108,1247 0.088,1248 0.161,1249 0.1,1250 0.077,1251 4.553,1252 0.1,1253 3.692,1254 0.052,1255 6.774,1256 0.263,1257 4.203,1258 0.076,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.067,1267 2.084,1268 1.419,1269 2.074,1270 1.912,1271 1.885,1272 2.054,1273 2.028,1274 1.269,1275 2.036,1276 1.808,1277 1.762,1278 2.019,1279 1.959,1280 1.168,1281 1.986,1282 1.767,1283 1.73,1284 1.918,1285 1.877,1286 1.154,1287 1.89,1288 1.648,1289 1.583,1290 1.872,1291 1.823,1292 1.006,1293 1.841,1294 1.465,1295 1.393,1296 1.741,1297 1.738,1298 0.966,1299 1.729,1300 1.397,1301 1.324,1302 1.689,1303 1.675,1304 0.794,1305 1.695,1306 1.261,1307 1.193,1308 1.588,1309 1.494,1310 0.681,1311 1.528,1312 4.443,1314 5.72,1316 7.191,1318 8.763,1320 10.398,1322 3.671,1328 10.727,1329 2.461,1330 17.057,1333 2.302,1340 47.099,1341 109.512,1342 248.572,1343 342.557,1344 411.549,1345 443.523,1346 453.033,1347 83.003,1348 8.263,1349 81.01,1350 81.01,1351 24,1352 12.658,1353 4.392,1354 3.585,1355 71.561,1356 294,1357 246,1358 0.113,1359 289.52,1360 516.93,1361 698.189,1362 65654,1364 27.451,1365 0.704,1366 0.587,1367 27.451,1368 22.91,1369 19.029,1370 0.453,1371 0.328,1372 13.609,1373 18.325,1374 13.271,1375 11.102,1376 19.029,1377 13.788,1378 16.301,1379 0.296,1380 0.181,1381 16.301,1382 9.933,1383 13.193,1384 0.191,1385 0.098,1386 13.193,1387 6.768,1388 10.777,1389 0.122,1390 0.053,1391 10.777,1392 4.685,1393 8.56,1394 0.078,1395 0.029,1396 8.56,1397 3.183,1398 0.195,1399 119.126,1400 0.188,1401 37.219,1402 0.271,1403 194,1404 570.656,1405 213.743,1406 539.146,1407 732.27,1408 506,1409 221,1410 533.442,1411 240.112,1412 535.736,1413 781.51,1414 503,1415 7.932}
{0 CHEMBL1085527,1 1.41,2 21.375,3 7.813,4 61.049,5 157.732,6 6.809,7 0.419,8 4.445,9 4.562,10 3.929,11 3.967,12 5.475,13 3.931,14 5.008,15 5.191,16 4.24,17 4.341,18 6.014,19 4.275,20 5.279,21 5.501,22 4.301,23 4.475,24 6.208,25 4.381,26 5.334,27 5.578,28 4.239,29 4.446,30 6.299,31 4.335,32 5.265,33 5.509,34 4.113,35 4.422,36 6.148,37 4.289,38 5.269,39 5.533,40 4.029,41 4.396,42 6.083,43 4.235,44 5.249,45 5.521,46 3.9,47 4.322,48 6.011,49 4.15,50 5.16,51 5.431,52 3.836,53 4.241,54 5.917,55 4.073,56 0.035,57 1.068,58 18.019,59 7.994,60 9.825,61 10.564,62 0.427,63 1.724,64 33.73,65 12.989,66 42,67 17.757,68 0.375,69 2.084,70 45.313,71 17.125,72 52.29,73 23.391,74 0.731,75 2.133,76 49.146,77 17.306,78 86.895,79 24.091,80 0.501,81 2.055,82 45.089,83 16.645,84 63.363,85 23.341,86 0.451,87 2.053,88 45.173,89 17.079,90 59.939,91 24.406,92 0.552,93 1.961,94 45.025,95 16.322,96 58.442,97 23.213,98 0.39,99 1.801,100 40.902,101 14.991,102 48.242,103 21.413,104 20,105 56,106 0.215,107 0.486,108 0.67,109 0.804,110 0.87,111 0.897,112 3.716,113 0.997,114 -5.09,115 -4.99,116 -4.68,121 41.3,123 8,126 2,127 3,144 11,145 3,146 4,159 1,161 1,176 17,179 1,180 13,183 2,187 18,192 12,200 12,205 2,206 13,211 2,214 13,218 1,219 6,224 2,227 15,231 1,232 6,237 1,239 14,243 1,244 6,247 1,251 11,256 6,264 11,269 6,274 1,277 13,281 3680,282 27.405,283 27.405,284 27.405,285 27.405,286 27.405,287 25.022,288 28.551,289 16.937,290 27.926,291 21.243,292 21.243,293 21.243,294 21.243,295 21.243,296 17.499,297 35.777,298 8.12,299 22.02,300 4.912,301 3.134,302 1.932,303 1.05,304 0.619,305 0.444,306 4.415,312 1,313 1838,314 4.899,318 529.155,322 401.691,325 3.188,326 34.262,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 86,338 855,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 2.186,346 11.061,347 3.18,348 4.105,349 3.66,350 6.011,351 3.723,352 2.761,353 3.688,354 0.916,355 8.529,356 2.661,357 4.048,358 2.995,359 5.681,360 3.613,361 2.642,362 3.676,363 0.86,364 7.996,365 2.563,366 3.672,367 2.984,368 5.407,369 3.38,370 2.451,371 2.964,372 0.86,373 6.913,374 2.261,375 3.617,376 2.82,377 5.29,378 3.232,379 2.271,380 2.886,381 0.366,382 6.815,383 2.172,384 3.378,385 2.632,386 5.124,387 3.124,388 2.168,389 2.515,390 0.172,391 6.04,392 2.057,393 3.309,394 2.495,395 4.862,396 2.961,397 2.017,398 2.504,400 5.594,401 1.912,402 3.09,403 2.172,404 4.585,405 2.896,406 1.906,407 2.175,409 4.814,410 1.853,411 2.914,412 1.921,413 4.125,414 2.77,415 1.794,416 2.082,418 3.83,419 1.743,420 2.895,421 1.746,422 3.922,423 2.616,424 1.635,425 1.909,427 3.386,428 1.599,429 2.716,430 1.636,431 3.73,432 2.431,433 1.441,434 1.811,436 3.366,437 1.423,438 2.684,439 1.435,440 3.694,441 2.283,442 1.306,443 1.738,445 3.075,446 1.271,447 2.64,448 1.368,449 3.503,450 2.242,451 1.255,452 1.66,454 2.713,455 1.235,456 2.437,457 1.298,458 3.49,459 2.176,460 1.184,461 1.362,463 2.589,464 1.172,465 2.31,466 1.273,467 3.392,468 1.917,469 0.926,470 1.247,472 2.089,473 0.91,474 18.967,475 0.474,476 0.729,477 0.018,478 47.25,479 1.181,480 22.5,481 0.563,482 24.75,483 0.619,484 39.109,485 0.978,486 44.633,487 0.558,488 36.473,489 0.912,490 9.029,491 0.226,492 10.501,493 0.263,494 0.088,496 0.258,501 0.769,502 1.332,503 0.867,504 1.207,505 0.576,506 1.072,507 0.846,508 1.041,509 0.956,510 1.054,511 0.531,512 1.016,513 1.057,514 1.052,515 0.924,516 1.041,517 0.762,518 0.977,519 1.084,520 0.932,521 0.937,522 0.913,523 1.024,524 0.905,525 0.967,526 0.993,527 1.023,528 0.999,529 1.028,530 1.016,531 0.647,532 1.047,533 0.946,534 1.06,535 0.568,536 1.049,537 0.889,538 0.919,539 1.025,540 0.975,541 0.713,542 1.015,543 0.845,544 1.017,545 0.989,546 1.02,547 0.697,548 1.026,549 6.5,550 0.132,551 2.889,552 2.375,553 1.853,554 0.868,555 0.604,556 0.361,557 0.23,558 0.162,559 36813,560 91714,561 2.065,562 50,563 12,564 23,567 1,569 4,572 1.786,573 1.967,574 4.315,575 -0.442,582 112.802,583 1.41,584 3.188,585 4.39,586 5.271,587 5.703,588 5.878,589 3.734,590 4.972,591 5.3,592 4.557,593 3554.43,594 9.268,595 75258.2,600 505.754,601 1.236,602 5.269,603 0.151,604 0.004,605 0.052,606 0.041,607 0.035,608 0.018,609 0.014,610 0.01,611 0.007,612 0.005,613 0.338,614 0.17,615 0.75,616 0.864,617 239.645,618 -0.002,619 -0.127,620 0.057,621 -0.068,623 -0.007,624 0.112,625 0.077,626 0.015,627 -0.015,628 0.142,629 -0.01,630 -0.032,631 -0.055,632 0.062,633 -0.027,634 0.06,635 0.023,636 0.048,637 0.034,638 0.071,639 0.061,640 0.092,641 0.069,642 -0.051,644 -0.045,645 -0.006,646 -0.049,647 -0.023,648 0.068,649 -0.077,650 0.008,651 -0.066,652 0.061,653 -0.042,654 -0.023,655 0.034,656 -0.047,657 -0.006,658 -0.036,659 -0.028,660 -0.036,661 -0.066,662 -0.02,663 -0.043,664 -0.012,665 -0.032,666 2.119,667 5.669,668 0.5,669 61.1,670 0.995,671 1.124,672 3.865,673 14.938,674 0.647,675 3.784,676 4.043,677 4.263,678 4.5,679 4.718,680 4.787,681 4.875,682 4.984,683 5.011,684 4.913,685 12.514,686 0.608,687 544.75,688 3.784,689 5.293,690 6.111,691 6.959,692 7.799,693 8.66,694 9.512,695 10.383,696 11.244,697 12.122,698 2.5,701 1,705 1,715 11,720 7,722 18,727 1,737 1,739 2,741 80,743 20,744 3,745 43,747 83,748 33,749 18,750 7,751 11,752 1,756 4,757 7,770 8,772 20,773 13,777 2,782 2,786 2,793 40,794 7,795 1,796 7,802 2,808 0.5,809 5,829 4,833 2,855 1,859 2,864 2,868 40,876 11,877 1,878 3,881 1,893 6.3,896 2,898 3,901 20.333,902 14.7,903 9.111,904 5.213,907 3.361,908 1.405,909 0.954,910 11.593,911 11.654,912 4.007,913 4.505,914 5.006,915 5.539,916 6.056,917 6.265,918 6.589,919 6.938,920 7.198,921 7.355,922 0.929,923 58,924 14.851,926 6.123,927 0.026,929 7.663,931 28.844,933 23.194,936 2.163,937 86.5,941 459.073,942 192.538,943 21.135,945 83.29,948 192.538,949 542.362,950 21.135,951 16.793,952 47.091,953 104.239,954 55.423,955 66.654,956 6.763,957 459.073,959 459.073,960 213.673,961 83.29,964 411.989,965 130.374,968 50.215,969 163.458,972 459.073,973 104.425,974 192.538,977 459.073,978 71.506,979 124.156,980 18.011,981 83.29,982 459.073,983 104.425,984 192.538,986 0.56,987 0.316,988 0.169,989 0.092,990 22,991 10,992 0.193,993 16,994 2,995 1.2,996 5.384,997 346.792,998 0.2,999 20,1000 208.877,1005 29.792,1006 15.565,1007 9.183,1009 104.425,1010 20.471,1015 4.778,1017 18.011,1018 756.036,1019 54,1024 24.067,1028 -0.46,1031 79.629,1032 89.932,1034 0.223,1035 0.504,1036 0.694,1037 0.834,1038 0.902,1039 0.93,1040 5.218,1041 1.906,1042 6.052,1043 5.594,1044 4.727,1045 5.193,1046 2.639,1047 6.792,1048 4.66,1049 6.369,1050 1.794,1051 7.56,1052 4.814,1053 4.111,1054 4.832,1055 1.847,1056 7.551,1057 4.007,1058 7.638,1059 1.635,1060 9.17,1061 3.83,1062 6.24,1063 7.265,1064 3.582,1065 10.676,1066 6.111,1067 8.942,1068 1.441,1069 10.847,1070 3.386,1071 6.479,1072 7.753,1073 3.603,1074 12.333,1075 6.327,1076 10.283,1077 1.306,1078 12.568,1079 3.366,1080 8.03,1081 9.652,1082 4.922,1083 14.976,1084 7.86,1085 11.65,1086 1.255,1087 14.323,1088 3.075,1089 8.71,1090 10.56,1091 5.291,1092 17.035,1093 8.533,1094 13.039,1095 1.184,1096 16.103,1097 2.713,1098 10.011,1099 12.219,1100 6.39,1101 19.516,1102 9.82,1103 3.215,1104 0.926,1105 17.903,1106 2.589,1107 10.925,1108 13.35,1109 6.93,1110 21.76,1111 10.733,1112 2.761,1113 11.061,1114 19.72,1115 2.089,1116 12.121,1117 14.89,1118 7.902,1119 24.185,1120 11.921,1121 2.642,1122 8.529,1123 21.551,1124 4.198,1125 13.154,1126 16.144,1127 8.539,1128 26.514,1129 12.954,1130 2.451,1131 7.996,1132 23.393,1133 3.688,1134 14.312,1135 17.622,1136 9.436,1137 28.922,1138 14.107,1139 2.271,1140 6.913,1141 25.246,1142 3.676,1143 15.406,1144 18.946,1145 10.13,1146 31.289,1147 15.199,1148 2.168,1149 6.815,1150 27.107,1151 2.964,1152 16.554,1153 20.392,1154 10.981,1155 33.692,1156 16.342,1157 2.017,1158 6.04,1159 28.976,1160 2.886,1161 17.679,1162 21.757,1163 11.71,1164 36.077,1165 17.463,1166 34841,1167 55297,1168 29.008,1169 51.75,1170 61.675,1171 64.259,1172 63.471,1173 61.281,1174 61.23,1175 76.38,1176 10.723,1177 164.267,1178 59.193,1179 5.527,1180 5.692,1181 6.71,1182 5.3,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.18,1188 18.792,1189 1.434,1190 1.494,1191 1.476,1192 1.425,1193 1.424,1194 1.776,1195 0.249,1196 3.82,1197 1.377,1198 4.051,1199 4.06,1200 4.015,1201 3.967,1202 7.435,1203 3.976,1204 3.943,1205 3.973,1206 3.879,1207 3.858,1208 7.427,1209 3.858,1210 3.81,1211 3.863,1212 3.718,1213 3.715,1214 4.947,1215 3.711,1216 3.769,1217 3.8,1218 3.641,1219 3.679,1220 4.814,1221 3.661,1222 3.669,1223 3.734,1224 3.524,1225 3.522,1226 4.708,1227 3.509,1228 3.544,1229 3.607,1230 3.443,1231 3.333,1232 4.378,1233 3.331,1234 3.494,1235 3.568,1236 3.344,1237 3.212,1238 4.329,1239 3.253,1240 3.326,1241 3.397,1242 3.195,1243 3.136,1244 4.248,1245 3.137,1246 0.106,1247 0.086,1248 0.158,1249 0.098,1250 0.075,1251 4.553,1252 0.098,1253 3.692,1254 0.051,1255 6.774,1256 0.257,1257 4.203,1258 0.074,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.07,1267 2.084,1268 1.428,1269 2.074,1270 1.912,1271 1.885,1272 2.055,1273 2.028,1274 1.297,1275 2.037,1276 1.815,1277 1.764,1278 2.023,1279 1.965,1280 1.177,1281 1.993,1282 1.77,1283 1.737,1284 1.938,1285 1.886,1286 1.161,1287 1.902,1288 1.676,1289 1.612,1290 1.879,1291 1.835,1292 1.056,1293 1.852,1294 1.506,1295 1.434,1296 1.776,1297 1.748,1298 0.974,1299 1.75,1300 1.401,1301 1.33,1302 1.69,1303 1.702,1304 0.849,1305 1.709,1306 1.32,1307 1.244,1308 1.636,1309 1.55,1310 0.695,1311 1.583,1312 4.466,1314 5.74,1316 7.206,1318 8.774,1320 10.406,1322 3.68,1328 12.121,1329 2.463,1330 17.068,1333 2.31,1340 48.626,1341 112.802,1342 255.041,1343 351.171,1344 421.715,1345 456.244,1346 470.244,1347 86.844,1348 8.293,1349 81.01,1350 81.01,1351 24,1352 12.664,1353 4.392,1354 3.585,1355 74.493,1356 314,1357 260,1358 0.11,1359 299.113,1360 534.23,1361 721.595,1362 69618,1364 28.158,1365 0.704,1366 0.59,1367 28.158,1368 23.617,1369 19.529,1370 0.454,1371 0.332,1372 14.109,1373 18.825,1374 13.761,1375 11.519,1376 19.529,1377 14.288,1378 16.654,1379 0.297,1380 0.184,1381 16.654,1382 10.287,1383 13.443,1384 0.192,1385 0.1,1386 13.443,1387 7.018,1388 10.954,1389 0.123,1390 0.055,1391 10.954,1392 4.862,1393 8.685,1394 0.078,1395 0.03,1396 8.685,1397 3.308,1398 0.19,1399 122.126,1400 0.186,1401 38.104,1402 0.262,1403 198,1404 574.656,1405 217.743,1406 543.307,1407 738.03,1408 510,1409 225,1410 537.442,1411 244.112,1412 539.898,1413 787.27,1414 507,1415 7.662}
{0 CHEMBL1085629,1 1.464,2 8.263,3 2.348,4 5.515,5 74.528,6 6.676,7 0.286,8 3.756,9 3.883,10 3.24,11 3.257,12 4.729,13 3.224,14 4.358,15 4.554,16 3.622,17 3.694,18 5.331,19 3.63,20 4.609,21 4.838,22 3.608,23 3.844,24 5.44,25 3.739,26 4.63,27 4.857,28 3.48,29 3.822,30 5.492,31 3.681,32 4.633,33 4.922,34 3.324,35 3.669,36 5.419,37 3.507,38 4.358,39 4.621,40 3.114,41 3.419,42 5.201,43 3.277,44 4.133,45 4.383,46 2.947,47 3.206,48 5.029,49 3.073,50 4.029,51 4.295,52 2.689,53 2.938,54 5.028,55 2.809,56 0.023,57 0.564,58 9.223,59 3.713,60 5.553,61 5.211,62 0.333,63 0.933,64 17.864,65 6.246,66 29.076,67 9.148,68 0.217,69 1.107,70 23.059,71 8.284,72 23.813,73 11.936,74 0.199,75 1.086,76 23.504,77 8.909,78 31.61,79 12.591,80 0.216,81 1.012,82 24.055,83 8.16,84 29.815,85 12.224,86 0.259,87 0.759,88 18.411,89 6.187,90 24.813,91 8.977,92 0.122,93 0.626,94 14.461,95 4.841,96 17.516,97 7.13,98 0.299,99 0.519,100 13.698,101 3.676,102 30.361,103 5.505,104 16,105 30,106 0.267,107 0.601,108 0.84,109 0.881,110 0.881,111 0.881,112 3.011,113 0.999,114 -3.21,115 -3.2,116 -3.08,121 38.5,122 1,123 2,124 1,126 1,127 2,129 1,144 3,145 2,146 1,161 1,176 7,179 1,180 6,183 2,187 10,192 4,200 8,206 6,211 2,214 5,219 5,224 2,227 3,231 1,232 2,237 2,239 2,244 2,249 2,251 1,255 1,256 1,259 1,281 392,282 13.05,283 13.05,284 13.05,285 13.05,286 13.05,287 12.195,288 19.689,289 7.506,290 13.386,291 10.241,292 10.241,293 10.241,294 10.241,295 10.241,296 8.82,297 22.918,298 3.412,299 10.685,300 3.822,301 1.987,302 0.673,303 0.449,304 0.449,305 0.449,306 3.688,310 1,311 1,312 1,313 335,314 3,317 63.066,318 38.1,320 51.438,321 55.717,324 78.55,325 1.357,326 13.882,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 41,338 157,339 4.469,340 3.664,341 6.875,342 4.267,343 3.284,344 4.007,345 2.186,346 11.519,347 3.232,348 3.905,349 3.516,350 6.012,351 3.622,352 2.678,353 3.139,354 0.8,355 8.536,356 2.526,357 3.643,358 2.857,359 5.424,360 3.343,361 2.403,362 2.79,363 0.366,364 7.124,365 2.235,366 3.312,367 2.495,368 5.12,369 2.935,370 1.966,371 2.502,373 5.782,374 1.888,375 3.047,376 2.134,377 4.747,378 2.838,379 1.847,380 2.167,382 5.21,383 1.827,384 2.462,385 1.488,386 4.433,387 2.299,388 1.328,389 1.457,391 3.886,392 1.286,393 2.261,394 1.129,395 3.791,396 2.076,397 1.085,398 1.24,400 2.729,401 1.075,402 1.677,403 1.106,404 3.151,405 1.541,406 0.568,407 0.615,409 1.22,410 0.55,411 1.502,412 0.841,413 2.891,414 1.322,415 0.4,416 0.42,418 0.607,419 0.365,420 1.323,421 0.601,422 2.605,423 1.126,424 0.146,425 0.159,427 0.235,428 0.142,429 0.956,430 0.26,431 2.379,432 0.66,433 -0.32,434 -0.385,436 -0.745,437 -0.307,438 0.597,439 -0.376,440 2.22,441 0.171,442 -0.826,443 -1.047,445 -2.17,446 -0.821,447 0.429,448 -0.691,449 2,450 0.101,451 -0.893,452 -1.079,454 -2.597,455 -0.878,456 -0.139,457 -0.869,458 1.933,459 -0.277,460 -1.256,461 -1.406,463 -3.007,464 -1.218,465 -0.214,466 -1.056,467 1.608,468 -0.446,469 -1.41,470 -1.598,472 -3.495,473 -1.366,474 8.967,475 0.472,476 0.448,477 0.024,478 20.5,479 1.079,480 8,481 0.421,482 12.5,483 0.658,484 16.438,485 0.865,486 21.633,487 0.555,488 12.647,489 0.666,490 3.84,491 0.202,492 5.384,493 0.283,494 0.149,496 0.379,501 0.783,502 1.46,503 0.87,504 1.234,505 0.57,506 1.084,507 0.638,508 0.971,509 0.888,510 0.926,511 0.382,512 0.925,513 0.985,514 0.977,515 1.011,516 1.005,517 0.651,518 1.004,519 0.974,520 1.196,521 1.118,522 1.236,523 0.966,524 1.217,525 0.77,526 0.972,527 0.859,528 0.972,529 0.759,530 0.934,531 1.094,532 0.922,533 0.992,534 0.961,535 0.947,536 0.971,537 1.038,538 1.269,539 1.033,540 1.217,541 1.268,542 1.144,543 1.705,544 0.829,545 1.239,546 0.879,547 2.296,548 0.978,549 4,550 0.017,551 2.222,552 1.451,553 1.023,554 0.49,555 0.375,556 0.244,557 0.143,558 0.065,559 3080,560 7001,561 2.081,562 51.3,564 11,567 1,569 8,572 1.603,573 1.932,574 3.036,575 -0.301,577 1,579 1,582 57.089,583 1.464,584 3.298,585 4.612,586 4.836,587 4.836,588 4.836,589 2.55,590 4.248,591 4.213,592 3.127,593 534.649,594 7.182,595 5091.91,596 1,597 1,599 1,600 206.131,601 1.462,602 4.171,603 0.19,604 0.006,605 0.074,606 0.05,607 0.043,608 0.024,609 0.023,610 0.019,611 0.016,612 0.013,613 0.458,614 0.83,615 1,616 1.433,617 81.497,618 -0.013,619 -0.187,620 0.07,621 -0.07,622 -0.008,624 0.274,625 0.195,626 0.083,627 0.115,628 0.236,629 0.083,630 -0.102,631 0.072,632 -0.052,633 0.02,634 0.02,635 0.001,636 -0.087,637 -0.208,638 -0.172,639 -0.189,640 -0.042,641 -0.197,642 0.02,643 -0.064,644 0.094,645 -0.016,646 0.025,647 0.042,648 -0.008,649 -0.006,650 -0.007,651 0.003,652 -0.074,653 -0.004,654 -0.033,655 -0.318,656 -0.059,657 -0.241,658 -0.112,659 -0.169,660 -0.102,661 0.094,662 -0.175,663 -0.027,664 -0.231,665 -0.106,666 2.073,667 4.266,668 0.632,669 14.061,670 0.995,671 1.132,672 1.983,673 3.93,674 0.635,675 3.091,676 3.434,677 3.761,678 4.078,679 4.29,680 4.454,681 4.625,682 4.691,683 4.644,684 4.605,685 4.776,686 0.595,687 260.37,688 3.091,689 4.635,690 5.509,691 6.412,692 7.313,693 8.227,694 9.139,695 10.058,696 10.976,697 11.899,698 5.1,701 1,705 1,715 3,720 3,722 6,737 1,741 39,743 7,744 1,745 21,747 41,748 15,749 6,750 3,751 3,756 3,757 6,763 1,767 3,768 1,770 3,772 7,773 8,774 1,777 1,782 1,786 1,789 1,790 1,793 20,794 4,795 1,796 4,802 2,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 2,868 19,876 4,877 1,878 1,880 2,881 1,893 5.1,896 1,898 1,901 9.833,902 7.45,903 4.278,904 2.614,907 1.327,908 1.194,909 0.957,910 3.397,911 8.149,912 3.258,913 3.773,914 4.266,915 4.791,916 5.28,917 5.539,918 5.885,919 6.154,920 6.154,921 6.211,922 0.833,923 29,924 7.051,926 2.989,927 0.026,929 7.623,931 13.884,933 11.827,936 2.123,937 40.333,938 0.002,941 223.651,942 73.308,943 21.135,945 36.145,948 73.308,949 259.796,950 21.135,951 17.222,952 27.291,953 28.429,954 25.145,955 25.739,956 6.763,957 223.651,959 223.651,960 94.443,961 36.145,964 129.482,965 130.314,968 39.241,969 55.202,972 223.651,973 57.28,974 73.308,977 223.651,978 27.658,979 48.775,980 18.011,981 36.145,982 223.651,983 57.28,984 73.308,986 0.578,987 0.353,988 0.191,989 0.104,990 16,991 7,992 0.073,993 3,994 2,995 1.333,996 3.123,997 143.824,998 0.333,999 12,1000 80.711,1005 12.795,1006 5.044,1007 2.204,1009 57.28,1010 6.055,1015 3.438,1017 18.011,1018 354.239,1019 25,1024 11.266,1028 -0.406,1031 38.811,1032 44.152,1034 0.277,1035 0.624,1036 0.873,1037 0.915,1038 0.915,1039 0.915,1040 4.527,1041 0.568,1042 5.509,1043 2.729,1044 4.111,1045 4.454,1046 2.351,1047 6.368,1048 4.037,1049 5.698,1050 0.4,1051 7.096,1052 1.22,1053 3.761,1054 4.27,1055 1.847,1056 7.357,1057 3.657,1058 7.001,1059 0.146,1060 8.781,1061 0.607,1062 5.746,1063 6.499,1064 3.504,1065 10.486,1066 5.609,1067 8.335,1068 -0.32,1069 10.523,1070 0.235,1071 6.236,1072 7.108,1073 3.598,1074 12.332,1075 6.08,1076 9.703,1077 -0.826,1078 12.304,1079 -0.745,1080 7.695,1081 8.863,1082 4.907,1083 14.992,1084 7.518,1085 11.093,1086 -0.893,1087 14.113,1088 -2.17,1089 8.566,1090 9.837,1091 5.29,1092 17.194,1093 8.379,1094 12.5,1095 -1.256,1096 15.942,1097 -2.597,1098 9.834,1099 11.407,1100 6.387,1101 19.705,1102 9.633,1103 3.284,1104 -1.41,1105 17.789,1106 -3.007,1107 10.879,1108 12.568,1109 6.93,1110 22.051,1111 10.67,1112 2.678,1113 11.519,1114 19.649,1115 -3.495,1116 12.081,1117 14.053,1118 7.902,1119 24.513,1120 11.862,1121 2.403,1122 8.536,1123 21.521,1124 4.007,1125 13.202,1126 15.314,1127 8.539,1128 26.917,1129 12.975,1130 1.966,1131 7.124,1132 23.401,1133 3.139,1134 14.385,1135 16.755,1136 9.436,1137 29.364,1138 14.148,1139 1.847,1140 5.782,1141 25.29,1142 2.79,1143 15.541,1144 18.072,1145 10.13,1146 31.791,1147 15.294,1148 1.328,1149 5.21,1150 27.184,1151 2.502,1152 16.72,1153 19.489,1154 10.981,1155 34.235,1156 16.463,1157 1.085,1158 3.886,1159 29.084,1160 2.167,1161 17.891,1162 20.837,1163 11.71,1164 36.671,1165 17.622,1166 3094,1167 4758,1168 13.929,1169 24.773,1170 31.395,1171 32.541,1172 33.459,1173 31.406,1174 31.41,1175 36.992,1176 6.705,1177 93.7,1178 30.25,1179 5.431,1180 5.664,1181 6.427,1182 5.312,1183 5.284,1184 7.007,1185 3.889,1186 18.863,1187 5.232,1188 9.326,1189 1.495,1190 1.55,1191 1.593,1192 1.496,1193 1.496,1194 1.762,1195 0.319,1196 4.462,1197 1.44,1198 4.081,1199 4.115,1200 4.016,1201 4.006,1202 7.435,1203 4.004,1204 3.717,1205 3.763,1206 3.63,1207 3.563,1208 4.814,1209 3.568,1210 3.528,1211 3.593,1212 3.432,1213 3.242,1214 4.399,1215 3.271,1216 3.359,1217 3.445,1218 3.149,1219 3.176,1220 4.224,1221 3.166,1222 3.175,1223 3.246,1224 2.996,1225 3.022,1226 4.027,1227 3.006,1228 2.936,1229 2.983,1230 2.738,1231 2.758,1232 3.869,1233 2.74,1234 2.877,1235 2.948,1236 2.712,1237 2.621,1238 3.568,1239 2.645,1240 2.629,1241 2.73,1242 2.433,1243 2.396,1244 3.476,1245 2.394,1246 0.213,1247 0.174,1248 0.327,1249 0.203,1250 0.156,1251 4.469,1252 0.191,1253 3.664,1254 0.104,1255 6.875,1256 0.549,1257 4.267,1258 0.154,1259 3.284,1260 4.007,1261 2.186,1262 11.519,1263 3.232,1264 1.901,1265 1.883,1266 2.002,1267 1.987,1268 1.278,1269 1.99,1270 1.641,1271 1.575,1272 1.876,1273 1.855,1274 1.216,1275 1.865,1276 1.558,1277 1.494,1278 1.802,1279 1.741,1280 1.072,1281 1.748,1282 1.404,1283 1.336,1284 1.691,1285 1.703,1286 0.826,1287 1.714,1288 1.271,1289 1.186,1290 1.599,1291 1.493,1292 0.681,1293 1.536,1294 0.993,1295 0.94,1296 1.245,1297 1.258,1298 0.456,1299 1.242,1300 0.829,1301 0.774,1302 1.098,1303 1.083,1304 0.168,1305 1.1,1306 0.709,1307 0.655,1308 0.992,1309 0.952,1310 0.099,1311 0.985,1312 3.761,1314 5.094,1315 3.045,1316 6.621,1317 5.476,1318 8.244,1319 7.636,1320 9.923,1322 3.799,1328 4.658,1329 2.474,1330 5.227,1332 1.262,1333 2.559,1340 23.214,1341 57.089,1342 128.621,1343 179.866,1344 188.621,1345 188.621,1346 188.621,1347 24.52,1348 6.822,1349 41.57,1350 41.57,1351 16,1352 12.407,1353 3,1354 2.322,1355 27.831,1356 54,1357 58,1358 0.268,1359 142.347,1360 249.1,1361 339.086,1362 6931,1364 13.405,1365 0.706,1366 0.604,1367 13.405,1368 11.479,1369 9.224,1370 0.439,1371 0.333,1372 6.894,1373 8.84,1374 6.698,1375 5.539,1376 9.224,1377 6.99,1378 8.161,1379 0.272,1380 0.177,1381 8.161,1382 5.295,1383 7.265,1384 0.173,1385 0.105,1386 7.265,1387 4.428,1388 6.065,1389 0.105,1390 0.06,1391 6.065,1392 3.495,1393 4.828,1394 0.067,1395 0.033,1396 4.828,1397 2.403,1398 0.406,1399 57.87,1400 0.268,1401 18.736,1402 0.772,1403 102,1404 269.449,1405 112.555,1406 254.967,1407 351.37,1408 240,1409 123,1410 261.782,1411 132.312,1412 261.486,1413 386.86,1414 247,1415 6.597}
{0 CHEMBL1085630,1 1.322,2 13.5,3 5.569,4 31.018,5 106.729,6 5.976,7 0.214,8 4.142,9 4.283,10 3.518,11 3.645,12 5.007,13 3.579,14 4.768,15 4.984,16 3.85,17 4.071,18 5.606,19 3.959,20 5.069,21 5.343,22 3.844,23 4.209,24 5.758,25 4.054,26 5.068,27 5.341,28 3.79,29 4.179,30 5.807,31 4.013,32 5.048,33 5.333,34 3.717,35 4.084,36 5.813,37 3.92,38 4.916,39 5.19,40 3.588,41 3.957,42 5.708,43 3.796,44 4.791,45 5.068,46 3.503,47 3.825,48 5.614,49 3.674,50 4.644,51 4.894,52 3.397,53 3.692,54 5.591,55 3.563,56 0.068,57 0.832,58 15.118,59 6.108,60 7.682,61 8.787,62 0.394,63 1.374,64 27.831,65 10.24,66 33.02,67 15.171,68 0.302,69 1.657,70 36.127,71 12.98,72 26.994,73 19.395,74 0.296,75 1.614,76 36.022,77 13.037,78 33.786,79 19.303,80 0.34,81 1.508,82 35.347,83 12.028,84 37.433,85 17.994,86 0.387,87 1.305,88 31.29,89 10.611,90 34.09,91 15.635,92 0.277,93 1.16,94 27.534,95 9.172,96 29.328,97 13.698,98 0.404,99 1.01,100 24.596,101 7.57,102 39.136,103 11.231,104 25,105 37,106 0.219,107 0.467,108 0.702,109 0.837,110 0.89,111 0.89,112 3.303,113 1.13,114 -4.84,115 -4.75,116 -4.46,121 36.7,122 2,123 8,124 1,127 3,129 1,144 3,145 2,146 1,161 1,176 13,179 1,180 6,183 2,185 1,187 14,192 5,197 1,200 11,206 8,211 3,214 7,219 7,224 3,227 7,231 1,232 4,237 3,239 6,244 4,249 3,251 7,255 1,256 3,259 1,264 7,269 3,277 8,281 1126,282 17.999,283 17.999,284 17.999,285 17.999,286 17.999,287 17.145,288 21.27,289 11.24,290 18.283,291 13.817,292 13.817,293 13.817,294 13.817,295 13.817,296 12.419,297 25.418,298 5.297,299 14.268,300 4.585,301 3.085,302 1.664,303 0.85,304 0.525,305 0.525,306 3.989,311 1,312 1,313 742,314 4,317 107.831,318 63.062,320 87.544,321 93.645,324 131.664,325 2.115,326 17.584,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 55,338 351,339 4.47,340 3.669,341 6.876,342 4.268,343 3.285,344 4.007,345 2.186,346 11.525,347 3.232,348 3.909,349 3.518,350 6.017,351 3.628,352 2.684,353 3.142,354 0.8,355 8.572,356 2.531,357 3.657,358 2.864,359 5.433,360 3.366,361 2.425,362 2.802,363 0.366,364 7.172,365 2.259,366 3.33,367 2.501,368 5.126,369 2.994,370 2.029,371 2.519,373 5.819,374 1.948,375 3.055,376 2.138,377 4.796,378 2.855,379 1.865,380 2.174,382 5.421,383 1.844,384 2.843,385 1.9,386 4.463,387 2.807,388 1.808,389 1.842,391 4.045,392 1.8,393 2.544,394 1.575,395 3.827,396 2.411,397 1.429,398 1.548,400 3.616,401 1.4,402 2.43,403 1.55,404 3.791,405 2.366,406 1.374,407 1.419,409 2.744,410 1.359,411 2.261,412 1.191,413 3.396,414 2.108,415 1.121,416 1.239,418 2.662,419 1.105,420 1.983,421 1.036,422 3.221,423 1.884,424 0.899,425 0.964,427 1.744,428 0.884,429 1.846,430 0.95,431 3.037,432 1.78,433 0.804,434 0.822,436 1.467,437 0.781,438 1.557,439 0.85,440 2.885,441 1.38,442 0.403,443 0.444,445 0.914,446 0.392,447 1.17,448 0.479,449 2.54,450 1.099,451 0.127,452 0.13,454 0.226,455 0.123,456 1.063,457 0.286,458 2.376,459 0.769,460 -0.195,461 -0.222,463 -0.427,464 -0.186,465 0.625,466 -0.173,467 2.184,468 0.439,469 -0.521,470 -0.535,472 -0.968,473 -0.499,474 12.467,475 0.479,476 0.448,477 0.017,478 24,479 0.923,480 8,481 0.308,482 16,483 0.615,484 28.618,485 1.101,486 30.733,487 0.512,488 14.589,489 0.561,490 3.759,491 0.145,492 8.965,493 0.345,494 0.107,496 0.273,501 0.796,502 1.475,503 1.022,504 1.315,505 0.592,506 1.206,507 0.635,508 1.184,509 1.033,510 1.141,511 0.397,512 1.122,513 0.95,514 1.004,515 0.965,516 0.981,517 0.659,518 0.97,519 0.993,520 1.082,521 0.992,522 1.063,523 0.9,524 1.033,525 1.231,526 0.999,527 0.963,528 0.966,529 1.265,530 0.941,531 1.471,532 0.962,533 1.05,534 0.963,535 1.411,536 0.969,537 1.407,538 1.049,539 0.983,540 0.986,541 1.631,542 0.95,543 2.091,544 0.905,545 1.265,546 0.941,547 2.671,548 1.01,549 4,550 0.094,551 2.222,552 1.576,553 1.103,554 0.625,555 0.471,556 0.291,557 0.232,558 0.115,559 8613,560 14560,561 2.059,562 56.7,563 14,564 10,567 1,569 9,572 1.685,573 1.95,574 3.672,575 -0.408,582 79.332,583 1.322,584 2.822,585 4.243,586 5.057,587 5.382,588 5.382,589 3.229,590 4.47,591 4.658,592 3.828,593 1244,594 8.048,595 16354,600 354.413,601 1.3,602 4.642,603 0.143,604 0.006,605 0.06,606 0.044,607 0.033,608 0.021,609 0.018,610 0.012,611 0.011,612 0.006,613 0.355,614 0.33,615 1,616 2.375,617 130.621,618 0.02,619 -0.133,620 0.061,621 -0.048,622 0.015,623 0.002,624 0.297,625 0.001,626 0.01,627 -0.037,628 0.24,629 -0.041,630 -0.036,631 0.027,632 0.026,633 0.025,634 0.018,635 0.033,636 -0.02,637 -0.078,638 -0.003,639 -0.056,640 0.032,641 -0.031,642 -0.035,643 -0.038,644 0.04,645 -0.008,646 -0.023,647 0.02,648 -0.039,649 -0.003,650 -0.022,651 -0.001,652 -0.095,653 -0.01,654 -0.045,655 -0.089,656 0.04,657 -0.028,658 -0.087,659 0.008,660 -0.131,661 0.11,662 -0.156,663 -0.004,664 -0.244,665 -0.074,666 1.992,667 5.025,668 0.462,669 31.533,670 0.983,671 1.134,672 3.614,673 13.063,674 0.618,675 3.367,676 3.638,677 3.912,678 4.22,679 4.419,680 4.585,681 4.771,682 4.86,683 4.868,684 4.913,685 7.419,686 0.565,687 358.58,688 3.367,689 4.875,690 5.714,691 6.586,692 7.46,693 8.353,694 9.247,695 10.154,696 11.06,697 11.974,698 3.3,701 1,705 1,715 3,720 3,722 6,737 1,741 60,743 7,744 1,745 28,747 62,748 22,749 6,750 3,751 3,756 3,757 6,763 2,767 3,768 1,770 9,772 7,773 15,774 1,777 1,782 1,786 1,793 34,794 4,795 1,796 4,802 2,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 2,868 26,876 11,877 1,878 1,880 2,881 1,893 3.3,896 1,898 1,901 13.333,902 10.95,903 6.028,904 4.489,907 1.284,908 1.174,909 0.937,910 7.243,911 8.663,912 3.497,913 3.922,914 4.36,915 4.87,916 5.335,917 5.592,918 5.946,919 6.23,920 6.285,921 6.421,922 1,923 36,924 9.723,926 4.013,927 0.026,929 7.455,931 19.599,933 16.474,936 1.955,937 50.833,941 388.446,942 91.05,943 21.135,945 36.145,948 91.05,949 424.591,950 21.135,951 17.65,952 44.604,953 28.429,954 25.145,955 25.739,956 6.763,957 388.446,959 388.446,960 112.185,961 36.145,964 282.506,965 142.085,968 65.379,969 46.806,972 388.446,973 57.28,974 91.05,977 388.446,978 44.97,979 49.203,980 18.011,981 36.145,982 388.446,983 57.28,984 91.05,986 0.552,987 0.315,988 0.178,989 0.097,990 16,991 7,992 0.161,993 10,994 2,995 1.333,996 3.951,997 204.153,998 0.333,999 12,1000 122.211,1005 19.538,1006 9.639,1007 4.95,1009 57.28,1010 6.215,1015 3.518,1017 18.011,1018 536.776,1019 32,1024 12.025,1028 -0.325,1031 58.996,1032 68.059,1034 0.224,1035 0.478,1036 0.718,1037 0.856,1038 0.911,1039 0.911,1040 4.732,1041 1.374,1042 5.666,1043 3.616,1044 4.317,1045 4.605,1046 2.351,1047 6.466,1048 4.255,1049 5.85,1050 1.121,1051 7.206,1052 2.744,1053 3.761,1054 4.27,1055 1.847,1056 7.357,1057 3.657,1058 7.115,1059 0.899,1060 8.854,1061 2.662,1062 5.872,1063 6.56,1064 3.504,1065 10.518,1066 5.745,1067 8.418,1068 0.804,1069 10.572,1070 1.744,1071 6.236,1072 7.108,1073 3.598,1074 12.339,1075 6.08,1076 9.763,1077 0.403,1078 12.337,1079 1.467,1080 7.762,1081 8.885,1082 4.907,1083 15.006,1084 7.588,1085 11.136,1086 0.127,1087 14.135,1088 0.914,1089 8.571,1090 9.839,1091 5.29,1092 17.202,1093 8.383,1094 12.531,1095 -0.195,1096 15.958,1097 0.226,1098 9.868,1099 11.415,1100 6.387,1101 19.713,1102 9.666,1103 3.285,1104 -0.521,1105 17.801,1106 -0.427,1107 10.886,1108 12.57,1109 6.93,1110 22.058,1111 10.676,1112 2.684,1113 11.525,1114 19.658,1115 -0.968,1116 12.1,1117 14.056,1118 7.902,1119 24.521,1120 11.878,1121 2.425,1122 8.572,1123 21.528,1124 4.007,1125 13.21,1126 15.316,1127 8.539,1128 26.924,1129 12.98,1130 2.029,1131 7.172,1132 23.407,1133 3.142,1134 14.397,1135 16.757,1136 9.436,1137 29.372,1138 14.156,1139 1.865,1140 5.819,1141 25.295,1142 2.802,1143 15.548,1144 18.073,1145 10.13,1146 31.798,1147 15.298,1148 1.808,1149 5.421,1150 27.189,1151 2.519,1152 16.729,1153 19.49,1154 10.981,1155 34.243,1156 16.468,1157 1.429,1158 4.045,1159 29.089,1160 2.174,1161 17.898,1162 20.838,1163 11.71,1164 36.679,1165 17.626,1166 8552,1167 11301,1168 18.781,1169 37.103,1170 40.394,1171 41.532,1172 42.311,1173 40.543,1174 40.507,1175 46.103,1176 6.705,1177 111.854,1178 39.316,1179 5.432,1180 5.669,1181 6.84,1182 5.346,1183 5.285,1184 7.007,1185 3.889,1186 18.879,1187 5.232,1188 12.013,1189 1.443,1190 1.483,1191 1.511,1192 1.448,1193 1.447,1194 1.647,1195 0.239,1196 3.995,1197 1.404,1198 4.084,1199 4.118,1200 4.018,1201 4.008,1202 7.435,1203 4.006,1204 3.784,1205 3.851,1206 3.655,1207 3.648,1208 4.814,1209 3.63,1210 3.726,1211 3.776,1212 3.602,1213 3.58,1214 4.392,1215 3.582,1216 3.581,1217 3.651,1218 3.442,1219 3.389,1220 4.256,1221 3.383,1222 3.494,1223 3.567,1224 3.302,1225 3.353,1226 4.155,1227 3.33,1228 3.345,1229 3.402,1230 3.192,1231 3.107,1232 4.051,1233 3.126,1234 3.164,1235 3.24,1236 2.981,1237 3.004,1238 3.953,1239 2.989,1240 3.023,1241 3.093,1242 2.807,1243 2.789,1244 3.739,1245 2.785,1246 0.16,1247 0.131,1248 0.246,1249 0.152,1250 0.117,1251 4.47,1252 0.143,1253 3.669,1254 0.078,1255 6.876,1256 0.412,1257 4.268,1258 0.115,1259 3.285,1260 4.007,1261 2.186,1262 11.525,1263 3.232,1264 1.901,1265 1.883,1266 2.039,1267 1.992,1268 1.379,1269 1.998,1270 1.782,1271 1.718,1272 2.003,1273 1.947,1274 1.278,1275 1.978,1276 1.686,1277 1.616,1278 1.934,1279 1.887,1280 1.254,1281 1.905,1282 1.571,1283 1.514,1284 1.852,1285 1.786,1286 1.127,1287 1.808,1288 1.561,1289 1.489,1290 1.803,1291 1.712,1292 1.12,1293 1.747,1294 1.389,1295 1.315,1296 1.672,1297 1.611,1298 0.933,1299 1.639,1300 1.268,1301 1.201,1302 1.577,1303 1.549,1304 0.778,1305 1.556,1306 1.057,1307 1.001,1308 1.335,1309 1.322,1310 0.513,1311 1.328,1312 4.043,1314 5.323,1315 3.045,1316 6.792,1317 5.476,1318 8.368,1319 7.636,1320 10.015,1322 4.463,1328 12.636,1329 2.877,1330 5.527,1332 1.263,1333 2.635,1340 33.901,1341 79.332,1342 169.291,1343 254.581,1344 303.394,1345 322.904,1346 322.904,1347 45.63,1348 7.378,1349 41.57,1350 41.57,1351 16,1352 12.489,1353 3,1354 2.322,1355 44.795,1356 113,1357 146,1358 0.193,1359 209.493,1360 370.2,1361 502.924,1362 15845,1364 18.355,1365 0.706,1366 0.632,1367 18.355,1368 16.429,1369 12.724,1370 0.454,1371 0.377,1372 10.459,1373 12.362,1374 10.197,1375 8.537,1376 12.724,1377 10.551,1378 10.69,1379 0.289,1380 0.211,1381 10.69,1382 7.794,1383 8.753,1384 0.179,1385 0.12,1386 8.753,1387 5.878,1388 7.512,1389 0.112,1390 0.068,1391 7.512,1392 4.572,1393 5.862,1394 0.071,1395 0.038,1396 5.862,1397 3.131,1398 0.312,1399 78.766,1400 0.231,1401 25.823,1402 0.499,1403 130,1404 297.449,1405 140.889,1406 284.113,1407 392.67,1408 268,1409 151,1410 292.064,1411 160.812,1412 292.211,1413 431.3,1414 277,1415 6.201}
{0 CHEMBL1085702,1 1.3,2 18.625,3 6.037,4 36.45,5 201.599,6 6.656,7 0.611,8 4.638,9 4.781,10 4.116,11 4.211,12 5.619,13 4.16,14 5.193,15 5.384,16 4.458,17 4.635,18 6.085,19 4.55,20 5.51,21 5.757,22 4.58,23 4.808,24 6.33,25 4.698,26 5.562,27 5.812,28 4.593,29 4.85,30 6.371,31 4.732,32 5.604,33 5.839,34 4.618,35 4.929,36 6.404,37 4.8,38 5.717,39 5.969,40 4.575,41 4.972,42 6.505,43 4.813,44 5.767,45 6.051,46 4.446,47 4.901,48 6.535,49 4.714,50 5.686,51 5.997,52 4.237,53 4.725,54 6.427,55 4.52,56 0.132,57 1.429,58 22.305,59 8.798,60 17.258,61 12.731,62 0.247,63 2.351,64 39.726,65 15.324,66 29.417,67 22.431,68 0.398,69 3.038,70 55.973,71 20.429,72 47.547,73 30.508,74 0.577,75 3.203,76 59.298,77 21.638,78 51.549,79 32.072,80 0.422,81 3.327,82 60.947,83 23.703,84 43.908,85 34.712,86 0.427,87 3.613,88 68.605,89 26.777,90 55.671,91 39.345,92 0.486,93 3.654,94 73.221,95 27.299,96 72.711,97 40.779,98 0.648,99 3.295,100 68.817,101 24.081,102 77.794,103 36.481,104 5,105 74,106 0.189,107 0.495,108 0.663,109 0.799,110 0.856,111 0.886,112 3.894,113 0.99,114 -5.29,115 -5.18,116 -4.84,121 42.7,123 7,127 6,144 15,145 6,146 3,148 4,165 2,166 2,167 2,176 21,180 4,185 11,187 26,189 9,192 4,197 5,200 22,203 8,206 2,209 1,210 2,211 6,213 2,214 29,216 6,217 1,224 5,226 1,227 32,229 5,230 1,232 1,237 16,239 27,241 8,249 16,251 15,253 9,259 1,260 2,261 11,263 2,264 11,266 3,273 2,274 5,276 3,277 8,279 1,280 1,281 5388,282 33.57,283 33.57,284 33.57,285 33.57,286 33.57,287 29.712,288 35.499,289 20.582,290 33.962,291 26.799,292 26.799,293 26.799,294 26.799,295 26.799,296 20.904,297 42.408,298 9.92,299 27.449,300 5.285,301 3.176,302 2.02,303 1.082,304 0.687,305 0.479,306 4.62,313 2012,314 4.359,318 872.271,322 852.681,325 2.458,326 24.713,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.49,337 99.5,338 894,339 4.839,340 3.417,341 7.141,342 4.369,343 3.393,344 4.905,345 0.4,346 12.515,347 3.314,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 4.564,354 0.4,355 11.348,356 3.162,357 4.167,358 2.758,359 6.325,360 3.736,361 2.744,362 3.884,363 0.4,364 9.493,365 2.721,366 4.053,367 2.679,368 6.102,369 3.599,370 2.624,371 3.689,373 8.753,374 2.557,375 3.914,376 2.669,377 5.982,378 3.524,379 2.532,380 3.437,382 8.37,383 2.512,384 3.602,385 2.359,386 5.381,387 3.179,388 2.209,389 3.068,391 6.711,392 2.141,393 3.577,394 2.309,395 5.245,396 3.146,397 2.182,398 3,400 6.315,401 2.108,402 3.522,403 2.267,404 5.021,405 3.135,406 2.172,407 2.893,409 5.986,410 2.078,411 3.347,412 2.142,413 4.881,414 2.894,415 1.928,416 2.697,418 5.405,419 1.878,420 2.948,421 1.965,422 4.22,423 2.878,424 1.908,425 2.142,427 3.905,428 1.832,429 2.933,430 1.952,431 4.116,432 2.7,433 1.745,434 1.982,436 3.664,437 1.666,438 2.836,439 1.708,440 4.073,441 2.52,442 1.538,443 1.942,445 3.409,446 1.51,447 2.779,448 1.522,449 3.989,450 2.465,451 1.479,452 1.804,454 3.329,455 1.456,456 2.678,457 1.45,458 3.903,459 2.361,460 1.369,461 1.752,463 3.242,464 1.358,465 2.618,466 1.411,467 3.766,468 2.345,469 1.347,470 1.65,472 3.187,473 1.343,474 23.3,475 0.485,476 0.846,477 0.018,478 60.75,479 1.266,480 30.5,481 0.635,482 30.25,483 0.63,484 50.579,485 1.054,486 50.8,487 0.529,488 50.219,489 1.046,490 11.402,491 0.238,492 12.268,493 0.256,494 0.034,496 0.296,501 1.199,502 1.169,503 0.936,504 0.986,505 1.184,506 0.947,507 1.137,508 1.181,509 1.003,510 1.057,511 0.73,512 1.026,513 1.154,514 1.031,515 0.915,516 0.913,517 0.895,518 0.898,519 1.141,520 0.891,521 0.986,522 0.901,523 0.842,524 0.926,525 1.021,526 1.045,527 1.058,528 1.061,529 0.802,530 1.063,531 0.948,532 1.136,533 1.111,534 1.163,535 0.917,536 1.153,537 0.958,538 1.138,539 1.063,540 1.125,541 1.076,542 1.107,543 1.09,544 0.929,545 1.023,546 0.961,547 1.229,548 0.982,549 5.5,550 0.161,551 4.222,552 3.125,553 3.164,554 1.5,555 1.168,556 0.583,557 0.393,558 0.215,559 55818,560 109389,561 2.187,562 50,563 6,564 27,567 7,568 2,570 6,572 1.835,573 2.118,574 3.974,575 3.435,582 124.767,583 1.3,584 3.408,585 4.565,586 5.503,587 5.897,588 6.106,589 3.186,590 5.085,591 5.566,592 4.334,593 4888.87,594 9.828,595 109977,600 632.156,601 1.099,602 5.546,603 0.102,604 0.004,605 0.057,606 0.038,607 0.039,608 0.018,609 0.015,610 0.009,611 0.008,612 0.005,613 0.295,615 0.63,616 0.307,617 294.302,618 -0.082,619 0.036,620 0.048,621 0.074,622 -0.093,623 0.072,624 -0.069,625 -0.059,626 -0.018,627 -0.026,628 0.067,629 -0.019,630 -0.032,631 0.013,632 0.083,633 0.077,634 0.028,635 0.087,636 0.048,637 0.161,638 0.017,639 0.08,640 0.02,641 0.052,642 -0.071,643 -0.006,644 -0.077,645 -0.044,646 -0.027,647 -0.058,648 -0.074,649 -0.137,650 -0.134,651 -0.15,652 -0.032,653 -0.148,654 -0.017,655 -0.181,656 -0.076,657 -0.142,658 0.005,659 -0.119,660 0.048,661 0.014,662 -0.016,663 -0.017,664 -0.028,665 -0.021,666 0.895,667 2.325,668 0.708,669 65.01,670 0.983,671 1.125,672 4.061,673 16.492,674 0.663,675 4.007,676 4.317,677 4.644,678 4.99,679 5.328,680 5.472,681 5.649,682 5.787,683 5.886,684 5.808,685 11.759,686 0.614,687 638.96,688 4.007,689 5.549,690 6.415,691 7.306,692 8.201,693 9.108,694 10.017,695 10.934,696 11.851,697 12.773,698 7.3,700 2,702 2,703 1,708 2,714 6,715 15,716 1,720 7,721 1,722 33,733 2,734 1,741 96,743 33,744 4,745 54,747 102,748 41,749 28,750 9,751 15,756 7,757 13,767 4,770 7,772 28,773 13,793 48,794 6,795 7,796 7,802 7,803 1,808 0.429,822 2,829 7,833 4,853 2,859 3,868 48,869 2,876 13,877 3,901 22.667,902 16.617,903 10.639,904 6.267,907 6.764,908 1.705,909 1.043,910 10.446,911 16.354,912 4.27,913 4.909,914 5.594,915 6.3,916 6.997,917 7.45,918 7.964,919 8.439,920 8.876,921 9.068,922 1,923 82,924 17.787,926 7.543,927 0.026,929 7.41,931 35.473,933 30.151,936 1.91,937 91.667,941 482.615,942 207.255,943 138.511,948 207.255,949 482.615,950 138.511,952 30.376,953 243.96,954 36.695,955 34.735,957 482.615,959 482.615,960 345.766,964 411.989,965 70.627,968 76.199,969 232.871,970 36.695,972 482.615,973 138.511,974 207.255,977 482.615,978 65.111,979 144.043,980 54.032,981 82.58,982 482.615,983 138.511,984 207.255,986 0.567,987 0.333,988 0.199,989 0.123,990 35,991 14,992 0.137,993 14,994 4,995 1.235,996 5.778,997 512.407,998 0.235,999 34,1000 262.078,1005 32.481,1006 15.437,1007 7.354,1008 7.085,1009 136.612,1010 31.683,1011 4.974,1015 7.967,1016 2.435,1017 119.827,1018 828.381,1019 70.5,1031 94.326,1032 108,1034 0.197,1035 0.518,1036 0.693,1037 0.836,1038 0.896,1039 0.927,1040 5.498,1041 2.172,1042 6.375,1043 6.315,1044 5.004,1045 5.598,1046 0.673,1047 7.21,1048 4.958,1049 6.699,1050 1.928,1051 7.933,1052 5.986,1053 4.443,1054 5.44,1056 8.176,1057 4.372,1058 8.013,1059 1.908,1060 9.605,1061 5.405,1062 6.592,1063 7.908,1064 0.143,1065 11.376,1066 6.504,1067 9.373,1068 1.745,1069 11.349,1070 3.905,1071 6.948,1072 8.671,1074 13.257,1075 6.836,1076 10.775,1077 1.538,1078 13.142,1079 3.664,1080 8.505,1081 10.579,1082 0.024,1083 15.972,1084 8.378,1085 12.207,1086 1.479,1087 14.969,1088 3.409,1089 9.312,1090 11.77,1092 18.214,1093 9.161,1094 13.664,1095 1.369,1096 16.821,1097 3.329,1098 10.632,1099 13.459,1100 0.004,1101 20.777,1102 10.464,1103 3.393,1104 1.347,1105 18.691,1106 3.242,1107 11.656,1108 14.854,1110 23.167,1111 11.462,1112 3.226,1113 12.515,1114 20.574,1115 3.187,1116 12.887,1117 16.46,1118 0.001,1119 25.684,1120 12.675,1121 2.744,1122 11.348,1123 22.468,1124 4.905,1125 14.009,1126 17.949,1128 28.138,1129 13.771,1130 2.624,1131 9.493,1132 24.37,1133 4.564,1134 15.213,1135 19.525,1137 30.643,1138 14.953,1139 2.532,1140 8.753,1141 26.28,1142 3.884,1143 16.379,1144 21.058,1146 33.126,1147 16.094,1148 2.209,1149 8.37,1150 28.195,1151 3.689,1152 17.576,1153 22.627,1155 35.631,1156 17.269,1157 2.182,1158 6.711,1159 30.116,1160 3.437,1161 18.762,1162 24.181,1164 38.129,1165 18.43,1166 50301,1167 70613,1168 37.561,1169 63.649,1170 79.65,1171 79.987,1172 81.62,1173 79.587,1174 79.577,1175 104.955,1176 2.4,1177 225.64,1178 77.718,1179 5.812,1180 5.417,1181 7.086,1182 5.414,1183 5.393,1184 7.905,1185 0.8,1186 20.515,1187 5.314,1188 14.342,1189 1.475,1190 1.481,1191 1.511,1192 1.474,1193 1.474,1194 1.944,1195 0.044,1196 4.179,1197 1.439,1198 4.23,1199 4.257,1200 4.2,1201 4.166,1202 5.168,1203 4.171,1204 4.107,1205 4.137,1206 4.069,1207 4.036,1208 5.086,1209 4.04,1210 3.859,1211 3.889,1212 3.791,1213 3.808,1214 4.971,1215 3.8,1216 3.772,1217 3.844,1218 3.694,1219 3.677,1220 4.824,1221 3.676,1222 3.747,1223 3.794,1224 3.623,1225 3.651,1226 4.666,1227 3.637,1228 3.731,1229 3.78,1230 3.604,1231 3.577,1232 4.418,1233 3.574,1234 3.648,1235 3.725,1236 3.5,1237 3.477,1238 4.377,1239 3.471,1240 3.523,1241 3.599,1242 3.378,1243 3.36,1244 4.278,1245 3.352,1246 0.09,1247 0.063,1248 0.132,1249 0.081,1250 0.063,1251 4.839,1252 0.091,1253 3.417,1254 0.007,1255 7.141,1256 0.232,1257 4.369,1258 0.061,1259 3.393,1260 4.905,1261 0.4,1262 12.515,1263 3.314,1264 2.176,1265 2.156,1266 2.228,1267 2.254,1268 1.447,1269 2.248,1270 2.072,1271 2.046,1272 2.158,1273 2.163,1274 1.435,1275 2.163,1276 1.869,1277 1.842,1278 1.99,1279 1.951,1280 1.271,1281 1.965,1282 1.754,1283 1.715,1284 1.976,1285 1.944,1286 1.203,1287 1.961,1288 1.751,1289 1.709,1290 1.949,1291 1.874,1292 1.145,1293 1.902,1294 1.726,1295 1.654,1296 1.899,1297 1.87,1298 1.108,1299 1.883,1300 1.639,1301 1.567,1302 1.854,1303 1.837,1304 1.063,1305 1.849,1306 1.524,1307 1.451,1308 1.793,1309 1.722,1310 0.926,1311 1.749,1312 4.691,1314 6.004,1316 7.532,1318 9.177,1320 10.892,1326 12.642,1328 13.777,1329 11.104,1340 58.949,1341 124.767,1342 327.212,1343 438.195,1344 528.282,1345 566.156,1346 586.156,1347 72.242,1348 9.59,1349 104.9,1350 104.9,1351 42,1352 13.282,1353 5.087,1354 4.129,1355 69.373,1356 354,1357 262,1358 0.092,1359 357.416,1360 604.66,1361 863.854,1362 336516,1364 32.71,1365 0.681,1366 0.582,1367 32.71,1368 27.955,1369 23.67,1370 0.438,1371 0.33,1372 17.687,1373 23.219,1374 17.346,1375 14.377,1376 23.67,1377 17.817,1378 20.56,1379 0.278,1380 0.178,1381 20.56,1382 13.203,1383 17.683,1384 0.172,1385 0.095,1386 17.683,1387 9.825,1388 15.616,1389 0.107,1390 0.052,1391 15.616,1392 7.521,1393 13.965,1394 0.068,1395 0.028,1396 13.965,1397 5.802,1398 0.154,1399 144.996,1400 0.163,1401 42.698,1402 0.229,1403 256,1404 517.601,1405 267.351,1406 529.047,1407 762.92,1408 502,1409 305,1410 592.268,1411 317.323,1412 610.004,1413 900.88,1414 581,1415 8.827}
{0 CHEMBL1085703,1 1.341,2 18.333,3 5.115,4 26.165,5 190.726,6 6.446,7 0.571,8 4.602,9 4.746,10 4.043,11 4.127,12 5.597,13 4.075,14 5.151,15 5.36,16 4.354,17 4.524,18 6.029,19 4.444,20 5.414,21 5.645,22 4.472,23 4.724,24 6.244,25 4.611,26 5.582,27 5.846,28 4.497,29 4.806,30 6.343,31 4.668,32 5.615,33 5.865,34 4.544,35 4.875,36 6.39,37 4.731,38 5.725,39 6.001,40 4.512,41 4.897,42 6.497,43 4.74,44 5.693,45 5.965,46 4.392,47 4.847,48 6.488,49 4.664,50 5.708,51 6.028,52 4.212,53 4.718,54 6.42,55 4.505,56 0.126,57 1.367,58 22.479,59 8.633,60 19.525,61 12.626,62 0.338,63 2.181,64 39.714,65 13.944,66 32.992,67 20.872,68 0.357,69 2.73,70 51.268,71 18.97,72 42.432,73 28.228,74 0.627,75 3.059,76 61.031,77 22.507,78 51.824,79 33.293,80 0.4,81 3.221,82 62.283,83 24.146,84 46.288,85 35.634,86 0.586,87 3.466,88 70.497,89 25.029,90 64.717,91 37.802,92 0.462,93 3.356,94 67.776,95 24.93,96 70.009,97 37.56,98 0.699,99 3.175,100 69.54,101 24.042,102 78.007,103 36.873,104 27,105 66,106 0.197,107 0.49,108 0.678,109 0.805,110 0.869,111 0.891,112 3.831,113 0.994,114 -5.31,115 -5.19,116 -4.85,121 40.4,123 3,126 3,127 7,144 15,145 5,146 3,148 2,165 2,166 2,167 2,176 17,180 6,185 6,187 21,189 9,192 3,197 3,200 18,203 8,205 2,206 3,209 1,211 2,213 2,214 22,216 6,217 1,219 1,224 3,226 1,227 23,229 5,230 1,232 4,237 12,239 19,241 8,244 1,249 14,251 12,253 9,255 1,256 2,258 1,259 1,260 1,261 7,263 1,264 10,266 3,269 1,273 2,274 3,276 3,277 7,279 1,280 1,281 4947,282 30.819,283 30.819,284 30.819,285 30.819,286 30.819,287 27.497,288 35.383,289 18.751,290 31.42,291 24.194,292 24.194,293 24.194,294 24.194,295 24.194,296 19.202,297 44.173,298 8.91,299 25.067,300 5.213,301 3.22,302 1.942,303 1.073,304 0.641,305 0.492,306 4.536,312 1,313 1793,314 4.848,318 656.947,322 409.069,325 2.622,326 21.708,329 0.75,330 0.67,331 0.67,332 0.9,333 0.5,334 0.67,335 0.5,336 0.66,337 94,338 825,339 4.839,340 3.417,341 7.141,342 4.369,343 3.393,344 4.905,345 0.916,346 12.515,347 3.314,348 4.204,349 3.177,350 6.325,351 3.833,352 2.868,353 3.884,354 0.86,355 9.493,356 2.768,357 4.167,358 2.758,359 6.153,360 3.736,361 2.744,362 3.805,363 0.8,364 9.086,365 2.721,366 4.053,367 2.73,368 6.102,369 3.599,370 2.624,371 3.689,372 0.4,373 8.753,374 2.557,375 3.602,376 2.679,377 5.245,378 3.329,379 2.404,380 3.068,381 0.172,382 6.315,383 2.222,384 3.577,385 2.625,386 5.077,387 3.179,388 2.245,389 3,391 6.184,392 2.141,393 3.417,394 2.309,395 5.021,396 3.16,397 2.209,398 2.697,400 5.986,401 2.108,402 3.347,403 2.265,404 4.994,405 3.145,406 2.172,407 2.433,409 5.96,410 2.054,411 3.287,412 2.029,413 4.881,414 2.893,415 1.908,416 2.322,418 5.405,419 1.877,420 2.917,421 1.953,422 4.277,423 2.745,424 1.797,425 2.087,427 3.967,428 1.701,429 2.851,430 1.929,431 4.22,432 2.493,433 1.544,434 1.981,436 3.74,437 1.461,438 2.821,439 1.521,440 4.073,441 2.44,442 1.448,443 1.912,445 3.304,446 1.432,447 2.798,448 1.478,449 3.843,450 2.396,451 1.408,452 1.835,454 3.193,455 1.389,456 2.676,457 1.359,458 3.683,459 2.327,460 1.336,461 1.753,463 3.029,464 1.322,465 2.541,466 1.228,467 3.621,468 2.183,469 1.188,470 1.552,472 2.919,473 1.181,474 21.733,475 0.483,476 0.904,477 0.02,478 54.75,479 1.217,480 26.5,481 0.589,482 28.25,483 0.628,484 47.349,485 1.052,486 49.367,487 0.525,488 47.505,489 1.056,490 10.981,491 0.244,492 10.959,493 0.244,494 0.106,496 0.285,501 1.106,502 1.347,503 0.97,504 1.127,505 1.198,506 1.047,507 1.489,508 1.025,509 1.029,510 0.908,511 0.808,512 0.921,513 1.06,514 1.137,515 1.029,516 1.067,517 0.878,518 1.046,519 0.96,520 0.871,521 0.95,522 0.902,523 0.748,524 0.923,525 0.731,526 1.134,527 0.986,528 1.108,529 0.653,530 1.075,531 1.151,532 0.979,533 1.042,534 0.96,535 0.943,536 0.985,537 0.877,538 1.229,539 1.128,540 1.208,541 1.122,542 1.191,543 0.835,544 0.875,545 0.938,546 0.893,547 1.103,548 0.916,549 7,550 0.182,551 4.222,552 2.938,553 2.827,554 1.632,555 1.131,556 0.622,557 0.451,558 0.242,559 42695,560 87728,561 2.082,562 52.1,564 38,567 5,570 6,572 1.822,573 1.971,574 3.985,575 1.977,582 126.08,583 1.341,584 3.334,585 4.613,586 5.481,587 5.913,588 6.062,589 3.303,590 5.253,591 5.464,592 4.341,593 4297.1,594 9.645,595 90049.4,600 616.131,601 1.312,602 5.433,603 0.143,604 0.005,605 0.064,606 0.041,607 0.039,608 0.021,609 0.016,610 0.01,611 0.009,612 0.006,613 0.354,615 0.63,616 0.596,617 270.419,618 -0.019,619 -0.095,620 0.053,621 -0.014,622 -0.093,623 0.021,624 -0.173,625 0.127,626 0.004,627 0.117,628 0.034,629 0.084,630 -0.063,631 -0.049,632 -0.029,633 -0.036,634 -0.01,635 -0.029,636 0.075,637 0.148,638 0.047,639 0.095,640 0.044,641 0.071,642 0.031,643 -0.106,644 -0.012,645 -0.073,646 0.062,647 -0.051,648 -0.119,649 0.027,650 -0.047,651 0.019,652 -0.018,653 -0.003,654 -0.05,655 -0.231,656 -0.151,657 -0.21,658 -0.05,659 -0.193,660 0.08,661 0.049,662 0.044,663 0.039,664 0.006,665 0.038,666 0.896,667 2.314,668 0.578,669 66.456,670 0.983,671 1.129,672 4.075,673 16.607,674 0.647,675 3.912,676 4.205,677 4.477,678 4.779,679 5.081,680 5.215,681 5.371,682 5.509,683 5.617,684 5.58,685 11.178,686 0.598,687 605.93,688 3.912,689 5.442,690 6.286,691 7.162,692 8.035,693 8.928,694 9.818,695 10.722,696 11.625,697 12.537,698 6.4,700 1,701 2,702 2,708 1,714 4,715 15,720 6,721 1,722 28,733 2,739 1,741 94,743 28,744 4,745 49,747 98,748 38,749 25,750 9,751 15,756 5,757 8,770 3,772 25,773 13,793 49,794 6,795 5,796 7,802 6,803 1,808 0.6,809 1,822 1,829 5,833 2,853 1,855 2,859 3,864 3,868 45,869 2,876 10,877 1,878 1,881 2,893 1.1,898 1,901 22.833,902 17.233,903 10.139,904 5.675,907 5.258,908 1.602,909 0.993,910 11.803,911 13.992,912 4.159,913 4.758,914 5.39,915 6.064,916 6.748,917 7.187,918 7.72,919 8.219,920 8.683,921 8.943,922 1,923 72,924 16.629,926 6.809,927 0.026,929 7.448,931 32.927,933 26.887,936 1.948,937 87.667,941 517.928,942 221.911,943 91.953,945 11,948 221.911,949 528.928,950 91.953,951 27.676,952 22.344,953 225.949,954 1.899,955 46.996,957 517.928,959 517.928,960 313.864,961 11,964 447.302,965 81.626,968 51.504,969 260.461,970 1.899,972 517.928,973 102.953,974 221.911,977 517.928,978 52.091,979 177.967,980 18.011,981 76.794,982 517.928,983 102.953,984 221.911,986 0.566,987 0.327,988 0.185,989 0.111,990 28,991 13,992 0.163,993 16,994 2,995 1.154,996 5.445,997 450.025,998 0.154,999 26,1000 241.133,1005 32.861,1006 16.163,1007 8.601,1008 4.71,1009 101.054,1010 31.363,1015 6.109,1016 2.434,1017 83.805,1018 842.792,1019 63,1031 92.436,1032 106.126,1034 0.205,1035 0.509,1036 0.704,1037 0.836,1038 0.902,1039 0.925,1040 5.38,1041 2.172,1042 6.248,1043 5.986,1044 4.89,1045 5.447,1046 1.661,1047 7.052,1048 4.826,1049 6.57,1050 1.908,1051 7.794,1052 5.96,1053 4.369,1054 5.239,1055 0.57,1056 7.974,1057 4.256,1058 7.869,1059 1.797,1060 9.448,1061 5.405,1062 6.457,1063 7.698,1064 1.271,1065 11.14,1066 6.336,1067 9.211,1068 1.544,1069 11.171,1070 3.967,1071 6.804,1072 8.402,1073 0.581,1074 12.986,1075 6.641,1076 10.593,1077 1.448,1078 12.943,1079 3.74,1080 8.329,1081 10.319,1082 1.026,1083 15.69,1084 8.16,1085 12.006,1086 1.408,1087 14.749,1088 3.304,1089 9.108,1090 11.473,1091 0.515,1092 17.924,1093 8.908,1094 13.444,1095 1.336,1096 16.582,1097 3.193,1098 10.409,1099 13.171,1100 0.841,1101 20.489,1102 10.198,1103 3.393,1104 1.188,1105 18.436,1106 3.029,1107 11.408,1108 14.549,1109 0.441,1110 22.886,1111 11.17,1112 2.868,1113 12.515,1114 20.306,1115 2.919,1116 12.626,1117 16.163,1118 0.689,1119 25.413,1120 12.374,1121 2.744,1122 9.493,1123 22.19,1124 4.905,1125 13.733,1126 17.649,1127 0.373,1128 27.881,1129 13.456,1130 2.624,1131 9.086,1132 24.085,1133 3.884,1134 14.929,1135 19.235,1136 0.564,1137 30.399,1138 14.634,1139 2.404,1140 8.753,1141 25.989,1142 3.805,1143 16.087,1144 20.774,1145 0.314,1146 32.898,1147 15.769,1148 2.245,1149 6.315,1150 27.901,1151 3.689,1152 17.283,1153 22.354,1154 0.461,1155 35.418,1156 16.944,1157 2.209,1158 6.184,1159 29.82,1160 3.068,1161 18.467,1162 23.917,1163 0.264,1164 37.931,1165 18.105,1166 40239,1167 57841,1168 32.997,1169 60.859,1170 71.852,1171 71.742,1172 74.058,1173 71.435,1174 71.352,1175 92.546,1176 6.298,1177 198.93,1178 68.965,1179 5.815,1180 5.417,1181 7.003,1182 5.413,1183 5.393,1184 7.905,1185 1.776,1186 20.515,1187 5.314,1188 21.9,1189 1.466,1190 1.464,1191 1.511,1192 1.458,1193 1.456,1194 1.889,1195 0.129,1196 4.06,1197 1.407,1198 4.226,1199 4.252,1200 4.197,1201 4.163,1202 5.167,1203 4.168,1204 3.944,1205 3.979,1206 3.876,1207 3.86,1208 5.086,1209 3.859,1210 3.858,1211 3.888,1212 3.79,1213 3.807,1214 4.864,1215 3.8,1216 3.79,1217 3.86,1218 3.694,1219 3.677,1220 4.822,1221 3.676,1222 3.754,1223 3.798,1224 3.648,1225 3.608,1226 4.666,1227 3.607,1228 3.669,1229 3.743,1230 3.526,1231 3.496,1232 4.398,1233 3.492,1234 3.563,1235 3.641,1236 3.421,1237 3.386,1238 4.371,1239 3.381,1240 3.414,1241 3.502,1242 3.282,1243 3.201,1244 4.279,1245 3.209,1246 0.099,1247 0.07,1248 0.146,1249 0.089,1250 0.069,1251 4.839,1252 0.1,1253 3.417,1254 0.019,1255 7.141,1256 0.255,1257 4.369,1258 0.068,1259 3.393,1260 4.905,1261 0.916,1262 12.515,1263 3.314,1264 2.176,1265 2.156,1266 2.228,1267 2.254,1268 1.447,1269 2.248,1270 1.911,1271 1.885,1272 2.037,1273 2.028,1274 1.31,1275 2.033,1276 1.869,1277 1.842,1278 1.99,1279 1.962,1280 1.23,1281 1.974,1282 1.758,1283 1.715,1284 1.983,1285 1.944,1286 1.162,1287 1.961,1288 1.741,1289 1.678,1290 1.909,1291 1.88,1292 1.101,1293 1.893,1294 1.657,1295 1.585,1296 1.857,1297 1.845,1298 1.063,1299 1.854,1300 1.552,1301 1.478,1302 1.811,1303 1.764,1304 0.927,1305 1.783,1306 1.38,1307 1.294,1308 1.675,1309 1.632,1310 0.832,1311 1.65,1312 4.595,1314 5.894,1316 7.396,1318 9.005,1320 10.684,1322 6.15,1326 12.622,1328 10.278,1329 3.684,1330 5.504,1333 4.814,1340 56.169,1341 126.08,1342 313.414,1343 433.615,1344 515.237,1345 555.867,1346 569.867,1347 76.748,1348 8.735,1349 83.66,1350 83.66,1351 30,1352 13.053,1353 4.858,1354 3.907,1355 77.438,1356 305,1357 304,1358 0.118,1359 346.482,1360 591.45,1361 837.176,1362 105439,1364 31.597,1365 0.702,1366 0.604,1367 31.597,1368 27.189,1369 21.94,1370 0.448,1371 0.331,1372 16.042,1373 21.319,1374 15.547,1375 13.021,1376 21.94,1377 16.227,1378 19.066,1379 0.289,1380 0.186,1381 19.066,1382 12.243,1383 15.642,1384 0.18,1385 0.1,1386 15.642,1387 8.722,1388 13.252,1389 0.112,1390 0.055,1391 13.252,1392 6.456,1393 11.299,1394 0.071,1395 0.029,1396 11.299,1397 4.622,1398 0.197,1399 135.763,1400 0.174,1401 40.575,1402 0.298,1403 230,1404 500.316,1405 242.565,1406 501.999,1407 704.53,1408 474,1409 268,1410 526.7,1411 282.147,1412 548.464,1413 795.72,1414 513,1415 6.049}
{0 CHEMBL1085758,1 1.679,2 9.565,3 3.61,4 13.033,5 89.395,6 8.27,7 0.64,8 3.8,9 3.911,10 3.462,11 3.321,12 4.941,13 3.315,14 4.312,15 4.487,16 3.863,17 3.695,18 5.458,19 3.68,20 4.465,21 4.614,22 3.939,23 3.862,24 5.615,25 3.813,26 4.62,27 4.815,28 3.826,29 3.833,30 5.736,31 3.757,32 4.435,33 4.646,34 3.633,35 3.741,36 5.473,37 3.637,38 4.417,39 4.633,40 3.502,41 3.694,42 5.426,43 3.55,44 4.324,45 4.582,46 3.308,47 3.478,48 5.23,49 3.312,50 4,51 4.253,52 3.068,53 3.077,54 4.98,55 2.969,56 0.039,57 0.583,58 7.008,59 3.369,60 4.863,61 4.23,62 0.432,63 0.913,64 15.472,65 5.183,66 22.947,67 6.874,68 0.19,69 1.005,70 17.901,71 7.16,72 18.338,73 8.822,74 0.554,75 1.061,76 26.116,77 7.97,78 54.952,79 9.612,80 0.237,81 0.953,82 19.356,83 7.156,84 26.484,85 9.476,86 0.284,87 0.879,88 21.634,89 7.604,90 30.245,91 10.02,92 0.254,93 0.746,94 21.231,95 7.233,96 26.125,97 9.873,98 0.282,99 0.527,100 16.214,101 4.814,102 23.004,103 6.357,104 29,105 36,106 0.296,107 0.599,108 0.699,109 0.805,110 0.805,111 0.805,112 3.188,113 0.913,114 -3.77,115 -3.73,116 -3.55,121 42.5,126 3,144 7,145 1,146 1,148 1,153 1,155 1,161 1,163 1,176 6,179 3,180 5,182 1,187 6,189 2,192 4,200 3,203 3,206 7,214 2,216 4,219 6,227 5,232 2,234 1,239 8,243 1,251 6,256 1,258 2,268 2,269 3,281 691,282 15.137,283 15.137,284 15.137,285 15.137,286 15.137,287 13.092,288 12.144,289 8.671,290 15.675,291 12.274,292 12.274,293 12.274,294 12.274,295 12.274,296 9.157,297 10.72,298 4.074,299 13.198,300 3.643,301 1.923,302 1.355,303 0.757,304 0.757,305 0.757,306 3.864,309 1,310 1,311 1,312 1,313 467,314 3.24,317 48.926,318 136.678,321 96.29,325 1.709,326 16.939,328 1,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 49.833,338 220,339 4.702,340 3.762,341 6.872,342 4.198,343 3.269,344 4.668,345 2.208,346 11.409,347 3.046,348 4.136,349 3.364,350 6.158,351 3.716,352 2.778,353 3.751,354 0.655,355 8.912,356 2.601,357 3.923,358 2.907,359 5.815,360 3.575,361 2.64,362 3.29,363 0.13,364 7.881,365 2.447,366 3.677,367 2.677,368 5.473,369 3.243,370 2.317,371 2.998,373 6.722,374 2.136,375 3.427,376 2.298,377 5.213,378 2.977,379 2.061,380 2.74,382 6.256,383 1.832,384 3.02,385 1.978,386 4.553,387 2.514,388 1.538,389 2.268,391 4.201,392 1.495,393 2.757,394 1.585,395 4.221,396 2.262,397 1.335,398 1.865,400 3.653,401 1.225,402 2.5,403 1.516,404 3.601,405 2.003,406 1.062,407 1.5,409 2.462,410 1,411 2.356,412 1.132,413 3.488,414 2,415 1,416 1.3,418 2.275,419 0.977,420 2.298,421 1,422 3.414,423 1.85,424 0.916,425 1.188,427 2.235,428 0.821,429 1.37,430 0.733,431 2.737,432 0.963,433 0.03,434 0.038,436 0.072,437 0.026,438 1.121,439 0.328,440 2.4,441 0.649,442 -0.239,443 -0.305,445 -0.574,446 -0.188,447 0.785,448 -0.189,449 2.3,450 0.335,451 -0.575,452 -0.744,454 -1.368,455 -0.501,456 0.601,457 -0.433,458 2.268,459 0.144,460 -0.841,461 -1,463 -2,464 -0.804,465 0.5,466 -0.6,467 2,469 -1,470 -1.131,472 -2.094,473 -0.9,474 11.081,475 0.482,476 0.703,477 0.031,478 30.75,479 1.337,480 15,481 0.652,482 15.75,483 0.685,484 16.575,485 0.721,486 24.619,487 0.615,488 22.605,489 0.983,490 6.389,491 0.278,492 4.58,493 0.199,494 0.23,496 0.379,501 0.761,502 1.597,503 0.597,504 1.101,505 0.592,506 0.956,507 0.693,508 0.794,509 0.61,510 0.626,511 0.453,512 0.643,513 1.063,514 1.271,515 0.937,516 1.134,517 0.765,518 1.07,519 1.654,520 0.906,521 1.162,522 0.873,523 1.681,524 0.961,525 0.816,526 1.038,527 0.91,528 1.015,529 0.898,530 1.054,531 0.784,532 1.007,533 1.199,534 1.19,535 0.93,536 1.219,537 0.626,538 0.955,539 0.951,540 1.076,541 0.559,542 1.049,543 1.047,544 0.788,545 0.984,546 0.887,547 0.882,548 0.835,549 5,550 0.136,551 3.333,552 1.951,553 1.606,554 0.802,555 0.378,556 0.28,557 0.209,558 0.154,559 5510,560 16642,561 2.016,562 42.5,564 16,565 1,572 1.654,573 1.84,574 3.229,575 -0.729,577 1,579 1,582 67.148,583 1.679,584 3.399,585 3.967,586 4.565,587 4.565,588 4.565,589 2.736,590 3.969,591 4.492,592 3.425,593 866.436,594 7.719,595 9857.65,596 1,597 1,598 1,599 1,600 212.877,601 1.538,602 4.428,603 0.2,604 0.01,605 0.093,606 0.053,607 0.052,608 0.03,609 0.017,610 0.016,611 0.015,612 0.01,613 0.496,614 0.67,615 1,616 1.265,617 107.837,618 -0.03,619 -0.421,620 0.04,621 -0.175,622 -0.077,623 -0.071,624 0.262,625 0.364,626 0.16,627 0.266,628 0.188,629 0.238,630 -0.116,631 -0.22,632 -0.062,633 -0.16,634 0.02,635 -0.137,636 -0.32,637 0.063,638 -0.161,639 0.086,640 -0.277,641 -0.032,642 -0.085,643 -0.035,644 -0.059,645 -0.044,646 -0.032,647 -0.069,648 -0.022,649 -0.069,650 -0.172,651 -0.167,652 -0.111,653 -0.195,654 0.133,655 -0.107,656 0.093,657 -0.041,658 0.05,659 0.025,660 0.092,661 0.068,662 0.124,663 0.114,664 0.069,665 0.189,666 2.065,667 4.558,668 0.652,669 20.132,670 1.01,671 1.124,672 2.541,673 6.458,674 0.687,675 3.258,676 3.611,677 3.892,678 4.127,679 4.357,680 4.431,681 4.543,682 4.654,683 4.682,684 4.673,685 5.892,686 0.657,687 330.82,688 3.258,689 4.812,690 5.673,691 6.561,692 7.445,693 8.339,694 9.232,695 10.131,696 11.029,697 11.931,698 7.5,705 1,706 1,708 1,714 1,715 8,720 4,721 1,722 16,737 1,740 1,741 40,743 17,744 1,745 25,747 42,748 17,749 13,750 2,751 4,756 3,757 4,758 1,772 14,773 3,777 1,782 1,786 1,789 1,790 1,793 17,794 3,796 6,797 1,799 1,802 3,803 1,808 0.667,809 2,822 1,828 1,829 2,832 1,859 2,864 3,865 1,868 23,878 1,881 1,892 1,893 5,896 1,898 1,901 12.5,902 8.293,903 5,904 2.243,907 3.262,908 1.463,909 0.982,910 4.392,911 10.304,912 3.555,913 4.216,914 4.853,915 5.475,916 6.045,917 6.422,918 6.874,919 7.321,920 7.6,921 7.902,922 1,923 37,924 8.437,926 3.503,927 0.026,929 7.787,931 15.953,933 12.676,936 2.287,937 52.611,940 1,941 200.109,942 123.306,943 6.31,944 39.149,945 36.145,948 123.306,949 275.402,950 6.31,951 25.189,952 3.124,953 75.381,954 28.759,955 26.544,956 57.682,957 188.338,959 200.109,960 129.616,961 36.145,962 39.149,964 200.109,965 36.145,968 11.955,969 115.762,970 1.899,971 39.149,972 200.109,973 42.455,974 162.454,977 200.109,978 22.735,979 106.88,981 75.293,982 200.109,983 42.455,984 162.454,986 0.595,987 0.352,988 0.173,989 0.096,990 18,991 9,992 0.071,993 3,994 1,995 1.133,996 3.458,997 183.237,998 0.133,999 15,1000 98.042,1005 15.992,1006 6.316,1007 3.105,1008 0.996,1009 39.269,1010 15.151,1015 3.193,1016 2.062,1018 405.018,1019 34,1024 11.558,1028 -0.398,1031 40.411,1032 44.972,1034 0.315,1035 0.639,1036 0.745,1037 0.858,1038 0.858,1039 0.858,1040 4.796,1041 1.062,1042 5.687,1043 3.653,1044 4.29,1045 4.902,1046 2.32,1047 6.529,1048 4.151,1049 6.038,1050 1,1051 7.277,1052 2.462,1053 4.007,1054 4.844,1055 1.847,1056 7.506,1057 3.75,1058 7.368,1059 0.916,1060 8.967,1061 2.275,1062 5.922,1063 7.193,1064 3.527,1065 10.614,1066 5.646,1067 8.738,1068 0.03,1069 10.712,1070 2.235,1071 6.431,1072 7.967,1073 3.656,1074 12.415,1075 6.037,1076 10.139,1077 -0.239,1078 12.494,1079 0.072,1080 7.858,1081 9.819,1082 4.955,1083 15.065,1084 7.443,1085 11.564,1086 -0.575,1087 14.299,1088 -0.574,1089 8.719,1090 10.989,1091 5.37,1092 17.217,1093 8.197,1094 13.009,1095 -0.841,1096 16.124,1097 -1.368,1098 9.967,1099 12.644,1100 6.458,1101 19.716,1102 9.408,1103 3.269,1104 -1,1105 17.963,1106 -2,1107 10.989,1108 14.009,1109 7.028,1110 22.024,1111 10.338,1112 2.778,1113 11.409,1114 19.814,1115 -2.094,1116 12.173,1117 15.586,1118 7.994,1119 24.473,1120 11.472,1121 2.64,1122 8.912,1123 21.675,1124 4.668,1125 13.272,1126 17.043,1127 8.654,1128 26.849,1129 12.487,1130 2.317,1131 7.881,1132 23.545,1133 3.751,1134 14.438,1135 18.591,1136 9.549,1137 29.284,1138 13.594,1139 2.061,1140 6.722,1141 25.422,1142 3.29,1143 15.574,1144 20.091,1145 10.263,1146 31.69,1147 14.653,1148 1.538,1149 6.256,1150 27.305,1151 2.998,1152 16.738,1153 21.63,1154 11.116,1155 34.121,1156 15.752,1157 1.335,1158 4.201,1159 29.194,1160 2.74,1161 17.893,1162 23.15,1163 11.862,1164 36.542,1165 16.833,1166 5468,1167 9602,1168 16.126,1169 27.495,1170 38.412,1171 39.571,1172 40.017,1173 38.098,1174 37.892,1175 51.212,1176 5.986,1177 112.153,1178 35.209,1179 5.525,1180 5.762,1181 6.4,1182 5.26,1183 5.269,1184 7.668,1185 3.912,1186 18.889,1187 5.046,1188 13.569,1189 1.536,1190 1.583,1191 1.601,1192 1.524,1193 1.516,1194 2.048,1195 0.239,1196 4.486,1197 1.408,1198 4.18,1199 4.226,1200 4.207,1201 4.034,1202 7.433,1203 4.055,1204 3.868,1205 3.89,1206 3.846,1207 3.781,1208 5.078,1209 3.784,1210 3.617,1211 3.682,1212 3.59,1213 3.353,1214 4.806,1215 3.384,1216 3.433,1217 3.492,1218 3.486,1219 3.284,1220 4.536,1221 3.289,1222 3.111,1223 3.188,1224 3.176,1225 2.931,1226 4.275,1227 2.924,1228 3.017,1229 3.036,1230 2.907,1231 2.755,1232 4.159,1233 2.779,1234 2.874,1235 3.009,1236 2.797,1237 2.735,1238 3.996,1239 2.715,1240 2.854,1241 2.925,1242 2.687,1243 2.663,1244 3.753,1245 2.637,1246 0.188,1247 0.15,1248 0.275,1249 0.168,1250 0.131,1251 4.702,1252 0.187,1253 3.762,1254 0.088,1255 6.872,1256 0.456,1257 4.198,1258 0.122,1259 3.269,1260 4.668,1261 2.208,1262 11.409,1263 3.046,1264 1.916,1265 1.893,1266 2.01,1267 2.065,1268 1.13,1269 2.047,1270 1.902,1271 1.864,1272 1.975,1273 2.009,1274 1.095,1275 2.007,1276 1.535,1277 1.476,1278 1.784,1279 1.825,1280 0.836,1281 1.81,1282 1.471,1283 1.398,1284 1.684,1285 1.69,1286 0.775,1287 1.694,1288 1.126,1289 1.053,1290 1.417,1291 1.338,1292 0.469,1293 1.357,1294 0.934,1295 0.856,1296 1.375,1297 1.239,1298 0.458,1299 1.308,1300 0.886,1301 0.821,1302 1.181,1303 1.206,1304 0.218,1305 1.148,1306 0.877,1307 0.804,1308 1.059,1309 1.062,1310 0.168,1311 1.107,1312 3.932,1314 5.273,1315 2.398,1316 6.806,1317 4.844,1318 8.422,1319 7.05,1320 10.083,1322 5.279,1323 6.229,1330 5.229,1333 1.385,1340 26.272,1341 67.148,1342 135.941,1343 158.696,1344 182.612,1345 182.612,1346 182.612,1347 31.403,1348 7.042,1349 37.83,1350 37.83,1351 17,1352 12.453,1353 4.17,1354 3.322,1355 37.032,1356 81,1357 77,1358 0.23,1359 166.413,1360 278.87,1361 397.807,1362 9702,1363 2.5,1364 16.56,1365 0.72,1366 0.607,1367 17.06,1368 13.964,1369 10.969,1370 0.439,1371 0.304,1372 7.123,1373 10.202,1374 6.824,1375 5.735,1376 11.258,1377 7.607,1378 10.232,1379 0.284,1380 0.165,1381 10.603,1382 5.946,1383 8.713,1384 0.182,1385 0.085,1386 9.071,1387 4.068,1388 6.704,1389 0.11,1390 0.044,1391 6.997,1392 2.693,1393 5.489,1394 0.071,1395 0.024,1396 5.762,1397 1.856,1398 0.359,1399 72.288,1400 0.249,1401 22.565,1402 0.63,1403 122,1404 369.298,1405 151.889,1406 384.888,1407 519.14,1408 358,1409 145,1410 369.293,1411 171.211,1412 383.332,1413 560.89,1414 357,1415 4.9}
{0 CHEMBL1085759,1 1.513,2 9.565,3 3.297,4 10.868,5 89.43,6 7.219,7 0.64,8 3.856,9 3.978,10 3.407,11 3.353,12 4.959,13 3.341,14 4.376,15 4.57,16 3.776,17 3.724,18 5.456,19 3.701,20 4.522,21 4.687,22 3.826,23 3.884,24 5.607,25 3.837,26 4.712,27 4.925,28 3.692,29 3.897,30 5.749,31 3.808,32 4.583,33 4.823,34 3.544,35 3.816,36 5.527,37 3.698,38 4.499,39 4.732,40 3.378,41 3.742,42 5.423,43 3.593,44 4.478,45 4.766,46 3.164,47 3.564,48 5.274,49 3.381,50 4.172,51 4.452,52 2.984,53 3.196,54 5.048,55 3.06,56 0.002,57 0.632,58 9.099,59 3.717,60 6.025,61 5.055,62 0.373,63 0.992,64 17.346,65 5.682,66 24.746,67 8.155,68 0.12,69 1.125,70 19.262,71 7.325,72 18.479,73 9.891,74 0.382,75 1.224,76 25.665,77 8.556,78 50.491,79 11.592,80 0.193,81 1.125,82 21.972,83 7.978,84 27.748,85 11.465,86 0.18,87 1.006,88 19.987,89 8.019,90 25.944,91 11.286,92 0.18,93 0.9,94 20.876,95 7.965,96 25.041,97 11.564,98 0.216,99 0.649,100 15.671,101 5.38,102 22.128,103 7.724,104 29,105 36,106 0.263,107 0.573,108 0.705,109 0.801,110 0.801,111 0.801,112 3.188,113 0.905,114 -3.5,115 -3.48,116 -3.32,121 41.9,122 1,126 3,144 7,145 1,146 1,148 1,153 1,154 1,161 1,163 1,176 6,179 3,180 5,182 1,187 6,189 2,192 4,200 3,203 3,206 7,214 2,216 4,219 6,227 5,232 2,234 1,239 8,243 1,251 6,256 1,258 2,268 2,269 3,281 691,282 15.137,283 15.137,284 15.137,285 15.137,286 15.137,287 13.092,288 12.969,289 8.671,290 15.557,291 12.274,292 12.274,293 12.274,294 12.274,295 12.274,296 9.157,297 11.55,298 4.074,299 12.943,300 3.913,301 2.126,302 1.371,303 0.814,304 0.814,305 0.814,306 3.864,310 1,311 1,312 1,313 467,314 3.24,317 48.926,318 136.678,321 96.29,325 1.709,326 14.204,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 49.5,338 220,339 4.702,340 3.762,341 6.872,342 4.207,343 3.269,344 4.668,345 2.208,346 11.409,347 3.07,348 4.136,349 3.309,350 6.158,351 3.726,352 2.778,353 3.751,354 0.655,355 8.912,356 2.644,357 3.923,358 2.8,359 5.815,360 3.589,361 2.64,362 3.29,363 0.13,364 7.881,365 2.469,366 3.677,367 2.598,368 5.473,369 3.269,370 2.317,371 2.998,373 6.722,374 2.2,375 3.427,376 2.219,377 5.213,378 3.015,379 2.061,380 2.74,382 6.256,383 1.961,384 3.02,385 1.977,386 4.553,387 2.515,388 1.538,389 2.268,391 4.201,392 1.498,393 2.757,394 1.562,395 4.221,396 2.28,397 1.335,398 1.865,400 3.653,401 1.257,402 2.5,403 1.437,404 3.601,405 2.011,406 1.062,407 1.5,409 2.462,410 1,411 2.356,412 1.079,413 3.488,414 2,415 1,416 1.3,418 2.275,419 0.992,420 2.298,421 1,422 3.414,423 1.887,424 0.916,425 1.188,427 2.235,428 0.884,429 1.37,430 0.718,431 2.737,432 0.997,433 0.03,434 0.038,436 0.072,437 0.029,438 1.121,439 0.137,440 2.4,441 0.734,442 -0.239,443 -0.305,445 -0.574,446 -0.23,447 0.785,448 -0.236,449 2.3,450 0.386,451 -0.575,452 -0.744,454 -1.368,455 -0.55,456 0.601,457 -0.46,458 2.268,459 0.146,460 -0.841,461 -1,463 -2,464 -0.818,465 0.5,466 -0.6,467 2,469 -1,470 -1.131,472 -2.094,473 -0.9,474 10.867,475 0.472,476 0.703,477 0.031,478 30.5,479 1.326,480 15,481 0.652,482 15.5,483 0.674,484 16.674,485 0.725,486 24.833,487 0.578,488 22.507,489 0.979,490 6.359,491 0.276,492 4.61,493 0.2,494 0.215,496 0.387,501 0.806,502 1.592,503 0.791,504 1.23,505 0.624,506 1.04,507 0.76,508 0.826,509 0.736,510 0.677,511 0.446,512 0.678,513 1.129,514 1.245,515 1.038,516 1.177,517 0.75,518 1.1,519 1.669,520 0.992,521 1.234,522 0.951,523 1.66,524 1.026,525 0.813,526 0.996,527 1.04,528 1.03,529 0.844,530 1.053,531 0.607,532 1.059,533 1.09,534 1.211,535 0.828,536 1.226,537 0.443,538 0.931,539 0.82,540 1.048,541 0.444,542 1.009,543 0.835,544 0.843,545 0.796,546 0.903,547 0.723,548 0.867,549 5,550 0.136,551 3.333,552 1.951,553 1.606,554 0.802,555 0.378,556 0.28,557 0.209,558 0.154,559 5510,560 13834,561 2.016,562 46.5,564 16,565 1,568 3,572 1.654,573 1.84,574 3.229,575 -0.772,576 1,577 1,579 1,582 65.077,583 1.513,584 3.3,585 4.056,586 4.612,587 4.612,588 4.612,589 2.736,590 3.969,591 4.492,592 3.425,593 866.436,594 7.719,595 9857.65,597 1,599 1,600 233.329,601 1.538,602 4.428,603 0.2,604 0.01,605 0.093,606 0.053,607 0.052,608 0.03,609 0.017,610 0.016,611 0.015,612 0.01,613 0.496,614 0.67,615 1,616 1.265,617 107.837,618 0.002,619 -0.4,620 0.079,621 -0.184,622 -0.072,623 -0.068,624 0.294,625 0.319,626 0.225,627 0.275,628 0.215,629 0.252,630 -0.119,631 -0.145,632 -0.115,633 -0.163,634 0.026,635 -0.137,636 -0.31,637 -0.009,638 -0.23,639 0.017,640 -0.247,641 -0.083,642 -0.087,643 0.011,644 -0.098,645 -0.041,646 -0.014,647 -0.062,648 0.035,649 -0.095,650 -0.169,651 -0.181,652 -0.084,653 -0.203,654 0.183,655 -0.08,656 0.148,657 -0.037,658 0.066,659 0.034,660 0.187,661 0.014,662 0.226,663 0.063,664 0.115,665 0.13,666 2.048,667 4.572,668 0.652,669 20.132,670 0.999,671 1.127,672 2.273,673 5.168,674 0.66,675 3.258,676 3.611,677 3.892,678 4.127,679 4.357,680 4.431,681 4.543,682 4.654,683 4.682,684 4.673,685 5.892,686 0.627,687 310.41,688 3.258,689 4.812,690 5.673,691 6.561,692 7.445,693 8.339,694 9.232,695 10.131,696 11.029,697 11.931,698 7,705 1,706 1,708 1,714 1,715 8,720 4,721 1,722 16,737 1,741 43,743 17,744 1,745 25,747 45,748 18,749 13,750 2,751 4,756 3,757 4,763 1,772 14,773 4,777 1,782 1,786 1,789 1,790 1,793 20,794 3,796 5,799 1,802 3,803 1,808 0.667,809 2,822 1,828 1,829 2,832 1,859 2,864 4,868 23,878 1,881 1,893 4.7,896 1,898 1,901 12.5,902 9.15,903 5,904 2.457,907 3.262,908 1.463,909 0.978,910 4.199,911 10.304,912 3.555,913 4.216,914 4.853,915 5.475,916 6.045,917 6.422,918 6.874,919 7.321,920 7.6,921 7.902,922 1,923 37,924 8.453,926 3.479,927 0.026,929 7.696,931 16.167,933 12.841,936 2.196,937 50.5,940 1,941 235.422,942 131.816,943 6.31,945 36.145,948 131.816,949 271.567,950 6.31,951 34.014,952 3.124,953 75.381,954 28.759,955 23.472,956 21.29,957 223.651,959 235.422,960 138.126,961 36.145,964 235.422,965 36.145,968 17.708,969 118.519,970 1.899,972 235.422,973 42.455,974 131.816,977 235.422,978 22.42,979 115.705,981 36.145,982 235.422,983 42.455,984 131.816,986 0.595,987 0.352,988 0.173,989 0.096,990 18,991 9,992 0.067,993 3,994 1,995 1.133,996 3.458,997 183.237,998 0.133,999 15,1000 96.042,1005 15.716,1006 6.144,1007 3.002,1008 1.128,1009 39.269,1010 15.886,1015 3.89,1016 2.147,1018 409.693,1019 34,1024 11.572,1028 -0.381,1031 42.971,1032 48.443,1034 0.279,1035 0.608,1036 0.747,1037 0.85,1038 0.85,1039 0.85,1040 4.796,1041 1.062,1042 5.687,1043 3.653,1044 4.29,1045 4.902,1046 2.32,1047 6.529,1048 4.187,1049 6.038,1050 1,1051 7.277,1052 2.462,1053 4.007,1054 4.844,1055 1.847,1056 7.506,1057 3.824,1058 7.368,1059 0.916,1060 8.967,1061 2.275,1062 5.922,1063 7.193,1064 3.527,1065 10.614,1066 5.701,1067 8.738,1068 0.03,1069 10.712,1070 2.235,1071 6.431,1072 7.967,1073 3.656,1074 12.415,1075 6.122,1076 10.139,1077 -0.239,1078 12.494,1079 0.072,1080 7.858,1081 9.819,1082 4.955,1083 15.065,1084 7.514,1085 11.564,1086 -0.575,1087 14.299,1088 -0.574,1089 8.719,1090 10.989,1091 5.37,1092 17.217,1093 8.289,1094 13.009,1095 -0.841,1096 16.124,1097 -1.368,1098 9.967,1099 12.644,1100 6.458,1101 19.716,1102 9.495,1103 3.269,1104 -1,1105 17.963,1106 -2,1107 10.989,1108 14.009,1109 7.028,1110 22.024,1111 10.438,1112 2.778,1113 11.409,1114 19.814,1115 -2.094,1116 12.173,1117 15.586,1118 7.994,1119 24.473,1120 11.572,1121 2.64,1122 8.912,1123 21.675,1124 4.668,1125 13.272,1126 17.043,1127 8.654,1128 26.849,1129 12.597,1130 2.317,1131 7.881,1132 23.545,1133 3.751,1134 14.438,1135 18.591,1136 9.549,1137 29.284,1138 13.706,1139 2.061,1140 6.722,1141 25.422,1142 3.29,1143 15.574,1144 20.091,1145 10.263,1146 31.69,1147 14.773,1148 1.538,1149 6.256,1150 27.305,1151 2.998,1152 16.738,1153 21.63,1154 11.116,1155 34.121,1156 15.877,1157 1.335,1158 4.201,1159 29.194,1160 2.74,1161 17.893,1162 23.15,1163 11.862,1164 36.542,1165 16.965,1166 5468,1167 8768,1168 16.126,1169 28.398,1170 38.412,1171 39.288,1172 40.017,1173 37.96,1174 37.892,1175 51.212,1176 5.986,1177 112.153,1178 36.009,1179 5.525,1180 5.762,1181 6.4,1182 5.269,1183 5.269,1184 7.668,1185 3.912,1186 18.889,1187 5.07,1188 13.569,1189 1.536,1190 1.572,1191 1.601,1192 1.518,1193 1.516,1194 2.048,1195 0.239,1196 4.486,1197 1.44,1198 4.186,1199 4.235,1200 4.154,1201 4.039,1202 7.433,1203 4.061,1204 3.871,1205 3.893,1206 3.818,1207 3.785,1208 4.995,1209 3.788,1210 3.619,1211 3.684,1212 3.532,1213 3.363,1214 4.775,1215 3.39,1216 3.467,1217 3.535,1218 3.356,1219 3.298,1220 4.338,1221 3.308,1222 3.184,1223 3.255,1224 3.031,1225 3.041,1226 4.217,1227 3.027,1228 3.047,1229 3.129,1230 2.901,1231 2.813,1232 4.011,1233 2.809,1234 2.983,1235 3.026,1236 2.73,1237 2.735,1238 3.94,1239 2.719,1240 2.874,1241 3.009,1242 2.687,1243 2.708,1244 3.675,1245 2.715,1246 0.188,1247 0.15,1248 0.275,1249 0.168,1250 0.131,1251 4.702,1252 0.187,1253 3.762,1254 0.088,1255 6.872,1256 0.456,1257 4.207,1258 0.123,1259 3.269,1260 4.668,1261 2.208,1262 11.409,1263 3.07,1264 1.934,1265 1.893,1266 2.037,1267 2.094,1268 1.163,1269 2.079,1270 1.914,1271 1.89,1272 2.009,1273 2.012,1274 1.124,1275 2.011,1276 1.54,1277 1.482,1278 1.785,1279 1.827,1280 0.838,1281 1.812,1282 1.482,1283 1.407,1284 1.712,1285 1.707,1286 0.804,1287 1.713,1288 1.158,1289 1.082,1290 1.514,1291 1.38,1292 0.573,1293 1.431,1294 1.126,1295 1.049,1296 1.417,1297 1.337,1298 0.469,1299 1.353,1300 0.934,1301 0.838,1302 1.366,1303 1.239,1304 0.455,1305 1.308,1306 0.886,1307 0.821,1308 1.181,1309 1.2,1310 0.218,1311 1.144,1312 3.932,1314 5.273,1315 2.398,1316 6.806,1317 4.844,1318 8.422,1319 7.05,1320 10.083,1322 7.447,1330 5.25,1333 1.4,1340 26.972,1341 65.077,1342 141.903,1343 174.394,1344 198.31,1345 198.31,1346 198.31,1347 29.677,1348 7.042,1349 37.83,1350 37.83,1351 17,1352 12.453,1353 4.17,1354 3.322,1355 37.032,1356 81,1357 77,1358 0.23,1359 167.672,1360 280.96,1361 400.88,1362 9702,1364 16.56,1365 0.72,1366 0.601,1367 16.56,1368 13.83,1369 10.969,1370 0.439,1371 0.302,1372 7.404,1373 10.476,1374 7.07,1375 5.983,1376 10.969,1377 7.54,1378 10.232,1379 0.284,1380 0.163,1381 10.232,1382 5.877,1383 8.713,1384 0.182,1385 0.084,1386 8.713,1387 4.013,1388 6.704,1389 0.11,1390 0.044,1391 6.704,1392 2.656,1393 5.489,1394 0.071,1395 0.024,1396 5.489,1397 1.824,1398 0.359,1399 69.113,1400 0.249,1401 22.565,1402 0.63,1403 122,1404 343.094,1405 135.719,1406 331.357,1407 460.1,1408 310,1409 145,1410 352.43,1411 159.501,1412 357.841,1413 521.17,1414 333,1415 5.886}
{0 CHEMBL1085780,1 1.381,2 8.737,3 3.127,4 9.777,5 79.757,6 6.875,7 0.571,8 3.702,9 3.844,10 3.22,11 3.232,12 4.7,13 3.199,14 4.245,15 4.45,16 3.515,17 3.604,18 5.19,19 3.533,20 4.471,21 4.735,22 3.41,23 3.644,24 5.28,25 3.52,26 4.378,27 4.668,28 3.281,29 3.47,30 5.224,31 3.358,32 4.201,33 4.456,34 3.197,35 3.428,36 5.068,37 3.322,38 4.164,39 4.417,40 3.106,41 3.392,42 5.014,43 3.269,44 4.112,45 4.386,46 2.934,47 3.296,48 4.892,49 3.142,50 4.02,51 4.321,52 2.771,53 3.144,54 4.721,55 2.98,56 0.035,57 0.58,58 8.32,59 3.126,60 5.805,61 4.619,62 0.213,63 0.924,64 15.322,65 5.259,66 16.144,67 7.821,68 0.152,69 1.029,70 19.916,71 6.457,72 16.525,73 10.092,74 0.255,75 0.919,76 18.728,77 5.198,78 22.706,79 8.427,80 0.156,81 0.803,82 15.169,83 4.63,84 17.029,85 7.287,86 0.137,87 0.765,88 14.539,89 4.691,90 15.471,91 7.267,92 0.106,93 0.688,94 13.87,95 4.879,96 14.175,97 7.421,98 0.104,99 0.596,100 12.874,101 4.463,102 11.99,103 6.84,105 27,106 0.251,107 0.583,108 0.731,109 0.787,110 0.801,111 0.801,112 3.009,113 0.968,114 -4.53,115 -4.46,116 -4.2,121 40.5,123 2,127 3,144 6,145 1,147 1,149 1,152 1,176 7,179 3,180 4,183 1,185 2,187 6,197 2,200 3,206 6,209 2,211 2,214 1,219 2,224 1,227 2,232 4,237 2,239 4,244 5,251 1,256 4,264 2,269 2,277 4,281 434,282 13.345,283 13.345,284 13.345,285 13.345,286 13.345,287 11.894,288 19.391,289 8.298,290 13.637,291 10.421,292 10.421,293 10.421,294 10.421,295 10.421,296 8.309,297 31.669,298 3.992,299 10.916,300 3.829,301 2.01,302 1.196,303 0.885,304 0.811,305 0.811,306 3.695,310 1,311 1,312 1,313 363,314 2,317 50.312,318 125.227,325 1.357,326 8.706,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 40,338 166,339 4.175,340 3.132,341 6.171,342 3.814,343 2.901,344 3.73,345 0.8,346 9.181,347 2.651,348 3.899,349 2.804,350 5.407,351 3.533,352 2.552,353 3.442,354 0.657,355 7.139,356 2.508,357 3.601,358 2.489,359 5.238,360 3.293,361 2.341,362 2.824,364 6.664,365 2.218,366 2.983,367 1.846,368 4.407,369 2.694,370 1.747,371 2.117,373 4.401,374 1.652,375 2.89,376 1.583,377 3.64,378 2.48,379 1.487,380 2.012,382 3.145,383 1.476,384 2.642,385 1.265,386 3.501,387 2.175,388 1.227,389 1.696,391 2.665,392 1.16,393 2.5,394 1,395 3.251,396 2,397 1,398 1.5,400 2.136,401 1,402 1.923,403 0.895,404 3.247,405 1.741,406 0.795,407 0.88,409 1.916,410 0.75,411 1.819,412 0.784,413 3.067,414 1.591,415 0.618,416 0.708,418 1.395,419 0.6,420 1.618,421 0.744,422 3,423 1.534,424 0.598,425 0.618,427 1.372,428 0.558,429 0.924,430 -0.188,431 2.305,432 0.553,433 -0.408,434 -0.512,436 -0.984,437 -0.39,438 0.669,439 -0.572,440 2.262,441 0.232,442 -0.702,443 -0.882,445 -1.676,446 -0.653,447 0.556,448 -0.775,449 1.647,450 0.078,451 -0.875,452 -1.174,454 -2.247,455 -0.834,456 0.5,457 -1,458 1.555,460 -1,461 -1.5,463 -2.347,464 -1,465 -0.08,466 -1.229,467 1.47,468 -0.37,469 -1.335,470 -1.582,472 -3.138,473 -1.275,474 9.1,475 0.479,476 0.256,477 0.013,478 25.75,479 1.355,480 13,481 0.684,482 12.75,483 0.671,484 12.272,485 0.646,486 20.3,487 0.549,488 14.696,489 0.773,490 4.964,491 0.261,492 4.451,493 0.234,496 0.209,501 0.975,502 1.489,503 0.857,504 1.152,505 0.793,506 1.018,507 0.975,508 1.028,509 1.025,510 1.043,511 0.77,512 1.04,513 1.085,514 1.228,515 1.008,516 1.099,517 0.953,518 1.054,519 1.43,520 0.868,521 1.001,522 0.786,523 1.543,524 0.836,525 1.504,526 0.981,527 1.121,528 0.918,529 1.482,530 0.967,531 1.355,532 1.03,533 1.161,534 1.027,535 1.248,536 1.065,537 0.923,538 1.016,539 1.025,540 1.055,541 0.88,542 1.052,543 0.811,544 0.838,545 0.85,546 0.857,547 0.728,548 0.858,549 2.5,550 0.015,551 1.333,552 0.34,553 0.583,554 0.306,555 0.082,556 0.152,557 0.071,558 0.014,559 3720,560 7786,561 2.178,562 48.6,564 12,566 1,567 1,569 4,572 1.598,573 2.151,574 3.158,575 -0.301,577 1,579 1,582 51.088,583 1.381,584 3.199,585 4.013,586 4.324,587 4.399,588 4.399,589 2.55,590 3.616,591 4.222,592 3.275,593 560.103,594 7.166,595 5639.66,596 1,597 1,599 1,600 192.75,601 0.742,602 4.225,603 0.119,604 0.003,605 0.049,606 0.015,607 0.029,608 0.016,609 0.005,610 0.011,611 0.006,612 0.001,613 0.254,614 0.5,615 1,617 83.583,618 0.009,619 -0.277,620 0.072,621 -0.092,622 0.093,623 -0.018,624 0.239,625 0.112,626 -0.055,627 -0.066,628 0.202,629 -0.088,630 -0.043,631 -0.247,632 -0.03,633 -0.14,634 0.018,635 -0.093,636 -0.034,637 0.127,638 0.023,639 0.097,640 -0.183,641 0.072,642 -0.274,643 0.062,644 -0.131,645 0.019,646 -0.27,647 -0.03,648 -0.245,649 -0.005,650 -0.185,651 -0.069,652 -0.199,653 -0.112,654 -0.07,655 -0.076,656 -0.063,657 -0.068,658 0.03,659 -0.065,660 0.009,661 0.042,662 0.125,663 0.119,664 0.13,665 0.132,666 0.824,667 1.574,668 0.895,669 13.729,670 0.989,671 1.132,672 3.3,673 10.891,674 0.658,675 3.091,676 3.332,677 3.555,678 3.761,679 3.871,680 3.807,681 3.871,682 3.912,683 3.932,684 3.892,685 5.325,686 0.615,687 254.37,688 3.091,689 4.575,690 5.389,691 6.221,692 7.048,693 7.885,694 8.718,695 9.557,696 10.392,697 11.232,698 10.8,703 1,704 1,708 2,715 7,716 2,720 3,722 12,734 1,736 1,741 37,743 12,744 1,745 21,747 39,748 15,749 10,750 1,751 5,756 3,757 3,767 2,770 2,772 10,773 5,790 1,793 18,794 4,795 1,796 4,802 4,808 1,823 1,825 1,828 1,829 2,859 3,868 19,876 5,877 1,881 1,901 8.833,902 6.433,903 4.278,904 2.335,907 2.171,908 1.339,909 0.997,910 3.823,911 8.566,912 3.332,913 3.829,914 4.317,915 4.798,916 5.254,917 5.15,918 5.398,919 5.633,920 5.948,921 6.173,922 0.833,923 23,924 7.01,926 2.876,927 0.026,929 7.447,931 13.85,933 11.234,936 1.947,937 37,938 0.002,941 200.109,942 84.704,943 54.706,948 84.704,949 200.109,950 54.706,952 11.386,953 56.857,954 63.353,955 15.357,956 4.227,957 188.338,959 200.109,960 139.41,964 153.024,965 47.084,968 22.333,969 65.495,970 51.582,972 200.109,973 54.706,974 84.704,977 200.109,978 18.799,979 69.029,980 18.011,981 33.571,982 200.109,983 54.706,984 84.704,986 0.558,987 0.318,988 0.173,989 0.086,990 13,991 4,992 0.103,993 4,995 1,996 3.361,997 132.731,999 17,1000 72.711,1005 12.277,1006 5.917,1007 3.165,1009 54.706,1010 14.084,1011 8.925,1015 2.986,1017 18.011,1018 339.519,1019 27,1031 36.592,1032 41.9,1034 0.265,1035 0.614,1036 0.77,1037 0.83,1038 0.844,1039 0.844,1040 4.511,1041 0.795,1042 5.303,1043 2.136,1044 4.007,1045 4.511,1046 1.038,1047 5.999,1048 3.912,1049 5.64,1050 0.618,1051 6.777,1052 1.916,1053 3.219,1054 3.861,1055 0.325,1056 6.629,1057 3.026,1058 6.882,1059 0.598,1060 8.35,1061 1.395,1062 5.476,1063 6.539,1064 0.607,1065 9.711,1066 5.265,1067 8.16,1068 -0.408,1069 9.987,1070 1.372,1071 5.602,1072 6.732,1073 0.268,1074 11.246,1075 5.27,1076 9.47,1077 -0.702,1078 11.667,1079 -0.984,1080 7.209,1081 8.83,1082 0.359,1083 13.765,1084 6.863,1085 10.803,1086 -0.875,1087 13.376,1088 -1.676,1089 7.775,1090 9.437,1091 0.188,1092 15.669,1093 7.304,1094 12.151,1095 -1,1096 15.106,1097 -2.247,1098 9.086,1099 11.245,1100 0.214,1101 17.992,1102 8.591,1103 2.901,1104 -1.335,1105 16.852,1106 -2.347,1107 9.881,1108 12.091,1109 0.125,1110 20.062,1111 9.261,1112 2.552,1113 9.181,1114 18.61,1115 -3.138,1116 11.051,1117 13.727,1118 0.129,1119 22.314,1120 10.392,1121 2.341,1122 7.139,1123 20.376,1124 3.73,1125 11.966,1126 14.723,1127 0.082,1128 24.46,1129 11.188,1130 1.747,1131 6.664,1132 22.15,1133 3.442,1134 13.07,1135 16.248,1136 0.079,1137 26.686,1138 12.237,1139 1.487,1140 4.401,1141 23.93,1142 2.824,1143 14.05,1144 17.344,1145 0.054,1146 28.868,1147 13.104,1148 1.227,1149 3.145,1150 25.715,1151 2.117,1152 15.124,1153 18.796,1154 0.048,1155 31.086,1156 14.11,1157 1,1158 2.665,1159 27.505,1160 2.012,1161 16.138,1162 19.96,1163 0.035,1164 33.285,1165 15.016,1166 3533,1167 5208,1168 14.792,1169 24.353,1170 30.388,1171 30.533,1172 30.429,1173 30.569,1174 30.535,1175 39.056,1176 2.915,1177 80.028,1178 29.148,1179 5.073,1180 5.132,1181 5.973,1182 4.888,1183 4.901,1184 6.73,1185 1.457,1186 15.411,1187 4.651,1189 1.447,1190 1.454,1191 1.449,1192 1.456,1193 1.454,1194 1.86,1195 0.139,1196 3.811,1197 1.388,1198 3.961,1199 4.016,1200 3.897,1201 3.861,1202 4.999,1203 3.857,1204 3.874,1205 3.92,1206 3.799,1207 3.726,1208 4.749,1209 3.741,1210 3.694,1211 3.757,1212 3.579,1213 3.545,1214 4.274,1215 3.547,1216 3.254,1217 3.339,1218 3.117,1219 3.065,1220 4.14,1221 3.064,1222 2.872,1223 2.979,1224 2.745,1225 2.735,1226 3.798,1227 2.715,1228 2.869,1229 2.956,1230 2.687,1231 2.672,1232 3.674,1233 2.686,1234 2.854,1235 2.925,1236 2.627,1237 2.671,1238 3.627,1239 2.635,1240 2.735,1241 2.817,1242 2.583,1243 2.521,1244 3.265,1245 2.538,1246 0.199,1247 0.149,1248 0.294,1249 0.182,1250 0.138,1251 4.175,1252 0.178,1253 3.132,1254 0.038,1255 6.171,1256 0.437,1257 3.814,1258 0.126,1259 2.901,1260 3.73,1261 0.8,1262 9.181,1263 2.651,1264 1.915,1265 1.883,1266 2.043,1267 2.028,1268 1.211,1269 2.029,1270 1.754,1271 1.701,1272 1.86,1273 1.941,1274 1.155,1275 1.925,1276 1.577,1277 1.507,1278 1.853,1279 1.751,1280 0.998,1281 1.793,1282 1.392,1283 1.312,1284 1.638,1285 1.632,1286 0.792,1287 1.64,1288 1.212,1289 1.137,1290 1.479,1291 1.441,1292 0.608,1293 1.459,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 0.693,1301 0.613,1302 0.969,1303 0.941,1304 0.094,1305 0.954,1306 0.592,1307 0.517,1308 0.883,1309 0.84,1310 0.025,1311 0.844,1312 3.761,1314 5.017,1315 2.398,1316 6.466,1317 4.443,1318 7.998,1319 6.293,1320 9.572,1328 5.414,1329 3.347,1333 2.244,1340 22.773,1341 51.088,1342 118.369,1343 148.485,1344 159.995,1345 162.75,1346 162.75,1347 18.688,1348 6.395,1349 41.05,1350 41.05,1351 17,1352 11.798,1353 3.7,1354 2.807,1355 27.945,1356 60,1357 54,1358 0.225,1359 142.088,1360 237.34,1361 338.455,1362 4673,1364 12.916,1365 0.68,1366 0.575,1367 12.916,1368 10.919,1369 9.416,1370 0.448,1371 0.323,1372 6.695,1373 9.122,1374 6.573,1375 5.466,1376 9.416,1377 6.775,1378 7.919,1379 0.293,1380 0.177,1381 7.919,1382 4.775,1383 6.598,1384 0.194,1385 0.098,1386 6.598,1387 3.348,1388 5.399,1389 0.129,1390 0.055,1391 5.399,1392 2.305,1393 3.97,1394 0.084,1395 0.027,1396 3.97,1397 1.264,1398 0.354,1399 58.386,1400 0.26,1401 19.339,1402 0.609,1403 96,1404 235.268,1405 104.132,1406 233.869,1407 329.59,1408 222,1409 109,1410 249.789,1411 117.659,1412 253.972,1413 368.63,1414 240,1415 5.06}
{0 CHEMBL1085781,1 1.52,2 9.3,3 2.354,4 5.539,5 81.291,6 7.115,7 0.545,8 3.742,9 3.874,10 3.284,11 3.229,12 4.773,13 3.216,14 4.285,15 4.478,16 3.566,17 3.579,18 5.277,19 3.537,20 4.485,21 4.724,22 3.524,23 3.667,24 5.356,25 3.576,26 4.442,27 4.714,28 3.353,29 3.557,30 5.296,31 3.443,32 4.343,33 4.614,34 3.318,35 3.483,36 5.235,37 3.38,38 4.205,39 4.446,40 3.219,41 3.422,42 5.096,43 3.322,44 4.178,45 4.437,46 3.082,47 3.329,48 5.027,49 3.202,50 4.086,51 4.375,52 2.864,53 3.178,54 4.825,55 3.034,56 0.016,57 0.587,58 8.35,59 3.164,60 5.354,61 4.511,62 0.265,63 0.908,64 16.001,65 5.128,66 19.727,67 7.306,68 0.256,69 1.03,70 20.219,71 6.177,72 21.064,73 9.485,74 0.25,75 0.975,76 19.686,77 5.654,78 23.234,79 9.044,80 0.29,81 0.864,82 17.949,83 5.203,84 25.706,85 8.302,86 0.138,87 0.78,88 15.015,89 4.802,90 16.869,91 7.325,92 0.179,93 0.709,94 14.988,95 4.968,96 18.509,97 7.507,98 0.15,99 0.611,100 14.089,101 4.588,102 15.07,103 6.96,105 28,106 0.275,107 0.596,108 0.739,109 0.794,110 0.807,111 0.807,112 3.057,113 0.934,114 -3.74,115 -3.71,116 -3.53,121 39.5,127 5,144 6,145 1,147 1,149 1,152 1,176 6,179 3,180 2,183 1,185 2,187 6,191 1,197 2,200 3,206 2,209 2,211 2,214 1,218 2,219 2,224 1,227 2,232 4,239 2,244 6,247 1,251 1,256 4,269 3,281 500,282 14.052,283 14.052,284 14.052,285 14.052,286 14.052,287 12.602,288 20.167,289 8.798,290 14.504,291 10.921,292 10.921,293 10.921,294 10.921,295 10.921,296 8.809,297 33.21,298 4.242,299 11.639,300 3.728,301 1.957,302 1.165,303 0.862,304 0.789,305 0.789,306 3.747,310 1,311 1,312 1,313 404,314 2,318 194.986,325 1.5,326 12.01,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 43,338 186,339 4.172,340 3.14,341 6.168,342 3.805,343 2.894,344 3.729,345 0.86,346 9.175,347 2.638,348 3.898,349 2.808,350 5.407,351 3.531,352 2.551,353 3.442,354 0.8,355 7.137,356 2.505,357 3.594,358 2.52,359 5.237,360 3.28,361 2.335,362 2.818,363 0.657,364 6.66,365 2.195,366 2.984,367 2.245,368 4.392,369 2.682,370 1.782,371 2.115,373 4.373,374 1.603,375 2.894,376 1.66,377 3.643,378 2.483,379 1.497,380 2.011,382 3.152,383 1.471,384 2.661,385 1.503,386 3.538,387 2.204,388 1.29,389 1.719,391 2.821,392 1.175,393 2.5,394 1.256,395 3.429,396 2,397 1,398 1.5,400 2.389,401 1,402 2.194,403 1.138,404 3.247,405 1.952,406 1,407 1.164,409 2.136,410 0.946,411 2,412 1,413 3.247,414 1.896,415 1,416 1,418 2.136,419 0.89,420 1.821,421 0.789,422 3.076,423 1.536,424 0.6,425 0.711,427 1.401,428 0.56,429 0.931,430 -0.186,431 2.41,432 0.56,433 -0.398,434 -0.497,436 -0.951,437 -0.38,438 0.738,439 -0.341,440 2.296,441 0.4,442 -0.531,443 -0.6,445 -1.275,446 -0.493,447 0.558,448 -0.36,449 1.656,450 0.096,451 -0.862,452 -1,454 -1.934,455 -0.825,456 0.5,457 -0.748,458 1.555,460 -1,461 -1.128,463 -2.347,464 -0.846,465 0.211,466 -0.921,467 1.555,468 -0.065,469 -1,470 -1.265,472 -2.347,473 -0.933,474 9.433,475 0.472,476 0.256,477 0.013,478 26.75,479 1.338,480 13,481 0.65,482 13.75,483 0.688,484 12.852,485 0.643,486 21.767,487 0.573,488 16.272,489 0.814,490 5.463,491 0.273,492 4.453,493 0.223,496 0.201,501 0.941,502 1.56,503 0.816,504 1.226,505 0.83,506 1.035,507 1.369,508 0.98,509 1.065,510 0.966,511 1.123,512 0.981,513 1.142,514 1.186,515 1.051,516 1.028,517 1.095,518 1.03,519 0.922,520 1.01,521 1.074,522 0.983,523 1.198,524 1.021,525 0.839,526 0.872,527 0.94,528 0.814,529 1.005,530 0.862,531 1.016,532 1.067,533 1.092,534 1.063,535 1.035,536 1.069,537 0.831,538 1.015,539 0.996,540 1.05,541 0.819,542 1.047,543 0.927,544 0.837,545 0.889,546 0.856,547 0.853,548 0.869,549 2.5,550 0.016,551 1.333,552 0.5,553 0.524,554 0.375,555 0.102,556 0.155,557 0.086,558 0.009,559 4256,560 10186,561 2.169,562 47.4,564 16,566 1,567 1,572 1.614,573 2.143,574 3.239,575 -0.271,577 1,579 1,582 57.759,583 1.52,584 3.291,585 4.083,586 4.386,587 4.458,588 4.458,589 2.709,590 3.722,591 4.295,592 3.347,593 636,594 7.316,595 6657.7,596 1,597 1,599 1,600 199.421,601 0.722,602 4.3,603 0.114,604 0.002,605 0.048,606 0.019,607 0.025,608 0.018,609 0.005,610 0.01,611 0.007,612 0.001,613 0.248,614 0.67,615 1,617 89.845,618 -0.023,619 -0.335,620 0.076,621 -0.148,622 0.022,623 -0.04,624 -0.033,625 0.144,626 -0.089,627 0.002,628 -0.022,629 -0.053,630 -0.074,631 -0.172,632 -0.075,633 -0.068,634 -0.104,635 -0.076,636 -0.051,637 0.009,638 -0.096,639 -0.07,640 -0.163,641 -0.084,642 0.089,643 0.125,644 0.046,645 0.113,646 0.056,647 0.086,648 -0.145,649 -0.029,650 -0.139,651 -0.091,652 -0.117,653 -0.103,654 0.058,655 -0.064,656 -0.029,657 -0.067,658 0.099,659 -0.061,660 -0.046,661 0.039,662 0.097,663 0.118,664 0.039,665 0.127,666 0.897,667 1.844,668 0.9,669 15.2,670 0.998,671 1.134,672 2.512,673 6.312,674 0.653,675 3.135,676 3.367,677 3.584,678 3.784,679 3.989,680 3.85,681 3.951,682 3.989,683 4.043,684 4.007,685 5.548,686 0.618,687 270.37,688 3.135,689 4.615,690 5.425,691 6.252,692 7.076,693 7.909,694 8.738,695 9.574,696 10.406,697 11.243,698 10.5,703 1,704 1,708 2,715 7,716 2,720 3,722 12,734 1,736 1,741 38,743 12,744 1,745 22,747 40,748 15,749 10,750 1,751 5,756 3,757 3,772 10,773 5,789 1,790 1,793 18,794 5,795 1,796 5,802 4,808 1,809 1,823 1,829 3,858 1,859 3,868 20,876 5,877 1,878 1,881 1,893 2.6,897 1,901 9.333,902 6.6,903 4.528,904 2.251,907 2.166,908 1.332,909 0.982,910 4.335,911 8.694,912 3.367,913 3.85,914 4.331,915 4.806,916 5.284,917 5.161,918 5.425,919 5.664,920 5.994,921 6.223,922 1,923 26,924 7.368,926 3.002,927 0.026,929 7.525,931 14.385,933 11.44,936 2.025,937 40.5,938 0.001,941 200.109,942 88.819,943 54.706,945 11,948 88.819,949 211.109,950 54.706,952 15.502,953 56.857,954 74.353,955 15.357,956 4.227,957 188.338,959 200.109,960 143.525,961 11,964 200.109,966 11,968 26.448,969 65.495,970 51.582,972 200.109,973 65.706,974 88.819,977 200.109,978 22.914,979 69.029,980 18.011,981 44.571,982 200.109,983 65.706,984 88.819,986 0.555,987 0.315,988 0.172,989 0.095,990 13,991 4,992 0.1,993 4,995 1,996 3.449,997 142.097,999 18,1000 78.439,1005 13.191,1006 6.572,1007 3.617,1009 65.706,1010 13.975,1011 8.897,1015 2.857,1017 18.011,1018 354.634,1019 28,1031 37.92,1032 43.109,1034 0.29,1035 0.627,1036 0.778,1037 0.836,1038 0.85,1039 0.85,1040 4.543,1041 1,1042 5.333,1043 2.389,1044 4.043,1045 4.533,1046 1.459,1047 6.019,1048 3.922,1049 5.665,1050 1,1051 6.799,1052 2.136,1053 3.219,1054 3.861,1055 0.325,1056 6.629,1057 3.026,1058 6.901,1059 0.6,1060 8.366,1061 2.136,1062 5.501,1063 6.548,1064 1.074,1065 9.717,1066 5.255,1067 8.171,1068 -0.398,1069 9.998,1070 1.401,1071 5.565,1072 6.72,1073 0.268,1074 11.237,1075 5.228,1076 9.476,1077 -0.531,1078 11.673,1079 -0.951,1080 7.223,1081 8.833,1082 0.807,1083 13.764,1084 6.843,1085 10.805,1086 -0.862,1087 13.379,1088 -1.275,1089 7.739,1090 9.43,1091 0.188,1092 15.662,1093 7.257,1094 12.15,1095 -1,1096 15.107,1097 -1.934,1098 9.089,1099 11.246,1100 0.608,1101 17.988,1102 8.561,1103 2.894,1104 -1,1105 16.851,1106 -2.347,1107 9.849,1108 12.087,1109 0.125,1110 20.055,1111 9.213,1112 2.551,1113 9.175,1114 18.607,1115 -2.347,1116 11.042,1117 13.725,1118 0.458,1119 22.307,1120 10.353,1121 2.335,1122 7.137,1123 20.373,1124 3.729,1125 11.936,1126 14.72,1127 0.082,1128 24.452,1129 11.137,1130 1.782,1131 6.66,1132 22.146,1133 3.442,1134 13.051,1135 16.246,1136 0.343,1137 26.677,1138 12.189,1139 1.497,1140 4.373,1141 23.925,1142 2.818,1143 14.018,1144 17.342,1145 0.054,1146 28.859,1147 13.047,1148 1.29,1149 3.152,1150 25.71,1151 2.115,1152 15.097,1153 18.794,1154 0.256,1155 31.075,1156 14.053,1157 1,1158 2.821,1159 27.499,1160 2.011,1161 16.103,1162 19.958,1163 0.035,1164 33.274,1165 14.952,1166 4051,1167 6358,1168 15.485,1169 24.807,1170 31.983,1171 32.115,1172 31.86,1173 31.918,1174 31.899,1175 40.418,1176 4.635,1177 82.756,1178 29.965,1179 5.172,1180 5.14,1181 5.97,1182 4.908,1183 4.894,1184 6.729,1185 1.72,1186 15.377,1187 4.638,1189 1.454,1190 1.46,1191 1.448,1192 1.451,1193 1.45,1194 1.837,1195 0.211,1196 3.762,1197 1.362,1198 3.953,1199 4.003,1200 3.891,1201 3.859,1202 5.002,1203 3.855,1204 3.859,1205 3.904,1206 3.793,1207 3.687,1208 4.749,1209 3.713,1210 3.665,1211 3.719,1212 3.553,1213 3.464,1214 4.601,1215 3.477,1216 3.255,1217 3.338,1218 3.12,1219 3.063,1220 4.164,1221 3.063,1222 3.111,1223 3.206,1224 2.866,1225 2.941,1226 3.897,1227 2.91,1228 2.916,1229 2.98,1230 2.805,1231 2.735,1232 3.713,1233 2.715,1234 2.854,1235 2.925,1236 2.687,1237 2.657,1238 3.674,1239 2.688,1240 2.736,1241 2.817,1242 2.629,1243 2.521,1244 3.474,1245 2.538,1246 0.19,1247 0.143,1248 0.28,1249 0.173,1250 0.132,1251 4.172,1252 0.17,1253 3.14,1254 0.039,1255 6.168,1256 0.417,1257 3.805,1258 0.12,1259 2.894,1260 3.729,1261 0.86,1262 9.175,1263 2.638,1264 1.915,1265 1.883,1266 2.044,1267 2.046,1268 1.199,1269 2.036,1270 1.79,1271 1.735,1272 1.939,1273 1.98,1274 1.153,1275 1.981,1276 1.609,1277 1.554,1278 1.785,1279 1.827,1280 0.825,1281 1.82,1282 1.226,1283 1.151,1284 1.513,1285 1.467,1286 0.811,1287 1.477,1288 1.153,1289 1.064,1290 1.486,1291 1.376,1292 0.615,1293 1.429,1294 0.886,1295 0.821,1296 1.181,1297 1.136,1298 0.263,1299 1.127,1300 0.823,1301 0.757,1302 1.102,1303 1.062,1304 0.218,1305 1.107,1306 0.69,1307 0.609,1308 0.969,1309 0.94,1310 0.025,1311 0.953,1312 3.807,1314 5.056,1316 6.515,1318 8.057,1320 9.639,1328 3.945,1329 3.331,1330 5.344,1333 2.15,1340 23.488,1341 57.759,1342 125.041,1343 155.157,1344 166.666,1345 169.421,1346 169.421,1347 20.471,1348 6.528,1349 50.28,1350 50.28,1351 18,1352 11.812,1353 3.7,1354 2.807,1355 30.078,1356 66,1357 60,1358 0.221,1359 146.084,1360 246.13,1361 348.206,1362 5637,1364 13.623,1365 0.681,1366 0.566,1367 13.623,1368 11.327,1369 9.916,1370 0.451,1371 0.311,1372 6.733,1373 9.477,1374 6.623,1375 5.464,1376 9.916,1377 6.852,1378 8.272,1379 0.295,1380 0.167,1381 8.272,1382 4.68,1383 6.848,1384 0.196,1385 0.093,1386 6.848,1387 3.253,1388 5.576,1389 0.13,1390 0.05,1391 5.576,1392 2.151,1393 4.582,1394 0.086,1395 0.027,1396 4.582,1397 1.431,1398 0.348,1399 62.386,1400 0.254,1401 20.269,1402 0.596,1403 100,1404 283.004,1405 111.01,1406 271.016,1407 374.71,1408 258,1409 113,1410 273.425,1411 124.428,1412 275.756,1413 400.87,1414 260,1415 4.854}
{0 CHEMBL1085858,1 1.267,2 15.344,3 6.312,4 39.845,5 132.667,6 6.635,7 0.5,8 4.226,9 4.352,10 3.714,11 3.837,12 5.173,13 3.777,14 4.807,15 4.992,16 4.054,17 4.26,18 5.67,19 4.17,20 5.125,21 5.361,22 4.084,23 4.418,24 5.935,25 4.282,26 5.189,27 5.449,28 3.982,29 4.4,30 5.961,31 4.236,32 5.159,33 5.433,34 3.941,35 4.355,36 5.919,37 4.188,38 5.072,39 5.327,40 3.865,41 4.279,42 5.92,43 4.115,44 4.984,45 5.251,46 3.677,47 4.16,48 5.778,49 3.976,50 4.84,51 5.12,52 3.585,53 4.019,54 5.568,55 3.84,56 0.061,57 0.864,58 14.514,59 6.372,60 8.518,61 8.882,62 0.167,63 1.518,64 26.931,65 10.806,66 16.658,67 15.394,68 0.256,69 1.978,70 37.889,71 15.121,72 33.413,73 21.531,74 0.286,75 2.039,76 40.812,77 16.404,78 38.502,79 23.271,80 0.254,81 1.948,82 39.613,83 16.273,84 33.357,85 23.085,86 0.322,87 1.77,88 36.462,89 14.837,90 42.391,91 20.708,92 0.296,93 1.611,94 33.427,95 13.66,96 40.624,97 19.186,98 0.161,99 1.411,100 28.642,101 11.925,102 25.342,103 17.008,104 2,105 49,106 0.202,107 0.476,108 0.668,109 0.8,110 0.835,111 0.84,112 3.502,113 1.001,114 -6.33,115 -6.17,116 -5.73,121 45.3,123 5,124 1,127 4,144 13,145 3,146 2,159 1,176 19,180 10,187 20,192 10,200 14,206 8,214 14,219 5,227 22,231 1,232 1,239 23,243 1,244 2,251 16,256 5,264 10,269 7,277 8,281 1880,282 22.292,283 22.292,284 22.292,285 22.292,286 22.292,287 20.023,288 25.102,289 13.425,290 22.469,291 17.819,292 17.819,293 17.819,294 17.819,295 17.819,296 14.44,297 32.246,298 6.442,299 18.108,300 4.733,301 3.007,302 1.803,303 0.973,304 0.75,305 0.719,306 4.216,312 1,313 1099,314 3.162,317 82.138,318 433.122,321 144.46,325 2.49,326 16.77,329 0.75,330 0.83,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.78,337 66,338 491,339 4.453,340 3.611,341 6.717,342 4.139,343 3.175,344 4.051,345 1.277,346 10.929,347 3.075,348 4.08,349 3.383,350 6.056,351 3.781,352 2.778,353 3.547,354 0.916,355 8.713,356 2.78,357 3.941,358 3.017,359 5.678,360 3.679,361 2.711,362 3.457,363 0.8,364 7.789,365 2.624,366 3.781,367 2.632,368 5.615,369 3.47,370 2.473,371 3.202,372 0.172,373 7.468,374 2.464,375 3.594,376 2.556,377 5.328,378 3.373,379 2.374,380 2.635,382 6.932,383 2.366,384 3.185,385 2.225,386 4.955,387 3.027,388 2.072,389 2.29,391 5.867,392 1.969,393 3.077,394 1.971,395 4.639,396 2.705,397 1.721,398 2.225,400 4.65,401 1.689,402 2.899,403 1.821,404 4.171,405 2.53,406 1.525,407 2.023,409 3.828,410 1.531,411 2.824,412 1.52,413 4.069,414 2.418,415 1.423,416 1.931,418 3.407,419 1.415,420 2.759,421 1.501,422 3.592,423 2.337,424 1.336,425 1.812,427 3.037,428 1.335,429 2.5,430 1.149,431 3.496,432 2.015,433 1.038,434 1.5,436 2.559,437 1.012,438 2.5,439 1.087,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.279,448 1.077,449 3.247,450 2,451 1,452 1.236,454 2.136,455 1,456 2,457 1,458 3.247,459 1.984,460 1,461 1,463 2.136,464 0.983,465 1.793,466 1,467 3.209,468 1.622,469 0.615,470 0.698,472 1.448,473 0.616,474 15.633,475 0.489,476 0.585,477 0.018,478 39.75,479 1.242,480 20,481 0.625,482 19.75,483 0.617,484 29.294,485 0.915,486 33.567,487 0.524,488 27.14,489 0.848,490 7.433,491 0.232,492 8.326,493 0.26,494 0.021,496 0.275,501 0.702,502 1.227,503 0.885,504 1.056,505 0.532,506 0.993,507 1.044,508 1.152,509 1.04,510 1.047,511 0.604,512 1.034,513 1.131,514 1.086,515 1.071,516 1.054,517 0.9,518 1.053,519 1.168,520 1.017,521 1.055,522 1.024,523 1.163,524 1.031,525 0.932,526 0.914,527 0.919,528 0.941,529 1.026,530 0.932,531 1.34,532 0.973,533 1.065,534 1.022,535 1.783,536 1.033,537 1.216,538 0.968,539 1.075,540 1.019,541 1.596,542 1.043,543 0.682,544 0.978,545 0.893,546 0.991,547 0.694,548 0.962,549 5,550 0.164,551 3.111,552 1.507,553 1.383,554 0.743,555 0.532,556 0.409,557 0.23,558 0.152,559 17993,560 35337,561 2.194,562 50,563 3,564 21,568 2,569 6,572 1.736,573 2.133,574 3.878,575 -0.898,582 81.119,583 1.267,584 2.993,585 4.197,586 5.027,587 5.25,588 5.281,589 3.367,590 4.563,591 4.969,592 4.06,593 2013.6,594 8.646,595 31506.3,600 384,601 1.043,602 4.964,603 0.139,604 0.007,605 0.063,606 0.031,607 0.033,608 0.018,609 0.014,610 0.014,611 0.008,612 0.006,613 0.333,614 0.5,615 0.75,616 0.313,617 173.025,618 0.053,619 -0.105,620 0.073,621 -0.01,622 0.032,623 0.024,624 -0.065,625 -0.043,626 -0.057,627 -0.053,628 0.006,629 -0.053,630 -0.071,631 -0.058,632 -0.082,633 -0.074,634 0.013,635 -0.077,636 -0.071,637 -0.037,638 -0.064,639 -0.046,640 -0.047,641 -0.053,642 0.019,643 0.04,644 0.064,645 0.043,646 -0.003,647 0.056,648 0.001,649 -0.018,650 -0.064,651 -0.036,652 -0.125,653 -0.053,654 -0.006,655 -0.025,656 -0.081,657 -0.035,658 -0.121,659 -0.061,660 0.087,661 -0.034,662 0.08,663 -0.004,664 0.09,665 0.032,666 1.363,667 5.92,668 0.844,669 41.891,670 0.981,671 1.116,672 5.104,673 26.048,674 0.67,675 3.611,676 3.912,677 4.19,678 4.443,679 4.673,680 4.71,681 4.875,682 5.004,683 5.024,684 5.094,685 8.747,686 0.62,687 424.63,688 3.611,689 5.142,690 5.989,691 6.853,692 7.716,693 8.587,694 9.456,695 10.332,696 11.207,697 12.086,698 3.1,701 1,706 1,715 13,720 5,722 18,727 1,736 1,741 64,743 19,744 3,745 36,747 68,748 29,749 18,750 5,751 13,752 1,756 5,757 6,767 3,768 1,770 5,772 19,773 10,774 1,777 1,782 1,786 1,793 32,794 3,796 3,802 2,808 0.8,809 1,828 1,829 4,832 1,855 1,859 4,868 32,876 9,880 1,881 2,893 1.6,896 1,901 15,902 11.233,903 7.028,904 4.208,907 2.987,908 1.364,909 1.01,910 6.478,911 11.191,912 3.85,913 4.376,914 4.896,915 5.399,916 5.905,917 5.994,918 6.365,919 6.667,920 6.883,921 7.167,922 1,923 48,924 11.918,926 5.083,927 0.026,929 7.432,931 23.847,933 20.465,936 1.932,937 61.833,941 376.675,942 164.49,943 6.249,945 25.145,948 164.49,949 401.82,950 6.249,952 21.095,953 123.191,954 30.278,955 21.319,957 376.675,959 376.675,960 170.739,961 25.145,964 306.049,965 95.772,968 27.344,969 143.395,972 376.675,973 31.394,974 164.49,977 376.675,978 41.299,979 129.44,981 25.145,982 376.675,983 31.394,984 164.49,986 0.574,987 0.334,988 0.181,989 0.1,990 24,991 9,992 0.103,993 7,994 1,995 1.074,996 4.613,997 285.078,998 0.074,999 27,1000 148,1005 21.124,1006 9.813,1007 5.034,1009 31.394,1010 27.562,1015 6.056,1018 572.559,1019 46,1024 12.92,1028 0.303,1031 62.785,1032 71.434,1034 0.211,1035 0.499,1036 0.7,1037 0.838,1038 0.875,1039 0.88,1040 5.078,1041 1.525,1042 5.943,1043 4.65,1044 4.595,1045 5.063,1046 1.906,1047 6.715,1048 4.564,1049 6.234,1050 1.423,1051 7.47,1052 3.828,1053 4.007,1054 4.59,1055 0.57,1056 7.526,1057 3.946,1058 7.504,1059 1.336,1060 9.098,1061 3.407,1062 6.146,1063 7.115,1064 2.047,1065 10.631,1066 6.075,1067 8.806,1068 1.038,1069 10.789,1070 3.037,1071 6.431,1072 7.486,1073 0.581,1074 12.331,1075 6.325,1076 10.143,1077 1,1078 12.522,1079 2.559,1080 7.979,1081 9.459,1082 2.367,1083 14.933,1084 7.861,1085 11.504,1086 1,1087 14.285,1088 2.275,1089 8.682,1090 10.247,1091 0.515,1092 17.01,1093 8.526,1094 12.885,1095 1,1096 16.07,1097 2.136,1098 9.977,1099 11.958,1100 2.767,1101 19.452,1102 9.806,1103 3.175,1104 0.615,1105 17.872,1106 2.136,1107 10.891,1108 12.979,1109 0.441,1110 21.698,1111 10.681,1112 2.778,1113 10.929,1114 19.688,1115 1.448,1116 12.078,1117 14.547,1118 3.207,1119 24.093,1120 11.846,1121 2.711,1122 8.713,1123 21.516,1124 4.051,1125 13.1,1126 15.709,1127 0.373,1128 26.415,1129 12.829,1130 2.473,1131 7.789,1132 23.353,1133 3.547,1134 14.245,1135 17.196,1136 3.669,1137 28.799,1138 13.948,1139 2.374,1140 7.468,1141 25.199,1142 3.457,1143 15.321,1144 18.444,1145 0.314,1146 31.156,1147 14.986,1148 2.072,1149 6.932,1150 27.051,1151 3.202,1152 16.454,1153 19.885,1154 4.143,1155 33.539,1156 16.088,1157 1.721,1158 5.867,1159 28.91,1160 2.635,1161 17.56,1162 21.188,1163 0.264,1164 35.913,1165 17.157,1166 16400,1167 23099,1168 25.137,1169 42.887,1170 53.884,1171 54.684,1172 54.022,1173 53.529,1174 53.492,1175 67.416,1176 6.333,1177 148.844,1178 52.726,1179 5.453,1180 5.611,1181 6.518,1182 5.174,1183 5.175,1184 7.051,1185 2.555,1186 18.096,1187 5.075,1188 7.305,1189 1.497,1190 1.519,1191 1.501,1192 1.487,1193 1.486,1194 1.873,1195 0.176,1196 4.135,1197 1.465,1198 4.065,1199 4.099,1200 4.009,1201 3.984,1202 7.427,1203 3.986,1204 3.948,1205 3.995,1206 3.863,1207 3.864,1208 4.816,1209 3.859,1210 3.852,1211 3.886,1212 3.777,1213 3.786,1214 4.752,1215 3.779,1216 3.811,1217 3.851,1218 3.704,1219 3.72,1220 4.644,1221 3.709,1222 3.568,1223 3.617,1224 3.468,1225 3.413,1226 4.318,1227 3.418,1228 3.349,1229 3.419,1230 3.202,1231 3.199,1232 4.015,1233 3.189,1234 3.167,1235 3.233,1236 3.019,1237 3.016,1238 3.887,1239 3.006,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.7,1245 2.91,1246 0.124,1247 0.1,1248 0.187,1249 0.115,1250 0.088,1251 4.453,1252 0.113,1253 3.611,1254 0.035,1255 6.717,1256 0.304,1257 4.139,1258 0.085,1259 3.175,1260 4.051,1261 1.277,1262 10.929,1263 3.075,1264 1.95,1265 1.923,1266 2.106,1267 2.073,1268 1.485,1269 2.087,1270 1.926,1271 1.893,1272 2.035,1273 2.02,1274 1.211,1275 2.026,1276 1.873,1277 1.843,1278 2.013,1279 1.967,1280 1.157,1281 1.984,1282 1.823,1283 1.777,1284 1.976,1285 1.928,1286 1.121,1287 1.947,1288 1.492,1289 1.437,1290 1.738,1291 1.681,1292 1.013,1293 1.703,1294 1.436,1295 1.367,1296 1.684,1297 1.634,1298 0.907,1299 1.656,1300 1.201,1301 1.144,1302 1.513,1303 1.404,1304 0.825,1305 1.429,1306 1.153,1307 1.064,1308 1.456,1309 1.376,1310 0.685,1311 1.422,1312 4.29,1314 5.595,1315 2.398,1316 7.096,1317 4.727,1318 8.68,1319 6.843,1320 10.307,1328 9.414,1332 0.675,1333 4.902,1340 39.66,1341 81.119,1342 191.568,1343 268.61,1344 321.735,1345 336,1346 338,1347 47.263,1348 8.205,1349 23.55,1350 23.55,1351 29,1352 12.624,1353 4.322,1354 3.459,1355 46.203,1356 169,1357 164,1358 0.13,1359 240.292,1360 420.15,1361 578.073,1362 51116,1364 21.753,1365 0.68,1366 0.586,1367 21.753,1368 18.75,1369 15.759,1370 0.438,1371 0.334,1372 11.94,1373 15.494,1374 11.669,1375 9.632,1376 15.759,1377 12.011,1378 13.817,1379 0.282,1380 0.189,1381 13.817,1382 9.248,1383 11.951,1384 0.184,1385 0.109,1386 11.951,1387 7.101,1388 9.889,1389 0.118,1390 0.062,1391 9.889,1392 5.206,1393 8.188,1394 0.077,1395 0.036,1396 8.188,1397 3.799,1398 0.213,1399 96.282,1400 0.199,1401 30.88,1402 0.33,1403 170,1404 363.026,1405 176.933,1406 363.401,1407 510.31,1408 344,1409 199,1410 380.27,1411 206.988,1412 391.041,1413 570.87,1414 371,1415 7.167}
{0 CHEMBL1085932,1 1.515,2 21.19,3 5.815,4 33.811,5 159.242,6 7.394,7 0.4,8 4.447,9 4.547,10 3.982,11 3.933,12 5.609,13 3.929,14 4.967,15 5.125,16 4.324,17 4.303,18 6.111,19 4.277,20 5.231,21 5.415,22 4.391,23 4.427,24 6.426,25 4.374,26 5.31,27 5.534,28 4.289,29 4.402,30 6.409,31 4.323,32 5.232,33 5.451,34 4.2,35 4.374,36 6.254,37 4.285,38 5.245,39 5.479,40 4.211,41 4.379,42 6.259,43 4.274,44 5.227,45 5.452,46 4.169,47 4.338,48 6.33,49 4.238,50 5.165,51 5.398,52 4.067,53 4.273,54 6.201,55 4.161,56 0.149,57 1.036,58 16.347,59 7.547,60 22.334,61 9.195,62 0.512,63 1.638,64 30.236,65 12.012,66 46.063,67 15.494,68 0.861,69 1.953,70 42.022,71 15.683,72 111.612,73 20.406,74 1.013,75 2.038,76 48.105,77 16.318,78 126.962,79 22.043,80 0.785,81 1.943,82 43.591,83 15.417,84 94.374,85 20.744,86 0.862,87 1.967,88 44.341,89 16.068,90 96.917,91 22.321,92 1.046,93 1.899,94 44.018,95 15.403,96 127.865,97 20.953,98 0.723,99 1.795,100 40.996,101 14.729,102 97.056,103 20.291,104 53,105 61,106 0.232,107 0.56,108 0.758,109 0.864,110 0.892,111 0.892,112 3.764,113 0.924,114 -2.89,115 -2.9,116 -2.8,121 41,123 5,126 2,127 3,137 1,140 1,144 9,145 3,146 6,159 1,161 1,176 13,179 1,180 11,183 2,185 2,187 13,191 1,192 11,196 2,197 4,200 6,205 1,206 13,210 1,211 7,214 7,218 1,219 7,224 3,227 11,231 1,232 5,235 2,237 1,239 13,243 1,244 3,247 4,249 2,251 11,255 1,256 5,259 1,261 5,264 10,269 4,274 5,277 8,281 4226,282 28.093,283 28.093,284 28.093,285 28.093,286 28.093,287 25.373,288 31.062,289 16.822,290 28.708,291 22.157,292 22.157,293 22.157,294 22.157,295 22.157,296 17.888,297 36.116,298 8.03,299 23.139,300 4.771,301 2.622,302 1.327,303 0.638,304 0.455,305 0.455,306 4.456,312 1,313 1891,314 4.848,317 121.03,318 482.977,321 217.842,325 3.19,326 55.278,329 0.75,330 0.5,331 0.67,332 0.9,333 1,334 0.5,336 0.62,337 93,338 890,339 4.533,340 3.728,341 6.694,342 4.171,343 3.191,344 4.153,345 2.186,346 10.797,347 3.127,348 4.359,349 3.66,350 6.31,351 3.936,352 2.977,353 4.045,354 0.916,355 9.31,356 2.85,357 4.105,358 3.219,359 5.681,360 3.723,361 2.761,362 3.688,363 0.86,364 7.996,365 2.661,366 3.901,367 2.984,368 5.663,369 3.469,370 2.512,371 3.346,372 0.86,373 7.62,374 2.4,375 3.672,376 2.941,377 5.317,378 3.38,379 2.451,380 2.916,381 0.366,382 6.815,383 2.261,384 3.585,385 2.632,386 5.29,387 3.203,388 2.235,389 2.886,390 0.172,391 6.766,392 2.155,393 3.378,394 2.616,395 5.084,396 3.123,397 2.167,398 2.515,400 5.775,401 2.055,402 3.232,403 2.395,404 4.879,405 2.868,406 1.887,407 2.481,409 5.594,410 1.845,411 3.224,412 2.232,413 4.862,414 2.816,415 1.879,416 2.431,418 5.225,419 1.757,420 3.09,421 2.172,422 4.745,423 2.794,424 1.82,425 2.175,427 4.928,428 1.749,429 3.025,430 2.013,431 4.585,432 2.71,433 1.736,434 2.16,436 4.814,437 1.681,438 2.824,439 1.842,440 3.857,441 2.613,442 1.669,443 1.833,445 3.679,446 1.557,447 2.658,448 1.546,449 3.606,450 2.357,451 1.384,452 1.725,454 2.894,455 1.341,456 2.499,457 1.404,458 3.519,459 2.179,460 1.187,461 1.442,463 2.606,464 1.175,465 2.39,466 1.278,467 3.473,468 1.921,469 0.931,470 1.282,472 2.221,473 0.91,474 19.467,475 0.463,476 1.03,477 0.025,478 52,479 1.238,480 25.5,481 0.607,482 26.5,483 0.631,484 38.827,485 0.924,486 47.133,487 0.604,488 45.223,489 1.077,490 10.368,491 0.247,492 9.859,493 0.235,494 0.137,496 0.329,501 0.888,502 1.27,503 0.825,504 1.135,505 0.792,506 0.991,507 0.785,508 1.039,509 0.848,510 1.043,511 0.541,512 0.96,513 0.912,514 1.107,515 0.936,516 1.103,517 0.705,518 1.04,519 0.991,520 0.965,521 0.95,522 0.948,523 0.903,524 0.941,525 0.981,526 0.999,527 1.024,528 1.003,529 0.907,530 1.019,531 0.625,532 1.011,533 0.865,534 1.02,535 0.619,536 1,537 0.813,538 0.921,539 0.984,540 0.979,541 0.664,542 1.014,543 0.765,544 1.065,545 0.97,546 1.091,547 0.698,548 1.08,549 9,550 0.218,551 3.778,552 3.451,553 1.76,554 1.271,555 0.814,556 0.705,557 0.391,558 0.262,559 38924,560 115292,561 2.02,562 46.2,563 6,564 22,567 4,569 4,572 1.801,573 1.881,574 4.311,575 1.391,582 118.144,583 1.515,584 3.664,585 4.958,586 5.647,587 5.83,588 5.83,589 3.74,590 5.107,591 5.366,592 4.545,593 3913.31,594 9.421,595 83016.2,600 490.261,601 1.443,602 5.316,603 0.2,604 0.007,605 0.062,606 0.056,607 0.032,608 0.025,609 0.016,610 0.015,611 0.009,612 0.007,613 0.428,614 0.17,615 0.63,616 0.944,617 252.895,618 -0.089,619 -0.072,620 0.02,621 -0.009,622 -0.092,623 0.023,624 0.053,625 0.093,626 0.058,627 0.005,628 0.094,629 0.035,630 0.062,631 -0.093,632 0.023,633 -0.078,634 0.143,635 -0.042,636 -0.012,637 0.002,638 0.046,639 0.032,640 0.037,641 0.049,642 -0.089,643 -0.003,644 -0.053,645 -0.007,646 -0.069,647 -0.02,648 0.133,649 -0.031,650 0.093,651 -0.016,652 0.087,653 0.024,654 0.088,655 0.058,656 -0.004,657 0.009,658 0.127,659 -0.014,660 0.036,661 -0.091,662 -0.004,663 -0.092,664 0.075,665 -0.064,666 2.292,667 5.697,668 0.5,669 69.946,670 1.011,671 1.125,672 1.658,673 2.749,674 0.649,675 3.829,676 4.127,677 4.344,678 4.564,679 4.736,680 4.82,681 4.913,682 5.03,683 5.043,684 5.088,685 12.263,686 0.625,687 576.7,688 3.829,689 5.361,690 6.188,691 7.048,692 7.893,693 8.762,694 9.617,695 10.493,696 11.355,697 12.236,698 2.6,701 1,705 1,715 9,720 9,722 18,727 1,737 1,738 3,739 2,741 78,743 21,744 3,745 45,747 81,748 32,749 18,750 9,751 9,752 3,756 4,757 5,770 5,772 22,773 10,777 3,782 2,784 1,786 3,793 36,794 10,795 4,796 10,802 2,808 0.75,809 8,828 1,829 3,832 1,849 2,855 1,859 3,864 2,868 42,875 3,876 8,877 1,878 3,881 1,893 10.3,895 3,896 2,898 3,901 22.333,902 14.217,903 9.389,904 4.675,907 3.776,908 1.448,909 0.918,910 11.259,911 12.202,912 4.06,913 4.61,914 5.116,915 5.633,916 6.14,917 6.379,918 6.675,919 7.022,920 7.281,921 7.605,922 0.929,923 62,924 15.599,926 6.629,927 0.026,929 7.952,931 29.236,933 23.433,936 2.452,937 103,941 376.675,942 175.458,943 21.135,945 211.34,948 175.458,949 588.015,950 21.135,951 16.793,952 39.487,953 94.762,954 188.717,955 61.411,956 6.763,957 376.675,959 376.675,960 196.593,961 211.34,964 329.591,965 258.424,968 42.612,969 139.262,970 14.72,972 376.675,973 232.475,974 175.458,977 376.675,978 63.903,979 114.68,980 18.011,981 211.34,982 376.675,983 232.475,984 175.458,986 0.575,987 0.327,988 0.166,989 0.087,990 25,991 13,992 0.173,993 14,994 1,995 1.095,996 5.393,997 379.742,998 0.095,999 21,1000 220.477,1005 31.379,1006 15.069,1007 8.969,1009 232.475,1010 15.052,1015 1.682,1017 146.061,1018 784.608,1019 57,1024 24.103,1026 1.391,1028 -0.761,1031 78.843,1032 87.73,1034 0.241,1035 0.583,1036 0.789,1037 0.898,1038 0.928,1039 0.928,1040 5.296,1041 1.887,1042 6.163,1043 5.775,1044 4.812,1045 5.298,1046 2.639,1047 6.93,1048 4.73,1049 6.486,1050 1.879,1051 7.698,1052 5.594,1053 4.369,1054 5.103,1055 1.847,1056 7.722,1057 4.239,1058 7.781,1059 1.82,1060 9.33,1061 5.225,1062 6.368,1063 7.426,1064 3.582,1065 10.814,1066 6.214,1067 9.109,1068 1.736,1069 11.019,1070 4.928,1071 6.723,1072 8.015,1073 3.603,1074 12.437,1075 6.524,1076 10.468,1077 1.669,1078 12.744,1079 4.814,1080 8.195,1081 9.846,1082 4.922,1083 15.056,1084 7.98,1085 11.85,1086 1.384,1087 14.496,1088 3.679,1089 8.94,1090 10.814,1091 5.291,1092 17.07,1093 8.689,1094 13.25,1095 1.187,1096 16.269,1097 2.894,1098 10.198,1099 12.433,1100 6.39,1101 19.518,1102 9.932,1103 3.191,1104 0.931,1105 18.06,1106 2.606,1107 11.14,1108 13.6,1109 6.93,1110 21.718,1111 10.845,1112 2.977,1113 10.797,1114 19.864,1115 2.221,1116 12.312,1117 15.114,1118 7.902,1119 24.105,1120 12.001,1121 2.761,1122 9.31,1123 21.681,1124 4.153,1125 13.351,1126 16.388,1127 8.539,1128 26.393,1129 13.016,1130 2.512,1131 7.996,1132 23.508,1133 4.045,1134 14.491,1135 17.849,1136 9.436,1137 28.761,1138 14.139,1139 2.451,1140 7.62,1141 25.344,1142 3.688,1143 15.578,1144 19.182,1145 10.13,1146 31.091,1147 15.205,1148 2.235,1149 6.815,1150 27.188,1151 3.346,1152 16.709,1153 20.616,1154 10.981,1155 33.455,1156 16.32,1157 2.167,1158 6.766,1159 29.039,1160 2.916,1161 17.821,1162 21.982,1163 11.71,1164 35.805,1165 17.412,1166 37314,1167 64634,1168 29.531,1169 50.591,1170 65.799,1171 68.729,1172 67.957,1173 65.465,1174 65.451,1175 82.365,1176 10.723,1177 182.263,1178 62.645,1179 5.497,1180 5.728,1181 6.585,1182 5.254,1183 5.191,1184 7.153,1185 3.889,1186 17.884,1187 5.127,1188 25.469,1189 1.462,1190 1.527,1191 1.51,1192 1.455,1193 1.454,1194 1.83,1195 0.238,1196 4.05,1197 1.392,1198 4.038,1199 4.045,1200 4.004,1201 3.946,1202 7.435,1203 3.957,1204 3.94,1205 3.968,1206 3.878,1207 3.856,1208 7.427,1209 3.856,1210 3.886,1211 3.894,1212 3.849,1213 3.805,1214 6.562,1215 3.813,1216 3.769,1217 3.827,1218 3.621,1219 3.642,1220 6.446,1221 3.626,1222 3.609,1223 3.673,1224 3.496,1225 3.418,1226 6.383,1227 3.421,1228 3.525,1229 3.585,1230 3.44,1231 3.319,1232 4.919,1233 3.335,1234 3.463,1235 3.489,1236 3.369,1237 3.215,1238 4.814,1239 3.257,1240 3.334,1241 3.401,1242 3.163,1243 3.15,1244 4.603,1245 3.144,1246 0.101,1247 0.083,1248 0.149,1249 0.093,1250 0.071,1251 4.533,1252 0.092,1253 3.728,1254 0.049,1255 6.694,1256 0.24,1257 4.171,1258 0.069,1259 3.191,1260 4.153,1261 2.186,1262 10.797,1263 3.127,1264 1.912,1265 1.887,1266 2.052,1267 2.028,1268 1.392,1269 2.035,1270 1.896,1271 1.885,1272 2.008,1273 1.993,1274 1.209,1275 1.985,1276 1.863,1277 1.851,1278 1.965,1279 1.976,1280 1.111,1281 1.977,1282 1.773,1283 1.713,1284 1.939,1285 1.919,1286 1.081,1287 1.934,1288 1.576,1289 1.508,1290 1.831,1291 1.794,1292 1.046,1293 1.805,1294 1.422,1295 1.421,1296 1.692,1297 1.726,1298 0.855,1299 1.716,1300 1.403,1301 1.336,1302 1.658,1303 1.611,1304 0.683,1305 1.618,1306 1.346,1307 1.266,1308 1.491,1309 1.577,1310 0.664,1311 1.556,1312 4.511,1314 5.814,1315 2.398,1316 7.294,1317 4.844,1318 8.86,1319 7.018,1320 10.477,1322 3.607,1327 28.915,1328 7.546,1329 2.442,1330 16.772,1333 2.252,1340 48.717,1341 118.144,1342 285.776,1343 386.738,1344 440.487,1345 454.752,1346 454.752,1347 118.525,1348 8.426,1349 141.7,1350 141.7,1351 23,1352 12.776,1353 4.459,1354 3.7,1355 80.205,1356 319,1357 290,1358 0.118,1359 298.582,1360 540.66,1361 720.299,1362 76705,1364 30.062,1365 0.716,1366 0.566,1367 30.062,1368 23.76,1369 20.228,1370 0.45,1371 0.308,1372 13.639,1373 19.328,1374 13.323,1375 11.105,1376 20.228,1377 13.863,1378 18.032,1379 0.296,1380 0.166,1381 18.032,1382 10.146,1383 14.635,1384 0.193,1385 0.089,1386 14.635,1387 6.75,1388 11.519,1389 0.121,1390 0.048,1391 11.519,1392 4.577,1393 8.725,1394 0.077,1395 0.026,1396 8.725,1397 2.976,1398 0.201,1399 128.048,1400 0.184,1401 39.231,1402 0.286,1403 212,1404 701.105,1405 238.055,1406 659.138,1407 878.42,1408 612,1409 243,1410 631.533,1411 268.755,1412 632.576,1413 921.38,1414 592,1415 9.284}
{0 CHEMBL1085933,1 1.412,2 21.814,3 7.525,4 56.63,5 170.609,6 7.145,7 0.489,8 4.47,9 4.579,10 4.002,11 4.027,12 5.541,13 3.997,14 5.012,15 5.179,16 4.331,17 4.405,18 6.067,19 4.352,20 5.263,21 5.464,22 4.365,23 4.53,24 6.262,25 4.443,26 5.326,27 5.561,28 4.272,29 4.495,30 6.272,31 4.385,32 5.257,33 5.486,34 4.216,35 4.45,36 6.198,37 4.34,38 5.263,39 5.503,40 4.185,41 4.44,42 6.183,43 4.317,44 5.24,45 5.478,46 4.128,47 4.405,48 6.141,49 4.283,50 5.188,51 5.424,52 4.09,53 4.358,54 6.101,55 4.235,56 0.027,57 1.065,58 17.073,59 7.954,60 9.822,61 10.181,62 0.409,63 1.749,64 32.174,65 13.007,66 40.759,67 17.154,68 0.444,69 2.117,70 43.267,71 17.302,72 60.037,73 22.876,74 0.566,75 2.217,76 47.86,77 18.006,78 74.051,79 24.389,80 0.472,81 2.092,82 44.196,83 16.8,84 62.932,85 22.707,86 0.467,87 2.097,88 44.639,89 17.217,90 66.661,91 23.613,92 0.555,93 2.035,94 44.098,95 16.567,96 64.574,97 22.34,98 0.434,99 1.931,100 41.471,101 15.884,102 58.327,103 21.553,104 20,105 63,106 0.213,107 0.516,108 0.717,109 0.858,110 0.897,111 0.904,112 3.787,113 0.948,114 -5.43,115 -5.31,116 -4.96,121 44.4,123 5,126 2,127 3,137 1,140 1,144 14,145 5,146 3,159 1,161 1,176 22,179 1,180 11,183 2,187 26,191 1,192 11,200 20,205 1,206 13,211 2,214 15,218 1,219 9,224 2,227 15,231 1,232 9,237 1,239 16,243 1,244 7,247 1,251 17,255 1,256 8,264 18,269 7,274 1,277 15,281 4584,282 29.455,283 29.455,284 29.455,285 29.455,286 29.455,287 26.349,288 27.381,289 17.871,290 29.975,291 23.22,292 23.22,293 23.22,294 23.22,295 23.22,296 18.353,297 33.89,298 8.564,299 23.993,300 4.928,301 2.918,302 1.584,303 0.649,304 0.389,305 0.34,306 4.493,313 2042,314 4.796,317 119.669,318 601.724,321 215.399,322 237.097,325 3.315,326 35.264,329 0.5,330 0.67,331 0.67,332 0.7,333 0.5,334 0.67,335 0.5,336 0.6,337 92,338 938,339 4.533,340 3.728,341 6.694,342 4.169,343 3.189,344 4.346,345 2.186,346 10.796,347 3.127,348 4.4,349 3.66,350 6.184,351 3.918,352 2.919,353 4.122,354 0.916,355 9.233,356 2.917,357 4.105,358 2.984,359 5.681,360 3.723,361 2.761,362 3.688,363 0.86,364 7.996,365 2.661,366 3.921,367 2.943,368 5.663,369 3.481,370 2.518,371 3.4,372 0.86,373 7.644,374 2.427,375 3.672,376 2.923,377 5.315,378 3.38,379 2.451,380 3.029,381 0.366,382 6.815,383 2.261,384 3.644,385 2.632,386 5.29,387 3.253,388 2.272,389 2.886,390 0.172,391 6.808,392 2.223,393 3.378,394 2.612,395 5.081,396 3.123,397 2.167,398 2.515,400 5.806,401 2.055,402 3.265,403 2.379,404 4.862,405 2.877,406 1.899,407 2.5,409 5.594,410 1.85,411 3.118,412 2.172,413 4.744,414 2.805,415 1.827,416 2.427,418 4.934,419 1.771,420 3.09,421 2.014,422 4.585,423 2.713,424 1.739,425 2.183,427 4.814,428 1.684,429 3.041,430 1.842,431 4.411,432 2.623,433 1.676,434 2.175,436 4.356,437 1.618,438 2.881,439 1.618,440 3.857,441 2.618,442 1.618,443 2.057,445 3.679,446 1.569,447 2.823,448 1.546,449 3.632,450 2.399,451 1.404,452 1.833,454 3.007,455 1.396,456 2.658,457 1.432,458 3.576,459 2.355,460 1.379,461 1.725,463 2.893,464 1.34,465 2.501,466 1.366,467 3.517,468 2.179,469 1.187,470 1.443,472 2.606,473 1.175,474 20.467,475 0.476,476 0.865,477 0.02,478 54.75,479 1.273,480 28,481 0.651,482 26.75,483 0.622,484 39.293,485 0.914,486 46.133,487 0.57,488 44.808,489 1.042,490 10.823,491 0.252,492 10.156,493 0.236,494 0.081,496 0.288,501 0.762,502 1.231,503 0.815,504 1.112,505 0.588,506 0.99,507 0.859,508 0.969,509 0.919,510 0.982,511 0.545,512 0.952,513 1.01,514 1.043,515 0.968,516 1.043,517 0.761,518 1.009,519 1.036,520 0.965,521 0.963,522 0.954,523 0.972,524 0.949,525 1.05,526 0.989,527 1.01,528 0.991,529 0.992,530 0.994,531 0.844,532 1,533 0.942,534 1.005,535 0.816,536 0.99,537 1.109,538 0.895,539 1.046,540 0.945,541 0.988,542 0.981,543 1,544 0.999,545 1.011,546 1.017,547 0.942,548 1.018,549 8,550 0.196,551 3.333,552 2.889,553 1.711,554 1.188,555 0.752,556 0.574,557 0.392,558 0.206,559 43834,560 109366,561 2.1,562 46.9,563 6,564 27,567 1,569 4,572 1.806,573 2,574 4.363,575 -0.462,582 114.38,583 1.412,584 3.422,585 4.756,586 5.691,587 5.951,588 6,589 3.833,590 5.333,591 5.399,592 4.583,593 4138.42,594 9.488,595 89470.8,600 513.528,601 1.254,602 5.373,603 0.17,604 0.005,605 0.053,606 0.046,607 0.031,608 0.022,609 0.015,610 0.012,611 0.009,612 0.005,613 0.368,614 0.17,615 0.63,616 0.823,617 260.795,618 -0.006,619 -0.1,620 0.058,621 -0.048,622 -0.02,623 0.005,624 0.105,625 0.123,626 0.024,627 0.025,628 0.13,629 0.02,630 0.009,631 -0.049,632 0.005,633 -0.035,634 0.074,635 -0.019,636 -0.004,637 0.008,638 0.037,639 0.029,640 0.017,641 0.038,642 -0.048,643 -0.001,644 -0.019,645 -0.007,646 -0.032,647 -0.008,648 0.044,649 -0.028,650 0.042,651 -0.015,652 0.051,653 0.009,654 -0.064,655 0.08,656 -0.044,657 0.034,658 -0.067,659 0.002,660 -0.03,661 -0.029,662 -0.02,663 -0.03,664 -0.016,665 -0.025,666 2.131,667 5.898,668 0.581,669 73.931,670 0.997,671 1.117,672 4.198,673 17.624,674 0.667,675 3.871,676 4.159,677 4.394,678 4.644,679 4.852,680 4.913,681 5.043,682 5.182,683 5.226,684 5.273,685 12.522,686 0.631,687 578.76,688 3.871,689 5.398,690 6.229,691 7.088,692 7.936,693 8.804,694 9.662,695 10.536,696 11.401,697 12.281,698 2.5,701 1,705 1,714 2,715 14,720 6,722 23,727 1,737 1,739 2,741 81,743 26,744 4,745 47,747 85,748 36,749 22,750 8,751 14,752 3,756 5,757 7,770 5,772 26,773 10,777 3,782 2,784 1,786 3,793 38,794 7,795 1,796 7,802 2,808 0.6,809 5,828 1,829 4,832 1,833 1,849 2,855 1,859 3,864 2,868 43,876 8,877 1,878 3,881 1,893 6.2,896 2,898 3,901 21.5,902 15.033,903 9.611,904 5.074,907 5.017,908 1.566,909 0.98,910 10.618,911 13.879,912 4.135,913 4.696,914 5.251,915 5.82,916 6.383,917 6.655,918 7.058,919 7.481,920 7.842,921 8.096,922 1,923 63,924 15.936,926 6.666,927 0.026,929 7.671,931 30.772,933 24.98,936 2.171,937 93.333,941 435.531,942 227.985,943 21.135,945 83.29,948 227.985,949 518.82,950 21.135,951 16.793,952 39.487,953 142.144,954 60.667,955 66.557,956 6.763,957 435.531,959 435.531,960 249.12,961 83.29,964 388.446,965 130.374,968 42.612,969 191.789,970 14.72,972 435.531,973 104.425,974 227.985,977 435.531,978 69.049,979 162.061,980 18.011,981 83.29,982 435.531,983 104.425,984 227.985,986 0.569,987 0.323,988 0.172,989 0.094,990 27,991 12,992 0.165,993 14,994 2,995 1.16,996 5.611,997 398.504,998 0.16,999 25,1000 231.329,1005 30.495,1006 14.972,1007 8.545,1008 2.281,1009 104.425,1010 27.317,1015 4.41,1017 18.011,1018 767.941,1019 61.5,1024 24.327,1026 1.801,1028 -0.242,1031 80.745,1032 90.517,1034 0.223,1035 0.54,1036 0.75,1037 0.898,1038 0.939,1039 0.946,1040 5.355,1041 1.899,1042 6.184,1043 5.806,1044 4.844,1045 5.384,1046 2.639,1047 6.94,1048 4.784,1049 6.538,1050 1.827,1051 7.703,1052 5.594,1053 4.29,1054 5.103,1055 1.847,1056 7.7,1057 4.204,1058 7.825,1059 1.739,1060 9.319,1061 4.934,1062 6.382,1063 7.544,1064 3.582,1065 10.802,1066 6.271,1067 9.148,1068 1.676,1069 10.995,1070 4.814,1071 6.661,1072 8.1,1073 3.603,1074 12.432,1075 6.53,1076 10.504,1077 1.618,1078 12.711,1079 4.356,1080 8.189,1081 10.009,1082 4.922,1083 15.038,1084 8.04,1085 11.885,1086 1.404,1087 14.456,1088 3.679,1089 8.887,1090 10.986,1091 5.291,1092 17.065,1093 8.725,1094 13.285,1095 1.379,1096 16.223,1097 3.007,1098 10.173,1099 12.655,1100 6.39,1101 19.5,1102 9.998,1103 3.189,1104 1.187,1105 18.008,1106 2.893,1107 11.088,1108 13.853,1109 6.93,1110 21.71,1111 10.9,1112 2.919,1113 10.796,1114 19.808,1115 2.606,1116 12.271,1117 15.406,1118 7.902,1119 24.088,1120 12.072,1121 2.761,1122 9.233,1123 21.621,1124 4.346,1125 13.295,1126 16.722,1127 8.539,1128 26.382,1129 13.083,1130 2.518,1131 7.996,1132 23.445,1133 4.122,1134 14.439,1135 18.218,1136 9.436,1137 28.746,1138 14.214,1139 2.451,1140 7.644,1141 25.278,1142 3.688,1143 15.517,1144 19.597,1145 10.13,1146 31.079,1147 15.279,1148 2.272,1149 6.815,1150 27.12,1151 3.4,1152 16.649,1153 21.067,1154 10.981,1155 33.442,1156 16.398,1157 2.167,1158 6.808,1159 28.968,1160 3.029,1161 17.755,1162 22.479,1163 11.71,1164 35.794,1165 17.489,1166 40963,1167 64924,1168 31.898,1169 53.989,1170 68.64,1171 71.199,1172 70.272,1173 68.26,1174 68.272,1175 88.543,1176 10.723,1177 187.764,1178 66.213,1179 5.497,1180 5.728,1181 6.585,1182 5.253,1183 5.189,1184 7.346,1185 3.889,1186 17.882,1187 5.127,1188 19.529,1189 1.46,1190 1.515,1191 1.495,1192 1.452,1193 1.453,1194 1.884,1195 0.228,1196 3.995,1197 1.409,1198 4.107,1199 4.124,1200 4.063,1201 4.062,1202 7.435,1203 4.059,1204 3.978,1205 3.992,1206 3.941,1207 3.894,1208 7.427,1209 3.904,1210 3.939,1211 3.964,1212 3.878,1213 3.856,1214 4.954,1215 3.856,1216 3.77,1217 3.828,1218 3.623,1219 3.642,1220 4.865,1221 3.627,1222 3.621,1223 3.677,1224 3.53,1225 3.506,1226 4.813,1227 3.504,1228 3.562,1229 3.6,1230 3.467,1231 3.408,1232 4.575,1233 3.404,1234 3.517,1235 3.58,1236 3.401,1237 3.234,1238 4.332,1239 3.264,1240 3.387,1241 3.447,1242 3.284,1243 3.207,1244 4.321,1245 3.231,1246 0.096,1247 0.079,1248 0.142,1249 0.089,1250 0.068,1251 4.533,1252 0.092,1253 3.728,1254 0.047,1255 6.694,1256 0.23,1257 4.169,1258 0.067,1259 3.189,1260 4.346,1261 2.186,1262 10.796,1263 3.127,1264 2.078,1265 2.06,1266 2.161,1267 2.128,1268 1.392,1269 2.14,1270 1.912,1271 1.885,1272 2.052,1273 2.028,1274 1.292,1275 2.035,1276 1.869,1277 1.856,1278 2.008,1279 1.977,1280 1.209,1281 1.983,1282 1.773,1283 1.714,1284 1.944,1285 1.92,1286 1.111,1287 1.935,1288 1.606,1289 1.586,1290 1.831,1291 1.794,1292 1.056,1293 1.806,1294 1.574,1295 1.505,1296 1.728,1297 1.727,1298 0.855,1299 1.718,1300 1.405,1301 1.337,1302 1.692,1303 1.715,1304 0.805,1305 1.713,1306 1.352,1307 1.294,1308 1.658,1309 1.588,1310 0.683,1311 1.616,1312 4.554,1314 5.849,1315 2.398,1316 7.328,1317 4.844,1318 8.897,1319 7.018,1320 10.516,1322 3.651,1328 7.928,1329 2.459,1330 17.119,1333 2.283,1340 51.099,1341 114.38,1342 277.149,1343 385.231,1344 460.999,1345 482.018,1346 486.018,1347 83.452,1348 8.862,1349 81.01,1350 81.01,1351 29,1352 12.821,1353 4.755,1354 3.954,1355 72.407,1356 332,1357 306,1358 0.101,1359 311.714,1360 554.95,1361 752.342,1362 133643,1364 30.02,1365 0.698,1366 0.577,1367 30.02,1368 24.806,1369 20.979,1370 0.446,1371 0.316,1372 14.675,1373 20.276,1374 14.296,1375 11.935,1376 20.979,1377 14.853,1378 18.365,1379 0.292,1380 0.172,1381 18.365,1382 10.845,1383 15.078,1384 0.188,1385 0.093,1386 15.078,1387 7.431,1388 12.373,1389 0.12,1390 0.05,1391 12.373,1392 5.166,1393 9.918,1394 0.078,1395 0.027,1396 9.918,1397 3.491,1398 0.173,1399 130.823,1400 0.177,1401 40.038,1402 0.246,1403 220,1404 630.656,1405 239.743,1406 602.672,1407 825.01,1408 566,1409 253,1410 606.442,1411 272.222,1412 613.13,1413 894.26,1414 576,1415 8.68}
{0 CHEMBL1085938,1 1.478,2 21.19,3 6.485,4 42.055,5 162.067,6 7.184,7 0.4,8 4.461,9 4.568,10 3.972,11 3.969,12 5.596,13 3.95,14 4.99,15 5.157,16 4.31,17 4.354,18 6.095,19 4.308,20 5.26,21 5.451,22 4.38,23 4.489,24 6.403,25 4.415,26 5.358,27 5.591,28 4.279,29 4.465,30 6.421,31 4.367,32 5.274,33 5.5,34 4.195,35 4.437,36 6.264,37 4.327,38 5.29,39 5.538,40 4.195,41 4.442,42 6.223,43 4.317,44 5.281,45 5.515,46 4.168,47 4.394,48 6.35,49 4.278,50 5.222,51 5.468,52 4.067,53 4.32,54 6.229,55 4.191,56 0.101,57 1.064,58 17.249,59 7.845,60 20.016,61 9.848,62 0.443,63 1.705,64 31.609,65 12.68,66 43.285,67 16.765,68 0.611,69 2.062,70 43.28,71 16.717,72 97.946,73 22.15,74 0.816,75 2.168,76 50.429,77 17.516,78 126.944,79 23.905,80 0.652,81 2.061,82 45.405,83 16.524,84 89.374,85 22.565,86 0.537,87 2.098,88 46.141,89 17.322,90 79.288,91 24.359,92 0.865,93 2.022,94 46.467,95 16.531,96 126.509,97 22.7,98 0.63,99 1.904,100 43.71,101 15.78,102 99.817,103 22.053,104 53,105 61,106 0.225,107 0.558,108 0.758,109 0.86,110 0.891,111 0.891,112 3.764,113 0.944,114 -3.8,115 -3.77,116 -3.58,121 41.3,123 6,126 2,127 3,137 1,138 1,144 9,145 4,146 5,159 1,161 1,176 18,179 1,180 9,183 2,185 2,187 20,192 12,196 2,197 4,200 14,206 11,210 1,211 7,214 12,218 1,219 8,224 5,227 14,231 1,232 4,237 4,239 15,243 1,244 2,247 3,249 5,251 14,255 1,256 4,259 1,261 6,264 13,269 3,274 5,277 11,281 4226,282 28.093,283 28.093,284 28.093,285 28.093,286 28.093,287 25.373,288 31.75,289 16.822,290 28.602,291 22.157,292 22.157,293 22.157,294 22.157,295 22.157,296 17.888,297 38.085,298 8.03,299 22.945,300 4.844,301 2.656,302 1.344,303 0.672,304 0.469,305 0.469,306 4.456,312 1,313 1891,314 4.848,317 121.03,318 482.977,321 217.842,325 3.19,326 51.581,329 0.75,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.71,337 92,338 890,339 4.533,340 3.704,341 6.694,342 4.201,343 3.191,344 4.153,345 2.186,346 10.797,347 3.224,348 4.359,349 3.66,350 6.31,351 3.937,352 2.977,353 4.045,354 0.916,355 9.31,356 2.852,357 4.105,358 3.219,359 5.681,360 3.723,361 2.761,362 3.688,363 0.86,364 7.996,365 2.661,366 3.901,367 2.984,368 5.663,369 3.478,370 2.512,371 3.346,372 0.68,373 7.62,374 2.426,375 3.672,376 2.931,377 5.317,378 3.38,379 2.451,380 2.916,381 0.366,382 6.815,383 2.261,384 3.585,385 2.632,386 5.29,387 3.204,388 2.235,389 2.886,390 0.172,391 6.766,392 2.157,393 3.378,394 2.558,395 5.084,396 3.123,397 2.167,398 2.515,400 5.775,401 2.055,402 3.232,403 2.383,404 4.879,405 2.875,406 1.887,407 2.481,409 5.594,410 1.854,411 3.224,412 2.232,413 4.862,414 2.816,415 1.879,416 2.431,418 5.225,419 1.783,420 3.09,421 2.172,422 4.745,423 2.805,424 1.82,425 2.175,427 4.928,428 1.749,429 3.025,430 1.976,431 4.585,432 2.713,433 1.736,434 2.16,436 4.814,437 1.686,438 2.824,439 1.837,440 3.857,441 2.677,442 1.669,443 1.833,445 3.679,446 1.679,447 2.658,448 1.543,449 3.606,450 2.357,451 1.384,452 1.725,454 2.894,455 1.342,456 2.499,457 1.385,458 3.519,459 2.179,460 1.187,461 1.442,463 2.606,464 1.175,465 2.39,466 1.278,467 3.473,468 1.933,469 0.931,470 1.282,472 2.221,473 0.924,474 19.633,475 0.467,476 1.03,477 0.025,478 51,479 1.214,480 25,481 0.595,482 26,483 0.619,484 40.162,485 0.956,486 46.967,487 0.587,488 43.888,489 1.045,490 10.098,491 0.24,492 10.13,493 0.241,494 0.136,496 0.326,501 0.872,502 1.239,503 0.854,504 1.111,505 0.782,506 0.998,507 0.732,508 1.002,509 0.873,510 1.013,511 0.524,512 0.965,513 0.878,514 1.142,515 0.965,516 1.144,517 0.707,518 1.085,519 1.046,520 0.956,521 0.98,522 0.943,523 0.977,524 0.948,525 0.954,526 1.007,527 1.046,528 1.018,529 0.879,530 1.045,531 0.607,532 1.027,533 0.863,534 1.037,535 0.62,536 1.005,537 0.868,538 0.944,539 1.008,540 1,541 0.775,542 1.027,543 0.754,544 1.038,545 0.95,546 1.061,547 0.722,548 1.048,549 9,550 0.218,551 3.778,552 3.451,553 1.76,554 1.271,555 0.814,556 0.705,557 0.391,558 0.262,559 38924,560 110452,561 2.02,562 47.5,563 8,564 22,567 4,569 4,572 1.801,573 1.881,574 4.311,575 1.368,582 118.217,583 1.478,584 3.665,585 4.978,586 5.65,587 5.853,588 5.853,589 3.74,590 5.107,591 5.366,592 4.545,593 3913.31,594 9.421,595 83016.2,600 505.754,601 1.443,602 5.316,603 0.2,604 0.007,605 0.062,606 0.056,607 0.032,608 0.025,609 0.016,610 0.015,611 0.009,612 0.007,613 0.428,614 0.17,615 0.75,616 0.944,617 252.895,618 -0.081,619 -0.041,620 0.017,621 0.018,622 -0.083,623 0.033,624 0.073,625 0.132,626 0.043,627 0.041,628 0.094,629 0.043,630 0.046,631 -0.118,632 -0.012,633 -0.108,634 0.117,635 -0.077,636 -0.055,637 0.012,638 0.015,639 0.038,640 0.009,641 0.04,642 -0.08,643 -0.007,644 -0.079,645 -0.017,646 -0.063,647 -0.044,648 0.071,649 -0.047,650 0.084,651 -0.03,652 0.05,653 0.021,654 0.053,655 0.033,656 -0.026,657 -0.014,658 0.084,659 -0.032,660 0.056,661 -0.074,662 0.021,663 -0.071,664 0.078,665 -0.039,666 2.252,667 5.822,668 0.5,669 69.946,670 1.005,671 1.124,672 2.574,673 6.628,674 0.649,675 3.829,676 4.127,677 4.344,678 4.564,679 4.736,680 4.82,681 4.913,682 5.03,683 5.043,684 5.088,685 12.263,686 0.619,687 574.73,688 3.829,689 5.361,690 6.188,691 7.048,692 7.893,693 8.762,694 9.617,695 10.493,696 11.355,697 12.236,698 2.5,701 1,705 1,715 9,720 9,722 18,727 1,737 1,738 3,739 1,741 80,743 21,744 3,745 45,747 83,748 33,749 18,750 9,751 9,752 3,756 4,757 5,767 1,770 6,772 22,773 11,777 3,782 2,784 1,786 3,793 38,794 9,795 4,796 9,802 2,808 0.75,809 7,828 1,829 3,832 1,849 1,850 1,855 1,859 3,864 2,868 42,875 3,876 9,877 1,878 2,881 1,893 8.8,895 3,896 2,898 2,901 22.333,902 14.55,903 9.389,904 4.842,907 3.776,908 1.448,909 0.923,910 11.293,911 12.202,912 4.06,913 4.61,914 5.116,915 5.633,916 6.14,917 6.379,918 6.675,919 7.022,920 7.281,921 7.605,922 0.929,923 62,924 15.611,926 6.619,927 0.026,929 7.905,931 29.518,933 23.87,936 2.405,937 101,941 400.217,942 173.877,943 21.135,945 200.34,948 173.877,949 600.557,950 21.135,951 16.793,952 42.022,953 94.762,954 183.473,955 51.539,956 6.763,957 400.217,959 400.217,960 195.012,961 200.34,964 353.133,965 247.424,968 45.146,969 140.39,970 9.476,972 400.217,973 221.475,974 173.877,977 400.217,978 62.322,979 114.68,980 18.011,981 200.34,982 400.217,983 221.475,984 173.877,986 0.575,987 0.327,988 0.166,989 0.087,990 25,991 13,992 0.169,993 14,994 1,995 1.095,996 5.393,997 379.742,998 0.095,999 21,1000 220.477,1005 31.417,1006 15.097,1007 8.988,1009 221.475,1010 15.668,1015 2.822,1017 146.061,1018 795.569,1019 57,1024 24.233,1026 1.613,1028 -0.034,1031 80.4,1032 89.936,1034 0.234,1035 0.58,1036 0.787,1037 0.894,1038 0.926,1039 0.926,1040 5.296,1041 1.887,1042 6.163,1043 5.775,1044 4.812,1045 5.298,1046 2.598,1047 6.93,1048 4.75,1049 6.486,1050 1.879,1051 7.698,1052 5.594,1053 4.369,1054 5.103,1055 1.847,1056 7.722,1057 4.273,1058 7.781,1059 1.82,1060 9.33,1061 5.225,1062 6.368,1063 7.426,1064 3.563,1065 10.814,1066 6.259,1067 9.109,1068 1.736,1069 11.019,1070 4.928,1071 6.723,1072 8.015,1073 3.603,1074 12.437,1075 6.593,1076 10.468,1077 1.669,1078 12.744,1079 4.814,1080 8.195,1081 9.846,1082 4.918,1083 15.056,1084 8.06,1085 11.85,1086 1.384,1087 14.496,1088 3.679,1089 8.94,1090 10.814,1091 5.291,1092 17.07,1093 8.802,1094 13.25,1095 1.187,1096 16.269,1097 2.894,1098 10.198,1099 12.433,1100 6.389,1101 19.518,1102 10.061,1103 3.191,1104 0.931,1105 18.06,1106 2.606,1107 11.14,1108 13.6,1109 6.93,1110 21.718,1111 11.011,1112 2.977,1113 10.797,1114 19.864,1115 2.221,1116 12.312,1117 15.114,1118 7.902,1119 24.105,1120 12.189,1121 2.761,1122 9.31,1123 21.681,1124 4.153,1125 13.351,1126 16.388,1127 8.539,1128 26.393,1129 13.242,1130 2.512,1131 7.996,1132 23.508,1133 4.045,1134 14.491,1135 17.849,1136 9.436,1137 28.761,1138 14.393,1139 2.451,1140 7.62,1141 25.344,1142 3.688,1143 15.578,1144 19.182,1145 10.13,1146 31.091,1147 15.496,1148 2.235,1149 6.815,1150 27.188,1151 3.346,1152 16.709,1153 20.616,1154 10.981,1155 33.455,1156 16.642,1157 2.167,1158 6.766,1159 29.039,1160 2.916,1161 17.821,1162 21.982,1163 11.71,1164 35.805,1165 17.771,1166 37314,1167 63190,1168 29.531,1169 51.898,1170 65.799,1171 68.651,1172 67.957,1173 65.439,1174 65.451,1175 82.365,1176 10.363,1177 182.263,1178 63.273,1179 5.497,1180 5.704,1181 6.585,1182 5.26,1183 5.191,1184 7.153,1185 3.889,1186 17.884,1187 5.224,1188 25.469,1189 1.462,1190 1.526,1191 1.51,1192 1.454,1193 1.454,1194 1.83,1195 0.23,1196 4.05,1197 1.406,1198 4.064,1199 4.079,1200 4.022,1201 4.001,1202 7.435,1203 4.003,1204 3.941,1205 3.972,1206 3.879,1207 3.859,1208 7.427,1209 3.858,1210 3.889,1211 3.897,1212 3.851,1213 3.81,1214 6.562,1215 3.817,1216 3.771,1217 3.829,1218 3.622,1219 3.644,1220 6.446,1221 3.628,1222 3.613,1223 3.676,1224 3.501,1225 3.431,1226 6.383,1227 3.436,1228 3.528,1229 3.586,1230 3.445,1231 3.361,1232 4.839,1233 3.362,1234 3.481,1235 3.518,1236 3.373,1237 3.216,1238 4.807,1239 3.257,1240 3.337,1241 3.411,1242 3.164,1243 3.151,1244 4.502,1245 3.145,1246 0.101,1247 0.082,1248 0.149,1249 0.093,1250 0.071,1251 4.533,1252 0.092,1253 3.704,1254 0.049,1255 6.694,1256 0.24,1257 4.201,1258 0.072,1259 3.191,1260 4.153,1261 2.186,1262 10.797,1263 3.224,1264 1.912,1265 1.891,1266 2.053,1267 2.028,1268 1.392,1269 2.035,1270 1.902,1271 1.885,1272 2.011,1273 1.996,1274 1.211,1275 1.993,1276 1.889,1277 1.874,1278 1.982,1279 1.985,1280 1.17,1281 1.985,1282 1.774,1283 1.714,1284 1.962,1285 1.923,1286 1.106,1287 1.944,1288 1.577,1289 1.523,1290 1.833,1291 1.795,1292 1.08,1293 1.807,1294 1.537,1295 1.506,1296 1.692,1297 1.726,1298 0.858,1299 1.716,1300 1.405,1301 1.337,1302 1.662,1303 1.674,1304 0.828,1305 1.666,1306 1.351,1307 1.27,1308 1.655,1309 1.589,1310 0.683,1311 1.617,1312 4.511,1314 5.814,1315 2.398,1316 7.294,1317 4.844,1318 8.86,1319 7.018,1320 10.477,1322 3.622,1327 29.028,1328 8.187,1329 2.447,1330 11.15,1333 2.264,1340 49.529,1341 118.217,1342 293.237,1343 398.231,1344 451.98,1345 468.244,1346 468.244,1347 117.699,1348 8.426,1349 128.56,1350 128.56,1351 23,1352 12.776,1353 4.459,1354 3.7,1355 80.205,1356 319,1357 290,1358 0.118,1359 304.178,1360 549.17,1361 733.953,1362 76705,1364 30.062,1365 0.716,1366 0.573,1367 30.062,1368 24.059,1369 20.228,1370 0.45,1371 0.315,1372 13.966,1373 19.445,1374 13.608,1375 11.344,1376 20.228,1377 14.162,1378 18.032,1379 0.296,1380 0.173,1381 18.032,1382 10.543,1383 14.635,1384 0.193,1385 0.094,1386 14.635,1387 7.145,1388 11.519,1389 0.121,1390 0.052,1391 11.519,1392 4.973,1393 8.725,1394 0.077,1395 0.029,1396 8.725,1397 3.259,1398 0.201,1399 127.232,1400 0.184,1401 39.231,1402 0.286,1403 212,1404 657.369,1405 233.847,1406 625.081,1407 831.86,1408 580,1409 243,1410 592.26,1411 263.993,1412 599.099,1413 869.5,1414 560,1415 8.745}
{0 CHEMBL1085939,1 1.502,2 21.884,3 6.078,4 36.936,5 163.406,6 7.293,7 0.391,8 4.48,9 4.582,10 4.003,11 3.967,12 5.627,13 3.958,14 5.008,15 5.169,16 4.338,17 4.34,18 6.132,19 4.308,20 5.274,21 5.458,22 4.432,23 4.487,24 6.436,25 4.43,26 5.375,27 5.597,28 4.345,29 4.467,30 6.493,31 4.385,32 5.293,33 5.515,34 4.24,35 4.449,36 6.292,37 4.347,38 5.319,39 5.559,40 4.231,41 4.431,42 6.275,43 4.323,44 5.286,45 5.513,46 4.206,47 4.378,48 6.399,49 4.273,50 5.228,51 5.466,52 4.094,53 4.312,54 6.262,55 4.196,56 0.135,57 1.075,58 17.274,59 7.889,60 21.794,61 9.739,62 0.536,63 1.701,64 32.094,65 12.572,66 47.796,67 16.344,68 0.714,69 2.062,70 43.717,71 16.617,72 101.923,73 21.754,74 1.146,75 2.164,76 51.563,77 17.368,78 143.849,79 23.498,80 0.72,81 2.084,82 46.047,83 16.7,84 92.363,85 22.755,86 0.745,87 2.095,88 48.09,89 17.178,90 90.405,91 23.853,92 1.155,93 1.992,94 47.033,95 16.224,96 144.735,97 22.207,98 0.897,99 1.877,100 44.458,101 15.461,102 113.164,103 21.414,104 53,105 62,106 0.228,107 0.557,108 0.765,109 0.866,110 0.892,111 0.892,112 3.787,113 0.933,114 -2.68,115 -2.7,116 -2.62,121 40.7,123 5,126 2,127 4,137 1,138 1,144 9,145 3,146 6,159 1,161 1,176 14,179 1,180 12,183 2,185 2,187 15,192 11,196 2,197 4,200 9,205 2,206 12,210 1,211 7,214 8,218 1,219 9,224 5,227 11,231 1,232 5,237 2,239 12,243 1,244 3,247 5,249 2,251 13,255 1,256 4,259 2,261 3,264 10,269 6,274 6,277 8,281 4559,282 28.8,283 28.8,284 28.8,285 28.8,286 28.8,287 26.08,288 32.018,289 17.265,290 29.421,291 22.64,292 22.64,293 22.64,294 22.64,295 22.64,296 18.345,297 36.957,298 8.223,299 23.61,300 4.838,301 2.672,302 1.303,303 0.639,304 0.463,305 0.463,306 4.479,312 1,313 1996,314 4.848,318 634.3,322 241.19,325 3.38,326 56.159,329 0.75,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.71,337 95,338 941,339 4.486,340 3.68,341 6.639,342 4.133,343 3.138,344 4.118,345 2.186,346 10.566,347 3.125,348 4.359,349 3.66,350 6.311,351 3.937,352 2.977,353 4.036,354 1.151,355 9.314,356 2.852,357 4.105,358 3.219,359 5.772,360 3.723,361 2.761,362 3.688,363 0.916,364 7.996,365 2.661,366 3.953,367 2.984,368 5.681,369 3.535,370 2.564,371 3.393,372 0.86,373 7.929,374 2.481,375 3.672,376 2.98,377 5.313,378 3.38,379 2.451,380 2.924,381 0.366,382 6.815,383 2.261,384 3.593,385 2.649,386 5.29,387 3.213,388 2.253,389 2.886,390 0.172,391 6.774,392 2.159,393 3.378,394 2.632,395 5.131,396 3.123,397 2.167,398 2.536,400 6.05,401 2.055,402 3.306,403 2.482,404 4.879,405 2.941,406 1.974,407 2.515,409 5.594,410 1.894,411 3.232,412 2.232,413 4.862,414 2.832,415 1.879,416 2.481,418 5.225,419 1.814,420 3.09,421 2.172,422 4.658,423 2.816,424 1.846,425 2.175,427 4.814,428 1.749,429 3.025,430 2.113,431 4.585,432 2.72,433 1.746,434 2.147,436 4.77,437 1.691,438 2.826,439 1.858,440 3.858,441 2.666,442 1.724,443 1.834,445 3.681,446 1.606,447 2.658,448 1.595,449 3.646,450 2.361,451 1.39,452 1.725,454 2.901,455 1.345,456 2.52,457 1.496,458 3.52,459 2.179,460 1.187,461 1.457,463 2.606,464 1.175,465 2.395,466 1.278,467 3.474,468 1.986,469 0.984,470 1.327,472 2.35,473 0.976,474 19.967,475 0.464,476 1.03,477 0.024,478 52.5,479 1.221,480 25.5,481 0.593,482 27,483 0.628,484 40.746,485 0.948,486 48.433,487 0.598,488 46.103,489 1.072,490 10.499,491 0.244,492 10.229,493 0.238,494 0.134,496 0.321,501 0.885,502 1.276,503 0.837,504 1.146,505 0.79,506 1.005,507 0.828,508 1.014,509 0.879,510 1.018,511 0.556,512 0.957,513 0.913,514 1.152,515 0.941,516 1.148,517 0.719,518 1.068,519 1.023,520 0.946,521 0.976,522 0.933,523 0.998,524 0.943,525 0.892,526 1.046,527 1.02,528 1.057,529 0.861,530 1.064,531 0.774,532 1.017,533 0.907,534 1.023,535 0.676,536 0.999,537 0.824,538 0.933,539 0.998,540 0.99,541 0.748,542 1.026,543 0.821,544 0.985,545 0.978,546 1.008,547 0.76,548 1.027,549 9,550 0.219,551 4,552 3.063,553 2.244,554 1.069,555 0.971,556 0.622,557 0.46,558 0.255,559 41816,560 121748,561 2.02,562 46.9,563 6,564 24,567 4,569 4,572 1.806,573 1.883,574 4.351,575 1.372,582 121.642,583 1.502,584 3.668,585 5.037,586 5.701,587 5.877,588 5.877,589 3.824,590 5.24,591 5.399,592 4.592,593 4146.38,594 9.484,595 89928.9,600 513.528,601 1.431,602 5.352,603 0.196,604 0.006,605 0.065,606 0.047,607 0.039,608 0.02,609 0.019,610 0.013,611 0.01,612 0.007,613 0.421,614 0.17,615 0.63,616 0.931,617 261.019,618 -0.084,619 -0.071,620 0.021,621 -0.009,622 -0.088,623 0.022,624 0.035,625 0.119,626 0.04,627 0.033,628 0.083,629 0.042,630 0.028,631 -0.125,632 0.011,633 -0.11,634 0.115,635 -0.062,636 0.007,637 0.022,638 0.025,639 0.046,640 0.034,641 0.04,642 -0.063,643 -0.041,644 -0.063,645 -0.049,646 -0.054,647 -0.056,648 0.019,649 -0.045,650 0.058,651 -0.026,652 0.021,653 0.017,654 0.123,655 0.042,656 -0.01,657 -0.007,658 0.129,659 -0.033,660 0.053,661 -0.023,662 0.002,663 -0.022,664 0.064,665 -0.022,666 2.276,667 5.962,668 0.512,669 75.655,670 1.009,671 1.125,672 1.452,673 2.107,674 0.646,675 3.85,676 4.143,677 4.357,678 4.564,679 4.762,680 4.828,681 4.905,682 5.017,683 5.088,684 5.094,685 12.619,686 0.62,687 590.73,688 3.85,689 5.38,690 6.205,691 7.06,692 7.901,693 8.765,694 9.614,695 10.483,696 11.339,697 12.212,698 2.5,701 1,705 1,715 9,720 9,722 18,727 1,737 1,738 3,739 2,741 81,743 21,744 3,745 46,747 84,748 33,749 18,750 9,751 9,752 3,756 4,757 5,770 5,772 22,773 11,777 3,782 2,784 1,786 3,793 38,794 10,795 4,796 10,802 2,808 0.75,809 8,829 4,833 1,849 1,850 1,855 1,859 3,864 2,868 43,875 3,876 9,877 1,878 3,881 1,893 9.9,895 3,896 2,898 3,901 22.833,902 14.717,903 9.639,904 4.842,907 3.743,908 1.442,909 0.917,910 11.873,911 12.215,912 4.078,913 4.62,914 5.122,915 5.623,916 6.128,917 6.342,918 6.613,919 6.913,920 7.194,921 7.448,922 1,923 65,924 15.985,926 6.77,927 0.026,929 7.93,931 30.053,933 24.088,936 2.43,937 104.5,941 400.217,942 177.993,943 21.135,945 211.34,948 177.993,949 611.557,950 21.135,951 16.793,952 44.08,953 94.762,954 183.473,955 64.597,956 6.763,957 400.217,959 400.217,960 199.128,961 211.34,964 353.133,965 258.424,968 47.204,969 142.448,970 9.476,972 400.217,973 232.475,974 177.993,977 400.217,978 66.437,979 114.68,980 18.011,981 211.34,982 400.217,983 232.475,984 177.993,986 0.574,987 0.327,988 0.166,989 0.088,990 25,991 13,992 0.167,993 14,994 1,995 1.091,996 5.471,997 391.241,998 0.091,999 22,1000 227.329,1005 32.357,1006 15.778,1007 9.465,1009 232.475,1010 15.213,1015 1.923,1017 146.061,1018 810.685,1019 58,1024 24.374,1026 1.511,1028 -0.334,1031 81.727,1032 91.145,1034 0.237,1035 0.579,1036 0.795,1037 0.899,1038 0.927,1039 0.927,1040 5.311,1041 1.974,1042 6.176,1043 6.05,1044 4.828,1045 5.308,1046 2.719,1047 6.936,1048 4.75,1049 6.496,1050 1.879,1051 7.708,1052 5.594,1053 4.369,1054 5.103,1055 1.847,1056 7.722,1057 4.256,1058 7.789,1059 1.846,1060 9.336,1061 5.225,1062 6.378,1063 7.429,1064 3.647,1065 10.807,1066 6.239,1067 9.114,1068 1.746,1069 11.022,1070 4.814,1071 6.711,1072 8.01,1073 3.603,1074 12.406,1075 6.545,1076 10.469,1077 1.724,1078 12.744,1079 4.77,1080 8.188,1081 9.84,1082 4.95,1083 15.019,1084 8.005,1085 11.847,1086 1.39,1087 14.493,1088 3.681,1089 8.908,1090 10.798,1091 5.291,1092 16.994,1093 8.708,1094 13.242,1095 1.187,1096 16.263,1097 2.901,1098 10.166,1099 12.415,1100 6.399,1101 19.435,1102 9.953,1103 3.138,1104 0.984,1105 18.048,1106 2.606,1107 11.084,1108 13.57,1109 6.93,1110 21.594,1111 10.861,1112 2.977,1113 10.566,1114 19.847,1115 2.35,1116 12.249,1117 15.082,1118 7.905,1119 23.968,1120 12.016,1121 2.761,1122 9.314,1123 21.658,1124 4.118,1125 13.267,1126 16.344,1127 8.539,1128 26.218,1129 13.027,1130 2.564,1131 7.996,1132 23.478,1133 4.036,1134 14.396,1135 17.802,1136 9.437,1137 28.568,1138 14.15,1139 2.451,1140 7.929,1141 25.307,1142 3.688,1143 15.463,1144 19.124,1145 10.13,1146 30.864,1147 15.212,1148 2.253,1149 6.815,1150 27.143,1151 3.393,1152 16.58,1153 20.553,1154 10.982,1155 33.208,1156 16.325,1157 2.167,1158 6.774,1159 28.985,1160 2.924,1161 17.672,1162 21.909,1163 11.71,1164 35.528,1165 17.414,1166 40101,1167 68812,1168 30.224,1169 52.353,1170 67.199,1171 70.189,1172 69.157,1173 66.714,1174 66.734,1175 83.662,1176 11.304,1177 184.769,1178 63.985,1179 5.45,1180 5.68,1181 6.53,1182 5.223,1183 5.138,1184 7.118,1185 3.889,1186 17.811,1187 5.125,1188 25.901,1189 1.461,1190 1.526,1191 1.503,1192 1.45,1193 1.451,1194 1.819,1195 0.246,1196 4.017,1197 1.391,1198 4.034,1199 4.045,1200 3.993,1201 3.946,1202 7.435,1203 3.955,1204 3.938,1205 3.966,1206 3.877,1207 3.855,1208 7.427,1209 3.856,1210 3.891,1211 3.898,1212 3.853,1213 3.808,1214 6.562,1215 3.816,1216 3.769,1217 3.827,1218 3.621,1219 3.642,1220 6.446,1221 3.626,1222 3.615,1223 3.675,1224 3.513,1225 3.442,1226 6.383,1227 3.452,1228 3.539,1229 3.587,1230 3.458,1231 3.388,1232 4.898,1233 3.386,1234 3.506,1235 3.551,1236 3.387,1237 3.216,1238 4.813,1239 3.258,1240 3.347,1241 3.425,1242 3.173,1243 3.154,1244 4.569,1245 3.15,1246 0.098,1247 0.08,1248 0.144,1249 0.09,1250 0.068,1251 4.486,1252 0.09,1253 3.68,1254 0.048,1255 6.639,1256 0.23,1257 4.133,1258 0.068,1259 3.138,1260 4.118,1261 2.186,1262 10.566,1263 3.125,1264 1.96,1265 1.952,1266 2.054,1267 2.064,1268 1.392,1269 2.054,1270 1.911,1271 1.885,1272 2.033,1273 2.027,1274 1.21,1275 2.034,1276 1.857,1277 1.847,1278 2.003,1279 1.967,1280 1.172,1281 1.971,1282 1.775,1283 1.716,1284 1.931,1285 1.93,1286 1.105,1287 1.94,1288 1.583,1289 1.524,1290 1.835,1291 1.803,1292 1.039,1293 1.812,1294 1.492,1295 1.461,1296 1.692,1297 1.729,1298 0.858,1299 1.717,1300 1.404,1301 1.335,1302 1.666,1303 1.656,1304 0.797,1305 1.657,1306 1.344,1307 1.263,1308 1.623,1309 1.564,1310 0.683,1311 1.593,1312 4.533,1314 5.832,1316 7.315,1318 8.891,1320 10.521,1322 3.613,1327 28.965,1328 7.655,1329 2.444,1330 16.878,1333 2.257,1340 50.244,1341 121.642,1342 297.111,1343 408.005,1344 461.753,1345 476.018,1346 476.018,1347 123.745,1348 8.472,1349 137.79,1350 137.79,1351 24,1352 12.757,1353 4.459,1354 3.7,1355 83.295,1356 335,1357 306,1358 0.116,1359 308.174,1360 557.96,1361 743.704,1362 81572,1364 30.769,1365 0.716,1366 0.569,1367 30.769,1368 24.468,1369 20.728,1370 0.451,1371 0.311,1372 14.072,1373 19.819,1374 13.732,1375 11.442,1376 20.728,1377 14.301,1378 18.374,1379 0.296,1380 0.169,1381 18.374,1382 10.494,1383 14.937,1384 0.194,1385 0.091,1386 14.937,1387 7.024,1388 11.689,1389 0.123,1390 0.05,1391 11.689,1392 4.771,1393 9.028,1394 0.078,1395 0.027,1396 9.028,1397 3.172,1398 0.199,1399 131.14,1400 0.182,1401 40.038,1402 0.282,1403 216,1404 705.105,1405 241.39,1406 662.788,1407 880.66,1408 616,1409 247,1410 625.714,1411 271.98,1412 629.452,1413 915.1,1414 588,1415 8.008}
{0 CHEMBL1085940,1 1.465,2 21.884,3 6.941,4 48.18,5 166.668,6 7.093,7 0.391,8 4.494,9 4.603,10 3.994,11 4.001,12 5.615,13 3.979,14 5.028,15 5.198,16 4.328,17 4.387,18 6.116,19 4.336,20 5.312,21 5.508,22 4.422,23 4.544,24 6.432,25 4.466,26 5.408,27 5.638,28 4.333,29 4.527,30 6.469,31 4.426,32 5.347,33 5.576,34 4.237,35 4.501,36 6.327,37 4.385,38 5.344,39 5.591,40 4.222,41 4.49,42 6.266,43 4.36,44 5.338,45 5.581,46 4.19,47 4.444,48 6.371,49 4.317,50 5.282,51 5.528,52 4.092,53 4.37,54 6.283,55 4.238,56 0.09,57 1.103,58 18.157,59 8.189,60 19.237,61 10.389,62 0.432,63 1.77,64 33.203,65 13.274,66 43.217,67 17.704,68 0.599,69 2.176,70 45.896,71 17.736,72 98.314,73 23.709,74 0.783,75 2.288,76 52.729,77 18.528,78 126.273,79 25.332,80 0.678,81 2.203,82 49.042,83 17.78,84 97.219,85 24.41,86 0.552,87 2.203,88 48.754,89 18.23,90 80.616,91 25.628,92 0.845,93 2.137,94 49.32,95 17.618,96 127.758,97 24.496,98 0.709,99 2,100 46.729,101 16.588,102 110.909,103 23.116,104 53,105 62,106 0.222,107 0.551,108 0.757,109 0.862,110 0.892,111 0.892,112 3.787,113 0.956,114 -3.99,115 -3.94,116 -3.73,121 41,123 7,126 2,127 3,137 1,138 1,144 9,145 4,146 5,159 1,161 1,176 19,179 1,180 9,183 2,185 2,187 21,192 12,196 2,197 4,200 16,206 12,210 1,211 7,214 14,218 1,219 8,224 5,227 16,231 1,232 4,237 4,239 16,243 1,244 2,247 3,249 5,251 16,255 1,256 3,259 1,261 6,264 13,269 5,274 7,277 11,281 4559,282 28.8,283 28.8,284 28.8,285 28.8,286 28.8,287 26.08,288 30.182,289 17.265,290 29.309,291 22.64,292 22.64,293 22.64,294 22.64,295 22.64,296 18.345,297 31.511,298 8.223,299 23.428,300 4.91,301 2.731,302 1.368,303 0.672,304 0.476,305 0.476,306 4.479,312 1,313 1996,314 4.848,318 634.3,322 241.19,325 3.38,326 52.159,329 0.75,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.71,337 94,338 941,339 4.486,340 3.66,341 6.639,342 4.149,343 3.138,344 4.118,345 2.186,346 10.566,347 3.172,348 4.359,349 3.66,350 6.311,351 3.938,352 2.977,353 4.036,354 0.916,355 9.314,356 2.855,357 4.105,358 3.219,359 5.772,360 3.723,361 2.761,362 3.688,363 0.86,364 7.996,365 2.661,366 3.953,367 2.984,368 5.681,369 3.54,370 2.564,371 3.393,372 0.366,373 7.929,374 2.503,375 3.672,376 2.955,377 5.313,378 3.38,379 2.451,380 2.924,381 0.172,382 6.815,383 2.261,384 3.593,385 2.632,386 5.29,387 3.214,388 2.253,389 2.886,391 6.774,392 2.159,393 3.378,394 2.542,395 5.131,396 3.123,397 2.167,398 2.536,400 6.05,401 2.055,402 3.306,403 2.45,404 4.879,405 2.958,406 1.974,407 2.515,409 5.594,410 1.926,411 3.232,412 2.232,413 4.862,414 2.834,415 1.879,416 2.481,418 5.225,419 1.819,420 3.09,421 2.172,422 4.658,423 2.816,424 1.846,425 2.175,427 4.814,428 1.749,429 3.025,430 2.037,431 4.585,432 2.73,433 1.746,434 2.147,436 4.77,437 1.731,438 2.826,439 1.856,440 3.858,441 2.72,442 1.724,443 1.834,445 3.681,446 1.691,447 2.658,448 1.574,449 3.646,450 2.362,451 1.39,452 1.725,454 2.901,455 1.345,456 2.52,457 1.474,458 3.52,459 2.179,460 1.187,461 1.457,463 2.606,464 1.175,465 2.395,466 1.278,467 3.474,468 1.997,469 0.984,470 1.327,472 2.35,473 0.99,474 20.133,475 0.468,476 1.03,477 0.024,478 51.5,479 1.198,480 25,481 0.581,482 26.5,483 0.616,484 42.363,485 0.985,486 48.267,487 0.582,488 44.486,489 1.035,490 10.098,491 0.235,492 10.63,493 0.247,494 0.132,496 0.318,501 0.87,502 1.246,503 0.866,504 1.122,505 0.779,506 1.011,507 0.727,508 1.018,509 0.885,510 1.03,511 0.52,512 0.982,513 0.857,514 1.122,515 0.948,516 1.124,517 0.691,518 1.066,519 1.05,520 0.992,521 0.996,522 0.981,523 1.004,524 0.98,525 0.979,526 1.004,527 1.06,528 1.017,529 0.947,530 1.049,531 0.659,532 1.043,533 0.906,534 1.055,535 0.635,536 1.031,537 0.81,538 0.945,539 0.981,540 0.999,541 0.741,542 1.02,543 0.876,544 1.004,545 1.003,546 1.027,547 0.872,548 1.04,549 9,550 0.219,551 4,552 3.063,553 2.244,554 1.069,555 0.971,556 0.622,557 0.46,558 0.255,559 41816,560 116684,561 2.02,562 48.2,563 10,564 22,567 4,569 4,572 1.806,573 1.883,574 4.351,575 1.349,582 121.626,583 1.465,584 3.644,585 5.007,586 5.703,587 5.899,588 5.899,589 3.824,590 5.24,591 5.399,592 4.592,593 4146.38,594 9.484,595 89928.9,600 529.128,601 1.431,602 5.352,603 0.196,604 0.006,605 0.065,606 0.047,607 0.039,608 0.02,609 0.019,610 0.013,611 0.01,612 0.007,613 0.421,614 0.17,615 0.75,616 0.931,617 261.019,618 -0.077,619 -0.041,620 0.018,621 0.017,622 -0.077,623 0.032,624 0.076,625 0.118,626 0.038,627 0.03,628 0.097,629 0.032,630 0.052,631 -0.096,632 0.006,633 -0.085,634 0.121,635 -0.053,636 -0.054,637 -0.014,638 -0.005,639 0.006,640 0.003,641 0.009,642 -0.087,643 -0.006,644 -0.09,645 -0.017,646 -0.077,647 -0.049,648 0.051,649 -0.06,650 0.043,651 -0.047,652 0.034,653 -0.009,654 0.07,655 0.028,656 -0.004,657 -0.013,658 0.097,659 -0.021,660 0.011,661 -0.043,662 -0.023,663 -0.042,664 0.022,665 -0.041,666 2.245,667 6.042,668 0.512,669 75.655,670 1.003,671 1.125,672 2.758,673 7.604,674 0.646,675 3.85,676 4.143,677 4.357,678 4.564,679 4.762,680 4.828,681 4.905,682 5.017,683 5.088,684 5.094,685 12.619,686 0.615,687 588.76,688 3.85,689 5.38,690 6.205,691 7.06,692 7.901,693 8.765,694 9.614,695 10.483,696 11.339,697 12.212,698 2.4,701 1,705 1,715 9,720 9,722 18,727 1,737 1,738 3,739 1,741 83,743 21,744 3,745 46,747 86,748 34,749 18,750 9,751 9,752 3,756 4,757 5,767 2,770 7,772 22,773 12,777 3,782 2,784 1,786 3,793 40,794 9,795 4,796 9,802 2,808 0.75,809 7,829 4,833 1,849 1,850 1,855 1,859 3,864 2,868 43,875 3,876 10,877 1,878 2,881 1,893 8.4,895 3,896 2,898 2,901 22.833,902 15.05,903 9.639,904 5.092,907 3.743,908 1.442,909 0.922,910 11.908,911 12.215,912 4.078,913 4.62,914 5.122,915 5.623,916 6.128,917 6.342,918 6.613,919 6.913,920 7.194,921 7.448,922 1,923 65,924 15.994,926 6.764,927 0.026,929 7.884,931 30.335,933 24.537,936 2.384,937 102.5,941 423.76,942 176.411,943 21.135,945 200.34,948 176.411,949 624.099,950 21.135,951 16.793,952 44.556,953 94.762,954 183.473,955 51.539,956 6.763,957 423.76,959 423.76,960 197.547,961 200.34,964 376.675,965 247.424,968 47.681,969 140.39,970 9.476,972 423.76,973 221.475,974 176.411,977 423.76,978 64.856,979 114.68,980 18.011,981 200.34,982 423.76,983 221.475,984 176.411,986 0.574,987 0.327,988 0.166,989 0.088,990 25,991 13,992 0.163,993 14,994 1,995 1.091,996 5.471,997 391.241,998 0.091,999 22,1000 227.329,1005 32.396,1006 15.806,1007 9.485,1009 221.475,1010 15.78,1015 2.979,1017 146.061,1018 821.646,1019 58,1024 24.459,1026 1.636,1028 0.019,1031 83.283,1032 93.351,1034 0.23,1035 0.572,1036 0.785,1037 0.895,1038 0.925,1039 0.925,1040 5.311,1041 1.974,1042 6.176,1043 6.05,1044 4.828,1045 5.308,1046 2.527,1047 6.936,1048 4.767,1049 6.496,1050 1.879,1051 7.708,1052 5.594,1053 4.369,1054 5.103,1055 1.847,1056 7.722,1057 4.273,1058 7.789,1059 1.846,1060 9.336,1061 5.225,1062 6.378,1063 7.429,1064 3.551,1065 10.807,1066 6.27,1067 9.114,1068 1.746,1069 11.022,1070 4.814,1071 6.711,1072 8.01,1073 3.603,1074 12.406,1075 6.579,1076 10.469,1077 1.724,1078 12.744,1079 4.77,1080 8.188,1081 9.84,1082 4.916,1083 15.019,1084 8.052,1085 11.847,1086 1.39,1087 14.493,1088 3.681,1089 8.908,1090 10.798,1091 5.291,1092 16.994,1093 8.764,1094 13.242,1095 1.187,1096 16.263,1097 2.901,1098 10.166,1099 12.415,1100 6.389,1101 19.435,1102 10.021,1103 3.138,1104 0.984,1105 18.048,1106 2.606,1107 11.084,1108 13.57,1109 6.93,1110 21.594,1111 10.942,1112 2.977,1113 10.566,1114 19.847,1115 2.35,1116 12.249,1117 15.082,1118 7.902,1119 23.968,1120 12.111,1121 2.761,1122 9.314,1123 21.658,1124 4.118,1125 13.267,1126 16.344,1127 8.539,1128 26.218,1129 13.136,1130 2.564,1131 7.996,1132 23.478,1133 4.036,1134 14.396,1135 17.802,1136 9.436,1137 28.568,1138 14.273,1139 2.451,1140 7.929,1141 25.307,1142 3.688,1143 15.463,1144 19.124,1145 10.13,1146 30.864,1147 15.352,1148 2.253,1149 6.815,1150 27.143,1151 3.393,1152 16.58,1153 20.553,1154 10.981,1155 33.208,1156 16.48,1157 2.167,1158 6.774,1159 28.985,1160 2.924,1161 17.672,1162 21.909,1163 11.71,1164 35.528,1165 17.586,1166 40101,1167 67320,1168 30.224,1169 53.659,1170 67.199,1171 70.005,1172 69.157,1173 66.75,1174 66.734,1175 83.662,1176 9.003,1177 184.769,1178 64.551,1179 5.45,1180 5.66,1181 6.53,1182 5.202,1183 5.138,1184 7.118,1185 3.889,1186 17.811,1187 5.172,1188 25.901,1189 1.461,1190 1.522,1191 1.503,1192 1.451,1193 1.451,1194 1.819,1195 0.196,1196 4.017,1197 1.403,1198 4.053,1199 4.071,1200 4.005,1201 3.986,1202 7.435,1203 3.987,1204 3.94,1205 3.97,1206 3.877,1207 3.858,1208 7.427,1209 3.857,1210 3.896,1211 3.904,1212 3.856,1213 3.819,1214 6.562,1215 3.825,1216 3.771,1217 3.829,1218 3.622,1219 3.643,1220 6.446,1221 3.628,1222 3.62,1223 3.679,1224 3.517,1225 3.462,1226 6.383,1227 3.467,1228 3.545,1229 3.591,1230 3.459,1231 3.392,1232 4.836,1233 3.388,1234 3.509,1235 3.565,1236 3.387,1237 3.216,1238 4.805,1239 3.258,1240 3.347,1241 3.425,1242 3.173,1243 3.154,1244 4.503,1245 3.15,1246 0.098,1247 0.08,1248 0.144,1249 0.09,1250 0.068,1251 4.486,1252 0.09,1253 3.66,1254 0.048,1255 6.639,1256 0.23,1257 4.149,1258 0.069,1259 3.138,1260 4.118,1261 2.186,1262 10.566,1263 3.172,1264 2.005,1265 1.989,1266 2.099,1267 2.087,1268 1.393,1269 2.09,1270 1.911,1271 1.885,1272 2.05,1273 2.027,1274 1.335,1275 2.034,1276 1.865,1277 1.855,1278 2.004,1279 1.969,1280 1.208,1281 1.971,1282 1.777,1283 1.717,1284 1.94,1285 1.933,1286 1.106,1287 1.947,1288 1.59,1289 1.537,1290 1.839,1291 1.806,1292 1.058,1293 1.816,1294 1.518,1295 1.473,1296 1.705,1297 1.731,1298 0.886,1299 1.718,1300 1.404,1301 1.335,1302 1.69,1303 1.671,1304 0.844,1305 1.681,1306 1.344,1307 1.263,1308 1.649,1309 1.567,1310 0.683,1311 1.6,1312 4.533,1314 5.832,1316 7.315,1318 8.891,1320 10.521,1322 3.628,1327 29.052,1328 9.052,1329 2.449,1330 11.176,1333 2.269,1340 51.056,1341 121.626,1342 302.439,1343 415.605,1344 473.354,1345 489.618,1346 489.618,1347 122.794,1348 8.472,1349 128.56,1350 128.56,1351 24,1352 12.757,1353 4.459,1354 3.7,1355 83.295,1356 335,1357 306,1358 0.116,1359 313.77,1360 566.47,1361 757.359,1362 81572,1364 30.769,1365 0.716,1366 0.576,1367 30.769,1368 24.766,1369 20.728,1370 0.451,1371 0.319,1372 14.466,1373 19.945,1374 14.102,1375 11.749,1376 20.728,1377 14.662,1378 18.374,1379 0.296,1380 0.175,1381 18.374,1382 10.866,1383 14.937,1384 0.194,1385 0.096,1386 14.937,1387 7.428,1388 11.689,1389 0.123,1390 0.054,1391 11.689,1392 5.152,1393 9.028,1394 0.078,1395 0.03,1396 9.028,1397 3.515,1398 0.199,1399 130.232,1400 0.182,1401 40.038,1402 0.282,1403 216,1404 661.369,1405 237.847,1406 629.068,1407 837.54,1408 584,1409 247,1410 596.26,1411 267.993,1412 602.781,1413 874.3,1414 564,1415 8.306}
{0 CHEMBL1086007,1 1.478,2 18.5,3 6.484,4 42.037,5 155.147,6 7.109,7 0.5,8 4.392,9 4.52,10 3.921,11 3.956,12 5.365,13 3.909,14 4.971,15 5.154,16 4.262,17 4.371,18 5.897,19 4.287,20 5.263,21 5.505,22 4.31,23 4.494,24 6.119,25 4.378,26 5.252,27 5.495,28 4.252,29 4.454,30 6.153,31 4.327,32 5.249,33 5.508,34 4.134,35 4.422,36 6.035,37 4.273,38 5.242,39 5.501,40 4.1,41 4.396,42 6.038,43 4.232,44 5.223,45 5.493,46 4.002,47 4.345,48 5.995,49 4.16,50 5.134,51 5.41,52 3.902,53 4.238,54 5.928,55 4.048,56 0.061,57 1.064,58 16.662,59 7.179,60 7.977,61 9.872,62 0.255,63 1.752,64 32.185,65 12.584,66 26.284,67 17.518,68 0.41,69 2.17,70 47.325,71 16.327,72 46.044,73 23.19,74 0.625,75 2.165,76 46.393,77 15.523,78 62.832,79 22.456,80 0.441,81 2.092,82 45.493,83 16.152,84 42.143,85 23.152,86 0.47,87 2.003,88 46.523,89 16.602,90 48.875,91 23.353,92 0.433,93 1.899,94 48.606,95 16.645,96 48.444,97 23.273,98 0.442,99 1.713,100 47.055,101 15.356,102 49.596,103 21.561,104 5,105 56,106 0.227,107 0.548,108 0.739,109 0.86,110 0.897,111 0.905,112 3.667,113 1.022,114 -4.68,115 -4.59,116 -4.32,121 41.3,123 9,127 4,144 7,145 4,146 2,148 2,153 1,154 1,160 1,176 14,180 7,183 1,185 8,187 17,192 4,197 7,200 11,205 1,206 5,209 2,211 7,214 14,219 2,222 1,224 1,227 13,232 6,236 1,237 2,239 16,244 4,249 2,251 11,256 3,259 1,261 4,264 10,269 1,272 1,273 1,274 3,277 5,281 3062,282 26.38,283 26.38,284 26.38,285 26.38,286 26.38,287 23.756,288 24.835,289 16.222,290 26.871,291 20.817,292 20.817,293 20.817,294 20.817,295 20.817,296 16.708,297 22.661,298 7.788,299 21.608,300 4.751,301 2.67,302 1.425,303 0.64,304 0.4,305 0.347,306 4.379,308 1,312 1,313 1560,314 4.416,317 103.472,318 430.925,321 191.119,322 349.146,325 2.816,326 28.593,329 0.75,330 0.67,331 0.67,332 0.7,333 0.5,334 0.67,335 0.5,336 0.64,337 80.333,338 703,339 4.651,340 3.577,341 6.833,342 4.214,343 3.235,344 4.582,345 1.907,346 11.364,347 3.165,348 4.523,349 3.373,350 6.526,351 4.047,352 3.061,353 4.473,354 0.86,355 10.264,356 3.019,357 3.99,358 3.14,359 6.004,360 3.58,361 2.61,362 3.534,363 0.4,364 8.477,365 2.532,366 3.659,367 2.943,368 5.427,369 3.385,370 2.383,371 2.961,372 0.149,373 6.886,374 2.376,375 3.584,376 2.562,377 5.131,378 3.192,379 2.252,380 2.829,382 6.094,383 2.103,384 3.42,385 2.404,386 5.035,387 3.045,388 2.063,389 2.768,391 6.006,392 2.025,393 3.365,394 2.272,395 4.899,396 2.886,397 1.984,398 2.699,400 5.573,401 1.78,402 3.046,403 2.094,404 4.197,405 2.783,406 1.798,407 2.318,409 3.804,410 1.702,411 2.839,412 1.905,413 4.121,414 2.521,415 1.597,416 1.854,418 3.718,419 1.502,420 2.732,421 1.669,422 3.972,423 2.497,424 1.545,425 1.786,427 3.401,428 1.436,429 2.656,430 1.546,431 3.784,432 2.434,433 1.449,434 1.698,436 3.318,437 1.414,438 2.578,439 1.437,440 3.688,441 2.305,442 1.333,443 1.59,445 3.144,446 1.29,447 2.491,448 1.43,449 3.591,450 2.248,451 1.256,452 1.49,454 2.868,455 1.245,456 2.368,457 1.309,458 3.562,459 2.158,460 1.178,461 1.357,463 2.729,464 1.146,465 2.139,466 1.174,467 3.337,468 1.911,469 0.948,470 1.047,472 2.18,473 0.906,474 18.481,475 0.486,476 0.657,477 0.017,478 44,479 1.158,480 20,481 0.526,482 24,483 0.632,484 39.275,485 1.034,486 41.519,487 0.554,488 31.092,489 0.818,490 8.081,491 0.213,492 10.606,493 0.279,494 0.057,496 0.271,501 0.788,502 1.259,503 0.751,504 1.039,505 0.587,506 0.982,507 0.943,508 1.211,509 0.854,510 1.05,511 0.648,512 1.043,513 1.099,514 1.043,515 0.914,516 0.927,517 1.016,518 0.925,519 0.96,520 1.044,521 0.949,522 1.002,523 1.036,524 1.036,525 0.959,526 0.986,527 0.873,528 0.972,529 0.876,530 1.014,531 1.033,532 0.965,533 0.915,534 1.007,535 1.104,536 1.044,537 1.13,538 0.969,539 1.098,540 1.029,541 1.192,542 1.047,543 1.043,544 0.974,545 1.229,546 1.065,547 1.083,548 1.032,549 5,550 0.152,551 3.556,552 2.292,553 1.653,554 0.747,555 0.538,556 0.324,557 0.225,558 0.192,559 31573,560 72845,561 2.145,562 49.3,563 8,564 15,565 1,567 3,568 4,569 6,572 1.776,573 2.073,574 4.045,575 0.712,582 110.832,583 1.478,584 3.559,585 4.804,586 5.589,587 5.829,588 5.882,589 3.379,590 4.827,591 5.226,592 4.343,593 3053.24,594 9.134,595 59453.1,600 467.161,601 1.105,602 5.207,603 0.119,604 0.005,605 0.063,606 0.04,607 0.032,608 0.017,609 0.013,610 0.009,611 0.007,612 0.006,613 0.312,614 0.17,615 0.63,616 0.362,617 221.201,618 -0.03,619 -0.041,620 0.034,621 0.011,622 0.01,623 0.036,624 -0.016,625 -0.098,626 -0.016,627 -0.039,628 0.045,629 -0.048,630 -0.082,631 -0.024,632 0.02,633 0.047,634 -0.051,635 0.052,636 0.073,637 0.005,638 -0.053,639 -0.053,640 0.018,641 -0.078,642 -0.035,643 0.016,644 -0.024,645 -0.017,646 -0.057,647 -0.042,648 -0.029,649 -0.005,650 -0.017,651 -0.033,652 -0.072,653 -0.061,654 -0.093,655 -0.047,656 -0.057,657 -0.036,658 -0.099,659 -0.054,660 -0.014,661 -0.069,662 -0.062,663 -0.056,664 0.002,665 -0.032,666 1.608,667 5.145,668 0.605,669 51.136,670 0.992,671 1.126,672 3.445,673 11.869,674 0.663,675 3.761,676 4.043,677 4.317,678 4.595,679 4.82,680 4.883,681 4.984,682 5.081,683 5.069,684 4.97,685 11.051,686 0.617,687 533.17,688 3.761,689 5.283,690 6.125,691 6.989,692 7.853,693 8.73,694 9.605,695 10.49,696 11.372,697 12.262,698 5.3,703 1,705 1,706 1,708 1,714 4,715 8,716 1,717 1,720 5,722 21,734 1,740 1,741 75,743 22,744 2,745 42,747 79,748 31,749 17,750 5,751 7,756 5,757 9,758 1,767 4,770 9,772 18,773 13,777 1,782 1,786 1,793 37,794 5,795 3,796 7,797 1,802 4,808 0.4,809 2,822 1,824 1,828 1,829 4,832 1,833 2,843 1,858 1,859 2,865 1,868 38,876 13,877 2,878 1,892 1,893 2.7,896 1,897 1,901 18.333,902 13.093,903 8.5,904 5.018,907 4.059,908 1.482,909 1.003,910 9.559,911 12.48,912 3.998,913 4.582,914 5.194,915 5.817,916 6.367,917 6.688,918 7.043,919 7.388,920 7.487,921 7.372,922 0.917,923 57,924 14.124,926 5.943,927 0.026,929 7.534,931 27.898,933 23.356,936 2.034,937 77.278,941 400.217,942 141.112,943 69.593,944 39.149,945 36.145,948 141.112,949 475.511,950 69.593,952 54.218,953 75.381,954 75.646,955 39.461,956 13.915,957 388.446,958 39.149,959 400.217,960 210.705,961 36.145,962 39.149,964 329.591,965 95.772,966 11,968 75.904,969 100.004,970 73.945,972 400.217,973 105.737,974 180.261,977 400.217,978 65.731,979 75.381,980 52.807,981 92.079,982 400.217,983 105.737,984 180.261,986 0.565,987 0.326,988 0.184,989 0.102,990 25,991 10,992 0.165,993 13,994 3,995 1.261,996 5.206,997 342.389,998 0.261,999 23,1000 199.421,1005 26.988,1006 13.459,1007 7.091,1008 4.52,1009 88.952,1010 16.316,1011 4.902,1012 3.287,1015 5.811,1017 52.807,1018 686.216,1019 53.5,1024 12.145,1028 0.059,1031 74.407,1032 84.414,1034 0.237,1035 0.571,1036 0.771,1037 0.897,1038 0.936,1039 0.944,1040 5.216,1041 1.798,1042 6.071,1043 5.573,1044 4.727,1045 5.27,1046 2.18,1047 6.851,1048 4.661,1049 6.393,1050 1.597,1051 7.599,1052 3.804,1053 4.111,1054 5.085,1055 1.593,1056 7.711,1057 4.016,1058 7.69,1059 1.545,1060 9.237,1061 3.718,1062 6.271,1063 7.516,1064 2.965,1065 10.862,1066 6.161,1067 9.031,1068 1.449,1069 10.946,1070 3.401,1071 6.567,1072 8.26,1073 3.032,1074 12.65,1075 6.444,1076 10.414,1077 1.333,1078 12.703,1079 3.318,1080 8.125,1081 10.136,1082 4.052,1083 15.301,1084 7.984,1085 11.827,1086 1.256,1087 14.494,1088 3.144,1089 8.874,1090 11.303,1091 4.409,1092 17.454,1093 8.723,1094 13.263,1095 1.178,1096 16.31,1097 2.868,1098 10.181,1099 12.961,1100 5.254,1101 19.943,1102 10.011,1103 3.235,1104 0.948,1105 18.145,1106 2.729,1107 11.15,1108 14.321,1109 5.75,1110 22.243,1111 10.967,1112 3.061,1113 11.364,1114 19.994,1115 2.18,1116 12.356,1117 15.891,1118 6.502,1119 24.678,1120 12.154,1121 2.61,1122 10.264,1123 21.853,1124 4.582,1125 13.426,1126 17.336,1127 7.068,1128 27.039,1129 13.208,1130 2.383,1131 8.477,1132 23.722,1133 4.473,1134 14.595,1135 18.87,1136 7.771,1137 29.457,1138 14.358,1139 2.252,1140 6.886,1141 25.597,1142 3.534,1143 15.712,1144 20.352,1145 8.374,1146 31.845,1147 15.456,1148 2.063,1149 6.094,1150 27.477,1151 2.961,1152 16.869,1153 21.872,1154 9.051,1155 34.259,1156 16.594,1157 1.984,1158 6.006,1159 29.362,1160 2.829,1161 18.007,1162 23.371,1163 9.674,1164 36.661,1165 17.713,1166 28909,1167 44089,1168 29.008,1169 49.733,1170 61.223,1171 62.932,1172 62.41,1173 61.311,1174 61.142,1175 78.429,1176 6.632,1177 168.006,1178 58.869,1179 5.626,1180 5.577,1181 6.696,1182 5.276,1183 5.235,1184 7.582,1185 3.306,1186 18.902,1187 5.165,1188 12.419,1189 1.458,1190 1.498,1191 1.486,1192 1.46,1193 1.456,1194 1.867,1195 0.158,1196 4,1197 1.402,1198 4.14,1199 4.174,1200 4.132,1201 4.063,1202 7.429,1203 4.066,1204 4.099,1205 4.129,1206 4.074,1207 4.026,1208 5.041,1209 4.03,1210 3.78,1211 3.84,1212 3.779,1213 3.663,1214 4.969,1215 3.648,1216 3.736,1217 3.78,1218 3.655,1219 3.61,1220 4.685,1221 3.604,1222 3.652,1223 3.704,1224 3.51,1225 3.471,1226 4.56,1227 3.475,1228 3.515,1229 3.572,1230 3.412,1231 3.376,1232 4.301,1233 3.372,1234 3.402,1235 3.473,1236 3.373,1237 3.238,1238 4.27,1239 3.231,1240 3.294,1241 3.357,1242 3.225,1243 3.112,1244 4.169,1245 3.112,1246 0.111,1247 0.085,1248 0.163,1249 0.1,1250 0.077,1251 4.651,1252 0.109,1253 3.577,1254 0.045,1255 6.833,1256 0.271,1257 4.214,1258 0.075,1259 3.235,1260 4.582,1261 1.907,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.149,1267 2.158,1268 1.436,1269 2.159,1270 1.939,1271 1.916,1272 2.038,1273 2.018,1274 1.333,1275 2.025,1276 1.751,1277 1.71,1278 1.993,1279 1.946,1280 1.226,1281 1.96,1282 1.749,1283 1.686,1284 1.924,1285 1.866,1286 1.148,1287 1.892,1288 1.656,1289 1.607,1290 1.863,1291 1.859,1292 1.075,1293 1.866,1294 1.565,1295 1.512,1296 1.775,1297 1.774,1298 0.996,1299 1.777,1300 1.392,1301 1.321,1302 1.665,1303 1.629,1304 0.938,1305 1.643,1306 1.244,1307 1.186,1308 1.476,1309 1.492,1310 0.754,1311 1.496,1312 4.443,1314 5.733,1315 2.398,1316 7.222,1317 4.727,1318 8.816,1319 6.823,1320 10.474,1323 6.232,1328 11.565,1329 6.731,1330 5.71,1340 46.298,1341 110.832,1342 266.934,1343 360.291,1344 419.161,1345 437.161,1346 441.161,1347 66.404,1348 8.421,1349 79.04,1350 79.04,1351 29,1352 12.793,1353 4.524,1354 3.644,1355 59.964,1356 262,1357 220,1358 0.106,1359 285.395,1360 489.85,1361 688.123,1362 81704,1363 1.3,1364 26.158,1365 0.688,1366 0.598,1367 26.658,1368 22.709,1369 18.687,1370 0.445,1371 0.341,1372 13.835,1373 17.892,1374 13.556,1375 11.167,1376 18.975,1377 14.31,1378 16.084,1379 0.287,1380 0.188,1381 16.492,1382 10.526,1383 13.465,1384 0.182,1385 0.103,1386 13.727,1387 7.602,1388 11.424,1389 0.117,1390 0.056,1391 11.658,1392 5.511,1393 9.335,1394 0.076,1395 0.032,1396 9.567,1397 3.957,1398 0.181,1399 118.643,1400 0.186,1401 36.141,1402 0.259,1403 196,1404 490.318,1405 223.828,1406 506.679,1407 691.59,1408 478,1409 228,1410 484.304,1411 249.904,1412 500.753,1413 734.56,1414 476,1415 8.824}
{0 CHEMBL1086014,1 1.52,2 9.3,3 3.098,4 9.599,5 87.466,6 7.538,7 0.545,8 3.73,9 3.862,10 3.38,11 3.319,12 4.73,13 3.253,14 4.265,15 4.455,16 3.651,17 3.689,18 5.216,19 3.578,20 4.471,21 4.708,22 3.582,23 3.73,24 5.307,25 3.6,26 4.439,27 4.711,28 3.399,29 3.591,30 5.282,31 3.458,32 4.335,33 4.607,34 3.426,35 3.527,36 5.181,37 3.404,38 4.197,39 4.439,40 3.321,41 3.497,42 5.058,43 3.356,44 4.166,45 4.425,46 3.211,47 3.411,48 4.965,49 3.24,50 4.074,51 4.362,52 2.95,53 3.262,54 4.777,55 3.068,56 0.031,57 0.604,58 8.586,59 3.521,60 5.602,61 4.689,62 0.224,63 0.99,64 19.133,65 6.483,66 16.561,67 8.153,68 0.169,69 1.116,70 23.47,71 7.451,72 16.263,73 10.147,74 0.25,75 1.034,76 20.023,77 6.265,78 21.885,79 9.178,80 0.205,81 0.938,82 19.346,83 5.63,84 20.01,85 8.399,86 0.139,87 0.831,88 15.689,89 5.429,90 15.663,91 7.585,92 0.126,93 0.779,94 16.876,95 5.722,96 14.846,97 7.91,98 0.115,99 0.673,100 16.314,101 5.611,102 12.389,103 7.537,105 28,106 0.275,107 0.596,108 0.739,109 0.794,110 0.807,111 0.807,112 3.057,113 1.092,114 -4.53,115 -4.46,116 -4.2,121 39.5,127 5,144 6,145 1,147 1,149 1,152 1,176 6,179 3,180 2,183 1,185 2,187 6,192 1,197 2,200 3,206 2,209 2,211 2,214 1,219 4,224 1,227 2,232 4,239 2,244 5,249 1,251 2,256 4,269 2,277 1,281 500,282 14.052,283 14.052,284 14.052,285 14.052,286 14.052,287 12.602,288 18.486,289 8.798,290 14.594,291 10.921,292 10.921,293 10.921,294 10.921,295 10.921,296 8.809,297 30.331,298 4.242,299 11.769,300 3.728,301 1.957,302 1.165,303 0.862,304 0.789,305 0.789,306 3.747,310 1,311 1,312 1,313 404,314 2,318 194.986,325 1.5,326 9.207,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 42,338 186,339 4.172,340 4.216,341 6.168,342 3.804,343 2.894,344 3.729,345 2.95,346 9.175,347 2.636,348 3.898,349 3.081,350 5.407,351 3.531,352 2.551,353 3.442,354 0.8,355 7.137,356 2.504,357 3.594,358 2.796,359 5.237,360 3.278,361 2.335,362 2.818,363 0.657,364 6.66,365 2.189,366 2.984,367 2.463,368 4.392,369 2.659,370 1.782,371 2.115,373 4.373,374 1.569,375 2.894,376 2.427,377 3.643,378 2.479,379 1.497,380 2.011,382 3.152,383 1.457,384 2.661,385 1.704,386 3.538,387 2.189,388 1.29,389 1.719,391 2.821,392 1.152,393 2.5,394 1.536,395 3.429,396 2,397 1,398 1.5,400 2.389,401 1,402 2.194,403 1.158,404 3.247,405 1.938,406 1,407 1.164,409 2.136,410 0.924,411 2,412 1,413 3.247,414 1.866,415 1,416 1,418 2.136,419 0.847,420 1.821,421 0.789,422 3.076,423 1.536,424 0.6,425 0.711,427 1.401,428 0.56,429 0.931,430 0.381,431 2.41,432 0.559,433 -0.398,434 -0.497,436 -0.951,437 -0.379,438 0.738,439 -0.183,440 2.296,441 0.387,442 -0.531,443 -0.6,445 -1.275,446 -0.486,447 0.558,448 -0.254,449 1.656,450 0.095,451 -0.862,452 -1,454 -1.934,455 -0.783,456 0.5,457 -0.739,458 1.555,460 -1,461 -1.128,463 -2.347,464 -0.824,465 0.211,466 -0.881,467 1.555,468 -0.073,469 -1,470 -1.265,472 -2.347,473 -0.923,474 9.933,475 0.497,476 0.256,477 0.013,478 26.25,479 1.313,480 13,481 0.65,482 13.25,483 0.663,484 14.568,485 0.728,486 21.267,487 0.56,488 14.556,489 0.728,490 4.673,491 0.234,492 5.242,493 0.262,496 0.191,501 0.966,502 1.375,503 0.772,504 0.981,505 0.795,506 0.96,507 1.057,508 1.041,509 1.299,510 1.185,511 0.817,512 1.057,513 1.161,514 1.29,515 1.124,516 1.184,517 1.012,518 1.086,519 1.364,520 0.918,521 0.806,522 0.77,523 1.514,524 0.954,525 1.303,526 0.931,527 0.75,528 0.753,529 1.365,530 0.825,531 1.31,532 0.945,533 0.89,534 0.842,535 1.233,536 0.995,537 0.917,538 1.037,539 0.929,540 1.007,541 0.882,542 1.026,543 0.835,544 0.852,545 0.942,546 0.915,547 0.742,548 0.894,549 2.5,550 0.016,551 1.333,552 0.5,553 0.524,554 0.375,555 0.102,556 0.155,557 0.086,558 0.009,559 4256,560 10186,561 2.169,562 47.4,564 16,566 1,567 1,572 1.614,573 2.143,574 3.239,575 -0.271,576 1,577 1,579 1,582 57.759,583 1.52,584 3.291,585 4.083,586 4.386,587 4.458,588 4.458,589 2.709,590 3.722,591 4.295,592 3.347,593 636,594 7.316,595 6657.7,596 1,597 1,598 1,599 1,600 199.421,601 0.722,602 4.3,603 0.114,604 0.002,605 0.048,606 0.019,607 0.025,608 0.018,609 0.005,610 0.01,611 0.007,612 0.001,613 0.248,614 0.33,615 1,617 89.845,618 -0.001,619 -0.221,620 0.083,621 -0.017,622 0.083,623 -0.003,624 0.171,625 0.103,626 -0.172,627 -0.117,628 0.166,629 -0.104,630 -0.071,631 -0.277,632 -0.132,633 -0.214,634 -0.034,635 -0.132,636 -0.073,637 0.059,638 -0.047,639 0.003,640 -0.213,641 -0.059,642 -0.096,643 0.039,644 0.095,645 0.089,646 -0.121,647 0.097,648 -0.233,649 0.056,650 -0.058,651 0.031,652 -0.189,653 -0.059,654 -0.021,655 -0.095,656 0.01,657 -0.048,658 0.047,659 -0.046,660 -0.01,661 0.038,662 0.042,663 0.071,664 0.114,665 0.108,666 0.83,667 1.606,668 0.9,669 15.2,670 0.991,671 1.127,672 3.3,673 10.891,674 0.684,675 3.135,676 3.367,677 3.584,678 3.784,679 3.989,680 3.85,681 3.951,682 3.989,683 4.043,684 4.007,685 5.548,686 0.631,687 286.44,688 3.135,689 4.615,690 5.425,691 6.252,692 7.076,693 7.909,694 8.738,695 9.574,696 10.406,697 11.243,698 10.5,703 1,704 1,708 2,715 7,716 2,720 3,722 12,734 1,736 1,741 38,743 12,744 1,745 22,747 40,748 15,749 10,750 1,751 5,756 3,757 3,772 10,773 5,789 1,790 1,793 18,794 4,795 1,796 5,797 1,802 4,808 1,823 1,829 3,859 3,860 1,862 1,868 20,876 5,877 1,879 1,881 1,901 9.333,902 6.6,903 4.528,904 2.251,907 2.166,908 1.332,909 0.992,910 4.641,911 8.694,912 3.367,913 3.85,914 4.331,915 4.806,916 5.284,917 5.161,918 5.425,919 5.664,920 5.994,921 6.223,922 1,923 26,924 7.381,926 3.013,927 0.026,929 7.442,931 14.589,933 11.774,936 1.942,937 38.833,938 0.002,941 200.109,942 113.654,943 54.706,947 32.22,948 81.434,949 200.109,950 54.706,952 8.116,953 56.857,954 63.353,955 15.357,956 4.227,957 220.557,959 200.109,960 136.14,962 32.22,964 200.109,968 19.063,969 65.495,970 51.582,971 32.22,972 200.109,973 54.706,974 113.654,977 200.109,978 47.749,979 69.029,980 18.011,981 33.571,982 200.109,983 54.706,984 113.654,986 0.555,987 0.315,988 0.172,989 0.095,990 13,991 4,992 0.1,993 4,995 1,996 3.449,997 142.097,999 18,1000 78.439,1001 1,1005 13.562,1006 6.843,1007 3.8,1009 54.706,1010 14.096,1011 8.99,1015 2.975,1017 18.011,1018 368.468,1019 28,1031 37.669,1032 42.82,1034 0.29,1035 0.627,1036 0.778,1037 0.836,1038 0.85,1039 0.85,1040 4.543,1041 1,1042 5.333,1043 2.389,1044 4.043,1045 4.533,1046 3.007,1047 6.019,1048 3.908,1049 5.665,1050 1,1051 6.799,1052 2.136,1053 3.219,1054 3.861,1055 0.325,1056 6.629,1057 3.026,1058 6.901,1059 0.6,1060 8.366,1061 2.136,1062 5.501,1063 6.548,1064 5.032,1065 9.717,1066 5.239,1067 8.171,1068 -0.398,1069 9.998,1070 1.401,1071 5.565,1072 6.72,1073 0.268,1074 11.237,1075 5.228,1076 9.476,1077 -0.531,1078 11.673,1079 -0.951,1080 7.223,1081 8.833,1082 7.185,1083 13.764,1084 6.828,1085 10.805,1086 -0.862,1087 13.379,1088 -1.275,1089 7.739,1090 9.43,1091 0.188,1092 15.662,1093 7.255,1094 12.15,1095 -1,1096 15.107,1097 -1.934,1098 9.089,1099 11.246,1100 9.348,1101 17.988,1102 8.548,1103 2.894,1104 -1,1105 16.851,1106 -2.347,1107 9.849,1108 12.087,1109 0.125,1110 20.055,1111 9.208,1112 2.551,1113 9.175,1114 18.607,1115 -2.347,1116 11.042,1117 13.725,1118 11.511,1119 22.307,1120 10.341,1121 2.335,1122 7.137,1123 20.373,1124 3.729,1125 11.936,1126 14.72,1127 0.082,1128 24.452,1129 11.129,1130 1.782,1131 6.66,1132 22.146,1133 3.442,1134 13.051,1135 16.246,1136 13.675,1137 26.677,1138 12.177,1139 1.497,1140 4.373,1141 23.925,1142 2.818,1143 14.018,1144 17.342,1145 0.054,1146 28.859,1147 13.037,1148 1.29,1149 3.152,1150 25.71,1151 2.115,1152 15.097,1153 18.794,1154 15.838,1155 31.075,1156 14.041,1157 1,1158 2.821,1159 27.499,1160 2.011,1161 16.103,1162 19.958,1163 0.035,1164 33.274,1165 14.941,1166 4051,1167 6358,1168 15.485,1169 26,1170 31.983,1171 34.539,1172 31.86,1173 31.922,1174 31.899,1175 40.418,1176 8.815,1177 82.756,1178 29.68,1179 5.172,1180 6.216,1181 5.97,1182 4.947,1183 4.894,1184 6.729,1185 5.9,1186 15.377,1187 4.636,1189 1.454,1190 1.57,1191 1.448,1192 1.451,1193 1.45,1194 1.837,1195 0.401,1196 3.762,1197 1.349,1198 3.951,1199 4.001,1200 3.97,1201 3.86,1202 4.998,1203 3.856,1204 3.855,1205 3.901,1206 3.846,1207 3.722,1208 4.749,1209 3.721,1210 3.648,1211 3.704,1212 3.738,1213 3.555,1214 4.239,1215 3.512,1216 3.253,1217 3.337,1218 3.17,1219 3.068,1220 4.132,1221 3.065,1222 3.111,1223 3.206,1224 3.003,1225 2.941,1226 3.799,1227 2.91,1228 2.89,1229 2.954,1230 2.866,1231 2.779,1232 3.674,1233 2.732,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 3.634,1239 2.715,1240 2.736,1241 2.817,1242 2.631,1243 2.523,1244 3.474,1245 2.539,1246 0.19,1247 0.192,1248 0.28,1249 0.173,1250 0.132,1251 4.172,1252 0.17,1253 4.216,1254 0.134,1255 6.168,1256 0.417,1257 3.804,1258 0.12,1259 2.894,1260 3.729,1261 2.95,1262 9.175,1263 2.636,1264 1.915,1265 1.883,1266 2.043,1267 2.037,1268 1.257,1269 2.034,1270 1.795,1271 1.742,1272 1.912,1273 1.966,1274 1.154,1275 1.971,1276 1.621,1277 1.572,1278 1.769,1279 1.782,1280 0.825,1281 1.804,1282 1.227,1283 1.152,1284 1.513,1285 1.461,1286 0.814,1287 1.475,1288 1.153,1289 1.064,1290 1.485,1291 1.376,1292 0.618,1293 1.429,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.341,1299 1.107,1300 0.842,1301 0.783,1302 1.052,1303 1.044,1304 0.218,1305 1.09,1306 0.691,1307 0.61,1308 0.969,1309 0.94,1310 0.025,1311 0.953,1312 3.807,1314 5.056,1316 6.515,1318 8.057,1320 9.639,1328 5.169,1329 3.357,1331 1.992,1333 2.254,1340 23.96,1341 57.759,1342 125.041,1343 155.157,1344 166.666,1345 169.421,1346 169.421,1347 20.467,1348 6.528,1349 41.05,1350 66.35,1351 18,1352 11.812,1353 3.7,1354 2.807,1355 30.078,1356 66,1357 60,1358 0.221,1359 153.219,1360 255.85,1361 365.615,1362 5637,1364 13.623,1365 0.681,1366 0.607,1367 13.977,1368 12.143,1369 9.916,1370 0.451,1371 0.364,1372 6.874,1373 9.108,1374 6.623,1375 5.464,1376 10.416,1377 8.007,1378 8.272,1379 0.295,1380 0.211,1381 8.803,1382 5.905,1383 6.848,1384 0.196,1385 0.12,1386 7.302,1387 4.196,1388 5.576,1389 0.13,1390 0.071,1391 6.071,1392 3.054,1393 4.582,1394 0.086,1395 0.043,1396 5.138,1397 2.271,1398 0.348,1399 66.386,1400 0.254,1401 20.269,1402 0.596,1403 100,1404 254.129,1405 127.074,1406 271.016,1407 374.71,1408 258,1409 113,1410 263.16,1411 135.578,1412 275.756,1413 400.87,1414 260,1415 4.635}
{0 CHEMBL1086090,1 1.337,2 12.92,3 5.046,4 25.459,5 102.205,6 6.045,7 0.222,8 4.096,9 4.235,10 3.482,11 3.598,12 4.971,13 3.535,14 4.719,15 4.932,16 3.821,17 4.025,18 5.572,19 3.918,20 5.015,21 5.286,22 3.811,23 4.166,24 5.716,25 4.016,26 5.012,27 5.277,28 3.74,29 4.134,30 5.772,31 3.967,32 5.009,33 5.305,34 3.628,35 3.999,36 5.778,37 3.829,38 4.784,39 5.057,40 3.5,41 3.81,42 5.609,43 3.666,44 4.619,45 4.869,46 3.427,47 3.693,48 5.513,49 3.564,50 4.586,51 4.846,52 3.31,53 3.587,54 5.531,55 3.46,56 0.062,57 0.794,58 14.302,59 5.762,60 7.282,61 8.284,62 0.385,63 1.311,64 26.465,65 9.663,66 32.602,67 14.331,68 0.298,69 1.578,70 34.394,71 12.314,72 25.878,73 18.364,74 0.264,75 1.532,76 34.134,77 12.61,78 32.886,79 18.497,80 0.343,81 1.413,82 34.007,83 11.257,84 38.722,85 16.971,86 0.374,87 1.131,88 27.691,89 9.032,90 32.828,91 13.346,92 0.248,93 1.005,94 23.652,95 7.689,96 26.998,97 11.44,98 0.406,99 0.927,100 23.237,101 6.865,102 39.144,103 10.256,104 22,105 36,106 0.224,107 0.482,108 0.725,109 0.861,110 0.889,111 0.889,112 3.266,113 1.117,114 -4.63,115 -4.55,116 -4.28,121 36.8,122 2,123 7,124 1,127 3,129 1,144 3,145 2,146 1,161 1,176 12,179 1,180 6,183 2,185 1,187 14,192 4,197 1,200 11,206 8,211 3,214 7,219 7,224 3,227 4,231 1,232 4,237 3,239 4,244 4,249 3,251 5,255 1,256 3,259 1,264 6,269 2,277 8,281 1005,282 17.292,283 17.292,284 17.292,285 17.292,286 17.292,287 16.438,288 21.27,289 10.63,290 17.612,291 13.279,292 13.279,293 13.279,294 13.279,295 13.279,296 11.881,297 25.418,298 4.993,299 13.738,300 4.495,301 2.954,302 1.501,303 0.685,304 0.518,305 0.518,306 3.951,311 1,312 1,313 688,314 3.873,317 103.442,318 59.813,320 83.858,321 89.309,324 125.658,325 2.01,326 17.271,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 53,338 323,339 4.469,340 3.669,341 6.875,342 4.267,343 3.284,344 4.007,345 2.186,346 11.519,347 3.232,348 3.907,349 3.517,350 6.012,351 3.624,352 2.681,353 3.141,354 0.8,355 8.537,356 2.527,357 3.653,358 2.857,359 5.431,360 3.361,361 2.419,362 2.798,363 0.366,364 7.162,365 2.255,366 3.327,367 2.497,368 5.12,369 2.987,370 2.022,371 2.516,373 5.785,374 1.941,375 3.048,376 2.134,377 4.796,378 2.844,379 1.855,380 2.168,382 5.418,383 1.832,384 2.843,385 1.9,386 4.436,387 2.807,388 1.808,389 1.842,391 3.903,392 1.8,393 2.464,394 1.574,395 3.827,396 2.386,397 1.398,398 1.46,400 3.614,401 1.378,402 2.429,403 1.488,404 3.791,405 2.294,406 1.319,407 1.418,409 2.729,410 1.282,411 2.26,412 1.129,413 3.396,414 2.076,415 1.085,416 1.239,418 2.662,419 1.075,420 1.846,421 1.036,422 3.143,423 1.78,424 0.804,425 0.822,427 1.479,428 0.781,429 1.666,430 0.86,431 2.93,432 1.531,433 0.549,434 0.595,436 1.159,437 0.537,438 1.335,439 0.622,440 2.643,441 1.193,442 0.234,443 0.246,445 0.417,446 0.223,447 1.167,448 0.362,449 2.512,450 1.075,451 0.091,452 0.094,454 0.155,455 0.089,456 0.956,457 0.221,458 2.368,459 0.681,460 -0.281,461 -0.318,463 -0.658,464 -0.267,465 0.602,466 -0.272,467 2.176,468 0.403,469 -0.606,470 -0.654,472 -1.099,473 -0.604,474 11.967,475 0.479,476 0.448,477 0.018,478 23.5,479 0.94,480 8,481 0.32,482 15.5,483 0.62,484 26.7,485 1.068,486 29.433,487 0.516,488 14.294,489 0.572,490 3.781,491 0.151,492 8.443,493 0.338,494 0.111,496 0.284,501 0.794,502 1.474,503 1.005,504 1.307,505 0.59,506 1.193,507 0.633,508 1.169,509 1.016,510 1.123,511 0.391,512 1.104,513 0.967,514 0.969,515 0.972,516 0.963,517 0.662,518 0.961,519 0.939,520 1.157,521 1.017,522 1.146,523 0.911,524 1.102,525 1.217,526 0.954,527 0.922,528 0.917,529 1.255,530 0.892,531 1.596,532 0.901,533 1.018,534 0.888,535 1.517,536 0.897,537 1.619,538 1.181,539 1.107,540 1.103,541 1.889,542 1.061,543 2.114,544 0.833,545 1.222,546 0.863,547 2.665,548 0.937,549 4,550 0.077,551 2.222,552 1.576,553 1.103,554 0.545,555 0.416,556 0.291,557 0.201,558 0.115,559 7774,560 13399,561 2.062,562 56.1,563 11,564 10,567 1,569 10,572 1.673,573 1.948,574 3.61,575 -0.396,582 76.236,583 1.337,584 2.879,585 4.332,586 5.148,587 5.315,588 5.315,589 3.133,590 4.484,591 4.604,592 3.771,593 1131.37,594 7.933,595 14399.1,597 1,600 332.475,601 1.323,602 4.583,603 0.148,604 0.005,605 0.062,606 0.045,607 0.036,608 0.02,609 0.017,610 0.013,611 0.011,612 0.007,613 0.364,614 0.33,615 1,616 2.33,617 123.788,618 0.017,619 -0.139,620 0.062,621 -0.05,622 0.012,623 0.001,624 0.297,625 0.013,626 0.02,627 -0.026,628 0.243,629 -0.031,630 -0.051,631 0.065,632 0.018,633 0.043,634 0.013,635 0.042,636 -0.011,637 -0.156,638 -0.036,639 -0.121,640 0.025,641 -0.088,642 -0.027,643 -0.026,644 0.071,645 0.013,646 -0.021,647 0.049,648 -0.046,649 0.044,650 0.022,651 0.055,652 -0.101,653 0.046,654 -0.094,655 -0.178,656 -0.052,657 -0.123,658 -0.146,659 -0.09,660 -0.13,661 0.149,662 -0.118,663 0.041,664 -0.227,665 -0.029,666 1.994,667 4.986,668 0.48,669 28.16,670 0.984,671 1.134,672 3.396,673 11.53,674 0.62,675 3.332,676 3.611,677 3.892,678 4.19,679 4.382,680 4.543,681 4.71,682 4.787,683 4.787,684 4.804,685 7.175,686 0.568,687 344.55,688 3.332,689 4.844,690 5.687,691 6.561,692 7.437,693 8.331,694 9.225,695 10.131,696 11.037,697 11.951,698 3.5,701 1,705 1,715 3,720 3,722 6,737 1,741 57,743 7,744 1,745 27,747 59,748 21,749 6,750 3,751 3,756 3,757 6,763 2,767 3,768 1,770 8,772 7,773 14,774 1,777 1,782 1,786 1,793 32,794 4,795 1,796 4,802 2,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 2,868 25,876 10,877 1,878 1,880 2,881 1,893 3.5,896 1,898 1,901 12.833,902 10.45,903 5.778,904 4.239,907 1.285,908 1.177,909 0.939,910 6.634,911 8.559,912 3.466,913 3.902,914 4.347,915 4.855,916 5.32,917 5.577,918 5.922,919 6.198,920 6.239,921 6.347,922 0.889,923 35,924 9.343,926 3.869,927 0.026,929 7.473,931 18.783,933 15.807,936 1.973,937 49.333,938 0.001,940 1,941 364.904,942 88.515,943 21.135,945 36.145,948 88.515,949 401.049,950 21.135,951 17.65,952 42.07,953 28.429,954 25.145,955 25.739,956 6.763,957 364.904,959 364.904,960 109.65,961 36.145,964 247.193,965 153.856,968 62.844,969 46.806,972 364.904,973 57.28,974 88.515,977 364.904,978 42.436,979 49.203,980 18.011,981 36.145,982 364.904,983 57.28,984 88.515,986 0.557,987 0.323,988 0.178,989 0.094,990 16,991 7,992 0.153,993 9,994 2,995 1.333,996 3.855,997 194.104,998 0.333,999 12,1000 116.096,1005 18.567,1006 8.933,1007 4.495,1009 57.28,1010 6.186,1015 3.5,1017 18.011,1018 510.699,1019 31,1024 11.986,1028 -0.327,1031 56.112,1032 64.643,1034 0.229,1035 0.494,1036 0.743,1037 0.883,1038 0.911,1039 0.911,1040 4.705,1041 1.319,1042 5.645,1043 3.614,1044 4.29,1045 4.585,1046 2.351,1047 6.45,1048 4.227,1049 5.83,1050 1.085,1051 7.191,1052 2.729,1053 3.761,1054 4.27,1055 1.847,1056 7.357,1057 3.657,1058 7.1,1059 0.804,1060 8.844,1061 2.662,1062 5.855,1063 6.551,1064 3.504,1065 10.508,1066 5.727,1067 8.406,1068 0.549,1069 10.564,1070 1.479,1071 6.236,1072 7.108,1073 3.598,1074 12.334,1075 6.08,1076 9.754,1077 0.234,1078 12.331,1079 1.159,1080 7.751,1081 8.882,1082 4.907,1083 14.998,1084 7.577,1085 11.129,1086 0.091,1087 14.13,1088 0.417,1089 8.569,1090 9.838,1091 5.29,1092 17.196,1093 8.381,1094 12.526,1095 -0.281,1096 15.954,1097 0.155,1098 9.86,1099 11.414,1100 6.387,1101 19.706,1102 9.66,1103 3.284,1104 -0.606,1105 17.797,1106 -0.658,1107 10.882,1108 12.57,1109 6.93,1110 22.052,1111 10.673,1112 2.681,1113 11.519,1114 19.655,1115 -1.099,1116 12.093,1117 14.055,1118 7.902,1119 24.514,1120 11.873,1121 2.419,1122 8.537,1123 21.524,1124 4.007,1125 13.205,1126 15.316,1127 8.539,1128 26.917,1129 12.977,1130 2.022,1131 7.162,1132 23.404,1133 3.141,1134 14.391,1135 16.756,1136 9.436,1137 29.365,1138 14.153,1139 1.855,1140 5.785,1141 25.292,1142 2.798,1143 15.543,1144 18.073,1145 10.13,1146 31.791,1147 15.295,1148 1.808,1149 5.418,1150 27.186,1151 2.516,1152 16.724,1153 19.49,1154 10.981,1155 34.235,1156 16.465,1157 1.398,1158 3.903,1159 29.085,1160 2.168,1161 17.893,1162 20.838,1163 11.71,1164 36.671,1165 17.623,1166 7692,1167 10270,1168 18.087,1169 35.341,1170 38.977,1171 40.092,1172 40.851,1173 39.124,1174 39.095,1175 44.691,1176 6.705,1177 109.077,1178 37.9,1179 5.431,1180 5.669,1181 6.839,1182 5.346,1183 5.284,1184 7.007,1185 3.889,1186 18.863,1187 5.232,1188 11.612,1189 1.444,1190 1.485,1191 1.513,1192 1.449,1193 1.448,1194 1.655,1195 0.248,1196 4.04,1197 1.404,1198 4.082,1199 4.117,1200 4.017,1201 4.007,1202 7.435,1203 4.005,1204 3.784,1205 3.851,1206 3.652,1207 3.648,1208 4.814,1209 3.63,1210 3.712,1211 3.76,1212 3.595,1213 3.563,1214 4.394,1215 3.567,1216 3.573,1217 3.645,1218 3.434,1219 3.384,1220 4.255,1221 3.377,1222 3.394,1223 3.464,1224 3.224,1225 3.214,1226 4.149,1227 3.198,1228 3.323,1229 3.392,1230 3.129,1231 3.1,1232 4.027,1233 3.111,1234 3.163,1235 3.24,1236 2.978,1237 3.004,1238 3.879,1239 2.988,1240 3.02,1241 3.089,1242 2.806,1243 2.78,1244 3.738,1245 2.784,1246 0.166,1247 0.136,1248 0.255,1249 0.158,1250 0.122,1251 4.469,1252 0.148,1253 3.669,1254 0.081,1255 6.875,1256 0.427,1257 4.267,1258 0.12,1259 3.284,1260 4.007,1261 2.186,1262 11.519,1263 3.232,1264 1.901,1265 1.883,1266 2.039,1267 1.992,1268 1.379,1269 1.997,1270 1.782,1271 1.718,1272 2.001,1273 1.946,1274 1.278,1275 1.977,1276 1.641,1277 1.575,1278 1.876,1279 1.854,1280 1.216,1281 1.865,1282 1.567,1283 1.499,1284 1.852,1285 1.785,1286 1.121,1287 1.807,1288 1.554,1289 1.483,1290 1.802,1291 1.71,1292 1.071,1293 1.745,1294 1.298,1295 1.236,1296 1.604,1297 1.566,1298 0.826,1299 1.571,1300 1.249,1301 1.165,1302 1.574,1303 1.485,1304 0.778,1305 1.527,1306 1.035,1307 0.98,1308 1.298,1309 1.312,1310 0.461,1311 1.316,1312 4.007,1314 5.293,1315 3.045,1316 6.77,1317 5.476,1318 8.35,1319 7.636,1320 9.999,1322 4.451,1328 11.326,1329 2.869,1330 5.505,1332 1.257,1333 2.58,1340 32.374,1341 76.236,1342 164.094,1343 246.926,1344 293.455,1345 302.965,1346 302.965,1347 42.399,1348 7.274,1349 41.57,1350 41.57,1351 16,1352 12.466,1353 3,1354 2.322,1355 42.24,1356 105,1357 136,1358 0.194,1359 199.901,1360 352.9,1361 479.518,1362 13878,1364 17.648,1365 0.706,1366 0.629,1367 17.648,1368 15.722,1369 12.224,1370 0.453,1371 0.372,1372 9.959,1373 11.854,1374 9.71,1375 8.105,1376 12.224,1377 10.051,1378 10.309,1379 0.286,1380 0.205,1381 10.309,1382 7.386,1383 8.618,1384 0.18,1385 0.12,1386 8.618,1387 5.773,1388 7.29,1389 0.112,1390 0.068,1391 7.29,1392 4.399,1393 5.618,1394 0.071,1395 0.037,1396 5.618,1397 2.936,1398 0.315,1399 75.766,1400 0.235,1401 24.951,1402 0.504,1403 126,1404 293.449,1405 136.889,1406 279.825,1407 386.85,1408 264,1409 147,1410 288.064,1411 156.645,1412 287.755,1413 424.88,1414 273,1415 6.419}
{0 CHEMBL1086184,1 1.565,2 7.6,3 1.973,4 3.893,5 74.21,6 7.334,7 0.5,8 3.716,9 3.835,10 3.269,11 3.246,12 4.825,13 3.23,14 4.266,15 4.443,16 3.65,17 3.647,18 5.348,19 3.61,20 4.465,21 4.661,22 3.786,23 3.796,24 5.549,25 3.754,26 4.557,27 4.758,28 3.718,29 3.757,30 5.755,31 3.7,32 4.512,33 4.747,34 3.474,35 3.64,36 5.554,37 3.558,38 4.35,39 4.59,40 3.301,41 3.486,42 5.476,43 3.368,44 4.227,45 4.487,46 2.953,47 3.275,48 5.155,49 3.133,50 4.024,51 4.294,52 2.595,53 2.982,54 4.939,55 2.824,56 0.03,57 0.549,58 7.708,59 3.358,60 6.965,61 4.427,62 0.245,63 0.875,64 15.06,65 5.811,66 23.644,67 7.939,68 0.117,69 1.085,70 18.298,71 6.597,72 19.012,73 9.475,74 0.388,75 1.113,76 21.092,77 6.709,78 52.706,79 9.473,80 0.333,81 1.011,82 21.034,83 6.173,84 42.283,85 8.98,86 0.352,87 0.842,88 17.681,89 5.86,90 45.992,91 8.635,92 0.208,93 0.682,94 16.26,95 5.421,96 29.955,97 7.748,98 0.203,99 0.523,100 13.603,101 4.258,102 29.58,103 6.07,104 19,105 32,106 0.284,107 0.635,108 0.791,109 0.83,110 0.85,111 0.85,112 3.06,113 0.925,114 -3.34,115 -3.32,116 -3.18,121 40.5,122 1,123 4,126 1,144 1,145 3,146 1,148 2,151 1,160 1,165 1,166 1,167 1,176 6,179 2,180 8,185 2,187 7,189 2,192 6,197 2,200 5,203 2,205 2,206 9,208 2,209 2,211 3,214 5,216 3,219 2,224 1,227 4,229 1,231 2,232 3,234 2,235 2,237 1,239 5,241 1,244 2,251 3,256 4,264 1,269 2,281 406,282 13.439,283 13.439,284 13.439,285 13.439,286 13.439,287 11.982,288 12.729,289 7.681,290 13.722,291 10.755,292 10.755,293 10.755,294 10.755,295 10.755,296 8.356,297 7.627,298 3.533,299 11.093,300 3.644,301 1.711,302 0.852,303 0.635,304 0.527,305 0.527,306 3.735,310 1,311 1,312 1,313 324,314 2.739,318 113.065,322 124.702,325 1.2,326 22.686,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 43.5,338 152,339 4.674,340 3.682,341 6.801,342 4.228,343 3.251,344 4.615,345 1.674,346 11.172,347 3.176,348 4.245,349 3.332,350 6.39,351 3.891,352 2.904,353 3.798,355 9.671,356 2.859,357 3.784,358 2.788,359 5.923,360 3.397,361 2.415,362 3.208,364 8.111,365 2.367,366 3.518,367 2.412,368 5.318,369 3.083,370 2.134,371 2.905,373 6.477,374 2.018,375 3.186,376 2.167,377 4.824,378 2.774,379 1.814,380 2.35,382 4.97,383 1.728,384 2.66,385 1.551,386 4.212,387 2.429,388 1.435,389 1.689,391 3.533,392 1.425,393 2.493,394 1.461,395 3.75,396 2.248,397 1.283,398 1.491,400 3.069,401 1.231,402 2.033,403 1.457,404 3.594,405 1.867,406 0.897,407 0.986,409 2.219,410 0.867,411 1.514,412 1.172,413 3.123,414 1.229,415 0.325,416 0.366,418 0.572,419 0.29,420 1.4,421 0.407,422 2.754,423 0.962,429 1.191,430 0.054,431 2.608,432 0.837,433 -0.142,434 -0.181,436 -0.334,437 -0.139,438 0.704,439 -0.242,440 2.355,441 0.334,442 -0.624,443 -0.746,445 -1.606,446 -0.596,447 0.417,448 -0.477,449 2,450 0.159,451 -0.84,452 -0.956,454 -2.098,455 -0.834,456 0.209,457 -0.651,458 1.876,459 -0.001,460 -1,461 -1.287,463 -2.743,464 -0.995,465 -0.005,466 -0.868,467 1.531,468 -0.315,469 -1.279,470 -1.61,472 -3.191,473 -1.229,474 9.367,475 0.468,476 0.559,477 0.028,478 25,479 1.25,480 12,481 0.6,482 13,483 0.65,484 16.129,485 0.806,486 21.833,487 0.59,488 16.89,489 0.844,490 4.685,491 0.234,492 4.929,493 0.246,494 0.185,496 0.427,501 0.79,502 1.257,503 0.793,504 1.095,505 0.7,506 0.961,507 0.707,508 1.027,509 0.711,510 0.875,511 0.496,512 0.813,513 0.739,514 1.297,515 0.795,516 1.069,517 0.668,518 0.95,519 1.131,520 1.138,521 1.125,522 1.101,523 1.32,524 1.107,525 1.361,526 0.992,527 1.204,528 0.949,529 1.306,530 1.018,531 0.629,532 0.985,533 1.066,534 1.125,535 0.636,536 1.156,537 1.073,538 0.967,539 1.091,540 1.086,541 1.122,542 1.096,543 1.304,544 0.887,545 1.206,546 1.08,547 1.376,548 1.122,549 4,550 0.012,551 2.889,552 1.813,553 1.702,554 0.778,555 0.484,556 0.227,557 0.094,558 0.041,559 3290,560 8502,561 2.048,562 45.9,563 6,564 4,567 2,568 5,572 1.623,573 1.875,574 2.929,575 0.361,577 1,579 1,582 57.905,583 1.565,584 3.499,585 4.358,586 4.574,587 4.682,588 4.682,589 2.441,590 3.784,591 4.294,592 2.998,593 569.612,594 7.364,595 5544.75,596 1,597 1,599 1,600 192.75,601 1.522,602 4.231,603 0.182,604 0.012,605 0.09,606 0.05,607 0.055,608 0.032,609 0.025,610 0.017,611 0.012,612 0.01,613 0.487,614 0.67,615 1,616 1.113,617 86.048,618 -0.061,619 -0.051,620 0.041,621 -0.001,622 -0.066,623 0.036,624 0.169,625 0.043,626 0.201,627 0.172,628 0.158,629 0.184,630 -0.011,631 -0.201,632 0.109,633 -0.059,634 0.06,635 0.031,636 -0.009,637 -0.064,638 -0.161,639 -0.156,640 -0.052,641 -0.186,642 -0.263,643 0.03,644 -0.216,645 -0.028,646 -0.227,647 -0.093,648 0.237,649 0.013,650 -0.105,651 -0.168,652 0.213,653 -0.19,654 -0.097,655 -0.083,656 -0.097,657 -0.115,658 -0.103,659 -0.105,660 -0.162,661 -0.034,662 -0.179,663 -0.139,664 -0.19,665 -0.153,666 2.061,667 4.755,668 0.7,669 12.93,670 1.004,671 1.13,672 2.106,673 4.437,674 0.656,675 3.135,676 3.497,677 3.829,678 4.111,679 4.394,680 4.522,681 4.635,682 4.762,683 4.812,684 4.635,685 4.488,686 0.627,687 271.35,688 3.135,689 4.691,690 5.572,691 6.475,692 7.376,693 8.287,694 9.193,695 10.108,696 11.017,697 11.933,698 8.1,702 1,708 2,714 2,715 1,716 2,720 5,722 11,732 1,733 1,741 37,743 12,745 22,747 39,748 15,749 8,752 1,756 3,757 6,763 1,767 4,770 4,772 9,773 6,777 1,782 1,786 1,789 1,790 1,793 17,794 5,795 2,796 5,802 3,808 0.333,809 2,822 2,829 3,833 2,859 1,864 2,868 20,869 1,876 4,878 1,893 5.4,896 1,898 1,901 10.667,902 7.4,903 4.417,904 2.325,907 2.492,908 1.359,909 0.991,910 3.246,911 9.426,912 3.384,913 4.052,914 4.718,915 5.352,916 6.002,917 6.453,918 6.853,919 7.258,920 7.566,921 7.504,922 1,923 36,924 7.405,926 3.178,927 0.026,929 7.792,931 14.151,933 11.769,936 2.292,937 45.833,938 0.001,941 176.567,942 65.444,943 66.468,945 36.145,948 65.444,949 212.711,950 66.468,951 19.708,952 10.138,953 42.373,954 65.907,955 29.93,957 176.567,959 176.567,960 131.912,961 36.145,964 178.282,965 36.145,968 24.477,969 72.149,970 33.571,972 176.567,973 102.613,974 65.444,977 176.567,978 36.259,979 29.185,981 102.613,982 176.567,983 102.613,984 65.444,986 0.589,987 0.367,988 0.199,989 0.11,990 17,991 8,992 0.051,993 2,994 2,995 1.286,996 3.091,997 159.041,998 0.286,999 14,1000 86.439,1005 13.166,1006 4.932,1007 2.128,1008 1.366,1009 102.613,1010 1.751,1011 9.042,1015 3.947,1017 32.897,1018 344.623,1019 28.5,1024 11.755,1028 -0.394,1031 37.145,1032 41.82,1034 0.3,1035 0.672,1036 0.837,1037 0.878,1038 0.899,1039 0.899,1040 4.642,1041 0.897,1042 5.587,1043 3.069,1044 4.174,1045 4.736,1046 1.888,1047 6.463,1048 4.118,1049 5.884,1050 0.325,1051 7.194,1052 2.219,1053 3.892,1054 4.796,1056 7.483,1057 3.825,1058 7.232,1060 8.9,1061 0.572,1062 5.832,1063 7.068,1064 2.817,1065 10.618,1066 5.732,1067 8.618,1068 -0.142,1069 10.663,1071 6.347,1072 7.922,1074 12.418,1075 6.235,1076 10.037,1077 -0.624,1078 12.46,1079 -0.334,1080 7.79,1081 9.722,1082 3.808,1083 15.082,1084 7.653,1085 11.476,1086 -0.84,1087 14.281,1088 -1.606,1089 8.663,1090 10.929,1092 17.207,1093 8.509,1094 12.933,1095 -1,1096 16.117,1097 -2.098,1098 9.92,1099 12.555,1100 4.825,1101 19.703,1102 9.745,1103 3.251,1104 -1.279,1105 17.965,1106 -2.743,1107 10.953,1108 13.928,1110 21.973,1111 10.757,1112 2.904,1113 11.172,1114 19.822,1115 -3.191,1116 12.143,1117 15.486,1118 5.851,1119 24.406,1120 11.924,1121 2.415,1122 9.671,1123 21.687,1124 4.615,1125 13.246,1126 16.938,1128 26.744,1129 13.005,1130 2.134,1131 8.111,1132 23.557,1133 3.798,1134 14.413,1135 18.472,1136 6.88,1137 29.154,1138 14.15,1139 1.814,1140 6.477,1141 25.432,1142 3.208,1143 15.549,1144 19.962,1146 31.524,1147 15.263,1148 1.435,1149 4.97,1150 27.312,1151 2.905,1152 16.711,1153 21.487,1154 7.91,1155 33.927,1156 16.402,1157 1.283,1158 3.533,1159 29.195,1160 2.35,1161 17.862,1162 22.995,1164 36.314,1165 17.529,1166 3291,1167 5396,1168 14.334,1169 24.256,1170 33.104,1171 34.893,1172 35.504,1173 32.864,1174 32.916,1175 42.819,1176 3.349,1177 99.589,1178 31.919,1179 5.619,1180 5.682,1181 6.483,1182 5.281,1183 5.251,1184 7.615,1185 3.349,1186 18.717,1187 5.176,1188 10.475,1189 1.505,1190 1.586,1191 1.614,1192 1.494,1193 1.496,1194 1.946,1195 0.152,1196 4.527,1197 1.451,1198 4.109,1199 4.14,1200 4.081,1201 4.016,1202 7.433,1203 4.028,1204 3.771,1205 3.811,1206 3.69,1207 3.667,1208 5.162,1209 3.665,1210 3.464,1211 3.5,1212 3.369,1213 3.285,1214 4.842,1215 3.292,1216 3.308,1217 3.374,1218 3.168,1219 3.041,1220 4.507,1221 3.067,1222 3.133,1223 3.221,1224 2.984,1225 2.939,1226 4.369,1227 2.933,1228 3.014,1229 3.1,1230 2.79,1231 2.826,1232 3.974,1233 2.805,1234 2.882,1235 3.004,1236 2.685,1237 2.639,1238 3.844,1239 2.645,1240 2.811,1241 2.863,1242 2.624,1243 2.537,1244 3.498,1245 2.551,1246 0.212,1247 0.167,1248 0.309,1249 0.192,1250 0.148,1251 4.674,1252 0.21,1253 3.682,1254 0.076,1255 6.801,1256 0.508,1257 4.228,1258 0.144,1259 3.251,1260 4.615,1261 1.674,1262 11.172,1263 3.176,1264 2.05,1265 2.023,1266 2.132,1267 2.161,1268 1.422,1269 2.151,1270 1.762,1271 1.724,1272 1.929,1273 1.901,1274 1.115,1275 1.913,1276 1.402,1277 1.358,1278 1.628,1279 1.637,1280 0.773,1281 1.624,1282 1.244,1283 1.181,1284 1.592,1285 1.54,1286 0.723,1287 1.56,1288 1.129,1289 1.047,1290 1.454,1291 1.364,1292 0.582,1293 1.394,1294 1.026,1295 0.944,1296 1.322,1297 1.269,1298 0.463,1299 1.296,1300 0.808,1301 0.735,1302 1.139,1303 1.184,1304 0.115,1305 1.185,1306 0.758,1307 0.667,1308 0.965,1309 1.013,1311 1.007,1312 3.807,1314 5.153,1316 6.723,1318 8.396,1320 10.124,1322 3.142,1326 6.268,1328 4.179,1330 4.778,1340 23.181,1341 57.905,1342 129.447,1343 161.24,1344 169.24,1345 173.24,1346 173.24,1347 31.86,1348 6.934,1349 78.1,1350 78.1,1351 18,1352 12.445,1353 3.7,1354 2.907,1355 29.78,1356 55,1357 54,1358 0.288,1359 143.286,1360 243.92,1361 341.379,1362 8040,1364 14.276,1365 0.714,1366 0.585,1367 14.276,1368 11.694,1369 9.613,1370 0.437,1371 0.308,1372 6.689,1373 9.235,1374 6.471,1375 5.379,1376 9.613,1377 6.784,1378 8.725,1379 0.273,1380 0.161,1381 8.725,1382 5.142,1383 7.854,1384 0.175,1385 0.087,1386 7.854,1387 3.893,1388 6.505,1389 0.108,1390 0.046,1391 6.505,1392 2.786,1393 5.338,1394 0.067,1395 0.025,1396 5.338,1397 2.038,1398 0.427,1399 60.478,1400 0.264,1401 19.273,1402 0.864,1403 108,1404 318.074,1405 118.393,1406 305.615,1407 420.61,1408 286,1409 131,1410 312.661,1411 141.313,1412 318.171,1413 470.07,1414 298,1415 6}
{0 CHEMBL1086245,1 1.46,2 16.344,3 4.766,4 22.715,5 125.3,6 7.209,7 0.529,8 4.163,9 4.275,10 3.694,11 3.698,12 5.281,13 3.674,14 4.678,15 4.849,16 3.989,17 4.04,18 5.791,19 3.993,20 4.899,21 5.09,22 4.023,23 4.159,24 5.958,25 4.084,26 4.981,27 5.207,28 3.947,29 4.121,30 6.038,31 4.032,32 4.891,33 5.102,34 3.894,35 4.119,36 5.921,37 4.014,38 4.953,39 5.2,40 3.811,41 4.1,42 5.884,43 3.964,44 4.866,45 5.117,46 3.678,47 3.974,48 5.76,49 3.837,50 4.733,51 4.974,52 3.604,53 3.838,54 5.659,55 3.723,56 0.009,57 0.799,58 12.425,59 5.687,60 7.731,61 7.302,62 0.377,63 1.257,64 23.161,65 8.854,66 34.835,67 11.774,68 0.235,69 1.472,70 29.733,71 11.692,72 41.824,73 15.312,74 0.487,75 1.532,76 34.258,77 12.039,78 70.613,79 16.054,80 0.323,81 1.463,82 29.98,83 11.538,84 53.066,85 15.506,86 0.381,87 1.523,88 32.964,89 12.405,90 56.637,91 17.273,92 0.385,93 1.392,94 30.543,95 11.003,96 49.09,97 15.29,98 0.272,99 1.2,100 26.639,101 9.525,102 41.577,103 13.023,104 20,105 44,106 0.236,107 0.53,108 0.7,109 0.824,110 0.864,111 0.864,112 3.501,113 0.931,114 -4.77,115 -4.68,116 -4.4,121 43.3,123 1,126 2,127 3,144 13,145 3,146 2,159 1,161 1,176 14,179 1,180 9,183 2,187 15,192 10,200 11,205 1,206 9,211 2,214 11,218 1,219 4,224 2,227 13,231 1,232 5,237 1,239 8,243 1,244 7,247 1,251 3,256 5,264 3,268 1,269 3,274 1,277 8,281 1906,282 21.714,283 21.714,284 21.714,285 21.714,286 21.714,287 19.333,288 22.081,289 13.252,290 22.129,291 16.738,292 16.738,293 16.738,294 16.738,295 16.738,296 13.111,297 26.787,298 6.28,299 17.32,300 4.447,301 2.625,302 1.573,303 0.804,304 0.558,305 0.558,306 4.186,311 1,312 1,313 1101,314 4.301,318 390.405,325 2.531,326 28.046,329 1,330 0.83,331 0.83,332 0.8,333 0.5,334 0.83,335 0.5,336 0.76,337 69,338 523,339 4.331,340 3.66,341 6.391,342 3.993,343 2.974,344 3.916,345 2.186,346 9.667,347 3.029,348 4.105,349 3.58,350 5.681,351 3.723,352 2.761,353 3.688,354 0.916,355 7.996,356 2.661,357 3.903,358 2.986,359 5.413,360 3.478,361 2.52,362 3.463,363 0.86,364 7.096,365 2.419,366 3.672,367 2.872,368 5.29,369 3.378,370 2.447,371 2.886,372 0.366,373 6.815,374 2.259,375 3.516,376 2.63,377 5.132,378 3.128,379 2.169,380 2.88,381 0.172,382 6.119,383 2.071,384 3.376,385 2.23,386 4.862,387 3.083,388 2.111,389 2.514,391 5.592,392 2.029,393 3.083,394 2.169,395 4.584,396 2.766,397 1.794,398 2.176,400 4.812,401 1.733,402 2.966,403 2.004,404 3.906,405 2.516,406 1.524,407 2.137,409 3.345,410 1.507,411 2.663,412 1.584,413 3.57,414 2.314,415 1.353,416 1.733,418 2.922,419 1.292,420 2.5,421 1.323,422 3.483,423 2.17,424 1.181,425 1.5,427 2.598,428 1.165,429 2.5,430 1.275,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.475,439 1.101,440 3.327,441 2,442 1,443 1.449,445 2.136,446 1,447 2.343,448 1,449 3.247,450 1.832,451 0.79,452 1.167,454 1.895,455 0.814,456 1.543,457 1,458 2.95,459 1.338,460 0.408,461 0.45,463 0.934,464 0.376,465 1.507,466 0.762,467 2.816,468 1.298,469 0.382,470 0.409,472 0.558,473 0.346,474 15.133,475 0.473,476 0.626,477 0.02,478 41.75,479 1.305,480 22,481 0.688,482 19.75,483 0.617,484 24.454,485 0.764,486 34.667,487 0.578,488 33.043,489 1.033,490 8.776,491 0.274,492 6.77,493 0.212,494 0.11,496 0.258,501 0.753,502 1.3,503 0.814,504 1.145,505 0.586,506 1.01,507 0.868,508 0.917,509 0.938,510 0.931,511 0.567,512 0.928,513 1.117,514 1.125,515 1.02,516 1.122,517 0.832,518 1.07,519 1.324,520 0.9,521 1.031,522 0.891,523 1.317,524 0.913,525 0.999,526 1.086,527 1.081,528 1.096,529 1.153,530 1.104,531 0.762,532 1.05,533 0.97,534 1.046,535 0.633,536 1.045,537 0.924,538 0.964,539 1.041,540 1.012,541 0.751,542 1.04,543 1.115,544 1.067,545 1.038,546 1.051,547 0.829,548 1.036,549 6,550 0.103,551 2.667,552 1.938,553 1.156,554 0.688,555 0.584,556 0.382,557 0.214,558 0.133,559 17168,560 46947,561 2.03,562 46.7,564 25,567 1,570 2,572 1.735,573 1.92,574 3.973,575 -0.403,582 87.596,583 1.46,584 3.282,585 4.334,586 5.102,587 5.348,588 5.348,589 3.406,590 4.438,591 4.973,592 4.165,593 2066.07,594 8.645,595 34103,597 1,600 354.413,601 1.299,602 4.94,603 0.176,604 0.004,605 0.061,606 0.044,607 0.029,608 0.018,609 0.017,610 0.013,611 0.008,612 0.005,613 0.376,614 0.17,615 0.88,616 1,617 175.656,618 -0.016,619 -0.144,620 0.047,621 -0.075,622 -0.04,623 -0.015,624 0.115,625 0.193,626 0.005,627 0.064,628 0.105,629 0.031,630 -0.084,631 -0.125,632 -0.058,633 -0.111,634 0.019,635 -0.085,636 -0.116,637 0.065,638 -0.013,639 0.076,640 -0.062,641 0.051,642 -0.06,643 -0.088,644 -0.118,645 -0.097,646 -0.101,647 -0.116,648 0.056,649 -0.095,650 0.003,651 -0.057,652 0.03,653 -0.041,654 -0.01,655 0.004,656 -0.049,657 -0.046,658 -0.041,659 -0.055,660 -0.082,661 -0.111,662 -0.036,663 -0.082,664 -0.041,665 -0.056,666 2.148,667 5.458,668 0.563,669 41.508,670 1,671 1.121,672 3.541,673 12.538,674 0.662,675 3.555,676 3.807,677 3.989,678 4.159,679 4.317,680 4.277,681 4.331,682 4.344,683 4.263,684 4.263,685 9.457,686 0.629,687 432.56,688 3.555,689 5.056,690 5.861,691 6.693,692 7.512,693 8.349,694 9.173,695 10.013,696 10.84,697 11.682,698 3.3,701 1,705 1,715 13,720 5,722 18,727 1,737 1,739 1,741 60,743 20,744 3,745 34,747 62,748 26,749 18,750 5,751 13,752 1,756 3,757 3,770 1,772 20,773 6,777 2,782 2,786 2,793 28,794 6,795 1,796 6,802 2,808 1,809 4,829 3,855 1,859 3,864 2,868 32,876 4,877 1,878 2,881 1,893 6.7,896 2,898 2,901 16.667,902 11.2,903 7.306,904 3.476,907 3.075,908 1.418,909 0.952,910 8.847,911 10.427,912 3.829,913 4.337,914 4.822,915 5.306,916 5.791,917 5.821,918 6.069,919 6.237,920 6.315,921 6.503,922 0.909,923 44,924 11.813,926 4.808,927 0.026,929 7.786,931 22.459,933 17.499,936 2.286,937 73.167,940 1,941 317.82,942 183.262,943 21.135,945 72.29,948 183.262,949 390.109,950 21.135,951 16.793,952 29.349,953 123.191,954 55.423,955 45.168,956 6.763,957 317.82,959 317.82,960 204.397,961 72.29,964 294.278,965 95.832,968 32.473,969 171.924,972 317.82,973 93.425,974 183.262,977 317.82,978 43.278,979 143.108,980 18.011,981 72.29,982 317.82,983 93.425,984 183.262,986 0.563,987 0.317,988 0.162,989 0.087,990 17,991 8,992 0.177,993 11,995 1,996 4.546,997 257.133,999 18,1000 152,1005 23.519,1006 12.037,1007 7.503,1009 93.425,1010 23.983,1015 3.651,1017 18.011,1018 594.506,1019 45,1024 23.807,1028 -0.478,1031 60,1032 67.232,1034 0.247,1035 0.556,1036 0.734,1037 0.864,1038 0.905,1039 0.905,1040 5.021,1041 1.524,1042 5.802,1043 4.812,1044 4.489,1045 5.024,1046 2.527,1047 6.509,1048 4.43,1049 6.184,1050 1.353,1051 7.296,1052 3.345,1053 3.892,1054 4.59,1055 1.847,1056 7.191,1057 3.815,1058 7.447,1059 1.181,1060 8.887,1061 2.922,1062 5.984,1063 7.09,1064 3.551,1065 10.24,1066 5.88,1067 8.742,1068 1,1069 10.534,1070 2.598,1071 6.196,1072 7.444,1073 3.603,1074 11.755,1075 6.095,1076 10.067,1077 1,1078 12.22,1079 2.275,1080 7.726,1081 9.418,1082 4.916,1083 14.304,1084 7.607,1085 11.413,1086 0.79,1087 13.933,1088 2.136,1089 8.336,1090 10.165,1091 5.291,1092 16.196,1093 8.239,1094 12.776,1095 0.408,1096 15.667,1097 1.895,1098 9.612,1099 11.884,1100 6.389,1101 18.562,1102 9.507,1103 2.974,1104 0.382,1105 17.416,1106 0.934,1107 10.434,1108 12.856,1109 6.93,1110 20.639,1111 10.36,1112 2.761,1113 9.667,1114 19.18,1115 0.558,1116 11.59,1117 14.429,1118 7.902,1119 22.937,1120 11.519,1121 2.52,1122 7.996,1123 20.954,1124 3.916,1125 12.525,1126 15.538,1127 8.539,1128 25.106,1129 12.489,1130 2.447,1131 7.096,1132 22.739,1133 3.688,1134 13.626,1135 17.023,1136 9.436,1137 27.378,1138 13.603,1139 2.169,1140 6.815,1141 24.532,1142 3.463,1143 14.623,1144 18.219,1145 10.13,1146 29.594,1147 14.634,1148 2.111,1149 6.119,1150 26.333,1151 2.886,1152 15.701,1153 19.649,1154 10.981,1155 31.859,1156 15.732,1157 1.794,1158 5.592,1159 28.141,1160 2.88,1161 16.731,1162 20.901,1163 11.71,1164 34.098,1165 16.794,1166 16647,1167 27669,1168 22.652,1169 39.728,1170 49.259,1171 51.334,1172 50.483,1173 48.83,1174 48.829,1175 63.733,1176 9.003,1177 129.517,1178 47.401,1179 5.263,1180 5.66,1181 6.193,1182 5.058,1183 4.974,1184 6.916,1185 3.889,1186 16.41,1187 5.029,1188 15.77,1189 1.449,1190 1.51,1191 1.485,1192 1.436,1193 1.436,1194 1.875,1195 0.265,1196 3.809,1197 1.394,1198 4.001,1199 4.021,1200 3.948,1201 3.93,1202 7.435,1203 3.931,1204 3.932,1205 3.959,1206 3.873,1207 3.854,1208 7.427,1209 3.853,1210 3.823,1211 3.85,1212 3.752,1213 3.755,1214 4.849,1215 3.75,1216 3.666,1217 3.73,1218 3.538,1219 3.487,1220 4.807,1221 3.486,1222 3.528,1223 3.589,1224 3.436,1225 3.218,1226 4.717,1227 3.263,1228 3.357,1229 3.425,1230 3.238,1231 3.14,1232 4.348,1233 3.152,1234 3.186,1235 3.202,1236 3.082,1237 3.035,1238 4.29,1239 3.042,1240 3.03,1241 3.084,1242 2.85,1243 2.808,1244 4.175,1245 2.799,1246 0.127,1247 0.108,1248 0.188,1249 0.117,1250 0.087,1251 4.331,1252 0.115,1253 3.66,1254 0.064,1255 6.391,1256 0.284,1257 3.993,1258 0.089,1259 2.974,1260 3.916,1261 2.186,1262 9.667,1263 3.029,1264 1.958,1265 1.94,1266 2.055,1267 2.043,1268 1.254,1269 2.047,1270 1.91,1271 1.885,1272 2.032,1273 2.021,1274 1.138,1275 2.025,1276 1.823,1277 1.798,1278 1.952,1279 1.923,1280 1.109,1281 1.933,1282 1.641,1283 1.575,1284 1.875,1285 1.842,1286 1.006,1287 1.853,1288 1.404,1289 1.336,1290 1.691,1291 1.731,1292 0.781,1293 1.717,1294 1.323,1295 1.248,1296 1.632,1297 1.576,1298 0.681,1299 1.597,1300 1.125,1301 1.107,1302 1.355,1303 1.312,1304 0.498,1305 1.292,1306 1.003,1307 0.927,1308 1.266,1309 1.264,1310 0.415,1311 1.279,1312 4.234,1314 5.501,1316 6.954,1318 8.486,1320 10.059,1322 3.566,1328 3.026,1329 2.435,1330 10.992,1333 2.185,1340 37.75,1341 87.596,1342 196.899,1343 260.043,1344 306.149,1345 320.904,1346 320.904,1347 64.486,1348 7.351,1349 67.87,1350 67.87,1351 18,1352 12.249,1353 4.392,1354 3.585,1355 61.911,1356 187,1357 160,1358 0.157,1359 235.363,1360 416.7,1361 566.047,1362 18552,1364 22.761,1365 0.711,1366 0.575,1367 22.761,1368 18.414,1369 15.546,1370 0.457,1371 0.31,1372 10.396,1373 14.96,1374 10.089,1375 8.46,1376 15.546,1377 10.546,1378 13.311,1379 0.303,1380 0.169,1381 13.311,1382 7.446,1383 10.647,1384 0.201,1385 0.092,1386 10.647,1387 4.871,1388 8.226,1389 0.131,1390 0.051,1391 8.226,1392 3.239,1393 6.331,1394 0.086,1395 0.028,1396 6.331,1397 2.072,1398 0.264,1399 97.41,1400 0.21,1401 31.249,1402 0.391,1403 156,1404 484.92,1405 171.536,1406 461.906,1407 619.17,1408 432,1409 175,1410 440.169,1411 189.46,1412 446.192,1413 642.37,1414 417,1415 8.268}
{0 CHEMBL1086246,1 1.403,2 16.29,3 5.336,4 28.477,5 124.461,6 6.862,7 0.545,8 4.172,9 4.292,10 3.664,11 3.706,12 5.233,13 3.669,14 4.696,15 4.879,16 3.945,17 4.054,18 5.738,19 3.987,20 4.916,21 5.12,22 3.935,23 4.178,24 5.843,25 4.071,26 5.01,27 5.263,28 3.845,29 4.148,30 5.879,31 4.015,32 4.915,33 5.151,34 3.837,35 4.137,36 5.81,37 4.004,38 4.962,39 5.216,40 3.774,41 4.104,42 5.818,43 3.96,44 4.87,45 5.124,46 3.648,47 3.979,48 5.734,49 3.833,50 4.747,51 5.002,52 3.566,53 3.849,54 5.594,55 3.716,56 0.039,57 0.816,58 13.479,59 5.873,60 9.391,61 7.835,62 0.404,63 1.286,64 24.53,65 9.213,66 37.587,67 12.685,68 0.253,69 1.512,70 30.824,71 12.157,72 35.943,73 16.466,74 0.424,75 1.594,76 35.176,77 12.817,78 49.867,79 17.925,80 0.284,81 1.51,82 31.066,83 12.131,84 38.401,85 16.987,86 0.297,87 1.53,88 33.209,89 12.48,90 42.422,91 17.512,92 0.383,93 1.393,94 30.566,95 11.033,96 44.49,97 15.495,98 0.249,99 1.218,100 26.957,101 9.751,102 32.007,103 13.678,104 13,105 42,106 0.227,107 0.511,108 0.693,109 0.815,110 0.864,111 0.864,112 3.47,113 0.959,114 -5.08,115 -4.98,116 -4.66,121 42.6,123 2,126 2,127 3,144 13,145 3,146 2,161 1,176 16,179 1,180 7,183 2,187 19,192 6,200 15,205 1,206 5,211 2,214 12,218 1,219 4,224 2,227 13,232 5,237 1,239 8,243 1,244 7,247 1,251 4,256 4,264 3,268 1,269 4,274 1,277 8,281 1803,282 21.162,283 21.162,284 21.162,285 21.162,286 21.162,287 18.809,288 28.066,289 13.069,290 21.601,291 16.293,292 16.293,293 16.293,294 16.293,295 16.293,296 12.8,297 36.665,298 6.253,299 16.931,300 4.527,301 2.77,302 1.639,303 0.883,304 0.582,305 0.582,306 4.158,311 1,312 1,313 1066,314 4.062,318 376.744,325 2.558,326 19.13,329 1,330 0.83,331 0.83,332 1,333 0.5,334 0.83,335 0.5,336 0.79,337 66,338 505,339 4.105,340 3.66,341 5.681,342 3.723,343 2.761,344 3.688,345 2.186,346 7.996,347 2.702,348 4.087,349 3.013,350 5.616,351 3.715,352 2.726,353 3.676,354 0.916,355 7.788,356 2.661,357 3.858,358 2.984,359 5.331,360 3.444,361 2.479,362 3.409,363 0.86,364 6.95,365 2.398,366 3.672,367 2.813,368 5.289,369 3.378,370 2.445,371 2.886,372 0.68,373 6.814,374 2.259,375 3.44,376 2.63,377 4.955,378 3.123,379 2.167,380 2.738,381 0.366,382 5.869,383 2.052,384 3.373,385 2.292,386 4.861,387 3.046,388 2.081,389 2.514,390 0.172,391 5.591,392 1.994,393 3.08,394 2.164,395 4.584,396 2.764,397 1.793,398 2.167,400 4.811,401 1.731,402 2.867,403 1.672,404 3.611,405 2.43,406 1.443,407 2.024,409 3.068,410 1.424,411 2.663,412 1.481,413 3.553,414 2.314,415 1.352,416 1.733,418 2.913,419 1.292,420 2.5,421 1.276,422 3.481,423 2.17,424 1.181,425 1.5,427 2.597,428 1.165,429 2.5,430 1.101,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.428,439 1,440 3.247,441 2,442 1,443 1.424,445 2.136,446 1,447 1.631,448 1,449 3.007,450 1.428,451 0.502,452 0.546,454 1.148,455 0.46,456 1.507,457 0.805,458 2.834,459 1.299,460 0.383,461 0.409,463 0.559,464 0.346,465 1.294,466 0.631,467 2.762,468 1.054,469 0.078,470 0.092,472 0.194,473 0.076,474 14.8,475 0.477,476 0.553,477 0.018,478 39.5,479 1.274,480 20.5,481 0.661,482 19,483 0.613,484 24.43,485 0.788,486 33.8,487 0.554,488 29.532,489 0.953,490 8.261,491 0.266,492 6.857,493 0.221,494 0.09,496 0.23,501 0.818,502 1.317,503 0.869,504 1.163,505 0.649,506 1.04,507 0.928,508 0.931,509 0.991,510 0.95,511 0.569,512 0.961,513 1.157,514 1.153,515 1.107,516 1.161,517 0.874,518 1.137,519 1.135,520 0.907,521 0.997,522 0.908,523 1.042,524 0.934,525 0.818,526 1.072,527 1.008,528 1.081,529 0.909,530 1.073,531 0.998,532 1.042,533 0.999,534 1.028,535 0.841,536 1.02,537 1.088,538 0.977,539 1.079,540 1.02,541 1.041,542 1.046,543 1.129,544 1.062,545 1.004,546 1.041,547 0.755,548 1.013,549 6,550 0.07,551 1.778,552 1.438,553 1.076,554 0.507,555 0.544,556 0.351,557 0.189,558 0.133,559 16127,560 39819,561 2.05,562 49.2,563 2,564 25,567 1,570 2,572 1.727,573 1.958,574 3.969,575 -0.425,582 85.602,583 1.403,584 3.161,585 4.292,586 5.048,587 5.349,588 5.349,589 3.413,590 4.478,591 4.926,592 4.163,593 1935.95,594 8.55,595 31431.3,600 361.775,601 1.191,602 4.904,603 0.182,604 0.003,605 0.042,606 0.036,607 0.03,608 0.014,609 0.016,610 0.013,611 0.007,612 0.006,613 0.349,614 0.33,615 0.88,616 0.965,617 168.935,619 -0.145,620 0.053,621 -0.075,622 -0.027,623 -0.015,624 0.162,625 0.183,626 -0.012,627 0.054,628 0.175,629 0.013,630 -0.098,631 -0.146,632 -0.133,633 -0.142,634 -0.05,635 -0.143,636 -0.054,637 0.053,638 0.002,639 0.063,640 -0.033,641 0.041,642 0.014,643 -0.077,644 -0.047,645 -0.078,646 -0.03,647 -0.073,648 -0.051,649 -0.086,650 -0.018,651 -0.045,652 -0.042,653 -0.032,654 -0.018,655 -0.005,656 -0.081,657 -0.059,658 -0.071,659 -0.077,660 -0.048,661 -0.108,662 -0.004,663 -0.075,664 0.017,665 -0.04,666 2.129,667 4.349,668 0.581,669 40.758,670 0.993,671 1.122,672 3.849,673 14.817,674 0.656,675 3.526,676 3.761,677 3.912,678 4.094,679 4.263,680 4.19,681 4.248,682 4.317,683 4.234,684 4.234,685 9.406,686 0.616,687 418.58,688 3.526,689 5.017,690 5.808,691 6.632,692 7.435,693 8.263,694 9.072,695 9.902,696 10.713,697 11.543,698 3.3,701 1,705 1,715 13,720 5,722 18,737 1,739 1,741 61,743 19,744 3,745 33,747 63,748 26,749 18,750 5,751 13,756 3,757 3,770 2,772 19,773 7,777 1,782 1,786 1,793 30,794 5,795 1,796 5,802 2,808 1,809 3,829 3,855 1,859 3,864 2,868 31,876 5,877 1,878 2,881 1,893 4.9,896 1,898 2,901 15.833,902 11.283,903 7.083,904 3.56,907 3.086,908 1.423,909 0.954,910 8.949,911 10.384,912 3.784,913 4.284,914 4.721,915 5.213,916 5.705,917 5.647,918 5.881,919 6.211,920 6.29,921 6.483,922 0.909,923 40,924 11.428,926 4.577,927 0.026,929 7.629,931 22.123,933 17.271,936 2.129,937 66,941 341.362,942 180.663,943 21.135,945 47.145,948 180.663,949 388.507,950 21.135,951 16.793,952 31.884,953 123.191,954 25.145,955 45.168,956 6.763,957 341.362,959 341.362,960 201.798,961 47.145,964 317.82,965 70.687,968 35.008,969 166.79,972 341.362,973 68.28,974 180.663,977 341.362,978 40.679,979 143.108,980 18.011,981 47.145,982 341.362,983 68.28,984 180.663,986 0.558,987 0.306,988 0.158,989 0.087,990 16,991 7,992 0.175,993 11,995 1,996 4.534,997 242.822,999 18,1000 145.58,1005 22.858,1006 12.137,1007 8.082,1009 68.28,1010 26.391,1015 5.132,1017 18.011,1018 590.305,1019 43,1024 11.349,1028 -0.462,1031 60.556,1032 68.438,1034 0.237,1035 0.533,1036 0.724,1037 0.851,1038 0.902,1039 0.902,1040 4.966,1041 1.443,1042 5.733,1043 4.811,1044 4.443,1045 4.97,1046 2.598,1047 6.399,1048 4.371,1049 6.115,1050 1.352,1051 7.195,1052 3.068,1053 3.761,1054 4.46,1055 1.847,1056 6.934,1057 3.642,1058 7.364,1059 1.181,1060 8.744,1061 2.913,1062 5.9,1063 7.006,1064 3.563,1065 9.956,1066 5.76,1067 8.641,1068 1,1069 10.342,1070 2.597,1071 5.994,1072 7.244,1073 3.603,1074 11.265,1075 5.802,1076 9.944,1077 1,1078 11.971,1079 2.275,1080 7.57,1081 9.283,1082 4.918,1083 13.752,1084 7.371,1085 11.265,1086 0.502,1087 13.62,1088 2.136,1089 8.055,1090 9.901,1091 5.291,1092 15.415,1093 7.809,1094 12.6,1095 0.383,1096 15.282,1097 1.148,1098 9.358,1099 11.682,1100 6.389,1101 17.673,1102 9.107,1103 2.761,1104 0.078,1105 16.954,1106 0.559,1107 10.062,1108 12.525,1109 6.93,1110 19.52,1111 9.77,1112 2.726,1113 7.996,1114 18.634,1115 0.194,1116 11.22,1117 14.148,1118 7.902,1119 21.671,1120 10.923,1121 2.479,1122 7.788,1123 20.319,1124 3.688,1125 12.05,1126 15.138,1127 8.539,1128 23.615,1129 11.717,1130 2.445,1131 6.95,1132 22.01,1133 3.676,1134 13.13,1135 16.656,1136 9.436,1137 25.715,1138 12.79,1139 2.167,1140 6.814,1141 23.703,1142 3.409,1143 14.033,1144 17.745,1145 10.13,1146 27.713,1147 13.663,1148 2.081,1149 5.869,1150 25.401,1151 2.886,1152 15.072,1153 19.192,1154 10.981,1155 29.79,1156 14.692,1157 1.793,1158 5.591,1159 27.101,1160 2.738,1161 16.017,1162 20.348,1163 11.71,1164 31.817,1165 15.61,1166 15577,1167 24622,1168 22.246,1169 40.034,1170 46.937,1171 48.231,1172 48.092,1173 46.776,1174 46.78,1175 60.611,1176 10.363,1177 121.417,1178 45.119,1179 5.037,1180 5.66,1181 5.483,1182 4.787,1183 4.761,1184 6.688,1185 3.889,1186 13.757,1187 4.702,1188 13.464,1189 1.422,1190 1.462,1191 1.457,1192 1.417,1193 1.418,1194 1.837,1195 0.314,1196 3.679,1197 1.367,1198 3.997,1199 4.025,1200 3.928,1201 3.933,1202 7.435,1203 3.927,1204 3.931,1205 3.959,1206 3.869,1207 3.854,1208 4.868,1209 3.853,1210 3.823,1211 3.85,1212 3.752,1213 3.755,1214 4.809,1215 3.75,1216 3.665,1217 3.73,1218 3.537,1219 3.487,1220 4.731,1221 3.486,1222 3.528,1223 3.589,1224 3.435,1225 3.218,1226 4.361,1227 3.263,1228 3.353,1229 3.426,1230 3.203,1231 3.141,1232 4.299,1233 3.146,1234 3.155,1235 3.215,1236 3.005,1237 3.039,1238 4.183,1239 3.023,1240 3.029,1241 3.084,1242 2.848,1243 2.808,1244 4.015,1245 2.798,1246 0.124,1247 0.111,1248 0.172,1249 0.113,1250 0.084,1251 4.105,1252 0.112,1253 3.66,1254 0.066,1255 5.681,1256 0.242,1257 3.723,1258 0.082,1259 2.761,1260 3.688,1261 2.186,1262 7.996,1263 2.702,1264 1.969,1265 1.944,1266 2.087,1267 2.049,1268 1.258,1269 2.062,1270 1.91,1271 1.885,1272 2.032,1273 2.022,1274 1.236,1275 2.027,1276 1.823,1277 1.798,1278 1.952,1279 1.923,1280 1.115,1281 1.933,1282 1.642,1283 1.575,1284 1.877,1285 1.842,1286 1.006,1287 1.854,1288 1.405,1289 1.336,1290 1.691,1291 1.731,1292 0.783,1293 1.718,1294 1.325,1295 1.249,1296 1.633,1297 1.578,1298 0.681,1299 1.599,1300 1.174,1301 1.118,1302 1.43,1303 1.339,1304 0.61,1305 1.373,1306 1.003,1307 0.927,1308 1.354,1309 1.264,1310 0.497,1311 1.281,1312 4.205,1314 5.46,1316 6.893,1318 8.403,1320 9.952,1322 3.617,1328 4.214,1329 2.45,1330 11.082,1333 2.228,1340 37.562,1341 85.602,1342 192.809,1343 261.795,1344 307.901,1345 326.265,1346 326.265,1347 51.296,1348 7.298,1349 50.8,1350 50.8,1351 18,1352 12.12,1353 4.322,1354 3.459,1355 58.902,1356 179,1357 153,1358 0.155,1359 234.294,1360 410.55,1361 563.439,1362 17647,1364 21.891,1365 0.706,1366 0.588,1367 21.891,1368 18.213,1369 15.119,1370 0.458,1371 0.32,1372 10.412,1373 14.596,1374 10.083,1375 8.47,1376 15.119,1377 10.549,1378 12.9,1379 0.307,1380 0.179,1381 12.9,1382 7.533,1383 9.977,1384 0.204,1385 0.1,1386 9.977,1387 4.893,1388 7.829,1389 0.133,1390 0.056,1391 7.829,1392 3.316,1393 6.179,1394 0.088,1395 0.031,1396 6.179,1397 2.173,1398 0.261,1399 94.268,1400 0.212,1401 30.565,1402 0.384,1403 150,1404 425.185,1405 163.432,1406 408.544,1407 552.97,1408 384,1409 166,1410 396.533,1411 178.135,1412 404.048,1413 577.73,1414 377,1415 7.607}
{0 CHEMBL1086247,1 1.44,2 14.036,3 4.27,4 18.235,5 111.174,6 7.009,7 0.567,8 4.062,9 4.178,10 3.575,11 3.588,12 5.137,13 3.56,14 4.586,15 4.765,16 3.871,17 3.94,18 5.654,19 3.886,20 4.798,21 4.996,22 3.875,23 4.067,24 5.755,25 3.976,26 4.878,27 5.12,28 3.769,29 4.019,30 5.792,31 3.901,32 4.787,33 5.019,34 3.692,35 3.96,36 5.698,37 3.834,38 4.805,39 5.062,40 3.598,41 3.901,42 5.651,43 3.762,44 4.712,45 4.961,46 3.495,47 3.827,48 5.578,49 3.685,50 4.634,51 4.885,52 3.451,53 3.766,54 5.476,55 3.622,56 0.024,57 0.731,58 11.73,59 5.127,60 7.914,61 6.757,62 0.388,63 1.151,64 21.731,65 8.017,66 35.156,67 10.935,68 0.237,69 1.342,70 27.227,71 10.635,72 32.519,73 14.228,74 0.386,75 1.397,76 30.796,77 11.03,78 46.514,79 15.266,80 0.282,81 1.302,82 27.532,83 10.305,84 37.359,85 14.307,86 0.284,87 1.284,88 28.731,89 10.354,90 38.383,91 14.53,92 0.377,93 1.191,94 26.187,95 9.251,96 40.133,97 12.933,98 0.184,99 1.112,100 23.741,101 8.828,102 27.386,103 12.509,104 13,105 39,106 0.239,107 0.538,108 0.723,109 0.852,110 0.882,111 0.894,112 3.373,113 0.943,114 -4.53,115 -4.46,116 -4.2,121 42.6,123 1,126 2,127 3,144 11,145 3,146 2,161 1,176 13,179 1,180 7,183 2,187 16,192 6,200 12,205 1,206 6,211 2,214 7,218 1,219 5,224 2,227 5,232 5,237 1,239 3,243 1,244 5,247 1,251 3,256 3,264 3,268 1,269 4,274 1,277 6,281 1306,282 19.093,283 19.093,284 19.093,285 19.093,286 19.093,287 16.948,288 20.79,289 11.664,290 19.532,291 14.798,292 14.798,293 14.798,294 14.798,295 14.798,296 11.54,297 26.371,298 5.543,299 15.434,300 4.315,301 2.508,302 1.39,303 0.611,304 0.435,305 0.361,306 4.06,311 1,312 1,313 836,314 3.937,318 279.51,322 146.79,325 2.11,326 18.355,328 1,329 1,330 1,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.88,337 60,338 393,339 4.406,340 3.66,341 6.183,342 3.915,343 2.923,344 4.336,345 2.186,346 9.226,347 2.901,348 4.105,349 3.022,350 5.681,351 3.723,352 2.761,353 3.688,354 0.916,355 7.996,356 2.661,357 3.673,358 2.982,359 5.291,360 3.381,361 2.452,362 3.056,363 0.86,364 6.817,365 2.261,366 3.647,367 2.65,368 5.256,369 3.24,370 2.302,371 2.885,372 0.366,373 6.677,374 2.148,375 3.376,376 2.606,377 4.862,378 3.109,379 2.156,380 2.514,381 0.172,382 5.592,383 2.036,384 3.118,385 2.167,386 4.584,387 2.765,388 1.794,389 2.427,391 4.812,392 1.732,393 3.082,394 1.671,395 4.415,396 2.618,397 1.618,398 2.17,400 4.37,401 1.618,402 2.904,403 1.618,404 3.641,405 2.436,406 1.46,407 2.093,409 3.089,410 1.423,411 2.663,412 1.397,413 3.554,414 2.299,415 1.329,416 1.733,418 2.861,419 1.281,420 2.437,421 1.274,422 3.481,423 2.169,424 1.18,425 1.432,427 2.595,428 1.164,429 2.172,430 1.101,431 3.174,432 1.705,433 0.716,434 1.028,436 1.64,437 0.706,438 1.535,439 0.817,440 2.965,441 1.328,442 0.405,443 0.445,445 0.93,446 0.371,447 1.507,448 0.64,449 2.82,450 1.298,451 0.382,452 0.408,454 0.558,455 0.345,456 1.186,457 0.615,458 2.553,459 0.812,460 -0.157,461 -0.185,463 -0.394,464 -0.151,465 1.073,466 0.13,467 2.254,468 0.713,469 -0.261,470 -0.337,472 -0.612,473 -0.249,474 13.3,475 0.475,476 0.537,477 0.019,478 36,479 1.286,480 18.5,481 0.661,482 17.5,483 0.625,484 21.209,485 0.757,486 30.5,487 0.565,488 26.373,489 0.942,490 7.503,491 0.268,492 6.132,493 0.219,494 0.1,496 0.256,501 0.819,502 1.333,503 0.842,504 1.163,505 0.643,506 1.026,507 0.929,508 0.881,509 0.957,510 0.896,511 0.549,512 0.91,513 1.167,514 1.108,515 1.066,516 1.11,517 0.86,518 1.084,519 1.155,520 0.95,521 1.019,522 0.95,523 1.065,524 0.966,525 0.961,526 1.112,527 1.058,528 1.121,529 0.962,530 1.109,531 1.045,532 1.034,533 0.994,534 1.011,535 0.845,536 1.002,537 1.11,538 0.939,539 1.126,540 0.989,541 1.095,542 1.051,543 0.844,544 1.169,545 1.017,546 1.138,547 0.688,548 1.109,549 5.5,550 0.103,551 2,552 1.438,553 1.138,554 0.521,555 0.444,556 0.252,557 0.209,558 0.132,559 11646,560 29687,561 2.055,562 48.1,564 23,567 1,570 2,572 1.702,573 1.953,574 3.77,575 -0.394,577 1,582 77.756,583 1.44,584 3.247,585 4.365,586 5.143,587 5.32,588 5.394,589 3.226,590 4.593,591 4.782,592 3.947,593 1492.13,594 8.266,595 21715.5,597 1,599 1,600 310.764,601 1.255,602 4.752,603 0.183,604 0.005,605 0.051,606 0.038,607 0.034,608 0.017,609 0.016,610 0.01,611 0.009,612 0.006,613 0.371,614 0.33,615 1,616 1.032,617 146.082,618 -0.009,619 -0.162,620 0.056,621 -0.084,622 -0.037,623 -0.017,624 0.153,625 0.235,626 0.012,627 0.098,628 0.185,629 0.051,630 -0.108,631 -0.103,632 -0.098,633 -0.093,634 -0.041,635 -0.095,636 -0.06,637 0.013,638 -0.021,639 0.021,640 -0.04,641 0.006,642 -0.011,643 -0.132,644 -0.085,645 -0.133,646 -0.043,647 -0.124,648 -0.058,649 -0.096,650 -0.002,651 -0.041,652 -0.029,653 -0.02,654 -0.06,655 0.035,656 -0.13,657 -0.032,658 -0.115,659 -0.085,660 -0.019,661 -0.206,662 -0.049,663 -0.157,664 0.001,665 -0.117,666 2.128,667 4.321,668 0.571,669 29.689,670 0.996,671 1.122,672 3.3,673 10.891,674 0.658,675 3.434,676 3.689,677 3.871,678 4.078,679 4.263,680 4.22,681 4.248,682 4.29,683 4.234,684 4.078,685 8.207,686 0.621,687 378.51,688 3.434,689 4.934,690 5.74,691 6.578,692 7.398,693 8.241,694 9.068,695 9.913,696 10.743,697 11.59,698 3.7,701 1,705 1,714 2,715 11,720 3,722 17,737 1,739 1,741 54,743 18,744 3,745 30,747 56,748 23,749 16,750 5,751 11,756 3,757 4,770 1,772 17,773 6,777 1,782 1,786 1,790 1,793 26,794 5,795 1,796 5,802 2,808 0.667,809 3,829 3,833 1,855 1,859 2,864 2,868 28,876 4,877 1,878 2,881 1,893 5.6,896 1,898 2,901 14.333,902 10.117,903 6.361,904 3.15,907 3.275,908 1.455,909 0.961,910 7.29,911 10.474,912 3.701,913 4.248,914 4.766,915 5.328,916 5.88,917 6.022,918 6.292,919 6.59,920 6.758,921 6.201,922 1,923 38,924 10.317,926 4.167,927 0.026,929 7.661,931 19.893,933 15.606,936 2.161,937 60.5,939 1,940 1,941 294.278,942 157.951,943 21.135,945 47.145,948 157.951,949 341.422,950 21.135,951 16.793,952 29.349,953 104.239,954 25.145,955 43.942,956 6.763,957 294.278,959 294.278,960 179.086,961 47.145,964 270.735,965 70.687,968 32.473,969 146.612,972 294.278,973 68.28,974 157.951,977 294.278,978 36.919,979 124.156,980 18.011,981 47.145,982 294.278,983 68.28,984 157.951,986 0.562,987 0.314,988 0.165,989 0.091,990 16,991 7,992 0.161,993 9,994 1,995 1.125,996 4.192,997 216.824,998 0.125,999 16,1000 134.606,1005 20.183,1006 10.114,1007 6.244,1008 2.41,1009 68.28,1010 22.039,1015 2.546,1017 18.011,1018 520.508,1019 39.5,1024 11.321,1028 -0.462,1031 53.789,1032 60.607,1034 0.25,1035 0.564,1036 0.758,1037 0.894,1038 0.924,1039 0.937,1040 4.892,1041 1.46,1042 5.68,1043 4.37,1044 4.369,1045 4.934,1046 2.527,1047 6.385,1048 4.293,1049 6.062,1050 1.329,1051 7.168,1052 3.089,1053 3.761,1054 4.605,1055 1.847,1056 7.034,1057 3.642,1058 7.334,1059 1.18,1060 8.748,1061 2.861,1062 5.861,1063 7.088,1064 3.551,1065 10.082,1066 5.715,1067 8.639,1068 0.716,1069 10.382,1070 2.595,1071 6.043,1072 7.591,1073 3.603,1074 11.549,1075 5.861,1076 9.974,1077 0.405,1078 12.052,1079 1.64,1080 7.588,1081 9.547,1082 4.916,1083 14.083,1084 7.393,1085 11.332,1086 0.382,1087 13.746,1088 0.93,1089 8.173,1090 10.49,1091 5.291,1092 15.928,1093 7.954,1094 12.708,1095 -0.157,1096 15.459,1097 0.558,1098 9.459,1099 12.196,1100 6.389,1101 18.26,1102 9.232,1103 2.923,1104 -0.261,1105 17.186,1106 -0.394,1107 10.261,1108 13.381,1109 6.93,1110 20.291,1111 10.021,1112 2.761,1113 9.226,1114 18.924,1115 -0.612,1116 11.42,1117 14.959,1118 7.902,1119 22.542,1120 11.174,1121 2.452,1122 7.996,1123 20.673,1124 4.336,1125 12.339,1126 16.276,1127 8.539,1128 24.664,1129 12.086,1130 2.302,1131 6.817,1132 22.429,1133 3.688,1134 13.438,1135 17.791,1136 9.436,1137 26.885,1138 13.181,1139 2.156,1140 6.677,1141 24.193,1142 3.056,1143 14.42,1144 19.177,1145 10.13,1146 29.051,1147 14.158,1148 1.794,1149 5.592,1150 25.964,1151 2.885,1152 15.492,1153 20.662,1154 10.981,1155 31.264,1156 15.226,1157 1.618,1158 4.812,1159 27.74,1160 2.514,1161 16.508,1162 22.084,1163 11.71,1164 33.453,1165 16.238,1166 11231,1167 18055,1168 20.167,1169 35.512,1170 43.013,1171 44.486,1172 44.21,1173 42.926,1174 42.957,1175 56.432,1176 9.003,1177 114.324,1178 41.293,1179 5.338,1180 5.66,1181 5.87,1182 4.979,1183 4.923,1184 7.336,1185 3.889,1186 15.535,1187 4.901,1188 12.431,1189 1.434,1190 1.483,1191 1.474,1192 1.431,1193 1.432,1194 1.881,1195 0.3,1196 3.811,1197 1.376,1198 4.081,1199 4.1,1200 4.032,1201 4.036,1202 7.435,1203 4.032,1204 3.939,1205 3.969,1206 3.877,1207 3.857,1208 4.948,1209 3.857,1210 3.685,1211 3.745,1212 3.558,1213 3.505,1214 4.813,1215 3.507,1216 3.535,1217 3.592,1218 3.45,1219 3.371,1220 4.57,1221 3.368,1222 3.481,1223 3.527,1224 3.38,1225 3.215,1226 4.32,1227 3.259,1228 3.303,1229 3.379,1230 3.132,1231 3.113,1232 4.222,1233 3.108,1234 3.048,1235 3.098,1236 2.927,1237 2.956,1238 4.083,1239 2.943,1240 3.028,1241 3.083,1242 2.848,1243 2.808,1244 4.012,1245 2.799,1246 0.147,1247 0.122,1248 0.206,1249 0.13,1250 0.097,1251 4.406,1252 0.145,1253 3.66,1254 0.073,1255 6.183,1256 0.308,1257 3.915,1258 0.097,1259 2.923,1260 4.336,1261 2.186,1262 9.226,1263 2.901,1264 2.065,1265 2.047,1266 2.149,1267 2.124,1268 1.28,1269 2.133,1270 1.91,1271 1.885,1272 2.032,1273 2.023,1274 1.246,1275 2.027,1276 1.655,1277 1.593,1278 1.889,1279 1.863,1280 1.113,1281 1.872,1282 1.472,1283 1.433,1284 1.692,1285 1.735,1286 0.787,1287 1.719,1288 1.402,1289 1.333,1290 1.662,1291 1.639,1292 0.681,1293 1.648,1294 1.303,1295 1.222,1296 1.599,1297 1.51,1298 0.675,1299 1.545,1300 1.064,1301 1.018,1302 1.355,1303 1.265,1304 0.497,1305 1.281,1306 1.003,1307 0.927,1308 1.288,1309 1.207,1310 0.408,1311 1.236,1312 4.111,1314 5.38,1316 6.836,1318 8.38,1320 9.972,1322 3.613,1328 3.287,1329 2.446,1330 11.074,1333 2.225,1340 33.509,1341 77.756,1342 175.353,1343 235.691,1344 277.744,1345 287.254,1346 291.254,1347 42.696,1348 7.2,1349 50.8,1350 50.8,1351 18,1352 12.154,1353 4.248,1354 3.392,1355 50.215,1356 141,1357 122,1358 0.169,1359 208.445,1360 361.29,1361 500.365,1362 15082,1364 19.769,1365 0.706,1366 0.584,1367 19.769,1368 16.351,1369 13.635,1370 0.455,1371 0.314,1372 9.289,1373 13.113,1374 9.002,1375 7.551,1376 13.635,1377 9.425,1378 11.757,1379 0.301,1380 0.173,1381 11.757,1382 6.736,1383 9.267,1384 0.197,1385 0.094,1386 9.267,1387 4.439,1388 7.412,1389 0.128,1390 0.052,1391 7.412,1392 3.038,1393 5.899,1394 0.084,1395 0.028,1396 5.899,1397 1.989,1398 0.28,1399 85.369,1400 0.223,1401 27.78,1402 0.426,1403 138,1404 403.185,1405 151.432,1406 385.137,1407 523.15,1408 362,1409 155,1410 378.533,1411 167.135,1412 384.246,1413 553.18,1414 359,1415 7.083}
{0 CHEMBL1086248,1 1.47,2 12.375,3 3.362,4 11.302,5 94.724,6 6.843,7 0.48,8 3.936,9 4.058,10 3.419,11 3.414,12 5.011,13 3.389,14 4.458,15 4.649,16 3.681,17 3.735,18 5.53,19 3.68,20 4.652,21 4.861,22 3.65,23 3.836,24 5.599,25 3.743,26 4.72,27 4.972,28 3.555,29 3.79,30 5.625,31 3.675,32 4.618,33 4.849,34 3.517,35 3.793,36 5.533,37 3.667,38 4.698,39 4.963,40 3.454,41 3.78,42 5.536,43 3.631,44 4.608,45 4.87,46 3.342,47 3.67,48 5.477,49 3.523,50 4.474,51 4.731,52 3.278,53 3.566,54 5.337,55 3.428,56 0.017,57 0.652,58 10.796,59 4.452,60 7.233,61 6.035,62 0.382,63 0.981,64 19.798,65 6.714,66 34.576,67 9.49,68 0.232,69 1.107,70 24.17,71 8.687,72 31.617,73 11.981,74 0.4,75 1.122,76 26.777,77 8.712,78 44.219,79 12.47,80 0.261,81 1.084,82 23.358,83 8.429,84 32.46,85 12.008,86 0.241,87 1.12,88 25.709,89 8.986,90 34.648,91 13.079,92 0.363,93 1.019,94 23.826,95 7.888,96 38.865,97 11.443,98 0.183,99 0.903,100 20.443,101 7.051,102 25.345,103 10.267,104 13,105 31,106 0.253,107 0.551,108 0.729,109 0.839,110 0.87,111 0.87,112 3.226,113 0.962,114 -3.8,115 -3.76,116 -3.57,121 39.6,123 1,126 2,127 3,144 9,145 1,146 2,161 1,176 8,179 1,180 7,183 2,187 8,192 6,200 4,205 1,206 5,211 2,214 3,218 1,219 3,224 2,227 4,232 4,237 1,239 2,243 1,244 5,247 1,251 1,256 2,264 2,268 1,269 2,274 1,277 6,281 906,282 16.284,283 16.284,284 16.284,285 16.284,286 16.284,287 14.654,288 20.79,289 10.172,290 16.723,291 12.326,292 12.326,293 12.326,294 12.326,295 12.326,296 9.895,297 26.371,298 4.843,299 12.965,300 4.115,301 2.383,302 1.35,303 0.714,304 0.531,305 0.531,306 3.894,310 1,311 1,312 1,313 611,314 3.808,318 188.921,325 2.042,326 16.771,327 1,328 1,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 52,338 297,339 4.105,340 3.66,341 5.681,342 3.723,343 2.761,344 3.688,345 2.186,346 7.996,347 2.661,348 3.897,349 2.986,350 5.34,351 3.469,352 2.525,353 3.444,354 0.916,355 6.966,356 2.383,357 3.672,358 2.869,359 5.289,360 3.377,361 2.447,362 2.885,363 0.86,364 6.814,365 2.259,366 3.377,367 2.63,368 4.862,369 3.115,370 2.162,371 2.515,372 0.366,373 5.592,374 2.042,375 3.087,376 2.171,377 4.584,378 2.771,379 1.8,380 2.182,381 0.172,382 4.812,383 1.737,384 2.938,385 1.836,386 3.708,387 2.535,388 1.585,389 2.096,391 3.305,392 1.495,393 2.661,394 1.401,395 3.499,396 2.25,397 1.275,398 1.731,400 2.724,401 1.239,402 2.5,403 1.269,404 3.418,405 2.16,406 1.174,407 1.5,409 2.571,410 1.154,411 2.391,412 1.101,413 3.247,414 2,415 1,416 1.383,418 2.136,419 1,420 1.508,421 1,422 2.914,423 1.323,424 0.406,425 0.437,427 0.911,428 0.369,429 1.507,430 0.711,431 2.808,432 1.298,433 0.382,434 0.408,436 0.558,437 0.345,438 1.184,439 0.628,440 2.447,441 0.798,442 -0.172,443 -0.201,445 -0.421,446 -0.165,447 1.018,448 0.124,449 2,450 0.707,451 -0.265,452 -0.34,454 -0.632,455 -0.252,456 0.741,457 -0.21,458 1.928,459 0.441,460 -0.506,461 -0.573,463 -1.115,464 -0.474,465 0.5,466 -0.374,467 1.614,469 -1,470 -1.151,472 -2.154,473 -0.933,474 11.3,475 0.471,476 0.417,477 0.017,478 29.5,479 1.229,480 14.5,481 0.604,482 15,483 0.625,484 17.623,485 0.734,486 27.1,487 0.565,488 20.927,489 0.872,490 6.297,491 0.262,492 5.372,493 0.224,494 0.118,496 0.212,501 0.834,502 1.467,503 0.872,504 1.27,505 0.641,506 1.101,507 0.947,508 0.931,509 0.99,510 0.944,511 0.555,512 0.952,513 1.208,514 1.161,515 1.083,516 1.154,517 0.879,518 1.112,519 1.224,520 0.897,521 1.005,522 0.878,523 1.102,524 0.906,525 0.901,526 1.132,527 1.074,528 1.136,529 0.978,530 1.136,531 0.846,532 1.076,533 0.958,534 1.051,535 0.773,536 1.03,537 1.019,538 0.924,539 1.073,540 0.971,541 1.046,542 1.023,543 0.887,544 1.125,545 0.99,546 1.099,547 0.695,548 1.066,549 4.5,550 0.058,551 1.333,552 1.188,553 0.693,554 0.438,555 0.384,556 0.24,557 0.16,558 0.087,559 7113,560 18938,561 1.996,562 50,564 21,567 1,570 2,572 1.662,573 1.895,574 3.603,575 -0.342,576 1,577 1,582 70.574,583 1.47,584 3.202,585 4.235,586 4.871,587 5.054,588 5.054,589 3.094,590 4.085,591 4.556,592 3.776,593 1042.27,594 7.825,595 13403.9,597 1,599 1,600 268.078,601 1.236,602 4.528,603 0.18,604 0.004,605 0.043,606 0.041,607 0.027,608 0.018,609 0.017,610 0.012,611 0.008,612 0.005,613 0.354,614 0.5,615 1,616 1.139,617 118.584,618 -0.015,619 -0.232,620 0.051,621 -0.134,622 -0.033,623 -0.046,624 0.152,625 0.2,626 -0.001,627 0.058,628 0.19,629 0.02,630 -0.114,631 -0.156,632 -0.102,633 -0.135,634 -0.039,635 -0.12,636 -0.084,637 0.049,638 0.001,639 0.074,640 -0.042,641 0.052,642 -0.028,643 -0.123,644 -0.118,645 -0.127,646 -0.065,647 -0.139,648 -0.027,649 -0.133,650 0.002,651 -0.073,652 -0.018,653 -0.039,654 -0.036,655 0.037,656 -0.088,657 -0.022,658 -0.092,659 -0.061,660 -0.034,661 -0.162,662 -0.026,663 -0.124,664 0.008,665 -0.081,666 2.126,667 4.248,668 0.5,669 25.042,670 0.998,671 1.129,672 2.569,673 6.601,674 0.641,675 3.258,676 3.466,677 3.584,678 3.738,679 3.85,680 3.738,681 3.738,682 3.761,683 3.611,684 3.555,685 7.293,686 0.604,687 328.45,688 3.258,689 4.727,690 5.501,691 6.312,692 7.099,693 7.915,694 8.708,695 9.527,696 10.322,697 11.143,698 4.2,701 1,705 1,715 9,720 3,722 12,737 1,739 1,741 48,743 13,744 2,745 25,747 49,748 19,749 12,750 3,751 9,756 2,757 2,770 1,772 13,773 6,777 1,782 1,786 1,789 1,790 1,793 24,794 5,795 1,796 5,802 2,808 1,809 3,829 2,855 1,859 2,864 2,868 24,876 4,877 1,878 2,881 1,893 6.3,896 1,898 2,901 12.667,902 8.95,903 5.583,904 2.754,907 2.045,908 1.318,909 0.929,910 7.593,911 8.485,912 3.497,913 3.951,914 4.344,915 4.802,916 5.232,917 5.066,918 5.15,919 5.328,920 5.051,921 5.083,922 1,923 29,924 8.832,926 3.467,927 0.026,929 7.715,931 16.929,933 12.815,936 2.215,937 53.167,940 1,941 270.735,942 133.852,943 21.135,945 47.145,948 133.852,949 317.88,950 21.135,951 16.793,952 29.349,953 85.286,954 25.145,955 38.797,956 6.763,957 270.735,959 270.735,960 154.987,961 47.145,964 247.193,965 70.687,968 32.473,969 122.514,972 270.735,973 68.28,974 133.852,977 270.735,978 31.773,979 105.203,980 18.011,981 47.145,982 270.735,983 68.28,984 133.852,986 0.551,987 0.299,988 0.153,989 0.081,990 11,991 5,992 0.184,993 9,995 1,996 3.804,997 166.391,999 12,1000 106.039,1005 18.302,1006 9.958,1007 6.954,1009 68.28,1010 17.392,1015 2.551,1017 18.011,1018 472.867,1019 32,1024 11.248,1028 -0.46,1031 47.905,1032 54.192,1034 0.263,1035 0.573,1036 0.758,1037 0.872,1038 0.905,1039 0.905,1040 4.663,1041 1.174,1042 5.416,1043 2.724,1044 4.143,1045 4.635,1046 2.527,1047 6.057,1048 4.046,1049 5.795,1050 1,1051 6.864,1052 2.571,1053 3.434,1054 4.086,1055 1.847,1056 6.555,1057 3.264,1058 7.03,1059 0.406,1060 8.4,1061 2.136,1062 5.572,1063 6.622,1064 3.551,1065 9.575,1066 5.372,1067 8.293,1068 0.382,1069 9.988,1070 0.911,1071 5.638,1072 6.821,1073 3.603,1074 10.861,1075 5.352,1076 9.585,1077 -0.172,1078 11.607,1079 0.558,1080 7.219,1081 8.865,1082 4.916,1083 13.347,1084 6.923,1085 10.894,1086 -0.265,1087 13.248,1088 -0.421,1089 7.683,1090 9.448,1091 5.291,1092 14.995,1093 7.301,1094 12.219,1095 -0.506,1096 14.903,1097 -0.632,1098 8.987,1099 11.24,1100 6.389,1101 17.252,1102 8.601,1103 2.761,1104 -1,1105 16.569,1106 -1.115,1107 9.675,1108 12.053,1109 6.93,1110 19.089,1111 9.21,1112 2.525,1113 7.996,1114 18.243,1115 -2.154,1116 10.831,1117 13.687,1118 7.902,1119 21.238,1120 10.36,1121 2.447,1122 6.966,1123 19.923,1124 3.688,1125 11.647,1126 14.651,1127 8.539,1128 23.177,1129 11.108,1130 2.162,1131 6.814,1132 21.609,1133 3.444,1134 12.725,1135 16.179,1136 9.436,1137 25.276,1138 12.175,1139 1.8,1140 5.592,1141 23.298,1142 2.885,1143 13.616,1144 17.244,1145 10.13,1146 27.271,1147 13.007,1148 1.585,1149 4.812,1150 24.991,1151 2.515,1152 14.652,1153 18.699,1154 10.981,1155 29.349,1156 14.027,1157 1.275,1158 3.305,1159 26.688,1160 2.182,1161 15.587,1162 19.835,1163 11.71,1164 31.375,1165 14.912,1166 7110,1167 11723,1168 16.583,1169 30.75,1170 35.125,1171 36.345,1172 36.145,1173 35.011,1174 35.03,1175 44.538,1176 9.003,1177 88.771,1178 33.366,1179 5.035,1180 5.66,1181 5.483,1182 4.781,1183 4.761,1184 6.688,1185 3.889,1186 13.757,1187 4.661,1188 11.087,1189 1.405,1190 1.454,1191 1.446,1192 1.4,1193 1.401,1194 1.782,1195 0.36,1196 3.551,1197 1.335,1198 3.952,1199 3.983,1200 3.886,1201 3.865,1202 7.435,1203 3.864,1204 3.885,1205 3.91,1206 3.817,1207 3.809,1208 4.866,1209 3.807,1210 3.664,1211 3.73,1212 3.534,1213 3.484,1214 4.811,1215 3.483,1216 3.527,1217 3.589,1218 3.433,1219 3.217,1220 4.376,1221 3.262,1222 3.341,1223 3.418,1224 3.176,1225 3.124,1226 4.303,1227 3.125,1228 3.032,1229 3.085,1230 2.859,1231 2.819,1232 4.185,1233 2.813,1234 2.95,1235 3.021,1236 2.789,1237 2.767,1238 4.015,1239 2.766,1240 2.913,1241 2.979,1242 2.705,1243 2.735,1244 3.674,1245 2.715,1246 0.164,1247 0.146,1248 0.227,1249 0.149,1250 0.11,1251 4.105,1252 0.148,1253 3.66,1254 0.087,1255 5.681,1256 0.32,1257 3.723,1258 0.106,1259 2.761,1260 3.688,1261 2.186,1262 7.996,1263 2.661,1264 1.911,1265 1.885,1266 2.034,1267 2.026,1268 1.253,1269 2.03,1270 1.874,1271 1.849,1272 2.001,1273 1.977,1274 1.118,1275 1.985,1276 1.641,1277 1.574,1278 1.879,1279 1.846,1280 1.033,1281 1.857,1282 1.404,1283 1.335,1284 1.691,1285 1.731,1286 0.781,1287 1.718,1288 1.318,1289 1.238,1290 1.632,1291 1.573,1292 0.681,1293 1.596,1294 1.005,1295 0.932,1296 1.355,1297 1.265,1298 0.498,1299 1.281,1300 0.925,1301 0.877,1302 1.221,1303 1.195,1304 0.411,1305 1.202,1306 0.893,1307 0.834,1308 1.181,1309 1.153,1310 0.218,1311 1.174,1312 3.932,1314 5.165,1316 6.575,1318 8.063,1320 9.591,1322 3.603,1328 3.345,1329 2.436,1330 10.835,1333 2.216,1340 28.982,1341 70.574,1342 153.717,1343 203.284,1344 233.814,1345 242.568,1346 242.568,1347 39.314,1348 6.439,1349 50.8,1350 50.8,1351 12,1352 11.729,1353 3.807,1354 3,1355 48.837,1356 105,1357 94,1358 0.221,1359 183.324,1360 320.63,1361 439.07,1362 5349,1364 17.2,1365 0.717,1366 0.592,1367 17.2,1368 14.197,1369 11.669,1370 0.467,1371 0.321,1372 7.884,1373 11.147,1374 7.634,1375 6.435,1376 11.669,1377 8.02,1378 9.777,1379 0.315,1380 0.179,1381 9.777,1382 5.54,1383 7.344,1384 0.21,1385 0.099,1386 7.344,1387 3.462,1388 5.655,1389 0.138,1390 0.056,1391 5.655,1392 2.297,1393 4.247,1394 0.092,1395 0.031,1396 4.247,1397 1.426,1398 0.362,1399 73.571,1400 0.246,1401 24.392,1402 0.562,1403 112,1404 353.185,1405 125.432,1406 332.652,1407 444.29,1408 312,1409 122,1410 314.533,1411 134.135,1412 317.077,1413 452.43,1414 295,1415 7.099}
{0 CHEMBL1086358,1 1.801,2 10.148,3 4.317,4 18.636,5 103.78,6 9.625,7 0.586,8 3.861,9 3.946,10 3.628,11 3.46,12 5.168,13 3.451,14 4.299,15 4.424,16 4.014,17 3.829,18 5.527,19 3.806,20 4.515,21 4.644,22 4.172,23 3.948,24 5.795,25 3.92,26 4.622,27 4.763,28 4.166,29 3.929,30 6.011,31 3.897,32 4.604,33 4.766,34 4.143,35 3.862,36 5.957,37 3.845,38 4.52,39 4.673,40 4.13,41 3.828,42 5.892,43 3.8,44 4.523,45 4.679,46 4.012,47 3.802,48 5.866,49 3.73,50 4.367,51 4.549,52 3.742,53 3.677,54 5.632,55 3.582,56 0.203,57 0.565,58 4.985,59 3.397,60 15.469,61 3.696,62 0.255,63 0.862,64 10.398,65 5.758,66 21.291,67 6.683,68 0.448,69 1.014,70 16.769,71 7.04,72 37.864,73 7.379,74 0.709,75 1.098,76 22.692,77 7.764,78 62.149,79 8.119,80 0.746,81 1.056,82 22.351,83 7.844,84 78.403,85 7.907,86 0.616,87 0.964,88 18.44,89 7.147,90 57.978,91 7.542,92 0.762,93 0.892,94 28.224,95 8.005,96 74.526,97 8.384,98 0.539,99 0.793,100 21.52,101 7.137,102 71.379,103 8.193,104 39,105 41,106 0.312,107 0.664,108 0.757,109 0.871,110 0.896,111 0.896,112 3.34,113 0.899,114 -4.61,115 -4.53,116 -4.27,121 45.2,122 2,144 7,145 3,146 3,148 1,154 1,159 1,160 1,168 1,172 1,176 7,180 7,183 1,185 2,187 12,192 5,197 5,200 10,205 2,206 8,209 2,211 5,214 8,219 8,222 1,224 3,227 5,232 8,236 1,237 3,239 7,243 1,244 9,249 2,251 9,256 2,259 1,261 1,264 8,268 2,269 4,277 13,281 1095,282 17.922,283 17.922,284 17.922,285 17.922,286 17.922,287 15.201,288 14.892,289 10.336,290 18.284,291 14.172,292 14.172,293 14.172,294 14.172,295 14.172,296 10.411,297 13.672,298 4.754,299 14.8,300 3.591,301 1.561,302 1.028,303 0.369,304 0.226,305 0.226,306 4.015,308 2,311 1,312 1,313 575,314 3.464,317 77.413,318 177.466,325 1.361,326 32.335,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 59.167,338 274,339 4.597,340 3.745,341 6.911,342 4.228,343 3.243,344 4.307,345 1.869,346 11.551,347 3.195,348 4.322,349 3.655,350 6.218,351 3.906,352 2.945,353 3.97,354 1.058,355 9.236,356 2.831,357 4.075,358 3.212,359 6.119,360 3.661,361 2.698,362 3.651,364 8.722,365 2.575,366 3.883,367 3.118,368 5.832,369 3.459,370 2.519,371 3.267,373 7.864,374 2.336,375 3.386,376 2.72,377 4.973,378 2.964,379 1.979,380 2.606,382 5.428,383 1.926,384 3.129,385 2.638,386 4.846,387 2.726,388 1.767,389 2.35,391 4.996,392 1.68,393 2.932,394 2.062,395 4.218,396 2.393,397 1.414,398 2.025,400 3.756,401 1.382,402 2.86,403 1.856,404 4.107,405 2.35,406 1.414,407 2.013,409 3.466,410 1.259,411 2.82,412 1.584,413 3.905,414 2.34,415 1.409,416 1.937,418 3.079,419 1.249,420 2.525,421 1.503,422 3.63,423 2.038,424 1.055,425 1.537,427 2.663,428 1.035,429 2.29,430 1.125,431 3.575,432 1.789,433 0.786,434 1.143,436 2.051,437 0.783,438 1.519,439 1.036,440 2.858,441 1.244,442 0.291,443 0.327,445 0.494,446 0.258,447 1.225,448 0.677,449 2.613,450 1.001,451 0.067,452 0.076,454 0.124,455 0.058,456 1.154,457 0.404,458 2.502,459 0.751,460 -0.143,461 -0.174,463 -0.318,464 -0.103,465 0.839,466 0.237,467 2.214,468 0.437,469 -0.483,470 -0.585,472 -1.204,473 -0.393,474 13.129,475 0.486,476 0.754,477 0.028,478 36.5,479 1.352,480 19.5,481 0.722,482 17,483 0.63,484 22.177,485 0.821,486 28.271,487 0.673,488 28.463,489 1.054,490 7.575,491 0.281,492 5.343,493 0.198,494 0.236,496 0.381,501 0.627,502 0.977,503 0.532,504 0.745,505 0.655,506 0.755,507 0.613,508 1.138,509 0.551,510 0.834,511 0.526,512 0.785,513 1.057,514 1.194,515 0.932,516 0.981,517 0.919,518 0.944,519 1.111,520 1.14,521 1.167,522 1.135,523 1.179,524 1.1,525 1.257,526 0.91,527 0.834,528 0.84,529 1.408,530 0.828,531 1.051,532 1.019,533 0.798,534 0.933,535 1.108,536 0.912,537 1.209,538 0.921,539 1.471,540 1.209,541 1.238,542 1.148,543 0.999,544 0.907,545 1.149,546 0.983,547 1.031,548 1.025,549 5.5,550 0.144,551 4,552 2.313,553 1.771,554 1.195,555 0.633,556 0.428,557 0.304,558 0.209,559 7876,560 29397,561 1.992,562 35.7,564 7,567 2,568 6,572 1.705,573 1.82,574 3.314,575 0.304,577 1,582 75.654,583 1.801,584 3.831,585 4.365,586 5.023,587 5.166,588 5.166,589 2.68,590 4.607,591 4.729,592 3.446,593 1209.49,594 8.231,595 15285.2,597 1,599 1,600 226.477,601 1.541,602 4.659,603 0.19,604 0.008,605 0.098,606 0.053,607 0.042,608 0.03,609 0.017,610 0.013,611 0.011,612 0.008,613 0.47,614 0.17,615 1,616 1.011,617 132.457,618 0.074,619 0.129,621 0.1,622 -0.037,623 0.048,624 0.047,625 -0.083,626 0.114,627 0.061,628 0.046,629 0.11,630 -0.154,631 -0.154,632 -0.058,633 -0.059,634 -0.097,635 -0.059,636 -0.034,637 -0.1,638 -0.186,639 -0.203,640 -0.054,641 -0.213,642 -0.099,643 0.089,644 0.059,645 0.104,646 -0.101,647 0.103,648 0.009,649 -0.016,650 0.099,651 0.011,652 0.04,653 0.016,654 -0.058,655 0.004,656 -0.209,657 -0.173,658 -0.077,659 -0.158,660 -0.051,661 0.004,662 -0.083,663 0.045,664 0.008,665 0.018,666 2.11,667 5.912,668 0.63,669 21.539,670 1.027,671 1.117,672 3.383,673 11.442,674 0.724,675 3.401,676 3.738,677 4.025,678 4.263,679 4.431,680 4.477,681 4.511,682 4.522,683 4.585,684 4.585,685 6.027,686 0.704,687 404.27,688 3.401,689 4.949,690 5.808,691 6.693,692 7.572,693 8.463,694 9.348,695 10.241,696 11.129,697 12.024,698 7.1,705 1,707 1,708 1,715 7,716 1,718 1,720 8,722 17,726 1,729 1,740 2,741 42,743 19,744 2,745 29,747 44,748 19,749 15,750 5,751 7,752 2,756 3,757 3,758 2,763 2,772 17,773 2,777 2,782 1,785 1,786 2,790 1,793 15,794 6,795 2,796 8,797 2,801 1,802 3,808 1,809 3,828 1,829 2,857 1,859 3,864 2,865 2,868 27,875 1,877 1,892 2,893 7.1,896 1,898 2,901 14.833,902 8.302,903 6.028,904 2.335,907 3.368,908 1.47,909 0.954,910 5.849,911 10.533,912 3.701,913 4.334,914 4.923,915 5.487,916 5.94,917 6.172,918 6.454,919 6.709,920 7.003,921 7.226,922 0.857,923 44,924 9.901,926 4.21,927 0.026,929 8.014,931 18.204,933 14.471,936 2.514,937 67.889,940 1,941 153.024,942 118.966,943 50.855,944 78.297,945 77.685,948 118.966,949 309.006,950 50.855,951 17.65,952 18.011,953 66.334,954 52.203,955 87.859,956 5.449,957 153.024,958 78.297,959 153.024,960 169.821,961 77.685,962 78.297,964 153.024,965 77.685,968 51.665,969 98.559,970 97.894,972 153.024,973 128.54,974 197.263,977 153.024,978 34.982,979 83.984,980 18.011,981 188.826,982 153.024,983 128.54,984 197.263,986 0.586,987 0.358,988 0.187,989 0.098,990 19,991 10,992 0.091,993 4,995 1,996 3.7,997 230.984,999 17,1000 128.382,1005 19.425,1006 8.13,1007 4.004,1009 128.54,1010 11.959,1011 3.986,1013 5.219,1015 3.319,1017 60.816,1018 478.827,1019 39.5,1024 12.912,1027 3.157,1028 -0.054,1031 43.12,1032 46.918,1034 0.334,1035 0.71,1036 0.809,1037 0.932,1038 0.958,1039 0.958,1040 4.936,1041 1.414,1042 5.814,1043 3.756,1044 4.419,1045 5.021,1046 2.325,1047 6.658,1048 4.338,1049 6.175,1050 1.409,1051 7.404,1052 3.466,1053 4.111,1054 4.89,1056 7.656,1057 3.96,1058 7.501,1059 1.055,1060 9.096,1061 3.079,1062 6.047,1063 7.247,1064 3.329,1065 10.769,1066 5.912,1067 8.865,1068 0.786,1069 10.846,1070 2.663,1071 6.553,1072 7.928,1074 12.595,1075 6.362,1076 10.258,1077 0.291,1078 12.633,1079 2.051,1080 7.982,1081 9.758,1082 4.488,1083 15.24,1084 7.8,1085 11.673,1086 0.067,1087 14.446,1088 0.494,1089 8.842,1090 10.816,1092 17.406,1093 8.621,1094 13.105,1095 -0.143,1096 16.277,1097 0.124,1098 10.084,1099 12.426,1100 5.709,1101 19.898,1102 9.863,1103 3.243,1104 -0.483,1105 18.123,1106 -0.318,1107 11.101,1108 13.668,1110 22.213,1111 10.854,1112 2.945,1113 11.551,1114 19.979,1115 -1.204,1116 12.275,1117 15.181,1118 6.95,1119 24.658,1120 12.023,1121 2.698,1122 9.236,1123 21.845,1124 4.307,1125 13.363,1126 16.516,1128 27.039,1129 13.093,1130 2.519,1131 8.722,1132 23.718,1133 3.97,1134 14.515,1135 17.984,1136 8.197,1137 29.474,1138 14.237,1139 1.979,1140 7.864,1141 25.598,1142 3.651,1143 15.636,1144 19.368,1146 31.887,1147 15.345,1148 1.767,1149 5.428,1150 27.483,1151 3.267,1152 16.785,1153 20.818,1154 9.447,1155 34.323,1156 16.485,1157 1.414,1158 4.996,1159 29.374,1160 2.606,1161 17.923,1162 22.228,1164 36.751,1165 17.612,1166 7830,1167 15260,1168 18.611,1169 30.426,1170 43.986,1171 47.299,1172 46.523,1173 43.457,1174 43.174,1175 58.419,1176 5.854,1177 126.86,1178 41.137,1179 5.449,1180 5.745,1181 6.596,1182 5.259,1183 5.243,1184 7.307,1185 3.737,1186 18.934,1187 5.195,1188 16.105,1189 1.517,1190 1.631,1191 1.604,1192 1.499,1193 1.489,1194 2.014,1195 0.202,1196 4.374,1197 1.419,1198 4.034,1199 4.049,1200 4.084,1201 3.941,1202 7.429,1203 3.948,1204 3.925,1205 3.946,1206 4.009,1207 3.866,1208 6.543,1209 3.863,1210 3.75,1211 3.769,1212 3.789,1213 3.617,1214 5.204,1215 3.635,1216 3.467,1217 3.522,1218 3.53,1219 3.285,1220 4.932,1221 3.293,1222 3.226,1223 3.272,1224 3.291,1225 2.961,1226 4.895,1227 2.988,1228 3.037,1229 3.121,1230 3.224,1231 2.88,1232 4.418,1233 2.871,1234 2.879,1235 2.922,1236 3.042,1237 2.794,1238 4.338,1239 2.767,1240 2.806,1241 2.886,1242 2.851,1243 2.673,1244 4.052,1245 2.649,1246 0.159,1247 0.129,1248 0.238,1249 0.146,1250 0.112,1251 4.597,1252 0.149,1253 3.745,1254 0.064,1255 6.911,1256 0.398,1257 4.228,1258 0.11,1259 3.243,1260 4.307,1261 1.869,1262 11.551,1263 3.195,1264 1.924,1265 1.905,1266 1.997,1267 2.011,1268 1.128,1269 2.011,1270 1.897,1271 1.878,1272 1.978,1273 1.962,1274 1.102,1275 1.975,1276 1.589,1277 1.569,1278 1.751,1279 1.764,1280 0.852,1281 1.751,1282 1.402,1283 1.345,1284 1.65,1285 1.63,1286 0.714,1287 1.633,1288 1.228,1289 1.182,1290 1.418,1291 1.507,1292 0.471,1293 1.473,1294 1.022,1295 0.97,1296 1.2,1297 1.284,1298 0.247,1299 1.252,1300 0.868,1301 0.824,1302 1.103,1303 1.115,1304 0.171,1305 1.081,1306 0.803,1307 0.744,1308 1.041,1309 1.021,1310 0.119,1311 1.061,1312 4.078,1314 5.407,1315 2.398,1316 6.932,1317 4.727,1318 8.545,1319 6.823,1320 10.204,1322 3.275,1323 12.424,1327 8.94,1329 2.752,1340 29.551,1341 75.654,1342 160.91,1343 183.316,1344 210.968,1345 216.968,1346 216.968,1347 60.248,1348 7.165,1349 87.72,1350 87.72,1351 17,1352 12.551,1353 4.322,1354 3.524,1355 46.775,1356 97,1357 101,1358 0.237,1359 190.608,1360 330.87,1361 456.844,1362 11941,1363 4.8,1364 19.552,1365 0.724,1366 0.591,1367 20.552,1368 15.967,1369 12.918,1370 0.445,1371 0.3,1372 7.894,1373 11.846,1374 7.581,1375 6.308,1376 13.495,1377 8.687,1378 11.63,1379 0.284,1380 0.161,1381 12.372,1382 6.591,1383 10.018,1384 0.182,1385 0.085,1386 10.756,1387 4.66,1388 7.991,1389 0.114,1390 0.042,1391 8.519,1392 2.955,1393 6.1,1394 0.073,1395 0.023,1396 6.645,1397 1.907,1398 0.365,1399 87.471,1400 0.232,1401 25.558,1402 0.67,1403 140,1404 483.651,1405 183.398,1406 527.625,1407 691.87,1408 486,1409 166,1410 469.862,1411 202.661,1412 490.319,1413 707.63,1414 459,1415 5.174}
{0 CHEMBL1086927,1 1.305,2 12.789,3 2.581,4 6.661,5 143.698,6 6.319,8 4.484,9 4.602,10 3.883,11 4.002,12 5.471,13 3.945,14 5.139,15 5.325,16 4.384,17 4.527,18 6.03,19 4.452,20 5.552,21 5.729,22 4.671,23 4.882,24 6.536,25 4.789,26 5.896,27 6.118,28 4.749,29 5.059,30 6.855,31 4.929,32 6.019,33 6.27,34 4.717,35 5.046,36 7.072,37 4.893,38 5.981,39 6.262,40 4.506,41 4.901,42 6.987,43 4.732,44 5.746,45 6.014,46 4.329,47 4.736,48 6.749,49 4.566,50 5.639,51 5.921,52 4.239,53 4.634,54 6.551,55 4.463,56 0.059,57 1.103,58 20.396,59 9.424,60 19.691,61 12.41,62 0.324,63 1.958,64 39.457,65 16.848,66 58.653,67 22.827,68 0.387,69 2.887,70 60.14,71 24.735,72 105.506,73 33.59,74 0.799,75 3.698,76 85.148,77 31.776,78 179.079,79 44.38,80 1.408,81 3.874,82 96.965,83 33.367,84 294.386,85 47.733,86 1.598,87 3.475,88 93.798,89 29.887,90 307.204,91 43.38,92 1.15,93 2.871,94 73.64,95 24.794,96 241.13,97 35.728,98 0.869,99 2.593,100 65.57,101 22.51,102 177.159,103 32.643,104 204,105 68,106 0.2,107 0.439,108 0.7,109 0.837,110 0.87,111 0.87,112 3.669,113 1.042,114 -3.99,115 -3.94,116 -3.73,121 36.9,122 7,123 7,124 4,125 4,126 1,129 2,138 2,158 3,160 1,176 22,179 1,180 8,185 4,187 36,192 13,197 7,200 42,206 11,211 8,214 34,218 2,219 12,222 1,223 1,224 12,227 29,232 10,235 2,237 5,239 28,243 1,244 8,247 1,249 5,251 24,255 1,256 8,261 3,264 20,269 12,272 2,274 2,277 11,281 2568,282 23.64,283 23.64,284 23.64,285 23.64,286 23.64,287 22.939,288 31.341,289 12.565,290 23.765,291 19.939,292 19.939,293 19.939,294 19.939,295 19.939,296 18.466,297 39.735,298 5.685,299 19.989,300 5.087,301 3.525,302 1.825,303 0.929,304 0.715,305 0.715,306 4.34,312 1,313 1020,314 5.568,317 64.08,318 219.772,321 106.974,322 243.797,325 2.064,326 72.736,329 0.75,330 0.83,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.88,337 83,338 486,339 5.123,340 4.278,341 8.836,342 5.052,343 4.055,344 4.336,345 2.443,346 18.227,347 4.045,348 4.789,349 4.085,350 8.143,351 4.757,352 3.755,353 3.84,354 2.178,355 15.715,356 3.764,357 4.337,358 3.81,359 7.406,360 4.201,361 3.193,362 3.507,363 2.178,364 12.613,365 3.219,366 3.96,367 3.715,368 7.017,369 3.852,370 2.853,371 3.122,372 1.277,373 11.073,374 2.851,375 3.868,376 3.598,377 6.194,378 3.738,379 2.739,380 2.928,381 1.023,382 8.214,383 2.727,384 3.614,385 3.351,386 5.914,387 3.433,388 2.425,389 2.749,390 0.286,391 8.082,392 2.442,393 3.586,394 3.033,395 5.843,396 3.366,397 2.362,398 2.702,400 7.541,401 2.372,402 3.287,403 2.661,404 5.655,405 3.153,406 2.15,407 2.306,409 6.667,410 2.135,411 3.138,412 2.559,413 5.19,414 2.998,415 1.984,416 2.153,418 5.771,419 2.001,420 3.014,421 2.283,422 5.061,423 2.823,424 1.798,425 2.015,427 5.216,428 1.83,429 2.646,430 1.912,431 4.686,432 2.492,433 1.511,434 1.607,436 4.241,437 1.472,438 2.429,439 1.858,440 4.357,441 2.21,442 1.236,443 1.359,445 3.373,446 1.19,447 2.275,448 1.461,449 4.018,450 2.068,451 1.059,452 1.183,454 2.65,455 1.059,456 1.78,457 1.413,458 3.856,459 1.582,460 0.579,461 0.626,463 1.655,464 0.573,465 1.535,466 1.202,467 3.744,468 1.428,469 0.421,470 0.456,472 1.086,473 0.421,474 17.833,475 0.469,476 1.797,477 0.047,478 30,479 0.789,480 7.5,481 0.197,482 22.5,483 0.592,484 68.345,485 1.799,486 45.767,487 0.545,488 25.725,489 0.677,490 4.143,491 0.109,492 13.319,493 0.35,494 0.336,495 0.112,496 0.336,501 0.688,502 1.269,503 0.952,504 1.259,505 0.661,506 1.166,507 0.606,508 0.981,509 0.773,510 0.974,511 0.55,512 0.912,513 0.853,514 1.263,515 1.062,516 1.26,517 0.897,518 1.206,519 0.969,520 1.197,521 1.104,522 1.198,523 0.996,524 1.178,525 0.916,526 1.127,527 1.039,528 1.128,529 0.992,530 1.108,531 1.156,532 0.845,533 0.998,534 0.848,535 1.164,536 0.889,537 1.01,538 0.973,539 1.039,540 0.98,541 1.077,542 1.01,543 0.863,544 0.924,545 0.915,546 0.927,547 0.816,548 0.93,549 13.5,550 0.342,551 9.556,552 7.049,553 5.316,554 2.844,555 1.709,556 1.098,557 0.784,558 0.501,559 17962,560 43871,561 1.894,562 54.8,563 26,564 5,567 2,568 9,569 4,572 1.791,573 1.652,574 3.534,575 0.097,582 109.639,583 1.305,584 2.867,585 4.568,586 5.463,587 5.678,588 5.678,589 3.114,590 5.09,591 5.21,592 3.735,593 2625.52,594 9.207,595 39809.6,600 536.955,601 1.871,602 5.076,603 0.329,604 0.01,605 0.141,606 0.082,607 0.061,608 0.036,609 0.027,610 0.021,611 0.016,612 0.012,613 0.735,614 0.33,615 0.88,616 1.636,617 205.265,618 -0.036,619 0.064,620 0.025,621 0.065,622 -0.055,623 0.057,624 0.062,625 0.214,626 0.188,627 0.22,628 0.041,629 0.225,630 -0.064,631 -0.074,632 -0.082,633 -0.076,634 -0.057,635 -0.081,636 -0.082,637 -0.121,638 -0.123,639 -0.124,640 -0.076,641 -0.13,642 0.047,643 -0.132,644 -0.055,645 -0.132,646 0.03,647 -0.114,648 -0.058,649 0.069,650 -0.001,651 0.067,652 -0.043,653 0.046,654 -0.026,655 -0.014,656 -0.056,657 -0.019,658 -0.013,659 -0.04,660 -0.001,661 0.028,662 0.044,663 0.032,664 0.014,665 0.044,666 2.243,667 7.113,668 0.447,669 43.784,670 0.995,671 1.131,672 2.758,673 7.604,674 0.615,675 3.738,676 4.234,677 4.615,678 4.956,679 5.257,680 5.464,681 5.684,682 5.922,683 6.052,684 6.151,685 7.143,686 0.573,687 530.77,688 3.738,689 5.389,690 6.319,691 7.298,692 8.259,693 9.246,694 10.222,695 11.215,696 12.2,697 13.197,741 84,743 5,745 41,747 87,748 31,752 3,756 4,757 10,763 7,764 4,766 4,767 7,768 2,770 9,772 6,773 25,774 4,777 5,782 4,786 6,793 46,794 7,795 2,796 7,808 0.25,809 7,811 2,828 1,829 3,832 1,833 2,841 3,846 1,850 2,857 2,859 1,864 8,868 38,875 2,876 7,878 1,880 6,882 4,893 8.3,894 2,896 4,898 1,901 23,902 17.233,903 7.951,904 5.411,907 0.539,908 1.062,909 0.844,910 7.298,911 9.241,912 3.85,913 4.394,914 4.852,915 5.247,916 5.645,917 5.908,918 6.161,919 6.439,920 6.576,921 6.658,922 0.889,923 86,924 14.58,926 6.86,927 0.026,929 7.947,931 27.657,933 25.225,936 2.447,937 93,941 517.928,942 119.364,945 196.946,948 119.364,949 714.875,951 72.659,952 17.742,953 85.367,954 123.171,955 17.371,957 517.928,959 517.928,960 119.364,961 196.946,964 470.844,965 158.664,966 85.367,968 79.518,969 39.846,972 517.928,973 196.946,974 119.364,977 517.928,978 46.705,979 72.659,981 196.946,982 517.928,983 196.946,984 119.364,986 0.627,987 0.397,988 0.204,989 0.109,990 36,991 20,992 0.08,993 7,994 3,995 1.353,996 4.112,997 419.504,998 0.353,999 17,1000 197.421,1005 29.311,1006 9.461,1007 4.061,1009 196.946,1017 85.367,1018 834.239,1019 46,1024 51.665,1028 1.061,1031 83.614,1032 95.015,1034 0.204,1035 0.448,1036 0.715,1037 0.855,1038 0.888,1039 0.888,1040 5.263,1041 2.15,1042 6.463,1043 7.541,1044 4.92,1045 5.081,1046 3.444,1047 7.545,1048 4.92,1049 6.535,1050 1.984,1051 8.223,1052 6.667,1053 5.13,1054 5.323,1055 3.124,1056 9.273,1057 5.136,1058 7.942,1059 1.798,1060 10.106,1061 5.771,1062 6.876,1063 7.171,1064 4.697,1065 12.492,1066 6.879,1067 9.382,1068 1.511,1069 12.065,1070 5.216,1071 7.828,1072 8.138,1073 5.038,1074 14.999,1075 7.833,1076 10.86,1077 1.236,1078 14.074,1079 4.241,1080 9.245,1081 9.642,1082 6.192,1083 17.929,1084 9.248,1085 12.364,1086 1.059,1087 16.117,1088 3.373,1089 10.463,1090 10.882,1091 6.807,1092 20.683,1093 10.466,1094 13.89,1095 0.579,1096 18.185,1097 2.65,1098 11.818,1099 12.311,1100 7.796,1101 23.558,1102 11.819,1103 4.055,1104 0.421,1105 20.273,1106 1.655,1107 13.13,1108 13.66,1109 8.535,1110 26.392,1111 13.129,1112 3.755,1113 18.227,1114 22.376,1115 1.086,1116 14.483,1117 15.08,1118 9.454,1119 29.263,1120 14.481,1121 3.193,1122 15.715,1123 24.49,1124 4.336,1125 15.831,1126 16.478,1127 10.253,1128 32.127,1129 15.826,1130 2.853,1131 12.613,1132 26.613,1133 3.84,1134 17.193,1135 17.905,1136 11.142,1137 35.004,1138 17.186,1139 2.739,1140 11.073,1141 28.745,1142 3.507,1143 18.557,1144 19.327,1145 11.973,1146 37.882,1147 18.547,1148 2.425,1149 8.214,1150 30.882,1151 3.122,1152 19.927,1153 20.762,1154 12.849,1155 40.765,1156 19.915,1157 2.362,1158 8.082,1159 33.024,1160 2.928,1161 21.3,1162 22.198,1163 13.698,1164 43.65,1165 21.285,1166 17962,1167 28048,1168 24.274,1169 51.694,1170 66.373,1171 70.067,1172 72.81,1173 64.909,1174 64.968,1175 70.612,1176 18.773,1177 225.737,1178 64.9,1179 6.123,1180 6.205,1181 8.38,1182 6.052,1183 6.055,1184 7.027,1185 4.174,1186 28.126,1187 6.045,1188 30.293,1189 1.619,1190 1.709,1191 1.776,1192 1.583,1193 1.585,1194 1.722,1195 0.458,1196 5.506,1197 1.583,1198 4.153,1199 4.177,1200 4.089,1201 4.085,1202 7.436,1203 4.082,1204 3.935,1205 3.97,1206 3.846,1207 3.85,1208 7.427,1209 3.843,1210 3.806,1211 3.835,1212 3.716,1213 3.667,1214 7.424,1215 3.67,1216 3.639,1217 3.675,1218 3.544,1219 3.508,1220 7.423,1221 3.508,1222 3.51,1223 3.553,1224 3.402,1225 3.353,1226 6.454,1227 3.35,1228 3.44,1229 3.494,1230 3.312,1231 3.282,1232 6.444,1233 3.275,1234 3.366,1235 3.423,1236 3.195,1237 3.194,1238 4.511,1239 3.189,1240 3.302,1241 3.354,1242 3.145,1243 3.054,1244 4.472,1245 3.067,1246 0.125,1247 0.104,1248 0.216,1249 0.123,1250 0.099,1251 5.123,1252 0.106,1253 4.278,1254 0.06,1255 8.836,1256 0.445,1257 5.052,1258 0.099,1259 4.055,1260 4.336,1261 2.443,1262 18.227,1263 4.045,1264 2.065,1265 2.044,1266 2.183,1267 2.155,1268 1.607,1269 2.164,1270 1.874,1271 1.839,1272 2.051,1273 1.999,1274 1.46,1275 2.016,1276 1.782,1277 1.748,1278 1.961,1279 1.931,1280 1.302,1281 1.939,1282 1.677,1283 1.636,1284 1.893,1285 1.851,1286 1.191,1287 1.864,1288 1.49,1289 1.438,1290 1.765,1291 1.67,1292 1.023,1293 1.701,1294 1.445,1295 1.395,1296 1.712,1297 1.656,1298 0.97,1299 1.67,1300 1.41,1301 1.352,1302 1.679,1303 1.621,1304 0.959,1305 1.642,1306 1.232,1307 1.182,1308 1.583,1309 1.537,1310 0.71,1311 1.553,1312 4.419,1314 5.872,1315 2.398,1316 7.534,1317 5.043,1318 9.306,1319 7.402,1320 11.144,1322 14.989,1327 23.316,1328 2.406,1330 4.759,1332 -2.566,1334 -2.63,1340 48.12,1341 109.639,1342 240.824,1343 383.696,1344 458.916,1345 476.916,1346 476.916,1347 181.271,1348 8.702,1349 117.97,1350 117.97,1351 23,1352 13.66,1353 2.585,1354 2.585,1355 67.506,1356 160,1357 211,1358 0.214,1359 291.896,1360 543.75,1361 703.987,1362 70604,1364 28.585,1365 0.752,1366 0.641,1367 28.585,1368 24.35,1369 17.461,1370 0.426,1371 0.347,1372 14.104,1373 16.904,1374 13.382,1375 11.059,1376 17.461,1377 14.236,1378 18.126,1379 0.267,1380 0.207,1381 18.126,1382 14.081,1383 16.031,1384 0.16,1385 0.118,1386 16.031,1387 11.751,1388 13.239,1389 0.094,1390 0.067,1391 13.239,1392 9.401,1393 10.677,1394 0.056,1395 0.035,1396 10.677,1397 6.746,1398 0.327,1399 109.346,1400 0.203,1401 33.449,1402 0.615,1403 218,1404 554.977,1405 233.722,1406 521.02,1407 682.38,1408 480,1409 277,1410 470.636,1411 291.95,1412 479.933,1413 711.55,1414 447,1415 4.519}
{0 CHEMBL1087131,1 1.285,2 12.028,3 3.432,4 11.777,5 137.413,6 6.259,8 4.431,9 4.553,10 3.823,11 3.971,12 5.407,13 3.907,14 5.088,15 5.276,16 4.334,17 4.504,18 5.992,19 4.419,20 5.522,21 5.706,22 4.608,23 4.857,24 6.482,25 4.753,26 5.856,27 6.087,28 4.655,29 5.026,30 6.787,31 4.879,32 5.966,33 6.234,34 4.549,35 4.994,36 6.92,37 4.812,38 5.876,39 6.173,40 4.392,41 4.829,42 6.782,43 4.643,44 5.647,45 5.91,46 4.262,47 4.674,48 6.652,49 4.503,50 5.584,51 5.87,52 4.177,53 4.586,54 6.498,55 4.408,56 0.067,57 1.055,58 19.395,59 9.067,60 16.947,61 12.007,62 0.258,63 1.898,64 37.257,65 16.451,66 63.269,67 22.404,68 0.383,69 2.815,70 58.267,71 24.24,72 100.212,73 33.063,74 0.724,75 3.6,76 81.217,77 31.135,78 161.001,79 43.607,80 1.14,81 3.727,82 90.55,83 32.377,84 245.379,85 46.455,86 1.097,87 3.248,88 82.544,89 28.243,90 223.666,91 41.059,92 0.967,93 2.683,94 66.212,95 23.211,96 209.765,97 33.167,98 0.755,99 2.492,100 61.499,101 21.679,102 165.309,103 31.336,104 176,105 65,106 0.199,107 0.429,108 0.677,109 0.833,110 0.868,111 0.868,112 3.617,113 1.057,114 -4.56,115 -4.48,116 -4.22,121 37.5,122 7,123 8,124 4,125 4,129 1,138 2,158 3,160 1,170 1,174 1,176 24,177 1,180 7,183 1,185 3,187 39,188 2,192 11,197 6,200 46,206 12,207 1,211 5,214 42,215 1,218 1,219 12,222 1,224 5,227 31,228 1,232 9,235 1,237 4,239 30,240 2,243 1,244 6,247 1,249 5,251 24,252 2,255 1,256 7,261 5,264 21,265 3,269 9,272 1,274 4,275 1,277 12,278 2,281 2200,282 22.27,283 22.27,284 22.27,285 22.27,286 22.27,287 21.492,288 29.93,289 11.82,290 22.211,291 19.024,292 19.024,293 19.024,294 19.024,295 19.024,296 17.549,297 38.927,298 5.402,299 18.904,300 5.037,301 3.55,302 1.947,303 0.941,304 0.716,305 0.716,306 4.289,312 1,313 910,314 5.431,317 60.074,318 204.415,321 100.038,322 226.208,325 2.086,326 64.108,329 0.75,330 0.83,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.88,337 78,338 433,339 5.107,340 4.255,341 8.823,342 5.041,343 4.043,344 4.312,345 2.341,346 18.128,347 4.036,348 4.787,349 4.084,350 8.137,351 4.754,352 3.751,353 3.839,354 2.178,355 15.686,356 3.762,357 4.329,358 3.762,359 7.393,360 4.195,361 3.185,362 3.5,363 2.178,364 12.548,365 3.214,366 3.93,367 3.713,368 6.97,369 3.823,370 2.819,371 3.084,372 1.277,373 10.845,374 2.83,375 3.818,376 3.58,377 6.109,378 3.696,379 2.689,380 2.883,381 0.68,382 7.987,383 2.696,384 3.596,385 3.32,386 5.853,387 3.411,388 2.396,389 2.712,391 7.807,392 2.43,393 3.557,394 2.925,395 5.766,396 3.303,397 2.278,398 2.689,400 7.294,401 2.326,402 3.158,403 2.627,404 5.372,405 2.99,406 1.968,407 2.176,409 5.699,410 2.001,411 3.086,412 2.304,413 5.169,414 2.932,415 1.914,416 2.099,418 5.502,419 1.945,420 2.964,421 2.237,422 5.003,423 2.762,424 1.758,425 1.96,427 5.139,428 1.748,429 2.38,430 1.887,431 4.387,432 2.311,433 1.308,434 1.345,436 3.533,437 1.308,438 2.34,439 1.538,440 4.284,441 2.137,442 1.124,443 1.258,445 3.199,446 1.132,447 2.257,448 1.412,449 3.836,450 1.991,451 0.969,452 1.129,454 2.224,455 0.974,456 1.703,457 1.161,458 3.674,459 1.489,460 0.44,461 0.503,463 1.148,464 0.458,465 1.501,466 0.934,467 3.461,468 1.386,469 0.406,470 0.422,472 1.078,473 0.394,474 17,475 0.472,476 1.746,477 0.048,478 28.5,479 0.792,480 7.5,481 0.208,482 21,483 0.583,484 64.076,485 1.78,486 43,487 0.537,488 22.267,489 0.619,490 3.669,491 0.102,492 12.844,493 0.357,494 0.324,495 0.118,496 0.324,501 0.654,502 1.218,503 0.965,504 1.215,505 0.645,506 1.149,507 0.445,508 1.015,509 0.758,510 1.011,511 0.455,512 0.944,513 0.839,514 1.242,515 1.08,516 1.242,517 0.846,518 1.205,519 0.917,520 1.196,521 1.12,522 1.201,523 0.905,524 1.194,525 0.879,526 1.079,527 1.045,528 1.086,529 0.89,530 1.091,531 0.921,532 0.846,533 0.885,534 0.847,535 0.922,536 0.859,537 0.993,538 1.02,539 1.057,540 1.027,541 0.993,542 1.049,543 0.834,544 0.934,545 0.898,546 0.934,547 0.805,548 0.927,549 13,550 0.272,551 9.333,552 6.736,553 4.57,554 2.507,555 1.587,556 1.067,557 0.734,558 0.481,559 15680,560 37741,561 1.904,562 55,563 30,564 1,567 2,568 9,569 2,572 1.778,573 1.662,574 3.474,575 0.093,582 102.823,583 1.285,584 2.772,585 4.375,586 5.381,587 5.606,588 5.606,589 3.053,590 4.948,591 5.132,592 3.682,593 2319.63,594 9.05,595 33901.1,600 505.754,601 1.888,602 4.999,603 0.333,604 0.009,605 0.144,606 0.083,607 0.058,608 0.038,609 0.027,610 0.021,611 0.016,612 0.013,613 0.742,614 0.17,615 0.88,616 1.536,617 191.253,618 -0.04,619 0.099,620 0.02,621 0.096,622 -0.048,623 0.071,624 0.106,625 0.18,626 0.194,627 0.186,628 0.092,629 0.202,630 -0.064,631 -0.071,632 -0.096,633 -0.075,634 -0.052,635 -0.089,636 -0.075,637 -0.13,638 -0.144,639 -0.136,640 -0.062,641 -0.149,642 0.004,643 -0.099,644 -0.078,645 -0.102,647 -0.103,648 -0.006,649 0.074,650 0.078,651 0.079,652 -0.008,653 0.09,654 -0.004,655 -0.044,656 -0.072,657 -0.051,658 0.007,659 -0.069,660 0.023,661 0.015,662 0.06,663 0.021,664 0.023,665 0.044,666 2.638,667 7.032,668 0.472,669 39.92,670 0.993,671 1.13,672 3.327,673 11.066,674 0.618,675 3.689,676 4.19,677 4.564,678 4.89,679 5.165,680 5.398,681 5.613,682 5.855,683 5.979,684 6.089,685 6.899,686 0.573,687 500.74,688 3.689,689 5.342,690 6.271,691 7.248,692 8.205,693 9.19,694 10.161,695 11.153,696 12.132,697 13.128,741 80,743 5,745 39,747 83,748 30,752 3,756 4,757 10,763 7,764 4,766 4,767 7,768 2,770 9,772 6,773 24,774 4,777 5,782 4,786 6,793 44,794 6,795 2,796 6,808 0.25,809 6,811 1,828 1,829 3,832 1,833 2,841 3,845 1,850 2,857 2,859 1,864 7,868 36,875 2,876 8,880 5,882 4,893 7.5,894 1,895 1,896 4,901 21.667,902 16.233,903 7.424,904 5.311,907 0.548,908 1.064,909 0.854,910 6.624,911 9.143,912 3.807,913 4.357,914 4.796,915 5.187,916 5.557,917 5.846,918 6.096,919 6.373,920 6.512,921 6.605,922 1,923 81,924 13.762,926 6.448,927 0.026,929 7.935,931 26.365,933 24.317,936 2.435,937 87.667,941 494.386,942 104.734,945 185.946,948 104.734,949 680.333,951 61.776,952 20.276,953 42.683,954 159.573,955 6.371,957 494.386,959 494.386,960 104.734,961 185.946,964 470.844,965 166.805,966 42.683,968 82.053,969 22.681,972 494.386,973 185.946,974 104.734,977 494.386,978 42.958,979 61.776,981 185.946,982 494.386,983 185.946,984 104.734,986 0.631,987 0.394,988 0.197,989 0.103,990 35,991 19,992 0.072,993 6,994 3,995 1.353,996 4.01,997 388.358,998 0.353,999 17,1000 184.117,1005 27.4,1006 8.704,1007 3.769,1009 185.946,1017 85.367,1018 785.067,1019 44,1024 50.754,1028 1.37,1031 79.403,1032 90.391,1034 0.203,1035 0.438,1036 0.692,1037 0.851,1038 0.887,1039 0.887,1040 5.22,1041 1.968,1042 6.418,1043 7.294,1044 4.875,1045 5.043,1046 3.355,1047 7.501,1048 4.887,1049 6.497,1050 1.914,1051 8.18,1052 5.699,1053 5.094,1054 5.293,1055 3.124,1056 9.244,1057 5.107,1058 7.906,1059 1.758,1060 10.067,1061 5.502,1062 6.836,1063 7.135,1064 4.595,1065 12.456,1066 6.852,1067 9.348,1068 1.308,1069 12.03,1070 5.139,1071 7.796,1072 8.105,1073 4.968,1074 14.969,1075 7.809,1076 10.827,1077 1.124,1078 14.042,1079 3.533,1080 9.213,1081 9.607,1082 6.057,1083 17.896,1084 9.227,1085 12.332,1086 0.969,1087 16.088,1088 3.199,1089 10.435,1090 10.846,1091 6.675,1092 20.647,1093 10.445,1094 13.859,1095 0.44,1096 18.159,1097 2.224,1098 11.79,1099 12.272,1100 7.612,1101 23.519,1102 11.799,1103 4.043,1104 0.406,1105 20.249,1106 1.148,1107 13.102,1108 13.618,1109 8.339,1110 26.348,1111 13.109,1112 3.751,1113 18.128,1114 22.353,1115 1.078,1116 14.455,1117 15.035,1118 9.209,1119 29.214,1120 14.46,1121 3.185,1122 15.686,1123 24.468,1124 4.312,1125 15.802,1126 16.428,1127 9.986,1128 32.073,1129 15.804,1130 2.819,1131 12.548,1132 26.592,1133 3.839,1134 17.162,1135 17.85,1136 10.829,1137 34.945,1138 17.163,1139 2.689,1140 10.845,1141 28.723,1142 3.5,1143 18.524,1144 19.267,1145 11.629,1146 37.816,1147 18.523,1148 2.396,1149 7.987,1150 30.86,1151 3.084,1152 19.892,1153 20.697,1154 12.461,1155 40.694,1156 19.889,1157 2.278,1158 7.807,1159 33.001,1160 2.883,1161 21.263,1162 22.128,1163 13.274,1164 43.574,1165 21.257,1166 15645,1167 24277,1168 23.175,1169 49.478,1170 63.238,1171 66.453,1172 68.549,1173 62.152,1174 62.111,1175 67.838,1176 17.31,1177 215.672,1178 62.525,1179 6.107,1180 6.182,1181 8.003,1182 6.041,1183 6.043,1184 6.993,1185 3.925,1186 27.994,1187 6.036,1188 28.285,1189 1.621,1190 1.704,1191 1.758,1192 1.594,1193 1.593,1194 1.739,1195 0.444,1196 5.53,1197 1.603,1198 4.15,1199 4.177,1200 4.084,1201 4.085,1202 7.474,1203 4.081,1204 3.935,1205 3.97,1206 3.845,1207 3.85,1208 7.43,1209 3.843,1210 3.799,1211 3.83,1212 3.707,1213 3.664,1214 7.424,1215 3.666,1216 3.631,1217 3.67,1218 3.532,1219 3.505,1220 7.424,1221 3.503,1222 3.499,1223 3.547,1224 3.384,1225 3.35,1226 6.449,1227 3.344,1228 3.425,1229 3.489,1230 3.281,1231 3.282,1232 6.351,1233 3.267,1234 3.366,1235 3.422,1236 3.191,1237 3.194,1238 4.516,1239 3.189,1240 3.24,1241 3.285,1242 3.11,1243 3.032,1244 4.289,1245 3.037,1246 0.131,1247 0.109,1248 0.226,1249 0.129,1250 0.104,1251 5.107,1252 0.111,1253 4.255,1254 0.06,1255 8.823,1256 0.465,1257 5.041,1258 0.103,1259 4.043,1260 4.312,1261 2.341,1262 18.128,1263 4.036,1264 2.068,1265 2.045,1266 2.192,1267 2.155,1268 1.614,1269 2.168,1270 1.874,1271 1.838,1272 2.051,1273 1.998,1274 1.46,1275 2.016,1276 1.781,1277 1.747,1278 1.963,1279 1.929,1280 1.303,1281 1.938,1282 1.674,1283 1.632,1284 1.893,1285 1.845,1286 1.188,1287 1.86,1288 1.491,1289 1.438,1290 1.765,1291 1.669,1292 1.047,1293 1.701,1294 1.448,1295 1.39,1296 1.728,1297 1.643,1298 0.984,1299 1.67,1300 1.411,1301 1.349,1302 1.692,1303 1.613,1304 0.96,1305 1.644,1306 1.213,1307 1.161,1308 1.541,1309 1.451,1310 0.727,1311 1.472,1312 4.369,1314 5.826,1315 2.398,1316 7.489,1317 5.043,1318 9.261,1319 7.402,1320 11.096,1322 14.058,1327 20.792,1328 3.862,1332 -1.294,1334 -1.874,1340 45.878,1341 102.823,1342 221.751,1343 350.032,1344 430.47,1345 448.47,1346 448.47,1347 156.265,1348 8.595,1349 108.74,1350 108.74,1351 23,1352 13.592,1353 2.585,1354 2.585,1355 62.049,1356 147,1357 175,1358 0.215,1359 278.308,1360 517.66,1361 670.831,1362 62051,1364 27.008,1365 0.75,1366 0.641,1367 27.008,1368 23.071,1369 16.512,1370 0.423,1371 0.352,1372 13.657,1373 16.102,1374 12.975,1375 10.71,1376 16.512,1377 13.746,1378 17.429,1379 0.268,1380 0.212,1381 17.429,1382 13.748,1383 15.224,1384 0.16,1385 0.122,1386 15.224,1387 11.56,1388 12.539,1389 0.095,1390 0.07,1391 12.539,1392 9.262,1393 9.713,1394 0.056,1395 0.038,1396 9.713,1397 6.536,1398 0.329,1399 102.539,1400 0.208,1401 32.01,1402 0.62,1403 208,1404 501.242,1405 220.843,1406 477.731,1407 625.98,1408 438,1409 264,1410 435.848,1411 275.628,1412 445.053,1413 658.31,1414 416,1415 4.639}
{0 CHEMBL1087180,1 1.314,2 12.027,3 2.33,4 5.428,5 138.929,6 6.38,8 4.45,9 4.568,10 3.852,11 3.976,12 5.459,13 3.919,14 5.1,15 5.282,16 4.368,17 4.51,18 6.043,19 4.435,20 5.541,21 5.719,22 4.649,23 4.866,24 6.533,25 4.772,26 5.882,27 6.11,28 4.726,29 5.036,30 6.847,31 4.904,32 5.982,33 6.236,34 4.696,35 5.003,36 7.075,37 4.854,38 5.904,39 6.174,40 4.472,41 4.845,42 6.957,43 4.688,44 5.688,45 5.953,46 4.303,47 4.689,48 6.72,49 4.524,50 5.579,51 5.853,52 4.203,53 4.582,54 6.546,55 4.417,56 0.07,57 1.067,58 19.55,59 9.111,60 23.428,61 11.931,62 0.256,63 1.914,64 37.582,65 16.497,66 74.774,67 22.291,68 0.394,69 2.845,70 59.194,71 24.374,72 120.901,73 33.036,74 0.759,75 3.633,76 83.714,77 31.279,78 188.5,79 43.791,80 1.391,81 3.718,82 93.801,83 32.006,84 327.485,85 45.79,86 1.542,87 3.254,88 87.578,89 27.888,90 321.418,91 40.135,92 1.082,93 2.729,94 69.722,95 23.569,96 246.402,97 33.884,98 0.84,99 2.453,100 62.151,101 21.241,102 193.031,103 30.67,104 203,105 67,106 0.203,107 0.454,108 0.698,109 0.85,110 0.874,111 0.874,112 3.643,113 1.039,114 -3.8,115 -3.76,116 -3.57,121 37,122 7,123 7,124 4,125 4,129 2,138 2,158 3,160 1,170 1,174 1,176 22,177 1,180 7,183 1,185 5,187 36,188 2,192 11,197 9,200 42,206 13,207 1,211 6,214 34,215 1,218 1,219 13,222 3,224 11,227 29,228 1,231 1,232 11,236 1,237 4,239 28,240 2,243 1,244 7,247 1,249 6,251 24,252 2,255 1,256 7,261 4,264 20,265 3,269 7,270 1,272 2,274 7,277 11,278 2,281 2356,282 22.77,283 22.77,284 22.77,285 22.77,286 22.77,287 22.017,288 25.843,289 12.065,290 22.744,291 19.518,292 19.518,293 19.518,294 19.518,295 19.518,296 18.073,297 25.296,298 5.536,299 19.472,300 5.026,301 3.402,302 1.818,303 0.834,304 0.683,305 0.683,306 4.314,312 1,313 933,314 5.477,317 61.441,318 209.808,321 102.37,322 232.719,325 2.031,326 75.056,329 0.75,330 0.83,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.88,337 81,338 445,339 5.137,340 4.436,341 8.836,342 5.058,343 4.055,344 4.366,345 2.341,346 18.227,347 4.066,348 4.779,349 3.946,350 8.143,351 4.753,352 3.755,353 3.834,354 2.25,355 15.715,356 3.747,357 4.294,358 3.761,359 7.406,360 4.188,361 3.193,362 3.405,363 2.178,364 12.613,365 3.177,366 3.941,367 3.582,368 7.017,369 3.854,370 2.851,371 3.087,372 1.277,373 11.073,374 2.86,375 3.861,376 3.549,377 6.194,378 3.711,379 2.702,380 2.948,381 1.035,382 8.206,383 2.716,384 3.617,385 3.247,386 5.873,387 3.428,388 2.412,389 2.74,390 0.148,391 7.833,392 2.455,393 3.58,394 3.154,395 5.776,396 3.373,397 2.361,398 2.686,400 7.431,401 2.373,402 3.336,403 2.984,404 5.654,405 3.149,406 2.141,407 2.4,409 6.658,410 2.143,411 3.191,412 2.484,413 5.19,414 3.001,415 1.968,416 2.214,418 5.644,419 2.024,420 2.913,421 2.099,422 5.033,423 2.786,424 1.798,425 1.906,427 5.215,428 1.768,429 2.641,430 1.923,431 4.678,432 2.51,433 1.503,434 1.621,436 4.219,437 1.5,438 2.374,439 1.88,440 4.341,441 2.139,442 1.128,443 1.274,445 3.303,446 1.134,447 2.277,448 1.459,449 4.011,450 1.993,451 0.971,452 1.134,454 2.241,455 0.977,456 1.715,457 1.179,458 3.842,459 1.558,460 0.578,461 0.599,463 1.645,464 0.559,465 1.607,466 0.818,467 3.6,468 1.429,469 0.419,470 0.462,472 1.08,473 0.418,474 17.333,475 0.468,476 1.835,477 0.05,478 29.25,479 0.791,480 7.5,481 0.203,482 21.75,483 0.588,484 66.083,485 1.786,486 44.467,487 0.549,488 25.134,489 0.679,490 3.916,491 0.106,492 13.007,493 0.352,494 0.337,495 0.115,496 0.346,501 0.708,502 1.21,503 0.954,504 1.205,505 0.698,506 1.135,507 0.489,508 1.027,509 0.75,510 1.021,511 0.493,512 0.944,513 0.844,514 1.25,515 1.066,516 1.25,517 0.857,518 1.205,519 0.894,520 1.179,521 1.06,522 1.18,523 0.882,524 1.154,525 0.899,526 1.088,527 1,528 1.087,529 0.942,530 1.065,531 1.204,532 0.877,533 1.05,534 0.881,535 1.18,536 0.93,537 0.969,538 0.98,539 1.023,540 0.987,541 1.012,542 1.012,543 0.892,544 0.952,545 0.945,546 0.955,547 0.884,548 0.96,549 13.5,550 0.289,551 9.333,552 6.924,553 5.316,554 2.789,555 1.709,556 1.067,557 0.784,558 0.481,559 16431,560 41120,561 1.891,562 54.3,563 26,564 2,567 3,568 9,569 4,572 1.786,573 1.644,574 3.464,575 0.728,582 106.455,583 1.314,584 2.938,585 4.522,586 5.506,587 5.657,588 5.657,589 3.062,590 4.993,591 5.171,592 3.672,593 2445.72,594 9.135,595 36108.9,600 513.528,601 1.859,602 5.034,603 0.338,604 0.009,605 0.139,606 0.082,607 0.063,608 0.036,609 0.028,610 0.021,611 0.016,612 0.012,613 0.744,614 0.33,615 0.88,616 1.516,617 197.536,618 -0.058,619 0.118,620 0.01,621 0.113,622 -0.066,623 0.079,624 0.087,625 0.182,626 0.189,627 0.189,628 0.08,629 0.205,630 -0.07,631 -0.069,632 -0.097,633 -0.073,634 -0.062,635 -0.088,636 -0.062,637 -0.114,638 -0.093,639 -0.115,640 -0.059,641 -0.11,642 0.054,643 -0.102,644 -0.019,645 -0.1,646 0.046,647 -0.077,648 -0.079,649 0.052,650 -0.044,651 0.046,652 -0.066,653 0.012,654 -0.015,655 -0.016,656 -0.045,657 -0.021,658 -0.008,659 -0.036,660 -0.011,661 0.006,662 0.019,663 0.009,664 -0.008,665 0.018,666 2.676,667 7.059,668 0.459,669 40.732,670 0.997,671 1.131,672 2.567,673 6.591,674 0.616,675 3.714,676 4.22,677 4.595,678 4.942,679 5.252,680 5.455,681 5.68,682 5.916,683 6.047,684 6.142,685 6.872,686 0.575,687 516.74,688 3.714,689 5.371,690 6.301,691 7.283,692 8.246,693 9.234,694 10.212,695 11.206,696 12.192,697 13.191,741 81,743 5,745 40,747 84,748 30,752 3,756 4,757 10,763 7,764 4,766 4,767 7,768 2,770 9,772 6,773 24,774 4,777 5,782 4,786 6,793 44,794 7,795 3,796 7,808 0.25,809 7,811 2,828 1,829 3,832 1,833 2,841 3,845 1,850 2,857 3,859 1,864 7,868 37,875 3,876 7,880 6,882 4,893 8.6,894 2,895 1,896 4,901 22.5,902 16.267,903 7.618,904 5.253,907 0.523,908 1.06,909 0.837,910 6.841,911 9.179,912 3.829,913 4.382,914 4.828,915 5.263,916 5.666,917 5.93,918 6.165,919 6.447,920 6.576,921 6.659,922 1,923 84,924 14.229,926 6.801,927 0.026,929 8.027,931 26.823,933 24.75,936 2.527,937 93.5,941 482.615,942 102.2,945 228.63,948 102.2,949 711.245,951 61.776,952 17.742,953 85.367,954 159.573,955 6.371,957 482.615,959 482.615,960 102.2,961 228.63,964 435.531,965 190.347,966 85.367,968 79.518,969 22.681,972 482.615,973 228.63,974 102.2,977 482.615,978 40.423,979 61.776,981 228.63,982 482.615,983 228.63,984 102.2,986 0.632,987 0.394,988 0.202,989 0.112,990 36,991 20,992 0.071,993 6,994 3,995 1.353,996 4.024,997 407.507,998 0.353,999 17,1000 190.75,1005 28.336,1006 8.933,1007 3.865,1009 228.63,1017 128.05,1018 813.445,1019 45,1024 51.86,1028 0.031,1031 80.73,1032 91.6,1034 0.207,1035 0.463,1036 0.713,1037 0.868,1038 0.892,1039 0.892,1040 5.247,1041 2.141,1042 6.45,1043 7.431,1044 4.905,1045 5.069,1046 3.426,1047 7.535,1048 4.911,1049 6.525,1050 1.968,1051 8.213,1052 6.658,1053 5.13,1054 5.323,1055 3.124,1056 9.269,1057 5.136,1058 7.934,1059 1.798,1060 10.098,1061 5.644,1062 6.866,1063 7.16,1064 4.662,1065 12.488,1066 6.874,1067 9.375,1068 1.503,1069 12.059,1070 5.215,1071 7.824,1072 8.132,1073 5.003,1074 14.997,1075 7.831,1076 10.854,1077 1.128,1078 14.068,1079 4.219,1080 9.239,1081 9.637,1082 6.127,1083 17.928,1084 9.247,1085 12.358,1086 0.971,1087 16.113,1088 3.303,1089 10.46,1090 10.882,1091 6.735,1092 20.682,1093 10.467,1094 13.885,1095 0.578,1096 18.182,1097 2.241,1098 11.815,1099 12.317,1100 7.693,1101 23.558,1102 11.823,1103 4.055,1104 0.419,1105 20.271,1106 1.645,1107 13.127,1108 13.674,1109 8.417,1110 26.392,1111 13.137,1112 3.755,1113 18.227,1114 22.374,1115 1.08,1116 14.481,1117 15.102,1118 9.303,1119 29.263,1120 14.493,1121 3.193,1122 15.715,1123 24.489,1124 4.366,1125 15.83,1126 16.51,1127 10.08,1128 32.127,1129 15.843,1130 2.851,1131 12.613,1132 26.612,1133 3.834,1134 17.192,1135 17.946,1136 10.934,1137 35.004,1138 17.208,1139 2.702,1140 11.073,1141 28.744,1142 3.405,1143 18.556,1144 19.378,1145 11.737,1146 37.882,1147 18.575,1148 2.412,1149 8.206,1150 30.881,1151 3.087,1152 19.927,1153 20.824,1154 12.576,1155 40.765,1156 19.948,1157 2.361,1158 7.833,1159 33.024,1160 2.948,1161 21.299,1162 22.269,1163 13.392,1164 43.65,1165 21.323,1166 16446,1167 26018,1168 23.581,1169 49.932,1170 65.163,1171 68.048,1172 70.789,1173 64.075,1174 64.074,1175 69.803,1176 18.459,1177 223.265,1178 64.235,1179 6.137,1180 6.436,1181 8,1182 6.058,1183 6.055,1184 7.058,1185 3.94,1186 28.126,1187 6.066,1188 29.713,1189 1.629,1190 1.701,1191 1.77,1192 1.602,1193 1.602,1194 1.745,1195 0.461,1196 5.582,1197 1.606,1198 4.153,1199 4.176,1200 4.092,1201 4.084,1202 7.474,1203 4.082,1204 3.935,1205 3.971,1206 3.842,1207 3.85,1208 7.43,1209 3.843,1210 3.8,1211 3.831,1212 3.707,1213 3.664,1214 7.424,1215 3.667,1216 3.633,1217 3.673,1218 3.529,1219 3.505,1220 7.423,1221 3.503,1222 3.501,1223 3.547,1224 3.391,1225 3.35,1226 6.452,1227 3.345,1228 3.44,1229 3.495,1230 3.314,1231 3.282,1232 6.446,1233 3.275,1234 3.364,1235 3.413,1236 3.201,1237 3.192,1238 6.351,1239 3.191,1240 3.24,1241 3.287,1242 3.111,1243 3.033,1244 4.477,1245 3.036,1246 0.128,1247 0.111,1248 0.221,1249 0.126,1250 0.101,1251 5.137,1252 0.109,1253 4.436,1254 0.059,1255 8.836,1256 0.456,1257 5.058,1258 0.102,1259 4.055,1260 4.366,1261 2.341,1262 18.227,1263 4.066,1264 2.066,1265 2.044,1266 2.189,1267 2.157,1268 1.623,1269 2.168,1270 1.876,1271 1.839,1272 2.054,1273 2,1274 1.47,1275 2.019,1276 1.78,1277 1.747,1278 1.959,1279 1.929,1280 1.273,1281 1.937,1282 1.67,1283 1.63,1284 1.883,1285 1.839,1286 1.172,1287 1.852,1288 1.49,1289 1.437,1290 1.764,1291 1.669,1292 1.033,1293 1.7,1294 1.443,1295 1.39,1296 1.711,1297 1.644,1298 1.001,1299 1.667,1300 1.401,1301 1.347,1302 1.665,1303 1.61,1304 0.897,1305 1.627,1306 1.213,1307 1.162,1308 1.541,1309 1.457,1310 0.728,1311 1.478,1312 4.394,1314 5.855,1315 2.398,1316 7.52,1317 5.043,1318 9.294,1319 7.402,1320 11.135,1322 13.412,1327 31.562,1328 2.128,1332 -2.739,1334 -2.754,1340 46.593,1341 106.455,1342 237.952,1343 366.27,1344 445.979,1345 458.244,1346 458.244,1347 180.165,1348 8.656,1349 128.97,1350 128.97,1351 23,1352 13.653,1353 2.585,1354 2.585,1355 64.684,1356 150,1357 184,1358 0.22,1359 282.304,1360 526.45,1361 680.581,1362 65997,1364 27.878,1365 0.753,1366 0.632,1367 27.878,1368 23.388,1369 16.923,1370 0.423,1371 0.346,1372 13.741,1373 16.445,1374 13.073,1375 10.777,1376 16.923,1377 13.847,1378 17.984,1379 0.268,1380 0.208,1381 17.984,1382 13.926,1383 15.554,1384 0.159,1385 0.118,1386 15.554,1387 11.557,1388 12.876,1389 0.093,1390 0.066,1391 12.876,1392 9.115,1393 10.649,1394 0.056,1395 0.035,1396 10.649,1397 6.641,1398 0.334,1399 105.58,1400 0.206,1401 32.61,1402 0.639,1403 214,1404 539.391,1405 228.947,1406 511.044,1407 665.74,1408 468,1409 272,1410 459.121,1411 285.621,1412 467.516,1413 694.7,1414 437,1415 4.645}
{0 CHEMBL1087194,1 1.535,2 8.286,3 2.322,4 5.391,5 78.958,6 7.134,7 0.478,8 3.784,9 3.907,10 3.313,11 3.312,12 4.859,13 3.289,14 4.342,15 4.525,16 3.692,17 3.706,18 5.404,19 3.66,20 4.565,21 4.776,22 3.815,23 3.84,24 5.602,25 3.793,26 4.588,27 4.785,28 3.774,29 3.803,30 5.792,31 3.75,32 4.583,33 4.81,34 3.546,35 3.714,36 5.65,37 3.636,38 4.423,39 4.652,40 3.421,41 3.605,42 5.538,43 3.492,44 4.386,45 4.644,46 3.093,47 3.46,48 5.29,49 3.31,50 4.245,51 4.531,52 2.834,53 3.207,54 5.104,55 3.04,56 0.021,57 0.588,58 8.636,59 3.7,60 6.257,61 4.974,62 0.215,63 0.936,64 16.596,65 6.378,66 22.854,67 8.86,68 0.171,69 1.145,70 21.338,71 7.205,72 22.946,73 10.47,74 0.348,75 1.152,76 21.989,77 7.007,78 49.335,79 10.027,80 0.362,81 1.07,82 22.862,83 6.617,84 49.368,85 9.602,86 0.327,87 0.927,88 18.866,89 6.472,90 44.919,91 9.512,92 0.214,93 0.821,94 18.861,95 6.289,96 30.995,97 9.117,98 0.197,99 0.658,100 16.938,101 5.455,102 29.716,103 8.003,104 20,105 33,106 0.274,107 0.62,108 0.801,109 0.836,110 0.854,111 0.854,112 3.105,113 0.962,114 -3.59,115 -3.56,116 -3.39,121 40,122 2,123 4,127 1,144 1,145 3,146 1,148 2,151 1,160 1,165 1,166 1,167 1,176 6,179 2,180 9,185 2,187 7,189 2,192 6,197 2,200 5,203 2,205 2,206 10,208 2,209 2,211 3,214 6,216 3,219 2,224 1,227 5,229 1,231 2,232 4,234 2,235 2,237 1,239 7,241 1,244 2,251 3,256 5,261 1,264 2,266 1,269 2,277 1,281 483,282 14.146,283 14.146,284 14.146,285 14.146,286 14.146,287 12.689,288 13.807,289 8.286,290 14.467,291 11.293,292 11.293,293 11.293,294 11.293,295 11.293,296 8.916,297 8.79,298 3.828,299 11.711,300 3.787,301 1.85,302 0.838,303 0.638,304 0.538,305 0.538,306 3.782,310 1,311 1,312 1,313 371,314 2.915,318 122.896,322 135.499,325 1.279,326 23.906,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 45.5,338 174,339 4.674,340 3.689,341 6.801,342 4.228,343 3.251,344 4.615,345 1.674,346 11.173,347 3.176,348 4.247,349 3.332,350 6.392,351 3.893,352 2.907,353 3.799,355 9.687,356 2.86,357 3.787,358 2.791,359 5.924,360 3.401,361 2.42,362 3.21,364 8.121,365 2.369,366 3.519,367 2.414,368 5.318,369 3.087,370 2.138,371 2.906,373 6.482,374 2.02,375 3.201,376 2.169,377 4.846,378 2.799,379 1.849,380 2.367,382 5.089,383 1.746,384 2.674,385 1.813,386 4.234,387 2.43,388 1.437,389 1.713,391 3.66,392 1.426,393 2.495,394 1.548,395 3.758,396 2.293,397 1.344,398 1.494,400 3.07,401 1.269,402 2.116,403 1.457,404 3.611,405 1.961,406 1,407 1.071,409 2.304,410 0.953,411 2.003,412 1.173,413 3.216,414 1.767,415 0.781,416 0.907,418 1.453,419 0.761,420 1.431,421 0.454,422 2.855,423 1.046,424 0.084,425 0.105,427 0.212,428 0.08,429 1.191,430 0.188,431 2.691,432 0.85,433 -0.11,434 -0.135,436 -0.276,437 -0.106,438 0.71,439 0.047,440 2.512,441 0.395,442 -0.583,443 -0.675,445 -0.919,446 -0.56,447 0.659,448 -0.466,449 2.064,450 0.334,451 -0.63,452 -0.751,454 -1.607,455 -0.606,456 0.399,457 -0.633,458 2,459 0.159,460 -0.841,461 -0.961,463 -2.098,464 -0.836,465 0.205,466 -0.769,467 1.674,468 -0.003,469 -1,470 -1.305,472 -2.867,473 -0.998,474 9.867,475 0.47,476 0.559,477 0.027,478 25.5,479 1.214,480 12,481 0.571,482 13.5,483 0.643,484 17.952,485 0.855,486 23.133,487 0.578,488 17.211,489 0.82,490 4.639,491 0.221,492 5.474,493 0.261,494 0.176,496 0.405,501 0.787,502 1.272,503 0.821,504 1.119,505 0.714,506 0.991,507 0.672,508 1.103,509 0.732,510 0.972,511 0.478,512 0.883,513 0.967,514 1.174,515 0.805,516 0.942,517 0.74,518 0.856,519 1.141,520 1.177,521 1.1,522 1.128,523 1.316,524 1.106,525 1.614,526 0.964,527 1.252,528 0.911,529 1.753,530 0.996,531 0.615,532 1.075,533 1.068,534 1.18,535 0.619,536 1.189,537 1.082,538 1.002,539 1.169,540 1.126,541 1.122,542 1.155,543 1.066,544 0.926,545 1.008,546 1.017,547 1.107,548 1.011,549 4,550 0.021,551 2.889,552 1.938,553 1.702,554 0.833,555 0.504,556 0.286,557 0.107,558 0.057,559 3823,560 9289,561 2.045,562 47.5,563 6,564 3,567 2,568 5,569 3,572 1.636,573 1.881,574 3.026,575 0.331,576 1,577 1,579 1,582 61.412,583 1.535,584 3.472,585 4.484,586 4.684,587 4.784,588 4.784,589 2.529,590 4.011,591 4.361,592 3.11,593 653.029,594 7.498,595 6613.39,596 1,597 1,599 1,600 212.877,601 1.51,602 4.305,603 0.174,604 0.007,605 0.088,606 0.052,607 0.052,608 0.032,609 0.023,610 0.019,611 0.01,612 0.009,613 0.466,614 0.67,615 1,616 1.292,617 92.607,618 -0.052,619 -0.049,620 0.042,621 -0.002,622 -0.072,623 0.034,624 0.202,625 -0.025,626 0.193,627 0.085,628 0.177,629 0.126,630 -0.052,631 -0.111,632 0.147,633 0.055,634 0.028,635 0.121,636 0.025,637 -0.079,638 -0.125,639 -0.17,640 0.003,641 -0.175,642 -0.322,643 0.065,644 -0.243,645 0.012,646 -0.31,647 -0.08,648 0.241,649 -0.045,650 -0.12,651 -0.2,652 0.223,653 -0.215,654 -0.13,655 -0.072,656 -0.193,657 -0.159,658 -0.154,659 -0.178,660 -0.056,661 -0.084,663 -0.068,664 -0.064,665 -0.03,666 2.026,667 4.986,668 0.667,669 14.952,670 1.001,671 1.131,672 2.356,673 5.55,674 0.65,675 3.178,676 3.526,677 3.85,678 4.143,679 4.419,680 4.554,681 4.663,682 4.812,683 4.868,684 4.727,685 4.783,686 0.618,687 285.38,688 3.178,689 4.727,690 5.602,691 6.503,692 7.399,693 8.309,694 9.213,695 10.127,696 11.035,697 11.951,698 7.5,702 1,708 2,714 2,715 1,716 2,720 5,722 11,732 1,733 1,741 40,743 12,745 23,747 42,748 16,749 8,752 1,756 3,757 6,763 2,767 4,770 4,772 9,773 7,777 1,782 1,786 1,789 1,790 1,793 19,794 5,795 2,796 5,802 3,808 0.333,809 2,822 2,829 3,833 2,859 1,864 2,868 21,869 1,876 5,878 1,893 5,896 1,898 1,901 11.167,902 7.9,903 4.667,904 2.742,907 2.483,908 1.354,909 0.984,910 3.707,911 9.503,912 3.418,913 4.069,914 4.727,915 5.367,916 6.009,917 6.462,918 6.863,919 7.278,920 7.592,921 7.551,922 0.833,923 37,924 7.796,926 3.332,927 0.026,929 7.754,931 14.968,933 12.405,936 2.254,937 47.333,938 0.001,941 200.109,942 67.978,943 66.468,945 36.145,948 67.978,949 236.254,950 66.468,951 17.65,952 14.731,953 42.373,954 65.907,955 29.93,957 200.109,959 200.109,960 134.446,961 36.145,964 166.511,965 71.458,968 37.894,969 61.266,970 33.571,972 200.109,973 102.613,974 67.978,977 200.109,978 40.852,979 27.127,981 102.613,982 200.109,983 102.613,984 67.978,986 0.582,987 0.356,988 0.201,989 0.11,990 17,991 8,992 0.071,993 3,994 2,995 1.286,996 3.2,997 168.419,998 0.286,999 14,1000 92.239,1005 14.121,1006 5.513,1007 2.435,1008 1.378,1009 102.613,1010 1.771,1011 9.097,1015 3.987,1017 32.897,1018 370.7,1019 29.5,1024 11.986,1028 -0.36,1031 40.029,1032 45.235,1034 0.288,1035 0.652,1036 0.843,1037 0.88,1038 0.899,1039 0.899,1040 4.67,1041 1,1042 5.609,1043 3.07,1044 4.205,1045 4.754,1046 1.888,1047 6.479,1048 4.144,1049 5.903,1050 0.781,1051 7.209,1052 2.304,1053 3.892,1054 4.796,1056 7.483,1057 3.825,1058 7.245,1059 0.084,1060 8.91,1061 1.453,1062 5.849,1063 7.073,1064 2.817,1065 10.626,1066 5.743,1067 8.628,1068 -0.11,1069 10.67,1070 0.212,1071 6.347,1072 7.922,1074 12.421,1075 6.235,1076 10.043,1077 -0.583,1078 12.466,1079 -0.276,1080 7.801,1081 9.724,1082 3.808,1083 15.088,1084 7.658,1085 11.481,1086 -0.63,1087 14.285,1088 -0.919,1089 8.665,1090 10.93,1092 17.211,1093 8.51,1094 12.937,1095 -0.841,1096 16.12,1097 -1.607,1098 9.927,1099 12.556,1100 4.825,1101 19.708,1102 9.748,1103 3.251,1104 -1,1105 17.968,1106 -2.098,1107 10.956,1108 13.929,1110 21.977,1111 10.758,1112 2.907,1113 11.173,1114 19.825,1115 -2.867,1116 12.148,1117 15.487,1118 5.851,1119 24.41,1120 11.927,1121 2.42,1122 9.687,1123 21.689,1124 4.615,1125 13.25,1126 16.939,1128 26.747,1129 13.007,1130 2.138,1131 8.121,1132 23.559,1133 3.799,1134 14.418,1135 18.472,1136 6.88,1137 29.158,1138 14.152,1139 1.849,1140 6.482,1141 25.434,1142 3.21,1143 15.553,1144 19.962,1146 31.528,1147 15.265,1148 1.437,1149 5.089,1150 27.314,1151 2.906,1152 16.715,1153 21.487,1154 7.91,1155 33.931,1156 16.404,1157 1.344,1158 3.66,1159 29.197,1160 2.367,1161 17.866,1162 22.995,1164 36.318,1165 17.531,1166 3822,1167 6071,1168 15.027,1169 26.017,1170 34.639,1171 35.976,1172 36.55,1173 34.419,1174 34.42,1175 44.374,1176 3.349,1177 102.501,1178 33.318,1179 5.619,1180 5.689,1181 6.57,1182 5.282,1183 5.251,1184 7.615,1185 3.349,1186 18.718,1187 5.176,1188 10.904,1189 1.506,1190 1.564,1191 1.589,1192 1.496,1193 1.497,1194 1.929,1195 0.146,1196 4.457,1197 1.449,1198 4.109,1199 4.141,1200 4.081,1201 4.017,1202 7.433,1203 4.028,1204 3.774,1205 3.812,1206 3.693,1207 3.668,1208 5.162,1209 3.666,1210 3.539,1211 3.589,1212 3.413,1213 3.326,1214 4.842,1215 3.335,1216 3.375,1217 3.447,1218 3.219,1219 3.223,1220 4.478,1221 3.21,1222 3.171,1223 3.239,1224 3.052,1225 2.967,1226 4.365,1227 2.974,1228 3.092,1229 3.167,1230 2.906,1231 2.883,1232 3.975,1233 2.872,1234 2.902,1235 3.012,1236 2.738,1237 2.706,1238 3.849,1239 2.717,1240 2.852,1241 2.918,1242 2.642,1243 2.548,1244 3.612,1245 2.566,1246 0.203,1247 0.16,1248 0.296,1249 0.184,1250 0.141,1251 4.674,1252 0.201,1253 3.689,1254 0.073,1255 6.801,1256 0.486,1257 4.228,1258 0.138,1259 3.251,1260 4.615,1261 1.674,1262 11.173,1263 3.176,1264 2.05,1265 2.024,1266 2.132,1267 2.161,1268 1.422,1269 2.152,1270 1.763,1271 1.725,1272 1.931,1273 1.904,1274 1.116,1275 1.916,1276 1.488,1277 1.429,1278 1.799,1279 1.74,1280 0.937,1281 1.757,1282 1.376,1283 1.313,1284 1.623,1285 1.57,1286 0.772,1287 1.591,1288 1.136,1289 1.062,1290 1.455,1291 1.37,1292 0.722,1293 1.394,1294 1.075,1295 1.005,1296 1.338,1297 1.338,1298 0.468,1299 1.341,1300 0.836,1301 0.796,1302 1.14,1303 1.198,1304 0.15,1305 1.198,1306 0.787,1307 0.673,1308 1.062,1309 1.068,1310 0.083,1311 1.073,1312 3.85,1314 5.187,1316 6.746,1318 8.413,1320 10.137,1322 3.58,1326 6.301,1328 4.524,1330 5.07,1340 24.708,1341 61.412,1342 138.877,1343 179.367,1344 187.367,1345 191.367,1346 191.367,1347 34.97,1348 7.02,1349 78.1,1350 78.1,1351 18,1352 12.464,1353 3.7,1354 2.907,1355 32.026,1356 61,1357 68,1358 0.276,1359 152.879,1360 261.22,1361 364.784,1362 9040,1364 14.983,1365 0.713,1366 0.591,1367 14.983,1368 12.401,1369 10.113,1370 0.44,1371 0.321,1372 7.285,1373 9.741,1374 7.067,1375 5.86,1376 10.113,1377 7.372,1378 9.106,1379 0.276,1380 0.163,1381 9.106,1382 5.371,1383 7.954,1384 0.173,1385 0.087,1386 7.954,1387 3.983,1388 6.871,1389 0.111,1390 0.047,1391 6.871,1392 2.885,1393 5.456,1394 0.067,1395 0.025,1396 5.456,1397 2.086,1398 0.413,1399 63.271,1400 0.258,1401 20.273,1402 0.815,1403 112,1404 322.074,1405 123.057,1406 309.223,1407 428.09,1408 290,1409 135,1410 321.57,1411 145.645,1412 323.67,1413 481.29,1414 306,1415 6.108}
{0 CHEMBL109018,1 1.468,2 9.5,3 5.024,4 25.242,5 86.068,6 8.508,7 0.5,8 3.714,9 3.791,10 3.397,11 3.34,12 4.869,13 3.318,14 4.22,15 4.343,16 3.787,17 3.704,18 5.405,19 3.673,20 4.405,21 4.526,22 3.858,23 3.822,24 5.567,25 3.775,26 4.514,27 4.679,28 3.694,29 3.745,30 5.652,31 3.662,32 4.448,33 4.667,34 3.445,35 3.572,36 5.505,37 3.463,38 4.119,39 4.321,40 3.281,41 3.366,42 5.218,43 3.275,44 3.981,45 4.17,46 3.275,47 3.298,48 5.021,49 3.209,50 3.896,51 4.048,52 3.204,53 3.221,54 5.015,55 3.134,56 0.031,57 0.421,58 5.825,59 3.457,60 5.088,61 4.019,62 0.222,63 0.695,64 12.524,65 5.926,66 22.439,67 6.965,68 0.181,69 0.824,70 16.691,71 7.227,72 20.191,73 8.195,74 0.433,75 0.922,76 20.391,77 8.108,78 43.1,79 9.151,80 0.463,81 0.869,82 24.644,83 8.082,84 52.455,85 9.628,86 0.281,87 0.641,88 13.87,89 5.649,90 31.075,91 7.02,92 0.166,93 0.549,94 12.153,95 4.943,96 20.666,97 5.992,98 0.233,99 0.474,100 12.97,101 4.447,102 25.805,103 4.82,104 17,105 34,106 0.264,107 0.601,108 0.747,109 0.853,110 0.882,111 0.882,112 3.146,113 0.917,114 -5.59,115 -5.46,116 -5.09,121 48.6,122 2,127 1,138 2,144 7,145 2,146 3,160 1,176 10,179 1,180 7,187 14,192 8,200 11,205 1,206 7,214 8,219 4,227 7,231 1,232 4,239 5,244 3,251 8,256 2,264 7,269 4,277 8,281 596,282 14.585,283 14.585,284 14.585,285 14.585,286 14.585,287 12.642,288 16.587,289 8.444,290 14.932,291 11.802,292 11.802,293 11.802,294 11.802,295 11.802,296 8.883,297 20.372,298 4.016,299 12.403,300 3.741,301 1.873,302 1.058,303 0.473,304 0.311,305 0.311,306 3.825,308 1,311 1,312 1,313 446,314 2.449,318 181.361,322 93.683,325 1.545,326 21.341,329 0.75,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.84,337 47.333,338 209,339 4.545,340 3.763,341 6.706,342 4.16,343 3.18,344 4.161,345 1.674,346 10.727,347 3.116,348 4.053,349 3.103,350 5.869,351 3.633,352 2.677,353 3.65,354 1.151,355 7.937,356 2.555,357 3.963,358 3,359 5.519,360 3.525,361 2.55,362 3.451,364 7.455,365 2.483,366 3.502,367 2.789,368 5.334,369 3.153,370 2.19,371 2.761,373 6.663,374 2.092,375 3.323,376 2.534,377 5.065,378 2.919,379 2,380 2.538,382 5.811,383 1.808,384 3.252,385 2.325,386 4.734,387 2.82,388 1.9,389 2.441,391 5.26,392 1.675,393 2.676,394 1.605,395 3.922,396 2.187,397 1.213,398 1.753,400 2.903,401 1.155,402 2.655,403 1.38,404 3.491,405 2.141,406 1.14,407 1.667,409 2.627,410 1.133,411 1.899,412 1.131,413 3.293,414 1.601,415 0.684,416 0.796,418 1.65,419 0.616,420 1.575,421 0.938,422 3.103,423 1.363,424 0.376,425 0.415,427 0.862,428 0.368,429 1.212,430 0.654,431 2.792,432 0.866,433 -0.097,434 -0.122,436 -0.25,437 -0.092,438 0.98,439 0.21,440 2.471,441 0.575,442 -0.364,443 -0.461,445 -0.842,446 -0.252,447 0.854,448 0.032,449 2.146,450 0.372,451 -0.463,452 -0.565,454 -1.204,455 -0.394,456 0.602,457 -0.298,458 2,459 0.171,460 -0.797,461 -1.021,463 -2.031,464 -0.764,465 0.482,466 -0.593,467 1.733,469 -1,470 -1.392,472 -2.84,473 -0.986,474 10.714,475 0.487,476 0.63,477 0.029,478 29.5,479 1.341,480 16,481 0.727,482 13.5,483 0.614,484 16.307,485 0.741,486 22.886,487 0.619,488 19.888,489 0.904,490 5.952,491 0.271,492 4.59,493 0.209,494 0.191,496 0.373,501 0.691,502 1.048,503 0.576,504 0.932,505 0.603,506 0.855,507 0.797,508 0.921,509 0.611,510 0.815,511 0.537,512 0.775,513 1.101,514 1.205,515 1.008,516 1.168,517 0.838,518 1.093,519 1.286,520 1.146,521 1.016,522 1.088,523 1.262,524 1.148,525 1.186,526 0.87,527 1.072,528 0.969,529 1.316,530 0.976,531 0.803,532 0.945,533 0.676,534 0.869,535 0.79,536 0.92,537 0.971,538 0.959,539 0.792,540 0.861,541 0.821,542 0.9,543 1.578,544 0.917,545 1.428,546 0.978,547 1.453,548 1.04,549 5,550 0.124,551 2.667,552 1.625,553 1.551,554 0.493,555 0.385,556 0.217,557 0.209,558 0.162,559 5104,560 15768,561 2.043,562 40.5,563 6,564 9,572 1.64,573 1.886,574 3.237,575 -0.807,582 54.333,583 1.468,584 3.336,585 4.151,586 4.736,587 4.898,588 4.898,589 2.704,590 4.096,591 4.433,592 3.39,593 783.203,594 7.59,595 8690.82,597 1,600 192.75,601 1.495,602 4.376,603 0.208,604 0.01,605 0.078,606 0.046,607 0.057,608 0.023,609 0.02,610 0.012,611 0.013,612 0.011,613 0.481,614 0.67,615 0.88,616 0.65,617 101.796,618 -0.014,619 -0.053,620 0.025,621 -0.039,622 -0.074,623 0.004,624 0.104,625 0.07,626 0.124,627 0.108,628 0.139,629 0.129,630 -0.108,631 -0.231,632 -0.139,633 -0.234,634 -0.042,635 -0.195,636 -0.094,637 -0.169,638 -0.161,639 -0.147,640 -0.129,641 -0.221,642 -0.071,643 0.103,644 -0.056,645 0.018,646 -0.122,647 0.034,648 0.108,649 0.042,650 0.092,651 0.081,652 0.099,653 0.068,654 -0.07,655 0.021,656 0.092,657 0.105,658 -0.023,659 0.085,660 -0.311,661 0.045,662 -0.253,663 0.013,664 -0.276,665 -0.104,666 1.975,667 4.76,668 0.727,669 17.554,670 1.01,671 1.105,672 4.355,673 18.967,674 0.711,675 3.219,676 3.555,677 3.807,678 4.025,679 4.248,680 4.277,681 4.29,682 4.369,683 4.477,684 4.419,685 5.771,686 0.681,687 314.78,688 3.219,689 4.762,690 5.609,691 6.485,692 7.347,693 8.226,694 9.094,695 9.976,696 10.848,697 11.732,715 7,720 5,722 12,739 1,740 1,741 37,743 14,744 2,745 24,747 39,748 18,749 12,750 5,751 7,752 3,756 3,757 4,758 1,763 2,772 15,773 3,777 2,782 1,786 3,793 15,794 3,796 4,797 1,808 0.667,809 3,829 3,833 1,846 1,850 2,859 2,864 2,865 1,868 22,876 1,878 2,892 1,893 8.1,896 1,898 2,901 11.667,902 7.476,903 4.778,904 2.161,907 2.64,908 1.382,909 0.98,910 4.12,911 9.555,912 3.497,913 4.111,914 4.649,915 5.165,916 5.678,917 5.857,918 6.089,919 6.412,920 6.724,921 6.851,922 1,923 35,924 8.104,926 3.419,927 0.026,929 7.816,931 15.317,933 12.363,936 2.316,937 50.944,941 176.567,942 122.498,944 39.149,945 47.145,948 122.498,949 262.86,951 17.65,952 4.592,953 66.334,954 32.336,955 48.73,957 176.567,958 39.149,959 176.567,960 122.498,961 47.145,962 39.149,964 176.567,965 47.145,968 22.243,969 100.255,970 39.149,972 176.567,973 47.145,974 161.646,977 176.567,978 38.513,979 83.984,981 86.293,982 176.567,983 47.145,984 161.646,986 0.591,987 0.346,988 0.176,989 0.094,990 17,991 8,992 0.077,993 3,994 1,995 1.125,996 3.429,997 169.735,998 0.125,999 16,1000 98.107,1005 14.98,1006 6.051,1007 3.147,1009 47.145,1010 13.033,1015 3.772,1018 385.357,1019 32,1024 11.76,1028 1.268,1031 37.374,1032 40.894,1034 0.282,1035 0.64,1036 0.797,1037 0.909,1038 0.94,1039 0.94,1040 4.736,1041 1.14,1042 5.609,1043 2.903,1044 4.234,1045 4.796,1046 2.225,1047 6.415,1048 4.144,1049 5.962,1050 0.684,1051 7.174,1052 2.627,1053 3.892,1054 4.649,1056 7.29,1057 3.756,1058 7.282,1059 0.376,1060 8.835,1061 1.65,1062 5.832,1063 6.983,1064 3.007,1065 10.383,1066 5.681,1067 8.633,1068 -0.097,1069 10.55,1070 0.862,1071 6.256,1072 7.581,1074 12.051,1075 6.082,1076 10.012,1077 -0.364,1078 12.3,1079 -0.25,1080 7.701,1081 9.427,1082 3.906,1083 14.695,1084 7.51,1085 11.41,1086 -0.463,1087 14.076,1088 -0.842,1089 8.489,1090 10.387,1092 16.729,1093 8.283,1094 12.824,1095 -0.797,1096 15.87,1097 -1.204,1098 9.739,1099 12.016,1100 4.873,1101 19.213,1102 9.517,1103 3.18,1104 -1,1105 17.68,1106 -2.031,1107 10.708,1108 13.172,1110 21.423,1111 10.472,1112 2.677,1113 10.727,1114 19.504,1115 -2.84,1116 11.883,1117 14.692,1118 5.874,1119 23.843,1120 11.631,1121 2.55,1122 7.937,1123 21.338,1124 4.161,1125 12.941,1126 15.959,1128 26.138,1129 12.674,1130 2.19,1131 7.455,1132 23.182,1133 3.65,1134 14.09,1135 17.424,1136 6.891,1137 28.531,1138 13.807,1139 2,1140 6.663,1141 25.035,1142 3.451,1143 15.193,1144 18.754,1146 30.867,1147 14.894,1148 1.9,1149 5.811,1150 26.895,1151 2.761,1152 16.335,1153 20.192,1154 7.915,1155 33.248,1156 16.02,1157 1.213,1158 5.26,1159 28.761,1160 2.538,1161 17.461,1162 21.558,1164 35.603,1165 17.129,1166 4978,1167 8863,1168 15.72,1169 26.313,1170 36.222,1171 37.793,1172 37.402,1173 36.007,1174 35.82,1175 47.266,1176 5.65,1177 103.789,1178 34.003,1179 5.405,1180 5.763,1181 6.267,1182 5.253,1183 5.18,1184 7.161,1185 3.349,1186 18.236,1187 5.116,1188 11.69,1189 1.509,1190 1.575,1191 1.558,1192 1.5,1193 1.492,1194 1.969,1195 0.235,1196 4.325,1197 1.417,1198 4.016,1199 4.026,1200 4.014,1201 3.937,1202 7.433,1203 3.943,1204 3.899,1205 3.919,1206 3.95,1207 3.848,1208 4.964,1209 3.84,1210 3.601,1211 3.627,1212 3.546,1213 3.494,1214 4.869,1215 3.496,1216 3.206,1217 3.251,1218 3.358,1219 3.043,1220 4.513,1221 3.041,1222 3.148,1223 3.204,1224 3.043,1225 2.911,1226 4.293,1227 2.918,1228 2.992,1229 3.053,1230 2.981,1231 2.79,1232 4.127,1233 2.767,1234 2.878,1235 2.921,1236 2.749,1237 2.765,1238 4.023,1239 2.757,1240 2.784,1241 2.845,1242 2.627,1243 2.619,1244 3.682,1245 2.615,1246 0.189,1247 0.157,1248 0.279,1249 0.173,1250 0.133,1251 4.545,1252 0.173,1253 3.763,1254 0.07,1255 6.706,1256 0.447,1257 4.16,1258 0.13,1259 3.18,1260 4.161,1261 1.674,1262 10.727,1263 3.116,1264 1.961,1265 1.95,1266 2.047,1267 2.061,1268 1.196,1269 2.054,1270 1.892,1271 1.871,1272 1.991,1273 1.967,1274 1.129,1275 1.981,1276 1.58,1277 1.551,1278 1.764,1279 1.721,1280 0.867,1281 1.733,1282 1.174,1283 1.126,1284 1.533,1285 1.405,1286 0.601,1287 1.447,1288 1.122,1289 1.041,1290 1.422,1291 1.379,1292 0.581,1293 1.396,1294 0.929,1295 0.887,1296 1.15,1297 1.237,1298 0.177,1299 1.204,1300 0.867,1301 0.824,1302 1.084,1303 1.013,1304 0.162,1305 1.055,1306 0.779,1307 0.722,1308 1.038,1309 0.982,1310 0.118,1311 1.013,1312 3.892,1314 5.22,1316 6.749,1318 8.371,1320 10.043,1322 3.686,1323 5.949,1328 0.404,1330 11.073,1340 25.186,1341 54.333,1342 123.447,1343 153.589,1344 175.24,1345 181.24,1346 181.24,1347 33.89,1348 6.915,1349 39.44,1350 39.44,1351 18,1352 12.268,1353 3.907,1354 3.17,1355 34.678,1356 77,1357 66,1358 0.225,1359 158.155,1360 281.54,1361 377.658,1362 8706,1363 2.7,1364 15.69,1365 0.713,1366 0.596,1367 16.19,1368 13.107,1369 10.542,1370 0.439,1371 0.306,1372 6.912,1373 9.919,1374 6.62,1375 5.51,1376 10.83,1377 7.335,1378 9.749,1379 0.287,1380 0.166,1381 10.158,1382 5.653,1383 8.255,1384 0.188,1385 0.09,1386 8.517,1387 3.958,1388 6.504,1389 0.118,1390 0.046,1391 6.772,1392 2.525,1393 5.093,1394 0.074,1395 0.023,1396 5.27,1397 1.591,1398 0.354,1399 68.728,1400 0.252,1401 21.795,1402 0.612,1403 116,1404 367.41,1405 141.594,1406 379.51,1407 506.69,1408 354,1409 136,1410 348.226,1411 155.725,1412 361.943,1413 528.98,1414 339,1415 5.47}
{0 CHEMBL1098479,1 1.154,2 11.424,3 5.568,4 30.999,5 137.185,6 5.639,8 4.428,9 4.565,10 3.74,11 3.974,12 5.279,13 3.884,14 5.092,15 5.297,16 4.26,17 4.508,18 5.834,19 4.402,20 5.528,21 5.727,22 4.51,23 4.863,24 6.417,25 4.727,26 5.862,27 6.124,28 4.438,29 5.023,30 6.602,31 4.82,32 5.917,33 6.23,34 4.269,35 4.963,36 6.527,37 4.712,38 5.782,39 6.104,40 4.142,41 4.791,42 6.393,43 4.547,44 5.615,45 5.916,46 4.084,47 4.671,48 6.264,49 4.448,50 5.583,51 5.887,52 4.061,53 4.597,54 6.313,55 4.384,56 0.102,57 1.069,58 20.729,59 9.339,60 15.012,61 12.861,62 0.194,63 1.924,64 38.41,65 16.846,66 24.237,67 23.478,68 0.507,69 2.857,70 59.617,71 24.928,72 80.341,73 34.853,74 0.591,75 3.64,76 78.006,77 31.984,78 89.388,79 45.471,80 0.477,81 3.641,82 77.943,83 32.328,84 76.761,85 46.656,86 0.483,87 3.09,88 67.811,89 27.34,90 73.303,91 39.509,92 0.41,93 2.685,94 58.778,95 23.658,96 57.468,97 34.004,98 0.465,99 2.521,100 57.093,101 22.076,102 72.393,103 31.742,104 127,105 61,106 0.179,107 0.409,108 0.632,109 0.804,110 0.85,111 0.85,112 3.533,113 1.12,114 -6.29,115 -6.13,116 -5.69,121 37,122 8,123 8,124 3,125 4,129 1,132 1,137 2,138 2,158 1,176 27,180 2,185 3,187 46,192 4,196 1,197 4,200 60,206 2,211 2,214 53,219 3,224 3,227 39,232 2,237 4,239 32,244 2,249 6,251 25,256 3,261 7,264 24,269 3,274 5,277 15,281 1744,282 20.356,283 20.356,284 20.356,285 20.356,286 20.356,287 19.81,288 23.119,289 10.628,290 20.409,291 17.541,292 17.541,293 17.541,294 17.541,295 17.541,296 16.616,297 29.754,298 4.813,299 17.643,300 5.186,301 3.705,302 2.266,303 1.161,304 0.865,305 0.865,306 4.207,312 1,313 796,314 5.339,317 54.509,318 183.881,321 90.117,322 203.442,325 2.073,326 35.283,329 0.75,330 0.67,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.85,337 69,338 377,339 5.037,340 4.162,341 8.689,342 4.981,343 3.981,344 4.203,345 2.178,346 17.489,347 3.981,348 4.774,349 4.046,350 8.115,351 4.743,352 3.74,353 3.83,355 15.557,356 3.751,357 4.29,358 3.602,359 7.352,360 4.238,361 3.285,362 3.442,364 12.365,365 3.181,366 4.28,367 3.532,368 7.053,369 4.165,370 3.158,371 3.285,373 11.338,374 3.118,375 3.835,376 2.887,377 6.846,378 3.75,379 2.75,380 2.916,382 10.51,383 2.751,384 3.325,385 2.669,386 5.884,387 3.216,388 2.217,389 2.355,391 7.19,392 2.214,393 3.215,394 2.292,395 5.553,396 2.934,397 1.911,398 2.264,400 6.264,401 1.953,402 3.05,403 2.016,404 5.189,405 2.875,406 1.866,407 2.056,409 5.377,410 1.877,411 2.704,412 1.919,413 4.508,414 2.586,415 1.625,416 1.662,418 4.322,419 1.557,420 2.61,421 1.771,422 4.419,423 2.402,424 1.394,425 1.59,427 3.691,428 1.403,429 2.209,430 1.281,431 4.197,432 2.18,433 1.198,434 1.205,436 3.146,437 1.172,438 1.995,439 1.155,440 3.899,441 1.819,442 0.817,443 0.893,445 2.226,446 0.817,447 1.659,448 1.054,449 3.736,450 1.465,451 0.421,452 0.479,454 1.019,455 0.436,456 1.358,457 0.507,458 3.418,459 1.286,460 0.32,461 0.325,463 0.727,464 0.307,465 1.162,466 0.238,467 3.257,468 1.035,469 0.034,470 0.036,472 0.091,473 0.034,474 16,475 0.485,476 1.67,477 0.051,478 23.25,479 0.705,480 4.5,481 0.136,482 18.75,483 0.568,484 61.662,485 1.869,486 39.8,487 0.491,488 13.015,489 0.394,490 2.335,491 0.071,492 12.752,493 0.386,494 0.313,495 0.156,496 0.219,501 0.832,502 1.235,503 1.124,504 1.234,505 0.889,506 1.208,507 0.619,508 1.015,509 0.855,510 1.007,511 0.588,512 0.958,513 1.049,514 1.249,515 1.211,516 1.25,517 1.001,518 1.245,519 1.04,520 1.148,521 1.206,522 1.159,523 1.063,524 1.192,525 0.462,526 1.04,527 0.945,528 1.046,529 0.465,530 1.038,531 0.644,532 0.905,533 0.868,534 0.908,535 0.644,536 0.908,537 0.733,538 1.033,539 0.959,540 1.033,541 0.713,542 1.018,543 1.004,544 0.953,545 0.927,546 0.948,547 0.956,548 0.933,549 12.5,550 0.248,551 9.556,552 5.229,553 3.659,554 1.858,555 1.274,556 1.036,557 0.663,558 0.336,559 12983,560 22764,561 1.922,562 59.3,563 33,564 3,567 2,568 2,569 8,572 1.754,573 1.685,574 3.418,575 0.042,582 93.488,583 1.154,584 2.635,585 4.074,586 5.179,587 5.475,588 5.475,589 2.965,590 4.597,591 5.009,592 3.64,593 1922.11,594 8.787,595 26799.3,600 513.528,601 1.937,602 4.874,603 0.347,604 0.011,605 0.157,606 0.072,607 0.058,608 0.036,609 0.028,610 0.024,611 0.016,612 0.012,613 0.761,614 0.5,615 0.88,616 1.445,617 171.446,618 -0.048,619 0.099,620 0.032,621 0.095,622 -0.123,623 0.073,624 0.057,625 0.186,626 0.215,627 0.194,628 0.051,629 0.215,630 0.001,631 -0.07,632 -0.11,633 -0.078,634 0.04,635 -0.1,636 -0.123,637 -0.093,638 -0.191,639 -0.105,640 -0.11,641 -0.148,642 0.023,643 -0.065,644 -0.026,645 -0.063,646 0.021,647 -0.05,648 0.017,649 0.039,650 0.055,651 0.041,652 0.012,653 0.05,654 0.014,655 -0.052,656 -0.004,657 -0.048,658 -0.011,659 -0.03,660 0.004,661 0.002,662 0.045,663 0.007,664 0.015,665 0.027,666 2.287,667 5.785,668 0.515,669 35.28,670 0.978,671 1.131,672 5.058,673 25.586,674 0.613,675 3.611,676 4.127,677 4.477,678 4.736,679 5.004,680 5.242,681 5.485,682 5.697,683 5.829,684 5.932,685 6.73,686 0.553,687 456.78,688 3.611,689 5.273,690 6.196,691 7.168,692 8.117,693 9.092,694 10.053,695 11.032,696 12,697 12.982,741 81,743 3,745 36,747 84,748 30,752 4,756 4,757 10,763 8,764 4,766 4,767 6,768 2,770 9,772 5,773 25,774 4,777 3,782 1,784 2,786 3,793 48,794 3,795 2,796 3,808 0.25,809 3,811 1,812 1,828 1,829 3,832 1,833 2,841 1,849 2,850 2,857 2,859 1,864 8,868 33,875 2,876 8,880 4,882 5,893 3.7,894 2,896 1,901 19.583,902 16.567,903 6.66,904 5.415,907 0.89,908 1.106,909 0.848,910 5.944,911 9.318,912 3.689,913 4.248,914 4.691,915 5.03,916 5.407,917 5.746,918 6.087,919 6.361,920 6.558,921 6.735,922 0.875,923 73,924 12.481,926 5.626,927 0.026,929 7.548,931 25.058,933 23.28,936 2.048,937 67.583,941 541.471,942 121.335,945 110.512,948 121.335,949 651.982,951 70.602,952 20.276,953 104.319,954 30.278,955 6.371,957 541.471,959 541.471,960 121.335,961 110.512,964 447.302,965 119.314,966 85.367,968 90.878,969 11.505,970 18.952,972 541.471,973 110.512,974 121.335,977 541.471,978 31.781,979 89.554,981 110.512,982 541.471,983 110.512,984 121.335,986 0.64,987 0.392,988 0.177,989 0.09,990 34,991 17,992 0.06,993 5,994 3,995 1.353,996 3.875,997 340.459,998 0.353,999 17,1000 162.465,1005 25.179,1006 7.79,1007 3.546,1009 110.512,1017 85.367,1018 773.317,1019 39,1024 12.785,1026 5.101,1028 3.591,1031 79.188,1032 91.593,1034 0.182,1035 0.416,1036 0.643,1037 0.817,1038 0.864,1039 0.864,1040 5.124,1041 1.866,1042 6.365,1043 6.264,1044 4.812,1045 4.934,1046 2.134,1047 7.452,1048 4.802,1049 6.413,1050 1.625,1051 8.137,1052 5.377,1053 5.094,1054 5.198,1055 2.036,1056 9.242,1057 5.071,1058 7.835,1059 1.394,1060 10.034,1061 4.322,1062 6.819,1063 7.038,1064 3.359,1065 12.397,1066 6.8,1067 9.289,1068 1.198,1069 12.004,1070 3.691,1071 7.812,1072 8.01,1073 3.746,1074 14.89,1075 7.786,1076 10.777,1077 0.817,1078 14.018,1079 3.146,1080 9.218,1081 9.509,1082 4.781,1083 17.772,1084 9.194,1085 12.287,1086 0.421,1087 16.06,1088 2.226,1089 10.44,1090 10.734,1091 5.379,1092 20.482,1093 10.414,1094 13.813,1095 0.32,1096 18.122,1097 1.019,1098 11.78,1099 12.147,1100 6.279,1101 23.313,1102 11.757,1103 3.981,1104 0.034,1105 20.2,1106 0.727,1107 13.077,1108 13.471,1109 6.973,1110 26.1,1111 13.055,1112 3.74,1113 17.489,1114 22.289,1115 0.091,1116 14.411,1117 14.866,1118 7.81,1119 28.928,1120 14.392,1121 3.285,1122 15.557,1123 24.387,1124 4.203,1125 15.738,1126 16.232,1127 8.548,1128 31.745,1129 15.722,1130 3.158,1131 12.365,1132 26.493,1133 3.83,1134 17.078,1135 17.628,1136 9.354,1137 34.578,1138 17.065,1139 2.75,1140 11.338,1141 28.606,1142 3.442,1143 18.419,1144 19.016,1145 10.114,1146 37.41,1147 18.409,1148 2.217,1149 10.51,1150 30.724,1151 3.285,1152 19.767,1153 20.418,1154 10.905,1155 40.249,1156 19.759,1157 1.911,1158 7.19,1159 32.847,1160 2.916,1161 21.116,1162 21.819,1163 11.675,1164 43.089,1165 21.112,1166 12875,1167 17029,1168 21.553,1169 49.637,1170 58.501,1171 59.426,1172 62.826,1173 57.517,1174 57.436,1175 61.076,1176 4.357,1177 202.621,1178 57.103,1179 6.037,1180 6.136,1181 8.001,1182 5.981,1183 5.981,1184 6.792,1185 3.677,1186 27.292,1187 5.981,1188 24.834,1189 1.625,1190 1.651,1191 1.745,1192 1.598,1193 1.595,1194 1.697,1195 0.121,1196 5.628,1197 1.586,1198 4.145,1199 4.175,1200 4.071,1201 4.089,1202 7.426,1203 4.081,1204 3.93,1205 3.968,1206 3.836,1207 3.849,1208 6.493,1209 3.84,1210 3.799,1211 3.84,1212 3.682,1213 3.666,1214 6.4,1215 3.662,1216 3.623,1217 3.669,1218 3.511,1219 3.506,1220 4.657,1221 3.501,1222 3.487,1223 3.55,1224 3.33,1225 3.36,1226 4.319,1227 3.344,1228 3.412,1229 3.477,1230 3.25,1231 3.288,1232 4.155,1233 3.271,1234 3.321,1235 3.4,1236 3.122,1237 3.182,1238 4.029,1239 3.157,1240 3.214,1241 3.296,1242 3.014,1243 3.035,1244 3.979,1245 3.016,1246 0.14,1247 0.116,1248 0.241,1249 0.138,1250 0.111,1251 5.037,1252 0.117,1253 4.162,1254 0.061,1255 8.689,1256 0.486,1257 4.981,1258 0.111,1259 3.981,1260 4.203,1261 2.178,1262 17.489,1263 3.981,1264 2.072,1265 2.047,1266 2.196,1267 2.151,1268 1.597,1269 2.167,1270 1.875,1271 1.836,1272 2.064,1273 2.002,1274 1.475,1275 2.024,1276 1.791,1277 1.75,1278 1.984,1279 1.932,1280 1.341,1281 1.949,1282 1.681,1283 1.635,1284 1.911,1285 1.85,1286 1.214,1287 1.873,1288 1.504,1289 1.447,1290 1.776,1291 1.671,1292 1.022,1293 1.71,1294 1.449,1295 1.385,1296 1.743,1297 1.634,1298 0.992,1299 1.675,1300 1.405,1301 1.339,1302 1.677,1303 1.586,1304 0.937,1305 1.62,1306 1.239,1307 1.164,1308 1.577,1309 1.458,1310 0.77,1311 1.502,1312 4.29,1314 5.759,1315 2.398,1316 7.431,1317 4.949,1318 9.2,1319 7.248,1320 11.023,1322 17.614,1327 20.545,1328 7.885,1332 0.856,1334 -0.794,1340 44.788,1341 93.488,1342 213.439,1343 330.005,1344 419.489,1345 443.489,1346 443.489,1347 100.482,1348 8.428,1349 57.53,1350 57.53,1351 23,1352 13.454,1353 2,1354 2,1355 54.394,1356 132,1357 136,1358 0.21,1359 272.174,1360 496.57,1361 655.864,1362 51697,1364 24.613,1365 0.746,1366 0.68,1367 24.613,1368 22.424,1369 15.088,1370 0.419,1371 0.373,1372 13.396,1373 14.888,1374 12.628,1375 10.506,1376 15.088,1377 13.442,1378 16.45,1379 0.27,1380 0.228,1381 16.45,1382 13.909,1383 14.29,1384 0.164,1385 0.132,1386 14.29,1387 11.45,1388 10.791,1389 0.095,1390 0.077,1391 10.791,1392 8.735,1393 8.471,1394 0.057,1395 0.042,1396 8.471,1397 6.22,1398 0.323,1399 92.182,1400 0.215,1401 29.947,1402 0.598,1403 194,1404 336.035,1405 200.976,1406 333.025,1407 457.68,1408 308,1409 245,1410 339.939,1411 251.755,1412 354.726,1413 525.68,1414 331,1415 4.601}
{0 CHEMBL109869,1 1.399,2 6.9,3 3.586,4 12.856,5 79.249,6 7.253,7 0.478,8 3.72,9 3.843,10 3.279,11 3.346,12 4.769,13 3.306,14 4.294,15 4.46,16 3.709,17 3.811,18 5.277,19 3.749,20 4.628,21 4.828,22 3.847,23 4.001,24 5.618,25 3.916,26 4.729,27 4.977,28 3.796,29 3.94,30 5.809,31 3.835,32 4.616,33 4.868,34 3.456,35 3.791,36 5.587,37 3.658,38 4.494,39 4.792,40 3.252,41 3.585,42 5.339,43 3.422,44 4.175,45 4.438,46 2.847,47 3.249,48 5.251,49 3.102,50 3.824,51 4.152,52 2.307,53 2.775,54 4.707,55 2.559,56 0.028,57 0.598,58 7.71,59 3.617,60 6.446,61 4.732,62 0.041,63 1.024,64 14.622,65 6.733,66 10.34,67 8.974,68 0.113,69 1.41,70 21.693,71 9.02,72 21.81,73 12.117,74 0.337,75 1.535,76 25.857,77 9.56,78 56.035,79 13.367,80 0.27,81 1.327,82 23.315,83 8.085,84 45.164,85 11.053,86 0.157,87 1.086,88 21.563,89 8.318,90 29.805,91 11.601,92 0.245,93 0.918,94 15.893,95 5.576,96 44.552,97 6.846,98 0.093,99 0.54,100 11.497,101 4.415,102 19.84,103 6.068,104 10,105 35,106 0.253,107 0.663,108 0.826,109 0.878,110 0.878,111 0.878,112 3.061,113 0.935,114 -4.76,115 -4.67,116 -4.39,121 45.9,122 1,123 3,124 2,137 1,138 1,144 3,145 2,146 2,148 2,165 1,166 1,167 1,176 11,180 4,185 2,187 17,189 2,192 3,197 1,200 11,203 1,206 4,208 1,209 1,211 5,214 11,216 5,219 1,224 3,227 7,229 3,232 1,237 2,239 10,241 2,251 6,264 4,277 1,281 372,282 13.464,283 13.464,284 13.464,285 13.464,286 13.464,287 11.819,288 13.507,289 7.623,290 13.58,291 11.373,292 11.373,293 11.373,294 11.373,295 11.373,296 8.878,297 13.094,298 3.643,299 11.602,300 3.81,301 1.535,302 0.635,303 0.345,304 0.345,305 0.345,306 3.759,310 1,311 1,312 1,313 309,314 2.121,318 120.688,320 40.403,322 98.197,324 58.999,325 1.02,326 21.292,327 1,328 1,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 42.5,338 138,339 4.715,340 3.523,341 7.014,342 4.314,343 3.331,344 4.65,345 0.68,346 11.938,347 3.273,348 4.175,349 3.162,350 6.419,351 3.878,352 2.892,353 3.631,355 9.825,356 2.848,357 3.785,358 2.781,359 5.529,360 3.398,361 2.41,362 3.083,364 7.359,365 2.38,366 3.552,367 2.488,368 5.39,369 3.192,370 2.221,371 2.966,373 6.845,374 2.159,375 3.199,376 2.286,377 5.008,378 2.912,379 1.944,380 2.409,382 5.687,383 1.872,384 3.001,385 2.001,386 4.807,387 2.729,388 1.746,389 2.081,391 4.928,392 1.716,393 2.901,394 1.876,395 4.656,396 2.626,397 1.655,398 1.933,400 4.785,401 1.594,402 2.583,403 1.263,404 3.835,405 2.167,406 1.189,407 1.603,409 2.808,410 1.157,411 1.424,412 0.592,413 3.29,414 1.174,415 0.192,416 0.22,418 0.579,419 0.187,420 1.346,421 0.29,422 3.027,423 0.951,429 1.002,430 0.104,431 2.682,432 0.651,433 -0.267,434 -0.317,436 -0.641,437 -0.235,438 0.813,439 0.009,440 2.49,441 0.604,442 -0.38,443 -0.4,445 -0.978,446 -0.376,447 0.633,448 -0.48,449 2.338,450 0.394,451 -0.581,452 -0.74,454 -1.568,455 -0.566,456 0.338,457 -0.601,458 2.194,459 0.086,460 -0.905,461 -1.005,463 -2.659,464 -0.895,465 0.127,466 -0.909,467 1.916,468 -0.137,469 -1.114,470 -1.384,472 -3.143,473 -1.076,474 9.586,475 0.479,476 0.627,477 0.031,478 24,479 1.2,480 11.5,481 0.575,482 12.5,483 0.625,484 17.812,485 0.891,486 21.014,487 0.568,488 14.854,489 0.743,490 4.246,491 0.212,492 5.385,493 0.269,494 0.124,496 0.469,499 1,501 0.615,502 0.888,503 0.78,504 0.895,505 0.622,506 0.866,507 0.527,508 0.979,509 0.748,510 0.991,511 0.481,512 0.925,513 0.799,514 1.121,515 0.96,516 1.123,517 0.759,518 1.078,519 0.728,520 0.971,521 0.887,522 1.003,523 0.692,524 0.978,525 1.271,526 0.976,527 1.302,528 1.044,529 1.223,530 1.134,531 0.733,532 0.901,533 0.793,534 0.906,535 0.784,536 0.873,537 2.206,538 1.223,539 1.534,540 1.082,541 2.306,542 1.177,543 0.903,544 0.955,545 0.816,546 0.926,547 0.912,548 0.883,549 4.5,551 2,552 2.438,553 1.582,554 0.91,555 0.263,556 0.224,557 0.057,558 0.016,559 3445,560 7799,561 2.163,562 45.9,563 9,564 4,567 2,568 2,572 1.625,573 2,574 2.798,575 0.262,577 1,579 1,582 51.776,583 1.399,584 3.674,585 4.574,586 4.865,587 4.865,588 4.865,589 2.243,590 3.722,591 4.299,592 2.863,593 543.995,594 7.377,595 5208.16,596 1,597 1,598 1,599 1,600 192.75,601 1.458,602 4.245,603 0.196,605 0.057,606 0.064,607 0.047,608 0.04,609 0.014,610 0.02,611 0.01,612 0.016,613 0.462,614 0.83,615 1,616 0.627,617 84.827,618 -0.046,619 0.088,620 0.038,621 0.113,622 -0.051,623 0.097,624 0.035,625 -0.062,626 0.106,627 0.02,628 0.062,629 0.062,630 -0.02,631 -0.171,632 -0.051,633 -0.145,634 -0.016,635 -0.113,636 0.198,637 -0.031,638 0.086,639 -0.056,640 0.2,641 -0.02,642 -0.212,643 0.014,644 -0.319,645 -0.123,646 -0.192,647 -0.207,648 0.067,649 -0.064,650 0.207,651 0.075,652 0.038,653 0.143,654 -0.345,655 0.085,656 -0.442,657 -0.109,658 -0.366,659 -0.247,660 0.083,661 -0.081,662 0.236,663 0.073,664 0.116,665 0.154,666 1.93,667 6.084,668 0.85,669 10.32,670 0.994,671 1.126,672 3.526,673 12.431,674 0.677,675 3.178,676 3.584,677 3.932,678 4.317,679 4.605,680 4.804,681 4.949,682 5.153,683 5.182,684 5.257,685 4.175,686 0.639,687 268.36,688 3.178,689 4.762,690 5.659,691 6.592,692 7.503,693 8.441,694 9.357,695 10.298,696 11.216,697 12.158,698 5.4,702 1,708 1,714 2,715 3,716 1,720 4,722 11,733 1,740 1,741 37,743 12,744 1,745 23,747 40,748 17,749 9,750 3,751 3,756 4,757 10,763 1,767 3,768 2,770 3,772 11,773 6,774 2,777 1,784 1,786 1,789 1,790 1,791 1,793 17,794 3,795 2,796 3,802 2,808 0.25,822 1,829 4,831 1,833 2,835 1,849 1,850 1,859 1,864 1,866 1,868 20,869 1,876 3,880 2,892 1,901 10,902 6.926,903 4.167,904 2.365,907 2.756,908 1.37,909 1.049,910 2.489,911 10.212,912 3.418,913 4.103,914 4.747,915 5.408,916 6.008,917 6.435,918 6.854,919 7.304,920 7.673,921 7.853,922 0.8,923 38,924 7.471,926 3.393,927 0.026,929 7.692,931 14.57,933 13.123,936 2.192,937 43.833,938 0.001,941 176.567,942 80.057,943 49.683,946 14.96,948 80.057,949 176.567,950 64.643,951 8.825,952 7.604,953 70.802,954 16.786,955 25.723,956 14.96,957 176.567,959 176.567,960 129.739,961 14.96,964 191.527,968 21.33,969 82.148,970 26.262,972 191.527,973 49.683,974 80.057,977 176.567,978 33.326,979 46.73,981 64.643,982 176.567,983 64.643,984 80.057,986 0.603,987 0.363,988 0.216,989 0.118,990 21,991 9,994 4,995 1.412,996 3.123,997 171.264,998 0.471,999 16,1000 86.439,1005 12.047,1006 4.131,1007 1.736,1008 1.179,1009 64.643,1010 5.009,1011 4.696,1015 2.527,1017 32.897,1018 321.266,1019 29.5,1026 2.368,1028 1.421,1031 36.785,1032 41.658,1034 0.269,1035 0.705,1036 0.878,1037 0.934,1038 0.934,1039 0.934,1040 4.707,1041 1.189,1042 5.687,1043 4.785,1044 4.263,1045 4.787,1046 0.655,1047 6.586,1048 4.223,1049 5.951,1050 0.192,1051 7.296,1052 2.808,1053 4.007,1054 4.783,1056 7.612,1057 3.94,1058 7.297,1060 9.003,1061 0.579,1062 5.938,1063 7.081,1064 0.356,1065 10.786,1066 5.866,1067 8.675,1068 -0.267,1069 10.766,1071 6.447,1072 7.885,1074 12.636,1075 6.349,1076 10.084,1077 -0.38,1078 12.566,1079 -0.641,1080 7.905,1081 9.712,1082 0.18,1083 15.346,1084 7.803,1085 11.516,1086 -0.581,1087 14.392,1088 -0.978,1089 8.783,1090 10.907,1092 17.556,1093 8.656,1094 12.969,1095 -0.905,1096 16.24,1097 -1.568,1098 10.061,1099 12.55,1100 0.087,1101 20.105,1102 9.924,1103 3.331,1104 -1.114,1105 18.104,1106 -2.659,1107 11.111,1108 13.931,1110 22.466,1111 10.952,1112 2.892,1113 11.938,1114 19.982,1115 -3.143,1116 12.323,1117 15.503,1118 0.041,1119 24.959,1120 12.151,1121 2.41,1122 9.825,1123 21.87,1124 4.65,1125 13.451,1126 16.969,1128 27.383,1129 13.258,1130 2.221,1131 7.359,1132 23.767,1133 3.631,1134 14.642,1135 18.515,1136 0.019,1137 29.86,1138 14.435,1139 1.944,1140 6.845,1141 25.672,1142 3.083,1143 15.805,1144 20.018,1146 32.311,1147 15.578,1148 1.746,1149 5.687,1150 27.583,1151 2.966,1152 16.993,1153 21.556,1154 0.009,1155 34.784,1156 16.749,1157 1.655,1158 4.928,1159 29.499,1160 2.409,1161 18.171,1162 23.077,1164 37.248,1165 17.909,1166 3269,1167 5019,1168 15.433,1169 25.04,1170 35.713,1171 35.91,1172 37.109,1173 35.249,1174 35.159,1175 45.154,1176 1.36,1177 109.506,1178 34.371,1179 5.668,1180 5.523,1181 6.549,1182 5.356,1183 5.331,1184 7.65,1185 1.36,1186 19.539,1187 5.273,1188 8.913,1189 1.553,1190 1.561,1191 1.613,1192 1.533,1193 1.529,1194 1.963,1195 0.059,1196 4.761,1197 1.494,1198 4.137,1199 4.166,1200 4.102,1201 4.066,1202 8.201,1203 4.07,1204 3.875,1205 3.911,1206 3.795,1207 3.805,1208 5.124,1209 3.798,1210 3.47,1211 3.52,1212 3.38,1213 3.374,1214 4.755,1215 3.369,1216 3.27,1217 3.346,1218 3.136,1219 3.131,1220 4.484,1221 3.12,1222 3.14,1223 3.22,1224 2.993,1225 2.981,1226 4.23,1227 2.969,1228 3.008,1229 3.085,1230 2.879,1231 2.826,1232 3.803,1233 2.835,1234 2.769,1235 2.87,1236 2.604,1237 2.589,1238 3.597,1239 2.573,1240 2.669,1241 2.784,1242 2.517,1243 2.434,1244 3.395,1245 2.419,1246 0.205,1247 0.153,1248 0.305,1249 0.188,1250 0.145,1251 4.715,1252 0.202,1253 3.523,1254 0.03,1255 7.014,1256 0.519,1257 4.314,1258 0.142,1259 3.331,1260 4.65,1261 0.68,1262 11.938,1263 3.273,1264 2.093,1265 2.069,1266 2.185,1267 2.183,1268 1.532,1269 2.184,1270 1.879,1271 1.847,1272 2.002,1273 1.976,1274 1.161,1275 1.989,1276 1.472,1277 1.427,1278 1.698,1279 1.617,1280 0.918,1281 1.645,1282 1.272,1283 1.21,1284 1.506,1285 1.473,1286 0.772,1287 1.489,1288 1.151,1289 1.075,1290 1.453,1291 1.362,1292 0.594,1293 1.4,1294 0.951,1295 0.891,1296 1.208,1297 1.211,1298 0.383,1299 1.211,1300 0.747,1301 0.674,1302 1.138,1303 1.014,1304 0.208,1305 1.06,1306 0.713,1307 0.597,1308 1.042,1309 0.996,1310 0.119,1311 1.014,1312 3.85,1314 5.231,1316 6.828,1318 8.534,1320 10.296,1322 2.176,1324 14.084,1326 6.322,1328 3.075,1332 0.976,1340 23.641,1341 51.776,1342 135.941,1343 169.24,1344 179.995,1345 179.995,1346 179.995,1347 31.771,1348 7.456,1349 38.91,1350 38.91,1351 24,1352 12.656,1353 3.7,1354 2.907,1355 25.962,1356 52,1357 46,1358 0.268,1359 141.489,1360 243.65,1361 336.993,1362 15557,1363 2.7,1364 13.853,1365 0.693,1366 0.574,1367 12.983,1368 11.488,1369 9.631,1370 0.419,1371 0.312,1372 7.12,1373 9.425,1374 6.917,1375 5.688,1376 9.22,1377 7.17,1378 9.352,1379 0.267,1380 0.175,1381 8.815,1382 6.134,1383 8.057,1384 0.161,1385 0.093,1386 7.657,1387 4.657,1388 7.811,1389 0.106,1390 0.054,1391 7.287,1392 3.966,1393 6.169,1394 0.062,1395 0.029,1396 6.019,1397 2.891,1398 0.392,1399 59.349,1400 0.255,1401 18.998,1402 0.83,1403 116,1404 305.068,1405 122.912,1406 280.003,1407 387.85,1408 262,1409 143,1410 291.995,1411 149.989,1412 294.909,1413 439.03,1414 279,1415 7.451}
{0 CHEMBL110077,1 1.399,2 7.3,3 3.586,4 12.856,5 79.249,6 7.253,7 0.478,8 3.72,9 3.843,10 3.279,11 3.346,12 4.768,13 3.306,14 4.294,15 4.46,16 3.709,17 3.811,18 5.29,19 3.749,20 4.628,21 4.829,22 3.818,23 4.002,24 5.608,25 3.91,26 4.719,27 4.972,28 3.721,29 3.942,30 5.677,31 3.82,32 4.601,33 4.859,34 3.444,35 3.793,36 5.513,37 3.65,38 4.489,39 4.79,40 3.257,41 3.586,42 5.397,43 3.415,44 4.16,45 4.428,46 2.832,47 3.25,48 5.158,49 3.093,50 3.846,51 4.163,52 2.457,53 2.769,54 4.818,55 2.596,56 0.028,57 0.598,58 7.71,59 3.617,60 6.335,61 4.732,62 0.041,63 1.024,64 14.622,65 6.733,66 12.036,67 8.974,68 0.132,69 1.395,70 21.75,71 9.019,72 26.264,73 12.112,74 0.267,75 1.436,76 25.418,77 9.536,78 41.287,79 13.544,80 0.206,81 1.244,82 22.601,83 8.029,84 31.998,85 11.467,86 0.201,87 1.072,88 21.401,89 8.283,90 38.398,91 11.828,92 0.202,93 0.863,94 15.417,95 5.539,96 38.648,97 7.123,98 0.117,99 0.61,100 11.917,101 4.454,102 22.911,103 5.797,104 10,105 35,106 0.253,107 0.663,108 0.826,109 0.878,110 0.878,111 0.878,112 3.061,113 0.934,114 -4.76,115 -4.67,116 -4.39,121 45.9,122 1,123 3,124 2,137 1,138 1,144 3,145 2,146 2,148 2,165 1,166 1,167 1,176 11,180 4,185 2,187 17,189 2,192 3,197 2,200 12,203 2,206 4,208 1,209 1,211 5,214 12,216 5,219 1,224 2,227 8,229 2,232 1,237 2,239 10,241 2,251 5,264 3,281 364,282 13.411,283 13.411,284 13.411,285 13.411,286 13.411,287 11.787,288 13.507,289 7.587,290 13.539,291 11.383,292 11.383,293 11.383,294 11.383,295 11.383,296 8.897,297 11.808,298 3.662,299 11.627,300 3.81,301 1.535,302 0.635,303 0.345,304 0.345,305 0.345,306 3.759,310 1,311 1,312 1,313 327,314 2.121,318 122.588,320 41.242,322 99.424,324 60.137,325 1.23,326 20.087,327 1,328 1,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 42.5,338 146,339 4.673,340 3.492,341 6.939,342 4.287,343 3.302,344 4.585,345 0.68,346 11.686,347 3.254,348 4.143,349 3.05,350 6.232,351 3.826,352 2.836,353 3.62,355 9.285,356 2.806,357 3.805,358 2.832,359 5.533,360 3.413,361 2.433,362 3.122,364 7.367,365 2.385,366 3.543,367 2.52,368 5.363,369 3.179,370 2.201,371 2.908,373 6.745,374 2.152,375 3.398,376 2.452,377 5.096,378 3.036,379 2.081,380 2.716,382 6.046,383 1.971,384 3.009,385 2.065,386 4.801,387 2.813,388 1.837,389 2.045,391 5.249,392 1.788,393 2.87,394 1.797,395 4.657,396 2.607,397 1.626,398 1.902,400 4.78,401 1.588,402 2.49,403 1.206,404 3.953,405 2.079,406 1.096,407 1.485,409 2.875,410 1.074,411 1.431,412 0.548,413 3.306,414 1.166,415 0.182,416 0.21,418 0.534,419 0.178,420 1.339,421 0.27,422 3,423 0.95,429 1.03,430 0.118,431 2.668,432 0.692,433 -0.245,434 -0.293,436 -0.613,437 -0.222,438 0.687,439 0.009,440 2.491,441 0.586,442 -0.399,443 -0.418,445 -1.016,446 -0.393,447 0.623,448 -0.526,449 2.343,450 0.272,451 -0.688,452 -0.856,454 -1.966,455 -0.655,456 0.352,457 -0.605,458 2.194,459 0.082,460 -0.912,461 -1.011,463 -2.74,464 -0.905,465 0.156,466 -0.921,467 1.916,468 -0.15,469 -1.123,470 -1.48,472 -3.102,473 -1.055,474 9.586,475 0.479,476 0.644,477 0.032,478 24,479 1.2,480 11.5,481 0.575,482 12.5,483 0.625,484 17.673,485 0.884,486 21.014,487 0.568,488 14.74,489 0.737,490 4.23,491 0.212,492 5.384,493 0.269,494 0.124,496 0.469,499 1,501 0.615,502 0.888,503 0.78,504 0.895,505 0.624,506 0.866,507 0.527,508 0.979,509 0.748,510 0.991,511 0.458,512 0.925,513 0.832,514 1.081,515 1.014,516 1.119,517 0.783,518 1.1,519 0.606,520 0.889,521 0.914,522 0.998,523 0.577,524 1.001,525 0.819,526 0.874,527 1.165,528 1.043,529 0.741,530 1.117,531 0.467,532 0.802,533 0.733,534 0.903,535 0.484,536 0.875,537 1.728,538 1.116,539 1.389,540 1.081,541 1.822,542 1.159,543 1.471,544 1.187,545 0.892,546 0.936,547 1.581,548 0.861,549 5,551 2,552 2.188,553 1.622,554 0.819,555 0.322,556 0.252,557 0.07,558 0.051,559 3521,560 8183,561 2.163,562 45.9,563 9,564 4,567 2,568 2,572 1.623,573 2,574 2.862,575 0.262,577 1,579 1,582 51.776,583 1.399,584 3.674,585 4.574,586 4.865,587 4.865,588 4.865,589 2.461,590 3.546,591 4.297,592 2.934,593 557.498,594 7.366,595 5317.92,596 1,597 1,598 1,599 1,600 192.75,601 1.458,602 4.245,603 0.217,605 0.057,606 0.059,607 0.051,608 0.036,609 0.017,610 0.023,611 0.01,612 0.026,613 0.495,614 0.83,615 1,616 0.627,617 85.244,618 -0.046,619 0.088,620 0.038,621 0.113,622 -0.053,623 0.097,624 0.035,625 -0.062,626 0.106,627 0.02,628 0.085,629 0.062,630 -0.054,631 -0.129,632 -0.108,633 -0.14,634 -0.041,635 -0.135,636 0.106,637 -0.038,638 0.033,639 -0.055,640 0.084,641 -0.033,642 -0.117,643 -0.036,644 -0.221,645 -0.129,646 -0.094,647 -0.173,648 0.206,649 -0.017,650 0.254,651 0.075,652 0.202,653 0.148,654 -0.244,655 0.032,656 -0.338,657 -0.115,658 -0.291,659 -0.21,660 0.023,661 -0.101,662 0.22,663 0.072,664 -0.009,665 0.153,666 1.92,667 5.392,668 0.85,669 10.84,670 0.994,671 1.126,672 3.526,673 12.431,674 0.677,675 3.178,676 3.584,677 3.912,678 4.29,679 4.605,680 4.804,681 4.942,682 5.153,683 5.182,684 5.257,685 4.302,686 0.639,687 268.36,688 3.178,689 4.762,690 5.652,691 6.581,692 7.487,693 8.421,694 9.334,695 10.27,696 11.185,697 12.123,698 5.4,702 1,708 1,714 2,715 3,716 1,720 4,722 11,733 1,740 1,741 37,743 12,744 1,745 23,747 40,748 17,749 9,750 3,751 3,756 4,757 10,763 1,767 3,768 2,770 3,772 11,773 6,774 2,777 1,784 1,786 1,789 1,790 1,791 1,793 17,794 3,795 2,796 3,802 2,808 0.25,822 1,829 4,831 1,833 2,835 1,849 1,850 1,859 1,864 1,866 1,868 20,869 1,876 3,880 2,892 1,901 10,902 6.926,903 4.139,904 2.358,907 2.745,908 1.368,909 1.049,910 2.489,911 10.201,912 3.418,913 4.103,914 4.727,915 5.382,916 6.012,917 6.445,918 6.857,919 7.325,920 7.675,921 7.84,922 1,923 37,924 7.453,926 3.366,927 0.026,929 7.692,931 14.57,933 13.118,936 2.192,937 43.833,938 0.001,941 176.567,942 80.057,943 49.683,946 14.96,948 80.057,949 176.567,950 64.643,951 8.825,952 7.604,953 70.802,954 16.786,955 25.723,956 14.96,957 176.567,959 176.567,960 129.739,961 14.96,964 191.527,968 21.33,969 82.148,970 26.262,972 191.527,973 49.683,974 80.057,977 176.567,978 33.326,979 46.73,981 64.643,982 176.567,983 64.643,984 80.057,986 0.604,987 0.355,988 0.208,989 0.12,990 21,991 9,994 4,995 1.412,996 3.147,997 169.942,998 0.471,999 16,1000 86.439,1005 12.047,1006 4.131,1007 1.81,1008 1.567,1009 64.643,1010 4.701,1011 4.696,1015 2.845,1017 32.897,1018 321.266,1019 29.5,1026 2.368,1028 1.454,1031 36.785,1032 41.658,1034 0.269,1035 0.705,1036 0.878,1037 0.934,1038 0.934,1039 0.934,1040 4.707,1041 1.096,1042 5.68,1043 4.78,1044 4.263,1045 4.787,1046 0.655,1047 6.564,1048 4.223,1049 5.951,1050 0.182,1051 7.28,1052 2.875,1053 4.007,1054 4.783,1056 7.545,1057 3.94,1058 7.294,1060 8.974,1061 0.534,1062 5.927,1063 7.07,1064 0.356,1065 10.703,1066 5.858,1067 8.666,1068 -0.245,1069 10.721,1071 6.415,1072 7.846,1074 12.497,1075 6.324,1076 10.068,1077 -0.399,1078 12.504,1079 -0.613,1080 7.869,1081 9.67,1082 0.18,1083 15.199,1084 7.776,1085 11.491,1086 -0.688,1087 14.314,1088 -1.016,1089 8.721,1090 10.83,1092 17.365,1093 8.61,1094 12.932,1095 -0.912,1096 16.144,1097 -1.966,1098 9.994,1099 12.468,1100 0.087,1101 19.904,1102 9.877,1103 3.302,1104 -1.123,1105 17.991,1106 -2.74,1107 11.024,1108 13.819,1110 22.234,1111 10.89,1112 2.836,1113 11.686,1114 19.851,1115 -3.102,1116 12.229,1117 15.382,1118 0.041,1119 24.714,1120 12.086,1121 2.433,1122 9.285,1123 21.724,1124 4.585,1125 13.341,1126 16.824,1128 27.115,1129 13.183,1130 2.201,1131 7.367,1132 23.606,1133 3.62,1134 14.525,1135 18.358,1136 0.019,1137 29.575,1138 14.355,1139 2.081,1140 6.745,1141 25.497,1142 3.122,1143 15.676,1144 19.842,1146 32.006,1147 15.49,1148 1.837,1149 6.046,1150 27.394,1151 2.908,1152 16.856,1153 21.367,1154 0.009,1155 34.462,1156 16.657,1157 1.626,1158 5.249,1159 29.297,1160 2.716,1161 18.025,1162 22.87,1164 36.906,1165 17.811,1166 3338,1167 5194,1168 15.433,1169 25.04,1170 35.747,1171 35.847,1172 36.981,1173 35.283,1174 35.189,1175 45.184,1176 1.36,1177 109.137,1178 34.393,1179 5.626,1180 5.492,1181 6.224,1182 5.33,1183 5.302,1184 7.585,1185 1.36,1186 19.262,1187 5.254,1188 9.098,1189 1.554,1190 1.559,1191 1.608,1192 1.534,1193 1.53,1194 1.965,1195 0.059,1196 4.745,1197 1.495,1198 4.136,1199 4.165,1200 4.097,1201 4.066,1202 8.201,1203 4.069,1204 3.875,1205 3.911,1206 3.795,1207 3.805,1208 5.135,1209 3.798,1210 3.477,1211 3.525,1212 3.403,1213 3.374,1214 4.739,1215 3.372,1216 3.275,1217 3.35,1218 3.141,1219 3.131,1220 4.476,1221 3.122,1222 3.14,1223 3.22,1224 2.984,1225 2.981,1226 4.204,1227 2.97,1228 2.989,1229 3.074,1230 2.847,1231 2.828,1232 3.829,1233 2.825,1234 2.746,1235 2.852,1236 2.591,1237 2.589,1238 3.588,1239 2.575,1240 2.696,1241 2.784,1242 2.545,1243 2.434,1244 3.488,1245 2.42,1246 0.203,1247 0.152,1248 0.302,1249 0.186,1250 0.144,1251 4.673,1252 0.199,1253 3.492,1254 0.03,1255 6.939,1256 0.508,1257 4.287,1258 0.141,1259 3.302,1260 4.585,1261 0.68,1262 11.686,1263 3.254,1264 2.094,1265 2.069,1266 2.187,1267 2.183,1268 1.532,1269 2.185,1270 1.879,1271 1.847,1272 2.003,1273 1.976,1274 1.164,1275 1.989,1276 1.468,1277 1.424,1278 1.694,1279 1.618,1280 0.918,1281 1.642,1282 1.267,1283 1.207,1284 1.498,1285 1.474,1286 0.769,1287 1.483,1288 1.149,1289 1.074,1290 1.432,1291 1.362,1292 0.578,1293 1.398,1294 0.967,1295 0.901,1296 1.224,1297 1.209,1298 0.373,1299 1.22,1300 0.753,1301 0.674,1302 1.155,1303 1.01,1304 0.216,1305 1.063,1306 0.712,1307 0.597,1308 1.085,1309 0.996,1310 0.163,1311 1.035,1312 3.85,1314 5.231,1316 6.821,1318 8.518,1320 10.271,1322 2.199,1324 13.392,1326 6.389,1328 3.171,1332 1.051,1340 23.641,1341 51.776,1342 135.941,1343 169.24,1344 179.995,1345 179.995,1346 179.995,1347 29.942,1348 7.456,1349 38.91,1350 38.91,1351 24,1352 12.624,1353 3.7,1354 2.907,1355 26.016,1356 54,1357 50,1358 0.261,1359 141.489,1360 243.65,1361 336.993,1362 15563,1363 2.7,1364 13.853,1365 0.693,1366 0.574,1367 12.983,1368 11.488,1369 9.614,1370 0.418,1371 0.311,1372 7.114,1373 9.401,1374 6.909,1375 5.679,1376 9.22,1377 7.164,1378 9.448,1379 0.27,1380 0.176,1381 8.815,1382 6.161,1383 7.993,1384 0.163,1385 0.095,1386 7.657,1387 4.646,1388 7.551,1389 0.105,1390 0.055,1391 7.287,1392 3.929,1393 6.224,1394 0.063,1395 0.029,1396 6.019,1397 2.904,1398 0.384,1399 59.248,1400 0.255,1401 19.105,1402 0.797,1403 116,1404 305.068,1405 122.912,1406 280.14,1407 387.23,1408 262,1409 142,1410 290.995,1411 148.407,1412 294.045,1413 435.39,1414 278,1415 8.339}
{0 CHEMBL1127,1 1.46,2 6.125,3 1.688,4 2.85,5 63.253,6 7.143,7 0.611,8 3.515,9 3.636,10 3.048,11 3.099,12 4.595,13 3.067,14 4.042,15 4.199,16 3.431,17 3.524,18 5.05,19 3.467,20 4.359,21 4.569,22 3.514,23 3.65,24 5.373,25 3.572,26 4.346,27 4.584,28 3.336,29 3.539,30 5.395,31 3.43,32 4.204,33 4.471,34 2.977,35 3.352,36 5.116,37 3.204,38 3.988,39 4.266,40 2.631,41 3.075,42 4.924,43 2.882,44 3.708,45 4.007,46 2.044,47 2.617,48 4.605,49 2.396,50 3.133,51 3.483,52 1.175,53 1.848,54 3.929,55 1.576,56 0.043,57 0.435,58 6.53,59 2.793,60 9.454,61 3.699,62 0.046,63 0.714,64 11.537,65 4.989,66 9.953,67 6.762,68 0.151,69 0.929,70 17.237,71 6.263,72 24.81,73 8.756,74 0.238,75 0.915,76 17.455,77 5.849,78 33.771,79 8.508,80 0.155,81 0.768,82 15.391,83 5.163,84 24.412,85 7.633,86 0.129,87 0.56,88 12.555,89 4.827,90 26.115,91 6.941,92 0.112,93 0.381,94 9.984,95 3.512,96 22.601,97 4.939,98 0.075,99 0.19,100 5.891,101 1.933,102 13.891,103 2.795,104 5,105 26,106 0.279,107 0.686,108 0.798,109 0.875,110 0.887,111 0.887,112 2.857,113 0.933,114 -2.6,115 -2.62,116 -2.56,121 43.3,123 3,129 1,144 4,145 2,146 1,148 2,165 1,166 1,167 1,176 6,180 4,185 4,187 8,189 2,192 3,197 3,200 5,203 2,206 2,208 1,209 2,211 5,214 6,216 4,224 1,227 6,229 1,236 1,237 2,238 1,239 4,249 2,251 1,261 1,281 166,282 10.861,283 10.861,284 10.861,285 10.861,286 10.861,287 9.522,288 7.71,289 6.32,290 10.967,291 8.883,292 8.883,293 8.883,294 8.883,295 8.883,296 6.861,297 5.563,298 3.004,299 9.086,300 3.447,301 1.322,302 0.733,303 0.333,304 0.267,305 0.267,306 3.532,311 1,312 1,313 215,314 1.732,318 78.746,322 87.143,325 0.906,326 14.783,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 34,338 98,339 4.628,340 3.353,341 6.773,342 4.194,343 3.213,344 4.555,346 11.057,347 3.151,348 3.939,349 2.774,350 6.003,351 3.593,352 2.609,353 3.444,355 8.475,356 2.567,357 3.5,358 2.394,359 5.335,360 3.157,361 2.193,362 2.864,364 6.553,365 2.107,366 3.156,367 2.135,368 4.89,369 2.901,370 1.95,371 2.237,373 5.528,374 1.848,375 2.907,376 1.541,377 4.119,378 2.429,379 1.435,380 2.075,382 3.383,383 1.425,384 2.568,385 1.405,386 3.708,387 2.249,388 1.256,389 1.59,391 3.067,392 1.247,393 2.04,394 0.978,395 3.484,396 1.822,397 0.844,398 0.985,400 2.019,401 0.823,402 1.342,403 0.197,404 2.911,405 0.95,411 1.034,412 0.121,413 2.543,414 0.755,415 -0.193,416 -0.217,418 -0.462,419 -0.181,420 0.609,421 -0.507,422 2.342,423 0.326,424 -0.632,425 -0.779,427 -1.622,428 -0.602,429 0.556,430 -0.823,431 2,432 0.123,433 -0.867,434 -1.208,436 -2.12,437 -0.857,438 0.116,439 -0.856,440 1.835,441 -0.165,442 -1.134,443 -1.249,445 -3.083,446 -1.084,447 -0.102,448 -1.138,449 1.518,450 -0.339,451 -1.279,452 -1.618,454 -3.589,455 -1.222,456 -0.235,457 -1.405,458 1.333,459 -0.597,460 -1.565,461 -1.918,463 -4.413,464 -1.518,465 -0.5,466 -1.734,467 1.154,468 -0.858,469 -1.831,470 -2.2,472 -5.447,473 -1.756,474 7.633,475 0.477,476 0.418,477 0.026,478 20.5,479 1.281,480 10.5,481 0.656,482 10,483 0.625,484 11.297,485 0.706,486 16.967,487 0.566,488 11.834,489 0.74,490 3.807,491 0.238,492 3.947,493 0.247,494 0.096,496 0.393,501 1.029,502 0.987,503 0.864,504 0.87,505 1.1,506 0.847,507 0.76,508 1.201,509 0.85,510 1.083,511 0.754,512 0.999,513 1.183,514 1.152,515 0.977,516 0.996,517 1.123,518 0.97,519 1.005,520 1.077,521 1.106,522 1.035,523 0.967,524 1.067,525 0.984,526 0.928,527 1.172,528 1.012,529 0.952,530 1.076,531 0.556,532 0.961,533 0.985,534 1.148,535 0.613,536 1.129,537 1.327,538 0.854,539 1.072,540 1.016,541 1.393,542 1.031,543 1.318,544 0.604,545 0.821,546 0.715,547 1.37,548 0.73,549 3,551 2,552 1.375,553 1.271,554 0.375,555 0.2,556 0.047,557 0.02,559 1846,560 4395,561 2.135,562 46.7,563 2,564 5,567 3,568 2,569 2,572 1.557,573 2,574 2.657,575 1.189,577 1,578 1,579 1,582 43.798,583 1.46,584 3.585,585 4.174,586 4.574,587 4.64,588 4.64,589 2.149,590 2.906,591 3.977,592 2.676,593 321.104,594 6.719,595 2654.04,597 1,599 1,600 147.207,601 1.406,602 3.933,603 0.167,605 0.077,606 0.051,607 0.061,608 0.027,609 0.022,610 0.012,611 0.02,613 0.436,614 1,615 1,616 0.625,617 62.136,618 -0.152,619 0.159,620 0.008,621 0.166,622 -0.191,623 0.118,624 -0.01,625 -0.142,626 0.034,627 -0.048,628 -0.025,629 -0.012,630 -0.113,631 -0.14,632 -0.02,633 -0.028,634 -0.099,635 -0.019,636 0.018,637 -0.044,638 -0.135,639 -0.113,640 0.004,641 -0.14,642 -0.155,643 0.075,644 -0.205,645 -0.088,646 -0.143,647 -0.131,648 0.207,649 -0.098,650 -0.016,651 -0.165,652 0.216,653 -0.124,654 -0.076,655 -0.072,656 -0.032,657 -0.057,658 -0.057,659 -0.044,660 0.005,661 0.086,662 0.278,663 0.225,664 0.017,665 0.272,666 1.597,667 3.638,668 0.875,669 7.625,670 0.994,671 1.123,672 1.373,673 1.884,674 0.668,675 2.944,676 3.296,677 3.611,678 3.912,679 4.19,680 4.248,681 4.29,682 4.369,683 4.357,684 4.025,685 3.691,686 0.631,687 214.29,688 2.944,689 4.489,690 5.361,691 6.26,692 7.151,693 8.055,694 8.952,695 9.859,696 10.758,697 11.666,698 6.7,702 1,708 1,714 2,715 4,716 1,720 3,722 11,733 1,741 30,743 11,744 1,745 18,747 32,748 13,749 9,750 2,751 4,756 3,757 6,767 4,770 4,772 9,773 4,790 1,793 14,794 3,795 3,796 3,802 2,808 0.333,809 1,811 1,822 1,829 3,833 2,857 1,859 1,868 16,869 1,875 1,876 3,880 1,893 3.3,894 1,901 8,902 5.15,903 3.444,904 1.833,907 2.412,908 1.371,909 0.981,910 2.163,911 8.918,912 3.199,913 3.861,914 4.516,915 5.158,916 5.777,917 6.105,918 6.46,919 6.81,920 7.094,921 6.816,922 1,923 27,924 5.929,926 2.605,927 0.026,929 7.698,931 11.503,933 9.977,936 2.198,937 35.167,938 0.004,941 129.482,942 58.925,943 49.683,945 42.683,948 58.925,949 172.165,950 49.683,952 7.604,953 113.486,954 16.786,955 13.416,957 129.482,959 129.482,960 108.607,961 42.683,964 105.94,965 23.542,966 42.683,968 12.504,969 79.317,970 16.786,972 129.482,973 92.366,974 58.925,977 129.482,978 21.02,979 37.905,981 92.366,982 129.482,983 92.366,984 58.925,986 0.589,987 0.354,988 0.2,989 0.114,990 15,991 6,994 2,995 1.286,996 2.804,997 116.871,998 0.286,999 14,1000 64,1005 9.761,1006 3.546,1007 1.526,1008 1.95,1009 92.366,1010 7.904,1011 4.587,1015 2.937,1017 75.581,1018 280.773,1019 23.5,1031 29.833,1032 33.697,1034 0.298,1035 0.731,1036 0.851,1037 0.932,1038 0.946,1039 0.946,1040 4.44,1042 5.361,1043 2.019,1044 3.97,1045 4.543,1047 6.213,1048 3.924,1049 5.663,1050 -0.193,1051 6.944,1053 3.611,1054 4.477,1056 7.177,1057 3.526,1058 6.992,1059 -0.632,1060 8.629,1061 -0.462,1062 5.595,1063 6.85,1065 10.32,1066 5.509,1067 8.359,1068 -0.867,1069 10.374,1070 -1.622,1071 6.043,1072 7.627,1074 12.104,1075 5.924,1076 9.762,1077 -1.134,1078 12.157,1079 -2.12,1080 7.521,1081 9.496,1083 14.776,1084 7.4,1085 11.19,1086 -1.279,1087 13.967,1088 -3.083,1089 8.353,1090 10.669,1092 16.904,1093 8.205,1094 12.638,1095 -1.565,1096 15.796,1097 -3.589,1098 9.63,1099 12.33,1101 19.409,1102 9.473,1103 3.213,1104 -1.831,1105 17.64,1106 -4.413,1107 10.642,1108 13.689,1110 21.687,1111 10.462,1112 2.609,1113 11.057,1114 19.494,1115 -5.447,1116 11.841,1117 15.263,1119 24.128,1120 11.648,1121 2.193,1122 8.475,1123 21.358,1124 4.555,1125 12.936,1126 16.708,1128 26.472,1129 12.721,1130 1.95,1131 6.553,1132 23.23,1133 3.444,1134 14.108,1135 18.247,1137 28.89,1138 13.876,1139 1.435,1140 5.528,1141 25.107,1142 2.864,1143 15.24,1144 19.73,1146 31.264,1147 14.988,1148 1.256,1149 3.383,1150 26.99,1151 2.237,1152 16.403,1153 21.254,1155 33.672,1156 16.133,1157 0.844,1158 3.067,1159 28.876,1160 2.075,1161 17.552,1162 22.755,1164 36.061,1165 17.262,1166 1818,1167 2854,1168 12.137,1169 20.034,1170 27.271,1171 27.226,1172 28.226,1173 27.078,1174 27.001,1175 35.503,1177 80.164,1178 26.336,1179 5.573,1180 5.353,1181 6.454,1182 5.235,1183 5.213,1184 7.555,1186 18.595,1187 5.151,1188 6.216,1189 1.515,1190 1.513,1191 1.568,1192 1.504,1193 1.5,1194 1.972,1196 4.454,1197 1.463,1198 4.106,1199 4.135,1200 4.067,1201 4.034,1202 6.449,1203 4.038,1204 3.741,1205 3.782,1206 3.637,1207 3.648,1208 5.142,1209 3.64,1210 3.321,1211 3.38,1212 3.213,1213 3.169,1214 4.779,1215 3.172,1216 3.141,1217 3.22,1218 3.017,1219 2.97,1220 4.364,1221 2.968,1222 2.949,1223 3.034,1224 2.759,1225 2.765,1226 3.9,1227 2.751,1228 2.74,1229 2.84,1230 2.569,1231 2.554,1232 3.645,1233 2.548,1234 2.654,1235 2.727,1236 2.468,1237 2.359,1238 3.389,1239 2.376,1240 2.284,1241 2.38,1242 1.982,1243 1.778,1244 3.122,1245 1.809,1246 0.257,1247 0.186,1248 0.376,1249 0.233,1250 0.178,1251 4.628,1252 0.253,1253 3.353,1255 6.773,1256 0.614,1257 4.194,1258 0.175,1259 3.213,1260 4.555,1262 11.057,1263 3.151,1264 2.067,1265 2.043,1266 2.148,1267 2.158,1268 1.406,1269 2.157,1270 1.746,1271 1.707,1272 1.927,1273 1.875,1274 1.124,1275 1.894,1276 1.286,1277 1.238,1278 1.483,1279 1.501,1280 0.73,1281 1.5,1282 1.134,1283 1.059,1284 1.435,1285 1.349,1286 0.583,1287 1.381,1288 0.929,1289 0.861,1290 1.191,1291 1.205,1292 0.234,1293 1.201,1294 0.701,1295 0.636,1296 1.071,1297 1.009,1298 0.155,1299 1.042,1300 0.633,1301 0.51,1302 0.954,1303 0.889,1305 0.912,1306 0.164,1307 0.055,1308 0.706,1309 0.678,1311 0.698,1312 3.611,1314 4.949,1316 6.512,1318 8.181,1320 9.905,1326 6.164,1327 9.638,1328 2.252,1332 -0.263,1340 18.918,1341 43.798,1342 107.555,1343 125.207,1344 137.207,1345 139.207,1346 139.207,1347 21.775,1348 6.506,1349 59.14,1350 59.14,1351 18,1352 12.184,1353 3.585,1354 2.7,1355 21.654,1356 39,1357 30,1358 0.322,1359 116.239,1360 192.17,1361 275.382,1362 4766,1364 11.121,1365 0.695,1366 0.561,1367 11.121,1368 8.98,1369 7.754,1370 0.431,1371 0.311,1372 5.553,1373 7.588,1374 5.442,1375 4.464,1376 7.754,1377 5.595,1378 7.145,1379 0.275,1380 0.168,1381 7.145,1382 4.364,1383 6.227,1384 0.173,1385 0.091,1386 6.227,1387 3.28,1388 5.413,1389 0.11,1390 0.049,1391 5.413,1392 2.414,1393 4.507,1394 0.069,1395 0.027,1396 4.507,1397 1.778,1398 0.467,1399 47.798,1400 0.287,1401 15.571,1402 1.002,1403 88,1404 209.107,1405 93.184,1406 208.86,1407 292.17,1408 196,1409 106,1410 219.935,1411 111.158,1412 224.984,1413 332.54,1414 214,1415 6.163}
{0 CHEMBL1128,1 1.335,2 4.833,3 0.623,4 0.389,5 49.007,6 5.938,7 0.5,8 3.379,9 3.525,10 2.733,11 2.824,12 4.395,13 2.765,14 3.911,15 4.147,16 3.054,17 3.197,18 4.799,19 3.122,20 4.175,21 4.4,22 3.074,23 3.427,24 5.086,25 3.29,26 4.369,27 4.663,28 2.837,29 3.431,30 5.134,31 3.2,32 4.273,33 4.61,34 2.558,35 3.173,36 5.012,37 2.923,38 3.838,39 4.129,40 1.808,41 2.64,42 4.787,43 2.379,44 3.27,45 3.667,46 0.637,47 1.821,48 3.871,49 1.435,50 1.844,51 2.277,52 0.042,53 0.626,54 1.946,55 0.348,56 0.043,57 0.375,58 7.027,59 2.513,60 7.051,61 3.773,62 0.109,63 0.581,64 11.728,65 3.753,66 10.274,67 5.896,68 0.123,69 0.721,70 15.06,71 5.505,72 16.847,73 8.159,74 0.168,75 0.756,76 17.289,77 6.577,78 21.711,79 9.742,80 0.13,81 0.604,82 15.314,83 5.439,84 22.361,85 8.162,86 0.163,87 0.35,88 10.311,89 3.206,90 28.987,91 4.692,92 0.081,93 0.16,94 5.268,95 1.588,96 13.121,97 2.465,98 0.011,99 0.03,100 1.01,101 0.324,102 1.572,103 0.529,104 19,105 17,106 0.27,107 0.566,108 0.738,109 0.795,110 0.795,111 0.795,112 2.598,113 1.089,114 0.25,115 0.09,116 -0.13,121 35.7,122 1,126 2,127 1,144 4,146 2,176 2,185 2,187 3,189 3,197 1,200 1,203 1,211 1,213 1,214 2,216 1,227 1,237 1,239 1,281 116,282 7.533,283 7.533,284 7.533,285 7.533,286 7.533,287 6.795,288 10.552,289 4.268,290 7.743,291 5.8,292 5.8,293 5.8,294 5.8,295 5.8,296 4.732,297 14.698,298 1.91,299 6.13,300 3.472,301 2.002,302 1.152,303 0.867,304 0.867,305 0.867,306 3.184,311 1,312 1,313 110,314 2.828,318 39.133,325 0.722,326 7.323,329 1,330 0.83,331 0.83,332 0.9,333 1,334 1,335 1,336 0.94,337 25.5,338 58,339 4.488,340 3.71,341 7.289,342 4.292,343 3.372,344 3.87,345 1.2,346 12.355,347 3.103,348 3.744,349 2.623,350 5.215,351 3.348,352 2.391,353 3.072,355 6.494,356 2.278,357 2.916,358 1.728,359 4.58,360 2.519,361 1.556,362 2.054,364 4.321,365 1.491,366 2.589,367 1.161,368 3.489,369 2.121,370 1.128,371 1.628,373 2.534,374 1.119,375 1.395,376 0.502,377 3.098,378 1.348,379 0.375,380 0.381,382 0.498,383 0.364,384 0.932,385 -0.057,386 2.571,387 0.528,388 -0.403,389 -0.508,391 -0.895,392 -0.369,393 0.633,394 -0.6,395 2,396 0.198,397 -0.775,398 -1,400 -2.164,401 -0.75,403 -0.636,404 2,405 -0.1,406 -1,407 -1.007,409 -3,410 -0.9,411 -0.072,412 -1.157,413 1.602,414 -0.417,415 -1.346,416 -1.482,418 -3.4,419 -1.261,420 -0.428,421 -1.212,422 1.074,423 -0.542,424 -1.468,425 -1.802,426 -0.4,427 -4.196,428 -1.361,429 -0.5,430 -1.603,431 0.633,432 -0.895,433 -1.83,434 -2.205,435 -0.4,436 -5.407,437 -1.715,438 -0.696,439 -2,440 0.45,441 -1,442 -2,443 -3,444 -0.4,445 -7.138,446 -2,474 5.733,475 0.478,476 0.44,477 0.037,478 13.75,479 1.146,480 6.5,481 0.542,482 7.25,483 0.604,484 8.155,485 0.68,486 14.367,487 0.513,488 8.324,489 0.694,490 2.848,491 0.237,492 2.711,493 0.226,494 0.32,495 0.07,496 0.174,501 1.096,502 1.673,503 1.081,504 1.337,505 1.083,506 1.225,507 1.102,508 0.93,509 0.922,510 0.792,511 0.473,512 0.8,513 1.057,514 1.231,515 1.225,516 1.238,517 0.886,518 1.241,519 0.46,520 1.109,521 1.002,522 1.174,523 0.635,524 1.156,525 0.66,526 0.821,527 0.779,528 0.887,529 0.697,530 0.852,531 2.23,532 0.94,533 1.384,534 1.032,535 2.634,536 1.129,537 1.286,538 0.364,539 0.692,540 0.405,541 1.535,542 0.488,549 4,551 2,552 0.875,553 0.6,554 0.271,555 0.04,559 654,560 1357,561 1.799,562 57.1,564 12,567 1,569 3,572 1.462,573 1.618,574 2.387,575 -0.244,579 1,582 37.387,583 1.335,584 2.805,585 3.655,586 3.941,587 3.941,588 3.941,589 1.825,590 3.252,591 3.56,592 2.4,593 158.37,594 5.875,595 1116.3,597 1,600 134.606,601 1.784,602 3.439,603 0.333,605 0.118,606 0.055,607 0.055,608 0.034,609 0.02,613 0.614,614 1,615 1,616 1.425,617 41.255,618 -0.035,619 -0.351,620 0.018,621 -0.129,622 -0.157,623 -0.069,624 -0.091,625 0.276,626 0.134,627 0.226,628 0.141,629 0.218,630 -0.132,631 -0.091,632 -0.214,633 -0.16,634 -0.049,635 -0.188,636 0.126,637 -0.162,638 -0.096,639 -0.184,640 -0.019,641 -0.17,642 0.07,643 0.001,644 0.111,645 0.004,646 0.099,647 0.058,648 -0.331,649 -0.16,650 -0.371,651 -0.177,652 -0.38,653 -0.273,654 -0.074,655 0.221,656 0.183,657 0.299,658 -0.126,659 0.269,660 0.279,661 0.478,662 0.736,663 0.634,664 0.282,665 0.724,666 1.327,667 3.262,668 0.5,669 4.722,670 0.984,671 1.136,672 -1.484,673 2.201,674 0.613,675 2.565,676 2.89,677 2.996,678 2.996,679 3.091,680 2.708,681 2.485,682 1.386,685 3.191,686 0.56,687 166.27,688 2.565,689 4.078,690 4.875,691 5.74,692 6.567,693 7.43,694 8.266,695 9.126,696 9.967,697 10.824,698 3.6,712 1,715 4,720 2,722 6,738 1,741 28,743 6,744 1,745 12,747 28,748 10,749 6,750 2,751 4,756 1,757 1,763 1,772 6,773 4,793 16,794 1,795 1,796 2,802 1,803 1,807 1,808 1,809 1,829 1,859 1,864 3,868 12,875 1,876 1,883 1,893 3.6,895 1,901 7.417,902 5.783,903 2.708,904 1.793,907 1.184,908 1.244,909 0.843,910 2.503,911 6.044,912 2.773,913 3.314,914 3.744,915 4.153,916 4.588,917 4.328,918 4.275,919 3.056,922 1,923 16,924 4.414,925 0.006,926 1.713,927 0.026,929 7.694,931 8.54,932 0.002,933 6.538,934 0.004,936 2.194,937 26.333,938 0.014,941 176.567,942 68.385,945 42.683,948 68.385,949 219.25,951 25.618,952 2.106,953 37.905,954 42.683,955 2.757,957 176.567,959 176.567,960 68.385,961 42.683,964 141.253,965 77.997,968 10.931,969 57.454,972 176.567,973 42.683,974 68.385,977 176.567,978 4.862,979 63.523,981 42.683,982 176.567,983 42.683,984 68.385,986 0.591,987 0.336,988 0.14,989 0.074,990 8,991 4,992 0.071,993 2,995 1,996 2.241,997 65.045,999 6,1000 41.02,1005 9.233,1006 3.254,1007 2.068,1009 42.683,1010 7.409,1015 1.477,1017 42.683,1018 287.635,1019 15,1031 27.556,1032 31.822,1034 0.278,1035 0.584,1036 0.76,1037 0.82,1038 0.82,1039 0.82,1040 3.998,1041 -1,1042 4.963,1043 -2.164,1044 3.555,1045 3.989,1046 1.072,1047 5.844,1048 3.444,1049 5.243,1050 -1.346,1051 6.603,1052 -3,1053 3.611,1054 3.951,1055 0.931,1056 7.368,1057 3.357,1058 6.587,1059 -1.468,1060 8.373,1061 -3.4,1062 5.333,1063 6.134,1064 1.148,1065 10.291,1066 5.067,1067 7.969,1068 -1.83,1069 10.22,1070 -4.196,1071 6.133,1072 6.765,1073 1.241,1074 12.528,1075 5.716,1076 9.38,1077 -2,1078 12.114,1079 -5.407,1080 7.492,1081 8.554,1082 1.386,1083 15.152,1084 7.045,1085 10.811,1087 14.039,1088 -7.138,1089 8.558,1090 9.492,1091 1.521,1092 17.585,1093 7.98,1094 12.257,1096 15.983,1098 9.811,1099 11.095,1100 1.668,1101 20.132,1102 9.18,1103 3.372,1105 17.941,1107 10.972,1108 12.199,1109 1.818,1110 22.622,1111 10.229,1112 2.391,1113 12.355,1114 19.908,1116 12.195,1117 13.701,1118 1.973,1119 25.147,1120 11.383,1121 1.556,1122 6.494,1123 21.881,1124 3.87,1125 13.389,1126 14.903,1127 2.132,1128 27.653,1129 12.48,1130 1.128,1131 4.321,1132 23.858,1133 3.072,1134 14.605,1135 16.345,1136 2.294,1137 30.171,1138 13.619,1139 0.375,1140 2.534,1141 25.838,1142 2.054,1143 15.812,1144 17.605,1145 2.46,1146 32.682,1147 14.735,1148 -0.403,1149 0.498,1150 27.819,1151 1.628,1152 17.026,1153 19.012,1154 2.628,1155 35.198,1156 15.869,1157 -0.775,1158 -0.895,1159 29.802,1160 0.381,1161 18.238,1162 20.308,1163 2.798,1164 37.711,1165 16.994,1166 775,1167 1164,1168 7.049,1169 17.171,1170 17.764,1171 17.4,1172 19.007,1173 17.754,1174 17.644,1175 22.007,1176 2.4,1177 52.402,1178 16.712,1179 5.183,1180 5.71,1181 6.839,1182 5.292,1183 5.372,1184 6.87,1185 1.6,1186 19.493,1187 5.103,1188 7.02,1189 1.48,1190 1.45,1191 1.584,1192 1.48,1193 1.47,1194 1.834,1195 0.2,1196 4.367,1197 1.393,1198 3.985,1199 4.034,1200 3.915,1201 3.868,1202 6.471,1203 3.873,1204 3.635,1205 3.699,1206 3.502,1207 3.45,1208 4.664,1209 3.452,1210 3.201,1211 3.309,1212 2.929,1213 2.989,1214 4.251,1215 2.96,1216 2.933,1217 3.009,1218 2.803,1219 2.746,1220 3.812,1221 2.749,1222 2.874,1223 2.971,1224 2.56,1225 2.618,1226 3.527,1227 2.584,1228 2.738,1229 2.81,1230 2.499,1231 2.602,1232 3.467,1233 2.57,1234 2.321,1235 2.482,1236 1.886,1237 2.001,1238 3.34,1239 1.946,1240 2.181,1241 2.27,1242 1.872,1243 1.608,1244 2.673,1245 1.666,1246 0.374,1247 0.309,1248 0.607,1249 0.358,1250 0.281,1251 4.488,1252 0.323,1253 3.71,1254 0.1,1255 7.289,1256 1.03,1257 4.292,1258 0.259,1259 3.372,1260 3.87,1261 1.2,1262 12.355,1263 3.103,1264 1.935,1265 1.898,1266 2.072,1267 2.095,1268 1.286,1269 2.092,1270 1.615,1271 1.543,1272 1.851,1273 1.809,1274 0.955,1275 1.825,1276 1.235,1277 1.131,1278 1.626,1279 1.495,1280 0.716,1281 1.548,1282 0.934,1283 0.839,1284 1.417,1285 1.239,1286 0.469,1287 1.308,1288 0.883,1289 0.804,1290 1.141,1291 1.141,1292 0.183,1293 1.131,1294 0.756,1295 0.693,1296 1.049,1297 0.956,1298 0.13,1299 0.995,1300 0.383,1301 0.225,1302 0.936,1303 0.747,1304 0.058,1305 0.822,1306 0.025,1308 0.582,1309 0.58,1311 0.593,1312 3.219,1314 4.533,1316 6.057,1318 7.662,1320 9.303,1322 6.369,1327 9.262,1328 1.017,1335 0.8,1340 15.687,1341 37.387,1342 78.552,1343 102.341,1344 110.341,1345 110.341,1346 110.341,1347 16.718,1348 4.86,1349 20.23,1350 20.23,1351 6,1352 11.379,1353 2.807,1354 2,1355 21.764,1356 22,1357 20,1358 0.532,1359 102.773,1360 171.49,1361 242.525,1362 469,1364 9.19,1365 0.766,1366 0.664,1367 9.19,1368 7.964,1369 5.56,1370 0.463,1371 0.363,1372 4.287,1373 5.343,1374 4.064,1375 3.499,1376 5.56,1377 4.356,1378 5.311,1379 0.312,1380 0.223,1381 5.311,1382 3.788,1383 3.953,1384 0.208,1385 0.132,1386 3.953,1387 2.512,1388 2.433,1389 0.128,1390 0.06,1391 2.433,1392 1.131,1393 1.86,1394 0.089,1395 0.033,1396 1.86,1397 0.698,1398 0.756,1399 34.757,1400 0.377,1401 11.853,1402 1.691,1403 58,1404 126.483,1405 62.546,1406 126.342,1407 169.6,1408 116,1409 65,1410 125.284,1411 70.158,1412 129.832,1413 182.37,1414 120,1415 6.35}
{0 CHEMBL114059,1 1.658,2 4.2,3 2.211,4 4.887,5 38.424,6 8.068,7 0.6,8 2.936,9 3.038,10 2.554,11 2.473,12 4.263,13 2.458,14 3.359,15 3.5,16 2.817,17 2.772,18 4.894,19 2.745,20 3.486,21 3.658,22 2.722,23 2.768,24 4.785,25 2.717,26 3.528,27 3.766,28 2.416,29 2.441,30 4.818,31 2.384,32 3.02,33 3.245,34 1.989,35 1.828,36 4.511,37 1.851,38 2.615,39 2.837,40 0.651,41 1.036,42 4.094,43 0.999,56 0.104,57 0.233,58 2.921,59 1.505,60 2.853,61 1.863,62 0.16,63 0.331,64 5.215,65 2.411,66 36.956,67 3.048,68 0.106,69 0.367,70 6.089,71 2.576,72 9.139,73 3.332,74 0.229,75 0.31,76 8.373,77 2.394,78 43.497,79 3.262,80 0.158,81 0.174,82 4.959,83 1.119,84 20.152,85 1.447,86 0.22,87 0.072,88 4.141,89 0.686,90 48.122,91 0.649,104 11,105 13,106 0.372,107 0.616,108 0.722,109 0.827,110 0.827,111 0.827,112 2.442,113 0.873,114 -3.47,115 -3.45,116 -3.29,121 41.2,122 1,144 4,145 1,146 1,168 2,176 5,179 1,180 2,187 6,192 6,200 3,206 6,214 1,219 4,281 64,282 6.345,283 6.345,284 6.345,285 6.345,286 6.345,287 5.265,288 7.379,289 3.816,290 6.401,291 4.917,292 4.917,293 4.917,294 4.917,295 4.917,296 3.386,297 8.531,298 1.798,299 4.996,300 2.43,301 1.339,302 0.868,303 0.397,304 0.397,305 0.397,306 3.015,312 1,313 80,314 2,318 30.514,325 0.64,326 12.635,329 1,330 0.83,331 0.83,332 0.6,334 1,335 1,336 0.75,337 22.5,338 42,339 4.268,340 3.78,341 5.958,342 3.773,343 2.796,344 3.969,345 2.612,346 8.359,347 2.729,348 3.661,349 2.604,350 4.951,351 3.164,352 2.176,353 3.123,355 5.737,356 2.148,357 2.893,358 1.818,359 3.717,360 2.321,361 1.322,362 2.015,364 2.938,365 1.32,366 2.586,367 1.179,368 3.435,369 2,370 1,371 1.585,373 2.323,374 1,375 1,376 1,377 2,378 0.596,379 -0.403,380 -0.51,382 -0.894,383 -0.403,384 0.943,385 -0.13,386 2,387 0.21,388 -0.776,389 -1.096,391 -2,392 -0.764,393 0.676,394 -0.506,395 1.425,397 -1,398 -1.813,400 -2.078,401 -1,402 -0.056,403 -1.183,404 1.066,405 -0.357,406 -1.351,407 -2,409 -3.395,410 -1.342,411 -0.471,412 -1.481,413 1,414 -0.807,415 -1.763,416 -2.274,417 -0.612,418 -5.243,419 -1.688,420 -0.5,421 -2,422 0.447,423 -1,424 -2,425 -3,426 -2,427 -5.749,428 -2,474 4.567,475 0.457,476 0.302,477 0.03,478 14.75,479 1.475,480 9,481 0.9,482 5.75,483 0.575,484 4.101,485 0.41,486 11.033,487 0.649,488 7.92,489 0.792,490 3.067,491 0.307,492 1.631,493 0.163,494 0.255,496 0.307,501 0.195,502 0.946,503 0.653,504 0.942,505 0.477,506 0.944,507 0.353,508 1.089,509 0.657,510 1.048,511 0.334,512 0.962,513 0.64,514 1.36,515 0.979,516 1.384,517 0.532,518 1.29,519 1.142,520 1.038,521 0.998,522 1.001,523 1.143,524 0.971,525 1.628,526 0.839,527 1.202,528 0.917,529 1.406,530 0.897,531 3.407,533 2.113,534 0.022,535 3.681,536 0.616,549 2.5,551 1.111,552 0.625,553 0.462,554 0.125,559 408,560 1633,561 1.835,562 41.2,563 3,564 4,572 1.393,573 1.667,574 2.262,575 -0.672,582 28.184,583 1.658,584 2.749,585 3.22,586 3.69,587 3.69,588 3.69,589 1.522,590 2.371,591 3.299,592 2.225,593 100.103,594 5.326,595 623.09,600 69.487,601 1.571,602 3.209,603 0.25,605 0.085,606 0.057,607 0.066,608 0.031,613 0.49,614 1,615 1,616 1.185,617 31.367,618 0.382,619 0.24,620 0.051,621 0.106,622 0.003,623 -0.017,624 0.291,625 -0.061,626 0.143,628 0.308,629 0.023,630 -0.022,631 -0.35,632 -0.159,633 -0.405,634 0.037,635 -0.333,636 -0.133,637 -0.219,638 0.055,639 -0.109,640 -0.117,641 -0.001,642 -0.33,643 0.042,644 -0.102,645 -0.13,646 -0.121,647 -0.036,648 -1.091,649 0.562,650 -0.746,651 0.736,652 -1.096,653 0.195,666 2.396,667 3.159,668 0.6,669 3.68,670 1.024,671 1.127,672 2.241,673 5.02,674 0.659,675 2.398,676 2.639,677 2.708,678 2.773,679 2.833,680 2.303,681 1.946,685 2.879,686 0.649,687 137.15,688 2.398,689 3.85,690 4.615,691 5.434,692 6.225,693 7.041,694 7.84,695 8.654,696 9.457,697 10.269,698 5.9,709 1,715 4,720 2,722 6,735 1,741 17,743 8,744 1,745 10,747 17,748 7,749 6,750 2,751 4,756 1,757 1,763 1,772 6,773 1,777 2,779 1,782 2,793 7,794 2,796 3,802 1,808 1,809 2,829 1,859 1,864 1,868 10,893 11.8,899 2,901 6,902 3.367,903 2.278,904 0.922,907 1.491,908 1.328,909 0.895,910 1.785,911 6.035,912 2.773,913 3.35,914 3.744,915 4.176,916 4.633,917 4.343,918 4.407,922 0.667,923 11,924 3.631,925 0.02,926 1.447,927 0.026,929 8.433,931 6.548,932 0.009,933 4.821,934 0.015,935 0.001,936 2.933,937 29.333,938 0.011,941 82.398,942 52.673,943 5.67,945 50.747,948 52.673,949 133.145,950 5.67,951 14.495,953 37.905,955 5.942,957 82.398,958 50.747,959 82.398,960 58.343,961 50.747,964 82.398,966 50.747,968 8.825,969 43.847,970 5.67,972 82.398,973 56.417,974 52.673,977 82.398,978 5.942,979 52.4,981 50.747,982 82.398,983 56.417,984 52.673,986 0.574,987 0.307,988 0.143,989 0.078,990 6,991 3,992 0.059,993 1,995 1,996 2.108,997 47.811,999 6,1000 29.219,1005 6.906,1006 2.585,1007 1.633,1009 50.747,1010 6.521,1015 1.064,1018 191.487,1019 15,1021 -0.396,1024 20.317,1031 17.407,1032 19.163,1034 0.406,1035 0.673,1036 0.788,1037 0.903,1038 0.903,1039 0.903,1040 3.922,1041 -1.351,1042 4.595,1043 -2.078,1044 3.296,1045 4.025,1046 2.501,1047 5.293,1048 3.266,1049 5.143,1050 -1.763,1051 6.103,1052 -3.395,1053 2.944,1054 3.951,1055 2.361,1056 6.043,1057 2.879,1058 6.445,1059 -2,1060 7.71,1061 -5.243,1062 4.779,1063 6.221,1064 4.154,1065 8.998,1066 4.705,1067 7.781,1069 9.371,1070 -5.749,1071 5.142,1072 6.877,1073 4.506,1074 10.507,1075 5.023,1076 9.142,1078 11.065,1080 6.541,1081 8.681,1082 5.948,1083 12.986,1084 6.418,1085 10.521,1087 12.781,1089 7.235,1090 9.673,1091 6.556,1092 14.823,1093 7.066,1094 11.913,1096 14.512,1098 8.437,1099 11.273,1100 7.794,1101 17.104,1102 8.262,1103 2.796,1105 16.254,1107 9.294,1108 12.435,1109 8.548,1110 19.094,1111 9.077,1112 2.176,1113 8.359,1114 18.005,1116 10.404,1117 13.933,1118 9.67,1119 21.289,1120 10.176,1121 1.322,1122 5.737,1123 19.762,1124 3.969,1125 11.343,1126 15.188,1127 10.509,1128 23.351,1129 11.077,1130 1,1131 2.938,1132 21.525,1133 3.123,1134 12.409,1135 16.632,1136 11.563,1137 25.506,1138 12.128,1139 -0.403,1140 2.323,1141 23.291,1142 2.015,1143 13.391,1144 17.939,1145 12.452,1146 27.601,1147 13.076,1148 -0.776,1149 -0.894,1150 25.061,1151 1.585,1152 14.437,1153 19.354,1154 13.468,1155 29.739,1156 14.104,1157 -1,1158 -2,1159 26.833,1160 -0.51,1161 15.441,1162 20.691,1163 14.386,1164 31.85,1165 15.077,1166 490,1167 1048,1168 6.068,1169 11.199,1170 14.817,1171 15.679,1172 15.323,1173 14.595,1174 14.588,1175 21.384,1176 5.225,1177 38.716,1178 14.394,1179 4.768,1180 5.78,1181 5.511,1182 4.773,1183 4.796,1184 6.969,1185 4.612,1186 14.108,1187 4.729,1188 5.36,1189 1.482,1190 1.568,1191 1.532,1192 1.46,1193 1.459,1194 2.138,1195 0.522,1196 3.872,1197 1.439,1198 3.989,1199 4.016,1200 3.947,1201 3.872,1202 7.815,1203 3.877,1204 3.517,1205 3.547,1206 3.473,1207 3.129,1208 6.999,1209 3.195,1210 3.118,1211 3.199,1212 2.92,1213 2.915,1214 4.706,1215 2.923,1216 2.651,1217 2.719,1218 2.497,1219 2.388,1220 3.88,1221 2.425,1222 2.46,1223 2.557,1224 2.181,1225 2.244,1226 3.572,1227 2.225,1228 1.54,1229 1.746,1230 1.331,1231 1.14,1232 3.138,1233 1.066,1234 1.326,1235 1.208,1236 0.961,1237 0.642,1238 1.95,1239 0.714,1240 0.987,1241 1.207,1242 0.554,1243 0.512,1244 1.739,1245 0.597,1246 0.427,1247 0.378,1248 0.596,1249 0.377,1250 0.28,1251 4.268,1252 0.397,1253 3.78,1254 0.261,1255 5.958,1256 0.836,1257 3.773,1258 0.273,1259 2.796,1260 3.969,1261 2.612,1262 8.359,1263 2.729,1264 1.93,1265 1.903,1266 2.043,1267 2.086,1268 1.132,1269 2.057,1270 1.296,1271 1.247,1272 1.56,1273 1.702,1274 0.609,1275 1.62,1276 1.09,1277 1.029,1278 1.265,1279 1.362,1280 0.213,1281 1.387,1282 0.607,1283 0.536,1284 0.95,1285 0.883,1286 0.002,1287 0.914,1288 0.467,1289 0.388,1290 0.763,1291 0.738,1293 0.781,1296 0.336,1297 0.085,1299 0.184,1312 3.045,1314 4.29,1316 5.733,1318 7.262,1320 8.831,1322 1.826,1340 11.031,1341 28.184,1342 46.732,1343 54.732,1344 62.732,1345 62.732,1346 62.732,1347 13.552,1348 4.543,1349 45.82,1350 45.82,1351 6,1352 10.858,1353 3.17,1354 2.585,1355 16.543,1356 17,1357 12,1358 0.544,1359 73.601,1360 124.42,1361 171.346,1362 314,1364 7.56,1365 0.756,1366 0.557,1367 7.56,1368 5.573,1369 4.698,1370 0.47,1371 0.291,1372 2.866,1373 4.449,1374 2.756,1375 2.349,1376 4.698,1377 2.91,1378 4.276,1379 0.329,1380 0.161,1381 4.276,1382 2.096,1383 2.92,1384 0.209,1385 0.087,1386 2.92,1387 1.212,1388 2.087,1389 0.139,1390 0.049,1391 2.087,1392 0.742,1393 1.572,1394 0.098,1395 0.027,1396 1.572,1397 0.424,1398 0.767,1399 30.089,1400 0.406,1401 9.861,1402 1.708,1403 46,1404 193.116,1405 52.177,1406 184.357,1407 232.9,1408 166,1409 50,1410 165.365,1411 55.819,1412 163.153,1413 226.18,1414 150,1415 5.31}
{0 CHEMBL115581,1 1.456,2 7.111,3 2.46,4 6.051,5 68.204,6 8.182,7 0.6,8 3.481,9 3.572,10 3.139,11 3.134,12 4.674,13 3.118,14 3.972,15 4.096,16 3.5,17 3.508,18 5.157,19 3.48,20 4.208,21 4.37,22 3.562,23 3.571,24 5.548,25 3.526,26 4.204,27 4.403,28 3.349,29 3.447,30 5.386,31 3.383,32 4.059,33 4.243,34 3.243,35 3.291,36 5.384,37 3.253,38 3.871,39 4.043,40 3.066,41 3.189,42 5.179,43 3.131,44 3.699,45 3.876,46 2.777,47 2.989,48 4.979,49 2.9,50 3.417,51 3.655,52 2.086,53 2.56,54 4.492,55 2.39,56 0.011,57 0.358,58 4.497,59 2.496,60 4.373,61 2.943,62 0.091,63 0.609,64 8.332,65 4.055,66 8.28,67 4.872,68 0.217,69 0.753,70 12.429,71 5.523,72 43.41,73 6.867,74 0.168,75 0.763,76 13.87,77 5.554,78 32.219,79 6.743,80 0.21,81 0.63,82 12.367,83 4.764,84 42.224,85 5.332,86 0.153,87 0.506,88 9.76,89 4.109,90 33.018,91 4.68,92 0.112,93 0.421,94 8.135,95 3.56,96 25.75,97 4.153,98 0.095,99 0.325,100 6.965,101 2.854,102 20.782,103 3.63,104 5,105 28,106 0.275,107 0.521,108 0.631,109 0.791,110 0.854,111 0.854,112 2.962,113 0.864,114 -3.95,115 -3.9,116 -3.7,121 51.7,127 1,144 9,145 2,146 1,159 1,160 1,176 10,179 1,180 4,187 10,191 2,192 6,200 5,206 8,214 2,219 7,227 6,232 4,239 9,244 3,251 8,256 1,264 4,277 1,281 356,282 12.328,283 12.328,284 12.328,285 12.328,286 12.328,287 10.691,288 12.333,289 7.348,290 12.376,291 9.863,292 9.863,293 9.863,294 9.863,295 9.863,296 7.365,297 17.77,298 3.49,299 9.919,300 3.402,301 2.105,302 1.522,303 0.676,304 0.345,305 0.345,306 3.64,311 1,312 1,313 278,314 2,317 33.194,318 91.695,321 63.493,325 0.914,326 19.498,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 38.5,338 128,339 4.587,340 3.982,341 6.972,342 4.296,343 3.309,344 4.131,345 1.23,346 11.743,347 3.269,348 3.902,349 3.026,350 5.701,351 3.525,352 2.529,353 3.446,354 0.521,355 7.563,356 2.516,357 3.602,358 2.821,359 5.541,360 3.165,361 2.144,362 2.963,364 6.63,365 2.181,366 3.318,367 2.587,368 5.241,369 3.008,370 2.022,371 2.475,373 6.314,374 1.978,375 2.886,376 1.84,377 3.778,378 2.445,379 1.445,380 2.041,382 3.128,383 1.444,384 2.84,385 1.508,386 3.641,387 2.36,388 1.354,389 1.97,391 2.955,392 1.359,393 2.5,394 1.319,395 3.546,396 2,397 1,398 1.5,400 2.299,401 1,402 2.422,403 1.026,404 3.247,405 1.926,406 0.92,407 1.314,409 2.136,410 0.921,411 1.927,412 1,413 3.083,414 1.398,415 0.326,416 0.475,418 0.785,419 0.344,420 1.049,421 0.087,422 2.528,423 0.697,424 -0.32,425 -0.429,427 -0.768,428 -0.325,429 0.769,430 -0.019,431 2.312,432 0.327,433 -0.686,434 -0.919,436 -1.621,437 -0.688,438 0.575,439 -0.709,440 2,441 0.101,442 -0.898,443 -1.292,445 -2.153,446 -0.897,447 0.5,448 -0.827,449 1.555,451 -1,452 -1.5,454 -2.347,455 -1,456 0.278,457 -1,458 1.548,459 -0.15,460 -1.18,461 -1.616,463 -3.01,464 -1.184,465 0.04,466 -1.104,467 1.439,468 -0.321,469 -1.38,470 -2,472 -3.746,473 -1.495,474 8.567,475 0.476,476 0.401,477 0.022,478 26.75,479 1.486,480 15.5,481 0.861,482 11.25,483 0.625,484 9.675,485 0.537,486 17.833,487 0.615,488 17.333,489 0.963,490 5.498,491 0.305,492 3.273,493 0.182,494 0.078,496 0.339,501 0.537,502 1.091,503 0.659,504 0.912,505 0.495,506 0.826,507 0.611,508 1.1,509 0.824,510 0.982,511 0.584,512 0.941,513 0.633,514 1.162,515 0.864,516 1.102,517 0.664,518 1.038,519 1.127,520 1.063,521 1.053,522 1.033,523 1.016,524 1.022,525 1.623,526 0.831,527 1.084,528 0.85,529 1.591,530 0.865,531 1.408,532 0.825,533 1.103,534 0.916,535 1.448,536 0.954,537 1.275,538 1.011,539 1.237,540 1.136,541 1.369,542 1.183,543 1.026,544 1.015,545 1.301,546 1.162,547 1.123,548 1.268,549 2.5,551 2,552 1.924,553 0.773,554 0.622,555 0.195,556 0.112,557 0.053,559 2679,560 7583,561 2.12,562 37.9,564 11,572 1.591,573 2,574 2.839,575 -0.818,577 1,578 1,579 1,582 42.224,583 1.456,584 2.753,585 3.336,586 4.182,587 4.513,588 4.513,589 2.177,590 3.308,591 4.143,592 2.915,593 446.068,594 7.051,595 4110.88,596 1,597 1,599 1,600 140.881,601 1.352,602 4.109,603 0.125,605 0.071,606 0.069,607 0.035,608 0.031,609 0.011,610 0.009,611 0.011,613 0.363,614 1,615 1,616 0.584,617 74.744,618 -0.006,619 -0.107,620 0.044,621 -0.018,622 -0.036,623 0.011,624 0.067,625 -0.072,626 -0.038,627 -0.089,628 -0.022,629 -0.085,630 0.275,631 -0.181,632 0.055,633 -0.164,634 0.208,635 -0.109,636 -0.104,637 -0.059,638 -0.046,639 -0.077,640 -0.037,641 -0.052,642 -0.233,643 0.146,644 -0.041,645 0.118,646 -0.146,647 0.086,648 -0.203,649 0.097,650 -0.114,651 0.067,652 -0.146,653 0.008,654 -0.173,655 -0.119,656 -0.251,657 -0.145,658 -0.158,659 -0.202,660 -0.115,661 -0.121,662 -0.216,663 -0.128,664 -0.145,665 -0.182,666 2.111,667 4.943,668 0.833,669 10.58,670 1.006,671 1.103,672 2.719,673 7.391,674 0.715,675 3.045,676 3.367,677 3.689,678 3.97,679 4.174,680 4.127,681 4.205,682 4.248,683 4.111,684 3.97,685 4.306,686 0.693,687 237.27,688 3.045,689 4.575,690 5.442,691 6.33,692 7.22,693 8.119,694 9.018,695 9.922,696 10.827,697 11.734,698 3.4,705 1,715 9,720 3,722 12,727 1,741 29,743 14,744 2,745 20,747 31,748 15,749 12,750 3,751 9,752 2,756 3,757 4,772 14,773 1,777 2,782 2,786 2,790 1,793 11,794 3,796 3,802 1,808 0.667,809 2,828 1,829 2,832 1,844 1,859 2,868 18,876 1,881 1,893 6.9,896 2,901 9,902 5.283,903 3.972,904 1.707,907 2.36,908 1.363,909 1.016,910 2.543,911 8.854,912 3.367,913 3.932,914 4.516,915 5.027,916 5.527,917 5.556,918 5.874,919 6.167,920 6.321,921 6.456,922 0.8,923 28,924 6.674,926 2.928,927 0.026,929 7.935,931 12.516,933 10.382,936 2.435,937 43.833,938 0.001,941 129.482,942 106.358,943 3.124,945 50.29,948 106.358,949 179.772,950 3.124,952 5.23,953 85.286,954 60.128,955 9.128,957 129.482,959 129.482,960 109.482,961 50.29,964 129.482,965 50.29,968 5.23,969 104.252,972 129.482,973 53.414,974 106.358,977 129.482,978 21.072,979 88.411,981 50.29,982 129.482,983 53.414,984 106.358,986 0.579,987 0.353,988 0.199,989 0.11,990 15,991 6,992 0.065,993 2,994 1,995 1.133,996 3.046,997 133.499,998 0.133,999 15,1000 71.059,1005 10.879,1006 4.208,1007 1.786,1009 53.414,1010 16.763,1015 2.213,1018 289.254,1019 28,1024 23.749,1028 -0.86,1031 29.174,1032 31.993,1034 0.3,1035 0.567,1036 0.687,1037 0.861,1038 0.929,1039 0.929,1040 4.585,1041 0.92,1042 5.425,1043 2.299,1044 4.043,1045 4.615,1046 1.487,1047 6.271,1048 4.033,1049 5.782,1050 0.326,1051 7.004,1052 2.136,1053 3.611,1054 4.27,1055 0.325,1056 7.252,1057 3.596,1058 7.081,1059 -0.32,1060 8.693,1061 0.785,1062 5.652,1063 6.746,1064 1.615,1065 10.429,1066 5.62,1067 8.42,1068 -0.686,1069 10.449,1070 -0.768,1071 6.111,1072 7.242,1073 0.74,1074 12.308,1075 6.071,1076 9.796,1077 -0.898,1078 12.248,1079 -1.621,1080 7.613,1081 9.168,1082 1.853,1083 15.007,1084 7.555,1085 11.2,1086 -1,1087 14.078,1088 -2.153,1089 8.489,1090 10.081,1091 1.168,1092 17.248,1093 8.42,1094 12.627,1095 -1.18,1096 15.929,1097 -2.347,1098 9.786,1099 11.757,1100 2.14,1101 19.792,1102 9.701,1103 3.309,1104 -1.38,1105 17.798,1106 -3.01,1107 10.847,1108 12.893,1109 1.605,1110 22.173,1111 10.75,1112 2.529,1113 11.743,1114 19.68,1115 -3.746,1116 12.072,1117 14.443,1118 2.456,1119 24.665,1120 11.96,1121 2.144,1122 7.563,1123 21.572,1124 4.131,1125 13.212,1126 15.703,1127 2.049,1128 27.098,1129 13.087,1130 2.022,1131 6.63,1132 23.474,1133 3.446,1134 14.413,1135 17.187,1136 2.793,1137 29.571,1138 14.275,1139 1.445,1140 6.314,1141 25.384,1142 2.963,1143 15.585,1144 18.515,1145 2.494,1146 32.024,1147 15.434,1148 1.354,1149 3.128,1150 27.299,1151 2.475,1152 16.78,1153 19.966,1154 3.145,1155 34.49,1156 16.616,1157 1,1158 2.955,1159 29.219,1160 2.041,1161 17.966,1162 21.333,1163 2.938,1164 36.95,1165 17.789,1166 2619,1167 4495,1168 13.523,1169 20.722,1170 30.768,1171 32.205,1172 31.1,1173 30.156,1174 30.098,1175 40.631,1176 3.503,1177 87.103,1178 30.024,1179 5.484,1180 5.982,1181 6.774,1182 5.299,1183 5.309,1184 7.131,1185 2.335,1186 18.957,1187 5.269,1188 6.68,1189 1.538,1190 1.61,1191 1.555,1192 1.508,1193 1.505,1194 2.032,1195 0.175,1196 4.355,1197 1.501,1198 4.034,1199 4.058,1200 3.997,1201 3.94,1202 7.497,1203 3.948,1204 3.871,1205 3.899,1206 3.8,1207 3.816,1208 7.352,1209 3.809,1210 3.457,1211 3.483,1212 3.396,1213 3.279,1214 4.77,1215 3.305,1216 3.149,1217 3.191,1218 3.04,1219 2.993,1220 4.69,1221 2.995,1222 2.854,1223 2.925,1224 2.723,1225 2.735,1226 3.946,1227 2.717,1228 2.848,1229 2.907,1230 2.687,1231 2.728,1232 3.674,1233 2.715,1234 2.605,1235 2.613,1236 2.545,1237 2.417,1238 3.619,1239 2.443,1240 2.519,1241 2.591,1242 2.384,1243 2.287,1244 3.573,1245 2.288,1246 0.229,1247 0.199,1248 0.349,1249 0.215,1250 0.165,1251 4.587,1252 0.207,1253 3.982,1254 0.062,1255 6.972,1256 0.587,1257 4.296,1258 0.163,1259 3.309,1260 4.131,1261 1.23,1262 11.743,1263 3.269,1264 1.923,1265 1.894,1266 2.045,1267 2.014,1268 1.176,1269 2.025,1270 1.864,1271 1.841,1272 1.973,1273 1.94,1274 1.064,1275 1.952,1276 1.423,1277 1.406,1278 1.55,1279 1.67,1280 0.702,1281 1.621,1282 1.132,1283 1.094,1284 1.293,1285 1.329,1286 0.299,1287 1.325,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.835,1295 0.787,1296 1.075,1297 1.001,1298 0.16,1299 1.029,1300 0.761,1301 0.713,1302 0.985,1303 0.969,1304 0.027,1305 0.979,1306 0.424,1307 0.326,1308 0.824,1309 0.7,1311 0.751,1312 3.714,1314 5.03,1315 2.398,1316 6.561,1317 4.949,1318 8.182,1319 7.195,1320 9.851,1328 0.433,1333 1.535,1340 20.085,1341 42.224,1342 79.823,1343 96.742,1344 121.272,1345 130.881,1346 130.881,1347 28.621,1348 6.494,1349 39.07,1350 39.07,1351 17,1352 12.252,1353 3.907,1354 3.17,1355 25.603,1356 45,1357 46,1358 0.285,1359 123.843,1360 216.64,1361 293.937,1362 4782,1364 12.535,1365 0.696,1366 0.537,1367 12.535,1368 9.667,1369 8.771,1370 0.439,1371 0.288,1372 5.71,1373 8.556,1374 5.59,1375 4.63,1376 8.771,1377 5.763,1378 7.734,1379 0.276,1380 0.151,1381 7.734,1382 4.223,1383 6.935,1384 0.178,1385 0.079,1386 6.935,1387 3.062,1388 5.74,1389 0.11,1390 0.042,1391 5.74,1392 2.171,1393 4.717,1394 0.074,1395 0.023,1396 4.717,1397 1.466,1398 0.424,1399 54.317,1400 0.272,1401 17.719,1402 0.85,1403 96,1404 289.116,1405 103.066,1406 281.525,1407 381.39,1408 262,1409 115,1410 275.794,1411 123.314,1412 281.122,1413 414.83,1414 265,1415 4}
{0 CHEMBL115697,1 1.334,2 6.9,3 3.1,4 9.61,5 82.947,6 7.467,7 0.739,8 3.673,9 3.798,10 3.263,11 3.311,12 4.761,13 3.279,14 4.171,15 4.324,16 3.635,17 3.724,18 5.186,19 3.671,20 4.481,21 4.679,22 3.82,23 3.912,24 5.464,25 3.849,26 4.532,27 4.743,28 3.712,29 3.88,30 5.552,31 3.79,32 4.52,33 4.758,34 3.529,35 3.811,36 5.468,37 3.691,38 4.403,39 4.67,40 3.171,41 3.619,42 5.235,43 3.445,44 4.142,45 4.431,46 2.806,47 3.296,48 4.948,49 3.104,50 3.744,51 4.067,52 1.97,53 2.774,54 4.417,55 2.505,56 0.042,57 0.512,58 6.925,59 2.933,60 7.379,61 3.925,62 0.057,63 0.829,64 12.029,65 5.182,66 8.833,67 7.059,68 0.106,69 1.13,70 17.813,71 7.037,72 15.515,73 9.79,74 0.199,75 1.212,76 19.152,77 7.097,78 26.007,79 9.866,80 0.196,81 1.159,82 19.806,83 7.311,84 27.669,85 10.261,86 0.121,87 0.966,88 18.415,89 7.373,90 21.849,91 10.501,92 0.097,93 0.73,94 14.671,95 5.805,96 18.543,97 8.347,98 0.071,99 0.466,100 10.347,101 4.096,102 13.035,103 5.956,104 2,105 33,106 0.241,107 0.602,108 0.73,109 0.854,110 0.895,111 0.895,112 3.061,113 0.893,114 -3.91,115 -3.87,116 -3.67,121 48.6,123 1,127 1,144 8,145 3,146 2,148 2,165 1,166 1,167 1,176 9,180 4,185 5,187 10,189 2,192 4,197 5,200 8,203 2,206 3,208 1,209 2,211 4,214 9,216 3,219 1,223 1,224 3,226 1,227 10,229 2,237 4,239 8,241 2,249 3,251 7,253 1,264 4,277 1,281 392,282 13.983,283 13.983,284 13.983,285 13.983,286 13.983,287 11.954,288 11.043,289 8.247,290 14.107,291 11.371,292 11.371,293 11.371,294 11.371,295 11.371,296 8.333,297 14.21,298 3.893,299 11.589,300 3.796,301 1.793,302 1.086,303 0.4,304 0.171,305 0.171,306 3.767,310 1,311 1,312 1,313 311,314 1.871,318 83.071,319 29.487,322 45.708,323 96.33,325 0.93,326 11.155,328 1,329 1,330 0.83,331 1,332 0.6,333 0.5,334 1,335 1,336 0.85,337 41.5,338 138,339 4.677,340 3.361,341 6.904,342 4.26,343 3.278,344 4.589,345 0.4,346 11.563,347 3.217,348 4.262,349 2.919,350 6.405,351 3.847,352 2.861,353 3.935,355 9.774,356 2.819,357 3.771,358 2.497,359 5.806,360 3.357,361 2.369,362 3.271,364 7.775,365 2.339,366 3.421,367 2.135,368 5.249,369 2.989,370 2.033,371 2.797,373 6.188,374 1.94,375 2.958,376 1.815,377 4.494,378 2.629,379 1.66,380 2.143,382 4.273,383 1.607,384 2.928,385 1.474,386 3.799,387 2.433,388 1.442,389 2.108,391 3.117,392 1.428,393 2.817,394 1.422,395 3.717,396 2.391,397 1.395,398 1.94,400 3.074,401 1.389,402 2.4,403 1.122,404 3.59,405 2.042,406 1.059,407 1.36,409 2.473,410 1.04,411 2.299,412 0.953,413 3.514,414 1.894,415 0.913,416 1.257,418 2.283,419 0.895,420 1.525,421 0.585,422 3.087,423 1.245,424 0.299,425 0.349,427 0.763,428 0.282,429 1.208,430 -0.047,431 2.733,432 0.839,433 -0.139,434 -0.17,436 -0.345,437 -0.136,438 1.043,439 -0.172,440 2.589,441 0.7,442 -0.26,443 -0.336,445 -0.65,446 -0.249,447 0.673,448 -0.718,449 2.19,450 0.231,451 -0.752,452 -1.049,454 -1.862,455 -0.738,456 0.567,457 -0.849,458 2,459 0.088,460 -0.905,461 -1.241,463 -2.195,464 -0.895,465 0.443,466 -0.889,467 2,468 0.041,469 -0.938,470 -1.318,472 -2.214,473 -0.918,474 9.7,475 0.485,476 0.415,477 0.021,478 29.75,479 1.488,480 17,481 0.85,482 12.75,483 0.638,484 12.807,485 0.64,486 19.7,487 0.563,488 18.89,489 0.945,490 5.794,491 0.29,492 4.049,493 0.202,494 0.041,496 0.361,501 1.131,502 0.963,503 0.801,504 0.798,505 1.186,506 0.775,507 0.892,508 1.129,509 0.846,510 0.981,511 0.734,512 0.923,513 1.036,514 1.14,515 0.826,516 0.934,517 0.807,518 0.874,519 1.311,520 1.129,521 1.139,522 1.088,523 1.271,524 1.096,525 1.362,526 0.961,527 1.181,528 1.019,529 1.404,530 1.071,531 0.866,532 0.974,533 1.098,534 1.095,535 0.964,536 1.113,537 0.783,538 0.923,539 1.022,540 1.034,541 0.881,542 1.047,543 0.671,544 0.802,545 1.066,546 1.034,547 0.827,548 1.076,549 2.5,551 2.444,552 1.688,553 1.415,554 0.701,555 0.213,556 0.083,557 0.032,559 3520,560 7784,561 2.226,562 42.9,564 10,567 3,569 2,572 1.626,573 2.143,574 2.798,575 1.005,577 1,579 1,582 46.68,583 1.334,584 3.336,585 4.044,586 4.729,587 4.958,588 4.958,589 2.202,590 4.222,591 4.3,592 2.846,593 540.71,594 7.384,595 5212.82,596 1,597 1,598 1,599 1,600 179.525,601 1.188,602 4.278,603 0.109,605 0.074,606 0.043,607 0.043,608 0.026,609 0.012,610 0.007,611 0.008,613 0.322,614 1,615 1,616 0.432,617 84.832,618 -0.139,619 0.112,620 0.034,621 0.121,622 -0.201,623 0.099,624 -0.013,625 -0.108,626 0.02,627 -0.038,628 -0.01,629 -0.012,630 0.022,631 -0.123,632 0.106,633 0.009,634 0.082,635 0.055,636 -0.02,637 -0.075,638 -0.188,639 -0.174,640 -0.039,641 -0.192,642 -0.172,643 0.054,644 -0.203,645 -0.077,646 -0.182,647 -0.13,648 -0.063,649 -0.066,650 -0.097,651 -0.09,652 -0.029,653 -0.095,654 0.004,655 -0.037,656 0.009,657 -0.014,658 0.009,659 -0.004,660 0.004,661 0.032,662 0.005,663 0.019,664 -0.046,665 0.014,666 0.802,667 2.399,668 0.95,669 10.5,670 0.989,671 1.114,672 2.681,673 7.189,674 0.702,675 3.178,676 3.526,677 3.892,678 4.22,679 4.522,680 4.663,681 4.812,682 4.949,683 5.05,684 5.069,685 4.156,686 0.664,687 261.35,688 3.178,689 4.727,690 5.617,691 6.521,692 7.427,693 8.339,694 9.251,695 10.167,696 11.081,697 11.997,698 8.6,702 1,703 1,708 1,714 2,715 8,716 1,720 5,722 17,733 1,734 1,741 35,743 17,744 2,745 23,747 38,748 17,749 15,750 4,751 8,756 4,757 10,767 1,770 1,772 15,773 2,789 1,790 1,793 15,794 3,795 3,796 3,802 3,808 0.25,822 1,829 3,830 1,833 1,834 2,859 1,868 20,869 1,876 2,877 1,901 9.333,902 6.2,903 4.333,904 2.121,907 3.647,908 1.491,909 1.089,910 2.556,911 11.074,912 3.481,913 4.159,914 4.854,915 5.516,916 6.161,917 6.542,918 7.024,919 7.477,920 7.897,921 8.125,922 0.8,923 39,924 7.375,926 3.211,927 0.026,929 7.508,931 14.422,933 12.378,936 2.008,937 40.167,938 0.001,941 141.253,942 99.809,943 67.693,948 99.809,949 141.253,950 67.693,952 4.64,953 108.707,954 34.796,955 19.358,957 141.253,959 141.253,960 167.502,964 117.711,965 23.542,968 9.541,969 123.165,970 34.796,972 141.253,973 67.693,974 99.809,977 141.253,978 23.999,979 75.81,980 18.011,981 49.683,982 141.253,983 67.693,984 99.809,986 0.582,987 0.362,988 0.213,989 0.121,990 19,991 7,994 3,995 1.316,996 3.179,997 168.704,998 0.316,999 19,1000 84.439,1005 11.593,1006 4.41,1007 1.756,1008 2.006,1009 67.693,1010 16.363,1011 4.858,1015 5.304,1017 50.908,1018 308.755,1019 31.5,1031 34.607,1032 38.986,1034 0.26,1035 0.65,1036 0.788,1037 0.922,1038 0.967,1039 0.967,1040 4.712,1041 1.059,1042 5.602,1043 3.074,1044 4.205,1045 4.844,1046 0.278,1047 6.472,1048 4.166,1049 5.939,1050 0.913,1051 7.191,1052 2.473,1053 3.761,1054 4.691,1056 7.483,1057 3.704,1058 7.268,1059 0.299,1060 8.888,1061 2.283,1062 5.838,1063 7.159,1064 0.05,1065 10.658,1066 5.763,1067 8.64,1068 -0.139,1069 10.65,1070 0.763,1071 6.275,1072 7.88,1074 12.511,1075 6.181,1076 10.048,1077 -0.26,1078 12.454,1079 -0.345,1080 7.789,1081 9.788,1082 0.008,1083 15.196,1084 7.68,1085 11.482,1086 -0.752,1087 14.285,1088 -0.65,1089 8.633,1090 10.92,1092 17.379,1093 8.505,1094 12.936,1095 -0.905,1096 16.135,1097 -1.862,1098 9.926,1099 12.595,1100 0.001,1101 19.901,1102 9.783,1103 3.278,1104 -0.938,1105 17.999,1106 -2.195,1107 10.955,1108 13.926,1110 22.222,1111 10.791,1112 2.861,1113 11.563,1114 19.872,1115 -2.214,1116 12.165,1117 15.502,1119 24.687,1120 11.985,1121 2.369,1122 9.774,1123 21.753,1124 4.589,1125 13.274,1126 16.928,1128 27.07,1129 13.073,1130 2.033,1131 7.775,1132 23.641,1133 3.935,1134 14.456,1135 18.464,1137 29.515,1138 14.237,1139 1.66,1140 6.188,1141 25.533,1142 3.271,1143 15.601,1144 19.935,1146 31.928,1147 15.362,1148 1.442,1149 4.273,1150 27.43,1151 2.797,1152 16.775,1153 21.457,1155 34.368,1156 16.518,1157 1.395,1158 3.117,1159 29.33,1160 2.143,1161 17.937,1162 22.951,1164 36.794,1165 17.66,1166 3294,1167 4981,1168 16.008,1169 24.586,1170 34.724,1171 34.932,1172 35.741,1173 34.609,1174 34.615,1175 47.495,1176 0.8,1177 102.567,1178 33.911,1179 5.544,1180 5.361,1181 6.59,1182 5.305,1183 5.278,1184 7.589,1185 0.8,1186 19.242,1187 5.217,1188 4.968,1189 1.51,1190 1.519,1191 1.554,1192 1.505,1193 1.505,1194 2.065,1195 0.035,1196 4.459,1197 1.474,1198 4.122,1199 4.15,1200 4.088,1201 4.053,1202 5.151,1203 4.058,1204 3.876,1205 3.908,1206 3.817,1207 3.815,1208 4.824,1209 3.812,1210 3.556,1211 3.61,1212 3.447,1213 3.462,1214 4.705,1215 3.453,1216 3.299,1217 3.377,1218 3.17,1219 3.117,1220 4.298,1221 3.119,1222 3.084,1223 3.162,1224 2.995,1225 2.919,1226 4.12,1227 2.927,1228 2.881,1229 2.961,1230 2.737,1231 2.743,1232 3.737,1233 2.733,1234 2.8,1235 2.865,1236 2.669,1237 2.694,1238 3.603,1239 2.681,1240 2.681,1241 2.796,1242 2.473,1243 2.458,1244 3.497,1245 2.448,1246 0.203,1247 0.146,1248 0.3,1249 0.185,1250 0.143,1251 4.677,1252 0.2,1253 3.361,1254 0.017,1255 6.904,1256 0.503,1257 4.26,1258 0.14,1259 3.278,1260 4.589,1261 0.4,1262 11.563,1263 3.217,1264 2.059,1265 2.038,1266 2.123,1267 2.139,1268 1.292,1269 2.136,1270 1.875,1271 1.847,1272 1.988,1273 1.969,1274 1.116,1275 1.978,1276 1.61,1277 1.561,1278 1.814,1279 1.758,1280 1.029,1281 1.781,1282 1.268,1283 1.202,1284 1.478,1285 1.481,1286 0.563,1287 1.488,1288 1.035,1289 0.976,1290 1.244,1291 1.282,1292 0.263,1293 1.276,1294 0.883,1295 0.818,1296 1.158,1297 1.097,1298 0.231,1299 1.122,1300 0.841,1301 0.786,1302 1.109,1303 1.016,1304 0.167,1305 1.055,1306 0.648,1307 0.532,1308 0.987,1309 0.935,1310 0.039,1311 0.964,1312 3.85,1314 5.187,1316 6.746,1317 2.708,1318 8.41,1319 5.293,1320 10.127,1326 6.399,1328 1.78,1329 3.458,1340 23.225,1341 46.68,1342 116.77,1343 141.525,1344 165.525,1345 173.525,1346 173.525,1347 21.398,1348 7.427,1349 50.94,1350 50.94,1351 25,1352 12.509,1353 4.17,1354 3.248,1355 25.907,1356 51,1357 42,1358 0.266,1359 141.23,1360 232.4,1361 336.362,1362 16211,1364 13.527,1365 0.676,1366 0.553,1367 13.527,1368 11.058,1369 9.843,1370 0.428,1371 0.298,1372 6.803,1373 9.681,1374 6.663,1375 5.501,1376 9.843,1377 6.848,1378 8.77,1379 0.266,1380 0.154,1381 8.77,1382 5.092,1383 8.074,1384 0.168,1385 0.081,1386 8.074,1387 3.91,1388 7.196,1389 0.107,1390 0.044,1391 7.196,1392 2.919,1393 6.213,1394 0.068,1395 0.023,1396 6.213,1397 2.13,1398 0.388,1399 60.211,1400 0.25,1401 19.056,1402 0.826,1403 112,1404 249.29,1405 116.801,1406 255.547,1407 370.65,1408 242,1409 137,1410 291.352,1411 142.495,1412 300.192,1413 446.04,1414 286,1415 4.159}
{0 CHEMBL115835,1 1.361,2 12.706,3 6.25,4 39.061,5 134.684,6 6.581,7 0.324,8 4.304,9 4.428,10 3.766,11 3.864,12 5.288,13 3.81,14 4.9,15 5.089,16 4.175,17 4.283,18 5.859,19 4.209,20 5.203,21 5.422,22 4.23,23 4.431,24 6.165,25 4.331,26 5.278,27 5.533,28 4.24,29 4.414,30 6.272,31 4.318,32 5.155,33 5.348,34 4.215,35 4.408,36 6.266,37 4.328,38 5.214,39 5.429,40 4.166,41 4.486,42 6.173,43 4.36,44 5.296,45 5.549,46 4.028,47 4.497,48 6.122,49 4.32,50 5.271,51 5.554,52 3.838,53 4.403,54 6.009,55 4.19,56 0.048,57 0.95,58 16.086,59 7.178,60 10.064,61 9.776,62 0.334,63 1.611,64 30.371,65 12.119,66 34.708,67 16.992,68 0.432,69 2.045,70 42.148,71 15.184,72 52.848,73 21.491,74 0.48,75 2.121,76 46.064,77 15.495,78 73.918,79 22.334,80 0.509,81 1.916,82 40.68,83 14.314,84 89.054,85 19.511,86 0.366,87 2.064,88 42.097,89 16.472,90 63.561,91 22.908,92 0.328,93 2.17,94 45.436,95 18.506,96 58.504,97 26.153,98 0.266,99 2.083,100 44.214,101 17.989,102 49.708,103 25.992,104 49,105 54,106 0.214,107 0.486,108 0.661,109 0.775,110 0.793,111 0.798,112 3.561,113 1.017,114 -6.31,115 -6.14,116 -5.7,121 41.4,122 4,123 7,127 1,132 2,144 8,145 4,160 3,176 19,179 3,180 10,187 24,191 1,192 14,200 15,206 20,214 16,219 14,227 23,232 10,239 28,244 7,251 28,256 4,264 20,268 2,269 5,277 13,281 1970,282 22.515,283 22.515,284 22.515,285 22.515,286 22.515,287 20.737,288 19.637,289 13.18,290 22.755,291 18.217,292 18.217,293 18.217,294 18.217,295 18.217,296 15.367,297 25.787,298 6.164,299 18.612,300 4.768,301 3.041,302 1.926,303 1.201,304 1.086,305 1.058,306 4.249,312 1,313 919,314 4.528,317 202.547,318 237.149,325 1.893,326 33.066,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.83,335 1,336 0.83,337 72,338 432,339 4.716,340 4.199,341 7.718,342 4.567,343 3.593,344 4.117,345 2.021,346 14.285,347 3.497,348 4.466,349 3.783,350 6.689,351 4.158,352 3.194,353 3.936,354 1.674,355 10.81,356 3.107,357 4.134,358 3.222,359 6.41,360 3.989,361 3.012,362 3.517,363 1.358,364 10.009,365 2.899,366 3.94,367 3.066,368 6.217,369 3.659,370 2.694,371 3.147,372 0.69,373 9.136,374 2.608,375 3.706,376 2.875,377 5.642,378 3.439,379 2.456,380 2.843,381 0.239,382 7.416,383 2.397,384 3.499,385 2.827,386 5.283,387 3.161,388 2.165,389 2.72,391 6.63,392 2.147,393 3.202,394 2.569,395 5.126,396 2.82,397 1.824,398 2.42,400 5.357,401 1.806,402 3.134,403 1.965,404 4.48,405 2.692,406 1.689,407 2.219,409 4.273,410 1.686,411 2.646,412 1.613,413 4.021,414 2.384,415 1.389,416 1.698,418 3.048,419 1.379,420 2.539,421 1.47,422 3.783,423 2.317,424 1.336,425 1.5,427 2.802,428 1.306,429 2.5,430 1.327,431 3.643,432 2.155,433 1.155,434 1.495,436 2.633,437 1.152,438 2.475,439 1.262,440 3.618,441 2.031,442 1.033,443 1.451,445 2.57,446 1.02,447 2.392,448 1.116,449 3.573,450 2,451 1,452 1.382,454 2.275,455 1,456 1.874,457 1,458 3.414,459 1.618,460 0.618,461 0.639,463 1.464,464 0.618,465 1.618,466 0.738,467 3.2,468 1.554,469 0.538,470 0.618,472 1.297,473 0.541,474 16.3,475 0.479,476 1.036,477 0.03,478 37.25,479 1.096,480 16.5,481 0.485,482 20.75,483 0.61,484 38.524,485 1.133,486 37.7,487 0.539,488 29.954,489 0.881,490 6.475,491 0.19,492 9.747,493 0.287,494 0.164,495 0.061,496 0.239,501 0.66,502 1.311,503 0.893,504 1.182,505 0.583,506 1.081,507 0.605,508 1.121,509 0.82,510 1.032,511 0.478,512 0.96,513 1.26,514 1.137,515 1.065,516 1.056,517 0.889,518 1.037,519 1.351,520 0.876,521 0.899,522 0.809,523 1.376,524 0.791,525 1.942,526 0.994,527 1.237,528 0.968,529 2.17,530 1.013,531 1.152,532 1.082,533 1.16,534 1.115,535 1.142,536 1.134,537 0.741,538 1.083,539 1.072,540 1.132,541 0.835,542 1.143,543 0.445,544 1.101,545 0.989,546 1.136,547 0.545,548 1.13,549 8.5,550 0.256,551 4.444,552 3.361,553 2.014,554 1.504,555 0.958,556 0.551,557 0.34,558 0.348,559 16431,560 34418,561 2.028,562 51.4,563 11,564 10,568 2,569 13,572 1.76,573 1.872,574 3.581,575 -0.846,582 95.296,583 1.361,584 3.088,585 4.204,586 4.929,587 5.043,588 5.072,589 3.031,590 4.631,591 5.06,592 3.823,593 2144.85,594 8.874,595 33179.2,600 429.05,601 1.659,602 4.993,603 0.23,604 0.008,605 0.082,606 0.062,607 0.037,608 0.028,609 0.019,610 0.013,611 0.01,612 0.012,613 0.5,614 0.33,615 0.75,616 1.313,617 182.727,618 0.019,619 -0.109,620 0.058,621 -0.033,622 -0.035,623 0.008,624 0.259,625 -0.005,626 0.157,627 0.024,628 0.146,629 0.068,630 -0.053,631 -0.078,632 -0.05,633 -0.064,634 -0.009,635 -0.059,636 -0.069,637 0.144,638 0.129,639 0.133,640 -0.006,641 0.157,642 -0.278,643 0.069,644 -0.178,645 0.027,646 -0.191,647 -0.05,648 -0.137,649 -0.036,650 -0.175,651 -0.088,652 -0.069,653 -0.127,654 -0.049,655 -0.103,656 -0.125,657 -0.109,658 -0.056,659 -0.125,660 0.03,661 -0.152,662 -0.063,663 -0.132,664 -0.021,665 -0.113,666 1.992,667 6.39,668 0.618,669 36.526,670 0.989,671 1.124,672 5.076,673 25.768,674 0.647,675 3.638,676 4.007,677 4.263,678 4.564,679 4.754,680 4.836,681 4.956,682 5.037,683 5.088,684 5.187,685 7.724,686 0.602,687 460.67,688 3.638,689 5.209,690 6.066,691 6.978,692 7.861,693 8.778,694 9.673,695 10.593,696 11.494,697 12.415,698 2.9,705 1,707 1,715 8,720 4,722 12,732 1,741 70,743 15,744 2,745 37,747 73,748 29,749 12,750 4,751 8,752 1,756 4,757 4,763 4,767 4,768 1,770 7,772 15,773 14,774 2,777 3,782 2,785 1,786 3,793 36,794 5,796 5,802 2,804 1,808 0.75,809 3,828 2,829 2,844 1,859 3,864 4,868 34,876 8,878 1,881 1,882 2,893 4.3,896 2,898 1,901 18.167,902 13.817,903 7.389,904 4.772,907 2.848,908 1.357,909 0.939,910 7.166,911 10.835,912 3.85,913 4.394,914 4.905,915 5.441,916 5.915,917 6.122,918 6.5,919 6.845,920 7.181,921 7.457,922 1,923 54,924 12.73,926 5.473,927 0.026,929 7.637,931 24.803,933 20.927,936 2.137,937 72.667,941 423.76,942 157.924,943 19.91,945 61.29,948 157.924,949 485.049,950 19.91,951 35.301,952 22.972,953 75.81,954 64.514,955 40.528,957 423.76,959 423.76,960 177.834,961 61.29,964 270.735,965 214.314,968 75.058,969 102.776,972 423.76,973 81.2,974 157.924,977 423.76,978 46.814,979 114.235,981 78.075,982 423.76,983 81.2,984 157.924,986 0.587,987 0.331,988 0.187,989 0.102,990 26,991 12,992 0.123,993 9,995 1.048,996 4.34,997 320.975,999 22,1000 160.219,1005 24.512,1006 9.939,1007 5.4,1009 81.2,1010 15.663,1015 3.406,1018 662.884,1019 46,1024 26.143,1027 4.982,1028 0.803,1031 69.207,1032 78.683,1034 0.222,1035 0.504,1036 0.686,1037 0.804,1038 0.823,1039 0.827,1040 5.136,1041 1.689,1042 6.116,1043 5.357,1044 4.691,1045 5.081,1046 2.867,1047 7.024,1048 4.647,1049 6.357,1050 1.389,1051 7.743,1052 4.273,1053 4.575,1054 4.977,1055 1.912,1056 8.407,1057 4.489,1058 7.694,1059 1.336,1060 9.489,1061 3.048,1062 6.444,1063 7.198,1064 3.78,1065 11.454,1066 6.339,1067 9.068,1068 1.155,1069 11.308,1070 2.802,1071 7.14,1072 7.864,1073 3.412,1074 13.649,1075 6.994,1076 10.477,1077 1.033,1078 13.175,1079 2.633,1080 8.557,1081 9.623,1082 4.886,1083 16.353,1084 8.389,1085 11.909,1086 1,1087 15.076,1088 2.57,1089 9.576,1090 10.634,1091 4.859,1092 18.834,1093 9.373,1094 13.359,1095 0.618,1096 17.002,1097 2.275,1098 10.856,1099 12.206,1100 6.089,1101 21.473,1102 10.629,1103 3.593,1104 0.538,1105 18.946,1106 1.464,1107 12.006,1108 13.391,1109 6.291,1110 24.058,1111 11.748,1112 3.194,1113 14.285,1114 20.906,1115 1.297,1116 13.249,1117 14.875,1118 7.355,1119 26.695,1120 12.966,1121 3.012,1122 10.81,1123 22.879,1124 4.117,1125 14.454,1126 16.154,1127 7.714,1128 29.321,1129 14.142,1130 2.694,1131 10.009,1132 24.863,1133 3.936,1134 15.694,1135 17.594,1136 8.663,1137 31.965,1138 15.356,1139 2.456,1140 9.136,1141 26.855,1142 3.517,1143 16.925,1144 18.925,1145 9.132,1146 34.608,1147 16.56,1148 2.165,1149 7.416,1150 28.855,1151 3.147,1152 18.17,1153 20.344,1154 10.001,1155 37.258,1156 17.779,1157 1.824,1158 6.63,1159 30.862,1160 2.843,1161 19.415,1162 21.703,1163 10.545,1164 39.909,1165 18.997,1166 15919,1167 23215,1168 24.038,1169 45.319,1170 56.594,1171 58.097,1172 58.113,1173 55.847,1174 55.758,1175 67.812,1176 11.964,1177 168.653,1178 54.688,1179 5.697,1180 6.199,1181 7.578,1182 5.622,1183 5.593,1184 7.117,1185 3.695,1186 22.256,1187 5.497,1188 19.543,1189 1.53,1190 1.57,1191 1.571,1192 1.509,1193 1.507,1194 1.833,1195 0.323,1196 4.558,1197 1.478,1198 4.063,1199 4.096,1200 4.009,1201 3.99,1202 7.433,1203 3.989,1204 3.966,1205 3.997,1206 3.911,1207 3.85,1208 7.426,1209 3.858,1210 3.795,1211 3.825,1212 3.72,1213 3.717,1214 4.824,1215 3.712,1216 3.697,1217 3.754,1218 3.564,1219 3.556,1220 4.654,1221 3.545,1222 3.671,1223 3.732,1224 3.511,1225 3.54,1226 4.587,1227 3.527,1228 3.475,1229 3.542,1230 3.333,1231 3.288,1232 4.519,1233 3.293,1234 3.194,1235 3.221,1236 3.123,1237 3.011,1238 4.144,1239 3.02,1240 3.138,1241 3.191,1242 2.976,1243 2.966,1244 4.037,1245 2.973,1246 0.127,1247 0.113,1248 0.209,1249 0.123,1250 0.097,1251 4.716,1252 0.111,1253 4.199,1254 0.055,1255 7.718,1256 0.386,1257 4.567,1258 0.095,1259 3.593,1260 4.117,1261 2.021,1262 14.285,1263 3.497,1264 2.005,1265 1.987,1266 2.094,1267 2.071,1268 1.282,1269 2.079,1270 1.802,1271 1.774,1272 1.981,1273 1.933,1274 1.237,1275 1.943,1276 1.724,1277 1.665,1278 1.95,1279 1.891,1280 1.211,1281 1.915,1282 1.683,1283 1.631,1284 1.907,1285 1.849,1286 1.17,1287 1.871,1288 1.617,1289 1.577,1290 1.86,1291 1.776,1292 1.119,1293 1.793,1294 1.577,1295 1.507,1296 1.792,1297 1.751,1298 1.039,1299 1.782,1300 1.393,1301 1.324,1302 1.629,1303 1.617,1304 0.809,1305 1.621,1306 1.146,1307 1.083,1308 1.448,1309 1.357,1310 0.653,1311 1.397,1312 4.317,1314 5.673,1315 3.045,1316 7.215,1317 5.476,1318 8.843,1319 7.644,1320 10.521,1322 7.78,1328 7.42,1330 5.604,1333 1.921,1334 -1.056,1340 42.143,1341 95.296,1342 216.179,1343 294.256,1344 345.011,1345 353.011,1346 355.011,1347 80.352,1348 7.987,1349 58.97,1350 58.97,1351 22,1352 12.927,1353 4,1354 3.322,1355 56.973,1356 162,1357 143,1358 0.175,1359 258.606,1360 463.63,1361 622.757,1362 33990,1364 24.347,1365 0.716,1366 0.615,1367 24.347,1368 20.895,1369 16.222,1370 0.438,1371 0.339,1372 12.451,1373 15.818,1374 11.976,1375 10.028,1376 16.222,1377 12.547,1378 15.499,1379 0.287,1380 0.195,1381 15.499,1382 10.506,1383 12.053,1384 0.172,1385 0.095,1386 12.053,1387 6.634,1388 10.474,1389 0.11,1390 0.052,1391 10.474,1392 4.916,1393 8.085,1394 0.07,1395 0.028,1396 8.085,1397 3.236,1398 0.277,1399 100.167,1400 0.204,1401 31.437,1402 0.472,1403 182,1404 452.497,1405 196.601,1406 438.844,1407 605.25,1408 410,1409 215,1410 453.883,1411 229.55,1412 460.824,1413 679.74,1414 433,1415 6.571}
{0 CHEMBL115897,1 1.875,2 4.667,3 1.419,4 2.013,5 46.317,6 14.127,7 0.462,8 2.948,9 3.007,10 3.045,11 2.658,12 4.269,13 2.655,14 3.397,15 3.46,16 3.527,17 3.046,18 4.817,19 3.027,20 3.587,21 3.68,22 3.54,23 3.03,24 5.263,25 2.984,26 3.329,27 3.469,28 3.237,29 2.69,30 4.752,31 2.607,32 2.907,33 3.029,34 3.363,35 2.087,36 4.609,37 2.066,38 1.818,39 1.865,40 2.365,41 1.027,42 3.611,43 0.97,56 0.087,57 0.197,58 1.86,59 1.043,60 10.913,61 0.878,62 0.161,63 0.306,64 3.87,65 1.822,66 20.399,67 1.654,68 0.329,69 0.357,70 17.548,71 3.197,72 53.236,73 2.596,74 0.234,75 0.282,76 12.404,77 2.655,78 32.335,79 2.227,80 0.231,81 0.156,82 6.622,83 2.091,84 35.661,85 1.456,86 0.107,87 0.035,88 7.176,89 1.002,90 14.954,91 0.368,104 10,105 19,106 0.42,107 0.736,108 0.83,109 0.897,110 0.897,111 0.897,112 2.603,113 0.953,114 -2.94,115 -2.95,116 -2.85,119 1,121 50,144 3,145 1,146 2,159 1,160 1,176 2,180 1,183 1,185 2,187 4,191 1,192 2,195 1,197 2,200 4,206 3,219 3,224 1,232 1,281 92,282 7.793,283 7.793,284 7.793,285 7.793,286 7.793,287 6.833,288 9.65,289 4.42,290 7.962,291 6.379,292 6.379,293 6.379,294 6.379,295 6.379,296 4.803,297 12.325,298 2.093,299 6.681,300 2.125,301 0.719,302 0.297,306 3.225,312 1,313 116,314 1.581,317 20.023,318 24.29,321 37.456,325 0.722,326 16.906,329 1,330 0.83,331 1,332 0.4,334 1,335 1,336 0.75,337 26.25,338 56,339 4.498,340 3.885,341 6.662,342 4.165,343 3.163,344 4.105,345 1.058,346 10.634,347 3.168,348 3.758,349 2.98,350 5.43,351 3.291,352 2.348,353 3.156,355 6.628,356 2.213,357 3.303,358 2.818,359 4.954,360 2.846,361 1.91,362 2.554,364 5.651,365 1.693,366 3.025,367 2.454,368 4.684,369 2.625,370 1.628,371 2.134,373 4.7,374 1.552,375 2.376,376 1.353,377 3.477,378 1.825,379 0.797,380 1.164,382 1.958,383 0.803,384 1.466,385 0.817,386 2.484,387 0.968,393 0.711,394 0.199,395 2.287,396 0.241,397 -0.667,398 -0.866,400 -1.632,401 -0.46,402 0.689,403 -0.13,404 2.253,405 0.196,406 -0.797,407 -1.119,409 -2.286,410 -0.804,411 0.2,412 -0.874,413 1.606,414 -0.244,415 -1.241,416 -1.645,418 -3.192,419 -1.07,420 -0.139,421 -1.094,422 1.271,423 -0.644,424 -1.45,425 -2,427 -3.924,428 -1.503,429 -0.5,430 -1.522,431 1.121,432 -0.794,433 -1.786,434 -2.201,436 -5.391,437 -1.746,438 -0.579,439 -1.806,440 1.076,441 -0.976,442 -1.906,443 -2.282,445 -6.275,446 -1.848,447 -0.809,448 -2,449 0.696,450 -1,451 -2,452 -3,453 -1.058,454 -6.872,455 -2,474 6.4,475 0.533,476 0.404,477 0.034,478 17,479 1.417,480 9.5,481 0.792,482 7.5,483 0.625,484 6.868,485 0.572,486 11.6,487 0.725,488 8.787,489 0.732,490 3.222,491 0.269,492 2.459,493 0.205,494 0.313,496 0.391,501 0.629,502 0.922,503 0.452,504 0.535,505 0.538,506 0.573,507 0.575,508 1.088,509 0.563,510 0.705,511 0.591,512 0.795,513 0.854,514 1.045,515 1.082,516 1.098,517 0.806,518 1.169,519 1.195,520 1.028,521 1.024,522 1.031,523 1.079,524 1.191,525 1.681,526 0.918,527 1.396,528 1.262,529 1.938,530 0.922,531 2.838,532 0.503,533 3.988,534 3.011,535 3.269,536 1.946,549 3,551 1.778,552 1.326,553 0.568,554 0.278,559 736,560 3581,561 1.991,562 25,564 3,567 1,572 1.463,573 1.8,574 2.334,575 -0.083,582 30,583 1.875,584 3.281,585 3.703,586 4,587 4,588 4,589 1.784,590 3.189,591 3.562,592 2.301,593 151.898,594 5.88,595 1046.68,597 1,600 64,601 1.555,602 3.478,603 0.231,605 0.094,606 0.078,607 0.057,608 0.046,613 0.506,614 1,615 1,616 0.799,617 40.491,618 -0.084,619 0.062,620 -0.005,621 0.053,622 -0.055,623 0.066,624 0.063,625 -0.145,626 -0.003,627 -0.04,628 0.003,629 -0.093,630 0.089,631 -0.115,632 -0.154,633 -0.171,634 0.138,635 -0.247,636 -0.251,637 -0.088,638 -0.079,639 -0.028,640 -0.144,641 -0.086,642 -0.16,643 -0.024,644 0.103,645 0.1,646 -0.307,647 0.37,648 -0.604,649 0.273,650 -0.624,651 -0.784,652 -0.84,653 -0.525,666 2.219,667 4.116,668 0.75,669 4.444,670 1.047,671 1.099,672 1.712,673 2.932,674 0.799,675 2.639,676 2.996,677 3.258,678 3.497,679 3.638,680 3.466,681 3.367,682 3.219,683 2.079,684 0.693,685 2.985,686 0.783,687 226.03,688 2.639,689 4.174,690 5.03,691 5.922,692 6.801,693 7.694,694 8.58,695 9.472,696 10.361,697 11.253,698 6.3,705 1,715 3,720 3,722 6,727 1,740 1,741 16,743 8,744 1,745 13,746 1,747 17,748 8,749 6,750 3,751 3,752 2,756 2,757 3,772 8,777 2,782 2,786 2,793 4,794 3,795 1,796 4,797 1,802 1,808 0.5,809 2,828 1,829 1,832 1,843 1,859 1,863 1,868 12,877 1,892 1,893 12.5,896 2,901 6.667,902 2.976,903 2.583,904 0.876,907 1.53,908 1.281,909 1.009,910 1.598,911 6.969,912 2.944,913 3.541,914 4.099,915 4.594,916 5.09,917 5.123,918 5.272,919 5.316,920 4.467,921 3.446,922 1,923 17,924 4.413,925 0.006,926 1.948,927 0.026,929 8.299,931 7.986,932 0.003,933 6.523,934 -0.002,936 2.799,937 33.583,938 0.005,941 35.313,942 47.264,943 63.965,945 50.29,948 93.218,949 85.603,950 18.011,952 18.011,953 28.429,954 60.128,955 8.997,957 35.313,958 45.954,959 35.313,960 65.275,961 50.29,963 45.954,964 35.313,965 50.29,968 18.011,969 47.264,971 45.954,972 35.313,973 68.301,974 93.218,977 35.313,978 18.836,979 28.429,980 63.965,981 50.29,982 35.313,983 68.301,984 93.218,986 0.6,987 0.356,988 0.185,989 0.103,990 11,991 5,994 1,995 1.222,996 2.34,997 72.835,998 0.222,999 9,1000 43.02,1005 7.651,1006 2.507,1007 1.129,1009 68.301,1010 5.107,1015 1.827,1017 18.011,1018 196.832,1019 18,1024 21.982,1028 -1.019,1031 16.753,1032 17.589,1034 0.469,1035 0.82,1036 0.926,1037 1,1038 1,1039 1,1040 4.182,1041 -0.797,1042 5.056,1043 -1.632,1044 3.664,1045 4.22,1046 1.176,1047 5.9,1048 3.6,1049 5.417,1050 -1.241,1051 6.648,1052 -2.286,1053 3.434,1054 4.182,1056 6.855,1057 3.328,1058 6.746,1059 -1.45,1060 8.336,1061 -3.192,1062 5.293,1063 6.407,1064 1.255,1065 9.964,1066 5.215,1067 8.108,1068 -1.786,1069 10.078,1070 -3.924,1071 5.832,1072 7.116,1074 11.743,1075 5.76,1076 9.5,1077 -1.906,1078 11.854,1079 -5.391,1080 7.241,1081 8.884,1082 1.338,1083 14.386,1084 7.18,1085 10.914,1086 -2,1087 13.655,1088 -6.275,1089 8.128,1090 9.94,1092 16.518,1093 8.088,1094 12.345,1096 15.474,1097 -6.872,1098 9.37,1099 11.521,1100 1.422,1101 18.99,1102 9.335,1103 3.163,1105 17.309,1107 10.41,1108 12.749,1110 21.264,1111 10.393,1112 2.348,1113 10.634,1114 19.156,1116 11.591,1117 14.245,1118 1.51,1119 23.67,1120 11.578,1121 1.91,1122 6.628,1123 21.013,1124 4.105,1125 12.696,1126 15.56,1128 25.999,1129 12.694,1130 1.628,1131 5.651,1132 22.878,1133 3.156,1134 13.855,1135 17.015,1136 1.599,1137 28.38,1138 13.858,1139 0.797,1140 4.7,1141 24.75,1142 2.554,1143 14.987,1144 18.375,1146 30.731,1147 14.996,1149 1.958,1150 26.626,1151 2.134,1152 16.14,1153 19.809,1154 1.69,1155 33.101,1156 16.152,1157 -0.667,1159 28.507,1160 1.164,1161 17.283,1162 21.193,1164 35.46,1165 17.3,1166 804,1167 1817,1168 8.266,1169 12.79,1170 20.24,1171 22.079,1172 21.182,1173 19.902,1174 19.694,1175 26.226,1176 2.117,1177 59.142,1178 18.86,1179 5.308,1180 5.885,1181 5.966,1182 5.165,1183 5.163,1184 7.105,1185 2.117,1186 17.506,1187 5.168,1188 6.1,1189 1.557,1190 1.698,1191 1.629,1192 1.531,1193 1.515,1194 2.017,1195 0.163,1196 4.549,1197 1.451,1198 3.999,1199 4.015,1200 6.88,1201 3.929,1202 7.499,1203 3.926,1204 3.444,1205 3.449,1206 3.922,1207 3.298,1208 7.352,1209 3.306,1210 2.94,1211 2.987,1212 3.299,1213 2.83,1214 4.722,1215 2.802,1216 2.618,1217 2.604,1218 2.808,1219 2.498,1220 3.972,1221 2.49,1222 2.497,1223 2.54,1224 2.424,1225 2.114,1226 3.62,1227 2.177,1228 1.92,1229 1.984,1230 2.371,1231 1.729,1232 3.187,1233 1.571,1234 1.546,1235 1.638,1236 1.593,1237 1.311,1238 2.502,1239 1.273,1240 1.361,1241 1.512,1242 0.882,1243 0.957,1244 2.196,1245 0.922,1246 0.346,1247 0.299,1248 0.512,1249 0.32,1250 0.243,1251 4.498,1252 0.316,1253 3.885,1254 0.081,1255 6.662,1256 0.818,1257 4.165,1258 0.244,1259 3.163,1260 4.105,1261 1.058,1262 10.634,1263 3.168,1264 1.872,1265 1.857,1266 1.923,1267 1.933,1268 1.083,1269 1.943,1270 1.367,1271 1.364,1272 1.426,1273 1.65,1274 0.348,1275 1.578,1276 0.932,1277 0.906,1278 1.08,1279 1.122,1280 0.158,1281 1.112,1282 0.774,1283 0.726,1284 0.95,1285 0.947,1286 0.005,1287 0.979,1288 0.001,1290 0.457,1291 0.417,1293 0.406,1296 0.071,1297 0.304,1299 0.228,1312 3.296,1314 4.635,1315 2.398,1316 6.168,1317 4.844,1318 7.786,1319 7.002,1320 9.451,1321 3.221,1329 2.465,1340 12.53,1341 30,1342 52.49,1343 59.245,1344 64,1345 64,1346 64,1347 18.019,1348 5.438,1349 49.93,1350 49.93,1351 11,1352 11.781,1353 3.17,1354 2.585,1355 17,1356 22,1357 18,1358 0.443,1359 84.786,1360 146,1361 198.638,1362 1086,1363 6.3,1364 8.715,1365 0.726,1366 0.626,1367 9.715,1368 7.513,1369 5.682,1370 0.437,1371 0.318,1372 3.339,1373 4.918,1374 3.237,1375 2.647,1376 6.259,1377 4.128,1378 5.414,1379 0.285,1380 0.178,1381 6.231,1382 3.389,1383 4.558,1384 0.182,1385 0.087,1386 5.082,1387 2.174,1388 3.538,1389 0.111,1390 0.046,1391 3.977,1392 1.476,1393 2.859,1394 0.077,1395 0.028,1396 3.48,1397 1.032,1398 0.619,1399 44.024,1400 0.348,1401 11.632,1402 1.442,1403 64,1404 240.458,1405 136.243,1406 266.275,1407 339.97,1408 244,1409 76,1410 212.26,1411 110.913,1412 226.79,1413 333.14,1414 213,1415 4}
{0 CHEMBL116040,1 1.875,2 4.667,3 0.876,4 0.767,5 38.911,6 10.321,7 0.462,8 2.963,9 3.032,10 2.768,11 2.554,12 4.384,13 2.609,14 3.416,15 3.491,16 3.173,17 2.902,18 4.974,19 2.963,20 3.617,21 3.734,22 3.156,23 2.821,24 5.407,25 2.899,26 3.358,27 3.518,28 2.701,29 2.43,30 4.932,31 2.493,32 2.96,33 3.11,34 2.411,35 1.633,36 5.069,37 1.842,38 1.917,39 2.036,40 1.243,41 0.477,42 4.369,43 0.698,56 0.141,57 0.295,58 1.045,59 1.295,60 24.433,61 0.952,62 0.251,63 0.466,64 1.748,65 2.145,66 41.956,67 1.73,68 0.489,69 0.519,70 4.48,71 2.682,72 93.424,73 2.125,74 0.367,75 0.383,76 4.416,77 2.137,78 67.44,79 1.814,80 0.382,81 0.251,82 4.095,83 1.338,84 74.824,85 1.151,86 0.215,87 0.077,88 1.635,89 0.4,90 46.437,91 0.076,104 10,105 19,106 0.42,107 0.736,108 0.83,109 0.897,110 0.897,111 0.897,112 2.603,113 0.77,114 -2.63,115 -2.65,116 -2.58,121 50,144 3,145 1,146 2,159 1,160 1,176 2,180 1,183 1,185 2,187 2,191 1,192 2,195 1,197 2,200 2,206 3,219 2,281 92,282 7.793,283 7.793,284 7.793,285 7.793,286 7.793,287 6.833,288 9.634,289 4.42,290 7.86,291 6.379,292 6.379,293 6.379,294 6.379,295 6.379,296 4.803,297 12.311,298 2.093,299 6.479,300 2.125,301 0.719,302 0.297,306 3.225,312 1,313 116,314 1.581,317 20.023,318 24.29,321 37.456,325 0.722,326 24.601,329 1,330 0.67,331 0.83,332 0.4,334 1,335 1,336 0.7,337 28,338 56,339 4.498,340 3.885,341 6.662,342 4.167,343 3.163,344 4.105,345 1.058,346 10.634,347 3.174,348 3.758,349 2.986,350 5.43,351 3.327,352 2.348,353 3.156,355 6.628,356 2.291,357 3.303,358 2.823,359 4.954,360 2.884,361 1.91,362 2.554,364 5.651,365 1.829,366 3.025,367 2.458,368 4.684,369 2.631,370 1.628,371 2.134,373 4.7,374 1.619,375 2.376,376 1.353,377 3.477,378 1.828,379 0.797,380 1.164,382 1.958,383 0.812,384 1.466,385 0.821,386 2.484,387 1.007,393 0.711,394 0.203,395 2.287,396 0.288,397 -0.667,398 -0.866,400 -1.632,401 -0.618,402 0.689,403 -0.127,404 2.253,405 0.223,406 -0.797,407 -1.119,409 -2.286,410 -0.807,411 0.2,412 -0.873,413 1.606,414 -0.216,415 -1.241,416 -1.645,418 -3.192,419 -1.182,420 -0.139,421 -1.092,422 1.271,423 -0.495,424 -1.45,425 -2,427 -3.924,428 -1.516,429 -0.5,430 -1.522,431 1.121,432 -0.788,433 -1.786,434 -2.201,436 -5.391,437 -1.749,438 -0.579,439 -1.806,440 1.076,441 -0.957,442 -1.906,443 -2.282,445 -6.275,446 -1.856,447 -0.809,448 -2,449 0.696,450 -1,451 -2,452 -3,453 -1.058,454 -6.872,455 -2,474 5.352,475 0.446,476 0.404,477 0.034,478 17.25,479 1.438,480 9.5,481 0.792,482 7.75,483 0.646,484 5.269,485 0.439,486 12.648,487 0.79,488 10.387,489 0.866,490 3.625,491 0.302,492 2.057,493 0.171,494 0.178,496 0.467,499 1,501 0.595,502 0.822,503 0.524,504 0.805,505 0.55,506 0.688,507 0.613,508 0.998,509 0.6,510 1.061,511 0.614,512 0.954,513 1,514 1.02,515 1.086,516 1.063,517 0.983,518 1.102,519 1.183,520 1.075,521 1.287,522 1.172,523 1.135,524 1.237,525 1.383,526 0.996,527 1.116,528 0.943,529 1.552,530 0.899,531 2.75,532 1.158,533 2.803,534 0.045,535 2.741,536 0.718,549 3,551 1.778,552 1.326,553 0.568,554 0.278,559 736,560 3581,561 1.991,562 25,564 3,567 1,572 1.463,573 1.8,574 2.334,575 -0.083,582 30,583 1.875,584 3.281,585 3.703,586 4,587 4,588 4,589 1.784,590 3.189,591 3.562,592 2.301,593 151.898,594 5.88,595 1046.68,600 64,601 1.555,602 3.478,603 0.231,605 0.094,606 0.078,607 0.057,608 0.046,613 0.506,614 1,615 1,616 0.799,617 40.491,618 -0.062,619 0.004,620 -0.022,621 0.067,622 -0.043,623 0.077,624 0.016,625 -0.159,626 0.001,627 -0.182,628 -0.001,629 -0.157,630 -0.067,631 -0.088,632 -0.159,633 -0.134,634 -0.05,635 -0.175,636 -0.251,637 -0.205,638 -0.153,639 -0.223,640 -0.209,641 -0.151,642 0.097,643 0.058,644 0.365,645 0.071,646 -0.022,647 0.231,648 -0.104,649 0.831,650 -1.05,651 1.144,652 -0.02,653 0.208,666 2.365,667 4.571,668 0.75,669 4.444,670 1.065,671 1.13,672 1.402,673 1.966,674 0.711,675 2.639,676 2.996,677 3.258,678 3.497,679 3.638,680 3.466,681 3.367,682 3.219,683 2.079,684 0.693,685 2.985,686 0.743,687 165.13,688 2.639,689 4.174,690 5.03,691 5.922,692 6.801,693 7.694,694 8.58,695 9.472,696 10.361,697 11.253,698 6.3,705 1,715 3,720 3,722 6,727 1,740 1,741 16,743 8,744 1,745 13,747 17,748 8,749 6,750 3,751 3,752 2,756 2,757 3,772 8,777 2,782 2,786 2,791 1,793 4,794 4,795 1,796 4,802 1,808 0.5,809 2,828 1,829 1,832 1,843 1,859 1,866 1,868 12,877 1,892 1,893 12.5,896 2,901 6.667,902 2.976,903 2.583,904 0.876,907 1.53,908 1.281,909 1.003,910 1.323,911 6.969,912 2.944,913 3.541,914 4.099,915 4.594,916 5.09,917 5.123,918 5.272,919 5.316,920 4.467,921 3.446,922 1,923 17,924 4.44,925 0.006,926 2.033,927 0.026,929 8.736,931 7.736,932 0.003,933 6.33,934 -0.002,936 3.236,937 38.833,938 0.003,941 35.313,942 53.33,943 18.011,945 50.29,946 14.96,948 53.33,949 85.603,950 32.971,952 18.011,953 28.429,954 60.128,955 15.063,956 14.96,957 35.313,959 35.313,960 71.341,961 65.25,964 50.273,965 50.29,968 18.011,969 53.33,972 50.273,973 68.301,974 53.33,977 35.313,978 24.901,979 28.429,980 18.011,981 65.25,982 35.313,983 83.261,984 53.33,986 0.6,987 0.356,988 0.185,989 0.103,990 11,991 5,994 1,995 1.222,996 2.34,997 72.835,998 0.222,999 9,1000 43.02,1005 7.135,1006 2.225,1007 0.972,1009 83.261,1010 3.612,1015 -0.023,1017 18.011,1018 171.904,1019 18,1024 21.729,1028 -1.375,1031 17.036,1032 18.087,1034 0.469,1035 0.82,1036 0.926,1037 1,1038 1,1039 1,1040 4.182,1041 -0.797,1042 5.056,1043 -1.632,1044 3.664,1045 4.22,1046 1.176,1047 5.9,1048 3.642,1049 5.417,1050 -1.241,1051 6.648,1052 -2.286,1053 3.434,1054 4.182,1056 6.855,1057 3.41,1058 6.746,1059 -1.45,1060 8.336,1061 -3.192,1062 5.293,1063 6.407,1064 1.255,1065 9.964,1066 5.266,1067 8.108,1068 -1.786,1069 10.078,1070 -3.924,1071 5.832,1072 7.116,1074 11.743,1075 5.821,1076 9.5,1077 -1.906,1078 11.854,1079 -5.391,1080 7.241,1081 8.884,1082 1.338,1083 14.386,1084 7.225,1085 10.914,1086 -2,1087 13.655,1088 -6.275,1089 8.128,1090 9.94,1092 16.518,1093 8.132,1094 12.345,1096 15.474,1097 -6.872,1098 9.37,1099 11.521,1100 1.422,1101 18.99,1102 9.372,1103 3.163,1105 17.309,1107 10.41,1108 12.749,1110 21.264,1111 10.428,1112 2.348,1113 10.634,1114 19.156,1116 11.591,1117 14.245,1118 1.51,1119 23.67,1120 11.61,1121 1.91,1122 6.628,1123 21.013,1124 4.105,1125 12.696,1126 15.56,1128 25.999,1129 12.725,1130 1.628,1131 5.651,1132 22.878,1133 3.156,1134 13.855,1135 17.015,1136 1.599,1137 28.38,1138 13.888,1139 0.797,1140 4.7,1141 24.75,1142 2.554,1143 14.987,1144 18.375,1146 30.731,1147 15.027,1149 1.958,1150 26.626,1151 2.134,1152 16.14,1153 19.809,1154 1.69,1155 33.101,1156 16.184,1157 -0.667,1159 28.507,1160 1.164,1161 17.283,1162 21.193,1164 35.46,1165 17.332,1166 804,1167 1817,1168 8.266,1169 11.375,1170 20.24,1171 22.091,1172 21.182,1173 19.781,1174 19.694,1175 26.226,1176 2.117,1177 59.142,1178 19.452,1179 5.308,1180 5.885,1181 5.966,1182 5.167,1183 5.163,1184 7.105,1185 2.117,1186 17.506,1187 5.174,1188 6.1,1189 1.557,1190 1.699,1191 1.629,1192 1.522,1193 1.515,1194 2.017,1195 0.163,1196 4.549,1197 1.496,1198 4.003,1199 4.022,1200 3.976,1201 3.904,1202 8.201,1203 3.917,1204 3.455,1205 3.468,1206 3.427,1207 3.244,1208 7.499,1209 3.286,1210 2.947,1211 2.998,1212 2.865,1213 2.775,1214 7.352,1215 2.782,1216 2.64,1217 2.639,1218 2.634,1219 2.416,1220 4.619,1221 2.456,1222 2.498,1223 2.546,1224 2.382,1225 2.093,1226 3.781,1227 2.172,1228 1.949,1229 2.015,1230 1.822,1231 1.379,1232 3.597,1233 1.451,1234 1.644,1235 1.799,1236 1.406,1237 1.027,1238 2.811,1239 1.076,1240 1.364,1241 1.52,1242 0.881,1243 0.938,1244 2.198,1245 0.918,1246 0.346,1247 0.299,1248 0.512,1249 0.321,1250 0.243,1251 4.498,1252 0.316,1253 3.885,1254 0.081,1255 6.662,1256 0.818,1257 4.167,1258 0.244,1259 3.163,1260 4.105,1261 1.058,1262 10.634,1263 3.174,1264 1.867,1265 1.848,1266 1.947,1267 1.959,1268 1.06,1269 1.955,1270 1.367,1271 1.363,1272 1.426,1273 1.65,1274 0.347,1275 1.578,1276 0.92,1277 0.88,1278 1.084,1279 1.17,1280 0.126,1281 1.13,1282 0.77,1283 0.718,1284 0.993,1285 0.98,1287 0.997,1290 0.461,1291 0.445,1293 0.42,1296 0.073,1297 0.332,1299 0.23,1303 0.059,1305 0.008,1312 3.296,1314 4.635,1315 2.398,1316 6.168,1317 4.844,1318 7.786,1319 7.002,1320 9.451,1324 12.571,1329 2.319,1340 11.888,1341 30,1342 52.49,1343 59.245,1344 64,1345 64,1346 64,1347 23.005,1348 5.438,1349 49.93,1350 49.93,1351 11,1352 11.781,1353 3.17,1354 2.585,1355 17,1356 22,1357 18,1358 0.443,1359 74.07,1360 132.79,1361 172.492,1362 1086,1363 6.3,1364 8.715,1365 0.726,1366 0.494,1367 7.845,1368 5.927,1369 5.682,1370 0.437,1371 0.257,1372 3.265,1373 5.373,1374 3.237,1375 2.647,1376 5.288,1377 3.335,1378 5.414,1379 0.285,1380 0.13,1381 4.78,1382 2.473,1383 4.558,1384 0.182,1385 0.067,1386 4.215,1387 1.681,1388 3.538,1389 0.111,1390 0.035,1391 3.335,1392 1.115,1393 2.859,1394 0.077,1395 0.018,1396 2.483,1397 0.672,1398 0.619,1399 36.518,1400 0.348,1401 11.632,1402 1.442,1403 64,1404 307.915,1405 74.203,1406 266.275,1407 339.97,1408 244,1409 76,1410 231.86,1411 85.56,1412 226.79,1413 333.14,1414 213,1415 4}
{0 CHEMBL116649,1 2.02,2 6.375,3 2.79,4 7.786,5 46.268,6 11.557,7 0.353,8 3.215,9 3.267,10 3.08,11 2.667,12 4.673,13 2.791,14 3.769,15 3.827,16 3.643,17 3.006,18 6.003,19 3.141,20 3.763,21 3.85,22 3.391,23 3.002,24 5.491,25 3.103,26 3.713,27 3.836,28 3.26,29 2.794,30 5.404,31 2.927,32 3.657,33 3.805,34 3.12,35 2.344,36 5.522,37 2.613,38 3.128,39 3.228,40 2.803,41 1.805,42 5.081,43 2.191,44 2.917,45 2.979,46 2.946,47 1.34,48 5.631,49 1.913,50 2.389,51 2.503,52 2.044,53 0.586,54 5.263,55 1.064,56 0.394,57 0.514,58 0.431,59 1.82,60 67.193,61 1.008,62 1.012,63 0.941,64 2.289,65 2.966,66 145.196,67 1.786,68 0.787,69 0.614,70 2.651,71 3.075,72 127.758,73 2.225,74 0.828,75 0.67,76 3.446,77 3.022,78 128.127,79 2.273,80 1.039,81 0.596,82 7.097,83 2.709,84 177.832,85 1.826,86 0.606,87 0.49,88 2.907,89 1.442,90 105.441,91 0.412,92 0.426,93 0.388,94 1.185,95 0.8,96 98.53,97 0.218,98 0.394,99 0.088,100 2.32,101 0.545,102 86.775,103 0.151,104 28,105 26,106 0.43,107 0.746,108 0.818,109 0.869,110 0.869,111 0.869,112 2.854,113 0.727,114 -2.43,115 -2.46,116 -2.41,121 45,135 1,144 3,145 1,146 2,159 1,160 1,176 2,180 3,183 1,185 2,187 2,191 1,192 4,195 1,197 2,200 2,206 3,218 1,219 2,222 1,231 1,281 206,282 9.895,283 9.895,284 9.895,285 9.895,286 9.895,287 8.987,288 13.195,289 5.521,290 10.339,291 8.383,292 8.383,293 8.383,294 8.383,295 8.383,296 6.841,297 17.031,298 2.645,299 9.208,300 2.302,301 0.813,302 0.475,303 0.238,304 0.238,305 0.238,306 3.49,311 1,312 1,313 208,314 3.082,317 33.068,318 37.585,321 59.227,325 1.125,326 39.641,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 40,338 102,339 4.507,340 4.437,341 6.667,342 4.175,343 3.197,344 4.112,345 4.032,346 10.672,347 3.178,348 4.152,349 3.884,350 6.449,351 3.873,352 3.096,353 3.302,354 1.058,355 10.161,356 2.439,357 3.71,358 2.929,359 5.451,360 3.299,361 2.328,362 2.975,363 0.394,364 6.859,365 2.176,366 3.291,367 2.746,368 5.107,369 2.887,370 1.913,371 2.522,373 5.94,374 1.824,375 3.025,376 2.38,377 4.711,378 2.633,379 1.63,380 2.134,382 4.769,383 1.622,384 2.377,385 1.352,386 3.478,387 1.831,388 0.802,389 1.167,391 1.974,392 0.816,393 1.519,394 0.854,395 3.161,396 1.094,397 0.123,398 0.158,400 0.319,401 0.115,402 0.876,403 0.51,404 2.446,405 0.527,406 -0.424,407 -0.546,409 -1.184,410 -0.4,411 0.7,412 0.51,413 2.281,414 0.229,415 -0.793,416 -1,418 -2.223,419 -0.7,420 0.406,421 0.373,422 2.227,423 -0.026,424 -1,425 -1,427 -2.879,428 -0.7,429 0.079,430 -0.017,431 2,432 -0.296,433 -1,434 -1.091,436 -3,437 -0.802,439 -0.611,440 2,441 -0.3,442 -1,443 -1.337,445 -3,446 -0.956,448 -0.913,449 1.671,450 -0.3,451 -1.362,452 -1.851,454 -3.774,455 -1.417,456 -0.5,457 -1.234,458 1.293,459 -0.778,460 -1.758,461 -2,462 -1.058,463 -5.391,464 -1.573,465 -0.578,466 -1.535,467 1.244,468 -0.884,469 -1.791,470 -2.204,471 -1.406,472 -5.956,473 -1.753,474 6.757,475 0.422,476 0.72,477 0.045,478 20.75,479 1.297,480 10,481 0.625,482 10.75,483 0.672,484 8.791,485 0.549,486 18.443,487 0.922,488 15.768,489 0.986,490 4.463,491 0.279,492 2.903,493 0.181,494 0.226,495 0.074,496 0.37,500 3,501 0.725,502 0.876,503 0.5,504 1.009,505 0.686,506 0.788,507 0.277,508 0.458,509 0.449,510 0.774,511 0.361,512 0.893,513 0.665,514 0.64,515 0.873,516 1.04,517 0.588,518 1.207,519 0.933,520 0.987,521 1.046,522 1.29,523 0.82,524 1.374,525 1.637,526 1.265,527 1.616,528 0.967,529 1.671,530 0.971,531 2.144,532 1.894,533 1.714,534 1.058,535 2.21,536 0.746,537 1.243,538 1.85,539 0.491,540 1.141,541 1.549,542 0.587,543 1.836,544 1.531,545 2.33,546 0.058,547 1.723,548 0.466,549 5.5,551 2,552 1.826,553 0.848,554 0.535,555 0.432,556 0.216,559 1712,560 10505,561 1.909,562 20,564 3,567 1,572 1.552,573 1.699,574 2.695,575 -0.046,579 1,582 40.399,583 2.02,584 3.509,585 3.846,586 4.084,587 4.084,588 4.084,589 2.203,590 2.406,591 3.974,592 2.829,593 339.466,594 6.694,595 2885.16,597 1,600 86.439,601 1.823,602 3.859,603 0.324,605 0.077,606 0.083,607 0.047,608 0.038,609 0.043,610 0.022,613 0.634,614 0.83,615 1,616 1.274,617 63.498,618 -0.092,619 -0.06,620 -0.026,621 -0.044,622 -0.096,623 0.029,624 0.601,625 0.535,626 0.22,627 0.202,628 0.443,629 -0.098,630 0.005,631 -0.047,632 -0.037,633 -0.134,634 0.055,635 -0.171,636 -0.151,637 -0.28,638 0.014,639 -0.366,640 -0.064,641 -0.223,642 -0.501,643 -0.26,644 -0.234,645 -0.007,646 -0.518,647 0.207,648 -0.847,649 -0.586,650 -0.613,651 -0.085,652 -0.857,653 0.078,654 0.365,655 -0.059,656 0.432,657 -0.229,658 0.269,659 -0.236,660 0.198,661 0.413,662 -0.67,663 0.994,664 0.574,665 0.325,666 6.076,667 4.166,668 0.563,669 9,670 1.114,671 1.17,672 1.202,673 1.444,674 0.673,675 2.89,676 3.296,677 3.434,678 3.714,679 3.85,680 3.85,681 3.989,682 3.97,683 3.555,684 3.091,685 4.081,686 0.745,687 231.14,688 2.89,689 4.466,690 5.293,691 6.209,692 7.06,693 7.973,694 8.838,695 9.747,696 10.62,697 11.526,698 5,705 1,715 3,720 3,722 6,727 1,739 1,741 20,743 8,744 1,745 17,747 21,748 9,749 6,750 3,751 3,752 2,756 2,757 3,772 8,773 1,777 2,782 2,786 2,791 3,793 4,794 7,795 1,796 7,802 1,808 0.5,809 3,828 1,829 1,832 1,843 1,859 1,866 3,868 16,877 1,878 1,882 1,892 3,893 15,896 2,898 1,901 9.417,902 3.679,903 3.292,904 1.031,907 1.483,908 1.249,909 0.967,910 2.301,911 7.444,912 3.135,913 3.726,914 4.193,915 4.722,916 5.22,917 5.387,918 5.702,919 5.836,920 5.462,921 4.996,922 1,923 22,924 6.524,926 3.41,927 0.026,929 9.224,931 9.872,933 7.897,936 3.724,937 59.583,941 35.313,942 59.27,943 18.011,945 61.29,946 44.88,948 59.27,949 96.603,950 62.891,952 18.011,953 28.429,954 60.128,955 67.066,957 35.313,958 9.817,959 35.313,960 77.281,961 106.17,964 35.313,965 61.29,966 44.88,967 9.817,968 18.011,969 49.453,972 80.194,973 79.3,974 59.27,977 45.131,978 21.024,979 28.429,980 18.011,981 106.17,982 35.313,983 124.181,984 59.27,986 0.612,987 0.312,988 0.163,989 0.088,990 14,991 7,992 0.048,993 1,994 1,995 1.222,996 2.695,997 108.111,998 0.222,999 9,1000 59.245,1005 10.805,1006 3.407,1007 2.134,1009 124.181,1010 3.077,1015 -0.465,1017 18.011,1018 218.764,1019 22,1024 22.069,1028 -1.734,1031 22.273,1032 23.391,1034 0.467,1035 0.812,1036 0.89,1037 0.945,1038 0.945,1039 0.945,1040 4.425,1041 -0.424,1042 5.389,1043 0.319,1044 3.97,1045 4.407,1046 3.265,1047 6.267,1048 3.832,1049 5.688,1050 -0.793,1051 7.006,1052 -1.184,1053 4.007,1054 4.494,1055 4.042,1056 7.503,1057 3.689,1058 7.039,1059 -1,1060 8.723,1061 -2.223,1062 5.72,1063 6.574,1064 5.643,1065 10.437,1066 5.433,1067 8.416,1068 -1,1069 10.493,1070 -2.879,1071 6.431,1072 7.329,1073 6.952,1074 12.355,1075 6.001,1076 9.817,1077 -1,1078 12.293,1079 -3,1080 7.77,1081 9.024,1082 8.374,1083 14.91,1084 7.354,1085 11.234,1086 -1.362,1087 14.112,1088 -3,1089 8.744,1090 10.088,1091 9.758,1092 17.088,1093 8.248,1094 12.664,1095 -1.758,1096 15.946,1097 -3.774,1098 9.958,1099 11.631,1100 11.156,1101 19.515,1102 9.463,1103 3.197,1104 -1.791,1105 17.79,1106 -5.391,1107 11.037,1108 12.854,1109 12.548,1110 21.797,1111 10.504,1112 3.096,1113 10.672,1114 19.642,1115 -5.956,1116 12.208,1117 14.33,1118 13.943,1119 24.177,1120 11.672,1121 2.328,1122 10.161,1123 21.5,1124 4.112,1125 13.329,1126 15.639,1127 15.337,1128 26.5,1129 12.778,1130 1.913,1131 6.859,1132 23.364,1133 3.302,1134 14.485,1135 17.081,1136 16.732,1137 28.862,1138 13.933,1139 1.63,1140 5.94,1141 25.231,1142 2.975,1143 15.622,1144 18.437,1145 18.126,1146 31.202,1147 15.066,1148 0.802,1149 4.769,1150 27.103,1151 2.522,1152 16.774,1153 19.864,1154 19.52,1155 33.558,1156 16.218,1157 0.123,1158 1.974,1159 28.977,1160 2.134,1161 17.919,1162 21.246,1163 20.915,1164 35.905,1165 17.363,1166 1827,1167 4607,1168 10.345,1169 13.466,1170 27.045,1171 27.407,1172 27.227,1173 26.49,1174 26.176,1175 32.738,1176 10.969,1177 81.388,1178 24.338,1179 5.349,1180 6.437,1181 5.952,1182 5.239,1183 5.197,1184 7.112,1185 5.542,1186 17.555,1187 5.178,1188 10.103,1189 1.591,1190 1.612,1191 1.602,1192 1.558,1193 1.54,1194 1.926,1195 0.645,1196 4.788,1197 1.432,1198 4.006,1199 4.021,1200 3.978,1201 3.905,1202 8.516,1203 3.918,1204 3.532,1205 3.539,1206 3.546,1207 3.262,1208 7.999,1209 3.313,1210 3.305,1211 3.331,1212 3.303,1213 2.905,1214 7.999,1215 3.005,1216 2.92,1217 2.971,1218 2.833,1219 2.715,1220 7.499,1221 2.741,1222 2.58,1223 2.581,1224 2.56,1225 2.375,1226 7.352,1227 2.412,1228 2.495,1229 2.531,1230 2.381,1231 2.087,1232 4.78,1233 2.167,1234 1.91,1235 1.98,1236 1.735,1237 1.367,1238 4.193,1239 1.43,1240 1.569,1241 1.648,1242 1.581,1243 0.993,1244 3.656,1245 1.034,1246 0.265,1247 0.261,1248 0.392,1249 0.246,1250 0.188,1251 4.507,1252 0.242,1253 4.437,1254 0.237,1255 6.667,1256 0.628,1257 4.175,1258 0.187,1259 3.197,1260 4.112,1261 4.032,1262 10.672,1263 3.178,1264 1.869,1265 1.854,1266 1.949,1267 1.967,1268 1.074,1269 1.959,1270 1.367,1271 1.364,1272 1.426,1273 1.651,1274 0.348,1275 1.578,1276 1.073,1277 1.063,1278 1.109,1279 1.539,1280 0.154,1281 1.388,1282 0.836,1283 0.785,1284 1.056,1285 1.107,1286 0.005,1287 1.085,1288 0.707,1289 0.662,1290 0.829,1291 0.942,1293 0.946,1296 0.457,1297 0.424,1299 0.403,1302 0.072,1303 0.314,1305 0.228,1312 3.555,1314 4.934,1315 2.398,1316 6.472,1317 4.844,1318 8.082,1319 7.002,1320 9.732,1324 35.632,1329 2.212,1330 3.619,1334 -4.826,1340 14.896,1341 40.399,1342 70.174,1343 76.929,1344 81.684,1345 81.684,1346 81.684,1347 39.626,1348 5.961,1349 59.16,1350 59.16,1351 11,1352 12.05,1353 3.17,1354 2.585,1355 25.955,1356 41,1357 28,1358 0.351,1359 90.055,1360 171.02,1361 211.495,1362 2194,1363 15,1364 11.922,1365 0.745,1366 0.474,1367 9.422,1368 7.591,1369 7.366,1370 0.433,1371 0.242,1372 3.973,1373 6.763,1374 3.99,1375 3.234,1376 6.22,1377 4.121,1378 7.94,1379 0.305,1380 0.117,1381 5.583,1382 3.038,1383 5.305,1384 0.177,1385 0.064,1386 4.982,1387 1.924,1388 4.461,1389 0.112,1390 0.033,1391 3.781,1392 1.319,1393 3.388,1394 0.074,1395 0.017,1396 2.987,1397 0.798,1398 0.522,1399 48.771,1400 0.311,1401 15.827,1402 1.036,1403 86,1404 545.873,1405 115.421,1406 431.356,1407 539.57,1408 394,1409 99,1410 361.799,1411 118.034,1412 340.916,1413 522.83,1414 317,1415 4}
{0 CHEMBL1171854,1 1.512,2 8.737,3 3.332,4 11.105,5 74.97,6 7.324,7 0.6,8 3.638,9 3.755,10 3.186,11 3.154,12 4.792,13 3.139,14 4.108,15 4.282,16 3.482,17 3.469,18 5.295,19 3.432,20 4.28,21 4.466,22 3.436,23 3.558,24 5.342,25 3.489,26 4.332,27 4.567,28 3.359,29 3.455,30 5.412,31 3.369,32 4.25,33 4.477,34 3.263,35 3.287,36 5.417,37 3.241,38 4.042,39 4.237,40 3.083,41 3.144,42 5.224,43 3.097,44 3.834,45 4.038,46 2.958,47 3.12,48 4.953,49 3.039,50 3.887,51 4.106,52 2.781,53 3.104,54 4.963,55 2.992,56 0.013,57 0.488,58 7.128,59 3.069,60 4.856,61 4.015,62 0.291,63 0.734,64 12.864,65 4.624,66 24.558,67 6.368,68 0.142,69 0.83,70 15.539,71 5.808,72 19.247,73 7.729,74 0.169,75 0.818,76 17.411,77 6.155,78 26.141,79 8.584,80 0.239,81 0.704,82 16.754,83 5.237,84 39.116,85 6.887,86 0.334,87 0.571,88 13.537,89 4.274,90 34.504,91 5.286,92 0.104,93 0.522,94 10.089,95 3.785,96 19.264,97 5.125,98 0.192,99 0.544,100 11.066,101 3.693,102 32,103 5.021,104 11,105 26,106 0.279,107 0.542,108 0.636,109 0.765,110 0.811,111 0.811,112 3.009,113 0.894,114 -3.89,115 -3.85,116 -3.65,121 42.9,126 2,144 9,146 3,161 1,176 6,179 1,180 4,183 2,185 2,187 7,192 2,197 2,200 3,205 1,206 8,211 3,219 5,224 1,231 1,232 3,235 1,237 1,239 4,251 6,256 2,264 6,269 2,277 3,281 425,282 12.637,283 12.637,284 12.637,285 12.637,286 12.637,287 11.033,288 16.431,289 7.747,290 12.917,291 9.901,292 9.901,293 9.901,294 9.901,295 9.901,296 7.525,297 25.074,298 3.719,299 10.334,300 3.617,301 2.188,302 1.68,303 0.979,304 0.729,305 0.729,306 3.667,310 1,311 1,312 1,313 343,314 3.082,318 135.265,325 1.357,326 13.226,328 1,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 41,338 166,339 4.159,340 3.678,341 5.981,342 3.786,343 2.837,344 3.728,345 2.186,346 8.51,347 2.691,348 3.955,349 3.015,350 5.539,351 3.581,352 2.625,353 3.473,354 0.8,355 7.502,356 2.51,357 3.637,358 2.593,359 5.273,360 3.274,361 2.335,362 2.896,363 0.366,364 6.687,365 2.174,366 3.319,367 2.481,368 4.636,369 2.901,370 1.92,371 2.525,373 4.981,374 1.863,375 2.855,376 1.538,377 3.759,378 2.399,379 1.418,380 1.994,382 3.07,383 1.388,384 2.715,385 1.518,386 3.562,387 2.269,388 1.288,389 1.795,391 2.905,392 1.257,393 2.5,394 1.089,395 3.436,396 2,397 1,398 1.5,400 2.323,401 1,402 2.312,403 1,404 3.247,405 1.971,406 1,407 1.271,409 2.136,410 0.968,411 1.217,412 0.739,413 2.857,414 0.916,420 1.152,421 0.315,422 2.246,423 0.677,424 -0.328,425 -0.446,427 -0.768,428 -0.322,429 0.655,430 -0.409,431 2,432 0.227,433 -0.749,434 -0.976,436 -1.904,437 -0.726,438 0.53,439 -0.6,440 1.675,441 0.033,442 -1,443 -1,445 -2,446 -0.9,447 0.5,448 -0.642,449 1.555,451 -1,452 -1.328,454 -2.257,455 -0.959,456 0.382,457 -0.83,458 1.403,459 -0.034,460 -1,461 -1.5,463 -2.347,464 -1,466 -1,467 1.267,468 -0.1,469 -1,470 -1.532,472 -2.685,473 -1.034,474 8.967,475 0.472,476 0.438,477 0.023,478 27,479 1.421,480 15,481 0.789,482 12,483 0.632,484 10.77,485 0.567,486 20.433,487 0.584,488 18.035,489 0.949,490 5.726,491 0.301,492 3.422,493 0.18,494 0.149,496 0.268,501 0.809,502 1.382,503 0.803,504 1.14,505 0.63,506 0.991,507 0.666,508 0.954,509 0.847,510 0.883,511 0.435,512 0.877,513 1.183,514 1.206,515 1.116,516 1.165,517 0.924,518 1.134,519 0.908,520 1.127,521 0.889,522 1.118,523 0.829,524 1.019,525 1.772,526 0.919,527 1.011,528 0.889,529 1.859,530 0.841,531 2.119,532 0.715,533 1.231,534 0.765,535 1.966,536 0.866,537 1.056,538 1.035,539 1.012,540 0.992,541 1.345,542 0.996,543 1.459,544 0.865,545 1.363,546 0.893,547 2.173,548 1.07,549 4,550 0.037,551 1.333,552 1.188,553 0.733,554 0.472,555 0.323,556 0.069,557 0.131,558 0.081,559 3304,560 8645,561 1.995,562 45.7,564 15,567 1,572 1.599,573 1.869,574 3.158,575 -0.301,577 1,579 1,582 52.922,583 1.512,584 2.942,585 3.449,586 4.15,587 4.4,588 4.4,589 2.55,590 3.722,591 4.223,592 3.278,593 560.462,594 7.172,595 5680.1,596 1,597 1,599 1,600 179.525,601 1.384,602 4.178,603 0.2,604 0.006,605 0.051,606 0.049,607 0.035,608 0.025,609 0.02,610 0.005,611 0.011,612 0.008,613 0.411,614 0.67,615 1,616 0.868,617 83.706,618 -0.032,619 -0.221,620 0.045,621 -0.108,622 -0.082,623 -0.034,624 0.329,625 0.162,626 0.083,627 0.084,628 0.25,629 0.055,630 -0.148,631 -0.179,632 -0.177,633 -0.183,634 -0.114,635 -0.184,636 0.097,637 -0.182,638 0.099,639 -0.157,640 0.124,641 -0.048,642 -0.189,643 -0.007,644 0.056,645 0.038,646 -0.093,647 0.082,648 -0.236,649 0.213,650 -0.155,651 0.168,652 -0.212,653 0.029,654 -0.127,655 -0.035,656 -0.069,657 -0.001,658 -0.068,659 -0.023,660 -0.36,661 0.158,662 -0.39,663 0.052,664 -0.463,665 -0.136,666 2.165,667 4.716,668 0.632,669 13.335,670 1.001,671 1.123,672 2.662,673 7.088,674 0.664,675 3.045,676 3.296,677 3.434,678 3.611,679 3.738,680 3.584,681 3.611,682 3.497,683 3.466,684 3.434,685 5.343,686 0.633,687 256.33,688 3.045,689 4.533,690 5.323,691 6.155,692 6.961,693 7.795,694 8.607,695 9.441,696 10.256,697 11.09,698 5.7,704 1,705 1,715 9,720 3,722 12,736 1,737 1,741 35,743 13,744 2,745 20,747 36,748 15,749 12,750 3,751 9,756 2,757 2,772 13,773 2,777 1,782 1,786 1,790 1,793 16,794 4,795 1,796 4,802 2,808 1,809 2,829 2,859 2,864 2,868 19,877 1,878 1,881 1,893 5.7,896 1,898 1,901 10.167,902 6.783,903 4.278,904 1.867,907 2.101,908 1.348,909 0.95,910 4.418,911 8.144,912 3.332,913 3.85,914 4.29,915 4.798,916 5.243,917 5.087,918 5.268,919 5.346,920 5.356,921 5.668,922 0.833,923 24,924 6.968,926 2.784,927 0.026,929 7.798,931 13.129,933 9.935,936 2.298,937 43.667,938 0.001,941 176.567,942 119.598,943 21.135,945 36.145,948 119.598,949 212.711,950 21.135,951 16.793,952 18.011,953 85.286,954 25.145,955 24.881,956 6.763,957 176.567,959 176.567,960 140.733,961 36.145,964 176.567,965 36.145,968 18.011,969 122.723,972 176.567,973 57.28,974 119.598,977 176.567,978 17.519,979 105.203,980 18.011,981 36.145,982 176.567,983 57.28,984 119.598,986 0.567,987 0.309,988 0.161,989 0.086,990 11,991 5,992 0.111,993 4,995 1,996 3.197,997 126.501,999 12,1000 72.711,1005 13.432,1006 6.25,1007 4,1009 57.28,1010 16.543,1015 2.195,1017 18.011,1018 353.445,1019 27,1024 11.716,1028 -0.498,1031 35.043,1032 39.322,1034 0.295,1035 0.573,1036 0.673,1037 0.809,1038 0.858,1039 0.858,1040 4.511,1041 1,1042 5.273,1043 2.323,1044 3.97,1045 4.533,1046 2.351,1047 5.969,1048 3.885,1049 5.682,1051 6.76,1052 2.136,1053 3.434,1054 4.086,1055 1.847,1056 6.613,1057 3.264,1058 6.942,1059 -0.328,1060 8.343,1062 5.451,1063 6.587,1064 3.504,1065 9.636,1066 5.266,1067 8.231,1068 -0.749,1069 9.979,1070 -0.768,1071 5.673,1072 6.856,1073 3.598,1074 11.064,1075 5.386,1076 9.547,1077 -1,1078 11.649,1079 -1.904,1080 7.18,1081 8.88,1082 4.907,1083 13.568,1084 6.892,1085 10.88,1086 -1,1087 13.342,1088 -2,1089 7.775,1090 9.519,1091 5.29,1092 15.344,1093 7.386,1094 12.228,1095 -1,1096 15.05,1097 -2.257,1098 9.038,1099 11.291,1100 6.387,1101 17.632,1102 8.645,1103 2.837,1104 -1,1105 16.771,1106 -2.347,1107 9.83,1108 12.152,1109 6.93,1110 19.579,1111 9.343,1112 2.625,1113 8.51,1114 18.5,1115 -2.685,1116 10.97,1117 13.767,1118 7.902,1119 21.771,1120 10.471,1121 2.335,1122 7.502,1123 20.236,1124 3.728,1125 11.869,1126 14.772,1127 8.539,1128 23.806,1129 11.286,1130 1.92,1131 6.687,1132 21.978,1133 3.473,1134 12.949,1135 16.284,1136 9.436,1137 25.958,1138 12.343,1139 1.418,1140 4.981,1141 23.725,1142 2.896,1143 13.905,1144 17.385,1145 10.13,1146 28.037,1147 13.225,1148 1.288,1149 3.07,1150 25.475,1151 2.525,1152 14.955,1153 18.829,1154 10.981,1155 30.173,1156 14.243,1157 1,1158 2.905,1159 27.229,1160 1.994,1161 15.944,1162 19.996,1163 11.71,1164 32.276,1165 15.164,1166 3342,1167 5527,1168 13.118,1169 23.25,1170 29.304,1171 29.812,1172 29.777,1173 28.922,1174 28.847,1175 38.365,1176 6.705,1177 76.226,1178 27.702,1179 5.024,1180 5.678,1181 5.783,1182 4.86,1183 4.837,1184 6.728,1185 3.889,1186 14.448,1187 4.691,1188 9.072,1189 1.465,1190 1.491,1191 1.489,1192 1.446,1193 1.442,1194 1.918,1195 0.335,1196 3.811,1197 1.385,1198 3.948,1199 3.979,1200 3.891,1201 3.852,1202 7.435,1203 3.855,1204 3.878,1205 3.913,1206 3.81,1207 3.806,1208 4.837,1209 3.803,1210 3.471,1211 3.543,1212 3.381,1213 3.215,1214 4.755,1215 3.23,1216 3.345,1217 3.38,1218 3.225,1219 3.057,1220 4.309,1221 3.109,1222 2.881,1223 3.009,1224 2.767,1225 2.735,1226 4.099,1227 2.733,1228 2.874,1229 2.93,1230 2.687,1231 2.733,1232 3.839,1233 2.715,1234 2.854,1235 2.925,1236 2.607,1237 2.618,1238 3.674,1239 2.603,1240 2.754,1241 2.818,1242 2.533,1243 2.616,1244 3.501,1245 2.57,1246 0.208,1247 0.184,1248 0.299,1249 0.189,1250 0.142,1251 4.159,1252 0.186,1253 3.678,1254 0.109,1255 5.981,1256 0.425,1257 3.786,1258 0.135,1259 2.837,1260 3.728,1261 2.186,1262 8.51,1263 2.691,1264 1.898,1265 1.871,1266 2.014,1267 2.021,1268 1.097,1269 2.017,1270 1.876,1271 1.846,1272 1.998,1273 1.976,1274 1.06,1275 1.986,1276 1.415,1277 1.328,1278 1.715,1279 1.684,1280 0.771,1281 1.694,1282 1.191,1283 1.163,1284 1.417,1285 1.515,1286 0.469,1287 1.46,1288 0.934,1289 0.821,1290 1.327,1291 1.239,1292 0.281,1293 1.308,1294 0.886,1295 0.812,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 0.862,1301 0.804,1302 1.117,1303 1.06,1304 0.177,1305 1.075,1306 0.763,1307 0.705,1308 1.024,1309 0.954,1310 0.107,1311 0.983,1312 3.714,1314 4.977,1316 6.425,1318 7.952,1320 9.517,1322 3.867,1329 2.664,1330 5.232,1333 1.946,1340 22.16,1341 52.922,1342 102.956,1343 120.731,1344 145.26,1345 154.015,1346 154.015,1347 24.823,1348 6.043,1349 41.57,1350 41.57,1351 12,1352 11.664,1353 3.807,1354 3,1355 33.786,1356 61,1357 52,1358 0.274,1359 140.958,1360 242.64,1361 335.698,1362 2838,1364 13.665,1365 0.719,1366 0.577,1367 13.665,1368 10.96,1369 9.148,1370 0.457,1371 0.298,1372 5.867,1373 8.776,1374 5.65,1375 4.798,1376 9.148,1377 5.962,1378 8.117,1379 0.312,1380 0.164,1381 8.117,1382 4.272,1383 5.962,1384 0.199,1385 0.085,1386 5.962,1387 2.565,1388 4.809,1389 0.134,1390 0.044,1391 4.809,1392 1.597,1393 3.653,1394 0.089,1395 0.024,1396 3.653,1397 0.993,1398 0.43,1399 57.433,1400 0.276,1401 19.304,1402 0.742,1403 92,1404 289.449,1405 102.555,1406 279.126,1407 376.55,1408 260,1409 102,1410 275.275,1411 111.312,1412 280.009,1413 398.97,1414 260,1415 5.602}
{0 CHEMBL1172618,1 1.32,2 17.324,3 7.2,4 51.844,5 152.689,6 6.451,7 0.537,8 4.405,9 4.541,10 3.852,11 3.974,12 5.353,13 3.914,14 4.98,15 5.178,16 4.181,17 4.387,18 5.839,19 4.291,20 5.291,21 5.547,22 4.284,23 4.531,24 6.122,25 4.409,26 5.316,27 5.577,28 4.198,29 4.502,30 6.149,31 4.364,32 5.295,33 5.561,34 4.084,35 4.48,36 6.065,37 4.322,38 5.295,39 5.563,40 3.935,41 4.459,42 6.01,43 4.267,44 5.299,45 5.601,46 3.79,47 4.385,48 5.926,49 4.162,50 5.194,51 5.509,52 3.671,53 4.252,54 5.802,55 4.032,56 0.096,57 1.097,58 18.242,59 7.585,60 11.974,61 10.767,62 0.185,63 1.832,64 32.765,65 12.936,66 21.338,67 18.842,68 0.364,69 2.329,70 45.419,71 16.657,72 44.085,73 24.806,74 0.465,75 2.343,76 47.017,77 16.59,78 52.457,79 24.708,80 0.4,81 2.261,82 45.768,83 16.78,84 43.958,85 24.735,86 0.343,87 2.198,88 45.434,89 17.641,90 40.712,91 25.618,92 0.308,93 2.141,94 45.476,95 17.669,96 35.889,97 26.043,98 0.31,99 1.901,100 41.122,101 15.526,102 33.126,103 23.047,104 5,105 55,106 0.202,107 0.505,108 0.699,109 0.83,110 0.88,111 0.891,112 3.641,113 1.034,114 -5.55,115 -5.43,116 -5.06,121 41.6,122 1,123 10,127 3,144 8,145 4,146 2,148 4,176 18,180 7,185 6,187 18,192 7,195 1,197 7,200 13,206 3,209 1,210 1,211 9,214 14,222 1,224 7,227 18,232 1,237 4,239 18,244 2,249 5,251 16,256 2,261 1,264 15,269 2,273 1,274 1,277 17,281 2690,282 25.725,283 25.725,284 25.725,285 25.725,286 25.725,287 23.073,288 23.01,289 15.808,290 25.989,291 20.308,292 20.308,293 20.308,294 20.308,295 20.308,296 16.259,297 24.459,298 7.593,299 20.76,300 4.946,301 2.972,302 1.708,303 0.851,304 0.529,305 0.451,306 4.355,312 1,313 1424,314 4,318 521.605,322 527.883,325 2.533,326 21.914,329 0.75,330 0.67,331 0.83,332 1,333 0.5,334 0.83,335 0.5,336 0.73,337 77,338 641,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.657,346 11.348,347 3.162,348 4.573,349 3.263,350 6.638,351 4.1,352 3.126,353 4.516,354 0.4,355 10.559,356 3.042,357 3.914,358 2.671,359 5.982,360 3.524,361 2.532,362 3.437,364 8.37,365 2.512,366 3.838,367 2.669,368 5.69,369 3.442,370 2.466,371 3.329,373 7.544,374 2.406,375 3.522,376 2.356,377 5.381,378 3.136,379 2.182,380 2.893,382 6.711,383 2.08,384 3.471,385 2.274,386 4.959,387 3.052,388 2.074,389 2.86,391 5.8,392 2.027,393 3.174,394 2.036,395 4.712,396 2.908,397 1.918,398 2.45,400 4.862,401 1.9,402 2.943,403 1.91,404 4.116,405 2.747,406 1.779,407 2.142,409 3.865,410 1.718,411 2.919,412 1.782,413 3.988,414 2.639,415 1.658,416 1.928,418 3.53,419 1.625,420 2.726,421 1.622,422 3.894,423 2.513,424 1.524,425 1.741,427 3.329,428 1.505,429 2.594,430 1.481,431 3.73,432 2.345,433 1.362,434 1.618,436 3.26,437 1.343,438 2.49,439 1.424,440 3.612,441 2.326,442 1.347,443 1.489,445 2.902,446 1.31,447 2.405,448 1.35,449 3.594,450 2.242,451 1.247,452 1.4,454 2.872,455 1.24,456 2.373,457 1.183,458 3.537,459 2.001,460 1.038,461 1.321,463 2.315,464 0.997,465 2.104,466 1.039,467 3.365,468 1.885,469 0.919,470 1.088,472 2.21,473 0.884,474 17.933,475 0.485,476 0.64,477 0.017,478 43.75,479 1.182,480 21,481 0.568,482 22.75,483 0.615,484 38.515,485 1.041,486 40.267,487 0.523,488 29.836,489 0.806,490 7.688,491 0.208,492 10.516,493 0.284,494 0.046,496 0.279,501 0.995,502 1.228,503 0.957,504 1.076,505 0.931,506 1.024,507 0.862,508 1.233,509 0.992,510 1.116,511 0.646,512 1.069,513 0.91,514 1.073,515 0.893,516 0.962,517 0.748,518 0.927,519 1.262,520 1.035,521 1.044,522 0.99,523 1.163,524 0.995,525 1.234,526 0.964,527 1.1,528 1.005,529 1.118,530 1.033,531 1.14,532 1.067,533 1.168,534 1.13,535 1.25,536 1.154,537 0.745,538 0.992,539 1.015,540 1.046,541 0.743,542 1.052,543 0.837,544 0.845,545 0.944,546 0.901,547 0.779,548 0.924,549 4.5,550 0.12,551 3.556,552 2.125,553 2.138,554 0.757,555 0.461,556 0.248,557 0.188,558 0.148,559 29003,560 57415,561 2.15,562 51.9,563 14,564 14,567 3,568 5,569 4,572 1.769,573 2.075,574 3.962,575 0.675,582 101.665,583 1.32,584 3.294,585 4.559,586 5.416,587 5.738,588 5.815,589 3.276,590 4.615,591 5.191,592 4.266,593 2840.91,594 9.055,595 54055.8,600 482.543,601 1.12,602 5.168,603 0.11,604 0.004,605 0.065,606 0.036,607 0.041,608 0.016,609 0.012,610 0.008,611 0.006,612 0.005,613 0.304,614 0.17,615 0.5,616 0.368,617 213.265,618 -0.041,619 -0.019,620 0.048,621 0.043,622 -0.016,623 0.05,624 -0.003,625 -0.113,627 -0.061,628 0.071,629 -0.035,630 0.104,631 -0.037,632 0.104,633 0.026,634 0.162,635 0.06,636 0.014,637 -0.004,638 -0.029,639 -0.025,640 0.035,641 -0.029,642 -0.1,643 0.049,644 -0.099,645 -0.03,646 -0.062,647 -0.057,648 -0.139,649 -0.099,650 -0.187,651 -0.132,652 -0.169,653 -0.16,654 -0.022,655 -0.069,656 -0.056,657 -0.068,658 -0.045,659 -0.065,660 -0.035,661 0.068,662 0.023,663 0.057,664 -0.038,665 0.048,666 1.359,667 4.59,668 0.649,669 43.657,670 0.982,671 1.126,672 4.322,673 18.68,674 0.652,675 3.738,676 4.025,677 4.317,678 4.595,679 4.868,680 4.905,681 4.99,682 5.069,683 5.112,684 4.913,685 10.698,686 0.601,687 496.76,688 3.738,689 5.263,690 6.111,691 6.98,692 7.851,693 8.732,694 9.614,695 10.501,696 11.389,697 12.28,698 5.2,700 1,703 1,708 2,714 4,715 8,716 2,720 6,722 22,734 1,738 1,741 77,743 22,744 2,745 41,747 81,748 32,749 18,750 6,751 6,756 5,757 9,763 1,767 4,770 10,772 18,773 14,793 40,794 5,795 3,796 5,802 4,808 0.4,809 1,822 2,829 5,833 3,853 1,859 2,864 1,868 37,875 1,876 13,877 2,893 1.3,895 1,901 17.833,902 13.767,903 8.278,904 5.306,907 4.441,908 1.524,909 0.99,910 8.785,911 12.915,912 3.97,913 4.575,914 5.212,915 5.841,916 6.463,917 6.768,918 7.114,919 7.454,920 7.747,921 7.436,922 0.909,923 59,924 13.768,926 5.79,927 0.026,929 7.423,931 27.552,933 23.242,936 1.923,937 71.167,941 435.531,942 140.373,943 69.593,945 42.683,948 140.373,949 478.214,950 69.593,951 8.825,952 31.662,953 93.821,954 94.265,955 24.076,957 435.531,959 435.531,960 209.966,961 42.683,964 388.446,965 89.768,968 68.3,969 90.084,970 51.582,972 435.531,973 112.276,974 140.373,977 435.531,978 55.738,979 84.635,980 36.022,981 76.254,982 435.531,983 112.276,984 140.373,986 0.566,987 0.332,988 0.189,989 0.109,990 25,991 10,992 0.148,993 12,994 3,995 1.25,996 5.066,997 334.709,998 0.25,999 24,1000 190.75,1005 25.791,1006 12.603,1007 6.356,1008 4.085,1009 112.276,1010 16.612,1011 9.452,1015 6.261,1017 78.705,1018 688.18,1019 52,1031 75.639,1032 86.676,1034 0.211,1035 0.526,1036 0.727,1037 0.864,1038 0.916,1039 0.928,1040 5.19,1041 1.779,1042 6.061,1043 4.862,1044 4.71,1045 5.263,1046 0.781,1047 6.858,1048 4.664,1049 6.374,1050 1.658,1051 7.601,1052 3.865,1053 4.111,1054 5.094,1056 7.748,1057 4.04,1058 7.677,1059 1.524,1060 9.253,1061 3.53,1062 6.267,1063 7.535,1064 0.354,1065 10.911,1066 6.178,1067 9.025,1068 1.362,1069 10.975,1070 3.329,1071 6.581,1072 8.279,1074 12.703,1075 6.462,1076 10.415,1077 1.347,1078 12.745,1079 3.26,1080 8.138,1081 10.166,1082 0.157,1083 15.37,1084 8.005,1085 11.835,1086 1.247,1087 14.548,1088 2.902,1089 8.903,1090 11.325,1092 17.517,1093 8.74,1094 13.277,1095 1.038,1096 16.374,1097 2.872,1098 10.212,1099 12.992,1100 0.069,1101 20.018,1102 10.034,1103 3.226,1104 0.919,1105 18.216,1106 2.315,1107 11.193,1108 14.344,1110 22.313,1111 10.987,1112 3.126,1113 11.348,1114 20.071,1115 2.21,1116 12.403,1117 15.92,1118 0.03,1119 24.754,1120 12.178,1121 2.532,1122 10.559,1123 21.936,1124 4.564,1125 13.482,1126 17.36,1128 27.113,1129 13.231,1130 2.466,1131 8.37,1132 23.808,1133 4.516,1134 14.655,1135 18.898,1136 0.013,1137 29.533,1138 14.384,1139 2.182,1140 7.544,1141 25.687,1142 3.437,1143 15.778,1144 20.378,1146 31.92,1147 15.483,1148 2.074,1149 6.711,1150 27.571,1151 3.329,1152 16.939,1153 21.9,1154 0.006,1155 34.334,1156 16.622,1157 1.918,1158 5.8,1159 29.458,1160 2.893,1161 18.081,1162 23.398,1164 36.734,1165 17.741,1166 26552,1167 37542,1168 28.315,1169 50.182,1170 59.55,1171 60.267,1172 61.068,1173 59.677,1174 59.672,1175 76.719,1176 2.115,1177 165.405,1178 58.276,1179 5.609,1180 5.361,1181 6.765,1182 5.247,1183 5.226,1184 7.564,1185 1.315,1186 18.879,1187 5.162,1188 12.383,1189 1.452,1190 1.47,1191 1.489,1192 1.456,1193 1.455,1194 1.871,1195 0.052,1196 4.034,1197 1.421,1198 4.124,1199 4.155,1200 4.083,1201 4.05,1202 6.469,1203 4.054,1204 4.071,1205 4.096,1206 4.036,1207 4.001,1208 4.976,1209 4.006,1210 3.791,1211 3.857,1212 3.636,1213 3.667,1214 4.915,1215 3.65,1216 3.732,1217 3.781,1218 3.614,1219 3.647,1220 4.414,1221 3.632,1222 3.649,1223 3.721,1224 3.524,1225 3.507,1226 4.401,1227 3.504,1228 3.549,1229 3.608,1230 3.411,1231 3.422,1232 4.268,1233 3.409,1234 3.382,1235 3.462,1236 3.228,1237 3.209,1238 4.203,1239 3.203,1240 3.251,1241 3.322,1242 3.101,1243 3.112,1244 4.039,1245 3.1,1246 0.113,1247 0.082,1248 0.167,1249 0.103,1250 0.079,1251 4.64,1252 0.111,1253 3.361,1254 0.016,1255 6.829,1256 0.277,1257 4.207,1258 0.077,1259 3.226,1260 4.564,1261 0.657,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.438,1269 2.163,1270 2.042,1271 2.021,1272 2.115,1273 2.131,1274 1.403,1275 2.127,1276 1.797,1277 1.735,1278 2.043,1279 1.961,1280 1.266,1281 1.992,1282 1.754,1283 1.709,1284 1.949,1285 1.873,1286 1.207,1287 1.902,1288 1.643,1289 1.579,1290 1.89,1291 1.838,1292 1.14,1293 1.859,1294 1.555,1295 1.501,1296 1.77,1297 1.716,1298 0.958,1299 1.738,1300 1.374,1301 1.298,1302 1.652,1303 1.592,1304 0.865,1305 1.617,1306 1.254,1307 1.19,1308 1.517,1309 1.446,1310 0.756,1311 1.476,1312 4.419,1314 5.714,1316 7.22,1318 8.84,1320 10.524,1322 1.954,1327 10.59,1328 14.932,1329 7.282,1340 46.283,1341 101.665,1342 253.661,1343 351.033,1344 417.033,1345 441.788,1346 447.788,1347 61.283,1348 8.474,1349 70.07,1350 70.07,1351 30,1352 12.809,1353 4.524,1354 3.585,1355 57.658,1356 250,1357 182,1358 0.108,1359 282.658,1360 483.15,1361 681.445,1362 86331,1364 25.451,1365 0.688,1366 0.599,1367 25.451,1368 22.153,1369 18.204,1370 0.444,1371 0.345,1372 14.049,1373 17.871,1374 13.721,1375 11.421,1376 18.204,1377 14.138,1378 15.614,1379 0.284,1380 0.19,1381 15.614,1382 10.459,1383 13.391,1384 0.181,1385 0.103,1386 13.391,1387 7.625,1388 11.282,1389 0.115,1390 0.057,1391 11.282,1392 5.549,1393 9.675,1394 0.075,1395 0.032,1396 9.675,1397 4.141,1398 0.183,1399 111.569,1400 0.188,1401 35.246,1402 0.263,1403 192,1404 412.106,1405 201.32,1406 413.965,1407 588.24,1408 392,1409 225,1410 448.481,1411 235.374,1412 459.795,1413 676.97,1414 437,1415 9.301}
{0 CHEMBL1172762,1 1.408,2 18.079,3 8.038,4 64.614,5 157.503,6 6.899,7 0.524,8 4.409,9 4.541,10 3.911,11 3.99,12 5.368,13 3.931,14 4.984,15 5.177,16 4.252,17 4.41,18 5.86,19 4.311,20 5.308,21 5.561,22 4.386,23 4.56,24 6.145,25 4.432,26 5.324,27 5.579,28 4.353,29 4.527,30 6.193,31 4.392,32 5.304,33 5.562,34 4.218,35 4.498,36 6.136,37 4.338,38 5.294,39 5.566,40 3.975,41 4.464,42 5.991,43 4.264,44 5.289,45 5.588,46 3.853,47 4.39,48 5.928,49 4.17,50 5.182,51 5.485,52 3.753,53 4.276,54 5.815,55 4.058,56 0.085,57 1.085,58 17.61,59 7.508,60 10.867,61 10.508,62 0.176,63 1.815,64 32.942,65 13.077,66 20.244,67 18.684,68 0.362,69 2.304,70 48.979,71 17.656,72 43.368,73 25.533,74 0.527,75 2.301,76 51.416,77 17.148,78 56.556,79 24.852,80 0.573,81 2.22,82 52.086,83 17.342,84 59.877,85 24.911,86 0.35,87 2.166,88 49.099,89 18.205,90 38.635,91 26.07,92 0.348,93 2.097,94 48.794,95 18.014,96 37.713,97 26.054,98 0.323,99 1.866,100 44.247,101 16.192,102 34.173,103 23.387,104 5,105 56,106 0.216,107 0.521,108 0.697,109 0.821,110 0.874,111 0.897,112 3.667,113 1.05,114 -6.01,115 -5.86,116 -5.45,121 41.6,123 11,127 3,144 7,145 4,146 3,147 1,148 3,176 17,180 6,185 6,187 18,192 6,195 1,197 7,200 14,206 4,209 1,210 1,211 7,214 15,222 1,224 8,227 17,232 1,237 4,239 17,244 2,249 4,251 16,256 2,261 3,264 15,269 2,274 1,277 16,281 2904,282 26.485,283 26.485,284 26.485,285 26.485,286 26.485,287 23.813,288 22.186,289 16.384,290 26.857,291 20.809,292 20.809,293 20.809,294 20.809,295 20.809,296 16.744,297 24.6,298 7.857,299 21.477,300 4.859,301 2.867,302 1.718,303 0.909,304 0.565,305 0.416,306 4.38,308 1,313 1524,314 4.123,318 545.05,322 551.418,325 2.645,326 25.678,329 0.5,330 0.5,331 0.67,332 0.9,333 0.5,334 0.67,335 0.5,336 0.6,337 79.333,338 687,339 4.64,340 3.387,341 6.829,342 4.207,343 3.226,344 4.588,345 0.657,346 11.348,347 3.162,348 4.633,349 3.361,350 6.759,351 4.152,352 3.19,353 4.564,354 0.4,355 10.98,356 3.06,357 3.914,358 2.803,359 5.982,360 3.524,361 2.532,362 3.437,364 8.37,365 2.512,366 3.795,367 2.669,368 5.854,369 3.396,370 2.43,371 3.264,373 7.839,374 2.349,375 3.525,376 2.431,377 5.381,378 3.136,379 2.182,380 2.943,382 6.711,383 2.08,384 3.522,385 2.356,386 5.277,387 3.025,388 2.12,389 2.893,391 6.305,392 1.919,393 2.959,394 1.993,395 4.116,396 2.92,397 1.927,398 2.142,400 3.895,401 1.859,402 2.94,403 1.881,404 3.996,405 2.722,406 1.745,407 2.126,409 3.622,410 1.702,411 2.913,412 1.721,413 3.961,414 2.522,415 1.545,416 1.937,418 3.362,419 1.51,420 2.758,421 1.588,422 3.871,423 2.482,424 1.505,425 1.772,427 3.329,428 1.46,429 2.607,430 1.483,431 3.725,432 2.373,433 1.395,434 1.635,436 3.206,437 1.362,438 2.505,439 1.43,440 3.669,441 2.345,442 1.347,443 1.506,445 2.945,446 1.343,447 2.486,448 1.35,449 3.594,450 2.242,451 1.247,452 1.484,454 2.902,455 1.24,456 2.448,457 1.272,458 3.589,459 2.101,460 1.141,461 1.439,463 2.59,464 1.09,465 2.191,466 1.2,467 3.478,468 1.945,469 1.02,470 1.179,472 2.431,473 0.915,474 18.648,475 0.491,476 0.624,477 0.016,478 44.5,479 1.171,480 21,481 0.553,482 23.5,483 0.618,484 40.665,485 1.07,486 41.352,487 0.537,488 30.118,489 0.793,490 7.727,491 0.203,492 10.993,493 0.289,494 0.056,496 0.268,501 0.882,502 1.225,503 0.787,504 1.015,505 0.823,506 0.987,507 0.8,508 1.232,509 0.851,510 1.076,511 0.625,512 1.061,513 0.802,514 1.066,515 0.791,516 0.923,517 0.677,518 0.892,519 1.14,520 1.024,521 0.939,522 0.946,523 1.068,524 0.954,525 1.108,526 0.963,527 1.097,528 1.034,529 1.037,530 1.048,531 0.886,532 1.054,533 1.058,534 1.117,535 0.894,536 1.137,537 0.739,538 0.95,539 0.913,540 1,541 0.733,542 1.023,543 0.761,544 0.897,545 0.9,546 0.953,547 0.764,548 0.975,549 4,550 0.12,551 3.556,552 2.5,553 2.178,554 0.736,555 0.421,556 0.248,557 0.188,558 0.148,559 31624,560 69440,561 2.145,562 50.6,563 16,564 13,566 1,567 3,568 2,569 4,572 1.775,573 2.073,574 4.002,575 0.686,582 108.412,583 1.408,584 3.399,585 4.548,586 5.358,587 5.702,588 5.851,589 3.342,590 4.544,591 5.23,592 4.309,593 3029.17,594 9.129,595 59565.5,600 482.543,601 1.105,602 5.207,603 0.095,604 0.004,605 0.063,606 0.041,607 0.04,608 0.016,609 0.011,610 0.008,611 0.006,612 0.005,613 0.289,614 0.17,615 0.5,616 0.362,617 221.412,618 -0.047,619 -0.019,620 0.028,621 0.042,623 0.048,624 -0.022,625 -0.109,626 -0.008,627 -0.061,628 0.053,629 -0.051,630 0.108,631 -0.049,632 0.134,633 0.057,634 0.171,635 0.094,636 0.058,637 0.003,638 0.048,639 0.014,640 0.083,641 0.008,642 0.02,643 0.045,644 -0.071,645 -0.058,646 0.032,647 -0.074,648 -0.089,649 -0.092,650 -0.139,651 -0.13,652 -0.105,653 -0.142,654 -0.028,655 -0.025,656 -0.032,657 -0.031,658 -0.043,659 -0.035,660 -0.024,661 0.019,662 -0.002,663 0.016,664 -0.038,665 0.012,666 1.441,667 4.531,668 0.632,669 46.144,670 0.987,671 1.125,672 4.775,673 22.805,674 0.663,675 3.761,676 4.043,677 4.344,678 4.625,679 4.883,680 4.913,681 4.997,682 5.056,683 5.1,684 4.92,685 11.093,686 0.612,687 531.2,688 3.761,689 5.283,690 6.133,691 7.002,692 7.875,693 8.757,694 9.641,695 10.53,696 11.42,697 12.313,698 5.2,700 1,703 1,708 2,714 4,715 8,716 2,720 6,722 22,734 1,738 1,740 1,741 77,743 22,744 2,745 42,747 81,748 32,749 18,750 7,751 5,756 5,757 9,758 1,767 4,770 11,772 18,773 14,793 39,794 5,795 3,796 6,797 1,802 4,808 0.4,809 1,822 2,829 5,833 3,853 1,859 2,865 1,868 38,875 1,876 14,877 2,892 1,893 1.3,895 1,901 18.333,902 13.41,903 8.556,904 5.337,907 4.423,908 1.521,909 0.989,910 9.591,911 12.905,912 3.989,913 4.585,914 5.23,915 5.86,916 6.466,917 6.763,918 7.111,919 7.426,920 7.726,921 7.455,922 1,923 61,924 14.132,926 5.96,927 0.026,929 7.468,931 28.155,933 23.757,936 1.968,937 74.778,941 423.76,942 134.398,943 69.593,944 39.149,945 42.683,948 134.398,949 505.592,950 69.593,952 34.197,953 84.344,954 106.036,955 33.867,957 411.989,958 39.149,959 423.76,960 203.99,961 42.683,962 39.149,964 376.675,965 89.768,968 68.3,969 84.108,970 90.73,972 423.76,973 112.276,974 173.546,977 423.76,978 59.016,979 75.381,980 36.022,981 115.403,982 423.76,983 112.276,984 173.546,986 0.563,987 0.334,988 0.192,989 0.109,990 25,991 10,992 0.16,993 13,994 3,995 1.25,996 5.16,997 344.911,998 0.25,999 24,1000 197.421,1005 27.025,1006 13.486,1007 6.727,1008 3.758,1009 112.276,1010 15.812,1011 9.234,1015 5.764,1017 78.705,1018 709.582,1019 53,1031 75.963,1032 86.62,1034 0.225,1035 0.542,1036 0.726,1037 0.855,1038 0.91,1039 0.934,1040 5.207,1041 1.745,1042 6.08,1043 3.895,1044 4.727,1045 5.273,1046 0.781,1047 6.882,1048 4.662,1049 6.386,1050 1.545,1051 7.623,1052 3.622,1053 4.111,1054 5.094,1056 7.794,1057 3.985,1058 7.687,1059 1.505,1060 9.281,1061 3.362,1062 6.286,1063 7.545,1064 0.354,1065 10.972,1066 6.167,1067 9.037,1068 1.395,1069 11.014,1070 3.329,1071 6.608,1072 8.304,1074 12.788,1075 6.434,1076 10.431,1077 1.347,1078 12.794,1079 3.206,1080 8.172,1081 10.193,1082 0.157,1083 15.465,1084 7.997,1085 11.856,1086 1.247,1087 14.608,1088 2.945,1089 8.953,1090 11.371,1092 17.629,1093 8.731,1094 13.305,1095 1.141,1096 16.444,1097 2.902,1098 10.266,1099 13.04,1100 0.069,1101 20.141,1102 10.034,1103 3.226,1104 1.02,1105 18.296,1106 2.59,1107 11.263,1108 14.409,1110 22.447,1111 10.991,1112 3.19,1113 11.348,1114 20.16,1115 2.431,1116 12.479,1117 15.988,1118 0.03,1119 24.899,1120 12.188,1121 2.532,1122 10.98,1123 22.032,1124 4.588,1125 13.571,1126 17.442,1128 27.266,1129 13.246,1130 2.43,1131 8.37,1132 23.912,1133 4.564,1134 14.751,1135 18.985,1136 0.013,1137 29.696,1138 14.402,1139 2.182,1140 7.839,1141 25.797,1142 3.437,1143 15.884,1144 20.476,1146 32.09,1147 15.504,1148 2.12,1149 6.711,1150 27.687,1151 3.264,1152 17.052,1153 22.006,1154 0.006,1155 34.512,1156 16.647,1157 1.927,1158 6.305,1159 29.581,1160 2.943,1161 18.204,1162 23.513,1164 36.918,1165 17.768,1166 28970,1167 43256,1168 29.008,1169 51.04,1170 61.053,1171 62.117,1172 62.761,1173 61.339,1174 61.22,1175 78.352,1176 2.115,1177 168.992,1178 58.989,1179 5.613,1180 5.387,1181 6.774,1182 5.247,1183 5.226,1184 7.588,1185 1.315,1186 18.879,1187 5.162,1188 12.465,1189 1.454,1190 1.479,1191 1.494,1192 1.46,1193 1.458,1194 1.866,1195 0.05,1196 4.024,1197 1.404,1198 4.123,1199 4.153,1200 4.135,1201 4.05,1202 6.469,1203 4.054,1204 4.068,1205 4.089,1206 4.068,1207 4.003,1208 5.014,1209 4.007,1210 3.801,1211 3.866,1212 3.644,1213 3.679,1214 4.967,1215 3.661,1216 3.732,1217 3.781,1218 3.615,1219 3.648,1220 4.648,1221 3.634,1222 3.661,1223 3.736,1224 3.54,1225 3.508,1226 4.413,1227 3.499,1228 3.539,1229 3.603,1230 3.508,1231 3.418,1232 4.329,1233 3.41,1234 3.406,1235 3.475,1236 3.387,1237 3.246,1238 4.255,1239 3.237,1240 3.263,1241 3.332,1242 3.237,1243 3.129,1244 4.105,1245 3.117,1246 0.11,1247 0.081,1248 0.163,1249 0.1,1250 0.077,1251 4.64,1252 0.109,1253 3.387,1254 0.016,1255 6.829,1256 0.27,1257 4.207,1258 0.075,1259 3.226,1260 4.588,1261 0.657,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.439,1269 2.163,1270 2.03,1271 2.014,1272 2.083,1273 2.115,1274 1.414,1275 2.11,1276 1.807,1277 1.745,1278 2.05,1279 1.967,1280 1.273,1281 2,1282 1.754,1283 1.709,1284 1.95,1285 1.873,1286 1.231,1287 1.902,1288 1.664,1289 1.595,1290 1.918,1291 1.856,1292 1.145,1293 1.88,1294 1.534,1295 1.482,1296 1.755,1297 1.718,1298 1.011,1299 1.736,1300 1.405,1301 1.335,1302 1.65,1303 1.59,1304 0.845,1305 1.614,1306 1.262,1307 1.202,1308 1.5,1309 1.449,1310 0.758,1311 1.471,1312 4.443,1314 5.733,1316 7.239,1318 8.861,1320 10.552,1323 6.374,1327 10.531,1328 16.068,1329 7.237,1340 47.11,1341 108.412,1342 261.756,1343 350.223,1344 412.568,1345 439.033,1346 450.543,1347 67.436,1348 8.482,1349 70.07,1350 70.07,1351 30,1352 12.841,1353 4.524,1354 3.585,1355 60.069,1356 267,1357 190,1358 0.105,1359 290.991,1360 498.36,1361 701.777,1362 88928,1363 1.3,1364 26.158,1365 0.688,1366 0.605,1367 26.658,1368 22.994,1369 18.72,1370 0.446,1371 0.35,1372 14.263,1373 18.093,1374 13.96,1375 11.583,1376 19.009,1377 14.701,1378 15.874,1379 0.283,1380 0.194,1381 16.244,1382 10.888,1383 13.703,1384 0.18,1385 0.106,1386 14.035,1387 8.024,1388 11.665,1389 0.115,1390 0.059,1391 12.024,1392 5.927,1393 9.858,1394 0.075,1395 0.033,1396 10.219,1397 4.331,1398 0.179,1399 117.891,1400 0.186,1401 36.107,1402 0.255,1403 196,1404 442.309,1405 220.506,1406 471.425,1407 652.58,1408 444,1409 230,1410 467.992,1411 251.918,1412 488.275,1413 720.98,1414 464,1415 9}
{0 CHEMBL1172830,1 1.472,2 8.85,3 1.882,4 3.542,5 77.048,6 6.958,7 0.571,8 3.737,9 3.864,10 3.243,11 3.227,12 4.842,13 3.204,14 4.245,15 4.436,16 3.579,17 3.59,18 5.362,19 3.548,20 4.482,21 4.674,22 3.536,23 3.757,24 5.494,25 3.656,26 4.621,27 4.899,28 3.452,29 3.671,30 5.569,31 3.538,32 4.435,33 4.676,34 3.371,35 3.458,36 5.537,37 3.385,38 4.221,39 4.428,40 3.157,41 3.284,42 5.326,43 3.217,44 3.993,45 4.208,46 3.092,47 3.231,48 5.12,49 3.151,50 4.056,51 4.277,52 2.882,53 3.215,54 5.164,55 3.107,56 0.019,57 0.547,58 8.596,59 3.426,60 5.86,61 4.723,62 0.333,63 0.842,64 15.602,65 5.266,66 26.88,67 7.585,68 0.144,69 1.014,70 19.567,71 7.45,72 21.628,73 10.296,74 0.225,75 1.038,76 24.001,77 8.341,78 36.045,79 12.175,80 0.249,81 0.828,82 20.223,83 6.369,84 42.186,85 8.789,86 0.387,87 0.659,88 16.551,89 5.075,90 38.363,91 6.573,92 0.112,93 0.602,94 12.235,95 4.345,96 22.538,97 6.107,98 0.264,99 0.625,100 13.598,101 4.057,102 42.529,103 5.707,104 18,105 29,106 0.265,107 0.534,108 0.62,109 0.733,110 0.761,111 0.761,112 3.056,113 0.942,114 -0.46,115 -0.59,116 -0.73,121 41,126 3,144 9,146 3,161 1,176 6,179 1,180 2,183 2,185 2,187 7,189 2,192 1,197 2,200 3,203 1,206 7,208 1,211 3,216 1,219 5,224 1,232 3,234 1,237 1,238 1,239 4,251 6,264 6,266 2,277 3,279 2,281 480,282 12.903,283 12.903,284 12.903,285 12.903,286 12.903,287 11.312,288 16.728,289 7.745,290 13.2,291 10.407,292 10.407,293 10.407,294 10.407,295 10.407,296 8.06,297 25.675,298 3.731,299 10.906,300 3.813,301 2.316,302 1.841,303 1.212,304 1.059,305 1.059,306 3.711,310 1,311 1,312 1,313 364,314 3.536,318 143.73,325 1.38,326 13.918,328 1,329 1,330 1,331 1,332 0.5,333 0.5,334 1,335 1,336 0.86,337 43,338 177,339 4.453,340 3.692,341 7.116,342 4.24,343 3.32,344 3.869,345 2.186,346 11.69,347 3.058,348 3.988,349 3.64,350 5.583,351 3.624,352 2.68,353 3.478,354 1.2,355 7.688,356 2.53,357 3.806,358 2.678,359 5.353,360 3.409,361 2.452,362 3.132,363 0.366,364 7.027,365 2.329,366 3.426,367 2.515,368 4.741,369 2.983,370 2,371 2.651,373 5.276,374 1.944,375 2.907,376 1.743,377 4.414,378 2.493,379 1.526,380 2.055,382 4.222,383 1.47,384 2.821,385 1.519,386 3.572,387 2.354,388 1.362,389 1.928,391 2.986,392 1.345,393 2.57,394 1.156,395 3.483,396 2.103,397 1.111,398 1.6,400 2.533,401 1.101,402 2.5,403 1,404 3.247,405 2,406 1,407 1.5,409 2.136,410 1,411 1.218,412 0.74,413 2.882,414 0.916,420 1.152,421 0.315,422 2.713,423 0.678,424 -0.327,425 -0.446,427 -0.767,428 -0.322,429 0.671,430 -0.408,431 2.245,432 0.237,433 -0.741,434 -0.975,436 -1.965,437 -0.72,438 0.53,439 -0.6,440 2,441 0.033,442 -1,443 -1,445 -2.259,446 -0.9,447 0.5,448 -0.6,449 2,451 -1,452 -1,454 -2.347,455 -0.9,456 0.382,457 -0.643,458 1.692,459 -0.034,460 -1,461 -1.328,463 -2.692,464 -0.959,466 -0.83,467 1.56,468 -0.1,469 -1,470 -1.5,472 -3,473 -1,474 9.467,475 0.473,476 0.637,477 0.032,478 27.25,479 1.363,480 14.5,481 0.725,482 12.75,483 0.638,484 12.698,485 0.635,486 22.033,487 0.565,488 19.363,489 0.968,490 5.761,491 0.288,492 3.687,493 0.184,494 0.194,495 0.042,496 0.211,501 0.842,502 1.505,503 0.855,504 1.21,505 0.654,506 1.054,507 0.748,508 0.862,509 0.844,510 0.782,511 0.386,512 0.798,513 1.066,514 1.312,515 1.197,516 1.309,517 0.866,518 1.279,519 0.732,520 0.985,521 0.783,522 0.983,523 0.693,524 0.905,525 1.662,526 0.95,527 0.978,528 0.932,529 1.679,530 0.87,531 2.317,532 0.722,533 1.279,534 0.771,535 1.962,536 0.885,537 1.128,538 1.109,539 0.965,540 1.012,541 1.452,542 0.973,543 1.973,544 0.808,545 1.504,546 0.825,547 2.958,548 1.045,549 5.5,550 0.062,551 1.778,552 1.438,553 0.871,554 0.59,555 0.405,556 0.101,557 0.18,558 0.121,559 3717,560 8710,561 1.955,562 48.7,564 18,567 1,572 1.615,573 1.805,574 3.153,575 -0.32,577 1,579 1,582 57.42,583 1.472,584 2.969,585 3.444,586 4.073,587 4.227,588 4.227,589 2.546,590 3.684,591 4.297,592 3.304,593 627.807,594 7.323,595 6590.96,596 1,597 1,599 1,600 206.131,601 1.619,602 4.225,603 0.262,604 0.008,605 0.061,606 0.055,607 0.038,608 0.028,609 0.024,610 0.006,611 0.014,612 0.01,613 0.506,614 0.67,615 1,616 0.897,617 89.652,618 -0.016,619 -0.292,620 0.054,621 -0.14,622 -0.088,623 -0.051,624 0.291,625 0.291,626 0.127,627 0.195,628 0.289,629 0.154,630 -0.123,631 -0.262,632 -0.256,633 -0.288,634 -0.113,635 -0.292,636 0.138,637 -0.08,638 0.197,639 -0.027,640 0.143,641 0.077,642 -0.125,643 -0.041,644 0.073,645 -0.002,646 -0.035,647 0.058,648 -0.27,649 0.197,650 -0.183,651 0.156,652 -0.256,653 0.009,654 -0.09,655 -0.094,656 0.007,657 -0.022,658 0.013,659 0.001,660 -0.497,661 0.241,662 -0.477,663 0.09,664 -0.617,665 -0.145,666 2.158,667 4.804,668 0.6,669 14.2,670 0.997,671 1.127,672 -0.772,673 0.596,674 0.651,675 3.091,676 3.401,677 3.497,678 3.664,679 3.807,680 3.664,681 3.738,682 3.555,683 3.584,684 3.526,685 5.466,686 0.614,687 271.37,688 3.091,689 4.615,690 5.407,691 6.267,692 7.079,693 7.938,694 8.759,695 9.615,696 10.441,697 11.296,698 5.1,705 1,712 1,715 9,720 3,722 12,737 1,741 39,743 13,744 2,745 21,747 40,748 16,749 12,750 3,751 9,756 2,757 2,772 13,773 3,777 1,782 1,786 1,789 1,790 1,793 19,794 3,795 1,796 4,802 2,803 1,807 1,808 1,809 2,829 2,859 2,864 3,868 20,877 1,878 1,883 1,893 5.1,896 1,898 1,901 11.083,902 7.833,903 4.333,904 2.229,907 2.104,908 1.342,909 0.92,910 4.301,911 8.248,912 3.367,913 3.912,914 4.331,915 4.834,916 5.29,917 5.16,918 5.398,919 5.38,920 5.455,921 5.719,922 0.833,923 26,924 7.352,926 2.96,927 0.026,929 7.758,931 13.945,933 10.751,936 2.258,937 45.167,938 0.001,941 211.88,942 127.995,943 18.011,945 36.145,948 127.995,949 248.025,950 18.011,951 25.189,952 18.011,953 85.286,954 25.145,955 21.757,956 6.763,957 211.88,959 211.88,960 146.006,961 36.145,964 211.88,965 36.145,968 18.011,969 127.995,972 211.88,973 54.156,974 127.995,977 211.88,978 17.519,979 110.475,980 18.011,981 36.145,982 211.88,983 54.156,984 127.995,986 0.584,987 0.305,988 0.153,989 0.083,990 13,991 6,992 0.1,993 4,995 1,996 3.224,997 138.228,999 12,1000 77.684,1005 14.41,1006 5.97,1007 4.267,1009 54.156,1010 16.732,1015 2.305,1017 18.011,1018 394.03,1019 28,1024 11.804,1028 -0.491,1031 38.869,1032 43.945,1034 0.279,1035 0.562,1036 0.652,1037 0.771,1038 0.8,1039 0.8,1040 4.585,1041 1,1042 5.434,1043 2.533,1044 4.078,1045 4.595,1046 2.438,1047 6.229,1048 3.98,1049 5.801,1051 6.995,1052 2.136,1053 3.892,1054 4.35,1055 2.014,1056 7.424,1057 3.671,1058 7.105,1059 -0.327,1060 8.677,1062 5.727,1063 6.689,1064 3.554,1065 10.355,1066 5.492,1067 8.441,1068 -0.741,1069 10.437,1070 -0.767,1071 6.312,1072 7.124,1073 3.656,1074 12.369,1075 5.929,1076 9.805,1077 -1,1078 12.249,1079 -1.965,1080 7.721,1081 9.032,1082 4.927,1083 14.949,1084 7.319,1085 11.191,1086 -1,1087 14.098,1088 -2.259,1089 8.643,1090 9.811,1091 5.307,1092 17.255,1093 8.102,1094 12.592,1095 -1,1096 15.975,1097 -2.347,1098 9.899,1099 11.498,1100 6.394,1101 19.744,1102 9.317,1103 3.32,1104 -1,1105 17.872,1106 -2.692,1107 10.971,1108 12.479,1109 6.935,1110 22.15,1111 10.267,1112 2.68,1113 11.69,1114 19.784,1115 -3,1116 12.176,1117 14.036,1118 7.904,1119 24.616,1120 11.411,1121 2.452,1122 7.688,1123 21.709,1124 3.869,1125 13.315,1126 15.144,1127 8.541,1128 27.056,1129 12.443,1130 2,1131 7.027,1132 23.642,1133 3.478,1134 14.506,1135 16.619,1136 9.436,1137 29.516,1138 13.561,1139 1.526,1140 5.276,1141 25.583,1142 3.132,1143 15.675,1144 17.81,1145 10.131,1146 31.968,1147 14.633,1148 1.362,1149 4.222,1150 27.528,1151 2.651,1152 16.864,1153 19.235,1154 10.982,1155 34.427,1156 15.744,1157 1.111,1158 2.986,1159 29.478,1160 2.055,1161 18.048,1162 20.48,1163 11.71,1164 36.883,1165 16.836,1166 3775,1167 5924,1168 13.405,1169 25.392,1170 31.612,1171 31.786,1172 31.069,1173 31.024,1174 30.902,1175 40.427,1176 7.505,1177 87.115,1178 29.553,1179 5.32,1180 5.692,1181 6.918,1182 5.316,1183 5.32,1184 6.869,1185 3.889,1186 18.668,1187 5.058,1188 10.727,1189 1.505,1190 1.514,1191 1.479,1192 1.477,1193 1.472,1194 1.925,1195 0.357,1196 4.148,1197 1.407,1198 3.99,1199 4.034,1200 3.927,1201 3.874,1202 7.435,1203 3.881,1204 3.891,1205 3.928,1206 3.821,1207 3.814,1208 4.84,1209 3.81,1210 3.611,1211 3.675,1212 3.493,1213 3.388,1214 4.756,1215 3.398,1216 3.362,1217 3.385,1218 3.298,1219 3.062,1220 4.363,1221 3.122,1222 2.881,1223 3.009,1224 2.768,1225 2.735,1226 4.133,1227 2.733,1228 2.874,1229 3.009,1230 2.687,1231 2.733,1232 3.84,1233 2.715,1234 2.874,1235 2.93,1236 2.608,1237 2.618,1238 3.674,1239 2.604,1240 2.854,1241 2.925,1242 2.534,1243 2.618,1244 3.502,1245 2.57,1246 0.212,1247 0.176,1248 0.339,1249 0.202,1250 0.158,1251 4.453,1252 0.184,1253 3.692,1254 0.104,1255 7.116,1256 0.557,1257 4.24,1258 0.146,1259 3.32,1260 3.869,1261 2.186,1262 11.69,1263 3.058,1264 1.931,1265 1.897,1266 2.061,1267 2.089,1268 1.229,1269 2.084,1270 1.883,1271 1.851,1272 2.009,1273 1.988,1274 1.06,1275 1.995,1276 1.567,1277 1.489,1278 1.811,1279 1.791,1280 0.901,1281 1.799,1282 1.192,1283 1.168,1284 1.417,1285 1.519,1286 0.469,1287 1.461,1288 0.934,1289 0.821,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.934,1295 0.812,1296 1.327,1297 1.239,1298 0.281,1299 1.308,1300 0.886,1301 0.804,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.861,1307 0.804,1308 1.116,1309 1.06,1310 0.176,1311 1.075,1312 3.761,1314 5.069,1316 6.555,1318 8.117,1320 9.716,1322 6.176,1329 2.682,1330 5.294,1335 0.664,1340 23.95,1341 57.42,1342 115.788,1343 134.317,1344 158.846,1345 164.846,1346 164.846,1347 29.915,1348 6.144,1349 38.33,1350 38.33,1351 12,1352 11.856,1353 3.807,1354 3,1355 36.553,1356 66,1357 58,1358 0.275,1359 152.014,1360 261.26,1361 362.674,1362 3211,1364 14.588,1365 0.729,1366 0.601,1367 14.588,1368 12.013,1369 9.449,1370 0.45,1371 0.314,1372 6.477,1373 9.052,1374 6.215,1375 5.301,1376 9.449,1377 6.594,1378 9.176,1379 0.316,1380 0.195,1381 9.176,1382 5.658,1383 6.204,1384 0.194,1385 0.092,1386 6.204,1387 2.931,1388 4.949,1389 0.13,1390 0.047,1391 4.949,1392 1.798,1393 3.813,1394 0.087,1395 0.026,1396 3.813,1397 1.144,1398 0.432,1399 59.387,1400 0.273,1401 20.137,1402 0.748,1403 100,1404 280.137,1405 110.916,1406 271.396,1407 367.65,1408 252,1409 111,1410 273.134,1411 121.478,1412 277.647,1413 396.1,1414 258,1415 5.727}
{0 CHEMBL1172913,1 1.427,2 10.407,3 3.058,4 9.354,5 106.014,6 6.664,7 0.4,8 4.093,9 4.225,10 3.58,11 3.597,12 5.088,13 3.563,14 4.687,15 4.889,16 4.024,17 4.061,18 5.636,19 4.013,20 4.976,21 5.162,22 4.122,23 4.311,24 5.872,25 4.217,26 5.244,27 5.519,28 4.038,29 4.362,30 6.058,31 4.221,32 5.154,33 5.411,34 3.85,35 4.225,36 6.066,37 4.057,38 5.06,39 5.373,40 3.606,41 3.943,42 5.881,43 3.779,44 4.516,45 4.741,46 3.535,47 3.68,48 5.512,49 3.588,50 4.453,51 4.659,52 3.454,53 3.629,54 5.527,55 3.55,56 0.044,57 0.805,58 13,59 5.078,60 9.753,61 7.247,62 0.437,63 1.356,64 24.851,65 8.494,66 33.07,67 12.539,68 0.194,69 1.774,70 32.503,71 12.293,72 28.007,73 17.691,74 0.421,75 2.065,76 44.169,77 14.661,78 47.625,79 22.171,80 0.346,81 1.77,82 40.229,83 14.69,84 57.783,85 21.073,86 0.582,87 1.402,88 38.353,89 12.266,90 66.709,91 17.717,92 0.288,93 0.967,94 21.388,95 7.477,96 31.195,97 10.439,98 0.391,99 0.926,100 20.427,101 6.361,102 40.432,103 8.901,104 37,105 47,106 0.237,107 0.562,108 0.781,109 0.84,110 0.852,111 0.852,112 3.34,113 0.964,114 -1.47,115 -1.55,116 -1.6,121 40,122 2,123 1,125 1,126 3,127 1,130 1,144 7,145 2,146 3,161 1,176 10,179 1,180 5,182 1,183 2,185 2,187 11,189 2,192 6,197 3,200 9,203 2,206 7,211 3,214 4,216 2,218 1,219 10,224 2,227 2,229 1,232 3,234 1,237 1,239 4,243 1,244 2,247 1,249 2,251 10,258 1,263 1,264 10,269 2,277 9,281 993,282 17.504,283 17.504,284 17.504,285 17.504,286 17.504,287 15.884,288 25.771,289 9.776,290 17.887,291 14.756,292 14.756,293 14.756,294 14.756,295 14.756,296 12.295,297 36.536,298 4.612,299 15.401,300 4.354,301 2.395,302 1.08,303 0.723,304 0.65,305 0.65,306 4.027,310 1,311 1,312 1,313 613,314 3.808,317 103.089,318 146.776,320 83.388,321 88.748,324 124.252,325 1.547,326 18.836,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 57.5,338 281,339 4.909,340 4.11,341 8.167,342 4.804,343 3.842,344 4.228,345 2.186,346 15.951,347 3.712,348 4.206,349 3.681,350 7.028,351 3.974,352 3.039,353 3.788,354 1.25,355 11.413,356 2.83,357 4.171,358 3.362,359 6.18,360 3.811,361 2.837,362 3.468,363 0.8,364 8.766,365 2.763,366 3.814,367 2.907,368 6.054,369 3.539,370 2.582,371 3.031,372 0.366,373 8.694,374 2.466,375 3.622,376 2.744,377 5.631,378 3.366,379 2.431,380 2.761,382 7.399,383 2.256,384 3.382,385 2.597,386 5.359,387 3.004,388 2.033,389 2.577,391 6.066,392 1.953,393 2.879,394 1.888,395 4.783,396 2.571,397 1.618,398 2.041,400 5.145,401 1.535,402 2.835,403 1.669,404 4.348,405 2.414,406 1.414,407 1.93,409 3.558,410 1.414,411 2.788,412 1.472,413 4.081,414 2.359,415 1.369,416 1.857,418 3.089,419 1.348,420 2.519,421 1.186,422 3.781,423 2.135,424 1.142,425 1.523,427 2.958,428 1.133,429 1.818,430 0.939,431 3.595,432 1.735,433 0.764,434 0.797,436 1.926,437 0.739,438 1.416,439 0.758,440 3.157,441 1.132,442 0.186,443 0.217,445 0.463,446 0.174,447 1.244,448 0.488,449 3,450 0.892,451 -0.072,452 -0.083,454 -0.186,455 -0.068,456 0.858,457 0.103,458 2.995,459 0.726,460 -0.216,461 -0.236,463 -0.574,464 -0.202,465 0.787,466 -0.042,467 2.814,468 0.41,469 -0.578,470 -0.701,472 -1.387,473 -0.562,474 12.867,475 0.477,476 1.037,477 0.038,478 33,479 1.222,480 15,481 0.556,482 18,483 0.667,484 26.1,485 0.967,486 30.033,487 0.546,488 24.988,489 0.925,490 6.339,491 0.235,492 6.382,493 0.236,494 0.22,495 0.07,496 0.303,501 0.843,502 1.523,503 0.881,504 1.219,505 0.658,506 1.073,507 0.779,508 0.821,509 0.791,510 0.718,511 0.364,512 0.731,513 0.969,514 1.463,515 1.136,516 1.334,517 0.712,518 1.268,519 0.974,520 0.924,521 1.019,522 0.949,523 0.615,524 0.965,525 0.989,526 1.195,527 1.098,528 1.285,529 1.155,530 1.223,531 1.546,532 0.571,533 0.793,534 0.585,535 1.55,536 0.613,537 1.441,538 1.027,539 0.992,540 1.019,541 1.428,542 0.978,543 2.187,544 0.86,545 1.316,546 0.867,547 2.74,548 0.981,549 8,550 0.216,551 4.667,552 4.271,553 1.953,554 0.875,555 0.709,556 0.332,557 0.336,558 0.266,559 8667,560 17327,561 2.035,562 50.9,563 6,564 18,565 1,567 1,569 2,572 1.699,573 1.841,574 3.305,575 -0.382,576 1,577 1,582 78.506,583 1.427,584 3.386,585 4.701,586 5.058,587 5.131,588 5.131,589 2.707,590 4.607,591 4.729,592 3.499,593 1228.3,594 8.197,595 15468.6,597 1,599 1,600 317.975,601 1.808,602 4.64,603 0.267,604 0.01,605 0.099,606 0.087,607 0.045,608 0.027,609 0.026,610 0.013,611 0.014,612 0.012,613 0.6,614 0.67,615 1,616 0.658,617 132.891,618 0.01,619 -0.27,620 0.082,621 -0.102,622 -0.058,623 -0.019,624 0.265,625 0.358,626 0.21,627 0.29,628 0.272,629 0.256,630 -0.075,631 -0.337,632 -0.173,633 -0.271,634 -0.033,635 -0.243,636 -0.081,637 0.086,638 -0.038,640 0.077,641 -0.002,642 0.039,643 -0.262,644 -0.121,645 -0.292,646 0.01,647 -0.234,648 -0.042,649 0.22,650 0.247,651 0.32,652 -0.074,653 0.315,654 0.039,655 -0.052,656 0.036,657 -0.025,658 -0.002,659 -0.006,660 -0.26,661 0.182,662 -0.236,663 0.085,664 -0.37,665 -0.057,666 2.125,667 5.362,668 0.667,669 22.642,670 0.991,671 1.129,672 0.242,673 0.059,674 0.644,675 3.434,676 3.871,677 4.19,678 4.543,679 4.745,680 4.804,681 4.997,682 5.075,683 5.075,684 5.147,685 6.244,686 0.601,687 366.53,688 3.434,689 5.043,690 5.938,691 6.887,692 7.805,693 8.761,694 9.695,695 10.656,696 11.6,697 12.566,698 5.5,704 1,705 1,712 1,715 7,720 5,722 12,736 1,737 1,741 55,743 13,744 2,745 30,747 58,748 22,749 12,750 5,751 7,756 4,757 7,763 2,764 1,766 1,767 1,770 1,772 13,773 9,777 1,782 1,786 1,789 1,790 1,793 28,794 4,795 1,796 5,802 3,803 1,807 1,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,859 2,864 5,868 27,876 2,877 1,878 1,880 1,881 1,882 1,883 1,893 3.6,896 1,898 1,901 14.667,902 11.45,903 5.611,904 3.365,907 2.181,908 1.282,909 0.943,910 4.242,911 9.924,912 3.638,913 4.248,914 4.762,915 5.314,916 5.795,917 5.948,918 6.291,919 6.57,920 6.716,921 6.91,922 0.857,923 49,924 10.02,926 4.318,927 0.026,929 7.577,931 19.595,933 16.82,936 2.077,937 56.083,940 1,941 317.82,942 137.704,943 21.135,945 36.145,948 137.704,949 353.965,950 21.135,951 42.84,952 22.651,953 66.334,954 25.145,955 31.252,956 18.534,957 306.049,959 317.82,960 158.839,961 36.145,964 294.278,965 59.687,968 40.301,969 118.538,972 317.82,973 57.28,974 137.704,977 317.82,978 28.531,979 112.298,980 18.011,981 36.145,982 317.82,983 57.28,984 137.704,986 0.612,987 0.365,988 0.202,989 0.107,990 26,991 12,992 0.052,993 3,994 2,995 1.222,996 3.725,997 245.354,998 0.222,999 18,1000 124.382,1005 18.33,1006 6.249,1007 2.915,1009 57.28,1010 13.692,1015 4.879,1017 18.011,1018 512.804,1019 37,1024 12.362,1028 -0.458,1031 54.505,1032 62.104,1034 0.247,1035 0.586,1036 0.813,1037 0.875,1038 0.887,1039 0.887,1040 4.963,1041 1.414,1042 6.028,1043 5.145,1044 4.554,1045 4.934,1046 2.544,1047 7.015,1048 4.471,1049 6.218,1050 1.369,1051 7.71,1052 3.558,1053 4.575,1054 4.945,1055 2.064,1056 8.527,1057 4.437,1058 7.584,1059 1.142,1060 9.513,1061 3.089,1062 6.389,1063 7.095,1064 3.583,1065 11.674,1066 6.22,1067 8.985,1068 0.764,1069 11.392,1070 2.958,1071 7.194,1072 7.822,1073 3.674,1074 14.018,1075 6.979,1076 10.419,1077 0.186,1078 13.321,1079 1.926,1080 8.617,1081 9.555,1082 4.936,1083 16.854,1084 8.374,1085 11.878,1086 -0.072,1087 15.287,1088 0.463,1089 9.738,1090 10.609,1091 5.313,1092 19.481,1093 9.459,1094 13.357,1095 -0.216,1096 17.28,1097 -0.186,1098 11.066,1099 12.176,1100 6.397,1101 22.255,1102 10.758,1103 3.842,1104 -0.578,1105 19.294,1106 -0.574,1107 12.313,1108 13.396,1109 6.937,1110 24.975,1111 11.972,1112 3.039,1113 15.951,1114 21.325,1115 -1.387,1116 13.628,1117 14.887,1118 7.905,1119 27.739,1120 13.258,1121 2.837,1122 11.413,1123 23.369,1124 4.228,1125 14.926,1126 16.197,1127 8.542,1128 30.49,1129 14.525,1130 2.582,1131 8.766,1132 25.423,1133 3.788,1134 16.248,1135 17.652,1136 9.437,1137 33.255,1138 15.816,1139 2.431,1140 8.694,1141 27.486,1142 3.468,1143 17.57,1144 19.012,1145 10.131,1146 36.016,1147 17.106,1148 2.033,1149 7.399,1150 29.556,1151 3.031,1152 18.9,1153 20.451,1154 10.982,1155 38.783,1156 18.405,1157 1.618,1158 6.066,1159 31.631,1160 2.761,1161 20.233,1162 21.841,1163 11.711,1164 41.549,1165 19.705,1166 8291,1167 11897,1168 19.186,1169 35.444,1170 47.138,1171 47.732,1172 49.126,1173 46.569,1174 46.512,1175 56.439,1176 9.205,1177 150.855,1178 44.65,1179 5.873,1180 6.11,1181 7.855,1182 5.895,1183 5.842,1184 7.228,1185 3.889,1186 24.922,1187 5.712,1188 15.951,1189 1.571,1190 1.591,1191 1.638,1192 1.552,1193 1.55,1194 1.881,1195 0.307,1196 5.029,1197 1.488,1198 4.126,1199 4.171,1200 4.067,1201 4.014,1202 7.435,1203 4.022,1204 3.928,1205 3.961,1206 3.865,1207 3.855,1208 4.845,1209 3.852,1210 3.768,1211 3.814,1212 3.684,1213 3.619,1214 4.746,1215 3.627,1216 3.43,1217 3.474,1218 3.364,1219 3.184,1220 4.471,1221 3.198,1222 3.33,1223 3.411,1224 3.156,1225 3.105,1226 4.188,1227 3.124,1228 3.255,1229 3.327,1230 3.1,1231 3.032,1232 3.945,1233 3.029,1234 3.169,1235 3.256,1236 2.962,1237 2.987,1238 3.932,1239 2.989,1240 2.994,1241 3.107,1242 2.715,1243 2.791,1244 3.886,1245 2.757,1246 0.164,1247 0.137,1248 0.272,1249 0.16,1250 0.128,1251 4.909,1252 0.141,1253 4.11,1254 0.073,1255 8.167,1256 0.532,1257 4.804,1258 0.124,1259 3.842,1260 4.228,1261 2.186,1262 15.951,1263 3.712,1264 1.919,1265 1.894,1266 2.036,1267 2.026,1268 1.311,1269 2.026,1270 1.897,1271 1.874,1272 2.005,1273 2.003,1274 1.259,1275 2.003,1276 1.727,1277 1.647,1278 1.941,1279 1.96,1280 1.135,1281 1.964,1282 1.608,1283 1.55,1284 1.827,1285 1.778,1286 1.027,1287 1.8,1288 1.271,1289 1.216,1290 1.591,1291 1.577,1292 0.663,1293 1.56,1294 1.209,1295 1.129,1296 1.553,1297 1.452,1298 0.604,1299 1.47,1300 1.151,1301 1.086,1302 1.461,1303 1.418,1304 0.596,1305 1.436,1306 1.034,1307 0.924,1308 1.417,1309 1.301,1310 0.469,1311 1.363,1312 4.111,1314 5.517,1315 3.045,1316 7.116,1317 5.687,1318 8.807,1319 8.009,1320 10.556,1322 11.064,1328 2.269,1329 2.829,1330 5.606,1332 0.406,1333 2.388,1334 0.069,1335 0.978,1340 33.079,1341 78.506,1342 186.233,1343 258.549,1344 278.2,1345 282.2,1346 282.2,1347 43.347,1348 7.743,1349 41.57,1350 41.57,1351 22,1352 13.049,1353 3.807,1354 3,1355 40.377,1356 103,1357 97,1358 0.198,1359 201.576,1360 351.34,1361 483.605,1362 23942,1364 19.397,1365 0.718,1366 0.622,1367 19.397,1368 16.797,1369 12.721,1370 0.424,1371 0.321,1372 9.497,1373 12.242,1374 9.068,1375 7.609,1376 12.721,1377 9.641,1378 12.879,1379 0.274,1380 0.19,1381 12.879,1382 8.928,1383 10.651,1384 0.164,1385 0.101,1386 10.651,1387 6.575,1388 9.579,1389 0.103,1390 0.058,1391 9.579,1392 5.39,1393 7.484,1394 0.066,1395 0.032,1396 7.484,1397 3.606,1398 0.309,1399 79.571,1400 0.228,1401 25.676,1402 0.546,1403 154,1404 357.782,1405 167.719,1406 348.564,1407 488.69,1408 326,1409 189,1410 377.951,1411 204.141,1412 385.954,1413 569.05,1414 360,1415 7.836}
{0 CHEMBL1173090,1 1.348,2 15,3 5.671,4 32.161,5 144.531,6 6.55,7 0.45,8 4.374,9 4.505,10 3.844,11 3.918,12 5.348,13 3.869,14 4.964,15 5.159,16 4.26,17 4.371,18 5.88,19 4.301,20 5.28,21 5.485,22 4.358,23 4.608,24 6.121,25 4.496,26 5.505,27 5.772,28 4.307,29 4.671,30 6.289,31 4.517,32 5.499,33 5.768,34 4.204,35 4.606,36 6.312,37 4.434,38 5.418,39 5.711,40 4.125,41 4.478,42 6.176,43 4.317,44 5.197,45 5.447,46 4.132,47 4.391,48 6.072,49 4.267,50 5.173,51 5.411,52 4.07,53 4.338,54 6.15,55 4.218,56 0.075,57 1.046,58 17.446,59 7.182,60 13.13,61 10.108,62 0.467,63 1.786,64 32.639,65 12.135,66 38.505,67 17.565,68 0.291,69 2.365,70 44.436,71 17.228,72 35.815,73 24.718,74 0.44,75 2.776,76 56.593,77 20.664,78 56.343,79 30.413,80 0.486,81 2.628,82 56.475,83 21.19,84 67.196,85 30.503,86 0.539,87 2.339,88 52.644,89 19.126,90 60.446,91 27.607,92 0.424,93 2.016,94 41.796,95 15.389,96 46.41,97 22.042,98 0.521,99 1.914,100 41.39,101 14.684,102 65.829,103 20.575,104 38,105 60,106 0.209,107 0.51,108 0.726,109 0.825,110 0.845,111 0.845,112 3.616,113 0.99,114 -3.06,115 -3.06,116 -2.95,121 41.9,122 3,123 2,124 1,125 1,126 2,127 2,130 1,144 12,145 3,146 3,161 1,176 19,179 1,180 5,182 1,183 2,185 2,187 23,189 3,192 6,197 2,200 18,203 3,206 8,211 3,214 10,216 4,218 1,219 9,224 3,227 6,229 3,232 5,234 1,237 3,239 12,241 1,243 1,244 6,247 1,249 2,251 19,256 6,258 1,263 1,264 19,269 3,277 18,281 2574,282 23.849,283 23.849,284 23.849,285 23.849,286 23.849,287 21.583,288 33.416,289 13.639,290 24.242,291 19.69,292 19.69,293 19.69,294 19.69,295 19.69,296 16.234,297 42.616,298 6.455,299 20.35,300 4.862,301 2.914,302 1.521,303 0.882,304 0.754,305 0.754,306 4.315,312 1,313 1178,314 4.472,317 148.264,318 333.322,320 120.416,321 131.71,324 182.685,325 2.5,326 22.108,329 1,330 0.83,331 1,332 1,333 0.5,334 1,335 1,336 0.9,337 75.5,338 540,339 4.918,340 4.128,341 8.198,342 4.816,343 3.855,344 4.23,345 2.186,346 16.117,347 3.719,348 4.239,349 3.678,350 7.172,351 4.038,352 3.1,353 3.692,354 1.25,355 12.024,356 2.897,357 4.123,358 3.414,359 6.18,360 3.791,361 2.802,362 3.515,363 0.8,364 8.757,365 2.777,366 3.902,367 2.992,368 5.932,369 3.586,370 2.632,371 3.427,372 0.366,373 8.25,374 2.518,375 3.848,376 2.749,377 5.716,378 3.493,379 2.501,380 3.093,382 7.622,383 2.468,384 3.691,385 2.7,386 5.511,387 3.455,388 2.49,389 2.918,391 7.037,392 2.39,393 3.557,394 2.618,395 5.332,396 3.268,397 2.319,398 2.743,400 6.916,401 2.185,402 3.29,403 2.428,404 5.253,405 2.898,406 1.921,407 2.462,409 6.014,410 1.857,411 2.932,412 1.906,413 4.627,414 2.583,415 1.615,416 2.096,418 4.826,419 1.559,420 2.828,421 1.588,422 4.344,423 2.485,424 1.493,425 1.888,427 3.166,428 1.477,429 2.52,430 1.314,431 3.786,432 2.224,433 1.229,434 1.525,436 3.088,437 1.22,438 2.5,439 1.191,440 3.774,441 2.137,442 1.144,443 1.5,445 2.909,446 1.135,447 2.5,448 1,449 3.761,450 2,451 1,452 1.5,454 2.275,455 1,456 2.451,457 1,458 3.503,459 2,460 1,461 1.439,463 2.136,464 1,465 1.876,466 0.944,467 3.414,468 1.778,469 0.8,470 0.848,472 1.992,473 0.781,474 17.367,475 0.482,476 1.151,477 0.032,478 44,479 1.222,480 21,481 0.583,482 23,483 0.639,484 38.434,485 1.068,486 39.333,487 0.532,488 35.236,489 0.979,490 8.195,491 0.228,492 8.998,493 0.25,494 0.163,495 0.052,496 0.282,501 0.839,502 1.389,503 0.909,504 1.158,505 0.678,506 1.054,507 0.775,508 0.935,509 0.873,510 0.855,511 0.401,512 0.857,513 1.002,514 1.311,515 1.111,516 1.21,517 0.716,518 1.175,519 0.953,520 1.042,521 1.043,522 1.038,523 0.634,524 1.036,525 1.036,526 1.099,527 1.046,528 1.113,529 1.11,530 1.087,531 1.174,532 0.821,533 0.84,534 0.797,535 1.046,536 0.794,537 1.163,538 0.977,539 0.971,540 0.971,541 1.053,542 0.955,543 1.788,544 0.942,545 1.131,546 0.966,547 2.13,548 0.99,549 9.5,550 0.223,551 5.333,552 4.458,553 2.469,554 1.504,555 1.019,556 0.76,557 0.514,558 0.376,559 20915,560 40714,561 2.073,562 51.4,563 10,564 22,565 1,567 1,569 4,572 1.772,573 1.912,574 3.803,575 -0.465,582 99.743,583 1.348,584 3.295,585 4.688,586 5.327,587 5.456,588 5.456,589 3.378,590 4.725,591 5.132,592 4.015,593 2529.41,594 9.013,595 40638.6,600 459.5,601 1.676,602 5.078,603 0.237,604 0.006,605 0.089,606 0.071,607 0.043,608 0.031,609 0.021,610 0.016,611 0.011,612 0.01,613 0.535,614 0.5,615 0.75,616 0.718,617 197.91,618 0.03,619 -0.177,620 0.076,621 -0.055,622 -0.044,623 0.002,624 0.283,625 0.221,626 0.135,627 0.163,628 0.255,629 0.142,630 -0.061,631 -0.221,632 -0.126,633 -0.18,634 -0.023,635 -0.164,636 -0.048,637 -0.023,638 -0.057,639 -0.069,640 0.075,641 -0.06,642 0.023,643 -0.141,644 -0.056,645 -0.135,646 -0.009,647 -0.108,648 0.027,649 0.093,650 0.164,651 0.156,652 -0.012,653 0.168,654 0.042,655 0.031,656 0.037,657 0.009,658 0.005,659 0.021,660 -0.1,661 0.054,662 -0.085,663 0.003,664 -0.14,665 -0.035,666 2.129,667 5.649,668 0.667,669 50.278,670 0.985,671 1.124,672 1.831,673 3.354,674 0.652,675 3.714,676 4.111,677 4.419,678 4.745,679 4.984,680 5.094,681 5.308,682 5.442,683 5.517,684 5.645,685 8.444,686 0.604,687 484.72,688 3.714,689 5.303,690 6.184,691 7.111,692 8.018,693 8.957,694 9.883,695 10.832,696 11.771,697 12.729,698 4.1,704 1,705 1,712 1,715 12,720 6,722 18,736 1,737 1,741 74,743 19,744 3,745 40,747 78,748 31,749 18,750 6,751 12,756 5,757 8,763 3,764 1,766 1,767 1,770 2,772 19,773 12,774 1,777 1,782 1,786 1,793 38,794 4,795 1,796 5,802 3,803 1,807 1,808 0.6,809 2,825 1,828 2,829 3,831 1,832 1,835 1,859 3,864 5,868 36,876 4,877 1,878 1,880 2,881 1,882 1,883 1,893 2.7,896 1,898 1,901 18.833,902 14.7,903 7.653,904 4.719,907 2.975,908 1.344,909 0.954,910 6.608,911 11.627,912 3.932,913 4.516,914 5.032,915 5.566,916 6.062,917 6.199,918 6.544,919 6.817,920 7.009,921 7.295,922 1,923 63,924 13.375,926 5.726,927 0.026,929 7.502,931 26.404,933 22.647,936 2.002,937 72.083,941 435.531,942 193.34,943 21.135,945 36.145,948 193.34,949 471.676,950 21.135,951 43.268,952 27.291,953 113.715,954 25.145,955 34.438,956 18.534,957 423.76,959 435.531,960 214.475,961 36.145,964 388.446,965 83.229,968 53.767,969 160.708,972 435.531,973 57.28,974 193.34,977 435.531,978 36.357,979 160.108,980 18.011,981 36.145,982 435.531,983 57.28,984 193.34,986 0.6,987 0.352,988 0.189,989 0.102,990 31,991 14,992 0.09,993 7,994 2,995 1.167,996 4.59,997 356.807,998 0.167,999 24,1000 176.117,1005 24.858,1006 9.57,1007 4.681,1009 57.28,1010 24.813,1015 6.478,1017 18.011,1018 686.151,1019 50,1024 12.649,1028 -0.463,1031 72.923,1032 83.18,1034 0.217,1035 0.531,1036 0.755,1037 0.858,1038 0.879,1039 0.879,1040 5.228,1041 1.921,1042 6.24,1043 6.916,1044 4.796,1045 5.204,1046 2.544,1047 7.183,1048 4.729,1049 6.456,1050 1.615,1051 7.89,1052 6.014,1053 4.691,1054 5.075,1055 2.064,1056 8.631,1057 4.57,1058 7.798,1059 1.493,1060 9.664,1061 4.826,1062 6.569,1063 7.33,1064 3.583,1065 11.777,1066 6.425,1067 9.175,1068 1.229,1069 11.518,1070 3.166,1071 7.294,1072 7.939,1073 3.674,1074 14.114,1075 7.095,1076 10.588,1077 1.144,1078 13.429,1079 3.088,1080 8.739,1081 9.741,1082 4.936,1083 16.949,1084 8.515,1085 12.027,1086 1,1087 15.381,1088 2.909,1089 9.818,1090 10.697,1091 5.313,1092 19.583,1093 9.546,1094 13.489,1095 1,1096 17.366,1097 2.275,1098 11.149,1099 12.306,1100 6.397,1101 22.361,1102 10.848,1103 3.855,1104 0.8,1105 19.375,1106 2.136,1107 12.378,1108 13.454,1109 6.937,1110 25.089,1111 12.036,1112 3.1,1113 16.117,1114 21.403,1115 1.992,1116 13.693,1117 14.968,1118 7.905,1119 27.859,1120 13.318,1121 2.802,1122 12.024,1123 23.446,1124 4.23,1125 14.985,1126 16.229,1127 8.542,1128 30.618,1129 14.573,1130 2.632,1131 8.757,1132 25.501,1133 3.692,1134 16.308,1135 17.696,1136 9.437,1137 33.39,1138 15.862,1139 2.501,1140 8.25,1141 27.564,1142 3.515,1143 17.628,1144 19.025,1145 10.131,1146 36.16,1147 17.146,1148 2.49,1149 7.622,1150 29.636,1151 3.427,1152 18.96,1153 20.47,1154 10.982,1155 38.935,1156 18.444,1157 2.319,1158 7.037,1159 31.712,1160 3.093,1161 20.294,1162 21.841,1163 11.711,1164 41.711,1165 19.742,1166 19689,1167 27651,1168 26.235,1169 48.251,1170 61.872,1171 62.296,1172 63.671,1173 61.246,1174 61.214,1175 75.3,1176 9.205,1177 189.777,1178 59.327,1179 5.885,1180 6.128,1181 8,1182 5.908,1183 5.855,1184 7.23,1185 3.889,1186 25.155,1187 5.719,1188 19.856,1189 1.547,1190 1.557,1191 1.592,1192 1.531,1193 1.53,1194 1.882,1195 0.23,1196 4.744,1197 1.483,1198 4.138,1199 4.184,1200 4.077,1201 4.026,1202 7.435,1203 4.033,1204 3.95,1205 3.983,1206 3.884,1207 3.882,1208 4.849,1209 3.878,1210 3.911,1211 3.943,1212 3.837,1213 3.852,1214 4.749,1215 3.844,1216 3.762,1217 3.806,1218 3.683,1219 3.622,1220 4.738,1221 3.629,1222 3.549,1223 3.612,1224 3.44,1225 3.39,1226 4.452,1227 3.381,1228 3.42,1229 3.481,1230 3.28,1231 3.266,1232 4.195,1233 3.256,1234 3.335,1235 3.408,1236 3.191,1237 3.094,1238 4.126,1239 3.117,1240 3.238,1241 3.295,1242 3.086,1243 2.996,1244 3.938,1245 3.003,1246 0.123,1247 0.103,1248 0.205,1249 0.12,1250 0.096,1251 4.918,1252 0.106,1253 4.128,1254 0.055,1255 8.198,1256 0.403,1257 4.816,1258 0.093,1259 3.855,1260 4.23,1261 2.186,1262 16.117,1263 3.719,1264 1.94,1265 1.911,1266 2.073,1267 2.059,1268 1.371,1269 2.064,1270 1.93,1271 1.897,1272 2.069,1273 2.036,1274 1.31,1275 2.046,1276 1.901,1277 1.881,1278 2.004,1279 1.984,1280 1.252,1281 1.991,1282 1.722,1283 1.652,1284 1.912,1285 1.922,1286 1.114,1287 1.927,1288 1.61,1289 1.554,1290 1.828,1291 1.78,1292 1.027,1293 1.801,1294 1.54,1295 1.476,1296 1.796,1297 1.733,1298 0.909,1299 1.755,1300 1.294,1301 1.224,1302 1.601,1303 1.551,1304 0.79,1305 1.561,1306 1.211,1307 1.147,1308 1.545,1309 1.445,1310 0.644,1311 1.473,1312 4.394,1314 5.771,1315 3.045,1316 7.343,1317 5.687,1318 9.007,1319 8.015,1320 10.731,1322 11.306,1328 4.415,1329 2.86,1330 5.734,1332 0.815,1333 2.452,1334 0.012,1335 1.014,1340 44.713,1341 99.743,1342 243.854,1343 346.931,1344 394.215,1345 403.725,1346 403.725,1347 62.08,1348 8.653,1349 41.57,1350 41.57,1351 28,1352 13.217,1353 4.322,1354 3.459,1355 54.725,1356 179,1357 200,1358 0.148,1359 271.731,1360 475.86,1361 654.784,1362 78972,1364 25.501,1365 0.708,1366 0.616,1367 25.501,1368 22.175,1369 17.193,1370 0.43,1371 0.33,1372 13.057,1373 16.715,1374 12.541,1375 10.497,1376 17.193,1377 13.196,1378 16.59,1379 0.277,1380 0.192,1381 16.59,1382 11.541,1383 13.911,1384 0.17,1385 0.106,1386 13.911,1387 8.692,1388 12.058,1389 0.106,1390 0.06,1391 12.058,1392 6.785,1393 9.646,1394 0.067,1395 0.033,1396 9.646,1397 4.837,1398 0.236,1399 106.331,1400 0.195,1401 33.28,1402 0.394,1403 200,1404 435.782,1405 214.052,1406 430.359,1407 606.3,1408 404,1409 242,1410 467.233,1411 257.307,1412 478.619,1413 702.83,1414 449,1415 6.523}
{0 CHEMBL1173543,1 1.614,2 7.813,3 2.02,4 4.079,5 58.385,6 8.24,7 0.706,8 3.374,9 3.473,10 3.021,11 2.919,12 4.63,13 2.931,14 3.79,15 3.912,16 3.293,17 3.199,18 5.138,19 3.186,20 3.97,21 4.155,22 3.175,23 3.183,24 5.126,25 3.144,26 3.819,27 4.025,28 3.031,29 2.922,30 5.069,31 2.912,32 3.684,33 3.85,34 2.963,35 2.741,36 5.15,37 2.791,38 3.465,39 3.623,40 2.753,41 2.712,42 4.792,43 2.712,44 3.345,45 3.511,46 2.548,47 2.755,48 4.474,49 2.675,50 3.372,51 3.608,52 2.374,53 2.693,54 4.322,55 2.561,56 0.046,57 0.364,58 4.187,59 2.139,60 3.988,61 2.429,62 0.25,63 0.532,64 7.209,65 3.228,66 17.91,67 3.871,68 0.252,69 0.594,70 10.8,71 4.003,72 22.96,73 4.83,74 0.162,75 0.498,76 9.77,77 3.415,78 16.212,79 4.269,80 0.319,81 0.41,82 8.833,83 2.611,84 37.575,85 2.595,86 0.18,87 0.34,88 6.533,89 2.296,90 23.38,91 2.419,92 0.104,93 0.327,94 5.176,95 2.292,96 13.691,97 2.748,98 0.069,99 0.343,100 5.929,101 2.478,102 7.834,103 3.473,104 2,105 21,106 0.317,107 0.545,108 0.709,109 0.843,110 0.863,111 0.863,112 2.85,113 0.844,114 -2.44,115 -2.47,116 -2.42,121 46.2,144 7,146 2,147 2,161 1,176 5,179 1,180 2,183 2,185 2,187 4,191 1,192 2,197 2,200 2,206 5,211 2,218 1,219 5,222 1,224 1,232 2,239 2,244 2,251 4,256 2,264 3,269 1,277 1,281 270,282 10.983,283 10.983,284 10.983,285 10.983,286 10.983,287 9.326,288 9.915,289 6.985,290 11.219,291 8.449,292 8.449,293 8.449,294 8.449,295 8.449,296 6.112,297 13.583,298 3.398,299 8.821,300 3.086,301 1.93,302 1.093,303 0.414,304 0.308,305 0.308,306 3.509,311 1,312 1,313 263,314 2.449,318 110.329,325 1.234,326 13.735,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 35,338 125,339 4.017,340 3.677,341 5.574,342 3.635,343 2.694,344 3.515,345 2.186,346 7.657,347 2.536,348 3.873,349 2.689,350 5.33,351 3.431,352 2.473,353 3.43,354 0.366,355 6.953,356 2.356,357 3.449,358 2.516,359 4.656,360 2.98,361 2,362 2.698,364 5.078,365 1.939,366 2.897,367 1.588,368 3.618,369 2.426,370 1.463,371 2.063,373 3.098,374 1.408,375 2.809,376 1.519,377 3.515,378 2.306,379 1.33,380 1.921,382 2.888,383 1.289,384 2.5,385 1,386 3.247,387 2,388 1,389 1.5,391 2.136,392 1,393 2.5,394 1,395 3.247,396 1.956,397 1,398 1.5,400 2.136,401 0.953,402 1.216,403 0.735,404 2.798,405 0.909,411 1.151,412 0.314,413 2.158,414 0.665,415 -0.33,416 -0.449,418 -0.746,419 -0.321,420 0.533,421 -0.421,422 1.555,423 0.03,424 -1,425 -1.312,427 -2.207,428 -0.93,429 0.5,430 -0.82,431 1.555,433 -1,434 -1.5,436 -2.343,437 -0.976,438 0.5,439 -1,440 1.382,441 -0.023,442 -1,443 -1.5,445 -2.347,446 -1,447 0.373,448 -1,449 1.2,450 -0.062,451 -1,452 -1.534,454 -2.347,455 -1.03,456 -0.46,457 -1.322,458 0.897,459 -0.758,460 -1.694,461 -2.15,463 -4.67,464 -1.555,465 -0.5,466 -1.555,467 0.872,468 -1,469 -1.935,470 -2.181,472 -4.789,473 -1.732,474 7.467,475 0.467,476 0.243,477 0.015,478 24.75,479 1.547,480 14.5,481 0.906,482 10.25,483 0.641,484 6.998,485 0.437,486 16.533,487 0.636,488 14.632,489 0.914,490 5.229,491 0.327,492 2.614,493 0.163,494 0.045,496 0.201,501 0.792,502 1.236,503 0.695,504 1.031,505 0.604,506 0.871,507 0.55,508 1.157,509 0.891,510 1.127,511 0.509,512 1.091,513 1.159,514 1.05,515 1.076,516 1.04,517 0.95,518 1.042,519 1.184,520 1.178,521 0.883,522 1.119,523 1.023,524 0.964,525 2.182,526 0.651,527 1.174,528 0.669,529 2.51,530 0.705,531 1.814,532 0.82,533 1.158,534 0.774,535 2.072,536 0.82,537 0.924,538 0.991,539 1.211,540 1.03,541 1.119,542 1.163,543 0.285,544 1.047,545 0.999,546 1.116,547 0.256,548 1.187,549 2.5,551 0.667,552 0.75,553 0.462,554 0.236,555 0.201,556 0.007,557 0.032,558 0.023,559 2157,560 6578,561 2.066,562 38.5,564 7,566 2,567 1,572 1.545,573 2,574 3.01,575 -0.229,579 1,582 41.973,583 1.614,584 2.77,585 3.608,586 4.287,587 4.393,588 4.393,589 2.453,590 2.625,591 3.976,592 3.099,593 371.898,594 6.664,595 3298.79,597 1,600 122.211,601 1.014,602 3.962,603 0.147,605 0.032,606 0.042,607 0.031,608 0.017,609 0.017,610 0.001,611 0.004,612 0.006,613 0.295,614 0.83,615 1,616 0.5,617 65.731,618 -0.07,619 -0.159,620 0.033,621 -0.081,622 -0.083,623 -0.014,624 0.37,625 -0.107,626 -0.078,627 -0.193,628 0.179,629 -0.229,630 -0.089,631 -0.092,632 -0.105,633 -0.091,634 -0.106,635 -0.101,636 -0.063,637 -0.249,638 0.157,639 -0.176,640 0.109,641 0.005,642 -0.295,643 0.309,644 -0.075,645 0.229,646 -0.22,647 0.141,648 -0.393,649 0.128,650 -0.17,651 0.175,652 -0.312,653 0.076,654 -0.207,655 -0.023,656 -0.358,657 -0.039,658 -0.258,659 -0.201,660 0.055,661 -0.094,662 -0.076,663 -0.116,664 0.033,665 -0.122,666 2.195,667 4.421,668 0.75,669 9.344,670 1.015,671 1.118,672 1.211,673 1.466,674 0.691,675 2.89,676 3.091,677 3.219,678 3.401,679 3.497,680 3.219,681 3.219,682 3.219,683 3.045,684 3.045,685 4.753,686 0.676,687 214.24,688 2.89,689 4.344,690 5.118,691 5.927,692 6.713,693 7.527,694 8.317,695 9.132,696 9.923,697 10.739,698 7.7,705 1,708 1,715 9,716 1,720 2,722 12,737 1,741 26,743 13,744 1,745 17,747 27,748 12,749 11,750 1,751 5,756 2,757 2,772 12,777 1,782 1,786 1,790 1,793 10,794 4,795 1,796 4,802 2,808 1,809 2,822 1,829 2,859 2,868 16,877 1,878 1,893 7.7,896 1,898 1,901 8,902 4.533,903 3.667,904 1.383,907 2.07,908 1.365,909 0.962,910 3.388,911 7.747,912 3.219,913 3.714,914 4.135,915 4.637,916 5.068,917 4.702,918 4.888,919 5.154,920 5.03,921 5.433,922 1,923 18,924 5.84,926 2.351,927 0.026,929 7.938,931 10.81,933 8.108,936 2.438,937 39,938 0.002,941 105.94,942 99.191,943 34.796,945 36.145,948 99.191,949 142.085,950 34.796,952 18.011,953 66.334,954 65.473,955 37.095,956 6.763,957 82.398,959 105.94,960 133.988,961 36.145,964 105.94,965 36.145,968 36.106,969 81.096,970 16.786,972 105.94,973 70.941,974 99.191,977 105.94,978 14.763,979 84.429,980 18.011,981 52.93,982 105.94,983 70.941,984 99.191,986 0.55,987 0.297,988 0.164,989 0.086,990 9,991 3,992 0.111,993 3,995 1,996 2.997,997 97.432,999 12,1000 60,1005 10.49,1006 5.167,1007 3.259,1009 70.941,1010 15.557,1011 3.84,1015 1.104,1017 18.011,1018 276.072,1019 24,1024 11.421,1028 -0.529,1031 26.393,1032 29.076,1034 0.343,1035 0.589,1036 0.768,1037 0.912,1038 0.935,1039 0.935,1040 4.357,1042 5.017,1043 2.136,1044 3.761,1045 4.394,1046 2.255,1047 5.645,1048 3.675,1049 5.503,1050 -0.33,1051 6.447,1053 2.944,1054 3.689,1055 1.784,1056 6.071,1057 2.796,1058 6.738,1059 -1,1060 7.969,1061 -0.746,1062 5.165,1063 6.416,1064 3.49,1065 9.143,1066 4.973,1067 8.002,1068 -1,1069 9.546,1070 -2.207,1071 5.142,1072 6.437,1073 3.59,1074 10.402,1075 4.86,1076 9.291,1077 -1,1078 11.159,1079 -2.343,1080 6.804,1081 8.658,1082 4.905,1083 12.907,1084 6.502,1085 10.599,1086 -1,1087 12.796,1088 -2.347,1089 7.204,1090 9.066,1091 5.289,1092 14.537,1093 6.799,1094 11.921,1095 -1.694,1096 14.45,1097 -2.347,1098 8.564,1099 11.002,1100 6.387,1101 16.793,1102 8.148,1103 2.694,1104 -1.935,1105 16.115,1106 -4.67,1107 9.206,1108 11.649,1109 6.93,1110 18.608,1111 8.682,1112 2.473,1113 7.657,1114 17.789,1115 -4.789,1116 10.396,1117 13.398,1118 7.902,1119 20.746,1120 9.86,1121 2,1122 6.953,1123 19.47,1124 3.515,1125 11.178,1126 14.207,1127 8.539,1128 22.656,1129 10.539,1130 1.463,1131 5.078,1132 21.155,1133 3.43,1134 12.273,1135 15.823,1136 9.436,1137 24.736,1138 11.614,1139 1.33,1140 3.098,1141 22.844,1142 2.698,1143 13.138,1144 16.747,1145 10.13,1146 26.696,1147 12.382,1148 1,1149 2.888,1150 24.535,1151 2.063,1152 14.18,1153 18.268,1154 10.981,1155 28.748,1156 13.396,1157 1,1158 2.136,1159 26.23,1160 1.921,1161 15.092,1162 19.276,1163 11.71,1164 30.736,1165 14.22,1166 2151,1167 3860,1168 11.614,1169 17.966,1170 24.327,1171 24.865,1172 24.441,1173 23.967,1174 23.917,1175 33.253,1176 5.105,1177 59.89,1178 22.961,1179 4.877,1180 5.677,1181 5.376,1182 4.7,1183 4.694,1184 6.515,1185 3.889,1186 13.365,1187 4.536,1188 4.376,1189 1.431,1190 1.463,1191 1.438,1192 1.41,1193 1.407,1194 1.956,1195 0.3,1196 3.523,1197 1.351,1198 3.919,1199 3.952,1200 3.859,1201 3.829,1202 7.435,1203 3.827,1204 3.837,1205 3.873,1206 3.775,1207 3.722,1208 4.948,1209 3.732,1210 3.374,1211 3.393,1212 3.331,1213 3.062,1214 4.767,1215 3.126,1216 2.881,1217 2.93,1218 2.771,1219 2.735,1220 4.285,1221 2.733,1222 2.854,1223 2.925,1224 2.687,1225 2.733,1226 3.862,1227 2.715,1228 2.761,1229 2.839,1230 2.627,1231 2.562,1232 3.78,1233 2.576,1234 2.671,1235 2.72,1236 2.565,1237 2.466,1238 3.674,1239 2.482,1240 2.032,1241 2.165,1242 1.744,1243 1.535,1244 3.257,1245 1.567,1246 0.236,1247 0.216,1248 0.328,1249 0.214,1250 0.158,1251 4.017,1252 0.207,1253 3.677,1254 0.129,1255 5.574,1256 0.45,1257 3.635,1258 0.149,1259 2.694,1260 3.515,1261 2.186,1262 7.657,1263 2.536,1264 1.887,1265 1.856,1266 2.01,1267 2,1268 1.06,1269 2.001,1270 1.799,1271 1.766,1272 1.914,1273 1.94,1274 0.913,1275 1.936,1276 1.193,1277 1.169,1278 1.326,1279 1.529,1280 0.281,1281 1.464,1282 0.886,1283 0.821,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.861,1289 0.812,1290 1.111,1291 1.06,1292 0.165,1293 1.075,1294 0.716,1295 0.657,1296 0.975,1297 0.974,1299 0.982,1300 0.621,1301 0.561,1302 0.886,1303 0.861,1305 0.874,1308 0.382,1309 0.437,1311 0.436,1312 3.555,1314 4.779,1316 6.196,1318 7.692,1320 9.222,1329 2.601,1330 5.006,1340 17.58,1341 41.973,1342 72.031,1343 93.805,1344 111.457,1345 114.211,1346 114.211,1347 17.529,1348 5.677,1349 51.22,1350 51.22,1351 12,1352 11.328,1353 3.807,1354 3,1355 26.108,1356 45,1357 36,1358 0.283,1359 112.181,1360 190.74,1361 265.482,1362 1771,1364 11.217,1365 0.701,1366 0.529,1367 11.217,1368 8.46,1369 7.843,1370 0.461,1371 0.281,1372 4.708,1373 7.514,1374 4.631,1375 3.888,1376 7.843,1377 4.783,1378 6.585,1379 0.314,1380 0.146,1381 6.585,1382 3.069,1383 4.921,1384 0.205,1385 0.078,1386 4.921,1387 1.865,1388 4.08,1389 0.141,1390 0.041,1391 4.08,1392 1.179,1393 3.043,1394 0.095,1395 0.022,1396 3.043,1397 0.697,1398 0.443,1399 49.362,1400 0.293,1401 16.574,1402 0.771,1403 76,1404 271.449,1405 86.195,1406 259.574,1407 347.56,1408 242,1409 83,1410 251.275,1411 91.701,1412 251.93,1413 359.36,1414 236,1415 4.523}
{0 CHEMBL1173603,1 1.567,2 7.941,3 2.122,4 4.502,5 64.081,6 7.643,7 0.667,8 3.502,9 3.614,10 3.088,11 3.01,12 4.687,13 3.01,14 3.955,15 4.112,16 3.375,17 3.32,18 5.202,19 3.296,20 4.135,21 4.323,22 3.281,23 3.373,24 5.221,25 3.307,26 4.091,27 4.323,28 3.165,29 3.16,30 5.227,31 3.108,32 3.931,33 4.12,34 3.047,35 2.944,36 5.236,37 2.951,38 3.688,39 3.87,40 2.916,41 2.874,42 4.976,43 2.864,44 3.62,45 3.801,46 2.674,47 2.909,48 4.766,49 2.83,50 3.6,51 3.848,52 2.566,53 2.91,54 4.447,55 2.769,56 0.029,57 0.426,58 5.748,59 2.534,60 4.309,61 3.196,62 0.281,63 0.632,64 10.344,65 3.826,66 21.253,67 5.078,68 0.216,69 0.701,70 13.274,71 4.92,72 20.232,73 6.415,74 0.149,75 0.628,76 13.712,77 4.633,78 21.535,79 6.31,80 0.364,81 0.498,82 12.203,83 3.433,84 38.092,85 3.978,86 0.168,87 0.422,88 8.861,89 2.887,90 24.552,91 3.546,92 0.179,93 0.42,94 7.968,95 2.761,96 26.751,97 3.447,98 0.065,99 0.425,100 7.883,101 3.22,102 8.134,103 4.642,104 5,105 23,106 0.299,107 0.586,108 0.724,109 0.837,110 0.854,111 0.854,112 2.906,113 0.891,114 -2.71,115 -2.73,116 -2.65,121 43.3,126 1,144 7,146 2,147 2,161 1,176 5,179 1,180 1,183 2,185 2,187 4,189 1,192 1,194 1,197 2,200 2,203 1,206 5,211 2,219 5,221 1,224 1,226 1,232 2,239 2,251 4,253 2,264 3,266 2,277 1,279 1,281 314,282 11.43,283 11.43,284 11.43,285 11.43,286 11.43,287 9.749,288 13.077,289 7.105,290 11.708,291 8.933,292 8.933,293 8.933,294 8.933,295 8.933,296 6.522,297 17.788,298 3.448,299 9.372,300 3.34,301 1.831,302 1.105,303 0.517,304 0.425,305 0.425,306 3.563,311 1,312 1,313 282,314 2.55,318 118.334,325 1.253,326 12.637,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 37,338 135,339 4.085,340 3.677,341 5.624,342 3.67,343 2.735,344 3.665,345 2.186,346 7.809,347 2.554,348 3.934,349 2.784,350 5.409,351 3.51,352 2.551,353 3.47,354 0.366,355 7.179,356 2.439,357 3.543,358 2.533,359 4.902,360 3.101,361 2.158,362 2.807,364 5.731,365 2.022,366 3.179,367 2.174,368 4.512,369 2.734,370 1.778,371 2.394,373 4.674,374 1.682,375 2.848,376 1.519,377 3.571,378 2.378,379 1.387,380 1.981,382 2.991,383 1.369,384 2.657,385 1.251,386 3.476,387 2.161,388 1.178,389 1.726,391 2.582,392 1.155,393 2.5,394 1,395 3.247,396 2,397 1,398 1.5,400 2.136,401 1,402 1.22,403 0.742,404 2.861,405 0.91,411 1.155,412 0.316,413 2.246,414 0.678,415 -0.316,416 -0.427,418 -0.723,419 -0.308,420 0.886,421 -0.245,422 2,423 0.515,424 -0.444,425 -0.555,427 -1.042,428 -0.422,429 0.53,430 -0.442,431 1.67,432 0.026,433 -1,434 -1.323,436 -2.25,437 -0.931,438 0.5,439 -0.826,440 1.555,442 -1,443 -1.5,445 -2.347,446 -1,447 0.386,448 -1,449 1.283,450 -0.061,451 -1,452 -1.532,454 -2.641,455 -1.026,456 -0.089,457 -1.193,458 1.119,459 -0.447,460 -1.378,461 -1.828,463 -3.407,464 -1.283,465 -0.472,466 -1.41,467 1,468 -0.771,469 -1.709,470 -2.161,472 -4.694,473 -1.579,474 7.967,475 0.469,476 0.349,477 0.021,478 24.5,479 1.441,480 13.5,481 0.794,482 11,483 0.647,484 8.615,485 0.507,486 18.133,487 0.604,488 15.505,489 0.912,490 5.213,491 0.307,492 3.024,493 0.178,494 0.105,496 0.238,501 0.817,502 1.397,503 0.759,504 1.126,505 0.612,506 0.956,507 0.646,508 1.024,509 0.875,510 0.958,511 0.442,512 0.945,513 1.089,514 1.141,515 1.105,516 1.147,517 0.939,518 1.136,519 1.076,520 1.148,521 0.85,522 1.112,523 0.883,524 0.964,525 2.306,526 0.666,527 1.227,528 0.694,529 2.431,530 0.766,531 1.753,532 0.949,533 1.035,534 0.843,535 2.069,536 0.817,537 1.584,538 0.869,539 1.435,540 0.882,541 2.187,542 1.089,543 0.26,544 0.994,545 0.905,546 1.043,547 0.162,548 1.08,549 3.5,550 0.012,551 0.889,552 1.063,553 0.573,554 0.347,555 0.201,556 0.069,557 0.082,558 0.041,559 2490,560 6637,561 2.028,562 43.3,564 10,566 2,567 1,572 1.565,573 1.925,574 3.03,575 -0.256,577 1,578 1,579 1,582 46.995,583 1.567,584 3.076,585 3.802,586 4.39,587 4.482,588 4.482,589 2.469,590 3.735,591 4.064,592 3.148,593 428.18,594 6.844,595 3983.44,597 1,599 1,600 147.207,601 1.261,602 4.03,603 0.194,604 0.006,605 0.039,606 0.053,607 0.034,608 0.023,609 0.014,610 0.006,611 0.008,612 0.007,613 0.385,614 0.83,615 1,616 0.604,617 71.564,618 -0.051,619 -0.251,620 0.046,621 -0.124,622 -0.082,623 -0.038,624 0.325,625 0.085,626 0.016,627 -0.004,628 0.234,629 -0.039,630 -0.064,631 -0.152,632 -0.166,633 -0.178,634 -0.126,635 -0.192,636 0.002,637 -0.235,638 0.169,639 -0.164,640 0.156,641 0.006,642 -0.298,643 0.258,644 -0.114,645 0.196,646 -0.269,647 0.088,648 -0.281,649 0.012,650 -0.019,651 0.099,652 -0.142,653 0.091,654 -0.437,655 0.16,656 -0.5,657 0.072,658 -0.53,659 -0.177,660 0.054,661 -0.025,662 -0.013,663 -0.027,664 0.065,665 -0.031,666 2.164,667 4.551,668 0.706,669 10.443,670 1.007,671 1.123,672 1.483,673 2.198,674 0.67,675 2.944,676 3.178,677 3.296,678 3.497,679 3.584,680 3.401,681 3.296,682 3.367,683 3.178,684 3.219,685 4.93,686 0.646,687 229.28,688 2.944,689 4.419,690 5.198,691 6.023,692 6.815,693 7.643,694 8.438,695 9.268,696 10.064,697 10.895,698 6.7,705 1,708 1,715 9,720 2,721 1,722 12,737 1,741 30,743 13,744 1,745 18,747 31,748 13,749 11,750 1,751 5,756 2,757 2,772 12,773 1,777 1,782 1,786 1,790 1,793 13,794 3,795 1,796 4,802 2,803 1,808 1,809 2,822 1,829 2,859 2,864 1,868 17,877 1,878 1,893 6.7,896 1,898 1,901 8.833,902 5.583,903 3.833,904 1.667,907 2.086,908 1.359,909 0.959,910 3.726,911 7.897,912 3.258,913 3.784,914 4.205,915 4.721,916 5.143,917 4.921,918 4.941,919 5.273,920 5.124,921 5.558,922 1,923 20,924 6.223,926 2.498,927 0.026,929 7.853,931 11.647,933 8.792,936 2.353,937 40,938 0.001,941 141.253,942 107.588,943 19.91,945 36.145,948 107.588,949 177.398,950 19.91,951 8.396,952 18.011,953 66.334,954 50.586,955 37.095,956 6.763,957 117.711,959 141.253,960 127.497,961 36.145,964 141.253,965 36.145,968 36.106,969 89.493,970 1.899,972 141.253,973 56.055,974 107.588,977 141.253,978 14.763,979 94.724,980 18.011,981 36.145,982 141.253,983 56.055,984 107.588,986 0.561,987 0.299,988 0.163,989 0.084,990 10,991 4,992 0.097,993 3,995 1,996 3.048,997 107.305,999 12,1000 59.487,1005 11.61,1006 5.456,1007 3.571,1009 54.156,1010 16.296,1015 1.209,1016 1.811,1017 18.011,1018 304.896,1019 25,1024 11.551,1028 -0.498,1031 30.218,1032 33.699,1034 0.319,1035 0.627,1036 0.775,1037 0.895,1038 0.913,1039 0.913,1040 4.419,1042 5.13,1043 2.136,1044 3.85,1045 4.466,1046 2.255,1047 5.79,1048 3.754,1049 5.589,1050 -0.316,1051 6.586,1053 3.219,1054 3.98,1055 1.784,1056 6.293,1057 3.033,1058 6.845,1059 -0.444,1060 8.131,1061 -0.723,1062 5.293,1063 6.527,1064 3.49,1065 9.334,1066 5.08,1067 8.127,1068 -1,1069 9.724,1070 -1.042,1071 5.398,1072 6.738,1073 3.59,1074 10.602,1075 5.074,1076 9.433,1077 -1,1078 11.348,1079 -2.25,1080 6.961,1081 8.808,1082 4.905,1083 13.119,1084 6.628,1085 10.756,1086 -1,1087 12.992,1088 -2.347,1089 7.452,1090 9.39,1091 5.289,1092 14.747,1093 7.003,1094 12.092,1095 -1.378,1096 14.65,1097 -2.641,1098 8.751,1099 11.201,1100 6.387,1101 17.027,1102 8.295,1103 2.735,1104 -1.709,1105 16.319,1106 -3.407,1107 9.458,1108 12.009,1109 6.93,1110 18.843,1111 8.889,1112 2.551,1113 7.809,1114 17.996,1115 -4.694,1116 10.614,1117 13.655,1118 7.902,1119 21.005,1120 10.03,1121 2.158,1122 7.179,1123 19.679,1124 3.665,1125 11.443,1126 14.611,1127 8.539,1128 22.923,1129 10.754,1130 1.778,1131 5.731,1132 21.366,1133 3.47,1134 12.522,1135 16.146,1136 9.436,1137 25.025,1138 11.807,1139 1.387,1140 4.674,1141 23.058,1142 2.807,1143 13.422,1144 17.203,1145 10.13,1146 26.998,1147 12.609,1148 1.178,1149 2.991,1150 24.753,1151 2.394,1152 14.459,1153 18.662,1154 10.981,1155 29.07,1156 13.61,1157 1,1158 2.582,1159 26.451,1160 1.981,1161 15.399,1162 19.789,1163 11.71,1164 31.073,1165 14.46,1166 2500,1167 4187,1168 12.019,1169 20.108,1170 26.046,1171 26.672,1172 26.313,1173 25.652,1174 25.574,1175 35.086,1176 5.105,1177 66.203,1178 24.438,1179 4.946,1180 5.677,1181 5.426,1182 4.74,1183 4.735,1184 6.665,1185 3.889,1186 13.593,1187 4.554,1188 6.73,1189 1.447,1190 1.482,1191 1.462,1192 1.425,1193 1.421,1194 1.949,1195 0.284,1196 3.678,1197 1.358,1198 3.959,1199 4.002,1200 3.9,1201 3.835,1202 7.435,1203 3.839,1204 3.884,1205 3.923,1206 3.814,1207 3.78,1208 4.866,1209 3.788,1210 3.402,1211 3.423,1212 3.356,1213 3.084,1214 4.761,1215 3.147,1216 3.163,1217 3.25,1218 2.984,1219 2.955,1220 4.269,1221 2.95,1222 2.88,1223 2.93,1224 2.762,1225 2.735,1226 3.91,1227 2.732,1228 2.854,1229 2.925,1230 2.687,1231 2.733,1232 3.826,1233 2.715,1234 2.708,1235 2.751,1236 2.593,1237 2.53,1238 3.674,1239 2.545,1240 2.497,1241 2.612,1242 2.204,1243 2.252,1244 3.301,1245 2.226,1246 0.227,1247 0.204,1248 0.312,1249 0.204,1250 0.152,1251 4.085,1252 0.204,1253 3.677,1254 0.121,1255 5.624,1256 0.434,1257 3.67,1258 0.142,1259 2.735,1260 3.665,1261 2.186,1262 7.809,1263 2.554,1264 1.892,1265 1.86,1266 2.014,1267 2.059,1268 1.067,1269 2.045,1270 1.868,1271 1.828,1272 1.997,1273 1.983,1274 1.057,1275 1.992,1276 1.236,1277 1.197,1278 1.537,1279 1.565,1280 0.587,1281 1.52,1282 1.147,1283 1.07,1284 1.324,1285 1.401,1286 0.28,1287 1.418,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.86,1295 0.812,1296 1.106,1297 1.06,1298 0.164,1299 1.073,1300 0.663,1301 0.626,1302 0.927,1303 0.899,1305 0.915,1306 0.509,1307 0.4,1308 0.876,1309 0.8,1311 0.835,1312 3.611,1314 4.86,1316 6.293,1318 7.807,1320 9.356,1322 1.863,1329 2.639,1330 5.128,1340 19.37,1341 46.995,1342 92.271,1343 114.045,1344 131.697,1345 134.452,1346 134.452,1347 19.667,1348 5.811,1349 42.21,1350 42.21,1351 12,1352 11.475,1353 3.807,1354 3,1355 28.57,1356 50,1357 41,1358 0.281,1359 123.237,1360 209.36,1361 292.458,1362 2098,1364 12.088,1365 0.711,1366 0.56,1367 12.088,1368 9.513,1369 8.237,1370 0.458,1371 0.297,1372 5.25,1373 7.872,1374 5.123,1375 4.33,1376 8.237,1377 5.344,1378 7.218,1379 0.314,1380 0.161,1381 7.218,1382 3.697,1383 5.241,1384 0.202,1385 0.085,1386 5.241,1387 2.22,1388 4.431,1389 0.138,1390 0.045,1391 4.431,1392 1.451,1393 3.173,1394 0.091,1395 0.024,1396 3.173,1397 0.849,1398 0.44,1399 51.922,1400 0.288,1401 17.471,1402 0.765,1403 82,1404 262.137,1405 92.555,1406 251.256,1407 338.73,1408 234,1409 90,1410 249.134,1411 99.534,1412 250.142,1413 357.19,1414 234,1415 4.523}
{0 CHEMBL1173604,1 1.474,2 7.857,3 0.996,4 0.991,5 81.195,6 6.454,7 0.261,8 3.895,9 4.036,10 3.351,11 3.332,12 4.868,13 3.304,14 4.513,15 4.733,16 3.805,17 3.814,18 5.44,19 3.773,20 4.789,21 4.978,22 3.911,23 4.096,24 5.67,25 4.002,26 5.079,27 5.357,28 3.807,29 4.172,30 5.865,31 4.025,32 4.951,33 5.211,34 3.556,35 4.055,36 5.773,37 3.855,38 4.91,39 5.25,40 3.271,41 3.758,42 5.586,43 3.534,44 4.365,45 4.638,46 3.121,47 3.306,48 5.273,49 3.174,50 4.104,51 4.343,52 2.91,53 3.002,54 5.203,55 2.941,56 0.031,57 0.662,58 11.185,59 3.883,60 8.213,61 5.921,62 0.45,63 1.094,64 21.613,65 6.542,66 31.387,67 10.198,68 0.16,69 1.435,70 27.61,71 10.042,72 25.108,73 14.875,74 0.456,75 1.617,76 37.57,77 11.788,78 46.312,79 18.344,80 0.245,81 1.409,82 32.348,83 11.863,84 38.216,85 17.669,86 0.418,87 1.091,88 31.673,89 9.907,90 43.457,91 15.359,92 0.265,93 0.693,94 18.608,95 5.504,96 26.922,97 8.402,98 0.394,99 0.527,100 15.09,101 3.244,102 35.442,103 5.15,104 40,105 37,106 0.26,107 0.577,108 0.786,109 0.828,110 0.828,111 0.828,112 3.105,113 0.987,114 -0.07,115 -0.22,116 -0.4,121 35.6,122 1,123 1,125 1,126 4,127 1,130 1,144 3,145 1,146 2,161 1,176 5,179 1,180 5,182 1,183 2,187 6,189 2,192 6,200 5,203 2,206 3,211 2,214 3,216 2,218 1,219 4,224 2,227 2,229 1,232 1,234 1,237 1,243 1,244 2,247 1,249 2,258 1,263 1,281 496,282 13.444,283 13.444,284 13.444,285 13.444,286 13.444,287 12.628,288 22.015,289 7.331,290 13.854,291 11.223,292 11.223,293 11.223,294 11.223,295 11.223,296 9.833,297 29.826,298 3.367,299 11.853,300 4.018,301 2.221,302 1.034,303 0.795,304 0.795,305 0.795,306 3.769,311 1,312 1,313 349,314 3.674,317 70.322,318 41.942,320 57.057,321 62.509,324 86.926,325 1.224,326 15.534,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 45.5,338 165,339 4.909,340 4.11,341 8.167,342 4.804,343 3.842,344 4.228,345 2.186,346 15.951,347 3.712,348 4.191,349 3.66,350 7.028,351 3.974,352 3.039,353 3.47,354 1.25,355 11.413,356 2.83,357 3.833,358 3.361,359 6.179,360 3.555,361 2.607,362 3.04,363 0.8,364 8.753,365 2.471,366 3.631,367 2.747,368 5.634,369 3.391,370 2.454,371 2.764,372 0.366,373 7.43,374 2.276,375 3.393,376 2.604,377 5.365,378 3.026,379 2.062,380 2.577,382 6.053,383 1.967,384 2.822,385 1.887,386 4.739,387 2.56,388 1.606,389 1.874,391 5.009,392 1.524,393 2.519,394 1.186,395 4.344,396 2.136,397 1.143,398 1.525,400 3.089,401 1.134,402 1.819,403 1.106,404 3.781,405 1.737,406 0.768,407 0.8,409 1.929,410 0.742,411 1.509,412 0.924,413 3.156,414 1.308,415 0.395,416 0.419,418 0.611,419 0.356,420 1.24,421 0.668,422 3,423 0.876,424 -0.088,425 -0.099,427 -0.214,428 -0.083,429 0.858,430 0.1,431 2.951,432 0.718,433 -0.23,434 -0.261,436 -0.589,437 -0.216,438 0.681,439 -0.17,440 2.784,441 0.309,442 -0.677,443 -0.833,445 -1.881,446 -0.661,447 0.53,448 -0.587,449 2.359,450 0.083,451 -0.908,452 -1,454 -2.685,455 -0.893,457 -0.6,458 2.283,459 -0.041,460 -1,461 -1,463 -3,464 -0.9,466 -0.815,467 2.167,468 -0.1,469 -1,470 -1.234,472 -3.083,473 -0.953,474 9.867,475 0.47,476 0.879,477 0.042,478 23,479 1.095,480 8.5,481 0.405,482 14.5,483 0.69,484 20.403,485 0.972,486 24.633,487 0.547,488 16.807,489 0.8,490 4.447,491 0.212,492 5.346,493 0.255,494 0.287,495 0.091,496 0.294,501 0.855,502 1.766,503 0.912,504 1.382,505 0.641,506 1.179,507 0.823,508 0.703,509 0.793,510 0.616,511 0.361,512 0.66,513 0.898,514 1.496,515 1.115,516 1.399,517 0.654,518 1.308,519 1.02,520 0.856,521 1.044,522 0.896,523 0.751,524 0.952,525 0.593,526 1.315,527 1.144,528 1.448,529 0.735,530 1.394,531 0.761,532 0.69,533 0.696,534 0.731,535 0.669,536 0.718,537 1.154,538 1.094,539 0.922,540 1.085,541 1.119,542 1.001,543 2.631,544 0.784,545 1.417,546 0.725,547 3.255,548 0.887,549 7,551 4,552 3.771,553 1.531,554 0.757,555 0.568,556 0.328,557 0.217,558 0.065,559 3582,560 7771,561 1.968,562 53.3,563 3,564 17,565 1,567 1,569 2,572 1.636,573 1.75,574 2.91,575 -0.291,577 1,579 1,582 66.339,583 1.474,584 3.271,585 4.458,586 4.697,587 4.697,588 4.697,589 2.453,590 4.202,591 4.359,592 3.056,593 641.72,594 7.495,595 6423.33,597 1,600 247.133,601 1.884,602 4.251,603 0.304,605 0.108,606 0.097,607 0.045,608 0.033,609 0.032,610 0.022,611 0.018,612 0.009,613 0.668,614 0.83,615 1,616 1.353,617 91.968,618 -0.002,619 -0.408,620 0.086,621 -0.175,622 -0.052,623 -0.054,624 0.222,625 0.513,626 0.234,627 0.407,628 0.264,629 0.344,630 -0.073,631 -0.306,632 -0.149,633 -0.245,634 -0.005,635 -0.217,636 -0.14,637 0.146,638 -0.075,639 0.078,640 -0.004,641 0.026,642 0.044,643 -0.317,644 -0.226,645 -0.383,646 -0.045,647 -0.351,648 0.099,649 0.068,650 0.245,651 0.165,652 0.022,653 0.217,654 0.11,655 -0.209,656 0.085,657 -0.147,658 0.053,659 -0.057,660 -0.335,661 0.153,662 -0.254,663 0.092,664 -0.386,665 -0.059,666 2.092,667 4.41,668 0.571,669 14.671,670 0.994,671 1.139,672 -1.16,673 1.345,674 0.62,675 3.178,676 3.638,677 3.97,678 4.344,679 4.554,680 4.654,681 4.86,682 4.92,683 4.828,684 4.754,685 4.659,686 0.578,687 290.43,688 3.178,689 4.796,690 5.7,691 6.668,692 7.602,693 8.578,694 9.528,695 10.507,696 11.465,697 12.446,698 6.7,704 1,705 1,712 1,715 3,720 3,722 6,736 1,737 1,741 45,743 7,744 1,745 23,747 47,748 16,749 6,750 3,751 3,756 3,757 6,763 1,764 1,766 1,767 1,770 1,772 7,773 9,777 1,782 1,786 1,789 1,790 1,793 24,794 4,795 1,796 5,802 3,803 1,807 1,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,859 1,864 5,868 21,876 2,877 1,878 1,880 1,881 1,882 1,883 1,893 4.4,896 1,898 1,901 12,902 9.617,903 4.417,904 2.74,907 1.318,908 1.188,909 0.908,910 3.225,911 8.338,912 3.332,913 3.922,914 4.422,915 4.972,916 5.46,917 5.727,918 6.105,919 6.356,920 6.401,921 6.363,922 1,923 39,924 7.783,926 3.321,927 0.026,929 7.631,931 15.217,933 13.034,936 2.131,937 44.75,938 0.001,941 270.735,942 93.428,943 21.135,945 36.145,948 93.428,949 306.88,950 21.135,951 42.411,952 22.651,953 28.429,954 25.145,955 25.31,956 18.534,957 258.964,959 270.735,960 114.563,961 36.145,964 247.193,965 59.687,968 31.476,969 83.087,972 270.735,973 57.28,974 93.428,977 270.735,978 22.588,979 73.964,980 18.011,981 36.145,982 270.735,983 57.28,984 93.428,986 0.615,987 0.371,988 0.2,989 0.108,990 21,991 10,992 0.043,993 2,994 2,995 1.333,996 3.074,997 175.487,998 0.333,999 12,1000 90.239,1005 14.668,1006 4.617,1007 2.04,1009 57.28,1010 5.971,1015 3.151,1017 18.011,1018 421.443,1019 27,1024 11.41,1028 -0.425,1031 44.738,1032 51.273,1034 0.268,1035 0.596,1036 0.812,1037 0.855,1038 0.855,1039 0.855,1040 4.687,1041 0.768,1042 5.82,1043 3.089,1044 4.317,1045 4.605,1046 2.544,1047 6.849,1048 4.217,1049 5.951,1050 0.395,1051 7.533,1052 1.929,1053 4.443,1054 4.732,1055 2.064,1056 8.453,1057 4.292,1058 7.338,1059 -0.088,1060 9.366,1061 0.611,1062 6.213,1063 6.755,1064 3.583,1065 11.603,1066 6.022,1067 8.758,1068 -0.23,1069 11.271,1070 -0.214,1071 7.091,1072 7.584,1073 3.674,1074 13.985,1075 6.862,1076 10.211,1077 -0.677,1078 13.223,1079 -0.589,1080 8.502,1081 9.23,1082 4.936,1083 16.829,1084 8.241,1085 11.688,1086 -0.908,1087 15.208,1088 -1.881,1089 9.665,1090 10.361,1091 5.313,1092 19.469,1093 9.374,1094 13.185,1095 -1,1096 17.218,1097 -2.685,1098 10.995,1099 11.88,1100 6.397,1101 22.247,1102 10.676,1103 3.842,1104 -1,1105 19.245,1106 -3,1107 12.265,1108 13.157,1109 6.937,1110 24.971,1111 11.916,1112 3.039,1113 15.951,1114 21.287,1115 -3.083,1116 13.587,1117 14.627,1118 7.905,1119 27.737,1120 13.21,1121 2.607,1122 11.413,1123 23.339,1124 4.228,1125 14.897,1126 15.979,1127 8.542,1128 30.489,1129 14.49,1130 2.454,1131 8.753,1132 25.401,1133 3.47,1134 16.225,1135 17.43,1136 9.437,1137 33.254,1138 15.789,1139 2.062,1140 7.43,1141 27.469,1142 3.04,1143 17.553,1144 18.822,1145 10.131,1146 36.016,1147 17.086,1148 1.606,1149 6.053,1150 29.543,1151 2.764,1152 18.887,1153 20.265,1154 10.982,1155 38.783,1156 18.389,1157 1.143,1158 5.009,1159 31.621,1160 2.577,1161 20.223,1162 21.678,1163 11.711,1164 41.549,1165 19.694,1166 3672,1167 5518,1168 14.216,1169 27.921,1170 36.251,1171 37.202,1172 38.996,1173 35.843,1174 35.832,1175 41.392,1176 9.205,1177 120.475,1178 34.027,1179 5.873,1180 6.11,1181 7.718,1182 5.869,1183 5.842,1184 7.228,1185 3.889,1186 24.922,1187 5.712,1188 13.252,1189 1.576,1190 1.617,1191 1.695,1192 1.558,1193 1.558,1194 1.8,1195 0.4,1196 5.238,1197 1.479,1198 4.123,1199 4.169,1200 4.064,1201 4.012,1202 7.435,1203 4.019,1204 3.775,1205 3.821,1206 3.694,1207 3.62,1208 4.835,1209 3.629,1210 3.536,1211 3.598,1212 3.448,1213 3.227,1214 4.477,1215 3.269,1216 3.347,1217 3.431,1218 3.169,1219 3.157,1220 4.25,1221 3.15,1222 3.291,1223 3.387,1224 3.116,1225 3.059,1226 4.079,1227 3.059,1228 2.994,1229 3.107,1230 2.77,1231 2.791,1232 3.934,1233 2.757,1234 2.969,1235 3.014,1236 2.709,1237 2.697,1238 3.823,1239 2.7,1240 2.874,1241 3.009,1242 2.583,1243 2.618,1244 3.497,1245 2.599,1246 0.213,1247 0.179,1248 0.355,1249 0.209,1250 0.167,1251 4.909,1252 0.184,1253 4.11,1254 0.095,1255 8.167,1256 0.694,1257 4.804,1258 0.161,1259 3.842,1260 4.228,1261 2.186,1262 15.951,1263 3.712,1264 1.903,1265 1.884,1266 2.007,1267 2.015,1268 1.311,1269 2.01,1270 1.727,1271 1.647,1272 1.941,1273 1.968,1274 1.259,1275 1.967,1276 1.609,1277 1.551,1278 1.828,1279 1.785,1280 1.027,1281 1.803,1282 1.403,1283 1.332,1284 1.69,1285 1.731,1286 0.684,1287 1.717,1288 1.239,1289 1.143,1290 1.587,1291 1.504,1292 0.66,1293 1.536,1294 1.034,1295 0.925,1296 1.461,1297 1.302,1298 0.596,1299 1.363,1300 0.934,1301 0.833,1302 1.417,1303 1.239,1304 0.469,1305 1.308,1306 0.878,1307 0.804,1308 1.162,1309 1.209,1310 0.333,1311 1.176,1312 3.85,1314 5.273,1315 3.045,1316 6.891,1317 5.687,1318 8.604,1319 8.009,1320 10.377,1322 10.647,1328 2.302,1329 2.484,1330 5.296,1332 0.433,1333 2.381,1334 0.107,1335 0.993,1340 26.025,1341 66.339,1342 147.185,1343 200.604,1344 211.359,1345 211.359,1346 211.359,1347 32.662,1348 7.02,1349 41.57,1350 41.57,1351 16,1352 12.92,1353 3,1354 2.322,1355 32.076,1356 58,1357 70,1358 0.291,1359 160.197,1360 278.72,1361 382.641,1362 8369,1364 15.414,1365 0.734,1366 0.642,1367 15.414,1368 13.487,1369 9.793,1370 0.426,1371 0.329,1372 7.411,1373 9.291,1374 7.046,1375 5.931,1376 9.793,1377 7.564,1378 10.03,1379 0.271,1380 0.196,1381 10.03,1382 7.238,1383 8.354,1384 0.161,1385 0.104,1386 8.354,1387 5.398,1388 7.389,1389 0.097,1390 0.06,1391 7.389,1392 4.592,1393 5.763,1394 0.061,1395 0.033,1396 5.763,1397 3.127,1398 0.433,1399 62.151,1400 0.265,1401 20.071,1402 0.875,1403 120,1404 289.782,1405 133.053,1406 276.533,1407 383.55,1408 258,1409 149,1410 294.106,1411 163.308,1412 298.439,1413 441.76,1414 277,1415 7.583}
{0 CHEMBL1173605,1 1.446,2 10.346,3 2.572,4 6.616,5 100.973,6 6.779,7 0.414,8 4.044,9 4.174,10 3.547,11 3.548,12 5.049,13 3.519,14 4.634,15 4.83,16 3.985,17 4.012,18 5.603,19 3.967,20 4.935,21 5.125,22 4.064,23 4.254,24 5.825,25 4.16,26 5.179,27 5.456,28 3.986,29 4.291,30 5.997,31 4.153,32 5.071,33 5.32,34 3.782,35 4.159,36 5.992,37 3.995,38 4.993,39 5.312,40 3.561,41 3.901,42 5.779,43 3.731,44 4.484,45 4.712,46 3.472,47 3.618,48 5.483,49 3.524,50 4.382,51 4.597,52 3.372,53 3.517,54 5.46,55 3.446,56 0.037,57 0.767,58 12.108,59 4.744,60 9.081,61 6.719,62 0.424,63 1.293,64 23.3,65 7.921,66 32.688,67 11.623,68 0.192,69 1.688,70 30.946,71 11.642,72 27.943,73 16.681,74 0.395,75 1.928,76 41.526,77 13.814,78 46.915,79 20.775,80 0.346,81 1.647,82 37.031,83 13.511,84 55.055,85 19.231,86 0.485,87 1.346,88 35.949,89 11.853,90 55.875,91 17.291,92 0.286,93 0.925,94 20.74,95 7.164,96 31.819,97 9.978,98 0.397,99 0.845,100 19.156,101 5.707,102 40.194,103 7.951,104 26,105 45,106 0.243,107 0.565,108 0.749,109 0.814,110 0.831,111 0.831,112 3.305,113 0.954,114 -1.25,115 -1.34,116 -1.41,121 40.4,122 1,123 1,125 1,126 3,127 1,130 1,144 8,145 1,146 3,161 1,176 9,179 1,180 5,182 1,183 2,185 2,187 10,189 2,192 6,197 2,200 7,203 2,206 7,211 3,214 3,216 2,218 1,219 8,224 2,227 2,229 1,232 3,234 1,237 1,239 4,243 1,244 2,247 1,249 2,251 8,258 1,263 1,264 8,269 2,277 8,281 886,282 17.004,283 17.004,284 17.004,285 17.004,286 17.004,287 15.437,288 25.177,289 9.633,290 17.39,291 14.295,292 14.295,293 14.295,294 14.295,295 14.295,296 11.911,297 37.326,298 4.582,299 14.944,300 4.254,301 2.336,302 1.241,303 0.856,304 0.75,305 0.75,306 3.993,310 1,311 1,312 1,313 590,314 3.742,317 97.999,318 140.369,320 79.298,321 84.708,324 118.496,325 1.55,326 18.233,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 55.5,338 269,339 4.909,340 4.11,341 8.167,342 4.804,343 3.842,344 4.228,345 2.186,346 15.951,347 3.712,348 4.192,349 3.677,350 7.028,351 3.974,352 3.039,353 3.499,354 1.25,355 11.413,356 2.83,357 3.976,358 3.361,359 6.179,360 3.626,361 2.679,362 3.446,363 0.8,364 8.754,365 2.534,366 3.778,367 2.749,368 5.648,369 3.5,370 2.532,371 3.02,372 0.366,373 7.667,374 2.446,375 3.607,376 2.636,377 5.507,378 3.317,379 2.377,380 2.757,382 7.054,383 2.219,384 3.357,385 2.507,386 5.261,387 2.948,388 1.971,389 2.56,391 5.93,392 1.904,393 2.865,394 1.887,395 4.636,396 2.564,397 1.607,398 1.994,400 4.862,401 1.53,402 2.806,403 1.519,404 4.343,405 2.371,406 1.379,407 1.864,409 3.089,410 1.363,411 2.519,412 1.186,413 3.782,414 2.135,415 1.142,416 1.523,418 2.991,419 1.133,420 2.5,421 1,422 3.57,423 2,424 1,425 1.5,427 2.136,428 1,429 1.817,430 0.938,431 3.247,432 1.735,433 0.763,434 0.797,436 1.926,437 0.739,438 1.267,439 0.751,440 3.156,441 0.984,442 0.068,443 0.077,445 0.189,446 0.062,447 1.17,448 0.352,449 3,450 0.79,451 -0.166,452 -0.175,454 -0.459,455 -0.156,456 0.858,457 0.095,458 2.957,459 0.698,460 -0.283,461 -0.359,463 -0.681,464 -0.274,465 0.684,466 -0.216,467 2.798,468 0.31,469 -0.676,470 -0.838,472 -1.881,473 -0.659,474 12.367,475 0.476,476 0.948,477 0.036,478 32.5,479 1.25,480 15,481 0.577,482 17.5,483 0.673,484 23.718,485 0.912,486 28.733,487 0.553,488 24.144,489 0.929,490 6.283,491 0.242,492 6.027,493 0.232,494 0.189,495 0.073,496 0.275,501 0.843,502 1.524,503 0.86,504 1.207,505 0.642,506 1.055,507 0.788,508 0.843,509 0.816,510 0.739,511 0.368,512 0.754,513 0.971,514 1.421,515 1.133,516 1.31,517 0.712,518 1.253,519 0.931,520 0.899,521 0.972,522 0.922,523 0.57,524 0.931,525 1.06,526 1.191,527 1.155,528 1.291,529 1.242,530 1.252,531 1.169,532 0.611,533 0.719,534 0.633,535 1.098,536 0.633,537 1.424,538 1.031,539 1,540 1.029,541 1.425,542 0.989,543 2.241,544 0.774,545 1.274,546 0.766,547 2.787,548 0.889,549 7.5,550 0.167,551 4,552 4.083,553 1.682,554 0.875,555 0.627,556 0.3,557 0.324,558 0.211,559 7914,560 16330,561 2.059,562 50,563 3,564 19,565 1,567 1,569 2,572 1.689,573 1.88,574 3.294,575 -0.37,576 1,577 1,582 75.218,583 1.446,584 3.364,585 4.459,586 4.844,587 4.95,588 4.95,589 2.724,590 4.104,591 4.671,592 3.478,593 1130.32,594 8.085,595 13776.9,597 1,599 1,600 296.423,601 1.767,602 4.594,603 0.259,604 0.009,605 0.089,606 0.089,607 0.041,608 0.029,609 0.024,610 0.013,611 0.015,612 0.01,613 0.577,614 0.67,615 1,616 0.638,617 126.25,618 0.003,619 -0.281,620 0.083,621 -0.107,622 -0.052,623 -0.02,624 0.252,625 0.338,626 0.173,627 0.26,628 0.265,629 0.22,630 -0.084,631 -0.315,632 -0.18,633 -0.265,634 -0.041,635 -0.242,636 -0.061,637 0.092,638 0.007,639 0.025,640 0.116,641 0.034,642 -0.007,643 -0.255,644 -0.176,645 -0.295,646 -0.052,647 -0.264,648 0.044,649 0.186,650 0.303,651 0.291,652 0.013,653 0.323,654 0.033,655 -0.077,656 0.025,657 -0.047,658 -0.019,659 -0.025,660 -0.269,661 0.241,662 -0.188,663 0.16,664 -0.37,665 0.013,666 2.133,667 5.21,668 0.692,669 22.237,670 0.993,671 1.129,672 0.024,673 0.001,674 0.648,675 3.401,676 3.829,677 4.143,678 4.511,679 4.71,680 4.779,681 4.977,682 5.056,683 5.043,684 5.1,685 6.099,686 0.607,687 352.5,688 3.401,689 5.004,690 5.894,691 6.843,692 7.759,693 8.718,694 9.651,695 10.615,696 11.56,697 12.529,698 5.8,704 1,705 1,712 1,715 8,720 4,722 12,736 1,737 1,741 52,743 13,744 2,745 29,747 55,748 21,749 12,750 4,751 8,756 4,757 7,763 1,764 1,766 1,767 1,770 1,772 13,773 8,777 1,782 1,786 1,789 1,790 1,793 26,794 4,795 1,796 5,802 3,803 1,807 1,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,859 2,864 4,868 26,876 2,877 1,878 1,880 1,881 1,882 1,883 1,893 3.8,896 1,898 1,901 13.833,902 10.533,903 5.417,904 3.164,907 2.111,908 1.276,909 0.945,910 4.01,911 9.762,912 3.611,913 4.205,914 4.71,915 5.273,916 5.75,917 5.903,918 6.268,919 6.55,920 6.672,921 6.866,922 0.857,923 46,924 9.641,926 4.165,927 0.026,929 7.593,931 18.82,933 16.172,936 2.093,937 54.417,940 1,941 294.278,942 135.17,943 21.135,945 36.145,948 135.17,949 330.422,950 21.135,951 34.014,952 22.651,953 75.81,954 25.145,955 28.067,956 18.534,957 282.506,959 294.278,960 156.305,961 36.145,964 270.735,965 59.687,968 31.476,969 124.828,972 294.278,973 57.28,974 135.17,977 294.278,978 25.345,979 112.949,980 18.011,981 36.145,982 294.278,983 57.28,984 135.17,986 0.607,987 0.357,988 0.203,989 0.107,990 25,991 11,992 0.055,993 3,994 2,995 1.222,996 3.685,997 232.506,998 0.222,999 18,1000 116.211,1005 17.379,1006 6,1007 2.812,1009 57.28,1010 15.332,1015 3.822,1017 18.011,1018 486.727,1019 36,1024 12.21,1028 -0.466,1031 51.621,1032 58.689,1034 0.254,1035 0.59,1036 0.782,1037 0.85,1038 0.868,1039 0.868,1040 4.927,1041 1.379,1042 5.979,1043 4.862,1044 4.511,1045 4.89,1046 2.544,1047 6.963,1048 4.424,1049 6.173,1050 1.142,1051 7.656,1052 3.089,1053 4.511,1054 4.844,1055 2.064,1056 8.487,1057 4.363,1058 7.532,1059 1,1060 9.458,1061 2.991,1062 6.34,1063 7.025,1064 3.583,1065 11.639,1066 6.164,1067 8.927,1068 0.763,1069 11.338,1070 2.136,1071 7.14,1072 7.7,1073 3.674,1074 13.997,1075 6.914,1076 10.358,1077 0.068,1078 13.272,1079 1.926,1080 8.573,1081 9.459,1082 4.936,1083 16.838,1084 8.321,1085 11.814,1086 -0.166,1087 15.244,1088 0.189,1089 9.697,1090 10.472,1091 5.313,1092 19.473,1093 9.407,1094 13.293,1095 -0.283,1096 17.243,1097 -0.459,1098 11.032,1099 12.058,1100 6.397,1101 22.249,1102 10.715,1103 3.842,1104 -0.676,1105 19.263,1106 -0.681,1107 12.284,1108 13.253,1109 6.937,1110 24.972,1111 11.936,1112 3.039,1113 15.951,1114 21.299,1115 -1.881,1116 13.605,1117 14.758,1118 7.905,1119 27.737,1120 13.228,1121 2.679,1122 11.413,1123 23.348,1124 4.228,1125 14.908,1126 16.057,1127 8.542,1128 30.489,1129 14.501,1130 2.532,1131 8.754,1132 25.407,1133 3.499,1134 16.234,1135 17.523,1136 9.437,1137 33.254,1138 15.798,1139 2.377,1140 7.667,1141 27.473,1142 3.446,1143 17.558,1144 18.881,1145 10.131,1146 36.016,1147 17.091,1148 1.971,1149 7.054,1150 29.546,1151 3.02,1152 18.891,1153 20.329,1154 10.982,1155 38.783,1156 18.394,1157 1.607,1158 5.93,1159 31.623,1160 2.757,1161 20.226,1162 21.722,1163 11.711,1164 41.549,1165 19.696,1166 7537,1167 11005,1168 18.781,1169 33.682,1170 45.392,1171 45.818,1172 46.565,1173 44.826,1174 44.801,1175 54.528,1176 9.205,1177 143.922,1178 42.945,1179 5.873,1180 6.11,1181 7.969,1182 5.893,1183 5.842,1184 7.228,1185 3.889,1186 24.922,1187 5.712,1188 14.031,1189 1.565,1190 1.58,1191 1.606,1192 1.546,1193 1.545,1194 1.88,1195 0.317,1196 4.963,1197 1.481,1198 4.125,1199 4.171,1200 4.066,1201 4.014,1202 7.435,1203 4.021,1204 3.901,1205 3.936,1206 3.834,1207 3.822,1208 4.846,1209 3.818,1210 3.767,1211 3.814,1212 3.683,1213 3.619,1214 4.756,1215 3.627,1216 3.428,1217 3.473,1218 3.362,1219 3.184,1220 4.47,1221 3.198,1222 3.33,1223 3.411,1224 3.156,1225 3.105,1226 4.188,1227 3.124,1228 3.255,1229 3.327,1230 3.1,1231 3.003,1232 3.94,1233 3.024,1234 2.994,1235 3.107,1236 2.717,1237 2.791,1238 3.93,1239 2.757,1240 2.874,1241 3.009,1242 2.703,1243 2.735,1244 3.772,1245 2.715,1246 0.169,1247 0.142,1248 0.282,1249 0.166,1250 0.132,1251 4.909,1252 0.146,1253 4.11,1254 0.075,1255 8.167,1256 0.55,1257 4.804,1258 0.128,1259 3.842,1260 4.228,1261 2.186,1262 15.951,1263 3.712,1264 1.907,1265 1.887,1266 2.015,1267 2.02,1268 1.311,1269 2.015,1270 1.881,1271 1.85,1272 2.001,1273 1.992,1274 1.259,1275 1.993,1276 1.727,1277 1.647,1278 1.941,1279 1.956,1280 1.061,1281 1.962,1282 1.608,1283 1.55,1284 1.827,1285 1.778,1286 1.026,1287 1.8,1288 1.271,1289 1.216,1290 1.59,1291 1.574,1292 0.663,1293 1.56,1294 1.157,1295 1.093,1296 1.461,1297 1.451,1298 0.596,1299 1.436,1300 1.034,1301 0.924,1302 1.417,1303 1.301,1304 0.469,1305 1.363,1306 0.934,1307 0.821,1308 1.317,1309 1.239,1310 0.333,1311 1.308,1312 4.078,1314 5.476,1315 3.045,1316 7.069,1317 5.687,1318 8.756,1319 8.009,1320 10.504,1322 9.093,1328 2.27,1329 2.761,1330 5.551,1332 0.408,1333 2.385,1334 0.072,1335 0.979,1340 31.552,1341 75.218,1342 174.936,1343 231.894,1344 251.894,1345 257.403,1346 257.403,1347 39.888,1348 7.652,1349 41.57,1350 41.57,1351 22,1352 13.011,1353 3.807,1354 3,1355 38.203,1356 97,1357 100,1358 0.2,1359 191.983,1360 334.04,1361 460.199,1362 21169,1364 18.527,1365 0.713,1366 0.611,1367 18.527,1368 15.874,1369 12.31,1370 0.424,1371 0.318,1372 9.08,1373 11.829,1374 8.721,1375 7.299,1376 12.31,1377 9.225,1378 12.361,1379 0.275,1380 0.188,1381 12.361,1382 8.479,1383 10.117,1384 0.163,1385 0.1,1386 10.117,1387 6.214,1388 9.311,1389 0.103,1390 0.058,1391 9.311,1392 5.206,1393 7.185,1394 0.065,1395 0.032,1396 7.185,1397 3.491,1398 0.312,1399 77.107,1400 0.231,1401 24.908,1402 0.555,1403 148,1404 349.782,1405 161.719,1406 339.959,1407 475.64,1408 318,1409 181,1410 366.951,1411 195.974,1412 373.632,1413 550.7,1414 349,1415 7.595}
{0 CHEMBL1173624,1 1.393,2 11.931,3 3.766,4 14.186,5 115.164,6 6.469,7 0.375,8 4.185,9 4.321,10 3.643,11 3.69,12 5.156,13 3.646,14 4.786,15 4.993,16 4.085,17 4.155,18 5.706,19 4.096,20 5.086,21 5.283,22 4.181,23 4.41,24 5.96,25 4.304,26 5.339,27 5.618,28 4.103,29 4.461,30 6.143,31 4.308,32 5.246,33 5.509,34 3.882,35 4.316,36 6.119,37 4.133,38 5.119,39 5.443,40 3.669,41 4.022,42 5.873,43 3.845,44 4.615,45 4.846,46 3.624,47 3.75,48 5.605,49 3.664,50 4.593,51 4.81,52 3.588,53 3.68,54 5.713,55 3.62,56 0.059,57 0.882,58 14.75,59 5.747,60 11.129,61 8.293,62 0.455,63 1.486,64 27.839,65 9.676,66 35.213,67 14.37,68 0.233,69 1.955,70 36.921,71 13.986,72 31.835,73 20.32,74 0.421,75 2.244,76 48.208,77 16.628,78 53.482,79 25.064,80 0.392,81 1.933,82 43.898,83 16.101,84 61.541,85 23.29,86 0.498,87 1.526,88 39.373,89 12.943,90 54.188,91 19.186,92 0.319,93 1.073,94 23.84,95 7.74,96 32.636,97 11.19,98 0.45,99 0.998,100 24.002,101 7.005,102 50.783,103 9.857,104 51,105 50,106 0.227,107 0.538,108 0.743,109 0.806,110 0.814,111 0.814,112 3.408,113 0.992,114 -1.9,115 -1.96,116 -1.96,121 39.3,122 3,123 1,124 1,125 1,126 3,127 1,130 1,144 7,145 2,146 3,161 1,176 12,179 1,180 5,182 1,183 2,185 2,187 15,189 2,192 6,197 2,200 13,203 2,206 7,211 3,214 7,216 2,218 1,219 8,224 3,227 2,229 1,232 3,234 1,237 3,239 4,243 1,244 4,247 1,249 2,251 8,256 4,258 1,263 1,264 8,269 2,277 10,281 1291,282 18.659,283 18.659,284 18.659,285 18.659,286 18.659,287 17.144,288 30.028,289 10.355,290 19.045,291 15.729,292 15.729,293 15.729,294 15.729,295 15.729,296 13.318,297 40.267,298 4.876,299 16.379,300 4.538,301 2.625,302 1.364,303 0.972,304 0.927,305 0.927,306 4.093,311 1,312 1,313 751,314 4.183,317 118.92,318 163.972,320 96.088,321 102.228,324 142.946,325 1.805,326 19.79,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 61.5,338 346,339 4.909,340 4.11,341 8.167,342 4.804,343 3.842,344 4.228,345 2.186,346 15.951,347 3.712,348 4.193,349 3.678,350 7.028,351 3.974,352 3.039,353 3.692,354 1.25,355 11.413,356 2.83,357 4.121,358 3.361,359 6.179,360 3.79,361 2.801,362 3.469,363 0.8,364 8.754,365 2.776,366 3.852,367 2.992,368 5.932,369 3.575,370 2.625,371 3.078,372 0.366,373 8.25,374 2.485,375 3.685,376 2.748,377 5.645,378 3.455,379 2.495,380 2.904,382 7.601,383 2.39,384 3.557,385 2.621,386 5.487,387 3.266,388 2.317,389 2.736,391 6.958,392 2.183,393 3.288,394 2.428,395 5.246,396 2.892,397 1.915,398 2.461,400 5.908,401 1.851,402 2.819,403 1.887,404 4.625,405 2.548,406 1.588,407 1.871,409 4.813,410 1.516,411 2.52,412 1.314,413 4.342,414 2.224,415 1.229,416 1.525,418 3.089,419 1.22,420 2.5,421 1.186,422 3.785,423 2.135,424 1.142,425 1.5,427 2.909,428 1.133,429 2.451,430 1,431 3.765,432 2,433 1,434 1.439,436 2.275,437 1,438 1.817,439 0.939,440 3.414,441 1.735,442 0.764,443 0.797,445 1.927,446 0.739,447 1.291,448 0.755,449 3.157,450 1.022,451 0.101,452 0.115,454 0.279,455 0.092,456 1.219,457 0.402,458 3,459 0.84,460 -0.133,461 -0.147,463 -0.357,464 -0.127,465 0.858,466 0.097,467 2.991,468 0.716,469 -0.24,470 -0.286,472 -0.611,473 -0.229,474 13.867,475 0.478,476 1.143,477 0.039,478 34,479 1.172,480 15,481 0.517,482 19,483 0.655,484 29.89,485 1.031,486 32.633,487 0.535,488 26.197,489 0.903,490 6.239,491 0.215,492 7.375,493 0.254,494 0.24,495 0.065,496 0.317,501 0.845,502 1.522,503 0.919,504 1.24,505 0.686,506 1.105,507 0.772,508 0.846,509 0.809,510 0.755,511 0.36,512 0.765,513 0.959,514 1.407,515 1.136,516 1.304,517 0.719,518 1.249,519 0.915,520 0.949,521 0.995,522 0.973,523 0.598,524 0.976,525 1.011,526 1.198,527 1.119,528 1.264,529 1.213,530 1.22,531 1.216,532 0.661,533 0.719,534 0.642,535 1.124,536 0.637,537 1.583,538 1.045,539 1.037,540 1.024,541 1.481,542 0.98,543 2.659,544 0.824,545 1.223,546 0.806,547 3.217,548 0.862,549 9,550 0.192,551 4.889,552 4.396,553 1.953,554 1.111,555 0.709,556 0.418,557 0.373,558 0.282,559 10969,560 20461,561 2.013,562 52.5,563 10,564 18,565 1,567 1,569 2,572 1.715,573 1.813,574 3.481,575 -0.405,577 1,582 84.981,583 1.393,584 3.306,585 4.567,586 4.959,587 5.004,588 5.004,589 2.957,590 4.444,591 4.829,592 3.704,593 1503.81,594 8.385,595 20367.4,597 1,600 361.775,601 1.815,602 4.738,603 0.281,604 0.008,605 0.098,606 0.085,607 0.042,608 0.034,609 0.024,610 0.015,611 0.014,612 0.011,613 0.612,614 0.5,615 1,616 0.83,617 147.939,618 0.02,619 -0.25,620 0.079,621 -0.093,622 -0.066,623 -0.016,624 0.277,625 0.335,626 0.21,627 0.273,628 0.282,629 0.244,630 -0.067,631 -0.278,632 -0.152,633 -0.228,634 -0.031,635 -0.207,636 -0.051,637 0.056,638 -0.018,639 -0.009,640 0.096,641 -0.002,642 0.02,643 -0.256,644 -0.141,645 -0.268,646 -0.041,647 -0.23,648 0.051,649 0.158,650 0.282,651 0.259,652 0.009,653 0.289,654 0.037,655 -0.022,656 0.02,657 -0.058,658 -0.012,659 -0.027,660 -0.219,661 0.173,662 -0.084,663 0.116,664 -0.24,665 0.039,666 2.127,667 5.429,668 0.621,669 27.26,670 0.988,671 1.13,672 0.668,673 0.447,674 0.639,675 3.497,676 3.932,677 4.234,678 4.575,679 4.779,680 4.875,681 5.056,682 5.118,683 5.094,684 5.17,685 7.032,686 0.592,687 394.59,688 3.497,689 5.106,690 5.994,691 6.938,692 7.851,693 8.803,694 9.732,695 10.69,696 11.63,697 12.592,698 4.9,704 1,705 1,712 1,715 7,720 5,722 12,736 1,737 1,741 61,743 13,744 2,745 32,747 64,748 24,749 12,750 5,751 7,756 4,757 7,763 3,764 1,766 1,767 1,770 1,772 13,773 11,774 1,777 1,782 1,786 1,790 1,793 32,794 4,795 1,796 5,802 3,803 1,807 1,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,859 2,864 6,868 29,876 2,877 1,878 1,880 2,881 1,882 1,883 1,893 3.3,896 1,898 1,901 16,902 12.783,903 6.028,904 3.858,907 2.188,908 1.277,909 0.933,910 4.908,911 10.093,912 3.689,913 4.29,914 4.8,915 5.351,916 5.842,917 6.045,918 6.383,919 6.615,920 6.713,921 6.938,922 0.875,923 52,924 10.774,926 4.619,927 0.026,929 7.549,931 21.168,933 18.163,936 2.049,937 59.417,939 1,940 1,941 364.904,942 146.529,943 21.135,945 36.145,948 146.529,949 401.049,950 21.135,951 51.665,952 22.651,953 66.334,954 25.145,955 31.252,956 18.534,957 353.133,959 364.904,960 167.664,961 36.145,964 341.362,965 59.687,968 49.127,969 118.538,972 364.904,973 57.28,974 146.529,977 364.904,978 28.531,979 121.123,980 18.011,981 36.145,982 364.904,983 57.28,984 146.529,986 0.614,987 0.359,988 0.193,989 0.102,990 27,991 13,992 0.063,993 4,994 2,995 1.222,996 3.913,997 265.574,998 0.222,999 18,1000 132.881,1005 20.243,1006 7.032,1007 3.426,1009 57.28,1010 13.925,1015 5.086,1017 18.011,1018 568.713,1019 39,1024 12.429,1028 -0.46,1031 60.272,1032 68.934,1034 0.235,1035 0.557,1036 0.77,1037 0.836,1038 0.844,1039 0.844,1040 5.017,1041 1.588,1042 6.084,1043 5.908,1044 4.615,1045 4.977,1046 2.544,1047 7.059,1048 4.537,1049 6.268,1050 1.229,1051 7.76,1052 4.813,1053 4.635,1054 4.987,1055 2.064,1056 8.549,1057 4.506,1058 7.63,1059 1.142,1060 9.555,1061 3.089,1062 6.438,1063 7.122,1064 3.583,1065 11.687,1066 6.279,1067 9.025,1068 1,1069 11.424,1070 2.909,1071 7.231,1072 7.837,1073 3.674,1074 14.021,1075 7.027,1076 10.453,1077 0.764,1078 13.345,1079 2.275,1080 8.647,1081 9.562,1082 4.936,1083 16.854,1084 8.415,1085 11.905,1086 0.101,1087 15.303,1088 1.927,1089 9.757,1090 10.598,1091 5.313,1092 19.48,1093 9.487,1094 13.379,1095 -0.133,1096 17.291,1097 0.279,1098 11.08,1099 12.161,1100 6.397,1101 22.254,1102 10.78,1103 3.842,1104 -0.24,1105 19.301,1106 -0.357,1107 12.321,1108 13.366,1109 6.937,1110 24.974,1111 11.987,1112 3.039,1113 15.951,1114 21.328,1115 -0.611,1116 13.633,1117 14.856,1118 7.905,1119 27.738,1120 13.269,1121 2.801,1122 11.413,1123 23.37,1124 4.228,1125 14.929,1126 16.156,1127 8.542,1128 30.489,1129 14.533,1130 2.625,1131 8.754,1132 25.424,1133 3.692,1134 16.25,1135 17.611,1136 9.437,1137 33.254,1138 15.822,1139 2.495,1140 8.25,1141 27.486,1142 3.469,1143 17.57,1144 18.966,1145 10.131,1146 36.016,1147 17.11,1148 2.317,1149 7.601,1150 29.555,1151 3.078,1152 18.9,1153 20.406,1154 10.982,1155 38.783,1156 18.408,1157 1.915,1158 6.958,1159 31.63,1160 2.904,1161 20.233,1162 21.794,1163 11.711,1164 41.549,1165 19.707,1166 10544,1167 14594,1168 20.285,1169 38.966,1170 50.319,1171 50.895,1172 52.296,1173 49.737,1174 49.716,1175 59.63,1176 9.205,1177 160.252,1178 47.857,1179 5.873,1180 6.11,1181 7.581,1182 5.896,1183 5.842,1184 7.228,1185 3.889,1186 24.922,1187 5.712,1188 18.617,1189 1.572,1190 1.59,1191 1.634,1192 1.554,1193 1.554,1194 1.863,1195 0.288,1196 5.008,1197 1.496,1198 4.126,1199 4.172,1200 4.067,1201 4.016,1202 7.435,1203 4.023,1204 3.949,1205 3.983,1206 3.883,1207 3.881,1208 4.845,1209 3.877,1210 3.77,1211 3.816,1212 3.687,1213 3.62,1214 4.74,1215 3.628,1216 3.548,1217 3.611,1218 3.437,1219 3.389,1220 4.471,1221 3.38,1222 3.392,1223 3.455,1224 3.261,1225 3.181,1226 4.206,1227 3.183,1228 3.322,1229 3.405,1230 3.147,1231 3.092,1232 4.132,1233 3.107,1234 3.232,1235 3.288,1236 3.084,1237 2.959,1238 3.934,1239 2.993,1240 2.994,1241 3.107,1242 2.711,1243 2.791,1244 3.886,1245 2.757,1246 0.153,1247 0.128,1248 0.255,1249 0.15,1250 0.12,1251 4.909,1252 0.132,1253 4.11,1254 0.068,1255 8.167,1256 0.498,1257 4.804,1258 0.116,1259 3.842,1260 4.228,1261 2.186,1262 15.951,1263 3.712,1264 1.94,1265 1.911,1266 2.069,1267 2.037,1268 1.311,1269 2.046,1270 1.901,1271 1.881,1272 2.006,1273 2.01,1274 1.259,1275 2.007,1276 1.727,1277 1.647,1278 1.941,1279 1.964,1280 1.252,1281 1.965,1282 1.609,1283 1.551,1284 1.828,1285 1.781,1286 1.027,1287 1.801,1288 1.54,1289 1.476,1290 1.796,1291 1.733,1292 0.909,1293 1.755,1294 1.262,1295 1.195,1296 1.59,1297 1.546,1298 0.663,1299 1.552,1300 1.114,1301 1.063,1302 1.461,1303 1.425,1304 0.596,1305 1.397,1306 1.034,1307 0.924,1308 1.417,1309 1.301,1310 0.469,1311 1.362,1312 4.174,1314 5.58,1315 3.045,1316 7.171,1317 5.687,1318 8.853,1319 8.009,1320 10.592,1322 13.414,1328 2.267,1329 2.827,1330 5.628,1332 0.867,1333 2.391,1334 0.066,1335 0.977,1340 36.132,1341 84.981,1342 201.678,1343 278.575,1344 302.491,1345 305.246,1346 305.246,1347 49.884,1348 7.906,1349 41.57,1350 41.57,1351 22,1352 13.078,1353 3.807,1354 3,1355 45.071,1356 123,1357 129,1358 0.181,1359 220.76,1360 385.94,1361 530.415,1362 29894,1364 20.974,1365 0.723,1366 0.634,1367 20.974,1368 18.374,1369 13.615,1370 0.425,1371 0.331,1372 10.434,1373 13.133,1374 9.934,1375 8.368,1376 13.615,1377 10.579,1378 13.882,1379 0.278,1380 0.198,1381 13.882,1382 9.89,1383 11.227,1384 0.165,1385 0.103,1386 11.227,1387 7.017,1388 9.978,1389 0.104,1390 0.059,1391 9.978,1392 5.636,1393 7.662,1394 0.065,1395 0.032,1396 7.662,1397 3.747,1398 0.288,1399 84.934,1400 0.222,1401 27.582,1402 0.485,1403 164,1404 367.782,1405 177.719,1406 359.404,1407 504.49,1408 336,1409 200,1410 390.951,1411 214.974,1412 399.759,1413 588.78,1414 373,1415 6.839}
{0 CHEMBL1173662,1 1.32,2 18.027,3 7.374,4 54.374,5 152.698,6 6.451,7 0.537,8 4.405,9 4.541,10 3.852,11 3.974,12 5.351,13 3.914,14 4.98,15 5.177,16 4.167,17 4.388,18 5.833,19 4.289,20 5.301,21 5.562,22 4.269,23 4.529,24 6.109,25 4.4,26 5.315,27 5.58,28 4.182,29 4.49,30 6.143,31 4.349,32 5.294,33 5.564,34 4.046,35 4.467,36 6.044,37 4.302,38 5.288,39 5.567,40 3.906,41 4.443,42 5.958,43 4.243,44 5.285,45 5.588,46 3.779,47 4.371,48 5.902,49 4.15,50 5.177,51 5.486,52 3.671,53 4.255,54 5.785,55 4.036,56 0.096,57 1.097,58 18.242,59 7.585,60 12.194,61 10.767,62 0.187,63 1.832,64 32.767,65 12.976,66 21.032,67 18.874,68 0.351,69 2.326,70 45.795,71 17.07,72 42.389,73 25.328,74 0.468,75 2.33,76 47.004,77 16.522,78 53.412,79 24.643,80 0.409,81 2.248,82 45.751,83 16.717,84 43.522,85 24.683,86 0.309,87 2.181,88 44.952,89 17.611,90 35.08,91 25.758,92 0.311,93 2.105,94 44.841,95 17.389,96 34.6,97 25.633,98 0.285,99 1.875,100 40.284,101 15.588,102 31.014,103 22.971,104 2,105 54,106 0.202,107 0.503,108 0.683,109 0.816,110 0.874,111 0.897,112 3.641,113 1.04,114 -5.55,115 -5.43,116 -5.06,121 41.6,123 11,127 3,144 8,145 4,146 2,147 1,148 3,176 19,180 6,185 6,187 18,192 7,195 1,197 7,200 13,206 3,209 1,210 1,211 9,214 14,222 1,224 6,227 17,232 1,237 4,239 18,244 2,249 4,251 16,256 2,261 3,264 15,269 2,274 1,277 16,281 2764,282 25.985,283 25.985,284 25.985,285 25.985,286 25.985,287 23.358,288 20.585,289 16.169,290 26.247,291 20.325,292 20.325,293 20.325,294 20.325,295 20.325,296 16.346,297 22.988,298 7.759,299 20.769,300 4.946,301 2.983,302 1.811,303 0.945,304 0.565,305 0.416,306 4.357,312 1,313 1485,314 4.062,318 529.773,322 535.386,325 2.672,326 21.238,329 0.75,330 0.67,331 0.83,332 1,333 0.5,334 0.83,335 0.5,336 0.73,337 77,338 667,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.657,346 11.348,347 3.162,348 4.554,349 3.248,350 6.625,351 4.082,352 3.107,353 4.49,354 0.4,355 10.496,356 3.026,357 3.914,358 2.669,359 5.982,360 3.524,361 2.532,362 3.437,364 8.37,365 2.512,366 3.761,367 2.556,368 5.667,369 3.361,370 2.379,371 3.236,373 7.444,374 2.336,375 3.522,376 2.356,377 5.381,378 3.136,379 2.182,380 2.893,382 6.711,383 2.08,384 3.22,385 2.048,386 4.726,387 2.924,388 1.931,389 2.548,391 4.91,392 1.917,393 2.952,394 1.921,395 4.116,396 2.765,397 1.797,398 2.142,400 3.887,401 1.736,402 2.938,403 1.809,404 3.99,405 2.693,406 1.713,407 2.117,409 3.591,410 1.676,411 2.91,412 1.665,413 3.909,414 2.518,415 1.535,416 1.937,418 3.329,419 1.509,420 2.757,421 1.533,422 3.769,423 2.456,424 1.484,425 1.77,427 3.314,428 1.439,429 2.605,430 1.459,431 3.67,432 2.371,433 1.393,434 1.634,436 3.11,437 1.361,438 2.495,439 1.426,440 3.594,441 2.345,442 1.347,443 1.494,445 2.939,446 1.343,447 2.462,448 1.35,449 3.587,450 2.242,451 1.247,452 1.461,454 2.902,455 1.24,456 2.332,457 1.254,458 3.503,459 2.093,460 1.13,461 1.257,463 2.461,464 1.085,465 2.186,466 1.05,467 3.396,468 1.827,469 0.882,470 1.176,472 2.084,473 0.829,474 17.933,475 0.485,476 0.534,477 0.014,478 43.75,479 1.182,480 21,481 0.568,482 22.75,483 0.615,484 37.964,485 1.026,486 40.267,487 0.523,488 29.245,489 0.79,490 7.639,491 0.206,492 10.671,493 0.288,494 0.019,496 0.251,501 0.995,502 1.228,503 0.957,504 1.076,505 0.902,506 1.024,507 0.885,508 1.236,509 1.034,510 1.142,511 0.675,512 1.102,513 0.819,514 1.071,515 0.861,516 0.964,517 0.677,518 0.92,519 1.26,520 1.027,521 1.035,522 0.98,523 1.134,524 0.985,525 1.258,526 0.955,527 1.116,528 0.997,529 1.166,530 1.035,531 0.88,532 1.049,533 1.1,534 1.109,535 0.882,536 1.122,537 0.759,538 0.946,539 0.998,540 1.008,541 0.74,542 1.02,543 0.768,544 0.894,545 0.957,546 0.956,547 0.764,548 0.969,549 3.5,550 0.103,551 3.333,552 2.063,553 1.867,554 0.618,555 0.38,556 0.217,557 0.164,558 0.128,559 29891,560 59747,561 2.166,562 51.9,563 16,564 14,566 1,567 3,568 2,569 4,572 1.768,573 2.114,574 4.006,575 0.675,582 101.665,583 1.32,584 3.284,585 4.456,586 5.322,587 5.702,588 5.851,589 3.364,590 4.615,591 5.19,592 4.31,593 2870.33,594 9.05,595 55366.3,600 482.543,601 0.969,602 5.177,603 0.085,604 0.004,605 0.062,606 0.036,607 0.037,608 0.014,609 0.01,610 0.007,611 0.006,612 0.005,613 0.264,614 0.17,615 0.5,616 0.282,617 214.156,618 -0.041,619 -0.019,620 0.048,621 0.043,622 0.01,623 0.05,624 -0.027,625 -0.112,626 -0.043,627 -0.085,628 0.042,629 -0.068,630 0.135,631 -0.055,632 0.13,633 0.027,634 0.19,635 0.071,636 0.018,637 -0.001,638 -0.02,639 -0.019,640 0.063,641 -0.021,642 -0.122,643 0.053,644 -0.116,645 -0.026,646 -0.108,647 -0.062,648 -0.077,649 -0.088,650 -0.132,651 -0.113,652 -0.094,653 -0.126,654 -0.028,655 -0.025,656 -0.037,657 -0.032,658 -0.042,659 -0.034,660 -0.02,661 0.019,662 0.004,663 0.017,664 -0.035,665 0.013,666 1.364,667 4.465,668 0.649,669 45.819,670 0.982,671 1.126,672 4.322,673 18.68,674 0.652,675 3.738,676 4.007,677 4.304,678 4.575,679 4.828,680 4.86,681 4.956,682 5.024,683 5.063,684 4.875,685 10.988,686 0.601,687 496.76,688 3.738,689 5.252,690 6.098,691 6.959,692 7.827,693 8.702,694 9.58,695 10.463,696 11.348,697 12.236,698 5.2,700 1,703 1,708 2,714 4,715 9,716 2,720 5,722 22,734 1,738 1,741 77,743 22,744 2,745 41,747 81,748 32,749 18,750 6,751 6,756 5,757 9,767 4,770 11,772 18,773 14,793 40,794 5,795 3,796 5,802 4,808 0.4,809 1,822 2,829 5,833 3,853 1,859 2,868 37,875 1,876 14,877 2,893 1.3,895 1,901 17.5,902 13.35,903 8.361,904 5.35,907 4.408,908 1.523,909 0.99,910 9.132,911 12.829,912 3.97,913 4.554,914 5.193,915 5.815,916 6.419,917 6.71,918 7.067,919 7.39,920 7.68,921 7.366,922 1,923 58,924 13.766,926 5.779,927 0.026,929 7.419,931 27.594,933 23.275,936 1.919,937 71,941 435.531,942 140.373,943 69.593,945 42.683,948 140.373,949 478.214,950 69.593,952 34.197,953 93.821,954 106.036,955 30.366,957 423.76,959 435.531,960 209.966,961 42.683,964 388.446,965 89.768,968 68.3,969 90.084,970 51.582,972 435.531,973 112.276,974 140.373,977 435.531,978 55.516,979 84.857,980 36.022,981 76.254,982 435.531,983 112.276,984 140.373,986 0.559,987 0.331,988 0.189,989 0.106,990 24,991 9,992 0.16,993 13,994 3,995 1.25,996 5.136,997 330.353,998 0.25,999 24,1000 192.75,1005 25.791,1006 13.101,1007 6.539,1008 4.074,1009 112.276,1010 18.214,1011 9.259,1015 5.345,1017 78.705,1018 688.18,1019 52,1031 75.639,1032 86.676,1034 0.211,1035 0.524,1036 0.711,1037 0.849,1038 0.91,1039 0.934,1040 5.179,1041 1.713,1042 6.033,1043 3.887,1044 4.691,1045 5.242,1046 0.781,1047 6.819,1048 4.647,1049 6.348,1050 1.535,1051 7.564,1052 3.591,1053 4.007,1054 5.007,1056 7.7,1057 3.94,1058 7.641,1059 1.484,1060 9.21,1061 3.329,1062 6.232,1063 7.499,1064 0.354,1065 10.874,1066 6.147,1067 8.982,1068 1.393,1069 10.932,1070 3.314,1071 6.509,1072 8.221,1074 12.679,1075 6.396,1076 10.369,1077 1.347,1078 12.704,1079 3.11,1080 8.098,1081 10.129,1082 0.157,1083 15.344,1084 7.97,1085 11.787,1086 1.247,1087 14.511,1088 2.939,1089 8.85,1090 11.283,1092 17.498,1093 8.693,1094 13.23,1095 1.13,1096 16.341,1097 2.902,1098 10.173,1099 12.958,1100 0.069,1101 19.997,1102 10,1103 3.226,1104 0.882,1105 18.188,1106 2.461,1107 11.15,1108 14.308,1110 22.293,1111 10.949,1112 3.107,1113 11.348,1114 20.046,1115 2.084,1116 12.365,1117 15.886,1118 0.03,1119 24.734,1120 12.147,1121 2.532,1122 10.496,1123 21.914,1124 4.564,1125 13.443,1126 17.324,1128 27.092,1129 13.199,1130 2.379,1131 8.37,1132 23.789,1133 4.49,1134 14.618,1135 18.862,1136 0.013,1137 29.512,1138 14.354,1139 2.182,1140 7.444,1141 25.669,1142 3.437,1143 15.74,1144 20.34,1146 31.899,1147 15.451,1148 1.931,1149 6.711,1150 27.554,1151 3.236,1152 16.901,1153 21.862,1154 0.006,1155 34.312,1156 16.592,1157 1.797,1158 4.91,1159 29.442,1160 2.893,1161 18.042,1162 23.358,1164 36.713,1165 17.71,1166 27277,1167 38776,1168 28.602,1169 50.182,1170 59.145,1171 59.906,1172 60.553,1173 59.352,1174 59.356,1175 76.238,1176 2.115,1177 161.766,1178 57.984,1179 5.612,1180 5.361,1181 6.774,1182 5.247,1183 5.226,1184 7.564,1185 1.315,1186 18.879,1187 5.162,1188 8.653,1189 1.443,1190 1.461,1191 1.477,1192 1.448,1193 1.448,1194 1.859,1195 0.052,1196 3.946,1197 1.414,1198 4.122,1199 4.153,1200 4.081,1201 4.048,1202 6.469,1203 4.052,1204 4.064,1205 4.089,1206 4.029,1207 3.994,1208 4.977,1209 3.999,1210 3.8,1211 3.866,1212 3.643,1213 3.679,1214 4.93,1215 3.661,1216 3.732,1217 3.781,1218 3.615,1219 3.648,1220 4.414,1221 3.634,1222 3.661,1223 3.736,1224 3.516,1225 3.508,1226 4.398,1227 3.499,1228 3.539,1229 3.603,1230 3.412,1231 3.416,1232 4.267,1233 3.408,1234 3.405,1235 3.475,1236 3.253,1237 3.244,1238 4.201,1239 3.235,1240 3.262,1241 3.332,1242 3.113,1243 3.126,1244 4.065,1245 3.114,1246 0.113,1247 0.082,1248 0.167,1249 0.103,1250 0.079,1251 4.64,1252 0.111,1253 3.361,1254 0.016,1255 6.829,1256 0.277,1257 4.207,1258 0.077,1259 3.226,1260 4.564,1261 0.657,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.439,1269 2.163,1270 2.034,1271 2.014,1272 2.109,1273 2.125,1274 1.414,1275 2.121,1276 1.807,1277 1.745,1278 2.052,1279 1.967,1280 1.272,1281 2,1282 1.754,1283 1.709,1284 1.95,1285 1.873,1286 1.23,1287 1.902,1288 1.664,1289 1.595,1290 1.919,1291 1.856,1292 1.145,1293 1.88,1294 1.534,1295 1.482,1296 1.755,1297 1.718,1298 1.012,1299 1.736,1300 1.406,1301 1.335,1302 1.655,1303 1.593,1304 0.845,1305 1.617,1306 1.263,1307 1.202,1308 1.506,1309 1.453,1310 0.758,1311 1.476,1312 4.419,1314 5.7,1316 7.198,1318 8.811,1320 10.49,1327 10.465,1328 16.369,1329 7.274,1340 46.283,1341 101.665,1342 252.878,1343 343.119,1344 409.814,1345 439.033,1346 450.543,1347 60.875,1348 8.421,1349 70.07,1350 70.07,1351 30,1352 12.767,1353 4.524,1354 3.585,1355 57.703,1356 256,1357 197,1358 0.105,1359 282.658,1360 483.15,1361 681.445,1362 82848,1364 25.288,1365 0.683,1366 0.593,1367 25.288,1368 21.937,1369 18.31,1370 0.447,1371 0.347,1372 14.127,1373 17.975,1374 13.859,1375 11.524,1376 18.31,1377 14.217,1378 15.334,1379 0.284,1380 0.192,1381 15.334,1382 10.363,1383 13.299,1384 0.182,1385 0.105,1386 13.299,1387 7.648,1388 11.255,1389 0.117,1390 0.058,1391 11.255,1392 5.584,1393 9.426,1394 0.076,1395 0.033,1396 9.426,1397 4.106,1398 0.179,1399 112.252,1400 0.187,1401 35.422,1402 0.254,1403 190,1404 408.106,1405 198.987,1406 409.372,1407 580.59,1408 388,1409 222,1410 440.129,1411 232.208,1412 450.696,1413 663.76,1414 429,1415 8.26}
{0 CHEMBL117447,1 1.476,2 6.235,3 2.453,4 6.017,5 63.369,6 8.586,7 0.632,8 3.388,9 3.471,10 3.087,11 3.054,12 4.625,13 3.048,14 3.856,15 3.959,16 3.463,17 3.422,18 5.103,19 3.408,20 4.094,21 4.249,22 3.544,23 3.473,24 5.509,25 3.458,26 4.016,27 4.178,28 3.392,29 3.377,30 5.342,31 3.356,32 3.944,33 4.082,34 3.244,35 3.243,36 5.416,37 3.228,38 3.747,39 3.906,40 2.797,41 3.001,42 5.102,43 2.923,44 3.417,45 3.655,46 2.086,47 2.56,48 4.492,49 2.39,50 2.833,51 3.15,52 1.042,53 1.83,54 3.555,55 1.565,56 0.021,57 0.313,58 3.495,59 2.109,60 3.661,61 2.346,62 0.082,63 0.519,64 6.15,65 3.411,66 6.866,67 3.859,68 0.253,69 0.68,70 10.493,71 4.588,72 41.107,73 5.374,74 0.136,75 0.621,76 9.862,77 4.345,78 16.865,79 4.874,80 0.206,81 0.536,82 9.445,83 4.09,84 37.237,85 3.91,86 0.19,87 0.433,88 8.198,89 3.589,90 38.981,91 3.596,92 0.111,93 0.329,94 6.934,95 2.894,96 21.467,97 3.609,98 0.062,99 0.19,100 4.695,101 1.774,102 11.743,103 2.534,104 5,105 27,106 0.286,107 0.455,108 0.575,109 0.737,110 0.829,111 0.85,112 2.911,113 0.84,114 -3.96,115 -3.91,116 -3.71,121 53.8,144 9,145 1,146 2,159 1,160 1,176 8,179 1,180 5,187 8,191 2,192 6,200 4,206 8,214 4,219 7,227 8,232 3,239 8,244 1,251 4,264 1,281 290,282 11.673,283 11.673,284 11.673,285 11.673,286 11.673,287 10.061,288 11.785,289 6.921,290 11.724,291 9.363,292 9.363,293 9.363,294 9.363,295 9.363,296 6.908,297 17.697,298 3.26,299 9.432,300 3.224,301 2.348,302 1.727,303 0.889,304 0.414,305 0.308,306 3.586,311 1,312 1,313 230,314 1.732,317 29.372,318 80.435,321 56.658,325 0.865,326 19.456,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 36.5,338 106,339 4.629,340 3.996,341 7.086,342 4.338,343 3.356,344 4.171,345 1.2,346 12.188,347 3.298,348 3.921,349 3.069,350 6.016,351 3.532,352 2.545,353 3.461,354 0.293,355 8.376,356 2.503,357 3.593,358 2.822,359 5.543,360 3.159,361 2.131,362 2.947,364 6.62,365 2.178,366 3.223,367 2.357,368 4.906,369 2.829,370 1.837,371 2.43,373 5.136,374 1.815,375 2.845,376 1.715,377 3.731,378 2.363,379 1.355,380 1.97,382 2.993,383 1.363,384 2.767,385 1.36,386 3.641,387 2.298,388 1.303,389 1.878,391 2.932,392 1.295,393 2.5,394 1.295,395 3.456,396 2,397 1,398 1.5,400 2.136,401 1,402 2.375,403 1,404 3.247,405 1.825,406 0.794,407 1.175,409 1.945,410 0.812,411 1.615,412 0.703,413 2.885,414 1.095,415 0.02,416 0.03,418 0.047,419 0.021,420 0.847,421 -0.018,422 2.373,423 0.411,424 -0.593,425 -0.8,427 -1.401,428 -0.59,429 0.632,430 -0.551,431 2.106,432 0.157,433 -0.849,434 -1.207,436 -1.991,437 -0.851,438 0.5,439 -0.827,440 2,441 0.012,442 -1,443 -1.457,445 -2.347,446 -1,447 0.497,448 -1,449 1.555,451 -1,452 -1.5,454 -2.411,455 -1.006,456 0.135,457 -1.009,458 1.464,459 -0.273,460 -1.361,461 -2,463 -3.598,464 -1.486,465 -0.478,466 -1.426,467 1.273,468 -0.718,469 -1.719,470 -2.123,472 -4.789,473 -1.7,474 8.067,475 0.475,476 0.384,477 0.023,478 26.25,479 1.544,480 15.5,481 0.912,482 10.75,483 0.632,484 8.43,485 0.496,486 16.533,487 0.636,488 16.821,489 0.989,490 5.366,491 0.316,492 2.922,493 0.172,494 0.083,496 0.36,501 0.537,502 1.069,503 0.617,504 0.874,505 0.5,506 0.784,507 0.56,508 1.219,509 0.762,510 1.038,511 0.593,512 0.962,513 0.717,514 1.011,515 0.777,516 0.918,517 0.675,518 0.862,519 1.061,520 0.991,521 0.92,522 0.983,523 0.916,524 0.923,525 1.75,526 0.901,527 1.224,528 0.999,529 1.765,530 1.007,531 1.668,532 0.975,533 1.494,534 1.126,535 1.797,536 1.259,537 0.947,538 1.004,539 1.334,540 1.178,541 1.035,542 1.313,543 0.484,544 0.833,545 1.069,546 0.991,547 0.543,548 1.123,549 2,551 2,552 2.174,553 0.938,554 0.434,555 0.156,556 0.076,559 2148,560 6366,561 2.127,562 34.6,564 9,572 1.578,573 2,574 2.667,575 -0.807,579 1,582 38.379,583 1.476,584 2.352,585 2.974,586 3.811,587 4.287,588 4.393,589 2.095,590 3.735,591 4.061,592 2.714,593 369.09,594 6.905,595 3231.63,597 1,599 1,600 122.211,601 1.379,602 4.023,603 0.105,605 0.074,606 0.078,607 0.039,608 0.022,609 0.013,610 0.015,613 0.346,614 1,615 1,616 0.604,617 67.831,618 -0.012,619 -0.116,620 0.042,621 -0.023,622 -0.048,623 0.008,624 0.096,625 -0.234,626 -0.033,627 -0.181,628 -0.032,629 -0.152,630 0.243,631 0.015,632 0.156,633 0.006,634 0.213,635 0.055,636 -0.086,637 0.008,638 0.028,639 -0.044,640 0.027,641 0.012,642 -0.3,643 0.03,644 -0.236,645 -0.038,646 -0.2,647 -0.102,648 -0.337,649 -0.088,650 -0.467,651 -0.126,652 -0.33,653 -0.286,654 -0.089,655 -0.106,656 -0.176,657 -0.104,658 -0.125,659 -0.151,660 0.104,661 0.091,662 0.279,663 0.177,664 0.04,665 0.242,666 2.155,667 4.939,668 0.882,669 8.886,670 1.011,671 1.099,672 2.73,673 7.455,674 0.729,675 2.996,676 3.332,677 3.689,678 4.007,679 4.22,680 4.19,681 4.248,682 4.248,683 4.025,684 3.85,685 3.839,686 0.714,687 223.24,688 2.996,689 4.533,690 5.416,691 6.319,692 7.226,693 8.141,694 9.055,695 9.974,696 10.892,697 11.813,698 3.8,705 1,715 9,720 3,722 12,727 1,741 26,743 14,744 2,745 19,747 28,748 14,749 12,750 3,751 9,752 2,756 3,757 4,772 14,777 2,782 2,786 2,790 1,793 9,794 3,796 3,802 1,808 0.667,809 2,828 1,829 2,832 1,844 1,859 2,868 17,881 1,893 7.7,896 2,901 8.5,902 4.783,903 3.75,904 1.532,907 2.407,908 1.375,909 1.028,910 2.135,911 8.827,912 3.332,913 3.912,914 4.527,915 5.094,916 5.621,917 5.74,918 6.105,919 6.412,920 6.502,921 6.663,922 1,923 28,924 6.294,926 2.789,927 0.026,929 7.99,931 11.7,933 9.72,936 2.49,937 42.333,938 0.001,941 105.94,942 103.823,943 3.124,945 50.29,948 103.823,949 156.23,950 3.124,952 3.124,953 85.286,954 60.128,955 8.699,957 105.94,959 105.94,960 106.948,961 50.29,964 105.94,965 50.29,968 3.124,969 103.823,972 105.94,973 53.414,974 103.823,977 105.94,978 18.537,979 88.411,981 50.29,982 105.94,983 53.414,984 103.823,986 0.58,987 0.363,988 0.214,989 0.119,990 15,991 6,992 0.036,993 1,994 1,995 1.133,996 2.896,997 126.758,998 0.133,999 15,1000 65.487,1005 9.943,1006 3.651,1007 1.406,1009 53.414,1010 16.225,1015 1.853,1018 263.178,1019 27,1024 23.728,1028 -0.929,1031 26.291,1032 28.578,1034 0.314,1035 0.5,1036 0.633,1037 0.811,1038 0.912,1039 0.935,1040 4.554,1041 0.794,1042 5.407,1043 2.136,1044 4.007,1045 4.595,1046 1.356,1047 6.29,1048 3.993,1049 5.76,1050 0.02,1051 7.008,1052 1.945,1053 3.611,1054 4.27,1055 0.325,1056 7.353,1057 3.579,1058 7.069,1059 -0.593,1060 8.721,1061 0.047,1062 5.645,1063 6.748,1064 1.511,1065 10.554,1066 5.598,1067 8.419,1068 -0.849,1069 10.502,1070 -1.401,1071 6.155,1072 7.272,1073 0.653,1074 12.507,1075 6.084,1076 9.807,1077 -1,1078 12.327,1079 -1.991,1080 7.653,1081 9.195,1082 1.739,1083 15.23,1084 7.564,1085 11.224,1086 -1,1087 14.181,1088 -2.347,1089 8.571,1090 10.137,1091 1.001,1092 17.525,1093 8.459,1094 12.665,1095 -1.361,1096 16.057,1097 -2.411,1098 9.873,1099 11.81,1100 1.993,1101 20.097,1102 9.743,1103 3.356,1104 -1.719,1105 17.948,1106 -3.598,1107 10.966,1108 12.972,1109 1.37,1110 22.52,1111 10.813,1112 2.545,1113 12.188,1114 19.851,1115 -4.789,1116 12.2,1117 14.521,1118 2.264,1119 25.043,1120 12.03,1121 2.131,1122 8.376,1123 21.764,1124 4.171,1125 13.363,1126 15.802,1127 1.754,1128 27.515,1129 13.172,1130 1.837,1131 6.62,1132 23.684,1133 3.461,1134 14.577,1135 17.289,1136 2.551,1137 30.022,1138 14.368,1139 1.355,1140 5.136,1141 25.611,1142 2.947,1143 15.768,1144 18.635,1145 2.143,1146 32.511,1147 15.54,1148 1.303,1149 2.993,1150 27.544,1151 2.43,1152 16.977,1153 20.091,1154 2.851,1155 35.014,1156 16.731,1157 1,1158 2.932,1159 29.48,1160 1.97,1161 18.179,1162 21.472,1163 2.535,1164 37.51,1165 17.914,1166 2122,1167 3739,1168 12.83,1169 18.96,1170 29.357,1171 30.95,1172 29.863,1173 28.782,1174 28.682,1175 39.126,1176 2.986,1177 84.745,1178 28.567,1179 5.491,1180 5.996,1181 6.888,1182 5.338,1183 5.356,1184 7.171,1185 2.293,1186 19.691,1187 5.298,1188 6.313,1189 1.545,1190 1.629,1191 1.572,1192 1.515,1193 1.51,1194 2.059,1195 0.157,1196 4.46,1197 1.504,1198 4.044,1199 4.066,1200 4.012,1201 3.951,1202 7.497,1203 3.96,1204 3.822,1205 3.851,1206 3.751,1207 3.766,1208 7.352,1209 3.759,1210 3.425,1211 3.436,1212 3.374,1213 3.242,1214 4.792,1215 3.274,1216 2.976,1217 3.019,1218 2.899,1219 2.83,1220 4.66,1221 2.835,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.859,1227 2.715,1228 2.74,1229 2.802,1230 2.6,1231 2.624,1232 3.674,1233 2.609,1234 2.605,1235 2.613,1236 2.543,1237 2.417,1238 3.615,1239 2.443,1240 2.374,1241 2.375,1242 2.293,1243 1.966,1244 3.434,1245 2.058,1246 0.244,1247 0.21,1248 0.373,1249 0.228,1250 0.177,1251 4.629,1252 0.22,1253 3.996,1254 0.063,1255 7.086,1256 0.641,1257 4.338,1258 0.174,1259 3.356,1260 4.171,1261 1.2,1262 12.188,1263 3.298,1264 1.919,1265 1.891,1266 2.025,1267 2.011,1268 1.119,1269 2.016,1270 1.84,1271 1.816,1272 1.957,1273 1.921,1274 1.028,1275 1.933,1276 1.348,1277 1.348,1278 1.393,1279 1.594,1280 0.389,1281 1.528,1282 0.986,1283 0.946,1284 1.181,1285 1.167,1286 0.243,1287 1.159,1288 0.886,1289 0.821,1290 1.148,1291 1.062,1292 0.218,1293 1.107,1294 0.79,1295 0.732,1296 1.066,1297 0.979,1298 0.111,1299 1.014,1300 0.653,1301 0.61,1302 0.892,1303 0.846,1305 0.867,1308 0.381,1309 0.434,1311 0.368,1312 3.664,1314 4.99,1315 2.398,1316 6.541,1317 4.949,1318 8.187,1319 7.209,1320 9.884,1333 1.456,1340 18.558,1341 38.379,1342 61.153,1343 77.318,1344 99.092,1345 111.457,1346 114.211,1347 26.117,1348 6.42,1349 39.07,1350 39.07,1351 17,1352 12.322,1353 3.907,1354 3.17,1355 23.482,1356 38,1357 38,1358 0.318,1359 114.251,1360 199.34,1361 270.532,1362 4161,1364 11.828,1365 0.696,1366 0.527,1367 11.828,1368 8.96,1369 8.288,1370 0.436,1371 0.28,1372 5.267,1373 8.074,1374 5.171,1375 4.28,1376 8.288,1377 5.317,1378 7.306,1379 0.271,1380 0.142,1381 7.306,1382 3.822,1383 6.675,1384 0.171,1385 0.072,1386 6.675,1387 2.801,1388 5.747,1389 0.106,1390 0.037,1391 5.747,1392 2.02,1393 4.736,1394 0.071,1395 0.02,1396 4.736,1397 1.35,1398 0.46,1399 51.381,1400 0.279,1401 16.526,1402 1.001,1403 92,1404 285.116,1405 99.399,1406 277.226,1407 378.39,1408 258,1409 112,1410 278.498,1411 120.48,1412 282.126,1413 419.49,1414 267,1415 4}
{0 CHEMBL1179697,1 1.429,2 13.31,3 3.874,4 15.005,5 114.576,6 6.956,7 0.485,8 4.123,9 4.243,10 3.655,11 3.685,12 5.112,13 3.648,14 4.713,15 4.898,16 4.025,17 4.124,18 5.61,19 4.062,20 4.993,21 5.212,22 4.034,23 4.275,24 5.863,25 4.165,26 5.101,27 5.361,28 3.877,29 4.242,30 5.888,31 4.086,32 5.001,33 5.282,34 3.815,35 4.104,36 5.758,37 3.961,38 4.851,39 5.095,40 3.739,41 4.025,42 5.7,43 3.896,44 4.802,45 5.058,46 3.597,47 3.958,48 5.604,49 3.806,50 4.674,51 4.933,52 3.431,53 3.83,54 5.421,55 3.667,56 0.083,57 0.81,58 12.504,59 5.432,60 8.754,61 7.395,62 0.201,63 1.396,64 24.05,65 9.225,66 15.873,67 13.02,68 0.238,69 1.723,70 32.871,71 12.632,72 31.181,73 17.777,74 0.378,75 1.808,76 38.099,77 14.034,78 42,79 20.112,80 0.317,81 1.602,82 34.983,83 12.731,84 35.104,85 18.332,86 0.397,87 1.422,88 29.618,89 10.555,90 38.694,91 14.997,92 0.33,93 1.35,94 28.167,95 10.316,96 33.623,97 14.732,98 0.272,99 1.16,100 24.82,101 9.425,102 26.332,103 13.364,104 5,105 47,106 0.234,107 0.558,108 0.762,109 0.824,110 0.832,111 0.832,112 3.408,113 0.965,114 -4.56,115 -4.49,116 -4.22,121 42.9,123 5,124 1,126 1,127 3,144 7,145 3,146 1,148 1,154 1,160 1,168 1,176 13,179 1,180 11,187 15,192 10,200 10,205 1,206 10,214 6,218 1,219 8,227 11,231 1,232 3,239 12,243 2,244 3,251 12,255 1,256 3,264 7,269 6,277 4,281 1335,282 19.963,283 19.963,284 19.963,285 19.963,286 19.963,287 17.977,288 23.076,289 11.696,290 20.182,291 16.31,292 16.31,293 16.31,294 16.31,295 16.31,296 13.214,297 27.18,298 5.621,299 16.637,300 4.378,301 2.402,302 1.155,303 0.777,304 0.728,305 0.728,306 4.121,311 1,312 1,313 870,314 2.828,317 124.419,318 256.156,321 209.843,324 145.285,325 2.114,326 19.623,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 61.5,338 386,339 4.632,340 3.826,341 6.739,342 4.227,343 3.246,344 4.558,345 2.015,346 10.984,347 3.187,348 4.239,349 3.176,350 6.442,351 3.903,352 2.925,353 3.697,354 0.916,355 9.9,356 2.855,357 3.941,358 3.017,359 5.617,360 3.686,361 2.723,362 3.457,363 0.625,364 7.789,365 2.631,366 3.612,367 2.743,368 5.385,369 3.469,370 2.47,371 2.753,372 0.172,373 6.976,374 2.466,375 3.454,376 2.555,377 5.33,378 3.099,379 2.125,380 2.627,381 0.111,382 6.353,383 2.072,384 3.322,385 2.254,386 5.123,387 3,388 2.019,389 2.605,391 6.001,392 1.963,393 3.163,394 2.155,395 4.949,396 2.9,397 1.913,398 2.242,400 5.821,401 1.884,402 2.923,403 2.002,404 4.741,405 2.587,406 1.593,407 2.043,409 4.807,410 1.573,411 2.815,412 1.517,413 4.098,414 2.413,415 1.419,416 1.908,418 3.219,419 1.41,420 2.535,421 1.287,422 3.594,423 2.152,424 1.17,425 1.542,427 3.041,428 1.147,429 2.5,430 1.077,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.029,439 1.036,440 3.355,441 1.984,442 1,443 1,445 2.136,446 0.983,447 2,448 1,449 3.247,450 1.797,451 0.81,452 0.936,454 1.925,455 0.798,456 1.695,457 0.776,458 3.174,459 1.435,460 0.447,461 0.54,463 1.129,464 0.44,465 1.267,466 0.467,467 2.798,468 1.052,469 0.074,470 0.083,472 0.188,473 0.072,474 13.867,475 0.478,476 0.674,477 0.023,478 35,479 1.207,480 16,481 0.552,482 19,483 0.655,484 26.858,485 0.926,486 31.133,487 0.556,488 23.2,489 0.8,490 6.528,491 0.225,492 7.642,493 0.264,494 0.06,496 0.346,501 0.62,502 1.293,503 0.812,504 1.104,505 0.497,506 1.001,507 0.832,508 1.09,509 0.908,510 0.982,511 0.547,512 0.946,513 0.959,514 1.127,515 1.054,516 1.119,517 0.899,518 1.098,519 0.942,520 1.042,521 1.061,522 1.069,523 0.907,524 1.079,525 0.868,526 0.888,527 0.831,528 0.889,529 0.812,530 0.863,531 1.121,532 0.992,533 1.083,534 0.995,535 0.727,536 1.026,537 0.951,538 0.949,539 1.1,540 1.046,541 0.708,542 1.082,543 0.93,544 1.001,545 1.059,546 1.046,547 0.917,548 1.074,549 5.5,550 0.147,551 3.111,552 1.993,553 1.333,554 0.695,555 0.544,556 0.36,557 0.164,558 0.192,559 13243,560 29084,561 2.193,562 48.2,563 3,564 16,568 4,569 4,572 1.711,573 2.096,574 3.679,575 -0.819,577 1,582 80.036,583 1.429,584 3.406,585 4.653,586 5.03,587 5.08,588 5.08,589 3.142,590 4.444,591 4.829,592 3.866,593 1569.53,594 8.366,595 22203.1,597 1,599 1,600 325.212,601 1.247,602 4.809,603 0.167,604 0.007,605 0.066,606 0.044,607 0.037,608 0.02,609 0.017,610 0.013,611 0.007,612 0.009,613 0.387,614 0.33,615 0.88,616 0.434,617 150.505,618 0.151,619 -0.119,620 0.09,621 -0.029,622 0.074,623 0.01,624 0.021,625 0.035,626 0.035,627 0.027,628 0.053,629 0.035,630 -0.07,631 -0.098,632 -0.097,633 -0.116,634 0.005,635 -0.109,636 -0.018,637 -0.085,638 -0.08,639 -0.091,640 -0.025,641 -0.093,642 0.052,643 0.035,644 0.163,645 0.081,646 0.018,647 0.127,648 -0.001,649 -0.008,650 -0.087,651 -0.025,652 0.021,653 -0.058,654 -0.001,655 0.027,656 -0.118,657 -0.074,658 0.001,659 -0.104,660 -0.006,661 -0.068,662 -0.081,663 -0.053,664 -0.086,665 -0.078,666 1.524,667 4.966,668 0.828,669 31.971,670 0.992,671 1.123,672 3.333,673 11.108,674 0.662,675 3.526,676 3.871,677 4.174,678 4.454,679 4.682,680 4.771,681 4.977,682 5.147,683 5.13,684 5.204,685 7.751,686 0.622,687 389.54,688 3.526,689 5.081,690 5.948,691 6.834,692 7.716,693 8.609,694 9.499,695 10.396,696 11.292,697 12.192,698 5.4,701 1,705 1,708 1,714 2,715 7,716 1,718 1,720 4,722 16,741 56,743 17,744 2,745 33,747 60,748 24,749 13,750 5,751 7,756 5,757 8,767 3,768 1,770 5,772 14,773 10,774 1,777 1,782 1,786 1,790 1,793 27,794 5,796 5,801 1,802 3,808 0.6,809 2,828 2,829 3,832 2,835 1,844 1,855 1,859 3,864 1,868 29,876 8,880 1,881 2,893 3.6,896 1,898 1,901 13.833,902 10.35,903 6.222,904 3.649,907 3.065,908 1.372,909 1.011,910 5.047,911 11.305,912 3.761,913 4.353,914 4.937,915 5.531,916 6.052,917 6.376,918 6.836,919 7.227,920 7.245,921 7.406,922 0.889,923 45,924 10.78,926 4.673,927 0.026,929 7.517,931 21.381,933 18.528,936 2.017,937 58.5,939 1,940 1,941 317.82,942 117.718,943 25.845,945 34.879,948 117.718,949 352.699,950 25.845,951 8.396,952 22.114,953 66.334,954 49.446,955 27.316,956 4.836,957 317.82,959 317.82,960 143.564,961 34.879,964 270.735,965 81.963,968 27.995,969 95.972,970 19.597,972 317.82,973 60.724,974 117.718,977 317.82,978 42.988,979 80.979,981 54.476,982 317.82,983 60.724,984 117.718,986 0.587,987 0.346,988 0.185,989 0.1,990 25,991 10,992 0.083,993 5,994 2,995 1.167,996 4.278,997 257.762,998 0.167,999 24,1000 132.881,1005 18.688,1006 7.833,1007 3.783,1008 1.867,1009 60.724,1010 14.817,1011 4.346,1013 5.585,1015 4.479,1018 496.262,1019 42,1024 11.966,1028 0.143,1031 55.563,1032 62.896,1034 0.246,1035 0.586,1036 0.801,1037 0.866,1038 0.875,1039 0.875,1040 5.017,1041 1.593,1042 5.932,1043 5.821,1044 4.554,1045 5.04,1046 2.314,1047 6.749,1048 4.516,1049 6.207,1050 1.419,1051 7.492,1052 4.807,1053 4.111,1054 4.832,1055 1.738,1056 7.624,1057 4.044,1058 7.509,1059 1.17,1060 9.149,1061 3.219,1062 6.155,1063 7.22,1064 3.192,1065 10.741,1066 6.076,1067 8.847,1068 1,1069 10.864,1070 3.041,1071 6.553,1072 7.895,1073 3.273,1074 12.475,1075 6.442,1076 10.221,1077 1,1078 12.617,1079 2.275,1080 8.047,1081 9.759,1082 4.394,1083 15.1,1084 7.925,1085 11.621,1086 0.81,1087 14.397,1088 2.136,1089 8.84,1090 10.861,1091 4.768,1092 17.202,1093 8.689,1094 13.042,1095 0.447,1096 16.198,1097 1.925,1098 10.115,1099 12.513,1100 5.706,1101 19.661,1102 9.951,1103 3.246,1104 0.074,1105 18.015,1106 1.129,1107 11.097,1108 13.827,1109 6.226,1110 21.922,1111 10.908,1112 2.925,1113 10.984,1114 19.846,1115 0.188,1116 12.287,1117 15.39,1118 7.061,1119 24.324,1120 12.083,1121 2.723,1122 9.9,1123 21.687,1124 4.558,1125 13.359,1126 16.807,1127 7.661,1128 26.651,1129 13.132,1130 2.47,1131 7.789,1132 23.538,1133 3.697,1134 14.519,1135 18.335,1136 8.437,1137 29.035,1138 14.275,1139 2.125,1140 6.976,1141 25.396,1142 3.457,1143 15.633,1144 19.801,1145 9.08,1146 31.392,1147 15.37,1148 2.019,1149 6.353,1150 27.261,1151 2.753,1152 16.786,1153 21.318,1154 9.824,1155 33.772,1156 16.506,1157 1.913,1158 6.001,1159 29.131,1160 2.627,1161 17.923,1162 22.808,1163 10.492,1164 36.142,1165 17.623,1166 12056,1167 18054,1168 22.77,1169 37.063,1170 50.083,1171 50.981,1172 50.658,1173 49.864,1174 49.87,1175 62.978,1176 7.679,1177 145.09,1178 48.964,1179 5.632,1180 5.826,1181 6.541,1182 5.263,1183 5.246,1184 7.558,1185 3.529,1186 17.963,1187 5.187,1188 10.285,1189 1.518,1190 1.545,1191 1.535,1192 1.511,1193 1.511,1194 1.908,1195 0.233,1196 4.397,1197 1.484,1198 4.137,1199 4.156,1200 4.107,1201 4.032,1202 7.427,1203 4.046,1204 3.95,1205 3.996,1206 3.864,1207 3.866,1208 5.254,1209 3.86,1210 3.825,1211 3.871,1212 3.719,1213 3.722,1214 4.756,1215 3.713,1216 3.702,1217 3.739,1218 3.643,1219 3.51,1220 4.472,1221 3.535,1222 3.394,1223 3.463,1224 3.252,1225 3.216,1226 4.32,1227 3.216,1228 3.146,1229 3.238,1230 3.002,1231 2.996,1232 3.978,1233 2.985,1234 3.13,1235 3.206,1236 2.956,1237 2.941,1238 3.899,1239 2.92,1240 3.111,1241 3.199,1242 2.866,1243 2.931,1244 3.737,1245 2.91,1246 0.14,1247 0.116,1248 0.204,1249 0.128,1250 0.098,1251 4.632,1252 0.138,1253 3.826,1254 0.061,1255 6.739,1256 0.333,1257 4.227,1258 0.097,1259 3.246,1260 4.558,1261 2.015,1262 10.984,1263 3.187,1264 1.95,1265 1.926,1266 2.106,1267 2.07,1268 1.487,1269 2.085,1270 1.922,1271 1.892,1272 2.026,1273 2.001,1274 1.235,1275 2.006,1276 1.83,1277 1.783,1278 1.981,1279 1.945,1280 1.153,1281 1.962,1282 1.512,1283 1.456,1284 1.732,1285 1.755,1286 1.004,1287 1.741,1288 1.479,1289 1.429,1290 1.699,1291 1.7,1292 0.825,1293 1.702,1294 1.22,1295 1.157,1296 1.513,1297 1.453,1298 0.825,1299 1.44,1300 1.153,1301 1.091,1302 1.475,1303 1.404,1304 0.705,1305 1.429,1306 1.15,1307 1.064,1308 1.439,1309 1.376,1310 0.598,1311 1.423,1312 4.205,1314 5.541,1315 3.045,1316 7.066,1317 5.476,1318 8.672,1319 7.609,1320 10.325,1322 1.821,1328 8.457,1332 0.746,1333 4.272,1340 34.815,1341 80.036,1342 190.715,1343 260.541,1344 281.702,1345 284.457,1346 284.457,1347 42.178,1348 8.24,1349 49.58,1350 49.58,1351 28,1352 12.715,1353 4.17,1354 3.322,1355 40.028,1356 137,1357 132,1358 0.142,1359 208.976,1360 358.72,1361 501.661,1362 50346,1364 19.794,1365 0.683,1366 0.584,1367 19.794,1368 16.934,1369 14.17,1370 0.429,1371 0.322,1372 10.497,1373 13.708,1374 10.237,1375 8.437,1376 14.17,1377 10.612,1378 12.933,1379 0.275,1380 0.18,1381 12.933,1382 8.48,1383 11.425,1384 0.179,1385 0.103,1386 11.425,1387 6.569,1388 9.473,1389 0.111,1390 0.056,1391 9.473,1392 4.734,1393 7.775,1394 0.073,1395 0.032,1396 7.775,1397 3.465,1398 0.23,1399 88.193,1400 0.21,1401 28.163,1402 0.367,1403 160,1404 398.406,1405 171.974,1406 386.456,1407 539.72,1408 364,1409 191,1410 411.941,1411 204.64,1412 415.253,1413 607.01,1414 391,1415 9.32}
{0 CHEMBL118033,1 1.397,2 8.238,3 3.801,4 14.448,5 84.187,6 7.469,7 0.708,8 3.726,9 3.835,10 3.316,11 3.353,12 4.824,13 3.325,14 4.238,15 4.385,16 3.69,17 3.765,18 5.255,19 3.72,20 4.464,21 4.634,22 3.823,23 3.924,24 5.475,25 3.863,26 4.544,27 4.738,28 3.717,29 3.904,30 5.565,31 3.814,32 4.569,33 4.814,34 3.5,35 3.811,36 5.464,37 3.684,38 4.377,39 4.62,40 3.263,41 3.624,42 5.246,43 3.474,44 4.205,45 4.476,46 2.954,47 3.379,48 5.014,49 3.204,50 3.933,51 4.234,52 2.59,53 2.966,54 4.748,55 2.787,56 0.032,57 0.501,58 7.303,59 3.342,60 7.723,61 4.288,62 0.09,63 0.817,64 13.394,65 5.885,66 11.959,67 7.59,68 0.096,69 1.052,70 17.147,71 7.269,72 14.79,73 9.673,74 0.16,75 1.173,76 19.151,77 7.513,78 25.568,79 10.164,80 0.2,81 1.154,82 21.545,83 8.11,84 27.939,85 11.173,86 0.172,87 0.907,88 17.755,89 7.337,90 21.863,91 10.128,92 0.087,93 0.761,94 15.373,95 6.315,96 17.011,97 8.914,98 0.146,99 0.566,100 12.512,101 4.703,102 18.726,103 6.702,104 6,105 35,106 0.249,107 0.617,108 0.745,109 0.849,110 0.878,111 0.878,112 3.106,113 0.89,114 -4.54,115 -4.47,116 -4.2,121 48.6,123 2,126 1,144 7,145 4,146 2,148 2,165 1,166 1,167 1,176 11,180 6,185 2,187 14,189 2,192 7,197 2,200 11,203 2,206 6,208 1,209 1,211 4,214 10,216 4,219 1,224 3,227 11,229 3,231 1,232 1,237 2,239 12,241 2,251 7,256 2,258 1,259 1,264 2,269 2,281 477,282 14.593,283 14.593,284 14.593,285 14.593,286 14.593,287 12.593,288 11.352,289 8.4,290 14.834,291 11.781,292 11.781,293 11.781,294 11.781,295 11.781,296 8.666,297 10.118,298 3.895,299 12.091,300 3.812,301 1.756,302 1.038,303 0.453,304 0.291,305 0.291,306 3.808,310 1,311 1,312 1,313 386,314 2.236,318 125.331,322 153.746,325 1.32,326 12.641,327 1,328 1,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 44,338 173,339 4.688,340 3.394,341 6.913,342 4.279,343 3.295,344 4.594,345 0.86,346 11.596,347 3.243,348 4.303,349 3.013,350 6.414,351 3.883,352 2.893,353 4.002,355 9.819,356 2.862,357 3.835,358 2.69,359 5.808,360 3.414,361 2.444,362 3.348,364 7.844,365 2.374,366 3.57,367 2.405,368 5.381,369 3.165,370 2.206,371 2.956,373 6.767,374 2.104,375 3.274,376 2.11,377 5.082,378 2.885,379 1.918,380 2.558,382 5.82,383 1.85,384 2.921,385 1.71,386 4.52,387 2.554,388 1.564,389 2.12,391 4.334,392 1.546,393 2.9,394 1.45,395 3.791,396 2.426,397 1.432,398 2.038,400 3.085,401 1.422,402 2.441,403 1.156,404 3.7,405 1.98,406 1,407 1.416,409 2.531,410 0.978,411 2.084,412 0.964,413 3.465,414 1.826,415 0.84,416 1.013,418 2.018,419 0.827,420 1.65,421 0.912,422 2.964,423 1.357,424 0.486,425 0.547,427 0.769,428 0.419,429 1.351,430 0.236,431 2.886,432 0.998,433 0.042,434 0.053,436 0.11,437 0.04,438 1.078,439 -0.139,440 2.644,441 0.682,442 -0.289,443 -0.368,445 -0.686,446 -0.279,447 0.823,448 -0.315,449 2.442,450 0.472,451 -0.498,452 -0.639,454 -1.199,455 -0.479,456 0.646,457 -0.614,458 2.143,459 0.207,460 -0.777,461 -1.05,463 -2.023,464 -0.762,465 0.551,466 -0.802,467 2.085,468 0.098,469 -0.883,470 -1.218,472 -2.273,473 -0.862,474 10.133,475 0.483,476 0.483,477 0.023,478 30.25,479 1.44,480 17,481 0.81,482 13.25,483 0.631,484 14.336,485 0.683,486 21.067,487 0.569,488 19.576,489 0.932,490 5.895,491 0.281,492 4.38,493 0.209,494 0.089,496 0.395,501 0.928,502 0.968,503 0.78,504 0.881,505 1.083,506 0.821,507 1.126,508 0.968,509 0.804,510 0.849,511 0.811,512 0.811,513 0.932,514 1.171,515 0.882,516 1,517 0.841,518 0.948,519 1.016,520 1.218,521 1.165,522 1.156,523 1.243,524 1.163,525 1.123,526 0.927,527 1.116,528 0.959,529 1.271,530 1.012,531 0.755,532 0.977,533 1.05,534 1.075,535 0.833,536 1.097,537 0.59,538 1.017,539 0.979,540 1.102,541 0.804,542 1.085,543 0.745,544 0.759,545 0.857,546 0.883,547 0.633,548 0.88,549 3.5,550 0.021,551 2.667,552 1.625,553 1.836,554 0.729,555 0.362,556 0.189,557 0.139,558 0.046,559 4140,560 9662,561 2.185,562 43.2,563 4,564 10,567 2,572 1.635,573 2.066,574 3.012,575 0.237,577 1,579 1,582 51.691,583 1.397,584 3.454,585 4.171,586 4.757,587 4.919,588 4.919,589 2.529,590 4.107,591 4.362,592 3.081,593 647.085,594 7.494,595 6429.57,597 1,598 1,599 1,600 192.75,601 1.342,602 4.334,603 0.146,604 0.007,605 0.076,606 0.042,607 0.056,608 0.028,609 0.018,610 0.014,611 0.015,612 0.008,613 0.409,614 0.83,615 1,616 0.741,617 92.043,618 -0.054,619 0.078,620 0.049,621 0.065,622 -0.142,623 0.072,624 -0.078,625 0.023,626 0.088,627 0.119,628 0.003,629 0.117,630 -0.033,631 -0.158,632 0.02,633 -0.047,634 0.033,635 -0.018,636 -0.085,637 -0.157,638 -0.24,639 -0.233,640 -0.123,641 -0.25,642 -0.154,643 0.08,644 -0.124,645 -0.003,646 -0.186,647 -0.045,648 0.085,649 -0.054,650 -0.067,651 -0.078,652 0.052,653 -0.089,654 0.068,655 -0.11,656 0.024,657 -0.094,658 0.025,659 -0.047,660 0.269,661 0.149,662 0.225,663 0.123,664 0.282,665 0.166,666 0.794,667 2.388,668 0.857,669 13.959,670 0.992,671 1.111,672 3.311,673 10.961,674 0.697,675 3.219,676 3.584,677 3.951,678 4.277,679 4.605,680 4.754,681 4.942,682 5.112,683 5.252,684 5.204,685 4.671,686 0.661,687 276.36,688 3.219,689 4.779,690 5.673,691 6.583,692 7.495,693 8.413,694 9.331,695 10.253,696 11.174,697 12.098,698 5.4,702 1,708 1,714 2,715 7,716 1,720 6,722 17,733 1,739 1,741 37,743 17,744 2,745 24,747 40,748 18,749 15,750 5,751 7,756 4,757 10,767 2,770 2,772 15,773 3,790 1,793 16,794 3,795 2,796 3,802 2,808 0.25,809 1,822 1,829 4,833 3,859 1,864 1,868 21,869 1,876 2,878 1,893 2.7,898 1,901 10.167,902 7.033,903 4.583,904 2.211,907 3.645,908 1.483,909 1.061,910 2.776,911 11.186,912 3.512,913 4.205,914 4.903,915 5.565,916 6.225,917 6.633,918 7.129,919 7.61,920 8.076,921 8.329,922 0.833,923 39,924 7.741,926 3.35,927 0.026,929 7.54,931 15.098,933 12.892,936 2.04,937 42.833,938 0.001,941 164.795,942 107.317,943 49.683,945 11,948 107.317,949 175.795,950 49.683,951 10.883,952 5.069,953 99.231,954 16.786,955 36.031,957 164.795,959 164.795,960 156.999,961 11,964 164.795,965 11,968 9.97,969 130.244,970 16.786,972 164.795,973 60.683,974 107.317,977 164.795,978 30.1,979 77.217,981 60.683,982 164.795,983 60.683,984 107.317,986 0.586,987 0.367,988 0.207,989 0.119,990 20,991 8,992 0.025,993 1,994 3,995 1.333,996 3.283,997 178.22,998 0.333,999 18,1000 92.239,1005 12.515,1006 4.659,1007 1.86,1008 2.005,1009 60.683,1010 14.248,1011 4.853,1015 6.419,1017 32.897,1018 332.795,1019 32.5,1031 36.716,1032 41.112,1034 0.268,1035 0.663,1036 0.801,1037 0.913,1038 0.944,1039 0.944,1040 4.756,1041 1,1042 5.673,1043 3.085,1044 4.263,1045 4.89,1046 0.908,1047 6.553,1048 4.218,1049 5.995,1050 0.84,1051 7.272,1052 2.531,1053 3.892,1054 4.808,1056 7.57,1057 3.829,1058 7.334,1059 0.486,1060 8.972,1061 2.018,1062 5.916,1063 7.219,1064 0.739,1065 10.725,1066 5.839,1067 8.714,1068 0.042,1069 10.732,1070 0.769,1071 6.382,1072 7.968,1074 12.559,1075 6.286,1076 10.126,1077 -0.289,1078 12.53,1079 0.11,1080 7.871,1081 9.848,1082 0.593,1083 15.242,1084 7.768,1085 11.561,1086 -0.498,1087 14.354,1088 -0.686,1089 8.724,1090 10.988,1092 17.414,1093 8.603,1094 13.015,1095 -0.777,1096 16.196,1097 -1.199,1098 10.008,1099 12.65,1100 0.469,1101 19.938,1102 9.878,1103 3.295,1104 -0.883,1105 18.052,1106 -2.023,1107 11.038,1108 13.983,1110 22.256,1111 10.893,1112 2.893,1113 11.596,1114 19.919,1115 -2.273,1116 12.246,1117 15.553,1118 0.366,1119 24.723,1120 12.089,1121 2.444,1122 9.819,1123 21.795,1124 4.594,1125 13.357,1126 16.978,1128 27.106,1129 13.185,1130 2.206,1131 7.844,1132 23.679,1133 4.002,1134 14.54,1135 18.511,1136 0.283,1137 29.554,1138 14.354,1139 1.918,1140 6.767,1141 25.568,1142 3.348,1143 15.687,1144 19.981,1146 31.968,1147 15.486,1148 1.564,1149 5.82,1150 27.462,1151 2.956,1152 16.864,1153 21.5,1154 0.217,1155 34.41,1156 16.648,1157 1.432,1158 4.334,1159 29.361,1160 2.558,1161 18.029,1162 22.993,1164 36.84,1165 17.797,1166 3923,1167 6072,1168 16.414,1169 25.796,1170 36.247,1171 36.892,1172 37.744,1173 36.174,1174 36.242,1175 49.289,1176 1.72,1177 109.385,1178 35.329,1179 5.571,1180 5.394,1181 6.594,1182 5.322,1183 5.295,1184 7.594,1185 1.72,1186 19.28,1187 5.243,1188 7.839,1189 1.51,1190 1.537,1191 1.573,1192 1.507,1193 1.51,1194 2.054,1195 0.072,1196 4.558,1197 1.472,1198 4.135,1199 4.16,1200 4.101,1201 4.072,1202 5.152,1203 4.076,1204 3.89,1205 3.912,1206 3.837,1207 3.834,1208 4.865,1209 3.831,1210 3.535,1211 3.575,1212 3.444,1213 3.432,1214 4.758,1215 3.429,1216 3.245,1217 3.315,1218 3.101,1219 3.086,1220 4.445,1221 3.077,1222 3.201,1223 3.272,1224 3.055,1225 2.981,1226 4.17,1227 2.992,1228 3.046,1229 3.131,1230 2.903,1231 2.852,1232 3.898,1233 2.851,1234 2.804,1235 2.878,1236 2.654,1237 2.687,1238 3.679,1239 2.67,1240 2.71,1241 2.806,1242 2.529,1243 2.551,1244 3.516,1245 2.535,1246 0.195,1247 0.141,1248 0.288,1249 0.178,1250 0.137,1251 4.688,1252 0.191,1253 3.394,1254 0.036,1255 6.913,1256 0.483,1257 4.279,1258 0.135,1259 3.295,1260 4.594,1261 0.86,1262 11.596,1263 3.243,1264 2.094,1265 2.073,1266 2.164,1267 2.173,1268 1.389,1269 2.171,1270 1.887,1271 1.866,1272 1.992,1273 1.967,1274 1.133,1275 1.976,1276 1.525,1277 1.488,1278 1.714,1279 1.679,1280 0.879,1281 1.691,1282 1.224,1283 1.164,1284 1.549,1285 1.482,1286 0.572,1287 1.502,1288 1.178,1289 1.106,1290 1.448,1291 1.413,1292 0.557,1293 1.437,1294 1.007,1295 0.941,1296 1.218,1297 1.248,1298 0.244,1299 1.242,1300 0.823,1301 0.762,1302 1.11,1303 1.019,1304 0.205,1305 1.056,1306 0.706,1307 0.634,1308 1.03,1309 0.955,1310 0.105,1311 0.993,1312 3.892,1314 5.242,1316 6.823,1318 8.512,1320 10.256,1322 1.697,1326 6.388,1328 1.906,1330 5.317,1340 24.445,1341 51.691,1342 127.795,1343 154.343,1344 175.995,1345 181.995,1346 181.995,1347 23.696,1348 7.541,1349 48.14,1350 48.14,1351 24,1352 12.604,1353 4.17,1354 3.248,1355 27.902,1356 59,1357 68,1358 0.245,1359 148.025,1360 247.49,1361 352.94,1362 17969,1364 14.397,1365 0.686,1366 0.566,1367 14.397,1368 11.888,1369 10.275,1370 0.428,1371 0.297,1372 7.054,1373 10.026,1374 6.856,1375 5.671,1376 10.275,1377 7.121,1378 9.22,1379 0.263,1380 0.154,1381 9.22,1382 5.393,1383 8.591,1384 0.168,1385 0.083,1386 8.591,1387 4.249,1388 7.48,1389 0.105,1390 0.044,1391 7.48,1392 3.147,1393 6.501,1394 0.066,1395 0.024,1396 6.501,1397 2.359,1398 0.366,1399 63.463,1400 0.247,1401 20.18,1402 0.73,1403 118,1404 286.693,1405 123.959,1406 285.073,1407 407.86,1408 270,1409 145,1410 314.207,1411 151.321,1412 324.063,1413 479.38,1414 306,1415 4.328}
{0 CHEMBL11805,1 1.326,2 26.125,3 7.555,4 57.081,5 200.784,6 5.852,7 0.245,8 4.754,9 4.901,10 4.087,11 4.21,12 5.667,13 4.139,14 5.356,15 5.594,16 4.328,17 4.58,18 6.148,19 4.467,20 5.609,21 5.865,22 4.42,23 4.766,24 6.396,25 4.615,26 5.772,27 6.054,28 4.377,29 4.814,30 6.543,31 4.636,32 5.768,33 6.059,34 4.331,35 4.821,36 6.48,37 4.625,38 5.802,39 6.107,40 4.248,41 4.798,42 6.486,43 4.59,44 5.725,45 6.026,46 4.167,47 4.746,48 6.41,49 4.522,50 5.701,51 6.023,52 4.154,53 4.669,54 6.351,55 4.45,56 0.124,57 1.535,58 28.573,59 11.066,60 18.113,61 16.212,62 0.577,63 2.365,64 50.258,65 16.921,66 38.609,67 25.758,68 0.488,69 2.858,70 62.805,71 22.537,72 54.956,73 33.607,74 0.879,75 3.088,76 73.027,77 24.552,78 86.187,79 37.062,80 0.627,81 3.125,82 71.548,83 25.073,84 68.738,85 38.002,86 0.769,87 3.076,88 73.403,89 25.067,90 75.32,91 38.021,92 0.742,93 2.882,94 67.625,95 24.658,96 70.547,97 36.617,98 0.545,99 2.722,100 65.04,101 22.933,102 60.91,103 34.765,104 69,105 60,106 0.191,107 0.394,108 0.608,109 0.714,110 0.754,111 0.754,112 3.894,113 1.123,114 -5.54,115 -5.42,116 -5.05,121 35.1,123 14,126 6,127 6,144 8,145 2,146 2,160 2,176 19,179 2,180 14,187 16,192 14,200 9,205 2,206 16,214 6,219 12,227 9,232 6,239 14,243 4,244 6,251 18,256 4,264 16,268 1,269 10,277 14,281 7084,282 32.329,283 32.329,284 32.329,285 32.329,286 32.329,287 30.566,288 37.142,289 20.215,290 33.058,291 24.048,292 24.048,293 24.048,294 24.048,295 24.048,296 21.246,297 41.265,298 9.477,299 24.95,300 5.507,301 4.095,302 2.615,303 1.873,304 1.601,305 1.601,306 4.567,313 2558,314 6.481,318 460.338,325 4.458,326 32.547,329 0.5,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.7,337 102,338 1254,339 4.204,340 3.7,341 6.153,342 3.833,343 2.867,344 3.805,345 1.94,346 9.086,347 2.768,348 4.204,349 3.7,350 6.153,351 3.833,352 2.867,353 3.805,354 1.94,355 9.086,356 2.768,357 3.897,358 3.177,359 5.872,360 3.68,361 2.711,362 3.063,363 0.916,364 7.931,365 2.62,366 3.897,367 3.177,368 5.872,369 3.679,370 2.71,371 3.063,372 0.916,373 7.931,374 2.62,375 3.341,376 2.654,377 5.04,378 3.213,379 2.29,380 2.387,381 0.86,382 6.064,383 2.113,384 3.341,385 2.654,386 5.04,387 3.212,388 2.29,389 2.387,390 0.86,391 6.064,392 2.113,393 2.934,394 2.234,395 4.282,396 2.901,397 1.901,398 2.087,399 0.555,400 4.067,401 1.898,402 2.917,403 2.219,404 4.282,405 2.754,406 1.768,407 2.087,408 0.555,409 4.026,410 1.737,411 2.917,412 1.944,413 4.15,414 2.677,415 1.695,416 1.947,417 0.172,418 3.961,419 1.661,420 2.852,421 1.944,422 4.13,423 2.55,424 1.568,425 1.937,426 0.172,427 3.89,428 1.54,429 2.836,430 1.794,431 3.814,432 2.481,433 1.531,434 1.916,436 3.511,437 1.445,438 2.784,439 1.677,440 3.648,441 2.466,442 1.496,443 1.789,445 3.128,446 1.439,447 2.659,448 1.676,449 3.629,450 2.425,451 1.431,452 1.662,454 3.043,455 1.42,456 2.545,457 1.493,458 3.596,459 2.382,460 1.392,461 1.532,463 2.981,464 1.375,465 2.444,466 1.493,467 3.544,468 2.279,469 1.284,470 1.396,472 2.838,473 1.271,474 22.933,475 0.478,476 0.842,477 0.018,478 45,479 0.938,480 16,481 0.333,482 29,483 0.604,484 61.448,485 1.28,486 58.067,487 0.509,488 36.265,489 0.756,490 8.508,491 0.177,492 14.736,493 0.307,494 0.16,496 0.201,501 0.797,502 1.694,503 1.067,504 1.465,505 0.587,506 1.317,507 1.188,508 1.057,509 1.118,510 1.012,511 0.66,512 1.036,513 0.967,514 1.21,515 1.059,516 1.182,517 0.952,518 1.135,519 1.273,520 1.008,521 1.089,522 0.992,523 1.481,524 1.02,525 0.91,526 1.085,527 1.039,528 1.075,529 1.018,530 1.069,531 1.113,532 0.912,533 1.038,534 0.934,535 1.07,536 0.97,537 0.781,538 0.981,539 1.02,540 1.052,541 1.036,542 1.065,543 0.721,544 0.963,545 0.825,546 0.934,547 0.832,548 0.899,549 7.5,550 0.273,551 4.667,552 2.375,553 1.964,554 1.083,555 0.568,556 0.431,557 0.337,558 0.211,559 60333,560 123953,561 1.939,562 57.9,563 16,564 38,568 4,569 8,572 1.832,573 1.823,574 4.593,575 -0.829,582 151.142,583 1.326,584 2.738,585 4.218,586 4.96,587 5.232,588 5.232,589 3.97,590 4.502,591 5.559,592 4.896,593 5522.76,594 9.803,595 143411,600 778.949,601 1.326,602 5.517,603 0.153,604 0.006,605 0.078,606 0.038,607 0.034,608 0.02,609 0.011,610 0.01,611 0.007,612 0.005,613 0.361,614 0.17,615 0.63,616 0.738,617 306.936,618 0.044,619 -0.298,620 0.049,621 -0.149,622 0.033,623 -0.066,624 -0.047,625 0.132,626 -0.035,627 0.056,628 0.025,629 0.022,630 -0.024,631 -0.117,632 -0.038,633 -0.109,634 0.016,635 -0.078,636 -0.068,637 -0.009,638 -0.067,639 -0.008,640 -0.108,641 -0.036,642 -0.046,643 -0.076,644 -0.058,645 -0.074,646 -0.052,647 -0.068,648 -0.102,649 0.046,650 -0.056,651 0.022,652 -0.08,653 -0.007,654 0.041,655 -0.016,656 -0.062,657 -0.06,658 -0.046,659 -0.073,660 0.046,661 -0.051,662 0.109,663 0.019,664 0.042,665 0.063,666 1.401,667 5.546,668 0.25,669 105.215,670 0.983,671 1.138,672 4.311,673 18.584,674 0.609,675 3.912,676 4.111,677 4.248,678 4.317,679 4.382,680 4.263,681 4.19,682 4.174,683 4.127,684 4.111,685 15.584,686 0.555,687 667.1,688 3.912,689 5.389,690 6.168,691 6.969,692 7.762,693 8.567,694 9.365,695 10.172,696 10.974,697 11.783,698 3.5,701 2,705 2,715 8,720 4,722 12,739 2,741 114,743 14,744 2,745 49,747 115,748 40,749 12,750 4,751 8,756 2,757 2,770 14,772 14,773 26,777 2,782 2,786 2,793 66,794 8,796 8,802 4,808 1,809 4,829 2,844 2,855 2,859 2,864 6,868 48,876 20,878 2,881 4,893 3.5,896 2,898 2,901 26.333,902 21.633,903 11.361,904 7.375,907 1.527,908 1.203,909 0.905,910 22.184,911 9.043,912 4.06,913 4.431,914 4.783,915 5.092,916 5.436,917 5.243,918 5.231,919 5.22,920 5.116,921 5.146,922 0.941,923 63,924 17.886,926 6.955,927 0.026,929 7.521,931 35.53,933 27.65,936 2.021,937 97,941 776.893,942 205.547,943 12.497,945 72.29,948 205.547,949 849.182,950 12.497,951 55.352,952 54.366,953 75.81,954 59.699,955 45.106,957 776.893,959 776.893,960 218.044,961 72.29,964 682.724,965 166.458,968 60.615,969 157.429,972 776.893,973 84.787,974 205.547,977 776.893,978 74.385,979 143.659,981 72.29,982 776.893,983 84.787,984 205.547,986 0.55,987 0.312,988 0.153,989 0.076,990 16,991 10,992 0.235,993 27,995 1,996 6.077,997 397.951,999 12,1000 220.078,1005 41.728,1006 25.519,1007 18.227,1009 84.787,1010 16.344,1015 4.288,1018 1067.23,1019 57,1024 25.092,1028 0.531,1031 112.108,1032 129.702,1034 0.194,1035 0.401,1036 0.617,1037 0.726,1038 0.766,1039 0.766,1040 5.252,1041 1.768,1042 6.084,1043 4.067,1044 4.796,1045 5.118,1046 3.013,1047 6.749,1048 4.727,1049 6.35,1050 1.695,1051 7.561,1052 4.026,1053 4.111,1054 4.635,1055 2.339,1056 7.413,1057 3.971,1058 7.577,1059 1.568,1060 9.142,1061 3.961,1062 6.248,1063 7.017,1064 3.737,1065 10.449,1066 6.106,1067 8.839,1068 1.531,1069 10.788,1070 3.89,1071 6.431,1072 7.417,1073 3.823,1074 11.997,1075 6.213,1076 10.139,1077 1.496,1078 12.478,1079 3.511,1080 7.966,1081 9.271,1082 4.841,1083 14.508,1084 7.75,1085 11.466,1086 1.431,1087 14.199,1088 3.128,1089 8.574,1090 10.09,1091 5.232,1092 16.412,1093 8.289,1094 12.814,1095 1.392,1096 15.94,1097 3.043,1098 9.841,1099 11.717,1100 6.078,1101 18.731,1102 9.552,1103 2.867,1104 1.284,1105 17.697,1106 2.981,1107 10.663,1108 12.751,1109 6.605,1110 20.789,1111 10.316,1112 2.867,1113 9.086,1114 19.464,1115 2.838,1116 11.805,1117 14.262,1118 7.363,1119 23.031,1120 11.446,1121 2.711,1122 9.086,1123 21.239,1124 3.805,1125 12.734,1126 15.414,1127 7.956,1128 25.16,1129 12.325,1130 2.71,1131 7.931,1132 23.02,1133 3.805,1134 13.818,1135 16.858,1136 8.669,1137 27.372,1138 13.389,1139 2.29,1140 7.931,1141 24.806,1142 3.063,1143 14.801,1144 18.08,1145 9.296,1146 29.534,1147 14.328,1148 2.29,1149 6.064,1150 26.596,1151 3.063,1152 15.859,1153 19.483,1154 9.985,1155 31.735,1156 15.361,1157 1.901,1158 6.064,1159 28.388,1160 2.387,1161 16.868,1162 20.748,1163 10.629,1164 33.914,1165 16.33,1166 59666,1167 85706,1168 31.781,1169 69.444,1170 68.448,1171 70.137,1172 70.826,1173 68.081,1174 68.013,1175 78.76,1176 17.779,1177 172.125,1178 65.669,1179 5.196,1180 5.7,1181 6.043,1182 4.858,1183 4.867,1184 6.805,1185 3.348,1186 15.258,1187 4.768,1188 29.686,1189 1.397,1190 1.431,1191 1.445,1192 1.389,1193 1.388,1194 1.607,1195 0.363,1196 3.513,1197 1.34,1198 3.982,1199 4.024,1200 3.903,1201 3.885,1202 7.429,1203 3.885,1204 3.922,1205 3.953,1206 3.859,1207 3.844,1208 7.425,1209 3.843,1210 3.85,1211 3.902,1212 3.735,1213 3.71,1214 4.877,1215 3.703,1216 3.792,1217 3.849,1218 3.681,1219 3.633,1220 4.847,1221 3.631,1222 3.736,1223 3.799,1224 3.578,1225 3.607,1226 4.396,1227 3.591,1228 3.67,1229 3.743,1230 3.527,1231 3.493,1232 4.392,1233 3.49,1234 3.603,1235 3.671,1236 3.473,1237 3.399,1238 4.306,1239 3.408,1240 3.506,1241 3.583,1242 3.339,1243 3.328,1244 4.258,1245 3.322,1246 0.086,1247 0.076,1248 0.126,1249 0.078,1250 0.059,1251 4.204,1252 0.078,1253 3.7,1254 0.04,1255 6.153,1256 0.185,1257 3.833,1258 0.056,1259 2.867,1260 3.805,1261 1.94,1262 9.086,1263 2.768,1264 1.911,1265 1.885,1266 2.056,1267 2.028,1268 1.411,1269 2.036,1270 1.911,1271 1.885,1272 2.044,1273 2.027,1274 1.357,1275 2.034,1276 1.818,1277 1.758,1278 2.04,1279 1.993,1280 1.354,1281 2.012,1282 1.774,1283 1.717,1284 1.99,1285 1.957,1286 1.229,1287 1.967,1288 1.75,1289 1.69,1290 1.982,1291 1.913,1292 1.177,1293 1.94,1294 1.655,1295 1.584,1296 1.903,1297 1.861,1298 1.173,1299 1.879,1300 1.561,1301 1.493,1302 1.801,1303 1.794,1304 1.024,1305 1.801,1306 1.499,1307 1.426,1308 1.765,1309 1.716,1310 0.995,1311 1.74,1312 4.595,1314 5.826,1316 7.228,1318 8.711,1320 10.239,1322 11.602,1328 19.764,1330 10.92,1333 8.46,1340 63.276,1341 151.142,1342 312.167,1343 480.871,1344 565.401,1345 596.42,1346 596.42,1347 188.905,1348 7.515,1349 65.56,1350 65.56,1351 12,1352 12.374,1353 3.907,1354 3.17,1355 152.635,1356 462,1357 348,1358 0.149,1359 399.42,1360 712.08,1361 966.346,1362 28741,1364 34.987,1365 0.729,1366 0.65,1367 34.987,1368 31.183,1369 23.244,1370 0.474,1371 0.374,1372 18.086,1373 22.364,1374 17.41,1375 14.735,1376 23.244,1377 18.335,1378 18.991,1379 0.317,1380 0.225,1381 18.991,1382 13.472,1383 14.817,1384 0.215,1385 0.134,1386 14.817,1387 9.215,1388 10.583,1389 0.143,1390 0.083,1391 10.583,1392 6.113,1393 7.652,1394 0.097,1395 0.05,1396 7.652,1397 3.975,1398 0.26,1399 145.56,1400 0.177,1401 44.639,1402 0.351,1403 218,1404 559.523,1405 235.846,1406 530.8,1407 701.62,1408 498,1409 238,1410 478.814,1411 257.292,1412 493.877,1413 696.78,1414 454,1415 6.877}
{0 CHEMBL118139,1 1.252,2 6.85,3 3.852,4 14.839,5 82.273,6 7.232,7 0.739,8 3.685,9 3.804,10 3.253,11 3.356,12 4.738,13 3.309,14 4.201,15 4.354,16 3.626,17 3.779,18 5.168,19 3.707,20 4.522,21 4.722,22 3.807,23 3.979,24 5.453,25 3.895,26 4.577,27 4.786,28 3.727,29 3.957,30 5.545,31 3.85,32 4.567,33 4.794,34 3.565,35 3.886,36 5.511,37 3.757,38 4.511,39 4.79,40 3.146,41 3.691,42 5.316,43 3.495,44 4.21,45 4.521,46 2.708,47 3.339,48 4.884,49 3.111,50 3.71,51 4.027,52 1.953,53 2.777,54 4.342,55 2.499,56 0.039,57 0.481,58 7.309,59 3.214,60 7.13,61 4.391,62 0.054,63 0.798,64 12.877,65 5.796,66 8.427,67 8.012,68 0.107,69 1.12,70 19.029,71 7.92,72 15.785,73 11.089,74 0.153,75 1.209,76 20.382,77 8.182,78 22.753,79 11.472,80 0.158,81 1.199,82 20.688,83 7.923,84 26.246,85 11.146,86 0.146,87 1.09,88 20.84,89 8.292,90 26.458,91 11.813,92 0.085,93 0.764,94 15.962,95 6.803,96 16.726,97 9.767,98 0.044,99 0.452,100 9.668,101 4.223,102 10.086,103 6.073,104 2,105 33,106 0.225,107 0.582,108 0.709,109 0.848,110 0.888,111 0.888,112 3.061,113 0.926,114 -4.84,115 -4.75,116 -4.46,121 50,123 3,144 8,145 4,146 1,148 2,165 1,166 1,167 1,176 14,180 4,185 2,187 18,189 2,192 4,197 2,200 17,203 2,206 4,208 1,209 1,211 5,214 13,216 5,219 2,224 5,227 15,229 5,232 1,237 1,239 13,241 1,251 10,264 4,277 1,281 404,282 13.983,283 13.983,284 13.983,285 13.983,286 13.983,287 11.954,288 10.438,289 8.26,290 14.048,291 11.377,292 11.377,293 11.377,294 11.377,295 11.377,296 8.337,297 8.829,298 3.904,299 11.502,300 3.918,301 1.931,302 1.222,303 0.444,304 0.222,305 0.222,306 3.767,310 1,311 1,312 1,313 309,314 1.871,318 82.787,319 29.427,322 45.708,323 96.055,325 0.98,326 10.119,328 1,329 1,330 0.83,331 1,332 0.6,333 0.5,334 1,335 1,336 0.85,337 41,338 137,339 4.696,340 3.374,341 6.99,342 4.288,343 3.302,344 4.601,346 11.871,347 3.259,348 4.239,349 2.901,350 6.322,351 3.814,352 2.821,353 3.926,355 9.52,356 2.799,357 3.718,358 2.498,359 5.717,360 3.311,361 2.321,362 3.203,364 7.541,365 2.297,366 3.476,367 2.236,368 5.284,369 3.073,370 2.106,371 2.854,373 6.332,374 2.033,375 2.956,376 1.771,377 4.53,378 2.653,379 1.659,380 2.149,382 4.36,383 1.648,384 2.938,385 1.46,386 3.926,387 2.45,388 1.455,389 2.11,391 3.125,392 1.447,393 2.819,394 1.43,395 3.674,396 2.384,397 1.389,398 1.943,400 3.078,401 1.381,402 2.484,403 1.092,404 3.604,405 2.065,406 1.068,407 1.477,409 2.629,410 1.064,411 2.224,412 0.966,413 3.396,414 1.92,415 0.934,416 1.172,418 2.18,419 0.92,420 1.44,421 0.255,422 3.112,423 1.1,424 0.134,425 0.167,427 0.34,428 0.129,429 1.263,430 0.18,431 2.783,432 0.991,438 1.044,439 -0.163,440 2.536,441 0.69,442 -0.284,443 -0.368,445 -0.699,446 -0.277,447 0.67,448 -0.699,449 2.204,450 0.233,451 -0.754,452 -1.049,454 -1.87,455 -0.744,456 0.532,457 -0.881,458 2,459 0.084,460 -0.913,461 -1.265,463 -2.171,464 -0.904,465 0.511,466 -0.894,467 2,468 0.06,469 -0.926,470 -1.317,472 -2.286,473 -0.919,474 9.8,475 0.49,476 0.415,477 0.021,478 28.75,479 1.438,480 16.5,481 0.825,482 12.25,483 0.613,484 13.898,485 0.695,486 19.6,487 0.544,488 17.865,489 0.893,490 5.415,491 0.271,492 4.429,493 0.221,494 0.041,496 0.357,501 1.036,502 0.897,503 0.817,504 0.813,505 1.133,506 0.803,507 0.702,508 1.08,509 0.85,510 0.989,511 0.67,512 0.941,513 0.987,514 1.027,515 0.842,516 0.902,517 0.815,518 0.87,519 1.192,520 1.192,521 1.084,522 1.114,523 1.054,524 1.096,525 1.643,526 1.134,527 1.237,528 1.109,529 1.575,530 1.139,531 1.245,532 0.946,533 1.177,534 1.054,535 1.366,536 1.1,537 0.519,538 0.764,539 0.898,540 0.907,541 0.637,542 0.924,543 0.334,544 0.926,545 1.009,546 1.101,547 0.545,548 1.1,549 2.5,551 2.222,552 1.813,553 1.53,554 0.618,555 0.231,556 0.056,557 0.032,559 3500,560 7258,561 2.226,562 44.4,563 4,564 8,567 2,568 2,572 1.626,573 2.143,574 2.779,575 0.213,577 1,579 1,582 45.059,583 1.252,584 3.239,585 3.948,586 4.725,587 4.948,588 4.948,589 2.228,590 4.122,591 4.3,592 2.834,593 538.515,594 7.386,595 5184.77,597 1,598 1,599 1,600 186.117,601 1.188,602 4.278,603 0.109,605 0.067,606 0.046,607 0.045,608 0.022,609 0.014,610 0.005,611 0.008,613 0.316,614 0.83,615 1,616 0.432,617 84.716,618 -0.093,619 0.13,620 0.044,621 0.112,622 -0.134,623 0.091,624 0.066,625 -0.104,626 0.035,627 -0.037,628 0.032,629 -0.01,630 0.048,631 -0.028,632 0.101,633 0.05,634 0.072,635 0.073,636 0.044,637 -0.169,638 -0.129,639 -0.182,640 0.064,641 -0.17,642 -0.272,643 -0.094,644 -0.264,645 -0.181,646 -0.225,647 -0.214,648 -0.202,649 0.019,650 -0.167,651 -0.071,652 -0.195,653 -0.108,654 0.068,655 0.114,656 0.131,657 0.135,658 0.056,659 0.137,660 0.108,661 -0.083,662 0.02,663 -0.046,664 0.048,665 -0.024,666 0.792,667 2.484,668 0.95,669 10.3,670 0.983,671 1.108,672 3.611,673 13.036,674 0.704,675 3.178,676 3.526,677 3.892,678 4.234,679 4.533,680 4.663,681 4.796,682 4.934,683 5.043,684 5.075,685 4.128,686 0.659,687 260.36,688 3.178,689 4.727,690 5.617,691 6.524,692 7.431,693 8.346,694 9.259,695 10.177,696 11.092,697 12.012,698 5.6,702 1,708 1,714 2,715 8,716 1,720 5,722 17,733 1,741 36,743 17,744 2,745 23,747 39,748 18,749 15,750 4,751 8,756 4,757 10,767 3,770 3,772 15,773 3,790 1,793 16,794 2,795 2,796 2,802 2,808 0.25,822 1,829 3,830 1,833 1,834 2,859 1,868 20,869 1,876 3,901 9.333,902 6.45,903 4.333,904 2.308,907 3.653,908 1.492,909 1.08,910 2.576,911 11.08,912 3.481,913 4.159,914 4.854,915 5.528,916 6.167,917 6.541,918 7.012,919 7.47,920 7.889,921 8.127,922 0.8,923 39,924 7.393,926 3.221,927 0.026,929 7.458,931 14.606,933 12.671,936 1.958,937 39.167,938 0.002,941 164.795,942 103.201,943 49.683,948 103.201,949 164.795,950 49.683,952 7.604,953 108.707,954 16.786,955 19.787,957 164.795,959 164.795,960 152.884,964 164.795,968 12.504,969 123.594,970 16.786,972 164.795,973 49.683,974 103.201,977 164.795,978 27.391,979 75.81,981 49.683,982 164.795,983 49.683,984 103.201,986 0.582,987 0.361,988 0.217,989 0.123,990 19,991 7,994 3,995 1.316,996 3.173,997 169.079,998 0.316,999 19,1000 86.439,1005 11.629,1006 4.431,1007 1.766,1008 2.061,1009 49.683,1010 16.72,1011 4.855,1015 5.814,1017 32.897,1018 317.679,1019 31.5,1031 35.389,1032 39.903,1034 0.242,1035 0.627,1036 0.764,1037 0.914,1038 0.957,1039 0.957,1040 4.712,1041 1.068,1042 5.602,1043 3.078,1044 4.205,1045 4.844,1047 6.475,1048 4.181,1049 5.939,1050 0.934,1051 7.191,1052 2.629,1053 3.761,1054 4.691,1056 7.496,1057 3.718,1058 7.268,1059 0.134,1060 8.888,1061 2.18,1062 5.838,1063 7.159,1065 10.681,1066 5.79,1067 8.64,1069 10.652,1070 0.34,1071 6.275,1072 7.88,1074 12.561,1075 6.209,1076 10.048,1077 -0.284,1078 12.459,1080 7.791,1081 9.789,1083 15.261,1084 7.72,1085 11.483,1086 -0.754,1087 14.295,1088 -0.699,1089 8.641,1090 10.925,1092 17.481,1093 8.553,1094 12.938,1095 -0.913,1096 16.151,1097 -1.87,1098 9.938,1099 12.602,1101 20.023,1102 9.842,1103 3.302,1104 -0.926,1105 18.021,1106 -2.171,1107 10.975,1108 13.937,1110 22.384,1111 10.863,1112 2.821,1113 11.871,1114 19.903,1115 -2.286,1116 12.191,1117 15.516,1119 24.874,1120 12.069,1121 2.321,1122 9.52,1123 21.795,1124 4.601,1125 13.31,1126 16.946,1128 27.295,1129 13.174,1130 2.106,1131 7.541,1132 23.693,1133 3.926,1134 14.5,1135 18.486,1137 29.769,1138 14.351,1139 1.659,1140 6.332,1141 25.597,1142 3.203,1143 15.655,1144 19.961,1146 32.217,1147 15.492,1148 1.455,1149 4.36,1150 27.507,1151 2.854,1152 16.838,1153 21.486,1155 34.686,1156 16.663,1157 1.389,1158 3.125,1159 29.421,1160 2.149,1161 18.01,1162 22.984,1164 37.147,1165 17.82,1166 3276,1167 4799,1168 16.008,1169 25.341,1170 34.588,1171 34.643,1172 35.72,1173 34.382,1174 34.375,1175 47.204,1177 101.95,1178 33.955,1179 5.56,1180 5.374,1181 6.676,1182 5.331,1183 5.302,1184 7.601,1186 19.477,1187 5.259,1188 4.893,1189 1.504,1190 1.506,1191 1.553,1192 1.495,1193 1.495,1194 2.052,1196 4.433,1197 1.476,1198 4.128,1199 4.154,1200 4.092,1201 4.068,1202 5.151,1203 4.07,1204 3.885,1205 3.914,1206 3.821,1207 3.834,1208 4.788,1209 3.827,1210 3.551,1211 3.606,1212 3.434,1213 3.454,1214 4.705,1215 3.442,1216 3.369,1217 3.429,1218 3.245,1219 3.255,1220 4.335,1221 3.246,1222 3.088,1223 3.171,1224 2.977,1225 2.923,1226 3.932,1227 2.925,1228 2.88,1229 2.951,1230 2.737,1231 2.758,1232 3.744,1233 2.746,1234 2.816,1235 2.883,1236 2.682,1237 2.715,1238 3.601,1239 2.7,1240 2.699,1241 2.814,1242 2.481,1243 2.504,1244 3.482,1245 2.484,1246 0.204,1247 0.147,1248 0.304,1249 0.186,1250 0.144,1251 4.696,1252 0.2,1253 3.374,1255 6.99,1256 0.516,1257 4.288,1258 0.142,1259 3.302,1260 4.601,1262 11.871,1263 3.259,1264 2.063,1265 2.043,1266 2.126,1267 2.14,1268 1.289,1269 2.137,1270 1.899,1271 1.872,1272 2.029,1273 1.978,1274 1.281,1275 1.997,1276 1.635,1277 1.587,1278 1.845,1279 1.765,1280 1.033,1281 1.795,1282 1.346,1283 1.295,1284 1.534,1285 1.511,1286 0.643,1287 1.524,1288 1.057,1289 0.991,1290 1.321,1291 1.304,1292 0.447,1293 1.314,1294 0.897,1295 0.836,1296 1.165,1297 1.081,1298 0.219,1299 1.115,1300 0.851,1301 0.795,1302 1.117,1303 1.032,1304 0.173,1305 1.067,1306 0.654,1307 0.539,1308 1.001,1309 0.947,1310 0.039,1311 0.978,1312 3.85,1314 5.187,1316 6.746,1317 2.708,1318 8.412,1319 5.293,1320 10.132,1326 6.484,1328 3.232,1340 23.73,1341 45.059,1342 116.608,1343 142.117,1344 170.117,1345 178.117,1346 178.117,1347 21.854,1348 7.427,1349 38.91,1350 38.91,1351 25,1352 12.521,1353 4.17,1354 3.248,1355 25.891,1356 50,1357 43,1358 0.268,1359 144.028,1360 238.7,1361 343.189,1362 16214,1364 13.527,1365 0.676,1366 0.563,1367 13.527,1368 11.265,1369 9.843,1370 0.428,1371 0.309,1372 7.073,1373 9.749,1374 6.911,1375 5.709,1376 9.843,1377 7.098,1378 8.78,1379 0.266,1380 0.163,1381 8.78,1382 5.375,1383 8.012,1384 0.167,1385 0.087,1386 8.012,1387 4.154,1388 7.275,1389 0.107,1390 0.047,1391 7.275,1392 3.2,1393 6.271,1394 0.068,1395 0.026,1396 6.271,1397 2.388,1398 0.391,1399 59.757,1400 0.25,1401 19.034,1402 0.837,1403 112,1404 234.957,1405 115.081,1406 242.803,1407 353.21,1408 230,1409 137,1410 277.662,1411 140.497,1412 287.391,1413 426.95,1414 274,1415 4.418}
{0 CHEMBL118305,1 1.837,2 5.5,3 0.565,4 0.319,5 46.019,6 10.674,7 0.4,8 3.097,9 3.161,10 2.924,11 2.62,12 4.587,13 2.693,14 3.534,15 3.589,16 3.314,17 2.992,18 5.262,19 3.069,20 3.723,21 3.818,22 3.329,23 2.969,24 5.501,25 3.058,26 3.642,27 3.774,28 2.986,29 2.681,30 5.257,31 2.771,32 3.261,33 3.377,34 2.724,35 2.07,36 5.028,37 2.284,38 2.734,39 2.741,40 2.501,41 1.324,42 5.233,43 1.732,44 1.949,45 1.924,46 1.563,47 0.565,48 4.727,49 0.875,56 0.19,57 0.281,58 1.028,59 1.284,60 31.866,61 0.915,62 0.356,63 0.416,64 1.56,65 2.228,66 71.812,67 1.682,68 0.497,69 0.456,70 3.494,71 2.598,72 93.668,73 2.019,74 0.55,75 0.373,76 5.346,77 2.437,78 106.736,79 1.82,80 0.426,81 0.222,82 4.571,83 1.544,84 90.112,85 1.201,86 0.304,87 0.105,88 1.798,89 0.502,90 67.428,91 0.055,92 0.193,93 0.028,94 1.107,95 0.276,96 50.111,97 0.032,104 18,105 22,106 0.391,107 0.704,108 0.784,109 0.84,110 0.863,111 0.863,112 2.736,113 0.747,114 -2.2,115 -2.24,116 -2.22,121 44.4,144 3,145 1,146 2,159 1,160 1,168 2,176 2,179 1,180 3,183 1,185 2,187 2,191 1,192 8,195 1,197 2,200 2,206 7,218 1,219 2,222 1,231 3,235 2,243 2,281 148,282 9,283 9,284 9,285 9,286 9,287 7.788,288 12.959,289 5.063,290 9.061,291 7.347,292 7.347,293 7.347,294 7.347,295 7.347,296 5.373,297 16.792,298 2.367,299 7.405,300 2.333,301 0.862,302 0.486,303 0.222,304 0.111,305 0.111,306 3.368,312 1,313 158,314 2.345,317 26.246,318 30.517,321 47.767,325 0.929,326 29.548,329 1,330 0.83,331 0.83,332 0.4,334 1,335 1,336 0.72,337 33,338 77,339 4.524,340 3.891,341 6.671,342 4.18,343 3.176,344 4.183,345 2.612,346 10.672,347 3.186,348 4.132,349 3.771,350 5.9,351 3.634,352 2.656,353 3.68,354 1.058,355 8.092,356 2.592,357 3.531,358 2.899,359 5.356,360 3.057,361 2.04,362 2.861,364 6.226,365 2.06,366 3.044,367 2.619,368 4.735,369 2.656,370 1.657,371 2.162,373 4.854,374 1.644,375 2.894,376 1.909,377 3.791,378 2.216,379 1.217,380 1.978,382 2.888,383 1.214,384 2.372,385 1.341,386 3.474,387 1.809,388 0.768,389 1.145,391 1.911,392 0.791,393 1.382,394 1,395 2.446,396 0.906,397 -0.144,398 -0.213,400 -0.337,401 -0.149,402 1,403 0.651,404 2.28,405 0.234,406 -0.788,407 -1.069,409 -2,410 -0.794,411 0.702,412 0.034,413 2.221,414 0.147,415 -0.861,416 -1.247,418 -2.089,419 -0.867,420 0.603,421 -0.536,422 1.711,424 -1,425 -1.877,427 -2.523,428 -1,429 0.139,430 -0.915,431 1.336,432 -0.257,433 -1.337,434 -2,436 -3.657,437 -1.424,438 -0.427,439 -1.29,440 1.26,441 -0.7,442 -1.659,443 -2,445 -5.39,446 -1.61,447 -0.5,448 -1.548,449 1.098,450 -0.799,451 -1.788,452 -2.206,453 -0.612,454 -5.401,455 -1.757,456 -0.581,457 -1.824,458 1,459 -0.982,460 -1.938,461 -2.397,462 -1.058,463 -6.362,464 -1.885,465 -0.816,466 -2,467 0.721,468 -1,469 -2,470 -3,471 -2,472 -6.884,473 -2,474 6.133,475 0.438,476 0.494,477 0.035,478 21.75,479 1.554,480 12.5,481 0.893,482 9.25,483 0.661,484 5.848,485 0.418,486 14.867,487 0.826,488 14.024,489 1.002,490 4.447,491 0.318,492 2.145,493 0.153,494 0.217,496 0.473,501 0.47,502 0.931,503 0.499,504 0.741,505 0.551,506 0.682,507 0.529,508 1.194,509 0.58,510 1.086,511 0.518,512 0.984,513 0.805,514 1.149,515 0.942,516 1.196,517 0.709,518 1.179,519 1.335,520 1.06,521 1.457,522 1.135,523 1.221,524 1.264,525 1.637,526 0.906,527 1.241,528 1.006,529 1.744,530 0.913,531 1.42,532 0.413,533 1.075,534 0.464,535 1.794,536 0.48,537 1.641,539 1.824,540 0.017,541 1.653,542 0.596,549 3.5,551 2.222,552 1.451,553 0.648,554 0.545,555 0.193,559 1138,560 6003,561 1.952,562 22.2,564 3,567 1,572 1.513,573 1.75,574 2.532,575 -0.027,582 33.059,583 1.837,584 3.308,585 3.684,586 3.948,587 4.059,588 4.059,589 1.985,590 3.379,591 3.781,592 2.583,593 235.086,594 6.319,595 1794.71,597 1,600 75.059,601 1.557,602 3.689,603 0.233,605 0.101,606 0.069,607 0.046,608 0.055,609 0.028,613 0.532,614 0.67,615 1,616 1.06,617 51.591,618 0.127,619 0.211,620 0.012,621 0.193,622 -0.013,623 0.088,624 0.154,625 -0.157,626 0.021,627 -0.115,628 0.135,629 -0.149,630 0.001,631 -0.181,632 -0.048,633 -0.245,634 0.067,635 -0.205,636 -0.385,637 -0.198,638 -0.257,639 -0.161,640 -0.283,641 -0.114,642 -0.439,643 -0.104,644 0.11,645 -0.066,646 -0.51,647 0.209,648 0.321,649 0.479,650 -0.038,651 0.271,652 0.104,653 0.012,654 0.665,655 0.539,656 -0.397,657 0.901,658 0.955,659 0.1,666 2.615,667 4.137,668 0.643,669 6.592,670 1.078,671 1.125,672 0.972,673 0.946,674 0.699,675 2.773,676 3.135,677 3.401,678 3.611,679 3.784,680 3.784,681 3.761,682 3.664,683 2.996,684 1.792,685 3.502,686 0.746,687 192.14,688 2.773,689 4.317,690 5.176,691 6.066,692 6.95,693 7.843,694 8.734,695 9.629,696 10.522,697 11.417,698 11.1,705 1,709 1,715 3,720 3,722 6,727 1,735 1,741 18,743 10,744 1,745 15,747 19,748 8,749 6,750 3,751 3,752 2,756 2,757 3,772 8,777 4,779 1,782 4,786 2,793 4,794 5,795 1,796 6,802 2,808 0.5,809 4,828 1,829 1,832 1,843 1,859 1,868 14,877 1,893 22.2,896 2,899 2,901 8,902 3.367,903 3.028,904 0.957,907 1.715,908 1.299,909 0.959,910 1.741,911 7.441,912 3.135,913 3.75,914 4.28,915 4.761,916 5.29,917 5.57,918 5.798,919 5.87,920 5.433,921 4.275,922 0.75,923 21,924 5.151,925 0.002,926 2.349,927 0.026,929 8.845,931 8.846,932 0.001,933 7.138,934 -0.001,936 3.345,937 46.833,938 0.001,941 35.313,942 46.966,943 23.681,945 101.037,948 46.966,949 136.35,950 23.681,951 5.67,952 18.011,953 28.429,954 60.128,955 8.699,957 35.313,958 50.747,959 35.313,960 70.647,961 101.037,964 35.313,965 50.29,966 50.747,968 18.011,969 46.966,970 5.67,972 35.313,973 124.718,974 46.966,977 35.313,978 18.537,979 34.099,980 18.011,981 101.037,982 35.313,983 124.718,984 46.966,986 0.603,987 0.357,988 0.173,989 0.095,990 12,991 6,992 0.053,993 1,994 1,995 1.222,996 2.516,997 90.32,998 0.222,999 9,1000 51.303,1005 8.691,1006 2.805,1007 1.265,1009 119.048,1010 3.67,1015 0.184,1017 18.011,1018 206.997,1019 22,1021 -0.615,1024 42.774,1028 -1.482,1031 19.396,1032 20.249,1034 0.44,1035 0.793,1036 0.883,1037 0.947,1038 0.973,1039 0.973,1040 4.376,1041 -0.788,1042 5.209,1043 -0.337,1044 3.807,1045 4.431,1046 2.67,1047 6.061,1048 3.797,1049 5.625,1050 -0.861,1051 6.812,1052 -2,1053 3.611,1054 4.494,1055 2.361,1056 7.05,1057 3.608,1058 6.966,1059 -1,1060 8.512,1061 -2.089,1062 5.451,1063 6.662,1064 4.193,1065 10.136,1066 5.429,1067 8.342,1068 -1.337,1069 10.263,1070 -2.523,1071 6.019,1072 7.474,1073 4.506,1074 11.915,1075 6.009,1076 9.745,1077 -1.659,1078 12.046,1079 -3.657,1080 7.41,1081 9.187,1082 5.955,1083 14.536,1084 7.387,1085 11.167,1086 -1.788,1087 13.85,1088 -5.39,1089 8.306,1090 10.316,1091 6.556,1092 16.651,1093 8.296,1094 12.605,1095 -1.938,1096 15.67,1097 -5.401,1098 9.534,1099 11.86,1100 7.796,1101 19.106,1102 9.518,1103 3.176,1104 -2,1105 17.501,1106 -6.362,1107 10.571,1108 13.133,1109 8.548,1110 21.365,1111 10.566,1112 2.656,1113 10.672,1114 19.343,1115 -6.884,1116 11.741,1117 14.607,1118 9.67,1119 23.76,1120 11.736,1121 2.04,1122 8.092,1123 21.193,1124 4.183,1125 12.839,1126 15.949,1127 10.509,1128 26.081,1129 12.843,1130 1.657,1131 6.226,1132 23.049,1133 3.68,1134 13.99,1135 17.393,1136 11.563,1137 28.456,1138 13.997,1139 1.217,1140 4.854,1141 24.912,1142 2.861,1143 15.115,1144 18.771,1145 12.452,1146 30.802,1147 15.13,1148 0.768,1149 2.888,1150 26.779,1151 2.162,1152 16.262,1153 20.201,1154 13.468,1155 33.17,1156 16.281,1157 -0.144,1158 1.911,1159 28.65,1160 1.978,1161 17.4,1162 21.599,1163 14.386,1164 35.528,1165 17.426,1166 1232,1167 2887,1168 9.364,1169 12.591,1170 23.395,1171 25.526,1172 24.654,1173 23.022,1174 23.03,1175 32.018,1176 7.342,1177 69.288,1178 22.974,1179 5.34,1180 5.891,1181 5.95,1182 5.18,1183 5.176,1184 7.183,1185 4.612,1186 17.556,1187 5.186,1188 8.094,1189 1.56,1190 1.702,1191 1.644,1192 1.535,1193 1.535,1194 2.135,1195 0.489,1196 4.619,1197 1.532,1198 4.046,1199 4.066,1200 4.02,1201 3.924,1202 7.815,1203 3.94,1204 3.662,1205 3.676,1206 3.657,1207 3.32,1208 7.499,1209 3.389,1210 3.247,1211 3.255,1212 3.204,1213 2.914,1214 7.352,1215 2.985,1216 2.884,1217 2.931,1218 2.8,1219 2.624,1220 6.999,1221 2.673,1222 2.51,1223 2.558,1224 2.418,1225 2.243,1226 4.669,1227 2.292,1228 2.444,1229 2.439,1230 2.37,1231 2.056,1232 3.855,1233 2.141,1234 1.856,1235 1.956,1236 1.603,1237 1.341,1238 3.609,1239 1.385,1240 1.37,1241 1.527,1242 1.331,1243 0.959,1244 2.915,1245 0.925,1246 0.302,1247 0.259,1248 0.445,1249 0.279,1250 0.212,1251 4.524,1252 0.279,1253 3.891,1254 0.174,1255 6.671,1256 0.711,1257 4.18,1258 0.212,1259 3.176,1260 4.183,1261 2.612,1262 10.672,1263 3.186,1264 1.904,1265 1.884,1266 1.978,1267 2.072,1268 1.094,1269 2.026,1270 1.367,1271 1.366,1272 1.428,1273 1.663,1274 0.349,1275 1.583,1276 1.208,1277 1.183,1278 1.236,1279 1.644,1280 0.195,1281 1.536,1282 0.817,1283 0.763,1284 1.07,1285 1.066,1286 0.021,1287 1.065,1288 0.541,1289 0.504,1290 0.742,1291 0.86,1293 0.85,1296 0.448,1297 0.405,1299 0.38,1302 0.071,1303 0.286,1305 0.226,1312 3.434,1314 4.779,1315 2.398,1316 6.315,1317 4.844,1318 7.934,1319 7.002,1320 9.598,1329 2.302,1340 13.429,1341 33.059,1342 59.549,1343 66.304,1344 71.059,1345 73.059,1346 73.059,1347 30.477,1348 5.727,1349 95.75,1350 95.75,1351 11,1352 11.943,1353 3.459,1354 3,1355 21.241,1356 30,1357 24,1358 0.394,1359 84.732,1360 152.66,1361 198.505,1362 1582,1364 10.293,1365 0.735,1366 0.487,1367 10.293,1368 6.812,1369 6.592,1370 0.439,1371 0.249,1372 3.647,1373 6.153,1374 3.621,1375 2.973,1376 6.592,1377 3.735,1378 6.313,1379 0.287,1380 0.126,1381 6.313,1382 2.77,1383 5.279,1384 0.182,1385 0.066,1386 5.279,1387 1.913,1388 3.958,1389 0.11,1390 0.035,1391 3.958,1392 1.244,1393 3.103,1394 0.072,1395 0.018,1396 3.103,1397 0.771,1398 0.569,1399 43.015,1400 0.327,1401 13.73,1402 1.22,1403 74,1404 344.92,1405 86.549,1406 322.33,1407 411.19,1408 292,1409 88,1410 289.891,1411 100.469,1412 284.29,1413 411.88,1414 265,1415 4}
{0 CHEMBL11833,1 1.558,2 7.842,3 1.598,4 2.553,5 71.021,6 7.09,7 0.286,8 3.727,9 3.841,10 3.259,11 3.183,12 4.76,13 3.18,14 4.318,15 4.499,16 3.637,17 3.603,18 5.359,19 3.577,20 4.549,21 4.743,22 3.666,23 3.772,24 5.476,25 3.705,26 4.642,27 4.871,28 3.571,29 3.73,30 5.597,31 3.636,32 4.463,33 4.703,34 3.324,35 3.573,36 5.382,37 3.454,38 4.322,39 4.573,40 3.025,41 3.313,42 5.281,43 3.16,44 3.994,45 4.281,46 2.797,47 2.898,48 4.809,49 2.79,50 3.669,51 3.85,52 2.617,53 2.598,54 4.809,55 2.597,56 0.034,57 0.532,58 8.363,59 3.396,60 5.186,61 4.575,62 0.395,63 0.855,64 16.859,65 5.555,66 31.303,67 7.831,68 0.253,69 1.014,70 21.287,71 7.705,72 26.135,73 10.576,74 0.541,75 1.018,76 24.74,77 7.893,78 44.551,79 11.207,80 0.258,81 0.874,82 20.172,83 6.858,84 29.242,85 9.899,86 0.458,87 0.686,88 18.265,89 5.802,90 38.632,91 8.407,92 0.164,93 0.474,94 13.246,95 3.911,96 17.332,97 5.946,98 0.392,99 0.34,100 9.909,101 2.088,102 29.486,103 2.725,104 13,105 30,106 0.287,107 0.627,108 0.829,109 0.883,110 0.883,111 0.883,112 3.011,113 0.936,114 -2.44,115 -2.47,116 -2.42,121 37.8,123 1,124 1,126 2,127 2,129 1,144 3,145 1,146 2,161 1,176 3,179 1,180 8,183 2,187 4,192 4,200 3,205 2,206 6,211 2,214 3,219 1,224 1,227 2,231 2,232 2,235 1,237 1,244 1,255 1,256 1,259 1,261 1,269 1,274 1,281 363,282 12.886,283 12.886,284 12.886,285 12.886,286 12.886,287 12.032,288 20.267,289 7.436,290 13.296,291 10.293,292 10.293,293 10.293,294 10.293,295 10.293,296 8.866,297 26.146,298 3.454,299 10.887,300 3.652,301 1.806,302 0.71,303 0.419,304 0.419,305 0.419,306 3.689,310 1,311 1,312 1,313 322,314 2.828,317 34.026,318 70.247,321 56.449,322 60.141,325 1.446,326 17.298,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 42,338 149,339 4.436,340 3.664,341 6.889,342 4.212,343 3.245,344 3.986,345 2.186,346 11.509,347 3.136,348 3.926,349 3.534,350 5.908,351 3.634,352 2.689,353 3.161,354 0.916,355 8.311,356 2.541,357 3.626,358 2.867,359 5.393,360 3.306,361 2.366,362 2.777,363 0.86,364 6.969,365 2.202,366 3.274,367 2.482,368 4.991,369 2.884,370 1.94,371 2.459,372 0.366,373 5.561,374 1.844,375 3.004,376 2.178,377 4.743,378 2.861,379 1.898,380 2.097,381 0.172,382 5.146,383 1.788,384 2.773,385 1.9,386 4.508,387 2.501,388 1.558,389 1.805,391 4.333,392 1.462,393 2.071,394 1.121,395 3.729,396 1.902,397 0.924,398 1.027,400 2.364,401 0.901,402 1.811,403 1.065,404 3.256,405 1.633,406 0.713,407 0.773,409 1.671,410 0.649,411 1.509,412 1.016,413 2.932,414 1.307,415 0.395,416 0.419,418 0.608,419 0.356,420 1.234,421 0.672,422 2.491,423 0.853,424 -0.113,425 -0.137,427 -0.248,428 -0.107,429 0.75,430 0.007,431 2.407,432 0.485,433 -0.463,434 -0.514,436 -1.212,437 -0.435,438 0.662,439 -0.207,440 2.241,441 0.35,442 -0.599,443 -0.697,445 -1.608,446 -0.556,447 0.403,448 -0.442,449 2,450 0.036,451 -0.946,452 -1.135,454 -2.494,455 -0.917,456 -0.023,457 -0.839,458 1.852,459 -0.199,460 -1.152,461 -1.381,463 -3.072,464 -1.096,465 -0.189,466 -0.985,467 1.481,468 -0.413,469 -1.38,470 -1.692,472 -3.33,473 -1.343,474 8.8,475 0.463,476 0.486,477 0.026,478 21.5,479 1.132,480 8.5,481 0.447,482 13,483 0.684,484 15.061,485 0.793,486 21.8,487 0.589,488 14.281,489 0.752,490 4.256,491 0.224,492 4.93,493 0.259,494 0.152,496 0.386,501 0.822,502 1.536,503 0.802,504 1.294,505 0.595,506 1.074,507 0.86,508 0.888,509 0.874,510 0.857,511 0.477,512 0.847,513 1.013,514 1.168,515 1.002,516 1.176,517 0.72,518 1.103,519 1.062,520 0.954,521 1.022,522 0.963,523 0.974,524 0.989,525 0.864,526 1.1,527 1.017,528 1.141,529 0.894,530 1.116,531 0.844,532 0.971,533 1.072,534 1.084,535 0.84,536 1.133,537 0.832,538 1.038,539 0.681,540 0.972,541 0.746,542 0.827,543 2.766,544 0.528,545 1.653,546 0.511,547 2.825,548 0.822,549 4,550 0.02,551 2.222,552 1.535,553 1.138,554 0.459,555 0.389,556 0.159,557 0.17,558 0.085,559 3110,560 7942,561 2.081,562 48.6,564 14,567 1,569 2,570 1,572 1.602,573 1.932,574 2.96,575 -0.249,577 1,578 1,579 1,582 57.633,583 1.558,584 3.404,585 4.5,586 4.79,587 4.79,588 4.79,589 2.55,590 4.037,591 4.216,592 3.098,593 529.707,594 7.18,595 5054.92,596 1,597 1,599 1,600 192.75,601 1.462,602 4.171,603 0.19,604 0.007,605 0.074,606 0.051,607 0.044,608 0.023,609 0.03,610 0.014,611 0.019,612 0.011,613 0.463,614 0.83,615 1,616 1.315,617 81.388,618 -0.04,619 -0.264,620 0.074,621 -0.136,622 -0.02,623 -0.025,624 0.125,625 0.267,626 0.078,627 0.164,628 0.196,629 0.128,630 -0.098,631 -0.123,632 -0.068,633 -0.119,634 0.001,635 -0.09,636 -0.006,637 -0.002,638 -0.041,639 0.019,640 -0.022,641 -0.016,642 -0.062,643 -0.129,644 -0.078,645 -0.137,646 -0.045,647 -0.113,648 0.157,649 -0.082,650 -0.09,651 -0.124,652 0.031,653 -0.16,654 0.075,655 -0.213,656 0.316,657 -0.052,658 0.058,659 0.147,660 -0.545,661 0.418,662 -0.48,663 0.291,664 -0.533,665 -0.045,666 2.133,667 4.202,668 0.684,669 13.501,670 1.007,671 1.134,672 1.207,673 1.456,674 0.634,675 3.091,676 3.434,677 3.738,678 4.043,679 4.263,680 4.344,681 4.533,682 4.663,683 4.654,684 4.5,685 4.75,686 0.605,687 262.34,688 3.091,689 4.635,690 5.501,691 6.399,692 7.287,693 8.192,694 9.089,695 9.998,696 10.901,697 11.811,698 5.4,701 1,705 1,715 3,720 3,722 6,737 1,739 1,741 37,743 7,744 1,745 21,747 39,748 14,749 6,750 3,751 3,756 3,757 6,767 2,768 1,770 2,772 7,773 7,774 1,777 1,782 1,786 1,789 1,790 1,793 18,794 5,795 1,796 5,802 2,808 0.333,809 3,825 1,828 1,829 2,832 1,833 1,855 1,859 1,864 2,868 19,876 3,877 1,878 2,880 2,881 1,893 8.1,896 1,898 2,901 9.833,902 7.117,903 4.194,904 2.214,907 1.327,908 1.195,909 0.948,910 3.372,911 8.142,912 3.258,913 3.773,914 4.252,915 4.774,916 5.261,917 5.473,918 5.809,919 6.077,920 6.153,921 6.015,922 1,923 30,924 7.034,926 2.988,927 0.026,929 7.728,931 13.602,933 11.391,936 2.228,937 42.333,938 0.001,941 200.109,942 74.889,943 21.135,945 47.145,948 74.889,949 247.253,950 21.135,951 16.793,952 27.243,953 28.429,954 25.145,955 38.797,956 6.763,957 200.109,959 200.109,960 96.024,961 47.145,964 164.795,965 82.458,968 30.368,969 65.656,972 200.109,973 68.28,974 74.889,977 200.109,978 29.668,979 48.346,980 18.011,981 47.145,982 200.109,983 68.28,984 74.889,986 0.584,987 0.349,988 0.189,989 0.102,990 16,991 7,992 0.051,993 2,994 2,995 1.308,996 3.111,997 143.959,998 0.308,999 13,1000 80.711,1005 12.758,1006 5.021,1007 2.303,1009 68.28,1010 5.63,1015 2.536,1017 18.011,1018 343.278,1019 25,1024 11.202,1028 -0.466,1031 37.254,1032 41.946,1034 0.299,1035 0.653,1036 0.864,1037 0.92,1038 0.92,1039 0.92,1040 4.527,1041 0.713,1042 5.501,1043 2.364,1044 4.111,1045 4.454,1046 2.527,1047 6.347,1048 4.007,1049 5.698,1050 0.395,1051 7.081,1052 1.671,1053 3.761,1054 4.27,1055 1.847,1056 7.326,1057 3.626,1058 6.997,1059 -0.113,1060 8.76,1061 0.608,1062 5.733,1063 6.493,1064 3.551,1065 10.454,1066 5.541,1067 8.326,1068 -0.463,1069 10.498,1070 -0.248,1071 6.196,1072 7.087,1073 3.603,1074 12.296,1075 5.978,1076 9.687,1077 -0.599,1078 12.276,1079 -1.212,1080 7.656,1081 8.846,1082 4.916,1083 14.961,1084 7.394,1085 11.069,1086 -0.946,1087 14.083,1088 -1.608,1089 8.5,1090 9.806,1091 5.291,1092 17.165,1093 8.212,1094 12.468,1095 -1.152,1096 15.913,1097 -2.494,1098 9.765,1099 11.378,1100 6.389,1101 19.678,1102 9.443,1103 3.245,1104 -1.38,1105 17.761,1106 -3.072,1107 10.788,1108 12.527,1109 6.93,1110 22.027,1111 10.438,1112 2.689,1113 11.509,1114 19.623,1115 -3.33,1116 11.983,1117 14.011,1118 7.902,1119 24.491,1120 11.602,1121 2.366,1122 8.311,1123 21.498,1124 3.986,1125 13.086,1126 15.262,1127 8.539,1128 26.897,1129 12.676,1130 1.94,1131 6.969,1132 23.383,1133 3.161,1134 14.258,1135 16.7,1136 9.436,1137 29.346,1138 13.818,1139 1.898,1140 5.561,1141 25.275,1142 2.777,1143 15.398,1144 18.008,1145 10.13,1146 31.773,1147 14.928,1148 1.558,1149 5.146,1150 27.174,1151 2.459,1152 16.566,1153 19.421,1154 10.981,1155 34.217,1156 16.065,1157 0.924,1158 4.333,1159 29.079,1160 2.097,1161 17.722,1162 20.761,1163 11.71,1164 36.654,1165 17.19,1166 3095,1167 5041,1168 13.929,1169 23.466,1170 31.517,1171 32.88,1172 33.268,1173 31.423,1174 31.456,1175 37.007,1176 9.003,1177 92.945,1178 29.759,1179 5.39,1180 5.664,1181 6.44,1182 5.305,1183 5.245,1184 6.986,1185 3.889,1186 18.794,1187 5.136,1188 9.188,1189 1.501,1190 1.566,1191 1.584,1192 1.496,1193 1.498,1194 1.762,1195 0.429,1196 4.426,1197 1.417,1198 4.039,1199 4.069,1200 3.979,1201 3.935,1202 7.435,1203 3.942,1204 3.731,1205 3.772,1206 3.644,1207 3.596,1208 4.894,1209 3.597,1210 3.516,1211 3.58,1212 3.424,1213 3.205,1214 4.494,1215 3.25,1216 3.278,1217 3.355,1218 3.113,1219 3.034,1220 4.252,1221 3.038,1222 3.061,1223 3.135,1224 2.877,1225 2.861,1226 4.191,1227 2.852,1228 2.983,1229 3.039,1230 2.78,1231 2.77,1232 3.938,1233 2.762,1234 2.837,1235 2.891,1236 2.667,1237 2.616,1238 3.676,1239 2.619,1240 2.699,1241 2.774,1242 2.502,1243 2.518,1244 3.403,1245 2.513,1246 0.211,1247 0.174,1248 0.328,1249 0.201,1250 0.155,1251 4.436,1252 0.19,1253 3.664,1254 0.104,1255 6.889,1256 0.548,1257 4.212,1258 0.149,1259 3.245,1260 3.986,1261 2.186,1262 11.509,1263 3.136,1264 1.937,1265 1.92,1266 2.036,1267 2.051,1268 1.359,1269 2.045,1270 1.603,1271 1.551,1272 1.842,1273 1.792,1274 1.123,1275 1.811,1276 1.493,1277 1.423,1278 1.721,1279 1.773,1280 0.888,1281 1.751,1282 1.383,1283 1.303,1284 1.678,1285 1.651,1286 0.68,1287 1.666,1288 1.02,1289 0.94,1290 1.411,1291 1.308,1292 0.565,1293 1.342,1294 0.938,1295 0.885,1296 1.203,1297 1.22,1298 0.392,1299 1.202,1300 0.802,1301 0.753,1302 1.05,1303 1.095,1304 0.154,1305 1.101,1306 0.696,1307 0.622,1308 1.018,1309 0.918,1310 0.084,1311 0.969,1312 3.761,1314 5.094,1315 2.398,1316 6.629,1317 4.727,1318 8.264,1319 6.823,1320 9.957,1322 3.685,1328 3.025,1329 2.427,1330 10.927,1332 1.001,1333 2.366,1340 22.402,1341 57.633,1342 125.937,1343 166.485,1344 177.24,1345 177.24,1346 177.24,1347 25.493,1348 6.815,1349 50.8,1350 50.8,1351 17,1352 12.328,1353 3,1354 2.322,1355 27.856,1356 55,1357 58,1358 0.268,1359 136.751,1360 240.59,1361 325.432,1362 7053,1364 13.405,1365 0.706,1366 0.588,1367 13.405,1368 11.18,1369 9.186,1370 0.437,1371 0.312,1372 6.419,1373 8.679,1374 6.236,1375 5.165,1376 9.186,1377 6.553,1378 8.322,1379 0.277,1380 0.171,1381 8.322,1382 5.124,1383 7.179,1384 0.175,1385 0.096,1386 7.179,1387 3.945,1388 6.036,1389 0.108,1390 0.053,1391 6.036,1392 2.995,1393 4.926,1394 0.07,1395 0.029,1396 4.926,1397 2.057,1398 0.406,1399 58.634,1400 0.268,1401 18.731,1402 0.771,1403 102,1404 313.185,1405 115.765,1406 289.238,1407 393.17,1408 272,1409 122,1410 287.885,1411 135.299,1412 286.523,1413 423.04,1414 268,1415 7.523}
{0 CHEMBL118752,1 1.314,2 5.071,3 2.334,4 5.447,5 57.137,6 7.087,7 0.688,8 3.37,9 3.498,10 2.92,11 3.004,12 4.406,13 2.96,14 3.896,15 4.063,16 3.291,17 3.424,18 4.842,19 3.354,20 4.142,21 4.369,22 3.301,23 3.472,24 5.072,25 3.377,26 4.041,27 4.275,28 3.097,29 3.32,30 5.054,31 3.215,32 3.944,33 4.207,34 2.593,35 3.138,36 4.79,37 2.952,38 3.714,39 4.034,40 1.955,41 2.768,42 4.295,43 2.494,44 3.208,45 3.581,46 0.746,47 2.028,48 3.611,49 1.636,50 2.091,51 2.539,52 0.055,53 0.77,54 2.197,55 0.441,56 0.032,57 0.379,58 5.551,59 2.34,60 5.318,61 3.241,62 0.04,63 0.624,64 9.861,65 4.277,66 5.978,67 5.99,68 0.087,69 0.785,70 13.602,71 5.122,72 12.097,73 7.412,74 0.141,75 0.726,76 12.501,77 4.211,78 19.783,79 6.144,80 0.103,81 0.612,82 11.598,83 4.214,84 16.599,85 6.127,86 0.053,87 0.432,88 9.623,89 4.008,90 9.634,91 5.827,92 0.034,93 0.239,94 6.073,95 2.449,96 6.023,97 3.627,98 0.015,99 0.064,100 2.048,101 0.742,102 2.265,103 1.143,104 2,105 23,106 0.259,107 0.658,108 0.761,109 0.852,110 0.867,111 0.867,112 2.739,113 0.941,114 -3.17,115 -3.16,116 -3.04,121 46.2,123 3,144 4,145 2,146 1,148 2,165 1,166 1,167 1,176 7,180 4,185 2,187 8,189 2,192 4,197 2,200 4,203 2,206 1,208 1,209 1,211 4,214 6,216 4,224 1,227 7,229 1,239 4,281 110,282 9.707,283 9.707,284 9.707,285 9.707,286 9.707,287 8.367,288 7.039,289 5.683,290 9.772,291 7.9,292 7.9,293 7.9,294 7.9,295 7.9,296 5.868,297 4.857,298 2.677,299 8.026,300 3.386,301 1.366,302 0.846,303 0.385,304 0.308,305 0.308,306 3.409,311 1,312 1,313 159,314 1.581,317 19.192,318 43.526,321 32.994,322 37.086,325 0.663,326 7.753,329 1,330 0.67,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.83,337 29,338 71,339 4.629,340 3.345,341 6.771,342 4.193,343 3.211,344 4.556,346 11.044,347 3.152,348 3.925,349 2.676,350 5.989,351 3.539,352 2.547,353 3.445,355 8.393,356 2.526,357 3.466,358 2.22,359 5.276,360 3.032,361 2.072,362 2.849,364 6.31,365 1.986,366 2.934,367 1.502,368 4.073,369 2.457,370 1.466,371 2.14,373 3.166,374 1.451,375 2.546,376 1.355,377 3.726,378 2.155,379 1.158,380 1.563,382 3.109,383 1.154,384 2.238,385 1.138,386 3.504,387 2.095,388 1.106,389 1.217,391 2.489,392 1.093,393 1.73,394 0.81,395 3.275,396 1.55,397 0.572,398 0.639,400 1.402,401 0.558,402 1.263,403 -0.004,404 2.778,405 0.841,406 -0.111,407 -0.146,409 -0.281,410 -0.105,411 0.723,412 -0.66,413 2.289,414 0.299,415 -0.684,416 -0.935,418 -1.718,419 -0.67,420 0.523,421 -0.865,422 2,423 0.075,424 -0.908,425 -1.237,427 -2.159,428 -0.891,429 0.003,430 -1.06,431 1.591,432 -0.306,433 -1.279,434 -1.558,436 -3.38,437 -1.243,438 -0.225,439 -1.371,440 1.429,441 -0.584,442 -1.569,443 -1.862,445 -4.301,446 -1.538,447 -0.437,448 -1.523,449 1.363,450 -0.647,451 -1.637,452 -2.093,454 -5.033,455 -1.625,456 -0.5,457 -1.804,458 1.107,459 -0.956,460 -1.946,461 -2.578,463 -5.677,464 -1.879,465 -0.5,466 -2,467 0.512,468 -1,469 -2,470 -3,472 -5.828,473 -1.97,474 6.8,475 0.486,476 0.312,477 0.022,478 19.25,479 1.375,480 10.5,481 0.75,482 8.75,483 0.625,484 8.662,485 0.619,486 14.2,487 0.546,488 9.966,489 0.712,490 3.526,491 0.252,492 3.334,493 0.238,494 0.059,496 0.368,501 1.065,502 0.965,503 0.839,504 0.846,505 1.16,506 0.828,507 0.674,508 1.149,509 0.826,510 1.025,511 0.606,512 0.954,513 1.068,514 1.194,515 0.911,516 1.014,517 0.875,518 0.961,519 1.649,520 1.05,521 1.196,522 1.01,523 1.543,524 1.054,525 1.519,526 0.975,527 1.388,528 1.149,529 1.658,530 1.237,531 0.411,532 0.859,533 0.992,534 1.07,535 0.608,536 1.078,537 0.226,538 0.77,539 0.841,540 0.958,541 0.343,542 0.953,549 2,551 1.778,552 1.063,553 0.978,554 0.167,555 0.024,559 1295,560 2648,561 2.2,562 46.2,563 4,564 4,567 2,568 2,572 1.515,573 2.1,574 2.442,575 0.408,579 1,582 34.172,583 1.314,584 3.335,585 3.854,586 4.316,587 4.393,588 4.393,589 1.577,590 3.236,591 3.789,592 2.418,593 220.044,594 6.34,595 1680.08,597 1,600 122.211,601 1.264,602 3.757,603 0.125,605 0.077,606 0.048,607 0.058,608 0.019,609 0.006,613 0.333,614 1,615 1,616 0.544,617 50.693,618 -0.121,619 0.131,620 0.038,621 0.124,622 -0.143,623 0.1,624 0.077,625 -0.14,626 0.068,627 -0.039,628 0.072,629 0.004,630 0.031,631 -0.195,632 0.047,633 -0.071,634 0.076,635 -0.022,636 -0.145,637 0.021,638 -0.218,639 -0.117,640 -0.09,641 -0.163,642 -0.395,643 0.001,644 -0.422,645 -0.217,646 -0.391,647 -0.302,648 0.068,649 -0.062,650 -0.009,651 -0.055,652 -0.018,653 -0.042,654 0.221,655 -0.046,656 0.19,657 0.064,658 0.162,659 0.114,660 0.574,661 0.644,662 1.157,663 1.045,664 0.584,665 1.131,666 0.719,667 2.13,668 0.929,669 5.449,670 0.985,671 1.118,672 1.937,673 3.751,674 0.685,675 2.833,676 3.178,677 3.526,678 3.829,679 4.007,680 4.06,681 4.111,682 4.127,683 3.951,684 3.584,685 3.226,686 0.641,687 184.26,688 2.833,689 4.369,690 5.252,691 6.151,692 7.048,693 7.953,694 8.854,695 9.76,696 10.662,697 11.568,698 7.7,702 1,708 1,714 2,715 4,716 1,720 3,722 11,733 1,741 26,743 11,744 1,745 16,747 28,748 12,749 9,750 2,751 4,756 3,757 6,767 3,770 3,772 9,773 3,790 1,793 12,794 2,795 2,796 2,802 2,808 0.333,822 1,828 1,829 2,832 1,833 1,859 1,868 14,869 1,876 3,901 6.667,902 4.617,903 3.028,904 1.683,907 2.408,908 1.387,909 1.07,910 1.586,911 8.627,912 3.114,913 3.795,914 4.483,915 5.129,916 5.721,917 6.044,918 6.39,919 6.706,920 6.927,921 6.588,922 0.5,923 22,924 5.175,925 0.002,926 2.248,927 0.026,929 7.488,931 10.228,932 0.001,933 8.875,936 1.988,937 27.833,938 0.011,941 117.711,942 58.925,943 49.683,948 58.925,949 117.711,950 49.683,952 7.604,953 70.802,954 16.786,955 13.416,957 117.711,959 117.711,960 108.607,964 117.711,968 12.504,969 79.317,970 16.786,972 117.711,973 49.683,974 58.925,977 117.711,978 21.02,979 37.905,981 49.683,982 117.711,983 49.683,984 58.925,986 0.586,987 0.364,988 0.21,989 0.105,990 14,991 5,994 2,995 1.308,996 2.65,997 97.608,998 0.308,999 13,1000 53.303,1005 7.952,1006 2.792,1007 1.08,1008 2.138,1009 49.683,1010 8.11,1011 4.637,1015 3.438,1017 32.897,1018 226.318,1019 21.5,1031 25.622,1032 29.073,1034 0.28,1035 0.709,1036 0.82,1037 0.918,1038 0.935,1039 0.935,1040 4.341,1041 -0.111,1042 5.242,1043 1.402,1044 3.85,1045 4.477,1047 6.103,1048 3.816,1049 5.569,1050 -0.684,1051 6.828,1052 -0.281,1053 3.434,1054 4.407,1056 7.091,1057 3.374,1058 6.903,1059 -0.908,1060 8.521,1061 -1.718,1062 5.476,1063 6.818,1065 10.248,1066 5.407,1067 8.284,1068 -1.279,1069 10.277,1070 -2.159,1071 5.943,1072 7.61,1074 12.07,1075 5.85,1076 9.699,1077 -1.569,1078 12.073,1079 -3.38,1080 7.43,1081 9.485,1083 14.736,1084 7.325,1085 11.139,1086 -1.637,1087 13.896,1088 -4.301,1089 8.288,1090 10.665,1092 16.882,1093 8.162,1094 12.598,1095 -1.946,1096 15.737,1097 -5.033,1098 9.565,1099 12.328,1101 19.383,1102 9.424,1103 3.211,1104 -2,1105 17.59,1106 -5.677,1107 10.596,1108 13.69,1110 21.668,1111 10.434,1112 2.547,1113 11.044,1114 19.454,1115 -5.828,1116 11.795,1117 15.265,1119 24.108,1120 11.617,1121 2.072,1122 8.393,1123 21.325,1124 4.556,1125 12.901,1126 16.71,1128 26.455,1129 12.702,1130 1.466,1131 6.31,1132 23.202,1133 3.445,1134 14.074,1135 18.249,1137 28.871,1138 13.857,1139 1.158,1140 3.166,1141 25.083,1142 2.849,1143 15.211,1144 19.733,1146 31.246,1147 14.974,1148 1.106,1149 3.109,1150 26.969,1151 2.14,1152 16.376,1153 21.257,1155 33.653,1156 16.121,1157 0.572,1158 2.489,1159 28.859,1160 1.563,1161 17.529,1162 22.759,1164 36.041,1165 17.253,1166 1269,1167 1874,1168 11.038,1169 17.818,1170 24.126,1171 24.553,1172 24.977,1173 24.305,1174 24.265,1175 32.818,1177 71.825,1178 23.841,1179 5.448,1180 5.345,1181 6.453,1182 5.236,1183 5.211,1184 7.556,1186 18.579,1187 5.152,1188 3.784,1189 1.508,1190 1.535,1191 1.561,1192 1.519,1193 1.517,1194 2.051,1196 4.489,1197 1.49,1198 4.111,1199 4.141,1200 4.072,1201 4.041,1202 5.146,1203 4.045,1204 3.714,1205 3.759,1206 3.608,1207 3.638,1208 4.782,1209 3.625,1210 3.23,1211 3.313,1212 3.099,1213 3.076,1214 4.398,1215 3.072,1216 3.039,1217 3.112,1218 2.938,1219 2.871,1220 3.918,1221 2.877,1222 2.745,1223 2.838,1224 2.535,1225 2.57,1226 3.649,1227 2.547,1228 2.657,1229 2.794,1230 2.382,1231 2.374,1232 3.252,1233 2.362,1234 2.458,1235 2.529,1236 2.299,1237 2.269,1238 3.049,1239 2.271,1240 1.927,1241 2.074,1242 1.678,1243 1.586,1244 2.758,1245 1.591,1246 0.289,1247 0.209,1248 0.423,1249 0.262,1250 0.201,1251 4.629,1252 0.285,1253 3.345,1255 6.771,1256 0.69,1257 4.193,1258 0.197,1259 3.211,1260 4.556,1262 11.044,1263 3.152,1264 2.034,1265 2.012,1266 2.103,1267 2.118,1268 1.251,1269 2.115,1270 1.563,1271 1.502,1272 1.832,1273 1.732,1274 1.169,1275 1.77,1276 1.509,1277 1.466,1278 1.664,1279 1.631,1280 0.854,1281 1.646,1282 1.016,1283 0.947,1284 1.28,1285 1.303,1286 0.314,1287 1.304,1288 0.855,1289 0.791,1290 1.137,1291 1.056,1292 0.199,1293 1.089,1294 0.644,1295 0.522,1296 0.99,1297 0.936,1299 0.967,1300 0.155,1301 0.01,1302 0.736,1303 0.528,1305 0.607,1306 0.075,1308 0.515,1309 0.383,1311 0.436,1312 3.497,1314 4.828,1315 2.398,1316 6.382,1317 4.595,1318 8.042,1319 6.605,1320 9.758,1326 6.13,1328 3.381,1340 16.677,1341 34.172,1342 86.702,1343 100.211,1344 112.211,1345 114.211,1346 114.211,1347 13.597,1348 6.219,1349 38.91,1350 38.91,1351 17,1352 12.087,1353 3.585,1354 2.7,1355 18.023,1356 30,1357 17,1358 0.354,1359 102.65,1360 166.08,1361 242.226,1362 3271,1364 9.544,1365 0.682,1366 0.568,1367 9.544,1368 7.955,1369 6.86,1370 0.429,1371 0.314,1372 4.996,1373 6.766,1374 4.887,1375 4.029,1376 6.86,1377 5.02,1378 6.158,1379 0.268,1380 0.166,1381 6.158,1382 3.821,1383 5.642,1384 0.171,1385 0.09,1386 5.642,1387 2.963,1388 4.978,1389 0.111,1390 0.05,1391 4.978,1392 2.248,1393 3.768,1394 0.07,1395 0.026,1396 3.768,1397 1.383,1398 0.503,1399 41.858,1400 0.301,1401 13.581,1402 1.139,1403 78,1404 166.957,1405 81.081,1406 171.4,1407 247.85,1408 162,1409 95,1410 194.662,1411 98.497,1412 200.394,1413 297.06,1414 191,1415 7.252}
{0 CHEMBL118883,1 1.607,2 4.667,3 1.157,4 1.338,5 43.735,6 8.483,7 0.462,8 3.078,9 3.17,10 2.747,11 2.687,12 4.333,13 2.69,14 3.556,15 3.682,16 3.135,17 3.051,18 4.857,19 3.048,20 3.716,21 3.843,22 3.123,23 3.043,24 5.303,25 3.027,26 3.647,27 3.87,28 2.656,29 2.781,30 4.865,31 2.701,32 3.259,33 3.47,34 2.265,35 2.225,36 4.654,37 2.194,38 2.749,39 2.945,40 1.259,41 1.517,42 4.167,43 1.461,44 2.003,45 2.278,46 0.306,47 0.67,48 3.219,49 0.573,56 0.044,57 0.259,58 2.797,59 1.625,60 6.41,61 1.778,62 0.114,63 0.409,64 5.452,65 2.769,66 17.721,67 3.277,68 0.245,69 0.453,70 6.814,71 3.171,72 44.976,73 3.583,74 0.179,75 0.41,76 8.491,77 3.202,78 29.453,79 4.056,80 0.156,81 0.252,82 6.092,83 2.088,84 31.193,85 2.46,86 0.168,87 0.148,88 3.721,89 0.899,90 30.204,91 0.692,92 0.092,93 0.053,94 2.33,95 0.522,96 19.737,97 0.572,104 10,105 19,106 0.346,107 0.73,108 0.807,109 0.861,110 0.861,111 0.861,112 2.603,113 0.841,114 -2.52,115 -2.55,116 -2.49,121 47.4,122 1,144 3,145 2,146 1,159 1,160 1,176 5,180 1,183 1,185 2,187 6,191 1,192 2,195 1,197 2,200 4,206 4,211 1,219 4,224 1,232 1,281 92,282 7.793,283 7.793,284 7.793,285 7.793,286 7.793,287 6.833,288 10.432,289 4.42,290 7.798,291 6.379,292 6.379,293 6.379,294 6.379,295 6.379,296 4.803,297 13.12,298 2.093,299 6.358,300 2.641,301 0.856,302 0.501,303 0.25,304 0.25,305 0.25,306 3.225,312 1,313 116,314 1.581,317 20.023,318 24.29,321 37.456,325 0.722,326 16.037,329 1,330 0.67,331 0.83,332 0.4,334 1,335 1,336 0.7,337 26.5,338 56,339 4.498,340 3.884,341 6.662,342 4.169,343 3.163,344 4.105,345 1.058,346 10.634,347 3.18,348 3.758,349 2.919,350 5.43,351 3.364,352 2.348,353 3.156,355 6.628,356 2.379,357 3.303,358 2.705,359 4.954,360 2.915,361 1.91,362 2.554,364 5.651,365 1.911,366 3.025,367 2.28,368 4.684,369 2.635,370 1.628,371 2.134,373 4.7,374 1.628,375 2.376,376 1.348,377 3.477,378 1.83,379 0.797,380 1.164,382 1.958,383 0.816,384 1.466,385 0.726,386 2.484,387 1.048,393 0.711,394 0.089,395 2.287,396 0.356,397 -0.667,398 -0.866,400 -1.632,401 -0.679,402 0.689,403 -0.286,404 2.253,405 0.227,406 -0.797,407 -1.119,409 -2.286,410 -0.809,411 0.2,412 -0.891,413 1.606,414 -0.185,415 -1.241,416 -1.645,418 -3.192,419 -1.274,420 -0.139,421 -1.154,422 1.271,423 -0.422,424 -1.45,425 -2,427 -3.924,428 -1.534,429 -0.5,430 -1.528,431 1.121,432 -0.787,433 -1.786,434 -2.201,436 -5.391,437 -1.751,438 -0.579,439 -1.812,440 1.076,441 -0.951,442 -1.906,443 -2.282,445 -6.275,446 -1.866,447 -0.809,448 -2,449 0.696,450 -1,451 -2,452 -3,453 -1.058,454 -6.872,455 -2,474 5.567,475 0.464,476 0.404,477 0.034,478 17,479 1.417,480 9.5,481 0.792,482 7.5,483 0.625,484 5.891,485 0.491,486 12.433,487 0.654,488 9.764,489 0.814,490 3.462,491 0.288,492 2.22,493 0.185,494 0.21,496 0.449,501 0.589,502 1.032,503 0.651,504 0.883,505 0.524,506 0.793,507 0.496,508 1.037,509 0.588,510 0.92,511 0.538,512 0.813,513 0.711,514 1.179,515 0.97,516 1.216,517 0.756,518 1.177,519 0.857,520 0.983,521 1.005,522 1.064,523 0.811,524 1.068,525 1.369,526 1.067,527 1.062,528 1.091,529 1.404,530 1.028,531 2.735,532 0.72,533 2.282,534 0.855,535 2.572,536 1.293,537 2.624,539 1.564,540 0.015,541 2.811,542 0.428,549 3,551 1.778,552 1.326,553 0.568,554 0.278,559 736,560 2531,561 1.991,562 36.8,563 3,564 3,567 1,572 1.463,573 1.8,574 2.334,575 -0.164,582 30.53,583 1.607,584 3.392,585 3.747,586 3.998,587 3.998,588 3.998,589 1.784,590 3.189,591 3.562,592 2.301,593 151.898,594 5.88,595 1046.68,600 80.711,601 1.555,602 3.478,603 0.231,605 0.094,606 0.078,607 0.057,608 0.046,613 0.506,614 1,615 1,616 0.799,617 40.491,618 -0.059,619 0.03,620 0.007,621 0.056,622 -0.059,623 0.055,624 0.129,625 -0.03,626 0.184,627 0.032,628 0.043,629 0.096,630 0.215,631 -0.217,632 -0.125,633 -0.289,634 0.17,635 -0.299,636 -0.043,637 -0.085,638 0.035,639 -0.094,640 -0.011,641 -0.023,642 -0.15,643 -0.233,644 0.082,645 -0.128,646 -0.113,647 -0.001,648 -0.887,649 0.263,650 -1.094,651 -0.012,652 -0.689,653 -0.46,654 -0.672,655 0.741,656 -0.005,657 1.002,658 -0.688,659 0.737,666 2.199,667 4.137,668 0.75,669 4.444,670 1.021,671 1.114,672 1.291,673 1.667,674 0.695,675 2.639,676 2.996,677 3.258,678 3.497,679 3.638,680 3.466,681 3.367,682 3.219,683 2.079,684 0.693,685 2.985,686 0.686,687 161.17,688 2.639,689 4.174,690 5.03,691 5.922,692 6.801,693 7.694,694 8.58,695 9.472,696 10.361,697 11.253,698 5.3,705 1,715 3,720 3,722 6,727 1,741 19,743 8,744 1,745 13,747 20,748 9,749 6,750 3,751 3,752 2,756 2,757 3,763 1,772 8,773 1,777 2,782 2,786 2,793 7,794 3,795 1,796 3,802 1,808 0.5,809 2,828 1,829 1,832 1,843 1,859 1,864 1,868 12,877 1,893 10.5,896 2,901 6.667,902 3.833,903 2.583,904 1.09,907 1.53,908 1.281,909 0.989,910 1.354,911 6.969,912 2.944,913 3.541,914 4.099,915 4.594,916 5.09,917 5.123,918 5.272,919 5.316,920 4.467,921 3.446,922 1,923 17,924 4.425,925 0.006,926 1.943,927 0.026,929 8.236,931 8.09,932 0.002,933 6.604,934 -0.002,936 2.736,937 32.833,938 0.006,941 70.627,942 56.22,943 18.011,945 50.29,948 56.22,949 120.916,950 18.011,951 8.825,952 18.011,953 28.429,954 60.128,955 9.128,957 70.627,959 70.627,960 74.231,961 50.29,964 70.627,965 50.29,968 26.836,969 47.395,972 70.627,973 68.301,974 56.22,977 70.627,978 18.966,979 37.254,980 18.011,981 50.29,982 70.627,983 68.301,984 56.22,986 0.6,987 0.356,988 0.185,989 0.103,990 11,991 5,994 1,995 1.222,996 2.34,997 72.835,998 0.222,999 9,1000 43.02,1005 7.196,1006 2.258,1007 0.99,1009 68.301,1010 5.32,1015 2.092,1017 18.011,1018 195.147,1019 18,1024 22.018,1028 -0.968,1031 19.407,1032 21.163,1034 0.378,1035 0.798,1036 0.882,1037 0.941,1038 0.941,1039 0.941,1040 4.182,1041 -0.797,1042 5.056,1043 -1.632,1044 3.664,1045 4.22,1046 1.176,1047 5.9,1048 3.673,1049 5.417,1050 -1.241,1051 6.648,1052 -2.286,1053 3.434,1054 4.182,1056 6.855,1057 3.468,1058 6.746,1059 -1.45,1060 8.336,1061 -3.192,1062 5.293,1063 6.407,1064 1.255,1065 9.964,1066 5.311,1067 8.108,1068 -1.786,1069 10.078,1070 -3.924,1071 5.832,1072 7.116,1074 11.743,1075 5.876,1076 9.5,1077 -1.906,1078 11.854,1079 -5.391,1080 7.241,1081 8.884,1082 1.338,1083 14.386,1084 7.271,1085 10.914,1086 -2,1087 13.655,1088 -6.275,1089 8.128,1090 9.94,1092 16.518,1093 8.179,1094 12.345,1096 15.474,1097 -6.872,1098 9.37,1099 11.521,1100 1.422,1101 18.99,1102 9.413,1103 3.163,1105 17.309,1107 10.41,1108 12.749,1110 21.264,1111 10.468,1112 2.348,1113 10.634,1114 19.156,1116 11.591,1117 14.245,1118 1.51,1119 23.67,1120 11.647,1121 1.91,1122 6.628,1123 21.013,1124 4.105,1125 12.696,1126 15.56,1128 25.999,1129 12.761,1130 1.628,1131 5.651,1132 22.878,1133 3.156,1134 13.855,1135 17.015,1136 1.599,1137 28.38,1138 13.923,1139 0.797,1140 4.7,1141 24.75,1142 2.554,1143 14.987,1144 18.375,1146 30.731,1147 15.061,1149 1.958,1150 26.626,1151 2.134,1152 16.14,1153 19.809,1154 1.69,1155 33.101,1156 16.218,1157 -0.667,1159 28.507,1160 1.164,1161 17.283,1162 21.193,1164 35.46,1165 17.367,1166 804,1167 1553,1168 8.266,1169 13.199,1170 20.24,1171 21.928,1172 21.182,1173 19.738,1174 19.694,1175 26.226,1176 2.117,1177 59.142,1178 19.827,1179 5.308,1180 5.884,1181 5.966,1182 5.169,1183 5.163,1184 7.105,1185 2.117,1186 17.506,1187 5.18,1188 6.1,1189 1.557,1190 1.687,1191 1.629,1192 1.518,1193 1.515,1194 2.017,1195 0.163,1196 4.549,1197 1.525,1198 4.012,1199 4.032,1200 3.976,1201 3.927,1202 7.499,1203 3.934,1204 3.505,1205 3.532,1206 3.441,1207 3.321,1208 7.352,1209 3.348,1210 3.065,1211 3.127,1212 2.914,1213 2.904,1214 4.717,1215 2.895,1216 2.836,1217 2.896,1218 2.721,1219 2.61,1220 4.017,1221 2.621,1222 2.505,1223 2.557,1224 2.384,1225 2.224,1226 3.632,1227 2.238,1228 2.389,1229 2.416,1230 2.206,1231 2.048,1232 3.437,1233 2.108,1234 1.85,1235 1.955,1236 1.575,1237 1.34,1238 2.745,1239 1.379,1240 1.37,1241 1.527,1242 0.882,1243 0.959,1244 2.198,1245 0.925,1246 0.346,1247 0.299,1248 0.512,1249 0.321,1250 0.243,1251 4.498,1252 0.316,1253 3.884,1254 0.081,1255 6.662,1256 0.818,1257 4.169,1258 0.245,1259 3.163,1260 4.105,1261 1.058,1262 10.634,1263 3.18,1264 1.905,1265 1.883,1266 2.013,1267 1.983,1268 1.143,1269 1.994,1270 1.367,1271 1.365,1272 1.524,1273 1.651,1274 0.61,1275 1.579,1276 1.22,1277 1.15,1278 1.422,1279 1.431,1280 0.345,1281 1.462,1282 0.819,1283 0.759,1284 1.075,1285 1.052,1286 0.083,1287 1.065,1288 0.558,1289 0.47,1290 0.874,1291 0.831,1293 0.854,1296 0.454,1297 0.404,1299 0.382,1302 0.071,1303 0.285,1305 0.226,1312 3.296,1314 4.635,1315 2.398,1316 6.168,1317 4.844,1318 7.786,1319 7.002,1320 9.451,1322 1.885,1329 2.486,1340 13.031,1341 30.53,1342 64.446,1343 71.201,1344 75.956,1345 75.956,1346 75.956,1347 17.79,1348 5.438,1349 49.93,1350 49.93,1351 11,1352 11.781,1353 3.17,1354 2.585,1355 17,1356 22,1357 18,1358 0.443,1359 82.465,1360 144.02,1361 192.973,1362 1086,1364 8.715,1365 0.726,1366 0.546,1367 8.715,1368 6.549,1369 5.682,1370 0.437,1371 0.28,1372 3.602,1373 5.491,1374 3.481,1375 2.904,1376 5.682,1377 3.646,1378 5.414,1379 0.285,1380 0.149,1381 5.414,1382 2.832,1383 4.558,1384 0.182,1385 0.075,1386 4.558,1387 1.874,1388 3.538,1389 0.111,1390 0.039,1391 3.538,1392 1.256,1393 2.859,1394 0.077,1395 0.022,1396 2.859,1397 0.813,1398 0.619,1399 35.652,1400 0.348,1401 11.632,1402 1.442,1403 64,1404 221.804,1405 70.372,1406 213.039,1407 281.17,1408 196,1409 76,1410 198.526,1411 82.649,1412 201.997,1413 296,1414 189,1415 4}
{0 CHEMBL118968,1 1.253,2 6.471,3 3.702,4 13.708,5 70.94,6 6.467,7 0.579,8 3.631,9 3.768,10 3.093,11 3.236,12 4.582,13 3.173,14 4.193,15 4.382,16 3.431,17 3.656,18 5.04,19 3.555,20 4.531,21 4.779,22 3.59,23 3.84,24 5.34,25 3.721,26 4.59,27 4.844,28 3.483,29 3.824,30 5.436,31 3.678,32 4.541,33 4.827,34 3.166,35 3.671,36 5.312,37 3.483,38 4.317,39 4.622,40 2.776,41 3.417,42 5.004,43 3.191,44 4.042,45 4.362,46 2.29,47 3.095,48 4.631,49 2.823,50 3.629,51 3.987,52 1.538,53 2.546,54 4.094,55 2.211,56 0.044,57 0.5,58 8.204,59 3.424,60 6.315,61 4.909,62 0.067,63 0.831,64 14.574,65 6.158,66 8.593,67 8.858,68 0.126,69 1.116,70 20.865,71 8.062,72 16.183,73 11.913,74 0.19,75 1.185,76 22.395,77 8.101,78 24.106,79 12.136,80 0.174,81 1.074,82 21.404,83 7.556,84 22.78,85 11.443,86 0.117,87 0.816,88 16.922,89 6.528,90 16.971,91 9.665,92 0.07,93 0.587,94 12.682,95 5.279,96 11.286,97 7.683,98 0.043,99 0.359,100 8.33,101 3.501,102 7.025,103 5.105,104 2,105 26,106 0.232,107 0.573,108 0.695,109 0.811,110 0.853,111 0.874,112 2.911,113 1.03,114 -3.96,115 -3.91,116 -3.71,121 42.9,123 6,144 4,145 2,146 1,148 2,165 1,166 1,167 1,176 10,180 4,185 2,187 11,189 2,192 4,197 2,200 10,203 2,206 3,208 1,209 1,211 4,214 9,216 4,219 1,224 3,227 9,229 3,237 1,239 9,241 1,251 6,264 2,281 226,282 11.828,283 11.828,284 11.828,285 11.828,286 11.828,287 10.488,288 7.039,289 7.183,290 11.893,291 9.4,292 9.4,293 9.4,294 9.4,295 9.4,296 7.368,297 3.386,298 3.424,299 9.526,300 3.876,301 2.029,302 1.371,303 0.743,304 0.514,305 0.4,306 3.595,311 1,312 1,313 241,314 1.581,318 50.849,320 36.506,322 43.192,324 52.269,325 0.969,326 8.656,328 1,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 35,338 110,339 4.624,340 3.327,341 6.768,342 4.181,343 3.2,344 4.554,346 11.034,347 3.14,348 3.905,349 2.651,350 5.98,351 3.513,352 2.52,353 3.428,355 8.362,356 2.5,357 3.476,358 2.269,359 5.281,360 3.064,361 2.102,362 2.854,364 6.338,365 2.021,366 2.937,367 1.74,368 4.157,369 2.721,370 1.725,371 2.138,373 3.574,374 1.717,375 2.737,376 1.61,377 3.833,378 2.456,379 1.458,380 1.746,382 3.542,383 1.455,384 2.647,385 1.433,386 3.681,387 2.405,388 1.414,389 1.682,391 3.059,392 1.4,393 2.236,394 1.008,395 3.495,396 1.937,397 0.952,398 1.19,400 2.242,401 0.937,402 1.561,403 0.563,404 3,405 1.375,406 0.399,407 0.44,409 0.934,410 0.388,411 1.282,412 0.275,413 2.685,414 1.123,415 0.133,416 0.143,418 0.308,419 0.131,420 1.101,421 -0.119,422 2.555,423 0.767,424 -0.196,425 -0.251,427 -0.479,428 -0.189,429 0.643,430 -0.692,431 2.09,432 0.259,433 -0.727,434 -0.95,436 -1.769,437 -0.715,438 0.477,439 -0.876,440 2,441 0.07,442 -0.914,443 -1.212,445 -2.143,446 -0.898,447 0.003,448 -1.046,449 1.537,450 -0.249,451 -1.23,452 -1.409,454 -2.985,455 -1.204,456 -0.22,457 -1.301,458 1.35,459 -0.42,460 -1.414,461 -1.678,463 -3.451,464 -1.405,465 -0.295,466 -1.45,467 1.305,468 -0.594,469 -1.573,470 -1.931,472 -4.336,473 -1.542,474 8.3,475 0.488,476 0.312,477 0.018,478 20.75,479 1.221,480 10.5,481 0.618,482 10.25,483 0.603,484 13.694,485 0.806,486 18.1,487 0.517,488 11.235,489 0.661,490 3.526,491 0.207,492 4.834,493 0.284,494 0.048,496 0.301,501 1.071,502 1.067,503 0.946,504 0.977,505 1.125,506 0.957,507 0.703,508 1.215,509 0.945,510 1.122,511 0.597,512 1.063,513 0.932,514 1.069,515 0.848,516 0.935,517 0.751,518 0.894,519 1.349,520 1.123,521 1.126,522 1.079,523 1.206,524 1.086,525 1.582,526 0.98,527 1.182,528 1.005,529 1.561,530 1.055,531 1.08,532 0.891,533 1.088,534 0.997,535 1.294,536 1.035,537 0.575,538 0.899,539 1.012,540 1.049,541 0.805,542 1.059,543 0.267,544 0.8,545 0.833,546 0.934,547 0.425,548 0.925,549 2,551 1.778,552 1.313,553 1.138,554 0.396,555 0.12,556 0.049,559 2213,560 4002,561 2.163,562 51.4,563 10,564 4,567 2,568 2,572 1.576,573 2.082,574 2.731,575 0.295,577 1,579 1,582 43.863,583 1.253,584 3.1,585 3.758,586 4.386,587 4.615,588 4.729,589 1.993,590 3.617,591 4.066,592 2.74,593 372.619,594 6.901,595 3243.44,596 1,597 1,599 1,600 179.525,601 1.166,602 4.043,603 0.105,605 0.068,606 0.044,607 0.046,608 0.023,609 0.011,610 0.008,613 0.305,614 1,615 1,616 0.481,617 67.956,618 -0.076,619 0.1,620 0.043,621 0.094,622 -0.054,623 0.08,624 0.078,625 -0.156,626 0.021,627 -0.074,628 0.11,629 -0.038,630 0.093,631 -0.059,632 0.134,633 0.052,634 0.143,635 0.088,636 -0.024,637 -0.087,638 -0.131,639 -0.132,640 0.025,641 -0.137,642 -0.257,643 0.013,644 -0.192,645 -0.082,646 -0.239,647 -0.123,648 -0.156,649 0.029,650 -0.127,651 -0.048,652 -0.219,653 -0.078,654 -0.021,655 -0.051,656 -0.079,657 -0.078,658 -0.101,659 -0.082,660 0.134,661 -0.031,662 0.089,663 0.023,664 0.049,665 0.047,666 0.701,667 2.32,668 0.941,669 8.512,670 0.979,671 1.123,672 2.728,673 7.443,674 0.66,675 2.996,676 3.296,677 3.611,678 3.892,679 4.143,680 4.234,681 4.331,682 4.304,683 4.331,684 4.19,685 3.869,686 0.607,687 226.35,688 2.996,689 4.511,690 5.371,691 6.248,692 7.128,693 8.017,694 8.906,695 9.799,696 10.691,697 11.587,698 5.7,702 1,708 1,714 2,715 4,716 1,720 3,722 11,733 1,741 35,743 11,744 1,745 19,747 37,748 15,749 9,750 2,751 4,756 3,757 6,767 6,770 6,772 9,773 6,790 1,793 18,794 2,795 2,796 2,802 2,808 0.333,822 1,829 2,831 1,833 1,835 1,859 1,868 17,869 1,876 6,901 8.167,902 6.117,903 3.778,904 2.433,907 2.416,908 1.364,909 1.026,910 2.816,911 9.054,912 3.239,913 3.861,914 4.516,915 5.147,916 5.755,917 6.082,918 6.431,919 6.739,920 7.029,921 6.785,922 0.6,923 30,924 6.314,926 2.681,927 0.026,929 7.402,931 12.678,933 10.875,936 1.902,937 32.333,938 0.006,941 188.338,942 66.528,943 49.683,948 66.528,949 188.338,950 49.683,952 15.207,953 70.802,954 16.786,955 13.416,957 188.338,959 188.338,960 116.211,964 188.338,968 20.108,969 79.317,970 16.786,972 188.338,973 49.683,974 66.528,977 188.338,978 28.623,979 37.905,981 49.683,982 188.338,983 49.683,984 66.528,986 0.57,987 0.345,988 0.2,989 0.112,990 14,991 5,994 2,995 1.25,996 2.922,997 125.225,998 0.25,999 16,1000 69.487,1005 10.733,1006 4.461,1007 1.935,1008 2.163,1009 49.683,1010 8.21,1011 4.798,1015 3.511,1017 32.897,1018 304.549,1019 24.5,1031 34.272,1032 39.318,1034 0.244,1035 0.604,1036 0.733,1037 0.855,1038 0.9,1039 0.922,1040 4.451,1041 0.399,1042 5.333,1043 2.242,1044 3.97,1045 4.543,1047 6.155,1048 3.94,1049 5.646,1050 0.133,1051 6.891,1052 0.934,1053 3.434,1054 4.407,1056 7.091,1057 3.374,1058 6.959,1059 -0.196,1060 8.562,1061 0.308,1062 5.549,1063 6.838,1065 10.258,1066 5.485,1067 8.319,1068 -0.727,1069 10.302,1070 -0.479,1071 5.916,1072 7.603,1074 12.062,1075 5.821,1076 9.719,1077 -0.914,1078 12.088,1079 -1.769,1080 7.451,1081 9.485,1083 14.732,1084 7.35,1085 11.148,1086 -1.23,1087 13.903,1088 -2.143,1089 8.252,1090 10.658,1092 16.873,1093 8.123,1094 12.598,1095 -1.414,1096 15.739,1097 -2.985,1098 9.553,1099 12.323,1101 19.375,1102 9.413,1103 3.2,1104 -1.573,1105 17.589,1106 -3.451,1107 10.556,1108 13.682,1110 21.658,1111 10.39,1112 2.52,1113 11.034,1114 19.45,1115 -4.336,1116 11.764,1117 15.258,1119 24.098,1120 11.584,1121 2.102,1122 8.362,1123 21.32,1124 4.554,1125 12.856,1126 16.703,1128 26.443,1129 12.653,1130 1.725,1131 6.338,1132 23.195,1133 3.428,1134 14.031,1135 18.242,1137 28.859,1138 13.812,1139 1.458,1140 3.574,1141 25.076,1142 2.854,1143 15.162,1144 19.725,1146 31.233,1147 14.92,1148 1.414,1149 3.542,1150 26.961,1151 2.138,1152 16.326,1153 21.249,1155 33.64,1156 16.067,1157 0.952,1158 3.059,1159 28.85,1160 1.746,1161 17.473,1162 22.75,1164 36.027,1165 17.194,1166 2150,1167 2973,1168 13.118,1169 23.103,1170 27.613,1171 28.086,1172 28.598,1173 27.837,1174 27.805,1175 36.348,1177 78.784,1178 27.38,1179 5.585,1180 5.327,1181 6.593,1182 5.222,1183 5.2,1184 7.554,1186 18.566,1187 5.14,1188 4.397,1189 1.453,1190 1.478,1191 1.505,1192 1.465,1193 1.463,1194 1.913,1196 4.147,1197 1.441,1198 4.099,1199 4.129,1200 4.06,1201 4.029,1202 5.143,1203 4.033,1204 3.762,1205 3.816,1206 3.631,1207 3.67,1208 4.78,1209 3.654,1210 3.436,1211 3.495,1212 3.314,1213 3.327,1214 4.381,1215 3.317,1216 3.384,1217 3.459,1218 3.209,1219 3.241,1220 4.078,1221 3.222,1222 3.063,1223 3.16,1224 2.923,1225 2.88,1226 3.79,1227 2.879,1228 2.887,1229 2.963,1230 2.73,1231 2.748,1232 3.67,1233 2.736,1234 2.692,1235 2.801,1236 2.487,1237 2.405,1238 3.463,1239 2.413,1240 2.429,1241 2.567,1242 2.113,1243 2.167,1244 3.09,1245 2.135,1246 0.243,1247 0.175,1248 0.356,1249 0.22,1250 0.168,1251 4.624,1252 0.24,1253 3.327,1255 6.768,1256 0.581,1257 4.181,1258 0.165,1259 3.2,1260 4.554,1262 11.034,1263 3.14,1264 2.061,1265 2.036,1266 2.15,1267 2.151,1268 1.441,1269 2.152,1270 1.783,1271 1.733,1272 1.991,1273 1.913,1274 1.192,1275 1.944,1276 1.444,1277 1.391,1278 1.715,1279 1.612,1280 1.043,1281 1.65,1282 1.406,1283 1.337,1284 1.626,1285 1.576,1286 0.846,1287 1.598,1288 1.031,1289 0.958,1290 1.313,1291 1.313,1292 0.384,1293 1.321,1294 0.895,1295 0.828,1296 1.16,1297 1.095,1298 0.241,1299 1.122,1300 0.655,1301 0.538,1302 1.021,1303 0.962,1304 0.194,1305 0.994,1306 0.475,1307 0.338,1308 0.979,1309 0.803,1310 0.006,1311 0.874,1312 3.664,1314 4.963,1316 6.479,1318 8.112,1320 9.811,1326 6.32,1328 7.331,1340 21.257,1341 43.863,1342 108.505,1343 131.525,1344 153.525,1345 161.525,1346 165.525,1347 19.55,1348 6.637,1349 38.91,1350 38.91,1351 20,1352 12.112,1353 3.585,1354 2.7,1355 23.527,1356 42,1357 28,1358 0.309,1359 131.427,1360 217.98,1361 312.442,1362 6023,1364 11.665,1365 0.686,1366 0.593,1367 11.665,1368 10.077,1369 8.36,1370 0.44,1371 0.343,1372 6.496,1373 8.266,1374 6.358,1375 5.279,1376 8.36,1377 6.52,1378 7.219,1379 0.278,1380 0.188,1381 7.219,1382 4.882,1383 6.392,1384 0.178,1385 0.103,1386 6.392,1387 3.713,1388 5.502,1389 0.115,1390 0.058,1391 5.502,1392 2.763,1393 4.548,1394 0.073,1395 0.033,1396 4.548,1397 2.032,1398 0.45,1399 50.858,1400 0.276,1401 16.565,1402 0.953,1403 90,1404 178.957,1405 93.081,1406 183.885,1407 265.13,1408 174,1409 107,1410 206.662,1411 110.497,1412 212.879,1413 314.34,1414 203,1415 5.041}
{0 CHEMBL1190,1 1.068,2 10.667,3 1.129,4 1.274,5 80.72,6 4.617,8 4.009,9 4.193,10 3.115,11 3.383,12 4.698,13 3.261,14 4.664,15 4.957,16 3.357,17 3.812,18 5.196,19 3.646,20 4.976,21 5.266,22 3.228,23 4.073,24 5.53,25 3.798,26 5.207,27 5.598,28 3.066,29 4.007,30 5.553,31 3.665,32 4.839,33 5.189,34 2.982,35 3.785,36 5.256,37 3.496,38 4.771,39 5.122,40 2.91,41 3.712,42 5.19,43 3.423,44 4.698,45 5.05,46 2.833,47 3.633,48 5.119,49 3.343,50 4.619,51 4.972,52 2.749,53 3.548,54 5.043,55 3.258,56 0.094,57 0.698,58 14.287,59 4.955,60 6.5,61 7.819,62 0.186,63 1.068,64 22.89,65 7.915,66 10.704,67 12.412,68 0.149,69 1.321,70 28.194,71 11.67,72 15.122,73 17.116,74 0.166,75 1.23,76 28.177,77 11.226,78 12.684,79 16.693,80 0.127,81 0.989,82 21.827,83 8.717,84 9.694,85 12.952,86 0.12,87 0.919,88 20.348,89 8.069,90 9.184,91 12.022,92 0.114,93 0.849,94 18.868,95 7.421,96 8.673,97 11.091,98 0.107,99 0.78,100 17.389,101 6.773,102 8.163,103 10.16,104 60,105 22,106 0.185,107 0.254,108 0.436,109 0.493,110 0.539,111 0.564,112 2.954,113 1.448,114 2.51,115 2.23,116 1.79,121 28.6,123 8,126 6,127 2,176 7,187 6,189 2,200 5,203 2,214 4,216 2,227 3,229 2,239 2,241 2,251 1,253 2,266 2,279 2,281 416,282 10.828,283 10.828,284 10.828,285 10.828,286 10.828,287 10.828,288 10.465,289 6.817,290 11.092,291 8.439,292 8.439,293 8.439,294 8.439,295 8.439,296 8.439,297 12.887,298 3.327,299 8.901,300 4.74,301 4.338,302 3.287,303 2.957,304 2.689,305 2.546,306 3.556,312 1,313 354,314 4.69,325 1.926,326 3.425,329 1,330 0.67,331 0.83,332 0.3,333 1,334 0.83,335 0.5,336 0.73,337 37,338 192,339 4.098,340 3.484,341 6.394,342 4.003,343 3.098,344 3.098,345 1.2,346 9.951,347 2.802,348 4.098,349 3.484,350 6.394,351 4.002,352 3.098,353 3.098,354 1.2,355 9.951,356 2.802,357 2.903,358 1.908,359 3.921,360 2.902,361 1.903,362 1.903,364 3.821,365 1.901,366 2.633,367 1.648,368 3.71,369 2.629,370 1.633,371 1.633,373 3.312,374 1.626,375 2.231,376 1.26,377 3.43,378 2.224,379 1.231,380 1.231,382 2.534,383 1.222,384 1.74,385 0.79,386 3.117,387 1.73,388 0.74,389 0.74,391 1.556,392 0.732,393 1.204,394 0.282,395 2.737,396 1.189,397 0.204,398 0.204,400 0.44,401 0.201,402 0.663,403 -0.226,404 2.264,405 0.641,406 -0.337,407 -0.337,409 -0.745,410 -0.328,411 0.155,412 -0.6,413 2,414 0.126,415 -0.845,416 -0.845,418 -1.906,419 -0.815,421 -0.6,422 2,423 -0.1,424 -1,425 -1,427 -2.935,428 -0.9,430 -0.6,431 2,432 -0.1,433 -1,434 -1,436 -3,437 -0.9,439 -0.6,440 2,441 -0.1,442 -1,443 -1,444 -0.4,445 -3,446 -0.9,448 -0.703,449 1.728,450 -0.1,451 -1,452 -1,453 -0.4,454 -3,455 -0.9,456 -0.283,457 -1.13,458 1.19,459 -0.319,460 -1.283,461 -1.283,462 -0.4,463 -3,464 -1.231,465 -0.624,466 -1.49,467 0.707,468 -0.663,469 -1.624,470 -1.624,471 -0.4,472 -3.696,473 -1.561,474 8.8,475 0.489,476 0.707,477 0.039,478 10.5,479 0.583,482 10.5,483 0.583,484 21.992,485 1.222,486 24.8,487 0.443,488 5.259,489 0.292,490 1.562,491 0.087,492 6.645,493 0.369,494 0.341,495 0.091,501 1.437,502 2.201,503 1.498,504 1.815,505 1.906,506 1.685,507 2.679,508 0.907,509 1.332,510 0.907,511 0.634,512 1.019,513 0.889,514 1.512,515 1.459,516 1.583,517 1.761,518 1.559,519 0.524,520 0.713,521 0.692,522 0.731,523 0.562,524 0.723,525 0.745,526 0.978,527 0.951,528 1,529 0.792,530 0.99,531 0.773,532 0.977,533 0.951,534 0.994,535 0.815,536 0.985,537 0.805,538 0.975,539 0.951,540 0.987,541 0.841,542 0.979,543 0.843,544 0.972,545 0.95,546 0.979,547 0.871,548 0.972,549 5.5,550 0.083,551 1.111,552 0.625,553 0.4,554 0.278,555 0.204,556 0.156,557 0.123,558 0.1,559 2937,560 2937,561 1.714,562 67.9,563 12,564 22,569 4,572 1.571,573 1.565,574 3.336,575 -0.873,582 59.791,583 1.068,584 1.469,585 2.52,586 2.85,587 3.119,588 3.261,589 2.642,590 2.642,591 4.145,592 3.61,593 552.261,594 6.954,595 6140.78,600 325.212,601 1.352,602 4.029,603 0.324,604 0.01,605 0.051,606 0.042,607 0.029,608 0.021,609 0.017,610 0.014,611 0.012,612 0.011,613 0.531,614 0.83,615 0.88,616 2.642,617 82.234,618 0.275,619 -0.555,620 0.022,621 -0.274,622 -0.318,623 -0.162,624 -0.363,625 0.365,626 -0.037,627 0.196,628 0.291,629 0.115,630 -0.159,631 -0.302,632 -0.339,633 -0.355,634 -0.436,635 -0.357,636 0.08,637 0.084,638 0.128,639 0.118,640 0.111,641 0.124,642 0.001,643 -0.013,644 -0.001,645 -0.006,646 0.001,647 -0.004,649 -0.015,650 -0.001,651 -0.007,653 -0.005,655 -0.017,656 -0.001,657 -0.008,658 -0.002,659 -0.005,660 -0.002,661 -0.02,662 -0.001,663 -0.009,664 -0.003,665 -0.006,666 0.384,667 0.285,669 16.79,670 0.966,671 1.151,672 -3.741,673 13.994,674 0.566,675 2.89,676 3.135,677 2.773,678 2.708,679 2.639,680 2.565,681 2.485,682 2.398,683 2.303,684 2.197,685 6.841,686 0.492,687 258.56,688 2.89,689 4.369,690 5.03,691 5.849,692 6.524,693 7.343,694 8.023,695 8.841,696 9.524,697 10.343,698 3.6,712 2,741 56,745 17,747 55,748 16,770 8,773 16,793 38,796 2,802 2,803 2,807 2,864 6,868 18,876 10,883 2,901 11.5,902 11.5,903 4,904 4,908 1,909 0.829,910 8.888,911 5.147,912 2.89,913 3.135,914 2.773,915 2.708,916 2.639,917 2.565,918 2.485,919 2.398,920 2.303,921 2.197,922 0.857,923 15,924 6.733,926 2.435,927 0.026,929 7.167,931 14.041,933 10.797,936 1.667,937 30,938 0.011,941 447.302,942 74.866,948 74.866,949 447.302,951 50.378,952 24.488,957 447.302,959 447.302,960 74.866,964 400.217,965 47.084,968 24.488,969 50.378,972 447.302,974 74.866,977 447.302,978 24.488,979 50.378,982 447.302,984 74.866,986 0.569,987 0.213,988 0.086,989 0.044,990 6,991 4,992 0.2,993 11,996 3.078,997 94.09,1000 47.549,1005 17.922,1006 8.927,1007 16.989,1018 522.168,1019 17,1031 54.108,1032 64.47,1034 0.184,1035 0.253,1036 0.434,1037 0.491,1038 0.537,1039 0.562,1040 4.127,1041 -0.337,1042 5.118,1043 0.44,1044 3.807,1045 3.807,1046 1.577,1047 5.855,1048 3.69,1049 5.288,1050 -0.845,1051 6.655,1052 -0.745,1053 3.892,1054 3.892,1055 1.404,1056 7.391,1057 3.583,1058 6.582,1059 -1,1060 8.333,1061 -1.906,1062 5.517,1063 5.517,1064 1.668,1065 9.998,1066 5.21,1067 7.908,1068 -1,1069 10.091,1070 -2.935,1071 6.293,1072 6.293,1073 1.778,1074 12.141,1075 5.78,1076 9.265,1077 -1,1078 11.893,1079 -3,1080 7.583,1081 7.583,1082 1.945,1083 14.504,1084 7.046,1085 10.64,1086 -1,1087 13.719,1088 -3,1089 8.59,1090 8.59,1091 2.099,1092 16.767,1093 7.879,1094 12.027,1095 -1.283,1096 15.558,1097 -3,1098 9.777,1099 9.777,1100 2.262,1101 19.08,1102 9.011,1103 3.098,1104 -1.624,1105 17.404,1106 -3,1107 10.863,1108 10.863,1109 2.426,1110 21.37,1111 9.955,1112 3.098,1113 9.951,1114 19.253,1115 -3.696,1116 12.015,1117 12.015,1118 2.594,1119 23.671,1120 11.03,1121 1.903,1122 9.951,1123 21.106,1124 3.098,1125 13.129,1126 13.129,1127 2.764,1128 25.967,1129 12.022,1130 1.633,1131 3.821,1132 22.959,1133 3.098,1134 14.268,1135 14.268,1136 2.936,1137 28.266,1138 13.073,1139 1.231,1140 3.312,1141 24.813,1142 1.903,1143 15.392,1144 15.392,1145 3.109,1146 30.563,1147 14.086,1148 0.74,1149 2.534,1150 26.668,1151 1.633,1152 16.526,1153 16.526,1154 3.284,1155 32.861,1156 15.126,1157 0.204,1158 1.556,1159 28.523,1160 1.231,1161 17.654,1162 17.654,1163 3.46,1164 35.158,1165 16.148,1166 3302,1167 3302,1168 9.704,1169 31.717,1170 23.816,1171 23.073,1172 23.168,1173 24.018,1174 23.816,1175 23.816,1176 4.8,1177 63.132,1178 22.572,1179 5.066,1180 5.424,1181 6.31,1182 4.983,1183 5.066,1184 5.066,1185 1.6,1186 15.095,1187 4.752,1188 13.206,1189 1.401,1190 1.357,1191 1.363,1192 1.413,1193 1.401,1194 1.401,1195 0.282,1196 3.714,1197 1.328,1198 3.905,1199 3.986,1200 3.757,1201 3.734,1202 4.433,1203 3.725,1204 3.841,1205 3.928,1206 3.7,1207 3.63,1208 4.395,1209 3.633,1210 3.708,1211 3.786,1212 3.541,1213 3.519,1214 4.16,1215 3.518,1216 3.514,1217 3.597,1218 3.321,1219 3.339,1220 3.952,1221 3.326,1222 3.267,1223 3.358,1224 3.037,1225 3.095,1226 3.68,1227 3.069,1228 2.986,1229 3.092,1230 2.71,1231 2.794,1232 3.467,1233 2.759,1234 2.874,1235 3.009,1236 2.499,1237 2.618,1238 3.467,1239 2.57,1240 2.874,1241 3.009,1242 2.499,1243 2.618,1244 3.467,1245 2.57,1246 0.241,1247 0.205,1248 0.376,1249 0.235,1250 0.182,1251 4.098,1252 0.182,1253 3.484,1254 0.071,1255 6.394,1256 0.585,1257 4.003,1258 0.165,1259 3.098,1260 3.098,1261 1.2,1262 9.951,1263 2.802,1264 1.851,1265 1.783,1266 2.089,1267 2.062,1268 1.445,1269 2.073,1270 1.804,1271 1.724,1272 2.044,1273 2.048,1274 1.361,1275 2.053,1276 1.7,1277 1.617,1278 1.962,1279 1.911,1280 1.239,1281 1.939,1282 1.53,1283 1.447,1284 1.827,1285 1.736,1286 1.087,1287 1.774,1288 1.302,1289 1.214,1290 1.644,1291 1.519,1292 0.903,1293 1.567,1294 1.032,1295 0.932,1296 1.427,1297 1.278,1298 0.685,1299 1.335,1300 0.934,1301 0.804,1302 1.417,1303 1.239,1304 0.469,1305 1.308,1306 0.934,1307 0.804,1308 1.417,1309 1.239,1310 0.469,1311 1.308,1312 3.555,1314 4.812,1316 6.184,1318 7.606,1320 9.055,1322 13.713,1328 14.055,1335 2.232,1340 27.525,1341 59.791,1342 82.281,1343 141.134,1344 159.624,1345 174.643,1346 182.643,1347 64.093,1348 5.147,1352 10.96,1355 75.95,1356 75,1357 46,1358 0.484,1359 180.764,1360 310,1361 432.824,1362 883,1364 14.071,1365 0.782,1366 0.782,1367 14.071,1368 14.071,1369 8.207,1370 0.483,1371 0.483,1372 8.083,1373 7.918,1374 7.631,1375 6.692,1376 8.207,1377 8.207,1378 8.45,1379 0.384,1380 0.384,1381 8.45,1382 8.45,1383 3.604,1384 0.24,1385 0.24,1386 3.604,1387 3.604,1388 2.371,1389 0.169,1390 0.169,1391 2.371,1392 2.371,1393 1.552,1394 0.119,1395 0.119,1396 1.552,1397 1.552,1398 0.82,1399 51.096,1400 0.321,1401 19.435,1402 1.174,1403 78,1404 82.666,1405 81.552,1406 85.709,1407 111.86,1408 78,1409 76,1410 78.817,1411 81.995,1412 87.86,1413 114,1414 76,1415 5.229}
{0 CHEMBL119389,1 1.236,2 7.474,3 4.572,4 20.903,5 80.673,6 6.472,7 0.524,8 3.729,9 3.865,10 3.187,11 3.339,12 4.713,13 3.274,14 4.275,15 4.471,16 3.549,17 3.75,18 5.143,19 3.657,20 4.503,21 4.727,22 3.648,23 3.87,24 5.374,25 3.762,26 4.601,27 4.848,28 3.567,29 3.872,30 5.491,31 3.739,32 4.579,33 4.848,34 3.385,35 3.806,36 5.369,37 3.643,38 4.481,39 4.743,40 3.154,41 3.701,42 5.258,43 3.508,44 4.429,45 4.738,46 2.75,47 3.497,48 5.092,49 3.241,50 4.203,51 4.551,52 2.314,53 3.149,54 4.793,55 2.854,56 0.048,57 0.544,58 9.042,59 3.815,60 7.744,61 5.449,62 0.075,63 0.894,64 15.826,65 6.722,66 10.392,67 9.646,68 0.112,69 1.11,70 20.182,71 7.988,72 15.375,73 11.696,74 0.19,75 1.214,76 22.611,77 8.27,78 26.881,79 12.311,80 0.157,81 1.14,82 22.036,83 8.336,84 21.79,85 12.345,86 0.129,87 1.021,88 19.846,89 7.848,90 19.843,91 11.488,92 0.114,93 0.905,94 18.858,95 7.604,96 18.521,97 11.128,98 0.087,99 0.683,100 15.039,101 6.089,102 15.833,103 8.937,104 13,105 30,106 0.222,107 0.611,108 0.795,109 0.85,110 0.859,111 0.859,112 3.012,113 1.012,114 -4.37,115 -4.3,116 -4.06,121 43.6,122 2,123 4,138 2,144 4,145 2,146 1,148 2,165 1,166 1,167 1,176 12,180 4,185 2,187 14,189 2,192 5,197 2,200 11,203 2,206 3,208 1,209 1,211 4,214 11,216 4,219 1,224 3,227 14,229 3,232 1,237 1,239 13,241 1,249 1,251 7,253 1,261 1,264 5,266 1,277 3,281 372,282 12.991,283 12.991,284 12.991,285 12.991,286 12.991,287 11.353,288 10.164,289 7.731,290 13.053,291 10.326,292 10.326,293 10.326,294 10.326,295 10.326,296 7.87,297 11.175,298 3.608,299 10.447,300 4.049,301 1.88,302 0.859,303 0.552,304 0.5,305 0.5,306 3.69,311 1,312 1,313 304,314 2.55,317 29.628,318 71.124,321 51.476,322 60.122,325 1.235,326 9.686,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 39,338 142,339 4.711,340 3.506,341 6.935,342 4.303,343 3.318,344 4.598,345 0.962,346 11.671,347 3.268,348 4.253,349 2.964,350 6.373,351 3.815,352 2.822,353 3.837,355 9.626,356 2.8,357 3.636,358 2.387,359 5.659,360 3.206,361 2.224,362 3.055,364 7.209,365 2.183,366 3.307,367 2.122,368 5.15,369 2.847,370 1.875,371 2.608,373 5.783,374 1.818,375 2.904,376 1.848,377 4.492,378 2.629,379 1.632,380 2.095,382 4.192,383 1.627,384 2.704,385 1.442,386 3.776,387 2.406,388 1.411,389 1.726,391 3.053,392 1.403,393 2.494,394 1.354,395 3.655,396 2.258,397 1.262,398 1.492,400 2.785,401 1.257,402 2.069,403 0.968,404 3.417,405 1.823,406 0.841,407 1.004,409 1.937,410 0.824,411 1.496,412 0.673,413 3,414 1.334,415 0.353,416 0.381,418 0.722,419 0.346,420 1.238,421 0.017,422 2.619,423 0.926,424 -0.039,425 -0.048,427 -0.082,428 -0.038,429 0.866,430 -0.214,431 2.438,432 0.536,433 -0.447,434 -0.542,436 -0.976,437 -0.439,438 0.598,439 -0.474,440 2.169,441 0.242,442 -0.752,443 -0.919,445 -1.938,446 -0.747,447 0.39,448 -0.793,449 2,450 0.085,451 -0.896,452 -1.147,454 -2.121,455 -0.877,456 0.108,457 -0.991,458 1.731,459 -0.12,460 -1.112,461 -1.334,463 -2.361,464 -1.103,466 -1.222,467 1.512,468 -0.352,469 -1.331,470 -1.719,472 -3.754,473 -1.303,474 9.3,475 0.489,476 0.452,477 0.024,478 23.25,479 1.224,480 12,481 0.632,482 11.25,483 0.592,484 16.329,485 0.859,486 20.1,487 0.515,488 13.526,489 0.712,490 4.135,491 0.218,492 5.085,493 0.268,494 0.151,496 0.376,501 1.072,502 1.059,503 0.951,504 0.978,505 1.217,506 0.961,507 0.677,508 1.075,509 0.823,510 0.968,511 0.604,512 0.916,513 0.915,514 1.204,515 0.887,516 1.029,517 0.791,518 0.969,519 1.427,520 1.086,521 1.087,522 1.022,523 1.236,524 1.031,525 1.373,526 0.959,527 1.084,528 0.971,529 1.147,530 1.003,531 1.247,532 1.088,533 1.256,534 1.18,535 1.349,536 1.212,537 0.892,538 0.974,539 1.103,540 1.083,541 0.987,542 1.103,543 0.591,544 0.816,545 0.863,546 0.893,547 0.778,548 0.895,549 3,550 0.012,551 2.444,552 1.951,553 1.463,554 0.751,555 0.3,556 0.159,557 0.053,558 0.026,559 2890,560 5307,561 2.081,562 51.3,563 14,564 4,567 2,572 1.609,573 1.932,574 2.883,575 0.238,582 48.205,583 1.236,584 3.406,585 4.426,586 4.734,587 4.785,588 4.785,589 2.439,590 3.892,591 4.214,592 2.967,593 507.389,594 7.211,595 4766.42,597 1,600 206.131,601 1.462,602 4.171,603 0.143,604 0.012,605 0.081,606 0.061,607 0.052,608 0.033,609 0.018,610 0.016,611 0.009,612 0.009,613 0.433,614 0.83,615 1,616 1.315,617 80.172,618 -0.069,619 0.092,620 0.039,621 0.084,622 -0.136,623 0.071,624 0.128,625 -0.027,626 0.15,627 0.073,628 0.122,629 0.106,630 0.137,631 -0.167,632 0.099,633 -0.031,634 0.139,635 0.02,636 -0.009,637 -0.031,638 -0.082,639 -0.073,640 0.052,641 -0.08,642 -0.178,643 0.046,644 -0.097,645 -0.015,646 -0.097,647 -0.045,648 -0.24,649 -0.101,650 -0.286,651 -0.209,652 -0.235,653 -0.243,654 -0.102,655 -0.075,656 -0.149,657 -0.124,658 -0.144,659 -0.137,660 0.073,661 0.016,662 0.085,663 0.055,664 0.054,665 0.068,666 0.744,667 2.357,668 0.684,669 12.82,670 0.978,671 1.121,672 3.138,673 9.849,674 0.663,675 3.091,676 3.434,677 3.784,678 4.111,679 4.369,680 4.489,681 4.615,682 4.71,683 4.635,684 4.431,685 4.38,686 0.61,687 252.39,688 3.091,689 4.635,690 5.517,691 6.425,692 7.335,693 8.255,694 9.174,695 10.098,696 11.021,697 11.948,698 5.1,702 1,708 1,714 2,715 4,716 1,720 3,722 11,733 1,741 39,743 12,744 1,745 21,747 41,748 17,749 9,750 2,751 4,752 2,756 3,757 6,763 2,767 1,770 4,772 11,773 6,777 1,786 2,790 1,793 20,794 2,795 2,796 2,802 2,808 0.333,822 1,828 1,829 2,832 1,833 1,850 2,859 1,864 2,868 19,869 1,876 4,901 9.833,902 7.617,903 4.25,904 2.683,907 2.753,908 1.403,909 1.015,910 3.117,911 9.582,912 3.35,913 4.016,914 4.687,915 5.347,916 5.962,917 6.374,918 6.838,919 7.248,920 7.509,921 7.506,922 1,923 32,924 7.039,926 2.96,927 0.026,929 7.43,931 14.008,933 11.833,936 1.93,937 36.667,938 0.003,941 211.88,942 85.481,943 49.683,948 85.481,949 211.88,950 49.683,951 17.65,952 10.138,953 70.802,954 16.786,955 19.787,957 211.88,959 211.88,960 135.164,964 211.88,968 32.689,969 85.689,970 16.786,972 211.88,973 49.683,974 85.481,977 211.88,978 29.925,979 55.555,981 49.683,982 211.88,983 49.683,984 85.481,986 0.576,987 0.354,988 0.206,989 0.12,990 16,991 7,992 0.073,993 3,994 2,995 1.308,996 3.059,997 147.234,998 0.308,999 13,1000 80.711,1005 12.375,1006 4.786,1007 1.965,1008 2.105,1009 49.683,1010 8.173,1011 4.863,1015 3.316,1017 32.897,1018 347.043,1019 27.5,1028 2.868,1031 38.156,1032 43.733,1034 0.234,1035 0.644,1036 0.837,1037 0.896,1038 0.905,1039 0.905,1040 4.593,1041 0.841,1042 5.517,1043 2.785,1044 4.111,1045 4.7,1046 1.047,1047 6.402,1048 4.085,1049 5.829,1050 0.353,1051 7.12,1052 1.937,1053 3.761,1054 4.663,1056 7.441,1057 3.718,1058 7.174,1059 -0.039,1060 8.831,1061 0.722,1062 5.759,1063 7.028,1064 0.997,1065 10.616,1066 5.706,1067 8.564,1068 -0.447,1069 10.603,1070 -0.082,1071 6.275,1072 7.839,1074 12.489,1075 6.205,1076 9.989,1077 -0.752,1078 12.414,1079 -0.976,1080 7.748,1081 9.687,1082 0.949,1083 15.182,1084 7.668,1085 11.44,1086 -0.896,1087 14.251,1088 -1.938,1089 8.65,1090 10.878,1092 17.386,1093 8.554,1094 12.91,1095 -1.112,1096 16.107,1097 -2.121,1098 9.931,1099 12.524,1100 0.901,1101 19.918,1102 9.822,1103 3.318,1104 -1.331,1105 17.975,1106 -2.361,1107 10.999,1108 13.89,1110 22.259,1111 10.873,1112 2.822,1113 11.671,1114 19.854,1115 -3.754,1116 12.212,1117 15.455,1118 0.856,1119 24.734,1120 12.073,1121 2.224,1122 9.626,1123 21.741,1124 4.598,1125 13.349,1126 16.902,1128 27.135,1129 13.193,1130 1.875,1131 7.209,1132 23.635,1133 3.837,1134 14.541,1135 18.436,1136 0.811,1137 29.591,1138 14.37,1139 1.632,1140 5.783,1141 25.533,1142 3.055,1143 15.707,1144 19.921,1146 32.018,1147 15.521,1148 1.411,1149 4.192,1150 27.436,1151 2.608,1152 16.895,1153 21.444,1154 0.769,1155 34.47,1156 16.693,1157 1.262,1158 3.053,1159 29.343,1160 2.095,1161 18.075,1162 22.947,1164 36.91,1165 17.857,1166 2900,1167 4033,1168 13.929,1169 25.864,1170 31.575,1171 31.857,1172 33.485,1173 31.5,1174 31.476,1175 41.591,1176 1.923,1177 93.959,1178 31.055,1179 5.574,1180 5.506,1181 6.794,1182 5.347,1183 5.318,1184 7.598,1185 1.923,1186 19.348,1187 5.268,1188 8.848,1189 1.504,1190 1.517,1191 1.595,1192 1.5,1193 1.499,1194 1.981,1195 0.092,1196 4.474,1197 1.479,1198 4.13,1199 4.157,1200 4.097,1201 4.066,1202 5.152,1203 4.071,1204 3.802,1205 3.841,1206 3.718,1207 3.742,1208 4.79,1209 3.732,1210 3.592,1211 3.66,1212 3.416,1213 3.467,1214 4.498,1215 3.445,1216 3.296,1217 3.368,1218 3.167,1219 3.163,1220 4.15,1221 3.156,1222 3.108,1223 3.207,1224 2.957,1225 2.923,1226 4.053,1227 2.909,1228 3.02,1229 3.109,1230 2.802,1231 2.841,1232 3.701,1233 2.829,1234 2.847,1235 2.953,1236 2.607,1237 2.665,1238 3.598,1239 2.639,1240 2.703,1241 2.809,1242 2.497,1243 2.437,1244 3.434,1245 2.436,1246 0.224,1247 0.167,1248 0.33,1249 0.205,1250 0.158,1251 4.711,1252 0.219,1253 3.506,1254 0.046,1255 6.935,1256 0.556,1257 4.303,1258 0.156,1259 3.318,1260 4.598,1261 0.962,1262 11.671,1263 3.268,1264 2.033,1265 2.01,1266 2.1,1267 2.115,1268 1.31,1269 2.112,1270 1.776,1271 1.73,1272 1.997,1273 1.907,1274 1.237,1275 1.941,1276 1.566,1277 1.51,1278 1.819,1279 1.722,1280 1.033,1281 1.758,1282 1.482,1283 1.437,1284 1.649,1285 1.612,1286 0.83,1287 1.628,1288 1.124,1289 1.028,1290 1.502,1291 1.378,1292 0.632,1293 1.426,1294 0.99,1295 0.922,1296 1.258,1297 1.253,1298 0.373,1299 1.255,1300 0.869,1301 0.778,1302 1.22,1303 1.135,1304 0.267,1305 1.18,1306 0.72,1307 0.623,1308 1.093,1309 0.992,1310 0.202,1311 1.034,1312 3.761,1314 5.094,1315 2.398,1316 6.645,1317 4.844,1318 8.305,1319 7.034,1320 10.024,1322 4.449,1326 6.357,1328 4.536,1340 23.784,1341 48.205,1342 132.828,1343 172.621,1344 184.621,1345 186.621,1346 186.621,1347 23.587,1348 6.829,1349 38.91,1350 38.91,1351 17,1352 12.453,1353 3.7,1354 2.907,1355 27.629,1356 50,1357 60,1358 0.293,1359 147.684,1360 249.94,1361 352.11,1362 7013,1364 13.405,1365 0.706,1366 0.614,1367 13.405,1368 11.662,1369 9.22,1370 0.439,1371 0.337,1372 7.056,1373 9.127,1374 6.786,1375 5.708,1376 9.22,1377 7.081,1378 8.15,1379 0.272,1380 0.18,1381 8.15,1382 5.409,1383 7.259,1384 0.169,1385 0.094,1386 7.259,1387 4.061,1388 6.299,1389 0.105,1390 0.049,1391 6.299,1392 2.965,1393 5.258,1394 0.067,1395 0.027,1396 5.258,1397 2.131,1398 0.433,1399 56.014,1400 0.268,1401 18.46,1402 0.887,1403 102,1404 204.957,1405 105.081,1406 211.865,1407 306.79,1408 200,1409 124,1410 240.662,1411 127.664,1412 250.249,1413 371.74,1414 237,1415 4.602}
{0 CHEMBL119390,1 1.287,2 5.688,3 3.203,4 10.262,5 66.87,6 7.01,7 0.611,8 3.495,9 3.624,10 3.03,11 3.132,12 4.561,13 3.083,14 4.005,15 4.183,16 3.425,17 3.542,18 4.965,19 3.477,20 4.181,21 4.353,22 3.513,23 3.65,24 5.197,25 3.575,26 4.345,27 4.58,28 3.318,29 3.615,30 5.326,31 3.487,32 4.264,33 4.556,34 2.985,35 3.422,36 5.085,37 3.249,38 3.935,39 4.191,40 2.513,41 3.15,42 4.787,43 2.943,44 3.769,45 4.114,46 1.792,47 2.736,48 4.337,49 2.421,50 3.208,51 3.581,52 0.746,53 2.028,54 3.664,55 1.636,56 0.036,57 0.423,58 6.406,59 2.724,60 6.849,61 3.786,62 0.051,63 0.685,64 11.252,65 4.848,66 7.685,67 6.821,68 0.069,69 0.837,70 13.45,71 5.428,72 10.237,73 7.7,74 0.166,75 0.971,76 17.034,77 6.074,78 24.791,79 8.813,80 0.128,81 0.831,82 16.451,83 6.124,84 20.907,85 8.955,86 0.085,87 0.599,88 11.37,89 4.45,90 16.625,91 6.401,92 0.052,93 0.449,94 10.337,95 4.362,96 11.437,97 6.351,98 0.033,99 0.244,100 5.99,101 2.455,102 7.048,103 3.614,104 10,105 27,106 0.244,107 0.653,108 0.745,109 0.834,110 0.846,111 0.846,112 2.857,113 0.92,114 -3.62,115 -3.59,116 -3.42,121 46.7,122 2,123 1,138 2,144 4,145 2,146 1,148 2,165 1,166 1,167 1,176 9,180 4,185 2,187 11,189 2,192 5,197 2,200 8,203 2,206 2,208 1,209 1,211 4,214 6,216 4,224 3,227 10,229 3,239 8,251 3,281 160,282 10.707,283 10.707,284 10.707,285 10.707,286 10.707,287 9.016,288 8.952,289 6.06,290 10.768,291 8.841,292 8.841,293 8.841,294 8.841,295 8.841,296 6.38,297 11.175,298 2.85,299 8.962,300 3.62,301 1.467,302 0.984,303 0.517,304 0.45,305 0.45,306 3.526,311 1,312 1,313 199,314 1.871,317 22.83,318 53.754,321 39.545,322 45.625,325 0.852,326 8.587,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 33,338 91,339 4.704,340 3.487,341 6.909,342 4.29,343 3.306,344 4.596,345 0.962,346 11.53,347 3.254,348 4.232,349 2.942,350 6.321,351 3.788,352 2.795,353 3.816,355 9.392,356 2.774,357 3.623,358 2.347,359 5.612,360 3.177,361 2.199,362 3.042,364 7.015,365 2.152,366 3.301,367 2.103,368 5.137,369 2.844,370 1.87,371 2.596,373 5.725,374 1.817,375 2.903,376 1.66,377 4.419,378 2.411,379 1.414,380 2.092,382 3.841,383 1.409,384 2.61,385 1.432,386 3.713,387 2.337,388 1.343,389 1.64,391 3.052,392 1.334,393 2.087,394 0.965,395 3.551,396 1.793,397 0.814,398 1.006,400 2.009,401 0.795,402 1.418,403 0.574,404 3,405 1.126,406 0.166,407 0.194,409 0.41,410 0.159,411 1.033,412 -0.145,413 2.54,414 0.645,415 -0.329,416 -0.425,418 -0.805,419 -0.32,420 0.62,421 -0.417,422 2.354,423 0.243,424 -0.75,425 -0.917,427 -1.939,428 -0.745,429 0.418,430 -0.78,431 2,432 0.087,433 -0.895,434 -1.174,436 -2.195,437 -0.876,438 0.109,439 -0.989,440 1.837,441 -0.181,442 -1.165,443 -1.497,445 -3.084,446 -1.146,448 -1.222,449 1.514,450 -0.431,451 -1.414,452 -1.813,454 -4.101,455 -1.391,456 -0.226,457 -1.353,458 1.331,459 -0.636,460 -1.617,461 -2.073,463 -4.876,464 -1.583,465 -0.5,466 -1.612,467 1.261,468 -0.793,469 -1.79,470 -2.387,472 -5.534,473 -1.779,474 7.8,475 0.488,476 0.49,477 0.031,478 21.75,479 1.359,480 12,481 0.75,482 9.75,483 0.609,484 11.338,485 0.709,486 16.2,487 0.54,488 12.412,489 0.776,490 4.184,491 0.262,492 3.497,493 0.219,494 0.179,496 0.449,501 1.065,502 0.969,503 0.858,504 0.866,505 1.262,506 0.849,507 0.645,508 0.984,509 0.677,510 0.834,511 0.592,512 0.772,513 1.024,514 1.383,515 0.985,516 1.17,517 0.86,518 1.092,519 1.579,520 1.136,521 1.249,522 1.12,523 1.39,524 1.152,525 1.213,526 0.82,527 0.991,528 0.859,529 1.034,530 0.899,531 1.351,532 1.052,533 1.445,534 1.274,535 1.731,536 1.35,537 0.26,538 0.815,539 0.881,540 0.988,541 0.452,542 0.983,543 0.251,544 0.786,545 0.851,546 0.953,547 0.49,548 0.949,549 3,551 2.444,552 1.826,553 1.258,554 0.532,555 0.143,556 0.069,559 1761,560 3650,561 2.097,562 46.7,563 8,564 4,567 2,572 1.559,573 1.92,574 2.573,575 0.329,577 1,579 1,582 38.601,583 1.287,584 3.44,585 3.923,586 4.39,587 4.457,588 4.457,589 1.924,590 3.156,591 3.978,592 2.593,593 311.183,594 6.73,595 2584.31,597 1,600 147.207,601 1.505,602 3.912,603 0.167,605 0.091,606 0.065,607 0.06,608 0.035,609 0.018,610 0.023,613 0.458,614 1,615 1,616 0.703,617 61.691,618 -0.105,619 0.118,620 0.035,621 0.107,622 -0.237,623 0.087,624 0.141,625 0.025,626 0.242,627 0.159,628 0.108,629 0.199,630 0.047,631 -0.338,632 -0.06,633 -0.22,634 0.068,635 -0.161,636 -0.144,637 -0.084,638 -0.271,639 -0.209,640 -0.088,641 -0.242,642 -0.127,643 0.129,644 0.009,645 0.098,646 0.006,647 0.07,648 -0.384,649 -0.094,650 -0.49,651 -0.32,652 -0.465,653 -0.396,654 0.16,655 -0.032,656 0.117,657 0.035,658 0.099,659 0.066,660 0.205,661 -0.033,662 0.175,663 0.066,664 0.092,665 0.109,666 0.767,667 2.228,668 0.813,669 7.375,670 0.984,671 1.116,672 2.39,673 5.71,674 0.686,675 2.944,676 3.332,677 3.689,678 3.989,679 4.234,680 4.304,681 4.394,682 4.443,683 4.304,684 3.97,685 3.564,686 0.64,687 210.3,688 2.944,689 4.511,690 5.407,691 6.323,692 7.238,693 8.159,694 9.079,695 10.001,696 10.923,697 11.846,698 6.7,702 1,708 1,714 2,715 4,716 1,720 3,722 11,733 1,741 30,743 12,744 1,745 18,747 32,748 14,749 9,750 2,751 4,752 2,756 3,757 6,763 2,767 1,770 1,772 11,773 3,777 1,786 2,790 1,793 14,794 2,795 2,796 2,802 2,808 0.333,822 1,828 1,829 2,832 1,833 1,850 2,859 1,864 2,868 16,869 1,876 1,901 8.333,902 6.117,903 3.417,904 1.808,907 2.752,908 1.423,909 1.049,910 1.889,911 9.254,912 3.239,913 3.961,914 4.64,915 5.293,916 5.915,917 6.312,918 6.764,919 7.151,920 7.385,921 7.297,922 0.75,923 28,924 5.9,926 2.53,927 0.026,929 7.51,931 11.559,933 9.838,936 2.01,937 32.167,938 0.005,941 141.253,942 77.877,943 49.683,948 77.877,949 141.253,950 49.683,951 17.65,952 2.535,953 70.802,954 16.786,955 19.787,957 141.253,959 141.253,960 127.56,964 141.253,968 25.086,969 85.689,970 16.786,972 141.253,973 49.683,974 77.877,977 141.253,978 22.322,979 55.555,981 49.683,982 141.253,983 49.683,984 77.877,986 0.601,987 0.377,988 0.206,989 0.114,990 16,991 7,994 2,995 1.308,996 2.747,997 119.283,998 0.308,999 13,1000 64,1005 9.556,1006 3.162,1007 1.238,1008 2.066,1009 49.683,1010 8.074,1011 4.71,1015 3.194,1017 32.897,1018 268.813,1019 24.5,1028 2.664,1031 29.505,1032 33.488,1034 0.262,1035 0.701,1036 0.8,1037 0.895,1038 0.908,1039 0.908,1040 4.497,1041 0.166,1042 5.434,1043 2.009,1044 4.007,1045 4.644,1046 1.047,1047 6.333,1048 3.978,1049 5.766,1050 -0.329,1051 7.055,1052 0.41,1053 3.761,1054 4.663,1056 7.383,1057 3.718,1058 7.127,1059 -0.75,1060 8.778,1061 -0.805,1062 5.687,1063 7.005,1064 0.997,1065 10.546,1066 5.63,1067 8.527,1068 -0.895,1069 10.556,1070 -1.939,1071 6.256,1072 7.831,1074 12.401,1075 6.185,1076 9.959,1077 -1.165,1078 12.37,1079 -2.195,1080 7.695,1081 9.673,1082 0.949,1083 15.093,1084 7.61,1085 11.413,1086 -1.414,1087 14.206,1088 -3.084,1089 8.618,1090 10.867,1092 17.276,1093 8.518,1094 12.884,1095 -1.617,1096 16.059,1097 -4.101,1098 9.883,1099 12.512,1100 0.901,1101 19.805,1102 9.77,1103 3.306,1104 -1.79,1105 17.924,1106 -4.876,1107 10.957,1108 13.879,1110 22.129,1111 10.827,1112 2.795,1113 11.53,1114 19.8,1115 -5.534,1116 12.163,1117 15.443,1118 0.856,1119 24.598,1120 12.018,1121 2.199,1122 9.392,1123 21.683,1124 4.596,1125 13.299,1126 16.891,1128 26.984,1129 13.138,1130 1.87,1131 7.015,1132 23.573,1133 3.816,1134 14.487,1135 18.425,1136 0.811,1137 29.432,1138 14.31,1139 1.414,1140 5.725,1141 25.468,1142 3.042,1143 15.652,1144 19.91,1146 31.847,1147 15.458,1148 1.343,1149 3.841,1150 27.367,1151 2.596,1152 16.836,1153 21.433,1154 0.769,1155 34.289,1156 16.627,1157 0.814,1158 3.052,1159 29.27,1160 2.092,1161 18.013,1162 22.937,1164 36.717,1165 17.787,1166 1761,1167 2605,1168 11.849,1169 20.58,1170 27.978,1171 28.244,1172 29.324,1173 27.798,1174 27.813,1175 37.966,1176 1.923,1177 85.948,1178 27.389,1179 5.443,1180 5.487,1181 6.59,1182 5.334,1183 5.306,1184 7.596,1185 1.923,1186 19.199,1187 5.254,1188 7.497,1189 1.554,1190 1.569,1191 1.629,1192 1.544,1193 1.545,1194 2.109,1195 0.107,1196 4.775,1197 1.522,1198 4.126,1199 4.152,1200 4.093,1201 4.061,1202 5.152,1203 4.066,1204 3.772,1205 3.806,1206 3.695,1207 3.717,1208 4.791,1209 3.707,1210 3.313,1211 3.383,1212 3.196,1213 3.185,1214 4.51,1215 3.18,1216 3.104,1217 3.204,1218 2.958,1219 2.915,1220 4.102,1221 2.907,1222 2.997,1223 3.091,1224 2.757,1225 2.812,1226 3.72,1227 2.792,1228 2.843,1229 2.95,1230 2.605,1231 2.662,1232 3.681,1233 2.637,1234 2.699,1235 2.808,1236 2.485,1237 2.386,1238 3.431,1239 2.399,1240 2.368,1241 2.451,1242 2.173,1243 2.194,1244 3.151,1245 2.176,1246 0.261,1247 0.194,1248 0.384,1249 0.238,1250 0.184,1251 4.704,1252 0.255,1253 3.487,1254 0.053,1255 6.909,1256 0.641,1257 4.29,1258 0.181,1259 3.306,1260 4.596,1261 0.962,1262 11.53,1263 3.254,1264 2.032,1265 2.01,1266 2.099,1267 2.114,1268 1.24,1269 2.111,1270 1.691,1271 1.65,1272 1.89,1273 1.81,1274 1.089,1275 1.84,1276 1.509,1277 1.473,1278 1.674,1279 1.631,1280 0.831,1281 1.647,1282 1.109,1283 1.013,1284 1.497,1285 1.38,1286 0.556,1287 1.424,1288 0.973,1289 0.902,1290 1.256,1291 1.235,1292 0.343,1293 1.246,1294 0.868,1295 0.777,1296 1.193,1297 1.125,1298 0.228,1299 1.163,1300 0.661,1301 0.531,1302 1.038,1303 0.977,1305 1.013,1306 0.527,1307 0.445,1308 0.786,1309 0.694,1311 0.729,1312 3.611,1314 4.977,1315 2.398,1316 6.555,1317 4.844,1318 8.23,1319 7.018,1320 9.957,1322 4.281,1326 6.228,1328 0.949,1340 19.204,1341 38.601,1342 103.207,1343 117.697,1344 131.697,1345 133.697,1346 133.697,1347 17.064,1348 6.501,1349 38.91,1350 38.91,1351 17,1352 12.352,1353 3.7,1354 2.907,1355 21.61,1356 38,1357 25,1358 0.337,1359 118.907,1360 198.04,1361 281.894,1362 4546,1364 11.284,1365 0.705,1366 0.596,1367 11.284,1368 9.541,1369 7.682,1370 0.427,1371 0.307,1372 5.496,1373 7.589,1374 5.243,1375 4.388,1376 7.682,1377 5.52,1378 7.203,1379 0.267,1380 0.165,1381 7.203,1382 4.452,1383 6.66,1384 0.171,1385 0.089,1386 6.66,1387 3.475,1388 5.513,1389 0.104,1390 0.045,1391 5.513,1392 2.366,1393 4.581,1394 0.067,1395 0.024,1396 4.581,1397 1.648,1398 0.483,1399 46.786,1400 0.291,1401 15.417,1402 1.069,1403 90,1404 192.957,1405 93.081,1406 199.688,1407 288.51,1408 188,1409 111,1410 226.662,1411 114.664,1412 236.567,1413 350.08,1414 223,1415 5.456}
{0 CHEMBL119528,1 1.354,2 7.45,3 3.614,4 13.059,5 81.54,6 6.438,7 0.5,8 3.81,9 3.944,10 3.248,11 3.375,12 4.809,13 3.317,14 4.377,15 4.563,16 3.666,17 3.816,18 5.278,19 3.736,20 4.71,21 4.929,22 3.832,23 3.981,24 5.698,25 3.89,26 4.825,27 5.069,28 3.712,29 3.991,30 5.786,31 3.868,32 4.789,33 5.059,34 3.582,35 3.928,36 5.704,37 3.777,38 4.706,39 4.966,40 3.311,41 3.825,42 5.595,43 3.641,44 4.617,45 4.936,46 2.868,47 3.609,48 5.321,49 3.349,50 4.285,51 4.637,52 2.336,53 3.196,54 4.888,55 2.895,56 0.059,57 0.592,58 10.034,59 4.203,60 10.726,61 5.885,62 0.081,63 0.985,64 17.824,65 7.418,66 11.895,67 10.51,68 0.236,69 1.285,70 25.562,71 9.313,72 33.059,73 13.514,74 0.332,75 1.397,76 29.112,77 9.667,78 48.209,79 14.295,80 0.295,81 1.309,82 27.744,83 9.712,84 47.873,85 14.456,86 0.253,87 1.176,88 25.512,89 9.178,90 43.444,91 13.355,92 0.182,93 1.006,94 22.985,95 8.653,96 31.138,97 12.826,98 0.123,99 0.688,100 16.357,101 6.187,102 21.428,103 9.284,104 20,105 33,106 0.241,107 0.605,108 0.767,109 0.867,110 0.875,111 0.875,112 3.06,113 1.019,114 -3.62,115 -3.59,116 -3.42,121 40.5,122 2,123 4,124 1,132 1,144 4,145 2,146 1,148 2,165 1,166 1,167 1,176 10,180 3,185 4,187 10,189 2,192 5,195 1,197 6,200 10,203 2,206 3,208 1,209 1,211 4,214 8,216 3,219 1,223 1,224 6,226 1,227 12,229 3,232 1,237 3,239 12,241 1,249 2,251 7,253 1,261 1,264 5,266 1,277 3,281 428,282 13.386,283 13.386,284 13.386,285 13.386,286 13.386,287 12.084,288 9.729,289 7.754,290 13.477,291 10.772,292 10.772,293 10.772,294 10.772,295 10.772,296 8.799,297 12.245,298 3.565,299 10.969,300 4.038,301 1.985,302 1.072,303 0.512,304 0.465,305 0.465,306 3.732,310 1,311 1,312 1,313 317,314 3,317 31.459,318 75.877,321 54.645,322 64.094,325 1.195,326 18.866,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 42,338 149,339 4.817,340 3.959,341 7.875,342 4.619,343 3.649,344 4.593,345 0.765,346 14.626,347 3.536,348 4.377,349 3.111,350 6.668,351 4.001,352 3.02,353 3.792,355 10.581,356 2.96,357 3.681,358 2.473,359 5.866,360 3.299,361 2.316,362 3.069,364 7.781,365 2.275,366 3.263,367 1.95,368 5.404,369 2.853,370 1.888,371 2.528,373 6.045,374 1.82,375 2.912,376 1.787,377 4.801,378 2.675,379 1.684,380 2.098,382 4.689,383 1.668,384 2.739,385 1.471,386 4.027,387 2.41,388 1.414,389 1.762,391 3.056,392 1.407,393 2.496,394 1.419,395 3.701,396 2.378,397 1.389,398 1.496,400 2.837,401 1.372,402 2.238,403 0.999,404 3.526,405 1.897,406 0.92,407 1.187,409 2.215,410 0.896,411 1.498,412 0.584,413 3.136,414 1.335,415 0.353,416 0.378,418 0.781,419 0.346,420 1.252,421 0.266,422 2.891,423 1.066,424 0.109,425 0.119,427 0.198,428 0.104,429 1.021,430 -0.13,431 2.749,432 0.652,433 -0.307,434 -0.4,436 -0.773,437 -0.293,438 0.621,439 -0.68,440 2.481,441 0.243,442 -0.75,443 -0.916,445 -1.934,446 -0.744,447 0.412,448 -0.721,449 2.236,450 0.086,451 -0.894,452 -1,454 -1.956,455 -0.873,456 0.101,457 -0.833,458 2,459 -0.042,460 -1,461 -1.174,463 -2.214,464 -0.934,466 -1.038,467 1.815,468 -0.218,469 -1.172,470 -1.401,472 -3.462,473 -1.131,474 9.633,475 0.482,476 0.596,477 0.03,478 22.5,479 1.125,480 10.5,481 0.525,482 12,483 0.6,484 19.586,485 0.979,486 22.167,487 0.528,488 13.962,489 0.698,490 3.715,491 0.186,492 5.861,493 0.293,494 0.18,495 0.052,496 0.311,501 1.027,502 1.103,503 0.974,504 1.019,505 1.139,506 0.994,507 0.685,508 1.175,509 0.821,510 1.072,511 0.691,512 0.978,513 1.132,514 1.2,515 0.903,516 1.049,517 1.116,518 0.974,519 1.659,520 1.053,521 1.172,522 1.002,523 1.592,524 1.034,525 1.085,526 0.953,527 1.024,528 0.964,529 0.96,530 0.978,531 1.455,532 1.047,533 1.283,534 1.129,535 1.49,536 1.183,537 0.722,538 0.921,539 1.014,540 1.017,541 0.742,542 1.04,543 0.446,544 0.8,545 0.832,546 0.871,547 0.518,548 0.887,549 4.5,550 0.012,551 3.556,552 2.549,553 1.743,554 0.924,555 0.361,556 0.187,557 0.053,558 0.026,559 3157,560 6204,561 2.036,562 52.4,563 12,564 4,567 3,569 3,572 1.626,573 1.86,574 2.86,575 1.005,577 1,579 1,582 56.883,583 1.354,584 3.408,585 4.32,586 4.88,587 4.928,588 4.928,589 2.423,590 4.222,591 4.289,592 2.947,593 559.959,594 7.371,595 5410.36,596 1,597 1,599 1,600 226.477,601 1.72,602 4.22,603 0.205,604 0.012,605 0.108,606 0.069,607 0.056,608 0.034,609 0.019,610 0.017,611 0.009,612 0.009,613 0.537,614 1,615 1,616 1.329,617 85.474,618 -0.107,619 0.117,620 0.021,621 0.118,622 -0.181,623 0.088,624 0.08,625 -0.069,626 0.149,627 0.025,628 0.048,629 0.083,630 0.118,631 -0.154,632 0.107,633 -0.038,634 0.098,635 0.019,636 -0.164,637 -0.013,638 -0.141,639 -0.054,640 -0.151,641 -0.091,642 0.007,643 0.043,644 -0.033,645 -0.012,646 0.093,647 -0.021,648 -0.223,649 -0.073,650 -0.29,651 -0.164,652 -0.189,653 -0.223,654 -0.03,655 -0.047,656 -0.077,657 -0.073,658 -0.039,659 -0.078,660 0.055,661 0.016,662 0.085,663 0.052,664 0.028,665 0.068,666 2.066,667 5.109,668 0.65,669 13.14,670 0.985,671 1.128,672 2.385,673 5.689,674 0.645,675 3.135,676 3.526,677 3.892,678 4.19,679 4.466,680 4.585,681 4.71,682 4.796,683 4.736,684 4.533,685 4.358,686 0.596,687 270.41,688 3.135,689 4.71,690 5.609,691 6.538,692 7.468,693 8.407,694 9.347,695 10.29,696 11.233,697 12.179,698 4.8,702 1,708 1,714 2,715 4,716 1,720 3,722 11,733 1,741 42,743 11,744 1,745 22,747 44,748 17,749 9,750 2,751 4,756 3,757 6,763 2,767 1,768 2,770 4,772 9,773 8,774 2,789 1,790 1,793 22,794 3,795 3,796 3,802 2,808 0.333,809 1,812 1,822 1,828 1,829 2,832 1,833 1,857 1,859 1,864 2,868 20,869 1,875 1,876 4,880 1,882 1,893 2.4,894 1,901 10.75,902 7.9,903 4.403,904 2.879,907 2.404,908 1.347,909 0.934,910 3.272,911 9.323,912 3.35,913 3.998,914 4.659,915 5.288,916 5.907,917 6.289,918 6.715,919 7.074,920 7.345,921 7.244,922 1,923 37,924 7.472,926 3.277,927 0.026,929 7.596,931 14.628,933 12.703,936 2.096,937 41.917,938 0.001,941 223.651,942 79.11,943 49.683,945 42.683,948 79.11,949 266.334,950 49.683,951 17.65,952 10.138,953 113.486,954 16.786,955 13.416,957 223.651,959 223.651,960 128.792,961 42.683,964 188.338,965 35.313,966 42.683,968 32.689,969 79.317,970 16.786,972 223.651,973 92.366,974 79.11,977 223.651,978 23.554,979 55.555,981 92.366,982 223.651,983 92.366,984 79.11,986 0.59,987 0.37,988 0.203,989 0.12,990 18,991 8,992 0.068,993 3,994 2,995 1.308,996 3.054,997 162.009,998 0.308,999 13,1000 86.439,1005 13.537,1006 4.834,1007 1.968,1008 1.881,1009 92.366,1010 7.917,1011 4.743,1015 2.661,1017 75.581,1018 395.127,1019 27.5,1031 41.367,1032 47.358,1034 0.251,1035 0.632,1036 0.801,1037 0.905,1038 0.914,1039 0.914,1040 4.632,1041 0.92,1042 5.666,1043 2.837,1044 4.205,1045 4.682,1046 0.775,1047 6.64,1048 4.162,1049 5.881,1050 0.353,1051 7.341,1052 2.215,1053 4.111,1054 4.718,1056 8.1,1057 4.018,1058 7.248,1059 0.109,1060 9.14,1061 0.781,1062 5.999,1063 6.99,1064 0.521,1065 11.248,1066 5.903,1067 8.661,1068 -0.307,1069 11.015,1070 0.198,1071 6.758,1072 7.845,1074 13.529,1075 6.61,1076 10.112,1077 -0.75,1078 12.937,1079 -0.773,1080 8.202,1081 9.652,1082 0.336,1083 16.312,1084 8.041,1085 11.589,1086 -0.894,1087 14.893,1088 -1.934,1089 9.293,1090 10.864,1092 18.86,1093 9.087,1094 13.085,1095 -1,1096 16.872,1097 -1.956,1098 10.609,1099 12.494,1100 0.21,1101 21.558,1102 10.38,1103 3.649,1104 -1.172,1105 18.869,1106 -2.214,1107 11.821,1108 13.868,1110 24.193,1111 11.553,1112 3.02,1113 14.626,1114 20.88,1115 -3.462,1116 13.104,1117 15.427,1118 0.128,1119 26.873,1120 12.808,1121 2.316,1122 10.581,1123 22.9,1124 4.593,1125 14.36,1126 16.877,1128 29.537,1129 14.028,1130 1.888,1131 7.781,1132 24.929,1133 3.792,1134 15.639,1135 18.409,1136 0.077,1137 32.216,1138 15.276,1139 1.684,1140 6.045,1141 26.964,1142 3.069,1143 16.912,1144 19.895,1146 34.891,1147 16.515,1148 1.414,1149 4.689,1150 29.005,1151 2.528,1152 18.194,1153 21.417,1154 0.046,1155 37.571,1156 17.765,1157 1.389,1158 3.056,1159 31.05,1160 2.098,1161 19.475,1162 22.92,1164 40.25,1165 19.013,1166 3194,1167 4566,1168 14.216,1169 27.08,1170 33.546,1171 33.655,1172 36.009,1173 33.523,1174 33.484,1175 42.043,1176 1.529,1177 105.622,1178 32.766,1179 5.723,1180 5.959,1181 7.715,1182 5.663,1183 5.649,1184 7.593,1185 1.529,1186 22.928,1187 5.536,1188 10.311,1189 1.525,1190 1.53,1191 1.637,1192 1.524,1193 1.522,1194 1.911,1195 0.07,1196 4.801,1197 1.489,1198 4.131,1199 4.158,1200 4.094,1201 4.058,1202 6.447,1203 4.063,1204 3.81,1205 3.849,1206 3.719,1207 3.728,1208 5.14,1209 3.721,1210 3.599,1211 3.669,1212 3.422,1213 3.472,1214 4.776,1215 3.451,1216 3.311,1217 3.382,1218 3.18,1219 3.17,1220 4.367,1221 3.164,1222 3.18,1223 3.267,1224 3.005,1225 2.99,1226 4.136,1227 2.976,1228 3.02,1229 3.11,1230 2.852,1231 2.842,1232 4.01,1233 2.837,1234 2.849,1235 2.954,1236 2.614,1237 2.668,1238 3.698,1239 2.643,1240 2.732,1241 2.819,1242 2.517,1243 2.482,1244 3.575,1245 2.477,1246 0.219,1247 0.18,1248 0.358,1249 0.21,1250 0.166,1251 4.817,1252 0.209,1253 3.959,1254 0.035,1255 7.875,1256 0.665,1257 4.619,1258 0.161,1259 3.649,1260 4.593,1261 0.765,1262 14.626,1263 3.536,1264 2.036,1265 2.014,1266 2.103,1267 2.12,1268 1.355,1269 2.116,1270 1.775,1271 1.727,1272 2.003,1273 1.928,1274 1.259,1275 1.954,1276 1.597,1277 1.539,1278 1.861,1279 1.762,1280 1.128,1281 1.8,1282 1.49,1283 1.443,1284 1.667,1285 1.634,1286 0.862,1287 1.648,1288 1.158,1289 1.07,1290 1.512,1291 1.413,1292 0.651,1293 1.45,1294 0.992,1295 0.923,1296 1.267,1297 1.257,1298 0.389,1299 1.263,1300 0.87,1301 0.78,1302 1.235,1303 1.145,1304 0.283,1305 1.193,1306 0.762,1307 0.675,1308 1.112,1309 1.045,1310 0.205,1311 1.067,1312 3.807,1314 5.176,1315 2.398,1316 6.772,1317 4.949,1318 8.473,1319 7.222,1320 10.23,1322 4.244,1326 6.331,1327 11.109,1328 3.67,1332 0.177,1334 -0.816,1340 25.026,1341 56.883,1342 143.119,1343 181.458,1344 204.968,1345 206.968,1346 206.968,1347 37.549,1348 6.92,1349 59.14,1350 59.14,1351 17,1352 12.671,1353 3.585,1354 2.7,1355 29.702,1356 52,1357 63,1358 0.302,1359 154.608,1360 261.37,1361 369.003,1362 7680,1364 14.328,1365 0.716,1366 0.609,1367 14.328,1368 12.187,1369 9.576,1370 0.435,1371 0.34,1372 7.435,1373 9.429,1374 7.184,1375 6.004,1376 9.576,1377 7.475,1378 8.82,1379 0.267,1380 0.182,1381 8.82,1382 6.003,1383 8.06,1384 0.168,1385 0.098,1386 8.06,1387 4.685,1388 6.576,1389 0.101,1390 0.052,1391 6.576,1392 3.361,1393 5.621,1394 0.065,1395 0.029,1396 5.621,1397 2.481,1398 0.443,1399 58.65,1400 0.265,1401 19.167,1402 0.932,1403 110,1404 231.107,1405 115.849,1406 233.407,1407 330.89,1408 218,1409 136,1410 256.692,1411 142.875,1412 263.556,1413 395.1,1414 250,1415 4.041}
{0 CHEMBL119634,1 1.378,2 8.227,3 4.257,4 18.124,5 88.788,6 7.26,7 0.68,8 3.793,9 3.907,10 3.357,11 3.413,12 4.865,13 3.378,14 4.317,15 4.472,16 3.723,17 3.825,18 5.302,19 3.771,20 4.587,21 4.767,22 3.914,23 4.038,24 5.556,25 3.969,26 4.694,27 4.898,28 3.829,29 4.041,30 5.675,31 3.941,32 4.712,33 4.951,34 3.668,35 3.977,36 5.609,37 3.852,38 4.596,39 4.844,40 3.421,41 3.811,42 5.444,43 3.652,44 4.425,45 4.699,46 3.134,47 3.579,48 5.212,49 3.401,50 4.174,51 4.478,52 2.66,53 3.186,54 4.933,55 2.965,56 0.038,57 0.543,58 8.249,59 3.714,60 8.19,61 4.869,62 0.098,63 0.89,64 15.084,65 6.541,66 12.998,67 8.626,68 0.115,69 1.189,70 20.18,71 8.484,72 17.046,73 11.533,74 0.182,75 1.355,76 23.073,77 9.011,78 27.918,79 12.485,80 0.222,81 1.339,82 24.755,83 9.281,84 30.504,85 12.961,86 0.208,87 1.127,88 22.356,89 9.051,90 26.849,91 12.591,92 0.138,93 0.93,94 19.399,95 7.838,96 21.907,97 10.992,98 0.16,99 0.711,100 15.68,101 6.053,102 21.345,103 8.686,104 6,105 36,106 0.242,107 0.611,108 0.758,109 0.853,110 0.88,111 0.88,112 3.149,113 0.914,114 -4.77,115 -4.69,116 -4.4,121 47.5,123 3,126 1,144 7,145 4,146 2,148 2,165 1,166 1,167 1,176 12,180 6,185 2,187 15,189 2,192 7,197 2,200 14,203 2,206 7,208 1,209 1,211 4,214 12,216 4,219 1,224 4,227 13,229 4,231 1,232 2,237 2,239 14,241 2,251 9,256 2,258 1,259 1,264 2,269 2,281 542,282 15.301,283 15.301,284 15.301,285 15.301,286 15.301,287 13.3,288 12.92,289 8.886,290 15.541,291 12.281,292 12.281,293 12.281,294 12.281,295 12.281,296 9.166,297 11.588,298 4.12,299 12.591,300 3.944,301 1.846,302 1.01,303 0.469,304 0.319,305 0.319,306 3.853,311 1,312 1,313 402,314 2.236,318 98.273,319 33.882,322 55.253,323 111.439,325 1.269,326 13.133,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 46,338 181,339 4.68,340 3.372,341 6.906,342 4.266,343 3.283,344 4.59,345 0.86,346 11.571,347 3.229,348 4.303,349 3.029,350 6.415,351 3.889,352 2.899,353 3.998,355 9.826,356 2.869,357 3.848,358 2.684,359 5.832,360 3.433,361 2.458,362 3.361,364 7.929,365 2.4,366 3.577,367 2.46,368 5.375,369 3.177,370 2.222,371 2.96,373 6.758,374 2.111,375 3.293,376 2.127,377 5.087,378 2.922,379 1.952,380 2.577,382 5.837,383 1.889,384 2.928,385 1.745,386 4.492,387 2.611,388 1.622,389 2.129,391 4.299,392 1.601,393 2.907,394 1.46,395 3.8,396 2.434,397 1.442,398 2.036,400 3.111,401 1.429,402 2.457,403 1.187,404 3.726,405 2.082,406 1.088,407 1.44,409 2.624,410 1.08,411 2.299,412 1.061,413 3.532,414 1.946,415 0.966,416 1.26,418 2.374,419 0.944,420 1.67,421 0.935,422 3.119,423 1.394,424 0.511,425 0.571,427 0.884,428 0.445,429 1.524,430 0.517,431 2.936,432 1.257,433 0.295,434 0.345,436 0.711,437 0.283,438 1.187,439 0.071,440 2.686,441 0.847,442 -0.123,443 -0.147,445 -0.276,446 -0.118,447 1.041,448 -0.149,449 2.649,450 0.71,451 -0.259,452 -0.332,454 -0.657,455 -0.251,456 0.709,457 -0.438,458 2.225,459 0.285,460 -0.679,461 -0.904,463 -1.615,464 -0.647,465 0.583,466 -0.776,467 2.144,468 0.131,469 -0.854,470 -1.169,472 -2.076,473 -0.837,474 10.633,475 0.483,476 0.483,477 0.022,478 30.75,479 1.398,480 17,481 0.773,482 13.75,483 0.625,484 16.311,485 0.741,486 22.367,487 0.559,488 20.352,489 0.925,490 5.895,491 0.268,492 4.88,493 0.222,494 0.085,496 0.376,501 0.928,502 0.995,503 0.809,504 0.913,505 1.065,506 0.855,507 1.112,508 0.997,509 0.835,510 0.89,511 0.793,512 0.852,513 0.879,514 1.113,515 0.847,516 0.959,517 0.784,518 0.911,519 0.961,520 1.214,521 1.126,522 1.142,523 1.168,524 1.14,525 1.149,526 0.976,527 1.14,528 0.988,529 1.333,530 1.038,531 0.855,532 1.009,533 1.091,534 1.107,535 0.981,536 1.123,537 0.836,538 0.95,539 0.989,540 1.026,541 0.886,542 1.028,543 0.663,544 0.887,545 0.962,546 1.023,547 0.624,548 1.022,549 3.5,550 0.021,551 2.667,552 1.875,553 1.726,554 0.92,555 0.347,556 0.202,557 0.139,558 0.046,559 4558,560 10312,561 2.176,562 45,563 6,564 10,567 2,572 1.651,573 2.063,574 2.997,575 0.214,577 1,582 55.108,583 1.378,584 3.476,585 4.312,586 4.853,587 5.003,588 5.003,589 2.441,590 4.459,591 4.431,592 3.072,593 709.558,594 7.642,595 7283.16,597 1,599 1,600 212.877,601 1.322,602 4.403,603 0.14,604 0.007,605 0.074,606 0.044,607 0.047,608 0.03,609 0.015,610 0.012,611 0.015,612 0.008,613 0.391,614 0.83,615 1,616 0.72,617 97.73,618 -0.044,619 0.072,620 0.051,621 0.061,622 -0.108,623 0.068,624 -0.066,625 0.008,626 0.077,627 0.096,628 0.028,629 0.096,630 -0.01,631 -0.095,632 0.073,633 0.014,634 0.069,635 0.042,636 -0.057,637 -0.158,638 -0.187,639 -0.203,640 -0.084,641 -0.208,642 -0.17,643 0.052,644 -0.163,645 -0.041,646 -0.22,647 -0.087,648 0.052,649 -0.072,650 -0.11,651 -0.121,652 -0.012,653 -0.13,654 0.003,655 -0.047,656 0.013,657 -0.026,658 -0.022,659 -0.01,660 0.224,661 0.006,662 0.077,663 -0.03,664 0.212,665 0.005,666 0.788,667 2.458,668 0.864,669 14.207,670 0.99,671 1.113,672 3.543,673 12.554,674 0.689,675 3.258,676 3.611,677 3.97,678 4.29,679 4.605,680 4.779,681 4.934,682 5.088,683 5.226,684 5.283,685 4.683,686 0.649,687 290.39,688 3.258,689 4.812,690 5.7,691 6.605,692 7.512,693 8.425,694 9.337,695 10.254,696 11.169,697 12.088,698 5,702 1,708 1,714 2,715 7,716 1,720 6,722 17,733 1,739 1,741 40,743 17,744 2,745 25,747 43,748 19,749 15,750 5,751 7,756 4,757 10,767 3,770 3,772 15,773 4,790 1,793 18,794 3,795 2,796 3,802 2,808 0.25,809 1,822 1,829 3,830 1,833 1,834 2,859 1,864 1,868 22,869 1,876 3,878 1,893 2.5,898 1,901 10.667,902 7.533,903 4.833,904 2.461,907 3.652,908 1.478,909 1.049,910 3.179,911 11.284,912 3.541,913 4.22,914 4.911,915 5.569,916 6.219,917 6.627,918 7.101,919 7.561,920 8.006,921 8.287,922 0.833,923 43,924 8.121,926 3.495,927 0.026,929 7.515,931 15.915,933 13.558,936 2.015,937 44.333,938 0.001,940 1,941 188.338,942 109.851,943 49.683,945 11,948 109.851,949 199.338,950 49.683,951 10.883,952 7.604,953 99.231,954 16.786,955 36.031,957 188.338,959 188.338,960 159.534,961 11,964 188.338,965 11,968 12.504,969 130.244,970 16.786,972 188.338,973 60.683,974 109.851,977 188.338,978 32.634,979 77.217,981 60.683,982 188.338,983 60.683,984 109.851,986 0.582,987 0.364,988 0.208,989 0.119,990 20,991 8,992 0.023,993 1,994 3,995 1.316,996 3.331,997 190.633,998 0.316,999 19,1000 98.107,1005 13.443,1006 5.202,1007 2.14,1008 2.014,1009 60.683,1010 14.338,1011 4.913,1015 6.472,1017 32.897,1018 358.871,1019 33.5,1031 39.6,1032 44.528,1034 0.259,1035 0.653,1036 0.81,1037 0.912,1038 0.94,1039 0.94,1040 4.781,1041 1.088,1042 5.694,1043 3.111,1044 4.29,1045 4.905,1046 0.908,1047 6.564,1048 4.247,1049 6.012,1050 0.966,1051 7.286,1052 2.624,1053 3.892,1054 4.808,1056 7.57,1057 3.829,1058 7.347,1059 0.511,1060 8.981,1061 2.374,1062 5.932,1063 7.224,1064 0.739,1065 10.727,1066 5.856,1067 8.722,1068 0.295,1069 10.738,1070 0.884,1071 6.382,1072 7.968,1074 12.559,1075 6.286,1076 10.131,1077 -0.123,1078 12.533,1079 0.711,1080 7.874,1081 9.847,1082 0.593,1083 15.239,1084 7.771,1085 11.564,1086 -0.259,1087 14.356,1088 -0.276,1089 8.717,1090 10.986,1092 17.409,1093 8.596,1094 13.015,1095 -0.679,1096 16.197,1097 -0.657,1098 9.999,1099 12.647,1100 0.469,1101 19.929,1102 9.869,1103 3.283,1104 -0.854,1105 18.052,1106 -1.615,1107 11.023,1108 13.977,1110 22.245,1111 10.875,1112 2.899,1113 11.571,1114 19.918,1115 -2.076,1116 12.227,1117 15.547,1118 0.366,1119 24.708,1120 12.068,1121 2.458,1122 9.826,1123 21.793,1124 4.59,1125 13.332,1126 16.971,1128 27.089,1129 13.156,1130 2.222,1131 7.929,1132 23.675,1133 3.998,1134 14.51,1135 18.503,1136 0.283,1137 29.534,1138 14.321,1139 1.952,1140 6.758,1141 25.563,1142 3.361,1143 15.653,1144 19.972,1146 31.945,1147 15.447,1148 1.622,1149 5.837,1150 27.457,1151 2.96,1152 16.825,1153 21.49,1154 0.217,1155 34.385,1156 16.604,1157 1.442,1158 4.299,1159 29.354,1160 2.577,1161 17.985,1162 22.982,1164 36.812,1165 17.747,1166 4326,1167 6591,1168 17.107,1169 27.557,1170 37.491,1171 38.091,1172 39.082,1173 37.434,1174 37.477,1175 50.536,1176 1.72,1177 111.849,1178 36.559,1179 5.551,1180 5.372,1181 6.587,1182 5.31,1183 5.283,1184 7.59,1185 1.72,1186 19.255,1187 5.229,1188 8.063,1189 1.5,1190 1.524,1191 1.563,1192 1.497,1193 1.499,1194 2.021,1195 0.069,1196 4.474,1197 1.462,1198 4.128,1199 4.154,1200 4.093,1201 4.064,1202 5.15,1203 4.068,1204 3.896,1205 3.919,1206 3.842,1207 3.839,1208 4.864,1209 3.836,1210 3.581,1211 3.627,1212 3.475,1213 3.478,1214 4.759,1215 3.47,1216 3.343,1217 3.406,1218 3.209,1219 3.222,1220 4.44,1221 3.211,1222 3.243,1223 3.308,1224 3.094,1225 2.994,1226 4.181,1227 3.009,1228 3.047,1229 3.134,1230 2.912,1231 2.854,1232 3.975,1233 2.855,1234 2.916,1235 2.994,1236 2.754,1237 2.785,1238 3.712,1239 2.769,1240 2.752,1241 2.836,1242 2.586,1243 2.629,1244 3.572,1245 2.61,1246 0.187,1247 0.135,1248 0.276,1249 0.171,1250 0.131,1251 4.68,1252 0.184,1253 3.372,1254 0.034,1255 6.906,1256 0.463,1257 4.266,1258 0.129,1259 3.283,1260 4.59,1261 0.86,1262 11.571,1263 3.229,1264 2.059,1265 2.039,1266 2.122,1267 2.139,1268 1.312,1269 2.136,1270 1.9,1271 1.878,1272 2.018,1273 1.986,1274 1.264,1275 1.996,1276 1.643,1277 1.597,1278 1.844,1279 1.77,1280 1.032,1281 1.799,1282 1.348,1283 1.302,1284 1.594,1285 1.568,1286 0.664,1287 1.576,1288 1.165,1289 1.09,1290 1.486,1291 1.438,1292 0.554,1293 1.459,1294 1.007,1295 0.94,1296 1.259,1297 1.254,1298 0.379,1299 1.257,1300 0.936,1301 0.868,1302 1.202,1303 1.135,1304 0.243,1305 1.17,1306 0.793,1307 0.734,1308 1.078,1309 0.997,1310 0.143,1311 1.033,1312 3.932,1314 5.273,1316 6.832,1317 2.708,1318 8.494,1319 5.293,1320 10.21,1322 1.704,1326 6.458,1328 3.075,1330 5.358,1340 25.972,1341 55.108,1342 139.045,1343 172.471,1344 194.122,1345 200.122,1346 200.122,1347 25.945,1348 7.632,1349 48.14,1350 48.14,1351 25,1352 12.598,1353 4.17,1354 3.248,1355 29.698,1356 62,1357 72,1358 0.247,1359 157.617,1360 264.79,1361 376.346,1362 20646,1364 15.104,1365 0.687,1366 0.573,1367 15.104,1368 12.596,1369 10.775,1370 0.431,1371 0.305,1372 7.554,1373 10.526,1374 7.346,1375 6.087,1376 10.775,1377 7.621,1378 9.573,1379 0.266,1380 0.16,1381 9.573,1382 5.746,1383 8.833,1384 0.17,1385 0.086,1386 8.833,1387 4.478,1388 7.689,1389 0.107,1390 0.046,1391 7.689,1392 3.343,1393 6.647,1394 0.067,1395 0.025,1396 6.647,1397 2.503,1398 0.367,1399 66.463,1400 0.242,1401 20.93,1402 0.744,1403 122,1404 290.693,1405 127.959,1406 289.234,1407 413.62,1408 274,1409 149,1410 318.207,1411 155.321,1412 328.223,1413 485.1,1414 310,1415 4.162}
{0 CHEMBL1196495,1 1.363,2 13.185,3 4.267,4 18.211,5 106.932,6 6.769,7 0.4,8 4.07,9 4.182,10 3.568,11 3.622,12 5.035,13 3.582,14 4.664,15 4.838,16 3.893,17 4.027,18 5.568,19 3.959,20 4.963,21 5.185,22 3.923,23 4.178,24 5.84,25 4.062,26 4.99,27 5.249,28 3.731,29 4.124,30 5.784,31 3.963,32 4.922,33 5.199,34 3.679,35 4.038,36 5.726,37 3.876,38 4.808,39 5.058,40 3.622,41 3.96,42 5.694,43 3.813,44 4.737,45 4.98,46 3.486,47 3.886,48 5.592,49 3.729,50 4.658,51 4.924,52 3.358,53 3.781,54 5.389,55 3.608,56 0.03,57 0.719,58 12.306,59 5.573,60 5.406,61 7.346,62 0.186,63 1.229,64 23.69,65 9.253,66 17.454,67 12.498,68 0.4,69 1.558,70 32.975,71 12.53,72 39.865,73 17.243,74 0.291,75 1.573,76 34.053,77 13,78 38.487,79 18.328,80 0.356,81 1.457,82 31.979,83 12.118,84 40.204,85 17.36,86 0.358,87 1.296,88 28.475,89 10.84,90 41.846,91 15.122,92 0.323,93 1.194,94 26.523,95 10.176,96 38.965,97 14.008,98 0.197,99 1.109,100 24.367,101 9.49,102 25.043,103 13.371,104 2,105 40,106 0.227,107 0.523,108 0.724,109 0.809,110 0.823,111 0.83,112 3.339,113 0.997,114 -4.53,115 -4.46,116 -4.2,121 42.6,123 4,124 1,127 5,144 8,145 2,146 2,159 1,176 13,180 7,187 13,191 1,192 10,200 9,206 7,214 6,218 1,219 5,227 10,231 1,232 2,239 12,243 1,244 3,251 9,256 5,264 5,269 4,277 4,281 1130,282 18.723,283 18.723,284 18.723,285 18.723,286 18.723,287 17.156,288 21.862,289 11.351,290 19.068,291 14.848,292 14.848,293 14.848,294 14.848,295 14.848,296 12.444,297 25.437,298 5.456,299 15.388,300 4.392,301 2.62,302 1.412,303 0.903,304 0.815,305 0.778,306 4.044,311 1,312 1,313 787,314 3,318 351.269,322 134.967,325 2.118,326 21.721,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 57.5,338 356,339 4.334,340 3.609,341 6.25,342 3.951,343 2.976,344 3.975,345 1.277,346 9.417,347 2.926,348 3.942,349 3.219,350 5.899,351 3.694,352 2.73,353 3.457,354 0.916,355 8.157,356 2.636,357 3.898,358 3.017,359 5.616,360 3.58,361 2.598,362 3.239,363 0.86,364 7.783,365 2.526,366 3.595,367 2.557,368 5.329,369 3.442,370 2.446,371 2.634,372 0.86,373 6.937,374 2.429,375 3.178,376 2.228,377 4.955,378 3.026,379 2.072,380 2.25,381 0.172,382 5.867,383 1.967,384 2.924,385 2.196,386 4.448,387 2.537,388 1.618,389 2.063,391 4.433,392 1.51,393 2.885,394 2.052,395 4.167,396 2.52,397 1.554,398 1.974,400 3.791,401 1.465,402 2.805,403 1.684,404 3.608,405 2.411,406 1.42,407 1.863,409 3.042,410 1.404,411 2.5,412 1.52,413 3.591,414 2.259,415 1.298,416 1.5,418 2.934,419 1.23,420 2.451,421 1.09,422 3.414,423 2,424 1,425 1.444,427 2.275,428 1,429 2,430 1.077,431 3.247,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.884,439 1,440 3.188,441 1.648,442 0.701,443 0.805,445 1.618,446 0.652,447 1.743,448 0.993,449 3.07,450 1.496,451 0.523,452 0.599,454 1.225,455 0.507,456 1.216,457 0.374,458 2.766,459 1.03,460 0.046,461 0.051,463 0.114,464 0.045,465 0.868,466 0.065,467 2.393,468 0.51,469 -0.448,470 -0.517,472 -1.08,473 -0.419,474 12.9,475 0.478,476 0.482,477 0.018,478 31.5,479 1.167,480 14.5,481 0.537,482 17,483 0.63,484 24.03,485 0.89,486 29.7,487 0.55,488 20.574,489 0.762,490 5.945,491 0.22,492 7.331,493 0.272,494 0.026,496 0.264,501 0.752,502 1.286,503 0.851,504 1.166,505 0.562,506 1.042,507 1.152,508 1.114,509 1.041,510 1.065,511 0.704,512 1.032,513 1.034,514 1.062,515 1.056,516 1.05,517 0.921,518 1.053,519 0.869,520 1.062,521 1.026,522 1.057,523 1.108,524 1.061,525 0.612,526 0.913,527 0.854,528 0.918,529 0.903,530 0.914,531 0.875,532 0.974,533 1.001,534 1.002,535 1.389,536 1.014,537 1.085,538 1.01,539 1.125,540 1.047,541 1.66,542 1.091,543 0.787,544 1.055,545 0.985,546 1.057,547 0.862,548 1.052,549 4.5,550 0.099,551 2.444,552 0.875,553 1.249,554 0.618,555 0.343,556 0.266,557 0.176,558 0.102,559 10960,560 24289,561 2.165,562 50,563 3,564 18,568 2,569 4,572 1.692,573 2.104,574 3.68,575 -0.843,577 1,582 73.585,583 1.363,584 3.135,585 4.343,586 4.852,587 4.94,588 4.977,589 3.134,590 4.385,591 4.727,592 3.848,593 1350.54,594 8.158,595 18485.1,597 1,599 1,600 310.764,601 1.038,602 4.719,603 0.15,604 0.005,605 0.061,606 0.022,607 0.04,608 0.021,609 0.012,610 0.011,611 0.008,612 0.005,613 0.336,614 0.33,615 1,616 0.352,617 137.806,618 0.017,619 -0.123,620 0.075,621 -0.054,622 0.023,623 0.006,624 -0.103,625 -0.008,626 -0.064,627 -0.044,628 -0.009,629 -0.044,630 0.009,631 -0.05,632 -0.072,633 -0.06,634 0.032,635 -0.073,636 -0.042,637 -0.089,638 -0.06,639 -0.082,640 -0.042,641 -0.075,642 0.124,643 0.047,644 0.108,645 0.048,646 0.085,647 0.074,648 0.061,649 -0.004,650 -0.024,651 -0.023,652 -0.018,653 -0.032,654 -0.063,655 -0.051,656 -0.143,657 -0.063,658 -0.183,659 -0.11,660 -0.014,661 -0.108,662 -0.026,663 -0.076,664 -0.068,665 -0.058,666 1.46,667 5.572,668 0.815,669 28.936,670 0.992,671 1.121,672 3.305,673 10.923,674 0.653,675 3.434,676 3.714,677 3.951,678 4.159,679 4.407,680 4.357,681 4.443,682 4.522,683 4.585,684 4.533,685 7.646,686 0.611,687 365.51,688 3.434,689 4.949,690 5.778,691 6.624,692 7.466,693 8.315,694 9.161,695 10.012,696 10.861,697 11.713,698 1.9,701 1,715 8,720 4,722 12,727 1,739 2,741 54,743 13,744 2,745 30,747 57,748 23,749 12,750 4,751 8,752 1,756 4,757 5,767 2,768 1,770 4,772 13,773 10,774 1,777 1,782 1,786 1,790 1,793 27,794 4,796 4,802 1,808 0.75,809 3,829 4,833 1,855 1,859 3,868 27,876 9,878 2,880 1,881 1,893 5.6,896 1,898 2,901 12.833,902 9.45,903 5.972,904 3.522,907 2.006,908 1.268,909 0.977,910 5.981,911 9.488,912 3.638,913 4.127,914 4.605,915 5.056,916 5.545,917 5.549,918 5.738,919 5.793,920 5.907,921 5.842,922 0.889,923 39,924 10.064,926 4.266,927 0.026,929 7.543,931 19.898,933 16.765,936 2.043,937 55.167,939 1,940 1,941 317.82,942 123.441,943 3.124,945 47.145,948 123.441,949 364.964,950 3.124,952 25.64,953 75.81,954 30.278,955 41.982,957 317.82,959 317.82,960 126.566,961 47.145,964 270.735,965 94.229,968 28.764,969 97.801,972 317.82,973 50.269,974 123.441,977 317.82,978 47.631,979 78.934,981 47.145,982 317.82,983 50.269,984 123.441,986 0.571,987 0.327,988 0.172,989 0.098,990 19,991 7,992 0.105,993 6,994 1,995 1.091,996 4.155,997 218.971,998 0.091,999 22,1000 120.382,1005 18.367,1006 8.792,1007 4.838,1009 50.269,1010 16.198,1015 3.551,1018 491.53,1019 37,1024 12.572,1028 0.207,1031 53.571,1032 60.524,1034 0.237,1035 0.545,1036 0.755,1037 0.843,1038 0.858,1039 0.865,1040 4.86,1041 1.42,1042 5.72,1043 3.791,1044 4.394,1045 4.812,1046 2.166,1047 6.45,1048 4.334,1049 5.998,1050 1.298,1051 7.223,1052 3.042,1053 3.761,1054 4.369,1055 0.325,1056 7.154,1057 3.693,1058 7.258,1059 1,1060 8.822,1061 2.934,1062 5.911,1063 6.831,1064 2.248,1065 10.213,1066 5.801,1067 8.547,1068 1,1069 10.48,1070 2.275,1071 6.111,1072 7.231,1073 0.393,1074 11.75,1075 5.999,1076 9.871,1077 0.701,1078 12.174,1079 2.136,1080 7.679,1081 9.157,1082 2.486,1083 14.28,1084 7.529,1085 11.218,1086 0.523,1087 13.894,1088 1.618,1089 8.288,1090 9.968,1091 0.384,1092 16.172,1093 8.132,1094 12.583,1095 0.046,1096 15.632,1097 1.225,1098 9.587,1099 11.645,1100 2.829,1101 18.506,1102 9.4,1103 2.976,1104 -0.448,1105 17.384,1106 0.114,1107 10.41,1108 12.681,1109 0.351,1110 20.564,1111 10.212,1112 2.73,1113 9.417,1114 19.146,1115 -1.08,1116 11.579,1117 14.226,1118 3.238,1119 22.822,1120 11.356,1121 2.598,1122 8.157,1123 20.915,1124 3.975,1125 12.515,1126 15.393,1127 0.312,1128 24.962,1129 12.277,1130 2.446,1131 7.783,1132 22.692,1133 3.457,1134 13.623,1135 16.862,1136 3.684,1137 27.193,1138 13.364,1139 2.072,1140 6.937,1141 24.473,1142 3.239,1143 14.619,1144 18.109,1145 0.273,1146 29.375,1147 14.345,1148 1.618,1149 5.867,1150 26.259,1151 2.634,1152 15.701,1153 19.536,1154 4.15,1155 31.599,1156 15.408,1157 1.554,1158 4.433,1159 28.05,1160 2.25,1161 16.731,1162 20.832,1163 0.236,1164 33.804,1165 16.421,1166 10131,1167 15232,1168 20.86,1169 35.267,1170 44.212,1171 45.396,1172 44.428,1173 44.002,1174 43.966,1175 53.706,1176 8.173,1177 119.46,1178 42.56,1179 5.334,1180 5.609,1181 6.052,1182 5.092,1183 4.976,1184 6.975,1185 2.555,1186 15.798,1187 4.926,1188 6.519,1189 1.474,1190 1.513,1191 1.481,1192 1.467,1193 1.466,1194 1.79,1195 0.272,1196 3.982,1197 1.419,1198 4.002,1199 4.034,1200 3.94,1201 3.904,1202 7.427,1203 3.907,1204 3.93,1205 3.956,1206 3.857,1207 3.849,1208 4.939,1209 3.847,1210 3.821,1211 3.866,1212 3.708,1213 3.716,1214 4.755,1215 3.707,1216 3.572,1217 3.609,1218 3.472,1219 3.377,1220 4.325,1221 3.392,1222 3.392,1223 3.457,1224 3.238,1225 3.214,1226 4.285,1227 3.211,1228 3.189,1229 3.25,1230 3.053,1231 3.031,1232 4.208,1233 3.026,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.893,1239 2.91,1240 2.944,1241 2.996,1242 2.801,1243 2.785,1244 3.674,1245 2.78,1246 0.144,1247 0.12,1248 0.208,1249 0.132,1250 0.099,1251 4.334,1252 0.132,1253 3.609,1254 0.043,1255 6.25,1256 0.314,1257 3.951,1258 0.098,1259 2.976,1260 3.975,1261 1.277,1262 9.417,1263 2.926,1264 1.943,1265 1.916,1266 2.105,1267 2.075,1268 1.484,1269 2.087,1270 1.914,1271 1.89,1272 2.026,1273 2.029,1274 1.179,1275 2.022,1276 1.827,1277 1.782,1278 1.983,1279 1.947,1280 1.125,1281 1.967,1282 1.516,1283 1.473,1284 1.749,1285 1.74,1286 1.005,1287 1.742,1288 1.381,1289 1.318,1290 1.653,1291 1.587,1292 0.901,1293 1.613,1294 1.18,1295 1.119,1296 1.513,1297 1.383,1298 0.825,1299 1.429,1300 1.153,1301 1.064,1302 1.452,1303 1.376,1304 0.68,1305 1.408,1306 0.927,1307 0.876,1308 1.196,1309 1.142,1310 0.416,1311 1.158,1312 4.111,1314 5.398,1316 6.887,1318 8.459,1320 10.072,1328 8.354,1330 11.112,1332 0.651,1333 2.522,1340 33.014,1341 73.585,1342 169.298,1343 234.499,1344 262.009,1345 266.764,1346 268.764,1347 42.976,1348 7.482,1349 38.77,1350 38.77,1351 24,1352 12.27,1353 3.807,1354 3,1355 40.629,1356 126,1357 113,1358 0.155,1359 200.112,1360 354.11,1361 480.033,1362 20700,1364 18.476,1365 0.684,1366 0.583,1367 18.476,1368 15.732,1369 13.276,1370 0.443,1371 0.332,1372 9.856,1373 12.843,1374 9.667,1375 7.942,1376 13.276,1377 9.969,1378 11.559,1379 0.289,1380 0.188,1381 11.559,1382 7.525,1383 9.773,1384 0.192,1385 0.11,1386 9.773,1387 5.6,1388 7.811,1389 0.124,1390 0.063,1391 7.811,1392 3.971,1393 6.629,1394 0.082,1395 0.037,1396 6.629,1397 2.969,1398 0.253,1399 82.662,1400 0.219,1401 26.766,1402 0.396,1403 140,1404 368.852,1405 151.271,1406 348.277,1407 475.92,1408 330,1409 161,1410 341.658,1411 173.187,1412 343.555,1413 502.07,1414 325,1415 7.52}
{0 CHEMBL1200541,1 1.502,2 15.056,3 2.187,4 4.781,5 147.339,6 6.893,7 0.324,8 4.394,9 4.539,10 3.874,11 3.883,12 5.366,13 3.821,14 4.984,15 5.208,16 4.235,17 4.286,18 5.881,19 4.193,20 5.318,21 5.562,22 4.417,23 4.555,24 6.242,25 4.416,26 5.52,27 5.78,28 4.351,29 4.661,30 6.319,31 4.475,32 5.63,33 5.934,34 4.403,35 4.678,36 6.405,37 4.488,38 5.545,39 5.816,40 4.421,41 4.66,42 6.441,43 4.476,44 5.458,45 5.713,46 4.238,47 4.49,48 6.496,49 4.317,50 5.256,51 5.523,52 4.019,53 4.174,54 6.385,55 4.059,56 0.06,57 1.077,58 18.443,59 7.097,60 10.276,61 10.432,62 0.39,63 1.699,64 36.009,65 11.364,66 31.675,67 17.328,68 0.704,69 2.168,70 53.228,71 17.373,72 77.497,73 25.15,74 0.59,75 2.484,76 68.317,77 21.563,78 66.549,79 31.291,80 0.789,81 2.631,82 73.095,83 22.414,84 85.526,85 33.297,86 0.816,87 2.388,88 75.331,89 22.098,90 85.028,91 31.356,92 0.787,93 2.079,94 71.913,95 19.318,96 114.662,97 27.241,98 0.802,99 1.688,100 50.763,101 12.783,102 128.2,103 18.793,104 81,105 50,106 0.233,107 0.475,108 0.625,109 0.679,110 0.687,111 0.687,112 3.615,113 1.137,114 2.12,115 1.87,116 1.46,121 35.9,122 4,127 10,144 8,145 2,146 2,160 2,176 8,183 2,187 12,189 6,191 1,195 2,196 1,199 2,200 8,203 2,214 8,216 6,221 2,224 6,227 4,229 2,234 2,237 2,238 2,239 12,244 6,249 6,251 4,256 8,261 8,269 8,274 2,280 1,281 2532,282 24.018,283 24.018,284 24.018,285 24.018,286 24.018,287 22.164,288 31.964,289 13.775,290 24.754,291 17.757,292 17.757,293 17.757,294 17.757,295 17.757,296 15.03,297 36.91,298 6.016,299 18.863,300 4.783,301 3.224,302 2.257,303 1.911,304 1.859,305 1.859,306 4.279,308 2,312 1,313 1104,314 5.657,318 317.38,325 2.167,326 33.54,329 0.75,330 0.5,331 0.67,332 0.8,333 1,334 0.67,335 0.5,336 0.7,337 76.667,338 542,339 4.394,340 3.825,341 7.207,342 4.264,343 3.35,344 3.804,345 1.26,346 12.631,347 3.061,348 4.393,349 3.733,350 7.207,351 4.263,352 3.349,353 3.804,354 1.26,355 12.631,356 3.06,357 4.062,358 3.73,359 5.992,360 3.725,361 2.724,362 3.341,363 1.058,364 8.425,365 2.735,366 4.054,367 3.123,368 5.992,369 3.648,370 2.714,371 3.265,372 1.058,373 8.425,374 2.507,375 4.023,376 3.122,377 5.872,378 3.645,379 2.694,380 3.256,381 0.245,382 7.93,383 2.505,384 2.901,385 2.893,386 4.243,387 2.612,388 1.653,389 2.058,390 0.245,391 3.899,392 1.573,393 2.886,394 1.943,395 4.236,396 2.449,397 1.464,398 2.057,400 3.796,401 1.445,402 2.876,403 1.942,404 4.132,405 2.441,406 1.453,407 1.954,409 3.741,410 1.437,411 2.827,412 1.588,413 3.751,414 2.339,415 1.414,416 1.951,418 2.976,419 1.231,420 2.823,421 1.586,422 3.618,423 2.338,424 1.414,425 1.854,427 2.973,428 1.229,429 2.254,430 1.501,431 3.612,432 2.158,433 1.191,434 1.23,436 2.563,437 1.146,438 2.124,439 1.501,440 3.571,441 1.831,442 0.802,443 0.951,445 1.774,446 0.813,447 1.618,448 0.744,449 3.414,450 1.591,451 0.618,452 0.618,454 0.828,455 0.6,456 1.618,457 0.744,458 3.414,459 1.591,460 0.618,461 0.618,463 0.828,464 0.6,465 1.491,466 0.622,467 3.358,468 1.322,469 0.364,470 0.393,472 0.663,473 0.339,474 17.695,475 0.492,476 0.854,477 0.024,478 37.5,479 1.042,480 15,481 0.417,482 22.5,483 0.625,484 43.379,485 1.205,486 42.305,487 0.542,488 31.279,489 0.869,490 7.504,491 0.208,492 9.728,493 0.27,494 0.231,495 0.045,496 0.17,501 0.732,502 1.674,503 0.74,504 1.202,505 0.562,506 1.144,507 0.893,508 1.141,509 0.764,510 0.876,511 0.499,512 0.925,513 0.803,514 0.956,515 0.878,516 0.93,517 0.584,518 0.991,519 0.863,520 1.236,521 1.05,522 1.212,523 0.876,524 1.185,525 0.832,526 0.887,527 0.725,528 0.785,529 0.861,530 0.834,531 1.07,532 0.913,533 1.192,534 1.036,535 1.072,536 1.023,537 1.554,538 1.156,539 1.396,540 1.271,541 1.87,542 1.167,543 2.215,544 0.894,545 0.914,546 0.757,547 2.849,548 0.836,549 9,550 0.248,551 4.889,552 2.875,553 2.044,554 1.208,555 0.975,556 0.542,557 0.386,558 0.269,559 19721,560 48773,561 1.906,562 53.8,564 28,567 2,569 12,572 1.771,573 1.756,574 3.816,575 0.148,582 117.178,583 1.502,584 3.061,585 4.028,586 4.375,587 4.426,588 4.426,589 3.155,590 3.948,591 5.148,592 4.055,593 2554.93,594 9.026,595 43920.5,600 490.261,601 1.616,602 5.067,603 0.243,604 0.008,605 0.098,606 0.051,607 0.041,608 0.023,609 0.019,610 0.013,611 0.011,612 0.008,613 0.514,614 0.5,615 0.75,616 0.978,617 201.023,618 -0.01,619 -0.301,620 0.02,621 -0.103,622 -0.023,623 -0.048,624 0.01,625 0.08,626 0.05,627 0.095,628 0.095,629 0.067,630 0.115,631 0.153,632 0.016,633 0.06,634 0.19,635 0.008,636 -0.017,637 -0.223,638 -0.106,639 -0.202,640 -0.068,641 -0.175,642 0.023,643 0.062,644 0.102,645 0.131,646 -0.037,647 0.114,648 -0.016,649 0.059,650 -0.072,651 -0.031,652 -0.079,653 -0.033,654 -0.114,655 -0.229,656 -0.202,657 -0.263,658 -0.147,659 -0.19,660 -0.309,661 0.042,662 -0.061,663 0.081,664 -0.247,665 0.024,666 2.254,667 5.475,668 0.333,669 41.259,670 0.992,671 1.136,672 -3.353,673 11.245,674 0.639,675 3.638,676 3.932,677 4.143,678 4.205,679 4.331,680 4.263,681 4.22,682 4.174,683 4.094,684 3.932,685 9.011,686 0.586,687 537.64,688 3.638,689 5.165,690 5.989,691 6.845,692 7.686,693 8.545,694 9.39,695 10.25,696 11.099,697 11.959,698 5.1,705 2,712 2,715 8,720 4,722 12,740 2,741 78,743 14,744 2,745 37,747 79,748 28,749 12,750 4,751 8,752 2,756 2,757 2,758 2,763 4,772 14,773 14,777 2,782 2,786 2,793 42,794 4,795 2,796 8,797 2,802 4,803 2,807 2,808 1,809 2,829 2,843 2,859 2,864 4,865 2,868 36,876 10,877 2,883 2,892 2,893 2.6,896 2,901 20.5,902 14.786,903 8.5,904 5.467,907 1.614,908 1.231,909 0.903,910 12.53,911 8.609,912 3.829,913 4.304,914 4.714,915 5.016,916 5.417,917 5.281,918 5.322,919 5.47,920 5.474,921 5.256,922 0.9,923 56,924 13.401,926 5.42,927 0.026,929 7.701,931 25.938,933 20.594,936 2.201,937 79.222,941 470.844,942 154.95,943 36.022,944 78.297,945 50.29,948 154.95,949 599.431,950 36.022,951 35.301,952 57.079,953 75.81,954 59.699,955 13.372,957 470.844,958 78.297,959 470.844,960 190.971,961 50.29,962 78.297,964 329.591,965 191.543,968 92.379,969 98.592,970 78.297,972 470.844,973 86.311,974 233.247,977 470.844,978 43.839,979 111.111,980 36.022,981 128.587,982 470.844,983 86.311,984 233.247,986 0.571,987 0.354,988 0.163,989 0.08,990 18,991 10,992 0.19,993 15,995 1,996 4.501,997 308.338,999 12,1000 142.117,1005 30.432,1006 14.823,1007 8.931,1009 86.311,1010 15.742,1015 3.705,1017 36.022,1018 790.402,1019 45,1024 24.949,1028 -1.175,1031 77.381,1032 88.604,1034 0.239,1035 0.487,1036 0.641,1037 0.696,1038 0.704,1039 0.704,1040 5.069,1041 1.453,1042 6.014,1043 3.796,1044 4.615,1045 4.99,1046 2.343,1047 6.864,1048 4.495,1049 6.262,1050 1.414,1051 7.623,1052 3.741,1053 4.443,1054 4.844,1055 1.404,1056 8.314,1057 4.186,1058 7.583,1059 1.414,1060 9.353,1061 2.976,1062 6.337,1063 7.056,1064 2.456,1065 11.242,1066 6.078,1067 8.94,1068 1.191,1069 11.157,1070 2.973,1071 7.004,1072 7.668,1073 1.94,1074 13.462,1075 6.604,1076 10.329,1077 0.802,1078 13.01,1079 2.563,1080 8.408,1081 9.406,1082 2.7,1083 16.062,1084 7.981,1085 11.736,1086 0.618,1087 14.895,1088 1.774,1089 9.394,1090 10.333,1091 2.388,1092 18.502,1093 8.837,1094 13.156,1095 0.618,1096 16.801,1097 0.828,1098 10.645,1099 11.886,1100 3.001,1101 21.042,1102 10.035,1103 3.35,1104 0.364,1105 18.721,1106 0.828,1107 11.754,1108 12.966,1109 2.827,1110 23.547,1111 11.028,1112 3.349,1113 12.631,1114 20.653,1115 0.663,1116 12.96,1117 14.429,1118 3.341,1119 26.079,1120 12.161,1121 2.724,1122 12.631,1123 22.592,1124 3.804,1125 14.119,1126 15.596,1127 3.271,1128 28.604,1129 13.213,1130 2.714,1131 8.425,1132 24.538,1133 3.804,1134 15.315,1135 17.007,1136 3.711,1137 31.137,1138 14.324,1139 2.694,1140 8.425,1141 26.489,1142 3.341,1143 16.496,1144 18.229,1145 3.72,1146 33.669,1147 15.403,1148 1.653,1149 7.93,1150 28.444,1151 3.265,1152 17.692,1153 19.609,1154 4.104,1155 36.203,1156 16.509,1157 1.464,1158 3.899,1159 30.402,1160 3.256,1161 18.884,1162 20.868,1163 4.173,1164 38.738,1165 17.603,1166 19803,1167 31310,1168 23.227,1169 49.876,1170 52.75,1171 54.881,1172 59.87,1173 52.868,1174 52.471,1175 63.221,1176 10.253,1177 149.737,1178 49.321,1179 5.374,1180 5.825,1181 6.894,1182 5.316,1183 5.35,1184 6.804,1185 2.318,1186 19.286,1187 5.061,1188 23.252,1189 1.426,1190 1.483,1191 1.618,1192 1.429,1193 1.418,1194 1.709,1195 0.277,1196 4.047,1197 1.333,1198 4.021,1199 4.077,1200 4.046,1201 3.915,1202 7.499,1203 3.911,1204 3.963,1205 4.015,1206 4.011,1207 3.875,1208 7.353,1209 3.869,1210 3.803,1211 3.847,1212 3.77,1213 3.641,1214 4.943,1215 3.65,1216 3.78,1217 3.832,1218 3.716,1219 3.611,1220 4.921,1221 3.617,1222 3.654,1223 3.698,1224 3.596,1225 3.398,1226 4.393,1227 3.439,1228 3.387,1229 3.48,1230 3.292,1231 3.171,1232 4.362,1233 3.161,1234 3.306,1235 3.407,1236 3.292,1237 3.123,1238 4.319,1239 3.089,1240 3.306,1241 3.407,1242 3.206,1243 3.123,1244 4.308,1245 3.089,1246 0.119,1247 0.103,1248 0.195,1249 0.115,1250 0.091,1251 4.394,1252 0.103,1253 3.825,1254 0.034,1255 7.207,1256 0.341,1257 4.264,1258 0.083,1259 3.35,1260 3.804,1261 1.26,1262 12.631,1263 3.061,1264 1.942,1265 1.907,1266 2.085,1267 2.106,1268 1.427,1269 2.106,1270 1.941,1271 1.906,1272 2.083,1273 2.099,1274 1.426,1275 2.101,1276 1.768,1277 1.706,1278 1.94,1279 1.919,1280 1.085,1281 1.931,1282 1.757,1283 1.692,1284 1.937,1285 1.904,1286 1.083,1287 1.923,1288 1.539,1289 1.491,1290 1.753,1291 1.816,1292 0.944,1293 1.79,1294 1.377,1295 1.287,1296 1.725,1297 1.631,1298 0.925,1299 1.656,1300 1.351,1301 1.256,1302 1.725,1303 1.584,1304 0.869,1305 1.638,1306 1.351,1307 1.256,1308 1.695,1309 1.584,1310 0.869,1311 1.638,1312 4.317,1314 5.617,1316 7.122,1318 8.708,1320 10.33,1322 8.569,1323 12.768,1328 7.493,1329 5.615,1335 1.557,1340 45.706,1341 117.178,1342 238.752,1343 314.222,1344 341.242,1345 345.242,1346 345.242,1347 126.641,1348 6.995,1349 58.2,1350 58.2,1351 12,1352 12.512,1353 3.907,1354 3.17,1355 93.705,1356 200,1357 158,1358 0.223,1359 295.913,1360 519.96,1361 713.787,1362 10510,1363 2.6,1364 26.606,1365 0.739,1366 0.66,1367 27.606,1368 23.774,1369 17.232,1370 0.466,1371 0.379,1372 13.159,1373 16.084,1374 12.698,1375 10.664,1376 17.81,1377 14.018,1378 14.605,1379 0.292,1380 0.216,1381 15.347,1382 10.777,1383 12.673,1384 0.204,1385 0.143,1386 13.433,1387 8.872,1388 8.661,1389 0.131,1390 0.082,1391 9.149,1392 5.423,1393 6.333,1394 0.084,1395 0.046,1396 6.845,1397 3.428,1398 0.364,1399 113.221,1400 0.207,1401 33.666,1402 0.576,1403 174,1404 435.209,1405 218.46,1406 482.229,1407 624.58,1408 446,1409 199,1410 398.886,1411 237.702,1412 423.582,1413 612.94,1414 398,1415 8.262}
{0 CHEMBL1200623,1 1.078,2 7.524,3 4.997,4 24.972,5 88.498,6 5.444,8 4.021,9 4.161,10 3.334,11 3.595,12 4.735,13 3.499,14 4.715,15 4.917,16 3.812,17 4.142,18 5.334,19 4.013,20 5.169,21 5.409,22 4.014,23 4.44,24 5.83,25 4.277,26 5.384,27 5.65,28 3.875,29 4.531,30 6.012,31 4.309,32 5.445,33 5.782,34 3.587,35 4.414,36 5.906,37 4.125,38 5.188,39 5.542,40 3.287,41 4.097,42 5.645,43 3.803,44 4.793,45 5.129,46 3.031,47 3.75,48 5.335,49 3.484,50 4.479,51 4.807,52 2.688,53 3.435,54 5.075,55 3.163,56 0.066,57 0.715,58 13.937,59 6.295,60 5.253,61 8.779,62 0.126,63 1.332,64 26.396,65 11.747,66 7.846,67 16.493,68 0.24,69 1.93,70 39.848,71 16.955,72 24.153,73 23.913,74 0.317,75 2.26,76 47.421,77 19.881,78 31.438,79 28.183,80 0.258,81 2.206,82 45.906,83 19.591,84 23.788,85 28.089,86 0.211,87 1.643,88 34.742,89 14.574,90 19.594,91 20.941,92 0.156,93 1.124,94 23.992,95 9.932,96 16.957,97 14.222,98 0.117,99 0.821,100 17.631,101 7.237,102 15.199,103 10.36,104 11,105 38,106 0.185,107 0.4,108 0.671,109 0.861,110 0.887,111 0.887,112 3.106,113 1.188,114 -6.14,115 -5.99,116 -5.56,121 37.7,122 2,123 10,124 4,125 1,132 1,137 1,138 1,176 20,185 3,187 30,197 5,200 37,211 2,214 30,224 2,227 20,237 2,239 14,249 2,251 10,261 2,264 6,274 1,277 3,281 427,282 14.217,283 14.217,284 14.217,285 14.217,286 14.217,287 13.957,288 11.211,289 7.779,290 14.25,291 11.684,292 11.684,293 11.684,294 11.684,295 11.684,296 11.266,297 12.539,298 3.489,299 11.767,300 4.65,301 3.396,302 1.816,303 0.708,304 0.557,305 0.557,306 3.8,311 1,312 1,313 351,314 3.082,317 27.788,318 93.642,321 45.594,322 103.713,325 1.261,326 13.033,329 0.75,330 0.83,331 1,332 0.7,333 0.5,334 1,335 1,336 0.83,337 43,338 158,339 4.895,340 3.985,341 8.547,342 4.88,343 3.895,344 3.896,345 0.68,346 16.794,347 3.835,348 4.23,349 3.356,350 6.854,351 4.136,352 3.14,353 3.389,355 11.247,356 3.128,357 3.703,358 2.782,359 6.392,360 3.575,361 2.588,362 2.764,364 9.299,365 2.55,366 3.208,367 2.249,368 5.729,369 3.104,370 2.115,371 2.219,373 7.283,374 2.086,375 2.967,376 1.99,377 5.134,378 2.914,379 1.914,380 1.966,382 5.67,383 1.914,384 2.556,385 1.722,386 4.465,387 2.541,388 1.541,389 1.553,391 3.917,392 1.541,393 2.293,394 1.466,395 3.927,396 2.288,397 1.289,398 1.291,400 2.954,401 1.288,402 2.129,403 1.093,404 3.632,405 2.037,406 1.037,407 1.086,409 2.573,410 1.037,411 1.721,412 0.746,413 3.562,414 1.671,415 0.671,416 0.69,418 1.547,419 0.671,420 1.434,421 0.497,422 3.489,423 1.425,424 0.432,425 0.432,427 0.676,428 0.428,429 0.934,430 0.106,431 3,432 0.89,433 -0.085,434 -0.086,436 -0.194,437 -0.082,438 0.74,439 -0.153,440 2.892,441 0.693,442 -0.302,443 -0.306,445 -0.85,446 -0.3,447 0.499,448 -0.399,449 2.62,450 0.427,451 -0.567,452 -0.58,454 -1.425,455 -0.562,456 0.219,457 -0.757,458 2.365,459 0.104,460 -0.896,461 -0.952,463 -2.251,464 -0.895,465 -0.145,466 -0.853,467 2.256,468 -0.197,469 -1.145,470 -1.145,472 -3.59,473 -1.049,474 10.333,475 0.492,476 0.669,477 0.032,478 13.25,479 0.631,480 1,481 0.048,482 12.25,483 0.583,484 32.758,485 1.56,486 25.067,487 0.473,488 3.064,489 0.146,490 0.739,491 0.035,492 9.351,493 0.445,494 0.129,495 0.097,496 0.242,501 0.979,502 1.193,503 1.156,504 1.193,505 1.06,506 1.184,507 0.698,508 1.162,509 1.048,510 1.157,511 0.685,512 1.124,513 1.213,514 1.148,515 1.112,516 1.142,517 1.169,518 1.124,519 1.533,520 1.214,521 1.303,522 1.219,523 1.532,524 1.246,525 0.635,526 0.951,527 0.925,528 0.954,529 0.609,530 0.954,531 0.716,532 0.805,533 0.796,534 0.805,535 0.709,536 0.805,537 0.989,538 0.865,539 0.872,540 0.863,541 1,542 0.862,543 1.068,544 0.988,545 0.97,546 0.984,547 1.09,548 0.974,549 5,550 0.012,551 4.889,552 2.576,553 1.627,554 0.781,555 0.481,556 0.29,557 0.115,558 0.041,559 3871,560 5130,561 2.131,562 60.4,563 26,564 1,567 1,569 4,572 1.637,573 1.969,574 2.889,575 -0.479,582 57.141,583 1.078,584 2.332,585 3.912,586 5.02,587 5.171,588 5.171,589 2.506,590 4.202,591 4.365,592 2.964,593 622.412,594 7.506,595 6094.77,597 1,600 303.58,601 1.706,602 4.298,603 0.208,604 0.012,605 0.129,606 0.059,607 0.048,608 0.033,609 0.027,610 0.021,611 0.013,612 0.01,613 0.559,614 0.83,615 0.88,616 0.819,617 90.925,618 -0.039,619 0.117,620 0.066,621 0.114,622 -0.121,623 0.097,624 0.06,625 0.03,626 0.073,627 0.034,628 0.016,629 0.052,630 -0.008,631 -0.053,632 -0.029,633 -0.051,634 0.045,635 -0.042,636 -0.181,637 -0.18,638 -0.256,639 -0.189,640 -0.141,641 -0.222,642 0.01,643 -0.033,644 -0.016,645 -0.032,646 -0.005,647 -0.026,648 0.043,649 0.074,650 0.093,651 0.077,652 0.018,653 0.086,654 0.018,655 0.039,656 0.054,657 0.041,658 0.019,659 0.049,660 0.014,661 -0.075,662 -0.032,663 -0.072,664 0.042,665 -0.056,666 1.62,667 5.166,668 0.81,669 12.54,670 0.971,671 1.129,672 4.912,673 24.123,674 0.616,675 3.219,676 3.664,677 4.078,678 4.369,679 4.635,680 4.812,681 5.037,682 5.204,683 5.288,684 5.247,685 4.392,686 0.55,687 288.52,688 3.219,689 4.828,690 5.759,691 6.708,692 7.657,693 8.612,694 9.567,695 10.525,696 11.482,697 12.442,741 53,743 1,745 24,747 56,748 20,756 4,757 10,763 2,764 1,766 1,767 9,768 5,770 10,772 2,773 18,774 5,777 1,784 1,786 1,793 32,794 1,795 1,796 1,808 0.25,809 1,812 1,828 1,829 3,832 1,833 2,849 1,850 1,857 1,859 1,864 2,868 21,875 1,876 10,880 4,882 2,893 1.9,894 1,901 10.667,902 9.617,903 4.465,904 4.029,907 0.324,908 1.043,909 0.899,910 3.302,911 7.847,912 3.258,913 3.738,914 4.174,915 4.489,916 4.779,917 4.963,918 5.231,919 5.447,920 5.587,921 5.587,922 1,923 44,924 7.963,926 3.612,927 0.026,929 7.238,931 16.722,933 16.181,936 1.738,937 36.5,938 0.007,940 1,941 364.904,942 55.658,945 42.683,948 55.658,949 407.588,951 17.65,952 25.345,953 52.16,955 3.186,957 364.904,959 364.904,960 55.658,961 42.683,964 317.82,965 47.084,966 42.683,968 42.996,969 3.186,970 9.476,972 364.904,973 42.683,974 55.658,977 364.904,978 28.531,979 27.127,981 42.683,982 364.904,983 42.683,984 55.658,986 0.61,987 0.399,988 0.21,989 0.107,990 23,991 9,992 0.018,993 1,994 3,995 1.353,996 3.154,997 185.433,998 0.353,999 17,1000 92.239,1005 14.304,1006 4.848,1007 1.854,1009 42.683,1017 42.683,1018 463.245,1019 25,1026 2.579,1028 1.815,1031 51.465,1032 59.853,1034 0.188,1035 0.407,1036 0.683,1037 0.876,1038 0.903,1039 0.903,1040 4.644,1041 1.037,1042 5.849,1043 2.954,1044 4.344,1045 4.419,1046 0.655,1047 6.887,1048 4.328,1049 5.849,1050 0.671,1051 7.572,1052 2.573,1053 4.369,1054 4.443,1056 8.56,1057 4.323,1058 7.227,1059 0.432,1060 9.427,1061 1.547,1062 6.24,1063 6.382,1064 0.356,1065 11.733,1066 6.2,1067 8.642,1068 -0.085,1069 11.367,1070 0.676,1071 7.107,1072 7.216,1074 14.207,1075 7.038,1076 10.102,1077 -0.302,1078 13.362,1079 -0.194,1080 8.566,1081 8.727,1082 0.18,1083 17.087,1084 8.493,1085 11.589,1086 -0.567,1087 15.395,1088 -0.85,1089 9.744,1090 9.868,1092 19.802,1093 9.647,1094 13.098,1095 -0.896,1096 17.456,1097 -1.425,1098 11.102,1099 11.254,1100 0.087,1101 22.629,1102 10.995,1103 3.895,1104 -1.145,1105 19.536,1106 -2.251,1107 12.389,1108 12.512,1110 25.415,1111 12.261,1112 3.14,1113 16.794,1114 21.632,1115 -3.59,1116 13.73,1117 13.862,1118 0.041,1119 28.234,1120 13.588,1121 2.588,1122 11.247,1123 23.738,1124 3.896,1125 15.055,1126 15.169,1128 31.043,1129 14.895,1130 2.115,1131 9.299,1132 25.854,1133 3.389,1134 16.398,1135 16.511,1136 0.019,1137 33.862,1138 16.222,1139 1.914,1140 7.283,1141 27.976,1142 2.764,1143 17.74,1144 17.839,1146 36.679,1147 17.547,1148 1.541,1149 5.67,1150 30.104,1151 2.219,1152 19.087,1153 19.182,1154 0.009,1155 39.499,1156 18.878,1157 1.289,1158 3.917,1159 32.235,1160 1.966,1161 20.436,1162 20.521,1164 42.318,1165 20.21,1166 3714,1167 4278,1168 15.89,1169 32.637,1170 37.437,1171 37.357,1172 40.129,1173 37.308,1174 37.244,1175 38.572,1176 1.36,1177 123.92,1178 36.954,1179 5.895,1180 5.985,1181 8.231,1182 5.88,1183 5.895,1184 6.365,1185 1.36,1186 26.077,1187 5.835,1188 9.17,1189 1.56,1190 1.557,1191 1.672,1192 1.554,1193 1.552,1194 1.607,1195 0.057,1196 5.163,1197 1.54,1198 4.105,1199 4.143,1200 4.011,1201 4.032,1202 6.446,1203 4.022,1204 3.875,1205 3.917,1206 3.772,1207 3.792,1208 4.516,1209 3.781,1210 3.558,1211 3.622,1212 3.399,1213 3.432,1214 4.289,1215 3.415,1216 3.413,1217 3.488,1218 3.223,1219 3.28,1220 3.984,1221 3.257,1222 3.331,1223 3.418,1224 3.108,1225 3.174,1226 3.84,1227 3.146,1228 3.186,1229 3.271,1230 2.982,1231 3.042,1232 3.768,1233 3.017,1234 3.011,1235 3.103,1236 2.779,1237 2.844,1238 3.682,1239 2.816,1240 2.923,1241 3.008,1242 2.685,1243 2.75,1244 3.478,1245 2.721,1246 0.204,1247 0.166,1248 0.356,1249 0.203,1250 0.162,1251 4.895,1252 0.162,1253 3.985,1254 0.028,1255 8.547,1256 0.7,1257 4.88,1258 0.16,1259 3.895,1260 3.896,1261 0.68,1262 16.794,1263 3.835,1264 2.041,1265 2.005,1266 2.201,1267 2.138,1268 1.659,1269 2.162,1270 1.81,1271 1.77,1272 2.002,1273 1.939,1274 1.38,1275 1.961,1276 1.682,1277 1.629,1278 1.921,1279 1.839,1280 1.278,1281 1.87,1282 1.443,1283 1.371,1284 1.741,1285 1.625,1286 1.073,1287 1.669,1288 1.376,1289 1.302,1290 1.693,1291 1.571,1292 1.004,1293 1.618,1294 1.268,1295 1.187,1296 1.601,1297 1.475,1298 0.835,1299 1.523,1300 1.07,1301 0.991,1302 1.405,1303 1.277,1304 0.68,1305 1.324,1306 0.949,1307 0.856,1308 1.316,1309 1.196,1310 0.586,1311 1.241,1312 3.892,1314 5.303,1315 2.398,1316 6.952,1317 4.949,1318 8.702,1319 7.235,1320 10.503,1322 4.624,1327 11.166,1328 12.915,1332 3.564,1334 -0.163,1340 29.144,1341 57.141,1342 123.618,1343 207.315,1344 266.07,1345 274.07,1346 274.07,1347 36.722,1348 7.523,1349 20.23,1350 20.23,1351 23,1352 12.925,1353 1,1354 1,1355 27.859,1356 57,1357 51,1358 0.264,1359 174.113,1360 311.27,1361 416.595,1362 16861,1364 14.665,1365 0.698,1366 0.662,1367 14.665,1368 13.905,1369 10.089,1370 0.42,1371 0.396,1372 9.487,1373 10.032,1374 9.192,1375 7.538,1376 10.089,1377 9.502,1378 9.629,1379 0.253,1380 0.228,1381 9.629,1382 8.669,1383 9.437,1384 0.163,1385 0.143,1386 9.437,1387 8.284,1388 7.771,1389 0.1,1390 0.09,1391 7.771,1392 6.994,1393 6.307,1394 0.062,1395 0.054,1396 6.307,1397 5.541,1398 0.387,1399 61.036,1400 0.251,1401 19.894,1402 0.81,1403 124,1404 168.15,1405 126.768,1406 169.3,1407 244.49,1408 160,1409 158,1410 190.03,1411 160.99,1412 195.419,1413 296.21,1414 187,1415 5.187}
{0 CHEMBL1200970,1 1.333,2 7.364,3 5.088,4 25.89,5 98,6 6.794,7 0.5,8 3.886,9 4.018,10 3.445,11 3.502,12 4.815,13 3.409,14 4.444,15 4.65,16 3.823,17 3.896,18 5.263,19 3.773,20 4.704,21 4.94,22 3.969,23 4.084,24 5.457,25 3.937,26 4.791,27 5.014,28 3.866,29 4.164,30 5.532,31 3.985,32 4.962,33 5.241,34 3.734,35 4.176,36 5.651,37 3.972,38 4.912,39 5.21,40 3.718,41 4.093,42 5.592,43 3.897,44 4.709,45 4.952,46 3.563,47 4.019,48 5.461,49 3.804,50 4.668,51 4.945,52 3.219,53 3.865,54 5.355,55 3.579,56 0.055,57 0.65,58 11.432,59 4.719,60 8.249,61 6.487,62 0.142,63 1.111,64 21.488,65 7.824,66 14.507,67 10.735,68 0.25,69 1.426,70 30.223,71 10.261,72 17.693,73 13.873,74 0.174,75 1.499,76 31.827,77 12.233,78 17.723,79 16.264,80 0.2,81 1.667,82 36.388,83 14.109,84 25.964,85 19.259,86 0.213,87 1.566,88 33.782,89 12.753,90 25.676,91 17.947,92 0.136,93 1.317,94 28.345,95 11.548,96 20.954,97 15.468,98 0.125,99 1.212,100 28.605,101 11.617,102 21.434,103 15.184,104 17,105 33,106 0.232,107 0.486,108 0.627,109 0.74,110 0.755,111 0.755,112 3.148,113 1.117,114 -4.96,115 -4.87,116 -4.56,121 41.3,122 3,127 3,129 1,144 8,146 4,176 6,180 5,187 6,191 1,192 6,200 6,206 2,214 7,219 4,227 8,232 5,239 11,244 2,251 8,264 10,277 4,281 656,282 15.223,283 15.223,284 15.223,285 15.223,286 15.223,287 13.769,288 19.154,289 8.986,290 15.669,291 11.719,292 11.719,293 11.719,294 11.719,295 11.719,296 9.592,297 25.845,298 4.059,299 12.423,300 4.19,301 2.728,302 1.914,303 1.267,304 1.18,305 1.18,306 3.83,311 1,312 1,313 343,314 3.391,318 127.462,322 146.503,325 1,326 6.724,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 45,338 162,339 4.502,340 4.606,341 6.839,342 4.167,343 3.238,344 4.075,345 2.95,346 11.389,347 3.004,348 3.962,349 3.221,350 6.002,351 3.668,352 2.737,353 3.58,354 0.8,355 8.437,356 2.546,357 3.758,358 3.185,359 5.982,360 3.502,361 2.532,362 2.78,363 0.8,364 8.37,365 2.447,366 3.303,367 2.926,368 5.37,369 3.016,370 2.127,371 2.449,373 6.657,374 1.887,375 2.968,376 1.788,377 4.198,378 2.498,379 1.536,380 2.167,382 3.675,383 1.458,384 2.819,385 1.756,386 4.116,387 2.379,388 1.409,389 1.966,391 3.329,392 1.362,393 2.702,394 1.517,395 3.751,396 2.336,397 1.347,398 1.792,400 3.139,401 1.329,402 2.51,403 1.348,404 3.594,405 2.227,406 1.247,407 1.511,409 2.902,410 1.215,411 2.024,412 0.869,413 3.451,414 1.713,415 0.745,416 0.929,418 1.812,419 0.718,420 1.618,421 0.744,422 2.878,423 1.591,424 0.618,425 0.618,427 0.791,428 0.6,429 1.284,430 0.63,431 2.618,432 0.967,433 0.071,434 0.083,436 0.176,437 0.062,438 0.909,439 0.49,440 2.517,441 0.636,442 -0.336,443 -0.344,445 -0.462,446 -0.326,447 0.731,448 -0.221,449 2.404,450 0.491,451 -0.445,452 -0.563,454 -1.091,455 -0.405,456 0.591,457 -0.481,458 2,459 0.318,460 -0.647,461 -0.732,463 -1.622,464 -0.621,465 0.574,466 -0.707,467 2,468 0.107,469 -0.879,470 -1.257,472 -2.123,473 -0.86,474 11.133,475 0.506,476 0.431,477 0.02,478 26.5,479 1.205,480 13,481 0.591,482 13.5,483 0.614,484 20.682,485 0.94,486 23.667,487 0.514,488 16.212,489 0.737,490 4.879,491 0.222,492 5.862,493 0.266,494 0.135,496 0.296,501 0.991,502 1.31,503 0.848,504 1.013,505 1.116,506 1.025,507 1.587,508 1.074,509 0.875,510 0.842,511 0.89,512 0.873,513 1.704,514 0.859,515 1.03,516 0.841,517 0.833,518 0.815,519 1.224,520 1.149,521 1.2,522 1.16,523 0.907,524 1.134,525 0.951,526 0.99,527 0.955,528 0.977,529 0.973,530 0.982,531 0.938,532 0.815,533 0.718,534 0.757,535 0.845,536 0.811,537 0.88,538 1.132,539 1.15,540 1.193,541 1.232,542 1.223,543 0.683,544 1.126,545 1.241,546 1.273,547 1.272,548 1.264,549 3.5,551 2.667,552 1.563,553 1.28,554 0.743,555 0.529,556 0.274,557 0.172,558 0.063,559 4256,560 8280,561 2.07,562 52.2,564 15,569 9,572 1.654,573 1.941,574 2.908,575 -0.851,582 61.334,583 1.333,584 2.795,585 3.61,586 4.257,587 4.344,588 4.344,589 2.191,590 3.607,591 4.432,592 3.028,593 699.398,594 7.66,595 7568.11,597 1,600 254.084,601 1.395,602 4.392,603 0.146,605 0.081,606 0.042,607 0.038,608 0.024,609 0.018,610 0.011,611 0.012,612 0.016,613 0.387,614 0.5,615 1,616 1.517,617 98.526,618 0.136,619 -0.173,620 0.093,621 -0.012,622 -0.059,624 -0.014,625 0.046,626 0.137,627 0.131,628 0.088,629 0.096,630 -0.02,631 0.257,632 0.099,633 0.178,634 0.091,635 0.146,636 -0.136,637 -0.102,638 -0.142,639 -0.128,640 -0.027,641 -0.138,642 -0.024,643 -0.038,644 -0.042,645 -0.038,646 -0.005,647 -0.013,648 0.048,649 0.118,650 0.122,651 0.129,652 0.14,653 0.141,654 -0.136,655 -0.158,656 -0.191,657 -0.197,658 -0.214,659 -0.224,660 -0.11,661 -0.205,662 -0.213,663 -0.238,664 -0.237,665 -0.262,666 0.806,667 0.521,668 0.636,669 14.727,670 0.978,671 1.119,672 3.732,673 13.93,674 0.675,675 3.219,676 3.526,677 3.85,678 4.127,679 4.394,680 4.511,681 4.654,682 4.745,683 4.762,684 4.554,685 4.783,686 0.609,687 312.52,688 3.219,689 4.745,690 5.609,691 6.494,692 7.381,693 8.278,694 9.174,695 10.077,696 10.978,697 11.883,698 4.3,701 1,706 1,715 8,720 4,722 12,736 1,741 46,743 12,744 2,745 24,747 48,748 19,749 12,750 4,751 8,756 3,757 6,763 3,770 1,772 12,773 7,793 24,794 2,796 3,797 1,802 2,808 0.333,829 3,833 2,855 1,859 1,860 1,862 1,864 3,868 22,876 3,879 1,880 1,881 2,901 11.333,902 9.067,903 5.056,904 3.175,907 2.442,908 1.348,909 0.972,910 4.869,911 9.46,912 3.434,913 3.97,914 4.527,915 5.074,916 5.639,917 5.845,918 6.259,919 6.663,920 6.986,921 7.049,922 0.8,923 37,924 8.143,926 3.318,927 0.026,929 7.333,931 16.345,933 13.449,936 1.833,937 40.333,938 0.001,940 1,941 282.506,942 149.437,943 6.249,947 32.22,948 117.218,949 282.506,950 6.249,951 26.476,952 6.317,953 75.81,955 14.864,957 314.726,959 282.506,960 123.466,962 32.22,964 176.567,965 105.94,968 39.041,969 84.425,971 32.22,972 282.506,973 6.249,974 149.437,977 282.506,978 47.152,979 108.534,982 282.506,983 6.249,984 149.437,986 0.568,987 0.356,988 0.199,989 0.104,990 16,991 7,992 0.104,993 5,994 2,995 1.286,996 3.305,997 177.627,998 0.286,999 14,1000 82.107,1001 1,1005 15.604,1006 6.865,1007 3.103,1009 6.249,1010 17.485,1015 5.385,1018 438.192,1019 30,1031 45,1032 51.484,1034 0.241,1035 0.506,1036 0.654,1037 0.771,1038 0.786,1039 0.786,1040 4.663,1041 1.247,1042 5.587,1043 3.139,1044 4.205,1045 4.654,1046 3.012,1047 6.428,1048 4.086,1049 5.833,1050 0.745,1051 7.163,1052 2.902,1053 3.761,1054 4.29,1055 0.57,1056 7.413,1057 3.537,1058 7.123,1059 0.618,1060 8.845,1061 1.812,1062 5.814,1063 6.749,1064 5.033,1065 10.546,1066 5.559,1067 8.449,1068 0.071,1069 10.591,1070 0.791,1071 6.236,1072 7.229,1073 0.479,1074 12.366,1075 5.865,1076 9.811,1077 -0.336,1078 12.377,1079 0.176,1080 7.732,1081 9.154,1082 7.185,1083 15.022,1084 7.333,1085 11.198,1086 -0.445,1087 14.19,1088 -0.462,1089 8.553,1090 10.049,1091 0.346,1092 17.181,1093 8.042,1094 12.605,1095 -0.647,1096 16.021,1097 -1.091,1098 9.83,1099 11.725,1100 9.348,1101 19.683,1102 9.279,1103 3.238,1104 -0.879,1105 17.866,1106 -1.622,1107 10.834,1108 12.841,1109 0.237,1110 21.991,1111 10.18,1112 2.737,1113 11.389,1114 19.722,1115 -2.123,1116 12.029,1117 14.388,1118 11.511,1119 24.442,1120 11.322,1121 2.532,1122 8.437,1123 21.586,1124 4.075,1125 13.118,1126 15.625,1127 0.158,1128 26.817,1129 12.316,1130 2.127,1131 8.37,1132 23.457,1133 3.58,1134 14.286,1135 17.102,1136 13.675,1137 29.252,1138 13.42,1139 1.536,1140 6.657,1141 25.334,1142 2.78,1143 15.414,1144 18.407,1145 0.104,1146 31.658,1147 14.461,1148 1.409,1149 3.675,1150 27.217,1151 2.449,1152 16.575,1153 19.847,1154 15.838,1155 34.089,1156 15.552,1157 1.347,1158 3.329,1159 29.104,1160 2.167,1161 17.723,1162 21.191,1163 0.068,1164 36.508,1165 16.617,1166 4254,1167 6082,1168 16.008,1169 31.035,1170 35.401,1171 37.86,1172 37.365,1173 35.229,1174 35.215,1175 43.898,1176 9.1,1177 101.353,1178 33.259,1179 5.418,1180 6.606,1181 6.524,1182 5.331,1183 5.238,1184 7.075,1185 5.9,1186 18.92,1187 5.004,1188 9.957,1189 1.475,1190 1.578,1191 1.557,1192 1.468,1193 1.467,1194 1.829,1195 0.379,1196 4.223,1197 1.386,1198 4.03,1199 4.058,1200 4.147,1201 3.991,1202 4.825,1203 3.966,1204 3.763,1205 3.835,1206 3.686,1207 3.707,1208 4.615,1209 3.698,1210 3.758,1211 3.788,1212 3.65,1213 3.588,1214 4.348,1215 3.588,1216 3.411,1217 3.495,1218 3.299,1219 3.242,1220 4.008,1221 3.223,1222 3.306,1223 3.407,1224 3.215,1225 3.123,1226 3.892,1227 3.089,1228 3.092,1229 3.175,1230 3.04,1231 3.017,1232 3.805,1233 2.945,1234 2.95,1235 2.982,1236 2.913,1237 2.883,1238 3.732,1239 2.853,1240 2.786,1241 2.856,1242 2.628,1243 2.674,1244 3.583,1245 2.655,1246 0.188,1247 0.192,1248 0.285,1249 0.174,1250 0.135,1251 4.502,1252 0.17,1253 4.606,1254 0.123,1255 6.839,1256 0.475,1257 4.167,1258 0.125,1259 3.238,1260 4.075,1261 2.95,1262 11.389,1263 3.004,1264 1.984,1265 1.965,1266 2.053,1267 2.068,1268 1.3,1269 2.078,1270 1.772,1271 1.744,1272 1.96,1273 1.934,1274 1.167,1275 1.95,1276 1.734,1277 1.662,1278 1.902,1279 1.849,1280 0.978,1281 1.869,1282 1.432,1283 1.35,1284 1.753,1285 1.641,1286 0.953,1287 1.684,1288 1.351,1289 1.256,1290 1.725,1291 1.584,1292 0.869,1293 1.638,1294 1.082,1295 1.015,1296 1.387,1297 1.316,1298 0.527,1299 1.346,1300 0.954,1301 0.922,1302 1.142,1303 1.047,1304 0.279,1305 1.105,1306 0.817,1307 0.754,1308 1.109,1309 1.004,1310 0.235,1311 1.054,1312 3.892,1314 5.198,1316 6.735,1318 8.378,1320 10.078,1322 6.821,1328 3.226,1331 1.878,1332 0.527,1333 5.011,1340 28.025,1341 61.334,1342 128.574,1343 166.045,1344 195.819,1345 199.819,1346 199.819,1347 25.502,1348 7.018,1349 8.17,1350 36.41,1351 18,1352 12.403,1353 3.7,1354 2.807,1355 34.094,1356 60,1357 64,1358 0.276,1359 178,1360 303.05,1361 426.08,1362 9388,1364 15.527,1365 0.706,1366 0.656,1367 15.88,1368 14.437,1369 10.741,1370 0.448,1371 0.372,1372 8.133,1373 10.076,1374 7.751,1375 6.498,1376 11.149,1377 8.933,1378 9.106,1379 0.276,1380 0.206,1381 9.748,1382 6.802,1383 8.139,1384 0.177,1385 0.121,1386 8.948,1387 5.545,1388 6.956,1389 0.114,1390 0.07,1391 7.88,1392 4.3,1393 5.455,1394 0.068,1395 0.036,1396 6.425,1397 2.855,1398 0.411,1399 69.639,1400 0.25,1401 21.05,1402 0.829,1403 114,1404 236.151,1405 144.785,1406 258.304,1407 371.96,1408 246,1409 136,1410 272.729,1411 165.963,1412 294.253,1413 436.42,1414 280,1415 4.605}
{0 CHEMBL1202417,1 1.577,2 17.345,3 3.697,4 13.666,5 127.007,6 6.964,7 0.333,8 4.195,9 4.329,10 3.774,11 3.7,12 5.153,13 3.613,14 4.756,15 4.976,16 4.001,17 4.046,18 5.606,19 3.916,20 4.865,21 5.066,22 3.981,23 4.104,24 5.703,25 3.932,26 5.011,27 5.312,28 3.939,29 4.121,30 5.691,31 3.902,32 4.813,33 5.041,34 3.809,35 3.986,36 5.639,37 3.828,38 4.826,39 5.088,40 3.701,41 3.995,42 5.55,43 3.765,44 4.691,45 4.961,46 3.707,47 3.893,48 5.409,49 3.653,50 4.694,51 4.978,52 3.608,53 3.847,54 5.372,55 3.574,56 0.051,57 0.919,58 16.525,59 6.378,60 11.123,61 8.479,62 0.34,63 1.405,64 35.923,65 10.589,66 24.265,67 13.517,68 0.525,69 1.464,70 38.793,71 11.951,72 33.053,73 15.614,74 0.276,75 1.559,76 42.286,77 14.073,78 29.957,79 18.609,80 0.482,81 1.329,82 35.765,83 10.396,84 34.332,85 13.823,86 0.375,87 1.364,88 36.363,89 11.749,90 28.652,91 15.812,92 0.204,93 1.229,94 32.642,95 10.781,96 22.368,97 13.806,98 0.397,99 1.198,100 43.281,101 12.109,102 25.218,103 13.92,104 25,105 37,106 0.257,107 0.503,108 0.693,109 0.719,110 0.734,111 0.75,112 3.406,113 1.215,114 -2.71,115 -2.73,116 -2.65,121 33.3,126 4,127 8,144 4,154 4,160 1,176 2,180 4,183 1,191 2,192 5,197 1,200 2,206 2,214 2,219 1,224 1,231 1,232 3,235 1,237 1,244 1,249 1,255 1,256 1,259 1,261 1,264 1,268 1,269 1,272 1,274 1,281 1636,282 19.397,283 19.397,284 19.397,285 19.397,286 19.397,287 17.949,288 28.081,289 12.377,290 20.192,291 14.916,292 14.916,293 14.916,294 14.916,295 14.916,296 12.705,297 34.937,298 6.056,299 16.096,300 4.4,301 2.892,302 1.73,303 1.572,304 1.477,305 1.381,306 4.075,311 1,312 1,313 1032,314 4.583,317 213.125,325 2.792,326 14.946,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 62,338 503,339 4.124,340 4.25,341 5.675,342 3.75,343 2.763,344 3.735,345 3.272,346 7.971,347 2.728,348 4.124,349 4.25,350 5.675,351 3.75,352 2.763,353 3.735,354 3.272,355 7.971,356 2.728,357 3.373,358 2.998,359 5.03,360 3.178,361 2.245,362 2.509,363 0.916,364 6.084,365 2.097,366 3.371,367 2.997,368 5.03,369 3.177,370 2.243,371 2.507,372 0.916,373 6.084,374 2.097,375 3.228,376 2.704,377 4.338,378 2.826,379 1.928,380 2.303,381 0.899,382 4.346,383 1.725,384 2.921,385 2.692,386 4.338,387 2.709,388 1.806,389 1.956,390 0.267,391 4.343,392 1.634,393 2.909,394 2.347,395 3.92,396 2.665,397 1.726,398 1.947,399 0.172,400 3.819,401 1.615,402 2.672,403 2.25,404 3.704,405 2.5,406 1.577,407 1.676,408 0.172,409 3.347,410 1.429,411 2.461,412 2.184,413 3.408,414 2.116,415 1.275,416 1.429,418 2.673,419 1.048,420 2.219,421 1.74,422 3.282,423 1.8,424 0.906,425 1.107,427 1.951,428 0.795,429 2.199,430 1.703,431 3.264,432 1.737,433 0.745,434 1.064,436 1.752,437 0.737,438 1.942,439 1.373,440 3.041,441 1.621,442 0.692,443 0.876,445 1.605,446 0.636,447 1.555,448 0.762,449 2.705,450 1.283,451 0.392,452 0.438,454 0.849,455 0.342,456 1.09,457 0.758,458 2.449,459 0.866,460 -0.037,461 -0.04,463 -0.082,464 -0.032,465 0.842,466 0.524,467 2.358,468 0.658,469 -0.288,470 -0.316,472 -0.744,473 -0.269,474 14.433,475 0.498,476 0.561,477 0.019,478 28,479 0.966,480 9.5,481 0.328,482 18.5,483 0.638,484 30.145,485 1.039,486 34.167,487 0.542,488 17.552,489 0.605,490 5.124,491 0.177,492 8.901,493 0.307,494 0.139,496 0.194,501 0.957,502 1.573,503 0.846,504 1.158,505 0.914,506 1.161,507 1.414,508 0.953,509 1.333,510 1.11,511 1.029,512 0.936,513 1.455,514 1.244,515 1.236,516 1.283,517 1.641,518 1.291,519 0.636,520 0.909,521 0.751,522 0.849,523 0.596,524 0.82,525 2.003,526 0.961,527 1.19,528 0.965,529 1.948,530 1.021,531 0.7,532 1.16,533 1.09,534 1.184,535 0.856,536 1.181,537 0.71,538 1.156,539 1.092,540 1.126,541 0.762,542 1.077,543 0.738,544 1.054,545 1.637,546 1.406,547 0.633,548 0.989,549 5.5,550 0.09,551 1.111,552 1.514,553 0.65,554 0.647,555 0.234,556 0.175,557 0.137,558 0.109,559 14420,560 34273,561 1.977,562 54,564 32,566 1,567 1,572 1.705,573 1.871,574 4.051,575 -0.302,577 1,582 99.356,583 1.577,584 3.085,585 4.247,586 4.406,587 4.501,588 4.596,589 3.479,590 3.755,591 4.832,592 4.284,593 1739.44,594 8.334,595 29053.7,597 1,600 376.569,601 1.264,602 4.798,603 0.183,604 0.005,605 0.03,606 0.05,607 0.021,608 0.023,609 0.01,610 0.008,611 0.007,612 0.005,613 0.343,614 0.33,615 0.88,616 1.094,617 158.471,618 0.016,619 -0.297,620 0.093,621 -0.069,622 0.043,623 -0.053,624 -0.151,625 0.23,626 -0.103,627 0.026,628 0.033,629 0.072,630 -0.053,631 -0.173,632 -0.162,633 -0.202,634 -0.31,635 -0.266,636 0.1,637 0.003,638 0.198,639 0.113,640 0.213,641 0.161,642 -0.344,643 0.052,644 -0.156,645 0.026,646 -0.415,647 -0.056,648 0.093,649 -0.166,650 -0.083,651 -0.148,652 -0.005,653 -0.164,654 -0.003,655 -0.131,656 0.023,657 -0.029,658 0.081,659 -0.054,660 0.097,661 -0.006,662 -0.108,663 -0.062,664 0.203,665 0.054,666 0.683,667 2.307,668 0.345,669 38.692,670 0.992,671 1.135,672 1.482,673 2.196,674 0.645,675 3.434,676 3.638,677 3.714,678 3.912,679 3.85,680 3.871,681 3.85,682 3.638,683 3.611,684 3.584,685 10.298,686 0.584,687 438.73,688 3.434,689 4.905,690 5.666,691 6.479,692 7.259,693 8.079,694 8.871,695 9.694,696 10.494,697 11.319,698 6.3,700 1,701 2,707 1,715 4,718 2,720 4,722 10,741 63,743 11,745 30,747 64,748 21,749 8,756 2,757 2,772 9,773 12,777 1,784 1,785 1,790 1,792 2,793 34,794 6,795 1,796 8,797 2,802 4,804 1,808 1,809 2,828 2,853 1,855 2,859 2,860 2,862 2,864 4,868 29,876 8,877 1,879 2,881 2,893 3.2,898 2,901 15.5,902 12.183,903 6.667,904 3.431,907 2.026,908 1.299,909 0.922,910 11.955,911 8.797,912 3.611,913 4.034,914 4.404,915 4.884,916 4.869,917 4.952,918 5.012,919 4.747,920 4.842,921 5.007,922 1,923 30,924 10.719,926 4.128,927 0.026,929 7.46,931 21.164,933 16.12,936 1.96,937 56.833,940 1,941 388.446,942 178.365,943 41.045,945 19.015,947 64.439,948 113.926,949 407.461,950 41.045,951 33.586,952 12.022,953 55.916,954 20.39,955 42.049,956 21.795,957 441.114,959 388.446,960 154.971,961 19.015,962 64.439,964 388.446,965 19.015,968 53.066,969 101.904,971 64.439,972 388.446,973 60.06,974 178.365,977 388.446,978 98.256,979 86.358,980 18.011,981 35.8,982 388.446,983 60.06,984 178.365,986 0.549,987 0.274,988 0.151,989 0.074,990 12,991 6,992 0.234,993 15,995 1,996 4.475,997 202.524,999 10,1000 136.881,1001 2,1005 24.413,1006 14.201,1007 11.199,1009 60.06,1010 8.266,1013 11.61,1015 4.126,1017 18.011,1018 626.871,1019 36,1026 1.825,1027 4.407,1031 62.469,1032 71.48,1034 0.264,1035 0.516,1036 0.71,1037 0.737,1038 0.753,1039 0.769,1040 4.792,1041 1.577,1042 5.58,1043 3.819,1044 4.317,1045 4.718,1046 3.884,1047 6.209,1048 4.195,1049 5.907,1050 1.275,1051 7.015,1052 3.347,1053 3.611,1054 4.205,1055 0.57,1056 6.676,1057 3.519,1058 7.131,1059 0.906,1060 8.54,1061 2.673,1062 5.727,1063 6.673,1064 6.138,1065 9.715,1066 5.54,1067 8.389,1068 0.745,1069 10.118,1070 1.951,1071 5.832,1072 7.09,1073 0.674,1074 11.046,1075 5.709,1076 9.682,1077 0.692,1078 11.732,1079 1.752,1080 7.373,1081 8.946,1082 8.5,1083 13.526,1084 7.166,1085 11,1086 0.392,1087 13.372,1088 1.605,1089 7.897,1090 9.825,1091 0.66,1092 15.246,1093 7.753,1094 12.338,1095 -0.037,1096 15.031,1097 0.849,1098 9.17,1099 11.399,1100 10.871,1101 17.5,1102 8.961,1103 2.763,1104 -0.288,1105 16.704,1106 -0.082,1107 9.922,1108 12.507,1109 0.611,1110 19.404,1111 9.762,1112 2.763,1113 7.971,1114 18.387,1115 -0.744,1116 11.062,1117 13.946,1118 13.241,1119 21.558,1120 10.856,1121 2.245,1122 7.971,1123 20.08,1124 3.735,1125 11.938,1126 15.165,1127 0.55,1128 23.551,1129 11.761,1130 2.243,1131 6.084,1132 21.779,1133 3.735,1134 13.012,1135 16.54,1136 15.613,1137 25.661,1138 12.805,1139 1.928,1140 6.084,1141 23.483,1142 2.509,1143 13.954,1144 17.811,1145 0.487,1146 27.696,1147 13.761,1148 1.806,1149 4.346,1150 25.192,1151 2.507,1152 14.997,1153 19.157,1154 17.984,1155 29.786,1156 14.781,1157 1.726,1158 4.343,1159 26.905,1160 2.303,1161 15.973,1162 20.452,1163 0.427,1164 31.842,1165 15.762,1166 14332,1167 22240,1168 19.761,1169 40.648,1170 42.994,1171 48.267,1172 42.687,1173 42.133,1174 42.124,1175 50.56,1176 19.777,1177 105.59,1178 39.224,1179 5.033,1180 6.012,1181 5.612,1182 4.876,1183 4.763,1184 6.347,1185 6.545,1186 13.548,1187 4.616,1188 15.631,1189 1.433,1190 1.609,1191 1.423,1192 1.404,1193 1.404,1194 1.685,1195 0.659,1196 3.52,1197 1.307,1198 3.965,1199 3.981,1200 4.006,1201 3.828,1202 5.044,1203 3.833,1204 3.93,1205 3.942,1206 3.968,1207 3.793,1208 5.025,1209 3.801,1210 3.679,1211 3.755,1212 3.738,1213 3.523,1214 4.701,1215 3.491,1216 3.558,1217 3.64,1218 3.712,1219 3.451,1220 4.277,1221 3.377,1222 3.545,1223 3.631,1224 3.429,1225 3.313,1226 4.267,1227 3.317,1228 3.459,1229 3.528,1230 3.359,1231 3.272,1232 4.056,1233 3.266,1234 3.184,1235 3.243,1236 3.318,1237 3.085,1238 3.804,1239 3.024,1240 3.042,1241 3.119,1242 2.961,1243 2.907,1244 3.625,1245 2.866,1246 0.137,1247 0.142,1248 0.189,1249 0.125,1250 0.092,1251 4.124,1252 0.124,1253 4.25,1254 0.109,1255 5.675,1256 0.266,1257 3.75,1258 0.091,1259 2.763,1260 3.735,1261 3.272,1262 7.971,1263 2.728,1264 1.656,1265 1.61,1266 1.869,1267 1.883,1268 1.123,1269 1.882,1270 1.648,1271 1.592,1272 1.867,1273 1.882,1274 1.093,1275 1.881,1276 1.642,1277 1.586,1278 1.821,1279 1.855,1280 1.033,1281 1.866,1282 1.594,1283 1.566,1284 1.734,1285 1.719,1286 1.032,1287 1.761,1288 1.5,1289 1.449,1290 1.68,1291 1.667,1292 0.866,1293 1.678,1294 1.406,1295 1.343,1296 1.651,1297 1.587,1298 0.846,1299 1.611,1300 1.294,1301 1.231,1302 1.531,1303 1.53,1304 0.659,1305 1.537,1306 1.274,1307 1.214,1308 1.523,1309 1.528,1310 0.656,1311 1.528,1312 4.111,1314 5.342,1315 3.045,1316 6.706,1317 5.283,1318 8.139,1319 7.248,1320 9.619,1322 8.18,1328 7.243,1329 3.251,1331 3.712,1333 4.214,1340 36.791,1341 99.356,1342 194.353,1343 267.549,1344 277.549,1345 283.549,1346 289.549,1347 55.991,1348 6.771,1349 57.15,1350 107.75,1351 10,1352 11.902,1353 3.585,1354 2.807,1355 66.67,1356 184,1357 139,1358 0.167,1359 240.217,1360 410.74,1361 577.89,1362 9620,1364 20.899,1365 0.721,1366 0.678,1367 21.606,1368 19.651,1369 14.025,1370 0.467,1371 0.405,1372 9.87,1373 12.41,1374 9.2,1375 7.752,1376 15.025,1377 12.154,1378 12.109,1379 0.327,1380 0.257,1381 13.104,1382 9.517,1383 8.134,1384 0.203,1385 0.144,1386 9.246,1387 5.747,1388 6.746,1389 0.138,1390 0.083,1391 7.795,1392 4.079,1393 4.331,1394 0.094,1395 0.056,1396 5.323,1397 2.57,1398 0.29,1399 98.345,1400 0.225,1401 29.596,1402 0.397,1403 134,1404 382.46,1405 185.96,1406 401.757,1407 530.78,1408 380,1409 144,1410 342.274,1411 190.476,1412 366.931,1413 520.11,1414 335,1415 5.523}
{0 CHEMBL120279,1 1.455,2 10.308,3 4.413,4 19.476,5 103.215,6 6.892,7 0.414,8 4.025,9 4.151,10 3.539,11 3.548,12 5.046,13 3.518,14 4.601,15 4.794,16 3.963,17 3.987,18 5.593,19 3.942,20 4.849,21 5.031,22 4.048,23 4.193,24 5.78,25 4.113,26 5.066,27 5.321,28 3.944,29 4.22,30 5.944,31 4.096,32 5.003,33 5.255,34 3.772,35 4.072,36 5.955,37 3.925,38 4.883,39 5.18,40 3.526,41 3.782,42 5.766,43 3.649,44 4.36,45 4.565,46 3.476,47 3.574,48 5.405,49 3.503,50 4.362,51 4.562,52 3.41,53 3.576,54 5.478,55 3.498,56 0.032,57 0.747,58 11.558,59 4.727,60 8.704,61 6.551,62 0.396,63 1.247,64 22.182,65 7.844,66 33.043,67 11.306,68 0.172,69 1.565,70 27.978,71 10.619,72 25.635,73 14.996,74 0.347,75 1.784,76 36.721,77 12.268,78 41.935,79 18.164,80 0.315,81 1.535,82 34.751,83 12.518,84 53.037,85 17.729,86 0.552,87 1.199,88 32.969,89 10.302,90 63.198,91 14.518,92 0.265,93 0.852,94 18.047,95 6.378,96 27.654,97 8.68,98 0.336,99 0.876,100 18.216,101 5.899,102 39.973,103 8.127,104 26,105 44,106 0.245,107 0.577,108 0.782,109 0.867,110 0.88,111 0.88,112 3.305,113 0.933,114 -4.53,115 -4.46,116 -4.2,121 41.2,122 2,123 1,125 1,126 2,127 1,130 1,144 7,145 2,146 3,161 1,176 10,179 2,180 7,183 2,185 2,187 11,192 8,197 3,200 9,206 9,211 3,214 4,218 1,219 11,224 2,227 2,231 1,232 3,237 1,239 4,243 1,244 2,247 1,249 2,251 10,255 1,259 1,264 10,269 2,277 9,281 916,282 17.187,283 17.187,284 17.187,285 17.187,286 17.187,287 15.567,288 25.391,289 9.728,290 17.546,291 14.261,292 14.261,293 14.261,294 14.261,295 14.261,296 11.799,297 35.698,298 4.577,299 14.84,300 4.217,301 2.251,302 1.033,303 0.53,304 0.451,305 0.451,306 3.995,311 1,312 1,313 588,314 3.464,317 99.71,318 140.056,320 80.476,321 85.259,324 119.323,325 1.515,326 18.263,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 55.5,338 268,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 4.19,349 3.679,350 6.211,351 3.814,352 2.842,353 3.788,354 0.966,355 8.84,356 2.765,357 3.969,358 2.913,359 6.169,360 3.622,361 2.662,362 3.314,363 0.693,364 8.696,365 2.552,366 3.654,367 2.81,368 6.054,369 3.383,370 2.445,371 2.869,372 0.366,373 8.453,374 2.281,375 3.465,376 2.742,377 5.435,378 3.272,379 2.337,380 2.592,382 7.121,383 2.17,384 3.295,385 2.501,386 4.856,387 2.937,388 1.969,389 2.423,391 5.405,392 1.889,393 2.875,394 1.747,395 4.698,396 2.441,397 1.493,398 2.039,400 4.387,401 1.414,402 2.806,403 1.669,404 4.216,405 2.414,406 1.414,407 1.915,409 3.552,410 1.411,411 2.615,412 1.472,413 4.081,414 2.347,415 1.361,416 1.629,418 3.06,419 1.334,420 2.517,421 1.171,422 3.722,423 2.127,424 1.133,425 1.521,427 2.958,428 1.126,429 1.785,430 0.933,431 3.595,432 1.695,433 0.73,434 0.761,436 1.822,437 0.702,438 1.415,439 0.744,440 3.088,441 1.129,442 0.181,443 0.212,445 0.445,446 0.169,447 1.228,448 0.483,449 2.987,450 0.856,451 -0.107,452 -0.131,454 -0.264,455 -0.102,456 0.787,457 -0.008,458 2.621,459 0.64,460 -0.301,461 -0.311,463 -0.744,464 -0.282,465 0.762,466 -0.046,467 2.427,468 0.41,469 -0.579,470 -0.701,472 -1.387,473 -0.562,474 12.367,475 0.476,476 0.86,477 0.033,478 32.25,479 1.24,480 15,481 0.577,482 17.25,483 0.663,484 23.669,485 0.91,486 28.433,487 0.558,488 23.546,489 0.906,490 6.204,491 0.239,492 6.194,493 0.238,494 0.189,495 0.04,496 0.348,501 0.812,502 1.438,503 0.842,504 1.17,505 0.638,506 1.03,507 0.706,508 0.871,509 0.783,510 0.771,511 0.396,512 0.769,513 1.006,514 1.396,515 1.082,516 1.256,517 0.725,518 1.192,519 1.04,520 0.997,521 1.089,522 1.027,523 0.694,524 1.04,525 1.07,526 1.159,527 1.071,528 1.245,529 1.23,530 1.178,531 1.757,532 0.569,533 0.85,534 0.576,535 1.736,536 0.613,537 1.497,538 1.002,539 1.004,540 0.982,541 1.542,542 0.956,543 1.862,544 0.922,545 1.301,546 0.944,547 2.644,548 1.041,549 6.5,550 0.183,551 4.222,552 3.646,553 1.668,554 0.764,555 0.612,556 0.3,557 0.286,558 0.246,559 8004,560 17242,561 2.069,562 49,563 6,564 15,565 1,567 1,569 2,572 1.689,573 1.891,574 3.291,575 -0.37,577 1,582 74.204,583 1.455,584 3.422,585 4.64,586 5.143,587 5.221,588 5.221,589 2.68,590 4.47,591 4.675,592 3.472,593 1128.55,594 8.088,595 13902.9,597 1,599 1,600 289.294,601 1.693,602 4.603,603 0.224,604 0.009,605 0.096,606 0.079,607 0.043,608 0.025,609 0.024,610 0.012,611 0.012,612 0.012,613 0.537,614 0.5,615 1,616 0.638,617 126.54,618 -0.003,619 -0.221,620 0.075,621 -0.08,622 -0.053,623 -0.007,624 0.288,625 0.283,626 0.187,627 0.23,628 0.248,629 0.205,630 -0.083,631 -0.293,632 -0.136,633 -0.221,634 -0.023,635 -0.194,636 -0.109,637 0.031,638 -0.109,639 -0.075,640 0.046,641 -0.079,642 0.037,643 -0.238,644 -0.081,645 -0.262,646 0.016,647 -0.196,648 -0.093,649 0.231,650 0.228,651 0.341,652 -0.11,653 0.323,654 0.005,655 -0.014,656 0.018,657 0.012,658 -0.035,659 0.007,660 -0.211,661 0.132,662 -0.262,663 0.013,664 -0.325,665 -0.116,666 2.129,667 5.306,668 0.692,669 21.189,670 0.994,671 1.127,672 3.302,673 10.901,674 0.653,675 3.401,676 3.807,677 4.143,678 4.477,679 4.673,680 4.727,681 4.905,682 4.977,683 4.984,684 5.056,685 6.137,686 0.614,687 351.49,688 3.401,689 4.99,690 5.883,691 6.815,692 7.73,693 8.669,694 9.597,695 10.542,696 11.479,697 12.428,698 5.9,701 1,704 1,705 1,715 7,720 5,722 12,736 1,737 1,741 51,743 13,744 2,745 29,747 54,748 21,749 12,750 5,751 7,756 4,757 7,763 2,764 1,766 1,767 1,770 1,772 13,773 8,777 1,782 1,786 1,790 1,793 25,794 5,795 1,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 4,868 26,876 2,877 1,878 1,880 1,881 2,882 1,893 3.9,896 1,898 1,901 13.75,902 10.4,903 5.514,904 3.024,907 2.186,908 1.286,909 0.967,910 4.204,911 9.832,912 3.611,913 4.205,914 4.736,915 5.284,916 5.764,917 5.905,918 6.237,919 6.504,920 6.633,921 6.831,922 0.857,923 46,924 9.639,926 4.146,927 0.026,929 7.599,931 18.778,933 15.981,936 2.099,937 54.583,939 1,940 1,941 282.506,942 129.308,943 24.259,945 36.145,948 129.308,949 318.651,950 24.259,951 34.443,952 22.651,953 66.334,954 25.145,955 34.377,956 18.534,957 270.735,959 282.506,960 153.567,961 36.145,964 258.964,965 59.687,968 43.426,969 110.141,972 282.506,973 60.404,974 129.308,977 282.506,978 28.531,979 107.026,980 18.011,981 36.145,982 282.506,983 60.404,984 129.308,986 0.603,987 0.367,988 0.205,989 0.107,990 24,991 11,992 0.056,993 3,994 2,995 1.222,996 3.705,997 230.381,998 0.222,999 18,1000 120.211,1005 17.379,1006 6.289,1007 2.812,1009 60.404,1010 13.624,1015 4.832,1017 18.011,1018 472.218,1019 36,1024 12.306,1028 -0.462,1031 50.68,1032 57.481,1034 0.256,1035 0.603,1036 0.818,1037 0.907,1038 0.92,1039 0.92,1040 4.913,1041 1.414,1042 5.938,1043 4.387,1044 4.489,1045 4.89,1046 2.466,1047 6.884,1048 4.414,1049 6.141,1050 1.361,1051 7.59,1052 3.552,1053 4.369,1054 4.808,1055 1.905,1056 8.26,1057 4.268,1058 7.484,1059 1.133,1060 9.361,1061 3.06,1062 6.248,1063 7.028,1064 3.531,1065 11.429,1066 6.112,1067 8.863,1068 0.73,1069 11.207,1070 2.958,1071 6.957,1072 7.703,1073 3.612,1074 13.709,1075 6.808,1076 10.279,1077 0.181,1078 13.107,1079 1.822,1080 8.401,1081 9.476,1082 4.913,1083 16.532,1084 8.227,1085 11.721,1086 -0.107,1087 15.046,1088 0.445,1089 9.469,1090 10.504,1091 5.293,1092 19.127,1093 9.285,1094 13.186,1095 -0.301,1096 17.016,1097 -0.264,1098 10.792,1099 12.094,1100 6.388,1101 21.876,1102 10.589,1103 3.737,1104 -0.579,1105 19.011,1106 -0.744,1107 12.007,1108 13.302,1109 6.931,1110 24.565,1111 11.791,1112 2.842,1113 15.306,1114 21.025,1115 -1.387,1116 13.308,1117 14.805,1118 7.902,1119 27.298,1120 13.073,1121 2.662,1122 8.84,1123 23.053,1124 4.206,1125 14.581,1126 16.108,1127 8.539,1128 30.015,1129 14.33,1130 2.445,1131 8.696,1132 25.094,1133 3.788,1134 15.884,1135 17.57,1136 9.436,1137 32.744,1138 15.613,1139 2.337,1140 8.453,1141 27.143,1142 3.314,1143 17.182,1144 18.925,1145 10.13,1146 35.469,1147 16.892,1148 1.969,1149 7.121,1150 29.2,1151 2.869,1152 18.49,1153 20.366,1154 10.981,1155 38.197,1156 18.18,1157 1.493,1158 5.405,1159 31.262,1160 2.592,1161 19.798,1162 21.752,1163 11.71,1164 40.925,1165 19.468,1166 7610,1167 11308,1168 18.898,1169 33.302,1170 45.042,1171 45.892,1172 47.433,1173 44.617,1174 44.606,1175 54.536,1176 8.422,1177 140.088,1178 42.94,1179 5.797,1180 5.973,1181 7.693,1182 5.805,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 14.249,1189 1.553,1190 1.582,1191 1.636,1192 1.539,1193 1.538,1194 1.881,1195 0.29,1196 4.831,1197 1.481,1198 4.093,1199 4.131,1200 4.04,1201 3.996,1202 7.435,1203 4.002,1204 3.926,1205 3.96,1206 3.864,1207 3.855,1208 4.843,1209 3.852,1210 3.699,1211 3.742,1212 3.616,1213 3.563,1214 4.746,1215 3.566,1216 3.398,1217 3.439,1218 3.337,1219 3.114,1220 4.445,1221 3.158,1222 3.272,1223 3.362,1224 3.101,1225 3.048,1226 4.143,1227 3.043,1228 3.227,1229 3.31,1230 3.036,1231 3.028,1232 3.938,1233 3.014,1234 3.169,1235 3.256,1236 2.962,1237 2.984,1238 3.898,1239 2.986,1240 2.976,1241 3.093,1242 2.709,1243 2.761,1244 3.876,1245 2.727,1246 0.167,1247 0.137,1248 0.276,1249 0.163,1250 0.129,1251 4.832,1252 0.145,1253 3.973,1254 0.075,1255 8.006,1256 0.528,1257 4.714,1258 0.126,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.919,1265 1.894,1266 2.036,1267 2.022,1268 1.31,1269 2.025,1270 1.897,1271 1.873,1272 2.002,1273 1.979,1274 1.135,1275 1.988,1276 1.633,1277 1.577,1278 1.832,1279 1.836,1280 1.057,1281 1.837,1282 1.534,1283 1.453,1284 1.787,1285 1.754,1286 1.012,1287 1.774,1288 1.255,1289 1.205,1290 1.58,1291 1.565,1292 0.644,1293 1.546,1294 1.209,1295 1.128,1296 1.553,1297 1.444,1298 0.604,1299 1.47,1300 1.147,1301 1.077,1302 1.453,1303 1.418,1304 0.563,1305 1.434,1306 1.014,1307 0.899,1308 1.312,1309 1.291,1310 0.347,1311 1.353,1312 4.078,1314 5.46,1315 3.045,1316 7.038,1317 5.638,1318 8.712,1319 7.921,1320 10.443,1322 8.576,1328 2.175,1329 2.818,1330 5.572,1332 0.355,1333 4.727,1334 0.06,1340 31.289,1341 74.204,1342 174.504,1343 236.623,1344 262.274,1345 266.274,1346 266.274,1347 38.752,1348 7.645,1349 44.81,1350 44.81,1351 22,1352 12.92,1353 3.807,1354 3,1355 38.2,1356 97,1357 90,1358 0.196,1359 190.52,1360 332.72,1361 456.628,1362 21498,1364 18.474,1365 0.711,1366 0.606,1367 18.474,1368 15.744,1369 12.398,1370 0.428,1371 0.311,1372 8.897,1373 11.945,1374 8.514,1375 7.113,1376 12.398,1377 9.021,1378 11.955,1379 0.272,1380 0.174,1381 11.955,1382 7.641,1383 10.344,1384 0.167,1385 0.095,1386 10.344,1387 5.894,1388 9.161,1389 0.105,1390 0.053,1391 9.161,1392 4.574,1393 7.141,1394 0.067,1395 0.028,1396 7.141,1397 3.006,1398 0.307,1399 77.47,1400 0.23,1401 24.921,1402 0.541,1403 146,1404 367.094,1405 159.359,1406 356.156,1407 497.69,1408 334,1409 179,1410 380.092,1411 192.808,1412 387.871,1413 572.96,1414 362,1415 8}
{0 CHEMBL1202865,1 1.273,2 14.839,3 6.225,4 38.748,5 131.476,6 6.55,7 0.514,8 4.216,9 4.353,10 3.695,11 3.802,12 5.147,13 3.744,14 4.798,15 4.994,16 4.02,17 4.23,18 5.629,19 4.135,20 5.138,21 5.385,22 4.116,23 4.43,24 5.881,25 4.294,26 5.224,27 5.503,28 3.998,29 4.388,30 5.926,31 4.22,32 5.152,33 5.443,34 3.898,35 4.276,36 5.878,37 4.116,38 5.01,39 5.3,40 3.69,41 4.137,42 5.714,43 3.958,44 4.863,45 5.152,46 3.569,47 4.009,48 5.533,49 3.83,50 4.774,51 5.063,52 3.493,53 3.926,54 5.454,55 3.751,56 0.097,57 0.922,58 14.731,59 6.137,60 11.189,61 8.763,62 0.194,63 1.56,64 27.024,65 10.537,66 19.059,67 15.379,68 0.264,69 2.055,70 38.434,71 14.941,72 27.115,73 21.953,74 0.285,75 2.153,76 42.349,77 15.678,78 30.618,79 23.468,80 0.34,81 2.008,82 39.907,83 13.48,84 35.428,85 20.664,86 0.307,87 1.726,88 34.498,89 12.122,90 30.004,91 18.326,92 0.207,93 1.471,94 29.512,95 10.969,96 22.322,97 16.394,98 0.23,99 1.357,100 27.092,101 9.893,102 22.191,103 14.797,105 47,106 0.204,107 0.499,108 0.683,109 0.792,110 0.848,111 0.855,112 3.471,113 1.011,114 -6.56,115 -6.39,116 -5.92,121 42.9,123 6,124 1,127 4,144 10,145 4,148 1,149 1,168 1,176 20,180 6,183 1,185 2,187 22,192 9,195 1,197 2,200 17,206 11,211 3,214 13,219 8,224 2,227 13,232 4,235 1,237 3,239 12,244 2,249 2,251 11,255 1,256 1,261 2,264 10,268 1,269 1,274 2,277 10,281 1623,282 21.792,283 21.792,284 21.792,285 21.792,286 21.792,287 19.628,288 25.409,289 13.255,290 22.037,291 17.358,292 17.358,293 17.358,294 17.358,295 17.358,296 14.154,297 32.058,298 6.364,299 17.743,300 4.704,301 2.86,302 1.712,303 1.026,304 0.679,305 0.635,306 4.191,312 1,313 1035,314 2.828,318 355.265,319 83.365,323 269.89,325 2.306,326 12.929,329 0.75,330 0.83,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.78,337 64,338 460,339 4.488,340 3.236,341 6.695,342 4.127,343 3.138,344 4.174,345 0.916,346 10.856,347 3.102,348 3.986,349 3.018,350 5.81,351 3.691,352 2.727,353 3.563,354 0.4,355 8.041,356 2.635,357 3.941,358 2.768,359 5.617,360 3.581,361 2.605,362 3.457,363 0.172,364 7.788,365 2.546,366 3.609,367 2.568,368 5.336,369 3.468,370 2.47,371 2.804,373 6.956,374 2.465,375 3.486,376 2.402,377 5.235,378 3.14,379 2.185,380 2.633,382 6.52,383 2.078,384 3.174,385 2.214,386 4.953,387 3.017,388 2.063,389 2.242,391 5.862,392 1.959,393 3.056,394 2.004,395 4.698,396 2.825,397 1.833,398 2.2,400 4.919,401 1.817,402 2.915,403 1.532,404 3.917,405 2.47,406 1.473,407 2.091,409 3.265,410 1.467,411 2.826,412 1.523,413 3.617,414 2.422,415 1.427,416 1.929,418 3.05,419 1.419,420 2.604,421 1.342,422 3.597,423 2.18,424 1.214,425 1.651,427 2.809,428 1.17,429 2.5,430 1.077,431 3.455,432 2.019,433 1.042,434 1.5,436 2.47,437 1.016,438 2.247,439 1.076,440 3.414,441 2,442 1,443 1.208,445 2.275,446 1,447 2.206,448 1,449 3.383,450 1.994,451 1,452 1.186,454 2.261,455 0.994,456 2,457 1,458 3.247,459 1.984,460 1,461 1,463 2.136,464 0.983,465 1.41,466 0.436,467 2.92,468 1.245,469 0.277,470 0.301,472 0.68,473 0.267,474 15.1,475 0.487,476 0.496,477 0.016,478 37.75,479 1.218,480 18.5,481 0.597,482 19.25,483 0.621,484 29.114,485 0.939,486 32.9,487 0.522,488 24.415,489 0.788,490 6.891,491 0.222,492 8.458,493 0.273,496 0.258,501 0.821,502 1.193,503 0.909,504 1.064,505 0.703,506 1.006,507 1.127,508 1.137,509 1.048,510 1.073,511 0.786,512 1.058,513 0.956,514 1.079,515 1.002,516 1.049,517 0.832,518 1.032,519 1.063,520 1.124,521 1.01,522 1.053,523 1.005,524 1.032,525 1.546,526 0.958,527 1.039,528 0.888,529 1.408,530 0.919,531 1.399,532 0.934,533 1.1,534 0.955,535 1.379,536 0.996,537 1.085,538 1.001,539 1.006,540 0.986,541 1.134,542 0.99,543 1.185,544 0.916,545 1.039,546 0.948,547 1.243,548 0.977,549 4.5,550 0.118,551 2.444,552 1.5,553 1.229,554 0.531,555 0.456,556 0.223,557 0.183,558 0.104,559 16692,560 31551,561 2.221,562 50.8,563 7,564 18,567 1,569 6,572 1.727,573 2.188,574 3.813,575 -0.457,582 80.187,583 1.273,584 3.117,585 4.265,586 4.951,587 5.299,588 5.342,589 3.256,590 4.543,591 4.926,592 4.008,593 1863.86,594 8.55,595 28539.8,600 376.569,601 0.824,602 4.929,603 0.129,604 0.005,605 0.052,606 0.03,607 0.029,608 0.014,609 0.015,610 0.008,611 0.007,612 0.004,613 0.294,614 0.33,615 0.75,617 165.955,618 0.183,619 -0.012,620 0.078,621 0.012,622 0.232,623 0.033,624 -0.008,625 -0.024,626 -0.054,627 -0.05,628 0.099,629 -0.055,630 0.033,631 -0.058,632 -0.018,633 -0.048,634 0.068,635 -0.039,636 -0.001,637 -0.146,638 -0.02,639 -0.085,640 0.013,641 -0.059,642 -0.152,643 0.048,644 -0.024,645 0.039,646 -0.145,647 0.021,648 -0.118,649 0.06,650 -0.095,651 -0.016,652 -0.204,653 -0.047,654 -0.049,655 -0.039,656 -0.018,657 -0.021,658 -0.105,659 -0.018,660 -0.039,661 0.064,662 -0.044,663 0.007,664 -0.144,665 -0.014,666 0.736,667 1.617,668 0.871,669 36.647,670 0.981,671 1.124,672 5.332,673 28.432,674 0.662,675 3.584,676 3.871,677 4.143,678 4.407,679 4.663,680 4.71,681 4.828,682 4.949,683 5.05,684 5.159,685 8.554,686 0.61,687 412.63,688 3.584,689 5.106,690 5.948,691 6.808,692 7.663,693 8.529,694 9.391,695 10.26,696 11.126,697 11.997,698 6.3,701 1,703 1,708 2,715 10,716 2,720 6,722 18,734 1,741 63,743 18,744 2,745 35,747 67,748 27,749 16,750 3,751 9,756 5,757 8,767 5,768 1,770 6,772 16,773 11,774 1,793 32,794 4,795 1,796 4,802 4,808 0.6,821 1,829 4,830 1,834 2,855 1,859 3,868 31,876 10,877 1,880 1,881 1,901 14.167,902 11.017,903 6.833,904 4.218,907 3.244,908 1.39,909 1.011,910 6.386,911 11.556,912 3.807,913 4.337,914 4.873,915 5.416,916 5.947,917 6.079,918 6.436,919 6.775,920 7.062,921 7.362,922 0.9,923 50,924 11.51,926 4.86,927 0.026,929 7.333,931 23.244,933 19.904,936 1.833,937 56.833,941 364.904,942 136.219,943 54.461,948 136.219,949 364.904,950 54.461,952 23.63,953 94.762,954 51.337,955 18.623,956 2.328,957 364.904,959 364.904,960 190.681,964 294.278,965 70.627,968 29.511,969 109.833,970 51.337,972 364.904,973 54.461,974 136.219,977 364.904,978 41.457,979 97.887,980 18.011,981 33.326,982 364.904,983 54.461,984 136.219,986 0.569,987 0.33,988 0.185,989 0.104,990 23,991 8,992 0.09,993 6,994 2,995 1.148,996 4.532,997 273.628,998 0.148,999 27,1000 145.58,1005 20.362,1006 9.723,1007 5.032,1009 54.461,1010 21.701,1011 9.121,1015 7.416,1017 18.011,1018 555.585,1019 44,1031 61.778,1032 70.806,1034 0.213,1035 0.522,1036 0.714,1037 0.828,1038 0.886,1039 0.894,1040 5.027,1041 1.473,1042 5.889,1043 4.919,1044 4.554,1045 5.024,1046 1.038,1047 6.645,1048 4.512,1049 6.175,1050 1.427,1051 7.401,1052 3.265,1053 3.892,1054 4.543,1055 0.325,1056 7.413,1057 3.821,1058 7.441,1059 1.214,1060 9.013,1061 3.05,1062 6.084,1063 7.1,1064 0.697,1065 10.527,1066 6.003,1067 8.741,1068 1.042,1069 10.689,1070 2.809,1071 6.293,1072 7.494,1073 0.393,1074 12.2,1075 6.19,1076 10.076,1077 1,1078 12.409,1079 2.47,1080 7.88,1081 9.481,1082 0.537,1083 14.807,1084 7.766,1085 11.437,1086 1,1087 14.161,1088 2.275,1089 8.528,1090 10.323,1091 0.384,1092 16.876,1093 8.399,1094 12.819,1095 1,1096 15.937,1097 2.261,1098 9.843,1099 12.039,1100 0.438,1101 19.323,1102 9.702,1103 3.138,1104 0.277,1105 17.731,1106 2.136,1107 10.722,1108 13.128,1109 0.351,1110 21.57,1111 10.571,1112 2.727,1113 10.856,1114 19.541,1115 0.68,1116 11.916,1117 14.701,1118 0.366,1119 23.968,1120 11.753,1121 2.605,1122 8.041,1123 21.365,1124 4.174,1125 12.916,1126 15.932,1127 0.312,1128 26.291,1129 12.744,1130 2.47,1131 7.788,1132 23.199,1133 3.563,1134 14.06,1135 17.43,1136 0.309,1137 28.677,1138 13.878,1139 2.185,1140 6.956,1141 25.043,1142 3.457,1143 15.123,1144 18.741,1145 0.273,1146 31.034,1147 14.932,1148 2.063,1149 6.52,1150 26.896,1151 2.804,1152 16.251,1153 20.2,1154 0.262,1155 33.416,1156 16.05,1157 1.833,1158 5.862,1159 28.755,1160 2.633,1161 17.346,1162 21.559,1163 0.236,1164 35.788,1165 17.137,1166 15125,1167 20931,1168 24.731,1169 41.682,1170 51.182,1171 51.175,1172 51.362,1173 50.951,1174 50.91,1175 63.878,1176 2.978,1177 139.777,1178 49.838,1179 5.488,1180 5.236,1181 6.497,1182 5.173,1183 5.138,1184 7.174,1185 1.605,1186 18.011,1187 5.102,1189 1.462,1190 1.462,1191 1.467,1192 1.456,1193 1.455,1194 1.825,1195 0.085,1196 3.994,1197 1.424,1198 4.053,1199 4.09,1200 4,1201 3.979,1202 5.04,1203 3.979,1204 3.95,1205 3.995,1206 3.864,1207 3.867,1208 4.756,1209 3.86,1210 3.831,1211 3.878,1212 3.724,1213 3.728,1214 4.68,1215 3.719,1216 3.733,1217 3.781,1218 3.663,1219 3.623,1220 4.335,1221 3.627,1222 3.503,1223 3.577,1224 3.351,1225 3.339,1226 4.129,1227 3.332,1228 3.405,1229 3.481,1230 3.254,1231 3.237,1232 4.066,1233 3.231,1234 3.164,1235 3.245,1236 3.015,1237 3.002,1238 3.815,1239 2.994,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.745,1245 2.91,1246 0.128,1247 0.092,1248 0.191,1249 0.118,1250 0.09,1251 4.488,1252 0.119,1253 3.236,1254 0.026,1255 6.695,1256 0.31,1257 4.127,1258 0.089,1259 3.138,1260 4.174,1261 0.916,1262 10.856,1263 3.102,1264 1.953,1265 1.929,1266 2.101,1267 2.073,1268 1.481,1269 2.085,1270 1.933,1271 1.896,1272 2.047,1273 2.037,1274 1.291,1275 2.037,1276 1.846,1277 1.798,1278 2.015,1279 1.963,1280 1.185,1281 1.983,1282 1.799,1283 1.754,1284 1.959,1285 1.93,1286 1.16,1287 1.946,1288 1.499,1289 1.424,1290 1.748,1291 1.716,1292 1,1293 1.735,1294 1.38,1295 1.313,1296 1.605,1297 1.572,1298 0.825,1299 1.589,1300 1.168,1301 1.096,1302 1.513,1303 1.379,1304 0.745,1305 1.429,1306 1.153,1307 1.064,1308 1.449,1309 1.376,1310 0.671,1311 1.407,1312 4.263,1314 5.557,1316 7.048,1317 2.708,1318 8.628,1319 5.293,1320 10.253,1328 11.647,1329 3.55,1332 0.806,1333 2.592,1340 38.461,1341 80.187,1342 196.382,1343 268.72,1344 311.939,1345 333.814,1346 336.569,1347 39.609,1348 8.312,1349 41.05,1350 41.05,1351 31,1352 12.54,1353 4.248,1354 3.322,1355 44.171,1356 163,1357 153,1358 0.13,1359 233.627,1360 401.4,1361 561.811,1362 60109,1364 20.882,1365 0.674,1366 0.589,1367 20.882,1368 18.264,1369 15.348,1370 0.439,1371 0.337,1372 11.72,1373 15.045,1374 11.47,1375 9.49,1376 15.348,1377 11.8,1378 13.3,1379 0.283,1380 0.192,1381 13.3,1382 9.035,1383 11.4,1384 0.184,1385 0.111,1386 11.4,1387 6.852,1388 9.688,1389 0.12,1390 0.062,1391 9.688,1392 5.052,1393 8.24,1394 0.078,1395 0.036,1396 8.24,1397 3.771,1398 0.214,1399 94.066,1400 0.201,1401 30.067,1402 0.329,1403 164,1404 339.268,1405 171.299,1406 343.096,1407 489.08,1408 326,1409 191,1410 374.265,1411 199.437,1412 384.295,1413 559.05,1414 364,1415 6.921}
{0 CHEMBL1202874,1 1.36,2 14.714,3 5.901,4 34.821,5 121.307,6 7.084,7 0.581,8 4.073,9 4.198,10 3.659,11 3.716,12 5.045,13 3.634,14 4.622,15 4.803,16 3.967,17 4.109,18 5.488,19 3.989,20 4.917,21 5.156,22 3.969,23 4.238,24 5.674,25 4.069,26 4.963,27 5.243,28 3.818,29 4.165,30 5.659,31 3.962,32 4.882,33 5.169,34 3.771,35 4.087,36 5.589,37 3.885,38 4.727,39 4.987,40 3.692,41 4.004,42 5.454,43 3.805,44 4.634,45 4.895,46 3.586,47 3.908,48 5.347,49 3.704,50 4.551,51 4.817,52 3.447,53 3.8,54 5.279,55 3.591,56 0.079,57 0.775,58 12.692,59 5.539,60 10.337,61 7.507,62 0.152,63 1.323,64 25.072,65 9.52,66 16.654,67 12.872,68 0.204,69 1.689,70 34.912,71 13.242,72 23.39,73 17.954,74 0.226,75 1.717,76 36.632,77 13.779,78 26.012,79 18.791,80 0.239,81 1.599,82 36.084,83 12.946,84 27.27,85 17.208,86 0.199,87 1.39,88 31.169,89 11.278,90 21.427,91 14.924,92 0.154,93 1.244,94 26.895,95 10.312,96 17.952,97 13.739,98 0.189,99 1.164,100 26.25,101 9.551,102 19.385,103 12.465,105 40,106 0.224,107 0.493,108 0.671,109 0.787,110 0.821,111 0.827,112 3.373,113 1.078,114 -5.94,115 -5.8,116 -5.4,121 43.6,123 3,124 1,127 4,144 12,145 2,148 1,149 1,168 1,176 16,180 7,187 18,192 9,200 11,206 8,214 9,219 6,227 11,232 5,239 13,244 2,251 11,255 1,256 1,264 8,268 1,269 1,277 9,281 1296,282 19.637,283 19.637,284 19.637,285 19.637,286 19.637,287 17.474,288 13.138,289 12.14,290 20.036,291 15.37,292 15.37,293 15.37,294 15.37,295 15.37,296 12.309,297 14.924,298 5.853,299 16.002,300 4.421,301 2.789,302 1.71,303 1.009,304 0.8,305 0.764,306 4.08,312 1,313 908,314 2.646,318 426.529,325 2.429,326 9.194,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 57.5,338 412,339 4.244,340 4.406,341 6.143,342 3.847,343 2.87,344 3.889,345 2.95,346 9.054,347 2.81,348 3.941,349 3.02,350 5.617,351 3.689,352 2.727,353 3.457,354 0.916,355 7.789,356 2.632,357 3.802,358 2.888,359 5.353,360 3.474,361 2.492,362 3.302,363 0.172,364 6.999,365 2.465,366 3.602,367 2.732,368 5.304,369 3.33,370 2.414,371 2.642,373 6.866,374 2.189,375 3.273,376 2.521,377 4.953,378 3.031,379 2.079,380 2.583,382 5.864,383 1.969,384 3.172,385 2.174,386 4.447,387 2.787,388 1.822,389 2.242,391 4.518,392 1.741,393 2.827,394 1.887,395 3.599,396 2.421,397 1.428,398 1.929,400 3.05,401 1.417,402 2.655,403 1.515,404 3.532,405 2.202,406 1.258,407 1.723,409 2.791,410 1.175,411 2.5,412 1.265,413 3.414,414 2,415 1.052,416 1.5,418 2.432,419 1,420 2.5,421 1.077,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1,431 3.409,432 1.994,433 1,434 1.5,436 2.275,437 0.983,438 2.206,439 1,440 3.247,441 1.984,442 1,443 1.186,445 2.136,446 0.982,447 2,448 1,449 3.247,450 1.983,451 1,452 1,454 2.136,455 0.974,456 1.389,457 0.656,458 2.884,459 1.2,460 0.268,461 0.29,463 0.652,464 0.246,465 1.156,466 0.479,467 2.638,468 0.887,469 -0.058,470 -0.067,472 -0.144,473 -0.054,474 14.033,475 0.501,476 0.393,477 0.014,478 35.25,479 1.259,480 18.5,481 0.661,482 16.75,483 0.598,484 24.097,485 0.861,486 29.167,487 0.53,488 21.25,489 0.759,490 6.475,491 0.231,492 7.39,493 0.264,496 0.207,501 0.693,502 1.096,503 0.812,504 0.952,505 0.666,506 0.961,507 1.2,508 1.192,509 1.105,510 1.119,511 0.807,512 1.07,513 1.009,514 1.148,515 1.073,516 1.115,517 0.773,518 1.077,519 1.091,520 1.011,521 0.967,522 0.966,523 0.89,524 0.985,525 1.273,526 0.879,527 1.073,528 0.922,529 1.081,530 0.869,531 1.176,532 1.011,533 1.223,534 1.113,535 1.185,536 1.029,537 1.033,538 1.019,539 1.083,540 1.048,541 1.189,542 1.037,543 1.214,544 0.973,545 1.289,546 1.124,547 1.354,548 1.045,549 4,550 0.074,551 2,552 0.75,553 0.667,554 0.5,555 0.441,556 0.151,557 0.127,558 0.114,559 12975,560 27380,561 2.182,562 49.1,563 1,564 20,569 6,572 1.699,573 2.154,574 3.827,575 -0.848,582 74.799,583 1.36,584 2.992,585 4.072,586 4.772,587 4.981,588 5.018,589 3.253,590 3.995,591 4.778,592 4.009,593 1515.54,594 8.247,595 22200.1,600 317.975,601 0.75,602 4.784,603 0.129,604 0.004,605 0.05,606 0.02,607 0.022,608 0.017,609 0.016,610 0.006,611 0.006,612 0.006,613 0.275,614 0.5,615 0.88,617 146.695,618 0.243,619 -0.001,620 0.087,621 0.027,622 0.239,623 0.024,624 -0.059,625 -0.111,626 -0.071,627 -0.102,628 0.064,629 -0.093,630 -0.002,631 -0.147,632 -0.055,633 -0.111,634 0.105,635 -0.094,636 -0.025,637 -0.043,638 0.014,639 -0.001,640 0.068,641 -0.012,642 -0.076,643 0.116,644 0.039,645 0.104,646 -0.013,647 0.109,648 -0.09,649 -0.003,650 -0.07,651 -0.045,652 -0.169,653 -0.038,654 -0.057,655 -0.038,656 -0.023,657 -0.024,658 -0.166,659 -0.047,660 -0.047,661 0.041,662 -0.119,663 -0.058,664 -0.224,665 -0.06,666 0.726,667 1.401,668 0.857,669 34.898,670 0.982,671 1.116,672 4.715,673 22.229,674 0.687,675 3.466,676 3.714,677 3.932,678 4.127,679 4.344,680 4.263,681 4.369,682 4.419,683 4.466,684 4.533,685 8.504,686 0.629,687 389.61,688 3.466,689 4.963,690 5.778,691 6.608,692 7.433,693 8.267,694 9.096,695 9.931,696 10.762,697 11.598,698 5.5,701 1,708 2,715 12,716 2,720 4,722 18,741 55,743 18,744 2,745 31,747 58,748 24,749 16,750 2,751 10,756 4,757 4,767 2,768 1,770 3,772 16,773 8,774 1,793 27,794 3,796 4,797 1,802 3,808 1,821 1,829 4,855 1,859 4,860 1,862 1,868 28,876 7,879 1,880 1,881 1,901 13,902 9.6,903 6.278,904 3.502,907 2.934,908 1.392,909 0.99,910 6.753,911 10.416,912 3.714,913 4.212,914 4.707,915 5.199,916 5.709,917 5.678,918 6.029,919 6.279,920 6.495,921 6.705,922 0.9,923 38,924 10.361,926 4.276,927 0.026,929 7.369,931 20.766,933 17.275,936 1.869,937 52.333,941 317.82,942 171.005,943 36.45,947 32.22,948 138.785,949 317.82,950 36.45,952 14.82,953 113.715,954 33.326,955 12.252,956 1.122,957 350.039,959 317.82,960 175.236,962 32.22,964 247.193,965 70.627,968 20.701,969 121.208,970 33.326,971 32.22,972 317.82,973 36.45,974 171.005,977 317.82,978 57.29,979 116.839,981 33.326,982 317.82,983 36.45,984 171.005,986 0.561,987 0.317,988 0.169,989 0.094,990 18,991 6,992 0.121,993 7,995 1,996 4.365,997 222.454,999 24,1000 122.606,1001 1,1005 19.173,1006 9.863,1007 5.674,1009 36.45,1010 25.218,1011 8.788,1015 4.514,1018 525.275,1019 40,1031 53.985,1032 61.397,1034 0.235,1035 0.518,1036 0.704,1037 0.825,1038 0.862,1039 0.868,1040 4.902,1041 1.258,1042 5.694,1043 3.05,1044 4.394,1045 4.898,1046 2.991,1047 6.382,1048 4.321,1049 6.032,1050 1.052,1051 7.165,1052 2.791,1053 3.611,1054 4.205,1055 0.325,1056 6.986,1057 3.483,1058 7.272,1059 1,1060 8.731,1061 2.432,1062 5.866,1063 6.919,1064 5.033,1065 10.04,1066 5.727,1067 8.541,1068 1,1069 10.355,1070 2.275,1071 5.943,1072 7.072,1073 0.393,1074 11.512,1075 5.755,1076 9.843,1077 1,1078 12.019,1079 2.275,1080 7.58,1081 9.212,1082 7.185,1083 14.008,1084 7.385,1085 11.167,1086 1,1087 13.71,1088 2.136,1089 8.086,1090 9.808,1091 0.384,1092 15.852,1093 7.852,1094 12.509,1095 0.268,1096 15.42,1097 2.136,1098 9.423,1099 11.645,1100 9.348,1101 18.144,1102 9.178,1103 2.87,1104 -0.058,1105 17.144,1106 0.652,1107 10.163,1108 12.506,1109 0.351,1110 20.163,1111 9.887,1112 2.727,1113 9.054,1114 18.879,1115 -0.144,1116 11.345,1117 14.16,1118 11.511,1119 22.379,1120 11.056,1121 2.492,1122 7.789,1123 20.624,1124 3.889,1125 12.215,1126 15.191,1127 0.312,1128 24.484,1129 11.9,1130 2.414,1131 6.999,1132 22.375,1133 3.457,1134 13.319,1135 16.729,1136 13.675,1137 26.675,1138 12.988,1139 2.079,1140 6.866,1141 24.133,1142 3.302,1143 14.262,1144 17.872,1145 0.273,1146 28.823,1147 13.907,1148 1.822,1149 5.864,1150 25.897,1151 2.642,1152 15.327,1153 19.337,1154 15.838,1155 31.009,1156 14.955,1157 1.428,1158 4.518,1159 27.665,1160 2.583,1161 16.31,1162 20.554,1163 0.236,1164 33.179,1165 15.916,1166 11983,1167 17562,1168 21.841,1169 37.802,1170 45.092,1171 47.712,1172 44.982,1173 44.879,1174 44.819,1175 57.486,1176 8.078,1177 117.672,1178 43.162,1179 5.244,1180 6.406,1181 5.945,1182 4.954,1183 4.87,1184 6.889,1185 5.9,1186 15.117,1187 4.81,1189 1.455,1190 1.539,1191 1.451,1192 1.448,1193 1.446,1194 1.854,1195 0.261,1196 3.796,1197 1.392,1198 3.99,1199 4.031,1200 4.029,1201 3.915,1202 5.035,1203 3.908,1204 3.936,1205 3.975,1206 3.86,1207 3.859,1208 4.756,1209 3.854,1210 3.824,1211 3.87,1212 3.812,1213 3.74,1214 4.694,1215 3.718,1216 3.7,1217 3.741,1218 3.679,1219 3.616,1220 4.321,1221 3.598,1222 3.425,1223 3.497,1224 3.421,1225 3.297,1226 3.956,1227 3.263,1228 3.135,1229 3.206,1230 3.117,1231 3.036,1232 3.884,1233 2.997,1234 3.111,1235 3.204,1236 2.866,1237 2.941,1238 3.77,1239 2.91,1240 2.918,1241 2.965,1242 2.82,1243 2.835,1244 3.674,1245 2.816,1246 0.137,1247 0.142,1248 0.198,1249 0.124,1250 0.093,1251 4.244,1252 0.125,1253 4.406,1254 0.095,1255 6.143,1256 0.292,1257 3.847,1258 0.091,1259 2.87,1260 3.889,1261 2.95,1262 9.054,1263 2.81,1264 1.941,1265 1.913,1266 2.097,1267 2.064,1268 1.482,1269 2.08,1270 1.932,1271 1.895,1272 2.04,1273 2.027,1274 1.165,1275 2.032,1276 1.837,1277 1.79,1278 2.01,1279 1.948,1280 1.115,1281 1.972,1282 1.668,1283 1.633,1284 1.763,1285 1.796,1286 1.008,1287 1.804,1288 1.42,1289 1.353,1290 1.666,1291 1.612,1292 0.825,1293 1.643,1294 1.153,1295 1.087,1296 1.513,1297 1.376,1298 0.795,1299 1.429,1300 1.149,1301 1.064,1302 1.429,1303 1.332,1304 0.67,1305 1.379,1306 0.925,1307 0.883,1308 1.181,1309 1.062,1310 0.404,1311 1.107,1312 4.143,1314 5.407,1316 6.87,1318 8.412,1320 9.992,1328 8.546,1331 1.834,1332 0.844,1333 2.59,1340 34.573,1341 74.799,1342 164.577,1343 223.936,1344 262.465,1345 273.975,1346 275.975,1347 35.392,1348 7.482,1349 29.02,1350 54.32,1351 24,1352 12.167,1353 4.248,1354 3.322,1355 42.999,1356 146,1357 122,1358 0.14,1359 216.58,1360 369.37,1361 520.216,1362 21409,1364 19.02,1365 0.679,1366 0.608,1367 19.374,1368 17.022,1369 13.865,1370 0.447,1371 0.359,1372 10.176,1373 13.143,1374 9.845,1375 8.17,1376 14.319,1377 11.135,1378 11.736,1379 0.293,1380 0.215,1381 12.346,1382 8.58,1383 9.79,1384 0.196,1385 0.128,1386 10.403,1387 6.395,1388 7.899,1389 0.129,1390 0.077,1391 8.509,1392 4.688,1393 6.518,1394 0.086,1395 0.046,1396 7.123,1397 3.53,1398 0.234,1399 89.254,1400 0.214,1401 27.989,1402 0.349,1403 142,1404 313.796,1405 170.362,1406 337.4,1407 471.22,1408 320,1409 161,1410 336.632,1411 184.559,1412 358.237,1413 515.92,1414 338,1415 6.328}
{0 CHEMBL1202875,1 1.36,2 14.714,3 5.343,4 28.544,5 114.864,6 6.792,7 0.581,8 4.081,9 4.207,10 3.587,11 3.656,12 5.078,13 3.608,14 4.635,15 4.817,16 3.879,17 4.041,18 5.545,19 3.96,20 4.928,21 5.167,22 3.879,23 4.171,24 5.726,25 4.04,26 4.972,27 5.251,28 3.72,29 4.093,30 5.697,31 3.93,32 4.895,33 5.181,34 3.663,35 3.992,36 5.641,37 3.845,38 4.742,39 5.003,40 3.568,41 3.909,42 5.522,43 3.764,44 4.645,45 4.907,46 3.461,47 3.813,48 5.405,49 3.662,50 4.566,51 4.833,52 3.343,53 3.701,54 5.342,55 3.55,56 0.073,57 0.775,58 12.323,59 5.355,60 9.827,61 7.333,62 0.213,63 1.275,64 22.618,65 8.737,66 20.831,67 12.314,68 0.281,69 1.606,70 31.291,71 11.909,72 29.031,73 17.085,74 0.261,75 1.624,76 33.399,77 12.19,78 28.103,79 17.848,80 0.303,81 1.483,82 31.37,83 10.877,84 31.563,85 15.918,86 0.297,87 1.284,88 26.557,89 9.631,90 27.614,91 13.826,92 0.186,93 1.168,94 23.865,95 8.942,96 21.639,97 12.854,98 0.244,99 1.076,100 22.362,101 7.953,102 24.156,103 11.416,105 40,106 0.224,107 0.493,108 0.671,109 0.787,110 0.821,111 0.827,112 3.373,113 0.982,114 -5.95,115 -5.8,116 -5.4,121 43.6,123 3,124 1,127 4,144 12,145 2,148 1,149 1,168 1,176 16,179 1,180 8,187 16,191 1,192 10,200 9,206 10,214 7,219 7,227 10,231 1,232 6,239 11,244 4,251 9,255 1,256 3,264 6,268 1,269 3,277 7,281 1296,282 19.637,283 19.637,284 19.637,285 19.637,286 19.637,287 17.474,288 15.618,289 12.14,290 19.958,291 15.37,292 15.37,293 15.37,294 15.37,295 15.37,296 12.309,297 19.043,298 5.853,299 15.877,300 4.421,301 2.789,302 1.71,303 1.009,304 0.8,305 0.764,306 4.08,311 1,312 1,313 908,314 2.646,318 426.529,325 2.429,326 12.438,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 58.5,338 412,339 4.244,340 3.019,341 6.143,342 3.849,343 2.87,344 3.889,345 0.916,346 9.054,347 2.813,348 3.941,349 2.953,350 5.617,351 3.69,352 2.727,353 3.457,354 0.86,355 7.789,356 2.633,357 3.802,358 2.735,359 5.353,360 3.477,361 2.492,362 3.302,363 0.172,364 6.999,365 2.467,366 3.602,367 2.553,368 5.304,369 3.352,370 2.414,371 2.642,373 6.866,374 2.246,375 3.273,376 2.236,377 4.953,378 3.032,379 2.079,380 2.583,382 5.864,383 1.971,384 3.172,385 1.892,386 4.447,387 2.794,388 1.822,389 2.242,391 4.518,392 1.763,393 2.827,394 1.547,395 3.599,396 2.422,397 1.428,398 1.929,400 3.05,401 1.418,402 2.655,403 1.48,404 3.532,405 2.217,406 1.258,407 1.723,409 2.791,410 1.2,411 2.5,412 1.137,413 3.414,414 2.01,415 1.052,416 1.5,418 2.432,419 1.001,420 2.5,421 1.077,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1,431 3.409,432 2,433 1,434 1.5,436 2.275,437 1,438 2.206,439 1,440 3.247,441 1.984,442 1,443 1.186,445 2.136,446 0.983,447 2,448 1,449 3.247,450 1.983,451 1,452 1,454 2.136,455 0.982,456 1.389,457 0.471,458 2.884,459 1.217,460 0.268,461 0.29,463 0.652,464 0.252,465 1.156,466 0.179,467 2.638,468 0.901,469 -0.058,470 -0.067,472 -0.144,473 -0.056,474 13.533,475 0.483,476 0.393,477 0.014,478 35.75,479 1.277,480 18.5,481 0.661,482 17.25,483 0.616,484 22.516,485 0.804,486 29.667,487 0.539,488 22.831,489 0.815,490 6.933,491 0.248,492 6.932,493 0.248,496 0.214,501 0.763,502 1.202,503 0.86,504 1.102,505 0.702,506 1.01,507 1.189,508 1.159,509 1.063,510 1.083,511 0.861,512 1.064,513 1.04,514 1.113,515 1.046,516 1.08,517 0.836,518 1.068,519 1.03,520 1.045,521 0.995,522 1.01,523 0.915,524 0.998,525 1.366,526 0.854,527 0.947,528 0.817,529 1.202,530 0.837,531 1.345,532 0.921,533 1.072,534 0.953,535 1.29,536 0.984,537 1.15,538 1.047,539 1.04,540 1.054,541 1.198,542 1.041,543 1.474,544 0.911,545 1.105,546 0.953,547 1.476,548 0.992,549 4,550 0.074,551 2,552 0.75,553 0.667,554 0.5,555 0.441,556 0.151,557 0.127,558 0.114,559 12975,560 27380,561 2.182,562 49.1,563 1,564 20,569 6,572 1.699,573 2.154,574 3.827,575 -0.848,582 74.799,583 1.36,584 2.992,585 4.072,586 4.772,587 4.981,588 5.018,589 3.253,590 3.995,591 4.778,592 4.009,593 1515.54,594 8.247,595 22200.1,600 317.975,601 0.75,602 4.784,603 0.129,604 0.004,605 0.05,606 0.02,607 0.022,608 0.017,609 0.016,610 0.006,611 0.006,612 0.006,613 0.275,614 0.33,615 0.88,617 146.695,618 0.142,619 -0.056,620 0.078,621 -0.04,622 0.176,623 0.002,624 0.004,625 -0.066,626 -0.086,627 -0.079,628 0.092,629 -0.089,630 0.024,631 -0.114,632 -0.063,633 -0.095,634 0.105,635 -0.09,636 -0.024,637 -0.085,638 -0.002,639 -0.051,640 0.043,641 -0.028,642 -0.091,643 0.105,644 0.072,645 0.123,646 -0.06,647 0.116,648 -0.039,649 0.054,650 -0.064,651 0.009,652 -0.141,653 -0.023,654 -0.05,655 -0.085,656 -0.048,657 -0.08,658 -0.117,659 -0.066,660 -0.107,661 0.064,662 -0.089,663 -0.004,664 -0.231,665 -0.039,666 1.054,667 2.335,668 0.857,669 34.898,670 0.986,671 1.122,672 4.719,673 22.268,674 0.666,675 3.466,676 3.714,677 3.932,678 4.127,679 4.344,680 4.263,681 4.369,682 4.419,683 4.466,684 4.533,685 8.504,686 0.62,687 373.54,688 3.466,689 4.963,690 5.778,691 6.608,692 7.433,693 8.267,694 9.096,695 9.931,696 10.762,697 11.598,698 5.5,701 1,708 2,715 12,716 2,720 4,722 18,739 1,741 55,743 18,744 2,745 31,747 58,748 24,749 16,750 2,751 10,756 4,757 4,767 2,768 1,770 3,772 16,773 8,774 1,793 27,794 4,796 4,802 3,808 1,809 1,821 1,829 4,855 1,859 4,868 28,876 7,878 1,880 1,881 1,893 1.8,898 1,901 13,902 9.6,903 6.278,904 3.502,907 2.934,908 1.392,909 0.983,910 6.439,911 10.416,912 3.714,913 4.212,914 4.707,915 5.199,916 5.709,917 5.678,918 6.029,919 6.279,920 6.495,921 6.705,922 0.9,923 38,924 10.352,926 4.273,927 0.026,929 7.429,931 20.561,933 16.95,936 1.929,937 54,941 317.82,942 146.171,943 36.45,945 11,948 146.171,949 328.82,950 36.45,952 18.513,953 113.715,954 33.326,955 23.252,956 4.815,957 317.82,959 317.82,960 182.621,961 11,964 247.193,965 81.626,968 24.394,969 124.901,970 33.326,972 317.82,973 47.45,974 146.171,977 317.82,978 32.456,979 116.839,981 44.326,982 317.82,983 47.45,984 146.171,986 0.561,987 0.317,988 0.169,989 0.094,990 18,991 6,992 0.121,993 7,995 1,996 4.365,997 222.454,999 24,1000 122.606,1005 18.801,1006 9.59,1007 5.485,1009 47.45,1010 24.716,1011 8.499,1015 3.963,1018 511.441,1019 40,1031 54.236,1032 61.687,1034 0.235,1035 0.518,1036 0.704,1037 0.825,1038 0.862,1039 0.868,1040 4.902,1041 1.258,1042 5.694,1043 3.05,1044 4.394,1045 4.898,1046 1.382,1047 6.382,1048 4.333,1049 6.032,1050 1.052,1051 7.165,1052 2.791,1053 3.611,1054 4.205,1055 0.325,1056 6.986,1057 3.499,1058 7.272,1059 1,1060 8.731,1061 2.432,1062 5.866,1063 6.919,1064 1.115,1065 10.04,1066 5.745,1067 8.541,1068 1,1069 10.355,1070 2.275,1071 5.943,1072 7.072,1073 0.393,1074 11.512,1075 5.776,1076 9.843,1077 1,1078 12.019,1079 2.275,1080 7.58,1081 9.212,1082 0.921,1083 14.008,1084 7.405,1085 11.167,1086 1,1087 13.71,1088 2.136,1089 8.086,1090 9.808,1091 0.384,1092 15.852,1093 7.874,1094 12.509,1095 0.268,1096 15.42,1097 2.136,1098 9.423,1099 11.645,1100 0.764,1101 18.144,1102 9.199,1103 2.87,1104 -0.058,1105 17.144,1106 0.652,1107 10.163,1108 12.506,1109 0.351,1110 20.163,1111 9.909,1112 2.727,1113 9.054,1114 18.879,1115 -0.144,1116 11.345,1117 14.16,1118 0.634,1119 22.379,1120 11.077,1121 2.492,1122 7.789,1123 20.624,1124 3.889,1125 12.215,1126 15.191,1127 0.312,1128 24.484,1129 11.921,1130 2.414,1131 6.999,1132 22.375,1133 3.457,1134 13.319,1135 16.729,1136 0.525,1137 26.675,1138 13.008,1139 2.079,1140 6.866,1141 24.133,1142 3.302,1143 14.262,1144 17.872,1145 0.273,1146 28.823,1147 13.927,1148 1.822,1149 5.864,1150 25.897,1151 2.642,1152 15.327,1153 19.337,1154 0.433,1155 31.009,1156 14.975,1157 1.428,1158 4.518,1159 27.665,1160 2.583,1161 16.31,1162 20.554,1163 0.236,1164 33.179,1165 15.936,1166 11983,1167 17562,1168 21.841,1169 36.608,1170 45.092,1171 45.076,1172 44.982,1173 44.864,1174 44.819,1175 57.486,1176 3.898,1177 117.672,1178 43.456,1179 5.244,1180 5.019,1181 5.945,1182 4.912,1183 4.87,1184 6.889,1185 1.776,1186 15.117,1187 4.813,1189 1.455,1190 1.454,1191 1.451,1192 1.447,1193 1.446,1194 1.854,1195 0.126,1196 3.796,1197 1.402,1198 3.993,1199 4.034,1200 3.932,1201 3.905,1202 5.092,1203 3.904,1204 3.936,1205 3.975,1206 3.859,1207 3.859,1208 4.756,1209 3.854,1210 3.826,1211 3.871,1212 3.715,1213 3.723,1214 4.719,1215 3.713,1216 3.708,1217 3.749,1218 3.641,1219 3.57,1220 4.415,1221 3.583,1222 3.433,1223 3.504,1224 3.288,1225 3.245,1226 4.269,1227 3.244,1228 3.147,1229 3.214,1230 3.002,1231 2.982,1232 3.885,1233 2.974,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.823,1239 2.91,1240 2.925,1241 2.973,1242 2.81,1243 2.816,1244 3.674,1245 2.81,1246 0.137,1247 0.097,1248 0.198,1249 0.124,1250 0.093,1251 4.244,1252 0.125,1253 3.019,1254 0.03,1255 6.143,1256 0.292,1257 3.849,1258 0.091,1259 2.87,1260 3.889,1261 0.916,1262 9.054,1263 2.813,1264 1.94,1265 1.911,1266 2.099,1267 2.069,1268 1.478,1269 2.082,1270 1.932,1271 1.895,1272 2.041,1273 2.034,1274 1.16,1275 2.035,1276 1.836,1277 1.787,1278 2.011,1279 1.951,1280 1.113,1281 1.974,1282 1.661,1283 1.624,1284 1.788,1285 1.829,1286 0.973,1287 1.82,1288 1.414,1289 1.344,1290 1.674,1291 1.632,1292 0.825,1293 1.65,1294 1.153,1295 1.077,1296 1.513,1297 1.376,1298 0.779,1299 1.429,1300 1.143,1301 1.064,1302 1.437,1303 1.359,1304 0.663,1305 1.388,1306 0.919,1307 0.877,1308 1.181,1309 1.09,1310 0.382,1311 1.111,1312 4.143,1314 5.407,1316 6.87,1318 8.412,1320 9.992,1328 7.692,1330 5.835,1332 0.739,1333 2.556,1340 34.101,1341 74.799,1342 164.577,1343 223.936,1344 262.465,1345 273.975,1346 275.975,1347 35.722,1348 7.482,1349 38.25,1350 38.25,1351 24,1352 12.167,1353 4.248,1354 3.322,1355 42.999,1356 146,1357 122,1358 0.14,1359 209.446,1360 359.65,1361 502.807,1362 21409,1364 19.02,1365 0.679,1366 0.579,1367 19.02,1368 16.205,1369 13.865,1370 0.447,1371 0.327,1372 10.056,1373 13.498,1374 9.845,1375 8.17,1376 13.865,1377 10.149,1378 11.736,1379 0.293,1380 0.187,1381 11.736,1382 7.465,1383 9.79,1384 0.196,1385 0.109,1386 9.79,1387 5.442,1388 7.899,1389 0.129,1390 0.062,1391 7.899,1392 3.765,1393 6.518,1394 0.086,1395 0.036,1396 6.518,1397 2.713,1398 0.234,1399 85.621,1400 0.214,1401 27.989,1402 0.349,1403 142,1404 342.671,1405 151.177,1406 337.4,1407 471.22,1408 320,1409 161,1410 352.029,1411 170.955,1412 358.237,1413 515.92,1414 338,1415 6.149}
{0 CHEMBL1202884,1 1.292,2 14.767,3 5.466,4 29.879,5 126.359,6 6.838,7 0.647,8 4.143,9 4.275,10 3.661,11 3.744,12 5.124,13 3.694,14 4.701,15 4.886,16 3.989,17 4.162,18 5.588,19 4.08,20 5.016,21 5.256,22 4.033,23 4.319,24 5.809,25 4.191,26 5.081,27 5.36,28 3.891,29 4.249,30 5.817,31 4.09,32 4.992,33 5.286,34 3.774,35 4.121,36 5.73,37 3.967,38 4.837,39 5.113,40 3.627,41 4.021,42 5.574,43 3.861,44 4.756,45 5.033,46 3.525,47 3.938,48 5.467,49 3.768,50 4.668,51 4.949,52 3.445,53 3.841,54 5.395,55 3.678,56 0.086,57 0.847,58 12.912,59 5.457,60 10.672,61 7.67,62 0.176,63 1.427,64 23.626,65 9.271,66 18.136,67 13.308,68 0.24,69 1.846,70 33.601,71 13.032,72 26.782,73 18.946,74 0.252,75 1.899,76 36.872,77 13.704,78 30.327,79 20.263,80 0.289,81 1.74,82 34.289,83 11.841,84 32.468,85 17.779,86 0.256,87 1.497,88 28.91,89 10.496,90 25.921,91 15.508,92 0.179,93 1.358,94 26.507,95 10.097,96 21.455,97 14.837,98 0.218,99 1.257,100 24.455,101 8.893,102 22.523,103 13.143,105 46,106 0.209,107 0.498,108 0.656,109 0.776,110 0.841,111 0.852,112 3.44,113 0.971,114 -6.02,115 -5.87,116 -5.46,121 44.8,123 3,124 1,127 4,144 12,145 4,148 1,149 1,168 1,176 19,180 6,183 1,185 2,187 21,192 9,195 1,197 2,200 14,206 10,211 3,214 10,219 7,224 2,227 11,232 4,235 1,237 2,239 12,244 2,249 2,251 11,255 1,256 1,261 2,264 9,268 1,269 1,274 2,277 9,281 1484,282 21.085,283 21.085,284 21.085,285 21.085,286 21.085,287 18.542,288 18.133,289 12.769,290 21.33,291 16.858,292 16.858,293 16.858,294 16.858,295 16.858,296 13.13,297 25.729,298 6.138,299 17.243,300 4.566,301 2.774,302 1.8,303 1.054,304 0.655,305 0.586,306 4.16,311 1,312 1,313 1001,314 2.828,318 423.866,322 245.615,325 2.316,326 12.165,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 62,338 443,339 4.654,340 3.163,341 6.705,342 4.146,343 3.158,344 4.725,345 0.916,346 10.892,347 3.123,348 4.017,349 3.018,350 5.776,351 3.69,352 2.727,353 3.72,354 0.4,355 7.939,356 2.634,357 3.941,358 2.671,359 5.617,360 3.55,361 2.578,362 3.457,363 0.172,364 7.788,365 2.511,366 3.612,367 2.555,368 5.336,369 3.465,370 2.468,371 2.91,373 6.955,374 2.461,375 3.517,376 2.275,377 5.229,378 3.111,379 2.153,380 2.696,382 6.471,383 2.053,384 3.3,385 2.176,386 4.953,387 3.012,388 2.057,389 2.634,391 5.862,392 1.955,393 3.175,394 1.802,395 4.745,396 2.791,397 1.801,398 2.242,400 5.03,401 1.782,402 2.937,403 1.524,404 3.883,405 2.436,406 1.439,407 2.155,409 3.187,410 1.435,411 2.826,412 1.44,413 3.61,414 2.421,415 1.426,416 1.929,418 3.05,419 1.418,420 2.608,421 1.326,422 3.597,423 2.173,424 1.208,425 1.658,427 2.796,428 1.163,429 2.5,430 1.077,431 3.454,432 2.018,433 1.042,434 1.5,436 2.47,437 1.015,438 2.222,439 1.073,440 3.414,441 2,442 1,443 1.194,445 2.275,446 1,447 2.177,448 1,449 3.247,450 1.984,451 1,452 1.032,454 2.136,455 0.983,456 2,457 0.691,458 3.209,459 1.687,460 0.691,461 1,463 1.608,464 0.688,465 1.407,466 0.429,467 2.912,468 1.232,469 0.266,470 0.289,472 0.654,473 0.256,474 14.6,475 0.487,476 0.496,477 0.017,478 39.25,479 1.308,480 20.5,481 0.683,482 18.75,483 0.625,484 24.932,485 0.831,486 31,487 0.534,488 25.707,489 0.857,490 7.45,491 0.248,492 7.398,493 0.247,496 0.267,501 0.811,502 1.148,503 0.86,504 1.011,505 0.722,506 0.952,507 1.153,508 1.106,509 1.024,510 1.034,511 0.79,512 1.022,513 1.002,514 1.085,515 1.015,516 1.052,517 0.812,518 1.038,519 1.054,520 1.09,521 0.981,522 1.017,523 0.894,524 0.998,525 1.406,526 0.915,527 0.968,528 0.841,529 1.167,530 0.865,531 1.287,532 0.92,533 1.085,534 0.957,535 1.268,536 0.996,537 1.017,538 1.044,539 1.031,540 1.04,541 1.148,542 1.037,543 1.235,544 0.906,545 1.058,546 0.943,547 1.318,548 0.978,549 4.5,550 0.12,551 2.444,552 1.25,553 1.333,554 0.458,555 0.46,556 0.226,557 0.184,558 0.099,559 15624,560 31322,561 2.228,562 48.3,563 1,564 20,567 1,569 6,572 1.718,573 2.195,574 3.824,575 -0.448,582 74.946,583 1.292,584 3.084,585 4.058,586 4.804,587 5.203,588 5.272,589 3.273,590 4.348,591 4.879,592 4.004,593 1741.73,594 8.451,595 26172.9,600 339.763,601 0.837,602 4.881,603 0.132,604 0.005,605 0.053,606 0.027,607 0.035,608 0.013,609 0.016,610 0.009,611 0.008,612 0.004,613 0.303,614 0.33,615 0.75,617 159.335,618 0.175,619 -0.009,620 0.076,621 0.012,622 0.187,623 0.032,624 -0.027,625 -0.009,626 -0.061,627 -0.044,628 0.083,629 -0.053,630 0.019,631 -0.074,632 -0.038,633 -0.068,634 0.104,635 -0.06,636 0.008,637 -0.123,638 0.015,639 -0.051,640 0.105,641 -0.023,642 -0.102,643 0.073,644 0.051,645 0.097,646 -0.026,647 0.088,648 -0.097,649 0.074,650 -0.082,651 -0.003,652 -0.189,653 -0.034,654 -0.04,655 -0.086,656 -0.042,657 -0.064,658 -0.139,659 -0.055,660 -0.059,661 0.08,662 -0.054,663 0.012,664 -0.199,665 -0.015,666 0.792,667 1.505,668 0.867,669 35.529,670 0.983,671 1.12,672 4.789,673 22.934,674 0.675,675 3.555,676 3.85,677 4.127,678 4.394,679 4.663,680 4.673,681 4.82,682 4.949,683 5.05,684 5.024,685 8.494,686 0.628,687 396.58,688 3.555,689 5.081,690 5.927,691 6.79,692 7.649,693 8.519,694 9.384,695 10.257,696 11.128,697 12.004,698 6.9,701 1,703 1,708 2,714 4,715 12,716 2,720 2,722 22,734 1,741 58,743 22,744 3,745 34,747 62,748 26,749 18,750 5,751 11,756 5,757 8,767 2,768 1,770 3,772 18,773 8,774 1,793 28,794 4,795 1,796 4,802 4,808 0.6,821 1,829 5,833 2,855 1,859 3,868 30,876 7,877 1,880 1,881 1,901 13.667,902 10.183,903 6.583,904 3.746,907 4.313,908 1.524,909 1.027,910 5.696,911 12.547,912 3.829,913 4.431,914 5.055,915 5.69,916 6.326,917 6.646,918 7.134,919 7.593,920 8.013,921 8.11,922 0.9,923 46,924 11.103,926 4.702,927 0.026,929 7.378,931 22.209,933 18.902,936 1.878,937 56.333,941 317.82,942 145.118,943 54.461,948 145.118,949 317.82,950 54.461,952 16.026,953 113.715,954 51.337,955 16.173,956 2.328,957 317.82,959 317.82,960 199.579,964 247.193,965 70.627,968 21.295,969 126.947,970 51.337,972 317.82,973 54.461,974 145.118,977 317.82,978 31.403,979 116.839,980 18.011,981 33.326,982 317.82,983 54.461,984 145.118,986 0.571,987 0.331,988 0.185,989 0.105,990 23,991 8,992 0.097,993 6,994 2,995 1.154,996 4.488,997 260.535,998 0.154,999 26,1000 139.207,1005 19.176,1006 8.912,1007 4.535,1008 4.486,1009 54.461,1010 25.57,1011 8.935,1015 2.291,1017 18.011,1018 517.399,1019 45,1031 57.01,1032 64.976,1034 0.221,1035 0.526,1036 0.693,1037 0.82,1038 0.888,1039 0.9,1040 5.04,1041 1.439,1042 5.872,1043 5.03,1044 4.533,1045 5.118,1046 1.038,1047 6.635,1048 4.49,1049 6.217,1050 1.426,1051 7.388,1052 3.187,1053 3.892,1054 4.796,1055 0.325,1056 7.413,1057 3.821,1058 7.502,1059 1.208,1060 9.004,1061 3.05,1062 6.071,1063 7.353,1064 0.697,1065 10.525,1066 5.988,1067 8.826,1068 1.042,1069 10.684,1070 2.796,1071 6.293,1072 7.967,1073 0.393,1074 12.2,1075 6.19,1076 10.187,1077 1,1078 12.406,1079 2.47,1080 7.877,1081 9.943,1082 0.537,1083 14.813,1084 7.762,1085 11.576,1086 1,1087 14.159,1088 2.275,1089 8.536,1090 11.036,1091 0.384,1092 16.884,1093 8.408,1094 12.989,1095 0.691,1096 15.936,1097 2.136,1098 9.854,1099 12.759,1100 0.438,1101 19.339,1102 9.713,1103 3.158,1104 0.266,1105 17.732,1106 1.608,1107 10.743,1108 14.094,1109 0.351,1110 21.588,1111 10.594,1112 2.727,1113 10.892,1114 19.543,1115 0.654,1116 11.942,1117 15.709,1118 0.366,1119 23.994,1120 11.782,1121 2.578,1122 7.939,1123 21.368,1124 4.725,1125 12.952,1126 17.161,1127 0.312,1128 26.321,1129 12.784,1130 2.468,1131 7.788,1132 23.204,1133 3.72,1134 14.103,1135 18.732,1136 0.309,1137 28.712,1138 13.926,1139 2.153,1140 6.955,1141 25.05,1142 3.457,1143 15.174,1144 20.238,1145 0.273,1146 31.072,1147 14.99,1148 2.057,1149 6.471,1150 26.905,1151 2.91,1152 16.31,1153 21.794,1154 0.262,1155 33.46,1156 16.117,1157 1.801,1158 5.862,1159 28.767,1160 2.696,1161 17.414,1162 23.324,1163 0.236,1164 35.836,1165 17.213,1166 14105,1167 20135,1168 24.038,1169 39.16,1170 50.079,1171 50.152,1172 50.195,1173 50.054,1174 50.027,1175 66.28,1176 2.978,1177 138.225,1178 48.954,1179 5.654,1180 5.163,1181 6.507,1182 5.19,1183 5.158,1184 7.725,1185 1.605,1186 18.115,1187 5.123,1189 1.473,1190 1.475,1191 1.476,1192 1.472,1193 1.471,1194 1.949,1195 0.088,1196 4.065,1197 1.44,1198 4.159,1199 4.184,1200 4.127,1201 4.104,1202 5.122,1203 4.106,1204 3.957,1205 4.005,1206 3.867,1207 3.87,1208 4.756,1209 3.864,1210 3.831,1211 3.878,1212 3.721,1213 3.728,1214 4.721,1215 3.718,1216 3.712,1217 3.761,1218 3.646,1219 3.601,1220 4.336,1221 3.606,1222 3.469,1223 3.543,1224 3.331,1225 3.293,1226 4.249,1227 3.293,1228 3.267,1229 3.331,1230 3.162,1231 3.126,1232 4.132,1233 3.127,1234 3.141,1235 3.217,1236 3.006,1237 2.992,1238 3.823,1239 2.983,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.726,1245 2.91,1246 0.137,1247 0.093,1248 0.197,1249 0.122,1250 0.093,1251 4.654,1252 0.139,1253 3.163,1254 0.027,1255 6.705,1256 0.32,1257 4.146,1258 0.092,1259 3.158,1260 4.725,1261 0.916,1262 10.892,1263 3.123,1264 2.126,1265 2.107,1266 2.189,1267 2.196,1268 1.481,1269 2.194,1270 1.934,1271 1.896,1272 2.1,1273 2.067,1274 1.335,1275 2.082,1276 1.84,1277 1.79,1278 2.014,1279 1.956,1280 1.164,1281 1.978,1282 1.683,1283 1.644,1284 1.814,1285 1.834,1286 1.006,1287 1.832,1288 1.455,1289 1.382,1290 1.701,1291 1.655,1292 0.843,1293 1.675,1294 1.249,1295 1.191,1296 1.513,1297 1.435,1298 0.825,1299 1.451,1300 1.153,1301 1.074,1302 1.47,1303 1.376,1304 0.68,1305 1.429,1306 1.142,1307 1.064,1308 1.39,1309 1.338,1310 0.469,1311 1.36,1312 4.234,1314 5.533,1316 7.041,1318 8.644,1320 10.297,1328 8.18,1329 3.496,1332 0.793,1333 2.582,1340 36.407,1341 74.946,1342 178.856,1343 235.359,1344 278.643,1345 301.763,1346 305.763,1347 36.119,1348 8.234,1349 41.05,1350 41.05,1351 30,1352 12.544,1353 4.524,1354 3.585,1355 42.148,1356 157,1357 142,1358 0.129,1359 221.108,1360 370.56,1361 531.262,1362 53975,1364 20.175,1365 0.673,1366 0.577,1367 20.175,1368 17.297,1369 14.848,1370 0.437,1371 0.324,1372 10.924,1373 14.545,1374 10.691,1375 8.856,1376 14.848,1377 11.004,1378 12.946,1379 0.281,1380 0.182,1381 12.946,1382 8.375,1383 11.158,1384 0.183,1385 0.103,1386 11.158,1387 6.297,1388 9.474,1389 0.118,1390 0.057,1391 9.474,1392 4.546,1393 8.123,1394 0.077,1395 0.032,1396 8.123,1397 3.366,1398 0.213,1399 91.066,1400 0.204,1401 29.35,1402 0.325,1403 160,1404 345.268,1405 167.299,1406 349.943,1407 499.16,1408 332,1409 187,1410 383.265,1411 195.437,1412 394.161,1413 573.57,1414 373,1415 6.721}
{0 CHEMBL1202885,1 1.283,2 14.767,3 5.769,4 33.277,5 126.875,6 6.643,7 0.529,8 4.172,9 4.308,10 3.665,11 3.762,12 5.116,13 3.707,14 4.75,15 4.943,16 3.995,17 4.19,18 5.596,19 4.1,20 5.07,21 5.315,22 4.042,23 4.355,24 5.823,25 4.218,26 5.138,27 5.419,28 3.905,29 4.294,30 5.84,31 4.126,32 5.062,33 5.361,34 3.789,35 4.166,36 5.774,37 4.003,38 4.895,39 5.179,40 3.637,41 4.053,42 5.609,43 3.886,44 4.802,45 5.086,46 3.531,47 3.964,48 5.482,49 3.787,50 4.718,51 5.006,52 3.452,53 3.869,54 5.409,55 3.698,56 0.092,57 0.883,58 13.852,59 5.782,60 10.732,61 8.222,62 0.186,63 1.494,64 25.496,65 9.926,66 18.354,67 14.433,68 0.252,69 1.925,70 35.803,71 13.809,72 26.048,73 20.275,74 0.268,75 1.981,76 38.976,77 14.334,78 28.81,79 21.432,80 0.317,81 1.827,82 36.671,83 12.348,84 32.627,85 18.88,86 0.276,87 1.558,88 30.742,89 10.912,90 26.595,91 16.375,92 0.186,93 1.394,94 27.735,95 10.481,96 20.885,97 15.557,98 0.225,99 1.291,100 25.684,101 9.293,102 21.959,103 13.888,105 46,106 0.207,107 0.509,108 0.687,109 0.786,110 0.845,111 0.852,112 3.44,113 0.997,114 -6.36,115 -6.19,116 -5.75,121 43.3,123 5,124 1,127 4,144 10,145 4,148 1,149 1,168 1,176 19,180 6,183 1,185 2,187 21,192 9,195 1,197 2,200 14,206 10,211 3,214 10,219 7,224 2,227 11,232 4,235 1,237 2,239 12,244 2,249 2,251 11,255 1,256 1,261 2,264 9,268 1,269 1,274 2,277 9,281 1484,282 21.085,283 21.085,284 21.085,285 21.085,286 21.085,287 18.921,288 23.841,289 12.769,290 21.33,291 16.858,292 16.858,293 16.858,294 16.858,295 16.858,296 13.654,297 30.587,298 6.138,299 17.243,300 4.624,301 2.757,302 1.656,303 1.044,304 0.679,305 0.633,306 4.16,312 1,313 1001,314 2.828,318 423.866,322 245.615,325 2.316,326 12.486,329 0.75,330 0.83,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.78,337 62,338 443,339 4.503,340 3.267,341 6.705,342 4.146,343 3.158,344 4.187,345 0.916,346 10.892,347 3.123,348 3.964,349 3.018,350 5.776,351 3.69,352 2.727,353 3.543,354 0.4,355 7.939,356 2.634,357 3.941,358 2.727,359 5.617,360 3.55,361 2.578,362 3.457,363 0.172,364 7.788,365 2.511,366 3.608,367 2.564,368 5.336,369 3.465,370 2.468,371 2.787,373 6.955,374 2.461,375 3.466,376 2.358,377 5.229,378 3.111,379 2.153,380 2.633,382 6.471,383 2.053,384 3.174,385 2.208,386 4.953,387 3.012,388 2.057,389 2.242,391 5.862,392 1.955,393 3.061,394 2.004,395 4.745,396 2.791,397 1.801,398 2.216,400 5.03,401 1.782,402 2.889,403 1.524,404 3.883,405 2.436,406 1.439,407 2.059,409 3.187,410 1.435,411 2.826,412 1.496,413 3.61,414 2.421,415 1.426,416 1.928,418 3.05,419 1.418,420 2.602,421 1.337,422 3.597,423 2.173,424 1.208,425 1.648,427 2.796,428 1.163,429 2.5,430 1.077,431 3.454,432 2.018,433 1.042,434 1.5,436 2.47,437 1.015,438 2.211,439 1.075,440 3.414,441 2,442 1,443 1.191,445 2.275,446 1,447 2,448 1,449 3.247,450 1.984,451 1,452 1,454 2.136,455 0.983,456 1.954,457 0.737,458 3.209,459 1.687,460 0.691,461 0.849,463 1.608,464 0.688,465 1.381,466 0.43,467 2.912,468 1.232,469 0.266,470 0.287,472 0.654,473 0.256,474 14.6,475 0.487,476 0.496,477 0.017,478 37.25,479 1.242,480 18.5,481 0.617,482 18.75,483 0.625,484 26.942,485 0.898,486 31.6,487 0.527,488 23.698,489 0.79,490 6.891,491 0.23,492 7.958,493 0.265,496 0.267,501 0.816,502 1.182,503 0.891,504 1.048,505 0.701,506 0.988,507 1.131,508 1.124,509 1.035,510 1.056,511 0.788,512 1.041,513 0.982,514 1.104,515 1.027,516 1.074,517 0.856,518 1.058,519 1.076,520 1.115,521 1.014,522 1.048,523 0.997,524 1.03,525 1.488,526 0.914,527 0.996,528 0.844,529 1.292,530 0.876,531 1.352,532 0.908,533 1.086,534 0.939,535 1.31,536 0.983,537 0.993,538 1.036,539 1.011,540 1.027,541 1.102,542 1.022,543 1.199,544 0.901,545 1.035,546 0.933,547 1.267,548 0.964,549 4.5,550 0.12,551 2.444,552 1.25,553 1.333,554 0.458,555 0.46,556 0.226,557 0.184,558 0.099,559 15624,560 30093,561 2.228,562 50,563 5,564 18,567 1,569 6,572 1.718,573 2.195,574 3.824,575 -0.448,582 76.995,583 1.283,584 3.15,585 4.251,586 4.863,587 5.228,588 5.274,589 3.273,590 4.348,591 4.879,592 4.004,593 1741.73,594 8.451,595 26172.9,600 354.413,601 0.837,602 4.881,603 0.132,604 0.005,605 0.053,606 0.027,607 0.035,608 0.013,609 0.016,610 0.009,611 0.008,612 0.004,613 0.303,614 0.33,615 0.75,617 159.335,618 0.18,619 -0.012,620 0.079,621 0.012,622 0.224,623 0.033,624 -0.013,625 -0.015,626 -0.052,627 -0.043,628 0.091,629 -0.049,630 0.023,631 -0.088,632 -0.046,633 -0.082,634 0.055,635 -0.071,636 -0.01,637 -0.143,638 -0.023,639 -0.084,640 0.013,641 -0.059,642 -0.131,643 0.075,644 0.019,645 0.081,646 -0.093,647 0.065,648 -0.113,649 0.088,650 -0.083,651 0.007,652 -0.184,653 -0.028,654 -0.028,655 -0.081,656 -0.027,657 -0.053,658 -0.098,659 -0.042,660 -0.041,661 0.077,662 -0.036,663 0.02,664 -0.154,665 -0.003,666 0.741,667 1.557,668 0.867,669 35.529,670 0.982,671 1.123,672 5.131,673 26.326,674 0.665,675 3.555,676 3.85,677 4.127,678 4.394,679 4.663,680 4.673,681 4.82,682 4.949,683 5.05,684 5.024,685 8.494,686 0.616,687 398.6,688 3.555,689 5.081,690 5.927,691 6.79,692 7.649,693 8.519,694 9.384,695 10.257,696 11.128,697 12.004,698 6.7,701 1,703 1,708 2,715 10,716 2,720 6,722 18,734 1,741 60,743 18,744 2,745 34,747 64,748 26,749 16,750 3,751 9,756 5,757 8,767 4,768 1,770 5,772 16,773 10,774 1,793 30,794 4,795 1,796 4,802 4,808 0.6,821 1,829 5,833 2,855 1,859 3,868 30,876 9,877 1,880 1,881 1,901 13.667,902 10.517,903 6.583,904 3.968,907 3.245,908 1.394,909 1.017,910 5.876,911 11.479,912 3.784,913 4.324,914 4.866,915 5.411,916 5.955,917 6.082,918 6.471,919 6.832,920 7.147,921 7.301,922 0.9,923 46,924 11.13,926 4.716,927 0.026,929 7.344,931 22.427,933 19.238,936 1.844,937 55.333,941 341.362,942 133.685,943 54.461,948 133.685,949 341.362,950 54.461,952 21.095,953 94.762,954 51.337,955 18.623,956 2.328,957 341.362,959 341.362,960 188.146,964 270.735,965 70.627,968 26.977,969 109.833,970 51.337,972 341.362,973 54.461,974 133.685,977 341.362,978 38.922,979 97.887,980 18.011,981 33.326,982 341.362,983 54.461,984 133.685,986 0.571,987 0.331,988 0.185,989 0.105,990 23,991 8,992 0.094,993 6,994 2,995 1.154,996 4.488,997 260.535,998 0.154,999 26,1000 139.207,1005 19.42,1006 9.077,1007 4.637,1009 54.461,1010 21.604,1011 9.02,1015 7.369,1017 18.011,1018 529.508,1019 43,1031 58.894,1032 67.391,1034 0.217,1035 0.533,1036 0.72,1037 0.823,1038 0.885,1039 0.893,1040 5.007,1041 1.439,1042 5.872,1043 5.03,1044 4.533,1045 5.011,1046 1.038,1047 6.635,1048 4.49,1049 6.161,1050 1.426,1051 7.388,1052 3.187,1053 3.892,1054 4.543,1055 0.325,1056 7.413,1057 3.821,1058 7.43,1059 1.208,1060 9.004,1061 3.05,1062 6.071,1063 7.095,1064 0.697,1065 10.525,1066 5.988,1067 8.732,1068 1.042,1069 10.684,1070 2.796,1071 6.293,1072 7.494,1073 0.393,1074 12.2,1075 6.19,1076 10.071,1077 1,1078 12.406,1079 2.47,1080 7.877,1081 9.482,1082 0.537,1083 14.813,1084 7.762,1085 11.434,1086 1,1087 14.159,1088 2.275,1089 8.536,1090 10.328,1091 0.384,1092 16.884,1093 8.408,1094 12.819,1095 0.691,1096 15.936,1097 2.136,1098 9.854,1099 12.045,1100 0.438,1101 19.339,1102 9.713,1103 3.158,1104 0.266,1105 17.732,1106 1.608,1107 10.743,1108 13.14,1109 0.351,1110 21.588,1111 10.594,1112 2.727,1113 10.892,1114 19.543,1115 0.654,1116 11.942,1117 14.715,1118 0.366,1119 23.994,1120 11.782,1121 2.578,1122 7.939,1123 21.368,1124 4.187,1125 12.952,1126 15.951,1127 0.312,1128 26.321,1129 12.784,1130 2.468,1131 7.788,1132 23.204,1133 3.543,1134 14.103,1135 17.451,1136 0.309,1137 28.712,1138 13.926,1139 2.153,1140 6.955,1141 25.05,1142 3.457,1143 15.174,1144 18.769,1145 0.273,1146 31.072,1147 14.99,1148 2.057,1149 6.471,1150 26.905,1151 2.787,1152 16.31,1153 20.231,1154 0.262,1155 33.46,1156 16.117,1157 1.801,1158 5.862,1159 28.767,1160 2.633,1161 17.414,1162 21.595,1163 0.236,1164 35.836,1165 17.213,1166 14105,1167 19716,1168 24.038,1169 39.921,1170 50.218,1171 50.08,1172 50.195,1173 50.054,1174 50.027,1175 63.055,1176 2.978,1177 138.225,1178 48.954,1179 5.503,1180 5.267,1181 6.507,1182 5.19,1183 5.158,1184 7.187,1185 1.605,1186 18.115,1187 5.123,1189 1.477,1190 1.473,1191 1.476,1192 1.472,1193 1.471,1194 1.855,1195 0.088,1196 4.065,1197 1.44,1198 4.061,1199 4.097,1200 4.012,1201 3.99,1202 5.044,1203 3.99,1204 3.951,1205 3.998,1206 3.865,1207 3.867,1208 4.756,1209 3.861,1210 3.83,1211 3.877,1212 3.72,1213 3.727,1214 4.678,1215 3.718,1216 3.712,1217 3.763,1218 3.646,1219 3.595,1220 4.335,1221 3.602,1222 3.467,1223 3.543,1224 3.321,1225 3.29,1226 4.128,1227 3.287,1228 3.303,1229 3.38,1230 3.156,1231 3.141,1232 4.018,1233 3.135,1234 3.146,1235 3.228,1236 2.991,1237 2.986,1238 3.813,1239 2.975,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.678,1245 2.91,1246 0.132,1247 0.096,1248 0.197,1249 0.122,1250 0.093,1251 4.503,1252 0.123,1253 3.267,1254 0.027,1255 6.705,1256 0.32,1257 4.146,1258 0.092,1259 3.158,1260 4.187,1261 0.916,1262 10.892,1263 3.123,1264 2.023,1265 1.997,1266 2.121,1267 2.114,1268 1.481,1269 2.116,1270 1.934,1271 1.896,1272 2.098,1273 2.065,1274 1.354,1275 2.08,1276 1.84,1277 1.79,1278 2.014,1279 1.956,1280 1.164,1281 1.978,1282 1.682,1283 1.64,1284 1.818,1285 1.836,1286 1.007,1287 1.833,1288 1.457,1289 1.382,1290 1.715,1291 1.66,1292 0.905,1293 1.683,1294 1.295,1295 1.226,1296 1.533,1297 1.503,1298 0.825,1299 1.522,1300 1.153,1301 1.076,1302 1.513,1303 1.376,1304 0.713,1305 1.429,1306 1.149,1307 1.064,1308 1.434,1309 1.362,1310 0.645,1311 1.39,1312 4.234,1314 5.533,1316 7.041,1318 8.644,1320 10.297,1328 10.414,1329 3.53,1332 0.807,1333 2.589,1340 36.934,1341 76.995,1342 189,1343 255.055,1344 291.784,1345 313.659,1346 316.413,1347 37.088,1348 8.234,1349 41.05,1350 41.05,1351 30,1352 12.544,1353 4.248,1354 3.322,1355 42.148,1356 157,1357 142,1358 0.129,1359 224.035,1360 384.1,1361 538.405,1362 53975,1364 20.175,1365 0.673,1366 0.585,1367 20.175,1368 17.556,1369 14.848,1370 0.437,1371 0.332,1372 11.22,1373 14.545,1374 10.98,1375 9.074,1376 14.848,1377 11.3,1378 12.946,1379 0.281,1380 0.189,1381 12.946,1382 8.681,1383 11.158,1384 0.183,1385 0.109,1386 11.158,1387 6.624,1388 9.474,1389 0.118,1390 0.061,1391 9.474,1392 4.852,1393 8.123,1394 0.077,1395 0.035,1396 8.123,1397 3.641,1398 0.213,1399 91.066,1400 0.204,1401 29.35,1402 0.325,1403 160,1404 335.268,1405 167.299,1406 338.934,1407 483.32,1408 322,1409 187,1410 370.265,1411 195.437,1412 380.135,1413 553.33,1414 360,1415 6.721}
{0 CHEMBL1203534,1 1.519,2 12.692,3 1.623,4 2.635,5 102.108,6 7.05,7 0.179,8 3.998,9 4.137,10 3.518,11 3.474,12 5.075,13 3.457,14 4.566,15 4.777,16 3.807,17 3.85,18 5.485,19 3.802,20 4.816,21 5.066,22 3.771,23 3.965,24 5.72,25 3.857,26 4.835,27 5.105,28 3.752,29 3.959,30 5.797,31 3.83,32 4.791,33 5.057,34 3.657,35 3.877,36 5.721,37 3.759,38 4.68,39 4.948,40 3.467,41 3.753,42 5.684,43 3.625,44 4.475,45 4.74,46 3.354,47 3.608,48 5.389,49 3.475,50 4.423,51 4.697,52 3.33,53 3.521,54 5.297,55 3.409,56 0.027,57 0.773,58 11.028,59 4.054,60 12.385,61 5.95,62 0.211,63 1.197,64 21.265,65 6.473,66 16.918,67 9.963,68 0.438,69 1.362,70 28.719,71 8.841,72 39.232,73 13.542,74 0.323,75 1.366,76 29.184,77 9.833,78 55.181,79 14.863,80 0.337,81 1.255,82 28.421,83 8.731,84 44.955,85 13.314,86 0.427,87 1.126,88 25.598,89 7.202,90 62.474,91 11.279,92 0.215,93 0.951,94 20.256,95 6.641,96 35.444,97 10.131,98 0.255,99 0.865,100 19.649,101 5.958,102 29.335,103 9.245,104 10,105 36,106 0.257,107 0.577,108 0.735,109 0.852,110 0.872,111 0.879,112 3.303,113 0.963,114 -1.01,115 -1.11,116 -1.21,121 38,123 1,127 8,137 2,138 1,141 1,144 2,154 2,160 2,176 3,180 7,183 1,185 1,187 1,191 1,192 2,195 2,197 1,205 3,206 1,209 2,211 1,219 2,223 1,224 1,227 2,231 1,232 2,235 1,239 3,244 1,247 2,251 1,256 1,259 1,261 3,264 1,268 1,274 2,277 1,281 1026,282 18.154,283 18.154,284 18.154,285 18.154,286 18.154,287 16.832,288 28.154,289 11.092,290 18.516,291 13.736,292 13.736,293 13.736,294 13.736,295 13.736,296 11.544,297 37.525,298 5.115,299 14.331,300 4.125,301 2.228,302 1.295,303 0.6,304 0.48,305 0.44,306 3.988,310 1,311 1,312 1,313 700,314 3.536,317 165.597,318 96.801,325 2.047,326 21.608,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 56,338 330,339 4.392,340 4.259,341 6.5,342 3.96,343 3.018,344 3.798,345 2.689,346 10.151,347 2.846,348 4.129,349 3.869,350 5.719,351 3.771,352 2.788,353 3.736,354 1.539,355 8.109,356 2.748,357 3.588,358 3.209,359 5.327,360 3.406,361 2.46,362 2.673,363 0.995,364 6.946,365 2.32,366 3.577,367 3.079,368 5.201,369 3.122,370 2.166,371 2.464,372 0.886,373 6.152,374 2.064,375 3.303,376 2.787,377 4.774,378 2.91,379 1.929,380 2.342,381 0.657,382 5.347,383 1.892,384 3.202,385 2.318,386 3.999,387 2.487,388 1.537,389 1.788,390 0.4,391 3.407,392 1.456,393 2.842,394 2.249,395 3.602,396 2.361,397 1.389,398 1.603,399 0.359,400 3.027,401 1.346,402 2.788,403 1.824,404 3.518,405 2.025,406 1.105,407 1.303,409 2.567,410 1.015,411 2.463,412 1.714,413 3.394,414 1.984,415 1,416 1.197,418 2.136,419 0.983,420 2.226,421 1.453,422 3.272,423 1.878,424 0.928,425 1.096,427 2.131,428 0.879,429 2.102,430 1.393,431 3.247,432 1.731,433 0.738,434 1.037,436 1.752,437 0.733,438 2.05,439 1.069,440 2.879,441 1.547,442 0.618,443 1.024,445 0.791,446 0.572,447 1.526,448 0.838,449 2.659,450 1.271,451 0.321,452 0.341,454 0.743,455 0.304,456 1.386,457 0.523,458 2.618,459 0.858,460 -0.104,461 -0.116,463 -0.262,464 -0.1,465 1.048,466 0.198,467 2.311,468 0.664,469 -0.265,470 -0.444,472 -0.38,473 -0.245,474 12.233,475 0.471,476 0.376,477 0.014,478 29.5,479 1.135,480 12,481 0.462,482 17.5,483 0.673,484 21.968,485 0.845,486 28.567,487 0.571,488 20.38,489 0.784,490 5.949,491 0.229,492 6.847,493 0.263,494 0.065,496 0.229,501 0.953,502 1.561,503 0.847,504 1.243,505 0.439,506 1.059,507 1.238,508 1.133,509 1.028,510 1.032,511 0.46,512 0.993,513 1.167,514 1.011,515 1.069,516 1.003,517 0.525,518 1.031,519 0.645,520 0.983,521 0.884,522 1.084,523 0.431,524 1.033,525 1.266,526 0.992,527 1.007,528 0.991,529 1.048,530 0.981,531 1.426,532 0.85,533 1.217,534 0.933,535 1.766,536 1.032,537 0.836,538 1.022,539 1.012,540 1.118,541 0.865,542 1.096,543 1.07,544 0.906,545 0.913,546 0.899,547 0.791,548 0.89,549 4,550 0.097,551 2,552 1.507,553 0.811,554 0.487,555 0.302,556 0.131,557 0.151,558 0.086,559 9304,560 23839,561 2.082,562 48,564 20,567 2,569 2,572 1.683,573 2,574 3.624,575 0.289,576 1,577 1,582 75.933,583 1.519,584 3.415,585 4.349,586 5.044,587 5.164,588 5.204,589 3.061,590 4.085,591 4.675,592 3.823,593 1242.34,594 8.054,595 16906.4,597 1,599 1,600 282.193,601 1.14,602 4.655,603 0.143,604 0.005,605 0.056,606 0.046,607 0.025,608 0.017,609 0.013,610 0.006,611 0.007,612 0.004,613 0.322,614 0.33,615 1,616 0.931,617 131.733,618 -0.042,619 -0.297,620 0.059,621 -0.126,622 0.121,623 -0.033,624 -0.138,625 0.001,626 -0.061,627 -0.035,628 -0.006,629 -0.029,630 -0.015,631 -0.028,632 -0.079,633 -0.018,634 0.083,635 -0.057,636 0.189,637 -0.039,638 0.083,639 -0.081,640 0.265,641 -0.028,642 -0.094,643 -0.072,644 -0.006,645 -0.012,646 -0.109,647 -0.003,648 -0.179,649 0.111,650 -0.206,651 0.002,652 -0.311,653 -0.09,654 0.039,655 -0.062,656 -0.045,657 -0.12,658 -0.002,659 -0.099,660 0.019,661 0.015,662 0.086,663 0.074,664 -0.035,665 0.09,666 1.522,667 3.012,668 0.615,669 26.42,670 0.998,671 1.139,672 -0.216,673 0.047,674 0.647,675 3.367,676 3.611,677 3.85,678 4.06,679 4.06,680 4.007,681 4.043,682 4.06,683 4.111,684 4.19,685 7.607,686 0.612,687 352.49,688 3.367,689 4.86,690 5.68,691 6.521,692 7.354,693 8.2,694 9.038,695 9.886,696 10.727,697 11.575,698 12,700 2,701 2,707 2,715 2,718 1,720 2,722 5,741 50,743 9,745 28,747 52,748 19,749 4,756 3,757 3,767 1,770 1,771 2,772 8,773 9,777 2,784 2,786 2,789 1,790 1,792 1,793 24,794 7,795 2,796 7,802 6,808 1,809 1,828 2,829 1,838 2,849 2,850 1,853 2,855 2,859 3,868 26,876 9,877 2,881 2,885 2,889 2,891 2,893 2,898 1,901 13,902 8.8,903 6.056,904 3.081,907 1.826,908 1.26,909 0.96,910 6.74,911 8.84,912 3.624,913 4.012,914 4.498,915 4.935,916 4.984,917 5.016,918 5.151,919 5.236,920 5.438,921 5.695,922 1,923 33,924 9.58,926 3.921,927 0.026,929 7.718,931 18.57,933 14.913,936 2.218,937 57.667,941 258.964,942 106.9,943 104.389,945 9.507,948 106.9,949 268.472,950 104.389,952 19.38,953 73.926,954 33.203,955 83.388,956 10.898,957 258.964,959 258.964,960 211.289,961 9.507,964 235.422,965 33.05,968 123.769,969 68.567,970 18.952,972 258.964,973 113.896,974 106.9,977 258.964,978 35.791,979 44.154,980 69.225,981 71.626,982 258.964,983 113.896,984 106.9,986 0.554,987 0.331,988 0.184,989 0.085,990 15,991 6,992 0.135,993 7,995 1,996 4.022,997 197.341,999 16,1000 118.211,1005 18.542,1006 9.451,1007 5.13,1009 113.896,1010 4.07,1013 5.903,1015 1.927,1017 36.022,1018 479.76,1019 36.5,1026 4.426,1028 0.79,1031 49.891,1032 56.936,1034 0.269,1035 0.605,1036 0.771,1037 0.894,1038 0.915,1039 0.922,1040 4.862,1041 1.105,1042 5.609,1043 3.027,1044 4.29,1045 4.696,1046 3.207,1047 6.34,1048 4.207,1049 6.016,1050 1,1051 7.111,1052 2.567,1053 3.611,1054 4.159,1055 0.57,1056 7.096,1057 3.485,1058 7.282,1059 0.928,1060 8.714,1061 2.136,1062 5.796,1063 6.683,1064 4.784,1065 10.173,1066 5.629,1067 8.582,1068 0.738,1069 10.381,1070 2.131,1071 6.043,1072 7.131,1073 0.725,1074 11.837,1075 5.827,1076 9.916,1077 0.618,1078 12.092,1079 1.752,1080 7.582,1081 8.991,1082 6.667,1083 14.386,1084 7.329,1085 11.275,1086 0.321,1087 13.835,1088 0.791,1089 8.26,1090 9.895,1091 0.771,1092 16.419,1093 7.956,1094 12.654,1095 -0.104,1096 15.6,1097 0.743,1098 9.532,1099 11.47,1100 8.62,1101 18.803,1102 9.19,1103 3.018,1104 -0.265,1105 17.382,1106 -0.262,1107 10.419,1108 12.593,1109 0.775,1110 20.992,1111 10.024,1112 2.788,1113 10.151,1114 19.178,1115 -0.38,1116 11.578,1117 14.038,1118 10.59,1119 23.324,1120 11.141,1121 2.46,1122 8.109,1123 20.985,1124 3.798,1125 12.565,1126 15.267,1127 0.764,1128 25.581,1129 12.077,1130 2.166,1131 6.946,1132 22.802,1133 3.736,1134 13.678,1135 16.651,1136 12.566,1137 27.897,1138 13.144,1139 1.929,1140 6.152,1141 24.626,1142 2.673,1143 14.715,1144 17.931,1145 0.746,1146 30.185,1147 14.128,1148 1.537,1149 5.347,1150 26.457,1151 2.464,1152 15.809,1153 19.286,1154 14.544,1155 32.498,1156 15.174,1157 1.389,1158 3.407,1159 28.294,1160 2.342,1161 16.871,1162 20.59,1163 0.728,1164 34.8,1165 16.182,1166 8994,1167 14539,1168 19.068,1169 32.341,1170 42.647,1171 45.058,1172 41.419,1173 40.02,1174 39.995,1175 48.805,1176 15.051,1177 106.521,1178 38.314,1179 5.361,1180 6.04,1181 6.302,1182 5.018,1183 5.018,1184 6.553,1185 5.379,1186 16.833,1187 4.782,1188 9.778,1189 1.523,1190 1.609,1191 1.479,1192 1.429,1193 1.428,1194 1.743,1195 0.538,1196 3.804,1197 1.368,1198 3.982,1199 4.017,1200 3.918,1201 3.821,1202 6.856,1203 3.839,1204 3.881,1205 3.938,1206 3.826,1207 3.712,1208 6.782,1209 3.734,1210 3.79,1211 3.838,1212 3.682,1213 3.656,1214 5.039,1215 3.655,1216 3.522,1217 3.593,1218 3.426,1219 3.344,1220 4.513,1221 3.354,1222 3.4,1223 3.469,1224 3.276,1225 3.208,1226 4.48,1227 3.212,1228 3.178,1229 3.26,1230 3.017,1231 3.007,1232 4.185,1233 2.998,1234 3.04,1235 3.132,1236 2.915,1237 2.877,1238 3.787,1239 2.848,1240 2.976,1241 3.078,1242 2.811,1243 2.751,1244 3.622,1245 2.743,1246 0.157,1247 0.152,1248 0.232,1249 0.141,1250 0.108,1251 4.392,1252 0.136,1253 4.259,1254 0.096,1255 6.5,1256 0.363,1257 3.96,1258 0.102,1259 3.018,1260 3.798,1261 2.689,1262 10.151,1263 2.846,1264 1.826,1265 1.77,1266 2.018,1267 2.003,1268 1.279,1269 2.011,1270 1.705,1271 1.654,1272 1.89,1273 1.916,1274 1.173,1275 1.912,1276 1.601,1277 1.559,1278 1.748,1279 1.776,1280 1.002,1281 1.753,1282 1.524,1283 1.474,1284 1.709,1285 1.723,1286 0.898,1287 1.733,1288 1.472,1289 1.421,1290 1.657,1291 1.657,1292 0.842,1293 1.666,1294 1.308,1295 1.241,1296 1.529,1297 1.522,1298 0.681,1299 1.529,1300 1.081,1301 0.996,1302 1.434,1303 1.299,1304 0.618,1305 1.35,1306 0.996,1307 0.906,1308 1.294,1309 1.264,1310 0.425,1311 1.272,1312 4.043,1314 5.303,1315 3.045,1316 6.744,1317 5.283,1318 8.266,1319 7.261,1320 9.831,1328 7.752,1329 6.479,1333 4.401,1338 18.024,1339 3.894,1340 30.584,1341 75.933,1342 170.77,1343 217.464,1344 252.193,1345 258.193,1346 260.193,1347 42.935,1348 7.014,1349 91.26,1350 91.26,1351 16,1352 12.135,1353 3.322,1354 3.248,1355 44.782,1356 122,1357 102,1358 0.178,1359 192.188,1360 342.95,1361 460.698,1362 11589,1364 18.192,1365 0.7,1366 0.572,1367 18.192,1368 14.87,1369 12.796,1370 0.457,1371 0.321,1372 8.841,1373 12.243,1374 8.685,1375 7.169,1376 12.796,1377 8.988,1378 10.501,1379 0.292,1380 0.178,1381 10.501,1382 6.401,1383 8.851,1384 0.192,1385 0.099,1386 8.851,1387 4.548,1388 7.327,1389 0.129,1390 0.056,1391 7.327,1392 3.216,1393 4.949,1394 0.087,1395 0.034,1396 4.949,1397 1.964,1398 0.292,1399 80.443,1400 0.229,1401 25.982,1402 0.452,1403 128,1404 366.982,1405 141.255,1406 358.946,1407 482.86,1408 336,1409 146,1410 345.836,1411 160.644,1412 349.723,1413 502.09,1414 328,1415 7.022}
{0 CHEMBL1203535,1 1.547,2 13.464,3 1.375,4 1.889,5 107.258,6 6.867,7 0.167,8 4.109,9 4.246,10 3.603,11 3.547,12 5.16,13 3.532,14 4.703,15 4.914,16 3.898,17 3.931,18 5.59,19 3.887,20 4.954,21 5.197,22 3.898,23 4.075,24 5.837,25 3.973,26 5.01,27 5.28,28 3.885,29 4.1,30 5.928,31 3.969,32 5,33 5.276,34 3.771,35 4.028,36 5.868,37 3.9,38 4.862,39 5.133,40 3.614,41 3.905,42 5.821,43 3.766,44 4.698,45 4.972,46 3.534,47 3.758,48 5.579,49 3.63,50 4.587,51 4.847,52 3.473,53 3.673,54 5.458,55 3.565,56 0.02,57 0.836,58 12.936,59 4.598,60 14.078,61 6.872,62 0.295,63 1.281,64 25.348,65 7.294,66 22.813,67 11.399,68 0.576,69 1.487,70 33.438,71 9.859,72 45.433,73 15.335,74 0.39,75 1.542,76 35.065,77 11.276,78 61.147,79 17.363,80 0.482,81 1.433,82 35.539,83 10.228,84 52.702,85 16.118,86 0.565,87 1.27,88 30.89,89 8.713,90 68.345,91 13.929,92 0.291,93 1.078,94 25.878,95 7.996,96 42.874,97 12.374,98 0.335,99 0.976,100 23.268,101 6.87,102 34.185,103 10.665,104 20,105 39,106 0.256,107 0.544,108 0.738,109 0.854,110 0.872,111 0.877,112 3.373,113 0.98,114 -0.58,115 -0.7,116 -0.83,121 35.7,123 2,126 1,127 8,129 1,138 1,141 1,144 2,154 2,160 2,176 2,180 7,183 1,185 1,191 2,192 3,195 2,197 1,205 3,206 1,209 2,211 1,219 1,223 1,224 1,227 1,231 2,232 3,235 1,239 2,244 2,247 2,251 1,256 1,259 1,261 2,264 1,268 1,272 1,274 2,277 1,281 1280,282 19.472,283 19.472,284 19.472,285 19.472,286 19.472,287 18.41,288 30.756,289 11.714,290 20.006,291 14.647,292 14.647,293 14.647,294 14.647,295 14.647,296 12.805,297 41.379,298 5.311,299 15.423,300 4.26,301 2.528,302 1.353,303 0.656,304 0.549,305 0.513,306 4.057,311 1,312 1,313 793,314 3.742,317 179.689,318 104.858,325 2.184,326 24.953,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 61,338 377,339 4.392,340 4.259,341 6.5,342 3.96,343 3.018,344 3.798,345 2.689,346 10.151,347 2.846,348 4.13,349 3.869,350 5.751,351 3.786,352 2.813,353 3.736,354 1.539,355 8.209,356 2.754,357 3.678,358 3.209,359 5.514,360 3.565,361 2.611,362 2.711,363 0.916,364 7.479,365 2.471,366 3.581,367 3.112,368 5.202,369 3.132,370 2.177,371 2.466,372 0.886,373 6.169,374 2.074,375 3.303,376 2.877,377 5.062,378 3.08,379 2.131,380 2.393,381 0.86,382 6.132,383 2.023,384 3.273,385 2.569,386 4.685,387 2.748,388 1.806,389 1.946,390 0.657,391 5.065,392 1.691,393 2.927,394 2.283,395 3.999,396 2.456,397 1.509,398 1.61,399 0.4,400 3.401,401 1.425,402 2.809,403 2.15,404 3.542,405 2.188,406 1.213,407 1.303,408 0.172,409 2.653,410 1.179,411 2.466,412 1.76,413 3.492,414 2.024,415 1.103,416 1.237,418 2.555,419 1.015,420 2.247,421 1.462,422 3.397,423 1.878,424 0.928,425 1.176,427 2.131,428 0.879,429 2.19,430 1.313,431 3.274,432 1.732,433 0.739,434 1.095,436 1.755,437 0.733,438 2.102,439 1.069,440 2.926,441 1.547,442 0.618,443 1.027,445 0.791,446 0.572,447 1.526,448 0.979,449 2.746,450 1.288,451 0.43,452 0.431,454 0.746,455 0.366,456 1.432,457 0.834,458 2.652,459 1.27,460 0.321,461 0.341,463 0.624,464 0.304,465 1.383,466 0.522,467 2.618,468 0.858,469 -0.104,470 -0.113,472 -0.274,473 -0.1,474 13.067,475 0.467,476 0.444,477 0.016,478 30,479 1.071,480 11,481 0.393,482 19,483 0.679,484 26.099,485 0.932,486 31.933,487 0.57,488 21.412,489 0.765,490 5.948,491 0.212,492 7.781,493 0.278,494 0.099,496 0.253,501 0.942,502 1.656,503 0.869,504 1.354,505 0.469,506 1.131,507 1.358,508 1.112,509 1.039,510 0.999,511 0.539,512 0.966,513 1.17,514 1.024,515 1.085,516 1.01,517 0.568,518 1.043,519 0.694,520 1.036,521 0.902,522 1.113,523 0.444,524 1.056,525 1.199,526 0.935,527 1.004,528 0.931,529 0.986,530 0.945,531 1.046,532 0.907,533 1.135,534 0.998,535 1.54,536 1.065,537 0.896,538 0.974,539 0.919,540 1.043,541 0.799,542 0.997,543 1.201,544 0.943,545 1.003,546 0.945,547 0.851,548 0.952,549 5,550 0.114,551 2.222,552 1.819,553 0.962,554 0.661,555 0.328,556 0.203,557 0.207,558 0.106,559 11238,560 28882,561 2.055,562 50,564 22,567 2,569 4,572 1.703,573 1.953,574 3.703,575 0.282,576 1,577 1,582 86.658,583 1.547,584 3.28,585 4.454,586 5.151,587 5.258,588 5.294,589 3.098,590 4.522,591 4.782,592 3.91,593 1477.83,594 8.27,595 21385.6,597 1,600 325.212,601 1.255,602 4.752,603 0.167,604 0.006,605 0.057,606 0.049,607 0.027,608 0.021,609 0.013,610 0.008,611 0.009,612 0.005,613 0.36,614 0.33,615 1,616 1.034,617 145.635,618 -0.038,619 -0.333,620 0.065,621 -0.165,622 0.12,623 -0.049,624 -0.177,625 0.023,626 -0.043,627 0.021,628 -0.018,629 0.018,630 -0.024,631 -0.014,632 -0.091,633 -0.01,634 0.067,635 -0.061,636 0.115,637 -0.068,638 0.056,639 -0.1,640 0.229,641 -0.047,642 -0.115,643 -0.021,644 -0.008,645 0.036,646 -0.103,647 0.028,648 0.002,649 0.058,650 -0.144,651 -0.042,652 -0.217,653 -0.102,654 0.03,655 -0.039,656 0.055,657 -0.049,658 0.031,659 -0.001,660 -0.076,661 0.009,662 -0.008,663 0.045,664 -0.08,665 0.031,666 1.526,667 3.037,668 0.571,669 30.286,670 1,671 1.142,672 -0.654,673 0.428,674 0.631,675 3.434,676 3.689,677 3.932,678 4.143,679 4.159,680 4.143,681 4.174,682 4.19,683 4.277,684 4.344,685 8.067,686 0.596,687 384.54,688 3.434,689 4.934,690 5.759,691 6.605,692 7.442,693 8.293,694 9.134,695 9.986,696 10.829,697 11.682,698 10.7,700 2,701 2,707 2,715 2,718 1,720 2,722 5,741 56,743 8,745 30,747 58,748 20,749 4,756 3,757 3,767 3,770 3,771 2,772 6,773 12,777 1,786 2,790 1,792 1,793 28,794 8,795 2,796 8,802 6,808 1,809 2,828 2,829 1,838 2,850 1,853 2,855 2,858 1,859 3,864 1,868 28,876 10,877 2,878 1,880 1,881 2,885 2,889 2,891 2,893 3.6,897 1,898 1,901 14.333,902 10.133,903 6.556,904 3.442,907 1.581,908 1.219,909 0.941,910 7.763,911 8.797,912 3.651,913 4.03,914 4.509,915 4.935,916 4.971,917 5.029,918 5.145,919 5.201,920 5.391,921 5.624,922 0.889,923 37,924 10.336,926 4.223,927 0.026,929 7.714,931 20.08,933 16.18,936 2.214,937 62,941 306.049,942 101.365,943 104.389,945 20.507,948 101.365,949 326.556,950 104.389,951 10.883,952 21.915,953 54.974,954 44.203,955 83.388,956 10.898,957 306.049,959 306.049,960 205.754,961 20.507,964 258.964,965 56.592,966 11,968 126.304,969 79.45,972 306.049,973 124.896,974 101.365,977 306.049,978 38.326,979 36.084,980 69.225,981 82.626,982 306.049,983 124.896,984 101.365,986 0.556,987 0.336,988 0.185,989 0.086,990 16,991 7,992 0.138,993 8,995 1,996 4.156,997 219.153,999 16,1000 130.606,1005 20.702,1006 10.5,1007 5.737,1009 124.896,1010 4.067,1013 5.955,1015 1.899,1017 36.022,1018 532.31,1019 37.5,1028 0.782,1031 55.985,1032 63.976,1034 0.266,1035 0.565,1036 0.767,1037 0.887,1038 0.905,1039 0.912,1040 4.9,1041 1.213,1042 5.7,1043 3.401,1044 4.369,1045 4.714,1046 3.245,1047 6.444,1048 4.272,1049 6.047,1050 1.103,1051 7.213,1052 2.653,1053 3.761,1054 4.248,1055 0.57,1056 7.222,1057 3.622,1058 7.315,1059 0.928,1060 8.823,1061 2.555,1062 5.894,1063 6.686,1064 4.789,1065 10.28,1066 5.707,1067 8.615,1068 0.739,1069 10.494,1070 2.131,1071 6.176,1072 7.178,1073 0.637,1074 11.927,1075 5.941,1076 9.95,1077 0.618,1078 12.204,1079 1.755,1080 7.687,1081 8.99,1082 6.668,1083 14.47,1084 7.411,1085 11.308,1086 0.43,1087 13.942,1088 0.791,1089 8.379,1090 9.918,1091 0.607,1092 16.483,1093 8.053,1094 12.686,1095 0.321,1096 15.702,1097 0.746,1098 9.636,1099 11.469,1100 8.62,1101 18.861,1102 9.269,1103 3.018,1104 -0.104,1105 17.477,1106 0.624,1107 10.527,1108 12.605,1109 0.548,1110 21.037,1111 10.109,1112 2.813,1113 10.151,1114 19.266,1115 -0.274,1116 11.677,1117 14.039,1118 10.59,1119 23.363,1120 11.216,1121 2.611,1122 8.209,1123 21.066,1124 3.798,1125 12.665,1126 15.273,1127 0.481,1128 25.612,1129 12.151,1130 2.177,1131 7.479,1132 22.875,1133 3.736,1134 13.77,1135 16.652,1136 12.566,1137 27.923,1138 13.211,1139 2.131,1140 6.169,1141 24.692,1142 2.711,1143 14.805,1144 17.933,1145 0.415,1146 30.205,1147 14.193,1148 1.806,1149 6.132,1150 26.517,1151 2.466,1152 15.894,1153 19.286,1154 14.544,1155 32.515,1156 15.234,1157 1.509,1158 5.065,1159 28.348,1160 2.393,1161 16.953,1162 20.591,1163 0.355,1164 34.813,1165 16.239,1166 10952,1167 17710,1168 20.167,1169 35.319,1170 45.376,1171 48.014,1172 44.718,1173 42.802,1174 42.834,1175 50.538,1176 16.241,1177 115.726,1178 40.663,1179 5.392,1180 6.153,1181 6.189,1182 5.018,1183 5.018,1184 6.553,1185 5.379,1186 16.833,1187 4.783,1188 12.732,1189 1.513,1190 1.6,1191 1.491,1192 1.427,1193 1.428,1194 1.685,1195 0.541,1196 3.858,1197 1.355,1198 3.985,1199 4.021,1200 3.92,1201 3.82,1202 6.856,1203 3.839,1204 3.881,1205 3.939,1206 3.825,1207 3.711,1208 6.782,1209 3.733,1210 3.808,1211 3.851,1212 3.696,1213 3.648,1214 5.039,1215 3.651,1216 3.525,1217 3.596,1218 3.427,1219 3.345,1220 4.647,1221 3.355,1222 3.402,1223 3.47,1224 3.28,1225 3.209,1226 4.511,1227 3.214,1228 3.31,1229 3.376,1230 3.135,1231 3.049,1232 4.203,1233 3.055,1234 3.184,1235 3.273,1236 2.986,1237 3,1238 4.142,1239 2.985,1240 3.006,1241 3.109,1242 2.915,1243 2.789,1244 3.663,1245 2.773,1246 0.146,1247 0.142,1248 0.217,1249 0.132,1250 0.101,1251 4.392,1252 0.127,1253 4.259,1254 0.09,1255 6.5,1256 0.338,1257 3.96,1258 0.095,1259 3.018,1260 3.798,1261 2.689,1262 10.151,1263 2.846,1264 1.827,1265 1.771,1266 2.034,1267 2.026,1268 1.394,1269 2.031,1270 1.705,1271 1.654,1272 1.89,1273 1.917,1274 1.173,1275 1.912,1276 1.601,1277 1.559,1278 1.749,1279 1.776,1280 1.002,1281 1.753,1282 1.527,1283 1.48,1284 1.714,1285 1.725,1286 0.932,1287 1.733,1288 1.478,1289 1.424,1290 1.668,1291 1.688,1292 0.855,1293 1.692,1294 1.311,1295 1.243,1296 1.599,1297 1.543,1298 0.799,1299 1.564,1300 1.246,1301 1.175,1302 1.533,1303 1.521,1304 0.622,1305 1.529,1306 1.051,1307 0.958,1308 1.419,1309 1.308,1310 0.558,1311 1.343,1312 4.111,1314 5.38,1315 3.045,1316 6.83,1317 5.283,1318 8.362,1319 7.261,1320 9.938,1322 1.781,1328 8.837,1329 6.489,1330 5.479,1332 0.325,1333 4.412,1338 18.075,1339 3.899,1340 33.353,1341 86.658,1342 183.663,1343 249.437,1344 288.457,1345 294.457,1346 296.457,1347 52.072,1348 7.216,1349 100.49,1350 100.49,1351 16,1352 12.24,1353 3.17,1354 3.087,1355 50.173,1356 139,1357 118,1358 0.174,1359 208.704,1360 371.68,1361 500.997,1362 15051,1364 19.769,1365 0.706,1366 0.586,1367 19.769,1368 16.408,1369 13.728,1370 0.458,1371 0.327,1372 9.608,1373 13.022,1374 9.41,1375 7.767,1376 13.728,1377 9.799,1378 11.304,1379 0.29,1380 0.183,1381 11.304,1382 7.141,1383 9.595,1384 0.192,1385 0.104,1386 9.595,1387 5.201,1388 7.892,1389 0.127,1390 0.06,1391 7.892,1392 3.731,1393 5.368,1394 0.085,1395 0.038,1396 5.368,1397 2.367,1398 0.287,1399 87.15,1400 0.223,1401 27.637,1402 0.442,1403 138,1404 410.717,1405 154.134,1406 392.445,1407 523.64,1408 368,1409 158,1410 368.472,1411 175.524,1412 372.251,1413 534.06,1414 347,1415 5.481}
{0 CHEMBL1203537,1 1.5,2 12.72,3 1.578,4 2.491,5 97.819,6 6.716,7 0.192,8 3.996,9 4.144,10 3.457,11 3.442,12 5.068,13 3.415,14 4.557,15 4.782,16 3.708,17 3.8,18 5.451,19 3.733,20 4.819,21 5.083,22 3.722,23 3.919,24 5.715,25 3.803,26 4.844,27 5.13,28 3.679,29 3.91,30 5.818,31 3.771,32 4.77,33 5.04,34 3.565,35 3.846,36 5.688,37 3.711,38 4.702,39 4.976,40 3.44,41 3.742,42 5.666,43 3.604,44 4.513,45 4.788,46 3.286,47 3.59,48 5.42,49 3.446,50 4.431,51 4.722,52 3.211,53 3.503,54 5.25,55 3.353,56 0.043,57 0.76,58 11.835,59 4.056,60 13.293,61 6.283,62 0.216,63 1.122,64 21.869,65 6.503,66 18.099,67 10.429,68 0.439,69 1.286,70 29.196,71 8.451,72 41.655,73 13.64,74 0.379,75 1.287,76 29.824,77 9.083,78 63.192,79 14.42,80 0.333,81 1.164,82 27.763,83 8.468,84 47.763,85 13.213,86 0.419,87 1.078,88 26.224,89 7.238,90 58.136,91 11.745,92 0.28,93 0.925,94 21.392,95 6.301,96 39.365,97 10.123,98 0.224,99 0.835,100 19.6,101 5.881,102 26.667,103 9.622,104 26,105 32,106 0.255,107 0.551,108 0.735,109 0.82,110 0.827,111 0.833,112 3.265,113 1.008,114 -0.86,115 -0.97,116 -1.08,121 35.3,123 3,126 1,127 6,138 1,141 1,144 2,154 2,160 2,176 3,180 6,184 1,185 2,187 1,191 1,192 2,195 1,196 1,197 1,205 1,206 1,209 4,211 1,219 2,223 1,224 1,227 2,232 1,235 2,237 1,239 3,247 2,249 1,251 1,256 1,259 1,261 3,264 1,272 1,274 2,277 1,281 972,282 17.37,283 17.37,284 17.37,285 17.37,286 17.37,287 16.283,288 26.644,289 10.713,290 17.707,291 12.67,292 12.67,293 12.67,294 12.67,295 12.67,296 10.781,297 34.226,298 4.855,299 13.177,300 4.172,301 2.426,302 1.339,303 0.838,304 0.799,305 0.76,306 3.933,310 1,311 1,312 1,313 649,314 4.062,317 83.604,318 98.188,325 2.154,326 20.511,328 1,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 54,338 318,339 4.306,340 4.254,341 6.109,342 3.772,343 2.802,344 3.736,345 2.689,346 8.856,347 2.748,348 4.128,349 3.869,350 5.719,351 3.762,352 2.788,353 3.723,354 1.539,355 8.109,356 2.695,357 3.533,358 3.06,359 5.327,360 3.406,361 2.46,362 2.607,363 0.916,364 6.946,365 2.32,366 3.322,367 2.88,368 4.774,369 2.926,370 1.95,371 2.241,372 0.657,373 5.35,374 1.904,375 3.303,376 2.753,377 4.364,378 2.695,379 1.744,380 2.017,381 0.647,382 4.124,383 1.652,384 3.134,385 2.25,386 3.675,387 2.427,388 1.476,389 1.591,390 0.247,391 3.148,392 1.401,393 2.648,394 1.945,395 3.574,396 2.335,397 1.37,398 1.424,399 0.172,400 2.983,401 1.316,402 2.432,403 1.695,404 3.284,405 1.984,406 1,407 1.303,409 2.136,410 0.983,411 2.213,412 1.476,413 3.247,414 1.81,415 0.858,416 1.088,418 1.863,419 0.813,420 2.016,421 1.171,422 3.071,423 1.65,424 0.687,425 1,427 1.511,428 0.662,429 2,430 1.077,431 2.729,432 1.547,433 0.618,434 0.812,436 0.791,437 0.572,438 1.806,439 0.795,440 2.618,441 1.177,442 0.249,443 0.289,445 0.379,446 0.231,447 1.204,448 0.477,449 2.471,450 0.891,451 -0.065,452 -0.075,454 -0.136,455 -0.061,456 0.988,457 0.175,458 2.338,459 0.742,460 -0.199,461 -0.264,463 -0.383,464 -0.187,465 0.669,466 -0.071,467 1.756,468 0.357,469 -0.573,470 -0.824,472 -0.982,473 -0.53,474 11.733,475 0.469,476 0.324,477 0.013,478 27.25,479 1.09,480 11,481 0.44,482 16.25,483 0.65,484 21.738,485 0.87,486 28.467,487 0.558,488 18.733,489 0.749,490 5.36,491 0.214,492 6.902,493 0.276,494 0.111,496 0.205,501 0.991,502 1.595,503 0.921,504 1.303,505 0.464,506 1.126,507 1.17,508 1.138,509 1.033,510 1.081,511 0.455,512 1.034,513 1.118,514 1.051,515 1.003,516 0.997,517 0.501,518 0.998,519 0.754,520 0.943,521 0.913,522 1.032,523 0.429,524 1.001,525 1.247,526 0.975,527 1.033,528 1.026,529 1.053,530 1.02,531 1.387,532 0.928,533 1.167,534 0.984,535 1.534,536 1.048,537 1.071,538 0.998,539 1.103,540 1.07,541 0.924,542 1.093,543 0.72,544 1.001,545 0.911,546 1.01,547 0.698,548 0.986,549 4,550 0.097,551 1.778,552 1.382,553 0.676,554 0.358,555 0.247,556 0.15,557 0.132,558 0.11,559 8037,560 20447,561 1.996,562 51,563 2,564 17,567 3,569 4,572 1.671,573 1.899,574 3.625,575 1.005,576 1,577 1,582 76.514,583 1.5,584 3.246,585 4.334,586 4.834,587 4.873,588 4.913,589 3.049,590 4.244,591 4.618,592 3.837,593 1151.02,594 7.937,595 15564.1,597 1,599 1,600 289.294,601 1.21,602 4.589,603 0.154,604 0.005,605 0.056,606 0.045,607 0.023,608 0.014,609 0.011,610 0.008,611 0.007,612 0.006,613 0.329,614 0.33,615 1,616 2.22,617 125.936,618 -0.059,619 -0.262,620 0.038,621 -0.114,622 0.118,623 -0.034,624 -0.103,625 0.002,626 -0.046,627 -0.042,628 0.019,629 -0.03,630 0.031,631 -0.071,632 -0.008,633 -0.007,634 0.119,635 -0.018,636 0.143,637 0.013,638 0.059,639 -0.053,640 0.282,641 -0.017,642 -0.098,643 -0.038,644 -0.045,645 -0.026,646 -0.106,647 -0.031,648 -0.131,649 0.024,650 -0.16,651 -0.033,652 -0.244,653 -0.095,654 -0.062,655 -0.023,656 -0.122,657 -0.091,658 -0.045,659 -0.116,660 0.085,661 -0.064,662 0.049,663 -0.025,664 -0.001,665 0.006,666 1.615,667 2.857,668 0.44,669 26.755,670 0.996,671 1.144,672 -0.366,673 0.134,674 0.629,675 3.296,676 3.497,677 3.689,678 3.829,679 3.807,680 3.714,681 3.784,682 3.829,683 3.85,684 3.871,685 7.707,686 0.59,687 342.5,688 3.296,689 4.762,690 5.557,691 6.372,692 7.179,693 7.999,694 8.81,695 9.633,696 10.447,697 11.271,698 11.8,700 3,701 1,707 2,715 2,718 1,720 2,722 5,741 51,743 8,745 26,747 52,748 18,749 4,756 2,757 2,767 3,770 3,771 2,772 6,773 10,777 1,786 2,789 1,790 1,792 1,793 26,794 7,795 3,796 7,802 6,808 1,809 1,828 1,829 1,838 2,850 1,853 3,855 1,859 2,864 1,868 25,876 9,877 3,881 1,885 2,889 2,891 2,893 2,898 1,901 13.167,902 9.183,903 6.028,904 3.199,907 1.469,908 1.224,909 0.931,910 8.347,911 8.023,912 3.541,913 3.897,914 4.368,915 4.771,916 4.692,917 4.652,918 4.813,919 4.908,920 5.015,921 5.241,922 1,923 31,924 9.195,926 3.639,927 0.026,929 7.747,931 17.789,933 13.826,936 2.247,937 56.167,941 270.735,942 97.201,943 119.275,945 9.507,948 97.201,949 280.243,950 119.275,951 8.396,952 20.238,953 72.985,954 33.203,955 80.264,956 10.898,957 270.735,959 270.735,960 216.477,961 9.507,964 223.651,965 56.592,968 139.513,969 76.964,972 270.735,973 128.783,974 97.201,977 270.735,978 36.649,979 30.473,980 87.236,981 71.626,982 270.735,983 128.783,984 97.201,986 0.543,987 0.324,988 0.173,989 0.076,990 11,991 5,992 0.173,993 9,995 1,996 3.896,997 175.674,999 11,1000 108.096,1005 19.339,1006 10.79,1007 6.436,1009 128.783,1010 4.069,1013 5.876,1015 1.941,1017 54.032,1018 496.719,1019 33.5,1028 0.504,1031 50.774,1032 58.351,1034 0.264,1035 0.572,1036 0.764,1037 0.852,1038 0.859,1039 0.866,1040 4.756,1041 1,1042 5.468,1043 2.983,1044 4.174,1045 4.58,1046 3.158,1047 6.151,1048 4.1,1049 5.9,1050 0.858,1051 6.944,1052 2.136,1053 3.434,1054 4.06,1055 0.325,1056 6.823,1057 3.341,1058 7.159,1059 0.687,1060 8.519,1061 1.863,1062 5.638,1063 6.572,1064 4.775,1065 9.843,1066 5.498,1067 8.452,1068 0.618,1069 10.155,1070 1.511,1071 5.802,1072 7.039,1073 0.393,1074 11.382,1075 5.645,1076 9.781,1077 0.249,1078 11.832,1079 0.791,1080 7.359,1081 8.888,1082 6.666,1083 13.851,1084 7.162,1085 11.134,1086 -0.065,1087 13.536,1088 0.379,1089 7.953,1090 9.8,1091 0.384,1092 15.737,1093 7.739,1094 12.506,1095 -0.199,1096 15.259,1097 -0.136,1098 9.226,1099 11.366,1100 8.619,1101 18.012,1102 8.976,1103 2.802,1104 -0.573,1105 16.996,1106 -0.383,1107 10.032,1108 12.488,1109 0.351,1110 20.046,1111 9.765,1112 2.788,1113 8.856,1114 18.743,1115 -0.982,1116 11.173,1117 13.925,1118 10.59,1119 22.248,1120 10.874,1121 2.46,1122 8.109,1123 20.498,1124 3.736,1125 12.086,1126 15.147,1127 0.312,1128 24.349,1129 11.768,1130 1.95,1131 6.946,1132 22.26,1133 3.723,1134 13.164,1135 16.522,1136 12.566,1137 26.524,1138 12.818,1139 1.744,1140 5.35,1141 24.027,1142 2.607,1143 14.131,1144 17.792,1145 0.273,1146 28.656,1147 13.765,1148 1.476,1149 4.124,1150 25.798,1151 2.241,1152 15.179,1153 19.137,1154 14.544,1155 30.822,1156 14.787,1157 1.37,1158 3.148,1159 27.573,1160 2.017,1161 16.174,1162 20.431,1163 0.236,1164 32.971,1165 15.76,1166 8088,1167 13051,1168 17.277,1169 32.103,1170 38.759,1171 41.102,1172 37.926,1173 35.996,1174 36.002,1175 43.663,1176 13.739,1177 92.391,1178 34.594,1179 5.306,1180 6.147,1181 5.911,1182 4.812,1183 4.802,1184 6.462,1185 5.379,1186 14.733,1187 4.685,1188 11.709,1189 1.491,1190 1.581,1191 1.459,1192 1.384,1193 1.385,1194 1.679,1195 0.528,1196 3.553,1197 1.331,1198 3.976,1199 4.009,1200 3.912,1201 3.815,1202 6.856,1203 3.833,1204 3.798,1205 3.862,1206 3.745,1207 3.644,1208 6.782,1209 3.653,1210 3.782,1211 3.83,1212 3.663,1213 3.629,1214 5.039,1215 3.639,1216 3.528,1217 3.604,1218 3.397,1219 3.332,1220 4.508,1221 3.336,1222 3.276,1223 3.373,1224 3.129,1225 3.044,1226 4.304,1227 3.044,1228 3.22,1229 3.311,1230 3.033,1231 2.999,1232 4.204,1233 2.997,1234 3.111,1235 3.206,1236 2.915,1237 2.941,1238 3.889,1239 2.91,1240 3.041,1241 3.147,1242 2.866,1243 2.792,1244 3.659,1245 2.79,1246 0.166,1247 0.164,1248 0.235,1249 0.145,1250 0.108,1251 4.306,1252 0.144,1253 4.254,1254 0.103,1255 6.109,1256 0.341,1257 3.772,1258 0.106,1259 2.802,1260 3.736,1261 2.689,1262 8.856,1263 2.748,1264 1.832,1265 1.768,1266 2.055,1267 2.021,1268 1.408,1269 2.036,1270 1.72,1271 1.668,1272 1.892,1273 1.936,1274 1.116,1275 1.927,1276 1.608,1277 1.561,1278 1.763,1279 1.808,1280 0.937,1281 1.796,1282 1.509,1283 1.47,1284 1.703,1285 1.676,1286 0.864,1287 1.686,1288 1.372,1289 1.319,1290 1.614,1291 1.591,1292 0.825,1293 1.603,1294 1.233,1295 1.131,1296 1.513,1297 1.499,1298 0.739,1299 1.5,1300 1.153,1301 1.064,1302 1.482,1303 1.376,1304 0.541,1305 1.429,1306 1.026,1307 0.934,1308 1.341,1309 1.292,1310 0.445,1311 1.314,1312 3.97,1314 5.198,1315 2.398,1316 6.611,1317 4.595,1318 8.102,1319 6.555,1320 9.633,1322 1.678,1328 9.069,1329 9.155,1333 2.442,1338 17.714,1339 3.72,1340 30.111,1341 76.514,1342 165.545,1343 221.029,1344 246.539,1345 248.539,1346 250.539,1347 49.437,1348 6.554,1349 100.05,1350 100.05,1351 11,1352 11.851,1353 3.17,1354 3.087,1355 52.213,1356 118,1357 94,1358 0.212,1359 192.916,1360 340.65,1361 462.475,1362 6139,1364 17.908,1365 0.716,1366 0.591,1367 17.908,1368 14.769,1369 12.262,1370 0.472,1371 0.336,1372 8.589,1373 11.723,1374 8.395,1375 7.018,1376 12.262,1377 8.733,1378 9.668,1379 0.302,1380 0.188,1381 9.668,1382 6.032,1383 7.968,1384 0.204,1385 0.107,1386 7.968,1387 4.172,1388 6.294,1389 0.14,1390 0.064,1391 6.294,1392 2.866,1393 4.149,1394 0.094,1395 0.042,1396 4.149,1397 1.827,1398 0.352,1399 77.219,1400 0.241,1401 25.321,1402 0.535,1403 116,1404 339.669,1405 128.228,1406 332.418,1407 441.78,1408 310,1409 129,1410 311.428,1411 141.951,1412 315.794,1413 447.84,1414 295,1415 6.081}
{0 CHEMBL1203538,1 1.48,2 12.815,3 2.389,4 5.708,5 105.746,6 6.701,7 0.172,8 4.082,9 4.226,10 3.557,11 3.549,12 5.1,13 3.52,14 4.676,15 4.896,16 3.844,17 3.941,18 5.529,19 3.873,20 4.977,21 5.241,22 3.879,23 4.108,24 5.807,25 3.987,26 5.025,27 5.309,28 3.81,29 4.109,30 5.9,31 3.952,32 4.951,33 5.24,34 3.698,35 3.987,36 5.794,37 3.842,38 4.791,39 5.064,40 3.551,41 3.843,42 5.748,43 3.711,44 4.606,45 4.864,46 3.449,47 3.734,48 5.496,49 3.598,50 4.559,51 4.837,52 3.389,53 3.649,54 5.377,55 3.515,56 0.043,57 0.835,58 12.867,59 4.596,60 12.101,61 6.979,62 0.233,63 1.3,64 24.563,65 7.496,66 16.552,67 11.877,68 0.481,69 1.553,70 34.033,71 10.411,72 40.833,73 16.412,74 0.389,75 1.574,76 35.438,77 11.692,78 56.854,79 18.074,80 0.379,81 1.385,82 33.398,83 10.186,84 43.161,85 16.002,86 0.457,87 1.207,88 28.69,89 8.012,90 59.596,91 12.796,92 0.276,93 1.052,94 23.286,95 7.518,96 37.008,97 11.489,98 0.267,99 0.966,100 22.331,101 6.915,102 27.414,103 10.886,104 10,105 37,106 0.246,107 0.515,108 0.68,109 0.798,110 0.817,111 0.823,112 3.339,113 1.018,114 -1.32,115 -1.41,116 -1.47,121 36.4,123 4,127 8,138 1,141 1,144 2,154 2,160 2,176 4,180 7,183 1,185 1,187 2,191 1,192 3,195 2,197 1,200 1,205 3,206 1,209 2,211 1,219 2,223 1,224 1,227 2,231 1,232 3,235 1,239 4,244 1,247 2,251 2,256 1,259 1,261 3,264 1,268 1,274 3,277 1,281 1148,282 18.861,283 18.861,284 18.861,285 18.861,286 18.861,287 17.799,288 28.212,289 11.592,290 19.223,291 14.236,292 14.236,293 14.236,294 14.236,295 14.236,296 12.394,297 37.904,298 5.365,299 14.831,300 4.301,301 2.683,302 1.691,303 0.982,304 0.873,305 0.836,306 4.025,310 1,311 1,312 1,313 732,314 3.536,317 170.583,319 111.229,325 2.071,326 21.398,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 58,338 346,339 4.392,340 4.259,341 6.5,342 3.96,343 3.018,344 3.798,345 2.689,346 10.151,347 2.846,348 4.128,349 3.869,350 5.718,351 3.771,352 2.787,353 3.735,354 1.539,355 8.108,356 2.748,357 3.582,358 3.209,359 5.325,360 3.396,361 2.452,362 2.602,363 0.916,364 6.94,365 2.31,366 3.524,367 3.058,368 5.201,369 3.122,370 2.166,371 2.462,372 0.886,373 6.152,374 2.064,375 3.303,376 2.749,377 4.772,378 2.914,379 1.932,380 2.231,381 0.657,382 5.34,383 1.897,384 3.131,385 2.296,386 3.999,387 2.566,388 1.596,389 1.636,390 0.4,391 3.416,392 1.544,393 2.816,394 2.215,395 3.703,396 2.442,397 1.487,398 1.572,399 0.172,400 3.305,401 1.415,402 2.598,403 1.773,404 3.533,405 2.237,406 1.247,407 1.303,409 2.606,410 1.233,411 2.459,412 1.627,413 3.414,414 2.029,415 1.11,416 1.247,418 2.578,419 1.019,420 2.247,421 1.449,422 3.397,423 1.878,424 0.928,425 1.198,427 2.131,428 0.879,429 2.224,430 1.298,431 3.274,432 1.736,433 0.743,434 1.096,436 1.762,437 0.737,438 2.102,439 1.069,440 2.912,441 1.547,442 0.618,443 1.03,445 0.791,446 0.572,447 1.526,448 0.845,449 2.715,450 1.281,451 0.328,452 0.349,454 0.764,455 0.311,456 1.392,457 0.524,458 2.618,459 1.091,460 0.12,461 0.126,463 0.281,464 0.116,465 1.187,466 0.28,467 2.312,468 0.67,469 -0.259,470 -0.42,472 -0.361,473 -0.24,474 12.733,475 0.472,476 0.376,477 0.014,478 29,479 1.074,480 11,481 0.407,482 18,483 0.667,484 25.356,485 0.939,486 30.467,487 0.554,488 19.454,489 0.721,490 5.421,491 0.201,492 7.875,493 0.292,494 0.063,496 0.22,501 0.945,502 1.603,503 0.899,504 1.3,505 0.424,506 1.121,507 1.188,508 1.176,509 1.048,510 1.094,511 0.426,512 1.049,513 1.097,514 0.994,515 1.006,516 0.967,517 0.471,518 0.982,519 0.657,520 1.002,521 0.933,522 1.107,523 0.391,524 1.067,525 1.143,526 0.938,527 0.923,528 0.932,529 0.957,530 0.916,531 1.527,532 0.86,533 1.178,534 0.927,535 1.756,536 1.003,537 1.14,538 1.04,539 1.097,540 1.127,541 0.928,542 1.122,543 1.007,544 0.96,545 0.939,546 0.972,547 0.754,548 0.955,549 4,550 0.097,551 2,552 1.569,553 0.785,554 0.511,555 0.293,556 0.147,557 0.15,558 0.085,559 10268,560 23936,561 2.079,562 50.9,563 4,564 18,567 2,569 4,572 1.693,573 2,574 3.641,575 0.267,576 1,577 1,582 81.421,583 1.48,584 3.099,585 4.09,586 4.8,587 4.909,588 4.945,589 3.056,590 4.31,591 4.73,592 3.857,593 1353.78,594 8.164,595 19014.8,597 1,599 1,600 317.975,601 1.117,602 4.711,603 0.138,604 0.005,605 0.054,606 0.042,607 0.024,608 0.017,609 0.012,610 0.006,611 0.007,612 0.004,613 0.309,614 0.33,615 1,616 0.908,617 138.599,618 -0.023,619 -0.288,620 0.061,621 -0.121,622 0.142,623 -0.032,624 -0.103,625 -0.027,626 -0.057,627 -0.061,628 0.022,629 -0.048,630 0.015,631 -0.005,632 -0.014,633 0.027,634 0.104,635 0.002,636 0.156,637 -0.052,638 0.028,639 -0.107,640 0.251,641 -0.067,642 -0.037,643 -0.044,644 0.067,645 0.038,646 -0.064,647 0.06,648 -0.161,649 0.102,650 -0.157,651 0.011,652 -0.287,653 -0.061,654 -0.046,655 -0.054,656 -0.114,657 -0.115,658 -0.04,659 -0.127,660 0.031,661 -0.021,662 0.044,663 0.015,664 -0.028,665 0.031,666 1.517,667 3.031,668 0.63,669 28.241,670 0.994,671 1.141,672 0.094,673 0.009,674 0.634,675 3.401,676 3.638,677 3.871,678 4.078,679 4.078,680 4.127,681 4.078,682 4.094,683 4.174,684 4.248,685 7.819,686 0.593,687 368.54,688 3.401,689 4.89,690 5.707,691 6.544,692 7.375,693 8.217,694 9.054,695 9.899,696 10.738,697 11.584,698 10.9,700 2,701 2,707 2,715 2,718 1,720 2,722 5,741 55,743 8,745 29,747 57,748 20,749 4,756 3,757 3,767 4,770 4,771 2,772 6,773 12,777 1,786 2,789 1,790 1,792 1,793 28,794 7,795 2,796 7,802 6,808 1,809 1,828 2,830 1,838 2,850 1,853 2,855 2,859 3,868 27,876 12,877 2,881 2,885 2,889 2,891 2,893 1.8,898 1,901 13.5,902 9.633,903 6.306,904 3.636,907 1.579,908 1.222,909 0.953,910 7.594,911 8.699,912 3.624,913 3.994,914 4.476,915 4.906,916 4.935,917 5.016,918 5.088,919 5.111,920 5.263,921 5.526,922 1,923 37,924 9.984,926 4.082,927 0.026,929 7.654,931 19.606,933 15.925,936 2.154,937 58.167,940 1,941 306.049,942 95.551,943 104.389,945 9.507,948 95.551,949 315.556,950 104.389,952 26.984,953 54.974,954 33.203,955 83.388,956 10.898,957 306.049,959 306.049,960 199.94,961 9.507,964 258.964,965 56.592,968 131.373,969 68.567,972 306.049,973 113.896,974 95.551,977 306.049,978 43.395,979 25.201,980 69.225,981 71.626,982 306.049,983 113.896,984 95.551,986 0.552,987 0.328,988 0.182,989 0.084,990 15,991 6,992 0.123,993 7,995 1,996 4.095,997 207.815,999 17,1000 118.382,1005 19.766,1006 10.374,1007 5.743,1009 113.896,1010 4.131,1013 5.968,1015 1.986,1017 36.022,1018 515.496,1019 36.5,1028 0.802,1031 54.658,1032 62.766,1034 0.256,1035 0.536,1036 0.707,1037 0.83,1038 0.849,1039 0.855,1040 4.862,1041 1.247,1042 5.631,1043 3.305,1044 4.317,1045 4.677,1046 3.185,1047 6.354,1048 4.237,1049 6.001,1050 1.11,1051 7.127,1052 2.606,1053 3.611,1054 4.159,1055 0.57,1056 7.096,1057 3.485,1058 7.263,1059 0.928,1060 8.725,1061 2.578,1062 5.814,1063 6.65,1064 4.78,1065 10.177,1066 5.651,1067 8.559,1068 0.743,1069 10.389,1070 2.131,1071 6.043,1072 7.131,1073 0.637,1074 11.837,1075 5.827,1076 9.893,1077 0.618,1078 12.097,1079 1.762,1080 7.586,1081 8.963,1082 6.667,1083 14.386,1084 7.336,1085 11.252,1086 0.328,1087 13.838,1088 0.791,1089 8.26,1090 9.894,1091 0.607,1092 16.419,1093 7.956,1094 12.632,1095 0.12,1096 15.601,1097 0.764,1098 9.529,1099 11.453,1100 8.619,1101 18.802,1102 9.189,1103 3.018,1104 -0.259,1105 17.383,1106 0.281,1107 10.418,1108 12.591,1109 0.548,1110 20.992,1111 10.024,1112 2.787,1113 10.151,1114 19.178,1115 -0.361,1116 11.573,1117 14.029,1118 10.59,1119 23.323,1120 11.138,1121 2.452,1122 8.108,1123 20.985,1124 3.798,1125 12.563,1126 15.265,1127 0.481,1128 25.581,1129 12.076,1130 2.166,1131 6.94,1132 22.802,1133 3.735,1134 13.673,1135 16.647,1136 12.566,1137 27.897,1138 13.14,1139 1.932,1140 6.152,1141 24.626,1142 2.602,1143 14.712,1144 17.93,1145 0.415,1146 30.185,1147 14.126,1148 1.596,1149 5.34,1150 26.457,1151 2.462,1152 15.805,1153 19.283,1154 14.544,1155 32.498,1156 15.17,1157 1.487,1158 3.416,1159 28.294,1160 2.231,1161 16.868,1162 20.589,1163 0.355,1164 34.8,1165 16.18,1166 9940,1167 15388,1168 19.761,1169 34.864,1170 43.611,1171 46.132,1172 42.713,1173 41.096,1174 41.062,1175 48.772,1176 14.521,1177 108.651,1178 39.385,1179 5.361,1180 6.106,1181 6.298,1182 5.018,1183 5.018,1184 6.553,1185 5.379,1186 16.833,1187 4.791,1188 10.058,1189 1.504,1190 1.591,1191 1.473,1192 1.417,1193 1.416,1194 1.682,1195 0.501,1196 3.747,1197 1.358,1198 3.982,1199 4.019,1200 3.916,1201 3.819,1202 6.856,1203 3.837,1204 3.88,1205 3.937,1206 3.825,1207 3.711,1208 6.782,1209 3.733,1210 3.801,1211 3.853,1212 3.666,1213 3.658,1214 5.039,1215 3.651,1216 3.526,1217 3.599,1218 3.428,1219 3.346,1220 4.512,1221 3.356,1222 3.404,1223 3.472,1224 3.282,1225 3.215,1226 4.299,1227 3.219,1228 3.288,1229 3.375,1230 3.119,1231 3.125,1232 4.181,1233 3.097,1234 3.278,1235 3.364,1236 3.057,1237 3.09,1238 3.783,1239 3.085,1240 3.033,1241 3.132,1242 2.915,1243 2.834,1244 3.654,1245 2.819,1246 0.151,1247 0.147,1248 0.224,1249 0.137,1250 0.104,1251 4.392,1252 0.131,1253 4.259,1254 0.093,1255 6.5,1256 0.35,1257 3.96,1258 0.098,1259 3.018,1260 3.798,1261 2.689,1262 10.151,1263 2.846,1264 1.712,1265 1.654,1266 1.975,1267 1.925,1268 1.336,1269 1.92,1270 1.706,1271 1.647,1272 1.909,1273 1.906,1274 1.229,1275 1.912,1276 1.699,1277 1.638,1278 1.89,1279 1.873,1280 1.173,1281 1.909,1282 1.599,1283 1.557,1284 1.746,1285 1.775,1286 1.001,1287 1.753,1288 1.508,1289 1.442,1290 1.7,1291 1.722,1292 0.884,1293 1.733,1294 1.413,1295 1.362,1296 1.623,1297 1.59,1298 0.821,1299 1.607,1300 1.296,1301 1.234,1302 1.52,1303 1.52,1304 0.618,1305 1.522,1306 0.944,1307 0.85,1308 1.259,1309 1.246,1310 0.528,1311 1.24,1312 4.078,1314 5.333,1315 3.045,1316 6.753,1317 5.352,1318 8.255,1319 7.357,1320 9.805,1328 12.269,1329 6.509,1333 4.529,1338 18.063,1339 3.91,1340 32.638,1341 81.421,1342 170.426,1343 224.955,1344 263.975,1345 269.975,1346 271.975,1347 47.388,1348 7.12,1349 91.26,1350 91.26,1351 17,1352 12.146,1353 3.17,1354 3.087,1355 47.434,1356 130,1357 97,1358 0.176,1359 204.707,1360 362.89,1361 491.246,1362 13498,1364 18.899,1365 0.7,1366 0.587,1367 18.899,1368 15.837,1369 13.296,1370 0.458,1371 0.339,1372 9.692,1373 12.743,1374 9.53,1375 7.881,1376 13.296,1377 9.839,1378 10.854,1379 0.293,1380 0.192,1381 10.854,1382 7.096,1383 9.101,1384 0.194,1385 0.109,1386 9.101,1387 5.104,1388 7.504,1389 0.129,1390 0.063,1391 7.504,1392 3.676,1393 5.074,1394 0.087,1395 0.04,1396 5.074,1397 2.343,1398 0.289,1399 83.443,1400 0.225,1401 26.815,1402 0.447,1403 132,1404 360.982,1405 145.255,1406 352.409,1407 474.6,1408 330,1409 150,1410 340.836,1411 164.644,1412 343.953,1413 494.22,1414 323,1415 6.921}
{0 CHEMBL1203539,1 1.5,2 12.04,3 1.713,4 2.935,5 98.5,6 6.716,7 0.192,8 3.996,9 4.143,10 3.462,11 3.435,12 5.067,13 3.409,14 4.561,15 4.792,16 3.735,17 3.783,18 5.455,19 3.728,20 4.786,21 5.046,22 3.734,23 3.908,24 5.687,25 3.807,26 4.829,27 5.087,28 3.761,29 3.981,30 5.811,31 3.85,32 4.911,33 5.198,34 3.647,35 3.938,36 5.794,37 3.792,38 4.764,39 5.048,40 3.409,41 3.772,42 5.727,43 3.621,44 4.511,45 4.789,46 3.291,47 3.602,48 5.391,49 3.446,50 4.432,51 4.714,52 3.294,53 3.5,54 5.297,55 3.38,56 0.035,57 0.76,58 11.829,59 4.012,60 13.09,61 6.263,62 0.231,63 1.125,64 22.113,65 6.125,66 18.235,67 10.132,68 0.471,69 1.268,70 28.334,71 7.942,72 38.985,73 12.888,74 0.303,75 1.349,76 28.812,77 9.717,78 53.257,79 14.872,80 0.371,81 1.301,82 32.127,83 9.54,84 49.093,85 15.204,86 0.496,87 1.117,88 28.166,89 7.494,90 66.917,91 12.281,92 0.209,93 0.927,94 21.07,95 6.679,96 34.923,97 10.603,98 0.26,99 0.828,100 19.822,101 5.71,102 29.241,103 9.252,104 38,105 33,106 0.255,107 0.531,108 0.688,109 0.791,110 0.811,111 0.818,112 3.265,113 1.01,114 -0.86,115 -0.97,116 -1.08,121 35.3,122 2,127 8,138 1,141 1,144 2,154 2,160 2,176 1,180 7,183 1,185 1,191 1,192 1,195 2,197 1,205 3,206 1,209 2,211 1,214 1,219 2,223 1,224 1,227 2,231 1,232 1,235 1,239 2,244 1,247 2,256 1,259 1,261 3,264 1,268 1,274 1,277 1,281 929,282 17.326,283 17.326,284 17.326,285 17.326,286 17.326,287 16.263,288 28.212,289 10.401,290 17.759,291 12.574,292 12.574,293 12.574,294 12.574,295 12.574,296 10.733,297 37.904,298 4.572,299 13.197,300 4.172,301 2.542,302 1.618,303 1.01,304 0.892,305 0.853,306 3.929,310 1,311 1,312 1,313 611,314 4.123,317 165.414,325 1.882,326 20.996,328 1,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 54,338 301,339 4.392,340 4.259,341 6.5,342 3.96,343 3.018,344 3.798,345 2.689,346 10.151,347 2.846,348 4.127,349 3.869,350 5.711,351 3.766,352 2.781,353 3.735,354 1.539,355 8.075,356 2.746,357 3.582,358 3.209,359 5.283,360 3.334,361 2.397,362 2.575,363 0.916,364 6.744,365 2.243,366 3.479,367 3.049,368 5.201,369 3.121,370 2.165,371 2.462,372 0.886,373 6.152,374 2.062,375 3.303,376 2.727,377 4.742,378 2.843,379 1.875,380 2.159,381 0.657,382 5.193,383 1.811,384 3.077,385 2.289,386 3.999,387 2.459,388 1.511,389 1.612,390 0.4,391 3.4,392 1.428,393 2.813,394 2.187,395 3.537,396 2.032,397 1.113,398 1.303,399 0.172,400 2.58,401 1.021,402 2.466,403 1.76,404 3.397,405 1.878,406 0.928,407 1.203,409 2.131,410 0.879,411 2.228,412 1.457,413 3.274,414 1.739,415 0.747,416 1.097,418 1.761,419 0.741,420 2.102,421 1.069,422 2.907,423 1.591,424 0.618,425 1.031,427 0.791,428 0.6,429 1.618,430 0.854,431 2.695,432 1.547,433 0.618,434 0.618,436 0.791,437 0.572,438 1.526,439 0.744,440 2.618,441 1.287,442 0.332,443 0.355,445 0.757,446 0.316,447 1.399,448 0.526,449 2.618,450 1.109,451 0.144,452 0.153,454 0.238,455 0.139,456 1.22,457 0.318,458 2.311,459 0.669,460 -0.259,461 -0.427,463 -0.361,464 -0.24,465 0.559,466 -0.119,467 2.087,468 0.393,469 -0.562,470 -0.689,472 -1.229,473 -0.532,474 11.733,475 0.469,476 0.375,477 0.015,478 27.5,479 1.1,480 11,481 0.44,482 16.5,483 0.66,484 22.336,485 0.893,486 28.467,487 0.558,488 19.054,489 0.762,490 5.465,491 0.219,492 6.745,493 0.27,494 0.153,496 0.239,501 0.965,502 1.689,503 0.909,504 1.357,505 0.472,506 1.155,507 1.236,508 1.139,509 0.987,510 1.003,511 0.449,512 0.953,513 1.262,514 0.929,515 1.029,516 0.882,517 0.534,518 0.926,519 0.637,520 1.112,521 0.95,522 1.223,523 0.449,524 1.15,525 1.123,526 0.98,527 0.954,528 0.987,529 0.934,530 0.966,531 1.521,532 0.822,533 1.218,534 0.895,535 1.7,536 1.01,537 0.696,538 1.093,539 1.004,540 1.191,541 0.819,542 1.147,543 1.06,544 0.93,545 0.898,546 0.906,547 0.78,548 0.887,549 4.5,550 0.11,551 2.222,552 1.694,553 0.82,554 0.591,555 0.345,556 0.147,557 0.168,558 0.1,559 7520,560 19208,561 1.973,562 51,564 18,567 2,569 6,572 1.673,573 1.852,574 3.556,575 0.312,576 1,577 1,582 76.514,583 1.5,584 3.131,585 4.054,586 4.662,587 4.78,588 4.819,589 2.953,590 4.164,591 4.617,592 3.763,593 1128.85,594 7.946,595 14914.6,597 1,599 1,600 289.294,601 1.359,602 4.575,603 0.173,604 0.006,605 0.067,606 0.053,607 0.026,608 0.021,609 0.016,610 0.008,611 0.008,612 0.005,613 0.384,614 0.33,615 1,616 1.509,617 124.837,618 -0.032,619 -0.359,620 0.05,621 -0.17,622 0.103,623 -0.063,624 -0.104,625 -0.006,626 0.014,627 0.005,628 0.02,629 0.031,630 -0.032,631 0.076,632 -0.023,633 0.095,634 0.094,635 0.042,636 0.175,637 -0.094,638 0.002,639 -0.173,640 0.245,641 -0.124,642 -0.046,643 -0.082,644 0.031,645 -0.009,646 -0.066,647 0.014,648 -0.204,649 0.107,650 -0.202,651 0.03,652 -0.3,653 -0.074,654 0.075,655 -0.12,656 -0.052,657 -0.181,658 0.01,659 -0.141,660 0.028,662 0.092,663 0.066,664 -0.022,665 0.088,666 1.524,667 2.996,668 0.4,669 24.819,670 0.996,671 1.144,672 -0.366,673 0.134,674 0.629,675 3.296,676 3.526,677 3.761,678 3.932,679 3.871,680 3.85,681 3.85,682 3.784,683 3.761,684 3.871,685 7.346,686 0.59,687 342.5,688 3.296,689 4.779,690 5.595,691 6.431,692 7.263,693 8.106,694 8.944,695 9.789,696 10.63,697 11.476,698 11.8,700 2,701 2,707 2,715 2,718 1,720 2,722 5,741 51,743 8,745 26,747 52,748 18,749 4,756 2,757 2,763 2,771 2,772 6,773 10,777 1,786 2,789 1,790 1,792 1,793 26,794 7,795 2,796 7,802 6,808 1,809 1,828 2,838 2,850 1,853 2,855 2,859 2,864 2,868 25,876 8,877 2,881 2,885 2,889 2,891 2,893 2,898 1,901 13.5,902 9.633,903 6.056,904 3.386,907 1.548,908 1.234,909 0.926,910 7.817,911 8.175,912 3.541,913 3.917,914 4.417,915 4.845,916 4.853,917 4.896,918 4.964,919 4.874,920 4.857,921 5.201,922 0.875,923 32,924 9.2,926 3.646,927 0.026,929 7.747,931 17.754,933 13.746,936 2.247,937 56.167,941 282.506,942 103.063,943 104.389,945 9.507,948 103.063,949 292.014,950 104.389,951 17.65,952 16.846,953 54.974,954 33.203,955 83.388,956 10.898,957 282.506,959 282.506,960 207.452,961 9.507,964 211.88,965 80.134,968 138.885,969 68.567,972 282.506,973 113.896,974 103.063,977 282.506,978 33.257,979 42.852,980 69.225,981 71.626,982 282.506,983 113.896,984 103.063,986 0.548,987 0.339,988 0.181,989 0.079,990 12,991 6,992 0.173,993 9,995 1,996 3.797,997 180.646,999 10,1000 108.096,1005 19.339,1006 10.106,1007 5.507,1009 113.896,1010 4.046,1013 5.858,1015 1.911,1017 36.022,1018 499.466,1019 33.5,1028 0.788,1031 50.774,1032 58.351,1034 0.264,1035 0.552,1036 0.715,1037 0.822,1038 0.843,1039 0.85,1040 4.773,1041 0.928,1042 5.533,1043 2.58,1044 4.205,1045 4.6,1046 3.185,1047 6.275,1048 4.114,1049 5.932,1050 0.747,1051 7.05,1052 2.131,1053 3.611,1054 4.159,1055 0.57,1056 7.096,1057 3.485,1058 7.206,1059 0.618,1060 8.667,1061 1.761,1062 5.727,1063 6.613,1064 4.78,1065 10.136,1066 5.55,1067 8.515,1068 0.618,1069 10.346,1070 0.791,1071 6.043,1072 7.131,1073 0.637,1074 11.825,1075 5.827,1076 9.859,1077 0.332,1078 12.065,1079 0.791,1080 7.526,1081 8.948,1082 6.667,1083 14.362,1084 7.265,1085 11.225,1086 0.144,1087 13.813,1088 0.757,1089 8.249,1090 9.892,1091 0.607,1092 16.406,1093 7.946,1094 12.611,1095 -0.259,1096 15.582,1097 0.238,1098 9.487,1099 11.447,1100 8.619,1101 18.787,1102 9.141,1103 3.018,1104 -0.562,1105 17.367,1106 -0.361,1107 10.401,1108 12.59,1109 0.548,1110 20.982,1111 10.008,1112 2.781,1113 10.151,1114 19.165,1115 -1.229,1116 11.542,1117 14.027,1118 10.59,1119 23.314,1120 11.105,1121 2.397,1122 8.075,1123 20.973,1124 3.798,1125 12.545,1126 15.264,1127 0.481,1128 25.574,1129 12.059,1130 2.165,1131 6.744,1132 22.791,1133 3.735,1134 13.648,1135 16.645,1136 12.566,1137 27.891,1138 13.116,1139 1.875,1140 6.152,1141 24.616,1142 2.575,1143 14.694,1144 17.929,1145 0.415,1146 30.18,1147 14.111,1148 1.511,1149 5.193,1150 26.448,1151 2.462,1152 15.785,1153 19.283,1154 14.544,1155 32.494,1156 15.152,1157 1.113,1158 3.4,1159 28.286,1160 2.159,1161 16.852,1162 20.588,1163 0.355,1164 34.797,1165 16.167,1166 7662,1167 12430,1168 16.989,1169 32.103,1170 38.727,1171 41.228,1172 38.965,1173 36.531,1174 36.493,1175 44.203,1176 14.521,1177 97.531,1178 34.807,1179 5.361,1180 6.04,1181 6.189,1182 5.018,1183 5.018,1184 6.553,1185 5.379,1186 16.833,1187 4.761,1188 13.549,1189 1.49,1190 1.586,1191 1.499,1192 1.405,1193 1.404,1194 1.7,1195 0.559,1196 3.751,1197 1.339,1198 3.971,1199 4.005,1200 3.91,1201 3.806,1202 6.856,1203 3.827,1204 3.879,1205 3.93,1206 3.825,1207 3.71,1208 6.782,1209 3.733,1210 3.666,1211 3.744,1212 3.523,1213 3.467,1214 5.039,1215 3.468,1216 3.514,1217 3.583,1218 3.418,1219 3.338,1220 4.512,1221 3.347,1222 3.396,1223 3.466,1224 3.265,1225 3.201,1226 4.279,1227 3.203,1228 3.306,1229 3.407,1230 3.04,1231 3.123,1232 4.176,1233 3.089,1234 3.101,1235 3.194,1236 2.915,1237 2.928,1238 3.892,1239 2.908,1240 2.912,1241 3.005,1242 2.897,1243 2.658,1244 3.63,1245 2.713,1246 0.169,1247 0.164,1248 0.25,1249 0.152,1250 0.116,1251 4.392,1252 0.146,1253 4.259,1254 0.103,1255 6.5,1256 0.39,1257 3.96,1258 0.109,1259 3.018,1260 3.798,1261 2.689,1262 10.151,1263 2.846,1264 1.711,1265 1.654,1266 1.946,1267 1.938,1268 1.179,1269 1.943,1270 1.705,1271 1.645,1272 1.89,1273 1.913,1274 1.173,1275 1.912,1276 1.599,1277 1.557,1278 1.747,1279 1.775,1280 1.001,1281 1.753,1282 1.509,1283 1.443,1284 1.725,1285 1.722,1286 0.877,1287 1.733,1288 1.422,1289 1.369,1290 1.703,1291 1.608,1292 0.869,1293 1.638,1294 1.351,1295 1.256,1296 1.637,1297 1.584,1298 0.799,1299 1.624,1300 1.298,1301 1.235,1302 1.524,1303 1.52,1304 0.617,1305 1.525,1306 0.946,1307 0.85,1308 1.267,1309 1.249,1310 0.39,1311 1.244,1312 3.97,1314 5.22,1315 3.045,1316 6.65,1317 5.283,1318 8.162,1319 7.261,1320 9.72,1322 4.295,1328 6.584,1329 6.463,1333 4.342,1338 17.993,1339 3.885,1340 30.111,1341 76.514,1342 159.676,1343 206.764,1344 237.784,1345 243.784,1346 245.784,1347 49.959,1348 6.627,1349 91.26,1350 91.26,1351 10,1352 12.037,1353 3.17,1354 3.087,1355 52.138,1356 113,1357 92,1358 0.226,1359 192.916,1360 340.65,1361 462.475,1362 6635,1364 18.071,1365 0.723,1366 0.6,1367 18.071,1368 15.009,1369 12.211,1370 0.47,1371 0.337,1372 8.606,1373 11.641,1374 8.376,1375 6.988,1376 12.211,1377 8.753,1378 9.679,1379 0.293,1380 0.178,1381 9.679,1382 5.867,1383 8.281,1384 0.197,1385 0.102,1386 8.281,1387 4.3,1388 6.526,1389 0.131,1390 0.057,1391 6.526,1392 2.829,1393 4.104,1394 0.087,1395 0.033,1396 4.104,1397 1.538,1398 0.37,1399 76.928,1400 0.243,1401 25.028,1402 0.578,1403 118,1404 346.982,1405 131.255,1406 338.227,1407 453.38,1408 316,1409 134,1410 324.836,1411 148.311,1412 327.32,1413 469.1,1414 307,1415 6.222}
{0 CHEMBL1203984,1 1.365,2 19.919,3 4.162,4 17.323,5 251.408,6 5.914,7 0.262,8 5.02,9 5.171,10 4.371,11 4.452,12 5.916,13 4.393,14 5.64,15 5.872,16 4.704,17 4.858,18 6.439,19 4.769,20 5.961,21 6.219,22 4.88,23 5.113,24 6.742,25 4.998,26 6.117,27 6.369,28 4.882,29 5.236,30 6.933,31 5.075,32 6.274,33 6.585,34 4.806,35 5.188,36 7.022,37 5.004,38 6.077,39 6.366,40 4.794,41 5.051,42 6.873,43 4.921,44 5.863,45 6.066,46 4.899,47 5.088,48 6.815,49 4.992,50 6.058,51 6.279,52 4.954,53 5.206,54 6.959,55 5.091,56 0.199,57 2.024,58 37.428,59 13.692,60 21.31,61 20.456,62 0.712,63 3.187,64 67.532,65 21.308,66 52.489,67 33.385,68 1.24,69 4.078,70 91.387,71 29.488,72 78.641,73 45.377,74 1.079,75 4.605,76 105.169,77 36.657,78 107.999,79 55.026,80 1.601,81 4.564,82 119.63,83 37.292,84 153.345,85 57.542,86 1.63,87 3.874,88 100.848,89 30.225,90 128.008,91 46.237,92 1.139,93 3.817,94 85.439,95 29.316,96 102.294,97 42.723,98 1.291,99 4.364,100 102.48,101 34.243,102 118.237,103 50.27,104 239,105 88,106 0.187,107 0.408,108 0.602,109 0.667,110 0.682,111 0.692,112 4.145,113 1.146,114 -2.44,115 -2.47,116 -2.42,121 34.2,122 9,123 8,127 16,144 6,145 3,146 4,148 2,160 2,173 1,176 12,180 10,183 2,185 5,187 12,189 9,191 1,192 10,194 3,195 1,197 8,200 8,205 2,206 6,209 2,211 10,214 16,218 2,219 13,222 2,224 9,227 12,229 4,231 1,232 4,234 2,235 1,237 3,239 13,241 4,243 1,244 8,246 3,247 1,248 1,250 1,251 25,253 1,256 12,258 3,260 1,263 1,264 24,268 1,269 14,271 1,272 1,274 4,276 1,277 12,279 1,280 1,281 13628,282 42.457,283 42.457,284 42.457,285 42.457,286 42.457,287 40.199,288 56.841,289 24.293,290 43.772,291 31.115,292 31.115,293 31.115,294 31.115,295 31.115,296 27.341,297 59.614,298 10.481,299 32.806,300 5.825,301 4.205,302 2.788,303 2.31,304 2.199,305 2.129,306 4.832,313 2559,314 7.382,318 857.816,322 683.624,325 2.744,326 56.587,329 0.5,330 0.33,331 0.17,332 0.7,333 1,334 0.5,335 0.5,336 0.53,337 132.5,338 1235,339 4.641,340 3.683,341 7.172,342 4.221,343 3.312,344 4.564,345 1.886,346 12.409,347 3.165,348 4.461,349 3.681,350 7.172,351 4.22,352 3.311,353 4.139,354 1.2,355 12.409,356 3.022,357 4.311,358 3.68,359 7.172,360 4.219,361 3.311,362 3.438,363 1.2,364 12.409,365 3.008,366 4.311,367 3.614,368 6.83,369 4.208,370 3.227,371 3.326,372 1.2,373 11.349,374 3.007,375 4.309,376 3.572,377 6.537,378 4.069,379 3.099,380 3.311,381 1.058,382 10.329,383 2.996,384 3.92,385 3.35,386 6.023,387 3.565,388 2.615,389 3.31,390 0.86,391 8.573,392 2.512,393 3.915,394 3.208,395 5.982,396 3.524,397 2.532,398 3.281,399 0.86,400 8.37,401 2.47,402 3.672,403 2.767,404 5.389,405 3.399,406 2.391,407 2.924,408 0.86,409 6.754,410 2.4,411 3.488,412 2.666,413 5.105,414 3.09,415 2.123,416 2.783,418 6.024,419 2.046,420 3.383,421 2.347,422 5.021,423 3.035,424 2.098,425 2.584,427 5.979,428 1.948,429 2.964,430 2.314,431 4.501,432 2.732,433 1.777,434 2.141,436 4.548,437 1.706,438 2.937,439 1.866,440 4.116,441 2.58,442 1.648,443 2.05,445 3.539,446 1.515,447 2.725,448 1.796,449 3.946,450 2.513,451 1.524,452 1.721,454 3.329,455 1.504,456 2.6,457 1.623,458 3.898,459 2.345,460 1.347,461 1.632,463 3.315,464 1.343,465 2.488,466 1.544,467 3.774,468 2.262,469 1.33,470 1.488,472 3.019,473 1.24,474 29.467,475 0.475,476 1.223,477 0.02,478 60,479 0.968,480 21,481 0.339,482 39,483 0.629,484 98.839,485 1.594,486 75.233,487 0.515,488 57.572,489 0.929,490 10.82,491 0.175,492 19.215,493 0.31,494 0.175,495 0.041,496 0.187,501 0.872,502 1.693,503 1.055,504 1.449,505 0.67,506 1.293,507 1.179,508 1.213,509 1.031,510 1.051,511 0.62,512 1.014,513 1.149,514 0.946,515 0.999,516 0.905,517 0.846,518 0.92,519 0.901,520 1.322,521 1.122,522 1.332,523 0.972,524 1.266,525 1.16,526 0.89,527 0.881,528 0.874,529 0.974,530 0.854,531 1.687,532 0.712,533 0.911,534 0.666,535 1.375,536 0.703,537 1.533,538 1.181,539 1.195,540 1.205,541 1.883,542 1.176,543 1.669,544 1.195,545 1.24,546 1.222,547 1.812,548 1.199,549 13.5,550 0.578,551 7.556,552 4.438,553 2.724,554 1.972,555 1.666,556 1.179,557 1.232,558 0.823,559 88039,560 156977,561 1.965,562 57.5,563 10,564 38,567 3,568 4,569 29,572 1.904,573 1.828,574 4.137,575 0.54,582 199.306,583 1.365,584 2.985,585 4.402,586 4.88,587 4.991,588 5.061,589 3.43,590 5.139,591 5.927,592 4.495,593 8500,594 10.636,595 221185,600 1049.71,601 1.541,602 5.866,603 0.208,604 0.006,605 0.086,606 0.043,607 0.029,608 0.023,609 0.018,610 0.011,611 0.012,612 0.008,613 0.442,614 0.33,615 0.5,616 1.788,617 402.316,618 0.051,619 -0.264,620 0.064,621 -0.137,622 -0.006,623 -0.051,624 -0.016,625 -0.005,626 0.057,627 0.031,628 0.09,629 0.052,630 0.029,631 0.165,632 0.059,633 0.128,634 0.069,635 0.105,636 0.084,637 -0.233,638 -0.103,639 -0.241,640 0.023,641 -0.199,642 0.064,643 0.002,644 0.111,645 0.049,646 0.031,647 0.082,648 -0.048,649 0.205,650 0.146,651 0.256,652 -0.033,653 0.227,654 0.002,655 -0.002,656 -0.074,657 -0.062,658 -0.085,659 -0.077,660 -0.084,661 -0.084,662 -0.134,663 -0.125,664 -0.15,665 -0.137,666 1.868,667 7.074,668 0.323,669 112.851,670 0.985,671 1.141,672 -7.215,673 52.056,674 0.607,675 4.19,676 4.489,677 4.762,678 4.89,679 5.063,680 5.204,681 5.38,682 5.501,683 5.62,684 5.628,685 12.617,686 0.555,687 863.41,688 4.19,689 5.727,690 6.572,691 7.439,692 8.299,693 9.173,694 10.041,695 10.92,696 11.794,697 12.676,698 4.8,703 1,705 2,708 1,712 3,714 2,715 6,716 1,720 7,722 17,729 1,739 3,741 146,743 19,744 2,745 65,747 149,748 50,749 15,750 6,751 6,752 1,756 4,757 7,763 9,767 4,770 8,772 17,773 33,777 2,782 2,786 2,793 84,794 9,795 3,796 12,802 7,803 3,806 1,807 3,808 0.5,809 5,822 1,829 4,833 2,859 2,864 9,868 62,876 24,877 3,878 3,883 3,893 3.4,896 2,898 3,901 33.917,902 28.283,903 14.778,904 11.079,907 3.428,908 1.379,909 0.906,910 21.572,911 12.472,912 4.337,913 4.828,914 5.341,915 5.814,916 6.351,917 6.678,918 7.029,919 7.316,920 7.61,921 7.583,922 1,923 104,924 23.226,926 9.419,927 0.026,929 7.497,931 46.007,933 37.164,936 1.997,937 123.833,941 953.459,942 239.453,943 70.573,945 83.29,948 239.453,949 1036.75,950 70.573,951 79.427,952 97.327,953 56.857,954 94.373,955 65.332,957 953.459,959 953.459,960 310.026,961 83.29,964 612.097,965 424.651,968 181.654,969 93.698,970 34.674,972 953.459,973 153.862,974 239.453,977 953.459,978 103.169,979 136.284,980 53.787,981 100.075,982 953.459,983 153.862,984 239.453,986 0.566,987 0.361,988 0.173,989 0.077,990 32,991 17,992 0.201,993 30,994 2,995 1.2,996 6.351,997 677.379,998 0.2,999 20,1000 340.631,1005 51.491,1006 25.975,1007 14.177,1008 1.975,1009 153.862,1010 11.836,1011 4.909,1015 5.473,1017 53.787,1018 1346.78,1019 75.5,1024 27.068,1028 -0.252,1031 143.868,1032 166.52,1034 0.19,1035 0.415,1036 0.612,1037 0.679,1038 0.694,1039 0.704,1040 5.596,1041 2.391,1042 6.583,1043 8.37,1044 5.176,1045 5.517,1046 2.953,1047 7.447,1048 5.076,1049 6.779,1050 2.123,1051 8.195,1052 6.754,1053 4.934,1054 5.447,1055 2.254,1056 8.867,1057 4.745,1058 8.107,1059 2.098,1060 9.923,1061 6.024,1062 6.897,1063 7.661,1064 3.389,1065 11.812,1066 6.676,1067 9.477,1068 1.777,1069 11.727,1070 5.979,1071 7.529,1072 8.428,1073 3.298,1074 13.993,1075 7.209,1076 10.881,1077 1.648,1078 13.578,1079 4.548,1080 8.958,1081 10.166,1082 4.21,1083 16.585,1084 8.6,1085 12.307,1086 1.524,1087 15.461,1088 3.539,1089 9.929,1090 11.292,1091 4.462,1092 18.985,1093 9.474,1094 13.748,1095 1.347,1096 17.363,1097 3.329,1098 11.189,1099 12.87,1100 5.26,1101 21.503,1102 10.683,1103 3.312,1104 1.33,1105 19.279,1106 3.315,1107 12.289,1108 14.175,1109 5.701,1110 23.97,1111 11.697,1112 3.311,1113 12.409,1114 21.205,1115 3.019,1116 13.495,1117 15.695,1118 6.429,1119 26.474,1120 12.842,1121 3.311,1122 12.409,1123 23.138,1124 4.564,1125 14.646,1126 17.093,1127 6.966,1128 28.964,1129 13.913,1130 3.227,1131 12.409,1132 25.076,1133 4.139,1134 15.835,1135 18.594,1136 7.653,1137 31.468,1138 15.037,1139 3.099,1140 11.349,1141 27.018,1142 3.438,1143 17.006,1144 20.042,1145 8.237,1146 33.968,1147 16.133,1148 2.615,1149 10.329,1150 28.964,1151 3.326,1152 18.192,1153 21.539,1154 8.901,1155 36.474,1156 17.251,1157 2.532,1158 8.573,1159 30.912,1160 3.311,1161 19.372,1162 23.014,1163 9.509,1164 38.98,1165 18.359,1166 86039,1167 115707,1168 41.89,1169 88.626,1170 92.099,1171 94.865,1172 104.434,1173 92.575,1174 92.444,1175 107.783,1176 18.248,1177 265.766,1178 88.154,1179 5.61,1180 5.683,1181 6.999,1182 5.316,1183 5.312,1184 7.564,1185 3.272,1186 19.94,1187 5.165,1188 39.605,1189 1.417,1190 1.459,1191 1.607,1192 1.424,1193 1.422,1194 1.658,1195 0.281,1196 4.089,1197 1.356,1198 4.127,1199 4.163,1200 4.081,1201 4.044,1202 7.431,1203 4.049,1204 4.01,1205 4.052,1206 3.954,1207 3.878,1208 7.427,1209 3.893,1210 3.889,1211 3.968,1212 3.776,1213 3.703,1214 4.984,1215 3.71,1216 3.887,1217 3.966,1218 3.767,1219 3.675,1220 4.924,1221 3.686,1222 3.874,1223 3.917,1224 3.764,1225 3.673,1226 4.567,1227 3.684,1228 3.766,1229 3.821,1230 3.642,1231 3.65,1232 4.467,1233 3.636,1234 3.732,1235 3.78,1236 3.614,1237 3.617,1238 4.422,1239 3.608,1240 3.568,1241 3.629,1242 3.472,1243 3.334,1244 4.394,1245 3.355,1246 0.071,1247 0.057,1248 0.11,1249 0.065,1250 0.051,1251 4.641,1252 0.07,1253 3.683,1254 0.029,1255 7.172,1256 0.191,1257 4.221,1258 0.049,1259 3.312,1260 4.564,1261 1.886,1262 12.409,1263 3.165,1264 2.069,1265 2.044,1266 2.155,1267 2.161,1268 1.432,1269 2.16,1270 1.906,1271 1.892,1272 2.07,1273 2.097,1274 1.415,1275 2.092,1276 1.842,1277 1.766,1278 2.064,1279 2.08,1280 1.413,1281 2.081,1282 1.841,1283 1.764,1284 2.063,1285 2.079,1286 1.413,1287 2.08,1288 1.822,1289 1.752,1290 2.004,1291 1.998,1292 1.34,1293 1.991,1294 1.754,1295 1.709,1296 1.949,1297 1.926,1298 1.145,1299 1.938,1300 1.751,1301 1.694,1302 1.934,1303 1.872,1304 1.092,1305 1.902,1306 1.491,1307 1.431,1308 1.725,1309 1.755,1310 0.975,1311 1.741,1312 4.875,1314 6.18,1316 7.699,1318 9.31,1320 10.968,1322 20.135,1328 20.741,1329 9.388,1330 19.682,1335 2.878,1340 81.006,1341 199.306,1342 435.846,1343 642.712,1344 712.421,1345 728.686,1346 738.95,1347 226.096,1348 9.044,1349 110.81,1350 110.81,1351 24,1352 13.212,1353 4.322,1354 3.524,1355 148.181,1356 451,1357 454,1358 0.144,1359 503.472,1360 889.93,1361 1220.23,1362 157807,1364 45.014,1365 0.726,1366 0.652,1367 45.014,1368 40.423,1369 30.035,1370 0.462,1371 0.382,1372 24.498,1373 28.768,1374 23.773,1375 19.977,1376 30.035,1377 24.837,1378 24.742,1379 0.281,1380 0.206,1381 24.742,1382 18.149,1383 22.52,1384 0.194,1385 0.134,1386 22.52,1387 15.573,1388 16.753,1389 0.127,1390 0.073,1391 16.753,1392 9.632,1393 11.767,1394 0.075,1395 0.03,1396 11.767,1397 4.697,1398 0.234,1399 187.981,1400 0.155,1401 51.405,1402 0.376,1403 306,1404 712.32,1405 336.6,1406 673.525,1407 931.21,1408 636,1409 357,1410 696.49,1411 390.351,1412 692.204,1413 1018.73,1414 657,1415 7.635}
{0 CHEMBL1203985,1 1.409,2 19.5,3 4.534,4 20.56,5 168.358,6 6.387,7 0.378,8 4.553,9 4.695,10 3.978,11 4.048,12 5.517,13 3.998,14 5.141,15 5.351,16 4.304,17 4.449,18 6.036,19 4.365,20 5.458,21 5.711,22 4.42,23 4.636,24 6.318,25 4.525,26 5.537,27 5.789,28 4.359,29 4.666,30 6.411,31 4.527,32 5.608,33 5.904,34 4.257,35 4.614,36 6.411,37 4.452,38 5.463,39 5.749,40 4.201,41 4.513,42 6.311,43 4.368,44 5.29,45 5.528,46 4.167,47 4.477,48 6.25,49 4.34,50 5.323,51 5.577,52 4.01,53 4.444,54 6.221,55 4.276,56 0.115,57 1.291,58 21.733,59 8.532,60 11.738,61 12.327,62 0.386,63 2.066,64 39.714,65 13.824,66 33.11,67 20.828,68 0.62,69 2.59,70 54.859,71 18.097,72 57.342,73 27.568,74 0.556,75 2.739,76 59.177,77 19.733,78 68.36,79 29.891,80 0.713,81 2.694,82 63.761,83 20.216,84 81.676,85 31.065,86 0.787,87 2.34,88 55.378,89 17.86,90 77.582,91 26.986,92 0.52,93 2.129,94 46.057,95 16.813,96 67.567,97 24.318,98 0.488,99 2.105,100 47.529,101 17.167,102 70.975,103 24.886,104 39,105 60,106 0.211,107 0.507,108 0.718,109 0.812,110 0.831,111 0.831,112 3.764,113 1.063,114 -1.34,115 -1.42,116 -1.48,121 37.8,122 3,123 8,127 6,144 8,145 3,146 2,148 2,160 2,173 1,176 15,180 8,183 2,185 5,187 15,189 3,192 9,194 1,195 1,197 9,200 9,206 7,209 1,211 11,214 10,219 7,222 1,224 9,227 13,229 2,231 1,232 3,235 1,237 3,239 15,241 2,243 1,244 6,247 1,248 1,251 21,253 1,256 4,260 1,264 20,268 1,269 3,271 1,272 1,274 1,276 1,277 13,281 4056,282 28.888,283 28.888,284 28.888,285 28.888,286 28.888,287 26.631,288 31.037,289 17.124,290 29.422,291 21.909,292 21.909,293 21.909,294 21.909,295 21.909,296 18.288,297 27.659,298 7.81,299 22.598,300 5.082,301 3.096,302 1.684,303 1.056,304 0.928,305 0.928,306 4.459,312 1,313 1747,314 5.431,318 537.165,322 423.199,325 3.262,326 35.586,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 89.5,338 819,339 4.641,340 3.681,341 7.172,342 4.22,343 3.311,344 4.564,345 1.886,346 12.409,347 3.165,348 4.312,349 3.572,350 6.83,351 4.208,352 3.227,353 3.767,354 1.2,355 11.349,356 3.008,357 4.187,358 3.557,359 6.029,360 3.822,361 2.822,362 3.438,363 1.058,364 8.588,365 2.818,366 3.915,367 3.35,368 5.982,369 3.524,370 2.532,371 3.312,372 0.86,373 8.37,374 2.512,375 3.724,376 2.862,377 5.389,378 3.399,379 2.401,380 3.065,382 6.858,383 2.4,384 3.672,385 2.666,386 5.313,387 3.346,388 2.389,389 2.924,391 6.754,392 2.26,393 3.488,394 2.314,395 5.021,396 3.089,397 2.121,398 2.783,400 6.023,401 2.046,402 2.949,403 2.045,404 4.233,405 2.761,406 1.783,407 2.141,409 4.058,410 1.742,411 2.937,412 1.855,413 4.116,414 2.515,415 1.527,416 2.013,418 3.374,419 1.507,420 2.693,421 1.623,422 3.902,423 2.458,424 1.478,425 1.684,427 3.329,428 1.435,429 2.599,430 1.514,431 3.767,432 2.345,433 1.347,434 1.628,436 3.248,437 1.343,438 2.5,439 1.449,440 3.704,441 2.242,442 1.247,443 1.5,445 2.902,446 1.24,447 2.488,448 1.426,449 3.594,450 2.152,451 1.209,452 1.487,454 2.657,455 1.132,456 2.278,457 1.35,458 3.557,459 2.05,460 1.063,461 1.267,463 2.516,464 1.044,465 2.178,466 1.242,467 3.414,468 2,469 1,470 1.15,472 2.275,473 1,474 20,475 0.476,476 0.777,477 0.019,478 46,479 1.095,480 20,481 0.476,482 26,483 0.619,484 47.483,485 1.131,486 48.1,487 0.534,488 36.474,489 0.868,490 8.455,491 0.201,492 12.025,493 0.286,494 0.108,495 0.02,496 0.225,501 0.781,502 1.412,503 0.956,504 1.24,505 0.582,506 1.132,507 0.912,508 1.225,509 0.99,510 1.096,511 0.552,512 1.051,513 1.082,514 1.019,515 0.959,516 0.932,517 0.858,518 0.926,519 1.137,520 1.211,521 1.126,522 1.17,523 1.113,524 1.148,525 1.168,526 0.908,527 0.96,528 0.888,529 1.017,530 0.895,531 1.215,532 0.793,533 0.932,534 0.791,535 1.056,536 0.823,537 1.055,538 1.06,539 1.098,540 1.143,541 1.447,542 1.134,543 1.212,544 1.07,545 1.181,546 1.163,547 1.647,548 1.178,549 7.5,550 0.198,551 4.667,552 2.438,553 1.702,554 1.125,555 0.851,556 0.391,557 0.369,558 0.309,559 38187,560 76213,561 2.042,562 53.3,563 10,564 20,567 3,568 4,569 11,572 1.801,573 1.931,574 4.123,575 0.677,582 126.85,583 1.409,584 3.396,585 4.808,586 5.436,587 5.564,588 5.564,589 3.512,590 4.499,591 5.368,592 4.465,593 3844.49,594 9.426,595 81073.2,600 584.267,601 1.38,602 5.327,603 0.167,604 0.006,605 0.078,606 0.037,607 0.029,608 0.022,609 0.017,610 0.008,611 0.009,612 0.009,613 0.381,614 0.33,615 0.75,616 1.279,617 251.943,618 0.032,619 -0.094,620 0.054,621 -0.043,622 0.002,623 -0.001,624 0.046,625 -0.056,626 0.022,627 -0.025,628 0.09,629 -0.007,630 -0.009,631 0.037,632 0.052,633 0.068,634 0.04,635 0.067,636 -0.076,637 -0.168,638 -0.121,639 -0.167,640 -0.065,641 -0.152,642 -0.059,643 0.03,644 0.039,645 0.045,646 -0.053,647 0.054,648 0.003,649 0.15,650 0.079,651 0.156,652 0.008,653 0.133,654 0.015,655 -0.025,656 -0.099,657 -0.096,658 -0.022,659 -0.11,660 -0.117,661 -0.085,662 -0.187,663 -0.138,664 -0.171,665 -0.169,666 1.755,667 5.565,668 0.476,669 64.599,670 0.989,671 1.134,672 0.108,673 0.012,674 0.631,675 3.829,676 4.111,677 4.369,678 4.543,679 4.754,680 4.836,681 4.956,682 5.004,683 5.081,684 5.024,685 11.937,686 0.584,687 574.87,688 3.829,689 5.352,690 6.188,691 7.045,692 7.898,693 8.764,694 9.627,695 10.499,696 11.367,697 12.244,698 5.6,703 1,705 2,708 1,712 1,714 2,715 8,716 1,720 5,722 17,729 1,739 1,741 90,743 19,744 2,745 45,747 93,748 34,749 15,750 4,751 8,752 1,756 4,757 7,763 3,767 4,770 8,772 17,773 17,777 2,782 2,786 2,793 48,794 7,795 3,796 8,802 5,803 1,806 1,807 1,808 0.5,809 3,822 1,829 4,833 2,859 2,864 3,868 42,876 14,877 3,878 1,883 1,893 3.3,896 2,898 1,901 21.75,902 16.617,903 9.722,904 6.426,907 3.292,908 1.394,909 0.946,910 12.183,911 11.639,912 4.034,913 4.554,914 5.092,915 5.609,916 6.174,917 6.463,918 6.808,919 7.079,920 7.381,921 7.282,922 1,923 66,924 15.655,926 6.462,927 0.026,929 7.583,931 30.762,933 25.132,936 2.083,937 87.5,941 529.7,942 168.937,943 70.573,945 61.29,948 168.937,949 590.989,950 70.573,951 26.476,952 71.296,953 75.81,954 94.373,955 32.845,957 529.7,959 529.7,960 239.51,961 61.29,964 400.217,965 190.772,968 102.673,969 102.164,970 34.674,972 529.7,973 131.862,974 168.937,977 529.7,978 66.652,979 102.286,980 53.787,981 78.075,982 529.7,983 131.862,984 168.937,986 0.566,987 0.342,988 0.173,989 0.087,990 24,991 11,992 0.172,993 16,994 2,995 1.2,996 5.349,997 382.73,998 0.2,999 20,1000 210.968,1005 31.938,1006 16.021,1007 8.768,1008 1.996,1009 131.862,1010 15.439,1011 4.854,1015 4.758,1017 53.787,1018 830.499,1019 55.5,1024 25.108,1028 -0.12,1031 88.988,1032 102.047,1034 0.217,1035 0.523,1036 0.741,1037 0.837,1038 0.857,1039 0.857,1040 5.264,1041 1.783,1042 6.163,1043 6.023,1044 4.796,1045 5.242,1046 2.515,1047 6.971,1048 4.738,1049 6.438,1050 1.527,1051 7.727,1052 4.058,1053 4.369,1054 5.056,1055 1.865,1056 8.15,1057 4.255,1058 7.742,1059 1.478,1060 9.406,1061 3.374,1062 6.418,1063 7.399,1064 3.142,1065 11.151,1066 6.285,1067 9.087,1068 1.347,1069 11.159,1070 3.329,1071 6.889,1072 8.082,1073 3.098,1074 13.193,1075 6.682,1076 10.468,1077 1.247,1078 12.964,1079 3.248,1080 8.37,1081 9.91,1082 4.09,1083 15.795,1084 8.142,1085 11.875,1086 1.209,1087 14.803,1088 2.902,1089 9.235,1090 10.995,1091 4.376,1092 18.129,1093 8.931,1094 13.299,1095 1.063,1096 16.668,1097 2.657,1098 10.511,1099 12.627,1100 5.208,1101 20.64,1102 10.175,1103 3.311,1104 1,1105 18.55,1106 2.516,1107 11.551,1108 13.918,1109 5.666,1110 23.075,1111 11.142,1112 3.227,1113 12.409,1114 20.447,1115 2.275,1116 12.754,1117 15.471,1118 6.407,1119 25.569,1120 12.304,1121 2.822,1122 11.349,1123 22.354,1124 4.564,1125 13.871,1126 16.871,1127 6.952,1128 28.041,1129 13.353,1130 2.532,1131 8.588,1132 24.27,1133 3.767,1134 15.053,1135 18.393,1136 7.644,1137 30.534,1138 14.485,1139 2.401,1140 8.37,1141 26.192,1142 3.438,1143 16.204,1144 19.849,1145 8.231,1146 33.022,1147 15.574,1148 2.389,1149 6.858,1150 28.121,1151 3.312,1152 17.381,1153 21.362,1154 8.897,1155 35.518,1156 16.698,1157 2.121,1158 6.754,1159 30.054,1160 3.065,1161 18.548,1162 22.846,1163 9.507,1164 38.014,1165 17.806,1166 36541,1167 51997,1168 29.989,1169 56.762,1170 64.593,1171 66.936,1172 69.497,1173 64.71,1174 64.679,1175 79.633,1176 10.008,1177 179.949,1178 62.947,1179 5.607,1180 5.681,1181 6.999,1182 5.285,1183 5.311,1184 7.564,1185 3.272,1186 19.94,1187 5.165,1188 21.364,1189 1.435,1190 1.487,1191 1.544,1192 1.438,1193 1.437,1194 1.77,1195 0.222,1196 3.999,1197 1.399,1198 4.116,1199 4.148,1200 4.075,1201 4.04,1202 7.431,1203 4.045,1204 3.962,1205 4.009,1206 3.896,1207 3.859,1208 7.427,1209 3.863,1210 3.876,1211 3.93,1212 3.766,1213 3.685,1214 4.977,1215 3.694,1216 3.764,1217 3.82,1218 3.641,1219 3.65,1220 4.834,1221 3.637,1222 3.732,1223 3.78,1224 3.613,1225 3.618,1226 4.421,1227 3.609,1228 3.564,1229 3.627,1230 3.463,1231 3.333,1232 4.398,1233 3.353,1234 3.389,1235 3.447,1236 3.278,1237 3.179,1238 4.298,1239 3.188,1240 3.307,1241 3.407,1242 3.157,1243 3.142,1244 4.257,1245 3.138,1246 0.103,1247 0.082,1248 0.159,1249 0.094,1250 0.074,1251 4.641,1252 0.101,1253 3.681,1254 0.042,1255 7.172,1256 0.276,1257 4.22,1258 0.07,1259 3.311,1260 4.564,1261 1.886,1262 12.409,1263 3.165,1264 2.069,1265 2.044,1266 2.155,1267 2.161,1268 1.432,1269 2.16,1270 1.905,1271 1.883,1272 2.068,1273 2.086,1274 1.414,1275 2.085,1276 1.835,1277 1.761,1278 2.014,1279 2.003,1280 1.34,1281 2.005,1282 1.754,1283 1.709,1284 1.975,1285 1.925,1286 1.145,1287 1.944,1288 1.752,1289 1.694,1290 1.949,1291 1.872,1292 1.083,1293 1.902,1294 1.49,1295 1.429,1296 1.725,1297 1.752,1298 0.974,1299 1.739,1300 1.351,1301 1.277,1302 1.725,1303 1.592,1304 0.886,1305 1.638,1306 1.351,1307 1.256,1308 1.723,1309 1.584,1310 0.869,1311 1.638,1312 4.511,1314 5.802,1316 7.302,1318 8.897,1320 10.544,1322 6.685,1328 12.671,1329 9.115,1330 5.945,1335 1.048,1340 52.578,1341 126.85,1342 305.643,1343 432.744,1344 489.208,1345 500.718,1346 500.718,1347 101.912,1348 8.347,1349 92.35,1350 92.35,1351 24,1352 12.784,1353 4.322,1354 3.524,1355 80.162,1356 313,1357 248,1358 0.12,1359 325.486,1360 570.91,1361 785.947,1362 71503,1364 29.788,1365 0.709,1366 0.612,1367 29.788,1368 25.69,1369 20.481,1370 0.455,1371 0.354,1372 15.77,1373 19.789,1374 15.393,1375 12.859,1376 20.481,1377 15.947,1378 17.201,1379 0.287,1380 0.193,1381 17.201,1382 11.56,1383 15.006,1384 0.192,1385 0.117,1386 15.006,1387 9.13,1388 11.582,1389 0.125,1390 0.064,1391 11.582,1392 5.97,1393 8.841,1394 0.077,1395 0.031,1396 8.841,1397 3.534,1398 0.204,1399 127.424,1400 0.183,1401 39.072,1402 0.294,1403 210,1404 520.183,1405 227.963,1406 501.877,1407 690.31,1408 472,1409 243,1410 511.074,1411 261.494,1412 513.109,1413 749.03,1414 487,1415 8.119}
{0 CHEMBL1203986,1 1.383,2 19.231,3 4.348,4 18.907,5 209.883,6 6.094,7 0.309,8 4.813,9 4.961,10 4.194,11 4.271,12 5.736,13 4.215,14 5.421,15 5.645,16 4.524,17 4.674,18 6.26,19 4.587,20 5.741,21 5.997,22 4.663,23 4.903,24 6.546,25 4.787,26 5.866,27 6.12,28 4.647,29 4.989,30 6.691,31 4.834,32 5.992,33 6.298,34 4.579,35 4.937,36 6.782,37 4.76,38 5.804,39 6.093,40 4.518,41 4.812,42 6.603,43 4.677,44 5.608,45 5.823,46 4.549,47 4.815,48 6.58,49 4.696,50 5.73,51 5.977,52 4.529,53 4.866,54 6.596,55 4.72,56 0.157,57 1.662,58 29.639,59 11.132,60 16.518,61 16.442,62 0.551,63 2.634,64 53.797,65 17.574,66 44.15,67 27.182,68 0.892,69 3.336,70 73.101,71 23.736,72 66.36,73 36.485,74 0.764,75 3.671,76 81.854,77 28.22,78 80.888,79 42.611,80 1.315,81 3.623,82 91.889,83 28.88,84 132.683,85 44.49,86 1.002,87 3.094,88 77.119,89 23.827,90 90.216,91 36.288,92 0.862,93 2.94,94 64.88,95 22.72,96 92.844,97 33.074,98 0.856,99 3.147,100 71.944,101 25.413,102 86.671,103 37.089,104 117,105 74,106 0.197,107 0.451,108 0.654,109 0.727,110 0.741,111 0.741,112 3.972,113 1.112,114 2.15,115 1.89,116 1.49,121 35.6,122 6,123 8,127 11,144 7,145 3,146 3,148 2,160 2,173 1,176 13,180 10,183 2,185 5,187 14,189 6,192 9,194 2,195 1,197 9,200 8,205 1,206 6,209 1,211 9,214 13,218 2,219 11,222 3,224 10,227 13,229 4,232 3,237 3,239 13,241 2,243 1,244 8,246 2,247 1,248 1,251 26,253 2,256 5,258 2,260 1,263 2,264 19,268 1,269 10,272 1,274 1,277 15,281 7900,282 35.62,283 35.62,284 35.62,285 35.62,286 35.62,287 33.39,288 44.636,289 20.708,290 36.555,291 26.537,292 26.537,293 26.537,294 26.537,295 26.537,296 22.841,297 44.577,298 9.187,299 27.737,300 5.499,301 3.705,302 2.281,303 1.768,304 1.67,305 1.67,306 4.663,312 1,313 2094,314 6.481,318 691.763,322 546.731,325 2.858,326 45.546,329 0.75,330 0.33,331 0.67,332 0.8,333 1,334 0.67,335 0.5,336 0.67,337 111,338 1000,339 4.641,340 3.681,341 7.172,342 4.22,343 3.311,344 4.564,345 1.886,346 12.409,347 3.165,348 4.319,349 3.681,350 7.172,351 4.22,352 3.311,353 3.929,354 1.2,355 12.409,356 3.008,357 4.311,358 3.572,359 6.83,360 4.208,361 3.227,362 3.438,363 1.2,364 11.349,365 3.007,366 4.287,367 3.567,368 6.122,369 3.91,370 2.925,371 3.311,372 1.058,373 9.051,374 2.882,375 3.915,376 3.35,377 5.982,378 3.524,379 2.532,380 3.311,381 0.86,382 8.37,383 2.512,384 3.744,385 3.005,386 5.46,387 3.402,388 2.426,389 3.055,390 0.86,391 7.157,392 2.4,393 3.672,394 2.666,395 5.389,396 3.387,397 2.39,398 2.924,400 6.754,401 2.32,402 3.488,403 2.635,404 5.021,405 3.089,406 2.121,407 2.783,409 6.048,410 2.046,411 3.383,412 2.314,413 5.017,414 3.022,415 2.118,416 2.625,418 6.023,419 1.904,420 2.937,421 1.929,422 4.178,423 2.741,424 1.757,425 2.141,427 3.915,428 1.727,429 2.859,430 1.848,431 4.116,432 2.514,433 1.525,434 1.896,436 3.353,437 1.507,438 2.654,439 1.623,440 3.902,441 2.369,442 1.401,443 1.65,445 3.329,446 1.347,447 2.598,448 1.494,449 3.772,450 2.345,451 1.347,452 1.614,454 3.205,455 1.343,456 2.488,457 1.449,458 3.747,459 2.242,460 1.247,461 1.487,463 2.902,464 1.24,465 2.281,466 1.443,467 3.702,468 2.15,469 1.21,470 1.271,472 2.672,473 1.128,474 24.733,475 0.476,476 1.017,477 0.02,478 53,479 1.019,480 20.5,481 0.394,482 32.5,483 0.625,484 71.119,485 1.368,486 61.667,487 0.523,488 46.545,489 0.895,490 9.623,491 0.185,492 15.618,493 0.3,494 0.148,495 0.032,496 0.202,501 0.836,502 1.58,503 1.015,504 1.365,505 0.63,506 1.228,507 1.077,508 1.216,509 1.014,510 1.067,511 0.579,512 1.026,513 1.164,514 0.973,515 1,516 0.915,517 0.871,518 0.928,519 0.936,520 1.28,521 1.106,522 1.272,523 1.025,524 1.217,525 1.065,526 0.879,527 0.881,528 0.866,529 0.878,530 0.856,531 1.603,532 0.753,533 0.933,534 0.716,535 1.279,536 0.747,537 1.397,538 1.165,539 1.227,540 1.208,541 1.874,542 1.21,543 1.207,544 1.066,545 1.132,546 1.153,547 1.663,548 1.145,549 11,550 0.215,551 5.556,552 3.5,553 2.253,554 1.604,555 1.034,556 0.816,557 0.813,558 0.576,559 60613,560 113043,561 1.996,562 55.9,563 10,564 29,567 3,568 4,569 20,572 1.859,573 1.868,574 4.1,575 0.599,582 163.235,583 1.383,584 3.178,585 4.601,586 5.115,587 5.212,588 5.212,589 3.358,590 4.479,591 5.677,592 4.464,593 5919.63,594 10.096,595 141731,600 812.152,601 1.485,602 5.622,603 0.2,604 0.003,605 0.075,606 0.042,607 0.03,608 0.023,609 0.015,610 0.011,611 0.012,612 0.008,613 0.419,614 0.33,615 0.63,616 1.608,617 326.275,618 0.043,619 -0.196,620 0.06,621 -0.099,622 -0.003,623 -0.031,624 0.007,625 -0.022,626 0.044,627 0.012,628 0.1,629 0.032,630 -0.027,631 0.115,632 0.037,633 0.104,634 0.035,635 0.083,636 0.028,637 -0.215,638 -0.101,639 -0.218,640 -0.029,641 -0.18,642 0.111,643 0.024,644 0.113,645 0.06,646 0.077,647 0.084,648 -0.143,649 0.177,650 0.103,651 0.218,652 -0.069,653 0.194,654 -0.027,655 -0.044,656 -0.159,657 -0.109,658 -0.106,659 -0.148,660 -0.012,661 -0.019,662 -0.104,663 -0.096,664 -0.156,665 -0.111,666 1.813,667 6.344,668 0.385,669 88.464,670 0.987,671 1.138,672 -3.382,673 11.441,674 0.616,675 4.025,676 4.317,677 4.575,678 4.727,679 4.913,680 5.017,681 5.159,682 5.252,683 5.361,684 5.308,685 12.321,686 0.566,687 719.14,688 4.025,689 5.557,690 6.395,691 7.258,692 8.112,693 8.982,694 9.843,695 10.718,696 11.585,697 12.463,698 5.1,703 1,705 2,708 1,712 2,714 2,715 7,716 1,720 6,722 17,729 1,739 2,741 118,743 19,744 2,745 55,747 121,748 42,749 15,750 5,751 7,752 1,756 4,757 7,763 6,767 4,770 8,772 17,773 25,777 2,782 2,786 2,793 66,794 8,795 3,796 10,802 6,803 2,806 1,807 2,808 0.5,809 4,822 1,829 4,833 2,859 2,864 6,868 52,876 19,877 3,878 2,883 2,893 3.4,896 2,898 2,901 27.833,902 22.45,903 12.222,904 8.746,907 3.383,908 1.387,909 0.921,910 16.824,911 12.122,912 4.197,913 4.7,914 5.216,915 5.717,916 6.265,917 6.561,918 6.92,919 7.195,920 7.492,921 7.414,922 0.917,923 84,924 19.435,926 7.934,927 0.026,929 7.532,931 38.384,933 31.144,936 2.032,937 105.667,941 741.579,942 204.195,943 70.573,945 72.29,948 204.195,949 813.869,950 70.573,951 52.951,952 84.311,953 66.334,954 94.373,955 49.088,957 741.579,959 741.579,960 274.768,961 72.29,964 506.157,965 307.712,968 142.163,969 97.931,970 34.674,972 741.579,973 142.862,974 204.195,977 741.579,978 84.91,979 119.285,980 53.787,981 89.075,982 741.579,983 142.862,984 204.195,986 0.566,987 0.351,988 0.173,989 0.081,990 28,991 14,992 0.19,993 23,994 2,995 1.2,996 5.894,997 520.153,998 0.2,999 20,1000 251.403,1005 41.687,1006 20.986,1007 11.716,1008 1.985,1009 142.862,1010 13.664,1011 4.882,1015 5.179,1017 53.787,1018 1088.64,1019 65.5,1024 26.132,1028 -0.189,1031 116.428,1032 134.283,1034 0.201,1035 0.462,1036 0.669,1037 0.743,1038 0.757,1039 0.757,1040 5.443,1041 2.121,1042 6.392,1043 6.754,1044 5.004,1045 5.389,1046 2.758,1047 7.228,1048 4.921,1049 6.623,1050 2.118,1051 7.98,1052 6.048,1053 4.691,1054 5.27,1055 2.078,1056 8.549,1057 4.53,1058 7.94,1059 1.757,1060 9.684,1061 6.023,1062 6.681,1063 7.534,1064 3.273,1065 11.508,1066 6.495,1067 9.297,1068 1.525,1069 11.463,1070 3.915,1071 7.245,1072 8.252,1073 3.203,1074 13.639,1075 6.967,1076 10.688,1077 1.401,1078 13.292,1079 3.353,1080 8.692,1081 10.03,1082 4.151,1083 16.233,1084 8.384,1085 12.102,1086 1.347,1087 15.155,1088 3.329,1089 9.619,1090 11.127,1091 4.42,1092 18.616,1093 9.218,1094 13.533,1095 1.247,1096 17.041,1097 3.205,1098 10.884,1099 12.73,1100 5.234,1101 21.132,1102 10.44,1103 3.311,1104 1.21,1105 18.944,1106 2.902,1107 11.961,1108 14.022,1109 5.684,1110 23.593,1111 11.431,1112 3.311,1113 12.409,1114 20.859,1115 2.672,1116 13.165,1117 15.558,1118 6.418,1119 26.097,1120 12.582,1121 3.227,1122 12.409,1123 22.783,1124 4.564,1125 14.303,1126 16.953,1127 6.959,1128 28.585,1129 13.641,1130 2.925,1131 11.349,1132 24.715,1133 3.929,1134 15.49,1135 18.464,1136 7.648,1137 31.088,1138 14.767,1139 2.532,1140 9.051,1141 26.652,1142 3.438,1143 16.654,1144 19.914,1145 8.234,1146 33.587,1147 15.858,1148 2.426,1149 8.37,1150 28.593,1151 3.311,1152 17.837,1153 21.419,1154 8.899,1155 36.093,1156 16.977,1157 2.39,1158 7.157,1159 30.538,1160 3.311,1161 19.013,1162 22.899,1163 9.508,1164 38.597,1165 18.084,1166 58719,1167 80787,1168 35.939,1169 72.694,1170 78.141,1171 80.924,1172 86.823,1173 78.576,1174 78.504,1175 93.615,1176 14.128,1177 222.176,1178 75.495,1179 5.608,1180 5.681,1181 6.998,1182 5.309,1183 5.311,1184 7.564,1185 3.272,1186 19.94,1187 5.165,1188 30.574,1189 1.421,1190 1.471,1191 1.579,1192 1.429,1193 1.427,1194 1.702,1195 0.257,1196 4.04,1197 1.373,1198 4.12,1199 4.154,1200 4.078,1201 4.042,1202 7.431,1203 4.047,1204 3.988,1205 4.033,1206 3.926,1207 3.868,1208 7.427,1209 3.878,1210 3.888,1211 3.967,1212 3.769,1213 3.695,1214 4.979,1215 3.702,1216 3.873,1217 3.922,1218 3.766,1219 3.674,1220 4.886,1221 3.686,1222 3.765,1223 3.821,1224 3.642,1225 3.65,1226 4.536,1227 3.637,1228 3.732,1229 3.78,1230 3.613,1231 3.617,1232 4.421,1233 3.609,1234 3.566,1235 3.628,1236 3.466,1237 3.333,1238 4.385,1239 3.353,1240 3.381,1241 3.443,1242 3.272,1243 3.176,1244 4.298,1245 3.183,1246 0.084,1247 0.067,1248 0.13,1249 0.077,1250 0.06,1251 4.641,1252 0.083,1253 3.681,1254 0.034,1255 7.172,1256 0.226,1257 4.22,1258 0.058,1259 3.311,1260 4.564,1261 1.886,1262 12.409,1263 3.165,1264 2.069,1265 2.044,1266 2.155,1267 2.161,1268 1.432,1269 2.16,1270 1.906,1271 1.888,1272 2.069,1273 2.091,1274 1.414,1275 2.089,1276 1.842,1277 1.765,1278 2.064,1279 2.079,1280 1.413,1281 2.08,1282 1.828,1283 1.756,1284 2.007,1285 2.001,1286 1.34,1287 1.998,1288 1.754,1289 1.709,1290 1.955,1291 1.925,1292 1.145,1293 1.941,1294 1.752,1295 1.694,1296 1.949,1297 1.872,1298 1.087,1299 1.902,1300 1.49,1301 1.43,1302 1.725,1303 1.754,1304 0.974,1305 1.74,1306 1.351,1307 1.278,1308 1.725,1309 1.597,1310 0.896,1311 1.638,1312 4.71,1314 6.009,1316 7.517,1318 9.117,1320 10.766,1322 13.382,1328 16.859,1329 9.258,1330 12.52,1335 1.993,1340 66.792,1341 163.235,1342 375.008,1343 542.938,1344 603.544,1345 615.054,1346 615.054,1347 156.31,1348 8.739,1349 101.58,1350 101.58,1351 24,1352 13.003,1353 4.322,1354 3.524,1355 111.753,1356 388,1357 304,1358 0.131,1359 414.479,1360 730.42,1361 1003.09,1362 113495,1364 37.401,1365 0.719,1366 0.636,1367 37.401,1368 33.057,1369 25.241,1370 0.459,1371 0.371,1372 20.128,1373 24.255,1374 19.574,1375 16.411,1376 25.241,1377 20.386,1378 21.073,1379 0.285,1380 0.201,1381 21.073,1382 14.887,1383 18.623,1384 0.194,1385 0.128,1386 18.623,1387 12.307,1388 14.134,1389 0.126,1390 0.07,1391 14.134,1392 7.802,1393 10.326,1394 0.076,1395 0.03,1396 10.326,1397 4.103,1398 0.217,1399 157.601,1400 0.167,1401 45.472,1402 0.332,1403 258,1404 616.252,1405 282.281,1406 587.935,1407 810.18,1408 554,1409 299,1410 602.782,1411 324.369,1412 602.013,1413 880.77,1414 571,1415 7.801}
{0 CHEMBL1204162,1 1.294,2 14.138,3 5.312,4 28.222,5 122.274,6 6.747,7 0.545,8 4.127,9 4.261,10 3.635,11 3.72,12 5.083,13 3.668,14 4.7,15 4.889,16 3.97,17 4.149,18 5.561,19 4.064,20 5.003,21 5.246,22 3.981,23 4.287,24 5.769,25 4.152,26 5.074,27 5.36,28 3.824,29 4.213,30 5.768,31 4.044,32 4.959,33 5.259,34 3.695,35 4.062,36 5.669,37 3.902,38 4.811,39 5.09,40 3.592,41 3.99,42 5.524,43 3.826,44 4.741,45 5.021,46 3.493,47 3.908,48 5.437,49 3.737,50 4.657,51 4.94,52 3.407,53 3.827,54 5.361,55 3.658,56 0.087,57 0.843,58 12.963,59 5.426,60 10.257,61 7.678,62 0.179,63 1.427,64 23.939,65 9.31,66 17.655,67 13.473,68 0.239,69 1.811,70 33.349,71 12.791,72 24.821,73 18.737,74 0.259,75 1.853,76 36.716,77 13.433,78 27.628,79 20.052,80 0.29,81 1.654,82 33.207,83 11.199,84 30.015,85 17.035,86 0.241,87 1.438,88 28.14,89 10.278,90 23.61,91 15.259,92 0.184,93 1.326,94 26.152,95 9.734,96 20.424,97 14.446,98 0.215,99 1.225,100 24.157,101 8.811,102 21.231,103 13.08,105 45,106 0.211,107 0.516,108 0.69,109 0.79,110 0.841,111 0.849,112 3.407,113 0.982,114 -6.16,115 -6,116 -5.58,121 43.9,123 4,124 1,127 4,144 10,145 4,148 1,149 1,168 1,176 18,180 6,183 1,185 2,187 20,192 9,195 1,197 2,200 12,206 9,211 3,214 8,219 6,224 2,227 9,232 4,235 1,237 2,239 11,244 2,249 2,251 11,255 1,256 1,261 1,264 9,268 1,269 1,274 2,277 9,281 1354,282 20.378,283 20.378,284 20.378,285 20.378,286 20.378,287 18.214,288 25.409,289 12.326,290 20.623,291 16.375,292 16.375,293 16.375,294 16.375,295 16.375,296 13.197,297 37.94,298 5.945,299 16.76,300 4.539,301 2.67,302 1.603,303 0.993,304 0.68,305 0.632,306 4.128,311 1,312 1,313 931,314 2.828,317 56.597,318 346.901,321 217.86,325 2.281,326 12.052,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 60,338 410,339 4.551,340 3.359,341 6.756,342 4.199,343 3.21,344 4.24,345 0.916,346 11.099,347 3.177,348 3.941,349 3.018,350 5.662,351 3.69,352 2.727,353 3.479,354 0.68,355 7.789,356 2.634,357 3.91,358 2.667,359 5.616,360 3.502,361 2.532,362 3.457,363 0.4,364 7.609,365 2.476,366 3.606,367 2.553,368 5.334,369 3.447,370 2.458,371 2.74,372 0.172,373 6.95,374 2.414,375 3.412,376 2.257,377 5.203,378 3.057,379 2.1,380 2.631,382 6.263,383 2.002,384 3.174,385 2.15,386 4.953,387 2.98,388 2.017,389 2.245,391 5.861,392 1.933,393 3.067,394 2.005,395 4.842,396 2.752,397 1.763,398 2.238,400 5.248,401 1.741,402 2.832,403 1.524,404 3.818,405 2.423,406 1.428,407 1.975,409 3.05,410 1.42,411 2.822,412 1.421,413 3.605,414 2.367,415 1.37,416 1.927,418 3.044,419 1.366,420 2.596,421 1.318,422 3.595,423 2.159,424 1.194,425 1.64,427 2.783,428 1.15,429 2.5,430 1.077,431 3.454,432 2.018,433 1.042,434 1.5,436 2.47,437 1.015,438 2.21,439 1.073,440 3.414,441 2,442 1,443 1.191,445 2.275,446 1,447 2,448 1,449 3.247,450 1.984,451 1,452 1,454 2.136,455 0.983,456 1.653,457 0.522,458 3.044,459 1.365,460 0.376,461 0.462,463 0.921,464 0.371,465 1.345,466 0.413,467 2.896,468 1.196,469 0.224,470 0.246,472 0.558,473 0.218,474 14.1,475 0.486,476 0.496,477 0.017,478 36.75,479 1.267,480 18.5,481 0.638,482 18.25,483 0.629,484 24.966,485 0.861,486 30.3,487 0.532,488 23.099,489 0.797,490 6.891,491 0.238,492 7.458,493 0.257,496 0.277,501 0.811,502 1.17,503 0.871,504 1.031,505 0.7,506 0.969,507 1.135,508 1.109,509 1.021,510 1.037,511 0.79,512 1.023,513 1.006,514 1.125,515 1.05,516 1.097,517 0.867,518 1.081,519 1.061,520 1.071,521 0.988,522 1.011,523 0.942,524 0.997,525 1.444,526 0.892,527 0.978,528 0.826,529 1.21,530 0.858,531 1.175,532 0.926,533 1.051,534 0.961,535 1.166,536 0.99,537 1.071,538 1.038,539 1.036,540 1.028,541 1.157,542 1.029,543 1.19,544 0.885,545 1.064,546 0.947,547 1.327,548 0.987,549 4.5,550 0.111,551 2.222,552 1.639,553 0.879,554 0.559,555 0.402,556 0.217,557 0.156,558 0.132,559 14363,560 28215,561 2.237,562 49.1,563 3,564 18,567 1,569 6,572 1.709,573 2.203,574 3.772,575 -0.439,582 73.772,583 1.294,584 3.163,585 4.23,586 4.839,587 5.153,588 5.201,589 3.254,590 4.254,591 4.831,592 3.963,593 1609,594 8.353,595 23580.2,600 332.475,601 0.85,602 4.832,603 0.136,604 0.005,605 0.049,606 0.038,607 0.025,608 0.018,609 0.014,610 0.009,611 0.007,612 0.006,613 0.308,614 0.33,615 0.75,617 152.332,618 0.177,619 -0.012,620 0.08,621 0.012,622 0.214,623 0.034,624 -0.02,625 -0.005,626 -0.049,627 -0.034,628 0.082,629 -0.042,630 0.012,631 -0.112,632 -0.072,633 -0.111,634 0.051,635 -0.1,636 -0.006,637 -0.113,638 0.006,639 -0.049,640 0.047,641 -0.026,642 -0.122,643 0.089,644 0.04,645 0.102,646 -0.062,647 0.087,648 -0.056,649 0.056,650 -0.056,651 -0.001,652 -0.128,653 -0.024,654 -0.057,655 -0.076,656 -0.047,657 -0.059,658 -0.132,659 -0.053,660 -0.067,661 0.093,662 -0.067,663 0.011,664 -0.215,665 -0.021,666 0.752,667 1.497,668 0.862,669 33.153,670 0.983,671 1.122,672 4.927,673 24.271,674 0.669,675 3.526,676 3.829,677 4.111,678 4.394,679 4.635,680 4.663,681 4.82,682 4.949,683 4.913,684 4.99,685 8.288,686 0.621,687 384.57,688 3.526,689 5.056,690 5.905,691 6.774,692 7.639,693 8.515,694 9.388,695 10.27,696 11.148,697 12.034,698 7,701 1,703 1,708 2,715 10,716 2,720 6,722 18,734 1,741 57,743 18,744 2,745 33,747 61,748 25,749 16,750 3,751 9,756 5,757 8,767 3,768 1,770 4,772 16,773 9,774 1,793 28,794 4,795 1,796 4,802 4,808 0.6,821 1,828 1,829 4,832 2,855 1,859 3,868 29,876 8,877 1,880 1,881 1,901 13.167,902 10.017,903 6.333,904 3.718,907 3.247,908 1.398,909 1.023,910 5.382,911 11.398,912 3.761,913 4.311,914 4.858,915 5.424,916 5.965,917 6.132,918 6.548,919 6.938,920 7.09,921 7.352,922 1,923 43,924 10.75,926 4.573,927 0.026,929 7.356,931 21.611,933 18.571,936 1.856,937 53.833,941 317.82,942 131.15,943 54.461,948 131.15,949 317.82,950 54.461,952 18.561,953 94.762,954 51.337,955 18.623,956 2.328,957 317.82,959 317.82,960 185.611,964 247.193,965 70.627,968 24.442,969 109.833,970 51.337,972 317.82,973 54.461,974 131.15,977 317.82,978 36.388,979 97.887,980 18.011,981 33.326,982 317.82,983 54.461,984 131.15,986 0.572,987 0.331,988 0.186,989 0.104,990 23,991 8,992 0.098,993 6,994 2,995 1.16,996 4.419,997 249.148,998 0.16,999 25,1000 132.881,1005 18.481,1006 8.446,1007 4.242,1009 54.461,1010 21.509,1011 8.918,1015 7.276,1017 18.011,1018 503.431,1019 42,1031 56.01,1032 63.976,1034 0.222,1035 0.542,1036 0.725,1037 0.83,1038 0.883,1039 0.892,1040 4.987,1041 1.428,1042 5.855,1043 5.248,1044 4.511,1045 4.997,1046 1.321,1047 6.627,1048 4.467,1049 6.146,1050 1.37,1051 7.376,1052 3.05,1053 3.892,1054 4.543,1055 0.325,1056 7.413,1057 3.821,1058 7.419,1059 1.194,1060 8.996,1061 3.044,1062 6.057,1063 7.09,1064 0.89,1065 10.535,1066 5.973,1067 8.726,1068 1.042,1069 10.679,1070 2.783,1071 6.312,1072 7.506,1073 0.393,1074 12.239,1075 6.21,1076 10.07,1077 1,1078 12.405,1079 2.47,1080 7.886,1081 9.493,1082 0.647,1083 14.861,1084 7.771,1085 11.44,1086 1,1087 14.163,1088 2.275,1089 8.582,1090 10.362,1091 0.384,1092 16.974,1093 8.459,1094 12.833,1095 0.376,1096 15.945,1097 2.136,1098 9.897,1099 12.079,1100 0.496,1101 19.44,1102 9.761,1103 3.21,1104 0.224,1105 17.748,1106 0.921,1107 10.823,1108 13.2,1109 0.351,1110 21.729,1111 10.682,1112 2.727,1113 11.099,1114 19.567,1115 0.558,1116 12.028,1117 14.778,1118 0.395,1119 24.15,1120 11.877,1121 2.532,1122 7.789,1123 21.4,1124 4.24,1125 13.07,1126 16.041,1127 0.312,1128 26.51,1129 12.915,1130 2.458,1131 7.609,1132 23.245,1133 3.479,1134 14.235,1135 17.548,1136 0.323,1137 28.918,1138 14.071,1139 2.1,1140 6.95,1141 25.101,1142 3.457,1143 15.334,1144 18.89,1145 0.273,1146 31.306,1147 15.165,1148 2.017,1149 6.263,1150 26.966,1151 2.74,1152 16.487,1153 20.361,1154 0.269,1155 33.712,1156 16.31,1157 1.763,1158 5.861,1159 28.838,1160 2.631,1161 17.615,1162 21.747,1163 0.236,1164 36.111,1165 17.433,1166 12925,1167 18261,1168 23.345,1169 38.16,1170 49.054,1171 49.042,1172 49.062,1173 48.917,1174 48.877,1175 61.939,1176 4.338,1177 136.112,1178 47.802,1179 5.551,1180 5.359,1181 6.558,1182 5.246,1183 5.21,1184 7.24,1185 1.605,1186 18.144,1187 5.177,1189 1.486,1190 1.486,1191 1.487,1192 1.482,1193 1.481,1194 1.877,1195 0.131,1196 4.125,1197 1.449,1198 4.076,1199 4.108,1200 4.034,1201 4.009,1202 5.055,1203 4.01,1204 3.953,1205 4,1206 3.866,1207 3.868,1208 4.756,1209 3.862,1210 3.829,1211 3.876,1212 3.717,1213 3.727,1214 4.671,1215 3.716,1216 3.683,1217 3.737,1218 3.616,1219 3.554,1220 4.335,1221 3.562,1222 3.449,1223 3.524,1224 3.307,1225 3.273,1226 4.127,1227 3.27,1228 3.199,1229 3.275,1230 3.064,1231 3.037,1232 3.958,1233 3.034,1234 3.111,1235 3.206,1236 2.916,1237 2.941,1238 3.812,1239 2.91,1240 3.066,1241 3.145,1242 2.866,1243 2.914,1244 3.674,1245 2.902,1246 0.138,1247 0.102,1248 0.205,1249 0.127,1250 0.097,1251 4.551,1252 0.128,1253 3.359,1254 0.028,1255 6.756,1256 0.336,1257 4.199,1258 0.096,1259 3.21,1260 4.24,1261 0.916,1262 11.099,1263 3.177,1264 1.934,1265 1.896,1266 2.101,1267 2.07,1268 1.481,1269 2.084,1270 1.892,1271 1.868,1272 2.015,1273 1.984,1274 1.165,1275 1.987,1276 1.845,1277 1.797,1278 1.997,1279 1.953,1280 1.147,1281 1.972,1282 1.767,1283 1.727,1284 1.871,1285 1.912,1286 1.042,1287 1.909,1288 1.449,1289 1.372,1290 1.704,1291 1.665,1292 0.968,1293 1.683,1294 1.185,1295 1.113,1296 1.513,1297 1.401,1298 0.825,1299 1.429,1300 1.153,1301 1.064,1302 1.458,1303 1.376,1304 0.683,1305 1.425,1306 1.085,1307 1.021,1308 1.343,1309 1.285,1310 0.488,1311 1.31,1312 4.205,1314 5.509,1315 2.398,1316 7.013,1317 4.844,1318 8.604,1319 7.05,1320 10.241,1328 9.225,1329 3.512,1332 0.807,1333 2.586,1340 35.407,1341 73.772,1342 180.285,1343 241.116,1344 275.846,1345 293.72,1346 296.475,1347 34.659,1348 8.151,1349 41.05,1350 41.05,1351 29,1352 12.567,1353 4.248,1354 3.322,1355 40.143,1356 148,1357 132,1358 0.13,1359 214.443,1360 366.8,1361 515,1362 48181,1364 19.468,1365 0.671,1366 0.581,1367 19.468,1368 16.849,1369 14.348,1370 0.435,1371 0.327,1372 10.72,1373 14.045,1374 10.486,1375 8.669,1376 14.348,1377 10.8,1378 12.604,1379 0.28,1380 0.186,1381 12.604,1382 8.358,1383 10.856,1384 0.181,1385 0.106,1386 10.856,1387 6.341,1388 9.308,1389 0.116,1390 0.058,1391 9.308,1392 4.668,1393 7.811,1394 0.077,1395 0.033,1396 7.811,1397 3.392,1398 0.215,1399 88.066,1400 0.207,1401 28.535,1402 0.328,1403 156,1404 331.268,1405 163.299,1406 334.947,1407 477.64,1408 318,1409 183,1410 366.265,1411 191.437,1412 376.453,1413 548.53,1414 356,1415 7.131}
{0 CHEMBL1204296,1 1.273,2 14.767,3 6.11,4 37.335,5 128.237,6 6.462,7 0.545,8 4.186,9 4.327,10 3.644,11 3.757,12 5.142,13 3.695,14 4.748,15 4.951,16 3.94,17 4.154,18 5.595,19 4.056,20 5.05,21 5.304,22 3.984,23 4.306,24 5.805,25 4.164,26 5.117,27 5.399,28 3.898,29 4.271,30 5.837,31 4.107,32 5.084,33 5.374,34 3.862,35 4.221,36 5.834,37 4.068,38 5.006,39 5.282,40 3.742,41 4.182,42 5.749,43 4.011,44 4.964,45 5.257,46 3.593,47 4.091,48 5.639,49 3.894,50 4.847,51 5.151,52 3.47,53 3.947,54 5.514,55 3.754,56 0.097,57 0.901,58 14.549,59 5.976,60 11.941,61 8.6,62 0.193,63 1.478,64 26.001,65 9.909,66 19.958,67 14.626,68 0.255,69 1.861,70 35.373,71 13.342,72 27.703,73 19.856,74 0.272,75 1.923,76 38.099,77 13.653,78 30.685,79 20.721,80 0.324,81 1.869,82 37.232,83 12.36,84 35.64,85 19.154,86 0.297,87 1.73,88 34.158,89 12.205,90 31.432,91 18.423,92 0.215,93 1.592,94 32.481,95 12.283,96 26.408,97 18.353,98 0.244,99 1.41,100 29.086,101 10.568,102 25.73,103 15.92,104 3,105 43,106 0.205,107 0.502,108 0.689,109 0.783,110 0.827,111 0.832,112 3.439,113 1.022,114 -6.36,115 -6.19,116 -5.75,121 41.9,122 1,123 4,124 1,127 4,144 11,145 3,148 1,149 1,168 1,176 18,180 6,183 1,185 2,187 18,192 9,195 1,197 2,200 11,206 10,211 3,214 10,219 7,224 2,227 14,232 4,235 1,237 2,239 15,244 2,249 2,251 12,255 1,256 1,261 2,264 9,268 1,269 1,274 2,277 9,281 1532,282 21.007,283 21.007,284 21.007,285 21.007,286 21.007,287 18.844,288 21.771,289 12.875,290 21.253,291 16.292,292 16.292,293 16.292,294 16.292,295 16.292,296 13.131,297 29.117,298 6.099,299 16.677,300 4.681,301 2.84,302 1.679,303 1.093,304 0.819,305 0.786,306 4.144,312 1,313 968,314 2.915,318 457.907,325 2.316,326 12.039,329 0.75,330 0.83,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.78,337 62,338 443,339 4.402,340 3.124,341 6.511,342 4.024,343 3.04,344 4.079,345 0.916,346 10.222,347 2.99,348 3.941,349 3.018,350 5.617,351 3.69,352 2.727,353 3.457,354 0.4,355 7.789,356 2.634,357 3.829,358 2.604,359 5.45,360 3.482,361 2.494,362 3.348,363 0.172,364 7.196,365 2.472,366 3.605,367 2.531,368 5.329,369 3.406,370 2.431,371 2.741,373 6.938,374 2.365,375 3.415,376 2.273,377 5.035,378 3.065,379 2.103,380 2.632,382 5.881,383 2.017,384 3.174,385 2.195,386 4.951,387 2.995,388 2.031,389 2.242,391 5.777,392 1.946,393 2.964,394 1.643,395 4.138,396 2.558,397 1.57,398 2.137,400 3.699,401 1.55,402 2.826,403 1.524,404 3.599,405 2.422,406 1.427,407 1.929,409 3.05,410 1.419,411 2.618,412 1.343,413 3.521,414 2.186,415 1.221,416 1.671,418 2.728,419 1.176,420 2.5,421 1.085,422 3.437,423 2.02,424 1.046,425 1.5,427 2.45,428 1.016,429 2.5,430 1.077,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.207,439 1,440 3.247,441 2,442 1,443 1.188,445 2.136,446 1,447 2,448 1,449 3.247,450 1.984,451 1,452 1,454 2.136,455 0.983,456 1.664,457 0.55,458 2.93,459 1.471,460 0.476,461 0.547,463 0.785,464 0.473,465 1.377,466 0.43,467 2.855,468 1.232,469 0.266,470 0.286,472 0.629,473 0.256,474 14.6,475 0.487,476 0.444,477 0.015,478 36.75,479 1.225,480 18.5,481 0.617,482 18.25,483 0.608,484 27.222,485 0.907,486 32.2,487 0.519,488 24.129,489 0.804,490 6.893,491 0.23,492 7.921,493 0.264,494 0.034,496 0.233,501 0.834,502 1.236,503 0.936,504 1.102,505 0.778,506 1.04,507 1.155,508 1.156,509 1.053,510 1.079,511 0.808,512 1.062,513 1.007,514 1.107,515 1.013,516 1.06,517 0.829,518 1.041,519 1.149,520 1.107,521 1,522 1.017,523 0.985,524 1.001,525 1.586,526 0.935,527 1.034,528 0.862,529 1.319,530 0.899,531 1.376,532 0.969,533 1.154,534 1.016,535 1.356,536 1.059,537 0.951,538 1.035,539 1.024,540 1.046,541 1.097,542 1.041,543 1.088,544 0.878,545 0.988,546 0.913,547 1.184,548 0.937,549 4.5,550 0.111,551 2.222,552 1.313,553 1.058,554 0.646,555 0.501,556 0.241,557 0.176,558 0.124,559 14729,560 28882,561 2.148,562 51.6,563 6,564 19,567 1,569 6,572 1.72,573 2.093,574 3.83,575 -0.448,582 78.949,583 1.273,584 3.115,585 4.275,586 4.861,587 5.136,588 5.168,589 3.273,590 4.282,591 4.878,592 4.011,593 1744.69,594 8.461,595 26405.3,600 369.16,601 0.982,602 4.873,603 0.136,604 0.005,605 0.052,606 0.031,607 0.028,608 0.017,609 0.016,610 0.009,611 0.007,612 0.005,613 0.306,614 0.33,615 0.88,616 0.491,617 159.546,618 0.186,619 -0.035,620 0.068,621 -0.008,622 0.179,623 0.016,625 -0.034,626 -0.047,627 -0.052,628 0.093,629 -0.053,630 0.038,631 -0.084,632 -0.023,633 -0.066,634 0.092,635 -0.052,636 -0.016,637 -0.119,638 -0.005,639 -0.057,640 0.047,641 -0.035,642 -0.168,643 0.08,644 -0.017,645 0.063,646 -0.093,647 0.039,648 -0.151,649 0.045,650 -0.154,651 -0.059,652 -0.233,653 -0.098,654 -0.031,655 -0.09,656 -0.048,657 -0.072,658 -0.119,659 -0.064,660 -0.006,661 0.072,663 0.036,664 -0.125,665 0.022,666 0.77,667 1.516,668 0.8,669 36.809,670 0.98,671 1.126,672 5.131,673 26.326,674 0.656,675 3.526,676 3.784,677 4.025,678 4.248,679 4.466,680 4.407,681 4.5,682 4.554,683 4.595,684 4.644,685 8.52,686 0.604,687 400.62,688 3.526,689 5.03,690 5.855,691 6.698,692 7.536,693 8.385,694 9.228,695 10.079,696 10.925,697 11.778,698 6.5,701 1,703 1,708 2,715 11,716 2,720 5,722 18,734 1,741 62,743 18,744 2,745 33,747 65,748 26,749 16,750 2,751 10,756 4,757 4,763 1,767 2,768 1,770 4,772 16,773 10,774 1,793 32,794 4,795 1,796 4,802 4,808 1,821 1,829 4,855 1,859 4,864 1,868 30,876 8,877 1,880 1,881 1,901 14.333,902 11.1,903 6.806,904 4.141,907 2.882,908 1.379,909 0.984,910 7.232,911 10.481,912 3.761,913 4.27,914 4.785,915 5.301,916 5.812,917 5.841,918 6.169,919 6.427,920 6.635,921 6.831,922 0.9,923 43,924 11.108,926 4.565,927 0.026,929 7.372,931 22.251,933 18.416,936 1.872,937 56.167,941 364.904,942 146.266,943 54.461,948 146.266,949 364.904,950 54.461,951 8.825,952 18.561,953 104.239,954 51.337,955 15.438,956 2.328,957 364.904,959 364.904,960 200.727,964 294.278,965 70.627,968 33.267,969 116.123,970 51.337,972 364.904,973 54.461,974 146.266,977 364.904,978 33.202,979 116.188,980 18.011,981 33.326,982 364.904,983 54.461,984 146.266,986 0.56,987 0.325,988 0.18,989 0.101,990 19,991 7,992 0.123,993 8,995 1,996 4.433,997 248.926,999 24,1000 135.207,1005 20.716,1006 10.474,1007 5.759,1009 54.461,1010 23.298,1011 8.952,1015 5.688,1017 18.011,1018 565.632,1019 42,1031 60.778,1032 69.806,1034 0.214,1035 0.523,1036 0.718,1037 0.816,1038 0.863,1039 0.868,1040 4.959,1041 1.427,1042 5.784,1043 3.699,1044 4.466,1045 4.956,1046 1.038,1047 6.509,1048 4.42,1049 6.1,1050 1.221,1051 7.279,1052 3.05,1053 3.761,1054 4.388,1055 0.325,1056 7.222,1057 3.68,1058 7.353,1059 1.046,1060 8.872,1061 2.728,1062 5.969,1063 7.009,1064 0.697,1065 10.305,1066 5.877,1067 8.64,1068 1,1069 10.529,1070 2.45,1071 6.133,1072 7.305,1073 0.393,1074 11.91,1075 6.011,1076 9.961,1077 1,1078 12.227,1079 2.275,1080 7.731,1081 9.354,1082 0.537,1083 14.476,1084 7.596,1085 11.307,1086 1,1087 13.956,1088 2.136,1089 8.33,1090 10.1,1091 0.384,1092 16.472,1093 8.171,1094 12.672,1095 0.476,1096 15.708,1097 2.136,1098 9.646,1099 11.863,1100 0.438,1101 18.868,1102 9.474,1103 3.04,1104 0.266,1105 17.478,1106 0.785,1107 10.477,1108 12.871,1109 0.351,1110 21.044,1111 10.285,1112 2.727,1113 10.222,1114 19.262,1115 0.629,1116 11.662,1117 14.474,1118 0.366,1119 23.384,1120 11.454,1121 2.494,1122 7.789,1123 21.059,1124 4.079,1125 12.617,1126 15.64,1127 0.312,1128 25.641,1129 12.392,1130 2.431,1131 7.196,1132 22.866,1133 3.457,1134 13.743,1135 17.151,1136 0.309,1137 27.966,1138 13.502,1139 2.103,1140 6.938,1141 24.683,1142 3.348,1143 14.765,1144 18.413,1145 0.273,1146 30.259,1147 14.507,1148 2.031,1149 5.881,1150 26.507,1151 2.741,1152 15.868,1153 19.873,1154 0.262,1155 32.581,1156 15.594,1157 1.57,1158 5.777,1159 28.339,1160 2.632,1161 16.924,1162 21.192,1163 0.236,1164 34.891,1165 16.635,1166 13738,1167 19369,1168 22.94,1169 40.682,1170 47.859,1171 47.765,1172 48.481,1173 47.706,1174 47.665,1175 60.512,1176 2.978,1177 127.379,1178 46.59,1179 5.402,1180 5.124,1181 6.313,1182 5.067,1183 5.04,1184 7.079,1185 1.605,1186 17.01,1187 4.99,1188 7.399,1189 1.45,1190 1.447,1191 1.469,1192 1.446,1193 1.444,1194 1.834,1195 0.09,1196 3.86,1197 1.412,1198 4.014,1199 4.057,1200 3.958,1201 3.927,1202 5.041,1203 3.928,1204 3.941,1205 3.984,1206 3.861,1207 3.862,1208 4.756,1209 3.856,1210 3.829,1211 3.876,1212 3.721,1213 3.728,1214 4.701,1215 3.718,1216 3.748,1217 3.795,1218 3.667,1219 3.643,1220 4.335,1221 3.643,1222 3.488,1223 3.572,1224 3.333,1225 3.297,1226 4.132,1227 3.295,1228 3.326,1229 3.416,1230 3.149,1231 3.133,1232 4.097,1233 3.124,1234 3.15,1235 3.233,1236 2.99,1237 2.986,1238 3.812,1239 2.974,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.674,1245 2.91,1246 0.133,1247 0.095,1248 0.197,1249 0.122,1250 0.092,1251 4.402,1252 0.124,1253 3.124,1254 0.028,1255 6.511,1256 0.31,1257 4.024,1258 0.091,1259 3.04,1260 4.079,1261 0.916,1262 10.222,1263 2.99,1264 1.959,1265 1.93,1266 2.102,1267 2.078,1268 1.481,1269 2.087,1270 1.933,1271 1.896,1272 2.058,1273 2.05,1274 1.203,1275 2.054,1276 1.84,1277 1.791,1278 2.013,1279 1.954,1280 1.162,1281 1.976,1282 1.736,1283 1.693,1284 1.904,1285 1.87,1286 1.025,1287 1.882,1288 1.476,1289 1.395,1290 1.747,1291 1.703,1292 0.995,1293 1.727,1294 1.318,1295 1.235,1296 1.579,1297 1.55,1298 0.825,1299 1.569,1300 1.153,1301 1.078,1302 1.513,1303 1.376,1304 0.703,1305 1.429,1306 1.152,1307 1.064,1308 1.441,1309 1.369,1310 0.627,1311 1.397,1312 4.205,1314 5.476,1316 6.952,1318 8.514,1320 10.119,1322 2.177,1328 9.162,1329 3.509,1332 0.798,1333 2.584,1340 37.461,1341 78.949,1342 193.104,1343 265.067,1344 301.386,1345 318.405,1346 320.405,1347 40.985,1348 7.599,1349 41.05,1350 41.05,1351 24,1352 12.335,1353 4.248,1354 3.322,1355 47.55,1356 157,1357 142,1358 0.145,1359 231.428,1360 396.46,1361 556.445,1362 23965,1364 20.598,1365 0.687,1366 0.598,1367 20.598,1368 17.927,1369 14.814,1370 0.449,1371 0.341,1372 11.157,1373 14.511,1374 10.872,1375 9.072,1376 14.814,1377 11.237,1378 12.467,1379 0.29,1380 0.192,1381 12.467,1382 8.244,1383 10.512,1384 0.191,1385 0.111,1386 10.512,1387 6.116,1388 8.644,1389 0.125,1390 0.062,1391 8.644,1392 4.305,1393 7.167,1394 0.083,1395 0.036,1396 7.167,1397 3.118,1398 0.24,1399 90.859,1400 0.209,1401 29.384,1402 0.367,1403 152,1404 325.268,1405 159.299,1406 329.141,1407 465.43,1408 312,1409 174,1410 353.265,1411 182.437,1412 362.936,1413 523.78,1414 343,1415 7.18}
{0 CHEMBL1204299,1 1.284,2 14.724,3 5.654,4 31.968,5 123.636,6 6.552,7 0.563,8 4.141,9 4.281,10 3.613,11 3.715,12 5.111,13 3.656,14 4.697,15 4.898,16 3.914,17 4.111,18 5.56,19 4.018,20 4.995,21 5.243,22 3.943,23 4.261,24 5.771,25 4.121,26 5.081,27 5.37,28 3.825,29 4.211,30 5.797,31 4.043,32 5.008,33 5.3,34 3.755,35 4.138,36 5.75,37 3.979,38 4.918,39 5.201,40 3.641,41 4.081,42 5.636,43 3.904,44 4.839,45 5.131,46 3.508,47 3.968,48 5.523,49 3.781,50 4.708,51 5.002,52 3.414,53 3.838,54 5.409,55 3.663,56 0.092,57 0.862,58 13.685,59 5.626,60 11.569,61 8.068,62 0.185,63 1.413,64 24.516,65 9.312,66 19.19,67 13.706,68 0.243,69 1.781,70 33.404,71 12.583,72 27.279,73 18.674,74 0.272,75 1.844,76 36.913,77 13.105,78 31.215,79 19.888,80 0.304,81 1.727,82 34.566,83 11.563,84 33.475,85 17.8,86 0.255,87 1.564,88 31.228,89 11.512,90 27.632,91 17.202,92 0.2,93 1.418,94 28.815,95 10.692,96 23.833,97 16.025,98 0.226,99 1.256,100 25.423,101 9.064,102 23.158,103 13.673,104 2,105 42,106 0.209,107 0.503,108 0.675,109 0.775,110 0.822,111 0.828,112 3.407,113 1.001,114 -6.16,115 -6,116 -5.58,121 42.4,122 1,123 3,124 1,127 4,144 11,145 3,148 1,149 1,168 1,176 17,180 6,183 1,185 2,187 17,192 9,195 1,197 2,200 10,206 9,211 3,214 9,219 6,224 1,227 12,232 4,235 1,237 2,239 13,244 2,249 2,251 10,255 1,256 1,261 2,264 8,268 1,269 1,274 2,277 7,281 1405,282 20.137,283 20.137,284 20.137,285 20.137,286 20.137,287 17.921,288 20.558,289 12.35,290 20.383,291 15.854,292 15.854,293 15.854,294 15.854,295 15.854,296 12.705,297 29.117,298 5.942,299 16.24,300 4.598,301 2.791,302 1.73,303 1.115,304 0.826,305 0.792,306 4.111,312 1,313 937,314 2.739,318 441.802,325 2.354,326 11.284,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 60,338 427,339 4.385,340 3.085,341 6.46,342 4,343 3.017,344 4.065,345 0.916,346 9.986,347 2.965,348 3.941,349 3.018,350 5.617,351 3.69,352 2.727,353 3.457,354 0.4,355 7.789,356 2.634,357 3.825,358 2.604,359 5.42,360 3.481,361 2.494,362 3.344,363 0.172,364 7.142,365 2.472,366 3.604,367 2.531,368 5.326,369 3.399,370 2.428,371 2.72,373 6.932,374 2.352,375 3.387,376 2.244,377 4.958,378 3.047,379 2.09,380 2.631,382 5.867,383 1.992,384 3.173,385 2.131,386 4.921,387 2.956,388 1.985,389 2.242,391 5.442,392 1.918,393 2.911,394 1.575,395 4.032,396 2.486,397 1.496,398 2.074,400 3.515,401 1.48,402 2.826,403 1.524,404 3.599,405 2.422,406 1.427,407 1.928,409 3.05,410 1.418,411 2.614,412 1.335,413 3.52,414 2.176,415 1.212,416 1.666,418 2.719,419 1.165,420 2.5,421 1.083,422 3.436,423 2.02,424 1.046,425 1.5,427 2.45,428 1.016,429 2.5,430 1.077,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.206,439 1,440 3.247,441 2,442 1,443 1.187,445 2.136,446 1,447 2,448 1,449 3.247,450 1.984,451 1,452 1,454 2.136,455 0.983,456 1.417,457 0.431,458 2.912,459 1.238,460 0.272,461 0.297,463 0.669,464 0.262,465 1.235,466 0.17,467 2.7,468 0.98,474 14.1,475 0.486,476 0.482,477 0.017,478 36.25,479 1.25,480 18.5,481 0.638,482 17.75,483 0.612,484 25.246,485 0.871,486 30.9,487 0.524,488 23.515,489 0.811,490 6.951,491 0.24,492 7.325,493 0.253,494 0.035,496 0.241,501 0.83,502 1.226,503 0.918,504 1.087,505 0.774,506 1.023,507 1.16,508 1.142,509 1.039,510 1.061,511 0.786,512 1.044,513 1.03,514 1.15,515 1.058,516 1.109,517 0.851,518 1.089,519 1.158,520 1.063,521 0.992,522 0.987,523 0.948,524 0.979,525 1.541,526 0.905,527 1.045,528 0.862,529 1.317,530 0.906,531 1.103,532 0.953,533 1.059,534 0.998,535 1.142,536 1.02,537 1.002,538 1.017,539 1.005,540 1.011,541 1.116,542 1.008,543 1.182,544 0.882,545 1.009,546 0.908,547 1.241,548 0.938,549 4.5,550 0.103,551 2.222,552 1.313,553 1.018,554 0.583,555 0.481,556 0.214,557 0.176,558 0.124,559 13788,560 27585,561 2.154,562 50.8,563 4,564 19,567 1,569 6,572 1.709,573 2.096,574 3.823,575 -0.439,582 75.773,583 1.284,584 3.092,585 4.152,586 4.768,587 5.056,588 5.09,589 3.263,590 4.116,591 4.829,592 4.007,593 1626.76,594 8.355,595 24161.4,600 347.076,601 1,602 4.824,603 0.141,604 0.005,605 0.053,606 0.032,607 0.029,608 0.018,609 0.017,610 0.009,611 0.008,612 0.006,613 0.316,614 0.33,615 0.88,616 0.335,617 153.001,618 0.183,619 -0.036,620 0.069,621 -0.008,622 0.172,623 0.016,624 -0.004,625 -0.025,626 -0.043,627 -0.043,628 0.105,629 -0.045,630 0.017,631 -0.123,632 -0.071,633 -0.117,634 0.074,635 -0.103,636 -0.028,637 -0.091,638 0.003,639 -0.035,640 0.079,641 -0.017,642 -0.184,643 0.097,644 -0.033,645 0.065,646 -0.141,647 0.034,648 -0.046,649 0.022,650 -0.071,651 -0.032,652 -0.133,653 -0.05,654 -0.032,655 -0.07,656 -0.023,657 -0.044,658 -0.12,659 -0.035,660 -0.029,661 0.088,662 -0.013,663 0.04,664 -0.142,665 0.019,666 0.788,667 1.445,668 0.828,669 35.253,670 0.981,671 1.125,672 4.927,673 24.271,674 0.66,675 3.497,676 3.761,677 3.989,678 4.205,679 4.407,680 4.344,681 4.431,682 4.5,683 4.522,684 4.595,685 8.487,686 0.609,687 386.59,688 3.497,689 5.004,690 5.826,691 6.668,692 7.502,693 8.348,694 9.186,695 10.035,696 10.876,697 11.726,698 6.8,701 1,703 1,708 2,715 11,716 2,720 5,722 18,734 1,741 59,743 18,744 2,745 32,747 62,748 25,749 16,750 2,751 10,756 4,757 4,763 1,767 2,768 1,770 3,772 16,773 9,774 1,793 30,794 4,795 1,796 4,802 4,808 1,821 1,829 4,855 1,859 4,864 1,868 29,876 7,877 1,880 1,881 1,901 13.833,902 10.6,903 6.472,904 3.766,907 2.907,908 1.385,909 0.988,910 6.662,911 10.449,912 3.738,913 4.256,914 4.76,915 5.271,916 5.771,917 5.783,918 6.099,919 6.377,920 6.559,921 6.782,922 0.9,923 41,924 10.727,926 4.421,927 0.026,929 7.385,931 21.434,933 17.754,936 1.885,937 54.667,941 341.362,942 143.732,943 54.461,948 143.732,949 341.362,950 54.461,951 8.825,952 16.026,953 104.239,954 51.337,955 15.438,956 2.328,957 341.362,959 341.362,960 198.193,964 270.735,965 70.627,968 30.733,969 116.123,970 51.337,972 341.362,973 54.461,974 143.732,977 341.362,978 30.668,979 116.188,980 18.011,981 33.326,982 341.362,983 54.461,984 143.732,986 0.565,987 0.322,988 0.175,989 0.096,990 19,991 7,992 0.113,993 7,995 1,996 4.379,997 236.579,999 24,1000 126.881,1005 19.757,1006 9.779,1007 5.501,1009 54.461,1010 23.153,1011 8.833,1015 5.528,1017 18.011,1018 539.555,1019 41,1031 57.894,1032 66.391,1034 0.218,1035 0.526,1036 0.706,1037 0.81,1038 0.86,1039 0.865,1040 4.938,1041 1.427,1042 5.759,1043 3.515,1044 4.443,1045 4.942,1046 1.038,1047 6.479,1048 4.396,1049 6.084,1050 1.212,1051 7.252,1052 3.05,1053 3.761,1054 4.388,1055 0.325,1056 7.168,1057 3.68,1058 7.338,1059 1.046,1060 8.843,1061 2.719,1062 5.943,1063 6.996,1064 0.697,1065 10.248,1066 5.848,1067 8.624,1068 1,1069 10.496,1070 2.45,1071 6.111,1072 7.29,1073 0.393,1074 11.818,1075 5.986,1076 9.944,1077 1,1078 12.19,1079 2.275,1080 7.7,1081 9.34,1082 0.537,1083 14.378,1084 7.562,1085 11.288,1086 1,1087 13.914,1088 2.136,1089 8.295,1090 10.078,1091 0.384,1092 16.336,1093 8.131,1094 12.651,1095 0.272,1096 15.659,1097 2.136,1098 9.608,1099 11.844,1100 0.438,1101 18.718,1102 9.43,1103 3.017,1105 17.423,1106 0.669,1107 10.431,1108 12.844,1109 0.351,1110 20.857,1111 10.231,1112 2.727,1113 9.986,1114 19.2,1116 11.612,1117 14.449,1118 0.366,1119 23.178,1120 11.397,1121 2.494,1122 7.789,1123 20.989,1124 4.065,1125 12.558,1126 15.606,1127 0.312,1128 25.402,1129 12.323,1130 2.428,1131 7.142,1132 22.789,1133 3.457,1134 13.679,1135 17.118,1136 0.309,1137 27.705,1138 13.428,1139 2.09,1140 6.932,1141 24.598,1142 3.344,1143 14.691,1144 18.372,1145 0.273,1146 29.969,1147 14.422,1148 1.985,1149 5.867,1150 26.414,1151 2.72,1152 15.787,1153 19.832,1154 0.262,1155 32.267,1156 15.502,1157 1.496,1158 5.442,1159 28.237,1160 2.631,1161 16.835,1162 21.144,1163 0.236,1164 34.549,1165 16.532,1166 12801,1167 18240,1168 22.246,1169 38.921,1170 46.704,1171 46.465,1172 46.871,1173 46.412,1174 46.386,1175 59.221,1176 2.978,1177 124.211,1178 45.313,1179 5.385,1180 5.085,1181 6.262,1182 5.042,1183 5.017,1184 7.065,1185 1.605,1186 16.71,1187 4.965,1188 7.031,1189 1.46,1190 1.452,1191 1.465,1192 1.45,1193 1.45,1194 1.851,1195 0.093,1196 3.882,1197 1.416,1198 4.008,1199 4.052,1200 3.952,1201 3.921,1202 5.044,1203 3.921,1204 3.94,1205 3.982,1206 3.861,1207 3.861,1208 4.756,1209 3.856,1210 3.829,1211 3.876,1212 3.72,1213 3.728,1214 4.701,1215 3.718,1216 3.738,1217 3.787,1218 3.661,1219 3.624,1220 4.335,1221 3.628,1222 3.464,1223 3.544,1224 3.316,1225 3.277,1226 4.129,1227 3.276,1228 3.199,1229 3.284,1230 3.049,1231 3.022,1232 4.037,1233 3.017,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.811,1239 2.91,1240 3.049,1241 3.15,1242 2.856,1243 2.844,1244 3.674,1245 2.834,1246 0.137,1247 0.096,1248 0.202,1249 0.125,1250 0.094,1251 4.385,1252 0.127,1253 3.085,1254 0.029,1255 6.46,1256 0.312,1257 4,1258 0.093,1259 3.017,1260 4.065,1261 0.916,1262 9.986,1263 2.965,1264 1.954,1265 1.925,1266 2.102,1267 2.076,1268 1.481,1269 2.086,1270 1.933,1271 1.896,1272 2.052,1273 2.047,1274 1.167,1275 2.049,1276 1.84,1277 1.79,1278 2.013,1279 1.954,1280 1.144,1281 1.976,1282 1.716,1283 1.673,1284 1.863,1285 1.861,1286 1.007,1287 1.866,1288 1.45,1289 1.372,1290 1.718,1291 1.668,1292 0.908,1293 1.69,1294 1.188,1295 1.112,1296 1.513,1297 1.422,1298 0.825,1299 1.446,1300 1.153,1301 1.064,1302 1.471,1303 1.376,1304 0.682,1305 1.429,1306 1.047,1307 0.953,1308 1.377,1309 1.309,1310 0.46,1311 1.339,1312 4.174,1314 5.451,1316 6.927,1318 8.487,1320 10.087,1322 2.102,1328 8.198,1329 3.475,1332 0.798,1333 2.58,1340 35.934,1341 75.773,1342 182.4,1343 244.983,1344 281.302,1345 298.321,1346 300.321,1347 38.129,1348 7.542,1349 41.05,1350 41.05,1351 24,1352 12.286,1353 4.248,1354 3.322,1355 45.261,1356 151,1357 132,1358 0.143,1359 221.836,1360 379.16,1361 533.04,1362 22632,1364 19.891,1365 0.686,1366 0.594,1367 19.891,1368 17.22,1369 14.276,1370 0.446,1371 0.334,1372 10.596,1373 13.973,1374 10.307,1375 8.599,1376 14.276,1377 10.676,1378 12.276,1379 0.292,1380 0.192,1381 12.276,1382 8.048,1383 10.182,1384 0.192,1385 0.11,1386 10.182,1387 5.847,1388 8.401,1389 0.127,1390 0.063,1391 8.401,1392 4.132,1393 6.774,1394 0.084,1395 0.036,1396 6.774,1397 2.939,1398 0.238,1399 87.631,1400 0.212,1401 28.671,1402 0.36,1403 148,1404 321.268,1405 155.299,1406 325.403,1407 458.73,1408 308,1409 169,1410 347.265,1411 177.437,1412 357.809,1413 514.34,1414 337,1415 7.409}
{0 CHEMBL1206,1 1.333,2 7.364,3 5.088,4 25.89,5 98,6 6.794,7 0.5,8 3.886,9 4.018,10 3.445,11 3.502,12 4.815,13 3.409,14 4.444,15 4.65,16 3.823,17 3.896,18 5.263,19 3.773,20 4.704,21 4.94,22 3.969,23 4.084,24 5.457,25 3.937,26 4.791,27 5.014,28 3.866,29 4.164,30 5.532,31 3.985,32 4.962,33 5.241,34 3.734,35 4.176,36 5.651,37 3.972,38 4.912,39 5.21,40 3.718,41 4.093,42 5.592,43 3.897,44 4.709,45 4.952,46 3.563,47 4.019,48 5.461,49 3.804,50 4.668,51 4.945,52 3.219,53 3.865,54 5.355,55 3.579,56 0.055,57 0.65,58 11.432,59 4.719,60 8.249,61 6.487,62 0.142,63 1.111,64 21.488,65 7.824,66 14.507,67 10.735,68 0.25,69 1.426,70 30.223,71 10.261,72 17.693,73 13.873,74 0.174,75 1.499,76 31.827,77 12.233,78 17.723,79 16.264,80 0.2,81 1.667,82 36.388,83 14.109,84 25.964,85 19.259,86 0.213,87 1.566,88 33.782,89 12.753,90 25.676,91 17.947,92 0.136,93 1.317,94 28.345,95 11.548,96 20.954,97 15.468,98 0.125,99 1.212,100 28.605,101 11.617,102 21.434,103 15.184,104 17,105 33,106 0.232,107 0.486,108 0.627,109 0.74,110 0.755,111 0.755,112 3.148,113 1.117,114 -4.96,115 -4.87,116 -4.56,121 41.3,122 3,127 3,129 1,144 8,146 4,176 6,180 5,187 6,191 1,192 6,200 6,206 2,214 7,219 4,227 8,232 5,239 11,244 2,251 8,264 10,277 4,281 656,282 15.223,283 15.223,284 15.223,285 15.223,286 15.223,287 13.769,288 19.154,289 8.986,290 15.669,291 11.719,292 11.719,293 11.719,294 11.719,295 11.719,296 9.592,297 25.845,298 4.059,299 12.423,300 4.19,301 2.728,302 1.914,303 1.267,304 1.18,305 1.18,306 3.83,311 1,312 1,313 343,314 3.391,318 127.462,322 146.503,325 1,326 6.724,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 45,338 162,339 4.502,340 4.606,341 6.839,342 4.167,343 3.238,344 4.075,345 2.95,346 11.389,347 3.004,348 3.962,349 3.221,350 6.002,351 3.668,352 2.737,353 3.58,354 0.8,355 8.437,356 2.546,357 3.758,358 3.185,359 5.982,360 3.502,361 2.532,362 2.78,363 0.8,364 8.37,365 2.447,366 3.303,367 2.926,368 5.37,369 3.016,370 2.127,371 2.449,373 6.657,374 1.887,375 2.968,376 1.788,377 4.198,378 2.498,379 1.536,380 2.167,382 3.675,383 1.458,384 2.819,385 1.756,386 4.116,387 2.379,388 1.409,389 1.966,391 3.329,392 1.362,393 2.702,394 1.517,395 3.751,396 2.336,397 1.347,398 1.792,400 3.139,401 1.329,402 2.51,403 1.348,404 3.594,405 2.227,406 1.247,407 1.511,409 2.902,410 1.215,411 2.024,412 0.869,413 3.451,414 1.713,415 0.745,416 0.929,418 1.812,419 0.718,420 1.618,421 0.744,422 2.878,423 1.591,424 0.618,425 0.618,427 0.791,428 0.6,429 1.284,430 0.63,431 2.618,432 0.967,433 0.071,434 0.083,436 0.176,437 0.062,438 0.909,439 0.49,440 2.517,441 0.636,442 -0.336,443 -0.344,445 -0.462,446 -0.326,447 0.731,448 -0.221,449 2.404,450 0.491,451 -0.445,452 -0.563,454 -1.091,455 -0.405,456 0.591,457 -0.481,458 2,459 0.318,460 -0.647,461 -0.732,463 -1.622,464 -0.621,465 0.574,466 -0.707,467 2,468 0.107,469 -0.879,470 -1.257,472 -2.123,473 -0.86,474 11.133,475 0.506,476 0.431,477 0.02,478 26.5,479 1.205,480 13,481 0.591,482 13.5,483 0.614,484 20.682,485 0.94,486 23.667,487 0.514,488 16.212,489 0.737,490 4.879,491 0.222,492 5.862,493 0.266,494 0.135,496 0.296,501 0.991,502 1.31,503 0.848,504 1.013,505 1.116,506 1.025,507 1.587,508 1.074,509 0.875,510 0.842,511 0.89,512 0.873,513 1.704,514 0.859,515 1.03,516 0.841,517 0.833,518 0.815,519 1.224,520 1.149,521 1.2,522 1.16,523 0.907,524 1.134,525 0.951,526 0.99,527 0.955,528 0.977,529 0.973,530 0.982,531 0.938,532 0.815,533 0.718,534 0.757,535 0.845,536 0.811,537 0.88,538 1.132,539 1.15,540 1.193,541 1.232,542 1.223,543 0.683,544 1.126,545 1.241,546 1.273,547 1.272,548 1.264,549 3.5,551 2.667,552 1.563,553 1.28,554 0.743,555 0.529,556 0.274,557 0.172,558 0.063,559 4256,560 8280,561 2.07,562 52.2,564 15,569 9,572 1.654,573 1.941,574 2.908,575 -0.851,582 61.334,583 1.333,584 2.795,585 3.61,586 4.257,587 4.344,588 4.344,589 2.191,590 3.607,591 4.432,592 3.028,593 699.398,594 7.66,595 7568.11,597 1,600 254.084,601 1.395,602 4.392,603 0.146,605 0.081,606 0.042,607 0.038,608 0.024,609 0.018,610 0.011,611 0.012,612 0.016,613 0.387,614 0.5,615 1,616 1.517,617 98.526,618 0.136,619 -0.173,620 0.093,621 -0.012,622 -0.059,624 -0.014,625 0.046,626 0.137,627 0.131,628 0.088,629 0.096,630 -0.02,631 0.257,632 0.099,633 0.178,634 0.091,635 0.146,636 -0.136,637 -0.102,638 -0.142,639 -0.128,640 -0.027,641 -0.138,642 -0.024,643 -0.038,644 -0.042,645 -0.038,646 -0.005,647 -0.013,648 0.048,649 0.118,650 0.122,651 0.129,652 0.14,653 0.141,654 -0.136,655 -0.158,656 -0.191,657 -0.197,658 -0.214,659 -0.224,660 -0.11,661 -0.205,662 -0.213,663 -0.238,664 -0.237,665 -0.262,666 0.806,667 0.521,668 0.636,669 14.727,670 0.978,671 1.119,672 3.732,673 13.93,674 0.675,675 3.219,676 3.526,677 3.85,678 4.127,679 4.394,680 4.511,681 4.654,682 4.745,683 4.762,684 4.554,685 4.783,686 0.609,687 312.52,688 3.219,689 4.745,690 5.609,691 6.494,692 7.381,693 8.278,694 9.174,695 10.077,696 10.978,697 11.883,698 4.3,701 1,706 1,715 8,720 4,722 12,736 1,741 46,743 12,744 2,745 24,747 48,748 19,749 12,750 4,751 8,756 3,757 6,763 3,770 1,772 12,773 7,793 24,794 2,796 3,797 1,802 2,808 0.333,829 3,833 2,855 1,859 1,860 1,862 1,864 3,868 22,876 3,879 1,880 1,881 2,901 11.333,902 9.067,903 5.056,904 3.175,907 2.442,908 1.348,909 0.972,910 4.869,911 9.46,912 3.434,913 3.97,914 4.527,915 5.074,916 5.639,917 5.845,918 6.259,919 6.663,920 6.986,921 7.049,922 0.8,923 37,924 8.143,926 3.318,927 0.026,929 7.333,931 16.345,933 13.449,936 1.833,937 40.333,938 0.001,940 1,941 282.506,942 149.437,943 6.249,947 32.22,948 117.218,949 282.506,950 6.249,951 26.476,952 6.317,953 75.81,955 14.864,957 314.726,959 282.506,960 123.466,962 32.22,964 176.567,965 105.94,968 39.041,969 84.425,971 32.22,972 282.506,973 6.249,974 149.437,977 282.506,978 47.152,979 108.534,982 282.506,983 6.249,984 149.437,986 0.568,987 0.356,988 0.199,989 0.104,990 16,991 7,992 0.104,993 5,994 2,995 1.286,996 3.305,997 177.627,998 0.286,999 14,1000 82.107,1001 1,1005 15.604,1006 6.865,1007 3.103,1009 6.249,1010 17.485,1015 5.385,1018 438.192,1019 30,1031 45,1032 51.484,1034 0.241,1035 0.506,1036 0.654,1037 0.771,1038 0.786,1039 0.786,1040 4.663,1041 1.247,1042 5.587,1043 3.139,1044 4.205,1045 4.654,1046 3.012,1047 6.428,1048 4.086,1049 5.833,1050 0.745,1051 7.163,1052 2.902,1053 3.761,1054 4.29,1055 0.57,1056 7.413,1057 3.537,1058 7.123,1059 0.618,1060 8.845,1061 1.812,1062 5.814,1063 6.749,1064 5.033,1065 10.546,1066 5.559,1067 8.449,1068 0.071,1069 10.591,1070 0.791,1071 6.236,1072 7.229,1073 0.479,1074 12.366,1075 5.865,1076 9.811,1077 -0.336,1078 12.377,1079 0.176,1080 7.732,1081 9.154,1082 7.185,1083 15.022,1084 7.333,1085 11.198,1086 -0.445,1087 14.19,1088 -0.462,1089 8.553,1090 10.049,1091 0.346,1092 17.181,1093 8.042,1094 12.605,1095 -0.647,1096 16.021,1097 -1.091,1098 9.83,1099 11.725,1100 9.348,1101 19.683,1102 9.279,1103 3.238,1104 -0.879,1105 17.866,1106 -1.622,1107 10.834,1108 12.841,1109 0.237,1110 21.991,1111 10.18,1112 2.737,1113 11.389,1114 19.722,1115 -2.123,1116 12.029,1117 14.388,1118 11.511,1119 24.442,1120 11.322,1121 2.532,1122 8.437,1123 21.586,1124 4.075,1125 13.118,1126 15.625,1127 0.158,1128 26.817,1129 12.316,1130 2.127,1131 8.37,1132 23.457,1133 3.58,1134 14.286,1135 17.102,1136 13.675,1137 29.252,1138 13.42,1139 1.536,1140 6.657,1141 25.334,1142 2.78,1143 15.414,1144 18.407,1145 0.104,1146 31.658,1147 14.461,1148 1.409,1149 3.675,1150 27.217,1151 2.449,1152 16.575,1153 19.847,1154 15.838,1155 34.089,1156 15.552,1157 1.347,1158 3.329,1159 29.104,1160 2.167,1161 17.723,1162 21.191,1163 0.068,1164 36.508,1165 16.617,1166 4254,1167 6082,1168 16.008,1169 31.035,1170 35.401,1171 37.86,1172 37.365,1173 35.229,1174 35.215,1175 43.898,1176 9.1,1177 101.353,1178 33.259,1179 5.418,1180 6.606,1181 6.524,1182 5.331,1183 5.238,1184 7.075,1185 5.9,1186 18.92,1187 5.004,1188 9.957,1189 1.475,1190 1.578,1191 1.557,1192 1.468,1193 1.467,1194 1.829,1195 0.379,1196 4.223,1197 1.386,1198 4.03,1199 4.058,1200 4.147,1201 3.991,1202 4.825,1203 3.966,1204 3.763,1205 3.835,1206 3.686,1207 3.707,1208 4.615,1209 3.698,1210 3.758,1211 3.788,1212 3.65,1213 3.588,1214 4.348,1215 3.588,1216 3.411,1217 3.495,1218 3.299,1219 3.242,1220 4.008,1221 3.223,1222 3.306,1223 3.407,1224 3.215,1225 3.123,1226 3.892,1227 3.089,1228 3.092,1229 3.175,1230 3.04,1231 3.017,1232 3.805,1233 2.945,1234 2.95,1235 2.982,1236 2.913,1237 2.883,1238 3.732,1239 2.853,1240 2.786,1241 2.856,1242 2.628,1243 2.674,1244 3.583,1245 2.655,1246 0.188,1247 0.192,1248 0.285,1249 0.174,1250 0.135,1251 4.502,1252 0.17,1253 4.606,1254 0.123,1255 6.839,1256 0.475,1257 4.167,1258 0.125,1259 3.238,1260 4.075,1261 2.95,1262 11.389,1263 3.004,1264 1.984,1265 1.965,1266 2.053,1267 2.068,1268 1.3,1269 2.078,1270 1.772,1271 1.744,1272 1.96,1273 1.934,1274 1.167,1275 1.95,1276 1.734,1277 1.662,1278 1.902,1279 1.849,1280 0.978,1281 1.869,1282 1.432,1283 1.35,1284 1.753,1285 1.641,1286 0.953,1287 1.684,1288 1.351,1289 1.256,1290 1.725,1291 1.584,1292 0.869,1293 1.638,1294 1.082,1295 1.015,1296 1.387,1297 1.316,1298 0.527,1299 1.346,1300 0.954,1301 0.922,1302 1.142,1303 1.047,1304 0.279,1305 1.105,1306 0.817,1307 0.754,1308 1.109,1309 1.004,1310 0.235,1311 1.054,1312 3.892,1314 5.198,1316 6.735,1318 8.378,1320 10.078,1322 6.821,1328 3.226,1331 1.878,1332 0.527,1333 5.011,1340 28.025,1341 61.334,1342 128.574,1343 166.045,1344 195.819,1345 199.819,1346 199.819,1347 25.502,1348 7.018,1349 8.17,1350 36.41,1351 18,1352 12.403,1353 3.7,1354 2.807,1355 34.094,1356 60,1357 64,1358 0.276,1359 178,1360 303.05,1361 426.08,1362 9388,1364 15.527,1365 0.706,1366 0.656,1367 15.88,1368 14.437,1369 10.741,1370 0.448,1371 0.372,1372 8.133,1373 10.076,1374 7.751,1375 6.498,1376 11.149,1377 8.933,1378 9.106,1379 0.276,1380 0.206,1381 9.748,1382 6.802,1383 8.139,1384 0.177,1385 0.121,1386 8.948,1387 5.545,1388 6.956,1389 0.114,1390 0.07,1391 7.88,1392 4.3,1393 5.455,1394 0.068,1395 0.036,1396 6.425,1397 2.855,1398 0.411,1399 69.639,1400 0.25,1401 21.05,1402 0.829,1403 114,1404 236.151,1405 144.785,1406 258.304,1407 371.96,1408 246,1409 136,1410 272.729,1411 165.963,1412 294.253,1413 436.42,1414 280,1415 6.523}
{0 CHEMBL12089,1 1.484,2 9.12,3 3.447,4 11.882,5 92.815,6 7.823,7 0.586,8 3.913,9 3.994,10 3.546,11 3.446,12 4.994,13 3.457,14 4.475,15 4.608,16 3.932,17 3.862,18 5.513,19 3.868,20 4.601,21 4.734,22 4.031,23 4.047,24 5.626,25 4.016,26 4.727,27 4.881,28 3.971,29 4.075,30 5.699,31 4.011,32 4.801,33 5.005,34 3.844,35 4.006,36 5.693,37 3.92,38 4.684,39 4.891,40 3.688,41 3.873,42 5.566,43 3.78,44 4.596,45 4.841,46 3.442,47 3.681,48 5.416,49 3.57,50 4.314,51 4.552,52 3.214,53 3.4,54 5.16,55 3.297,56 0.043,57 0.57,58 8.185,59 4.185,60 6.098,61 4.766,62 0.434,63 0.964,64 17.724,65 6.923,66 23.851,67 7.807,68 0.282,69 1.138,70 18.488,71 8.473,72 17.736,73 10.225,74 0.267,75 1.268,76 21.829,77 9.82,78 21.743,79 12.079,80 0.508,81 1.324,82 26.976,83 10.404,84 32.161,85 13.226,86 0.397,87 1.183,88 23.818,89 9.214,90 27.002,91 11.742,92 0.394,93 1.052,94 23.759,95 8.53,96 28.378,97 11.195,98 0.251,99 0.769,100 17.736,101 6.706,102 20.687,103 8.761,104 9,105 43,106 0.256,107 0.575,108 0.76,109 0.834,110 0.85,111 0.874,112 3.269,113 0.868,114 -3.69,115 -3.65,116 -3.48,121 46.5,123 1,126 2,127 1,128 1,144 5,145 4,146 4,147 1,148 1,176 8,179 1,180 4,187 9,189 4,191 1,192 8,200 7,203 3,206 6,208 1,214 7,216 2,219 3,221 2,227 7,229 1,232 4,234 1,239 5,244 7,251 2,256 6,268 1,269 2,281 735,282 17.566,283 17.566,284 17.566,285 17.566,286 17.566,287 15.645,288 20.383,289 9.971,290 18.145,291 14.211,292 14.211,293 14.211,294 14.211,295 14.211,296 10.955,297 21.059,298 4.547,299 14.959,300 3.942,301 2.096,302 1.02,303 0.593,304 0.5,305 0.361,306 3.987,310 1,311 1,312 1,313 518,314 2.646,317 38.929,318 137.863,321 61.757,322 168.527,325 1.574,326 18.027,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 54.5,338 228,339 4.672,340 3.418,341 6.814,342 4.245,343 3.273,344 4.592,345 1.392,346 11.312,347 3.184,348 4.456,349 3.33,350 6.63,351 4.043,352 3.074,353 4.167,354 0.86,355 10.625,356 2.981,357 4.092,358 3.082,359 6.157,360 3.708,361 2.771,362 3.611,363 0.86,364 9.1,365 2.586,366 3.709,367 2.609,368 5.746,369 3.312,370 2.354,371 3.12,372 0.532,373 7.687,374 2.243,375 3.482,376 2.303,377 5.519,378 3.049,379 2.098,380 2.849,382 6.902,383 1.989,384 3.279,385 2.173,386 4.96,387 2.897,388 1.924,389 2.573,391 5.668,392 1.867,393 3.056,394 2.087,395 4.722,396 2.673,397 1.721,398 2.239,400 4.917,401 1.633,402 2.638,403 1.792,404 4.315,405 2.299,406 1.363,407 1.677,409 3.834,410 1.268,411 2.234,412 1.74,413 3.797,414 2.117,415 1.126,416 1.214,418 2.557,419 1.115,420 2.146,421 1.342,422 3.458,423 1.886,424 0.976,425 1.103,427 2.325,428 0.879,429 1.994,430 1.095,431 3.351,432 1.663,433 0.739,434 0.903,436 1.563,437 0.676,438 1.609,439 0.778,440 3.093,441 1.341,442 0.405,443 0.471,445 1.013,446 0.375,447 1.457,448 0.604,449 2.892,450 1.177,451 0.303,452 0.339,454 0.451,455 0.263,456 1.084,457 0.099,458 2.665,459 0.725,460 -0.239,461 -0.303,463 -0.602,464 -0.23,465 0.998,466 -0.036,467 2.612,468 0.616,469 -0.325,470 -0.404,472 -0.658,473 -0.301,474 11.733,475 0.469,476 0.564,477 0.023,478 34.25,479 1.37,480 17,481 0.68,482 17.25,483 0.69,484 19.006,485 0.76,486 26.367,487 0.613,488 24.115,489 0.965,490 6.888,491 0.276,492 5.392,493 0.216,494 0.085,496 0.418,501 0.87,502 1.271,503 0.694,504 1.122,505 0.814,506 0.916,507 1.326,508 0.761,509 0.85,510 0.642,511 1.14,512 0.639,513 0.764,514 1.078,515 0.871,516 1.019,517 0.678,518 0.971,519 0.817,520 1.277,521 1.071,522 1.26,523 0.882,524 1.229,525 0.961,526 0.997,527 1.064,528 1,529 1.053,530 1.046,531 0.961,532 1.071,533 1.118,534 1.096,535 1.047,536 1.129,537 1.009,538 0.855,539 1.024,540 0.916,541 0.992,542 0.956,543 0.945,544 0.961,545 0.928,546 1.021,547 0.911,548 0.986,549 4.5,550 0.091,551 3.333,552 1.694,553 2.253,554 0.813,555 0.582,556 0.295,557 0.225,558 0.127,559 7052,560 18054,561 2.225,562 41.9,564 13,565 2,566 1,569 2,572 1.683,573 2.113,574 3.19,575 -0.79,577 1,579 1,582 63.832,583 1.484,584 3.33,585 4.406,586 4.833,587 4.926,588 5.066,589 2.774,590 4.404,591 4.615,592 3.301,593 990.435,594 7.995,595 11232.5,597 1,599 1,600 233.329,601 1.311,602 4.59,603 0.155,604 0.009,605 0.078,606 0.036,607 0.054,608 0.023,609 0.019,610 0.013,611 0.012,612 0.009,613 0.408,614 0.67,615 0.88,616 0.769,617 117.563,618 -0.028,619 -0.206,620 0.094,621 -0.125,622 -0.023,623 -0.016,624 -0.124,625 0.287,626 0.077,627 0.321,628 -0.064,629 0.259,630 0.02,631 -0.028,632 -0.027,633 -0.029,634 0.081,635 -0.034,636 -0.033,637 -0.265,638 -0.195,639 -0.272,640 -0.085,641 -0.272,642 -0.043,643 -0.013,644 -0.086,645 -0.028,646 -0.126,647 -0.063,648 -0.068,649 -0.081,650 -0.145,651 -0.127,652 -0.141,653 -0.147,654 -0.088,655 0.098,656 0.018,657 0.054,658 -0.03,659 0.063,660 -0.017,661 -0.056,662 0.113,663 -0.03,664 0.088,665 0.051,666 1.201,667 2.096,668 0.84,669 19.136,670 1.01,671 1.113,672 2.457,673 6.038,674 0.681,675 3.401,676 3.784,677 4.174,678 4.522,679 4.836,680 5.03,681 5.273,682 5.517,683 5.707,684 5.799,685 5.386,686 0.659,687 336.39,688 3.401,689 4.977,690 5.883,691 6.804,692 7.724,693 8.649,694 9.575,695 10.502,696 11.429,697 12.358,698 2.3,708 1,714 2,715 6,720 7,721 1,722 17,739 4,741 43,743 17,744 2,745 29,747 47,748 20,749 15,750 8,751 4,756 5,757 15,767 1,770 1,772 15,773 5,789 1,790 1,793 18,794 4,796 5,802 1,803 1,808 0.2,809 4,822 1,828 1,829 4,832 1,833 3,859 1,864 2,868 25,876 3,878 4,893 9.3,898 4,901 11.833,902 8.667,903 5.444,904 2.549,907 3.683,908 1.441,909 1.04,910 3.449,911 12.044,912 3.651,913 4.344,914 5.051,915 5.722,916 6.389,917 6.844,918 7.364,919 7.89,920 8.384,921 8.73,922 1,923 47,924 9.221,926 4.004,927 0.026,929 7.56,931 17.923,933 15.239,936 2.06,937 51.5,940 1,941 211.88,942 124.733,943 1.899,945 44,948 124.733,949 255.879,950 1.899,951 21.766,952 11.29,953 47.381,954 13.67,955 88.295,956 23.542,957 176.567,959 211.88,960 126.632,961 44,964 188.338,965 67.542,968 23.095,969 101.638,970 1.899,972 211.88,973 45.899,974 124.733,977 211.88,978 46.538,979 80.094,981 44,982 211.88,983 45.899,984 124.733,986 0.588,987 0.374,988 0.217,989 0.118,990 25,991 10,992 0.043,993 2,994 4,995 1.381,996 3.654,997 233.582,998 0.381,999 21,1000 116.096,1005 15.139,1006 5.696,1007 2.252,1008 2.171,1009 44,1010 12.576,1015 6.858,1016 2.273,1018 382.511,1019 37.5,1031 43.422,1032 47.865,1034 0.274,1035 0.614,1036 0.812,1037 0.891,1038 0.908,1039 0.934,1040 4.922,1041 1.363,1042 5.889,1043 4.917,1044 4.466,1045 5.03,1046 2.128,1047 6.781,1048 4.377,1049 6.158,1050 1.126,1051 7.494,1052 3.834,1053 4.111,1054 5.007,1056 7.803,1057 3.989,1058 7.505,1059 0.976,1060 9.197,1061 2.557,1062 6.138,1063 7.359,1064 2.384,1065 10.947,1066 5.981,1067 8.891,1068 0.739,1069 10.957,1070 2.325,1071 6.621,1072 8.153,1074 12.77,1075 6.426,1076 10.31,1077 0.405,1078 12.752,1079 1.563,1080 8.101,1081 9.99,1082 2.844,1083 15.428,1084 7.883,1085 11.749,1086 0.303,1087 14.57,1088 1.013,1089 8.96,1090 11.152,1092 17.579,1093 8.707,1094 13.205,1095 -0.239,1096 16.406,1097 0.451,1098 10.233,1099 12.789,1100 3.412,1101 20.071,1102 9.96,1103 3.273,1104 -0.325,1105 18.253,1106 -0.602,1107 11.261,1108 14.128,1110 22.363,1111 10.955,1112 3.074,1113 11.312,1114 20.11,1115 -0.658,1116 12.457,1117 15.683,1118 4.031,1119 24.796,1120 12.13,1121 2.771,1122 10.625,1123 21.975,1124 4.592,1125 13.558,1126 17.108,1128 27.149,1129 13.203,1130 2.354,1131 9.1,1132 23.846,1133 4.167,1134 14.728,1135 18.63,1136 4.673,1137 29.561,1138 14.35,1139 2.098,1140 7.687,1141 25.722,1142 3.611,1143 15.863,1144 20.097,1146 31.943,1147 15.458,1148 1.924,1149 6.902,1150 27.602,1151 3.12,1152 17.026,1153 21.608,1154 5.326,1155 34.35,1156 16.597,1157 1.721,1158 5.668,1159 29.486,1160 2.849,1161 18.177,1162 23.096,1164 36.745,1165 17.721,1166 6489,1167 10482,1168 19.997,1169 29.296,1170 44.028,1171 45.567,1172 45.95,1173 44.166,1174 44.252,1175 57.717,1176 7.286,1177 135.907,1178 42.116,1179 5.556,1180 5.418,1181 6.363,1182 5.293,1183 5.273,1184 7.592,1185 2.783,1186 18.611,1187 5.184,1188 9.087,1189 1.518,1190 1.571,1191 1.584,1192 1.523,1193 1.526,1194 1.99,1195 0.251,1196 4.686,1197 1.452,1198 4.168,1199 4.192,1200 4.134,1201 4.087,1202 5.042,1203 4.095,1204 3.927,1205 3.933,1206 3.891,1207 3.846,1208 4.954,1209 3.853,1210 3.621,1211 3.65,1212 3.555,1213 3.422,1214 4.634,1215 3.448,1216 3.347,1217 3.391,1218 3.226,1219 3.168,1220 4.49,1221 3.172,1222 3.263,1223 3.322,1224 3.119,1225 3.032,1226 4.288,1227 3.046,1228 3.174,1229 3.231,1230 3.006,1231 2.917,1232 4.046,1233 2.925,1234 3.104,1235 3.174,1236 2.926,1237 2.894,1238 3.977,1239 2.893,1240 2.89,1241 2.956,1242 2.716,1243 2.739,1244 3.705,1245 2.724,1246 0.161,1247 0.118,1248 0.235,1249 0.146,1250 0.113,1251 4.672,1252 0.158,1253 3.418,1254 0.048,1255 6.814,1256 0.39,1257 4.245,1258 0.11,1259 3.273,1260 4.592,1261 1.392,1262 11.312,1263 3.184,1264 2.108,1265 2.088,1266 2.175,1267 2.206,1268 1.403,1269 2.198,1270 1.871,1271 1.859,1272 1.957,1273 1.956,1274 1.161,1275 1.955,1276 1.482,1277 1.444,1278 1.649,1279 1.679,1280 0.853,1281 1.667,1282 1.299,1283 1.252,1284 1.587,1285 1.539,1286 0.636,1287 1.552,1288 1.201,1289 1.136,1290 1.575,1291 1.523,1292 0.578,1293 1.539,1294 1.162,1295 1.119,1296 1.445,1297 1.51,1298 0.575,1299 1.485,1300 1.098,1301 1.022,1302 1.395,1303 1.32,1304 0.518,1305 1.353,1306 0.967,1307 0.913,1308 1.175,1309 1.116,1310 0.307,1311 1.138,1312 4.078,1314 5.442,1315 2.398,1316 7.027,1317 4.595,1318 8.717,1319 6.581,1320 10.46,1322 3.339,1328 2.173,1330 22.111,1340 28.358,1341 63.832,1342 143.19,1343 189.455,1344 207.82,1345 211.82,1346 217.82,1347 26.766,1348 8.361,1349 40.8,1350 40.8,1351 29,1352 12.861,1353 4.17,1354 3.248,1355 32.025,1356 83,1357 79,1358 0.2,1359 166.474,1360 286.42,1361 397.957,1362 49516,1364 16.966,1365 0.679,1366 0.569,1367 16.966,1368 14.218,1369 12.28,1370 0.423,1371 0.289,1372 8.207,1373 11.631,1374 7.994,1375 6.587,1376 12.28,1377 8.388,1378 11.061,1379 0.257,1380 0.149,1381 11.061,1382 6.394,1383 10.481,1384 0.164,1385 0.08,1386 10.481,1387 5.134,1388 9.405,1389 0.103,1390 0.043,1391 9.405,1392 3.91,1393 8.031,1394 0.064,1395 0.024,1396 8.031,1397 2.947,1398 0.304,1399 78.299,1400 0.224,1401 23.625,1402 0.582,1403 144,1404 421.275,1405 159.478,1406 390.004,1407 550.12,1408 372,1409 179,1410 415.535,1411 196.006,1412 420.412,1413 626.99,1414 393,1415 6.163}
{0 CHEMBL12131,1 1.836,2 11.633,3 6.727,4 45.254,5 135.43,6 15.07,7 0.563,8 3.878,9 3.95,10 4.068,11 3.697,12 5.145,13 3.6,14 4.337,15 4.434,16 4.579,17 4.131,18 5.572,19 3.993,20 4.628,21 4.74,22 4.812,23 4.322,24 5.922,25 4.156,26 4.73,27 4.882,28 5.385,29 4.376,30 6.103,31 4.135,32 4.676,33 4.843,34 4.855,35 4.152,36 6.077,37 4.039,38 4.587,39 4.733,40 4.399,41 4.12,42 5.938,43 3.957,44 4.476,45 4.631,46 4.538,47 4.08,48 5.753,49 3.889,50 4.483,51 4.658,52 4.745,53 4.099,54 5.757,55 3.823,56 0.08,57 0.478,58 10.983,59 2.42,60 13.414,61 3.17,62 0.14,63 0.774,64 24.891,65 4.664,66 22.386,67 6.311,68 0.232,69 1.086,70 66.904,71 10.353,72 38.65,73 9.154,74 0.539,75 1.273,76 144.275,77 15.129,78 77.784,79 11.083,80 0.366,81 1.241,82 52.955,83 13.11,84 73.727,85 10.4,86 0.481,87 1.053,88 71.167,89 10.866,90 84.119,91 9.302,92 0.281,93 0.953,94 37.872,95 7.118,96 51.57,97 8.509,98 0.474,99 0.99,100 72.95,101 11.516,102 71.481,103 10.279,104 66,105 46,106 0.313,107 0.665,108 0.789,109 0.882,110 0.882,111 0.882,112 3.44,113 1.084,114 -6.83,115 -6.64,116 -6.15,121 50,122 1,124 1,144 8,145 4,146 6,160 2,176 10,180 2,183 1,185 4,187 20,192 3,197 6,200 19,206 5,209 1,210 1,211 2,214 14,219 10,224 5,227 15,232 3,237 3,239 13,244 2,247 1,249 4,251 12,256 1,261 4,264 11,268 1,269 3,274 1,277 10,281 1392,282 19.524,283 19.524,284 19.524,285 19.524,286 19.524,287 16.865,288 21.855,289 11.11,290 20.248,291 15.639,292 15.639,293 15.639,294 15.639,295 15.639,296 11.633,297 23.999,298 5.144,299 17.101,300 3.623,301 1.563,302 0.835,303 0.29,304 0.29,305 0.29,306 4.113,308 2,313 730,314 3.606,318 336.203,325 2.016,326 36.453,329 0.5,330 0.67,331 0.67,332 0.2,334 0.67,335 1,336 0.53,337 62.467,338 349,339 4.49,340 4.214,341 6.683,342 4.133,343 3.158,344 4.157,345 2.825,346 10.773,347 3.077,348 4.435,349 3.637,350 6.578,351 4.036,352 3.081,353 4.094,354 1.058,355 10.272,356 2.942,357 4.117,358 3.379,359 6.07,360 3.733,361 2.761,362 3.672,363 0.487,364 8.755,365 2.678,366 3.819,367 3.132,368 5.606,369 3.367,370 2.444,371 3.208,373 7.213,374 2.223,375 3.658,376 2.983,377 5.469,378 3.196,379 2.275,380 2.967,382 6.699,383 1.973,384 3.485,385 2.83,386 5.021,387 2.984,388 2.092,389 2.744,391 5.924,392 1.78,393 3.419,394 2.619,395 4.971,396 2.876,397 2.065,398 2.717,400 5.73,401 1.519,402 3.27,403 2.597,404 4.612,405 2.607,406 1.663,407 2.24,409 4.717,410 1.462,411 3.02,412 2.022,413 4.354,414 2.319,415 1.389,416 1.91,418 3.824,419 1.205,420 2.76,421 1.947,422 4.056,423 2.131,424 1.167,425 1.722,427 3.02,428 1.048,429 2.5,430 1.559,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.119,439 1.037,440 3.292,441 1.447,442 0.546,443 0.713,445 1.203,446 0.445,447 1.556,448 1,449 2.89,450 1.07,451 0.297,452 0.354,454 0.677,455 0.113,456 1.505,457 0.988,458 2.682,459 0.961,460 0.051,461 0.072,463 0.092,464 0.041,465 1,466 0.428,467 2.643,468 0.576,469 -0.331,470 -0.41,472 -0.842,473 -0.091,474 17.181,475 0.573,476 0.966,477 0.032,478 41.25,479 1.375,480 23.5,481 0.783,482 17.75,483 0.592,484 31.152,485 1.038,486 28.419,487 0.646,488 28.477,489 0.949,490 7.473,491 0.249,492 6.733,493 0.224,494 0.366,496 0.349,501 0.707,502 0.797,503 0.477,504 0.476,505 0.652,506 0.594,507 0.538,508 0.896,509 0.586,510 0.585,511 0.526,512 0.713,513 0.976,514 1.168,515 0.944,516 1.008,517 0.903,518 1.066,519 1.021,520 0.983,521 0.567,522 0.635,523 0.985,524 0.909,525 1.062,526 1.1,527 0.637,528 0.828,529 1.254,530 0.86,531 1.321,532 0.949,533 0.72,534 0.798,535 1.398,536 1.055,537 0.838,538 0.972,539 0.558,540 0.624,541 0.85,542 0.958,543 1.079,544 0.91,545 1.062,546 0.986,547 0.995,548 1.004,549 7.5,550 0.165,551 4.444,552 2.75,553 2.591,554 1.188,555 0.872,556 0.616,557 0.386,558 0.238,559 11030,560 46622,561 1.955,562 31.8,563 3,564 8,567 2,568 1,572 1.729,573 1.765,574 3.48,575 0.243,581 2,582 80.805,583 1.836,584 3.897,585 4.624,586 5.17,587 5.17,588 5.17,589 2.961,590 4.44,591 4.879,592 3.683,593 1601.94,594 8.511,595 22137.4,600 240.215,601 1.566,602 4.796,603 0.234,604 0.008,605 0.097,606 0.054,607 0.054,608 0.026,609 0.022,610 0.017,611 0.012,612 0.01,613 0.534,614 0.17,615 0.75,616 0.836,617 154.08,618 -0.083,619 0.085,620 -0.002,621 0.03,622 -0.07,623 0.048,624 0.079,625 -0.015,626 0.007,627 0.034,628 0.032,629 0.039,630 -0.107,631 -0.227,632 -0.077,633 -0.151,634 -0.078,635 -0.209,636 0.027,637 0.029,638 0.169,639 0.163,640 0.026,641 0.013,642 -0.026,643 -0.084,644 0.04,645 -0.065,646 -0.007,647 0.091,648 -0.186,649 0.017,650 -0.078,651 -0.081,652 -0.207,653 -0.149,654 0.008,655 -0.027,656 0.016,657 0.035,658 -0.026,659 -0.05,660 0.033,661 0.075,662 -0.03,663 0.073,664 -0.019,665 0.093,666 2.106,667 5.746,668 0.6,669 29.227,670 1.016,671 1.092,672 5.605,673 31.416,674 0.865,675 3.497,676 3.85,677 4.111,678 4.344,679 4.564,680 4.533,681 4.595,682 4.644,683 4.673,684 4.736,685 6.931,686 0.772,687 663.08,688 3.497,689 5.056,690 5.911,691 6.799,692 7.672,693 8.559,694 9.439,695 10.326,696 11.208,697 12.095,698 4.5,705 1,707 1,715 8,720 10,722 18,729 1,738 1,740 4,741 44,743 20,744 3,745 32,747 46,748 22,749 18,750 10,751 8,752 1,756 3,757 3,758 2,763 1,771 1,772 19,773 2,774 1,777 1,782 1,786 1,793 14,794 4,795 2,796 8,797 4,798 2,802 2,808 1,809 2,829 3,838 1,859 3,864 1,865 2,867 2,868 30,875 1,877 1,880 1,885 1,889 1,891 1,892 4,893 4.5,895 1,896 1,901 17,902 8.388,903 6.611,904 2.444,907 3.084,908 1.423,909 0.984,910 7.763,911 10.378,912 3.807,913 4.425,914 4.982,915 5.541,916 6.078,917 6.192,918 6.481,919 6.765,920 7.019,921 7.335,922 0.875,923 51,924 11.081,926 4.754,927 0.026,929 7.971,931 20.57,933 16.685,936 2.471,937 74.129,941 141.253,942 245.325,943 49.07,944 78.297,945 67.828,947 113.564,948 131.761,949 287.379,950 49.07,951 8.825,952 18.011,953 75.81,954 89.135,955 56.879,957 254.817,958 78.297,959 141.253,960 180.831,961 67.828,962 78.297,963 113.564,964 141.253,965 67.828,968 57.895,969 122.936,970 78.297,971 113.564,972 141.253,973 116.898,974 210.058,975 113.564,977 141.253,978 30.524,979 198.199,980 34.612,981 177.185,982 141.253,983 116.898,984 210.058,985 113.564,986 0.593,987 0.356,988 0.188,989 0.106,990 21,991 12,992 0.087,993 4,995 1,996 3.924,997 264.648,999 18,1000 143.207,1005 23.442,1006 9.935,1007 5.351,1009 116.898,1010 13.849,1015 5.166,1017 60.694,1018 581.774,1019 44,1024 12.746,1028 -0.439,1031 44.713,1032 48.066,1034 0.336,1035 0.714,1036 0.847,1037 0.947,1038 0.947,1039 0.947,1040 5.066,1041 1.663,1042 5.932,1043 5.73,1044 4.533,1045 5.112,1046 2.936,1047 6.772,1048 4.377,1049 6.315,1050 1.389,1051 7.523,1052 4.717,1053 4.29,1054 5.037,1055 1.63,1056 7.732,1057 3.983,1058 7.644,1059 1.167,1060 9.21,1061 3.824,1062 6.168,1063 7.329,1064 4.749,1065 10.827,1066 5.942,1067 9.002,1068 1,1069 10.949,1070 3.02,1071 6.673,1072 7.988,1073 3.996,1074 12.563,1075 6.352,1076 10.384,1077 0.546,1078 12.721,1079 2.275,1080 8.079,1081 9.804,1082 6.739,1083 15.201,1084 7.803,1085 11.785,1086 0.297,1087 14.516,1088 1.203,1089 8.92,1090 10.813,1091 6.329,1092 17.276,1093 8.583,1094 13.2,1095 0.051,1096 16.328,1097 0.677,1098 10.148,1099 12.425,1100 8.758,1101 19.744,1102 9.826,1103 3.158,1104 -0.331,1105 18.153,1106 0.092,1107 11.145,1108 13.617,1109 8.592,1110 21.972,1111 10.778,1112 3.081,1113 10.773,1114 19.989,1115 -0.842,1116 12.307,1117 15.13,1118 10.785,1119 24.372,1120 11.935,1121 2.761,1122 10.272,1123 21.834,1124 4.157,1125 13.375,1126 16.421,1127 10.807,1128 26.67,1129 12.966,1130 2.444,1131 8.755,1132 23.685,1133 4.094,1134 14.513,1135 17.884,1136 12.817,1137 29.043,1138 14.088,1139 2.275,1140 7.213,1141 25.543,1142 3.672,1143 15.615,1144 19.23,1145 12.99,1146 31.373,1147 15.156,1148 2.092,1149 6.699,1150 27.406,1151 3.208,1152 16.747,1153 20.668,1154 14.854,1155 33.737,1156 16.265,1157 2.065,1158 5.924,1159 29.272,1160 2.967,1161 17.865,1162 22.043,1163 15.151,1164 36.083,1165 17.352,1166 10910,1167 22570,1168 20.115,1169 38.046,1170 49.806,1171 53.119,1172 51.284,1173 48.606,1174 47.977,1175 64.14,1176 8.741,1177 142.35,1178 43.014,1179 5.332,1180 6.214,1181 6.189,1182 5.156,1183 5.158,1184 7.157,1185 5.457,1186 17.919,1187 5.077,1188 20.162,1189 1.556,1190 1.66,1191 1.603,1192 1.519,1193 1.499,1194 2.004,1195 0.273,1196 4.448,1197 1.344,1198 4.033,1199 4.053,1200 10.699,1201 4.122,1202 7.429,1203 3.981,1204 3.915,1205 3.925,1206 10.692,1207 3.969,1208 6.817,1209 3.887,1210 3.835,1211 3.855,1212 4.083,1213 3.797,1214 6.467,1215 3.784,1216 3.426,1217 3.465,1218 3.958,1219 3.645,1220 4.955,1221 3.311,1222 3.267,1223 3.305,1224 3.773,1225 3.346,1226 4.893,1227 3.124,1228 3.138,1229 3.194,1230 3.486,1231 3.242,1232 4.552,1233 2.995,1234 2.945,1235 2.947,1236 3.424,1237 3.02,1238 4.377,1239 2.937,1240 2.854,1241 2.925,1242 3.154,1243 2.758,1244 4.303,1245 2.715,1246 0.14,1247 0.132,1248 0.209,1249 0.129,1250 0.099,1251 4.49,1252 0.13,1253 4.214,1254 0.088,1255 6.683,1256 0.337,1257 4.133,1258 0.096,1259 3.158,1260 4.157,1261 2.825,1262 10.773,1263 3.077,1264 1.991,1265 1.973,1266 2.062,1267 2.057,1268 1.26,1269 2.065,1270 1.892,1271 1.884,1272 1.941,1273 1.951,1274 1.101,1275 1.96,1276 1.829,1277 1.81,1278 1.859,1279 1.881,1280 1.054,1281 1.902,1282 1.375,1283 1.337,1284 1.547,1285 1.527,1286 0.679,1287 1.53,1288 1.193,1289 1.15,1290 1.401,1291 1.426,1292 0.484,1293 1.437,1294 1.106,1295 1.065,1296 1.196,1297 1.282,1298 0.264,1299 1.279,1300 0.886,1301 0.873,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.874,1307 0.821,1308 1.001,1309 1.061,1310 0.099,1311 1.039,1312 4.174,1314 5.517,1316 7.054,1318 8.679,1320 10.351,1322 1.824,1323 12.431,1325 4.072,1327 10.246,1329 2.804,1332 -0.57,1338 9.723,1339 2.279,1340 33.975,1341 80.805,1342 171.46,1343 203.46,1344 227.46,1345 227.46,1346 227.46,1347 80.191,1348 7.294,1349 73.12,1350 73.12,1351 18,1352 12.627,1353 4.392,1354 3.7,1355 55.353,1356 127,1357 126,1358 0.218,1359 237.909,1360 408.26,1361 572.259,1362 13646,1363 9.1,1364 21.999,1365 0.733,1366 0.711,1367 25.999,1368 21.338,1369 14.206,1370 0.444,1371 0.361,1372 8.794,1373 11.99,1374 8.339,1375 6.866,1376 16.515,1377 11.567,1378 13.232,1379 0.288,1380 0.213,1381 16.348,1382 9.792,1383 10.969,1384 0.183,1385 0.109,1386 13.438,1387 6.533,1388 8.813,1389 0.116,1390 0.069,1391 11.794,1392 5.211,1393 7.25,1394 0.076,1395 0.033,1396 9.422,1397 3.14,1398 0.342,1399 120.637,1400 0.223,1401 28.26,1402 0.597,1403 156,1404 485.567,1405 491.923,1406 624.249,1407 792.34,1408 572,1409 184,1410 460.673,1411 321.025,1412 523.086,1413 761.17,1414 490,1415 5.53}
{0 CHEMBL1213295,1 1.494,2 9.739,3 2.071,4 4.289,5 87.112,6 6.987,7 0.24,8 3.885,9 4.006,10 3.396,11 3.417,12 4.907,13 3.384,14 4.487,15 4.677,16 3.75,17 3.832,18 5.479,19 3.765,20 4.818,21 5.055,22 3.883,23 3.993,24 5.82,25 3.915,26 4.863,27 5.099,28 3.692,29 3.893,30 6.037,31 3.789,32 4.676,33 4.927,34 3.437,35 3.681,36 5.763,37 3.565,38 4.487,39 4.728,40 3.243,41 3.56,42 5.487,43 3.424,44 4.431,45 4.713,46 3.331,47 3.454,48 5.621,49 3.331,50 4.275,51 4.539,52 3.267,53 3.394,54 5.211,55 3.3,56 0.002,57 0.644,58 9.787,59 4.332,60 4.928,61 5.874,62 0.246,63 1.078,64 19.458,65 7.257,66 18.2,67 10.385,68 0.223,69 1.343,70 28.504,71 9.86,72 39.846,73 14.144,74 0.523,75 1.292,76 31.053,77 9.586,78 105.414,79 13.57,80 0.485,81 1.022,82 26.181,83 8.29,84 81.272,85 11.476,86 0.263,87 0.886,88 20.997,89 7.202,90 54.754,91 10.088,92 0.467,93 0.845,94 20.277,95 6.375,96 81.393,97 9.722,98 0.122,99 0.757,100 16.714,101 5.635,102 23.293,103 8.33,104 10,105 34,106 0.261,107 0.508,108 0.669,109 0.765,110 0.765,111 0.765,112 3.188,113 1.01,114 -3.66,115 -3.63,116 -3.46,121 40,123 6,127 3,144 4,145 2,160 3,176 10,179 3,180 9,187 8,192 11,200 4,205 1,206 10,214 4,218 2,219 6,227 8,239 6,243 4,244 6,251 2,256 6,269 8,277 4,281 671,282 15.656,283 15.656,284 15.656,285 15.656,286 15.656,287 14.641,288 16.853,289 9.415,290 15.806,291 12.307,292 12.307,293 12.307,294 12.307,295 12.307,296 10.577,297 17.586,298 4.432,299 12.496,300 3.998,301 2.582,302 1.661,303 1.111,304 1.111,305 1.111,306 3.87,310 1,311 1,312 1,313 482,314 3,317 49.767,318 65.484,319 85.876,321 96.981,325 1.361,326 31.446,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 50,338 224,339 4.585,340 3.952,341 6.964,342 4.291,343 3.301,344 4.146,345 1.94,346 11.689,347 3.262,348 3.942,349 3.714,350 6.017,351 3.741,352 2.778,353 3.1,354 1.349,355 8.535,356 2.67,357 3.538,358 3.256,359 5.685,360 3.204,361 2.239,362 2.811,363 0.8,364 7.257,365 2.154,366 3.441,367 2.435,368 5.491,369 3.066,370 2.026,371 2.65,372 0.555,373 6.426,374 2.093,375 2.975,376 2.375,377 4.312,378 2.874,379 1.869,380 1.99,382 4.274,383 1.873,384 2.819,385 1.931,386 3.748,387 2.491,388 1.5,389 1.915,391 3.22,392 1.484,393 2.48,394 1.584,395 3.636,396 2.323,397 1.336,398 1.457,400 2.993,401 1.314,402 2.472,403 1.35,404 3.618,405 2.237,406 1.247,407 1.387,409 2.606,410 1.233,411 2.26,412 1.298,413 3.435,414 1.981,415 0.96,416 1.247,418 2.21,419 0.971,420 2.247,421 1.261,422 3.414,423 1.942,424 0.914,425 1.127,427 2.2,428 0.934,429 1.654,430 1.253,431 2.866,432 1.267,433 0.219,434 0.275,436 0.508,437 0.225,438 0.926,439 0.362,440 2.369,441 0.751,442 -0.252,443 -0.266,445 -0.545,446 -0.252,447 0.842,448 -0.03,449 2.343,450 0.521,451 -0.445,452 -0.445,454 -1,455 -0.428,456 0.747,457 -0.062,458 2,459 0.476,460 -0.585,461 -0.721,463 -1.311,464 -0.606,465 0.601,466 -0.287,467 2,468 0.463,469 -0.585,470 -0.833,472 -1.379,473 -0.612,474 10.8,475 0.47,476 0.49,477 0.021,478 25.25,479 1.098,480 10.5,481 0.457,482 14.75,483 0.641,484 20.311,485 0.883,486 25.8,487 0.573,488 17.667,489 0.768,490 4.621,491 0.201,492 6.561,493 0.285,494 0.093,496 0.306,501 0.575,502 1.465,503 0.809,504 1.216,505 0.464,506 1.075,507 0.551,508 1.166,509 0.91,510 1.082,511 0.487,512 1.051,513 0.864,514 1.037,515 0.828,516 0.981,517 0.772,518 0.901,519 1.365,520 1.018,521 1.169,522 1.029,523 1.296,524 1.055,525 1.436,526 0.764,527 1.096,528 0.853,529 1.572,530 0.916,531 1.204,532 1.103,533 1.132,534 1.095,535 1.283,536 1.113,537 0.385,538 0.864,539 0.682,540 0.816,541 0.342,542 0.795,543 0.695,544 1.002,545 0.713,546 0.92,547 0.595,548 0.824,549 3,550 0.08,551 2.889,552 2.611,553 0.737,554 0.445,555 0.248,556 0.288,557 0.247,558 0.16,559 5933,560 14199,561 2.067,562 48.9,563 4,564 10,568 2,569 6,572 1.653,573 1.944,574 3.262,575 -0.772,576 1,577 1,579 1,582 67.212,583 1.494,584 2.91,585 3.831,586 4.381,587 4.381,588 4.381,589 2.632,590 3.741,591 4.501,592 3.431,593 868.118,594 7.724,595 10142,597 1,599 1,600 247.133,601 1.371,602 4.458,603 0.12,604 0.005,605 0.085,606 0.069,607 0.026,608 0.02,609 0.014,610 0.014,611 0.012,612 0.008,613 0.374,614 0.5,615 1,616 0.58,617 108.604,618 -0.001,619 -0.22,620 0.055,621 -0.069,622 0.015,623 -0.013,624 0.152,625 -0.007,626 0.007,627 -0.047,628 0.051,629 -0.048,630 -0.006,631 -0.022,632 0.135,633 0.004,634 0.025,635 0.086,636 -0.102,637 -0.056,638 -0.148,639 -0.097,640 -0.003,641 -0.121,642 -0.123,643 0.139,644 -0.062,645 0.08,646 -0.161,647 0.025,648 -0.14,649 -0.179,650 -0.146,651 -0.117,652 -0.138,653 -0.136,654 0.468,655 0.071,656 0.307,657 0.109,658 0.419,659 0.171,660 0.062,661 -0.028,662 0.25,663 0.043,664 0.071,665 0.164,666 1.909,667 5.244,668 0.696,669 17.108,670 1,671 1.128,672 2.431,673 5.908,674 0.644,675 3.258,676 3.555,677 3.85,678 4.078,679 4.205,680 4.205,681 4.19,682 4.22,683 4.127,684 4.111,685 6.021,686 0.61,687 314.42,688 3.258,689 4.779,690 5.631,691 6.5,692 7.371,693 8.249,694 9.129,695 10.014,696 10.9,697 11.79,698 4.4,705 2,715 4,720 2,722 6,741 45,743 9,744 1,745 25,747 47,748 18,749 6,750 2,751 4,752 2,756 3,757 4,767 4,770 6,772 9,773 9,777 3,782 3,786 3,789 1,790 1,793 22,794 5,796 5,802 2,805 1,808 0.667,809 3,828 1,829 1,830 1,832 1,844 1,859 2,868 23,876 9,881 2,893 6.7,896 3,901 11.833,902 7.983,903 5.167,904 3.138,907 1.374,908 1.2,909 0.962,910 4.995,911 8.232,912 3.466,913 3.922,914 4.428,915 4.874,916 5.254,917 5.303,918 5.538,919 5.602,920 5.627,921 5.355,922 1,923 38,924 8.646,926 3.764,927 0.026,929 7.884,931 16.598,933 13.948,936 2.384,937 54.833,941 258.964,942 79.914,943 6.249,945 75.435,948 79.914,949 334.399,950 6.249,952 27.773,953 37.905,954 89.549,955 6.371,957 258.964,959 258.964,960 86.163,961 75.435,964 188.338,965 146.061,968 27.773,969 58.39,972 258.964,973 81.683,974 79.914,977 258.964,978 42.009,979 44.154,981 75.435,982 258.964,983 81.683,984 79.914,986 0.573,987 0.349,988 0.19,989 0.095,990 16,991 7,992 0.085,993 4,994 1,995 1.125,996 3.563,997 177.749,998 0.125,999 16,1000 88.042,1005 16.042,1006 7.161,1007 3.413,1009 81.683,1010 6.878,1015 0.938,1018 420.562,1019 31,1024 36.723,1028 -0.343,1031 45.022,1032 50.777,1034 0.272,1035 0.53,1036 0.698,1037 0.798,1038 0.798,1039 0.798,1040 4.705,1041 1.247,1042 5.602,1043 2.993,1044 4.234,1045 4.605,1046 2.525,1047 6.422,1048 4.208,1049 5.856,1050 0.96,1051 7.169,1052 2.606,1053 3.761,1054 4.331,1055 1.738,1056 7.383,1057 3.718,1058 7.14,1059 0.914,1060 8.85,1061 2.21,1062 5.82,1063 6.618,1064 3.26,1065 10.537,1066 5.752,1067 8.464,1068 0.219,1069 10.598,1070 2.2,1071 6.256,1072 7.242,1073 3.195,1074 12.399,1075 6.172,1076 9.831,1077 -0.252,1078 12.391,1079 0.508,1080 7.751,1081 9.009,1082 4.281,1083 15.072,1084 7.646,1085 11.229,1086 -0.445,1087 14.215,1088 -0.545,1089 8.613,1090 10.048,1091 4.581,1092 17.291,1093 8.496,1094 12.652,1095 -0.585,1096 16.059,1097 -1,1098 9.896,1099 11.62,1100 5.453,1101 19.815,1102 9.762,1103 3.301,1104 -0.585,1105 17.92,1106 -1.311,1107 10.945,1108 12.854,1109 5.936,1110 22.177,1111 10.802,1112 2.778,1113 11.689,1114 19.793,1115 -1.379,1116 12.155,1117 14.346,1118 6.703,1119 24.654,1120 11.999,1121 2.239,1122 8.535,1123 21.677,1124 4.146,1125 13.282,1126 15.673,1127 7.276,1128 27.073,1129 13.117,1130 2.026,1131 7.257,1132 23.569,1133 3.1,1134 14.47,1135 17.13,1136 7.992,1137 29.536,1138 14.295,1139 1.869,1140 6.426,1141 25.468,1142 2.811,1143 15.63,1144 18.503,1145 8.609,1146 31.978,1147 15.446,1148 1.5,1149 4.274,1150 27.373,1151 2.65,1152 16.814,1153 19.943,1154 9.299,1155 34.436,1156 16.62,1157 1.336,1158 3.22,1159 29.284,1160 1.99,1161 17.989,1162 21.34,1163 9.939,1164 36.888,1165 17.786,1166 5727,1167 9026,1168 16.701,1169 28.989,1170 37.544,1171 39.774,1172 38.531,1173 36.833,1174 36.778,1175 44.21,1176 9.29,1177 103.836,1178 36.427,1179 5.578,1180 5.952,1181 6.757,1182 5.331,1183 5.301,1184 7.146,1185 3.348,1186 18.826,1187 5.262,1188 10.018,1189 1.502,1190 1.591,1191 1.541,1192 1.473,1193 1.471,1194 1.768,1195 0.372,1196 4.153,1197 1.457,1198 4.024,1199 4.046,1200 3.988,1201 3.929,1202 7.447,1203 3.938,1204 3.867,1205 3.926,1206 3.753,1207 3.712,1208 7.427,1209 3.709,1210 3.646,1211 3.704,1212 3.507,1213 3.504,1214 7.408,1215 3.496,1216 3.427,1217 3.47,1218 3.343,1219 3.219,1220 4.688,1221 3.247,1222 3.278,1223 3.364,1224 3.057,1225 3.125,1226 4.277,1227 3.097,1228 3.201,1229 3.269,1230 3.046,1231 2.997,1232 4.041,1233 3,1234 3.014,1235 3.021,1236 2.973,1237 2.843,1238 3.705,1239 2.858,1240 2.905,1241 2.972,1242 2.718,1243 2.688,1244 3.654,1245 2.681,1246 0.183,1247 0.158,1248 0.279,1249 0.172,1250 0.132,1251 4.585,1252 0.166,1253 3.952,1254 0.078,1255 6.964,1256 0.468,1257 4.291,1258 0.13,1259 3.301,1260 4.146,1261 1.94,1262 11.689,1263 3.262,1264 1.887,1265 1.868,1266 1.986,1267 1.959,1268 1.336,1269 1.968,1270 1.738,1271 1.683,1272 1.975,1273 1.95,1274 1.257,1275 1.948,1276 1.712,1277 1.647,1278 1.943,1279 1.873,1280 1.153,1281 1.912,1282 1.576,1283 1.508,1284 1.823,1285 1.805,1286 1.085,1287 1.807,1288 1.292,1289 1.258,1290 1.452,1291 1.546,1292 0.638,1293 1.518,1294 1.007,1295 0.994,1296 1.253,1297 1.211,1298 0.528,1299 1.205,1300 0.951,1301 0.901,1302 1.205,1303 1.198,1304 0.335,1305 1.168,1306 0.819,1307 0.708,1308 1.133,1309 1.09,1310 0.253,1311 1.153,1312 3.932,1314 5.231,1315 2.398,1316 6.723,1317 5.043,1318 8.307,1319 7.298,1320 9.944,1328 7.448,1333 3.19,1340 27.455,1341 67.212,1342 130.955,1343 172.404,1344 197.133,1345 197.133,1346 197.133,1347 53.833,1348 6.859,1349 59.38,1350 59.38,1351 18,1352 12.32,1353 3.322,1354 2.807,1355 37.051,1356 85,1357 66,1358 0.215,1359 169.265,1360 304.51,1361 404.767,1362 8593,1364 16.234,1365 0.706,1366 0.578,1367 16.234,1368 13.293,1369 11.182,1370 0.447,1371 0.337,1372 8.317,1373 10.793,1374 8.187,1375 6.749,1376 11.182,1377 8.413,1378 9.654,1379 0.284,1380 0.183,1381 9.654,1382 6.206,1383 8.478,1384 0.184,1385 0.1,1386 8.478,1387 4.609,1388 6.925,1389 0.119,1390 0.057,1391 6.925,1392 3.309,1393 5.214,1394 0.079,1395 0.034,1396 5.214,1397 2.268,1398 0.341,1399 69.934,1400 0.245,1401 22.775,1402 0.578,1403 118,1404 352.497,1405 129.805,1406 333.496,1407 443.86,1408 310,1409 139,1410 314.247,1411 151.473,1412 314.039,1413 464.77,1414 297,1415 6.301}
{0 CHEMBL121810,1 1.49,2 10.964,3 4.715,4 22.234,5 109.435,6 6.937,7 0.387,8 4.103,9 4.225,10 3.62,11 3.6,12 5.133,13 3.577,14 4.678,15 4.863,16 4.028,17 4.021,18 5.685,19 3.984,20 4.94,21 5.123,22 4.138,23 4.226,24 5.891,25 4.166,26 5.107,27 5.331,28 4.07,29 4.265,30 6.032,31 4.165,32 5.102,33 5.357,34 3.941,35 4.152,36 6.049,37 4.039,38 4.967,39 5.225,40 3.712,41 3.953,42 5.916,43 3.83,44 4.69,45 4.944,46 3.601,47 3.753,48 5.668,49 3.658,50 4.486,51 4.689,52 3.542,53 3.704,54 5.607,55 3.616,56 0.07,57 0.794,58 12.562,59 5.157,60 9.712,61 7.046,62 0.426,63 1.291,64 24.111,65 8.456,66 36.489,67 11.997,68 0.299,69 1.612,70 31.431,71 11.422,72 33.273,73 15.627,74 0.367,75 1.812,76 38.125,77 12.843,78 48.14,79 18.429,80 0.463,81 1.685,82 39.022,83 12.422,84 57.991,85 18.078,86 0.58,87 1.364,88 34.973,89 11.135,90 65.642,91 15.699,92 0.5,93 1.07,94 26.378,95 8.501,96 48.446,97 11.909,98 0.376,99 0.98,100 20.416,101 6.926,102 48.876,103 9.75,104 27,105 46,106 0.247,107 0.574,108 0.777,109 0.872,110 0.884,111 0.884,112 3.375,113 0.943,114 -4.79,115 -4.7,116 -4.42,121 40,122 2,123 2,125 1,126 2,127 1,130 1,144 7,145 2,146 3,161 1,168 1,176 11,179 2,180 7,183 2,185 2,187 12,191 1,192 10,197 3,200 10,206 11,211 4,214 6,218 1,219 13,224 2,227 3,231 1,232 6,237 1,239 4,243 2,244 2,247 1,249 2,251 10,255 1,259 1,264 12,268 1,269 2,272 1,277 11,281 1138,282 18.712,283 18.712,284 18.712,285 18.712,286 18.712,287 17.144,288 25.571,289 10.693,290 19.086,291 15.204,292 15.204,293 15.204,294 15.204,295 15.204,296 12.732,297 31.43,298 4.968,299 15.825,300 4.291,301 2.328,302 1.103,303 0.528,304 0.455,305 0.455,306 4.067,311 1,312 1,313 666,314 3.606,317 48,318 217.175,321 185.059,325 1.615,326 21.926,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 60.5,338 307,339 4.806,340 4.355,341 7.955,342 4.678,343 3.702,344 4.197,345 2.448,346 15.058,347 3.619,348 4.217,349 3.814,350 6.182,351 3.851,352 2.875,353 3.813,354 2.186,355 9.095,356 2.809,357 3.947,358 3.677,359 6.154,360 3.607,361 2.648,362 3.285,363 0.886,364 8.776,365 2.537,366 3.653,367 2.971,368 5.965,369 3.382,370 2.446,371 2.855,372 0.366,373 7.899,374 2.273,375 3.437,376 2.751,377 5.42,378 3.265,379 2.329,380 2.591,381 0.268,382 6.975,383 2.168,384 3.309,385 2.661,386 4.974,387 3.037,388 2.073,389 2.378,391 5.759,392 1.981,393 2.965,394 2.157,395 4.821,396 2.715,397 1.767,398 2.088,400 5.305,401 1.665,402 2.917,403 1.802,404 4.28,405 2.514,406 1.516,407 2.02,409 3.838,410 1.511,411 2.825,412 1.494,413 4.22,414 2.372,415 1.382,416 1.93,418 3.178,419 1.362,420 2.534,421 1.458,422 3.741,423 2.146,424 1.156,425 1.545,427 3.004,428 1.143,429 1.932,430 1.116,431 3.616,432 1.799,433 0.851,434 0.907,436 2.134,437 0.801,438 1.731,439 0.805,440 3.135,441 1.526,442 0.531,443 0.617,445 0.906,446 0.528,447 1.265,448 0.648,449 3,450 1.081,451 0.147,452 0.153,454 0.354,455 0.136,456 1.146,457 0.511,458 2.815,459 0.943,460 0.022,461 0.025,463 0.053,464 0.02,465 1.128,466 0.289,467 2.725,468 0.76,469 -0.233,470 -0.293,472 -0.505,473 -0.227,474 13.2,475 0.471,476 0.839,477 0.03,478 33.5,479 1.196,480 15,481 0.536,482 18.5,483 0.661,484 26.733,485 0.955,486 31.2,487 0.567,488 25.547,489 0.912,490 6.405,491 0.229,492 7.014,493 0.25,494 0.177,495 0.038,496 0.326,501 0.734,502 1.403,503 0.831,504 1.194,505 0.652,506 1.05,507 0.789,508 0.953,509 0.796,510 0.858,511 0.473,512 0.82,513 1.247,514 1.175,515 1.047,516 1.117,517 0.848,518 1.065,519 1.172,520 1.205,521 1.12,522 1.154,523 0.817,524 1.129,525 1.163,526 0.984,527 1.046,528 1.031,529 1.218,530 1.012,531 1.429,532 0.902,533 1.037,534 0.913,535 1.606,536 0.927,537 1.362,538 0.697,539 0.898,540 0.704,541 1.764,542 0.742,543 1.156,544 1.055,545 1.162,546 1.062,547 2.108,548 1.103,549 7,550 0.205,551 4.222,552 3.521,553 1.853,554 1.153,555 0.587,556 0.385,557 0.244,558 0.318,559 9717,560 21973,561 2.064,562 49.1,563 8,564 15,565 1,567 1,569 2,572 1.709,573 1.898,574 3.392,575 -0.358,582 81.976,583 1.49,584 3.454,585 4.678,586 5.254,587 5.326,588 5.326,589 2.897,590 4.593,591 4.781,592 3.576,593 1351.77,594 8.305,595 17631.2,597 1,600 317.975,601 1.656,602 4.716,603 0.226,604 0.008,605 0.092,606 0.07,607 0.042,608 0.031,609 0.02,610 0.014,611 0.009,612 0.013,613 0.526,614 0.33,615 1,616 0.787,617 140.091,618 0.09,619 -0.163,620 0.082,621 -0.074,622 -0.043,623 -0.012,624 0.235,625 0.19,626 0.175,627 0.164,628 0.223,629 0.164,630 -0.114,631 -0.094,632 -0.072,633 -0.081,634 -0.048,635 -0.074,636 -0.126,637 -0.178,638 -0.138,639 -0.169,640 0.006,641 -0.156,642 -0.057,643 -0.015,644 -0.041,645 -0.087,646 -0.015,647 -0.057,648 -0.062,649 -0.027,650 0.001,651 0.033,652 -0.092,653 0.025,654 -0.006,655 0.207,656 0.14,657 0.246,658 -0.098,659 0.211,660 0.023,661 0.002,662 -0.171,663 -0.065,664 -0.098,665 -0.135,666 2.145,667 5.445,668 0.679,669 24.949,670 0.998,671 1.129,672 3.56,673 12.677,674 0.646,675 3.466,676 3.85,677 4.174,678 4.489,679 4.754,680 4.796,681 4.942,682 5.081,683 5.075,684 5.136,685 6.518,686 0.61,687 381.52,688 3.466,689 5.043,690 5.927,691 6.847,692 7.756,693 8.683,694 9.605,695 10.537,696 11.467,697 12.404,698 5.5,701 1,704 1,705 1,715 7,720 5,722 12,736 1,737 1,741 55,743 13,744 2,745 31,747 58,748 22,749 12,750 5,751 7,756 4,757 7,763 2,764 1,766 1,767 1,770 2,772 13,773 9,777 1,782 1,786 1,793 27,794 6,795 1,796 6,802 3,808 0.5,809 3,828 1,829 3,832 2,852 1,859 2,864 4,868 28,876 3,877 1,878 2,880 1,881 2,882 1,893 5.5,896 1,897 1,898 1,901 14.75,902 11.067,903 6.069,904 3.421,907 2.234,908 1.285,909 0.956,910 5.082,911 10.064,912 3.664,913 4.234,914 4.762,915 5.305,916 5.802,917 5.944,918 6.263,919 6.534,920 6.657,921 6.895,922 1,923 50,924 10.39,926 4.444,927 0.026,929 7.628,931 20.129,933 16.872,936 2.128,937 59.583,939 1,940 1,941 306.049,942 131.842,943 26.874,945 47.364,948 131.842,949 353.412,950 26.874,951 34.443,952 25.186,953 66.334,954 36.364,955 36.991,956 18.534,957 294.278,959 306.049,960 158.716,961 47.364,964 282.506,965 59.687,966 11.219,968 48.575,969 110.141,972 306.049,973 74.237,974 131.842,977 306.049,978 31.065,979 109.64,980 18.011,981 47.364,982 306.049,983 74.237,984 131.842,986 0.593,987 0.361,988 0.202,989 0.114,990 24,991 11,992 0.069,993 4,994 2,995 1.211,996 3.864,997 252.795,998 0.211,999 19,1000 134.606,1005 19.248,1006 7.393,1007 3.421,1009 74.237,1010 13.58,1015 4.68,1017 18.011,1018 512.128,1019 38,1024 12.445,1028 -0.478,1031 54.891,1032 62.106,1034 0.258,1035 0.597,1036 0.809,1037 0.909,1038 0.921,1039 0.921,1040 4.956,1041 1.516,1042 5.969,1043 5.305,1044 4.533,1045 4.92,1046 3.097,1047 6.895,1048 4.456,1049 6.171,1050 1.382,1051 7.607,1052 3.838,1053 4.369,1054 4.808,1055 2.242,1056 8.238,1057 4.267,1058 7.505,1059 1.156,1060 9.364,1061 3.178,1062 6.271,1063 7.042,1064 4.563,1065 11.389,1066 6.132,1067 8.876,1068 0.851,1069 11.198,1070 3.004,1071 6.938,1072 7.7,1073 4.171,1074 13.641,1075 6.787,1076 10.283,1077 0.531,1078 13.085,1079 2.134,1080 8.39,1081 9.48,1082 6.187,1083 16.446,1084 8.212,1085 11.717,1086 0.147,1087 15.014,1088 0.906,1089 9.427,1090 10.501,1091 6.035,1092 19.019,1093 9.24,1094 13.174,1095 0.022,1096 16.975,1097 0.354,1098 10.746,1099 12.093,1100 7.856,1101 21.75,1102 10.538,1103 3.702,1104 -0.233,1105 18.96,1106 0.053,1107 11.941,1108 13.298,1109 7.863,1110 24.421,1111 11.72,1112 2.875,1113 15.058,1114 20.966,1115 -0.505,1116 13.233,1117 14.802,1118 9.547,1119 27.136,1120 12.992,1121 2.648,1122 9.095,1123 22.987,1124 4.197,1125 14.491,1126 16.103,1127 9.674,1128 29.836,1129 14.233,1130 2.446,1131 8.776,1132 25.02,1133 3.813,1134 15.783,1135 17.564,1136 11.254,1137 32.549,1138 15.505,1139 2.329,1140 7.899,1141 27.062,1142 3.285,1143 17.068,1144 18.918,1145 11.479,1146 35.257,1147 16.77,1148 2.073,1149 6.975,1150 29.112,1151 2.855,1152 18.366,1153 20.357,1154 12.973,1155 37.969,1156 18.047,1157 1.767,1158 5.759,1159 31.168,1160 2.591,1161 19.662,1162 21.741,1163 13.282,1164 40.679,1165 19.323,1166 9286,1167 14112,1168 20.285,1169 35.517,1170 47.205,1171 49.294,1172 49.76,1173 46.872,1174 46.892,1175 56.805,1176 12.308,1177 144.67,1178 45.108,1179 5.806,1180 6.355,1181 7.65,1182 5.771,1183 5.702,1184 7.197,1185 4.714,1186 23.416,1187 5.619,1188 15.158,1189 1.523,1190 1.59,1191 1.605,1192 1.512,1193 1.513,1194 1.832,1195 0.397,1196 4.667,1197 1.455,1198 4.074,1199 4.104,1200 4.024,1201 3.977,1202 7.435,1203 3.984,1204 3.936,1205 3.969,1206 3.873,1207 3.867,1208 4.871,1209 3.863,1210 3.685,1211 3.728,1212 3.601,1213 3.524,1214 4.743,1215 3.531,1216 3.437,1217 3.493,1218 3.36,1219 3.242,1220 4.636,1221 3.217,1222 3.385,1223 3.464,1224 3.18,1225 3.167,1226 4.251,1227 3.194,1228 3.29,1229 3.372,1230 3.161,1231 3.055,1232 4.022,1233 3.072,1234 3.273,1235 3.339,1236 3.092,1237 3.012,1238 3.956,1239 3.033,1240 2.98,1241 3.094,1242 2.718,1243 2.758,1244 3.947,1245 2.727,1246 0.155,1247 0.14,1248 0.257,1249 0.151,1250 0.119,1251 4.806,1252 0.135,1253 4.355,1254 0.079,1255 7.955,1256 0.486,1257 4.678,1258 0.117,1259 3.702,1260 4.197,1261 2.448,1262 15.058,1263 3.619,1264 1.93,1265 1.904,1266 2.051,1267 2.033,1268 1.363,1269 2.037,1270 1.91,1271 1.885,1272 2.028,1273 2.006,1274 1.211,1275 2.015,1276 1.73,1277 1.682,1278 1.898,1279 1.934,1280 1.06,1281 1.922,1282 1.424,1283 1.346,1284 1.738,1285 1.636,1286 0.841,1287 1.669,1288 1.349,1289 1.262,1290 1.662,1291 1.615,1292 0.836,1293 1.636,1294 1.282,1295 1.221,1296 1.595,1297 1.565,1298 0.668,1299 1.563,1300 1.16,1301 1.105,1302 1.455,1303 1.455,1304 0.572,1305 1.436,1306 1.024,1307 0.913,1308 1.315,1309 1.297,1310 0.337,1311 1.357,1312 4.143,1314 5.509,1315 2.398,1316 7.083,1317 5.043,1318 8.754,1319 7.391,1320 10.48,1322 8.282,1328 2.681,1329 2.855,1330 11.677,1332 -0.054,1333 4.053,1334 -0.138,1340 33.53,1341 81.976,1342 189.961,1343 257.304,1344 288.955,1345 292.955,1346 292.955,1347 46.192,1348 7.83,1349 54.04,1350 54.04,1351 23,1352 12.903,1353 3.807,1354 3,1355 42.569,1356 111,1357 100,1358 0.191,1359 204.108,1360 358.81,1361 489.784,1362 27677,1364 19.889,1365 0.71,1366 0.602,1367 19.889,1368 16.859,1369 13.419,1370 0.433,1371 0.314,1372 9.592,1373 12.841,1374 9.232,1375 7.703,1376 13.419,1377 9.741,1378 12.59,1379 0.274,1380 0.169,1381 12.59,1382 7.792,1383 10.88,1384 0.17,1385 0.093,1386 10.88,1387 5.931,1388 9.334,1389 0.106,1390 0.049,1391 9.334,1392 4.281,1393 7.946,1394 0.069,1395 0.027,1396 7.946,1397 3.122,1398 0.299,1399 84.451,1400 0.222,1401 26.582,1402 0.523,1403 154,1404 418.83,1405 171.288,1406 397.901,1407 554.97,1408 374,1409 187,1410 427.741,1411 204.876,1412 427.692,1413 630.79,1414 401,1415 7.187}
{0 CHEMBL1221975,1 1.473,2 9.528,3 5.82,4 33.875,5 135.454,6 7.123,7 0.293,8 4.349,9 4.453,10 3.993,11 4.032,12 5.313,13 3.936,14 4.972,15 5.13,16 4.418,17 4.511,18 5.931,19 4.387,20 5.271,21 5.432,22 4.488,23 4.706,24 6.208,25 4.56,26 5.525,27 5.757,28 4.473,29 4.724,30 6.358,31 4.577,32 5.528,33 5.783,34 4.542,35 4.712,36 6.379,37 4.569,38 5.43,39 5.618,40 4.633,41 4.767,42 6.365,43 4.64,44 5.521,45 5.721,46 4.673,47 4.851,48 6.461,49 4.714,50 5.583,51 5.795,52 4.577,53 4.881,54 6.554,55 4.716,56 0.11,57 1.051,58 18.081,59 9.463,60 13.553,61 10.326,62 0.541,63 1.929,64 38.235,65 18.831,66 48.145,67 19.632,68 0.564,69 2.5,70 50.95,71 24.844,72 58.522,73 26.472,74 0.741,75 2.806,76 62.445,77 25.534,78 79.575,79 31.034,80 0.793,81 2.78,82 63.413,83 25.924,84 87.908,85 31.689,86 0.972,87 2.701,88 59.035,89 25.027,90 83.711,91 27.856,92 0.83,93 2.932,94 62.461,95 27.302,96 77.621,97 31.412,98 1.031,99 3.163,100 67.703,101 29.031,102 114.144,103 33.81,104 40,105 64,106 0.231,107 0.549,108 0.761,109 0.796,110 0.81,111 0.815,112 3.617,113 1.159,114 -5.33,115 -5.22,116 -4.88,121 40.8,122 3,123 1,124 1,126 2,127 2,128 1,129 3,132 1,137 1,138 1,144 7,145 3,146 2,160 1,176 12,179 2,180 10,187 15,191 1,192 18,200 8,205 1,206 14,214 6,218 3,219 10,227 12,231 3,232 11,239 16,243 2,244 10,251 19,255 2,256 11,264 21,268 1,269 4,277 16,281 2470,282 23.767,283 23.767,284 23.767,285 23.767,286 23.767,287 22.017,288 26.903,289 13.381,290 24.137,291 20.278,292 20.278,293 20.278,294 20.278,295 20.278,296 17.468,297 36.33,298 6.4,299 20.896,300 4.676,301 2.641,302 1.285,303 1.064,304 0.969,305 0.941,306 4.328,312 1,313 763,314 4.743,317 110.152,318 255.922,321 271.207,322 191.448,323 109.478,325 1.247,326 39.288,329 0.75,330 0.67,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.85,337 76.833,338 343,339 4.698,340 3.824,341 8.105,342 4.69,343 3.694,344 4.137,345 1.674,346 14.448,347 3.68,348 4.577,349 3.693,350 7.175,351 4.392,352 3.418,353 3.707,354 1.392,355 12.649,356 3.332,357 4.259,358 3.627,359 6.351,360 3.921,361 2.962,362 3.673,363 1.058,364 9.746,365 2.842,366 4.14,367 3.324,368 6.255,369 3.799,370 2.823,371 3.537,372 0.765,373 9.324,374 2.759,375 3.792,376 3.037,377 5.998,378 3.564,379 2.606,380 3.119,381 0.671,382 8.456,383 2.477,384 3.675,385 2.91,386 5.939,387 3.468,388 2.498,389 2.747,390 0.532,391 8.303,392 2.403,393 3.272,394 2.422,395 5.447,396 3.105,397 2.123,398 2.484,399 0.155,400 6.835,401 2.082,402 3.218,403 2.231,404 5.17,405 2.876,406 1.898,407 2.352,409 6.043,410 1.856,411 3.083,412 2.155,413 5.114,414 2.829,415 1.861,416 2.136,418 5.868,419 1.792,420 2.996,421 2.054,422 4.56,423 2.701,424 1.712,425 2.04,427 4.536,428 1.68,429 2.653,430 1.934,431 4.344,432 2.439,433 1.498,434 1.664,436 4.169,437 1.4,438 2.567,439 1.735,440 3.934,441 2.122,442 1.152,443 1.534,445 2.878,446 1.112,447 2.5,448 1.546,449 3.81,450 2.095,451 1.102,452 1.5,454 2.462,455 1.088,456 2.206,457 1.323,458 3.481,459 2,460 1,461 1.186,463 2.412,464 1,465 1.999,466 1.249,467 3.446,468 1.908,469 0.929,470 0.975,472 2.136,473 0.904,474 17.817,475 0.495,476 1.309,477 0.036,478 39.75,479 1.104,480 15.5,481 0.431,482 24.25,483 0.674,484 46.186,485 1.283,486 39.183,487 0.552,488 32.215,489 0.895,490 6.834,491 0.19,492 10.287,493 0.286,494 0.159,495 0.098,496 0.331,501 0.952,502 1.302,503 0.846,504 1.368,505 0.752,506 1.052,507 1.061,508 1.206,509 1.106,510 1.657,511 0.632,512 1.087,513 1.128,514 1.478,515 1.391,516 1.813,517 0.801,518 1.425,519 1.091,520 0.983,521 0.965,522 0.879,523 1.069,524 0.969,525 0.927,526 0.778,527 0.726,528 0.71,529 1.015,530 0.732,531 1.432,532 1.048,533 1.065,534 1.156,535 1.312,536 0.999,537 1.145,538 1.018,539 1.004,540 1.02,541 1.142,542 0.978,543 1.118,544 1.09,545 1.182,546 1.141,547 1.687,548 1.13,549 9,550 0.288,551 5.333,552 2.604,553 2.852,554 1.869,555 1.695,556 1.408,557 0.93,558 0.558,559 16909,560 36707,561 2.12,562 49.3,564 21,565 2,569 11,570 1,572 1.787,573 1.946,574 3.184,575 -0.799,582 104.616,583 1.473,584 3.508,585 4.865,586 5.086,587 5.181,588 5.209,589 2.569,590 4.816,591 5.142,592 3.387,593 2133.81,594 9.112,595 32082,600 436.632,601 1.711,602 5.076,603 0.22,604 0.008,605 0.083,606 0.039,607 0.045,608 0.027,609 0.023,610 0.018,611 0.013,612 0.011,613 0.487,614 0.33,615 0.75,616 1.005,617 189.217,618 -0.085,619 -0.06,620 0.168,621 0.033,622 -0.094,623 0.076,624 0.144,625 0.093,626 0.069,627 0.01,628 0.161,629 0.092,630 0.016,631 -0.253,632 -0.266,633 -0.276,634 0.018,635 -0.281,636 -0.072,637 -0.044,638 -0.015,639 -0.029,640 -0.075,641 -0.029,642 0.094,643 0.14,644 0.24,645 0.137,646 0.099,647 0.211,648 -0.076,649 0.018,650 0.002,651 0.021,652 -0.078,653 0.022,654 0.01,655 0.009,656 0.005,657 0.032,658 0.02,659 0.017,660 -0.074,661 -0.041,662 -0.175,663 -0.068,664 -0.092,665 -0.126,666 2.847,667 6.428,668 0.694,669 32.512,670 0.993,671 1.117,672 4.104,673 16.842,674 0.68,675 3.738,676 4.174,677 4.5,678 4.812,679 5.159,680 5.425,681 5.743,682 6.031,683 6.221,684 6.384,685 6.219,686 0.626,687 505.74,688 3.738,689 5.352,690 6.248,691 7.182,692 8.104,693 9.042,694 9.977,695 10.919,696 11.861,697 12.807,698 1.4,701 1,715 7,720 5,722 12,732 1,739 2,741 71,743 14,744 2,745 41,747 76,748 29,749 12,750 5,751 7,752 1,756 6,757 19,763 3,767 4,768 1,770 4,772 15,773 14,774 2,777 2,782 1,784 1,786 2,793 35,794 6,796 7,797 1,802 1,808 0.333,809 5,828 2,829 4,832 3,833 2,834 1,849 1,850 1,855 1,859 2,864 5,868 36,876 4,878 4,880 4,881 1,882 1,884 1,893 7,896 1,897 1,898 3,901 18.5,902 14.283,903 7.354,904 4.392,907 2.49,908 1.27,909 0.966,910 6.052,911 11.716,912 3.912,913 4.5,914 5.011,915 5.515,916 6.052,917 6.347,918 6.771,919 7.157,920 7.499,921 7.825,922 1,923 67,924 13.57,926 6.17,927 0.026,929 7.554,931 26.662,933 24.179,936 2.054,937 73.944,941 294.278,942 124.518,943 21.135,945 42.806,948 121.475,949 334.399,950 21.809,951 16.793,952 19.151,953 74.868,954 48.289,955 29.353,957 282.506,959 294.278,960 144.684,961 45.652,964 258.964,965 71.458,968 37.272,969 93.286,970 9.476,972 294.278,973 68.301,974 128.976,977 294.278,978 36.119,979 84.635,980 17.031,981 61.29,982 294.278,983 70.251,984 128.976,986 0.613,987 0.361,988 0.18,989 0.103,990 36,991 16,992 0.079,993 6,994 5,995 1.36,996 4.307,997 397.972,998 0.4,999 24,1000 175.362,1005 24.515,1006 8.888,1007 4.249,1009 69.593,1010 13.502,1015 4.526,1017 18.011,1018 496.3,1019 49,1024 13.428,1026 2.28,1028 1.095,1031 70.538,1032 79.328,1033 1,1034 0.24,1035 0.57,1036 0.791,1037 0.827,1038 0.842,1039 0.847,1040 5.252,1041 1.898,1042 6.319,1043 6.835,1044 4.86,1045 5.187,1046 2.72,1047 7.268,1048 4.803,1049 6.484,1050 1.861,1051 7.977,1052 6.043,1053 4.796,1054 5.139,1055 0.325,1056 8.62,1057 4.734,1058 7.835,1059 1.712,1060 9.753,1061 5.868,1062 6.65,1063 7.295,1064 3.312,1065 11.724,1066 6.552,1067 9.217,1068 1.498,1069 11.602,1070 4.536,1071 7.378,1072 7.985,1073 0.504,1074 13.888,1075 7.281,1076 10.632,1077 1.152,1078 13.502,1079 4.169,1080 8.803,1081 9.705,1082 4.131,1083 16.63,1084 8.684,1085 12.069,1086 1.102,1087 15.438,1088 2.878,1089 9.854,1090 10.721,1091 0.646,1092 19.099,1093 9.737,1094 13.523,1095 1,1096 17.403,1097 2.462,1098 11.153,1099 12.266,1100 5.044,1101 21.756,1102 11.024,1103 3.694,1104 0.929,1105 19.389,1106 2.412,1107 12.336,1108 13.444,1109 0.772,1110 24.336,1111 12.206,1112 3.418,1113 14.448,1114 21.394,1115 2.136,1116 13.605,1117 14.909,1118 6.002,1119 26.979,1120 13.47,1121 2.962,1122 12.649,1123 23.414,1124 4.137,1125 14.841,1126 16.175,1127 0.888,1128 29.602,1129 14.706,1130 2.823,1131 9.746,1132 25.446,1133 3.707,1134 16.109,1135 17.601,1136 6.985,1137 32.248,1138 15.972,1139 2.606,1140 9.324,1141 27.488,1142 3.673,1143 17.371,1144 18.918,1145 0.997,1146 34.889,1147 17.232,1148 2.498,1149 8.456,1150 29.539,1151 3.537,1152 18.645,1153 20.326,1154 7.983,1155 37.539,1156 18.505,1157 2.123,1158 8.303,1159 31.596,1160 3.119,1161 19.919,1162 21.675,1163 1.102,1164 40.19,1165 19.778,1166 15729,1167 23390,1168 27.046,1169 48.279,1170 65.229,1171 66.836,1172 65.371,1173 64.332,1174 64.389,1175 75.652,1176 12.492,1177 205.701,1178 62.519,1179 5.686,1180 5.824,1181 7.907,1182 5.768,1183 5.694,1184 7.137,1185 3.349,1186 22.72,1187 5.68,1188 19.095,1189 1.591,1190 1.63,1191 1.594,1192 1.569,1193 1.57,1194 1.845,1195 0.305,1196 5.017,1197 1.525,1198 4.117,1199 4.143,1200 4.203,1201 4.521,1202 7.433,1203 4.053,1204 3.909,1205 3.931,1206 4.032,1207 4.012,1208 5.003,1209 3.941,1210 3.846,1211 3.867,1212 3.848,1213 3.839,1214 4.755,1215 3.836,1216 3.787,1217 3.825,1218 3.761,1219 3.714,1220 4.678,1221 3.717,1222 3.505,1223 3.55,1224 3.402,1225 3.332,1226 4.449,1227 3.326,1228 3.381,1229 3.411,1230 3.286,1231 3.281,1232 4.289,1233 3.212,1234 3.299,1235 3.374,1236 3.216,1237 3.17,1238 4.217,1239 3.181,1240 3.2,1241 3.21,1242 3.122,1243 2.996,1244 4.095,1245 3.025,1246 0.115,1247 0.093,1248 0.198,1249 0.114,1250 0.09,1251 4.698,1252 0.101,1253 3.824,1254 0.041,1255 8.105,1256 0.352,1257 4.69,1258 0.09,1259 3.694,1260 4.137,1261 1.674,1262 14.448,1263 3.68,1264 2.004,1265 1.984,1266 2.092,1267 2.098,1268 1.478,1269 2.098,1270 1.895,1271 1.872,1272 2.012,1273 1.982,1274 1.42,1275 1.991,1276 1.877,1277 1.85,1278 1.962,1279 1.869,1280 1.182,1281 1.932,1282 1.727,1283 1.697,1284 1.884,1285 1.826,1286 1.069,1287 1.857,1288 1.481,1289 1.422,1290 1.685,1291 1.679,1292 0.956,1293 1.683,1294 1.375,1295 1.301,1296 1.625,1297 1.522,1298 0.861,1299 1.571,1300 1.232,1301 1.202,1302 1.456,1303 1.48,1304 0.726,1305 1.491,1306 1.156,1307 1.129,1308 1.417,1309 1.449,1310 0.581,1311 1.44,1312 4.419,1314 5.826,1315 3.045,1316 7.422,1317 5.352,1318 9.11,1319 7.424,1320 10.85,1322 11.271,1328 3.105,1330 24.91,1332 -0.578,1333 2.521,1334 0.036,1336 -2.152,1340 44.436,1341 104.616,1342 249.089,1343 345.432,1344 361.083,1345 367.838,1346 369.838,1347 71.922,1348 9.226,1349 57.23,1350 57.23,1351 34,1352 13.3,1353 3.907,1354 3.17,1355 48.358,1356 127,1357 152,1358 0.178,1359 264.671,1360 483.64,1361 637.558,1362 139794,1364 25.242,1365 0.701,1366 0.632,1367 25.492,1368 22.745,1369 17.121,1370 0.418,1371 0.386,1372 13.061,1373 15.744,1374 12.247,1375 10.113,1376 17.923,1377 15.84,1378 17.443,1379 0.273,1380 0.261,1381 18.862,1382 16.672,1383 14.75,1384 0.166,1385 0.148,1386 16.152,1387 13.188,1388 11.985,1389 0.098,1390 0.058,1391 12.583,1392 7.074,1393 10.454,1394 0.06,1395 0.033,1396 11.061,1397 5.664,1398 0.266,1399 113.688,1400 0.192,1401 31.677,1402 0.534,1403 210,1404 531.823,1405 259.718,1406 506.194,1407 704.32,1408 478,1409 258,1410 512.456,1411 312.168,1412 533.274,1413 797.74,1414 499,1415 6.409}
{0 CHEMBL1222025,1 1.486,2 9.345,3 2.757,4 7.601,5 105.505,6 7.829,7 0.353,8 4.064,9 4.146,10 3.688,11 3.619,12 5.128,13 3.623,14 4.663,15 4.784,16 4.12,17 4.081,18 5.749,19 4.07,20 4.94,21 5.104,22 4.194,23 4.262,24 5.952,25 4.208,26 5.057,27 5.248,28 4.185,29 4.264,30 6.038,31 4.204,32 5.043,33 5.235,34 4.185,35 4.191,36 6.166,37 4.148,38 4.975,39 5.149,40 4.119,41 4.137,42 6.084,43 4.101,44 4.915,45 5.104,46 4.059,47 4.071,48 6.034,49 4.027,50 4.799,51 4.994,52 3.784,53 3.933,54 5.926,55 3.858,56 0.075,57 0.668,58 9.559,59 4.995,60 11.75,61 5.686,62 0.478,63 1.196,64 20.041,65 8.604,66 37.602,67 9.998,68 0.437,69 1.552,70 28.058,71 12.086,72 47.374,73 14.917,74 0.563,75 1.691,76 34.187,77 13.415,78 61.283,79 16.72,80 0.757,81 1.62,82 34.882,83 12.925,84 92.524,85 15.908,86 0.838,87 1.493,88 32.381,89 11.82,90 75.08,91 13.859,92 0.688,93 1.418,94 30.56,95 11.435,96 68.333,97 14.032,98 0.814,99 1.249,100 28.229,101 10.009,102 83.572,103 12.045,104 5,105 51,106 0.249,107 0.625,108 0.809,109 0.861,110 0.884,111 0.891,112 3.41,113 0.882,114 -4.12,115 -4.06,116 -3.84,121 46,123 1,124 1,127 2,128 1,129 3,137 1,138 1,144 7,145 3,146 2,160 1,176 12,179 2,180 9,185 1,187 12,192 13,195 1,197 2,200 8,205 1,206 12,211 2,214 6,218 1,219 7,222 2,224 3,227 9,231 3,232 5,237 3,239 10,243 1,244 8,247 1,249 2,251 13,255 1,256 4,259 1,261 1,264 12,268 1,269 4,277 7,281 1316,282 20.102,283 20.102,284 20.102,285 20.102,286 20.102,287 18.351,288 25.825,289 11.577,290 20.459,291 16.836,292 16.836,293 16.836,294 16.836,295 16.836,296 14.016,297 35.023,298 5.543,299 17.432,300 4.158,301 1.909,302 0.808,303 0.495,304 0.36,305 0.32,306 4.136,311 1,312 1,313 626,314 3.082,317 80.859,318 194.876,321 198.667,322 138.54,323 80.599,325 1.322,326 35.535,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 63.5,338 271,339 4.583,340 3.798,341 7.168,342 4.394,343 3.42,344 4.137,345 1.674,346 12.618,347 3.332,348 4.258,349 3.628,350 6.35,351 3.919,352 2.96,353 3.68,354 1.392,355 9.734,356 2.839,357 4.14,358 3.325,359 6.211,360 3.798,361 2.82,362 3.546,363 1.058,364 9.152,365 2.759,366 3.791,367 3.017,368 5.998,369 3.54,370 2.582,371 3.118,372 0.765,373 8.452,374 2.459,375 3.652,376 2.906,377 5.892,378 3.457,379 2.489,380 2.735,381 0.671,382 8.115,383 2.388,384 3.258,385 2.367,386 5.257,387 2.93,388 1.957,389 2.476,390 0.532,391 6.185,392 1.9,393 3.183,394 2.226,395 5.115,396 2.834,397 1.872,398 2.312,399 0.155,400 5.869,401 1.793,402 3.052,403 2.155,404 4.545,405 2.704,406 1.717,407 2.132,409 4.486,410 1.682,411 2.67,412 1.978,413 4.317,414 2.44,415 1.501,416 1.683,418 4.141,419 1.401,420 2.569,421 1.736,422 3.834,423 2.12,424 1.149,425 1.537,427 2.795,428 1.111,429 2.5,430 1.559,431 3.791,432 2.094,433 1.101,434 1.5,436 2.462,437 1.086,438 2.206,439 1.323,440 3.48,441 2,442 1,443 1.186,445 2.412,446 1,447 1.996,448 1.249,449 3.443,450 1.907,451 0.929,452 0.973,454 2.136,455 0.903,456 1.861,457 1,458 3.247,459 1.636,460 0.693,461 0.777,463 1.919,464 0.644,465 1.389,466 0.677,467 3.176,468 1.115,469 0.175,470 0.199,472 0.466,473 0.162,474 13.567,475 0.468,476 0.743,477 0.026,478 35.25,479 1.216,480 15.5,481 0.534,482 19.75,483 0.681,484 26.885,485 0.927,486 30.833,487 0.617,488 26.863,489 0.926,490 6.872,491 0.237,492 7.315,493 0.252,494 0.049,496 0.435,501 0.819,502 1.167,503 0.708,504 1.039,505 0.725,506 0.884,507 0.947,508 0.997,509 0.907,510 0.922,511 0.665,512 0.898,513 0.819,514 1.159,515 0.975,516 1.136,517 0.707,518 1.096,519 1.002,520 1.071,521 0.996,522 1.066,523 1.035,524 1.036,525 1.116,526 0.986,527 0.96,528 0.987,529 1.276,530 0.949,531 1.37,532 0.931,533 1.106,534 0.934,535 1.449,536 0.961,537 1.094,538 1.001,539 0.962,540 1,541 1.248,542 0.96,543 1.318,544 0.851,545 1.209,546 0.865,547 1.524,548 0.986,549 5,550 0.045,551 3.333,552 2.104,553 2.252,554 1.223,555 0.895,556 0.562,557 0.306,558 0.136,559 10490,560 26706,561 2.255,562 42,564 15,565 2,567 1,569 2,570 1,572 1.728,573 2.148,574 3.189,575 -0.371,576 1,577 1,582 74.303,583 1.486,584 3.735,585 4.836,586 5.149,587 5.284,588 5.324,589 2.641,590 4.625,591 4.829,592 3.323,593 1349.32,594 8.456,595 17090.3,597 1,599 1,600 282.193,601 1.285,602 4.807,603 0.147,604 0.003,605 0.065,606 0.04,607 0.044,608 0.024,609 0.019,610 0.013,611 0.009,612 0.006,613 0.371,614 0.5,615 0.88,616 0.434,617 142.605,618 -0.054,619 -0.087,620 0.066,621 -0.018,622 -0.073,623 0.037,624 0.019,625 0.082,626 -0.039,627 0.058,628 0.034,629 0.013,630 -0.003,631 -0.142,632 -0.074,633 -0.143,634 0.033,635 -0.127,636 -0.061,637 -0.084,638 -0.026,639 -0.087,640 -0.057,641 -0.056,642 0.003,643 -0.016,644 0.053,645 -0.02,646 0.04,647 0.017,648 -0.1,649 0.04,650 -0.091,651 0.029,652 -0.125,653 -0.022,654 0.024,655 -0.039,656 0.048,657 -0.027,658 -0.017,659 0.009,660 -0.109,661 0.109,662 -0.177,663 0.099,664 -0.124,665 -0.026,666 2.171,667 5.799,668 0.862,669 22.694,670 1.011,671 1.114,672 2.886,673 8.328,674 0.678,675 3.555,676 3.951,677 4.331,678 4.71,679 5.037,680 5.268,681 5.545,682 5.802,683 5.971,684 6.118,685 5.623,686 0.657,687 391.45,688 3.555,689 5.142,690 6.047,691 6.974,692 7.901,693 8.837,694 9.772,695 10.714,696 11.655,697 12.601,698 2,701 1,715 7,720 5,722 12,732 1,739 2,741 50,743 14,744 2,745 34,747 55,748 23,749 12,750 5,751 7,752 1,756 6,757 19,767 4,768 1,770 4,772 15,773 8,774 1,777 2,782 1,784 1,786 2,790 1,793 21,794 6,795 1,796 6,802 1,808 0.333,809 5,811 1,828 2,829 4,832 3,833 2,834 1,849 1,850 1,855 1,857 1,859 2,868 29,875 1,876 4,878 3,880 4,881 1,893 10,894 1,896 1,898 3,901 13.5,902 8.817,903 6.083,904 3.049,907 2.547,908 1.287,909 0.994,910 3.981,911 11.426,912 3.761,913 4.344,914 4.913,915 5.462,916 5.991,917 6.262,918 6.666,919 7.034,920 7.362,921 7.662,922 1,923 53,924 10.873,926 5.02,927 0.026,929 7.724,931 20.906,933 18.761,936 2.224,937 64.5,940 1,941 235.422,942 119.627,943 3.124,945 100.828,948 119.627,949 336.25,950 3.124,952 13.396,953 118.493,954 32.336,955 59.353,956 23.542,957 211.88,959 235.422,960 122.751,961 100.828,964 200.109,965 93.458,966 42.683,968 16.52,969 96.754,970 9.476,972 235.422,973 103.952,974 119.627,977 235.422,978 43.817,979 78.934,981 100.828,982 235.422,983 103.952,984 119.627,986 0.596,987 0.363,988 0.21,989 0.118,990 30,991 12,992 0.055,993 3,994 5,995 1.36,996 3.984,997 295.552,998 0.4,999 24,1000 136.881,1005 17.515,1006 6.591,1007 2.721,1009 103.952,1010 12.977,1015 4.18,1017 42.683,1018 459.001,1019 42,1024 12.799,1026 1.891,1028 0.821,1031 50.574,1032 55.697,1034 0.263,1035 0.662,1036 0.857,1037 0.912,1038 0.936,1039 0.943,1040 5.063,1041 1.717,1042 6.057,1043 5.869,1044 4.635,1045 5.03,1046 2.72,1047 6.954,1048 4.567,1049 6.257,1050 1.501,1051 7.662,1052 4.486,1053 4.29,1054 4.808,1055 0.325,1056 7.982,1057 4.186,1058 7.573,1059 1.149,1060 9.367,1061 4.141,1062 6.304,1063 7.129,1064 3.312,1065 11.164,1066 6.175,1067 8.921,1068 1.101,1069 11.132,1070 2.795,1071 6.804,1072 7.713,1073 0.504,1074 13.045,1075 6.637,1076 10.301,1077 1,1078 12.936,1079 2.462,1080 8.283,1081 9.525,1082 4.131,1083 15.755,1084 8.096,1085 11.704,1086 0.929,1087 14.767,1088 2.412,1089 9.163,1090 10.485,1091 0.646,1092 18.001,1093 8.943,1094 13.124,1095 0.693,1096 16.618,1097 2.136,1098 10.446,1099 12.083,1100 5.044,1101 20.567,1102 10.206,1103 3.42,1104 0.175,1105 18.484,1106 1.919,1107 11.501,1108 13.236,1109 0.772,1110 22.974,1111 11.231,1112 2.96,1113 12.618,1114 20.363,1115 0.466,1116 12.717,1117 14.733,1118 6.002,1119 25.503,1120 12.426,1121 2.82,1122 9.734,1123 22.253,1124 4.137,1125 13.852,1126 15.992,1127 0.888,1128 27.98,1129 13.534,1130 2.582,1131 9.152,1132 24.152,1133 3.68,1134 15.052,1135 17.44,1136 6.985,1137 30.503,1138 14.712,1139 2.489,1140 8.452,1141 26.059,1142 3.546,1143 16.226,1144 18.76,1145 0.997,1146 33.011,1147 15.86,1148 1.957,1149 8.115,1150 27.974,1151 3.118,1152 17.426,1153 20.184,1154 7.983,1155 35.536,1156 17.038,1157 1.872,1158 6.185,1159 29.895,1160 2.735,1161 18.62,1162 21.539,1163 1.102,1164 38.058,1165 18.207,1166 9434,1167 15155,1168 23.581,1169 33.892,1170 53.155,1171 54.396,1172 53.65,1173 52.744,1174 52.729,1175 63.985,1176 12.492,1177 161.879,1178 50.917,1179 5.562,1180 5.798,1181 6.97,1182 5.468,1183 5.42,1184 7.137,1185 3.349,1186 20.235,1187 5.332,1188 9.305,1189 1.563,1190 1.6,1191 1.578,1192 1.551,1193 1.551,1194 1.882,1195 0.367,1196 4.761,1197 1.498,1198 4.11,1199 4.137,1200 4.057,1201 4.018,1202 7.433,1203 4.023,1204 3.907,1205 3.929,1206 3.85,1207 3.839,1208 6.45,1209 3.837,1210 3.83,1211 3.846,1212 3.77,1213 3.718,1214 5.001,1215 3.726,1216 3.514,1217 3.556,1218 3.413,1219 3.313,1220 4.738,1221 3.326,1222 3.38,1223 3.406,1224 3.287,1225 3.173,1226 4.558,1227 3.198,1228 3.214,1229 3.216,1230 3.145,1231 2.998,1232 4.278,1233 3.029,1234 3.004,1235 3.057,1236 2.869,1237 2.858,1238 4.202,1239 2.851,1240 2.943,1241 3.016,1242 2.779,1243 2.735,1244 3.974,1245 2.737,1246 0.135,1247 0.112,1248 0.211,1249 0.129,1250 0.101,1251 4.583,1252 0.122,1253 3.798,1254 0.049,1255 7.168,1256 0.371,1257 4.394,1258 0.098,1259 3.42,1260 4.137,1261 1.674,1262 12.618,1263 3.332,1264 2,1265 1.98,1266 2.092,1267 2.099,1268 1.458,1269 2.098,1270 1.895,1271 1.872,1272 2.012,1273 1.982,1274 1.181,1275 1.991,1276 1.74,1277 1.714,1278 1.889,1279 1.861,1280 1.069,1281 1.87,1282 1.481,1283 1.422,1284 1.685,1285 1.68,1286 0.951,1287 1.684,1288 1.238,1289 1.209,1290 1.457,1291 1.522,1292 0.725,1293 1.491,1294 1.158,1295 1.13,1296 1.42,1297 1.475,1298 0.58,1299 1.45,1300 1.062,1301 1.031,1302 1.248,1303 1.313,1304 0.511,1305 1.285,1306 0.977,1307 0.928,1308 1.235,1309 1.184,1310 0.41,1311 1.205,1312 4.234,1314 5.609,1315 3.045,1316 7.188,1317 5.352,1318 8.867,1319 7.424,1320 10.608,1327 10.915,1328 2.904,1330 17.096,1332 -1.495,1333 2.413,1340 32.863,1341 74.303,1342 186.767,1343 241.786,1344 257.438,1345 264.193,1346 266.193,1347 47.472,1348 8.879,1349 68.23,1350 68.23,1351 34,1352 13.094,1353 3.907,1354 3.17,1355 35.712,1356 94,1357 113,1358 0.182,1359 190.39,1360 344.33,1361 456.312,1362 95125,1364 19.535,1365 0.674,1366 0.544,1367 19.535,1368 15.784,1369 14.187,1370 0.417,1371 0.294,1372 9.842,1373 13.595,1374 9.702,1375 7.862,1376 14.187,1377 10,1378 13.322,1379 0.261,1380 0.158,1381 13.322,1382 8.064,1383 12.142,1384 0.162,1385 0.087,1386 12.142,1387 6.496,1388 10.982,1389 0.1,1390 0.048,1391 10.982,1392 5.239,1393 9.463,1394 0.062,1395 0.026,1396 9.463,1397 4.012,1398 0.273,1399 89.483,1400 0.206,1401 26.662,1402 0.539,1403 170,1404 488.737,1405 188.357,1406 454.952,1407 627.76,1408 430,1409 211,1410 461.647,1411 230.498,1412 462.152,1413 696.96,1414 436,1415 6.268}
{0 CHEMBL1222026,1 1.497,2 9.375,3 3.136,4 9.835,5 114.657,6 7.882,7 0.324,8 4.15,9 4.23,10 3.779,11 3.693,12 5.227,13 3.701,14 4.753,15 4.877,16 4.208,17 4.136,18 5.879,19 4.131,20 5.009,21 5.164,22 4.265,23 4.316,24 6.016,25 4.273,26 5.119,27 5.297,28 4.304,29 4.353,30 6.109,31 4.304,32 5.169,33 5.351,34 4.358,35 4.333,36 6.26,37 4.302,38 5.145,39 5.308,40 4.357,41 4.338,42 6.236,43 4.316,44 5.15,45 5.319,46 4.376,47 4.337,48 6.365,49 4.31,50 5.115,51 5.304,52 4.132,53 4.255,54 6.268,55 4.189,56 0.08,57 0.731,58 10.209,59 5.504,60 9.708,61 6.243,62 0.626,63 1.291,64 22.266,65 9.389,66 47.783,67 10.919,68 0.61,69 1.637,70 30.261,71 12.699,72 56.761,73 15.161,74 0.62,75 1.8,76 35.372,77 14.242,78 67.102,79 17.497,80 0.978,81 1.824,82 39.067,83 14.566,84 97.634,85 17.719,86 0.987,87 1.769,88 37.583,89 14.026,90 80.705,91 16.257,92 0.981,93 1.798,94 37.397,95 14.227,96 103.489,97 17.072,98 1.062,99 1.724,100 37.977,101 13.591,102 109.643,103 16.269,104 12,105 55,106 0.245,107 0.6,108 0.812,109 0.859,110 0.879,111 0.885,112 3.504,113 0.883,114 -4.51,115 -4.44,116 -4.18,121 45.5,122 1,123 1,124 1,127 2,128 1,129 3,137 1,138 1,144 7,145 3,146 2,160 2,176 12,179 3,180 12,187 12,191 1,192 15,200 8,205 1,206 15,214 7,218 4,219 13,227 11,231 3,232 10,239 12,243 4,244 15,251 16,255 2,256 8,264 15,268 2,269 7,277 9,281 1736,282 21.963,283 21.963,284 21.963,285 21.963,286 21.963,287 20.006,288 27.281,289 12.759,290 22.379,291 18.346,292 18.346,293 18.346,294 18.346,295 18.346,296 15.225,297 35.859,298 6.133,299 19.019,300 4.285,301 2.114,302 0.821,303 0.537,304 0.414,305 0.377,306 4.226,311 1,312 1,313 681,314 3.674,317 92.846,318 219.681,321 228.161,322 160.024,323 92.324,325 1.25,326 40.936,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 70.5,338 300,339 4.586,340 3.826,341 7.175,342 4.399,343 3.426,344 4.137,345 2.454,346 12.657,347 3.335,348 4.265,349 3.644,350 6.351,351 3.925,352 2.967,353 3.681,354 1.674,355 9.748,356 2.843,357 4.14,358 3.62,359 6.255,360 3.8,361 2.827,362 3.553,363 1.392,364 9.338,365 2.759,366 3.802,367 3.322,368 5.998,369 3.592,370 2.639,371 3.125,372 1.058,373 8.456,374 2.49,375 3.741,376 3.006,377 5.935,378 3.474,379 2.504,380 2.84,381 0.828,382 8.305,383 2.408,384 3.466,385 2.905,386 5.365,387 3.153,388 2.182,389 2.634,390 0.671,391 6.603,392 2.096,393 3.252,394 2.387,395 5.116,396 2.863,397 1.888,398 2.462,399 0.532,400 5.871,401 1.84,402 3.163,403 2.228,404 4.692,405 2.825,406 1.846,407 2.272,408 0.155,409 5.05,410 1.79,411 3.046,412 2.155,413 4.499,414 2.698,415 1.707,416 2.131,418 4.392,419 1.678,420 2.668,421 1.987,422 4.291,423 2.434,424 1.49,425 1.676,427 4.101,428 1.397,429 2.569,430 1.737,431 3.847,432 2.12,433 1.147,434 1.536,436 2.818,437 1.111,438 2.5,439 1.607,440 3.801,441 2.094,442 1.101,443 1.5,445 2.462,446 1.086,447 2.206,448 1.323,449 3.48,450 2,451 1,452 1.186,454 2.412,455 1,456 2.001,457 1.25,458 3.444,459 1.907,460 0.929,461 0.975,463 2.136,464 0.903,465 1.884,466 1,467 3.247,468 1.647,469 0.701,470 0.791,472 1.961,473 0.653,474 14.9,475 0.466,476 0.849,477 0.027,478 38.75,479 1.211,480 17,481 0.531,482 21.75,483 0.68,484 31.212,485 0.975,486 34.3,487 0.624,488 31.609,489 0.988,490 7.668,491 0.24,492 7.912,493 0.247,494 0.078,496 0.43,501 0.751,502 1.237,503 0.683,504 1.116,505 0.57,506 0.927,507 0.89,508 0.991,509 0.86,510 0.919,511 0.532,512 0.879,513 0.979,514 1.103,515 1.033,516 1.076,517 0.801,518 1.067,519 0.964,520 1.101,521 0.979,522 1.094,523 0.915,524 1.049,525 1.068,526 0.972,527 0.935,528 0.972,529 1.101,530 0.933,531 1.309,532 0.945,533 1.041,534 0.925,535 1.202,536 0.925,537 1.062,538 1.04,539 0.959,540 1.025,541 1.179,542 0.979,543 1.268,544 0.908,545 1.205,546 0.928,547 1.611,548 1.024,549 6,550 0.109,551 3.333,552 2.229,553 2.372,554 1.452,555 1.199,556 0.819,557 0.478,558 0.267,559 12949,560 34864,561 2.21,562 41.8,564 15,565 2,568 3,569 2,570 1,572 1.756,573 2.087,574 3.169,575 -0.774,577 1,582 82.327,583 1.497,584 3.668,585 4.96,586 5.245,587 5.368,588 5.404,589 2.584,590 4.539,591 4.97,592 3.336,593 1654.6,594 8.761,595 22742.6,597 1,599 1,600 317.975,601 1.348,602 4.942,603 0.162,604 0.006,605 0.061,606 0.039,607 0.041,608 0.024,609 0.02,610 0.013,611 0.01,612 0.008,613 0.384,614 0.17,615 0.88,616 0.789,617 162.19,618 -0.028,619 -0.145,620 0.079,621 -0.079,622 -0.029,623 0.004,624 0.085,625 0.084,626 0.02,627 0.067,628 0.119,629 0.04,630 -0.077,631 -0.08,632 -0.124,633 -0.082,634 -0.053,635 -0.107,636 -0.062,637 -0.101,638 -0.031,639 -0.106,640 -0.049,641 -0.07,642 0.026,643 0.005,644 0.065,645 0.001,646 -0.001,647 0.033,648 -0.11,649 0.035,650 -0.046,651 0.047,652 -0.107,653 0.018,654 0.047,655 -0.055,656 0.025,657 -0.05,658 0.082,659 -0.024,660 -0.138,661 0.071,662 -0.192,663 0.037,664 -0.164,665 -0.064,666 2.095,667 6.055,668 0.781,669 27.391,670 1.014,671 1.115,672 3.282,673 10.77,674 0.675,675 3.638,676 4.025,677 4.382,678 4.771,679 5.106,680 5.361,681 5.663,682 5.927,683 6.098,684 6.26,685 5.851,686 0.656,687 433.49,688 3.638,689 5.22,690 6.116,691 7.041,692 7.962,693 8.899,694 9.833,695 10.776,696 11.717,697 12.665,698 1.8,701 1,715 7,720 5,722 12,732 1,739 2,741 55,743 15,744 2,745 37,747 60,748 25,749 12,750 5,751 7,752 1,756 6,757 19,763 1,767 4,768 1,770 4,772 16,773 9,774 1,777 3,782 2,784 1,786 3,790 1,793 23,794 7,796 7,802 1,808 0.333,809 6,828 2,829 4,832 3,833 2,834 1,846 1,849 1,850 1,855 1,859 2,864 1,868 32,876 4,878 4,880 4,881 1,893 10.9,896 2,898 4,901 15.333,902 10.2,903 6.75,904 3.371,907 2.56,908 1.283,909 1.004,910 4.827,911 11.602,912 3.85,913 4.419,914 4.949,915 5.503,916 6.038,917 6.326,918 6.747,919 7.123,920 7.459,921 7.783,922 1,923 57,924 11.983,926 5.446,927 0.026,929 7.771,931 22.892,933 20.125,936 2.271,937 72.667,940 1,941 270.735,942 135.643,943 3.124,945 94.289,948 135.643,949 365.025,950 3.124,951 8.825,952 13.396,953 75.81,954 64.673,955 70.353,956 23.542,957 247.193,959 270.735,960 138.767,961 94.289,964 235.422,965 129.603,968 25.346,969 103.946,970 9.476,972 270.735,973 97.414,974 135.643,977 270.735,978 51.008,979 87.759,981 94.289,982 270.735,983 97.414,984 135.643,986 0.592,987 0.347,988 0.203,989 0.118,990 31,991 13,992 0.083,993 5,994 5,995 1.36,996 4.151,997 336.863,998 0.4,999 24,1000 156,1005 19.981,1006 7.731,1007 3.378,1009 97.414,1010 12.938,1015 4.089,1018 503.792,1019 46,1024 24.994,1026 1.99,1028 0.404,1031 55.785,1032 61.322,1034 0.259,1035 0.634,1036 0.858,1037 0.907,1038 0.928,1039 0.935,1040 5.147,1041 1.846,1042 6.125,1043 5.871,1044 4.71,1045 5.106,1046 3.228,1047 7.013,1048 4.639,1049 6.341,1050 1.707,1051 7.723,1052 5.05,1053 4.369,1054 4.902,1055 2.283,1056 8.03,1057 4.27,1058 7.655,1059 1.49,1060 9.421,1061 4.392,1062 6.368,1063 7.185,1064 4.314,1065 11.209,1066 6.229,1067 8.998,1068 1.147,1069 11.18,1070 4.101,1071 6.858,1072 7.77,1073 4.278,1074 13.084,1075 6.688,1076 10.372,1077 1.101,1078 12.979,1079 2.818,1080 8.334,1081 9.562,1082 5.746,1083 15.794,1084 8.134,1085 11.769,1086 1,1087 14.806,1088 2.462,1089 9.204,1090 10.518,1091 6.178,1092 18.038,1093 8.975,1094 13.183,1095 0.929,1096 16.653,1097 2.412,1098 10.487,1099 12.106,1100 7.358,1101 20.605,1102 10.232,1103 3.426,1104 0.701,1105 18.517,1106 2.136,1107 11.536,1108 13.256,1109 8.025,1110 23.012,1111 11.253,1112 2.967,1113 12.657,1114 20.394,1115 1.961,1116 12.752,1117 14.748,1118 9.062,1119 25.542,1120 12.446,1121 2.827,1122 9.748,1123 22.283,1124 4.137,1125 13.884,1126 16.005,1127 9.847,1128 28.02,1129 13.552,1130 2.639,1131 9.338,1132 24.181,1133 3.681,1134 15.084,1135 17.45,1136 10.814,1137 30.545,1138 14.728,1139 2.504,1140 8.456,1141 26.087,1142 3.553,1143 16.257,1144 18.768,1145 11.656,1146 33.054,1147 15.875,1148 2.182,1149 8.305,1150 28.001,1151 3.125,1152 17.457,1153 20.19,1154 12.588,1155 35.582,1156 17.052,1157 1.888,1158 6.603,1159 29.922,1160 2.84,1161 18.651,1162 21.544,1163 13.458,1164 38.106,1165 18.221,1166 11845,1167 19548,1168 25.372,1169 37.108,1170 57.669,1171 59.433,1172 58.272,1173 57.101,1174 57.114,1175 69.465,1176 17.526,1177 173.723,1178 55.156,1179 5.569,1180 5.826,1181 6.977,1182 5.476,1183 5.426,1184 7.137,1185 4.223,1186 20.28,1187 5.335,1188 12.627,1189 1.559,1190 1.606,1191 1.575,1192 1.543,1193 1.544,1194 1.877,1195 0.474,1196 4.695,1197 1.491,1198 4.113,1199 4.139,1200 4.059,1201 4.02,1202 7.435,1203 4.025,1204 3.908,1205 3.929,1206 3.85,1207 3.84,1208 7.431,1209 3.837,1210 3.834,1211 3.849,1212 3.776,1213 3.721,1214 5.002,1215 3.729,1216 3.586,1217 3.614,1218 3.501,1219 3.353,1220 4.747,1221 3.378,1222 3.433,1223 3.465,1224 3.341,1225 3.221,1226 4.651,1227 3.24,1228 3.365,1229 3.397,1230 3.265,1231 3.157,1232 4.363,1233 3.177,1234 3.201,1235 3.209,1236 3.119,1237 2.995,1238 4.24,1239 3.024,1240 2.972,1241 3.032,1242 2.834,1243 2.842,1244 4.138,1245 2.831,1246 0.124,1247 0.103,1248 0.194,1249 0.119,1250 0.093,1251 4.586,1252 0.112,1253 3.826,1254 0.066,1255 7.175,1256 0.342,1257 4.399,1258 0.09,1259 3.426,1260 4.137,1261 2.454,1262 12.657,1263 3.335,1264 2,1265 1.981,1266 2.092,1267 2.101,1268 1.463,1269 2.098,1270 1.895,1271 1.872,1272 2.012,1273 1.982,1274 1.184,1275 1.991,1276 1.745,1277 1.721,1278 1.891,1279 1.875,1280 1.069,1281 1.878,1282 1.483,1283 1.425,1284 1.706,1285 1.694,1286 0.957,1287 1.699,1288 1.411,1289 1.374,1290 1.663,1291 1.658,1292 0.737,1293 1.654,1294 1.229,1295 1.2,1296 1.456,1297 1.522,1298 0.69,1299 1.491,1300 1.155,1301 1.128,1302 1.416,1303 1.466,1304 0.581,1305 1.439,1306 1.05,1307 1.01,1308 1.239,1309 1.275,1310 0.521,1311 1.268,1312 4.317,1314 5.687,1315 3.045,1316 7.253,1317 5.352,1318 8.923,1319 7.424,1320 10.656,1322 1.383,1328 2.803,1330 23.025,1332 -1.371,1333 2.411,1340 36.105,1341 82.327,1342 201.72,1343 272.814,1344 288.465,1345 295.22,1346 297.22,1347 55.242,1348 9.042,1349 74.3,1350 74.3,1351 34,1352 13.157,1353 4,1354 3.322,1355 40.861,1356 108,1357 128,1358 0.181,1359 210.644,1360 385.08,1361 505.731,1362 113473,1364 21.819,1365 0.682,1366 0.552,1367 21.819,1368 17.653,1369 15.581,1370 0.421,1371 0.294,1372 10.701,1373 14.849,1374 10.502,1375 8.537,1376 15.581,1377 10.886,1378 14.735,1379 0.268,1380 0.157,1381 14.735,1382 8.647,1383 12.722,1384 0.161,1385 0.086,1386 12.722,1387 6.779,1388 11.665,1389 0.1,1390 0.047,1391 11.665,1392 5.513,1393 10.052,1394 0.061,1395 0.026,1396 10.052,1397 4.237,1398 0.271,1399 98.662,1400 0.199,1401 28.837,1402 0.542,1403 184,1404 568.058,1405 206.785,1406 523.581,1407 716.4,1408 494,1409 226,1410 524.374,1411 248.488,1412 520.941,1413 781.01,1414 491,1415 6.013}
{0 CHEMBL122575,1 1.61,2 11.423,3 2.776,4 7.707,5 91.878,6 8.054,7 0.429,8 3.895,9 3.99,10 3.508,11 3.413,12 5.123,13 3.424,14 4.381,15 4.515,16 3.842,17 3.752,18 5.699,19 3.738,20 4.625,21 4.795,22 3.881,23 3.822,24 5.846,25 3.805,26 4.675,27 4.856,28 3.804,29 3.707,30 6.097,31 3.697,32 4.513,33 4.71,34 3.697,35 3.677,36 5.708,37 3.649,38 4.542,39 4.729,40 3.718,41 3.684,42 5.866,43 3.659,44 4.488,45 4.68,46 3.643,47 3.65,48 5.743,49 3.615,50 4.461,51 4.659,52 3.548,53 3.574,54 5.697,55 3.532,56 0.121,57 0.609,58 7.738,59 3.973,60 15.708,61 4.546,62 0.469,63 0.936,64 14.557,65 6.366,66 44.921,67 7.777,68 0.428,69 1.107,70 20.805,71 8.013,72 54.299,73 9.805,74 1.038,75 1.093,76 24.603,77 7.194,78 129.501,79 8.652,80 0.454,81 0.997,82 19.774,83 6.844,84 64.703,85 8.703,86 0.69,87 1.002,88 20.678,89 6.789,90 75.61,91 8.426,92 0.438,93 0.945,94 19.254,95 6.968,96 59.406,97 8.693,98 0.586,99 0.873,100 19.858,101 6.762,102 79.715,103 8.341,104 27,105 39,106 0.278,107 0.624,108 0.763,109 0.844,110 0.855,111 0.855,112 3.304,113 0.87,114 -4.12,115 -4.07,116 -3.85,121 43.2,122 1,124 1,127 1,130 1,144 9,145 2,146 1,160 2,161 1,170 1,174 1,176 11,177 1,179 3,180 6,183 3,185 2,187 10,188 2,192 7,197 4,200 5,201 2,205 3,206 8,209 2,211 5,214 2,219 7,220 1,224 2,227 4,231 1,232 11,235 1,237 2,239 4,244 10,245 1,249 2,251 4,252 1,255 1,256 7,259 1,261 2,264 6,265 1,269 3,270 2,274 1,275 1,277 9,281 1124,282 17.259,283 17.259,284 17.259,285 17.259,286 17.259,287 15.404,288 18.351,289 10.129,290 17.488,291 13.759,292 13.759,293 13.759,294 13.759,295 13.759,296 10.913,297 21.324,298 4.784,299 14.129,300 3.85,301 1.851,302 1.046,303 0.58,304 0.517,305 0.517,306 3.979,310 1,311 1,312 1,313 626,314 3.536,316 71.537,318 190.409,325 1.917,326 39.198,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 58,338 297,339 4.465,340 4.092,341 7.078,342 4.306,343 3.354,344 3.767,345 1.988,346 12.104,347 3.192,348 4.159,349 3.576,350 5.93,351 3.774,352 2.779,353 3.615,354 1.624,355 8.234,356 2.756,357 3.902,358 3.419,359 5.573,360 3.53,361 2.539,362 3.443,363 1.437,364 7.162,365 2.516,366 3.694,367 2.969,368 5.36,369 3.31,370 2.358,371 3.03,372 1.047,373 6.946,374 2.227,375 3.492,376 2.722,377 5.315,378 3.171,379 2.175,380 2.639,381 0.565,382 6.458,383 2.147,384 2.915,385 2.391,386 4.811,387 2.495,388 1.503,389 2.079,390 0.221,391 4.444,392 1.491,393 2.866,394 1.915,395 4.22,396 2.469,397 1.489,398 1.873,400 3.286,401 1.432,402 2.669,403 1.647,404 3.781,405 2.2,406 1.195,407 1.613,409 2.906,410 1.179,411 2.5,412 1.512,413 3.61,414 2,415 1.039,416 1.5,418 2.791,419 1,420 2.5,421 1.074,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.13,430 1.004,431 3.247,432 1.999,433 1,434 1.1,436 2.136,437 0.991,438 1.751,439 1,440 3.051,441 1.447,442 0.461,443 0.551,445 1.05,446 0.449,447 1.399,448 1,449 2.835,450 0.997,451 0.029,452 0.036,454 0.074,455 0.027,456 0.919,457 0.467,458 2.21,459 0.518,460 -0.475,461 -0.58,463 -1.13,464 -0.461,465 0.787,466 0.078,467 2,468 0.4,469 -0.62,470 -0.826,472 -1.357,473 -0.628,474 11.967,475 0.46,476 0.703,477 0.027,478 33.75,479 1.298,480 17,481 0.654,482 16.75,483 0.644,484 18.719,485 0.72,486 28.233,487 0.642,488 26.616,489 1.024,490 7.012,491 0.27,492 5.457,493 0.21,494 0.153,496 0.368,501 0.759,502 1.267,503 0.725,504 1.066,505 0.643,506 0.915,507 0.546,508 0.997,509 0.815,510 1.043,511 0.496,512 1.01,513 1.025,514 1.299,515 0.955,516 1.218,517 0.844,518 1.097,519 1.331,520 0.918,521 1.196,522 0.844,523 1.229,524 0.948,525 1.032,526 1.122,527 0.958,528 1,529 0.969,530 0.957,531 1.086,532 0.955,533 1.052,534 0.895,535 1.074,536 0.936,537 1.052,538 1.084,539 0.993,540 1.062,541 1.085,542 1.017,543 1.169,544 0.818,545 1.041,546 0.88,547 1.286,548 0.922,549 5,550 0.045,551 3.111,552 2.375,553 1.507,554 1.049,555 0.609,556 0.392,557 0.366,558 0.248,559 8192,560 26607,561 2.014,562 40.9,563 3,564 11,565 1,567 2,568 1,572 1.69,573 1.857,574 3.476,575 0.289,576 1,577 1,579 1,582 70.836,583 1.61,584 3.608,585 4.413,586 4.88,587 4.942,588 4.942,589 2.955,590 3.609,591 4.668,592 3.653,593 1187.12,594 8.087,595 15268.6,597 1,599 1,600 240.215,601 1.502,602 4.615,603 0.179,604 0.003,605 0.084,606 0.064,607 0.047,608 0.034,609 0.02,610 0.014,611 0.014,612 0.011,613 0.468,614 0.33,615 1,616 0.819,617 128.857,618 -0.082,619 -0.111,620 0.017,621 -0.018,622 -0.08,623 0.018,624 0.249,625 0.114,626 0.024,627 -0.04,628 0.128,629 -0.071,630 -0.098,631 -0.3,632 -0.02,633 -0.231,634 -0.048,635 -0.129,636 -0.025,637 0.08,638 -0.151,639 0.059,640 -0.02,641 -0.051,642 -0.13,643 -0.11,644 0.011,645 -0.04,646 -0.074,647 0.014,648 -0.04,649 0.06,650 -0.064,651 0.048,652 -0.036,653 0.007,654 -0.124,655 -0.104,656 -0.023,657 -0.084,658 -0.079,659 -0.034,660 -0.101,661 0.124,662 -0.023,663 0.09,664 -0.161,665 0.06,666 2.703,667 5.335,668 0.615,669 25.609,670 1.021,671 1.122,672 2.89,673 8.352,674 0.668,675 3.367,676 3.689,677 3.951,678 4.111,679 4.263,680 4.248,681 4.304,682 4.431,683 4.585,684 4.554,685 6.738,686 0.655,687 354.39,688 3.367,689 4.905,690 5.753,691 6.627,692 7.496,693 8.379,694 9.259,695 10.148,696 11.036,697 11.932,698 4.5,705 2,715 9,720 3,722 12,731 1,739 1,741 44,742 1,743 15,744 2,745 28,747 46,748 19,749 12,750 3,751 9,752 1,756 3,757 3,761 1,763 1,768 1,772 15,773 4,774 1,777 3,782 3,786 3,789 1,790 1,793 18,794 7,795 2,796 7,802 2,805 1,808 1,809 5,827 1,829 2,857 1,859 3,864 1,868 26,875 1,876 1,877 1,878 1,880 2,881 1,893 11.4,895 1,896 3,898 1,901 14,902 7.983,903 5.75,904 2.508,907 2.023,908 1.288,909 0.934,910 5.354,911 9.045,912 3.638,913 4.159,914 4.625,915 5.034,916 5.445,917 5.438,918 5.609,919 5.787,920 6.167,921 6.334,922 0.875,923 37,924 9.664,926 4.222,927 0.026,929 8.16,931 17.683,933 14.338,936 2.66,937 69.167,940 1,941 188.338,942 117.722,943 21.135,945 129.118,948 117.722,949 317.456,950 21.135,951 8.825,952 23.241,953 85.286,954 123.733,955 22.614,956 16.047,957 176.567,959 188.338,960 138.857,961 129.118,964 188.338,965 129.118,968 32.066,969 106.791,972 188.338,973 150.253,974 117.722,977 188.338,978 23.611,979 97.236,980 18.011,981 129.118,982 188.338,983 150.253,984 117.722,986 0.585,987 0.344,988 0.17,989 0.088,990 18,991 9,992 0.109,993 5,995 1,996 3.845,997 207.226,999 16,1000 114.211,1005 18.113,1006 7.686,1007 3.953,1009 150.253,1010 15.169,1015 1.441,1017 60.694,1018 456.313,1019 37,1024 35.281,1028 -1.877,1031 44.909,1032 49.365,1034 0.295,1035 0.661,1036 0.808,1037 0.894,1038 0.905,1039 0.905,1040 4.875,1041 1.195,1042 5.746,1043 3.286,1044 4.369,1045 4.844,1046 2.945,1047 6.564,1048 4.315,1049 6.063,1050 1.039,1051 7.318,1052 2.906,1053 4.007,1054 4.559,1055 2.029,1056 7.516,1057 3.923,1058 7.359,1059 1,1060 8.994,1061 2.791,1062 5.989,1063 6.895,1064 3.736,1065 10.684,1066 5.864,1067 8.688,1068 1,1069 10.734,1070 2.275,1071 6.479,1072 7.373,1073 3.516,1074 12.542,1075 6.312,1076 10.049,1077 0.461,1078 12.518,1079 2.136,1080 7.943,1081 9.212,1082 4.739,1083 15.26,1084 7.736,1085 11.432,1086 0.029,1087 14.333,1088 1.05,1089 8.815,1090 10.029,1091 4.909,1092 17.496,1093 8.556,1094 12.832,1095 -0.475,1096 16.175,1097 0.074,1098 10.091,1099 11.652,1100 5.876,1101 20.071,1102 9.79,1103 3.354,1104 -0.62,1105 18.036,1106 -1.13,1107 11.14,1108 12.648,1109 6.273,1110 22.461,1111 10.781,1112 2.779,1113 12.104,1114 19.915,1115 -1.357,1116 12.353,1117 14.155,1118 7.102,1119 24.986,1120 11.946,1121 2.539,1122 8.234,1123 21.808,1124 3.767,1125 13.483,1126 15.256,1127 7.629,1128 27.437,1129 13.018,1130 2.358,1131 7.162,1132 23.713,1133 3.615,1134 14.679,1135 16.693,1136 8.386,1137 29.943,1138 14.163,1139 2.175,1140 6.946,1141 25.627,1142 3.443,1143 15.847,1144 17.862,1145 8.984,1146 32.42,1147 15.273,1148 1.503,1149 6.458,1150 27.549,1151 3.03,1152 17.042,1153 19.254,1154 9.705,1155 34.918,1156 16.415,1157 1.489,1158 4.444,1159 29.478,1160 2.639,1161 18.229,1162 20.469,1163 10.343,1164 37.405,1165 17.545,1166 8033,1167 14605,1168 18.205,1169 29.375,1170 42.531,1171 44.44,1172 44.024,1173 41.858,1174 41.845,1175 53.493,1176 13.761,1177 119.729,1178 40.814,1179 5.465,1180 6.092,1181 6.88,1182 5.393,1183 5.354,1184 6.767,1185 3.424,1186 20.104,1187 5.192,1188 14.636,1189 1.519,1190 1.587,1191 1.572,1192 1.495,1193 1.494,1194 1.91,1195 0.491,1196 4.276,1197 1.458,1198 3.99,1199 4.017,1200 3.939,1201 3.875,1202 7.475,1203 3.881,1204 3.903,1205 3.931,1206 3.835,1207 3.836,1208 7.444,1209 3.832,1210 3.84,1211 3.868,1212 3.785,1213 3.685,1214 7.412,1215 3.707,1216 3.414,1217 3.478,1218 3.32,1219 3.173,1220 6.351,1221 3.195,1222 3.289,1223 3.27,1224 3.246,1225 3.022,1226 4.832,1227 3.074,1228 3.058,1229 3.137,1230 2.893,1231 2.844,1232 4.753,1233 2.851,1234 2.854,1235 2.925,1236 2.689,1237 2.735,1238 4.348,1239 2.715,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 4.048,1245 2.715,1246 0.159,1247 0.146,1248 0.253,1249 0.154,1250 0.12,1251 4.465,1252 0.135,1253 4.092,1254 0.071,1255 7.078,1256 0.432,1257 4.306,1258 0.114,1259 3.354,1260 3.767,1261 1.988,1262 12.104,1263 3.192,1264 1.915,1265 1.89,1266 2.042,1267 2.066,1268 1.243,1269 2.045,1270 1.9,1271 1.877,1272 2.004,1273 1.995,1274 1.148,1275 2.006,1276 1.783,1277 1.749,1278 1.924,1279 1.939,1280 1.058,1281 1.935,1282 1.336,1283 1.269,1284 1.571,1285 1.609,1286 0.688,1287 1.6,1288 1.114,1289 1.121,1290 1.367,1291 1.43,1292 0.477,1293 1.372,1294 1.027,1295 0.958,1296 1.187,1297 1.309,1298 0.218,1299 1.31,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.15,1311 1.107,1312 4.043,1314 5.398,1316 6.965,1318 8.621,1320 10.325,1322 1.68,1327 8.913,1328 0.303,1329 2.7,1330 5.705,1332 -1.189,1333 1.04,1340 28.831,1341 70.836,1342 158.75,1343 194.176,1344 214.705,1345 217.46,1346 217.46,1347 64.014,1348 7.022,1349 95.94,1350 95.94,1351 16,1352 12.459,1353 4,1354 3.322,1355 44.398,1356 102,1357 102,1358 0.207,1359 178.068,1360 320.57,1361 426.246,1362 10253,1364 18.681,1365 0.719,1366 0.542,1367 18.681,1368 14.085,1369 12.469,1370 0.445,1371 0.29,1372 7.989,1373 11.932,1374 7.827,1375 6.48,1376 12.469,1377 8.12,1378 11.279,1379 0.289,1380 0.153,1381 11.279,1382 5.979,1383 9.458,1384 0.185,1385 0.082,1386 9.458,1387 4.173,1388 7.179,1389 0.12,1390 0.043,1391 7.179,1392 2.578,1393 5.483,1394 0.078,1395 0.023,1396 5.483,1397 1.634,1398 0.329,1399 78.895,1400 0.234,1401 25.45,1402 0.559,1403 134,1404 471.07,1405 152.143,1406 443.195,1407 584.39,1408 410,1409 157,1410 412.866,1411 174.621,1412 411.796,1413 604.55,1414 387,1415 4}
{0 CHEMBL122834,1 1.436,2 10.407,3 4.869,4 23.711,5 107.816,6 6.769,7 0.4,8 4.075,9 4.203,10 3.573,11 3.597,12 5.079,13 3.563,14 4.657,15 4.852,16 3.988,17 4.035,18 5.627,19 3.982,20 4.912,21 5.107,22 4.084,23 4.24,24 5.813,25 4.156,26 5.103,27 5.352,28 4.009,29 4.279,30 5.983,31 4.158,32 5.08,33 5.331,34 3.836,35 4.16,36 6.014,37 4.009,38 4.983,39 5.285,40 3.613,41 3.877,42 5.857,43 3.735,44 4.483,45 4.692,46 3.524,47 3.631,48 5.548,49 3.563,50 4.399,51 4.595,52 3.476,53 3.641,54 5.503,55 3.564,56 0.039,57 0.786,58 12.459,59 5.066,60 9.119,61 7.086,62 0.406,63 1.311,64 23.733,65 8.436,66 34.019,67 12.241,68 0.197,69 1.647,70 30.334,71 11.396,72 26.798,73 16.292,74 0.341,75 1.864,76 37.962,77 12.859,78 41.887,79 19.074,80 0.349,81 1.673,82 37.455,83 13.363,84 53.372,85 19.098,86 0.535,87 1.323,88 35.837,89 11.445,90 64.224,91 16.299,92 0.375,93 0.915,94 21.036,95 6.919,96 39.967,97 9.317,98 0.335,99 0.917,100 18.943,101 6.229,102 38.911,103 8.646,104 27,105 45,106 0.239,107 0.564,108 0.772,109 0.87,110 0.882,111 0.882,112 3.34,113 0.958,114 -4.75,115 -4.66,116 -4.38,121 40.7,122 2,123 2,125 1,126 2,127 1,130 1,144 7,145 2,146 3,161 1,176 11,179 2,180 7,183 2,185 2,187 12,192 8,197 3,200 10,206 9,211 4,214 6,218 1,219 11,224 2,227 3,231 1,232 5,237 1,239 4,243 1,244 2,247 1,249 2,251 10,255 1,259 1,264 12,269 2,277 11,281 1024,282 18.057,283 18.057,284 18.057,285 18.057,286 18.057,287 16.49,288 26.604,289 10.248,290 18.417,291 14.698,292 14.698,293 14.698,294 14.698,295 14.698,296 12.226,297 35.698,298 4.725,299 15.277,300 4.319,301 2.371,302 1.124,303 0.537,304 0.463,305 0.463,306 4.031,311 1,312 1,313 613,314 3.606,317 105.044,318 146.967,320 84.76,321 89.553,324 125.4,325 1.547,326 18.911,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 57.5,338 281,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 4.217,349 3.68,350 6.211,351 3.851,352 2.875,353 3.813,354 0.966,355 9.097,356 2.809,357 3.971,358 2.973,359 6.169,360 3.626,361 2.667,362 3.314,363 0.693,364 8.824,365 2.554,366 3.657,367 2.815,368 6.153,369 3.386,370 2.447,371 2.871,372 0.366,373 8.457,374 2.283,375 3.466,376 2.742,377 5.443,378 3.278,379 2.343,380 2.594,382 7.152,383 2.176,384 3.297,385 2.502,386 4.881,387 2.95,388 1.983,389 2.424,391 5.512,392 1.9,393 2.917,394 1.803,395 4.716,396 2.522,397 1.535,398 2.088,400 4.411,401 1.517,402 2.832,403 1.745,404 4.243,405 2.437,406 1.479,407 1.945,409 3.815,410 1.411,411 2.615,412 1.494,413 4.205,414 2.355,415 1.369,416 1.629,418 3.06,419 1.341,420 2.517,421 1.171,422 3.722,423 2.127,424 1.133,425 1.521,427 3.004,428 1.126,429 1.786,430 0.933,431 3.616,432 1.695,433 0.73,434 0.762,436 1.822,437 0.702,438 1.73,439 0.751,440 3.088,441 1.526,442 0.531,443 0.616,445 0.904,446 0.527,447 1.242,448 0.631,449 2.996,450 0.968,451 0.047,452 0.053,454 0.112,455 0.043,456 1.139,457 0.285,458 2.717,459 0.774,460 -0.218,461 -0.256,463 -0.476,464 -0.212,465 0.762,466 -0.017,467 2.584,468 0.638,469 -0.307,470 -0.335,472 -0.75,473 -0.289,474 12.867,475 0.477,476 0.822,477 0.03,478 32.75,479 1.213,480 15,481 0.556,482 17.75,483 0.657,484 25.503,485 0.945,486 29.733,487 0.551,488 24.148,489 0.894,490 6.146,491 0.228,492 6.79,493 0.251,494 0.181,495 0.039,496 0.334,501 0.812,502 1.441,503 0.864,504 1.184,505 0.639,506 1.049,507 0.704,508 0.9,509 0.81,510 0.81,511 0.405,512 0.806,513 0.984,514 1.331,515 1.029,516 1.188,517 0.71,518 1.126,519 1.045,520 1.047,521 1.094,522 1.057,523 0.697,524 1.06,525 1.107,526 1.169,527 1.118,528 1.251,529 1.265,530 1.199,531 1.621,532 0.629,533 0.81,534 0.642,535 1.592,536 0.645,537 2.13,538 0.884,539 1.111,540 0.855,541 2.313,542 0.885,543 1.875,544 0.919,545 1.28,546 0.935,547 2.644,548 1.026,549 6.5,550 0.212,551 4.222,552 3.646,553 1.708,554 0.882,555 0.612,556 0.3,557 0.286,558 0.256,559 8829,560 18409,561 2.066,562 50,563 8,564 15,565 1,567 1,569 2,572 1.699,573 1.895,574 3.323,575 -0.382,582 77.52,583 1.436,584 3.384,585 4.631,586 5.217,587 5.292,588 5.292,589 2.707,590 4.505,591 4.73,592 3.513,593 1232.91,594 8.199,595 15709.8,597 1,600 310.764,601 1.675,602 4.66,603 0.217,604 0.009,605 0.094,606 0.076,607 0.041,608 0.028,609 0.023,610 0.012,611 0.011,612 0.011,613 0.521,614 0.33,615 1,616 0.803,617 133.333,618 0.003,619 -0.213,620 0.075,621 -0.076,622 -0.045,623 -0.006,624 0.291,625 0.256,626 0.171,627 0.202,628 0.242,629 0.18,630 -0.061,631 -0.235,632 -0.067,633 -0.15,634 -0.007,635 -0.118,636 -0.103,637 -0.001,638 -0.113,639 -0.094,640 0.052,641 -0.094,642 0.011,643 -0.223,644 -0.128,645 -0.271,646 -0.031,647 -0.222,648 -0.031,649 0.174,650 0.248,651 0.273,652 -0.033,653 0.289,654 -0.143,655 0.075,656 -0.034,657 0.113,658 -0.184,659 0.05,660 -0.2,661 0.154,662 -0.235,663 0.037,664 -0.295,665 -0.088,666 2.118,667 5.422,668 0.667,669 22.442,670 0.992,671 1.128,672 3.52,673 12.394,674 0.649,675 3.434,676 3.829,677 4.174,678 4.511,679 4.7,680 4.762,681 4.927,682 4.997,683 5.004,684 5.088,685 6.328,686 0.608,687 365.52,688 3.434,689 5.017,690 5.911,691 6.841,692 7.756,693 8.694,694 9.621,695 10.565,696 11.501,697 12.449,698 5.6,701 1,704 1,705 1,715 7,720 5,722 12,736 1,737 1,741 54,743 13,744 2,745 30,747 57,748 22,749 12,750 5,751 7,756 4,757 7,763 2,764 1,766 1,767 1,770 2,772 13,773 9,777 1,782 1,786 1,793 27,794 5,795 1,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 4,868 27,876 3,877 1,878 1,880 1,881 2,882 1,893 3.7,896 1,898 1,901 14.25,902 10.9,903 5.847,904 3.399,907 2.24,908 1.29,909 0.963,910 4.647,911 9.971,912 3.638,913 4.22,914 4.762,915 5.314,916 5.79,917 5.944,918 6.269,919 6.522,920 6.652,921 6.869,922 0.857,923 48,924 10.022,926 4.292,927 0.026,929 7.577,931 19.595,933 16.643,936 2.077,937 56.083,939 1,940 1,941 306.049,942 131.842,943 24.259,945 36.145,948 131.842,949 342.193,950 24.259,951 34.443,952 25.186,953 66.334,954 25.145,955 34.377,956 18.534,957 294.278,959 306.049,960 156.102,961 36.145,964 282.506,965 59.687,968 45.96,969 110.141,972 306.049,973 60.404,974 131.842,977 306.049,978 31.065,979 107.026,980 18.011,981 36.145,982 306.049,983 60.404,984 131.842,986 0.595,987 0.369,988 0.21,989 0.108,990 24,991 11,992 0.07,993 4,994 2,995 1.222,996 3.782,997 241.612,998 0.222,999 18,1000 128.382,1005 18.33,1006 6.844,1007 3.01,1009 60.404,1010 13.784,1015 4.964,1017 18.011,1018 498.295,1019 37,1024 12.422,1028 -0.451,1031 53.563,1032 60.896,1034 0.249,1035 0.588,1036 0.805,1037 0.907,1038 0.919,1039 0.919,1040 4.934,1041 1.479,1042 5.958,1043 4.411,1044 4.511,1045 4.905,1046 2.466,1047 6.905,1048 4.437,1049 6.156,1050 1.369,1051 7.609,1052 3.815,1053 4.369,1054 4.808,1055 1.905,1056 8.278,1057 4.268,1058 7.497,1059 1.133,1060 9.378,1061 3.06,1062 6.267,1063 7.04,1064 3.531,1065 11.446,1066 6.133,1067 8.876,1068 0.73,1069 11.224,1070 3.004,1071 6.967,1072 7.713,1073 3.612,1074 13.722,1075 6.819,1076 10.291,1077 0.531,1078 13.122,1079 1.822,1080 8.416,1081 9.489,1082 4.913,1083 16.542,1084 8.245,1085 11.733,1086 0.047,1087 15.06,1088 0.904,1089 9.48,1090 10.519,1091 5.293,1092 19.134,1093 9.298,1094 13.198,1095 -0.218,1096 17.029,1097 0.112,1098 10.803,1099 12.109,1100 6.388,1101 21.88,1102 10.602,1103 3.737,1104 -0.307,1105 19.022,1106 -0.476,1107 12.016,1108 13.318,1109 6.931,1110 24.568,1111 11.801,1112 2.875,1113 15.306,1114 21.034,1115 -0.75,1116 13.316,1117 14.821,1118 7.902,1119 27.3,1120 13.083,1121 2.667,1122 9.097,1123 23.062,1124 4.206,1125 14.588,1126 16.126,1127 8.539,1128 30.016,1129 14.338,1130 2.447,1131 8.824,1132 25.101,1133 3.813,1134 15.89,1135 17.587,1136 9.436,1137 32.745,1138 15.62,1139 2.343,1140 8.457,1141 27.149,1142 3.314,1143 17.187,1144 18.944,1145 10.13,1146 35.469,1147 16.898,1148 1.983,1149 7.152,1150 29.205,1151 2.871,1152 18.494,1153 20.384,1154 10.981,1155 38.198,1156 18.185,1157 1.535,1158 5.512,1159 31.266,1160 2.594,1161 19.801,1162 21.77,1163 11.71,1164 40.925,1165 19.472,1166 8425,1167 12309,1168 19.592,1169 35.063,1170 46.095,1171 46.904,1172 48.905,1173 45.735,1174 45.75,1175 55.669,1176 8.422,1177 142.95,1178 44.089,1179 5.797,1180 5.973,1181 7.7,1182 5.806,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 14.732,1189 1.536,1190 1.563,1191 1.63,1192 1.525,1193 1.525,1194 1.856,1195 0.281,1196 4.765,1197 1.47,1198 4.093,1199 4.131,1200 4.04,1201 3.997,1202 7.435,1203 4.003,1204 3.937,1205 3.971,1206 3.874,1207 3.867,1208 4.843,1209 3.864,1210 3.7,1211 3.742,1212 3.617,1213 3.563,1214 4.738,1215 3.566,1216 3.411,1217 3.478,1218 3.34,1219 3.242,1220 4.445,1221 3.216,1222 3.377,1223 3.433,1224 3.179,1225 3.113,1226 4.143,1227 3.158,1228 3.272,1229 3.362,1230 3.101,1231 3.046,1232 4.021,1233 3.042,1234 3.227,1235 3.31,1236 3.036,1237 2.995,1238 3.928,1239 3.006,1240 2.976,1241 3.093,1242 2.71,1243 2.761,1244 3.887,1245 2.727,1246 0.161,1247 0.132,1248 0.267,1249 0.157,1250 0.125,1251 4.832,1252 0.14,1253 3.973,1254 0.073,1255 8.006,1256 0.51,1257 4.714,1258 0.122,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.928,1265 1.901,1266 2.051,1267 2.03,1268 1.31,1269 2.035,1270 1.899,1271 1.878,1272 2.003,1273 1.982,1274 1.211,1275 1.99,1276 1.633,1277 1.577,1278 1.832,1279 1.836,1280 1.057,1281 1.837,1282 1.534,1283 1.453,1284 1.787,1285 1.755,1286 1.012,1287 1.775,1288 1.423,1289 1.346,1290 1.738,1291 1.629,1292 0.841,1293 1.668,1294 1.255,1295 1.204,1296 1.58,1297 1.557,1298 0.644,1299 1.545,1300 1.152,1301 1.081,1302 1.453,1303 1.443,1304 0.563,1305 1.434,1306 1.014,1307 0.899,1308 1.315,1309 1.291,1310 0.347,1311 1.353,1312 4.111,1314 5.485,1315 3.045,1316 7.06,1317 5.638,1318 8.734,1319 7.921,1320 10.465,1322 8.698,1328 3.032,1329 2.87,1330 5.616,1332 0.355,1333 4.735,1334 0.059,1340 32.815,1341 77.52,1342 182.75,1343 250.093,1344 281.744,1345 285.744,1346 285.744,1347 41.731,1348 7.731,1349 44.81,1350 44.81,1351 22,1352 12.942,1353 3.807,1354 3,1355 40.369,1356 104,1357 93,1358 0.193,1359 200.112,1360 350.02,1361 480.033,1362 24201,1364 19.181,1365 0.71,1366 0.609,1367 19.181,1368 16.451,1369 12.936,1370 0.431,1371 0.319,1372 9.458,1373 12.483,1374 9.079,1375 7.585,1376 12.936,1377 9.581,1378 12.146,1379 0.27,1380 0.174,1381 12.146,1382 7.837,1383 10.646,1384 0.166,1385 0.096,1386 10.646,1387 6.147,1388 9.55,1389 0.106,1390 0.053,1391 9.55,1392 4.812,1393 7.354,1394 0.067,1395 0.029,1396 7.354,1397 3.132,1398 0.302,1399 80.698,1400 0.226,1401 25.743,1402 0.529,1403 150,1404 371.094,1405 163.359,1406 359.894,1407 504.39,1408 338,1409 184,1410 386.092,1411 197.808,1412 392.997,1413 582.37,1414 368,1415 8}
{0 CHEMBL122983,1 1.486,2 12.345,3 4.458,4 19.874,5 109.224,6 7.173,7 0.387,8 4.079,9 4.193,10 3.603,11 3.615,12 5.19,13 3.588,14 4.611,15 4.785,16 3.963,17 3.984,18 5.697,19 3.937,20 4.88,21 5.056,22 4.041,23 4.108,24 6.043,25 4.048,26 5.035,27 5.271,28 3.95,29 4.032,30 6.294,31 3.96,32 4.747,33 4.941,34 3.866,35 4,36 5.858,37 3.923,38 4.885,39 5.119,40 3.824,41 3.991,42 6.012,43 3.896,44 4.752,45 4.989,46 3.753,47 3.834,48 5.875,49 3.761,50 4.594,51 4.786,52 3.636,53 3.712,54 5.755,55 3.669,56 0.018,57 0.752,58 11.492,59 5.282,60 9.379,61 6.865,62 0.336,63 1.185,64 21.629,65 8.693,66 33.647,67 11.666,68 0.183,69 1.453,70 28.855,71 10.995,72 46.495,73 14.528,74 1.103,75 1.515,76 38.279,77 11.067,78 167.674,79 15.128,80 0.208,81 1.309,82 25.398,83 9.5,84 45.401,85 12.938,86 0.478,87 1.395,88 31.134,89 10.433,90 78.134,91 14.492,92 0.288,93 1.188,94 27.323,95 9.264,96 63.299,97 12.737,98 0.52,99 0.981,100 23.66,101 7.496,102 70.203,103 9.433,104 52,105 45,106 0.246,107 0.554,108 0.689,109 0.78,110 0.788,111 0.788,112 3.407,113 0.933,114 -4.95,115 -4.86,116 -4.55,121 41.8,122 4,124 1,125 1,127 1,130 1,144 9,145 2,146 1,159 1,160 1,161 1,176 14,179 3,180 7,183 2,185 1,187 14,192 10,197 2,200 10,205 3,206 8,209 2,211 3,214 10,219 7,224 2,227 10,231 1,232 12,237 2,239 4,244 13,249 2,251 4,255 1,256 8,261 1,264 7,269 6,277 13,281 1502,282 18.731,283 18.731,284 18.731,285 18.731,286 18.731,287 16.967,288 22.139,289 10.769,290 18.934,291 15.22,292 15.22,293 15.22,294 15.22,295 15.22,296 12.431,297 28.275,298 5.09,299 15.531,300 4.296,301 2.433,302 1.619,303 1.069,304 1.019,305 1.019,306 4.079,311 1,312 1,313 747,314 4.301,316 82.446,318 217.898,325 2.174,326 37.31,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 63,338 358,339 4.498,340 4.092,341 7.182,342 4.363,343 3.357,344 3.883,345 1.988,346 12.104,347 3.394,348 4.461,349 3.942,350 7.078,351 4.306,352 3.345,353 3.631,354 1.624,355 11.845,356 3.192,357 3.936,358 3.419,359 5.635,360 3.565,361 2.592,362 3.444,363 1.277,364 7.571,365 2.527,366 3.899,367 2.976,368 5.554,369 3.525,370 2.533,371 3.332,372 1.047,373 7.09,374 2.512,375 3.511,376 2.722,377 5.334,378 3.201,379 2.218,380 2.677,381 0.565,382 6.801,383 2.167,384 3.426,385 2.574,386 5.299,387 3.11,388 2.127,389 2.614,390 0.221,391 6.419,392 2.069,393 2.915,394 2.355,395 4.805,396 2.495,397 1.503,398 2.079,400 4.415,401 1.491,402 2.771,403 1.895,404 4.22,405 2.423,406 1.436,407 1.73,409 3.285,410 1.393,411 2.5,412 1.647,413 3.853,414 2.013,415 1.045,416 1.5,418 2.803,419 1.003,420 2.5,421 1.512,422 3.61,423 2,424 1,425 1.5,427 2.275,428 1,429 2.442,430 1.074,431 3.414,432 2,433 1,434 1.24,436 2.254,437 1,438 2.13,439 1.002,440 3.247,441 1.925,442 0.867,443 1.096,445 2.136,446 0.907,447 1.751,448 1,449 3.07,450 1.445,451 0.457,452 0.549,454 1.043,455 0.446,456 1.397,457 1,458 2.867,459 0.987,460 0.009,461 0.012,463 0.024,464 0.009,465 0.919,466 0.157,467 2.467,468 0.513,469 -0.488,470 -0.606,472 -1.157,473 -0.479,474 13.633,475 0.47,476 0.991,477 0.034,478 35,479 1.207,480 17,481 0.586,482 18,483 0.621,484 26.271,485 0.906,486 31.967,487 0.581,488 28.257,489 0.974,490 6.768,491 0.233,492 6.913,493 0.238,494 0.22,495 0.037,496 0.323,501 0.664,502 1.319,503 0.808,504 1.155,505 0.568,506 1.026,507 0.595,508 0.941,509 0.778,510 0.961,511 0.565,512 0.911,513 1.098,514 1.412,515 1.063,516 1.355,517 0.949,518 1.229,519 1.512,520 0.721,521 1.068,522 0.664,523 1.577,524 0.768,525 0.97,526 1.273,527 1.058,528 1.196,529 0.928,530 1.146,531 1.091,532 1.014,533 1.031,534 0.987,535 1.055,536 0.99,537 1.132,538 1.016,539 0.869,540 0.978,541 1.083,542 0.891,543 1.987,544 0.76,545 1.21,546 0.756,547 1.56,548 0.841,549 7,550 0.215,551 4,552 2.875,553 1.827,554 1.132,555 0.811,556 0.424,557 0.415,558 0.367,559 10979,560 28354,561 1.965,562 47.3,563 12,564 11,565 1,567 1,568 1,572 1.718,573 1.785,574 3.571,575 -0.371,577 1,582 81.721,583 1.486,584 3.348,585 4.162,586 4.712,587 4.762,588 4.762,589 3.069,590 4.349,591 4.827,592 3.788,593 1538.08,594 8.398,595 21651,597 1,599 1,600 317.975,601 1.713,602 4.748,603 0.226,604 0.008,605 0.093,606 0.067,607 0.048,608 0.031,609 0.024,610 0.013,611 0.014,612 0.013,613 0.536,614 0.17,615 1,616 0.998,617 149.616,618 -0.019,619 -0.123,620 0.041,621 -0.047,622 -0.057,623 -0.001,624 0.227,625 0.169,626 0.143,627 0.074,628 0.056,629 0.084,630 -0.059,631 -0.377,632 -0.108,633 -0.339,634 -0.03,635 -0.25,636 0.025,637 0.225,638 0.015,639 0.237,640 -0.025,641 0.141,642 -0.086,643 -0.212,644 -0.116,645 -0.191,646 -0.058,647 -0.163,648 -0.032,649 -0.027,650 -0.031,651 -0.032,652 -0.024,653 -0.028,654 -0.038,655 -0.064,656 0.142,657 -0.017,658 0.009,659 0.08,660 -0.306,661 0.201,662 -0.14,663 0.192,664 -0.211,665 0.073,666 2.151,667 5.478,668 0.552,669 32.24,670 1.002,671 1.124,672 3.721,673 13.847,674 0.654,675 3.466,676 3.829,677 4.06,678 4.205,679 4.344,680 4.331,681 4.454,682 4.564,683 4.7,684 4.779,685 7.401,686 0.622,687 394.51,688 3.466,689 5.03,690 5.878,691 6.767,692 7.636,693 8.529,694 9.408,695 10.305,696 11.19,697 12.09,698 3.6,705 2,715 9,720 3,722 12,727 1,739 1,741 55,742 1,743 15,744 2,745 31,747 57,748 23,749 12,750 3,751 9,752 1,756 3,757 3,761 1,763 4,764 1,768 1,772 15,773 8,774 1,777 3,782 3,786 3,790 1,793 26,794 6,795 1,796 6,802 2,805 1,808 1,809 4,827 1,829 2,859 3,864 4,868 29,876 1,877 1,878 1,880 2,881 1,882 1,893 7.3,896 3,898 1,901 16.25,902 11.033,903 6.25,904 3.271,907 2.023,908 1.279,909 0.927,910 6.089,911 9.282,912 3.714,913 4.248,914 4.71,915 5.091,916 5.501,917 5.522,918 5.779,919 5.971,920 6.249,921 6.468,922 1,923 43,924 10.827,926 4.681,927 0.026,929 7.928,931 20.291,933 16.612,936 2.428,937 70.417,939 1,940 1,941 294.278,942 148.421,943 21.135,945 86.435,948 148.421,949 380.712,950 21.135,951 35.301,952 23.241,953 85.286,954 85.273,955 22.614,956 16.047,957 282.506,959 294.278,960 169.556,961 86.435,964 294.278,965 86.435,968 58.542,969 111.015,972 294.278,973 107.57,974 148.421,977 294.278,978 27.834,979 123.711,980 18.011,981 86.435,982 294.278,983 107.57,984 148.421,986 0.598,987 0.345,988 0.163,989 0.083,990 21,991 11,992 0.105,993 6,995 1,996 4.025,997 242.227,999 16,1000 128.127,1005 21.069,1006 8.381,1007 4.679,1009 107.57,1010 16.252,1015 2.041,1017 18.011,1018 550.269,1019 40,1024 37.033,1028 -0.722,1031 55.116,1032 61.817,1034 0.257,1035 0.579,1036 0.72,1037 0.815,1038 0.824,1039 0.824,1040 4.984,1041 1.436,1042 5.922,1043 4.415,1044 4.511,1045 4.934,1046 2.898,1047 6.79,1048 4.474,1049 6.199,1050 1.045,1051 7.535,1052 3.285,1053 4.369,1054 4.783,1055 2.029,1056 7.991,1057 4.331,1058 7.523,1059 1,1060 9.262,1061 2.803,1062 6.229,1063 7.01,1064 3.657,1065 11.071,1066 6.152,1067 8.879,1068 1,1069 11.056,1070 2.275,1071 6.889,1072 7.592,1073 3.516,1074 13.075,1075 6.816,1076 10.268,1077 0.867,1078 12.894,1079 2.254,1080 8.298,1081 9.358,1082 4.658,1083 15.762,1084 8.195,1085 11.678,1086 0.457,1087 14.762,1088 2.136,1089 9.28,1090 10.257,1091 4.909,1092 18.062,1093 9.178,1094 13.104,1095 0.009,1096 16.654,1097 1.043,1098 10.545,1099 11.833,1100 5.812,1101 20.624,1102 10.423,1103 3.357,1104 -0.488,1105 18.562,1106 0.024,1107 11.659,1108 12.895,1109 6.273,1110 23.036,1111 11.534,1112 3.345,1113 12.104,1114 20.484,1115 -1.157,1116 12.879,1117 14.372,1118 7.059,1119 25.551,1120 12.74,1121 2.592,1122 11.845,1123 22.415,1124 3.883,1125 14.047,1126 15.53,1127 7.629,1128 28.007,1129 13.903,1130 2.533,1131 7.571,1132 24.355,1133 3.631,1134 15.255,1135 16.951,1136 8.359,1137 30.504,1138 15.102,1139 2.218,1140 7.09,1141 26.3,1142 3.444,1143 16.446,1144 18.17,1145 8.984,1146 32.976,1147 16.287,1148 2.127,1149 6.801,1150 28.25,1151 3.332,1152 17.651,1153 19.557,1154 9.689,1155 35.466,1156 17.486,1157 1.503,1158 6.419,1159 30.203,1160 2.677,1161 18.852,1162 20.816,1163 10.343,1164 37.946,1165 18.683,1166 10835,1167 17573,1168 19.592,1169 35.966,1170 48.144,1171 50.717,1172 49.121,1173 46.994,1174 46.98,1175 58.57,1176 13.443,1177 140.126,1178 46.221,1179 5.498,1180 6.092,1181 6.984,1182 5.452,1183 5.357,1184 6.883,1185 3.41,1186 20.104,1187 5.394,1188 18.728,1189 1.553,1190 1.636,1191 1.585,1192 1.516,1193 1.515,1194 1.889,1195 0.434,1196 4.52,1197 1.491,1198 4.005,1199 4.031,1200 3.952,1201 3.902,1202 7.445,1203 3.906,1204 3.912,1205 3.942,1206 3.846,1207 3.845,1208 7.426,1209 3.839,1210 3.86,1211 3.892,1212 3.798,1213 3.696,1214 7.412,1215 3.719,1216 3.678,1217 3.726,1218 3.562,1219 3.567,1220 4.837,1221 3.558,1222 3.413,1223 3.478,1224 3.313,1225 3.172,1226 4.753,1227 3.194,1228 3.078,1229 3.149,1230 2.975,1231 2.875,1232 4.365,1233 2.889,1234 3.039,1235 3.057,1236 2.893,1237 2.834,1238 4.238,1239 2.847,1240 2.874,1241 3.009,1242 2.687,1243 2.735,1244 4.047,1245 2.715,1246 0.145,1247 0.132,1248 0.232,1249 0.141,1250 0.108,1251 4.498,1252 0.125,1253 4.092,1254 0.064,1255 7.182,1256 0.39,1257 4.363,1258 0.109,1259 3.357,1260 3.883,1261 1.988,1262 12.104,1263 3.394,1264 1.934,1265 1.915,1266 2.05,1267 2.071,1268 1.246,1269 2.055,1270 1.911,1271 1.88,1272 2.04,1273 2.008,1274 1.214,1275 2.019,1276 1.799,1277 1.764,1278 1.956,1279 1.969,1280 1.148,1281 1.971,1282 1.683,1283 1.634,1284 1.889,1285 1.826,1286 1.015,1287 1.851,1288 1.336,1289 1.269,1290 1.571,1291 1.609,1292 0.688,1293 1.6,1294 1.047,1295 0.98,1296 1.417,1297 1.323,1298 0.477,1299 1.346,1300 0.951,1301 0.928,1302 1.417,1303 1.239,1304 0.469,1305 1.308,1306 0.934,1307 0.821,1308 1.365,1309 1.239,1310 0.469,1311 1.308,1312 4.143,1314 5.525,1316 7.107,1318 8.771,1320 10.477,1322 7.333,1328 0.328,1329 2.75,1330 5.872,1332 -1.101,1333 1.099,1334 -0.467,1340 34.224,1341 81.721,1342 184.161,1343 228.916,1344 259.181,1345 261.936,1346 261.936,1347 80.544,1348 7.259,1349 75.71,1350 75.71,1351 16,1352 12.615,1353 4,1354 3.322,1355 52.612,1356 126,1357 126,1358 0.199,1359 212.441,1360 380.98,1361 510.116,1362 13964,1364 21.181,1365 0.73,1366 0.591,1367 21.181,1368 17.138,1369 13.681,1370 0.441,1371 0.311,1372 9.531,1373 13.224,1374 9.131,1375 7.668,1376 13.681,1377 9.646,1378 13.189,1379 0.293,1380 0.183,1381 13.189,1382 8.253,1383 10.588,1384 0.186,1385 0.085,1386 10.588,1387 4.869,1388 7.719,1389 0.117,1390 0.046,1391 7.719,1392 3.02,1393 5.887,1394 0.077,1395 0.025,1396 5.887,1397 1.888,1398 0.318,1399 85.586,1400 0.226,1401 27.946,1402 0.53,1403 152,1404 456.92,1405 167.818,1406 435.721,1407 582.11,1408 404,1409 178,1410 417.836,1411 194.957,1412 422.484,1413 618.83,1414 395,1415 4}
{0 CHEMBL123248,1 1.574,2 8.286,3 2.196,4 4.824,5 80.016,6 6.938,7 0.261,8 3.848,9 3.973,10 3.361,11 3.271,12 4.886,13 3.265,14 4.437,15 4.634,16 3.78,17 3.698,18 5.461,19 3.684,20 4.671,21 4.84,22 3.887,23 3.926,24 5.656,25 3.885,26 4.871,27 5.094,28 3.77,29 3.979,30 5.789,31 3.881,32 4.793,33 5.052,34 3.6,35 3.86,36 5.673,37 3.732,38 4.681,39 4.951,40 3.31,41 3.664,42 5.517,43 3.498,44 4.451,45 4.755,46 3.153,47 3.338,48 5.312,49 3.195,50 4.104,51 4.342,52 2.955,53 3.028,54 5.28,55 2.947,56 0.081,57 0.612,58 9.881,59 3.638,60 7.714,61 5.233,62 0.469,63 0.964,64 19.507,65 5.832,66 34.445,67 8.75,68 0.321,69 1.185,70 24.197,71 8.386,72 29.492,73 11.6,74 0.502,75 1.314,76 30.758,77 9.414,78 49.825,79 13.949,80 0.409,81 1.184,82 28.47,83 8.74,84 38.415,85 13.439,86 0.454,87 0.974,88 25.923,89 7.984,90 40.031,91 12.176,92 0.411,93 0.72,94 21.156,95 5.95,96 32.756,97 9.349,98 0.407,99 0.539,100 14.825,101 3.471,102 46.084,103 5.582,104 29,105 35,106 0.282,107 0.608,108 0.786,109 0.867,110 0.867,111 0.867,112 3.105,113 0.927,114 -3.14,115 -3.13,116 -3.01,121 35.7,122 1,123 1,125 1,126 3,127 1,130 1,144 3,145 1,146 2,161 1,168 1,176 5,179 2,180 7,183 2,187 6,191 1,192 10,200 5,206 7,211 2,214 3,218 1,219 7,224 2,227 2,231 1,232 2,237 1,243 2,244 2,247 1,249 2,255 1,259 1,268 1,272 1,281 513,282 13.781,283 13.781,284 13.781,285 13.781,286 13.781,287 12.965,288 20.602,289 7.728,290 14.183,291 11.233,292 11.233,293 11.233,294 11.233,295 11.233,296 9.844,297 24.721,298 3.575,299 11.841,300 3.818,301 1.994,302 1.001,303 0.548,304 0.548,305 0.548,306 3.776,310 1,311 1,312 1,313 368,314 3.317,317 31.186,318 83.874,321 122.139,325 1.279,326 18.006,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 46.5,338 174,339 4.806,340 4.355,341 7.955,342 4.678,343 3.702,344 4.197,345 2.448,346 15.058,347 3.619,348 3.959,349 3.814,350 6.181,351 3.62,352 2.668,353 3.289,354 2.186,355 8.779,356 2.541,357 3.668,358 3.655,359 5.965,360 3.398,361 2.461,362 2.862,363 0.886,364 7.904,365 2.284,366 3.442,367 2.752,368 5.42,369 3.271,370 2.337,371 2.588,372 0.366,373 6.968,374 2.172,375 3.309,376 2.666,377 4.972,378 3.046,379 2.087,380 2.376,381 0.268,382 5.718,383 1.985,384 2.959,385 2.157,386 4.737,387 2.703,388 1.754,389 2.006,391 5.08,392 1.652,393 2.534,394 1.458,395 4.262,396 2.147,397 1.156,398 1.546,400 3.178,401 1.143,402 1.933,403 1.126,404 3.741,405 1.803,406 0.857,407 0.91,409 2.139,410 0.805,411 1.509,412 1.092,413 3.134,414 1.309,415 0.395,416 0.419,418 0.618,419 0.357,420 1.248,421 0.723,422 2.944,423 1.064,424 0.128,425 0.132,427 0.295,428 0.119,429 1.133,430 0.494,431 2.8,432 0.809,433 -0.157,434 -0.196,436 -0.352,437 -0.149,438 0.682,439 0.228,440 2.654,441 0.31,442 -0.677,443 -0.766,445 -1.864,446 -0.661,447 0.543,448 -0.174,449 2.282,450 0.183,451 -0.766,452 -0.835,454 -2.14,455 -0.721,456 0.232,457 -0.584,458 2.165,459 0.082,460 -0.909,461 -1,463 -2.681,464 -0.893,466 -0.771,467 1.929,468 -0.048,469 -1,470 -1.233,472 -2.923,473 -0.946,474 9.7,475 0.462,476 0.719,477 0.034,478 23,479 1.095,480 8.5,481 0.405,482 14.5,483 0.69,484 19.249,485 0.917,486 24.5,487 0.583,488 16.773,489 0.799,490 4.571,491 0.218,492 5.382,493 0.256,494 0.241,495 0.052,496 0.34,501 0.748,502 1.619,503 0.823,504 1.342,505 0.637,506 1.127,507 0.837,508 0.824,509 0.766,510 0.736,511 0.468,512 0.713,513 1.245,514 1.202,515 1.069,516 1.2,517 0.825,518 1.122,519 1.246,520 1.132,521 1.166,522 1.099,523 0.991,524 1.122,525 0.825,526 1.031,527 1.029,528 1.103,529 0.767,530 1.096,531 0.832,532 1.079,533 1.023,534 1.129,535 0.787,536 1.126,537 0.734,538 0.792,539 0.709,540 0.81,541 0.887,542 0.774,543 1.343,544 1.088,545 1.216,546 1.041,547 2.431,548 1.089,549 6,550 0.029,551 3.556,552 3.021,553 1.391,554 0.917,555 0.446,556 0.381,557 0.126,558 0.081,559 3711,560 9740,561 2.006,562 50,563 3,564 14,565 1,567 1,569 2,572 1.636,573 1.813,574 2.99,575 -0.244,576 1,577 1,579 1,582 66.126,583 1.574,584 3.398,585 4.391,586 4.844,587 4.844,588 4.844,589 2.529,590 4.202,591 4.357,592 3.107,593 652.449,594 7.493,595 6563.69,596 1,597 1,599 1,600 226.477,601 1.761,602 4.278,603 0.261,604 0.01,605 0.102,606 0.079,607 0.043,608 0.035,609 0.025,610 0.024,611 0.01,612 0.014,613 0.603,614 0.83,615 1,616 1.33,617 92.411,618 0.069,619 -0.286,620 0.087,621 -0.148,622 -0.045,623 -0.048,624 0.184,625 0.348,626 0.213,627 0.288,628 0.22,629 0.272,630 -0.154,631 -0.07,632 -0.108,633 -0.091,634 -0.042,635 -0.092,636 -0.206,637 -0.119,638 -0.193,639 -0.084,640 -0.097,641 -0.133,642 -0.033,643 -0.039,644 -0.083,645 -0.115,646 -0.017,647 -0.103,648 0.035,649 -0.187,650 -0.066,651 -0.149,652 -0.045,653 -0.133,654 0.173,655 0.022,656 0.279,657 0.096,658 0.086,659 0.186,660 0.007,661 -0.137,662 -0.172,663 -0.162,664 -0.085,665 -0.195,666 2.123,667 4.376,668 0.619,669 15.388,670 1.006,671 1.14,672 1.909,673 3.644,674 0.625,675 3.178,676 3.584,677 3.912,678 4.234,679 4.533,680 4.605,681 4.771,682 4.905,683 4.804,684 4.691,685 4.768,686 0.594,687 291.39,688 3.178,689 4.762,690 5.652,691 6.586,692 7.509,693 8.453,694 9.39,695 10.339,696 11.284,697 12.236,698 7.1,701 1,704 1,705 1,715 3,720 3,722 6,736 1,737 1,741 42,743 7,744 1,745 23,747 44,748 15,749 6,750 3,751 3,756 3,757 6,763 1,764 1,766 1,767 1,770 1,772 7,773 8,777 1,782 1,786 1,789 1,790 1,793 21,794 6,795 1,796 6,802 3,808 0.333,809 3,828 1,829 2,832 2,852 1,859 1,864 4,868 21,876 2,877 1,878 2,880 1,881 2,882 1,893 7.1,896 1,897 1,898 1,901 11.583,902 8.733,903 4.542,904 2.421,907 1.317,908 1.188,909 0.926,910 3.594,911 8.343,912 3.332,913 3.882,914 4.385,915 4.915,916 5.435,917 5.674,918 6.032,919 6.289,920 6.292,921 6.27,922 0.833,923 38,924 7.77,926 3.299,927 0.026,929 7.726,931 14.935,933 12.424,936 2.226,937 46.75,938 0.001,941 235.422,942 85.032,943 26.874,945 47.364,948 85.032,949 282.786,950 26.874,951 34.014,952 22.651,953 28.429,954 36.364,955 31.049,956 18.534,957 223.651,959 235.422,960 111.905,961 47.364,964 211.88,965 59.687,966 11.219,968 37.215,969 74.69,972 235.422,973 74.237,974 85.032,977 235.422,978 22.588,979 71.306,980 18.011,981 47.364,982 235.422,983 74.237,984 85.032,986 0.6,987 0.363,988 0.192,989 0.116,990 19,991 9,992 0.045,993 2,994 2,995 1.308,996 3.144,997 171.678,998 0.308,999 13,1000 92.239,1005 14.631,1006 5.159,1007 2.293,1009 74.237,1010 5.755,1015 2.855,1017 18.011,1018 394.691,1019 27,1024 11.376,1028 -0.456,1031 42.24,1032 47.86,1034 0.292,1035 0.63,1036 0.814,1037 0.898,1038 0.898,1039 0.898,1040 4.649,1041 0.857,1042 5.72,1043 3.178,1044 4.263,1045 4.564,1046 3.097,1047 6.681,1048 4.167,1049 5.87,1050 0.395,1051 7.386,1052 2.139,1053 4.205,1054 4.559,1055 2.242,1056 8.116,1057 4.093,1058 7.219,1059 0.128,1060 9.17,1061 0.618,1062 6.047,1063 6.662,1064 4.563,1065 11.273,1066 5.886,1067 8.604,1068 -0.157,1069 11.03,1070 0.295,1071 6.792,1072 7.413,1073 4.171,1074 13.578,1075 6.631,1076 10.025,1077 -0.677,1078 12.942,1079 -0.352,1080 8.224,1081 9.106,1082 6.187,1083 16.398,1084 8.032,1085 11.475,1086 -0.766,1087 14.894,1088 -1.864,1089 9.312,1090 10.2,1091 6.035,1092 18.993,1093 9.118,1094 12.947,1095 -0.909,1096 16.875,1097 -2.14,1098 10.635,1099 11.746,1100 7.856,1101 21.732,1102 10.419,1103 3.702,1104 -1,1105 18.879,1106 -2.681,1107 11.86,1108 13.008,1109 7.863,1110 24.411,1111 11.634,1112 2.668,1113 15.058,1114 20.9,1115 -2.923,1116 13.162,1117 14.493,1118 9.547,1119 27.13,1120 12.917,1121 2.461,1122 8.779,1123 22.934,1124 4.197,1125 14.438,1126 15.838,1127 9.674,1128 29.832,1129 14.177,1130 2.337,1131 7.904,1132 24.978,1133 3.289,1134 15.739,1135 17.296,1136 11.254,1137 32.546,1138 15.459,1139 2.087,1140 6.968,1141 27.029,1142 2.862,1143 17.035,1144 18.683,1145 11.479,1146 35.255,1147 16.735,1148 1.754,1149 5.718,1150 29.086,1151 2.588,1152 18.338,1153 20.128,1154 12.973,1155 37.968,1156 18.019,1157 1.156,1158 5.08,1159 31.147,1160 2.376,1161 19.641,1162 21.538,1163 13.282,1164 40.679,1165 19.301,1166 3765,1167 6187,1168 14.622,1169 26.233,1170 35.256,1171 37.457,1172 37.955,1173 35.032,1174 35.09,1175 40.649,1176 12.308,1177 111.473,1178 33.354,1179 5.806,1180 6.355,1181 7.506,1182 5.744,1183 5.702,1184 7.197,1185 4.714,1186 23.416,1187 5.619,1188 12.294,1189 1.533,1190 1.629,1191 1.65,1192 1.523,1193 1.526,1194 1.767,1195 0.535,1196 4.847,1197 1.45,1198 4.069,1199 4.099,1200 4.019,1201 3.973,1202 7.435,1203 3.979,1204 3.694,1205 3.735,1206 3.614,1207 3.525,1208 4.865,1209 3.533,1210 3.528,1211 3.594,1212 3.433,1213 3.222,1214 4.64,1215 3.264,1216 3.344,1217 3.431,1218 3.189,1219 3.12,1220 4.298,1221 3.124,1222 3.278,1223 3.371,1224 3.092,1225 3.043,1226 4.108,1227 3.042,1228 2.98,1229 3.094,1230 2.778,1231 2.759,1232 3.952,1233 2.729,1234 2.971,1235 3.014,1236 2.695,1237 2.697,1238 3.847,1239 2.699,1240 2.784,1241 2.874,1242 2.585,1243 2.611,1244 3.662,1245 2.599,1246 0.209,1247 0.189,1248 0.346,1249 0.203,1250 0.161,1251 4.806,1252 0.182,1253 4.355,1254 0.106,1255 7.955,1256 0.655,1257 4.678,1258 0.157,1259 3.702,1260 4.197,1261 2.448,1262 15.058,1263 3.619,1264 1.915,1265 1.894,1266 2.03,1267 2.018,1268 1.363,1269 2.021,1270 1.731,1271 1.683,1272 1.899,1273 1.94,1274 1.061,1275 1.925,1276 1.407,1277 1.338,1278 1.691,1279 1.741,1280 0.836,1281 1.721,1282 1.345,1283 1.251,1284 1.661,1285 1.612,1286 0.685,1287 1.633,1288 1.254,1289 1.165,1290 1.591,1291 1.51,1292 0.663,1293 1.542,1294 1.024,1295 0.914,1296 1.455,1297 1.297,1298 0.572,1299 1.357,1300 0.878,1301 0.833,1302 1.161,1303 1.209,1304 0.337,1305 1.177,1306 0.796,1307 0.728,1308 1.059,1309 1.07,1310 0.157,1311 1.093,1312 3.85,1314 5.231,1315 2.398,1316 6.821,1317 5.043,1318 8.511,1319 7.391,1320 10.261,1322 7.742,1328 1.871,1329 2.459,1330 11.239,1332 -0.026,1333 4.033,1334 -0.099,1340 24.95,1341 66.126,1342 142.726,1343 184.438,1344 203.458,1345 203.458,1346 203.458,1347 32.327,1348 7.026,1349 54.04,1350 54.04,1351 17,1352 12.725,1353 3,1354 2.322,1355 32.058,1356 59,1357 70,1358 0.283,1359 153.137,1360 268.89,1361 365.415,1362 8751,1364 15.198,1365 0.724,1366 0.612,1367 15.198,1368 12.843,1369 9.953,1370 0.433,1371 0.309,1372 6.946,1373 9.353,1374 6.645,1375 5.551,1376 9.953,1377 7.103,1378 9.55,1379 0.273,1380 0.169,1381 9.55,1382 5.906,1383 8.281,1384 0.169,1385 0.092,1386 8.281,1387 4.501,1388 6.756,1389 0.099,1390 0.048,1391 6.756,1392 3.246,1393 6.012,1394 0.065,1395 0.027,1396 6.012,1397 2.516,1398 0.422,1399 63.802,1400 0.262,1401 20.207,1402 0.841,1403 116,1404 346.83,1405 132.622,1406 322.132,1407 443.13,1408 302,1409 142,1410 337.896,1411 159.043,1412 335.051,1413 494.09,1414 312,1415 6.824}
{0 CHEMBL123249,1 1.476,2 10.24,3 3.927,4 15.421,5 98.174,6 7.03,7 0.429,8 3.972,9 4.096,10 3.505,11 3.496,12 5.006,13 3.472,14 4.543,15 4.729,16 3.922,17 3.933,18 5.558,19 3.893,20 4.802,21 4.989,22 3.985,23 4.128,24 5.728,25 4.049,26 4.989,27 5.245,28 3.887,29 4.138,30 5.876,31 4.02,32 4.905,33 5.147,34 3.698,35 3.994,36 5.872,37 3.854,38 4.803,39 5.105,40 3.478,41 3.733,42 5.65,43 3.594,44 4.322,45 4.531,46 3.409,47 3.505,48 5.372,49 3.432,50 4.284,51 4.494,52 3.324,53 3.458,54 5.407,55 3.388,56 0.024,57 0.708,58 10.643,59 4.389,60 7.956,61 6.012,62 0.381,63 1.184,64 20.551,65 7.264,66 32.38,67 10.365,68 0.172,69 1.48,70 26.456,71 9.978,72 25.616,73 13.992,74 0.317,75 1.646,76 33.965,77 11.406,78 40.745,79 16.735,80 0.316,81 1.408,82 31.42,83 11.304,84 50.466,85 15.801,86 0.45,87 1.141,88 30.429,89 9.857,90 51.507,91 14.066,92 0.263,93 0.811,94 17.375,95 6.068,96 28.339,97 8.21,98 0.341,99 0.797,100 16.971,101 5.259,102 39.574,103 7.193,104 17,105 42,106 0.252,107 0.579,108 0.748,109 0.84,110 0.86,111 0.86,112 3.267,113 0.922,114 -4.31,115 -4.24,116 -4.01,121 41.7,122 1,123 1,125 1,126 2,127 1,130 1,144 8,145 1,146 3,161 1,176 9,179 2,180 7,183 2,185 2,187 10,192 8,197 2,200 7,206 9,211 3,214 3,218 1,219 9,224 2,227 2,231 1,232 3,237 1,239 4,243 1,244 2,247 1,249 2,251 8,255 1,259 1,264 8,269 2,277 8,281 821,282 16.687,283 16.687,284 16.687,285 16.687,286 16.687,287 15.12,288 24.797,289 9.586,290 17.05,291 13.8,292 13.8,293 13.8,294 13.8,295 13.8,296 11.415,297 36.489,298 4.547,299 14.384,300 4.109,301 2.194,302 1.204,303 0.662,304 0.547,305 0.547,306 3.96,310 1,311 1,312 1,313 565,314 3.391,317 94.62,318 133.649,320 76.386,321 81.218,324 113.567,325 1.51,326 17.659,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 53.5,338 256,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 4.021,349 3.675,350 6.211,351 3.668,352 2.721,353 3.483,354 0.966,355 8.83,356 2.577,357 3.907,358 2.825,359 6.169,360 3.542,361 2.573,362 3.303,363 0.693,364 8.459,365 2.49,366 3.624,367 2.743,368 5.558,369 3.368,370 2.43,371 2.856,372 0.366,373 7.562,374 2.269,375 3.453,376 2.572,377 5.31,378 3.226,379 2.288,380 2.578,382 6.818,383 2.132,384 3.281,385 2.469,386 4.795,387 2.891,388 1.913,389 2.42,391 5.081,392 1.851,393 2.85,394 1.746,395 4.602,396 2.438,397 1.488,398 1.984,400 4.341,401 1.411,402 2.615,403 1.519,404 4.213,405 2.359,406 1.372,407 1.629,409 3.06,410 1.346,411 2.517,412 1.171,413 3.723,414 2.127,415 1.133,416 1.521,418 2.99,419 1.126,420 2.5,421 1,422 3.57,423 2,424 1,425 1.5,427 2.136,428 1,429 1.785,430 0.932,431 3.247,432 1.694,433 0.729,434 0.76,436 1.821,437 0.701,438 1.252,439 0.736,440 3.088,441 0.965,442 0.051,443 0.059,445 0.141,446 0.047,447 1.167,448 0.346,449 2.942,450 0.745,451 -0.244,452 -0.278,454 -0.596,455 -0.236,456 0.762,457 -0.017,458 2.602,459 0.636,460 -0.313,461 -0.366,463 -0.761,464 -0.297,465 0.67,466 -0.218,467 2.427,468 0.308,469 -0.678,470 -0.839,472 -1.876,473 -0.66,474 11.867,475 0.475,476 0.771,477 0.031,478 31.75,479 1.27,480 15,481 0.6,482 16.75,483 0.67,484 21.348,485 0.854,486 27.133,487 0.565,488 22.707,489 0.908,490 6.148,491 0.246,492 5.839,493 0.234,494 0.154,495 0.042,496 0.32,501 0.812,502 1.435,503 0.82,504 1.155,505 0.622,506 1.009,507 0.716,508 0.898,509 0.812,510 0.799,511 0.402,512 0.799,513 1.011,514 1.348,515 1.079,516 1.226,517 0.728,518 1.171,519 1.001,520 0.975,521 1.041,522 1.002,523 0.649,524 1.005,525 1.162,526 1.153,527 1.139,528 1.248,529 1.342,530 1.208,531 1.339,532 0.618,533 0.765,534 0.634,535 1.23,536 0.638,537 1.484,538 1.007,539 1.016,540 0.993,541 1.544,542 0.969,543 1.913,544 0.835,545 1.256,546 0.839,547 2.699,548 0.947,549 6,550 0.134,551 3.556,552 3.458,553 1.397,554 0.764,555 0.531,556 0.269,557 0.274,558 0.191,559 7295,560 16247,561 2.095,562 47.9,563 3,564 16,565 1,567 1,569 2,572 1.678,573 1.935,574 3.282,575 -0.356,577 1,582 70.843,583 1.476,584 3.391,585 4.381,586 4.923,587 5.038,588 5.038,589 2.699,590 4.404,591 4.615,592 3.452,593 1035.73,594 7.971,595 12338.5,597 1,599 1,600 268.078,601 1.643,602 4.557,603 0.214,604 0.008,605 0.085,606 0.08,607 0.038,608 0.027,609 0.022,610 0.012,611 0.013,612 0.01,613 0.509,614 0.5,615 1,616 0.609,617 119.989,618 -0.01,619 -0.231,620 0.076,621 -0.084,622 -0.047,623 -0.008,624 0.274,625 0.258,626 0.143,627 0.192,628 0.239,629 0.161,630 -0.094,631 -0.266,632 -0.14,633 -0.209,634 -0.032,635 -0.188,636 -0.088,637 0.034,638 -0.061,639 -0.05,640 0.09,641 -0.042,642 -0.018,643 -0.228,644 -0.146,645 -0.264,646 -0.056,647 -0.229,648 0.007,649 0.189,650 0.294,651 0.304,652 -0.007,653 0.331,654 -0.002,655 -0.041,656 0.005,657 -0.011,658 -0.055,659 -0.014,660 -0.218,661 0.195,662 -0.209,663 0.092,664 -0.324,665 -0.04,666 2.136,667 5.154,668 0.72,669 20.634,670 0.996,671 1.126,672 3.079,673 9.478,674 0.657,675 3.367,676 3.761,677 4.094,678 4.443,679 4.635,680 4.7,681 4.883,682 4.956,683 4.949,684 5.004,685 5.997,686 0.62,687 337.46,688 3.367,689 4.949,690 5.838,691 6.767,692 7.68,693 8.621,694 9.548,695 10.495,696 11.433,697 12.385,698 6.3,701 1,704 1,705 1,715 8,720 4,722 12,736 1,737 1,741 48,743 13,744 2,745 28,747 51,748 20,749 12,750 4,751 8,756 4,757 7,763 1,764 1,766 1,767 1,770 1,772 13,773 7,777 1,782 1,786 1,790 1,793 23,794 5,795 1,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 3,868 25,876 2,877 1,878 1,880 1,881 2,882 1,893 4.2,896 1,898 1,901 12.917,902 9.483,903 5.319,904 2.822,907 2.117,908 1.28,909 0.971,910 3.971,911 9.669,912 3.584,913 4.159,914 4.682,915 5.242,916 5.717,917 5.858,918 6.213,919 6.482,920 6.585,921 6.783,922 0.857,923 43,924 9.26,926 3.993,927 0.026,929 7.617,931 18.004,933 15.334,936 2.117,937 52.917,940 1,941 258.964,942 126.773,943 24.259,945 36.145,948 126.773,949 295.109,950 24.259,951 25.618,952 22.651,953 75.81,954 25.145,955 31.191,956 18.534,957 247.193,959 258.964,960 151.033,961 36.145,964 235.422,965 59.687,968 34.601,969 116.432,972 258.964,973 60.404,974 126.773,977 258.964,978 25.345,979 107.677,980 18.011,981 36.145,982 258.964,983 60.404,984 126.773,986 0.597,987 0.359,988 0.205,989 0.106,990 23,991 10,992 0.059,993 3,994 2,995 1.222,996 3.665,997 217.709,998 0.222,999 18,1000 112.096,1005 16.431,1006 6.042,1007 2.697,1009 60.404,1010 15.26,1015 3.777,1017 18.011,1018 446.142,1019 35,1024 12.154,1028 -0.47,1031 47.796,1032 54.066,1034 0.264,1035 0.607,1036 0.784,1037 0.881,1038 0.902,1039 0.902,1040 4.875,1041 1.372,1042 5.883,1043 4.341,1044 4.443,1045 4.844,1046 2.466,1047 6.825,1048 4.364,1049 6.092,1050 1.133,1051 7.529,1052 3.06,1053 4.29,1054 4.691,1055 1.905,1056 8.207,1057 4.18,1058 7.427,1059 1,1060 9.296,1061 2.99,1062 6.192,1063 6.953,1064 3.531,1065 11.384,1066 6.048,1067 8.798,1068 0.729,1069 11.143,1070 2.136,1071 6.889,1072 7.564,1073 3.612,1074 13.681,1075 6.73,1076 10.208,1077 0.051,1078 13.046,1079 1.821,1080 8.346,1081 9.371,1082 4.913,1083 16.511,1084 8.164,1085 11.646,1086 -0.244,1087 14.991,1088 0.141,1089 9.415,1090 10.351,1091 5.293,1092 19.115,1093 9.224,1094 13.108,1095 -0.313,1096 16.968,1097 -0.596,1098 10.747,1099 11.965,1100 6.388,1101 21.867,1102 10.538,1103 3.737,1104 -0.678,1105 18.97,1106 -0.761,1107 11.968,1108 13.144,1109 6.931,1110 24.561,1111 11.747,1112 2.721,1113 15.306,1114 20.99,1115 -1.876,1116 13.276,1117 14.664,1118 7.902,1119 27.295,1120 13.037,1121 2.573,1122 8.83,1123 23.025,1124 4.206,1125 14.555,1126 15.954,1127 8.539,1128 30.013,1129 14.301,1130 2.43,1131 8.459,1132 25.071,1133 3.483,1134 15.863,1135 17.428,1136 9.436,1137 32.743,1138 15.59,1139 2.288,1140 7.562,1141 27.125,1142 3.303,1143 17.165,1144 18.781,1145 10.13,1146 35.468,1147 16.874,1148 1.913,1149 6.818,1150 29.185,1151 2.856,1152 18.476,1153 20.233,1154 10.981,1155 38.197,1156 18.166,1157 1.488,1158 5.081,1159 31.25,1160 2.578,1161 19.788,1162 21.621,1163 11.71,1164 40.924,1165 19.457,1166 6902,1167 10440,1168 18.493,1169 31.54,1170 43.276,1171 43.987,1172 44.983,1173 42.843,1174 42.872,1175 52.599,1176 8.422,1177 133.093,1178 41.213,1179 5.797,1180 5.973,1181 7.808,1182 5.802,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 12.265,1189 1.546,1190 1.571,1191 1.607,1192 1.53,1193 1.531,1194 1.879,1195 0.301,1196 4.753,1197 1.472,1198 4.092,1199 4.13,1200 4.039,1201 3.996,1202 7.435,1203 4.001,1204 3.899,1205 3.934,1206 3.832,1207 3.821,1208 4.845,1209 3.818,1210 3.699,1211 3.741,1212 3.615,1213 3.563,1214 4.756,1215 3.566,1216 3.397,1217 3.438,1218 3.335,1219 3.114,1220 4.445,1221 3.158,1222 3.272,1223 3.362,1224 3.101,1225 3.047,1226 4.143,1227 3.043,1228 3.227,1229 3.31,1230 3.036,1231 2.997,1232 3.931,1233 3.007,1234 2.976,1235 3.093,1236 2.713,1237 2.761,1238 3.888,1239 2.727,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.77,1245 2.715,1246 0.173,1247 0.142,1248 0.286,1249 0.168,1250 0.133,1251 4.832,1252 0.15,1253 3.973,1254 0.078,1255 8.006,1256 0.547,1257 4.714,1258 0.131,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.907,1265 1.887,1266 2.014,1267 2.01,1268 1.31,1269 2.009,1270 1.881,1271 1.85,1272 1.999,1273 1.969,1274 1.062,1275 1.98,1276 1.633,1277 1.577,1278 1.832,1279 1.836,1280 1.056,1281 1.837,1282 1.534,1283 1.453,1284 1.787,1285 1.754,1286 1.012,1287 1.774,1288 1.255,1289 1.205,1290 1.58,1291 1.563,1292 0.644,1293 1.546,1294 1.153,1295 1.082,1296 1.453,1297 1.443,1298 0.563,1299 1.434,1300 1.014,1301 0.899,1302 1.317,1303 1.291,1304 0.347,1305 1.353,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.278,1311 1.107,1312 4.043,1314 5.416,1315 3.045,1316 6.987,1317 5.638,1318 8.656,1319 7.921,1320 10.385,1322 6.611,1328 2.176,1329 2.75,1330 5.517,1332 0.357,1333 4.721,1334 0.064,1340 29.762,1341 70.843,1342 162.775,1343 210.304,1344 236.304,1345 241.814,1346 241.814,1347 35.473,1348 7.552,1349 44.81,1350 44.81,1351 22,1352 12.876,1353 3.807,1354 3,1355 36.085,1356 91,1357 93,1358 0.199,1359 180.927,1360 315.42,1361 433.223,1362 18981,1364 17.604,1365 0.704,1366 0.593,1367 17.604,1368 14.821,1369 11.987,1370 0.428,1371 0.307,1372 8.48,1373 11.532,1374 8.168,1375 6.802,1376 11.987,1377 8.604,1378 11.437,1379 0.272,1380 0.171,1381 11.437,1382 7.192,1383 9.81,1384 0.166,1385 0.094,1386 9.81,1387 5.532,1388 8.892,1389 0.106,1390 0.052,1391 8.892,1392 4.391,1393 6.842,1394 0.067,1395 0.028,1396 6.842,1397 2.891,1398 0.311,1399 75.006,1400 0.233,1401 24.147,1402 0.549,1403 140,1404 359.094,1405 153.359,1406 347.551,1407 484.64,1408 326,1409 171,1410 369.092,1411 184.642,1412 375.549,1413 554.61,1414 351,1415 7.62}
{0 CHEMBL123831,1 1.533,2 10.769,3 3.773,4 14.235,5 99.793,6 7.213,7 0.414,8 4.003,9 4.12,10 3.555,11 3.499,12 5.065,13 3.487,14 4.568,15 4.741,16 3.964,17 3.917,18 5.62,19 3.895,20 4.834,21 5.007,22 4.044,23 4.111,24 5.813,25 4.06,26 4.993,27 5.221,28 3.955,29 4.121,30 5.93,31 4.028,32 4.932,33 5.178,34 3.818,35 3.985,36 5.912,37 3.889,38 4.784,39 5.033,40 3.59,41 3.82,42 5.722,43 3.702,44 4.561,45 4.822,46 3.494,47 3.642,48 5.514,49 3.539,50 4.382,51 4.597,52 3.4,53 3.533,54 5.52,55 3.45,56 0.07,57 0.717,58 10.707,59 4.483,60 8.389,61 5.973,62 0.417,63 1.165,64 20.846,65 7.304,66 34.62,67 10.122,68 0.312,69 1.446,70 27.48,71 10.011,72 31.852,73 13.294,74 0.385,75 1.591,76 34.031,77 11.394,78 47.307,79 16.059,80 0.479,81 1.424,82 33.004,83 10.39,84 55.139,85 14.739,86 0.503,87 1.18,88 28.883,89 9.482,90 51.148,91 13.237,92 0.402,93 0.969,94 23.051,95 7.715,96 36.952,97 10.945,98 0.395,99 0.858,100 18.507,101 5.958,102 49.339,103 8.341,104 17,105 43,106 0.261,107 0.589,108 0.754,109 0.844,110 0.863,111 0.863,112 3.305,113 0.907,114 -4.35,115 -4.28,116 -4.04,121 40.8,122 1,123 1,125 1,126 2,127 1,130 1,144 8,145 1,146 3,161 1,168 1,176 9,179 2,180 7,183 2,185 2,187 10,191 1,192 10,197 2,200 7,206 11,211 3,214 3,218 1,219 11,224 2,227 2,231 1,232 4,237 1,239 4,243 2,244 2,247 1,249 2,251 8,255 1,259 1,264 8,268 1,269 2,272 1,277 8,281 908,282 17.341,283 17.341,284 17.341,285 17.341,286 17.341,287 15.774,288 23.765,289 10.031,290 17.719,291 14.305,292 14.305,293 14.305,294 14.305,295 14.305,296 11.921,297 32.221,298 4.79,299 14.932,300 4.081,301 2.149,302 1.179,303 0.648,304 0.536,305 0.536,306 3.998,310 1,311 1,312 1,313 614,314 3.391,317 43.358,318 197.487,321 167.81,325 1.574,326 20.727,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 56.5,338 280,339 4.806,340 4.355,341 7.955,342 4.678,343 3.702,344 4.197,345 2.448,346 15.058,347 3.619,348 4.011,349 3.814,350 6.181,351 3.657,352 2.71,353 3.482,354 2.186,355 8.78,356 2.565,357 3.89,358 3.672,359 5.966,360 3.535,361 2.566,362 3.274,363 0.886,364 7.939,365 2.485,366 3.624,367 2.754,368 5.549,369 3.346,370 2.409,371 2.841,372 0.366,373 7.449,374 2.245,375 3.418,376 2.686,377 5.292,378 3.244,379 2.306,380 2.573,381 0.268,382 6.712,383 2.152,384 3.299,385 2.521,386 4.968,387 2.977,388 2.01,389 2.376,391 5.675,392 1.927,393 2.964,394 2.155,395 4.635,396 2.696,397 1.74,398 2.028,400 4.916,401 1.65,402 2.843,403 1.519,404 4.262,405 2.376,406 1.385,407 1.96,409 3.18,410 1.367,411 2.534,412 1.458,413 3.742,414 2.146,415 1.156,416 1.545,418 2.991,419 1.143,420 2.5,421 1.116,422 3.57,423 2,424 1,425 1.5,427 2.136,428 1,429 1.931,430 1,431 3.247,432 1.799,433 0.85,434 0.906,436 2.133,437 0.801,438 1.272,439 0.799,440 3.134,441 1.082,442 0.149,443 0.155,445 0.369,446 0.138,447 1.174,448 0.524,449 2.952,450 0.937,451 0.025,452 0.028,454 0.065,455 0.022,456 1.132,457 0.341,458 2.805,459 0.732,460 -0.264,461 -0.344,463 -0.631,464 -0.258,465 0.685,466 0.222,467 2.668,468 0.31,469 -0.676,470 -0.767,472 -1.863,473 -0.659,474 12.2,475 0.469,476 0.788,477 0.03,478 32.5,479 1.25,480 15,481 0.577,482 17.5,483 0.673,484 22.523,485 0.866,486 28.6,487 0.584,488 24.081,489 0.926,490 6.407,491 0.246,492 6.063,493 0.233,494 0.15,495 0.041,496 0.311,501 0.735,502 1.393,503 0.787,504 1.166,505 0.639,506 1.011,507 0.806,508 0.956,509 0.799,510 0.853,511 0.475,512 0.815,513 1.282,514 1.177,515 1.101,516 1.145,517 0.872,518 1.103,519 1.148,520 1.149,521 1.073,522 1.109,523 0.78,524 1.082,525 1.235,526 0.935,527 1.058,528 0.981,529 1.296,530 0.981,531 1.218,532 0.94,533 1.039,534 0.96,535 1.272,536 0.979,537 0.93,538 0.768,539 0.803,540 0.792,541 1.158,542 0.791,543 1.165,544 0.989,545 1.132,546 0.989,547 2.132,548 1.041,549 6.5,550 0.106,551 3.556,552 3.333,553 1.542,554 1.035,555 0.505,556 0.353,557 0.232,558 0.252,559 8079,560 19523,561 2.092,562 46.9,563 3,564 16,565 1,567 1,569 2,572 1.689,573 1.938,574 3.353,575 -0.332,577 1,582 75.131,583 1.533,584 3.466,585 4.436,586 4.966,587 5.079,588 5.079,589 2.874,590 4.104,591 4.67,592 3.513,593 1141.88,594 8.085,595 13971.6,597 1,599 1,600 275.121,601 1.619,602 4.616,603 0.224,604 0.006,605 0.083,606 0.074,607 0.04,608 0.031,609 0.019,610 0.014,611 0.011,612 0.013,613 0.514,614 0.5,615 1,616 0.596,617 126.595,618 0.077,619 -0.175,620 0.083,621 -0.08,622 -0.048,623 -0.014,624 0.214,625 0.185,626 0.147,627 0.149,628 0.217,629 0.143,630 -0.153,631 -0.109,632 -0.146,633 -0.129,634 -0.079,635 -0.136,636 -0.118,637 -0.163,638 -0.091,639 -0.136,640 0.039,641 -0.112,642 -0.095,643 0.019,644 -0.044,645 -0.039,646 -0.038,647 -0.027,648 -0.036,649 -0.051,650 -0.018,651 0.005,652 -0.078,653 -0.004,654 0.106,655 0.135,656 0.208,657 0.175,658 0.017,659 0.197,660 0.022,661 0.02,662 -0.134,663 -0.03,664 -0.113,665 -0.094,666 2.163,667 5.177,668 0.731,669 23.071,670 1.003,671 1.128,672 3.119,673 9.726,674 0.653,675 3.401,676 3.784,677 4.094,678 4.419,679 4.691,680 4.736,681 4.898,682 5.043,683 5.024,684 5.056,685 6.184,686 0.622,687 353.46,688 3.401,689 4.977,690 5.855,691 6.774,692 7.68,693 8.609,694 9.53,695 10.466,696 11.397,697 12.338,698 6.1,701 1,704 1,705 1,715 8,720 4,722 12,736 1,737 1,741 49,743 13,744 2,745 29,747 52,748 20,749 12,750 4,751 8,756 4,757 7,763 1,764 1,766 1,767 1,770 1,772 13,773 7,777 1,782 1,786 1,790 1,793 23,794 6,795 1,796 6,802 3,808 0.5,809 3,828 1,829 3,832 2,852 1,859 2,864 3,868 26,876 2,877 1,878 2,880 1,881 2,882 1,893 6.1,896 1,897 1,898 1,901 13.417,902 9.65,903 5.542,904 2.844,907 2.109,908 1.276,909 0.963,910 4.388,911 9.764,912 3.611,913 4.174,914 4.682,915 5.231,916 5.731,917 5.858,918 6.207,919 6.495,920 6.589,921 6.812,922 1,923 45,924 9.628,926 4.144,927 0.026,929 7.67,931 18.538,933 15.562,936 2.17,937 56.417,939 1,940 1,941 258.964,942 126.773,943 26.874,945 47.364,948 126.773,949 306.328,950 26.874,951 25.618,952 22.651,953 75.81,954 36.364,955 33.805,956 18.534,957 247.193,959 258.964,960 153.647,961 47.364,964 235.422,965 59.687,966 11.219,968 37.215,969 116.432,972 258.964,973 74.237,974 126.773,977 258.964,978 25.345,979 110.291,980 18.011,981 47.364,982 258.964,983 74.237,984 126.773,986 0.595,987 0.351,988 0.196,989 0.113,990 23,991 10,992 0.058,993 3,994 2,995 1.211,996 3.749,997 228.59,998 0.211,999 19,1000 118.211,1005 17.342,1006 6.578,1007 3.103,1009 74.237,1010 15.043,1015 3.507,1017 18.011,1018 459.975,1019 36,1024 12.177,1028 -0.496,1031 49.123,1032 55.275,1034 0.273,1035 0.617,1036 0.79,1037 0.885,1038 0.905,1039 0.905,1040 4.898,1041 1.385,1042 5.894,1043 4.916,1044 4.466,1045 4.86,1046 3.097,1047 6.815,1048 4.384,1049 6.108,1050 1.156,1051 7.527,1052 3.18,1053 4.29,1054 4.691,1055 2.242,1056 8.164,1057 4.18,1058 7.436,1059 1,1060 9.281,1061 2.991,1062 6.196,1063 6.955,1064 4.563,1065 11.323,1066 6.047,1067 8.799,1068 0.85,1069 11.115,1070 2.136,1071 6.858,1072 7.549,1073 4.171,1074 13.596,1075 6.695,1076 10.199,1077 0.149,1078 13.006,1079 2.133,1080 8.318,1081 9.361,1082 6.187,1083 16.412,1084 8.128,1085 11.628,1086 0.025,1087 14.942,1088 0.369,1089 9.358,1090 10.33,1091 6.035,1092 18.998,1093 9.161,1094 13.082,1095 -0.264,1096 16.91,1097 0.065,1098 10.687,1099 11.947,1100 7.856,1101 21.735,1102 10.47,1103 3.702,1104 -0.676,1105 18.904,1106 -0.631,1107 11.889,1108 13.119,1109 7.863,1110 24.412,1111 11.66,1112 2.71,1113 15.058,1114 20.918,1115 -1.863,1116 13.189,1117 14.641,1118 9.547,1119 27.131,1120 12.942,1121 2.566,1122 8.78,1123 22.947,1124 4.197,1125 14.454,1126 15.927,1127 9.674,1128 29.833,1129 14.192,1130 2.409,1131 7.939,1132 24.987,1133 3.482,1134 15.753,1135 17.401,1136 11.254,1137 32.546,1138 15.471,1139 2.306,1140 7.449,1141 27.036,1142 3.274,1143 17.044,1144 18.751,1145 11.479,1146 35.255,1147 16.743,1148 2.01,1149 6.712,1150 29.091,1151 2.841,1152 18.346,1153 20.202,1154 12.973,1155 37.968,1156 18.025,1157 1.74,1158 5.675,1159 31.15,1160 2.573,1161 19.646,1162 21.588,1163 13.282,1164 40.679,1165 19.305,1166 7657,1167 12041,1168 19.186,1169 31.995,1170 44.392,1171 46.293,1172 45.826,1173 43.985,1174 44.013,1175 53.733,1176 12.308,1177 134.804,1178 42.23,1179 5.806,1180 6.355,1181 7.757,1182 5.767,1183 5.702,1184 7.197,1185 4.714,1186 23.416,1187 5.619,1188 12.664,1189 1.531,1190 1.596,1191 1.58,1192 1.517,1193 1.518,1194 1.853,1195 0.424,1196 4.648,1197 1.456,1198 4.072,1199 4.102,1200 4.022,1201 3.975,1202 7.435,1203 3.982,1204 3.898,1205 3.932,1206 3.831,1207 3.821,1208 4.871,1209 3.817,1210 3.684,1211 3.727,1212 3.599,1213 3.524,1214 4.763,1215 3.531,1216 3.431,1217 3.483,1218 3.356,1219 3.167,1220 4.636,1221 3.194,1222 3.29,1223 3.372,1224 3.161,1225 3.056,1226 4.251,1227 3.072,1228 3.273,1229 3.339,1230 3.092,1231 3.014,1232 3.959,1233 3.033,1234 2.98,1235 3.094,1236 2.721,1237 2.758,1238 3.949,1239 2.727,1240 2.854,1241 2.925,1242 2.689,1243 2.735,1244 3.785,1245 2.715,1246 0.166,1247 0.15,1248 0.274,1249 0.161,1250 0.128,1251 4.806,1252 0.145,1253 4.355,1254 0.084,1255 7.955,1256 0.519,1257 4.678,1258 0.125,1259 3.702,1260 4.197,1261 2.448,1262 15.058,1263 3.619,1264 1.917,1265 1.896,1266 2.031,1267 2.023,1268 1.363,1269 2.024,1270 1.883,1271 1.852,1272 2.008,1273 1.986,1274 1.065,1275 1.993,1276 1.73,1277 1.682,1278 1.897,1279 1.931,1280 1.056,1281 1.921,1282 1.349,1283 1.262,1284 1.662,1285 1.622,1286 0.836,1287 1.636,1288 1.282,1289 1.221,1290 1.595,1291 1.57,1292 0.668,1293 1.564,1294 1.161,1295 1.105,1296 1.455,1297 1.455,1298 0.572,1299 1.436,1300 1.024,1301 0.913,1302 1.317,1303 1.297,1304 0.337,1305 1.357,1306 0.886,1307 0.821,1308 1.181,1309 1.078,1310 0.278,1311 1.107,1312 4.078,1314 5.442,1315 2.398,1316 7.011,1317 5.043,1318 8.678,1319 7.391,1320 10.402,1322 6.205,1328 1.838,1329 2.736,1330 11.552,1332 -0.051,1333 4.04,1334 -0.133,1340 30.477,1341 75.131,1342 169.818,1343 217.346,1344 243.346,1345 248.856,1346 248.856,1347 39.575,1348 7.654,1349 54.04,1350 54.04,1351 23,1352 12.835,1353 3.807,1354 3,1355 38.168,1356 98,1357 100,1358 0.197,1359 184.924,1360 324.21,1361 442.973,1362 21821,1364 18.311,1365 0.704,1366 0.586,1367 18.311,1368 15.23,1369 12.47,1370 0.43,1371 0.302,1372 8.615,1373 11.89,1374 8.32,1375 6.919,1376 12.47,1377 8.764,1378 11.881,1379 0.276,1380 0.166,1381 11.881,1382 7.147,1383 10.045,1384 0.17,1385 0.09,1386 10.045,1387 5.317,1388 8.677,1389 0.106,1390 0.047,1391 8.677,1392 3.86,1393 7.434,1394 0.069,1395 0.027,1396 7.434,1397 2.88,1398 0.307,1399 78.759,1400 0.228,1401 25.002,1402 0.543,1403 144,1404 406.83,1405 161.288,1406 385.558,1407 535.22,1408 362,1409 174,1410 410.741,1411 191.709,1412 410.245,1413 603.03,1414 384,1415 6.886}
{0 CHEMBL123909,1 1.682,2 13.9,3 4.082,4 16.665,5 114.904,6 8.229,7 0.364,8 4.058,9 4.163,10 3.707,11 3.623,12 5.192,13 3.603,14 4.632,15 4.791,16 4.101,17 4.062,18 5.821,19 4.017,20 4.942,21 5.143,22 4.168,23 4.224,24 6.017,25 4.143,26 5.06,27 5.298,28 4.01,29 4.146,30 6.191,31 4.04,32 4.919,33 5.172,34 3.893,35 4.008,36 5.932,37 3.912,38 4.807,39 5.019,40 3.931,41 3.987,42 6.066,43 3.894,44 4.787,45 5.01,46 3.822,47 3.935,48 6.005,49 3.821,50 4.661,51 4.88,52 3.65,53 3.803,54 5.742,55 3.675,56 0.147,57 0.747,58 9.048,59 4.74,60 11.517,61 5.941,62 0.401,63 1.255,64 19.313,65 8.247,66 51.376,67 10.67,68 0.384,69 1.574,70 31.451,71 12.023,72 51.78,73 15.796,74 0.773,75 1.637,76 39.678,77 13.115,78 132.038,79 17.461,80 0.678,81 1.442,82 33.768,83 11.158,84 95.687,85 15.117,86 0.764,87 1.296,88 29.686,89 10.264,90 110.894,91 13.647,92 0.641,93 1.226,94 28.512,95 10.478,96 134.049,97 13.745,98 0.648,99 1.052,100 29.707,101 9.014,102 91.688,103 11.442,104 27,105 47,106 0.279,107 0.578,108 0.718,109 0.801,110 0.825,111 0.832,112 3.44,113 0.947,114 -5.32,115 -5.2,116 -4.86,121 42.3,123 3,124 1,127 4,144 7,145 3,146 2,160 2,168 2,176 11,179 3,180 10,187 13,192 16,200 6,205 1,206 16,214 5,218 2,219 5,227 9,231 6,232 5,239 14,243 2,244 1,251 9,255 2,256 6,264 6,269 8,277 1,281 1484,282 20.016,283 20.016,284 20.016,285 20.016,286 20.016,287 18.077,288 24.956,289 11.555,290 20.379,291 16.23,292 16.23,293 16.23,294 16.23,295 16.23,296 13.207,297 26.669,298 5.486,299 16.821,300 4.019,301 2.22,302 1.374,303 0.875,304 0.731,305 0.692,306 4.134,308 1,311 1,312 1,313 903,314 3.317,317 71.994,318 303.051,321 137.12,325 2.12,326 42.727,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 65.833,338 417,339 4.615,340 3.958,341 6.972,342 4.307,343 3.317,344 4.242,345 2.612,346 11.73,347 3.278,348 4.16,349 3.773,350 5.964,351 3.708,352 2.746,353 3.721,354 1.349,355 8.332,356 2.645,357 4.032,358 3.256,359 5.641,360 3.664,361 2.698,362 3.62,363 0.916,364 7.822,365 2.601,366 3.662,367 3.053,368 5.611,369 3.513,370 2.54,371 2.79,372 0.8,373 7.142,374 2.48,375 3.481,376 2.879,377 5.479,378 3.177,379 2.252,380 2.718,381 0.172,382 6.859,383 2.1,384 3.434,385 2.526,386 5.349,387 3.073,388 2.084,389 2.638,391 6.385,392 2.052,393 3.386,394 2.45,395 5.077,396 3.009,397 2.007,398 2.542,400 6.202,401 1.946,402 3.058,403 2.192,404 4.783,405 2.809,406 1.882,407 2.098,409 5.378,410 1.673,411 2.857,412 1.855,413 3.827,414 2.253,415 1.258,416 1.923,418 2.972,419 1.25,420 2.502,421 1.724,422 3.707,423 2,424 1,425 1.5,427 2.343,428 1,429 2.5,430 1.271,431 3.502,432 1.984,433 1,434 1.414,436 2.275,437 0.983,438 2.137,439 1.077,440 3.414,441 1.947,442 0.921,443 1,445 2.275,446 0.94,447 2,448 1,449 3.414,450 1.868,451 0.861,452 0.988,454 2.081,455 0.861,456 1.504,457 1,458 2.993,459 1.257,460 0.294,461 0.333,463 0.718,464 0.266,465 1.265,466 0.795,467 2.725,468 0.96,469 -0.027,470 -0.032,472 -0.063,473 -0.024,474 14.248,475 0.475,476 0.839,477 0.028,478 37.5,479 1.25,480 18,481 0.6,482 19.5,483 0.65,484 26.345,485 0.878,486 32.552,487 0.626,488 28.597,489 0.953,490 7.125,491 0.238,492 7.293,493 0.243,494 0.144,496 0.365,501 0.431,502 1.274,503 0.598,504 0.989,505 0.453,506 0.932,507 0.539,508 1.09,509 0.712,510 0.931,511 0.397,512 0.945,513 0.701,514 1.176,515 0.885,516 1.144,517 0.556,518 1.092,519 0.928,520 1.05,521 0.893,522 1.014,523 0.885,524 1.031,525 0.885,526 0.835,527 0.692,528 0.79,529 0.914,530 0.842,531 0.629,532 0.917,533 0.9,534 1.057,535 0.709,536 1.075,537 0.793,538 1.021,539 0.808,540 1.01,541 0.867,542 1.059,543 1.189,544 0.911,545 1.375,546 1.029,547 1.216,548 1.113,549 6.5,550 0.169,551 3.778,552 2.549,553 1.538,554 1.039,555 0.845,556 0.405,557 0.187,558 0.227,559 13386,560 43428,561 2.067,562 42.3,563 1,564 15,569 6,572 1.722,573 1.915,574 3.707,575 -0.726,577 1,582 87.453,583 1.682,584 3.481,585 4.327,586 4.825,587 4.97,588 5.008,589 3.219,590 4.24,591 4.876,592 3.908,593 1699.96,594 8.469,595 24705,597 1,599 1,600 296.423,601 1.475,602 4.828,603 0.197,604 0.008,605 0.08,606 0.053,607 0.039,608 0.029,609 0.023,610 0.013,611 0.007,612 0.01,613 0.461,614 0.17,615 1,616 0.758,617 157.48,618 0.135,619 -0.075,620 0.039,621 -0.001,622 0.028,623 -0.001,624 0.119,625 0.05,626 0.02,627 0.034,628 0.158,629 0.002,630 -0.012,631 -0.155,632 -0.02,633 -0.155,634 0.067,635 -0.09,636 -0.023,637 -0.111,638 -0.006,639 -0.056,640 0.038,641 -0.026,642 -0.017,643 0.119,644 0.124,645 0.145,646 -0.044,647 0.161,648 0.251,649 0.064,650 -0.012,651 -0.086,652 0.167,653 -0.083,654 0.1,655 -0.101,656 0.046,657 -0.027,658 0.106,659 -0.041,660 -0.146,661 0.018,662 -0.22,663 -0.023,664 -0.191,665 -0.111,666 2.557,667 5.599,668 0.7,669 34.427,670 1.015,671 1.124,672 4.087,673 16.701,674 0.679,675 3.526,676 3.871,677 4.143,678 4.382,679 4.625,680 4.673,681 4.796,682 4.875,683 4.883,684 4.913,685 7.938,686 0.654,687 427.92,688 3.526,689 5.081,690 5.938,691 6.819,692 7.694,693 8.581,694 9.465,695 10.356,696 11.246,697 12.141,698 5.8,701 1,705 1,709 1,715 7,720 5,722 12,735 1,740 1,741 52,743 16,744 2,745 33,747 55,748 22,749 12,750 5,751 7,752 2,756 4,757 5,758 1,767 2,768 1,770 3,772 14,773 8,774 1,777 4,779 1,782 4,786 2,790 1,793 22,794 6,796 8,797 1,802 3,805 1,808 0.75,809 4,828 1,829 3,832 1,855 1,859 3,865 1,868 30,876 7,880 1,881 2,892 1,893 7.7,896 2,899 2,901 15.667,902 9.326,903 6.5,904 3.298,907 2.317,908 1.295,909 0.975,910 6.072,911 10.168,912 3.784,913 4.344,914 4.848,915 5.334,916 5.838,917 6.024,918 6.312,919 6.347,920 6.404,921 6.298,922 1,923 48,924 11.197,926 4.967,927 0.026,929 8.02,931 21.08,933 17.89,936 2.52,937 75.611,940 1,941 258.964,942 107.584,943 11.919,944 39.149,945 101.037,948 107.584,949 399.15,950 11.919,951 5.67,952 19.151,953 66.334,954 59.699,955 18.938,957 258.964,958 89.896,959 258.964,960 119.502,961 101.037,962 39.149,964 188.338,965 120.916,966 50.747,968 22.275,969 91.557,970 44.819,972 258.964,973 112.955,974 146.732,977 258.964,978 41.25,979 78.252,981 140.185,982 258.964,983 112.955,984 146.732,986 0.592,987 0.345,988 0.175,989 0.1,990 23,991 11,992 0.109,993 6,994 1,995 1.095,996 4.217,997 261.712,998 0.095,999 21,1000 137.207,1005 20.828,1006 8.746,1007 4.528,1009 107.285,1010 11.737,1015 2.179,1018 518.652,1019 43,1021 -0.557,1024 47.047,1028 -0.788,1031 52.774,1032 58.429,1034 0.295,1035 0.611,1036 0.759,1037 0.846,1038 0.872,1039 0.879,1040 5.043,1041 1.882,1042 5.938,1043 6.202,1044 4.554,1045 5.03,1046 2.918,1047 6.756,1048 4.494,1049 6.241,1050 1.258,1051 7.508,1052 5.378,1053 4.205,1054 4.902,1055 2.431,1056 7.676,1057 4.093,1058 7.549,1059 1,1060 9.176,1061 2.972,1062 6.163,1063 7.153,1064 4.267,1065 10.773,1066 6.053,1067 8.887,1068 1,1069 10.9,1070 2.343,1071 6.608,1072 7.819,1073 4.528,1074 12.547,1075 6.467,1076 10.258,1077 0.921,1078 12.662,1079 2.275,1080 8.062,1081 9.589,1082 5.975,1083 15.199,1084 7.917,1085 11.652,1086 0.861,1087 14.451,1088 2.275,1089 8.881,1090 10.621,1091 6.562,1092 17.368,1093 8.722,1094 13.064,1095 0.294,1096 16.262,1097 2.081,1098 10.145,1099 12.202,1100 7.801,1101 19.883,1102 9.978,1103 3.317,1104 -0.027,1105 18.091,1106 0.718,1107 11.15,1108 13.417,1109 8.55,1110 22.227,1111 10.976,1112 2.746,1113 11.73,1114 19.936,1115 -0.063,1116 12.345,1117 14.914,1118 9.672,1119 24.701,1120 12.164,1121 2.698,1122 8.332,1123 21.795,1124 4.242,1125 13.442,1126 16.224,1127 10.509,1128 27.117,1129 13.255,1130 2.54,1131 7.822,1132 23.667,1133 3.721,1134 14.619,1135 17.683,1136 11.564,1137 29.581,1138 14.425,1139 2.252,1140 7.142,1141 25.549,1142 3.62,1143 15.762,1144 19.045,1145 12.452,1146 32.024,1147 15.562,1148 2.084,1149 6.859,1150 27.44,1151 2.79,1152 16.939,1153 20.487,1154 13.468,1155 34.485,1156 16.732,1157 2.007,1158 6.385,1159 29.34,1160 2.718,1161 18.105,1162 21.879,1163 14.386,1164 36.94,1165 17.891,1166 12698,1167 23099,1168 21.789,1169 35.307,1170 50.175,1171 53.351,1172 51.708,1173 49.904,1174 49.721,1175 63.054,1176 11.7,1177 145.027,1178 48.147,1179 5.615,1180 5.958,1181 6.387,1182 5.342,1183 5.317,1184 7.242,1185 4.612,1186 18.926,1187 5.278,1188 16.519,1189 1.52,1190 1.617,1191 1.567,1192 1.512,1193 1.507,1194 1.911,1195 0.355,1196 4.395,1197 1.459,1198 4.07,1199 4.093,1200 4.045,1201 3.953,1202 7.815,1203 3.967,1204 3.952,1205 3.992,1206 3.994,1207 3.875,1208 7.446,1209 3.869,1210 3.829,1211 3.871,1212 3.758,1213 3.723,1214 7.408,1215 3.712,1216 3.679,1217 3.708,1218 3.663,1219 3.376,1220 6.999,1221 3.422,1222 3.415,1223 3.474,1224 3.41,1225 3.178,1226 4.941,1227 3.2,1228 3.209,1229 3.259,1230 3.243,1231 2.989,1232 4.619,1233 3.001,1234 3.111,1235 3.206,1236 3.047,1237 2.941,1238 4.401,1239 2.91,1240 3.05,1241 3.095,1242 2.948,1243 2.879,1244 4.243,1245 2.891,1246 0.14,1247 0.12,1248 0.211,1249 0.131,1250 0.101,1251 4.615,1252 0.129,1253 3.958,1254 0.079,1255 6.972,1256 0.355,1257 4.307,1258 0.099,1259 3.317,1260 4.242,1261 2.612,1262 11.73,1263 3.278,1264 1.931,1265 1.897,1266 2.095,1267 2.072,1268 1.482,1269 2.079,1270 1.913,1271 1.896,1272 1.984,1273 2.065,1274 1.165,1275 2.028,1276 1.837,1277 1.791,1278 1.983,1279 1.944,1280 1.104,1281 1.964,1282 1.52,1283 1.462,1284 1.733,1285 1.766,1286 1.011,1287 1.751,1288 1.256,1289 1.23,1290 1.513,1291 1.661,1292 0.825,1293 1.549,1294 1.217,1295 1.184,1296 1.437,1297 1.47,1298 0.68,1299 1.458,1300 1.153,1301 1.064,1302 1.289,1303 1.376,1304 0.431,1305 1.429,1306 1.046,1307 0.996,1308 1.224,1309 1.254,1310 0.264,1311 1.273,1312 4.205,1314 5.541,1315 2.398,1316 7.066,1317 4.949,1318 8.671,1319 7.195,1320 10.32,1323 5.938,1328 5.971,1332 0.449,1333 3.634,1340 34.019,1341 87.453,1342 181.007,1343 224.997,1344 250.913,1345 258.423,1346 260.423,1347 74.139,1348 7.85,1349 88.13,1350 88.13,1351 23,1352 12.668,1353 4.087,1354 3.459,1355 47.478,1356 145,1357 150,1358 0.16,1359 210.583,1360 377.53,1361 505.581,1362 30623,1363 1.9,1364 21.25,1365 0.708,1366 0.573,1367 21.75,1368 17.177,1369 14.419,1370 0.437,1371 0.316,1372 9.937,1373 13.538,1374 9.733,1375 7.982,1376 14.707,1377 10.414,1378 13.353,1379 0.284,1380 0.177,1381 13.761,1382 8.32,1383 11.317,1384 0.183,1385 0.1,1386 11.605,1387 6.205,1388 8.986,1389 0.114,1390 0.055,1391 9.152,1392 4.314,1393 7.443,1394 0.074,1395 0.032,1396 7.679,1397 3.277,1398 0.259,1399 93.891,1400 0.214,1401 28.943,1402 0.415,1403 160,1404 516.081,1405 190.954,1406 522.018,1407 680.33,1408 480,1409 189,1410 466.134,1411 215.057,1412 475.165,1413 693.35,1414 445,1415 6.62}
{0 CHEMBL124054,1 1.511,2 10.852,3 4.259,4 18.14,5 104.834,6 7.067,7 0.4,8 4.055,9 4.174,10 3.588,11 3.551,12 5.102,13 3.533,14 4.624,15 4.805,16 4.004,17 3.972,18 5.653,19 3.944,20 4.879,21 5.049,22 4.103,23 4.177,24 5.861,25 4.124,26 5.07,27 5.3,28 4.009,29 4.205,30 5.995,31 4.104,32 5.027,33 5.283,34 3.883,35 4.064,36 5.992,37 3.957,38 4.866,39 5.114,40 3.634,41 3.865,42 5.83,43 3.752,44 4.591,45 4.847,46 3.556,47 3.702,48 5.542,49 3.603,50 4.453,51 4.659,52 3.48,53 3.643,54 5.584,55 3.553,56 0.062,57 0.755,58 11.642,59 4.82,60 9.174,61 6.512,62 0.415,63 1.227,64 22.53,65 7.873,66 35.361,67 11.063,68 0.272,69 1.531,70 28.979,71 10.654,72 31.688,73 14.31,74 0.377,75 1.73,76 36.854,77 12.251,78 48.362,79 17.505,80 0.435,81 1.548,82 36.371,83 11.58,84 57.269,85 16.695,86 0.598,87 1.239,88 31.782,89 9.963,90 64.291,91 13.806,92 0.382,93 1.01,94 23.503,95 7.999,96 35.702,97 11.338,98 0.374,99 0.938,100 19.701,101 6.598,102 49.732,103 9.25,104 26,105 45,106 0.254,107 0.587,108 0.787,109 0.87,110 0.883,111 0.883,112 3.34,113 0.918,114 -4.57,115 -4.49,116 -4.23,121 40.4,122 2,123 1,125 1,126 2,127 1,130 1,144 7,145 2,146 3,161 1,168 1,176 10,179 2,180 7,183 2,185 2,187 11,191 1,192 10,197 3,200 9,206 11,211 3,214 4,218 1,219 13,224 2,227 2,231 1,232 4,237 1,239 4,243 2,244 2,247 1,249 2,251 10,255 1,259 1,264 10,268 1,269 2,272 1,277 9,281 1016,282 17.841,283 17.841,284 17.841,285 17.841,286 17.841,287 16.222,288 24.359,289 10.173,290 18.216,291 14.767,292 14.767,293 14.767,294 14.767,295 14.767,296 12.305,297 31.43,298 4.82,299 15.388,300 4.189,301 2.207,302 1.013,303 0.52,304 0.443,305 0.443,306 4.032,311 1,312 1,313 639,314 3.464,317 45.615,318 207.013,321 176.202,325 1.583,326 21.323,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 58.5,338 293,339 4.806,340 4.355,341 7.955,342 4.678,343 3.702,344 4.197,345 2.448,346 15.058,347 3.619,348 4.189,349 3.814,350 6.181,351 3.813,352 2.841,353 3.788,354 2.186,355 8.792,356 2.765,357 3.945,358 3.677,359 6.055,360 3.604,361 2.643,362 3.285,363 0.886,364 8.695,365 2.535,366 3.65,367 2.908,368 5.964,369 3.378,370 2.442,371 2.854,372 0.366,373 7.891,374 2.269,375 3.434,376 2.751,377 5.412,378 3.263,379 2.327,380 2.588,381 0.268,382 6.947,383 2.166,384 3.308,385 2.658,386 4.972,387 3.026,388 2.062,389 2.378,391 5.733,392 1.971,393 2.965,394 2.157,395 4.781,396 2.708,397 1.759,398 2.046,400 5.214,401 1.659,402 2.873,403 1.669,404 4.266,405 2.414,406 1.414,407 2.007,409 3.565,410 1.414,411 2.802,412 1.472,413 4.081,414 2.364,415 1.375,416 1.906,418 3.176,419 1.353,420 2.534,421 1.458,422 3.74,423 2.146,424 1.156,425 1.545,427 2.958,428 1.143,429 1.932,430 1.116,431 3.595,432 1.799,433 0.851,434 0.906,436 2.134,437 0.801,438 1.416,439 0.803,440 3.135,441 1.139,442 0.196,443 0.223,445 0.486,446 0.183,447 1.252,448 0.549,449 2.992,450 1.059,451 0.117,452 0.123,454 0.276,455 0.109,456 1.133,457 0.454,458 2.81,459 0.831,460 -0.125,461 -0.155,463 -0.307,464 -0.119,465 0.787,466 0.228,467 2.681,468 0.41,469 -0.578,470 -0.697,472 -1.387,473 -0.561,474 12.7,475 0.47,476 0.877,477 0.032,478 33,479 1.222,480 15,481 0.556,482 18,483 0.667,484 24.877,485 0.921,486 29.9,487 0.575,488 24.933,489 0.923,490 6.464,491 0.239,492 6.417,493 0.238,494 0.184,495 0.039,496 0.339,501 0.734,502 1.398,503 0.81,504 1.181,505 0.652,506 1.031,507 0.794,508 0.927,509 0.771,510 0.822,511 0.467,512 0.784,513 1.277,514 1.231,515 1.102,516 1.18,517 0.867,518 1.127,519 1.166,520 1.16,521 1.117,522 1.127,523 0.815,524 1.111,525 1.144,526 0.961,527 0.998,528 1.006,529 1.187,530 0.975,531 1.554,532 0.868,533 1.106,534 0.876,535 1.76,536 0.927,537 0.945,538 0.772,539 0.8,540 0.789,541 1.164,542 0.785,543 1.144,544 1.06,545 1.178,546 1.074,547 2.105,548 1.12,549 7,550 0.176,551 4.222,552 3.521,553 1.813,554 1.035,555 0.587,556 0.385,557 0.244,558 0.308,559 8838,560 20656,561 2.066,562 48.1,563 6,564 15,565 1,567 1,569 2,572 1.699,573 1.895,574 3.362,575 -0.346,577 1,582 78.578,583 1.511,584 3.493,585 4.688,586 5.181,587 5.258,588 5.258,589 2.876,590 4.607,591 4.727,592 3.536,593 1241.27,594 8.198,595 15674.1,597 1,599 1,600 296.423,601 1.675,602 4.66,603 0.233,604 0.008,605 0.094,606 0.073,607 0.044,608 0.03,609 0.022,610 0.014,611 0.01,612 0.014,613 0.542,614 0.5,615 1,616 0.627,617 133.225,618 0.084,619 -0.169,620 0.082,621 -0.077,622 -0.052,623 -0.013,624 0.229,625 0.214,626 0.19,627 0.19,628 0.227,629 0.189,630 -0.141,631 -0.143,632 -0.142,633 -0.146,634 -0.069,635 -0.147,636 -0.132,637 -0.152,638 -0.135,639 -0.154,640 -0.001,641 -0.144,642 -0.041,643 -0.015,644 0.013,645 -0.062,646 0.031,647 -0.016,648 -0.123,649 0.009,650 -0.057,651 0.07,652 -0.178,653 0.022,654 0.106,655 0.151,656 0.202,657 0.184,658 0.028,659 0.198,660 0.018,661 -0.023,662 -0.191,663 -0.092,664 -0.123,665 -0.161,666 2.156,667 5.329,668 0.704,669 23.561,670 1,671 1.129,672 3.342,673 11.167,674 0.649,675 3.434,676 3.829,677 4.143,678 4.454,679 4.727,680 4.762,681 4.92,682 5.063,683 5.056,684 5.106,685 6.326,686 0.615,687 367.49,688 3.434,689 5.017,690 5.9,691 6.821,692 7.73,693 8.658,694 9.58,695 10.513,696 11.444,697 12.382,698 5.8,701 1,704 1,705 1,715 7,720 5,722 12,736 1,737 1,741 52,743 13,744 2,745 30,747 55,748 21,749 12,750 5,751 7,756 4,757 7,763 2,764 1,766 1,767 1,770 1,772 13,773 8,777 1,782 1,786 1,790 1,793 25,794 6,795 1,796 6,802 3,808 0.5,809 3,828 1,829 3,832 2,852 1,859 2,864 4,868 27,876 2,877 1,878 2,880 1,881 2,882 1,893 5.8,896 1,897 1,898 1,901 14.25,902 10.567,903 5.736,904 3.046,907 2.179,908 1.281,909 0.96,910 4.622,911 9.925,912 3.638,913 4.22,914 4.736,915 5.274,916 5.777,917 5.905,918 6.231,919 6.517,920 6.638,921 6.858,922 1,923 48,924 10.008,926 4.297,927 0.026,929 7.651,931 19.313,933 16.21,936 2.151,937 58.083,939 1,940 1,941 282.506,942 129.308,943 26.874,945 47.364,948 129.308,949 329.87,950 26.874,951 34.443,952 22.651,953 66.334,954 36.364,955 36.991,956 18.534,957 270.735,959 282.506,960 156.181,961 47.364,964 258.964,965 59.687,966 11.219,968 46.04,969 110.141,972 282.506,973 74.237,974 129.308,977 282.506,978 28.531,979 109.64,980 18.011,981 47.364,982 282.506,983 74.237,984 129.308,986 0.6,987 0.359,988 0.196,989 0.113,990 24,991 11,992 0.055,993 3,994 2,995 1.211,996 3.787,997 241.419,998 0.211,999 19,1000 126.382,1005 18.293,1006 6.823,1007 3.202,1009 74.237,1010 13.421,1015 4.547,1017 18.011,1018 486.051,1019 37,1024 12.329,1028 -0.489,1031 52.007,1032 58.69,1034 0.265,1035 0.613,1036 0.822,1037 0.909,1038 0.922,1039 0.922,1040 4.934,1041 1.414,1042 5.948,1043 5.214,1044 4.511,1045 4.905,1046 3.097,1047 6.874,1048 4.432,1049 6.156,1050 1.375,1051 7.588,1052 3.565,1053 4.369,1054 4.808,1055 2.242,1056 8.219,1057 4.267,1058 7.493,1059 1.156,1060 9.347,1061 3.176,1062 6.252,1063 7.03,1064 4.563,1065 11.371,1066 6.11,1067 8.864,1068 0.851,1069 11.181,1070 2.958,1071 6.929,1072 7.69,1073 4.171,1074 13.626,1075 6.776,1076 10.271,1077 0.196,1078 13.07,1079 2.134,1080 8.374,1081 9.467,1082 6.187,1083 16.436,1084 8.193,1085 11.704,1086 0.117,1087 14.999,1088 0.486,1089 9.416,1090 10.486,1091 6.035,1092 19.012,1093 9.226,1094 13.161,1095 -0.125,1096 16.961,1097 0.276,1098 10.734,1099 12.079,1100 7.856,1101 21.745,1102 10.524,1103 3.702,1104 -0.578,1105 18.948,1106 -0.307,1107 11.931,1108 13.281,1109 7.863,1110 24.418,1111 11.708,1112 2.841,1113 15.058,1114 20.955,1115 -1.387,1116 13.223,1117 14.785,1118 9.547,1119 27.134,1120 12.981,1121 2.643,1122 8.792,1123 22.978,1124 4.197,1125 14.484,1126 16.085,1127 9.674,1128 29.835,1129 14.224,1130 2.442,1131 8.695,1132 25.012,1133 3.788,1134 15.776,1135 17.546,1136 11.254,1137 32.548,1138 15.497,1139 2.327,1140 7.891,1141 27.056,1142 3.285,1143 17.063,1144 18.899,1145 11.479,1146 35.256,1147 16.764,1148 2.062,1149 6.947,1150 29.107,1151 2.854,1152 18.361,1153 20.339,1154 12.973,1155 37.968,1156 18.041,1157 1.759,1158 5.733,1159 31.163,1160 2.588,1161 19.659,1162 21.723,1163 13.282,1164 40.679,1165 19.318,1166 8416,1167 13006,1168 19.592,1169 33.756,1170 46.143,1171 48.163,1172 48.276,1173 45.736,1174 45.767,1175 55.692,1176 12.308,1177 141.848,1178 43.974,1179 5.806,1180 6.355,1181 7.643,1182 5.769,1183 5.702,1184 7.197,1185 4.714,1186 23.416,1187 5.619,1188 14.684,1189 1.538,1190 1.605,1191 1.609,1192 1.525,1193 1.526,1194 1.856,1195 0.41,1196 4.728,1197 1.466,1198 4.073,1199 4.103,1200 4.023,1201 3.976,1202 7.435,1203 3.983,1204 3.925,1205 3.958,1206 3.862,1207 3.854,1208 4.871,1209 3.851,1210 3.685,1211 3.727,1212 3.6,1213 3.524,1214 4.751,1215 3.531,1216 3.432,1217 3.484,1218 3.358,1219 3.167,1220 4.636,1221 3.194,1222 3.29,1223 3.372,1224 3.161,1225 3.057,1226 4.251,1227 3.073,1228 3.273,1229 3.34,1230 3.092,1231 3.034,1232 3.962,1233 3.035,1234 3.169,1235 3.256,1236 2.963,1237 2.995,1238 3.95,1239 2.991,1240 2.98,1241 3.094,1242 2.718,1243 2.758,1244 3.891,1245 2.727,1246 0.16,1247 0.145,1248 0.265,1249 0.156,1250 0.123,1251 4.806,1252 0.14,1253 4.355,1254 0.082,1255 7.955,1256 0.502,1257 4.678,1258 0.121,1259 3.702,1260 4.197,1261 2.448,1262 15.058,1263 3.619,1264 1.923,1265 1.9,1266 2.038,1267 2.028,1268 1.363,1269 2.03,1270 1.905,1271 1.878,1272 2.027,1273 2.001,1274 1.135,1275 2.01,1276 1.73,1277 1.682,1278 1.898,1279 1.933,1280 1.06,1281 1.922,1282 1.349,1283 1.262,1284 1.662,1285 1.622,1286 0.836,1287 1.636,1288 1.282,1289 1.221,1290 1.595,1291 1.572,1292 0.668,1293 1.564,1294 1.21,1295 1.132,1296 1.553,1297 1.456,1298 0.604,1299 1.47,1300 1.155,1301 1.097,1302 1.455,1303 1.418,1304 0.572,1305 1.436,1306 1.024,1307 0.913,1308 1.312,1309 1.297,1310 0.337,1311 1.357,1312 4.111,1314 5.485,1315 2.398,1316 7.06,1317 5.043,1318 8.732,1319 7.391,1320 10.459,1322 8.159,1328 1.837,1329 2.804,1330 11.62,1332 -0.053,1333 4.046,1334 -0.136,1340 32.003,1341 78.578,1342 181.633,1343 243.752,1344 269.403,1345 273.403,1346 273.403,1347 43.04,1348 7.746,1349 54.04,1350 54.04,1351 23,1352 12.881,1353 3.807,1354 3,1355 40.342,1356 104,1357 97,1358 0.194,1359 194.516,1360 341.51,1361 466.379,1362 24648,1364 19.181,1365 0.71,1366 0.598,1367 19.181,1368 16.152,1369 12.881,1370 0.429,1371 0.306,1372 9.031,1373 12.303,1374 8.667,1375 7.23,1376 12.881,1377 9.181,1378 12.399,1379 0.276,1380 0.169,1381 12.399,1382 7.596,1383 10.579,1384 0.171,1385 0.092,1386 10.579,1387 5.678,1388 8.945,1389 0.105,1390 0.048,1391 8.945,1392 4.044,1393 7.733,1394 0.069,1395 0.027,1396 7.733,1397 2.996,1398 0.304,1399 81.223,1400 0.226,1401 25.769,1402 0.535,1403 150,1404 414.83,1405 167.288,1406 394.163,1407 548.27,1408 370,1409 182,1410 421.741,1411 199.876,1412 422.566,1413 621.38,1414 395,1415 6.757}
{0 CHEMBL1240668,1 1.413,2 8.6,3 3.168,4 10.035,5 80.763,6 6.282,7 0.286,8 3.84,9 3.977,10 3.259,11 3.305,12 4.803,13 3.259,14 4.429,15 4.652,16 3.579,17 3.686,18 5.36,19 3.607,20 4.671,21 4.907,22 3.616,23 3.858,24 5.541,25 3.742,26 4.788,27 5.051,28 3.493,29 3.841,30 5.663,31 3.698,32 4.664,33 4.931,34 3.46,35 3.8,36 5.493,37 3.648,38 4.616,39 4.877,40 3.33,41 3.739,42 5.43,43 3.57,44 4.551,45 4.838,46 3.155,47 3.55,48 5.361,49 3.371,50 4.274,51 4.537,52 2.916,53 3.266,54 5.14,55 3.114,56 0.032,57 0.612,58 10.753,59 4.113,60 6.453,61 6,62 0.38,63 0.96,64 19.893,65 6.355,66 26.843,67 9.767,68 0.194,69 1.141,70 24.788,71 8.65,72 25.448,73 12.815,74 0.368,75 1.145,76 28.131,77 9.133,78 46.782,79 13.49,80 0.26,81 1.075,82 24.321,83 8.74,84 29.732,85 12.915,86 0.186,87 1.017,88 23.094,89 8.426,90 27.042,91 12.381,92 0.309,93 0.874,94 21.894,95 7.317,96 31.29,97 10.857,98 0.213,99 0.671,100 16.815,101 5.053,102 23.904,103 7.718,104 20,105 28,106 0.252,107 0.522,108 0.738,109 0.793,110 0.793,111 0.793,112 3.057,113 1.044,114 -3.46,115 -3.44,116 -3.29,121 36.4,122 1,123 3,126 2,127 2,129 1,144 4,145 1,146 1,161 1,176 6,179 3,180 6,187 6,192 5,200 4,206 6,214 5,218 1,219 6,227 7,232 2,239 4,243 2,244 4,251 3,256 1,264 1,269 4,281 496,282 13.19,283 13.19,284 13.19,285 13.19,286 13.19,287 12.361,288 18.57,289 7.917,290 13.525,291 10.336,292 10.336,293 10.336,294 10.336,295 10.336,296 9.004,297 24.428,298 3.752,299 10.844,300 4.046,301 2.527,302 1.313,303 1.006,304 1.006,305 1.006,306 3.713,310 1,311 1,312 1,313 351,314 3.391,318 138.166,325 1.4,326 14.462,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 43,338 172,339 4.215,340 3.763,341 6.402,342 3.954,343 2.992,344 3.745,345 2.208,346 9.731,347 2.882,348 3.906,349 3.312,350 5.819,351 3.64,352 2.716,353 3.091,354 0.916,355 7.923,356 2.493,357 3.628,358 2.714,359 5.412,360 3.35,361 2.396,362 2.794,363 0.655,364 6.85,365 2.277,366 3.198,367 2.297,368 4.995,369 2.962,370 2,371 2.319,372 0.172,373 5.679,374 1.919,375 2.717,376 1.976,377 3.895,378 2.468,379 1.493,380 1.792,381 0.13,382 3.316,383 1.451,384 2.497,385 1.561,386 3.556,387 2.197,388 1.215,389 1.497,391 2.698,392 1.19,393 2.304,394 1.28,395 3.428,396 1.984,397 1,398 1.191,400 2.272,401 0.983,402 2,403 1.077,404 3.285,405 1.967,406 1,407 1,409 2.136,410 0.949,411 1.794,412 0.792,413 3.247,414 1.653,415 0.675,416 0.742,418 1.659,419 0.659,420 1.177,421 0.658,422 2.42,423 0.74,424 -0.225,425 -0.293,427 -0.563,428 -0.213,429 0.64,430 -0.349,431 2.297,432 0.275,433 -0.714,434 -0.742,436 -1.599,437 -0.704,438 0.484,439 -0.591,440 1.73,441 0.202,442 -0.793,443 -0.979,445 -1.912,446 -0.789,447 0.248,448 -0.6,449 1.622,450 -0.001,451 -1,452 -1,454 -2,455 -0.9,457 -0.743,458 1.555,459 -0.049,460 -1,461 -1,463 -2.347,464 -0.946,466 -0.784,467 1.368,468 -0.1,469 -1,470 -1.411,472 -2.624,473 -0.985,474 9.467,475 0.473,476 0.511,477 0.026,478 20.75,479 1.038,480 8,481 0.4,482 12.75,483 0.638,484 17.941,485 0.897,486 23.533,487 0.535,488 14.034,489 0.702,490 3.964,491 0.198,492 5.611,493 0.281,494 0.194,496 0.296,501 0.776,502 1.674,503 0.948,504 1.398,505 0.592,506 1.221,507 0.761,508 0.969,509 0.948,510 0.911,511 0.423,512 0.927,513 0.967,514 1.18,515 1.03,516 1.175,517 0.632,518 1.113,519 1.467,520 0.931,521 1.089,522 0.926,523 1.458,524 0.962,525 0.764,526 0.98,527 0.917,528 1.001,529 0.813,530 0.986,531 0.833,532 1.154,533 1.041,534 1.19,535 0.804,536 1.155,537 0.976,538 0.899,539 0.964,540 0.969,541 0.978,542 0.975,543 1.513,544 1.158,545 1.19,546 1.098,547 1.573,548 1.106,549 4,550 0.05,551 2.222,552 1.313,553 0.853,554 0.479,555 0.364,556 0.252,557 0.132,558 0.084,559 3517,560 7487,561 1.966,562 54.5,563 2,564 15,569 7,572 1.618,573 1.818,574 3.141,575 -0.787,577 1,579 1,582 62.176,583 1.413,584 2.932,585 4.146,586 4.453,587 4.453,588 4.453,589 2.546,590 3.446,591 4.294,592 3.249,593 617.247,594 7.337,595 6368.45,597 1,599 1,600 240.215,601 1.485,602 4.237,603 0.19,604 0.008,605 0.079,606 0.047,607 0.036,608 0.02,609 0.018,610 0.016,611 0.011,612 0.009,613 0.435,614 0.67,615 1,616 1.329,617 88.88,618 0.027,619 -0.344,620 0.066,621 -0.165,622 -0.011,623 -0.065,624 0.268,625 0.21,626 0.079,627 0.115,628 0.223,629 0.084,630 -0.04,631 -0.104,632 -0.044,633 -0.128,634 0.086,635 -0.087,636 -0.177,637 0.016,638 -0.078,639 0.042,640 -0.109,641 -0.001,642 0.045,643 0.011,644 0.037,645 0.018,646 0.021,647 0.024,648 -0.032,649 -0.164,650 -0.092,651 -0.156,652 -0.061,653 -0.136,654 0.058,655 0.012,656 0.008,657 -0.02,658 -0.016,659 -0.019,660 -0.171,661 -0.209,662 -0.169,663 -0.161,664 -0.169,665 -0.168,666 2.007,667 4.588,668 0.6,669 14.68,670 0.99,671 1.136,672 2.232,673 4.981,674 0.62,675 3.091,676 3.367,677 3.555,678 3.689,679 3.871,680 3.784,681 3.871,682 3.85,683 3.761,684 3.611,685 5.238,686 0.574,687 276.42,688 3.091,689 4.595,690 5.407,691 6.248,692 7.081,693 7.926,694 8.766,695 9.614,696 10.458,697 11.308,698 4.5,701 1,705 1,715 4,720 2,722 6,737 1,741 44,743 7,744 1,745 21,747 45,748 16,749 6,750 2,751 4,756 2,757 2,763 1,767 3,770 4,772 7,773 9,777 1,782 1,786 1,789 1,790 1,793 24,794 4,796 4,802 2,808 1,809 2,829 2,855 1,859 2,864 3,868 20,876 5,878 1,880 1,881 2,893 4.5,896 1,898 1,901 11,902 8.65,903 4.5,904 2.814,907 1.25,908 1.202,909 0.916,910 5.296,911 7.432,912 3.258,913 3.701,914 4.099,915 4.496,916 4.944,917 4.986,918 5.222,919 5.361,920 5.282,921 5.121,922 0.833,923 28,924 7.419,926 2.98,927 0.026,929 7.617,931 14.549,933 11.576,936 2.117,937 42.333,938 0.001,941 282.506,942 90.529,943 6.249,945 36.145,948 90.529,949 318.651,950 6.249,951 25.618,952 14.939,953 37.905,954 25.145,955 22.553,956 6.763,957 282.506,959 282.506,960 96.778,961 36.145,964 200.109,965 118.543,968 26.889,969 69.889,972 282.506,973 42.393,974 90.529,977 282.506,978 27.007,979 69.772,981 36.145,982 282.506,983 42.393,984 90.529,986 0.576,987 0.328,988 0.155,989 0.085,990 12,991 6,992 0.089,993 4,995 1,996 3.196,997 139.878,999 12,1000 80.439,1005 15.173,1006 6.98,1007 4.135,1009 42.393,1010 7.856,1015 1.82,1018 415.429,1019 25,1024 11.588,1028 -0.34,1031 43.578,1032 49.983,1034 0.259,1035 0.537,1036 0.759,1037 0.816,1038 0.816,1039 0.816,1040 4.483,1041 1,1042 5.38,1043 2.272,1044 4.043,1045 4.382,1046 2.458,1047 6.129,1048 3.95,1049 5.625,1050 0.675,1051 6.913,1052 2.136,1053 3.611,1054 4.06,1055 1.905,1056 6.934,1057 3.438,1058 6.887,1059 -0.225,1060 8.548,1061 1.659,1062 5.58,1063 6.334,1064 3.555,1065 9.99,1066 5.381,1067 8.179,1068 -0.714,1069 10.242,1070 -0.563,1071 5.943,1072 6.777,1073 3.668,1074 11.597,1075 5.663,1076 9.504,1077 -0.793,1078 11.972,1079 -1.599,1080 7.399,1081 8.59,1082 4.96,1083 14.168,1084 7.099,1085 10.848,1086 -1,1087 13.727,1088 -1.912,1089 8.124,1090 9.386,1091 5.372,1092 16.116,1093 7.752,1094 12.208,1095 -1,1096 15.499,1097 -2,1098 9.364,1099 10.998,1100 6.459,1101 18.507,1102 8.969,1103 2.992,1104 -1,1105 17.284,1106 -2.347,1107 10.264,1108 11.987,1109 7.028,1110 20.618,1111 9.81,1112 2.716,1113 9.731,1114 19.079,1115 -2.624,1116 11.408,1117 13.49,1118 7.994,1119 22.936,1120 10.928,1121 2.396,1122 7.923,1123 20.881,1124 3.745,1125 12.397,1126 14.595,1127 8.654,1128 25.127,1129 11.867,1130 2,1131 6.85,1132 22.689,1133 3.091,1134 13.5,1135 16.034,1136 9.549,1137 27.416,1138 12.941,1139 1.493,1140 5.679,1141 24.504,1142 2.794,1143 14.532,1144 17.214,1145 10.263,1146 29.646,1147 13.932,1148 1.215,1149 3.316,1150 26.322,1151 2.319,1152 15.619,1153 18.611,1154 11.116,1155 31.924,1156 14.988,1157 1,1158 2.698,1159 28.145,1160 1.792,1161 16.675,1162 19.839,1163 11.862,1164 34.175,1165 16.007,1166 3615,1167 5398,1168 13.523,1169 27.296,1170 31.09,1171 32.004,1172 32.078,1173 31.037,1174 30.975,1175 36.342,1176 8.163,1177 84.525,1178 29.604,1179 5.215,1180 5.763,1181 6.204,1182 5.005,1183 4.992,1184 6.745,1185 3.912,1186 16.536,1187 4.882,1188 10.837,1189 1.48,1190 1.524,1191 1.528,1192 1.478,1193 1.475,1194 1.731,1195 0.389,1196 4.025,1197 1.41,1198 3.977,1199 4.016,1200 3.907,1201 3.884,1202 7.433,1203 3.884,1204 3.793,1205 3.845,1206 3.673,1207 3.657,1208 4.816,1209 3.649,1210 3.618,1211 3.685,1212 3.523,1213 3.34,1214 4.356,1215 3.374,1216 3.379,1217 3.455,1218 3.207,1219 3.225,1220 4.263,1221 3.211,1222 3.111,1223 3.206,1224 2.905,1225 2.941,1226 4.068,1227 2.91,1228 3.043,1229 3.063,1230 2.866,1231 2.787,1232 3.916,1233 2.807,1234 2.903,1235 3.02,1236 2.657,1237 2.656,1238 3.497,1239 2.642,1240 2.874,1241 3.009,1242 2.609,1243 2.618,1244 3.474,1245 2.6,1246 0.201,1247 0.179,1248 0.305,1249 0.188,1250 0.142,1251 4.215,1252 0.178,1253 3.763,1254 0.105,1255 6.402,1256 0.463,1257 3.954,1258 0.137,1259 2.992,1260 3.745,1261 2.208,1262 9.731,1263 2.882,1264 1.937,1265 1.906,1266 2.086,1267 2.066,1268 1.42,1269 2.075,1270 1.788,1271 1.731,1272 1.981,1273 1.942,1274 1.172,1275 1.954,1276 1.518,1277 1.445,1278 1.785,1279 1.811,1280 0.847,1281 1.805,1282 1.394,1283 1.321,1284 1.689,1285 1.594,1286 0.825,1287 1.63,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.822,1293 1.429,1294 0.934,1295 0.901,1296 1.417,1297 1.239,1298 0.538,1299 1.308,1300 0.928,1301 0.804,1302 1.304,1303 1.239,1304 0.469,1305 1.249,1306 0.913,1307 0.8,1308 1.142,1309 1.207,1310 0.209,1311 1.189,1312 3.761,1314 5.043,1316 6.521,1318 8.077,1320 9.672,1322 5.587,1328 6.203,1330 5.322,1332 0.369,1333 3.928,1340 25.267,1341 62.176,1342 129.022,1343 182.441,1344 195.95,1345 195.95,1346 195.95,1347 32.1,1348 6.182,1349 32.78,1350 32.78,1351 12,1352 11.867,1353 3,1354 2.322,1355 36.392,1356 62,1357 54,1358 0.292,1359 159.333,1360 278.76,1361 380.532,1362 3235,1364 14.535,1365 0.727,1366 0.632,1367 14.535,1368 12.633,1369 9.575,1370 0.456,1371 0.348,1372 7.2,1373 9.171,1374 6.918,1375 5.832,1376 9.575,1377 7.308,1378 8.507,1379 0.304,1380 0.2,1381 8.507,1382 5.607,1383 6.804,1384 0.2,1385 0.113,1386 6.804,1387 3.849,1388 4.867,1389 0.125,1390 0.065,1391 4.867,1392 2.546,1393 3.892,1394 0.083,1395 0.039,1396 3.892,1397 1.814,1398 0.451,1399 60.165,1400 0.272,1401 19.954,1402 0.816,1403 98,1404 268.761,1405 108.916,1406 254.808,1407 343.42,1408 238,1409 111,1410 249.487,1411 121.809,1412 252.598,1413 364.57,1414 234,1415 7.495}
{0 CHEMBL1241427,1 1.543,2 7.684,3 1.997,4 3.988,5 74.162,6 6.878,7 0.286,8 3.745,9 3.878,10 3.25,11 3.206,12 4.766,13 3.192,14 4.333,15 4.532,16 3.676,17 3.658,18 5.35,19 3.622,20 4.574,21 4.768,22 3.716,23 3.85,24 5.512,25 3.772,26 4.745,27 5.004,28 3.505,29 3.828,30 5.627,31 3.694,32 4.572,33 4.851,34 3.335,35 3.617,36 5.431,37 3.468,38 4.321,39 4.573,40 3.082,41 3.352,42 5.214,43 3.222,44 4.12,45 4.391,46 2.968,47 3.097,48 5.09,49 2.977,50 3.917,51 4.16,52 2.672,53 2.795,54 5.054,55 2.727,56 0.021,57 0.571,58 8.888,59 3.279,60 6.589,61 4.768,62 0.37,63 0.927,64 17.287,65 5.583,66 30.731,67 8.349,68 0.15,69 1.132,70 21.662,71 7.663,72 23.981,73 11.197,74 0.363,75 1.165,76 27.171,77 8.229,78 43.564,79 12.616,80 0.243,81 0.928,82 22.807,83 7.509,84 32.075,85 11.378,86 0.293,87 0.698,88 17.995,89 5.623,90 29.145,91 8.226,92 0.188,93 0.573,94 14.609,95 4.436,96 24.154,97 6.786,98 0.374,99 0.443,100 12.604,101 2.596,102 38.371,103 4.062,104 20,105 32,106 0.283,107 0.63,108 0.812,109 0.873,110 0.873,111 0.873,112 3.012,113 0.936,114 -2.84,115 -2.85,116 -2.76,121 36.8,122 1,123 1,125 1,126 2,127 1,130 1,144 3,145 1,146 2,161 1,176 5,179 1,180 4,183 3,185 3,187 6,192 4,197 4,200 5,206 5,211 2,214 3,219 5,222 1,224 2,227 2,231 1,232 1,237 1,244 2,247 1,248 1,249 2,255 1,259 1,281 383,282 12.574,283 12.574,284 12.574,285 12.574,286 12.574,287 11.733,288 21.185,289 7.041,290 12.921,291 10.26,292 10.26,293 10.26,294 10.26,295 10.26,296 8.856,297 28.999,298 3.248,299 10.764,300 3.704,301 1.811,302 0.816,303 0.481,304 0.481,305 0.481,306 3.682,310 1,311 1,312 1,313 313,314 3.24,317 63.295,318 37.136,320 51.039,321 55.422,324 77.43,325 1.208,326 15.577,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 41.5,338 146,339 4.778,340 3.908,341 7.93,342 4.664,343 3.682,344 4.16,345 2.186,346 14.919,347 3.621,348 3.981,349 3.657,350 6.125,351 3.632,352 2.683,353 3.309,354 0.886,355 8.533,356 2.548,357 3.65,358 2.819,359 5.607,360 3.317,361 2.378,362 2.861,363 0.4,364 7.173,365 2.212,366 3.3,367 2.557,368 5.399,369 3.135,370 2.192,371 2.501,372 0.366,373 6.945,374 2.054,375 3.268,376 2.333,377 4.743,378 2.902,379 1.935,380 2.328,382 5.194,383 1.855,384 2.571,385 1.543,386 4.507,387 2.248,388 1.292,389 1.593,391 3.771,392 1.233,393 2.269,394 1.168,395 4.144,396 2.105,397 1.118,398 1.257,400 2.987,401 1.101,402 1.617,403 1.106,404 3.289,405 1.448,406 0.514,407 0.551,409 1.176,410 0.477,411 1.482,412 0.814,413 2.953,414 1.27,415 0.334,416 0.357,418 0.527,419 0.31,420 1.138,421 0.502,422 2.79,423 0.824,424 -0.143,425 -0.169,427 -0.323,428 -0.136,429 0.665,430 -0.114,431 2.42,432 0.364,433 -0.609,434 -0.707,436 -1.634,437 -0.582,438 0.601,439 -0.559,440 2.402,441 0.168,442 -0.823,443 -1,445 -2.604,446 -0.814,447 0.144,448 -0.687,449 2.265,450 -0.047,451 -1,452 -1.081,454 -2.723,455 -0.945,457 -0.793,458 1.963,459 -0.126,460 -1.098,461 -1.352,463 -2.965,464 -1.058,465 -0.205,466 -0.979,467 1.667,468 -0.443,469 -1.405,470 -1.708,472 -3.405,473 -1.369,474 8.867,475 0.467,476 0.63,477 0.033,478 21.5,479 1.132,480 8.5,481 0.447,482 13,483 0.684,484 16.091,485 0.847,486 21.733,487 0.572,488 14.368,489 0.756,490 4.138,491 0.218,492 4.903,493 0.258,494 0.207,495 0.056,496 0.327,501 0.85,502 1.549,503 0.852,504 1.247,505 0.627,506 1.067,507 0.672,508 0.84,509 0.787,510 0.772,511 0.398,512 0.776,513 0.949,514 1.364,515 1.054,516 1.282,517 0.675,518 1.202,519 1.123,520 0.961,521 1.151,522 1.012,523 0.955,524 1.068,525 0.685,526 0.996,527 0.853,528 1.056,529 0.761,530 0.997,531 1.275,532 0.968,533 1.086,534 1.03,535 1.064,536 1.047,537 0.806,538 1.134,539 0.831,540 1.129,541 1.014,542 1.017,543 2.366,544 0.686,545 1.486,546 0.682,547 3.306,548 0.91,549 5.5,551 3.333,552 2.271,553 1.081,554 0.528,555 0.456,556 0.234,557 0.143,558 0.045,559 2926,560 7195,561 2.038,562 50,563 3,564 11,565 1,567 2,569 2,572 1.605,573 1.854,574 2.911,575 0.393,577 1,579 1,582 58.653,583 1.543,584 3.437,585 4.432,586 4.767,587 4.767,588 4.767,589 2.439,590 4.037,591 4.216,592 3.02,593 516.498,594 7.194,595 4863.19,596 1,597 1,599 1,600 199.421,601 1.747,602 4.142,603 0.262,605 0.104,606 0.071,607 0.045,608 0.026,609 0.03,610 0.018,611 0.016,612 0.011,613 0.584,614 0.83,615 1,616 1.368,617 80.622,618 -0.052,619 -0.239,620 0.064,621 -0.088,622 -0.054,623 -0.004,624 0.264,625 0.346,626 0.175,627 0.263,628 0.24,629 0.22,630 -0.094,631 -0.249,632 -0.122,633 -0.196,634 0.009,635 -0.171,636 -0.18,637 0.022,638 -0.183,639 -0.048,640 -0.085,641 -0.102,642 0.095,643 -0.096,644 0.096,645 -0.069,646 0.043,647 0.003,648 -0.079,649 -0.076,650 -0.09,651 -0.054,652 -0.144,653 -0.078,654 0.189,655 -0.249,656 0.152,657 -0.181,658 0.128,659 -0.05,660 -0.378,661 0.239,662 -0.36,663 0.11,664 -0.481,665 -0.099,666 2.101,667 4.284,668 0.632,669 12.499,670 1.001,671 1.138,672 1.613,673 2.601,674 0.632,675 3.091,676 3.497,677 3.829,678 4.143,679 4.357,680 4.454,681 4.635,682 4.691,683 4.595,684 4.543,685 4.523,686 0.598,687 261.36,688 3.091,689 4.673,690 5.565,691 6.497,692 7.418,693 8.36,694 9.293,695 10.24,696 11.182,697 12.131,698 7.9,701 1,703 1,705 1,715 3,720 3,722 6,734 1,737 1,741 38,743 7,744 1,745 21,747 40,748 14,749 6,750 3,751 3,756 3,757 6,763 1,764 1,766 1,767 1,770 1,772 7,773 7,777 1,782 1,786 1,789 1,790 1,793 19,794 5,795 2,796 5,802 3,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 3,868 19,876 2,877 2,878 1,880 1,881 1,882 1,893 5.3,896 1,898 1,901 10.25,902 7.617,903 4.097,904 2.228,907 1.324,908 1.195,909 0.944,910 2.947,911 8.125,912 3.258,913 3.818,914 4.321,915 4.847,916 5.342,917 5.579,918 5.944,919 6.179,920 6.164,921 6.157,922 1,923 32,924 7.03,926 3.013,927 0.026,929 7.697,931 13.619,933 11.573,936 2.197,937 41.75,938 0.001,941 200.109,942 76.635,943 39.146,945 36.145,948 76.635,949 236.254,950 39.146,951 25.618,952 22.651,953 28.429,954 43.156,955 25.31,956 18.534,957 188.338,959 200.109,960 115.781,961 36.145,964 176.567,965 59.687,968 34.601,969 63.17,970 18.011,972 200.109,973 75.291,974 76.635,977 200.109,978 22.588,979 57.171,980 36.022,981 36.145,982 200.109,983 75.291,984 76.635,986 0.601,987 0.364,988 0.189,989 0.103,990 18,991 8,992 0.05,993 2,994 2,995 1.333,996 3.028,997 148.221,998 0.333,999 12,1000 80.711,1005 12.758,1006 4.389,1007 1.901,1009 75.291,1010 5.799,1015 2.975,1017 36.022,1018 352.035,1019 25,1024 11.284,1028 -0.434,1031 38.029,1032 43.235,1034 0.294,1035 0.655,1036 0.844,1037 0.908,1038 0.908,1039 0.908,1040 4.57,1041 0.514,1042 5.631,1043 2.987,1044 4.174,1045 4.5,1046 2.41,1047 6.592,1048 4.09,1049 5.794,1050 0.334,1051 7.296,1052 1.176,1053 4.111,1054 4.494,1055 1.847,1056 8.046,1057 4.019,1058 7.146,1059 -0.143,1060 9.082,1061 0.527,1062 5.964,1063 6.612,1064 3.516,1065 11.192,1066 5.826,1067 8.536,1068 -0.609,1069 10.945,1070 -0.323,1071 6.723,1072 7.361,1073 3.601,1074 13.516,1075 6.593,1076 9.962,1077 -0.823,1078 12.862,1079 -1.634,1080 8.156,1081 9.06,1082 4.909,1083 16.325,1084 7.999,1085 11.415,1086 -1,1087 14.818,1088 -2.604,1089 9.254,1090 10.144,1091 5.291,1092 18.922,1093 9.102,1094 12.889,1095 -1.098,1096 16.804,1097 -2.723,1098 10.576,1099 11.69,1100 6.388,1101 21.652,1102 10.407,1103 3.682,1104 -1.405,1105 18.813,1106 -2.965,1107 11.803,1108 12.938,1109 6.93,1110 24.325,1111 11.63,1112 2.683,1113 14.919,1114 20.837,1115 -3.405,1116 13.101,1117 14.418,1118 7.902,1119 27.035,1120 12.915,1121 2.378,1122 8.533,1123 22.874,1124 4.16,1125 14.375,1126 15.75,1127 8.539,1128 29.729,1129 14.179,1130 2.192,1131 7.173,1132 24.92,1133 3.309,1134 15.672,1135 17.201,1136 9.436,1137 32.434,1138 15.462,1139 1.935,1140 6.945,1141 26.972,1142 2.861,1143 16.964,1144 18.575,1145 10.13,1146 35.134,1147 16.741,1148 1.292,1149 5.194,1150 29.029,1151 2.501,1152 18.262,1153 20.013,1154 10.981,1155 37.837,1156 18.025,1157 1.118,1158 3.771,1159 31.09,1160 2.328,1161 19.561,1162 21.41,1163 11.71,1164 40.539,1165 19.308,1166 2958,1167 4716,1168 13.523,1169 24.017,1170 32.404,1171 33.575,1172 34.728,1173 32.214,1174 32.255,1175 37.835,1176 7.677,1177 102.449,1178 30.819,1179 5.74,1180 5.908,1181 7.482,1182 5.729,1183 5.682,1184 7.16,1185 3.889,1186 23.348,1187 5.621,1188 10.313,1189 1.543,1190 1.599,1191 1.654,1192 1.534,1193 1.536,1194 1.802,1195 0.366,1196 4.879,1197 1.468,1198 4.079,1199 4.118,1200 4.024,1201 3.985,1202 7.435,1203 3.99,1204 3.71,1205 3.751,1206 3.629,1207 3.564,1208 4.847,1209 3.568,1210 3.515,1211 3.581,1212 3.42,1213 3.206,1214 4.463,1215 3.251,1216 3.243,1217 3.34,1218 3.042,1219 3.037,1220 4.224,1221 3.024,1222 3.107,1223 3.187,1224 2.956,1225 2.88,1226 4.03,1227 2.887,1228 2.974,1229 3.079,1230 2.734,1231 2.752,1232 3.88,1233 2.728,1234 2.886,1235 2.954,1236 2.653,1237 2.629,1238 3.63,1239 2.601,1240 2.775,1241 2.847,1242 2.563,1243 2.569,1244 3.493,1245 2.593,1246 0.228,1247 0.186,1248 0.378,1249 0.222,1250 0.175,1251 4.778,1252 0.198,1253 3.908,1254 0.104,1255 7.93,1256 0.71,1257 4.664,1258 0.172,1259 3.682,1260 4.16,1261 2.186,1262 14.919,1263 3.621,1264 1.901,1265 1.882,1266 2.003,1267 1.99,1268 1.31,1269 1.992,1270 1.609,1271 1.557,1272 1.811,1273 1.81,1274 1.022,1275 1.809,1276 1.528,1277 1.443,1278 1.781,1279 1.772,1280 0.995,1281 1.78,1282 1.397,1283 1.324,1284 1.688,1285 1.709,1286 0.681,1287 1.707,1288 1.017,1289 0.941,1290 1.453,1291 1.306,1292 0.563,1293 1.354,1294 1,1295 0.898,1296 1.291,1297 1.29,1298 0.417,1299 1.3,1300 0.808,1301 0.738,1302 1.084,1303 1.157,1304 0.162,1305 1.145,1306 0.788,1307 0.721,1308 1.057,1309 0.973,1310 0.14,1311 1.013,1312 3.761,1314 5.142,1315 3.045,1316 6.72,1317 5.587,1318 8.395,1319 7.825,1320 10.131,1322 5.959,1328 2.186,1329 6.01,1330 5.218,1332 0.331,1333 2.333,1334 0.089,1340 22.708,1341 58.653,1342 130.609,1343 168.402,1344 181.157,1345 181.157,1346 181.157,1347 26.107,1348 6.8,1349 53.6,1350 53.6,1351 16,1352 12.622,1353 3,1354 2.322,1355 27.786,1356 51,1357 58,1358 0.285,1359 139.549,1360 242.8,1361 332.259,1362 6589,1364 13.621,1365 0.717,1366 0.605,1367 13.621,1368 11.487,1369 9.042,1370 0.431,1371 0.312,1372 6.434,1373 8.605,1374 6.181,1375 5.151,1376 9.042,1377 6.553,1378 8.659,1379 0.271,1380 0.173,1381 8.659,1382 5.542,1383 7.611,1384 0.169,1385 0.096,1386 7.611,1387 4.341,1388 6.223,1389 0.1,1390 0.052,1391 6.223,1392 3.203,1393 5.072,1394 0.066,1395 0.029,1396 5.072,1397 2.222,1398 0.426,1399 57.27,1400 0.272,1401 18.516,1402 0.84,1403 106,1404 287.782,1405 118.332,1406 273.508,1407 376.85,1408 256,1409 130,1410 283.402,1411 141.977,1412 286.053,1413 423.53,1414 267,1415 7.246}
{0 CHEMBL1241457,1 1.608,2 7.947,3 2.244,4 5.037,5 65.194,6 7.803,7 0.286,8 3.677,9 3.76,10 3.281,11 3.087,12 4.78,13 3.128,14 4.268,15 4.391,16 3.722,17 3.466,18 5.508,19 3.504,20 4.419,21 4.573,22 3.674,23 3.591,24 5.488,25 3.596,26 4.424,27 4.601,28 3.506,29 3.488,30 5.535,31 3.466,32 4.296,33 4.474,34 3.328,35 3.28,36 5.464,37 3.261,38 4.002,39 4.196,40 3.017,41 3.039,42 5.04,43 2.993,44 3.868,45 4.068,46 3.037,47 2.936,48 5.136,49 2.886,50 3.87,51 4.087,52 2.773,53 2.795,54 5.043,55 2.742,56 0.132,57 0.459,58 6.808,59 3.233,60 9.161,61 3.743,62 0.772,63 0.709,64 15.266,65 5.219,66 44.023,67 6.358,68 0.543,69 0.823,70 17.939,71 6.296,72 35.434,73 7.652,74 0.6,75 0.776,76 19.061,77 6.2,78 42.99,79 7.825,80 0.756,81 0.652,82 17.496,83 4.942,84 53.773,85 6.311,86 0.468,87 0.506,88 12.784,89 3.888,90 30.927,91 5.177,92 0.44,93 0.461,94 10.878,95 3.492,96 34.409,97 4.996,98 0.488,99 0.43,100 11.704,101 2.924,102 47.544,103 4.143,104 14,105 31,106 0.302,107 0.66,108 0.811,109 0.87,110 0.881,111 0.881,112 3.011,113 0.881,114 -2.62,115 -2.64,116 -2.57,121 38.2,122 2,127 2,131 1,132 1,144 3,145 1,146 2,161 1,176 2,179 4,180 6,183 2,185 1,187 3,192 7,200 3,206 8,211 2,214 1,218 2,219 5,224 2,227 1,231 1,239 2,243 2,244 1,247 2,249 1,251 2,255 1,259 1,269 2,277 1,281 374,282 12.704,283 12.704,284 12.704,285 12.704,286 12.704,287 11.864,288 18.79,289 7.4,290 13.067,291 10.346,292 10.346,293 10.346,294 10.346,295 10.346,296 8.963,297 23.772,298 3.464,299 10.92,300 3.48,301 1.575,302 0.772,303 0.456,304 0.397,305 0.397,306 3.686,311 1,312 1,313 328,314 3.317,317 36.007,318 79.823,319 48.115,322 68.115,323 75.822,325 1.224,326 24.217,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 43.5,338 151,339 4.664,340 4.005,341 7.576,342 4.496,343 3.537,344 4.105,345 2.186,346 13.68,347 3.381,348 3.937,349 3.663,350 5.861,351 3.588,352 2.65,353 3.232,354 2.092,355 8.146,356 2.477,357 3.635,358 3.026,359 5.432,360 3.306,361 2.364,362 2.839,363 0.907,364 7.179,365 2.228,366 3.368,367 2.815,368 5.33,369 3.229,370 2.248,371 2.536,372 0.532,373 6.712,374 2.175,375 3.204,376 2.449,377 4.773,378 2.883,379 1.924,380 2.272,381 0.366,382 5.322,383 1.828,384 2.557,385 1.524,386 4.169,387 2.134,388 1.14,389 1.579,391 3.149,392 1.132,393 2.123,394 1.511,395 3.72,396 1.983,397 1.025,398 1.08,400 1.869,401 0.973,402 1.753,403 1.234,404 3.175,405 1.613,406 0.74,407 0.747,409 1.714,410 0.638,411 1.47,412 0.922,413 3.069,414 1.167,415 0.239,416 0.274,418 0.607,419 0.218,420 0.879,421 0.451,422 2.936,423 0.619,424 -0.312,425 -0.337,427 -0.698,428 -0.287,429 0.691,430 0.066,431 2.486,432 0.433,433 -0.546,434 -0.592,436 -1.162,437 -0.519,438 0.646,439 -0.098,440 2.269,441 0.363,442 -0.648,443 -0.792,445 -1.813,446 -0.651,447 0.438,448 -0.507,449 2.152,450 0.123,451 -0.867,452 -0.993,454 -2.686,455 -0.857,456 0.146,457 -0.69,458 1.917,459 -0.004,460 -1,461 -1.297,463 -2.885,464 -0.995,465 -0.327,466 -0.888,467 1.652,468 -0.514,469 -1.454,470 -1.643,472 -3.643,473 -1.336,474 8.567,475 0.451,476 0.568,477 0.03,478 21.75,479 1.145,480 8.5,481 0.447,482 13.25,483 0.697,484 14.747,485 0.776,486 22.033,487 0.648,488 14.948,489 0.787,490 4.358,491 0.229,492 4.747,493 0.25,494 0.156,495 0.058,496 0.292,501 0.867,502 1.465,503 0.712,504 1.342,505 0.713,506 1.035,507 0.807,508 0.869,509 0.751,510 0.867,511 0.538,512 0.803,513 1.182,514 1.048,515 0.992,516 1.057,517 0.908,518 0.977,519 1.213,520 1.12,521 1.081,522 1.111,523 1.113,524 1.071,525 1.28,526 0.964,527 1.19,528 0.945,529 1.609,530 1.022,531 1.04,532 1.069,533 1.086,534 1.034,535 1.118,536 1.069,537 0.403,538 1.174,539 0.766,540 1.14,541 0.789,542 1.088,543 1.087,544 0.879,545 1.205,546 0.886,547 2.02,548 1.028,549 5.5,550 0.032,551 2.444,552 1.819,553 1.134,554 0.382,555 0.42,556 0.196,557 0.161,558 0.05,559 3098,560 9430,561 2.069,562 44.1,564 7,566 1,567 1,569 6,572 1.603,573 1.916,574 2.95,575 -0.198,577 1,578 1,579 1,582 54.655,583 1.608,584 3.512,585 4.315,586 4.631,587 4.69,588 4.69,589 2.465,590 4.037,591 4.217,592 3.084,593 527.343,594 7.184,595 5028.75,597 1,599 1,600 172.974,601 1.638,602 4.16,603 0.262,604 0.016,605 0.079,606 0.061,607 0.047,608 0.02,609 0.03,610 0.014,611 0.016,612 0.008,613 0.553,614 0.67,615 1,616 1.538,617 81.296,618 -0.084,619 -0.234,620 0.071,621 -0.188,622 -0.116,623 -0.037,624 0.301,625 0.205,626 0.183,627 0.151,628 0.243,629 0.133,630 -0.206,631 -0.011,632 -0.071,633 -0.031,634 -0.115,635 -0.007,636 -0.205,637 -0.161,638 -0.12,639 -0.12,640 -0.091,641 -0.099,642 -0.117,643 -0.024,644 -0.181,645 -0.015,646 -0.208,647 -0.099,648 -0.068,649 -0.112,650 -0.112,651 -0.074,652 -0.152,653 -0.102,654 0.419,655 -0.176,656 0.183,657 -0.167,658 0.373,659 -0.097,660 -0.053,661 0.095,662 -0.187,663 -0.022,664 -0.216,665 -0.117,666 2.147,667 4.399,668 0.632,669 12.161,670 1.027,671 1.131,672 1.389,673 1.93,674 0.636,675 3.091,676 3.466,677 3.738,678 4.06,679 4.29,680 4.407,681 4.522,682 4.522,683 4.615,684 4.554,685 4.708,686 0.626,687 265.29,688 3.091,689 4.654,690 5.517,691 6.435,692 7.324,693 8.25,694 9.153,695 10.082,696 10.994,697 11.925,698 2.9,705 1,715 3,720 3,722 6,737 1,739 1,741 34,743 7,744 1,745 21,747 36,748 13,749 6,750 3,751 3,756 3,757 6,763 2,768 1,772 7,773 6,774 1,777 1,782 1,786 1,789 1,790 1,793 15,794 6,795 1,796 6,802 1,808 0.333,809 5,828 1,829 2,830 1,833 1,834 1,858 2,859 1,864 2,868 19,876 2,877 1,878 4,880 1,882 1,893 14.7,896 1,897 2,898 2,901 9.917,902 6.667,903 4.111,904 2.09,907 1.321,908 1.195,909 0.931,910 3.125,911 8.084,912 3.258,913 3.795,914 4.266,915 4.807,916 5.296,917 5.519,918 5.853,919 6.021,920 6.191,921 6.169,922 1,923 30,924 7.037,926 3.043,927 0.026,929 7.908,931 13.176,933 10.768,936 2.408,937 45.75,938 0.001,941 164.795,942 75.63,943 18.011,945 69.144,948 75.63,949 233.94,950 18.011,951 17.65,952 24.709,953 28.429,954 58.916,955 35.672,956 6.763,957 153.024,958 2.417,959 164.795,960 93.64,961 69.144,964 94.169,965 117.771,966 22,968 44.777,969 48.864,972 164.795,973 87.155,974 75.63,977 167.213,978 27.133,979 46.079,980 18.011,981 69.144,982 164.795,983 87.155,984 75.63,986 0.588,987 0.338,988 0.187,989 0.098,990 17,991 7,992 0.083,993 3,994 3,995 1.417,996 3.099,997 144.762,998 0.5,999 11,1000 80.711,1005 12.721,1006 4.667,1007 2.29,1009 87.155,1010 5.185,1015 1.964,1017 18.011,1018 327.58,1019 25,1024 11.399,1028 -0.481,1031 34.924,1032 38.452,1034 0.316,1035 0.69,1036 0.848,1037 0.91,1038 0.922,1039 0.922,1040 4.549,1041 0.74,1042 5.565,1043 1.869,1044 4.143,1045 4.477,1046 2.975,1047 6.472,1048 4.04,1049 5.757,1050 0.239,1051 7.188,1052 1.714,1053 4.007,1054 4.425,1055 2.279,1056 7.823,1057 3.875,1058 7.093,1059 -0.312,1060 8.929,1061 0.607,1062 5.883,1063 6.571,1064 4.118,1065 10.903,1066 5.681,1067 8.462,1068 -0.546,1069 10.745,1070 -0.698,1071 6.553,1072 7.272,1073 4.166,1074 13.104,1075 6.314,1076 9.867,1077 -0.648,1078 12.615,1079 -1.162,1080 7.985,1081 8.989,1082 5.469,1083 15.834,1084 7.693,1085 11.295,1086 -0.867,1087 14.523,1088 -1.813,1089 9.004,1090 10.034,1091 5.852,1092 18.324,1093 8.672,1094 12.743,1095 -1,1096 16.46,1097 -2.686,1098 10.301,1099 11.587,1100 6.906,1101 20.97,1102 9.923,1103 3.537,1104 -1.454,1105 18.419,1106 -2.885,1107 11.466,1108 12.805,1109 7.459,1110 23.548,1111 11.046,1112 2.65,1113 13.68,1114 20.394,1115 -3.643,1116 12.728,1117 14.286,1118 8.386,1119 26.173,1120 12.265,1121 2.364,1122 8.146,1123 22.383,1124 4.105,1125 13.951,1126 15.594,1127 9.031,1128 28.777,1129 13.445,1130 2.248,1131 7.179,1132 24.38,1133 3.232,1134 15.208,1135 17.04,1136 9.889,1137 31.396,1138 14.658,1139 1.924,1140 6.712,1141 26.384,1142 2.839,1143 16.454,1144 18.396,1145 10.585,1146 34.008,1147 15.86,1148 1.14,1149 5.322,1150 28.394,1151 2.536,1152 17.711,1153 19.825,1154 11.406,1155 36.625,1156 17.074,1157 1.025,1158 3.149,1159 30.408,1160 2.272,1161 18.967,1162 21.207,1163 12.132,1164 39.24,1165 18.285,1166 3085,1167 5479,1168 13.811,1169 21.608,1170 31.995,1171 33.075,1172 33.068,1173 31.653,1174 31.733,1175 37.328,1176 12.165,1177 96.758,1178 30.102,1179 5.611,1180 6.005,1181 7.348,1182 5.576,1183 5.537,1184 7.105,1185 3.889,1186 21.662,1187 5.381,1188 9.028,1189 1.524,1190 1.575,1191 1.575,1192 1.507,1193 1.511,1194 1.778,1195 0.579,1196 4.608,1197 1.433,1198 4.017,1199 4.021,1200 3.974,1201 3.902,1202 7.435,1203 3.915,1204 3.66,1205 3.702,1206 3.586,1207 3.425,1208 5.044,1209 3.451,1210 3.554,1211 3.602,1212 3.434,1213 3.352,1214 4.684,1215 3.357,1216 3.201,1217 3.231,1218 3.064,1219 2.921,1220 4.294,1221 2.96,1222 3.117,1223 3.168,1224 2.966,1225 2.822,1226 4.153,1227 2.858,1228 2.839,1229 2.908,1230 2.676,1231 2.645,1232 4.001,1233 2.628,1234 2.741,1235 2.806,1236 2.575,1237 2.554,1238 3.827,1239 2.564,1240 2.599,1241 2.67,1242 2.394,1243 2.377,1244 3.578,1245 2.368,1246 0.222,1247 0.191,1248 0.361,1249 0.214,1250 0.168,1251 4.664,1252 0.195,1253 4.005,1254 0.104,1255 7.576,1256 0.651,1257 4.496,1258 0.161,1259 3.537,1260 4.105,1261 2.186,1262 13.68,1263 3.381,1264 1.915,1265 1.904,1266 2.004,1267 2.027,1268 1.218,1269 2.015,1270 1.554,1271 1.483,1272 1.843,1273 1.822,1274 0.988,1275 1.825,1276 1.469,1277 1.418,1278 1.713,1279 1.668,1280 0.87,1281 1.682,1282 1.166,1283 1.164,1284 1.387,1285 1.538,1286 0.51,1287 1.476,1288 1.026,1289 0.997,1290 1.26,1291 1.373,1292 0.35,1293 1.341,1294 0.839,1295 0.743,1296 1.192,1297 1.147,1298 0.222,1299 1.179,1300 0.802,1301 0.741,1302 1.092,1303 1.002,1304 0.168,1305 1.035,1306 0.533,1307 0.476,1308 0.863,1309 0.836,1311 0.854,1312 3.761,1314 5.118,1315 2.398,1316 6.676,1317 4.844,1318 8.337,1319 7.034,1320 10.059,1322 3.747,1328 0.929,1329 2.569,1330 21.641,1332 -0.646,1334 -0.557,1340 21.283,1341 54.655,1342 119.41,1343 146.709,1344 157.464,1345 159.464,1346 159.464,1347 26.655,1348 6.763,1349 66.02,1350 66.02,1351 17,1352 12.43,1353 3,1354 2.322,1355 27.862,1356 54,1357 63,1358 0.269,1359 128.357,1360 229.87,1361 304.95,1362 6472,1364 13.458,1365 0.708,1366 0.567,1367 13.458,1368 10.765,1369 9.104,1370 0.434,1371 0.294,1372 6.011,1373 8.491,1374 5.864,1375 4.839,1376 9.104,1377 6.169,1378 8.674,1379 0.28,1380 0.15,1381 8.674,1382 4.644,1383 7.029,1384 0.171,1385 0.076,1386 7.029,1387 3.127,1388 6.213,1389 0.109,1390 0.038,1391 6.213,1392 2.187,1393 4.843,1394 0.067,1395 0.019,1396 4.843,1397 1.402,1398 0.408,1399 58.96,1400 0.269,1401 18.716,1402 0.774,1403 104,1404 383.011,1405 125.758,1406 342.174,1407 464.49,1408 322,1409 124,1410 342.872,1411 143.715,1412 334.519,1413 504.64,1414 313,1415 6.412}
{0 CHEMBL124156,1 1.419,2 15.533,3 4.88,4 23.816,5 119.86,6 6.975,7 0.563,8 4.126,9 4.244,10 3.634,11 3.661,12 5.205,13 3.629,14 4.643,15 4.822,16 3.919,17 4.006,18 5.708,19 3.947,20 4.859,21 5.06,22 3.922,23 4.131,24 5.81,25 4.035,26 4.935,27 5.174,28 3.837,29 4.105,30 5.849,31 3.985,32 4.873,33 5.104,34 3.793,35 4.094,36 5.784,37 3.962,38 4.918,39 5.181,40 3.7,41 4.023,42 5.76,43 3.875,44 4.784,45 5.037,46 3.577,47 3.866,48 5.662,49 3.733,50 4.645,51 4.884,52 3.519,53 3.789,54 5.519,55 3.664,56 0.032,57 0.776,58 12.582,59 5.527,60 8.856,61 7.299,62 0.394,63 1.222,64 22.994,65 8.615,66 36.507,67 11.748,68 0.247,69 1.429,70 28.963,71 11.407,72 34.621,73 15.302,74 0.404,75 1.498,76 32.429,77 11.876,78 48.232,79 16.371,80 0.271,81 1.453,82 29.656,83 11.617,84 38.245,85 16.165,86 0.269,87 1.455,88 31.986,89 11.904,90 41.426,91 16.778,92 0.41,93 1.265,94 28.419,95 9.866,96 44.4,97 13.678,98 0.224,99 1.121,100 24.081,101 8.831,102 28.885,103 12.235,104 13,105 41,106 0.232,107 0.518,108 0.69,109 0.82,110 0.861,111 0.861,112 3.439,113 0.946,114 -4.87,115 -4.78,116 -4.49,121 43.1,123 1,126 2,127 3,144 13,145 3,146 2,161 1,176 15,179 1,180 7,183 2,187 18,192 6,200 15,205 1,206 5,211 2,214 12,218 1,219 4,224 2,227 10,232 6,237 1,239 4,243 1,244 7,247 1,251 2,256 3,264 4,268 1,269 3,274 1,277 8,281 1608,282 20.507,283 20.507,284 20.507,285 20.507,286 20.507,287 18.217,288 20.79,289 12.61,290 20.946,291 15.781,292 15.781,293 15.781,294 15.781,295 15.781,296 12.367,297 26.371,298 5.993,299 16.419,300 4.439,301 2.681,302 1.627,303 0.832,304 0.578,305 0.578,306 4.126,311 1,312 1,313 986,314 3.937,318 358.646,325 2.4,326 18.494,329 1,330 0.83,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.85,337 64,338 466,339 4.244,340 3.66,341 6.143,342 3.865,343 2.87,344 3.889,345 2.186,346 9.054,347 2.859,348 4.105,349 2.988,350 5.681,351 3.723,352 2.761,353 3.688,354 0.916,355 7.996,356 2.661,357 3.8,358 2.949,359 5.328,360 3.397,361 2.462,362 3.302,363 0.86,364 6.921,365 2.307,366 3.672,367 2.73,368 5.289,369 3.368,370 2.427,371 2.885,372 0.366,373 6.813,374 2.257,375 3.378,376 2.628,377 4.862,378 3.115,379 2.161,380 2.59,381 0.172,382 5.592,383 2.042,384 3.27,385 2.17,386 4.584,387 2.821,388 1.84,389 2.514,391 4.813,392 1.8,393 3.08,394 1.913,395 4.447,396 2.758,397 1.784,398 2.167,400 4.52,401 1.727,402 2.675,403 1.623,404 3.589,405 2.35,406 1.398,407 1.746,409 2.976,410 1.322,411 2.652,412 1.279,413 3.497,414 2.181,415 1.189,416 1.719,418 2.665,419 1.177,420 2.5,421 1.17,422 3.462,423 2.121,424 1.13,425 1.5,427 2.579,428 1.117,429 2.5,430 1.101,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.4,439 1,440 3.247,441 2,442 1,443 1.391,445 2.136,446 1,447 1.554,448 1,449 2.966,450 1.359,451 0.441,452 0.477,454 1.007,455 0.401,456 1.507,457 0.733,458 2.819,459 1.298,460 0.383,461 0.409,463 0.558,464 0.346,465 1.187,466 0.629,467 2.549,468 0.829,469 -0.14,470 -0.164,472 -0.35,473 -0.135,474 14.3,475 0.477,476 0.537,477 0.018,478 39,479 1.3,480 20.5,481 0.683,482 18.5,483 0.617,484 22.743,485 0.758,486 32.5,487 0.56,488 29.153,489 0.972,490 8.17,491 0.272,492 6.466,493 0.216,494 0.093,496 0.238,501 0.819,502 1.31,503 0.851,504 1.151,505 0.651,506 1.024,507 0.936,508 0.905,509 0.977,510 0.922,511 0.568,512 0.936,513 1.169,514 1.1,515 1.063,516 1.101,517 0.858,518 1.078,519 1.179,520 0.924,521 1.029,522 0.925,523 1.084,524 0.955,525 0.822,526 1.113,527 1.05,528 1.129,529 0.928,530 1.124,531 0.912,532 1.052,533 0.956,534 1.038,535 0.784,536 1.011,537 1.287,538 0.911,539 1.091,540 0.946,541 1.127,542 0.987,543 1.141,544 1.104,545 1.063,546 1.084,547 0.795,548 1.067,549 5.5,550 0.103,551 2.222,552 1.438,553 0.836,554 0.688,555 0.544,556 0.286,557 0.185,558 0.113,559 14490,560 36654,561 2.051,562 48.3,564 25,567 1,570 2,572 1.719,573 1.957,574 3.905,575 -0.415,582 82.306,583 1.419,584 3.177,585 4.231,586 5.026,587 5.28,588 5.28,589 3.381,590 4.348,591 4.88,592 4.093,593 1780.27,594 8.458,595 27860.1,597 1,600 339.763,601 1.212,602 4.855,603 0.172,604 0.005,605 0.054,606 0.036,607 0.023,608 0.02,609 0.018,610 0.011,611 0.007,612 0.005,613 0.352,614 0.33,615 1,616 0.986,617 161.198,618 -0.004,619 -0.15,620 0.053,621 -0.078,622 -0.037,623 -0.016,624 0.158,625 0.207,626 -0.006,627 0.072,628 0.176,629 0.027,630 -0.1,631 -0.098,632 -0.091,633 -0.088,634 -0.031,635 -0.089,636 -0.075,637 0.047,638 -0.031,639 0.051,640 -0.053,641 0.019,642 0.005,643 -0.121,644 -0.093,645 -0.128,646 -0.053,647 -0.126,648 -0.01,649 -0.113,650 0.029,651 -0.062,653 -0.02,654 -0.058,655 0.052,656 -0.069,658 -0.091,659 -0.033,660 -0.079,661 -0.133,662 -0.07,663 -0.11,664 -0.021,665 -0.093,666 2.13,667 4.339,668 0.6,669 36.88,670 0.994,671 1.121,672 3.645,673 13.286,674 0.66,675 3.497,676 3.738,677 3.912,678 4.094,679 4.263,680 4.22,681 4.277,682 4.29,683 4.205,684 4.205,685 8.993,686 0.621,687 404.55,688 3.497,689 4.99,690 5.79,691 6.619,692 7.432,693 8.266,694 9.084,695 9.921,696 10.742,697 11.58,698 3.4,701 1,705 1,715 13,720 5,722 18,737 1,739 1,741 58,743 19,744 3,745 32,747 60,748 25,749 18,750 5,751 13,756 3,757 3,770 1,772 19,773 6,777 1,782 1,786 1,793 28,794 5,795 1,796 5,802 2,808 1,809 3,829 3,855 1,859 3,864 2,868 30,876 4,877 1,878 2,881 1,893 5.2,896 1,898 2,901 15.333,902 10.783,903 6.861,904 3.372,907 3.119,908 1.431,909 0.957,910 8.306,911 10.362,912 3.761,913 4.27,914 4.747,915 5.261,916 5.77,917 5.821,918 6.126,919 6.367,920 6.454,921 6.619,922 1,923 40,924 11.048,926 4.434,927 0.026,929 7.65,931 21.307,933 16.606,936 2.15,937 64.5,939 1,940 1,941 317.82,942 178.128,943 21.135,945 47.145,948 178.128,949 364.964,950 21.135,951 16.793,952 29.349,953 123.191,954 25.145,955 45.168,956 6.763,957 317.82,959 317.82,960 199.263,961 47.145,964 294.278,965 70.687,968 32.473,969 166.79,972 317.82,973 68.28,974 178.128,977 317.82,978 38.144,979 143.108,980 18.011,981 47.145,982 317.82,983 68.28,984 178.128,986 0.559,987 0.311,988 0.161,989 0.088,990 16,991 7,992 0.167,993 10,995 1,996 4.411,997 234.696,999 18,1000 139.207,1005 21.88,1006 11.388,1007 7.19,1009 68.28,1010 26.103,1015 4.913,1017 18.011,1018 564.228,1019 42,1024 11.339,1028 -0.463,1031 57.672,1032 65.022,1034 0.242,1035 0.542,1036 0.722,1037 0.858,1038 0.901,1039 0.901,1040 4.945,1041 1.398,1042 5.72,1043 4.52,1044 4.419,1045 4.956,1046 2.527,1047 6.409,1048 4.346,1049 6.1,1050 1.189,1051 7.198,1052 2.976,1053 3.761,1054 4.46,1055 1.847,1056 7.034,1057 3.642,1058 7.354,1059 1.13,1060 8.769,1061 2.665,1062 5.894,1063 7.015,1064 3.551,1065 10.071,1066 5.754,1067 8.641,1068 1,1069 10.396,1070 2.579,1071 6.043,1072 7.307,1073 3.603,1074 11.531,1075 5.861,1076 9.956,1077 1,1078 12.059,1079 2.275,1080 7.605,1081 9.335,1082 4.916,1083 14.04,1084 7.414,1085 11.291,1086 0.441,1087 13.747,1088 2.136,1089 8.157,1090 10.031,1091 5.291,1092 15.873,1093 7.937,1094 12.643,1095 0.383,1096 15.454,1097 1.007,1098 9.45,1099 11.791,1100 6.389,1101 18.179,1102 9.224,1103 2.87,1104 -0.14,1105 17.176,1106 0.558,1107 10.22,1108 12.725,1109 6.93,1110 20.193,1111 9.976,1112 2.761,1113 9.054,1114 18.909,1115 -0.35,1116 11.378,1117 14.326,1118 7.902,1119 22.418,1120 11.13,1121 2.462,1122 7.996,1123 20.651,1124 3.889,1125 12.267,1126 15.409,1127 8.539,1128 24.52,1129 12.009,1130 2.427,1131 6.921,1132 22.401,1133 3.688,1134 13.358,1135 16.912,1136 9.436,1137 26.716,1138 13.097,1139 2.161,1140 6.813,1141 24.158,1142 3.302,1143 14.314,1144 18.09,1145 10.13,1146 28.861,1147 14.046,1148 1.84,1149 5.592,1150 25.922,1151 2.885,1152 15.373,1153 19.532,1154 10.981,1155 31.049,1156 15.103,1157 1.784,1158 4.813,1159 27.69,1160 2.59,1161 16.364,1162 20.77,1163 11.71,1164 33.217,1165 16.091,1166 13993,1167 22391,1168 21.553,1169 38.273,1170 45.923,1171 47.157,1172 46.908,1173 45.674,1174 45.691,1175 59.554,1176 9.003,1177 119.809,1178 44.029,1179 5.176,1180 5.66,1181 5.945,1182 4.929,1183 4.87,1184 6.889,1185 3.889,1186 15.117,1187 4.859,1188 13.123,1189 1.435,1190 1.474,1191 1.466,1192 1.427,1193 1.428,1194 1.861,1195 0.281,1196 3.744,1197 1.376,1198 4.008,1199 4.032,1200 3.95,1201 3.954,1202 7.435,1203 3.949,1204 3.934,1205 3.962,1206 3.873,1207 3.855,1208 4.894,1209 3.855,1210 3.761,1211 3.793,1212 3.681,1213 3.677,1214 4.811,1215 3.673,1216 3.655,1217 3.717,1218 3.53,1219 3.483,1220 4.698,1221 3.481,1222 3.527,1223 3.589,1224 3.433,1225 3.217,1226 4.345,1227 3.262,1228 3.338,1229 3.415,1230 3.177,1231 3.124,1232 4.288,1233 3.125,1234 3.034,1235 3.086,1236 2.887,1237 2.876,1238 4.174,1239 2.872,1240 2.976,1241 3.021,1242 2.833,1243 2.8,1244 4.015,1245 2.79,1246 0.133,1247 0.114,1248 0.192,1249 0.121,1250 0.09,1251 4.244,1252 0.122,1253 3.66,1254 0.068,1255 6.143,1256 0.283,1257 3.865,1258 0.089,1259 2.87,1260 3.889,1261 2.186,1262 9.054,1263 2.859,1264 1.984,1265 1.963,1266 2.084,1267 2.054,1268 1.254,1269 2.065,1270 1.91,1271 1.885,1272 2.032,1273 2.022,1274 1.183,1275 2.026,1276 1.754,1277 1.726,1278 1.911,1279 1.886,1280 1.113,1281 1.895,1282 1.635,1283 1.569,1284 1.854,1285 1.816,1286 0.931,1287 1.829,1288 1.404,1289 1.335,1290 1.691,1291 1.73,1292 0.78,1293 1.717,1294 1.317,1295 1.237,1296 1.63,1297 1.567,1298 0.681,1299 1.592,1300 1.006,1301 0.945,1302 1.355,1303 1.265,1304 0.498,1305 1.281,1306 0.964,1307 0.912,1308 1.22,1309 1.194,1310 0.412,1311 1.201,1312 4.174,1314 5.434,1316 6.878,1318 8.403,1320 9.97,1322 3.612,1328 3.263,1329 2.447,1330 11.063,1333 2.223,1340 36.036,1341 82.306,1342 184.248,1343 245.393,1344 291.498,1345 306.253,1346 306.253,1347 47.796,1348 7.244,1349 50.8,1350 50.8,1351 18,1352 12.151,1353 4.322,1354 3.459,1355 55.955,1356 166,1357 140,1358 0.16,1359 224.702,1360 393.25,1361 540.033,1362 16084,1364 21.184,1365 0.706,1366 0.584,1367 21.184,1368 17.506,1369 14.635,1370 0.457,1371 0.315,1372 9.955,1373 14.113,1374 9.65,1375 8.105,1376 14.635,1377 10.092,1378 12.452,1379 0.304,1380 0.174,1381 12.452,1382 7.117,1383 9.827,1384 0.201,1385 0.096,1386 9.827,1387 4.68,1388 7.733,1389 0.131,1390 0.053,1391 7.733,1392 3.155,1393 6.05,1394 0.086,1395 0.029,1396 6.05,1397 2.035,1398 0.267,1399 91.369,1400 0.215,1401 29.634,1402 0.397,1403 146,1404 421.185,1405 159.432,1406 404.168,1407 549.05,1408 380,1409 163,1410 396.533,1411 175.135,1412 403.204,1413 578.81,1414 377,1415 7.263}
{0 CHEMBL1242923,1 1.469,2 14.133,3 2.104,4 4.427,5 116.523,6 6.908,7 0.364,8 4.16,9 4.284,10 3.666,11 3.682,12 5.165,13 3.651,14 4.744,15 4.928,16 4.001,17 4.08,18 5.706,19 4.02,20 5.056,21 5.289,22 4.047,23 4.237,24 5.993,25 4.138,26 5.092,27 5.349,28 3.932,29 4.215,30 5.971,31 4.081,32 5.077,33 5.338,34 3.842,35 4.132,36 6.009,37 3.995,38 4.991,39 5.264,40 3.722,41 4.016,42 5.893,43 3.875,44 4.849,45 5.122,46 3.688,47 3.981,48 5.627,49 3.847,50 4.816,51 5.048,52 3.69,53 4.015,54 5.697,55 3.878,56 0.025,57 0.849,58 13.218,59 5.573,60 6.857,61 7.631,62 0.274,63 1.405,64 25.43,65 9.092,66 24.743,67 12.997,68 0.532,69 1.759,70 36.45,71 12.055,72 56.639,73 17.542,74 0.388,75 1.748,76 37.981,77 13.397,78 47.823,79 19.251,80 0.414,81 1.637,82 38.075,83 12.932,84 68.267,85 18.504,86 0.546,87 1.508,88 35.39,89 11.207,90 69.38,91 16.507,92 0.362,93 1.383,94 29.954,95 10.124,96 35.302,97 15.05,98 0.263,99 1.355,100 28.183,101 10.649,102 39.58,103 14.965,104 5,105 44,106 0.24,107 0.532,108 0.699,109 0.813,110 0.855,111 0.855,112 3.439,113 0.979,114 -3.65,115 -3.62,116 -3.45,121 40.7,123 4,127 5,129 1,144 9,145 1,146 2,160 2,176 10,179 1,180 7,183 1,185 3,187 11,191 2,192 5,197 1,200 6,205 1,206 8,209 1,211 2,214 6,219 5,224 2,227 4,231 2,232 6,237 2,239 5,243 1,244 3,251 4,256 6,259 1,264 5,269 4,277 5,281 1540,282 20.637,283 20.637,284 20.637,285 20.637,286 20.637,287 18.874,288 29.758,289 12.529,290 20.971,291 16.331,292 16.331,293 16.331,294 16.331,295 16.331,296 13.678,297 45.238,298 5.994,299 16.86,300 4.414,301 2.619,302 1.6,303 0.9,304 0.644,305 0.644,306 4.141,311 1,312 1,313 927,314 3.391,318 396.672,322 151.919,325 2.391,326 27.291,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 64.5,338 424,339 4.377,340 3.806,341 6.669,342 4.067,343 3.12,344 3.908,345 2.055,346 10.716,347 2.95,348 3.975,349 3.628,350 5.612,351 3.707,352 2.73,353 3.477,354 1.987,355 7.735,356 2.677,357 3.713,358 2.993,359 5.602,360 3.544,361 2.568,362 2.932,363 0.933,364 7.23,365 2.495,366 3.673,367 2.883,368 5.424,369 3.316,370 2.338,371 2.856,372 0.8,373 7.183,374 2.283,375 3.481,376 2.618,377 5.181,378 3.23,379 2.271,380 2.553,381 0.51,382 6.527,383 2.173,384 3.086,385 2.41,386 4.659,387 2.899,388 1.892,389 2.144,390 0.324,391 4.963,392 1.889,393 3.006,394 2.335,395 4.618,396 2.715,397 1.778,398 2.109,400 4.79,401 1.653,402 2.888,403 1.718,404 3.82,405 2.421,406 1.43,407 2.039,409 3.153,410 1.41,411 2.838,412 1.561,413 3.614,414 2.395,415 1.392,416 1.939,418 2.996,419 1.394,420 2.5,421 1.366,422 3.571,423 2.265,424 1.282,425 1.5,427 2.907,428 1.258,429 2.467,430 1.23,431 3.414,432 2,433 1,434 1.453,436 2.275,437 1,438 2,439 1.077,440 3.322,441 1.984,442 1,443 1,445 2.136,446 0.983,447 1.992,448 1,449 3.247,450 1.768,451 0.818,452 0.939,454 1.927,455 0.772,456 1.615,457 0.947,458 2.953,459 1.316,460 0.361,461 0.406,463 0.854,464 0.34,465 1.215,466 0.71,467 2.805,468 1.043,469 0.071,470 0.078,472 0.179,473 0.069,474 14.2,475 0.473,476 0.571,477 0.019,478 35.5,479 1.183,480 16,481 0.533,482 19.5,483 0.65,484 26.945,485 0.898,486 33.2,487 0.563,488 25.273,489 0.842,490 6.968,491 0.232,492 7.719,493 0.257,494 0.047,496 0.268,501 0.732,502 1.428,503 0.84,504 1.189,505 0.523,506 1.05,507 0.907,508 1.228,509 1.007,510 1.1,511 0.576,512 1.061,513 1.05,514 1.01,515 1.069,516 0.979,517 0.955,518 1.006,519 0.908,520 0.978,521 1.01,522 1.05,523 0.874,524 1.041,525 1.185,526 1.039,527 1.021,528 1.017,529 1.387,530 1.005,531 1.165,532 0.922,533 1.024,534 0.877,535 1.364,536 0.924,537 0.813,538 0.844,539 0.92,540 0.838,541 0.671,542 0.875,543 0.921,544 1.1,545 1.126,546 1.179,547 1.124,548 1.186,549 5,550 0.099,551 2.667,552 1.688,553 1.36,554 0.59,555 0.585,556 0.231,557 0.192,558 0.168,559 14519,560 34935,561 2.128,562 49.2,564 20,567 1,568 2,570 6,572 1.72,573 2.045,574 3.729,575 -0.382,577 1,582 86.646,583 1.469,584 3.264,585 4.283,586 4.982,587 5.239,588 5.239,589 3.194,590 4.507,591 4.881,592 3.965,593 1724.68,594 8.465,595 26072.5,597 1,599 1,600 347.076,601 1.159,602 4.862,603 0.152,604 0.005,605 0.061,606 0.038,607 0.036,608 0.017,609 0.02,610 0.007,611 0.006,612 0.007,613 0.349,614 0.33,615 1,616 0.424,617 159.192,618 -0.008,619 -0.197,620 0.064,621 -0.07,622 0.003,623 -0.006,624 0.023,625 -0.075,626 -0.049,627 -0.081,628 0.031,629 -0.076,630 -0.009,631 0.042,632 -0.079,633 -0.014,634 -0.017,635 -0.045,636 -0.012,637 0.003,638 -0.034,639 -0.074,640 0.019,641 -0.058,642 -0.086,643 -0.115,644 -0.018,645 -0.051,646 -0.06,647 -0.031,648 -0.041,649 0.018,650 -0.008,651 0.053,652 -0.081,653 0.027,654 -0.013,655 0.144,656 0.054,657 0.119,658 -0.023,659 0.103,660 -0.065,661 -0.099,662 -0.171,663 -0.162,664 -0.126,665 -0.181,666 1.645,667 5.268,668 0.733,669 34,670 0.996,671 1.127,672 2.423,673 5.871,674 0.649,675 3.526,676 3.807,677 4.043,678 4.277,679 4.477,680 4.407,681 4.489,682 4.543,683 4.585,684 4.615,685 8.384,686 0.611,687 407.56,688 3.526,689 5.043,690 5.872,691 6.725,692 7.567,693 8.424,694 9.271,695 10.13,696 10.981,697 11.841,698 5.1,701 1,705 2,715 9,720 3,722 12,739 1,741 59,743 14,744 2,745 33,747 62,748 24,749 12,750 3,751 9,756 4,757 5,767 3,770 5,772 14,773 10,777 2,782 2,786 2,790 1,793 29,794 6,795 1,796 6,802 3,808 0.75,809 3,829 4,833 1,843 1,844 1,855 1,859 3,868 30,876 9,877 1,878 1,880 1,881 2,893 5.1,896 2,898 1,901 14.667,902 10.233,903 6.667,904 3.736,907 2,908 1.261,909 0.973,910 7.032,911 9.675,912 3.738,913 4.205,914 4.63,915 5.091,916 5.521,917 5.423,918 5.621,919 5.799,920 5.802,921 5.72,922 1,923 44,924 11.181,926 4.743,927 0.026,929 7.672,931 21.789,933 18.148,936 2.172,937 65.167,941 329.591,942 129.035,943 24.259,945 61.29,948 129.035,949 390.881,950 24.259,952 44.288,953 85.286,954 59.699,955 25.31,957 329.591,959 329.591,960 153.294,961 61.29,964 258.964,965 131.916,968 47.413,969 105.881,972 329.591,973 85.549,974 129.035,977 329.591,978 43.748,979 91.535,980 18.011,981 61.29,982 329.591,983 85.549,984 129.035,986 0.57,987 0.327,988 0.18,989 0.098,990 20,991 8,992 0.113,993 7,994 1,995 1.091,996 4.389,997 250.908,998 0.091,999 22,1000 139.207,1005 20.891,1006 10.098,1007 5.628,1009 85.549,1010 17.57,1015 2.699,1017 18.011,1018 544.175,1019 41,1024 24.531,1028 0.123,1031 58.774,1032 66.521,1034 0.25,1035 0.555,1036 0.728,1037 0.847,1038 0.891,1039 0.891,1040 4.963,1041 1.43,1042 5.82,1043 4.79,1044 4.489,1045 4.89,1046 2.905,1047 6.567,1048 4.425,1049 6.099,1050 1.392,1051 7.332,1052 3.153,1053 3.892,1054 4.425,1055 2.262,1056 7.334,1057 3.791,1058 7.357,1059 1.282,1060 8.945,1061 2.996,1062 6.014,1063 6.857,1064 3.893,1065 10.429,1066 5.873,1067 8.641,1068 1,1069 10.62,1070 2.907,1071 6.256,1072 7.198,1073 3.907,1074 12.089,1075 6.062,1076 9.96,1077 1,1078 12.338,1079 2.275,1080 7.808,1081 9.12,1082 5.13,1083 14.692,1084 7.58,1085 11.301,1086 0.818,1087 14.087,1088 2.136,1089 8.471,1090 9.87,1091 5.448,1092 16.749,1093 8.18,1094 12.661,1095 0.361,1096 15.86,1097 1.927,1098 9.769,1099 11.555,1100 6.454,1101 19.192,1102 9.443,1103 3.12,1104 0.071,1105 17.652,1106 0.854,1107 10.654,1108 12.538,1109 6.932,1110 21.426,1111 10.26,1112 2.73,1113 10.716,1114 19.46,1115 0.179,1116 11.839,1117 14.091,1118 7.816,1119 23.819,1120 11.404,1121 2.568,1122 7.735,1123 21.281,1124 3.908,1125 12.839,1126 15.214,1127 8.387,1128 26.131,1129 12.336,1130 2.338,1131 7.23,1132 23.114,1133 3.477,1134 13.978,1135 16.69,1136 9.2,1137 28.509,1138 13.428,1139 2.271,1140 7.183,1141 24.956,1142 2.932,1143 15.038,1144 17.9,1145 9.825,1146 30.854,1147 14.421,1148 1.892,1149 6.527,1150 26.807,1151 2.856,1152 16.162,1153 19.327,1154 10.596,1155 33.227,1156 15.491,1157 1.778,1158 4.963,1159 28.665,1160 2.553,1161 17.253,1162 20.592,1163 11.255,1164 35.586,1165 16.517,1166 13557,1167 21163,1168 22.652,1169 38.279,1170 48.435,1171 50.026,1172 49.021,1173 48.07,1174 48.102,1175 58.668,1176 13.218,1177 131.141,1178 46.686,1179 5.377,1180 5.806,1181 6.471,1182 5.175,1183 5.12,1184 6.908,1185 3.661,1186 17.858,1187 4.95,1188 10.293,1189 1.468,1190 1.516,1191 1.485,1192 1.457,1193 1.458,1194 1.778,1195 0.401,1196 3.974,1197 1.415,1198 3.994,1199 4.033,1200 3.934,1201 3.884,1202 7.43,1203 3.887,1204 3.929,1205 3.961,1206 3.858,1207 3.846,1208 7.426,1209 3.846,1210 3.853,1211 3.907,1212 3.742,1213 3.709,1214 4.85,1215 3.709,1216 3.603,1217 3.662,1218 3.492,1219 3.443,1220 4.746,1221 3.443,1222 3.483,1223 3.524,1224 3.401,1225 3.27,1226 4.375,1227 3.294,1228 3.383,1229 3.427,1230 3.243,1231 3.197,1232 4.294,1233 3.204,1234 3.111,1235 3.206,1236 2.925,1237 2.941,1238 4.066,1239 2.91,1240 3.076,1241 3.159,1242 2.866,1243 2.852,1244 3.87,1245 2.858,1246 0.133,1247 0.115,1248 0.202,1249 0.123,1250 0.095,1251 4.377,1252 0.118,1253 3.806,1254 0.062,1255 6.669,1256 0.325,1257 4.067,1258 0.089,1259 3.12,1260 3.908,1261 2.055,1262 10.716,1263 2.95,1264 1.922,1265 1.892,1266 2.068,1267 2.071,1268 1.421,1269 2.07,1270 1.915,1271 1.889,1272 2.037,1273 2.035,1274 1.224,1275 2.032,1276 1.837,1277 1.776,1278 2.007,1279 1.985,1280 1.159,1281 2,1282 1.589,1283 1.527,1284 1.83,1285 1.774,1286 1.058,1287 1.793,1288 1.401,1289 1.36,1290 1.595,1291 1.642,1292 0.825,1293 1.627,1294 1.339,1295 1.297,1296 1.563,1297 1.566,1298 0.747,1299 1.567,1300 1.153,1301 1.064,1302 1.513,1303 1.376,1304 0.714,1305 1.429,1306 1.044,1307 0.96,1308 1.352,1309 1.31,1310 0.616,1311 1.329,1312 4.205,1314 5.493,1316 6.98,1318 8.559,1320 10.185,1328 7.032,1329 3.18,1330 5.507,1332 0.255,1333 4.27,1340 36.057,1341 86.646,1342 192.552,1343 252.672,1344 293.957,1345 309.076,1346 309.076,1347 55.123,1348 7.676,1349 61.88,1350 61.88,1351 24,1352 12.393,1353 3.907,1354 3.17,1355 47.522,1356 154,1357 140,1358 0.147,1359 220.366,1360 390.77,1361 529.452,1362 27481,1364 20.761,1365 0.692,1366 0.575,1367 20.761,1368 17.257,1369 14.687,1370 0.445,1371 0.326,1372 10.63,1373 14.159,1374 10.439,1375 8.592,1376 14.687,1377 10.767,1378 12.825,1379 0.291,1380 0.182,1381 12.825,1382 8.001,1383 10.554,1384 0.188,1385 0.104,1386 10.554,1387 5.825,1388 8.825,1389 0.124,1390 0.059,1391 8.825,1392 4.212,1393 7.17,1394 0.082,1395 0.035,1396 7.17,1397 3.005,1398 0.242,1399 91.741,1400 0.21,1401 29.29,1402 0.374,1403 154,1404 424.83,1405 168.855,1406 404.087,1407 546.49,1408 380,1409 177,1410 391.333,1411 192.356,1412 392.696,1413 572.29,1414 371,1415 6}
{0 CHEMBL1242950,1 1.199,2 11.636,3 5.169,4 26.721,5 94.878,6 5.689,7 0.261,8 3.989,9 4.135,10 3.312,11 3.53,12 4.833,13 3.439,14 4.604,15 4.833,16 3.588,17 3.931,18 5.336,19 3.794,20 4.921,21 5.193,22 3.637,23 4.097,24 5.633,25 3.919,26 4.989,27 5.28,28 3.522,29 4.07,30 5.713,31 3.859,32 4.956,33 5.266,34 3.361,35 3.962,36 5.658,37 3.732,38 4.808,39 5.126,40 3.241,41 3.835,42 5.4,43 3.601,44 4.706,45 5.024,46 3.179,47 3.692,48 5.391,49 3.48,50 4.507,51 4.809,52 3.113,53 3.584,54 5.21,55 3.404,56 0.06,57 0.71,58 13.165,59 5.627,60 7.108,61 8.065,62 0.143,63 1.174,64 23.151,65 9.156,66 12.869,67 13.466,68 0.209,69 1.462,70 30.474,71 11.983,72 25.151,73 17.507,74 0.225,75 1.478,76 31.946,77 12.52,78 33.492,79 18.198,80 0.302,81 1.364,82 30.453,83 11.57,84 37.244,85 16.895,86 0.168,87 1.205,88 25.848,89 10.13,90 18.328,91 14.942,92 0.197,93 1.068,94 23.659,95 8.551,96 24.304,97 12.792,98 0.182,99 0.912,100 19.781,101 7.077,102 20.029,103 10.612,104 13,105 29,106 0.205,107 0.447,108 0.698,109 0.82,110 0.844,111 0.844,112 3.144,113 1.176,114 -5.23,115 -5.12,116 -4.79,121 37.7,122 2,123 7,124 1,127 3,144 4,145 2,159 1,176 14,180 5,187 15,192 5,200 12,206 4,214 11,218 1,219 3,227 9,232 3,239 3,244 6,251 4,256 2,264 7,269 1,277 11,281 652,282 14.974,283 14.974,284 14.974,285 14.974,286 14.974,287 14.079,288 14.164,289 9.315,290 15.06,291 11.31,292 11.31,293 11.31,294 11.31,295 11.31,296 9.981,297 15.757,298 4.37,299 11.428,300 4.529,301 3.107,302 1.638,303 0.925,304 0.783,305 0.783,306 3.81,311 1,312 1,313 526,314 3.317,318 166.91,325 1.942,326 12.262,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 45.5,338 256,339 4.31,340 3.628,341 6.385,342 3.966,343 2.951,344 3.916,345 1.277,346 9.619,347 2.993,348 3.66,349 2.877,350 5.492,351 3.623,352 2.658,353 2.683,354 0.8,355 7.39,356 2.576,357 3.423,358 2.647,359 5.132,360 3.2,361 2.236,362 2.633,364 6.382,365 2.159,366 3.215,367 2.341,368 4.898,369 3.043,370 2.024,371 2.22,373 5.334,374 2.037,375 2.862,376 1.512,377 3.88,378 2.442,379 1.443,380 2.016,382 3.188,383 1.441,384 2.608,385 1.478,386 3.591,387 2.414,388 1.414,389 1.624,391 2.912,392 1.414,393 2.435,394 1.359,395 3.465,396 2.266,397 1.273,398 1.43,400 2.657,401 1.264,402 2.129,403 1.308,404 3.414,405 1.984,406 1,407 1.045,409 2.275,410 0.983,411 2,412 1.077,413 3.243,414 1.9,415 0.878,416 1,418 1.965,419 0.892,420 1.392,421 0.585,422 2.639,423 1.365,424 0.367,425 0.372,427 0.638,428 0.366,429 1.093,430 0.286,431 2.374,432 0.923,433 -0.067,434 -0.071,436 -0.136,437 -0.066,438 1,439 0.096,440 2,441 0.734,442 -0.287,443 -0.349,445 -0.6,446 -0.292,447 0.631,448 -0.322,449 2,450 0.406,451 -0.609,452 -0.656,454 -1.231,455 -0.614,456 0.481,457 -0.704,458 1.921,459 0.165,460 -0.85,461 -1,463 -2.015,464 -0.861,466 -0.784,467 1.573,468 -0.049,469 -1,470 -1.132,472 -2.192,473 -0.946,474 10.733,475 0.488,476 0.383,477 0.017,478 20,479 0.909,480 7.5,481 0.341,482 12.5,483 0.568,484 23.55,485 1.07,486 25.867,487 0.488,488 10.901,489 0.495,490 3.223,491 0.147,492 7.479,493 0.34,494 0.124,496 0.224,501 0.679,502 1.413,503 1.1,504 1.294,505 0.554,506 1.234,507 0.932,508 1.181,509 1.114,510 1.138,511 0.559,512 1.128,513 1.053,514 1.048,515 1.053,516 1.048,517 0.884,518 1.046,519 1.093,520 1.085,521 1.049,522 1.089,523 1.083,524 1.07,525 1.313,526 0.917,527 1.003,528 0.919,529 1.489,530 0.943,531 0.712,532 1.002,533 0.9,534 0.972,535 0.648,536 0.95,537 1.323,538 0.934,539 0.91,540 0.86,541 1.326,542 0.858,543 1.65,544 0.741,545 0.998,546 0.742,547 1.431,548 0.805,549 3.5,550 0.095,551 2.222,552 1.125,553 0.684,554 0.444,555 0.304,556 0.224,557 0.119,558 0.092,559 5427,560 8983,561 1.995,562 58.5,563 13,564 10,568 2,569 6,572 1.636,573 1.886,574 3.488,575 -0.896,582 63.561,583 1.199,584 2.621,585 4.09,586 4.803,587 4.945,588 4.945,589 2.959,590 4.005,591 4.429,592 3.657,593 844.743,594 7.564,595 9954.54,600 303.58,601 1.293,602 4.398,603 0.152,604 0.009,605 0.077,606 0.039,607 0.029,608 0.022,609 0.017,610 0.013,611 0.007,612 0.006,613 0.37,614 0.5,615 1,616 1.203,617 104.806,618 0.041,619 -0.104,620 0.039,621 -0.029,622 0.014,623 -0.003,624 -0.039,625 -0.016,626 -0.045,627 -0.043,628 0.027,629 -0.042,630 -0.039,631 -0.006,632 -0.038,633 -0.033,634 0.028,635 -0.033,636 -0.009,637 -0.108,638 -0.061,639 -0.108,640 0.05,641 -0.09,642 0.018,643 0.009,644 -0.023,645 0.012,646 -0.042,647 -0.008,648 0.053,649 -0.064,650 0.041,651 -0.028,652 0.022,653 0.001,654 -0.011,655 -0.003,656 0.07,657 0.046,658 -0.043,659 0.059,660 -0.169,661 0.253,662 0.024,663 0.179,664 -0.112,665 0.127,666 1.365,667 5.259,668 0.545,669 20.479,670 0.975,671 1.131,672 4.004,673 16.033,674 0.62,675 3.178,676 3.401,677 3.584,678 3.714,679 3.829,680 3.689,681 3.664,682 3.664,683 3.638,684 3.638,685 6.72,686 0.559,687 301.52,688 3.178,689 4.654,690 5.451,691 6.271,692 7.084,693 7.909,694 8.728,695 9.556,696 10.377,697 11.205,698 1.9,701 1,715 4,720 2,722 6,727 1,741 53,743 7,744 1,745 23,747 54,748 20,749 6,750 2,751 4,752 1,756 2,757 2,763 2,767 2,768 1,770 7,772 7,773 13,774 1,777 1,782 1,786 1,793 31,794 2,796 2,802 1,808 1,809 1,829 2,855 1,859 2,864 2,868 22,876 10,880 1,881 1,893 1.9,896 1,901 11.667,902 9.783,903 5.139,904 3.842,907 1.068,908 1.169,909 0.925,910 7.12,911 7.397,912 3.332,913 3.726,914 4.123,915 4.487,916 4.813,917 4.64,918 4.673,919 4.563,920 4.471,921 4.58,922 0.875,923 29,924 8.232,926 3.306,927 0.026,929 7.424,931 16.682,933 13.699,936 1.924,937 42.333,938 0.002,940 1,941 364.904,942 91.119,943 3.124,945 25.145,948 91.119,949 390.049,950 3.124,951 17.65,952 24.059,953 37.905,954 30.278,955 9.495,957 364.904,959 364.904,960 94.243,961 25.145,964 294.278,965 95.772,968 44.834,969 49.41,972 364.904,973 28.269,974 91.119,977 364.904,978 35.563,979 58.68,981 25.145,982 364.904,983 28.269,984 91.119,986 0.554,987 0.317,988 0.162,989 0.084,990 11,991 5,992 0.148,993 8,995 1,996 3.568,997 150.395,999 12,1000 92.107,1005 17.215,1006 9.099,1007 5.539,1009 28.269,1010 7.932,1015 2.005,1018 484.292,1019 27,1024 12.259,1028 0.302,1031 51.683,1032 59.936,1034 0.209,1035 0.458,1036 0.714,1037 0.839,1038 0.863,1039 0.863,1040 4.527,1041 1,1042 5.38,1043 2.657,1044 4.078,1045 4.407,1046 1.653,1047 6.08,1048 4.061,1049 5.632,1050 0.878,1051 6.872,1052 2.275,1053 3.434,1054 3.951,1055 0.325,1056 6.804,1057 3.42,1058 6.87,1059 0.367,1060 8.469,1061 1.965,1062 5.557,1063 6.332,1064 1.915,1065 9.851,1066 5.527,1067 8.142,1068 -0.067,1069 10.131,1070 0.638,1071 5.771,1072 6.774,1073 0.268,1074 11.455,1075 5.76,1076 9.454,1077 -0.287,1078 11.835,1079 -0.136,1080 7.313,1081 8.632,1082 2.299,1083 13.992,1084 7.285,1085 10.793,1086 -0.609,1087 13.57,1088 -0.6,1089 7.948,1090 9.515,1091 0.188,1092 15.961,1093 7.948,1094 12.155,1095 -0.85,1096 15.328,1097 -1.231,1098 9.227,1099 11.145,1100 2.732,1101 18.322,1102 9.218,1103 2.951,1104 -1,1105 17.102,1106 -2.015,1107 10.076,1108 12.251,1109 0.125,1110 20.452,1111 10.097,1112 2.658,1113 9.619,1114 18.89,1115 -2.192,1116 11.235,1117 13.767,1118 3.189,1119 22.749,1120 11.255,1121 2.236,1122 7.39,1123 20.689,1124 3.916,1125 12.191,1126 14.989,1127 0.082,1128 24.95,1129 12.24,1130 2.024,1131 6.382,1132 22.497,1133 2.683,1134 13.297,1135 16.442,1136 3.66,1137 27.225,1138 13.352,1139 1.443,1140 5.334,1141 24.312,1142 2.633,1143 14.308,1144 17.727,1145 0.054,1146 29.459,1147 14.39,1148 1.414,1149 3.188,1150 26.133,1151 2.22,1152 15.391,1153 19.144,1154 4.139,1155 31.725,1156 15.485,1157 1.273,1158 2.912,1159 27.959,1160 2.016,1161 16.431,1162 20.463,1163 0.035,1164 33.974,1165 16.548,1166 5468,1167 7167,1168 15.197,1169 32.881,1170 32.588,1171 33.453,1172 33.843,1173 32.492,1174 32.489,1175 37.881,1176 4.155,1177 84.72,1178 32.248,1179 5.31,1180 5.628,1181 6.249,1182 5.001,1183 4.951,1184 6.916,1185 2.555,1186 16.118,1187 4.993,1188 10.447,1189 1.417,1190 1.454,1191 1.471,1192 1.413,1193 1.413,1194 1.647,1195 0.181,1196 3.683,1197 1.402,1198 3.974,1199 4.013,1200 3.904,1201 3.902,1202 7.427,1203 3.898,1204 3.893,1205 3.941,1206 3.771,1207 3.773,1208 4.717,1209 3.764,1210 3.655,1211 3.726,1212 3.498,1213 3.511,1214 4.363,1215 3.499,1216 3.542,1217 3.608,1218 3.376,1219 3.402,1220 4.132,1221 3.384,1222 3.255,1223 3.324,1224 3.106,1225 3.066,1226 3.927,1227 3.065,1228 3.169,1229 3.257,1230 2.96,1231 3.017,1232 3.893,1233 2.993,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.663,1239 2.91,1240 3.052,1241 3.128,1242 2.835,1243 2.868,1244 3.564,1245 2.848,1246 0.187,1247 0.158,1248 0.278,1249 0.172,1250 0.128,1251 4.31,1252 0.17,1253 3.628,1254 0.056,1255 6.385,1256 0.418,1257 3.966,1258 0.13,1259 2.951,1260 3.916,1261 1.277,1262 9.619,1263 2.993,1264 1.943,1265 1.919,1266 2.107,1267 2.063,1268 1.498,1269 2.08,1270 1.887,1271 1.831,1272 2.055,1273 2.015,1274 1.27,1275 2.03,1276 1.668,1277 1.601,1278 1.932,1279 1.85,1280 1.18,1281 1.883,1282 1.559,1283 1.495,1284 1.833,1285 1.737,1286 1.098,1287 1.773,1288 1.236,1289 1.165,1290 1.556,1291 1.471,1292 0.825,1293 1.5,1294 1.206,1295 1.124,1296 1.551,1297 1.418,1298 0.789,1299 1.469,1300 1.153,1301 1.064,1302 1.513,1303 1.376,1304 0.606,1305 1.429,1306 1.057,1307 0.986,1308 1.366,1309 1.295,1310 0.575,1311 1.323,1312 3.85,1314 5.094,1316 6.535,1318 8.067,1320 9.643,1322 4.3,1328 12.038,1332 0.949,1333 2.549,1340 29.638,1341 63.561,1342 138.933,1343 216.786,1344 254.56,1345 262.07,1346 262.07,1347 43.496,1348 6.33,1349 20.31,1350 20.31,1351 12,1352 11.781,1353 3,1354 2.322,1355 42.696,1356 90,1357 94,1358 0.232,1359 186.911,1360 328.17,1361 447.824,1362 4401,1364 15.786,1365 0.718,1366 0.651,1367 15.786,1368 14.313,1369 10.703,1370 0.465,1371 0.392,1372 8.97,1373 10.528,1374 8.673,1375 7.291,1376 10.703,1377 9.016,1378 8.863,1379 0.306,1380 0.233,1381 8.863,1382 6.769,1383 7.113,1384 0.203,1385 0.143,1386 7.113,1387 4.997,1388 5.435,1389 0.136,1390 0.087,1391 5.435,1392 3.475,1393 4.061,1394 0.09,1395 0.056,1396 4.061,1397 2.525,1398 0.379,1399 65.406,1400 0.257,1401 22.489,1402 0.596,1403 104,1404 211.381,1405 108.185,1406 208.613,1407 282.26,1408 196,1409 116,1410 198.749,1411 120.491,1412 204.614,1413 293.61,1414 193,1415 6}
{0 CHEMBL1243012,1 1.476,2 10.24,3 4.06,4 16.481,5 98.98,6 7.03,7 0.429,8 3.972,9 4.097,10 3.5,11 3.503,12 5.007,13 3.478,14 4.539,15 4.719,16 3.921,17 3.942,18 5.562,19 3.897,20 4.801,21 4.991,22 3.968,23 4.118,24 5.746,25 4.036,26 4.968,27 5.227,28 3.806,29 4.086,30 5.865,31 3.958,32 4.856,33 5.127,34 3.691,35 3.87,36 5.823,37 3.752,38 4.577,39 4.803,40 3.474,41 3.618,42 5.618,43 3.544,44 4.31,45 4.521,46 3.436,47 3.541,48 5.371,49 3.463,50 4.324,51 4.529,52 3.322,53 3.524,54 5.421,55 3.439,56 0.032,57 0.707,58 10.657,59 4.41,60 8.048,61 6.018,62 0.355,63 1.175,64 20.301,65 7.522,66 31.842,67 10.624,68 0.172,69 1.475,70 26.492,71 9.955,72 26.253,73 13.983,74 0.312,75 1.6,76 33.398,77 11.068,78 42.544,79 16.31,80 0.328,81 1.286,82 30.818,83 10.427,84 50.999,85 14.842,86 0.476,87 0.935,88 23.788,89 7.397,90 53.233,91 9.671,92 0.21,93 0.827,94 16.839,95 6.207,96 27.635,97 8.524,98 0.361,99 0.835,100 17.551,101 5.61,102 41.769,103 7.628,104 17,105 42,106 0.252,107 0.603,108 0.804,109 0.874,110 0.888,111 0.888,112 3.267,113 0.925,114 -4.31,115 -4.24,116 -4.01,121 41.7,122 2,123 1,125 1,126 1,127 1,130 1,144 7,145 2,146 3,161 1,176 10,179 1,180 4,183 3,185 5,187 11,192 4,197 7,200 9,206 9,211 3,214 4,219 11,222 1,224 2,227 2,231 1,232 3,237 1,239 4,244 2,247 1,248 1,249 2,251 10,255 1,259 1,264 10,274 2,277 9,281 840,282 16.634,283 16.634,284 16.634,285 16.634,286 16.634,287 14.99,288 24.941,289 9.486,290 16.953,291 13.794,292 13.794,293 13.794,294 13.794,295 13.794,296 11.318,297 35.709,298 4.492,299 14.312,300 4.109,301 2.054,302 0.873,303 0.464,304 0.381,305 0.381,306 3.96,310 1,311 1,312 1,313 565,314 3.391,317 96.062,318 134.576,320 77.369,321 81.661,324 114.756,325 1.51,326 18.821,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 53.5,338 256,339 4.778,340 3.908,341 7.93,342 4.664,343 3.682,344 4.16,345 2.186,346 14.919,347 3.621,348 4.19,349 3.679,350 6.126,351 3.814,352 2.842,353 3.788,354 0.886,355 8.722,356 2.765,357 3.969,358 2.913,359 6.053,360 3.615,361 2.656,362 3.305,363 0.4,364 8.513,365 2.541,366 3.625,367 2.808,368 5.606,369 3.283,370 2.343,371 2.85,372 0.366,373 7.156,374 2.184,375 3.297,376 2.554,377 5.391,378 3.132,379 2.188,380 2.507,382 6.933,383 2.053,384 3.268,385 2.332,386 4.786,387 2.894,388 1.922,389 2.328,391 5.335,392 1.852,393 2.875,394 1.669,395 4.511,396 2.414,397 1.414,398 2.039,400 3.804,401 1.414,402 2.805,403 1.543,404 4.146,405 2.371,406 1.387,407 1.913,409 3.537,410 1.36,411 2.571,412 1.472,413 4.08,414 2.244,415 1.283,416 1.593,418 2.987,419 1.229,420 2.268,421 1.168,422 3.596,423 2.104,424 1.118,425 1.256,427 2.957,428 1.1,429 1.602,430 0.869,431 3.289,432 1.423,433 0.471,434 0.514,436 1.159,437 0.446,438 1.406,439 0.6,440 2.996,441 1.117,442 0.162,443 0.188,445 0.391,446 0.153,447 1.14,448 0.44,449 2.82,450 0.844,451 -0.117,452 -0.138,454 -0.286,455 -0.111,456 0.787,457 -0.023,458 2.463,459 0.421,460 -0.541,461 -0.612,463 -1.358,464 -0.513,465 0.663,466 -0.248,467 2.418,468 0.355,469 -0.653,470 -0.851,472 -1.653,473 -0.654,474 11.867,475 0.475,476 0.788,477 0.032,478 31.5,479 1.26,480 15,481 0.6,482 16.5,483 0.66,484 21.472,485 0.859,486 27.133,487 0.565,488 22.254,489 0.89,490 6.031,491 0.241,492 5.939,493 0.238,494 0.154,495 0.042,496 0.329,501 0.835,502 1.337,503 0.832,504 1.104,505 0.645,506 0.981,507 0.623,508 0.948,509 0.789,510 0.859,511 0.4,512 0.838,513 1.013,514 1.363,515 1.093,516 1.244,517 0.731,518 1.189,519 1.026,520 1.033,521 1.098,522 1.068,523 0.763,524 1.071,525 1.139,526 0.929,527 0.849,528 0.965,529 1.241,530 0.887,531 2.402,532 0.721,533 1.177,534 0.731,535 2.343,536 0.809,537 1.1,538 1.056,539 0.931,540 1.051,541 1.345,542 0.995,543 1.899,544 0.805,545 1.351,546 0.865,547 2.697,548 1.015,549 6.5,550 0.134,551 4,552 2.771,553 1.503,554 0.646,555 0.598,556 0.238,557 0.28,558 0.222,559 7423,560 16331,561 2.095,562 47.9,563 6,564 12,565 1,567 2,569 2,572 1.677,573 1.935,574 3.299,575 0.233,577 1,582 70.843,583 1.476,584 3.531,585 4.712,586 5.121,587 5.204,588 5.204,589 2.699,590 4.404,591 4.619,592 3.465,593 1039.64,594 7.971,595 12514.1,597 1,599 1,600 268.078,601 1.643,602 4.557,603 0.232,604 0.007,605 0.095,606 0.066,607 0.046,608 0.022,609 0.025,610 0.01,611 0.013,612 0.011,613 0.527,614 0.5,615 1,616 0.609,617 120.4,618 -0.033,619 -0.13,620 0.063,621 -0.032,622 -0.062,623 0.021,624 0.311,625 0.192,626 0.155,627 0.153,628 0.247,629 0.137,630 -0.094,631 -0.284,632 -0.154,633 -0.229,634 -0.024,635 -0.207,636 -0.096,637 -0.029,638 -0.116,639 -0.123,640 0.017,641 -0.112,642 0.075,643 -0.05,644 0.176,645 -0.009,646 0.095,647 0.085,648 -0.301,649 0.156,650 -0.076,651 0.21,652 -0.31,653 0.106,654 0.093,655 -0.069,656 0.056,657 -0.049,658 0.053,659 -0.017,660 -0.273,661 0.233,662 -0.318,663 0.079,664 -0.433,665 -0.1,666 2.134,667 5.237,668 0.72,669 19.712,670 0.996,671 1.126,672 3.079,673 9.478,674 0.657,675 3.367,676 3.761,677 4.078,678 4.382,679 4.585,680 4.635,681 4.804,682 4.883,683 4.898,684 4.984,685 6.075,686 0.62,687 337.46,688 3.367,689 4.949,690 5.832,691 6.751,692 7.657,693 8.583,694 9.5,695 10.431,696 11.357,697 12.292,698 6.3,701 1,703 1,705 1,715 7,720 5,722 12,734 1,737 1,741 48,743 13,744 2,745 28,747 51,748 20,749 12,750 5,751 7,756 4,757 7,763 2,764 1,766 1,767 1,770 1,772 13,773 7,777 1,782 1,786 1,790 1,793 23,794 5,795 2,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 3,868 25,876 2,877 2,878 1,880 1,881 1,882 1,893 4.2,896 1,898 1,901 12.917,902 9.45,903 5.292,904 2.853,907 2.194,908 1.29,909 0.977,910 3.971,911 9.753,912 3.584,913 4.174,914 4.691,915 5.227,916 5.712,917 5.83,918 6.159,919 6.43,920 6.55,921 6.773,922 0.857,923 42,924 9.267,926 4.01,927 0.026,929 7.623,931 17.997,933 15.359,936 2.123,937 53.083,940 1,941 247.193,942 120.911,943 39.146,945 36.145,948 120.911,949 283.338,950 39.146,951 26.047,952 22.651,953 66.334,954 43.156,955 31.252,956 18.534,957 235.422,959 247.193,960 160.057,961 36.145,964 223.651,965 59.687,968 43.426,969 98.621,970 18.011,972 247.193,973 75.291,974 120.911,977 247.193,978 28.531,979 95.505,980 36.022,981 36.145,982 247.193,983 75.291,984 120.911,986 0.601,987 0.359,988 0.195,989 0.104,990 23,991 10,992 0.059,993 3,994 2,995 1.222,996 3.683,997 215.673,998 0.222,999 18,1000 114.096,1005 16.431,1006 6.042,1007 2.794,1009 75.291,1010 13.49,1015 4.693,1017 36.022,1018 443.395,1019 35,1024 12.237,1028 -0.467,1031 47.796,1032 54.066,1034 0.264,1035 0.632,1036 0.844,1037 0.917,1038 0.932,1039 0.932,1040 4.875,1041 1.387,1042 5.878,1043 3.804,1044 4.443,1045 4.86,1046 2.41,1047 6.801,1048 4.373,1049 6.099,1050 1.283,1051 7.516,1052 3.537,1053 4.29,1054 4.758,1055 1.847,1056 8.155,1057 4.205,1058 7.438,1059 1.118,1060 9.273,1061 2.987,1062 6.184,1063 6.995,1064 3.516,1065 11.298,1066 6.062,1067 8.812,1068 0.471,1069 11.108,1070 2.957,1071 6.868,1072 7.651,1073 3.601,1074 13.567,1075 6.743,1076 10.221,1077 0.162,1078 12.999,1079 1.159,1080 8.316,1081 9.435,1082 4.909,1083 16.365,1084 8.166,1085 11.657,1086 -0.117,1087 14.932,1088 0.391,1089 9.363,1090 10.444,1091 5.291,1092 18.942,1093 9.212,1094 13.114,1095 -0.541,1096 16.897,1097 -0.286,1098 10.681,1099 12.038,1100 6.388,1101 21.666,1102 10.513,1103 3.682,1104 -0.653,1105 18.887,1106 -1.358,1107 11.878,1108 13.227,1109 6.93,1110 24.332,1111 11.704,1112 2.842,1113 14.919,1114 20.896,1115 -1.653,1116 13.167,1117 14.73,1118 7.902,1119 27.04,1120 12.979,1121 2.656,1122 8.722,1123 22.92,1124 4.16,1125 14.424,1126 16.016,1127 8.539,1128 29.732,1129 14.226,1130 2.343,1131 8.513,1132 24.956,1133 3.788,1134 15.712,1135 17.473,1136 9.436,1137 32.436,1138 15.5,1139 2.188,1140 7.156,1141 27,1142 3.305,1143 16.994,1144 18.813,1145 10.13,1146 35.135,1147 16.769,1148 1.922,1149 6.933,1150 29.051,1151 2.85,1152 18.287,1153 20.247,1154 10.981,1155 37.838,1156 18.047,1157 1.414,1158 5.335,1159 31.107,1160 2.507,1161 19.579,1162 21.618,1163 11.71,1164 40.54,1165 19.325,1166 7009,1167 10525,1168 18.493,1169 31.54,1170 43.305,1171 44.222,1172 45.028,1173 42.922,1174 42.933,1175 52.88,1176 7.677,1177 132.824,1178 41.44,1179 5.74,1180 5.908,1181 7.618,1182 5.755,1183 5.682,1184 7.16,1185 3.889,1186 23.348,1187 5.621,1188 12.477,1189 1.547,1190 1.579,1191 1.608,1192 1.533,1193 1.533,1194 1.889,1195 0.274,1196 4.744,1197 1.48,1198 4.083,1199 4.121,1200 4.028,1201 3.988,1202 7.435,1203 3.993,1204 3.926,1205 3.959,1206 3.863,1207 3.855,1208 4.855,1209 3.852,1210 3.699,1211 3.742,1212 3.615,1213 3.562,1214 4.748,1215 3.566,1216 3.383,1217 3.409,1218 3.331,1219 3.086,1220 4.454,1221 3.14,1222 3.237,1223 3.33,1224 3.037,1225 3.032,1226 4.141,1227 3.02,1228 3.169,1229 3.256,1230 2.966,1231 3.011,1232 3.914,1233 2.995,1234 3.064,1235 3.153,1236 2.923,1237 2.852,1238 3.882,1239 2.856,1240 2.951,1241 3.065,1242 2.7,1243 2.743,1244 3.841,1245 2.719,1246 0.171,1247 0.14,1248 0.283,1249 0.167,1250 0.131,1251 4.778,1252 0.149,1253 3.908,1254 0.078,1255 7.93,1256 0.533,1257 4.664,1258 0.129,1259 3.682,1260 4.16,1261 2.186,1262 14.919,1263 3.621,1264 1.918,1265 1.893,1266 2.036,1267 2.021,1268 1.31,1269 2.024,1270 1.895,1271 1.872,1272 2.001,1273 1.975,1274 1.135,1275 1.984,1276 1.608,1277 1.556,1278 1.809,1279 1.81,1280 1.022,1281 1.808,1282 1.527,1283 1.443,1284 1.781,1285 1.75,1286 0.994,1287 1.772,1288 1.214,1289 1.179,1290 1.553,1291 1.535,1292 0.604,1293 1.475,1294 1.191,1295 1.124,1296 1.453,1297 1.418,1298 0.563,1299 1.466,1300 1.015,1301 0.902,1302 1.332,1303 1.291,1304 0.417,1305 1.353,1306 0.959,1307 0.878,1308 1.27,1309 1.246,1310 0.271,1311 1.264,1312 4.043,1314 5.416,1315 3.045,1316 6.982,1317 5.587,1318 8.641,1319 7.825,1320 10.354,1322 6.368,1328 2.152,1329 6.389,1330 5.527,1332 0.304,1333 2.339,1334 0.052,1340 29.762,1341 70.843,1342 169.472,1343 226.162,1344 245.814,1345 249.814,1346 249.814,1347 36.457,1348 7.559,1349 53.6,1350 53.6,1351 22,1352 12.793,1353 3.807,1354 3,1355 36.097,1356 92,1357 83,1358 0.194,1359 180.927,1360 315.42,1361 433.223,1362 19662,1364 17.604,1365 0.704,1366 0.592,1367 17.604,1368 14.797,1369 11.97,1370 0.428,1371 0.308,1372 8.52,1373 11.555,1374 8.202,1375 6.829,1376 11.97,1377 8.63,1378 11.508,1379 0.274,1380 0.172,1381 11.508,1382 7.232,1383 9.908,1384 0.171,1385 0.095,1386 9.908,1387 5.519,1388 8.413,1389 0.106,1390 0.051,1391 8.413,1392 4,1393 6.792,1394 0.07,1395 0.028,1396 6.792,1397 2.702,1398 0.304,1399 74.691,1400 0.233,1401 24.189,1402 0.531,1403 140,1404 355.782,1405 152.998,1406 345.54,1407 481.99,1408 324,1409 170,1410 367.247,1411 182.809,1412 373.568,1413 550.82,1414 350,1415 7.398}
{0 CHEMBL1243076,1 1.455,2 9.577,3 3.934,4 15.476,5 103.009,6 6.892,7 0.414,8 4.025,9 4.151,10 3.539,11 3.548,12 5.041,13 3.518,14 4.603,15 4.795,16 3.945,17 3.986,18 5.591,19 3.937,20 4.859,21 5.051,22 4.026,23 4.188,24 5.757,25 4.102,26 5.057,27 5.308,28 3.958,29 4.235,30 5.89,31 4.116,32 4.99,33 5.225,34 3.942,35 4.228,36 5.848,37 4.097,38 5.032,39 5.296,40 3.896,41 4.198,42 5.848,43 4.061,44 4.895,45 5.128,46 3.79,47 4.096,48 5.807,49 3.956,50 4.856,51 5.13,52 3.478,53 3.868,54 5.762,55 3.7,56 0.032,57 0.747,58 11.558,59 4.727,60 8.62,61 6.551,62 0.407,63 1.25,64 22.239,65 7.796,66 33.963,67 11.242,68 0.174,69 1.557,70 28.394,71 10.898,72 27.496,73 15.38,74 0.411,75 1.77,76 36.506,77 12.201,78 45.631,79 17.903,80 0.26,81 1.668,82 33.172,83 12.796,84 35.362,85 18.319,86 0.38,87 1.638,88 35.701,89 13.203,90 42.586,91 18.893,92 0.274,93 1.481,94 30.343,95 11.742,96 36.757,97 16.575,98 0.432,99 1.309,100 30.75,101 10.215,102 52.957,103 14.758,104 20,105 43,106 0.245,107 0.573,108 0.768,109 0.854,110 0.863,111 0.863,112 3.306,113 0.939,114 -4.26,115 -4.2,116 -3.97,121 41.2,122 1,123 1,125 1,126 2,127 2,130 1,144 8,145 2,146 2,161 1,176 11,179 2,180 8,183 2,187 12,192 10,200 8,206 8,211 2,214 6,218 1,219 8,224 2,227 12,231 1,232 3,237 1,239 14,243 1,244 4,247 1,249 2,251 11,255 1,256 2,259 1,264 4,269 3,274 1,281 920,282 17.557,283 17.557,284 17.557,285 17.557,286 17.557,287 15.99,288 25.345,289 10.148,290 17.937,291 14.247,292 14.247,293 14.247,294 14.247,295 14.247,296 11.831,297 34.993,298 4.759,299 14.819,300 4.217,301 2.275,302 1.118,303 0.608,304 0.554,305 0.554,306 3.999,310 1,311 1,312 1,313 538,314 3.536,317 91.329,318 124.46,320 74.227,321 82.204,324 112.225,325 1.698,326 17.268,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 55.5,338 249,339 4.839,340 3.983,341 8.013,342 4.72,343 3.744,344 4.211,345 2.186,346 15.366,347 3.661,348 3.981,349 3.658,350 6.289,351 3.656,352 2.696,353 3.453,354 1.013,355 9.221,356 2.598,357 3.924,358 2.949,359 6.211,360 3.594,361 2.635,362 3.315,363 0.763,364 8.691,365 2.524,366 3.668,367 2.818,368 5.451,369 3.331,370 2.381,371 2.88,372 0.366,373 7.158,374 2.249,375 3.474,376 2.561,377 5.331,378 3.271,379 2.317,380 2.609,381 0.191,382 6.862,383 2.181,384 3.297,385 2.458,386 4.853,387 2.951,388 1.988,389 2.428,391 5.298,392 1.897,393 2.917,394 1.777,395 4.68,396 2.533,397 1.561,398 2.074,400 4.488,401 1.516,402 2.608,403 1.507,404 4.214,405 2.345,406 1.372,407 1.625,409 3.132,410 1.329,411 2.517,412 1.171,413 3.91,414 2.127,415 1.133,416 1.522,418 3.023,419 1.125,420 2.5,421 1.106,422 3.549,423 2,424 1,425 1.5,427 2.136,428 1,429 1.823,430 1,431 3.247,432 1.723,433 0.757,434 0.797,436 1.983,437 0.729,438 1.512,439 0.921,440 3.13,441 1.31,442 0.397,443 0.423,445 0.621,446 0.358,447 1.295,448 0.673,449 2.938,450 0.959,451 -0.011,452 -0.012,454 -0.026,455 -0.01,456 1.063,457 0.232,458 2.7,459 0.818,460 -0.147,461 -0.17,463 -0.344,464 -0.139,465 0.673,466 -0.115,467 2.549,468 0.411,469 -0.562,470 -0.659,472 -1.423,473 -0.542,474 12.367,475 0.476,476 0.733,477 0.028,478 31.75,479 1.221,480 14.5,481 0.558,482 17.25,483 0.663,484 23.735,485 0.913,486 28.433,487 0.558,488 23.519,489 0.905,490 6.223,491 0.239,492 6.302,493 0.242,494 0.148,495 0.04,496 0.307,501 0.812,502 1.438,503 0.842,504 1.17,505 0.62,506 1.03,507 0.756,508 0.859,509 0.851,510 0.792,511 0.435,512 0.809,513 0.952,514 1.345,515 1.046,516 1.228,517 0.686,518 1.164,519 1.181,520 0.92,521 1.082,522 0.904,523 0.888,524 0.958,525 0.706,526 1.129,527 1.008,528 1.16,529 0.731,530 1.129,531 0.883,532 0.845,533 0.881,534 0.88,535 0.711,536 0.886,537 0.805,538 1.172,539 1.074,540 1.244,541 0.852,542 1.21,543 1.264,544 0.932,545 1.131,546 1.01,547 1.665,548 1.053,549 6,550 0.054,551 3.556,552 3.083,553 1.602,554 1.205,555 0.776,556 0.482,557 0.275,558 0.115,559 7156,560 16818,561 2.092,562 49,563 3,564 18,565 1,567 1,569 2,572 1.697,573 1.938,574 3.176,575 -0.37,577 1,582 74.204,583 1.455,584 3.398,585 4.554,586 5.064,587 5.118,588 5.118,589 2.738,590 4.393,591 4.662,592 3.348,593 1088.11,594 8.121,595 12919.8,597 1,599 1,600 289.294,601 1.619,602 4.616,603 0.207,604 0.006,605 0.083,606 0.069,607 0.039,608 0.03,609 0.02,610 0.015,611 0.013,612 0.01,613 0.49,614 0.33,615 1,616 1.139,617 124.311,618 -0.003,619 -0.221,620 0.075,621 -0.08,622 -0.035,623 -0.007,624 0.254,625 0.304,626 0.12,627 0.204,628 0.213,629 0.16,630 -0.062,631 -0.266,632 -0.101,633 -0.191,634 -0.001,635 -0.16,636 -0.171,637 0.102,638 -0.095,639 0.053,640 -0.05,641 0.003,642 0.036,643 -0.127,644 -0.065,645 -0.14,647 -0.119,648 0.012,649 0.088,650 0.092,651 0.117,652 -0.02,653 0.114,654 0.055,655 -0.194,656 -0.121,657 -0.224,658 -0.02,659 -0.204,660 -0.056,661 -0.017,662 -0.116,663 -0.07,664 -0.155,665 -0.099,666 2.102,667 4.595,668 0.692,669 23.982,670 0.994,671 1.127,672 3.034,673 9.203,674 0.653,675 3.401,676 3.784,677 4.127,678 4.489,679 4.762,680 4.92,681 5.159,682 5.303,683 5.357,684 5.389,685 5.59,686 0.614,687 351.49,688 3.401,689 4.977,690 5.866,691 6.797,692 7.719,693 8.666,694 9.606,695 10.563,696 11.513,697 12.476,698 5.9,701 1,704 1,705 1,715 8,720 4,722 12,736 1,737 1,741 51,743 13,744 2,745 29,747 54,748 21,749 12,750 4,751 8,756 4,757 7,763 1,764 1,766 1,767 1,770 1,772 13,773 8,777 1,782 1,786 1,790 1,793 25,794 5,795 1,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 3,868 26,876 3,877 1,878 1,880 1,881 2,882 1,893 3.9,896 1,898 1,901 13.417,902 9.983,903 5.653,904 3.035,907 2.178,908 1.284,909 0.967,910 4.412,911 9.855,912 3.611,913 4.174,914 4.7,915 5.252,916 5.776,917 5.996,918 6.42,919 6.776,920 7.017,921 7.237,922 0.857,923 45,924 9.627,926 4.115,927 0.026,929 7.593,931 18.82,933 16.001,936 2.093,937 54.417,939 1,940 1,941 282.506,942 129.308,943 24.259,945 36.145,948 129.308,949 318.651,950 24.259,951 25.618,952 24.757,953 75.81,954 25.145,955 31.62,956 18.534,957 270.735,959 282.506,960 153.567,961 36.145,964 258.964,965 59.687,968 36.706,969 116.861,972 282.506,973 60.404,974 129.308,977 282.506,978 27.88,979 107.677,980 18.011,981 36.145,982 282.506,983 60.404,984 129.308,986 0.589,987 0.354,988 0.196,989 0.112,990 23,991 10,992 0.074,993 4,994 2,995 1.222,996 3.659,997 235.743,998 0.222,999 18,1000 118.211,1005 17.379,1006 6.6,1007 2.908,1009 60.404,1010 16.594,1015 4.397,1017 18.011,1018 472.218,1019 36,1024 11.595,1028 -0.436,1031 50.68,1032 57.481,1034 0.256,1035 0.599,1036 0.803,1037 0.893,1038 0.902,1039 0.902,1040 4.898,1041 1.372,1042 5.905,1043 4.488,1044 4.466,1045 4.86,1046 2.511,1047 6.849,1048 4.391,1049 6.108,1050 1.133,1051 7.549,1052 3.132,1053 4.29,1054 4.691,1055 1.905,1056 8.233,1057 4.19,1058 7.441,1059 1,1060 9.315,1061 3.023,1062 6.213,1063 6.963,1064 3.546,1065 11.414,1066 6.076,1067 8.811,1068 0.757,1069 11.161,1070 2.136,1071 6.899,1072 7.57,1073 3.617,1074 13.712,1075 6.748,1076 10.219,1077 0.397,1078 13.064,1079 1.983,1080 8.363,1081 9.376,1082 4.916,1083 16.544,1084 8.188,1085 11.657,1086 -0.011,1087 15.01,1088 0.621,1089 9.428,1090 10.355,1091 5.294,1092 19.149,1093 9.241,1094 13.119,1095 -0.147,1096 16.987,1097 -0.026,1098 10.764,1099 11.969,1100 6.389,1101 21.904,1102 10.557,1103 3.744,1104 -0.562,1105 18.988,1106 -0.344,1107 11.985,1108 13.148,1109 6.931,1110 24.599,1111 11.763,1112 2.696,1113 15.366,1114 21.009,1115 -1.423,1116 13.295,1117 14.668,1118 7.902,1119 27.336,1120 13.054,1121 2.635,1122 9.221,1123 23.043,1124 4.211,1125 14.575,1126 15.96,1127 8.539,1128 30.058,1129 14.317,1130 2.381,1131 8.691,1132 25.089,1133 3.453,1134 15.885,1135 17.435,1136 9.436,1137 32.791,1138 15.607,1139 2.317,1140 7.158,1141 27.143,1142 3.315,1143 17.189,1144 18.79,1145 10.13,1146 35.52,1147 16.89,1148 1.988,1149 6.862,1150 29.203,1151 2.88,1152 18.502,1153 20.243,1154 10.981,1155 38.252,1156 18.183,1157 1.561,1158 5.298,1159 31.268,1160 2.609,1161 19.815,1162 21.633,1163 11.71,1164 40.983,1165 19.475,1166 6945,1167 10742,1168 19.186,1169 33.302,1170 44.433,1171 45.384,1172 46.582,1173 43.948,1174 43.966,1175 53.673,1176 9.039,1177 135.958,1178 42.335,1179 5.81,1180 5.983,1181 7.815,1182 5.785,1183 5.744,1184 7.211,1185 3.889,1186 23.914,1187 5.661,1188 12.824,1189 1.532,1190 1.565,1191 1.606,1192 1.515,1193 1.516,1194 1.851,1195 0.312,1196 4.688,1197 1.46,1198 4.103,1199 4.141,1200 4.051,1201 4.008,1202 7.435,1203 4.014,1204 3.881,1205 3.913,1206 3.808,1207 3.826,1208 4.844,1209 3.818,1210 3.71,1211 3.751,1212 3.629,1213 3.564,1214 4.736,1215 3.568,1216 3.517,1217 3.583,1218 3.422,1219 3.211,1220 4.438,1221 3.255,1222 3.266,1223 3.346,1224 3.133,1225 3.092,1226 4.224,1227 3.091,1228 3.243,1229 3.334,1230 3.041,1231 3.036,1232 4.025,1233 3.024,1234 2.989,1235 3.094,1236 2.809,1237 2.788,1238 3.885,1239 2.774,1240 2.973,1241 3.023,1242 2.705,1243 2.742,1244 3.796,1245 2.728,1246 0.167,1247 0.137,1248 0.276,1249 0.163,1250 0.129,1251 4.839,1252 0.145,1253 3.983,1254 0.075,1255 8.013,1256 0.53,1257 4.72,1258 0.126,1259 3.744,1260 4.211,1261 2.186,1262 15.366,1263 3.661,1264 1.928,1265 1.902,1266 2.046,1267 2.023,1268 1.31,1269 2.03,1270 1.885,1271 1.862,1272 1.998,1273 1.968,1274 1.192,1275 1.978,1276 1.615,1277 1.565,1278 1.81,1279 1.803,1280 1.02,1281 1.804,1282 1.532,1283 1.45,1284 1.781,1285 1.771,1286 0.995,1287 1.78,1288 1.399,1289 1.326,1290 1.688,1291 1.71,1292 0.683,1293 1.708,1294 1.209,1295 1.137,1296 1.483,1297 1.429,1298 0.652,1299 1.451,1300 1.015,1301 0.9,1302 1.453,1303 1.291,1304 0.563,1305 1.354,1306 0.902,1307 0.861,1308 1.181,1309 1.207,1310 0.361,1311 1.176,1312 4.078,1314 5.442,1315 3.045,1316 7.011,1317 5.638,1318 8.681,1319 7.928,1320 10.414,1322 6.094,1328 3.024,1329 2.506,1330 5.38,1332 0.313,1333 4.92,1334 0.029,1340 31.289,1341 74.204,1342 173.294,1343 232.274,1344 258.274,1345 261.029,1346 261.029,1347 37.056,1348 7.677,1349 44.81,1350 44.81,1351 22,1352 12.96,1353 3.807,1354 3,1355 37.783,1356 87,1357 100,1358 0.225,1359 190.52,1360 332.72,1361 456.628,1362 20365,1364 18.311,1365 0.704,1366 0.597,1367 18.311,1368 15.528,1369 12.525,1370 0.432,1371 0.313,1372 8.949,1373 12.062,1374 8.621,1375 7.18,1376 12.525,1377 9.077,1378 11.65,1379 0.271,1380 0.173,1381 11.65,1382 7.454,1383 10.146,1384 0.166,1385 0.095,1386 10.146,1387 5.77,1388 8.776,1389 0.1,1390 0.051,1391 8.776,1392 4.53,1393 7.378,1394 0.064,1395 0.028,1396 7.378,1397 3.296,1398 0.339,1399 78.299,1400 0.228,1401 24.531,1402 0.66,1403 144,1404 363.094,1405 157.025,1406 351.093,1407 489.18,1408 330,1409 176,1410 369.599,1411 189.475,1412 376.266,1413 557.04,1414 352,1415 6.794}
{0 CHEMBL1243111,1 1.421,2 12.097,3 5.511,4 30.366,5 122.787,6 7.13,7 0.514,8 4.156,9 4.275,10 3.704,11 3.726,12 5.196,13 3.695,14 4.715,15 4.886,16 4.103,17 4.155,18 5.732,19 4.105,20 4.996,21 5.188,22 4.164,23 4.333,24 5.9,25 4.246,26 5.159,27 5.412,28 4.113,29 4.347,30 6.019,31 4.234,32 5.105,33 5.333,34 4.102,35 4.316,36 6.053,37 4.209,38 5.105,39 5.354,40 4.062,41 4.292,42 5.999,43 4.182,44 4.967,45 5.174,46 3.985,47 4.25,48 5.935,49 4.132,50 4.996,51 5.254,52 3.765,53 4.118,54 5.917,55 3.968,56 0.037,57 0.824,58 12.399,59 5.399,60 9.406,61 7.222,62 0.384,63 1.407,64 23.536,65 9.009,66 34.679,67 12.475,68 0.205,69 1.793,70 31.729,71 12.427,72 30.136,73 17.132,74 0.354,75 2.039,76 39.912,77 14.035,78 44.927,79 20.096,80 0.361,81 1.856,82 37.431,83 14.169,84 52.139,85 19.403,86 0.453,87 1.799,88 38.617,89 14.399,90 54.003,91 19.715,92 0.299,93 1.647,94 31.62,95 12.87,96 41.196,97 17.459,98 0.437,99 1.627,100 34.769,101 12.694,102 57.363,103 17.624,104 10,105 51,106 0.23,107 0.535,108 0.709,109 0.816,110 0.856,111 0.861,112 3.472,113 0.92,114 -5.36,115 -5.24,116 -4.9,121 44.8,122 1,123 1,125 1,126 1,127 2,130 1,144 13,145 2,146 3,161 1,176 15,179 2,180 8,183 2,185 2,187 16,192 10,197 2,200 10,206 12,211 3,214 6,218 1,219 12,224 2,227 12,231 1,232 5,237 1,239 18,243 1,244 4,247 1,249 2,251 19,255 1,256 2,259 1,264 12,269 5,274 1,277 8,281 1650,282 21.117,283 21.117,284 21.117,285 21.117,286 21.117,287 18.799,288 28.508,289 12.451,290 21.473,291 17.32,292 17.32,293 17.32,294 17.32,295 17.32,296 13.908,297 42.493,298 5.974,299 17.91,300 4.437,301 2.557,302 1.481,303 0.824,304 0.578,305 0.543,306 4.181,311 1,312 1,313 833,314 3.606,317 119.006,318 256.356,320 96.468,321 104.402,324 143.795,325 1.919,326 20.014,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 65.5,338 375,339 4.839,340 3.983,341 8.013,342 4.72,343 3.744,344 4.211,345 2.186,346 15.366,347 3.661,348 4.021,349 3.675,350 6.289,351 3.674,352 2.723,353 3.485,354 1.013,355 9.221,356 2.602,357 3.926,358 2.949,359 6.211,360 3.618,361 2.653,362 3.451,363 0.763,364 8.694,365 2.551,366 3.904,367 2.823,368 5.559,369 3.522,370 2.553,371 3.301,372 0.366,373 7.562,374 2.476,375 3.617,376 2.589,377 5.351,378 3.287,379 2.32,380 2.857,381 0.191,382 6.896,383 2.224,384 3.458,385 2.524,386 5.295,387 3.226,388 2.288,389 2.595,391 6.791,392 2.132,393 3.281,394 2.442,395 4.817,396 2.892,397 1.915,398 2.428,400 5.106,401 1.852,402 2.918,403 1.777,404 4.606,405 2.535,406 1.564,407 2.075,409 4.471,410 1.518,411 2.848,412 1.519,413 4.213,414 2.387,415 1.4,416 1.982,418 3.132,419 1.378,420 2.607,421 1.507,422 3.91,423 2.333,424 1.354,425 1.624,427 3.023,428 1.318,429 2.516,430 1.171,431 3.572,432 2.126,433 1.132,434 1.52,436 2.99,437 1.125,438 2.5,439 1,440 3.547,441 2,442 1,443 1.5,445 2.136,446 1,447 2.5,448 1,449 3.247,450 2,451 1,452 1.5,454 2.136,455 1,456 1.822,457 0.936,458 3.247,459 1.72,460 0.753,461 0.795,463 1.98,464 0.726,465 1.319,466 0.753,467 3.13,468 1.015,469 0.087,470 0.102,472 0.24,473 0.08,474 14.867,475 0.48,476 0.801,477 0.026,478 41.25,479 1.331,480 21,481 0.677,482 20.25,483 0.653,484 27.197,485 0.877,486 32.533,487 0.561,488 31.337,489 1.011,490 8.059,491 0.26,492 6.983,493 0.225,494 0.09,495 0.034,496 0.289,501 0.802,502 1.299,503 0.809,504 1.067,505 0.623,506 0.955,507 0.716,508 0.978,509 0.872,510 0.89,511 0.44,512 0.885,513 1.022,514 1.321,515 1.077,516 1.192,517 0.742,518 1.148,519 1.056,520 0.975,521 1.006,522 0.948,523 0.669,524 0.951,525 1.204,526 1.056,527 1.033,528 1.07,529 1.262,530 1.041,531 1.294,532 0.776,533 0.898,534 0.793,535 1.132,536 0.807,537 1.01,538 1.138,539 1.127,540 1.202,541 1.08,542 1.192,543 1.245,544 0.907,545 1.11,546 0.985,547 1.648,548 1.029,549 6.5,550 0.154,551 3.556,552 3.396,553 1.753,554 1.323,555 0.835,556 0.454,557 0.381,558 0.241,559 13360,560 29967,561 2.151,562 46.6,563 3,564 20,565 1,567 1,569 2,572 1.738,573 2.033,574 3.505,575 -0.425,582 82.415,583 1.421,584 3.301,585 4.377,586 5.034,587 5.28,588 5.315,589 3.1,590 4.503,591 4.918,592 3.697,593 1719.27,594 8.606,595 23908,600 339.763,601 1.459,602 4.889,603 0.186,604 0.006,605 0.07,606 0.065,607 0.037,608 0.028,609 0.018,610 0.011,611 0.012,612 0.009,613 0.441,614 0.33,615 0.88,616 0.486,617 160.08,618 0.002,619 -0.158,620 0.073,621 -0.046,622 -0.037,623 0.01,624 0.282,625 0.15,626 0.068,627 0.084,628 0.212,629 0.059,630 -0.074,631 -0.269,632 -0.131,633 -0.207,634 -0.038,635 -0.183,636 -0.076,637 0.052,638 -0.011,639 -0.001,640 0.086,641 0.01,642 -0.016,643 -0.084,644 -0.037,645 -0.088,646 -0.011,647 -0.068,648 -0.044,649 0.156,650 0.121,651 0.193,652 -0.038,653 0.177,654 0.003,655 -0.158,656 -0.167,657 -0.197,658 -0.072,659 -0.205,660 -0.055,661 0.039,662 -0.092,663 -0.016,664 -0.172,665 -0.054,666 2.143,667 5.395,668 0.774,669 34.714,670 0.992,671 1.119,672 4.131,673 17.068,674 0.673,675 3.584,676 3.951,677 4.277,678 4.635,679 4.89,680 5.017,681 5.247,682 5.398,683 5.489,684 5.587,685 6.931,686 0.635,687 413.56,688 3.584,689 5.153,690 6.033,691 6.952,692 7.86,693 8.794,694 9.72,695 10.665,696 11.604,697 12.557,698 5.2,701 1,704 1,705 1,715 13,720 5,722 18,736 1,737 1,741 58,743 19,744 3,745 35,747 62,748 26,749 18,750 5,751 13,756 5,757 8,763 1,764 1,766 1,767 1,770 1,772 19,773 7,777 1,782 1,786 1,793 27,794 5,795 1,796 5,802 3,808 0.6,809 2,825 1,828 2,829 3,831 1,832 1,835 1,855 1,859 3,864 2,868 31,876 3,877 1,878 1,880 1,881 2,882 1,893 3.4,896 1,898 1,901 15.25,902 10.9,903 6.653,904 3.458,907 2.866,908 1.349,909 0.994,910 5.205,911 11.089,912 3.829,913 4.401,914 4.925,915 5.487,916 5.995,917 6.133,918 6.541,919 6.907,920 7.172,921 7.479,922 1,923 52,924 11.485,926 4.958,927 0.026,929 7.567,931 22.423,933 19.139,936 2.067,937 64.083,941 306.049,942 171.049,943 24.259,945 36.145,948 171.049,949 342.193,950 24.259,951 17.222,952 24.757,953 123.191,954 25.145,955 34.377,956 18.534,957 294.278,959 306.049,960 195.309,961 36.145,964 282.506,965 59.687,968 36.706,969 158.602,972 306.049,973 60.404,974 171.049,977 306.049,978 30.637,979 146.661,980 18.011,981 36.145,982 306.049,983 60.404,984 171.049,986 0.587,987 0.345,988 0.199,989 0.111,990 27,991 11,992 0.081,993 5,994 2,995 1.167,996 4.223,997 297.3,998 0.167,999 24,1000 143.58,1005 20.105,1006 8.026,1007 3.708,1009 60.404,1010 25.975,1015 5.053,1017 18.011,1018 537.502,1019 45,1024 12.395,1028 -0.476,1031 57.563,1032 64.896,1034 0.243,1035 0.563,1036 0.747,1037 0.859,1038 0.901,1039 0.907,1040 5.097,1041 1.564,1042 6.052,1043 5.106,1044 4.635,1045 5.088,1046 2.511,1047 6.963,1048 4.568,1049 6.3,1050 1.4,1051 7.67,1052 4.471,1053 4.369,1054 4.808,1055 1.905,1056 8.275,1057 4.268,1058 7.618,1059 1.354,1060 9.411,1061 3.132,1062 6.34,1063 7.187,1064 3.546,1065 11.458,1066 6.211,1067 8.972,1068 1.132,1069 11.236,1070 3.023,1071 6.957,1072 7.687,1073 3.617,1074 13.728,1075 6.806,1076 10.365,1077 1,1078 13.121,1079 2.99,1080 8.445,1081 9.576,1082 4.916,1083 16.556,1084 8.271,1085 11.787,1086 1,1087 15.052,1088 2.136,1089 9.469,1090 10.467,1091 5.294,1092 19.154,1093 9.28,1094 13.234,1095 0.753,1096 17.018,1097 2.136,1098 10.81,1099 12.132,1100 6.389,1101 21.907,1102 10.602,1103 3.744,1104 0.087,1105 19.011,1106 1.98,1107 12.01,1108 13.245,1109 6.931,1110 24.6,1111 11.786,1112 2.723,1113 15.366,1114 21.025,1115 0.24,1116 13.318,1117 14.794,1118 7.902,1119 27.337,1120 13.076,1121 2.653,1122 9.221,1123 23.055,1124 4.211,1125 14.59,1126 16.039,1127 8.539,1128 30.058,1129 14.329,1130 2.553,1131 8.694,1132 25.097,1133 3.485,1134 15.897,1135 17.527,1136 9.436,1137 32.791,1138 15.617,1139 2.32,1140 7.562,1141 27.149,1142 3.451,1143 17.196,1144 18.851,1145 10.13,1146 35.52,1147 16.897,1148 2.288,1149 6.896,1150 29.207,1151 3.301,1152 18.508,1153 20.309,1154 10.981,1155 38.252,1156 18.188,1157 1.915,1158 6.791,1159 31.271,1160 2.857,1161 19.819,1162 21.679,1163 11.71,1164 40.983,1165 19.478,1166 12406,1167 18731,1168 23.75,1169 39.063,1170 53.58,1171 54.088,1172 54.655,1173 52.971,1174 52.97,1175 66.852,1176 9.039,1177 159.487,1178 51.286,1179 5.81,1180 5.983,1181 7.815,1182 5.809,1183 5.744,1184 7.211,1185 3.889,1186 23.914,1187 5.661,1188 12.213,1189 1.531,1190 1.545,1191 1.562,1192 1.513,1193 1.513,1194 1.91,1195 0.258,1196 4.557,1197 1.465,1198 4.106,1199 4.143,1200 4.053,1201 4.011,1202 7.435,1203 4.016,1204 3.899,1205 3.934,1206 3.832,1207 3.827,1208 4.854,1209 3.82,1210 3.881,1211 3.913,1212 3.808,1213 3.82,1214 4.758,1215 3.816,1216 3.698,1217 3.741,1218 3.613,1219 3.562,1220 4.734,1221 3.566,1222 3.391,1223 3.42,1224 3.334,1225 3.126,1226 4.428,1227 3.161,1228 3.256,1229 3.345,1230 3.121,1231 3.057,1232 4.136,1233 3.068,1234 3.224,1235 3.297,1236 3.036,1237 3.011,1238 3.891,1239 3.014,1240 2.981,1241 3.094,1242 2.764,1243 2.783,1244 3.883,1245 2.759,1246 0.138,1247 0.114,1248 0.229,1249 0.135,1250 0.107,1251 4.839,1252 0.12,1253 3.983,1254 0.062,1255 8.013,1256 0.439,1257 4.72,1258 0.105,1259 3.744,1260 4.211,1261 2.186,1262 15.366,1263 3.661,1264 1.928,1265 1.903,1266 2.046,1267 2.026,1268 1.31,1269 2.031,1270 1.893,1271 1.866,1272 2.012,1273 1.994,1274 1.192,1275 2.001,1276 1.877,1277 1.848,1278 1.994,1279 1.955,1280 1.061,1281 1.97,1282 1.615,1283 1.564,1284 1.808,1285 1.803,1286 1.02,1287 1.804,1288 1.531,1289 1.449,1290 1.781,1291 1.75,1292 0.995,1293 1.772,1294 1.242,1295 1.203,1296 1.486,1297 1.543,1298 0.654,1299 1.495,1300 1.155,1301 1.101,1302 1.453,1303 1.398,1304 0.563,1305 1.409,1306 1.014,1307 0.899,1308 1.316,1309 1.291,1310 0.361,1311 1.353,1312 4.263,1314 5.617,1315 3.045,1316 7.171,1317 5.638,1318 8.823,1319 7.928,1320 10.536,1322 4.531,1328 2.977,1329 2.783,1330 5.635,1332 0.288,1333 4.928,1334 -0.006,1340 36.815,1341 82.415,1342 191.446,1343 253.883,1344 291.988,1345 306.253,1346 308.253,1347 44.22,1348 8.222,1349 44.81,1350 44.81,1351 28,1352 13.047,1353 4.322,1354 3.459,1355 43.609,1356 126,1357 145,1358 0.168,1359 222.306,1360 388.04,1361 534.186,1362 43885,1364 21.424,1365 0.691,1366 0.578,1367 21.424,1368 17.915,1369 15.043,1370 0.43,1371 0.307,1372 10.618,1373 14.599,1374 10.296,1375 8.548,1376 15.043,1377 10.737,1378 13.981,1379 0.274,1380 0.17,1381 13.981,1382 8.695,1383 11.91,1384 0.168,1385 0.093,1386 11.91,1387 6.586,1388 10.697,1389 0.105,1390 0.05,1391 10.697,1392 5.144,1393 8.8,1394 0.067,1395 0.028,1396 8.8,1397 3.66,1398 0.263,1399 93.255,1400 0.205,1401 29.026,1402 0.467,1403 172,1404 423.094,1405 185.692,1406 414.519,1407 581.27,1408 390,1409 208,1410 442.444,1411 222.142,1412 451.46,1413 665.98,1414 424,1415 6.61}
{0 CHEMBL1243140,1 1.498,2 9.667,3 3.524,4 12.417,5 93.686,6 7.187,7 0.444,8 3.915,9 4.039,10 3.46,11 3.456,12 4.965,13 3.435,14 4.472,15 4.639,16 3.877,17 3.894,18 5.532,19 3.849,20 4.751,21 4.95,22 3.897,23 4.04,24 5.705,25 3.959,26 4.841,27 5.091,28 3.717,29 3.963,30 5.778,31 3.845,32 4.717,33 4.982,34 3.616,35 3.72,36 5.732,37 3.626,38 4.423,39 4.629,40 3.392,41 3.464,42 5.526,43 3.42,44 4.149,45 4.336,46 3.375,47 3.429,48 5.27,49 3.373,50 4.234,51 4.433,52 3.275,53 3.477,54 5.374,55 3.39,56 0.033,57 0.666,58 9.749,59 4.086,60 7.461,61 5.472,62 0.31,63 1.102,64 18.335,65 7.186,66 31.157,67 9.927,68 0.18,69 1.384,70 25.142,71 9.298,72 27.123,73 12.991,74 0.262,75 1.416,76 29.152,77 9.729,78 38.504,79 14.117,80 0.306,81 1.118,82 27.009,83 8.891,84 48.455,85 12.51,86 0.462,87 0.798,88 20.412,89 6.117,90 51.443,91 7.625,92 0.206,93 0.719,94 14.018,95 5.154,96 25.199,97 6.871,98 0.299,99 0.791,100 15.523,101 5.193,102 41.272,103 7.035,104 10,105 40,106 0.259,107 0.619,108 0.807,109 0.883,110 0.898,111 0.898,112 3.229,113 0.917,114 -4.08,115 -4.03,116 -3.81,121 42.2,122 2,123 1,125 1,127 1,130 1,144 7,145 2,146 3,161 1,176 10,179 1,180 2,183 2,184 1,185 7,187 11,192 2,197 9,200 9,206 7,211 5,214 4,219 10,222 1,224 3,227 2,232 3,235 1,237 1,239 4,244 2,247 1,248 1,249 2,251 10,259 1,260 1,264 10,274 2,277 9,281 752,282 16.134,283 16.134,284 16.134,285 16.134,286 16.134,287 14.49,288 24.491,289 9.29,290 16.413,291 13.322,292 13.322,293 13.322,294 13.322,295 13.322,296 10.847,297 35.316,298 4.394,299 13.776,300 3.993,301 1.914,302 0.826,303 0.389,304 0.3,305 0.3,306 3.924,310 1,311 1,312 1,313 517,314 3.317,317 92.683,318 127.855,320 74.457,321 78.172,324 109.827,325 1.472,326 19.365,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 51.5,338 232,339 4.755,340 3.87,341 7.887,342 4.636,343 3.649,344 4.153,345 2.186,346 14.705,347 3.601,348 4.189,349 3.678,350 6.056,351 3.813,352 2.841,353 3.788,354 0.647,355 8.714,356 2.765,357 3.941,358 2.909,359 5.982,360 3.582,361 2.622,362 3.276,363 0.366,364 8.222,365 2.513,366 3.6,367 2.706,368 5.395,369 3.244,370 2.285,371 2.824,372 0.247,373 6.975,374 2.165,375 3.291,376 2.332,377 5.249,378 2.915,379 1.953,380 2.501,382 5.906,383 1.867,384 2.966,385 2.205,386 4.777,387 2.762,388 1.816,389 2.048,391 5.25,392 1.711,393 2.874,394 1.669,395 4.12,396 2.414,397 1.414,398 2.032,400 3.562,401 1.414,402 2.804,403 1.472,404 4.079,405 2.366,406 1.378,407 1.912,409 2.972,410 1.356,411 2.42,412 1.321,413 3.646,414 2.108,415 1.137,416 1.401,418 2.957,419 1.103,420 2.14,421 1.119,422 3.596,423 2.037,424 1.06,425 1.135,427 2.503,428 1.033,429 1.5,430 0.86,431 3.153,432 1.252,433 0.32,434 0.361,436 0.838,437 0.296,438 1.393,439 0.545,440 2.974,441 1.08,442 0.106,443 0.126,445 0.252,446 0.103,447 0.953,448 0.298,449 2.816,450 0.673,451 -0.273,452 -0.315,454 -0.719,455 -0.256,456 0.781,457 -0.098,458 2.431,459 0.406,460 -0.594,461 -0.703,463 -1.403,464 -0.584,465 0.61,466 -0.406,467 2.331,468 0.271,469 -0.717,470 -0.869,472 -1.883,473 -0.707,474 11.367,475 0.474,476 0.699,477 0.029,478 30.75,479 1.281,480 15,481 0.625,482 15.75,483 0.656,484 19.55,485 0.815,486 25.833,487 0.574,488 21.068,489 0.878,490 5.857,491 0.244,492 5.702,493 0.238,494 0.117,495 0.044,496 0.308,501 0.859,502 1.225,503 0.821,504 1.03,505 0.654,506 0.927,507 0.537,508 1.033,509 0.797,510 0.959,511 0.414,512 0.918,513 1.014,514 1.28,515 1.061,516 1.175,517 0.736,518 1.131,519 1.038,520 1.074,521 1.11,522 1.111,523 0.802,524 1.103,525 1.241,526 0.907,527 0.827,528 0.928,529 1.343,530 0.84,531 2.71,532 0.712,533 1.265,534 0.707,535 2.586,536 0.802,537 1.271,538 1.015,539 0.96,540 0.985,541 1.509,542 0.955,543 1.564,544 0.893,545 1.348,546 0.975,547 2.593,548 1.108,549 6,550 0.114,551 3.556,552 2.424,553 1.218,554 0.615,555 0.501,556 0.228,557 0.231,558 0.217,559 6776,560 15300,561 2.125,562 46.7,563 6,564 9,565 1,567 3,569 2,572 1.666,573 1.986,574 3.235,575 0.957,577 1,579 1,582 67.429,583 1.498,584 3.578,585 4.666,586 5.103,587 5.192,588 5.192,589 2.62,590 4.502,591 4.562,592 3.41,593 941.05,594 7.853,595 11056.7,597 1,599 1,600 247.133,601 1.564,602 4.509,603 0.222,604 0.006,605 0.089,606 0.062,607 0.041,608 0.023,609 0.023,610 0.01,611 0.012,612 0.012,613 0.499,614 0.5,615 1,616 0.566,617 113.973,618 -0.066,619 -0.03,620 0.049,621 0.023,622 -0.073,623 0.052,624 0.337,625 0.088,626 0.117,627 0.062,628 0.239,629 0.057,630 -0.098,631 -0.229,632 -0.121,633 -0.179,634 -0.024,635 -0.159,636 -0.095,637 -0.076,638 -0.129,639 -0.165,640 0.006,641 -0.144,642 0.065,643 -0.031,644 0.22,645 0.022,646 0.088,647 0.129,648 -0.391,649 0.168,650 -0.141,651 0.226,652 -0.37,653 0.091,654 0.033,655 -0.007,656 0.023,657 0.013,658 0.008,659 0.006,660 -0.211,661 0.166,662 -0.357,663 -0.023,664 -0.381,665 -0.186,666 2.138,667 5.181,668 0.75,669 18.083,670 0.998,671 1.126,672 2.851,673 8.129,674 0.662,675 3.332,676 3.714,677 4.025,678 4.317,679 4.5,680 4.543,681 4.71,682 4.771,683 4.787,684 4.875,685 5.912,686 0.627,687 323.43,688 3.332,689 4.905,690 5.784,691 6.696,692 7.595,693 8.513,694 9.424,695 10.346,696 11.264,697 12.19,698 6.7,700 1,703 1,705 1,715 7,720 5,722 12,734 1,737 1,741 45,743 13,744 2,745 27,747 48,748 19,749 12,750 5,751 7,756 4,757 7,763 2,764 1,766 1,767 1,770 1,772 13,773 6,777 1,782 1,786 1,789 1,790 1,793 21,794 5,795 3,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,853 1,859 2,864 2,868 24,876 2,877 3,878 1,880 1,882 1,893 4.4,896 1,898 1,901 12.083,902 8.5,903 5.097,904 2.694,907 2.2,908 1.296,909 0.989,910 3.74,911 9.644,912 3.555,913 4.143,914 4.663,915 5.2,916 5.678,917 5.782,918 6.103,919 6.356,920 6.451,921 6.682,922 1,923 39,924 8.893,926 3.872,927 0.026,929 7.649,931 17.215,933 14.733,936 2.149,937 51.583,940 1,941 211.88,942 112.515,943 54.032,945 36.145,948 112.515,949 248.025,950 54.032,951 17.65,952 22.651,953 84.344,954 43.156,955 28.128,956 18.534,957 200.109,959 211.88,960 166.547,961 36.145,964 188.338,965 59.687,968 58.312,969 90.224,970 18.011,972 211.88,973 90.177,974 112.515,977 211.88,978 28.531,979 83.984,980 54.032,981 36.145,982 211.88,983 90.177,984 112.515,986 0.596,987 0.356,988 0.193,989 0.099,990 22,991 9,992 0.063,993 3,994 2,995 1.222,996 3.64,997 202.695,998 0.222,999 18,1000 108.039,1005 15.486,1006 5.796,1007 2.693,1009 90.177,1010 13.422,1015 4.646,1017 54.032,1018 414.572,1019 34,1024 12.181,1028 -0.471,1031 44.912,1032 50.651,1034 0.273,1035 0.652,1036 0.85,1037 0.929,1038 0.945,1039 0.945,1040 4.836,1041 1.378,1042 5.82,1043 3.562,1044 4.394,1045 4.828,1046 2.351,1047 6.732,1048 4.332,1049 6.056,1050 1.137,1051 7.449,1052 2.972,1053 4.205,1054 4.705,1055 1.784,1056 8.085,1057 4.137,1058 7.391,1059 1.06,1060 9.201,1061 2.957,1062 6.125,1063 6.969,1064 3.501,1065 11.216,1066 6.017,1067 8.764,1068 0.32,1069 11.034,1070 2.503,1071 6.792,1072 7.617,1073 3.59,1074 13.487,1075 6.691,1076 10.174,1077 0.106,1078 12.924,1079 0.838,1080 8.249,1081 9.414,1082 4.906,1083 16.269,1084 8.121,1085 11.609,1086 -0.273,1087 14.857,1088 0.252,1089 9.288,1090 10.419,1091 5.289,1092 18.839,1093 9.164,1094 13.066,1095 -0.594,1096 16.822,1097 -0.719,1098 10.606,1099 12.019,1100 6.387,1101 21.548,1102 10.465,1103 3.649,1104 -0.717,1105 18.812,1106 -1.403,1107 11.795,1108 13.206,1109 6.93,1110 24.202,1111 11.652,1112 2.841,1113 14.705,1114 20.821,1115 -1.883,1116 13.079,1117 14.712,1118 7.902,1119 26.895,1120 12.924,1121 2.622,1122 8.714,1123 22.844,1124 4.153,1125 14.327,1126 15.995,1127 8.539,1128 29.574,1129 14.165,1130 2.285,1131 8.222,1132 24.877,1133 3.788,1134 15.608,1135 17.453,1136 9.436,1137 32.263,1138 15.435,1139 1.953,1140 6.975,1141 26.918,1142 3.276,1143 16.881,1144 18.791,1145 10.13,1146 34.948,1147 16.698,1148 1.816,1149 5.906,1150 28.966,1151 2.824,1152 18.166,1153 20.225,1154 10.981,1155 37.636,1156 17.971,1157 1.414,1158 5.25,1159 31.018,1160 2.501,1161 19.449,1162 21.594,1163 11.71,1164 40.324,1165 19.243,1166 6350,1167 9658,1168 18.087,1169 29.779,1170 41.522,1171 42.38,1172 42.716,1173 41.131,1174 41.163,1175 51.113,1176 6.894,1177 125.712,1178 39.853,1179 5.717,1180 5.87,1181 7.574,1182 5.726,1183 5.649,1184 7.153,1185 3.889,1186 22.9,1187 5.601,1188 10.413,1189 1.538,1190 1.57,1191 1.582,1192 1.523,1193 1.525,1194 1.893,1195 0.255,1196 4.656,1197 1.476,1198 4.076,1199 4.113,1200 4.02,1201 3.983,1202 7.435,1203 3.987,1204 3.926,1205 3.959,1206 3.863,1207 3.855,1208 4.858,1209 3.852,1210 3.678,1211 3.719,1212 3.591,1213 3.543,1214 4.749,1215 3.545,1216 3.375,1217 3.398,1218 3.321,1219 3.076,1220 4.468,1221 3.134,1222 3.169,1223 3.256,1224 2.967,1225 3.016,1226 4.127,1227 2.996,1228 3.132,1229 3.236,1230 2.926,1231 2.93,1232 3.91,1233 2.913,1234 3.057,1235 3.145,1236 2.908,1237 2.833,1238 3.842,1239 2.844,1240 2.815,1241 2.876,1242 2.681,1243 2.643,1244 3.804,1245 2.639,1246 0.176,1247 0.143,1248 0.292,1249 0.172,1250 0.135,1251 4.755,1252 0.154,1253 3.87,1254 0.081,1255 7.887,1256 0.545,1257 4.636,1258 0.133,1259 3.649,1260 4.153,1261 2.186,1262 14.705,1263 3.601,1264 1.918,1265 1.893,1266 2.036,1267 2.021,1268 1.31,1269 2.024,1270 1.895,1271 1.872,1272 2.001,1273 1.975,1274 1.135,1275 1.984,1276 1.605,1277 1.554,1278 1.809,1279 1.773,1280 0.996,1281 1.786,1282 1.435,1283 1.347,1284 1.689,1285 1.708,1286 0.927,1287 1.711,1288 1.214,1289 1.176,1290 1.553,1291 1.531,1292 0.604,1293 1.474,1294 1.189,1295 1.124,1296 1.36,1297 1.418,1298 0.47,1299 1.465,1300 0.978,1301 0.889,1302 1.306,1303 1.263,1304 0.272,1305 1.298,1306 0.811,1307 0.747,1308 1.089,1309 1.042,1310 0.161,1311 1.055,1312 4.007,1314 5.371,1315 3.045,1316 6.929,1317 5.533,1318 8.581,1319 7.735,1320 10.286,1322 4.193,1328 2.059,1329 9.765,1330 5.494,1332 0.253,1334 0.043,1340 28.235,1341 67.429,1342 161.022,1343 209.972,1344 229.624,1345 233.624,1346 233.624,1347 34.095,1348 7.444,1349 62.39,1350 62.39,1351 22,1352 12.697,1353 3.807,1354 3,1355 34.03,1356 86,1357 76,1358 0.195,1359 171.335,1360 298.12,1361 409.817,1362 17269,1364 16.734,1365 0.697,1366 0.577,1367 16.734,1368 13.85,1369 11.559,1370 0.428,1371 0.306,1372 8.153,1373 11.179,1374 7.905,1375 6.558,1376 11.559,1377 8.251,1378 10.975,1379 0.274,1380 0.168,1381 10.975,1382 6.736,1383 9.467,1384 0.172,1385 0.093,1386 9.467,1387 5.128,1388 8.053,1389 0.109,1390 0.049,1391 8.053,1392 3.643,1393 6.335,1394 0.071,1395 0.026,1396 6.335,1397 2.332,1398 0.305,1399 72.021,1400 0.235,1401 23.382,1402 0.532,1403 134,1404 344.47,1405 146.637,1406 334.531,1407 467.25,1408 314,1409 162,1410 356.543,1411 173.81,1412 360.841,1413 532.59,1414 340,1415 6.081}
{0 CHEMBL1243170,1 1.601,2 7.857,3 1.468,4 2.154,5 77.354,6 7.234,7 0.261,8 3.798,9 3.921,10 3.342,11 3.255,12 4.894,13 3.253,14 4.384,15 4.575,16 3.763,17 3.707,18 5.45,19 3.684,20 4.622,21 4.799,22 3.868,23 3.934,24 5.612,25 3.879,26 4.844,27 5.08,28 3.804,29 3.975,30 5.847,31 3.887,32 4.729,33 4.957,34 3.652,35 3.829,36 5.818,37 3.72,38 4.637,39 4.898,40 3.253,41 3.511,42 5.69,43 3.391,44 4.169,45 4.424,46 3.103,47 3.141,48 5.233,49 3.047,50 3.964,51 4.189,52 2.9,53 2.883,54 5.182,55 2.853,56 0.044,57 0.598,58 8.697,59 3.428,60 7.425,61 4.775,62 0.476,63 0.973,64 17.683,65 5.703,66 35.355,67 8.294,68 0.216,69 1.214,70 21.68,71 8.148,72 27.743,73 11.43,74 0.543,75 1.325,76 29.691,77 9.16,78 54.943,79 13.451,80 0.319,81 1.131,82 25.932,83 9.03,84 45.778,85 12.91,86 0.651,87 0.854,88 26.287,89 7.211,90 85.934,91 10.321,92 0.358,93 0.6,94 15.612,95 4.622,96 34.709,97 6.946,98 0.39,99 0.485,100 12.979,101 2.824,102 42.152,103 4.208,104 32,105 35,106 0.288,107 0.643,108 0.828,109 0.876,110 0.876,111 0.876,112 3.105,113 0.912,114 -2.65,115 -2.67,116 -2.59,121 37.5,122 1,123 1,125 1,126 2,127 1,130 1,144 3,145 1,146 2,160 1,161 1,176 5,179 3,180 7,183 2,187 6,192 8,200 5,205 1,206 8,211 2,214 3,218 1,219 9,224 2,227 2,231 1,232 1,237 1,243 2,244 2,247 1,249 2,255 1,259 1,268 1,272 1,281 510,282 13.996,283 13.996,284 13.996,285 13.996,286 13.996,287 13.103,288 22.657,289 7.822,290 14.4,291 11.175,292 11.175,293 11.175,294 11.175,295 11.175,296 9.642,297 28.737,298 3.493,299 11.728,300 3.721,301 1.751,302 0.725,303 0.457,304 0.457,305 0.457,306 3.775,310 1,311 1,312 1,313 349,314 3.464,317 71.159,318 41.595,320 57.686,321 63.098,324 87.21,325 1.224,326 21.9,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 46.5,338 165,339 4.839,340 3.991,341 8.012,342 4.719,343 3.742,344 4.213,345 2.186,346 15.361,347 3.66,348 3.981,349 3.658,350 6.262,351 3.64,352 2.688,353 3.32,354 1.225,355 9.065,356 2.562,357 3.694,358 3.083,359 6.211,360 3.447,361 2.505,362 2.89,363 0.842,364 8.66,365 2.342,366 3.532,367 2.819,368 5.446,369 3.301,370 2.367,371 2.652,372 0.366,373 7.153,374 2.195,375 3.297,376 2.545,377 4.875,378 2.958,379 1.996,380 2.436,381 0.308,382 5.313,383 1.902,384 2.794,385 2.356,386 4.686,387 2.496,388 1.537,389 1.791,391 4.518,392 1.465,393 2.561,394 1.673,395 4.214,396 2.136,397 1.139,398 1.578,400 3.072,401 1.135,402 2.174,403 1.17,404 3.896,405 1.895,406 0.888,407 1,409 2.119,410 0.885,411 1.677,412 1.106,413 3.137,414 1.385,415 0.43,416 0.486,418 0.687,419 0.398,420 1.497,421 0.879,422 2.937,423 1.262,424 0.259,425 0.319,427 0.4,428 0.26,429 1.186,430 0.62,431 2.631,432 0.826,433 -0.142,434 -0.169,436 -0.325,437 -0.135,438 0.669,439 -0.072,440 2.484,441 0.439,442 -0.546,443 -0.652,445 -1.283,446 -0.531,447 0.664,448 -0.234,449 2.386,450 0.261,451 -0.743,452 -0.981,454 -2.036,455 -0.744,456 0.454,457 -0.59,458 2.271,459 0.039,460 -0.96,461 -1,463 -2.687,464 -0.94,466 -0.792,467 2.137,468 -0.049,469 -1,470 -1.3,472 -2.83,473 -0.955,474 9.7,475 0.462,476 0.665,477 0.032,478 24.5,479 1.167,480 10,481 0.476,482 14.5,483 0.69,484 17.937,485 0.854,486 23.9,487 0.598,488 18.088,489 0.861,490 4.848,491 0.231,492 5.159,493 0.246,494 0.223,495 0.052,496 0.34,501 0.75,502 1.639,503 0.784,504 1.296,505 0.526,506 1.076,507 0.648,508 0.766,509 0.767,510 0.691,511 0.457,512 0.722,513 0.825,514 1.379,515 0.971,516 1.272,517 0.57,518 1.171,519 1.027,520 0.903,521 1.057,522 0.942,523 0.851,524 0.985,525 0.81,526 1.246,527 1.016,528 1.36,529 0.952,530 1.256,531 1.555,532 0.771,533 1.14,534 0.824,535 1.762,536 0.91,537 0.734,538 1.068,539 0.809,540 1.06,541 0.726,542 0.978,543 1.89,544 0.84,545 1.326,546 0.784,547 2.098,548 0.913,549 5.5,551 3.556,552 3.146,553 1.531,554 0.754,555 0.511,556 0.297,557 0.193,558 0.065,559 3616,560 10418,561 2.006,562 47.5,563 3,564 11,565 1,566 1,567 1,569 2,572 1.637,573 1.813,574 2.916,575 -0.244,576 1,577 1,579 1,582 64.053,583 1.601,584 3.57,585 4.596,586 4.865,587 4.865,588 4.865,589 2.453,590 4.202,591 4.357,592 3.061,593 642.887,594 7.499,595 6479.5,596 1,597 1,599 1,600 212.877,601 1.761,602 4.278,603 0.239,605 0.102,606 0.083,607 0.045,608 0.028,609 0.03,610 0.02,611 0.016,612 0.009,613 0.572,614 0.67,615 1,616 1.444,617 92.118,618 -0.043,619 -0.347,620 0.066,621 -0.149,622 -0.014,623 -0.04,624 0.212,625 0.423,626 0.161,627 0.324,628 0.133,629 0.251,630 -0.075,631 -0.247,632 -0.083,633 -0.174,634 -0.002,635 -0.139,636 -0.124,637 0.11,638 -0.097,639 0.037,640 -0.035,641 -0.008,642 0.028,643 -0.283,644 -0.077,645 -0.329,646 -0.008,647 -0.24,648 -0.207,649 0.022,650 -0.081,651 0.091,652 -0.28,653 0.031,654 0.272,655 -0.185,656 0.192,657 -0.113,658 0.135,659 -0.004,660 -0.293,661 0.117,662 -0.238,663 0.042,664 -0.274,665 -0.072,666 2.162,667 4.513,668 0.571,669 15.116,670 1.009,671 1.136,672 1.417,673 2.008,674 0.637,675 3.178,676 3.584,677 3.951,678 4.317,679 4.554,680 4.654,681 4.836,682 4.905,683 4.82,684 4.727,685 4.683,686 0.611,687 289.37,688 3.178,689 4.762,690 5.666,691 6.613,692 7.549,693 8.507,694 9.456,695 10.419,696 11.376,697 12.341,698 7.5,701 1,705 2,715 3,720 3,722 6,737 1,741 40,743 8,744 1,745 23,747 42,748 15,749 6,750 3,751 3,756 3,757 6,763 1,764 1,766 1,767 1,770 1,772 8,773 7,777 2,782 2,784 1,786 1,789 1,790 1,793 19,794 6,795 1,796 6,802 3,808 0.333,809 3,825 1,828 2,829 1,831 1,832 1,835 1,844 1,855 1,859 1,864 3,868 21,876 2,877 1,878 1,880 1,881 2,882 1,893 7.5,896 2,898 1,901 11.583,902 8.067,903 4.653,904 2.321,907 1.406,908 1.201,909 0.93,910 3.42,911 8.412,912 3.367,913 3.902,914 4.434,915 5,916 5.51,917 5.78,918 6.159,919 6.409,920 6.449,921 6.438,922 1,923 38,924 7.772,926 3.354,927 0.026,929 7.893,931 14.779,933 12.463,936 2.393,937 50.25,941 211.88,942 87.631,943 24.259,945 61.29,948 87.631,949 273.17,950 24.259,951 25.618,952 25.775,953 28.429,954 73.056,955 25.31,956 18.534,957 188.338,959 211.88,960 111.89,961 61.29,964 188.338,965 84.832,968 37.725,969 74.165,972 211.88,973 85.549,974 87.631,977 211.88,978 22.588,979 71.291,980 18.011,981 61.29,982 211.88,983 85.549,984 87.631,986 0.593,987 0.374,988 0.211,989 0.118,990 19,991 9,992 0.048,993 2,994 2,995 1.333,996 3.124,997 173.115,998 0.333,999 12,1000 92.239,1005 14.357,1006 5.002,1007 2.032,1009 85.549,1010 5.439,1015 2.453,1017 18.011,1018 385.059,1019 28,1024 22.867,1026 0.885,1028 -0.495,1031 40.356,1032 45.445,1034 0.301,1035 0.671,1036 0.864,1037 0.914,1038 0.914,1039 0.914,1040 4.677,1041 0.888,1042 5.733,1043 3.072,1044 4.263,1045 4.585,1046 2.617,1047 6.72,1048 4.176,1049 5.898,1050 0.43,1051 7.412,1052 2.119,1053 4.205,1054 4.559,1055 1.905,1056 8.189,1057 4.094,1058 7.247,1059 0.259,1060 9.208,1061 0.687,1062 6.066,1063 6.69,1064 3.618,1065 11.366,1066 5.914,1067 8.636,1068 -0.142,1069 11.08,1070 0.4,1071 6.836,1072 7.442,1073 3.629,1074 13.695,1075 6.678,1076 10.064,1077 -0.546,1078 13.004,1079 -0.325,1080 8.275,1081 9.14,1082 4.946,1083 16.528,1084 8.089,1085 11.521,1086 -0.743,1087 14.965,1088 -1.283,1089 9.386,1090 10.24,1091 5.301,1092 19.141,1093 9.195,1094 13.001,1095 -0.96,1096 16.953,1097 -2.036,1098 10.716,1099 11.786,1100 6.4,1101 21.897,1102 10.505,1103 3.742,1104 -1,1105 18.964,1106 -2.687,1107 11.957,1108 13.053,1109 6.934,1110 24.594,1111 11.735,1112 2.688,1113 15.361,1114 20.991,1115 -2.83,1116 13.268,1117 14.537,1118 7.906,1119 27.331,1120 13.028,1121 2.505,1122 9.065,1123 23.03,1124 4.213,1125 14.557,1126 15.887,1127 8.541,1128 30.053,1129 14.301,1130 2.367,1131 8.66,1132 25.079,1133 3.32,1134 15.869,1135 17.346,1136 9.437,1137 32.786,1138 15.593,1139 1.996,1140 7.153,1141 27.135,1142 2.89,1143 17.176,1144 18.738,1145 10.131,1146 35.515,1147 16.881,1148 1.537,1149 5.313,1150 29.197,1151 2.652,1152 18.49,1153 20.184,1154 10.982,1155 38.247,1156 18.176,1157 1.139,1158 4.518,1159 31.264,1160 2.436,1161 19.805,1162 21.598,1163 11.71,1164 40.978,1165 19.469,1166 3698,1167 6341,1168 14.622,1169 25.472,1170 35.745,1171 37.855,1172 38.696,1173 35.176,1174 35.104,1175 41.372,1176 9.855,1177 112.699,1178 33.608,1179 5.804,1180 5.991,1181 7.563,1182 5.783,1183 5.742,1184 7.213,1185 3.889,1186 23.897,1187 5.66,1188 12.318,1189 1.554,1190 1.646,1191 1.682,1192 1.529,1193 1.526,1194 1.799,1195 0.428,1196 4.9,1197 1.461,1198 4.09,1199 4.126,1200 4.041,1201 3.993,1202 7.453,1203 4,1204 3.71,1205 3.751,1206 3.632,1207 3.564,1208 7.434,1209 3.569,1210 3.518,1211 3.584,1212 3.425,1213 3.21,1214 4.823,1215 3.256,1216 3.33,1217 3.372,1218 3.246,1219 3.055,1220 4.433,1221 3.092,1222 3.243,1223 3.338,1224 3.042,1225 3.035,1226 4.223,1227 3.024,1228 2.984,1229 3.092,1230 2.806,1231 2.761,1232 4.01,1233 2.73,1234 2.973,1235 3.012,1236 2.697,1237 2.695,1238 3.874,1239 2.714,1240 2.775,1241 2.849,1242 2.608,1243 2.611,1244 3.526,1245 2.599,1246 0.21,1247 0.174,1248 0.348,1249 0.205,1250 0.163,1251 4.839,1252 0.183,1253 3.991,1254 0.095,1255 8.012,1256 0.668,1257 4.719,1258 0.159,1259 3.742,1260 4.213,1261 2.186,1262 15.361,1263 3.66,1264 1.902,1265 1.884,1266 2.003,1267 1.994,1268 1.31,1269 1.993,1270 1.625,1271 1.576,1272 1.813,1273 1.831,1274 1.034,1275 1.821,1276 1.533,1277 1.454,1278 1.782,1279 1.772,1280 1.008,1281 1.78,1282 1.399,1283 1.327,1284 1.688,1285 1.715,1286 0.681,1287 1.71,1288 1.16,1289 1.109,1290 1.453,1291 1.462,1292 0.563,1293 1.44,1294 1.014,1295 0.899,1296 1.381,1297 1.291,1298 0.447,1299 1.354,1300 0.864,1301 0.829,1302 1.127,1303 1.205,1304 0.194,1305 1.166,1306 0.797,1307 0.727,1308 1.075,1309 1.035,1310 0.147,1311 1.071,1312 3.85,1314 5.231,1315 3.045,1316 6.821,1317 5.638,1318 8.515,1319 7.928,1320 10.273,1322 5.709,1328 1.903,1329 2.428,1330 5.208,1332 0.028,1333 3.958,1334 -0.132,1340 24.423,1341 64.053,1342 142.819,1343 183.858,1344 194.612,1345 194.612,1346 194.612,1347 36.121,1348 7.006,1349 61.88,1350 61.88,1351 16,1352 12.822,1353 3.17,1354 2.585,1355 32.022,1356 58,1357 70,1358 0.289,1359 150.21,1360 266.25,1361 358.272,1362 8275,1364 15.198,1365 0.724,1366 0.591,1367 15.198,1368 12.42,1369 10.007,1370 0.435,1371 0.304,1372 6.848,1373 9.458,1374 6.591,1375 5.487,1376 10.007,1377 6.99,1378 9.318,1379 0.266,1380 0.167,1381 9.318,1382 5.853,1383 8.288,1384 0.163,1385 0.091,1386 8.288,1387 4.624,1388 7.203,1389 0.097,1390 0.049,1391 7.203,1392 3.605,1393 5.999,1394 0.064,1395 0.027,1396 5.999,1397 2.522,1398 0.429,1399 63.9,1400 0.262,1401 20.117,1402 0.869,1403 116,1404 354.83,1405 130.575,1406 332.696,1407 449.16,1408 310,1409 144,1410 327.679,1411 158.471,1412 330.419,1413 489.32,1414 307,1415 5.602}
{0 CHEMBL1243203,1 1.551,2 10.346,3 3.044,4 9.267,5 97.132,6 7.477,7 0.414,8 3.961,9 4.075,10 3.539,11 3.486,12 5.071,13 3.478,14 4.521,15 4.688,16 3.95,17 3.925,18 5.611,19 3.895,20 4.793,21 4.973,22 4.027,23 4.118,24 5.776,25 4.056,26 4.969,27 5.209,28 3.983,29 4.118,30 5.981,31 4.033,32 4.876,33 5.095,34 3.86,35 3.957,36 6.028,37 3.879,38 4.745,39 4.984,40 3.548,41 3.691,42 5.865,43 3.615,44 4.312,45 4.516,46 3.459,47 3.501,48 5.45,49 3.436,50 4.277,51 4.48,52 3.365,53 3.448,54 5.444,55 3.394,56 0.03,57 0.693,58 9.492,59 4.217,60 7.959,61 5.458,62 0.427,63 1.155,64 18.796,65 7.028,66 34.312,67 9.534,68 0.207,69 1.459,70 24.884,71 9.736,72 29.89,73 13.115,74 0.427,75 1.607,76 32.94,77 11.045,78 48.885,79 15.588,80 0.388,81 1.352,82 30.191,83 10.609,84 62.302,85 14.102,86 0.69,87 1.066,88 29.215,89 8.755,90 96.326,91 11.207,92 0.355,93 0.807,94 16.793,95 6.039,96 37.592,97 8.063,98 0.377,99 0.792,100 16.462,101 5.176,102 43.969,103 6.765,104 18,105 43,106 0.265,107 0.605,108 0.777,109 0.85,110 0.87,111 0.87,112 3.305,113 0.895,114 -3.87,115 -3.82,116 -3.63,121 42.6,122 1,123 1,125 1,126 1,127 1,130 1,144 8,145 1,146 3,160 1,161 1,176 9,179 3,180 7,183 2,185 2,187 10,192 8,197 2,200 7,205 1,206 12,211 3,214 3,218 1,219 13,224 2,227 2,231 1,232 3,237 1,239 4,243 2,244 2,247 1,249 2,251 8,255 1,259 1,264 8,268 1,269 2,272 1,277 8,281 900,282 17.557,283 17.557,284 17.557,285 17.557,286 17.557,287 15.913,288 25.819,289 10.125,290 17.936,291 14.247,292 14.247,293 14.247,294 14.247,295 14.247,296 11.719,297 36.237,298 4.708,299 14.819,300 4.004,301 2.012,302 1,303 0.575,304 0.458,305 0.458,306 3.998,310 1,311 1,312 1,313 590,314 3.536,317 98.836,318 139.609,320 79.927,321 85.297,324 118.78,325 1.55,326 24.755,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 56.5,338 269,339 4.839,340 3.991,341 8.012,342 4.719,343 3.742,344 4.213,345 2.186,346 15.361,347 3.66,348 4.021,349 3.675,350 6.262,351 3.669,352 2.721,353 3.483,354 1.225,355 9.065,356 2.579,357 3.907,358 3.084,359 6.211,360 3.549,361 2.581,362 3.306,363 0.842,364 8.664,365 2.494,366 3.656,367 2.824,368 5.559,369 3.421,370 2.477,371 2.871,372 0.366,373 7.562,374 2.326,375 3.502,376 2.586,377 5.312,378 3.226,379 2.288,380 2.636,381 0.308,382 6.822,383 2.133,384 3.281,385 2.5,386 4.842,387 2.899,388 1.922,389 2.436,391 5.123,392 1.858,393 2.855,394 2.352,395 4.608,396 2.504,397 1.543,398 1.986,400 4.498,401 1.474,402 2.786,403 1.673,404 4.213,405 2.369,406 1.377,407 1.786,409 3.072,410 1.36,411 2.561,412 1.519,413 3.897,414 2.136,415 1.139,416 1.578,418 2.99,419 1.135,420 2.5,421 1.17,422 3.571,423 2,424 1,425 1.5,427 2.136,428 1,429 2.174,430 1,431 3.247,432 1.895,433 0.887,434 1,436 2.117,437 0.884,438 1.669,439 0.906,440 3.137,441 1.348,442 0.313,443 0.408,445 0.549,446 0.318,447 1.219,448 0.699,449 2.947,450 0.947,451 0.023,452 0.026,454 0.059,455 0.021,456 1.159,457 0.34,458 2.636,459 0.745,460 -0.246,461 -0.305,463 -0.598,464 -0.24,465 0.672,466 -0.086,467 2.508,468 0.439,469 -0.548,470 -0.669,472 -1.289,473 -0.535,474 12.2,475 0.469,476 0.733,477 0.028,478 34,479 1.308,480 16.5,481 0.635,482 17.5,483 0.673,484 21.154,485 0.814,486 28,487 0.596,488 25.463,489 0.979,490 6.684,491 0.257,492 5.841,493 0.225,494 0.137,495 0.041,496 0.311,501 0.736,502 1.414,503 0.755,504 1.133,505 0.529,506 0.972,507 0.615,508 0.916,509 0.805,510 0.826,511 0.464,512 0.833,513 0.875,514 1.327,515 1.021,516 1.21,517 0.606,518 1.15,519 0.93,520 0.961,521 0.977,522 0.984,523 0.725,524 0.971,525 1.232,526 1.122,527 1.052,528 1.2,529 1.319,530 1.118,531 1.993,532 0.668,533 1.154,534 0.693,535 2.162,536 0.784,537 0.956,538 1.01,539 0.921,540 1.013,541 0.94,542 0.983,543 1.567,544 0.813,545 1.202,546 0.818,547 1.775,548 0.923,549 6,550 0.134,551 3.556,552 3.458,553 1.682,554 0.872,555 0.571,556 0.269,557 0.299,558 0.191,559 7948,560 20579,561 2.092,562 44.7,563 3,564 13,565 1,566 1,567 1,569 2,572 1.69,573 1.938,574 3.299,575 -0.332,576 1,577 1,582 72.879,583 1.551,584 3.542,585 4.554,586 4.98,587 5.097,588 5.097,589 2.724,590 4.104,591 4.67,592 3.481,593 1131.42,594 8.089,595 13840,597 1,599 1,600 261.066,601 1.619,602 4.616,603 0.207,604 0.007,605 0.083,606 0.077,607 0.041,608 0.026,609 0.023,610 0.011,611 0.014,612 0.009,613 0.497,614 0.5,615 1,616 0.777,617 126.341,618 -0.032,619 -0.229,620 0.064,621 -0.085,622 -0.018,623 -0.01,624 0.242,625 0.233,626 0.093,627 0.161,628 0.129,629 0.11,630 -0.083,631 -0.259,632 -0.121,633 -0.202,634 -0.028,635 -0.176,636 -0.037,637 0.043,638 0.004,639 -0.031,640 0.058,641 0.001,642 -0.04,643 -0.203,644 -0.041,645 -0.222,646 -0.034,647 -0.145,648 -0.288,649 0.164,650 -0.034,651 0.247,652 -0.326,653 0.159,654 0.184,655 -0.05,656 0.068,657 -0.025,658 0.059,659 -0.011,660 -0.21,661 0.21,662 -0.186,663 0.114,664 -0.248,665 -0.01,666 2.202,667 5.154,668 0.692,669 22.74,670 1.005,671 1.125,672 2.635,673 6.944,674 0.665,675 3.401,676 3.784,677 4.127,678 4.489,679 4.71,680 4.779,681 4.956,682 5.043,683 5.037,684 5.081,685 6.111,686 0.637,687 351.44,688 3.401,689 4.977,690 5.866,691 6.797,692 7.714,693 8.656,694 9.588,695 10.537,696 11.479,697 12.433,698 6.4,701 1,705 2,715 8,720 4,722 12,737 1,741 47,743 14,744 2,745 29,747 50,748 20,749 12,750 4,751 8,756 4,757 7,763 1,764 1,766 1,767 1,770 1,772 14,773 6,777 2,782 2,784 1,786 1,789 1,790 1,793 21,794 6,795 1,796 6,802 3,808 0.5,809 3,825 1,828 2,829 2,831 1,832 1,835 1,844 1,855 1,859 2,864 2,868 26,876 2,877 1,878 1,880 1,881 2,882 1,893 6.4,896 2,898 1,901 13.417,902 8.983,903 5.653,904 2.744,907 2.178,908 1.285,909 0.968,910 4.213,911 9.813,912 3.638,913 4.19,914 4.718,915 5.293,916 5.787,917 5.947,918 6.314,919 6.593,920 6.708,921 6.913,922 0.857,923 45,924 9.633,926 4.201,927 0.026,929 7.804,931 18.382,933 15.601,936 2.304,937 59.917,940 1,941 235.422,942 129.372,943 24.259,945 61.29,948 129.372,949 296.712,950 24.259,951 17.222,952 25.775,953 75.81,954 73.056,955 28.067,956 18.534,957 211.88,959 235.422,960 153.631,961 61.29,964 211.88,965 84.832,968 37.725,969 115.907,972 235.422,973 85.549,974 129.372,977 235.422,978 25.345,979 110.276,980 18.011,981 61.29,982 235.422,983 85.549,984 129.372,986 0.589,987 0.36,988 0.212,989 0.115,990 23,991 10,992 0.06,993 3,994 2,995 1.222,996 3.729,997 230.127,998 0.222,999 18,1000 118.211,1005 17.07,1006 6.417,1007 2.81,1009 85.549,1010 14.628,1015 3.077,1017 18.011,1018 450.343,1019 37,1024 23.824,1026 0.888,1028 -0.536,1031 47.24,1032 52.86,1034 0.279,1035 0.638,1036 0.82,1037 0.897,1038 0.918,1039 0.918,1040 4.92,1041 1.377,1042 5.905,1043 4.498,1044 4.466,1045 4.875,1046 2.617,1047 6.849,1048 4.391,1049 6.13,1050 1.139,1051 7.549,1052 3.072,1053 4.29,1054 4.691,1055 1.905,1056 8.233,1057 4.18,1058 7.459,1059 1,1060 9.315,1061 2.99,1062 6.213,1063 6.976,1064 3.618,1065 11.412,1066 6.07,1067 8.826,1068 0.887,1069 11.161,1070 2.136,1071 6.899,1072 7.575,1073 3.629,1074 13.71,1075 6.74,1076 10.232,1077 0.313,1078 13.064,1079 2.117,1080 8.363,1081 9.388,1082 4.946,1083 16.54,1084 8.181,1085 11.668,1086 0.023,1087 15.009,1088 0.549,1089 9.428,1090 10.365,1091 5.301,1092 19.146,1093 9.235,1094 13.129,1095 -0.246,1096 16.986,1097 0.059,1098 10.763,1099 11.98,1100 6.4,1101 21.9,1102 10.552,1103 3.742,1104 -0.548,1105 18.987,1106 -0.598,1107 11.983,1108 13.159,1109 6.934,1110 24.595,1111 11.759,1112 2.721,1113 15.361,1114 21.008,1115 -1.289,1116 13.292,1117 14.68,1118 7.906,1119 27.332,1120 13.05,1121 2.581,1122 9.065,1123 23.042,1124 4.213,1125 14.572,1126 15.972,1127 8.541,1128 30.053,1129 14.313,1130 2.477,1131 8.664,1132 25.087,1133 3.483,1134 15.881,1135 17.446,1136 9.437,1137 32.786,1138 15.604,1139 2.288,1140 7.562,1141 27.141,1142 3.306,1143 17.184,1144 18.802,1145 10.131,1146 35.515,1147 16.888,1148 1.922,1149 6.822,1150 29.202,1151 2.871,1152 18.497,1153 20.254,1154 10.982,1155 38.247,1156 18.181,1157 1.543,1158 5.123,1159 31.267,1160 2.636,1161 19.809,1162 21.645,1163 11.71,1164 40.978,1165 19.473,1166 7563,1167 12285,1168 19.186,1169 31.233,1170 44.885,1171 46.633,1172 46.568,1173 44.131,1174 44.027,1175 54.456,1176 9.855,1177 136.031,1178 42.483,1179 5.804,1180 5.991,1181 7.814,1182 5.807,1183 5.742,1184 7.213,1185 3.889,1186 23.897,1187 5.66,1188 12.692,1189 1.548,1190 1.608,1191 1.606,1192 1.522,1193 1.518,1194 1.878,1195 0.34,1196 4.691,1197 1.465,1198 4.093,1199 4.128,1200 4.043,1201 3.995,1202 7.453,1203 4.002,1204 3.899,1205 3.934,1206 3.832,1207 3.821,1208 7.434,1209 3.818,1210 3.699,1211 3.741,1212 3.615,1213 3.563,1214 4.836,1215 3.566,1216 3.406,1217 3.431,1218 3.347,1219 3.111,1220 4.754,1221 3.166,1222 3.301,1223 3.356,1224 3.226,1225 3.045,1226 4.423,1227 3.064,1228 3.231,1229 3.305,1230 3.036,1231 2.994,1232 4.131,1233 3.012,1234 2.979,1235 3.092,1236 2.751,1237 2.761,1238 3.889,1239 2.73,1240 2.854,1241 2.925,1242 2.694,1243 2.735,1244 3.839,1245 2.715,1246 0.167,1247 0.138,1248 0.276,1249 0.163,1250 0.129,1251 4.839,1252 0.145,1253 3.991,1254 0.075,1255 8.012,1256 0.53,1257 4.719,1258 0.126,1259 3.742,1260 4.213,1261 2.186,1262 15.361,1263 3.66,1264 1.907,1265 1.887,1266 2.014,1267 2.01,1268 1.31,1269 2.008,1270 1.88,1271 1.85,1272 1.998,1273 1.968,1274 1.061,1275 1.979,1276 1.625,1277 1.575,1278 1.811,1279 1.83,1280 1.034,1281 1.821,1282 1.532,1283 1.452,1284 1.782,1285 1.753,1286 1.007,1287 1.773,1288 1.226,1289 1.2,1290 1.453,1291 1.554,1292 0.563,1293 1.495,1294 1.117,1295 1.069,1296 1.39,1297 1.423,1298 0.448,1299 1.396,1300 1.014,1301 0.899,1302 1.308,1303 1.291,1304 0.28,1305 1.353,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 4.078,1314 5.442,1315 3.045,1316 7.011,1317 5.638,1318 8.681,1319 7.928,1320 10.412,1322 4.195,1328 1.871,1329 2.705,1330 5.462,1332 0.003,1333 3.965,1334 -0.166,1340 29.95,1341 72.879,1342 166.483,1343 214.046,1344 234.046,1345 239.556,1346 239.556,1347 43.571,1348 7.634,1349 61.88,1350 61.88,1351 22,1352 12.922,1353 3.907,1354 3.17,1355 38.158,1356 97,1357 100,1358 0.2,1359 181.996,1360 321.57,1361 435.831,1362 20795,1364 18.311,1365 0.704,1366 0.569,1367 18.311,1368 14.807,1369 12.525,1370 0.432,1371 0.298,1372 8.517,1373 11.996,1374 8.266,1375 6.855,1376 12.525,1377 8.651,1378 11.65,1379 0.271,1380 0.165,1381 11.65,1382 7.094,1383 10.051,1384 0.165,1385 0.089,1386 10.051,1387 5.44,1388 9.125,1389 0.104,1390 0.048,1391 9.125,1392 4.219,1393 7.421,1394 0.067,1395 0.026,1396 7.421,1397 2.886,1398 0.311,1399 78.856,1400 0.228,1401 24.933,1402 0.553,1403 144,1404 414.83,1405 159.242,1406 396.122,1407 541.25,1408 370,1409 176,1410 400.524,1411 191.137,1412 405.612,1413 598.26,1414 379,1415 6.481}
{0 CHEMBL1243234,1 1.406,2 10.531,3 5.517,4 30.442,5 127.622,6 7.01,7 0.5,8 4.201,9 4.322,10 3.732,11 3.767,12 5.225,13 3.732,14 4.766,15 4.943,16 4.123,17 4.197,18 5.759,19 4.141,20 5.043,21 5.239,22 4.198,23 4.383,24 5.924,25 4.29,26 5.217,27 5.465,28 4.159,29 4.424,30 6.034,31 4.308,32 5.185,33 5.412,34 4.222,35 4.474,36 6.028,37 4.357,38 5.285,39 5.53,40 4.256,41 4.538,42 6.1,43 4.414,44 5.254,45 5.48,46 4.222,47 4.537,48 6.139,49 4.402,50 5.264,51 5.524,52 4.036,53 4.418,54 6.148,55 4.261,56 0.044,57 0.865,58 13.325,59 5.75,60 10.019,61 7.775,62 0.41,63 1.476,64 25.289,65 9.559,66 36.342,67 13.378,68 0.205,69 1.869,70 33.677,71 13.357,72 31.662,73 18.553,74 0.436,75 2.158,76 42.431,77 14.822,78 49.285,79 21.215,80 0.305,81 2.099,82 39.716,83 15.685,84 38.741,85 22.134,86 0.421,87 2.243,88 45.003,89 17.571,90 47.458,91 24.668,92 0.335,93 2.21,94 42.55,95 17.542,96 44.787,97 24.414,98 0.472,99 2.134,100 44.926,101 17.11,102 63.92,103 24.032,104 13,105 52,106 0.226,107 0.527,108 0.702,109 0.797,110 0.822,111 0.843,112 3.503,113 0.934,114 -5.29,115 -5.18,116 -4.84,121 44.3,122 1,123 1,125 1,126 1,127 3,130 1,144 13,145 3,146 2,161 1,176 17,179 2,180 9,183 2,187 18,192 12,200 11,206 11,211 2,214 8,218 1,219 11,224 2,227 18,231 1,232 5,237 1,239 25,243 1,244 5,247 1,249 2,251 26,255 1,256 3,259 1,264 20,269 5,274 1,277 14,281 1848,282 21.988,283 21.988,284 21.988,285 21.988,286 21.988,287 19.67,288 29.056,289 12.992,290 22.359,291 17.757,292 17.757,293 17.757,294 17.757,295 17.757,296 14.307,297 40.996,298 6.171,299 18.333,300 4.525,301 2.649,302 1.559,303 0.968,304 0.812,305 0.68,306 4.212,311 1,312 1,313 737,314 3.742,317 114.372,318 247.545,320 93.344,321 105.886,324 143.875,325 1.781,326 19.596,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 67.5,338 337,339 4.842,340 3.989,341 8.016,342 4.724,343 3.748,344 4.212,345 2.186,346 15.396,347 3.663,348 4.01,349 3.658,350 6.312,351 3.685,352 2.728,353 3.467,354 1.042,355 9.241,356 2.617,357 3.924,358 2.988,359 6.247,360 3.622,361 2.652,362 3.451,363 0.843,364 9.026,365 2.577,366 3.896,367 2.942,368 5.519,369 3.528,370 2.563,371 3.306,372 0.366,373 7.441,374 2.479,375 3.664,376 2.68,377 5.388,378 3.326,379 2.36,380 2.881,381 0.265,382 6.951,383 2.249,384 3.475,385 2.492,386 5.31,387 3.228,388 2.267,389 2.611,390 0.114,391 6.759,392 2.158,393 3.313,394 2.411,395 4.903,396 2.954,397 1.989,398 2.465,400 5.369,401 1.903,402 2.952,403 1.804,404 4.707,405 2.574,406 1.602,407 2.116,409 4.72,410 1.556,411 2.871,412 1.544,413 4.221,414 2.441,415 1.444,416 2.021,418 3.152,419 1.439,420 2.595,421 1.46,422 3.917,423 2.304,424 1.329,425 1.613,427 3.027,428 1.291,429 2.517,430 1.168,431 3.597,432 2.126,433 1.131,434 1.522,436 3.002,437 1.124,438 2.5,439 1.106,440 3.548,441 2,442 1,443 1.5,445 2.136,446 1,447 2.5,448 1,449 3.247,450 2,451 1,452 1.5,454 2.136,455 1,456 1.831,457 1,458 3.247,459 1.729,460 0.762,461 0.805,463 1.992,464 0.735,465 1.513,466 0.922,467 3.168,468 1.311,469 0.398,470 0.424,472 0.624,473 0.359,474 15.367,475 0.48,476 0.763,477 0.024,478 41.25,479 1.289,480 20.5,481 0.641,482 20.75,483 0.648,484 29.791,485 0.931,486 33.833,487 0.555,488 32.24,489 1.008,490 8.142,491 0.254,492 7.439,493 0.232,494 0.087,495 0.033,496 0.28,501 0.803,502 1.305,503 0.828,504 1.082,505 0.62,506 0.973,507 0.757,508 0.941,509 0.902,510 0.878,511 0.471,512 0.888,513 0.968,514 1.319,515 1.048,516 1.194,517 0.696,518 1.141,519 1.239,520 0.957,521 1.072,522 0.903,523 0.904,524 0.947,525 0.769,526 1.101,527 0.988,528 1.08,529 0.725,530 1.059,531 0.902,532 0.875,533 0.917,534 0.891,535 0.686,536 0.905,537 0.738,538 1.101,539 1.055,540 1.164,541 0.756,542 1.152,543 1.013,544 0.923,545 1.056,546 1.01,547 1.326,548 1.037,549 6.5,550 0.128,551 3.556,552 3.146,553 1.833,554 1.508,555 1.059,556 0.661,557 0.394,558 0.164,559 13087,560 30290,561 2.147,562 47.5,563 3,564 22,565 1,567 1,569 2,572 1.754,573 2.032,574 3.343,575 -0.434,582 85.757,583 1.406,584 3.282,585 4.371,586 4.963,587 5.119,588 5.25,589 2.864,590 4.625,591 4.961,592 3.532,593 1751.84,594 8.738,595 24570.1,600 361.775,601 1.438,602 4.937,603 0.181,604 0.005,605 0.068,606 0.058,607 0.036,608 0.027,609 0.018,610 0.012,611 0.009,612 0.005,613 0.421,614 0.33,615 0.88,616 0.945,617 164.54,618 0.007,619 -0.153,620 0.073,621 -0.044,622 -0.026,623 0.01,624 0.262,625 0.196,626 0.053,627 0.102,628 0.189,629 0.065,630 -0.047,631 -0.272,632 -0.098,633 -0.193,634 -0.005,635 -0.161,636 -0.162,637 0.079,638 -0.074,639 0.046,640 -0.053,641 0.007,642 0.027,643 -0.087,644 -0.033,645 -0.083,646 0.002,647 -0.068,648 -0.01,649 0.097,650 0.057,651 0.106,652 -0.025,653 0.092,654 0.038,655 -0.117,656 -0.106,657 -0.15,658 -0.02,659 -0.148,660 -0.016,661 0.023,662 -0.064,663 -0.028,664 -0.096,665 -0.048,666 2.108,667 4.798,668 0.75,669 36.172,670 0.991,671 1.12,672 4.065,673 16.521,674 0.669,675 3.611,676 3.97,677 4.304,678 4.663,679 4.963,680 5.147,681 5.425,682 5.628,683 5.765,684 5.886,685 6.427,686 0.629,687 427.59,688 3.611,689 5.176,690 6.057,691 6.974,692 7.888,693 8.826,694 9.759,695 10.71,696 11.657,697 12.617,698 4.9,701 1,704 1,705 1,715 13,720 5,722 18,736 1,737 1,741 61,743 19,744 3,745 36,747 65,748 27,749 18,750 5,751 13,756 5,757 8,763 1,764 1,766 1,767 1,770 1,772 19,773 8,777 1,782 1,786 1,793 29,794 5,795 1,796 5,802 3,808 0.6,809 2,825 1,828 2,829 3,831 1,832 1,835 1,855 1,859 3,864 2,868 32,876 4,877 1,878 1,880 1,881 2,882 1,893 3.3,896 1,898 1,901 15.75,902 11.4,903 6.986,904 3.671,907 2.806,908 1.336,909 0.989,910 5.663,911 11.153,912 3.85,913 4.413,914 4.94,915 5.487,916 6.014,917 6.18,918 6.618,919 7.018,920 7.336,921 7.658,922 1,923 54,924 11.851,926 5.079,927 0.026,929 7.549,931 23.24,933 19.806,936 2.049,937 65.583,941 329.591,942 173.584,943 24.259,945 36.145,948 173.584,949 365.736,950 24.259,951 17.222,952 26.862,953 123.191,954 25.145,955 34.805,956 18.534,957 317.82,959 329.591,960 197.843,961 36.145,964 306.049,965 59.687,968 38.812,969 159.031,972 329.591,973 60.404,974 173.584,977 329.591,978 33.171,979 146.661,980 18.011,981 36.145,982 329.591,983 60.404,984 173.584,986 0.581,987 0.343,988 0.191,989 0.111,990 27,991 11,992 0.092,993 6,994 2,995 1.167,996 4.209,997 316.985,998 0.167,999 24,1000 152,1005 21.05,1006 8.608,1007 3.927,1009 60.404,1010 27.408,1015 5.695,1017 18.011,1018 563.579,1019 46,1024 11.798,1028 -0.442,1031 60.447,1032 68.311,1034 0.237,1035 0.553,1036 0.737,1037 0.837,1038 0.863,1039 0.885,1040 5.115,1041 1.602,1042 6.071,1043 5.369,1044 4.654,1045 5.1,1046 2.554,1047 6.982,1048 4.591,1049 6.313,1050 1.444,1051 7.688,1052 4.72,1053 4.369,1054 4.808,1055 1.905,1056 8.293,1057 4.277,1058 7.629,1059 1.329,1060 9.428,1061 3.152,1062 6.358,1063 7.195,1064 3.56,1065 11.477,1066 6.234,1067 8.982,1068 1.131,1069 11.252,1070 3.027,1071 6.967,1072 7.692,1073 3.622,1074 13.745,1075 6.822,1076 10.374,1077 1,1078 13.136,1079 3.002,1080 8.459,1081 9.58,1082 4.92,1083 16.575,1084 8.291,1085 11.796,1086 1,1087 15.066,1088 2.136,1089 9.48,1090 10.469,1091 5.296,1092 19.171,1093 9.295,1094 13.242,1095 0.762,1096 17.032,1097 2.136,1098 10.822,1099 12.133,1100 6.39,1101 21.925,1102 10.617,1103 3.748,1104 0.398,1105 19.024,1106 1.992,1107 12.022,1108 13.245,1109 6.932,1110 24.62,1111 11.799,1112 2.728,1113 15.396,1114 21.037,1115 0.624,1116 13.331,1117 14.794,1118 7.902,1119 27.358,1120 13.088,1121 2.652,1122 9.241,1123 23.066,1124 4.212,1125 14.602,1126 16.038,1127 8.54,1128 30.08,1129 14.34,1130 2.563,1131 9.026,1132 25.108,1133 3.467,1134 15.911,1135 17.526,1136 9.436,1137 32.815,1138 15.628,1139 2.36,1140 7.441,1141 27.159,1142 3.451,1143 17.211,1144 18.85,1145 10.13,1146 35.545,1147 16.907,1148 2.267,1149 6.951,1150 29.218,1151 3.306,1152 18.524,1153 20.308,1154 10.981,1155 38.279,1156 18.199,1157 1.989,1158 6.759,1159 31.281,1160 2.881,1161 19.836,1162 21.679,1163 11.71,1164 41.012,1165 19.489,1166 12370,1167 18927,1168 24.444,1169 40.824,1170 54.514,1171 55.573,1172 56.159,1173 54.131,1174 54.16,1175 68.027,1176 9.634,1177 162.538,1178 52.502,1179 5.813,1180 5.989,1181 7.818,1182 5.79,1183 5.748,1184 7.212,1185 3.889,1186 23.974,1187 5.663,1188 12.903,1189 1.514,1190 1.544,1191 1.56,1192 1.504,1193 1.504,1194 1.89,1195 0.268,1196 4.515,1197 1.458,1198 4.114,1199 4.151,1200 4.06,1201 4.018,1202 7.435,1203 4.023,1204 3.899,1205 3.931,1206 3.826,1207 3.839,1208 4.851,1209 3.832,1210 3.88,1211 3.909,1212 3.807,1213 3.826,1214 4.746,1215 3.817,1216 3.692,1217 3.731,1218 3.614,1219 3.552,1220 4.735,1221 3.556,1222 3.511,1223 3.577,1224 3.416,1225 3.21,1226 4.415,1227 3.254,1228 3.266,1229 3.342,1230 3.133,1231 3.092,1232 4.205,1233 3.091,1234 3.232,1235 3.312,1236 3.07,1237 3.068,1238 4.007,1239 3.059,1240 3.015,1241 3.106,1242 2.817,1243 2.855,1244 3.858,1245 2.829,1246 0.134,1247 0.111,1248 0.223,1249 0.131,1250 0.104,1251 4.842,1252 0.117,1253 3.989,1254 0.061,1255 8.016,1256 0.428,1257 4.724,1258 0.102,1259 3.748,1260 4.212,1261 2.186,1262 15.396,1263 3.663,1264 1.93,1265 1.903,1266 2.05,1267 2.03,1268 1.311,1269 2.037,1270 1.91,1271 1.881,1272 2.037,1273 1.996,1274 1.218,1275 2.011,1276 1.885,1277 1.861,1278 1.997,1279 1.968,1280 1.163,1281 1.978,1282 1.612,1283 1.563,1284 1.81,1285 1.777,1286 0.996,1287 1.788,1288 1.495,1289 1.423,1290 1.713,1291 1.745,1292 0.96,1293 1.733,1294 1.398,1295 1.325,1296 1.688,1297 1.692,1298 0.683,1299 1.7,1300 1.207,1301 1.139,1302 1.479,1303 1.42,1304 0.653,1305 1.442,1306 1.05,1307 0.971,1308 1.403,1309 1.269,1310 0.584,1311 1.322,1312 4.29,1314 5.638,1315 3.045,1316 7.191,1317 5.638,1318 8.842,1319 7.934,1320 10.557,1322 3.934,1328 3.852,1329 2.533,1330 5.476,1332 0.244,1333 5.127,1334 -0.041,1340 38.342,1341 85.757,1342 200.205,1343 266.65,1344 302.755,1345 312.265,1346 320.265,1347 45.691,1348 8.347,1349 44.81,1350 44.81,1351 28,1352 13.103,1353 4.322,1354 3.459,1355 45.258,1356 118,1357 144,1358 0.186,1359 231.898,1360 405.34,1361 557.591,1362 47480,1364 22.131,1365 0.692,1366 0.582,1367 22.131,1368 18.622,1369 15.581,1370 0.433,1371 0.311,1372 11.087,1373 15.128,1374 10.749,1375 8.923,1376 15.581,1377 11.21,1378 14.172,1379 0.273,1380 0.172,1381 14.172,1382 8.929,1383 12.317,1384 0.169,1385 0.094,1386 12.317,1387 6.861,1388 10.665,1389 0.102,1390 0.051,1391 10.665,1392 5.357,1393 9.137,1394 0.064,1395 0.028,1396 9.137,1397 4.006,1398 0.282,1399 96.548,1400 0.202,1401 29.32,1402 0.543,1403 176,1404 427.094,1405 189.359,1406 418,1407 585.77,1408 394,1409 213,1410 442.951,1411 226.975,1412 452.105,1413 667.88,1414 425,1415 5.449}
{0 CHEMBL1243268,1 1.506,2 11.154,3 4.666,4 21.774,5 94.415,6 7.562,7 0.414,8 3.974,9 4.063,10 3.558,11 3.472,12 5.061,13 3.479,14 4.548,15 4.676,16 3.995,17 3.872,18 5.724,19 3.869,20 4.753,21 4.91,22 3.981,23 4.026,24 5.795,25 3.986,26 4.833,27 5.045,28 3.83,29 3.957,30 5.854,31 3.877,32 4.739,33 4.962,34 3.684,35 3.741,36 5.822,37 3.671,38 4.422,39 4.642,40 3.441,41 3.449,42 5.468,43 3.408,44 4.164,45 4.331,46 3.502,47 3.405,48 5.443,49 3.388,50 4.317,51 4.501,52 3.444,53 3.442,54 5.557,55 3.41,56 0.069,57 0.626,58 9.542,59 4.667,60 9.103,61 5.501,62 0.715,63 1.011,64 19.865,65 7.816,66 46.285,67 9.556,68 0.392,69 1.254,70 24.463,71 9.76,72 33.542,73 12.005,74 0.448,75 1.303,76 28.659,77 10.48,78 45.663,79 13.802,80 0.708,81 1.12,82 27.692,83 8.914,84 61.783,85 11.806,86 0.544,87 0.824,88 20.297,89 6.152,90 44.159,91 8.05,92 0.454,93 0.713,94 13.827,95 4.745,96 38.982,97 6.248,98 0.498,99 0.766,100 17.211,101 5.567,102 54.967,103 6.989,104 18,105 43,106 0.258,107 0.594,108 0.74,109 0.827,110 0.835,111 0.835,112 3.304,113 0.892,114 -4.35,115 -4.28,116 -4.04,121 42.6,122 3,124 1,127 1,131 1,132 1,144 7,145 2,146 3,161 1,176 9,179 4,180 6,183 2,185 2,187 12,192 7,197 2,200 11,206 10,211 3,214 5,218 2,219 9,224 3,227 1,231 1,232 2,237 2,239 4,243 2,244 3,247 2,249 1,251 8,255 1,256 4,259 1,264 6,269 4,277 6,281 952,282 17.212,283 17.212,284 17.212,285 17.212,286 17.212,287 15.673,288 25.222,289 9.825,290 17.532,291 14.315,292 14.315,293 14.315,294 14.315,295 14.315,296 11.887,297 31.713,298 4.689,299 14.873,300 4.049,301 2.089,302 1.238,303 0.729,304 0.686,305 0.686,306 3.998,311 1,312 1,313 642,314 3.742,317 58.77,318 215.342,319 78.687,322 109.193,323 121.661,325 1.781,326 27.542,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 57.5,338 290,339 4.664,340 4.005,341 7.576,342 4.496,343 3.537,344 4.105,345 2.186,346 13.68,347 3.381,348 4.125,349 3.676,350 5.932,351 3.791,352 2.803,353 3.691,354 2.092,355 8.26,356 2.777,357 3.937,358 3.027,359 5.862,360 3.601,361 2.655,362 3.236,363 0.907,364 8.145,365 2.494,366 3.723,367 2.992,368 5.523,369 3.417,370 2.454,371 2.981,372 0.532,373 7.417,374 2.357,375 3.5,376 2.818,377 5.368,378 3.266,379 2.299,380 2.736,381 0.366,382 6.946,383 2.225,384 3.311,385 2.494,386 5.242,387 3.106,388 2.146,389 2.439,391 6.515,392 2.036,393 3.174,394 2.395,395 4.617,396 2.778,397 1.794,398 2.263,400 4.902,401 1.744,402 2.557,403 1.523,404 4.168,405 2.224,406 1.23,407 1.579,409 3.149,410 1.221,411 2.5,412 1.314,413 3.769,414 2.134,415 1.139,416 1.5,418 2.909,419 1.131,420 2.451,421 1.234,422 3.72,423 2,424 1,425 1.441,427 2.275,428 1,429 1.753,430 1,431 3.414,432 1.613,433 0.741,434 0.747,436 1.862,437 0.639,438 1.482,439 0.934,440 3.093,441 1.195,442 0.279,443 0.318,445 0.758,446 0.253,447 1.251,448 0.557,449 3.051,450 0.919,451 -0.046,452 -0.054,454 -0.119,455 -0.044,456 0.877,457 0.298,458 2.862,459 0.586,460 -0.38,461 -0.445,463 -1.066,464 -0.363,465 0.69,466 0.023,467 2.415,468 0.372,469 -0.591,470 -0.671,472 -1.808,473 -0.559,474 12.067,475 0.464,476 0.832,477 0.032,478 32.25,479 1.24,480 15,481 0.577,482 17.25,483 0.663,484 21.781,485 0.838,486 28.733,487 0.611,488 23.675,489 0.911,490 6.188,491 0.238,492 6.239,493 0.24,494 0.152,495 0.041,496 0.331,501 0.832,502 1.272,503 0.744,504 1.181,505 0.73,506 0.979,507 0.756,508 0.921,509 0.755,510 0.895,511 0.525,512 0.842,513 1.1,514 1.18,515 1.055,516 1.154,517 0.869,518 1.104,519 0.955,520 1.158,521 1.007,522 1.144,523 0.817,524 1.098,525 1.093,526 0.998,527 0.995,528 0.966,529 1.39,530 0.958,531 1.305,532 0.879,533 0.98,534 0.761,535 1.578,536 0.785,537 0.704,538 0.997,539 0.877,540 0.944,541 1.135,542 0.929,543 1.291,544 0.903,545 1.119,546 0.902,547 2.297,548 0.947,549 7.5,550 0.094,551 3.333,552 2.319,553 1.557,554 0.736,555 0.562,556 0.271,557 0.321,558 0.188,559 8756,560 22191,561 2.092,562 44.7,563 7,564 9,566 1,567 1,569 3,572 1.685,573 1.938,574 3.416,575 -0.332,582 70.779,583 1.506,584 3.466,585 4.317,586 4.826,587 4.868,588 4.868,589 2.888,590 4.133,591 4.674,592 3.627,593 1178.83,594 8.065,595 14952.8,597 1,600 261.066,601 1.619,602 4.616,603 0.259,604 0.005,605 0.078,606 0.055,607 0.046,608 0.026,609 0.024,610 0.011,611 0.014,612 0.009,613 0.527,614 0.17,615 1,616 0.777,617 128.496,618 -0.043,619 -0.123,620 0.07,621 -0.095,622 -0.119,623 -0.003,624 0.362,625 0.134,626 0.178,627 0.125,628 0.267,629 0.107,630 -0.144,631 -0.142,632 -0.136,633 -0.138,634 -0.091,635 -0.135,636 -0.068,637 -0.184,638 -0.04,639 -0.162,640 0.025,641 -0.106,642 0.026,643 -0.063,644 0.042,645 -0.027,646 -0.026,647 0.005,648 -0.093,649 0.08,650 0.073,651 0.159,652 -0.156,653 0.155,654 0.299,655 0.128,656 0.071,657 0.005,658 0.259,659 -0.008,660 -0.068,661 0.122,662 -0.109,663 0.034,664 -0.171,665 -0.028,666 2.217,667 5.187,668 0.692,669 22.586,670 1.012,671 1.121,672 3.119,673 9.726,674 0.657,675 3.401,676 3.784,677 4.043,678 4.331,679 4.564,680 4.663,681 4.771,682 4.779,683 4.883,684 4.956,685 6.697,686 0.635,687 355.42,688 3.401,689 4.977,690 5.838,691 6.744,692 7.624,693 8.534,694 9.424,695 10.337,696 11.234,697 12.15,698 2.1,705 1,715 7,720 5,722 12,737 1,739 1,741 47,743 13,744 2,745 29,747 50,748 20,749 12,750 5,751 7,756 4,757 7,763 3,768 1,772 13,773 7,774 2,777 1,782 1,786 1,790 1,793 21,794 6,795 1,796 6,802 1,808 0.5,809 5,828 1,829 3,830 1,833 1,834 1,858 2,859 2,864 3,868 26,876 1,877 1,878 4,880 2,882 1,893 10.6,896 1,897 2,898 2,901 13.417,902 9.333,903 5.472,904 2.833,907 2.2,908 1.289,909 0.957,910 4.388,911 9.817,912 3.611,913 4.19,914 4.687,915 5.224,916 5.729,917 5.89,918 6.188,919 6.352,920 6.531,921 6.768,922 1,923 42,924 9.644,926 4.192,927 0.026,929 7.766,931 18.31,933 15.251,936 2.266,937 58.917,940 1,941 235.422,942 126.196,943 18.011,945 69.144,948 126.196,949 304.567,950 18.011,951 26.476,952 22.603,953 66.334,954 58.916,955 41.615,956 6.763,957 223.651,958 2.417,959 235.422,960 144.207,961 69.144,964 200.109,965 82.458,966 22,968 51.496,969 92.711,972 235.422,973 87.155,974 126.196,977 237.839,978 30.97,979 92.809,980 18.011,981 69.144,982 235.422,983 87.155,984 126.196,986 0.6,987 0.342,988 0.179,989 0.097,990 23,991 10,992 0.08,993 4,994 3,995 1.278,996 3.827,997 221.934,998 0.333,999 17,1000 116.211,1005 17.342,1006 6.578,1007 3.458,1009 87.155,1010 12.911,1015 3.793,1017 18.011,1018 448.774,1019 36,1024 12.187,1028 -0.55,1031 47.574,1032 52.697,1034 0.271,1035 0.624,1036 0.777,1037 0.869,1038 0.876,1039 0.876,1040 4.898,1041 1.23,1042 5.878,1043 4.902,1044 4.466,1045 4.875,1046 2.975,1047 6.753,1048 4.39,1049 6.115,1050 1.139,1051 7.484,1052 3.149,1053 4.29,1054 4.758,1055 2.279,1056 7.997,1057 4.183,1058 7.442,1059 1,1060 9.2,1061 2.909,1062 6.172,1063 6.993,1064 4.118,1065 11.06,1066 6.014,1067 8.799,1068 0.741,1069 10.987,1070 2.275,1071 6.781,1072 7.604,1073 4.166,1074 13.187,1075 6.583,1076 10.187,1077 0.279,1078 12.824,1079 1.862,1080 8.211,1081 9.393,1082 5.469,1083 15.899,1084 7.971,1085 11.598,1086 -0.046,1087 14.7,1088 0.758,1089 9.174,1090 10.348,1091 5.852,1092 18.357,1093 8.888,1094 13.026,1095 -0.38,1096 16.608,1097 -0.119,1098 10.459,1099 11.947,1100 6.906,1101 20.994,1102 10.131,1103 3.537,1104 -0.591,1105 18.54,1106 -1.066,1107 11.585,1108 13.09,1109 7.459,1110 23.561,1111 11.207,1112 2.803,1113 13.68,1114 20.492,1115 -1.808,1116 12.832,1117 14.593,1118 8.386,1119 26.181,1120 12.411,1121 2.655,1122 8.26,1123 22.461,1124 4.105,1125 14.03,1126 15.843,1127 9.031,1128 28.782,1129 13.56,1130 2.454,1131 8.145,1132 24.442,1133 3.691,1134 15.274,1135 17.296,1136 9.889,1137 31.399,1138 14.757,1139 2.299,1140 7.417,1141 26.434,1142 3.236,1143 16.505,1144 18.609,1145 10.585,1146 34.01,1147 15.939,1148 2.146,1149 6.946,1150 28.433,1151 2.981,1152 17.753,1153 20.036,1154 11.406,1155 36.626,1156 17.141,1157 1.794,1158 6.515,1159 30.438,1160 2.736,1161 18.999,1162 21.386,1163 12.132,1164 39.24,1165 18.339,1166 8246,1167 13349,1168 19.186,1169 30.892,1170 44.58,1171 45.683,1172 45.566,1173 44.071,1174 44.155,1175 54.072,1176 12.165,1177 133.637,1178 42.515,1179 5.611,1180 6.005,1181 6.99,1182 5.589,1183 5.537,1184 7.105,1185 3.889,1186 21.662,1187 5.381,1188 13.25,1189 1.537,1190 1.575,1191 1.571,1192 1.52,1193 1.523,1194 1.865,1195 0.419,1196 4.608,1197 1.466,1198 4.026,1199 4.035,1200 3.981,1201 3.917,1202 7.435,1203 3.926,1204 3.941,1205 3.969,1206 3.877,1207 3.869,1208 5.045,1209 3.868,1210 3.628,1211 3.649,1212 3.56,1213 3.424,1214 4.76,1215 3.445,1216 3.528,1217 3.587,1218 3.401,1219 3.382,1220 4.67,1221 3.372,1222 3.301,1223 3.324,1224 3.208,1225 3.008,1226 4.261,1227 3.066,1228 3.126,1229 3.178,1230 2.979,1231 2.852,1232 4.153,1233 2.88,1234 2.874,1235 3.009,1236 2.714,1237 2.735,1238 4.012,1239 2.715,1240 2.859,1241 2.925,1242 2.687,1243 2.663,1244 3.865,1245 2.655,1246 0.161,1247 0.138,1248 0.261,1249 0.155,1250 0.122,1251 4.664,1252 0.142,1253 4.005,1254 0.075,1255 7.576,1256 0.472,1257 4.496,1258 0.117,1259 3.537,1260 4.105,1261 2.186,1262 13.68,1263 3.381,1264 1.94,1265 1.915,1266 2.069,1267 2.043,1268 1.252,1269 2.047,1270 1.912,1271 1.897,1272 2.003,1273 2.012,1274 1.218,1275 2.011,1276 1.543,1277 1.481,1278 1.798,1279 1.744,1280 0.91,1281 1.759,1282 1.474,1283 1.429,1284 1.713,1285 1.669,1286 0.87,1287 1.683,1288 1.187,1289 1.185,1290 1.417,1291 1.554,1292 0.51,1293 1.486,1294 1.095,1295 1.07,1296 1.387,1297 1.43,1298 0.469,1299 1.389,1300 0.934,1301 0.821,1302 1.277,1303 1.239,1304 0.35,1305 1.308,1306 0.886,1307 0.804,1308 1.192,1309 1.149,1310 0.226,1311 1.181,1312 4.078,1314 5.442,1315 2.398,1316 6.995,1317 4.844,1318 8.637,1319 7.034,1320 10.333,1322 6.172,1328 0.391,1329 2.731,1330 22.106,1332 -0.229,1334 -0.596,1340 29.863,1341 70.779,1342 162.902,1343 202.885,1344 226.801,1345 228.801,1346 228.801,1347 40.086,1348 7.617,1349 66.02,1350 66.02,1351 23,1352 12.665,1353 3.807,1354 3,1355 38.366,1356 106,1357 102,1358 0.177,1359 179.327,1360 319.79,1361 429.319,1362 21761,1364 18.311,1365 0.704,1366 0.575,1367 18.311,1368 14.945,1369 12.426,1370 0.428,1371 0.297,1372 8.469,1373 11.828,1374 8.189,1375 6.805,1376 12.426,1377 8.623,1378 12.146,1379 0.282,1380 0.163,1381 12.146,1382 7.015,1383 9.818,1384 0.175,1385 0.083,1386 9.818,1387 4.629,1388 8.359,1389 0.111,1390 0.041,1391 8.359,1392 3.101,1393 6.693,1394 0.07,1395 0.021,1396 6.693,1397 2.004,1398 0.284,1399 78.847,1400 0.228,1401 25.335,1402 0.471,1403 144,1404 457.011,1405 166.091,1406 421.079,1407 578.79,1408 396,1409 171,1410 433.435,1411 191.214,1412 430.559,1413 642.9,1414 403,1415 5.367}
{0 CHEMBL1243269,1 1.514,2 7.75,3 2.35,4 5.524,5 78.396,6 6.717,7 0.273,8 3.811,9 3.945,10 3.3,11 3.266,12 4.816,13 3.246,14 4.409,15 4.62,16 3.729,17 3.718,18 5.388,19 3.681,20 4.633,21 4.819,22 3.818,23 3.946,24 5.555,25 3.871,26 4.866,27 5.121,28 3.687,29 3.998,30 5.726,31 3.871,32 4.763,33 5.016,34 3.449,35 3.87,36 5.622,37 3.691,38 4.702,39 5.028,40 3.158,41 3.561,42 5.427,43 3.364,44 4.18,45 4.441,46 3.031,47 3.147,48 5.135,49 3.041,50 3.974,51 4.207,52 2.834,53 2.9,54 5.134,55 2.842,56 0.016,57 0.61,58 9.777,59 3.564,60 7.208,61 5.272,62 0.409,63 0.992,64 19.073,65 5.869,66 31.708,67 8.999,68 0.14,69 1.233,70 23.144,71 8.368,72 23.071,73 12.233,74 0.385,75 1.359,76 30.467,77 9.499,78 41.884,79 14.547,80 0.212,81 1.182,82 26.912,83 9.705,84 33.769,85 14.401,86 0.382,87 0.907,88 26.666,89 8.094,90 39.734,91 12.487,92 0.242,93 0.597,94 15.636,95 4.565,96 23.857,97 6.893,98 0.339,99 0.486,100 13.163,101 2.863,102 35.661,103 4.506,104 29,105 34,106 0.273,107 0.597,108 0.78,109 0.863,110 0.863,111 0.863,112 3.06,113 0.947,114 -3.1,115 -3.1,116 -2.98,121 36.6,122 1,123 1,125 1,126 3,127 1,130 1,144 3,145 1,146 2,161 1,176 5,179 2,180 7,183 2,187 6,192 8,200 5,206 5,211 2,214 3,218 1,219 5,224 2,227 2,231 1,232 1,237 1,243 1,244 2,247 1,249 2,255 1,259 1,281 440,282 13.126,283 13.126,284 13.126,285 13.126,286 13.126,287 12.31,288 21.635,289 7.283,290 13.514,291 10.727,292 10.727,293 10.727,294 10.727,295 10.727,296 9.338,297 28.989,298 3.333,299 11.293,300 3.844,301 2.043,302 1.025,303 0.561,304 0.561,305 0.561,306 3.727,310 1,311 1,312 1,313 330,314 3.317,317 66.943,318 39.192,320 54.145,321 59.02,324 81.997,325 1.2,326 14.981,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 43.5,338 155,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 3.981,349 3.658,350 6.211,351 3.638,352 2.687,353 3.318,354 0.966,355 8.828,356 2.558,357 3.674,358 2.82,359 6.169,360 3.396,361 2.456,362 2.879,363 0.693,364 8.458,365 2.29,366 3.471,367 2.742,368 5.444,369 3.295,370 2.362,371 2.592,372 0.366,373 7.152,374 2.188,375 3.297,376 2.505,377 4.838,378 2.95,379 1.988,380 2.419,382 5.281,383 1.895,384 2.616,385 1.746,386 4.67,387 2.42,388 1.476,389 1.63,391 4.351,392 1.388,393 2.518,394 1.171,395 4.214,396 2.128,397 1.134,398 1.523,400 3.06,401 1.126,402 1.787,403 1.106,404 3.723,405 1.698,406 0.735,407 0.765,409 1.826,410 0.705,411 1.507,412 0.915,413 3.088,414 1.304,415 0.39,416 0.414,418 0.594,419 0.352,420 1.224,421 0.653,422 2.931,423 0.834,424 -0.136,425 -0.165,427 -0.306,428 -0.13,429 0.762,430 -0.015,431 2.582,432 0.638,433 -0.304,434 -0.319,436 -0.747,437 -0.285,438 0.665,439 -0.171,440 2.427,441 0.308,442 -0.679,443 -0.834,445 -1.876,446 -0.662,447 0.524,448 -0.587,449 2.277,450 0.083,451 -0.908,452 -1,454 -2.679,455 -0.893,457 -0.792,458 2.139,459 -0.049,460 -1,461 -1.234,463 -2.804,464 -0.946,465 -0.169,466 -0.875,467 1.891,468 -0.397,469 -1.363,470 -1.524,472 -3.083,473 -1.31,474 9.367,475 0.468,476 0.703,477 0.035,478 22.25,479 1.113,480 8.5,481 0.425,482 13.75,483 0.688,484 18.124,485 0.906,486 23.033,487 0.562,488 15.515,489 0.776,490 4.311,491 0.216,492 5.158,493 0.258,494 0.249,495 0.053,496 0.352,501 0.824,502 1.668,503 0.864,504 1.326,505 0.62,506 1.126,507 0.754,508 0.752,509 0.782,510 0.669,511 0.394,512 0.696,513 0.943,514 1.408,515 1.045,516 1.298,517 0.67,518 1.207,519 1.121,520 0.926,521 1.134,522 0.971,523 0.868,524 1.033,525 0.644,526 1.282,527 1.12,528 1.415,529 0.779,530 1.36,531 0.871,532 0.709,533 0.737,534 0.748,535 0.737,536 0.738,537 1.197,538 1.068,539 0.921,540 1.041,541 1.211,542 0.97,543 2.297,544 0.873,545 1.406,546 0.821,547 3.215,548 0.961,549 5.5,551 3.556,552 3.146,553 1.246,554 0.646,555 0.471,556 0.297,557 0.168,558 0.045,559 3227,560 7706,561 2.007,562 51.2,563 3,564 14,565 1,567 1,569 2,572 1.622,573 1.805,574 2.896,575 -0.271,577 1,579 1,582 62.063,583 1.514,584 3.315,585 4.332,586 4.796,587 4.796,588 4.796,589 2.423,590 4.022,591 4.289,592 3.025,593 574.662,594 7.351,595 5586.97,596 1,597 1,599 1,600 219.66,601 1.776,602 4.203,603 0.25,605 0.105,606 0.087,607 0.042,608 0.031,609 0.029,610 0.021,611 0.015,612 0.009,613 0.589,614 0.83,615 1,616 1.364,617 86.168,618 -0.017,619 -0.349,620 0.079,621 -0.148,622 -0.045,623 -0.039,624 0.242,625 0.439,626 0.21,627 0.346,628 0.24,629 0.293,630 -0.084,631 -0.253,632 -0.101,633 -0.18,634 0.009,635 -0.151,636 -0.186,637 0.099,638 -0.165,639 0.012,640 -0.049,641 -0.056,642 0.047,643 -0.304,644 -0.2,645 -0.369,646 -0.042,647 -0.331,648 0.079,649 0.052,650 0.239,651 0.158,652 0.013,653 0.213,654 0.091,655 -0.18,656 0.096,657 -0.106,658 0.036,659 -0.028,660 -0.287,661 0.092,662 -0.282,663 0.004,664 -0.337,665 -0.127,666 2.096,667 4.353,668 0.6,669 13.5,670 0.998,671 1.138,672 1.869,673 3.493,674 0.629,675 3.135,676 3.555,677 3.912,678 4.263,679 4.466,680 4.564,681 4.754,682 4.804,683 4.71,684 4.615,685 4.564,686 0.591,687 275.39,688 3.135,689 4.727,690 5.631,691 6.578,692 7.509,693 8.466,694 9.411,695 10.372,696 11.325,697 12.289,698 7.3,701 1,704 1,705 1,715 3,720 3,722 6,736 1,737 1,741 41,743 7,744 1,745 22,747 43,748 15,749 6,750 3,751 3,756 3,757 6,763 1,764 1,766 1,767 1,770 1,772 7,773 8,777 1,782 1,786 1,789 1,790 1,793 21,794 5,795 1,796 5,802 3,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 4,868 20,876 2,877 1,878 1,880 1,881 2,882 1,893 4.9,896 1,898 1,901 11.083,902 8.567,903 4.319,904 2.399,907 1.322,908 1.191,909 0.934,910 3.179,911 8.23,912 3.296,913 3.861,914 4.385,915 4.93,916 5.417,917 5.674,918 6.04,919 6.273,920 6.285,921 6.221,922 1,923 36,924 7.403,926 3.149,927 0.026,929 7.663,931 14.401,933 12.196,936 2.163,937 43.25,938 0.001,941 235.422,942 85.032,943 24.259,945 36.145,948 85.032,949 271.567,950 24.259,951 34.014,952 22.651,953 28.429,954 25.145,955 28.434,956 18.534,957 223.651,959 235.422,960 109.291,961 36.145,964 211.88,965 59.687,968 34.601,969 74.69,972 235.422,973 60.404,974 85.032,977 235.422,978 22.588,979 68.692,980 18.011,981 36.145,982 235.422,983 60.404,984 85.032,986 0.603,987 0.374,988 0.203,989 0.107,990 19,991 9,992 0.047,993 2,994 2,995 1.333,996 3.052,997 161.667,998 0.333,999 12,1000 86.439,1005 13.711,1006 4.638,1007 1.935,1009 60.404,1010 5.917,1015 3.108,1017 18.011,1018 380.858,1019 26,1024 11.353,1028 -0.429,1031 40.912,1032 46.651,1034 0.283,1035 0.619,1036 0.809,1037 0.895,1038 0.895,1039 0.895,1040 4.62,1041 0.735,1042 5.707,1043 3.06,1044 4.234,1045 4.543,1046 2.466,1047 6.693,1048 4.142,1049 5.85,1050 0.39,1051 7.388,1052 1.826,1053 4.205,1054 4.559,1055 1.905,1056 8.162,1057 4.094,1058 7.208,1059 -0.136,1060 9.187,1061 0.594,1062 6.043,1063 6.66,1064 3.531,1065 11.337,1066 5.888,1067 8.603,1068 -0.304,1069 11.06,1070 -0.306,1071 6.825,1072 7.43,1073 3.612,1074 13.665,1075 6.668,1076 10.036,1077 -0.679,1078 12.984,1079 -0.747,1080 8.256,1081 9.119,1082 4.913,1083 16.498,1084 8.071,1085 11.496,1086 -0.908,1087 14.946,1088 -1.876,1089 9.371,1090 10.225,1091 5.293,1092 19.111,1093 9.183,1094 12.977,1095 -1,1096 16.935,1097 -2.679,1098 10.699,1099 11.768,1100 6.388,1101 21.864,1102 10.491,1103 3.737,1104 -1.363,1105 18.946,1106 -2.804,1107 11.942,1108 13.036,1109 6.931,1110 24.559,1111 11.723,1112 2.687,1113 15.306,1114 20.973,1115 -3.083,1116 13.251,1117 14.519,1118 7.902,1119 27.294,1120 13.015,1121 2.456,1122 8.828,1123 23.013,1124 4.206,1125 14.54,1126 15.868,1127 8.539,1128 30.013,1129 14.288,1130 2.362,1131 8.458,1132 25.062,1133 3.318,1134 15.85,1135 17.326,1136 9.436,1137 32.743,1138 15.58,1139 1.988,1140 7.152,1141 27.119,1142 2.879,1143 17.157,1144 18.716,1145 10.13,1146 35.468,1147 16.867,1148 1.476,1149 5.281,1150 29.181,1151 2.592,1152 18.47,1153 20.161,1154 10.981,1155 38.197,1156 18.161,1157 1.134,1158 4.351,1159 31.247,1160 2.419,1161 19.783,1162 21.573,1163 11.71,1164 40.924,1165 19.454,1166 3288,1167 5165,1168 13.929,1169 25.779,1170 34.178,1171 35.306,1172 37.092,1173 33.903,1174 33.929,1175 39.492,1176 8.422,1177 109.713,1178 32.32,1179 5.797,1180 5.973,1181 7.557,1182 5.778,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 11.799,1189 1.554,1190 1.605,1191 1.686,1192 1.541,1193 1.542,1194 1.795,1195 0.383,1196 4.987,1197 1.469,1198 4.089,1199 4.128,1200 4.037,1201 3.994,1202 7.435,1203 3.999,1204 3.71,1205 3.751,1206 3.631,1207 3.564,1208 4.834,1209 3.569,1210 3.517,1211 3.584,1212 3.422,1213 3.21,1214 4.454,1215 3.255,1216 3.291,1217 3.388,1218 3.117,1219 3.061,1220 4.224,1221 3.06,1222 3.243,1223 3.339,1224 3.041,1225 3.035,1226 4.05,1227 3.024,1228 2.976,1229 3.093,1230 2.77,1231 2.762,1232 3.897,1233 2.729,1234 2.969,1235 3.014,1236 2.679,1237 2.697,1238 3.815,1239 2.698,1240 2.775,1241 2.849,1242 2.583,1243 2.611,1244 3.497,1245 2.599,1246 0.22,1247 0.181,1248 0.364,1249 0.214,1250 0.17,1251 4.832,1252 0.191,1253 3.973,1254 0.099,1255 8.006,1256 0.696,1257 4.714,1258 0.166,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.903,1265 1.884,1266 2.004,1267 1.995,1268 1.31,1269 1.995,1270 1.633,1271 1.578,1272 1.833,1273 1.836,1274 1.058,1275 1.837,1276 1.535,1277 1.455,1278 1.788,1279 1.772,1280 1.013,1281 1.781,1282 1.4,1283 1.327,1284 1.69,1285 1.717,1286 0.683,1287 1.712,1288 1.22,1289 1.124,1290 1.577,1291 1.488,1292 0.642,1293 1.522,1294 1.014,1295 0.899,1296 1.453,1297 1.291,1298 0.563,1299 1.354,1300 0.878,1301 0.833,1302 1.177,1303 1.209,1304 0.347,1305 1.176,1306 0.797,1307 0.727,1308 1.077,1309 1.041,1310 0.15,1311 1.091,1312 3.807,1314 5.198,1315 3.045,1316 6.792,1317 5.638,1318 8.486,1319 7.921,1320 10.242,1322 8.163,1328 2.209,1329 2.473,1330 5.262,1332 0.382,1333 4.714,1334 0.098,1340 24.235,1341 62.063,1342 135.908,1343 177.621,1344 196.64,1345 196.64,1346 196.64,1347 28.295,1348 6.908,1349 44.81,1350 44.81,1351 16,1352 12.771,1353 3,1354 2.322,1355 29.875,1356 54,1357 64,1358 0.29,1359 149.141,1360 260.1,1361 355.664,1362 7381,1364 14.491,1365 0.725,1366 0.622,1367 14.491,1368 12.435,1369 9.469,1370 0.43,1371 0.316,1372 6.811,1373 8.995,1374 6.493,1375 5.434,1376 9.469,1377 6.943,1378 9.105,1379 0.268,1380 0.175,1381 9.105,1382 5.951,1383 8.047,1384 0.164,1385 0.096,1386 8.047,1387 4.716,1388 6.971,1389 0.1,1390 0.054,1391 6.971,1392 3.777,1393 5.42,1394 0.063,1395 0.029,1396 5.42,1397 2.527,1398 0.431,1399 60.049,1400 0.268,1401 19.279,1402 0.867,1403 112,1404 299.094,1405 124.692,1406 284.125,1407 392.55,1408 266,1409 139,1410 296.247,1411 151.976,1412 300.356,1413 445.67,1414 279,1415 5.005}
{0 CHEMBL1243297,1 1.377,2 13.027,3 7.094,4 50.325,5 147.399,6 7.201,7 0.571,8 4.312,9 4.428,10 3.87,11 3.912,12 5.355,13 3.878,14 4.861,15 5.022,16 4.257,17 4.336,18 5.88,19 4.279,20 5.158,21 5.354,22 4.316,23 4.504,24 6.047,25 4.41,26 5.305,27 5.554,28 4.288,29 4.518,30 6.146,31 4.407,32 5.28,33 5.502,34 4.345,35 4.543,36 6.201,37 4.444,38 5.342,39 5.577,40 4.374,41 4.607,42 6.22,43 4.501,44 5.305,45 5.512,46 4.352,47 4.639,48 6.232,49 4.518,50 5.359,51 5.609,52 4.21,53 4.57,54 6.256,55 4.422,56 0.049,57 0.931,58 14.151,59 6.338,60 10.832,61 8.405,62 0.39,63 1.608,64 26.465,65 10.642,66 37.07,67 14.519,68 0.236,69 2.098,70 37.026,71 14.839,72 34.36,73 20.3,74 0.387,75 2.416,76 45.762,77 16.602,78 48.853,79 23.416,80 0.404,81 2.277,82 43.86,83 16.995,84 55.635,85 23.092,86 0.494,87 2.378,88 47.626,89 18.572,90 58.905,91 25.214,92 0.359,93 2.34,94 43.599,95 18.421,96 49.39,97 25.025,98 0.479,99 2.417,100 48.738,101 19.358,102 68.284,103 26.706,104 5,105 60,106 0.214,107 0.485,108 0.638,109 0.767,110 0.82,111 0.845,112 3.643,113 0.919,114 -6.31,115 -6.15,116 -5.71,121 47.1,122 1,123 1,125 1,127 3,130 1,144 18,145 3,146 3,161 1,176 21,179 2,180 9,183 2,185 2,187 22,192 12,197 2,200 13,206 15,211 3,214 8,218 1,219 15,224 2,227 18,231 1,232 7,237 1,239 29,243 1,244 5,247 1,249 2,251 34,255 1,256 3,259 1,264 28,269 7,274 1,277 22,281 2751,282 25.548,283 25.548,284 25.548,285 25.548,286 25.548,287 22.479,288 32.218,289 15.295,290 25.895,291 20.83,292 20.83,293 20.83,294 20.83,295 20.83,296 16.384,297 48.496,298 7.385,299 21.423,300 4.711,301 2.969,302 1.987,303 1.159,304 0.816,305 0.658,306 4.361,312 1,313 1076,314 3.808,317 142.05,318 421.578,320 115.585,321 128.085,324 175.445,325 2.083,326 22.354,329 0.75,330 0.5,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.73,337 77.5,338 482,339 4.842,340 3.989,341 8.016,342 4.724,343 3.748,344 4.212,345 2.186,346 15.396,347 3.663,348 4.033,349 3.675,350 6.312,351 3.696,352 2.744,353 3.487,354 1.042,355 9.241,356 2.621,357 3.949,358 2.989,359 6.247,360 3.623,361 2.654,362 3.462,363 0.843,364 9.027,365 2.577,366 3.923,367 2.942,368 5.574,369 3.595,370 2.631,371 3.45,372 0.366,373 7.643,374 2.529,375 3.869,376 2.696,377 5.464,378 3.476,379 2.493,380 3.293,381 0.265,382 7.229,383 2.45,384 3.616,385 2.535,386 5.31,387 3.28,388 2.314,389 2.859,390 0.114,391 6.807,392 2.217,393 3.46,394 2.491,395 5.291,396 3.193,397 2.238,398 2.599,400 6.705,401 2.118,402 3.296,403 2.402,404 4.883,405 2.897,406 1.919,407 2.463,409 5.205,410 1.859,411 2.954,412 1.804,413 4.618,414 2.576,415 1.602,416 2.118,418 4.672,419 1.557,420 2.872,421 1.544,422 4.22,423 2.441,424 1.444,425 2.022,427 3.152,428 1.439,429 2.847,430 1.519,431 3.917,432 2.38,433 1.39,434 1.98,436 3.028,437 1.372,438 2.594,439 1.46,440 3.597,441 2.298,442 1.321,443 1.612,445 3.005,446 1.286,447 2.516,448 1.168,449 3.572,450 2.125,451 1.131,452 1.52,454 2.986,455 1.124,456 2.5,457 1,458 3.546,459 2,460 1,461 1.5,463 2.136,464 1,465 2.5,466 1,467 3.247,468 2,469 1,470 1.5,472 2.136,473 1,474 17.867,475 0.483,476 0.832,477 0.022,478 50.75,479 1.372,480 27,481 0.73,482 23.75,483 0.642,484 33.476,485 0.905,486 37.933,487 0.558,488 40.641,489 1.098,490 9.978,491 0.27,492 8.12,493 0.219,494 0.047,495 0.028,496 0.269,501 0.796,502 1.21,503 0.801,504 1.011,505 0.624,506 0.92,507 0.716,508 1.042,509 0.916,510 0.956,511 0.474,512 0.947,513 1.037,514 1.31,515 1.076,516 1.174,517 0.75,518 1.134,519 1.112,520 1.007,521 1.007,522 0.945,523 0.687,524 0.946,525 1.246,526 1.049,527 1.012,528 1.018,529 1.223,530 0.996,531 1.272,532 0.824,533 0.931,534 0.827,535 1.058,536 0.846,537 0.909,538 1.086,539 1.096,540 1.143,541 0.94,542 1.145,543 1.025,544 0.912,545 1.053,546 0.995,547 1.346,548 1.025,549 7,550 0.212,551 3.556,552 3.458,553 1.984,554 1.626,555 1.119,556 0.633,557 0.5,558 0.29,559 21595,560 48407,561 2.19,562 45.6,563 3,564 24,565 1,567 1,569 2,572 1.786,573 2.104,574 3.623,575 -0.472,582 93.613,583 1.377,584 3.118,585 4.101,586 4.929,587 5.271,588 5.429,589 3.115,590 4.777,591 5.17,592 3.821,593 2544.72,594 9.139,595 40466.9,600 413.947,601 1.284,602 5.16,603 0.167,604 0.005,605 0.059,606 0.057,607 0.034,608 0.026,609 0.017,610 0.01,611 0.009,612 0.006,613 0.391,614 0.33,615 0.63,616 0.368,617 201.682,618 0.009,619 -0.113,620 0.071,621 -0.023,622 -0.029,623 0.021,624 0.287,625 0.062,626 0.011,627 0.004,628 0.188,629 -0.016,630 -0.059,631 -0.27,632 -0.123,633 -0.204,634 -0.039,635 -0.178,636 -0.07,637 0.039,638 -0.001,639 0.002,640 0.077,641 0.013,642 -0.017,643 -0.05,644 -0.014,645 -0.044,646 -0.007,647 -0.031,648 -0.056,649 0.147,650 0.077,651 0.16,652 -0.04,653 0.136,654 -0.002,655 -0.105,656 -0.143,657 -0.144,658 -0.06,659 -0.158,660 -0.017,661 0.046,662 -0.053,663 -0.004,664 -0.112,665 -0.028,666 2.149,667 5.598,668 0.811,669 49.118,670 0.99,671 1.114,672 5.083,673 25.841,674 0.685,675 3.761,676 4.111,677 4.431,678 4.787,679 5.069,680 5.226,681 5.493,682 5.697,683 5.855,684 6.011,685 7.637,686 0.645,687 489.66,688 3.761,689 5.323,690 6.196,691 7.106,692 8.008,693 8.936,694 9.858,695 10.8,696 11.736,697 12.688,698 4.4,701 1,704 1,705 1,715 18,720 6,722 24,736 1,737 1,741 68,743 25,744 4,745 42,747 73,748 32,749 24,750 6,751 18,756 6,757 9,763 1,764 1,766 1,767 1,770 1,772 25,773 7,777 1,782 1,786 1,793 31,794 5,795 1,796 5,802 3,808 0.667,809 2,825 1,828 2,829 4,831 1,832 1,835 1,855 1,859 4,864 1,868 37,876 4,877 1,878 1,880 1,881 2,882 1,893 2.9,896 1,898 1,901 17.583,902 12.317,903 7.986,904 4.094,907 3.187,908 1.362,909 1.01,910 6.455,911 11.991,912 4.025,913 4.595,914 5.121,915 5.678,916 6.19,917 6.295,918 6.719,919 7.123,920 7.451,921 7.823,922 0.889,923 61,924 13.709,926 5.923,927 0.026,929 7.534,931 26.843,933 22.944,936 2.034,937 75.25,941 353.133,942 215.325,943 24.259,945 36.145,948 215.325,949 389.278,950 24.259,951 8.825,952 26.862,953 170.572,954 25.145,955 37.562,956 18.534,957 341.362,959 353.133,960 239.585,961 36.145,964 329.591,965 59.687,968 38.812,969 200.773,972 353.133,973 60.404,974 215.325,977 353.133,978 35.928,979 185.646,980 18.011,981 36.145,982 353.133,983 60.404,984 215.325,986 0.58,987 0.337,988 0.194,989 0.11,990 31,991 12,992 0.096,993 7,994 2,995 1.133,996 4.732,997 383.657,998 0.133,999 30,1000 180.75,1005 23.78,1006 10.044,1007 4.75,1009 60.404,1010 36.822,1015 6.34,1017 18.011,1018 628.863,1019 55,1024 12.598,1028 -0.482,1031 67.33,1032 75.727,1034 0.226,1035 0.512,1036 0.674,1037 0.81,1038 0.866,1039 0.892,1040 5.278,1041 1.919,1042 6.196,1043 6.705,1044 4.796,1045 5.283,1046 2.554,1047 7.083,1048 4.738,1049 6.472,1050 1.602,1051 7.794,1052 5.205,1053 4.443,1054 4.913,1055 1.905,1056 8.333,1057 4.349,1058 7.778,1059 1.444,1060 9.514,1061 4.672,1062 6.469,1063 7.377,1064 3.56,1065 11.518,1066 6.35,1067 9.12,1068 1.39,1069 11.32,1070 3.152,1071 7.022,1072 7.797,1073 3.622,1074 13.76,1075 6.876,1076 10.5,1077 1.321,1078 13.189,1079 3.028,1080 8.534,1081 9.746,1082 4.92,1083 16.586,1084 8.367,1085 11.909,1086 1.131,1087 15.107,1088 3.005,1089 9.518,1090 10.569,1091 5.296,1092 19.176,1093 9.331,1094 13.344,1095 1,1096 17.062,1097 2.986,1098 10.865,1099 12.274,1100 6.39,1101 21.928,1102 10.659,1103 3.748,1104 1,1105 19.046,1106 2.136,1107 12.046,1108 13.333,1109 6.932,1110 24.621,1111 11.821,1112 2.744,1113 15.396,1114 21.053,1115 2.136,1116 13.354,1117 14.905,1118 7.902,1119 27.358,1120 13.109,1121 2.654,1122 9.241,1123 23.078,1124 4.212,1125 14.617,1126 16.111,1127 8.54,1128 30.08,1129 14.352,1130 2.631,1131 9.027,1132 25.116,1133 3.487,1134 15.923,1135 17.611,1136 9.436,1137 32.815,1138 15.638,1139 2.493,1140 7.643,1141 27.165,1142 3.462,1143 17.219,1144 18.908,1145 10.13,1146 35.545,1147 16.914,1148 2.314,1149 7.229,1150 29.222,1151 3.45,1152 18.53,1153 20.37,1154 10.981,1155 38.279,1156 18.204,1157 2.238,1158 6.807,1159 31.284,1160 3.293,1161 19.84,1162 21.722,1163 11.71,1164 41.012,1165 19.492,1166 19820,1167 29838,1168 29.008,1169 46.586,1170 63.696,1171 64.353,1172 64.305,1173 63.12,1174 63.158,1175 81.199,1176 9.634,1177 186.051,1178 61.447,1179 5.813,1180 5.989,1181 7.818,1182 5.812,1183 5.748,1184 7.212,1185 3.889,1186 23.974,1187 5.663,1188 11.122,1189 1.517,1190 1.532,1191 1.531,1192 1.503,1193 1.504,1194 1.933,1195 0.229,1196 4.43,1197 1.463,1198 4.116,1199 4.154,1200 4.063,1201 4.021,1202 7.435,1203 4.026,1204 3.899,1205 3.934,1206 3.832,1207 3.84,1208 4.861,1209 3.832,1210 3.898,1211 3.931,1212 3.826,1213 3.827,1214 4.759,1215 3.82,1216 3.88,1217 3.909,1218 3.807,1219 3.819,1220 4.746,1221 3.815,1222 3.678,1223 3.717,1224 3.595,1225 3.551,1226 4.734,1227 3.553,1228 3.387,1229 3.415,1230 3.332,1231 3.126,1232 4.401,1233 3.161,1234 3.252,1235 3.329,1236 3.121,1237 3.077,1238 4.108,1239 3.075,1240 3.218,1241 3.29,1242 3.066,1243 3.023,1244 3.886,1245 3.042,1246 0.115,1247 0.095,1248 0.191,1249 0.112,1250 0.089,1251 4.842,1252 0.1,1253 3.989,1254 0.052,1255 8.016,1256 0.367,1257 4.724,1258 0.087,1259 3.748,1260 4.212,1261 2.186,1262 15.396,1263 3.663,1264 1.93,1265 1.904,1266 2.05,1267 2.031,1268 1.311,1269 2.037,1270 1.91,1271 1.881,1272 2.037,1273 2.002,1274 1.218,1275 2.012,1276 1.892,1277 1.865,1278 2.012,1279 1.989,1280 1.163,1281 2,1282 1.877,1283 1.848,1284 1.994,1285 1.955,1286 1.06,1287 1.97,1288 1.611,1289 1.562,1290 1.808,1291 1.769,1292 0.996,1293 1.783,1294 1.494,1295 1.421,1296 1.712,1297 1.715,1298 0.96,1299 1.723,1300 1.24,1301 1.202,1302 1.482,1303 1.539,1304 0.655,1305 1.49,1306 1.155,1307 1.103,1308 1.403,1309 1.391,1310 0.584,1311 1.405,1312 4.443,1314 5.784,1315 3.045,1316 7.326,1317 5.638,1318 8.965,1319 7.934,1320 10.664,1322 2.361,1328 3.792,1329 2.81,1330 5.731,1332 0.219,1333 5.134,1334 -0.075,1340 43.869,1341 93.613,1342 212.056,1343 278.85,1344 335.153,1345 358.438,1346 369.193,1347 52.858,1348 8.804,1349 44.81,1350 44.81,1351 34,1352 13.18,1353 4.7,1354 3.807,1355 50.766,1356 165,1357 199,1358 0.148,1359 263.684,1360 460.66,1361 635.15,1362 87480,1364 25.244,1365 0.682,1366 0.568,1367 25.244,1368 21.009,1369 18.098,1370 0.431,1371 0.306,1372 12.756,1373 17.665,1374 12.424,1375 10.291,1376 18.098,1377 12.87,1378 16.504,1379 0.275,1380 0.17,1381 16.504,1382 10.17,1383 14.081,1384 0.17,1385 0.092,1386 14.081,1387 7.677,1388 12.586,1389 0.106,1390 0.05,1391 12.586,1392 5.97,1393 10.559,1394 0.067,1395 0.028,1396 10.559,1397 4.371,1398 0.23,1399 111.504,1400 0.186,1401 33.502,1402 0.415,1403 204,1404 487.094,1405 218.025,1406 481.427,1407 677.86,1408 454,1409 245,1410 515.796,1411 259.641,1412 527.298,1413 776.82,1414 497,1415 4.386}
{0 CHEMBL1243298,1 1.433,2 11,3 4.215,4 17.762,5 111.215,6 6.864,7 0.375,8 4.108,9 4.232,10 3.631,11 3.645,12 5.08,13 3.613,14 4.717,15 4.91,16 4.065,17 4.111,18 5.647,19 4.062,20 4.988,21 5.176,22 4.168,23 4.332,24 5.864,25 4.246,26 5.201,27 5.448,28 4.046,29 4.337,30 6.073,31 4.212,32 5.09,33 5.344,34 3.844,35 4.179,36 5.982,37 4.027,38 4.955,39 5.25,40 3.663,41 3.93,42 5.788,43 3.787,44 4.585,45 4.811,46 3.605,47 3.726,48 5.586,49 3.643,50 4.482,51 4.689,52 3.568,53 3.703,54 5.52,55 3.634,56 0.032,57 0.811,58 12.583,59 5.23,60 8.012,61 7.234,62 0.436,63 1.409,64 24.952,65 8.741,66 30.181,67 12.628,68 0.174,69 1.782,70 32.176,71 12.577,72 21.166,73 17.69,74 0.465,75 1.996,76 42.387,77 14.335,78 52.185,79 20.583,80 0.368,81 1.71,82 37.875,83 13.742,84 51.152,85 19.477,86 0.43,87 1.376,88 34.417,89 11.72,90 49.795,91 16.696,92 0.331,93 1.028,94 23.039,95 8.008,96 36.454,97 10.89,98 0.376,99 0.983,100 20.696,101 6.758,102 39.769,103 9.248,104 17,105 49,106 0.237,107 0.546,108 0.782,109 0.865,110 0.877,111 0.883,112 3.375,113 0.945,114 -4.7,115 -4.61,116 -4.34,121 41.8,122 1,123 2,125 1,126 2,127 3,130 1,144 7,145 3,146 2,161 1,176 12,179 4,180 9,187 14,192 10,200 10,206 13,214 4,218 1,219 12,227 2,231 1,232 6,239 4,243 2,244 6,251 8,255 2,264 10,269 2,277 12,281 1104,282 18.841,283 18.841,284 18.841,285 18.841,286 18.841,287 17.299,288 27.794,289 10.606,290 19.247,291 15.749,292 15.749,293 15.749,294 15.749,295 15.749,296 13.313,297 37.735,298 4.99,299 16.395,300 4.349,301 2.482,302 1.053,303 0.55,304 0.478,305 0.441,306 4.083,311 1,312 1,313 696,314 3.391,317 104.608,318 196.182,320 84.409,321 88.62,322 117.262,324 124.248,325 1.571,326 20.093,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 59.5,338 308,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.209,346 15.306,347 3.657,348 4.254,349 3.796,350 6.259,351 3.952,352 2.984,353 3.82,354 0.966,355 9.442,356 2.904,357 4.009,358 3.107,359 6.208,360 3.662,361 2.706,362 3.337,363 0.796,364 8.835,365 2.574,366 3.803,367 2.825,368 6.169,369 3.502,370 2.541,371 3.025,372 0.693,373 8.478,374 2.423,375 3.52,376 2.743,377 5.924,378 3.352,379 2.417,380 2.7,381 0.247,382 8.226,383 2.251,384 3.357,385 2.526,386 5.279,387 3.099,388 2.166,389 2.447,391 6.63,392 2.014,393 2.939,394 2.161,395 4.76,396 2.614,397 1.618,398 2.108,400 4.495,401 1.612,402 2.912,403 1.898,404 4.439,405 2.511,406 1.549,407 2.045,409 4.381,410 1.491,411 2.629,412 1.745,413 4.22,414 2.418,415 1.446,416 1.64,418 3.459,419 1.394,420 2.543,421 1.451,422 4.064,423 2.171,424 1.192,425 1.544,427 3.06,428 1.154,429 2.481,430 1.171,431 3.72,432 2.123,433 1.13,434 1.425,436 2.875,437 1.118,438 1.87,439 0.928,440 3.601,441 1.695,442 0.728,443 0.78,445 1.81,446 0.702,447 1.782,448 0.785,449 3.163,450 1.629,451 0.645,452 0.745,454 1.518,455 0.632,456 1.231,457 0.687,458 3.087,459 0.872,460 -0.074,461 -0.089,463 -0.196,464 -0.069,465 0.833,466 -0.002,467 2.857,468 0.641,469 -0.3,470 -0.309,472 -0.743,473 -0.281,474 13.367,475 0.477,476 0.874,477 0.031,478 33.5,479 1.196,480 14.5,481 0.518,482 19,483 0.679,484 27.04,485 0.966,486 30.433,487 0.553,488 24.515,489 0.876,490 6.33,491 0.226,492 7.14,493 0.255,494 0.137,495 0.037,496 0.352,501 0.777,502 1.469,503 0.827,504 1.18,505 0.588,506 1.033,507 0.8,508 0.839,509 0.842,510 0.753,511 0.442,512 0.775,513 0.913,514 1.35,515 1.05,516 1.257,517 0.67,518 1.182,519 1.389,520 0.993,521 1.154,522 1.012,523 1.226,524 1.042,525 1.117,526 1.12,527 1.095,528 1.183,529 1.295,530 1.149,531 1.278,532 0.715,533 0.784,534 0.741,535 1.171,536 0.719,537 1.657,538 0.949,539 0.985,540 0.941,541 1.785,542 0.91,543 1.975,544 0.812,545 1.166,546 0.783,547 2.705,548 0.873,549 6.5,550 0.193,551 4.667,552 3.458,553 1.962,554 0.882,555 0.532,556 0.483,557 0.303,558 0.21,559 10419,560 21029,561 2.146,562 49.1,563 3,564 19,565 1,569 4,572 1.708,573 1.988,574 3.4,575 -0.813,577 1,582 78.796,583 1.433,584 3.3,585 4.728,586 5.231,587 5.304,588 5.34,589 2.839,590 4.593,591 4.783,592 3.558,593 1345.09,594 8.3,595 17364.1,597 1,599 1,600 317.975,601 1.617,602 4.726,603 0.203,604 0.009,605 0.095,606 0.067,607 0.046,608 0.027,609 0.018,610 0.017,611 0.011,612 0.008,613 0.5,614 0.5,615 0.88,616 0.573,617 139.729,618 0.026,619 -0.265,620 0.095,621 -0.094,622 -0.016,623 -0.01,624 0.232,625 0.329,626 0.136,627 0.235,628 0.182,629 0.189,630 -0.037,631 -0.265,632 -0.104,633 -0.223,634 -0.002,635 -0.18,636 -0.175,637 0.006,638 -0.147,639 -0.059,640 -0.07,641 -0.089,643 -0.187,644 -0.101,645 -0.204,646 -0.048,647 -0.171,648 0.043,649 0.129,650 0.251,651 0.204,652 0.04,653 0.246,654 -0.002,655 -0.006,656 0.059,657 0.032,658 -0.018,659 0.043,660 -0.201,661 0.221,662 -0.112,663 0.171,664 -0.25,665 0.053,666 1.925,667 5.787,668 0.786,669 22.745,670 0.992,671 1.125,672 3.467,673 12.022,674 0.656,675 3.497,676 3.912,677 4.277,678 4.615,679 4.852,680 4.934,681 5.112,682 5.209,683 5.263,684 5.303,685 6.439,686 0.615,687 377.53,688 3.497,689 5.094,690 5.999,691 6.932,692 7.855,693 8.794,694 9.726,695 10.669,696 11.606,697 12.552,698 5.5,701 1,704 1,705 1,715 7,720 5,722 12,736 1,737 1,741 55,743 13,744 2,745 32,747 59,748 23,749 12,750 5,751 7,756 5,757 9,763 1,764 1,766 1,767 2,770 2,772 13,773 10,777 1,782 1,786 1,790 1,793 27,794 5,796 5,802 3,808 0.4,809 2,825 1,828 2,829 3,831 1,832 1,833 1,835 1,855 1,859 2,864 3,868 28,876 5,878 1,880 1,881 3,882 1,893 3.6,896 1,898 1,901 14.083,902 10.85,903 5.875,904 3.399,907 2.307,908 1.28,909 0.989,910 4.182,911 10.533,912 3.689,913 4.277,914 4.828,915 5.362,916 5.861,917 6.047,918 6.392,919 6.667,920 6.843,921 6.931,922 1,923 52,924 10.433,926 4.587,927 0.026,929 7.521,931 20.595,933 18.088,936 2.021,937 56.583,939 1,940 1,941 317.82,942 127.657,943 9.373,945 36.145,948 127.657,949 353.965,950 9.373,951 25.618,952 14.51,953 66.334,954 25.145,955 34.805,956 18.534,957 306.049,959 317.82,960 137.03,961 36.145,964 270.735,965 83.229,968 26.46,969 110.57,972 317.82,973 45.518,974 127.657,977 317.82,978 35.706,979 101.325,981 36.145,982 317.82,983 45.518,984 127.657,986 0.605,987 0.375,988 0.21,989 0.112,990 28,991 12,992 0.034,993 2,994 3,995 1.273,996 3.927,997 264.013,998 0.273,999 22,1000 134.606,1005 18.019,1006 6.498,1007 2.772,1009 45.518,1010 14.433,1015 5.721,1018 490.995,1019 39,1024 12.787,1028 -0.258,1031 54.563,1032 61.896,1034 0.248,1035 0.571,1036 0.818,1037 0.905,1038 0.917,1039 0.924,1040 5.004,1041 1.549,1042 6.047,1043 4.495,1044 4.595,1045 4.963,1046 2.562,1047 6.995,1048 4.52,1049 6.222,1050 1.446,1051 7.698,1052 4.381,1053 4.443,1054 4.856,1055 1.961,1056 8.34,1057 4.336,1058 7.563,1059 1.192,1060 9.465,1061 3.459,1062 6.354,1063 7.085,1064 3.581,1065 11.507,1066 6.216,1067 8.939,1068 1.13,1069 11.305,1070 3.06,1071 7.04,1072 7.757,1073 3.681,1074 13.758,1075 6.884,1076 10.352,1077 0.728,1078 13.196,1079 2.875,1080 8.494,1081 9.525,1082 4.968,1083 16.571,1084 8.316,1085 11.793,1086 0.645,1087 15.126,1088 1.81,1089 9.543,1090 10.554,1091 5.379,1092 19.15,1093 9.352,1094 13.255,1095 -0.074,1096 17.086,1097 1.518,1098 10.865,1099 12.137,1100 6.464,1101 21.892,1102 10.656,1103 3.737,1104 -0.3,1105 19.071,1106 -0.196,1107 12.066,1108 13.345,1109 7.035,1110 24.575,1111 11.843,1112 2.984,1113 15.306,1114 21.075,1115 -0.743,1116 13.361,1117 14.843,1118 8,1119 27.304,1120 13.12,1121 2.706,1122 9.442,1123 23.095,1124 4.206,1125 14.625,1126 16.146,1127 8.662,1128 30.019,1129 14.368,1130 2.541,1131 8.835,1132 25.128,1133 3.82,1134 15.921,1135 17.603,1136 9.557,1137 32.746,1138 15.646,1139 2.417,1140 8.478,1141 27.171,1142 3.337,1143 17.212,1144 18.958,1145 10.271,1146 35.47,1147 16.919,1148 2.166,1149 8.226,1150 29.222,1151 3.025,1152 18.515,1153 20.396,1154 11.125,1155 38.198,1156 18.202,1157 1.618,1158 6.63,1159 31.28,1160 2.7,1161 19.819,1162 21.781,1163 11.871,1164 40.925,1165 19.486,1166 9546,1167 13702,1168 21.383,1169 36.063,1170 50.196,1171 51.054,1172 52.047,1173 49.778,1174 49.715,1175 59.645,1176 9.822,1177 157.031,1178 47.851,1179 5.797,1180 5.973,1181 7.693,1182 5.808,1183 5.737,1184 7.206,1185 3.913,1186 23.813,1187 5.657,1188 13.303,1189 1.569,1190 1.595,1191 1.626,1192 1.556,1193 1.554,1194 1.864,1195 0.307,1196 4.907,1197 1.495,1198 4.097,1199 4.134,1200 4.043,1201 4,1202 7.433,1203 4.005,1204 3.985,1205 4.021,1206 3.919,1207 3.914,1208 4.838,1209 3.91,1210 3.705,1211 3.745,1212 3.626,1213 3.564,1214 4.734,1215 3.569,1216 3.536,1217 3.587,1218 3.452,1219 3.346,1220 4.444,1221 3.36,1222 3.308,1223 3.395,1224 3.158,1225 3.082,1226 4.158,1227 3.09,1228 3.252,1229 3.344,1230 3.062,1231 3.043,1232 4.031,1233 3.033,1234 3.173,1235 3.233,1236 3.012,1237 2.99,1238 3.899,1239 2.984,1240 3.011,1241 3.093,1242 2.869,1243 2.804,1244 3.83,1245 2.827,1246 0.151,1247 0.124,1248 0.25,1249 0.147,1250 0.117,1251 4.832,1252 0.131,1253 3.973,1254 0.069,1255 8.006,1256 0.478,1257 4.714,1258 0.114,1259 3.737,1260 4.206,1261 2.209,1262 15.306,1263 3.657,1264 1.975,1265 1.946,1266 2.097,1267 2.08,1268 1.34,1269 2.086,1270 1.902,1271 1.882,1272 2.003,1273 1.987,1274 1.31,1275 1.991,1276 1.633,1277 1.578,1278 1.832,1279 1.836,1280 1.058,1281 1.837,1282 1.536,1283 1.459,1284 1.787,1285 1.758,1286 1.012,1287 1.776,1288 1.484,1289 1.424,1290 1.7,1291 1.692,1292 0.87,1293 1.692,1294 1.233,1295 1.155,1296 1.579,1297 1.499,1298 0.678,1299 1.528,1300 1.151,1301 1.081,1302 1.453,1303 1.378,1304 0.643,1305 1.397,1306 1.014,1307 0.908,1308 1.436,1309 1.291,1310 0.563,1311 1.354,1312 4.174,1314 5.565,1315 3.045,1316 7.157,1317 5.638,1318 8.843,1319 7.921,1320 10.582,1322 6.678,1328 4.404,1330 5.805,1332 0.368,1333 6.571,1334 0.075,1340 33.815,1341 78.796,1342 181.478,1343 260.059,1344 287.71,1345 291.71,1346 293.71,1347 40.881,1348 8.226,1349 36.02,1350 36.02,1351 28,1352 13.046,1353 3.807,1354 3,1355 37.839,1356 110,1357 104,1358 0.17,1359 202.311,1360 354.96,1361 485.399,1362 45809,1364 19.466,1365 0.695,1366 0.6,1367 19.466,1368 16.812,1369 13.47,1370 0.421,1371 0.315,1372 9.948,1373 12.989,1374 9.594,1375 7.926,1376 13.47,1377 10.084,1378 12.947,1379 0.264,1380 0.176,1381 12.947,1382 8.62,1383 11.704,1384 0.165,1385 0.097,1386 11.704,1387 6.895,1388 10.38,1389 0.104,1390 0.054,1391 10.38,1392 5.436,1393 8.403,1394 0.066,1395 0.03,1396 8.403,1397 3.758,1398 0.267,1399 84.071,1400 0.216,1401 26.544,1402 0.466,1403 162,1404 388.406,1405 175.719,1406 375.83,1407 528.89,1408 354,1409 201,1410 404.656,1411 216.306,1412 412.669,1413 614.87,1414 386,1415 6.83}
{0 CHEMBL1243329,1 1.632,2 7.842,3 2.156,4 4.648,5 77.464,6 7.525,7 0.286,8 3.714,9 3.829,10 3.357,11 3.277,12 4.714,13 3.218,14 4.302,15 4.482,16 3.743,17 3.718,18 5.302,19 3.623,20 4.534,21 4.726,22 3.799,23 3.895,24 5.415,25 3.756,26 4.622,27 4.85,28 3.738,29 3.854,30 5.513,31 3.691,32 4.448,33 4.688,34 3.427,35 3.673,36 5.329,37 3.495,38 4.305,39 4.555,40 3.189,41 3.405,42 5.168,43 3.204,44 3.985,45 4.272,46 2.882,47 2.985,48 4.768,49 2.826,50 3.651,51 3.828,52 2.641,53 2.695,54 4.768,55 2.624,56 0.01,57 0.55,58 8.597,59 3.792,60 5.319,61 4.768,62 0.335,63 0.928,64 19.088,65 6.745,66 28.391,67 8.519,68 0.158,69 1.108,70 24.104,71 9.322,72 22.109,73 11.489,74 0.295,75 1.155,76 30.22,77 9.921,78 34.687,79 12.319,80 0.154,81 0.966,82 23.271,83 8.386,84 24.823,85 10.757,86 0.253,87 0.786,88 22.26,89 7.079,90 24.555,91 9.085,92 0.102,93 0.535,94 14.87,95 4.88,96 14.239,97 6.423,98 0.32,99 0.392,100 11.966,101 2.951,102 25.224,103 3.14,104 13,105 30,106 0.301,107 0.637,108 0.829,109 0.883,110 0.883,111 0.883,112 3.011,113 1.077,114 -3.22,115 -3.21,116 -3.09,121 37.8,123 1,124 1,126 2,127 2,129 1,144 3,145 1,146 2,161 1,176 3,179 1,180 5,183 2,187 7,192 2,200 5,206 7,211 2,214 4,219 1,224 1,227 2,231 1,232 3,237 2,244 1,255 1,256 1,259 1,261 1,269 1,274 1,281 363,282 12.886,283 12.886,284 12.886,285 12.886,286 12.886,287 12.032,288 18.001,289 7.436,290 13.357,291 10.293,292 10.293,293 10.293,294 10.293,295 10.293,296 8.866,297 20.751,298 3.454,299 10.988,300 3.577,301 1.752,302 0.71,303 0.419,304 0.419,305 0.419,306 3.689,310 1,311 1,312 1,313 322,314 2.828,317 34.026,318 70.247,321 56.449,322 60.141,325 1.446,326 13.416,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 41,338 149,339 4.436,340 4.465,341 6.889,342 4.206,343 3.245,344 3.986,345 2.95,346 11.509,347 3.119,348 3.926,349 3.658,350 5.908,351 3.631,352 2.689,353 3.161,354 2.186,355 8.311,356 2.528,357 3.626,358 3.317,359 5.393,360 3.301,361 2.366,362 2.777,363 0.916,364 6.969,365 2.194,366 3.274,367 2.955,368 4.991,369 2.882,370 1.94,371 2.459,372 0.366,373 5.561,374 1.842,375 3.004,376 2.526,377 4.743,378 2.847,379 1.898,380 2.097,381 0.172,382 5.146,383 1.753,384 2.773,385 2.085,386 4.508,387 2.485,388 1.558,389 1.805,391 4.333,392 1.425,393 2.071,394 1.611,395 3.729,396 1.902,397 0.924,398 1.027,400 2.364,401 0.901,402 1.811,403 1.121,404 3.256,405 1.598,406 0.713,407 0.773,409 1.671,410 0.614,411 1.509,412 1.062,413 2.932,414 1.306,415 0.395,416 0.419,418 0.608,419 0.355,420 1.234,421 0.682,422 2.491,423 0.845,424 -0.113,425 -0.137,427 -0.248,428 -0.106,429 0.75,430 0.542,431 2.407,432 0.472,433 -0.463,434 -0.514,436 -1.212,437 -0.426,438 0.662,439 0.018,440 2.241,441 0.333,442 -0.599,443 -0.697,445 -1.608,446 -0.536,447 0.403,448 -0.386,449 2,450 0.035,451 -0.946,452 -1.135,454 -2.494,455 -0.916,456 -0.023,457 -0.817,458 1.852,459 -0.209,460 -1.152,461 -1.381,463 -3.072,464 -1.085,465 -0.189,466 -0.939,467 1.481,468 -0.416,469 -1.38,470 -1.692,472 -3.33,473 -1.321,474 9.3,475 0.489,476 0.486,477 0.026,478 21,479 1.105,480 8.5,481 0.447,482 12.5,483 0.658,484 16.501,485 0.868,486 21.3,487 0.576,488 12.841,489 0.676,490 3.801,491 0.2,492 5.385,493 0.283,494 0.143,496 0.366,501 0.787,502 1.332,503 0.762,504 1.019,505 0.565,506 0.992,507 0.687,508 0.844,509 0.98,510 0.878,511 0.388,512 0.852,513 0.925,514 1.077,515 1.031,516 1.077,517 0.663,518 1.074,519 1.014,520 1.06,521 1.139,522 1.134,523 0.937,524 1.032,525 0.748,526 1.089,527 1.06,528 1.132,529 0.858,530 1.122,531 0.841,532 1.139,533 1.128,534 1.261,535 0.895,536 1.178,537 0.849,538 0.985,539 0.686,540 0.885,541 0.747,542 0.813,543 2.971,544 0.775,545 1.806,546 1.014,547 2.853,548 0.986,549 4,550 0.02,551 2.222,552 1.535,553 1.138,554 0.459,555 0.389,556 0.159,557 0.17,558 0.085,559 3110,560 7942,561 2.081,562 48.6,564 14,567 1,569 2,570 1,572 1.602,573 1.932,574 2.96,575 -0.249,577 1,579 1,582 60.388,583 1.632,584 3.458,585 4.5,586 4.79,587 4.79,588 4.79,589 2.55,590 4.037,591 4.216,592 3.098,593 529.707,594 7.18,595 5054.92,596 1,597 1,599 1,600 192.75,601 1.462,602 4.171,603 0.19,604 0.007,605 0.074,606 0.051,607 0.044,608 0.023,609 0.03,610 0.014,611 0.019,612 0.011,613 0.463,614 0.67,615 1,616 1.315,617 81.388,618 -0.027,619 -0.148,620 0.082,621 -0.003,622 -0.011,623 0.013,624 0.234,625 0.301,626 0.035,627 0.16,628 0.236,629 0.126,630 -0.084,631 -0.047,632 -0.042,633 -0.024,634 0.017,635 -0.062,636 -0.07,637 -0.075,638 -0.033,639 -0.054,640 -0.026,641 -0.029,642 -0.031,643 -0.119,644 -0.088,645 -0.125,646 -0.027,647 -0.118,648 0.083,649 -0.222,650 -0.07,651 -0.232,652 -0.058,653 -0.182,654 0.112,655 -0.149,656 0.242,657 0.016,658 0.057,659 0.157,660 -0.472,661 0.253,662 -0.546,663 -0.012,664 -0.461,665 -0.158,666 2.086,667 4.236,668 0.684,669 13.501,670 1,671 1.126,672 1.994,673 3.978,674 0.666,675 3.091,676 3.434,677 3.738,678 4.043,679 4.263,680 4.344,681 4.533,682 4.663,683 4.654,684 4.5,685 4.75,686 0.618,687 278.41,688 3.091,689 4.635,690 5.501,691 6.399,692 7.287,693 8.192,694 9.089,695 9.998,696 10.901,697 11.811,698 5.4,701 1,705 1,715 3,720 3,722 6,737 1,741 37,743 7,744 1,745 21,747 39,748 14,749 6,750 3,751 3,756 3,757 6,767 2,768 1,770 2,772 7,773 7,774 1,777 1,782 1,786 1,789 1,790 1,793 18,794 4,795 1,796 5,797 1,802 2,808 0.333,809 2,825 1,828 1,829 2,832 1,833 1,855 1,859 1,860 1,862 1,864 2,868 19,876 3,877 1,878 1,879 1,880 2,881 1,893 5.4,896 1,898 1,901 9.833,902 7.117,903 4.194,904 2.214,907 1.327,908 1.195,909 0.96,910 3.629,911 8.142,912 3.258,913 3.773,914 4.252,915 4.774,916 5.261,917 5.473,918 5.809,919 6.077,920 6.153,921 6.015,922 1,923 30,924 7.04,926 2.983,927 0.026,929 7.64,931 13.806,933 11.715,936 2.14,937 40.667,938 0.002,941 200.109,942 99.723,943 21.135,945 36.145,947 32.22,948 67.504,949 236.254,950 21.135,951 16.793,952 23.551,953 28.429,954 25.145,955 24.104,956 6.763,957 232.328,959 200.109,960 88.639,961 36.145,962 32.22,964 164.795,965 71.458,968 26.675,969 61.964,971 32.22,972 200.109,973 57.28,974 99.723,977 200.109,978 54.502,979 48.346,980 18.011,981 36.145,982 200.109,983 57.28,984 99.723,986 0.584,987 0.349,988 0.189,989 0.102,990 16,991 7,992 0.051,993 2,994 2,995 1.308,996 3.111,997 143.959,998 0.308,999 13,1000 80.711,1001 1,1005 13.129,1006 5.252,1007 2.435,1009 57.28,1010 5.986,1015 3.242,1017 18.011,1018 357.112,1019 25,1024 11.236,1028 -0.42,1031 37.003,1032 41.657,1034 0.313,1035 0.664,1036 0.864,1037 0.92,1038 0.92,1039 0.92,1040 4.527,1041 0.713,1042 5.501,1043 2.364,1044 4.111,1045 4.454,1046 3.348,1047 6.347,1048 3.99,1049 5.698,1050 0.395,1051 7.081,1052 1.671,1053 3.761,1054 4.27,1055 1.847,1056 7.326,1057 3.61,1058 6.997,1059 -0.113,1060 8.76,1061 0.608,1062 5.733,1063 6.493,1064 5.222,1065 10.454,1066 5.514,1067 8.326,1068 -0.463,1069 10.498,1070 -0.248,1071 6.196,1072 7.087,1073 3.603,1074 12.296,1075 5.95,1076 9.687,1077 -0.599,1078 12.276,1079 -1.212,1080 7.656,1081 8.846,1082 7.282,1083 14.961,1084 7.358,1085 11.069,1086 -0.946,1087 14.083,1088 -1.608,1089 8.5,1090 9.806,1091 5.291,1092 17.165,1093 8.174,1094 12.468,1095 -1.152,1096 15.913,1097 -2.494,1098 9.765,1099 11.378,1100 9.398,1101 19.678,1102 9.398,1103 3.245,1104 -1.38,1105 17.761,1106 -3.072,1107 10.788,1108 12.527,1109 6.93,1110 22.027,1111 10.388,1112 2.689,1113 11.509,1114 19.623,1115 -3.33,1116 11.983,1117 14.011,1118 11.538,1119 24.491,1120 11.547,1121 2.366,1122 8.311,1123 21.498,1124 3.986,1125 13.086,1126 15.262,1127 8.539,1128 26.897,1129 12.615,1130 1.94,1131 6.969,1132 23.383,1133 3.161,1134 14.258,1135 16.7,1136 13.689,1137 29.346,1138 13.752,1139 1.898,1140 5.561,1141 25.275,1142 2.777,1143 15.398,1144 18.008,1145 10.13,1146 31.773,1147 14.855,1148 1.558,1149 5.146,1150 27.174,1151 2.459,1152 16.566,1153 19.421,1154 15.846,1155 34.217,1156 15.987,1157 0.924,1158 4.333,1159 29.079,1160 2.097,1161 17.722,1162 20.761,1163 11.71,1164 36.654,1165 17.107,1166 3095,1167 5041,1168 13.929,1169 24.659,1170 31.517,1171 34.867,1172 33.268,1173 31.427,1174 31.456,1175 37.007,1176 13.183,1177 92.945,1178 29.461,1179 5.39,1180 6.465,1181 6.44,1182 5.349,1183 5.245,1184 6.986,1185 5.9,1186 18.794,1187 5.119,1188 9.188,1189 1.501,1190 1.66,1191 1.584,1192 1.497,1193 1.498,1194 1.762,1195 0.628,1196 4.426,1197 1.403,1198 4.031,1199 4.061,1200 4.112,1201 3.981,1202 7.435,1203 3.957,1204 3.731,1205 3.771,1206 3.645,1207 3.596,1208 4.802,1209 3.597,1210 3.514,1211 3.579,1212 3.504,1213 3.217,1214 4.399,1215 3.252,1216 3.26,1217 3.342,1218 3.371,1219 3.149,1220 4.218,1221 3.08,1222 3.056,1223 3.126,1224 2.887,1225 2.876,1226 3.98,1227 2.856,1228 2.974,1229 3.034,1230 2.844,1231 2.812,1232 3.816,1233 2.781,1234 2.834,1235 2.886,1236 2.67,1237 2.617,1238 3.623,1239 2.619,1240 2.699,1241 2.774,1242 2.506,1243 2.522,1244 3.353,1245 2.515,1246 0.211,1247 0.213,1248 0.328,1249 0.2,1250 0.155,1251 4.436,1252 0.19,1253 4.465,1254 0.14,1255 6.889,1256 0.548,1257 4.206,1258 0.149,1259 3.245,1260 3.986,1261 2.95,1262 11.509,1263 3.119,1264 1.945,1265 1.93,1266 2.014,1267 2.015,1268 1.39,1269 2.029,1270 1.605,1271 1.554,1272 1.841,1273 1.783,1274 1.125,1275 1.809,1276 1.493,1277 1.423,1278 1.72,1279 1.771,1280 0.888,1281 1.75,1282 1.383,1283 1.303,1284 1.677,1285 1.65,1286 0.68,1287 1.666,1288 1.036,1289 0.969,1290 1.396,1291 1.268,1292 0.6,1293 1.326,1294 0.942,1295 0.886,1296 1.178,1297 1.205,1298 0.424,1299 1.195,1300 0.806,1301 0.756,1302 1.05,1303 1.048,1304 0.163,1305 1.085,1306 0.697,1307 0.623,1308 1.008,1309 0.917,1310 0.1,1311 0.968,1312 3.761,1314 5.094,1315 2.398,1316 6.629,1317 4.727,1318 8.264,1319 6.823,1320 9.957,1322 3.757,1328 3.612,1329 2.461,1330 5.191,1331 1.878,1332 1.29,1333 2.433,1340 22.874,1341 60.388,1342 127.937,1343 166.485,1344 177.24,1345 177.24,1346 177.24,1347 24.277,1348 6.815,1349 41.57,1350 66.87,1351 17,1352 12.328,1353 3,1354 2.322,1355 27.856,1356 55,1357 58,1358 0.268,1359 143.885,1360 250.31,1361 342.841,1362 7053,1364 13.405,1365 0.706,1366 0.631,1367 13.759,1368 11.997,1369 9.186,1370 0.437,1371 0.359,1372 6.539,1373 8.339,1374 6.236,1375 5.165,1376 9.64,1377 7.539,1378 8.322,1379 0.277,1380 0.206,1381 8.872,1382 6.186,1383 7.179,1384 0.175,1385 0.127,1386 7.868,1387 5.205,1388 6.036,1389 0.108,1390 0.077,1391 6.84,1392 4.292,1393 4.926,1394 0.07,1395 0.049,1396 5.855,1397 3.431,1398 0.406,1399 62.267,1400 0.268,1401 18.731,1402 0.771,1403 102,1404 284.309,1405 134.505,1406 289.238,1407 393.17,1408 272,1409 122,1410 272.487,1411 151.356,1412 286.523,1413 423.04,1414 268,1415 8.091}
{0 CHEMBL1243359,1 1.464,2 7.842,3 2.591,4 6.712,5 74.228,6 6.676,7 0.286,8 3.756,9 3.883,10 3.24,11 3.257,12 4.731,13 3.224,14 4.358,15 4.555,16 3.618,17 3.7,18 5.327,19 3.635,20 4.623,21 4.84,22 3.644,23 3.89,24 5.463,25 3.779,26 4.72,27 4.969,28 3.545,29 3.867,30 5.563,31 3.728,32 4.612,33 4.88,34 3.326,35 3.71,36 5.438,37 3.55,38 4.415,39 4.693,40 2.998,41 3.436,42 5.219,43 3.246,44 4.154,45 4.462,46 2.803,47 3.024,48 4.953,49 2.881,50 3.736,51 3.943,52 2.624,53 2.715,54 4.809,55 2.661,56 0.023,57 0.564,58 9.223,59 3.713,60 5.718,61 5.211,62 0.341,63 0.932,64 17.869,65 6.285,66 28.774,67 9.166,68 0.17,69 1.136,70 23.121,71 8.888,72 23.293,73 12.586,74 0.251,75 1.172,76 26.002,77 9.265,78 34.648,79 13.437,80 0.221,81 1.028,82 23.389,83 8.131,84 29.335,85 12.021,86 0.223,87 0.794,88 19.34,89 6.751,90 24.569,91 9.916,92 0.169,93 0.562,94 15.24,95 4.526,96 21.581,97 6.903,98 0.305,99 0.388,100 10.394,101 2.55,102 24.918,103 3.566,104 13,105 30,106 0.267,107 0.591,108 0.812,109 0.881,110 0.881,111 0.881,112 3.011,113 0.988,114 -3.21,115 -3.2,116 -3.08,121 38.5,123 3,124 1,126 2,127 1,129 1,144 3,145 2,146 1,161 1,176 8,179 1,180 5,183 2,187 10,192 5,200 9,206 7,211 2,214 6,219 3,224 2,227 3,231 1,232 3,237 2,244 2,249 1,255 1,256 1,259 1,261 1,269 1,274 1,281 363,282 12.886,283 12.886,284 12.886,285 12.886,286 12.886,287 12.032,288 18.431,289 7.436,290 13.183,291 10.293,292 10.293,293 10.293,294 10.293,295 10.293,296 8.866,297 21.212,298 3.454,299 10.705,300 3.822,301 2.039,302 0.827,303 0.449,304 0.449,305 0.449,306 3.689,310 1,311 1,312 1,313 322,314 2.828,317 34.026,318 70.247,321 56.449,322 60.141,325 1.446,326 13.496,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 41,338 149,339 4.436,340 3.663,341 6.889,342 4.224,343 3.245,344 3.986,345 2.186,346 11.509,347 3.179,348 3.926,349 3.508,350 5.908,351 3.643,352 2.689,353 3.161,354 0.916,355 8.311,356 2.57,357 3.626,358 2.83,359 5.393,360 3.317,361 2.366,362 2.777,363 0.366,364 6.969,365 2.221,366 3.274,367 2.424,368 4.991,369 2.906,370 1.94,371 2.459,372 0.172,373 5.561,374 1.87,375 3.004,376 2.042,377 4.743,378 2.879,379 1.898,380 2.097,382 5.146,383 1.848,384 2.773,385 1.854,386 4.508,387 2.533,388 1.558,389 1.805,391 4.333,392 1.513,393 2.071,394 1.119,395 3.729,396 1.902,397 0.924,398 1.027,400 2.364,401 0.901,402 1.811,403 1.061,404 3.256,405 1.704,406 0.713,407 0.773,409 1.671,410 0.706,411 1.509,412 0.781,413 2.932,414 1.309,415 0.395,416 0.419,418 0.608,419 0.357,420 1.234,421 0.653,422 2.491,423 0.868,424 -0.113,425 -0.137,427 -0.248,428 -0.109,429 0.75,430 -0.094,431 2.407,432 0.512,433 -0.463,434 -0.514,436 -1.212,437 -0.448,438 0.662,439 -0.266,440 2.241,441 0.387,442 -0.599,443 -0.697,445 -1.608,446 -0.586,447 0.403,448 -0.505,449 2,450 0.037,451 -0.946,452 -1.135,454 -2.494,455 -0.918,456 -0.023,457 -0.851,458 1.852,459 -0.182,460 -1.152,461 -1.381,463 -3.072,464 -1.115,465 -0.189,466 -1.028,467 1.481,468 -0.407,469 -1.38,470 -1.692,472 -3.33,473 -1.356,474 8.967,475 0.472,476 0.486,477 0.026,478 20.5,479 1.079,480 8,481 0.421,482 12.5,483 0.658,484 16.371,485 0.862,486 21.633,487 0.555,488 12.971,489 0.683,490 3.843,491 0.202,492 5.343,493 0.281,494 0.149,496 0.379,501 0.783,502 1.46,503 0.87,504 1.234,505 0.564,506 1.084,507 0.652,508 0.902,509 0.896,510 0.891,511 0.38,512 0.907,513 0.862,514 1.126,515 1.008,516 1.146,517 0.632,518 1.109,519 0.966,520 1.065,521 1.023,522 1.066,523 0.885,524 1.061,525 0.862,526 1.025,527 1.025,528 1.068,529 0.824,530 1.069,531 0.804,532 1.075,533 1.02,534 1.146,535 0.852,536 1.129,537 1.088,538 0.885,539 0.748,540 0.825,541 1.198,542 0.751,543 2.749,544 0.719,545 1.521,546 0.733,547 2.665,548 0.937,549 4,550 0.02,551 2.222,552 1.535,553 1.138,554 0.459,555 0.389,556 0.159,557 0.17,558 0.085,559 3110,560 7070,561 2.081,562 51.3,563 4,564 12,567 1,569 3,572 1.602,573 1.932,574 2.96,575 -0.301,577 1,579 1,582 57.089,583 1.464,584 3.247,585 4.458,586 4.836,587 4.836,588 4.836,589 2.55,590 4.037,591 4.216,592 3.098,593 529.707,594 7.18,595 5054.92,596 1,597 1,599 1,600 206.131,601 1.462,602 4.171,603 0.19,604 0.007,605 0.074,606 0.051,607 0.044,608 0.023,609 0.03,610 0.014,611 0.019,612 0.011,613 0.463,614 0.83,615 1,616 1.315,617 81.388,618 -0.013,619 -0.187,620 0.07,621 -0.07,622 -0.002,624 0.26,625 0.266,626 0.075,627 0.151,628 0.237,629 0.102,630 -0.057,631 -0.079,632 -0.067,633 -0.081,634 0.025,635 -0.077,636 -0.079,637 -0.092,638 -0.067,639 -0.06,640 -0.018,641 -0.064,642 -0.057,643 -0.067,644 -0.076,645 -0.088,646 -0.028,647 -0.083,648 0.059,649 -0.179,650 -0.067,651 -0.176,652 -0.058,653 -0.149,654 0.032,655 -0.062,656 0.256,657 0.057,658 -0.032,659 0.173,660 -0.333,661 0.25,662 -0.358,663 0.112,664 -0.382,665 -0.11,666 2.077,667 4.242,668 0.684,669 13.501,670 0.995,671 1.132,672 1.983,673 3.93,674 0.635,675 3.091,676 3.434,677 3.738,678 4.043,679 4.263,680 4.344,681 4.533,682 4.663,683 4.654,684 4.5,685 4.75,686 0.595,687 260.37,688 3.091,689 4.635,690 5.501,691 6.399,692 7.287,693 8.192,694 9.089,695 9.998,696 10.901,697 11.811,698 5.1,701 1,705 1,715 3,720 3,722 6,737 1,741 39,743 7,744 1,745 21,747 41,748 15,749 6,750 3,751 3,756 3,757 6,767 4,768 1,770 4,772 7,773 8,774 1,777 1,782 1,786 1,789 1,790 1,793 20,794 4,795 1,796 4,802 2,808 0.333,809 2,825 1,828 1,829 2,832 1,833 1,855 1,859 1,864 2,868 19,876 4,877 1,878 1,880 2,881 1,893 5.1,896 1,898 1,901 9.833,902 7.45,903 4.194,904 2.464,907 1.327,908 1.195,909 0.957,910 3.397,911 8.142,912 3.258,913 3.773,914 4.252,915 4.774,916 5.261,917 5.473,918 5.809,919 6.077,920 6.153,921 6.015,922 1,923 30,924 7.049,926 2.988,927 0.026,929 7.623,931 13.884,933 11.839,936 2.123,937 40.333,938 0.002,941 223.651,942 73.308,943 21.135,945 36.145,948 73.308,949 259.796,950 21.135,951 16.793,952 27.72,953 28.429,954 25.145,955 25.739,956 6.763,957 223.651,959 223.651,960 94.443,961 36.145,964 188.338,965 71.458,968 30.844,969 63.599,972 223.651,973 57.28,974 73.308,977 223.651,978 28.086,979 48.346,980 18.011,981 36.145,982 223.651,983 57.28,984 73.308,986 0.584,987 0.349,988 0.189,989 0.102,990 16,991 7,992 0.049,993 2,994 2,995 1.308,996 3.111,997 143.959,998 0.308,999 13,1000 80.711,1005 12.795,1006 5.044,1007 2.316,1009 57.28,1010 6.057,1015 3.383,1017 18.011,1018 354.239,1019 25,1024 11.242,1028 -0.411,1031 38.811,1032 44.152,1034 0.277,1035 0.614,1036 0.843,1037 0.915,1038 0.915,1039 0.915,1040 4.527,1041 0.713,1042 5.501,1043 2.364,1044 4.111,1045 4.454,1046 2.401,1047 6.347,1048 4.041,1049 5.698,1050 0.395,1051 7.081,1052 1.671,1053 3.761,1054 4.27,1055 1.847,1056 7.326,1057 3.657,1058 6.997,1059 -0.113,1060 8.76,1061 0.608,1062 5.733,1063 6.493,1064 3.519,1065 10.454,1066 5.603,1067 8.326,1068 -0.463,1069 10.498,1070 -0.248,1071 6.196,1072 7.087,1073 3.603,1074 12.296,1075 6.037,1076 9.687,1077 -0.599,1078 12.276,1079 -1.212,1080 7.656,1081 8.846,1082 4.91,1083 14.961,1084 7.479,1085 11.069,1086 -0.946,1087 14.083,1088 -1.608,1089 8.5,1090 9.806,1091 5.291,1092 17.165,1093 8.301,1094 12.468,1095 -1.152,1096 15.913,1097 -2.494,1098 9.765,1099 11.378,1100 6.388,1101 19.678,1102 9.552,1103 3.245,1104 -1.38,1105 17.761,1106 -3.072,1107 10.788,1108 12.527,1109 6.93,1110 22.027,1111 10.555,1112 2.689,1113 11.509,1114 19.623,1115 -3.33,1116 11.983,1117 14.011,1118 7.902,1119 24.491,1120 11.737,1121 2.366,1122 8.311,1123 21.498,1124 3.986,1125 13.086,1126 15.262,1127 8.539,1128 26.897,1129 12.822,1130 1.94,1131 6.969,1132 23.383,1133 3.161,1134 14.258,1135 16.7,1136 9.436,1137 29.346,1138 13.98,1139 1.898,1140 5.561,1141 25.275,1142 2.777,1143 15.398,1144 18.008,1145 10.13,1146 31.773,1147 15.102,1148 1.558,1149 5.146,1150 27.174,1151 2.459,1152 16.566,1153 19.421,1154 10.981,1155 34.217,1156 16.254,1157 0.924,1158 4.333,1159 29.079,1160 2.097,1161 17.722,1162 20.761,1163 11.71,1164 36.654,1165 17.393,1166 3095,1167 4757,1168 13.929,1169 24.773,1170 31.517,1171 32.747,1172 33.268,1173 31.435,1174 31.456,1175 37.007,1176 7.283,1177 92.945,1178 30.331,1179 5.39,1180 5.663,1181 6.44,1182 5.27,1183 5.245,1184 6.986,1185 3.889,1186 18.794,1187 5.179,1188 9.188,1189 1.501,1190 1.559,1191 1.584,1192 1.497,1193 1.498,1194 1.762,1195 0.347,1196 4.426,1197 1.444,1198 4.062,1199 4.098,1200 3.994,1201 3.984,1202 7.435,1203 3.981,1204 3.732,1205 3.773,1206 3.645,1207 3.596,1208 4.808,1209 3.597,1210 3.522,1211 3.587,1212 3.428,1213 3.23,1214 4.406,1215 3.262,1216 3.361,1217 3.442,1218 3.187,1219 3.177,1220 4.219,1221 3.177,1222 3.088,1223 3.186,1224 2.88,1225 2.883,1226 3.998,1227 2.866,1228 3.009,1229 3.059,1230 2.812,1231 2.821,1232 3.866,1233 2.81,1234 2.852,1235 2.915,1236 2.669,1237 2.618,1238 3.646,1239 2.621,1240 2.699,1241 2.775,1242 2.504,1243 2.526,1244 3.372,1245 2.518,1246 0.211,1247 0.174,1248 0.328,1249 0.201,1250 0.155,1251 4.436,1252 0.19,1253 3.663,1254 0.104,1255 6.889,1256 0.548,1257 4.224,1258 0.151,1259 3.245,1260 3.986,1261 2.186,1262 11.509,1263 3.179,1264 1.991,1265 1.967,1266 2.11,1267 2.078,1268 1.467,1269 2.089,1270 1.619,1271 1.569,1272 1.846,1273 1.801,1274 1.13,1275 1.819,1276 1.495,1277 1.425,1278 1.726,1279 1.774,1280 0.889,1281 1.754,1282 1.383,1283 1.303,1284 1.678,1285 1.652,1286 0.8,1287 1.667,1288 1.211,1289 1.137,1290 1.533,1291 1.412,1292 0.68,1293 1.458,1294 0.958,1295 0.888,1296 1.304,1297 1.232,1298 0.489,1299 1.24,1300 0.827,1301 0.766,1302 1.068,1303 1.14,1304 0.234,1305 1.146,1306 0.71,1307 0.633,1308 1.048,1309 0.92,1310 0.132,1311 0.97,1312 3.761,1314 5.094,1315 2.398,1316 6.629,1317 4.727,1318 8.264,1319 6.823,1320 9.957,1322 3.771,1328 4.823,1329 2.468,1330 5.204,1332 1.348,1333 2.446,1340 23.214,1341 57.089,1342 126.621,1343 173.866,1344 188.621,1345 188.621,1346 188.621,1347 24.576,1348 6.815,1349 41.57,1350 41.57,1351 17,1352 12.328,1353 3,1354 2.322,1355 27.856,1356 55,1357 58,1358 0.268,1359 142.347,1360 249.1,1361 339.086,1362 7053,1364 13.405,1365 0.706,1366 0.604,1367 13.405,1368 11.479,1369 9.186,1370 0.437,1371 0.329,1372 6.813,1373 8.805,1374 6.604,1375 5.48,1376 9.186,1377 6.914,1378 8.322,1379 0.277,1380 0.184,1381 8.322,1382 5.513,1383 7.179,1384 0.175,1385 0.107,1386 7.179,1387 4.406,1388 6.036,1389 0.108,1390 0.062,1391 6.036,1392 3.469,1393 4.926,1394 0.07,1395 0.037,1396 4.926,1397 2.56,1398 0.406,1399 57.726,1400 0.268,1401 18.731,1402 0.771,1403 102,1404 269.449,1405 112.222,1406 255.701,1407 350.13,1408 240,1409 122,1410 258.43,1411 131.312,1412 260.459,1413 383.16,1414 244,1415 7.762}
{0 CHEMBL1243360,1 1.572,2 8.5,3 2.271,4 5.157,5 83.609,6 7.247,7 0.261,8 3.823,9 3.935,10 3.356,11 3.262,12 4.956,13 3.262,14 4.365,15 4.556,16 3.701,17 3.61,18 5.527,19 3.598,20 4.5,21 4.655,22 3.806,23 3.775,24 5.646,25 3.752,26 4.692,27 4.875,28 3.757,29 3.771,30 5.886,31 3.744,32 4.52,33 4.689,34 3.718,35 3.739,36 5.683,37 3.697,38 4.64,39 4.849,40 3.637,41 3.69,42 5.825,43 3.627,44 4.527,45 4.761,46 3.435,47 3.609,48 5.567,49 3.508,50 4.514,51 4.781,52 3.167,53 3.461,54 5.66,55 3.311,56 0.048,57 0.579,58 8.923,59 3.738,60 6.243,61 4.96,62 0.546,63 0.869,64 17.895,65 5.582,66 36.977,67 7.896,68 0.221,69 0.994,70 19.337,71 7.371,72 24.913,73 9.691,74 0.801,75 1.035,76 26.306,77 7.644,78 79.49,79 9.963,80 0.253,81 0.988,82 20.071,83 7.326,84 35.634,85 9.823,86 0.747,87 1.002,88 24.841,89 7.364,90 68.797,91 10.226,92 0.311,93 0.935,94 21.474,95 7.022,96 38.426,97 10.196,98 0.717,99 0.84,100 22.76,101 6.386,102 83.298,103 9.63,104 49,105 32,106 0.28,107 0.606,108 0.774,109 0.829,110 0.829,111 0.829,112 3.147,113 0.92,114 -2.81,115 -2.82,116 -2.74,121 38.1,122 1,123 1,126 3,127 1,138 1,139 1,144 3,145 1,146 2,160 1,161 1,176 4,179 4,180 8,187 4,192 6,200 3,205 3,206 10,214 4,219 4,227 2,231 4,232 9,239 1,244 2,255 4,256 1,264 2,277 1,281 660,282 14.353,283 14.353,284 14.353,285 14.353,286 14.353,287 13.172,288 20.686,289 8.44,290 14.858,291 11.266,292 11.266,293 11.266,294 11.266,295 11.266,296 9.246,297 26.014,298 3.882,299 11.926,300 3.82,301 1.988,302 1.049,303 0.739,304 0.739,305 0.739,306 3.802,310 1,311 1,312 1,313 375,314 3.808,318 110.436,322 94.832,325 1.273,326 26.378,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 49,338 187,339 4.491,340 3.779,341 6.705,342 4.145,343 3.177,344 4.101,345 2.208,346 10.879,347 3.077,348 4.055,349 3.707,350 5.993,351 3.682,352 2.725,353 3.423,354 1.674,355 8.476,356 2.616,357 3.852,358 3.307,359 5.819,360 3.548,361 2.593,362 3.056,363 0.8,364 7.803,365 2.432,366 3.484,367 2.669,368 5.546,369 3.202,370 2.267,371 2.679,372 0.68,373 6.872,374 2.112,375 3.002,376 2.22,377 4.51,378 2.579,379 1.618,380 2.123,381 0.655,382 4.232,383 1.549,384 2.839,385 1.996,386 4.317,387 2.424,388 1.481,389 1.899,390 0.13,391 4.078,392 1.39,393 2.524,394 1.814,395 3.741,396 2.261,397 1.312,398 1.512,400 2.934,401 1.231,402 2.291,403 1.776,404 3.529,405 1.967,406 1.008,407 1.182,409 2.315,410 0.95,411 2.063,412 1.4,413 2.993,414 1.79,415 0.798,416 0.933,418 1.36,419 0.777,420 1.435,421 0.775,422 2.691,423 1.056,424 0.085,425 0.105,427 0.208,428 0.081,429 0.965,430 0.325,431 2.552,432 0.573,433 -0.396,434 -0.488,436 -0.873,437 -0.378,438 0.768,439 0.162,440 2.349,441 0.427,442 -0.526,443 -0.59,445 -1.002,446 -0.498,447 0.658,448 -0.199,449 2.111,450 0.382,451 -0.618,452 -0.753,454 -1.603,455 -0.609,456 0.502,457 -0.409,458 1.787,459 0.065,460 -0.922,461 -1,463 -2,464 -0.895,465 0.073,466 -0.6,467 1.541,468 -0.1,469 -1,470 -1.175,472 -2.283,473 -0.9,474 10.133,475 0.461,476 0.651,477 0.03,478 26,479 1.182,480 11.5,481 0.523,482 14.5,483 0.659,484 17.692,485 0.804,486 25.267,487 0.602,488 20.712,489 0.941,490 5.494,491 0.25,492 4.941,493 0.225,494 0.263,496 0.375,501 0.76,502 1.665,503 0.787,504 1.381,505 0.578,506 1.132,507 0.764,508 0.738,509 0.752,510 0.679,511 0.474,512 0.682,513 1.007,514 1.345,515 0.913,516 1.289,517 0.77,518 1.115,519 1.709,520 0.785,521 1.213,522 0.778,523 1.769,524 0.881,525 1.028,526 1.382,527 1.022,528 1.345,529 1.144,530 1.21,531 1.171,532 0.925,533 1.103,534 0.943,535 1.249,536 1,537 0.855,538 1.238,539 1.011,540 1.209,541 0.895,542 1.152,543 0.823,544 0.742,545 1.105,546 0.86,547 0.864,548 1.007,549 5,550 0.033,551 3.111,552 1.438,553 1.538,554 0.951,555 0.552,556 0.436,557 0.197,558 0.076,559 4017,560 12037,561 1.919,562 47.6,563 2,564 14,565 1,569 3,572 1.652,573 1.737,574 3.089,575 -0.717,576 1,577 1,579 1,582 66.039,583 1.572,584 3.404,585 4.344,586 4.654,587 4.654,588 4.654,589 2.504,590 3.914,591 4.427,592 3.193,593 737.514,594 7.642,595 7985.97,596 1,597 1,599 1,600 226.477,601 1.573,602 4.349,603 0.217,604 0.008,605 0.097,606 0.041,607 0.048,608 0.031,609 0.02,610 0.02,611 0.013,612 0.009,613 0.506,614 0.5,615 1,616 1.657,617 99.69,618 -0.026,619 -0.402,620 0.063,621 -0.223,622 -0.051,623 -0.089,624 0.216,625 0.393,626 0.21,627 0.308,628 0.183,629 0.277,630 -0.074,631 -0.247,632 0.003,633 -0.197,634 -0.004,635 -0.097,636 -0.251,637 0.187,638 -0.171,639 0.175,640 -0.274,641 0.036,642 -0.095,643 -0.307,644 -0.098,645 -0.281,646 -0.075,647 -0.204,648 0.017,649 0.054,650 -0.094,651 0.006,652 -0.049,653 -0.06,654 -0.054,655 -0.249,656 -0.067,657 -0.219,658 -0.007,659 -0.156,660 0.133,661 0.185,662 -0.103,663 0.041,664 0.161,665 -0.06,666 2.122,667 4.962,668 0.455,669 17.091,670 1.011,671 1.133,672 1.584,673 2.509,674 0.635,675 3.178,676 3.497,677 3.738,678 3.951,679 4.22,680 4.304,681 4.419,682 4.407,683 4.382,684 4.143,685 5.119,686 0.611,687 304.38,688 3.178,689 4.71,690 5.549,691 6.425,692 7.295,693 8.179,694 9.062,695 9.951,696 10.84,697 11.731,698 4.8,704 1,705 1,715 3,720 3,722 6,736 1,737 1,741 42,743 9,744 1,745 23,747 43,748 16,749 6,750 3,751 3,752 3,756 2,757 3,763 1,767 1,770 1,772 10,773 6,777 3,782 2,784 1,786 3,789 1,790 1,793 20,794 6,796 6,802 2,808 0.5,809 4,829 2,833 1,846 1,850 1,859 1,864 4,868 22,876 2,878 2,881 2,893 9.5,896 2,898 2,901 12.667,902 8.9,903 4.972,904 2.468,907 1.791,908 1.271,909 0.916,910 5.216,911 8.4,912 3.401,913 3.922,914 4.416,915 4.87,916 5.406,917 5.65,918 5.984,919 6.238,920 6.44,921 6.358,922 0.833,923 35,924 8.136,926 3.319,927 0.026,929 7.955,931 15.177,933 11.645,936 2.455,937 54,941 235.422,942 106.943,943 6.249,945 72.29,948 106.943,949 307.712,950 6.249,951 34.014,952 19.299,953 28.429,954 57.481,955 39.495,956 18.534,957 223.651,959 235.422,960 113.191,961 72.29,964 200.109,965 107.603,968 19.076,969 94.115,972 235.422,973 78.538,974 106.943,977 235.422,978 35.452,979 77.739,981 72.29,982 235.422,983 78.538,984 106.943,986 0.58,987 0.339,988 0.169,989 0.098,990 14,991 8,992 0.116,993 5,994 1,995 1.2,996 3.219,997 167.591,998 0.2,999 10,1000 96.107,1005 16.525,1006 6.944,1007 3.689,1009 78.538,1010 5.458,1015 2.154,1018 420.903,1019 29,1024 23.743,1026 1.748,1028 -0.276,1031 42.465,1032 47.571,1034 0.292,1035 0.631,1036 0.806,1037 0.863,1038 0.863,1039 0.863,1040 4.649,1041 1.008,1042 5.557,1043 2.934,1044 4.174,1045 4.605,1046 2.872,1047 6.382,1048 4.076,1049 5.85,1050 0.798,1051 7.138,1052 2.315,1053 3.892,1054 4.494,1055 1.905,1056 7.338,1057 3.759,1058 7.159,1059 0.085,1060 8.82,1061 1.36,1062 5.784,1063 6.703,1064 3.925,1065 10.428,1066 5.601,1067 8.502,1068 -0.396,1069 10.558,1070 0.208,1071 6.275,1072 7.368,1073 3.664,1074 12.174,1075 6.062,1076 9.876,1077 -0.526,1078 12.33,1079 -0.873,1080 7.688,1081 9.113,1082 5.228,1083 14.803,1084 7.437,1085 11.271,1086 -0.618,1087 14.124,1088 -1.002,1089 8.523,1090 10.134,1091 5.371,1092 16.892,1093 8.242,1094 12.683,1095 -0.922,1096 15.935,1097 -1.603,1098 9.753,1099 11.693,1100 6.635,1101 19.357,1102 9.442,1103 3.177,1104 -1,1105 17.758,1106 -2,1107 10.746,1108 12.892,1109 7.028,1110 21.604,1111 10.405,1112 2.725,1113 10.879,1114 19.591,1115 -2.283,1116 11.908,1117 14.368,1118 8.105,1119 24.012,1120 11.539,1121 2.593,1122 8.476,1123 21.432,1124 4.101,1125 12.976,1126 15.661,1127 8.654,1128 26.332,1129 12.577,1130 2.267,1131 7.803,1132 23.279,1133 3.423,1134 14.116,1135 17.1,1136 9.616,1137 28.721,1138 13.69,1139 1.618,1140 6.872,1141 25.133,1142 3.056,1143 15.22,1144 18.444,1145 10.263,1146 31.076,1147 14.766,1148 1.481,1149 4.232,1150 26.992,1151 2.679,1152 16.357,1153 19.865,1154 11.156,1155 33.46,1156 15.874,1157 1.312,1158 4.078,1159 28.856,1160 2.123,1161 17.48,1162 21.237,1163 11.862,1164 35.831,1165 16.969,1166 4244,1167 7446,1168 14.334,1169 26.682,1170 34.856,1171 36.452,1172 36.216,1173 34.178,1174 34.127,1175 42.027,1176 12.295,1177 98.315,1178 32.427,1179 5.392,1180 5.779,1181 6.475,1182 5.205,1183 5.177,1184 7.101,1185 3.912,1186 18.068,1187 5.077,1188 14.163,1189 1.515,1190 1.585,1191 1.575,1192 1.486,1193 1.484,1194 1.827,1195 0.535,1196 4.275,1197 1.41,1198 4.019,1199 4.045,1200 3.975,1201 3.93,1202 7.435,1203 3.936,1204 3.665,1205 3.705,1206 3.606,1207 3.49,1208 7.431,1209 3.507,1210 3.601,1211 3.646,1212 3.508,1213 3.333,1214 4.826,1215 3.366,1216 3.441,1217 3.513,1218 3.274,1219 3.251,1220 4.487,1221 3.241,1222 3.244,1223 3.326,1224 3.074,1225 3.018,1226 4.351,1227 3.019,1228 3.043,1229 3.066,1230 2.906,1231 2.806,1232 4.215,1233 2.822,1234 2.951,1235 3.009,1236 2.797,1237 2.689,1238 4.049,1239 2.708,1240 2.874,1241 2.981,1242 2.535,1243 2.618,1244 3.77,1245 2.57,1246 0.195,1247 0.164,1248 0.292,1249 0.18,1250 0.138,1251 4.491,1252 0.178,1253 3.779,1254 0.096,1255 6.705,1256 0.473,1257 4.145,1258 0.134,1259 3.177,1260 4.101,1261 2.208,1262 10.879,1263 3.077,1264 1.97,1265 1.947,1266 2.06,1267 2.08,1268 1.264,1269 2.074,1270 1.583,1271 1.558,1272 1.81,1273 1.835,1274 0.94,1275 1.817,1276 1.511,1277 1.438,1278 1.785,1279 1.773,1280 0.837,1281 1.777,1282 1.441,1283 1.368,1284 1.688,1285 1.64,1286 0.792,1287 1.662,1288 1.223,1289 1.134,1290 1.559,1291 1.482,1292 0.669,1293 1.509,1294 0.942,1295 0.913,1296 1.417,1297 1.24,1298 0.469,1299 1.308,1300 0.934,1301 0.815,1302 1.16,1303 1.239,1304 0.248,1305 1.198,1306 0.844,1307 0.804,1308 1.059,1309 1.16,1310 0.122,1311 1.126,1312 3.85,1314 5.165,1316 6.681,1318 8.296,1320 9.967,1322 6.847,1328 0.694,1330 10.446,1333 3.187,1340 25.643,1341 66.039,1342 142.968,1343 182.438,1344 195.458,1345 195.458,1346 195.458,1347 45.481,1348 6.609,1349 59.08,1350 59.08,1351 12,1352 12.26,1353 3.322,1354 2.807,1355 41.908,1356 65,1357 76,1358 0.321,1359 161.47,1360 291.06,1361 385.748,1362 5287,1364 16.276,1365 0.74,1366 0.602,1367 16.276,1368 13.251,1369 10.435,1370 0.454,1371 0.307,1372 6.896,1373 9.82,1374 6.588,1375 5.564,1376 10.435,1377 7.053,1378 9.45,1379 0.295,1380 0.162,1381 9.45,1382 5.179,1383 7.61,1384 0.186,1385 0.081,1386 7.61,1387 3.305,1388 5.763,1389 0.113,1390 0.044,1391 5.763,1392 2.231,1393 4.775,1394 0.071,1395 0.023,1396 4.775,1397 1.547,1398 0.485,1399 66.891,1400 0.264,1401 21.27,1402 0.94,1403 110,1404 392.232,1405 126.451,1406 363.508,1407 483.58,1408 338,1409 128,1410 346.93,1411 144.125,1412 348.527,1413 507.6,1414 322,1415 8.155}
{0 CHEMBL1243388,1 1.527,2 12.25,3 6.111,4 37.347,5 112.298,6 8.019,7 0.581,8 3.989,9 4.093,10 3.626,11 3.599,12 5.082,13 3.569,14 4.507,15 4.654,16 3.99,17 3.987,18 5.621,19 3.929,20 4.785,21 4.981,22 4.058,23 4.117,24 5.767,25 4.026,26 4.806,27 5.026,28 3.943,29 4.053,30 5.788,31 3.947,32 4.76,33 4.969,34 3.942,35 3.972,36 5.876,37 3.89,38 4.678,39 4.899,40 3.781,41 3.932,42 5.664,43 3.837,44 4.589,45 4.787,46 3.748,47 3.908,48 5.615,49 3.798,50 4.552,51 4.781,52 3.622,53 3.808,54 5.507,55 3.672,56 0.011,57 0.647,58 8.85,59 4.391,60 5.2,61 5.553,62 0.264,63 1.072,64 17.159,65 7.432,66 26.329,67 9.688,68 0.229,69 1.358,70 27.348,71 10.347,72 29.318,73 13.424,74 0.219,75 1.372,76 30.503,77 10.765,78 33.067,79 14.073,80 0.48,81 1.266,82 29.091,83 10.169,84 59.917,85 12.787,86 0.24,87 1.175,88 24.606,89 9.723,90 36.691,91 12.525,92 0.296,93 1.089,94 21.808,95 8.792,96 36.176,97 11.178,98 0.168,99 1.035,100 24.048,101 8.857,102 31.794,103 11.725,104 5,105 42,106 0.257,107 0.552,108 0.715,109 0.848,110 0.888,111 0.888,112 3.374,113 0.941,114 -5.6,115 -5.47,116 -5.1,121 46.9,123 2,127 2,144 12,145 2,146 4,161 1,176 13,179 1,180 6,183 2,185 1,187 13,192 7,197 3,200 10,206 7,211 3,214 6,218 1,219 10,224 2,227 10,232 3,237 1,239 14,243 1,244 2,247 1,249 1,251 17,256 2,264 12,269 4,274 1,277 6,281 1190,282 19.223,283 19.223,284 19.223,285 19.223,286 19.223,287 16.814,288 23.463,289 11.62,290 19.6,291 15.359,292 15.359,293 15.359,294 15.359,295 15.359,296 11.818,297 31.632,298 5.58,299 16.04,300 4.087,301 2.327,302 1.36,303 0.563,304 0.327,305 0.327,306 4.076,308 1,312 1,313 749,314 3.082,318 329.935,322 124.763,325 2.125,326 20.344,329 0.75,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.84,337 59.333,338 343,339 4.365,340 3.686,341 6.529,342 4.038,343 3.074,344 3.968,345 2.186,346 10.306,347 2.964,348 4.186,349 3.312,350 6.054,351 3.764,352 2.836,353 3.787,354 0.916,355 8.708,356 2.605,357 3.919,358 3.114,359 5.566,360 3.549,361 2.581,362 3.451,363 0.366,364 7.59,365 2.518,366 3.753,367 2.789,368 5.365,369 3.369,370 2.42,371 3.056,372 0.172,373 6.991,374 2.258,375 3.401,376 2.529,377 5.024,378 3.015,379 2.055,380 2.605,382 5.839,383 1.951,384 3.092,385 2.171,386 4.729,387 2.786,388 1.813,389 2.242,391 5.106,392 1.758,393 2.885,394 1.889,395 4.169,396 2.513,397 1.528,398 2.041,400 3.776,401 1.503,402 2.874,403 1.641,404 4.08,405 2.408,406 1.417,407 2.035,409 3.549,410 1.403,411 2.807,412 1.51,413 3.601,414 2.376,415 1.414,416 1.917,418 3.043,419 1.361,420 2.672,421 1.498,422 3.595,423 2.316,424 1.364,425 1.701,427 2.957,428 1.221,429 2.5,430 1.004,431 3.378,432 2,433 1,434 1.5,436 2.186,437 1,438 2.174,439 1,440 3.247,441 1.921,442 0.934,443 1.126,445 2.136,446 0.92,447 1.421,448 0.787,449 2.988,450 1.088,451 0.191,452 0.225,454 0.479,455 0.16,456 1.316,457 0.57,458 2.809,459 1.016,460 0.055,461 0.063,463 0.138,464 0.051,465 1.144,466 0.304,467 2.483,468 0.811,469 -0.131,470 -0.159,472 -0.325,473 -0.114,474 13.681,475 0.489,476 0.571,477 0.02,478 38.75,479 1.384,480 21,481 0.75,482 17.75,483 0.634,484 21.189,485 0.757,486 28.919,487 0.59,488 27.379,489 0.978,490 7.677,491 0.274,492 6.01,493 0.215,494 0.077,496 0.285,501 0.72,502 1.181,503 0.63,504 0.935,505 0.564,506 0.871,507 0.592,508 1.12,509 0.747,510 0.967,511 0.442,512 0.978,513 0.977,514 1.148,515 0.918,516 1.039,517 0.754,518 1.027,519 1.055,520 1.097,521 1.05,522 1.079,523 0.84,524 1.04,525 1.162,526 0.935,527 0.859,528 0.986,529 1.28,530 0.956,531 1.134,532 0.887,533 0.696,534 0.841,535 1.203,536 0.863,537 1.118,538 0.916,539 0.893,540 0.936,541 1.235,542 1.03,543 0.893,544 1.034,545 1.031,546 1.063,547 1.064,548 1.057,549 5,550 0.107,551 2.444,552 1.688,553 1.44,554 0.646,555 0.483,556 0.299,557 0.229,558 0.171,559 10885,560 28861,561 2.137,562 42.9,563 2,564 16,567 1,569 2,572 1.707,573 2.049,574 3.569,575 -0.394,582 74.84,583 1.527,584 3.287,585 4.255,586 5.051,587 5.288,588 5.288,589 3.098,590 4.084,591 4.777,592 3.752,593 1418.24,594 8.288,595 19204.4,600 275.121,601 1.198,602 4.76,603 0.161,604 0.005,605 0.058,606 0.04,607 0.039,608 0.018,609 0.014,610 0.01,611 0.009,612 0.008,613 0.363,614 0.33,615 0.88,616 0.444,617 142.461,618 -0.022,619 -0.093,620 0.03,621 -0.023,622 -0.029,623 0.015,624 0.257,625 -0.042,626 0.003,627 -0.05,628 0.192,629 -0.076,630 -0.033,631 -0.133,632 -0.014,633 -0.085,634 -0.009,635 -0.074,636 -0.065,637 -0.094,638 -0.058,639 -0.114,640 0.037,641 -0.069,642 0.131,643 0.039,644 0.047,645 -0.028,646 0.115,647 -0.001,648 -0.076,649 0.066,650 0.081,651 0.122,652 -0.062,653 0.119,654 -0.061,655 0.06,656 -0.069,657 0.024,658 -0.14,659 -0.071,660 -0.036,661 -0.081,662 -0.028,663 -0.067,664 -0.079,665 -0.047,666 2.218,667 5.205,668 0.786,669 29.893,670 1,671 1.112,672 4.369,673 19.088,674 0.702,675 3.466,676 3.761,677 4.007,678 4.263,679 4.489,680 4.477,681 4.605,682 4.762,683 4.844,684 4.898,685 7.178,686 0.665,687 392.91,688 3.466,689 4.99,690 5.826,691 6.688,692 7.538,693 8.406,694 9.262,695 10.133,696 10.993,697 11.866,698 4.1,704 1,705 1,715 12,720 6,722 18,736 1,737 1,740 1,741 49,743 19,744 3,745 31,747 52,748 23,749 18,750 6,751 12,756 4,757 5,758 1,767 2,770 2,772 19,773 4,777 1,782 1,786 1,793 21,794 4,795 1,796 5,797 1,802 2,808 0.75,809 2,829 4,833 1,859 3,865 1,868 28,876 4,877 1,878 1,881 1,892 1,893 4.1,896 1,898 1,901 13.667,902 8.676,903 6.167,904 2.966,907 3.062,908 1.401,909 1.007,910 5.841,911 10.694,912 3.738,913 4.297,914 4.802,915 5.327,916 5.825,917 5.832,918 6.109,919 6.461,920 6.709,921 7,922 1,923 42,924 10.338,926 4.367,927 0.026,929 7.671,931 19.919,933 16.365,936 2.171,937 60.778,941 235.422,942 150.387,943 21.135,944 39.149,945 36.145,948 150.387,949 310.715,950 21.135,952 27.291,953 113.715,954 25.145,955 34.753,956 6.763,957 235.422,958 39.149,959 235.422,960 171.522,961 36.145,962 39.149,964 211.88,965 59.687,968 27.291,969 144.23,970 39.149,972 235.422,973 57.28,974 189.535,977 235.422,978 36.672,979 116.839,980 18.011,981 75.293,982 235.422,983 57.28,984 189.535,986 0.573,987 0.329,988 0.182,989 0.1,990 20,991 8,992 0.096,993 5,994 1,995 1.091,996 4.108,997 237.454,998 0.091,999 22,1000 130.606,1005 18.851,1006 8.676,1007 4.688,1009 57.28,1010 23.354,1015 5.224,1017 18.011,1018 482.237,1019 41,1024 12.205,1028 -0.551,1031 49.018,1032 54.511,1034 0.272,1035 0.585,1036 0.758,1037 0.9,1038 0.942,1039 0.942,1040 4.952,1041 1.417,1042 5.784,1043 3.776,1044 4.443,1045 4.984,1046 2.401,1047 6.547,1048 4.355,1049 6.131,1050 1.414,1051 7.306,1052 3.549,1053 3.892,1054 4.605,1055 1.847,1056 7.322,1057 3.703,1058 7.411,1059 1.364,1060 8.927,1061 3.043,1062 5.984,1063 7.088,1064 3.519,1065 10.423,1066 5.805,1067 8.722,1068 1,1069 10.608,1070 2.957,1071 6.256,1072 7.5,1073 3.603,1074 12.052,1075 5.969,1076 10.064,1077 0.934,1078 12.33,1079 2.186,1080 7.794,1081 9.457,1082 4.91,1083 14.646,1084 7.519,1085 11.428,1086 0.191,1087 14.079,1088 2.136,1089 8.474,1090 10.266,1091 5.291,1092 16.649,1093 8.104,1094 12.808,1095 0.055,1096 15.849,1097 0.479,1098 9.763,1099 11.967,1100 6.388,1101 19.061,1102 9.393,1103 3.074,1104 -0.131,1105 17.634,1106 0.138,1107 10.651,1108 12.996,1109 6.93,1110 21.233,1111 10.204,1112 2.836,1113 10.306,1114 19.432,1115 -0.325,1116 11.827,1117 14.555,1118 7.902,1119 23.581,1120 11.367,1121 2.581,1122 8.708,1123 21.241,1124 3.968,1125 12.82,1126 15.713,1127 8.539,1128 25.832,1129 12.298,1130 2.42,1131 7.59,1132 23.058,1133 3.787,1134 13.947,1135 17.191,1136 9.436,1137 28.159,1138 13.404,1139 2.055,1140 6.991,1141 24.881,1142 3.451,1143 14.994,1144 18.427,1145 10.13,1146 30.447,1147 14.4,1148 1.813,1149 5.839,1150 26.711,1151 3.056,1152 16.102,1153 19.856,1154 10.981,1155 32.769,1156 15.482,1157 1.528,1158 5.106,1159 28.546,1160 2.605,1161 17.177,1162 21.141,1163 11.71,1164 35.077,1165 16.513,1166 10221,1167 16846,1168 21.266,1169 34.392,1170 45.708,1171 46.858,1172 46.402,1173 45.493,1174 45.366,1175 59.432,1176 7.283,1177 125.605,1178 43.346,1179 5.314,1180 5.686,1181 6.331,1182 5.123,1183 5.074,1184 6.968,1185 3.889,1186 17.198,1187 4.964,1188 9.726,1189 1.474,1190 1.512,1191 1.497,1192 1.468,1193 1.463,1194 1.917,1195 0.235,1196 4.052,1197 1.398,1198 4.03,1199 4.064,1200 4.019,1201 3.942,1202 7.435,1203 3.944,1204 3.902,1205 3.93,1206 3.949,1207 3.837,1208 4.946,1209 3.831,1210 3.872,1211 3.901,1212 3.803,1213 3.817,1214 4.817,1215 3.81,1216 3.549,1217 3.592,1218 3.47,1219 3.387,1220 4.735,1221 3.386,1222 3.335,1223 3.366,1224 3.307,1225 3.077,1226 4.353,1227 3.109,1228 3.225,1229 3.301,1230 3.244,1231 3.044,1232 4.297,1233 3.059,1234 2.907,1235 2.982,1236 3.073,1237 2.801,1238 3.971,1239 2.775,1240 2.881,1241 2.925,1242 2.754,1243 2.781,1244 3.823,1245 2.763,1246 0.141,1247 0.119,1248 0.211,1249 0.13,1250 0.099,1251 4.365,1252 0.128,1253 3.686,1254 0.071,1255 6.529,1256 0.332,1257 4.038,1258 0.096,1259 3.074,1260 3.968,1261 2.186,1262 10.306,1263 2.964,1264 1.982,1265 1.952,1266 2.102,1267 2.096,1268 1.373,1269 2.1,1270 1.886,1271 1.86,1272 2.011,1273 1.978,1274 1.133,1275 1.986,1276 1.875,1277 1.85,1278 1.971,1279 1.956,1280 1.058,1281 1.972,1282 1.522,1283 1.47,1284 1.74,1285 1.707,1286 0.928,1287 1.713,1288 1.229,1289 1.167,1290 1.492,1291 1.496,1292 0.71,1293 1.464,1294 1.177,1295 1.141,1296 1.315,1297 1.43,1298 0.47,1299 1.44,1300 0.935,1301 0.867,1302 1.254,1303 1.128,1304 0.274,1305 1.175,1306 0.886,1307 0.824,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 4.143,1314 5.442,1316 6.942,1318 8.533,1320 10.169,1323 6.073,1328 3.954,1329 2.677,1330 5.466,1333 2.377,1340 32.568,1341 74.84,1342 161.082,1343 208.492,1344 247.511,1345 259.121,1346 259.121,1347 39.88,1348 7.632,1349 41.57,1350 41.57,1351 24,1352 12.41,1353 4.322,1354 3.459,1355 42.611,1356 123,1357 108,1358 0.171,1359 202.461,1360 352.71,1361 485.764,1362 23586,1363 2,1364 19.347,1365 0.691,1366 0.577,1367 19.847,1368 16.154,1369 13.687,1370 0.442,1371 0.314,1372 9.283,1373 13.046,1374 9.061,1375 7.5,1376 13.975,1377 9.719,1378 12.132,1379 0.289,1380 0.171,1381 12.503,1382 7.203,1383 9.996,1384 0.185,1385 0.095,1386 10.376,1387 5.133,1388 8.477,1389 0.121,1390 0.052,1391 8.73,1392 3.671,1393 6.96,1394 0.079,1395 0.029,1396 7.207,1397 2.568,1398 0.273,1399 87.672,1400 0.217,1401 27.148,1402 0.455,1403 146,1404 405.652,1405 172.741,1406 425.495,1407 575.9,1408 398,1409 169,1410 404.842,1411 191.513,1412 420.09,1413 612.72,1414 396,1415 5.48}
{0 CHEMBL12472,1 1.502,2 16.2,3 5.615,4 31.526,5 132.388,6 7.173,7 0.5,8 4.185,9 4.303,10 3.8,11 3.769,12 5.153,13 3.678,14 4.738,15 4.933,16 4.069,17 4.136,18 5.604,19 4.013,20 4.859,21 5.028,22 4.1,23 4.231,24 5.728,25 4.06,26 5.072,27 5.363,28 4.056,29 4.26,30 5.746,31 4.017,32 4.794,33 4.995,34 3.85,35 4.092,36 5.626,37 3.919,38 4.823,39 5.074,40 3.795,41 4.079,42 5.56,43 3.873,44 4.694,45 4.924,46 3.91,47 4.028,48 5.487,49 3.82,50 4.716,51 4.973,52 3.633,53 3.971,54 5.426,55 3.751,56 0.053,57 0.861,58 15.433,59 6.658,60 10.685,61 8.498,62 0.259,63 1.437,64 34.419,65 11.589,66 21.104,67 13.991,68 0.429,69 1.507,70 34.369,71 13.236,72 30.384,73 16.333,74 0.26,75 1.808,76 48.414,77 17.613,78 31.576,79 21.723,80 0.375,81 1.37,82 35.369,83 12.595,84 31.257,85 14.874,86 0.201,87 1.451,88 34.708,89 12.804,90 24.599,91 16.782,92 0.199,93 1.278,94 34.843,95 12.644,96 24.034,97 14.778,98 0.256,99 1.309,100 37.5,101 12.788,102 22.241,103 15.081,104 25,105 42,106 0.243,107 0.463,108 0.596,109 0.649,110 0.659,111 0.659,112 3.439,113 1.169,114 -3.94,115 -3.9,116 -3.7,121 38.7,126 4,127 6,144 8,145 2,154 4,176 8,180 4,187 8,191 2,192 4,200 9,206 2,214 6,219 2,227 4,232 6,239 6,244 4,251 9,256 4,264 6,269 4,277 2,281 1660,282 20.032,283 20.032,284 20.032,285 20.032,286 20.032,287 18.121,288 28.259,289 12.209,290 20.61,291 15.865,292 15.865,293 15.865,294 15.865,295 15.865,296 12.934,297 35.632,298 5.903,299 16.738,300 4.452,301 3.097,302 2.275,303 1.952,304 1.887,305 1.887,306 4.121,312 1,313 1020,314 4.123,317 210.99,318 117.076,325 2.853,326 13.243,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 63,338 486,339 4.126,340 4.292,341 5.676,342 3.753,343 2.767,344 3.735,345 3.52,346 7.973,347 2.729,348 4.124,349 4.287,350 5.676,351 3.75,352 2.764,353 3.735,354 3.52,355 7.972,356 2.728,357 4.036,358 3.066,359 5.491,360 3.641,361 2.653,362 3.636,363 0.916,364 7.389,365 2.62,366 3.505,367 3.03,368 5.137,369 3.22,370 2.28,371 2.778,372 0.916,373 6.399,374 2.148,375 3.367,376 2.863,377 5.027,378 3.172,379 2.235,380 2.505,381 0.57,382 6.078,383 2.095,384 3.354,385 2.79,386 5.019,387 3.133,388 2.172,389 2.498,390 0.57,391 6.054,392 2.081,393 2.907,394 2.465,395 4.337,396 2.679,397 1.746,398 1.946,399 0.172,400 4.335,401 1.623,402 2.901,403 2.341,404 4.335,405 2.67,406 1.725,407 1.942,408 0.172,409 4.329,410 1.62,411 2.5,412 2.132,413 3.491,414 2.015,415 1.19,416 1.5,418 2.637,419 1,420 2.34,421 1.922,422 3.414,423 2,424 1.037,425 1.321,427 2.327,428 0.955,429 2.26,430 1.675,431 3.367,432 1.874,433 1,434 1.199,436 2.275,437 0.847,438 2.175,439 1.575,440 3.27,441 1.716,442 0.727,443 1.042,445 1.73,446 0.716,447 2.102,448 1,449 3.25,450 1.67,451 0.706,452 0.989,454 1.685,455 0.672,456 1.364,457 0.759,458 2.768,459 1.094,460 0.167,461 0.192,463 0.404,464 0.151,465 1,466 0.757,467 2.573,468 0.78,469 -0.138,470 -0.154,472 -0.353,473 -0.122,474 15.133,475 0.504,476 0.698,477 0.023,478 32.5,479 1.083,480 14,481 0.467,482 18.5,483 0.617,484 30.282,485 1.009,486 33.467,487 0.54,488 20.974,489 0.699,490 5.9,491 0.197,492 8.574,493 0.286,494 0.132,496 0.251,501 0.903,502 1.334,503 0.813,504 1.043,505 0.93,506 1.053,507 1.397,508 0.922,509 1.297,510 1.077,511 0.935,512 0.888,513 1.472,514 1.18,515 1.091,516 1.149,517 1.687,518 1.298,519 0.578,520 0.881,521 0.913,522 0.93,523 0.556,524 0.826,525 2.058,526 0.954,527 1.329,528 1.054,529 1.946,530 1.067,531 0.582,532 1.089,533 0.971,534 1.103,535 0.702,536 1.092,537 0.967,538 0.989,539 1.01,540 1.025,541 0.883,542 0.994,543 0.985,544 0.958,545 1.464,546 1.228,547 0.934,548 0.967,549 7,550 0.164,551 1.778,552 1.639,553 0.792,554 0.938,555 0.325,556 0.25,557 0.231,558 0.173,559 14952,560 34277,561 2.032,562 51.6,564 32,572 1.717,573 1.915,574 3.956,575 -0.792,582 93.121,583 1.502,584 2.857,585 3.68,586 4.002,587 4.067,588 4.067,589 3.374,590 3.457,591 4.875,592 4.181,593 1818.89,594 8.445,595 29177.2,600 369.16,601 1.338,602 4.843,603 0.219,604 0.007,605 0.042,606 0.047,607 0.023,608 0.03,609 0.012,610 0.009,611 0.009,612 0.008,613 0.405,614 0.33,615 0.88,616 1.072,617 162.531,618 0.045,619 -0.185,620 0.094,621 -0.028,622 0.011,623 -0.018,624 -0.136,625 0.236,626 -0.086,627 0.038,628 0.071,629 0.106,630 -0.041,631 -0.158,632 -0.131,633 -0.147,634 -0.354,635 -0.302,636 0.117,637 0.066,638 0.187,639 0.129,640 0.241,641 0.181,642 -0.358,643 0.05,644 -0.222,645 0.004,646 -0.434,647 -0.084,648 0.05,649 -0.11,650 -0.02,651 -0.112,652 0.064,653 -0.085,654 -0.014,655 0.004,656 0.106,657 0.073,658 0.127,659 0.031,660 -0.097,661 0.069,662 -0.159,663 -0.036,664 -0.03,665 0.062,666 0.651,667 2.377,668 0.533,669 41.289,670 0.988,671 1.121,672 2.712,673 7.355,674 0.672,675 3.497,676 3.761,677 3.892,678 4.111,679 4.143,680 4.174,681 4.205,682 4.143,683 4.29,684 4.394,685 9.501,686 0.609,687 444.72,688 3.497,689 5.004,690 5.796,691 6.635,692 7.441,693 8.281,694 9.095,695 9.934,696 10.752,697 11.59,698 3.2,701 2,715 8,718 2,720 6,722 16,741 62,743 16,744 1,745 32,747 64,748 24,749 14,750 2,751 4,756 3,757 3,772 14,773 10,792 2,793 32,794 4,796 6,797 2,802 2,808 1,809 2,828 2,829 1,855 2,859 3,860 2,862 2,864 4,868 30,876 6,879 2,881 2,893 3.2,898 2,901 15.667,902 12.233,903 6.667,904 3.361,907 2.681,908 1.365,909 0.952,910 9.311,911 10.016,912 3.714,913 4.234,914 4.682,915 5.193,916 5.386,917 5.426,918 5.555,919 5.614,920 6.036,921 6.433,922 0.909,923 35,924 11.095,926 4.416,927 0.026,929 7.422,931 21.992,933 17.399,936 1.922,937 57.667,941 376.675,942 209.811,943 6.249,945 19.015,947 64.439,948 145.372,949 395.69,950 6.249,951 33.586,952 7.81,953 75.81,955 31.634,956 21.795,957 441.114,959 376.675,960 151.621,961 19.015,962 64.439,964 376.675,965 19.015,968 14.059,969 137.562,971 64.439,972 376.675,973 25.263,974 209.811,977 376.675,978 100.416,979 115.644,981 19.015,982 376.675,983 25.263,984 209.811,986 0.568,987 0.293,988 0.159,989 0.079,990 17,991 8,992 0.188,993 12,995 1,996 4.469,997 231.401,999 16,1000 109.207,1001 2,1005 23.392,1006 11.941,1007 8.417,1009 25.263,1010 17.301,1013 11.755,1015 6.872,1018 611.75,1019 40,1031 61.265,1032 69.483,1034 0.252,1035 0.48,1036 0.618,1037 0.672,1038 0.683,1039 0.683,1040 4.92,1041 1.725,1042 5.746,1043 4.335,1044 4.443,1045 4.92,1046 4.005,1047 6.431,1048 4.355,1049 6.08,1050 1.19,1051 7.222,1052 4.329,1053 3.892,1054 4.543,1055 0.57,1056 7.018,1057 3.823,1058 7.338,1059 1.037,1060 8.782,1061 2.637,1062 5.922,1063 6.98,1064 6.425,1065 10.01,1066 5.789,1067 8.627,1068 1,1069 10.388,1070 2.327,1071 6.133,1072 7.429,1073 0.674,1074 11.374,1075 6.03,1076 9.945,1077 0.727,1078 12.023,1079 2.275,1080 7.621,1081 9.306,1082 8.937,1083 13.827,1084 7.464,1085 11.283,1086 0.706,1087 13.677,1088 1.73,1089 8.2,1090 10.151,1091 0.66,1092 15.54,1093 8.068,1094 12.636,1095 0.167,1096 15.345,1097 1.685,1098 9.444,1099 11.767,1100 11.454,1101 17.774,1102 9.271,1103 2.767,1104 -0.138,1105 17.023,1106 0.404,1107 10.217,1108 12.821,1109 0.611,1110 19.66,1111 10.061,1112 2.764,1113 7.973,1114 18.708,1115 -0.353,1116 11.341,1117 14.301,1118 13.971,1119 21.798,1120 11.155,1121 2.653,1122 7.972,1123 20.399,1124 3.735,1125 12.221,1126 15.467,1127 0.55,1128 23.772,1129 12.043,1130 2.28,1131 7.389,1132 22.095,1133 3.735,1134 13.284,1135 16.875,1136 16.487,1137 25.867,1138 13.085,1139 2.235,1140 6.399,1141 23.795,1142 3.636,1143 14.222,1144 18.103,1145 0.487,1146 27.886,1147 14.024,1148 2.172,1149 6.078,1150 25.498,1151 2.778,1152 15.256,1153 19.471,1154 19.004,1155 29.963,1156 15.041,1157 1.746,1158 6.054,1159 27.204,1160 2.505,1161 16.226,1162 20.733,1163 0.427,1164 32.005,1165 16.007,1166 14552,1167 22176,1168 21.266,1169 41.637,1170 47.122,1171 52.771,1172 47.02,1173 46.347,1174 46.338,1175 58.037,1176 20.714,1177 123.171,1178 43.969,1179 5.013,1180 6.292,1181 5.246,1182 4.873,1183 4.767,1184 6.735,1185 7.04,1186 13.554,1187 4.729,1188 15.816,1189 1.473,1190 1.649,1191 1.469,1192 1.448,1193 1.448,1194 1.814,1195 0.647,1196 3.849,1197 1.374,1198 3.989,1199 4.007,1200 4.052,1201 3.924,1202 5.045,1203 3.903,1204 3.929,1205 3.942,1206 3.964,1207 3.792,1208 5.024,1209 3.801,1210 3.898,1211 3.921,1212 3.846,1213 3.784,1214 4.719,1215 3.797,1216 3.549,1217 3.634,1218 3.701,1219 3.422,1220 4.277,1221 3.353,1222 3.547,1223 3.633,1224 3.543,1225 3.338,1226 4.267,1227 3.325,1228 3.357,1229 3.396,1230 3.355,1231 3.258,1232 3.927,1233 3.232,1234 3.162,1235 3.212,1236 3.338,1237 3.14,1238 3.714,1239 3.038,1240 2.98,1241 3.059,1242 2.837,1243 2.856,1244 3.674,1245 2.826,1246 0.129,1247 0.134,1248 0.177,1249 0.117,1250 0.086,1251 4.126,1252 0.117,1253 4.292,1254 0.11,1255 5.676,1256 0.249,1257 3.753,1258 0.085,1259 2.767,1260 3.735,1261 3.52,1262 7.973,1263 2.729,1264 1.931,1265 1.909,1266 2.032,1267 1.993,1268 1.228,1269 2.017,1270 1.647,1271 1.591,1272 1.869,1273 1.882,1274 1.035,1275 1.882,1276 1.647,1277 1.59,1278 1.867,1279 1.881,1280 1.034,1281 1.88,1282 1.572,1283 1.552,1284 1.697,1285 1.691,1286 1.005,1287 1.72,1288 1.539,1289 1.515,1290 1.688,1291 1.672,1292 0.913,1293 1.689,1294 1.338,1295 1.281,1296 1.553,1297 1.531,1298 0.747,1299 1.547,1300 1.299,1301 1.236,1302 1.534,1303 1.53,1304 0.665,1305 1.538,1306 1.225,1307 1.181,1308 1.451,1309 1.4,1310 0.642,1311 1.437,1312 4.174,1314 5.451,1315 3.045,1316 6.872,1317 5.283,1318 8.362,1319 7.248,1320 9.892,1322 8.216,1328 5.507,1331 3.781,1333 4.235,1340 37.749,1341 93.121,1342 177.121,1343 228.141,1344 248.141,1345 252.141,1346 252.141,1347 47.621,1348 7.335,1349 32.76,1350 83.36,1351 16,1352 12.161,1353 4.087,1354 3.17,1355 56.036,1356 175,1357 144,1358 0.153,1359 242.158,1360 412.1,1361 582.625,1362 18154,1364 21.347,1365 0.712,1366 0.667,1367 22.054,1368 20.022,1369 14.474,1370 0.452,1371 0.39,1372 10.222,1373 13.05,1374 9.495,1375 8.012,1376 15.474,1377 12.466,1378 13.098,1379 0.312,1380 0.238,1381 14.029,1382 9.985,1383 9.325,1384 0.194,1385 0.135,1386 10.55,1387 6.48,1388 7.842,1389 0.131,1390 0.081,1391 9.088,1392 4.837,1393 5.377,1394 0.087,1395 0.051,1396 6.516,1397 3.19,1398 0.258,1399 100.042,1400 0.217,1401 29.869,1402 0.377,1403 148,1404 386.482,1405 197.129,1406 412.966,1407 554.18,1408 390,1409 164,1410 368.105,1411 210.596,1412 398.878,1413 569.5,1414 364,1415 6.585}
{0 CHEMBL12473,1 1.502,2 15.367,3 5.615,4 31.526,5 132.388,6 7.173,7 0.5,8 4.185,9 4.303,10 3.8,11 3.769,12 5.153,13 3.678,14 4.738,15 4.933,16 4.069,17 4.136,18 5.605,19 4.013,20 4.859,21 5.028,22 4.1,23 4.231,24 5.726,25 4.06,26 5.072,27 5.363,28 4.071,29 4.266,30 5.74,31 4.027,32 4.797,33 4.985,34 3.939,35 4.135,36 5.644,37 3.958,38 4.889,39 5.147,40 3.895,41 4.146,42 5.601,43 3.912,44 4.67,45 4.884,46 3.867,47 4.027,48 5.477,49 3.847,50 4.819,51 5.088,52 3.735,53 4.049,54 5.515,55 3.821,56 0.053,57 0.861,58 15.433,59 6.658,60 10.685,61 8.498,62 0.259,63 1.437,64 34.419,65 11.589,66 21.215,67 13.991,68 0.429,69 1.507,70 34.369,71 13.236,72 30.535,73 16.333,74 0.261,75 1.809,76 48.426,77 17.614,78 30.616,79 21.725,80 0.362,81 1.395,82 34.672,83 12.71,84 30.916,85 14.988,86 0.246,87 1.574,88 44.91,89 15.138,90 26.492,91 18.312,92 0.164,93 1.24,94 27.507,95 11.284,96 20.707,97 14.223,98 0.272,99 1.448,100 44.088,101 14.681,102 24.705,103 16.935,104 25,105 42,106 0.243,107 0.463,108 0.612,109 0.68,110 0.69,111 0.69,112 3.439,113 1.169,114 -3.94,115 -3.9,116 -3.7,121 38.7,126 4,127 6,144 8,145 2,154 4,176 8,180 4,187 8,191 2,192 4,200 9,206 2,214 6,219 2,227 4,232 6,239 7,244 4,251 8,256 4,264 6,269 6,277 4,281 1732,282 20.032,283 20.032,284 20.032,285 20.032,286 20.032,287 18.121,288 28.259,289 12.247,290 20.61,291 15.882,292 15.882,293 15.882,294 15.882,295 15.882,296 12.94,297 37.102,298 5.924,299 16.755,300 4.452,301 3.097,302 2.178,303 1.758,304 1.694,305 1.694,306 4.121,312 1,313 966,314 4.123,317 197.457,318 117.076,325 2.676,326 13.246,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 63,338 461,339 4.127,340 4.295,341 5.677,342 3.754,343 2.77,344 3.736,345 3.52,346 7.975,347 2.73,348 4.124,349 4.284,350 5.676,351 3.75,352 2.764,353 3.735,354 3.52,355 7.972,356 2.728,357 4.067,358 3.08,359 5.595,360 3.677,361 2.689,362 3.669,363 0.916,364 7.735,365 2.657,366 3.418,367 3.023,368 5.047,369 3.191,370 2.258,371 2.639,372 0.916,373 6.133,374 2.106,375 3.367,376 2.876,377 5.028,378 3.172,379 2.235,380 2.505,381 0.57,382 6.079,383 2.095,384 3.332,385 2.775,386 4.967,387 3.058,388 2.098,389 2.491,390 0.57,391 5.903,392 2.014,393 2.908,394 2.473,395 4.337,396 2.679,397 1.746,398 1.949,399 0.172,400 4.335,401 1.623,402 2.9,403 2.323,404 4.335,405 2.667,406 1.72,407 1.942,408 0.172,409 4.327,410 1.619,411 2.702,412 2.133,413 3.559,414 2.256,415 1.306,416 1.786,418 2.836,419 1.237,420 2.276,421 1.881,422 3.389,423 1.895,424 1.035,425 1.227,427 2.325,428 0.865,429 2.263,430 1.677,431 3.368,432 1.878,433 1.025,434 1.205,436 2.308,437 0.85,438 2.135,439 1.547,440 3.264,441 1.688,442 0.713,443 1.012,445 1.703,446 0.689,447 2.115,448 1.176,449 3.252,450 1.676,451 0.708,452 0.998,454 1.689,455 0.678,456 1.179,457 0.758,458 2.705,459 0.893,460 -0.036,461 -0.042,463 -0.09,464 -0.033,465 1.114,466 0.758,467 2.64,468 0.876,469 -0.042,470 -0.047,472 -0.108,473 -0.037,474 15.133,475 0.504,476 0.698,477 0.023,478 32.5,479 1.083,480 14,481 0.467,482 18.5,483 0.617,484 30.682,485 1.023,486 33.467,487 0.54,488 21.062,489 0.702,490 5.9,491 0.197,492 8.574,493 0.286,494 0.132,496 0.251,501 0.903,502 1.334,503 0.813,504 1.043,505 0.93,506 1.053,507 1.397,508 0.922,509 1.297,510 1.077,511 0.932,512 0.888,513 1.472,514 1.18,515 1.091,516 1.149,517 1.698,518 1.298,519 0.575,520 0.86,521 0.9,522 0.91,523 0.524,524 0.802,525 2.056,526 0.991,527 1.298,528 1.052,529 1.973,530 1.117,531 0.589,532 1.085,533 1.198,534 1.228,535 0.661,536 1.069,537 0.968,538 1.027,539 0.858,540 0.956,541 0.965,542 1.056,543 0.869,544 0.939,545 1.531,546 1.282,547 0.761,548 0.897,549 7,550 0.114,551 1.556,552 1.889,553 0.792,554 0.938,555 0.243,556 0.326,557 0.169,558 0.209,559 14276,560 32677,561 2.032,562 51.6,564 32,572 1.72,573 1.915,574 3.888,575 -0.792,582 93.121,583 1.502,584 2.857,585 3.776,586 4.196,587 4.26,588 4.26,589 3.348,590 3.495,591 4.875,592 4.106,593 1786.11,594 8.462,595 28018.7,600 369.16,601 1.338,602 4.843,603 0.219,604 0.005,605 0.037,606 0.054,607 0.023,608 0.029,609 0.008,610 0.011,611 0.006,612 0.008,613 0.399,614 0.33,615 0.88,616 1.072,617 161.264,618 0.045,619 -0.185,620 0.094,621 -0.028,622 0.011,623 -0.018,624 -0.136,625 0.236,626 -0.086,627 0.038,628 0.075,629 0.106,630 -0.041,631 -0.158,632 -0.131,633 -0.147,634 -0.365,635 -0.302,636 0.12,637 0.088,638 0.201,639 0.149,640 0.259,641 0.206,642 -0.364,643 0.027,644 -0.197,645 0.011,646 -0.464,647 -0.129,648 0.049,649 -0.079,650 -0.02,651 -0.1,652 0.089,653 -0.038,654 -0.031,655 -0.047,656 0.055,657 0.026,658 0.037,659 -0.046,660 -0.02,661 0.088,662 -0.116,663 -0.026,664 0.11,665 0.143,666 0.653,667 2.397,668 0.533,669 39.147,670 0.988,671 1.121,672 2.712,673 7.355,674 0.672,675 3.497,676 3.761,677 3.892,678 4.127,679 4.143,680 4.174,681 4.205,682 4.174,683 4.29,684 4.419,685 9.024,686 0.609,687 444.72,688 3.497,689 5.004,690 5.796,691 6.637,692 7.444,693 8.287,694 9.1,695 9.942,696 10.759,697 11.601,698 3.2,701 2,715 8,718 2,720 6,722 16,741 62,743 16,744 1,745 32,747 64,748 24,749 14,750 2,751 4,756 3,757 3,772 14,773 10,792 2,793 32,794 4,796 6,797 2,802 2,808 1,809 2,828 2,829 1,855 2,859 3,860 2,862 2,864 4,868 30,876 6,879 2,881 2,893 3.2,898 2,901 15.667,902 12.233,903 6.667,904 3.361,907 2.744,908 1.374,909 0.952,910 9.311,911 10.079,912 3.714,913 4.234,914 4.682,915 5.205,916 5.376,917 5.418,918 5.551,919 5.645,920 6.031,921 6.445,922 1,923 35,924 11.096,926 4.416,927 0.026,929 7.422,931 21.992,933 17.399,936 1.922,937 57.667,941 376.675,942 209.811,943 6.249,945 19.015,947 64.439,948 145.372,949 395.69,950 6.249,951 33.586,952 7.81,953 75.81,955 31.634,956 21.795,957 441.114,959 376.675,960 151.621,961 19.015,962 64.439,964 376.675,965 19.015,968 14.059,969 137.562,971 64.439,972 376.675,973 25.263,974 209.811,977 376.675,978 100.416,979 115.644,981 19.015,982 376.675,983 25.263,984 209.811,986 0.567,987 0.293,988 0.162,989 0.08,990 17,991 8,992 0.188,993 12,995 1,996 4.424,997 233.947,999 16,1000 115.207,1001 2,1005 23.392,1006 11.941,1007 8.417,1009 25.263,1010 17.248,1013 11.793,1015 6.889,1018 611.75,1019 40,1031 61.265,1032 69.483,1034 0.252,1035 0.48,1036 0.634,1037 0.705,1038 0.716,1039 0.716,1040 4.92,1041 1.72,1042 5.746,1043 4.335,1044 4.443,1045 4.92,1046 4.005,1047 6.435,1048 4.355,1049 6.08,1050 1.306,1051 7.222,1052 4.327,1053 3.892,1054 4.543,1055 0.57,1056 7.018,1057 3.823,1058 7.338,1059 1.035,1060 8.782,1061 2.836,1062 5.922,1063 6.98,1064 6.425,1065 10.027,1066 5.789,1067 8.627,1068 1.025,1069 10.39,1070 2.325,1071 6.133,1072 7.429,1073 0.674,1074 11.392,1075 6.03,1076 9.946,1077 0.713,1078 12.027,1079 2.308,1080 7.624,1081 9.308,1082 8.937,1083 13.863,1084 7.467,1085 11.284,1086 0.708,1087 13.684,1088 1.703,1089 8.208,1090 10.16,1091 0.66,1092 15.583,1093 8.077,1094 12.639,1095 -0.036,1096 15.354,1097 1.689,1098 9.454,1099 11.776,1100 11.454,1101 17.832,1102 9.282,1103 2.77,1104 -0.042,1105 17.035,1106 -0.09,1107 10.234,1108 12.837,1109 0.611,1110 19.728,1111 10.08,1112 2.764,1113 7.975,1114 18.724,1115 -0.108,1116 11.36,1117 14.319,1118 13.971,1119 21.877,1120 11.177,1121 2.689,1122 7.972,1123 20.419,1124 3.736,1125 12.247,1126 15.491,1127 0.55,1128 23.86,1129 12.072,1130 2.258,1131 7.735,1132 22.119,1133 3.735,1134 13.313,1135 16.9,1136 16.487,1137 25.965,1138 13.116,1139 2.235,1140 6.133,1141 23.824,1142 3.669,1143 14.257,1144 18.133,1145 0.487,1146 27.99,1147 14.061,1148 2.098,1149 6.079,1150 25.532,1151 2.639,1152 15.294,1153 19.502,1154 19.004,1155 30.075,1156 15.08,1157 1.746,1158 5.903,1159 27.242,1160 2.505,1161 16.268,1162 20.769,1163 0.427,1164 32.122,1165 16.051,1166 13928,1167 21216,1168 21.266,1169 41.637,1170 46.968,1171 52.977,1172 46.926,1173 46.149,1174 46.132,1175 57.786,1176 20.714,1177 122.641,1178 43.783,1179 5.018,1180 6.295,1181 5.277,1182 4.876,1183 4.77,1184 6.736,1185 7.04,1186 13.574,1187 4.73,1188 15.724,1189 1.468,1190 1.656,1191 1.466,1192 1.442,1193 1.442,1194 1.806,1195 0.647,1196 3.833,1197 1.368,1198 3.989,1199 4.007,1200 4.055,1201 3.926,1202 5.045,1203 3.904,1204 3.929,1205 3.941,1206 3.962,1207 3.792,1208 5.024,1209 3.8,1210 3.898,1211 3.921,1212 3.847,1213 3.784,1214 4.72,1215 3.797,1216 3.548,1217 3.633,1218 3.694,1219 3.408,1220 4.278,1221 3.345,1222 3.547,1223 3.633,1224 3.549,1225 3.342,1226 4.267,1227 3.326,1228 3.335,1229 3.374,1230 3.353,1231 3.25,1232 3.907,1233 3.212,1234 3.196,1235 3.244,1236 3.341,1237 3.166,1238 3.816,1239 3.075,1240 2.974,1241 3.054,1242 2.821,1243 2.848,1244 3.622,1245 2.819,1246 0.129,1247 0.134,1248 0.177,1249 0.117,1250 0.087,1251 4.127,1252 0.117,1253 4.295,1254 0.11,1255 5.677,1256 0.249,1257 3.754,1258 0.085,1259 2.77,1260 3.736,1261 3.52,1262 7.975,1263 2.73,1264 1.931,1265 1.909,1266 2.032,1267 1.993,1268 1.233,1269 2.017,1270 1.647,1271 1.591,1272 1.869,1273 1.882,1274 1.035,1275 1.882,1276 1.646,1277 1.589,1278 1.867,1279 1.881,1280 1.032,1281 1.88,1282 1.569,1283 1.549,1284 1.697,1285 1.689,1286 1,1287 1.717,1288 1.54,1289 1.517,1290 1.688,1291 1.673,1292 0.913,1293 1.69,1294 1.329,1295 1.269,1296 1.549,1297 1.531,1298 0.732,1299 1.546,1300 1.301,1301 1.238,1302 1.535,1303 1.53,1304 0.666,1305 1.539,1306 1.209,1307 1.167,1308 1.436,1309 1.379,1310 0.638,1311 1.42,1312 4.174,1314 5.451,1315 3.045,1316 6.872,1317 5.283,1318 8.364,1319 7.248,1320 9.897,1322 8.219,1328 5.488,1331 3.791,1333 4.238,1340 37.749,1341 93.121,1342 177.121,1343 234.141,1344 260.141,1345 264.141,1346 264.141,1347 47.616,1348 7.335,1349 32.76,1350 83.36,1351 16,1352 12.17,1353 4.087,1354 3.17,1355 55.836,1356 163,1357 144,1358 0.161,1359 242.158,1360 412.1,1361 582.625,1362 18154,1364 21.347,1365 0.712,1366 0.667,1367 22.054,1368 20.022,1369 14.474,1370 0.452,1371 0.39,1372 10.222,1373 13.05,1374 9.494,1375 8.014,1376 15.474,1377 12.466,1378 13.11,1379 0.312,1380 0.238,1381 14.041,1382 9.988,1383 9.25,1384 0.193,1385 0.134,1386 10.475,1387 6.448,1388 7.96,1389 0.13,1390 0.08,1391 9.18,1392 4.889,1393 5.377,1394 0.087,1395 0.053,1396 6.6,1397 3.279,1398 0.269,1399 100.042,1400 0.217,1401 29.625,1402 0.403,1403 148,1404 386.482,1405 197.129,1406 413.031,1407 554.2,1408 390,1409 164,1410 368.105,1411 210.596,1412 399.012,1413 569.72,1414 364,1415 5.824}
{0 CHEMBL124933,1 1.463,2 18.139,3 5.989,4 35.863,5 139.328,6 7.186,7 0.462,8 4.3,9 4.408,10 3.833,11 3.824,12 5.383,13 3.804,14 4.845,15 5.014,16 4.159,17 4.192,18 5.919,19 4.149,20 5.093,21 5.289,22 4.224,23 4.323,24 6.104,25 4.257,26 5.159,27 5.384,28 4.157,29 4.288,30 6.205,31 4.205,32 5.076,33 5.3,34 4.02,35 4.261,36 6.038,37 4.152,38 5.081,39 5.329,40 3.927,41 4.229,42 5.965,43 4.09,44 5.058,45 5.315,46 3.784,47 4.145,48 5.886,49 3.992,50 4.944,51 5.197,52 3.717,53 4.047,54 5.773,55 3.9,56 0.017,57 0.912,58 14.39,59 6.611,60 7.752,61 8.42,62 0.398,63 1.466,64 27.496,65 10.624,66 37.692,67 14.041,68 0.33,69 1.75,70 36.701,71 14.061,72 45.715,73 18.435,74 0.702,75 1.81,76 41.131,77 14.37,78 82.646,79 19.33,80 0.472,81 1.727,82 36.931,83 13.628,84 60.073,85 18.498,86 0.413,87 1.728,88 37.345,89 14.122,90 56.81,91 19.781,92 0.582,93 1.641,94 37.55,95 13.444,96 57.646,97 18.695,98 0.306,99 1.472,100 32.903,101 12.261,102 44.915,103 17.097,104 20,105 52,106 0.23,107 0.526,108 0.724,109 0.863,110 0.903,111 0.903,112 3.614,113 0.945,114 -4.34,115 -4.27,116 -4.03,121 42.6,123 4,126 2,127 3,144 11,145 3,146 4,159 1,161 1,176 13,179 1,180 13,183 2,187 14,192 12,200 8,205 2,206 13,211 2,214 9,218 1,219 6,224 2,227 12,231 1,232 4,237 1,239 12,243 2,244 4,247 1,251 10,256 4,264 8,269 7,274 1,277 7,281 2580,282 24.576,283 24.576,284 24.576,285 24.576,286 24.576,287 22.194,288 28.551,289 14.937,290 25.098,291 19.243,292 19.243,293 19.243,294 19.243,295 19.243,296 15.499,297 35.777,298 7.12,299 20.02,300 4.625,301 2.743,302 1.486,303 0.603,304 0.346,305 0.346,306 4.313,312 1,313 1410,314 4.472,318 443.442,322 335.049,325 2.639,326 33.885,329 1,330 0.67,331 0.83,332 1,333 0.5,334 0.83,335 0.5,336 0.76,337 78,338 653,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 2.186,346 11.061,347 3.18,348 4.105,349 3.66,350 6.011,351 3.723,352 2.761,353 3.688,354 0.916,355 8.529,356 2.661,357 4.048,358 2.995,359 5.681,360 3.613,361 2.642,362 3.676,363 0.86,364 7.996,365 2.563,366 3.672,367 2.984,368 5.407,369 3.38,370 2.451,371 2.964,372 0.86,373 6.913,374 2.261,375 3.617,376 2.82,377 5.29,378 3.232,379 2.271,380 2.886,381 0.366,382 6.815,383 2.172,384 3.378,385 2.632,386 5.124,387 3.123,388 2.167,389 2.515,390 0.172,391 6.04,392 2.054,393 3.309,394 2.495,395 4.862,396 2.955,397 2.015,398 2.504,400 5.594,401 1.873,402 3.089,403 2.171,404 4.585,405 2.812,406 1.829,407 2.174,409 4.814,410 1.788,411 2.906,412 1.836,413 4.125,414 2.682,415 1.71,416 2.081,418 3.592,419 1.653,420 2.777,421 1.653,422 3.822,423 2.432,424 1.442,425 1.815,427 3.384,428 1.423,429 2.713,430 1.443,431 3.712,432 2.247,433 1.269,434 1.787,436 3.077,437 1.238,438 2.654,439 1.368,440 3.507,441 2.227,442 1.248,443 1.715,445 2.678,446 1.216,447 2.439,448 1.298,449 3.49,450 2.158,451 1.174,452 1.348,454 2.557,455 1.15,456 2.266,457 1.269,458 3.385,459 1.883,460 0.859,461 1.209,463 2.037,464 0.873,465 1.684,466 1.101,467 2.991,468 1.549,469 0.598,470 0.636,472 1.31,473 0.564,474 16.967,475 0.471,476 0.729,477 0.02,478 45.25,479 1.257,480 22.5,481 0.625,482 22.75,483 0.632,484 31.438,485 0.873,486 39.433,487 0.58,488 35.625,489 0.99,490 9.029,491 0.251,492 8.501,493 0.236,494 0.098,496 0.289,501 0.772,502 1.312,503 0.807,504 1.17,505 0.581,506 1.019,507 0.868,508 0.972,509 0.905,510 0.982,511 0.545,512 0.942,513 1.122,514 1.072,515 0.946,516 1.061,517 0.811,518 0.99,519 1.139,520 0.928,521 0.959,522 0.905,523 1.081,524 0.902,525 1.026,526 1.001,527 1.065,528 1.009,529 1.099,530 1.039,531 0.679,532 1.066,533 0.972,534 1.084,535 0.6,536 1.079,537 0.912,538 0.879,539 1.067,540 0.966,541 0.755,542 1.033,543 0.821,544 1.097,545 1.002,546 1.104,547 0.725,548 1.091,549 6.5,550 0.115,551 2.889,552 2.375,553 1.853,554 0.868,555 0.604,556 0.361,557 0.205,558 0.182,559 25401,560 67510,561 2.073,562 47.1,563 4,564 23,567 1,569 4,572 1.763,573 1.964,574 4.094,575 -0.41,582 99.456,583 1.463,584 3.344,585 4.601,586 5.484,587 5.742,588 5.742,589 3.517,590 4.837,591 5.147,592 4.311,593 2715.8,594 8.977,595 50035.1,600 413.947,601 1.3,602 5.112,603 0.167,604 0.004,605 0.056,606 0.044,607 0.038,608 0.02,609 0.016,610 0.011,611 0.007,612 0.007,613 0.369,614 0.17,615 0.75,616 0.927,617 205.904,618 -0.016,619 -0.142,620 0.058,621 -0.077,622 -0.021,623 -0.01,624 0.096,625 0.136,626 0.038,627 0.03,628 0.127,629 0.031,630 -0.069,631 -0.076,632 0.029,633 -0.05,634 0.029,635 -0.002,636 0.018,637 0.038,638 0.055,639 0.067,640 0.062,641 0.068,642 -0.084,643 -0.005,644 -0.09,645 -0.019,646 -0.089,647 -0.051,648 0.057,649 -0.096,650 -0.013,651 -0.089,652 0.045,653 -0.067,654 -0.014,655 0.075,656 -0.075,657 0.003,658 -0.056,659 -0.041,660 -0.022,661 -0.153,662 -0.029,663 -0.115,664 -0.014,665 -0.081,666 2.134,667 5.651,668 0.556,669 47.426,670 1.001,671 1.122,672 3.109,673 9.664,674 0.657,675 3.689,676 3.97,677 4.205,678 4.454,679 4.682,680 4.754,681 4.844,682 4.956,683 4.984,684 4.89,685 10.567,686 0.625,687 488.63,688 3.689,689 5.209,690 6.038,691 6.897,692 7.745,693 8.615,694 9.473,695 10.351,696 11.217,697 12.1,698 2.9,701 1,705 1,715 11,720 7,722 18,727 1,737 1,739 2,741 68,743 20,744 3,745 39,747 71,748 29,749 18,750 7,751 11,752 1,756 4,757 7,770 4,772 20,773 9,777 2,782 2,786 2,793 32,794 7,795 1,796 7,802 2,808 0.5,809 5,829 4,833 2,855 1,859 2,864 2,868 36,876 7,877 1,878 3,881 1,893 7.4,896 2,898 3,901 18.333,902 12.7,903 8.111,904 4.213,907 3.443,908 1.422,909 0.964,910 9.122,911 11.612,912 3.932,913 4.46,914 4.978,915 5.523,916 6.046,917 6.258,918 6.583,919 6.934,920 7.195,921 7.354,922 0.917,923 54,924 13.339,926 5.553,927 0.026,929 7.736,931 25.578,933 20.527,936 2.236,937 80.5,941 364.904,942 182.4,943 21.135,945 83.29,948 182.4,949 448.194,950 21.135,951 16.793,952 36.953,953 104.239,954 55.423,955 66.654,956 6.763,957 364.904,959 364.904,960 203.535,961 83.29,964 317.82,965 130.374,968 40.077,969 163.458,972 364.904,973 104.425,974 182.4,977 364.904,978 61.368,979 124.156,980 18.011,981 83.29,982 364.904,983 104.425,984 182.4,986 0.567,987 0.323,988 0.174,989 0.096,990 22,991 10,992 0.169,993 12,994 2,995 1.2,996 4.922,997 312.342,998 0.2,999 20,1000 186.117,1005 25.898,1006 12.68,1007 7.177,1009 104.425,1010 20.287,1015 4.646,1017 18.011,1018 651.729,1019 50,1024 24.035,1028 -0.487,1031 68.094,1032 76.272,1034 0.24,1035 0.549,1036 0.756,1037 0.901,1038 0.943,1039 0.943,1040 5.15,1041 1.829,1042 5.994,1043 5.594,1044 4.654,1045 5.147,1046 2.639,1047 6.756,1048 4.581,1049 6.32,1050 1.71,1051 7.517,1052 4.814,1053 4.111,1054 4.832,1055 1.847,1056 7.551,1057 4.007,1058 7.6,1059 1.442,1060 9.141,1061 3.592,1062 6.192,1063 7.248,1064 3.582,1065 10.667,1066 6.057,1067 8.915,1068 1.269,1069 10.827,1070 3.384,1071 6.479,1072 7.753,1073 3.603,1074 12.333,1075 6.327,1076 10.263,1077 1.248,1078 12.555,1079 3.077,1080 8.003,1081 9.647,1082 4.922,1083 14.974,1084 7.829,1085 11.636,1086 1.174,1087 14.315,1088 2.678,1089 8.71,1090 10.56,1091 5.291,1092 17.035,1093 8.533,1094 13.029,1095 0.859,1096 16.098,1097 2.557,1098 9.998,1099 12.218,1100 6.39,1101 19.515,1102 9.805,1103 3.215,1104 0.598,1105 17.9,1106 2.037,1107 10.925,1108 13.35,1109 6.93,1110 21.76,1111 10.733,1112 2.761,1113 11.061,1114 19.718,1115 1.31,1116 12.115,1117 14.889,1118 7.902,1119 24.185,1120 11.914,1121 2.642,1122 8.529,1123 21.55,1124 4.198,1125 13.154,1126 16.144,1127 8.539,1128 26.514,1129 12.954,1130 2.451,1131 7.996,1132 23.393,1133 3.688,1134 14.31,1135 17.622,1136 9.436,1137 28.922,1138 14.104,1139 2.271,1140 6.913,1141 25.246,1142 3.676,1143 15.406,1144 18.946,1145 10.13,1146 31.289,1147 15.199,1148 2.167,1149 6.815,1150 27.107,1151 2.964,1152 16.553,1153 20.392,1154 10.981,1155 33.692,1156 16.341,1157 2.015,1158 6.04,1159 28.975,1160 2.886,1161 17.679,1162 21.757,1163 11.71,1164 36.077,1165 17.463,1166 24037,1167 39389,1168 26.235,1169 44.705,1170 56.657,1171 59.156,1172 58.344,1173 56.157,1174 56.123,1175 71.272,1176 10.723,1177 154.045,1178 54.088,1179 5.511,1180 5.692,1181 6.637,1182 5.3,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.18,1188 17.246,1189 1.453,1190 1.517,1191 1.496,1192 1.44,1193 1.439,1194 1.827,1195 0.275,1196 3.95,1197 1.387,1198 4.049,1199 4.057,1200 4.014,1201 3.966,1202 7.435,1203 3.975,1204 3.941,1205 3.97,1206 3.878,1207 3.857,1208 7.427,1209 3.857,1210 3.79,1211 3.829,1212 3.717,1213 3.713,1214 4.947,1215 3.71,1216 3.735,1217 3.78,1218 3.598,1219 3.615,1220 4.814,1221 3.6,1222 3.568,1223 3.634,1224 3.464,1225 3.356,1226 4.708,1227 3.36,1228 3.506,1229 3.575,1230 3.377,1231 3.209,1232 4.379,1233 3.252,1234 3.307,1235 3.371,1236 3.196,1237 3.114,1238 4.325,1239 3.124,1240 3.178,1241 3.203,1242 3.044,1243 3.027,1244 4.234,1245 3.025,1246 0.117,1247 0.095,1248 0.174,1249 0.108,1250 0.082,1251 4.553,1252 0.108,1253 3.692,1254 0.056,1255 6.774,1256 0.284,1257 4.203,1258 0.082,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.06,1267 2.084,1268 1.372,1269 2.074,1270 1.911,1271 1.885,1272 2.043,1273 2.027,1274 1.188,1275 2.033,1276 1.785,1277 1.756,1278 1.991,1279 1.932,1280 1.162,1281 1.953,1282 1.742,1283 1.688,1284 1.885,1285 1.855,1286 1.048,1287 1.866,1288 1.528,1289 1.456,1290 1.787,1291 1.765,1292 0.971,1293 1.769,1294 1.4,1295 1.329,1296 1.69,1297 1.713,1298 0.788,1299 1.711,1300 1.285,1301 1.215,1302 1.606,1303 1.525,1304 0.681,1305 1.554,1306 1.128,1307 1.105,1308 1.36,1309 1.319,1310 0.554,1311 1.308,1312 4.369,1314 5.659,1316 7.144,1318 8.73,1320 10.375,1322 3.633,1328 6.655,1329 2.45,1330 17.015,1333 2.266,1340 42.519,1341 99.456,1342 227.401,1343 312.874,1344 372.928,1345 390.438,1346 390.438,1347 72.011,1348 8.169,1349 81.01,1350 81.01,1351 24,1352 12.638,1353 4.392,1354 3.585,1355 63.055,1356 238,1357 206,1358 0.125,1359 260.743,1360 465.03,1361 627.973,1362 54460,1364 25.33,1365 0.704,1366 0.577,1367 25.33,1368 20.789,1369 17.529,1370 0.449,1371 0.315,1372 12.109,1373 16.825,1374 11.8,1375 9.852,1376 17.529,1377 12.288,1378 15.24,1379 0.293,1380 0.171,1381 15.24,1382 8.873,1383 12.443,1384 0.189,1385 0.091,1386 12.443,1387 6.018,1388 10.247,1389 0.121,1390 0.049,1391 10.247,1392 4.155,1393 8.185,1394 0.076,1395 0.026,1396 8.185,1397 2.808,1398 0.212,1399 110.126,1400 0.195,1401 34.502,1402 0.306,1403 182,1404 558.656,1405 201.743,1406 526.661,1407 714.99,1408 494,1409 209,1410 521.442,1411 228.112,1412 523.252,1413 764.23,1414 491,1415 8.854}
{0 CHEMBL125278,1 1.842,2 1.75,3 -0.44,4 0.194,5 11.32,6 8.721,8 2.11,9 2.229,10 1.637,11 1.158,12 3.769,13 1.328,14 2.257,15 2.367,16 1.815,17 1.119,18 4.615,19 1.24,20 2.121,21 2.289,22 0.506,23 0.743,24 3.638,25 0.761,26 1.02,27 1.365,28 0.014,29 0.255,30 1.099,31 0.13,56 0.105,57 0.03,58 1.407,59 0.154,60 20.898,61 0.369,62 0.151,63 0.014,64 1.841,65 0.246,66 30.873,67 0.565,68 0.187,69 0.003,70 2.228,71 0.065,72 38.612,73 0.281,74 0.045,75 0.001,76 0.825,77 0.042,78 8.78,79 0.186,104 10,105 3,106 0.656,107 0.898,108 0.898,109 0.755,110 0.327,112 1.788,113 0.716,114 0.63,115 0.45,116 0.19,121 14.3,161 1,165 1,166 1,167 1,170 1,174 2,178 1,182 1,183 2,184 1,186 1,281 6,282 2.121,283 2.121,284 2.121,285 2.121,286 2.121,287 1.862,288 2.042,289 1.5,290 2.164,291 1.5,292 1.5,293 1.5,294 1.5,295 1.5,296 1.15,297 1.357,298 0.75,299 1.56,300 0.965,301 0.286,302 0.286,303 0.687,304 1.89,306 2.045,312 1,313 9,314 1.732,325 0.375,326 6,329 1,330 0.67,331 0.83,332 0.6,333 0.5,334 1,335 1,336 0.8,337 10.5,338 7,339 3.414,340 3.486,341 4,342 2.977,343 2,344 2.562,345 2.044,346 4,347 1.914,348 0.586,349 0.584,350 1,351 0.078,352 -1,353 -1,354 -0.536,355 -2,356 -0.844,358 -0.41,359 1,360 -0.155,361 -1,362 -1.562,363 -1.508,364 -2,365 -1.07,474 1.567,475 0.392,476 0.182,477 0.045,478 3.75,479 0.938,480 1.5,481 0.375,482 2.25,483 0.563,484 1.163,485 0.291,486 5.633,487 0.805,488 2.069,489 0.517,490 1.081,491 0.27,492 0.651,493 0.163,494 0.681,496 0.319,501 1.263,502 1.941,503 0.926,504 1.397,505 1.204,506 0.84,507 0.148,508 1.275,509 0.492,510 1.682,511 0.165,512 1.285,513 2.064,514 0.072,515 2,516 0.141,517 2.103,518 1.161,549 1.5,559 15,560 182,561 1.316,562 42.9,567 3,572 0.929,573 1.2,574 1.328,575 3.417,582 12.897,583 1.842,584 2.522,585 2.522,586 2.121,587 0.917,589 0.811,590 0.811,591 1.971,592 1,593 6,594 2.503,595 22.529,600 19.651,601 0.811,602 1.792,603 0.5,613 0.5,614 0.83,615 1,616 0.811,617 5.927,618 -0.641,619 -0.549,620 -0.261,621 -0.145,622 -0.614,623 0.103,624 0.791,625 -0.112,626 0.351,627 -0.63,628 0.777,629 -0.413,630 -1.138,631 0.082,632 -1.16,633 0.139,634 -1.134,635 -0.603,636 0.818,637 0.044,638 1.288,639 0.474,640 0.774,641 1.196,666 3,667 1.778,669 0.75,670 1.091,671 1.19,672 -1.864,673 3.473,674 0.525,675 1.386,676 1.386,685 1.581,686 0.568,687 61.05,688 1.386,689 2.565,690 2.944,691 3.611,692 4.007,693 4.691,694 5.094,695 5.784,696 6.188,697 6.88,698 14.3,705 1,741 7,743 1,745 3,747 6,748 1,772 1,777 1,782 1,786 1,793 3,794 3,795 3,796 3,802 1,809 2,856 1,857 1,868 4,869 1,875 1,893 28.6,895 1,896 1,901 3.333,902 0.95,903 1,904 0.175,907 0.241,908 1.101,909 0.695,910 0.884,911 2.639,912 1.609,913 1.792,922 1,924 1.359,925 0.555,926 0.426,927 -1.045,928 0.015,929 10.167,930 0.012,931 2.061,932 0.352,933 0.996,934 -0.742,935 0.052,936 4.667,937 18.667,938 0.058,942 0.481,943 32.897,945 67.828,948 0.481,949 67.828,950 32.897,952 32.897,954 67.828,956 0.481,960 33.378,961 67.828,965 67.828,968 32.897,969 0.481,973 100.725,974 0.481,978 0.481,981 100.725,983 100.725,984 0.481,986 0.5,990 1,991 1,996 1.225,997 7.348,1000 8,1005 3.597,1006 0.982,1007 2.975,1009 100.725,1017 75.581,1018 101.207,1019 4,1024 8.778,1028 -1.333,1031 7.64,1032 8.332,1034 0.656,1035 0.898,1036 0.898,1037 0.755,1038 0.327,1040 2.565,1042 2.944,1044 1.946,1045 2.398,1046 2.046,1047 3.219,1048 1.875,1049 3.714,1051 4.205,1053 1.946,1054 2.565,1055 1.784,1056 3.892,1057 1.822,1058 4.92,1060 5.557,1062 2.944,1063 3.932,1064 3.165,1065 5.666,1066 2.787,1067 6.142,1069 6.934,1071 3.434,1072 4.615,1073 3.361,1074 6.868,1075 3.213,1076 7.368,1078 8.318,1080 4.205,1081 5.7,1082 4.45,1083 8.349,1084 3.951,1085 8.596,1087 9.704,1089 4.844,1090 6.553,1091 4.884,1092 9.688,1093 4.534,1094 9.824,1096 11.09,1098 5.557,1099 7.545,1100 5.805,1101 11.098,1102 5.209,1103 2,1105 12.477,1107 6.236,1108 8.454,1109 6.367,1110 12.473,1111 5.839,1112 -1,1113 4,1114 13.863,1116 6.934,1117 9.413,1118 7.194,1119 13.865,1120 6.496,1121 -1,1122 -2,1123 15.249,1124 2.562,1125 7.624,1126 10.342,1127 7.826,1128 15.248,1129 7.139,1131 -2,1132 16.636,1133 -1,1134 8.318,1135 11.29,1136 8.602,1137 16.636,1138 7.791,1141 18.022,1142 -1.562,1143 9.011,1144 12.226,1145 9.272,1146 18.022,1147 8.438,1150 19.408,1152 9.704,1153 13.17,1154 10.02,1155 19.408,1156 9.088,1159 20.794,1161 10.397,1162 14.109,1163 10.71,1164 20.794,1165 9.737,1166 33,1167 138,1168 1.099,1169 3.676,1170 4.162,1171 4.532,1172 4,1173 4.02,1174 4,1175 5.123,1176 4.087,1177 8,1178 3.828,1179 3.414,1180 3.896,1181 3,1182 3.131,1183 3,1184 4.123,1185 3.551,1186 6,1187 2.984,1188 2.039,1189 1.387,1190 1.511,1191 1.333,1192 1.34,1193 1.333,1194 1.708,1195 1.362,1196 2.667,1197 1.276,1198 3.451,1199 3.481,1200 3.387,1201 3.034,1202 7.486,1203 3.122,1204 2.461,1205 2.579,1206 2.157,1207 1.857,1208 6.355,1209 1.909,1210 1.974,1211 2.009,1212 1.76,1213 1.285,1214 4.835,1215 1.381,1216 0.941,1217 1.207,1218 0.083,1219 0.38,1220 1.147,1221 0.262,1222 0.298,1223 0.375,1226 0.999,1232 0.702,1238 0.144,1246 1.138,1247 1.162,1248 1.333,1249 0.992,1250 0.667,1251 3.414,1252 0.854,1253 3.486,1254 0.681,1255 4,1256 1.333,1257 2.977,1258 0.638,1259 2,1260 2.562,1261 2.044,1262 4,1263 1.914,1264 1.21,1265 1.178,1266 1.406,1267 1.656,1269 1.58,1270 0.274,1271 0.141,1272 0.744,1273 0.883,1275 0.847,1278 0.153,1279 0.34,1281 0.269,1312 1.946,1314 2.944,1316 4.007,1318 5.094,1320 6.188,1326 4.028,1327 7.194,1340 3.978,1341 12.897,1342 17.651,1343 17.651,1344 14.844,1345 6.422,1347 0.987,1348 2.398,1349 63.32,1350 63.32,1352 7.687,1353 1,1354 1,1355 5.795,1356 3,1357 2,1358 1.592,1359 32.222,1360 51.8,1361 70.382,1362 9,1364 3.577,1365 0.894,1366 0.483,1367 3.577,1368 1.933,1369 1.732,1370 0.577,1371 0.239,1372 0.678,1373 1.533,1374 0.676,1375 0.589,1376 1.732,1377 0.716,1378 1.732,1379 0.577,1380 0.113,1381 1.732,1382 0.338,1398 1.496,1399 11.836,1400 0.954,1401 2.894,1403 12,1404 107.197,1405 17.676,1406 98.408,1407 110.84,1408 86,1409 9,1410 63.512,1411 11.493,1412 62.168,1413 82.08,1414 56,1415 4.174}
{0 CHEMBL12547,1 1.4,2 19.688,3 7.476,4 55.891,5 144.367,6 6.327,7 0.303,8 4.357,9 4.493,10 3.844,11 3.89,12 5.209,13 3.778,14 4.955,15 5.179,16 4.071,17 4.261,18 5.691,19 4.097,20 5.149,21 5.39,22 4.046,23 4.35,24 5.838,25 4.133,26 5.268,27 5.579,28 4.024,29 4.367,30 5.84,31 4.11,32 5.092,33 5.346,34 3.889,35 4.266,36 5.769,37 4.05,38 5.118,39 5.403,40 3.799,41 4.262,42 5.698,43 3.999,44 4.99,45 5.267,46 3.801,47 4.184,48 5.569,49 3.919,50 5.035,51 5.333,52 3.644,53 4.154,54 5.573,55 3.87,56 0.093,57 1.046,58 20.869,59 8.388,60 12.178,61 11.223,62 0.297,63 1.679,64 41.645,65 14.081,66 23.012,67 18.315,68 0.514,69 1.846,70 48.252,71 17.113,72 32.25,73 22.139,74 0.299,75 1.989,76 52.596,77 19.05,78 29.775,79 24.616,80 0.407,81 1.704,82 44.989,83 15.923,84 30.362,85 20.356,86 0.313,87 1.778,88 47.059,89 16.463,90 23.953,91 21.666,92 0.233,93 1.577,94 40.525,95 15.342,96 19.532,97 19.497,98 0.307,99 1.613,100 47.768,101 16.157,102 20.826,103 19.768,104 25,105 40,106 0.22,107 0.401,108 0.593,109 0.639,110 0.678,111 0.695,112 3.5,113 1.312,114 -4.6,115 -4.52,116 -4.26,121 34.2,123 8,126 4,127 6,144 4,154 4,176 9,180 4,187 8,191 2,192 4,200 9,206 2,214 8,219 2,227 7,232 4,239 8,244 2,251 7,256 4,264 6,269 4,277 6,281 2248,282 21.518,283 21.518,284 21.518,285 21.518,286 21.518,287 20.33,288 23.523,289 13.877,290 22.153,291 16.416,292 16.416,293 16.416,294 16.416,295 16.416,296 14.572,297 29.993,298 6.806,299 17.36,300 4.848,301 3.696,302 2.481,303 2.185,304 1.934,305 1.829,306 4.172,312 1,313 1292,314 4.899,317 242.124,325 3.227,326 12.203,329 1,330 0.67,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.83,337 67,338 630,339 4.124,340 4.249,341 5.675,342 3.75,343 2.763,344 3.735,345 3.272,346 7.971,347 2.728,348 4.124,349 4.249,350 5.675,351 3.75,352 2.763,353 3.735,354 3.272,355 7.971,356 2.728,357 3.371,358 2.996,359 5.03,360 3.178,361 2.244,362 2.507,363 0.916,364 6.084,365 2.098,366 3.371,367 2.996,368 5.03,369 3.178,370 2.244,371 2.507,372 0.916,373 6.084,374 2.098,375 2.966,376 2.69,377 4.338,378 2.935,379 1.953,380 1.977,381 0.172,382 4.345,383 1.924,384 2.927,385 2.69,386 4.338,387 2.773,388 1.847,389 1.959,390 0.172,391 4.344,392 1.717,393 2.893,394 2.248,395 3.95,396 2.691,397 1.763,398 1.92,400 3.889,401 1.629,402 2.772,403 2.247,404 3.809,405 2.648,406 1.678,407 1.782,409 3.584,410 1.613,411 2.557,412 1.884,413 3.596,414 2.435,415 1.498,416 1.559,418 3.126,419 1.386,420 2.299,421 1.739,422 3.35,423 2.116,424 1.228,425 1.283,427 2.552,428 1.062,429 2.214,430 1.706,431 3.279,432 1.832,433 0.921,434 1.099,436 1.957,437 0.82,438 2.177,439 1.505,440 3.256,441 1.745,442 0.752,443 1.055,445 1.757,446 0.745,447 1.923,448 1.039,449 3.034,450 1.675,451 0.706,452 0.883,454 1.638,455 0.677,456 1.569,457 0.76,458 2.749,459 1.419,460 0.499,461 0.53,463 1.067,464 0.45,465 1.202,466 0.757,467 2.497,468 1.082,469 0.145,470 0.151,472 0.312,473 0.132,474 16.133,475 0.504,476 0.561,477 0.018,478 27,479 0.844,480 8,481 0.25,482 19,483 0.594,484 39.994,485 1.25,486 38.467,487 0.506,488 13.767,489 0.43,490 3.936,491 0.123,492 11.589,493 0.362,494 0.124,496 0.174,501 0.921,502 1.481,503 0.921,504 1.19,505 0.922,506 1.225,507 1.333,508 1.097,509 1.312,510 1.194,511 0.894,512 1.072,513 1.294,514 1.125,515 1.116,516 1.147,517 1.427,518 1.186,519 0.566,520 0.913,521 0.859,522 0.921,523 0.486,524 0.854,525 1.762,526 0.965,527 1.184,528 1.017,529 1.689,530 1.044,531 0.771,532 1.092,533 1.159,534 1.171,535 0.923,536 1.108,537 0.744,538 1.067,539 1.051,540 1.089,541 0.847,542 1.093,543 0.889,544 1.009,545 1.493,546 1.282,547 0.824,548 0.999,549 5.5,550 0.09,551 1.111,552 1.514,553 0.65,554 0.647,555 0.234,556 0.175,557 0.137,558 0.109,559 19911,560 40865,561 1.979,562 57.9,563 12,564 28,569 4,572 1.73,573 1.882,574 4.229,575 -0.805,582 106.416,583 1.4,584 2.552,585 3.767,586 4.063,587 4.313,588 4.419,589 3.625,590 3.875,591 4.974,592 4.47,593 2217.23,594 8.615,595 41388.6,600 474.842,601 1.199,602 4.945,603 0.167,604 0.004,605 0.028,606 0.046,607 0.019,608 0.021,609 0.009,610 0.007,611 0.006,612 0.005,613 0.311,614 0.17,615 0.75,616 1.031,617 181.976,618 0.068,619 -0.195,620 0.093,621 -0.04,622 0.096,623 -0.032,624 -0.088,625 0.082,626 -0.091,627 -0.047,628 0.127,629 -0.01,630 0.029,631 -0.099,632 -0.08,633 -0.103,634 -0.142,635 -0.156,636 0.111,637 0.027,638 0.143,639 0.079,640 0.254,641 0.123,642 -0.231,643 0.034,644 -0.118,645 0.018,646 -0.25,647 -0.042,648 -0.027,649 -0.092,650 -0.086,651 -0.106,652 -0.114,653 -0.093,654 -0.016,655 -0.07,656 -0.002,657 -0.02,658 -0.047,659 -0.063,660 -0.059,661 0.005,662 -0.144,663 -0.07,664 -0.027,665 0.017,666 0.619,667 2.367,668 0.313,669 49.25,670 0.981,671 1.131,672 3.372,673 11.372,674 0.634,675 3.526,676 3.714,677 3.784,678 3.97,679 3.912,680 3.932,681 3.912,682 3.714,683 3.689,684 3.664,685 11.651,686 0.565,687 480.86,688 3.526,689 4.99,690 5.746,691 6.55,692 7.324,693 8.137,694 8.923,695 9.74,696 10.536,697 11.356,698 2.6,701 2,715 4,718 2,720 4,722 10,741 76,743 10,745 33,747 77,748 26,749 8,756 2,757 2,770 8,772 8,773 18,792 2,793 44,794 4,796 6,797 2,802 2,808 1,809 2,828 2,855 2,859 2,860 2,862 2,864 4,868 32,876 14,879 2,881 2,893 2.6,898 2,901 17,902 14.4,903 7.417,904 4.806,907 1.396,908 1.202,909 0.918,910 14.757,911 8.317,912 3.664,913 4.052,914 4.404,915 4.876,916 4.854,917 4.931,918 4.972,919 4.632,920 4.623,921 4.613,922 0.923,923 33,924 11.907,926 4.596,927 0.026,929 7.323,931 24.147,933 18.944,936 1.823,937 58.333,941 517.928,942 185.811,943 6.249,945 19.015,947 64.439,948 121.372,949 536.943,950 6.249,951 33.586,952 28.086,953 37.905,955 25.263,956 21.795,957 582.368,959 517.928,960 127.621,961 19.015,962 64.439,964 470.844,965 66.099,968 34.335,969 93.286,971 64.439,972 517.928,973 25.263,974 185.811,977 517.928,978 114.321,979 77.739,981 19.015,982 517.928,983 25.263,984 185.811,986 0.545,987 0.272,988 0.148,989 0.073,990 12,991 6,992 0.247,993 19,995 1,996 4.831,997 226.83,999 10,1000 124,1001 2,1005 27.749,1006 17.017,1007 13.736,1009 25.263,1010 8.471,1013 11.734,1015 4.36,1018 729.003,1019 38,1031 74.567,1032 85.975,1034 0.224,1035 0.408,1036 0.603,1037 0.65,1038 0.69,1039 0.707,1040 4.84,1041 1.678,1042 5.645,1043 3.889,1044 4.394,1045 4.736,1046 3.847,1047 6.256,1048 4.302,1049 5.929,1050 1.498,1051 7.067,1052 3.584,1053 3.611,1054 4.205,1055 0.57,1056 6.676,1057 3.519,1058 7.139,1059 1.228,1060 8.58,1061 3.126,1062 5.784,1063 6.655,1064 6.135,1065 9.732,1066 5.639,1067 8.385,1068 0.921,1069 10.148,1070 2.552,1071 5.832,1072 7.09,1073 0.674,1074 11.046,1075 5.709,1076 9.67,1077 0.752,1078 11.754,1079 1.957,1080 7.41,1081 8.927,1082 8.5,1083 13.532,1084 7.238,1085 10.984,1086 0.706,1087 13.388,1088 1.757,1089 7.897,1090 9.825,1091 0.66,1092 15.246,1093 7.753,1094 12.321,1095 0.499,1096 15.042,1097 1.638,1098 9.191,1099 11.387,1100 10.87,1101 17.501,1102 9.007,1103 2.763,1104 0.145,1105 16.712,1106 1.067,1107 9.922,1108 12.507,1109 0.611,1110 19.404,1111 9.762,1112 2.763,1113 7.971,1114 18.393,1115 0.312,1116 11.074,1117 13.941,1118 13.241,1119 21.558,1120 10.882,1121 2.244,1122 7.971,1123 20.084,1124 3.735,1125 11.938,1126 15.165,1127 0.55,1128 23.551,1129 11.762,1130 2.244,1131 6.084,1132 21.781,1133 3.735,1134 13.019,1135 16.538,1136 15.613,1137 25.661,1138 12.819,1139 1.953,1140 6.084,1141 23.485,1142 2.507,1143 13.954,1144 17.811,1145 0.487,1146 27.696,1147 13.761,1148 1.847,1149 4.345,1150 25.193,1151 2.507,1152 15,1153 19.156,1154 17.984,1155 29.786,1156 14.788,1157 1.763,1158 4.344,1159 26.905,1160 1.977,1161 15.973,1162 20.452,1163 0.427,1164 31.842,1165 15.762,1166 19724,1167 28396,1168 21.841,1169 48.205,1170 46.432,1171 52.133,1172 46.485,1173 46.052,1174 46.003,1175 53.366,1176 17.445,1177 113.363,1178 43.611,1179 5.1,1180 6.161,1181 5.634,1182 4.848,1183 4.763,1184 6.346,1185 6.545,1186 13.548,1187 4.657,1188 16.858,1189 1.407,1190 1.58,1191 1.409,1192 1.396,1193 1.394,1194 1.617,1195 0.529,1196 3.435,1197 1.322,1198 3.97,1199 3.989,1200 4.007,1201 3.839,1202 5.044,1203 3.838,1204 3.93,1205 3.943,1206 3.97,1207 3.796,1208 5.024,1209 3.802,1210 3.797,1211 3.857,1212 3.737,1213 3.681,1214 4.279,1215 3.662,1216 3.649,1217 3.713,1218 3.726,1219 3.561,1220 4.267,1221 3.513,1222 3.554,1223 3.637,1224 3.563,1225 3.413,1226 4.219,1227 3.354,1228 3.536,1229 3.623,1230 3.379,1231 3.317,1232 4.068,1233 3.312,1234 3.431,1235 3.496,1236 3.359,1237 3.278,1238 3.885,1239 3.263,1240 3.215,1241 3.277,1242 3.273,1243 3.149,1244 3.693,1245 3.069,1246 0.125,1247 0.129,1248 0.172,1249 0.114,1250 0.084,1251 4.124,1252 0.113,1253 4.249,1254 0.099,1255 5.675,1256 0.242,1257 3.75,1258 0.083,1259 2.763,1260 3.735,1261 3.272,1262 7.971,1263 2.728,1264 1.815,1265 1.758,1266 2.056,1267 1.963,1268 1.428,1269 2.002,1270 1.691,1271 1.644,1272 1.921,1273 1.882,1274 1.295,1275 1.883,1276 1.647,1277 1.59,1278 1.869,1279 1.881,1280 1.107,1281 1.882,1282 1.646,1283 1.588,1284 1.867,1285 1.831,1286 1.033,1287 1.877,1288 1.575,1289 1.547,1290 1.737,1291 1.701,1292 1.033,1293 1.74,1294 1.524,1295 1.487,1296 1.689,1297 1.668,1298 0.957,1299 1.687,1300 1.409,1301 1.345,1302 1.667,1303 1.58,1304 0.888,1305 1.615,1306 1.303,1307 1.238,1308 1.542,1309 1.53,1310 0.758,1311 1.54,1312 4.205,1314 5.425,1315 3.045,1316 6.777,1317 5.283,1318 8.198,1319 7.248,1320 9.668,1322 8.284,1328 17.205,1331 4.003,1333 4.276,1340 42.909,1341 106.416,1342 193.965,1343 286.313,1344 308.803,1345 327.823,1346 335.823,1347 71.501,1348 6.921,1349 32.76,1350 83.36,1351 10,1352 11.943,1353 3.459,1354 2.585,1355 78.234,1356 230,1357 174,1358 0.155,1359 277.518,1360 477.88,1361 668.904,1362 12396,1364 23.02,1365 0.719,1366 0.699,1367 23.728,1368 22.369,1369 15.525,1370 0.47,1371 0.437,1372 12.194,1373 14.052,1374 11.466,1375 9.7,1376 16.525,1377 14.437,1378 13.169,1379 0.329,1380 0.284,1381 14.165,1382 11.356,1383 8.884,1384 0.207,1385 0.17,1386 9.996,1387 7.327,1388 7.277,1389 0.14,1390 0.104,1391 8.325,1392 5.425,1393 4.706,1394 0.096,1395 0.075,1396 5.698,1397 3.676,1398 0.271,1399 106.345,1400 0.214,1401 32.372,1402 0.363,1403 146,1404 350.482,1405 195.129,1406 373.986,1407 497.1,1408 354,1409 156,1410 322.105,1411 199.255,1412 347.595,1413 493.48,1414 318,1415 5.886}
{0 CHEMBL125578,1 1.313,2 10.1,3 2.241,4 5.021,5 83.818,6 5.966,7 0.286,8 3.866,9 4.014,10 3.239,11 3.371,12 4.767,13 3.3,14 4.467,15 4.699,16 3.524,17 3.763,18 5.276,19 3.654,20 4.753,21 5.006,22 3.517,23 3.946,24 5.515,25 3.782,26 4.883,27 5.181,28 3.328,29 3.922,30 5.551,31 3.699,32 4.814,33 5.148,34 3.288,35 3.806,36 5.398,37 3.593,38 4.604,39 4.887,40 3.257,41 3.743,42 5.31,43 3.555,44 4.617,45 4.912,46 3.056,47 3.647,48 5.351,49 3.42,50 4.454,51 4.794,52 2.739,53 3.338,54 5.145,55 3.096,56 0.051,57 0.645,58 11.387,59 4.444,60 6.675,61 6.604,62 0.217,63 1.038,64 20.46,65 6.977,66 17.159,67 10.825,68 0.215,69 1.265,70 26.521,71 9.636,72 24.547,73 14.462,74 0.241,75 1.297,76 29.219,77 10.618,78 29.255,79 15.97,80 0.23,81 1.176,82 26.822,83 9.377,84 24.041,85 14.456,86 0.193,87 1.036,88 22.32,89 8.432,90 17.541,91 12.466,92 0.174,93 0.966,94 22.269,95 8.355,96 24.686,97 12.304,98 0.247,99 0.759,100 18.735,101 6.164,102 26.879,103 9.526,104 14,105 27,106 0.231,107 0.495,108 0.714,109 0.775,110 0.807,111 0.807,112 3.055,113 1.09,114 -3.84,115 -3.8,116 -3.61,121 37,122 1,123 3,124 1,126 1,127 4,144 5,145 1,160 1,176 9,179 1,180 6,187 9,192 4,200 3,206 6,214 3,219 2,227 6,231 1,232 2,239 9,251 6,255 1,256 2,264 3,269 2,277 1,281 452,282 13.345,283 13.345,284 13.345,285 13.345,286 13.345,287 12.411,288 16.112,289 8.142,290 13.53,291 10.357,292 10.357,293 10.357,294 10.357,295 10.357,296 9.031,297 18.749,298 3.903,299 10.633,300 4.211,301 2.717,302 1.471,303 1.126,304 0.946,305 0.946,306 3.717,310 1,311 1,312 1,313 415,314 3.24,318 145.773,325 1.9,326 10.857,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 42,338 202,339 3.941,340 3.65,341 5.746,342 3.703,343 2.74,344 3.457,345 1.94,346 7.799,347 2.646,348 3.839,349 3.018,350 5.613,351 3.606,352 2.643,353 2.993,354 0.916,355 7.46,356 2.546,357 3.592,358 2.57,359 5.322,360 3.441,361 2.445,362 2.63,363 0.555,364 6.882,365 2.429,366 3.172,367 2.295,368 4.952,369 3.023,370 2.067,371 2.238,372 0.172,373 5.854,374 1.965,375 2.827,376 2.055,377 3.685,378 2.423,379 1.427,380 1.928,382 3.054,383 1.421,384 2.5,385 1.516,386 3.584,387 2.25,388 1.244,389 1.5,391 2.82,392 1.239,393 2.491,394 1.077,395 3.414,396 2,397 1,398 1.415,400 2.275,401 1,402 2,403 1,404 3.247,405 1.984,406 1,407 1,409 2.136,410 0.983,411 1.583,412 0.732,413 2.943,414 1.49,415 0.507,416 0.529,418 1.137,419 0.496,420 1.17,421 0.34,422 2.651,423 1.005,424 0.034,425 0.036,427 0.082,428 0.032,429 0.662,430 0.233,431 2,432 0.461,433 -0.523,434 -0.574,436 -1.179,437 -0.513,438 0.5,439 -0.344,440 1.949,441 0.099,442 -1,443 -1,445 -2,446 -0.946,447 0.44,448 -0.784,449 1.611,451 -1,452 -1.103,454 -2.347,455 -0.952,456 0.189,457 -0.788,458 1.555,459 -0.042,460 -1,461 -1.276,463 -2.512,464 -1,466 -0.99,467 1.32,468 -0.049,469 -1,470 -1.438,472 -3,473 -1.088,474 9.633,475 0.482,476 0.438,477 0.022,478 19.75,479 0.988,480 7.5,481 0.375,482 12.25,483 0.613,484 18.64,485 0.932,486 23.367,487 0.508,488 11.673,489 0.584,490 3.773,491 0.189,492 5.874,493 0.294,494 0.138,496 0.239,501 0.726,502 1.598,503 1.024,504 1.34,505 0.549,506 1.226,507 1.021,508 1.085,509 1.086,510 1.009,511 0.522,512 1.029,513 1.153,514 1.154,515 1.201,516 1.169,517 0.981,518 1.183,519 0.991,520 1.081,521 1.069,522 1.083,523 1.048,524 1.089,525 0.776,526 0.753,527 0.781,528 0.733,529 0.61,530 0.749,531 0.812,532 0.943,533 1.045,534 1.048,535 0.758,536 1.061,537 0.989,538 1.105,539 1.041,540 1.132,541 1.309,542 1.108,543 1.106,544 0.715,545 0.873,546 0.724,547 1.257,548 0.772,549 4,550 0.087,551 1.778,552 0.563,553 0.693,554 0.382,555 0.322,556 0.229,557 0.103,558 0.066,559 4073,560 8519,561 1.995,562 56.5,563 1,564 16,568 3,569 6,572 1.609,573 1.875,574 3.328,575 -0.836,577 1,582 60.386,583 1.313,584 2.807,585 4.053,586 4.398,587 4.578,588 4.578,589 2.746,590 2.771,591 4.291,592 3.495,593 664.076,594 7.289,595 7186.79,597 1,599 1,600 254.084,601 1.353,602 4.255,603 0.19,604 0.01,605 0.066,606 0.023,607 0.036,608 0.019,609 0.017,610 0.016,611 0.01,612 0.007,613 0.395,614 0.83,615 1,616 1.491,617 91.388,618 0.053,619 -0.27,620 0.056,621 -0.105,622 0.012,623 -0.04,624 0.019,625 0.105,626 -0.029,627 0.036,628 0.075,629 0.008,630 -0.137,631 -0.081,632 -0.19,633 -0.137,634 -0.048,635 -0.162,636 -0.071,637 -0.141,638 -0.112,639 -0.116,640 -0.084,641 -0.12,642 0.005,643 0.143,644 0.152,645 0.175,646 0.006,647 0.178,648 -0.004,649 0.064,650 -0.076,651 -0.045,652 -0.038,653 -0.062,654 -0.024,655 -0.195,656 -0.088,657 -0.152,658 -0.093,659 -0.133,660 0.058,661 0.128,662 0.079,663 0.137,664 -0.04,665 0.112,666 1.494,667 4.189,668 0.6,669 18.6,670 0.981,671 1.135,672 2.609,673 6.807,674 0.622,675 3.091,676 3.332,677 3.466,678 3.555,679 3.761,680 3.664,681 3.714,682 3.807,683 3.807,684 3.714,685 6.108,686 0.567,687 274.45,688 3.091,689 4.575,690 5.361,691 6.176,692 6.98,693 7.797,694 8.607,695 9.426,696 10.239,697 11.059,698 4.3,701 1,705 1,715 5,720 1,722 6,741 46,743 7,744 1,745 21,747 47,748 17,749 6,750 1,751 5,756 2,757 2,763 1,767 2,768 1,770 3,772 7,773 10,774 1,777 1,782 1,786 1,789 1,790 1,793 26,794 3,796 3,802 2,808 1,809 1,829 2,844 1,855 1,859 2,864 2,868 20,876 7,880 1,881 2,893 2.2,896 1,901 10.667,902 8.567,903 4.528,904 2.928,907 1.083,908 1.175,909 0.925,910 5.751,911 7.278,912 3.258,913 3.651,914 3.946,915 4.243,916 4.639,917 4.367,918 4.51,919 4.728,920 4.809,921 4.882,922 0.857,923 25,924 7.433,926 2.967,927 0.026,929 7.508,931 14.873,933 12.047,936 2.008,937 40.167,938 0.002,941 306.049,942 88.519,943 6.249,945 25.145,948 88.519,949 331.194,950 6.249,951 17.222,952 19.151,953 47.381,954 29.85,955 6.31,957 306.049,959 306.049,960 94.768,961 25.145,964 235.422,965 95.772,968 31.1,969 63.668,972 306.049,973 31.394,974 88.519,977 306.049,978 23.917,979 70.851,981 25.145,982 306.049,983 31.394,984 88.519,986 0.568,987 0.31,988 0.138,989 0.078,990 11,991 5,992 0.106,993 5,995 1,996 3.359,997 132.768,999 12,1000 78.439,1005 15.212,1006 7.561,1007 5.032,1009 31.394,1010 10.697,1015 1.405,1018 425.962,1019 25,1024 11.189,1028 0.173,1031 45.134,1032 52.188,1034 0.238,1035 0.508,1036 0.734,1037 0.796,1038 0.829,1039 0.829,1040 4.46,1041 1,1042 5.303,1043 2.275,1044 4.007,1045 4.331,1046 2.218,1047 5.974,1048 3.957,1049 5.569,1050 0.507,1051 6.783,1052 2.136,1053 3.434,1054 3.795,1055 1.738,1056 6.589,1057 3.34,1058 6.797,1059 0.034,1060 8.356,1061 1.137,1062 5.476,1063 6.168,1064 3.016,1065 9.557,1066 5.364,1067 8.046,1068 -0.523,1069 9.981,1070 0.082,1071 5.673,1072 6.351,1073 3.151,1074 10.933,1075 5.513,1076 9.323,1077 -1,1078 11.637,1079 -1.179,1080 7.182,1081 8.282,1082 4.143,1083 13.373,1084 7.006,1085 10.617,1086 -1,1087 13.314,1088 -2,1089 7.739,1090 8.796,1091 4.544,1092 15.07,1093 7.516,1094 11.923,1095 -1,1096 15.003,1097 -2.347,1098 8.999,1099 10.534,1100 5.384,1101 17.292,1102 8.759,1103 2.74,1104 -1,1105 16.701,1106 -2.512,1107 9.747,1108 11.235,1109 5.913,1110 19.148,1111 9.46,1112 2.643,1113 7.799,1114 18.406,1115 -3,1116 10.878,1117 12.859,1118 6.67,1119 21.269,1120 10.571,1121 2.445,1122 7.46,1123 20.116,1124 3.457,1125 11.73,1126 13.686,1127 7.263,1128 23.207,1129 11.379,1130 2.067,1131 6.882,1132 21.829,1133 2.993,1134 12.794,1135 15.227,1136 7.976,1137 25.281,1138 12.418,1139 1.427,1140 5.854,1141 23.545,1142 2.63,1143 13.706,1144 16.147,1145 8.603,1146 27.263,1147 13.287,1148 1.244,1149 3.054,1150 25.263,1151 2.238,1152 14.734,1153 17.624,1154 9.292,1155 29.314,1156 14.287,1157 1,1158 2.82,1159 26.983,1160 1.928,1161 15.679,1162 18.617,1163 9.936,1164 31.32,1165 15.191,1166 4124,1167 6001,1168 13.811,1169 28.603,1170 30.462,1171 30.641,1172 30.884,1173 30.233,1174 30.214,1175 35.45,1176 7.169,1177 78.997,1178 29.511,1179 4.941,1180 5.65,1181 5.548,1182 4.739,1183 4.74,1184 6.457,1185 3.348,1186 13.345,1187 4.646,1188 9.844,1189 1.451,1190 1.459,1191 1.471,1192 1.44,1193 1.439,1194 1.688,1195 0.341,1196 3.762,1197 1.405,1198 3.965,1199 4.015,1200 3.872,1201 3.873,1202 7.428,1203 3.867,1204 3.838,1205 3.883,1206 3.729,1207 3.732,1208 4.756,1209 3.722,1210 3.674,1211 3.738,1212 3.57,1213 3.445,1214 4.339,1215 3.466,1216 3.359,1217 3.431,1218 3.206,1219 3.172,1220 4.155,1221 3.17,1222 3.159,1223 3.251,1224 2.955,1225 2.972,1226 3.826,1227 2.955,1228 3.111,1229 3.206,1230 2.866,1231 2.941,1232 3.679,1233 2.91,1234 3.009,1235 3.11,1236 2.756,1237 2.809,1238 3.674,1239 2.78,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.567,1245 2.715,1246 0.188,1247 0.174,1248 0.274,1249 0.176,1250 0.13,1251 3.941,1252 0.165,1253 3.65,1254 0.092,1255 5.746,1256 0.371,1257 3.703,1258 0.126,1259 2.74,1260 3.457,1261 1.94,1262 7.799,1263 2.646,1264 1.934,1265 1.896,1266 2.102,1267 2.07,1268 1.483,1269 2.084,1270 1.843,1271 1.793,1272 2.016,1273 1.963,1274 1.168,1275 1.982,1276 1.604,1277 1.538,1278 1.834,1279 1.853,1280 1.036,1281 1.85,1282 1.344,1283 1.273,1284 1.641,1285 1.572,1286 0.825,1287 1.597,1288 1.17,1289 1.084,1290 1.532,1291 1.424,1292 0.775,1293 1.466,1294 1.153,1295 1.064,1296 1.513,1297 1.376,1298 0.655,1299 1.429,1300 1.049,1301 0.949,1302 1.414,1303 1.285,1304 0.575,1305 1.336,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.371,1311 1.107,1312 3.761,1314 5.017,1316 6.457,1318 7.968,1320 9.512,1322 3.537,1328 8.013,1332 0.781,1333 4.372,1340 26.079,1341 60.386,1342 129.116,1343 186.435,1344 202.309,1345 210.574,1346 210.574,1347 32.251,1348 6.194,1349 23.55,1350 23.55,1351 12,1352 11.642,1353 3,1354 2.322,1355 36.775,1356 76,1357 56,1358 0.247,1359 164.929,1360 287.27,1361 394.186,1362 3506,1364 14.372,1365 0.719,1366 0.636,1367 14.372,1368 12.717,1369 9.648,1370 0.459,1371 0.363,1372 7.55,1373 9.356,1374 7.272,1375 6.088,1376 9.648,1377 7.629,1378 8.425,1379 0.312,1380 0.22,1381 8.425,1382 5.934,1383 6.526,1384 0.211,1385 0.141,1386 6.526,1387 4.366,1388 4.482,1389 0.132,1390 0.083,1391 4.482,1392 2.809,1393 3.683,1394 0.088,1395 0.051,1396 3.683,1397 2.152,1398 0.398,1399 59.736,1400 0.269,1401 20.573,1402 0.647,1403 96,1404 221.026,1405 102.377,1406 215.677,1407 287.35,1408 202,1409 106,1410 199.214,1411 112.49,1412 205.553,1413 289.87,1414 191,1415 6.18}
{0 CHEMBL1255901,1 1.402,2 6.056,3 1.057,4 1.117,5 75.869,6 6.732,8 3.669,9 3.804,10 3.152,11 3.249,12 4.693,13 3.2,14 4.236,15 4.415,16 3.594,17 3.709,18 5.219,19 3.639,20 4.558,21 4.747,22 3.753,23 3.951,24 5.547,25 3.86,26 4.747,27 4.987,28 3.691,29 3.992,30 5.655,31 3.856,32 4.785,33 5.064,34 3.306,35 3.867,36 5.642,37 3.666,38 4.603,39 4.954,40 2.914,41 3.458,42 5.424,43 3.207,44 3.869,45 4.158,46 2.14,47 2.729,48 4.898,49 2.524,50 3.404,51 3.789,52 1.49,53 2.022,54 4.22,55 1.745,56 0.043,57 0.521,58 8.235,59 3.454,60 8.263,61 4.824,62 0.111,63 0.871,64 14.961,65 6.301,66 16.012,67 8.897,68 0.138,69 1.184,70 21.036,71 8.231,72 26.179,73 11.728,74 0.188,75 1.353,76 25.97,77 9.858,78 33.644,79 14.396,80 0.263,81 1.314,82 27.789,83 9.602,84 46.798,85 14.376,86 0.24,87 0.937,88 23.872,89 8.517,90 46.264,91 12.723,92 0.175,93 0.45,94 11.564,95 3.47,96 30.926,97 5.007,98 0.075,99 0.237,100 7.296,101 2.408,102 15.637,103 3.577,104 18,105 31,106 0.258,107 0.641,108 0.802,109 0.873,110 0.873,111 0.873,112 2.965,113 0.96,114 -3.53,115 -3.5,116 -3.34,121 41.7,122 2,123 2,124 1,132 1,137 4,138 3,140 1,160 1,165 1,166 1,167 1,176 10,180 1,183 1,185 6,187 14,189 3,192 1,197 6,200 14,203 4,206 2,210 1,211 8,213 1,214 16,216 5,219 1,224 2,227 8,232 3,234 1,235 1,237 2,239 4,244 2,256 2,281 296,282 11.867,283 11.867,284 11.867,285 11.867,286 11.867,287 10.666,288 17.096,289 6.614,290 11.908,291 9.797,292 9.797,293 9.797,294 9.797,295 9.797,296 8.064,297 23.076,298 3.022,299 9.865,300 3.768,301 1.689,302 0.82,303 0.431,304 0.431,305 0.431,306 3.633,311 1,312 1,313 232,314 2.646,318 95.642,320 40.675,322 53.911,324 64.36,325 0.963,326 16.387,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 38,338 109,339 4.821,340 4.101,341 7.922,342 4.647,343 3.661,344 4.127,345 1.345,346 14.911,347 3.61,348 4.021,349 3.479,350 6.179,351 3.635,352 2.649,353 3.343,354 1.081,355 8.703,356 2.61,357 3.663,358 2.892,359 5.812,360 3.434,361 2.443,362 2.866,363 0.68,364 7.983,365 2.419,366 3.484,367 2.713,368 5.112,369 3.136,370 2.133,371 2.67,372 0.639,373 6,374 2.138,375 3.389,376 2.565,377 4.948,378 3.014,379 1.995,380 2.436,381 0.473,382 5.647,383 2.022,384 2.691,385 1.483,386 4.286,387 2.234,388 1.254,389 1.574,391 3.446,392 1.226,393 2.343,394 1.375,395 3.876,396 1.984,397 0.99,398 1.198,400 2.261,401 0.983,402 1.531,403 0.765,404 3.259,405 1.132,406 0.128,407 0.154,409 0.359,410 0.128,411 1.061,412 0.442,413 2.975,414 0.868,415 -0.134,416 -0.141,418 -0.223,419 -0.134,420 0.877,421 0.393,422 2.668,423 0.691,424 -0.327,425 -0.418,427 -0.812,428 -0.328,429 0.587,430 -0.029,431 2.457,432 0.476,433 -0.502,434 -0.513,436 -1.433,437 -0.491,438 0.376,439 -0.399,440 2.333,441 0.172,442 -0.815,443 -0.918,445 -2.179,446 -0.801,447 0.186,448 -0.706,449 2.177,450 -0.125,451 -1.158,452 -1.364,454 -3.196,455 -1.19,457 -0.998,458 1.927,459 -0.328,460 -1.313,461 -1.485,463 -3.808,464 -1.286,465 -0.266,466 -1.048,467 1.467,468 -0.48,469 -1.459,470 -1.68,471 -0.335,472 -4.695,473 -1.447,474 8.633,475 0.48,476 0.63,477 0.035,478 17.5,479 0.972,480 6.5,481 0.361,482 11,483 0.611,484 18.051,485 1.003,486 19.567,487 0.544,488 11.256,489 0.625,490 3.263,491 0.181,492 5.279,493 0.293,494 0.201,495 0.058,496 0.347,501 0.809,502 1.06,503 0.903,504 0.963,505 0.747,506 0.935,507 0.457,508 1.093,509 0.752,510 0.98,511 0.479,512 0.912,513 0.952,514 1.222,515 1.064,516 1.139,517 0.884,518 1.115,519 0.7,520 1.192,521 1.032,522 1.159,523 0.628,524 1.133,525 1.039,526 1.054,527 1.265,528 1.144,529 0.967,530 1.204,531 0.555,532 0.725,533 0.652,534 0.77,535 0.602,536 0.734,537 2.266,538 0.842,539 1.388,540 0.968,541 2.278,542 1.073,543 1.007,544 0.466,545 0.463,546 0.515,547 1.153,548 0.454,549 5.5,551 3.111,552 2.375,553 1.631,554 0.826,555 0.223,556 0.146,559 2254,560 5185,561 2.04,562 50,563 7,564 4,567 3,569 4,572 1.598,573 1.846,574 2.588,575 1.088,577 1,579 1,582 50.455,583 1.402,584 3.481,585 4.35,586 4.739,587 4.739,588 4.739,589 2.224,590 3.642,591 4.141,592 2.674,593 409.179,594 7.083,595 3662.13,596 1,597 1,600 186.117,601 1.772,602 4.059,603 0.275,605 0.1,606 0.068,607 0.053,608 0.046,609 0.019,610 0.036,613 0.597,614 1,615 1,616 0.946,617 72.565,618 -0.091,619 0.15,620 0.025,621 0.124,622 -0.118,623 0.097,624 0.196,625 0.005,626 0.177,627 0.091,628 0.115,629 0.123,630 -0.097,631 -0.124,632 -0.118,633 -0.108,634 -0.066,635 -0.115,636 0.02,637 -0.173,638 -0.087,639 -0.168,640 0.033,641 -0.146,642 -0.168,643 -0.076,644 -0.3,645 -0.211,646 -0.16,647 -0.256,648 0.248,649 0.058,650 0.326,651 0.155,652 0.219,653 0.235,654 -0.361,655 0.032,656 -0.326,657 -0.097,658 -0.29,659 -0.189,660 0.201,661 0.198,662 0.566,663 0.364,664 0.233,665 0.486,666 1.708,667 4.454,668 0.722,669 9.21,670 0.989,671 1.126,672 2.298,673 5.283,674 0.654,675 3.045,676 3.466,677 3.807,678 4.174,679 4.431,680 4.605,681 4.615,682 4.71,683 4.522,684 4.443,685 3.758,686 0.61,687 242.35,688 3.045,689 4.635,690 5.533,691 6.482,692 7.402,693 8.357,694 9.284,695 10.242,696 11.17,697 12.129,698 5.6,699 1,705 1,741 36,743 5,745 20,747 38,748 15,752 5,756 3,757 6,763 2,767 2,768 2,770 2,772 9,773 6,774 2,777 5,782 1,784 4,786 5,790 1,793 18,794 3,795 3,796 3,802 2,808 0.333,809 1,829 3,831 1,833 1,835 1,843 1,849 5,850 3,851 1,859 1,864 2,868 18,869 1,876 2,877 1,880 1,882 1,893 2.8,896 1,901 9.75,902 6.917,903 3.847,904 2.201,907 1.319,908 1.195,909 0.976,910 2.44,911 8.081,912 3.258,913 3.829,914 4.331,915 4.836,916 5.298,917 5.617,918 5.775,919 6.023,920 6.031,921 6.114,922 1,923 35,924 6.692,926 2.954,927 0.026,929 7.69,931 13.019,933 11.43,936 2.19,937 39.417,938 0.002,941 176.567,942 77.643,943 50.908,945 25.145,948 77.643,949 201.711,950 50.908,951 17.65,952 55.977,953 37.905,954 32.606,955 9.557,957 176.567,959 176.567,960 128.551,961 25.145,964 129.482,965 72.229,968 73.627,969 14.261,970 40.662,972 176.567,973 76.053,974 77.643,977 176.567,978 22.087,979 55.555,980 18.011,981 58.042,982 176.567,983 76.053,984 77.643,986 0.602,987 0.37,988 0.22,989 0.12,990 18,991 8,994 3,995 1.385,996 2.828,997 143.645,998 0.462,999 12,1000 75.059,1005 11.638,1006 3.774,1007 1.587,1009 76.053,1017 50.908,1018 330.262,1019 25,1024 11.454,1026 7.9,1028 4.668,1031 35.6,1032 40.528,1034 0.271,1035 0.673,1036 0.841,1037 0.917,1038 0.917,1039 0.917,1040 4.585,1041 0.128,1042 5.609,1043 2.261,1044 4.143,1045 4.511,1046 2.148,1047 6.589,1048 4.127,1049 5.841,1050 -0.134,1051 7.283,1052 0.359,1053 4.111,1054 4.511,1055 0.747,1056 8.052,1057 4.079,1058 7.211,1059 -0.327,1060 9.075,1061 -0.223,1062 5.948,1063 6.637,1064 2.236,1065 11.214,1066 5.907,1067 8.612,1068 -0.502,1069 10.944,1070 -0.812,1071 6.698,1072 7.378,1073 1.313,1074 13.518,1075 6.636,1076 10.046,1077 -0.815,1078 12.864,1079 -1.433,1080 8.131,1081 9.055,1082 2.516,1083 16.337,1084 8.058,1085 11.504,1086 -1.158,1087 14.822,1088 -2.179,1089 9.216,1090 10.146,1091 1.919,1092 18.921,1093 9.123,1094 12.984,1095 -1.313,1096 16.809,1097 -3.196,1098 10.535,1099 11.651,1100 2.891,1101 21.655,1102 10.43,1103 3.661,1104 -1.459,1105 18.816,1106 -3.808,1107 11.752,1108 12.913,1109 2.541,1110 24.321,1111 11.63,1112 2.649,1113 14.911,1114 20.839,1115 -4.695,1116 13.046,1117 14.354,1118 3.327,1119 27.033,1120 12.91,1121 2.443,1122 8.703,1123 22.873,1124 4.127,1125 14.312,1126 15.696,1127 3.164,1128 29.724,1129 14.162,1130 2.133,1131 7.983,1132 24.916,1133 3.343,1134 15.604,1135 17.116,1136 3.807,1137 32.429,1138 15.439,1139 1.995,1140 6,1141 26.966,1142 2.866,1143 16.889,1144 18.496,1145 3.782,1146 35.128,1147 16.71,1148 1.254,1149 5.647,1150 29.021,1151 2.67,1152 18.182,1153 19.91,1154 4.32,1155 37.831,1156 17.989,1157 0.99,1158 3.446,1159 31.079,1160 2.436,1161 19.474,1162 21.307,1163 4.395,1164 40.532,1165 19.268,1166 2294,1167 3539,1168 12.83,1169 23.557,1170 31.886,1171 31.515,1172 33.187,1173 30.515,1174 30.503,1175 36.735,1176 8.436,1177 98.619,1178 30.274,1179 5.786,1180 6.007,1181 7.416,1182 5.686,1183 5.661,1184 6.872,1185 2.463,1186 23.514,1187 5.61,1188 9.565,1189 1.594,1190 1.576,1191 1.659,1192 1.526,1193 1.525,1194 1.837,1195 0.422,1196 4.931,1197 1.514,1198 4.07,1199 4.101,1200 4.013,1201 4,1202 7.43,1203 3.999,1204 3.699,1205 3.735,1206 3.632,1207 3.581,1208 5.041,1209 3.587,1210 3.449,1211 3.515,1212 3.301,1213 3.338,1214 4.535,1215 3.321,1216 3.254,1217 3.332,1218 3.093,1219 3.112,1220 4.363,1221 3.096,1222 3.201,1223 3.281,1224 3.068,1225 3.001,1226 4.179,1227 3.008,1228 2.833,1229 2.926,1230 2.702,1231 2.641,1232 3.839,1233 2.619,1234 2.821,1235 2.881,1236 2.608,1237 2.54,1238 3.555,1239 2.578,1240 2.647,1241 2.781,1242 2.319,1243 2.363,1244 3.285,1245 2.332,1246 0.241,1247 0.205,1248 0.396,1249 0.232,1250 0.183,1251 4.821,1252 0.206,1253 4.101,1254 0.067,1255 7.922,1256 0.746,1257 4.647,1258 0.181,1259 3.661,1260 4.127,1261 1.345,1262 14.911,1263 3.61,1264 2.038,1265 2.011,1266 2.147,1267 2.132,1268 1.465,1269 2.138,1270 1.666,1271 1.633,1272 1.811,1273 1.82,1274 0.948,1275 1.816,1276 1.476,1277 1.416,1278 1.751,1279 1.643,1280 0.84,1281 1.684,1282 1.27,1283 1.202,1284 1.559,1285 1.467,1286 0.788,1287 1.498,1288 1.164,1289 1.092,1290 1.462,1291 1.437,1292 0.566,1293 1.454,1294 0.84,1295 0.758,1296 1.177,1297 1.096,1298 0.295,1299 1.134,1300 0.728,1301 0.663,1302 1.083,1303 1.053,1304 0.165,1305 1.06,1306 0.638,1307 0.524,1308 0.952,1309 0.971,1311 0.986,1312 3.714,1314 5.106,1316 6.725,1318 8.466,1320 10.271,1322 4.187,1326 6.676,1328 1.684,1329 2.949,1332 0.333,1334 -0.434,1340 21.972,1341 50.455,1342 125.309,1343 156.608,1344 170.608,1345 170.608,1346 170.608,1347 28.994,1348 6.762,1349 58.88,1350 58.88,1351 18,1352 12.618,1353 2.585,1354 2.585,1355 25.402,1356 41,1357 42,1358 0.339,1359 135.423,1360 248.57,1361 322.193,1362 6120,1364 12.914,1365 0.717,1366 0.599,1367 12.914,1368 10.787,1369 8.542,1370 0.427,1371 0.32,1372 6.359,1373 8.379,1374 6.103,1375 5.073,1376 8.542,1377 6.399,1378 8.346,1379 0.269,1380 0.175,1381 8.346,1382 5.431,1383 7.047,1384 0.16,1385 0.095,1386 7.047,1387 4.174,1388 6.708,1389 0.105,1390 0.056,1391 6.708,1392 3.572,1393 5.107,1394 0.062,1395 0.029,1396 5.107,1397 2.446,1398 0.482,1399 52.487,1400 0.279,1401 17.09,1402 1.098,1403 102,1404 227.381,1405 107.628,1406 227.864,1407 316.22,1408 212,1409 126,1410 237.735,1411 131.158,1412 245.451,1413 363.77,1414 231,1415 7.73}
{0 CHEMBL1256415,1 1.429,2 6.765,3 2.774,4 7.693,5 68.201,6 6.919,7 0.579,8 3.597,9 3.721,10 3.115,11 3.161,12 4.632,13 3.126,14 4.144,15 4.32,16 3.468,17 3.569,18 5.081,19 3.509,20 4.376,21 4.587,22 3.569,23 3.705,24 5.311,25 3.626,26 4.392,27 4.618,28 3.41,29 3.641,30 5.355,31 3.531,32 4.352,33 4.615,34 3.166,35 3.503,36 5.248,37 3.35,38 4.158,39 4.431,40 2.793,41 3.253,42 4.931,43 3.069,44 3.926,45 4.225,46 2.338,47 2.89,48 4.654,49 2.684,50 3.526,51 3.832,52 1.787,53 2.409,54 4.137,55 2.182,56 0.034,57 0.473,58 7.409,59 3.14,60 6.736,61 4.252,62 0.096,63 0.765,64 13.615,65 5.481,66 11.178,67 7.507,68 0.124,69 0.963,70 17.564,71 6.526,72 16.092,73 9.353,74 0.174,75 0.976,76 18.097,77 6.288,78 23.38,79 9.202,80 0.252,81 0.87,82 17.899,83 6.237,84 27.966,85 9.247,86 0.123,87 0.675,88 14.804,89 5.486,90 17.149,91 7.899,92 0.138,93 0.507,94 12.099,95 4.023,96 16.133,97 5.89,98 0.11,99 0.301,100 8.268,101 2.862,102 9.626,103 3.999,104 6,105 27,106 0.268,107 0.641,108 0.777,109 0.838,110 0.861,111 0.861,112 2.911,113 0.954,114 -3.13,115 -3.13,116 -3.01,121 42.4,123 4,126 1,144 3,145 2,146 2,148 2,165 1,166 1,167 1,176 6,180 6,185 2,187 7,189 2,192 6,197 2,200 6,203 2,206 1,208 1,209 1,211 3,214 5,216 3,218 1,219 1,221 1,222 1,224 2,227 7,229 2,232 1,239 4,244 2,251 1,256 1,281 242,282 11.732,283 11.732,284 11.732,285 11.732,286 11.732,287 10.419,288 11.352,289 6.825,290 11.975,291 9.31,292 9.31,293 9.31,294 9.31,295 9.31,296 7.204,297 8.038,298 3.155,299 9.625,300 3.615,301 1.623,302 0.894,303 0.568,304 0.447,305 0.447,306 3.59,311 1,312 1,313 250,314 2,318 87.353,322 96.563,325 1.073,326 11.444,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 36,338 115,339 4.64,340 3.345,341 6.777,342 4.198,343 3.217,344 4.577,345 0.86,346 11.076,347 3.154,348 3.995,349 2.875,350 6.013,351 3.609,352 2.631,353 3.528,355 8.527,356 2.576,357 3.528,358 2.484,359 5.283,360 3.133,361 2.187,362 2.908,364 6.478,365 2.062,366 3.47,367 2.239,368 5.221,369 3.04,370 2.083,371 2.821,373 6.331,374 1.985,375 2.596,376 1.525,377 4.136,378 2.419,379 1.427,380 1.63,382 3.384,383 1.414,384 2.501,385 1.402,386 3.694,387 2.253,388 1.256,389 1.501,391 3.063,392 1.251,393 1.973,394 1.101,395 3.455,396 1.76,397 0.783,398 0.907,400 1.875,401 0.763,402 1.732,403 0.915,404 3.034,405 1.434,406 0.559,407 0.63,409 0.974,410 0.484,411 1.271,412 0.224,413 2.706,414 0.927,420 0.924,421 -0.262,422 2.517,423 0.565,424 -0.401,425 -0.495,427 -0.927,428 -0.384,429 0.591,430 -0.586,431 2.148,432 0.151,433 -0.831,434 -0.914,436 -2.013,437 -0.81,438 0.282,439 -0.694,440 2,441 0.138,442 -0.843,443 -1.146,445 -2.416,446 -0.825,447 0.148,448 -0.887,449 1.614,450 -0.146,451 -1.107,452 -1.325,454 -2.879,455 -1.05,456 -0.186,457 -1.246,458 1.512,459 -0.529,460 -1.479,461 -1.882,463 -4.104,464 -1.378,465 -0.461,466 -1.382,467 1.266,468 -0.699,469 -1.62,470 -1.926,472 -4.567,473 -1.525,474 8.133,475 0.478,476 0.38,477 0.022,478 21.75,479 1.279,480 11,481 0.647,482 10.75,483 0.632,484 12.427,485 0.731,486 18.267,487 0.554,488 12.697,489 0.747,490 4.01,491 0.236,492 4.282,493 0.252,494 0.111,496 0.369,501 0.944,502 1.124,503 0.859,504 1.022,505 1.066,506 0.938,507 1.099,508 1.078,509 0.849,510 0.945,511 0.749,512 0.89,513 0.957,514 1.168,515 0.898,516 0.996,517 0.849,518 0.947,519 1.022,520 1.177,521 1.159,522 1.137,523 1.299,524 1.147,525 0.743,526 0.945,527 1.075,528 1.029,529 1.125,530 1.07,531 0.954,532 1.046,533 1.085,534 1.128,535 1.013,536 1.127,537 1.297,538 0.832,539 1.146,540 0.972,541 1.321,542 1.027,543 1.67,544 0.729,545 1.06,546 0.858,547 0.98,548 0.912,549 3,551 2,552 1.25,553 1.391,554 0.438,555 0.22,556 0.075,557 0.033,558 0.016,559 2187,560 4736,561 2.127,562 48.5,563 6,564 6,567 2,568 2,572 1.574,573 2,574 2.775,575 0.353,577 1,578 1,579 1,582 47.162,583 1.429,584 3.421,585 4.15,586 4.476,587 4.597,588 4.597,589 2.257,590 3.97,591 4.06,592 2.809,593 382.074,594 6.888,595 3292.31,596 1,597 1,599 1,600 166.465,601 1.379,602 4.023,603 0.158,605 0.074,606 0.043,607 0.06,608 0.026,609 0.02,610 0.012,611 0.011,612 0.016,613 0.42,614 1,615 1,616 0.844,617 68.188,618 -0.052,619 0.041,620 0.05,621 0.041,622 -0.081,623 0.06,624 -0.062,625 -0.03,626 0.095,627 0.091,628 0.071,629 0.104,630 -0.04,631 -0.122,632 0.054,633 -0.007,634 0.064,635 0.025,636 -0.083,637 -0.106,638 -0.201,639 -0.192,640 -0.123,641 -0.206,642 0.144,643 0.045,644 -0.107,645 -0.087,646 0.014,647 -0.116,648 -0.051,649 -0.146,650 -0.118,651 -0.161,652 -0.086,653 -0.149,654 -0.145,655 0.051,656 -0.138,657 -0.055,658 -0.252,659 -0.083,660 -0.16,661 0.026,662 -0.017,663 0.084,664 -0.089,665 0.048,666 0.832,667 2.268,668 0.824,669 8.955,670 0.991,671 1.125,672 1.904,673 3.626,674 0.66,675 2.996,676 3.332,677 3.664,678 3.951,679 4.248,680 4.304,681 4.394,682 4.466,683 4.511,684 4.22,685 3.97,686 0.62,687 228.32,688 2.996,689 4.533,690 5.407,691 6.301,692 7.195,693 8.097,694 8.997,695 9.901,696 10.804,697 11.71,698 6.1,702 1,708 1,714 2,715 3,716 1,720 4,722 11,733 1,739 1,741 33,743 11,744 1,745 19,747 35,748 14,749 9,750 3,751 3,756 3,757 6,767 4,770 4,772 9,773 5,790 1,793 16,794 3,795 2,796 3,802 2,808 0.333,809 1,822 1,829 3,833 2,859 1,864 1,868 17,869 1,876 4,878 1,893 3,898 1,901 8.5,902 6.2,903 3.778,904 2.086,907 2.406,908 1.363,909 1.018,910 2.578,911 9.031,912 3.239,913 3.902,914 4.575,915 5.218,916 5.865,917 6.227,918 6.6,919 6.949,920 7.263,921 7.023,922 0.8,923 29,924 6.283,926 2.668,927 0.026,929 7.529,931 12.354,933 10.43,936 2.029,937 34.5,938 0.004,941 164.795,942 68.11,943 49.683,945 11,948 68.11,949 175.795,950 49.683,951 10.883,952 10.138,953 61.326,954 16.786,955 29.659,957 164.795,959 164.795,960 117.792,961 11,964 164.795,965 11,968 15.039,969 85.968,970 16.786,972 164.795,973 60.683,974 68.11,977 164.795,978 28.798,979 39.312,981 60.683,982 164.795,983 60.683,984 68.11,986 0.58,987 0.36,988 0.2,989 0.116,990 15,991 6,992 0.029,993 1,994 2,995 1.286,996 2.903,997 126.171,998 0.286,999 14,1000 67.487,1005 10.696,1006 4.097,1007 1.718,1008 1.994,1009 60.683,1010 5.899,1011 4.716,1015 4.161,1017 32.897,1018 293.588,1019 24.5,1031 32.716,1032 37.112,1034 0.283,1035 0.678,1036 0.823,1037 0.887,1038 0.911,1039 0.911,1040 4.474,1041 0.559,1042 5.398,1043 1.875,1044 4.007,1045 4.585,1046 0.908,1047 6.248,1048 3.949,1049 5.698,1051 6.98,1052 0.974,1053 3.611,1054 4.559,1056 7.217,1057 3.526,1058 7.032,1059 -0.401,1060 8.664,1062 5.631,1063 6.914,1064 0.739,1065 10.353,1066 5.529,1067 8.409,1068 -0.831,1069 10.409,1070 -0.927,1071 6.066,1072 7.717,1074 12.137,1075 5.938,1076 9.819,1077 -0.843,1078 12.191,1079 -2.013,1080 7.554,1081 9.564,1082 0.593,1083 14.803,1084 7.416,1085 11.252,1086 -1.107,1087 13.999,1088 -2.416,1089 8.379,1090 10.746,1092 16.929,1093 8.219,1094 12.703,1095 -1.479,1096 15.826,1097 -2.879,1098 9.658,1099 12.396,1100 0.469,1101 19.432,1102 9.487,1103 3.217,1104 -1.62,1105 17.668,1106 -4.104,1107 10.667,1108 13.759,1110 21.709,1111 10.475,1112 2.631,1113 11.076,1114 19.52,1115 -4.567,1116 11.866,1117 15.329,1118 0.366,1119 24.151,1120 11.661,1121 2.187,1122 8.527,1123 21.382,1124 4.577,1125 12.959,1126 16.776,1128 26.496,1129 12.735,1130 2.083,1131 6.478,1132 23.252,1133 3.528,1134 14.131,1135 18.315,1136 0.283,1137 28.914,1138 13.89,1139 1.427,1140 6.331,1141 25.127,1142 2.908,1143 15.262,1144 19.801,1146 31.29,1147 15.002,1148 1.256,1149 3.384,1150 27.009,1151 2.821,1152 16.426,1153 21.328,1154 0.217,1155 33.698,1156 16.149,1157 0.783,1158 3.063,1159 28.894,1160 1.63,1161 17.575,1162 22.832,1164 36.089,1165 17.278,1166 2162,1167 3259,1168 12.83,1169 21.796,1170 28.242,1171 28.925,1172 29.753,1173 28.28,1174 28.287,1175 37.002,1176 1.72,1177 83.416,1178 27.38,1179 5.585,1180 5.345,1181 6.458,1182 5.239,1183 5.217,1184 7.577,1185 1.72,1186 18.61,1187 5.154,1188 6.621,1189 1.486,1190 1.522,1191 1.566,1192 1.488,1193 1.489,1194 1.947,1195 0.091,1196 4.39,1197 1.441,1198 4.109,1199 4.136,1200 4.073,1201 4.035,1202 5.149,1203 4.041,1204 3.743,1205 3.786,1206 3.639,1207 3.651,1208 4.836,1209 3.642,1210 3.366,1211 3.422,1212 3.237,1213 3.186,1214 4.599,1215 3.189,1216 3.21,1217 3.289,1218 3.077,1219 3.002,1220 4.203,1221 3.008,1222 3.078,1223 3.165,1224 2.874,1225 2.874,1226 3.877,1227 2.859,1228 2.899,1229 2.996,1230 2.694,1231 2.729,1232 3.676,1233 2.711,1234 2.704,1235 2.822,1236 2.469,1237 2.497,1238 3.419,1239 2.48,1240 2.608,1241 2.676,1242 2.457,1243 2.355,1244 3.207,1245 2.37,1246 0.244,1247 0.176,1248 0.357,1249 0.221,1250 0.169,1251 4.64,1252 0.241,1253 3.345,1254 0.045,1255 6.777,1256 0.583,1257 4.198,1258 0.166,1259 3.217,1260 4.577,1261 0.86,1262 11.076,1263 3.154,1264 2.066,1265 2.043,1266 2.148,1267 2.159,1268 1.428,1269 2.157,1270 1.752,1271 1.711,1272 1.936,1273 1.88,1274 1.14,1275 1.901,1276 1.316,1277 1.265,1278 1.588,1279 1.572,1280 0.754,1281 1.576,1282 1.181,1283 1.109,1284 1.485,1285 1.439,1286 0.623,1287 1.457,1288 1.092,1289 1.006,1290 1.412,1291 1.318,1292 0.544,1293 1.358,1294 0.9,1295 0.826,1296 1.172,1297 1.154,1298 0.247,1299 1.17,1300 0.667,1301 0.577,1302 1.059,1303 0.986,1304 0.091,1305 1.022,1306 0.615,1307 0.508,1308 0.905,1309 0.822,1311 0.86,1312 3.664,1314 4.99,1316 6.55,1318 8.216,1320 9.937,1322 1.67,1326 6.268,1328 4.554,1330 5.238,1340 20.445,1341 47.162,1342 112.901,1343 136.955,1344 147.71,1345 151.71,1346 151.71,1347 19.453,1348 6.625,1349 48.14,1350 48.14,1351 18,1352 12.228,1353 3.585,1354 2.7,1355 23.597,1356 42,1357 42,1358 0.307,1359 125.831,1360 209.47,1361 298.787,1362 5543,1364 11.828,1365 0.696,1366 0.588,1367 11.828,1368 9.993,1369 8.292,1370 0.436,1371 0.318,1372 5.977,1373 8.04,1374 5.813,1375 4.822,1376 8.292,1377 6.043,1378 7.314,1379 0.271,1380 0.168,1381 7.314,1382 4.541,1383 6.658,1384 0.175,1385 0.092,1386 6.658,1387 3.513,1388 5.594,1389 0.11,1390 0.05,1391 5.594,1392 2.566,1393 4.814,1394 0.07,1395 0.028,1396 4.814,1397 1.925,1398 0.45,1399 51.564,1400 0.279,1401 16.589,1402 0.938,1403 92,1404 226.693,1405 97.959,1406 221.927,1407 313.98,1408 210,1409 111,1410 239.207,1411 117.155,1412 245.232,1413 360.62,1414 231,1415 4.824}
{0 CHEMBL1257412,1 1.205,2 16.032,3 9.22,4 85.001,5 133.578,6 5.663,7 0.333,8 4.342,9 4.489,10 3.665,11 3.872,12 5.156,13 3.784,14 4.96,15 5.184,16 3.932,17 4.276,18 5.671,19 4.136,20 5.266,21 5.556,22 4.015,23 4.418,24 5.903,25 4.245,26 5.26,27 5.547,28 3.971,29 4.407,30 5.907,31 4.228,32 5.261,33 5.55,34 3.934,35 4.409,36 5.891,37 4.217,38 5.267,39 5.557,40 3.853,41 4.394,42 5.865,43 4.188,44 5.274,45 5.577,46 3.735,47 4.335,48 5.852,49 4.114,50 5.199,51 5.506,52 3.603,53 4.241,54 5.75,55 4.008,56 0.096,57 1.017,58 18.992,59 7.953,60 11.128,61 11.434,62 0.207,63 1.666,64 33.174,65 13.202,66 20.914,67 19.292,68 0.282,69 2.069,70 42.679,71 16.249,72 28.948,73 24.321,74 0.321,75 2.074,76 42.681,77 15.974,78 29.711,79 24.035,80 0.382,81 2.046,82 42.483,83 16.431,84 30.522,85 24.42,86 0.266,87 2.021,88 42.243,89 16.737,90 25.667,91 24.624,92 0.309,93 1.95,94 42.097,95 16.184,96 26.706,97 23.87,98 0.28,99 1.768,100 38.627,101 15.212,102 23.698,103 22.171,104 22,105 41,106 0.189,107 0.397,108 0.572,109 0.689,110 0.754,111 0.806,112 3.471,113 1.188,114 -7.17,115 -6.96,116 -6.44,121 37.3,122 1,123 16,126 1,127 1,144 3,145 2,146 2,148 2,176 18,180 6,185 3,187 18,192 6,197 3,200 16,206 1,209 1,211 4,214 16,218 1,219 1,222 1,224 3,227 19,232 2,237 1,239 18,244 4,249 1,251 16,256 3,261 1,264 14,269 2,274 1,277 13,281 2038,282 21.794,283 21.794,284 21.794,285 21.794,286 21.794,287 20.534,288 16.096,289 13.999,290 22.085,291 16.296,292 16.296,293 16.296,294 16.296,295 16.296,296 14.197,297 17.059,298 6.673,299 16.676,300 5.024,301 3.703,302 2.588,303 1.839,304 1.427,305 1.1,306 4.164,312 1,313 1053,314 4.243,318 230.165,322 263.483,325 2.352,326 11.695,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 64,338 497,339 4.654,340 3.372,341 6.837,342 4.218,343 3.239,344 4.585,345 0.86,346 11.382,347 3.172,348 3.998,349 2.876,350 6.013,351 3.61,352 2.632,353 3.532,354 0.4,355 8.528,356 2.576,357 3.53,358 2.514,359 5.387,360 3.171,361 2.218,362 2.924,364 6.725,365 2.109,366 3.519,367 2.326,368 5.221,369 3.091,370 2.148,371 2.847,373 6.478,374 2.016,375 2.958,376 1.961,377 4.136,378 2.953,379 1.954,380 1.959,382 3.915,383 1.952,384 2.837,385 1.855,386 3.982,387 2.823,388 1.826,389 1.841,391 3.67,392 1.821,393 2.664,394 1.703,395 3.914,396 2.622,397 1.629,398 1.686,400 3.384,401 1.618,402 2.588,403 1.543,404 3.78,405 2.424,406 1.434,407 1.605,409 3.313,410 1.418,411 2.506,412 1.409,413 3.623,414 2.36,415 1.369,416 1.506,418 3.071,419 1.355,420 2.38,421 1.39,422 3.532,423 2.253,424 1.256,425 1.378,427 2.767,428 1.251,429 2.122,430 1.156,431 3.294,432 2.076,433 1.093,434 1.115,436 2.268,437 1.073,438 1.932,439 1.101,440 3.082,441 1.82,442 0.83,443 0.887,445 1.731,446 0.82,447 1.784,448 0.884,449 2.957,450 1.592,451 0.639,452 0.711,454 1.234,455 0.601,456 1.594,457 0.625,458 2.73,459 1.437,460 0.516,461 0.548,463 0.916,464 0.473,465 1.346,466 0.341,467 2.626,468 1.221,469 0.255,470 0.269,472 0.461,473 0.246,474 15.133,475 0.488,476 0.342,477 0.011,478 29,479 0.935,480 11,481 0.355,482 18,483 0.581,484 37.637,485 1.214,486 36.467,487 0.486,488 16.223,489 0.523,490 4.155,491 0.134,492 11.175,493 0.36,494 0.066,496 0.198,501 0.948,502 1.38,503 1.119,504 1.291,505 0.884,506 1.226,507 1.172,508 1.278,509 1.132,510 1.202,511 0.922,512 1.172,513 0.909,514 1.036,515 0.889,516 0.938,517 0.808,518 0.914,519 0.971,520 1.037,521 0.998,522 0.989,523 1.022,524 0.987,525 0.745,526 1.005,527 0.998,528 1.006,529 0.833,530 1.011,531 0.872,532 1.086,533 1.044,534 1.091,535 0.917,536 1.078,537 1.229,538 0.978,539 1.064,540 1.01,541 1.199,542 1.023,543 1.232,544 0.966,545 1.034,546 0.997,547 1.122,548 1.008,549 3,550 0.078,551 2,552 1.25,553 1.431,554 0.583,555 0.442,556 0.236,557 0.156,558 0.113,559 14969,560 22698,561 2.069,562 58.7,563 31,564 8,567 1,568 2,569 2,572 1.729,573 2,574 3.831,575 -0.488,582 90.34,583 1.205,584 2.526,585 3.641,586 4.39,587 4.802,588 5.128,589 3.281,590 4.89,591 4.914,592 4.095,593 1904.12,594 8.551,595 30184.2,600 467.161,601 1.033,602 4.915,603 0.091,604 0.004,605 0.049,606 0.028,607 0.035,608 0.015,609 0.013,610 0.008,611 0.006,612 0.005,613 0.253,614 0.5,615 0.75,616 2.748,617 167.447,618 0.047,619 -0.058,620 0.051,621 -0.017,622 0.145,623 0.013,624 -0.029,625 -0.13,626 -0.046,627 -0.081,628 0.124,629 -0.069,630 0.055,631 -0.011,632 0.117,633 0.061,634 0.183,635 0.087,636 0.03,637 0.013,638 0.02,639 0.004,640 0.036,641 0.01,642 0.159,643 0.03,644 0.006,645 -0.004,646 0.101,647 -0.007,648 -0.008,649 -0.074,650 -0.053,651 -0.082,652 -0.02,653 -0.071,654 -0.08,655 -0.004,656 -0.073,657 -0.042,658 -0.124,659 -0.054,660 -0.075,661 -0.025,662 -0.057,663 -0.03,664 -0.098,665 -0.041,666 0.751,667 1.988,668 0.452,669 42.78,670 0.974,671 1.132,672 5.942,673 35.304,674 0.619,675 3.526,676 3.738,677 3.989,678 4.248,679 4.533,680 4.635,681 4.771,682 4.883,683 4.956,684 4.836,685 9.048,686 0.558,687 424.74,688 3.526,689 5.004,690 5.82,691 6.661,692 7.513,693 8.379,694 9.252,695 10.135,696 11.022,697 11.916,698 2.7,703 1,708 1,714 2,715 3,716 1,720 4,722 11,734 1,739 1,741 75,743 11,744 1,745 33,747 77,748 28,749 9,750 3,751 3,756 3,757 6,763 1,767 4,770 16,772 9,773 19,793 44,794 3,795 1,796 3,802 2,808 0.333,809 1,822 1,829 3,833 2,859 1,864 2,868 31,876 17,877 1,878 1,893 1.3,898 1,901 15.5,902 13.617,903 7.361,904 5.69,907 2.402,908 1.315,909 0.947,910 10.822,911 10.021,912 3.676,913 4.151,914 4.727,915 5.336,916 5.972,917 6.349,918 6.746,919 7.111,920 7.429,921 7.316,922 1,923 44,924 11.578,926 4.634,927 0.026,929 7.258,931 23.808,933 19.626,936 1.758,937 54.5,941 506.157,942 109.455,943 34.796,945 11,948 109.455,949 517.157,950 34.796,951 19.708,952 42.658,953 28.429,954 34.796,955 29.659,957 506.157,959 506.157,960 144.251,961 11,964 482.615,965 34.542,968 56.384,969 53.071,970 34.796,972 506.157,973 45.796,974 109.455,977 506.157,978 61.318,979 48.137,980 18.011,981 27.785,982 506.157,983 45.796,984 109.455,986 0.538,987 0.307,988 0.17,989 0.098,990 15,991 6,992 0.195,993 15,994 2,995 1.286,996 4.489,997 250.087,998 0.286,999 14,1000 151.58,1005 24.206,1006 13.86,1007 7.578,1008 2.317,1009 45.796,1010 6.291,1011 4.97,1015 4.993,1017 18.011,1018 661.408,1019 38.5,1031 73.087,1032 84.925,1034 0.193,1035 0.406,1036 0.585,1037 0.705,1038 0.771,1039 0.823,1040 4.866,1041 1.434,1042 5.727,1043 3.384,1044 4.419,1045 4.836,1046 1.029,1047 6.469,1048 4.373,1049 5.982,1050 1.369,1051 7.225,1052 3.313,1053 3.611,1054 4.559,1056 7.286,1057 3.526,1058 7.246,1059 1.256,1060 8.841,1061 3.071,1062 5.905,1063 7.001,1064 0.763,1065 10.471,1066 5.815,1067 8.563,1068 1.093,1069 10.539,1070 2.767,1071 6.089,1072 7.727,1074 12.261,1075 5.957,1076 9.932,1077 0.83,1078 12.292,1079 2.268,1080 7.718,1081 9.596,1082 0.597,1083 14.94,1084 7.584,1085 11.336,1086 0.639,1087 14.085,1088 1.731,1089 8.42,1090 10.761,1092 17.107,1093 8.252,1094 12.769,1095 0.516,1096 15.905,1097 1.234,1098 9.763,1099 12.416,1100 0.47,1101 19.623,1102 9.588,1103 3.239,1104 0.255,1105 17.745,1106 0.916,1107 10.723,1108 13.777,1110 21.943,1111 10.52,1112 2.632,1113 11.382,1114 19.601,1115 0.461,1116 11.951,1117 15.349,1118 0.367,1119 24.403,1120 11.736,1121 2.218,1122 8.528,1123 21.468,1124 4.585,1125 13.029,1126 16.798,1128 26.786,1129 12.791,1130 2.148,1131 6.725,1132 23.344,1133 3.532,1134 14.215,1135 18.338,1136 0.283,1137 29.227,1138 13.961,1139 1.954,1140 6.478,1141 25.227,1142 2.924,1143 15.346,1144 19.827,1146 31.636,1147 15.07,1148 1.826,1149 3.915,1150 27.116,1151 2.847,1152 16.519,1153 21.354,1154 0.217,1155 34.071,1156 16.225,1157 1.629,1158 3.67,1159 29.011,1160 1.959,1161 17.673,1162 22.861,1164 36.492,1165 17.357,1166 14749,1167 18567,1168 22.534,1169 46.455,1170 45.826,1171 46.6,1172 47.739,1173 46.068,1174 46.076,1175 54.789,1176 2.52,1177 119.685,1178 45.002,1179 5.626,1180 5.372,1181 6.826,1182 5.26,1183 5.239,1184 7.585,1185 1.72,1186 18.916,1187 5.172,1188 11.459,1189 1.389,1190 1.412,1191 1.447,1192 1.396,1193 1.396,1194 1.66,1195 0.076,1196 3.627,1197 1.364,1198 4.118,1199 4.147,1200 4.081,1201 4.042,1202 5,1203 4.048,1204 3.832,1205 3.896,1206 3.669,1207 3.716,1208 4.648,1209 3.696,1210 3.744,1211 3.794,1212 3.639,1213 3.651,1214 4.29,1215 3.641,1216 3.725,1217 3.785,1218 3.554,1219 3.6,1220 4.225,1221 3.579,1222 3.601,1223 3.677,1224 3.42,1225 3.459,1226 4.196,1227 3.439,1228 3.447,1229 3.528,1230 3.272,1231 3.284,1232 4.116,1233 3.268,1234 3.341,1235 3.4,1236 3.185,1237 3.168,1238 3.972,1239 3.16,1240 3.245,1241 3.329,1242 3.068,1243 3.038,1244 3.873,1245 3.034,1246 0.141,1247 0.102,1248 0.207,1249 0.128,1250 0.098,1251 4.654,1252 0.139,1253 3.372,1254 0.026,1255 6.837,1256 0.345,1257 4.218,1258 0.096,1259 3.239,1260 4.585,1261 0.86,1262 11.382,1263 3.172,1264 2.069,1265 2.046,1266 2.152,1267 2.163,1268 1.449,1269 2.161,1270 1.833,1271 1.773,1272 2.08,1273 1.986,1274 1.433,1275 2.022,1276 1.753,1277 1.711,1278 2.013,1279 1.917,1280 1.359,1281 1.953,1282 1.751,1283 1.688,1284 1.937,1285 1.88,1286 1.229,1287 1.901,1288 1.625,1289 1.554,1290 1.904,1291 1.808,1292 1.148,1293 1.844,1294 1.462,1295 1.385,1296 1.765,1297 1.669,1298 1.052,1299 1.705,1300 1.316,1301 1.256,1302 1.611,1303 1.557,1304 0.865,1305 1.573,1306 1.233,1307 1.154,1308 1.575,1309 1.491,1310 0.756,1311 1.526,1312 4.205,1314 5.442,1316 6.893,1318 8.468,1320 10.125,1322 4.034,1328 22.6,1329 3.807,1330 5.488,1340 41.82,1341 90.34,1342 189.472,1343 273.072,1344 329.213,1345 360.142,1346 384.632,1347 56.117,1348 7.618,1349 34.15,1350 34.15,1351 18,1352 12.445,1353 3.585,1354 2.7,1355 58.952,1356 162,1357 225,1358 0.168,1359 260.124,1360 451.67,1361 626.462,1362 24268,1364 21.728,1365 0.701,1366 0.649,1367 21.728,1368 20.108,1369 15.33,1370 0.465,1371 0.396,1372 12.989,1373 15.044,1374 12.654,1375 10.666,1376 15.33,1377 13.065,1378 12.151,1379 0.296,1380 0.227,1381 12.151,1382 9.318,1383 10.048,1384 0.19,1385 0.128,1386 10.048,1387 6.801,1388 8.172,1389 0.118,1390 0.071,1391 8.172,1392 4.911,1393 6.917,1394 0.075,1395 0.039,1396 6.917,1397 3.625,1398 0.279,1399 93.958,1400 0.211,1401 30.349,1402 0.421,1403 148,1404 287.714,1405 154.653,1406 282.768,1407 401.46,1408 270,1409 168,1410 302.052,1411 174.988,1412 309.069,1413 452.29,1414 293,1415 4.337}
{0 CHEMBL1257413,1 1.214,2 15.233,3 8.763,4 76.797,5 128.977,6 5.704,7 0.344,8 4.304,9 4.45,10 3.634,11 3.834,12 5.125,13 3.749,14 4.92,15 5.143,16 3.905,17 4.238,18 5.638,19 4.102,20 5.222,21 5.509,22 3.99,23 4.38,24 5.869,25 4.211,26 5.216,27 5.501,28 3.945,29 4.369,30 5.873,31 4.193,32 5.217,33 5.503,34 3.907,35 4.37,36 5.857,37 4.182,38 5.223,39 5.51,40 3.824,41 4.355,42 5.829,43 4.152,44 5.23,45 5.531,46 3.702,47 4.294,48 5.816,49 4.075,50 5.152,51 5.458,52 3.565,53 4.196,54 5.711,55 3.965,56 0.092,57 0.979,58 18.204,59 7.606,60 10.806,61 10.935,62 0.202,63 1.603,64 31.875,65 12.631,66 20.407,67 18.469,68 0.274,69 1.991,70 41.035,71 15.532,72 28.299,73 23.287,74 0.313,75 1.996,76 41.034,77 15.253,78 29.119,79 22.997,80 0.374,81 1.968,82 40.846,83 15.711,84 29.929,85 23.387,86 0.258,87 1.944,88 40.624,89 16.026,90 25.098,91 23.6,92 0.303,93 1.873,94 40.52,95 15.48,96 26.261,97 22.859,98 0.274,99 1.69,100 37.06,101 14.513,102 23.255,103 21.165,104 21,105 40,106 0.192,107 0.407,108 0.588,109 0.708,110 0.774,111 0.824,112 3.439,113 1.178,114 -6.97,115 -6.78,116 -6.27,121 37.5,122 1,123 15,126 1,127 1,144 3,145 2,146 2,148 2,176 17,180 6,185 3,187 17,192 6,197 3,200 15,206 1,209 1,211 4,214 15,218 1,219 1,222 1,224 3,227 18,232 2,237 1,239 17,244 4,249 1,251 15,256 3,261 1,264 13,269 2,274 1,277 12,281 1876,282 21.087,283 21.087,284 21.087,285 21.087,286 21.087,287 19.827,288 16.096,289 13.499,290 21.378,291 15.796,292 15.796,293 15.796,294 15.796,295 15.796,296 13.697,297 17.059,298 6.423,299 16.176,300 4.956,301 3.598,302 2.458,303 1.697,304 1.284,305 0.965,306 4.132,312 1,313 969,314 4.123,318 217.768,322 249.268,325 2.202,326 11.653,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 62,338 457,339 4.654,340 3.372,341 6.837,342 4.218,343 3.239,344 4.585,345 0.86,346 11.382,347 3.172,348 3.998,349 2.876,350 6.013,351 3.61,352 2.632,353 3.532,354 0.4,355 8.528,356 2.576,357 3.53,358 2.514,359 5.387,360 3.171,361 2.218,362 2.924,364 6.725,365 2.109,366 3.519,367 2.326,368 5.221,369 3.091,370 2.148,371 2.847,373 6.478,374 2.016,375 2.952,376 1.955,377 4.136,378 2.946,379 1.947,380 1.953,382 3.902,383 1.945,384 2.815,385 1.838,386 3.98,387 2.798,388 1.801,389 1.82,391 3.626,392 1.795,393 2.637,394 1.672,395 3.903,396 2.572,397 1.581,398 1.668,400 3.384,401 1.567,402 2.566,403 1.513,404 3.753,405 2.421,406 1.43,407 1.573,409 3.242,410 1.416,411 2.501,412 1.404,413 3.607,414 2.283,415 1.297,416 1.501,418 3.033,419 1.278,420 2.31,421 1.341,422 3.486,423 2.253,424 1.256,425 1.308,427 2.639,428 1.251,429 2.049,430 1.101,431 3.216,432 1.984,433 1,434 1.034,436 2.096,437 0.982,438 1.88,439 1.067,440 3.057,441 1.733,442 0.746,443 0.817,445 1.53,446 0.735,447 1.723,448 0.789,449 2.862,450 1.51,451 0.597,452 0.657,454 1.094,455 0.537,456 1.485,457 0.506,458 2.706,459 1.365,460 0.414,461 0.436,463 0.734,464 0.393,465 1.26,466 0.232,467 2.533,468 1.086,469 0.124,470 0.133,472 0.231,473 0.119,474 14.633,475 0.488,476 0.342,477 0.011,478 28.5,479 0.95,480 11,481 0.367,482 17.5,483 0.583,484 35.708,485 1.19,486 35.167,487 0.488,488 16.089,489 0.536,490 4.155,491 0.138,492 10.675,493 0.356,494 0.068,496 0.205,501 0.944,502 1.376,503 1.107,504 1.284,505 0.88,506 1.217,507 1.172,508 1.269,509 1.12,510 1.19,511 0.92,512 1.16,513 0.913,514 1.038,515 0.886,516 0.936,517 0.812,518 0.911,519 0.976,520 1.04,521 1,522 0.989,523 1.03,524 0.988,525 0.747,526 1.006,527 1,528 1.007,529 0.837,530 1.013,531 0.876,532 1.09,533 1.048,534 1.096,535 0.923,536 1.083,537 1.237,538 0.978,539 1.069,540 1.011,541 1.21,542 1.025,543 1.244,544 0.966,545 1.037,546 0.998,547 1.134,548 1.009,549 3,550 0.078,551 2,552 1.25,553 1.431,554 0.583,555 0.442,556 0.236,557 0.156,558 0.113,559 13328,560 20453,561 2.071,562 58.3,563 29,564 8,567 1,568 2,569 2,572 1.722,573 2,574 3.762,575 -0.481,582 87.375,583 1.214,584 2.572,585 3.712,586 4.472,587 4.886,588 5.205,589 3.178,590 4.707,591 4.866,592 4.017,593 1747.22,594 8.462,595 26594.9,600 444.235,601 1.053,602 4.867,603 0.094,604 0.004,605 0.05,606 0.029,607 0.036,608 0.015,609 0.013,610 0.008,611 0.006,612 0.005,613 0.26,614 0.5,615 0.75,616 2.647,617 159.53,618 0.046,619 -0.06,620 0.052,621 -0.017,622 0.142,623 0.013,624 -0.029,625 -0.126,626 -0.039,627 -0.074,628 0.124,629 -0.062,630 0.053,631 -0.012,632 0.119,633 0.063,634 0.181,635 0.089,636 0.027,637 0.013,638 0.018,639 0.003,640 0.03,641 0.009,642 0.159,643 0.031,644 0.003,645 -0.006,646 0.097,647 -0.009,648 -0.01,649 -0.078,650 -0.058,651 -0.087,652 -0.025,653 -0.076,654 -0.084,655 -0.004,656 -0.078,657 -0.044,658 -0.13,659 -0.057,660 -0.078,661 -0.026,662 -0.061,663 -0.031,664 -0.104,665 -0.044,666 0.752,667 1.983,668 0.467,669 39.84,670 0.975,671 1.132,672 5.743,673 32.987,674 0.621,675 3.497,676 3.714,677 3.97,678 4.234,679 4.522,680 4.625,681 4.762,682 4.875,683 4.949,684 4.828,685 8.585,686 0.56,687 410.71,688 3.497,689 4.977,690 5.796,691 6.64,692 7.495,693 8.364,694 9.24,695 10.125,696 11.014,697 11.909,698 2.8,703 1,708 1,714 2,715 3,716 1,720 4,722 11,734 1,739 1,741 72,743 11,744 1,745 32,747 74,748 27,749 9,750 3,751 3,756 3,757 6,763 1,767 4,770 15,772 9,773 18,793 42,794 3,795 1,796 3,802 2,808 0.333,809 1,822 1,829 3,833 2,859 1,864 2,868 30,876 16,877 1,878 1,893 1.4,898 1,901 15,902 13.117,903 7.111,904 5.44,907 2.406,908 1.318,909 0.949,910 10.122,911 9.974,912 3.651,913 4.135,914 4.718,915 5.332,916 5.969,917 6.347,918 6.745,919 7.111,920 7.428,921 7.316,922 0.9,923 43,924 11.2,926 4.491,927 0.026,929 7.267,931 22.991,933 18.959,936 1.767,937 53,941 482.615,942 106.92,943 34.796,945 11,948 106.92,949 493.615,950 34.796,951 19.708,952 40.124,953 28.429,954 34.796,955 29.659,957 482.615,959 482.615,960 141.717,961 11,964 459.073,965 34.542,968 53.85,969 53.071,970 34.796,972 482.615,973 45.796,974 106.92,977 482.615,978 58.783,979 48.137,980 18.011,981 27.785,982 482.615,983 45.796,984 106.92,986 0.539,987 0.309,988 0.171,989 0.1,990 15,991 6,992 0.189,993 14,994 2,995 1.286,996 4.37,997 241.608,998 0.286,999 14,1000 147.207,1005 23.226,1006 13.074,1007 7.053,1008 2.316,1009 45.796,1010 6.286,1011 4.966,1015 4.99,1017 18.011,1018 635.332,1019 37.5,1031 70.203,1032 81.51,1034 0.197,1035 0.417,1036 0.602,1037 0.725,1038 0.792,1039 0.844,1040 4.842,1041 1.43,1042 5.707,1043 3.384,1044 4.394,1045 4.82,1046 1.029,1047 6.457,1048 4.348,1049 5.964,1050 1.297,1051 7.21,1052 3.242,1053 3.611,1054 4.559,1056 7.286,1057 3.526,1058 7.233,1059 1.256,1060 8.831,1061 3.033,1062 5.889,1063 6.996,1064 0.763,1065 10.468,1066 5.796,1067 8.553,1068 1,1069 10.532,1070 2.639,1071 6.089,1072 7.727,1074 12.261,1075 5.957,1076 9.925,1077 0.746,1078 12.288,1079 2.096,1080 7.709,1081 9.595,1082 0.597,1083 14.939,1084 7.574,1085 11.332,1086 0.597,1087 14.082,1088 1.53,1089 8.42,1090 10.761,1092 17.107,1093 8.252,1094 12.766,1095 0.414,1096 15.903,1097 1.094,1098 9.759,1099 12.416,1100 0.47,1101 19.623,1102 9.583,1103 3.239,1104 0.124,1105 17.744,1106 0.734,1107 10.723,1108 13.777,1110 21.943,1111 10.52,1112 2.632,1113 11.382,1114 19.6,1115 0.231,1116 11.949,1117 15.349,1118 0.367,1119 24.403,1120 11.734,1121 2.218,1122 8.528,1123 21.467,1124 4.585,1125 13.029,1126 16.798,1128 26.786,1129 12.791,1130 2.148,1131 6.725,1132 23.344,1133 3.532,1134 14.215,1135 18.338,1136 0.283,1137 29.227,1138 13.96,1139 1.947,1140 6.478,1141 25.227,1142 2.924,1143 15.346,1144 19.827,1146 31.636,1147 15.07,1148 1.801,1149 3.902,1150 27.116,1151 2.847,1152 16.519,1153 21.354,1154 0.217,1155 34.071,1156 16.224,1157 1.581,1158 3.626,1159 29.011,1160 1.953,1161 17.673,1162 22.861,1164 36.492,1165 17.357,1166 13148,1167 16655,1168 21.841,1169 44.694,1170 44.603,1171 45.374,1172 46.393,1173 44.834,1174 44.858,1175 53.576,1176 2.52,1177 117.248,1178 43.782,1179 5.623,1180 5.372,1181 6.824,1182 5.26,1183 5.239,1184 7.585,1185 1.72,1186 18.916,1187 5.172,1188 11.169,1189 1.394,1190 1.418,1191 1.45,1192 1.401,1193 1.402,1194 1.674,1195 0.079,1196 3.664,1197 1.368,1198 4.118,1199 4.146,1200 4.081,1201 4.042,1202 5,1203 4.048,1204 3.827,1205 3.891,1206 3.664,1207 3.71,1208 4.648,1209 3.69,1210 3.743,1211 3.786,1212 3.638,1213 3.651,1214 4.288,1215 3.641,1216 3.712,1217 3.781,1218 3.539,1219 3.584,1220 4.22,1221 3.563,1222 3.573,1223 3.65,1224 3.391,1225 3.426,1226 4.195,1227 3.406,1228 3.412,1229 3.49,1230 3.247,1231 3.243,1232 4.099,1233 3.232,1234 3.323,1235 3.384,1236 3.159,1237 3.142,1238 3.94,1239 3.132,1240 3.207,1241 3.291,1242 3.03,1243 3.008,1244 3.869,1245 3.009,1246 0.145,1247 0.105,1248 0.214,1249 0.132,1250 0.101,1251 4.654,1252 0.143,1253 3.372,1254 0.027,1255 6.837,1256 0.356,1257 4.218,1258 0.099,1259 3.239,1260 4.585,1261 0.86,1262 11.382,1263 3.172,1264 2.069,1265 2.046,1266 2.152,1267 2.163,1268 1.446,1269 2.161,1270 1.83,1271 1.769,1272 2.077,1273 1.983,1274 1.432,1275 2.019,1276 1.752,1277 1.711,1278 2.001,1279 1.905,1280 1.344,1281 1.942,1282 1.738,1283 1.673,1284 1.936,1285 1.88,1286 1.199,1287 1.901,1288 1.595,1289 1.523,1290 1.879,1291 1.784,1292 1.143,1293 1.82,1294 1.419,1295 1.342,1296 1.725,1297 1.633,1298 1.002,1299 1.668,1300 1.294,1301 1.236,1302 1.587,1303 1.546,1304 0.801,1305 1.56,1306 1.199,1307 1.12,1308 1.546,1309 1.448,1310 0.752,1311 1.486,1312 4.174,1314 5.416,1316 6.872,1318 8.453,1320 10.115,1322 4.031,1328 21.127,1329 3.802,1330 5.483,1340 40.294,1341 87.375,1342 185.198,1343 267.229,1344 322.015,1345 351.812,1346 374.751,1347 52.653,1348 7.569,1349 34.15,1350 34.15,1351 18,1352 12.437,1353 3.585,1354 2.7,1355 55.926,1356 147,1357 210,1358 0.175,1359 250.531,1360 434.37,1361 603.056,1362 22326,1364 21.02,1365 0.701,1366 0.647,1367 21.02,1368 19.401,1369 14.83,1370 0.463,1371 0.393,1372 12.489,1373 14.544,1374 12.163,1375 10.25,1376 14.83,1377 12.565,1378 11.797,1379 0.295,1380 0.224,1381 11.797,1382 8.965,1383 9.798,1384 0.188,1385 0.126,1386 9.798,1387 6.551,1388 7.995,1389 0.118,1390 0.07,1391 7.995,1392 4.734,1393 6.792,1394 0.075,1395 0.038,1396 6.792,1397 3.5,1398 0.289,1399 90.958,1400 0.214,1401 29.394,1402 0.444,1403 144,1404 283.714,1405 150.653,1406 278.606,1407 395.7,1408 266,1409 164,1410 298.052,1411 170.988,1412 304.908,1413 446.53,1414 289,1415 4}
{0 CHEMBL1257525,1 1.223,2 14.414,3 8.307,4 69.01,5 124.376,6 5.749,7 0.355,8 4.264,9 4.41,10 3.603,11 3.795,12 5.093,13 3.712,14 4.878,15 5.099,16 3.878,17 4.199,18 5.605,19 4.066,20 5.176,21 5.461,22 3.965,23 4.34,24 5.833,25 4.176,26 5.17,27 5.452,28 3.918,29 4.329,30 5.838,31 4.158,32 5.171,33 5.455,34 3.879,35 4.33,36 5.821,37 4.146,38 5.177,39 5.462,40 3.794,41 4.315,42 5.793,43 4.114,44 5.185,45 5.484,46 3.668,47 4.25,48 5.779,49 4.034,50 5.103,51 5.407,52 3.525,53 4.148,54 5.669,55 3.92,56 0.088,57 0.94,58 17.412,59 7.258,60 10.477,61 10.436,62 0.195,63 1.54,64 30.569,65 12.059,66 19.89,67 17.642,68 0.266,69 1.913,70 39.379,71 14.813,72 27.632,73 22.247,74 0.305,75 1.918,76 39.373,77 14.529,78 28.513,79 21.951,80 0.366,81 1.89,82 39.196,83 14.988,84 29.321,85 22.348,86 0.251,87 1.866,88 38.993,89 15.312,90 24.516,91 22.57,92 0.297,93 1.796,94 38.935,95 14.775,96 25.813,97 21.843,98 0.268,99 1.613,100 35.485,101 13.812,102 22.809,103 20.156,104 20,105 39,106 0.195,107 0.419,108 0.605,109 0.728,110 0.794,111 0.843,112 3.407,113 1.168,114 -6.77,115 -6.59,116 -6.1,121 37.7,122 1,123 14,126 1,127 1,144 3,145 2,146 2,148 2,176 16,180 6,185 3,187 16,192 6,197 3,200 14,206 1,209 1,211 4,214 14,218 1,219 1,222 1,224 3,227 17,232 2,237 1,239 16,244 4,249 1,251 14,256 3,261 1,264 12,269 2,274 1,277 11,281 1715,282 20.38,283 20.38,284 20.38,285 20.38,286 20.38,287 19.12,288 16.096,289 12.999,290 20.67,291 15.296,292 15.296,293 15.296,294 15.296,295 15.296,296 13.197,297 17.059,298 6.173,299 15.676,300 4.885,301 3.488,302 2.323,303 1.551,304 1.138,305 0.833,306 4.099,312 1,313 887,314 4,318 205.592,322 235.282,325 2.067,326 11.606,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 60,338 418,339 4.654,340 3.372,341 6.837,342 4.218,343 3.239,344 4.585,345 0.86,346 11.382,347 3.172,348 3.998,349 2.876,350 6.013,351 3.61,352 2.632,353 3.532,354 0.4,355 8.528,356 2.576,357 3.53,358 2.514,359 5.387,360 3.171,361 2.218,362 2.924,364 6.725,365 2.109,366 3.519,367 2.326,368 5.221,369 3.091,370 2.148,371 2.847,373 6.478,374 2.016,375 2.945,376 1.949,377 4.136,378 2.938,379 1.939,380 1.946,382 3.887,383 1.936,384 2.789,385 1.817,386 3.978,387 2.768,388 1.772,389 1.796,391 3.572,392 1.764,393 2.621,394 1.637,395 3.891,396 2.512,397 1.523,398 1.654,400 3.384,401 1.506,402 2.533,403 1.483,404 3.722,405 2.419,406 1.426,407 1.535,409 3.176,410 1.414,411 2.488,412 1.402,413 3.593,414 2.253,415 1.256,416 1.488,418 2.976,419 1.251,420 2.229,421 1.271,422 3.425,423 2.193,424 1.209,425 1.226,427 2.488,428 1.188,429 1.984,430 1.101,431 3.138,432 1.889,433 0.903,434 0.953,436 1.903,437 0.889,438 1.824,439 0.97,440 3.024,441 1.639,442 0.67,443 0.748,445 1.326,446 0.644,447 1.643,448 0.684,449 2.764,450 1.455,451 0.547,452 0.588,454 0.968,455 0.492,456 1.372,457 0.374,458 2.671,459 1.243,460 0.28,461 0.297,463 0.5,464 0.269,465 1.16,466 0.134,467 2.517,468 0.96,474 14.133,475 0.487,476 0.342,477 0.012,478 28,479 0.966,480 11,481 0.379,482 17,483 0.586,484 33.798,485 1.165,486 33.867,487 0.491,488 15.946,489 0.55,490 4.155,491 0.143,492 10.175,493 0.351,494 0.071,496 0.212,501 0.94,502 1.371,503 1.095,504 1.276,505 0.877,506 1.206,507 1.172,508 1.261,509 1.107,510 1.178,511 0.919,512 1.147,513 0.918,514 1.041,515 0.883,516 0.934,517 0.816,518 0.908,519 0.983,520 1.042,521 1.002,522 0.989,523 1.039,524 0.988,525 0.749,526 1.007,527 1.003,528 1.009,529 0.842,530 1.014,531 0.88,532 1.095,533 1.052,534 1.102,535 0.929,536 1.088,537 1.246,538 0.978,539 1.074,540 1.012,541 1.221,542 1.028,543 1.257,544 0.965,545 1.042,546 0.999,547 1.147,548 1.011,549 3,550 0.078,551 2,552 1.25,553 1.431,554 0.583,555 0.442,556 0.236,557 0.156,558 0.113,559 11815,560 18372,561 2.073,562 58,563 27,564 8,567 1,568 2,569 2,572 1.715,573 2,574 3.689,575 -0.473,582 84.4,583 1.223,584 2.621,585 3.785,586 4.558,587 4.97,588 5.275,589 3.138,590 4.72,591 4.816,592 3.934,593 1597.21,594 8.37,595 23318.9,600 421.488,601 1.074,602 4.817,603 0.097,604 0.004,605 0.051,606 0.03,607 0.037,608 0.016,609 0.013,610 0.008,611 0.006,612 0.005,613 0.268,614 0.5,615 0.75,616 2.542,617 151.685,618 0.044,619 -0.062,620 0.054,621 -0.018,622 0.138,623 0.013,624 -0.03,625 -0.121,626 -0.032,627 -0.067,628 0.124,629 -0.054,630 0.05,631 -0.013,632 0.122,633 0.065,634 0.179,635 0.092,636 0.023,637 0.013,638 0.016,639 0.002,640 0.023,641 0.008,642 0.158,643 0.032,644 0.001,645 -0.007,646 0.093,647 -0.012,648 -0.013,649 -0.082,650 -0.062,651 -0.092,652 -0.031,653 -0.081,654 -0.088,655 -0.004,656 -0.083,657 -0.047,658 -0.138,659 -0.06,660 -0.082,661 -0.027,662 -0.064,663 -0.033,664 -0.11,665 -0.046,666 0.753,667 1.977,668 0.483,669 36.851,670 0.976,671 1.132,672 5.542,673 30.716,674 0.622,675 3.466,676 3.689,677 3.951,678 4.22,679 4.511,680 4.615,681 4.754,682 4.868,683 4.942,684 4.82,685 8.123,686 0.562,687 396.68,688 3.466,689 4.949,690 5.771,691 6.619,692 7.477,693 8.349,694 9.227,695 10.114,696 11.006,697 11.902,698 2.9,703 1,708 1,714 2,715 3,716 1,720 4,722 11,734 1,739 1,741 69,743 11,744 1,745 31,747 71,748 26,749 9,750 3,751 3,756 3,757 6,763 1,767 4,770 14,772 9,773 17,793 40,794 3,795 1,796 3,802 2,808 0.333,809 1,822 1,829 3,833 2,859 1,864 2,868 29,876 15,877 1,878 1,893 1.4,898 1,901 14.5,902 12.617,903 6.861,904 5.19,907 2.408,908 1.32,909 0.951,910 9.435,911 9.926,912 3.624,913 4.119,914 4.71,915 5.327,916 5.966,917 6.346,918 6.743,919 7.11,920 7.427,921 7.315,922 1,923 42,924 10.822,926 4.348,927 0.026,929 7.276,931 22.175,933 18.293,936 1.776,937 51.5,941 459.073,942 104.386,943 34.796,945 11,948 104.386,949 470.073,950 34.796,951 19.708,952 37.589,953 28.429,954 34.796,955 29.659,957 459.073,959 459.073,960 139.182,961 11,964 435.531,965 34.542,968 51.315,969 53.071,970 34.796,972 459.073,973 45.796,974 104.386,977 459.073,978 56.249,979 48.137,980 18.011,981 27.785,982 459.073,983 45.796,984 104.386,986 0.541,987 0.311,988 0.173,989 0.101,990 15,991 6,992 0.183,993 13,994 2,995 1.286,996 4.25,997 233.149,998 0.286,999 14,1000 138.881,1005 22.248,1006 12.299,1007 6.522,1008 2.314,1009 45.796,1010 6.281,1011 4.961,1015 4.986,1017 18.011,1018 609.255,1019 36.5,1031 67.319,1032 78.095,1034 0.2,1035 0.429,1036 0.62,1037 0.746,1038 0.814,1039 0.864,1040 4.818,1041 1.426,1042 5.687,1043 3.384,1044 4.369,1045 4.804,1046 1.029,1047 6.444,1048 4.322,1049 5.946,1050 1.256,1051 7.195,1052 3.176,1053 3.611,1054 4.559,1056 7.286,1057 3.526,1058 7.219,1059 1.209,1060 8.821,1061 2.976,1062 5.872,1063 6.99,1064 0.763,1065 10.466,1066 5.778,1067 8.543,1068 0.903,1069 10.525,1070 2.488,1071 6.089,1072 7.727,1074 12.261,1075 5.957,1076 9.918,1077 0.67,1078 12.284,1079 1.903,1080 7.7,1081 9.594,1082 0.597,1083 14.939,1084 7.563,1085 11.327,1086 0.547,1087 14.079,1088 1.326,1089 8.42,1090 10.761,1092 17.107,1093 8.252,1094 12.763,1095 0.28,1096 15.902,1097 0.968,1098 9.755,1099 12.415,1100 0.47,1101 19.623,1102 9.578,1103 3.239,1105 17.743,1106 0.5,1107 10.723,1108 13.777,1110 21.943,1111 10.52,1112 2.632,1113 11.382,1114 19.599,1116 11.947,1117 15.349,1118 0.367,1119 24.403,1120 11.732,1121 2.218,1122 8.528,1123 21.467,1124 4.585,1125 13.029,1126 16.798,1128 26.786,1129 12.791,1130 2.148,1131 6.725,1132 23.343,1133 3.532,1134 14.214,1135 18.338,1136 0.283,1137 29.227,1138 13.959,1139 1.939,1140 6.478,1141 25.227,1142 2.924,1143 15.346,1144 19.827,1146 31.636,1147 15.07,1148 1.772,1149 3.887,1150 27.116,1151 2.847,1152 16.519,1153 21.354,1154 0.217,1155 34.071,1156 16.224,1157 1.523,1158 3.572,1159 29.011,1160 1.946,1161 17.673,1162 22.861,1164 36.492,1165 17.357,1166 11671,1167 14885,1168 21.148,1169 42.932,1170 43.291,1171 44.064,1172 45.15,1173 43.517,1174 43.527,1175 52.239,1176 2.52,1177 114.586,1178 42.453,1179 5.62,1180 5.372,1181 6.822,1182 5.26,1183 5.239,1184 7.585,1185 1.72,1186 18.916,1187 5.172,1188 10.874,1189 1.396,1190 1.421,1191 1.456,1192 1.404,1193 1.404,1194 1.685,1195 0.081,1196 3.696,1197 1.369,1198 4.118,1199 4.146,1200 4.081,1201 4.041,1202 5,1203 4.047,1204 3.82,1205 3.885,1206 3.658,1207 3.704,1208 4.648,1209 3.683,1210 3.743,1211 3.785,1212 3.636,1213 3.651,1214 4.287,1215 3.641,1216 3.696,1217 3.767,1218 3.522,1219 3.565,1220 4.215,1221 3.544,1222 3.541,1223 3.619,1224 3.358,1225 3.388,1226 4.194,1227 3.368,1228 3.38,1229 3.451,1230 3.227,1231 3.21,1232 4.079,1233 3.203,1234 3.298,1235 3.368,1236 3.126,1237 3.102,1238 3.906,1239 3.091,1240 3.171,1241 3.251,1242 2.987,1243 2.994,1244 3.862,1245 2.99,1246 0.15,1247 0.109,1248 0.221,1249 0.136,1250 0.104,1251 4.654,1252 0.148,1253 3.372,1254 0.028,1255 6.837,1256 0.367,1257 4.218,1258 0.102,1259 3.239,1260 4.585,1261 0.86,1262 11.382,1263 3.172,1264 2.069,1265 2.046,1266 2.152,1267 2.163,1268 1.443,1269 2.161,1270 1.825,1271 1.764,1272 2.073,1273 1.979,1274 1.429,1275 2.015,1276 1.752,1277 1.711,1278 1.987,1279 1.891,1280 1.325,1281 1.928,1282 1.721,1283 1.655,1284 1.936,1285 1.88,1286 1.17,1287 1.901,1288 1.561,1289 1.486,1290 1.85,1291 1.756,1292 1.131,1293 1.792,1294 1.373,1295 1.3,1296 1.68,1297 1.596,1298 0.943,1299 1.626,1300 1.272,1301 1.208,1302 1.582,1303 1.534,1304 0.761,1305 1.552,1306 1.176,1307 1.101,1308 1.499,1309 1.403,1310 0.717,1311 1.441,1312 4.143,1314 5.389,1316 6.851,1318 8.438,1320 10.105,1322 4.027,1328 19.657,1329 3.797,1330 5.477,1340 38.767,1341 84.4,1342 180.842,1343 261.184,1344 314.469,1345 342.959,1346 363.978,1347 49.301,1348 7.518,1349 34.15,1350 34.15,1351 18,1352 12.429,1353 3.585,1354 2.7,1355 52.963,1356 133,1357 195,1358 0.183,1359 240.939,1360 417.07,1361 579.651,1362 20481,1364 20.313,1365 0.7,1366 0.645,1367 20.313,1368 18.694,1369 14.33,1370 0.462,1371 0.389,1372 11.989,1373 14.044,1374 11.673,1375 9.833,1376 14.33,1377 12.065,1378 11.443,1379 0.293,1380 0.221,1381 11.443,1382 8.611,1383 9.548,1384 0.187,1385 0.124,1386 9.548,1387 6.301,1388 7.818,1389 0.117,1390 0.068,1391 7.818,1392 4.558,1393 6.667,1394 0.074,1395 0.038,1396 6.667,1397 3.375,1398 0.299,1399 87.958,1400 0.217,1401 28.427,1402 0.47,1403 140,1404 279.714,1405 146.653,1406 274.445,1407 389.94,1408 262,1409 160,1410 294.052,1411 166.988,1412 300.746,1413 440.77,1414 285,1415 6}
{0 CHEMBL1257644,1 1.257,2 11.962,3 6.939,4 48.144,5 110.573,6 5.91,7 0.393,8 4.135,9 4.277,10 3.503,11 3.669,12 4.992,13 3.593,14 4.739,15 4.956,16 3.791,17 4.071,18 5.497,19 3.951,20 5.024,21 5.3,22 3.884,23 4.211,24 5.72,25 4.062,26 5.017,27 5.289,28 3.833,29 4.198,30 5.724,31 4.042,32 5.018,33 5.293,34 3.79,35 4.199,36 5.706,37 4.029,38 5.025,39 5.301,40 3.697,41 4.182,42 5.674,43 3.993,44 5.034,45 5.327,46 3.558,47 4.108,48 5.659,49 3.902,50 4.938,51 5.236,52 3.397,53 3.989,54 5.534,55 3.77,56 0.075,57 0.824,58 15.013,59 6.22,60 9.435,61 8.928,62 0.177,63 1.35,64 26.603,65 10.348,66 18.268,67 15.141,68 0.24,69 1.677,70 34.309,71 12.657,72 25.498,73 19.081,74 0.28,75 1.683,76 34.284,77 12.357,78 26.581,79 18.766,80 0.341,81 1.655,82 34.143,83 12.815,84 27.38,85 19.184,86 0.226,87 1.631,88 34.007,89 13.164,90 22.66,91 19.44,92 0.277,93 1.564,94 34.116,95 12.658,96 24.445,97 18.763,98 0.249,99 1.38,100 30.707,101 11.708,102 21.454,103 17.098,104 17,105 36,106 0.207,107 0.458,108 0.662,109 0.792,110 0.854,111 0.88,112 3.304,113 1.132,114 -6.15,115 -5.99,116 -5.57,121 38.3,122 1,123 11,126 1,127 1,144 3,145 2,146 2,148 2,176 13,180 6,185 3,187 13,192 6,197 3,200 11,206 1,209 1,211 4,214 11,218 1,219 1,222 1,224 3,227 14,232 2,237 1,239 13,244 4,249 1,251 11,256 3,261 1,264 9,269 2,274 1,277 9,281 1248,282 18.259,283 18.259,284 18.259,285 18.259,286 18.259,287 16.999,288 16.096,289 11.499,290 18.549,291 13.796,292 13.796,293 13.796,294 13.796,295 13.796,296 11.697,297 17.059,298 5.423,299 14.176,300 4.65,301 3.121,302 1.882,303 1.091,304 0.717,305 0.558,306 3.994,312 1,313 661,314 3.606,318 170.594,322 194.918,325 1.589,326 11.418,329 0.75,330 0.67,331 0.83,332 1,333 1,334 1,335 1,336 0.89,337 54,338 311,339 4.654,340 3.372,341 6.837,342 4.218,343 3.239,344 4.585,345 0.86,346 11.382,347 3.172,348 3.998,349 2.876,350 6.013,351 3.61,352 2.632,353 3.532,354 0.4,355 8.528,356 2.576,357 3.53,358 2.514,359 5.387,360 3.171,361 2.217,362 2.924,364 6.725,365 2.109,366 3.519,367 2.326,368 5.221,369 3.091,370 2.148,371 2.847,373 6.478,374 2.016,375 2.909,376 1.92,377 4.136,378 2.896,379 1.898,380 1.912,382 3.814,383 1.893,384 2.677,385 1.731,386 3.968,387 2.624,388 1.634,389 1.7,391 3.385,392 1.617,393 2.584,394 1.527,395 3.834,396 2.421,397 1.43,398 1.602,400 3.339,401 1.416,402 2.503,403 1.403,404 3.624,405 2.253,406 1.26,407 1.503,409 3.052,410 1.252,411 2.277,412 1.321,413 3.504,414 2.237,415 1.253,416 1.274,418 2.584,419 1.23,420 1.982,421 1.101,422 3.16,423 1.87,424 0.886,425 0.946,427 1.883,428 0.871,429 1.808,430 0.964,431 3.027,432 1.586,433 0.642,434 0.724,436 1.233,437 0.598,438 1.588,439 0.627,440 2.74,441 1.415,442 0.495,443 0.53,445 0.857,446 0.453,447 1.295,448 0.271,449 2.628,450 1.105,451 0.15,452 0.163,454 0.273,455 0.142,456 1.008,457 0.003,458 2.512,459 0.82,460 -0.143,461 -0.159,463 -0.284,464 -0.137,465 0.923,466 -0.265,467 2.177,468 0.565,469 -0.4,470 -0.491,472 -0.902,473 -0.384,474 12.633,475 0.486,476 0.342,477 0.013,478 26.5,479 1.019,480 11,481 0.423,482 15.5,483 0.596,484 28.181,485 1.084,486 29.967,487 0.499,488 15.456,489 0.594,490 4.155,491 0.16,492 8.675,493 0.334,494 0.079,496 0.237,501 0.929,502 1.355,503 1.051,504 1.247,505 0.868,506 1.17,507 1.175,508 1.23,509 1.064,510 1.133,511 0.917,512 1.099,513 0.936,514 1.05,515 0.875,516 0.926,517 0.835,518 0.898,519 1.006,520 1.052,521 1.012,522 0.991,523 1.073,524 0.991,525 0.759,526 1.011,527 1.012,528 1.013,529 0.862,530 1.022,531 0.895,532 1.112,533 1.069,534 1.122,535 0.954,536 1.107,537 1.281,538 0.977,539 1.094,540 1.017,541 1.264,542 1.037,543 1.307,544 0.964,545 1.06,546 1.002,547 1.199,548 1.018,549 3,550 0.078,551 2,552 1.25,553 1.431,554 0.583,555 0.442,556 0.236,557 0.156,558 0.113,559 8004,560 13073,561 2.082,562 56.7,563 21,564 8,567 1,568 2,569 2,572 1.69,573 2,574 3.449,575 -0.446,582 75.398,583 1.257,584 2.786,585 4.025,586 4.815,587 5.19,588 5.348,589 2.859,590 4.287,591 4.658,592 3.656,593 1188.11,594 8.079,595 15228.8,600 354.413,601 1.14,602 4.655,603 0.107,604 0.005,605 0.056,606 0.032,607 0.04,608 0.017,609 0.015,610 0.009,611 0.007,612 0.006,613 0.294,614 0.5,615 0.88,616 2.196,617 128.653,618 0.038,619 -0.07,620 0.058,621 -0.021,622 0.123,623 0.015,624 -0.034,625 -0.102,626 -0.007,627 -0.039,628 0.121,629 -0.026,630 0.04,631 -0.016,632 0.13,633 0.071,634 0.168,635 0.1,636 0.009,637 0.014,638 0.006,639 -0.004,640 -0.004,641 0.001,642 0.154,643 0.036,644 -0.011,645 -0.014,646 0.076,647 -0.022,648 -0.024,649 -0.096,650 -0.082,651 -0.113,652 -0.054,653 -0.102,654 -0.105,655 -0.005,656 -0.102,657 -0.056,658 -0.167,659 -0.073,660 -0.099,661 -0.032,662 -0.08,663 -0.039,664 -0.136,665 -0.057,666 0.756,667 1.956,668 0.538,669 28.308,670 0.978,671 1.131,672 4.919,673 24.198,674 0.627,675 3.367,676 3.611,677 3.892,678 4.174,679 4.477,680 4.585,681 4.727,682 4.844,683 4.92,684 4.796,685 6.765,686 0.57,687 354.59,688 3.367,689 4.86,690 5.694,691 6.553,692 7.421,693 8.302,694 9.189,695 10.083,696 10.98,697 11.881,698 3.3,703 1,708 1,714 2,715 3,716 1,720 4,722 11,734 1,739 1,741 60,743 11,744 1,745 28,747 62,748 23,749 9,750 3,751 3,756 3,757 6,763 1,767 4,770 11,772 9,773 14,793 34,794 3,795 1,796 3,802 2,808 0.333,809 1,822 1,829 3,833 2,859 1,864 2,868 26,876 12,877 1,878 1,893 1.7,898 1,901 13,902 11.117,903 6.111,904 4.44,907 2.416,908 1.329,909 0.959,910 7.461,911 9.765,912 3.541,913 4.069,914 4.682,915 5.312,916 5.959,917 6.34,918 6.74,919 7.107,920 7.426,921 7.313,922 0.875,923 39,924 9.687,926 3.919,927 0.026,929 7.308,931 19.725,933 16.293,936 1.808,937 47,938 0.001,941 388.446,942 96.782,943 34.796,945 11,948 96.782,949 399.446,950 34.796,951 19.708,952 29.986,953 28.429,954 34.796,955 29.659,957 388.446,959 388.446,960 131.578,961 11,964 364.904,965 34.542,968 43.712,969 53.071,970 34.796,972 388.446,973 45.796,974 96.782,977 388.446,978 48.645,979 48.137,980 18.011,981 27.785,982 388.446,983 45.796,984 96.782,986 0.546,987 0.318,988 0.179,989 0.105,990 15,991 6,992 0.161,993 10,994 2,995 1.286,996 3.888,997 207.831,998 0.286,999 14,1000 120.211,1005 19.324,1006 10.038,1007 5.061,1008 2.307,1009 45.796,1010 6.261,1011 4.942,1015 4.972,1017 18.011,1018 531.025,1019 33.5,1031 58.669,1032 67.849,1034 0.213,1035 0.472,1036 0.681,1037 0.815,1038 0.879,1039 0.905,1040 4.743,1041 1.26,1042 5.624,1043 3.339,1044 4.29,1045 4.754,1046 1.029,1047 6.405,1048 4.239,1049 5.889,1050 1.253,1051 7.149,1052 3.052,1053 3.611,1054 4.559,1056 7.286,1057 3.526,1058 7.176,1059 0.886,1060 8.79,1061 2.584,1062 5.82,1063 6.974,1064 0.763,1065 10.458,1066 5.721,1067 8.513,1068 0.642,1069 10.505,1070 1.883,1071 6.089,1072 7.727,1074 12.261,1075 5.957,1076 9.897,1077 0.495,1078 12.271,1079 1.233,1080 7.673,1081 9.589,1082 0.597,1083 14.938,1084 7.532,1085 11.312,1086 0.15,1087 14.071,1088 0.857,1089 8.42,1090 10.761,1092 17.107,1093 8.252,1094 12.753,1095 -0.143,1096 15.897,1097 0.273,1098 9.742,1099 12.414,1100 0.47,1101 19.622,1102 9.563,1103 3.239,1104 -0.4,1105 17.74,1106 -0.284,1107 10.723,1108 13.777,1110 21.943,1111 10.52,1112 2.632,1113 11.382,1114 19.598,1115 -0.902,1116 11.942,1117 15.349,1118 0.367,1119 24.403,1120 11.726,1121 2.217,1122 8.528,1123 21.466,1124 4.585,1125 13.029,1126 16.798,1128 26.786,1129 12.791,1130 2.148,1131 6.725,1132 23.343,1133 3.532,1134 14.212,1135 18.338,1136 0.283,1137 29.227,1138 13.957,1139 1.898,1140 6.478,1141 25.227,1142 2.924,1143 15.346,1144 19.827,1146 31.636,1147 15.07,1148 1.634,1149 3.814,1150 27.116,1151 2.847,1152 16.518,1153 21.354,1154 0.217,1155 34.071,1156 16.223,1157 1.43,1158 3.385,1159 29.01,1160 1.912,1161 17.673,1162 22.861,1164 36.492,1165 17.357,1166 7944,1167 10387,1168 19.068,1169 37.648,1170 39.542,1171 40.303,1172 41.302,1173 39.734,1174 39.767,1175 48.487,1176 2.52,1177 107.067,1178 38.691,1179 5.607,1180 5.372,1181 6.813,1182 5.26,1183 5.239,1184 7.585,1185 1.72,1186 18.916,1187 5.172,1188 9.956,1189 1.412,1190 1.439,1191 1.475,1192 1.419,1193 1.42,1194 1.732,1195 0.09,1196 3.824,1197 1.382,1198 4.117,1199 4.145,1200 4.08,1201 4.041,1202 5,1203 4.047,1204 3.794,1205 3.86,1206 3.646,1207 3.675,1208 4.648,1209 3.657,1210 3.743,1211 3.785,1212 3.62,1213 3.649,1214 4.284,1215 3.638,1216 3.623,1217 3.699,1218 3.445,1219 3.477,1220 4.202,1221 3.458,1222 3.412,1223 3.492,1224 3.251,1225 3.239,1226 4.178,1227 3.231,1228 3.319,1229 3.38,1230 3.157,1231 3.128,1232 3.986,1233 3.119,1234 3.177,1235 3.257,1236 3.003,1237 2.995,1238 3.871,1239 2.994,1240 3.078,1241 3.166,1242 2.874,1243 2.874,1244 3.74,1245 2.859,1246 0.166,1247 0.12,1248 0.244,1249 0.151,1250 0.116,1251 4.654,1252 0.164,1253 3.372,1254 0.031,1255 6.837,1256 0.407,1257 4.218,1258 0.113,1259 3.239,1260 4.585,1261 0.86,1262 11.382,1263 3.172,1264 2.069,1265 2.046,1266 2.152,1267 2.163,1268 1.438,1269 2.161,1270 1.804,1271 1.742,1272 2.056,1273 1.962,1274 1.408,1275 1.998,1276 1.752,1277 1.711,1278 1.939,1279 1.88,1280 1.236,1281 1.902,1282 1.644,1283 1.573,1284 1.919,1285 1.829,1286 1.145,1287 1.864,1288 1.415,1289 1.338,1290 1.72,1291 1.637,1292 0.974,1293 1.668,1294 1.281,1295 1.223,1296 1.583,1297 1.542,1298 0.759,1299 1.556,1300 1.177,1301 1.103,1302 1.497,1303 1.407,1304 0.694,1305 1.443,1306 1.093,1307 1.006,1308 1.443,1309 1.321,1310 0.616,1311 1.366,1312 4.043,1314 5.303,1316 6.786,1318 8.391,1320 10.074,1322 4.011,1328 15.278,1329 3.774,1330 5.456,1340 34.186,1341 75.398,1342 167.168,1343 241.48,1344 288.929,1345 311.394,1346 320.904,1347 39.882,1348 7.349,1349 34.15,1350 34.15,1351 18,1352 12.404,1353 3.585,1354 2.7,1355 44.47,1356 97,1357 150,1358 0.212,1359 212.162,1360 365.17,1361 509.435,1362 15518,1364 18.192,1365 0.7,1366 0.637,1367 18.192,1368 16.573,1369 12.83,1370 0.458,1371 0.377,1372 10.489,1373 12.544,1374 10.203,1375 8.583,1376 12.83,1377 10.565,1378 10.383,1379 0.288,1380 0.21,1381 10.383,1382 7.55,1383 8.798,1384 0.183,1385 0.116,1386 8.798,1387 5.551,1388 7.288,1389 0.114,1390 0.063,1391 7.288,1392 4.027,1393 6.292,1394 0.072,1395 0.034,1396 6.292,1397 3,1398 0.335,1399 78.958,1400 0.229,1401 25.453,1402 0.57,1403 128,1404 267.714,1405 134.653,1406 261.96,1407 372.66,1408 250,1409 148,1410 282.052,1411 154.988,1412 288.261,1413 423.49,1414 273,1415 5.796}
{0 CHEMBL1257766,1 1.27,2 11.12,3 6.482,4 42.022,5 105.972,6 5.975,7 0.407,8 4.087,9 4.228,10 3.467,11 3.623,12 4.955,13 3.55,14 4.689,15 4.903,16 3.76,17 4.024,18 5.458,19 3.909,20 4.968,21 5.24,22 3.855,23 4.164,24 5.679,25 4.021,26 4.96,27 5.229,28 3.803,29 4.15,30 5.684,31 4,32 4.962,33 5.232,34 3.759,35 4.152,36 5.664,37 3.986,38 4.969,39 5.241,40 3.662,41 4.133,42 5.631,43 3.949,44 4.978,45 5.269,46 3.518,47 4.055,48 5.615,49 3.854,50 4.877,51 5.172,52 3.35,53 3.93,54 5.486,55 3.715,56 0.071,57 0.786,58 14.203,59 5.877,60 9.066,61 8.422,62 0.17,63 1.287,64 25.261,65 9.781,66 17.7,67 14.297,68 0.231,69 1.598,70 32.578,71 11.942,72 24.729,73 18.007,74 0.272,75 1.604,76 32.542,77 11.636,78 25.888,79 17.683,80 0.332,81 1.576,82 32.416,83 12.091,84 26.683,85 18.11,86 0.217,87 1.553,88 32.305,89 12.448,90 21.994,91 18.379,92 0.271,93 1.486,94 32.482,95 11.955,96 23.976,97 17.723,98 0.243,99 1.303,100 29.09,101 11.006,102 21.493,103 16.066,104 16,105 35,106 0.211,107 0.474,108 0.684,109 0.814,110 0.867,111 0.878,112 3.267,113 1.118,114 -5.93,115 -5.79,116 -5.39,121 38.6,122 1,123 10,126 1,127 1,144 3,145 2,146 2,148 2,176 12,180 6,185 3,187 12,192 6,197 3,200 10,206 1,209 1,211 4,214 10,218 1,219 1,222 1,224 3,227 13,232 2,237 1,239 12,244 4,249 1,251 10,256 3,261 1,264 9,269 2,277 9,281 1101,282 17.552,283 17.552,284 17.552,285 17.552,286 17.552,287 16.292,288 16.096,289 10.999,290 17.842,291 13.296,292 13.296,293 13.296,294 13.296,295 13.296,296 11.197,297 17.059,298 5.173,299 13.676,300 4.563,301 2.984,302 1.724,303 0.939,304 0.623,305 0.553,306 3.957,312 1,313 591,314 3.464,318 159.518,322 182.076,325 1.485,326 11.333,329 0.75,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.92,337 52,338 278,339 4.654,340 3.372,341 6.837,342 4.218,343 3.239,344 4.585,345 0.86,346 11.382,347 3.172,348 3.998,349 2.876,350 6.013,351 3.61,352 2.632,353 3.532,354 0.4,355 8.528,356 2.576,357 3.53,358 2.514,359 5.387,360 3.171,361 2.217,362 2.924,364 6.725,365 2.109,366 3.519,367 2.326,368 5.221,369 3.091,370 2.148,371 2.847,373 6.478,374 2.016,375 2.89,376 1.905,377 4.136,378 2.872,379 1.875,380 1.894,382 3.773,383 1.869,384 2.641,385 1.69,386 3.964,387 2.548,388 1.562,389 1.675,391 3.384,392 1.54,393 2.553,394 1.493,395 3.803,396 2.419,397 1.427,398 1.559,400 3.244,401 1.414,402 2.494,403 1.402,404 3.606,405 2.253,406 1.256,407 1.494,409 2.999,410 1.251,411 2.17,412 1.225,413 3.428,414 2.112,415 1.136,416 1.164,418 2.381,419 1.107,420 1.919,421 1.101,422 3.093,423 1.762,424 0.776,425 0.857,427 1.622,428 0.764,429 1.741,430 0.84,431 2.941,432 1.495,433 0.595,434 0.662,436 1.074,437 0.528,438 1.447,439 0.469,440 2.711,441 1.3,442 0.351,443 0.376,445 0.604,446 0.332,447 1.189,448 0.155,449 2.527,450 0.953,456 0.924,457 -0.217,458 2.433,459 0.625,460 -0.347,461 -0.379,463 -0.666,464 -0.335,465 0.771,466 -0.291,467 2.145,468 0.563,469 -0.406,470 -0.5,472 -0.949,473 -0.391,474 12.133,475 0.485,476 0.342,477 0.014,478 26,479 1.04,480 11,481 0.44,482 15,483 0.6,484 26.349,485 1.054,486 28.667,487 0.503,488 15.267,489 0.611,490 4.155,491 0.166,492 8.175,493 0.327,494 0.082,496 0.247,501 0.925,502 1.349,503 1.035,504 1.236,505 0.866,506 1.156,507 1.178,508 1.218,509 1.047,510 1.115,511 0.918,512 1.081,513 0.944,514 1.054,515 0.872,516 0.923,517 0.843,518 0.894,519 1.016,520 1.056,521 1.017,522 0.992,523 1.088,524 0.993,525 0.763,526 1.012,527 1.017,528 1.016,529 0.872,530 1.025,531 0.902,532 1.119,533 1.077,534 1.13,535 0.965,536 1.116,537 1.295,538 0.977,539 1.103,540 1.02,541 1.282,542 1.041,543 1.329,544 0.964,545 1.069,546 1.004,547 1.208,548 1.022,549 3,550 0.078,551 2,552 1.25,553 1.431,554 0.583,555 0.442,556 0.236,557 0.156,558 0.113,559 6963,560 11608,561 2.085,562 56.1,563 19,564 8,567 1,568 2,569 2,572 1.682,573 2,574 3.359,575 -0.435,582 72.367,583 1.27,584 2.848,585 4.109,586 4.894,587 5.21,588 5.28,589 2.809,590 4.484,591 4.601,592 3.551,593 1065.24,594 7.976,595 13064,600 332.475,601 1.164,602 4.597,603 0.111,604 0.005,605 0.057,606 0.033,607 0.041,608 0.018,609 0.015,610 0.01,611 0.008,612 0.007,613 0.304,614 0.5,615 0.88,616 2.069,617 121.176,618 0.035,619 -0.072,620 0.059,621 -0.022,622 0.117,623 0.015,624 -0.036,625 -0.095,626 0.003,627 -0.028,628 0.119,629 -0.015,630 0.035,631 -0.018,632 0.132,633 0.073,634 0.162,635 0.103,636 0.002,637 0.014,639 -0.006,640 -0.016,641 -0.003,642 0.151,643 0.037,644 -0.016,645 -0.017,646 0.067,647 -0.026,648 -0.029,649 -0.102,650 -0.091,651 -0.122,652 -0.064,653 -0.111,654 -0.112,655 -0.005,656 -0.11,657 -0.06,658 -0.179,659 -0.079,660 -0.106,661 -0.034,662 -0.087,663 -0.042,664 -0.134,665 -0.061,666 0.757,667 1.946,668 0.56,669 25.648,670 0.979,671 1.13,672 4.704,673 22.13,674 0.63,675 3.332,676 3.584,677 3.871,678 4.159,679 4.466,680 4.575,681 4.718,682 4.836,683 4.913,684 4.787,685 6.328,686 0.573,687 340.56,688 3.332,689 4.828,690 5.666,691 6.529,692 7.402,693 8.286,694 9.176,695 10.072,696 10.971,697 11.874,698 3.5,703 1,708 1,714 2,715 3,716 1,720 4,722 11,734 1,739 1,741 57,743 11,744 1,745 27,747 59,748 22,749 9,750 3,751 3,756 3,757 6,763 1,767 4,770 10,772 9,773 13,793 32,794 3,795 1,796 3,802 2,808 0.333,809 1,822 1,829 3,833 2,859 1,864 2,868 25,876 11,877 1,878 1,893 1.8,898 1,901 12.5,902 10.617,903 5.861,904 4.19,907 2.418,908 1.332,909 0.963,910 6.834,911 9.705,912 3.512,913 4.052,914 4.673,915 5.307,916 5.956,917 6.339,918 6.739,919 7.107,920 7.425,921 7.312,922 1,923 38,924 9.309,926 3.776,927 0.026,929 7.32,931 18.909,933 15.626,936 1.82,937 45.5,938 0.001,941 364.904,942 94.248,943 34.796,945 11,948 94.248,949 375.904,950 34.796,951 19.708,952 27.451,953 28.429,954 34.796,955 29.659,957 364.904,959 364.904,960 129.044,961 11,964 341.362,965 34.542,968 41.177,969 53.071,970 34.796,972 364.904,973 45.796,974 94.248,977 364.904,978 46.111,979 48.137,980 18.011,981 27.785,982 364.904,983 45.796,984 94.248,986 0.547,987 0.321,988 0.181,989 0.107,990 15,991 6,992 0.153,993 9,994 2,995 1.286,996 3.767,997 199.38,998 0.286,999 14,1000 116.096,1005 18.353,1006 9.31,1007 4.594,1008 2.304,1009 45.796,1010 6.252,1011 4.934,1015 4.965,1017 18.011,1018 504.948,1019 32.5,1031 55.785,1032 64.434,1034 0.218,1035 0.488,1036 0.704,1037 0.839,1038 0.893,1039 0.905,1040 4.716,1041 1.256,1042 5.602,1043 3.244,1044 4.263,1045 4.736,1046 1.029,1047 6.392,1048 4.209,1049 5.87,1050 1.136,1051 7.133,1052 2.999,1053 3.611,1054 4.559,1056 7.286,1057 3.526,1058 7.161,1059 0.776,1060 8.779,1061 2.381,1062 5.802,1063 6.968,1064 0.763,1065 10.455,1066 5.701,1067 8.503,1068 0.595,1069 10.498,1070 1.622,1071 6.089,1072 7.727,1074 12.261,1075 5.957,1076 9.89,1077 0.351,1078 12.266,1079 1.074,1080 7.663,1081 9.588,1082 0.597,1083 14.937,1084 7.521,1085 11.308,1087 14.069,1088 0.604,1089 8.42,1090 10.761,1092 17.107,1093 8.252,1094 12.75,1095 -0.347,1096 15.895,1098 9.738,1099 12.414,1100 0.47,1101 19.622,1102 9.558,1103 3.239,1104 -0.406,1105 17.739,1106 -0.666,1107 10.723,1108 13.777,1110 21.943,1111 10.52,1112 2.632,1113 11.382,1114 19.597,1115 -0.949,1116 11.941,1117 15.349,1118 0.367,1119 24.403,1120 11.724,1121 2.217,1122 8.528,1123 21.466,1124 4.585,1125 13.029,1126 16.798,1128 26.786,1129 12.791,1130 2.148,1131 6.725,1132 23.343,1133 3.532,1134 14.212,1135 18.338,1136 0.283,1137 29.227,1138 13.956,1139 1.875,1140 6.478,1141 25.226,1142 2.924,1143 15.346,1144 19.827,1146 31.636,1147 15.07,1148 1.562,1149 3.773,1150 27.116,1151 2.847,1152 16.518,1153 21.354,1154 0.217,1155 34.071,1156 16.223,1157 1.427,1158 3.384,1159 29.01,1160 1.894,1161 17.673,1162 22.861,1164 36.492,1165 17.357,1166 6923,1167 9145,1168 18.375,1169 35.887,1170 38.227,1171 38.997,1172 40.057,1173 38.413,1174 38.429,1175 47.138,1176 2.52,1177 104.388,1178 37.355,1179 5.604,1180 5.372,1181 6.807,1182 5.26,1183 5.239,1184 7.585,1185 1.72,1186 18.916,1187 5.172,1188 9.637,1189 1.416,1190 1.444,1191 1.484,1192 1.423,1193 1.423,1194 1.746,1195 0.093,1196 3.866,1197 1.384,1198 4.117,1199 4.145,1200 4.08,1201 4.041,1202 5,1203 4.047,1204 3.782,1205 3.848,1206 3.644,1207 3.663,1208 4.648,1209 3.649,1210 3.742,1211 3.785,1212 3.608,1213 3.647,1214 4.283,1215 3.631,1216 3.586,1217 3.664,1218 3.407,1219 3.432,1220 4.2,1221 3.414,1222 3.374,1223 3.443,1224 3.227,1225 3.201,1226 4.164,1227 3.197,1228 3.284,1229 3.358,1230 3.116,1231 3.069,1232 3.941,1233 3.065,1234 3.137,1235 3.215,1236 2.942,1237 2.977,1238 3.866,1239 2.964,1240 3.078,1241 3.165,1242 2.874,1243 2.874,1244 3.683,1245 2.859,1246 0.172,1247 0.125,1248 0.253,1249 0.156,1250 0.12,1251 4.654,1252 0.17,1253 3.372,1254 0.032,1255 6.837,1256 0.422,1257 4.218,1258 0.117,1259 3.239,1260 4.585,1261 0.86,1262 11.382,1263 3.172,1264 2.069,1265 2.046,1266 2.152,1267 2.163,1268 1.438,1269 2.161,1270 1.793,1271 1.731,1272 2.047,1273 1.953,1274 1.395,1275 1.989,1276 1.752,1277 1.711,1278 1.937,1279 1.88,1280 1.194,1281 1.902,1282 1.604,1283 1.53,1284 1.888,1285 1.798,1286 1.137,1287 1.832,1288 1.358,1289 1.29,1290 1.658,1291 1.59,1292 0.888,1293 1.614,1294 1.251,1295 1.181,1296 1.579,1297 1.524,1298 0.755,1299 1.545,1300 1.157,1301 1.083,1302 1.467,1303 1.36,1304 0.638,1305 1.402,1306 1.091,1307 1.006,1308 1.408,1309 1.315,1310 0.566,1311 1.353,1312 4.007,1314 5.273,1316 6.763,1318 8.375,1320 10.063,1322 4.004,1328 13.833,1329 3.762,1330 5.446,1340 32.66,1341 72.367,1342 162.359,1343 234.21,1344 278.965,1345 296.965,1346 300.965,1347 36.955,1348 7.288,1349 34.15,1350 34.15,1351 18,1352 12.395,1353 3.585,1354 2.7,1355 41.78,1356 87,1357 135,1358 0.223,1359 202.57,1360 347.87,1361 486.03,1362 14051,1364 17.485,1365 0.699,1366 0.635,1367 17.485,1368 15.866,1369 12.33,1370 0.457,1371 0.373,1372 9.989,1373 12.044,1374 9.712,1375 8.166,1376 12.33,1377 10.065,1378 10.029,1379 0.287,1380 0.206,1381 10.029,1382 7.197,1383 8.548,1384 0.182,1385 0.113,1386 8.548,1387 5.301,1388 7.111,1389 0.113,1390 0.061,1391 7.111,1392 3.851,1393 6.167,1394 0.072,1395 0.033,1396 6.167,1397 2.875,1398 0.349,1399 75.958,1400 0.233,1401 24.439,1402 0.612,1403 124,1404 263.714,1405 130.653,1406 257.798,1407 366.9,1408 246,1409 144,1410 278.052,1411 150.988,1412 284.1,1413 417.73,1414 269,1415 6.444}
{0 CHEMBL1257767,1 1.284,2 10.292,3 6.026,4 36.315,5 101.371,6 6.047,7 0.423,8 4.038,9 4.177,10 3.43,11 3.575,12 4.918,13 3.506,14 4.635,15 4.848,16 3.728,17 3.975,18 5.418,19 3.865,20 4.909,21 5.176,22 3.826,23 4.114,24 5.636,25 3.979,26 4.9,27 5.164,28 3.773,29 4.1,30 5.641,31 3.956,32 4.902,33 5.168,34 3.727,35 4.102,36 5.621,37 3.942,38 4.91,39 5.178,40 3.627,41 4.082,42 5.586,43 3.903,44 4.919,45 5.207,46 3.477,47 4,48 5.571,49 3.803,50 4.811,51 5.104,52 3.296,53 3.872,54 5.428,55 3.661,56 0.066,57 0.747,58 13.387,59 5.533,60 8.683,61 7.913,62 0.164,63 1.223,64 23.907,65 9.213,66 17.115,67 13.448,68 0.222,69 1.518,70 30.819,71 11.222,72 23.925,73 16.92,74 0.263,75 1.526,76 30.771,77 10.91,78 25.163,79 16.587,80 0.322,81 1.497,82 30.661,83 11.362,84 25.952,85 17.023,86 0.208,87 1.474,88 30.578,89 11.727,90 21.296,91 17.306,92 0.264,93 1.409,94 30.831,95 11.249,96 23.998,97 16.673,98 0.239,99 1.223,100 27.444,101 10.344,102 20.664,103 15.053,104 15,105 34,106 0.216,107 0.49,108 0.706,109 0.834,110 0.876,111 0.876,112 3.229,113 1.104,114 -4.8,115 -4.71,116 -4.43,121 38.9,122 1,123 9,126 1,127 1,144 3,145 2,146 2,148 2,176 11,180 6,185 3,187 11,192 6,197 3,200 9,206 1,209 1,211 4,214 9,218 1,219 1,222 1,224 3,227 12,232 2,237 1,239 11,244 4,249 1,251 10,256 3,264 9,269 2,277 9,281 960,282 16.845,283 16.845,284 16.845,285 16.845,286 16.845,287 15.585,288 16.096,289 10.499,290 17.135,291 12.796,292 12.796,293 12.796,294 12.796,295 12.796,296 10.697,297 17.059,298 4.923,299 13.176,300 4.471,301 2.84,302 1.562,303 0.797,304 0.546,305 0.546,306 3.918,312 1,313 525,314 3.317,318 148.785,322 169.593,325 1.375,326 11.231,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 50,338 247,339 4.654,340 3.372,341 6.837,342 4.218,343 3.239,344 4.585,345 0.86,346 11.382,347 3.172,348 3.998,349 2.876,350 6.013,351 3.61,352 2.632,353 3.532,354 0.4,355 8.528,356 2.576,357 3.53,358 2.514,359 5.387,360 3.17,361 2.217,362 2.924,364 6.725,365 2.109,366 3.519,367 2.326,368 5.221,369 3.091,370 2.148,371 2.847,373 6.478,374 2.016,375 2.863,376 1.886,377 4.136,378 2.84,379 1.844,380 1.869,382 3.719,383 1.836,384 2.621,385 1.643,386 3.958,387 2.456,388 1.476,389 1.658,391 3.384,392 1.446,393 2.519,394 1.452,395 3.765,396 2.41,397 1.417,398 1.52,400 3.163,401 1.406,402 2.452,403 1.401,404 3.591,405 2.253,406 1.256,407 1.451,409 2.897,410 1.251,411 2.065,412 1.103,413 3.324,414 1.976,415 1,416 1.047,418 2.14,419 0.974,420 1.856,421 1.098,422 3.062,423 1.644,424 0.679,425 0.771,427 1.35,428 0.651,429 1.649,430 0.705,431 2.802,432 1.436,433 0.535,434 0.582,436 0.922,437 0.478,438 1.317,439 0.299,440 2.679,441 1.118,442 0.168,443 0.184,445 0.3,446 0.159,447 1.009,448 0.003,449 2.516,450 0.801,451 -0.159,452 -0.18,454 -0.316,455 -0.152,456 0.923,457 -0.267,458 2.202,459 0.565,460 -0.401,461 -0.494,463 -0.92,464 -0.385,465 0.584,466 -0.539,467 2.132,468 0.351,469 -0.634,470 -0.683,472 -1.263,473 -0.624,474 11.633,475 0.485,476 0.342,477 0.014,478 25.5,479 1.063,480 11,481 0.458,482 14.5,483 0.604,484 24.538,485 1.022,486 27.367,487 0.507,488 15.06,489 0.628,490 4.155,491 0.173,492 7.675,493 0.32,494 0.086,496 0.258,501 0.921,502 1.341,503 1.017,504 1.224,505 0.864,506 1.141,507 1.18,508 1.204,509 1.029,510 1.096,511 0.919,512 1.06,513 0.954,514 1.058,515 0.869,516 0.92,517 0.853,518 0.889,519 1.028,520 1.061,521 1.022,522 0.993,523 1.105,524 0.995,525 0.769,526 1.015,527 1.023,528 1.018,529 0.883,530 1.029,531 0.91,532 1.127,533 1.085,534 1.14,535 0.978,536 1.125,537 1.31,538 0.977,539 1.113,540 1.023,541 1.29,542 1.046,543 1.369,544 0.921,545 1.084,546 0.986,547 1.249,548 1.015,549 3,550 0.078,551 2,552 1.25,553 1.431,554 0.583,555 0.442,556 0.236,557 0.156,558 0.113,559 6030,560 10287,561 2.089,562 55.6,563 17,564 8,567 1,568 2,569 2,572 1.672,573 2,574 3.266,575 -0.424,582 69.319,583 1.284,584 2.915,585 4.193,586 4.958,587 5.208,588 5.208,589 2.674,590 4.335,591 4.543,592 3.439,593 949.051,594 7.868,595 11141.4,600 310.764,601 1.189,602 4.536,603 0.115,604 0.006,605 0.059,606 0.034,607 0.042,608 0.018,609 0.016,610 0.01,611 0.008,612 0.007,613 0.316,614 0.5,615 1,616 1.935,617 113.823,618 0.032,619 -0.075,620 0.06,621 -0.023,622 0.109,623 0.015,624 -0.039,625 -0.087,626 0.013,627 -0.016,628 0.116,629 -0.003,630 0.029,631 -0.02,632 0.134,633 0.075,634 0.155,635 0.106,636 -0.006,637 0.014,638 -0.006,639 -0.009,640 -0.031,641 -0.008,642 0.149,643 0.038,644 -0.023,645 -0.021,646 0.058,647 -0.032,648 -0.035,649 -0.109,650 -0.101,651 -0.132,652 -0.075,653 -0.122,654 -0.12,655 -0.005,656 -0.119,657 -0.065,658 -0.181,659 -0.086,660 -0.131,661 0.007,662 -0.1,663 -0.025,664 -0.168,665 -0.055,666 0.758,667 1.936,668 0.583,669 23,670 0.98,671 1.13,672 3.573,673 12.77,674 0.632,675 3.296,676 3.555,677 3.85,678 4.143,679 4.454,680 4.564,681 4.71,682 4.828,683 4.905,684 4.771,685 5.904,686 0.577,687 326.53,688 3.296,689 4.796,690 5.638,691 6.506,692 7.382,693 8.27,694 9.163,695 10.061,696 10.962,697 11.866,698 3.7,703 1,708 1,714 2,715 3,716 1,720 4,722 11,734 1,739 1,741 54,743 11,744 1,745 26,747 56,748 21,749 9,750 3,751 3,756 3,757 6,763 1,767 4,770 9,772 9,773 12,793 30,794 3,795 1,796 3,802 2,808 0.333,809 1,822 1,829 3,833 2,859 1,864 2,868 24,876 10,877 1,878 1,893 1.9,898 1,901 12,902 10.117,903 5.611,904 3.94,907 2.419,908 1.335,909 0.966,910 6.226,911 9.642,912 3.481,913 4.034,914 4.663,915 5.302,916 5.954,917 6.337,918 6.738,919 7.106,920 7.424,921 7.31,922 0.857,923 37,924 8.931,926 3.633,927 0.026,929 7.333,931 18.092,933 14.959,936 1.833,937 44,938 0.001,941 341.362,942 91.713,943 34.796,945 11,948 91.713,949 352.362,950 34.796,951 19.708,952 24.916,953 28.429,954 34.796,955 29.659,957 341.362,959 341.362,960 126.509,961 11,964 317.82,965 34.542,968 38.643,969 53.071,970 34.796,972 341.362,973 45.796,974 91.713,977 341.362,978 43.576,979 48.137,980 18.011,981 27.785,982 341.362,983 45.796,984 91.713,986 0.549,987 0.324,988 0.183,989 0.109,990 15,991 6,992 0.143,993 8,994 2,995 1.286,996 3.645,997 190.898,998 0.286,999 14,1000 110.039,1005 17.384,1006 8.595,1007 4.163,1008 2.3,1009 45.796,1010 6.241,1011 4.925,1015 4.957,1017 18.011,1018 478.871,1019 31.5,1031 52.901,1032 61.019,1034 0.223,1035 0.506,1036 0.729,1037 0.862,1038 0.905,1039 0.905,1040 4.689,1041 1.256,1042 5.58,1043 3.163,1044 4.234,1045 4.718,1046 1.029,1047 6.378,1048 4.179,1049 5.85,1050 1,1051 7.117,1052 2.897,1053 3.611,1054 4.559,1056 7.286,1057 3.526,1058 7.147,1059 0.679,1060 8.768,1061 2.14,1062 5.784,1063 6.962,1064 0.763,1065 10.452,1066 5.681,1067 8.492,1068 0.535,1069 10.491,1070 1.35,1071 6.089,1072 7.727,1074 12.261,1075 5.957,1076 9.882,1077 0.168,1078 12.262,1079 0.922,1080 7.654,1081 9.587,1082 0.597,1083 14.937,1084 7.51,1085 11.303,1086 -0.159,1087 14.066,1088 0.3,1089 8.42,1090 10.761,1092 17.107,1093 8.252,1094 12.747,1095 -0.401,1096 15.894,1097 -0.316,1098 9.734,1099 12.414,1100 0.47,1101 19.622,1102 9.553,1103 3.239,1104 -0.634,1105 17.738,1106 -0.92,1107 10.723,1108 13.777,1110 21.943,1111 10.52,1112 2.632,1113 11.382,1114 19.597,1115 -1.263,1116 11.939,1117 15.348,1118 0.367,1119 24.403,1120 11.722,1121 2.217,1122 8.528,1123 21.465,1124 4.585,1125 13.029,1126 16.798,1128 26.786,1129 12.791,1130 2.148,1131 6.725,1132 23.342,1133 3.532,1134 14.211,1135 18.338,1136 0.283,1137 29.227,1138 13.955,1139 1.844,1140 6.478,1141 25.226,1142 2.924,1143 15.346,1144 19.827,1146 31.636,1147 15.07,1148 1.476,1149 3.719,1150 27.116,1151 2.847,1152 16.518,1153 21.354,1154 0.217,1155 34.071,1156 16.223,1157 1.417,1158 3.384,1159 29.01,1160 1.869,1161 17.673,1162 22.861,1164 36.492,1165 17.357,1166 6006,1167 8025,1168 17.682,1169 34.126,1170 37.013,1171 37.768,1172 38.779,1173 37.183,1174 37.222,1175 45.942,1176 2.52,1177 101.977,1178 36.145,1179 5.603,1180 5.372,1181 6.8,1182 5.26,1183 5.239,1184 7.585,1185 1.72,1186 18.916,1187 5.172,1188 9.311,1189 1.424,1190 1.453,1191 1.492,1192 1.43,1193 1.432,1194 1.767,1195 0.097,1196 3.922,1197 1.39,1198 4.116,1199 4.145,1200 4.08,1201 4.04,1202 4.999,1203 4.047,1204 3.767,1205 3.833,1206 3.643,1207 3.655,1208 4.648,1209 3.645,1210 3.742,1211 3.785,1212 3.592,1213 3.636,1214 4.282,1215 3.616,1216 3.54,1217 3.621,1218 3.362,1219 3.375,1220 4.199,1221 3.359,1222 3.35,1223 3.407,1224 3.207,1225 3.175,1226 4.145,1227 3.172,1228 3.233,1229 3.316,1230 3.071,1231 3.016,1232 3.896,1233 3.021,1234 3.082,1235 3.172,1236 2.874,1237 2.913,1238 3.849,1239 2.885,1240 3.076,1241 3.159,1242 2.853,1243 2.872,1244 3.622,1245 2.858,1246 0.179,1247 0.13,1248 0.263,1249 0.162,1250 0.125,1251 4.654,1252 0.176,1253 3.372,1254 0.033,1255 6.837,1256 0.438,1257 4.218,1258 0.122,1259 3.239,1260 4.585,1261 0.86,1262 11.382,1263 3.172,1264 2.069,1265 2.046,1266 2.152,1267 2.163,1268 1.437,1269 2.161,1270 1.778,1271 1.716,1272 2.036,1273 1.942,1274 1.377,1275 1.977,1276 1.752,1277 1.709,1278 1.936,1279 1.88,1280 1.161,1281 1.901,1282 1.552,1283 1.476,1284 1.845,1285 1.758,1286 1.104,1287 1.791,1288 1.316,1289 1.26,1290 1.597,1291 1.561,1292 0.788,1293 1.574,1294 1.208,1295 1.13,1296 1.559,1297 1.479,1298 0.746,1299 1.509,1300 1.118,1301 1.032,1302 1.456,1303 1.33,1304 0.624,1305 1.378,1306 1.088,1307 1.004,1308 1.38,1309 1.299,1310 0.547,1311 1.334,1312 3.97,1314 5.242,1316 6.739,1318 8.359,1320 10.052,1322 3.995,1328 12.399,1329 3.748,1330 5.436,1340 31.133,1341 69.319,1342 157.391,1343 226.441,1344 267.744,1345 281.254,1346 281.254,1347 34.133,1348 7.223,1349 34.15,1350 34.15,1351 18,1352 12.387,1353 3.585,1354 2.7,1355 39.166,1356 78,1357 120,1358 0.235,1359 192.977,1360 330.57,1361 462.625,1362 12676,1364 16.778,1365 0.699,1366 0.632,1367 16.778,1368 15.159,1369 11.83,1370 0.455,1371 0.368,1372 9.489,1373 11.544,1374 9.222,1375 7.75,1376 11.83,1377 9.565,1378 9.676,1379 0.285,1380 0.201,1381 9.676,1382 6.843,1383 8.298,1384 0.18,1385 0.11,1386 8.298,1387 5.051,1388 6.934,1389 0.112,1390 0.059,1391 6.934,1392 3.674,1393 6.042,1394 0.071,1395 0.032,1396 6.042,1397 2.75,1398 0.364,1399 72.958,1400 0.238,1401 23.415,1402 0.66,1403 120,1404 259.714,1405 126.653,1406 253.637,1407 361.14,1408 242,1409 140,1410 274.052,1411 146.988,1412 279.938,1413 411.97,1414 265,1415 6.569}
{0 CHEMBL1257885,1 1.299,2 9.435,3 5.57,4 31.025,5 96.77,6 6.127,7 0.44,8 3.986,9 4.123,10 3.391,11 3.524,12 4.879,13 3.459,14 4.579,15 4.789,16 3.695,17 3.924,18 5.376,19 3.82,20 4.845,21 5.108,22 3.796,23 4.062,24 5.591,25 3.934,26 4.836,27 5.095,28 3.741,29 4.047,30 5.597,31 3.911,32 4.838,33 5.099,34 3.693,35 4.049,36 5.575,37 3.896,38 4.846,39 5.11,40 3.59,41 4.028,42 5.541,43 3.855,44 4.857,45 5.141,46 3.428,47 3.946,48 5.518,49 3.754,50 4.738,51 5.022,52 3.245,53 3.82,54 5.362,55 3.61,56 0.061,57 0.708,58 12.564,59 5.19,60 8.286,61 7.402,62 0.157,63 1.16,64 22.538,65 8.644,66 16.514,67 12.592,68 0.212,69 1.439,70 29.029,71 10.499,72 23.078,73 15.819,74 0.253,75 1.446,76 28.966,77 10.179,78 24.4,79 15.474,80 0.312,81 1.418,82 28.873,83 10.627,84 25.181,85 15.92,86 0.199,87 1.395,88 28.821,89 11.002,90 21.059,91 16.219,92 0.261,93 1.33,94 29.147,95 10.58,96 23.164,97 15.637,98 0.214,99 1.142,100 25.61,101 9.933,102 18.95,103 14.264,104 14,105 33,106 0.221,107 0.508,108 0.728,109 0.848,110 0.874,111 0.874,112 3.189,113 1.088,114 -4.58,115 -4.5,116 -4.24,121 39.2,122 1,123 8,126 1,127 1,144 3,145 2,146 2,148 2,176 10,180 6,185 3,187 10,192 6,197 3,200 8,206 1,209 1,211 4,214 8,218 1,219 1,222 1,224 3,227 11,232 2,237 1,239 11,244 4,251 10,256 3,264 9,269 2,277 7,281 826,282 16.137,283 16.137,284 16.137,285 16.137,286 16.137,287 14.877,288 16.096,289 9.999,290 16.428,291 12.296,292 12.296,293 12.296,294 12.296,295 12.296,296 10.197,297 17.059,298 4.673,299 12.676,300 4.373,301 2.687,302 1.398,303 0.696,304 0.539,305 0.539,306 3.877,311 1,312 1,313 461,314 3.162,318 138.432,322 157.507,325 1.285,326 11.106,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 48,338 217,339 4.654,340 3.372,341 6.837,342 4.218,343 3.239,344 4.585,345 0.86,346 11.382,347 3.172,348 3.998,349 2.876,350 6.013,351 3.61,352 2.632,353 3.532,354 0.4,355 8.528,356 2.576,357 3.53,358 2.514,359 5.387,360 3.17,361 2.217,362 2.924,364 6.725,365 2.108,366 3.519,367 2.326,368 5.221,369 3.091,370 2.148,371 2.847,373 6.478,374 2.016,375 2.827,376 1.861,377 4.136,378 2.795,379 1.801,380 1.835,382 3.644,383 1.789,384 2.609,385 1.594,386 3.95,387 2.424,388 1.436,389 1.644,391 3.384,392 1.418,393 2.509,394 1.409,395 3.716,396 2.311,397 1.332,398 1.51,400 3.111,401 1.301,402 2.352,403 1.382,404 3.571,405 2.253,406 1.256,407 1.349,409 2.724,410 1.251,411 1.98,412 1.101,413 3.197,414 1.845,415 0.863,416 0.937,418 1.855,419 0.846,420 1.789,421 0.955,422 3.029,423 1.526,424 0.617,425 0.698,427 1.139,428 0.553,429 1.504,430 0.539,431 2.725,432 1.336,433 0.399,434 0.432,436 0.673,437 0.373,438 1.206,439 0.168,440 2.554,441 0.948,447 0.924,448 -0.239,449 2.489,450 0.574,451 -0.388,452 -0.441,454 -0.759,455 -0.372,456 0.732,457 -0.319,458 2.145,459 0.552,460 -0.425,461 -0.507,463 -0.97,464 -0.414,465 0.512,466 -0.608,467 2,468 0.15,469 -0.835,470 -0.935,472 -1.936,473 -0.816,474 11.133,475 0.484,476 0.342,477 0.015,478 25,479 1.087,480 11,481 0.478,482 14,483 0.609,484 22.748,485 0.989,486 26.067,487 0.511,488 14.834,489 0.645,490 4.155,491 0.181,492 7.175,493 0.312,494 0.09,496 0.269,501 0.918,502 1.334,503 0.998,504 1.211,505 0.863,506 1.124,507 1.184,508 1.19,509 1.009,510 1.074,511 0.921,512 1.037,513 0.965,514 1.064,515 0.866,516 0.917,517 0.864,518 0.884,519 1.041,520 1.066,521 1.029,522 0.994,523 1.125,524 0.997,525 0.776,526 1.017,527 1.029,528 1.021,529 0.896,530 1.034,531 0.92,532 1.137,533 1.096,534 1.151,535 0.98,536 1.136,537 1.343,538 0.937,539 1.13,540 1.006,541 1.327,542 1.041,543 1.281,544 0.976,545 1.093,546 1.051,547 1.19,548 1.067,549 3,550 0.07,551 2,552 1.25,553 1.431,554 0.583,555 0.442,556 0.236,557 0.156,558 0.112,559 5201,560 9106,561 2.093,562 54.9,563 15,564 8,567 1,568 2,569 2,572 1.663,573 2,574 3.165,575 -0.412,582 66.249,583 1.299,584 2.985,585 4.275,586 4.976,587 5.133,588 5.133,589 2.616,590 4.35,591 4.483,592 3.319,593 839.593,594 7.756,595 9447.07,600 289.294,601 1.214,602 4.473,603 0.12,604 0.008,605 0.061,606 0.035,607 0.043,608 0.019,609 0.016,610 0.011,611 0.009,612 0.008,613 0.329,614 0.5,615 1,616 1.793,617 106.611,618 0.029,619 -0.079,620 0.062,621 -0.024,622 0.1,623 0.016,624 -0.042,625 -0.078,626 0.024,627 -0.002,628 0.112,629 0.011,630 0.023,631 -0.022,632 0.136,633 0.077,634 0.147,635 0.109,636 -0.015,637 0.014,638 -0.015,639 -0.014,640 -0.048,641 -0.013,642 0.145,643 0.04,644 -0.032,645 -0.026,646 0.046,647 -0.039,648 -0.042,649 -0.117,650 -0.114,651 -0.144,652 -0.076,653 -0.134,654 -0.145,655 0.036,656 -0.136,657 -0.05,658 -0.217,659 -0.083,660 -0.111,661 -0.057,662 -0.117,663 -0.07,664 -0.149,665 -0.092,666 0.76,667 1.923,668 0.609,669 20.416,670 0.981,671 1.129,672 3.35,673 11.226,674 0.635,675 3.258,676 3.526,677 3.829,678 4.127,679 4.443,680 4.554,681 4.7,682 4.82,683 4.89,684 4.736,685 5.498,686 0.581,687 312.5,688 3.258,689 4.762,690 5.609,691 6.482,692 7.362,693 8.253,694 9.149,695 10.05,696 10.953,697 11.859,698 3.9,703 1,708 1,714 2,715 3,716 1,720 4,722 11,734 1,739 1,741 51,743 11,744 1,745 25,747 53,748 20,749 9,750 3,751 3,756 3,757 6,763 1,767 4,770 8,772 9,773 11,793 28,794 3,795 1,796 3,802 2,808 0.333,809 1,822 1,829 3,833 2,859 1,864 2,868 23,876 9,877 1,878 1,893 2,898 1,901 11.5,902 9.617,903 5.361,904 3.69,907 2.42,908 1.338,909 0.97,910 5.636,911 9.574,912 3.45,913 4.016,914 4.654,915 5.297,916 5.951,917 6.335,918 6.736,919 7.105,920 7.423,921 7.305,922 1,923 36,924 8.552,926 3.49,927 0.026,929 7.348,931 17.276,933 14.293,936 1.848,937 42.5,938 0.001,941 317.82,942 89.179,943 34.796,945 11,948 89.179,949 328.82,950 34.796,951 19.708,952 22.382,953 28.429,954 34.796,955 29.659,957 317.82,959 317.82,960 123.975,961 11,964 294.278,965 34.542,968 36.108,969 53.071,970 34.796,972 317.82,973 45.796,974 89.179,977 317.82,978 41.042,979 48.137,980 18.011,981 27.785,982 317.82,983 45.796,984 89.179,986 0.552,987 0.327,988 0.186,989 0.111,990 15,991 6,992 0.132,993 7,994 2,995 1.286,996 3.524,997 182.361,998 0.286,999 14,1000 104.042,1005 16.417,1006 7.896,1007 3.732,1008 2.294,1009 45.796,1010 6.229,1011 4.914,1015 4.946,1017 18.011,1018 452.794,1019 30.5,1031 50.018,1032 57.604,1034 0.229,1035 0.526,1036 0.754,1037 0.877,1038 0.905,1039 0.905,1040 4.661,1041 1.256,1042 5.557,1043 3.111,1044 4.205,1045 4.7,1046 1.029,1047 6.365,1048 4.148,1049 5.829,1050 0.863,1051 7.101,1052 2.724,1053 3.611,1054 4.559,1056 7.286,1057 3.526,1058 7.131,1059 0.617,1060 8.757,1061 1.855,1062 5.765,1063 6.957,1064 0.763,1065 10.449,1066 5.66,1067 8.482,1068 0.399,1069 10.484,1070 1.139,1071 6.089,1072 7.727,1074 12.261,1075 5.957,1076 9.875,1078 12.258,1079 0.673,1080 7.644,1081 9.585,1082 0.597,1083 14.936,1084 7.499,1085 11.298,1086 -0.388,1087 14.063,1089 8.42,1090 10.761,1092 17.107,1093 8.252,1094 12.743,1095 -0.425,1096 15.892,1097 -0.759,1098 9.73,1099 12.414,1100 0.47,1101 19.622,1102 9.548,1103 3.239,1104 -0.835,1105 17.737,1106 -0.97,1107 10.723,1108 13.777,1110 21.943,1111 10.52,1112 2.632,1113 11.382,1114 19.596,1115 -1.936,1116 11.937,1117 15.348,1118 0.367,1119 24.403,1120 11.72,1121 2.217,1122 8.528,1123 21.465,1124 4.585,1125 13.029,1126 16.798,1128 26.786,1129 12.791,1130 2.148,1131 6.725,1132 23.342,1133 3.532,1134 14.21,1135 18.338,1136 0.283,1137 29.227,1138 13.955,1139 1.801,1140 6.478,1141 25.226,1142 2.924,1143 15.346,1144 19.827,1146 31.636,1147 15.07,1148 1.436,1149 3.644,1150 27.116,1151 2.847,1152 16.518,1153 21.354,1154 0.217,1155 34.071,1156 16.222,1157 1.332,1158 3.384,1159 29.01,1160 1.835,1161 17.673,1162 22.861,1164 36.492,1165 17.357,1166 5189,1167 7023,1168 16.989,1169 32.364,1170 35.702,1171 36.468,1172 37.485,1173 35.861,1174 35.879,1175 44.587,1176 2.52,1177 99.287,1178 34.806,1179 5.602,1180 5.372,1181 6.788,1182 5.26,1183 5.239,1184 7.585,1185 1.72,1186 18.916,1187 5.172,1188 8.976,1189 1.428,1190 1.459,1191 1.499,1192 1.434,1193 1.435,1194 1.783,1195 0.101,1196 3.971,1197 1.392,1198 4.116,1199 4.144,1200 4.08,1201 4.04,1202 4.999,1203 4.046,1204 3.751,1205 3.814,1206 3.643,1207 3.653,1208 4.648,1209 3.644,1210 3.737,1211 3.785,1212 3.571,1213 3.613,1214 4.28,1215 3.593,1216 3.483,1217 3.566,1218 3.313,1219 3.306,1220 4.198,1221 3.295,1222 3.331,1223 3.387,1224 3.184,1225 3.146,1226 4.118,1227 3.142,1228 3.185,1229 3.264,1230 3.022,1231 2.998,1232 3.879,1233 2.998,1234 3.078,1235 3.166,1236 2.874,1237 2.874,1238 3.796,1239 2.859,1240 2.987,1241 3.09,1242 2.734,1243 2.774,1244 3.547,1245 2.75,1246 0.186,1247 0.135,1248 0.273,1249 0.169,1250 0.13,1251 4.654,1252 0.183,1253 3.372,1254 0.034,1255 6.837,1256 0.455,1257 4.218,1258 0.127,1259 3.239,1260 4.585,1261 0.86,1262 11.382,1263 3.172,1264 2.069,1265 2.046,1266 2.152,1267 2.163,1268 1.437,1269 2.161,1270 1.759,1271 1.712,1272 2.02,1273 1.927,1274 1.351,1275 1.962,1276 1.751,1277 1.692,1278 1.936,1279 1.88,1280 1.152,1281 1.901,1282 1.487,1283 1.407,1284 1.788,1285 1.707,1286 1.026,1287 1.738,1288 1.29,1289 1.236,1290 1.584,1291 1.549,1292 0.758,1293 1.56,1294 1.178,1295 1.104,1296 1.494,1297 1.413,1298 0.664,1299 1.446,1300 1.092,1301 1.006,1302 1.436,1303 1.32,1304 0.596,1305 1.363,1306 1.013,1307 0.912,1308 1.349,1309 1.252,1310 0.54,1311 1.292,1312 3.932,1314 5.209,1316 6.715,1318 8.343,1320 10.041,1322 3.983,1328 10.98,1329 3.73,1330 5.423,1340 29.606,1341 66.249,1342 152.235,1343 218.009,1344 253.784,1345 261.784,1346 261.784,1347 31.41,1348 7.154,1349 34.15,1350 34.15,1351 18,1352 12.378,1353 3.585,1354 2.7,1355 36.635,1356 70,1357 105,1358 0.248,1359 183.385,1360 313.27,1361 439.219,1362 11392,1364 16.071,1365 0.699,1366 0.628,1367 16.071,1368 14.451,1369 11.33,1370 0.453,1371 0.363,1372 8.989,1373 11.044,1374 8.732,1375 7.333,1376 11.33,1377 9.065,1378 9.322,1379 0.282,1380 0.197,1381 9.322,1382 6.49,1383 8.048,1384 0.179,1385 0.107,1386 8.048,1387 4.801,1388 6.758,1389 0.111,1390 0.057,1391 6.758,1392 3.497,1393 5.917,1394 0.07,1395 0.031,1396 5.917,1397 2.625,1398 0.379,1399 69.958,1400 0.243,1401 22.385,1402 0.713,1403 116,1404 255.714,1405 122.653,1406 249.475,1407 355.38,1408 238,1409 136,1410 270.052,1411 142.988,1412 275.776,1413 406.21,1414 261,1415 7}
{0 CHEMBL1257886,1 1.316,2 8.591,3 5.114,4 26.151,5 92.169,6 6.218,7 0.458,8 3.93,9 4.066,10 3.351,11 3.471,12 4.838,13 3.409,14 4.519,15 4.726,16 3.661,17 3.869,18 5.333,19 3.772,20 4.778,21 5.035,22 3.765,23 4.007,24 5.544,25 3.888,26 4.768,27 5.021,28 3.708,29 3.991,30 5.55,31 3.863,32 4.77,33 5.025,34 3.659,35 3.993,36 5.53,37 3.847,38 4.779,39 5.037,40 3.547,41 3.976,42 5.485,43 3.808,44 4.787,45 5.062,46 3.384,47 3.898,48 5.458,49 3.707,50 4.687,51 4.971,52 3.159,53 3.756,54 5.324,55 3.541,56 0.056,57 0.67,58 11.733,59 4.846,60 7.871,61 6.887,62 0.151,63 1.096,64 21.154,65 8.074,66 15.893,67 11.728,68 0.202,69 1.359,70 27.202,71 9.769,72 22.181,73 14.701,74 0.243,75 1.367,76 27.118,77 9.441,78 23.589,79 14.342,80 0.302,81 1.338,82 27.046,83 9.885,84 24.862,85 14.8,86 0.192,87 1.314,88 27.018,89 10.307,90 19.951,91 15.139,92 0.234,93 1.248,94 27.255,95 10.161,96 21.361,97 14.824,98 0.21,99 1.083,100 24.511,101 9.431,102 18.939,103 13.534,104 13,105 32,106 0.227,107 0.528,108 0.75,109 0.858,110 0.872,111 0.872,112 3.148,113 1.071,114 -4.35,115 -4.29,116 -4.04,121 39.6,122 1,123 7,126 1,127 1,144 3,145 2,146 2,148 2,176 9,180 6,185 3,187 9,192 6,197 3,200 7,206 1,209 1,211 4,214 7,218 1,219 1,222 1,224 3,227 11,232 2,239 11,244 4,251 10,256 3,264 7,269 2,277 5,281 700,282 15.43,283 15.43,284 15.43,285 15.43,286 15.43,287 14.17,288 16.096,289 9.499,290 15.721,291 11.796,292 11.796,293 11.796,294 11.796,295 11.796,296 9.697,297 17.059,298 4.423,299 12.176,300 4.269,301 2.526,302 1.239,303 0.615,304 0.531,305 0.531,306 3.835,311 1,312 1,313 401,314 3,318 128.501,322 145.862,325 1.174,326 10.948,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 46,338 189,339 4.654,340 3.372,341 6.837,342 4.218,343 3.239,344 4.585,345 0.86,346 11.382,347 3.172,348 3.998,349 2.876,350 6.013,351 3.61,352 2.632,353 3.532,354 0.4,355 8.528,356 2.576,357 3.53,358 2.514,359 5.387,360 3.17,361 2.217,362 2.924,364 6.725,365 2.108,366 3.519,367 2.326,368 5.221,369 3.09,370 2.148,371 2.847,373 6.478,374 2.015,375 2.776,376 1.829,377 4.136,378 2.729,379 1.739,380 1.79,382 3.541,383 1.721,384 2.598,385 1.547,386 3.94,387 2.421,388 1.43,389 1.628,391 3.383,392 1.416,393 2.504,394 1.403,395 3.662,396 2.253,397 1.257,398 1.505,400 3.072,401 1.251,402 2.217,403 1.286,404 3.531,405 2.148,406 1.179,407 1.21,409 2.485,410 1.14,411 1.91,412 1.101,413 3.101,414 1.718,415 0.738,416 0.836,418 1.529,419 0.721,420 1.71,421 0.803,422 2.927,423 1.456,424 0.567,425 0.628,427 0.985,428 0.499,429 1.346,430 0.337,431 2.701,432 1.134,433 0.192,434 0.213,436 0.334,437 0.18,438 1.011,439 0.003,440 2.519,441 0.776,442 -0.181,443 -0.207,445 -0.357,446 -0.172,447 0.923,448 -0.269,449 2.244,450 0.564,451 -0.402,452 -0.496,454 -0.93,455 -0.385,456 0.564,457 -0.59,458 2.136,459 0.237,460 -0.749,461 -0.811,463 -1.523,464 -0.737,465 0.311,466 -0.671,467 2,468 0.15,469 -0.836,470 -1.016,472 -2.148,473 -0.817,474 10.633,475 0.483,476 0.342,477 0.016,478 24.5,479 1.114,480 11,481 0.5,482 13.5,483 0.614,484 20.981,485 0.954,486 24.767,487 0.516,488 14.583,489 0.663,490 4.155,491 0.189,492 6.675,493 0.303,494 0.094,496 0.282,501 0.914,502 1.325,503 0.977,504 1.196,505 0.862,506 1.106,507 1.188,508 1.173,509 0.988,510 1.049,511 0.925,512 1.012,513 0.977,514 1.07,515 0.863,516 0.913,517 0.879,518 0.879,519 1.057,520 1.073,521 1.037,522 0.996,523 1.149,524 1.001,525 0.785,526 1.021,527 1.038,528 1.025,529 0.898,530 1.04,531 0.947,532 1.104,533 1.114,534 1.143,535 1.011,536 1.138,537 1.257,538 0.989,539 1.142,540 1.07,541 1.273,542 1.093,543 1.285,544 1.002,545 1.127,546 1.086,547 1.197,548 1.104,549 3,550 0.041,551 2,552 1.25,553 1.431,554 0.583,555 0.442,556 0.236,557 0.156,558 0.102,559 4472,560 8061,561 2.097,562 54.2,563 13,564 8,567 1,568 2,569 2,572 1.652,573 2,574 3.059,575 -0.399,582 63.156,583 1.316,584 3.059,585 4.346,586 4.97,587 5.054,588 5.054,589 2.465,590 4.187,591 4.421,592 3.192,593 737.314,594 7.638,595 7966.79,600 268.078,601 1.241,602 4.407,603 0.125,604 0.01,605 0.063,606 0.036,607 0.045,608 0.019,609 0.017,610 0.011,611 0.01,612 0.01,613 0.346,614 0.67,615 1,616 1.642,617 99.567,618 0.025,619 -0.082,620 0.063,621 -0.025,622 0.09,623 0.016,624 -0.047,625 -0.067,626 0.037,627 0.014,628 0.107,629 0.027,630 0.015,631 -0.024,632 0.137,633 0.079,634 0.136,635 0.112,636 -0.026,637 0.014,638 -0.026,639 -0.019,640 -0.069,641 -0.021,642 0.14,643 0.041,644 -0.043,645 -0.032,646 0.045,647 -0.048,648 -0.066,649 -0.081,650 -0.135,651 -0.137,652 -0.112,653 -0.138,654 -0.128,655 -0.024,656 -0.156,657 -0.096,658 -0.203,659 -0.122,660 -0.119,661 -0.093,662 -0.153,663 -0.109,664 -0.15,665 -0.133,666 0.762,667 1.909,668 0.636,669 17.983,670 0.982,671 1.129,672 3.123,673 9.753,674 0.638,675 3.219,676 3.497,677 3.807,678 4.111,679 4.431,680 4.543,681 4.691,682 4.804,683 4.86,684 4.682,685 5.117,686 0.585,687 298.47,688 3.219,689 4.727,690 5.58,691 6.457,692 7.341,693 8.237,694 9.135,695 10.039,696 10.944,697 11.852,698 4.2,703 1,708 1,714 2,715 3,716 1,720 4,722 11,734 1,739 1,741 48,743 11,744 1,745 24,747 50,748 19,749 9,750 3,751 3,756 3,757 6,763 1,767 4,770 7,772 9,773 10,793 26,794 3,795 1,796 3,802 2,808 0.333,809 1,822 1,829 3,833 2,859 1,864 2,868 22,876 8,877 1,878 1,893 2.1,898 1,901 11,902 9.117,903 5.111,904 3.44,907 2.421,908 1.342,909 0.974,910 5.067,911 9.502,912 3.418,913 3.998,914 4.644,915 5.292,916 5.948,917 6.333,918 6.735,919 7.102,920 7.418,921 7.293,922 0.833,923 35,924 8.173,926 3.347,927 0.026,929 7.364,931 16.459,933 13.626,936 1.864,937 41,938 0.001,940 1,941 294.278,942 86.644,943 34.796,945 11,948 86.644,949 305.277,950 34.796,951 19.708,952 19.847,953 28.429,954 34.796,955 29.659,957 294.278,959 294.278,960 121.44,961 11,964 270.735,965 34.542,968 33.574,969 53.071,970 34.796,972 294.278,973 45.796,974 86.644,977 294.278,978 38.507,979 48.137,980 18.011,981 27.785,982 294.278,983 45.796,984 86.644,986 0.554,987 0.331,988 0.189,989 0.114,990 15,991 6,992 0.12,993 6,994 2,995 1.286,996 3.404,997 173.737,998 0.286,999 14,1000 98.107,1005 15.454,1006 7.214,1007 3.339,1008 2.288,1009 45.796,1010 6.213,1011 4.901,1015 4.932,1017 18.011,1018 426.718,1019 29.5,1031 47.134,1032 54.188,1034 0.236,1035 0.548,1036 0.778,1037 0.89,1038 0.905,1039 0.905,1040 4.632,1041 1.179,1042 5.533,1043 3.072,1044 4.174,1045 4.682,1046 1.029,1047 6.351,1048 4.116,1049 5.809,1050 0.738,1051 7.084,1052 2.485,1053 3.611,1054 4.559,1056 7.286,1057 3.526,1058 7.116,1059 0.567,1060 8.746,1061 1.529,1062 5.746,1063 6.951,1064 0.763,1065 10.446,1066 5.639,1067 8.471,1068 0.192,1069 10.477,1070 0.985,1071 6.089,1072 7.727,1074 12.261,1075 5.957,1076 9.868,1077 -0.181,1078 12.253,1079 0.334,1080 7.635,1081 9.584,1082 0.597,1083 14.936,1084 7.488,1085 11.293,1086 -0.402,1087 14.061,1088 -0.357,1089 8.42,1090 10.761,1092 17.107,1093 8.252,1094 12.74,1095 -0.749,1096 15.89,1097 -0.93,1098 9.726,1099 12.413,1100 0.47,1101 19.622,1102 9.543,1103 3.239,1104 -0.836,1105 17.737,1106 -1.523,1107 10.723,1108 13.777,1110 21.943,1111 10.52,1112 2.632,1113 11.382,1114 19.595,1115 -2.148,1116 11.936,1117 15.348,1118 0.367,1119 24.403,1120 11.717,1121 2.217,1122 8.528,1123 21.465,1124 4.585,1125 13.029,1126 16.798,1128 26.786,1129 12.791,1130 2.148,1131 6.725,1132 23.342,1133 3.532,1134 14.21,1135 18.338,1136 0.283,1137 29.227,1138 13.954,1139 1.739,1140 6.478,1141 25.226,1142 2.924,1143 15.346,1144 19.827,1146 31.636,1147 15.07,1148 1.43,1149 3.541,1150 27.116,1151 2.847,1152 16.517,1153 21.354,1154 0.217,1155 34.071,1156 16.222,1157 1.257,1158 3.383,1159 29.01,1160 1.79,1161 17.673,1162 22.861,1164 36.492,1165 17.357,1166 4468,1167 6135,1168 16.296,1169 30.603,1170 34.484,1171 35.233,1172 36.248,1173 34.63,1174 34.675,1175 43.396,1176 2.52,1177 96.888,1178 33.598,1179 5.601,1180 5.372,1181 6.772,1182 5.26,1183 5.239,1184 7.585,1185 1.72,1186 18.916,1187 5.172,1188 8.632,1189 1.437,1190 1.468,1191 1.51,1192 1.443,1193 1.445,1194 1.808,1195 0.105,1196 4.037,1197 1.4,1198 4.116,1199 4.144,1200 4.08,1201 4.04,1202 4.999,1203 4.046,1204 3.745,1205 3.791,1206 3.642,1207 3.652,1208 4.648,1209 3.643,1210 3.714,1211 3.782,1212 3.541,1213 3.578,1214 4.279,1215 3.559,1216 3.421,1217 3.501,1218 3.267,1219 3.239,1220 4.198,1221 3.235,1222 3.304,1223 3.368,1224 3.148,1225 3.092,1226 4.079,1227 3.089,1228 3.14,1229 3.216,1230 2.956,1231 2.98,1232 3.873,1233 2.969,1234 3.078,1235 3.165,1236 2.874,1237 2.874,1238 3.726,1239 2.859,1240 2.893,1241 2.991,1242 2.688,1243 2.727,1244 3.463,1245 2.709,1246 0.194,1247 0.141,1248 0.285,1249 0.176,1250 0.135,1251 4.654,1252 0.191,1253 3.372,1254 0.036,1255 6.837,1256 0.474,1257 4.218,1258 0.132,1259 3.239,1260 4.585,1261 0.86,1262 11.382,1263 3.172,1264 2.069,1265 2.046,1266 2.152,1267 2.163,1268 1.436,1269 2.161,1270 1.752,1271 1.711,1272 1.998,1273 1.906,1274 1.313,1275 1.941,1276 1.73,1277 1.662,1278 1.935,1279 1.88,1280 1.147,1281 1.901,1282 1.408,1283 1.331,1284 1.711,1285 1.643,1286 0.913,1287 1.669,1288 1.262,1289 1.199,1290 1.58,1291 1.537,1292 0.754,1293 1.551,1294 1.157,1295 1.084,1296 1.465,1297 1.358,1298 0.63,1299 1.399,1300 1.091,1301 1.006,1302 1.398,1303 1.313,1304 0.55,1305 1.349,1306 0.902,1307 0.825,1308 1.259,1309 1.162,1310 0.443,1311 1.2,1312 3.892,1314 5.176,1316 6.691,1318 8.326,1320 10.03,1322 3.968,1328 9.582,1329 3.706,1330 5.409,1340 28.079,1341 63.156,1342 146.851,1343 208.594,1344 238.568,1345 242.568,1346 242.568,1347 28.795,1348 7.081,1349 34.15,1350 34.15,1351 18,1352 12.369,1353 3.585,1354 2.7,1355 34.194,1356 63,1357 90,1358 0.262,1359 173.793,1360 295.97,1361 415.814,1362 10198,1364 15.364,1365 0.698,1366 0.625,1367 15.364,1368 13.744,1369 10.83,1370 0.451,1371 0.357,1372 8.489,1373 10.544,1374 8.242,1375 6.916,1376 10.83,1377 8.565,1378 8.969,1379 0.28,1380 0.192,1381 8.969,1382 6.136,1383 7.798,1384 0.177,1385 0.103,1386 7.798,1387 4.551,1388 6.581,1389 0.11,1390 0.055,1391 6.581,1392 3.32,1393 5.792,1394 0.07,1395 0.03,1396 5.792,1397 2.485,1398 0.395,1399 66.958,1400 0.248,1401 21.353,1402 0.769,1403 112,1404 251.714,1405 118.653,1406 245.314,1407 349.62,1408 234,1409 132,1410 266.052,1411 138.988,1412 271.615,1413 400.45,1414 257,1415 5.174}
{0 CHEMBL1257887,1 1.334,2 7.714,3 4.658,4 21.693,5 87.568,6 6.321,7 0.478,8 3.872,9 4.006,10 3.309,11 3.415,12 4.795,13 3.358,14 4.455,15 4.66,16 3.626,17 3.812,18 5.287,19 3.722,20 4.705,21 4.956,22 3.732,23 3.949,24 5.495,25 3.839,26 4.694,27 4.941,28 3.674,29 3.932,30 5.503,31 3.813,32 4.697,33 4.946,34 3.619,35 3.939,36 5.474,37 3.8,38 4.703,39 4.949,40 3.508,41 3.929,42 5.423,43 3.764,44 4.739,45 5.013,46 3.31,47 3.839,48 5.423,49 3.645,50 4.632,51 4.925,52 2.965,53 3.638,54 5.272,55 3.4,56 0.051,57 0.631,58 10.892,59 4.502,60 7.437,61 6.369,62 0.144,63 1.032,64 19.751,65 7.502,66 15.251,67 10.855,68 0.191,69 1.278,70 25.329,71 9.034,72 21.222,73 13.562,74 0.232,75 1.287,76 25.221,77 8.696,78 23.22,79 13.186,80 0.295,81 1.256,82 25.164,83 9.169,84 23.681,85 13.677,86 0.161,87 1.23,88 24.974,89 9.859,90 17.738,91 14.277,92 0.23,93 1.19,94 26.115,95 9.658,96 21.294,97 14.072,98 0.211,99 1.001,100 23.346,101 8.786,102 20.279,103 12.656,104 12,105 31,106 0.233,107 0.549,108 0.766,109 0.854,110 0.87,111 0.87,112 3.105,113 1.052,114 -4.12,115 -4.07,116 -3.85,121 40,122 1,123 6,126 1,127 1,144 3,145 2,146 2,148 2,176 8,180 6,185 3,187 8,192 6,197 3,200 6,206 1,209 1,211 4,214 7,218 1,219 1,222 1,224 2,227 11,232 2,239 11,244 4,251 8,256 3,264 5,269 1,277 2,281 583,282 14.723,283 14.723,284 14.723,285 14.723,286 14.723,287 13.463,288 16.096,289 8.999,290 15.014,291 11.296,292 11.296,293 11.296,294 11.296,295 11.296,296 9.197,297 17.059,298 4.173,299 11.676,300 4.158,301 2.354,302 1.117,303 0.611,304 0.522,305 0.522,306 3.791,311 1,312 1,313 343,314 2.828,318 119.043,322 134.712,325 1.088,326 10.74,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 44,338 162,339 4.654,340 3.372,341 6.837,342 4.218,343 3.239,344 4.585,345 0.86,346 11.382,347 3.172,348 3.998,349 2.876,350 6.013,351 3.61,352 2.632,353 3.532,354 0.4,355 8.528,356 2.576,357 3.53,358 2.514,359 5.387,360 3.169,361 2.217,362 2.924,364 6.725,365 2.107,366 3.519,367 2.325,368 5.221,369 3.09,370 2.147,371 2.847,373 6.478,374 2.015,375 2.709,376 1.786,377 4.136,378 2.629,379 1.646,380 1.734,382 3.406,383 1.617,384 2.579,385 1.506,386 3.926,387 2.419,388 1.427,389 1.597,391 3.38,392 1.414,393 2.498,394 1.402,395 3.625,396 2.253,397 1.256,398 1.498,400 3.024,401 1.251,402 2.079,403 1.133,404 3.435,405 1.97,406 1,407 1.058,409 2.182,410 0.968,411 1.84,412 1.101,413 3.065,414 1.576,415 0.645,416 0.743,418 1.233,419 0.593,420 1.577,421 0.63,422 2.763,423 1.373,424 0.456,425 0.5,427 0.755,428 0.417,429 1.226,430 0.183,431 2.632,432 0.943,438 0.924,439 -0.252,440 2.508,441 0.566,442 -0.398,443 -0.486,445 -0.856,446 -0.381,447 0.683,448 -0.382,449 2.146,450 0.47,451 -0.505,452 -0.568,454 -1.043,455 -0.492,456 0.475,457 -0.613,458 2,459 0.15,460 -0.836,461 -0.978,463 -2.107,464 -0.816,465 0.176,466 -0.864,467 1.81,468 -0.016,469 -1,470 -1.224,472 -2.515,473 -0.981,474 10.133,475 0.483,476 0.342,477 0.016,478 24,479 1.143,480 11,481 0.524,482 13,483 0.619,484 19.237,485 0.916,486 23.467,487 0.521,488 14.301,489 0.681,490 4.155,491 0.198,492 6.175,493 0.294,494 0.099,496 0.296,501 0.911,502 1.316,503 0.954,504 1.18,505 0.862,506 1.086,507 1.194,508 1.155,509 0.965,510 1.022,511 0.93,512 0.983,513 0.993,514 1.077,515 0.861,516 0.909,517 0.896,518 0.874,519 1.076,520 1.081,521 1.048,522 0.999,523 1.163,524 1.005,525 0.811,526 0.978,527 1.054,528 1.007,529 0.931,530 1.035,531 0.85,532 1.172,533 1.126,534 1.223,535 0.947,536 1.202,537 1.255,538 1.013,539 1.176,540 1.105,541 1.276,542 1.13,543 1.285,544 1.012,545 1.147,546 1.106,547 1.217,548 1.126,549 3,551 2,552 1.25,553 1.431,554 0.583,555 0.442,556 0.236,557 0.143,558 0.067,559 3839,560 7148,561 2.102,562 53.3,563 11,564 8,567 1,568 2,569 2,572 1.64,573 2,574 2.945,575 -0.385,582 60.036,583 1.334,584 3.137,585 4.375,586 4.881,587 4.969,588 4.969,589 2.398,590 4.297,591 4.356,592 3.064,593 643.498,594 7.513,595 6686.58,597 1,600 247.133,601 1.268,602 4.338,603 0.13,605 0.065,606 0.037,607 0.046,608 0.02,609 0.018,610 0.012,611 0.012,612 0.013,613 0.353,614 0.83,615 1,616 1.483,617 92.719,618 0.02,619 -0.086,620 0.065,621 -0.026,622 0.078,623 0.017,624 -0.052,625 -0.056,626 0.05,627 0.031,628 0.1,629 0.045,630 0.005,631 -0.028,632 0.137,633 0.081,634 0.122,635 0.114,636 -0.039,637 0.014,638 -0.04,639 -0.025,640 -0.08,641 -0.03,642 0.117,643 0.091,644 -0.063,645 -0.016,646 0.007,647 -0.047,648 -0.045,649 -0.156,650 -0.161,651 -0.198,652 -0.096,653 -0.189,654 -0.137,655 -0.056,656 -0.194,657 -0.136,658 -0.208,659 -0.163,660 -0.118,661 -0.135,662 -0.178,663 -0.149,664 -0.145,665 -0.169,666 0.765,667 1.891,668 0.667,669 15.728,670 0.983,671 1.128,672 2.891,673 8.356,674 0.641,675 3.178,676 3.466,677 3.784,678 4.094,679 4.419,680 4.533,681 4.673,682 4.771,683 4.812,684 4.615,685 4.77,686 0.59,687 284.44,688 3.178,689 4.691,690 5.549,691 6.431,692 7.321,693 8.22,694 9.121,695 10.027,696 10.934,697 11.843,698 4.4,703 1,708 1,714 2,715 3,716 1,720 4,722 11,734 1,739 1,741 45,743 11,744 1,745 23,747 47,748 18,749 9,750 3,751 3,756 3,757 6,763 1,767 4,770 6,772 9,773 9,790 1,793 24,794 3,795 1,796 3,802 2,808 0.333,809 1,822 1,829 3,833 2,859 1,864 2,868 21,876 7,877 1,878 1,893 2.2,898 1,901 10.5,902 8.617,903 4.861,904 3.19,907 2.42,908 1.346,909 0.979,910 4.52,911 9.423,912 3.384,913 3.98,914 4.635,915 5.287,916 5.946,917 6.332,918 6.732,919 7.096,920 7.407,921 7.274,922 1,923 34,924 7.795,926 3.203,927 0.026,929 7.381,931 15.643,933 12.959,936 1.881,937 39.5,938 0.002,940 1,941 270.735,942 84.109,943 34.796,945 11,948 84.109,949 281.735,950 34.796,951 19.708,952 17.313,953 28.429,954 34.796,955 29.659,957 270.735,959 270.735,960 118.906,961 11,964 247.193,965 34.542,968 31.039,969 53.071,970 34.796,972 270.735,973 45.796,974 84.109,977 270.735,978 35.972,979 48.137,980 18.011,981 27.785,982 270.735,983 45.796,984 84.109,986 0.556,987 0.335,988 0.193,989 0.119,990 15,991 6,992 0.106,993 5,994 2,995 1.286,996 3.286,997 164.978,998 0.286,999 14,1000 92.239,1005 14.494,1006 6.549,1007 2.946,1008 2.279,1009 45.796,1010 6.194,1011 4.884,1015 4.914,1017 18.011,1018 400.641,1019 28.5,1031 44.251,1032 50.773,1034 0.243,1035 0.571,1036 0.797,1037 0.889,1038 0.905,1039 0.905,1040 4.603,1041 1,1042 5.509,1043 3.024,1044 4.143,1045 4.663,1046 1.029,1047 6.337,1048 4.083,1049 5.787,1050 0.645,1051 7.067,1052 2.182,1053 3.611,1054 4.559,1056 7.286,1057 3.526,1058 7.101,1059 0.456,1060 8.735,1061 1.233,1062 5.727,1063 6.945,1064 0.763,1065 10.444,1066 5.617,1067 8.46,1069 10.47,1070 0.755,1071 6.089,1072 7.727,1074 12.261,1075 5.957,1076 9.861,1077 -0.398,1078 12.249,1080 7.625,1081 9.583,1082 0.597,1083 14.936,1084 7.477,1085 11.288,1086 -0.505,1087 14.058,1088 -0.856,1089 8.42,1090 10.761,1092 17.107,1093 8.252,1094 12.737,1095 -0.836,1096 15.889,1097 -1.043,1098 9.722,1099 12.413,1100 0.47,1101 19.622,1102 9.538,1103 3.239,1104 -1,1105 17.736,1106 -2.107,1107 10.723,1108 13.777,1110 21.943,1111 10.52,1112 2.632,1113 11.382,1114 19.595,1115 -2.515,1116 11.934,1117 15.348,1118 0.367,1119 24.403,1120 11.715,1121 2.217,1122 8.528,1123 21.464,1124 4.585,1125 13.029,1126 16.798,1128 26.786,1129 12.791,1130 2.147,1131 6.725,1132 23.342,1133 3.532,1134 14.209,1135 18.338,1136 0.283,1137 29.227,1138 13.953,1139 1.646,1140 6.478,1141 25.226,1142 2.924,1143 15.346,1144 19.827,1146 31.636,1147 15.07,1148 1.427,1149 3.406,1150 27.116,1151 2.847,1152 16.517,1153 21.354,1154 0.217,1155 34.071,1156 16.222,1157 1.256,1158 3.38,1159 29.01,1160 1.734,1161 17.673,1162 22.861,1164 36.492,1165 17.357,1166 3839,1167 5357,1168 15.603,1169 28.841,1170 33.186,1171 33.945,1172 34.903,1173 33.311,1174 33.331,1175 42.037,1176 2.52,1177 94.186,1178 32.258,1179 5.601,1180 5.372,1181 6.744,1182 5.26,1183 5.239,1184 7.585,1185 1.72,1186 18.916,1187 5.172,1188 8.275,1189 1.443,1190 1.476,1191 1.518,1192 1.448,1193 1.449,1194 1.828,1195 0.11,1196 4.095,1197 1.403,1198 4.115,1199 4.143,1200 4.079,1201 4.04,1202 4.999,1203 4.046,1204 3.744,1205 3.786,1206 3.642,1207 3.652,1208 4.648,1209 3.643,1210 3.676,1211 3.752,1212 3.5,1213 3.528,1214 4.279,1215 3.51,1216 3.374,1217 3.438,1218 3.235,1219 3.197,1220 4.197,1221 3.197,1222 3.253,1223 3.333,1224 3.099,1225 3.022,1226 4.022,1227 3.03,1228 3.08,1229 3.169,1230 2.875,1231 2.903,1232 3.869,1233 2.876,1234 3.071,1235 3.154,1236 2.847,1237 2.872,1238 3.653,1239 2.858,1240 2.867,1241 2.945,1242 2.68,1243 2.722,1244 3.429,1245 2.703,1246 0.202,1247 0.147,1248 0.297,1249 0.183,1250 0.141,1251 4.654,1252 0.199,1253 3.372,1254 0.037,1255 6.837,1256 0.495,1257 4.218,1258 0.138,1259 3.239,1260 4.585,1261 0.86,1262 11.382,1263 3.172,1264 2.069,1265 2.046,1266 2.152,1267 2.163,1268 1.436,1269 2.161,1270 1.752,1271 1.711,1272 1.967,1273 1.881,1274 1.257,1275 1.912,1276 1.689,1277 1.618,1278 1.933,1279 1.875,1280 1.142,1281 1.899,1282 1.338,1283 1.278,1284 1.616,1285 1.581,1286 0.778,1287 1.595,1288 1.215,1289 1.138,1290 1.567,1291 1.503,1292 0.734,1293 1.526,1294 1.112,1295 1.025,1296 1.454,1297 1.328,1298 0.616,1299 1.375,1300 1.086,1301 1.003,1302 1.37,1303 1.292,1304 0.544,1305 1.325,1306 0.884,1307 0.815,1308 1.15,1309 1.081,1310 0.276,1311 1.11,1312 3.85,1314 5.142,1316 6.666,1318 8.309,1320 10.019,1322 3.946,1328 8.218,1329 3.672,1330 5.391,1340 26.552,1341 60.036,1342 141.185,1343 196.869,1344 219.624,1345 223.624,1346 223.624,1347 26.266,1348 7.003,1349 34.15,1350 34.15,1351 18,1352 12.36,1353 3.585,1354 2.7,1355 31.852,1356 57,1357 75,1358 0.276,1359 164.2,1360 278.67,1361 392.409,1362 9093,1364 14.656,1365 0.698,1366 0.621,1367 14.656,1368 13.037,1369 10.33,1370 0.449,1371 0.351,1372 7.989,1373 10.044,1374 7.752,1375 6.5,1376 10.33,1377 8.065,1378 8.615,1379 0.278,1380 0.187,1381 8.615,1382 5.783,1383 7.548,1384 0.176,1385 0.1,1386 7.548,1387 4.301,1388 6.404,1389 0.109,1390 0.053,1391 6.404,1392 3.122,1393 5.658,1394 0.069,1395 0.029,1396 5.658,1397 2.386,1398 0.411,1399 63.958,1400 0.253,1401 20.327,1402 0.827,1403 108,1404 247.714,1405 114.653,1406 241.152,1407 343.86,1408 230,1409 128,1410 262.052,1411 134.988,1412 267.453,1413 394.69,1414 253,1415 4.678}
{0 CHEMBL1257996,1 1.354,2 7.15,3 4.201,4 17.652,5 82.967,6 6.438,7 0.5,8 3.81,9 3.942,10 3.266,11 3.355,12 4.751,13 3.303,14 4.387,15 4.588,16 3.59,17 3.751,18 5.239,19 3.669,20 4.627,21 4.871,22 3.699,23 3.887,24 5.446,25 3.787,26 4.615,27 4.854,28 3.634,29 3.874,30 5.446,31 3.764,32 4.614,33 4.849,34 3.583,35 3.89,36 5.411,37 3.756,38 4.651,39 4.894,40 3.443,41 3.872,42 5.388,43 3.705,44 4.686,45 4.969,46 3.145,47 3.731,48 5.376,49 3.519,50 4.51,51 4.829,52 2.597,53 3.397,54 5.121,55 3.123,56 0.046,57 0.592,58 10.04,59 4.158,60 6.98,61 5.847,62 0.137,63 0.968,64 18.326,65 6.928,66 14.588,67 9.972,68 0.18,69 1.197,70 23.402,71 8.29,72 20.69,73 12.399,74 0.225,75 1.205,76 23.259,77 7.972,78 22.005,79 12.02,80 0.262,81 1.171,82 23.012,83 8.696,84 21.277,85 12.77,86 0.152,87 1.17,88 23.687,89 9.329,90 17.254,91 13.478,92 0.23,93 1.109,94 24.944,95 9.022,96 22.657,97 13.191,98 0.217,99 0.84,100 20.99,101 7.533,102 21.067,103 10.934,104 11,105 30,106 0.241,107 0.572,108 0.781,109 0.85,110 0.867,111 0.867,112 3.06,113 1.032,114 -3.88,115 -3.84,116 -3.65,121 40.5,122 1,123 5,126 1,127 1,144 3,145 2,146 2,148 2,176 7,180 6,185 3,187 7,192 6,197 3,200 6,206 1,209 1,211 3,214 7,218 1,219 1,222 1,224 2,227 11,232 2,239 9,244 4,251 6,256 2,264 2,281 476,282 14.016,283 14.016,284 14.016,285 14.016,286 14.016,287 12.756,288 16.096,289 8.499,290 14.307,291 10.796,292 10.796,293 10.796,294 10.796,295 10.796,296 8.697,297 17.059,298 3.918,299 11.181,300 4.038,301 2.174,302 0.995,303 0.607,304 0.512,305 0.512,306 3.745,311 1,312 1,313 304,314 2.646,318 110.118,322 124.12,325 0.98,326 10.459,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 42,338 143,339 4.654,340 3.372,341 6.837,342 4.218,343 3.238,344 4.585,345 0.86,346 11.382,347 3.172,348 3.998,349 2.876,350 6.013,351 3.61,352 2.632,353 3.532,354 0.4,355 8.528,356 2.576,357 3.53,358 2.513,359 5.387,360 3.167,361 2.215,362 2.924,364 6.724,365 2.105,366 3.519,367 2.323,368 5.221,369 3.089,370 2.146,371 2.847,373 6.478,374 2.014,375 2.647,376 1.73,377 4.136,378 2.48,379 1.51,380 1.688,382 3.384,383 1.463,384 2.533,385 1.46,386 3.905,387 2.409,388 1.417,389 1.536,391 3.247,392 1.404,393 2.466,394 1.4,395 3.604,396 2.253,397 1.256,398 1.465,400 2.919,401 1.251,402 1.977,403 1.101,404 3.269,405 1.811,406 0.83,407 0.924,409 1.809,410 0.812,411 1.765,412 0.941,413 3.032,414 1.478,415 0.593,416 0.669,418 1.048,419 0.519,420 1.386,421 0.395,422 2.715,423 1.158,424 0.225,425 0.253,427 0.379,428 0.209,429 1.013,430 0.004,431 2.523,432 0.741,433 -0.211,434 -0.246,436 -0.412,437 -0.2,438 0.923,439 -0.271,440 2.311,441 0.564,442 -0.402,443 -0.498,445 -0.94,446 -0.387,447 0.547,448 -0.602,449 2.138,450 0.15,451 -0.835,452 -0.927,454 -1.915,455 -0.816,456 0.241,457 -0.755,458 2,459 0.105,460 -0.88,461 -1.113,463 -2.23,464 -0.864,465 0.148,466 -0.887,467 1.593,468 -0.145,469 -1.107,470 -1.325,472 -2.878,473 -1.05,474 9.633,475 0.482,476 0.342,477 0.017,478 23.5,479 1.175,480 11,481 0.55,482 12.5,483 0.625,484 17.517,485 0.876,486 22.167,487 0.528,488 13.979,489 0.699,490 4.155,491 0.208,492 5.675,493 0.284,494 0.104,496 0.311,501 0.908,502 1.305,503 0.93,504 1.162,505 0.864,506 1.063,507 1.201,508 1.135,509 0.939,510 0.991,511 0.937,512 0.951,513 1.011,514 1.086,515 0.859,516 0.904,517 0.902,518 0.868,519 1.115,520 1.039,521 1.068,522 0.977,523 1.211,524 0.997,525 0.708,526 1.043,527 1.064,528 1.084,529 0.864,530 1.097,531 0.848,532 1.206,533 1.163,534 1.27,535 0.949,536 1.249,537 1.248,538 1.022,539 1.197,540 1.124,541 1.289,542 1.152,543 1.359,544 0.876,545 1.1,546 0.993,547 1.263,548 1.03,549 3,551 2,552 1.25,553 1.431,554 0.583,555 0.442,556 0.22,557 0.098,558 0.016,559 3298,560 6363,561 2.107,562 52.4,563 9,564 8,567 1,568 2,569 2,572 1.627,573 2,574 2.853,575 -0.37,577 1,582 56.883,583 1.354,584 3.218,585 4.398,586 4.785,587 4.88,588 4.88,589 2.228,590 3.984,591 4.289,592 2.949,593 560.384,594 7.378,595 5592.53,597 1,599 1,600 226.477,601 1.295,602 4.266,603 0.136,605 0.067,606 0.038,607 0.048,608 0.021,609 0.019,610 0.015,611 0.014,612 0.008,613 0.365,614 0.83,615 1,616 1.313,617 86.106,618 0.014,619 -0.09,620 0.066,621 -0.028,622 0.063,623 0.017,624 -0.059,625 -0.043,626 0.065,627 0.052,628 0.09,629 0.065,630 -0.007,631 -0.031,632 0.135,633 0.082,634 0.119,635 0.115,636 -0.072,637 0.066,638 -0.065,639 -0.008,640 -0.132,641 -0.029,642 0.143,643 0.021,644 -0.09,645 -0.075,646 0.023,647 -0.098,648 -0.054,649 -0.199,650 -0.207,651 -0.251,652 -0.103,653 -0.243,654 -0.137,655 -0.094,656 -0.22,657 -0.175,658 -0.206,659 -0.199,660 -0.12,661 -0.055,662 -0.124,663 -0.074,664 -0.134,665 -0.097,666 0.769,667 1.87,668 0.7,669 13.58,670 0.985,671 1.128,672 2.653,673 7.039,674 0.645,675 3.135,676 3.434,677 3.761,678 4.078,679 4.407,680 4.511,681 4.635,682 4.718,683 4.754,684 4.522,685 4.467,686 0.596,687 270.41,688 3.135,689 4.654,690 5.517,691 6.405,692 7.299,693 8.202,694 9.106,695 10.014,696 10.922,697 11.832,698 4.8,703 1,708 1,714 2,715 3,716 1,720 4,722 11,734 1,739 1,741 42,743 11,744 1,745 22,747 44,748 17,749 9,750 3,751 3,756 3,757 6,763 1,767 4,770 5,772 9,773 8,790 1,793 22,794 3,795 1,796 3,802 2,808 0.333,809 1,822 1,829 3,833 2,859 1,864 2,868 20,876 6,877 1,878 1,893 2.4,898 1,901 10,902 8.117,903 4.611,904 2.94,907 2.419,908 1.35,909 0.985,910 3.995,911 9.339,912 3.35,913 3.961,914 4.625,915 5.282,916 5.943,917 6.326,918 6.722,919 7.081,920 7.39,921 7.239,922 0.8,923 33,924 7.416,926 3.059,927 0.026,929 7.4,931 14.826,933 12.293,936 1.9,937 38,938 0.002,941 247.193,942 81.575,943 34.796,945 11,948 81.575,949 258.193,950 34.796,951 19.708,952 14.778,953 28.429,954 34.796,955 29.659,957 247.193,959 247.193,960 116.371,961 11,964 223.651,965 34.542,968 28.504,969 53.071,970 34.796,972 247.193,973 45.796,974 81.575,977 247.193,978 33.438,979 48.137,980 18.011,981 27.785,982 247.193,983 45.796,984 81.575,986 0.559,987 0.34,988 0.199,989 0.126,990 15,991 6,992 0.091,993 4,994 2,995 1.286,996 3.172,997 156.01,998 0.286,999 14,1000 86.439,1005 13.537,1006 5.903,1007 2.593,1008 2.267,1009 45.796,1010 6.17,1011 4.864,1015 4.887,1017 18.011,1018 374.564,1019 27.5,1031 41.367,1032 47.358,1034 0.251,1035 0.597,1036 0.816,1037 0.887,1038 0.905,1039 0.905,1040 4.572,1041 0.83,1042 5.485,1043 2.919,1044 4.111,1045 4.644,1046 1.029,1047 6.323,1048 4.049,1049 5.766,1050 0.593,1051 7.05,1052 1.809,1053 3.611,1054 4.559,1056 7.286,1057 3.526,1058 7.085,1059 0.225,1060 8.723,1061 1.048,1062 5.707,1063 6.939,1064 0.763,1065 10.441,1066 5.595,1067 8.45,1068 -0.211,1069 10.463,1070 0.379,1071 6.089,1072 7.727,1074 12.261,1075 5.957,1076 9.853,1077 -0.402,1078 12.244,1079 -0.412,1080 7.615,1081 9.581,1082 0.597,1083 14.935,1084 7.465,1085 11.283,1086 -0.835,1087 14.055,1088 -0.94,1089 8.42,1090 10.761,1092 17.107,1093 8.252,1094 12.734,1095 -0.88,1096 15.887,1097 -1.915,1098 9.717,1099 12.413,1100 0.47,1101 19.622,1102 9.534,1103 3.238,1104 -1.107,1105 17.735,1106 -2.23,1107 10.723,1108 13.777,1110 21.943,1111 10.52,1112 2.632,1113 11.382,1114 19.594,1115 -2.878,1116 11.932,1117 15.348,1118 0.367,1119 24.403,1120 11.714,1121 2.215,1122 8.528,1123 21.464,1124 4.585,1125 13.029,1126 16.798,1128 26.786,1129 12.791,1130 2.146,1131 6.724,1132 23.342,1133 3.532,1134 14.208,1135 18.338,1136 0.283,1137 29.227,1138 13.952,1139 1.51,1140 6.478,1141 25.226,1142 2.924,1143 15.346,1144 19.827,1146 31.636,1147 15.069,1148 1.417,1149 3.384,1150 27.116,1151 2.847,1152 16.517,1153 21.354,1154 0.217,1155 34.071,1156 16.221,1157 1.256,1158 3.247,1159 29.01,1160 1.688,1161 17.673,1162 22.861,1164 36.492,1165 17.357,1166 3298,1167 4685,1168 14.909,1169 27.08,1170 31.951,1171 32.696,1172 33.716,1173 32.072,1174 32.126,1175 40.848,1176 2.52,1177 91.798,1178 31.05,1179 5.6,1180 5.372,1181 6.695,1182 5.26,1183 5.238,1184 7.585,1185 1.72,1186 18.916,1187 5.172,1188 7.903,1189 1.452,1190 1.486,1191 1.533,1192 1.458,1193 1.46,1194 1.857,1195 0.115,1196 4.173,1197 1.411,1198 4.115,1199 4.143,1200 4.079,1201 4.039,1202 4.999,1203 4.046,1204 3.744,1205 3.786,1206 3.641,1207 3.652,1208 4.648,1209 3.643,1210 3.619,1211 3.701,1212 3.443,1213 3.452,1214 4.278,1215 3.437,1216 3.349,1217 3.402,1218 3.213,1219 3.169,1220 4.196,1221 3.169,1222 3.195,1223 3.273,1224 3.046,1225 2.999,1226 3.944,1227 3.002,1228 3.078,1229 3.165,1230 2.874,1231 2.874,1232 3.86,1233 2.859,1234 2.946,1235 3.054,1236 2.707,1237 2.737,1238 3.566,1239 2.719,1240 2.835,1241 2.914,1242 2.626,1243 2.653,1244 3.412,1245 2.631,1246 0.212,1247 0.153,1248 0.311,1249 0.192,1250 0.147,1251 4.654,1252 0.208,1253 3.372,1254 0.039,1255 6.837,1256 0.517,1257 4.218,1258 0.144,1259 3.238,1260 4.585,1261 0.86,1262 11.382,1263 3.172,1264 2.069,1265 2.046,1266 2.151,1267 2.163,1268 1.435,1269 2.161,1270 1.752,1271 1.711,1272 1.94,1273 1.88,1274 1.183,1275 1.902,1276 1.626,1277 1.549,1278 1.91,1279 1.832,1280 1.117,1281 1.862,1282 1.301,1283 1.249,1284 1.586,1285 1.556,1286 0.757,1287 1.565,1288 1.18,1289 1.106,1290 1.49,1291 1.422,1292 0.641,1293 1.45,1294 1.092,1295 1.006,1296 1.426,1297 1.319,1298 0.556,1299 1.361,1300 0.956,1301 0.854,1302 1.311,1303 1.222,1304 0.485,1305 1.258,1306 0.861,1307 0.781,1308 1.137,1309 1.048,1310 0.243,1311 1.084,1312 3.807,1314 5.106,1316 6.64,1318 8.291,1320 10.008,1322 3.912,1328 6.908,1329 3.621,1330 5.37,1340 25.026,1341 56.883,1342 135.154,1343 184.703,1344 200.968,1345 204.968,1346 204.968,1347 23.808,1348 6.92,1349 34.15,1350 34.15,1351 18,1352 12.348,1353 3.585,1354 2.7,1355 29.617,1356 52,1357 60,1358 0.289,1359 154.608,1360 261.37,1361 369.003,1362 8076,1364 13.949,1365 0.697,1366 0.617,1367 13.949,1368 12.33,1369 9.83,1370 0.447,1371 0.344,1372 7.489,1373 9.544,1374 7.261,1375 6.083,1376 9.83,1377 7.565,1378 8.261,1379 0.275,1380 0.181,1381 8.261,1382 5.429,1383 7.298,1384 0.174,1385 0.096,1386 7.298,1387 4.021,1388 6.214,1389 0.107,1390 0.051,1391 6.214,1392 2.982,1393 5.582,1394 0.069,1395 0.029,1396 5.582,1397 2.334,1398 0.426,1399 60.958,1400 0.259,1401 19.32,1402 0.881,1403 104,1404 243.714,1405 110.653,1406 236.99,1407 338.1,1408 226,1409 124,1410 258.052,1411 130.988,1412 263.291,1413 388.91,1414 249,1415 5.036}
{0 CHEMBL1257997,1 1.377,2 6.842,3 3.678,4 13.525,5 78.443,6 6.574,7 0.524,8 3.744,9 3.873,10 3.22,11 3.291,12 4.705,13 3.245,14 4.315,15 4.511,16 3.552,17 3.687,18 5.191,19 3.614,20 4.542,21 4.777,22 3.661,23 3.827,24 5.385,25 3.737,26 4.525,27 4.748,28 3.599,29 3.822,30 5.382,31 3.718,32 4.557,33 4.788,34 3.522,35 3.831,36 5.375,37 3.696,38 4.593,39 4.845,40 3.3,41 3.768,42 5.339,43 3.587,44 4.571,45 4.877,46 2.848,47 3.514,48 5.242,49 3.277,50 4.218,51 4.551,52 2.153,53 3.024,54 4.788,55 2.732,56 0.04,57 0.553,58 9.176,59 3.813,60 6.499,61 5.32,62 0.13,63 0.903,64 16.876,65 6.352,66 14.403,67 9.075,68 0.173,69 1.114,70 21.41,71 7.563,72 19.323,73 11.219,74 0.19,75 1.118,76 20.991,77 7.487,78 19.427,79 11.063,80 0.252,81 1.111,82 21.63,83 8.147,84 20.632,85 11.927,86 0.148,87 1.088,88 22.393,89 8.676,90 18.235,91 12.563,92 0.237,93 0.95,94 22.63,95 7.785,96 23.63,97 11.478,98 0.193,99 0.591,100 16.044,101 5.653,102 17.04,103 8.105,104 10,105 29,106 0.249,107 0.595,108 0.796,109 0.845,110 0.864,111 0.864,112 3.013,113 1.009,114 -3.64,115 -3.61,116 -3.44,121 41,122 1,123 4,126 1,127 1,144 3,145 2,146 2,148 2,176 6,180 6,185 3,187 7,192 6,197 2,200 6,206 1,209 1,211 3,214 7,218 1,219 1,222 1,224 2,227 9,232 2,239 7,244 3,251 3,256 1,281 380,282 13.309,283 13.309,284 13.309,285 13.309,286 13.309,287 12.049,288 16.096,289 7.974,290 13.635,291 10.296,292 10.296,293 10.296,294 10.296,295 10.296,296 8.197,297 17.059,298 3.622,299 10.694,300 3.909,301 1.987,302 0.879,303 0.603,304 0.5,305 0.5,306 3.696,310 1,311 1,312 1,313 278,314 2.449,318 101.798,322 114.164,325 1.025,326 10.019,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 40,338 130,339 4.654,340 3.372,341 6.836,342 4.218,343 3.238,344 4.585,345 0.86,346 11.382,347 3.171,348 3.998,349 2.876,350 6.013,351 3.61,352 2.632,353 3.532,354 0.4,355 8.528,356 2.576,357 3.529,358 2.512,359 5.386,360 3.163,361 2.211,362 2.924,364 6.718,365 2.1,366 3.517,367 2.318,368 5.221,369 3.086,370 2.143,371 2.846,373 6.478,374 2.012,375 2.621,376 1.657,377 4.136,378 2.424,379 1.436,380 1.663,382 3.384,383 1.418,384 2.512,385 1.408,386 3.87,387 2.253,388 1.271,389 1.512,391 3.146,392 1.252,393 2.309,394 1.372,395 3.588,396 2.224,397 1.255,398 1.304,400 2.667,401 1.209,402 1.9,403 1.101,404 3.114,405 1.654,406 0.693,407 0.808,409 1.395,410 0.661,411 1.659,412 0.746,413 2.901,414 1.407,415 0.515,416 0.571,418 0.845,419 0.456,420 1.247,421 0.201,422 2.687,423 0.936,429 0.924,430 -0.258,431 2.514,432 0.565,433 -0.4,434 -0.493,436 -0.903,437 -0.383,438 0.63,439 -0.492,440 2.147,441 0.331,442 -0.645,443 -0.731,445 -1.283,446 -0.628,447 0.397,448 -0.624,449 2,450 0.15,451 -0.836,452 -1.018,454 -2.153,455 -0.817,456 0.15,457 -0.886,458 1.73,459 -0.132,460 -1.103,461 -1.325,463 -2.877,464 -1.049,465 0.099,466 -1.01,467 1.582,468 -0.161,469 -1.133,470 -1.383,472 -2.935,473 -1.106,474 9.133,475 0.481,476 0.342,477 0.018,478 23,479 1.211,480 11,481 0.579,482 12,483 0.632,484 15.819,485 0.833,486 20.867,487 0.535,488 13.608,489 0.716,490 4.176,491 0.22,492 5.154,493 0.271,494 0.109,496 0.328,501 0.906,502 1.293,503 0.903,504 1.142,505 0.866,506 1.038,507 1.21,508 1.113,509 0.911,510 0.955,511 0.928,512 0.914,513 1.05,514 1.042,515 0.865,516 0.872,517 0.944,518 0.846,519 1.021,520 1.116,521 1.081,522 1.06,523 1.158,524 1.063,525 0.707,526 1.075,527 1.103,528 1.128,529 0.868,530 1.144,531 0.842,532 1.225,533 1.187,534 1.301,535 0.964,536 1.282,537 1.307,538 0.895,539 1.158,540 1.02,541 1.335,542 1.065,543 1.534,544 0.731,545 1.021,546 0.841,547 1.3,548 0.897,549 3,551 2,552 1.25,553 1.431,554 0.583,555 0.422,556 0.161,557 0.033,558 0.016,559 2845,560 5702,561 2.113,562 51.3,563 6,564 8,567 1,568 2,569 3,572 1.612,573 2,574 2.791,575 -0.353,577 1,579 1,582 53.692,583 1.377,584 3.298,585 4.407,586 4.683,587 4.785,588 4.785,589 2.249,590 4.143,591 4.218,592 2.867,593 490.31,594 7.231,595 4670.92,596 1,597 1,599 1,600 206.131,601 1.324,602 4.189,603 0.143,605 0.069,606 0.039,607 0.049,608 0.022,609 0.022,610 0.016,611 0.008,612 0.016,613 0.385,614 1,615 1,616 1.131,617 79.774,618 0.008,619 -0.095,620 0.067,621 -0.03,622 0.045,623 0.018,624 -0.067,625 -0.028,626 0.082,627 0.076,628 0.098,629 0.088,630 -0.04,631 0.02,632 0.124,633 0.111,634 0.076,635 0.13,636 -0.057,637 -0.012,638 -0.099,639 -0.075,640 -0.13,641 -0.088,642 0.13,643 -0.017,644 -0.14,645 -0.128,646 0.012,647 -0.154,648 -0.052,649 -0.249,650 -0.238,651 -0.303,652 -0.101,653 -0.29,654 -0.14,655 -0.013,656 -0.171,657 -0.104,658 -0.202,659 -0.132,660 -0.136,661 0.021,662 -0.023,663 0.07,664 -0.132,665 0.033,666 0.774,667 1.844,668 0.737,669 11.789,670 0.987,671 1.127,672 2.41,673 5.807,674 0.649,675 3.091,676 3.401,677 3.738,678 4.06,679 4.382,680 4.466,681 4.575,682 4.654,683 4.673,684 4.419,685 4.223,686 0.603,687 256.38,688 3.091,689 4.615,690 5.485,691 6.378,692 7.276,693 8.181,694 9.087,695 9.996,696 10.905,697 11.815,698 5.1,703 1,708 1,714 2,715 3,716 1,720 4,722 11,734 1,739 1,741 39,743 11,744 1,745 21,747 41,748 16,749 9,750 3,751 3,756 3,757 6,763 1,767 4,770 4,772 9,773 7,790 1,793 20,794 3,795 1,796 3,802 2,808 0.333,809 1,822 1,829 3,833 2,859 1,864 2,868 19,876 5,877 1,878 1,893 2.6,898 1,901 9.5,902 7.617,903 4.361,904 2.69,907 2.416,908 1.354,909 0.992,910 3.496,911 9.246,912 3.314,913 3.942,914 4.615,915 5.277,916 5.935,917 6.311,918 6.701,919 7.058,920 7.359,921 7.188,922 0.8,923 32,924 7.036,926 2.915,927 0.026,929 7.421,931 14.01,933 11.626,936 1.921,937 36.5,938 0.003,941 223.651,942 79.04,943 34.796,945 11,948 79.04,949 234.651,950 34.796,951 19.708,952 12.244,953 28.429,954 34.796,955 29.659,957 223.651,959 223.651,960 113.837,961 11,964 188.338,965 46.313,968 25.97,969 53.071,970 34.796,972 223.651,973 45.796,974 79.04,977 223.651,978 30.903,979 48.137,980 18.011,981 27.785,982 223.651,983 45.796,984 79.04,986 0.562,987 0.348,988 0.209,989 0.13,990 15,991 6,992 0.073,993 3,994 2,995 1.286,996 3.065,997 146.717,998 0.286,999 14,1000 80.711,1005 12.585,1006 5.278,1007 2.243,1008 2.249,1009 45.796,1010 6.138,1011 4.839,1015 4.846,1017 18.011,1018 348.488,1019 26.5,1031 38.483,1032 43.943,1034 0.26,1035 0.624,1036 0.834,1037 0.886,1038 0.905,1039 0.905,1040 4.541,1041 0.693,1042 5.46,1043 2.667,1044 4.078,1045 4.625,1046 1.029,1047 6.308,1048 4.013,1049 5.743,1050 0.515,1051 7.033,1052 1.395,1053 3.611,1054 4.559,1056 7.286,1057 3.526,1058 7.069,1060 8.712,1061 0.845,1062 5.687,1063 6.934,1064 0.763,1065 10.438,1066 5.574,1067 8.439,1068 -0.4,1069 10.455,1071 6.089,1072 7.727,1074 12.261,1075 5.957,1076 9.846,1077 -0.645,1078 12.24,1079 -0.903,1080 7.605,1081 9.58,1082 0.597,1083 14.934,1084 7.456,1085 11.278,1086 -0.836,1087 14.052,1088 -1.283,1089 8.42,1090 10.761,1092 17.107,1093 8.252,1094 12.73,1095 -1.103,1096 15.885,1097 -2.153,1098 9.713,1099 12.412,1100 0.47,1101 19.621,1102 9.53,1103 3.238,1104 -1.133,1105 17.733,1106 -2.877,1107 10.722,1108 13.777,1110 21.942,1111 10.52,1112 2.632,1113 11.382,1114 19.594,1115 -2.935,1116 11.93,1117 15.348,1118 0.367,1119 24.402,1120 11.712,1121 2.211,1122 8.528,1123 21.463,1124 4.585,1125 13.028,1126 16.798,1128 26.785,1129 12.79,1130 2.143,1131 6.718,1132 23.341,1133 3.532,1134 14.207,1135 18.338,1136 0.283,1137 29.226,1138 13.951,1139 1.436,1140 6.478,1141 25.225,1142 2.924,1143 15.345,1144 19.826,1146 31.636,1147 15.069,1148 1.271,1149 3.384,1150 27.115,1151 2.846,1152 16.515,1153 21.354,1154 0.217,1155 34.07,1156 16.22,1157 1.255,1158 3.146,1159 29.01,1160 1.663,1161 17.672,1162 22.861,1164 36.491,1165 17.356,1166 2841,1167 4115,1168 14.216,1169 25.319,1170 30.686,1171 31.431,1172 32.417,1173 30.766,1174 30.788,1175 39.492,1176 2.52,1177 89.085,1178 29.711,1179 5.6,1180 5.372,1181 6.595,1182 5.259,1183 5.238,1184 7.585,1185 1.72,1186 18.915,1187 5.171,1188 7.511,1189 1.461,1190 1.497,1191 1.544,1192 1.465,1193 1.466,1194 1.881,1195 0.12,1196 4.242,1197 1.415,1198 4.114,1199 4.142,1200 4.078,1201 4.039,1202 4.999,1203 4.045,1204 3.744,1205 3.786,1206 3.641,1207 3.652,1208 4.648,1209 3.642,1210 3.535,1211 3.623,1212 3.365,1213 3.339,1214 4.278,1215 3.332,1216 3.328,1217 3.382,1218 3.187,1219 3.129,1220 4.196,1221 3.129,1222 3.144,1223 3.218,1224 2.978,1225 2.982,1226 3.886,1227 2.976,1228 3.078,1229 3.165,1230 2.874,1231 2.873,1232 3.805,1233 2.859,1234 2.877,1235 2.959,1236 2.685,1237 2.725,1238 3.462,1239 2.706,1240 2.639,1241 2.766,1242 2.458,1243 2.496,1244 3.343,1245 2.48,1246 0.222,1247 0.161,1248 0.326,1249 0.201,1250 0.154,1251 4.654,1252 0.218,1253 3.372,1254 0.041,1255 6.836,1256 0.542,1257 4.218,1258 0.151,1259 3.238,1260 4.585,1261 0.86,1262 11.382,1263 3.171,1264 2.069,1265 2.046,1266 2.151,1267 2.163,1268 1.434,1269 2.16,1270 1.752,1271 1.711,1272 1.937,1273 1.88,1274 1.155,1275 1.902,1276 1.527,1277 1.443,1278 1.828,1279 1.764,1280 0.976,1281 1.79,1282 1.273,1283 1.219,1284 1.581,1285 1.545,1286 0.753,1287 1.555,1288 1.157,1289 1.086,1290 1.463,1291 1.356,1292 0.625,1293 1.396,1294 1.091,1295 1.005,1296 1.387,1297 1.312,1298 0.546,1299 1.345,1300 0.889,1301 0.819,1302 1.156,1303 1.101,1304 0.269,1305 1.126,1306 0.644,1307 0.574,1308 1.068,1309 0.961,1310 0.158,1311 1.005,1312 3.761,1314 5.069,1316 6.613,1318 8.274,1320 9.996,1322 3.849,1328 5.7,1329 3.534,1330 5.344,1340 23.499,1341 53.692,1342 128.621,1343 171.866,1344 182.621,1345 186.621,1346 186.621,1347 21.355,1348 6.83,1349 34.15,1350 34.15,1351 18,1352 12.33,1353 3.585,1354 2.7,1355 27.497,1356 48,1357 51,1358 0.3,1359 145.016,1360 244.07,1361 345.598,1362 7146,1364 13.242,1365 0.697,1366 0.612,1367 13.242,1368 11.623,1369 9.33,1370 0.444,1371 0.336,1372 6.989,1373 9.036,1374 6.774,1375 5.655,1376 9.33,1377 7.065,1378 7.908,1379 0.273,1380 0.174,1381 7.908,1382 5.033,1383 7.029,1384 0.171,1385 0.093,1386 7.029,1387 3.823,1388 6.107,1389 0.107,1390 0.051,1391 6.107,1392 2.909,1393 5.472,1394 0.069,1395 0.029,1396 5.472,1397 2.268,1398 0.439,1399 57.958,1400 0.265,1401 18.347,1402 0.924,1403 100,1404 239.714,1405 106.653,1406 232.745,1407 332.3,1408 222,1409 120,1410 254.052,1411 126.821,1412 258.95,1413 382.71,1414 245,1415 4.18}
{0 CHEMBL1262,1 1.8,2 10.346,3 5.926,4 35.122,5 106.097,6 11.004,7 0.607,8 3.787,9 3.867,10 3.683,11 3.447,12 4.998,13 3.421,14 4.261,15 4.382,16 4.077,17 3.826,18 5.448,19 3.778,20 4.463,21 4.603,22 4.154,23 3.929,24 5.626,25 3.832,26 4.483,27 4.641,28 4.281,29 3.801,30 5.732,31 3.716,32 4.348,33 4.523,34 3.922,35 3.611,36 5.525,37 3.581,38 4.339,39 4.498,40 3.995,41 3.732,42 5.507,43 3.678,44 4.384,45 4.53,46 4.031,47 3.849,48 5.549,49 3.743,50 4.407,51 4.608,52 3.977,53 3.834,54 5.461,55 3.704,56 0.143,57 0.508,58 1.966,59 2.701,60 7.776,61 3.125,62 0.308,63 0.806,64 6.352,65 4.78,66 15.075,67 4.996,68 0.439,69 0.894,70 17.706,71 6.91,72 31.867,73 7.545,74 0.738,75 0.873,76 31.561,77 7.831,78 52.614,79 8.038,80 0.592,81 0.842,82 19.868,83 6.286,84 40.374,85 6.231,86 0.552,87 0.817,88 15.569,89 6.049,90 34.596,91 6.115,92 0.495,93 0.81,94 19.014,95 6.646,96 34.694,97 7.638,98 0.412,99 0.858,100 20.469,101 7.471,102 30.924,103 9.222,104 17,105 38,106 0.318,107 0.626,108 0.782,109 0.88,110 0.907,111 0.916,112 3.304,113 0.973,114 -6.06,115 -5.91,116 -5.49,121 46.2,127 2,144 6,145 2,146 4,147 1,153 1,159 1,162 1,168 1,176 4,179 1,180 2,187 14,191 1,192 5,200 6,205 1,206 9,214 6,218 1,219 10,227 1,231 1,232 4,239 2,244 7,251 7,256 4,264 6,269 2,277 11,281 1170,282 17.361,283 17.361,284 17.361,285 17.361,286 17.361,287 14.861,288 16.38,289 10.348,290 18.128,291 13.815,292 13.815,293 13.815,294 13.815,295 13.815,296 10.226,297 17.474,298 4.93,299 15.234,300 3.485,301 1.745,302 0.859,303 0.308,304 0.154,305 0.103,306 3.982,308 4,312 1,313 570,314 3.24,317 83.388,318 195.413,325 1.32,326 24.504,329 0.75,330 0.83,331 1,332 0.4,334 1,335 1,336 0.71,337 55.833,338 269,339 4.387,340 4.024,341 6.468,342 3.977,343 3.025,344 4.018,345 2.499,346 10.029,347 2.866,348 4.228,349 3.291,350 6.057,351 3.783,352 2.852,353 3.879,354 0.871,355 8.701,356 2.622,357 3.941,358 3.22,359 5.462,360 3.465,361 2.555,362 3.495,363 0.311,364 7.253,365 2.309,366 3.678,367 2.862,368 5.14,369 3.165,370 2.264,371 3.068,373 6.28,374 1.99,375 3.465,376 2.737,377 4.96,378 3.008,379 2.13,380 2.778,382 5.822,383 1.79,384 3.207,385 2.654,386 4.71,387 2.676,388 1.816,389 2.406,391 4.901,392 1.483,393 2.86,394 2.276,395 4.189,396 2.404,397 1.524,398 1.99,400 3.825,401 1.261,402 2.747,403 2.013,404 3.973,405 2.257,406 1.309,407 1.837,409 3.287,410 1.195,411 2.602,412 1.47,413 3.497,414 2.149,415 1.22,416 1.626,418 2.678,419 1.125,420 2.146,421 1.181,422 3.304,423 1.83,424 0.909,425 1.094,427 2.103,428 0.816,429 2.118,430 0.982,431 3,432 1.554,433 0.618,434 0.927,436 1.372,437 0.577,438 1.484,439 0.618,440 2.774,441 1.156,442 0.255,443 0.297,445 0.588,446 0.204,447 1.219,448 0.437,449 2.646,450 0.799,451 -0.059,452 -0.071,454 -0.143,455 -0.043,456 0.983,457 0.333,458 2.359,459 0.514,460 -0.344,461 -0.425,463 -0.845,464 -0.274,465 0.796,466 0.256,467 2.359,468 0.273,469 -0.514,470 -0.621,472 -1.242,473 -0.293,474 13.39,475 0.515,476 0.647,477 0.025,478 34.5,479 1.327,480 17.5,481 0.673,482 17,483 0.654,484 21.451,485 0.825,486 26.81,487 0.687,488 23.969,489 0.922,490 7.033,491 0.27,492 5.492,493 0.211,494 0.213,496 0.291,501 0.596,502 1.229,503 0.47,504 0.747,505 0.557,506 0.747,507 0.949,508 1.007,509 0.62,510 0.666,511 0.734,512 0.754,513 1.117,514 1.121,515 1.082,516 1.11,517 1.156,518 1.134,519 1.158,520 1.152,521 0.944,522 1.086,523 1.03,524 1.042,525 1.184,526 1.038,527 0.783,528 0.941,529 0.939,530 0.878,531 1.082,532 0.846,533 0.723,534 0.745,535 0.848,536 0.796,537 0.722,538 1.086,539 1.021,540 1.226,541 0.903,542 1.218,543 0.656,544 0.911,545 0.792,546 0.855,547 0.766,548 0.934,549 5.5,550 0.208,551 2.889,552 1.847,553 1.142,554 0.66,555 0.42,556 0.446,557 0.348,558 0.203,559 7865,560 32269,561 2.037,562 33.3,564 10,565 1,566 2,572 1.694,573 1.902,574 3.308,575 -0.684,582 70.211,583 1.8,584 3.541,585 4.426,586 4.978,587 5.132,588 5.183,589 2.609,590 4.162,591 4.673,592 3.478,593 1130.39,594 8.117,595 14562.2,600 206.131,601 1.42,602 4.628,603 0.196,604 0.011,605 0.076,606 0.051,607 0.035,608 0.021,609 0.013,610 0.014,611 0.012,612 0.007,613 0.436,614 0.33,615 0.88,616 0.596,617 127.614,618 0.053,619 -0.142,620 0.006,621 -0.037,622 -0.005,623 -0.025,624 -0.148,625 0.085,626 -0.001,627 0.133,628 -0.049,629 0.048,630 -0.186,631 -0.13,632 -0.172,633 -0.185,634 -0.222,635 -0.216,636 0.065,637 -0.185,638 0.079,639 -0.072,640 0.084,641 -0.058,642 -0.043,643 0.037,644 -0.013,645 -0.004,646 0.005,647 0.055,648 -0.041,649 0.199,650 0.016,651 0.172,652 0.007,653 0.123,654 0.089,655 -0.124,656 -0.136,657 -0.295,658 -0.045,659 -0.261,660 0.038,661 0.053,662 0.083,663 0.145,664 0.035,665 0.147,666 1.297,667 2.21,668 0.654,669 21.846,670 1.029,671 1.112,672 4.829,673 23.319,674 0.775,675 3.367,676 3.664,677 3.871,678 4.078,679 4.174,680 4.19,681 4.159,682 4.263,683 4.317,684 4.317,685 6.278,686 0.738,687 429.14,688 3.367,689 4.89,690 5.714,691 6.569,692 7.407,693 8.265,694 9.107,695 9.967,696 10.812,697 11.672,698 7.7,706 1,707 1,708 1,715 9,716 1,720 6,721 1,722 17,726 1,740 4,741 39,743 18,744 2,745 28,747 41,748 18,749 15,750 6,751 6,752 1,756 3,757 3,758 4,772 16,773 2,777 1,785 1,786 1,793 13,794 3,796 8,797 4,799 1,802 3,808 1,809 1,828 1,829 2,859 3,865 4,868 26,876 2,878 1,892 4,893 2.6,898 1,901 13.667,902 7.088,903 5.75,904 2.114,907 2.66,908 1.394,909 0.978,910 6.7,911 9.411,912 3.651,913 4.252,914 4.77,915 5.28,916 5.637,917 5.761,918 5.88,919 6.208,920 6.529,921 6.856,922 0.857,923 36,924 9.495,926 3.936,927 0.026,929 7.831,931 17.788,933 14.061,936 2.331,937 60.611,941 153.024,942 113.399,943 38.084,944 156.595,945 11.219,948 113.399,949 320.838,950 38.084,952 6.698,953 65.905,954 51.703,955 61.939,956 11.771,957 117.711,958 156.595,959 153.024,960 151.484,961 11.219,962 156.595,964 153.024,965 11.219,968 45.663,969 89.035,970 173.38,972 153.024,973 49.303,974 269.994,977 153.024,978 29.828,979 85.47,981 203.999,982 153.024,983 49.303,984 269.994,986 0.578,987 0.329,988 0.173,989 0.085,990 17,991 8,992 0.146,993 6,995 1,996 3.813,997 208.402,999 17,1000 120.211,1005 19.362,1006 8.997,1007 5.304,1009 47.404,1010 15.636,1011 4.036,1015 3.638,1016 1.863,1018 472.321,1019 37.5,1027 4.267,1028 0.634,1031 40.113,1032 43.387,1034 0.341,1035 0.67,1036 0.837,1037 0.942,1038 0.971,1039 0.981,1040 4.862,1041 1.309,1042 5.687,1043 3.825,1044 4.344,1045 4.938,1046 2.721,1047 6.444,1048 4.151,1049 6.072,1050 1.22,1051 7.216,1052 3.287,1053 3.892,1054 4.677,1056 7.235,1057 3.477,1058 7.369,1059 0.909,1060 8.842,1061 2.678,1062 5.889,1063 7.106,1064 4.384,1065 10.298,1066 5.561,1067 8.7,1068 0.618,1069 10.525,1070 2.103,1071 6.236,1072 7.64,1074 11.918,1075 5.728,1076 10.059,1077 0.255,1078 12.245,1079 1.372,1080 7.697,1081 9.518,1082 6.192,1083 14.491,1084 7.247,1085 11.438,1086 -0.059,1087 13.992,1088 0.588,1089 8.42,1090 10.435,1092 16.47,1093 7.831,1094 12.831,1095 -0.344,1096 15.758,1097 -0.143,1098 9.659,1099 12.066,1100 8.021,1101 18.867,1102 9.092,1103 3.025,1104 -0.514,1105 17.539,1106 -0.845,1107 10.566,1108 13.185,1110 21.011,1111 9.891,1112 2.852,1113 10.029,1114 19.332,1115 -1.242,1116 11.711,1117 14.693,1118 9.852,1119 23.34,1120 11.03,1121 2.555,1122 8.701,1123 21.135,1124 4.018,1125 12.707,1126 15.923,1128 25.562,1129 11.941,1130 2.264,1131 7.253,1132 22.947,1133 3.879,1134 13.814,1135 17.368,1136 11.684,1137 27.866,1138 13.022,1139 2.13,1140 6.28,1141 24.765,1142 3.495,1143 14.855,1144 18.659,1146 30.125,1147 13.993,1148 1.816,1149 5.822,1150 26.589,1151 3.068,1152 15.947,1153 20.071,1154 13.516,1155 32.421,1156 15.048,1157 1.524,1158 4.901,1159 28.418,1160 2.778,1161 17.011,1162 21.397,1164 34.698,1165 16.05,1166 7671,1167 15677,1168 18.493,1169 30.233,1170 41.583,1171 43.549,1172 41.928,1173 41.585,1174 40.952,1175 54.828,1176 7.362,1177 113.677,1178 36.474,1179 5.226,1180 6.024,1181 6.084,1182 5.034,1183 5.025,1184 7.018,1185 4.998,1186 16.807,1187 4.866,1188 13.228,1189 1.485,1190 1.555,1191 1.497,1192 1.485,1193 1.463,1194 1.958,1195 0.263,1196 4.06,1197 1.303,1198 3.996,1199 4.037,1200 4.117,1201 3.914,1202 5.079,1203 3.91,1204 3.908,1205 3.928,1206 4.079,1207 3.865,1208 5.005,1209 3.854,1210 3.85,1211 3.885,1212 3.853,1213 3.678,1214 4.947,1215 3.703,1216 3.403,1217 3.441,1218 3.609,1219 3.211,1220 4.821,1221 3.228,1222 3.158,1223 3.204,1224 3.592,1225 3.04,1226 4.628,1227 3.026,1228 2.88,1229 2.922,1230 3.379,1231 2.802,1232 4.611,1233 2.773,1234 2.879,1235 2.922,1236 3.17,1237 2.796,1238 4.145,1239 2.768,1240 2.769,1241 2.82,1242 2.952,1243 2.653,1244 4.045,1245 2.631,1246 0.157,1247 0.144,1248 0.231,1249 0.142,1250 0.108,1251 4.387,1252 0.144,1253 4.024,1254 0.089,1255 6.468,1256 0.358,1257 3.977,1258 0.102,1259 3.025,1260 4.018,1261 2.499,1262 10.029,1263 2.866,1264 1.911,1265 1.895,1266 1.969,1267 2,1268 1.142,1269 2,1270 1.886,1271 1.871,1272 1.947,1273 1.946,1274 1.125,1275 1.961,1276 1.584,1277 1.524,1278 1.731,1279 1.792,1280 0.902,1281 1.784,1282 1.308,1283 1.247,1284 1.484,1285 1.527,1286 0.588,1287 1.518,1288 1.205,1289 1.159,1290 1.411,1291 1.479,1292 0.459,1293 1.453,1294 1.051,1295 1.006,1296 1.216,1297 1.218,1298 0.248,1299 1.234,1300 0.868,1301 0.824,1302 1.099,1303 1.017,1304 0.169,1305 1.06,1306 0.868,1307 0.824,1308 1.097,1309 1.016,1310 0.168,1311 1.059,1312 4.043,1314 5.342,1315 2.398,1316 6.819,1317 4.443,1318 8.382,1319 6.26,1320 9.991,1323 24.367,1328 0.643,1330 5.526,1340 28.777,1341 70.211,1342 138.092,1343 172.621,1344 194.131,1345 200.131,1346 202.131,1347 44.52,1348 6.751,1349 39.41,1350 39.41,1351 17,1352 12.225,1353 4.248,1354 3.392,1355 44.143,1356 93,1357 104,1358 0.217,1359 192.616,1360 329.05,1361 461.744,1362 6682,1363 10.3,1364 18.518,1365 0.712,1366 0.631,1367 20.518,1368 16.396,1369 12.525,1370 0.447,1371 0.324,1372 7.596,1373 10.949,1374 7.296,1375 5.999,1376 13.68,1377 9.078,1378 11.292,1379 0.297,1380 0.187,1381 12.85,1382 7.094,1383 8.973,1384 0.191,1385 0.1,1386 10.183,1387 4.678,1388 7.369,1389 0.127,1390 0.056,1391 8.814,1392 3.239,1393 5.07,1394 0.079,1395 0.028,1396 5.817,1397 1.813,1398 0.34,1399 90.417,1400 0.233,1401 25.164,1402 0.6,1403 132,1404 443.484,1405 202.202,1406 549.244,1407 701.39,1408 508,1409 151,1410 417.585,1411 203.476,1412 461.744,1413 663.86,1414 431,1415 5.333}
{0 CHEMBL126354,1 1.458,2 13.879,3 5.376,4 28.902,5 131.093,6 7.155,7 0.5,8 4.202,9 4.323,10 3.739,11 3.771,12 5.287,13 3.732,14 4.751,15 4.924,16 4.06,17 4.172,18 5.851,19 4.103,20 5.067,21 5.294,22 4.121,23 4.332,24 6.01,25 4.226,26 5.177,27 5.429,28 4.056,29 4.308,30 6.154,31 4.186,32 5.129,33 5.384,34 4.032,35 4.298,36 6.065,37 4.18,38 5.083,39 5.317,40 4.053,41 4.358,42 5.991,43 4.226,44 5.157,45 5.397,46 4.05,47 4.372,48 6.212,49 4.223,50 5.11,51 5.372,52 3.911,53 4.276,54 5.963,55 4.117,56 0.12,57 0.871,58 13.001,59 5.851,60 10.06,61 7.879,62 0.276,63 1.443,64 24.207,65 9.707,66 45.05,67 13.428,68 0.203,69 1.866,70 35.105,71 13.511,72 38.867,73 19.103,74 0.396,75 1.952,76 41.35,77 14.697,78 76.444,79 20.666,80 0.438,81 1.86,82 39.582,83 14.187,84 75.002,85 19.867,86 0.341,87 1.844,88 36.042,89 14.714,90 46.774,91 20.434,92 0.56,93 1.912,94 39.624,95 15.939,96 114.847,97 22.321,98 0.318,99 1.838,100 38.216,101 14.777,102 55.193,103 21.104,104 11,105 48,106 0.233,107 0.49,108 0.635,109 0.757,110 0.811,111 0.816,112 3.531,113 0.956,114 -6.08,115 -5.92,116 -5.51,121 43.5,123 3,124 1,127 4,144 14,145 2,146 2,160 1,168 2,176 17,179 2,180 10,187 17,192 16,200 7,206 18,214 7,219 6,227 18,231 3,232 3,239 29,243 4,251 23,255 1,256 7,264 11,269 15,277 1,281 2275,282 22.551,283 22.551,284 22.551,285 22.551,286 22.551,287 19.979,288 24.897,289 13.618,290 22.799,291 17.772,292 17.772,293 17.772,294 17.772,295 17.772,296 14.055,297 30.838,298 6.49,299 18.149,300 4.496,301 2.883,302 1.977,303 1.21,304 0.871,305 0.839,306 4.229,312 1,313 986,314 3.873,318 520.114,325 2.011,326 30.534,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 70.5,338 458,339 4.362,340 3.782,341 6.611,342 4.051,343 3.08,344 3.993,345 2.612,346 10.447,347 2.994,348 4.188,349 3.723,350 5.937,351 3.721,352 2.752,353 3.686,354 1.2,355 8.252,356 2.664,357 3.941,358 3.018,359 5.696,360 3.682,361 2.719,362 3.457,363 0.916,364 7.789,365 2.624,366 3.851,367 2.76,368 5.615,369 3.467,370 2.469,371 3.372,372 0.293,373 7.509,374 2.463,375 3.603,376 2.554,377 5.329,378 3.408,379 2.417,380 2.649,381 0.172,382 6.942,383 2.388,384 3.301,385 2.275,386 4.955,387 3.037,388 2.083,389 2.55,391 5.869,392 1.978,393 3.163,394 2.232,395 4.652,396 2.803,397 1.823,398 2.239,400 4.732,401 1.783,402 2.959,403 1.808,404 3.896,405 2.419,406 1.423,407 2.102,409 3.151,410 1.416,411 2.823,412 1.681,413 3.602,414 2.381,415 1.376,416 1.923,418 3.042,419 1.379,420 2.647,421 1.517,422 3.59,423 2.138,424 1.152,425 1.641,427 2.716,428 1.135,429 2.5,430 1.221,431 3.458,432 2,433 1,434 1.5,436 2.275,437 1,438 2.5,439 1.077,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.5,448 1,449 3.414,450 2,451 1,452 1.5,454 2.138,455 1,456 2.206,457 1,458 3.247,459 1.984,460 1,461 1.079,463 2.136,464 0.983,465 2,466 1,467 3.247,468 1.892,469 0.876,470 1,472 2.136,473 0.884,474 15.7,475 0.476,476 0.661,477 0.02,478 43.5,479 1.318,480 23,481 0.697,482 20.5,483 0.621,484 28.038,485 0.85,486 35.3,487 0.569,488 33.67,489 1.02,490 8.486,491 0.257,492 7.612,493 0.231,494 0.064,496 0.268,501 0.417,502 1.233,503 0.793,504 1.061,505 0.46,506 0.994,507 0.612,508 1.167,509 0.966,510 1.079,511 0.399,512 1.061,513 0.706,514 1.164,515 0.967,516 1.12,517 0.493,518 1.077,519 1.073,520 1.026,521 1.007,522 1.001,523 0.971,524 0.993,525 1.087,526 0.831,527 0.957,528 0.833,529 1.034,530 0.867,531 0.6,532 0.914,533 0.983,534 1.049,535 0.63,536 1.067,537 0.5,538 1.029,539 0.968,540 1.098,541 0.615,542 1.107,543 0.612,544 1.055,545 0.966,546 1.079,547 0.633,548 1.075,549 5.5,550 0.231,551 3.333,552 1.75,553 1.427,554 0.896,555 0.647,556 0.418,557 0.311,558 0.241,559 16712,560 43158,561 2.097,562 46.8,563 1,564 22,569 6,572 1.753,573 2,574 3.709,575 -0.811,582 90.387,583 1.458,584 3.072,585 3.977,586 4.744,587 5.083,588 5.115,589 3.219,590 4.499,591 5.011,592 3.92,593 2069.94,594 8.782,595 32158,600 369.16,601 1.241,602 4.992,603 0.153,604 0.008,605 0.069,606 0.036,607 0.032,608 0.02,609 0.014,610 0.01,611 0.008,612 0.007,613 0.357,614 0.17,615 0.88,616 0.62,617 177.525,618 0.208,619 -0.06,620 0.066,621 -0.001,622 0.031,623 0.001,624 0.123,625 -0.044,626 -0.058,627 -0.067,628 0.172,629 -0.082,630 -0.003,631 -0.131,632 -0.025,633 -0.127,634 0.081,635 -0.083,636 -0.071,637 -0.057,638 -0.007,639 -0.034,640 0.007,641 -0.014,642 -0.105,643 0.136,644 0.041,645 0.14,646 -0.067,647 0.118,648 0.059,649 0.076,650 -0.045,651 -0.033,652 -0.009,653 -0.051,654 0.243,655 -0.087,656 -0.013,657 -0.079,658 0.177,659 -0.085,660 0.052,661 -0.106,662 -0.006,663 -0.081,664 -0.012,665 -0.058,666 2.451,667 6.302,668 0.727,669 40.354,670 0.996,671 1.121,672 4.847,673 23.489,674 0.666,675 3.611,676 3.892,677 4.127,678 4.317,679 4.533,680 4.533,681 4.654,682 4.71,683 4.796,684 4.844,685 8.058,686 0.63,687 443.59,688 3.611,689 5.13,690 5.958,691 6.806,692 7.648,693 8.5,694 9.349,695 10.204,696 11.055,697 11.912,698 4.8,701 1,705 1,709 1,715 14,720 4,722 18,730 1,735 1,741 62,743 21,744 3,745 36,747 65,748 27,749 18,750 4,751 14,752 1,756 4,757 4,767 2,768 1,770 3,772 19,773 8,774 1,777 3,779 1,782 3,786 1,793 29,794 5,796 6,802 3,808 1,809 3,829 4,855 1,859 4,868 33,876 7,880 1,881 2,893 4.8,896 1,899 2,901 16.5,902 10.85,903 7.361,904 3.874,907 2.185,908 1.291,909 0.973,910 7.746,911 9.694,912 3.892,913 4.413,914 4.888,915 5.343,916 5.812,917 5.853,918 6.179,919 6.168,920 6.429,921 6.655,922 1,923 49,924 12.255,926 5.197,927 0.026,929 7.778,931 23.609,933 19.515,936 2.278,937 75.167,941 341.362,942 165.283,943 11.919,945 75.892,948 165.283,949 417.254,950 11.919,951 5.67,952 19.151,953 132.667,954 29.85,955 15.009,957 341.362,958 50.747,959 341.362,960 177.202,961 75.892,964 270.735,965 95.772,966 50.747,968 22.275,969 149.257,970 5.67,972 341.362,973 87.811,974 165.283,977 341.362,978 32.616,979 144.586,981 75.892,982 341.362,983 87.811,984 165.283,986 0.572,987 0.329,988 0.17,989 0.093,990 21,991 9,992 0.123,993 8,995 1,996 4.512,997 292.167,999 24,1000 148.465,1005 23.005,1006 11.111,1007 6.206,1009 82.14,1010 26.075,1015 2.643,1018 594.456,1019 48,1021 -0.451,1024 35.197,1028 -0.127,1031 61.774,1032 69.521,1034 0.245,1035 0.516,1036 0.668,1037 0.797,1038 0.854,1039 0.859,1040 5.103,1041 1.423,1042 5.911,1043 4.732,1044 4.575,1045 5.1,1046 2.808,1047 6.658,1048 4.533,1049 6.267,1050 1.376,1051 7.431,1052 3.151,1053 4.007,1054 4.691,1055 2.431,1056 7.445,1057 3.921,1058 7.537,1059 1.152,1060 9.052,1061 3.042,1062 6.107,1063 7.165,1064 4.223,1065 10.514,1066 6.012,1067 8.84,1068 1,1069 10.734,1070 2.716,1071 6.382,1072 7.582,1073 4.522,1074 12.156,1075 6.239,1076 10.174,1077 1,1078 12.458,1079 2.275,1080 7.91,1081 9.514,1082 5.962,1083 14.727,1084 7.758,1085 11.531,1086 1,1087 14.209,1088 2.275,1089 8.582,1090 10.327,1091 6.559,1092 16.733,1093 8.384,1094 12.905,1095 1,1096 15.981,1097 2.138,1098 9.861,1099 12.008,1100 7.797,1101 19.142,1102 9.65,1103 3.08,1104 0.876,1105 17.769,1106 2.136,1107 10.736,1108 13.035,1109 8.549,1110 21.319,1111 10.481,1112 2.752,1113 10.447,1114 19.57,1115 2.136,1116 11.903,1117 14.582,1118 9.67,1119 23.675,1120 11.63,1121 2.719,1122 8.252,1123 21.381,1124 3.993,1125 12.883,1126 15.736,1127 10.509,1128 25.935,1129 12.571,1130 2.469,1131 7.789,1132 23.201,1133 3.686,1134 14.003,1135 17.205,1136 11.563,1137 28.277,1138 13.667,1139 2.417,1140 7.509,1141 25.028,1142 3.457,1143 15.039,1144 18.437,1145 12.452,1146 30.579,1147 14.667,1148 2.083,1149 6.942,1150 26.863,1151 3.372,1152 16.141,1153 19.862,1154 13.468,1155 32.918,1156 15.744,1157 1.823,1158 5.869,1159 28.703,1160 2.649,1161 17.207,1162 21.144,1163 14.386,1164 35.241,1165 16.777,1166 15849,1167 25752,1168 24.444,1169 41.279,1170 53.375,1171 55.125,1172 54.099,1173 52.977,1174 52.911,1175 69.036,1176 10.388,1177 144.251,1178 51.948,1179 5.362,1180 5.782,1181 6.413,1182 5.087,1183 5.08,1184 6.993,1185 4.612,1186 17.584,1187 4.994,1188 13.564,1189 1.483,1190 1.531,1191 1.503,1192 1.472,1193 1.47,1194 1.918,1195 0.289,1196 4.007,1197 1.443,1198 4.034,1199 4.068,1200 3.986,1201 3.922,1202 7.815,1203 3.927,1204 3.947,1205 3.986,1206 3.869,1207 3.856,1208 7.428,1209 3.853,1210 3.891,1211 3.925,1212 3.828,1213 3.805,1214 6.999,1215 3.804,1216 3.812,1217 3.86,1218 3.697,1219 3.712,1220 4.774,1221 3.701,1222 3.576,1223 3.608,1224 3.543,1225 3.317,1226 4.744,1227 3.343,1228 3.43,1229 3.486,1230 3.311,1231 3.143,1232 4.652,1233 3.189,1234 3.204,1235 3.266,1236 3.099,1237 2.982,1238 4.322,1239 2.998,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 4.001,1245 2.91,1246 0.121,1247 0.105,1248 0.184,1249 0.113,1250 0.086,1251 4.362,1252 0.111,1253 3.782,1254 0.073,1255 6.611,1256 0.29,1257 4.051,1258 0.083,1259 3.08,1260 3.993,1261 2.612,1262 10.447,1263 2.994,1264 1.953,1265 1.924,1266 2.104,1267 2.1,1268 1.483,1269 2.092,1270 1.928,1271 1.894,1272 2.041,1273 2.064,1274 1.178,1275 2.055,1276 1.876,1277 1.846,1278 2.005,1279 1.994,1280 1.122,1281 1.994,1282 1.826,1283 1.777,1284 1.985,1285 1.938,1286 1.062,1287 1.96,1288 1.469,1289 1.405,1290 1.711,1291 1.73,1292 0.964,1293 1.704,1294 1.274,1295 1.24,1296 1.513,1297 1.621,1298 0.825,1299 1.563,1300 1.153,1301 1.082,1302 1.456,1303 1.396,1304 0.682,1305 1.429,1306 1.144,1307 1.064,1308 1.312,1309 1.376,1310 0.433,1311 1.406,1312 4.29,1314 5.58,1316 7.066,1318 8.631,1320 10.234,1328 6.947,1332 0.577,1333 4.306,1340 39.057,1341 90.387,1342 190.441,1343 246.573,1344 294.141,1345 315.16,1346 317.16,1347 67.398,1348 7.509,1349 69.37,1350 69.37,1351 24,1352 12.466,1353 4.459,1354 3.7,1355 54.373,1356 153,1357 175,1358 0.163,1359 240.36,1360 423.85,1361 578.239,1362 18971,1364 23.045,1365 0.698,1366 0.566,1367 23.045,1368 18.676,1369 16.097,1370 0.447,1371 0.319,1372 11.361,1373 15.587,1374 11.134,1375 9.234,1376 16.097,1377 11.476,1378 14.044,1379 0.293,1380 0.179,1381 14.044,1382 8.59,1383 11.7,1384 0.192,1385 0.104,1386 11.7,1387 6.355,1388 9.255,1389 0.125,1390 0.06,1391 9.255,1392 4.424,1393 7.409,1394 0.081,1395 0.035,1396 7.409,1397 3.248,1398 0.261,1399 100.21,1400 0.202,1401 31.177,1402 0.432,1403 168,1404 472.142,1405 181.22,1406 459.467,1407 615.96,1408 426,1409 193,1410 448.635,1411 206.973,1412 451.75,1413 650.11,1414 424,1415 8.268}
{0 CHEMBL126939,1 1.342,2 11.667,3 4.655,4 21.669,5 99.102,6 6.923,7 0.593,8 3.917,9 4.034,10 3.447,11 3.515,12 4.924,13 3.468,14 4.462,15 4.636,16 3.759,17 3.914,18 5.365,19 3.84,20 4.745,21 4.977,22 3.727,23 4.029,24 5.547,25 3.899,26 4.794,27 5.07,28 3.537,29 3.936,30 5.523,31 3.77,32 4.625,33 4.904,34 3.417,35 3.806,36 5.327,37 3.647,38 4.534,39 4.78,40 3.427,41 3.79,42 5.292,43 3.644,44 4.558,45 4.813,46 3.334,47 3.744,48 5.306,49 3.582,50 4.419,51 4.685,52 3.14,53 3.578,54 5.15,55 3.4,56 0.091,57 0.627,58 10.121,59 4.463,60 9.524,61 6.073,62 0.114,63 1.071,64 18.392,65 7.41,66 13.952,67 10.296,68 0.163,69 1.347,70 25.567,71 10.258,72 22.172,73 14.476,74 0.221,75 1.372,76 27.973,77 10.632,78 26.013,79 15.221,80 0.183,81 1.163,82 23.522,83 9.063,84 20.358,85 13.033,86 0.147,87 1.079,88 20.904,89 8.304,90 17.069,91 11.772,92 0.208,93 1.071,94 21.864,95 8.586,96 20.934,97 11.962,98 0.2,99 0.913,100 19.141,101 7.612,102 18.52,103 10.714,105 36,106 0.229,107 0.54,108 0.705,109 0.796,110 0.832,111 0.832,112 3.227,113 0.964,114 -4.84,115 -4.75,116 -4.46,121 45.7,123 2,124 1,127 3,137 2,144 9,145 2,148 1,154 1,168 1,176 14,180 7,187 15,192 9,200 9,206 8,214 6,219 5,227 11,232 2,239 12,243 1,244 1,251 12,255 1,256 1,264 7,269 3,277 4,281 806,282 16.861,283 16.861,284 16.861,285 16.861,286 16.861,287 14.823,288 13.865,289 10.268,290 17.003,291 13.381,292 13.381,293 13.381,294 13.381,295 13.381,296 10.403,297 18.534,298 4.933,299 13.606,300 4.181,301 2.362,302 1.394,303 0.861,304 0.652,305 0.652,306 3.935,311 1,312 1,313 626,314 2.449,317 55.262,318 229.149,321 103.405,325 1.972,326 9.7,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 50,338 280,339 4.532,340 3.073,341 6.526,342 4.054,343 3.063,344 4.485,345 0.916,346 10.265,347 3.034,348 3.942,349 3.024,350 5.617,351 3.688,352 2.724,353 3.457,354 0.172,355 7.789,356 2.632,357 3.69,358 2.679,359 5.344,360 3.471,361 2.472,362 2.934,364 6.973,365 2.468,366 3.443,367 2.34,368 5.116,369 3.082,370 2.118,371 2.626,373 6.035,374 2.038,375 3.185,376 1.987,377 4.944,378 2.928,379 1.953,380 2.319,382 5.771,383 1.895,384 3.046,385 1.546,386 4.185,387 2.544,388 1.546,389 2.289,391 3.763,392 1.543,393 2.842,394 1.523,395 3.602,396 2.417,397 1.422,398 1.958,400 3.044,401 1.414,402 2.673,403 1.208,404 3.586,405 2.197,406 1.204,407 1.733,409 2.814,410 1.195,411 2.5,412 1.077,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.355,421 1,422 3.286,423 1.984,424 1,425 1.188,427 2.136,428 0.983,429 2,430 0.86,431 3.247,432 1.807,433 0.819,434 1,436 1.896,437 0.808,438 1.952,439 0.548,440 3.018,441 1.455,442 0.462,443 0.643,445 1.09,446 0.458,447 1.256,448 0.241,449 2.77,450 1.032,451 0.057,452 0.068,454 0.143,455 0.056,456 0.779,457 -0.268,458 2.243,459 0.528,460 -0.464,461 -0.537,463 -1.099,464 -0.46,465 0.669,466 -0.709,467 2,468 0.222,469 -0.774,470 -0.993,472 -1.812,473 -0.77,474 11.633,475 0.485,476 0.376,477 0.016,478 30.5,479 1.271,480 15.5,481 0.646,482 15,483 0.625,484 18.329,485 0.764,486 24.967,487 0.543,488 18.809,489 0.784,490 6.001,491 0.25,492 5.881,493 0.245,496 0.249,501 0.639,502 1.143,503 0.828,504 1.025,505 0.643,506 0.958,507 1.042,508 1.15,509 1.016,510 1.068,511 0.806,512 1.035,513 0.905,514 1.121,515 1.034,516 1.1,517 0.75,518 1.079,519 1.038,520 1.001,521 1.004,522 0.978,523 0.929,524 0.986,525 0.89,526 0.874,527 0.925,528 0.87,529 0.963,530 0.892,531 0.928,532 1.024,533 1.065,534 1.057,535 1.162,536 1.066,537 1.222,538 0.943,539 1.113,540 1.035,541 1.316,542 1.066,543 0.99,544 0.999,545 1.04,546 1.026,547 1.069,548 1.048,549 3.5,550 0.062,551 2,552 0.979,553 0.716,554 0.306,555 0.331,556 0.205,557 0.083,558 0.093,559 7924,560 17004,561 2.213,562 47.8,563 1,564 17,569 4,572 1.66,573 2.182,574 3.5,575 -0.864,582 61.738,583 1.342,584 3.162,585 4.129,586 4.662,587 4.871,588 4.871,589 2.924,590 4.168,591 4.558,592 3.673,593 1013.63,594 7.817,595 12529.9,597 1,600 254.084,601 0.811,602 4.56,603 0.13,604 0.005,605 0.056,606 0.03,607 0.028,608 0.013,609 0.014,610 0.01,611 0.005,612 0.007,613 0.295,614 0.5,615 1,617 117.023,618 0.268,619 -0.043,620 0.086,621 -0.005,622 0.231,623 0.017,624 -0.064,625 -0.065,626 -0.07,627 -0.087,628 0.03,629 -0.077,630 -0.025,631 -0.125,632 -0.07,633 -0.12,634 0.106,635 -0.102,636 -0.047,637 -0.042,638 -0.01,639 -0.016,640 0.031,641 -0.011,642 -0.04,643 0.089,644 0.061,645 0.099,646 -0.069,647 0.092,648 -0.068,649 -0.037,650 -0.098,651 -0.08,652 -0.22,653 -0.087,654 -0.066,655 0.01,656 -0.12,657 -0.061,658 -0.219,659 -0.092,660 0.069,661 -0.079,662 -0.049,663 -0.043,664 -0.083,665 -0.06,666 0.81,667 1.863,668 0.875,669 22.75,670 0.986,671 1.116,672 3.61,673 13.029,674 0.676,675 3.332,676 3.611,677 3.871,678 4.111,679 4.29,680 4.234,681 4.344,682 4.466,683 4.443,684 4.533,685 6.862,686 0.631,687 318.45,688 3.332,689 4.844,690 5.68,691 6.532,692 7.381,693 8.238,694 9.091,695 9.951,696 10.807,697 11.668,698 4.3,701 1,708 1,714 2,715 9,716 1,718 1,720 2,722 16,741 46,743 17,744 2,745 27,747 49,748 21,749 13,750 3,751 9,752 2,756 4,757 5,767 2,768 1,770 2,772 15,773 6,774 1,777 1,784 2,790 1,793 22,794 3,796 3,801 1,802 2,808 0.75,809 1,828 1,829 3,832 1,849 2,855 1,859 3,868 24,876 5,880 1,881 1,893 2.2,898 1,901 11,902 8.067,903 5.306,904 2.925,907 3.522,908 1.482,909 1.007,910 4.546,911 10.83,912 3.611,913 4.171,914 4.761,915 5.337,916 5.799,917 5.973,918 6.33,919 6.685,920 6.611,921 6.897,922 0.875,923 33,924 8.868,926 3.725,927 0.026,929 7.417,931 17.644,933 14.833,936 1.917,937 46,938 0.001,940 1,941 258.964,942 128.976,943 22.721,945 9.734,948 128.976,949 268.698,950 22.721,952 11.386,953 104.239,954 19.597,955 21.374,956 4.836,957 258.964,959 258.964,960 151.697,961 9.734,964 211.88,965 56.819,968 17.267,969 95.881,970 38.549,972 258.964,973 32.455,974 128.976,977 258.964,978 24.738,979 107.363,981 29.331,982 258.964,983 32.455,984 128.976,986 0.568,987 0.328,988 0.18,989 0.096,990 18,991 6,992 0.082,993 4,994 1,995 1.095,996 3.909,997 188.507,998 0.095,999 21,1000 102.039,1005 15.315,1006 7.124,1007 3.664,1008 1.949,1009 32.455,1010 18.76,1011 4.178,1013 5.363,1015 2.345,1018 420.396,1019 36,1026 4.438,1031 45.367,1032 51.358,1034 0.243,1035 0.572,1036 0.748,1037 0.844,1038 0.882,1039 0.882,1040 4.812,1041 1.204,1042 5.617,1043 3.044,1044 4.29,1045 4.856,1046 0.918,1047 6.358,1048 4.258,1049 5.976,1050 1,1051 7.12,1052 2.814,1053 3.611,1054 4.388,1055 0.325,1056 7.096,1057 3.549,1058 7.245,1059 1,1060 8.724,1061 2.275,1062 5.808,1063 7.018,1064 0.671,1065 10.187,1066 5.742,1067 8.552,1068 0.819,1069 10.39,1070 2.136,1071 6.019,1072 7.538,1073 0.393,1074 11.84,1075 5.929,1076 9.898,1077 0.462,1078 12.099,1079 1.896,1080 7.603,1081 9.536,1082 0.533,1083 14.406,1084 7.508,1085 11.272,1086 0.057,1087 13.84,1088 1.09,1089 8.252,1090 10.561,1091 0.384,1092 16.446,1093 8.14,1094 12.671,1095 -0.464,1096 15.604,1097 0.143,1098 9.563,1099 12.277,1100 0.438,1101 18.843,1102 9.443,1103 3.063,1104 -0.774,1105 17.386,1106 -1.099,1107 10.437,1108 13.555,1109 0.351,1110 21.049,1111 10.305,1112 2.724,1113 10.265,1114 19.183,1115 -1.812,1116 11.624,1117 15.146,1118 0.366,1119 23.394,1120 11.483,1121 2.472,1122 7.789,1123 20.993,1124 4.485,1125 12.613,1126 16.544,1127 0.312,1128 25.67,1129 12.462,1130 2.118,1131 6.973,1132 22.812,1133 3.457,1134 13.746,1135 18.08,1136 0.309,1137 28,1138 13.587,1139 1.953,1140 6.035,1141 24.641,1142 2.934,1143 14.793,1144 19.534,1145 0.273,1146 30.305,1147 14.625,1148 1.546,1149 5.771,1150 26.476,1151 2.626,1152 15.905,1153 21.048,1154 0.262,1155 32.632,1156 15.73,1157 1.422,1158 3.763,1159 28.318,1160 2.319,1161 16.981,1162 22.527,1163 0.236,1164 34.949,1165 16.798,1166 7277,1167 10792,1168 19.068,1169 31.08,1170 40.319,1171 39.745,1172 39.975,1173 39.702,1174 39.682,1175 52.401,1176 2.178,1177 107.99,1178 39.049,1179 5.532,1180 5.073,1181 6.328,1182 5.089,1183 5.063,1184 7.485,1185 1.605,1186 16.922,1187 5.034,1189 1.493,1190 1.472,1191 1.481,1192 1.47,1193 1.47,1194 1.941,1195 0.081,1196 4,1197 1.446,1198 4.092,1199 4.109,1200 4.059,1201 3.987,1202 5.27,1203 3.999,1204 3.945,1205 3.988,1206 3.862,1207 3.863,1208 4.756,1209 3.858,1210 3.811,1211 3.857,1212 3.702,1213 3.713,1214 4.472,1215 3.703,1216 3.457,1217 3.511,1218 3.358,1219 3.329,1220 4.4,1221 3.329,1222 3.247,1223 3.303,1224 3.141,1225 3.068,1226 4.128,1227 3.072,1228 3.111,1229 3.206,1230 2.911,1231 2.941,1232 3.765,1233 2.91,1234 3.046,1235 3.098,1236 2.866,1237 2.872,1238 3.674,1239 2.876,1240 2.876,1241 2.936,1242 2.737,1243 2.758,1244 3.638,1245 2.746,1246 0.168,1247 0.114,1248 0.242,1249 0.15,1250 0.113,1251 4.532,1252 0.166,1253 3.073,1254 0.034,1255 6.526,1256 0.38,1257 4.054,1258 0.112,1259 3.063,1260 4.485,1261 0.916,1262 10.265,1263 3.034,1264 1.947,1265 1.92,1266 2.094,1267 2.065,1268 1.435,1269 2.078,1270 1.918,1271 1.89,1272 2.026,1273 1.998,1274 1.151,1275 2.006,1276 1.822,1277 1.778,1278 1.988,1279 1.939,1280 1.122,1281 1.958,1282 1.472,1283 1.424,1284 1.649,1285 1.667,1286 0.825,1287 1.655,1288 1.196,1289 1.135,1290 1.513,1291 1.428,1292 0.797,1293 1.429,1294 1.153,1295 1.064,1296 1.439,1297 1.376,1298 0.603,1299 1.422,1300 0.982,1301 0.943,1302 1.213,1303 1.243,1304 0.382,1305 1.23,1306 0.896,1307 0.854,1308 1.181,1309 1.064,1310 0.218,1311 1.107,1312 4.007,1314 5.293,1315 2.398,1316 6.777,1317 4.727,1318 8.343,1319 6.823,1320 9.949,1328 5.788,1332 0.632,1333 2.547,1340 29.026,1341 61.738,1342 145.447,1343 189.945,1344 214.474,1345 224.084,1346 224.084,1347 27.443,1348 7.308,1349 29.27,1350 29.27,1351 23,1352 12.219,1353 4.17,1354 3.322,1355 34.226,1356 100,1357 88,1358 0.165,1359 176.802,1360 299.39,1361 423.156,1362 16163,1364 16.192,1365 0.675,1366 0.574,1367 16.192,1368 13.766,1369 11.882,1370 0.44,1371 0.321,1372 8.601,1373 11.59,1374 8.42,1375 6.98,1376 11.882,1377 8.672,1378 10.25,1379 0.285,1380 0.181,1381 10.25,1382 6.522,1383 8.785,1384 0.187,1385 0.102,1386 8.785,1387 4.813,1388 7.316,1389 0.122,1390 0.057,1391 7.316,1392 3.398,1393 5.915,1394 0.082,1395 0.034,1396 5.915,1397 2.457,1398 0.268,1399 73.268,1400 0.229,1401 24.101,1402 0.427,1403 126,1404 297.026,1405 133.345,1406 293.753,1407 414.54,1408 278,1409 146,1410 319.136,1411 154.815,1412 323.109,1413 467.16,1414 305,1415 6.678}
{0 CHEMBL127465,1 1.442,2 23.826,3 6.79,4 46.101,5 180.489,6 6.773,7 0.36,8 4.605,9 4.723,10 4.088,11 4.099,12 5.6,13 4.07,14 5.191,15 5.377,16 4.399,17 4.482,18 6.164,19 4.423,20 5.465,21 5.694,22 4.442,23 4.63,24 6.35,25 4.532,26 5.513,27 5.767,28 4.377,29 4.605,30 6.426,31 4.482,32 5.458,33 5.713,34 4.268,35 4.553,36 6.331,37 4.422,38 5.421,39 5.681,40 4.204,41 4.498,42 6.265,43 4.36,44 5.36,45 5.615,46 4.132,47 4.437,48 6.191,49 4.301,50 5.311,51 5.562,52 4.106,53 4.398,54 6.15,55 4.265,56 0.032,57 1.276,58 21.452,59 9.16,60 9.844,61 12.282,62 0.548,63 2.065,64 41.195,65 14.673,66 48.69,67 20.464,68 0.593,69 2.502,70 55.205,71 19.498,72 59.137,73 27.369,74 0.834,75 2.528,76 58.715,77 20.284,78 89.11,79 29.012,80 0.655,81 2.399,82 55.431,83 19.261,84 77.671,85 27.474,86 0.667,87 2.297,88 53.51,89 18.492,90 75.29,91 26.567,92 0.665,93 2.172,94 50.459,95 17.151,96 66.758,97 24.509,98 0.585,99 2.07,100 47.896,101 16.455,102 60.087,103 23.482,104 10,105 65,106 0.213,107 0.478,108 0.684,109 0.824,110 0.875,111 0.884,112 3.852,113 1,114 -3.94,115 -3.89,116 -3.69,121 39.8,123 7,126 1,127 9,144 11,145 3,146 4,159 1,161 1,176 15,179 1,180 14,183 2,185 1,187 16,191 1,192 11,197 1,200 10,205 3,206 14,211 3,214 11,218 1,219 8,224 3,227 10,231 1,232 11,237 2,239 8,243 1,244 10,247 1,249 1,251 6,255 1,256 7,264 9,268 1,269 6,272 1,274 1,277 12,281 6224,282 31.672,283 31.672,284 31.672,285 31.672,286 31.672,287 29.29,288 39.005,289 19.679,290 32.452,291 24.798,292 24.798,293 24.798,294 24.798,295 24.798,296 21.077,297 50.576,298 9.524,299 26.001,300 5.098,301 3.308,302 1.918,303 0.971,304 0.632,305 0.567,306 4.56,312 1,313 2384,314 5.05,318 807.259,322 467.922,325 4.233,326 42.145,329 0.75,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.71,337 99.5,338 1096,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 2.186,346 11.061,347 3.18,348 4.105,349 3.665,350 6.011,351 3.724,352 2.762,353 3.688,354 0.916,355 8.529,356 2.661,357 4.048,358 3,359 5.683,360 3.613,361 2.643,362 3.676,363 0.86,364 8.002,365 2.563,366 3.684,367 2.98,368 5.408,369 3.439,370 2.522,371 2.964,372 0.86,373 6.965,374 2.31,375 3.617,376 2.885,377 5.34,378 3.393,379 2.462,380 2.895,381 0.86,382 6.915,383 2.276,384 3.522,385 2.82,386 5.298,387 3.233,388 2.272,389 2.527,390 0.8,391 6.849,392 2.172,393 3.387,394 2.634,395 5.125,396 3.139,397 2.186,398 2.522,399 0.366,400 6.041,401 2.067,402 3.307,403 2.491,404 4.886,405 2.947,406 2.009,407 2.503,408 0.172,409 5.694,410 1.871,411 3.086,412 2.176,413 4.611,414 2.877,415 1.892,416 2.171,418 4.93,419 1.854,420 2.904,421 2.167,422 4.125,423 2.773,424 1.8,425 2.08,427 3.767,428 1.74,429 2.88,430 1.912,431 3.894,432 2.552,433 1.596,434 1.88,436 3.384,437 1.529,438 2.715,439 1.708,440 3.719,441 2.437,442 1.453,443 1.811,445 3.287,446 1.426,447 2.666,448 1.651,449 3.686,450 2.328,451 1.404,452 1.735,454 3.094,455 1.298,456 2.616,457 1.571,458 3.581,459 2.304,460 1.358,461 1.613,463 2.942,464 1.259,465 2.478,466 1.37,467 3.511,468 2.242,469 1.255,470 1.451,472 2.9,473 1.235,474 21.7,475 0.472,476 0.797,477 0.017,478 52,479 1.13,480 22.5,481 0.489,482 29.5,483 0.641,484 47.799,485 1.039,486 52.1,487 0.56,488 42.747,489 0.929,490 10.051,491 0.218,492 12.496,493 0.272,494 0.054,496 0.244,501 0.799,502 1.439,503 0.866,504 1.267,505 0.583,506 1.102,507 1.032,508 1.082,509 1.02,510 1.048,511 0.598,512 1.021,513 1.087,514 1.021,515 0.989,516 1.014,517 0.795,518 0.987,519 0.909,520 0.961,521 0.919,522 0.96,523 0.941,524 0.943,525 1.031,526 0.971,527 0.99,528 0.97,529 1.206,530 0.974,531 0.961,532 0.993,533 0.97,534 0.979,535 0.877,536 0.977,537 1.094,538 0.961,539 1.06,540 0.984,541 1.008,542 1.011,543 1.084,544 1.022,545 1.045,546 1.014,547 1.02,548 1.023,549 7,550 0.206,551 3.111,552 2.563,553 2.004,554 0.903,555 0.705,556 0.389,557 0.332,558 0.209,559 55218,560 126373,561 2.106,562 50.5,563 8,564 32,567 1,569 4,570 2,572 1.823,573 2.029,574 4.469,575 -0.436,582 134.062,583 1.442,584 3.231,585 4.621,586 5.569,587 5.907,588 5.972,589 3.939,590 5.35,591 5.491,592 4.726,593 4891.65,594 9.683,595 114315,600 608.142,601 1.115,602 5.481,603 0.14,604 0.005,605 0.048,606 0.039,607 0.033,608 0.017,609 0.014,610 0.008,611 0.007,612 0.005,613 0.316,614 0.33,615 0.63,616 0.377,617 286.064,618 -0.002,619 -0.191,620 0.069,621 -0.099,622 0.009,623 -0.018,624 0.022,625 0.06,626 -0.028,627 -0.012,628 0.106,629 -0.021,630 -0.058,632 0.003,633 -0.009,634 0.024,635 0.006,636 0.078,637 0.01,638 0.072,639 0.02,640 0.115,641 0.043,642 -0.055,643 0.001,644 -0.001,645 0.011,646 -0.059,647 0.013,648 -0.008,649 -0.032,650 0.016,651 -0.002,652 0.008,653 0.009,654 -0.072,655 0.018,656 -0.063,657 -0.015,658 -0.077,659 -0.035,660 -0.07,661 -0.046,662 -0.051,663 -0.035,664 -0.068,665 -0.041,666 2.075,667 5.753,668 0.565,669 93.996,670 0.997,671 1.128,672 2.706,673 7.322,674 0.64,675 3.932,676 4.19,677 4.407,678 4.644,679 4.852,680 4.89,681 4.984,682 5.094,683 5.142,684 5.1,685 13.7,686 0.602,687 629.87,688 3.932,689 5.442,690 6.26,691 7.104,692 7.938,693 8.794,694 9.64,695 10.504,696 11.358,697 12.229,698 3.2,701 2,705 1,715 11,720 7,722 18,727 1,737 1,739 2,741 93,743 20,744 3,745 50,747 97,748 37,749 18,750 7,751 11,752 1,756 5,757 8,770 7,772 20,773 17,777 2,782 2,786 2,793 47,794 9,795 1,796 9,802 3,808 0.6,809 6,829 5,833 2,855 2,858 1,859 3,864 1,868 46,876 16,877 1,878 4,881 2,893 6.5,896 2,897 1,898 3,901 22.667,902 16.567,903 10.361,904 6.054,907 3.596,908 1.407,909 0.958,910 13.467,911 12.43,912 4.127,913 4.6,914 5.077,915 5.596,916 6.095,917 6.294,918 6.617,919 6.967,920 7.235,921 7.413,922 0.938,923 66,924 17.135,926 7.127,927 0.026,929 7.62,931 33.461,933 27.201,936 2.12,937 97.5,941 541.471,942 199.215,943 24.259,945 94.289,948 199.215,949 635.76,950 24.259,951 8.396,952 62.164,953 104.239,954 66.423,955 69.779,956 6.763,957 541.471,959 541.471,960 223.474,961 94.289,964 470.844,965 153.916,966 11,968 68.412,969 155.062,972 541.471,973 118.549,974 199.215,977 541.471,978 86.58,979 118.884,980 18.011,981 94.289,982 541.471,983 118.549,984 199.215,986 0.561,987 0.314,988 0.172,989 0.093,990 26,991 11,992 0.186,993 18,994 2,995 1.154,996 5.991,997 423.218,998 0.154,999 26,1000 250.084,1005 34.085,1006 18.175,1007 10.914,1009 118.549,1010 20.297,1015 4.505,1017 18.011,1018 859.234,1019 61,1024 25.069,1028 -0.443,1031 92.708,1032 104.886,1034 0.22,1035 0.494,1036 0.707,1037 0.852,1038 0.903,1039 0.913,1040 5.345,1041 2.009,1042 6.192,1043 6.041,1044 4.875,1045 5.288,1046 2.8,1047 6.919,1048 4.789,1049 6.478,1050 1.892,1051 7.688,1052 5.694,1053 4.205,1054 4.879,1055 1.905,1056 7.633,1057 4.083,1058 7.735,1059 1.8,1060 9.287,1061 4.93,1062 6.375,1063 7.316,1064 3.624,1065 10.759,1066 6.215,1067 9.027,1068 1.596,1069 10.951,1070 3.767,1071 6.567,1072 7.779,1073 3.612,1074 12.388,1075 6.392,1076 10.357,1077 1.453,1078 12.661,1079 3.384,1080 8.146,1081 9.677,1082 4.93,1083 15.022,1084 7.938,1085 11.714,1086 1.404,1087 14.405,1088 3.287,1089 8.788,1090 10.573,1091 5.292,1092 17.064,1093 8.583,1094 13.094,1095 1.358,1096 16.175,1097 3.094,1098 10.102,1099 12.23,1100 6.391,1101 19.538,1102 9.873,1103 3.215,1104 1.255,1105 17.966,1106 2.942,1107 10.988,1108 13.356,1109 6.931,1110 21.773,1111 10.768,1112 2.762,1113 11.061,1114 19.774,1115 2.9,1116 12.187,1117 14.894,1118 7.902,1119 24.195,1120 11.954,1121 2.643,1122 8.529,1123 21.597,1124 4.198,1125 13.202,1126 16.147,1127 8.539,1128 26.52,1129 12.977,1130 2.522,1131 8.002,1132 23.432,1133 3.688,1134 14.358,1135 17.624,1136 9.436,1137 28.926,1138 14.126,1139 2.462,1140 6.965,1141 25.279,1142 3.676,1143 15.44,1144 18.947,1145 10.13,1146 31.291,1147 15.212,1148 2.272,1149 6.915,1150 27.134,1151 2.964,1152 16.585,1153 20.393,1154 10.981,1155 33.693,1156 16.353,1157 2.186,1158 6.849,1159 28.998,1160 2.895,1161 17.702,1162 21.758,1163 11.71,1164 36.078,1165 17.471,1166 51355,1167 78191,1168 34.265,1169 59.495,1170 72.059,1171 74.631,1172 73.037,1173 71.639,1174 71.559,1175 86.724,1176 14.043,1177 190.492,1178 68.471,1179 5.553,1180 5.692,1181 6.684,1182 5.306,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.18,1188 17.066,1189 1.441,1190 1.493,1191 1.461,1192 1.433,1193 1.431,1194 1.734,1195 0.281,1196 3.81,1197 1.369,1198 4.053,1199 4.064,1200 4.017,1201 3.968,1202 7.435,1203 3.977,1204 3.943,1205 3.973,1206 3.88,1207 3.858,1208 7.427,1209 3.858,1210 3.846,1211 3.907,1212 3.716,1213 3.711,1214 4.948,1215 3.708,1216 3.781,1217 3.81,1218 3.714,1219 3.69,1220 4.814,1221 3.681,1222 3.741,1223 3.803,1224 3.6,1225 3.558,1226 4.708,1227 3.56,1228 3.66,1229 3.722,1230 3.53,1231 3.485,1232 4.627,1233 3.484,1234 3.579,1235 3.645,1236 3.444,1237 3.391,1238 4.385,1239 3.387,1240 3.399,1241 3.451,1242 3.267,1243 3.167,1244 4.303,1245 3.185,1246 0.091,1247 0.074,1248 0.135,1249 0.084,1250 0.064,1251 4.553,1252 0.084,1253 3.692,1254 0.044,1255 6.774,1256 0.221,1257 4.203,1258 0.064,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.058,1267 2.084,1268 1.413,1269 2.073,1270 1.911,1271 1.885,1272 2.055,1273 2.025,1274 1.271,1275 2.029,1276 1.815,1277 1.753,1278 2.031,1279 2.009,1280 1.254,1281 2.02,1282 1.775,1283 1.751,1284 1.953,1285 1.931,1286 1.164,1287 1.947,1288 1.718,1289 1.654,1290 1.911,1291 1.888,1292 1.135,1293 1.897,1294 1.638,1295 1.573,1296 1.855,1297 1.821,1298 1.112,1299 1.833,1300 1.558,1301 1.491,1302 1.827,1303 1.776,1304 0.974,1305 1.795,1306 1.338,1307 1.276,1308 1.633,1309 1.6,1310 0.888,1311 1.607,1312 4.615,1314 5.889,1316 7.352,1318 8.913,1320 10.533,1322 2.056,1328 15.602,1329 2.879,1330 22.84,1333 4.695,1340 55.943,1341 134.062,1342 300.493,1343 429.791,1344 517.877,1345 549.387,1346 555.387,1347 98.918,1348 8.833,1349 93.48,1350 93.48,1351 30,1352 12.776,1353 4.392,1354 3.585,1355 80.301,1356 378,1357 400,1358 0.096,1359 340.879,1360 610.86,1361 823.505,1362 141486,1364 31.978,1365 0.695,1366 0.587,1367 31.978,1368 27.008,1369 22.547,1370 0.451,1371 0.333,1372 16.423,1373 21.604,1374 16.102,1375 13.339,1376 22.547,1377 16.667,1378 19.327,1379 0.297,1380 0.186,1381 19.327,1382 12.064,1383 15.53,1384 0.192,1385 0.103,1386 15.53,1387 8.338,1388 12.953,1389 0.126,1390 0.057,1391 12.953,1392 5.82,1393 10.208,1394 0.08,1395 0.031,1396 10.208,1397 3.891,1398 0.164,1399 141.74,1400 0.171,1401 42.603,1402 0.231,1403 230,1404 670.036,1405 255.037,1406 625.617,1407 847.85,1408 590,1409 261,1410 609.472,1411 285.711,1412 609.162,1413 891.01,1414 573,1415 7.562}
{0 CHEMBL127527,1 1.355,2 12.444,3 3.801,4 14.448,5 110.059,6 6.431,7 0.414,8 4.098,9 4.228,10 3.541,11 3.625,12 5.069,13 3.572,14 4.674,15 4.876,16 3.842,17 4.009,18 5.562,19 3.925,20 4.949,21 5.184,22 3.882,23 4.188,24 5.767,25 4.062,26 5.061,27 5.325,28 3.821,29 4.213,30 5.838,31 4.046,32 5.091,33 5.377,34 3.8,35 4.186,36 5.86,37 4.021,38 5.012,39 5.278,40 3.784,41 4.153,42 5.851,43 3.996,44 4.976,45 5.232,46 3.627,47 4.101,48 5.798,49 3.921,50 4.94,51 5.236,52 3.422,53 3.947,54 5.701,55 3.737,56 0.05,57 0.785,58 13.476,59 5.61,60 8.608,61 7.874,62 0.255,63 1.286,64 24.724,65 8.894,66 23.439,67 12.967,68 0.286,69 1.608,70 32.522,71 11.811,72 29.944,73 17.223,74 0.31,75 1.713,76 36.125,77 13.61,78 34.663,79 19.881,80 0.333,81 1.709,82 37.481,83 13.463,84 42.663,85 19.821,86 0.434,87 1.597,88 34.763,89 12.82,90 45.218,91 18.479,92 0.297,93 1.5,94 33.338,95 12.835,96 41.162,97 18.117,98 0.355,99 1.394,100 32.279,101 11.657,102 45.98,103 17.037,104 14,105 38,106 0.224,107 0.504,108 0.71,109 0.805,110 0.839,111 0.839,112 3.339,113 1.018,114 -4.67,115 -4.59,116 -4.32,121 40.4,122 1,123 3,124 1,126 1,127 4,144 9,145 1,146 2,160 1,176 11,179 1,180 10,187 12,192 6,200 4,205 1,206 10,214 7,219 3,227 10,231 2,232 5,239 16,244 1,251 9,255 1,256 6,264 5,269 3,277 1,281 1147,282 18.438,283 18.438,284 18.438,285 18.438,286 18.438,287 16.806,288 23.587,289 11.158,290 18.797,291 14.272,292 14.272,293 14.272,294 14.272,295 14.272,296 11.872,297 31.14,298 5.245,299 14.753,300 4.478,301 2.786,302 1.541,303 0.965,304 0.763,305 0.763,306 4.024,311 1,312 1,313 711,314 3.536,318 309.612,325 1.951,326 16.334,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 57,338 336,339 4.236,340 3.708,341 6.417,342 3.937,343 2.983,344 3.756,345 1.94,346 9.814,347 2.841,348 3.941,349 3.018,350 5.616,351 3.685,352 2.722,353 3.457,354 0.916,355 7.788,356 2.628,357 3.768,358 2.915,359 5.385,360 3.472,361 2.483,362 3.046,363 0.86,364 7.01,365 2.464,366 3.594,367 2.59,368 5.322,369 3.382,370 2.419,371 2.632,372 0.555,373 6.868,374 2.318,375 3.197,376 2.507,377 4.953,378 3.024,379 2.07,380 2.384,381 0.172,382 5.862,383 1.965,384 3.171,385 2.22,386 4.74,387 2.784,388 1.794,389 2.238,391 4.844,392 1.756,393 2.826,394 1.609,395 3.677,396 2.421,397 1.425,398 1.927,400 3.051,401 1.418,402 2.691,403 1.511,404 3.586,405 2.243,406 1.252,407 1.763,409 2.773,410 1.235,411 2.5,412 1.176,413 3.477,414 2.046,415 1.059,416 1.5,418 2.481,419 1.042,420 2.267,421 1.077,422 3.414,423 2,424 1,425 1.203,427 2.275,428 1,429 2,430 1,431 3.247,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.584,439 0.936,440 3.005,441 1.325,442 0.433,443 0.483,445 0.838,446 0.373,447 1.479,448 0.619,449 2.756,450 1.285,451 0.329,452 0.362,454 0.617,455 0.32,456 1.146,457 0.337,458 2.667,459 0.95,460 -0.028,461 -0.032,463 -0.072,464 -0.028,465 0.713,466 0.138,467 2.262,468 0.454,469 -0.532,470 -0.601,472 -1.213,473 -0.523,474 12.967,475 0.48,476 0.52,477 0.019,478 31.25,479 1.157,480 14.5,481 0.537,482 16.75,483 0.62,484 25.045,485 0.928,486 30.233,487 0.53,488 21.431,489 0.794,490 6.111,491 0.226,492 7.041,493 0.261,494 0.103,496 0.254,501 0.767,502 1.448,503 0.927,504 1.24,505 0.576,506 1.119,507 1.114,508 1.119,509 1.035,510 1.005,511 0.612,512 1.001,513 1.142,514 1.095,515 1.125,516 1.061,517 1.003,518 1.078,519 0.757,520 1.127,521 1.018,522 1.115,523 0.813,524 1.096,525 0.965,526 0.917,527 0.928,528 0.903,529 1.106,530 0.906,531 0.937,532 0.893,533 1.017,534 0.976,535 0.995,536 0.996,537 1.193,538 1.107,539 1.15,540 1.151,541 1.484,542 1.158,543 1.004,544 0.971,545 1.006,546 0.979,547 1.461,548 0.998,549 5,550 0.149,551 2.222,552 1.313,553 1.116,554 0.819,555 0.544,556 0.264,557 0.209,558 0.098,559 9615,560 21168,561 2.057,562 52.6,563 1,564 20,568 3,569 6,572 1.696,573 1.952,574 3.574,575 -0.843,577 1,582 77.226,583 1.355,584 3.047,585 4.292,586 4.868,587 5.07,588 5.07,589 3.056,590 4.106,591 4.726,592 3.761,593 1320.21,594 8.18,595 17833.3,597 1,599 1,600 332.475,601 1.277,602 4.698,603 0.172,604 0.009,605 0.058,606 0.035,607 0.033,608 0.024,609 0.016,610 0.01,611 0.01,612 0.005,613 0.372,614 0.33,615 1,616 0.806,617 136.739,618 0.036,619 -0.216,620 0.066,621 -0.091,622 0.021,623 -0.024,624 -0.021,625 0.026,626 -0.018,627 0.019,628 0.065,629 0.004,630 -0.129,631 -0.023,632 -0.128,633 -0.061,634 -0.064,635 -0.087,636 0.045,637 -0.133,638 -0.054,639 -0.123,640 0.032,641 -0.104,642 -0.034,643 0.046,644 0.05,645 0.051,646 -0.038,647 0.06,648 0.082,649 0.094,650 -0.03,651 -0.001,652 0.055,653 -0.019,654 -0.107,655 -0.162,656 -0.168,657 -0.148,658 -0.145,659 -0.166,660 0.005,661 -0.065,662 -0.031,663 -0.035,664 -0.122,665 -0.04,666 1.579,667 5.149,668 0.667,669 27.981,670 0.986,671 1.127,672 3.443,673 11.854,674 0.642,675 3.401,676 3.664,677 3.871,678 4.06,679 4.248,680 4.205,681 4.248,682 4.29,683 4.317,684 4.331,685 7.271,686 0.594,687 366.55,688 3.401,689 4.905,690 5.72,691 6.561,692 7.391,693 8.236,694 9.07,695 9.916,696 10.753,697 11.6,698 3.5,701 1,705 1,715 9,720 3,722 12,739 1,741 57,743 13,744 2,745 29,747 59,748 23,749 12,750 3,751 9,756 3,757 3,763 1,767 2,768 1,770 3,772 13,773 10,774 1,777 1,782 1,786 1,790 1,793 30,794 4,796 4,802 2,808 1,809 2,829 3,844 1,855 1,859 3,864 2,868 27,876 7,878 1,880 1,881 2,893 3.5,896 1,898 1,901 13.833,902 10.567,903 6.139,904 3.542,907 1.848,908 1.263,909 0.948,910 7.167,911 8.873,912 3.611,913 4.078,914 4.5,915 4.951,916 5.381,917 5.276,918 5.417,919 5.52,920 5.424,921 5.522,922 1,923 38,924 10.017,926 4.077,927 0.026,929 7.537,931 19.785,933 16.077,936 2.037,937 55,939 1,940 1,941 353.133,942 136.911,943 6.249,945 36.145,948 136.911,949 389.278,950 6.249,951 19.708,952 19.151,953 85.286,954 29.85,955 25.31,957 353.133,959 353.133,960 143.16,961 36.145,964 282.506,965 106.771,968 31.1,969 112.06,972 353.133,973 42.393,974 136.911,977 353.133,978 31.917,979 111.243,981 36.145,982 353.133,983 42.393,984 136.911,986 0.565,987 0.324,988 0.17,989 0.093,990 16,991 7,992 0.119,993 7,995 1,996 3.997,997 213.408,999 18,1000 120.382,1005 19.753,1006 9.796,1007 5.736,1009 42.393,1010 18.44,1015 3.091,1018 532.438,1019 36,1024 12.149,1028 0.088,1031 56.229,1032 64.228,1034 0.232,1035 0.522,1036 0.736,1037 0.835,1038 0.869,1039 0.869,1040 4.82,1041 1.252,1042 5.666,1043 3.051,1044 4.344,1045 4.762,1046 2.368,1047 6.392,1048 4.282,1049 5.957,1050 1.059,1051 7.171,1052 2.773,1053 3.761,1054 4.27,1055 1.738,1056 7.13,1057 3.649,1058 7.209,1059 1,1060 8.772,1061 2.481,1062 5.855,1063 6.735,1064 3.068,1065 10.169,1066 5.72,1067 8.488,1068 1,1069 10.432,1070 2.275,1071 6.089,1072 7.011,1073 3.151,1074 11.748,1075 5.888,1076 9.797,1077 0.433,1078 12.13,1079 2.136,1080 7.62,1081 8.982,1082 4.156,1083 14.282,1084 7.405,1085 11.126,1086 0.329,1087 13.855,1088 0.838,1089 8.249,1090 9.639,1091 4.544,1092 16.233,1093 7.963,1094 12.471,1095 -0.028,1096 15.6,1097 0.617,1098 9.527,1099 11.37,1100 5.387,1101 18.592,1102 9.225,1103 2.983,1104 -0.532,1105 17.361,1106 -0.072,1107 10.363,1108 12.25,1109 5.913,1110 20.719,1111 9.991,1112 2.722,1113 9.814,1114 19.136,1115 -1.213,1116 11.522,1117 13.839,1118 6.671,1119 23.018,1120 11.125,1121 2.483,1122 7.788,1123 20.921,1124 3.756,1125 12.467,1126 14.86,1127 7.263,1128 25.226,1129 12.005,1130 2.419,1131 7.01,1132 22.716,1133 3.457,1134 13.572,1135 16.357,1136 7.976,1137 27.507,1138 13.077,1139 2.07,1140 6.868,1141 24.519,1142 3.046,1143 14.577,1144 17.473,1145 8.603,1146 29.754,1147 14.02,1148 1.794,1149 5.862,1150 26.329,1151 2.632,1152 15.66,1153 18.907,1154 9.292,1155 32.032,1156 15.063,1157 1.425,1158 4.844,1159 28.146,1160 2.384,1161 16.697,1162 20.087,1163 9.936,1164 34.296,1165 16.042,1166 9317,1167 13920,1168 19.474,1169 36.58,1170 42.229,1171 42.838,1172 43.145,1173 41.895,1174 41.939,1175 51.5,1176 8.889,1177 112.715,1178 40.687,1179 5.236,1180 5.708,1181 6.219,1182 4.972,1183 4.983,1184 6.756,1185 3.348,1186 16.347,1187 4.841,1188 11.801,1189 1.456,1190 1.477,1191 1.488,1192 1.445,1193 1.446,1194 1.776,1195 0.307,1196 3.887,1197 1.403,1198 3.988,1199 4.034,1200 3.91,1201 3.887,1202 7.428,1203 3.885,1204 3.914,1205 3.947,1206 3.847,1207 3.833,1208 4.867,1209 3.833,1210 3.815,1211 3.861,1212 3.701,1213 3.713,1214 4.755,1215 3.703,1216 3.579,1217 3.629,1218 3.485,1219 3.37,1220 4.397,1221 3.388,1222 3.359,1223 3.43,1224 3.206,1225 3.169,1226 4.316,1227 3.168,1228 3.242,1229 3.309,1230 3.058,1231 2.975,1232 4.007,1233 2.979,1234 3.112,1235 3.206,1236 2.922,1237 2.946,1238 3.8,1239 2.932,1240 3.111,1241 3.195,1242 2.866,1243 2.941,1244 3.674,1245 2.91,1246 0.146,1247 0.128,1248 0.221,1249 0.136,1250 0.103,1251 4.236,1252 0.13,1253 3.708,1254 0.067,1255 6.417,1256 0.338,1257 3.937,1258 0.098,1259 2.983,1260 3.756,1261 1.94,1262 9.814,1263 2.841,1264 1.937,1265 1.899,1266 2.103,1267 2.075,1268 1.483,1269 2.087,1270 1.899,1271 1.871,1272 2.023,1273 2.013,1274 1.174,1275 2.014,1276 1.825,1277 1.778,1278 1.982,1279 1.941,1280 1.103,1281 1.961,1282 1.52,1283 1.463,1284 1.751,1285 1.75,1286 0.966,1287 1.749,1288 1.342,1289 1.272,1290 1.641,1291 1.572,1292 0.825,1293 1.597,1294 1.193,1295 1.12,1296 1.568,1297 1.503,1298 0.729,1299 1.525,1300 1.153,1301 1.064,1302 1.513,1303 1.376,1304 0.655,1305 1.429,1306 1.131,1307 1.055,1308 1.439,1309 1.344,1310 0.573,1311 1.383,1312 4.078,1314 5.352,1316 6.821,1318 8.372,1320 9.961,1322 3.294,1328 7.545,1330 5.296,1332 0.685,1333 4.412,1340 33.848,1341 77.226,1342 173.668,1343 244.661,1344 277.455,1345 288.965,1346 288.965,1347 45.03,1348 7.025,1349 32.78,1350 32.78,1351 18,1352 12.162,1353 3.807,1354 3,1355 47.237,1356 119,1357 113,1358 0.192,1359 210.303,1360 368.68,1361 504.9,1362 10726,1364 19.062,1365 0.706,1366 0.609,1367 19.062,1368 16.434,1369 13.152,1370 0.454,1371 0.339,1372 9.726,1373 12.715,1374 9.417,1375 7.856,1376 13.152,1377 9.839,1378 11.313,1379 0.298,1380 0.194,1381 11.313,1382 7.366,1383 9.129,1384 0.194,1385 0.116,1386 9.129,1387 5.462,1388 7.284,1389 0.128,1390 0.067,1391 7.284,1392 3.833,1393 5.781,1394 0.084,1395 0.04,1396 5.781,1397 2.78,1398 0.31,1399 81.756,1400 0.227,1401 26.512,1402 0.503,1403 134,1404 336.761,1405 143.922,1406 324.509,1407 441.25,1408 306,1409 152,1410 315.816,1411 161.814,1412 322.836,1413 462.38,1414 302,1415 7.337}
{0 CHEMBL1275924,1 1.726,2 7.706,3 1.77,4 3.132,5 66.08,6 7.537,7 0.333,8 3.616,9 3.742,10 3.428,11 3.149,12 4.588,13 3.072,14 4.194,15 4.363,16 3.612,17 3.485,18 5.529,19 3.385,20 4.465,21 4.715,22 3.559,23 3.593,24 5.423,25 3.406,26 4.349,27 4.613,28 3.54,29 3.514,30 5.362,31 3.277,32 4.284,33 4.486,34 3.415,35 3.313,36 5.58,37 3.188,38 4.133,39 4.338,40 3.04,41 3.113,42 5.361,43 3.041,44 3.901,45 4.131,46 2.64,47 3.05,48 4.838,49 2.914,50 3.812,51 4.085,52 2.431,53 3.039,54 4.458,55 2.826,56 0.166,57 0.501,58 11.229,59 3.65,60 17.993,61 4.231,62 0.573,63 0.76,64 17.446,65 5.67,66 60.174,67 7.116,68 0.495,69 0.866,70 23.483,71 7.448,72 39.824,73 9.017,74 0.29,75 0.766,76 26.6,77 8.644,78 36.387,79 8.441,80 0.518,81 0.63,82 24.754,83 6.863,84 72.603,85 6.095,86 0.451,87 0.539,88 18.204,89 4.804,90 61.1,91 5.294,92 0.24,93 0.486,94 11.6,95 3.93,96 31.258,97 5.444,98 0.072,99 0.472,100 10.209,101 4.312,102 11.195,103 6.186,104 5,105 24,106 0.327,107 0.611,108 0.707,109 0.78,110 0.796,111 0.796,112 2.907,113 1.223,114 -3.79,115 -3.75,116 -3.56,121 32.4,123 3,127 2,144 5,146 1,170 2,172 1,174 2,176 6,179 1,180 4,181 1,183 4,184 1,187 5,191 2,192 3,195 1,197 2,200 2,201 2,206 3,211 5,215 4,219 8,224 6,228 2,232 5,237 3,244 1,251 4,264 6,277 4,281 330,282 11.276,283 11.276,284 11.276,285 11.276,286 11.276,287 10.342,288 10.678,289 6.993,290 11.406,291 8.948,292 8.948,293 8.948,294 8.948,295 8.948,296 7.578,297 12.198,298 3.402,299 9.172,300 3.362,301 1.859,302 1.349,303 0.963,304 0.882,305 0.882,306 3.56,311 1,312 1,313 274,314 3,318 119.186,325 1.287,326 20.323,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 37.667,338 131,339 4.492,340 3.319,341 6.775,342 4.231,343 3.242,344 3.849,345 0.4,346 11.205,347 3.204,348 3.825,349 2.707,350 5.368,351 3.427,352 2.473,353 3.355,355 7.008,356 2.357,357 3.416,358 2.479,359 5.174,360 3.29,361 2.324,362 2.426,364 6.469,365 2.238,366 2.876,367 1.548,368 3.728,369 2.448,370 1.463,371 2.032,373 3.113,374 1.438,375 2.5,376 1.456,377 3.566,378 2.385,379 1.403,380 1.5,382 3,383 1.373,384 2.441,385 1.077,386 3.247,387 2,388 1,389 1.438,391 2.136,392 1,393 2,394 1,395 3.247,396 1.984,397 1,398 1,400 2.136,401 0.983,402 1.187,403 0.194,404 3.223,405 0.967,411 1,412 -0.109,413 2.74,414 0.747,415 -0.216,416 -0.245,418 -0.555,419 -0.207,420 0.555,421 -0.784,422 2,424 -1,425 -1,427 -2.347,428 -0.946,429 0.5,430 -0.957,431 1.78,433 -1,434 -1,436 -2.347,437 -0.988,438 0.271,439 -1,440 1.733,442 -1,443 -1.213,445 -2.487,446 -1,448 -1,449 1.555,450 -0.011,451 -1,452 -1.5,454 -2.589,455 -1,457 -1,458 1.555,459 -0.049,460 -1,461 -1.528,463 -3,464 -1,465 -0.5,466 -1.55,467 0.964,468 -0.797,469 -1.753,470 -1.947,472 -4.789,473 -1.653,474 8.3,475 0.488,476 0.429,477 0.025,478 18.75,479 1.103,480 8,481 0.471,482 10.75,483 0.632,484 13.233,485 0.778,486 19.9,487 0.585,488 11.617,489 0.683,490 3.375,491 0.199,492 4.782,493 0.281,494 0.08,495 0.12,496 0.108,501 1.051,502 1.459,503 0.84,504 1.63,505 0.895,506 1.103,507 0.485,508 1.267,509 0.964,510 1.155,511 0.354,512 1.141,513 0.995,514 0.902,515 0.878,516 0.74,517 0.822,518 0.931,519 0.997,520 1.138,521 1.297,522 1.493,523 0.832,524 0.934,525 2.257,526 0.992,527 1.621,528 1.374,529 2.506,530 0.878,531 2.137,532 0.847,533 1.335,534 0.898,535 2.402,536 0.9,537 1.122,538 0.801,539 0.884,540 0.561,541 1.224,542 1.062,543 0.109,544 0.998,545 0.649,546 0.751,547 0.127,548 1.223,549 4,551 1.111,552 1.25,553 0.782,554 0.375,555 0.281,556 0.007,557 0.032,558 0.023,559 2378,560 6056,561 2.014,562 50,563 2,564 9,567 2,569 4,572 1.568,573 1.907,574 2.962,575 0.526,577 1,578 1,579 1,582 58.678,583 1.726,584 3.229,585 3.738,586 4.124,587 4.205,588 4.205,589 2.44,590 2.676,591 4.062,592 3.074,593 418.067,594 6.858,595 3813.07,597 1,599 1,600 172.974,601 1.322,602 4.017,603 0.222,605 0.046,606 0.063,607 0.041,608 0.021,609 0.02,610 0.001,611 0.004,612 0.006,613 0.423,614 0.5,615 1,616 0.604,617 70.764,618 -0.235,619 -0.11,620 0.298,621 -0.227,622 -0.219,623 0.002,624 0.54,625 -0.099,626 -0.011,627 -0.139,628 0.484,629 -0.16,630 -0.001,631 0.079,632 0.049,633 0.133,634 -0.03,635 -0.003,636 0.012,637 -0.138,638 0.049,639 -0.07,640 0.098,641 0.065,642 -0.379,643 -0.059,644 -0.256,645 -0.054,646 -0.318,647 0.011,648 -0.441,649 0.051,650 -0.327,651 -0.015,652 -0.396,653 -0.037,654 -0.252,655 0.139,656 -0.227,657 0.049,658 -0.252,659 -0.106,660 0.087,661 -0.055,662 -0.052,663 -0.092,664 0.038,665 -0.161,666 4.613,667 4.832,668 0.706,669 10.062,670 1.007,671 1.137,672 2.558,673 6.545,674 0.651,675 2.944,676 3.219,677 3.296,678 3.526,679 3.611,680 3.367,681 3.367,682 3.367,683 3.045,684 3.045,685 4.679,686 0.598,687 256.27,688 2.944,689 4.443,690 5.22,691 6.075,692 6.868,693 7.73,694 8.529,695 9.393,696 10.195,697 11.061,698 5.9,700 1,701 1,715 5,720 1,722 6,741 34,743 7,744 1,745 18,747 35,748 11,749 6,750 1,751 5,756 2,757 2,767 3,770 3,772 6,773 5,777 1,782 1,788 1,790 1,793 17,794 5,795 2,796 6,797 1,802 2,808 1,809 3,816 1,829 2,857 1,859 2,868 17,875 1,876 5,877 1,878 1,881 1,893 8.8,894 1,896 1,898 1,901 8.917,902 5.6,903 3.75,904 2.059,905 1,907 1.077,908 1.187,909 0.957,910 4.321,911 6.842,912 3.135,913 3.597,914 3.845,915 4.299,916 4.649,917 4.354,918 4.505,919 4.704,920 4.204,921 4.384,922 1,923 20,924 6.535,926 2.917,927 0.026,929 7.91,931 12.167,933 9.954,936 2.41,937 40.972,938 0.002,941 183.595,942 64.44,943 16.219,945 64.317,947 7.028,948 64.44,949 240.883,950 16.219,952 11.815,953 97.731,954 27.291,955 15.167,957 176.567,959 176.567,960 80.659,961 64.317,962 7.028,964 129.482,965 74.269,966 37.132,968 28.034,969 52.625,970 7.028,972 176.567,973 80.536,974 64.44,975 7.028,976 7.028,977 176.567,978 17.058,979 50.383,980 13.218,981 64.317,982 176.567,983 80.536,984 71.468,986 0.568,987 0.292,988 0.162,989 0.086,990 11,991 4,992 0.114,993 4,995 1,996 2.995,997 109.65,999 12,1000 61.487,1005 12.748,1006 5.762,1007 4.227,1009 80.536,1010 8.654,1015 0.392,1017 50.349,1018 328.571,1019 22,1024 11.832,1030 -3.807,1031 34.229,1032 38.67,1034 0.339,1035 0.635,1036 0.735,1037 0.811,1038 0.827,1039 0.827,1040 4.35,1042 5.22,1043 2.136,1044 3.892,1045 4.277,1046 0.278,1047 5.989,1048 3.842,1049 5.522,1050 -0.216,1051 6.749,1053 3.611,1054 4.135,1056 7.195,1057 3.546,1058 6.827,1059 -1,1060 8.4,1061 -0.555,1062 5.517,1063 6.323,1064 0.05,1065 10.098,1066 5.423,1067 8.169,1068 -1,1069 10.129,1070 -2.347,1071 6.043,1072 6.94,1074 12.111,1075 5.945,1076 9.549,1077 -1,1078 11.909,1079 -2.347,1080 7.486,1081 8.692,1082 0.008,1083 14.654,1084 7.366,1085 10.954,1086 -1,1087 13.725,1088 -2.487,1089 8.369,1090 9.634,1092 16.936,1093 8.251,1094 12.379,1095 -1,1096 15.564,1097 -2.589,1098 9.636,1099 11.203,1100 0.001,1101 19.386,1102 9.502,1103 3.242,1104 -1.753,1105 17.421,1106 -3,1107 10.681,1108 12.306,1110 21.758,1111 10.547,1112 2.473,1113 11.205,1114 19.291,1115 -4.789,1116 11.882,1117 13.781,1119 24.184,1120 11.737,1121 2.324,1122 7.008,1123 21.17,1124 3.849,1125 13,1126 14.975,1128 26.585,1129 12.85,1130 1.463,1131 6.469,1132 23.057,1133 3.355,1134 14.179,1135 16.396,1137 29.004,1138 14.02,1139 1.403,1140 3.113,1141 24.949,1142 2.426,1143 15.329,1144 17.644,1146 31.415,1147 15.162,1148 1,1149 3,1150 26.846,1151 2.032,1152 16.503,1153 19.034,1155 33.832,1156 16.326,1157 1,1158 2.136,1159 28.747,1160 1.5,1161 17.666,1162 20.317,1164 36.247,1165 17.481,1166 2394,1167 3967,1168 11.901,1169 22.148,1170 25.989,1171 26.083,1172 26.137,1173 25.84,1174 25.809,1175 31.199,1176 0.8,1177 70.133,1178 25.187,1179 5.492,1180 5.319,1181 6.577,1182 5.266,1183 5.242,1184 6.849,1185 0.8,1186 17.839,1187 5.204,1188 6.3,1189 1.444,1190 1.449,1191 1.452,1192 1.436,1193 1.434,1194 1.733,1195 0.044,1196 3.896,1197 1.399,1198 3.926,1199 3.963,1200 4.441,1201 3.916,1202 7.431,1203 3.825,1204 3.826,1205 3.882,1206 3.773,1207 3.734,1208 6.346,1209 3.671,1210 3.552,1211 3.569,1212 3.654,1213 3.617,1214 4.819,1215 3.381,1216 3.111,1217 3.206,1218 2.866,1219 2.941,1220 4.365,1221 2.91,1222 3.006,1223 3.093,1224 2.855,1225 2.75,1226 4.136,1227 2.754,1228 2.854,1229 2.925,1230 2.715,1231 2.735,1232 3.749,1233 2.715,1234 2.805,1235 2.852,1236 2.687,1237 2.675,1238 3.674,1239 2.645,1240 2.284,1241 2.418,1242 1.98,1243 1.763,1244 3.474,1245 1.787,1246 0.25,1247 0.184,1248 0.376,1249 0.235,1250 0.18,1251 4.492,1252 0.214,1253 3.319,1254 0.022,1255 6.775,1256 0.623,1257 4.231,1258 0.178,1259 3.242,1260 3.849,1261 0.4,1262 11.205,1263 3.204,1264 1.877,1265 1.853,1266 2.038,1267 2.009,1268 1.391,1269 2.031,1270 1.81,1271 1.744,1272 1.992,1273 1.96,1274 1.043,1275 1.976,1276 1.4,1277 1.386,1278 1.513,1279 1.523,1280 0.825,1281 1.625,1282 1.153,1283 1.064,1284 1.367,1285 1.376,1286 0.656,1287 1.429,1288 0.952,1289 0.864,1290 1.181,1291 1.219,1292 0.417,1293 1.261,1294 0.886,1295 0.821,1296 1.106,1297 1.062,1298 0.218,1299 1.107,1300 0.784,1301 0.734,1302 0.94,1303 0.979,1304 0.118,1305 1.006,1306 0.172,1307 0.002,1308 0.785,1309 0.706,1311 0.699,1312 3.611,1314 4.89,1316 6.358,1318 7.901,1320 9.48,1327 9.701,1328 4.815,1329 2.566,1330 5.063,1333 1.757,1340 20.325,1341 58.678,1342 109.78,1343 127.099,1344 140.219,1345 142.974,1346 142.974,1347 29.278,1348 5.765,1349 61.8,1350 71.61,1351 12,1352 11.621,1353 3,1354 2.322,1355 28.457,1356 46,1357 41,1358 0.3,1359 132.224,1360 223.52,1361 314.385,1362 1904,1364 12.14,1365 0.714,1366 0.616,1367 12.39,1368 10.475,1369 8.157,1370 0.453,1371 0.408,1372 5.802,1373 7.087,1374 5.59,1375 4.654,1376 9.01,1377 7.337,1378 7.581,1379 0.316,1380 0.229,1381 8.867,1382 5.496,1383 5.132,1384 0.197,1385 0.138,1386 5.973,1387 3.59,1388 4.429,1389 0.134,1390 0.086,1391 5.456,1392 2.823,1393 3.263,1394 0.091,1395 0.053,1396 4.077,1397 1.925,1398 0.462,1399 59.377,1400 0.29,1401 17.311,1402 0.844,1403 84,1404 269.211,1405 129.31,1406 265.741,1407 354.32,1408 244,1409 92,1410 232.688,1411 147.943,1412 261.952,1413 381.41,1414 245,1415 4.292}
{0 CHEMBL1276534,1 1.773,2 8.76,3 -0.29,4 0.084,5 94.129,6 7.539,7 0.222,8 4,9 4.137,10 3.731,11 3.456,12 4.994,13 3.408,14 4.599,15 4.789,16 3.987,17 3.816,18 5.703,19 3.747,20 4.856,21 5.097,22 4.056,23 3.972,24 5.875,25 3.833,26 4.818,27 5.074,28 4.071,29 3.994,30 5.964,31 3.784,32 4.841,33 5.085,34 4.068,35 3.916,36 5.988,37 3.791,38 4.855,39 5.081,40 3.984,41 3.867,42 6.073,43 3.829,44 4.858,45 5.081,46 3.849,47 3.956,48 5.884,49 3.886,50 4.887,51 5.107,52 3.742,53 4.032,54 5.866,55 3.902,56 0.198,57 0.75,58 14.076,59 4.073,60 14.394,61 5.772,62 0.688,63 1.113,64 27,65 7.031,66 44.225,67 9.348,68 0.966,69 1.285,70 34.952,71 9.268,72 63.652,73 11.9,74 0.798,75 1.256,76 40.231,77 11.741,78 87.421,79 12.965,80 0.943,81 1.219,82 43.307,83 9.984,84 95.845,85 11.227,86 1.106,87 1.216,88 33.278,89 7.062,90 100.037,91 10.594,92 0.761,93 1.244,94 31.17,95 8.906,96 68.406,97 12.816,98 0.654,99 1.285,100 30.211,101 10.986,102 75.306,103 15.477,104 5,105 36,106 0.305,107 0.566,108 0.649,109 0.676,110 0.686,111 0.686,112 3.267,113 1.116,114 -2.97,115 -2.98,116 -2.87,121 30.6,127 8,144 5,145 1,160 1,172 2,176 6,180 1,183 4,184 3,185 1,187 6,191 4,192 2,195 4,197 2,200 3,205 2,206 3,209 4,211 4,218 2,219 5,224 5,231 2,232 6,235 4,237 4,243 2,244 5,249 2,255 2,256 4,269 4,281 1082,282 16.966,283 16.966,284 16.966,285 16.966,286 16.966,287 15.965,288 20.843,289 10.483,290 17.439,291 13.393,292 13.393,293 13.393,294 13.393,295 13.393,296 11.83,297 27.246,298 5.06,299 14.059,300 3.842,301 2.326,302 1.844,303 1.689,304 1.633,305 1.633,306 3.949,311 1,312 1,313 466,314 3.674,318 282.113,325 1.248,326 33.172,329 1,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.98,337 56.167,338 219,339 4.568,340 3.624,341 7.046,342 4.33,343 3.336,344 3.915,345 0.98,346 12.162,347 3.316,348 4.093,349 3.231,350 5.994,351 3.737,352 2.728,353 3.612,354 0.86,355 8.467,356 2.746,357 3.473,358 2.783,359 5.368,360 3.407,361 2.473,362 2.512,363 0.86,364 7.008,365 2.306,366 3.389,367 2.651,368 5.222,369 3.27,370 2.335,371 2.473,372 0.4,373 6.566,374 2.178,375 3.223,376 2.178,377 4.292,378 2.757,379 1.748,380 2.363,381 0.4,382 4.041,383 1.757,384 2.561,385 2.09,386 3.728,387 2.33,388 1.463,389 1.522,391 3.113,392 1.258,393 2.5,394 2.022,395 3.635,396 2.275,397 1.406,398 1.5,400 3.014,401 1.213,402 2.463,403 1.323,404 3.482,405 2.048,406 1.04,407 1.463,409 2.494,410 1.039,411 2.417,412 1.256,413 3.247,414 2,415 1,416 1.399,418 2.136,419 1,420 2,421 1.256,422 3.247,423 1.952,424 1,425 1,427 2.136,428 0.946,429 2,430 1,431 3.247,432 1.952,433 1,434 1,436 2.136,437 0.946,438 1,439 0.469,440 3.223,441 0.954,447 1,448 0.133,449 3.066,450 0.836,451 -0.149,452 -0.16,454 -0.402,455 -0.146,456 1,457 -0.177,458 2.436,459 0.48,460 -0.516,461 -0.624,463 -1.346,464 -0.511,465 0.741,466 -0.36,467 1.864,468 0.279,469 -0.763,470 -1,472 -1.641,473 -0.795,474 11.833,475 0.473,476 0.526,477 0.021,478 26,479 1.04,480 9,481 0.36,482 17,483 0.68,484 22.857,485 0.914,486 29.567,487 0.603,488 20.391,489 0.816,490 5.299,491 0.212,492 6.847,493 0.274,494 0.056,495 0.085,496 0.152,501 0.905,502 1.656,503 0.842,504 1.581,505 0.66,506 1.135,507 1.132,508 1.233,509 1.158,510 1.26,511 0.697,512 1.047,513 1.179,514 0.862,515 1.049,516 0.846,517 1.092,518 0.944,519 0.734,520 1.242,521 1.359,522 1.619,523 0.945,524 1.031,525 1.467,526 1.235,527 1.542,528 1.646,529 1.975,530 0.896,531 1.328,532 0.904,533 1.05,534 0.719,535 1.732,536 0.854,537 1.203,538 0.867,539 0.927,540 0.705,541 1.452,542 0.971,543 0.731,544 1.052,545 0.861,546 0.89,547 0.974,548 1.29,549 5,550 0.033,551 2,552 1.938,553 1.133,554 0.75,555 0.629,556 0.253,557 0.09,558 0.068,559 6761,560 18774,561 2.076,562 49,564 21,567 3,572 1.688,573 1.987,574 3.11,575 1.124,577 1,582 86.869,583 1.773,584 3.289,585 3.771,586 3.926,587 3.982,588 3.982,589 2.493,590 3.604,591 4.615,592 3.285,593 985.632,594 8.026,595 12167.2,597 1,600 275.121,601 1.242,602 4.588,603 0.185,604 0.004,605 0.056,606 0.057,607 0.033,608 0.021,609 0.017,610 0.007,611 0.003,612 0.003,613 0.386,614 0.33,615 0.88,616 0.477,617 119.433,618 -0.105,619 -0.232,620 0.224,621 -0.19,622 -0.101,623 -0.033,624 -0.008,625 -0.039,626 -0.074,627 -0.089,628 0.073,629 -0.075,630 -0.092,631 0.195,632 -0.012,633 0.153,634 -0.098,635 -0.021,636 0.197,637 -0.159,638 0.024,639 -0.062,640 0.238,641 -0.013,642 -0.199,643 -0.185,644 -0.111,645 -0.13,646 -0.19,647 0.055,648 -0.056,649 0.124,650 -0.123,651 0.06,652 -0.097,653 0.012,654 -0.174,655 0.134,656 -0.136,657 0.036,658 -0.178,659 -0.006,660 0.041,661 -0.055,662 -0.157,663 -0.136,664 -0.032,665 -0.24,666 4.242,667 6.414,668 0.72,669 19.994,670 1.013,671 1.147,672 1.745,673 3.043,674 0.636,675 3.332,676 3.611,677 3.784,678 4.025,679 4.174,680 4.078,681 4.174,682 4.234,683 4.205,684 4.174,685 5.672,686 0.595,687 369.41,688 3.332,689 4.844,690 5.652,691 6.512,692 7.336,693 8.205,694 9.038,695 9.913,696 10.751,697 11.629,698 10.2,700 2,701 2,705 1,715 5,720 1,722 6,741 49,743 8,744 1,745 27,747 51,748 15,749 6,750 1,751 5,752 1,756 3,757 3,772 7,773 8,777 2,782 2,786 1,788 1,790 1,793 24,794 9,795 3,796 10,797 1,802 5,808 1,809 4,816 1,829 3,858 2,859 3,868 25,876 8,877 3,878 2,881 2,893 8.2,896 2,897 2,901 12.583,902 8.183,903 5.569,904 2.794,905 1,907 0.909,908 1.138,909 0.982,910 6.702,911 7.504,912 3.497,913 3.922,914 4.245,915 4.66,916 4.966,917 4.831,918 5.028,919 4.998,920 5.165,921 5.081,922 0.833,923 34,924 9.504,926 4.187,927 0.026,929 7.846,931 17.867,933 14.629,936 2.346,937 58.639,941 255.281,942 82.064,943 45.779,945 67.408,947 8.088,948 82.064,949 314.601,950 45.779,952 40.132,953 73.816,954 80.201,955 9.189,957 247.193,959 247.193,960 127.843,961 67.408,962 8.088,964 247.193,965 45.408,966 22,968 72.571,969 55.271,970 8.088,972 247.193,973 113.187,974 82.064,975 8.088,976 8.088,977 247.193,978 34.683,979 53.385,980 39.775,981 67.408,982 247.193,983 113.187,984 90.152,986 0.566,987 0.314,988 0.174,989 0.094,990 16,991 6,992 0.118,993 6,995 1,996 3.716,997 200.092,999 18,1000 90.096,1005 18.642,1006 8.987,1007 5.675,1009 113.187,1010 8.732,1015 0.454,1017 39.775,1018 450.532,1019 32,1024 25.908,1028 -0.398,1030 -3.437,1031 49.629,1032 56.205,1034 0.316,1035 0.586,1036 0.672,1037 0.699,1038 0.709,1039 0.709,1040 4.732,1041 1.04,1042 5.631,1043 3.014,1044 4.29,1045 4.605,1046 1.875,1047 6.415,1048 4.216,1049 5.876,1050 1,1051 7.168,1052 2.494,1053 3.892,1054 4.388,1056 7.567,1057 3.854,1058 7.166,1059 1,1060 8.825,1061 2.136,1062 5.9,1063 6.592,1064 1.636,1065 10.571,1066 5.795,1067 8.494,1068 1,1069 10.562,1070 2.136,1071 6.365,1072 7.221,1074 12.605,1075 6.314,1076 9.866,1078 12.354,1079 2.136,1080 7.854,1081 8.947,1082 1.483,1083 15.219,1084 7.751,1085 11.267,1086 -0.149,1087 14.183,1089 8.715,1090 9.939,1092 17.559,1093 8.654,1094 12.692,1095 -0.516,1096 16.04,1097 -0.402,1098 10.004,1099 11.478,1100 1.361,1101 20.078,1102 9.913,1103 3.336,1104 -0.763,1105 17.916,1106 -1.346,1107 11.048,1108 12.635,1110 22.522,1111 10.981,1112 2.728,1113 12.162,1114 19.808,1115 -1.641,1116 12.266,1117 14.089,1118 1.257,1119 25.021,1120 12.183,1121 2.473,1122 8.467,1123 21.711,1124 3.915,1125 13.393,1126 15.329,1128 27.5,1129 13.32,1130 2.335,1131 7.008,1132 23.623,1133 3.612,1134 14.59,1135 16.738,1136 1.169,1137 29.996,1138 14.508,1139 1.748,1140 6.566,1141 25.542,1142 2.512,1143 15.756,1144 18.024,1146 32.487,1147 15.675,1148 1.463,1149 4.041,1150 27.468,1151 2.473,1152 16.95,1153 19.409,1154 1.094,1155 34.983,1156 16.862,1157 1.406,1158 3.113,1159 29.398,1160 2.363,1161 18.134,1162 20.72,1164 37.479,1165 18.044,1166 6549,1167 11038,1168 18.257,1169 31.142,1170 39.299,1171 40.797,1172 40.261,1173 39.01,1174 39.056,1175 45.517,1176 7,1177 106.542,1178 37.41,1179 5.568,1180 5.624,1181 6.848,1182 5.434,1183 5.336,1184 6.915,1185 1.96,1186 19.015,1187 5.316,1188 8.247,1189 1.456,1190 1.511,1191 1.491,1192 1.445,1193 1.447,1194 1.686,1195 0.259,1196 3.946,1197 1.386,1198 3.958,1199 4.005,1200 4.47,1201 3.97,1202 7.435,1203 3.86,1204 3.84,1205 3.891,1206 3.832,1207 3.808,1208 7.382,1209 3.66,1210 3.744,1211 3.808,1212 3.622,1213 3.504,1214 4.731,1215 3.522,1216 3.577,1217 3.624,1218 3.601,1219 3.477,1220 4.65,1221 3.395,1222 3.176,1223 3.206,1224 3.163,1225 2.989,1226 4.619,1227 2.989,1228 3.111,1229 3.206,1230 2.866,1231 2.941,1232 4.182,1233 2.91,1234 3.111,1235 3.204,1236 2.866,1237 2.941,1238 3.953,1239 2.91,1240 2.901,1241 2.993,1242 2.763,1243 2.735,1244 3.729,1245 2.715,1246 0.169,1247 0.134,1248 0.261,1249 0.16,1250 0.124,1251 4.568,1252 0.145,1253 3.624,1254 0.036,1255 7.046,1256 0.45,1257 4.33,1258 0.123,1259 3.336,1260 3.915,1261 0.98,1262 12.162,1263 3.316,1264 1.907,1265 1.881,1266 2.016,1267 2.006,1268 1.205,1269 2.024,1270 1.746,1271 1.681,1272 1.913,1273 1.967,1274 1.18,1275 1.973,1276 1.674,1277 1.612,1278 1.902,1279 1.941,1280 1.078,1281 1.931,1282 1.477,1283 1.43,1284 1.513,1285 1.611,1286 0.825,1287 1.694,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.825,1293 1.429,1294 1.153,1295 1.064,1296 1.365,1297 1.376,1298 0.789,1299 1.429,1300 1.059,1301 1.032,1302 1.181,1303 1.317,1304 0.264,1305 1.29,1306 0.886,1307 0.821,1308 1.171,1309 1.184,1310 0.247,1311 1.155,1312 4.007,1314 5.293,1316 6.777,1318 8.341,1320 9.944,1328 4.584,1329 8.561,1330 10.617,1333 3.617,1340 29.158,1341 86.869,1342 161.147,1343 184.756,1344 192.366,1345 195.121,1346 195.121,1347 55.742,1348 6.594,1349 95.17,1350 104.98,1351 18,1352 12.175,1353 3.17,1354 2.585,1355 41.325,1356 78,1357 86,1358 0.238,1359 184.651,1360 319.51,1361 442.309,1362 5302,1364 17.537,1365 0.701,1366 0.597,1367 17.787,1368 14.913,1369 12.146,1370 0.45,1371 0.372,1372 8.28,1373 10.676,1374 8.041,1375 6.574,1376 12.926,1377 10.042,1378 10.806,1379 0.3,1380 0.213,1381 12.018,1382 7.657,1383 8.282,1384 0.193,1385 0.129,1386 9.471,1387 5.529,1388 7.074,1389 0.129,1390 0.079,1391 8.572,1392 4.351,1393 5.343,1394 0.083,1395 0.047,1396 6.608,1397 3.025,1398 0.364,1399 85.341,1400 0.234,1401 24.099,1402 0.686,1403 126,1404 424.843,1405 181.684,1406 402.441,1407 533.6,1408 376,1409 142,1410 350.84,1411 210.489,1412 374.046,1413 545.66,1414 350,1415 4.31}
{0 CHEMBL1276567,1 1.62,2 8.76,3 2.169,4 4.705,5 100.262,6 6.896,7 0.222,8 4.044,9 4.199,10 3.707,11 3.567,12 4.952,13 3.478,14 4.653,15 4.867,16 3.971,17 3.962,18 5.656,19 3.837,20 4.99,21 5.267,22 4.052,23 4.107,24 5.887,25 3.921,26 4.952,27 5.241,28 4.067,29 4.065,30 6,31 3.836,32 4.865,33 5.117,34 4.044,35 3.985,36 5.995,37 3.827,38 4.89,39 5.134,40 3.955,41 3.978,42 5.975,43 3.888,44 4.94,45 5.178,46 3.843,47 4.051,48 5.952,49 3.958,50 4.976,51 5.226,52 3.691,53 4.156,54 5.796,55 3.989,56 0.158,57 0.833,58 16.176,59 4.711,60 12.232,61 7.025,62 0.476,63 1.297,64 28.796,65 8.558,66 35.951,67 12.063,68 0.639,69 1.518,70 39.956,71 11.457,72 54.278,73 15.572,74 0.643,75 1.416,76 45.006,77 12.848,78 83.107,79 14.876,80 0.669,81 1.336,82 42.612,83 10.662,84 78.838,85 12.06,86 0.569,87 1.374,88 37.713,89 8.89,90 67.766,91 12.265,92 0.548,93 1.421,94 34.162,95 9.458,96 67.088,97 14.317,98 0.351,99 1.487,100 33.444,101 12.37,102 47.139,103 17.91,104 5,105 36,106 0.274,107 0.516,108 0.62,109 0.68,110 0.689,111 0.689,112 3.267,113 1.21,114 -4.95,115 -4.86,116 -4.56,121 32.1,123 6,127 4,144 5,145 1,160 1,172 2,176 10,180 5,183 4,184 3,185 1,187 8,191 2,192 4,195 4,197 6,200 3,205 2,206 3,209 2,211 6,218 2,219 9,224 13,232 12,237 8,244 11,249 2,251 4,256 4,264 14,277 16,281 1082,282 16.966,283 16.966,284 16.966,285 16.966,286 16.966,287 15.965,288 19.291,289 10.483,290 17.12,291 13.393,292 13.393,293 13.393,294 13.393,295 13.393,296 11.83,297 25.443,298 5.06,299 13.616,300 4.108,301 2.678,302 2.064,303 1.712,304 1.66,305 1.66,306 3.949,310 1,311 1,312 1,313 466,314 3.674,318 282.113,325 1.248,326 26.847,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 54.167,338 219,339 4.568,340 3.624,341 7.046,342 4.331,343 3.336,344 3.915,345 0.98,346 12.162,347 3.316,348 4.093,349 3.228,350 5.994,351 3.737,352 2.728,353 3.612,354 0.4,355 8.467,356 2.747,357 3.473,358 2.698,359 5.368,360 3.421,361 2.473,362 2.512,363 0.4,364 7.008,365 2.343,366 3.389,367 2.533,368 5.222,369 3.29,370 2.335,371 2.473,373 6.566,374 2.226,375 3.223,376 2.176,377 4.292,378 2.76,379 1.748,380 2.363,382 4.041,383 1.761,384 2.561,385 1.487,386 3.728,387 2.456,388 1.463,389 1.522,391 3.113,392 1.451,393 2.5,394 1.449,395 3.635,396 2.394,397 1.406,398 1.5,400 3.014,401 1.387,402 2.463,403 1.323,404 3.482,405 2.051,406 1.04,407 1.463,409 2.494,410 1.045,411 2.417,412 1.077,413 3.247,414 2,415 1,416 1.399,418 2.136,419 1,420 2,421 1.077,422 3.247,423 1.984,424 1,425 1,427 2.136,428 0.983,429 2,430 1,431 3.247,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1,439 0.46,440 3.223,441 0.986,447 1,448 0.055,449 3.066,450 0.857,451 -0.149,452 -0.16,454 -0.402,455 -0.149,456 1,457 -0.254,458 2.436,459 0.492,460 -0.516,461 -0.624,463 -1.346,464 -0.517,465 0.741,466 -0.604,467 1.864,468 0.279,469 -0.763,470 -1,472 -1.641,473 -0.795,474 12.167,475 0.487,476 0.526,477 0.021,478 25,479 1,480 9,481 0.36,482 16,483 0.64,484 25.496,485 1.02,486 29.233,487 0.552,488 17.752,489 0.71,490 4.302,491 0.172,492 7.843,493 0.314,494 0.055,495 0.082,496 0.148,501 0.864,502 1.53,503 0.912,504 1.496,505 0.616,506 1.147,507 0.69,508 1.319,509 1.119,510 1.341,511 0.515,512 1.175,513 1.071,514 0.959,515 0.941,516 0.891,517 0.938,518 0.958,519 1.058,520 1.117,521 1.29,522 1.406,523 0.954,524 0.88,525 2.009,526 1.182,527 1.65,528 1.531,529 2.178,530 0.874,531 2.034,532 1.076,533 1.355,534 1.088,535 1.993,536 0.89,537 1.783,538 0.879,539 1.042,540 0.695,541 1.879,542 0.972,543 0.925,544 0.943,545 0.896,546 0.812,547 1.058,548 1.181,549 5,550 0.033,551 2,552 1.938,553 1.133,554 0.75,555 0.629,556 0.253,557 0.09,558 0.068,559 6761,560 14374,561 2.076,562 52.8,563 4,564 13,567 3,569 8,572 1.688,573 1.987,574 3.11,575 1.045,576 1,577 1,582 85.877,583 1.62,584 3.05,585 3.664,586 4.016,587 4.068,588 4.068,589 2.493,590 3.604,591 4.615,592 3.285,593 985.632,594 8.026,595 12167.2,597 1,599 1,600 303.58,601 1.242,602 4.588,603 0.185,604 0.004,605 0.056,606 0.057,607 0.033,608 0.021,609 0.017,610 0.007,611 0.003,612 0.003,613 0.386,614 0.17,615 1,616 0.477,617 119.433,618 -0.082,619 -0.109,620 0.23,621 -0.115,622 -0.08,623 0.005,624 0.265,625 -0.082,626 -0.026,627 -0.161,628 0.176,629 -0.135,630 0.024,631 0.065,632 0.082,633 0.079,634 -0.011,635 -0.016,636 0.2,637 -0.108,638 0.1,639 0.01,640 0.25,641 0.08,642 -0.149,643 -0.1,644 -0.128,645 -0.037,646 -0.141,647 0.049,648 -0.325,649 -0.001,650 -0.197,651 -0.041,652 -0.197,653 0.011,654 -0.346,655 0.142,656 -0.207,657 0.035,658 -0.236,659 -0.037,660 -0.147,661 0.045,662 -0.178,663 -0.055,664 -0.13,665 -0.148,666 4.131,667 6.496,668 0.72,669 19.994,670 0.995,671 1.144,672 3.724,673 13.872,674 0.637,675 3.332,676 3.611,677 3.784,678 4.025,679 4.174,680 4.078,681 4.174,682 4.234,683 4.205,684 4.174,685 5.672,686 0.581,687 365.47,688 3.332,689 4.844,690 5.652,691 6.512,692 7.336,693 8.205,694 9.038,695 9.913,696 10.751,697 11.629,698 9.4,700 2,701 2,705 1,715 5,720 1,722 6,741 53,743 8,744 1,745 27,747 55,748 17,749 6,750 1,751 5,752 1,756 3,757 3,767 6,770 6,772 7,773 10,777 2,782 2,786 1,788 1,789 1,790 1,793 28,794 7,795 3,796 8,797 1,802 5,808 1,809 2,816 1,829 3,859 3,868 25,876 10,877 3,881 2,893 3.8,896 2,901 12.583,902 8.85,903 5.569,904 3.461,905 1,907 0.909,908 1.138,909 0.994,910 6.77,911 7.504,912 3.497,913 3.922,914 4.245,915 4.66,916 4.966,917 4.831,918 5.028,919 4.998,920 5.165,921 5.081,922 0.833,923 34,924 9.53,926 4.198,927 0.026,929 7.686,931 18.431,933 15.55,936 2.186,937 54.639,941 302.366,942 78.901,943 45.779,945 45.408,947 8.088,948 78.901,949 339.686,950 45.779,952 36.97,953 73.816,954 58.201,955 9.189,957 294.278,959 294.278,960 124.68,961 45.408,962 8.088,964 200.109,965 139.577,968 69.409,969 55.271,970 8.088,972 294.278,973 91.187,974 78.901,975 8.088,976 8.088,977 294.278,978 31.52,979 53.385,980 39.775,981 45.408,982 294.278,983 91.187,984 86.99,986 0.566,987 0.314,988 0.174,989 0.094,990 16,991 6,992 0.109,993 6,995 1,996 3.716,997 200.092,999 18,1000 90.096,1005 18.718,1006 9.042,1007 5.716,1009 91.187,1010 8.906,1015 0.503,1017 39.775,1018 472.454,1019 32,1024 26.039,1028 -0.335,1030 -3.326,1031 52.741,1032 60.616,1034 0.283,1035 0.533,1036 0.64,1037 0.701,1038 0.71,1039 0.71,1040 4.732,1041 1.04,1042 5.631,1043 3.014,1044 4.29,1045 4.605,1046 1.27,1047 6.415,1048 4.26,1049 5.876,1050 1,1051 7.168,1052 2.494,1053 3.892,1054 4.388,1056 7.567,1057 3.854,1058 7.166,1059 1,1060 8.825,1061 2.136,1062 5.9,1063 6.592,1064 1.08,1065 10.571,1066 5.843,1067 8.494,1068 1,1069 10.562,1070 2.136,1071 6.365,1072 7.221,1074 12.605,1075 6.314,1076 9.866,1078 12.354,1079 2.136,1080 7.854,1081 8.947,1082 1.025,1083 15.219,1084 7.785,1085 11.267,1086 -0.149,1087 14.183,1089 8.715,1090 9.939,1092 17.559,1093 8.657,1094 12.692,1095 -0.516,1096 16.04,1097 -0.402,1098 10.004,1099 11.478,1100 0.994,1101 20.078,1102 9.934,1103 3.336,1104 -0.763,1105 17.916,1106 -1.346,1107 11.048,1108 12.635,1110 22.522,1111 10.985,1112 2.728,1113 12.162,1114 19.808,1115 -1.641,1116 12.266,1117 14.089,1118 0.967,1119 25.021,1120 12.195,1121 2.473,1122 8.467,1123 21.711,1124 3.915,1125 13.393,1126 15.329,1128 27.5,1129 13.324,1130 2.335,1131 7.008,1132 23.623,1133 3.612,1134 14.59,1135 16.738,1136 0.942,1137 29.996,1138 14.515,1139 1.748,1140 6.566,1141 25.542,1142 2.512,1143 15.756,1144 18.024,1146 32.487,1147 15.679,1148 1.463,1149 4.041,1150 27.468,1151 2.473,1152 16.95,1153 19.409,1154 0.917,1155 34.983,1156 16.867,1157 1.406,1158 3.113,1159 29.398,1160 2.363,1161 18.134,1162 20.72,1164 37.479,1165 18.047,1166 6549,1167 9734,1168 18.257,1169 33.756,1170 39.299,1171 40.354,1172 40.261,1173 39.058,1174 39.056,1175 45.517,1176 3.56,1177 106.542,1178 38.485,1179 5.568,1180 5.624,1181 6.848,1182 5.366,1183 5.336,1184 6.915,1185 1.96,1186 19.015,1187 5.316,1188 8.247,1189 1.456,1190 1.495,1191 1.491,1192 1.447,1193 1.447,1194 1.686,1195 0.132,1196 3.946,1197 1.425,1198 3.968,1199 4.023,1200 4.47,1201 3.976,1202 7.435,1203 3.863,1204 3.863,1205 3.91,1206 3.832,1207 3.81,1208 7.382,1209 3.716,1210 3.805,1211 3.878,1212 3.664,1213 3.647,1214 4.729,1215 3.64,1216 3.622,1217 3.68,1218 3.651,1219 3.626,1220 4.425,1221 3.471,1222 3.2,1223 3.242,1224 3.166,1225 2.996,1226 4.32,1227 3.007,1228 3.111,1229 3.206,1230 2.886,1231 2.941,1232 3.96,1233 2.91,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.695,1239 2.91,1240 3.062,1241 3.175,1242 2.866,1243 2.771,1244 3.677,1245 2.782,1246 0.169,1247 0.134,1248 0.261,1249 0.16,1250 0.124,1251 4.568,1252 0.145,1253 3.624,1254 0.036,1255 7.046,1256 0.45,1257 4.331,1258 0.123,1259 3.336,1260 3.915,1261 0.98,1262 12.162,1263 3.316,1264 1.908,1265 1.881,1266 2.041,1267 2.029,1268 1.396,1269 2.055,1270 1.83,1271 1.763,1272 2.036,1273 1.992,1274 1.388,1275 2.01,1276 1.8,1277 1.733,1278 2.016,1279 1.984,1280 1.08,1281 1.996,1282 1.538,1283 1.483,1284 1.513,1285 1.643,1286 0.846,1287 1.741,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.825,1293 1.429,1294 1.153,1295 1.064,1296 1.426,1297 1.376,1298 0.825,1299 1.429,1300 1.093,1301 1.054,1302 1.341,1303 1.371,1304 0.594,1305 1.347,1306 1.008,1307 0.898,1308 1.301,1309 1.333,1310 0.529,1311 1.341,1312 4.007,1314 5.293,1316 6.777,1318 8.341,1320 9.944,1328 10.037,1329 8.884,1333 3.93,1340 30.782,1341 85.877,1342 161.657,1343 194.196,1344 212.825,1345 215.58,1346 215.58,1347 56.253,1348 6.594,1349 76.71,1350 86.52,1351 18,1352 12.175,1353 3.17,1354 2.585,1355 41.325,1356 78,1357 86,1358 0.238,1359 195.843,1360 336.53,1361 469.618,1362 5302,1364 17.537,1365 0.701,1366 0.62,1367 17.787,1368 15.51,1369 12.146,1370 0.45,1371 0.403,1372 9.204,1373 10.966,1374 8.921,1375 7.412,1376 12.926,1377 10.887,1378 10.806,1379 0.3,1380 0.238,1381 12.018,1382 8.554,1383 8.282,1384 0.193,1385 0.145,1386 9.471,1387 6.219,1388 7.074,1389 0.129,1390 0.091,1391 8.572,1392 5.012,1393 5.343,1394 0.083,1395 0.058,1396 6.608,1397 3.7,1398 0.364,1399 83.341,1400 0.234,1401 24.099,1402 0.686,1403 126,1404 337.372,1405 175.927,1406 336.47,1407 454.88,1408 312,1409 142,1410 311.567,1411 204.952,1412 338.802,1413 492.7,1414 318,1415 4.347}
{0 CHEMBL1276594,1 1.755,2 7.913,3 0.486,4 0.236,5 87.114,6 7.443,7 0.24,8 3.941,9 4.072,10 3.686,11 3.384,12 4.89,13 3.339,14 4.552,15 4.735,16 3.928,17 3.726,18 5.647,19 3.667,20 4.784,21 5.021,22 3.961,23 3.892,24 5.739,25 3.731,26 4.703,27 4.957,28 3.972,29 3.925,30 5.639,31 3.685,32 4.777,33 5.005,34 3.97,35 3.799,36 5.883,37 3.702,38 4.748,39 4.954,40 3.833,41 3.75,42 5.938,43 3.737,44 4.699,45 4.921,46 3.666,47 3.958,48 5.485,49 3.837,50 4.908,51 5.17,52 3.55,53 4.034,54 5.595,55 3.84,56 0.196,57 0.682,58 14.027,59 4.169,60 13.109,61 5.541,62 0.728,63 1.005,64 25.658,65 6.373,66 46.779,67 8.713,68 0.969,69 1.151,70 32.94,71 9.036,72 49.914,73 11.104,74 0.555,75 1.124,76 38.611,77 11.975,78 39.546,79 12.08,80 0.91,81 1.068,82 41.261,83 9.266,84 80.981,85 9.99,86 1.238,87 1.084,88 29.122,89 5.852,90 92.729,91 9.203,92 0.417,93 1.223,94 24.079,95 8.929,96 22.897,97 13.183,98 0.281,99 1.283,100 31.116,101 12.262,102 28.169,103 17.547,104 2,105 33,106 0.308,107 0.545,108 0.624,109 0.653,110 0.664,111 0.664,112 3.189,113 1.13,114 -3.14,115 -3.13,116 -3.01,121 30.4,127 8,144 5,146 1,172 2,176 4,179 1,180 2,183 4,184 1,187 4,191 6,192 2,195 2,200 2,205 1,206 3,209 2,211 4,219 6,224 4,231 4,232 5,235 2,237 2,243 2,244 2,256 4,269 4,281 867,282 15.759,283 15.759,284 15.759,285 15.759,286 15.759,287 14.849,288 19.672,289 9.844,290 16.285,291 12.432,292 12.432,293 12.432,294 12.432,295 12.432,296 11.075,297 25.036,298 4.785,299 13.215,300 3.768,301 2.418,302 1.964,303 1.799,304 1.739,305 1.739,306 3.873,311 1,312 1,313 389,314 3.24,318 250.33,325 1.157,326 26.547,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 51.667,338 182,339 4.562,340 3.401,341 7.042,342 4.32,343 3.331,344 3.908,345 0.86,346 12.154,347 3.293,348 3.835,349 2.783,350 5.368,351 3.425,352 2.473,353 3.368,354 0.86,355 7.008,356 2.354,357 3.473,358 2.758,359 5.368,360 3.407,361 2.473,362 2.473,363 0.4,364 7.008,365 2.306,366 3.373,367 2.521,368 5.146,369 3.228,370 2.282,371 2.387,372 0.4,373 6.355,374 2.149,375 2.877,376 2.09,377 3.728,378 2.422,379 1.463,380 2.032,382 3.113,383 1.402,384 2.5,385 2.017,386 3.728,387 2.33,388 1.463,389 1.5,391 3.113,392 1.258,393 2.463,394 1.538,395 3.545,396 2.258,397 1.376,398 1.463,400 2.96,401 1.197,402 2.421,403 1.256,404 3.247,405 2,406 1,407 1.415,409 2.136,410 1,411 2,412 1.256,413 3.247,414 1.952,415 1,416 1,418 2.136,419 0.946,420 2,421 1,422 3.247,423 1.952,424 1,425 1,427 2.136,428 0.946,429 1.191,430 0.218,431 3.223,432 0.954,438 1,439 0.133,440 3.223,441 0.947,447 1,448 -0.193,449 2.465,450 0.604,451 -0.35,452 -0.41,454 -0.854,455 -0.332,456 0.5,457 -0.36,458 1.829,460 -1,461 -1,463 -2.347,464 -0.846,465 0.479,466 -0.36,467 1.733,469 -1,470 -1,472 -2.347,473 -0.846,474 10.933,475 0.475,476 0.437,477 0.019,478 23.75,479 1.033,480 8,481 0.348,482 15.75,483 0.685,484 20.616,485 0.896,486 27.467,487 0.597,488 17.103,489 0.744,490 4.784,491 0.208,492 6.451,493 0.28,494 0.03,495 0.091,496 0.119,501 0.969,502 1.666,503 0.828,504 1.658,505 0.779,506 1.171,507 1.204,508 1.251,509 1.087,510 1.15,511 0.785,512 1.03,513 1.227,514 0.803,515 1.072,516 0.777,517 1.142,518 0.916,519 0.821,520 1.319,521 1.543,522 1.915,523 0.985,524 1.082,525 1.862,526 1.209,527 1.602,528 1.619,529 2.65,530 0.855,531 1.523,532 0.746,533 1.052,534 0.48,535 2.145,536 0.8,537 0.543,538 0.979,539 0.834,540 0.784,541 0.43,542 1.216,543 0.322,544 1.153,545 0.721,546 0.966,547 0.23,548 1.341,549 4.5,551 1.333,552 1.688,553 0.933,554 0.563,555 0.482,556 0.021,557 0.097,558 0.068,559 5443,560 14477,561 2.109,562 50,564 21,567 2,572 1.665,573 2.044,574 2.996,575 0.45,577 1,582 80.739,583 1.755,584 3.106,585 3.559,586 3.725,587 3.784,588 3.784,589 2.414,590 2.555,591 4.494,592 3.181,593 804.772,594 7.783,595 9370.14,597 1,600 254.084,601 1.053,602 4.479,603 0.18,605 0.04,606 0.056,607 0.031,608 0.017,609 0.015,610 0.001,611 0.004,612 0.006,613 0.35,614 0.33,615 1,616 0.393,617 106.495,618 -0.113,619 -0.247,620 0.263,621 -0.256,622 -0.148,623 -0.054,624 0.036,625 -0.09,626 -0.037,627 -0.074,628 0.159,629 -0.077,630 -0.041,631 0.233,632 -0.013,633 0.227,634 -0.091,635 -0.004,636 0.102,637 -0.203,638 -0.021,639 -0.135,640 0.122,641 -0.025,642 -0.349,643 -0.202,644 -0.161,645 -0.142,646 -0.315,647 0.072,648 -0.067,649 0.273,650 -0.206,651 0.158,652 -0.116,653 0.035,654 -0.018,655 0.159,656 -0.182,657 -0.047,658 -0.054,659 -0.157,660 0.098,661 -0.19,662 -0.055,663 -0.215,664 0.059,665 -0.252,666 4.143,667 6.31,668 0.783,669 17.195,670 1.011,671 1.146,672 1.907,673 3.638,674 0.633,675 3.258,676 3.526,677 3.689,678 3.951,679 4.111,680 4.007,681 4.111,682 4.205,683 4.111,684 4.111,685 5.334,686 0.59,687 342.38,688 3.258,689 4.762,690 5.565,691 6.422,692 7.241,693 8.11,694 8.937,695 9.813,696 10.646,697 11.525,698 8.7,700 2,701 2,715 5,720 1,722 6,741 46,743 7,744 1,745 25,747 48,748 14,749 6,750 1,751 5,756 3,757 3,772 6,773 8,777 1,782 1,788 1,789 1,790 1,793 23,794 8,795 2,796 9,797 1,802 4,808 1,809 4,816 1,829 3,858 2,859 3,868 23,876 8,877 2,878 3,881 2,893 8.7,896 1,897 2,898 1,901 11.25,902 7.683,903 5.125,904 2.653,905 1,907 0.901,908 1.139,909 0.977,910 6.164,911 7.381,912 3.401,913 3.818,914 4.107,915 4.539,916 4.879,917 4.703,918 4.914,919 5.165,920 5.03,921 5.189,922 1,923 30,924 8.721,926 3.782,927 0.026,929 7.716,931 16.617,933 13.552,936 2.216,937 50.972,941 258.106,942 79.417,943 32.439,945 49.185,947 10.913,948 79.417,949 296.378,950 32.439,952 26.792,953 73.816,954 53.176,955 18.169,957 247.193,959 247.193,960 111.856,961 49.185,962 10.913,964 247.193,965 27.185,966 22,968 59.231,969 52.625,970 10.913,972 247.193,973 81.623,974 79.417,975 10.913,976 10.913,977 247.193,978 32.036,979 53.385,980 26.435,981 49.185,982 247.193,983 81.623,984 90.33,986 0.562,987 0.305,988 0.173,989 0.096,990 15,991 5,992 0.125,993 6,995 1,996 3.58,997 177.965,999 18,1000 78.042,1005 17.019,1006 8.33,1007 5.346,1009 81.623,1010 9.165,1015 0.553,1017 26.435,1018 419.147,1019 29,1024 13.31,1030 -3.337,1031 46.527,1032 52.707,1034 0.318,1035 0.562,1036 0.644,1037 0.674,1038 0.685,1039 0.685,1040 4.63,1041 1,1042 5.533,1043 2.96,1044 4.205,1045 4.5,1046 1.526,1047 6.304,1048 4.101,1049 5.76,1050 1,1051 7.055,1052 2.136,1053 3.761,1054 4.227,1056 7.459,1057 3.677,1058 7.042,1059 1,1060 8.7,1061 2.136,1062 5.802,1063 6.467,1064 1.191,1065 10.459,1066 5.642,1067 8.362,1069 10.428,1070 2.136,1071 6.236,1072 7.041,1074 12.52,1075 6.122,1076 9.728,1078 12.215,1080 7.748,1081 8.8,1082 0.969,1083 15.137,1084 7.575,1085 11.126,1086 -0.35,1087 14.045,1089 8.598,1090 9.748,1092 17.501,1093 8.465,1094 12.548,1095 -1,1096 15.905,1097 -0.854,1098 9.902,1099 11.312,1100 0.788,1101 20.028,1102 9.734,1103 3.331,1104 -1,1105 17.787,1106 -2.347,1107 10.947,1108 12.439,1110 22.486,1111 10.802,1112 2.473,1113 12.154,1114 19.686,1115 -2.347,1116 12.175,1117 13.91,1118 0.634,1119 24.991,1120 12.011,1121 2.473,1122 7.008,1123 21.598,1124 3.908,1125 13.308,1126 15.131,1128 27.477,1129 13.153,1130 2.282,1131 7.008,1132 23.52,1133 3.368,1134 14.513,1135 16.554,1136 0.504,1137 29.976,1138 14.346,1139 1.463,1140 6.355,1141 25.448,1142 2.473,1143 15.685,1144 17.829,1146 32.47,1147 15.517,1148 1.463,1149 3.113,1150 27.382,1151 2.387,1152 16.884,1153 19.224,1154 0.395,1155 34.968,1156 16.707,1157 1.376,1158 3.113,1159 29.321,1160 2.032,1161 18.073,1162 20.531,1164 37.465,1165 17.89,1166 5253,1167 8693,1168 17.159,1169 29.137,1170 35.865,1171 36.518,1172 36.861,1173 35.731,1174 35.719,1175 41.089,1176 5.04,1177 96.234,1178 33.702,1179 5.562,1180 5.401,1181 6.844,1182 5.423,1183 5.331,1184 6.908,1185 1.72,1186 18.788,1187 5.293,1188 5.36,1189 1.435,1190 1.461,1191 1.474,1192 1.429,1193 1.429,1194 1.644,1195 0.202,1196 3.849,1197 1.348,1198 3.942,1199 3.982,1200 4.461,1201 3.948,1202 7.391,1203 3.831,1204 3.811,1205 3.861,1206 3.774,1207 3.745,1208 4.834,1209 3.629,1210 3.744,1211 3.808,1212 3.622,1213 3.504,1214 4.647,1215 3.522,1216 3.51,1217 3.541,1218 3.596,1219 3.465,1220 4.619,1221 3.331,1222 3.111,1223 3.206,1224 2.866,1225 2.941,1226 4.275,1227 2.91,1228 3.111,1229 3.206,1230 2.866,1231 2.941,1232 3.983,1233 2.91,1234 2.901,1235 2.993,1236 2.763,1237 2.735,1238 3.953,1239 2.715,1240 2.871,1241 2.925,1242 2.759,1243 2.696,1244 3.674,1245 2.693,1246 0.182,1247 0.136,1248 0.282,1249 0.173,1250 0.133,1251 4.562,1252 0.156,1253 3.401,1254 0.034,1255 7.042,1256 0.486,1257 4.32,1258 0.132,1259 3.331,1260 3.908,1261 0.86,1262 12.154,1263 3.293,1264 1.879,1265 1.854,1266 1.993,1267 1.995,1268 1.201,1269 2.012,1270 1.728,1271 1.666,1272 1.912,1273 1.947,1274 1.18,1275 1.953,1276 1.674,1277 1.612,1278 1.902,1279 1.941,1280 1.044,1281 1.931,1282 1.386,1283 1.354,1284 1.513,1285 1.505,1286 0.825,1287 1.606,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.825,1293 1.429,1294 1.153,1295 1.064,1296 1.22,1297 1.376,1298 0.675,1299 1.429,1300 0.886,1301 0.821,1302 1.181,1303 1.184,1304 0.247,1305 1.155,1306 0.821,1307 0.771,1308 1.1,1309 1.068,1310 0.218,1311 1.107,1312 3.932,1314 5.209,1316 6.686,1318 8.245,1320 9.843,1328 5.067,1329 6.042,1330 16.422,1333 3.751,1340 27.137,1341 80.739,1342 142.865,1343 163.719,1344 171.329,1345 174.084,1346 174.084,1347 40.052,1348 6.48,1349 75.3,1350 85.11,1351 18,1352 12.072,1353 3,1354 2.322,1355 36.431,1356 67,1357 71,1358 0.244,1359 171.192,1360 293.85,1361 409.468,1362 4564,1364 15.96,1365 0.694,1366 0.605,1367 16.21,1368 13.913,1369 11.235,1370 0.449,1371 0.377,1372 7.734,1373 9.781,1374 7.517,1375 6.139,1376 12.015,1377 9.419,1378 9.935,1379 0.301,1380 0.213,1381 11.147,1382 7.04,1383 7.519,1384 0.193,1385 0.131,1386 8.691,1387 5.106,1388 6.515,1389 0.128,1390 0.08,1391 7.991,1392 4.082,1393 5.068,1394 0.084,1395 0.047,1396 6.377,1397 2.816,1398 0.371,1399 79.681,1400 0.241,1401 22.411,1402 0.709,1403 116,1404 390.511,1405 172.175,1406 365.844,1407 491.88,1408 344,1409 130,1410 327.044,1411 199.488,1412 349.828,1413 513.28,1414 328,1415 4.328}
{0 CHEMBL12781,1 1.457,2 19.111,3 7.133,4 50.883,5 157.525,6 7.234,7 0.564,8 4.337,9 4.451,10 3.952,11 3.949,12 5.324,13 3.864,14 4.881,15 5.066,16 4.237,17 4.326,18 5.771,19 4.211,20 5.03,21 5.198,22 4.282,23 4.439,24 5.915,25 4.28,26 5.228,27 5.504,28 4.236,29 4.468,30 5.949,31 4.247,32 5.012,33 5.219,34 4.05,35 4.329,36 5.851,37 4.159,38 5.015,39 5.268,40 3.98,41 4.288,42 5.759,43 4.091,44 4.856,45 5.077,46 4.076,47 4.228,48 5.668,49 4.041,50 4.931,51 5.182,52 3.928,53 4.235,54 5.656,55 4.004,56 0.063,57 0.971,58 17.17,59 7.59,60 12.381,61 9.748,62 0.267,63 1.662,64 37.575,65 13.368,66 23.629,67 16.257,68 0.445,69 1.79,70 38.889,71 15.569,72 34.611,73 19.464,74 0.274,75 2.174,76 53.981,77 20.644,78 38.018,79 25.92,80 0.393,81 1.721,82 41.669,83 15.644,84 38.296,85 18.932,86 0.228,87 1.772,88 40.604,89 15.616,90 29.577,91 20.632,92 0.191,93 1.503,94 33.637,95 13.862,96 26.526,97 17.374,98 0.292,99 1.685,100 48.319,101 16.88,102 28.025,103 19.395,104 25,105 52,106 0.227,107 0.459,108 0.593,109 0.66,110 0.668,111 0.668,112 3.614,113 1.118,114 -4.91,115 -4.82,116 -4.52,121 41.7,126 4,127 6,144 12,145 4,154 4,176 15,180 4,187 18,191 2,192 4,200 20,206 2,214 16,219 2,227 12,232 6,239 12,244 4,251 13,256 4,264 10,269 6,277 6,281 2980,282 24.256,283 24.256,284 24.256,285 24.256,286 24.256,287 21.684,288 28.259,289 14.648,290 24.834,291 19.32,292 19.32,293 19.32,294 19.32,295 19.32,296 15.405,297 35.632,298 7.054,299 20.192,300 4.713,301 3.223,302 2.362,303 1.931,304 1.875,305 1.875,306 4.31,312 1,313 1466,314 4.243,317 260.297,318 285.086,325 3.444,326 15.152,329 0.75,330 0.67,331 0.67,332 0.9,333 0.5,334 0.67,335 0.5,336 0.66,337 75,338 688,339 4.267,340 4.289,341 6.15,342 3.89,343 2.891,344 3.923,345 3.52,346 9.08,347 2.886,348 4.124,349 4.289,350 5.676,351 3.751,352 2.765,353 3.735,354 3.52,355 7.972,356 2.729,357 4.124,358 3.059,359 5.676,360 3.75,361 2.763,362 3.735,363 0.916,364 7.972,365 2.728,366 3.895,367 3.045,368 5.364,369 3.503,370 2.52,371 3.444,372 0.916,373 7.035,374 2.478,375 3.633,376 2.905,377 5.288,378 3.309,379 2.341,380 2.975,381 0.57,382 6.795,383 2.272,384 3.367,385 2.829,386 5.027,387 3.171,388 2.233,389 2.506,390 0.57,391 6.076,392 2.095,393 3.363,394 2.744,395 5.026,396 3.164,397 2.218,398 2.502,399 0.172,400 6.072,401 2.093,402 2.956,403 2.42,404 4.359,405 2.685,406 1.753,407 2.108,408 0.172,409 4.347,410 1.626,411 2.904,412 2.36,413 4.336,414 2.675,415 1.736,416 1.945,418 4.332,419 1.622,420 2.882,421 2.115,422 4.328,423 2.498,424 1.521,425 1.938,427 4.158,428 1.481,429 2.5,430 2.008,431 3.441,432 2,433 1.12,434 1.5,436 2.497,437 1,438 2.5,439 1.703,440 3.414,441 2,442 1.032,443 1.5,445 2.371,446 1,447 2.297,448 1.636,449 3.414,450 1.947,451 1,452 1.263,454 2.275,455 0.902,456 2.268,457 1.369,458 3.398,459 1.883,460 1,461 1.213,463 2.275,464 0.855,465 2.154,466 1,467 3.266,468 1.702,469 0.719,470 1.026,472 1.715,473 0.702,474 18.133,475 0.504,476 0.817,477 0.023,478 42,479 1.167,480 20,481 0.556,482 22,483 0.611,484 35.858,485 0.996,486 38.867,487 0.54,488 29.629,489 0.823,490 7.773,491 0.216,492 9.667,493 0.269,494 0.11,496 0.265,501 0.892,502 1.242,503 0.805,504 1.002,505 0.93,506 1.002,507 1.387,508 0.91,509 1.268,510 1.054,511 0.93,512 0.886,513 1.421,514 1.134,515 1.069,516 1.115,517 1.568,518 1.239,519 0.588,520 0.907,521 0.934,522 0.952,523 0.615,524 0.87,525 1.888,526 0.952,527 1.255,528 1.034,529 1.802,530 1.057,531 0.566,532 1.037,533 0.945,534 1.056,535 0.729,536 1.047,537 0.934,538 0.965,539 0.89,540 0.937,541 0.9,542 0.992,543 0.971,544 0.975,545 1.651,546 1.324,547 0.931,548 0.977,549 8,550 0.198,551 2.667,552 1.889,553 0.934,554 1.244,555 0.526,556 0.281,557 0.247,558 0.264,559 25873,560 58641,561 2.073,562 50,564 36,572 1.764,573 1.964,574 4.18,575 -0.827,582 104.911,583 1.457,584 2.947,585 3.808,586 4.239,587 4.295,588 4.295,589 3.614,590 3.837,591 5.135,592 4.41,593 2778.12,594 8.97,595 51794.2,600 444.235,601 1.3,602 5.112,603 0.205,604 0.006,605 0.051,606 0.041,607 0.021,608 0.031,609 0.015,610 0.008,611 0.007,612 0.009,613 0.394,614 0.17,615 0.75,616 0.959,617 206.882,618 0.05,619 -0.138,620 0.091,621 -0.013,623 -0.001,624 -0.128,625 0.228,626 -0.085,627 0.038,628 0.061,629 0.098,630 -0.032,631 -0.13,632 -0.124,633 -0.129,634 -0.3,635 -0.256,636 0.104,637 0.058,638 0.155,639 0.105,640 0.215,641 0.146,642 -0.309,643 0.034,644 -0.195,645 -0.006,646 -0.393,647 -0.078,648 0.056,649 -0.068,651 -0.073,652 0.05,653 -0.043,654 -0.008,655 0.01,656 0.113,657 0.088,658 0.089,659 0.017,660 -0.091,661 0.079,662 -0.161,663 -0.029,664 -0.03,665 0.074,666 0.658,667 2.409,668 0.611,669 62.42,670 0.987,671 1.115,672 3.685,673 13.577,674 0.683,675 3.689,676 3.97,677 4.143,678 4.369,679 4.466,680 4.533,681 4.615,682 4.595,683 4.745,684 4.89,685 11.012,686 0.622,687 520.82,688 3.689,689 5.209,690 6.019,691 6.866,692 7.688,693 8.538,694 9.367,695 10.216,696 11.049,697 11.897,698 2.8,701 2,715 12,718 2,720 8,722 22,741 72,743 22,744 2,745 39,747 75,748 30,749 20,750 4,751 8,756 4,757 4,772 20,773 10,792 2,793 36,794 4,796 6,797 2,802 2,808 1,809 2,828 2,829 2,855 2,859 4,860 2,862 2,864 4,868 36,876 6,879 2,881 2,893 2.8,898 2,901 18.333,902 14.067,903 7.944,904 3.979,907 3.812,908 1.469,909 0.972,910 10.108,911 11.935,912 3.932,913 4.483,914 4.985,915 5.525,916 5.863,917 6.039,918 6.365,919 6.588,920 6.985,921 7.366,922 0.923,923 46,924 13.307,926 5.38,927 0.026,929 7.417,931 26.37,933 21.19,936 1.917,937 69,941 423.76,942 254.087,943 6.249,945 19.015,947 64.439,948 189.648,949 442.774,950 6.249,951 33.586,952 7.81,953 113.715,955 38.006,956 21.795,957 488.199,959 423.76,960 195.897,961 19.015,962 64.439,964 423.76,965 19.015,968 14.059,969 181.838,971 64.439,972 423.76,973 25.263,974 254.087,977 423.76,978 106.787,979 153.549,981 19.015,982 423.76,983 25.263,984 254.087,986 0.572,987 0.304,988 0.164,989 0.083,990 22,991 10,992 0.173,993 13,995 1,996 5.04,997 305.367,999 22,1000 138.117,1001 2,1005 26.995,1006 13.48,1007 8.79,1009 25.263,1010 26.193,1013 11.818,1015 9.326,1018 703.11,1019 50,1031 71.032,1032 80.314,1034 0.236,1035 0.478,1036 0.617,1037 0.687,1038 0.696,1039 0.696,1040 5.145,1041 1.753,1042 5.974,1043 6.072,1044 4.654,1045 5.17,1046 4.005,1047 6.686,1048 4.584,1049 6.318,1050 1.736,1051 7.467,1052 4.347,1053 4.111,1054 4.796,1055 0.57,1056 7.345,1057 4.056,1058 7.586,1059 1.521,1060 9.047,1061 4.332,1062 6.159,1063 7.27,1064 6.425,1065 10.358,1066 6.056,1067 8.887,1068 1.12,1069 10.679,1070 4.158,1071 6.399,1072 7.722,1073 0.674,1074 11.825,1075 6.32,1076 10.218,1077 1.032,1078 12.343,1079 2.497,1080 7.895,1081 9.632,1082 8.937,1083 14.309,1084 7.778,1085 11.569,1086 1,1087 14.029,1088 2.371,1089 8.509,1090 10.482,1091 0.66,1092 16.137,1093 8.413,1094 12.935,1095 1,1096 15.732,1097 2.275,1098 9.761,1099 12.127,1100 11.454,1101 18.421,1102 9.638,1103 2.891,1104 0.719,1105 17.448,1106 2.275,1107 10.569,1108 13.188,1109 0.611,1110 20.423,1111 10.462,1112 2.765,1113 9.08,1114 19.174,1115 1.715,1116 11.704,1117 14.696,1118 13.971,1119 22.63,1120 11.578,1121 2.763,1122 7.972,1123 20.909,1124 3.923,1125 12.616,1126 15.875,1127 0.55,1128 24.719,1129 12.501,1130 2.52,1131 7.972,1132 22.651,1133 3.735,1134 13.695,1135 17.309,1136 16.487,1137 26.901,1138 13.568,1139 2.341,1140 7.035,1141 24.399,1142 3.735,1143 14.664,1144 18.554,1145 0.487,1146 29.034,1147 14.541,1148 2.233,1149 6.795,1150 26.153,1151 3.444,1152 15.717,1153 19.947,1154 19.004,1155 31.21,1156 15.587,1157 2.218,1158 6.076,1159 27.912,1160 2.975,1161 16.717,1162 21.232,1163 0.427,1164 33.368,1165 16.588,1166 24669,1167 37296,1168 26.235,1169 49.16,1170 57.841,1171 63.703,1172 57.756,1173 56.928,1174 56.899,1175 72.929,1176 20.714,1177 153.958,1178 54.538,1179 5.143,1180 6.289,1181 5.704,1182 4.999,1183 4.891,1184 6.923,1185 7.04,1186 15.168,1187 4.886,1188 18.01,1189 1.483,1190 1.633,1191 1.481,1192 1.46,1193 1.459,1194 1.87,1195 0.531,1196 3.948,1197 1.398,1198 4.033,1199 4.054,1200 4.059,1201 3.991,1202 5.046,1203 3.978,1204 3.937,1205 3.954,1206 3.984,1207 3.812,1208 5.025,1209 3.816,1210 3.932,1211 3.944,1212 3.895,1213 3.804,1214 4.82,1215 3.808,1216 3.785,1217 3.814,1218 3.784,1219 3.727,1220 4.585,1221 3.721,1222 3.55,1223 3.635,1224 3.657,1225 3.388,1226 4.277,1227 3.34,1228 3.541,1229 3.628,1230 3.519,1231 3.338,1232 4.266,1233 3.32,1234 3.314,1235 3.35,1236 3.358,1237 3.252,1238 3.906,1239 3.21,1240 3.195,1241 3.242,1242 3.336,1243 3.167,1244 3.763,1245 3.075,1246 0.109,1247 0.11,1248 0.158,1249 0.1,1250 0.074,1251 4.267,1252 0.101,1253 4.289,1254 0.09,1255 6.15,1256 0.233,1257 3.89,1258 0.074,1259 2.891,1260 3.923,1261 3.52,1262 9.08,1263 2.886,1264 2.003,1265 1.984,1266 2.095,1267 2.058,1268 1.253,1269 2.075,1270 1.806,1271 1.782,1272 1.918,1273 1.883,1274 1.127,1275 1.903,1276 1.647,1277 1.59,1278 1.869,1279 1.882,1280 1.034,1281 1.882,1282 1.646,1283 1.589,1284 1.867,1285 1.873,1286 1.032,1287 1.88,1288 1.56,1289 1.538,1290 1.694,1291 1.683,1292 0.962,1293 1.707,1294 1.539,1295 1.515,1296 1.687,1297 1.671,1298 0.899,1299 1.688,1300 1.321,1301 1.262,1302 1.543,1303 1.531,1304 0.708,1305 1.543,1306 1.302,1307 1.239,1308 1.535,1309 1.53,1310 0.666,1311 1.539,1312 4.369,1314 5.659,1315 3.045,1316 7.106,1317 5.283,1318 8.625,1319 7.248,1320 10.185,1322 8.221,1328 5.431,1331 3.773,1333 4.238,1340 44.802,1341 104.911,1342 212.156,1343 274.196,1344 305.215,1345 309.215,1346 309.215,1347 55.92,1348 8.123,1349 32.76,1350 83.36,1351 22,1352 12.459,1353 4.524,1354 3.585,1355 62.922,1356 238,1357 216,1358 0.124,1359 283.536,1360 484.72,1361 683.588,1362 50113,1364 25.33,1365 0.704,1366 0.648,1367 26.037,1368 23.331,1369 17.441,1370 0.447,1371 0.373,1372 12.294,1373 16.016,1374 11.511,1375 9.683,1376 18.441,1377 14.537,1378 15.773,1379 0.303,1380 0.222,1381 16.704,1382 11.562,1383 11.808,1384 0.19,1385 0.124,1386 13.033,1387 7.698,1388 9.93,1389 0.127,1390 0.073,1391 11.176,1392 5.692,1393 7.132,1394 0.083,1395 0.044,1396 8.272,1397 3.791,1398 0.209,1399 117.84,1400 0.195,1401 34.75,1402 0.303,1403 182,1404 454.482,1405 231.129,1406 484.482,1407 658.94,1408 458,1409 205,1410 450.105,1411 251.596,1412 485.005,1413 695.88,1414 446,1415 6.745}
{0 CHEMBL127857,1 1.431,2 24.596,3 7.246,4 52.505,5 185.09,6 6.707,7 0.353,8 4.633,9 4.753,10 4.107,11 4.128,12 5.619,13 4.095,14 5.222,15 5.41,16 4.415,17 4.512,18 6.183,19 4.448,20 5.499,21 5.732,22 4.458,23 4.66,24 6.371,25 4.557,26 5.546,27 5.803,28 4.394,29 4.635,30 6.446,31 4.508,32 5.493,33 5.75,34 4.287,35 4.585,36 6.353,37 4.45,38 5.457,39 5.72,40 4.225,41 4.532,42 6.288,43 4.389,44 5.398,45 5.656,46 4.154,47 4.473,48 6.216,49 4.332,50 5.351,51 5.606,52 4.128,53 4.435,54 6.175,55 4.297,56 0.04,57 1.314,58 22.339,59 9.499,60 9.984,61 12.806,62 0.558,63 2.128,64 42.697,65 15.246,66 49.086,67 21.368,68 0.608,69 2.582,70 57.212,71 20.233,72 59.765,73 28.546,74 0.846,75 2.607,76 60.595,77 20.997,78 89.463,79 30.134,80 0.665,81 2.478,82 57.301,83 19.977,84 77.548,85 28.603,86 0.678,87 2.376,88 55.36,89 19.205,90 75.221,91 27.683,92 0.675,93 2.251,94 52.336,95 17.872,96 66.657,97 25.643,98 0.596,99 2.149,100 49.787,101 17.177,102 60.018,103 24.618,104 10,105 66,106 0.211,107 0.471,108 0.674,109 0.812,110 0.868,111 0.885,112 3.873,113 1.01,114 -4.11,115 -4.06,116 -3.84,121 39.6,123 8,126 1,127 9,144 11,145 3,146 4,159 1,161 1,176 16,179 1,180 14,183 2,185 1,187 17,191 1,192 11,197 1,200 11,205 3,206 14,211 3,214 12,218 1,219 8,224 3,227 11,231 1,232 11,237 2,239 9,243 1,244 10,247 1,249 1,251 6,255 1,256 8,261 1,264 9,268 1,269 6,274 1,277 12,281 6714,282 32.379,283 32.379,284 32.379,285 32.379,286 32.379,287 29.997,288 39.005,289 20.179,290 33.159,291 25.298,292 25.298,293 25.298,294 25.298,295 25.298,296 21.577,297 50.576,298 9.774,299 26.501,300 5.154,301 3.388,302 2.007,303 1.065,304 0.69,305 0.57,306 4.58,312 1,313 2511,314 5.148,318 833.611,322 483.519,325 4.388,326 42.26,329 0.75,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.71,337 101.5,338 1156,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 2.186,346 11.061,347 3.18,348 4.105,349 3.665,350 6.011,351 3.724,352 2.762,353 3.688,354 0.916,355 8.529,356 2.661,357 4.048,358 3,359 5.683,360 3.613,361 2.643,362 3.676,363 0.86,364 8.002,365 2.563,366 3.684,367 2.98,368 5.408,369 3.439,370 2.522,371 2.964,372 0.86,373 6.965,374 2.31,375 3.617,376 2.885,377 5.34,378 3.393,379 2.462,380 2.895,381 0.86,382 6.915,383 2.276,384 3.522,385 2.82,386 5.298,387 3.233,388 2.272,389 2.527,390 0.8,391 6.849,392 2.172,393 3.387,394 2.634,395 5.125,396 3.139,397 2.186,398 2.522,399 0.366,400 6.041,401 2.067,402 3.307,403 2.491,404 4.886,405 2.947,406 2.009,407 2.503,408 0.172,409 5.694,410 1.89,411 3.086,412 2.176,413 4.611,414 2.897,415 1.908,416 2.171,418 4.93,419 1.859,420 2.904,421 2.167,422 4.125,423 2.782,424 1.812,425 2.08,427 3.809,428 1.747,429 2.901,430 1.927,431 3.912,432 2.613,433 1.64,434 1.902,436 3.384,437 1.597,438 2.715,439 1.71,440 3.72,441 2.437,442 1.46,443 1.811,445 3.363,446 1.426,447 2.677,448 1.707,449 3.716,450 2.369,451 1.45,452 1.737,454 3.094,455 1.321,456 2.653,457 1.571,458 3.583,459 2.317,460 1.361,461 1.66,463 3.028,464 1.29,465 2.478,466 1.37,467 3.552,468 2.242,469 1.255,470 1.468,472 2.926,473 1.235,474 22.2,475 0.472,476 0.797,477 0.017,478 52.5,479 1.117,480 22.5,481 0.479,482 30,483 0.638,484 49.827,485 1.06,486 53.4,487 0.556,488 43.004,489 0.915,490 10.051,491 0.214,492 12.996,493 0.277,494 0.053,496 0.239,501 0.799,502 1.44,503 0.878,504 1.272,505 0.583,506 1.111,507 1.027,508 1.093,509 1.028,510 1.061,511 0.596,512 1.034,513 1.077,514 1.019,515 0.984,516 1.012,517 0.788,518 0.986,519 0.903,520 0.961,521 0.917,522 0.96,523 0.933,524 0.943,525 1.021,526 0.971,527 0.985,528 0.97,529 1.194,530 0.973,531 0.951,532 0.992,533 0.966,534 0.978,535 0.868,536 0.976,537 1.08,538 0.961,539 1.052,540 0.983,541 0.994,542 1.008,543 1.068,544 1.019,545 1.037,546 1.012,547 1.005,548 1.02,549 7,550 0.223,551 3.111,552 2.563,553 2.004,554 0.903,555 0.705,556 0.389,557 0.332,558 0.209,559 59291,560 133608,561 2.104,562 51,563 10,564 32,567 1,569 4,570 2,572 1.828,573 2.029,574 4.513,575 -0.442,582 137.35,583 1.431,584 3.197,585 4.578,586 5.52,587 5.895,588 6.015,589 4.004,590 5.326,591 5.522,592 4.773,593 5160.07,594 9.743,595 123833,600 632.156,601 1.102,602 5.513,603 0.137,604 0.005,605 0.047,606 0.038,607 0.033,608 0.016,609 0.014,610 0.008,611 0.007,612 0.005,613 0.311,614 0.33,615 0.63,616 0.372,617 294.726,619 -0.187,620 0.069,621 -0.097,622 0.013,623 -0.018,624 0.026,625 0.051,626 -0.031,627 -0.02,628 0.109,629 -0.028,630 -0.051,631 0.001,632 0.009,633 -0.007,634 0.029,635 0.009,636 0.082,637 0.01,638 0.073,639 0.02,640 0.118,641 0.043,642 -0.049,643 0.001,644 0.003,645 0.012,646 -0.053,647 0.014,648 -0.004,649 -0.031,650 0.019,651 -0.001,652 0.013,653 0.011,654 -0.065,655 0.018,656 -0.057,657 -0.013,658 -0.07,659 -0.032,660 -0.063,661 -0.044,662 -0.045,663 -0.032,664 -0.061,665 -0.037,666 2.072,667 5.758,668 0.553,669 99.622,670 0.996,671 1.128,672 2.881,673 8.3,674 0.638,675 3.951,676 4.205,677 4.419,678 4.654,679 4.86,680 4.898,681 4.99,682 5.1,683 5.147,684 5.106,685 14.137,686 0.599,687 643.9,688 3.951,689 5.46,690 6.275,691 7.117,692 7.95,693 8.804,694 9.648,695 10.511,696 11.364,697 12.234,698 3.1,701 2,705 1,715 11,720 7,722 18,727 1,737 1,739 2,741 96,743 20,744 3,745 51,747 100,748 38,749 18,750 7,751 11,752 1,756 5,757 8,770 8,772 20,773 18,777 2,782 2,786 2,793 49,794 9,795 1,796 9,802 3,808 0.6,809 6,829 5,833 2,855 2,858 1,859 3,864 1,868 47,876 17,877 1,878 4,881 2,893 6.3,896 2,897 1,898 3,901 23.167,902 17.067,903 10.611,904 6.304,907 3.597,908 1.406,909 0.957,910 14.111,911 12.461,912 4.143,913 4.61,914 5.083,915 5.6,916 6.097,917 6.295,918 6.618,919 6.968,920 7.235,921 7.414,922 1,923 67,924 17.513,926 7.27,927 0.026,929 7.606,931 34.278,933 27.868,936 2.106,937 99,941 565.013,942 201.749,943 24.259,945 94.289,948 201.749,949 659.302,950 24.259,951 8.396,952 64.698,953 104.239,954 66.423,955 69.779,956 6.763,957 565.013,959 565.013,960 226.009,961 94.289,964 494.386,965 153.916,966 11,968 70.947,969 155.062,972 565.013,973 118.549,974 201.749,977 565.013,978 89.114,979 118.884,980 18.011,981 94.289,982 565.013,983 118.549,984 201.749,986 0.56,987 0.313,988 0.171,989 0.092,990 26,991 11,992 0.19,993 19,994 2,995 1.154,996 6.1,997 432.532,998 0.154,999 26,1000 257.066,1005 35.058,1006 18.917,1007 11.442,1009 118.549,1010 20.31,1015 4.51,1017 18.011,1018 885.311,1019 62,1024 25.089,1028 -0.44,1031 95.592,1032 108.301,1034 0.217,1035 0.486,1036 0.695,1037 0.838,1038 0.895,1039 0.913,1040 5.359,1041 2.009,1042 6.205,1043 6.041,1044 4.89,1045 5.298,1046 2.8,1047 6.927,1048 4.805,1049 6.489,1050 1.908,1051 7.698,1052 5.694,1053 4.205,1054 4.879,1055 1.905,1056 7.633,1057 4.083,1058 7.744,1059 1.812,1060 9.293,1061 4.93,1062 6.385,1063 7.32,1064 3.624,1065 10.761,1066 6.227,1067 9.033,1068 1.64,1069 10.956,1070 3.809,1071 6.567,1072 7.779,1073 3.612,1074 12.388,1075 6.392,1076 10.361,1077 1.46,1078 12.664,1079 3.384,1080 8.152,1081 9.678,1082 4.93,1083 15.022,1084 7.945,1085 11.717,1086 1.45,1087 14.407,1088 3.363,1089 8.788,1090 10.573,1091 5.292,1092 17.064,1093 8.583,1094 13.096,1095 1.361,1096 16.176,1097 3.094,1098 10.105,1099 12.231,1100 6.391,1101 19.538,1102 9.877,1103 3.215,1104 1.255,1105 17.967,1106 3.028,1107 10.988,1108 13.356,1109 6.931,1110 21.773,1111 10.768,1112 2.762,1113 11.061,1114 19.775,1115 2.926,1116 12.189,1117 14.895,1118 7.902,1119 24.195,1120 11.955,1121 2.643,1122 8.529,1123 21.597,1124 4.198,1125 13.202,1126 16.147,1127 8.539,1128 26.52,1129 12.977,1130 2.522,1131 8.002,1132 23.432,1133 3.688,1134 14.359,1135 17.624,1136 9.436,1137 28.926,1138 14.127,1139 2.462,1140 6.965,1141 25.279,1142 3.676,1143 15.44,1144 18.947,1145 10.13,1146 31.291,1147 15.212,1148 2.272,1149 6.915,1150 27.134,1151 2.964,1152 16.585,1153 20.393,1154 10.981,1155 33.693,1156 16.353,1157 2.186,1158 6.849,1159 28.998,1160 2.895,1161 17.702,1162 21.758,1163 11.71,1164 36.078,1165 17.471,1166 55200,1167 83435,1168 34.959,1169 61.256,1170 73.229,1171 75.886,1172 74.293,1173 73.016,1174 72.939,1175 88.106,1176 14.043,1177 193.278,1178 69.845,1179 5.553,1180 5.692,1181 6.699,1182 5.306,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.18,1188 17.342,1189 1.436,1190 1.488,1191 1.457,1192 1.432,1193 1.43,1194 1.728,1195 0.275,1196 3.79,1197 1.37,1198 4.054,1199 4.065,1200 4.017,1201 3.968,1202 7.435,1203 3.977,1204 3.944,1205 3.973,1206 3.88,1207 3.858,1208 7.427,1209 3.858,1210 3.848,1211 3.909,1212 3.716,1213 3.711,1214 4.948,1215 3.708,1216 3.781,1217 3.82,1218 3.715,1219 3.698,1220 4.814,1221 3.687,1222 3.754,1223 3.806,1224 3.61,1225 3.574,1226 4.708,1227 3.575,1228 3.662,1229 3.724,1230 3.533,1231 3.485,1232 4.627,1233 3.484,1234 3.61,1235 3.676,1236 3.467,1237 3.433,1238 4.385,1239 3.427,1240 3.438,1241 3.494,1242 3.306,1243 3.209,1244 4.303,1245 3.222,1246 0.089,1247 0.072,1248 0.133,1249 0.082,1250 0.063,1251 4.553,1252 0.082,1253 3.692,1254 0.043,1255 6.774,1256 0.217,1257 4.203,1258 0.062,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.062,1267 2.084,1268 1.423,1269 2.073,1270 1.911,1271 1.885,1272 2.058,1273 2.025,1274 1.294,1275 2.03,1276 1.821,1277 1.759,1278 2.031,1279 2.01,1280 1.254,1281 2.022,1282 1.775,1283 1.751,1284 1.967,1285 1.941,1286 1.17,1287 1.958,1288 1.733,1289 1.669,1290 1.911,1291 1.889,1292 1.164,1293 1.897,1294 1.639,1295 1.573,1296 1.861,1297 1.826,1298 1.112,1299 1.838,1300 1.596,1301 1.53,1302 1.854,1303 1.8,1304 0.974,1305 1.823,1306 1.387,1307 1.32,1308 1.675,1309 1.64,1310 0.97,1311 1.649,1312 4.635,1314 5.905,1316 7.365,1318 8.922,1320 10.54,1322 2.057,1328 17.025,1329 2.884,1330 22.856,1333 4.708,1340 57.469,1341 137.35,1342 306.935,1343 439.499,1344 529.918,1345 565.892,1346 577.402,1347 102.797,1348 8.864,1349 93.48,1350 93.48,1351 30,1352 12.782,1353 4.392,1354 3.585,1355 83.073,1356 398,1357 424,1358 0.094,1359 350.471,1360 628.16,1361 846.91,1362 149129,1364 32.685,1365 0.695,1366 0.59,1367 32.685,1368 27.716,1369 23.047,1370 0.452,1371 0.337,1372 16.923,1373 22.104,1374 16.593,1375 13.755,1376 23.047,1377 17.167,1378 19.681,1379 0.298,1380 0.188,1381 19.681,1382 12.418,1383 15.78,1384 0.192,1385 0.105,1386 15.78,1387 8.588,1388 13.13,1389 0.126,1390 0.058,1391 13.13,1392 5.996,1393 10.333,1394 0.081,1395 0.031,1396 10.333,1397 4.016,1398 0.161,1399 144.74,1400 0.169,1401 43.429,1402 0.225,1403 234,1404 674.036,1405 259.037,1406 629.779,1407 853.61,1408 594,1409 265,1410 613.472,1411 289.711,1412 613.324,1413 896.77,1414 577,1415 7.533}
{0 CHEMBL128043,1 1.445,2 18.474,3 5.997,4 35.964,5 149.586,6 7.148,7 0.439,8 4.351,9 4.461,10 3.879,11 3.883,12 5.434,13 3.859,14 4.889,15 5.058,16 4.198,17 4.24,18 5.969,19 4.193,20 5.14,21 5.343,22 4.243,23 4.36,24 6.131,25 4.289,26 5.188,27 5.414,28 4.215,29 4.32,30 6.226,31 4.241,32 5.12,33 5.331,34 4.148,35 4.296,36 6.154,37 4.215,38 5.121,39 5.341,40 4.113,41 4.271,42 6.156,43 4.182,44 5.054,45 5.262,46 4.009,47 4.23,48 6.06,49 4.133,50 5.015,51 5.233,52 3.942,53 4.204,54 5.943,55 4.087,56 0.011,57 0.957,58 15.251,59 7.009,60 8.382,61 8.962,62 0.38,63 1.538,64 28.753,65 11.204,66 40.262,67 14.851,68 0.353,69 1.85,70 38.773,71 14.553,72 49.324,73 19.247,74 0.701,75 1.888,76 42.215,77 14.696,78 76.611,79 19.91,80 0.48,81 1.79,82 38.669,83 13.896,84 66.287,85 18.475,86 0.537,87 1.758,88 39.172,89 14.125,90 75.488,91 18.835,92 0.564,93 1.673,94 36.379,95 13.064,96 69.972,97 17.15,98 0.369,99 1.628,100 34.409,101 13.128,102 49.102,103 17.747,104 23,105 54,106 0.224,107 0.537,108 0.753,109 0.867,110 0.89,111 0.89,112 3.667,113 0.952,114 -4.92,115 -4.82,116 -4.53,121 43.1,122 1,123 3,126 1,127 4,137 1,140 1,144 12,145 3,146 3,159 1,161 1,176 14,179 1,180 13,183 2,185 1,187 16,192 9,197 1,200 9,205 3,206 13,211 3,214 9,218 1,219 8,224 2,227 9,231 1,232 11,237 1,239 11,243 1,244 7,247 1,251 11,255 1,256 5,264 12,268 1,269 4,274 1,277 11,281 3068,282 25.938,283 25.938,284 25.938,285 25.938,286 25.938,287 23.348,288 30.132,289 15.997,290 26.436,291 20.291,292 20.291,293 20.291,294 20.291,295 20.291,296 16.273,297 39.982,298 7.677,299 21.077,300 4.724,301 2.709,302 1.317,303 0.587,304 0.438,305 0.438,306 4.365,312 1,313 1503,314 4.472,318 526.998,322 201.469,325 2.789,326 35.788,329 0.75,330 0.67,331 0.67,332 0.9,333 0.5,334 0.67,335 0.5,336 0.66,337 82,338 702,339 4.471,340 3.665,341 6.533,342 4.095,343 3.117,344 4.09,345 2.186,346 10.305,347 3.055,348 4.105,349 3.601,350 6.072,351 3.724,352 2.762,353 3.688,354 0.916,355 8.79,356 2.667,357 4.104,358 3.036,359 5.683,360 3.696,361 2.713,362 3.674,363 0.86,364 8.002,365 2.661,366 3.725,367 2.986,368 5.385,369 3.396,370 2.464,371 3.102,372 0.86,373 7.001,374 2.292,375 3.683,376 2.886,377 5.298,378 3.343,379 2.381,380 2.895,381 0.366,382 6.85,383 2.269,384 3.387,385 2.635,386 4.931,387 3.139,388 2.187,389 2.583,390 0.172,391 5.696,392 2.066,393 3.297,394 2.51,395 4.885,396 2.84,397 1.881,398 2.526,400 5.462,401 1.787,402 3.204,403 2.168,404 4.611,405 2.797,406 1.834,407 2.36,409 4.928,410 1.757,411 3.084,412 1.947,413 4.536,414 2.773,415 1.797,416 2.169,418 4.656,419 1.737,420 2.742,421 1.784,422 3.794,423 2.549,424 1.555,425 1.823,427 3.046,428 1.54,429 2.67,430 1.627,431 3.59,432 2.337,433 1.381,434 1.738,436 3.006,437 1.313,438 2.611,439 1.467,440 3.554,441 2.24,442 1.244,443 1.605,445 2.881,446 1.233,447 2.508,448 1.274,449 3.475,450 2.166,451 1.177,452 1.5,454 2.589,455 1.161,456 2.5,457 1.154,458 3.46,459 2,460 1,461 1.457,463 2.366,464 1,465 2.394,466 1.049,467 3.247,468 1.942,469 0.954,470 1.346,472 2.136,473 0.936,474 17.967,475 0.473,476 0.746,477 0.02,478 47.75,479 1.257,480 24,481 0.632,482 23.75,483 0.625,484 33.546,485 0.883,486 41.433,487 0.575,488 39.414,489 1.037,490 9.557,491 0.251,492 8.956,493 0.236,494 0.093,496 0.273,501 0.772,502 1.294,503 0.816,504 1.16,505 0.594,506 1.018,507 0.866,508 1.028,509 0.918,510 1.018,511 0.542,512 0.972,513 1.172,514 1.06,515 0.975,516 1.031,517 0.879,518 0.98,519 1.1,520 0.93,521 0.923,522 0.901,523 0.972,524 0.884,525 1.266,526 0.998,527 1.05,528 0.988,529 1.315,530 0.983,531 1.212,532 0.994,533 1.004,534 0.968,535 1.158,536 0.958,537 1.393,538 0.956,539 1.206,540 0.994,541 1.394,542 1.06,543 0.998,544 1.12,545 1.105,546 1.129,547 0.881,548 1.137,549 7,550 0.186,551 2.889,552 2.25,553 1.751,554 1.139,555 0.69,556 0.441,557 0.32,558 0.184,559 27511,560 69257,561 2.069,562 47.2,563 5,564 24,567 1,569 2,570 2,572 1.78,573 1.966,574 4.129,575 -0.427,582 104.071,583 1.445,584 3.461,585 4.853,586 5.583,587 5.732,588 5.732,589 3.622,590 4.827,591 5.219,592 4.32,593 3036.69,594 9.152,595 56466.5,600 444.235,601 1.267,602 5.192,603 0.171,604 0.006,605 0.053,606 0.041,607 0.034,608 0.023,609 0.015,610 0.01,611 0.008,612 0.005,613 0.366,614 0.17,615 0.75,616 1.309,617 219.012,618 -0.012,619 -0.134,620 0.056,621 -0.073,622 -0.029,623 -0.009,624 0.107,625 0.076,626 0.029,627 -0.007,628 0.138,629 0.002,630 -0.086,631 -0.055,632 0.011,633 -0.034,634 -0.026,635 -0.001,636 0.077,637 0.053,638 0.095,639 0.063,640 0.074,641 0.08,642 -0.103,643 0.003,644 -0.047,645 -0.011,646 -0.103,647 -0.018,648 -0.044,649 -0.026,650 0.006,651 0.012,652 -0.008,653 0.016,654 -0.169,655 0.045,656 -0.199,657 -0.018,658 -0.186,659 -0.101,660 -0.06,661 -0.13,662 -0.134,663 -0.13,664 -0.077,665 -0.145,666 2.092,667 5.562,668 0.579,669 54.222,670 1,671 1.121,672 3.689,673 13.605,674 0.659,675 3.738,676 4.007,677 4.22,678 4.466,679 4.682,680 4.754,681 4.852,682 4.956,683 5.011,684 5.011,685 10.413,686 0.626,687 514.67,688 3.738,689 5.252,690 6.071,691 6.923,692 7.76,693 8.622,694 9.47,695 10.338,696 11.193,697 12.066,698 2.8,701 1,705 1,715 12,720 6,722 18,727 1,737 1,739 2,741 72,743 21,744 3,745 41,747 75,748 31,749 18,750 6,751 12,752 3,756 4,757 5,763 1,770 3,772 22,773 9,777 3,782 2,784 1,786 3,793 34,794 7,795 1,796 7,802 2,808 0.75,809 5,829 4,833 1,849 2,855 1,859 3,864 2,868 38,876 7,877 1,878 3,881 1,893 6.9,896 2,898 3,901 19.333,902 13.367,903 8.583,904 4.553,907 3.549,908 1.432,909 0.962,910 10.104,911 11.769,912 3.989,913 4.505,914 5.006,915 5.542,916 6.054,917 6.243,918 6.559,919 6.883,920 7.161,921 7.363,922 1,923 55,924 14.089,926 5.837,927 0.026,929 7.724,931 26.993,933 21.502,936 2.224,937 84.5,941 388.446,942 201.352,943 21.135,945 83.29,948 201.352,949 471.736,950 21.135,951 17.222,952 36.524,953 123.191,954 60.667,955 61.411,956 6.763,957 388.446,959 388.446,960 222.487,961 83.29,964 341.362,965 130.374,968 48.473,969 159.294,970 14.72,972 388.446,973 104.425,974 201.352,977 388.446,978 60.94,979 143.537,980 18.011,981 83.29,982 388.446,983 104.425,984 201.352,986 0.562,987 0.314,988 0.171,989 0.094,990 22,991 10,992 0.173,993 13,994 1,995 1.091,996 5.051,997 338.447,998 0.091,999 22,1000 195.421,1005 27.589,1006 13.917,1007 8.281,1009 104.425,1010 22.471,1015 4.148,1017 18.011,1018 694.223,1019 53,1024 24.466,1026 1.526,1028 0.031,1031 71.978,1032 80.687,1034 0.234,1035 0.561,1036 0.787,1037 0.905,1038 0.929,1039 0.929,1040 5.201,1041 1.834,1042 6.019,1043 5.462,1044 4.691,1045 5.193,1046 2.639,1047 6.758,1048 4.619,1049 6.368,1050 1.797,1051 7.526,1052 4.928,1053 4.111,1054 4.82,1055 1.847,1056 7.486,1057 4.007,1058 7.641,1059 1.555,1060 9.131,1061 4.656,1062 6.209,1063 7.272,1064 3.582,1065 10.583,1066 6.069,1067 8.947,1068 1.381,1069 10.797,1070 3.046,1071 6.447,1072 7.705,1073 3.603,1074 12.166,1075 6.284,1076 10.286,1077 1.244,1078 12.502,1079 3.006,1080 7.987,1081 9.632,1082 4.922,1083 14.76,1084 7.795,1085 11.647,1086 1.177,1087 14.236,1088 2.881,1089 8.641,1090 10.474,1091 5.291,1092 16.729,1093 8.431,1094 13.027,1095 1,1096 15.991,1097 2.589,1098 9.929,1099 12.152,1100 6.39,1101 19.14,1102 9.697,1103 3.117,1104 0.954,1105 17.764,1106 2.366,1107 10.803,1108 13.221,1109 6.93,1110 21.292,1111 10.556,1112 2.762,1113 10.305,1114 19.549,1115 2.136,1116 11.979,1117 14.766,1118 7.902,1119 23.636,1120 11.713,1121 2.713,1122 8.79,1123 21.347,1124 4.09,1125 12.968,1126 15.965,1127 8.539,1128 25.875,1129 12.686,1130 2.464,1131 8.002,1132 23.153,1133 3.688,1134 14.097,1135 17.438,1136 9.436,1137 28.198,1138 13.799,1139 2.381,1140 7.001,1141 24.968,1142 3.674,1143 15.146,1144 18.714,1145 10.13,1146 30.478,1147 14.832,1148 2.187,1149 6.85,1150 26.79,1151 3.102,1152 16.26,1153 20.147,1154 10.981,1155 32.797,1156 15.93,1157 1.881,1158 5.696,1159 28.619,1160 2.895,1161 17.34,1162 21.469,1163 11.71,1164 35.099,1165 16.994,1166 26308,1167 41974,1168 27.622,1169 47.466,1170 59.718,1171 61.805,1172 60.541,1173 59.165,1174 59.14,1175 75.474,1176 10.723,1177 159.767,1178 57.053,1179 5.407,1180 5.665,1181 6.444,1182 5.197,1183 5.117,1184 7.09,1185 3.889,1186 17.229,1187 5.055,1188 17.673,1189 1.457,1190 1.507,1191 1.477,1192 1.443,1193 1.442,1194 1.841,1195 0.262,1196 3.897,1197 1.392,1198 4.032,1199 4.044,1200 3.992,1201 3.948,1202 7.435,1203 3.955,1204 3.937,1205 3.964,1206 3.877,1207 3.855,1208 7.428,1209 3.855,1210 3.854,1211 3.878,1212 3.79,1213 3.795,1214 4.939,1215 3.791,1216 3.71,1217 3.781,1218 3.575,1219 3.543,1220 4.813,1221 3.531,1222 3.671,1223 3.733,1224 3.536,1225 3.494,1226 4.749,1227 3.495,1228 3.47,1229 3.499,1230 3.396,1231 3.326,1232 4.52,1233 3.337,1234 3.41,1235 3.458,1236 3.297,1237 3.151,1238 4.314,1239 3.177,1240 3.302,1241 3.373,1242 3.138,1243 3.093,1244 4.238,1245 3.099,1246 0.109,1247 0.089,1248 0.159,1249 0.1,1250 0.076,1251 4.471,1252 0.1,1253 3.665,1254 0.053,1255 6.533,1256 0.251,1257 4.095,1258 0.075,1259 3.117,1260 4.09,1261 2.186,1262 10.305,1263 3.055,1264 1.968,1265 1.957,1266 2.054,1267 2.067,1268 1.256,1269 2.059,1270 1.911,1271 1.885,1272 2.032,1273 2.024,1274 1.253,1275 2.027,1276 1.854,1277 1.832,1278 1.972,1279 1.941,1280 1.147,1281 1.952,1282 1.7,1283 1.63,1284 1.963,1285 1.902,1286 1.112,1287 1.925,1288 1.645,1289 1.581,1290 1.878,1291 1.842,1292 1.044,1293 1.857,1294 1.412,1295 1.389,1296 1.638,1297 1.635,1298 0.783,1299 1.629,1300 1.324,1301 1.264,1302 1.607,1303 1.597,1304 0.753,1305 1.598,1306 1.289,1307 1.21,1308 1.519,1309 1.497,1310 0.584,1311 1.511,1312 4.419,1314 5.7,1316 7.171,1318 8.735,1320 10.354,1322 4.116,1328 5.445,1329 2.756,1330 17.35,1333 2.19,1340 45.046,1341 104.071,1342 249.161,1343 349.441,1344 401.97,1345 412.725,1346 412.725,1347 79.015,1348 8.22,1349 81.01,1350 81.01,1351 24,1352 12.611,1353 4.459,1354 3.7,1355 68.245,1356 244,1357 262,1358 0.133,1359 277,1360 496.99,1361 667.641,1362 55405,1364 26.744,1365 0.704,1366 0.577,1367 26.744,1368 21.944,1369 18.512,1370 0.452,1371 0.317,1372 12.836,1373 17.818,1374 12.51,1375 10.466,1376 18.512,1377 13.009,1378 16.071,1379 0.298,1380 0.171,1381 16.071,1382 9.256,1383 12.7,1384 0.19,1385 0.091,1386 12.7,1387 6.073,1388 10.668,1389 0.124,1390 0.048,1391 10.668,1392 4.103,1393 8.39,1394 0.078,1395 0.025,1396 8.39,1397 2.642,1398 0.222,1399 115.921,1400 0.19,1401 35.751,1402 0.332,1403 190,1404 576.656,1405 210.077,1406 545.79,1407 741.23,1408 512,1409 216,1410 540.723,1411 235.112,1412 542.804,1413 790.23,1414 510,1415 7.509}
{0 CHEMBL128172,1 1.353,2 10.042,3 3.733,4 13.936,5 98.309,6 7.192,7 0.593,8 3.874,9 3.992,10 3.429,11 3.498,12 4.918,13 3.457,14 4.405,15 4.572,16 3.765,17 3.901,18 5.382,19 3.836,20 4.666,21 4.869,22 3.77,23 4.016,24 5.613,25 3.907,26 4.733,27 4.983,28 3.616,29 3.943,30 5.623,31 3.804,32 4.583,33 4.825,34 3.585,35 3.864,36 5.444,37 3.737,38 4.602,39 4.834,40 3.633,41 3.859,42 5.584,43 3.748,44 4.554,45 4.789,46 3.512,47 3.796,48 5.531,49 3.67,50 4.458,51 4.716,52 3.276,53 3.618,54 5.426,55 3.477,56 0.035,57 0.596,58 9.029,59 4.044,60 6.166,61 5.439,62 0.107,63 1.016,64 16.542,65 6.752,66 11.239,67 9.235,68 0.141,69 1.255,70 22.669,71 9.394,72 24.452,73 12.843,74 0.285,75 1.315,76 26.037,77 9.965,78 37.998,79 13.813,80 0.123,81 1.139,82 21.664,83 8.91,84 20.246,85 12.488,86 0.256,87 1.155,88 22.383,89 8.745,90 33.417,91 11.972,92 0.155,93 1.091,94 21.235,95 8.457,96 31.145,97 11.604,98 0.195,99 0.975,100 20.071,101 7.564,102 35.418,103 10.356,104 2,105 37,106 0.232,107 0.575,108 0.725,109 0.836,110 0.874,111 0.874,112 3.229,113 0.928,114 -3.95,115 -3.91,116 -3.7,121 47.7,123 1,127 3,137 1,138 1,144 9,145 3,153 1,154 1,158 1,176 13,180 5,185 3,187 14,192 4,197 3,200 10,205 1,206 4,211 2,214 7,219 3,227 9,232 3,235 2,237 1,239 9,244 6,251 9,256 4,261 1,264 7,269 1,274 2,277 7,281 830,282 16.654,283 16.654,284 16.654,285 16.654,286 16.654,287 14.447,288 12.898,289 10.019,290 16.777,291 13.376,292 13.376,293 13.376,294 13.376,295 13.376,296 10.074,297 17.215,298 4.815,299 13.565,300 4.106,301 2.104,302 1.23,303 0.582,304 0.364,305 0.364,306 3.932,310 1,311 1,312 1,313 536,314 2.345,317 48.862,318 212.616,321 92.598,325 1.545,326 14.305,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 50,338 241,339 4.548,340 3.659,341 6.542,342 4.081,343 3.091,344 4.492,345 1.277,346 10.336,347 3.061,348 4.149,349 3.06,350 6.082,351 3.846,352 2.856,353 3.514,354 0.995,355 8.855,356 2.836,357 3.913,358 2.978,359 5.525,360 3.548,361 2.552,362 3.44,363 0.359,364 7.474,365 2.534,366 3.413,367 2.481,368 5.117,369 3.054,370 2.096,371 2.735,373 6.041,374 2.009,375 3.247,376 2.157,377 4.971,378 2.95,379 1.953,380 2.336,382 5.741,383 1.93,384 3.046,385 1.797,386 4.275,387 2.519,388 1.546,389 2.318,391 3.933,392 1.502,393 2.871,394 1.546,395 4.08,396 2.449,397 1.441,398 1.94,400 3.588,401 1.448,402 2.824,403 1.519,404 3.593,405 2.41,406 1.414,407 1.892,409 3.036,410 1.407,411 2.582,412 1.163,413 3.581,414 2.124,415 1.136,416 1.59,418 2.726,419 1.122,420 2.5,421 1.064,422 3.247,423 2,424 1,425 1.5,427 2.136,428 1,429 2.06,430 1,431 3.171,432 1.605,433 0.642,434 0.888,436 1.498,437 0.617,438 1.653,439 0.644,440 2.917,441 1.322,442 0.303,443 0.377,445 0.717,446 0.306,447 1.218,448 0.236,449 2.829,450 0.908,451 -0.068,452 -0.085,454 -0.184,455 -0.066,456 0.893,457 -0.029,458 2.266,459 0.549,460 -0.464,461 -0.575,463 -1.124,464 -0.467,465 0.669,466 -0.5,467 2.093,468 0.183,469 -0.787,470 -0.914,472 -1.978,473 -0.759,474 11.633,475 0.485,476 0.465,477 0.019,478 32,479 1.333,480 17,481 0.708,482 15,483 0.625,484 17.295,485 0.721,486 24.367,487 0.554,488 21.557,489 0.898,490 6.509,491 0.271,492 5.283,493 0.22,494 0.029,496 0.292,501 0.722,502 1.138,503 0.805,504 0.956,505 0.541,506 0.894,507 0.981,508 1.055,509 0.976,510 0.964,511 0.633,512 0.956,513 1.029,514 1.204,515 1.086,516 1.165,517 1.014,518 1.137,519 1.239,520 0.945,521 1.066,522 0.946,523 1.328,524 0.985,525 0.728,526 1.04,527 0.91,528 1.024,529 0.686,530 0.988,531 1.177,532 0.923,533 0.982,534 0.953,535 1.363,536 0.954,537 1.192,538 1.069,539 1.047,540 1.08,541 1.219,542 1.056,543 1.54,544 0.88,545 1.078,546 0.926,547 1.613,548 0.957,549 4,550 0.036,551 2.222,552 1.417,553 0.862,554 0.524,555 0.456,556 0.28,557 0.168,558 0.095,559 6916,560 15569,561 2.187,562 45.5,564 16,565 1,567 1,568 2,572 1.669,573 2.118,574 3.321,575 -0.424,577 1,582 59.538,583 1.353,584 3.355,585 4.229,586 4.877,587 5.096,588 5.096,589 2.736,590 4.335,591 4.558,592 3.446,593 951.041,594 7.863,595 11189.2,597 1,599 1,600 240.215,601 1.099,602 4.546,603 0.148,604 0.003,605 0.06,606 0.04,607 0.03,608 0.018,609 0.015,610 0.011,611 0.008,612 0.006,613 0.34,614 0.83,615 1,616 0.382,617 114.168,618 -0.006,619 -0.058,620 0.057,621 0.013,622 -0.012,623 0.035,624 -0.102,625 0.027,626 -0.065,627 -0.015,628 -0.037,629 -0.029,630 -0.056,631 -0.212,632 -0.138,633 -0.192,634 -0.045,635 -0.177,636 -0.038,637 0.032,638 -0.057,639 0.021,640 -0.104,641 -0.015,642 0.052,643 -0.076,644 0.059,645 -0.039,646 0.036,647 0.004,648 0.104,649 0.06,650 0.019,651 0.015,652 0.004,653 0.008,654 -0.043,655 -0.105,656 -0.056,657 -0.105,658 0.032,659 -0.084,660 -0.148,661 0.078,662 -0.047,663 0.042,664 -0.054,665 0.015,666 1.399,667 5.349,668 0.875,669 19.417,670 0.988,671 1.112,672 2.722,673 7.409,674 0.689,675 3.332,676 3.638,677 3.912,678 4.174,679 4.382,680 4.382,681 4.522,682 4.654,683 4.654,684 4.727,685 5.941,686 0.648,687 316.43,688 3.332,689 4.86,690 5.707,691 6.575,692 7.438,693 8.311,694 9.18,695 10.056,696 10.929,697 11.807,698 4.5,701 1,706 1,714 2,715 10,717 1,720 2,722 16,741 44,743 18,744 2,745 27,747 47,748 21,749 14,750 3,751 9,752 3,756 4,757 5,767 1,770 1,772 17,773 4,777 2,782 1,784 1,786 2,790 1,793 20,794 2,795 1,796 3,802 2,808 0.75,809 1,824 1,828 1,829 3,832 1,841 1,849 1,850 1,855 1,859 3,868 24,876 4,881 1,893 2.3,896 1,901 11.333,902 7.783,903 5.25,904 2.661,907 3.534,908 1.482,909 1.038,910 4.12,911 10.861,912 3.638,913 4.23,914 4.827,915 5.402,916 5.896,917 6.137,918 6.554,919 6.945,920 7.015,921 7.351,922 0.857,923 35,924 8.892,926 3.799,927 0.026,929 7.563,931 17.409,933 14.66,936 2.063,937 49.5,940 1,941 223.651,942 132.069,943 19.91,945 25.145,948 132.069,949 248.796,950 19.91,952 8.852,953 103.81,954 30.278,955 32.04,956 13.915,957 211.88,959 223.651,960 151.979,961 25.145,964 223.651,965 25.145,968 28.761,969 113.741,970 9.476,972 223.651,973 45.055,974 132.069,977 223.651,978 28.259,979 106.934,980 16.786,981 25.145,982 223.651,983 45.055,984 132.069,986 0.575,987 0.335,988 0.184,989 0.101,990 19,991 7,992 0.064,993 3,994 1,995 1.095,996 3.754,997 196.9,998 0.095,999 21,1000 106.039,1005 15.071,1006 6.561,1007 3.261,1008 2.27,1009 28.269,1010 20.618,1012 3.274,1015 2.383,1017 16.786,1018 400.775,1019 37,1024 12.349,1026 2.054,1028 1.173,1031 43.483,1032 48.943,1034 0.248,1035 0.615,1036 0.775,1037 0.893,1038 0.933,1039 0.933,1040 4.852,1041 1.414,1042 5.666,1043 3.588,1044 4.317,1045 4.916,1046 1.842,1047 6.444,1048 4.292,1049 6.045,1050 1.136,1051 7.197,1052 3.036,1053 3.761,1054 4.59,1055 0.325,1056 7.248,1057 3.737,1058 7.338,1059 1,1060 8.827,1061 2.726,1062 5.872,1063 7.113,1064 2.052,1065 10.355,1066 5.823,1067 8.669,1068 0.642,1069 10.519,1070 2.136,1071 6.176,1072 7.7,1073 0.504,1074 12.028,1075 6.133,1076 10.035,1077 0.303,1078 12.251,1079 1.498,1080 7.712,1081 9.64,1082 2.389,1083 14.618,1084 7.647,1085 11.426,1086 -0.068,1087 14.011,1088 0.717,1089 8.429,1090 10.684,1091 0.585,1092 16.655,1093 8.368,1094 12.839,1095 -0.464,1096 15.792,1097 -0.184,1098 9.717,1099 12.371,1100 2.79,1101 19.066,1102 9.638,1103 3.091,1104 -0.787,1105 17.588,1106 -1.124,1107 10.636,1108 13.647,1109 0.622,1110 21.261,1111 10.557,1112 2.856,1113 10.336,1114 19.396,1115 -1.978,1116 11.815,1117 15.221,1118 3.226,1119 23.609,1120 11.722,1121 2.552,1122 8.855,1123 21.214,1124 4.492,1125 12.832,1126 16.613,1127 0.639,1128 25.873,1129 12.735,1130 2.096,1131 7.474,1132 23.039,1133 3.514,1134 13.966,1135 18.14,1136 3.683,1137 28.202,1138 13.857,1139 1.953,1140 6.041,1141 24.871,1142 3.44,1143 15.03,1144 19.588,1145 0.646,1146 30.498,1147 14.914,1148 1.546,1149 5.741,1150 26.709,1151 2.735,1152 16.147,1153 21.097,1154 4.153,1155 32.822,1156 16.02,1157 1.441,1158 3.933,1159 28.551,1160 2.336,1161 17.234,1162 22.572,1163 0.648,1164 35.134,1165 17.099,1166 6429,1167 9732,1168 18.781,1169 30.319,1170 40.723,1171 41.18,1172 40.596,1173 40.083,1174 40.063,1175 54.045,1176 5.262,1177 112.162,1178 39.544,1179 5.548,1180 5.659,1181 6.344,1182 5.117,1183 5.091,1184 7.492,1185 2.555,1186 17.114,1187 5.061,1188 5.972,1189 1.508,1190 1.525,1191 1.504,1192 1.485,1193 1.484,1194 2.002,1195 0.195,1196 4.154,1197 1.465,1198 4.134,1199 4.167,1200 4.092,1201 4.055,1202 7.427,1203 4.06,1204 3.939,1205 3.979,1206 3.863,1207 3.861,1208 4.981,1209 3.856,1210 3.798,1211 3.833,1212 3.722,1213 3.685,1214 4.754,1215 3.689,1216 3.428,1217 3.482,1218 3.322,1219 3.315,1220 4.37,1221 3.31,1222 3.25,1223 3.307,1224 3.145,1225 3.068,1226 4.246,1227 3.074,1228 3.165,1229 3.242,1230 3.007,1231 3.005,1232 3.926,1233 2.994,1234 2.908,1235 2.974,1236 2.765,1237 2.789,1238 3.687,1239 2.776,1240 2.854,1241 2.925,1242 2.708,1243 2.735,1244 3.674,1245 2.715,1246 0.168,1247 0.136,1248 0.242,1249 0.151,1250 0.114,1251 4.548,1252 0.166,1253 3.659,1254 0.047,1255 6.542,1256 0.383,1257 4.081,1258 0.113,1259 3.091,1260 4.492,1261 1.277,1262 10.336,1263 3.061,1264 1.955,1265 1.931,1266 2.068,1267 2.057,1268 1.3,1269 2.062,1270 1.917,1271 1.886,1272 2.03,1273 2.007,1274 1.154,1275 2.015,1276 1.796,1277 1.761,1278 1.942,1279 1.927,1280 1.093,1281 1.935,1282 1.513,1283 1.457,1284 1.681,1285 1.703,1286 0.835,1287 1.7,1288 1.208,1289 1.148,1290 1.477,1291 1.43,1292 0.693,1293 1.44,1294 1.173,1295 1.099,1296 1.421,1297 1.379,1298 0.565,1299 1.406,1300 0.964,1301 0.909,1302 1.204,1303 1.126,1304 0.325,1305 1.159,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 4.007,1314 5.313,1315 2.398,1316 6.817,1317 4.727,1318 8.406,1319 6.823,1320 10.038,1328 3.034,1333 2.345,1340 28.499,1341 59.538,1342 147.632,1343 186.076,1344 214.605,1345 224.215,1346 224.215,1347 31.693,1348 7.328,1349 36.1,1350 36.1,1351 23,1352 12.346,1353 4.248,1354 3.459,1355 33.874,1356 84,1357 84,1358 0.193,1359 173.874,1360 296.75,1361 416.013,1362 15541,1364 16.355,1365 0.681,1366 0.564,1367 16.355,1368 13.535,1369 11.793,1370 0.437,1371 0.309,1372 8.293,1373 11.559,1374 8.094,1375 6.697,1376 11.793,1377 8.356,1378 10.438,1379 0.282,1380 0.171,1381 10.438,1382 6.329,1383 8.95,1384 0.183,1385 0.094,1386 8.95,1387 4.607,1388 7.489,1389 0.117,1390 0.052,1391 7.489,1392 3.332,1393 6.167,1394 0.078,1395 0.029,1396 6.167,1397 2.328,1398 0.302,1399 72.401,1400 0.231,1401 23.485,1402 0.531,1403 128,1404 305.714,1405 133.906,1406 305.865,1407 424.83,1408 288,1409 150,1410 312.721,1411 156.823,1412 323.412,1413 470.41,1414 305,1415 5.097}
{0 CHEMBL128202,1 1.493,2 15.618,3 4.845,4 23.474,5 130.23,6 7.429,7 0.486,8 4.219,9 4.321,10 3.781,11 3.744,12 5.332,13 3.733,14 4.751,15 4.912,16 4.119,17 4.104,18 5.87,19 4.077,20 4.988,21 5.172,22 4.195,23 4.233,24 6.046,25 4.191,26 5.045,27 5.241,28 4.135,29 4.223,30 6.156,31 4.157,32 5.018,33 5.236,34 4.013,35 4.22,36 6.003,37 4.12,38 5.029,39 5.262,40 3.93,41 4.178,42 5.963,43 4.055,44 4.996,45 5.246,46 3.807,47 4.071,48 5.878,49 3.946,50 4.844,51 5.069,52 3.736,53 3.968,54 5.754,55 3.858,56 0.037,57 0.833,58 12.513,59 5.917,60 7.819,61 7.326,62 0.412,63 1.338,64 24.207,65 9.411,66 36.29,67 12.117,68 0.396,69 1.591,70 32.366,71 12.212,72 43.989,73 15.525,74 0.75,75 1.639,76 35.545,77 12.759,78 77.52,79 16.444,80 0.462,81 1.638,82 34.302,83 13.076,84 59.471,85 17.448,86 0.468,87 1.638,88 35.174,89 13.327,90 59.408,91 18.209,92 0.577,93 1.551,94 35.444,95 12.372,96 59.391,97 16.877,98 0.47,99 1.337,100 29.591,101 10.642,102 47.633,103 14.17,104 23,105 50,106 0.239,107 0.55,108 0.754,109 0.868,110 0.903,111 0.903,112 3.56,113 0.921,114 -3.94,115 -3.9,116 -3.7,121 43.5,122 1,123 1,126 1,127 4,144 11,145 3,146 4,159 1,161 1,176 10,179 1,180 14,183 2,187 12,192 10,200 7,205 3,206 11,211 2,214 11,218 1,219 4,224 2,227 11,231 1,232 8,237 1,239 7,243 1,244 7,247 1,251 3,255 1,256 4,264 6,268 1,269 3,274 2,277 8,281 2116,282 23.325,283 23.325,284 23.325,285 23.325,286 23.325,287 20.943,288 30.132,289 13.939,290 23.883,291 18.17,292 18.17,293 18.17,294 18.17,295 18.17,296 14.426,297 39.249,298 6.516,299 18.974,300 4.461,301 2.518,302 1.243,303 0.533,304 0.315,305 0.315,306 4.258,312 1,313 1147,314 4.243,318 394.921,322 297.938,325 2.287,326 34.181,329 1,330 0.67,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.83,337 74,338 531,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 2.186,346 11.061,347 3.18,348 4.106,349 3.66,350 6.011,351 3.732,352 2.771,353 3.688,354 0.916,355 8.529,356 2.667,357 4.048,358 3.021,359 5.704,360 3.613,361 2.643,362 3.676,363 0.86,364 8.065,365 2.563,366 3.682,367 2.992,368 5.408,369 3.418,370 2.494,371 2.965,372 0.86,373 7.086,374 2.292,375 3.617,376 2.82,377 5.384,378 3.232,379 2.271,380 2.889,381 0.366,382 6.912,383 2.171,384 3.429,385 2.67,386 5.124,387 3.158,388 2.199,389 2.544,390 0.172,391 6.042,392 2.085,393 3.307,394 2.492,395 4.99,396 2.947,397 2.009,398 2.503,400 5.914,401 1.86,402 3.122,403 2.2,404 4.623,405 2.778,406 1.805,407 2.24,409 4.89,410 1.744,411 2.904,412 1.716,413 4.125,414 2.441,415 1.462,416 2.081,418 3.384,419 1.428,420 2.715,421 1.582,422 3.72,423 2.36,424 1.392,425 1.811,427 3.103,428 1.339,429 2.663,430 1.37,431 3.602,432 2.242,433 1.256,434 1.735,436 2.975,437 1.235,438 2.499,439 1.298,440 3.494,441 2.181,442 1.19,443 1.485,445 2.61,446 1.178,447 2.384,448 1.281,449 3.476,450 1.884,451 0.86,452 1.258,454 2.046,455 0.874,456 1.63,457 1.101,458 2.992,459 1.492,460 0.55,461 0.58,463 1.084,464 0.514,465 1.507,466 0.86,467 2.911,468 1.3,469 0.384,470 0.41,472 0.566,473 0.347,474 15.967,475 0.47,476 0.691,477 0.02,478 44.25,479 1.301,480 22.5,481 0.662,482 21.75,483 0.64,484 28.29,485 0.832,486 36.833,487 0.594,488 35.356,489 1.04,490 9.012,491 0.265,492 7.555,493 0.222,494 0.104,496 0.307,501 0.776,502 1.299,503 0.773,504 1.148,505 0.589,506 0.988,507 0.877,508 0.976,509 0.87,510 0.959,511 0.557,512 0.907,513 1.207,514 1.015,515 0.943,516 0.994,517 0.842,518 0.929,519 1.173,520 0.959,521 1.042,522 0.96,523 1.145,524 0.975,525 0.924,526 1.019,527 1.018,528 1.034,529 1.051,530 1.045,531 0.767,532 1.105,533 0.998,534 1.112,535 0.635,536 1.104,537 1.008,538 0.905,539 1.042,540 0.952,541 0.754,542 0.996,543 1.109,544 1.04,545 1.114,546 1.042,547 0.861,548 1.078,549 6.5,550 0.178,551 2.889,552 2.375,553 1.853,554 0.813,555 0.665,556 0.358,557 0.292,558 0.168,559 19555,560 53784,561 2.077,562 45.2,564 22,567 1,569 3,570 2,572 1.753,573 1.962,574 3.906,575 -0.392,582 92.563,583 1.493,584 3.436,585 4.711,586 5.422,587 5.64,588 5.64,589 3.359,590 4.676,591 5.063,592 4.091,593 2295.14,594 8.837,595 38042.3,600 369.16,601 1.333,602 5.026,603 0.176,604 0.006,605 0.058,606 0.045,607 0.039,608 0.019,609 0.018,610 0.011,611 0.009,612 0.005,613 0.385,614 0.33,615 0.88,616 1.053,617 187.587,618 -0.025,619 -0.151,620 0.058,621 -0.083,622 -0.038,623 -0.011,624 0.091,625 0.127,626 0.056,627 0.036,628 0.114,629 0.045,630 -0.112,631 -0.006,632 0.029,634 0.009,635 0.038,636 0.009,637 0.024,638 -0.041,639 0.019,640 0.023,641 -0.014,642 -0.051,643 -0.038,644 -0.053,645 -0.036,646 -0.075,647 -0.045,648 0.037,649 -0.146,650 -0.028,651 -0.117,652 0.021,653 -0.091,654 -0.052,655 0.047,656 -0.029,657 0.011,658 -0.047,659 -0.004,660 -0.096,661 -0.079,662 -0.116,663 -0.066,664 -0.094,665 -0.093,666 2.15,667 5.673,668 0.588,669 39.426,670 1.005,671 1.12,672 2.715,673 7.371,674 0.664,675 3.638,676 3.932,677 4.19,678 4.443,679 4.682,680 4.754,681 4.86,682 4.977,683 5.03,684 4.942,685 9.054,686 0.637,687 460.57,688 3.638,689 5.165,690 6.004,691 6.87,692 7.727,693 8.602,694 9.468,695 10.349,696 11.221,697 12.106,698 3.2,701 1,705 1,715 11,720 7,722 18,727 1,737 1,739 2,741 62,743 20,744 3,745 37,747 65,748 27,749 18,750 7,751 11,752 1,756 4,757 7,763 1,770 1,772 20,773 7,777 2,782 2,786 2,793 28,794 7,795 1,796 7,802 2,808 0.5,809 5,829 4,833 2,855 1,859 2,864 2,868 34,876 5,877 1,878 3,881 1,893 8.1,896 2,898 3,901 17.333,902 11.7,903 7.694,904 3.863,907 3.488,908 1.431,909 0.969,910 7.961,911 11.591,912 3.892,913 4.437,914 4.972,915 5.519,916 6.049,917 6.263,918 6.596,919 6.95,920 7.225,921 7.381,922 1,923 53,924 12.587,926 5.272,927 0.026,929 7.779,931 23.945,933 19.182,936 2.279,937 77.5,940 1,941 317.82,942 177.331,943 21.135,945 83.29,948 177.331,949 401.109,950 21.135,951 17.222,952 31.455,953 104.239,954 55.423,955 66.654,956 6.763,957 317.82,959 317.82,960 198.466,961 83.29,964 258.964,965 142.145,968 43.404,969 155.062,972 317.82,973 104.425,974 177.331,977 317.82,978 55.87,979 124.585,980 18.011,981 83.29,982 317.82,983 104.425,984 177.331,986 0.569,987 0.334,988 0.179,989 0.099,990 22,991 10,992 0.154,993 10,994 2,995 1.2,996 4.619,997 300.119,998 0.2,999 20,1000 172.974,1005 23.959,1006 11.298,1007 6.045,1009 104.425,1010 20.128,1015 4.483,1017 18.011,1018 599.575,1019 48,1024 24.103,1028 -0.519,1031 62.327,1032 69.441,1034 0.251,1035 0.577,1036 0.791,1037 0.911,1038 0.947,1039 0.947,1040 5.115,1041 1.805,1042 5.969,1043 5.914,1044 4.615,1045 5.124,1046 2.639,1047 6.749,1048 4.537,1049 6.295,1050 1.462,1051 7.505,1052 4.89,1053 4.111,1054 4.832,1055 1.847,1056 7.579,1057 4.007,1058 7.583,1059 1.392,1060 9.14,1061 3.384,1062 6.176,1063 7.243,1064 3.582,1065 10.683,1066 6.032,1067 8.905,1068 1.256,1069 10.834,1070 3.103,1071 6.494,1072 7.758,1073 3.603,1074 12.358,1075 6.339,1076 10.259,1077 1.19,1078 12.568,1079 2.975,1080 8.004,1081 9.647,1082 4.922,1083 14.991,1084 7.82,1085 11.636,1086 0.86,1087 14.331,1088 2.61,1089 8.728,1090 10.563,1091 5.291,1092 17.051,1093 8.545,1094 13.031,1095 0.55,1096 16.116,1097 2.046,1098 10.008,1099 12.219,1100 6.39,1101 19.527,1102 9.806,1103 3.215,1104 0.384,1105 17.919,1106 1.084,1107 10.942,1108 13.352,1109 6.93,1110 21.769,1111 10.743,1112 2.771,1113 11.061,1114 19.737,1115 0.566,1116 12.128,1117 14.89,1118 7.902,1119 24.193,1120 11.918,1121 2.643,1122 8.529,1123 21.567,1124 4.198,1125 13.169,1126 16.145,1127 8.539,1128 26.519,1129 12.962,1130 2.494,1131 8.065,1132 23.409,1133 3.688,1134 14.322,1135 17.622,1136 9.436,1137 28.926,1138 14.108,1139 2.271,1140 7.086,1141 25.26,1142 3.676,1143 15.418,1144 18.946,1145 10.13,1146 31.292,1147 15.204,1148 2.199,1149 6.912,1150 27.12,1151 2.965,1152 16.564,1153 20.393,1154 10.981,1155 33.694,1156 16.345,1157 2.009,1158 6.042,1159 28.987,1160 2.889,1161 17.688,1162 21.758,1163 11.71,1164 36.078,1165 17.467,1166 18580,1167 30986,1168 24.849,1169 41.182,1170 53.812,1171 56.48,1172 56.05,1173 53.562,1174 53.564,1175 68.727,1176 10.723,1177 149.532,1178 51.491,1179 5.488,1180 5.692,1181 6.468,1182 5.302,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.18,1188 16.408,1189 1.454,1190 1.526,1191 1.515,1192 1.448,1193 1.448,1194 1.857,1195 0.29,1196 4.041,1197 1.392,1198 4.049,1199 4.057,1200 4.014,1201 3.965,1202 7.435,1203 3.975,1204 3.941,1205 3.969,1206 3.879,1207 3.857,1208 7.427,1209 3.857,1210 3.782,1211 3.809,1212 3.716,1213 3.711,1214 4.947,1215 3.708,1216 3.686,1217 3.746,1218 3.563,1219 3.514,1220 4.813,1221 3.514,1222 3.528,1223 3.589,1224 3.438,1225 3.255,1226 4.708,1227 3.267,1228 3.434,1229 3.505,1230 3.277,1231 3.207,1232 4.384,1233 3.231,1234 3.213,1235 3.246,1236 3.118,1237 3.056,1238 4.309,1239 3.069,1240 3.128,1241 3.185,1242 2.942,1243 2.965,1244 4.212,1245 2.949,1246 0.123,1247 0.1,1248 0.183,1249 0.114,1250 0.087,1251 4.553,1252 0.113,1253 3.692,1254 0.059,1255 6.774,1256 0.299,1257 4.203,1258 0.086,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.059,1267 2.084,1268 1.277,1269 2.074,1270 1.912,1271 1.886,1272 2.036,1273 2.027,1274 1.165,1275 2.031,1276 1.775,1277 1.751,1278 1.918,1279 1.896,1280 1.112,1281 1.903,1282 1.664,1283 1.598,1284 1.871,1285 1.837,1286 0.982,1287 1.849,1288 1.441,1289 1.368,1290 1.756,1291 1.731,1292 0.953,1293 1.717,1294 1.4,1295 1.327,1296 1.69,1297 1.656,1298 0.683,1299 1.691,1300 1.163,1301 1.129,1302 1.452,1303 1.393,1304 0.64,1305 1.414,1306 1.116,1307 1.063,1308 1.267,1309 1.306,1310 0.434,1311 1.289,1312 4.317,1314 5.617,1316 7.117,1318 8.716,1320 10.371,1322 3.643,1328 3.857,1329 2.446,1330 17.059,1333 2.3,1340 39.465,1341 92.563,1342 213.053,1343 292.087,1344 336.141,1345 349.65,1346 349.65,1347 65.016,1348 8.102,1349 81.01,1350 81.01,1351 24,1352 12.641,1353 4.392,1354 3.585,1355 57.424,1356 191,1357 176,1358 0.144,1359 241.559,1360 430.43,1361 581.163,1362 45677,1364 23.916,1365 0.703,1366 0.57,1367 23.916,1368 19.375,1369 16.567,1370 0.448,1371 0.307,1372 11.19,1373 15.863,1374 10.914,1375 9.078,1376 16.567,1377 11.364,1378 14.348,1379 0.287,1380 0.159,1381 14.348,1382 7.943,1383 12.117,1384 0.186,1385 0.086,1386 12.117,1387 5.603,1388 9.93,1389 0.118,1390 0.045,1391 9.93,1392 3.822,1393 8.089,1394 0.076,1395 0.025,1396 8.089,1397 2.626,1398 0.238,1399 104.269,1400 0.201,1401 32.336,1402 0.366,1403 174,1404 550.656,1405 194.077,1406 517.609,1407 704.77,1408 486,1409 202,1410 516.794,1411 221.278,1412 516.004,1413 756.94,1414 486,1415 9.252}
{0 CHEMBL128260,1 1.472,2 17.921,3 6.073,4 36.879,5 145.26,6 7.706,7 0.571,8 4.29,9 4.386,10 3.889,11 3.856,12 5.428,13 3.846,14 4.803,15 4.943,16 4.232,17 4.22,18 5.953,19 4.195,20 5.055,21 5.227,22 4.284,23 4.336,24 6.131,25 4.29,26 5.113,27 5.324,28 4.229,29 4.276,30 6.232,31 4.216,32 5.027,33 5.222,34 4.107,35 4.22,36 6.131,37 4.153,38 5.012,39 5.231,40 4.018,41 4.176,42 6.031,43 4.088,44 4.924,45 5.133,46 3.921,47 4.132,48 5.897,49 4.035,50 4.898,51 5.113,52 3.892,53 4.113,54 5.848,55 4.009,56 0.036,57 0.862,58 12.331,59 6.166,60 8.499,61 7.386,62 0.376,63 1.41,64 23.47,65 9.964,66 34.453,67 12.257,68 0.367,69 1.735,70 32.834,71 13.205,72 44.684,73 16.166,74 0.69,75 1.809,76 37.821,77 13.908,78 73.533,79 17.85,80 0.529,81 1.651,82 33.939,83 12.818,84 72.783,85 15.814,86 0.558,87 1.621,88 34.596,89 13.015,90 69.808,91 16.724,92 0.503,93 1.523,94 30.727,95 11.751,96 54.725,97 14.937,98 0.402,99 1.477,100 29.87,101 11.79,102 46.268,103 15.316,104 10,105 57,106 0.23,107 0.519,108 0.697,109 0.844,110 0.896,111 0.896,112 3.667,113 0.889,114 -4.78,115 -4.69,116 -4.41,121 47,123 1,126 1,127 3,144 16,145 3,146 5,159 1,161 1,176 14,179 1,180 13,183 2,185 2,187 16,192 10,197 2,200 9,205 3,206 15,211 3,214 9,218 1,219 8,224 2,227 9,231 1,232 9,237 1,239 10,243 1,244 6,247 1,251 10,255 1,256 4,264 12,268 1,269 4,274 1,277 11,281 3020,282 26.015,283 26.015,284 26.015,285 26.015,286 26.015,287 22.882,288 31.713,289 15.74,290 26.513,291 20.815,292 20.815,293 20.815,294 20.815,295 20.815,296 16.076,297 44.982,298 7.585,299 21.612,300 4.573,301 2.728,302 1.591,303 0.652,304 0.314,305 0.314,306 4.376,312 1,313 1503,314 4.183,318 597.412,322 347.659,325 2.771,326 36.151,329 0.75,330 0.67,331 0.67,332 0.5,333 0.5,334 0.83,335 1,336 0.7,337 82,338 681,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 2.186,346 11.061,347 3.18,348 4.113,349 3.678,350 6.011,351 3.734,352 2.776,353 3.69,354 0.916,355 8.529,356 2.665,357 4.048,358 3.001,359 5.696,360 3.613,361 2.643,362 3.676,363 0.86,364 8.039,365 2.563,366 3.945,367 2.982,368 5.48,369 3.568,370 2.602,371 3.471,372 0.86,373 7.388,374 2.506,375 3.619,376 2.82,377 5.408,378 3.309,379 2.374,380 2.964,381 0.366,382 6.913,383 2.21,384 3.602,385 2.654,386 5.216,387 3.228,388 2.266,389 2.85,390 0.172,391 6.621,392 2.167,393 3.357,394 2.522,395 5.124,396 3.046,397 2.083,398 2.511,400 6.041,401 1.987,402 3.306,403 2.49,404 4.803,405 2.943,406 2.006,407 2.5,409 5.464,410 1.858,411 3.082,412 2.163,413 4.535,414 2.747,415 1.768,416 2.175,418 4.724,419 1.718,420 2.904,421 1.708,422 4.125,423 2.437,424 1.453,425 2.08,427 3.384,428 1.426,429 2.847,430 1.571,431 3.719,432 2.384,433 1.396,434 1.978,436 3.095,437 1.375,438 2.715,439 1.519,440 3.587,441 2.312,442 1.351,443 1.811,445 3,446 1.289,447 2.66,448 1.37,449 3.565,450 2.242,451 1.255,452 1.727,454 2.919,455 1.235,456 2.5,457 1.298,458 3.489,459 2.165,460 1.173,461 1.5,463 2.591,464 1.16,465 2.478,466 1.274,467 3.465,468 2,469 1,470 1.451,472 2.136,473 1,474 17.967,475 0.473,476 0.797,477 0.021,478 53.25,479 1.401,480 29,481 0.763,482 24.25,483 0.638,484 29.366,485 0.773,486 39.633,487 0.601,488 43.082,489 1.134,490 10.865,491 0.286,492 7.682,493 0.202,494 0.065,496 0.301,501 0.767,502 1.194,503 0.738,504 1.055,505 0.59,506 0.917,507 0.864,508 1.021,509 0.882,510 0.991,511 0.564,512 0.939,513 1.214,514 1.118,515 1.017,516 1.079,517 0.887,518 1.023,519 1.057,520 0.963,521 0.919,522 0.94,523 0.969,524 0.907,525 1.338,526 1.012,527 1.112,528 1.013,529 1.51,530 1.022,531 1.104,532 0.968,533 1.007,534 0.951,535 0.964,536 0.963,537 1.13,538 0.947,539 1.153,540 0.998,541 0.954,542 1.065,543 0.956,544 1.037,545 1.069,546 1.048,547 0.807,548 1.077,549 7,550 0.202,551 2.889,552 2.688,553 2.004,554 0.931,555 0.704,556 0.34,557 0.299,558 0.199,559 29498,560 78750,561 2.129,562 42.4,564 25,567 1,570 2,572 1.779,573 2.036,574 4.088,575 -0.427,582 97.134,583 1.472,584 3.316,585 4.453,586 5.393,587 5.73,588 5.73,589 3.527,590 4.932,591 5.223,592 4.303,593 3025.21,594 9.147,595 56214.5,600 398.93,601 1.226,602 5.198,603 0.167,604 0.006,605 0.051,606 0.046,607 0.038,608 0.02,609 0.016,610 0.009,611 0.008,612 0.006,613 0.366,614 0.17,615 0.75,616 0.427,617 218.951,618 -0.024,619 -0.113,620 0.058,621 -0.057,622 -0.046,623 0.003,624 0.097,625 0.051,626 0.009,627 -0.021,628 0.103,629 -0.018,630 -0.116,631 -0.116,632 -0.055,633 -0.1,634 -0.035,635 -0.072,636 0.09,637 0.022,638 0.11,639 0.029,640 0.13,641 0.067,642 -0.136,643 -0.032,644 -0.101,645 -0.04,646 -0.141,647 -0.06,648 -0.033,649 -0.01,650 0.018,651 0.034,652 -0.009,653 0.034,654 -0.108,655 0.046,656 -0.156,657 -0.022,658 -0.121,659 -0.086,660 -0.053,661 -0.065,662 -0.082,663 -0.057,664 -0.063,665 -0.075,666 2.194,667 5.699,668 0.684,669 52.338,670 1.005,671 1.113,672 3.55,673 12.599,674 0.685,675 3.761,676 4.06,677 4.304,678 4.575,679 4.796,680 4.844,681 4.949,682 5.075,683 5.124,684 5.106,685 10.39,686 0.659,687 508.61,688 3.761,689 5.293,690 6.129,691 6.995,692 7.845,693 8.718,694 9.576,695 10.455,696 11.319,697 12.201,698 3,701 1,705 1,715 16,720 8,722 24,727 1,737 1,739 2,741 66,743 26,744 4,745 42,747 70,748 31,749 24,750 8,751 16,752 1,756 5,757 8,770 1,772 26,773 5,777 2,782 2,786 2,793 28,794 7,795 1,796 7,802 2,808 0.6,809 5,829 5,833 2,855 1,859 3,864 1,868 38,876 4,877 1,878 3,881 1,893 7.6,896 2,898 3,901 18.667,902 12.117,903 8.361,904 3.886,907 4.4,908 1.514,909 0.995,910 8.147,911 12.951,912 4.043,913 4.605,914 5.136,915 5.697,916 6.212,917 6.36,918 6.686,919 7.048,920 7.31,921 7.534,922 0.917,923 58,924 14.064,926 5.971,927 0.026,929 7.754,931 26.732,933 21.665,936 2.254,937 85.667,941 317.82,942 216.538,943 21.135,945 83.29,948 216.538,949 401.109,950 21.135,951 8.396,952 29.349,953 151.62,954 55.423,955 69.411,956 6.763,957 317.82,959 317.82,960 237.673,961 83.29,964 294.278,965 106.832,968 32.473,969 205.2,972 317.82,973 104.425,974 216.538,977 317.82,978 56.521,979 163.141,980 18.011,981 83.29,982 317.82,983 104.425,984 216.538,986 0.573,987 0.326,988 0.182,989 0.099,990 26,991 11,992 0.143,993 10,994 2,995 1.154,996 5.102,997 349.496,998 0.154,999 26,1000 192.666,1005 25.679,1006 12.056,1007 6.685,1009 104.425,1010 29.248,1015 5.065,1017 18.011,1018 638.782,1019 56,1024 24.873,1028 -0.568,1031 66.327,1032 73.441,1034 0.243,1035 0.549,1036 0.737,1037 0.892,1038 0.948,1039 0.948,1040 5.263,1041 2.006,1042 6.089,1043 6.041,1044 4.745,1045 5.293,1046 2.639,1047 6.855,1048 4.675,1049 6.446,1050 1.768,1051 7.612,1052 5.464,1053 4.205,1054 4.934,1055 1.847,1056 7.633,1057 4.1,1058 7.729,1059 1.453,1060 9.234,1061 4.724,1062 6.29,1063 7.411,1064 3.582,1065 10.75,1066 6.156,1067 9.043,1068 1.396,1069 10.916,1070 3.384,1071 6.567,1072 7.852,1073 3.603,1074 12.393,1075 6.414,1076 10.39,1077 1.351,1078 12.64,1079 3.095,1080 8.1,1081 9.8,1082 4.922,1083 15.029,1084 7.925,1085 11.759,1086 1.255,1087 14.393,1088 3,1089 8.792,1090 10.652,1091 5.291,1092 17.072,1093 8.609,1094 13.147,1095 1.173,1096 16.169,1097 2.919,1098 10.085,1099 12.347,1100 6.39,1101 19.546,1102 9.886,1103 3.215,1104 1,1105 17.965,1106 2.591,1107 10.996,1108 13.43,1109 6.93,1110 21.78,1111 10.796,1112 2.776,1113 11.061,1114 19.776,1115 2.136,1116 12.186,1117 14.991,1118 7.902,1119 24.201,1120 11.976,1121 2.643,1122 8.529,1123 21.601,1124 4.198,1125 13.213,1126 16.21,1127 8.539,1128 26.524,1129 13.002,1130 2.602,1131 8.039,1132 23.437,1133 3.69,1134 14.365,1135 17.699,1136 9.436,1137 28.93,1138 14.148,1139 2.374,1140 7.388,1141 25.284,1142 3.676,1143 15.452,1144 18.998,1145 10.13,1146 31.294,1147 15.233,1148 2.266,1149 6.913,1150 27.14,1151 3.471,1152 16.595,1153 20.449,1154 10.981,1155 33.695,1156 16.371,1157 2.083,1158 6.621,1159 29.004,1160 2.964,1161 17.714,1162 21.797,1163 11.71,1164 36.079,1165 17.487,1166 27171,1167 44601,1168 28.72,1169 45.182,1170 62.077,1171 64.113,1172 62.862,1173 61.36,1174 61.269,1175 80.573,1176 10.723,1177 169.834,1178 59.185,1179 5.487,1180 5.692,1181 6.576,1182 5.302,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.18,1188 14.851,1189 1.478,1190 1.527,1191 1.497,1192 1.461,1193 1.459,1194 1.918,1195 0.255,1196 4.044,1197 1.409,1198 4.051,1199 4.06,1200 4.016,1201 3.967,1202 7.435,1203 3.976,1204 3.95,1205 3.977,1206 3.891,1207 3.864,1208 7.427,1209 3.865,1210 3.882,1211 3.917,1212 3.812,1213 3.813,1214 4.948,1215 3.808,1216 3.781,1217 3.807,1218 3.716,1219 3.711,1220 4.826,1221 3.708,1222 3.659,1223 3.721,1224 3.53,1225 3.486,1226 4.753,1227 3.485,1228 3.406,1229 3.444,1230 3.346,1231 3.162,1232 4.708,1233 3.185,1234 3.334,1235 3.379,1236 3.231,1237 3.068,1238 4.385,1239 3.116,1240 3.184,1241 3.202,1242 3.08,1243 3.027,1244 4.275,1245 3.036,1246 0.108,1247 0.088,1248 0.161,1249 0.1,1250 0.077,1251 4.553,1252 0.1,1253 3.692,1254 0.052,1255 6.774,1256 0.263,1257 4.203,1258 0.076,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.058,1267 2.084,1268 1.254,1269 2.073,1270 1.913,1271 1.888,1272 2.033,1273 2.028,1274 1.164,1275 2.03,1276 1.882,1277 1.85,1278 2.008,1279 1.981,1280 1.112,1281 1.992,1282 1.775,1283 1.751,1284 1.911,1285 1.888,1286 1.06,1287 1.896,1288 1.638,1289 1.572,1290 1.855,1291 1.816,1292 0.974,1293 1.831,1294 1.331,1295 1.267,1296 1.632,1297 1.589,1298 0.78,1299 1.6,1300 1.195,1301 1.168,1302 1.364,1303 1.519,1304 0.498,1305 1.467,1306 1.125,1307 1.105,1308 1.318,1309 1.313,1310 0.415,1311 1.294,1312 4.443,1314 5.746,1316 7.244,1318 8.835,1320 10.481,1322 2.033,1328 2.848,1329 2.712,1330 17.277,1333 2.179,1340 43.465,1341 97.134,1342 218.876,1343 293.91,1344 355.91,1345 378.175,1346 378.175,1347 68.422,1348 8.552,1349 81.01,1350 81.01,1351 30,1352 12.739,1353 4.755,1354 3.907,1355 59.743,1356 244,1357 218,1358 0.115,1359 263.752,1360 468.45,1361 635.316,1362 87962,1364 26.321,1365 0.693,1366 0.554,1367 26.321,1368 21.054,1369 18.547,1370 0.442,1371 0.296,1372 12.278,1373 17.863,1374 12.004,1375 9.97,1376 18.547,1377 12.448,1378 16.511,1379 0.29,1380 0.159,1381 16.511,1382 9.053,1383 13.456,1384 0.184,1385 0.083,1386 13.456,1387 6.084,1388 11.638,1389 0.121,1390 0.044,1391 11.638,1392 4.266,1393 9.236,1394 0.077,1395 0.023,1396 9.236,1397 2.797,1398 0.192,1399 116.082,1400 0.187,1401 35.782,1402 0.286,1403 198,1404 606.656,1405 218.41,1406 577.603,1407 789.8,1408 542,1409 229,1410 582.287,1411 248.778,1412 585.96,1413 855.89,1414 551,1415 8.553}
{0 CHEMBL128292,1 1.523,2 13.571,3 5.282,4 27.897,5 135.372,6 8.027,7 0.564,8 4.167,9 4.268,10 3.804,11 3.775,12 5.351,13 3.758,14 4.685,15 4.825,16 4.166,17 4.182,18 5.91,19 4.149,20 4.957,21 5.131,22 4.243,23 4.321,24 6.104,25 4.264,26 5.068,27 5.276,28 4.178,29 4.287,30 6.233,31 4.221,32 4.947,33 5.142,34 4.144,35 4.266,36 6.067,37 4.198,38 4.981,39 5.176,40 4.186,41 4.313,42 6.089,43 4.238,44 4.994,45 5.187,46 4.183,47 4.298,48 6.253,49 4.216,50 4.976,51 5.192,52 4.07,53 4.196,54 6.179,55 4.115,56 0.124,57 0.793,58 9.796,59 5.104,60 8.919,61 6.238,62 0.284,63 1.323,64 18.61,65 8.512,66 44.807,67 10.542,68 0.224,69 1.676,70 26.966,71 11.864,72 42.746,73 14.949,74 0.583,75 1.809,76 34.729,77 12.985,78 94.117,79 16.157,80 0.353,81 1.609,82 29.048,83 12.05,84 66.868,85 15.196,86 0.459,87 1.683,88 29.834,89 12.607,90 62.445,91 16.123,92 0.528,93 1.686,94 29.974,95 12.78,96 98.009,97 16.657,98 0.529,99 1.64,100 31.708,101 12.322,102 93.639,103 15.911,104 18,105 55,106 0.242,107 0.552,108 0.713,109 0.834,110 0.861,111 0.861,112 3.589,113 0.876,114 -5.03,115 -4.93,116 -4.62,121 48.3,123 1,127 3,137 1,138 1,144 13,145 4,146 1,153 1,154 1,158 1,160 1,168 2,176 17,179 2,180 12,187 18,192 17,200 12,205 1,206 18,214 10,219 8,227 18,231 4,232 6,239 23,243 4,244 6,251 19,255 2,256 11,264 12,269 16,277 9,281 2410,282 23.792,283 23.792,284 23.792,285 23.792,286 23.792,287 20.535,288 23.838,289 14.004,290 23.988,291 19.255,292 19.255,293 19.255,294 19.255,295 19.255,296 14.269,297 29.251,298 6.672,299 19.547,300 4.335,301 2.392,302 1.374,303 0.614,304 0.448,305 0.448,306 4.295,312 1,313 1038,314 3.606,317 77.519,318 429.546,321 146.684,325 2.106,326 40.719,329 1,330 0.83,331 1,332 0.6,333 0.5,334 1,335 1,336 0.85,337 75.5,338 475,339 4.703,340 3.781,341 6.887,342 4.247,343 3.274,344 4.652,345 2.612,346 11.527,347 3.187,348 4.289,349 3.702,350 6.244,351 3.902,352 2.907,353 3.98,354 1.277,355 9.238,356 2.899,357 4.174,358 3.656,359 6.075,360 3.803,361 2.815,362 3.583,363 0.995,364 8.783,365 2.788,366 4.025,367 3.048,368 5.906,369 3.593,370 2.612,371 3.486,372 0.98,373 8.108,374 2.554,375 3.913,376 2.978,377 5.53,378 3.541,379 2.544,380 3.436,381 0.359,382 7.481,383 2.529,384 3.472,385 2.483,386 5.411,387 3.069,388 2.108,389 2.839,391 6.55,392 2.029,393 3.36,394 2.297,395 4.985,396 2.976,397 1.995,398 2.7,400 5.857,401 1.94,402 3.246,403 2.169,404 4.923,405 2.856,406 1.872,407 2.336,409 5.353,410 1.834,411 3.006,412 1.83,413 4.224,414 2.451,415 1.442,416 2.174,418 3.805,419 1.452,420 2.872,421 1.767,422 4.039,423 2.41,424 1.414,425 1.94,427 3.257,428 1.407,429 2.825,430 1.677,431 3.727,432 2.375,433 1.37,434 1.9,436 3.036,437 1.373,438 2.691,439 1.519,440 3.593,441 2.168,442 1.178,443 1.726,445 2.791,446 1.165,447 2.507,448 1.202,449 3.59,450 2.006,451 1,452 1.5,454 2.562,455 1.003,456 2.5,457 1.074,458 3.414,459 2,460 1,461 1.5,463 2.275,464 1,465 2.5,466 1,467 3.357,468 2,469 1,470 1.433,472 2.136,473 1,474 16.533,475 0.472,476 0.853,477 0.024,478 49.75,479 1.421,480 27.5,481 0.786,482 22.25,483 0.636,484 26.768,485 0.765,486 35.667,487 0.615,488 42.023,489 1.201,490 10.079,491 0.288,492 6.913,493 0.198,494 0.081,496 0.345,501 0.418,502 1.113,503 0.676,504 0.939,505 0.469,506 0.872,507 0.59,508 1.06,509 0.843,510 0.962,511 0.452,512 0.939,513 0.776,514 1.219,515 0.96,516 1.164,517 0.668,518 1.105,519 1.188,520 0.93,521 1.054,522 0.915,523 1.135,524 0.948,525 0.92,526 0.975,527 0.952,528 0.974,529 0.899,530 0.97,531 0.738,532 0.883,533 0.937,534 0.969,535 0.807,536 0.99,537 0.557,538 1.085,539 0.94,540 1.12,541 0.575,542 1.107,543 0.88,544 0.966,545 0.975,546 0.991,547 0.859,548 0.996,549 6.5,550 0.197,551 4,552 2.764,553 1.819,554 1.244,555 0.886,556 0.582,557 0.473,558 0.37,559 18754,560 54159,561 2.123,562 39.7,564 20,565 1,568 2,572 1.769,573 2,574 3.713,575 -0.794,582 88.36,583 1.523,584 3.466,585 4.484,586 5.244,587 5.41,588 5.41,589 3.218,590 4.729,591 5.096,592 3.874,593 2304.99,594 8.963,595 35895.2,600 339.763,601 1.366,602 5.067,603 0.167,604 0.005,605 0.073,606 0.048,607 0.035,608 0.024,609 0.016,610 0.011,611 0.01,612 0.009,613 0.399,614 0.17,615 0.75,616 0.651,617 189.353,618 0.157,619 -0.031,620 0.061,621 0.017,622 0.002,623 0.012,624 0.093,625 0.015,626 -0.024,627 -0.01,628 0.114,629 -0.029,630 -0.03,631 -0.211,632 -0.059,633 -0.187,634 0.026,635 -0.139,636 -0.124,637 0.061,638 -0.037,639 0.059,640 -0.082,641 0.035,642 -0.074,643 -0.002,644 0.005,645 0.021,646 -0.056,647 0.028,648 0.058,649 0.097,650 0.011,651 0.026,652 -0.031,653 0.009,654 0.227,655 -0.116,656 0.01,657 -0.123,658 0.197,659 -0.104,660 0.054,661 0.003,662 0.039,664 0.065,665 0.016,666 2.494,667 6.264,668 0.771,669 40.416,670 1.008,671 1.112,672 3.804,673 14.471,674 0.697,675 3.689,676 4.025,677 4.317,678 4.585,679 4.844,680 4.949,681 5.13,682 5.268,683 5.38,684 5.521,685 7.794,686 0.676,687 465.54,688 3.689,689 5.242,690 6.103,691 6.986,692 7.865,693 8.756,694 9.644,695 10.54,696 11.434,697 12.334,698 5.2,701 1,706 1,709 1,714 2,715 14,720 4,721 1,722 22,735 1,741 58,743 27,744 3,745 39,747 62,748 28,749 20,750 5,751 13,752 4,756 5,757 6,767 1,770 1,772 24,773 4,777 5,779 1,782 4,784 1,786 3,793 23,794 5,796 7,802 3,808 0.8,809 4,824 1,828 1,829 4,832 1,841 1,849 1,850 1,855 1,859 4,868 35,876 4,881 1,893 6.9,896 2,899 2,901 17.5,902 10.517,903 7.611,904 3.458,907 4.567,908 1.545,909 1.016,910 6.304,911 12.945,912 4.025,913 4.647,914 5.252,915 5.836,916 6.393,917 6.751,918 7.224,919 7.599,920 7.912,921 8.338,922 1,923 57,924 13.001,926 5.711,927 0.026,929 7.929,931 24.477,933 20.484,936 2.429,937 85,941 270.735,942 180.621,943 10.693,945 101.037,948 180.621,949 371.772,950 10.693,951 5.67,952 8.852,953 141.715,954 60.128,955 23.095,956 13.915,957 258.964,958 50.747,959 270.735,960 191.314,961 101.037,964 270.735,965 50.29,966 50.747,968 13.875,969 162.293,970 15.146,972 270.735,973 111.73,974 180.621,977 270.735,978 38.906,979 152.408,981 101.037,982 270.735,983 111.73,984 180.621,986 0.585,987 0.344,988 0.182,989 0.102,990 27,991 12,992 0.081,993 5,994 1,995 1.074,996 4.56,997 340.089,998 0.074,999 27,1000 169.525,1005 22.763,1006 9.692,1007 4.795,1008 1.579,1009 104.161,1010 25.007,1015 2.269,1016 1.54,1018 563.086,1019 55,1021 -0.494,1024 47.921,1026 1.89,1028 0.548,1031 58.451,1032 64.485,1034 0.26,1035 0.592,1036 0.765,1037 0.895,1038 0.923,1039 0.923,1040 5.26,1041 1.872,1042 6.089,1043 5.857,1044 4.71,1045 5.335,1046 2.967,1047 6.909,1048 4.681,1049 6.48,1050 1.442,1051 7.654,1052 5.353,1053 4.29,1054 5.165,1055 2.396,1056 7.818,1057 4.243,1058 7.796,1059 1.414,1060 9.319,1061 3.805,1062 6.312,1063 7.569,1064 4.281,1065 10.935,1066 6.247,1067 9.149,1068 1.37,1069 11.045,1070 3.257,1071 6.723,1072 8.256,1073 4.514,1074 12.692,1075 6.64,1076 10.534,1077 1.178,1078 12.808,1079 3.036,1080 8.208,1081 10.124,1082 5.978,1083 15.33,1084 8.107,1085 11.944,1086 1,1087 14.598,1088 2.791,1089 9.002,1090 11.224,1091 6.557,1092 17.453,1093 8.881,1094 13.373,1095 1,1096 16.409,1097 2.562,1098 10.273,1099 12.875,1100 7.801,1101 19.938,1102 10.133,1103 3.274,1104 1,1105 18.234,1106 2.275,1107 11.252,1108 14.184,1109 8.548,1110 22.228,1111 11.088,1112 2.907,1113 11.527,1114 20.072,1115 2.136,1116 12.439,1117 15.747,1118 9.671,1119 24.668,1120 12.253,1121 2.815,1122 9.238,1123 21.92,1124 4.652,1125 13.508,1126 17.163,1127 10.509,1128 27.036,1129 13.296,1130 2.612,1131 8.783,1132 23.777,1133 3.98,1134 14.666,1135 18.694,1136 11.564,1137 29.466,1138 14.43,1139 2.544,1140 8.108,1141 25.642,1142 3.583,1143 15.78,1144 20.164,1145 12.452,1146 31.871,1147 15.516,1148 2.108,1149 7.481,1150 27.513,1151 3.486,1152 16.933,1153 21.687,1154 13.468,1155 34.303,1156 16.642,1157 1.995,1158 6.55,1159 29.391,1160 3.436,1161 18.071,1162 23.186,1163 14.386,1164 36.726,1165 17.75,1166 17574,1167 30108,1168 26.353,1169 40.449,1170 59.771,1171 62.332,1172 60.404,1173 58.906,1174 58.826,1175 80.841,1176 12.447,1177 169.907,1178 58.102,1179 5.703,1180 5.781,1181 6.689,1182 5.283,1183 5.274,1184 7.652,1185 4.612,1186 19.064,1187 5.187,1188 16.127,1189 1.533,1190 1.598,1191 1.549,1192 1.51,1193 1.508,1194 2.073,1195 0.319,1196 4.357,1197 1.49,1198 4.168,1199 4.196,1200 4.138,1201 4.081,1202 7.815,1203 4.09,1204 3.966,1205 3.99,1206 3.931,1207 3.862,1208 7.43,1209 3.861,1210 3.94,1211 3.98,1212 3.865,1213 3.852,1214 7.425,1215 3.855,1216 3.799,1217 3.834,1218 3.724,1219 3.686,1220 6.999,1221 3.69,1222 3.56,1223 3.58,1224 3.536,1225 3.34,1226 4.916,1227 3.354,1228 3.41,1229 3.453,1230 3.321,1231 3.178,1232 4.754,1233 3.223,1234 3.258,1235 3.309,1236 3.168,1237 3.052,1238 4.652,1239 3.066,1240 3.191,1241 3.252,1242 3.071,1243 2.977,1244 4.36,1245 2.996,1246 0.121,1247 0.097,1248 0.177,1249 0.109,1250 0.084,1251 4.703,1252 0.119,1253 3.781,1254 0.067,1255 6.887,1256 0.296,1257 4.247,1258 0.082,1259 3.274,1260 4.652,1261 2.612,1262 11.527,1263 3.187,1264 1.967,1265 1.945,1266 2.068,1267 2.099,1268 1.3,1269 2.071,1270 1.934,1271 1.905,1272 2.041,1273 2.056,1274 1.168,1275 2.058,1276 1.905,1277 1.88,1278 2.006,1279 2.003,1280 1.106,1281 2.002,1282 1.794,1283 1.76,1284 1.937,1285 1.928,1286 1.082,1287 1.933,1288 1.541,1289 1.497,1290 1.671,1291 1.776,1292 0.848,1293 1.727,1294 1.292,1295 1.259,1296 1.478,1297 1.599,1298 0.702,1299 1.541,1300 1.2,1301 1.14,1302 1.434,1303 1.43,1304 0.59,1305 1.44,1306 1.121,1307 1.071,1308 1.273,1309 1.386,1310 0.374,1311 1.389,1312 4.369,1314 5.7,1315 2.398,1316 7.226,1317 4.844,1318 8.836,1319 7.05,1320 10.488,1328 2.486,1333 2.254,1340 39.191,1341 88.36,1342 201.054,1343 260.048,1344 304.153,1345 313.763,1346 313.763,1347 73.145,1348 8.378,1349 88.13,1350 88.13,1351 29,1352 12.858,1353 4.807,1354 4.087,1355 52.129,1356 160,1357 173,1358 0.155,1359 237.773,1360 418.76,1361 571.927,1362 57235,1364 24.363,1365 0.696,1366 0.542,1367 24.363,1368 18.963,1369 16.991,1370 0.436,1371 0.292,1372 11.26,1373 16.422,1374 11.031,1375 9.108,1376 16.991,1377 11.387,1378 15.442,1379 0.281,1380 0.157,1381 15.442,1382 8.62,1383 13.251,1384 0.179,1385 0.085,1386 13.251,1387 6.273,1388 10.905,1389 0.112,1390 0.046,1391 10.905,1392 4.473,1393 9.083,1394 0.072,1395 0.025,1396 9.083,1397 3.179,1398 0.244,1399 106.15,1400 0.195,1401 32.246,1402 0.422,1403 188,1404 571.877,1405 203.324,1406 555.209,1407 746.79,1408 514,1409 223,1410 546.624,1411 239.466,1412 551.979,1413 803.3,1414 518,1415 4.301}
{0 CHEMBL128452,1 1.435,2 17.553,3 6.697,4 44.855,5 148.628,6 6.982,7 0.439,8 4.375,9 4.488,10 3.882,11 3.898,12 5.427,13 3.87,14 4.93,15 5.106,16 4.205,17 4.263,18 5.971,19 4.208,20 5.194,21 5.412,22 4.278,23 4.384,24 6.156,25 4.313,26 5.229,27 5.455,28 4.251,29 4.363,30 6.264,31 4.284,32 5.188,33 5.406,34 4.153,35 4.366,36 6.167,37 4.266,38 5.223,39 5.463,40 4.107,41 4.354,42 6.147,43 4.233,44 5.184,45 5.419,46 4.013,47 4.296,48 6.085,49 4.172,50 5.119,51 5.357,52 3.97,53 4.251,54 5.978,55 4.126,56 0.019,57 0.99,58 16.223,59 7.303,60 8.646,61 9.498,62 0.387,63 1.599,64 30.63,65 11.761,66 40.135,67 15.903,68 0.386,69 1.94,70 41.673,71 14.999,72 49.902,73 20.41,74 0.749,75 1.963,76 44.129,77 14.964,78 81.222,79 20.571,80 0.507,81 1.914,82 41.571,83 15.055,84 68.074,85 20.463,86 0.515,87 1.941,88 43.458,89 15.924,90 71.123,91 22.034,92 0.594,93 1.858,94 42.192,95 14.908,96 69.613,97 20.371,98 0.487,99 1.746,100 39.272,101 14.25,102 52.329,103 19.602,104 29,105 54,106 0.222,107 0.512,108 0.717,109 0.855,110 0.904,111 0.904,112 3.667,113 0.982,114 -4.72,115 -4.64,116 -4.36,121 41.9,122 2,123 4,127 5,144 11,145 3,146 4,159 1,161 1,176 13,179 1,180 14,183 2,185 1,187 13,192 11,197 1,200 7,205 3,206 13,211 3,214 11,218 1,219 6,224 2,227 13,231 1,232 10,237 1,239 11,243 1,244 8,247 1,251 8,255 1,256 5,264 12,268 1,269 4,274 2,277 13,281 3152,282 26.154,283 26.154,284 26.154,285 26.154,286 26.154,287 23.771,288 31.713,289 16.169,290 26.658,291 20.246,292 20.246,293 20.246,294 20.246,295 20.246,296 16.525,297 41.749,298 7.642,299 21.057,300 4.774,301 2.904,302 1.575,303 0.689,304 0.372,305 0.372,306 4.366,312 1,313 1430,314 4.69,318 462.507,322 351.242,325 2.763,326 37.067,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 82,338 667,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 2.186,346 11.061,347 3.18,348 4.107,349 3.665,350 6.011,351 3.735,352 2.774,353 3.688,354 0.916,355 8.529,356 2.669,357 4.048,358 3.026,359 5.708,360 3.613,361 2.643,362 3.676,363 0.86,364 8.085,365 2.563,366 3.695,367 2.992,368 5.41,369 3.437,370 2.511,371 2.965,372 0.86,373 7.165,374 2.311,375 3.617,376 2.82,377 5.399,378 3.235,379 2.274,380 2.899,381 0.366,382 6.912,383 2.173,384 3.45,385 2.678,386 5.125,387 3.192,388 2.232,389 2.561,390 0.172,391 6.064,392 2.122,393 3.308,394 2.492,395 5.021,396 2.947,397 2.01,398 2.503,400 6.031,401 1.862,402 3.14,403 2.21,404 4.664,405 2.821,406 1.854,407 2.262,409 5.063,410 1.784,411 2.904,412 1.784,413 4.125,414 2.55,415 1.555,416 2.081,418 3.384,419 1.541,420 2.715,421 1.721,422 3.721,423 2.45,424 1.477,425 1.811,427 3.117,428 1.434,429 2.672,430 1.59,431 3.617,432 2.397,433 1.414,434 1.742,436 3.022,437 1.383,438 2.611,439 1.371,440 3.573,441 2.243,442 1.256,443 1.605,445 2.993,446 1.236,447 2.519,448 1.298,449 3.486,450 2.193,451 1.2,452 1.512,454 2.61,455 1.189,456 2.398,457 1.294,458 3.479,459 1.996,460 1.024,461 1.271,463 2.069,464 0.991,465 2.05,466 1.143,467 3.135,468 1.87,469 0.844,470 1.035,472 1.759,473 0.86,474 17.967,475 0.473,476 0.691,477 0.018,478 46.25,479 1.217,480 22.5,481 0.592,482 23.75,483 0.625,484 36.156,485 0.951,486 42.033,487 0.568,488 37.42,489 0.985,490 8.931,491 0.235,492 9.637,493 0.254,494 0.093,496 0.273,501 0.77,502 1.323,503 0.838,504 1.19,505 0.587,506 1.047,507 0.841,508 1.089,509 0.922,510 1.059,511 0.539,512 1.003,513 1.148,514 1.024,515 0.91,516 0.971,517 0.813,518 0.909,519 1.161,520 0.918,521 0.953,522 0.888,523 1.077,524 0.882,525 1.186,526 1.02,527 1.085,528 1.021,529 1.34,530 1.034,531 0.956,532 1.034,533 0.975,534 1.025,535 0.858,536 1.009,537 1.225,538 0.965,539 1.132,540 1.004,541 1.051,542 1.048,543 1.096,544 1.004,545 1.057,546 1.007,547 0.803,548 1.028,549 6.5,550 0.215,551 2.889,552 2.5,553 1.933,554 0.868,555 0.665,556 0.389,557 0.345,558 0.214,559 26507,560 64972,561 2.069,562 48.6,563 8,564 21,567 1,569 4,570 2,572 1.783,573 1.966,574 4.053,575 -0.427,582 106.193,583 1.435,584 3.305,585 4.634,586 5.52,587 5.838,588 5.838,589 3.55,590 4.985,591 5.219,592 4.251,593 2988.77,594 9.165,595 54497.9,600 459.5,601 1.267,602 5.192,603 0.159,604 0.006,605 0.053,606 0.044,607 0.036,608 0.018,609 0.014,610 0.009,611 0.009,612 0.005,613 0.353,614 0.17,615 0.75,616 1.48,617 217.609,618 -0.008,619 -0.134,620 0.058,621 -0.072,622 -0.018,623 -0.008,624 0.12,625 0.023,626 0.036,627 -0.033,628 0.134,629 -0.012,630 -0.063,631 -0.011,632 0.085,633 0.018,634 0.025,635 0.069,636 0.051,637 0.084,638 0.067,639 0.073,640 0.081,641 0.075,642 -0.103,643 -0.013,644 -0.092,645 -0.032,646 -0.124,647 -0.056,648 0.009,649 -0.07,650 0.01,651 -0.036,652 0.009,653 -0.017,654 -0.107,655 0.012,656 -0.126,657 -0.033,658 -0.126,659 -0.078,660 -0.075,661 -0.036,662 -0.066,663 -0.022,664 -0.07,665 -0.042,666 2.084,667 5.739,668 0.526,669 51.834,670 0.998,671 1.123,672 3.492,673 12.192,674 0.652,675 3.738,676 4.007,677 4.248,678 4.511,679 4.736,680 4.82,681 4.92,682 5.05,683 5.112,684 5.063,685 9.963,686 0.616,687 516.69,688 3.738,689 5.252,690 6.08,691 6.938,692 7.787,693 8.657,694 9.517,695 10.395,696 11.262,697 12.145,698 2.7,701 1,705 1,715 11,720 7,722 18,727 1,737 1,739 2,741 74,743 20,744 3,745 41,747 77,748 31,749 18,750 7,751 11,752 1,756 4,757 7,763 2,770 4,772 20,773 11,777 2,782 2,786 2,793 36,794 7,795 1,796 7,802 2,808 0.5,809 5,829 4,833 2,855 1,859 2,864 2,868 38,876 9,877 1,878 3,881 1,893 6.8,896 2,898 3,901 19.333,902 13.7,903 8.694,904 4.988,907 3.5,908 1.422,909 0.959,910 10.334,911 11.799,912 3.97,913 4.483,914 4.999,915 5.547,916 6.065,917 6.283,918 6.615,919 6.975,920 7.255,921 7.428,922 0.917,923 57,924 14.122,926 5.865,927 0.026,929 7.697,931 27.211,933 21.828,936 2.197,937 83.5,941 411.989,942 187.469,943 21.135,945 83.29,948 187.469,949 495.278,950 21.135,951 17.65,952 41.164,953 104.239,954 55.423,955 66.654,956 6.763,957 411.989,959 411.989,960 208.604,961 83.29,964 341.362,965 153.916,968 61.939,969 146.665,972 411.989,973 104.425,974 187.469,977 411.989,978 65.58,979 125.013,980 18.011,981 83.29,982 411.989,983 104.425,984 187.469,986 0.558,987 0.319,988 0.179,989 0.098,990 22,991 10,992 0.182,993 14,994 2,995 1.2,996 4.989,997 342.74,998 0.2,999 20,1000 199.421,1005 27.842,1006 14.104,1007 7.911,1009 104.425,1010 20.339,1015 4.554,1017 18.011,1018 703.882,1019 52,1024 24.722,1028 -0.45,1031 73.861,1032 83.102,1034 0.231,1035 0.532,1036 0.746,1037 0.889,1038 0.94,1039 0.94,1040 5.185,1041 1.854,1042 6.028,1043 6.031,1044 4.691,1045 5.17,1046 2.639,1047 6.79,1048 4.617,1049 6.345,1050 1.555,1051 7.548,1052 5.063,1053 4.111,1054 4.832,1055 1.847,1056 7.579,1057 4.007,1058 7.621,1059 1.477,1060 9.17,1061 3.384,1062 6.225,1063 7.26,1064 3.582,1065 10.702,1066 6.083,1067 8.932,1068 1.414,1069 10.856,1070 3.117,1071 6.494,1072 7.758,1073 3.603,1074 12.364,1075 6.339,1076 10.279,1077 1.256,1078 12.584,1079 3.022,1080 8.034,1081 9.654,1082 4.922,1083 15.001,1084 7.849,1085 11.65,1086 1.2,1087 14.343,1088 2.993,1089 8.733,1090 10.564,1091 5.291,1092 17.056,1093 8.548,1094 13.043,1095 1.024,1096 16.125,1097 2.61,1098 10.027,1099 12.222,1100 6.39,1101 19.532,1102 9.822,1103 3.215,1104 0.844,1105 17.926,1106 2.069,1107 10.949,1108 13.353,1109 6.93,1110 21.772,1111 10.748,1112 2.774,1113 11.061,1114 19.743,1115 1.759,1116 12.14,1117 14.891,1118 7.902,1119 24.195,1120 11.927,1121 2.643,1122 8.529,1123 21.573,1124 4.198,1125 13.176,1126 16.145,1127 8.539,1128 26.521,1129 12.966,1130 2.511,1131 8.085,1132 23.413,1133 3.688,1134 14.331,1135 17.623,1136 9.436,1137 28.927,1138 14.113,1139 2.274,1140 7.165,1141 25.264,1142 3.676,1143 15.424,1144 18.947,1145 10.13,1146 31.293,1147 15.207,1148 2.232,1149 6.912,1150 27.123,1151 2.965,1152 16.569,1153 20.393,1154 10.981,1155 33.695,1156 16.348,1157 2.01,1158 6.064,1159 28.99,1160 2.899,1161 17.693,1162 21.758,1163 11.71,1164 36.079,1165 17.469,1166 25368,1167 39986,1168 27.622,1169 48.228,1170 59.304,1171 61.725,1172 61.188,1173 58.821,1174 58.765,1175 73.932,1176 10.723,1177 159.909,1178 56.664,1179 5.491,1180 5.692,1181 6.684,1182 5.302,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.18,1188 17.786,1189 1.446,1190 1.505,1191 1.492,1192 1.435,1193 1.433,1194 1.803,1195 0.262,1196 3.9,1197 1.382,1198 4.051,1199 4.06,1200 4.015,1201 3.966,1202 7.435,1203 3.975,1204 3.944,1205 3.974,1206 3.882,1207 3.859,1208 7.427,1209 3.859,1210 3.782,1211 3.812,1212 3.716,1213 3.711,1214 4.947,1215 3.708,1216 3.716,1217 3.781,1218 3.591,1219 3.548,1220 4.813,1221 3.542,1222 3.697,1223 3.759,1224 3.551,1225 3.541,1226 4.708,1227 3.531,1228 3.506,1229 3.577,1230 3.331,1231 3.346,1232 4.384,1233 3.328,1234 3.415,1235 3.466,1236 3.298,1237 3.136,1238 4.302,1239 3.171,1240 3.261,1241 3.32,1242 3.16,1243 3.076,1244 4.231,1245 3.093,1246 0.111,1247 0.09,1248 0.165,1249 0.103,1250 0.078,1251 4.553,1252 0.102,1253 3.692,1254 0.053,1255 6.774,1256 0.27,1257 4.203,1258 0.078,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.059,1267 2.084,1268 1.3,1269 2.074,1270 1.913,1271 1.887,1272 2.04,1273 2.031,1274 1.254,1275 2.035,1276 1.775,1277 1.752,1278 1.972,1279 1.916,1280 1.167,1281 1.931,1282 1.703,1283 1.635,1284 1.934,1285 1.884,1286 1.112,1287 1.905,1288 1.688,1289 1.62,1290 1.89,1291 1.846,1292 1.099,1293 1.863,1294 1.524,1295 1.454,1296 1.813,1297 1.718,1298 0.972,1299 1.755,1300 1.315,1301 1.255,1302 1.609,1303 1.62,1304 0.755,1305 1.611,1306 1.223,1307 1.163,1308 1.511,1309 1.466,1310 0.705,1311 1.484,1312 4.419,1314 5.7,1316 7.18,1318 8.763,1320 10.408,1322 4.242,1328 7.573,1329 2.774,1330 17.376,1333 2.37,1340 45.572,1341 106.193,1342 244.598,1343 342.916,1344 408.48,1345 431.99,1346 431.99,1347 81.597,1348 8.299,1349 81.01,1350 81.01,1351 24,1352 12.683,1353 4.392,1354 3.585,1355 68.065,1356 230,1357 256,1358 0.139,1359 279.928,1360 499.63,1361 674.784,1362 59835,1364 26.744,1365 0.704,1366 0.584,1367 26.744,1368 22.203,1369 18.567,1370 0.453,1371 0.327,1372 13.255,1373 17.884,1374 12.942,1375 10.826,1376 18.567,1377 13.424,1378 15.816,1379 0.293,1380 0.174,1381 15.816,1382 9.381,1383 12.84,1384 0.186,1385 0.091,1386 12.84,1387 6.291,1388 10.923,1389 0.121,1390 0.049,1391 10.923,1392 4.411,1393 8.645,1394 0.077,1395 0.026,1396 8.645,1397 2.915,1398 0.229,1399 116.166,1400 0.19,1401 35.522,1402 0.352,1403 190,1404 566.656,1405 210.41,1406 534.27,1407 728.79,1408 502,1409 218,1410 535.076,1411 237.778,1412 534.245,1413 784.09,1414 504,1415 7.155}
{0 CHEMBL128471,1 1.488,2 16.4,3 4.668,4 21.793,5 135.712,6 7.501,7 0.474,8 4.233,9 4.335,10 3.804,11 3.768,12 5.365,13 3.757,14 4.752,15 4.909,16 4.133,17 4.122,18 5.893,19 4.095,20 4.98,21 5.153,22 4.181,23 4.246,24 6.048,25 4.197,26 5.053,27 5.26,28 4.13,29 4.216,30 6.139,31 4.148,32 4.979,33 5.18,34 4.055,35 4.207,36 6.018,37 4.125,38 5.02,39 5.244,40 4.002,41 4.181,42 6.032,43 4.083,44 4.944,45 5.163,46 3.89,47 4.106,48 5.929,49 4.004,50 4.872,51 5.091,52 3.796,53 4.025,54 5.831,55 3.915,56 0.037,57 0.838,58 12.437,59 5.962,60 8.283,61 7.316,62 0.416,63 1.34,64 23.855,65 9.413,66 37.21,67 11.947,68 0.366,69 1.578,70 31.394,71 12.437,72 45.481,73 15.51,74 0.751,75 1.654,76 36.18,77 12.964,78 75.377,79 16.781,80 0.419,81 1.588,82 32.209,83 12.514,84 53.831,85 16.281,86 0.526,87 1.619,88 34.941,89 13.038,90 66.311,91 17.337,92 0.524,93 1.518,94 32.241,95 11.833,96 59.624,97 15.537,98 0.423,99 1.402,100 29.827,101 11.176,102 49.986,103 14.764,104 20,105 51,106 0.237,107 0.554,108 0.746,109 0.859,110 0.887,111 0.887,112 3.588,113 0.904,114 -4.34,115 -4.27,116 -4.03,121 44.4,123 1,126 2,127 3,137 1,140 1,144 12,145 3,146 3,159 1,161 1,176 12,179 1,180 13,183 2,187 15,192 9,200 9,205 3,206 11,211 2,214 9,218 1,219 6,224 2,227 9,231 1,232 9,237 1,239 9,243 1,244 7,247 1,251 7,255 1,256 5,264 7,268 1,269 3,274 1,277 8,281 2384,282 23.817,283 23.817,284 23.817,285 23.817,286 23.817,287 21.227,288 28.551,289 14.373,290 24.332,291 18.753,292 18.753,293 18.753,294 18.753,295 18.753,296 14.713,297 37.482,298 6.847,299 19.523,300 4.489,301 2.495,302 1.29,303 0.576,304 0.405,305 0.405,306 4.285,312 1,313 1235,314 4.123,318 471.832,322 179.3,325 2.389,326 33.469,329 1,330 0.67,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.83,337 76,338 574,339 4.471,340 3.66,341 6.533,342 4.095,343 3.117,344 4.09,345 2.186,346 10.305,347 3.055,348 4.105,349 3.601,350 6.072,351 3.723,352 2.761,353 3.688,354 0.916,355 8.79,356 2.667,357 4.104,358 3.036,359 5.681,360 3.696,361 2.713,362 3.674,363 0.86,364 7.996,365 2.66,366 3.725,367 2.985,368 5.385,369 3.384,370 2.454,371 3.102,372 0.86,373 7.001,374 2.29,375 3.671,376 2.886,377 5.29,378 3.341,379 2.38,380 2.885,381 0.366,382 6.814,383 2.256,384 3.378,385 2.633,386 4.931,387 3.115,388 2.16,389 2.583,390 0.172,391 5.596,392 2.042,393 3.297,394 2.51,395 4.861,396 2.834,397 1.878,398 2.514,400 5.46,401 1.777,402 3.203,403 2.166,404 4.584,405 2.788,406 1.813,407 2.36,409 4.811,410 1.757,411 3.079,412 1.947,413 4.536,414 2.753,415 1.78,416 2.166,418 4.656,419 1.718,420 2.742,421 1.627,422 3.794,423 2.338,424 1.383,425 1.823,427 3.039,428 1.314,429 2.662,430 1.467,431 3.574,432 2.24,433 1.245,434 1.732,436 2.888,437 1.234,438 2.508,439 1.275,440 3.483,441 2.167,442 1.178,443 1.5,445 2.596,446 1.161,447 2.5,448 1.154,449 3.46,450 2,451 1,452 1.457,454 2.366,455 1,456 2.394,457 1.101,458 3.247,459 1.942,460 0.954,461 1.346,463 2.136,464 0.936,465 1.551,466 1,467 3,468 1.351,469 0.432,470 0.465,472 1.003,473 0.393,474 16.467,475 0.47,476 0.746,477 0.021,478 46.25,479 1.321,480 24,481 0.686,482 22.25,483 0.636,484 27.928,485 0.798,486 37.533,487 0.596,488 37.895,489 1.083,490 9.616,491 0.275,492 7.396,493 0.211,494 0.101,496 0.298,501 0.776,502 1.275,503 0.767,504 1.126,505 0.595,506 0.972,507 0.898,508 0.925,509 0.882,510 0.933,511 0.56,512 0.893,513 1.21,514 1.091,515 1.012,516 1.084,517 0.902,518 1.026,519 1.129,520 0.906,521 0.98,522 0.902,523 1.015,524 0.913,525 1.004,526 1.066,527 1.032,528 1.074,529 1.025,530 1.063,531 0.953,532 1.011,533 0.976,534 1.001,535 0.871,536 0.997,537 1.091,538 0.96,539 1.118,540 1.01,541 1.038,542 1.06,543 1.032,544 1.106,545 1.119,546 1.117,547 0.908,548 1.135,549 7,550 0.157,551 2.889,552 2.125,553 1.671,554 1.083,555 0.69,556 0.425,557 0.287,558 0.138,559 21516,560 59602,561 2.075,562 44.4,564 25,567 1,570 2,572 1.76,573 1.963,574 3.974,575 -0.401,582 93.747,583 1.488,584 3.482,585 4.687,586 5.402,587 5.572,588 5.572,589 3.383,590 4.901,591 5.103,592 4.161,593 2475.57,594 8.917,595 42464.6,600 376.569,601 1.316,602 5.07,603 0.184,604 0.006,605 0.057,606 0.041,607 0.035,608 0.024,609 0.016,610 0.011,611 0.009,612 0.005,613 0.387,614 0.17,615 0.88,616 0.944,617 195.584,618 -0.025,619 -0.146,620 0.056,621 -0.081,622 -0.045,623 -0.011,624 0.082,625 0.173,626 0.039,627 0.054,628 0.119,629 0.049,630 -0.12,631 -0.097,632 -0.051,633 -0.082,634 -0.039,635 -0.058,636 0.035,637 0.065,638 0.033,639 0.072,640 0.033,641 0.055,642 -0.059,643 -0.076,644 -0.068,645 -0.079,646 -0.061,647 -0.077,648 -0.002,649 -0.053,650 0.017,651 -0.013,652 0.019,653 0.001,654 -0.091,655 0.024,656 -0.125,657 -0.035,658 -0.103,659 -0.08,660 -0.071,661 -0.138,662 -0.132,663 -0.133,664 -0.086,665 -0.145,666 2.156,667 5.525,668 0.629,669 44.118,670 1.005,671 1.118,672 3.11,673 9.672,674 0.67,675 3.664,676 3.951,677 4.174,678 4.419,679 4.644,680 4.71,681 4.812,682 4.905,683 4.956,684 4.934,685 9.464,686 0.642,687 472.58,688 3.664,689 5.187,690 6.014,691 6.872,692 7.716,693 8.582,694 9.434,695 10.306,696 11.163,697 12.038,698 3.2,701 1,705 1,715 12,720 6,722 18,727 1,737 1,739 2,741 63,743 21,744 3,745 38,747 66,748 28,749 18,750 6,751 12,752 3,756 4,757 5,770 1,772 22,773 6,777 3,782 2,784 1,786 3,793 28,794 7,795 1,796 7,802 2,808 0.75,809 5,829 4,833 1,849 2,855 1,859 3,864 2,868 35,876 4,877 1,878 3,881 1,893 7.9,896 2,898 3,901 17.833,902 11.867,903 7.833,904 3.678,907 3.519,908 1.437,909 0.97,910 8.322,911 11.57,912 3.932,913 4.472,914 4.985,915 5.522,916 6.042,917 6.229,918 6.547,919 6.866,920 7.141,921 7.333,922 0.909,923 52,924 12.935,926 5.389,927 0.026,929 7.786,931 24.543,933 19.522,936 2.286,937 80,941 317.82,942 193.749,943 21.135,945 83.29,948 193.749,949 401.109,950 21.135,951 16.793,952 29.349,953 123.191,954 60.667,955 61.411,956 6.763,957 317.82,959 317.82,960 214.884,961 83.29,964 294.278,965 106.832,968 32.473,969 167.691,970 14.72,972 317.82,973 104.425,974 193.749,977 317.82,978 53.765,979 143.108,980 18.011,981 83.29,982 317.82,983 104.425,984 193.749,986 0.57,987 0.323,988 0.172,989 0.096,990 22,991 10,992 0.152,993 10,994 1,995 1.091,996 4.747,997 308.29,998 0.091,999 22,1000 175.525,1005 24.676,1006 11.804,1007 6.796,1009 104.425,1010 22.331,1015 4.105,1017 18.011,1018 615.993,1019 50,1024 23.922,1026 1.522,1028 -0.036,1031 63.327,1032 70.441,1034 0.249,1035 0.583,1036 0.784,1037 0.904,1038 0.932,1039 0.932,1040 5.15,1041 1.813,1042 5.974,1043 5.46,1044 4.635,1045 5.159,1046 2.639,1047 6.727,1048 4.561,1049 6.331,1050 1.78,1051 7.493,1052 4.811,1053 4.111,1054 4.82,1055 1.847,1056 7.486,1057 4.007,1058 7.613,1059 1.383,1060 9.108,1061 4.656,1062 6.172,1063 7.259,1064 3.582,1065 10.571,1066 6.031,1067 8.927,1068 1.245,1069 10.78,1070 3.039,1071 6.447,1072 7.705,1073 3.603,1074 12.163,1075 6.284,1076 10.271,1077 1.178,1078 12.49,1079 2.888,1080 7.964,1081 9.628,1082 4.922,1083 14.754,1084 7.773,1085 11.636,1086 1,1087 14.227,1088 2.596,1089 8.638,1090 10.473,1091 5.291,1092 16.727,1093 8.429,1094 13.019,1095 0.954,1096 15.985,1097 2.366,1098 9.915,1099 12.15,1100 6.39,1101 19.137,1102 9.685,1103 3.117,1104 0.432,1105 17.758,1106 2.136,1107 10.799,1108 13.22,1109 6.93,1110 21.29,1111 10.553,1112 2.761,1113 10.305,1114 19.545,1115 1.003,1116 11.97,1117 14.765,1118 7.902,1119 23.635,1120 11.706,1121 2.713,1122 8.79,1123 21.343,1124 4.09,1125 12.964,1126 15.965,1127 8.539,1128 25.873,1129 12.684,1130 2.454,1131 7.996,1132 23.15,1133 3.688,1134 14.091,1135 17.437,1136 9.436,1137 28.197,1138 13.795,1139 2.38,1140 7.001,1141 24.966,1142 3.674,1143 15.142,1144 18.714,1145 10.13,1146 30.478,1147 14.83,1148 2.16,1149 6.814,1150 26.788,1151 3.102,1152 16.256,1153 20.147,1154 10.981,1155 32.796,1156 15.928,1157 1.878,1158 5.596,1159 28.617,1160 2.885,1161 17.338,1162 21.469,1163 11.71,1164 35.099,1165 16.993,1166 20472,1167 34234,1168 25.542,1169 42.182,1170 55.716,1171 57.992,1172 56.745,1173 55.228,1174 55.262,1175 71.587,1176 10.723,1177 152.03,1178 53.208,1179 5.405,1180 5.66,1181 6.335,1182 5.197,1183 5.117,1184 7.09,1185 3.889,1186 17.229,1187 5.055,1188 16.687,1189 1.466,1190 1.526,1191 1.493,1192 1.453,1193 1.454,1194 1.884,1195 0.282,1196 4.001,1197 1.4,1198 4.031,1199 4.042,1200 3.991,1201 3.947,1202 7.435,1203 3.954,1204 3.935,1205 3.962,1206 3.875,1207 3.854,1208 7.428,1209 3.854,1210 3.854,1211 3.878,1212 3.79,1213 3.795,1214 4.939,1215 3.791,1216 3.676,1217 3.737,1218 3.551,1219 3.494,1220 4.813,1221 3.495,1222 3.532,1223 3.591,1224 3.448,1225 3.326,1226 4.749,1227 3.338,1228 3.46,1229 3.49,1230 3.383,1231 3.215,1232 4.52,1233 3.259,1234 3.306,1235 3.376,1236 3.142,1237 3.115,1238 4.32,1239 3.111,1240 3.032,1241 3.085,1242 2.94,1243 2.85,1244 4.226,1245 2.861,1246 0.118,1247 0.096,1248 0.172,1249 0.108,1250 0.082,1251 4.471,1252 0.108,1253 3.66,1254 0.058,1255 6.533,1256 0.271,1257 4.095,1258 0.08,1259 3.117,1260 4.09,1261 2.186,1262 10.305,1263 3.055,1264 1.968,1265 1.957,1266 2.054,1267 2.067,1268 1.254,1269 2.059,1270 1.91,1271 1.885,1272 2.032,1273 2.023,1274 1.147,1275 2.026,1276 1.854,1277 1.832,1278 1.964,1279 1.941,1280 1.113,1281 1.951,1282 1.646,1283 1.582,1284 1.878,1285 1.852,1286 1.044,1287 1.861,1288 1.417,1289 1.39,1290 1.691,1291 1.733,1292 0.782,1293 1.718,1294 1.397,1295 1.332,1296 1.636,1297 1.612,1298 0.681,1299 1.616,1300 1.301,1301 1.223,1302 1.519,1303 1.498,1304 0.584,1305 1.512,1306 1.004,1307 0.935,1308 1.354,1309 1.265,1310 0.497,1311 1.281,1312 4.344,1314 5.638,1316 7.124,1318 8.7,1320 10.327,1322 3.555,1328 2.88,1329 2.437,1330 17.108,1333 2.175,1340 40.465,1341 93.747,1342 219.386,1343 295.284,1344 340.304,1345 351.059,1346 351.059,1347 66.383,1348 8.051,1349 81.01,1350 81.01,1351 24,1352 12.582,1353 4.459,1354 3.7,1355 60.053,1356 204,1357 194,1358 0.14,1359 248.223,1360 445.09,1361 597.425,1362 43308,1364 24.623,1365 0.704,1366 0.566,1367 24.623,1368 19.822,1369 17.012,1370 0.448,1371 0.301,1372 11.27,1373 16.305,1374 10.968,1375 9.149,1376 17.012,1377 11.448,1378 14.983,1379 0.294,1380 0.161,1381 14.983,1382 8.226,1383 12.096,1384 0.189,1385 0.086,1386 12.096,1387 5.477,1388 9.974,1389 0.122,1390 0.046,1391 9.974,1392 3.75,1393 7.985,1394 0.078,1395 0.024,1396 7.985,1397 2.473,1398 0.232,1399 107.025,1400 0.198,1401 33.245,1402 0.354,1403 178,1404 564.656,1405 197.743,1406 533.417,1407 723.03,1408 500,1409 204,1410 526.442,1411 222.779,1412 529.02,1413 769.49,1414 496,1415 8.244}
{0 CHEMBL128551,1 1.488,2 16.188,3 4.76,4 22.66,5 124.163,6 7.074,7 0.353,8 4.202,9 4.314,10 3.714,11 3.69,12 5.282,13 3.672,14 4.748,15 4.925,16 4.025,17 4.038,18 5.863,19 3.993,20 4.982,21 5.194,22 4.021,23 4.153,24 5.949,25 4.076,26 5.024,27 5.267,28 3.952,29 4.104,30 5.992,31 4.009,32 4.939,33 5.166,34 3.882,35 4.048,36 5.941,37 3.955,38 4.932,39 5.166,40 3.834,41 3.994,42 5.941,43 3.899,44 4.841,45 5.059,46 3.708,47 3.96,48 5.808,49 3.853,50 4.806,51 5.036,52 3.698,53 3.969,54 5.71,55 3.844,56 0.027,57 0.835,58 13.488,59 5.956,60 6.767,61 7.72,62 0.508,63 1.306,64 25.766,65 9.331,66 47.787,67 12.705,68 0.393,69 1.536,70 33.641,71 11.935,72 46.136,73 16.267,74 0.614,75 1.547,76 36.266,77 11.931,78 60.404,79 16.872,80 0.464,81 1.44,82 32.8,83 11.056,84 56.93,85 15.35,86 0.561,87 1.376,88 33.176,89 10.946,90 67.934,91 15.158,92 0.576,93 1.302,94 29.999,95 10.016,96 61.098,97 13.596,98 0.342,99 1.296,100 28.16,101 10.356,102 39.488,103 14.488,104 23,105 44,106 0.24,107 0.566,108 0.804,109 0.895,110 0.901,111 0.901,112 3.501,113 0.965,114 -4.5,115 -4.42,116 -4.17,121 40.3,122 1,123 3,126 1,127 4,137 2,144 7,145 2,146 3,160 1,161 1,176 10,179 2,180 11,183 2,185 1,187 10,192 8,197 1,200 6,205 2,206 10,211 3,214 5,218 1,219 7,224 2,227 3,231 1,232 9,237 1,239 4,243 1,244 4,247 1,251 6,255 1,256 3,264 8,268 1,269 4,274 1,277 8,281 2026,282 21.662,283 21.662,284 21.662,285 21.662,286 21.662,287 19.799,288 27.792,289 13.425,290 22.175,291 16.819,292 16.819,293 16.819,294 16.819,295 16.819,296 13.826,297 35.62,298 6.452,299 17.613,300 4.466,301 2.454,302 0.979,303 0.411,304 0.379,305 0.379,306 4.187,311 1,312 1,313 1091,314 4.359,318 331.148,322 174.045,325 2.688,326 31.178,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 70,338 518,339 4.328,340 3.665,341 6.212,342 3.923,343 2.96,344 3.97,345 2.186,346 9.341,347 2.848,348 4.105,349 3.625,350 5.683,351 3.724,352 2.762,353 3.688,354 1.674,355 8.002,356 2.661,357 3.728,358 3.02,359 5.299,360 3.395,361 2.464,362 3.057,363 0.916,364 6.852,365 2.277,366 3.683,367 2.983,368 5.269,369 3.322,370 2.374,371 2.895,372 0.86,373 6.742,374 2.246,375 3.429,376 2.655,377 4.953,378 3.142,379 2.188,380 2.652,381 0.366,382 5.782,383 2.07,384 3.382,385 2.611,386 4.886,387 3.042,388 2.062,389 2.526,390 0.172,391 5.693,392 1.993,393 3.086,394 2.168,395 4.611,396 2.798,397 1.833,398 2.171,400 4.929,401 1.76,402 2.981,403 1.817,404 4.388,405 2.551,406 1.575,407 2.108,409 4.285,410 1.541,411 2.671,412 1.784,413 3.592,414 2.53,415 1.554,416 1.739,418 3.019,419 1.495,420 2.611,421 1.646,422 3.557,423 2.322,424 1.37,425 1.605,427 2.927,428 1.297,429 2.482,430 1.276,431 3.476,432 2.169,433 1.18,434 1.446,436 2.59,437 1.165,438 2.356,439 1.049,440 3.287,441 1.784,442 0.801,443 1.156,445 1.857,446 0.781,447 1.761,448 0.987,449 2.983,450 1.656,451 0.69,452 0.717,454 1.17,455 0.661,456 1.562,457 0.762,458 2.868,459 1.332,460 0.412,461 0.452,463 0.954,464 0.375,465 1.29,466 0.703,467 2.578,468 0.842,469 -0.12,470 -0.14,472 -0.267,473 -0.112,474 14.967,475 0.468,476 0.643,477 0.02,478 38.25,479 1.195,480 18,481 0.563,482 20.25,483 0.633,484 27.558,485 0.861,486 36.033,487 0.581,488 29.775,489 0.93,490 7.67,491 0.24,492 7.86,493 0.246,494 0.111,496 0.261,501 0.784,502 1.411,503 0.826,504 1.252,505 0.589,506 1.075,507 0.786,508 1.033,509 0.913,510 1.022,511 0.466,512 0.983,513 1.098,514 1.082,515 0.993,516 1.05,517 0.801,518 1.009,519 0.984,520 0.947,521 0.929,522 0.916,523 0.871,524 0.91,525 1.106,526 1.052,527 1.043,528 1.041,529 1.162,530 1.029,531 1.157,532 1.005,533 0.999,534 0.968,535 1.038,536 0.96,537 1.333,538 0.935,539 1.239,540 0.976,541 1.303,542 1.075,543 0.819,544 1.138,545 1.05,546 1.141,547 0.761,548 1.143,549 6.5,550 0.165,551 2.222,552 1.75,553 1.409,554 0.715,555 0.525,556 0.299,557 0.267,558 0.178,559 16922,560 45237,561 2.03,562 48.4,563 5,564 20,567 1,569 2,570 2,572 1.737,573 1.92,574 3.961,575 -0.372,582 92.247,583 1.488,584 3.501,585 4.976,586 5.543,587 5.575,588 5.575,589 3.436,590 4.625,591 4.971,592 4.158,593 2062.43,594 8.652,595 33821.1,597 1,600 369.16,601 1.299,602 4.94,603 0.191,604 0.006,605 0.051,606 0.041,607 0.036,608 0.02,609 0.015,610 0.01,611 0.009,612 0.006,613 0.385,614 0.17,615 0.88,616 1.469,617 175.316,618 -0.021,619 -0.19,620 0.055,621 -0.113,622 -0.026,623 -0.029,624 0.188,625 0.09,626 0.043,627 0.001,628 0.213,629 0.001,630 -0.099,631 -0.072,632 -0.017,633 -0.046,634 -0.031,635 -0.02,636 0.019,637 0.026,638 0.068,639 0.044,640 0.015,641 0.063,642 -0.078,643 -0.056,644 -0.053,645 -0.066,646 -0.091,647 -0.056,648 -0.042,649 -0.057,650 0.01,651 -0.003,653 0.01,654 -0.185,655 0.065,656 -0.236,657 -0.006,658 -0.207,659 -0.116,660 -0.025,661 -0.137,662 -0.102,663 -0.13,664 -0.049,665 -0.134,666 2.089,667 4.822,668 0.5,669 41.559,670 1.003,671 1.127,672 3.268,673 10.679,674 0.644,675 3.555,676 3.807,677 3.97,678 4.19,679 4.382,680 4.382,681 4.382,682 4.477,683 4.431,684 4.331,685 9.337,686 0.613,687 438.57,688 3.555,689 5.056,690 5.855,691 6.693,692 7.51,693 8.356,694 9.182,695 10.031,696 10.862,697 11.714,698 3.2,701 1,705 1,715 7,720 5,722 12,737 1,739 1,741 62,743 15,744 2,745 34,747 64,748 25,749 12,750 5,751 7,752 3,756 3,757 4,763 1,770 3,772 16,773 9,777 3,782 2,784 2,786 2,793 30,794 7,795 1,796 7,802 2,808 0.667,809 5,829 3,833 1,846 1,849 2,855 1,859 2,864 2,868 32,876 7,877 1,878 3,881 1,893 8.1,896 2,898 3,901 16.667,902 11.533,903 7.278,904 3.928,907 2.658,908 1.355,909 0.94,910 9.291,911 10.151,912 3.784,913 4.263,914 4.705,915 5.212,916 5.714,917 5.86,918 6.021,919 6.308,920 6.316,921 6.089,922 0.909,923 43,924 11.84,926 4.825,927 0.026,929 7.786,931 22.615,933 17.707,936 2.286,937 73.167,940 1,941 341.362,942 157.076,943 21.135,945 83.29,948 157.076,949 424.651,950 21.135,951 17.222,952 36.524,953 85.286,954 57.481,955 58.225,956 6.763,957 341.362,959 341.362,960 178.211,961 83.29,964 294.278,965 130.374,968 48.473,969 110.785,970 18.952,972 341.362,973 104.425,974 157.076,977 341.362,978 54.568,979 105.632,980 18.011,981 83.29,982 341.362,983 104.425,984 157.076,986 0.56,987 0.304,988 0.162,989 0.091,990 17,991 8,992 0.188,993 12,994 1,995 1.125,996 4.558,997 257.042,998 0.125,999 16,1000 160,1005 23.989,1006 12.394,1007 8.086,1009 104.425,1010 13.049,1015 3.666,1017 18.011,1018 602.863,1019 43,1024 23.189,1026 3.141,1028 -0.795,1031 62.211,1032 69.856,1034 0.25,1035 0.588,1036 0.836,1037 0.931,1038 0.936,1039 0.936,1040 4.99,1041 1.575,1042 5.796,1043 4.929,1044 4.489,1045 4.949,1046 2.897,1047 6.497,1048 4.399,1049 6.143,1050 1.554,1051 7.28,1052 4.285,1053 3.892,1054 4.59,1055 1.847,1056 7.125,1057 3.755,1058 7.404,1059 1.37,1060 8.856,1061 3.019,1062 5.974,1063 6.983,1064 3.923,1065 10.182,1066 5.792,1067 8.695,1068 1.18,1069 10.486,1070 2.927,1071 6.155,1072 7.409,1073 3.603,1074 11.624,1075 5.922,1076 10.015,1077 0.801,1078 12.151,1079 2.59,1080 7.694,1081 9.301,1082 5.196,1083 14.175,1084 7.427,1085 11.357,1086 0.69,1087 13.84,1088 1.857,1089 8.278,1090 10.125,1091 5.291,1092 16.006,1093 7.961,1094 12.715,1095 0.412,1096 15.548,1097 1.17,1098 9.562,1099 11.782,1100 6.578,1101 18.356,1102 9.216,1103 2.96,1104 -0.12,1105 17.27,1106 0.954,1107 10.367,1108 12.829,1109 6.93,1110 20.385,1111 9.976,1112 2.762,1113 9.341,1114 19.005,1115 -0.267,1116 11.528,1117 14.36,1118 8.023,1119 22.653,1120 11.108,1121 2.464,1122 8.002,1123 20.751,1124 3.97,1125 12.454,1126 15.537,1127 8.539,1128 24.78,1129 11.992,1130 2.374,1131 6.852,1132 22.506,1133 3.688,1134 13.557,1135 16.996,1136 9.51,1137 27.017,1138 13.066,1139 2.188,1140 6.742,1141 24.268,1142 3.057,1143 14.548,1144 18.25,1145 10.13,1146 29.194,1147 14.017,1148 2.062,1149 5.782,1150 26.038,1151 2.895,1152 15.626,1153 19.669,1154 11.027,1155 31.421,1156 15.064,1157 1.833,1158 5.693,1159 27.814,1160 2.652,1161 16.653,1162 20.968,1163 11.71,1164 33.622,1165 16.052,1166 16462,1167 27149,1168 22.652,1169 39.943,1170 48.97,1171 50.932,1172 49.654,1173 48.452,1174 48.449,1175 60.364,1176 12.351,1177 128.287,1178 46.34,1179 5.262,1180 5.665,1181 6.122,1182 5.014,1183 4.96,1184 6.97,1185 3.889,1186 15.741,1187 4.848,1188 15.868,1189 1.44,1190 1.498,1191 1.46,1192 1.425,1193 1.425,1194 1.775,1195 0.363,1196 3.773,1197 1.363,1198 3.993,1199 4.01,1200 3.946,1201 3.902,1202 7.436,1203 3.909,1204 3.933,1205 3.955,1206 3.875,1207 3.852,1208 7.432,1209 3.853,1210 3.711,1211 3.781,1212 3.577,1213 3.543,1214 4.905,1215 3.531,1216 3.674,1217 3.736,1218 3.54,1219 3.496,1220 4.812,1221 3.498,1222 3.503,1223 3.526,1224 3.43,1225 3.345,1226 4.511,1227 3.358,1228 3.413,1229 3.463,1230 3.298,1231 3.15,1232 4.31,1233 3.177,1234 3.308,1235 3.381,1236 3.146,1237 3.092,1238 4.229,1239 3.097,1240 3.057,1241 3.117,1242 2.889,1243 2.829,1244 4.114,1245 2.829,1246 0.127,1247 0.108,1248 0.183,1249 0.115,1250 0.087,1251 4.328,1252 0.117,1253 3.665,1254 0.064,1255 6.212,1256 0.275,1257 3.923,1258 0.084,1259 2.96,1260 3.97,1261 2.186,1262 9.341,1263 2.848,1264 1.931,1265 1.92,1266 2.035,1267 2.042,1268 1.256,1269 2.036,1270 1.91,1271 1.885,1272 2.013,1273 2.019,1274 1.253,1275 2.018,1276 1.7,1277 1.63,1278 1.971,1279 1.904,1280 1.13,1281 1.926,1282 1.648,1283 1.585,1284 1.883,1285 1.848,1286 1.095,1287 1.863,1288 1.44,1289 1.414,1290 1.645,1291 1.651,1292 0.784,1293 1.641,1294 1.325,1295 1.264,1296 1.607,1297 1.609,1298 0.753,1299 1.603,1300 1.289,1301 1.209,1302 1.562,1303 1.52,1304 0.598,1305 1.539,1306 1.015,1307 0.954,1308 1.355,1309 1.297,1310 0.498,1311 1.299,1312 4.234,1314 5.501,1316 6.948,1318 8.486,1320 10.076,1322 4.11,1328 5.528,1329 2.746,1330 16.35,1333 2.184,1340 37.992,1341 92.247,1342 217.031,1343 308.489,1344 343.65,1345 345.65,1346 345.65,1347 64.772,1348 7.493,1349 81.01,1350 81.01,1351 18,1352 12.275,1353 4,1354 3.322,1355 61.795,1356 181,1357 190,1358 0.16,1359 235.622,1360 424.37,1361 566.678,1362 22478,1364 22.761,1365 0.711,1366 0.582,1367 22.761,1368 18.634,1369 15.529,1370 0.457,1371 0.322,1372 10.758,1373 14.828,1374 10.485,1375 8.788,1376 15.529,1377 10.932,1378 13.478,1379 0.306,1380 0.175,1381 13.478,1382 7.711,1383 10.206,1384 0.196,1385 0.094,1386 10.206,1387 4.909,1388 8.361,1389 0.129,1390 0.05,1391 8.361,1392 3.264,1393 6.567,1394 0.083,1395 0.026,1396 6.567,1397 2.06,1398 0.267,1399 98.022,1400 0.21,1401 31.2,1402 0.4,1403 156,1404 508.656,1405 176.297,1406 474.487,1407 635.97,1408 444,1409 174,1410 457.723,1411 192.116,1412 456.098,1413 661.14,1414 427,1415 7.854}
{0 CHEMBL12858,1 1.642,2 16.938,3 3.867,4 14.951,5 135.675,6 7.254,7 0.303,8 4.249,9 4.383,10 3.851,11 3.742,12 5.286,13 3.671,14 4.796,15 5.012,16 4.089,17 4.088,18 5.712,19 3.971,20 4.932,21 5.135,22 4.088,23 4.161,24 5.811,25 4.011,26 5.091,27 5.383,28 4.079,29 4.212,30 5.869,31 4.016,32 4.93,33 5.153,34 4.03,35 4.116,36 5.841,37 3.976,38 4.965,39 5.225,40 3.94,41 4.149,42 5.787,43 3.927,44 4.806,45 5.061,46 3.954,47 4.023,48 5.672,49 3.816,50 4.819,51 5.094,52 3.847,53 3.987,54 5.616,55 3.759,56 0.036,57 0.989,58 16.377,59 6.284,60 14.18,61 8.373,62 0.398,63 1.48,64 36.643,65 10.928,66 30.726,67 13.765,68 0.553,69 1.585,70 40.346,71 12.051,72 37.274,73 15.952,74 0.373,75 1.723,76 46.494,77 14.798,78 44.39,79 19.823,80 0.57,81 1.543,82 39.097,83 10.711,84 46.741,85 14.901,86 0.43,87 1.596,88 43.032,89 13.449,90 42.192,91 17.91,92 0.307,93 1.432,94 37.48,95 10.99,96 36.731,97 14.579,98 0.495,99 1.373,100 47.472,101 13.131,102 33.959,103 15.679,104 44,105 41,106 0.264,107 0.521,108 0.676,109 0.686,110 0.695,111 0.695,112 3.501,113 1.165,114 -2.56,115 -2.58,116 -2.52,121 33.3,126 4,127 8,144 4,154 4,160 1,161 1,176 2,179 1,180 4,183 2,184 1,191 2,192 4,197 2,200 2,206 2,209 2,214 2,219 2,224 2,232 2,235 2,237 2,244 2,249 2,255 2,256 2,259 2,261 2,264 1,269 2,272 2,274 2,281 2352,282 21.422,283 21.422,284 21.422,285 21.422,286 21.422,287 19.819,288 31.113,289 13.539,290 22.326,291 16.348,292 16.348,293 16.348,294 16.348,295 16.348,296 13.812,297 37.269,298 6.475,299 17.692,300 4.403,301 2.797,302 1.834,303 1.773,304 1.712,305 1.712,306 4.17,312 1,313 1107,314 5,317 239.014,325 2.945,326 20.306,329 1,330 0.67,331 0.83,332 1,333 1,334 0.67,335 0.5,336 0.81,337 69,338 542,339 4.124,340 4.25,341 5.675,342 3.75,343 2.763,344 3.735,345 3.272,346 7.971,347 2.728,348 4.124,349 4.25,350 5.675,351 3.75,352 2.763,353 3.735,354 3.272,355 7.971,356 2.728,357 3.897,358 3.927,359 5.33,360 3.396,361 2.494,362 3.147,363 1.473,364 6.936,365 2.248,366 3.372,367 3.013,368 5.03,369 3.177,370 2.243,371 2.507,372 0.981,373 6.084,374 2.097,375 3.371,376 2.997,377 5.029,378 3.176,379 2.241,380 2.507,381 0.916,382 6.084,383 2.096,384 3.322,385 2.945,386 4.338,387 2.709,388 1.806,389 1.956,390 0.916,391 4.344,392 1.634,393 2.921,394 2.692,395 4.338,396 2.695,397 1.782,398 1.956,399 0.247,400 4.342,401 1.629,402 2.916,403 2.676,404 3.746,405 2.5,406 1.577,407 1.804,408 0.172,409 3.389,410 1.429,411 2.66,412 2.25,413 3.659,414 2.401,415 1.502,416 1.665,417 0.172,418 3.191,419 1.325,420 2.582,421 2.24,422 3.288,423 1.993,424 1.118,425 1.478,427 2.051,428 0.968,429 2.217,430 1.738,431 3.285,432 1.8,433 0.906,434 1.103,436 1.992,437 0.795,438 2.211,439 1.721,440 3.191,441 1.745,442 0.76,443 1.076,445 1.733,446 0.746,447 1.906,448 1.338,449 3.142,450 1.621,451 0.692,452 0.859,454 1.628,455 0.636,456 1.859,457 1.187,458 2.775,459 1.409,460 0.528,461 0.63,463 1.068,464 0.457,465 1.231,466 0.758,467 2.532,468 0.866,469 -0.037,470 -0.039,472 -0.087,473 -0.032,474 15.733,475 0.492,476 0.629,477 0.02,478 33.25,479 1.039,480 12.5,481 0.391,482 20.75,483 0.648,484 33.562,485 1.049,486 37.067,487 0.562,488 22.671,489 0.708,490 6.079,491 0.19,492 9.377,493 0.293,494 0.153,496 0.21,501 0.97,502 1.576,503 0.827,504 1.146,505 0.619,506 1.124,507 1.223,508 0.912,509 1.296,510 1.129,511 0.518,512 0.942,513 1.406,514 1.245,515 1.205,516 1.26,517 0.943,518 1.253,519 0.657,520 0.895,521 0.809,522 0.884,523 0.486,524 0.84,525 1.836,526 1,527 1.112,528 0.951,529 1.519,530 1.035,531 0.722,532 1.139,533 1.149,534 1.205,535 1.157,536 1.157,537 0.923,538 1.175,539 1.177,540 1.161,541 1.303,542 1.084,543 0.546,544 1.08,545 1.486,546 1.377,547 0.511,548 0.976,549 6.5,550 0.13,551 1.556,552 1.764,553 0.81,554 0.758,555 0.234,556 0.3,557 0.173,558 0.199,559 17211,560 44860,561 1.961,562 51.5,564 32,567 2,572 1.737,573 1.846,574 4.018,575 0.27,582 108.339,583 1.642,584 3.247,585 4.211,586 4.271,587 4.332,588 4.332,589 3.492,590 3.914,591 4.97,592 4.261,593 2113.34,594 8.653,595 36480,600 398.93,601 1.322,602 4.934,603 0.197,604 0.004,605 0.038,606 0.05,607 0.022,608 0.022,609 0.008,610 0.011,611 0.006,612 0.007,613 0.365,614 0.33,615 0.75,616 1.215,617 177.718,618 -0.023,619 -0.303,620 0.083,621 -0.071,622 0.084,623 -0.053,624 -0.046,625 0.25,626 -0.088,627 0.015,628 0.14,629 0.064,630 -0.083,631 -0.183,632 -0.153,633 -0.191,634 -0.156,635 -0.243,636 0.113,637 0.027,638 0.175,639 0.102,640 0.184,641 0.155,642 -0.332,643 0.021,644 -0.115,645 0.026,646 -0.318,647 -0.074,648 0.061,649 -0.14,650 -0.058,651 -0.107,652 -0.099,653 -0.126,654 -0.074,655 -0.113,656 0.005,657 -0.028,658 -0.1,659 -0.067,660 0.254,661 -0.05,662 -0.043,663 -0.067,664 0.21,665 0.078,666 1.147,667 2.909,668 0.313,669 44.719,670 0.997,671 1.137,672 1.329,673 1.766,674 0.65,675 3.526,676 3.738,677 3.829,678 4.025,679 3.97,680 3.989,681 3.97,682 3.829,683 3.85,684 3.912,685 10.052,686 0.596,687 478.76,688 3.526,689 5.004,690 5.771,691 6.589,692 7.375,693 8.197,694 8.992,695 9.816,696 10.617,697 11.442,698 9.1,700 2,701 2,707 2,715 4,718 2,720 4,722 10,741 66,743 12,745 33,747 67,748 22,749 8,756 2,757 2,760 1,771 1,772 9,773 12,777 1,785 1,786 1,792 2,793 34,794 8,795 2,796 10,797 2,802 6,808 1,809 2,828 2,853 2,855 2,859 2,860 2,862 2,864 4,868 32,876 8,877 2,879 2,881 2,885 1,889 1,891 1,893 3,898 2,901 17.333,902 12.8,903 7.417,904 3.581,907 1.565,908 1.226,909 0.921,910 12.951,911 8.486,912 3.738,913 4.151,914 4.53,915 4.998,916 4.978,917 5.047,918 5.083,919 4.85,920 4.947,921 5.235,922 1,923 35,924 11.779,926 4.554,927 0.026,929 7.609,931 22.905,933 17.36,936 2.109,937 67.5,941 376.675,942 187.818,943 90.115,945 19.015,947 64.439,948 123.379,949 395.69,950 90.115,951 33.586,952 12.022,953 73.926,954 16.173,955 73.108,956 23.694,957 441.114,959 376.675,960 213.494,961 19.015,962 64.439,964 376.675,965 19.015,968 102.137,969 111.358,971 64.439,972 376.675,973 109.13,974 187.818,977 376.675,978 100.155,979 77.739,980 52.194,981 66.86,982 376.675,983 109.13,984 187.818,986 0.549,987 0.282,988 0.157,989 0.076,990 13,991 7,992 0.239,993 16,995 1,996 4.632,997 237.556,999 10,1000 128,1001 2,1005 26.847,1006 15.437,1007 11.874,1009 109.13,1010 8.129,1013 11.627,1015 3.933,1017 36.022,1018 673.623,1019 41,1027 3.833,1028 0.52,1031 65.789,1032 75.061,1034 0.272,1035 0.537,1036 0.697,1037 0.707,1038 0.717,1039 0.717,1040 4.938,1041 1.577,1042 5.694,1043 4.342,1044 4.419,1045 4.836,1046 3.967,1047 6.34,1048 4.288,1049 6.077,1050 1.502,1051 7.143,1052 3.389,1053 3.761,1054 4.369,1055 0.968,1056 6.862,1057 3.641,1058 7.32,1059 1.118,1060 8.681,1061 3.191,1062 5.849,1063 6.808,1064 6.156,1065 9.874,1066 5.638,1067 8.592,1068 0.906,1069 10.271,1070 2.051,1071 5.994,1072 7.23,1073 1.437,1074 11.223,1075 5.82,1076 9.895,1077 0.76,1078 11.894,1079 1.992,1080 7.512,1081 9.078,1082 8.504,1083 13.681,1084 7.259,1085 11.22,1086 0.692,1087 13.54,1088 1.733,1089 8.055,1090 9.937,1091 1.982,1092 15.398,1093 7.845,1094 12.561,1095 0.528,1096 15.202,1097 1.628,1098 9.311,1099 11.511,1100 10.871,1101 17.633,1102 9.04,1103 2.763,1104 -0.037,1105 16.876,1106 1.068,1107 10.068,1108 12.593,1109 2.689,1110 19.528,1111 9.832,1112 2.763,1113 7.971,1114 18.559,1115 -0.087,1116 11.195,1117 14.033,1118 13.242,1119 21.667,1120 10.917,1121 2.494,1122 7.971,1123 20.249,1124 3.735,1125 12.068,1126 15.23,1127 3.499,1128 23.649,1129 11.813,1130 2.243,1131 6.936,1132 21.944,1133 3.735,1134 13.132,1135 16.604,1136 15.613,1137 25.747,1138 12.849,1139 2.241,1140 6.084,1141 23.645,1142 3.147,1143 14.067,1144 17.86,1145 4.347,1146 27.772,1147 13.798,1148 1.806,1149 6.084,1150 25.349,1151 2.507,1152 15.1,1153 19.203,1154 17.984,1155 29.853,1156 14.812,1157 1.782,1158 4.344,1159 27.056,1160 2.507,1161 16.069,1162 20.488,1163 5.201,1164 31.901,1165 15.787,1166 17208,1167 27978,1168 21.553,1169 42.898,1170 48.172,1171 54.77,1172 47.524,1173 46.368,1174 46.351,1175 56.318,1176 22.848,1177 117.565,1178 43.034,1179 5.091,1180 6.012,1181 5.471,1182 4.876,1183 4.763,1184 6.357,1185 6.545,1186 13.549,1187 4.616,1188 18.395,1189 1.46,1190 1.66,1191 1.44,1192 1.405,1193 1.405,1194 1.707,1195 0.692,1196 3.563,1197 1.304,1198 3.966,1199 3.983,1200 4.007,1201 3.829,1202 6.832,1203 3.833,1204 3.93,1205 3.942,1206 3.968,1207 3.793,1208 5.044,1209 3.801,1210 3.723,1211 3.8,1212 3.746,1213 3.533,1214 5.025,1215 3.523,1216 3.56,1217 3.641,1218 3.713,1219 3.455,1220 4.637,1221 3.381,1222 3.549,1223 3.634,1224 3.555,1225 3.328,1226 4.277,1227 3.327,1228 3.47,1229 3.543,1230 3.359,1231 3.274,1232 4.267,1233 3.269,1234 3.343,1235 3.403,1236 3.358,1237 3.192,1238 4.048,1239 3.175,1240 3.08,1241 3.152,1242 3.085,1243 2.915,1244 3.921,1245 2.899,1246 0.125,1247 0.129,1248 0.172,1249 0.114,1250 0.084,1251 4.124,1252 0.113,1253 4.25,1254 0.099,1255 5.675,1256 0.242,1257 3.75,1258 0.083,1259 2.763,1260 3.735,1261 3.272,1262 7.971,1263 2.728,1264 1.662,1265 1.613,1266 1.869,1267 1.89,1268 1.13,1269 1.885,1270 1.648,1271 1.592,1272 1.867,1273 1.883,1274 1.103,1275 1.882,1276 1.644,1277 1.587,1278 1.819,1279 1.879,1280 1.033,1281 1.878,1282 1.596,1283 1.568,1284 1.742,1285 1.727,1286 1.032,1287 1.769,1288 1.514,1289 1.467,1290 1.68,1291 1.676,1292 0.871,1293 1.686,1294 1.415,1295 1.35,1296 1.658,1297 1.603,1298 0.853,1299 1.622,1300 1.306,1301 1.242,1302 1.531,1303 1.531,1304 0.659,1305 1.54,1306 1.276,1307 1.215,1308 1.524,1309 1.529,1310 0.657,1311 1.53,1312 4.205,1314 5.442,1315 3.045,1316 6.817,1317 5.283,1318 8.261,1319 7.248,1320 9.75,1322 8.098,1328 6.484,1329 6.388,1331 3.561,1333 4.168,1338 8.909,1339 1.849,1340 39.307,1341 108.339,1342 214.324,1343 277.91,1344 281.91,1345 285.91,1346 285.91,1347 69.799,1348 6.921,1349 92.97,1350 143.57,1351 10,1352 12.025,1353 3.7,1354 3.17,1355 77.592,1356 190,1357 172,1358 0.184,1359 257.543,1360 444.76,1361 620.166,1362 10944,1364 23.184,1365 0.724,1366 0.657,1367 23.891,1368 21.021,1369 15.457,1370 0.468,1371 0.388,1372 10.509,1373 13.736,1374 9.842,1375 8.295,1376 16.457,1377 12.815,1378 13.28,1379 0.324,1380 0.242,1381 14.276,1382 9.941,1383 9.056,1384 0.201,1385 0.135,1386 10.168,1387 6.07,1388 7.57,1389 0.138,1390 0.078,1391 8.586,1392 4.308,1393 4.89,1394 0.094,1395 0.053,1396 5.938,1397 2.781,1398 0.311,1399 107.652,1400 0.215,1401 31.622,1402 0.451,1403 148,1404 452.438,1405 203.207,1406 473.133,1407 622.75,1408 444,1409 160,1410 409.711,1411 209.141,1412 434.832,1413 613.7,1414 398,1415 6.538}
{0 CHEMBL128618,1 1.544,2 14.172,3 2.92,4 8.526,5 110.029,6 7.481,7 0.387,8 4.063,9 4.166,10 3.625,11 3.548,12 5.205,13 3.549,14 4.588,15 4.752,16 3.939,17 3.891,18 5.742,19 3.874,20 4.794,21 4.969,22 3.967,23 4.013,24 5.879,25 3.969,26 4.869,27 5.086,28 3.877,29 3.975,30 5.959,31 3.899,32 4.768,33 4.985,34 3.732,35 3.931,36 5.754,37 3.829,38 4.802,39 5.049,40 3.65,41 3.871,42 5.729,43 3.752,44 4.7,45 4.937,46 3.541,47 3.793,48 5.614,49 3.675,50 4.628,51 4.859,52 3.506,53 3.736,54 5.565,55 3.62,56 0.064,57 0.72,58 10.691,59 4.941,60 8.215,61 6.111,62 0.471,63 1.114,64 20.928,65 7.607,66 36.873,67 9.828,68 0.421,69 1.282,70 26.53,71 9.94,72 44.024,73 12.597,74 0.773,75 1.326,76 30.75,77 10.278,78 73.476,79 13.797,80 0.421,81 1.254,82 26.619,83 9.813,84 47.861,85 13.315,86 0.541,87 1.242,88 29.095,89 9.973,90 55.718,91 13.974,92 0.523,93 1.143,94 25.989,95 8.805,96 48.847,97 12.104,98 0.403,99 1.066,100 23.745,101 8.386,102 41.434,103 11.572,104 20,105 41,106 0.257,107 0.602,108 0.813,109 0.893,110 0.9,111 0.9,112 3.407,113 0.906,114 -3.05,115 -3.05,116 -2.94,121 41.5,123 1,126 2,127 3,137 1,139 1,144 7,145 2,146 3,159 1,161 1,176 6,179 1,180 12,183 2,187 8,192 7,200 4,205 3,206 8,211 2,214 5,218 1,219 3,224 2,227 3,231 1,232 6,237 1,239 2,243 1,244 4,247 1,251 1,255 1,256 3,264 3,268 1,269 2,274 1,277 5,281 1418,282 19.593,283 19.593,284 19.593,285 19.593,286 19.593,287 17.717,288 27.472,289 11.823,290 20.132,291 15.265,292 15.265,293 15.265,294 15.265,295 15.265,296 12.254,297 35.156,298 5.59,299 16.037,300 4.184,301 2.118,302 0.852,303 0.368,304 0.33,305 0.33,306 4.092,311 1,312 1,313 871,314 4,318 288.767,322 151.24,325 2.178,326 30.066,329 1,330 1,331 0.83,332 1,333 0.5,334 1,335 1,336 0.9,337 64,338 411,339 4.4,340 3.66,341 6.47,342 4.024,343 3.037,344 4.038,345 2.186,346 10.029,347 3.001,348 4.105,349 3.561,350 5.681,351 3.723,352 2.761,353 3.688,354 0.916,355 7.996,356 2.661,357 3.75,358 2.99,359 5.382,360 3.387,361 2.456,362 3.115,363 0.86,364 6.998,365 2.3,366 3.671,367 2.964,368 5.29,369 3.354,370 2.398,371 2.885,372 0.86,373 6.814,374 2.257,375 3.377,376 2.653,377 4.905,378 3.115,379 2.161,380 2.515,381 0.366,382 5.594,383 2.042,384 3.216,385 2.612,386 4.86,387 2.833,388 1.874,389 2.385,390 0.172,391 5.368,392 1.776,393 3.079,394 2.168,395 4.584,396 2.757,397 1.789,398 2.167,400 4.811,401 1.718,402 3,403 1.883,404 4.106,405 2.485,406 1.54,407 2.092,409 3.69,410 1.444,411 2.663,412 1.591,413 3.575,414 2.304,415 1.346,416 1.732,418 2.918,419 1.282,420 2.512,421 1.308,422 3.482,423 2.169,424 1.18,425 1.447,427 2.596,428 1.164,429 2.389,430 1.275,431 3.352,432 1.909,433 0.931,434 1.304,436 2.117,437 0.899,438 1.549,439 1.101,440 2.988,441 1.347,442 0.43,443 0.462,445 0.994,446 0.39,447 1.507,448 0.767,449 2.822,450 1.298,451 0.382,452 0.409,454 0.558,455 0.346,456 1.327,457 0.631,458 2.574,459 0.827,460 -0.152,461 -0.179,463 -0.385,464 -0.147,465 1.184,466 0.533,467 2.394,468 0.782,469 -0.215,470 -0.322,472 -0.498,473 -0.211,474 13.467,475 0.464,476 0.626,477 0.022,478 36.75,479 1.267,480 18,481 0.621,482 18.75,483 0.647,484 22.192,485 0.765,486 32.133,487 0.606,488 28.484,489 0.982,490 7.744,491 0.267,492 6.302,493 0.217,494 0.124,496 0.29,501 0.793,502 1.4,503 0.769,504 1.222,505 0.585,506 1.025,507 0.928,508 0.907,509 0.888,510 0.909,511 0.561,512 0.875,513 1.182,514 1.121,515 1.028,516 1.111,517 0.899,518 1.052,519 1.017,520 0.919,521 0.996,522 0.916,523 1.013,524 0.947,525 0.847,526 1.141,527 1.058,528 1.158,529 0.891,530 1.157,531 0.804,532 1.026,533 0.95,534 1.01,535 0.572,536 1.014,537 0.959,538 0.936,539 1.104,540 0.99,541 0.808,542 1.064,543 0.86,544 1.121,545 1.057,546 1.123,547 0.794,548 1.135,549 6,550 0.136,551 2.444,552 1.875,553 1.289,554 0.639,555 0.485,556 0.283,557 0.234,558 0.132,559 12647,560 38022,561 2.033,562 45.3,564 20,565 1,567 1,570 2,572 1.711,573 1.912,574 3.782,575 -0.336,576 1,577 1,582 81.824,583 1.544,584 3.61,585 4.876,586 5.36,587 5.398,588 5.398,589 3.237,590 4.789,591 4.833,592 3.977,593 1614.58,594 8.367,595 24131.2,597 1,599 1,600 303.58,601 1.358,602 4.792,603 0.194,604 0.006,605 0.06,606 0.046,607 0.036,608 0.021,609 0.017,610 0.011,611 0.01,612 0.006,613 0.406,614 0.33,615 1,616 1.064,617 152.998,618 -0.038,619 -0.213,620 0.055,621 -0.128,622 -0.037,623 -0.034,624 0.053,625 0.21,626 0.043,627 0.086,628 0.118,629 0.076,630 -0.142,631 -0.115,632 -0.074,633 -0.095,634 -0.04,635 -0.074,636 0.037,637 0.043,638 0.006,639 0.053,640 0.018,641 0.027,642 -0.038,643 -0.15,644 -0.111,645 -0.156,646 -0.073,647 -0.153,648 0.03,649 -0.092,650 0.038,651 -0.034,652 0.051,653 -0.004,654 -0.073,655 0.037,656 -0.12,657 -0.026,658 -0.081,659 -0.076,660 -0.031,661 -0.156,662 -0.089,663 -0.139,664 -0.053,665 -0.132,666 2.152,667 4.73,668 0.552,669 31.265,670 1.011,671 1.125,672 1.822,673 3.32,674 0.654,675 3.466,676 3.738,677 3.932,678 4.143,679 4.317,680 4.317,681 4.331,682 4.369,683 4.317,684 4.19,685 8.396,686 0.63,687 396.48,688 3.466,689 4.977,690 5.79,691 6.637,692 7.466,693 8.319,694 9.154,695 10.01,696 10.848,697 11.707,698 3.8,701 1,705 1,715 7,720 5,722 12,727 1,737 1,739 2,741 53,743 15,744 2,745 31,747 55,748 22,749 12,750 5,751 7,752 3,756 3,757 4,770 1,772 16,773 6,777 3,782 2,784 2,786 2,790 1,793 24,794 7,795 1,796 7,802 2,808 0.667,809 5,829 3,833 1,849 1,855 1,859 2,864 2,868 29,876 4,877 1,878 3,881 1,893 9.4,896 2,898 3,901 15.167,902 10.033,903 6.556,904 3.046,907 2.648,908 1.363,909 0.946,910 7.414,911 9.951,912 3.714,913 4.22,914 4.696,915 5.201,916 5.678,917 5.827,918 6.001,919 6.201,920 6.191,921 6.056,922 1,923 41,924 10.693,926 4.391,927 0.026,929 7.868,931 20.165,933 15.743,936 2.368,937 68.667,940 1,941 270.735,942 149.473,943 21.135,945 83.29,948 149.473,949 354.025,950 21.135,951 16.793,952 40.883,953 75.81,954 55.423,955 58.225,956 18.534,957 258.964,959 270.735,960 170.608,961 83.29,964 247.193,965 106.832,968 32.473,969 128.658,970 9.476,972 270.735,973 104.425,974 149.473,977 270.735,978 45.336,979 107.261,980 18.011,981 83.29,982 270.735,983 104.425,984 149.473,986 0.568,987 0.32,988 0.167,989 0.09,990 17,991 8,992 0.164,993 9,994 1,995 1.125,996 4.23,997 229.365,998 0.125,999 16,1000 140.881,1005 21.056,1006 10.211,1007 6.158,1009 104.425,1010 12.689,1015 3.308,1017 18.011,1018 524.633,1019 40,1024 23.046,1026 2.789,1028 -0.551,1031 53.56,1032 59.611,1034 0.27,1035 0.63,1036 0.851,1037 0.936,1038 0.942,1039 0.942,1040 4.927,1041 1.54,1042 5.746,1043 4.811,1044 4.419,1045 4.905,1046 2.639,1047 6.479,1048 4.331,1049 6.097,1050 1.346,1051 7.255,1052 3.69,1053 3.892,1054 4.59,1055 1.847,1056 7.209,1057 3.788,1058 7.371,1059 1.18,1060 8.858,1061 2.918,1062 5.938,1063 6.974,1064 3.582,1065 10.268,1066 5.779,1067 8.676,1068 0.931,1069 10.518,1070 2.596,1071 6.196,1072 7.446,1073 3.603,1074 11.834,1075 6.035,1076 10.011,1077 0.43,1078 12.215,1079 2.117,1080 7.705,1081 9.325,1082 4.922,1083 14.406,1084 7.501,1085 11.367,1086 0.382,1087 13.939,1088 0.994,1089 8.36,1090 10.197,1091 5.291,1092 16.362,1093 8.159,1094 12.741,1095 -0.152,1096 15.683,1097 0.558,1098 9.629,1099 11.843,1100 6.39,1101 18.756,1102 9.399,1103 3.037,1104 -0.215,1105 17.446,1106 -0.385,1107 10.493,1108 12.933,1109 6.93,1110 20.898,1111 10.267,1112 2.761,1113 10.029,1114 19.222,1115 -0.498,1116 11.654,1117 14.459,1118 7.902,1119 23.228,1120 11.408,1121 2.456,1122 7.996,1123 21.011,1124 4.038,1125 12.628,1126 15.673,1127 8.539,1128 25.455,1129 12.383,1130 2.398,1131 6.998,1132 22.811,1133 3.688,1134 13.743,1135 17.133,1136 9.436,1137 27.764,1138 13.485,1139 2.161,1140 6.814,1141 24.621,1142 3.115,1143 14.774,1144 18.417,1145 10.13,1146 30.031,1147 14.515,1148 1.874,1149 5.594,1150 26.438,1151 2.885,1152 15.871,1153 19.842,1154 10.981,1155 32.334,1156 15.603,1157 1.789,1158 5.368,1159 28.263,1160 2.515,1161 16.932,1162 21.168,1163 11.71,1164 34.62,1165 16.66,1166 12256,1167 21405,1168 20.572,1169 34.659,1170 44.964,1171 47.16,1172 46.219,1173 44.498,1174 44.568,1175 56.479,1176 10.723,1177 120.966,1178 42.557,1179 5.333,1180 5.66,1181 6.155,1182 5.11,1183 5.037,1184 7.038,1185 3.889,1186 16.774,1187 5.001,1188 14.76,1189 1.45,1190 1.521,1191 1.491,1192 1.435,1193 1.438,1194 1.822,1195 0.346,1196 3.902,1197 1.373,1198 3.993,1199 4.007,1200 3.951,1201 3.899,1202 7.435,1203 3.908,1204 3.932,1205 3.954,1206 3.874,1207 3.851,1208 7.428,1209 3.852,1210 3.68,1211 3.74,1212 3.557,1213 3.495,1214 4.925,1215 3.498,1216 3.534,1217 3.591,1218 3.454,1219 3.349,1220 4.813,1221 3.36,1222 3.489,1223 3.522,1224 3.4,1225 3.216,1226 4.602,1227 3.26,1228 3.31,1229 3.385,1230 3.141,1231 3.113,1232 4.323,1233 3.11,1234 3.031,1235 3.085,1236 2.901,1237 2.818,1238 4.235,1239 2.818,1240 2.977,1241 3.021,1242 2.849,1243 2.782,1244 4.122,1245 2.787,1246 0.142,1247 0.118,1248 0.209,1249 0.13,1250 0.098,1251 4.4,1252 0.13,1253 3.66,1254 0.071,1255 6.47,1256 0.324,1257 4.024,1258 0.097,1259 3.037,1260 4.038,1261 2.186,1262 10.029,1263 3.001,1264 1.926,1265 1.917,1266 2.034,1267 2.042,1268 1.254,1269 2.035,1270 1.909,1271 1.884,1272 2.002,1273 2.018,1274 1.125,1275 2.016,1276 1.648,1277 1.586,1278 1.882,1279 1.859,1280 1.084,1281 1.866,1282 1.446,1283 1.418,1284 1.691,1285 1.734,1286 0.783,1287 1.718,1288 1.402,1289 1.333,1290 1.643,1291 1.638,1292 0.681,1293 1.636,1294 1.304,1295 1.224,1296 1.578,1297 1.521,1298 0.595,1299 1.547,1300 1.004,1301 0.93,1302 1.355,1303 1.265,1304 0.497,1305 1.281,1306 0.925,1307 0.88,1308 1.208,1309 1.193,1310 0.405,1311 1.2,1312 4.143,1314 5.425,1316 6.895,1318 8.455,1320 10.066,1322 3.548,1328 2.948,1329 2.427,1330 16.293,1333 2.168,1340 33.412,1341 81.824,1342 191.341,1343 258.419,1344 284.07,1345 286.07,1346 286.07,1347 55.331,1348 7.302,1349 81.01,1350 81.01,1351 18,1352 12.263,1353 4,1354 3.322,1355 53.041,1356 150,1357 131,1358 0.169,1359 206.845,1360 372.47,1361 496.462,1362 17039,1364 20.64,1365 0.712,1366 0.569,1367 20.64,1368 16.513,1369 14.046,1370 0.453,1371 0.302,1372 9.183,1373 13.323,1374 8.935,1375 7.46,1376 14.046,1377 9.364,1378 12.284,1379 0.3,1380 0.163,1381 12.284,1382 6.67,1383 9.734,1384 0.195,1385 0.087,1386 9.734,1387 4.351,1388 7.823,1389 0.126,1390 0.047,1391 7.823,1392 2.933,1393 6.041,1394 0.082,1395 0.025,1396 6.041,1397 1.87,1398 0.279,1399 89.319,1400 0.22,1401 28.559,1402 0.424,1403 144,1404 496.656,1405 163.079,1406 461.803,1407 616.79,1408 432,1409 163,1410 440.533,1411 180.783,1412 440.129,1413 636.75,1414 411,1415 8.051}
{0 CHEMBL128863,1 1.493,2 16.353,3 4.845,4 23.474,5 130.23,6 7.429,7 0.486,8 4.219,9 4.321,10 3.781,11 3.744,12 5.331,13 3.733,14 4.751,15 4.912,16 4.119,17 4.104,18 5.872,19 4.077,20 4.988,21 5.172,22 4.183,23 4.227,24 6.045,25 4.183,26 5.042,27 5.25,28 4.136,29 4.188,30 6.167,31 4.129,32 4.957,33 5.152,34 3.978,35 4.149,36 6.022,37 4.067,38 4.952,39 5.183,40 3.888,41 4.109,42 5.901,43 3.996,44 4.894,45 5.123,46 3.771,47 4.03,48 5.811,49 3.912,50 4.835,51 5.07,52 3.706,53 3.954,54 5.74,55 3.835,56 0.037,57 0.833,58 12.513,59 5.917,60 7.77,61 7.326,62 0.412,63 1.338,64 24.207,65 9.411,66 36.056,67 12.117,68 0.393,69 1.59,70 32.342,71 12.209,72 44.515,73 15.525,74 0.739,75 1.617,76 36.016,77 12.642,78 76.797,79 16.475,80 0.542,81 1.516,82 32.22,83 11.832,84 69.297,85 15.153,86 0.475,87 1.515,88 32.673,89 12.203,90 56.704,91 16.575,92 0.482,93 1.436,94 30.899,95 11.233,96 50.708,97 15.116,98 0.421,99 1.333,100 29.362,101 10.687,102 45.903,103 14.503,104 21,105 50,106 0.239,107 0.55,108 0.754,109 0.868,110 0.903,111 0.903,112 3.56,113 0.92,114 -3.94,115 -3.9,116 -3.7,121 43.5,122 1,123 1,126 1,127 4,144 11,145 3,146 4,159 1,161 1,176 10,179 1,180 13,183 2,185 1,187 12,192 10,200 7,205 3,206 13,211 2,214 9,218 1,219 4,224 2,227 9,231 1,232 7,237 1,239 8,243 1,244 6,247 1,251 4,255 1,256 4,264 5,268 1,269 3,274 1,277 7,281 2140,282 23.162,283 23.162,284 23.162,285 23.162,286 23.162,287 20.779,288 30.132,289 14.036,290 23.702,291 18.281,292 18.281,293 18.281,294 18.281,295 18.281,296 14.559,297 39.982,298 6.654,299 19.093,300 4.461,301 2.518,302 1.243,303 0.533,304 0.315,305 0.315,306 4.258,312 1,313 1202,314 4.243,318 395.93,322 298.94,325 2.412,326 34.331,329 1,330 0.67,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.83,337 74,338 556,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 2.186,346 11.061,347 3.18,348 4.105,349 3.665,350 6.011,351 3.724,352 2.762,353 3.688,354 0.916,355 8.529,356 2.661,357 4.048,358 3,359 5.683,360 3.613,361 2.643,362 3.676,363 0.86,364 8.001,365 2.563,366 3.682,367 2.98,368 5.408,369 3.39,370 2.459,371 2.964,372 0.86,373 6.915,374 2.271,375 3.617,376 2.82,377 5.297,378 3.233,379 2.272,380 2.894,381 0.366,382 6.845,383 2.172,384 3.385,385 2.634,386 5.124,387 3.129,388 2.176,389 2.525,390 0.172,391 6.041,392 2.056,393 3.307,394 2.491,395 4.882,396 2.946,397 2.009,398 2.502,400 5.677,401 1.861,402 3.083,403 2.166,404 4.606,405 2.777,406 1.811,407 2.169,409 4.906,410 1.74,411 2.904,412 1.708,413 4.125,414 2.437,415 1.453,416 2.08,418 3.384,419 1.426,420 2.715,421 1.571,422 3.719,423 2.321,424 1.363,425 1.811,427 3.094,428 1.297,429 2.664,430 1.511,431 3.581,432 2.242,433 1.256,434 1.734,436 2.929,437 1.235,438 2.478,439 1.37,440 3.495,441 2.176,442 1.192,443 1.451,445 2.607,446 1.17,447 2.364,448 1.298,449 3.466,450 1.967,451 1,452 1.247,454 2.039,455 0.958,456 2.119,457 1.274,458 3.097,459 1.88,460 0.853,461 1.071,463 1.66,464 0.869,465 1.552,466 0.765,467 2.974,468 1.343,469 0.42,470 0.456,472 0.973,473 0.383,474 15.967,475 0.47,476 0.729,477 0.021,478 44.25,479 1.301,480 22.5,481 0.662,482 21.75,483 0.64,484 27.837,485 0.819,486 36.833,487 0.594,488 35.363,489 1.04,490 8.991,491 0.264,492 7.538,493 0.222,494 0.104,496 0.307,501 0.776,502 1.299,503 0.773,504 1.148,505 0.591,506 0.988,507 0.877,508 0.976,509 0.87,510 0.959,511 0.553,512 0.907,513 1.209,514 1.041,515 0.967,516 1.024,517 0.881,518 0.96,519 1.143,520 0.922,521 0.946,522 0.911,523 1.101,524 0.895,525 1.287,526 1.026,527 1.17,528 1.033,529 1.483,530 1.076,531 0.835,532 1.053,533 0.984,534 1.045,535 0.667,536 1.045,537 0.986,538 1.007,539 1.124,540 1.063,541 0.804,542 1.11,543 0.95,544 1.055,545 1.052,546 1.059,547 0.789,548 1.076,549 6.5,550 0.165,551 2.889,552 2.5,553 1.853,554 0.813,555 0.645,556 0.345,557 0.287,558 0.158,559 20167,560 54688,561 2.077,562 45.2,564 22,567 1,569 3,570 2,572 1.752,573 1.962,574 3.957,575 -0.392,582 92.563,583 1.493,584 3.436,585 4.711,586 5.422,587 5.64,588 5.64,589 3.385,590 4.852,591 5.062,592 4.148,593 2327.11,594 8.826,595 39152.2,600 369.16,601 1.333,602 5.026,603 0.176,604 0.006,605 0.058,606 0.048,607 0.039,608 0.02,609 0.017,610 0.011,611 0.01,612 0.006,613 0.389,614 0.33,615 0.88,616 1.111,617 188.591,618 -0.025,619 -0.151,620 0.058,621 -0.083,622 -0.041,623 -0.011,624 0.091,625 0.127,626 0.056,627 0.036,628 0.119,629 0.045,630 -0.115,631 -0.033,632 0.005,633 -0.03,634 -0.026,635 0.006,636 0.047,637 0.048,638 0.07,639 0.06,640 0.075,641 0.069,642 -0.164,643 -0.039,644 -0.183,645 -0.048,646 -0.197,647 -0.11,648 0.021,649 -0.09,650 -0.007,651 -0.053,652 0.025,653 -0.04,654 -0.064,655 -0.025,656 -0.139,657 -0.088,658 -0.082,659 -0.124,660 -0.042,661 -0.097,662 -0.061,663 -0.079,664 -0.044,665 -0.078,666 2.119,667 5.654,668 0.588,669 41.405,670 1.005,671 1.12,672 2.715,673 7.371,674 0.664,675 3.638,676 3.932,677 4.174,678 4.443,679 4.663,680 4.745,681 4.844,682 4.963,683 5.004,684 4.942,685 9.381,686 0.637,687 460.57,688 3.638,689 5.165,690 5.999,691 6.866,692 7.718,693 8.595,694 9.457,695 10.339,696 11.208,697 12.095,698 3.2,701 1,705 1,715 11,720 7,722 18,727 1,737 1,739 2,741 62,743 20,744 3,745 37,747 65,748 27,749 18,750 7,751 11,752 1,756 4,757 7,763 1,770 1,772 20,773 7,777 2,782 2,786 2,793 28,794 7,795 1,796 7,802 2,808 0.5,809 5,829 4,833 2,855 1,859 2,864 2,868 34,876 5,877 1,878 3,881 1,893 8.1,896 2,898 3,901 17.333,902 11.7,903 7.611,904 3.837,907 3.524,908 1.434,909 0.969,910 7.961,911 11.652,912 3.892,913 4.437,914 4.965,915 5.523,916 6.042,917 6.258,918 6.588,919 6.943,920 7.211,921 7.386,922 0.909,923 52,924 12.593,926 5.279,927 0.026,929 7.779,931 23.945,933 19.174,936 2.279,937 77.5,940 1,941 317.82,942 177.331,943 21.135,945 83.29,948 177.331,949 401.109,950 21.135,951 17.222,952 31.455,953 104.239,954 55.423,955 66.654,956 6.763,957 317.82,959 317.82,960 198.466,961 83.29,964 258.964,965 142.145,968 43.404,969 155.062,972 317.82,973 104.425,974 177.331,977 317.82,978 55.87,979 124.585,980 18.011,981 83.29,982 317.82,983 104.425,984 177.331,986 0.569,987 0.325,988 0.181,989 0.096,990 22,991 10,992 0.154,993 10,994 2,995 1.2,996 4.665,997 297.347,998 0.2,999 20,1000 172.974,1005 23.959,1006 11.298,1007 6.246,1009 104.425,1010 20.087,1015 4.464,1017 18.011,1018 599.575,1019 48,1024 24.259,1028 -0.489,1031 62.327,1032 69.441,1034 0.251,1035 0.577,1036 0.791,1037 0.911,1038 0.947,1039 0.947,1040 5.115,1041 1.811,1042 5.964,1043 5.677,1044 4.615,1045 5.124,1046 2.639,1047 6.739,1048 4.537,1049 6.295,1050 1.453,1051 7.495,1052 4.906,1053 4.111,1054 4.832,1055 1.847,1056 7.551,1057 4.007,1058 7.581,1059 1.363,1060 9.126,1061 3.384,1062 6.168,1063 7.24,1064 3.582,1065 10.667,1066 6.025,1067 8.901,1068 1.256,1069 10.818,1070 3.094,1071 6.479,1072 7.753,1073 3.603,1074 12.336,1075 6.327,1076 10.253,1077 1.192,1078 12.55,1079 2.929,1080 7.992,1081 9.645,1082 4.922,1083 14.976,1084 7.811,1085 11.629,1086 1,1087 14.312,1088 2.607,1089 8.712,1090 10.561,1091 5.291,1092 17.037,1093 8.534,1094 13.025,1095 0.853,1096 16.097,1097 2.039,1098 9.995,1099 12.218,1100 6.39,1101 19.517,1102 9.797,1103 3.215,1104 0.42,1105 17.9,1106 1.66,1107 10.928,1108 13.351,1109 6.93,1110 21.761,1111 10.735,1112 2.762,1113 11.061,1114 19.719,1115 0.973,1116 12.115,1117 14.89,1118 7.902,1119 24.186,1120 11.911,1121 2.643,1122 8.529,1123 21.551,1124 4.198,1125 13.157,1126 16.144,1127 8.539,1128 26.514,1129 12.956,1130 2.459,1131 8.001,1132 23.394,1133 3.688,1134 14.311,1135 17.622,1136 9.436,1137 28.922,1138 14.103,1139 2.272,1140 6.915,1141 25.247,1142 3.676,1143 15.408,1144 18.946,1145 10.13,1146 31.289,1147 15.2,1148 2.176,1149 6.845,1150 27.108,1151 2.964,1152 16.555,1153 20.393,1154 10.981,1155 33.692,1156 16.341,1157 2.009,1158 6.041,1159 28.976,1160 2.894,1161 17.68,1162 21.757,1163 11.71,1164 36.077,1165 17.464,1166 19147,1167 31699,1168 24.849,1169 41.182,1170 54.424,1171 56.681,1172 55.822,1173 53.819,1174 53.764,1175 68.934,1176 10.723,1177 149.323,1178 51.684,1179 5.487,1180 5.692,1181 6.546,1182 5.302,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.18,1188 16.357,1189 1.471,1190 1.532,1191 1.509,1192 1.455,1193 1.453,1194 1.863,1195 0.29,1196 4.036,1197 1.397,1198 4.049,1199 4.056,1200 4.014,1201 3.965,1202 7.435,1203 3.974,1204 3.938,1205 3.966,1206 3.877,1207 3.856,1208 7.427,1209 3.856,1210 3.781,1211 3.807,1212 3.716,1213 3.711,1214 4.947,1215 3.708,1216 3.664,1217 3.726,1218 3.543,1219 3.486,1220 4.813,1221 3.485,1222 3.603,1223 3.674,1224 3.479,1225 3.365,1226 4.708,1227 3.377,1228 3.364,1229 3.428,1230 3.241,1231 3.153,1232 4.385,1233 3.163,1234 3.212,1235 3.237,1236 3.1,1237 3.039,1238 4.307,1239 3.048,1240 3.177,1241 3.2,1242 3.043,1243 2.912,1244 4.209,1245 2.949,1246 0.123,1247 0.1,1248 0.183,1249 0.114,1250 0.087,1251 4.553,1252 0.113,1253 3.692,1254 0.059,1255 6.774,1256 0.299,1257 4.203,1258 0.086,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.058,1267 2.084,1268 1.254,1269 2.073,1270 1.91,1271 1.885,1272 2.031,1273 2.023,1274 1.164,1275 2.027,1276 1.775,1277 1.751,1278 1.911,1279 1.892,1280 1.112,1281 1.898,1282 1.639,1283 1.573,1284 1.857,1285 1.833,1286 0.988,1287 1.839,1288 1.548,1289 1.47,1290 1.84,1291 1.794,1292 0.974,1293 1.812,1294 1.328,1295 1.258,1296 1.632,1297 1.578,1298 0.78,1299 1.598,1300 1.127,1301 1.11,1302 1.358,1303 1.409,1304 0.498,1305 1.372,1306 1.072,1307 1.042,1308 1.266,1309 1.313,1310 0.415,1311 1.294,1312 4.317,1314 5.617,1316 7.112,1318 8.708,1320 10.362,1322 3.878,1328 3.433,1329 2.615,1330 17.072,1333 2.181,1340 39.465,1341 92.563,1342 213.053,1343 292.087,1344 336.141,1345 349.65,1346 349.65,1347 65.659,1348 8.128,1349 81.01,1350 81.01,1351 24,1352 12.63,1353 4.392,1354 3.585,1355 57.544,1356 198,1357 192,1358 0.139,1359 241.559,1360 430.43,1361 581.163,1362 48261,1364 23.916,1365 0.703,1366 0.57,1367 23.916,1368 19.375,1369 16.529,1370 0.447,1371 0.307,1372 11.175,1373 15.831,1374 10.893,1375 9.074,1376 16.529,1377 11.348,1378 14.56,1379 0.291,1380 0.162,1381 14.56,1382 8.092,1383 11.777,1384 0.184,1385 0.084,1386 11.777,1387 5.385,1388 10.16,1389 0.121,1390 0.045,1391 10.16,1392 3.781,1393 7.863,1394 0.075,1395 0.023,1396 7.863,1397 2.452,1398 0.231,1399 104.022,1400 0.201,1401 32.519,1402 0.35,1403 174,1404 550.656,1405 194.077,1406 518.143,1407 704.35,1408 486,1409 201,1410 515.723,1411 220.278,1412 516.048,1413 755.71,1414 485,1415 7.886}
{0 CHEMBL1288821,1 1.603,2 10.171,3 3.619,4 13.097,5 149.161,6 7.995,7 0.391,8 4.379,9 4.47,10 4.005,11 3.887,12 5.563,13 3.899,14 4.949,15 5.088,16 4.435,17 4.344,18 6.111,19 4.353,20 5.176,21 5.289,22 4.684,23 4.611,24 6.355,25 4.607,26 5.471,27 5.62,28 4.799,29 4.788,30 6.642,31 4.763,32 5.631,33 5.81,34 4.795,35 4.843,36 6.826,37 4.798,38 5.611,39 5.806,40 4.787,41 4.83,42 6.747,43 4.772,44 5.609,45 5.803,46 4.787,47 4.731,48 6.862,49 4.704,50 5.524,51 5.706,52 4.684,53 4.587,54 6.86,55 4.573,56 0.231,57 0.985,58 12.766,59 6.623,60 13.224,61 7.675,62 0.753,63 1.631,64 27.655,65 11.197,66 81.829,67 13.162,68 0.717,69 2.117,70 30.959,71 14.786,72 60.326,73 17.302,74 0.91,75 2.722,76 45.689,77 19.461,78 104.04,79 23.521,80 1.672,81 3.041,82 59.739,83 22.21,84 201.313,85 27.196,86 1.361,87 3.013,88 58.387,89 22.704,90 138.535,91 29.584,92 1.69,93 2.852,94 60.858,95 21.289,96 209.737,97 27.031,98 2.057,99 2.483,100 57.695,101 19.074,102 261.779,103 23.245,104 107,105 72,106 0.248,107 0.575,108 0.715,109 0.781,110 0.808,111 0.826,112 3.743,113 0.848,114 -3.16,115 -3.15,116 -3.03,121 42.9,123 1,124 1,125 1,126 5,127 1,132 1,144 8,145 4,146 6,159 1,160 1,168 2,176 12,179 1,180 11,183 1,185 2,187 15,191 3,192 23,195 1,197 3,200 16,205 1,206 22,211 2,214 13,218 3,219 17,222 2,224 3,227 17,231 5,232 14,235 2,237 4,239 16,243 7,244 17,249 1,251 10,255 6,256 22,259 3,264 5,268 1,269 17,272 1,277 1,281 3528,282 27.718,283 27.718,284 27.718,285 27.718,286 27.718,287 25.135,288 41.236,289 15.221,290 28.563,291 22.315,292 22.315,293 22.315,294 22.315,295 22.315,296 17.988,297 52.848,298 6.69,299 23.248,300 4.526,301 2.417,302 1.511,303 1.082,304 0.911,305 0.797,306 4.448,313 902,314 4.472,317 248.843,318 322.277,321 295.124,325 1.468,326 66.881,329 0.5,330 0.5,331 0.67,332 0.6,333 0.5,334 0.67,335 1,336 0.63,337 91.5,338 417,339 5.225,340 4.593,341 9.168,342 5.149,343 4.159,344 4.479,345 2.612,346 20.093,347 4.117,348 4.53,349 3.857,350 7.51,351 4.245,352 3.25,353 4.162,354 2.086,355 12.968,356 3.23,357 4.325,358 3.774,359 6.499,360 3.952,361 2.98,362 3.955,363 1.277,364 10.056,365 2.904,366 4.241,367 3.275,368 6.224,369 3.806,370 2.852,371 3.85,372 0.942,373 9.213,374 2.724,375 4.084,376 3.193,377 6.129,378 3.67,379 2.705,380 3.512,381 0.86,382 8.65,383 2.6,384 3.801,385 3.082,386 6.037,387 3.479,388 2.518,389 3.148,390 0.86,391 8.446,392 2.403,393 3.643,394 2.87,395 5.813,396 3.269,397 2.306,398 2.957,399 0.86,400 7.597,401 2.218,402 3.357,403 2.622,404 5.757,405 3.027,406 2.057,407 2.576,408 0.86,409 7.121,410 1.993,411 3.221,412 2.558,413 5.307,414 2.847,415 1.856,416 2.388,417 0.357,418 5.695,419 1.839,420 3.115,421 2.255,422 5.183,423 2.831,424 1.839,425 2.215,426 0.047,427 5.459,428 1.802,429 2.919,430 2.188,431 4.912,432 2.551,433 1.614,434 2.057,436 4.785,437 1.526,438 2.896,439 2.173,440 4.515,441 2.519,442 1.575,443 1.978,445 4.127,446 1.461,447 2.835,448 1.909,449 4.432,450 2.323,451 1.38,452 1.91,454 3.731,455 1.281,456 2.669,457 1.833,458 4.327,459 2.216,460 1.217,461 1.632,463 2.962,464 1.215,465 2.337,466 1.338,467 4.026,468 2.029,469 1.044,470 1.285,472 2.893,473 1.023,474 18.867,475 0.46,476 1.261,477 0.031,478 54,479 1.317,480 26.5,481 0.646,482 27.5,483 0.671,484 43.263,485 1.055,486 44.733,487 0.639,488 55.848,489 1.362,490 10.862,491 0.265,492 8.807,493 0.215,494 0.203,495 0.053,496 0.387,501 0.652,502 1.241,503 0.684,504 1.112,505 0.525,506 0.946,507 0.973,508 0.816,509 0.726,510 0.679,511 0.547,512 0.639,513 0.733,514 1.162,515 0.817,516 1.102,517 0.718,518 1.004,519 0.901,520 1.232,521 0.967,522 1.178,523 1,524 1.105,525 1.044,526 0.988,527 1.087,528 0.996,529 1.118,530 1.041,531 0.692,532 1.09,533 0.897,534 1.085,535 0.853,536 1.057,537 0.956,538 1.01,539 0.914,540 1.019,541 1.036,542 0.964,543 1.184,544 0.952,545 1.003,546 0.948,547 1.241,548 0.937,549 10.5,550 0.439,551 7.778,552 5.903,553 4.694,554 3.266,555 1.988,556 1.589,557 1.104,558 0.524,559 21131,560 66086,561 2.061,562 41.4,563 2,564 25,567 1,569 1,572 1.819,573 1.864,574 3.275,575 -0.352,582 112.207,583 1.603,584 3.712,585 4.618,586 5.047,587 5.218,588 5.333,589 2.72,590 5.016,591 5.322,592 3.477,593 2851.03,594 9.491,595 44758.6,600 429.05,601 1.754,602 5.248,603 0.228,604 0.01,605 0.108,606 0.066,607 0.048,608 0.034,609 0.021,610 0.017,611 0.014,612 0.008,613 0.555,614 0.33,615 0.63,616 0.981,617 221.96,618 0.048,619 -0.068,620 0.069,621 -0.043,622 -0.009,623 0.002,624 -0.076,625 0.274,626 0.149,627 0.345,628 0.08,629 0.317,630 0.035,631 -0.039,632 -0.013,633 -0.047,634 0.008,635 -0.044,636 -0.09,637 -0.165,638 -0.095,639 -0.15,640 -0.073,641 -0.129,642 -0.102,643 0.031,644 -0.138,645 -0.001,646 -0.072,647 -0.065,648 0.075,649 -0.08,650 0.039,651 -0.072,652 0.009,653 -0.039,654 0.042,655 -0.026,656 0.081,657 -0.04,658 0.047,659 0.02,660 0.043,661 -0.01,662 0.037,663 0.019,664 0.049,665 0.023,666 2.789,667 7.938,668 0.659,669 42.882,670 1.02,671 1.122,672 1.928,673 3.716,674 0.665,675 3.85,676 4.29,677 4.745,678 5.159,679 5.501,680 5.79,681 6.08,682 6.33,683 6.532,684 6.677,685 6.42,686 0.652,687 559.62,688 3.85,689 5.468,690 6.412,691 7.383,692 8.36,693 9.349,694 10.341,695 11.341,696 12.344,697 13.351,698 4.3,701 1,705 1,709 1,715 8,720 10,722 18,727 1,735 1,739 4,741 70,743 22,744 3,745 46,747 75,748 30,749 18,750 10,751 8,752 1,756 6,757 8,764 1,766 1,767 1,768 2,770 1,772 20,773 10,774 2,777 4,779 1,782 4,786 2,793 29,794 10,795 1,796 11,802 3,808 0.333,809 8,825 1,828 3,829 3,832 2,843 1,855 1,859 2,864 5,868 41,876 2,877 1,878 4,880 1,881 1,882 2,893 11.4,896 2,898 4,899 2,901 22,902 14.483,903 9.049,904 3.876,907 2.613,908 1.286,909 0.958,910 6.526,911 11.747,912 4.094,913 4.741,914 5.374,915 5.975,916 6.547,917 6.938,918 7.383,919 7.777,920 8.154,921 8.521,922 0.857,923 90,924 15.42,926 7.144,927 0.026,929 7.972,931 28.472,933 24.492,936 2.472,937 101.333,941 329.591,942 181.446,943 26.805,945 145.036,948 181.446,949 474.627,950 26.805,951 57.599,952 22.651,953 75.81,954 60.128,955 86.353,957 329.591,958 50.747,959 329.591,960 208.252,961 145.036,964 317.82,965 106.061,966 50.747,968 25.775,969 176.806,970 5.67,972 329.591,973 171.841,974 181.446,977 329.591,978 53.708,979 136.533,980 18.011,981 145.036,982 329.591,983 171.841,984 181.446,986 0.598,987 0.394,988 0.229,989 0.128,990 39,991 19,992 0.08,993 6,994 2,995 1.222,996 4.371,997 498.32,998 0.148,999 29,1000 215.66,1005 27.517,1006 9.723,1007 3.522,1009 166.171,1010 13.218,1015 4.471,1017 18.011,1018 682.879,1019 59,1021 -0.495,1024 52.914,1028 -0.648,1031 71.411,1032 78.568,1034 0.262,1035 0.606,1036 0.753,1037 0.823,1038 0.851,1039 0.87,1040 5.418,1041 2.057,1042 6.485,1043 7.597,1044 4.977,1045 5.429,1046 3.414,1047 7.533,1048 4.917,1049 6.679,1050 1.856,1051 8.202,1052 7.121,1053 4.934,1054 5.497,1055 2.773,1056 9.192,1057 4.873,1058 8.063,1059 1.839,1060 10.047,1061 5.695,1062 6.83,1063 7.679,1064 4.6,1065 12.49,1066 6.741,1067 9.489,1068 1.614,1069 11.979,1070 5.459,1071 7.655,1072 8.517,1073 4.802,1074 15.114,1075 7.568,1076 10.955,1077 1.575,1078 13.977,1079 4.785,1080 9.131,1081 10.242,1082 6.198,1083 18.145,1084 9.032,1085 12.45,1086 1.38,1087 16.027,1088 4.127,1089 10.315,1090 11.405,1091 6.752,1092 21.051,1093 10.216,1094 13.97,1095 1.217,1096 18.117,1097 3.731,1098 11.703,1099 12.968,1100 7.95,1101 24.048,1102 11.598,1103 4.159,1104 1.044,1105 20.239,1106 2.962,1107 13.027,1108 14.28,1109 8.676,1110 27.023,1111 12.918,1112 3.25,1113 20.093,1114 22.383,1115 2.893,1116 14.414,1117 15.779,1118 9.77,1119 30.02,1120 14.299,1121 2.98,1122 12.968,1123 24.546,1124 4.479,1125 15.792,1126 17.163,1127 10.591,1128 33.013,1129 15.671,1130 2.852,1131 10.056,1132 26.722,1133 4.162,1134 17.192,1135 18.638,1136 11.628,1137 36.011,1138 17.063,1139 2.705,1140 9.213,1141 28.908,1142 3.955,1143 18.594,1144 20.06,1145 12.505,1146 39.009,1147 18.457,1148 2.518,1149 8.65,1150 31.101,1151 3.85,1152 20.004,1153 21.528,1154 13.509,1155 42.008,1156 19.858,1157 2.306,1158 8.446,1159 33.299,1160 3.512,1161 21.417,1162 22.972,1163 14.42,1164 45.007,1165 21.262,1166 20325,1167 36041,1168 29.649,1169 46.551,1170 71.83,1171 75.641,1172 79.923,1173 71.319,1174 71.587,1175 89.877,1176 21.526,1177 237.118,1178 69.081,1179 6.204,1180 6.593,1181 8.721,1182 6.2,1183 6.159,1184 7.479,1185 4.612,1186 30.233,1187 6.117,1188 25.697,1189 1.562,1190 1.644,1191 1.737,1192 1.55,1193 1.556,1194 1.954,1195 0.468,1196 5.155,1197 1.502,1198 4.179,1199 4.2,1200 4.145,1201 4.096,1202 7.815,1203 4.104,1204 3.976,1205 3.994,1206 3.944,1207 3.875,1208 7.432,1209 3.885,1210 3.909,1211 3.921,1212 3.866,1213 3.831,1214 7.423,1215 3.836,1216 3.746,1217 3.773,1218 3.714,1219 3.563,1220 6.999,1221 3.584,1222 3.526,1223 3.555,1224 3.482,1225 3.211,1226 4.946,1227 3.27,1228 3.392,1229 3.442,1230 3.285,1231 3.15,1232 4.901,1233 3.175,1234 3.26,1235 3.321,1236 3.147,1237 2.994,1238 4.711,1239 3.016,1240 3.25,1241 3.315,1242 3.062,1243 2.963,1244 4.496,1245 2.973,1246 0.114,1247 0.1,1248 0.199,1249 0.112,1250 0.09,1251 5.225,1252 0.097,1253 4.593,1254 0.057,1255 9.168,1256 0.437,1257 5.149,1258 0.09,1259 4.159,1260 4.479,1261 2.612,1262 20.093,1263 4.117,1264 1.944,1265 1.928,1266 2.028,1267 2.078,1268 1.38,1269 2.041,1270 1.902,1271 1.881,1272 1.986,1273 2.017,1274 1.182,1275 2.013,1276 1.88,1277 1.872,1278 1.954,1279 1.978,1280 1.132,1281 1.968,1282 1.642,1283 1.624,1284 1.749,1285 1.826,1286 0.968,1287 1.797,1288 1.513,1289 1.452,1290 1.739,1291 1.734,1292 0.916,1293 1.737,1294 1.236,1295 1.197,1296 1.577,1297 1.662,1298 0.609,1299 1.56,1300 1.23,1301 1.185,1302 1.574,1303 1.525,1304 0.576,1305 1.541,1306 1.198,1307 1.132,1308 1.57,1309 1.522,1310 0.574,1311 1.538,1312 4.533,1314 5.943,1315 3.434,1316 7.577,1317 6.075,1318 9.322,1319 8.42,1320 11.134,1322 7.883,1328 0.513,1329 2.934,1330 22.093,1332 -0.5,1333 1.859,1334 -2.908,1340 45.631,1341 112.207,1342 259.856,1343 323.275,1344 353.275,1345 365.275,1346 373.275,1347 114.121,1348 9.134,1349 132.15,1350 132.15,1351 33,1352 13.807,1353 4.524,1354 3.807,1355 58.58,1356 144,1357 197,1358 0.19,1359 271.404,1360 492.34,1361 653.987,1362 106585,1364 29.267,1365 0.714,1366 0.568,1367 29.267,1368 23.271,1369 19.669,1370 0.428,1371 0.283,1372 12.719,1373 18.525,1374 12.294,1375 10.151,1376 19.669,1377 13.007,1378 18.172,1379 0.252,1380 0.146,1381 18.172,1382 10.541,1383 17.307,1384 0.152,1385 0.079,1386 17.307,1387 8.989,1388 15.753,1389 0.091,1390 0.042,1391 15.753,1392 7.303,1393 13.432,1394 0.055,1395 0.023,1396 13.432,1397 5.537,1398 0.281,1399 126.572,1400 0.184,1401 34.764,1402 0.586,1403 236,1404 775.507,1405 262.477,1406 721.187,1407 974.52,1408 672,1409 304,1410 712.538,1411 333.061,1412 717.975,1413 1068,1414 667,1415 5.215}
{0 CHEMBL1288822,1 1.468,2 10.07,3 4.801,4 23.049,5 160.824,6 7.689,7 0.49,8 4.435,9 4.528,10 4.038,11 4.006,12 5.557,13 3.998,14 4.995,15 5.128,16 4.46,17 4.455,18 6.036,19 4.438,20 5.253,21 5.385,22 4.697,23 4.694,24 6.35,25 4.665,26 5.492,27 5.649,28 4.818,29 4.856,30 6.591,31 4.816,32 5.667,33 5.844,34 4.888,35 4.969,36 6.816,37 4.916,38 5.692,39 5.873,40 4.926,41 5.036,42 6.79,43 4.969,44 5.766,45 5.959,46 4.938,47 5.01,48 6.882,49 4.951,50 5.684,51 5.868,52 4.839,53 4.903,54 6.827,55 4.842,56 0.053,57 0.991,58 14.365,59 7.242,60 12.367,61 8.602,62 0.402,63 1.681,64 28.871,65 12.462,66 43.228,67 14.857,68 0.51,69 2.216,70 36.308,71 16.292,72 53.749,73 20.012,74 0.503,75 2.801,76 48.312,77 20.257,78 79.651,79 25.04,80 1.106,81 3.231,82 61.894,83 24.211,84 153.656,85 29.908,86 0.667,87 3.349,88 61.32,89 26.359,90 107.6,91 33.714,92 1.054,93 3.493,94 70.017,95 27.557,96 143.126,97 34.763,98 1.26,99 3.183,100 64.275,101 25.125,102 147.654,103 31.423,104 53,105 75,106 0.223,107 0.529,108 0.656,109 0.763,110 0.815,111 0.836,112 3.789,113 0.868,114 -3.97,115 -3.92,116 -3.72,121 46.7,123 1,124 1,125 1,126 4,129 1,132 1,144 14,145 5,146 5,159 1,160 1,176 20,180 6,183 1,185 6,187 24,191 2,192 14,195 1,196 1,197 8,200 23,206 13,209 1,211 11,214 24,218 2,219 15,222 1,224 9,227 36,231 1,232 16,235 1,237 6,239 41,243 1,244 17,247 3,249 3,251 35,255 4,256 20,259 3,261 1,264 20,268 1,269 18,272 1,277 7,281 3855,282 29.815,283 29.815,284 29.815,285 29.815,286 29.815,287 26.782,288 38.881,289 16.867,290 30.555,291 23.886,292 23.886,293 23.886,294 23.886,295 23.886,296 19.02,297 51.385,298 7.547,299 24.681,300 4.76,301 2.755,302 1.919,303 1.218,304 0.877,305 0.734,306 4.507,312 1,313 955,314 4.123,317 261.63,318 466.912,321 313.619,325 1.294,326 52.609,329 0.75,330 0.67,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.75,337 93,338 433,339 5.203,340 4.565,341 9.075,342 5.128,343 4.135,344 4.451,345 2.081,346 19.665,347 4.106,348 4.505,349 3.843,350 7.439,351 4.221,352 3.226,353 4.116,354 1.277,355 12.822,356 3.208,357 4.341,358 3.371,359 6.68,360 4.023,361 3.04,362 3.944,363 0.86,364 10.629,365 2.993,366 4.173,367 3.193,368 6.326,369 3.79,370 2.84,371 3.659,372 0.86,373 9.396,374 2.695,375 4.037,376 3.154,377 6.158,378 3.721,379 2.752,380 3.507,381 0.86,382 9.075,383 2.664,384 3.769,385 2.92,386 6.001,387 3.402,388 2.426,389 3.153,390 0.86,391 8.189,392 2.354,393 3.662,394 2.731,395 5.905,396 3.32,397 2.339,398 2.98,399 0.818,400 7.848,401 2.288,402 3.362,403 2.562,404 5.598,405 3.002,406 2.004,407 2.583,408 0.467,409 6.725,410 1.987,411 3.213,412 2.533,413 5.207,414 2.855,415 1.862,416 2.398,417 0.076,418 5.693,419 1.846,420 3.091,421 2.198,422 5.086,423 2.749,424 1.772,425 2.273,427 5.251,428 1.728,429 3.013,430 2.184,431 4.712,432 2.678,433 1.697,434 2.14,436 4.623,437 1.659,438 2.919,439 2.017,440 4.456,441 2.521,442 1.607,443 2.057,445 4.105,446 1.461,447 2.839,448 1.825,449 4.373,450 2.359,451 1.376,452 1.97,454 3.699,455 1.358,456 2.698,457 1.518,458 4.277,459 2.322,460 1.354,461 1.692,463 2.952,464 1.283,465 2.5,466 1.334,467 3.974,468 2.12,469 1.14,470 1.5,472 2.778,473 1.113,474 20.3,475 0.472,476 1.089,477 0.025,478 57.5,479 1.337,480 29.5,481 0.686,482 28,483 0.651,484 45.63,485 1.061,486 45.1,487 0.601,488 58.072,489 1.351,490 11.568,491 0.269,492 9.359,493 0.218,494 0.131,495 0.049,496 0.345,501 0.783,502 1.117,503 0.735,504 1.024,505 0.604,506 0.893,507 1.101,508 0.899,509 0.813,510 0.781,511 0.745,512 0.752,513 0.773,514 1.136,515 0.851,516 1.05,517 0.909,518 0.979,519 0.994,520 1.177,521 0.977,522 1.087,523 1.257,524 1.033,525 1.135,526 0.938,527 1.019,528 0.9,529 1.36,530 0.927,531 0.766,532 1.063,533 0.91,534 1.05,535 1.036,536 1.015,537 1.039,538 0.978,539 0.937,540 0.976,541 1.344,542 0.945,543 1.03,544 1.045,545 1.018,546 1.067,547 1.017,548 1.047,549 9,550 0.332,551 7.333,552 5.722,553 4.659,554 3.398,555 2.052,556 1.52,557 1.151,558 0.588,559 24264,560 63920,561 2.14,562 42.7,563 2,564 27,567 2,569 1,572 1.833,573 1.985,574 3.219,575 0.068,582 110.127,583 1.468,584 3.474,585 4.31,586 5.01,587 5.352,588 5.495,589 2.659,590 5.269,591 5.393,592 3.413,593 3082.23,594 9.646,595 49905.9,600 467.161,601 1.634,602 5.344,603 0.184,604 0.007,605 0.098,606 0.062,607 0.046,608 0.031,609 0.018,610 0.014,611 0.012,612 0.008,613 0.479,614 0.33,615 0.75,616 0.841,617 234.771,618 -0.034,619 -0.031,620 0.062,621 -0.014,622 -0.039,623 0.035,624 -0.108,625 0.151,626 0.078,627 0.213,628 -0.055,629 0.183,630 0.097,631 -0.076,632 0.02,633 -0.057,634 0.014,635 -0.04,636 -0.076,637 -0.118,638 -0.069,639 -0.109,640 -0.081,641 -0.091,642 -0.074,643 0.087,644 -0.057,645 0.076,646 0.002,647 0.026,648 0.019,649 -0.056,650 0.01,651 -0.047,652 0.033,653 -0.025,654 -0.001,655 0.01,656 0.047,657 0.011,658 -0.04,659 0.032,660 0.098,661 -0.059,662 -0.028,663 -0.085,664 0.067,665 -0.081,666 2.626,667 8.271,668 0.767,669 42.836,670 1.006,671 1.113,672 2.741,673 7.512,674 0.682,675 3.912,676 4.331,677 4.787,678 5.215,679 5.587,680 5.886,681 6.205,682 6.483,683 6.688,684 6.839,685 6.334,686 0.656,687 576.69,688 3.912,689 5.517,690 6.457,691 7.422,692 8.397,693 9.384,694 10.377,695 11.377,696 12.381,697 13.389,698 2.7,700 1,705 1,715 14,720 10,722 24,727 1,739 4,741 75,743 26,744 4,745 49,747 81,748 35,749 24,750 10,751 14,752 1,756 7,757 9,764 1,766 1,767 2,768 2,770 2,772 26,773 9,774 2,777 2,782 2,786 2,793 32,794 8,795 2,796 8,802 2,808 0.429,809 6,825 1,828 3,829 4,832 2,843 1,853 1,859 3,864 4,868 43,876 1,877 2,878 4,880 2,882 2,893 8,896 2,898 4,901 21.667,902 14.833,903 9.535,904 4.25,907 2.533,908 1.276,909 0.987,910 6.674,911 11.694,912 4.159,913 4.787,914 5.434,915 6.04,916 6.619,917 6.958,918 7.433,919 7.896,920 8.315,921 8.715,922 0.857,923 92,924 16.127,926 7.392,927 0.026,929 7.725,931 30.519,933 26.527,936 2.225,937 95.667,941 353.133,942 228.231,943 36.022,945 94.289,948 228.231,949 447.422,950 36.022,951 43.532,952 20.545,953 150.678,954 60.128,955 83.658,957 353.133,959 353.133,960 264.252,961 94.289,964 341.362,965 106.061,968 38.556,969 225.696,972 353.133,973 130.311,974 228.231,977 353.133,978 52.031,979 176.2,980 36.022,981 94.289,982 353.133,983 130.311,984 228.231,986 0.587,987 0.386,988 0.232,989 0.135,990 41,991 18,992 0.074,993 6,994 2,995 1.182,996 4.548,997 544.38,998 0.121,999 35,1000 229.329,1005 27.81,1006 10.32,1007 3.724,1009 130.311,1010 26.997,1015 6.72,1017 36.022,1018 711.675,1019 63,1024 29.788,1028 -0.376,1031 75.421,1032 83.481,1034 0.236,1035 0.558,1036 0.692,1037 0.804,1038 0.859,1039 0.882,1040 5.464,1041 2.004,1042 6.509,1043 7.848,1044 5.017,1045 5.476,1046 2.95,1047 7.542,1048 4.969,1049 6.706,1050 1.862,1051 8.209,1052 6.725,1053 4.89,1054 5.394,1055 1.796,1056 9.153,1057 4.843,1058 8.072,1059 1.772,1060 10.039,1061 5.693,1062 6.845,1063 7.691,1064 3.591,1065 12.448,1066 6.774,1067 9.483,1068 1.697,1069 11.96,1070 5.251,1071 7.626,1072 8.415,1073 3.441,1074 15.026,1075 7.558,1076 10.937,1077 1.607,1078 13.947,1079 4.623,1080 9.122,1081 10.214,1082 4.682,1083 18.037,1084 9.044,1085 12.423,1086 1.376,1087 15.985,1088 4.105,1089 10.284,1090 11.301,1091 5.007,1092 20.91,1093 10.208,1094 13.936,1095 1.354,1096 18.063,1097 3.699,1098 11.674,1099 12.905,1100 5.993,1101 23.884,1102 11.593,1103 4.135,1104 1.14,1105 20.171,1106 2.952,1107 12.985,1108 14.17,1109 6.528,1110 26.834,1111 12.903,1112 3.226,1113 19.665,1114 22.302,1115 2.778,1116 14.367,1117 15.689,1118 7.391,1119 29.808,1120 14.281,1121 3.04,1122 12.822,1123 24.451,1124 4.451,1125 15.737,1126 17.045,1127 8.024,1128 32.777,1129 15.647,1130 2.84,1131 10.629,1132 26.613,1133 4.116,1134 17.13,1135 18.529,1136 8.824,1137 35.753,1138 17.036,1139 2.752,1140 9.396,1141 28.786,1142 3.944,1143 18.524,1144 19.934,1145 9.506,1146 38.729,1147 18.425,1148 2.426,1149 9.075,1150 30.967,1151 3.659,1152 19.927,1153 21.404,1154 10.274,1155 41.707,1156 19.823,1157 2.339,1158 8.189,1159 33.153,1160 3.507,1161 21.334,1162 22.836,1163 10.98,1164 44.684,1165 21.223,1166 22778,1167 37057,1168 32.709,1169 51.159,1170 75.933,1171 78.677,1172 82.418,1173 75.25,1174 75.518,1175 95.37,1176 16.318,1177 244.782,1178 73.37,1179 6.182,1180 6.565,1181 8.877,1182 6.184,1183 6.135,1184 7.451,1185 3.618,1186 29.779,1187 6.106,1188 21.591,1189 1.55,1190 1.606,1191 1.682,1192 1.536,1193 1.541,1194 1.946,1195 0.333,1196 4.996,1197 1.497,1198 4.181,1199 4.201,1200 4.144,1201 4.107,1202 7.432,1203 4.112,1204 3.938,1205 3.955,1206 3.899,1207 3.865,1208 7.423,1209 3.869,1210 3.922,1211 3.942,1212 3.873,1213 3.854,1214 4.953,1215 3.854,1216 3.863,1217 3.885,1218 3.8,1219 3.795,1220 4.901,1221 3.794,1222 3.635,1223 3.661,1224 3.569,1225 3.515,1226 4.783,1227 3.524,1228 3.369,1229 3.403,1230 3.296,1231 3.15,1232 4.728,1233 3.179,1234 3.311,1235 3.354,1236 3.212,1237 3.114,1238 4.496,1239 3.13,1240 3.25,1241 3.315,1242 3.062,1243 2.963,1244 4.495,1245 2.973,1246 0.106,1247 0.093,1248 0.185,1249 0.105,1250 0.084,1251 5.203,1252 0.091,1253 4.565,1254 0.042,1255 9.075,1256 0.401,1257 5.128,1258 0.084,1259 4.135,1260 4.451,1261 2.081,1262 19.665,1263 4.106,1264 1.964,1265 1.945,1266 2.066,1267 2.044,1268 1.396,1269 2.05,1270 1.904,1271 1.88,1272 2.005,1273 1.984,1274 1.2,1275 1.992,1276 1.88,1277 1.872,1278 1.964,1279 1.978,1280 1.128,1281 1.968,1282 1.854,1283 1.832,1284 1.954,1285 1.944,1286 1.06,1287 1.952,1288 1.629,1289 1.61,1290 1.735,1291 1.783,1292 0.958,1293 1.762,1294 1.401,1295 1.357,1296 1.589,1297 1.624,1298 0.756,1299 1.613,1300 1.234,1301 1.185,1302 1.576,1303 1.525,1304 0.595,1305 1.541,1306 1.198,1307 1.135,1308 1.574,1309 1.522,1310 0.576,1311 1.538,1312 4.595,1314 5.989,1315 3.434,1316 7.613,1317 6.075,1318 9.349,1319 8.424,1320 11.151,1322 6.316,1328 0.304,1329 6.902,1330 22.541,1332 -0.887,1334 -2.637,1340 49.234,1341 110.127,1342 260.555,1343 323.229,1344 375.777,1345 401.387,1346 412.142,1347 97.388,1348 9.162,1349 95.12,1350 95.12,1351 39,1352 13.845,1353 4.755,1354 3.907,1355 57.209,1356 151,1357 200,1358 0.178,1359 291.331,1360 521.72,1361 702.608,1362 105147,1364 29.932,1365 0.696,1366 0.567,1367 29.932,1368 24.394,1369 20.927,1370 0.427,1371 0.289,1372 13.954,1373 20.077,1374 13.529,1375 11.171,1376 20.927,1377 14.184,1378 18.795,1379 0.251,1380 0.15,1381 18.795,1382 11.216,1383 18.151,1384 0.153,1385 0.08,1386 18.151,1387 9.479,1388 16.666,1389 0.091,1390 0.042,1391 16.666,1392 7.72,1393 14.671,1394 0.055,1395 0.023,1396 14.671,1397 6.01,1398 0.261,1399 131.965,1400 0.175,1401 35.935,1402 0.555,1403 248,1404 699.079,1405 268.273,1406 661.663,1407 918.2,1408 624,1409 318,1410 678.68,1411 340.909,1412 693.101,1413 1038.24,1414 649,1415 5.284}
{0 CHEMBL1288823,1 1.608,2 9.366,3 5.704,4 32.531,5 152.919,6 8.493,7 0.511,8 4.332,9 4.421,10 4.015,11 3.959,12 5.487,13 3.947,14 4.89,15 5.009,16 4.472,17 4.425,18 6.008,19 4.403,20 5.202,21 5.338,22 4.679,23 4.652,24 6.349,25 4.617,26 5.408,27 5.567,28 4.784,29 4.787,30 6.537,31 4.746,32 5.554,33 5.723,34 4.917,35 4.903,36 6.757,37 4.857,38 5.598,39 5.766,40 4.964,41 4.99,42 6.781,43 4.925,44 5.664,45 5.847,46 4.937,47 4.947,48 6.879,49 4.881,50 5.528,51 5.719,52 4.787,53 4.764,54 6.796,55 4.694,56 0.087,57 0.93,58 10.501,59 6.116,60 12.733,61 6.981,62 0.329,63 1.603,64 21.835,65 10.952,66 41.156,67 12.545,68 0.552,69 2.21,70 33.122,71 15.234,72 72.665,73 17.71,74 0.651,75 2.658,76 41.846,77 18.376,78 100.636,79 21.486,80 1.131,81 2.914,82 52.36,83 21.509,84 160.816,85 25.372,86 0.828,87 3.109,88 54.994,89 23.814,90 126.403,91 28.811,92 1.187,93 3.336,94 65.661,95 25.57,96 169.124,97 30.21,98 1.273,99 3.005,100 55.816,101 22.488,102 177.399,103 26.38,104 41,105 73,106 0.25,107 0.576,108 0.729,109 0.839,110 0.859,111 0.864,112 3.743,113 0.875,114 -5.39,115 -5.27,116 -4.92,121 49.3,123 1,124 1,125 1,126 2,129 1,132 1,144 14,145 5,146 5,159 1,160 1,176 19,180 4,183 1,185 6,187 26,191 1,192 10,195 1,196 1,197 8,200 27,206 10,209 1,211 9,214 24,218 2,219 12,222 1,224 12,227 37,231 1,232 14,237 6,239 44,244 12,247 2,249 4,251 38,255 2,256 10,259 2,261 1,264 25,269 10,277 11,281 3376,282 28.022,283 28.022,284 28.022,285 28.022,286 28.022,287 24.912,288 34.877,289 15.797,290 28.617,291 23.027,292 23.027,293 23.027,294 23.027,295 23.027,296 18.191,297 44.412,298 7.276,299 23.853,300 4.458,301 2.356,302 1.367,303 0.661,304 0.53,305 0.5,306 4.462,308 1,313 851,314 3.873,317 243.396,318 436.759,321 292.694,325 1.319,326 59.999,329 0.5,330 0.67,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.72,337 88.833,338 384,339 5.204,340 4.566,341 9.075,342 5.129,343 4.136,344 4.458,345 2.081,346 19.666,347 4.106,348 4.511,349 3.844,350 7.441,351 4.225,352 3.23,353 4.131,354 1.277,355 12.831,356 3.209,357 4.3,358 3.355,359 6.675,360 4.006,361 3.021,362 3.805,363 0.86,364 10.607,365 2.98,366 4.059,367 3.179,368 6.325,369 3.73,370 2.764,371 3.56,372 0.86,373 9.386,374 2.667,375 3.965,376 3.029,377 6.018,378 3.553,379 2.575,380 3.511,381 0.818,382 8.234,383 2.517,384 3.839,385 2.919,386 5.931,387 3.443,388 2.486,389 3.227,390 0.467,391 8.06,392 2.367,393 3.619,394 2.815,395 5.651,396 3.239,397 2.286,398 2.931,399 0.076,400 7.007,401 2.164,402 3.402,403 2.675,404 5.213,405 3.02,406 2.088,407 2.672,409 5.963,410 1.949,411 3.281,412 2.553,413 5.126,414 2.899,415 1.929,416 2.498,418 5.88,419 1.85,420 3.182,421 2.457,422 5.016,423 2.808,424 1.836,425 2.355,427 5.643,428 1.742,429 3.088,430 2.197,431 4.926,432 2.719,433 1.737,434 2.27,436 4.998,437 1.671,438 2.997,439 2.025,440 4.645,441 2.635,442 1.647,443 2.115,445 4.528,446 1.59,447 2.696,448 1.829,449 4.457,450 2.32,451 1.374,452 1.69,454 3.699,455 1.281,456 2.5,457 1.334,458 4.288,459 2.115,460 1.136,461 1.5,463 2.793,464 1.108,465 2.5,466 1.247,467 3.97,468 2,469 1,470 1.5,472 2.726,473 1,474 19.633,475 0.479,476 1.182,477 0.029,478 55,479 1.341,480 28.5,481 0.695,482 26.5,483 0.646,484 43.181,485 1.053,486 42.167,487 0.629,488 53.948,489 1.316,490 10.86,491 0.265,492 8.974,493 0.219,494 0.136,495 0.051,496 0.357,499 1,501 0.649,502 0.944,503 0.598,504 0.875,505 0.536,506 0.804,507 0.808,508 0.93,509 0.675,510 0.822,511 0.594,512 0.799,513 0.822,514 1.056,515 0.879,516 1.033,517 0.882,518 0.994,519 0.919,520 0.996,521 0.848,522 1.002,523 1.029,524 0.994,525 0.888,526 0.791,527 0.795,528 0.854,529 0.961,530 0.883,531 0.733,532 0.925,533 0.889,534 1.015,535 0.845,536 1.008,537 1.012,538 0.951,539 1.03,540 1.027,541 1.192,542 1.02,543 1.079,544 1.101,545 0.942,546 0.998,547 1.113,548 1.019,549 9.5,550 0.292,551 7.111,552 5.472,553 4.659,554 3.377,555 1.97,556 1.426,557 1.036,558 0.503,559 21494,560 63966,561 2.147,562 38.8,563 2,564 21,567 2,569 1,572 1.822,573 1.984,574 3.143,575 0.088,582 107.752,583 1.608,584 3.71,585 4.699,586 5.405,587 5.536,588 5.566,589 2.621,590 4.851,591 5.324,592 3.347,593 2744.84,594 9.508,595 42949.6,600 406.428,601 1.662,602 5.272,603 0.202,604 0.009,605 0.097,606 0.063,607 0.049,608 0.032,609 0.018,610 0.014,611 0.012,612 0.009,613 0.504,614 0.17,615 0.75,616 0.749,617 220.239,618 -0.037,619 0.018,620 0.027,621 0.032,622 -0.038,623 0.053,624 -0.049,625 0.021,626 0.041,627 0.103,628 -0.002,629 0.091,630 0.007,631 -0.066,632 -0.068,633 -0.095,634 -0.032,635 -0.085,636 -0.082,637 -0.055,638 -0.066,639 -0.076,640 -0.089,641 -0.073,643 0.065,644 0.038,645 0.085,646 0.019,647 0.061,648 0.013,649 -0.044,651 -0.048,652 0.02,653 -0.035,654 -0.028,655 -0.025,656 -0.031,657 -0.043,658 -0.071,659 -0.036,660 0.052,661 -0.064,662 0.038,663 -0.004,664 0.034,665 -0.031,666 2.733,667 8.094,668 0.805,669 39.684,670 1.012,671 1.112,672 4.158,673 17.289,674 0.709,675 3.871,676 4.304,677 4.745,678 5.182,679 5.576,680 5.872,681 6.182,682 6.455,683 6.646,684 6.786,685 6.083,686 0.686,687 569.06,688 3.871,689 5.485,690 6.422,691 7.391,692 8.366,693 9.357,694 10.352,695 11.355,696 12.361,697 13.371,698 3,700 1,705 1,715 14,720 10,722 24,727 1,739 2,740 2,741 67,743 26,744 4,745 47,747 73,748 33,749 24,750 10,751 14,752 1,756 7,757 9,758 1,764 1,766 1,767 2,768 2,770 2,772 26,773 7,774 2,777 2,782 2,786 2,791 1,793 26,794 7,795 2,796 8,797 1,802 2,808 0.429,809 4,825 1,828 3,829 4,832 2,843 1,853 1,859 3,864 2,865 1,866 1,868 41,876 1,877 2,878 2,880 2,882 2,892 2,893 6,896 2,898 2,901 20.667,902 12.786,903 8.84,904 3.898,907 2.529,908 1.278,909 1.009,910 6.021,911 11.633,912 4.127,913 4.771,914 5.4,915 6.011,916 6.608,917 6.939,918 7.405,919 7.872,920 8.279,921 8.671,922 1,923 87,924 15.444,926 7.281,927 0.026,929 7.86,931 28.883,933 25.594,936 2.36,937 96.778,941 282.506,942 208.599,943 36.022,944 39.149,945 72.29,946 14.96,948 208.599,949 393.945,950 50.982,951 21.766,952 20.545,953 150.678,954 60.128,955 63.793,956 14.96,957 282.506,958 39.149,959 282.506,960 244.621,961 87.25,962 39.149,964 285.695,965 84.061,968 38.556,969 206.065,970 39.149,972 297.467,973 108.311,974 247.748,977 282.506,978 54.166,979 154.434,980 36.022,981 126.398,982 282.506,983 123.271,984 247.748,986 0.596,987 0.378,988 0.224,989 0.139,990 41,991 18,992 0.055,993 4,994 2,995 1.182,996 4.435,997 513.172,998 0.121,999 35,1000 211.66,1005 26.214,1006 9.418,1007 3.51,1009 123.271,1010 24.699,1015 5.05,1017 36.022,1018 653.526,1019 61,1024 29.494,1028 -0.53,1031 67.836,1032 74.516,1034 0.265,1035 0.612,1036 0.775,1037 0.891,1038 0.913,1039 0.918,1040 5.438,1041 2.088,1042 6.482,1043 7.007,1044 4.99,1045 5.46,1046 2.782,1047 7.514,1048 4.937,1049 6.688,1050 1.929,1051 8.181,1052 5.963,1053 4.89,1054 5.394,1055 1.796,1056 9.13,1057 4.819,1058 8.056,1059 1.836,1060 10.011,1061 5.88,1062 6.819,1063 7.674,1064 3.529,1065 12.428,1066 6.745,1067 9.467,1068 1.737,1069 11.933,1070 5.643,1071 7.606,1072 8.39,1073 3.441,1074 15.015,1075 7.531,1076 10.919,1077 1.647,1078 13.922,1079 4.998,1080 9.098,1081 10.187,1082 4.667,1083 18.031,1084 9.021,1085 12.403,1086 1.374,1087 15.963,1088 4.528,1089 10.264,1090 11.263,1091 5.007,1092 20.907,1093 10.189,1094 13.913,1095 1.136,1096 18.044,1097 3.699,1098 11.656,1099 12.869,1100 5.99,1101 23.883,1102 11.578,1103 4.136,1104 1,1105 20.156,1106 2.793,1107 12.971,1108 14.127,1109 6.528,1110 26.833,1111 12.892,1112 3.23,1113 19.666,1114 22.29,1115 2.726,1116 14.356,1117 15.65,1118 7.39,1119 29.808,1120 14.273,1121 3.021,1122 12.831,1123 24.442,1124 4.458,1125 15.728,1126 17.003,1127 8.024,1128 32.778,1129 15.641,1130 2.764,1131 10.607,1132 26.607,1133 4.131,1134 17.124,1135 18.491,1136 8.824,1137 35.754,1138 17.031,1139 2.575,1140 9.386,1141 28.782,1142 3.805,1143 18.52,1144 19.897,1145 9.506,1146 38.73,1147 18.422,1148 2.486,1149 8.234,1150 30.964,1151 3.56,1152 19.925,1153 21.371,1154 10.274,1155 41.708,1156 19.821,1157 2.286,1158 8.06,1159 33.151,1160 3.511,1161 21.332,1162 22.807,1163 10.98,1164 44.685,1165 21.222,1166 20055,1167 34682,1168 31.323,1169 47.523,1170 73.929,1171 76.487,1172 79.291,1173 73.197,1174 73.118,1175 92.975,1176 12.878,1177 238.445,1178 70.744,1179 6.183,1180 6.566,1181 8.877,1182 6.184,1183 6.136,1184 7.458,1185 3.618,1186 29.782,1187 6.106,1188 20.807,1189 1.573,1190 1.627,1191 1.687,1192 1.557,1193 1.556,1194 1.978,1195 0.274,1196 5.073,1197 1.505,1198 4.179,1199 4.2,1200 4.16,1201 4.107,1202 8.201,1203 4.113,1204 3.94,1205 3.955,1206 3.972,1207 3.869,1208 7.432,1209 3.873,1210 3.917,1211 3.942,1212 3.875,1213 3.859,1214 7.423,1215 3.856,1216 3.854,1217 3.883,1218 3.793,1219 3.794,1220 4.953,1221 3.789,1222 3.629,1223 3.654,1224 3.673,1225 3.518,1226 4.905,1227 3.525,1228 3.373,1229 3.402,1230 3.432,1231 3.161,1232 4.765,1233 3.189,1234 3.273,1235 3.315,1236 3.217,1237 3.103,1238 4.626,1239 3.114,1240 3.25,1241 3.315,1242 3.062,1243 2.963,1244 4.495,1245 2.973,1246 0.111,1247 0.097,1248 0.193,1249 0.109,1250 0.088,1251 5.204,1252 0.095,1253 4.566,1254 0.044,1255 9.075,1256 0.418,1257 5.129,1258 0.087,1259 4.136,1260 4.458,1261 2.081,1262 19.666,1263 4.106,1264 1.966,1265 1.943,1266 2.07,1267 2.04,1268 1.394,1269 2.051,1270 1.901,1271 1.881,1272 1.993,1273 1.979,1274 1.2,1275 1.983,1276 1.88,1277 1.872,1278 1.955,1279 1.973,1280 1.128,1281 1.967,1282 1.853,1283 1.828,1284 1.941,1285 1.93,1286 1.054,1287 1.941,1288 1.625,1289 1.605,1290 1.726,1291 1.774,1292 0.948,1293 1.753,1294 1.391,1295 1.344,1296 1.575,1297 1.595,1298 0.748,1299 1.587,1300 1.234,1301 1.185,1302 1.566,1303 1.522,1304 0.593,1305 1.538,1306 1.193,1307 1.123,1308 1.548,1309 1.52,1310 0.574,1311 1.532,1312 4.554,1314 5.958,1315 3.434,1316 7.584,1317 6.075,1318 9.32,1319 8.424,1320 11.123,1322 3.068,1323 6.53,1324 14.23,1328 0.235,1329 6.719,1330 11.138,1332 -1.03,1334 -2.825,1340 45.961,1341 107.752,1342 248.603,1343 314.86,1344 362.163,1345 370.918,1346 372.918,1347 100.112,1348 9.104,1349 76.66,1350 76.66,1351 39,1352 13.825,1353 4.755,1354 3.907,1355 53.323,1356 138,1357 175,1358 0.181,1359 273.685,1360 490.82,1361 659.551,1362 98590,1363 3,1364 28.518,1365 0.696,1366 0.563,1367 28.148,1368 23.09,1369 19.834,1370 0.422,1371 0.292,1372 13.19,1373 18.862,1374 12.837,1375 10.507,1376 19.729,1377 13.709,1378 18.539,1379 0.254,1380 0.154,1381 18.325,1382 11.234,1383 17.329,1384 0.152,1385 0.081,1386 17.18,1387 9.231,1388 15.773,1389 0.089,1390 0.043,1391 15.831,1392 7.533,1393 14.386,1394 0.055,1395 0.023,1396 14.456,1397 6.019,1398 0.265,1399 127.218,1400 0.179,1401 34.536,1402 0.572,1403 240,1404 715.922,1405 273.866,1406 693.326,1407 939.56,1408 648,1409 307,1410 666.785,1411 336.487,1412 684.071,1413 1025.91,1414 644,1415 5.006}
{0 CHEMBL1288824,1 1.554,2 10.114,3 5.465,4 29.87,5 165.629,6 8.148,7 0.48,8 4.439,9 4.528,10 4.087,11 4.022,12 5.571,13 4.013,14 4.999,15 5.128,16 4.525,17 4.475,18 6.061,19 4.458,20 5.259,21 5.384,22 4.753,23 4.716,24 6.378,25 4.685,26 5.496,27 5.648,28 4.865,29 4.872,30 6.605,31 4.831,32 5.672,33 5.844,34 4.977,35 4.988,36 6.837,37 4.937,38 5.7,39 5.871,40 5.035,41 5.065,42 6.834,43 4.999,44 5.775,45 5.957,46 5.048,47 5.044,48 6.933,49 4.985,50 5.691,51 5.867,52 4.967,53 4.941,54 6.861,55 4.88,56 0.084,57 0.98,58 13.201,59 7.093,60 12.574,61 8.258,62 0.461,63 1.664,64 28.033,65 12.42,66 46.207,67 14.41,68 0.599,69 2.186,70 36.409,71 16.309,72 59.237,73 19.467,74 0.616,75 2.779,76 47.221,77 20.294,78 85.435,79 24.429,80 1.279,81 3.198,82 62.149,83 24.354,84 161.029,85 29.334,86 0.872,87 3.304,88 63.872,89 26.7,90 121.572,91 33.228,92 1.305,93 3.443,94 75.307,95 28.284,96 163.051,97 34.436,98 1.38,99 3.148,100 65.245,101 25.631,102 151.948,103 31.068,104 66,105 77,106 0.237,107 0.55,108 0.687,109 0.789,110 0.82,111 0.836,112 3.812,113 0.88,114 -4.15,115 -4.09,116 -3.87,121 46.7,123 1,124 1,125 1,126 4,129 1,132 1,144 13,145 5,146 6,159 1,160 1,176 18,180 6,183 1,185 6,187 24,191 2,192 14,195 1,196 1,197 8,200 25,206 13,209 1,211 9,214 23,218 2,219 14,222 1,224 11,227 35,231 1,232 16,235 1,237 6,239 39,243 1,244 18,247 3,249 3,251 33,255 4,256 20,259 3,261 1,264 23,268 1,269 15,272 1,277 9,281 4108,282 30.263,283 30.263,284 30.263,285 30.263,286 30.263,287 27.205,288 40.482,289 17.008,290 31.139,291 24.37,292 24.37,293 24.37,294 24.37,295 24.37,296 19.431,297 52.997,298 7.635,299 25.431,300 4.675,301 2.616,302 1.715,303 1.047,304 0.84,305 0.734,306 4.528,308 1,312 1,313 978,314 4.183,317 269.031,318 479.505,321 322.107,325 1.316,326 57.599,329 0.75,330 0.67,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.75,337 95.333,338 445,339 5.205,340 4.566,341 9.075,342 5.129,343 4.136,344 4.459,345 2.081,346 19.667,347 4.106,348 4.512,349 3.844,350 7.441,351 4.226,352 3.232,353 4.131,354 1.277,355 12.835,356 3.21,357 4.345,358 3.372,359 6.68,360 4.024,361 3.042,362 3.949,363 0.86,364 10.63,365 2.993,366 4.185,367 3.193,368 6.328,369 3.793,370 2.844,371 3.698,372 0.86,373 9.403,374 2.696,375 4.039,376 3.154,377 6.158,378 3.723,379 2.754,380 3.515,381 0.86,382 9.075,383 2.666,384 3.839,385 3.026,386 6.017,387 3.443,388 2.488,389 3.227,390 0.86,391 8.234,392 2.368,393 3.707,394 2.815,395 5.917,396 3.36,397 2.388,398 3.037,399 0.818,400 7.932,401 2.305,402 3.44,403 2.689,404 5.602,405 3.067,406 2.126,407 2.713,408 0.467,409 6.782,410 2.004,411 3.284,412 2.553,413 5.212,414 2.9,415 1.934,416 2.501,417 0.076,418 5.895,419 1.855,420 3.189,421 2.457,422 5.093,423 2.813,424 1.84,425 2.366,427 5.675,428 1.742,429 3.091,430 2.198,431 4.927,432 2.73,433 1.746,434 2.273,436 4.999,437 1.691,438 3.001,439 2.184,440 4.712,441 2.641,442 1.653,443 2.117,445 4.621,446 1.593,447 2.919,448 2.016,449 4.457,450 2.521,451 1.607,452 2.057,454 4.105,455 1.461,456 2.698,457 1.825,458 4.374,459 2.322,460 1.376,461 1.693,463 3.699,464 1.283,465 2.5,466 1.336,467 4.284,468 2.12,469 1.141,470 1.5,472 2.793,473 1.113,474 21.014,475 0.478,476 1.196,477 0.027,478 58.25,479 1.324,480 29.5,481 0.67,482 28.75,483 0.653,484 48.784,485 1.109,486 46.186,487 0.616,488 59.359,489 1.349,490 11.64,491 0.265,492 9.68,493 0.22,494 0.161,495 0.048,496 0.357,501 0.762,502 1.116,503 0.636,504 0.972,505 0.597,506 0.864,507 1.063,508 0.894,509 0.705,510 0.734,511 0.721,512 0.719,513 0.798,514 1.139,515 0.863,516 1.042,517 0.918,518 0.983,519 0.966,520 1.181,521 0.863,522 1.056,523 1.228,524 1.023,525 1.063,526 0.944,527 0.856,528 0.873,529 1.308,530 0.905,531 0.76,532 1.062,533 0.876,534 1.033,535 1.006,536 1,537 1.039,538 0.978,539 0.972,540 0.985,541 1.313,542 0.95,543 1.017,544 1.035,545 0.899,546 0.999,547 0.986,548 0.998,549 10,550 0.423,551 7.556,552 5.785,553 4.93,554 3.589,555 2.148,556 1.749,557 1.225,558 0.702,559 25525,560 72605,561 2.123,562 41.3,563 2,564 26,567 2,569 1,572 1.839,573 1.956,574 3.224,575 0.081,582 116.547,583 1.554,584 3.613,585 4.514,586 5.182,587 5.389,588 5.495,589 2.661,590 5.232,591 5.426,592 3.423,593 3238.52,594 9.714,595 53290.2,600 467.161,601 1.671,602 5.371,603 0.2,604 0.008,605 0.098,606 0.062,607 0.047,608 0.032,609 0.018,610 0.015,611 0.012,612 0.009,613 0.501,614 0.33,615 0.75,616 0.86,617 241.795,618 -0.04,619 -0.031,620 0.039,621 -0.013,622 -0.043,623 0.032,624 -0.111,625 0.157,626 0.075,627 0.227,628 -0.042,629 0.196,630 0.062,631 -0.079,632 -0.041,633 -0.077,634 -0.004,635 -0.064,636 -0.085,637 -0.119,638 -0.072,639 -0.108,640 -0.095,641 -0.096,642 -0.045,643 0.085,645 0.085,646 0.003,647 0.04,648 0.035,649 -0.055,650 0.026,651 -0.044,652 0.051,653 -0.019,654 -0.001,655 0.009,656 0.024,657 0.002,658 -0.026,659 0.026,660 0.082,661 -0.048,662 0.04,663 -0.024,664 0.077,665 -0.035,666 2.72,667 8.323,668 0.75,669 44.653,670 1.01,671 1.112,672 2.92,673 8.525,674 0.694,675 3.932,676 4.357,677 4.804,678 5.231,679 5.613,680 5.916,681 6.234,682 6.519,683 6.729,684 6.887,685 6.405,686 0.667,687 611.13,688 3.932,689 5.541,690 6.479,691 7.445,692 8.418,693 9.406,694 10.398,695 11.398,696 12.402,697 13.41,698 2.7,700 1,705 1,715 13,720 11,722 24,727 1,739 4,740 1,741 75,743 26,744 4,745 50,747 81,748 35,749 24,750 11,751 13,752 1,756 7,757 9,758 1,764 1,766 1,767 2,768 2,770 2,772 26,773 9,774 2,777 2,782 2,786 2,793 31,794 8,795 2,796 9,797 1,802 2,808 0.429,809 6,825 1,828 3,829 4,832 2,843 1,853 1,859 3,864 4,865 1,868 44,876 1,877 2,878 4,880 2,882 2,892 1,893 8,896 2,898 4,901 22.5,902 14.893,903 9.701,904 4.23,907 2.531,908 1.274,909 0.986,910 7.072,911 11.761,912 4.174,913 4.812,914 5.453,915 6.061,916 6.65,917 6.998,918 7.465,919 7.93,920 8.349,921 8.754,922 0.857,923 94,924 16.506,926 7.595,927 0.026,929 7.76,931 31.08,933 27.004,936 2.26,937 99.444,941 341.362,942 222.255,943 36.022,944 39.149,945 94.289,948 222.255,949 474.8,950 36.022,951 43.532,952 20.545,953 141.202,954 60.128,955 87.158,957 341.362,958 39.149,959 341.362,960 258.277,961 94.289,962 39.149,964 329.591,965 106.061,968 38.556,969 219.721,970 39.149,972 341.362,973 130.311,974 261.404,977 341.362,978 55.532,979 166.723,980 36.022,981 133.438,982 341.362,983 130.311,984 261.404,986 0.59,987 0.383,988 0.228,989 0.135,990 42,991 19,992 0.074,993 6,994 2,995 1.182,996 4.582,997 562.479,998 0.121,999 35,1000 236.215,1005 29.022,1006 10.722,1007 3.973,1009 130.311,1010 24.497,1015 6.79,1017 36.022,1018 733.077,1019 64,1024 29.908,1028 -0.471,1031 75.745,1032 83.425,1034 0.249,1035 0.58,1036 0.725,1037 0.832,1038 0.865,1039 0.882,1040 5.485,1041 2.126,1042 6.535,1043 7.932,1044 5.043,1045 5.501,1046 2.95,1047 7.565,1048 4.98,1049 6.732,1050 1.934,1051 8.234,1052 6.782,1053 4.934,1054 5.453,1055 1.796,1056 9.165,1057 4.862,1058 8.101,1059 1.84,1060 10.061,1061 5.895,1062 6.87,1063 7.723,1064 3.591,1065 12.456,1066 6.783,1067 9.513,1068 1.746,1069 11.977,1070 5.675,1071 7.65,1072 8.463,1073 3.441,1074 15.028,1075 7.566,1076 10.966,1077 1.653,1078 13.96,1079 4.999,1080 9.139,1081 10.248,1082 4.682,1083 18.039,1084 9.049,1085 12.45,1086 1.607,1087 15.994,1088 4.621,1089 10.297,1090 11.341,1091 5.007,1092 20.911,1093 10.212,1094 13.96,1095 1.376,1096 18.069,1097 4.105,1098 11.684,1099 12.939,1100 5.993,1101 23.885,1102 11.596,1103 4.136,1104 1.141,1105 20.175,1106 3.699,1107 12.993,1108 14.206,1109 6.528,1110 26.834,1111 12.905,1112 3.232,1113 19.667,1114 22.305,1115 2.793,1116 14.373,1117 15.723,1118 7.391,1119 29.808,1120 14.283,1121 3.042,1122 12.835,1123 24.453,1124 4.459,1125 15.741,1126 17.081,1127 8.024,1128 32.778,1129 15.649,1130 2.844,1131 10.63,1132 26.615,1133 4.131,1134 17.133,1135 18.563,1136 8.824,1137 35.754,1138 17.037,1139 2.754,1140 9.403,1141 28.787,1142 3.949,1143 18.527,1144 19.97,1145 9.506,1146 38.73,1147 18.426,1148 2.488,1149 9.075,1150 30.967,1151 3.698,1152 19.93,1153 21.44,1154 10.274,1155 41.708,1156 19.824,1157 2.388,1158 8.234,1159 33.154,1160 3.515,1161 21.336,1162 22.874,1163 10.98,1164 44.685,1165 21.224,1166 24046,1167 40649,1168 33.115,1169 52.017,1170 77.726,1171 80.681,1172 84.563,1173 77.067,1174 77.161,1175 97.197,1176 16.318,1177 251.108,1178 74.187,1179 6.183,1180 6.566,1181 8.877,1182 6.185,1183 6.136,1184 7.459,1185 3.618,1186 29.782,1187 6.106,1188 23.671,1189 1.555,1190 1.614,1191 1.691,1192 1.541,1193 1.543,1194 1.944,1195 0.326,1196 5.022,1197 1.484,1198 4.181,1199 4.201,1200 4.162,1201 4.108,1202 7.432,1203 4.114,1204 3.94,1205 3.955,1206 3.973,1207 3.869,1208 7.423,1209 3.873,1210 3.923,1211 3.942,1212 3.883,1213 3.86,1214 4.97,1215 3.859,1216 3.863,1217 3.885,1218 3.804,1219 3.795,1220 4.917,1221 3.794,1222 3.638,1223 3.66,1224 3.677,1225 3.522,1226 4.9,1227 3.531,1228 3.373,1229 3.402,1230 3.438,1231 3.161,1232 4.753,1233 3.19,1234 3.314,1235 3.353,1236 3.233,1237 3.121,1238 4.496,1239 3.135,1240 3.25,1241 3.315,1242 3.068,1243 2.963,1244 4.495,1245 2.973,1246 0.104,1247 0.091,1248 0.181,1249 0.103,1250 0.083,1251 5.205,1252 0.089,1253 4.566,1254 0.042,1255 9.075,1256 0.393,1257 5.129,1258 0.082,1259 4.136,1260 4.459,1261 2.081,1262 19.667,1263 4.106,1264 1.964,1265 1.945,1266 2.066,1267 2.044,1268 1.396,1269 2.05,1270 1.901,1271 1.881,1272 1.988,1273 1.979,1274 1.2,1275 1.983,1276 1.88,1277 1.872,1278 1.954,1279 1.976,1280 1.128,1281 1.967,1282 1.852,1283 1.832,1284 1.939,1285 1.936,1286 1.06,1287 1.943,1288 1.628,1289 1.61,1290 1.731,1291 1.781,1292 0.956,1293 1.76,1294 1.401,1295 1.357,1296 1.589,1297 1.624,1298 0.755,1299 1.613,1300 1.234,1301 1.185,1302 1.576,1303 1.525,1304 0.595,1305 1.541,1306 1.198,1307 1.135,1308 1.574,1309 1.522,1310 0.576,1311 1.538,1312 4.615,1314 6.014,1315 3.434,1316 7.638,1317 6.075,1318 9.372,1319 8.424,1320 11.173,1322 6.27,1323 6.597,1328 0.26,1329 6.839,1330 22.534,1332 -0.982,1334 -2.797,1340 50.061,1341 116.547,1342 270.95,1343 338.526,1344 388.632,1345 404.142,1346 412.142,1347 104.074,1348 9.231,1349 95.12,1350 95.12,1351 39,1352 13.866,1353 4.755,1354 3.907,1355 59.173,1356 156,1357 207,1358 0.177,1359 299.664,1360 536.93,1361 722.94,1362 113845,1363 1.3,1364 30.802,1365 0.7,1366 0.578,1367 31.302,1368 25.451,1369 21.32,1370 0.426,1371 0.293,1372 14.084,1373 20.162,1374 13.622,1375 11.22,1376 21.609,1377 14.661,1378 19.429,1379 0.252,1380 0.153,1381 19.837,1382 11.797,1383 18.497,1384 0.153,1385 0.081,1386 18.76,1387 9.769,1388 16.854,1389 0.091,1390 0.043,1391 17.065,1392 7.909,1393 15.015,1394 0.055,1395 0.023,1396 15.324,1397 6.245,1398 0.261,1399 137.503,1400 0.174,1401 36.577,1402 0.555,1403 254,1404 733.282,1405 289.792,1406 723.82,1407 989.57,1408 680,1409 325,1410 705.543,1411 357.668,1412 729.749,1413 1091.81,1414 683,1415 5.083}
{0 CHEMBL1288825,1 1.578,2 9.317,3 6.163,4 37.976,5 157.507,6 8.739,7 0.511,8 4.33,9 4.417,10 4.039,11 3.976,12 5.46,13 3.956,14 4.887,15 5.004,16 4.503,17 4.446,18 5.966,19 4.414,20 5.198,21 5.33,22 4.73,23 4.681,24 6.307,25 4.634,26 5.41,27 5.561,28 4.845,29 4.817,30 6.53,31 4.768,32 5.561,33 5.72,34 5.013,35 4.937,36 6.777,37 4.888,38 5.604,39 5.76,40 5.086,41 5.034,42 6.819,43 4.963,44 5.665,45 5.839,46 5.052,47 4.996,48 6.886,49 4.916,50 5.521,51 5.704,52 4.824,53 4.82,54 6.683,55 4.717,56 0.069,57 0.845,58 10.045,59 5.868,60 11.259,61 6.896,62 0.294,63 1.465,64 21.431,65 10.694,66 37.023,67 12.491,68 0.469,69 1.998,70 33.587,71 15.022,72 59.362,73 17.924,74 0.579,75 2.491,76 44.326,77 18.413,78 89.173,79 21.53,80 1.125,81 2.817,82 55.337,83 21.715,84 154.195,85 25.096,86 0.835,87 2.906,88 59.709,89 23.97,90 125.044,91 28.774,92 1.133,93 3.035,94 70.194,95 25.897,96 160.481,97 30.528,98 1.07,99 2.604,100 62.004,101 22.929,102 135.107,103 27.298,104 41,105 73,106 0.245,107 0.567,108 0.716,109 0.833,110 0.871,111 0.882,112 3.743,113 0.9,114 -5.48,115 -5.36,116 -5,121 49.3,123 1,124 1,125 1,126 2,129 1,132 1,144 14,145 5,146 5,159 1,160 1,176 19,180 4,183 1,185 6,187 27,191 1,192 10,195 1,196 1,197 8,200 29,206 10,209 1,211 8,214 25,218 2,219 11,222 1,224 13,227 35,231 1,232 14,237 6,239 46,244 14,247 2,249 5,251 46,255 2,256 9,259 2,261 2,264 30,269 12,277 15,281 3322,282 28.075,283 28.075,284 28.075,285 28.075,286 28.075,287 24.937,288 33.505,289 15.873,290 28.717,291 23.027,292 23.027,293 23.027,294 23.027,295 23.027,296 18.173,297 43.624,298 7.29,299 23.962,300 4.488,301 2.415,302 1.45,303 0.696,304 0.452,305 0.381,306 4.462,308 2,313 847,314 3.873,317 239.433,318 433.237,321 289.132,325 1.267,326 53.816,329 0.5,330 0.67,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.72,337 87.667,338 382,339 5.206,340 4.567,341 9.075,342 5.13,343 4.137,344 4.461,345 2.081,346 19.671,347 4.107,348 4.513,349 3.847,350 7.45,351 4.229,352 3.237,353 4.131,354 1.277,355 12.887,356 3.211,357 4.345,358 3.418,359 6.729,360 4.032,361 3.052,362 3.894,363 0.86,364 10.767,365 2.99,366 4.097,367 3.188,368 6.338,369 3.734,370 2.774,371 3.616,372 0.86,373 9.419,374 2.667,375 4.01,376 3.06,377 6.07,378 3.629,379 2.67,380 3.513,381 0.818,382 8.62,383 2.539,384 3.839,385 3.01,386 6.007,387 3.443,388 2.487,389 3.227,390 0.467,391 8.234,392 2.367,393 3.559,394 2.815,395 5.834,396 3.188,397 2.239,398 2.839,399 0.076,400 7.402,401 2.11,402 3.302,403 2.579,404 5.229,405 2.907,406 1.982,407 2.529,409 5.905,410 1.873,411 3.244,412 2.525,413 5.186,414 2.88,415 1.89,416 2.449,418 5.74,419 1.789,420 3.123,421 2.304,422 4.986,423 2.782,424 1.806,425 2.29,427 5.188,428 1.742,429 3.036,430 2.195,431 4.925,432 2.669,433 1.678,434 2.152,436 4.998,437 1.603,438 2.886,439 1.94,440 4.457,441 2.454,442 1.469,443 2.046,445 3.786,446 1.447,447 2.844,448 1.741,449 4.38,450 2.348,451 1.414,452 1.97,454 3.631,455 1.271,456 2.665,457 1.511,458 4.125,459 2.293,460 1.348,461 1.657,463 3.005,464 1.23,465 2.5,466 1.32,467 3.895,468 2.091,469 1.11,470 1.5,472 2.793,473 1.085,474 20.062,475 0.489,476 1.165,477 0.028,478 55,479 1.341,480 28.5,481 0.695,482 26.5,483 0.646,484 44.837,485 1.094,486 41.738,487 0.623,488 53.004,489 1.293,490 10.744,491 0.262,492 9.106,493 0.222,494 0.154,495 0.05,496 0.349,501 0.684,502 1.016,503 0.559,504 0.83,505 0.561,506 0.782,507 0.86,508 0.976,509 0.632,510 0.775,511 0.638,512 0.776,513 0.808,514 1.122,515 0.833,516 1.002,517 0.902,518 0.966,519 1.045,520 1.138,521 0.885,522 1.011,523 1.253,524 0.986,525 1.099,526 0.935,527 0.823,528 0.847,529 1.319,530 0.858,531 0.854,532 1.037,533 0.949,534 1.011,535 1.011,536 0.98,537 1.087,538 0.988,539 1.035,540 1.01,541 1.324,542 0.996,543 1.105,544 1.003,545 1.119,546 1.028,547 1.13,548 1.061,549 9,550 0.185,551 7.111,552 5.597,553 4.694,554 3.555,555 2.136,556 1.308,557 0.969,558 0.46,559 21174,560 61918,561 2.147,562 38.8,563 2,564 21,567 2,569 1,572 1.822,573 1.984,574 3.107,575 0.088,582 105.752,583 1.578,584 3.651,585 4.616,586 5.37,587 5.614,588 5.685,589 2.59,590 4.967,591 5.326,592 3.309,593 2713.19,594 9.513,595 42322.9,600 406.428,601 1.662,602 5.272,603 0.191,604 0.006,605 0.097,606 0.064,607 0.048,608 0.032,609 0.018,610 0.012,611 0.012,612 0.008,613 0.49,614 0.17,615 0.63,616 0.749,617 219.658,618 -0.04,619 0.025,620 0.018,621 0.03,622 -0.044,623 0.05,624 -0.053,625 0.053,626 0.038,627 0.118,628 -0.021,629 0.095,630 0.037,631 -0.097,632 -0.041,633 -0.086,634 -0.017,635 -0.069,636 -0.096,637 -0.093,638 -0.08,639 -0.093,640 -0.111,641 -0.08,642 0.001,643 0.089,644 0.034,645 0.093,646 0.017,647 0.065,648 0.036,649 -0.052,650 0.009,651 -0.043,652 0.082,653 -0.025,654 -0.009,655 -0.012,656 0.001,657 -0.019,658 -0.018,659 -0.019,660 -0.005,661 -0.044,662 -0.05,663 -0.021,664 -0.05,665 -0.064,666 2.7,667 8.169,668 0.805,669 38.173,670 1.01,671 1.106,672 4.248,673 18.047,674 0.723,675 3.871,676 4.304,677 4.754,678 5.193,679 5.587,680 5.886,681 6.192,682 6.46,683 6.648,684 6.786,685 5.976,686 0.693,687 585.51,688 3.871,689 5.485,690 6.425,691 7.396,692 8.374,693 9.366,694 10.364,695 11.368,696 12.376,697 13.387,698 3,700 1,705 1,715 14,720 10,722 24,727 1,739 2,740 2,741 67,743 26,744 4,745 47,747 73,748 33,749 24,750 10,751 14,752 1,756 7,757 9,758 2,764 1,766 1,767 2,768 2,770 2,772 26,773 7,774 2,777 2,782 2,786 2,793 26,794 6,795 2,796 8,797 2,802 2,808 0.429,809 4,825 1,828 3,829 4,832 2,843 1,853 1,859 3,864 2,865 2,868 41,876 1,877 2,878 2,880 2,882 2,892 2,893 6,896 2,898 2,901 20.667,902 12.786,903 8.868,904 3.905,907 2.544,908 1.279,909 1.007,910 6.216,911 11.648,912 4.127,913 4.771,914 5.407,915 6.018,916 6.609,917 6.941,918 7.407,919 7.869,920 8.276,921 8.669,922 1,923 88,924 15.4,926 7.21,927 0.026,929 7.766,931 29.023,933 25.707,936 2.266,937 92.889,941 282.506,942 202.979,943 36.022,944 78.297,945 72.29,948 202.979,949 433.093,950 36.022,951 21.766,952 20.545,953 150.678,954 60.128,955 58.172,957 282.506,958 78.297,959 282.506,960 239,961 72.29,962 78.297,964 270.735,965 84.061,968 38.556,969 200.444,970 78.297,972 282.506,973 108.311,974 281.276,977 282.506,978 48.545,979 154.434,980 36.022,981 150.587,982 282.506,983 108.311,984 281.276,986 0.595,987 0.381,988 0.229,989 0.141,990 41,991 18,992 0.055,993 4,994 2,995 1.182,996 4.403,997 516.645,998 0.121,999 35,1000 213.66,1005 26.542,1006 9.601,1007 3.53,1009 108.311,1010 26.343,1015 6.24,1017 36.022,1018 672.094,1019 61,1024 29.627,1028 -0.461,1031 67.647,1032 74.12,1034 0.26,1035 0.602,1036 0.761,1037 0.885,1038 0.926,1039 0.937,1040 5.438,1041 1.982,1042 6.485,1043 7.402,1044 4.99,1045 5.46,1046 2.782,1047 7.522,1048 4.928,1049 6.688,1050 1.89,1051 8.188,1052 5.905,1053 4.89,1054 5.394,1055 1.796,1056 9.142,1057 4.805,1058 8.058,1059 1.806,1060 10.022,1061 5.74,1062 6.823,1063 7.678,1064 3.529,1065 12.442,1066 6.738,1067 9.47,1068 1.678,1069 11.946,1070 5.188,1071 7.616,1072 8.405,1073 3.441,1074 15.025,1075 7.527,1076 10.925,1077 1.469,1078 13.936,1079 4.998,1080 9.109,1081 10.203,1082 4.667,1083 18.039,1084 9.02,1085 12.412,1086 1.414,1087 15.977,1088 3.786,1089 10.277,1090 11.291,1091 5.007,1092 20.912,1093 10.19,1094 13.925,1095 1.348,1096 18.058,1097 3.631,1098 11.668,1099 12.896,1100 5.99,1101 23.888,1102 11.58,1103 4.137,1104 1.11,1105 20.168,1106 3.005,1107 12.983,1108 14.162,1109 6.528,1110 26.837,1111 12.894,1112 3.237,1113 19.671,1114 22.301,1115 2.793,1116 14.366,1117 15.684,1118 7.39,1119 29.811,1120 14.275,1121 3.052,1122 12.887,1123 24.451,1124 4.461,1125 15.738,1126 17.042,1127 8.024,1128 32.781,1129 15.644,1130 2.774,1131 10.767,1132 26.615,1133 4.131,1134 17.132,1135 18.529,1136 8.824,1137 35.757,1138 17.034,1139 2.67,1140 9.419,1141 28.788,1142 3.894,1143 18.528,1144 19.937,1145 9.506,1146 38.733,1147 18.424,1148 2.487,1149 8.62,1150 30.969,1151 3.616,1152 19.932,1153 21.409,1154 10.274,1155 41.711,1156 19.823,1157 2.239,1158 8.234,1159 33.155,1160 3.513,1161 21.339,1162 22.846,1163 10.98,1164 44.689,1165 21.224,1166 19760,1167 33883,1168 31.323,1169 48.443,1170 73.908,1171 76.542,1172 79.484,1173 73.299,1174 73.115,1175 92.977,1176 12.878,1177 238.879,1178 70.302,1179 6.185,1180 6.567,1181 8.877,1182 6.186,1183 6.137,1184 7.461,1185 3.618,1186 29.792,1187 6.107,1188 20.555,1189 1.573,1190 1.629,1191 1.691,1192 1.56,1193 1.556,1194 1.978,1195 0.274,1196 5.083,1197 1.496,1198 4.18,1199 4.199,1200 4.173,1201 4.109,1202 7.432,1203 4.114,1204 3.94,1205 3.954,1206 4,1207 3.869,1208 7.423,1209 3.873,1210 3.916,1211 3.939,1212 3.942,1213 3.865,1214 4.969,1215 3.859,1216 3.851,1217 3.877,1218 3.83,1219 3.803,1220 4.917,1221 3.793,1222 3.626,1223 3.651,1224 3.679,1225 3.52,1226 4.901,1227 3.524,1228 3.373,1229 3.402,1230 3.435,1231 3.161,1232 4.751,1233 3.189,1234 3.268,1235 3.315,1236 3.294,1237 3.104,1238 4.495,1239 3.111,1240 3.25,1241 3.312,1242 3.206,1243 2.963,1244 4.45,1245 2.973,1246 0.111,1247 0.097,1248 0.193,1249 0.109,1250 0.088,1251 5.206,1252 0.095,1253 4.567,1254 0.044,1255 9.075,1256 0.419,1257 5.13,1258 0.087,1259 4.137,1260 4.461,1261 2.081,1262 19.671,1263 4.107,1264 1.966,1265 1.945,1266 2.065,1267 2.032,1268 1.396,1269 2.047,1270 1.901,1271 1.881,1272 1.99,1273 1.979,1274 1.2,1275 1.982,1276 1.88,1277 1.872,1278 1.955,1279 1.971,1280 1.128,1281 1.967,1282 1.854,1283 1.831,1284 1.941,1285 1.924,1286 1.058,1287 1.939,1288 1.627,1289 1.607,1290 1.733,1291 1.773,1292 0.955,1293 1.754,1294 1.394,1295 1.346,1296 1.575,1297 1.594,1298 0.755,1299 1.59,1300 1.234,1301 1.185,1302 1.566,1303 1.522,1304 0.594,1305 1.538,1306 1.193,1307 1.124,1308 1.556,1309 1.52,1310 0.574,1311 1.533,1312 4.554,1314 5.958,1315 3.434,1316 7.587,1317 6.075,1318 9.327,1319 8.424,1320 11.134,1322 3.106,1323 13.488,1328 0.271,1329 6.799,1330 11.191,1332 -0.958,1334 -2.758,1340 46.405,1341 105.752,1342 244.603,1343 309.251,1344 359.799,1345 376.163,1346 380.918,1347 95.42,1348 9.104,1349 76.66,1350 76.66,1351 39,1352 13.841,1353 4.755,1354 3.907,1355 53.29,1356 136,1357 173,1358 0.184,1359 280.82,1360 499.96,1361 676.96,1362 98590,1363 3,1364 28.518,1365 0.696,1366 0.582,1367 29.518,1368 23.845,1369 19.851,1370 0.422,1371 0.3,1372 13.251,1373 18.705,1374 12.845,1375 10.516,1376 20.428,1377 14.093,1378 18.445,1379 0.253,1380 0.159,1381 19.224,1382 11.611,1383 17.4,1384 0.151,1385 0.083,1386 18.02,1387 9.587,1388 15.935,1389 0.089,1390 0.044,1391 16.435,1392 7.811,1393 14.446,1394 0.054,1395 0.024,1396 15.042,1397 6.264,1398 0.269,1399 129.629,1400 0.179,1401 34.431,1402 0.585,1403 240,1404 656.015,1405 285.555,1406 693.197,1407 940.16,1408 648,1409 308,1410 651.314,1411 346.288,1412 684.95,1413 1029.28,1414 645,1415 4.914}
{0 CHEMBL1288826,1 1.631,2 9.488,3 4.934,4 24.34,5 155.439,6 8.4,7 0.49,8 4.371,9 4.46,10 4.038,11 3.958,12 5.583,13 3.961,14 4.921,15 5.037,16 4.482,17 4.423,18 6.154,19 4.419,20 5.228,21 5.364,22 4.692,23 4.654,24 6.424,25 4.637,26 5.452,27 5.608,28 4.801,29 4.795,30 6.635,31 4.771,32 5.582,33 5.75,34 4.901,35 4.904,36 6.8,37 4.873,38 5.637,39 5.803,40 4.976,41 4.988,42 6.867,43 4.949,44 5.725,45 5.903,46 4.969,47 4.955,48 7.04,49 4.922,50 5.617,51 5.798,52 4.823,53 4.779,54 7.018,55 4.749,56 0.219,57 1.014,58 10.875,59 6.333,60 14.412,61 6.997,62 0.522,63 1.709,64 21.987,65 11.248,66 74.24,67 12.52,68 0.679,69 2.348,70 31.17,71 15.327,72 79.61,73 17.447,74 0.932,75 2.802,76 42.577,77 18.782,78 134.539,79 21.434,80 1.351,81 3.068,82 51.702,83 21.726,84 193.579,85 25.377,86 1.167,87 3.349,88 52.085,89 23.523,90 138.399,91 28.354,92 1.677,93 3.598,94 62.356,95 25.321,96 256.743,97 29.514,98 1.892,99 3.259,100 58.485,101 22.867,102 288.04,103 26.038,104 59,105 76,106 0.251,107 0.578,108 0.726,109 0.831,110 0.855,111 0.86,112 3.789,113 0.841,114 -5.06,115 -4.96,116 -4.64,121 47.8,123 1,124 1,125 1,126 2,129 1,132 1,144 14,145 5,146 5,159 1,160 1,168 2,176 19,179 1,180 6,183 1,185 6,187 24,191 1,192 16,195 1,196 1,197 8,200 25,206 14,209 1,211 9,214 24,218 2,219 13,222 3,224 10,227 36,231 2,232 17,235 4,237 6,239 42,243 3,244 19,247 2,249 4,251 34,255 4,256 24,259 2,261 1,264 19,269 26,277 7,281 3868,282 29.229,283 29.229,284 29.229,285 29.229,286 29.229,287 25.868,288 38.229,289 16.44,290 29.744,291 23.995,292 23.995,293 23.995,294 23.995,295 23.995,296 18.761,297 49.86,298 7.55,299 24.633,300 4.477,301 2.345,302 1.385,303 0.699,304 0.544,305 0.515,306 4.505,312 1,313 897,314 4.243,317 259.498,318 463.623,321 311.206,325 1.383,326 74.483,329 0.75,330 0.5,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.73,337 95,338 408,339 5.205,340 4.566,341 9.075,342 5.129,343 4.136,344 4.466,345 2.612,346 19.666,347 4.106,348 4.521,349 3.849,350 7.441,351 4.23,352 3.235,353 4.158,354 2.081,355 12.835,356 3.216,357 4.325,358 3.772,359 6.675,360 4.008,361 3.024,362 3.904,363 1.277,364 10.607,365 2.982,366 4.161,367 3.355,368 6.328,369 3.752,370 2.78,371 3.685,372 0.86,373 9.397,374 2.7,375 4.034,376 3.179,377 6.085,378 3.662,379 2.693,380 3.516,381 0.86,382 8.553,383 2.605,384 3.956,385 2.941,386 5.951,387 3.541,388 2.562,389 3.469,390 0.818,391 8.144,392 2.5,393 3.716,394 2.902,395 5.79,396 3.324,397 2.357,398 3.092,399 0.467,400 7.617,401 2.268,402 3.546,403 2.722,404 5.627,405 3.153,406 2.191,407 2.842,408 0.076,409 6.867,410 2.101,411 3.33,412 2.563,413 5.208,414 2.953,415 1.961,416 2.551,418 5.935,419 1.931,420 3.205,421 2.538,422 5.121,423 2.84,424 1.85,425 2.385,427 5.663,428 1.827,429 3.088,430 2.197,431 5.014,432 2.739,433 1.755,434 2.27,436 5.211,437 1.718,438 3.008,439 2.027,440 4.646,441 2.654,442 1.671,443 2.133,445 4.531,446 1.634,447 2.894,448 1.909,449 4.457,450 2.32,451 1.374,452 1.978,454 3.699,455 1.281,456 2.696,457 1.829,458 4.293,459 2.216,460 1.218,461 1.689,463 2.893,464 1.215,465 2.5,466 1.333,467 3.971,468 2.115,469 1.135,470 1.5,472 2.791,473 1.107,474 19.986,475 0.465,476 1.272,477 0.03,478 59.5,479 1.384,480 31.5,481 0.733,482 28,483 0.651,484 43.175,485 1.004,486 44.814,487 0.649,488 61.441,489 1.429,490 11.813,491 0.275,492 8.931,493 0.208,494 0.131,495 0.05,496 0.37,499 1,501 0.556,502 0.935,503 0.644,504 0.911,505 0.506,506 0.826,507 0.721,508 0.947,509 0.73,510 0.882,511 0.505,512 0.829,513 0.744,514 1.072,515 0.859,516 1.068,517 0.723,518 1.01,519 0.907,520 0.988,521 0.975,522 1.039,523 0.943,524 1.023,525 0.838,526 0.793,527 0.912,528 0.895,529 0.837,530 0.917,531 0.655,532 0.939,533 0.872,534 1.036,535 0.739,536 1.02,537 0.965,538 0.96,539 0.987,540 1.024,541 1.082,542 1.017,543 1.11,544 1.1,545 1.05,546 1.045,547 1.145,548 1.04,549 10,550 0.406,551 7.556,552 5.597,553 4.739,554 3.589,555 2.203,556 1.571,557 1.247,558 0.583,559 24156,560 76102,561 2.125,562 37.7,563 2,564 21,567 2,569 1,572 1.833,573 1.955,574 3.18,575 0.114,582 112.547,583 1.631,584 3.763,585 4.723,586 5.409,587 5.565,588 5.594,589 2.643,590 4.908,591 5.392,592 3.401,593 3071.12,594 9.646,595 49765.7,600 421.488,601 1.683,602 5.336,603 0.204,604 0.009,605 0.099,606 0.062,607 0.047,608 0.032,609 0.019,610 0.014,611 0.013,612 0.008,613 0.508,614 0.17,615 0.75,616 0.821,617 234.628,618 0.052,619 0.066,620 0.047,621 0.062,622 -0.016,623 0.053,624 0.005,625 0.02,626 0.05,627 0.102,628 0.078,629 0.089,630 0.005,631 -0.066,632 -0.035,633 -0.088,634 -0.004,635 -0.076,636 -0.101,637 -0.051,638 -0.092,639 -0.07,640 -0.09,641 -0.074,642 -0.025,643 0.066,644 0.005,645 0.078,646 -0.013,647 0.056,648 0.056,649 -0.032,650 0.015,651 -0.052,652 0.02,653 -0.037,654 -0.007,655 -0.03,656 -0.01,657 -0.041,658 -0.035,659 -0.031,660 0.033,661 -0.087,662 -0.019,663 -0.051,664 0.023,665 -0.053,666 2.968,667 8.127,668 0.767,669 43.766,670 1.02,671 1.117,672 3.827,673 14.649,674 0.693,675 3.912,676 4.344,677 4.779,678 5.204,679 5.598,680 5.911,681 6.227,682 6.501,683 6.707,684 6.858,685 6.312,686 0.682,687 579.62,688 3.912,689 5.525,690 6.46,691 7.426,692 8.399,693 9.387,694 10.38,695 11.382,696 12.386,697 13.396,698 4.3,700 1,705 1,709 1,715 14,720 10,722 24,727 1,735 1,739 2,740 1,741 69,743 28,744 4,745 49,747 75,748 33,749 24,750 10,751 14,752 1,756 7,757 9,764 1,766 1,767 2,768 2,770 2,772 26,773 7,774 2,777 4,779 1,782 4,786 2,791 1,793 26,794 9,795 2,796 10,802 3,808 0.429,809 6,825 1,828 3,829 4,832 2,843 1,853 1,859 3,864 2,866 1,868 43,876 1,877 2,878 2,880 2,882 2,892 1,893 8.7,896 2,898 2,899 2,901 22,902 13.176,903 9.285,904 3.979,907 2.639,908 1.286,909 0.997,910 6.26,911 11.875,912 4.19,913 4.836,914 5.453,915 6.054,916 6.655,917 7.026,918 7.504,919 7.954,920 8.368,921 8.764,922 1,923 91,924 16.254,926 7.756,927 0.026,929 8.027,931 29.853,933 26.294,936 2.527,937 108.667,941 282.506,942 207.855,943 41.692,945 123.037,946 14.96,948 207.855,949 405.543,950 56.652,951 27.436,952 20.545,953 150.678,954 60.128,955 63.049,956 14.96,957 282.506,958 50.747,959 282.506,960 249.547,961 137.997,964 285.695,965 84.061,966 50.747,968 38.556,969 205.321,970 5.67,972 297.467,973 164.728,974 207.855,977 282.506,978 53.422,979 160.104,980 36.022,981 137.997,982 282.506,983 179.688,984 207.855,986 0.597,987 0.377,988 0.218,989 0.134,990 42,991 19,992 0.067,993 5,994 2,995 1.182,996 4.536,997 545.611,998 0.121,999 35,1000 223.329,1005 27.42,1006 9.817,1007 3.689,1009 174.018,1010 22.909,1015 3.301,1017 36.022,1018 670.05,1019 65,1021 -0.522,1024 53.441,1028 -0.813,1031 70.385,1032 77.073,1034 0.267,1035 0.616,1036 0.773,1037 0.885,1038 0.911,1039 0.916,1040 5.497,1041 2.191,1042 6.521,1043 7.617,1044 5.03,1045 5.525,1046 3.309,1047 7.548,1048 4.99,1049 6.751,1050 1.961,1051 8.219,1052 6.867,1053 4.934,1054 5.497,1055 2.749,1056 9.152,1057 4.885,1058 8.121,1059 1.85,1060 10.047,1061 5.935,1062 6.855,1063 7.752,1064 4.573,1065 12.444,1066 6.793,1067 9.532,1068 1.755,1069 11.964,1070 5.663,1071 7.641,1072 8.504,1073 4.794,1074 15.022,1075 7.576,1076 10.984,1077 1.671,1078 13.948,1079 5.211,1080 9.126,1081 10.279,1082 6.191,1083 18.035,1084 9.056,1085 12.466,1086 1.374,1087 15.984,1088 4.531,1089 10.287,1090 11.378,1091 6.748,1092 20.909,1093 10.216,1094 13.974,1095 1.218,1096 18.06,1097 3.699,1098 11.674,1099 12.969,1100 7.946,1101 23.884,1102 11.599,1103 4.136,1104 1.135,1105 20.168,1106 2.893,1107 12.984,1108 14.238,1109 8.673,1110 26.834,1111 12.907,1112 3.235,1113 19.666,1114 22.299,1115 2.791,1116 14.366,1117 15.751,1118 9.767,1119 29.808,1120 14.284,1121 3.024,1122 12.835,1123 24.449,1124 4.466,1125 15.736,1126 17.11,1127 10.589,1128 32.778,1129 15.65,1130 2.78,1131 10.607,1132 26.612,1133 4.158,1134 17.129,1135 18.591,1136 11.626,1137 35.754,1138 17.038,1139 2.693,1140 9.397,1141 28.785,1142 3.904,1143 18.524,1144 19.998,1145 12.503,1146 38.73,1147 18.427,1148 2.562,1149 8.553,1150 30.966,1151 3.685,1152 19.928,1153 21.467,1154 13.508,1155 41.708,1156 19.825,1157 2.357,1158 8.144,1159 33.152,1160 3.516,1161 21.335,1162 22.903,1163 14.419,1164 44.685,1165 21.225,1166 22695,1167 40392,1168 32.422,1169 47.818,1170 77.031,1171 80.436,1172 82.712,1173 76.293,1174 76.359,1175 98.634,1176 18.103,1177 248.369,1178 74.618,1179 6.183,1180 6.566,1181 8.877,1182 6.185,1183 6.136,1184 7.466,1185 4.612,1186 29.782,1187 6.106,1188 23.327,1189 1.572,1190 1.642,1191 1.688,1192 1.557,1193 1.558,1194 2.013,1195 0.369,1196 5.069,1197 1.523,1198 4.187,1199 4.208,1200 4.152,1201 4.109,1202 8.201,1203 4.115,1204 3.976,1205 3.996,1206 3.944,1207 3.874,1208 7.815,1209 3.884,1210 3.924,1211 3.945,1212 3.874,1213 3.861,1214 7.432,1215 3.859,1216 3.855,1217 3.884,1218 3.792,1219 3.794,1220 7.423,1221 3.789,1222 3.71,1223 3.734,1224 3.683,1225 3.529,1226 6.999,1227 3.549,1228 3.51,1229 3.536,1230 3.466,1231 3.203,1232 4.921,1233 3.265,1234 3.324,1235 3.37,1236 3.234,1237 3.117,1238 4.785,1239 3.135,1240 3.25,1241 3.315,1242 3.121,1243 2.963,1244 4.695,1245 2.973,1246 0.106,1247 0.093,1248 0.185,1249 0.105,1250 0.084,1251 5.205,1252 0.091,1253 4.566,1254 0.053,1255 9.075,1256 0.401,1257 5.129,1258 0.084,1259 4.136,1260 4.466,1261 2.612,1262 19.666,1263 4.106,1264 1.966,1265 1.944,1266 2.071,1267 2.077,1268 1.395,1269 2.052,1270 1.923,1271 1.9,1272 2.004,1273 2.039,1274 1.204,1275 2.036,1276 1.88,1277 1.872,1278 1.969,1279 1.978,1280 1.131,1281 1.969,1282 1.86,1283 1.834,1284 1.954,1285 1.952,1286 1.059,1287 1.96,1288 1.632,1289 1.613,1290 1.731,1291 1.79,1292 0.956,1293 1.764,1294 1.391,1295 1.345,1296 1.575,1297 1.662,1298 0.75,1299 1.588,1300 1.234,1301 1.193,1302 1.566,1303 1.592,1304 0.593,1305 1.556,1306 1.226,1307 1.185,1308 1.549,1309 1.522,1310 0.574,1311 1.538,1312 4.595,1314 5.999,1315 3.434,1316 7.622,1317 6.075,1318 9.353,1319 8.424,1320 11.152,1322 2.979,1324 14.256,1328 0.107,1329 6.469,1330 11.075,1332 -1.298,1334 -3.236,1340 47.058,1341 112.547,1342 259.663,1343 325.921,1344 373.224,1345 383.978,1346 385.978,1347 118.637,1348 9.236,1349 122.48,1350 122.48,1351 39,1352 13.851,1353 4.858,1354 4.087,1355 57.189,1356 150,1357 187,1358 0.179,1359 277.212,1360 501.55,1361 668.156,1362 115894,1363 1.4,1364 30.095,1365 0.7,1366 0.54,1367 29.225,1368 23.219,1369 20.744,1370 0.423,1371 0.28,1372 13.516,1373 19.833,1374 13.221,1375 10.833,1376 20.351,1377 13.731,1378 19.438,1379 0.256,1380 0.146,1381 18.816,1382 11.095,1383 18.05,1384 0.153,1385 0.078,1386 17.639,1387 9.228,1388 16.2,1389 0.09,1390 0.041,1391 16.049,1392 7.49,1393 14.611,1394 0.054,1395 0.022,1396 14.373,1397 5.917,1398 0.262,1399 131.406,1400 0.176,1401 35.916,1402 0.56,1403 250,1404 812.835,1405 274.523,1406 749.381,1407 1010.78,1408 696,1409 319,1410 741.287,1411 344.548,1412 741.571,1413 1104.65,1414 696,1415 4.845}
{0 CHEMBL1288827,1 1.567,2 10.239,3 4.695,4 22.046,5 168.149,6 8.074,7 0.462,8 4.473,9 4.562,10 4.109,11 4.021,12 5.66,13 4.026,14 5.027,15 5.152,16 4.534,17 4.474,18 6.199,19 4.472,20 5.285,21 5.409,22 4.765,23 4.717,24 6.45,25 4.703,26 5.537,27 5.687,28 4.881,29 4.88,30 6.696,31 4.854,32 5.697,33 5.868,34 4.962,35 4.989,36 6.877,37 4.952,38 5.735,39 5.905,40 5.046,41 5.063,42 6.917,43 5.021,44 5.83,45 6.007,46 5.077,47 5.051,48 7.086,49 5.022,50 5.767,51 5.936,52 4.997,53 4.953,54 7.07,55 4.926,56 0.221,57 1.058,58 13.556,59 7.24,60 14.817,61 8.256,62 0.661,63 1.755,64 28.064,65 12.545,66 81.334,67 14.355,68 0.706,69 2.324,70 34.506,71 16.342,72 67.214,73 19.214,74 0.884,75 2.925,76 47.959,77 20.626,78 115.594,79 24.405,80 1.501,81 3.342,82 61.316,83 24.458,84 190.466,85 29.327,86 1.209,87 3.535,88 60.929,89 26.217,90 134.961,91 32.745,92 1.788,93 3.696,94 72.12,95 27.821,96 248.948,97 33.786,98 1.985,99 3.4,100 67.898,101 25.85,102 253.969,103 30.823,104 90,105 80,106 0.236,107 0.553,108 0.685,109 0.784,110 0.818,111 0.834,112 3.855,113 0.847,114 -3.88,115 -3.83,116 -3.64,121 45.5,123 1,124 1,125 1,126 4,129 1,132 1,144 13,145 5,146 6,159 1,160 1,168 2,176 18,179 1,180 8,183 1,185 6,187 22,191 2,192 20,195 1,196 1,197 8,200 23,206 17,209 1,211 9,214 23,218 2,219 15,222 3,224 9,227 34,231 2,232 19,235 5,237 6,239 37,243 4,244 25,247 3,249 3,251 29,255 6,256 34,259 3,261 1,264 17,268 1,269 30,272 1,277 6,281 4672,282 31.47,283 31.47,284 31.47,285 31.47,286 31.47,287 28.16,288 43.834,289 17.65,290 32.266,291 25.338,292 25.338,293 25.338,294 25.338,295 25.338,296 20.001,297 58.446,298 7.909,299 26.211,300 4.699,301 2.6,302 1.723,303 1.072,304 0.844,305 0.741,306 4.568,313 1028,314 4.528,317 285.133,318 506.369,321 340.62,325 1.401,326 72.15,329 0.5,330 0.5,331 0.67,332 0.6,333 0.5,334 0.5,335 0.5,336 0.54,337 101.5,338 471,339 5.205,340 4.566,341 9.075,342 5.129,343 4.136,344 4.467,345 2.612,346 19.667,347 4.107,348 4.522,349 3.849,350 7.442,351 4.231,352 3.237,353 4.159,354 2.081,355 12.838,356 3.217,357 4.354,358 3.772,359 6.68,360 4.025,361 3.043,362 3.967,363 1.277,364 10.63,365 2.995,366 4.237,367 3.371,368 6.332,369 3.807,370 2.854,371 3.844,372 0.86,373 9.415,374 2.722,375 4.102,376 3.193,377 6.159,378 3.732,379 2.761,380 3.571,381 0.86,382 9.076,383 2.676,384 4.031,385 3.154,386 6.081,387 3.654,388 2.688,389 3.48,390 0.86,391 8.539,392 2.588,393 3.745,394 2.921,395 5.945,396 3.384,397 2.408,398 3.12,399 0.86,400 8.089,401 2.333,402 3.621,403 2.732,404 5.774,405 3.237,406 2.267,407 2.943,408 0.818,409 7.51,410 2.195,411 3.352,412 2.565,413 5.587,414 2.975,415 1.978,416 2.57,417 0.467,418 6.678,419 1.962,420 3.21,421 2.539,422 5.206,423 2.846,424 1.854,425 2.393,426 0.076,427 5.69,428 1.838,429 3.091,430 2.198,431 5.087,432 2.743,433 1.76,434 2.273,436 5.212,437 1.725,438 3.012,439 2.184,440 4.712,441 2.666,442 1.68,443 2.135,445 4.624,446 1.649,447 2.919,448 2.018,449 4.457,450 2.521,451 1.607,452 2.057,454 4.105,455 1.461,456 2.894,457 1.909,458 4.374,459 2.322,460 1.376,461 1.978,463 3.699,464 1.283,465 2.698,466 1.824,467 4.288,468 2.216,469 1.218,470 1.692,472 2.893,473 1.215,474 21.367,475 0.464,476 1.285,477 0.028,478 62.75,479 1.364,480 32.5,481 0.707,482 30.25,483 0.658,484 48.779,485 1.06,486 48.833,487 0.634,488 67.14,489 1.46,490 12.594,491 0.274,492 9.637,493 0.21,494 0.156,495 0.047,496 0.37,501 0.652,502 1.097,503 0.685,504 1.012,505 0.535,506 0.884,507 0.938,508 0.913,509 0.761,510 0.788,511 0.564,512 0.745,513 0.724,514 1.152,515 0.829,516 1.077,517 0.708,518 0.997,519 0.947,520 1.163,521 0.978,522 1.095,523 1.052,524 1.049,525 0.986,526 0.937,527 0.975,528 0.915,529 1.028,530 0.936,531 0.677,532 1.07,533 0.856,534 1.057,535 0.816,536 1.012,537 0.987,538 0.99,539 0.923,540 0.986,541 1.132,542 0.948,543 1.051,544 1.048,545 0.996,546 1.047,547 1.055,548 1.019,549 10.5,550 0.554,551 8,552 5.91,553 5.01,554 3.801,555 2.381,556 1.893,557 1.436,558 0.762,559 28451,560 85647,561 2.104,562 40.3,563 2,564 26,567 2,569 1,572 1.849,573 1.93,574 3.251,575 0.105,582 120.683,583 1.567,584 3.667,585 4.544,586 5.195,587 5.422,588 5.526,589 2.698,590 5.35,591 5.49,592 3.469,593 3590.92,594 9.843,595 61027.6,600 482.543,601 1.688,602 5.43,603 0.202,604 0.009,605 0.1,606 0.06,607 0.046,608 0.032,609 0.019,610 0.015,611 0.013,612 0.008,613 0.505,614 0.33,615 0.63,616 0.907,617 256.349,618 0.045,619 0.024,620 0.06,621 0.01,622 -0.018,623 0.031,624 -0.054,625 0.143,626 0.089,627 0.223,628 0.067,629 0.195,630 0.048,631 -0.076,632 -0.005,633 -0.068,634 0.018,635 -0.055,636 -0.104,637 -0.108,638 -0.097,639 -0.101,640 -0.095,641 -0.097,642 -0.065,643 0.083,644 -0.038,645 0.077,646 -0.035,647 0.035,648 0.074,649 -0.041,650 0.044,651 -0.049,652 0.04,653 -0.02,654 0.014,655 0.002,656 0.052,657 0.003,658 0.009,659 0.03,660 0.059,661 -0.069,662 -0.007,663 -0.062,664 0.064,665 -0.054,666 2.955,667 8.356,668 0.717,669 48.962,670 1.017,671 1.117,672 2.645,673 6.998,674 0.679,675 3.97,676 4.394,677 4.836,678 5.252,679 5.635,680 5.953,681 6.277,682 6.562,683 6.784,684 6.952,685 6.617,686 0.664,687 621.69,688 3.97,689 5.58,690 6.515,691 7.478,692 8.45,693 9.435,694 10.425,695 11.424,696 12.427,697 13.434,698 3.9,700 1,705 1,709 1,715 13,720 11,722 24,727 1,735 1,739 4,741 77,743 28,744 4,745 52,747 83,748 35,749 24,750 11,751 13,752 1,756 7,757 9,764 1,766 1,767 2,768 2,770 2,772 26,773 9,774 2,777 4,779 1,782 4,786 2,793 31,794 10,795 2,796 11,802 3,808 0.429,809 8,825 1,828 3,829 4,832 2,843 1,853 1,859 3,864 4,868 46,876 1,877 2,878 4,880 2,882 2,893 10.4,896 2,898 4,899 2,901 23.833,902 15.283,903 10.146,904 4.311,907 2.636,908 1.282,909 0.976,910 7.312,911 11.992,912 4.234,913 4.875,914 5.503,915 6.102,916 6.695,917 7.081,918 7.559,919 8.007,920 8.432,921 8.841,922 0.857,923 98,924 17.316,926 8.069,927 0.026,929 7.92,931 32.05,933 27.705,936 2.42,937 111.333,941 341.362,942 221.511,943 41.692,945 145.036,948 221.511,949 486.398,950 41.692,951 49.202,952 20.545,953 141.202,954 60.128,955 86.415,957 341.362,958 50.747,959 341.362,960 263.203,961 145.036,964 329.591,965 106.061,966 50.747,968 38.556,969 218.977,970 5.67,972 341.362,973 186.728,974 221.511,977 341.362,978 54.788,979 172.393,980 36.022,981 145.036,982 341.362,983 186.728,984 221.511,986 0.592,987 0.382,988 0.222,989 0.13,990 43,991 20,992 0.084,993 7,994 2,995 1.182,996 4.68,997 595.969,998 0.121,999 35,1000 248.084,1005 30.237,1006 11.124,1007 4.155,1009 181.058,1010 22.767,1015 4.973,1017 36.022,1018 749.601,1019 68,1021 -0.5,1024 54.072,1028 -0.754,1031 78.294,1032 85.983,1034 0.25,1035 0.585,1036 0.725,1037 0.829,1038 0.865,1039 0.882,1040 5.541,1041 2.267,1042 6.572,1043 8.089,1044 5.081,1045 5.565,1046 3.411,1047 7.597,1048 5.031,1049 6.792,1050 1.978,1051 8.27,1052 7.51,1053 4.977,1054 5.551,1055 2.749,1056 9.186,1057 4.925,1058 8.163,1059 1.854,1060 10.095,1061 6.678,1062 6.905,1063 7.798,1064 4.595,1065 12.471,1066 6.829,1067 9.576,1068 1.76,1069 12.007,1070 5.69,1071 7.683,1072 8.569,1073 4.794,1074 15.035,1075 7.609,1076 11.028,1077 1.68,1078 13.986,1079 5.212,1080 9.166,1081 10.334,1082 6.194,1083 18.044,1084 9.083,1085 12.511,1086 1.607,1087 16.015,1088 4.624,1089 10.319,1090 11.448,1091 6.748,1092 20.912,1093 10.238,1094 14.018,1095 1.376,1096 18.085,1097 4.105,1098 11.701,1099 13.032,1100 7.947,1101 23.886,1102 11.616,1103 4.136,1104 1.218,1105 20.187,1106 3.699,1107 13.006,1108 14.31,1109 8.673,1110 26.835,1111 12.92,1112 3.237,1113 19.667,1114 22.313,1115 2.893,1116 14.383,1117 15.818,1118 9.767,1119 29.809,1120 14.294,1121 3.043,1122 12.838,1123 24.459,1124 4.467,1125 15.749,1126 17.18,1127 10.589,1128 32.778,1129 15.657,1130 2.854,1131 10.63,1132 26.619,1133 4.159,1134 17.139,1135 18.657,1136 11.626,1137 35.754,1138 17.043,1139 2.761,1140 9.415,1141 28.79,1142 3.967,1143 18.531,1144 20.064,1145 12.503,1146 38.73,1147 18.431,1148 2.688,1149 9.076,1150 30.97,1151 3.844,1152 19.934,1153 21.53,1154 13.508,1155 41.708,1156 19.828,1157 2.408,1158 8.539,1159 33.155,1160 3.571,1161 21.339,1162 22.963,1163 14.419,1164 44.686,1165 21.227,1166 26962,1167 46903,1168 34.213,1169 52.313,1170 80.823,1171 84.573,1172 87.982,1173 80.144,1174 80.414,1175 102.871,1176 21.543,1177 261.06,1178 78.072,1179 6.183,1180 6.566,1181 8.877,1182 6.185,1183 6.136,1184 7.467,1185 4.612,1186 29.783,1187 6.107,1188 26.161,1189 1.554,1190 1.626,1191 1.692,1192 1.541,1193 1.546,1194 1.978,1195 0.414,1196 5.02,1197 1.501,1198 4.189,1199 4.209,1200 4.154,1201 4.11,1202 7.815,1203 4.117,1204 3.977,1205 3.996,1206 3.945,1207 3.874,1208 7.432,1209 3.884,1210 3.928,1211 3.945,1212 3.882,1213 3.861,1214 7.423,1215 3.862,1216 3.864,1217 3.885,1218 3.804,1219 3.795,1220 6.999,1221 3.794,1222 3.715,1223 3.737,1224 3.686,1225 3.533,1226 4.951,1227 3.554,1228 3.517,1229 3.542,1230 3.472,1231 3.206,1232 4.901,1233 3.268,1234 3.338,1235 3.38,1236 3.243,1237 3.129,1238 4.768,1239 3.147,1240 3.25,1241 3.315,1242 3.146,1243 2.963,1244 4.694,1245 2.987,1246 0.1,1247 0.088,1248 0.175,1249 0.099,1250 0.08,1251 5.205,1252 0.086,1253 4.566,1254 0.05,1255 9.075,1256 0.378,1257 5.129,1258 0.079,1259 4.136,1260 4.467,1261 2.612,1262 19.667,1263 4.107,1264 1.965,1265 1.946,1266 2.066,1267 2.077,1268 1.396,1269 2.051,1270 1.923,1271 1.9,1272 2.003,1273 2.043,1274 1.205,1275 2.036,1276 1.88,1277 1.872,1278 1.963,1279 1.978,1280 1.131,1281 1.969,1282 1.859,1283 1.837,1284 1.954,1285 1.959,1286 1.064,1287 1.962,1288 1.635,1289 1.618,1290 1.735,1291 1.798,1292 0.965,1293 1.77,1294 1.401,1295 1.358,1296 1.59,1297 1.662,1298 0.757,1299 1.613,1300 1.235,1301 1.195,1302 1.576,1303 1.622,1304 0.595,1305 1.558,1306 1.227,1307 1.185,1308 1.574,1309 1.525,1310 0.576,1311 1.54,1312 4.654,1314 6.052,1315 3.434,1316 7.674,1317 6.075,1318 9.404,1319 8.424,1320 11.201,1322 6.098,1328 0.131,1329 6.589,1330 22.414,1332 -1.25,1334 -3.208,1340 51.158,1341 120.683,1342 282.331,1343 349.908,1344 400.013,1345 417.523,1346 425.523,1347 123.255,1348 9.356,1349 140.94,1350 140.94,1351 39,1352 13.89,1353 4.858,1354 4.087,1355 63.216,1356 168,1357 221,1358 0.175,1359 303.191,1360 547.66,1361 731.545,1362 132605,1364 32.38,1365 0.704,1366 0.556,1367 32.38,1368 25.581,1369 22.231,1370 0.428,1371 0.282,1372 14.41,1373 21.132,1374 14.006,1375 11.547,1376 22.231,1377 14.683,1378 20.328,1379 0.254,1380 0.146,1381 20.328,1382 11.657,1383 19.219,1384 0.154,1385 0.078,1386 19.219,1387 9.766,1388 17.282,1389 0.091,1390 0.041,1391 17.282,1392 7.866,1393 15.24,1394 0.055,1395 0.022,1396 15.24,1397 6.143,1398 0.258,1399 141.691,1400 0.171,1401 37.918,1402 0.547,1403 264,1404 830.195,1405 290.449,1406 779.875,1407 1060.79,1408 728,1409 337,1410 780.045,1411 365.728,1412 787.249,1413 1170.55,1414 735,1415 4.813}
{0 CHEMBL1288828,1 1.542,2 9.429,3 4.728,4 22.355,5 155.222,6 8.14,7 0.5,8 4.364,9 4.456,10 4.012,11 3.959,12 5.545,13 3.954,14 4.914,15 5.032,16 4.448,17 4.425,18 6.097,19 4.409,20 5.218,21 5.357,22 4.662,23 4.655,24 6.355,25 4.627,26 5.446,27 5.604,28 4.786,29 4.796,30 6.601,31 4.766,32 5.58,33 5.749,34 4.89,35 4.904,36 6.791,37 4.87,38 5.631,39 5.8,40 4.954,41 4.989,42 6.844,43 4.943,44 5.715,45 5.897,46 4.913,47 4.957,48 6.986,49 4.908,50 5.598,51 5.787,52 4.728,53 4.783,54 6.887,55 4.724,56 0.175,57 0.942,58 11.691,59 6.297,60 13.161,61 7.285,62 0.426,63 1.588,64 23.04,65 11.19,66 68.23,67 12.998,68 0.491,69 2.169,70 32.252,71 15.231,72 62.606,73 18.28,74 0.693,75 2.68,76 43.79,77 18.714,78 111.053,79 22.17,80 1.157,81 3.018,82 53.067,83 21.702,84 173.865,85 25.783,86 0.945,87 3.215,88 53.511,89 23.451,90 121.168,91 29.052,92 1.342,93 3.363,94 63.16,95 25.226,96 224.429,97 30.438,98 1.454,99 2.921,100 58.374,101 22.692,102 226.719,103 27.431,104 46,105 74,106 0.237,107 0.555,108 0.695,109 0.798,110 0.837,111 0.855,112 3.767,113 0.852,114 -4.97,115 -4.87,116 -4.57,121 47.8,123 1,124 1,125 1,126 2,129 1,132 1,144 15,145 5,146 4,159 1,160 1,168 2,176 21,179 1,180 6,183 1,185 6,187 26,191 1,192 16,195 1,196 1,197 8,200 26,206 14,209 1,211 9,214 25,218 2,219 13,222 3,224 10,227 37,231 2,232 17,235 4,237 7,239 44,243 3,244 20,247 2,249 4,251 39,255 4,256 25,259 2,261 2,264 24,269 26,277 9,281 3596,282 28.782,283 28.782,284 28.782,285 28.782,286 28.782,287 25.445,288 36.601,289 16.354,290 29.234,291 23.528,292 23.528,293 23.528,294 23.528,295 23.528,296 18.356,297 49.198,298 7.513,299 24.041,300 4.567,301 2.499,302 1.589,303 0.913,304 0.66,305 0.544,306 4.485,312 1,313 874,314 4.183,317 249.806,318 448.661,321 300.467,325 1.354,326 62.385,329 0.75,330 0.5,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.73,337 91.5,338 396,339 5.205,340 4.566,341 9.075,342 5.129,343 4.136,344 4.466,345 2.612,346 19.666,347 4.106,348 4.521,349 3.849,350 7.441,351 4.23,352 3.235,353 4.158,354 2.081,355 12.835,356 3.216,357 4.322,358 3.772,359 6.675,360 4.006,361 3.021,362 3.899,363 1.277,364 10.606,365 2.98,366 4.153,367 3.353,368 6.328,369 3.75,370 2.778,371 3.639,372 0.86,373 9.397,374 2.699,375 4.033,376 3.179,377 6.084,378 3.66,379 2.692,380 3.489,381 0.86,382 8.552,383 2.602,384 3.877,385 2.925,386 5.95,387 3.487,388 2.496,389 3.397,390 0.818,391 8.137,392 2.465,393 3.695,394 2.767,395 5.787,396 3.294,397 2.323,398 3.071,399 0.467,400 7.593,401 2.249,402 3.421,403 2.602,404 5.618,405 3.029,406 2.032,407 2.66,408 0.076,409 6.785,410 2.018,411 3.237,412 2.543,413 5.207,414 2.869,415 1.874,416 2.444,418 5.698,419 1.864,420 3.124,421 2.198,422 5.092,423 2.776,424 1.793,425 2.297,427 5.212,428 1.763,429 3.048,430 2.077,431 4.741,432 2.709,433 1.717,434 2.175,436 4.723,437 1.69,438 2.895,439 1.909,440 4.457,441 2.452,442 1.46,443 2.027,445 3.706,446 1.446,447 2.881,448 1.869,449 4.313,450 2.3,451 1.351,452 1.978,454 3.222,455 1.264,456 2.67,457 1.534,458 3.996,459 2.216,460 1.218,461 1.659,463 2.893,464 1.215,465 2.5,466 1.319,467 3.804,468 2.091,469 1.109,470 1.5,472 2.791,473 1.085,474 19.7,475 0.469,476 1.165,477 0.028,478 58.75,479 1.399,480 31.5,481 0.75,482 27.25,483 0.649,484 41.47,485 0.987,486 43.3,487 0.628,488 59.106,489 1.407,490 11.61,491 0.276,492 8.741,493 0.208,494 0.118,495 0.051,496 0.35,501 0.57,502 0.998,503 0.675,504 0.911,505 0.51,506 0.832,507 0.757,508 0.991,509 0.766,510 0.881,511 0.509,512 0.838,513 0.696,514 1.133,515 0.841,516 1.07,517 0.682,518 1.002,519 0.98,520 1.114,521 0.964,522 1.044,523 1.043,524 1.003,525 1,526 0.925,527 0.94,528 0.899,529 1.021,530 0.904,531 0.703,532 1.049,533 0.885,534 1.04,535 0.812,536 1.009,537 1.028,538 1.001,539 1.019,540 1.024,541 1.164,542 1.021,543 1.063,544 1.021,545 1.06,546 1.041,547 1.122,548 1.054,549 9,550 0.308,551 7.111,552 5.535,553 4.548,554 3.52,555 2.043,556 1.358,557 1.033,558 0.484,559 22759,560 65971,561 2.143,562 39.1,563 2,564 22,567 2,569 1,572 1.828,573 1.984,574 3.163,575 0.102,582 106.377,583 1.542,584 3.61,585 4.52,586 5.195,587 5.449,588 5.565,589 2.635,590 5.041,591 5.359,592 3.372,593 2903.17,594 9.579,595 46188.6,600 421.488,601 1.648,602 5.308,603 0.188,604 0.008,605 0.096,606 0.062,607 0.046,608 0.032,609 0.017,610 0.013,611 0.012,612 0.008,613 0.481,614 0.17,615 0.75,616 0.801,617 227.343,618 0.077,619 0.085,620 0.055,621 0.062,622 -0.014,623 0.053,624 0.019,625 0.046,626 0.044,627 0.104,628 0.084,629 0.081,630 0.049,631 -0.096,632 0.001,633 -0.09,634 0.017,635 -0.063,636 -0.091,637 -0.083,638 -0.059,639 -0.073,640 -0.084,641 -0.06,642 -0.028,643 0.086,644 0.003,645 0.078,646 -0.012,647 0.053,648 0.079,649 -0.037,650 0.021,651 -0.052,652 0.047,653 -0.035,654 -0.009,655 -0.019,656 -0.034,657 -0.039,658 -0.015,659 -0.041,660 0.047,661 -0.067,662 -0.039,663 -0.049,664 0.019,665 -0.062,666 2.869,667 8.134,668 0.786,669 41.41,670 1.013,671 1.112,672 3.735,673 13.954,674 0.694,675 3.892,676 4.317,677 4.762,678 5.193,679 5.583,680 5.894,681 6.207,682 6.474,683 6.672,684 6.817,685 6.185,686 0.676,687 561.63,688 3.892,689 5.501,690 6.438,691 7.404,692 8.38,693 9.369,694 10.364,695 11.367,696 12.372,697 13.383,698 4.3,700 1,705 1,709 1,715 15,720 9,722 24,727 1,735 1,739 2,741 69,743 28,744 4,745 48,747 75,748 33,749 24,750 9,751 15,752 1,756 7,757 9,764 1,766 1,767 2,768 2,770 2,772 26,773 7,774 2,777 4,779 1,782 4,786 2,793 27,794 8,795 2,796 9,802 3,808 0.429,809 6,825 1,828 3,829 4,832 2,843 1,853 1,859 3,864 2,868 42,876 1,877 2,878 2,880 2,882 2,893 8.7,896 2,898 2,899 2,901 21.167,902 13.117,903 9.118,904 3.999,907 2.642,908 1.287,909 0.997,910 6.068,911 11.835,912 4.174,913 4.812,914 5.434,915 6.038,916 6.633,917 7,918 7.485,919 7.927,920 8.335,921 8.727,922 1,923 89,924 15.819,926 7.461,927 0.026,929 7.905,931 29.432,933 25.925,936 2.405,937 101,941 294.278,942 208.211,943 41.692,945 123.037,948 208.211,949 417.314,950 41.692,951 27.436,952 20.545,953 160.154,954 60.128,955 53.928,957 294.278,958 50.747,959 294.278,960 249.902,961 123.037,964 282.506,965 84.061,966 50.747,968 38.556,969 205.676,970 5.67,972 294.278,973 164.728,974 208.211,977 294.278,978 44.301,979 169.58,980 36.022,981 123.037,982 294.278,983 164.728,984 208.211,986 0.593,987 0.377,988 0.223,989 0.136,990 41,991 18,992 0.067,993 5,994 2,995 1.182,996 4.487,997 529.404,998 0.121,999 35,1000 216.477,1005 26.542,1006 9.601,1007 3.533,1009 159.058,1010 27.21,1015 4.49,1017 36.022,1018 667.216,1019 64,1021 -0.483,1024 53.462,1028 -0.648,1031 69.872,1032 76.734,1034 0.252,1035 0.591,1036 0.74,1037 0.85,1038 0.892,1039 0.911,1040 5.476,1041 2.032,1042 6.494,1043 7.593,1044 5.004,1045 5.501,1046 3.309,1047 7.526,1048 4.971,1049 6.725,1050 1.874,1051 8.193,1052 6.785,1053 4.89,1054 5.44,1055 2.749,1056 9.14,1057 4.853,1058 8.092,1059 1.793,1060 10.025,1061 5.698,1062 6.83,1063 7.721,1064 4.573,1065 12.438,1066 6.776,1067 9.503,1068 1.717,1069 11.947,1070 5.212,1071 7.616,1072 8.458,1073 4.794,1074 15.021,1075 7.56,1076 10.955,1077 1.46,1078 13.936,1079 4.723,1080 9.11,1081 10.248,1082 6.191,1083 18.034,1084 9.046,1085 12.439,1086 1.351,1087 15.976,1088 3.706,1089 10.275,1090 11.342,1091 6.748,1092 20.909,1093 10.209,1094 13.95,1095 1.218,1096 18.055,1097 3.222,1098 11.666,1099 12.94,1100 7.946,1101 23.884,1102 11.594,1103 4.136,1104 1.109,1105 20.165,1106 2.893,1107 12.979,1108 14.209,1109 8.673,1110 26.834,1111 12.904,1112 3.235,1113 19.666,1114 22.297,1115 2.791,1116 14.362,1117 15.727,1118 9.767,1119 29.808,1120 14.282,1121 3.021,1122 12.835,1123 24.448,1124 4.466,1125 15.733,1126 17.086,1127 10.589,1128 32.778,1129 15.648,1130 2.778,1131 10.606,1132 26.611,1133 4.158,1134 17.127,1135 18.57,1136 11.626,1137 35.754,1138 17.037,1139 2.692,1140 9.397,1141 28.785,1142 3.899,1143 18.523,1144 19.979,1145 12.503,1146 38.73,1147 18.426,1148 2.496,1149 8.552,1150 30.966,1151 3.639,1152 19.927,1153 21.451,1154 13.508,1155 41.708,1156 19.824,1157 2.323,1158 8.137,1159 33.152,1160 3.489,1161 21.334,1162 22.888,1163 14.419,1164 44.685,1165 21.225,1166 21309,1167 36418,1168 32.016,1169 47.881,1170 75.342,1171 78.388,1172 80.431,1173 74.57,1174 74.706,1175 96.799,1176 18.103,1177 242.008,1178 73.348,1179 6.183,1180 6.566,1181 8.877,1182 6.185,1183 6.136,1184 7.466,1185 4.612,1186 29.782,1187 6.106,1188 21.14,1189 1.57,1190 1.633,1191 1.676,1192 1.554,1193 1.556,1194 2.017,1195 0.377,1196 5.042,1197 1.528,1198 4.187,1199 4.208,1200 4.151,1201 4.109,1202 7.815,1203 4.115,1204 3.976,1205 3.996,1206 3.944,1207 3.874,1208 7.432,1209 3.884,1210 3.922,1211 3.943,1212 3.866,1213 3.861,1214 7.423,1215 3.858,1216 3.847,1217 3.878,1218 3.774,1219 3.794,1220 6.999,1221 3.785,1222 3.708,1223 3.733,1224 3.678,1225 3.529,1226 4.923,1227 3.547,1228 3.508,1229 3.534,1230 3.46,1231 3.203,1232 4.801,1233 3.265,1234 3.322,1235 3.369,1236 3.229,1237 3.118,1238 4.716,1239 3.133,1240 3.25,1241 3.315,1242 3.111,1243 2.963,1244 4.692,1245 2.973,1246 0.108,1247 0.095,1248 0.189,1249 0.107,1250 0.086,1251 5.205,1252 0.093,1253 4.566,1254 0.054,1255 9.075,1256 0.41,1257 5.129,1258 0.086,1259 4.136,1260 4.466,1261 2.612,1262 19.666,1263 4.106,1264 1.969,1265 1.946,1266 2.08,1267 2.077,1268 1.395,1269 2.055,1270 1.923,1271 1.9,1272 2.009,1273 2.039,1274 1.205,1275 2.036,1276 1.88,1277 1.872,1278 1.979,1279 1.978,1280 1.131,1281 1.969,1282 1.864,1283 1.836,1284 1.955,1285 1.951,1286 1.063,1287 1.964,1288 1.635,1289 1.614,1290 1.74,1291 1.79,1292 0.965,1293 1.766,1294 1.394,1295 1.347,1296 1.575,1297 1.662,1298 0.757,1299 1.591,1300 1.234,1301 1.193,1302 1.566,1303 1.591,1304 0.594,1305 1.556,1306 1.226,1307 1.185,1308 1.556,1309 1.522,1310 0.575,1311 1.538,1312 4.575,1314 5.974,1315 3.434,1316 7.597,1317 6.075,1318 9.331,1319 8.424,1320 11.133,1322 3.045,1328 0.201,1329 6.599,1330 11.132,1332 -0.999,1334 -3.009,1340 46.675,1341 106.377,1342 249.062,1343 311.865,1344 358.469,1345 375.978,1346 383.978,1347 105.666,1348 9.193,1349 122.48,1350 122.48,1351 39,1352 13.837,1353 4.858,1354 4.087,1355 55.237,1356 144,1357 179,1358 0.18,1359 276.013,1360 495.48,1361 665.233,1362 110629,1364 29.225,1365 0.696,1366 0.546,1367 29.225,1368 22.919,1369 20.351,1370 0.424,1371 0.284,1372 13.441,1373 19.558,1374 13.127,1375 10.785,1376 20.351,1377 13.631,1378 18.816,1379 0.254,1380 0.148,1381 18.816,1382 10.954,1383 17.639,1384 0.152,1385 0.079,1386 17.639,1387 9.158,1388 16.049,1389 0.09,1390 0.042,1391 16.049,1392 7.48,1393 14.373,1394 0.054,1395 0.022,1396 14.373,1397 5.895,1398 0.264,1399 128.177,1400 0.177,1401 35.215,1402 0.567,1403 244,1404 718.724,1405 264.692,1406 687.288,1407 939.43,1408 640,1409 312,1410 697.954,1411 334.638,1412 705.061,1413 1051.39,1414 662,1415 5.432}
{0 CHEMBL1288829,1 1.631,2 9.442,3 5.393,4 29.079,5 160.027,6 8.639,7 0.49,8 4.368,9 4.455,10 4.062,11 3.975,12 5.559,13 3.97,14 4.918,15 5.031,16 4.513,17 4.445,18 6.117,19 4.429,20 5.224,21 5.356,22 4.742,23 4.682,24 6.384,25 4.654,26 5.454,27 5.603,28 4.861,29 4.825,30 6.628,31 4.792,32 5.589,33 5.747,34 4.999,35 4.938,36 6.82,37 4.903,38 5.643,39 5.798,40 5.097,41 5.032,42 6.902,43 4.986,44 5.726,45 5.895,46 5.081,47 5.003,48 7.046,49 4.956,50 5.611,51 5.784,52 4.858,53 4.834,54 6.929,55 4.771,56 0.201,57 0.93,58 10.44,59 6.126,60 13.457,61 6.922,62 0.483,63 1.569,64 21.638,65 11.053,66 70.954,67 12.48,68 0.586,69 2.139,70 31.619,71 15.215,72 67.836,73 17.672,74 0.851,75 2.642,76 45.082,77 18.96,78 121.911,79 21.487,80 1.336,81 2.971,82 54.861,83 22.029,84 186.811,85 25.123,86 1.167,87 3.152,88 56.89,89 23.879,90 135.902,91 28.349,92 1.607,93 3.302,94 66.867,95 25.864,96 241.815,97 29.841,98 1.673,99 2.861,100 64.721,101 23.582,102 240.965,103 26.977,104 59,105 76,106 0.251,107 0.578,108 0.722,109 0.83,110 0.867,111 0.877,112 3.789,113 0.864,114 -5.15,115 -5.04,116 -4.72,121 47.8,123 1,124 1,125 1,126 2,129 1,132 1,144 14,145 5,146 5,159 1,160 1,168 2,176 19,179 1,180 6,183 1,185 6,187 25,191 1,192 16,195 1,196 1,197 8,200 27,206 14,209 1,211 8,214 25,218 2,219 12,222 3,224 11,227 34,231 2,232 17,235 4,237 6,239 44,243 3,244 21,247 2,249 5,251 42,255 4,256 22,259 2,261 2,264 25,269 27,277 10,281 3810,282 29.282,283 29.282,284 29.282,285 29.282,286 29.282,287 25.892,288 36.857,289 16.515,290 29.844,291 23.995,292 23.995,293 23.995,294 23.995,295 23.995,296 18.744,297 49.073,298 7.565,299 24.741,300 4.477,301 2.345,302 1.408,303 0.705,304 0.468,305 0.399,306 4.505,308 1,312 1,313 893,314 4.243,317 255.535,318 460.101,321 307.644,325 1.336,326 68.21,329 0.75,330 0.5,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.73,337 93.833,338 406,339 5.206,340 4.567,341 9.075,342 5.13,343 4.137,344 4.469,345 2.612,346 19.671,347 4.107,348 4.523,349 3.851,350 7.45,351 4.235,352 3.241,353 4.159,354 2.081,355 12.89,356 3.218,357 4.356,358 3.772,359 6.729,360 4.033,361 3.053,362 3.941,363 1.277,364 10.767,365 2.992,366 4.199,367 3.418,368 6.342,369 3.762,370 2.798,371 3.774,372 0.86,373 9.433,374 2.701,375 4.041,376 3.188,377 6.102,378 3.671,379 2.704,380 3.531,381 0.86,382 8.695,383 2.61,384 4.006,385 3.052,386 6.032,387 3.601,388 2.64,389 3.472,390 0.818,391 8.439,392 2.515,393 3.709,394 2.912,395 5.908,396 3.318,397 2.351,398 3.08,399 0.467,400 7.894,401 2.259,402 3.451,403 2.676,404 5.722,405 3.066,406 2.084,407 2.683,408 0.076,409 7.106,410 2.036,411 3.245,412 2.546,413 5.228,414 2.883,415 1.89,416 2.451,418 5.743,419 1.871,420 3.132,421 2.329,422 5.176,423 2.79,424 1.809,425 2.299,427 5.241,428 1.771,429 3.051,430 2.195,431 4.983,432 2.714,433 1.724,434 2.175,436 5.17,437 1.692,438 2.895,439 1.941,440 4.457,441 2.454,442 1.469,443 2.047,445 3.787,446 1.447,447 2.885,448 1.909,449 4.383,450 2.348,451 1.414,452 1.978,454 3.632,455 1.271,456 2.844,457 1.74,458 4.128,459 2.293,460 1.348,461 1.97,463 3.005,464 1.23,465 2.665,466 1.511,467 3.895,468 2.216,469 1.218,470 1.655,472 2.893,473 1.214,474 20.414,475 0.475,476 1.255,477 0.029,478 59.5,479 1.384,480 31.5,481 0.733,482 28,483 0.651,484 44.83,485 1.043,486 44.386,487 0.643,488 60.519,489 1.407,490 11.698,491 0.272,492 9.063,493 0.211,494 0.149,495 0.049,496 0.362,501 0.568,502 0.996,503 0.588,504 0.86,505 0.511,506 0.802,507 0.747,508 0.988,509 0.668,510 0.828,511 0.509,512 0.805,513 0.717,514 1.13,515 0.808,516 1.03,517 0.692,518 0.981,519 1.006,520 1.115,521 0.991,522 1.042,523 1.062,524 1.013,525 1.001,526 0.924,527 0.921,528 0.883,529 1.035,530 0.89,531 0.739,532 1.042,533 0.946,534 1.026,535 0.817,536 0.991,537 1.018,538 0.996,539 0.997,540 1.002,541 1.137,542 0.993,543 1.139,544 1.017,545 1.222,546 1.067,547 1.166,548 1.079,549 9.5,550 0.308,551 7.556,552 5.722,553 4.774,554 3.766,555 2.37,556 1.453,557 1.155,558 0.58,559 23820,560 73894,561 2.125,562 37.7,563 2,564 21,567 2,569 1,572 1.834,573 1.955,574 3.155,575 0.114,582 112.547,583 1.631,584 3.763,585 4.7,586 5.404,587 5.641,588 5.71,589 2.628,590 5.019,591 5.394,592 3.368,593 3041.62,594 9.65,595 49090.5,600 421.488,601 1.683,602 5.336,603 0.194,604 0.007,605 0.099,606 0.062,607 0.047,608 0.033,609 0.019,610 0.013,611 0.013,612 0.009,613 0.495,614 0.17,615 0.75,616 0.821,617 234.062,618 0.064,619 0.087,620 0.033,621 0.06,622 -0.015,623 0.051,624 0.01,625 0.05,626 0.045,627 0.117,628 0.085,629 0.093,630 0.029,631 -0.094,632 -0.008,633 -0.078,634 0.013,635 -0.06,636 -0.118,637 -0.085,638 -0.102,639 -0.085,640 -0.105,641 -0.08,642 -0.035,643 0.087,644 0.008,645 0.087,646 -0.029,647 0.061,648 0.076,649 -0.034,650 0.025,651 -0.042,652 0.054,653 -0.026,654 0.01,655 -0.016,656 0.025,657 -0.012,658 0.009,659 -0.013,660 -0.01,661 -0.068,662 -0.107,663 -0.059,664 -0.02,665 -0.084,666 2.935,667 8.202,668 0.767,669 42.293,670 1.017,671 1.111,672 3.919,673 15.356,674 0.706,675 3.912,676 4.344,677 4.787,678 5.215,679 5.609,680 5.924,681 6.236,682 6.506,683 6.708,684 6.86,685 6.211,686 0.688,687 596.07,688 3.912,689 5.525,690 6.463,691 7.431,692 8.407,693 9.396,694 10.392,695 11.395,696 12.401,697 13.412,698 4.3,700 1,705 1,709 1,715 14,720 10,722 24,727 1,735 1,739 2,740 1,741 69,743 28,744 4,745 49,747 75,748 33,749 24,750 10,751 14,752 1,756 7,757 9,758 1,764 1,766 1,767 2,768 2,770 2,772 26,773 7,774 2,777 4,779 1,782 4,786 2,793 26,794 8,795 2,796 10,797 1,802 3,808 0.429,809 6,825 1,828 3,829 4,832 2,843 1,853 1,859 3,864 2,865 1,868 43,876 1,877 2,878 2,880 2,882 2,892 1,893 8.7,896 2,898 2,899 2,901 22,902 13.176,903 9.313,904 3.986,907 2.652,908 1.287,909 0.996,910 6.454,911 11.888,912 4.19,913 4.836,914 5.46,915 6.061,916 6.656,917 7.029,918 7.506,919 7.951,920 8.365,921 8.765,922 1,923 92,924 16.208,926 7.682,927 0.026,929 7.937,931 29.992,933 26.407,936 2.437,937 104.778,941 282.506,942 202.235,943 41.692,944 39.149,945 123.037,948 202.235,949 444.692,950 41.692,951 27.436,952 20.545,953 150.678,954 60.128,955 57.429,957 282.506,958 89.896,959 282.506,960 243.927,961 123.037,962 39.149,964 270.735,965 84.061,966 50.747,968 38.556,969 199.701,970 44.819,972 282.506,973 164.728,974 241.384,977 282.506,978 47.801,979 160.104,980 36.022,981 162.185,982 282.506,983 164.728,984 241.384,986 0.596,987 0.38,988 0.223,989 0.135,990 42,991 19,992 0.067,993 5,994 2,995 1.182,996 4.505,997 549.157,998 0.121,999 35,1000 227.329,1005 27.749,1006 10.001,1007 3.708,1009 159.058,1010 24.574,1015 4.467,1017 36.022,1018 688.618,1019 65,1021 -0.5,1024 53.636,1028 -0.743,1031 70.196,1032 76.678,1034 0.267,1035 0.616,1036 0.769,1037 0.885,1038 0.923,1039 0.935,1040 5.497,1041 2.084,1042 6.524,1043 7.894,1044 5.03,1045 5.525,1046 3.309,1047 7.556,1048 4.982,1049 6.751,1050 1.89,1051 8.226,1052 7.106,1053 4.934,1054 5.497,1055 2.749,1056 9.163,1057 4.871,1058 8.122,1059 1.809,1060 10.057,1061 5.743,1062 6.86,1063 7.756,1064 4.573,1065 12.458,1066 6.786,1067 9.535,1068 1.724,1069 11.977,1070 5.241,1071 7.65,1072 8.517,1073 4.794,1074 15.032,1075 7.572,1076 10.989,1077 1.469,1078 13.962,1079 5.17,1080 9.137,1081 10.293,1082 6.191,1083 18.043,1084 9.054,1085 12.474,1086 1.414,1087 15.998,1088 3.787,1089 10.3,1090 11.403,1091 6.748,1092 20.914,1093 10.217,1094 13.985,1095 1.348,1096 18.074,1097 3.632,1098 11.686,1099 12.993,1100 7.946,1101 23.889,1102 11.6,1103 4.137,1104 1.218,1105 20.18,1106 3.005,1107 12.996,1108 14.27,1109 8.673,1110 26.838,1111 12.909,1112 3.241,1113 19.671,1114 22.31,1115 2.893,1116 14.376,1117 15.783,1118 9.767,1119 29.812,1120 14.287,1121 3.053,1122 12.89,1123 24.457,1124 4.469,1125 15.745,1126 17.145,1127 10.589,1128 32.781,1129 15.652,1130 2.798,1131 10.767,1132 26.619,1133 4.159,1134 17.138,1135 18.625,1136 11.626,1137 35.758,1138 17.04,1139 2.704,1140 9.433,1141 28.791,1142 3.941,1143 18.532,1144 20.034,1145 12.503,1146 38.733,1147 18.429,1148 2.64,1149 8.695,1150 30.971,1151 3.774,1152 19.935,1153 21.502,1154 13.508,1155 41.711,1156 19.827,1157 2.351,1158 8.439,1159 33.156,1160 3.531,1161 21.342,1162 22.938,1163 14.419,1164 44.689,1165 21.227,1166 22384,1167 39541,1168 32.422,1169 48.739,1170 77.012,1171 80.49,1172 82.906,1173 76.386,1174 76.356,1175 98.636,1176 18.103,1177 248.802,1178 74.175,1179 6.185,1180 6.567,1181 8.877,1182 6.186,1183 6.137,1184 7.469,1185 4.612,1186 29.793,1187 6.107,1188 23.092,1189 1.572,1190 1.643,1191 1.692,1192 1.559,1193 1.558,1194 2.013,1195 0.369,1196 5.078,1197 1.514,1198 4.187,1199 4.208,1200 4.167,1201 4.111,1202 7.815,1203 4.116,1204 3.976,1205 3.996,1206 3.98,1207 3.875,1208 7.432,1209 3.885,1210 3.923,1211 3.943,1212 3.932,1213 3.866,1214 7.423,1215 3.862,1216 3.852,1217 3.877,1218 3.827,1219 3.803,1220 6.999,1221 3.793,1222 3.709,1223 3.733,1224 3.687,1225 3.531,1226 4.951,1227 3.548,1228 3.509,1229 3.534,1230 3.47,1231 3.203,1232 4.902,1233 3.265,1234 3.322,1235 3.369,1236 3.294,1237 3.118,1238 4.765,1239 3.133,1240 3.25,1241 3.315,1242 3.227,1243 2.963,1244 4.694,1245 2.973,1246 0.106,1247 0.093,1248 0.185,1249 0.105,1250 0.084,1251 5.206,1252 0.091,1253 4.567,1254 0.053,1255 9.075,1256 0.401,1257 5.13,1258 0.084,1259 4.137,1260 4.469,1261 2.612,1262 19.671,1263 4.107,1264 1.967,1265 1.947,1266 2.065,1267 2.077,1268 1.396,1269 2.048,1270 1.923,1271 1.9,1272 2.003,1273 2.032,1274 1.205,1275 2.036,1276 1.88,1277 1.872,1278 1.966,1279 1.978,1280 1.131,1281 1.969,1282 1.861,1283 1.836,1284 1.954,1285 1.944,1286 1.063,1287 1.957,1288 1.635,1289 1.615,1290 1.738,1291 1.788,1292 0.963,1293 1.764,1294 1.394,1295 1.347,1296 1.575,1297 1.662,1298 0.757,1299 1.591,1300 1.234,1301 1.193,1302 1.566,1303 1.591,1304 0.594,1305 1.556,1306 1.226,1307 1.185,1308 1.556,1309 1.522,1310 0.575,1311 1.538,1312 4.595,1314 5.999,1315 3.434,1316 7.625,1317 6.075,1318 9.36,1319 8.424,1320 11.163,1322 3.017,1323 6.903,1328 0.142,1329 6.549,1330 11.128,1332 -1.226,1334 -3.169,1340 47.502,1341 112.547,1342 259.663,1343 324.311,1344 372.859,1345 389.224,1346 393.978,1347 113.565,1348 9.236,1349 122.48,1350 122.48,1351 39,1352 13.866,1353 4.858,1354 4.087,1355 57.16,1356 148,1357 185,1358 0.181,1359 284.346,1360 510.69,1361 685.565,1362 115894,1363 1.4,1364 30.095,1365 0.7,1366 0.558,1367 30.595,1368 23.975,1369 20.761,1370 0.424,1371 0.288,1372 13.577,1373 19.676,1374 13.229,1375 10.842,1376 21.05,1377 14.115,1378 19.343,1379 0.255,1380 0.151,1381 19.714,1382 11.472,1383 18.121,1384 0.152,1385 0.081,1386 18.479,1387 9.584,1388 16.363,1389 0.089,1390 0.042,1391 16.652,1392 7.768,1393 14.671,1394 0.054,1395 0.023,1396 14.959,1397 6.162,1398 0.265,1399 133.816,1400 0.176,1401 35.816,1402 0.572,1403 250,1404 752.927,1405 286.212,1406 749.252,1407 1011.38,1408 696,1409 320,1410 725.817,1411 354.348,1412 742.451,1413 1108.02,1414 697,1415 5.377}
{0 CHEMBL128894,1 1.401,2 11.5,3 4.479,4 20.061,5 111.597,6 7.41,7 0.548,8 3.995,9 4.106,10 3.57,11 3.612,12 5.092,13 3.577,14 4.518,15 4.679,16 3.903,17 3.996,18 5.567,19 3.94,20 4.783,21 4.98,22 3.934,23 4.108,24 5.832,25 4.019,26 4.853,27 5.082,28 3.878,29 4.048,30 5.928,31 3.956,32 4.744,33 4.956,34 3.888,35 4.053,36 5.788,37 3.968,38 4.803,39 5.012,40 3.884,41 4.105,42 5.843,43 4.004,44 4.8,45 5.034,46 3.753,47 4.019,48 5.905,49 3.895,50 4.635,51 4.871,52 3.59,53 3.838,54 5.672,55 3.718,56 0.018,57 0.663,58 9.676,59 4.578,60 5.545,61 5.968,62 0.153,63 1.129,64 17.975,65 7.417,66 12.855,67 9.906,68 0.157,69 1.397,70 25.189,71 10.296,72 32.654,73 13.707,74 0.349,75 1.456,76 29.292,77 10.873,78 59.884,79 14.404,80 0.303,81 1.342,82 25.153,83 9.797,84 42.087,85 13.05,86 0.198,87 1.404,88 26.334,89 10.713,90 38.816,91 14.258,92 0.386,93 1.371,94 27.571,95 10.791,96 71.687,97 14.623,98 0.169,99 1.142,100 23.343,101 9.443,102 41.966,103 12.686,104 5,105 42,106 0.233,107 0.525,108 0.691,109 0.814,110 0.852,111 0.859,112 3.375,113 0.917,114 -4.32,115 -4.25,116 -4.01,121 48,123 1,127 3,137 1,138 1,144 12,145 2,153 1,154 1,158 1,160 1,176 14,179 1,180 10,187 14,192 9,200 9,205 1,206 9,214 6,218 2,219 7,227 13,232 3,239 15,243 2,244 6,251 11,256 8,264 7,269 8,277 7,281 1254,282 19.275,283 19.275,284 19.275,285 19.275,286 19.275,287 16.823,288 18.885,289 11.647,290 19.427,291 15.333,292 15.333,293 15.333,294 15.333,295 15.333,296 11.647,297 24.107,298 5.579,299 15.559,300 4.243,301 2.486,302 1.491,303 0.75,304 0.52,305 0.48,306 4.073,311 1,312 1,313 703,314 2.915,317 79.54,318 276.371,325 1.75,326 23.637,328 1,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 59,338 322,339 4.467,340 3.693,341 6.624,342 4.079,343 3.108,344 4.1,345 1.277,346 10.508,347 3.021,348 4.163,349 3.648,350 6.105,351 3.869,352 2.875,353 3.584,354 0.995,355 8.924,356 2.865,357 3.928,358 2.98,359 5.712,360 3.565,361 2.576,362 3.458,363 0.98,364 7.688,365 2.544,366 3.865,367 2.667,368 5.517,369 3.454,370 2.461,371 3.338,372 0.359,373 7.369,374 2.435,375 3.269,376 2.458,377 4.979,378 3.021,379 2.065,380 2.486,382 5.865,383 1.96,384 3.222,385 2.175,386 4.635,387 2.778,388 1.767,389 2.338,391 4.649,392 1.779,393 2.947,394 1.991,395 4.167,396 2.514,397 1.505,398 1.996,400 3.724,401 1.513,402 2.828,403 1.522,404 3.752,405 2.41,406 1.414,407 1.939,409 3.038,410 1.407,411 2.646,412 1.324,413 3.592,414 2.182,415 1.195,416 1.689,418 2.964,419 1.177,420 2.5,421 1.228,422 3.469,423 2.085,424 1.099,425 1.5,427 2.488,428 1.082,429 2.5,430 1.078,431 3.247,432 2,433 1,434 1.5,436 2.136,437 1,438 2.466,439 1.049,440 3.247,441 2,442 1,443 1.427,445 2.136,446 1,447 2.159,448 1,449 3.188,450 1.554,451 0.524,452 0.828,454 1.282,455 0.533,456 1.658,457 1,458 2.938,459 1.339,460 0.317,461 0.392,463 0.748,464 0.32,465 1.215,466 0.243,467 2.851,468 0.915,469 -0.062,470 -0.077,472 -0.17,473 -0.06,474 13.467,475 0.481,476 0.554,477 0.02,478 38,479 1.357,480 20.5,481 0.732,482 17.5,483 0.625,484 20.506,485 0.732,486 28.533,487 0.571,488 28.684,489 1.024,490 7.831,491 0.28,492 5.872,493 0.21,494 0.05,496 0.282,501 0.605,502 1.219,503 0.764,504 1.008,505 0.504,506 0.92,507 0.795,508 1.104,509 0.951,510 0.992,511 0.59,512 0.976,513 1.009,514 1.193,515 1.044,516 1.147,517 0.916,518 1.103,519 1.392,520 0.978,521 1.007,522 0.918,523 1.419,524 0.918,525 1.102,526 0.887,527 0.971,528 0.885,529 1.103,530 0.906,531 1.065,532 1.076,533 1.055,534 1.077,535 1.055,536 1.065,537 0.931,538 0.919,539 1.026,540 0.984,541 0.96,542 1.01,543 1.044,544 1.058,545 0.96,546 1.061,547 1.166,548 1.018,549 4.5,550 0.11,551 2.667,552 1.688,553 1.271,554 0.639,555 0.572,556 0.376,557 0.24,558 0.151,559 10288,560 25076,561 2.137,562 44,564 19,565 1,568 2,572 1.711,573 2.049,574 3.502,575 -0.848,577 1,582 70.046,583 1.401,584 3.157,585 4.153,586 4.894,587 5.124,588 5.164,589 2.924,590 4.379,591 4.779,592 3.635,593 1374.2,594 8.315,595 18251.7,597 1,599 1,600 282.193,601 1.198,602 4.76,603 0.145,604 0.005,605 0.063,606 0.041,607 0.033,608 0.016,609 0.015,610 0.011,611 0.009,612 0.006,613 0.345,614 0.33,615 1,616 0.444,617 140.981,618 0.011,619 -0.149,620 0.058,621 -0.037,622 -0.017,623 0.004,624 0.014,625 -0.009,626 -0.06,627 -0.049,628 -0.013,629 -0.058,630 -0.044,631 -0.185,632 -0.093,633 -0.18,634 0.002,635 -0.147,636 -0.053,637 0.011,638 0.023,639 0.044,640 -0.053,641 0.041,642 -0.002,643 0.13,644 0.011,645 0.078,646 -0.055,647 0.05,648 -0.077,649 -0.089,650 -0.09,651 -0.1,652 -0.064,653 -0.096,654 0.133,655 0.047,656 -0.023,657 -0.003,658 0.134,659 -0.024,660 0.001,661 -0.129,662 0.047,663 -0.065,664 -0.012,665 -0.016,666 1.762,667 5.795,668 0.821,669 26.27,670 0.994,671 1.111,672 3.086,673 9.526,674 0.691,675 3.466,676 3.761,677 4.025,678 4.263,679 4.443,680 4.443,681 4.564,682 4.663,683 4.727,684 4.787,685 6.697,686 0.655,687 370.48,688 3.466,689 4.99,690 5.832,691 6.693,692 7.55,693 8.417,694 9.281,695 10.151,696 11.018,697 11.891,698 4,701 1,706 1,715 13,720 3,721 1,722 17,741 50,743 20,744 2,745 31,747 53,748 24,749 16,750 2,751 10,752 4,756 4,757 4,767 1,770 1,772 20,773 4,777 3,782 2,784 1,786 3,790 1,793 22,794 3,796 4,802 2,808 1,809 2,824 1,828 1,829 3,841 1,849 1,850 1,855 1,859 4,868 28,876 4,881 1,893 4,896 2,901 13.667,902 8.9,903 6.194,904 2.994,907 3.556,908 1.474,909 1.009,910 5.43,911 11.065,912 3.773,913 4.321,914 4.874,915 5.38,916 5.79,917 5.923,918 6.262,919 6.551,920 6.834,921 7.151,922 0.875,923 41,924 10.398,926 4.443,927 0.026,929 7.714,931 19.983,933 16.511,936 2.214,937 62,939 1,940 1,941 258.964,942 163.242,943 5.023,945 50.29,948 163.242,949 309.254,950 5.023,952 8.852,953 132.239,954 60.128,955 14.58,956 14.528,957 247.193,959 258.964,960 168.265,961 50.29,964 258.964,965 50.29,968 13.875,969 144.914,970 9.476,972 258.964,973 55.313,974 163.242,977 258.964,978 31.003,979 137.262,981 50.29,982 258.964,983 55.313,984 163.242,986 0.573,987 0.336,988 0.182,989 0.097,990 20,991 8,992 0.075,993 4,995 1,996 4.058,997 240.765,999 23,1000 126.606,1005 18.305,1006 8.305,1007 4.278,1009 53.414,1010 24.904,1015 2.594,1016 1.603,1018 477.519,1019 42.5,1024 25.276,1026 1.861,1028 0.814,1031 49.694,1032 55.567,1034 0.248,1035 0.559,1036 0.736,1037 0.867,1038 0.908,1039 0.915,1040 4.985,1041 1.414,1042 5.79,1043 3.724,1044 4.443,1045 5.007,1046 2.108,1047 6.564,1048 4.415,1049 6.168,1050 1.195,1051 7.322,1052 3.038,1053 3.892,1054 4.575,1055 0.325,1056 7.376,1057 3.846,1058 7.451,1059 1.099,1060 8.957,1061 2.964,1062 5.994,1063 7.112,1064 2.264,1065 10.49,1066 5.929,1067 8.769,1068 1,1069 10.654,1070 2.488,1071 6.312,1072 7.552,1073 0.504,1074 12.162,1075 6.229,1076 10.121,1077 1,1078 12.393,1079 2.136,1080 7.832,1081 9.492,1082 2.539,1083 14.768,1084 7.73,1085 11.497,1086 0.524,1087 14.161,1088 2.136,1089 8.555,1090 10.355,1091 0.585,1092 16.797,1093 8.433,1094 12.892,1095 0.317,1096 15.949,1097 1.282,1098 9.833,1099 12.023,1100 2.889,1101 19.229,1102 9.69,1103 3.108,1104 -0.062,1105 17.752,1106 0.748,1107 10.753,1108 13.112,1109 0.622,1110 21.418,1111 10.588,1112 2.875,1113 10.508,1114 19.567,1115 -0.17,1116 11.926,1117 14.644,1118 3.289,1119 23.788,1120 11.74,1121 2.576,1122 8.924,1123 21.392,1124 4.1,1125 12.942,1126 15.86,1127 0.639,1128 26.054,1129 12.732,1130 2.461,1131 7.688,1132 23.224,1133 3.584,1134 14.073,1135 17.323,1136 3.722,1137 28.402,1138 13.84,1139 2.065,1140 7.369,1141 25.063,1142 3.458,1143 15.138,1144 18.613,1145 0.646,1146 30.707,1147 14.878,1148 1.767,1149 5.865,1150 26.908,1151 3.338,1152 16.254,1153 20.04,1154 4.176,1155 33.05,1156 15.969,1157 1.505,1158 4.649,1159 28.757,1160 2.486,1161 17.342,1162 21.375,1163 0.648,1164 35.374,1165 17.031,1166 9680,1167 15234,1168 21.266,1169 34.534,1170 46.852,1171 48.001,1172 46.752,1173 45.882,1174 45.813,1175 61.15,1176 7.222,1177 127.035,1178 45.278,1179 5.467,1180 5.693,1181 6.426,1182 5.116,1183 5.108,1184 7.1,1185 2.555,1186 17.687,1187 5.021,1188 9.383,1189 1.511,1190 1.548,1191 1.508,1192 1.48,1193 1.478,1194 1.973,1195 0.233,1196 4.098,1197 1.461,1198 4.058,1199 4.093,1200 4.012,1201 3.944,1202 7.43,1203 3.954,1204 3.928,1205 3.966,1206 3.857,1207 3.851,1208 7.425,1209 3.847,1210 3.851,1211 3.881,1212 3.782,1213 3.783,1214 4.798,1215 3.779,1216 3.752,1217 3.796,1218 3.672,1219 3.617,1220 4.746,1221 3.625,1222 3.263,1223 3.316,1224 3.163,1225 3.105,1226 4.697,1227 3.104,1228 3.182,1229 3.246,1230 3.09,1231 3.025,1232 4.278,1233 3.018,1234 3.132,1235 3.153,1236 2.991,1237 2.97,1238 3.875,1239 2.984,1240 2.854,1241 2.925,1242 2.708,1243 2.735,1244 3.674,1245 2.715,1246 0.144,1247 0.119,1248 0.214,1249 0.132,1250 0.1,1251 4.467,1252 0.132,1253 3.693,1254 0.041,1255 6.624,1256 0.339,1257 4.079,1258 0.097,1259 3.108,1260 4.1,1261 1.277,1262 10.508,1263 3.021,1264 1.933,1265 1.901,1266 2.063,1267 2.056,1268 1.296,1269 2.059,1270 1.91,1271 1.884,1272 2.022,1273 2.007,1274 1.107,1275 2.011,1276 1.814,1277 1.783,1278 1.954,1279 1.929,1280 1.082,1281 1.94,1282 1.518,1283 1.471,1284 1.684,1285 1.721,1286 0.864,1287 1.7,1288 1.482,1289 1.436,1290 1.632,1291 1.612,1292 0.699,1293 1.635,1294 1.204,1295 1.145,1296 1.475,1297 1.425,1298 0.676,1299 1.439,1300 1.135,1301 1.079,1302 1.367,1303 1.322,1304 0.555,1305 1.344,1306 0.895,1307 0.844,1308 1.181,1309 1.089,1310 0.253,1311 1.108,1312 4.143,1314 5.442,1315 2.398,1316 6.936,1317 4.595,1318 8.514,1319 6.581,1320 10.133,1328 2.675,1333 2.273,1340 32.74,1341 70.046,1342 157.87,1343 207.663,1344 244.683,1345 256.193,1346 258.193,1347 47.994,1348 7.509,1349 42.31,1350 42.31,1351 23,1352 12.433,1353 4.392,1354 3.644,1355 42.388,1356 112,1357 112,1358 0.182,1359 200.793,1360 352.16,1361 481.694,1362 20244,1364 19.347,1365 0.691,1366 0.558,1367 19.347,1368 15.622,1369 13.704,1370 0.442,1371 0.306,1372 9.394,1373 13.378,1374 9.177,1375 7.607,1376 13.704,1377 9.477,1378 12.004,1379 0.286,1380 0.167,1381 12.004,1382 7.013,1383 10.255,1384 0.186,1385 0.091,1386 10.255,1387 4.998,1388 8.398,1389 0.12,1390 0.05,1391 8.398,1392 3.526,1393 6.609,1394 0.079,1395 0.028,1396 6.609,1397 2.385,1398 0.287,1399 84.526,1400 0.217,1401 26.852,1402 0.498,1403 146,1404 390.761,1405 155.147,1406 384.664,1407 524.76,1408 360,1409 170,1410 380.259,1411 180.314,1412 389.848,1413 567.08,1414 367,1415 4.523}
{0 CHEMBL1289045,1 1.562,2 9.114,3 3.963,4 15.705,5 129.126,6 7.876,7 0.45,8 4.218,9 4.315,10 3.84,11 3.796,12 5.354,13 3.79,14 4.794,15 4.936,16 4.291,17 4.264,18 5.87,19 4.251,20 5.075,21 5.21,22 4.525,23 4.513,24 6.211,25 4.488,26 5.328,27 5.493,28 4.637,29 4.666,30 6.458,31 4.626,32 5.472,33 5.656,34 4.627,35 4.718,36 6.674,37 4.66,38 5.444,39 5.652,40 4.522,41 4.695,42 6.539,43 4.605,44 5.384,45 5.605,46 4.42,47 4.534,48 6.497,49 4.453,50 5.171,51 5.386,52 4.266,53 4.272,54 6.418,55 4.213,56 0.063,57 0.884,58 10.928,59 5.793,60 10.4,61 6.792,62 0.352,63 1.526,64 22.77,65 9.999,66 38.81,67 11.927,68 0.463,69 2.035,70 29.552,71 13.707,72 59.464,73 16.273,74 0.534,75 2.484,76 40.655,77 17.301,78 80.887,79 21.164,80 1.102,81 2.678,82 50.934,83 19.467,84 162.087,85 23.874,86 0.747,87 2.674,88 50.141,89 20.572,90 116.324,91 26.457,92 0.895,93 2.548,94 49.9,95 18.989,96 122.709,97 24.088,98 1.03,99 2.096,100 41.15,101 15.18,102 139.903,103 18.764,104 41,105 63,106 0.25,107 0.592,108 0.753,109 0.836,110 0.854,111 0.859,112 3.591,113 0.867,114 -4.47,115 -4.4,116 -4.14,121 46.7,123 1,124 1,125 1,126 3,127 1,132 1,144 10,145 4,146 4,159 1,160 1,176 15,180 7,183 1,185 2,187 19,191 2,192 13,195 1,197 3,200 18,205 1,206 16,211 3,214 15,218 2,219 16,222 1,224 3,227 20,231 1,232 10,237 4,239 22,243 2,244 7,249 2,251 17,255 2,256 6,259 2,264 8,269 8,277 2,281 2241,282 23.823,283 23.823,284 23.823,285 23.823,286 23.823,287 21.465,288 30.678,289 13.227,290 24.33,291 19.521,292 19.521,293 19.521,294 19.521,295 19.521,296 15.767,297 37.202,298 5.969,299 20.14,300 4.345,301 2.208,302 1.204,303 0.684,304 0.571,305 0.538,306 4.301,311 1,312 1,313 704,314 3.742,317 199.704,318 261.461,321 238.71,325 1.229,326 50.057,329 1,330 0.67,331 1,332 0.8,333 0.5,334 1,335 1,336 0.85,337 76.5,338 319,339 5.224,340 4.593,341 9.168,342 5.148,343 4.159,344 4.462,345 2.086,346 20.092,347 4.117,348 4.515,349 3.852,350 7.508,351 4.235,352 3.24,353 4.124,354 1.277,355 12.953,356 3.221,357 4.236,358 3.243,359 6.492,360 3.908,361 2.933,362 3.74,363 0.942,364 10.016,365 2.868,366 4.006,367 3.123,368 6.108,369 3.624,370 2.652,371 3.534,372 0.86,373 8.663,374 2.568,375 3.808,376 2.963,377 6.047,378 3.447,379 2.482,380 3.179,381 0.86,382 8.188,383 2.389,384 3.581,385 2.815,386 5.805,387 3.224,388 2.264,389 2.865,390 0.357,391 7.284,392 2.164,393 3.337,394 2.609,395 5.318,396 3.001,397 2.036,398 2.561,399 0.047,400 6.046,401 1.955,402 3.223,403 2.557,404 5.186,405 2.875,406 1.885,407 2.39,409 5.685,410 1.848,411 3.115,412 2.253,413 5.078,414 2.837,415 1.855,416 2.22,418 5.482,419 1.812,420 2.841,421 2.183,422 4.854,423 2.543,424 1.579,425 1.97,427 4.699,428 1.516,429 2.83,430 1.842,431 4.481,432 2.359,433 1.379,434 1.906,436 3.73,437 1.358,438 2.668,439 1.51,440 4.376,441 2.321,442 1.354,443 1.63,445 2.96,446 1.279,447 2.5,448 1.334,449 4.019,450 2.007,451 1.018,452 1.5,454 2.861,455 1.001,456 2.314,457 1.191,458 3.637,459 2,460 1,461 1.256,463 2.275,464 1,465 1.984,466 1.017,467 3.414,468 1.649,469 0.685,470 0.841,472 1.671,473 0.65,474 16.419,475 0.469,476 1.053,477 0.03,478 45.5,479 1.3,480 22.5,481 0.643,482 23,483 0.657,484 35.123,485 1.004,486 36.981,487 0.616,488 42.465,489 1.213,490 9.055,491 0.259,492 7.822,493 0.223,494 0.149,495 0.061,496 0.359,499 1,501 0.657,502 1.06,503 0.693,504 1.018,505 0.524,506 0.893,507 0.867,508 0.842,509 0.742,510 0.759,511 0.584,512 0.724,513 0.805,514 1.052,515 0.868,516 1.054,517 0.884,518 0.992,519 0.882,520 1.035,521 0.953,522 1.106,523 0.977,524 1.055,525 1.021,526 0.816,527 1.082,528 0.959,529 1.088,530 1.016,531 0.749,532 0.926,533 0.98,534 1.057,535 0.887,536 1.071,537 0.976,538 0.95,539 0.989,540 1.019,541 1.14,542 1.014,543 1.065,544 1.09,545 0.955,546 1.006,547 0.993,548 0.972,549 8.5,550 0.16,551 6.667,552 5.403,553 4.072,554 2.651,555 1.414,556 0.988,557 0.701,558 0.257,559 14233,560 40430,561 2.123,562 41.7,563 2,564 21,567 1,569 1,572 1.781,573 1.944,574 3.117,575 -0.401,582 93.711,583 1.562,584 3.699,585 4.703,586 5.223,587 5.336,588 5.369,589 2.592,590 4.822,591 5.095,592 3.293,593 1959.39,594 9.032,595 27349.3,600 354.413,601 1.725,602 5.034,603 0.213,604 0.009,605 0.106,606 0.07,607 0.048,608 0.033,609 0.019,610 0.016,611 0.013,612 0.007,613 0.535,614 0.33,615 0.75,616 0.819,617 179.542,618 -0.027,619 -0.061,620 0.056,621 -0.015,622 -0.027,623 0.03,624 -0.067,625 0.138,626 0.106,627 0.221,628 0.003,629 0.208,630 0.023,631 -0.036,632 -0.023,633 -0.061,634 -0.03,635 -0.055,636 -0.057,637 -0.107,638 -0.062,639 -0.132,640 -0.053,641 -0.104,642 -0.073,643 0.022,644 -0.134,645 -0.004,646 -0.025,647 -0.065,648 -0.008,649 -0.067,650 -0.037,651 -0.066,652 -0.019,653 -0.06,654 -0.005,655 -0.025,656 0.022,657 -0.035,658 -0.088,659 -0.011,660 0.14,661 -0.067,662 0.1,663 -0.021,664 0.111,665 0.016,666 2.473,667 7.624,668 0.771,669 30.606,670 1.01,671 1.119,672 3.24,673 10.5,674 0.682,675 3.714,676 4.159,677 4.625,678 5.063,679 5.403,680 5.656,681 5.927,682 6.161,683 6.317,684 6.42,685 5.673,686 0.66,687 472.55,688 3.714,689 5.333,690 6.282,691 7.261,692 8.243,693 9.239,694 10.236,695 11.242,696 12.248,697 13.259,698 3.3,701 1,705 1,715 10,720 8,722 18,727 1,739 2,740 1,741 60,743 20,744 3,745 40,747 65,748 28,749 18,750 8,751 10,752 1,756 6,757 8,764 1,766 1,767 1,768 2,770 1,772 20,773 8,774 2,777 2,782 2,786 2,791 1,793 25,794 7,795 1,796 7,802 2,808 0.333,809 4,825 1,828 3,829 3,832 2,843 1,855 1,859 2,864 3,866 1,868 35,876 2,877 1,878 2,880 1,881 1,882 2,892 1,893 6.7,896 2,898 2,901 18,902 11.926,903 7.576,904 3.483,907 2.487,908 1.284,909 0.993,910 4.864,911 11.253,912 3.951,913 4.59,914 5.232,915 5.845,916 6.407,917 6.722,918 7.153,919 7.577,920 7.924,921 8.269,922 1,923 77,924 13.177,926 6.164,927 0.026,929 7.871,931 24.744,933 21.904,936 2.371,937 83,941 282.506,942 174.51,943 21.135,945 72.29,946 14.96,948 174.51,949 354.796,950 36.095,951 30.162,952 22.651,953 94.762,954 60.128,955 60.231,956 14.96,957 282.506,959 282.506,960 195.645,961 87.25,964 285.695,965 84.061,968 25.775,969 169.87,972 297.467,973 93.425,974 174.51,977 282.506,978 49.585,979 128.049,980 18.011,981 87.25,982 282.506,983 108.385,984 174.51,986 0.6,987 0.393,988 0.237,989 0.137,990 36,991 16,992 0.046,993 3,994 2,995 1.222,996 4.055,997 405.683,998 0.148,999 29,1000 175.525,1005 22.268,1006 7.645,1007 2.669,1009 108.385,1010 17.402,1015 4.321,1017 18.011,1018 565.402,1019 51,1024 28.611,1028 -0.329,1031 60.629,1032 67.156,1034 0.264,1035 0.626,1036 0.796,1037 0.884,1038 0.903,1039 0.909,1040 5.276,1041 1.885,1042 6.354,1043 6.046,1044 4.844,1045 5.278,1046 2.788,1047 7.418,1048 4.797,1049 6.531,1050 1.855,1051 8.078,1052 5.685,1053 4.796,1054 5.263,1055 1.858,1056 9.126,1057 4.74,1058 7.91,1059 1.579,1060 9.935,1061 5.482,1062 6.708,1063 7.498,1064 3.542,1065 12.44,1066 6.638,1067 9.334,1068 1.379,1069 11.883,1070 4.699,1071 7.55,1072 8.273,1073 3.471,1074 15.093,1075 7.478,1076 10.803,1077 1.354,1078 13.9,1079 3.73,1080 9.042,1081 10.04,1082 4.683,1083 18.132,1084 8.962,1085 12.304,1086 1.018,1087 15.967,1088 2.96,1089 10.246,1090 11.166,1091 5.031,1092 21.045,1093 10.163,1094 13.833,1095 1,1096 18.072,1097 2.861,1098 11.648,1099 12.755,1100 6.01,1101 24.045,1102 11.557,1103 4.159,1104 0.685,1105 20.205,1106 2.275,1107 12.986,1108 14.049,1109 6.554,1110 27.022,1111 12.888,1112 3.24,1113 20.092,1114 22.359,1115 1.671,1116 14.382,1117 15.566,1118 7.416,1119 30.018,1120 14.276,1121 2.933,1122 12.953,1123 24.529,1124 4.462,1125 15.768,1126 16.944,1127 8.054,1128 33.011,1129 15.654,1130 2.652,1131 10.016,1132 26.71,1133 4.124,1134 17.173,1135 18.431,1136 8.856,1137 36.01,1138 17.05,1139 2.482,1140 8.663,1141 28.899,1142 3.74,1143 18.58,1144 19.853,1145 9.541,1146 39.007,1147 18.447,1148 2.264,1149 8.188,1150 31.095,1151 3.534,1152 19.993,1153 21.33,1154 10.312,1155 42.007,1156 19.85,1157 2.036,1158 7.284,1159 33.295,1160 3.179,1161 21.408,1162 22.777,1163 11.021,1164 45.006,1165 21.256,1166 13430,1167 22698,1168 26.353,1169 40.904,1170 63.15,1171 65.458,1172 69.019,1173 62.533,1174 62.587,1175 78.082,1176 12.861,1177 208.034,1178 60.879,1179 6.202,1180 6.593,1181 8.847,1182 6.198,1183 6.159,1184 7.462,1185 3.624,1186 30.229,1187 6.117,1188 18.623,1189 1.579,1190 1.636,1191 1.725,1192 1.563,1193 1.565,1194 1.952,1195 0.322,1196 5.201,1197 1.522,1198 4.168,1199 4.19,1200 4.132,1201 4.092,1202 8.201,1203 4.098,1204 3.937,1205 3.956,1206 3.898,1207 3.861,1208 7.432,1209 3.866,1210 3.894,1211 3.918,1212 3.843,1213 3.828,1214 7.423,1215 3.827,1216 3.663,1217 3.703,1218 3.593,1219 3.541,1220 4.919,1221 3.548,1222 3.403,1223 3.446,1224 3.315,1225 3.18,1226 4.767,1227 3.205,1228 3.299,1229 3.344,1230 3.209,1231 3.09,1232 4.633,1233 3.109,1234 3.25,1235 3.315,1236 3.062,1237 2.963,1238 4.495,1239 2.973,1240 3.119,1241 3.206,1242 2.948,1243 2.898,1244 4.331,1245 2.892,1246 0.131,1247 0.115,1248 0.229,1249 0.129,1250 0.104,1251 5.224,1252 0.112,1253 4.593,1254 0.052,1255 9.168,1256 0.502,1257 5.148,1258 0.103,1259 4.159,1260 4.462,1261 2.086,1262 20.092,1263 4.117,1264 1.939,1265 1.919,1266 2.039,1267 2.014,1268 1.378,1269 2.023,1270 1.885,1271 1.872,1272 1.99,1273 1.978,1274 1.173,1275 1.978,1276 1.88,1277 1.859,1278 1.954,1279 1.97,1280 1.13,1281 1.968,1282 1.633,1283 1.61,1284 1.748,1285 1.804,1286 0.954,1287 1.785,1288 1.506,1289 1.44,1290 1.731,1291 1.709,1292 0.904,1293 1.718,1294 1.234,1295 1.185,1296 1.575,1297 1.523,1298 0.603,1299 1.539,1300 1.193,1301 1.124,1302 1.567,1303 1.521,1304 0.575,1305 1.533,1306 1.128,1307 1.071,1308 1.391,1309 1.428,1310 0.537,1311 1.401,1312 4.394,1314 5.808,1315 3.434,1316 7.449,1317 6.075,1318 9.204,1319 8.42,1320 11.026,1322 4.986,1324 13.862,1328 0.803,1329 3.043,1330 11.013,1332 -0.345,1333 2,1334 -2.366,1340 39.607,1341 93.711,1342 221.917,1343 282.175,1344 313.394,1345 320.149,1346 322.149,1347 84.02,1348 8.766,1349 67.87,1350 67.87,1351 33,1352 13.713,1353 4.392,1354 3.585,1355 46.364,1356 109,1357 150,1358 0.201,1359 233.566,1360 420.29,1361 561.661,1362 69172,1363 1.7,1364 24.535,1365 0.701,1366 0.564,1367 23.665,1368 19.723,1369 16.877,1370 0.422,1371 0.289,1372 11.369,1373 16.17,1374 11.032,1375 9.061,1376 16.484,1377 11.555,1378 15.749,1379 0.25,1380 0.151,1381 15.127,1382 9.536,1383 15.071,1384 0.149,1385 0.081,1386 14.66,1387 8.164,1388 14.055,1389 0.09,1390 0.043,1391 13.904,1392 6.782,1393 12.235,1394 0.055,1395 0.023,1396 12.002,1397 5.177,1398 0.294,1399 106.561,1400 0.195,1401 30.47,1402 0.63,1403 206,1404 627.031,1405 224.374,1406 572.481,1407 781.92,1408 536,1409 267,1410 572.415,1411 287.062,1412 578.148,1413 869.79,1414 542,1415 5.674}
{0 CHEMBL1289159,1 1.5,2 9.974,3 3.725,4 13.873,5 141.836,6 7.568,7 0.419,8 4.337,9 4.432,10 3.926,11 3.87,12 5.449,13 3.867,14 4.913,15 5.063,16 4.354,17 4.323,18 5.93,19 4.315,20 5.14,21 5.262,22 4.611,23 4.586,24 6.244,25 4.565,26 5.423,27 5.58,28 4.731,29 4.762,30 6.531,31 4.722,32 5.6,33 5.785,34 4.706,35 4.82,36 6.763,37 4.756,38 5.562,39 5.77,40 4.619,41 4.795,42 6.604,43 4.702,44 5.526,45 5.743,46 4.579,47 4.669,48 6.571,49 4.595,50 5.386,51 5.586,52 4.505,53 4.514,54 6.505,55 4.461,56 0.058,57 0.925,58 13.569,59 6.65,60 10.579,61 8.011,62 0.481,63 1.567,64 28.178,65 11.15,66 42.375,67 13.629,68 0.516,69 2.011,70 32.875,71 14.749,72 46.085,73 18.088,74 0.498,75 2.608,76 46.081,77 19.147,78 66.195,79 24.096,80 1.243,81 2.95,82 60.123,83 22.012,84 162.725,85 27.724,86 0.805,87 2.859,88 57.661,89 22.943,90 109.756,91 30.292,92 0.995,93 2.652,94 58.052,95 21.29,96 112.942,97 28.014,98 1.184,99 2.272,100 50.289,101 17.982,102 118.232,103 23.212,104 66,105 67,106 0.235,107 0.551,108 0.699,109 0.778,110 0.81,111 0.829,112 3.67,113 0.873,114 -3.25,115 -3.24,116 -3.11,121 44.1,123 1,124 1,125 1,126 5,127 1,132 1,144 9,145 4,146 5,159 1,160 1,176 14,180 9,183 1,185 2,187 17,191 3,192 17,195 1,197 3,200 16,205 1,206 19,211 3,214 14,218 2,219 17,222 1,224 3,227 19,231 2,232 11,237 4,239 19,243 4,244 10,249 1,251 14,255 4,256 12,259 3,264 6,268 1,269 11,272 1,277 1,281 2844,282 26.064,283 26.064,284 26.064,285 26.064,286 26.064,287 23.757,288 36.283,289 14.438,290 26.852,291 20.864,292 20.864,293 20.864,294 20.864,295 20.864,296 17.007,297 45.787,298 6.328,299 21.718,300 4.587,301 2.563,302 1.622,303 1.114,304 0.908,305 0.791,306 4.378,312 1,313 829,314 4.062,317 225.339,318 293.789,321 268.123,325 1.346,326 47.767,329 0.75,330 0.67,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.75,337 83,338 379,339 5.224,340 4.593,341 9.168,342 5.148,343 4.159,344 4.463,345 2.086,346 20.092,347 4.117,348 4.516,349 3.852,350 7.508,351 4.236,352 3.242,353 4.124,354 1.277,355 12.955,356 3.222,357 4.312,358 3.275,359 6.499,360 3.947,361 2.975,362 3.936,363 0.942,364 10.051,365 2.899,366 4.156,367 3.193,368 6.217,369 3.783,370 2.832,371 3.621,372 0.86,373 9.201,374 2.689,375 3.828,376 3.082,377 6.054,378 3.498,379 2.539,380 3.188,381 0.86,382 8.491,383 2.421,384 3.686,385 2.868,386 6.021,387 3.364,388 2.39,389 2.989,390 0.86,391 8.098,392 2.323,393 3.364,394 2.613,395 5.774,396 3.034,397 2.06,398 2.587,399 0.86,400 7.151,401 2.004,402 3.226,403 2.557,404 5.312,405 2.882,406 1.891,407 2.395,408 0.357,409 5.695,410 1.86,411 3.116,412 2.255,413 5.183,414 2.838,415 1.856,416 2.221,417 0.047,418 5.513,419 1.812,420 2.919,421 2.188,422 4.909,423 2.556,424 1.616,425 2.057,427 4.779,428 1.53,429 2.842,430 2.173,431 4.514,432 2.519,433 1.582,434 1.97,436 4.126,437 1.461,438 2.834,439 1.834,440 4.428,441 2.359,442 1.38,443 1.91,445 3.731,446 1.358,447 2.669,448 1.51,449 4.325,450 2.323,451 1.354,452 1.632,454 2.969,455 1.281,456 2.333,457 1.338,458 4.021,459 2.029,460 1.045,461 1.281,463 2.892,464 1.023,465 1.99,466 1.232,467 3.637,468 1.665,469 0.712,470 0.861,472 1.699,473 0.668,474 17.8,475 0.468,476 1.066,477 0.028,478 48.75,479 1.283,480 23.5,481 0.618,482 25.25,483 0.664,484 40.258,485 1.059,486 41,487 0.603,488 47.367,489 1.247,490 9.836,491 0.259,492 8.528,493 0.224,494 0.178,495 0.056,496 0.36,501 0.78,502 1.265,503 0.74,504 1.125,505 0.588,506 0.956,507 1.141,508 0.793,509 0.782,510 0.671,511 0.722,512 0.651,513 0.778,514 1.139,515 0.842,516 1.07,517 0.925,518 0.987,519 0.935,520 1.248,521 0.968,522 1.168,523 1.19,524 1.087,525 1.205,526 0.988,527 1.141,528 0.978,529 1.514,530 1.03,531 0.784,532 1.073,533 0.976,534 1.084,535 1.085,536 1.074,537 0.953,538 0.976,539 0.91,540 0.985,541 1.16,542 0.949,543 0.999,544 0.991,545 0.928,546 1.003,547 0.82,548 0.962,549 9,550 0.254,551 7.111,552 5.715,553 4.423,554 2.832,555 1.551,556 1.279,557 0.918,558 0.409,559 17580,560 47347,561 2.097,562 44.1,563 2,564 26,567 1,569 1,572 1.801,573 1.916,574 3.234,575 -0.4,582 102.024,583 1.5,584 3.525,585 4.465,586 4.973,587 5.179,588 5.297,589 2.685,590 5.09,591 5.213,592 3.407,593 2394.98,594 9.268,595 35543.3,600 413.947,601 1.728,602 5.149,603 0.209,604 0.008,605 0.106,606 0.068,607 0.048,608 0.033,609 0.019,610 0.017,611 0.014,612 0.008,613 0.53,614 0.33,615 0.75,616 0.93,617 200.775,618 -0.029,619 -0.129,620 0.071,621 -0.068,622 -0.027,623 0.007,624 -0.131,625 0.294,626 0.137,627 0.333,628 -0.04,629 0.298,630 0.086,631 -0.04,632 0.02,633 -0.036,634 0.002,635 -0.026,636 -0.06,637 -0.18,638 -0.065,639 -0.158,640 -0.047,641 -0.121,642 -0.116,643 0.035,644 -0.165,645 -0.001,646 -0.047,647 -0.075,648 0.008,649 -0.083,650 -0.03,651 -0.075,652 -0.018,653 -0.064,654 0.039,655 -0.011,656 0.091,657 -0.002,658 -0.029,659 0.044,660 0.162,661 -0.022,662 0.087,663 -0.03,664 0.155,665 0.006,666 2.46,667 7.853,668 0.711,669 36.457,670 1.008,671 1.119,672 2.023,673 4.093,674 0.668,675 3.784,676 4.22,677 4.691,678 5.118,679 5.447,680 5.707,681 5.989,682 6.236,683 6.417,684 6.545,685 6.095,686 0.643,687 514.62,688 3.784,689 5.398,690 6.347,691 7.322,692 8.302,693 9.293,694 10.288,695 11.29,696 12.294,697 13.302,698 2.9,701 1,705 1,715 9,720 9,722 18,727 1,739 4,741 68,743 20,744 3,745 43,747 73,748 30,749 18,750 9,751 9,752 1,756 6,757 8,764 1,766 1,767 1,768 2,770 1,772 20,773 10,774 2,777 2,782 2,786 2,793 30,794 8,795 1,796 8,802 2,808 0.333,809 6,825 1,828 3,829 3,832 2,843 1,855 1,859 2,864 5,868 38,876 2,877 1,878 4,880 1,881 1,882 2,893 8.8,896 2,898 4,901 19.833,902 14.033,903 8.437,904 3.815,907 2.494,908 1.28,909 0.969,910 5.889,911 11.411,912 4.007,913 4.64,914 5.295,915 5.904,916 6.458,917 6.793,918 7.226,919 7.642,920 8.005,921 8.368,922 0.857,923 84,924 14.244,926 6.484,927 0.026,929 7.754,931 26.942,933 23.314,936 2.254,937 85.667,941 341.362,942 188.166,943 21.135,945 94.289,948 188.166,949 435.651,950 21.135,951 51.929,952 22.651,953 85.286,954 60.128,955 83.597,957 341.362,959 341.362,960 209.301,961 94.289,964 329.591,965 106.061,968 25.775,969 183.526,972 341.362,973 115.424,974 188.166,977 341.362,978 50.951,979 140.339,980 18.011,981 94.289,982 341.362,983 115.424,984 188.166,986 0.593,987 0.399,988 0.24,989 0.133,990 37,991 17,992 0.068,993 5,994 2,995 1.222,996 4.225,997 450.276,998 0.148,999 29,1000 197.421,1005 25.079,1006 8.923,1007 3.11,1009 115.424,1010 17.043,1015 6.059,1017 18.011,1018 644.952,1019 54,1024 29.024,1028 -0.27,1031 68.538,1032 76.066,1034 0.246,1035 0.579,1036 0.734,1037 0.817,1038 0.851,1039 0.87,1040 5.33,1041 1.891,1042 6.415,1043 7.151,1044 4.905,1045 5.328,1046 2.955,1047 7.474,1048 4.847,1049 6.582,1050 1.856,1051 8.137,1052 5.695,1053 4.844,1054 5.33,1055 1.858,1056 9.16,1057 4.786,1058 7.962,1059 1.616,1060 9.989,1061 5.513,1062 6.765,1063 7.557,1064 3.603,1065 12.467,1066 6.681,1067 9.388,1068 1.582,1069 11.93,1070 4.779,1071 7.596,1072 8.355,1073 3.471,1074 15.105,1075 7.515,1076 10.856,1077 1.38,1078 13.939,1079 4.126,1080 9.085,1081 10.11,1082 4.698,1083 18.139,1084 8.992,1085 12.357,1086 1.354,1087 15.998,1088 3.731,1089 10.28,1090 11.252,1091 5.031,1092 21.049,1093 10.186,1094 13.884,1095 1.045,1096 18.096,1097 2.969,1098 11.676,1099 12.833,1100 6.013,1101 24.047,1102 11.575,1103 4.159,1104 0.712,1105 20.223,1106 2.892,1107 13.007,1108 14.135,1109 6.554,1110 27.022,1111 12.902,1112 3.242,1113 20.092,1114 22.373,1115 1.699,1116 14.398,1117 15.645,1118 7.416,1119 30.019,1120 14.286,1121 2.975,1122 12.955,1123 24.539,1124 4.463,1125 15.781,1126 17.026,1127 8.054,1128 33.012,1129 15.662,1130 2.832,1131 10.051,1132 26.717,1133 4.124,1134 17.183,1135 18.508,1136 8.856,1137 36.01,1138 17.055,1139 2.539,1140 9.201,1141 28.904,1142 3.936,1143 18.587,1144 19.929,1145 9.541,1146 39.008,1147 18.451,1148 2.39,1149 8.491,1150 31.098,1151 3.621,1152 19.998,1153 21.401,1154 10.312,1155 42.007,1156 19.853,1157 2.06,1158 8.098,1159 33.297,1160 3.188,1161 21.412,1162 22.845,1163 11.021,1164 45.006,1165 21.258,1166 16752,1167 27561,1168 28.145,1169 45.398,1170 67,1171 69.813,1172 74.331,1173 66.433,1174 66.692,1175 82.375,1176 16.301,1177 220.841,1178 64.38,1179 6.202,1180 6.593,1181 8.847,1182 6.199,1183 6.159,1184 7.463,1185 3.624,1186 30.229,1187 6.117,1188 21.435,1189 1.558,1190 1.624,1191 1.729,1192 1.545,1193 1.551,1194 1.916,1195 0.379,1196 5.136,1197 1.497,1198 4.17,1199 4.191,1200 4.133,1201 4.093,1202 7.432,1203 4.099,1204 3.937,1205 3.956,1206 3.898,1207 3.861,1208 7.423,1209 3.866,1210 3.906,1211 3.919,1212 3.861,1213 3.83,1214 4.947,1215 3.834,1216 3.673,1217 3.709,1218 3.602,1219 3.545,1220 4.901,1221 3.554,1222 3.403,1223 3.446,1224 3.315,1225 3.18,1226 4.759,1227 3.205,1228 3.321,1229 3.362,1230 3.227,1231 3.109,1232 4.496,1233 3.129,1234 3.25,1235 3.315,1236 3.065,1237 2.971,1238 4.495,1239 2.98,1240 3.247,1241 3.314,1242 3.062,1243 2.963,1244 4.401,1245 2.973,1246 0.121,1247 0.107,1248 0.213,1249 0.12,1250 0.097,1251 5.224,1252 0.104,1253 4.593,1254 0.049,1255 9.168,1256 0.467,1257 5.148,1258 0.096,1259 4.159,1260 4.463,1261 2.086,1262 20.092,1263 4.117,1264 1.937,1265 1.921,1266 2.029,1267 2.021,1268 1.379,1269 2.022,1270 1.885,1271 1.872,1272 1.988,1273 1.978,1274 1.175,1275 1.979,1276 1.88,1277 1.861,1278 1.954,1279 1.971,1280 1.13,1281 1.968,1282 1.635,1283 1.615,1284 1.748,1285 1.805,1286 0.961,1287 1.785,1288 1.512,1289 1.45,1290 1.739,1291 1.734,1292 0.913,1293 1.737,1294 1.234,1295 1.185,1296 1.577,1297 1.525,1298 0.609,1299 1.541,1300 1.199,1301 1.136,1302 1.574,1303 1.522,1304 0.576,1305 1.538,1306 1.192,1307 1.116,1308 1.57,1309 1.521,1310 0.574,1311 1.534,1312 4.466,1314 5.872,1315 3.434,1316 7.51,1317 6.075,1318 9.262,1319 8.42,1320 11.081,1322 8.248,1328 0.859,1329 3.09,1330 22.22,1332 -0.318,1333 2.049,1334 -2.338,1340 43.707,1341 102.024,1342 239.695,1343 303.644,1344 338.173,1345 352.173,1346 360.173,1347 88.147,1348 8.917,1349 86.33,1350 86.33,1351 33,1352 13.757,1353 4.392,1354 3.585,1355 52.343,1356 127,1357 176,1358 0.193,1359 259.545,1360 466.4,1361 625.05,1362 82287,1364 26.819,1365 0.706,1366 0.581,1367 26.819,1368 22.084,1369 18.364,1370 0.427,1371 0.291,1372 12.263,1373 17.469,1374 11.817,1375 9.775,1376 18.364,1377 12.508,1378 16.639,1379 0.248,1380 0.151,1381 16.639,1382 10.099,1383 16.239,1384 0.15,1385 0.081,1386 16.239,1387 8.702,1388 15.133,1389 0.091,1390 0.043,1391 15.133,1392 7.157,1393 12.885,1394 0.056,1395 0.023,1396 12.885,1397 5.41,1398 0.285,1399 116.846,1400 0.188,1401 32.676,1402 0.598,1403 220,1404 644.391,1405 240.301,1406 602.975,1407 831.93,1408 568,1409 285,1410 611.173,1411 308.242,1412 623.826,1413 935.69,1414 581,1415 5.377}
{0 CHEMBL1289160,1 1.46,2 8.647,3 3.757,4 14.118,5 128.91,6 7.576,7 0.462,8 4.211,9 4.31,10 3.807,11 3.798,12 5.306,13 3.781,14 4.785,15 4.931,16 4.249,17 4.266,18 5.794,19 4.24,20 5.063,21 5.202,22 4.489,23 4.515,24 6.125,25 4.477,26 5.321,27 5.488,28 4.62,29 4.667,30 6.418,31 4.62,32 5.47,33 5.655,34 4.612,35 4.719,36 6.664,37 4.656,38 5.437,39 5.648,40 4.488,41 4.697,42 6.504,43 4.596,44 5.37,45 5.596,46 4.339,47 4.537,48 6.413,49 4.434,50 5.147,51 5.373,52 4.119,53 4.278,54 6.207,55 4.177,56 0.018,57 0.811,58 11.698,59 5.757,60 8.657,61 7.084,62 0.267,63 1.415,64 23.556,65 9.945,66 31.532,67 12.406,68 0.31,69 1.854,70 30.478,71 13.609,72 40.289,73 17.108,74 0.32,75 2.363,76 41.716,77 17.234,78 59.274,79 21.862,80 0.918,81 2.651,82 52.08,83 19.452,84 146.173,85 24.267,86 0.536,87 2.572,88 50.485,89 20.519,90 99.454,91 27.008,92 0.596,93 2.345,94 49.269,95 18.907,96 94.708,97 24.869,98 0.71,99 1.838,100 40.084,101 15.047,102 92.202,103 19.753,104 30,105 61,106 0.234,107 0.566,108 0.72,109 0.808,110 0.847,111 0.859,112 3.563,113 0.881,114 -4.37,115 -4.31,116 -4.06,121 46.7,123 1,124 1,125 1,126 3,127 1,132 1,144 11,145 4,146 3,159 1,160 1,176 17,180 7,183 1,185 2,187 21,191 2,192 13,195 1,197 3,200 19,205 1,206 16,211 3,214 16,218 2,219 16,222 1,224 3,227 21,231 1,232 11,237 4,239 23,243 2,244 8,249 2,251 20,255 2,256 7,259 2,261 1,264 11,269 8,277 4,281 2036,282 23.376,283 23.376,284 23.376,285 23.376,286 23.376,287 21.042,288 29.05,289 13.141,290 23.82,291 19.054,292 19.054,293 19.054,294 19.054,295 19.054,296 15.362,297 36.539,298 5.932,299 19.549,300 4.447,301 2.369,302 1.411,303 0.856,304 0.617,305 0.538,306 4.276,311 1,312 1,313 653,314 3.674,317 190.012,318 250.32,321 227.971,325 1.218,326 39.009,329 1,330 0.67,331 1,332 0.8,333 0.5,334 1,335 1,336 0.85,337 73,338 294,339 5.224,340 4.593,341 9.168,342 5.148,343 4.159,344 4.462,345 2.086,346 20.092,347 4.117,348 4.515,349 3.852,350 7.508,351 4.235,352 3.24,353 4.124,354 1.277,355 12.953,356 3.221,357 4.228,358 3.241,359 6.492,360 3.904,361 2.929,362 3.701,363 0.942,364 10.015,365 2.863,366 3.939,367 3.116,368 6.105,369 3.592,370 2.617,371 3.428,372 0.86,373 8.653,374 2.544,375 3.793,376 2.913,377 6.047,378 3.431,379 2.458,380 3.17,381 0.86,382 8.181,383 2.383,384 3.443,385 2.643,386 5.801,387 3.096,388 2.112,389 2.68,390 0.357,391 7.246,392 2.075,393 3.238,394 2.558,395 5.314,396 2.903,397 1.917,398 2.425,399 0.047,400 5.7,401 1.881,402 3.13,403 2.271,404 5.183,405 2.84,406 1.858,407 2.24,409 5.53,410 1.814,411 3.005,412 2.185,413 4.926,414 2.692,415 1.708,416 2.143,418 4.865,419 1.676,420 2.839,421 1.926,422 4.524,423 2.418,424 1.444,425 1.97,427 3.778,428 1.402,429 2.78,430 1.573,431 4.421,432 2.359,433 1.355,434 1.856,436 3.385,437 1.358,438 2.653,439 1.488,440 4.032,441 2.3,442 1.348,443 1.615,445 2.944,446 1.263,447 2.5,448 1.312,449 3.637,450 2,451 1,452 1.5,454 2.441,455 1,456 2.254,457 1.075,458 3.542,459 1.925,460 0.929,461 1.178,463 2.136,464 0.923,465 1.98,466 1.015,467 3.304,468 1.639,469 0.674,470 0.832,472 1.616,473 0.64,474 16.133,475 0.475,476 0.946,477 0.028,478 44.75,479 1.316,480 22.5,481 0.662,482 22.25,483 0.654,484 33.569,485 0.987,486 35.467,487 0.591,488 40.461,489 1.19,490 8.851,491 0.26,492 7.632,493 0.224,494 0.134,495 0.062,496 0.335,501 0.722,502 1.163,503 0.737,504 1.019,505 0.555,506 0.9,507 0.985,508 0.87,509 0.79,510 0.757,511 0.646,512 0.738,513 0.769,514 1.116,515 0.856,516 1.056,517 0.912,518 0.985,519 0.998,520 1.197,521 0.95,522 1.112,523 1.2,524 1.035,525 1.329,526 0.978,527 1.13,528 0.964,529 1.555,530 1.002,531 0.857,532 1.047,533 1.008,534 1.061,535 1.103,536 1.061,537 1.03,538 0.983,539 1.009,540 1.019,541 1.24,542 1.015,543 1.003,544 0.961,545 0.987,546 1,547 0.906,548 0.999,549 7.5,550 0.082,551 6.222,552 5.34,553 3.881,554 2.582,555 1.309,556 0.807,557 0.537,558 0.179,559 13152,560 33143,561 2.145,562 43.3,563 2,564 22,567 1,569 1,572 1.774,573 1.981,574 3.06,575 -0.421,582 87.596,583 1.46,584 3.537,585 4.496,586 5.05,587 5.29,588 5.369,589 2.498,590 4.771,591 5.055,592 3.23,593 1811.92,594 8.952,595 24788,597 1,600 354.413,601 1.686,602 4.999,603 0.192,604 0.006,605 0.102,606 0.071,607 0.047,608 0.032,609 0.018,610 0.014,611 0.012,612 0.006,613 0.501,614 0.33,615 0.88,616 0.797,617 172.391,618 -0.019,619 -0.073,620 0.067,621 -0.015,622 -0.026,623 0.031,624 -0.069,625 0.207,626 0.099,627 0.225,628 -0.026,629 0.196,630 0.093,631 -0.066,632 0.021,633 -0.063,634 -0.009,635 -0.041,636 -0.032,637 -0.161,638 -0.024,639 -0.135,640 -0.031,641 -0.088,642 -0.08,643 0.038,644 -0.14,645 -0.003,646 -0.009,647 -0.066,648 -0.005,649 -0.073,650 -0.045,651 -0.066,653 -0.063,654 -0.014,655 -0.026,656 0.001,657 -0.034,658 -0.073,659 -0.019,660 0.14,661 -0.02,662 0.045,663 -0.017,664 0.058,665 -0.006,666 2.374,667 7.631,668 0.794,669 28.522,670 1.002,671 1.114,672 3.142,673 9.874,674 0.683,675 3.689,676 4.127,677 4.605,678 5.05,679 5.384,680 5.635,681 5.905,682 6.127,683 6.269,684 6.366,685 5.487,686 0.654,687 454.56,688 3.689,689 5.303,690 6.256,691 7.235,692 8.22,693 9.218,694 10.218,695 11.225,696 12.233,697 13.245,698 3.3,701 1,705 1,715 11,720 7,722 18,727 1,739 2,741 60,743 20,744 3,745 39,747 65,748 28,749 18,750 7,751 11,752 1,756 6,757 8,764 1,766 1,767 1,768 2,770 1,772 20,773 8,774 2,777 2,782 2,786 2,793 26,794 6,795 1,796 6,802 2,808 0.333,809 4,825 1,828 3,829 3,832 2,843 1,855 1,859 2,864 3,868 34,876 2,877 1,878 2,880 1,881 1,882 2,893 6.7,896 2,898 2,901 17.167,902 11.867,903 7.41,904 3.503,907 2.487,908 1.286,909 0.993,910 4.674,911 11.198,912 3.932,913 4.559,914 5.208,915 5.826,916 6.379,917 6.687,918 7.132,919 7.546,920 7.881,921 8.221,922 0.833,923 75,924 12.761,926 5.895,927 0.026,929 7.716,931 24.323,933 21.535,936 2.216,937 75.333,940 1,941 294.278,942 174.865,943 21.135,945 72.29,948 174.865,949 366.567,950 21.135,951 30.162,952 22.651,953 104.239,954 60.128,955 51.11,957 294.278,959 294.278,960 196.001,961 72.29,964 282.506,965 84.061,968 25.775,969 170.225,972 294.278,973 93.425,974 174.865,977 294.278,978 40.464,979 137.526,980 18.011,981 72.29,982 294.278,983 93.425,984 174.865,986 0.595,987 0.395,988 0.244,989 0.139,990 35,991 15,992 0.046,993 3,994 2,995 1.222,996 3.997,997 391.383,998 0.148,999 29,1000 168.974,1005 21.394,1006 7.427,1007 2.525,1009 93.425,1010 21.519,1015 5.273,1017 18.011,1018 562.568,1019 50,1024 28.624,1028 -0.164,1031 60.116,1032 66.817,1034 0.247,1035 0.599,1036 0.761,1037 0.855,1038 0.896,1039 0.909,1040 5.25,1041 1.858,1042 6.323,1043 5.7,1044 4.812,1045 5.247,1046 2.788,1047 7.392,1048 4.774,1049 6.498,1050 1.708,1051 8.048,1052 5.53,1053 4.745,1054 5.19,1055 1.858,1056 9.114,1057 4.703,1058 7.874,1059 1.444,1060 9.91,1061 4.865,1062 6.678,1063 7.457,1064 3.542,1065 12.433,1066 6.618,1067 9.299,1068 1.355,1069 11.865,1070 3.778,1071 7.523,1072 8.216,1073 3.471,1074 15.092,1075 7.46,1076 10.769,1077 1.348,1078 13.887,1079 3.385,1080 9.024,1081 9.999,1082 4.683,1083 18.131,1084 8.951,1085 12.273,1086 1,1087 15.958,1088 2.944,1089 10.234,1090 11.121,1091 5.031,1092 21.045,1093 10.155,1094 13.806,1095 0.929,1096 18.066,1097 2.441,1098 11.639,1099 12.72,1100 6.01,1101 24.045,1102 11.552,1103 4.159,1104 0.674,1105 20.202,1106 2.136,1107 12.98,1108 14.014,1109 6.554,1110 27.022,1111 12.885,1112 3.24,1113 20.092,1114 22.357,1115 1.616,1116 14.378,1117 15.536,1118 7.416,1119 30.018,1120 14.274,1121 2.929,1122 12.953,1123 24.528,1124 4.462,1125 15.766,1126 16.916,1127 8.054,1128 33.011,1129 15.653,1130 2.617,1131 10.015,1132 26.709,1133 4.124,1134 17.172,1135 18.407,1136 8.856,1137 36.01,1138 17.049,1139 2.458,1140 8.653,1141 28.899,1142 3.701,1143 18.578,1144 19.832,1145 9.541,1146 39.007,1147 18.446,1148 2.112,1149 8.181,1150 31.095,1151 3.428,1152 19.992,1153 21.311,1154 10.312,1155 42.007,1156 19.85,1157 1.917,1158 7.246,1159 33.295,1160 3.17,1161 21.407,1162 22.76,1163 11.021,1164 45.006,1165 21.255,1166 12359,1167 19700,1168 25.948,1169 40.966,1170 61.525,1171 63.606,1172 66.652,1173 60.864,1174 60.993,1175 76.314,1176 12.861,1177 201.819,1178 59.664,1179 6.202,1180 6.593,1181 8.97,1182 6.198,1183 6.159,1184 7.462,1185 3.624,1186 30.229,1187 6.117,1188 16.447,1189 1.578,1190 1.631,1191 1.709,1192 1.561,1193 1.564,1194 1.957,1195 0.33,1196 5.175,1197 1.53,1198 4.168,1199 4.189,1200 4.13,1201 4.092,1202 7.432,1203 4.098,1204 3.937,1205 3.956,1206 3.898,1207 3.861,1208 7.423,1209 3.866,1210 3.885,1211 3.912,1212 3.818,1213 3.828,1214 4.92,1215 3.822,1216 3.659,1217 3.699,1218 3.581,1219 3.541,1220 4.781,1221 3.546,1222 3.403,1223 3.446,1224 3.315,1225 3.18,1226 4.728,1227 3.205,1228 3.297,1229 3.343,1230 3.199,1231 3.09,1232 4.495,1233 3.106,1234 3.25,1235 3.315,1236 3.062,1237 2.963,1238 4.345,1239 2.973,1240 3.113,1241 3.202,1242 2.908,1243 2.899,1244 4.193,1245 2.887,1246 0.134,1247 0.118,1248 0.235,1249 0.132,1250 0.107,1251 5.224,1252 0.114,1253 4.593,1254 0.053,1255 9.168,1256 0.515,1257 5.148,1258 0.106,1259 4.159,1260 4.462,1261 2.086,1262 20.092,1263 4.117,1264 1.944,1265 1.921,1266 2.057,1267 2.013,1268 1.378,1269 2.029,1270 1.887,1271 1.872,1272 1.993,1273 1.978,1274 1.174,1275 1.979,1276 1.88,1277 1.861,1278 1.955,1279 1.969,1280 1.13,1281 1.968,1282 1.636,1283 1.612,1284 1.75,1285 1.804,1286 0.961,1287 1.785,1288 1.51,1289 1.443,1290 1.746,1291 1.708,1292 0.914,1293 1.724,1294 1.234,1295 1.185,1296 1.575,1297 1.523,1298 0.604,1299 1.539,1300 1.193,1301 1.124,1302 1.567,1303 1.521,1304 0.575,1305 1.533,1306 1.128,1307 1.071,1308 1.397,1309 1.428,1310 0.54,1311 1.401,1312 4.369,1314 5.778,1315 3.434,1316 7.42,1317 6.075,1318 9.177,1319 8.42,1320 11.003,1322 5.122,1328 1.021,1329 3.094,1330 11.07,1332 -0.174,1333 2.087,1334 -2.139,1340 39.224,1341 87.596,1342 212.248,1343 269.73,1344 303.029,1345 317.394,1346 322.149,1347 72.902,1348 8.71,1349 67.87,1350 67.87,1351 33,1352 13.698,1353 4.392,1354 3.585,1355 44.43,1356 103,1357 131,1358 0.205,1359 232.368,1360 414.22,1361 558.738,1362 65047,1364 23.665,1365 0.696,1366 0.571,1367 23.665,1368 19.423,1369 16.484,1370 0.423,1371 0.294,1372 11.295,1373 15.895,1374 10.938,1375 9.013,1376 16.484,1377 11.455,1378 15.127,1379 0.248,1380 0.154,1381 15.127,1382 9.396,1383 14.66,1384 0.148,1385 0.082,1386 14.66,1387 8.094,1388 13.904,1389 0.09,1390 0.044,1391 13.904,1392 6.773,1393 12.002,1394 0.055,1395 0.024,1396 12.002,1397 5.157,1398 0.299,1399 103.332,1400 0.196,1401 29.682,1402 0.647,1403 200,1404 532.92,1405 214.544,1406 510.388,1407 710.57,1408 480,1409 260,1410 529.082,1411 277.152,1412 541.637,1413 816.53,1414 508,1415 5.506}
{0 CHEMBL1289273,1 1.562,2 8.686,3 4.422,4 19.552,5 133.714,6 8.15,7 0.45,8 4.215,9 4.309,10 3.869,11 3.817,12 5.324,13 3.8,14 4.791,15 4.93,16 4.328,17 4.29,18 5.822,19 4.264,20 5.071,21 5.201,22 4.584,23 4.546,24 6.162,25 4.507,26 5.33,27 5.486,28 4.708,29 4.7,30 6.451,31 4.651,32 5.48,33 5.654,34 4.731,35 4.755,36 6.694,37 4.691,38 5.449,39 5.647,40 4.678,41 4.744,42 6.574,43 4.647,44 5.384,45 5.594,46 4.564,47 4.592,48 6.505,49 4.493,50 5.162,51 5.371,52 4.303,53 4.341,54 6.268,55 4.239,56 0.045,57 0.799,58 10.543,59 5.607,60 9.046,61 6.742,62 0.317,63 1.397,64 22.693,65 9.88,66 33.922,67 11.951,68 0.384,69 1.823,70 30.094,71 13.592,72 45.845,73 16.553,74 0.46,75 2.325,76 43.292,77 17.515,78 68.916,79 21.336,80 1.101,81 2.608,82 55.067,83 19.942,84 155.749,85 23.743,86 0.739,87 2.526,88 54.753,89 21.126,90 112.876,91 26.758,92 0.842,93 2.294,94 55.719,95 19.71,96 114.499,97 24.816,98 0.846,99 1.797,100 45.873,101 15.852,102 100.162,103 19.784,104 41,105 63,106 0.25,107 0.592,108 0.749,109 0.838,110 0.87,111 0.881,112 3.591,113 0.895,114 -4.57,115 -4.49,116 -4.23,121 46.7,123 1,124 1,125 1,126 3,127 1,132 1,144 10,145 4,146 4,159 1,160 1,176 15,180 7,183 1,185 2,187 20,191 2,192 13,195 1,197 3,200 20,205 1,206 15,211 3,214 17,218 2,219 16,222 1,224 3,227 19,231 1,232 11,237 3,239 23,243 2,244 9,249 3,251 21,255 2,256 5,259 2,261 1,264 12,269 10,277 5,281 2199,282 23.876,283 23.876,284 23.876,285 23.876,286 23.876,287 21.489,288 29.307,289 13.302,290 24.43,291 19.522,292 19.522,293 19.522,294 19.522,295 19.522,296 15.749,297 36.414,298 5.982,299 20.249,300 4.345,301 2.208,302 1.225,303 0.671,304 0.471,305 0.404,306 4.301,308 1,312 1,313 672,314 3.742,317 195.741,318 259.229,321 235.148,325 1.216,326 44.091,329 1,330 0.67,331 1,332 0.8,333 0.5,334 1,335 1,336 0.85,337 75.333,338 304,339 5.225,340 4.593,341 9.168,342 5.149,343 4.16,344 4.465,345 2.086,346 20.095,347 4.117,348 4.517,349 3.854,350 7.514,351 4.239,352 3.245,353 4.124,354 1.277,355 12.992,356 3.223,357 4.295,358 3.325,359 6.553,360 3.946,361 2.977,362 3.858,363 0.942,364 10.205,365 2.884,366 4.079,367 3.183,368 6.271,369 3.69,370 2.74,371 3.566,372 0.86,373 9.151,374 2.588,375 3.807,376 3.03,377 6.05,378 3.452,379 2.49,380 3.176,381 0.86,382 8.301,383 2.389,384 3.479,385 2.744,386 5.887,387 3.146,388 2.173,389 2.704,390 0.357,391 7.544,392 2.101,393 3.243,394 2.559,395 5.364,396 2.916,397 1.941,398 2.429,399 0.047,400 5.831,401 1.886,402 3.134,403 2.427,404 5.216,405 2.841,406 1.86,407 2.242,409 5.642,410 1.814,411 3.017,412 2.2,413 5.143,414 2.732,415 1.76,416 2.143,418 5.253,419 1.696,420 2.86,421 2.144,422 4.721,423 2.418,424 1.448,425 2.007,427 4.056,428 1.402,429 2.839,430 1.738,431 4.449,432 2.359,433 1.414,434 1.97,436 3.644,437 1.358,438 2.769,439 1.542,440 4.098,441 2.347,442 1.354,443 1.843,445 3.027,446 1.27,447 2.65,448 1.486,449 3.93,450 2.293,451 1.344,452 1.614,454 2.944,455 1.23,456 2.274,457 1.312,458 3.637,459 1.933,460 0.936,461 1.201,463 2.492,464 0.93,465 1.983,466 1.071,467 3.59,468 1.644,469 0.679,470 0.838,472 1.639,473 0.645,474 16.848,475 0.481,476 1.036,477 0.03,478 45.5,479 1.3,480 22.5,481 0.643,482 23,483 0.657,484 36.615,485 1.046,486 36.552,487 0.609,488 41.581,489 1.188,490 8.94,491 0.255,492 7.955,493 0.227,494 0.171,495 0.059,496 0.35,501 0.697,502 1.163,503 0.616,504 0.955,505 0.547,506 0.864,507 0.939,508 0.864,509 0.664,510 0.699,511 0.632,512 0.698,513 0.784,514 1.112,515 0.806,516 1.009,517 0.906,518 0.957,519 1.017,520 1.199,521 0.963,522 1.103,523 1.205,524 1.04,525 1.291,526 0.982,527 1.076,528 0.964,529 1.543,530 1.003,531 0.852,532 1.041,533 0.964,534 1.032,535 1.065,536 1.033,537 1.013,538 0.982,539 1.034,540 1.027,541 1.189,542 1.006,543 1.09,544 0.954,545 1.138,546 1.014,547 0.971,548 1.009,549 8,550 0.082,551 6.667,552 5.653,553 4.072,554 2.773,555 1.554,556 0.91,557 0.638,558 0.234,559 13969,560 38798,561 2.123,562 41.7,563 2,564 21,567 1,569 1,572 1.782,573 1.944,574 3.062,575 -0.401,582 93.711,583 1.562,584 3.699,585 4.682,586 5.236,587 5.436,588 5.502,589 2.495,590 5.015,591 5.098,592 3.236,593 1925.39,594 9.039,595 26865,600 354.413,601 1.725,602 5.034,603 0.2,604 0.005,605 0.106,606 0.072,607 0.047,608 0.033,609 0.02,610 0.014,611 0.013,612 0.007,613 0.518,614 0.33,615 0.75,616 0.819,617 178.939,618 -0.027,619 -0.073,620 0.038,621 -0.015,622 -0.029,623 0.027,624 -0.074,625 0.214,626 0.089,627 0.24,628 -0.018,629 0.212,630 0.061,631 -0.064,632 0.004,633 -0.052,634 -0.014,635 -0.038,636 -0.067,637 -0.163,638 -0.074,639 -0.146,640 -0.059,641 -0.108,642 -0.091,643 0.036,644 -0.126,645 -0.009,646 -0.049,647 -0.073,648 0.023,649 -0.068,650 0.017,651 -0.038,652 0.033,653 -0.036,654 0.028,655 -0.028,656 0.046,657 -0.026,658 -0.018,659 -0.003,660 0.076,661 -0.016,662 -0.005,663 -0.007,664 0.019,665 -0.007,666 2.44,667 7.7,668 0.771,669 29.252,670 1.007,671 1.113,672 3.338,673 11.141,674 0.697,675 3.714,676 4.159,677 4.635,678 5.075,679 5.412,680 5.67,681 5.943,682 6.165,683 6.312,684 6.42,685 5.543,686 0.668,687 489,688 3.714,689 5.333,690 6.286,691 7.266,692 8.251,693 9.249,694 10.249,695 11.256,696 12.264,697 13.276,698 3.3,701 1,705 1,715 10,720 8,722 18,727 1,739 2,740 1,741 60,743 20,744 3,745 40,747 65,748 28,749 18,750 8,751 10,752 1,756 6,757 8,758 1,764 1,766 1,767 1,768 2,770 1,772 20,773 8,774 2,777 2,782 2,786 2,793 25,794 6,795 1,796 7,797 1,802 2,808 0.333,809 4,825 1,828 3,829 3,832 2,843 1,855 1,859 2,864 3,865 1,868 35,876 2,877 1,878 2,880 1,881 1,882 2,892 1,893 6.7,896 2,898 2,901 18,902 11.926,903 7.604,904 3.49,907 2.506,908 1.286,909 0.992,910 5.051,911 11.271,912 3.951,913 4.59,914 5.24,915 5.854,916 6.406,917 6.722,918 7.158,919 7.575,920 7.917,921 8.268,922 0.833,923 78,924 13.139,926 6.099,927 0.026,929 7.76,931 24.884,933 22.017,936 2.26,937 79.111,941 282.506,942 168.89,943 21.135,944 39.149,945 72.29,948 168.89,949 393.945,950 21.135,951 30.162,952 22.651,953 94.762,954 60.128,955 54.611,957 282.506,958 39.149,959 282.506,960 190.025,961 72.29,962 39.149,964 270.735,965 84.061,968 25.775,969 164.25,970 39.149,972 282.506,973 93.425,974 208.038,977 282.506,978 43.965,979 128.049,980 18.011,981 111.438,982 282.506,983 93.425,984 208.038,986 0.598,987 0.398,988 0.242,989 0.138,990 36,991 16,992 0.046,993 3,994 2,995 1.222,996 4.023,997 408.646,998 0.148,999 29,1000 179.525,1005 22.597,1006 7.823,1007 2.691,1009 93.425,1010 18.912,1015 5.473,1017 18.011,1018 583.97,1019 51,1024 28.744,1028 -0.259,1031 60.44,1032 66.761,1034 0.264,1035 0.626,1036 0.793,1037 0.886,1038 0.92,1039 0.932,1040 5.276,1041 1.86,1042 6.358,1043 5.831,1044 4.844,1045 5.278,1046 2.788,1047 7.427,1048 4.787,1049 6.531,1050 1.76,1051 8.085,1052 5.642,1053 4.796,1054 5.263,1055 1.858,1056 9.137,1057 4.724,1058 7.911,1059 1.448,1060 9.946,1061 5.253,1062 6.713,1063 7.503,1064 3.542,1065 12.453,1066 6.631,1067 9.338,1068 1.414,1069 11.897,1070 4.056,1071 7.561,1072 8.291,1073 3.471,1074 15.102,1075 7.474,1076 10.81,1077 1.354,1078 13.914,1079 3.644,1080 9.053,1081 10.058,1082 4.683,1083 18.139,1084 8.96,1085 12.314,1086 1.344,1087 15.981,1088 3.027,1089 10.26,1090 11.196,1091 5.031,1092 21.05,1093 10.164,1094 13.846,1095 0.936,1096 18.085,1097 2.944,1098 11.66,1099 12.785,1100 6.01,1101 24.048,1102 11.559,1103 4.16,1104 0.679,1105 20.216,1106 2.492,1107 12.997,1108 14.087,1109 6.554,1110 27.024,1111 12.891,1112 3.245,1113 20.095,1114 22.369,1115 1.639,1116 14.392,1117 15.603,1118 7.416,1119 30.021,1120 14.278,1121 2.977,1122 12.992,1123 24.537,1124 4.465,1125 15.777,1126 16.985,1127 8.054,1128 33.014,1129 15.657,1130 2.74,1131 10.205,1132 26.716,1133 4.124,1134 17.181,1135 18.47,1136 8.856,1137 36.012,1138 17.052,1139 2.49,1140 9.151,1141 28.904,1142 3.858,1143 18.587,1144 19.894,1145 9.541,1146 39.01,1147 18.449,1148 2.173,1149 8.301,1150 31.099,1151 3.566,1152 19.999,1153 21.369,1154 10.312,1155 42.009,1156 19.852,1157 1.941,1158 7.544,1159 33.298,1160 3.176,1161 21.414,1162 22.815,1163 11.021,1164 45.009,1165 21.257,1166 13187,1167 22047,1168 26.353,1169 41.824,1170 63.131,1171 65.519,1172 69.212,1173 62.63,1174 62.578,1175 78.08,1176 12.861,1177 208.443,1178 60.438,1179 6.204,1180 6.593,1181 8.853,1182 6.199,1183 6.16,1184 7.465,1185 3.624,1186 30.239,1187 6.117,1188 18.381,1189 1.578,1190 1.638,1191 1.73,1192 1.566,1193 1.564,1194 1.952,1195 0.322,1196 5.211,1197 1.511,1198 4.168,1199 4.189,1200 4.148,1201 4.094,1202 7.432,1203 4.099,1204 3.937,1205 3.956,1206 3.965,1207 3.861,1208 7.423,1209 3.866,1210 3.89,1211 3.911,1212 3.898,1213 3.842,1214 4.946,1215 3.835,1216 3.66,1217 3.699,1218 3.606,1219 3.543,1220 4.902,1221 3.548,1222 3.403,1223 3.446,1224 3.315,1225 3.18,1226 4.759,1227 3.205,1228 3.297,1229 3.343,1230 3.295,1231 3.09,1232 4.495,1233 3.106,1234 3.25,1235 3.315,1236 3.198,1237 2.963,1238 4.371,1239 2.973,1240 3.113,1241 3.202,1242 3.062,1243 2.901,1244 4.321,1245 2.889,1246 0.131,1247 0.115,1248 0.229,1249 0.129,1250 0.104,1251 5.225,1252 0.112,1253 4.593,1254 0.052,1255 9.168,1256 0.502,1257 5.149,1258 0.103,1259 4.16,1260 4.465,1261 2.086,1262 20.095,1263 4.117,1264 1.94,1265 1.922,1266 2.029,1267 2.001,1268 1.379,1269 2.016,1270 1.886,1271 1.872,1272 1.989,1273 1.978,1274 1.174,1275 1.977,1276 1.88,1277 1.861,1278 1.954,1279 1.967,1280 1.13,1281 1.968,1282 1.635,1283 1.612,1284 1.749,1285 1.804,1286 0.959,1287 1.785,1288 1.509,1289 1.443,1290 1.743,1291 1.705,1292 0.912,1293 1.721,1294 1.234,1295 1.185,1296 1.575,1297 1.523,1298 0.604,1299 1.539,1300 1.193,1301 1.124,1302 1.567,1303 1.521,1304 0.575,1305 1.533,1306 1.128,1307 1.071,1308 1.397,1309 1.428,1310 0.54,1311 1.401,1312 4.394,1314 5.808,1315 3.434,1316 7.453,1317 6.075,1318 9.212,1319 8.42,1320 11.037,1322 5.06,1323 6.729,1328 0.878,1329 3.076,1330 11.066,1332 -0.31,1333 2.042,1334 -2.298,1340 40.051,1341 93.711,1342 221.917,1343 280.929,1344 314.149,1345 326.149,1346 330.149,1347 79.643,1348 8.766,1349 67.87,1350 67.87,1351 33,1352 13.729,1353 4.392,1354 3.585,1355 46.315,1356 107,1357 137,1358 0.205,1359 240.701,1360 429.43,1361 579.07,1362 69172,1363 1.7,1364 24.535,1365 0.701,1366 0.585,1367 25.035,1368 20.479,1369 16.894,1370 0.422,1371 0.298,1372 11.43,1373 16.013,1374 11.04,1375 9.07,1376 17.183,1377 11.939,1378 15.655,1379 0.248,1380 0.157,1381 16.026,1382 9.914,1383 15.136,1384 0.148,1385 0.083,1386 15.494,1387 8.516,1388 14.253,1389 0.09,1390 0.045,1391 14.555,1392 7.086,1393 12.248,1394 0.055,1395 0.024,1396 12.504,1397 5.384,1398 0.299,1399 108.972,1400 0.195,1401 30.344,1402 0.649,1403 206,1404 567.124,1405 236.063,1406 572.352,1407 782.52,1408 536,1409 268,1410 556.945,1411 296.862,1412 579.027,1413 873.15,1414 543,1415 5.367}
{0 CHEMBL1289274,1 1.663,2 9.167,3 4.627,4 21.412,5 133.931,6 8.45,7 0.439,8 4.223,9 4.314,10 3.9,11 3.816,12 5.371,13 3.808,14 4.799,15 4.935,16 4.367,17 4.288,18 5.899,19 4.275,20 5.083,21 5.209,22 4.59,23 4.539,24 6.243,25 4.511,26 5.333,27 5.492,28 4.693,29 4.685,30 6.473,31 4.644,32 5.478,33 5.655,34 4.742,35 4.743,36 6.697,37 4.687,38 5.454,39 5.651,40 4.705,41 4.74,42 6.599,43 4.653,44 5.401,45 5.602,46 4.579,47 4.592,48 6.583,49 4.508,50 5.179,51 5.385,52 4.415,53 4.319,54 6.452,55 4.261,56 0.097,57 0.872,58 9.702,59 5.642,60 11.422,61 6.453,62 0.415,63 1.507,64 21.769,65 9.935,66 41.188,67 11.479,68 0.567,69 2.006,70 29.393,71 13.696,72 66.115,73 15.703,74 0.665,75 2.463,76 39.472,77 17.375,78 89.144,79 20.598,80 1.283,81 2.647,82 50.88,83 19.693,84 170.44,85 23.314,86 0.958,87 2.632,88 52.914,89 21.113,90 131.873,91 26.176,92 1.191,93 2.489,94 59.539,95 20.071,96 147.547,97 24.022,98 1.138,99 2.075,100 42.337,101 15.702,102 145.426,103 18.768,104 54,105 65,106 0.266,107 0.617,108 0.778,109 0.849,110 0.854,111 0.859,112 3.618,113 0.88,114 -4.66,115 -4.58,116 -4.31,121 46.7,123 1,124 1,125 1,126 3,127 1,132 1,144 9,145 4,146 5,159 1,160 1,176 13,180 7,183 1,185 2,187 19,191 2,192 13,195 1,197 3,200 20,205 1,206 15,211 2,214 14,218 2,219 16,222 1,224 4,227 19,231 1,232 10,237 4,239 21,243 2,244 8,249 2,251 16,255 2,256 6,259 2,264 10,269 6,277 4,281 2420,282 24.271,283 24.271,284 24.271,285 24.271,286 24.271,287 21.887,288 32.279,289 13.368,290 24.914,291 20.004,292 20.004,293 20.004,294 20.004,295 20.004,296 16.178,297 38.813,298 6.056,299 20.891,300 4.244,301 2.052,302 1.047,303 0.604,304 0.571,305 0.538,306 4.326,308 1,312 1,313 725,314 3.808,317 207.105,318 270.503,321 247.198,325 1.259,326 54.932,329 0.75,330 0.67,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.75,337 78.833,338 330,339 5.225,340 4.593,341 9.168,342 5.149,343 4.159,344 4.47,345 2.086,346 20.093,347 4.117,348 4.521,349 3.853,350 7.509,351 4.239,352 3.245,353 4.136,354 1.277,355 12.963,356 3.223,357 4.249,358 3.243,359 6.493,360 3.912,361 2.939,362 3.768,363 0.942,364 10.02,365 2.869,366 4.013,367 3.124,368 6.111,369 3.626,370 2.654,371 3.564,372 0.86,373 8.663,374 2.57,375 3.879,376 3.025,377 6.071,378 3.499,379 2.55,380 3.257,381 0.86,382 8.315,383 2.411,384 3.631,385 2.915,386 5.807,387 3.257,388 2.31,389 2.927,390 0.357,391 7.309,392 2.177,393 3.408,394 2.745,395 5.328,396 3.021,397 2.104,398 2.677,399 0.047,400 6.08,401 1.957,402 3.304,403 2.558,404 5.186,405 2.988,406 2.035,407 2.515,409 5.967,410 1.883,411 3.182,412 2.494,413 5.08,414 2.837,415 1.855,416 2.351,418 5.685,419 1.815,420 3.102,421 2.253,422 4.935,423 2.739,424 1.762,425 2.19,427 5.185,428 1.632,429 2.831,430 2.183,431 4.851,432 2.533,433 1.563,434 1.908,436 4.664,437 1.507,438 2.668,439 1.842,440 4.481,441 2.321,442 1.379,443 1.63,445 3.73,446 1.279,447 2.5,448 1.334,449 4.38,450 2.013,451 1.026,452 1.5,454 2.925,455 1.007,456 2.321,457 1.204,458 4.022,459 2,460 1,461 1.268,463 2.275,464 1,465 1.986,466 1.017,467 3.414,468 1.658,469 0.698,470 0.85,472 1.75,473 0.659,474 17.133,475 0.476,476 1.159,477 0.032,478 46.25,479 1.285,480 22.5,481 0.625,482 23.75,483 0.66,484 37.985,485 1.055,486 38.067,487 0.634,488 43.591,489 1.211,490 9.128,491 0.254,492 8.143,493 0.226,494 0.185,495 0.058,496 0.374,499 1,501 0.647,502 1.058,503 0.591,504 0.954,505 0.524,506 0.858,507 0.846,508 0.837,509 0.637,510 0.701,511 0.574,512 0.685,513 0.828,514 1.053,515 0.874,516 1.043,517 0.894,518 0.997,519 0.862,520 1.037,521 0.825,522 1.067,523 0.969,524 1.044,525 0.958,526 0.82,527 0.881,528 0.923,529 1.068,530 0.99,531 0.742,532 0.919,533 0.897,534 1.012,535 0.864,536 1.032,537 1.057,538 0.953,539 1.28,540 1.116,541 1.174,542 1.085,543 1.046,544 1.082,545 0.825,546 0.929,547 0.972,548 0.918,549 9.5,550 0.222,551 6.889,552 5.465,553 4.263,554 2.929,555 1.51,556 1.154,557 0.75,558 0.331,559 15178,560 47253,561 2.103,562 40,563 2,564 20,567 1,569 1,572 1.788,573 1.912,574 3.132,575 -0.383,582 99.768,583 1.663,584 3.855,585 4.86,586 5.302,587 5.336,588 5.369,589 2.603,590 5.059,591 5.136,592 3.314,593 2087.76,594 9.115,595 29734.1,600 354.413,601 1.752,602 5.067,603 0.232,604 0.011,605 0.106,606 0.069,607 0.05,608 0.034,609 0.019,610 0.017,611 0.013,612 0.008,613 0.56,614 0.33,615 0.75,616 0.835,617 186.334,618 -0.032,619 -0.061,620 0.032,621 -0.015,622 -0.028,623 0.027,624 -0.071,625 0.144,626 0.095,627 0.237,628 0.013,629 0.225,630 -0.008,631 -0.039,632 -0.085,633 -0.086,634 -0.044,635 -0.086,636 -0.065,637 -0.107,638 -0.063,639 -0.128,640 -0.063,641 -0.108,642 -0.043,643 0.019,644 -0.045,645 0.013,646 -0.028,647 -0.043,648 0.019,649 -0.062,650 0.042,651 -0.026,652 0.007,653 -0.021,654 -0.036,655 -0.033,656 -0.107,657 -0.104,658 -0.1,659 -0.075,660 0.12,661 -0.055,662 0.153,663 0.058,664 0.115,665 0.078,666 2.567,667 7.676,668 0.75,669 32.481,670 1.016,671 1.118,672 3.435,673 11.796,674 0.696,675 3.738,676 4.19,677 4.644,678 5.081,679 5.434,680 5.697,681 5.964,682 6.207,683 6.372,684 6.475,685 5.768,686 0.674,687 506.99,688 3.738,689 5.361,690 6.308,691 7.287,692 8.268,693 9.264,694 10.261,695 11.266,696 12.272,697 13.284,698 3.3,701 1,705 1,715 9,720 9,722 18,727 1,739 2,740 2,741 60,743 20,744 3,745 41,747 65,748 28,749 18,750 9,751 9,752 1,756 6,757 8,758 1,764 1,766 1,767 1,768 2,770 1,772 20,773 8,774 2,777 2,782 2,786 2,791 1,793 24,794 7,795 1,796 8,797 1,802 2,808 0.333,809 4,825 1,828 3,829 3,832 2,843 1,855 1,859 2,864 3,865 1,866 1,868 36,876 2,877 1,878 2,880 1,881 1,882 2,892 2,893 6.7,896 2,898 2,901 18.833,902 11.986,903 7.743,904 3.463,907 2.487,908 1.281,909 0.992,910 5.242,911 11.335,912 3.97,913 4.62,914 5.256,915 5.871,916 6.445,917 6.775,918 7.194,919 7.621,920 7.97,921 8.317,922 1,923 79,924 13.553,926 6.364,927 0.026,929 7.91,931 25.305,933 22.381,936 2.41,937 86.778,941 270.735,942 168.535,943 21.135,944 39.149,945 72.29,946 14.96,948 168.535,949 382.174,950 36.095,951 30.162,952 22.651,953 85.286,954 60.128,955 63.732,956 14.96,957 270.735,958 39.149,959 270.735,960 189.67,961 87.25,962 39.149,964 273.924,965 84.061,968 25.775,969 163.894,970 39.149,972 285.695,973 93.425,974 207.683,977 270.735,978 53.086,979 118.573,980 18.011,981 126.398,982 270.735,983 108.385,984 207.683,986 0.603,987 0.39,988 0.232,989 0.137,990 37,991 17,992 0.046,993 3,994 2,995 1.222,996 4.094,997 421.937,998 0.148,999 29,1000 182.117,1005 23.475,1006 8.04,1007 2.901,1009 108.385,1010 14.992,1015 4.453,1017 18.011,1018 586.803,1019 52,1024 28.731,1028 -0.424,1031 60.952,1032 67.1,1034 0.282,1035 0.653,1036 0.823,1037 0.898,1038 0.903,1039 0.909,1040 5.301,1041 2.035,1042 6.385,1043 6.08,1044 4.875,1045 5.308,1046 2.788,1047 7.444,1048 4.811,1049 6.562,1050 1.855,1051 8.107,1052 5.967,1053 4.844,1054 5.33,1055 1.858,1056 9.137,1057 4.761,1058 7.944,1059 1.762,1060 9.959,1061 5.685,1062 6.737,1063 7.537,1064 3.542,1065 12.448,1066 6.648,1067 9.369,1068 1.563,1069 11.902,1070 5.185,1071 7.576,1072 8.328,1073 3.471,1074 15.095,1075 7.487,1076 10.836,1077 1.379,1078 13.913,1079 4.664,1080 9.06,1081 10.08,1082 4.683,1083 18.134,1084 8.967,1085 12.335,1086 1.026,1087 15.976,1088 3.73,1089 10.26,1090 11.212,1091 5.031,1092 21.046,1093 10.166,1094 13.86,1095 1,1096 18.078,1097 2.925,1098 11.658,1099 12.794,1100 6.01,1101 24.046,1102 11.56,1103 4.159,1104 0.698,1105 20.209,1106 2.275,1107 12.993,1108 14.09,1109 6.554,1110 27.022,1111 12.89,1112 3.245,1113 20.093,1114 22.362,1115 1.75,1116 14.387,1117 15.604,1118 7.416,1119 30.019,1120 14.278,1121 2.939,1122 12.963,1123 24.531,1124 4.47,1125 15.773,1126 16.983,1127 8.054,1128 33.012,1129 15.656,1130 2.654,1131 10.02,1132 26.711,1133 4.136,1134 17.177,1135 18.469,1136 8.856,1137 36.01,1138 17.051,1139 2.55,1140 8.663,1141 28.9,1142 3.768,1143 18.583,1144 19.893,1145 9.541,1146 39.008,1147 18.448,1148 2.31,1149 8.315,1150 31.096,1151 3.564,1152 19.996,1153 21.369,1154 10.312,1155 42.008,1156 19.851,1157 2.104,1158 7.309,1159 33.296,1160 3.257,1161 21.411,1162 22.817,1163 11.021,1164 45.007,1165 21.256,1166 14383,1167 25438,1168 26.759,1169 41.762,1170 64.879,1171 67.517,1172 71.201,1173 64.291,1174 64.168,1175 79.834,1176 12.861,1177 214.205,1178 61.644,1179 6.203,1180 6.593,1181 8.709,1182 6.199,1183 6.159,1184 7.47,1185 3.624,1186 30.232,1187 6.117,1188 20.544,1189 1.582,1190 1.647,1191 1.737,1192 1.568,1193 1.565,1194 1.947,1195 0.314,1196 5.225,1197 1.504,1198 4.169,1199 4.19,1200 4.153,1201 4.094,1202 8.201,1203 4.1,1204 3.939,1205 3.955,1206 3.969,1207 3.869,1208 7.432,1209 3.872,1210 3.894,1211 3.918,1212 3.851,1213 3.829,1214 7.423,1215 3.828,1216 3.666,1217 3.702,1218 3.703,1219 3.549,1220 4.949,1221 3.555,1222 3.404,1223 3.445,1224 3.437,1225 3.185,1226 4.905,1227 3.21,1228 3.306,1229 3.343,1230 3.269,1231 3.106,1232 4.646,1233 3.121,1234 3.25,1235 3.315,1236 3.062,1237 2.963,1238 4.495,1239 2.973,1240 3.119,1241 3.206,1242 3.026,1243 2.9,1244 4.436,1245 2.894,1246 0.127,1247 0.112,1248 0.224,1249 0.126,1250 0.101,1251 5.225,1252 0.109,1253 4.593,1254 0.051,1255 9.168,1256 0.49,1257 5.149,1258 0.1,1259 4.159,1260 4.47,1261 2.086,1262 20.093,1263 4.117,1264 1.938,1265 1.919,1266 2.037,1267 2.013,1268 1.378,1269 2.022,1270 1.881,1271 1.872,1272 1.959,1273 1.978,1274 1.173,1275 1.969,1276 1.88,1277 1.86,1278 1.948,1279 1.956,1280 1.129,1281 1.961,1282 1.632,1283 1.611,1284 1.742,1285 1.801,1286 0.952,1287 1.782,1288 1.506,1289 1.44,1290 1.731,1291 1.709,1292 0.903,1293 1.718,1294 1.234,1295 1.185,1296 1.575,1297 1.523,1298 0.603,1299 1.539,1300 1.193,1301 1.124,1302 1.567,1303 1.521,1304 0.575,1305 1.533,1306 1.125,1307 1.072,1308 1.391,1309 1.419,1310 0.537,1311 1.393,1312 4.419,1314 5.838,1315 3.434,1316 7.478,1317 6.075,1318 9.23,1319 8.42,1320 11.05,1322 4.929,1323 6.434,1324 13.892,1328 0.715,1329 3.012,1330 11.009,1332 -0.393,1333 1.955,1334 -2.526,1340 40.434,1341 99.768,1342 231.297,1343 291.619,1344 318.149,1345 320.149,1346 322.149,1347 90.514,1348 8.849,1349 67.87,1350 67.87,1351 33,1352 13.737,1353 4.392,1354 3.585,1355 48.296,1356 114,1357 156,1358 0.2,1359 241.899,1360 435.5,1361 581.993,1362 76190,1363 3.3,1364 25.405,1365 0.706,1366 0.577,1367 25.035,1368 20.78,1369 17.271,1370 0.421,1371 0.293,1372 11.498,1373 16.255,1374 11.125,1375 9.111,1376 17.166,1377 12.033,1378 16.383,1379 0.252,1380 0.156,1381 16.169,1382 10.117,1383 15.417,1384 0.15,1385 0.082,1386 15.269,1387 8.454,1388 14.247,1389 0.089,1390 0.044,1391 14.306,1392 6.972,1393 12.552,1394 0.055,1395 0.024,1396 12.619,1397 5.403,1398 0.293,1399 112.1,1400 0.193,1401 31.168,1402 0.627,1403 212,1404 661.235,1405 245.894,1406 634.638,1407 853.29,1408 592,1409 274,1410 599.278,1411 303.82,1412 614.796,1413 923.36,1414 576,1415 5.432}
{0 CHEMBL1289391,1 1.593,2 10.026,3 4.389,4 19.263,5 146.641,6 8.074,7 0.409,8 4.341,9 4.432,10 3.981,11 3.888,12 5.464,13 3.884,14 4.918,15 5.062,16 4.425,17 4.346,18 5.958,19 4.337,20 5.148,21 5.261,22 4.671,23 4.61,24 6.275,25 4.586,26 5.428,27 5.579,28 4.782,29 4.779,30 6.545,31 4.738,32 5.605,33 5.784,34 4.813,35 4.842,36 6.783,37 4.781,38 5.571,39 5.768,40 4.786,41 4.835,42 6.661,43 4.746,44 5.541,45 5.741,46 4.716,47 4.72,48 6.651,49 4.642,50 5.392,51 5.585,52 4.625,53 4.551,54 6.537,55 4.498,56 0.092,57 0.914,58 12.414,59 6.55,60 10.885,61 7.693,62 0.547,63 1.55,64 27.684,65 11.201,66 45.669,67 13.236,68 0.607,69 1.981,70 32.821,71 14.787,72 51.835,73 17.543,74 0.622,75 2.587,76 44.939,77 19.258,78 72.422,79 23.538,80 1.427,81 2.921,82 60.622,83 22.311,84 169.675,85 27.219,86 1.009,87 2.818,88 61.039,89 23.61,90 123.601,91 30.117,92 1.288,93 2.593,94 68.11,95 22.516,96 138.326,97 28.111,98 1.289,99 2.251,100 51.425,101 18.559,102 122.613,103 23.135,104 81,105 69,106 0.249,107 0.572,108 0.718,109 0.787,110 0.81,111 0.829,112 3.695,113 0.885,114 -3.44,115 -3.42,116 -3.27,121 44.1,123 1,124 1,125 1,126 5,127 1,132 1,144 8,145 4,146 6,159 1,160 1,176 12,180 9,183 1,185 2,187 17,191 3,192 17,195 1,197 3,200 18,205 1,206 18,211 2,214 13,218 2,219 17,222 1,224 4,227 18,231 2,232 11,237 4,239 18,243 4,244 11,249 1,251 13,255 4,256 12,259 3,264 9,268 1,269 8,272 1,277 2,281 3056,282 26.511,283 26.511,284 26.511,285 26.511,286 26.511,287 24.18,288 37.884,289 14.578,290 27.436,291 21.347,292 21.347,293 21.347,294 21.347,295 21.347,296 17.417,297 47.399,298 6.415,299 22.469,300 4.494,301 2.429,302 1.497,303 1.056,304 0.908,305 0.791,306 4.401,308 1,312 1,313 852,314 4.123,317 232.741,318 302.831,321 276.611,325 1.365,326 52.619,329 0.75,330 0.67,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.75,337 85.333,338 391,339 5.225,340 4.593,341 9.168,342 5.149,343 4.159,344 4.471,345 2.086,346 20.093,347 4.117,348 4.522,349 3.853,350 7.51,351 4.241,352 3.247,353 4.136,354 1.277,355 12.965,356 3.224,357 4.315,358 3.275,359 6.499,360 3.949,361 2.977,362 3.94,363 0.942,364 10.053,365 2.899,366 4.173,367 3.193,368 6.219,369 3.788,370 2.838,371 3.673,372 0.86,373 9.205,374 2.692,375 3.88,376 3.087,377 6.071,378 3.516,379 2.564,380 3.257,381 0.86,382 8.501,383 2.428,384 3.74,385 3,386 6.031,387 3.419,388 2.461,389 3.04,390 0.86,391 8.221,392 2.345,393 3.445,394 2.774,395 5.775,396 3.068,397 2.133,398 2.719,399 0.86,400 7.166,401 2.012,402 3.309,403 2.558,404 5.323,405 2.99,406 2.049,407 2.52,408 0.357,409 6.015,410 1.89,411 3.187,412 2.494,413 5.183,414 2.839,415 1.856,416 2.357,417 0.047,418 5.693,419 1.818,420 3.102,421 2.255,422 4.945,423 2.743,424 1.767,425 2.19,427 5.219,428 1.635,429 2.919,430 2.188,431 4.896,432 2.545,433 1.613,434 2.057,436 4.73,437 1.519,438 2.835,439 2.173,440 4.515,441 2.519,442 1.567,443 1.912,445 4.126,446 1.461,447 2.669,448 1.834,449 4.43,450 2.323,451 1.38,452 1.632,454 3.731,455 1.281,456 2.34,457 1.338,458 4.326,459 2.034,460 1.051,461 1.292,463 2.961,464 1.028,465 1.993,466 1.242,467 4.024,468 1.676,469 0.727,470 0.873,472 1.782,473 0.678,474 18.514,475 0.475,476 1.172,477 0.03,478 49.5,479 1.269,480 23.5,481 0.603,482 26,483 0.667,484 43.269,485 1.109,486 42.086,487 0.619,488 48.519,489 1.244,490 9.908,491 0.254,492 8.85,493 0.227,494 0.21,495 0.054,496 0.373,501 0.761,502 1.264,503 0.633,504 1.06,505 0.581,506 0.921,507 1.101,508 0.787,509 0.673,510 0.619,511 0.698,512 0.613,513 0.805,514 1.141,515 0.86,516 1.057,517 0.934,518 0.989,519 0.911,520 1.251,521 0.845,522 1.126,523 1.162,524 1.074,525 1.129,526 0.994,527 0.937,528 0.942,529 1.457,530 1.003,531 0.773,532 1.066,533 0.896,534 1.038,535 1.039,536 1.036,537 1.028,538 0.979,539 1.177,540 1.067,541 1.194,542 1.006,543 0.979,544 0.984,545 0.802,546 0.933,547 0.793,548 0.916,549 10,550 0.332,551 7.333,552 5.778,553 4.614,554 3.11,555 1.647,556 1.445,557 0.943,558 0.504,559 18645,560 54810,561 2.079,562 42.6,563 2,564 25,567 1,569 1,572 1.807,573 1.887,574 3.242,575 -0.383,582 108.35,583 1.593,584 3.658,585 4.591,586 5.032,587 5.179,588 5.297,589 2.688,590 5.234,591 5.251,592 3.422,593 2535.98,594 9.345,595 38334.4,600 413.947,601 1.749,602 5.18,603 0.227,604 0.01,605 0.106,606 0.067,607 0.049,608 0.034,609 0.019,610 0.018,611 0.013,612 0.009,613 0.553,614 0.33,615 0.75,616 0.941,617 207.667,618 -0.036,619 -0.13,620 0.045,621 -0.064,622 -0.032,623 0.005,624 -0.135,625 0.303,626 0.123,627 0.349,628 -0.026,629 0.315,630 0.049,631 -0.044,632 -0.051,633 -0.061,634 -0.017,635 -0.055,636 -0.069,637 -0.181,638 -0.069,639 -0.155,640 -0.063,641 -0.127,642 -0.086,643 0.033,644 -0.078,645 0.014,646 -0.051,647 -0.056,648 0.033,649 -0.077,650 0.043,651 -0.037,652 0.019,653 -0.028,654 0.009,655 -0.02,656 -0.031,657 -0.059,658 -0.036,659 -0.008,660 0.141,661 -0.011,662 0.128,663 0.033,664 0.161,665 0.053,666 2.554,667 7.905,668 0.692,669 38.387,670 1.013,671 1.118,672 2.213,673 4.899,674 0.68,675 3.807,676 4.248,677 4.71,678 5.136,679 5.476,680 5.746,681 6.023,682 6.279,683 6.466,684 6.596,685 6.179,686 0.655,687 549.06,688 3.807,689 5.425,690 6.372,691 7.347,692 8.325,693 9.317,694 10.311,695 11.313,696 12.317,697 13.325,698 2.9,701 1,705 1,715 8,720 10,722 18,727 1,739 4,740 1,741 68,743 20,744 3,745 44,747 73,748 30,749 18,750 10,751 8,752 1,756 6,757 8,758 1,764 1,766 1,767 1,768 2,770 1,772 20,773 10,774 2,777 2,782 2,786 2,793 29,794 8,795 1,796 9,797 1,802 2,808 0.333,809 6,825 1,828 3,829 3,832 2,843 1,855 1,859 2,864 5,865 1,868 39,876 2,877 1,878 4,880 1,881 1,882 2,892 1,893 8.8,896 2,898 4,901 20.667,902 14.093,903 8.604,904 3.795,907 2.493,908 1.277,909 0.969,910 6.286,911 11.488,912 4.025,913 4.668,914 5.317,915 5.929,916 6.494,917 6.842,918 7.264,919 7.684,920 8.047,921 8.412,922 0.857,923 86,924 14.619,926 6.683,927 0.026,929 7.793,931 27.502,933 23.792,936 2.293,937 89.444,941 329.591,942 182.19,943 21.135,944 39.149,945 94.289,948 182.19,949 463.029,950 21.135,951 51.929,952 22.651,953 75.81,954 60.128,955 87.097,957 329.591,958 39.149,959 329.591,960 203.325,961 94.289,962 39.149,964 317.82,965 106.061,968 25.775,969 177.55,970 39.149,972 329.591,973 115.424,974 221.339,977 329.591,978 54.452,979 130.863,980 18.011,981 133.438,982 329.591,983 115.424,984 221.339,986 0.597,987 0.396,988 0.236,989 0.133,990 38,991 18,992 0.068,993 5,994 2,995 1.222,996 4.264,997 467.107,998 0.148,999 29,1000 206.131,1005 26.296,1006 9.323,1007 3.344,1009 115.424,1010 14.624,1015 6.188,1017 18.011,1018 666.354,1019 55,1024 29.144,1028 -0.365,1031 68.862,1032 76.01,1034 0.262,1035 0.601,1036 0.754,1037 0.827,1038 0.851,1039 0.87,1040 5.354,1041 2.049,1042 6.444,1043 7.166,1044 4.934,1045 5.357,1046 2.955,1047 7.498,1048 4.86,1049 6.612,1050 1.856,1051 8.164,1052 6.015,1053 4.89,1054 5.394,1055 1.858,1056 9.171,1057 4.806,1058 7.994,1059 1.767,1060 10.011,1061 5.693,1062 6.792,1063 7.594,1064 3.603,1065 12.475,1066 6.69,1067 9.42,1068 1.613,1069 11.948,1070 5.219,1071 7.621,1072 8.405,1073 3.471,1074 15.108,1075 7.523,1076 10.888,1077 1.567,1078 13.952,1079 4.73,1080 9.102,1081 10.147,1082 4.698,1083 18.141,1084 8.997,1085 12.386,1086 1.38,1087 16.007,1088 4.126,1089 10.293,1090 11.294,1091 5.031,1092 21.05,1093 10.19,1094 13.91,1095 1.051,1096 18.102,1097 3.731,1098 11.685,1099 12.868,1100 6.013,1101 24.048,1102 11.577,1103 4.159,1104 0.727,1105 20.227,1106 2.961,1107 13.014,1108 14.173,1109 6.554,1110 27.023,1111 12.904,1112 3.247,1113 20.093,1114 22.375,1115 1.782,1116 14.404,1117 15.68,1118 7.416,1119 30.02,1120 14.288,1121 2.977,1122 12.965,1123 24.54,1124 4.471,1125 15.785,1126 17.062,1127 8.054,1128 33.012,1129 15.663,1130 2.838,1131 10.053,1132 26.718,1133 4.136,1134 17.186,1135 18.543,1136 8.856,1137 36.011,1138 17.057,1139 2.564,1140 9.205,1141 28.905,1142 3.94,1143 18.59,1144 19.966,1145 9.541,1146 39.008,1147 18.452,1148 2.461,1149 8.501,1150 31.099,1151 3.673,1152 20.001,1153 21.437,1154 10.312,1155 42.008,1156 19.854,1157 2.133,1158 8.221,1159 33.298,1160 3.257,1161 21.414,1162 22.883,1163 11.021,1164 45.007,1165 21.259,1166 17831,1167 30643,1168 28.55,1169 46.256,1170 68.749,1171 71.858,1172 76.534,1173 68.206,1174 68.279,1175 84.134,1176 16.301,1177 227.025,1178 65.149,1179 6.204,1180 6.593,1181 8.721,1182 6.2,1183 6.159,1184 7.471,1185 3.624,1186 30.232,1187 6.117,1188 23.332,1189 1.562,1190 1.633,1191 1.739,1192 1.55,1193 1.552,1194 1.912,1195 0.37,1196 5.16,1197 1.481,1198 4.171,1199 4.191,1200 4.154,1201 4.094,1202 7.432,1203 4.101,1204 3.939,1205 3.955,1206 3.97,1207 3.869,1208 7.423,1209 3.872,1210 3.907,1211 3.919,1212 3.867,1213 3.831,1214 4.964,1215 3.835,1216 3.677,1217 3.708,1218 3.711,1219 3.553,1220 4.917,1221 3.561,1222 3.404,1223 3.446,1224 3.443,1225 3.185,1226 4.9,1227 3.21,1228 3.326,1229 3.361,1230 3.275,1231 3.122,1232 4.497,1233 3.14,1234 3.25,1235 3.315,1236 3.095,1237 2.976,1238 4.495,1239 2.984,1240 3.247,1241 3.314,1242 3.062,1243 2.963,1244 4.472,1245 2.973,1246 0.119,1247 0.104,1248 0.208,1249 0.117,1250 0.095,1251 5.225,1252 0.102,1253 4.593,1254 0.047,1255 9.168,1256 0.457,1257 5.149,1258 0.094,1259 4.159,1260 4.471,1261 2.086,1262 20.093,1263 4.117,1264 1.936,1265 1.922,1266 2.026,1267 2.021,1268 1.379,1269 2.021,1270 1.881,1271 1.872,1272 1.958,1273 1.978,1274 1.176,1275 1.969,1276 1.879,1277 1.862,1278 1.947,1279 1.957,1280 1.13,1281 1.962,1282 1.634,1283 1.615,1284 1.742,1285 1.802,1286 0.959,1287 1.782,1288 1.512,1289 1.45,1290 1.738,1291 1.734,1292 0.912,1293 1.737,1294 1.234,1295 1.185,1296 1.577,1297 1.525,1298 0.609,1299 1.541,1300 1.199,1301 1.136,1302 1.574,1303 1.522,1304 0.576,1305 1.538,1306 1.192,1307 1.116,1308 1.57,1309 1.521,1310 0.574,1311 1.534,1312 4.489,1314 5.9,1315 3.434,1316 7.537,1317 6.075,1318 9.287,1319 8.42,1320 11.104,1322 8.169,1323 6.501,1328 0.771,1329 3.059,1330 22.213,1332 -0.366,1333 2.004,1334 -2.497,1340 44.534,1341 108.35,1342 248.754,1343 312.173,1344 342.173,1345 352.173,1346 360.173,1347 94.857,1348 8.995,1349 86.33,1350 86.33,1351 33,1352 13.781,1353 4.392,1354 3.585,1355 54.378,1356 132,1357 183,1358 0.193,1359 267.878,1360 481.61,1361 645.382,1362 89985,1363 1.5,1364 27.69,1365 0.71,1366 0.593,1367 28.19,1368 23.141,1369 18.758,1370 0.426,1371 0.295,1372 12.393,1373 17.554,1374 11.91,1375 9.824,1376 19.047,1377 12.985,1378 17.273,1379 0.25,1380 0.155,1381 17.681,1382 10.68,1383 16.586,1384 0.151,1385 0.082,1386 16.848,1387 8.991,1388 15.325,1389 0.091,1390 0.043,1391 15.535,1392 7.346,1393 13.201,1394 0.055,1395 0.024,1396 13.502,1397 5.636,1398 0.285,1399 122.385,1400 0.187,1401 33.352,1402 0.597,1403 226,1404 678.595,1405 261.82,1406 665.132,1407 903.3,1408 624,1409 292,1410 638.036,1411 325.001,1412 660.475,1413 989.26,1414 615,1415 5.377}
{0 CHEMBL1289392,1 1.562,2 8.714,3 4.422,4 19.552,5 133.714,6 8.15,7 0.45,8 4.215,9 4.309,10 3.869,11 3.817,12 5.323,13 3.8,14 4.791,15 4.93,16 4.328,17 4.29,18 5.825,19 4.264,20 5.07,21 5.201,22 4.557,23 4.541,24 6.161,25 4.501,26 5.326,27 5.487,28 4.677,29 4.686,30 6.434,31 4.639,32 5.476,33 5.654,34 4.729,35 4.743,36 6.687,37 4.683,38 5.448,39 5.647,40 4.676,41 4.741,42 6.567,43 4.645,44 5.387,45 5.593,46 4.51,47 4.595,48 6.506,49 4.489,50 5.155,51 5.372,52 4.29,53 4.324,54 6.248,55 4.227,56 0.045,57 0.799,58 10.543,59 5.607,60 9.007,61 6.742,62 0.317,63 1.397,64 22.693,65 9.88,66 34.217,67 11.951,68 0.395,69 1.824,70 30.552,71 13.595,72 46.443,73 16.554,74 0.434,75 2.342,76 40.756,77 17.304,78 66.124,79 21.314,80 1.091,81 2.621,82 52.352,83 19.676,84 153.013,85 23.715,86 0.727,87 2.532,88 53.755,89 21.055,90 112.322,91 26.75,92 0.874,93 2.284,94 59.35,95 19.982,96 118.697,97 24.847,98 0.795,99 1.818,100 41.881,101 15.567,102 96.306,103 19.753,104 41,105 63,106 0.25,107 0.592,108 0.758,109 0.841,110 0.854,111 0.859,112 3.591,113 0.895,114 -4.57,115 -4.49,116 -4.23,121 46.7,123 1,124 1,125 1,126 3,127 1,132 1,144 10,145 4,146 4,159 1,160 1,176 15,180 7,183 1,185 2,187 21,191 2,192 13,195 1,197 3,200 21,205 1,206 15,211 2,214 15,218 2,219 16,222 1,224 4,227 20,231 1,232 11,237 4,239 22,243 2,244 9,249 2,251 19,255 2,256 7,259 2,261 1,264 13,269 6,277 5,281 2204,282 23.823,283 23.823,284 23.823,285 23.823,286 23.823,287 21.465,288 30.652,289 13.282,290 24.404,291 19.538,292 19.538,293 19.538,294 19.538,295 19.538,296 15.773,297 38.151,298 6.019,299 20.299,300 4.345,301 2.208,302 1.171,303 0.65,304 0.571,305 0.538,306 4.301,308 1,312 1,313 674,314 3.742,317 197.414,318 259.362,321 236.459,325 1.241,326 43.699,329 1,330 0.67,331 1,332 0.8,333 0.5,334 1,335 1,336 0.85,337 75.333,338 305,339 5.225,340 4.593,341 9.168,342 5.149,343 4.159,344 4.47,345 2.086,346 20.093,347 4.117,348 4.521,349 3.853,350 7.509,351 4.239,352 3.245,353 4.136,354 1.277,355 12.963,356 3.223,357 4.243,358 3.241,359 6.492,360 3.908,361 2.935,362 3.741,363 0.942,364 10.018,365 2.865,366 3.943,367 3.117,368 6.108,369 3.593,370 2.617,371 3.446,372 0.86,373 8.653,374 2.546,375 3.878,376 3.017,377 6.071,378 3.492,379 2.541,380 3.257,381 0.86,382 8.31,383 2.407,384 3.526,385 2.825,386 5.804,387 3.142,388 2.188,389 2.812,390 0.357,391 7.269,392 2.09,393 3.323,394 2.56,395 5.325,396 2.991,397 2.063,398 2.543,399 0.047,400 6.018,401 1.898,402 3.216,403 2.505,404 5.183,405 2.851,406 1.863,407 2.407,409 5.697,410 1.825,411 3.106,412 2.271,413 4.952,414 2.777,415 1.814,416 2.196,418 5.252,419 1.699,420 3.004,421 2.185,422 4.907,423 2.659,424 1.666,425 2.143,427 4.798,428 1.607,429 2.78,430 1.926,431 4.525,432 2.416,433 1.442,434 1.859,436 3.779,437 1.401,438 2.653,439 1.555,440 4.424,441 2.3,442 1.348,443 1.615,445 3.4,446 1.263,447 2.5,448 1.314,449 4.035,450 2,451 1,452 1.5,454 2.49,455 1,456 2.262,457 1.082,458 3.544,459 1.934,460 0.94,461 1.192,463 2.136,464 0.931,465 1.982,466 1.015,467 3.361,468 1.646,469 0.683,470 0.838,472 1.677,473 0.647,474 16.848,475 0.481,476 1.053,477 0.03,478 45.5,479 1.3,480 22.5,481 0.643,482 23,483 0.657,484 36.383,485 1.04,486 36.552,487 0.609,488 41.567,489 1.188,490 8.924,491 0.255,492 7.953,493 0.227,494 0.171,495 0.059,496 0.35,501 0.697,502 1.163,503 0.616,504 0.955,505 0.548,506 0.864,507 0.939,508 0.864,509 0.664,510 0.699,511 0.624,512 0.698,513 0.796,514 1.119,515 0.858,516 1.045,517 0.918,518 0.989,519 0.952,520 1.202,521 0.813,522 1.073,523 1.167,524 1.023,525 1.207,526 0.986,527 0.904,528 0.929,529 1.488,530 0.975,531 0.83,532 1.04,533 0.909,534 1.016,535 1.05,536 1.021,537 1.121,538 0.987,539 1.295,540 1.118,541 1.274,542 1.083,543 0.975,544 0.951,545 0.839,546 0.923,547 0.874,548 0.945,549 8.5,550 0.128,551 6.444,552 5.403,553 4.072,554 2.86,555 1.406,556 0.972,557 0.586,558 0.262,559 14057,560 39278,561 2.123,562 41.7,563 2,564 21,567 1,569 1,572 1.782,573 1.944,574 3.077,575 -0.401,582 93.711,583 1.562,584 3.699,585 4.736,586 5.257,587 5.336,588 5.369,589 2.51,590 4.958,591 5.097,592 3.255,593 1936.44,594 9.037,595 27038.8,600 354.413,601 1.725,602 5.034,603 0.213,604 0.008,605 0.102,606 0.07,607 0.048,608 0.034,609 0.018,610 0.015,611 0.012,612 0.008,613 0.528,614 0.33,615 0.75,616 0.819,617 179.153,618 -0.027,619 -0.073,620 0.038,621 -0.015,622 -0.03,623 0.027,624 -0.074,625 0.214,626 0.089,627 0.24,628 -0.01,629 0.212,630 0.049,631 -0.07,632 -0.049,633 -0.089,634 -0.026,635 -0.07,636 -0.045,637 -0.162,638 -0.034,639 -0.131,640 -0.047,641 -0.092,642 -0.043,643 0.036,644 -0.049,645 0.014,646 -0.017,647 -0.045,648 0.032,649 -0.066,650 0.04,651 -0.026,652 0.039,653 -0.024,654 -0.04,655 -0.037,656 -0.114,657 -0.104,658 -0.078,659 -0.08,660 0.123,661 -0.005,662 0.122,663 0.061,664 0.073,665 0.056,666 2.468,667 7.683,668 0.771,669 30.256,670 1.007,671 1.113,672 3.338,673 11.141,674 0.697,675 3.714,676 4.159,677 4.625,678 5.069,679 5.416,680 5.677,681 5.943,682 6.174,683 6.326,684 6.425,685 5.589,686 0.668,687 489,688 3.714,689 5.333,690 6.282,691 7.262,692 8.246,693 9.243,694 10.242,695 11.249,696 12.257,697 13.27,698 3.3,701 1,705 1,715 10,720 8,722 18,727 1,739 2,740 1,741 60,743 20,744 3,745 40,747 65,748 28,749 18,750 8,751 10,752 1,756 6,757 8,758 1,764 1,766 1,767 1,768 2,770 1,772 20,773 8,774 2,777 2,782 2,786 2,793 25,794 6,795 1,796 7,797 1,802 2,808 0.333,809 4,825 1,828 3,829 3,832 2,843 1,855 1,859 2,864 3,865 1,868 35,876 2,877 1,878 2,880 1,881 1,882 2,892 1,893 6.7,896 2,898 2,901 18,902 11.926,903 7.576,904 3.483,907 2.487,908 1.283,909 0.992,910 5.051,911 11.282,912 3.951,913 4.59,914 5.232,915 5.852,916 6.418,917 6.742,918 7.174,919 7.591,920 7.929,921 8.271,922 0.833,923 77,924 13.134,926 6.091,927 0.026,929 7.76,931 24.884,933 22.012,936 2.26,937 79.111,941 282.506,942 168.89,943 21.135,944 39.149,945 72.29,948 168.89,949 393.945,950 21.135,951 30.162,952 22.651,953 94.762,954 60.128,955 54.611,957 282.506,958 39.149,959 282.506,960 190.025,961 72.29,962 39.149,964 270.735,965 84.061,968 25.775,969 164.25,970 39.149,972 282.506,973 93.425,974 208.038,977 282.506,978 43.965,979 128.049,980 18.011,981 111.438,982 282.506,983 93.425,984 208.038,986 0.599,987 0.392,988 0.238,989 0.14,990 36,991 16,992 0.046,993 3,994 2,995 1.222,996 4.037,997 407.445,998 0.148,999 29,1000 175.525,1005 22.597,1006 7.823,1007 2.746,1009 93.425,1010 19.049,1015 5.472,1017 18.011,1018 583.97,1019 51,1024 28.744,1028 -0.259,1031 60.44,1032 66.761,1034 0.264,1035 0.626,1036 0.802,1037 0.89,1038 0.903,1039 0.909,1040 5.276,1041 1.863,1042 6.354,1043 6.018,1044 4.844,1045 5.278,1046 2.788,1047 7.419,1048 4.787,1049 6.531,1050 1.814,1051 8.078,1052 5.697,1053 4.796,1054 5.263,1055 1.858,1056 9.126,1057 4.724,1058 7.91,1059 1.666,1060 9.935,1061 5.252,1062 6.708,1063 7.498,1064 3.542,1065 12.442,1066 6.629,1067 9.334,1068 1.442,1069 11.884,1070 4.798,1071 7.55,1072 8.273,1073 3.471,1074 15.094,1075 7.469,1076 10.803,1077 1.348,1078 13.9,1079 3.779,1080 9.043,1081 10.041,1082 4.683,1083 18.133,1084 8.956,1085 12.305,1086 1,1087 15.967,1088 3.4,1089 10.247,1090 11.169,1091 5.031,1092 21.046,1093 10.159,1094 13.834,1095 0.94,1096 18.072,1097 2.49,1098 11.649,1099 12.76,1100 6.01,1101 24.046,1102 11.555,1103 4.159,1104 0.683,1105 20.206,1106 2.136,1107 12.988,1108 14.057,1109 6.554,1110 27.022,1111 12.887,1112 3.245,1113 20.093,1114 22.36,1115 1.677,1116 14.384,1117 15.575,1118 7.416,1119 30.019,1120 14.276,1121 2.935,1122 12.963,1123 24.53,1124 4.47,1125 15.77,1126 16.957,1127 8.054,1128 33.012,1129 15.654,1130 2.617,1131 10.018,1132 26.711,1133 4.136,1134 17.175,1135 18.446,1136 8.856,1137 36.01,1138 17.05,1139 2.541,1140 8.653,1141 28.9,1142 3.741,1143 18.582,1144 19.872,1145 9.541,1146 39.008,1147 18.447,1148 2.188,1149 8.31,1150 31.095,1151 3.446,1152 19.995,1153 21.351,1154 10.312,1155 42.008,1156 19.851,1157 2.063,1158 7.269,1159 33.295,1160 3.257,1161 21.41,1162 22.801,1163 11.021,1164 45.007,1165 21.256,1166 13270,1167 22266,1168 26.353,1169 41.824,1170 63.243,1171 65.612,1172 68.798,1173 62.642,1174 62.579,1175 78.072,1176 12.861,1177 208.002,1178 60.433,1179 6.203,1180 6.593,1181 8.97,1182 6.199,1183 6.159,1184 7.47,1185 3.624,1186 30.232,1187 6.117,1188 18.465,1189 1.581,1190 1.64,1191 1.72,1192 1.566,1193 1.564,1194 1.952,1195 0.322,1196 5.2,1197 1.511,1198 4.168,1199 4.189,1200 4.152,1201 4.094,1202 7.432,1203 4.099,1204 3.939,1205 3.955,1206 3.968,1207 3.869,1208 7.423,1209 3.872,1210 3.885,1211 3.911,1212 3.832,1213 3.829,1214 4.95,1215 3.823,1216 3.662,1217 3.699,1218 3.691,1219 3.549,1220 4.905,1221 3.553,1222 3.404,1223 3.445,1224 3.431,1225 3.185,1226 4.75,1227 3.21,1228 3.303,1229 3.342,1230 3.264,1231 3.107,1232 4.495,1233 3.119,1234 3.25,1235 3.315,1236 3.062,1237 2.963,1238 4.448,1239 2.973,1240 3.113,1241 3.202,1242 3.016,1243 2.9,1244 4.292,1245 2.889,1246 0.131,1247 0.115,1248 0.229,1249 0.129,1250 0.104,1251 5.225,1252 0.112,1253 4.593,1254 0.052,1255 9.168,1256 0.502,1257 5.149,1258 0.103,1259 4.159,1260 4.47,1261 2.086,1262 20.093,1263 4.117,1264 1.943,1265 1.921,1266 2.056,1267 2.012,1268 1.378,1269 2.028,1270 1.883,1271 1.872,1272 1.961,1273 1.978,1274 1.174,1275 1.969,1276 1.88,1277 1.861,1278 1.948,1279 1.956,1280 1.13,1281 1.962,1282 1.634,1283 1.612,1284 1.747,1285 1.801,1286 0.959,1287 1.782,1288 1.51,1289 1.443,1290 1.742,1291 1.708,1292 0.912,1293 1.724,1294 1.234,1295 1.185,1296 1.575,1297 1.523,1298 0.604,1299 1.539,1300 1.193,1301 1.124,1302 1.567,1303 1.521,1304 0.575,1305 1.533,1306 1.125,1307 1.072,1308 1.397,1309 1.419,1310 0.54,1311 1.393,1312 4.394,1314 5.808,1315 3.434,1316 7.449,1317 6.075,1318 9.204,1319 8.42,1320 11.028,1322 5.064,1323 6.458,1328 0.933,1329 3.063,1330 11.066,1332 -0.221,1333 2.042,1334 -2.298,1340 40.051,1341 93.711,1342 221.917,1343 284.175,1344 315.394,1345 320.149,1346 322.149,1347 78.915,1348 8.795,1349 67.87,1350 67.87,1351 33,1352 13.722,1353 4.392,1354 3.585,1355 46.329,1356 108,1357 137,1358 0.204,1359 240.701,1360 429.43,1361 579.07,1362 71849,1363 1.7,1364 24.535,1365 0.701,1366 0.585,1367 25.035,1368 20.479,1369 16.877,1370 0.422,1371 0.298,1372 11.424,1373 15.98,1374 11.031,1375 9.063,1376 17.166,1377 11.933,1378 15.761,1379 0.25,1380 0.158,1381 16.169,1382 9.976,1383 15.007,1384 0.149,1385 0.083,1386 15.269,1387 8.383,1388 14.096,1389 0.089,1390 0.044,1391 14.306,1392 6.962,1393 12.319,1394 0.055,1395 0.024,1396 12.619,1397 5.382,1398 0.298,1399 108.871,1400 0.195,1401 30.389,1402 0.643,1403 206,1404 567.124,1405 236.063,1406 572.546,1407 781.94,1408 536,1409 267,1410 555.945,1411 293.91,1412 578.286,1413 870.1,1414 542,1415 4.951}
{0 CHEMBL1289506,1 1.629,2 8.75,3 5.086,4 25.869,5 138.519,6 8.724,7 0.439,8 4.22,9 4.309,10 3.927,11 3.836,12 5.341,13 3.818,14 4.796,15 4.929,16 4.401,17 4.313,18 5.852,19 4.287,20 5.078,21 5.199,22 4.646,23 4.571,24 6.196,25 4.53,26 5.335,27 5.485,28 4.76,29 4.718,30 6.467,31 4.668,32 5.485,33 5.653,34 4.835,35 4.778,36 6.715,37 4.717,38 5.459,39 5.645,40 4.836,41 4.787,42 6.633,43 4.693,44 5.401,45 5.591,46 4.703,47 4.647,48 6.591,49 4.546,50 5.169,51 5.37,52 4.447,53 4.385,54 6.304,55 4.286,56 0.076,57 0.788,58 9.235,59 5.43,60 9.705,61 6.386,62 0.375,63 1.38,64 21.531,65 9.78,66 36.721,67 11.47,68 0.48,69 1.793,70 29.757,71 13.495,72 52.331,73 15.926,74 0.586,75 2.304,76 41.894,77 17.489,78 76.38,79 20.7,80 1.279,81 2.578,82 54.424,83 20.095,84 163.763,85 23.099,86 0.94,87 2.486,88 56.703,89 21.514,90 126.927,91 26.37,92 1.126,93 2.233,94 64.854,95 20.628,96 137.743,97 24.602,98 0.946,99 1.777,100 46.904,101 16.255,102 104.466,103 19.667,104 54,105 65,106 0.261,107 0.606,108 0.773,109 0.859,110 0.875,111 0.881,112 3.618,113 0.909,114 -4.76,115 -4.67,116 -4.39,121 46.7,123 1,124 1,125 1,126 3,127 1,132 1,144 9,145 4,146 5,159 1,160 1,176 13,180 7,183 1,185 2,187 20,191 2,192 13,195 1,197 3,200 22,205 1,206 14,211 2,214 16,218 2,219 16,222 1,224 4,227 18,231 1,232 11,237 3,239 22,243 2,244 10,249 3,251 21,255 2,256 5,259 2,261 1,264 12,269 8,277 7,281 2376,282 24.323,283 24.323,284 24.323,285 24.323,286 24.323,287 21.912,288 30.908,289 13.442,290 25.014,291 20.005,292 20.005,293 20.005,294 20.005,295 20.005,296 16.16,297 38.026,298 6.069,299 20.999,300 4.277,301 2.119,302 1.08,303 0.538,304 0.438,305 0.404,306 4.326,308 2,312 1,313 693,314 3.808,317 203.142,318 268.271,321 243.636,325 1.236,326 48.887,329 0.75,330 0.67,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.75,337 77.667,338 315,339 5.226,340 4.594,341 9.168,342 5.149,343 4.16,344 4.473,345 2.086,346 20.096,347 4.117,348 4.523,349 3.856,350 7.516,351 4.243,352 3.25,353 4.136,354 1.277,355 13.002,356 3.224,357 4.301,358 3.325,359 6.553,360 3.948,361 2.98,362 3.869,363 0.942,364 10.206,365 2.885,366 4.095,367 3.183,368 6.274,369 3.696,370 2.747,371 3.613,372 0.86,373 9.161,374 2.591,375 3.879,376 3.056,377 6.071,378 3.502,379 2.554,380 3.257,381 0.86,382 8.388,383 2.411,384 3.564,385 2.949,386 5.893,387 3.198,388 2.253,389 2.834,390 0.357,391 7.603,392 2.118,393 3.329,394 2.598,395 5.371,396 2.992,397 2.071,398 2.548,399 0.047,400 6.048,401 1.901,402 3.225,403 2.547,404 5.218,405 2.866,406 1.89,407 2.415,409 5.757,410 1.827,411 3.107,412 2.405,413 5.147,414 2.798,415 1.841,416 2.196,418 5.565,419 1.717,420 3.015,421 2.2,422 4.931,423 2.68,424 1.692,425 2.143,427 5.023,428 1.61,429 2.86,430 2.143,431 4.722,432 2.416,433 1.445,434 2.007,436 4.063,437 1.401,438 2.77,439 1.735,440 4.45,441 2.347,442 1.414,443 1.846,445 3.647,446 1.27,447 2.65,448 1.525,449 4.102,450 2.293,451 1.344,452 1.614,454 3.029,455 1.23,456 2.281,457 1.314,458 3.93,459 1.94,460 0.946,461 1.214,463 2.542,464 0.937,465 1.985,466 1.078,467 3.591,468 1.652,469 0.691,470 0.846,472 1.705,473 0.652,474 17.562,475 0.488,476 1.142,477 0.032,478 46.25,479 1.285,480 22.5,481 0.625,482 23.75,483 0.66,484 39.525,485 1.098,486 37.638,487 0.627,488 42.673,489 1.185,490 9.012,491 0.25,492 8.276,493 0.23,494 0.205,495 0.057,496 0.364,501 0.68,502 1.162,503 0.552,504 0.9,505 0.543,506 0.831,507 0.906,508 0.859,509 0.597,510 0.649,511 0.613,512 0.661,513 0.811,514 1.115,515 0.828,516 1.004,517 0.915,518 0.965,519 0.979,520 1.204,521 0.861,522 1.071,523 1.177,524 1.032,525 1.19,526 0.99,527 0.918,528 0.934,529 1.485,530 0.98,531 0.832,532 1.035,533 0.904,534 0.994,535 1.02,536 0.997,537 1.102,538 0.987,539 1.27,540 1.126,541 1.227,542 1.077,543 1.062,544 0.944,545 1.001,546 0.944,547 0.948,548 0.958,549 9,550 0.128,551 6.889,552 5.715,553 4.263,554 3.051,555 1.65,556 1.045,557 0.712,558 0.318,559 14906,560 45493,561 2.103,562 40,563 2,564 20,567 1,569 1,572 1.789,573 1.912,574 3.079,575 -0.383,582 97.768,583 1.629,584 3.788,585 4.827,586 5.369,587 5.469,588 5.502,589 2.509,590 5.17,591 5.138,592 3.259,593 2053.4,594 9.122,595 29227,600 354.413,601 1.752,602 5.067,603 0.22,604 0.007,605 0.106,606 0.071,607 0.048,608 0.035,609 0.02,610 0.015,611 0.013,612 0.008,613 0.544,614 0.33,615 0.75,616 0.835,617 185.738,618 -0.033,619 -0.074,620 0.023,621 -0.016,622 -0.032,623 0.024,624 -0.078,625 0.222,626 0.084,627 0.255,628 -0.003,629 0.228,630 0.022,631 -0.068,632 -0.055,633 -0.08,634 -0.032,635 -0.068,636 -0.078,637 -0.165,638 -0.077,639 -0.144,640 -0.074,641 -0.114,642 -0.059,643 0.033,644 -0.062,645 0.005,646 -0.056,647 -0.054,648 0.05,649 -0.062,650 0.062,651 -0.005,652 0.065,654 -0.009,655 -0.039,656 -0.078,657 -0.102,658 -0.032,659 -0.07,660 0.061,661 -0.002,662 0.054,663 0.064,664 0.025,665 0.052,666 2.534,667 7.752,668 0.75,669 31.056,670 1.013,671 1.112,672 3.531,673 12.465,674 0.711,675 3.738,676 4.19,677 4.654,678 5.094,679 5.442,680 5.71,681 5.979,682 6.211,683 6.368,684 6.477,685 5.643,686 0.681,687 523.44,688 3.738,689 5.361,690 6.312,691 7.292,692 8.276,693 9.274,694 10.273,695 11.28,696 12.287,697 13.3,698 3.3,701 1,705 1,715 9,720 9,722 18,727 1,739 2,740 2,741 60,743 20,744 3,745 41,747 65,748 28,749 18,750 9,751 9,752 1,756 6,757 8,758 2,764 1,766 1,767 1,768 2,770 1,772 20,773 8,774 2,777 2,782 2,786 2,793 24,794 6,795 1,796 8,797 2,802 2,808 0.333,809 4,825 1,828 3,829 3,832 2,843 1,855 1,859 2,864 3,865 2,868 36,876 2,877 1,878 2,880 1,881 1,882 2,892 2,893 6.7,896 2,898 2,901 18.833,902 11.986,903 7.771,904 3.47,907 2.504,908 1.283,909 0.99,910 5.435,911 11.353,912 3.97,913 4.62,914 5.264,915 5.879,916 6.444,917 6.775,918 7.199,919 7.619,920 7.964,921 8.316,922 0.833,923 80,924 13.514,926 6.298,927 0.026,929 7.802,931 25.445,933 22.494,936 2.302,937 82.889,941 270.735,942 162.914,943 21.135,944 78.297,945 72.29,948 162.914,949 421.322,950 21.135,951 30.162,952 22.651,953 85.286,954 60.128,955 58.111,957 270.735,958 78.297,959 270.735,960 184.049,961 72.29,962 78.297,964 258.964,965 84.061,968 25.775,969 158.274,970 78.297,972 270.735,973 93.425,974 241.211,977 270.735,978 47.465,979 118.573,980 18.011,981 150.587,982 270.735,983 93.425,984 241.211,986 0.602,987 0.395,988 0.237,989 0.138,990 37,991 17,992 0.046,993 3,994 2,995 1.222,996 4.063,997 424.945,998 0.148,999 29,1000 186.117,1005 23.805,1006 8.219,1007 2.922,1009 93.425,1010 16.483,1015 5.621,1017 18.011,1018 605.372,1019 52,1024 28.864,1028 -0.354,1031 60.763,1032 66.705,1034 0.276,1035 0.641,1036 0.817,1037 0.909,1038 0.926,1039 0.932,1040 5.301,1041 1.89,1042 6.389,1043 6.048,1044 4.875,1045 5.308,1046 2.788,1047 7.453,1048 4.801,1049 6.562,1050 1.841,1051 8.114,1052 5.757,1053 4.844,1054 5.33,1055 1.858,1056 9.149,1057 4.745,1058 7.946,1059 1.692,1060 9.97,1061 5.565,1062 6.742,1063 7.542,1064 3.542,1065 12.461,1066 6.641,1067 9.373,1068 1.445,1069 11.916,1070 5.023,1071 7.586,1072 8.344,1073 3.471,1074 15.104,1075 7.482,1076 10.843,1077 1.414,1078 13.928,1079 4.063,1080 9.071,1081 10.097,1082 4.683,1083 18.141,1084 8.966,1085 12.345,1086 1.344,1087 15.99,1088 3.647,1089 10.273,1090 11.241,1091 5.031,1092 21.05,1093 10.167,1094 13.873,1095 0.946,1096 18.091,1097 3.029,1098 11.67,1099 12.823,1100 6.01,1101 24.049,1102 11.561,1103 4.16,1104 0.691,1105 20.22,1106 2.542,1107 13.005,1108 14.127,1109 6.554,1110 27.025,1111 12.893,1112 3.25,1113 20.096,1114 22.371,1115 1.705,1116 14.397,1117 15.639,1118 7.416,1119 30.021,1120 14.28,1121 2.98,1122 13.002,1123 24.539,1124 4.473,1125 15.782,1126 17.023,1127 8.054,1128 33.014,1129 15.658,1130 2.747,1131 10.206,1132 26.718,1133 4.136,1134 17.185,1135 18.507,1136 8.856,1137 36.013,1138 17.054,1139 2.554,1140 9.161,1141 28.905,1142 3.869,1143 18.59,1144 19.932,1145 9.541,1146 39.01,1147 18.45,1148 2.253,1149 8.388,1150 31.1,1151 3.613,1152 20.002,1153 21.406,1154 10.312,1155 42.01,1156 19.853,1157 2.071,1158 7.603,1159 33.299,1160 3.257,1161 21.416,1162 22.854,1163 11.021,1164 45.01,1165 21.258,1166 14132,1167 24755,1168 26.759,1169 42.682,1170 64.859,1171 67.579,1172 71.394,1173 64.382,1174 64.159,1175 79.832,1176 12.861,1177 214.614,1178 61.204,1179 6.205,1180 6.594,1181 8.853,1182 6.2,1183 6.16,1184 7.473,1185 3.624,1186 30.242,1187 6.117,1188 20.315,1189 1.582,1190 1.648,1191 1.741,1192 1.57,1193 1.565,1194 1.947,1195 0.314,1196 5.234,1197 1.493,1198 4.169,1199 4.189,1200 4.165,1201 4.095,1202 7.432,1203 4.101,1204 3.939,1205 3.955,1206 3.998,1207 3.87,1208 7.423,1209 3.873,1210 3.891,1211 3.911,1212 3.942,1213 3.843,1214 4.963,1215 3.836,1216 3.663,1217 3.699,1218 3.72,1219 3.551,1220 4.917,1221 3.555,1222 3.404,1223 3.445,1224 3.44,1225 3.185,1226 4.901,1227 3.21,1228 3.303,1229 3.342,1230 3.298,1231 3.107,1232 4.495,1233 3.119,1234 3.25,1235 3.315,1236 3.259,1237 2.963,1238 4.458,1239 2.973,1240 3.113,1241 3.202,1242 3.062,1243 2.903,1244 4.342,1245 2.89,1246 0.127,1247 0.112,1248 0.224,1249 0.126,1250 0.101,1251 5.226,1252 0.109,1253 4.594,1254 0.051,1255 9.168,1256 0.49,1257 5.149,1258 0.1,1259 4.16,1260 4.473,1261 2.086,1262 20.096,1263 4.117,1264 1.939,1265 1.922,1266 2.026,1267 1.999,1268 1.379,1269 2.014,1270 1.882,1271 1.872,1272 1.959,1273 1.978,1274 1.175,1275 1.969,1276 1.88,1277 1.862,1278 1.948,1279 1.954,1280 1.13,1281 1.961,1282 1.634,1283 1.612,1284 1.743,1285 1.801,1286 0.957,1287 1.782,1288 1.509,1289 1.443,1290 1.742,1291 1.705,1292 0.911,1293 1.721,1294 1.234,1295 1.185,1296 1.575,1297 1.523,1298 0.604,1299 1.539,1300 1.193,1301 1.124,1302 1.567,1303 1.521,1304 0.575,1305 1.533,1306 1.125,1307 1.072,1308 1.397,1309 1.419,1310 0.54,1311 1.393,1312 4.419,1314 5.838,1315 3.434,1316 7.482,1317 6.075,1318 9.238,1319 8.42,1320 11.061,1322 5.002,1323 13.196,1328 0.79,1329 3.044,1330 11.062,1332 -0.358,1333 1.997,1334 -2.458,1340 40.879,1341 97.768,1342 227.297,1343 289.619,1344 322.149,1345 328.149,1346 330.149,1347 85.961,1348 8.849,1349 67.87,1350 67.87,1351 33,1352 13.753,1353 4.392,1354 3.585,1355 48.248,1356 112,1357 143,1358 0.204,1359 249.034,1360 444.64,1361 599.402,1362 76190,1363 3.3,1364 25.405,1365 0.706,1366 0.598,1367 26.405,1368 21.536,1369 17.288,1370 0.422,1371 0.303,1372 11.56,1373 16.098,1374 11.133,1375 9.12,1376 17.865,1377 12.417,1378 16.289,1379 0.251,1380 0.161,1381 17.068,1382 10.494,1383 15.482,1384 0.149,1385 0.085,1386 16.103,1387 8.806,1388 14.446,1389 0.089,1390 0.045,1391 14.957,1392 7.276,1393 12.564,1394 0.055,1395 0.024,1396 13.121,1397 5.61,1398 0.298,1399 114.51,1400 0.193,1401 31.045,1402 0.645,1403 212,1404 601.327,1405 257.582,1406 634.509,1407 853.89,1408 592,1409 275,1410 583.807,1411 313.621,1412 615.676,1413 926.72,1414 577,1415 5.18}
{0 CHEMBL1289507,1 1.681,2 9.316,3 3.857,4 14.879,5 136.451,6 8.348,7 0.419,8 4.266,9 4.357,10 3.926,11 3.815,12 5.479,13 3.825,14 4.833,15 4.964,16 4.378,17 4.286,18 6.061,19 4.292,20 5.113,21 5.238,22 4.605,23 4.54,24 6.325,25 4.533,26 5.38,27 5.537,28 4.712,29 4.695,30 6.577,31 4.671,32 5.508,33 5.684,34 4.723,35 4.744,36 6.744,37 4.706,38 5.499,39 5.692,40 4.705,41 4.735,42 6.69,43 4.682,44 5.48,45 5.673,46 4.66,47 4.605,48 6.807,49 4.578,50 5.34,51 5.531,52 4.487,53 4.364,54 6.799,55 4.355,56 0.23,57 0.949,58 10.077,59 5.79,60 13.151,61 6.453,62 0.615,63 1.602,64 21.852,65 10.086,66 75.299,67 11.428,68 0.699,69 2.142,70 27.487,71 13.761,72 73.541,73 15.454,74 0.97,75 2.595,76 40.224,77 17.656,78 125.693,79 20.552,80 1.529,81 2.774,82 50.2,83 19.693,84 205.803,85 23.305,86 1.314,87 2.833,88 50.359,89 20.371,90 147.097,91 25.655,92 1.6,93 2.75,94 51.791,95 19.012,96 217.11,97 22.846,98 1.921,99 2.308,100 48.571,101 16.406,102 297.683,103 18.726,104 74,105 68,106 0.266,107 0.618,108 0.771,109 0.839,110 0.849,111 0.854,112 3.67,113 0.841,114 -4.32,115 -4.26,116 -4.02,121 45.2,123 1,124 1,125 1,126 3,127 1,132 1,144 9,145 4,146 5,159 1,160 1,168 2,176 13,179 1,180 9,183 1,185 2,187 17,191 2,192 19,195 1,197 3,200 18,205 1,206 19,211 2,214 14,218 3,219 16,222 2,224 3,227 18,231 4,232 13,235 2,237 4,239 19,243 5,244 14,249 2,251 13,255 4,256 16,259 2,264 6,269 16,277 2,281 2820,282 25.478,283 25.478,284 25.478,285 25.478,286 25.478,287 22.843,288 35.631,289 14.01,290 26.041,291 20.972,292 20.972,293 20.972,294 20.972,295 20.972,296 16.748,297 44.262,298 6.33,299 21.67,300 4.273,301 2.05,302 1.077,303 0.649,304 0.585,305 0.553,306 4.376,312 1,313 771,314 4.183,317 223.207,318 289.95,321 265.71,325 1.366,326 69.069,329 0.75,330 0.5,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.73,337 85,338 354,339 5.225,340 4.593,341 9.168,342 5.149,343 4.159,344 4.479,345 2.612,346 20.093,347 4.117,348 4.529,349 3.857,350 7.51,351 4.243,352 3.249,353 4.161,354 2.086,355 12.966,356 3.229,357 4.293,358 3.774,359 6.493,360 3.92,361 2.946,362 3.893,363 1.277,364 10.023,365 2.878,366 4.138,367 3.243,368 6.148,369 3.7,370 2.725,371 3.668,372 0.942,373 8.684,374 2.656,375 3.995,376 3.123,377 6.099,378 3.614,379 2.647,380 3.473,381 0.86,382 8.644,383 2.546,384 3.756,385 2.964,386 5.838,387 3.364,388 2.406,389 3.123,390 0.86,391 7.673,392 2.297,393 3.558,394 2.818,395 5.768,396 3.182,397 2.228,398 2.844,399 0.357,400 7.221,401 2.12,402 3.333,403 2.618,404 5.313,405 3,406 2.036,407 2.554,408 0.047,409 6.043,410 1.954,411 3.217,412 2.557,413 5.186,414 2.84,415 1.855,416 2.383,418 5.685,419 1.827,420 3.113,421 2.253,422 5.078,423 2.83,424 1.832,425 2.214,427 5.428,428 1.801,429 2.896,430 2.183,431 4.857,432 2.537,433 1.571,434 1.978,436 4.708,437 1.512,438 2.831,439 1.909,440 4.481,441 2.321,442 1.379,443 1.907,445 3.73,446 1.279,447 2.668,448 1.841,449 4.383,450 2.216,451 1.217,452 1.63,454 2.925,455 1.215,456 2.5,457 1.334,458 4.023,459 2.007,460 1.018,461 1.5,463 2.893,464 1.001,465 2.318,466 1.198,467 3.804,468 2,469 1,470 1.261,472 2.275,473 1,474 17.486,475 0.46,476 1.248,477 0.033,478 50.75,479 1.336,480 25.5,481 0.671,482 25.25,483 0.664,484 37.978,485 0.999,486 40.714,487 0.657,488 50.632,489 1.332,490 10.082,491 0.265,492 8.1,493 0.213,494 0.178,495 0.057,496 0.389,499 1,501 0.555,502 1.047,503 0.639,504 1.003,505 0.498,506 0.884,507 0.756,508 0.863,509 0.688,510 0.767,511 0.49,512 0.716,513 0.751,514 1.076,515 0.847,516 1.088,517 0.733,518 1.016,519 0.858,520 1.03,521 0.96,522 1.117,523 0.894,524 1.079,525 0.9,526 0.824,527 1.034,528 0.978,529 0.91,530 1.032,531 0.665,532 0.947,533 0.899,534 1.057,535 0.768,536 1.055,537 0.979,538 0.977,539 0.996,540 1.054,541 1.055,542 1.034,543 1.263,544 1.022,545 1.05,546 0.935,547 1.317,548 0.939,549 10,550 0.312,551 7.333,552 5.59,553 4.343,554 3.085,555 1.851,556 1.298,557 0.912,558 0.371,559 17400,560 57623,561 2.081,562 38.7,563 2,564 20,567 1,569 1,572 1.801,573 1.884,574 3.181,575 -0.348,582 104.25,583 1.681,584 3.904,585 4.877,586 5.305,587 5.369,588 5.402,589 2.636,590 4.86,591 5.213,592 3.383,593 2378.31,594 9.271,595 35267.8,600 369.16,601 1.758,602 5.141,603 0.233,604 0.011,605 0.108,606 0.067,607 0.048,608 0.035,609 0.021,610 0.016,611 0.014,612 0.008,613 0.561,614 0.17,615 0.75,616 0.901,617 200.448,618 0.056,619 -0.009,620 0.056,621 0.014,622 -0.008,623 0.025,624 -0.016,625 0.131,626 0.118,627 0.235,628 0.092,629 0.224,630 -0.01,631 -0.038,632 -0.052,633 -0.074,634 -0.014,635 -0.075,636 -0.086,637 -0.099,638 -0.09,639 -0.123,640 -0.07,641 -0.11,642 -0.063,643 0.019,644 -0.104,645 -0.004,646 -0.048,647 -0.053,648 0.064,649 -0.065,650 0.038,651 -0.064,652 0.003,653 -0.035,654 0.004,655 -0.039,656 0.009,657 -0.08,658 -0.02,659 -0.043,660 0.012,661 -0.054,662 0.039,663 0.04,664 0.007,665 0.041,666 2.802,667 7.709,668 0.711,669 36.717,670 1.024,671 1.124,672 3.092,673 9.56,674 0.678,675 3.784,676 4.234,677 4.682,678 5.106,679 5.46,680 5.743,681 6.023,682 6.261,683 6.444,684 6.567,685 6.035,686 0.67,687 517.55,688 3.784,689 5.407,690 6.351,691 7.326,692 8.304,693 9.297,694 10.292,695 11.296,696 12.301,697 13.311,698 4.8,701 1,705 1,709 1,715 9,720 9,722 18,727 1,735 1,739 2,740 1,741 62,743 22,744 3,745 43,747 67,748 28,749 18,750 9,751 9,752 1,756 6,757 8,764 1,766 1,767 1,768 2,770 1,772 20,773 8,774 2,777 4,779 1,782 4,786 2,791 1,793 24,794 9,795 1,796 10,802 3,808 0.333,809 6,825 1,828 3,829 3,832 2,843 1,855 1,859 2,864 3,866 1,868 38,876 2,877 1,878 2,880 1,881 1,882 2,892 1,893 9.7,896 2,898 2,899 2,901 20.167,902 12.376,903 8.188,904 3.544,907 2.613,908 1.29,909 0.979,910 5.48,911 11.609,912 4.043,913 4.696,914 5.317,915 5.921,916 6.501,917 6.878,918 7.321,919 7.721,920 8.084,921 8.436,922 1,923 83,924 14.354,926 6.826,927 0.026,929 8.096,931 26.275,933 23.082,936 2.596,937 98.667,941 270.735,942 167.791,943 26.805,945 123.037,946 14.96,948 167.791,949 393.772,950 41.765,951 35.833,952 22.651,953 85.286,954 60.128,955 62.988,956 14.96,957 270.735,958 50.747,959 270.735,960 194.596,961 137.997,964 273.924,965 84.061,966 50.747,968 25.775,969 163.151,970 5.67,972 285.695,973 149.842,974 167.791,977 270.735,978 52.342,979 124.243,980 18.011,981 137.997,982 270.735,983 164.802,984 167.791,986 0.604,987 0.389,988 0.225,989 0.131,990 38,991 18,992 0.06,993 4,994 2,995 1.222,996 4.206,997 452.098,998 0.148,999 29,1000 191.421,1005 24.686,1006 8.435,1007 3.075,1009 159.132,1010 13.524,1015 2.802,1017 18.011,1018 603.328,1019 56,1021 -0.517,1024 52.283,1028 -0.707,1031 63.502,1032 69.658,1034 0.282,1035 0.656,1036 0.819,1037 0.891,1038 0.902,1039 0.907,1040 5.368,1041 2.036,1042 6.428,1043 7.221,1044 4.92,1045 5.384,1046 3.312,1047 7.48,1048 4.871,1049 6.633,1050 1.855,1051 8.148,1052 6.043,1053 4.89,1054 5.44,1055 2.773,1056 9.159,1057 4.83,1058 8.016,1059 1.832,1060 9.996,1061 5.685,1062 6.777,1063 7.627,1064 4.577,1065 12.464,1066 6.701,1067 9.441,1068 1.571,1069 11.934,1070 5.428,1071 7.611,1072 8.448,1073 4.802,1074 15.102,1075 7.533,1076 10.906,1077 1.379,1078 13.94,1079 4.708,1080 9.089,1081 10.181,1082 6.195,1083 18.137,1084 9.003,1085 12.402,1086 1.217,1087 15.997,1088 3.73,1089 10.283,1090 11.332,1091 6.752,1092 21.048,1093 10.194,1094 13.924,1095 1.018,1096 18.094,1097 2.925,1098 11.676,1099 12.901,1100 7.949,1101 24.047,1102 11.58,1103 4.159,1104 1,1105 20.221,1106 2.893,1107 13.006,1108 14.206,1109 8.676,1110 27.023,1111 12.905,1112 3.249,1113 20.093,1114 22.37,1115 2.275,1116 14.397,1117 15.71,1118 9.77,1119 30.019,1120 14.289,1121 2.946,1122 12.966,1123 24.537,1124 4.479,1125 15.78,1126 17.092,1127 10.591,1128 33.012,1129 15.664,1130 2.725,1131 10.023,1132 26.715,1133 4.161,1134 17.182,1135 18.571,1136 11.628,1137 36.011,1138 17.058,1139 2.647,1140 8.684,1141 28.903,1142 3.893,1143 18.587,1144 19.994,1145 12.505,1146 39.008,1147 18.453,1148 2.406,1149 8.644,1150 31.097,1151 3.668,1152 19.998,1153 21.465,1154 13.509,1155 42.008,1156 19.855,1157 2.228,1158 7.673,1159 33.297,1160 3.473,1161 21.413,1162 22.911,1163 14.42,1164 45.007,1165 21.26,1166 16601,1167 30292,1168 27.857,1169 42.057,1170 68.019,1171 71.38,1172 74.594,1173 67.423,1174 67.48,1175 85.581,1176 18.086,1177 224.307,1178 65.579,1179 6.204,1180 6.593,1181 8.709,1182 6.199,1183 6.159,1184 7.479,1185 4.612,1186 30.232,1187 6.117,1188 22.916,1189 1.582,1190 1.66,1191 1.735,1192 1.568,1193 1.569,1194 1.99,1195 0.421,1196 5.216,1197 1.525,1198 4.177,1199 4.199,1200 4.143,1201 4.095,1202 8.201,1203 4.103,1204 3.975,1205 3.994,1206 3.943,1207 3.875,1208 7.815,1209 3.885,1210 3.898,1211 3.92,1212 3.85,1213 3.829,1214 7.432,1215 3.829,1216 3.739,1217 3.769,1218 3.707,1219 3.559,1220 7.423,1221 3.578,1222 3.519,1223 3.55,1224 3.476,1225 3.209,1226 6.999,1227 3.266,1228 3.39,1229 3.442,1230 3.282,1231 3.143,1232 4.918,1233 3.17,1234 3.25,1235 3.315,1236 3.12,1237 2.963,1238 4.724,1239 2.973,1240 3.175,1241 3.206,1242 3.062,1243 2.915,1244 4.626,1245 2.944,1246 0.122,1247 0.107,1248 0.213,1249 0.12,1250 0.097,1251 5.225,1252 0.104,1253 4.593,1254 0.061,1255 9.168,1256 0.467,1257 5.149,1258 0.096,1259 4.159,1260 4.479,1261 2.612,1262 20.093,1263 4.117,1264 1.945,1265 1.926,1266 2.038,1267 2.077,1268 1.379,1269 2.041,1270 1.903,1271 1.879,1272 1.988,1273 2.009,1274 1.179,1275 2.013,1276 1.88,1277 1.872,1278 1.954,1279 1.978,1280 1.132,1281 1.968,1282 1.64,1283 1.619,1284 1.749,1285 1.825,1286 0.962,1287 1.797,1288 1.507,1289 1.442,1290 1.731,1291 1.709,1292 0.906,1293 1.718,1294 1.236,1295 1.197,1296 1.575,1297 1.662,1298 0.603,1299 1.56,1300 1.23,1301 1.185,1302 1.567,1303 1.523,1304 0.575,1305 1.538,1306 1.191,1307 1.118,1308 1.392,1309 1.521,1310 0.537,1311 1.533,1312 4.466,1314 5.883,1315 3.434,1316 7.52,1317 6.075,1318 9.267,1319 8.42,1320 11.082,1322 4.727,1324 13.918,1328 0.457,1329 2.887,1330 10.947,1332 -0.527,1333 1.81,1334 -2.937,1340 41.531,1341 104.25,1342 242.044,1343 302.366,1344 328.896,1345 332.896,1346 334.896,1347 109.007,1348 8.996,1349 113.69,1350 113.69,1351 33,1352 13.765,1353 4.524,1354 3.807,1355 52.297,1356 126,1357 168,1358 0.196,1359 245.425,1360 446.23,1361 590.598,1362 91334,1363 1.6,1364 26.982,1365 0.71,1366 0.55,1367 26.112,1368 20.91,1369 18.182,1370 0.423,1371 0.28,1372 11.825,1373 17.226,1374 11.509,1375 9.438,1376 17.788,1377 12.055,1378 17.282,1379 0.254,1380 0.147,1381 16.66,1382 9.978,1383 16.138,1384 0.151,1385 0.079,1386 15.728,1387 8.451,1388 14.675,1389 0.089,1390 0.042,1391 14.523,1392 6.929,1393 12.783,1394 0.055,1395 0.023,1396 12.55,1397 5.304,1398 0.288,1399 116.287,1400 0.189,1401 32.626,1402 0.61,1403 222,1404 758.147,1405 246.551,1406 690.693,1407 924.51,1408 640,1409 286,1410 673.78,1411 311.881,1412 672.296,1413 1002.1,1414 628,1415 5.066}
{0 CHEMBL1289615,1 1.584,2 9.243,3 3.652,4 13.336,5 136.234,6 8.057,7 0.429,8 4.258,9 4.352,10 3.896,11 3.816,12 5.436,13 3.816,14 4.825,15 4.96,16 4.339,17 4.288,18 5.998,19 4.282,20 5.101,21 5.23,22 4.572,23 4.542,24 6.249,25 4.523,26 5.373,27 5.532,28 4.696,29 4.696,30 6.542,31 4.666,32 5.506,33 5.683,34 4.709,35 4.745,36 6.734,37 4.702,38 5.493,39 5.689,40 4.677,41 4.736,42 6.661,43 4.673,44 5.467,45 5.665,46 4.596,47 4.608,48 6.747,49 4.561,50 5.32,51 5.519,52 4.371,53 4.369,54 6.66,55 4.324,56 0.179,57 0.878,58 10.898,59 5.755,60 11.606,61 6.739,62 0.508,63 1.488,64 22.731,65 10.032,66 68.583,67 11.898,68 0.503,69 1.963,70 28.661,71 13.664,72 55.825,73 16.306,74 0.708,75 2.482,76 41.477,77 17.593,78 99.864,79 21.274,80 1.311,81 2.748,82 51.531,83 19.678,84 184.97,85 23.704,86 1.071,87 2.735,88 51.129,89 20.319,90 124.868,91 26.228,92 1.258,93 2.554,94 52,95 18.93,96 185.671,97 23.708,98 1.529,99 2.062,100 48.05,101 16.282,102 235.441,103 19.758,104 59,105 66,106 0.251,107 0.594,108 0.752,109 0.832,110 0.849,111 0.854,112 3.644,113 0.854,114 -4.22,115 -4.16,116 -3.93,121 45.2,123 1,124 1,125 1,126 3,127 1,132 1,144 10,145 4,146 4,159 1,160 1,168 2,176 15,179 1,180 9,183 1,185 2,187 19,191 2,192 19,195 1,197 3,200 19,205 1,206 19,211 2,214 15,218 3,219 16,222 2,224 3,227 19,231 4,232 14,235 2,237 4,239 20,243 5,244 15,249 2,251 16,255 4,256 17,259 2,261 1,264 9,269 16,277 3,281 2580,282 25.03,283 25.03,284 25.03,285 25.03,286 25.03,287 22.42,288 34.004,289 13.924,290 25.531,291 20.506,292 20.506,293 20.506,294 20.506,295 20.506,296 16.343,297 43.6,298 6.294,299 21.078,300 4.37,301 2.202,302 1.197,303 0.694,304 0.585,305 0.553,306 4.352,312 1,313 748,314 4.123,317 213.516,318 278.809,321 254.971,325 1.316,326 57.489,329 1,330 0.5,331 1,332 0.8,333 0.5,334 1,335 1,336 0.83,337 81.5,338 342,339 5.225,340 4.593,341 9.168,342 5.149,343 4.159,344 4.478,345 2.612,346 20.093,347 4.117,348 4.529,349 3.857,350 7.51,351 4.243,352 3.248,353 4.161,354 2.086,355 12.966,356 3.229,357 4.291,358 3.774,359 6.493,360 3.917,361 2.943,362 3.89,363 1.277,364 10.021,365 2.874,366 4.125,367 3.241,368 6.147,369 3.693,370 2.719,371 3.595,372 0.942,373 8.674,374 2.648,375 3.937,376 3.116,377 6.098,378 3.59,379 2.617,380 3.406,381 0.86,382 8.642,383 2.529,384 3.728,385 2.914,386 5.835,387 3.325,388 2.36,389 3.104,390 0.86,391 7.657,392 2.273,393 3.426,394 2.653,395 5.767,396 3.074,397 2.099,398 2.659,399 0.357,400 7.193,401 2.044,402 3.236,403 2.558,404 5.31,405 2.877,406 1.88,407 2.422,408 0.047,409 5.699,410 1.867,411 3.127,412 2.271,413 5.183,414 2.832,415 1.853,416 2.231,418 5.479,419 1.802,420 3.005,421 2.185,422 4.929,423 2.682,424 1.692,425 2.143,427 4.867,428 1.669,429 2.895,430 1.927,431 4.526,432 2.416,433 1.443,434 1.978,436 3.78,437 1.401,438 2.78,439 1.909,440 4.427,441 2.3,442 1.348,443 1.857,445 3.403,446 1.263,447 2.653,448 1.553,449 4.037,450 2.215,451 1.216,452 1.615,454 2.893,455 1.214,456 2.5,457 1.314,458 3.804,459 2,460 1,461 1.5,463 2.484,464 1,465 2.258,466 1.078,467 3.544,468 1.927,469 0.93,470 1.184,472 2.136,473 0.924,474 17.2,475 0.465,476 1.142,477 0.031,478 50,479 1.351,480 25.5,481 0.689,482 24.5,483 0.662,484 36.376,485 0.983,486 39.2,487 0.632,488 48.499,489 1.311,490 9.878,491 0.267,492 7.91,493 0.214,494 0.165,495 0.058,496 0.366,501 0.567,502 1.138,503 0.673,504 1.004,505 0.499,506 0.89,507 0.799,508 0.889,509 0.726,510 0.766,511 0.49,512 0.729,513 0.697,514 1.136,515 0.827,516 1.09,517 0.689,518 1.008,519 0.921,520 1.178,521 0.95,522 1.123,523 0.986,524 1.057,525 1.075,526 0.975,527 1.069,528 0.983,529 1.117,530 1.016,531 0.711,532 1.063,533 0.915,534 1.061,535 0.847,536 1.044,537 1.007,538 1.016,539 1.008,540 1.054,541 1.078,542 1.032,543 1.274,544 0.915,545 1.077,546 0.93,547 1.368,548 0.962,549 9,550 0.226,551 6.889,552 5.528,553 4.152,554 3.016,555 1.747,556 1.117,557 0.747,558 0.302,559 16191,560 48682,561 2.1,562 40.3,563 2,564 21,567 1,569 1,572 1.795,573 1.914,574 3.158,575 -0.365,582 98.193,583 1.584,584 3.753,585 4.757,586 5.26,587 5.369,588 5.402,589 2.624,590 4.939,591 5.176,592 3.339,593 2223.7,594 9.196,595 32279,600 369.16,601 1.74,602 5.109,603 0.214,604 0.009,605 0.104,606 0.068,607 0.047,608 0.034,609 0.021,610 0.015,611 0.013,612 0.007,613 0.533,614 0.33,615 0.75,616 0.889,617 193.213,618 0.083,619 -0.005,620 0.065,621 0.014,622 -0.004,623 0.026,624 -0.004,625 0.194,626 0.111,627 0.239,628 0.098,629 0.211,630 0.037,631 -0.065,632 -0.009,633 -0.077,634 0.008,635 -0.059,636 -0.074,637 -0.147,638 -0.056,639 -0.126,640 -0.061,641 -0.094,642 -0.073,643 0.033,644 -0.111,645 -0.004,646 -0.055,647 -0.054,648 0.085,649 -0.069,650 0.035,651 -0.063,652 0.019,653 -0.037,654 0.018,655 -0.041,656 -0.001,657 -0.079,658 0.025,659 -0.048,660 0.016,661 -0.003,662 0.001,663 0.045,664 -0.012,665 0.02,666 2.703,667 7.716,668 0.73,669 34.302,670 1.016,671 1.118,672 2.994,673 8.963,674 0.679,675 3.761,676 4.205,677 4.663,678 5.094,679 5.442,680 5.724,681 6.004,682 6.23,683 6.402,684 6.521,685 5.868,686 0.664,687 499.56,688 3.761,689 5.38,690 6.326,691 7.302,692 8.283,693 9.277,694 10.274,695 11.279,696 12.286,697 13.297,698 4.8,701 1,705 1,709 1,715 10,720 8,722 18,727 1,735 1,739 2,741 62,743 22,744 3,745 42,747 67,748 28,749 18,750 8,751 10,752 1,756 6,757 8,764 1,766 1,767 1,768 2,770 1,772 20,773 8,774 2,777 4,779 1,782 4,786 2,793 25,794 8,795 1,796 9,802 3,808 0.333,809 6,825 1,828 3,829 3,832 2,843 1,855 1,859 2,864 3,868 37,876 2,877 1,878 2,880 1,881 1,882 2,893 9.7,896 2,898 2,899 2,901 19.333,902 12.317,903 8.021,904 3.564,907 2.616,908 1.292,909 0.979,910 5.288,911 11.562,912 4.025,913 4.668,914 5.295,915 5.902,916 6.475,917 6.848,918 7.303,919 7.694,920 8.048,921 8.396,922 1,923 81,924 13.929,926 6.544,927 0.026,929 7.959,931 25.854,933 22.712,936 2.459,937 91,941 282.506,942 168.146,943 26.805,945 123.037,948 168.146,949 405.543,950 26.805,951 35.833,952 22.651,953 94.762,954 60.128,955 53.867,957 282.506,958 50.747,959 282.506,960 194.951,961 123.037,964 270.735,965 84.061,966 50.747,968 25.775,969 163.506,970 5.67,972 282.506,973 149.842,974 168.146,977 282.506,978 43.221,979 133.719,980 18.011,981 123.037,982 282.506,983 149.842,984 168.146,986 0.6,987 0.39,988 0.23,989 0.133,990 37,991 17,992 0.06,993 4,994 2,995 1.222,996 4.15,997 437.258,998 0.148,999 29,1000 186.75,1005 23.805,1006 8.219,1007 2.919,1009 144.172,1010 17.529,1015 3.877,1017 18.011,1018 600.494,1019 55,1021 -0.478,1024 52.303,1028 -0.542,1031 62.989,1032 69.319,1034 0.266,1035 0.63,1036 0.799,1037 0.883,1038 0.902,1039 0.907,1040 5.345,1041 1.88,1042 6.399,1043 7.193,1044 4.89,1045 5.357,1046 3.312,1047 7.456,1048 4.849,1049 6.604,1050 1.853,1051 8.12,1052 5.699,1053 4.844,1054 5.38,1055 2.773,1056 9.148,1057 4.796,1058 7.984,1059 1.692,1060 9.973,1061 5.479,1062 6.749,1063 7.591,1064 4.577,1065 12.457,1066 6.682,1067 9.409,1068 1.443,1069 11.917,1070 4.867,1071 7.586,1072 8.4,1073 4.802,1074 15.1,1075 7.517,1076 10.876,1077 1.348,1078 13.927,1079 3.78,1080 9.073,1081 10.146,1082 6.195,1083 18.137,1084 8.993,1085 12.374,1086 1.216,1087 15.988,1088 3.403,1089 10.271,1090 11.294,1091 6.752,1092 21.048,1093 10.186,1094 13.899,1095 1,1096 18.088,1097 2.893,1098 11.667,1099 12.87,1100 7.949,1101 24.046,1102 11.575,1103 4.159,1104 0.93,1105 20.217,1106 2.484,1107 13.001,1108 14.176,1109 8.676,1110 27.023,1111 12.902,1112 3.248,1113 20.093,1114 22.368,1115 2.136,1116 14.393,1117 15.684,1118 9.77,1119 30.019,1120 14.287,1121 2.943,1122 12.966,1123 24.536,1124 4.478,1125 15.778,1126 17.068,1127 10.591,1128 33.012,1129 15.662,1130 2.719,1131 10.021,1132 26.715,1133 4.161,1134 17.181,1135 18.55,1136 11.628,1137 36.011,1138 17.057,1139 2.617,1140 8.674,1141 28.903,1142 3.89,1143 18.586,1144 19.975,1145 12.505,1146 39.008,1147 18.452,1148 2.36,1149 8.642,1150 31.097,1151 3.595,1152 19.998,1153 21.449,1154 13.509,1155 42.008,1156 19.855,1157 2.099,1158 7.657,1159 33.297,1160 3.406,1161 21.412,1162 22.897,1163 14.42,1164 45.007,1165 21.259,1166 15396,1167 26808,1168 27.452,1169 42.119,1170 66.382,1171 69.482,1172 72.204,1173 65.759,1174 65.887,1175 83.815,1176 18.086,1177 218.097,1178 64.365,1179 6.204,1180 6.593,1181 8.97,1182 6.199,1183 6.159,1184 7.478,1185 4.612,1186 30.232,1187 6.117,1188 20.893,1189 1.581,1190 1.654,1191 1.719,1192 1.566,1193 1.569,1194 1.996,1195 0.431,1196 5.193,1197 1.533,1198 4.177,1199 4.198,1200 4.142,1201 4.095,1202 7.815,1203 4.102,1204 3.975,1205 3.994,1206 3.943,1207 3.875,1208 7.432,1209 3.885,1210 3.89,1211 3.915,1212 3.829,1213 3.83,1214 7.423,1215 3.825,1216 3.735,1217 3.766,1218 3.697,1219 3.559,1220 6.999,1221 3.576,1222 3.517,1223 3.549,1224 3.469,1225 3.209,1226 4.919,1227 3.266,1228 3.39,1229 3.442,1230 3.28,1231 3.143,1232 4.764,1233 3.169,1234 3.25,1235 3.315,1236 3.112,1237 2.963,1238 4.695,1239 2.973,1240 3.173,1241 3.202,1242 3.062,1243 2.916,1244 4.495,1245 2.94,1246 0.124,1247 0.109,1248 0.218,1249 0.123,1250 0.099,1251 5.225,1252 0.107,1253 4.593,1254 0.062,1255 9.168,1256 0.478,1257 5.149,1258 0.098,1259 4.159,1260 4.478,1261 2.612,1262 20.093,1263 4.117,1264 1.948,1265 1.927,1266 2.056,1267 2.077,1268 1.379,1269 2.042,1270 1.906,1271 1.881,1272 1.99,1273 2.008,1274 1.181,1275 2.018,1276 1.88,1277 1.872,1278 1.955,1279 1.978,1280 1.132,1281 1.968,1282 1.643,1283 1.621,1284 1.751,1285 1.825,1286 0.968,1287 1.797,1288 1.511,1289 1.444,1290 1.746,1291 1.708,1292 0.917,1293 1.724,1294 1.236,1295 1.197,1296 1.575,1297 1.662,1298 0.604,1299 1.56,1300 1.23,1301 1.185,1302 1.567,1303 1.523,1304 0.575,1305 1.539,1306 1.191,1307 1.119,1308 1.398,1309 1.521,1310 0.54,1311 1.533,1312 4.443,1314 5.855,1315 3.434,1316 7.493,1317 6.075,1318 9.242,1319 8.42,1320 11.06,1322 4.862,1328 0.675,1329 2.938,1330 11.004,1332 -0.355,1333 1.897,1334 -2.71,1340 41.148,1341 98.193,1342 232.664,1343 294.921,1344 326.141,1345 332.896,1346 334.896,1347 96.251,1348 8.946,1349 113.69,1350 113.69,1351 33,1352 13.751,1353 4.524,1354 3.807,1355 50.264,1356 120,1357 149,1358 0.199,1359 244.227,1360 440.16,1361 587.674,1362 86529,1364 26.112,1365 0.706,1366 0.557,1367 26.112,1368 20.609,1369 17.788,1370 0.424,1371 0.285,1372 11.75,1373 16.95,1374 11.415,1375 9.389,1376 17.788,1377 11.955,1378 16.66,1379 0.252,1380 0.149,1381 16.66,1382 9.837,1383 15.728,1384 0.15,1385 0.08,1386 15.728,1387 8.38,1388 14.523,1389 0.09,1390 0.043,1391 14.523,1392 6.919,1393 12.55,1394 0.055,1395 0.023,1396 12.55,1397 5.283,1398 0.292,1399 113.058,1400 0.191,1401 31.868,1402 0.622,1403 216,1404 664.036,1405 236.72,1406 628.6,1407 853.16,1408 584,1409 279,1410 630.447,1411 301.971,1412 635.786,1413 948.84,1414 594,1415 4.879}
{0 CHEMBL1289719,1 1.681,2 9.263,3 4.316,4 18.63,5 141.039,6 8.613,7 0.419,8 4.263,9 4.352,10 3.953,11 3.835,12 5.452,13 3.834,14 4.83,15 4.959,16 4.412,17 4.311,18 6.021,19 4.304,20 5.109,21 5.229,22 4.66,23 4.572,24 6.282,25 4.552,26 5.382,27 5.531,28 4.778,29 4.728,30 6.571,31 4.695,32 5.515,33 5.682,34 4.817,35 4.78,36 6.762,37 4.736,38 5.503,39 5.687,40 4.837,41 4.782,42 6.721,43 4.721,44 5.479,45 5.663,46 4.775,47 4.66,48 6.814,49 4.614,50 5.332,51 5.517,52 4.517,53 4.427,54 6.698,55 4.378,56 0.209,57 0.867,58 9.634,59 5.627,60 12.027,61 6.397,62 0.571,63 1.47,64 21.668,65 9.994,66 71.714,67 11.433,68 0.602,69 1.932,70 27.836,71 13.674,72 61.407,73 15.687,74 0.88,75 2.445,76 42.677,77 17.933,78 111.434,79 20.662,80 1.514,81 2.706,82 53.937,83 20.2,84 198.702,85 23.116,86 1.288,87 2.69,88 54.298,89 20.977,90 140.665,91 25.876,92 1.516,93 2.505,94 56.78,95 19.763,96 202.631,97 23.414,98 1.712,99 2.024,100 53.129,101 17.251,102 249.343,103 19.607,104 74,105 68,106 0.266,107 0.618,108 0.777,109 0.854,110 0.87,111 0.875,112 3.67,113 0.868,114 -4.42,115 -4.35,116 -4.1,121 45.2,123 1,124 1,125 1,126 3,127 1,132 1,144 9,145 4,146 5,159 1,160 1,168 2,176 13,179 1,180 9,183 1,185 2,187 18,191 2,192 19,195 1,197 3,200 20,205 1,206 18,211 2,214 16,218 3,219 16,222 2,224 3,227 17,231 4,232 14,235 2,237 3,239 20,243 5,244 16,249 3,251 18,255 4,256 14,259 2,261 1,264 9,269 17,277 4,281 2772,282 25.53,283 25.53,284 25.53,285 25.53,286 25.53,287 22.867,288 34.26,289 14.085,290 26.141,291 20.973,292 20.973,293 20.973,294 20.973,295 20.973,296 16.73,297 43.475,298 6.343,299 21.779,300 4.273,301 2.05,302 1.045,303 0.553,304 0.456,305 0.424,306 4.376,308 1,312 1,313 767,314 4.183,317 219.244,318 287.718,321 262.148,325 1.305,326 62.985,329 0.75,330 0.5,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.73,337 83.833,338 352,339 5.227,340 4.594,341 9.168,342 5.15,343 4.16,344 4.481,345 2.612,346 20.096,347 4.117,348 4.531,349 3.859,350 7.516,351 4.247,352 3.254,353 4.162,354 2.086,355 13.005,356 3.23,357 4.32,358 3.774,359 6.553,360 3.952,361 2.983,362 3.924,363 1.277,364 10.207,365 2.892,366 4.197,367 3.325,368 6.28,369 3.741,370 2.781,371 3.78,372 0.942,373 9.184,374 2.668,375 4.041,376 3.183,377 6.125,378 3.645,379 2.688,380 3.48,381 0.86,382 8.649,383 2.555,384 3.749,385 3.03,386 5.917,387 3.36,388 2.404,389 3.114,390 0.86,391 7.901,392 2.288,393 3.457,394 2.752,395 5.779,396 3.108,397 2.143,398 2.68,399 0.357,400 7.352,401 2.062,402 3.241,403 2.559,404 5.36,405 2.898,406 1.917,407 2.427,408 0.047,409 5.818,410 1.875,411 3.131,412 2.43,413 5.215,414 2.832,415 1.854,416 2.232,418 5.631,419 1.803,420 3.017,421 2.201,422 5.144,423 2.718,424 1.734,425 2.143,427 5.221,428 1.687,429 2.895,430 2.145,431 4.726,432 2.416,433 1.446,434 2.007,436 4.072,437 1.401,438 2.86,439 1.909,440 4.452,441 2.347,442 1.414,443 1.978,445 3.648,446 1.27,447 2.77,448 1.733,449 4.105,450 2.293,451 1.344,452 1.844,454 3.029,455 1.231,456 2.65,457 1.523,458 3.93,459 2.215,460 1.216,461 1.614,463 2.893,464 1.213,465 2.278,466 1.313,467 3.804,468 1.933,469 0.937,470 1.206,472 2.536,473 0.931,474 17.914,475 0.471,476 1.231,477 0.032,478 50.75,479 1.336,480 25.5,481 0.671,482 25.25,483 0.664,484 39.517,485 1.04,486 40.286,487 0.65,488 49.736,489 1.309,490 9.966,491 0.262,492 8.233,493 0.217,494 0.198,495 0.056,496 0.38,501 0.566,502 1.136,503 0.581,504 0.94,505 0.501,506 0.855,507 0.787,508 0.883,509 0.629,510 0.707,511 0.491,512 0.69,513 0.722,514 1.131,515 0.797,516 1.041,517 0.699,518 0.982,519 0.951,520 1.179,521 0.972,522 1.113,523 1.004,524 1.065,525 1.078,526 0.978,527 1.046,528 0.982,529 1.135,530 1.02,531 0.725,532 1.057,533 0.906,534 1.032,535 0.84,536 1.018,537 1.005,538 1.016,539 1.035,540 1.058,541 1.06,542 1.026,543 1.319,544 0.909,545 1.176,546 0.941,547 1.396,548 0.973,549 9.5,550 0.226,551 7.333,552 5.84,553 4.343,554 3.207,555 1.992,556 1.189,557 0.849,558 0.398,559 17112,560 55703,561 2.081,562 38.7,563 2,564 20,567 1,569 1,572 1.802,573 1.884,574 3.157,575 -0.348,582 104.25,583 1.681,584 3.904,585 4.909,586 5.402,587 5.498,588 5.531,589 2.622,590 4.932,591 5.215,592 3.342,593 2349.36,594 9.277,595 34714.2,600 369.16,601 1.758,602 5.141,603 0.221,604 0.008,605 0.108,606 0.07,607 0.047,608 0.035,609 0.022,610 0.015,611 0.014,612 0.009,613 0.547,614 0.17,615 0.75,616 0.901,617 199.869,618 0.07,619 -0.003,620 0.039,621 0.014,622 -0.005,623 0.024,624 -0.013,625 0.201,626 0.099,627 0.253,628 0.1,629 0.228,630 0.015,631 -0.063,632 -0.022,633 -0.065,634 0.003,635 -0.057,636 -0.102,637 -0.149,638 -0.1,639 -0.136,640 -0.08,641 -0.115,642 -0.086,643 0.031,644 -0.11,645 -0.01,646 -0.08,647 -0.063,648 0.092,649 -0.064,650 0.065,651 -0.037,652 0.034,653 -0.012,654 0.031,655 -0.042,656 0.022,657 -0.071,658 0.044,659 -0.038,660 -0.039,661 0.002,662 -0.047,663 0.058,664 -0.05,665 0.019,666 2.769,667 7.784,668 0.711,669 35.205,670 1.021,671 1.117,672 3.189,673 10.172,674 0.693,675 3.784,676 4.234,677 4.691,678 5.118,679 5.468,680 5.756,681 6.038,682 6.265,683 6.441,684 6.571,685 5.917,686 0.677,687 534,688 3.784,689 5.407,690 6.354,691 7.331,692 8.312,693 9.307,694 10.304,695 11.309,696 12.315,697 13.326,698 4.8,701 1,705 1,709 1,715 9,720 9,722 18,727 1,735 1,739 2,740 1,741 62,743 22,744 3,745 43,747 67,748 28,749 18,750 9,751 9,752 1,756 6,757 8,758 1,764 1,766 1,767 1,768 2,770 1,772 20,773 8,774 2,777 4,779 1,782 4,786 2,793 24,794 8,795 1,796 10,797 1,802 3,808 0.333,809 6,825 1,828 3,829 3,832 2,843 1,855 1,859 2,864 3,865 1,868 38,876 2,877 1,878 2,880 1,881 1,882 2,892 1,893 9.7,896 2,898 2,899 2,901 20.167,902 12.376,903 8.215,904 3.551,907 2.629,908 1.292,909 0.978,910 5.672,911 11.625,912 4.043,913 4.696,914 5.324,915 5.929,916 6.5,917 6.878,918 7.325,919 7.719,920 8.079,921 8.439,922 1,923 84,924 14.313,926 6.756,927 0.026,929 7.994,931 26.414,933 23.194,936 2.494,937 94.778,941 270.735,942 162.17,943 26.805,944 39.149,945 123.037,948 162.17,949 432.921,950 26.805,951 35.833,952 22.651,953 85.286,954 60.128,955 57.367,957 270.735,958 89.896,959 270.735,960 188.975,961 123.037,962 39.149,964 258.964,965 84.061,966 50.747,968 25.775,969 157.53,970 44.819,972 270.735,973 149.842,974 201.319,977 270.735,978 46.722,979 124.243,980 18.011,981 162.185,982 270.735,983 149.842,984 201.319,986 0.603,987 0.393,988 0.23,989 0.132,990 38,991 18,992 0.06,993 4,994 2,995 1.222,996 4.175,997 455.18,998 0.148,999 29,1000 197.421,1005 25.017,1006 8.616,1007 3.095,1009 144.172,1010 15.038,1015 3.946,1017 18.011,1018 621.896,1019 56,1021 -0.495,1024 52.478,1028 -0.637,1031 63.313,1032 69.263,1034 0.282,1035 0.656,1036 0.824,1037 0.907,1038 0.923,1039 0.929,1040 5.368,1041 1.917,1042 6.431,1043 7.352,1044 4.92,1045 5.384,1046 3.312,1047 7.489,1048 4.861,1049 6.633,1050 1.854,1051 8.155,1052 5.818,1053 4.89,1054 5.44,1055 2.773,1056 9.17,1057 4.816,1058 8.017,1059 1.734,1060 10.007,1061 5.631,1062 6.781,1063 7.631,1064 4.577,1065 12.477,1066 6.694,1067 9.445,1068 1.446,1069 11.948,1070 5.221,1071 7.621,1072 8.463,1073 4.802,1074 15.11,1075 7.529,1076 10.913,1077 1.414,1078 13.954,1079 4.072,1080 9.1,1081 10.197,1082 6.195,1083 18.144,1084 9.002,1085 12.411,1086 1.344,1087 16.011,1088 3.648,1089 10.295,1090 11.358,1091 6.752,1092 21.052,1093 10.195,1094 13.935,1095 1.216,1096 18.106,1097 3.029,1098 11.688,1099 12.927,1100 7.949,1101 24.05,1102 11.582,1103 4.16,1104 0.937,1105 20.232,1106 2.893,1107 13.018,1108 14.239,1109 8.676,1110 27.025,1111 12.908,1112 3.254,1113 20.096,1114 22.38,1115 2.536,1116 14.407,1117 15.742,1118 9.77,1119 30.022,1120 14.291,1121 2.983,1122 13.005,1123 24.544,1124 4.481,1125 15.789,1126 17.127,1127 10.591,1128 33.014,1129 15.666,1130 2.781,1131 10.207,1132 26.722,1133 4.162,1134 17.19,1135 18.605,1136 11.628,1137 36.013,1138 17.06,1139 2.688,1140 9.184,1141 28.908,1142 3.924,1143 18.594,1144 20.029,1145 12.505,1146 39.011,1147 18.455,1148 2.404,1149 8.649,1150 31.102,1151 3.78,1152 20.005,1153 21.499,1154 13.509,1155 42.01,1156 19.857,1157 2.143,1158 7.901,1159 33.3,1160 3.48,1161 21.419,1162 22.945,1163 14.42,1164 45.01,1165 21.262,1166 16334,1167 29557,1168 27.857,1169 42.977,1170 68,1171 71.439,1172 74.787,1173 67.517,1174 67.47,1175 85.58,1176 18.086,1177 224.717,1178 65.138,1179 6.205,1180 6.594,1181 8.853,1182 6.2,1183 6.16,1184 7.481,1185 4.612,1186 30.242,1187 6.117,1188 22.699,1189 1.581,1190 1.661,1191 1.739,1192 1.57,1193 1.569,1194 1.99,1195 0.421,1196 5.226,1197 1.515,1198 4.177,1199 4.198,1200 4.158,1201 4.097,1202 7.815,1203 4.104,1204 3.975,1205 3.994,1206 3.98,1207 3.875,1208 7.432,1209 3.885,1210 3.895,1211 3.914,1212 3.932,1213 3.843,1214 7.423,1215 3.837,1216 3.736,1217 3.766,1218 3.721,1219 3.561,1220 6.999,1221 3.578,1222 3.518,1223 3.549,1224 3.481,1225 3.209,1226 4.945,1227 3.266,1228 3.39,1229 3.442,1230 3.299,1231 3.143,1232 4.902,1233 3.169,1234 3.25,1235 3.315,1236 3.273,1237 2.963,1238 4.709,1239 2.973,1240 3.173,1241 3.202,1242 3.112,1243 2.918,1244 4.495,1245 2.941,1246 0.122,1247 0.107,1248 0.213,1249 0.12,1250 0.097,1251 5.227,1252 0.104,1253 4.594,1254 0.061,1255 9.168,1256 0.467,1257 5.15,1258 0.096,1259 4.16,1260 4.481,1261 2.612,1262 20.096,1263 4.117,1264 1.945,1265 1.928,1266 2.028,1267 2.077,1268 1.38,1269 2.04,1270 1.904,1271 1.881,1272 1.987,1273 1.994,1274 1.181,1275 2.006,1276 1.88,1277 1.872,1278 1.954,1279 1.978,1280 1.132,1281 1.968,1282 1.642,1283 1.621,1284 1.749,1285 1.825,1286 0.967,1287 1.797,1288 1.51,1289 1.444,1290 1.743,1291 1.705,1292 0.915,1293 1.721,1294 1.236,1295 1.197,1296 1.575,1297 1.662,1298 0.604,1299 1.56,1300 1.23,1301 1.185,1302 1.567,1303 1.523,1304 0.575,1305 1.539,1306 1.191,1307 1.119,1308 1.398,1309 1.521,1310 0.54,1311 1.533,1312 4.466,1314 5.883,1315 3.434,1316 7.523,1317 6.075,1318 9.275,1319 8.42,1320 11.093,1322 4.8,1323 6.707,1328 0.532,1329 2.919,1330 11,1332 -0.492,1333 1.851,1334 -2.869,1340 41.975,1341 104.25,1342 242.044,1343 304.366,1344 334.896,1345 340.896,1346 342.896,1347 104.054,1348 8.996,1349 113.69,1350 113.69,1351 33,1352 13.78,1353 4.524,1354 3.807,1355 52.255,1356 124,1357 155,1358 0.199,1359 252.56,1360 455.37,1361 608.007,1362 91334,1363 1.6,1364 26.982,1365 0.71,1366 0.57,1367 27.482,1368 21.666,1369 18.199,1370 0.423,1371 0.289,1372 11.886,1373 17.069,1374 11.517,1375 9.446,1376 18.487,1377 12.439,1378 17.187,1379 0.253,1380 0.152,1381 17.558,1382 10.355,1383 16.204,1384 0.15,1385 0.082,1386 16.562,1387 8.803,1388 14.873,1389 0.09,1390 0.044,1391 15.175,1392 7.233,1393 12.795,1394 0.054,1395 0.023,1396 13.051,1397 5.51,1398 0.292,1399 118.698,1400 0.189,1401 32.511,1402 0.625,1403 222,1404 698.24,1405 258.24,1406 690.564,1407 925.11,1408 640,1409 287,1410 658.31,1411 321.681,1412 673.176,1413 1005.46,1414 629,1415 5.119}
{0 CHEMBL1289825,1 1.516,2 9.325,3 5.039,4 25.394,5 148.114,6 7.979,7 0.522,8 4.328,9 4.422,10 3.962,11 3.942,12 5.472,13 3.931,14 4.885,15 5.01,16 4.404,17 4.404,18 5.981,19 4.383,20 5.195,21 5.34,22 4.619,23 4.63,24 6.32,25 4.596,26 5.404,27 5.567,28 4.732,29 4.769,30 6.523,31 4.73,32 5.549,33 5.724,34 4.822,35 4.882,36 6.733,37 4.834,38 5.589,39 5.767,40 4.847,41 4.959,42 6.734,43 4.893,44 5.654,45 5.849,46 4.813,47 4.91,48 6.825,49 4.844,50 5.52,51 5.72,52 4.633,53 4.719,54 6.76,55 4.647,56 0.057,57 0.943,58 11.72,59 6.308,60 11.894,61 7.344,62 0.273,63 1.623,64 23.185,65 11.117,66 39.073,67 13.052,68 0.451,69 2.24,70 33.093,71 15.263,72 66.413,73 18.277,74 0.533,75 2.68,76 42.948,77 18.37,78 93.171,79 22.105,80 0.962,81 2.948,82 52.54,83 21.443,84 152.199,85 25.983,86 0.619,87 3.155,88 53.03,89 23.617,90 111.624,91 29.431,92 0.932,93 3.387,94 60.953,95 24.995,96 149.275,97 30.668,98 1.146,99 3.041,100 54.87,101 22.047,102 172.44,103 26.67,104 30,105 71,106 0.235,107 0.551,108 0.693,109 0.808,110 0.853,111 0.864,112 3.719,113 0.863,114 -5.21,115 -5.1,116 -4.77,121 49.3,123 1,124 1,125 1,126 2,129 1,132 1,144 15,145 5,146 4,159 1,160 1,176 21,180 4,183 1,185 6,187 26,191 1,192 10,195 1,196 1,197 8,200 25,206 10,209 1,211 11,214 25,218 2,219 13,222 1,224 10,227 38,231 1,232 14,237 6,239 46,244 11,247 2,249 4,251 40,255 2,256 10,259 2,261 1,264 23,269 12,277 8,281 3156,282 27.575,283 27.575,284 27.575,285 27.575,286 27.575,287 24.49,288 33.276,289 15.657,290 28.033,291 22.543,292 22.543,293 22.543,294 22.543,295 22.543,296 17.78,297 42.8,298 7.188,299 23.103,300 4.55,301 2.514,302 1.602,303 0.858,304 0.571,305 0.5,306 4.44,312 1,313 830,314 3.808,317 235.994,318 424.167,321 284.205,325 1.308,326 54.994,329 0.75,330 0.67,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.75,337 86.5,338 373,339 5.203,340 4.565,341 9.075,342 5.128,343 4.135,344 4.45,345 2.081,346 19.665,347 4.106,348 4.504,349 3.843,350 7.439,351 4.219,352 3.224,353 4.116,354 1.277,355 12.818,356 3.207,357 4.29,358 3.355,359 6.675,360 4.004,361 3.019,362 3.78,363 0.86,364 10.607,365 2.979,366 4.051,367 3.179,368 6.323,369 3.726,370 2.76,371 3.535,372 0.86,373 9.379,374 2.665,375 3.961,376 2.94,377 6.002,378 3.549,379 2.569,380 3.507,381 0.818,382 8.194,383 2.515,384 3.76,385 2.902,386 5.921,387 3.388,388 2.413,389 3.141,390 0.467,391 7.984,392 2.344,393 3.57,394 2.719,395 5.645,396 3.2,397 2.233,398 2.866,399 0.076,400 6.943,401 2.149,402 3.336,403 2.56,404 5.209,405 2.969,406 1.98,407 2.56,409 5.936,410 1.94,411 3.207,412 2.532,413 5.121,414 2.85,415 1.859,416 2.39,418 5.666,419 1.837,420 3.088,421 2.197,422 5.014,423 2.747,424 1.77,425 2.27,427 5.25,428 1.724,429 3.008,430 2.025,431 4.645,432 2.663,433 1.684,434 2.138,436 4.53,437 1.641,438 2.839,439 1.829,440 4.456,441 2.359,442 1.375,443 1.97,445 3.698,446 1.358,447 2.696,448 1.518,449 4.281,450 2.32,451 1.354,452 1.688,454 2.951,455 1.281,456 2.5,457 1.332,458 3.969,459 2.115,460 1.135,461 1.5,463 2.772,464 1.107,465 2.5,466 1.235,467 3.644,468 2,469 1,470 1.5,472 2.647,473 1,474 18.919,475 0.473,476 1.076,477 0.027,478 54.25,479 1.356,480 28.5,481 0.713,482 25.75,483 0.644,484 40.176,485 1.004,486 41.081,487 0.613,488 52.688,489 1.317,490 10.787,491 0.27,492 8.653,493 0.216,494 0.103,495 0.053,496 0.344,499 1,501 0.661,502 0.946,503 0.693,504 0.925,505 0.537,506 0.834,507 0.827,508 0.934,509 0.781,510 0.874,511 0.605,512 0.832,513 0.803,514 1.055,515 0.878,516 1.038,517 0.873,518 0.987,519 0.944,520 0.994,521 0.966,522 1.03,523 1.039,524 1.001,525 0.947,526 0.787,527 0.95,528 0.88,529 0.981,530 0.905,531 0.737,532 0.927,533 0.926,534 1.03,535 0.857,536 1.02,537 1.008,538 0.952,539 1,540 1.015,541 1.205,542 1.011,543 1.093,544 1.109,545 1.072,546 1.071,547 1.136,548 1.073,549 8.5,550 0.218,551 6.889,552 5.41,553 4.388,554 3.186,555 1.874,556 1.198,557 0.938,558 0.41,559 20353,560 55921,561 2.166,562 40.3,563 2,564 22,567 2,569 1,572 1.816,573 2.017,574 3.135,575 0.075,582 101.581,583 1.516,584 3.552,585 4.464,586 5.208,587 5.495,588 5.566,589 2.621,590 5.003,591 5.288,592 3.335,593 2601.13,594 9.435,595 39986.3,600 406.428,601 1.618,602 5.243,603 0.185,604 0.008,605 0.097,606 0.064,607 0.047,608 0.031,609 0.018,610 0.012,611 0.012,612 0.008,613 0.48,614 0.17,615 0.75,616 0.724,617 213.305,618 -0.033,619 0.018,620 0.047,621 0.035,622 -0.036,623 0.056,624 -0.044,625 0.018,626 0.04,627 0.089,628 -0.011,629 0.08,630 0.035,631 -0.064,632 -0.014,633 -0.075,634 -0.019,635 -0.061,636 -0.074,637 -0.056,638 -0.065,639 -0.079,640 -0.079,641 -0.069,642 -0.029,643 0.068,644 -0.016,645 0.077,646 0.018,647 0.044,648 -0.005,649 -0.044,650 -0.022,651 -0.05,652 0.007,653 -0.04,654 -0.03,655 -0.024,656 -0.018,657 -0.032,658 -0.079,659 -0.027,660 0.066,661 -0.075,662 -0.048,663 -0.078,664 0.027,665 -0.088,666 2.639,667 8.042,668 0.825,669 37.945,670 1.008,671 1.113,672 3.976,673 15.807,674 0.696,675 3.85,676 4.277,677 4.727,678 5.165,679 5.549,680 5.841,681 6.151,682 6.417,683 6.603,684 6.735,685 6.005,686 0.674,687 534.62,688 3.85,689 5.46,690 6.399,691 7.367,692 8.344,693 9.334,694 10.33,695 11.333,696 12.339,697 13.349,698 3,700 1,705 1,715 15,720 9,722 24,727 1,739 2,740 1,741 67,743 26,744 4,745 46,747 73,748 33,749 24,750 9,751 15,752 1,756 7,757 9,764 1,766 1,767 2,768 2,770 2,772 26,773 7,774 2,777 2,782 2,786 2,791 1,793 27,794 7,795 2,796 7,802 2,808 0.429,809 4,825 1,828 3,829 4,832 2,843 1,853 1,859 3,864 2,866 1,868 40,876 1,877 2,878 2,880 2,882 2,892 1,893 6,896 2,898 2,901 19.833,902 12.726,903 8.674,904 3.918,907 2.531,908 1.28,909 1.011,910 5.64,911 11.562,912 4.111,913 4.745,914 5.38,915 5.988,916 6.575,917 6.896,918 7.37,919 7.837,920 8.242,921 8.628,922 1,923 85,924 15.065,926 7.076,927 0.026,929 7.825,931 28.322,933 25.117,936 2.325,937 93,941 294.278,942 214.575,943 36.022,945 72.29,946 14.96,948 214.575,949 366.567,950 50.982,951 21.766,952 20.545,953 160.154,954 60.128,955 60.292,956 14.96,957 294.278,959 294.278,960 250.596,961 87.25,964 297.467,965 84.061,968 38.556,969 212.04,972 309.238,973 108.311,974 214.575,977 294.278,978 50.665,979 163.91,980 36.022,981 87.25,982 294.278,983 123.271,984 214.575,986 0.593,987 0.38,988 0.228,989 0.139,990 40,991 17,992 0.055,993 4,994 2,995 1.182,996 4.4,997 495.651,998 0.121,999 35,1000 204.877,1005 25.012,1006 9.02,1007 3.274,1009 123.271,1010 27.19,1015 4.977,1017 36.022,1018 632.124,1019 60,1024 29.374,1028 -0.435,1031 67.512,1032 74.572,1034 0.25,1035 0.586,1036 0.736,1037 0.859,1038 0.906,1039 0.918,1040 5.416,1041 1.98,1042 6.454,1043 6.943,1044 4.963,1045 5.434,1046 2.782,1047 7.489,1048 4.926,1049 6.661,1050 1.859,1051 8.155,1052 5.936,1053 4.844,1054 5.33,1055 1.796,1056 9.118,1057 4.8,1058 8.026,1059 1.77,1060 9.988,1061 5.666,1062 6.792,1063 7.64,1064 3.529,1065 12.42,1066 6.736,1067 9.435,1068 1.684,1069 11.914,1070 5.25,1071 7.581,1072 8.339,1073 3.441,1074 15.013,1075 7.523,1076 10.888,1077 1.375,1078 13.908,1079 4.53,1080 9.081,1081 10.152,1082 4.667,1083 18.029,1084 9.016,1085 12.374,1086 1.354,1087 15.954,1088 3.698,1089 10.251,1090 11.219,1091 5.007,1092 20.906,1093 10.185,1094 13.888,1095 1.135,1096 18.038,1097 2.951,1098 11.646,1099 12.834,1100 5.99,1101 23.882,1102 11.576,1103 4.135,1104 1,1105 20.152,1106 2.772,1107 12.964,1108 14.087,1109 6.528,1110 26.833,1111 12.89,1112 3.224,1113 19.665,1114 22.288,1115 2.647,1116 14.35,1117 15.614,1118 7.39,1119 29.807,1120 14.271,1121 3.019,1122 12.818,1123 24.441,1124 4.45,1125 15.724,1126 16.965,1127 8.024,1128 32.777,1129 15.64,1130 2.76,1131 10.607,1132 26.606,1133 4.116,1134 17.12,1135 18.454,1136 8.824,1137 35.753,1138 17.03,1139 2.569,1140 9.379,1141 28.781,1142 3.78,1143 18.517,1144 19.858,1145 9.506,1146 38.729,1147 18.421,1148 2.413,1149 8.194,1150 30.963,1151 3.535,1152 19.922,1153 21.332,1154 10.274,1155 41.707,1156 19.82,1157 2.233,1158 7.984,1159 33.15,1160 3.507,1161 21.329,1162 22.767,1163 10.98,1164 44.684,1165 21.221,1166 18913,1167 31432,1168 30.917,1169 46.665,1170 72.163,1171 74.48,1172 77.162,1173 71.402,1174 71.47,1175 91.141,1176 12.878,1177 232.108,1178 69.922,1179 6.182,1180 6.565,1181 8.877,1182 6.184,1183 6.135,1184 7.45,1185 3.618,1186 29.778,1187 6.106,1188 18.667,1189 1.569,1190 1.619,1191 1.677,1192 1.552,1193 1.554,1194 1.981,1195 0.28,1196 5.046,1197 1.52,1198 4.179,1199 4.2,1200 4.142,1201 4.106,1202 8.201,1203 4.111,1204 3.938,1205 3.955,1206 3.899,1207 3.865,1208 7.432,1209 3.869,1210 3.916,1211 3.942,1212 3.862,1213 3.854,1214 7.423,1215 3.852,1216 3.854,1217 3.883,1218 3.791,1219 3.794,1220 4.922,1221 3.789,1222 3.626,1223 3.654,1224 3.562,1225 3.511,1226 4.799,1227 3.518,1228 3.369,1229 3.403,1230 3.296,1231 3.15,1232 4.729,1233 3.179,1234 3.269,1235 3.316,1236 3.184,1237 3.094,1238 4.621,1239 3.107,1240 3.25,1241 3.315,1242 3.062,1243 2.963,1244 4.495,1245 2.973,1246 0.113,1247 0.099,1248 0.197,1249 0.111,1250 0.09,1251 5.203,1252 0.097,1253 4.565,1254 0.045,1255 9.075,1256 0.428,1257 5.128,1258 0.089,1259 4.135,1260 4.45,1261 2.081,1262 19.665,1263 4.106,1264 1.966,1265 1.943,1266 2.071,1267 2.04,1268 1.394,1269 2.051,1270 1.904,1271 1.88,1272 2.006,1273 1.983,1274 1.2,1275 1.992,1276 1.88,1277 1.872,1278 1.97,1279 1.978,1280 1.128,1281 1.968,1282 1.855,1283 1.828,1284 1.954,1285 1.938,1286 1.055,1287 1.95,1288 1.626,1289 1.605,1290 1.73,1291 1.776,1292 0.95,1293 1.755,1294 1.391,1295 1.344,1296 1.575,1297 1.595,1298 0.749,1299 1.587,1300 1.234,1301 1.185,1302 1.566,1303 1.522,1304 0.593,1305 1.538,1306 1.193,1307 1.123,1308 1.549,1309 1.52,1310 0.574,1311 1.532,1312 4.533,1314 5.932,1315 3.434,1316 7.559,1317 6.075,1318 9.296,1319 8.424,1320 11.1,1322 3.092,1324 14.2,1328 0.279,1329 6.782,1330 11.141,1332 -0.935,1334 -2.665,1340 45.134,1341 101.581,1342 238.002,1343 299.096,1344 348.944,1345 368.163,1346 372.918,1347 93.613,1348 9.031,1349 76.66,1350 76.66,1351 39,1352 13.803,1353 4.755,1354 3.907,1355 51.449,1356 133,1357 169,1358 0.182,1359 265.352,1360 475.61,1361 639.219,1362 90572,1363 1.5,1364 27.648,1365 0.691,1366 0.551,1367 26.777,1368 22.033,1369 19.44,1370 0.423,1371 0.288,1372 13.06,1373 18.778,1374 12.744,1375 10.457,1376 19.046,1377 13.231,1378 17.905,1379 0.252,1380 0.15,1381 17.283,1382 10.653,1383 16.982,1384 0.152,1385 0.08,1386 16.572,1387 8.942,1388 15.584,1389 0.09,1390 0.042,1391 15.432,1392 7.344,1393 14.042,1394 0.055,1395 0.023,1396 13.804,1397 5.784,1398 0.266,1399 121.68,1400 0.18,1401 33.877,1402 0.573,1403 234,1404 681.719,1405 252.347,1406 631.168,1407 868.19,1408 592,1409 300,1410 639.922,1411 319.729,1412 647.422,1413 972.34,1414 610,1415 5.164}
{0 CHEMBL1289942,1 1.423,2 9.256,3 4.834,4 23.365,5 147.898,6 7.711,7 0.533,8 4.321,9 4.418,10 3.933,11 3.944,12 5.429,13 3.923,14 4.877,15 5.005,16 4.367,17 4.405,18 5.913,19 4.373,20 5.184,21 5.332,22 4.587,23 4.631,24 6.244,25 4.586,26 5.397,27 5.563,28 4.717,29 4.77,30 6.485,31 4.725,32 5.547,33 5.722,34 4.81,35 4.882,36 6.724,37 4.831,38 5.583,39 5.764,40 4.822,41 4.96,42 6.707,43 4.887,44 5.643,45 5.843,46 4.747,47 4.913,48 6.757,49 4.828,50 5.499,51 5.707,52 4.516,53 4.723,54 6.587,55 4.619,56 0.019,57 0.869,58 12.496,59 6.27,60 10.475,61 7.638,62 0.2,63 1.503,64 24.154,65 11.059,66 32.441,67 13.538,68 0.305,69 2.059,70 33.954,71 15.165,72 48.051,73 19.094,74 0.337,75 2.552,76 43.996,77 18.299,78 72.899,79 22.821,80 0.801,81 2.899,82 53.801,83 21.418,84 136.985,85 26.388,86 0.427,87 3.015,88 54.109,89 23.544,90 97.843,91 30.112,92 0.646,93 3.148,94 61.171,95 24.897,96 123.996,97 31.555,98 0.781,99 2.698,100 54.124,101 21.866,102 120.925,103 28.033,104 21,105 69,106 0.221,107 0.526,108 0.656,109 0.768,110 0.832,111 0.859,112 3.695,113 0.875,114 -5.11,115 -5.01,116 -4.69,121 49.3,123 1,124 1,125 1,126 2,129 1,132 1,144 16,145 5,146 3,159 1,160 1,176 23,180 4,183 1,185 6,187 28,191 1,192 10,195 1,196 1,197 8,200 26,206 10,209 1,211 11,214 26,218 2,219 13,222 1,224 10,227 39,231 1,232 14,237 7,239 48,244 12,247 2,249 4,251 45,255 2,256 11,259 2,261 2,264 28,269 12,277 11,281 2919,282 27.127,283 27.127,284 27.127,285 27.127,286 27.127,287 24.067,288 31.648,289 15.57,290 27.523,291 22.077,292 22.077,293 22.077,294 22.077,295 22.077,296 17.375,297 42.137,298 7.151,299 22.511,300 4.643,301 2.675,302 1.838,303 1.115,304 0.703,305 0.53,306 4.418,312 1,313 807,314 3.742,317 226.303,318 409.205,321 273.466,325 1.264,326 43.539,329 0.75,330 0.67,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.75,337 83,338 361,339 5.203,340 4.565,341 9.075,342 5.128,343 4.135,344 4.45,345 2.081,346 19.665,347 4.106,348 4.504,349 3.843,350 7.439,351 4.219,352 3.224,353 4.116,354 1.277,355 12.818,356 3.207,357 4.284,358 3.353,359 6.675,360 4.002,361 3.016,362 3.751,363 0.86,364 10.606,365 2.977,366 4.046,367 3.179,368 6.323,369 3.726,370 2.759,371 3.507,372 0.86,373 9.379,374 2.665,375 3.88,376 2.924,377 6.002,378 3.49,379 2.498,380 3.413,381 0.818,382 8.193,383 2.475,384 3.752,385 2.767,386 5.92,387 3.381,388 2.403,389 3.132,390 0.467,391 7.964,392 2.342,393 3.44,394 2.594,395 5.634,396 3.072,397 2.072,398 2.684,399 0.076,400 6.852,401 2.064,402 3.237,403 2.541,404 5.207,405 2.872,406 1.876,407 2.445,409 5.7,410 1.866,411 3.125,412 2.198,413 5.091,414 2.778,415 1.793,416 2.299,418 5.252,419 1.765,420 3.049,421 2.075,422 4.741,423 2.731,424 1.751,425 2.181,427 4.722,428 1.706,429 2.882,430 1.869,431 4.456,432 2.452,433 1.46,434 2.027,436 3.706,437 1.447,438 2.839,439 1.547,440 4.302,441 2.359,442 1.355,443 1.97,445 3.211,446 1.358,447 2.67,448 1.505,449 3.993,450 2.3,451 1.35,452 1.659,454 2.949,455 1.264,456 2.5,457 1.315,458 3.65,459 2.091,460 1.11,461 1.5,463 2.75,464 1.086,465 2.5,466 1.235,467 3.63,468 2,469 1,470 1.5,472 2.43,473 1,474 18.633,475 0.478,476 0.97,477 0.025,478 53.5,479 1.372,480 28.5,481 0.731,482 25,483 0.641,484 38.519,485 0.988,486 39.567,487 0.591,488 50.481,489 1.294,490 10.583,491 0.271,492 8.463,493 0.217,494 0.089,495 0.054,496 0.322,501 0.731,502 1.018,503 0.732,504 0.925,505 0.574,506 0.84,507 0.931,508 0.982,509 0.825,510 0.874,511 0.673,512 0.842,513 0.775,514 1.121,515 0.866,516 1.04,517 0.9,518 0.979,519 1.078,520 1.131,521 0.96,522 1.035,523 1.277,524 0.983,525 1.228,526 0.929,527 0.988,528 0.884,529 1.383,530 0.893,531 0.848,532 1.044,533 0.948,534 1.034,535 1.055,536 1.01,537 1.129,538 0.992,539 1.041,540 1.015,541 1.424,542 1.016,543 1.028,544 1.018,545 1.09,546 1.067,547 1.1,548 1.089,549 7.5,550 0.127,551 6.444,552 5.347,553 4.197,554 3.117,555 1.714,556 0.986,557 0.724,558 0.302,559 19084,560 47444,561 2.187,562 41.8,563 2,564 23,567 2,569 1,572 1.81,573 2.053,574 3.107,575 0.06,582 95.357,583 1.423,584 3.391,585 4.228,586 4.951,587 5.363,588 5.536,589 2.598,590 5.029,591 5.253,592 3.298,593 2443.71,594 9.363,595 36852.6,600 406.428,601 1.561,602 5.213,603 0.167,604 0.005,605 0.093,606 0.064,607 0.045,608 0.031,609 0.016,610 0.011,611 0.01,612 0.007,613 0.449,614 0.17,615 0.75,616 0.692,617 206.1,618 -0.03,619 0.024,620 0.056,621 0.035,622 -0.039,623 0.056,624 -0.043,625 0.045,626 0.033,627 0.091,628 -0.043,629 0.073,630 0.102,631 -0.095,632 0.023,633 -0.077,634 0.003,635 -0.049,636 -0.052,637 -0.091,638 -0.028,639 -0.081,640 -0.067,641 -0.055,642 -0.024,643 0.091,644 -0.015,645 0.078,646 0.047,647 0.042,648 0.005,649 -0.054,650 -0.018,651 -0.05,652 0.048,653 -0.039,654 -0.055,655 -0.013,656 -0.049,657 -0.031,658 -0.083,659 -0.038,660 0.065,661 -0.055,662 -0.081,663 -0.077,664 -0.021,665 -0.098,666 2.54,667 8.049,668 0.846,669 35.629,670 1,671 1.108,672 3.884,673 15.085,674 0.697,675 3.829,676 4.248,677 4.71,678 5.153,679 5.533,680 5.823,681 6.129,682 6.387,683 6.564,684 6.688,685 5.866,686 0.668,687 516.63,688 3.829,689 5.434,690 6.375,691 7.344,692 8.323,693 9.315,694 10.312,695 11.317,696 12.324,697 13.335,698 3,700 1,705 1,715 16,720 8,722 24,727 1,739 2,741 67,743 26,744 4,745 45,747 73,748 33,749 24,750 8,751 16,752 1,756 7,757 9,764 1,766 1,767 2,768 2,770 2,772 26,773 7,774 2,777 2,782 2,786 2,793 28,794 6,795 2,796 6,802 2,808 0.429,809 4,825 1,828 3,829 4,832 2,843 1,853 1,859 3,864 2,868 39,876 1,877 2,878 2,880 2,882 2,893 6,896 2,898 2,901 19,902 12.667,903 8.507,904 3.937,907 2.533,908 1.282,909 1.011,910 5.45,911 11.516,912 4.094,913 4.718,914 5.359,915 5.971,916 6.551,917 6.867,918 7.349,919 7.807,920 8.205,921 8.585,922 1,923 83,924 14.639,926 6.795,927 0.026,929 7.688,931 27.901,933 24.747,936 2.188,937 85.333,941 306.049,942 214.93,943 36.022,945 72.29,948 214.93,949 378.338,950 36.022,951 21.766,952 20.545,953 169.631,954 60.128,955 51.171,957 306.049,959 306.049,960 250.952,961 72.29,964 294.278,965 84.061,968 38.556,969 212.396,972 306.049,973 108.311,974 214.93,977 306.049,978 41.544,979 173.386,980 36.022,981 72.29,982 306.049,983 108.311,984 214.93,986 0.588,987 0.381,988 0.234,989 0.141,990 39,991 16,992 0.055,993 4,994 2,995 1.182,996 4.349,997 479.984,998 0.121,999 35,1000 198.131,1005 24.141,1006 8.804,1007 3.116,1009 108.311,1010 31.604,1015 6.045,1017 36.022,1018 629.29,1019 59,1024 29.387,1028 -0.27,1031 67,1032 74.232,1034 0.235,1035 0.559,1036 0.697,1037 0.816,1038 0.884,1039 0.913,1040 5.394,1041 1.876,1042 6.425,1043 6.852,1044 4.934,1045 5.407,1046 2.782,1047 7.466,1048 4.905,1049 6.632,1050 1.793,1051 8.127,1052 5.7,1053 4.796,1054 5.263,1055 1.796,1056 9.106,1057 4.765,1058 7.994,1059 1.751,1060 9.965,1061 5.252,1062 6.765,1063 7.604,1064 3.529,1065 12.413,1066 6.717,1067 9.403,1068 1.46,1069 11.896,1070 4.722,1071 7.555,1072 8.285,1073 3.441,1074 15.011,1075 7.506,1076 10.857,1077 1.355,1078 13.896,1079 3.706,1080 9.064,1081 10.116,1082 4.667,1083 18.028,1084 9.006,1085 12.345,1086 1.35,1087 15.945,1088 3.211,1089 10.238,1090 11.177,1091 5.007,1092 20.906,1093 10.178,1094 13.862,1095 1.11,1096 18.032,1097 2.949,1098 11.637,1099 12.801,1100 5.99,1101 23.882,1102 11.571,1103 4.135,1104 1,1105 20.148,1106 2.75,1107 12.958,1108 14.053,1109 6.528,1110 26.833,1111 12.887,1112 3.224,1113 19.665,1114 22.285,1115 2.43,1116 14.346,1117 15.586,1118 7.39,1119 29.807,1120 14.269,1121 3.016,1122 12.818,1123 24.439,1124 4.45,1125 15.721,1126 16.938,1127 8.024,1128 32.777,1129 15.639,1130 2.759,1131 10.606,1132 26.605,1133 4.116,1134 17.118,1135 18.43,1136 8.824,1137 35.753,1138 17.029,1139 2.498,1140 9.379,1141 28.78,1142 3.751,1143 18.515,1144 19.837,1145 9.506,1146 38.729,1147 18.42,1148 2.403,1149 8.193,1150 30.963,1151 3.507,1152 19.921,1153 21.314,1154 10.274,1155 41.707,1156 19.819,1157 2.072,1158 7.964,1159 33.15,1160 3.413,1161 21.329,1162 22.75,1163 10.98,1164 44.684,1165 21.22,1166 17661,1167 27944,1168 30.512,1169 46.728,1170 70.444,1171 72.398,1172 74.907,1173 69.668,1174 69.81,1175 89.297,1176 12.878,1177 225.729,1178 68.645,1179 6.182,1180 6.565,1181 8.877,1182 6.184,1183 6.135,1184 7.45,1185 3.618,1186 29.778,1187 6.106,1188 16.233,1189 1.565,1190 1.609,1191 1.665,1192 1.548,1193 1.551,1194 1.984,1195 0.286,1196 5.016,1197 1.525,1198 4.178,1199 4.199,1200 4.141,1201 4.106,1202 7.432,1203 4.111,1204 3.938,1205 3.955,1206 3.898,1207 3.865,1208 7.423,1209 3.869,1210 3.913,1211 3.94,1212 3.851,1213 3.854,1214 4.924,1215 3.85,1216 3.847,1217 3.878,1218 3.774,1219 3.794,1220 4.81,1221 3.785,1222 3.622,1223 3.652,1224 3.553,1225 3.511,1226 4.733,1227 3.517,1228 3.369,1229 3.403,1230 3.296,1231 3.15,1232 4.716,1233 3.179,1234 3.265,1235 3.315,1236 3.169,1237 3.094,1238 4.495,1239 3.104,1240 3.25,1241 3.313,1242 3.062,1243 2.963,1244 4.335,1245 2.973,1246 0.116,1247 0.101,1248 0.202,1249 0.114,1250 0.092,1251 5.203,1252 0.099,1253 4.565,1254 0.046,1255 9.075,1256 0.437,1257 5.128,1258 0.091,1259 4.135,1260 4.45,1261 2.081,1262 19.665,1263 4.106,1264 1.969,1265 1.945,1266 2.08,1267 2.039,1268 1.395,1269 2.054,1270 1.905,1271 1.88,1272 2.01,1273 1.983,1274 1.2,1275 1.993,1276 1.88,1277 1.872,1278 1.981,1279 1.978,1280 1.128,1281 1.968,1282 1.858,1283 1.83,1284 1.955,1285 1.937,1286 1.059,1287 1.954,1288 1.629,1289 1.606,1290 1.74,1291 1.776,1292 0.959,1293 1.758,1294 1.394,1295 1.346,1296 1.575,1297 1.595,1298 0.756,1299 1.59,1300 1.234,1301 1.185,1302 1.566,1303 1.522,1304 0.594,1305 1.538,1306 1.193,1307 1.123,1308 1.556,1309 1.52,1310 0.575,1311 1.533,1312 4.511,1314 5.905,1315 3.434,1316 7.532,1317 6.075,1318 9.272,1319 8.424,1320 11.08,1322 3.158,1328 0.374,1329 6.912,1330 11.198,1332 -0.637,1334 -2.438,1340 44.75,1341 95.357,1342 227.209,1343 283.309,1344 331.699,1345 359.309,1346 370.918,1347 82.181,1348 8.983,1349 76.66,1350 76.66,1351 39,1352 13.789,1353 4.755,1354 3.907,1355 49.586,1356 127,1357 161,1358 0.184,1359 264.154,1360 469.54,1361 636.296,1362 85987,1364 26.777,1365 0.687,1366 0.557,1367 26.777,1368 21.732,1369 19.046,1370 0.423,1371 0.292,1372 12.986,1373 18.502,1374 12.65,1375 10.409,1376 19.046,1377 13.132,1378 17.283,1379 0.25,1380 0.152,1381 17.283,1382 10.512,1383 16.572,1384 0.151,1385 0.081,1386 16.572,1387 8.871,1388 15.432,1389 0.09,1390 0.043,1391 15.432,1392 7.334,1393 13.804,1394 0.055,1395 0.023,1396 13.804,1397 5.761,1398 0.269,1399 118.451,1400 0.181,1401 33.154,1402 0.582,1403 228,1404 587.608,1405 242.516,1406 569.076,1407 796.84,1408 536,1409 293,1410 596.589,1411 309.819,1412 610.912,1413 919.08,1414 576,1415 5.291}
{0 CHEMBL1290043,1 1.516,2 9.275,3 5.498,4 30.229,5 152.703,6 8.225,7 0.522,8 4.325,9 4.417,10 3.987,11 3.96,12 5.445,13 3.94,14 4.882,15 5.005,16 4.437,17 4.426,18 5.938,19 4.394,20 5.191,21 5.331,22 4.673,23 4.659,24 6.277,25 4.614,26 5.406,27 5.562,28 4.797,29 4.8,30 6.516,31 4.752,32 5.556,33 5.721,34 4.927,35 4.917,36 6.754,37 4.866,38 5.596,39 5.762,40 4.983,41 5.004,42 6.774,43 4.932,44 5.654,45 5.841,46 4.942,47 4.961,48 6.832,49 4.88,50 5.513,51 5.705,52 4.675,53 4.777,54 6.645,55 4.671,56 0.042,57 0.857,58 11.334,59 6.079,60 10.75,61 7.272,62 0.243,63 1.484,64 22.938,65 10.894,66 34.535,67 13.026,68 0.376,69 2.028,70 33.714,71 15.126,72 53.237,73 18.542,74 0.466,75 2.513,76 45.61,77 18.49,78 82.395,79 22.211,80 0.958,81 2.852,82 56.091,83 21.713,84 145.798,85 25.771,86 0.633,87 2.952,88 58.474,89 23.918,90 111.352,91 29.503,92 0.889,93 3.086,94 66.217,95 25.469,96 142.484,97 31.113,98 0.953,99 2.637,100 61.311,101 22.639,102 131.068,103 27.735,104 30,105 71,106 0.235,107 0.551,108 0.687,109 0.804,110 0.864,111 0.882,112 3.719,113 0.888,114 -5.3,115 -5.18,116 -4.85,121 49.3,123 1,124 1,125 1,126 2,129 1,132 1,144 15,145 5,146 4,159 1,160 1,176 21,180 4,183 1,185 6,187 27,191 1,192 10,195 1,196 1,197 8,200 27,206 10,209 1,211 10,214 26,218 2,219 12,222 1,224 11,227 36,231 1,232 14,237 6,239 48,244 13,247 2,249 5,251 47,255 2,256 9,259 2,261 2,264 30,269 14,277 12,281 3104,282 27.627,283 27.627,284 27.627,285 27.627,286 27.627,287 24.514,288 31.904,289 15.732,290 28.133,291 22.544,292 22.544,293 22.544,294 22.544,295 22.544,296 17.763,297 42.012,298 7.203,299 23.211,300 4.55,301 2.514,302 1.638,303 0.883,304 0.5,305 0.381,306 4.44,308 1,312 1,313 826,314 3.808,317 232.031,318 420.644,321 280.643,325 1.253,326 48.888,329 0.75,330 0.67,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.75,337 85.333,338 371,339 5.205,340 4.566,341 9.075,342 5.129,343 4.137,344 4.454,345 2.081,346 19.67,347 4.106,348 4.506,349 3.845,350 7.448,351 4.224,352 3.23,353 4.116,354 1.277,355 12.875,356 3.208,357 4.34,358 3.418,359 6.729,360 4.031,361 3.052,362 3.881,363 0.86,364 10.767,365 2.99,366 4.081,367 3.188,368 6.335,369 3.73,370 2.768,371 3.58,372 0.86,373 9.41,374 2.665,375 4.009,376 3.052,377 6.064,378 3.625,379 2.666,380 3.507,381 0.818,382 8.605,383 2.537,384 3.758,385 2.91,386 5.998,387 3.388,388 2.413,389 3.137,390 0.467,391 8.179,392 2.344,393 3.476,394 2.67,395 5.818,396 3.121,397 2.135,398 2.71,399 0.076,400 7.296,401 2.089,402 3.245,403 2.545,404 5.228,405 2.883,406 1.89,407 2.451,409 5.743,410 1.872,411 3.133,412 2.323,413 5.177,414 2.796,415 1.814,416 2.302,418 5.279,419 1.775,420 3.052,421 2.195,422 4.982,423 2.736,424 1.758,425 2.182,427 5.175,428 1.708,429 2.886,430 1.94,431 4.456,432 2.455,433 1.47,434 2.047,436 3.784,437 1.447,438 2.844,439 1.741,440 4.376,441 2.359,442 1.414,443 1.971,445 3.628,446 1.358,447 2.839,448 1.529,449 4.121,450 2.348,451 1.354,452 1.97,454 3.003,455 1.271,456 2.665,457 1.499,458 3.895,459 2.293,460 1.347,461 1.654,463 2.949,464 1.23,465 2.5,466 1.315,467 3.644,468 2.089,469 1.108,470 1.5,472 2.752,473 1.083,474 19.348,475 0.484,476 1.059,477 0.026,478 54.25,479 1.356,480 28.5,481 0.713,482 25.75,483 0.644,484 41.784,485 1.045,486 40.652,487 0.607,488 51.777,489 1.294,490 10.672,491 0.267,492 8.785,493 0.22,494 0.123,495 0.052,496 0.336,501 0.703,502 1.017,503 0.621,504 0.875,505 0.566,506 0.81,507 0.89,508 0.979,509 0.701,510 0.821,511 0.658,512 0.808,513 0.786,514 1.119,515 0.816,516 1.003,517 0.894,518 0.958,519 1.09,520 1.133,521 0.981,522 1.035,523 1.283,524 0.991,525 1.194,526 0.928,527 0.947,528 0.869,529 1.372,530 0.878,531 0.872,532 1.038,533 0.986,534 1.021,535 1.04,536 0.991,537 1.093,538 0.987,539 1.006,540 0.994,541 1.354,542 0.987,543 1.127,544 1.014,545 1.256,546 1.097,547 1.161,548 1.112,549 8,550 0.127,551 6.889,552 5.535,553 4.423,554 3.364,555 2.04,556 1.111,557 0.846,558 0.358,559 20041,560 54001,561 2.166,562 40.3,563 2,564 22,567 2,569 1,572 1.816,573 2.017,574 3.098,575 0.075,582 101.581,583 1.516,584 3.552,585 4.428,586 5.183,587 5.566,588 5.685,589 2.589,590 5.122,591 5.29,592 3.295,593 2569.84,594 9.44,595 39383.4,600 406.428,601 1.618,602 5.243,603 0.174,604 0.005,605 0.097,606 0.064,607 0.046,608 0.031,609 0.018,610 0.011,611 0.011,612 0.007,613 0.466,614 0.17,615 0.75,616 0.724,617 212.718,618 -0.035,619 0.024,620 0.032,621 0.032,622 -0.041,623 0.053,624 -0.048,625 0.049,626 0.036,627 0.105,628 -0.035,629 0.084,630 0.073,631 -0.093,632 0.012,633 -0.064,634 -0.001,635 -0.044,636 -0.086,637 -0.093,638 -0.077,639 -0.094,640 -0.097,641 -0.075,642 -0.029,643 0.092,644 -0.002,645 0.086,646 0.019,647 0.051,648 0.02,649 -0.052,650 0.006,651 -0.04,652 0.069,653 -0.028,654 -0.01,655 -0.011,656 0.029,657 -0.003,658 -0.028,659 -0.008,660 0.004,661 -0.056,662 -0.129,663 -0.088,664 -0.061,665 -0.118,666 2.607,667 8.118,668 0.825,669 36.48,670 1.005,671 1.107,672 4.067,673 16.542,674 0.71,675 3.85,676 4.277,677 4.736,678 5.176,679 5.561,680 5.855,681 6.161,682 6.422,683 6.603,684 6.733,685 5.895,686 0.68,687 551.07,688 3.85,689 5.46,690 6.402,691 7.372,692 8.352,693 9.344,694 10.342,695 11.346,696 12.354,697 13.366,698 3,700 1,705 1,715 15,720 9,722 24,727 1,739 2,740 1,741 67,743 26,744 4,745 46,747 73,748 33,749 24,750 9,751 15,752 1,756 7,757 9,758 1,764 1,766 1,767 2,768 2,770 2,772 26,773 7,774 2,777 2,782 2,786 2,793 27,794 6,795 2,796 7,797 1,802 2,808 0.429,809 4,825 1,828 3,829 4,832 2,843 1,853 1,859 3,864 2,865 1,868 40,876 1,877 2,878 2,880 2,882 2,892 1,893 6,896 2,898 2,901 19.833,902 12.726,903 8.701,904 3.925,907 2.546,908 1.282,909 1.009,910 5.83,911 11.577,912 4.111,913 4.745,914 5.387,915 5.996,916 6.576,917 6.899,918 7.373,919 7.834,920 8.238,921 8.626,922 1,923 86,924 15.023,926 7.007,927 0.026,929 7.728,931 28.462,933 25.229,936 2.228,937 89.111,941 294.278,942 208.955,943 36.022,944 39.149,945 72.29,948 208.955,949 405.716,950 36.022,951 21.766,952 20.545,953 160.154,954 60.128,955 54.672,957 294.278,958 39.149,959 294.278,960 244.976,961 72.29,962 39.149,964 282.506,965 84.061,968 38.556,969 206.42,970 39.149,972 294.278,973 108.311,974 248.103,977 294.278,978 45.045,979 163.91,980 36.022,981 111.438,982 294.278,983 108.311,984 248.103,986 0.591,987 0.383,988 0.233,989 0.14,990 40,991 17,992 0.055,993 4,994 2,995 1.182,996 4.367,997 499.078,998 0.121,999 35,1000 206.122,1005 25.339,1006 9.202,1007 3.294,1009 108.311,1010 28.853,1015 6.152,1017 36.022,1018 650.692,1019 60,1024 29.507,1028 -0.365,1031 67.323,1032 74.176,1034 0.25,1035 0.586,1036 0.73,1037 0.854,1038 0.918,1039 0.937,1040 5.416,1041 1.89,1042 6.457,1043 7.296,1044 4.963,1045 5.434,1046 2.782,1047 7.498,1048 4.917,1049 6.661,1050 1.814,1051 8.161,1052 5.743,1053 4.844,1054 5.33,1055 1.796,1056 9.13,1057 4.785,1058 8.027,1059 1.758,1060 9.999,1061 5.279,1062 6.797,1063 7.644,1064 3.529,1065 12.434,1066 6.729,1067 9.439,1068 1.47,1069 11.928,1070 5.175,1071 7.591,1072 8.355,1073 3.441,1074 15.022,1075 7.519,1076 10.895,1077 1.414,1078 13.923,1079 3.784,1080 9.091,1081 10.168,1082 4.667,1083 18.037,1084 9.015,1085 12.384,1086 1.354,1087 15.968,1088 3.628,1089 10.264,1090 11.249,1091 5.007,1092 20.911,1093 10.186,1094 13.9,1095 1.347,1096 18.051,1097 3.003,1098 11.658,1099 12.861,1100 5.99,1101 23.887,1102 11.577,1103 4.137,1104 1.108,1105 20.164,1106 2.949,1107 12.976,1108 14.124,1109 6.528,1110 26.836,1111 12.892,1112 3.23,1113 19.67,1114 22.298,1115 2.752,1116 14.361,1117 15.649,1118 7.39,1119 29.811,1120 14.274,1121 3.052,1122 12.875,1123 24.449,1124 4.454,1125 15.734,1126 17.005,1127 8.024,1128 32.78,1129 15.643,1130 2.768,1131 10.767,1132 26.613,1133 4.116,1134 17.128,1135 18.493,1136 8.824,1137 35.757,1138 17.033,1139 2.666,1140 9.41,1141 28.787,1142 3.881,1143 18.525,1144 19.899,1145 9.506,1146 38.732,1147 18.423,1148 2.413,1149 8.605,1150 30.968,1151 3.58,1152 19.929,1153 21.372,1154 10.274,1155 41.71,1156 19.822,1157 2.135,1158 8.179,1159 33.154,1160 3.507,1161 21.336,1162 22.807,1163 10.98,1164 44.688,1165 21.223,1166 18626,1167 30665,1168 30.917,1169 47.585,1170 72.144,1171 74.534,1172 77.355,1173 71.498,1174 71.467,1175 91.144,1176 12.878,1177 232.542,1178 69.478,1179 6.183,1180 6.566,1181 8.877,1182 6.185,1183 6.137,1184 7.454,1185 3.618,1186 29.789,1187 6.106,1188 18.397,1189 1.568,1190 1.62,1191 1.682,1192 1.554,1193 1.554,1194 1.981,1195 0.28,1196 5.055,1197 1.51,1198 4.179,1199 4.199,1200 4.158,1201 4.108,1202 7.432,1203 4.112,1204 3.938,1205 3.955,1206 3.965,1207 3.867,1208 7.423,1209 3.869,1210 3.915,1211 3.939,1212 3.898,1213 3.858,1214 4.952,1215 3.855,1216 3.851,1217 3.877,1218 3.816,1219 3.803,1220 4.902,1221 3.793,1222 3.623,1223 3.652,1224 3.569,1225 3.512,1226 4.781,1227 3.518,1228 3.369,1229 3.403,1230 3.297,1231 3.15,1232 4.728,1233 3.179,1234 3.265,1235 3.315,1236 3.294,1237 3.094,1238 4.495,1239 3.104,1240 3.25,1241 3.313,1242 3.169,1243 2.963,1244 4.362,1245 2.973,1246 0.113,1247 0.099,1248 0.197,1249 0.112,1250 0.09,1251 5.205,1252 0.097,1253 4.566,1254 0.045,1255 9.075,1256 0.428,1257 5.129,1258 0.089,1259 4.137,1260 4.454,1261 2.081,1262 19.67,1263 4.106,1264 1.966,1265 1.945,1266 2.065,1267 2.032,1268 1.396,1269 2.047,1270 1.904,1271 1.88,1272 2.005,1273 1.982,1274 1.2,1275 1.991,1276 1.88,1277 1.872,1278 1.967,1279 1.978,1280 1.128,1281 1.968,1282 1.856,1283 1.831,1284 1.954,1285 1.93,1286 1.058,1287 1.947,1288 1.628,1289 1.607,1290 1.737,1291 1.774,1292 0.957,1293 1.756,1294 1.394,1295 1.346,1296 1.575,1297 1.594,1298 0.756,1299 1.59,1300 1.234,1301 1.185,1302 1.566,1303 1.522,1304 0.594,1305 1.538,1306 1.193,1307 1.123,1308 1.556,1309 1.52,1310 0.574,1311 1.533,1312 4.533,1314 5.932,1315 3.434,1316 7.562,1317 6.075,1318 9.303,1319 8.424,1320 11.111,1322 3.13,1323 6.925,1328 0.315,1329 6.862,1330 11.194,1332 -0.863,1334 -2.598,1340 45.578,1341 101.581,1342 238.002,1343 296.663,1344 347.267,1345 372.918,1346 380.918,1347 89.097,1348 9.031,1349 76.66,1350 76.66,1351 39,1352 13.819,1353 4.755,1354 3.907,1355 51.415,1356 131,1357 167,1358 0.185,1359 272.487,1360 484.75,1361 656.628,1362 90572,1363 1.5,1364 27.648,1365 0.691,1366 0.57,1367 28.148,1368 22.789,1369 19.457,1370 0.423,1371 0.296,1372 13.121,1373 18.62,1374 12.752,1375 10.466,1376 19.745,1377 13.615,1378 17.811,1379 0.251,1380 0.155,1381 18.182,1382 11.03,1383 17.053,1384 0.151,1385 0.082,1386 17.411,1387 9.297,1388 15.747,1389 0.089,1390 0.043,1391 16.036,1392 7.622,1393 14.101,1394 0.054,1395 0.023,1396 14.39,1397 6.029,1398 0.27,1399 124.09,1400 0.18,1401 33.77,1402 0.587,1403 234,1404 621.811,1405 264.035,1406 631.039,1407 868.79,1408 592,1409 301,1410 624.452,1411 329.529,1412 648.302,1413 975.71,1414 611,1415 5.137}
{0 CHEMBL1290152,1 1.516,2 9.3,3 5.498,4 30.229,5 152.703,6 8.225,7 0.522,8 4.325,9 4.417,10 3.987,11 3.96,12 5.445,13 3.94,14 4.882,15 5.005,16 4.437,17 4.426,18 5.941,19 4.394,20 5.191,21 5.331,22 4.648,23 4.654,24 6.275,25 4.608,26 5.401,27 5.562,28 4.769,29 4.788,30 6.5,31 4.741,32 5.552,33 5.722,34 4.906,35 4.903,36 6.747,37 4.854,38 5.592,39 5.762,40 4.942,41 4.991,42 6.755,43 4.919,44 5.653,45 5.841,46 4.879,47 4.95,48 6.815,49 4.866,50 5.507,51 5.706,52 4.688,53 4.768,54 6.629,55 4.667,56 0.042,57 0.857,58 11.334,59 6.079,60 10.709,61 7.272,62 0.243,63 1.484,64 22.938,65 10.894,66 34.839,67 13.026,68 0.387,69 2.029,70 34.189,71 15.134,72 53.87,73 18.541,74 0.44,75 2.53,76 43.084,77 18.301,78 79.196,79 22.218,80 0.962,81 2.865,82 53.842,83 21.483,84 144.243,85 25.779,86 0.618,87 2.969,88 56.423,89 23.737,90 110.727,91 29.51,92 0.882,93 3.097,94 66.366,95 25.468,96 142.514,97 31.112,98 0.879,99 2.665,100 55.83,101 22.304,102 125.013,103 27.749,104 30,105 71,106 0.235,107 0.551,108 0.697,109 0.805,110 0.841,111 0.859,112 3.719,113 0.888,114 -5.3,115 -5.18,116 -4.85,121 49.3,123 1,124 1,125 1,126 2,129 1,132 1,144 15,145 5,146 4,159 1,160 1,176 21,180 4,183 1,185 6,187 28,191 1,192 10,195 1,196 1,197 8,200 28,206 10,209 1,211 9,214 25,218 2,219 12,222 1,224 12,227 38,231 1,232 14,237 7,239 46,244 13,247 2,249 4,251 43,255 2,256 11,259 2,261 2,264 30,269 10,277 13,281 3128,282 27.575,283 27.575,284 27.575,285 27.575,286 27.575,287 24.49,288 33.249,289 15.711,290 28.106,291 22.56,292 22.56,293 22.56,294 22.56,295 22.56,296 17.786,297 43.749,298 7.239,299 23.261,300 4.55,301 2.514,302 1.576,303 0.881,304 0.649,305 0.53,306 4.44,308 1,312 1,313 828,314 3.808,317 233.704,318 421.797,321 281.954,325 1.28,326 48.365,329 0.75,330 0.67,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.75,337 85.333,338 372,339 5.204,340 4.566,341 9.075,342 5.129,343 4.136,344 4.457,345 2.081,346 19.666,347 4.106,348 4.511,349 3.844,350 7.441,351 4.224,352 3.23,353 4.131,354 1.277,355 12.831,356 3.209,357 4.295,358 3.353,359 6.675,360 4.003,361 3.019,362 3.783,363 0.86,364 10.606,365 2.977,366 4.051,367 3.179,368 6.325,369 3.729,370 2.763,371 3.518,372 0.86,373 9.386,374 2.667,375 3.888,376 3.028,377 6.018,378 3.495,379 2.51,380 3.425,381 0.818,382 8.234,383 2.477,384 3.838,385 2.815,386 5.929,387 3.443,388 2.483,389 3.227,390 0.467,391 8.043,392 2.366,393 3.524,394 2.746,395 5.64,396 3.14,397 2.187,398 2.815,399 0.076,400 6.918,401 2.085,402 3.295,403 2.558,404 5.212,405 2.902,406 1.955,407 2.522,409 5.897,410 1.868,411 3.231,412 2.475,413 5.098,414 2.854,415 1.869,416 2.44,418 5.684,419 1.776,420 3.118,421 2.198,422 4.927,423 2.774,424 1.793,425 2.289,427 4.999,428 1.742,429 3.034,430 2.073,431 4.741,432 2.665,433 1.673,434 2.152,436 4.719,437 1.602,438 2.882,439 1.869,440 4.457,441 2.452,442 1.46,443 2.026,445 3.706,446 1.446,447 2.671,448 1.535,449 4.308,450 2.3,451 1.351,452 1.661,454 3.22,455 1.264,456 2.5,457 1.32,458 3.995,459 2.093,460 1.112,461 1.5,463 2.793,464 1.087,465 2.5,466 1.247,467 3.649,468 2,469 1,470 1.5,472 2.482,473 1,474 19.348,475 0.484,476 1.076,477 0.027,478 54.25,479 1.356,480 28.5,481 0.713,482 25.75,483 0.644,484 41.476,485 1.037,486 40.652,487 0.607,488 51.722,489 1.293,490 10.656,491 0.266,492 8.784,493 0.22,494 0.123,495 0.052,496 0.336,501 0.703,502 1.017,503 0.621,504 0.875,505 0.567,506 0.81,507 0.89,508 0.979,509 0.701,510 0.821,511 0.65,512 0.808,513 0.797,514 1.125,515 0.865,516 1.035,517 0.906,518 0.985,519 1.024,520 1.136,521 0.835,522 1.007,523 1.242,524 0.975,525 1.115,526 0.936,527 0.814,528 0.858,529 1.323,530 0.871,531 0.826,532 1.044,533 0.9,534 1.019,535 1.02,536 0.997,537 1.113,538 0.993,539 1.056,540 1.028,541 1.385,542 1.023,543 1.008,544 1.007,545 0.946,546 0.994,547 1.061,548 1.035,549 8.5,550 0.185,551 6.667,552 5.41,553 4.468,554 3.308,555 1.81,556 1.214,557 0.823,558 0.404,559 20185,560 54801,561 2.166,562 40.3,563 2,564 22,567 2,569 1,572 1.816,573 2.017,574 3.116,575 0.075,582 101.581,583 1.516,584 3.552,585 4.49,586 5.185,587 5.417,588 5.536,589 2.599,590 4.972,591 5.289,592 3.312,593 2583.47,594 9.438,595 39676.8,600 406.428,601 1.618,602 5.243,603 0.185,604 0.007,605 0.094,606 0.064,607 0.047,608 0.031,609 0.017,610 0.012,611 0.011,612 0.008,613 0.475,614 0.17,615 0.75,616 0.724,617 213.005,618 -0.035,619 0.024,620 0.032,621 0.032,622 -0.042,623 0.053,624 -0.048,625 0.049,626 0.036,627 0.105,628 -0.028,629 0.084,630 0.062,631 -0.099,632 -0.038,633 -0.097,634 -0.013,635 -0.072,636 -0.065,637 -0.091,638 -0.038,639 -0.079,640 -0.083,641 -0.059,642 0.011,643 0.088,644 0.038,645 0.086,646 0.045,647 0.058,648 0.029,649 -0.054,650 0.005,651 -0.049,652 0.067,653 -0.033,654 -0.043,655 -0.015,656 -0.049,657 -0.041,658 -0.066,659 -0.045,660 0.056,661 -0.042,662 0.023,663 -0.003,664 -0.002,665 -0.04,666 2.634,667 8.101,668 0.825,669 37.32,670 1.005,671 1.107,672 4.067,673 16.542,674 0.71,675 3.85,676 4.277,677 4.727,678 5.17,679 5.561,680 5.855,681 6.161,682 6.426,683 6.609,684 6.742,685 5.947,686 0.68,687 551.07,688 3.85,689 5.46,690 6.399,691 7.368,692 8.346,693 9.338,694 10.335,695 11.339,696 12.346,697 13.358,698 3,700 1,705 1,715 15,720 9,722 24,727 1,739 2,740 1,741 67,743 26,744 4,745 46,747 73,748 33,749 24,750 9,751 15,752 1,756 7,757 9,758 1,764 1,766 1,767 2,768 2,770 2,772 26,773 7,774 2,777 2,782 2,786 2,793 27,794 6,795 2,796 7,797 1,802 2,808 0.429,809 4,825 1,828 3,829 4,832 2,843 1,853 1,859 3,864 2,865 1,868 40,876 1,877 2,878 2,880 2,882 2,892 1,893 6,896 2,898 2,901 19.833,902 12.726,903 8.674,904 3.918,907 2.531,908 1.279,909 1.009,910 5.83,911 11.589,912 4.111,913 4.745,914 5.38,915 5.994,916 6.585,917 6.91,918 7.384,919 7.843,920 8.243,921 8.63,922 1,923 85,924 15.016,926 6.996,927 0.026,929 7.728,931 28.462,933 25.225,936 2.228,937 89.111,941 294.278,942 208.955,943 36.022,944 39.149,945 72.29,948 208.955,949 405.716,950 36.022,951 21.766,952 20.545,953 160.154,954 60.128,955 54.672,957 294.278,958 39.149,959 294.278,960 244.976,961 72.29,962 39.149,964 282.506,965 84.061,968 38.556,969 206.42,970 39.149,972 294.278,973 108.311,974 248.103,977 294.278,978 45.045,979 163.91,980 36.022,981 111.438,982 294.278,983 108.311,984 248.103,986 0.592,987 0.378,988 0.23,989 0.141,990 40,991 17,992 0.055,993 4,994 2,995 1.182,996 4.384,997 497.315,998 0.121,999 35,1000 204.877,1005 25.339,1006 9.202,1007 3.355,1009 108.311,1010 29.053,1015 6.183,1017 36.022,1018 650.692,1019 60,1024 29.507,1028 -0.365,1031 67.323,1032 74.176,1034 0.25,1035 0.586,1036 0.74,1037 0.855,1038 0.893,1039 0.913,1040 5.416,1041 1.955,1042 6.454,1043 6.918,1044 4.963,1045 5.434,1046 2.782,1047 7.491,1048 4.917,1049 6.661,1050 1.869,1051 8.155,1052 5.897,1053 4.844,1054 5.33,1055 1.796,1056 9.118,1057 4.785,1058 8.026,1059 1.793,1060 9.989,1061 5.684,1062 6.792,1063 7.64,1064 3.529,1065 12.422,1066 6.727,1067 9.435,1068 1.673,1069 11.915,1070 4.999,1071 7.581,1072 8.339,1073 3.441,1074 15.014,1075 7.515,1076 10.888,1077 1.46,1078 13.909,1079 4.719,1080 9.081,1081 10.153,1082 4.667,1083 18.03,1084 9.011,1085 12.374,1086 1.351,1087 15.954,1088 3.706,1089 10.252,1090 11.222,1091 5.007,1092 20.907,1093 10.182,1094 13.888,1095 1.112,1096 18.039,1097 3.22,1098 11.647,1099 12.838,1100 5.99,1101 23.883,1102 11.573,1103 4.136,1104 1,1105 20.152,1106 2.793,1107 12.965,1108 14.094,1109 6.528,1110 26.833,1111 12.889,1112 3.23,1113 19.666,1114 22.288,1115 2.482,1116 14.352,1117 15.623,1118 7.39,1119 29.808,1120 14.271,1121 3.019,1122 12.831,1123 24.441,1124 4.457,1125 15.726,1126 16.977,1127 8.024,1128 32.778,1129 15.64,1130 2.763,1131 10.606,1132 26.607,1133 4.131,1134 17.122,1135 18.468,1136 8.824,1137 35.754,1138 17.03,1139 2.51,1140 9.386,1141 28.781,1142 3.783,1143 18.519,1144 19.876,1145 9.506,1146 38.73,1147 18.421,1148 2.483,1149 8.234,1150 30.963,1151 3.518,1152 19.924,1153 21.353,1154 10.274,1155 41.708,1156 19.82,1157 2.187,1158 8.043,1159 33.151,1160 3.425,1161 21.332,1162 22.791,1163 10.98,1164 44.685,1165 21.221,1166 18761,1167 31020,1168 30.917,1169 47.585,1170 72.224,1171 74.372,1172 77.002,1173 71.474,1174 71.452,1175 91.124,1176 12.878,1177 232.052,1178 69.461,1179 6.183,1180 6.566,1181 8.877,1182 6.184,1183 6.136,1184 7.457,1185 3.618,1186 29.782,1187 6.106,1188 18.525,1189 1.57,1190 1.617,1191 1.674,1192 1.554,1193 1.553,1194 1.981,1195 0.28,1196 5.045,1197 1.51,1198 4.179,1199 4.199,1200 4.16,1201 4.107,1202 7.432,1203 4.112,1204 3.94,1205 3.954,1206 3.971,1207 3.869,1208 7.423,1209 3.873,1210 3.914,1211 3.94,1212 3.868,1213 3.86,1214 4.955,1215 3.854,1216 3.847,1217 3.878,1218 3.774,1219 3.794,1220 4.906,1221 3.785,1222 3.626,1223 3.651,1224 3.667,1225 3.518,1226 4.783,1227 3.523,1228 3.373,1229 3.402,1230 3.427,1231 3.161,1232 4.716,1233 3.189,1234 3.268,1235 3.315,1236 3.207,1237 3.104,1238 4.495,1239 3.111,1240 3.25,1241 3.312,1242 3.062,1243 2.963,1244 4.443,1245 2.973,1246 0.113,1247 0.099,1248 0.197,1249 0.111,1250 0.09,1251 5.204,1252 0.097,1253 4.566,1254 0.045,1255 9.075,1256 0.428,1257 5.129,1258 0.089,1259 4.136,1260 4.457,1261 2.081,1262 19.666,1263 4.106,1264 1.969,1265 1.945,1266 2.079,1267 2.039,1268 1.395,1269 2.054,1270 1.901,1271 1.881,1272 2.003,1273 1.979,1274 1.2,1275 1.985,1276 1.88,1277 1.872,1278 1.958,1279 1.973,1280 1.128,1281 1.967,1282 1.856,1283 1.83,1284 1.943,1285 1.929,1286 1.059,1287 1.944,1288 1.628,1289 1.607,1290 1.735,1291 1.774,1292 0.957,1293 1.756,1294 1.394,1295 1.346,1296 1.575,1297 1.594,1298 0.755,1299 1.59,1300 1.234,1301 1.185,1302 1.566,1303 1.522,1304 0.594,1305 1.538,1306 1.193,1307 1.124,1308 1.556,1309 1.52,1310 0.575,1311 1.533,1312 4.533,1314 5.932,1315 3.434,1316 7.559,1317 6.075,1318 9.296,1319 8.424,1320 11.103,1322 3.134,1323 6.554,1328 0.33,1329 6.849,1330 11.195,1332 -0.731,1334 -2.598,1340 45.578,1341 101.581,1342 238.002,1343 300.805,1344 347.408,1345 362.918,1346 370.918,1347 88.223,1348 9.058,1349 76.66,1350 76.66,1351 39,1352 13.811,1353 4.755,1354 3.907,1355 51.429,1356 132,1357 167,1358 0.183,1359 272.487,1360 484.75,1361 656.628,1362 93789,1363 1.5,1364 27.648,1365 0.691,1366 0.57,1367 28.148,1368 22.789,1369 19.44,1370 0.423,1371 0.296,1372 13.115,1373 18.587,1374 12.743,1375 10.458,1376 19.729,1377 13.609,1378 17.917,1379 0.252,1380 0.156,1381 18.325,1382 11.093,1383 16.918,1384 0.151,1385 0.082,1386 17.18,1387 9.161,1388 15.621,1389 0.089,1390 0.043,1391 15.831,1392 7.523,1393 14.148,1394 0.055,1395 0.023,1396 14.456,1397 5.997,1398 0.268,1399 123.989,1400 0.18,1401 33.82,1402 0.58,1403 234,1404 621.811,1405 264.035,1406 631.233,1407 868.21,1408 592,1409 300,1410 623.452,1411 326.577,1412 647.56,1413 972.65,1414 610,1415 5.139}
{0 CHEMBL129108,1 1.274,2 15.947,3 9.71,4 94.274,5 163.12,6 6.631,7 0.512,8 4.429,9 4.559,10 3.947,11 4.069,12 5.298,13 3.983,14 5.029,15 5.219,16 4.293,17 4.506,18 5.82,19 4.377,20 5.351,21 5.609,22 4.427,23 4.662,24 6.071,25 4.501,26 5.327,27 5.575,28 4.402,29 4.649,30 6.061,31 4.475,32 5.308,33 5.544,34 4.27,35 4.651,36 6.006,37 4.464,38 5.381,39 5.637,40 4.094,41 4.642,42 6.023,43 4.428,44 5.427,45 5.726,46 3.911,47 4.558,48 5.992,49 4.311,50 5.301,51 5.618,52 3.752,53 4.388,54 5.832,55 4.135,56 0.088,57 1.093,58 19.241,59 8.321,60 10.753,61 11.551,62 0.18,63 1.925,64 37.112,65 15.261,66 20.634,67 20.945,68 0.299,69 2.562,70 52.74,71 20.355,72 33.326,73 28.038,74 0.376,75 2.57,76 55.062,77 19.989,78 35.529,79 27.019,80 0.298,81 2.48,82 53.492,83 20.597,84 28.831,85 27.482,86 0.267,87 2.545,88 53.183,89 21.896,90 29.014,91 30.128,92 0.27,93 2.545,94 53.931,95 22.464,96 30.63,97 31.455,98 0.251,99 2.219,100 48.154,101 19.678,102 26.647,103 27.516,105 58,106 0.194,107 0.46,108 0.62,109 0.767,110 0.848,111 0.886,112 3.667,113 1.119,114 -7.01,115 -6.81,116 -6.3,121 43,123 14,127 2,144 8,145 4,146 2,148 4,176 21,180 8,185 3,187 25,192 8,197 3,200 18,206 5,209 1,211 5,214 23,224 3,227 28,232 2,237 1,239 29,244 2,249 1,251 25,256 2,264 20,269 2,274 1,277 20,281 2696,282 26.932,283 26.932,284 26.932,285 26.932,286 26.932,287 24.357,288 19.132,289 16.646,290 27.287,291 21.356,292 21.356,293 21.356,294 21.356,295 21.356,296 17.308,297 15.526,298 7.989,299 21.952,300 5.03,301 3.281,302 2.233,303 1.266,304 0.734,305 0.481,306 4.395,313 1374,314 3.873,318 560.122,322 640.131,325 2.177,326 14.005,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.49,337 77.5,338 606,339 4.64,340 4.463,341 6.829,342 4.207,343 3.226,344 4.564,345 2.95,346 11.348,347 3.162,348 4.64,349 3.361,350 6.829,351 4.192,352 3.226,353 4.564,354 0.4,355 11.348,356 3.113,357 3.914,358 3.211,359 5.982,360 3.524,361 2.532,362 3.437,364 8.37,365 2.512,366 3.914,367 2.686,368 5.982,369 3.524,370 2.532,371 3.437,373 8.37,374 2.512,375 3.522,376 2.669,377 5.381,378 3.136,379 2.184,380 2.893,382 6.711,383 2.08,384 3.522,385 2.513,386 5.381,387 3.097,388 2.18,389 2.893,391 6.711,392 1.992,393 2.945,394 2.356,395 4.116,396 2.887,397 1.894,398 2.142,400 3.865,401 1.88,402 2.939,403 1.899,404 4.116,405 2.622,406 1.653,407 2.142,409 3.553,410 1.598,411 2.909,412 1.757,413 4,414 2.515,415 1.529,416 1.92,418 3.335,419 1.505,420 2.709,421 1.675,422 3.96,423 2.505,424 1.514,425 1.734,427 3.329,428 1.499,429 2.608,430 1.511,431 3.832,432 2.345,433 1.347,434 1.642,436 3.329,437 1.343,438 2.562,439 1.46,440 3.666,441 2.345,442 1.347,443 1.576,445 3.176,446 1.343,447 2.49,448 1.433,449 3.594,450 2.251,451 1.308,452 1.489,454 2.902,455 1.24,456 2.486,457 1.35,458 3.594,459 2.242,460 1.247,461 1.485,463 2.902,464 1.24,465 2.334,466 1.35,467 3.578,468 2.242,469 1.247,470 1.33,472 2.814,473 1.22,474 19.033,475 0.501,476 0.548,477 0.014,478 44,479 1.158,480 21,481 0.553,482 23,483 0.605,484 43.668,485 1.149,486 40.367,487 0.511,488 26.966,489 0.71,490 6.915,491 0.182,492 11.967,493 0.315,496 0.263,501 0.903,502 1.122,503 0.877,504 0.98,505 0.769,506 0.99,507 0.97,508 1.205,509 1.048,510 1.113,511 0.814,512 1.078,513 1.117,514 0.996,515 0.906,516 0.895,517 0.924,518 0.867,519 1.501,520 1.017,521 1.218,522 1.051,523 1.243,524 0.976,525 1.395,526 1.085,527 1.409,528 1.225,529 1.213,530 1.135,531 0.983,532 1.13,533 1.217,534 1.217,535 1.096,536 1.22,537 0.736,538 0.987,539 0.943,540 1.016,541 0.917,542 1.064,543 0.735,544 0.88,545 0.866,546 0.906,547 0.819,548 0.939,549 3.5,550 0.107,551 3.333,552 2.25,553 2.16,554 0.708,555 0.478,556 0.229,557 0.172,558 0.134,559 30459,560 55727,561 2.225,562 51.9,563 20,564 12,567 1,568 4,569 4,572 1.778,573 2.192,574 3.814,575 -0.505,582 100.61,583 1.274,584 3.023,585 4.07,586 5.038,587 5.57,588 5.823,589 3.005,590 3.616,591 5.232,592 4.122,593 2898.04,594 9.149,595 54919,600 497.999,601 0.831,602 5.222,603 0.081,604 0.004,605 0.057,606 0.036,607 0.037,608 0.013,609 0.011,610 0.007,611 0.006,612 0.005,613 0.257,614 0.33,615 0.5,617 218.283,618 0.052,619 0.002,620 0.083,621 0.057,622 0.173,623 0.057,624 0.039,625 -0.133,626 -0.017,627 -0.071,628 0.141,629 -0.056,630 0.09,631 0.032,632 0.144,633 0.112,634 0.176,635 0.119,636 -0.031,637 0.064,638 -0.005,639 0.024,640 -0.022,641 0.01,642 -0.228,643 -0.025,644 -0.207,645 -0.124,646 -0.22,647 -0.126,648 -0.167,649 -0.149,650 -0.233,651 -0.212,652 -0.236,653 -0.219,654 -0.032,655 -0.074,656 -0.064,657 -0.077,658 -0.107,659 -0.084,660 0.018,661 0.023,662 0.03,663 0.031,664 -0.018,665 0.034,666 0.52,667 2.003,668 0.737,669 41.008,670 0.977,671 1.118,672 5.775,673 33.353,674 0.673,675 3.784,676 4.078,677 4.407,678 4.727,679 5.024,680 5.094,681 5.226,682 5.323,683 5.375,684 5.209,685 10.107,686 0.611,687 523.85,688 3.784,689 5.313,690 6.176,691 7.055,692 7.941,693 8.834,694 9.729,695 10.628,696 11.528,697 12.431,698 3.8,703 1,708 2,714 4,715 8,716 2,720 6,722 22,734 1,741 79,743 22,744 2,745 43,747 84,748 34,749 18,750 4,751 8,756 6,757 12,767 8,770 14,772 18,773 16,793 41,794 3,795 1,796 4,797 1,802 3,808 0.333,822 2,829 6,833 4,859 2,860 1,862 1,868 38,876 16,877 1,879 1,901 17.333,902 13.983,903 8.472,904 5.763,907 4.634,908 1.519,909 1.024,910 8.586,911 13.563,912 4.007,913 4.605,914 5.263,915 5.911,916 6.538,917 6.871,918 7.251,919 7.595,920 7.89,921 7.693,922 0.9,923 63,924 14.17,926 6.011,927 0.026,929 7.263,931 28.992,933 25.158,936 1.763,937 67,941 470.844,942 172.145,943 51.582,947 32.22,948 139.925,949 470.844,950 51.582,952 38.489,953 75.81,954 51.582,955 25.626,957 503.064,959 470.844,960 191.507,962 32.22,964 423.76,965 47.084,968 48.291,969 91.635,970 51.582,971 32.22,972 470.844,973 51.582,974 172.145,977 470.844,978 96.335,979 75.81,980 18.011,981 33.571,982 470.844,983 51.582,984 172.145,986 0.562,987 0.336,988 0.202,989 0.118,990 28,991 10,992 0.131,993 11,994 4,995 1.286,996 5.128,997 364.265,998 0.286,999 28,1000 197.421,1001 1,1005 25.841,1006 12.626,1007 5.951,1008 5.001,1009 51.582,1010 17.426,1011 9.983,1015 8.628,1017 18.011,1018 694.571,1019 54,1031 77.17,1032 88.304,1034 0.202,1035 0.479,1036 0.646,1037 0.799,1038 0.884,1039 0.924,1040 5.234,1041 1.653,1042 6.12,1043 3.865,1044 4.762,1045 5.293,1046 2.93,1047 6.936,1048 4.708,1049 6.407,1050 1.529,1051 7.665,1052 3.553,1053 4.111,1054 5.094,1056 7.861,1057 4.029,1058 7.709,1059 1.514,1060 9.325,1061 3.335,1062 6.33,1063 7.56,1064 5.027,1065 11.05,1066 6.225,1067 9.059,1068 1.347,1069 11.059,1070 3.329,1071 6.635,1072 8.307,1074 12.888,1075 6.498,1076 10.454,1077 1.347,1078 12.843,1079 3.329,1080 8.224,1081 10.199,1082 7.185,1083 15.568,1084 8.07,1085 11.88,1086 1.308,1087 14.66,1088 3.176,1089 8.999,1090 11.369,1092 17.754,1093 8.81,1094 13.329,1095 1.247,1096 16.5,1097 2.902,1098 10.326,1099 13.036,1100 9.348,1101 20.269,1102 10.119,1103 3.226,1104 1.247,1105 18.356,1106 2.902,1107 11.322,1108 14.397,1110 22.595,1111 11.081,1112 3.226,1113 11.348,1114 20.224,1115 2.814,1116 12.545,1117 15.974,1118 11.511,1119 25.054,1120 12.283,1121 2.532,1122 11.348,1123 22.101,1124 4.564,1125 13.639,1126 17.421,1128 27.437,1129 13.344,1130 2.532,1131 8.37,1132 23.985,1133 4.564,1134 14.825,1135 18.961,1136 13.675,1137 29.877,1138 14.505,1139 2.184,1140 8.37,1141 25.874,1142 3.437,1143 15.961,1144 20.447,1146 32.285,1147 15.611,1148 2.18,1149 6.711,1150 27.768,1151 3.437,1152 17.134,1153 21.973,1154 15.838,1155 34.717,1156 16.758,1157 1.894,1158 6.711,1159 29.665,1160 2.893,1161 18.289,1162 23.476,1164 37.137,1165 17.883,1166 27290,1167 37086,1168 30.394,1169 53.131,1170 62.793,1171 66.624,1172 64.15,1173 63.007,1174 62.986,1175 80.032,1176 6.7,1177 175.726,1178 61.235,1179 5.608,1180 6.463,1181 6.753,1182 5.309,1183 5.226,1184 7.564,1185 5.9,1186 18.879,1187 5.162,1189 1.46,1190 1.549,1191 1.492,1192 1.465,1193 1.465,1194 1.861,1195 0.156,1196 4.087,1197 1.424,1198 4.131,1199 4.161,1200 4.155,1201 4.072,1202 4.984,1203 4.066,1204 4.083,1205 4.109,1206 4.067,1207 4.025,1208 4.947,1209 4.024,1210 3.778,1211 3.842,1212 3.715,1213 3.67,1214 4.413,1215 3.649,1216 3.732,1217 3.781,1218 3.619,1219 3.65,1220 4.403,1221 3.635,1222 3.731,1223 3.78,1224 3.611,1225 3.644,1226 4.265,1227 3.627,1228 3.587,1229 3.658,1230 3.56,1231 3.474,1232 4.136,1233 3.433,1234 3.364,1235 3.433,1236 3.333,1237 3.265,1238 4.006,1239 3.224,1240 3.25,1241 3.302,1242 3.138,1243 3.153,1244 3.975,1245 3.134,1246 0.108,1247 0.104,1248 0.159,1249 0.098,1250 0.075,1251 4.64,1252 0.106,1253 4.463,1254 0.069,1255 6.829,1256 0.264,1257 4.207,1258 0.074,1259 3.226,1260 4.564,1261 2.95,1262 11.348,1263 3.162,1264 2.072,1265 2.047,1266 2.159,1267 2.163,1268 1.441,1269 2.163,1270 2.067,1271 2.046,1272 2.143,1273 2.141,1274 1.435,1275 2.148,1276 1.791,1277 1.731,1278 2.037,1279 1.947,1280 1.399,1281 1.983,1282 1.754,1283 1.709,1284 1.949,1285 1.872,1286 1.218,1287 1.902,1288 1.754,1289 1.708,1290 1.948,1291 1.872,1292 1.149,1293 1.901,1294 1.601,1295 1.536,1296 1.858,1297 1.779,1298 1.133,1299 1.815,1300 1.364,1301 1.305,1302 1.616,1303 1.551,1304 0.918,1305 1.589,1306 1.26,1307 1.213,1308 1.467,1309 1.393,1310 0.759,1311 1.428,1312 4.466,1314 5.765,1316 7.287,1318 8.925,1320 10.63,1328 20.035,1329 3.836,1331 2.091,1340 48.26,1341 100.61,1342 238.779,1343 321.56,1344 397.999,1345 439.999,1346 459.999,1347 52.634,1348 8.928,1349 37.81,1350 63.11,1351 36,1352 12.952,1353 4.524,1354 3.585,1355 53.768,1356 245,1357 142,1358 0.104,1359 294.79,1360 504.11,1361 711.047,1362 149190,1364 25.572,1365 0.673,1366 0.62,1367 25.926,1368 23.552,1369 18.882,1370 0.439,1371 0.373,1372 15.096,1373 18.217,1374 14.697,1375 12.159,1376 19.336,1377 16.045,1378 16.038,1379 0.277,1380 0.211,1381 16.595,1382 12.228,1383 14.107,1384 0.174,1385 0.119,1386 14.804,1387 9.653,1388 12.46,1389 0.111,1390 0.068,1391 13.263,1392 7.664,1393 10.907,1394 0.072,1395 0.04,1396 11.682,1397 6.033,1398 0.174,1399 119.105,1400 0.181,1401 35.574,1402 0.259,1403 202,1404 390.483,1405 230.111,1406 415.927,1407 602.16,1408 398,1409 240,1410 451.381,1411 266.704,1412 474.339,1413 706.76,1414 454,1415 7.554}
{0 CHEMBL129306,1 1.335,2 13.042,3 2.438,4 5.945,5 99.814,6 5.938,7 0.231,8 4.084,9 4.223,10 3.457,11 3.558,12 4.929,13 3.498,14 4.711,15 4.927,16 3.747,17 3.969,18 5.484,19 3.869,20 5.03,21 5.297,22 3.722,23 4.122,24 5.74,25 3.961,26 5.044,27 5.349,28 3.501,29 4.045,30 5.684,31 3.831,32 4.857,33 5.166,34 3.433,35 3.923,36 5.444,37 3.719,38 4.758,39 5.035,40 3.382,41 3.82,42 5.474,43 3.639,44 4.631,45 4.919,46 3.315,47 3.675,48 5.346,49 3.51,50 4.45,51 4.701,52 3.25,53 3.549,54 5.276,55 3.422,56 0.073,57 0.779,58 14.429,59 5.579,60 6.97,61 8.106,62 0.239,63 1.274,64 26.474,65 8.879,66 17.555,67 13.5,68 0.352,69 1.536,70 35.11,71 11.869,72 29.565,73 17.91,74 0.452,75 1.443,76 34.553,77 11.973,78 32.479,79 18.027,80 0.188,81 1.238,82 28.048,83 10.672,84 17.266,85 15.848,86 0.305,87 1.101,88 26.283,89 9.466,90 25.757,91 13.813,92 0.207,93 0.969,94 23.035,95 8.011,96 22.308,97 11.923,98 0.238,99 0.831,100 19.892,101 6.573,102 24.053,103 9.677,104 2,105 33,106 0.225,107 0.457,108 0.654,109 0.759,110 0.805,111 0.805,112 3.226,113 1.112,114 -3.68,115 -3.65,116 -3.47,121 35.7,123 6,127 7,129 1,144 4,145 1,146 1,176 6,180 9,185 2,187 6,192 5,200 2,205 1,206 3,209 1,214 6,227 7,231 1,232 4,237 1,239 5,244 3,249 2,256 4,261 2,264 4,277 6,281 876,282 16.568,283 16.568,284 16.568,285 16.568,286 16.568,287 15.845,288 25.873,289 10.288,290 16.969,291 12.882,292 12.882,293 12.882,294 12.882,295 12.882,296 11.804,297 34.374,298 4.985,299 13.543,300 4.472,301 3.098,302 1.926,303 1.307,304 1.036,305 1.036,306 3.917,311 1,312 1,313 672,314 2.739,318 272.499,325 2.292,326 14.917,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 51,338 313,339 4.055,340 3.048,341 5.629,342 3.705,343 2.744,344 3.642,345 0.916,346 7.82,347 2.644,348 3.657,349 2.874,350 5.361,351 3.493,352 2.55,353 2.835,354 0.86,355 7.021,356 2.404,357 3.521,358 2.817,359 5.337,360 3.447,361 2.514,362 2.527,363 0.8,364 6.959,365 2.34,366 3.418,367 2.574,368 5.079,369 3.183,370 2.238,371 2.512,372 0.172,373 6.223,374 2.104,375 2.993,376 2.235,377 4.783,378 2.838,379 1.907,380 2.009,382 5.383,383 1.765,384 2.628,385 1.73,386 3.724,387 2.589,388 1.605,389 1.63,391 3.338,392 1.575,393 2.5,394 1.496,395 3.47,396 2.253,397 1.299,398 1.5,400 2.774,401 1.232,402 2.334,403 1.077,404 3.414,405 2,406 1,407 1.33,409 2.275,410 1,411 2,412 1.077,413 3.414,414 1.984,415 1,416 1,418 2.275,419 0.983,420 2,421 1,422 3.247,423 1.984,424 1,425 1,427 2.136,428 0.983,429 1.625,430 0.839,431 3.013,432 1.459,433 0.533,434 0.566,436 1.217,437 0.489,438 1.292,439 0.533,440 2.778,441 1.155,442 0.214,443 0.225,445 0.504,446 0.199,447 0.91,448 0.128,449 2.209,450 0.732,451 -0.211,452 -0.227,454 -0.471,455 -0.197,456 0.526,457 -0.234,458 2,459 0.419,460 -0.527,461 -0.548,463 -1.203,464 -0.493,465 0.5,466 -0.54,467 2,468 0.1,469 -0.839,470 -0.894,472 -2.004,473 -0.777,474 11.467,475 0.478,476 0.379,477 0.016,478 21.75,479 0.906,480 6.5,481 0.271,482 15.25,483 0.635,484 24.135,485 1.006,486 28.733,487 0.513,488 12.829,489 0.535,490 3.811,491 0.159,492 7.982,493 0.333,494 0.029,496 0.201,501 0.96,502 1.58,503 1.039,504 1.354,505 0.956,506 1.226,507 1.301,508 1.232,509 1.182,510 1.145,511 0.88,512 1.133,513 1.262,514 1.09,515 1.135,516 1.075,517 1.123,518 1.085,519 0.933,520 0.88,521 1.001,522 0.924,523 0.944,524 0.965,525 0.458,526 0.94,527 0.798,528 0.971,529 0.404,530 0.927,531 1.134,532 0.994,533 1.019,534 1.026,535 1.051,536 1.025,537 1.049,538 0.996,539 0.892,540 0.975,541 0.758,542 0.928,543 1.769,544 0.956,545 1.124,546 0.951,547 1.491,548 0.969,549 4,550 0.053,551 1.556,552 0.563,553 0.796,554 0.194,555 0.362,556 0.26,557 0.049,558 0.104,559 8036,560 14223,561 2.114,562 57.1,563 2,564 19,567 1,569 4,570 6,572 1.658,573 2.057,574 3.666,575 -0.383,576 1,577 1,582 74.773,583 1.335,584 2.709,585 3.881,586 4.5,587 4.772,588 4.772,589 3.126,590 3.772,591 4.554,592 3.839,593 1059.54,594 7.801,595 13714.2,597 1,599 1,600 325.212,601 0.974,602 4.551,603 0.154,604 0.004,605 0.047,606 0.019,607 0.035,608 0.008,609 0.017,610 0.013,611 0.003,612 0.006,613 0.306,614 0.5,615 1,616 0.382,617 119.18,618 0.005,619 -0.22,620 0.066,621 -0.074,622 -0.038,623 -0.011,624 -0.132,625 -0.025,626 -0.101,627 -0.066,628 -0.018,629 -0.073,630 -0.121,631 -0.057,632 -0.116,633 -0.078,634 -0.06,635 -0.093,636 0.028,637 0.057,638 -0.037,639 0.021,640 -0.028,641 -0.012,642 0.08,643 0.005,644 0.116,645 0.024,646 0.05,647 0.069,648 0.004,649 -0.042,650 -0.029,651 -0.026,652 -0.079,653 -0.034,654 0.009,655 -0.047,656 0.09,657 0.001,658 0.071,659 0.048,660 -0.178,661 0.051,662 -0.056,663 0.042,664 -0.067,665 0.012,666 1.429,667 3.569,668 0.75,669 26.833,670 0.984,671 1.136,672 2.451,673 6.007,674 0.613,675 3.296,676 3.526,677 3.689,678 3.85,679 4.06,680 3.892,681 3.97,682 4.043,683 4.043,684 4.143,685 7.581,686 0.56,687 332.54,688 3.296,689 4.779,690 5.572,691 6.389,692 7.194,693 8.011,694 8.822,695 9.64,696 10.454,697 11.272,698 3.6,701 2,715 4,720 2,722 6,739 1,741 56,743 6,744 1,745 26,747 58,748 20,749 6,750 2,751 4,756 3,757 3,767 6,770 7,772 6,773 14,790 1,793 32,794 4,795 1,796 4,802 2,808 1,809 2,811 1,829 3,855 2,857 1,859 3,868 24,875 1,876 13,878 1,880 1,881 2,893 3.6,894 1,898 1,901 11.667,902 9.433,903 5.417,904 3.806,907 1.13,908 1.165,909 0.92,910 7.092,911 7.963,912 3.401,913 3.773,914 4.115,915 4.487,916 4.931,917 4.835,918 5.014,919 5.208,920 5.296,921 5.477,922 0.889,923 30,924 8.971,926 3.685,927 0.026,929 7.403,931 18.215,933 15.239,936 1.903,937 45.667,938 0.001,940 1,941 364.904,942 78.768,943 6.249,945 53.683,948 78.768,949 418.587,950 6.249,952 32.434,953 80.588,955 25.678,957 364.904,959 364.904,960 85.016,961 53.683,964 247.193,965 128.711,966 42.683,968 38.682,969 46.334,972 364.904,973 59.932,974 78.768,977 364.904,978 40.863,979 44.154,981 53.683,982 364.904,983 59.932,984 78.768,986 0.56,987 0.306,988 0.157,989 0.09,990 14,991 5,992 0.121,993 7,995 1,996 3.945,997 173.057,999 18,1000 98.039,1005 17.874,1006 9.523,1007 6.145,1009 59.932,1010 8.528,1015 2.304,1017 42.683,1018 503.604,1019 29,1031 55.112,1032 63.643,1034 0.23,1035 0.466,1036 0.668,1037 0.775,1038 0.822,1039 0.822,1040 4.61,1041 1,1042 5.485,1043 2.774,1044 4.205,1045 4.454,1046 1.598,1047 6.133,1048 4.108,1049 5.681,1050 1,1051 6.934,1052 2.275,1053 3.434,1054 3.829,1055 0.57,1056 6.629,1057 3.233,1058 6.891,1059 1,1060 8.472,1061 2.275,1062 5.645,1063 6.279,1064 1.256,1065 9.641,1066 5.446,1067 8.122,1068 0.533,1069 10.06,1070 2.136,1071 5.673,1072 6.484,1073 0.581,1074 10.936,1075 5.364,1076 9.389,1077 0.214,1078 11.679,1079 1.217,1080 7.302,1081 8.428,1082 1.023,1083 13.389,1084 7.002,1085 10.675,1086 -0.211,1087 13.319,1088 0.504,1089 7.733,1090 9.047,1091 0.515,1092 15.033,1093 7.334,1094 11.977,1095 -0.527,1096 14.974,1097 -0.471,1098 9.07,1099 10.754,1100 0.84,1101 17.254,1102 8.675,1103 2.744,1104 -0.839,1105 16.638,1106 -1.203,1107 9.73,1108 11.611,1109 0.441,1110 19.076,1111 9.249,1112 2.55,1113 7.82,1114 18.309,1115 -2.004,1116 10.907,1117 13.184,1118 0.689,1119 21.191,1120 10.42,1121 2.514,1122 7.021,1123 19.985,1124 3.642,1125 11.7,1126 14.188,1127 0.373,1128 23.107,1129 11.142,1130 2.238,1131 6.959,1132 21.665,1133 2.835,1134 12.789,1135 15.673,1136 0.564,1137 25.173,1138 12.217,1139 1.907,1140 6.223,1141 23.349,1142 2.527,1143 13.661,1144 16.773,1145 0.314,1146 27.141,1147 13.03,1148 1.605,1149 5.383,1150 25.035,1151 2.512,1152 14.702,1153 18.198,1154 0.461,1155 29.186,1156 14.049,1157 1.299,1158 3.338,1159 26.723,1160 2.009,1161 15.621,1162 19.362,1163 0.264,1164 31.184,1165 14.918,1166 7651,1167 10267,1168 17.97,1169 34.341,1170 37.281,1171 37.379,1172 37.575,1173 37.287,1174 37.208,1175 41.552,1176 5.498,1177 95.846,1178 35.435,1179 5.055,1180 5.048,1181 5.431,1182 4.762,1183 4.744,1184 6.642,1185 1.776,1186 13.343,1187 4.644,1188 6.693,1189 1.434,1190 1.438,1191 1.445,1192 1.434,1193 1.431,1194 1.598,1195 0.211,1196 3.686,1197 1.363,1198 3.969,1199 4.011,1200 3.891,1201 3.872,1202 6.449,1203 3.872,1204 3.854,1205 3.923,1206 3.72,1207 3.7,1208 4.849,1209 3.694,1210 3.799,1211 3.844,1212 3.684,1213 3.652,1214 4.39,1215 3.651,1216 3.543,1217 3.608,1218 3.375,1219 3.386,1220 4.314,1221 3.373,1222 3.26,1223 3.323,1224 3.125,1225 3.061,1226 4.174,1227 3.067,1228 3.111,1229 3.206,1230 2.893,1231 2.941,1232 3.792,1233 2.91,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.674,1239 2.91,1240 3.068,1241 3.155,1242 2.866,1243 2.808,1244 3.539,1245 2.813,1246 0.156,1247 0.117,1248 0.216,1249 0.143,1250 0.106,1251 4.055,1252 0.14,1253 3.048,1254 0.035,1255 5.629,1256 0.301,1257 3.705,1258 0.102,1259 2.744,1260 3.642,1261 0.916,1262 7.82,1263 2.644,1264 1.923,1265 1.894,1266 2.07,1267 2.057,1268 1.418,1269 2.064,1270 1.836,1271 1.77,1272 2.058,1273 2.026,1274 1.386,1275 2.042,1276 1.778,1277 1.727,1278 1.967,1279 1.938,1280 1.173,1281 1.948,1282 1.551,1283 1.486,1284 1.826,1285 1.743,1286 1.118,1287 1.774,1288 1.216,1289 1.155,1290 1.513,1291 1.465,1292 0.825,1293 1.468,1294 1.153,1295 1.064,1296 1.513,1297 1.376,1298 0.825,1299 1.429,1300 1.153,1301 1.064,1302 1.47,1303 1.376,1304 0.704,1305 1.429,1306 1.031,1307 0.94,1308 1.37,1309 1.324,1310 0.633,1311 1.343,1312 3.97,1314 5.22,1316 6.658,1318 8.173,1320 9.725,1327 9.569,1328 14.499,1330 5.883,1332 -0.095,1333 4.979,1340 31.374,1341 74.773,1342 151.71,1343 217.363,1344 251.993,1345 267.212,1346 267.212,1347 38.128,1348 6.833,1349 35.94,1350 35.94,1351 18,1352 11.855,1353 2.807,1354 2,1355 39.778,1356 110,1357 94,1358 0.172,1359 193.236,1360 338.24,1361 463.256,1362 9102,1364 16.615,1365 0.692,1366 0.618,1367 16.615,1368 14.829,1369 11.793,1370 0.454,1371 0.371,1372 9.525,1373 11.375,1374 9.352,1375 7.704,1376 11.793,1377 9.64,1378 10.037,1379 0.304,1380 0.22,1381 10.037,1382 7.256,1383 7.968,1384 0.204,1385 0.134,1386 7.968,1387 5.223,1388 6.134,1389 0.133,1390 0.08,1391 6.134,1392 3.688,1393 5.164,1394 0.091,1395 0.048,1396 5.164,1397 2.749,1398 0.286,1399 73.467,1400 0.236,1401 24.566,1402 0.433,1403 118,1404 267.175,1405 127.81,1406 252.372,1407 342.66,1408 240,1409 131,1410 240.953,1411 141.146,1412 242.418,1413 351.29,1414 229,1415 5.638}
{0 CHEMBL12937,1 1.506,2 15,3 4.739,4 22.456,5 116.761,6 6.839,7 0.37,8 4.106,9 4.233,10 3.681,11 3.647,12 5.02,13 3.543,14 4.682,15 4.896,16 3.923,17 4.005,18 5.484,19 3.859,20 4.807,21 5.006,22 3.891,23 4.076,24 5.597,25 3.879,26 4.97,27 5.273,28 3.866,29 4.098,30 5.599,31 3.849,32 4.726,33 4.94,34 3.772,35 3.972,36 5.509,37 3.772,38 4.761,39 5.027,40 3.581,41 3.939,42 5.409,43 3.698,44 4.61,45 4.864,46 3.6,47 3.862,48 5.261,49 3.602,50 4.642,51 4.921,52 3.525,53 3.799,54 5.249,55 3.528,56 0.055,57 0.815,58 15.57,59 6.342,60 9.887,61 8.21,62 0.262,63 1.308,64 33.823,65 10.752,66 19.636,67 13.297,68 0.457,69 1.369,70 36.592,71 12.644,72 28.181,73 15.561,74 0.248,75 1.525,76 42.926,77 14.914,78 26.227,79 18.599,80 0.379,81 1.234,82 36.839,83 11.919,84 27.416,85 13.845,86 0.252,87 1.282,88 33.529,89 11.492,90 20.179,91 15.145,92 0.185,93 1.125,94 30.452,95 11.181,96 16.341,97 13.522,98 0.31,99 1.133,100 37.903,101 11.549,102 18.783,103 13.404,104 25,105 34,106 0.251,107 0.457,108 0.64,109 0.652,110 0.663,111 0.663,112 3.301,113 1.271,114 -3.32,115 -3.31,116 -3.17,121 34.5,123 2,126 4,127 6,144 4,154 4,176 3,180 4,187 2,191 2,192 4,200 4,206 2,214 2,219 2,227 3,232 4,239 4,251 2,256 4,264 2,269 2,277 2,281 1140,282 17.275,283 17.275,284 17.275,285 17.275,286 17.275,287 16.088,288 23.523,289 10.877,290 17.91,291 13.416,292 13.416,293 13.416,294 13.416,295 13.416,296 11.572,297 29.993,298 5.306,299 14.36,300 4.352,301 3.114,302 2.018,303 1.949,304 1.88,305 1.88,306 3.968,311 1,312 1,313 800,314 4.243,317 184.047,325 2.308,326 11.603,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 55,338 390,339 4.124,340 4.255,341 5.675,342 3.75,343 2.763,344 3.735,345 3.272,346 7.971,347 2.728,348 4.124,349 4.243,350 5.675,351 3.75,352 2.763,353 3.735,354 3.272,355 7.971,356 2.728,357 3.372,358 3,359 5.03,360 3.18,361 2.246,362 2.508,363 0.916,364 6.084,365 2.098,366 3.369,367 2.992,368 5.029,369 3.176,370 2.241,371 2.506,372 0.916,373 6.083,374 2.097,375 2.944,376 2.704,377 4.339,378 2.795,379 1.885,380 1.97,381 0.172,382 4.35,383 1.706,384 2.912,385 2.674,386 4.337,387 2.689,388 1.768,389 1.95,390 0.172,391 4.34,392 1.627,393 2.794,394 2.258,395 3.854,396 2.627,397 1.661,398 1.81,400 3.662,401 1.594,402 2.435,403 2.23,404 3.504,405 2.185,406 1.346,407 1.431,409 2.864,410 1.094,411 2.221,412 1.74,413 3.285,414 1.798,415 0.885,416 1.108,418 1.943,419 0.791,420 2.192,421 1.704,422 3.269,423 1.733,424 0.739,425 1.058,427 1.746,428 0.732,429 1.878,430 1.095,431 3.05,432 1.584,433 0.669,434 0.821,436 1.551,437 0.601,438 1.31,439 0.759,440 2.647,441 1.124,442 0.221,443 0.237,445 0.493,446 0.193,447 0.876,448 0.755,449 2.413,450 0.704,451 -0.233,452 -0.253,454 -0.588,455 -0.213,456 0.802,457 0.051,458 2.327,459 0.62,460 -0.331,461 -0.366,463 -0.876,464 -0.313,465 0.639,466 0.048,467 2.056,468 0.423,469 -0.479,470 -0.523,472 -1.157,473 -0.42,474 13.133,475 0.505,476 0.561,477 0.022,478 24,479 0.923,480 8,481 0.308,482 16,483 0.615,484 28.61,485 1.1,486 30.667,487 0.529,488 13.166,489 0.506,490 3.936,491 0.151,492 8.589,493 0.33,494 0.152,496 0.213,501 0.917,502 1.476,503 0.85,504 1.129,505 0.923,506 1.16,507 1.382,508 0.994,509 1.321,510 1.135,511 0.909,512 0.953,513 1.458,514 1.195,515 1.223,516 1.236,517 1.643,518 1.284,519 0.579,520 0.895,521 0.868,522 0.917,523 0.488,524 0.818,525 2.048,526 0.973,527 1.269,528 1.038,529 2.005,530 1.085,531 0.812,532 1.094,533 1.028,534 1.1,535 1.014,536 1.135,537 0.831,538 1.092,539 1.138,540 1.143,541 0.954,542 1.124,543 0.919,544 1.014,545 1.518,546 1.346,547 0.865,548 0.989,549 5.5,550 0.106,551 1.111,552 1.514,553 0.65,554 0.647,555 0.234,556 0.175,557 0.137,558 0.089,559 10009,560 22515,561 1.974,562 55.2,564 28,569 4,572 1.677,573 1.857,574 3.854,575 -0.76,582 87.324,583 1.506,584 2.744,585 3.84,586 3.909,587 3.978,588 3.978,589 3.239,590 3.547,591 4.674,592 4.069,593 1322.5,594 8.025,595 19491.5,597 1,600 339.763,601 1.335,602 4.634,603 0.204,604 0.007,605 0.033,606 0.056,607 0.023,608 0.026,609 0.012,610 0.009,611 0.008,612 0.005,613 0.382,614 0.33,615 0.88,616 1.166,617 135.514,618 0.048,619 -0.24,620 0.098,621 -0.048,622 0.05,623 -0.04,624 -0.126,625 0.182,626 -0.086,627 0.005,628 0.112,629 0.069,630 -0.026,631 -0.148,632 -0.157,633 -0.166,634 -0.27,635 -0.256,636 0.115,637 0.036,638 0.167,639 0.1,640 0.274,641 0.167,642 -0.339,643 0.046,644 -0.142,645 0.037,646 -0.415,647 -0.085,648 -0.041,649 -0.114,650 -0.073,651 -0.111,652 -0.175,653 -0.134,654 -0.04,655 -0.087,656 -0.019,657 -0.025,658 -0.095,659 -0.085,660 -0.009,661 0.016,662 -0.089,663 -0.077,665 0.039,666 0.631,667 2.334,668 0.385,669 30.296,670 0.987,671 1.129,672 2.093,673 4.379,674 0.649,675 3.332,676 3.555,677 3.638,678 3.85,679 3.784,680 3.807,681 3.784,682 3.555,683 3.526,684 3.497,685 8.925,686 0.582,687 396.68,688 3.332,689 4.812,690 5.58,691 6.402,692 7.189,693 8.017,694 8.815,695 9.646,696 10.451,697 11.282,698 3.4,701 2,715 4,718 2,720 4,722 10,741 58,743 10,745 27,747 59,748 20,749 8,756 2,757 2,770 2,772 8,773 12,792 2,793 32,794 4,796 6,797 2,802 2,808 1,809 2,828 2,855 2,859 2,860 2,862 2,864 4,868 26,876 8,879 2,881 2,893 3.4,898 2,901 14,902 11.4,903 5.917,904 3.306,907 1.539,908 1.233,909 0.923,910 10.114,911 8.146,912 3.497,913 3.942,914 4.327,915 4.829,916 4.806,917 4.887,918 4.929,919 4.572,920 4.562,921 4.551,922 0.9,923 27,924 9.638,926 3.739,927 0.026,929 7.397,931 19.248,933 14.944,936 1.897,937 49.333,939 1,940 1,941 376.675,942 170.604,943 6.249,945 19.015,947 64.439,948 106.165,949 395.69,950 6.249,951 33.586,952 12.879,953 37.905,955 25.263,956 21.795,957 441.114,959 376.675,960 112.414,961 19.015,962 64.439,964 329.591,965 66.099,968 19.128,969 93.286,971 64.439,972 376.675,973 25.263,974 170.604,977 376.675,978 99.114,979 77.739,981 19.015,982 376.675,983 25.263,984 170.604,986 0.555,987 0.277,988 0.154,989 0.075,990 12,991 6,992 0.22,993 13,995 1,996 4.11,997 178.788,999 10,1000 92.211,1001 2,1005 21.803,1006 12.061,1007 9.331,1009 25.263,1010 8.39,1013 11.669,1015 4.28,1018 572.543,1019 32,1031 57.265,1032 65.483,1034 0.257,1035 0.468,1036 0.656,1037 0.667,1038 0.679,1039 0.679,1040 4.687,1041 1.346,1042 5.509,1043 3.662,1044 4.234,1045 4.625,1046 3.847,1047 6.159,1048 4.125,1049 5.81,1050 0.885,1051 6.959,1052 2.864,1053 3.611,1054 4.205,1055 0.57,1056 6.676,1057 3.519,1058 7.045,1059 0.739,1060 8.498,1061 1.943,1062 5.666,1063 6.608,1064 6.135,1065 9.697,1066 5.502,1067 8.312,1068 0.669,1069 10.087,1070 1.746,1071 5.832,1072 7.09,1073 0.674,1074 11.046,1075 5.709,1076 9.616,1077 0.221,1078 11.71,1079 1.551,1080 7.335,1081 8.911,1082 8.5,1083 13.521,1084 7.148,1085 10.943,1086 -0.233,1087 13.356,1088 0.493,1089 7.897,1090 9.825,1091 0.66,1092 15.246,1093 7.753,1094 12.291,1095 -0.331,1096 15.019,1097 -0.588,1098 9.148,1099 11.382,1100 10.87,1101 17.498,1102 8.954,1103 2.763,1104 -0.479,1105 16.696,1106 -0.876,1107 9.922,1108 12.507,1109 0.611,1110 19.404,1111 9.762,1112 2.763,1113 7.971,1114 18.382,1115 -1.157,1116 11.05,1117 13.939,1118 13.241,1119 21.558,1120 10.853,1121 2.246,1122 7.971,1123 20.076,1124 3.735,1125 11.938,1126 15.165,1127 0.55,1128 23.551,1129 11.762,1130 2.241,1131 6.084,1132 21.776,1133 3.735,1134 13.006,1135 16.538,1136 15.613,1137 25.661,1138 12.804,1139 1.885,1140 6.083,1141 23.481,1142 2.508,1143 13.954,1144 17.811,1145 0.487,1146 27.696,1147 13.761,1148 1.768,1149 4.35,1150 25.19,1151 2.506,1152 14.994,1153 19.156,1154 17.984,1155 29.786,1156 14.781,1157 1.661,1158 4.34,1159 26.904,1160 1.97,1161 15.973,1162 20.452,1163 0.427,1164 31.842,1165 15.762,1166 10002,1167 15122,1168 17.682,1169 37.637,1170 38.907,1171 44.524,1172 38.945,1173 38.379,1174 38.377,1175 45.741,1176 17.445,1177 98.117,1178 35.981,1179 5.075,1180 6.017,1181 5.566,1182 4.874,1183 4.763,1184 6.347,1185 6.545,1186 13.549,1187 4.616,1188 14.346,1189 1.441,1190 1.649,1191 1.442,1192 1.421,1193 1.421,1194 1.694,1195 0.646,1196 3.634,1197 1.333,1198 3.966,1199 3.981,1200 4.016,1201 3.836,1202 5.044,1203 3.835,1204 3.929,1205 3.941,1206 3.956,1207 3.79,1208 5.024,1209 3.8,1210 3.669,1211 3.727,1212 3.754,1213 3.593,1214 4.277,1215 3.539,1216 3.546,1217 3.632,1218 3.675,1219 3.375,1220 4.266,1221 3.331,1222 3.539,1223 3.624,1224 3.381,1225 3.308,1226 4.111,1227 3.311,1228 3.269,1229 3.316,1230 3.349,1231 3.216,1232 3.785,1233 3.136,1234 3.069,1235 3.138,1236 3.095,1237 2.986,1238 3.622,1239 2.916,1240 2.91,1241 3.009,1242 2.681,1243 2.744,1244 3.619,1245 2.714,1246 0.153,1247 0.158,1248 0.21,1249 0.139,1250 0.102,1251 4.124,1252 0.138,1253 4.255,1254 0.121,1255 5.675,1256 0.295,1257 3.75,1258 0.101,1259 2.763,1260 3.735,1261 3.272,1262 7.971,1263 2.728,1264 1.711,1265 1.67,1266 1.912,1267 1.883,1268 1.303,1269 1.892,1270 1.647,1271 1.59,1272 1.869,1273 1.881,1274 1.034,1275 1.88,1276 1.646,1277 1.589,1278 1.867,1279 1.836,1280 1.034,1281 1.88,1282 1.561,1283 1.539,1284 1.695,1285 1.686,1286 0.991,1287 1.712,1288 1.497,1289 1.457,1290 1.681,1291 1.649,1292 0.898,1293 1.663,1294 1.313,1295 1.249,1296 1.544,1297 1.531,1298 0.721,1299 1.543,1300 1.288,1301 1.226,1302 1.529,1303 1.53,1304 0.66,1305 1.534,1306 1.126,1307 1.076,1308 1.417,1309 1.318,1310 0.634,1311 1.376,1312 4.007,1314 5.252,1315 3.045,1316 6.629,1317 5.283,1318 8.076,1319 7.248,1320 9.567,1322 8.236,1328 8.585,1331 3.924,1333 4.248,1340 33.749,1341 87.324,1342 159.157,1343 222.743,1344 226.743,1345 230.743,1346 230.743,1347 46.618,1348 6.607,1349 32.76,1350 83.36,1351 10,1352 11.86,1353 3.459,1354 2.585,1355 55.902,1356 143,1357 108,1358 0.184,1359 219.964,1360 374.08,1361 528.472,1362 7249,1364 18.778,1365 0.722,1366 0.697,1367 19.485,1368 18.127,1369 12.525,1370 0.464,1371 0.424,1372 9.194,1373 11.052,1374 8.525,1375 7.2,1376 13.525,1377 11.437,1378 11.048,1379 0.325,1380 0.272,1381 12.044,1382 9.234,1383 7.384,1384 0.2,1385 0.157,1386 8.496,1387 5.827,1388 6.216,1389 0.135,1390 0.095,1391 7.265,1392 4.365,1393 3.956,1394 0.092,1395 0.07,1396 4.979,1397 2.993,1398 0.314,1399 88.345,1400 0.238,1401 26.712,1402 0.445,1403 122,1404 326.482,1405 171.129,1406 349.016,1407 462.54,1408 330,1409 132,1410 298.105,1411 175.255,1412 322.626,1413 458.92,1414 294,1415 6.678}
{0 CHEMBL12941,1 1.619,2 15.643,3 3.37,4 11.354,5 120.206,6 7.215,7 0.345,8 4.136,9 4.26,10 3.745,11 3.651,12 5.127,13 3.569,14 4.697,15 4.905,16 4,17 4.001,18 5.61,19 3.881,20 4.816,21 4.997,22 4.019,23 4.055,24 5.753,25 3.905,26 4.977,27 5.267,28 3.941,29 4.092,30 5.717,31 3.879,32 4.762,33 4.962,34 3.849,35 3.959,36 5.71,37 3.809,38 4.778,39 5.03,40 3.809,41 3.965,42 5.625,43 3.733,44 4.588,45 4.823,46 3.725,47 3.806,48 5.484,49 3.617,50 4.686,51 4.961,52 3.568,53 3.807,54 5.494,55 3.565,56 0.025,57 0.851,58 14.966,59 6.115,60 8.434,61 7.828,62 0.325,63 1.324,64 34.117,65 10.289,66 24.337,67 12.685,68 0.568,69 1.376,70 36.464,71 11.221,72 40.038,73 14.24,74 0.281,75 1.502,76 42.47,77 14.25,78 34.391,79 18.208,80 0.523,81 1.246,82 34.847,83 10.699,84 45.469,85 12.862,86 0.466,87 1.32,88 40.589,89 12.273,90 39.224,91 15.2,92 0.194,93 1.088,94 26.565,95 9.431,96 27.942,97 11.966,98 0.431,99 1.157,100 41.465,101 11.77,102 37.48,103 13.553,104 34,105 37,106 0.268,107 0.505,108 0.675,109 0.707,110 0.735,111 0.746,112 3.372,113 1.2,114 -2.08,115 -2.13,116 -2.12,121 33.9,126 4,127 7,144 4,154 4,160 1,176 2,180 4,183 1,191 2,192 5,197 2,200 2,206 2,214 2,219 1,231 1,232 3,235 2,237 2,239 1,244 1,249 2,255 1,256 1,268 1,269 3,272 2,277 2,281 1452,282 18.43,283 18.43,284 18.43,285 18.43,286 18.43,287 17.088,288 26.344,289 11.436,290 19.076,291 14.382,292 14.382,293 14.382,294 14.382,295 14.382,296 12.236,297 32.674,298 5.546,299 15.335,300 4.263,301 2.83,302 1.806,303 1.611,304 1.441,305 1.373,306 4.037,311 1,312 1,313 897,314 4.583,317 202.093,325 2.551,326 20.341,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 60.5,338 438,339 4.124,340 4.327,341 5.676,342 3.751,343 2.764,344 3.735,345 3.578,346 7.972,347 2.729,348 4.124,349 4.25,350 5.675,351 3.75,352 2.763,353 3.735,354 3.272,355 7.971,356 2.728,357 3.659,358 3.509,359 5.063,360 3.363,361 2.386,362 2.829,363 1.844,364 6.172,365 2.319,366 3.37,367 2.997,368 5.03,369 3.177,370 2.243,371 2.507,372 0.916,373 6.084,374 2.097,375 3.362,376 2.969,377 4.998,378 3.166,379 2.222,380 2.5,381 0.916,382 5.993,383 2.093,384 2.919,385 2.691,386 4.338,387 2.702,388 1.793,389 1.954,390 0.293,391 4.343,392 1.631,393 2.903,394 2.614,395 4.335,396 2.674,397 1.735,398 1.943,399 0.172,400 4.329,401 1.621,402 2.62,403 2.249,404 3.697,405 2.432,406 1.521,407 1.62,408 0.172,409 3.273,410 1.354,411 2.274,412 2.203,413 3.377,414 1.917,415 1.096,416 1.219,418 2.406,419 0.877,420 2.213,421 1.735,422 3.28,423 1.769,424 0.805,425 1.088,427 1.834,428 0.768,429 2.127,430 1.693,431 3.254,432 1.69,433 0.714,434 1.005,436 1.7,437 0.69,438 1.827,439 1.346,440 2.97,441 1.518,442 0.618,443 0.726,445 1.389,446 0.542,447 1.041,448 0.76,449 2.583,450 0.861,451 -0.042,452 -0.045,454 -0.101,455 -0.037,456 1.029,457 0.758,458 2.404,459 0.737,460 -0.216,461 -0.244,463 -0.527,464 -0.199,465 0.785,466 0.2,467 2.315,468 0.58,469 -0.361,470 -0.399,472 -0.943,473 -0.338,474 13.867,475 0.495,476 0.667,477 0.024,478 27.25,479 0.973,480 9.5,481 0.339,482 17.75,483 0.634,484 29.229,485 1.044,486 32.933,487 0.558,488 17.838,489 0.637,490 4.948,491 0.177,492 8.471,493 0.303,494 0.168,496 0.238,501 0.858,502 1.514,503 0.819,504 1.126,505 0.649,506 1.128,507 1.171,508 0.997,509 1.296,510 1.128,511 0.65,512 0.923,513 1.463,514 1.218,515 1.159,516 1.231,517 1.468,518 1.285,519 0.633,520 0.908,521 0.778,522 0.878,523 0.706,524 0.818,525 1.999,526 0.945,527 1.263,528 0.99,529 1.813,530 1.048,531 0.535,532 1.155,533 1.156,534 1.253,535 0.614,536 1.158,537 0.989,538 1.152,539 0.867,540 0.984,541 1.419,542 1.081,543 0.841,544 1.001,545 1.648,546 1.39,547 0.839,548 0.925,549 6.5,550 0.073,551 1.556,552 1.764,553 0.73,554 0.813,555 0.26,556 0.31,557 0.155,558 0.194,559 12055,560 30420,561 1.956,562 52.5,564 30,567 1,572 1.699,573 1.826,574 3.908,575 -0.288,577 1,582 95.548,583 1.619,584 3.053,585 4.077,586 4.272,587 4.442,588 4.509,589 3.352,590 4.593,591 4.779,592 4.134,593 1562.83,594 8.247,595 24230.9,597 1,600 347.076,601 1.405,602 4.732,603 0.224,604 0.004,605 0.042,606 0.059,607 0.024,608 0.029,609 0.011,610 0.013,611 0.007,612 0.009,613 0.422,614 0.33,615 0.88,616 1.159,617 149.165,618 -0.007,619 -0.258,620 0.087,621 -0.052,622 -0.015,623 -0.043,624 -0.083,625 0.185,626 -0.084,627 0.014,628 0.073,629 0.086,630 -0.085,631 -0.157,632 -0.137,633 -0.189,634 -0.22,635 -0.282,636 0.093,638 0.2,639 0.108,640 0.092,641 0.179,642 -0.369,643 0.072,644 -0.187,645 0.04,646 -0.293,647 -0.081,648 0.223,649 -0.135,650 -0.022,651 -0.134,652 0.158,653 -0.127,654 -0.047,655 -0.157,656 0.07,657 -0.002,658 -0.03,659 -0.08,660 0.071,661 0.026,662 -0.143,663 -0.066,664 0.155,665 0.113,666 1.6,667 4.921,668 0.357,669 34.98,670 0.997,671 1.132,672 0.853,673 0.728,674 0.65,675 3.401,676 3.638,677 3.714,678 3.912,679 3.85,680 3.892,681 3.871,682 3.714,683 3.714,684 3.689,685 9.261,686 0.593,687 425.68,688 3.401,689 4.89,690 5.659,691 6.485,692 7.272,693 8.101,694 8.897,695 9.728,696 10.531,697 11.361,698 5.1,701 2,705 1,715 4,718 2,720 4,722 10,741 59,743 11,745 29,747 60,748 20,749 8,756 2,757 2,772 9,773 11,777 1,782 1,786 1,790 1,792 2,793 31,794 6,795 1,796 8,797 2,802 3,808 1,809 3,828 2,843 1,855 2,859 2,860 2,862 2,864 4,868 28,876 7,877 1,879 2,881 2,893 5.1,896 1,898 2,901 15.333,902 11.567,903 6.333,904 3.16,907 1.516,908 1.226,909 0.922,910 10.583,911 8.234,912 3.584,913 4.034,914 4.391,915 4.868,916 4.846,917 4.952,918 5.012,919 4.802,920 4.922,921 4.864,922 1,923 30,924 10.375,926 4.076,927 0.026,929 7.607,931 20.216,933 15.542,936 2.107,937 59,940 1,941 353.133,942 172.345,943 24.259,945 44.16,947 64.439,948 107.906,949 397.293,950 24.259,951 33.586,952 27.927,953 37.905,954 29.85,955 25.263,956 21.795,957 417.572,959 353.133,960 132.166,961 44.16,962 64.439,964 353.133,965 44.16,968 34.175,969 97.99,971 64.439,972 353.133,973 68.419,974 172.345,977 353.133,978 100.855,979 77.739,980 18.011,981 44.16,982 353.133,983 68.419,984 172.345,986 0.561,987 0.281,988 0.151,989 0.073,990 13,991 7,992 0.217,993 13,995 1,996 4.256,997 199.257,999 10,1000 130.606,1001 2,1005 23.422,1006 12.651,1007 9.961,1009 68.419,1010 8.033,1013 11.521,1015 3.83,1017 18.011,1018 593.897,1019 35,1024 11.921,1028 0.067,1031 58.811,1032 66.776,1034 0.275,1035 0.519,1036 0.693,1037 0.726,1038 0.755,1039 0.767,1040 4.783,1041 1.521,1042 5.602,1043 4.329,1044 4.317,1045 4.718,1046 4.041,1047 6.26,1048 4.214,1049 5.921,1050 1.096,1051 7.062,1052 3.273,1053 3.761,1054 4.369,1055 1.738,1056 6.804,1057 3.695,1058 7.165,1059 0.805,1060 8.608,1061 2.406,1062 5.765,1063 6.698,1064 6.349,1065 9.796,1066 5.607,1067 8.44,1068 0.714,1069 10.202,1070 1.834,1071 5.969,1072 7.201,1073 3.55,1074 11.137,1075 5.864,1076 9.746,1077 0.618,1078 11.825,1079 1.7,1080 7.439,1081 8.98,1082 8.799,1083 13.597,1084 7.256,1085 11.072,1086 -0.042,1087 13.47,1088 1.389,1089 8.015,1090 9.893,1091 5.913,1092 15.307,1093 7.88,1094 12.416,1095 -0.216,1096 15.13,1097 -0.101,1098 9.246,1099 11.429,1100 11.277,1101 17.55,1102 9.052,1103 2.764,1104 -0.361,1105 16.801,1106 -0.527,1107 10.02,1108 12.547,1109 8.564,1110 19.443,1111 9.861,1112 2.763,1113 7.972,1114 18.481,1115 -0.943,1116 11.135,1117 13.968,1118 13.765,1119 21.59,1120 10.934,1121 2.386,1122 7.971,1123 20.169,1124 3.735,1125 12.017,1126 15.188,1127 11.274,1128 23.575,1129 11.837,1130 2.243,1131 6.172,1132 21.862,1133 3.735,1134 13.076,1135 16.555,1136 16.26,1137 25.68,1138 12.867,1139 2.222,1140 6.084,1141 23.561,1142 2.829,1143 14.018,1144 17.825,1145 13.977,1146 27.711,1147 13.817,1148 1.793,1149 5.993,1150 25.264,1151 2.507,1152 15.05,1153 19.166,1154 18.761,1155 29.798,1156 14.829,1157 1.735,1158 4.343,1159 26.971,1160 2.5,1161 16.023,1162 20.46,1163 16.662,1164 31.851,1165 15.804,1166 12055,1167 19314,1168 18.781,1169 38.336,1170 42.076,1171 48.118,1172 42.204,1173 41.305,1174 41.319,1175 49.723,1176 22.33,1177 106.934,1178 38.899,1179 5.082,1180 6.089,1181 5.449,1182 4.881,1183 4.764,1184 6.347,1185 7.135,1186 13.551,1187 4.616,1188 16.612,1189 1.451,1190 1.659,1191 1.455,1192 1.424,1193 1.425,1194 1.715,1195 0.77,1196 3.687,1197 1.341,1198 3.965,1199 3.981,1200 4.014,1201 3.829,1202 7.429,1203 3.833,1204 3.929,1205 3.942,1206 3.964,1207 3.792,1208 5.043,1209 3.8,1210 3.676,1211 3.727,1212 3.759,1213 3.531,1214 5.024,1215 3.497,1216 3.55,1217 3.634,1218 3.699,1219 3.411,1220 4.277,1221 3.347,1222 3.542,1223 3.626,1224 3.4,1225 3.305,1226 4.267,1227 3.312,1228 3.371,1229 3.411,1230 3.355,1231 3.25,1232 4.165,1233 3.217,1234 3.098,1235 3.161,1236 3.24,1237 2.99,1238 3.789,1239 2.935,1240 2.992,1241 3.069,1242 2.836,1243 2.83,1244 3.65,1245 2.808,1246 0.142,1247 0.149,1248 0.196,1249 0.129,1250 0.095,1251 4.124,1252 0.129,1253 4.327,1254 0.123,1255 5.676,1256 0.275,1257 3.751,1258 0.094,1259 2.764,1260 3.735,1261 3.578,1262 7.972,1263 2.729,1264 1.654,1265 1.617,1266 1.869,1267 1.882,1268 1.122,1269 1.882,1270 1.647,1271 1.591,1272 1.867,1273 1.882,1274 1.035,1275 1.88,1276 1.64,1277 1.587,1278 1.795,1279 1.836,1280 1.032,1281 1.848,1282 1.572,1283 1.552,1284 1.699,1285 1.694,1286 0.996,1287 1.724,1288 1.479,1289 1.434,1290 1.674,1291 1.656,1292 0.862,1293 1.662,1294 1.336,1295 1.277,1296 1.555,1297 1.532,1298 0.722,1299 1.55,1300 1.287,1301 1.226,1302 1.527,1303 1.529,1304 0.658,1305 1.535,1306 1.221,1307 1.176,1308 1.457,1309 1.45,1310 0.632,1311 1.465,1312 4.078,1314 5.333,1315 3.045,1316 6.718,1317 5.283,1318 8.168,1319 7.248,1320 9.66,1322 8.067,1328 5.121,1329 2.963,1331 3.331,1333 4.147,1340 34.958,1341 95.548,1342 180.11,1343 240.547,1344 252.056,1345 262.056,1346 266.056,1347 61.8,1348 6.718,1349 61.86,1350 112.46,1351 10,1352 11.94,1353 3.585,1354 2.807,1355 62.802,1356 158,1357 128,1358 0.186,1359 227.827,1360 391.23,1361 547.658,1362 8346,1364 20.355,1365 0.727,1366 0.672,1367 21.062,1368 18.828,1369 13.419,1370 0.463,1371 0.4,1372 9.321,1373 11.841,1374 8.659,1375 7.294,1376 14.419,1377 11.599,1378 12.023,1379 0.325,1380 0.249,1381 12.987,1382 9.198,1383 8.028,1384 0.201,1385 0.14,1386 9.239,1387 5.606,1388 6.645,1389 0.136,1390 0.082,1391 7.734,1392 4.017,1393 4.195,1394 0.091,1395 0.056,1396 5.244,1397 2.559,1398 0.315,1399 94.74,1400 0.231,1401 28.351,1402 0.451,1403 132,1404 404.551,1405 185.064,1406 419.535,1407 548.1,1408 394,1409 143,1410 351.432,1411 192.197,1412 374.926,1413 533.04,1414 342,1415 5.602}
{0 CHEMBL129542,1 1.264,2 12.391,3 3.923,4 15.388,5 98.231,6 5.755,7 0.24,8 4.056,9 4.202,10 3.413,11 3.551,12 4.84,13 3.478,14 4.692,15 4.918,16 3.681,17 3.959,18 5.397,19 3.842,20 4.997,21 5.277,22 3.645,23 4.103,24 5.61,25 3.922,26 4.996,27 5.309,28 3.436,29 4.018,30 5.55,31 3.795,32 4.817,33 5.123,34 3.387,35 3.905,36 5.387,37 3.696,38 4.74,39 5.027,40 3.328,41 3.808,42 5.39,43 3.613,44 4.596,45 4.888,46 3.216,47 3.654,48 5.232,49 3.47,50 4.41,51 4.679,52 3.132,53 3.521,54 5.089,55 3.366,56 0.073,57 0.77,58 14.232,59 5.542,60 6.946,61 8.166,62 0.22,63 1.267,64 25.854,65 8.844,66 16.275,67 13.567,68 0.278,69 1.521,70 33.159,71 11.797,72 21.365,73 17.825,74 0.316,75 1.415,76 31.961,77 11.71,78 20.5,79 17.544,80 0.163,81 1.216,82 26.531,83 10.534,84 14.934,85 15.444,86 0.264,87 1.099,88 25.225,89 9.487,90 19.577,91 13.789,92 0.185,93 0.957,94 21.815,95 7.912,96 15.504,97 11.707,98 0.189,99 0.816,100 18.57,101 6.505,102 13.938,103 9.616,105 31,106 0.214,107 0.413,108 0.597,109 0.692,110 0.751,111 0.782,112 3.186,113 1.148,114 -4.49,115 -4.42,116 -4.16,121 36.4,123 7,127 7,144 4,145 1,146 1,176 8,180 9,187 6,192 6,200 2,205 1,206 3,214 6,227 8,231 1,232 4,239 7,244 3,251 2,256 4,264 4,269 1,277 6,281 785,282 16.121,283 16.121,284 16.121,285 16.121,286 16.121,287 15.397,288 23.716,289 10.202,290 16.481,291 12.416,292 12.416,293 12.416,294 12.416,295 12.416,296 11.338,297 29.801,298 4.95,299 13,300 4.517,301 3.343,302 2.257,303 1.695,304 1.345,305 1.164,306 3.879,310 1,311 1,312 1,313 615,314 2.646,318 258.402,325 2.2,326 8.573,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 48,338 285,339 4.054,340 3.031,341 5.616,342 3.691,343 2.726,344 3.642,345 0.916,346 7.788,347 2.636,348 3.618,349 2.861,350 5.344,351 3.454,352 2.526,353 2.828,354 0.86,355 6.979,356 2.343,357 3.519,358 2.809,359 5.326,360 3.4,361 2.467,362 2.52,363 0.8,364 6.935,365 2.297,366 3.294,367 2.372,368 4.954,369 3.045,370 2.088,371 2.374,372 0.172,373 5.867,374 1.989,375 2.632,376 1.74,377 3.725,378 2.595,379 1.612,380 1.633,382 3.341,383 1.581,384 2.5,385 1.522,386 3.594,387 2.4,388 1.426,389 1.5,391 3.046,392 1.385,393 2.447,394 1.457,395 3.463,396 2.247,397 1.291,398 1.446,400 2.763,401 1.227,402 2.327,403 1.077,404 3.414,405 2,406 1,407 1.324,409 2.275,410 1,411 2,412 1.077,413 3.247,414 1.984,415 1,416 1,418 2.136,419 0.983,420 2,421 1,422 3.247,423 1.984,424 1,425 1,427 2.136,428 0.983,429 1.606,430 0.819,431 2.955,432 1.44,433 0.517,434 0.547,436 1.173,437 0.473,438 1.205,439 0.399,440 2.716,441 1.041,442 0.083,443 0.09,445 0.202,446 0.079,447 0.732,448 -0.132,449 2.189,450 0.588,451 -0.362,452 -0.382,454 -0.85,455 -0.342,456 0.5,457 -0.463,458 2,459 0.308,460 -0.66,461 -0.705,463 -1.421,464 -0.633,465 0.449,466 -0.784,467 1.663,469 -1,470 -1,472 -2.276,473 -0.946,474 11.133,475 0.484,476 0.273,477 0.012,478 21,479 0.913,480 6.5,481 0.283,482 14.5,483 0.63,484 22.91,485 0.996,486 27.267,487 0.496,488 11.436,489 0.497,490 3.529,491 0.153,492 7.87,493 0.342,496 0.162,501 0.94,502 1.592,503 1.067,504 1.368,505 0.838,506 1.247,507 1.562,508 1.213,509 1.221,510 1.129,511 1.121,512 1.134,513 1.296,514 1.075,515 1.108,516 1.059,517 1.075,518 1.065,519 1.003,520 0.88,521 0.983,522 0.919,523 1.013,524 0.945,525 0.569,526 0.965,527 0.854,528 0.996,529 0.811,530 0.956,531 1.298,532 0.976,533 1.008,534 1.007,535 1.627,536 1.002,537 1.357,538 0.996,539 0.968,540 0.979,541 1.506,542 0.956,543 1.974,544 0.922,545 1.107,546 0.92,547 2.007,548 0.951,549 3,550 0.037,551 1.111,552 0.5,553 0.604,554 0.139,555 0.281,556 0.198,557 0.037,558 0.068,559 7203,560 10910,561 2.146,562 58.2,563 4,564 18,569 8,570 2,572 1.646,573 2.123,574 3.603,575 -0.858,577 1,582 69.536,583 1.264,584 2.438,585 3.524,586 4.086,587 4.436,588 4.618,589 3.067,590 3.882,591 4.494,592 3.774,593 954.935,594 7.679,595 11933.5,597 1,599 1,600 317.975,601 0.667,602 4.503,603 0.12,604 0.003,605 0.036,606 0.018,607 0.027,608 0.006,609 0.014,610 0.011,611 0.002,612 0.005,613 0.242,614 0.5,615 1,617 112.37,618 0.09,619 -0.245,620 0.085,621 -0.1,622 0.162,623 -0.023,624 -0.142,625 -0.021,626 -0.108,627 -0.065,628 0.032,629 -0.078,630 -0.095,631 -0.05,632 -0.088,633 -0.069,634 0.019,635 -0.076,636 0.017,637 0.059,638 -0.018,639 0.026,640 0.003,641 0.005,642 0.083,643 -0.018,644 0.084,645 0.003,646 0.063,647 0.039,648 0.057,649 -0.035,650 -0.008,651 -0.016,652 -0.098,653 -0.021,654 -0.02,655 -0.048,656 0.033,657 -0.007,658 -0.076,659 0.013,660 -0.183,661 0.074,662 -0.045,663 0.064,664 -0.249,665 0.025,666 0.665,667 2.402,668 0.783,669 24.832,670 0.978,671 1.135,672 3.259,673 10.619,674 0.616,675 3.258,676 3.466,677 3.638,678 3.807,679 3.989,680 3.807,681 3.892,682 3.97,683 3.97,684 4.007,685 7.297,686 0.557,687 316.54,688 3.258,689 4.727,690 5.517,691 6.326,692 7.127,693 7.939,694 8.744,695 9.558,696 10.366,697 11.181,698 3.6,701 2,715 4,720 2,722 6,739 1,741 55,743 6,744 1,745 25,747 57,748 20,749 6,750 2,751 4,756 3,757 3,767 6,770 7,772 6,773 14,790 1,793 32,794 3,796 3,802 2,808 1,809 1,829 3,855 2,859 3,868 23,876 14,878 1,881 2,893 1.8,898 1,901 10.833,902 9.4,903 5.25,904 3.906,907 1.129,908 1.168,909 0.954,910 6.934,911 7.853,912 3.367,913 3.726,914 4.082,915 4.464,916 4.902,917 4.803,918 4.973,919 5.157,920 5.225,921 5.325,922 1,923 28,924 8.601,926 3.485,927 0.026,929 7.232,931 17.757,933 14.805,936 1.732,937 39.833,938 0.002,940 1,941 376.675,942 81.302,943 6.249,945 11,948 81.302,949 387.675,950 6.249,952 34.968,953 37.905,955 25.678,957 376.675,959 376.675,960 87.551,961 11,964 258.964,965 128.711,968 41.217,969 46.334,972 376.675,973 17.249,974 81.302,977 376.675,978 43.397,979 44.154,981 11,982 376.675,983 17.249,984 81.302,986 0.551,987 0.304,988 0.161,989 0.089,990 13,991 4,992 0.123,993 7,995 1,996 3.884,997 162.632,999 18,1000 92.042,1005 16.944,1006 9.412,1007 5.909,1009 17.249,1010 8.74,1015 2.429,1018 475.226,1019 28,1031 53.785,1032 62.434,1034 0.219,1035 0.422,1036 0.61,1037 0.707,1038 0.767,1039 0.799,1040 4.559,1041 1,1042 5.407,1043 2.763,1044 4.143,1045 4.407,1046 1.598,1047 6.038,1048 4.054,1049 5.614,1050 1,1051 6.838,1052 2.275,1053 3.219,1054 3.689,1055 0.57,1056 6.475,1057 3.023,1058 6.814,1059 1,1060 8.361,1061 2.136,1062 5.557,1063 6.233,1064 1.256,1065 9.53,1066 5.365,1067 8.039,1068 0.517,1069 9.939,1070 2.136,1071 5.485,1072 6.405,1073 0.581,1074 10.824,1075 5.175,1076 9.302,1077 0.083,1078 11.553,1079 1.173,1080 7.197,1081 8.395,1082 1.023,1083 13.285,1084 6.904,1085 10.589,1086 -0.362,1087 13.192,1088 0.202,1089 7.567,1090 9.005,1091 0.515,1092 14.943,1093 7.166,1094 11.893,1095 -0.66,1096 14.847,1097 -0.85,1098 8.953,1099 10.734,1100 0.84,1101 17.161,1102 8.563,1103 2.726,1104 -1,1105 16.513,1106 -1.421,1107 9.574,1108 11.589,1109 0.441,1110 18.995,1111 9.094,1112 2.526,1113 7.788,1114 18.187,1115 -2.276,1116 10.779,1117 13.171,1118 0.689,1119 21.105,1120 10.3,1121 2.467,1122 6.979,1123 19.867,1124 3.642,1125 11.548,1126 14.176,1127 0.373,1128 23.03,1129 10.995,1130 2.088,1131 6.935,1132 21.551,1133 2.828,1134 12.652,1135 15.666,1136 0.564,1137 25.092,1138 12.09,1139 1.612,1140 5.867,1141 23.238,1142 2.52,1143 13.508,1144 16.766,1145 0.314,1146 27.065,1147 12.887,1148 1.426,1149 3.341,1150 24.928,1151 2.374,1152 14.555,1153 18.194,1154 0.461,1155 29.106,1156 13.919,1157 1.291,1158 3.046,1159 26.619,1160 1.633,1161 15.463,1162 19.358,1163 0.264,1164 31.105,1165 14.779,1166 6817,1167 8484,1168 17.564,1169 33.887,1170 35.526,1171 35.725,1172 35.685,1173 35.521,1174 35.471,1175 39.809,1176 5.498,1177 89.281,1178 33.95,1179 5.054,1180 5.031,1181 5.418,1182 4.747,1183 4.726,1184 6.642,1185 1.776,1186 13.298,1187 4.636,1189 1.421,1190 1.429,1191 1.427,1192 1.421,1193 1.419,1194 1.592,1195 0.22,1196 3.571,1197 1.358,1198 3.967,1199 4.011,1200 3.889,1201 3.872,1202 4.849,1203 3.871,1204 3.854,1205 3.923,1206 3.72,1207 3.7,1208 4.396,1209 3.694,1210 3.791,1211 3.844,1212 3.663,1213 3.655,1214 4.331,1215 3.647,1216 3.543,1217 3.608,1218 3.373,1219 3.386,1220 4.223,1221 3.373,1222 3.241,1223 3.315,1224 3.091,1225 3.06,1226 3.804,1227 3.059,1228 3.111,1229 3.206,1230 2.868,1231 2.941,1232 3.674,1233 2.91,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.634,1239 2.91,1240 3.059,1241 3.152,1242 2.866,1243 2.808,1244 3.474,1245 2.809,1246 0.162,1247 0.121,1248 0.225,1249 0.148,1250 0.109,1251 4.054,1252 0.146,1253 3.031,1254 0.037,1255 5.616,1256 0.312,1257 3.691,1258 0.105,1259 2.726,1260 3.642,1261 0.916,1262 7.788,1263 2.636,1264 1.924,1265 1.894,1266 2.079,1267 2.057,1268 1.418,1269 2.067,1270 1.836,1271 1.77,1272 2.063,1273 2.026,1274 1.412,1275 2.043,1276 1.787,1277 1.729,1278 1.981,1279 1.937,1280 1.174,1281 1.953,1282 1.551,1283 1.486,1284 1.826,1285 1.743,1286 1.124,1287 1.775,1288 1.221,1289 1.152,1290 1.513,1291 1.452,1292 0.825,1293 1.47,1294 1.153,1295 1.064,1296 1.513,1297 1.376,1298 0.825,1299 1.429,1300 1.153,1301 1.064,1302 1.49,1303 1.376,1304 0.732,1305 1.429,1306 1.032,1307 0.939,1308 1.373,1309 1.319,1310 0.636,1311 1.343,1312 3.932,1314 5.165,1316 6.592,1318 8.098,1320 9.64,1328 17.617,1330 5.902,1333 5.145,1340 30.66,1341 69.536,1342 134.108,1343 193.843,1344 224.756,1345 243.975,1346 253.975,1347 30.174,1348 6.724,1349 15.71,1350 15.71,1351 18,1352 11.767,1353 2.807,1354 2,1355 37.308,1356 101,1357 86,1358 0.175,1359 189.24,1360 329.45,1361 453.505,1362 7939,1364 15.744,1365 0.685,1366 0.631,1367 15.744,1368 14.512,1369 11.399,1370 0.456,1371 0.383,1372 9.468,1373 11.052,1374 9.285,1375 7.693,1376 11.399,1377 9.565,1378 9.415,1379 0.304,1380 0.229,1381 9.415,1382 7.085,1383 7.557,1384 0.204,1385 0.138,1386 7.557,1387 5.114,1388 5.992,1389 0.136,1390 0.085,1391 5.992,1392 3.728,1393 4.873,1394 0.092,1395 0.051,1396 4.873,1397 2.722,1398 0.289,1399 70.527,1400 0.239,1401 23.677,1402 0.441,1403 112,1404 229.026,1405 119.706,1406 219.159,1407 304.14,1408 210,1409 124,1410 219.68,1411 132.485,1412 222.208,1413 322.1,1414 210,1415 5.495}
{0 CHEMBL129684,1 1.408,2 10.333,3 3.723,4 13.861,5 107.875,6 7.316,7 0.533,8 3.977,9 4.09,10 3.541,11 3.584,12 5.055,13 3.549,14 4.517,15 4.686,16 3.898,17 3.982,18 5.548,19 3.929,20 4.773,21 4.961,22 3.942,23 4.122,24 5.813,25 4.039,26 4.858,27 5.085,28 3.865,29 4.109,30 5.847,31 3.998,32 4.774,33 4.997,34 3.831,35 4.067,36 5.755,37 3.955,38 4.806,39 5.028,40 3.823,41 4.049,42 5.839,43 3.941,44 4.752,45 4.987,46 3.745,47 3.976,48 5.755,49 3.861,50 4.676,51 4.909,52 3.625,53 3.824,54 5.866,55 3.717,56 0.018,57 0.661,58 9.748,59 4.558,60 5.084,61 5.988,62 0.161,63 1.132,64 18.467,65 7.481,66 13.973,67 10.13,68 0.204,69 1.39,70 25.084,71 10.034,72 37.112,73 13.296,74 0.311,75 1.474,76 28.907,77 11.195,78 44.779,79 15.183,80 0.142,81 1.362,82 25.847,83 10.732,84 30.723,85 14.694,86 0.315,87 1.388,88 27.418,89 10.718,90 46.445,91 14.377,92 0.169,93 1.311,94 25.957,95 10.365,96 35.056,97 14.16,98 0.413,99 1.189,100 24.941,101 9.048,102 77,103 12.108,104 11,105 42,106 0.235,107 0.568,108 0.738,109 0.836,110 0.868,111 0.868,112 3.34,113 0.923,114 -3.91,115 -3.87,116 -3.67,121 46.9,122 1,123 1,127 3,137 1,138 1,144 9,145 3,153 1,154 1,158 1,160 1,176 13,179 1,180 10,187 14,192 7,200 10,205 1,206 9,214 10,219 6,227 12,231 2,232 6,239 11,244 6,251 9,255 2,256 8,264 8,269 3,277 7,281 1111,282 18.361,283 18.361,284 18.361,285 18.361,286 18.361,287 16.017,288 18.19,289 10.92,290 18.49,291 14.844,292 14.844,293 14.844,294 14.844,295 14.844,296 11.247,297 22.98,298 5.224,299 15.053,300 4.207,301 2.217,302 1.202,303 0.62,304 0.424,305 0.424,306 4.038,310 1,311 1,312 1,313 609,314 3,317 56.198,318 240.539,321 106.423,325 1.654,326 22.139,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 57,338 279,339 4.683,340 3.685,341 6.833,342 4.214,343 3.242,344 4.642,345 1.886,346 11.34,347 3.156,348 4.171,349 3.653,350 6.116,351 3.876,352 2.884,353 3.533,354 1.277,355 8.962,356 2.868,357 3.916,358 3.031,359 5.808,360 3.554,361 2.563,362 3.445,363 0.995,364 7.717,365 2.537,366 3.759,367 2.978,368 5.521,369 3.375,370 2.379,371 3.128,372 0.359,373 7.394,374 2.358,375 3.396,376 2.482,377 5.079,378 3.042,379 2.083,380 2.72,382 5.925,383 1.993,384 3.247,385 2.173,386 4.97,387 2.936,388 1.935,389 2.336,391 5.628,392 1.924,393 2.937,394 1.825,395 4.248,396 2.454,397 1.445,398 2.079,400 3.825,401 1.454,402 2.869,403 1.761,404 4.064,405 2.423,406 1.414,407 1.94,409 3.351,410 1.419,411 2.824,412 1.519,413 3.594,414 2.41,415 1.414,416 1.886,418 3.036,419 1.406,420 2.585,421 1.202,422 3.59,423 2.123,424 1.129,425 1.577,427 2.754,428 1.12,429 2.5,430 1.074,431 3.377,432 2,433 1,434 1.5,436 2.136,437 1,438 2.162,439 1,440 3.247,441 1.707,442 0.716,443 0.989,445 1.78,446 0.706,447 1.657,448 0.916,449 2.944,450 1.334,451 0.312,452 0.387,454 0.739,455 0.315,456 1.22,457 0.311,458 2.864,459 0.918,460 -0.058,461 -0.071,463 -0.159,464 -0.056,465 0.893,466 0.235,467 2.36,468 0.552,469 -0.462,470 -0.571,472 -1.14,473 -0.466,474 12.967,475 0.48,476 0.644,477 0.024,478 35.5,479 1.315,480 18.5,481 0.685,482 17,483 0.63,484 21.2,485 0.785,486 27.833,487 0.568,488 26.49,489 0.981,490 7.22,491 0.267,492 5.894,493 0.218,494 0.09,496 0.332,501 0.604,502 1.244,503 0.773,504 1.028,505 0.505,506 0.936,507 0.771,508 1.045,509 0.884,510 0.924,511 0.549,512 0.904,513 1.167,514 1.124,515 1.095,516 1.073,517 1.077,518 1.072,519 1.07,520 0.967,521 1.03,522 0.966,523 1.074,524 0.989,525 0.741,526 1.09,527 0.94,528 1.09,529 0.702,530 1.046,531 1.107,532 0.959,533 1.035,534 1,535 1.217,536 1.011,537 0.909,538 1.088,539 0.949,540 1.078,541 0.906,542 1.028,543 1.315,544 0.939,545 1.069,546 0.961,547 1.348,548 0.982,549 5,550 0.102,551 2.667,552 2.139,553 1.437,554 0.723,555 0.673,556 0.438,557 0.253,558 0.166,559 8929,560 21855,561 2.12,562 44.9,564 16,565 1,568 5,572 1.703,573 2,574 3.355,575 -0.843,577 1,582 68.971,583 1.408,584 3.398,585 4.413,586 4.995,587 5.191,588 5.191,589 2.756,590 4.459,591 4.727,592 3.518,593 1234.69,594 8.216,595 15766.6,597 1,599 1,600 275.121,601 1.352,602 4.694,603 0.167,604 0.006,605 0.063,606 0.051,607 0.038,608 0.02,609 0.019,610 0.013,611 0.009,612 0.008,613 0.393,614 0.67,615 1,616 0.704,617 133.318,618 0.011,619 -0.154,620 0.06,621 -0.037,622 -0.02,623 0.005,624 0.028,625 0.056,626 0.02,627 0.033,628 0.019,629 0.029,630 -0.133,631 -0.097,632 -0.148,633 -0.105,634 -0.085,635 -0.124,636 -0.04,637 0.021,638 -0.045,639 0.006,640 -0.062,641 -0.016,642 0.023,643 -0.119,644 0.013,645 -0.098,646 0.042,647 -0.052,648 0.005,649 0.019,650 -0.044,651 -0.025,652 -0.073,653 -0.041,654 0.016,655 -0.127,656 0.035,657 -0.094,658 0.032,659 -0.037,660 0.1,661 0.034,662 -0.032,663 -0.003,664 0.144,665 -0.027,666 1.698,667 5.505,668 0.778,669 23.783,670 0.994,671 1.114,672 2.68,673 7.182,674 0.684,675 3.434,676 3.761,677 4.043,678 4.331,679 4.575,680 4.615,681 4.745,682 4.883,683 4.89,684 4.956,685 6.278,686 0.648,687 358.47,688 3.434,689 4.977,690 5.832,691 6.715,692 7.592,693 8.483,694 9.369,695 10.263,696 11.155,697 12.052,698 4.1,701 1,706 1,714 2,715 10,720 2,721 1,722 16,741 49,743 19,744 2,745 30,747 52,748 23,749 14,750 3,751 9,752 4,756 4,757 5,763 1,767 1,770 1,772 18,773 5,777 3,782 2,784 1,786 3,790 1,793 22,794 3,796 4,802 2,808 0.75,809 2,824 1,828 1,829 3,832 1,841 1,849 1,850 1,855 1,859 3,864 1,868 27,876 4,881 1,893 4.1,896 2,901 13.5,902 9.15,903 5.889,904 2.974,907 3.592,908 1.474,909 1.012,910 4.848,911 11.171,912 3.738,913 4.341,914 4.946,915 5.553,916 6.096,917 6.411,918 6.822,919 7.216,920 7.324,921 7.612,922 0.857,923 42,924 10.023,926 4.298,927 0.026,929 7.71,931 19.344,933 16.159,936 2.21,937 59.667,939 1,940 1,941 258.964,942 145.599,943 5.023,945 50.29,948 145.599,949 309.254,950 5.023,951 8.825,952 8.852,953 103.81,954 60.128,955 17.153,956 13.915,957 247.193,959 258.964,960 150.622,961 50.29,964 258.964,965 50.29,968 22.7,969 118.446,970 9.476,972 258.964,973 55.313,974 145.599,977 258.964,978 32.964,979 117.659,981 50.29,982 258.964,983 55.313,984 145.599,986 0.581,987 0.339,988 0.188,989 0.109,990 21,991 9,992 0.058,993 3,994 1,995 1.095,996 3.896,997 234.839,998 0.095,999 21,1000 124.382,1005 17.601,1006 7.438,1007 3.682,1008 1.87,1009 53.414,1010 19.962,1015 2.171,1016 1.65,1018 459.876,1019 41,1024 24.456,1026 1.96,1028 0.971,1031 48.694,1032 54.567,1034 0.251,1035 0.605,1036 0.786,1037 0.89,1038 0.925,1039 0.925,1040 4.97,1041 1.414,1042 5.814,1043 3.825,1044 4.443,1045 5.027,1046 2.488,1047 6.629,1048 4.415,1049 6.18,1050 1.414,1051 7.372,1052 3.351,1053 4.007,1054 4.82,1055 1.668,1056 7.529,1057 3.967,1058 7.489,1059 1.129,1060 9.032,1061 3.036,1062 6.033,1063 7.244,1064 3.186,1065 10.654,1066 5.967,1067 8.835,1068 1,1069 10.753,1070 2.754,1071 6.431,1072 7.921,1073 3.013,1074 12.422,1075 6.349,1076 10.216,1077 0.716,1078 12.514,1079 2.136,1080 7.926,1081 9.811,1082 4.143,1083 15.063,1084 7.819,1085 11.623,1086 0.312,1087 14.304,1088 1.78,1089 8.719,1090 10.93,1091 4.341,1092 17.204,1093 8.591,1094 13.053,1095 -0.058,1096 16.114,1097 0.739,1098 9.998,1099 12.599,1100 5.246,1101 19.688,1102 9.846,1103 3.242,1104 -0.462,1105 17.942,1106 -0.159,1107 10.983,1108 13.938,1109 5.651,1110 21.99,1111 10.805,1112 2.884,1113 11.34,1114 19.782,1115 -1.14,1116 12.176,1117 15.519,1118 6.43,1119 24.425,1120 11.975,1121 2.563,1122 8.962,1123 21.633,1124 4.642,1125 13.252,1126 16.963,1127 6.945,1128 26.797,1129 13.023,1130 2.379,1131 7.717,1132 23.494,1133 3.533,1134 14.416,1135 18.51,1136 7.656,1137 29.22,1138 14.161,1139 2.083,1140 7.394,1141 25.363,1142 3.445,1143 15.535,1144 20.003,1145 8.229,1146 31.621,1147 15.251,1148 1.935,1149 5.925,1150 27.238,1151 3.128,1152 16.691,1153 21.539,1154 8.903,1155 34.043,1156 16.381,1157 1.445,1158 5.628,1159 29.119,1160 2.72,1161 17.832,1162 23.054,1163 9.506,1164 36.458,1165 17.493,1166 8458,1167 13338,1168 20.285,1169 33.534,1170 45.881,1171 46.708,1172 46.112,1173 45.073,1174 45.035,1175 60.321,1176 9.034,1177 129.179,1178 44.514,1179 5.683,1180 5.685,1181 6.635,1182 5.251,1183 5.242,1184 7.642,1185 3.272,1186 18.59,1187 5.156,1188 11.506,1189 1.529,1190 1.557,1191 1.537,1192 1.502,1193 1.501,1194 2.011,1195 0.301,1196 4.306,1197 1.484,1198 4.155,1199 4.184,1200 4.122,1201 4.07,1202 7.43,1203 4.079,1204 3.94,1205 3.98,1206 3.865,1207 3.861,1208 7.425,1209 3.856,1210 3.799,1211 3.835,1212 3.725,1213 3.686,1214 4.912,1215 3.691,1216 3.54,1217 3.582,1218 3.451,1219 3.374,1220 4.753,1221 3.384,1222 3.361,1223 3.412,1224 3.25,1225 3.222,1226 4.361,1227 3.222,1228 3.229,1229 3.287,1230 3.113,1231 3.05,1232 4.194,1233 3.052,1234 3.091,1235 3.169,1236 2.918,1237 2.942,1238 3.905,1239 2.925,1240 2.888,1241 2.957,1242 2.739,1243 2.764,1244 3.706,1245 2.75,1246 0.156,1247 0.123,1248 0.228,1249 0.14,1250 0.108,1251 4.683,1252 0.155,1253 3.685,1254 0.063,1255 6.833,1256 0.378,1257 4.214,1258 0.105,1259 3.242,1260 4.642,1261 1.886,1262 11.34,1263 3.156,1264 1.958,1265 1.934,1266 2.068,1267 2.057,1268 1.3,1269 2.062,1270 1.919,1271 1.888,1272 2.031,1273 2.022,1274 1.163,1275 2.022,1276 1.804,1277 1.77,1278 1.944,1279 1.934,1280 1.096,1281 1.941,1282 1.597,1283 1.551,1284 1.766,1285 1.799,1286 0.879,1287 1.791,1288 1.348,1289 1.296,1290 1.595,1291 1.523,1292 0.746,1293 1.548,1294 1.2,1295 1.139,1296 1.474,1297 1.422,1298 0.668,1299 1.439,1300 1.088,1301 1.015,1302 1.365,1303 1.299,1304 0.538,1305 1.329,1306 0.931,1307 0.871,1308 1.181,1309 1.106,1310 0.312,1311 1.137,1312 4.111,1314 5.434,1315 2.398,1316 6.952,1317 4.844,1318 8.557,1319 7.05,1320 10.209,1322 1.552,1328 2.776,1333 2.298,1340 31.74,1341 68.971,1342 166.484,1343 216.227,1344 244.756,1345 254.366,1346 254.366,1347 44.625,1348 7.579,1349 42.31,1350 42.31,1351 23,1352 12.577,1353 4.322,1354 3.585,1355 40.139,1356 101,1357 105,1358 0.193,1359 194.128,1360 337.5,1361 465.432,1362 20634,1364 18.803,1365 0.696,1366 0.57,1367 18.803,1368 15.39,1369 13.114,1370 0.437,1371 0.308,1372 9.144,1373 12.776,1374 8.879,1375 7.354,1376 13.114,1377 9.227,1378 11.908,1379 0.284,1380 0.167,1381 11.908,1382 7.03,1383 9.93,1384 0.177,1385 0.09,1386 9.93,1387 5.068,1388 8.38,1389 0.112,1390 0.049,1391 8.38,1392 3.7,1393 7.126,1394 0.074,1395 0.028,1396 7.126,1397 2.648,1398 0.301,1399 80.99,1400 0.222,1401 25.807,1402 0.536,1403 144,1404 380.761,1405 153.147,1406 373.886,1407 511.71,1408 350,1409 170,1410 373.259,1411 179.649,1412 382.389,1413 557.75,1414 360,1415 4.959}
{0 CHEMBL129753,1 1.493,2 16.5,3 5.076,4 25.768,5 130.126,6 7.429,7 0.486,8 4.219,9 4.321,10 3.781,11 3.744,12 5.333,13 3.733,14 4.751,15 4.912,16 4.117,17 4.108,18 5.868,19 4.08,20 4.985,21 5.164,22 4.183,23 4.237,24 6.048,25 4.189,26 5.059,27 5.271,28 4.113,29 4.199,30 6.154,31 4.132,32 4.967,33 5.176,34 3.97,35 4.172,36 5.98,37 4.077,38 4.968,39 5.203,40 3.877,41 4.137,42 5.897,43 4.008,44 4.963,45 5.213,46 3.721,47 4.022,48 5.832,49 3.889,50 4.784,51 5.022,52 3.67,53 3.903,54 5.684,55 3.788,56 0.037,57 0.833,58 12.513,59 5.917,60 7.828,61 7.326,62 0.421,63 1.336,64 24.232,65 9.427,66 36.213,67 12.115,68 0.361,69 1.579,70 31.994,71 12.476,72 43.44,73 15.792,74 0.733,75 1.646,76 36.814,77 12.871,78 80.532,79 16.814,80 0.542,81 1.558,82 32.555,83 12.113,84 59.078,85 15.992,86 0.377,87 1.556,88 32.723,89 12.803,90 52.967,91 17.637,92 0.61,93 1.48,94 34.619,95 12.004,96 61.101,97 16.275,98 0.337,99 1.28,100 27.794,101 10.063,102 42.231,103 13.743,104 20,105 50,106 0.239,107 0.545,108 0.739,109 0.868,110 0.903,111 0.903,112 3.56,113 0.915,114 -3.94,115 -3.9,116 -3.7,121 43.5,123 2,126 2,127 3,144 11,145 3,146 4,159 1,161 1,176 11,179 1,180 13,183 2,187 12,192 12,200 7,205 2,206 11,211 2,214 9,218 2,219 4,224 2,227 12,231 1,232 4,237 1,239 9,243 1,244 7,247 1,251 4,256 6,264 3,268 1,269 4,274 1,277 6,281 2140,282 23.162,283 23.162,284 23.162,285 23.162,286 23.162,287 20.779,288 28.551,289 13.937,290 23.684,291 18.243,292 18.243,293 18.243,294 18.243,295 18.243,296 14.499,297 35.777,298 6.62,299 19.02,300 4.461,301 2.55,302 1.34,303 0.533,304 0.315,305 0.315,306 4.258,312 1,313 1214,314 4.243,318 400.596,322 302.06,325 2.412,326 33.577,329 1,330 0.67,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.83,337 74,338 561,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 2.186,346 11.061,347 3.18,348 4.105,349 3.66,350 6.011,351 3.723,352 2.761,353 3.688,354 0.916,355 8.529,356 2.661,357 4.048,358 2.996,359 5.681,360 3.613,361 2.642,362 3.676,363 0.86,364 7.996,365 2.563,366 3.672,367 2.983,368 5.407,369 3.38,370 2.451,371 2.964,372 0.86,373 6.913,374 2.261,375 3.617,376 2.82,377 5.29,378 3.232,379 2.271,380 2.885,381 0.366,382 6.815,383 2.172,384 3.378,385 2.632,386 5.124,387 3.119,388 2.164,389 2.515,390 0.172,391 6.041,392 2.048,393 3.308,394 2.494,395 4.862,396 2.95,397 2.012,398 2.503,400 5.593,401 1.864,402 3.085,403 2.169,404 4.584,405 2.777,406 1.803,407 2.172,409 4.813,410 1.746,411 2.905,412 1.755,413 4.125,414 2.508,415 1.544,416 2.081,418 3.384,419 1.48,420 2.716,421 1.617,422 3.729,423 2.423,424 1.432,425 1.811,427 3.264,428 1.415,429 2.671,430 1.372,431 3.672,432 2.243,433 1.257,434 1.738,436 3.064,437 1.236,438 2.586,439 1.299,440 3.495,441 2.181,442 1.189,443 1.592,445 2.613,446 1.177,447 2.416,448 1.284,449 3.483,450 1.904,451 0.9,452 1.283,454 2.102,455 0.895,456 1.851,457 1.101,458 3.132,459 1.685,460 0.726,461 0.804,463 1.631,464 0.689,465 1.507,466 1.066,467 2.911,468 1.299,469 0.383,470 0.409,472 0.559,473 0.346,474 15.967,475 0.47,476 0.729,477 0.021,478 44.25,479 1.301,480 22.5,481 0.662,482 21.75,483 0.64,484 27.726,485 0.815,486 36.833,487 0.594,488 35.166,489 1.034,490 9.029,491 0.266,492 7.501,493 0.221,494 0.104,496 0.307,501 0.776,502 1.299,503 0.773,504 1.148,505 0.586,506 0.988,507 0.884,508 0.928,509 0.876,510 0.936,511 0.556,512 0.894,513 1.168,514 1.088,515 0.965,516 1.077,517 0.846,518 1.001,519 1.176,520 0.926,521 0.978,522 0.9,523 1.12,524 0.902,525 1.035,526 0.971,527 1.098,528 1.002,529 1.144,530 1.053,531 0.618,532 1.141,533 0.966,534 1.167,535 0.594,536 1.14,537 1.084,538 0.879,539 1.085,540 0.928,541 0.815,542 0.999,543 0.94,544 1.108,545 1.031,546 1.08,547 0.779,548 1.074,549 6.5,550 0.111,551 2.889,552 2.375,553 1.853,554 0.868,555 0.563,556 0.392,557 0.205,558 0.192,559 20647,560 56912,561 2.077,562 45.2,564 23,567 1,569 4,572 1.75,573 1.962,574 3.968,575 -0.392,582 92.563,583 1.493,584 3.404,585 4.614,586 5.422,587 5.64,588 5.64,589 3.396,590 4.617,591 5.063,592 4.17,593 2339.19,594 8.821,595 39878.1,600 369.16,601 1.333,602 5.026,603 0.176,604 0.004,605 0.058,606 0.046,607 0.039,608 0.021,609 0.016,610 0.013,611 0.007,612 0.007,613 0.387,614 0.33,615 0.88,616 0.962,617 189.266,618 -0.025,619 -0.151,620 0.058,621 -0.083,622 -0.035,623 -0.011,624 0.084,625 0.175,626 0.05,627 0.06,628 0.115,629 0.058,630 -0.097,631 -0.092,632 -0.001,633 -0.069,634 0.004,635 -0.025,636 -0.004,637 0.04,638 0.038,639 0.07,640 0.039,641 0.065,642 -0.075,643 0.028,644 -0.127,645 -0.015,646 -0.114,647 -0.072,648 0.086,649 -0.179,650 -0.013,651 -0.162,652 0.054,653 -0.116,654 -0.081,655 0.057,656 -0.063,657 0.035,658 -0.08,659 -0.007,660 -0.064,661 -0.141,662 -0.044,663 -0.104,664 -0.028,665 -0.076,666 2.146,667 5.643,668 0.588,669 41.287,670 1.005,671 1.12,672 2.715,673 7.371,674 0.664,675 3.638,676 3.932,677 4.174,678 4.431,679 4.663,680 4.736,681 4.828,682 4.949,683 4.977,684 4.89,685 9.581,686 0.637,687 460.57,688 3.638,689 5.165,690 5.999,691 6.864,692 7.716,693 8.591,694 9.453,695 10.334,696 11.203,697 12.089,698 3.2,701 1,705 1,715 11,720 7,722 18,727 1,737 1,739 2,741 62,743 20,744 3,745 37,747 65,748 27,749 18,750 7,751 11,752 1,756 4,757 7,770 2,772 20,773 7,777 2,782 2,786 2,793 28,794 7,795 1,796 7,802 2,808 0.5,809 5,829 4,833 2,855 1,859 2,864 2,868 34,876 5,877 1,878 3,881 1,893 8.1,896 2,898 3,901 17.333,902 11.7,903 7.611,904 3.712,907 3.488,908 1.431,909 0.969,910 7.961,911 11.591,912 3.892,913 4.437,914 4.965,915 5.515,916 6.042,917 6.254,918 6.581,919 6.934,920 7.196,921 7.359,922 0.909,923 52,924 12.583,926 5.269,927 0.026,929 7.779,931 23.945,933 19.194,936 2.279,937 77.5,940 1,941 317.82,942 177.331,943 21.135,945 83.29,948 177.331,949 401.109,950 21.135,951 16.793,952 31.884,953 104.239,954 55.423,955 66.654,956 6.763,957 317.82,959 317.82,960 198.466,961 83.29,964 270.735,965 130.374,968 35.008,969 163.458,972 317.82,973 104.425,974 177.331,977 317.82,978 56.299,979 124.156,980 18.011,981 83.29,982 317.82,983 104.425,984 177.331,986 0.571,987 0.327,988 0.176,989 0.097,990 22,991 10,992 0.154,993 10,994 2,995 1.2,996 4.686,997 295.518,998 0.2,999 20,1000 172.974,1005 23.959,1006 11.298,1007 6.246,1009 104.425,1010 20.134,1015 4.529,1017 18.011,1018 599.575,1019 48,1024 24.02,1028 -0.51,1031 62.327,1032 69.441,1034 0.251,1035 0.572,1036 0.775,1037 0.911,1038 0.947,1039 0.947,1040 5.115,1041 1.803,1042 5.964,1043 5.593,1044 4.615,1045 5.124,1046 2.639,1047 6.737,1048 4.539,1049 6.295,1050 1.544,1051 7.495,1052 4.813,1053 4.111,1054 4.832,1055 1.847,1056 7.551,1057 4.007,1058 7.581,1059 1.432,1060 9.126,1061 3.384,1062 6.168,1063 7.24,1064 3.582,1065 10.662,1066 6.028,1067 8.901,1068 1.257,1069 10.817,1070 3.264,1071 6.479,1072 7.753,1073 3.603,1074 12.333,1075 6.327,1076 10.253,1077 1.189,1078 12.549,1079 3.064,1080 7.99,1081 9.645,1082 4.922,1083 14.973,1084 7.813,1085 11.629,1086 0.9,1087 14.311,1088 2.613,1089 8.71,1090 10.56,1091 5.291,1092 17.035,1093 8.533,1094 13.024,1095 0.726,1096 16.095,1097 2.102,1098 9.992,1099 12.217,1100 6.39,1101 19.515,1102 9.797,1103 3.215,1104 0.383,1105 17.898,1106 1.631,1107 10.925,1108 13.35,1109 6.93,1110 21.76,1111 10.733,1112 2.761,1113 11.061,1114 19.717,1115 0.559,1116 12.112,1117 14.889,1118 7.902,1119 24.185,1120 11.911,1121 2.642,1122 8.529,1123 21.549,1124 4.198,1125 13.154,1126 16.144,1127 8.539,1128 26.514,1129 12.954,1130 2.451,1131 7.996,1132 23.392,1133 3.688,1134 14.309,1135 17.621,1136 9.436,1137 28.922,1138 14.102,1139 2.271,1140 6.913,1141 25.245,1142 3.676,1143 15.406,1144 18.946,1145 10.13,1146 31.289,1147 15.199,1148 2.164,1149 6.815,1150 27.107,1151 2.964,1152 16.553,1153 20.392,1154 10.981,1155 33.692,1156 16.34,1157 2.012,1158 6.041,1159 28.975,1160 2.885,1161 17.679,1162 21.757,1163 11.71,1164 36.077,1165 17.463,1166 19551,1167 32627,1168 24.849,1169 41.182,1170 54.146,1171 56.579,1172 55.797,1173 53.591,1174 53.566,1175 68.712,1176 10.723,1177 148.92,1178 51.531,1179 5.497,1180 5.692,1181 6.544,1182 5.301,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.18,1188 16.436,1189 1.463,1190 1.529,1191 1.508,1192 1.448,1193 1.448,1194 1.857,1195 0.29,1196 4.025,1197 1.393,1198 4.049,1199 4.056,1200 4.014,1201 3.965,1202 7.435,1203 3.974,1204 3.939,1205 3.968,1206 3.877,1207 3.856,1208 7.427,1209 3.856,1210 3.784,1211 3.813,1212 3.716,1213 3.712,1214 4.947,1215 3.709,1216 3.693,1217 3.75,1218 3.561,1219 3.543,1220 4.813,1221 3.535,1222 3.536,1223 3.596,1224 3.446,1225 3.245,1226 4.708,1227 3.277,1228 3.427,1229 3.503,1230 3.289,1231 3.188,1232 4.382,1233 3.209,1234 3.216,1235 3.232,1236 3.137,1237 3.059,1238 4.318,1239 3.074,1240 3.042,1241 3.094,1242 2.91,1243 2.851,1244 4.218,1245 2.841,1246 0.123,1247 0.1,1248 0.183,1249 0.114,1250 0.087,1251 4.553,1252 0.113,1253 3.692,1254 0.059,1255 6.774,1256 0.299,1257 4.203,1258 0.086,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.059,1267 2.084,1268 1.304,1269 2.074,1270 1.911,1271 1.885,1272 2.035,1273 2.025,1274 1.167,1275 2.029,1276 1.777,1277 1.753,1278 1.943,1279 1.905,1280 1.146,1281 1.917,1282 1.687,1283 1.625,1284 1.873,1285 1.837,1286 0.978,1287 1.85,1288 1.424,1289 1.356,1290 1.699,1291 1.737,1292 0.861,1293 1.723,1294 1.383,1295 1.303,1296 1.682,1297 1.643,1298 0.681,1299 1.662,1300 1.148,1301 1.13,1302 1.412,1303 1.359,1304 0.615,1305 1.363,1306 1.021,1307 0.956,1308 1.347,1309 1.265,1310 0.495,1311 1.281,1312 4.317,1314 5.617,1316 7.112,1318 8.707,1320 10.359,1322 3.589,1328 4.098,1329 2.441,1330 16.982,1333 2.217,1340 39.465,1341 92.563,1342 211.053,1343 286.087,1344 336.141,1345 349.65,1346 349.65,1347 65.104,1348 8.102,1349 81.01,1350 81.01,1351 24,1352 12.625,1353 4.392,1354 3.585,1355 57.623,1356 203,1357 182,1358 0.136,1359 241.559,1360 430.43,1361 581.163,1362 47569,1364 23.916,1365 0.703,1366 0.57,1367 23.916,1368 19.375,1369 16.529,1370 0.447,1371 0.305,1372 11.109,1373 15.825,1374 10.82,1375 9.019,1376 16.529,1377 11.288,1378 14.533,1379 0.291,1380 0.163,1381 14.533,1382 8.166,1383 11.943,1384 0.187,1385 0.086,1386 11.943,1387 5.518,1388 9.893,1389 0.119,1390 0.046,1391 9.893,1392 3.801,1393 7.935,1394 0.076,1395 0.025,1396 7.935,1397 2.578,1398 0.226,1399 104.126,1400 0.201,1401 32.631,1402 0.338,1403 174,1404 550.656,1405 193.743,1406 518.338,1407 703.47,1408 486,1409 201,1410 513.442,1411 220.112,1412 514.928,1413 752.71,1414 483,1415 7.432}
{0 CHEMBL129837,1 1.417,2 11.821,3 5.121,4 26.227,5 112.365,6 6.659,7 0.387,8 4.123,9 4.253,10 3.605,11 3.644,12 5.117,13 3.605,14 4.709,15 4.908,16 4.027,17 4.088,18 5.666,19 4.031,20 4.973,21 5.168,22 4.111,23 4.303,24 5.876,25 4.209,26 5.18,27 5.441,28 4.015,29 4.333,30 6.039,31 4.194,32 5.109,33 5.368,34 3.806,35 4.177,36 6.014,37 4.011,38 4.953,39 5.264,40 3.595,41 3.875,42 5.756,43 3.724,44 4.474,45 4.69,46 3.57,47 3.652,48 5.508,49 3.585,50 4.515,51 4.728,52 3.549,53 3.629,54 5.672,55 3.571,56 0.046,57 0.825,58 13.348,59 5.404,60 10.253,61 7.616,62 0.417,63 1.377,64 25.258,65 9.033,66 35.681,67 13.166,68 0.212,69 1.748,70 32.509,71 12.322,72 29.916,73 17.676,74 0.352,75 1.964,76 41.087,77 14.282,78 48.734,79 21.204,80 0.364,81 1.698,82 38.574,83 13.947,84 57.463,85 20.002,86 0.465,87 1.324,88 34.15,89 11.001,90 50.422,91 16.098,92 0.295,93 0.962,94 20.579,95 6.669,96 29.309,97 9.472,98 0.398,99 0.952,100 21.951,101 6.597,102 50.785,103 9.152,104 38,105 47,106 0.234,107 0.55,108 0.74,109 0.827,110 0.835,111 0.835,112 3.375,113 0.964,114 -4.97,115 -4.87,116 -4.57,121 40.4,122 3,123 1,124 1,125 1,126 2,127 1,130 1,144 7,145 2,146 3,161 1,176 12,179 2,180 7,183 2,185 2,187 15,192 8,197 2,200 13,206 9,211 3,214 7,218 1,219 9,224 3,227 2,231 1,232 3,237 3,239 4,243 1,244 4,247 1,249 2,251 8,255 1,256 4,259 1,264 8,269 2,277 10,281 1182,282 18.341,283 18.341,284 18.341,285 18.341,286 18.341,287 16.826,288 29.648,289 10.308,290 18.705,291 15.234,292 15.234,293 15.234,294 15.234,295 15.234,296 12.822,297 39.43,298 4.841,299 15.818,300 4.415,301 2.496,302 1.341,303 0.816,304 0.768,305 0.768,306 4.063,311 1,312 1,313 722,314 3.873,317 115.541,318 157.251,320 93.176,321 98.739,324 138.017,325 1.776,326 19.195,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 59.5,338 331,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 4.126,349 3.675,350 6.211,351 3.792,352 2.804,353 3.691,354 0.966,355 8.83,356 2.777,357 3.979,358 2.993,359 6.169,360 3.643,361 2.688,362 3.319,363 0.693,364 8.46,365 2.563,366 3.748,367 2.823,368 5.931,369 3.465,370 2.504,371 2.999,372 0.366,373 8.248,374 2.396,375 3.557,376 2.743,377 5.541,378 3.355,379 2.416,380 2.786,382 7.467,383 2.259,384 3.422,385 2.531,386 5.29,387 3.183,388 2.241,389 2.517,391 6.741,392 2.098,393 3.236,394 2.415,395 4.792,396 2.84,397 1.859,398 2.382,400 5.03,401 1.803,402 2.616,403 1.746,404 4.593,405 2.417,406 1.469,407 1.63,409 4.332,410 1.386,411 2.519,412 1.314,413 4.213,414 2.223,415 1.228,416 1.523,418 3.06,419 1.219,420 2.5,421 1.171,422 3.77,423 2.127,424 1.133,425 1.5,427 2.909,428 1.126,429 2.45,430 1,431 3.721,432 2,433 1,434 1.439,436 2.275,437 1,438 1.785,439 0.933,440 3.414,441 1.694,442 0.729,443 0.761,445 1.823,446 0.702,447 1.283,448 0.741,449 3.088,450 1.011,451 0.089,452 0.102,454 0.243,455 0.081,456 1.21,457 0.396,458 2.982,459 0.804,460 -0.183,461 -0.224,463 -0.447,464 -0.178,465 0.762,466 -0.016,467 2.616,468 0.638,469 -0.305,470 -0.324,472 -0.75,473 -0.286,474 13.367,475 0.477,476 0.966,477 0.035,478 33.25,479 1.188,480 15,481 0.536,482 18.25,483 0.652,484 27.39,485 0.978,486 31.033,487 0.544,488 24.738,489 0.884,490 6.104,491 0.218,492 7.187,493 0.257,494 0.212,495 0.037,496 0.359,501 0.813,502 1.444,503 0.884,504 1.197,505 0.666,506 1.066,507 0.699,508 0.893,509 0.802,510 0.805,511 0.389,512 0.8,513 0.987,514 1.339,515 1.084,516 1.231,517 0.726,518 1.178,519 0.96,520 1.017,521 1.049,522 1.045,523 0.665,524 1.042,525 1.083,526 1.163,527 1.093,528 1.223,529 1.282,530 1.177,531 1.367,532 0.674,533 0.755,534 0.644,535 1.236,536 0.641,537 1.639,538 1.023,539 1.051,540 0.991,541 1.584,542 0.959,543 2.356,544 0.876,545 1.199,546 0.866,547 3.126,548 0.902,549 7.5,550 0.159,551 4.444,552 3.771,553 1.668,554 1,555 0.612,556 0.387,557 0.324,558 0.262,559 10186,560 20372,561 2.043,562 50.9,563 10,564 15,565 1,567 1,569 2,572 1.706,573 1.856,574 3.469,575 -0.394,582 80.796,583 1.417,584 3.336,585 4.492,586 5.017,587 5.065,588 5.065,589 2.955,590 4.593,591 4.779,592 3.682,593 1391.81,594 8.283,595 18463.1,600 332.475,601 1.708,602 4.703,603 0.242,604 0.007,605 0.095,606 0.077,607 0.04,608 0.032,609 0.023,610 0.014,611 0.012,612 0.011,613 0.553,614 0.33,615 1,616 0.82,617 141.427,618 0.009,619 -0.205,620 0.074,621 -0.072,622 -0.059,623 -0.005,624 0.299,625 0.266,626 0.19,627 0.218,628 0.261,629 0.198,630 -0.072,631 -0.232,632 -0.116,633 -0.179,634 -0.02,635 -0.159,636 -0.067,637 0.001,638 -0.072,639 -0.074,640 0.072,641 -0.066,642 0.019,643 -0.233,644 -0.106,645 -0.238,646 -0.039,647 -0.195,648 0.023,649 0.156,650 0.276,651 0.265,652 -0.005,653 0.293,654 0.005,655 0.019,656 0.003,657 -0.029,658 -0.043,659 -0.016,660 -0.176,661 0.132,662 -0.092,663 0.063,664 -0.195,665 0.003,666 2.131,667 5.373,668 0.643,669 25.617,670 0.99,671 1.128,672 3.735,673 13.952,674 0.646,675 3.466,676 3.871,677 4.19,678 4.511,679 4.71,680 4.804,681 4.97,682 5.024,683 5.004,684 5.081,685 6.925,686 0.602,687 379.55,688 3.466,689 5.056,690 5.943,691 6.87,692 7.779,693 8.715,694 9.638,695 10.579,696 11.512,697 12.458,698 5.3,701 1,704 1,705 1,715 7,720 5,722 12,736 1,737 1,741 57,743 13,744 2,745 31,747 60,748 23,749 12,750 5,751 7,756 4,757 7,763 3,764 1,766 1,767 1,770 1,772 13,773 10,774 1,777 1,782 1,786 1,793 29,794 5,795 1,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 5,868 28,876 2,877 1,878 1,880 2,881 2,882 1,893 3.5,896 1,898 1,901 15.083,902 11.733,903 5.931,904 3.517,907 2.192,908 1.281,909 0.953,910 4.883,911 10.002,912 3.664,913 4.248,914 4.775,915 5.322,916 5.813,917 6.006,918 6.334,919 6.552,920 6.63,921 6.861,922 0.875,923 49,924 10.393,926 4.447,927 0.026,929 7.568,931 20.351,933 17.325,936 2.068,937 57.917,940 1,941 329.591,942 138.133,943 24.259,945 36.145,948 138.133,949 365.736,950 24.259,951 43.268,952 22.651,953 66.334,954 25.145,955 34.377,956 18.534,957 317.82,959 329.591,960 162.392,961 36.145,964 306.049,965 59.687,968 52.251,969 110.141,972 329.591,973 60.404,974 138.133,977 329.591,978 28.531,979 115.851,980 18.011,981 36.145,982 329.591,983 60.404,984 138.133,986 0.605,987 0.361,988 0.195,989 0.101,990 25,991 12,992 0.067,993 4,994 2,995 1.222,996 3.892,997 250.349,998 0.222,999 18,1000 128.606,1005 19.285,1006 7.089,1007 3.326,1009 60.404,1010 13.856,1015 5.039,1017 18.011,1018 528.128,1019 38,1024 12.373,1028 -0.464,1031 56.447,1032 64.311,1034 0.243,1035 0.572,1036 0.77,1037 0.86,1038 0.868,1039 0.868,1040 4.97,1041 1.469,1042 5.999,1043 5.03,1044 4.554,1045 4.934,1046 2.466,1047 6.934,1048 4.484,1049 6.195,1050 1.228,1051 7.646,1052 4.332,1053 4.443,1054 4.856,1055 1.905,1056 8.289,1057 4.349,1058 7.535,1059 1.133,1060 9.409,1061 3.06,1062 6.304,1063 7.057,1064 3.531,1065 11.445,1066 6.177,1067 8.909,1068 1,1069 11.246,1070 2.909,1071 7.004,1072 7.72,1073 3.612,1074 13.714,1075 6.864,1076 10.318,1077 0.729,1078 13.136,1079 2.275,1080 8.438,1081 9.484,1082 4.913,1083 16.533,1084 8.274,1085 11.753,1086 0.089,1087 15.067,1088 1.823,1089 9.493,1090 10.492,1091 5.293,1092 19.126,1093 9.318,1094 13.211,1095 -0.183,1096 17.031,1097 0.243,1098 10.811,1099 12.078,1100 6.388,1101 21.874,1102 10.616,1103 3.737,1104 -0.305,1105 19.02,1106 -0.447,1107 12.018,1108 13.269,1109 6.931,1110 24.564,1111 11.809,1112 2.804,1113 15.306,1114 21.03,1115 -0.75,1116 13.315,1117 14.771,1118 7.902,1119 27.297,1120 13.087,1121 2.688,1122 8.83,1123 23.056,1124 4.206,1125 14.585,1126 16.063,1127 8.539,1128 30.014,1129 14.339,1130 2.504,1131 8.46,1132 25.094,1133 3.691,1134 15.886,1135 17.524,1136 9.436,1137 32.744,1138 15.621,1139 2.416,1140 8.248,1141 27.143,1142 3.319,1143 17.183,1144 18.875,1145 10.13,1146 35.469,1147 16.897,1148 2.241,1149 7.467,1150 29.199,1151 2.999,1152 18.49,1153 20.317,1154 10.981,1155 38.197,1156 18.184,1157 1.859,1158 6.741,1159 31.261,1160 2.786,1161 19.798,1162 21.701,1163 11.71,1164 40.924,1165 19.471,1166 9739,1167 13941,1168 19.997,1169 36.824,1170 48.239,1171 49.069,1172 50.641,1173 47.768,1174 47.796,1175 57.711,1176 8.422,1177 149.448,1178 46.134,1179 5.797,1180 5.973,1181 7.42,1182 5.806,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 16.932,1189 1.556,1190 1.583,1191 1.634,1192 1.541,1193 1.542,1194 1.862,1195 0.272,1196 4.821,1197 1.488,1198 4.094,1199 4.132,1200 4.041,1201 3.998,1202 7.435,1203 4.003,1204 3.947,1205 3.981,1206 3.882,1207 3.881,1208 4.844,1209 3.876,1210 3.703,1211 3.745,1212 3.621,1213 3.564,1214 4.74,1215 3.568,1216 3.541,1217 3.606,1218 3.421,1219 3.388,1220 4.446,1221 3.379,1222 3.355,1223 3.414,1224 3.238,1225 3.097,1226 4.183,1227 3.125,1228 3.265,1229 3.354,1230 3.09,1231 3.045,1232 4.107,1233 3.038,1234 3.213,1235 3.281,1236 3.03,1237 2.956,1238 3.906,1239 2.983,1240 2.976,1241 3.093,1242 2.687,1243 2.761,1244 3.865,1245 2.726,1246 0.156,1247 0.128,1248 0.258,1249 0.152,1250 0.121,1251 4.832,1252 0.136,1253 3.973,1254 0.071,1255 8.006,1256 0.494,1257 4.714,1258 0.118,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.94,1265 1.911,1266 2.069,1267 2.037,1268 1.31,1269 2.046,1270 1.901,1271 1.881,1272 2.003,1273 1.986,1274 1.252,1275 1.992,1276 1.633,1277 1.577,1278 1.833,1279 1.836,1280 1.058,1281 1.837,1282 1.545,1283 1.479,1284 1.798,1285 1.762,1286 1.013,1287 1.779,1288 1.53,1289 1.45,1290 1.786,1291 1.726,1292 0.909,1293 1.751,1294 1.244,1295 1.18,1296 1.58,1297 1.532,1298 0.644,1299 1.538,1300 1.111,1301 1.056,1302 1.453,1303 1.42,1304 0.563,1305 1.396,1306 1.014,1307 0.899,1308 1.417,1309 1.291,1310 0.469,1311 1.353,1312 4.143,1314 5.525,1315 3.045,1316 7.098,1317 5.638,1318 8.762,1319 7.921,1320 10.484,1322 10.923,1328 2.173,1329 2.816,1330 5.595,1332 0.816,1333 4.733,1334 0.057,1340 34.342,1341 80.796,1342 190.178,1343 256.029,1344 285.945,1345 288.7,1346 288.7,1347 44.948,1348 7.81,1349 44.81,1350 44.81,1351 22,1352 12.952,1353 3.807,1354 3,1355 42.777,1356 117,1357 120,1358 0.18,1359 209.704,1360 367.32,1361 503.439,1362 26906,1364 20.052,1365 0.716,1366 0.619,1367 20.052,1368 17.321,1369 13.292,1370 0.429,1371 0.321,1372 9.834,1373 12.837,1374 9.381,1375 7.871,1376 13.292,1377 9.958,1378 12.958,1379 0.276,1380 0.183,1381 12.958,1382 8.603,1383 10.92,1384 0.168,1385 0.097,1386 10.92,1387 6.336,1388 9.56,1389 0.106,1390 0.054,1391 9.56,1392 4.82,1393 7.319,1394 0.067,1395 0.029,1396 7.319,1397 3.147,1398 0.286,1399 82.833,1400 0.224,1401 26.84,1402 0.48,1403 156,1404 377.094,1405 169.359,1406 366.997,1407 513.49,1408 344,1409 190,1410 393.092,1411 203.642,1412 401.676,1413 592.69,1414 375,1415 6.539}
{0 CHEMBL130098,1 1.902,2 7.842,3 3.15,4 9.921,5 76.436,6 9.275,7 0.55,8 3.573,9 3.686,10 3.381,11 3.15,12 4.748,13 3.102,14 4.061,15 4.245,16 3.741,17 3.468,18 5.224,19 3.416,20 4.115,21 4.252,22 3.8,23 3.54,24 5.428,25 3.477,26 4.285,27 4.505,28 3.702,29 3.425,30 5.547,31 3.39,32 4.04,33 4.231,34 3.592,35 3.432,36 5.177,37 3.338,38 4.049,39 4.208,40 3.487,41 3.425,42 5.246,43 3.274,44 3.909,45 4.071,46 3.23,47 3.279,48 5.056,49 3.128,50 4.089,51 4.391,52 3.088,53 3.17,54 4.94,55 2.924,56 0.071,57 0.509,58 4.762,59 2.793,60 4.169,61 3.238,62 0.331,63 0.777,64 15.634,65 4.675,66 13.543,67 5.474,68 0.21,69 0.779,70 12.579,71 4.985,72 19.864,73 5.826,74 0.55,75 0.843,76 20.358,77 4.866,78 54.951,79 5.211,80 0.232,81 0.759,82 10.771,83 4.146,84 19.194,85 4.587,86 0.335,87 0.715,88 20.2,89 5.895,90 28.638,91 5.382,92 0.172,93 0.567,94 10.898,95 4.765,96 15.668,97 5.479,98 0.265,99 0.55,100 21.55,101 6.313,102 29.872,103 8.244,104 31,105 28,106 0.359,107 0.669,108 0.741,109 0.764,110 0.764,111 0.764,112 3.011,113 1.067,114 -4.71,115 -4.62,116 -4.35,121 37.5,126 3,144 4,145 1,146 1,151 1,161 1,164 1,168 1,176 4,179 5,180 4,187 6,191 2,192 6,200 4,205 2,206 8,214 2,219 4,227 2,232 6,239 2,244 5,264 1,269 2,281 400,282 12.439,283 12.439,284 12.439,285 12.439,286 12.439,287 11.064,288 9.954,289 7.158,290 13.111,291 9.75,292 9.75,293 9.75,294 9.75,295 9.75,296 7.526,297 8.091,298 3.282,299 10.721,300 3.098,301 1.454,302 1.071,303 0.946,304 0.946,305 0.946,306 3.659,308 1,310 1,311 1,312 1,313 301,314 3.082,317 54.656,318 64.066,325 1.235,326 18.633,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 41.333,338 149,339 4.498,340 4.378,341 6.63,342 4.076,343 3.147,344 4.183,345 2.95,346 10.56,347 2.929,348 4.084,349 3.698,350 6.091,351 3.706,352 2.742,353 3.633,354 1.678,355 8.781,356 2.636,357 3.707,358 2.983,359 5.469,360 3.275,361 2.373,362 3.046,363 0.527,364 6.666,365 2.112,366 3.439,367 2.778,368 5.026,369 3.025,370 2.147,371 2.665,373 5.983,374 1.827,375 2.742,376 2.455,377 4.333,378 2.289,379 1.414,380 1.833,382 3.786,383 1.223,384 2.598,385 1.997,386 4.239,387 2.203,388 1.284,389 1.616,391 3.593,392 1.146,393 2.5,394 1.691,395 3.414,396 2,397 1,398 1.5,400 2.275,401 1,402 2.065,403 1.274,404 3.145,405 1.527,406 0.5,407 0.721,409 1.198,410 0.502,411 1.494,412 1,413 2.684,414 1.103,415 0.323,416 0.368,418 0.473,419 0.247,420 1.112,421 0.393,422 2.504,423 0.628,424 -0.212,425 -0.267,427 -0.465,428 -0.144,429 0.5,430 0.21,431 2,433 -1,434 -1,436 -2,437 -0.814,438 0.358,439 -0.444,440 1.87,441 -0.086,442 -1,443 -1.198,445 -2.415,446 -0.879,447 0.153,448 -0.6,449 1.718,450 -0.1,451 -1,452 -1.348,454 -2.941,455 -0.9,457 -0.881,458 1.426,459 -0.279,460 -1.115,461 -1.5,463 -3,464 -1,465 -0.097,466 -1,467 1.333,468 -0.502,469 -1.414,470 -1.802,472 -3.678,473 -1.281,474 9.481,475 0.499,476 0.562,477 0.03,478 24.5,479 1.289,480 12,481 0.632,482 12.5,483 0.658,484 14.184,485 0.747,486 20.519,487 0.641,488 16.411,489 0.864,490 4.761,491 0.251,492 4.263,493 0.224,494 0.269,496 0.348,501 0.642,502 1.42,503 0.603,504 0.934,505 0.582,506 0.917,507 0.633,508 0.917,509 0.824,510 0.876,511 0.544,512 0.66,513 0.921,514 1.467,515 0.906,516 1.15,517 0.921,518 1.113,519 1.775,520 0.821,521 0.886,522 0.604,523 1.938,524 0.65,525 1.164,526 1.021,527 0.814,528 0.774,529 0.838,530 0.896,531 1.354,532 1.136,533 1.715,534 1.681,535 1.338,536 1.324,537 0.883,538 1.255,539 1.053,540 1.39,541 1.169,542 1.497,543 0.565,544 0.732,545 0.468,546 0.692,547 0.796,548 0.909,549 4.5,551 2.667,552 1.319,553 1.282,554 0.834,555 0.31,556 0.268,557 0.16,558 0.071,559 2811,560 10322,561 1.935,562 40.6,564 13,572 1.606,573 1.754,574 2.988,575 -0.621,577 1,579 1,582 60.875,583 1.902,584 3.546,585 3.929,586 4.054,587 4.054,588 4.054,589 2.484,590 3.577,591 4.217,592 3.088,593 528.098,594 7.2,595 5133.71,596 1,597 1,598 1,599 1,600 160,601 1.568,602 4.14,603 0.225,605 0.095,606 0.047,607 0.051,608 0.038,609 0.017,610 0.019,611 0.018,612 0.014,613 0.525,614 0.5,615 1,616 1.296,617 81.632,618 0.024,619 -0.254,620 0.041,621 -0.063,622 -0.076,623 -0.062,624 0.247,625 0.22,626 0.075,627 0.115,628 0.115,629 0.247,630 0.049,631 -0.422,632 -0.044,633 -0.251,634 0.092,635 -0.224,636 -0.335,637 0.197,638 -0.025,639 0.228,640 -0.261,641 0.192,642 -0.318,643 0.132,644 -0.066,645 0.128,646 -0.138,647 -0.037,648 -0.29,649 0.033,650 -0.491,651 -0.358,652 -0.143,653 -0.363,654 -0.05,655 -0.3,656 -0.238,657 -0.419,658 -0.13,659 -0.524,660 0.17,661 -0.016,662 0.372,663 0.219,664 0.033,665 0.212,666 1.892,667 4.975,668 0.579,669 13.529,670 1.017,671 1.129,672 3.479,673 12.102,674 0.712,675 3.045,676 3.367,677 3.611,678 3.807,679 3.989,680 4.043,681 3.989,682 3.97,683 3.97,684 3.664,685 4.744,686 0.67,687 296.81,688 3.045,689 4.575,690 5.416,691 6.29,692 7.159,693 8.039,694 8.917,695 9.801,696 10.682,697 11.568,698 12.5,705 1,706 1,708 2,715 4,716 2,720 4,721 1,722 11,740 1,741 32,743 12,744 1,745 20,747 33,748 12,749 8,750 2,751 4,752 1,756 2,757 2,758 1,761 1,772 9,773 3,777 1,782 1,786 1,789 1,790 1,793 13,794 4,796 7,797 2,802 4,808 1,809 1,828 1,829 1,859 2,860 1,862 1,864 3,865 1,868 19,879 1,881 1,890 1,892 1,893 3.1,896 1,901 10.833,902 6.86,903 4.278,904 1.644,907 2.099,908 1.341,909 0.944,910 4.373,911 8.26,912 3.314,913 3.907,914 4.49,915 5.023,916 5.47,917 5.77,918 6.031,919 6.329,920 6.647,921 6.611,922 1,923 28,924 6.965,926 2.832,927 0.026,929 7.883,931 13.001,933 9.953,936 2.383,937 45.278,938 0.001,941 153.024,942 108.091,943 38.349,944 39.149,945 25.145,947 32.22,948 75.871,949 217.318,950 38.349,951 23.983,952 3.124,953 37.905,954 58.593,955 11.484,956 4.276,957 185.244,958 39.149,959 153.024,960 114.221,961 25.145,962 71.368,964 155.352,965 25.145,968 5.594,969 72.85,970 72.597,971 32.22,972 153.024,973 63.494,974 147.239,977 153.024,978 46.203,979 66.789,981 97.742,982 153.024,983 63.494,984 147.239,986 0.585,987 0.345,988 0.171,989 0.098,990 13,991 7,992 0.061,993 2,995 1,996 3.012,997 134.965,999 11,1000 74.711,1001 1,1005 14.219,1006 5.843,1007 3.041,1009 61.718,1010 7.187,1011 8.609,1015 2.544,1016 1.3,1018 363.758,1019 26.5,1024 11.975,1028 -0.225,1031 32.553,1032 36.143,1034 0.38,1035 0.709,1036 0.786,1037 0.811,1038 0.811,1039 0.811,1040 4.541,1041 0.5,1042 5.425,1043 2.275,1044 4.043,1045 4.59,1046 3.158,1047 6.244,1048 3.879,1049 5.762,1050 0.323,1051 7.004,1052 1.198,1053 3.761,1054 4.46,1055 1.305,1056 7.195,1057 3.488,1058 7.076,1059 -0.212,1060 8.681,1061 0.473,1062 5.652,1063 6.782,1064 5.094,1065 10.265,1066 5.357,1067 8.429,1068 -1,1069 10.413,1070 -0.465,1071 6.155,1072 7.454,1073 2.419,1074 12.015,1075 5.765,1076 9.811,1077 -1,1078 12.179,1079 -2,1080 7.559,1081 9.263,1082 7.204,1083 14.621,1084 7.144,1085 11.215,1086 -1,1087 13.968,1088 -2.415,1089 8.398,1090 10.3,1091 3.517,1092 16.702,1093 7.898,1094 12.635,1095 -1.115,1096 15.775,1097 -2.941,1098 9.623,1099 11.896,1100 9.354,1101 19.144,1102 9.086,1103 3.147,1104 -1.414,1105 17.595,1106 -3,1107 10.617,1108 13.116,1109 4.595,1110 21.37,1111 9.999,1112 2.742,1113 10.56,1114 19.426,1115 -3.678,1116 11.775,1117 14.616,1118 11.513,1119 23.751,1120 11.109,1121 2.373,1122 8.781,1123 21.265,1124 4.183,1125 12.841,1126 15.931,1127 5.656,1128 26.043,1129 12.097,1130 2.147,1131 6.666,1132 23.11,1133 3.633,1134 13.977,1135 17.386,1136 13.675,1137 28.403,1138 13.175,1139 1.414,1140 5.983,1141 24.962,1142 3.046,1143 15.078,1144 18.751,1145 6.706,1146 30.725,1147 14.199,1148 1.284,1149 3.786,1150 26.818,1151 2.665,1152 16.209,1153 20.187,1154 15.839,1155 33.078,1156 15.265,1157 1,1158 3.593,1159 28.678,1160 1.833,1161 17.327,1162 21.579,1163 7.75,1164 35.415,1165 16.308,1166 2955,1167 5766,1168 12.542,1169 22.79,1170 30.403,1171 34.19,1172 31.895,1173 30.029,1174 29.859,1175 39.129,1176 10.31,1177 86.63,1178 27.242,1179 5.27,1180 6.378,1181 6.154,1182 5.11,1183 5.147,1184 7.183,1185 5.9,1186 17.562,1187 4.929,1188 11.669,1189 1.52,1190 1.71,1191 1.595,1192 1.501,1193 1.493,1194 1.956,1195 0.515,1196 4.332,1197 1.362,1198 4.002,1199 4.047,1200 4.095,1201 3.894,1202 7.429,1203 3.895,1204 3.78,1205 3.82,1206 3.941,1207 3.612,1208 5.042,1209 3.62,1210 3.504,1211 3.586,1212 3.534,1213 3.281,1214 4.871,1215 3.279,1216 3.165,1217 3.247,1218 3.42,1219 3.077,1220 4.256,1221 2.992,1222 2.947,1223 3.009,1224 3.13,1225 2.774,1226 4.194,1227 2.772,1228 2.874,1229 2.971,1230 2.731,1231 2.735,1232 3.88,1233 2.715,1234 2.854,1235 2.925,1236 2.687,1237 2.618,1238 3.674,1239 2.57,1240 2.689,1241 2.711,1242 2.499,1243 2.435,1244 3.553,1245 2.47,1246 0.225,1247 0.219,1248 0.332,1249 0.204,1250 0.157,1251 4.498,1252 0.209,1253 4.378,1254 0.148,1255 6.63,1256 0.528,1257 4.076,1258 0.146,1259 3.147,1260 4.183,1261 2.95,1262 10.56,1263 2.929,1264 1.893,1265 1.872,1266 1.975,1267 1.967,1268 1.078,1269 1.976,1270 1.591,1271 1.529,1272 1.798,1273 1.887,1274 0.855,1275 1.857,1276 1.352,1277 1.297,1278 1.539,1279 1.56,1280 0.707,1281 1.589,1282 1.177,1283 1.124,1284 1.417,1285 1.421,1286 0.469,1287 1.419,1288 1.044,1289 0.958,1290 1.275,1291 1.296,1292 0.3,1293 1.308,1294 0.934,1295 0.821,1296 1.181,1297 1.239,1298 0.258,1299 1.288,1300 0.886,1301 0.804,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.58,1307 0.539,1308 0.719,1309 0.805,1311 0.788,1312 3.714,1314 5.03,1315 2.398,1316 6.535,1317 4.727,1318 8.12,1319 6.843,1320 9.747,1322 5.21,1323 5.844,1331 1.376,1333 1.458,1340 21.449,1341 60.875,1342 113.471,1343 125.735,1344 129.735,1345 129.735,1346 129.735,1347 30.287,1348 6.161,1349 51.02,1350 76.32,1351 11,1352 12.101,1353 3.7,1354 2.907,1355 33.524,1356 54,1357 55,1358 0.324,1359 144.165,1360 240.31,1361 343.522,1362 2842,1363 3.1,1364 13.991,1365 0.736,1366 0.651,1367 14.845,1368 12.365,1369 9.024,1370 0.451,1371 0.356,1372 5.548,1373 7.862,1374 5.14,1375 4.353,1376 9.87,1377 7.116,1378 8.187,1379 0.292,1380 0.187,1381 9.061,1382 5.228,1383 6.764,1384 0.188,1385 0.092,1386 7.55,1387 3.308,1388 4.952,1389 0.113,1390 0.047,1391 5.616,1392 2.061,1393 3.933,1394 0.074,1395 0.027,1396 4.652,1397 1.454,1398 0.488,1399 65.572,1400 0.282,1401 18.76,1402 0.942,1403 96,1404 327.38,1405 142.669,1406 366.763,1407 484.26,1408 340,1409 112,1410 320.013,1411 149.969,1412 346.159,1413 504.01,1414 319,1415 7}
{0 CHEMBL130112,1 1.628,2 9.792,3 4.548,4 20.685,5 96.45,6 8.059,7 0.654,8 3.83,9 3.947,10 3.523,11 3.434,12 4.969,13 3.383,14 4.315,15 4.489,16 3.858,17 3.763,18 5.416,19 3.704,20 4.439,21 4.607,22 3.93,23 3.848,24 5.61,25 3.783,26 4.583,27 4.797,28 3.907,29 3.795,30 5.771,31 3.74,32 4.524,33 4.75,34 3.847,35 3.791,36 5.627,37 3.701,38 4.412,39 4.592,40 3.805,41 3.774,42 5.587,43 3.665,44 4.357,45 4.541,46 3.648,47 3.739,48 5.473,49 3.611,50 4.387,51 4.627,52 3.382,53 3.679,54 5.303,55 3.503,56 0.026,57 0.642,58 8.074,59 3.8,60 5.275,61 4.716,62 0.278,63 1.033,64 18.443,65 6.242,66 14.863,67 7.926,68 0.13,69 1.12,70 17.175,71 6.816,72 20.575,73 8.794,74 0.353,75 1.252,76 22.982,77 6.905,78 44.764,79 8.73,80 0.232,81 1.173,82 22.04,83 7.238,84 34.084,85 8.971,86 0.25,87 1.083,88 23.546,89 7.478,90 36.962,91 7.89,92 0.206,93 1.017,94 20.702,95 7.038,96 31.196,97 7.914,98 0.172,99 0.959,100 20.664,101 7.782,102 25.094,103 9.901,104 18,105 36,106 0.283,107 0.584,108 0.717,109 0.802,110 0.814,111 0.814,112 3.229,113 1.008,114 -5.73,115 -5.59,116 -5.21,121 42.9,122 1,126 2,144 9,145 2,146 1,151 1,161 1,164 1,168 1,176 11,179 5,180 6,187 12,191 2,192 8,200 7,205 2,206 13,214 2,219 12,227 2,232 13,239 4,244 8,251 5,256 3,264 8,269 2,277 9,281 834,282 16.215,283 16.215,284 16.215,285 16.215,286 16.215,287 14.114,288 13.941,289 9.517,290 16.745,291 12.728,292 12.728,293 12.728,294 12.728,295 12.728,296 9.501,297 14.956,298 4.426,299 13.432,300 3.765,301 2.038,302 1.275,303 0.786,304 0.721,305 0.721,306 3.906,311 1,312 1,313 499,314 3.162,317 70.092,318 169.274,325 1.559,326 17.506,328 1,329 0.75,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.84,337 51,338 235,339 4.514,340 4.378,341 6.71,342 4.113,343 3.181,344 4.188,345 2.95,346 10.791,347 2.968,348 4.166,349 3.74,350 6.22,351 3.818,352 2.857,353 3.678,354 1.678,355 9.22,356 2.752,357 3.961,358 2.913,359 5.916,360 3.539,361 2.583,362 3.514,363 0.527,364 8.175,365 2.465,366 3.618,367 2.72,368 5.105,369 3.226,370 2.239,371 2.99,373 6.088,374 2.206,375 3.369,376 2.552,377 5.006,378 2.936,379 1.992,380 2.619,382 5.611,383 1.861,384 2.911,385 2.364,386 4.264,387 2.462,388 1.509,389 2.055,391 3.754,392 1.432,393 2.741,394 1.74,395 4.217,396 2.252,397 1.329,398 1.833,400 3.553,401 1.205,402 2.5,403 1.662,404 3.603,405 2,406 1,407 1.5,409 2.566,410 1,411 2.5,412 1.237,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.39,421 1.03,422 3.247,423 1.937,424 0.984,425 1.328,427 2.136,428 0.932,429 1.855,430 1,431 3.093,432 1.39,433 0.372,434 0.513,436 0.88,437 0.371,438 1.494,439 1,440 2.696,441 1.107,442 0.317,443 0.363,445 0.467,446 0.247,447 1.112,448 0.277,449 2.518,450 0.772,451 -0.213,452 -0.267,454 -0.465,455 -0.209,456 0.651,457 0.019,458 2.145,459 0.225,460 -0.75,461 -0.964,463 -1.609,464 -0.727,465 0.5,466 -0.469,467 2,469 -1,470 -1.196,472 -2.347,473 -0.828,474 11.767,475 0.49,476 0.575,477 0.024,478 33.75,479 1.406,480 18.5,481 0.771,482 15.25,483 0.635,484 17.672,485 0.736,486 24.833,487 0.591,488 23.811,489 0.992,490 6.589,491 0.275,492 5.008,493 0.209,494 0.156,496 0.323,501 0.648,502 1.251,503 0.722,504 0.963,505 0.606,506 0.925,507 0.533,508 1.041,509 0.965,510 1.039,511 0.561,512 0.842,513 0.834,514 1.333,515 0.773,516 1.068,517 0.827,518 1.043,519 1.608,520 1.105,521 0.88,522 0.878,523 1.597,524 0.904,525 1.544,526 0.965,527 0.896,528 0.762,529 1.359,530 0.804,531 1.972,532 1.104,533 1.624,534 1.21,535 1.92,536 1.007,537 1.593,538 1.048,539 1.556,540 1.225,541 1.493,542 1.146,543 0.915,544 0.861,545 1.122,546 1.036,547 0.909,548 1.102,549 4.5,550 0.049,551 3.111,552 1.757,553 1.553,554 0.99,555 0.462,556 0.397,557 0.23,558 0.071,559 6027,560 15845,561 2.04,562 42.9,563 3,564 15,572 1.672,573 1.895,574 3.284,575 -0.74,582 68.36,583 1.628,584 3.355,585 4.117,586 4.606,587 4.672,588 4.672,589 2.772,590 3.939,591 4.554,592 3.391,593 935.956,594 7.876,595 10845.1,597 1,600 226.477,601 1.459,602 4.507,603 0.173,604 0.005,605 0.086,606 0.047,607 0.046,608 0.031,609 0.015,610 0.015,611 0.011,612 0.005,613 0.435,614 0.33,615 0.88,616 0.813,617 113.312,618 0.089,619 -0.146,620 0.079,621 -0.034,622 -0.068,623 -0.026,624 0.412,625 0.066,626 0.067,627 -0.027,628 0.104,629 0.086,630 0.171,631 -0.295,632 0.065,633 -0.167,634 0.13,635 -0.132,636 -0.066,637 -0.047,638 0.024,639 -0.03,640 -0.042,641 -0.035,642 -0.211,643 0.077,644 0.087,645 0.16,646 -0.053,647 0.111,648 -0.406,649 0.012,650 -0.269,651 -0.035,652 -0.186,653 -0.078,654 -0.376,655 0.041,656 -0.356,657 -0.118,658 -0.228,659 -0.206,660 -0.133,661 0.065,662 -0.129,663 -0.021,664 -0.101,665 -0.082,666 1.906,667 5.797,668 0.708,669 19.875,670 1,671 1.12,672 4.496,673 20.211,674 0.701,675 3.296,676 3.611,677 3.892,678 4.111,679 4.304,680 4.344,681 4.382,682 4.443,683 4.511,684 4.419,685 5.718,686 0.659,687 338.47,688 3.296,689 4.828,690 5.68,691 6.553,692 7.425,693 8.305,694 9.185,695 10.069,696 10.953,697 11.841,698 9.5,705 1,706 1,708 2,715 9,716 2,720 5,721 1,722 17,741 42,743 18,744 2,745 26,747 44,748 18,749 14,750 3,751 9,752 1,756 3,757 3,761 1,763 1,772 15,773 3,777 1,782 1,786 1,790 1,793 18,794 4,796 6,797 1,802 4,808 1,809 1,828 1,829 2,859 3,860 1,862 1,864 3,868 24,879 1,881 1,890 1,893 2.4,896 1,901 12.667,902 8.633,903 5.389,904 2.319,907 2.85,908 1.416,909 0.978,910 4.908,911 9.695,912 3.597,913 4.193,914 4.786,915 5.333,916 5.796,917 6.011,918 6.32,919 6.665,920 7.016,921 7.168,922 0.857,923 37,924 8.841,926 3.654,927 0.026,929 7.701,931 16.818,933 13.262,936 2.201,937 52.833,940 1,941 211.88,942 158.342,943 38.349,945 25.145,947 32.22,948 126.123,949 237.025,950 38.349,951 24.412,952 3.124,953 85.286,954 58.593,955 13.925,956 4.276,957 244.099,959 211.88,960 164.472,961 25.145,962 32.22,964 214.208,965 25.145,968 14.419,969 114.277,970 33.449,971 32.22,972 211.88,973 63.494,974 158.342,977 211.88,978 48.644,979 114.599,981 58.593,982 211.88,983 63.494,984 158.342,986 0.579,987 0.349,988 0.183,989 0.101,990 17,991 8,992 0.068,993 3,995 1,996 3.557,997 193.473,999 17,1000 102.039,1001 1,1005 16.593,1006 7.099,1007 3.49,1009 61.718,1010 17.415,1011 8.914,1015 3.988,1016 1.354,1018 433.717,1019 35.5,1024 12.797,1028 -0.239,1031 41.996,1032 47.029,1034 0.302,1035 0.622,1036 0.764,1037 0.854,1038 0.866,1039 0.866,1040 4.814,1041 1,1042 5.666,1043 3.553,1044 4.29,1045 4.879,1046 3.158,1047 6.482,1048 4.195,1049 6.024,1050 1,1051 7.235,1052 2.566,1053 3.892,1054 4.605,1055 1.305,1056 7.405,1057 3.731,1058 7.328,1059 0.984,1060 8.906,1061 2.275,1062 5.889,1063 7.056,1064 5.094,1065 10.513,1066 5.694,1067 8.67,1068 0.372,1069 10.636,1070 2.136,1071 6.33,1072 7.611,1073 2.419,1074 12.26,1075 6.051,1076 10.044,1077 0.317,1078 12.404,1079 0.88,1080 7.789,1081 9.506,1082 7.204,1083 14.888,1084 7.48,1085 11.44,1086 -0.213,1087 14.199,1088 0.467,1089 8.6,1090 10.453,1091 3.517,1092 16.968,1093 8.202,1094 12.854,1095 -0.75,1096 16.012,1097 -0.465,1098 9.853,1099 12.102,1100 9.354,1101 19.429,1102 9.418,1103 3.181,1104 -1,1105 17.838,1106 -1.609,1107 10.836,1108 13.257,1109 4.595,1110 21.656,1111 10.313,1112 2.857,1113 10.791,1114 19.676,1115 -2.347,1116 12.009,1117 14.785,1118 11.513,1119 24.056,1120 11.438,1121 2.583,1122 9.22,1123 21.522,1124 4.188,1125 13.073,1126 16.055,1127 5.656,1128 26.353,1129 12.418,1130 2.239,1131 8.175,1132 23.374,1133 3.678,1134 14.217,1135 17.524,1136 13.675,1137 28.73,1138 13.506,1139 1.992,1140 6.088,1141 25.232,1142 3.514,1143 15.319,1144 18.859,1145 6.706,1146 31.061,1147 14.529,1148 1.509,1149 5.611,1150 27.095,1151 2.99,1152 16.457,1153 20.3,1154 15.839,1155 33.431,1156 15.602,1157 1.329,1158 3.754,1159 28.962,1160 2.619,1161 17.578,1162 21.672,1163 7.75,1164 35.782,1165 16.647,1166 5916,1167 9758,1168 17.107,1169 29.455,1170 39.267,1171 42.904,1172 40.67,1173 38.669,1174 38.728,1175 52.164,1176 10.31,1177 111.032,1178 36.877,1179 5.354,1180 6.378,1181 6.512,1182 5.175,1183 5.181,1184 7.188,1185 5.9,1186 18.193,1187 4.968,1188 12.074,1189 1.51,1190 1.65,1191 1.564,1192 1.487,1193 1.49,1194 2.006,1195 0.397,1196 4.27,1197 1.418,1198 4.023,1199 4.067,1200 4.085,1201 3.912,1202 7.429,1203 3.915,1204 3.9,1205 3.934,1206 3.836,1207 3.828,1208 5.019,1209 3.825,1210 3.761,1211 3.808,1212 3.803,1213 3.602,1214 4.755,1215 3.605,1216 3.379,1217 3.449,1218 3.457,1219 3.173,1220 4.657,1221 3.176,1222 3.202,1223 3.276,1224 3.244,1225 3.126,1226 4.038,1227 3.052,1228 3.09,1229 3.186,1230 2.921,1231 2.889,1232 3.91,1233 2.863,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 3.802,1239 2.715,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.174,1247 0.168,1248 0.258,1249 0.158,1250 0.122,1251 4.514,1252 0.161,1253 4.378,1254 0.113,1255 6.71,1256 0.415,1257 4.113,1258 0.114,1259 3.181,1260 4.188,1261 2.95,1262 10.791,1263 2.968,1264 1.924,1265 1.897,1266 2.04,1267 2.017,1268 1.143,1269 2.019,1270 1.895,1271 1.863,1272 2.017,1273 1.998,1274 1.084,1275 2.009,1276 1.504,1277 1.46,1278 1.654,1279 1.766,1280 0.735,1281 1.731,1282 1.34,1283 1.287,1284 1.559,1285 1.515,1286 0.678,1287 1.558,1288 1.26,1289 1.188,1290 1.536,1291 1.489,1292 0.638,1293 1.514,1294 1.054,1295 0.957,1296 1.286,1297 1.352,1298 0.316,1299 1.379,1300 0.913,1301 0.821,1302 1.181,1303 1.184,1304 0.218,1305 1.18,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 3.97,1314 5.283,1315 2.398,1316 6.795,1317 4.727,1318 8.387,1319 6.843,1320 10.021,1322 5.645,1331 1.397,1333 1.563,1340 27.675,1341 68.36,1342 140.889,1343 172.928,1344 193.458,1345 196.213,1346 196.213,1347 35.789,1348 6.845,1349 51.02,1350 76.32,1351 17,1352 12.372,1353 4.248,1354 3.392,1355 39.147,1356 80,1357 88,1358 0.238,1359 177.21,1360 297.72,1361 424.153,1362 7502,1364 17.104,1365 0.713,1366 0.609,1367 17.458,1368 14.618,1369 11.597,1370 0.446,1371 0.336,1372 7.524,1373 10.755,1374 7.094,1375 5.999,1376 12.154,1377 8.736,1378 10.2,1379 0.283,1380 0.171,1381 10.666,1382 6.15,1383 8.936,1384 0.186,1385 0.09,1386 9.432,1387 4.311,1388 6.937,1389 0.116,1390 0.046,1391 7.434,1392 2.753,1393 5.49,1394 0.075,1395 0.026,1396 5.978,1397 1.866,1398 0.367,1399 77.709,1400 0.242,1401 23.288,1402 0.674,1403 124,1404 361.176,1405 155.816,1406 375.873,1407 518.93,1408 352,1409 146,1410 379.207,1411 174.876,1412 397.839,1413 581.05,1414 370,1415 5.62}
{0 CHEMBL130270,1 1.417,2 10.5,3 5.121,4 26.227,5 112.365,6 6.659,7 0.387,8 4.123,9 4.253,10 3.605,11 3.644,12 5.118,13 3.605,14 4.709,15 4.908,16 4.027,17 4.088,18 5.664,19 4.031,20 4.973,21 5.168,22 4.127,23 4.305,24 5.869,25 4.215,26 5.184,27 5.44,28 4.072,29 4.352,30 6.048,31 4.225,32 5.151,33 5.401,34 3.896,35 4.24,36 6.079,37 4.086,38 5.074,39 5.38,40 3.693,41 3.964,42 5.943,43 3.814,44 4.592,45 4.804,46 3.571,47 3.685,48 5.677,49 3.62,50 4.435,51 4.627,52 3.539,53 3.701,54 5.536,55 3.626,56 0.046,57 0.825,58 13.348,59 5.404,60 10.364,61 7.616,62 0.417,63 1.377,64 25.258,65 9.033,66 35.642,67 13.166,68 0.207,69 1.752,70 32.506,71 12.301,72 28.941,73 17.665,74 0.358,75 2.003,76 41.258,77 14.099,78 45.683,79 21.038,80 0.382,81 1.811,82 40.186,83 14.216,84 58.198,85 20.488,86 0.522,87 1.446,88 38.671,89 12.574,90 66.238,91 18.04,92 0.478,93 0.977,94 23.945,95 7.439,96 52.237,97 9.951,98 0.335,99 0.96,100 19.685,101 6.569,102 39.038,103 9.172,104 38,105 47,106 0.234,107 0.55,108 0.748,109 0.847,110 0.858,111 0.858,112 3.375,113 0.964,114 -4.97,115 -4.87,116 -4.57,121 40.4,122 3,123 1,124 1,125 1,126 2,127 1,130 1,144 7,145 2,146 3,161 1,176 12,179 2,180 7,183 2,185 2,187 14,192 8,197 3,200 11,206 9,211 5,214 8,218 1,219 11,224 2,227 4,231 1,232 7,237 1,239 4,243 1,244 2,247 1,249 2,251 10,255 1,259 1,264 14,269 2,277 13,281 1122,282 18.394,283 18.394,284 18.394,285 18.394,286 18.394,287 16.851,288 27.816,289 10.407,290 18.754,291 15.245,292 15.245,293 15.245,294 15.245,295 15.245,296 12.809,297 37.169,298 4.87,299 15.823,300 4.415,301 2.496,302 1.293,303 0.698,304 0.628,305 0.628,306 4.063,311 1,312 1,313 638,314 3.873,317 110.378,318 153.879,320 89.044,321 93.848,324 131.476,325 1.571,326 19.617,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 59.5,338 294,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 4.287,349 3.682,350 6.415,351 3.963,352 2.978,353 3.864,354 0.966,355 9.799,356 2.934,357 3.975,358 3.135,359 6.211,360 3.633,361 2.679,362 3.315,363 0.693,364 8.828,365 2.557,366 3.667,367 2.819,368 6.169,369 3.395,370 2.454,371 2.876,372 0.366,373 8.458,374 2.293,375 3.473,376 2.742,377 5.463,378 3.3,379 2.363,380 2.604,382 7.206,383 2.202,384 3.313,385 2.506,386 5.046,387 3.031,388 2.069,389 2.429,391 5.86,392 1.981,393 3.121,394 2.111,395 4.771,396 2.795,397 1.805,398 2.286,400 4.696,401 1.776,402 2.846,403 1.746,404 4.547,405 2.438,406 1.487,407 1.971,409 4.292,410 1.411,411 2.615,412 1.512,413 4.213,414 2.358,415 1.371,416 1.629,418 3.092,419 1.345,420 2.517,421 1.171,422 3.728,423 2.127,424 1.133,425 1.521,427 3.059,428 1.126,429 2.334,430 1,431 3.705,432 2,433 1,434 1.292,436 2.304,437 1,438 1.785,439 0.932,440 3.466,441 1.694,442 0.729,443 0.761,445 1.822,446 0.702,447 1.281,448 0.738,449 3.088,450 1.011,451 0.089,452 0.102,454 0.24,455 0.081,456 1.208,457 0.388,458 2.983,459 0.803,460 -0.184,461 -0.225,463 -0.454,464 -0.179,465 0.762,466 -0.016,467 2.617,468 0.638,469 -0.305,470 -0.325,472 -0.75,473 -0.286,474 13.367,475 0.477,476 0.95,477 0.034,478 33.25,479 1.188,480 15,481 0.536,482 18.25,483 0.652,484 27.97,485 0.999,486 31.033,487 0.544,488 24.969,489 0.892,490 6.12,491 0.219,492 7.189,493 0.257,494 0.212,495 0.037,496 0.359,501 0.813,502 1.444,503 0.884,504 1.197,505 0.663,506 1.066,507 0.699,508 0.893,509 0.802,510 0.805,511 0.396,512 0.8,513 0.974,514 1.349,515 1.055,516 1.219,517 0.719,518 1.158,519 0.997,520 1.039,521 1.044,522 1.032,523 0.667,524 1.026,525 1.145,526 1.178,527 1.16,528 1.258,529 1.281,530 1.218,531 1.508,532 0.679,533 0.777,534 0.695,535 1.463,536 0.672,537 2.698,538 0.787,539 1.201,540 0.752,541 2.987,542 0.827,543 1.886,544 0.917,545 1.261,546 0.927,547 2.638,548 1.013,549 7,550 0.258,551 4.444,552 4.021,553 1.748,554 1.056,555 0.612,556 0.363,557 0.311,558 0.266,559 9658,560 19580,561 2.043,562 50.9,563 10,564 15,565 1,567 1,569 2,572 1.709,573 1.856,574 3.333,575 -0.394,582 80.796,583 1.417,584 3.336,585 4.54,586 5.135,587 5.205,588 5.205,589 2.717,590 4.495,591 4.784,592 3.539,593 1337.93,594 8.307,595 17568.9,600 332.475,601 1.708,602 4.703,603 0.226,604 0.01,605 0.095,606 0.08,607 0.039,608 0.031,609 0.021,610 0.013,611 0.012,612 0.011,613 0.538,614 0.33,615 1,616 0.82,617 140.048,618 0.009,619 -0.205,620 0.074,621 -0.072,622 -0.057,623 -0.005,624 0.299,625 0.266,626 0.19,627 0.218,628 0.254,629 0.198,630 -0.059,631 -0.243,632 -0.086,633 -0.167,634 -0.017,635 -0.138,636 -0.074,637 -0.002,638 -0.061,639 -0.064,640 0.07,641 -0.054,642 -0.012,643 -0.209,644 -0.167,645 -0.278,646 -0.059,647 -0.243,648 0.022,649 0.128,650 0.264,651 0.218,652 0.034,653 0.261,654 -0.268,655 0.146,656 -0.077,657 0.191,658 -0.308,659 0.082,660 -0.19,661 0.175,662 -0.207,663 0.061,664 -0.271,665 -0.061,666 2.121,667 5.529,668 0.643,669 23.148,670 0.99,671 1.128,672 3.735,673 13.952,674 0.646,675 3.466,676 3.871,677 4.205,678 4.543,679 4.727,680 4.796,681 4.949,682 5.017,683 5.024,684 5.118,685 6.481,686 0.602,687 379.55,688 3.466,689 5.056,690 5.948,691 6.88,692 7.794,693 8.734,694 9.659,695 10.603,696 11.537,697 12.485,698 5.3,701 1,704 1,705 1,715 7,720 5,722 12,736 1,737 1,741 57,743 13,744 2,745 31,747 60,748 23,749 12,750 5,751 7,756 4,757 7,763 3,764 1,766 1,767 1,770 1,772 13,773 10,774 1,777 1,782 1,786 1,793 29,794 5,795 1,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 5,868 28,876 2,877 1,878 1,880 2,881 2,882 1,893 3.5,896 1,898 1,901 15.083,902 11.733,903 5.958,904 3.524,907 2.283,908 1.292,909 0.953,910 4.883,911 10.094,912 3.664,913 4.248,914 4.787,915 5.344,916 5.815,917 5.982,918 6.3,919 6.539,920 6.67,921 6.906,922 0.857,923 50,924 10.399,926 4.454,927 0.026,929 7.568,931 20.351,933 17.329,936 2.068,937 57.917,940 1,941 329.591,942 138.133,943 24.259,945 36.145,948 138.133,949 365.736,950 24.259,951 43.268,952 22.651,953 66.334,954 25.145,955 34.377,956 18.534,957 317.82,959 329.591,960 162.392,961 36.145,964 306.049,965 59.687,968 52.251,969 110.141,972 329.591,973 60.404,974 138.133,977 329.591,978 28.531,979 115.851,980 18.011,981 36.145,982 329.591,983 60.404,984 138.133,986 0.602,987 0.365,988 0.207,989 0.107,990 25,991 12,992 0.067,993 4,994 2,995 1.222,996 3.83,997 254.272,998 0.222,999 18,1000 132.606,1005 19.285,1006 7.089,1007 3.222,1009 60.404,1010 13.838,1015 4.963,1017 18.011,1018 528.128,1019 38,1024 12.529,1028 -0.454,1031 56.447,1032 64.311,1034 0.243,1035 0.572,1036 0.778,1037 0.88,1038 0.892,1039 0.892,1040 4.97,1041 1.487,1042 6.004,1043 4.696,1044 4.554,1045 4.934,1046 2.466,1047 6.952,1048 4.484,1049 6.195,1050 1.371,1051 7.658,1052 4.292,1053 4.443,1054 4.856,1055 1.905,1056 8.32,1057 4.349,1058 7.537,1059 1.133,1060 9.428,1061 3.092,1062 6.312,1063 7.064,1064 3.531,1065 11.486,1066 6.184,1067 8.915,1068 1,1069 11.273,1070 3.059,1071 7.022,1072 7.749,1073 3.612,1074 13.751,1075 6.883,1076 10.33,1077 0.729,1078 13.17,1079 2.304,1080 8.46,1081 9.516,1082 4.913,1083 16.567,1084 8.296,1085 11.771,1086 0.089,1087 15.105,1088 1.822,1089 9.524,1090 10.554,1091 5.293,1092 19.151,1093 9.35,1094 13.236,1095 -0.184,1096 17.071,1097 0.24,1098 10.841,1099 12.14,1100 6.388,1101 21.893,1102 10.648,1103 3.737,1104 -0.305,1105 19.06,1106 -0.454,1107 12.051,1108 13.356,1109 6.931,1110 24.577,1111 11.843,1112 2.978,1113 15.306,1114 21.068,1115 -0.75,1116 13.346,1117 14.856,1118 7.902,1119 27.306,1120 13.12,1121 2.679,1122 9.799,1123 23.091,1124 4.206,1125 14.615,1126 16.165,1127 8.539,1128 30.02,1129 14.37,1130 2.454,1131 8.828,1132 25.127,1133 3.864,1134 15.913,1135 17.624,1136 9.436,1137 32.748,1138 15.648,1139 2.363,1140 8.458,1141 27.171,1142 3.315,1143 17.206,1144 18.984,1145 10.13,1146 35.471,1147 16.922,1148 2.069,1149 7.206,1150 29.224,1151 2.876,1152 18.51,1153 20.423,1154 10.981,1155 38.199,1156 18.206,1157 1.805,1158 5.86,1159 31.282,1160 2.604,1161 19.815,1162 21.81,1163 11.71,1164 40.926,1165 19.49,1166 9248,1167 13318,1168 19.997,1169 36.824,1170 48.22,1171 49.073,1172 50.812,1173 47.759,1174 47.789,1175 57.71,1176 8.422,1177 149.925,1178 46.127,1179 5.797,1180 5.973,1181 7.687,1182 5.807,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 16.62,1189 1.555,1190 1.583,1191 1.639,1192 1.541,1193 1.542,1194 1.862,1195 0.272,1196 4.836,1197 1.488,1198 4.094,1199 4.132,1200 4.041,1201 3.998,1202 7.435,1203 4.003,1204 3.951,1205 3.984,1206 3.888,1207 3.883,1208 4.843,1209 3.879,1210 3.701,1211 3.743,1212 3.618,1213 3.563,1214 4.74,1215 3.567,1216 3.502,1217 3.574,1218 3.355,1219 3.368,1220 4.446,1221 3.346,1222 3.394,1223 3.436,1224 3.299,1225 3.113,1226 4.143,1227 3.158,1228 3.272,1229 3.362,1230 3.101,1231 3.047,1232 4.14,1233 3.042,1234 3.227,1235 3.31,1236 3.036,1237 2.995,1238 3.929,1239 3.006,1240 2.976,1241 3.093,1242 2.71,1243 2.761,1244 3.887,1245 2.727,1246 0.156,1247 0.128,1248 0.258,1249 0.152,1250 0.121,1251 4.832,1252 0.136,1253 3.973,1254 0.071,1255 8.006,1256 0.494,1257 4.714,1258 0.118,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.941,1265 1.913,1266 2.067,1267 2.04,1268 1.31,1269 2.048,1270 1.901,1271 1.88,1272 2.003,1273 1.985,1274 1.257,1275 1.991,1276 1.633,1277 1.577,1278 1.832,1279 1.836,1280 1.058,1281 1.837,1282 1.535,1283 1.46,1284 1.801,1285 1.756,1286 1.012,1287 1.775,1288 1.526,1289 1.452,1290 1.787,1291 1.706,1292 0.901,1293 1.742,1294 1.255,1295 1.204,1296 1.58,1297 1.56,1298 0.644,1299 1.545,1300 1.152,1301 1.081,1302 1.453,1303 1.443,1304 0.563,1305 1.434,1306 1.014,1307 0.899,1308 1.417,1309 1.291,1310 0.469,1311 1.353,1312 4.143,1314 5.525,1315 3.045,1316 7.102,1317 5.638,1318 8.776,1319 7.921,1320 10.507,1322 10.853,1328 2.172,1329 2.9,1330 5.652,1332 0.674,1333 4.737,1334 0.054,1340 34.342,1341 80.796,1342 190.178,1343 258.784,1344 292.7,1345 296.7,1346 296.7,1347 45.727,1348 7.81,1349 44.81,1350 44.81,1351 22,1352 12.978,1353 3.807,1354 3,1355 42.593,1356 111,1357 88,1358 0.19,1359 209.704,1360 367.32,1361 503.439,1362 26906,1364 20.052,1365 0.716,1366 0.619,1367 20.052,1368 17.321,1369 13.308,1370 0.429,1371 0.321,1372 9.84,1373 12.856,1374 9.39,1375 7.878,1376 13.308,1377 9.964,1378 12.885,1379 0.274,1380 0.182,1381 12.885,1382 8.568,1383 10.879,1384 0.165,1385 0.096,1386 10.879,1387 6.331,1388 9.824,1389 0.106,1390 0.053,1391 9.824,1392 4.975,1393 7.517,1394 0.067,1395 0.029,1396 7.517,1397 3.221,1398 0.299,1399 82.934,1400 0.224,1401 26.526,1402 0.522,1403 156,1404 377.094,1405 169.359,1406 366.794,1407 514.03,1408 344,1409 191,1410 394.092,1411 204.808,1412 402.361,1413 595.36,1414 376,1415 7.824}
{0 CHEMBL130363,1 1.417,2 11.036,3 5.386,4 29.005,5 113.298,6 6.659,7 0.387,8 4.123,9 4.253,10 3.605,11 3.644,12 5.121,13 3.605,14 4.708,15 4.912,16 4.04,17 4.086,18 5.663,19 4.033,20 4.937,21 5.111,22 4.147,23 4.309,24 5.871,25 4.225,26 5.202,27 5.461,28 4.072,29 4.367,30 6.051,31 4.239,32 5.147,33 5.388,34 3.898,35 4.244,36 6.103,37 4.083,38 5.134,39 5.456,40 3.613,41 3.941,42 5.96,43 3.782,44 4.464,45 4.671,46 3.614,47 3.693,48 5.512,49 3.625,50 4.52,51 4.707,52 3.536,53 3.723,54 5.661,55 3.647,56 0.046,57 0.825,58 13.348,59 5.404,60 9.984,61 7.616,62 0.422,63 1.372,64 25.282,65 8.993,66 34.549,67 13.13,68 0.181,69 1.734,70 31.128,71 11.951,72 27.319,73 17.044,74 0.395,75 2.038,76 42.13,77 14.175,78 42.84,79 21.225,80 0.297,81 1.801,82 39.66,83 14.751,84 57.104,85 20.989,86 0.721,87 1.469,88 41.936,89 12.585,90 78.861,91 18.189,92 0.252,93 0.95,94 20.111,95 7.215,96 27.658,97 9.971,98 0.43,99 1,100 21.867,101 6.89,102 51.666,103 9.417,104 50,105 48,106 0.234,107 0.545,108 0.75,109 0.803,110 0.827,111 0.827,112 3.375,113 0.953,114 -4.97,115 -4.87,116 -4.57,121 40.4,122 4,123 1,125 1,126 2,127 1,130 1,144 5,145 4,146 3,161 1,176 12,179 2,180 7,183 2,185 2,187 14,192 8,197 4,200 13,206 9,211 3,214 8,218 1,219 13,224 3,227 2,231 1,232 3,237 1,239 4,243 1,244 4,247 1,249 2,251 12,255 1,259 1,264 12,269 2,277 12,281 1114,282 18.134,283 18.134,284 18.134,285 18.134,286 18.134,287 16.437,288 28.41,289 10.068,290 18.491,291 15.228,292 15.228,293 15.228,294 15.228,295 15.228,296 12.603,297 39.703,298 4.731,299 15.804,300 4.415,301 2.527,302 1.283,303 0.961,304 0.816,305 0.816,306 4.06,311 1,312 1,313 673,314 3.606,317 111.659,318 154.035,320 90.071,321 95.024,324 133.088,325 1.536,326 19.538,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 59.5,338 309,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 4.393,349 3.686,350 6.434,351 4.013,352 3.03,353 4.076,354 0.966,355 9.852,356 2.981,357 3.978,358 3.138,359 6.211,360 3.633,361 2.678,362 3.317,363 0.693,364 8.827,365 2.556,366 3.682,367 2.818,368 6.169,369 3.394,370 2.453,371 2.924,372 0.366,373 8.457,374 2.294,375 3.506,376 2.742,377 5.447,378 3.302,379 2.362,380 2.763,382 7.175,383 2.213,384 3.411,385 2.506,386 5.046,387 3.109,388 2.137,389 2.533,391 6.056,392 2.067,393 3.253,394 2.333,395 4.879,396 2.879,397 1.888,398 2.481,400 5.225,401 1.879,402 3.232,403 2.147,404 4.82,405 2.868,406 1.879,407 2.398,409 5.193,410 1.831,411 2.616,412 1.746,413 4.666,414 2.417,415 1.471,416 1.63,418 4.357,419 1.386,420 2.518,421 1.18,422 4.214,423 2.128,424 1.133,425 1.523,427 3.06,428 1.126,429 1.796,430 1.171,431 3.724,432 1.7,433 0.737,434 0.768,436 1.852,437 0.707,438 1.753,439 0.924,440 3.337,441 1.538,442 0.576,443 0.641,445 1.489,446 0.549,447 1.232,448 0.69,449 3.087,450 0.878,451 -0.065,452 -0.078,454 -0.172,455 -0.06,456 1,457 0.018,458 2.796,459 0.653,460 -0.3,461 -0.309,463 -0.743,464 -0.28,465 0.762,466 -0.028,467 2.653,468 0.64,469 -0.347,470 -0.445,472 -0.898,473 -0.347,474 13.367,475 0.477,476 1.056,477 0.038,478 33.25,479 1.188,480 15,481 0.536,482 18.25,483 0.652,484 28.731,485 1.026,486 31.033,487 0.544,488 24.973,489 0.892,490 6.301,491 0.225,492 6.901,493 0.246,494 0.249,495 0.037,496 0.397,501 0.813,502 1.444,503 0.884,504 1.197,505 0.671,506 1.066,507 0.69,508 0.825,509 0.737,510 0.726,511 0.373,512 0.721,513 1.01,514 1.472,515 1.122,516 1.322,517 0.76,518 1.25,519 1.053,520 0.97,521 1.074,522 0.992,523 0.692,524 1.01,525 1.001,526 1.357,527 1.168,528 1.44,529 1.18,530 1.347,531 1.919,532 0.442,533 0.811,534 0.439,535 1.955,536 0.504,537 1.4,538 1.045,539 0.918,540 1.018,541 1.392,542 0.941,543 2.512,544 0.917,545 1.46,546 0.939,547 3.411,548 1.073,549 8,550 0.241,551 4.667,552 4.271,553 2.131,554 0.819,555 0.776,556 0.356,557 0.348,558 0.333,559 9634,560 19532,561 2.022,562 50.9,563 12,564 13,565 1,567 1,569 2,572 1.708,573 1.816,574 3.36,575 -0.394,582 80.796,583 1.417,584 3.306,585 4.549,586 4.872,587 5.017,588 5.017,589 2.78,590 4.396,591 4.784,592 3.554,593 1343.53,594 8.304,595 17528.8,600 332.475,601 1.728,602 4.691,603 0.258,604 0.009,605 0.097,606 0.084,607 0.047,608 0.025,609 0.029,610 0.012,611 0.013,612 0.013,613 0.588,614 0.5,615 1,616 0.672,617 139.995,618 0.009,619 -0.205,620 0.074,621 -0.072,622 -0.067,623 -0.005,624 0.311,625 0.326,626 0.257,627 0.292,628 0.274,629 0.275,630 -0.075,631 -0.33,632 -0.154,633 -0.251,634 -0.041,635 -0.222,636 -0.108,637 0.074,638 -0.088,639 -0.033,640 0.04,641 -0.044,642 0.058,643 -0.399,644 -0.189,645 -0.434,646 0.029,647 -0.353,648 -0.121,649 0.331,650 0.263,651 0.431,652 -0.148,653 0.394,654 0.098,655 -0.034,656 0.111,657 -0.006,658 0.11,659 0.04,660 -0.355,661 0.142,662 -0.364,663 0.025,664 -0.472,665 -0.151,666 2.119,667 5.543,668 0.643,669 22.857,670 0.99,671 1.128,672 3.735,673 13.952,674 0.646,675 3.466,676 3.892,677 4.22,678 4.564,679 4.745,680 4.812,681 4.956,682 5.011,683 5.043,684 5.13,685 6.483,686 0.602,687 379.55,688 3.466,689 5.069,690 5.964,691 6.903,692 7.817,693 8.76,694 9.686,695 10.632,696 11.566,697 12.514,698 5.3,701 1,704 1,705 1,715 5,720 7,722 12,736 1,737 1,741 57,743 13,744 2,745 31,747 60,748 23,749 12,750 7,751 5,756 4,757 7,763 4,764 1,766 1,767 1,770 1,772 13,773 10,777 1,782 1,786 1,793 29,794 5,795 1,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 6,868 28,876 2,877 1,878 1,880 1,881 2,882 1,893 3.5,896 1,898 1,901 15.417,902 12.233,903 5.875,904 3.419,907 2.253,908 1.288,909 0.96,910 4.673,911 10.065,912 3.664,913 4.29,914 4.824,915 5.389,916 5.859,917 6.042,918 6.298,919 6.535,920 6.705,921 6.907,922 1,923 51,924 10.395,926 4.449,927 0.026,929 7.568,931 20.328,933 17.272,936 2.068,937 57.917,941 329.591,942 134.377,943 24.259,945 36.145,948 134.377,949 365.736,950 24.259,951 52.094,952 22.651,953 47.381,954 25.145,955 40.748,956 18.534,957 317.82,959 329.591,960 158.636,961 36.145,964 306.049,965 59.687,968 61.076,969 97.56,972 329.591,973 60.404,974 134.377,977 329.591,978 34.902,979 105.723,980 18.011,981 36.145,982 329.591,983 60.404,984 134.377,986 0.61,987 0.37,988 0.209,989 0.107,990 26,991 13,992 0.05,993 3,994 2,995 1.222,996 3.798,997 255.858,998 0.222,999 18,1000 128.606,1005 19.285,1006 6.784,1007 3.124,1009 60.404,1010 10.113,1015 7.142,1017 18.011,1018 524.372,1019 38,1024 12.543,1028 -0.452,1031 56.447,1032 64.311,1034 0.243,1035 0.567,1036 0.78,1037 0.835,1038 0.86,1039 0.86,1040 4.984,1041 1.879,1042 6.033,1043 5.225,1044 4.575,1045 4.977,1046 2.466,1047 6.986,1048 4.506,1049 6.231,1050 1.471,1051 7.692,1052 5.193,1053 4.511,1054 5.007,1055 1.905,1056 8.34,1057 4.424,1058 7.588,1059 1.133,1060 9.463,1061 4.357,1062 6.344,1063 7.155,1064 3.531,1065 11.505,1066 6.22,1067 8.976,1068 0.737,1069 11.304,1070 3.06,1071 7.066,1072 7.909,1073 3.612,1074 13.755,1075 6.931,1076 10.397,1077 0.576,1078 13.195,1079 1.852,1080 8.488,1081 9.639,1082 4.913,1083 16.573,1084 8.327,1085 11.842,1086 -0.065,1087 15.125,1088 1.489,1089 9.553,1090 10.725,1091 5.293,1092 19.152,1093 9.381,1094 13.308,1095 -0.3,1096 17.086,1097 -0.172,1098 10.864,1099 12.292,1100 6.388,1101 21.895,1102 10.672,1103 3.737,1104 -0.347,1105 19.071,1106 -0.743,1107 12.072,1108 13.542,1109 6.931,1110 24.578,1111 11.866,1112 3.03,1113 15.306,1114 21.076,1115 -0.898,1116 13.364,1117 15.036,1118 7.902,1119 27.307,1120 13.138,1121 2.678,1122 9.852,1123 23.098,1124 4.206,1125 14.631,1126 16.37,1127 8.539,1128 30.021,1129 14.387,1130 2.453,1131 8.827,1132 25.131,1133 4.076,1134 15.927,1135 17.829,1136 9.436,1137 32.748,1138 15.663,1139 2.362,1140 8.457,1141 27.175,1142 3.317,1143 17.219,1144 19.206,1145 10.13,1146 35.471,1147 16.935,1148 2.137,1149 7.175,1150 29.226,1151 2.924,1152 18.521,1153 20.647,1154 10.981,1155 38.199,1156 18.217,1157 1.888,1158 6.056,1159 31.284,1160 2.763,1161 19.825,1162 22.047,1163 11.71,1164 40.926,1165 19.499,1166 9231,1167 13293,1168 19.709,1169 36.824,1170 48.531,1171 49.685,1172 51.58,1173 48.162,1174 48.161,1175 58.52,1176 8.422,1177 153.699,1178 46.493,1179 5.797,1180 5.973,1181 7.277,1182 5.807,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 17.944,1189 1.566,1190 1.603,1191 1.664,1192 1.554,1193 1.554,1194 1.888,1195 0.272,1196 4.958,1197 1.5,1198 4.095,1199 4.132,1200 4.042,1201 3.999,1202 7.435,1203 4.005,1204 3.969,1205 3.999,1206 3.913,1207 3.907,1208 4.842,1209 3.905,1210 3.701,1211 3.743,1212 3.619,1213 3.563,1214 4.725,1215 3.567,1216 3.424,1217 3.467,1218 3.358,1219 3.185,1220 4.446,1221 3.207,1222 3.289,1223 3.381,1224 3.119,1225 3.125,1226 4.149,1227 3.101,1228 3.266,1229 3.35,1230 3.067,1231 3.079,1232 4.004,1233 3.08,1234 3.249,1235 3.341,1236 3.051,1237 3.043,1238 3.966,1239 3.032,1240 3.18,1241 3.249,1242 2.999,1243 2.914,1244 3.9,1245 2.943,1246 0.156,1247 0.128,1248 0.258,1249 0.152,1250 0.121,1251 4.832,1252 0.136,1253 3.973,1254 0.071,1255 8.006,1256 0.494,1257 4.714,1258 0.118,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.959,1265 1.933,1266 2.072,1267 2.049,1268 1.31,1269 2.056,1270 1.901,1271 1.882,1272 2.003,1273 1.986,1274 1.23,1275 1.991,1276 1.633,1277 1.577,1278 1.832,1279 1.836,1280 1.057,1281 1.837,1282 1.534,1283 1.453,1284 1.787,1285 1.755,1286 1.012,1287 1.775,1288 1.338,1289 1.278,1290 1.639,1291 1.597,1292 0.723,1293 1.589,1294 1.303,1295 1.226,1296 1.639,1297 1.507,1298 0.719,1299 1.557,1300 1.235,1301 1.156,1302 1.58,1303 1.495,1304 0.644,1305 1.531,1306 1.092,1307 1.035,1308 1.453,1309 1.413,1310 0.563,1311 1.405,1312 4.143,1314 5.541,1315 3.045,1316 7.127,1317 5.638,1318 8.808,1319 7.921,1320 10.545,1322 12.684,1328 2.172,1329 2.914,1330 5.657,1332 0.351,1333 4.737,1334 0.054,1340 34.342,1341 80.796,1342 188.459,1343 259.316,1344 277.681,1345 285.945,1346 285.945,1347 45.181,1348 7.812,1349 44.81,1350 44.81,1351 22,1352 13.007,1353 3.807,1354 3,1355 42.625,1356 111,1357 106,1358 0.191,1359 209.704,1360 367.32,1361 503.439,1362 26562,1364 20.215,1365 0.722,1366 0.628,1367 20.215,1368 17.589,1369 13.202,1370 0.426,1371 0.318,1372 9.724,1373 12.752,1374 9.197,1375 7.733,1376 13.202,1377 9.848,1378 13.128,1379 0.273,1380 0.179,1381 13.128,1382 8.6,1383 11.034,1384 0.165,1385 0.096,1386 11.034,1387 6.416,1388 10.106,1389 0.106,1390 0.055,1391 10.106,1392 5.23,1393 7.504,1394 0.066,1395 0.028,1396 7.504,1397 3.187,1398 0.3,1399 82.297,1400 0.225,1401 26.514,1402 0.522,1403 158,1404 383.094,1405 171.359,1406 373.781,1407 523.35,1408 350,1409 194,1410 401.092,1411 207.975,1412 412.252,1413 608.15,1414 383,1415 5.886}
{0 CHEMBL130373,1 1.59,2 5.667,3 1.173,4 1.375,5 57.21,6 7.74,7 0.647,8 3.405,9 3.522,10 3.018,11 2.941,12 4.528,13 2.944,14 3.924,15 4.081,16 3.373,17 3.334,18 4.988,19 3.316,20 4.13,21 4.326,22 3.44,23 3.43,24 5.16,25 3.392,26 4.094,27 4.306,28 3.247,29 3.284,30 5.213,31 3.228,32 3.973,33 4.216,34 2.864,35 3.076,36 4.978,37 2.968,38 3.69,39 3.971,40 2.286,41 2.742,42 4.464,43 2.558,44 3.329,45 3.673,46 1.507,47 2.188,48 3.961,49 1.938,50 2.428,51 2.803,52 0.399,53 1.249,54 2.918,55 0.958,56 0.033,57 0.409,58 5.059,59 2.176,60 5.806,61 2.766,62 0.146,63 0.638,64 9.716,65 3.786,66 11.112,67 4.935,68 0.147,69 0.761,70 12.758,71 4.671,72 13.362,73 6.35,74 0.236,75 0.716,76 12.694,77 3.99,78 25.556,79 5.557,80 0.266,81 0.586,82 12.103,83 3.696,84 25.889,85 5.181,86 0.114,87 0.412,88 9.476,89 3.219,90 14.222,91 4.722,92 0.115,93 0.259,94 7.429,95 2.135,96 12.056,97 3.36,98 0.046,99 0.092,100 3.067,101 0.831,102 5,103 1.384,104 2,105 24,106 0.314,107 0.728,108 0.852,109 0.867,110 0.867,111 0.867,112 2.799,113 0.884,114 -2.32,115 -2.36,116 -2.32,121 42.3,123 2,127 1,144 1,145 2,146 1,147 2,148 1,149 1,165 1,166 1,167 1,176 3,179 1,180 5,185 2,187 2,189 2,191 1,192 4,197 2,200 2,203 2,206 2,208 2,209 2,211 1,214 2,216 1,218 1,219 2,221 1,222 1,227 1,232 1,244 1,281 142,282 10.414,283 10.414,284 10.414,285 10.414,286 10.414,287 9.074,288 8.875,289 6.183,290 10.677,291 8.4,292 8.4,293 8.4,294 8.4,295 8.4,296 6.368,297 8.831,298 2.924,299 8.83,300 3.11,301 1.01,302 0.385,303 0.308,304 0.308,305 0.308,306 3.476,311 1,312 1,313 189,314 1.581,318 70.902,322 78.581,325 0.889,326 13.053,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 32.5,338 85,339 4.625,340 3.366,341 6.769,342 4.174,343 3.203,344 4.554,345 0.86,346 11.036,347 3.112,348 3.912,349 2.729,350 5.982,351 3.498,352 2.532,353 3.433,355 8.37,356 2.445,357 3.472,358 2.319,359 5.279,360 3.016,361 2.087,362 2.852,364 6.329,365 1.93,366 2.935,367 1.691,368 4.116,369 2.47,370 1.518,371 2.139,373 3.329,374 1.442,375 2.583,376 1.574,377 3.757,378 2.298,379 1.347,380 1.61,382 3.225,383 1.277,384 2.486,385 1.389,386 3.594,387 2.184,388 1.247,389 1.486,391 2.902,392 1.158,393 1.95,394 0.96,395 3.39,396 1.697,397 0.764,398 0.883,400 1.804,401 0.708,402 1.337,403 0.173,404 2.843,405 0.924,411 0.916,412 -0.217,413 2.404,414 0.494,415 -0.445,416 -0.568,418 -1.091,419 -0.413,420 0.57,421 -0.596,422 2,423 0.105,424 -0.84,425 -0.933,427 -1.977,428 -0.786,429 0.263,430 -0.804,431 2,432 0.073,433 -0.879,434 -1.209,436 -2.123,437 -0.836,438 0.116,439 -1.018,440 1.541,441 -0.264,442 -1.205,443 -1.584,445 -3.218,446 -1.123,447 -0.222,448 -1.375,449 1.455,450 -0.565,451 -1.528,452 -1.905,454 -4.317,455 -1.464,456 -0.5,457 -1.652,458 1.184,459 -0.842,460 -1.802,461 -2.198,463 -5.194,464 -1.668,465 -0.5,466 -1.739,467 1.048,468 -1.03,469 -2,470 -2.561,472 -5.661,473 -1.9,474 7.033,475 0.469,476 0.312,477 0.021,478 21.25,479 1.417,480 11,481 0.733,482 10.25,483 0.683,484 8.941,485 0.596,486 15.767,487 0.606,488 11.717,489 0.781,490 4.023,491 0.268,492 3.337,493 0.222,494 0.057,496 0.355,501 0.949,502 1.212,503 0.746,504 1.001,505 1.039,506 0.858,507 1.027,508 1.077,509 0.82,510 0.945,511 0.789,512 0.872,513 0.964,514 1.15,515 0.832,516 1.029,517 0.851,518 0.935,519 1.173,520 1.131,521 1.152,522 1.103,523 1.243,524 1.116,525 1.256,526 0.834,527 1.286,528 0.997,529 1.375,530 1.121,531 0.798,532 0.986,533 1.138,534 1.168,535 0.91,536 1.205,537 0.801,538 0.665,539 1.006,540 0.789,541 0.796,542 0.902,543 0.544,544 0.484,545 0.9,546 0.665,547 0.659,548 0.794,549 2,551 1.778,552 1.188,553 1.08,554 0.236,555 0.078,559 1569,560 4006,561 2.186,562 42.3,563 2,564 3,566 2,567 2,569 2,572 1.537,573 2.093,574 2.568,575 0.496,579 1,582 41.349,583 1.59,584 3.69,585 4.316,586 4.393,587 4.393,588 4.393,589 1.933,590 3.107,591 3.886,592 2.554,593 268.133,594 6.537,595 2131.14,597 1,600 122.211,601 1.231,602 3.859,603 0.118,605 0.074,606 0.047,607 0.057,608 0.02,609 0.013,613 0.329,614 0.67,615 1,616 0.521,617 56.365,618 -0.104,619 -0.065,620 0.046,621 0.004,622 -0.124,623 0.05,624 0.002,625 -0.031,626 0.056,627 0.054,628 0.036,629 0.06,630 -0.011,631 -0.157,632 0.09,633 -0.05,634 0.043,635 0.018,636 -0.059,637 -0.112,638 -0.2,639 -0.193,640 -0.017,641 -0.217,642 -0.104,643 0.116,644 -0.286,645 -0.079,646 -0.192,647 -0.191,648 -0.043,649 -0.148,650 -0.128,651 -0.186,652 -0.102,653 -0.173,654 -0.032,655 0.096,656 0.111,657 0.163,658 -0.038,659 0.165,660 0.069,661 0.222,662 0.27,663 0.28,664 0.074,665 0.315,666 0.987,667 2.092,668 0.933,669 6.373,670 1.006,671 1.129,672 1.092,673 1.193,674 0.674,675 2.89,676 3.219,677 3.555,678 3.85,679 4.111,680 4.111,681 4.174,682 4.205,683 4.205,684 3.807,685 3.459,686 0.649,687 201.25,688 2.89,689 4.419,690 5.293,691 6.184,692 7.076,693 7.974,694 8.871,695 9.771,696 10.669,697 11.57,698 11.5,702 1,708 2,714 2,715 3,716 2,720 3,722 11,733 1,739 1,741 26,743 11,745 17,747 28,748 11,749 8,756 3,757 6,767 2,770 2,772 8,773 3,790 1,793 11,794 4,795 2,796 4,802 3,808 0.333,809 1,822 2,829 3,833 2,859 1,868 15,869 1,876 3,878 1,893 3.8,898 1,901 7.167,902 4.65,903 3.278,904 1.594,907 2.411,908 1.378,909 1.038,910 1.908,911 8.783,912 3.157,913 3.818,914 4.494,915 5.135,916 5.749,917 6.056,918 6.403,919 6.723,920 7.009,921 6.654,922 0.75,923 25,924 5.519,925 -0.001,926 2.376,927 0.026,929 7.656,931 10.633,933 8.91,936 2.156,937 32.333,938 0.005,941 105.94,942 52.707,943 66.468,945 11,948 52.707,949 116.94,950 66.468,952 9.661,953 42.373,954 57.113,955 39.754,956 4.815,957 82.398,959 105.94,960 119.175,961 11,964 82.398,965 34.542,968 29.9,969 55.703,970 33.571,972 105.94,973 77.468,974 52.707,977 105.94,978 25.135,979 27.571,981 77.468,982 105.94,983 77.468,984 52.707,986 0.58,987 0.358,988 0.208,989 0.115,990 14,991 5,994 2,995 1.286,996 2.744,997 106.595,998 0.286,999 14,1000 58.603,1005 8.774,1006 3.262,1007 1.303,1008 1.768,1009 77.468,1010 5.34,1011 8.441,1015 2.51,1017 32.897,1018 236.115,1019 22.5,1031 26.167,1032 29.365,1034 0.338,1035 0.785,1036 0.918,1037 0.935,1038 0.935,1039 0.935,1040 4.379,1042 5.273,1043 1.804,1044 3.892,1045 4.5,1046 0.908,1047 6.12,1048 3.801,1049 5.595,1050 -0.445,1051 6.849,1053 3.434,1054 4.407,1056 7.091,1057 3.336,1058 6.922,1059 -0.84,1060 8.534,1061 -1.091,1062 5.501,1063 6.825,1064 0.739,1065 10.251,1066 5.346,1067 8.294,1068 -0.879,1069 10.285,1070 -1.977,1071 5.916,1072 7.603,1074 12.062,1075 5.759,1076 9.703,1077 -1.205,1078 12.078,1079 -2.123,1080 7.434,1081 9.484,1082 0.593,1083 14.733,1084 7.229,1085 11.138,1086 -1.528,1087 13.897,1088 -3.218,1089 8.26,1090 10.659,1092 16.874,1093 8.047,1094 12.594,1095 -1.802,1096 15.736,1097 -4.317,1098 9.554,1099 12.324,1100 0.469,1101 19.377,1102 9.302,1103 3.203,1104 -2,1105 17.588,1106 -5.194,1107 10.567,1108 13.684,1110 21.66,1111 10.299,1112 2.532,1113 11.036,1114 19.45,1115 -5.661,1116 11.774,1117 15.259,1118 0.366,1119 24.1,1120 11.473,1121 2.087,1122 8.37,1123 21.32,1124 4.554,1125 12.87,1126 16.705,1128 26.445,1129 12.547,1130 1.518,1131 6.329,1132 23.196,1133 3.433,1134 14.045,1135 18.243,1136 0.283,1137 28.861,1138 13.691,1139 1.347,1140 3.329,1141 25.077,1142 2.852,1143 15.178,1144 19.727,1146 31.236,1147 14.798,1148 1.247,1149 3.225,1150 26.963,1151 2.139,1152 16.343,1153 21.251,1154 0.217,1155 33.642,1156 15.934,1157 0.764,1158 2.902,1159 28.852,1160 1.61,1161 17.491,1162 22.752,1164 36.03,1165 17.056,1166 1532,1167 2529,1168 11.731,1169 17.517,1170 25.424,1171 25.766,1172 26.284,1173 25.415,1174 25.399,1175 33.915,1176 1.72,1177 73.989,1178 24.144,1179 5.57,1180 5.366,1181 6.454,1182 5.262,1183 5.203,1184 7.554,1185 1.72,1186 18.567,1187 5.062,1188 3.991,1189 1.496,1190 1.516,1191 1.546,1192 1.495,1193 1.494,1194 1.995,1195 0.101,1196 4.352,1197 1.42,1198 4.082,1199 4.111,1200 4.051,1201 3.983,1202 5.182,1203 3.996,1204 3.676,1205 3.723,1206 3.575,1207 3.536,1208 4.87,1209 3.536,1210 3.253,1211 3.335,1212 3.131,1213 3.068,1214 4.675,1215 3.072,1216 3.079,1217 3.147,1218 2.994,1219 2.877,1220 4.103,1221 2.896,1222 2.822,1223 2.919,1224 2.612,1225 2.556,1226 3.802,1227 2.555,1228 2.694,1229 2.795,1230 2.504,1231 2.453,1232 3.647,1233 2.465,1234 2.509,1235 2.569,1236 2.393,1237 2.234,1238 3.272,1239 2.259,1240 2.03,1241 2.185,1242 1.746,1243 1.688,1244 2.996,1245 1.672,1246 0.272,1247 0.198,1248 0.398,1249 0.246,1250 0.188,1251 4.625,1252 0.268,1253 3.366,1254 0.051,1255 6.769,1256 0.649,1257 4.174,1258 0.183,1259 3.203,1260 4.554,1261 0.86,1262 11.036,1263 3.112,1264 2.022,1265 1.997,1266 2.092,1267 2.141,1268 1.313,1269 2.127,1270 1.655,1271 1.608,1272 1.859,1273 1.829,1274 1.055,1275 1.841,1276 1.212,1277 1.144,1278 1.426,1279 1.46,1280 0.572,1281 1.456,1282 1.007,1283 0.949,1284 1.213,1285 1.259,1286 0.289,1287 1.242,1288 0.798,1289 0.705,1290 1.189,1291 1.126,1292 0.172,1293 1.158,1294 0.643,1295 0.554,1296 0.973,1297 0.955,1299 0.974,1300 0.449,1301 0.362,1302 0.759,1303 0.697,1305 0.713,1306 0.058,1308 0.575,1309 0.438,1311 0.501,1312 3.555,1314 4.875,1316 6.435,1318 8.104,1320 9.827,1326 6.092,1328 2.688,1330 5.493,1340 16.886,1341 41.349,1342 95.947,1343 112.211,1344 114.211,1345 114.211,1346 114.211,1347 15.575,1348 6.372,1349 61.03,1350 61.03,1351 18,1352 12.092,1353 3.585,1354 2.7,1355 19.787,1356 34,1357 20,1358 0.336,1359 103.848,1360 168.57,1361 245.15,1362 4073,1364 10.251,1365 0.683,1366 0.549,1367 10.251,1368 8.233,1369 7.36,1370 0.433,1371 0.295,1372 4.934,1373 7.063,1374 4.857,1375 3.99,1376 7.36,1377 5.009,1378 6.512,1379 0.271,1380 0.152,1381 6.512,1382 3.654,1383 5.892,1384 0.173,1385 0.08,1386 5.892,1387 2.705,1388 5.149,1389 0.112,1390 0.042,1391 5.149,1392 1.936,1393 4.302,1394 0.072,1395 0.023,1396 4.302,1397 1.351,1398 0.482,1399 46.266,1400 0.292,1401 14.609,1402 1.061,1403 82,1404 234.338,1405 90.122,1406 226.427,1407 318.13,1408 214,1409 99,1410 242.229,1411 107.678,1412 244.392,1413 362,1414 231,1415 7.377}
{0 CHEMBL130427,1 1.383,2 5.667,3 1.639,4 2.688,5 59.581,6 7.117,7 0.647,8 3.445,9 3.579,10 2.993,11 3.034,12 4.491,13 3,14 3.982,15 4.164,16 3.347,17 3.452,18 4.924,19 3.388,20 4.249,21 4.481,22 3.424,23 3.57,24 5.175,25 3.48,26 4.213,27 4.455,28 3.225,29 3.447,30 5.182,31 3.333,32 4.111,33 4.386,34 2.85,35 3.249,36 5.001,37 3.087,38 3.887,39 4.202,40 2.291,41 2.911,42 4.573,43 2.682,44 3.442,45 3.794,46 1.541,47 2.32,48 4.034,49 2.04,50 2.573,51 2.966,52 0.409,53 1.329,54 3.02,55 1.01,56 0.031,57 0.438,58 6.023,59 2.445,60 5.977,61 3.441,62 0.054,63 0.71,64 10.96,65 4.397,66 7.416,67 6.293,68 0.122,69 0.879,70 15.253,71 5.589,72 14.557,73 8.214,74 0.145,75 0.835,76 14.943,77 5.038,78 20.541,79 7.54,80 0.164,81 0.709,82 14.006,83 4.575,84 22.413,85 6.906,86 0.101,87 0.512,88 11.577,89 4.006,90 13.876,91 6.072,92 0.073,93 0.302,94 7.673,95 2.515,96 9.557,97 3.898,98 0.037,99 0.108,100 3.274,101 0.994,102 4.511,103 1.587,104 2,105 24,106 0.269,107 0.665,108 0.781,109 0.836,110 0.864,111 0.864,112 2.799,113 0.948,114 -2.33,115 -2.37,116 -2.33,121 42.9,123 4,144 1,145 2,146 1,147 2,148 2,165 1,166 1,167 1,176 5,180 4,185 2,187 5,189 2,191 1,192 4,197 2,200 4,203 2,206 1,208 1,209 1,211 2,214 3,216 2,219 2,221 1,222 1,224 1,227 3,229 1,232 2,239 1,244 1,281 142,282 10.414,283 10.414,284 10.414,285 10.414,286 10.414,287 9.074,288 7.039,289 6.183,290 10.544,291 8.4,292 8.4,293 8.4,294 8.4,295 8.4,296 6.368,297 3.386,298 2.924,299 8.619,300 3.424,301 1.384,302 0.786,303 0.5,304 0.357,305 0.357,306 3.476,311 1,312 1,313 189,314 1.581,318 70.902,322 78.581,325 0.889,326 9.782,329 1,330 0.67,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.83,337 31.5,338 85,339 4.625,340 3.333,341 6.769,342 4.184,343 3.203,344 4.554,346 11.036,347 3.141,348 3.912,349 2.662,350 5.982,351 3.52,352 2.532,353 3.433,355 8.37,356 2.5,357 3.472,358 2.246,359 5.279,360 3.043,361 2.087,362 2.852,364 6.329,365 1.993,366 2.935,367 1.571,368 4.116,369 2.487,370 1.518,371 2.139,373 3.329,374 1.473,375 2.583,376 1.439,377 3.757,378 2.31,379 1.347,380 1.61,382 3.225,383 1.292,384 2.486,385 1.35,386 3.594,387 2.233,388 1.247,389 1.486,391 2.902,392 1.227,393 1.95,394 0.916,395 3.39,396 1.729,397 0.764,398 0.883,400 1.804,401 0.736,402 1.337,403 0.121,404 2.843,405 0.942,411 0.916,412 -0.404,413 2.404,414 0.525,415 -0.445,416 -0.568,418 -1.091,419 -0.43,420 0.57,421 -0.625,422 2,423 0.133,424 -0.84,425 -0.933,427 -1.977,428 -0.808,429 0.263,430 -0.826,431 2,432 0.091,433 -0.879,434 -1.209,436 -2.123,437 -0.858,438 0.116,439 -1.1,440 1.541,441 -0.235,442 -1.205,443 -1.584,445 -3.218,446 -1.168,447 -0.222,448 -1.381,449 1.455,450 -0.558,451 -1.528,452 -1.905,454 -4.317,455 -1.486,456 -0.5,457 -1.728,458 1.184,459 -0.827,460 -1.802,461 -2.198,463 -5.194,464 -1.728,465 -0.5,466 -1.814,467 1.048,468 -1,469 -2,470 -2.561,472 -5.661,473 -1.933,474 7.2,475 0.48,476 0.312,477 0.021,478 20.25,479 1.35,480 10.5,481 0.7,482 9.75,483 0.65,484 10.005,485 0.667,486 15.6,487 0.557,488 10.653,489 0.71,490 3.606,491 0.24,492 3.754,493 0.25,494 0.056,496 0.347,501 0.993,502 1.143,503 0.831,504 0.945,505 1.04,506 0.883,507 0.808,508 1.164,509 0.844,510 1.027,511 0.646,512 0.955,513 0.842,514 1.074,515 0.864,516 0.984,517 0.766,518 0.936,519 1.178,520 1.162,521 1.131,522 1.132,523 1.238,524 1.128,525 1.297,526 0.922,527 1.243,528 1.054,529 1.522,530 1.127,531 0.94,532 0.873,533 1.087,534 1.021,535 0.974,536 1.062,537 0.917,538 0.741,539 0.983,540 0.875,541 0.783,542 0.926,543 0.927,544 0.415,545 0.796,546 0.549,547 0.718,548 0.639,549 2,551 1.778,552 1.188,553 1.08,554 0.236,555 0.078,559 1569,560 3382,561 2.186,562 46.4,563 6,564 1,566 2,567 2,568 2,572 1.537,573 2.093,574 2.568,575 0.431,579 1,582 38.726,583 1.383,584 3.423,585 4.022,586 4.307,587 4.45,588 4.45,589 1.933,590 3.107,591 3.886,592 2.554,593 268.133,594 6.537,595 2131.14,597 1,600 134.606,601 1.231,602 3.859,603 0.118,605 0.074,606 0.047,607 0.057,608 0.02,609 0.013,613 0.329,614 1,615 1,616 0.521,617 56.365,618 -0.096,619 0.013,620 0.044,621 0.073,622 -0.057,623 0.074,624 -0.001,625 -0.107,626 0.056,627 -0.012,628 0.071,629 0.021,630 0.1,631 -0.075,632 0.083,633 -0.007,634 0.115,635 0.029,636 -0.057,637 -0.153,638 -0.169,639 -0.197,640 -0.026,641 -0.196,642 -0.166,643 0.042,644 -0.261,645 -0.13,646 -0.245,647 -0.192,648 -0.088,649 -0.032,650 -0.092,651 -0.061,652 -0.148,653 -0.074,654 -0.03,655 0.036,656 0.051,657 0.07,658 -0.056,659 0.069,660 0.015,661 0.281,662 0.293,663 0.378,664 0.049,665 0.368,666 0.753,667 2.172,668 0.933,669 6.373,670 0.99,671 1.128,672 1.101,673 1.212,674 0.672,675 2.89,676 3.219,677 3.555,678 3.85,679 4.111,680 4.111,681 4.174,682 4.205,683 4.205,684 3.807,685 3.459,686 0.632,687 199.28,688 2.89,689 4.419,690 5.293,691 6.184,692 7.076,693 7.974,694 8.871,695 9.771,696 10.669,697 11.57,698 10.7,702 1,708 2,714 2,715 3,716 2,720 3,722 11,733 1,741 28,743 11,745 17,747 30,748 12,749 8,756 3,757 6,767 4,770 4,772 8,773 4,790 1,793 13,794 3,795 2,796 3,802 3,808 0.333,822 2,829 3,833 2,859 1,868 15,869 1,876 4,901 7.167,902 4.983,903 3.278,904 1.844,907 2.411,908 1.378,909 1.047,910 1.928,911 8.783,912 3.157,913 3.818,914 4.494,915 5.135,916 5.749,917 6.056,918 6.403,919 6.723,920 7.009,921 6.654,922 0.75,923 25,924 5.54,925 -0.001,926 2.385,927 0.026,929 7.522,931 10.915,933 9.359,936 2.022,937 30.333,938 0.007,941 129.482,942 51.125,943 66.468,948 51.125,949 129.482,950 66.468,952 10.138,953 42.373,954 57.113,955 31.511,957 105.94,959 129.482,960 117.594,964 129.482,968 33.134,969 50.889,970 33.571,972 129.482,973 66.468,974 51.125,977 129.482,978 23.554,979 27.571,981 66.468,982 129.482,983 66.468,984 51.125,986 0.58,987 0.358,988 0.208,989 0.115,990 14,991 5,994 2,995 1.286,996 2.744,997 106.595,998 0.286,999 14,1000 58.603,1005 8.81,1006 3.283,1007 1.314,1008 1.973,1009 66.468,1010 5.517,1011 8.719,1015 3.358,1017 32.897,1018 247.076,1019 22.5,1031 27.723,1032 31.571,1034 0.288,1035 0.712,1036 0.837,1037 0.896,1038 0.926,1039 0.926,1040 4.379,1042 5.273,1043 1.804,1044 3.892,1045 4.5,1047 6.12,1048 3.842,1049 5.595,1050 -0.445,1051 6.849,1053 3.434,1054 4.407,1056 7.091,1057 3.374,1058 6.922,1059 -0.84,1060 8.534,1061 -1.091,1062 5.501,1063 6.825,1065 10.251,1066 5.413,1067 8.294,1068 -0.879,1069 10.285,1070 -1.977,1071 5.916,1072 7.603,1074 12.062,1075 5.818,1076 9.703,1077 -1.205,1078 12.078,1079 -2.123,1080 7.434,1081 9.484,1083 14.733,1084 7.312,1085 11.138,1086 -1.528,1087 13.897,1088 -3.218,1089 8.26,1090 10.659,1092 16.874,1093 8.124,1094 12.594,1095 -1.802,1096 15.736,1097 -4.317,1098 9.554,1099 12.324,1101 19.377,1102 9.396,1103 3.203,1104 -2,1105 17.588,1106 -5.194,1107 10.567,1108 13.684,1110 21.66,1111 10.392,1112 2.532,1113 11.036,1114 19.45,1115 -5.661,1116 11.774,1117 15.259,1119 24.1,1120 11.579,1121 2.087,1122 8.37,1123 21.32,1124 4.554,1125 12.87,1126 16.705,1128 26.445,1129 12.656,1130 1.518,1131 6.329,1132 23.196,1133 3.433,1134 14.045,1135 18.243,1137 28.861,1138 13.81,1139 1.347,1140 3.329,1141 25.077,1142 2.852,1143 15.178,1144 19.727,1146 31.236,1147 14.923,1148 1.247,1149 3.225,1150 26.963,1151 2.139,1152 16.343,1153 21.251,1155 33.642,1156 16.068,1157 0.764,1158 2.902,1159 28.852,1160 1.61,1161 17.491,1162 22.752,1164 36.03,1165 17.197,1166 1532,1167 2325,1168 11.731,1169 18.824,1170 25.424,1171 25.621,1172 26.284,1173 25.424,1174 25.399,1175 33.915,1177 73.989,1178 24.721,1179 5.57,1180 5.333,1181 6.454,1182 5.23,1183 5.203,1184 7.554,1186 18.567,1187 5.141,1188 3.991,1189 1.496,1190 1.507,1191 1.546,1192 1.496,1193 1.494,1194 1.995,1196 4.352,1197 1.454,1198 4.095,1199 4.129,1200 4.059,1201 4.008,1202 5.163,1203 4.017,1204 3.715,1205 3.769,1206 3.603,1207 3.608,1208 4.859,1209 3.599,1210 3.267,1211 3.349,1212 3.148,1213 3.087,1214 4.474,1215 3.092,1216 3.139,1217 3.217,1218 3.015,1219 2.969,1220 3.995,1221 2.967,1222 2.92,1223 3.019,1224 2.713,1225 2.744,1226 3.758,1227 2.728,1228 2.709,1229 2.818,1230 2.506,1231 2.492,1232 3.441,1233 2.487,1234 2.552,1235 2.642,1236 2.41,1237 2.249,1238 3.268,1239 2.276,1240 2.042,1241 2.187,1242 1.779,1243 1.718,1244 2.943,1245 1.705,1246 0.272,1247 0.196,1248 0.398,1249 0.246,1250 0.188,1251 4.625,1252 0.268,1253 3.333,1255 6.769,1256 0.649,1257 4.184,1258 0.185,1259 3.203,1260 4.554,1262 11.036,1263 3.141,1264 2.048,1265 2.019,1266 2.137,1267 2.155,1268 1.423,1269 2.15,1270 1.719,1271 1.67,1272 1.904,1273 1.862,1274 1.073,1275 1.882,1276 1.228,1277 1.16,1278 1.473,1279 1.471,1280 0.749,1281 1.47,1282 1.131,1283 1.057,1284 1.401,1285 1.344,1286 0.522,1287 1.374,1288 0.917,1289 0.839,1290 1.191,1291 1.178,1292 0.191,1293 1.196,1294 0.696,1295 0.597,1296 1.071,1297 0.982,1298 0.073,1299 1.018,1300 0.499,1301 0.385,1302 0.83,1303 0.786,1305 0.811,1306 0.058,1308 0.674,1309 0.452,1311 0.537,1312 3.555,1314 4.875,1316 6.435,1318 8.104,1320 9.827,1326 6.172,1328 4.595,1340 17.698,1341 38.726,1342 95.851,1343 112.606,1344 120.606,1345 124.606,1346 124.606,1347 15.579,1348 6.372,1349 51.8,1350 51.8,1351 18,1352 12.092,1353 3.585,1354 2.7,1355 19.787,1356 34,1357 20,1358 0.336,1359 109.444,1360 177.08,1361 258.804,1362 4073,1364 10.251,1365 0.683,1366 0.569,1367 10.251,1368 8.532,1369 7.36,1370 0.433,1371 0.316,1372 5.328,1373 7.191,1374 5.223,1375 4.311,1376 7.36,1377 5.37,1378 6.512,1379 0.271,1380 0.169,1381 6.512,1382 4.051,1383 5.892,1384 0.173,1385 0.091,1386 5.892,1387 3.109,1388 5.149,1389 0.112,1390 0.05,1391 5.149,1392 2.314,1393 4.302,1394 0.072,1395 0.028,1396 4.302,1397 1.696,1398 0.482,1399 45.358,1400 0.292,1401 14.609,1402 1.061,1403 82,1404 190.602,1405 86.468,1406 192.801,1407 275.01,1408 182,1409 99,1410 212.775,1411 104.024,1412 218.2,1413 321.44,1414 207,1415 5.585}
{0 CHEMBL130458,1 1.455,2 10.308,3 4.413,4 19.476,5 103.215,6 6.892,7 0.414,8 4.025,9 4.151,10 3.539,11 3.548,12 5.046,13 3.518,14 4.601,15 4.794,16 3.963,17 3.987,18 5.593,19 3.942,20 4.849,21 5.031,22 4.048,23 4.193,24 5.78,25 4.113,26 5.066,27 5.321,28 3.944,29 4.22,30 5.944,31 4.096,32 5.003,33 5.255,34 3.772,35 4.072,36 5.955,37 3.925,38 4.883,39 5.18,40 3.526,41 3.782,42 5.766,43 3.649,44 4.36,45 4.565,46 3.476,47 3.574,48 5.405,49 3.503,50 4.362,51 4.562,52 3.41,53 3.576,54 5.478,55 3.498,56 0.032,57 0.747,58 11.558,59 4.727,60 8.704,61 6.551,62 0.396,63 1.247,64 22.182,65 7.844,66 33.043,67 11.306,68 0.172,69 1.565,70 27.978,71 10.619,72 25.635,73 14.996,74 0.347,75 1.784,76 36.721,77 12.268,78 41.935,79 18.164,80 0.315,81 1.535,82 34.751,83 12.518,84 53.037,85 17.729,86 0.552,87 1.199,88 32.969,89 10.302,90 63.198,91 14.518,92 0.265,93 0.852,94 18.047,95 6.378,96 27.654,97 8.68,98 0.336,99 0.876,100 18.216,101 5.899,102 39.973,103 8.127,104 26,105 44,106 0.245,107 0.577,108 0.782,109 0.867,110 0.88,111 0.88,112 3.305,113 0.933,114 -4.53,115 -4.46,116 -4.2,121 41.2,122 2,123 1,125 1,126 2,127 1,130 1,144 7,145 2,146 3,161 1,176 10,179 2,180 7,183 2,185 2,187 11,192 8,197 3,200 9,206 9,211 3,214 4,218 1,219 11,224 2,227 2,231 1,232 3,237 1,239 4,243 1,244 2,247 1,249 2,251 10,255 1,259 1,264 10,269 2,277 9,281 916,282 17.187,283 17.187,284 17.187,285 17.187,286 17.187,287 15.567,288 25.391,289 9.728,290 17.546,291 14.261,292 14.261,293 14.261,294 14.261,295 14.261,296 11.799,297 35.698,298 4.577,299 14.84,300 4.217,301 2.251,302 1.033,303 0.53,304 0.451,305 0.451,306 3.995,311 1,312 1,313 588,314 3.464,317 99.71,318 140.056,320 80.476,321 85.259,324 119.323,325 1.515,326 18.263,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 55.5,338 268,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 4.19,349 3.679,350 6.211,351 3.814,352 2.842,353 3.788,354 0.966,355 8.84,356 2.765,357 3.969,358 2.913,359 6.169,360 3.622,361 2.662,362 3.314,363 0.693,364 8.696,365 2.552,366 3.654,367 2.81,368 6.054,369 3.383,370 2.445,371 2.869,372 0.366,373 8.453,374 2.281,375 3.465,376 2.742,377 5.435,378 3.272,379 2.337,380 2.592,382 7.121,383 2.17,384 3.295,385 2.501,386 4.856,387 2.937,388 1.969,389 2.423,391 5.405,392 1.889,393 2.875,394 1.747,395 4.698,396 2.441,397 1.493,398 2.039,400 4.387,401 1.414,402 2.806,403 1.669,404 4.216,405 2.414,406 1.414,407 1.915,409 3.552,410 1.411,411 2.615,412 1.472,413 4.081,414 2.347,415 1.361,416 1.629,418 3.06,419 1.334,420 2.517,421 1.171,422 3.722,423 2.127,424 1.133,425 1.521,427 2.958,428 1.126,429 1.785,430 0.933,431 3.595,432 1.695,433 0.73,434 0.761,436 1.822,437 0.702,438 1.415,439 0.744,440 3.088,441 1.129,442 0.181,443 0.212,445 0.445,446 0.169,447 1.228,448 0.483,449 2.987,450 0.856,451 -0.107,452 -0.131,454 -0.264,455 -0.102,456 0.787,457 -0.008,458 2.621,459 0.64,460 -0.301,461 -0.311,463 -0.744,464 -0.282,465 0.762,466 -0.046,467 2.427,468 0.41,469 -0.579,470 -0.701,472 -1.387,473 -0.562,474 12.367,475 0.476,476 0.86,477 0.033,478 32.25,479 1.24,480 15,481 0.577,482 17.25,483 0.663,484 23.669,485 0.91,486 28.433,487 0.558,488 23.546,489 0.906,490 6.204,491 0.239,492 6.194,493 0.238,494 0.189,495 0.04,496 0.348,501 0.812,502 1.438,503 0.842,504 1.17,505 0.638,506 1.03,507 0.706,508 0.871,509 0.783,510 0.771,511 0.396,512 0.769,513 1.006,514 1.396,515 1.082,516 1.256,517 0.725,518 1.192,519 1.04,520 0.997,521 1.089,522 1.027,523 0.694,524 1.04,525 1.07,526 1.159,527 1.071,528 1.245,529 1.23,530 1.178,531 1.757,532 0.569,533 0.85,534 0.576,535 1.736,536 0.613,537 1.497,538 1.002,539 1.004,540 0.982,541 1.542,542 0.956,543 1.862,544 0.922,545 1.301,546 0.944,547 2.644,548 1.041,549 6.5,550 0.183,551 4.222,552 3.646,553 1.668,554 0.764,555 0.612,556 0.3,557 0.286,558 0.246,559 8004,560 17242,561 2.069,562 49,563 6,564 15,565 1,567 1,569 2,572 1.689,573 1.891,574 3.291,575 -0.37,577 1,582 74.204,583 1.455,584 3.422,585 4.64,586 5.143,587 5.221,588 5.221,589 2.68,590 4.47,591 4.675,592 3.472,593 1128.55,594 8.088,595 13902.9,597 1,599 1,600 289.294,601 1.693,602 4.603,603 0.224,604 0.009,605 0.096,606 0.079,607 0.043,608 0.025,609 0.024,610 0.012,611 0.012,612 0.012,613 0.537,614 0.5,615 1,616 0.638,617 126.54,618 -0.003,619 -0.221,620 0.075,621 -0.08,622 -0.053,623 -0.007,624 0.288,625 0.283,626 0.187,627 0.23,628 0.248,629 0.205,630 -0.083,631 -0.293,632 -0.136,633 -0.221,634 -0.023,635 -0.194,636 -0.109,637 0.031,638 -0.109,639 -0.075,640 0.046,641 -0.079,642 0.037,643 -0.238,644 -0.081,645 -0.262,646 0.016,647 -0.196,648 -0.093,649 0.231,650 0.228,651 0.341,652 -0.11,653 0.323,654 0.005,655 -0.014,656 0.018,657 0.012,658 -0.035,659 0.007,660 -0.211,661 0.132,662 -0.262,663 0.013,664 -0.325,665 -0.116,666 2.129,667 5.306,668 0.692,669 21.189,670 0.994,671 1.127,672 3.302,673 10.901,674 0.653,675 3.401,676 3.807,677 4.143,678 4.477,679 4.673,680 4.727,681 4.905,682 4.977,683 4.984,684 5.056,685 6.137,686 0.614,687 351.49,688 3.401,689 4.99,690 5.883,691 6.815,692 7.73,693 8.669,694 9.597,695 10.542,696 11.479,697 12.428,698 5.9,701 1,704 1,705 1,715 7,720 5,722 12,736 1,737 1,741 51,743 13,744 2,745 29,747 54,748 21,749 12,750 5,751 7,756 4,757 7,763 2,764 1,766 1,767 1,770 1,772 13,773 8,777 1,782 1,786 1,790 1,793 25,794 5,795 1,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 4,868 26,876 2,877 1,878 1,880 1,881 2,882 1,893 3.9,896 1,898 1,901 13.75,902 10.4,903 5.514,904 3.024,907 2.186,908 1.286,909 0.967,910 4.204,911 9.832,912 3.611,913 4.205,914 4.736,915 5.284,916 5.764,917 5.905,918 6.237,919 6.504,920 6.633,921 6.831,922 0.857,923 46,924 9.639,926 4.146,927 0.026,929 7.599,931 18.778,933 15.981,936 2.099,937 54.583,939 1,940 1,941 282.506,942 129.308,943 24.259,945 36.145,948 129.308,949 318.651,950 24.259,951 34.443,952 22.651,953 66.334,954 25.145,955 34.377,956 18.534,957 270.735,959 282.506,960 153.567,961 36.145,964 258.964,965 59.687,968 43.426,969 110.141,972 282.506,973 60.404,974 129.308,977 282.506,978 28.531,979 107.026,980 18.011,981 36.145,982 282.506,983 60.404,984 129.308,986 0.603,987 0.367,988 0.205,989 0.107,990 24,991 11,992 0.056,993 3,994 2,995 1.222,996 3.705,997 230.381,998 0.222,999 18,1000 120.211,1005 17.379,1006 6.289,1007 2.812,1009 60.404,1010 13.624,1015 4.832,1017 18.011,1018 472.218,1019 36,1024 12.306,1028 -0.462,1031 50.68,1032 57.481,1034 0.256,1035 0.603,1036 0.818,1037 0.907,1038 0.92,1039 0.92,1040 4.913,1041 1.414,1042 5.938,1043 4.387,1044 4.489,1045 4.89,1046 2.466,1047 6.884,1048 4.414,1049 6.141,1050 1.361,1051 7.59,1052 3.552,1053 4.369,1054 4.808,1055 1.905,1056 8.26,1057 4.268,1058 7.484,1059 1.133,1060 9.361,1061 3.06,1062 6.248,1063 7.028,1064 3.531,1065 11.429,1066 6.112,1067 8.863,1068 0.73,1069 11.207,1070 2.958,1071 6.957,1072 7.703,1073 3.612,1074 13.709,1075 6.808,1076 10.279,1077 0.181,1078 13.107,1079 1.822,1080 8.401,1081 9.476,1082 4.913,1083 16.532,1084 8.227,1085 11.721,1086 -0.107,1087 15.046,1088 0.445,1089 9.469,1090 10.504,1091 5.293,1092 19.127,1093 9.285,1094 13.186,1095 -0.301,1096 17.016,1097 -0.264,1098 10.792,1099 12.094,1100 6.388,1101 21.876,1102 10.589,1103 3.737,1104 -0.579,1105 19.011,1106 -0.744,1107 12.007,1108 13.302,1109 6.931,1110 24.565,1111 11.791,1112 2.842,1113 15.306,1114 21.025,1115 -1.387,1116 13.308,1117 14.805,1118 7.902,1119 27.298,1120 13.073,1121 2.662,1122 8.84,1123 23.053,1124 4.206,1125 14.581,1126 16.108,1127 8.539,1128 30.015,1129 14.33,1130 2.445,1131 8.696,1132 25.094,1133 3.788,1134 15.884,1135 17.57,1136 9.436,1137 32.744,1138 15.613,1139 2.337,1140 8.453,1141 27.143,1142 3.314,1143 17.182,1144 18.925,1145 10.13,1146 35.469,1147 16.892,1148 1.969,1149 7.121,1150 29.2,1151 2.869,1152 18.49,1153 20.366,1154 10.981,1155 38.197,1156 18.18,1157 1.493,1158 5.405,1159 31.262,1160 2.592,1161 19.798,1162 21.752,1163 11.71,1164 40.925,1165 19.468,1166 7610,1167 11308,1168 18.898,1169 33.302,1170 45.042,1171 45.892,1172 47.433,1173 44.617,1174 44.606,1175 54.536,1176 8.422,1177 140.088,1178 42.94,1179 5.797,1180 5.973,1181 7.693,1182 5.805,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 14.249,1189 1.553,1190 1.582,1191 1.636,1192 1.539,1193 1.538,1194 1.881,1195 0.29,1196 4.831,1197 1.481,1198 4.093,1199 4.131,1200 4.04,1201 3.996,1202 7.435,1203 4.002,1204 3.926,1205 3.96,1206 3.864,1207 3.855,1208 4.843,1209 3.852,1210 3.699,1211 3.742,1212 3.616,1213 3.563,1214 4.746,1215 3.566,1216 3.398,1217 3.439,1218 3.337,1219 3.114,1220 4.445,1221 3.158,1222 3.272,1223 3.362,1224 3.101,1225 3.048,1226 4.143,1227 3.043,1228 3.227,1229 3.31,1230 3.036,1231 3.028,1232 3.938,1233 3.014,1234 3.169,1235 3.256,1236 2.962,1237 2.984,1238 3.898,1239 2.986,1240 2.976,1241 3.093,1242 2.709,1243 2.761,1244 3.876,1245 2.727,1246 0.167,1247 0.137,1248 0.276,1249 0.163,1250 0.129,1251 4.832,1252 0.145,1253 3.973,1254 0.075,1255 8.006,1256 0.528,1257 4.714,1258 0.126,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.919,1265 1.894,1266 2.036,1267 2.022,1268 1.31,1269 2.025,1270 1.897,1271 1.873,1272 2.002,1273 1.979,1274 1.135,1275 1.988,1276 1.633,1277 1.577,1278 1.832,1279 1.836,1280 1.057,1281 1.837,1282 1.534,1283 1.453,1284 1.787,1285 1.754,1286 1.012,1287 1.774,1288 1.255,1289 1.205,1290 1.58,1291 1.565,1292 0.644,1293 1.546,1294 1.209,1295 1.128,1296 1.553,1297 1.444,1298 0.604,1299 1.47,1300 1.147,1301 1.077,1302 1.453,1303 1.418,1304 0.563,1305 1.434,1306 1.014,1307 0.899,1308 1.312,1309 1.291,1310 0.347,1311 1.353,1312 4.078,1314 5.46,1315 3.045,1316 7.038,1317 5.638,1318 8.712,1319 7.921,1320 10.443,1322 8.576,1328 2.175,1329 2.818,1330 5.572,1332 0.355,1333 4.727,1334 0.06,1340 31.289,1341 74.204,1342 174.504,1343 236.623,1344 262.274,1345 266.274,1346 266.274,1347 38.752,1348 7.645,1349 44.81,1350 44.81,1351 22,1352 12.92,1353 3.807,1354 3,1355 38.2,1356 97,1357 90,1358 0.196,1359 190.52,1360 332.72,1361 456.628,1362 21498,1364 18.474,1365 0.711,1366 0.606,1367 18.474,1368 15.744,1369 12.398,1370 0.428,1371 0.311,1372 8.897,1373 11.945,1374 8.514,1375 7.113,1376 12.398,1377 9.021,1378 11.955,1379 0.272,1380 0.174,1381 11.955,1382 7.641,1383 10.344,1384 0.167,1385 0.095,1386 10.344,1387 5.894,1388 9.161,1389 0.105,1390 0.053,1391 9.161,1392 4.574,1393 7.141,1394 0.067,1395 0.028,1396 7.141,1397 3.006,1398 0.307,1399 77.47,1400 0.23,1401 24.921,1402 0.541,1403 146,1404 367.094,1405 159.359,1406 356.156,1407 497.69,1408 334,1409 179,1410 380.092,1411 192.808,1412 387.871,1413 572.96,1414 362,1415 7.398}
{0 CHEMBL130478,1 2.088,2 9.565,3 4.605,4 21.208,5 79.206,6 9.621,7 0.458,8 3.722,9 3.824,10 3.523,11 3.176,12 5.002,13 3.2,14 4.267,15 4.426,16 3.984,17 3.473,18 6.134,19 3.507,20 4.218,21 4.346,22 3.87,23 3.563,24 5.595,25 3.565,26 4.447,27 4.648,28 3.918,29 3.526,30 5.88,31 3.57,32 4.34,33 4.53,34 3.831,35 3.542,36 5.783,37 3.532,38 4.264,39 4.433,40 3.568,41 3.479,42 5.621,43 3.395,44 4.037,45 4.189,46 3.362,47 3.314,48 5.309,49 3.243,50 4.278,51 4.555,52 3.375,53 3.2,54 5.657,55 3.113,56 0.272,57 0.752,58 4.372,59 3.349,60 32.258,61 3.188,62 1.248,63 1.283,64 17.756,65 4.972,66 152.5,67 5.37,68 0.518,69 1.016,70 9.258,71 5.229,72 49.35,73 5.561,74 0.926,75 1.158,76 18.675,77 4.999,78 99.139,79 5.351,80 0.826,81 1.246,82 14.233,83 5.68,84 94.808,85 4.986,86 0.798,87 0.978,88 22.382,89 6.701,90 104.289,91 5.544,92 0.449,93 0.767,94 9.875,95 5.105,96 46.558,97 5.438,98 0.859,99 0.765,100 20.345,101 5.509,102 93.153,103 8.041,104 63,105 35,106 0.384,107 0.688,108 0.751,109 0.771,110 0.771,111 0.771,112 3.188,113 0.94,114 -4.33,115 -4.26,116 -4.02,121 36.1,126 3,135 1,144 4,145 1,146 1,151 1,161 1,164 1,168 1,176 4,179 5,180 6,187 4,191 2,192 8,200 2,205 2,206 9,214 1,219 4,227 2,231 2,232 4,239 2,243 1,244 4,256 1,268 2,281 719,282 14.541,283 14.541,284 14.541,285 14.541,286 14.541,287 13.219,288 13.542,289 8.255,290 15.515,291 11.755,292 11.755,293 11.755,294 11.755,295 11.755,296 9.565,297 12.832,298 3.824,299 13.298,300 3.082,301 1.425,302 1.084,303 0.973,304 0.973,305 0.973,306 3.838,311 1,312 1,313 441,314 4.062,317 71.597,318 81.542,325 1.671,326 40.072,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 54.5,338 220,339 4.498,340 4.437,341 6.63,342 4.078,343 3.157,344 4.184,345 4.032,346 10.56,347 2.932,348 4.205,349 4.378,350 6.455,351 3.898,352 3.128,353 3.665,354 2.95,355 10.195,356 2.663,357 4.028,358 3.698,359 6.091,360 3.688,361 2.731,362 3.213,363 1.678,364 8.783,365 2.386,366 3.671,367 2.909,368 5.472,369 3.277,370 2.36,371 2.922,372 0.527,373 6.768,374 2.108,375 3.425,376 2.655,377 5.2,378 3.047,379 2.141,380 2.64,381 0.394,382 6.41,383 1.911,384 2.744,385 2.423,386 4.333,387 2.291,388 1.415,389 1.835,391 3.831,392 1.223,393 2.598,394 1.996,395 4.275,396 2.225,397 1.292,398 1.617,400 3.631,401 1.194,402 2.5,403 1.682,404 3.414,405 2,406 1,407 1.5,409 2.275,410 1,411 2.066,412 1.269,413 3.16,414 1.529,415 0.502,416 0.723,418 1.203,419 0.506,420 1.497,421 1,422 3.114,423 1.112,424 0.327,425 0.372,427 0.492,428 0.252,429 1.25,430 0.558,431 2.673,432 0.887,433 0.005,434 0.006,436 0.014,437 0.005,438 0.5,439 0.51,440 2.474,441 0.147,442 -0.769,443 -0.933,445 -2,446 -0.694,447 0.491,448 0.51,449 2,451 -1,452 -1,454 -2.202,455 -0.7,456 0.351,457 0.244,458 2,459 -0.092,460 -1,461 -1,463 -2.439,464 -0.7,465 0.073,466 -0.361,467 2,468 -0.1,469 -1,470 -1,472 -3,473 -0.833,474 10.457,475 0.455,476 0.877,477 0.038,478 28,479 1.217,480 12.5,481 0.543,482 15.5,483 0.674,484 17.744,485 0.771,486 26.743,487 0.743,488 23.021,489 1.001,490 5.73,491 0.249,492 4.979,493 0.216,494 0.257,495 0.048,496 0.316,500 3,501 0.648,502 1.143,503 0.627,504 1.111,505 0.619,506 1.004,507 0.271,508 0.54,509 0.82,510 0.857,511 0.271,512 0.683,513 0.6,514 0.982,515 0.701,516 1.145,517 0.494,518 1.142,519 0.995,520 0.835,521 0.8,522 0.69,523 0.888,524 0.704,525 1.212,526 1.123,527 1.1,528 0.886,529 1.102,530 0.987,531 1.176,532 0.959,533 2.088,534 1.543,535 1.152,536 1.353,537 0.602,538 0.969,539 1.13,540 1.46,541 0.627,542 1.595,543 0.382,544 0.48,545 0.534,546 0.787,547 0.486,548 0.95,549 7,550 0.149,551 2.889,552 1.819,553 1.642,554 0.98,555 0.471,556 0.393,557 0.228,558 0.245,559 5007,560 23682,561 1.888,562 36.1,564 13,572 1.656,573 1.693,574 3.227,575 -0.558,582 75.151,583 2.088,584 3.745,585 4.086,586 4.197,587 4.197,588 4.197,589 2.703,590 4.056,591 4.491,592 3.432,593 868.294,594 7.729,595 9978.36,597 1,600 186.117,601 1.771,602 4.392,603 0.292,604 0.014,605 0.083,606 0.055,607 0.05,608 0.034,609 0.021,610 0.021,611 0.013,612 0.019,613 0.601,614 0.33,615 1,616 1.409,617 108.068,618 -0.051,619 -0.199,620 0.047,621 -0.115,622 -0.111,623 -0.087,624 0.654,625 0.46,626 0.186,627 0.179,628 0.561,629 0.231,630 -0.012,631 -0.199,632 0.026,633 -0.194,634 0.016,635 -0.192,636 -0.21,637 -0.122,638 0.067,639 0.124,640 -0.094,641 0.2,642 -0.318,643 -0.066,644 -0.191,645 0.08,646 -0.184,647 -0.068,648 -0.3,649 0.049,650 -0.736,651 -0.191,652 -0.231,653 -0.336,654 -0.001,655 -0.199,656 -0.301,657 -0.445,658 -0.048,659 -0.561,660 0.36,661 0.152,662 0.419,663 0.024,664 0.212,665 0.181,666 5.995,667 5.008,668 0.478,669 21.316,670 1.055,671 1.162,672 3.099,673 9.606,674 0.666,675 3.219,676 3.584,677 3.738,678 3.97,679 4.127,680 4.205,681 4.277,682 4.317,683 4.29,684 4.344,685 5.922,686 0.667,687 346.37,688 3.219,689 4.779,690 5.602,691 6.497,692 7.345,693 8.241,694 9.101,695 9.996,696 10.863,697 11.757,698 11.1,705 1,706 1,708 2,715 4,716 2,720 4,721 1,722 11,739 1,741 36,743 12,744 1,745 24,747 37,748 13,749 8,750 2,751 4,752 1,756 2,757 2,761 1,772 9,773 4,777 1,782 1,786 1,790 1,791 3,793 13,794 8,796 10,797 1,802 4,808 1,809 2,828 1,829 1,859 2,860 1,862 1,864 3,866 3,868 23,878 1,879 1,881 1,882 1,890 1,892 3,893 5.6,896 1,898 1,901 13.583,902 7.562,903 4.986,904 1.799,907 2.116,908 1.322,909 0.931,910 5.222,911 8.69,912 3.45,913 4.039,914 4.555,915 5.109,916 5.552,917 5.88,918 6.219,919 6.547,920 6.843,921 7.044,922 1,923 33,924 9.011,926 4.183,927 0.026,929 8.54,931 14.998,933 11.412,936 3.04,937 69.917,941 153.024,942 119.651,943 38.349,945 36.145,946 44.88,947 32.22,948 87.431,949 189.169,950 83.23,951 23.983,952 3.124,953 37.905,954 58.593,955 69.107,956 4.276,957 185.244,958 9.817,959 153.024,960 125.781,961 81.025,962 32.22,964 155.352,965 36.145,966 44.88,967 9.817,968 5.594,969 74.593,970 33.449,971 32.22,972 197.905,973 74.494,974 119.651,977 162.842,978 47.945,979 66.789,981 114.474,982 153.024,983 119.375,984 119.651,986 0.596,987 0.318,988 0.162,989 0.089,990 16,991 9,992 0.081,993 3,995 1,996 3.345,997 174.577,999 11,1000 93.287,1001 1,1005 17.637,1006 6.81,1007 4.395,1009 117.598,1010 5.113,1011 8.318,1015 0.757,1016 1.139,1018 392.05,1019 30.5,1024 12.008,1028 -0.37,1031 37.978,1032 41.842,1034 0.404,1035 0.724,1036 0.79,1037 0.812,1038 0.812,1039 0.812,1040 4.716,1041 1,1042 5.666,1043 3.631,1044 4.263,1045 4.723,1046 3.839,1047 6.518,1048 4.053,1049 5.961,1050 0.502,1051 7.268,1052 2.275,1053 4.205,1054 4.705,1055 4.088,1056 7.695,1057 3.79,1058 7.296,1059 0.327,1060 8.97,1061 1.203,1062 5.969,1063 6.9,1064 6.091,1065 10.635,1066 5.54,1067 8.661,1068 0.005,1069 10.726,1070 0.492,1071 6.621,1072 7.61,1073 6.962,1074 12.51,1075 5.994,1076 10.053,1077 -0.769,1078 12.514,1079 0.014,1080 7.969,1081 9.361,1082 8.644,1083 15.053,1084 7.314,1085 11.462,1086 -1,1087 14.322,1088 -2,1089 8.899,1090 10.405,1091 9.759,1092 17.193,1093 8.076,1094 12.884,1095 -1,1096 16.144,1097 -2.202,1098 10.107,1099 11.973,1100 11.308,1101 19.604,1102 9.232,1103 3.157,1104 -1,1105 17.976,1106 -2.439,1107 11.152,1108 13.19,1109 12.549,1110 21.855,1111 10.139,1112 3.128,1113 10.56,1114 19.815,1115 -3,1116 12.31,1117 14.674,1118 14.028,1119 24.219,1120 11.23,1121 2.731,1122 10.195,1123 21.661,1124 4.184,1125 13.406,1126 15.984,1127 15.337,1128 26.518,1129 12.21,1130 2.36,1131 8.783,1132 23.512,1133 3.665,1134 14.549,1135 17.43,1136 16.778,1137 28.864,1138 13.275,1139 2.141,1140 6.768,1141 25.366,1142 3.213,1143 15.668,1144 18.791,1145 18.126,1146 31.185,1147 14.292,1148 1.415,1149 6.41,1150 27.224,1151 2.922,1152 16.806,1153 20.221,1154 19.545,1155 33.527,1156 15.35,1157 1.292,1158 3.831,1159 29.085,1160 2.64,1161 17.936,1162 21.61,1163 20.915,1164 35.858,1165 16.387,1166 5238,1167 11592,1168 14.622,1169 23.96,1170 37.049,1171 39.432,1172 37.956,1173 36.374,1174 36.117,1175 45.353,1176 19.162,1177 108.325,1178 32.359,1179 5.282,1180 6.437,1181 6.154,1182 5.137,1183 5.157,1184 7.184,1185 6.982,1186 17.563,1187 4.932,1188 16.129,1189 1.544,1190 1.643,1191 1.582,1192 1.516,1193 1.505,1194 1.89,1195 0.798,1196 4.514,1197 1.348,1198 4.007,1199 4.05,1200 4.08,1201 3.883,1202 8.516,1203 3.892,1204 3.792,1205 3.83,1206 3.819,1207 3.605,1208 7.999,1209 3.618,1210 3.519,1211 3.595,1212 3.531,1213 3.281,1214 7.999,1215 3.282,1216 3.388,1217 3.422,1218 3.465,1219 3.085,1220 7.429,1221 3.078,1222 3.157,1223 3.241,1224 3.253,1225 2.903,1226 5.022,1227 2.939,1228 2.91,1229 3.009,1230 2.82,1231 2.735,1232 4.73,1233 2.715,1234 2.874,1235 2.938,1236 2.687,1237 2.653,1238 4.207,1239 2.694,1240 2.854,1241 2.925,1242 2.557,1243 2.618,1244 4.072,1245 2.57,1246 0.187,1247 0.185,1248 0.276,1249 0.17,1250 0.132,1251 4.498,1252 0.174,1253 4.437,1254 0.168,1255 6.63,1256 0.44,1257 4.078,1258 0.122,1259 3.157,1260 4.184,1261 4.032,1262 10.56,1263 2.932,1264 1.892,1265 1.871,1266 1.987,1267 1.99,1268 1.079,1269 1.986,1270 1.591,1271 1.529,1272 1.798,1273 1.889,1274 0.855,1275 1.857,1276 1.353,1277 1.299,1278 1.539,1279 1.568,1280 0.707,1281 1.589,1282 1.205,1283 1.166,1284 1.417,1285 1.558,1286 0.469,1287 1.455,1288 1.057,1289 0.976,1290 1.28,1291 1.395,1292 0.3,1293 1.377,1294 0.934,1295 0.891,1296 1.219,1297 1.275,1298 0.271,1299 1.308,1300 0.934,1301 0.821,1302 1.181,1303 1.239,1304 0.218,1305 1.227,1306 0.886,1307 0.804,1308 0.933,1309 1.062,1311 1.107,1312 3.892,1314 5.242,1315 2.398,1316 6.756,1317 4.727,1318 8.34,1319 6.843,1320 9.964,1322 4.904,1324 36.409,1330 3.801,1331 1.236,1333 1.346,1334 -4.745,1340 24.013,1341 75.151,1342 134.833,1343 147.098,1344 151.098,1345 151.098,1346 151.098,1347 56.21,1348 6.574,1349 60.25,1350 85.55,1351 11,1352 12.288,1353 3.7,1354 2.907,1355 45.398,1356 81,1357 71,1358 0.283,1359 153.015,1360 269.4,1361 365.116,1362 5005,1363 8.3,1364 17.198,1365 0.748,1366 0.577,1367 15.052,1368 13.273,1369 10.709,1370 0.446,1371 0.313,1372 6.201,1373 9.442,1374 5.892,1375 4.94,1376 10.12,1377 7.524,1378 10.712,1379 0.306,1380 0.153,1381 8.822,1382 5.356,1383 7.496,1384 0.183,1385 0.08,1386 7.67,1387 3.299,1388 5.924,1389 0.114,1390 0.041,1391 5.76,1392 2.142,1393 4.538,1394 0.074,1395 0.024,1396 4.548,1397 1.435,1398 0.441,1399 75.515,1400 0.262,1401 22.562,1402 0.779,1403 118,1404 625.245,1405 172.199,1406 531.845,1407 683.86,1408 490,1409 135,1410 466.423,1411 175.595,1412 460.286,1413 693.71,1414 423,1415 6.097}
{0 CHEMBL1306,1 1.676,2 15.028,3 4.95,4 24.502,5 142.901,6 7.948,7 0.425,8 4.315,9 4.429,10 3.945,11 3.813,12 5.33,13 3.797,14 4.91,15 5.085,16 4.356,17 4.216,18 5.902,19 4.191,20 5.164,21 5.362,22 4.398,23 4.399,24 6.086,25 4.32,26 5.253,27 5.458,28 4.512,29 4.463,30 6.197,31 4.354,32 5.327,33 5.583,34 4.355,35 4.444,36 6.16,37 4.318,38 5.244,39 5.504,40 4.36,41 4.342,42 6.143,43 4.232,44 5.019,45 5.231,46 4.26,47 4.194,48 6.024,49 4.103,50 4.853,51 5.057,52 4.038,53 4.086,54 5.826,55 3.974,56 0.071,57 0.979,58 13.387,59 6.123,60 11.236,61 7.983,62 0.527,63 1.572,64 29.648,65 9.963,66 36.681,67 13.166,68 0.882,69 1.833,70 44.012,71 13.854,72 53.716,73 18.111,74 0.891,75 1.955,76 52.797,77 16.781,78 70.826,79 22.099,80 0.759,81 2.057,82 54.79,83 17.587,84 61.473,85 24.593,86 0.904,87 1.867,88 54.05,89 15.229,90 69.871,91 21.288,92 0.776,93 1.484,94 43.883,95 12.183,96 62.998,97 16.088,98 0.616,99 1.298,100 34.751,101 10.95,102 46.715,103 14.458,104 18,105 57,106 0.265,107 0.564,108 0.752,109 0.839,110 0.839,111 0.839,112 3.615,113 0.974,114 -5.52,115 -5.4,116 -5.04,121 38.8,122 2,127 7,129 2,133 1,144 7,145 1,146 4,150 1,162 1,168 1,176 4,179 3,180 8,187 10,191 4,192 7,200 5,205 3,206 8,214 3,218 3,219 12,231 1,232 13,243 1,244 9,251 6,255 3,256 3,264 8,268 1,269 6,277 8,281 2544,282 24.316,283 24.316,284 24.316,285 24.316,286 24.316,287 22.206,288 33.36,289 14.168,290 25.176,291 19.719,292 19.719,293 19.719,294 19.719,295 19.719,296 16.657,297 43.674,298 6.706,299 21.228,300 4.39,301 2.506,302 1.319,303 0.769,304 0.769,305 0.769,306 4.319,308 2,313 1185,314 3.674,317 229.942,318 409.291,325 2.25,326 33.185,329 0.5,330 0.83,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.84,337 78.167,338 541,339 4.673,340 4.131,341 7.723,342 4.546,343 3.565,344 4.082,345 1.877,346 14.392,347 3.496,348 4.147,349 3.185,350 6.162,351 3.853,352 2.913,353 3.692,354 0.86,355 9.107,356 2.74,357 3.99,358 3.114,359 5.889,360 3.614,361 2.677,362 3.507,363 0.8,364 8.075,365 2.506,366 3.827,367 2.959,368 5.868,369 3.556,370 2.643,371 3.206,372 0.8,373 7.988,374 2.376,375 3.774,376 2.845,377 5.407,378 3.419,379 2.495,380 2.961,381 0.532,382 7.125,383 2.298,384 3.608,385 2.68,386 5.319,387 3.323,388 2.399,389 2.698,391 6.859,392 2.202,393 3.377,394 2.607,395 5.172,396 3.124,397 2.195,398 2.557,400 6.365,401 2.01,402 3.118,403 2.411,404 4.886,405 2.741,406 1.878,407 2.196,409 5.351,410 1.566,411 2.801,412 1.824,413 4.414,414 2.588,415 1.629,416 1.843,418 4.325,419 1.518,420 2.725,421 1.64,422 4.174,423 2.255,424 1.307,425 1.807,427 3.389,428 1.192,429 2.552,430 1.461,431 3.745,432 2.088,433 1.171,434 1.571,436 2.761,437 1.071,438 2.5,439 1.362,440 3.729,441 2.058,442 1.119,443 1.5,445 2.598,446 1.045,447 2.174,448 1.25,449 3.603,450 2,451 1,452 1.166,454 2.275,455 1,456 2.118,457 1.146,458 3.414,459 1.967,460 1,461 1,463 2.275,464 0.965,465 2,466 1.117,467 3.414,468 1.701,469 0.818,470 0.927,472 1.974,473 0.713,474 17.429,475 0.484,476 0.929,477 0.026,478 41.75,479 1.16,480 17,481 0.472,482 24.75,483 0.688,484 38.015,485 1.056,486 40.171,487 0.6,488 32.329,489 0.898,490 8.114,491 0.225,492 9.302,493 0.258,494 0.139,495 0.029,496 0.27,501 0.787,502 1.544,503 0.608,504 1.146,505 0.732,506 1.012,507 1.21,508 1.093,509 0.721,510 0.845,511 0.843,512 0.839,513 1.323,514 0.872,515 0.995,516 0.889,517 1.099,518 0.963,519 0.856,520 1.145,521 0.832,522 1.149,523 0.776,524 1.128,525 0.761,526 1.018,527 0.735,528 0.964,529 0.745,530 0.939,531 0.906,532 0.882,533 0.801,534 0.852,535 0.826,536 0.828,537 1.284,538 0.961,539 1.135,540 1.03,541 1.268,542 0.999,543 1.125,544 0.999,545 1.115,546 1.073,547 1.193,548 1.101,549 8.5,550 0.162,551 4.667,552 2.604,553 1.623,554 1.549,555 0.763,556 0.534,557 0.398,558 0.254,559 22012,560 57577,561 2.113,562 46.3,564 23,566 2,569 6,572 1.771,573 1.991,574 3.798,575 -0.717,582 112.272,583 1.676,584 3.56,585 4.747,586 5.297,587 5.297,588 5.297,589 3.256,590 4.725,591 5.139,592 4.043,593 2546.83,594 9.014,595 42292.7,600 406.428,601 1.463,602 5.103,603 0.213,604 0.005,605 0.082,606 0.047,607 0.03,608 0.029,609 0.015,610 0.012,611 0.011,612 0.007,613 0.45,614 0.17,615 0.63,616 0.639,617 199.517,618 0.012,619 -0.286,620 0.045,621 -0.145,622 -0.03,623 -0.049,624 -0.058,625 0.056,626 0.043,627 0.08,628 0.069,629 0.073,630 -0.114,631 0.173,632 -0.097,633 0.071,634 -0.098,635 -0.021,636 0.171,637 -0.167,638 0.068,639 -0.144,640 0.188,641 -0.132,642 0.104,643 -0.086,644 0.108,645 0.003,646 0.089,647 0.062,648 0.079,649 0.059,650 0.144,651 0.102,652 0.14,653 0.151,654 -0.053,655 0.018,656 -0.043,657 -0.036,658 -0.036,659 -0.032,660 -0.028,661 -0.006,662 -0.115,663 -0.062,664 -0.1,665 -0.115,666 2.37,667 2.923,668 0.778,669 45.815,670 1.008,671 1.132,672 4.293,673 18.43,674 0.668,675 3.714,676 4.06,677 4.331,678 4.595,679 4.779,680 4.92,681 5.024,682 5.069,683 5.153,684 5.204,685 8.759,686 0.631,687 532.52,688 3.714,689 5.273,690 6.129,691 7.018,692 7.892,693 8.79,694 9.672,695 10.574,696 11.462,697 12.368,698 7.5,701 1,704 1,706 1,708 2,715 9,716 2,720 5,721 1,722 17,736 1,739 1,740 2,741 67,743 17,744 2,745 40,747 71,748 26,749 14,750 5,751 7,756 5,757 5,758 2,763 2,767 2,770 3,772 14,773 12,793 31,794 7,796 10,797 2,802 5,808 1,809 3,828 2,829 3,855 1,858 2,859 5,864 2,865 2,868 36,876 7,878 3,880 2,881 2,882 1,890 1,892 2,893 4.5,897 2,898 1,901 18.083,902 12.452,903 7.792,904 4.092,907 2.143,908 1.261,909 0.962,910 8.054,911 10.349,912 3.902,913 4.446,914 4.934,915 5.42,916 5.792,917 5.975,918 6.206,919 6.444,920 6.7,921 6.892,922 0.9,923 56,924 13.352,926 5.705,927 0.026,929 7.596,931 25.859,933 21.527,936 2.096,937 75.472,941 364.904,942 139.122,943 41.474,944 78.297,945 33,948 139.122,949 476.201,950 41.474,951 17.65,952 19.713,953 66.334,954 87.609,955 45.831,957 341.362,958 78.297,959 364.904,960 180.595,961 33,962 78.297,964 294.278,965 81.626,966 22,968 59.502,969 87.645,970 111.746,972 364.904,973 74.473,974 217.419,977 364.904,978 37.9,979 109.247,981 144.745,982 364.904,983 74.473,984 217.419,986 0.588,987 0.341,988 0.18,989 0.093,990 28,991 12,992 0.113,993 8,995 1,996 4.714,997 344.904,999 28,1000 176.117,1005 25.766,1006 11.253,1007 6.009,1009 72.697,1010 16.633,1011 8.243,1015 3.71,1016 1.661,1018 656.796,1019 48.5,1031 67.509,1032 75.821,1034 0.276,1035 0.587,1036 0.783,1037 0.873,1038 0.873,1039 0.873,1040 5.172,1041 1.878,1042 6.138,1043 6.365,1044 4.745,1045 5.133,1046 2.414,1047 6.987,1048 4.606,1049 6.357,1050 1.629,1051 7.724,1052 5.351,1053 4.443,1054 4.868,1055 1.566,1056 8.207,1057 4.246,1058 7.661,1059 1.307,1060 9.425,1061 4.325,1062 6.409,1063 7.202,1064 3.012,1065 11.293,1066 6.177,1067 8.998,1068 1.171,1069 11.201,1070 3.389,1071 6.957,1072 7.744,1073 2.926,1074 13.471,1075 6.706,1076 10.371,1077 1.119,1078 13.034,1079 2.761,1080 8.413,1081 9.562,1082 3.998,1083 16.206,1084 8.136,1085 11.768,1086 1,1087 14.911,1088 2.598,1089 9.345,1090 10.479,1091 4.281,1092 18.726,1093 9.067,1094 13.185,1095 1,1096 16.822,1097 2.275,1098 10.634,1099 12.078,1100 5.143,1101 21.399,1102 10.342,1103 3.565,1104 0.818,1105 18.761,1106 2.275,1107 11.743,1108 13.194,1109 5.598,1110 24.023,1111 11.453,1112 2.913,1113 14.392,1114 20.724,1115 1.974,1116 12.988,1117 14.687,1118 6.351,1119 26.688,1120 12.69,1121 2.677,1122 9.107,1123 22.704,1124 4.082,1125 14.178,1126 15.914,1127 6.889,1128 29.342,1129 13.879,1130 2.643,1131 8.075,1132 24.698,1133 3.692,1134 15.42,1135 17.354,1136 7.585,1137 32.008,1138 15.113,1139 2.495,1140 7.988,1141 26.704,1142 3.507,1143 16.649,1144 18.647,1145 8.166,1146 34.67,1147 16.335,1148 2.399,1149 7.125,1150 28.719,1151 3.206,1152 17.898,1153 20.061,1154 8.832,1155 37.336,1156 17.573,1157 2.195,1158 6.859,1159 30.74,1160 2.961,1161 19.145,1162 21.393,1163 9.435,1164 40.002,1165 18.81,1166 20571,1167 33777,1168 26.929,1169 44.767,1170 60.612,1171 61.14,1172 62.202,1173 60.214,1174 59.975,1175 72.312,1176 9.737,1177 175.288,1178 55.486,1179 5.673,1180 6.131,1181 7.333,1182 5.636,1183 5.565,1184 7.082,1185 3.269,1186 22.353,1187 5.496,1188 17.066,1189 1.515,1190 1.529,1191 1.555,1192 1.505,1193 1.499,1194 1.808,1195 0.243,1196 4.382,1197 1.387,1198 4.026,1199 4.061,1200 4.115,1201 3.917,1202 5.104,1203 3.919,1204 3.947,1205 3.992,1206 3.904,1207 3.847,1208 5.021,1209 3.85,1210 3.824,1211 3.88,1212 3.838,1213 3.617,1214 4.871,1215 3.631,1216 3.784,1217 3.835,1218 3.682,1219 3.592,1220 4.761,1221 3.621,1222 3.662,1223 3.692,1224 3.636,1225 3.445,1226 4.612,1227 3.473,1228 3.476,1229 3.553,1230 3.547,1231 3.306,1232 4.421,1233 3.292,1234 3.218,1235 3.262,1236 3.308,1237 3.058,1238 4.264,1239 3.058,1240 3.111,1241 3.206,1242 3.155,1243 2.941,1244 4.05,1245 2.91,1246 0.117,1247 0.103,1248 0.193,1249 0.114,1250 0.089,1251 4.673,1252 0.102,1253 4.131,1254 0.047,1255 7.723,1256 0.36,1257 4.546,1258 0.087,1259 3.565,1260 4.082,1261 1.877,1262 14.392,1263 3.496,1264 1.915,1265 1.889,1266 2.053,1267 2.07,1268 1.335,1269 2.069,1270 1.9,1271 1.881,1272 1.954,1273 1.986,1274 1.174,1275 1.985,1276 1.754,1277 1.691,1278 1.947,1279 1.929,1280 1.117,1281 1.936,1282 1.538,1283 1.492,1284 1.791,1285 1.776,1286 1.069,1287 1.767,1288 1.518,1289 1.458,1290 1.744,1291 1.756,1292 0.966,1293 1.751,1294 1.475,1295 1.402,1296 1.673,1297 1.676,1298 0.874,1299 1.707,1300 1.215,1301 1.139,1302 1.513,1303 1.495,1304 0.825,1305 1.465,1306 1.153,1307 1.064,1308 1.417,1309 1.376,1310 0.469,1311 1.429,1312 4.394,1314 5.733,1315 3.045,1316 7.258,1317 5.283,1318 8.868,1319 7.286,1320 10.527,1322 4.507,1323 12.653,1328 5.234,1330 18.713,1332 0.305,1333 4.933,1334 -1.12,1340 42.282,1341 112.272,1342 238.53,1343 318.047,1344 354.918,1345 354.918,1346 354.918,1347 61.867,1348 8.206,1349 64.88,1350 64.88,1351 28,1352 12.89,1353 4.17,1354 3.248,1355 54.772,1356 190,1357 202,1358 0.138,1359 262.411,1360 454.53,1361 632.043,1362 46265,1363 3,1364 25.123,1365 0.698,1366 0.612,1367 26.123,1368 22.029,1369 17.415,1370 0.435,1371 0.325,1372 12.079,1373 16.011,1374 11.723,1375 9.606,1376 17.993,1377 12.989,1378 16.105,1379 0.283,1380 0.18,1381 16.884,1382 10.286,1383 13.434,1384 0.179,1385 0.097,1386 14.015,1387 7.268,1388 11.258,1389 0.115,1390 0.054,1391 12.047,1392 5.274,1393 8.395,1394 0.071,1395 0.028,1396 8.783,1397 3.342,1398 0.223,1399 116.084,1400 0.193,1401 33.468,1402 0.361,1403 194,1404 565.839,1405 248.012,1406 590.577,1407 794.65,1408 556,1409 229,1410 545.855,1411 275.635,1412 562.025,1413 830.46,1414 529,1415 4.666}
{0 CHEMBL130628,1 2.041,2 9.346,3 5.074,4 25.749,5 94.028,6 9.64,7 0.393,8 3.867,9 3.973,10 3.674,11 3.415,12 5.032,13 3.4,14 4.457,15 4.617,16 4.151,17 3.796,18 6.092,19 3.765,20 4.659,21 4.868,22 4.181,23 3.878,24 5.868,25 3.811,26 4.586,27 4.807,28 3.993,29 3.71,30 5.802,31 3.688,32 4.48,33 4.68,34 4.057,35 3.699,36 5.865,37 3.684,38 4.462,39 4.603,40 4.145,41 3.773,42 5.96,43 3.745,44 4.443,45 4.58,46 4.026,47 3.761,48 6.109,49 3.701,50 4.542,51 4.737,52 3.964,53 3.76,54 5.831,55 3.695,56 0.216,57 0.862,58 5.17,59 4.055,60 32.528,61 4.198,62 0.986,63 1.657,64 17.321,65 7.081,66 147.922,67 7.679,68 0.882,69 1.448,70 29.925,71 9.572,72 109.845,73 10.221,74 0.821,75 1.144,76 25.034,77 6.809,78 94.885,79 8.144,80 0.874,81 1.269,82 17.773,83 5.724,84 85.832,85 6.318,86 0.759,87 1.457,88 21.353,89 7.32,90 86.345,91 6.166,92 0.937,93 1.298,94 20.132,95 7.803,96 136.617,97 7.464,98 0.653,99 1.52,100 23.119,101 9.225,102 83.966,103 9.805,104 29,105 40,106 0.361,107 0.656,108 0.758,109 0.798,110 0.798,111 0.798,112 3.305,113 1.009,114 -6.08,115 -5.92,116 -5.51,121 38.1,123 3,127 3,134 1,144 4,145 1,146 1,151 1,161 1,164 1,168 1,176 6,179 5,180 6,187 7,191 2,192 7,200 4,205 2,206 12,214 2,219 8,227 2,232 9,239 4,244 6,251 3,264 6,269 2,277 6,281 1094,282 16.947,283 16.947,284 16.947,285 16.947,286 16.947,287 15.572,288 15.208,289 9.906,290 17.786,291 13.821,292 13.821,293 13.821,294 13.821,295 13.821,296 11.633,297 13.464,298 4.749,299 15.361,300 3.351,301 1.679,302 1.102,303 0.875,304 0.875,305 0.875,306 3.979,308 1,311 1,312 1,313 509,314 3.742,317 77.134,318 181.441,325 1.423,326 47.242,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 59.833,338 243,339 4.506,340 4.57,341 6.669,342 4.097,343 3.181,344 4.185,345 3.02,346 10.723,347 2.944,348 4.11,349 4.144,350 6.393,351 3.881,352 3.08,353 3.637,354 2.95,355 9.949,356 2.672,357 4.084,358 3.719,359 6.127,360 3.745,361 2.783,362 3.101,363 1.678,364 8.958,365 2.411,366 3.756,367 2.988,368 5.678,369 3.379,370 2.47,371 3.073,372 0.527,373 7.512,374 2.232,375 3.486,376 2.811,377 5.03,378 3.083,379 2.195,380 2.719,382 6.03,383 1.896,384 2.952,385 2.528,386 4.641,387 2.715,388 1.764,389 1.985,391 4.652,392 1.65,393 2.743,394 2.371,395 4.255,396 2.254,397 1.368,398 1.835,400 3.789,401 1.184,402 2.5,403 1.716,404 3.781,405 2.172,406 1.231,407 1.5,409 3.014,410 1.136,411 2.423,412 1.411,413 3.414,414 2,415 1,416 1.402,418 2.275,419 1,420 2.05,421 1.275,422 3.324,423 1.984,424 1,425 1,427 2.136,428 0.983,429 2,430 1.077,431 3.289,432 1.583,433 0.575,434 0.78,436 1.449,437 0.564,438 1.69,439 1,440 3.247,441 1.33,442 0.526,443 0.604,445 1.338,446 0.417,447 1.117,448 0.51,449 2.569,450 0.637,451 -0.204,452 -0.255,454 -0.454,455 -0.138,456 0.509,457 0.51,458 2.507,459 0.265,460 -0.727,461 -0.765,463 -1.606,464 -0.621,465 0.5,466 0.397,467 2.173,468 0.104,469 -0.785,470 -0.908,472 -2.317,473 -0.7,474 12.338,475 0.475,476 0.84,477 0.032,478 29.25,479 1.125,480 12,481 0.462,482 17.25,483 0.663,484 24.318,485 0.935,486 29.662,487 0.706,488 22.858,489 0.879,490 5.457,491 0.21,492 6.875,493 0.264,494 0.154,495 0.041,496 0.267,498 3,501 0.561,502 1.069,503 0.574,504 0.961,505 0.55,506 0.927,507 0.394,508 0.809,509 0.751,510 1.018,511 0.354,512 0.972,513 0.777,514 0.939,515 0.856,516 1.038,517 0.751,518 0.965,519 0.763,520 0.738,521 0.765,522 0.777,523 0.685,524 0.799,525 0.772,526 0.563,527 0.684,528 0.569,529 0.809,530 0.662,531 1.052,532 1.05,533 1.307,534 1.313,535 1.032,536 1.04,537 0.665,538 0.926,539 1.224,540 1.363,541 0.704,542 1.249,543 0.875,544 1.269,545 0.718,546 1.171,547 0.899,548 1.201,549 6.5,550 0.173,551 3.111,552 1.632,553 1.553,554 1.101,555 0.772,556 0.546,557 0.358,558 0.211,559 7213,560 28940,561 2.005,562 38.1,563 2,564 10,569 4,572 1.698,573 1.846,574 3.166,575 -0.608,582 85.722,583 2.041,584 3.713,585 4.291,586 4.517,587 4.517,588 4.517,589 2.643,590 4.085,591 4.668,592 3.365,593 1093.7,594 8.131,595 13750.3,597 1,600 226.477,601 1.648,602 4.606,603 0.232,604 0.013,605 0.078,606 0.044,607 0.044,608 0.03,609 0.02,610 0.016,611 0.012,612 0.008,613 0.498,614 0.33,615 0.88,616 1.181,617 125.968,618 -0.015,619 -0.115,620 0.031,621 -0.033,622 -0.046,623 -0.028,624 0.404,625 0.202,626 0.068,627 -0.033,628 0.404,629 -0.052,630 -0.013,631 -0.109,632 0.127,633 -0.035,634 -0.029,635 0.052,636 -0.083,637 -0.114,638 0.08,639 0.042,640 -0.041,641 0.137,642 0.029,643 0.265,644 0.08,645 0.28,646 -0.029,647 0.196,648 -0.124,649 -0.001,650 -0.256,651 -0.132,652 -0.072,653 -0.154,654 0.242,655 0.1,656 -0.255,657 -0.219,658 0.266,659 -0.311,660 -0.018,661 -0.312,662 0.081,663 -0.217,664 -0.01,665 -0.172,666 5.615,667 5.715,668 0.654,669 23.769,670 1.041,671 1.153,672 4.845,673 23.478,674 0.688,675 3.367,676 3.714,677 3.892,678 4.127,679 4.369,680 4.466,681 4.585,682 4.691,683 4.754,684 4.71,685 5.875,686 0.671,687 404.88,688 3.367,689 4.92,690 5.746,691 6.629,692 7.482,693 8.369,694 9.236,695 10.127,696 11.002,697 11.895,698 9.5,705 1,706 1,708 2,715 4,716 2,720 4,721 1,722 11,740 1,741 42,743 12,744 1,745 28,747 44,748 16,749 8,750 2,751 4,752 1,756 3,757 3,758 1,761 1,763 1,767 3,769 1,770 3,772 9,773 7,777 1,782 1,786 1,791 3,793 16,794 7,796 10,797 2,802 4,808 1,809 1,828 1,829 2,859 3,860 1,862 1,865 1,866 3,868 26,876 6,879 1,881 1,882 1,890 1,892 4,893 2.4,896 1,901 14.083,902 7.538,903 5.569,904 2.593,907 1.978,908 1.283,909 0.971,910 6.033,911 8.976,912 3.57,913 4.123,914 4.616,915 5.147,916 5.607,917 5.935,918 6.263,919 6.604,920 6.935,921 7.044,922 1,923 37,924 10.073,926 4.748,927 0.026,929 8.328,931 17.734,933 14.534,936 2.828,937 73.528,940 1,941 188.338,942 104.582,943 38.349,944 39.149,945 25.145,946 44.88,947 32.22,948 72.362,949 252.631,950 83.23,952 15.839,953 37.905,954 58.593,955 56.364,956 4.276,957 220.557,958 46.908,959 188.338,960 110.712,961 70.025,962 71.368,964 143.581,965 117.11,968 26.068,969 48.867,970 72.597,971 32.22,972 233.218,973 63.494,974 143.73,977 196.097,978 58.917,979 42.806,981 142.622,982 188.338,983 108.375,984 143.73,986 0.591,987 0.311,988 0.158,989 0.094,990 19,991 9,992 0.068,993 3,995 1,996 3.696,997 216.001,999 17,1000 109.457,1001 1,1005 19.374,1006 8.097,1007 5.085,1009 106.598,1010 6.58,1011 8.322,1015 1.22,1016 0.978,1018 440.443,1019 34.5,1024 12.715,1028 -0.443,1031 43.742,1032 48.407,1034 0.379,1035 0.689,1036 0.796,1037 0.838,1038 0.838,1039 0.838,1040 4.834,1041 1.231,1042 5.778,1043 3.789,1044 4.394,1045 4.808,1046 3.616,1047 6.603,1048 4.198,1049 6.045,1050 1,1051 7.354,1052 3.014,1053 4.205,1054 4.705,1055 3.192,1056 7.724,1057 3.775,1058 7.362,1059 1,1060 9.036,1061 2.275,1062 6.061,1063 6.934,1064 5.547,1065 10.679,1066 5.656,1067 8.712,1068 0.575,1069 10.778,1070 2.136,1071 6.635,1072 7.609,1073 5.508,1074 12.544,1075 6.009,1076 10.092,1077 0.526,1078 12.557,1079 1.449,1080 8.031,1081 9.369,1082 7.663,1083 15.088,1084 7.407,1085 11.491,1086 -0.204,1087 14.359,1088 1.338,1089 8.916,1090 10.398,1091 7.736,1092 17.224,1093 8.111,1094 12.906,1095 -0.727,1096 16.178,1097 -0.454,1098 10.145,1099 11.968,1100 9.826,1101 19.638,1102 9.309,1103 3.181,1104 -0.785,1105 18.007,1106 -1.606,1107 11.166,1108 13.179,1109 9.948,1110 21.886,1111 10.188,1112 3.08,1113 10.723,1114 19.846,1115 -2.317,1116 12.332,1117 14.664,1118 12.003,1119 24.254,1120 11.3,1121 2.783,1122 9.949,1123 21.691,1124 4.185,1125 13.415,1126 15.971,1127 12.158,1128 26.554,1129 12.266,1130 2.47,1131 8.958,1132 23.541,1133 3.637,1134 14.558,1135 17.419,1136 14.184,1137 28.906,1138 13.342,1139 2.195,1140 7.512,1141 25.396,1142 3.101,1143 15.669,1144 18.779,1145 14.369,1146 31.231,1147 14.354,1148 1.764,1149 6.03,1150 27.254,1151 3.073,1152 16.806,1153 20.211,1154 16.366,1155 33.58,1156 15.418,1157 1.368,1158 4.652,1159 29.116,1160 2.719,1161 17.931,1162 21.6,1163 16.579,1164 35.918,1165 16.454,1166 7156,1167 14571,1168 18.087,1169 28.887,1170 43.031,1171 45.513,1172 43.126,1173 42.763,1174 42.347,1175 51.642,1176 16.35,1177 123.646,1178 38.178,1179 5.506,1180 6.57,1181 6.471,1182 5.241,1183 5.181,1184 7.185,1185 5.97,1186 17.915,1187 4.944,1188 14.575,1189 1.537,1190 1.625,1191 1.54,1192 1.527,1193 1.512,1194 1.844,1195 0.584,1196 4.416,1197 1.364,1198 4.015,1199 4.062,1200 4.112,1201 3.898,1202 8.513,1203 3.9,1204 3.846,1205 3.896,1206 3.953,1207 3.703,1208 7.999,1209 3.704,1210 3.717,1211 3.765,1212 3.721,1213 3.582,1214 7.999,1215 3.563,1216 3.541,1217 3.591,1218 3.593,1219 3.277,1220 7.429,1221 3.298,1222 3.185,1223 3.234,1224 3.313,1225 2.96,1226 5.041,1227 2.987,1228 3.111,1229 3.206,1230 3.165,1231 2.941,1232 4.87,1233 2.91,1234 2.862,1235 2.925,1236 2.933,1237 2.749,1238 4.272,1239 2.735,1240 2.854,1241 2.899,1242 2.866,1243 2.735,1244 4.236,1245 2.715,1246 0.161,1247 0.163,1248 0.238,1249 0.146,1250 0.114,1251 4.506,1252 0.149,1253 4.57,1254 0.108,1255 6.669,1256 0.383,1257 4.097,1258 0.105,1259 3.181,1260 4.185,1261 3.02,1262 10.723,1263 2.944,1264 1.893,1265 1.872,1266 2.043,1267 2.025,1268 1.394,1269 2.029,1270 1.822,1271 1.759,1272 1.975,1273 1.962,1274 1.078,1275 1.974,1276 1.499,1277 1.469,1278 1.541,1279 1.735,1280 0.875,1281 1.705,1282 1.312,1283 1.26,1284 1.513,1285 1.64,1286 0.825,1287 1.575,1288 1.159,1289 1.121,1290 1.439,1291 1.376,1292 0.635,1293 1.429,1294 1.153,1295 1.064,1296 1.198,1297 1.355,1298 0.307,1299 1.317,1300 0.94,1301 0.855,1302 1.181,1303 1.234,1304 0.259,1305 1.24,1306 0.886,1307 0.821,1308 1.173,1309 1.062,1310 0.218,1311 1.107,1312 4.043,1314 5.38,1315 2.398,1316 6.889,1317 4.727,1318 8.468,1319 6.843,1320 10.087,1323 5.852,1324 37.844,1328 2.771,1331 0.456,1333 1.599,1334 -4.365,1340 28.179,1341 85.722,1342 155.948,1343 180.213,1344 189.722,1345 189.722,1346 189.722,1347 63.347,1348 6.998,1349 51.02,1350 76.32,1351 17,1352 12.426,1353 3.7,1354 2.907,1355 43.939,1356 88,1357 98,1358 0.24,1359 178.735,1360 315.36,1361 427.874,1362 8738,1363 9.5,1364 18.734,1365 0.721,1366 0.586,1367 17.087,1368 15.242,1369 12.332,1370 0.44,1371 0.336,1372 7.999,1373 10.943,1374 7.799,1375 6.367,1376 11.929,1377 9.415,1378 12.032,1379 0.301,1380 0.181,1381 10.786,1382 7.25,1383 8.847,1384 0.184,1385 0.106,1386 9.094,1387 5.099,1388 6.948,1389 0.114,1390 0.056,1391 7.481,1392 3.414,1393 5.762,1394 0.074,1395 0.032,1396 6.156,1397 2.477,1398 0.367,1399 86.467,1400 0.235,1401 24.846,1402 0.691,1403 136,1404 625.713,1405 203.693,1406 567.464,1407 725.62,1408 524,1409 156,1410 471.061,1411 212.963,1412 472.713,1413 712.85,1414 443,1415 6.523}
{0 CHEMBL130645,1 1.915,2 9.091,3 2.837,4 8.051,5 85.511,6 9.158,7 0.458,8 3.741,9 3.844,10 3.533,11 3.296,12 4.855,13 3.266,14 4.285,15 4.445,16 3.893,17 3.643,18 5.398,19 3.603,20 4.422,21 4.601,22 3.935,23 3.727,24 5.568,25 3.664,26 4.438,27 4.641,28 3.859,29 3.609,30 5.65,31 3.574,32 4.342,33 4.55,34 3.795,35 3.59,36 5.525,37 3.524,38 4.23,39 4.379,40 3.81,41 3.638,42 5.428,43 3.522,44 4.199,45 4.346,46 3.611,47 3.57,48 5.31,49 3.433,50 4.255,51 4.505,52 3.381,53 3.454,54 5.125,55 3.268,56 0.097,57 0.583,58 5.686,59 3.364,60 5.993,61 3.796,62 0.432,63 0.925,64 17.643,65 5.748,66 20.592,67 6.458,68 0.462,69 0.985,70 19.664,71 6.642,72 33.024,73 7.845,74 0.537,75 0.996,76 21.223,77 5.83,78 50.092,79 6.691,80 0.557,81 0.935,82 17.365,83 5.47,84 48.308,85 6.112,86 0.42,87 0.882,88 20.221,89 6.362,90 33.796,91 5.998,92 0.316,93 0.791,94 19.086,95 6.792,96 22.904,97 6.987,98 0.282,99 0.704,100 20.789,101 7.038,102 27.407,103 9.052,104 11,105 33,106 0.348,107 0.661,108 0.765,109 0.785,110 0.785,111 0.785,112 3.147,113 1.054,114 -4.46,115 -4.39,116 -4.13,121 37.8,126 1,127 4,144 4,145 1,146 1,151 1,161 1,164 1,168 1,176 4,179 5,180 4,187 6,191 3,192 6,200 4,205 2,206 8,214 2,218 2,219 4,227 2,231 1,232 6,239 2,243 1,244 6,256 1,264 1,269 4,281 634,282 15.008,283 15.008,284 15.008,285 15.008,286 15.008,287 13.633,288 13.893,289 8.875,290 15.84,291 11.771,292 11.771,293 11.771,294 11.771,295 11.771,296 9.56,297 13.168,298 4.139,299 12.989,300 3.295,301 1.569,302 0.993,303 0.885,304 0.885,305 0.885,306 3.826,308 1,310 1,311 1,312 1,313 427,314 2.646,317 61.432,318 148.406,325 1.38,326 23.86,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 48.333,338 200,339 4.503,340 4.378,341 6.665,342 4.091,343 3.162,344 4.184,345 2.95,346 10.699,347 2.942,348 4.098,349 3.725,350 6.127,351 3.744,352 2.783,353 3.636,354 1.678,355 8.958,356 2.669,357 3.758,358 2.985,359 5.675,360 3.377,361 2.473,362 3.075,363 0.86,364 7.478,365 2.217,366 3.489,367 2.791,368 5.03,369 3.079,370 2.195,371 2.725,372 0.527,373 6.027,374 1.879,375 2.951,376 2.571,377 4.622,378 2.658,379 1.761,380 1.985,382 4.551,383 1.555,384 2.741,385 2.434,386 4.246,387 2.235,388 1.356,389 1.833,391 3.725,392 1.159,393 2.5,394 1.939,395 3.773,396 2.113,397 1.231,398 1.5,400 3.001,401 1.072,402 2.421,403 1.692,404 3.414,405 2,406 1,407 1.401,409 2.275,410 1,411 2.05,412 1.274,413 3.291,414 1.952,415 1,416 1,418 2.136,419 0.946,420 2,421 1.256,422 3.247,423 1.562,424 0.561,425 0.779,427 1.442,428 0.549,429 1.495,430 1,431 2.713,432 1.103,433 0.324,434 0.369,436 0.477,437 0.248,438 1.112,439 0.393,440 2.529,441 0.629,442 -0.211,443 -0.265,445 -0.463,446 -0.143,447 0.5,448 0.212,449 2.184,450 0.227,451 -0.746,452 -0.791,454 -1.606,455 -0.707,456 0.454,457 -0.174,458 2,460 -1,461 -1,463 -2.347,464 -0.822,465 0.264,466 -0.36,467 1.721,468 -0.101,469 -1,470 -1.213,472 -2.421,473 -0.846,474 10.814,475 0.492,476 0.486,477 0.022,478 27,479 1.227,480 12,481 0.545,482 15,483 0.682,484 17.873,485 0.812,486 23.986,487 0.648,488 18.179,489 0.826,490 5.181,491 0.236,492 5.504,493 0.25,494 0.143,496 0.305,501 0.711,502 1.411,503 0.597,504 0.971,505 0.563,506 0.919,507 0.94,508 1.091,509 0.879,510 0.982,511 0.647,512 0.839,513 1.023,514 1.128,515 0.854,516 0.886,517 0.888,518 0.921,519 1.316,520 1.101,521 0.869,522 0.845,523 1.713,524 0.868,525 1.206,526 0.844,527 0.752,528 0.579,529 1.501,530 0.7,531 1.166,532 1.089,533 1.486,534 1.403,535 1.283,536 1.144,537 0.893,538 1.28,539 1.406,540 1.679,541 1.064,542 1.461,543 0.569,544 0.922,545 0.556,546 0.888,547 0.762,548 1.112,549 4,550 0.049,551 2.667,552 1.507,553 1.313,554 0.792,555 0.401,556 0.296,557 0.135,558 0.063,559 4761,560 16188,561 2.07,562 40.5,564 15,572 1.648,573 1.941,574 3.182,575 -0.627,576 1,577 1,579 1,582 70.843,583 1.915,584 3.64,585 4.216,586 4.324,587 4.324,588 4.324,589 2.681,590 3.88,591 4.428,592 3.28,593 757.6,594 7.623,595 8202.66,596 1,597 1,598 1,599 1,600 192.75,601 1.395,602 4.392,603 0.167,604 0.008,605 0.081,606 0.046,607 0.044,608 0.028,609 0.015,610 0.014,611 0.009,612 0.006,613 0.418,614 0.33,615 1,616 0.797,617 100.354,618 -0.004,619 -0.241,620 0.046,621 -0.074,622 -0.028,623 -0.05,624 0.05,625 0.024,626 -0.018,627 -0.007,628 0.037,629 0.056,630 -0.025,631 -0.12,632 0.01,633 0.008,634 0.045,635 -0.001,636 -0.192,637 -0.058,638 -0.035,639 -0.008,640 -0.162,641 -0.001,642 -0.137,643 0.242,644 0.033,645 0.305,646 -0.134,647 0.173,648 -0.192,649 0.131,650 -0.323,651 -0.143,652 -0.124,653 -0.212,654 -0.038,655 -0.193,656 -0.347,657 -0.472,658 -0.096,659 -0.468,660 0.106,661 -0.113,662 0.215,663 0.005,664 0.004,665 -0.036,666 1.833,667 5.575,668 0.773,669 17.074,670 1.021,671 1.129,672 3.226,673 10.41,674 0.703,675 3.219,676 3.526,677 3.807,678 4.043,679 4.248,680 4.29,681 4.331,682 4.394,683 4.466,684 4.344,685 5.327,686 0.667,687 338.85,688 3.219,689 4.745,690 5.595,691 6.466,692 7.338,693 8.217,694 9.097,695 9.982,696 10.866,697 11.754,698 10.8,705 1,706 1,708 2,715 4,716 2,720 4,721 1,722 11,740 1,741 37,743 12,744 1,745 24,747 39,748 14,749 8,750 2,751 4,752 1,756 3,757 3,758 1,761 1,772 9,773 5,777 1,782 1,786 1,789 1,790 1,793 15,794 5,796 8,797 2,802 4,808 1,809 2,828 1,829 2,858 1,859 3,860 1,862 1,864 1,865 1,868 22,876 4,878 1,879 1,881 1,890 1,892 1,893 5.4,896 1,897 1,901 11.333,902 7.026,903 4.944,904 2.11,907 2.034,908 1.302,909 0.967,910 4.908,911 8.757,912 3.45,913 4.003,914 4.576,915 5.112,916 5.551,917 5.848,918 6.134,919 6.461,920 6.796,921 6.831,922 1,923 33,924 8.126,926 3.415,927 0.026,929 7.808,931 15.388,933 12.314,936 2.308,937 50.778,941 176.567,942 104.694,943 38.349,944 39.149,945 36.145,947 32.22,948 72.475,949 251.86,950 38.349,951 7.19,952 16.52,953 37.905,954 69.593,955 11.484,956 4.276,957 208.786,958 39.149,959 176.567,960 110.824,961 36.145,962 71.368,964 178.894,965 25.145,966 11,968 18.99,969 56.057,970 72.597,971 32.22,972 176.567,973 74.494,974 143.843,977 176.567,978 59.599,979 49.996,981 108.742,982 176.567,983 74.494,984 143.843,986 0.575,987 0.344,988 0.184,989 0.104,990 16,991 7,992 0.051,993 2,995 1,996 3.413,997 171.776,999 17,1000 90.107,1001 1,1005 15.654,1006 6.898,1007 3.421,1009 72.718,1010 7.233,1011 8.803,1015 2.565,1016 1.361,1018 394.903,1019 30.5,1024 12.575,1028 -0.166,1031 37.764,1032 41.767,1034 0.368,1035 0.699,1036 0.809,1037 0.83,1038 0.83,1039 0.83,1040 4.68,1041 1,1042 5.572,1043 3.001,1044 4.205,1045 4.687,1046 3.219,1047 6.378,1048 4.034,1049 5.864,1050 1,1051 7.13,1052 2.275,1053 3.761,1054 4.46,1055 1.305,1056 7.281,1057 3.488,1058 7.162,1059 0.561,1060 8.79,1061 2.136,1062 5.79,1063 6.829,1064 5.101,1065 10.387,1066 5.482,1067 8.499,1068 0.324,1069 10.512,1070 1.442,1071 6.196,1072 7.465,1073 2.419,1074 12.131,1075 5.805,1076 9.872,1077 -0.211,1078 12.272,1079 0.477,1080 7.676,1081 9.287,1082 7.205,1083 14.749,1084 7.246,1085 11.269,1086 -0.746,1087 14.059,1088 -0.463,1089 8.465,1090 10.312,1091 3.517,1092 16.833,1093 7.961,1094 12.684,1095 -1,1096 15.866,1097 -1.606,1098 9.728,1099 11.91,1100 9.354,1101 19.285,1102 9.177,1103 3.162,1104 -1,1105 17.687,1106 -2.347,1107 10.698,1108 13.126,1109 4.595,1110 21.516,1111 10.074,1112 2.783,1113 10.699,1114 19.52,1115 -2.421,1116 11.874,1117 14.626,1118 11.513,1119 23.908,1120 11.196,1121 2.473,1122 8.958,1123 21.361,1124 4.184,1125 12.931,1126 15.939,1127 5.656,1128 26.207,1129 12.18,1130 2.195,1131 7.478,1132 23.209,1133 3.636,1134 14.076,1135 17.394,1136 13.675,1137 28.577,1138 13.264,1139 1.761,1140 6.027,1141 25.063,1142 3.075,1143 15.173,1144 18.759,1145 6.706,1146 30.909,1147 14.288,1148 1.356,1149 4.551,1150 26.922,1151 2.725,1152 16.31,1153 20.194,1154 15.839,1155 33.273,1156 15.358,1157 1.231,1158 3.725,1159 28.785,1160 1.985,1161 17.428,1162 21.586,1163 7.75,1164 35.621,1165 16.403,1166 4668,1167 8725,1168 16.008,1169 26.006,1170 36.054,1171 40.007,1172 37.182,1173 35.847,1174 35.691,1175 44.972,1176 12.03,1177 101.535,1178 32.472,1179 5.503,1180 6.378,1181 6.467,1182 5.195,1183 5.162,1184 7.184,1185 5.9,1186 17.877,1187 4.942,1188 9.958,1189 1.502,1190 1.667,1191 1.549,1192 1.494,1193 1.487,1194 1.874,1195 0.501,1196 4.231,1197 1.353,1198 4.009,1199 4.054,1200 4.098,1201 3.895,1202 7.429,1203 3.897,1204 3.82,1205 3.86,1206 3.942,1207 3.64,1208 5.042,1209 3.655,1210 3.674,1211 3.725,1212 3.667,1213 3.487,1214 4.871,1215 3.486,1216 3.183,1217 3.255,1218 3.462,1219 3.089,1220 4.612,1221 2.996,1222 3.111,1223 3.206,1224 3.249,1225 2.941,1226 4.248,1227 2.91,1228 3.103,1229 3.125,1230 2.949,1231 2.874,1232 3.883,1233 2.907,1234 2.854,1235 2.925,1236 2.866,1237 2.735,1238 3.758,1239 2.715,1240 2.779,1241 2.822,1242 2.687,1243 2.583,1244 3.674,1245 2.599,1246 0.188,1247 0.182,1248 0.278,1249 0.17,1250 0.132,1251 4.503,1252 0.174,1253 4.378,1254 0.123,1255 6.665,1256 0.446,1257 4.091,1258 0.123,1259 3.162,1260 4.184,1261 2.95,1262 10.699,1263 2.942,1264 1.893,1265 1.872,1266 1.975,1267 1.992,1268 1.193,1269 1.98,1270 1.72,1271 1.665,1272 1.918,1273 1.958,1274 1.078,1275 1.959,1276 1.421,1277 1.383,1278 1.542,1279 1.673,1280 0.825,1281 1.643,1282 1.215,1283 1.17,1284 1.513,1285 1.438,1286 0.716,1287 1.466,1288 1.153,1289 1.064,1290 1.341,1291 1.376,1292 0.38,1293 1.429,1294 1.079,1295 1.015,1296 1.183,1297 1.307,1298 0.258,1299 1.293,1300 0.886,1301 0.821,1302 1.181,1303 1.082,1304 0.218,1305 1.107,1306 0.717,1307 0.647,1308 1.022,1309 1.062,1310 0.178,1311 1.061,1312 3.892,1314 5.198,1315 2.398,1316 6.706,1317 4.727,1318 8.295,1319 6.843,1320 9.927,1322 1.874,1323 5.892,1328 2.254,1330 5.271,1331 1.391,1333 1.726,1340 24.691,1341 70.843,1342 134.696,1343 155.995,1344 159.995,1345 159.995,1346 159.995,1347 34.236,1348 6.724,1349 60.25,1350 85.55,1351 17,1352 12.285,1353 3.7,1354 2.907,1355 34.354,1356 69,1357 74,1358 0.247,1359 159.952,1360 271.34,1361 382.043,1362 6348,1363 2.7,1364 15.527,1365 0.706,1366 0.618,1367 16.38,1368 13.602,1369 10.686,1370 0.445,1371 0.351,1372 6.833,1373 9.393,1374 6.532,1375 5.365,1376 11.532,1377 8.431,1378 9.341,1379 0.283,1380 0.18,1381 10.215,1382 5.933,1383 8.106,1384 0.184,1385 0.096,1386 8.892,1387 4.207,1388 6.467,1389 0.115,1390 0.049,1391 7.131,1392 2.76,1393 5.193,1394 0.075,1395 0.028,1396 5.889,1397 1.903,1398 0.378,1399 76.374,1400 0.25,1401 21.538,1402 0.706,1403 114,1404 389.115,1405 164.214,1406 416.674,1407 553.26,1408 390,1409 134,1410 366.354,1411 175.403,1412 386.778,1413 570.61,1414 361,1415 4.301}
{0 CHEMBL130666,1 1.796,2 9.091,3 4.067,4 16.54,5 88.578,6 8.638,7 0.458,8 3.77,9 3.886,10 3.519,11 3.362,12 4.831,13 3.307,14 4.322,15 4.5,16 3.884,17 3.732,18 5.366,19 3.656,20 4.527,21 4.743,22 3.933,23 3.816,24 5.575,25 3.717,26 4.539,27 4.773,28 3.858,29 3.666,30 5.68,31 3.608,32 4.356,33 4.569,34 3.78,35 3.627,36 5.465,37 3.551,38 4.286,39 4.446,40 3.804,41 3.682,42 5.465,43 3.559,44 4.243,45 4.407,46 3.577,47 3.651,48 5.292,49 3.489,50 4.329,51 4.583,52 3.386,53 3.562,54 5.158,55 3.346,56 0.049,57 0.612,58 6.998,59 3.605,60 3.977,61 4.456,62 0.303,63 1.001,64 18.727,65 6.325,66 15.839,67 7.998,68 0.283,69 1.101,70 23.704,71 7.906,72 29.619,73 10.266,74 0.499,75 1.086,76 25.859,77 6.68,78 49.885,79 8.279,80 0.334,81 0.971,82 18.342,83 5.661,84 35.105,85 6.63,86 0.386,87 0.936,88 22.55,89 6.585,90 38.899,91 6.53,92 0.219,93 0.862,94 20.224,95 7.102,96 22.426,97 7.83,98 0.215,99 0.8,100 24.221,101 7.902,102 24.937,103 9.996,104 11,105 33,106 0.322,107 0.623,108 0.745,109 0.789,110 0.789,111 0.789,112 3.147,113 1.107,114 -5.48,115 -5.36,116 -5,121 38.5,123 3,126 1,127 2,144 4,145 1,146 1,151 1,161 1,164 1,168 1,176 6,179 5,180 6,187 7,191 2,192 7,200 4,205 2,206 12,214 2,219 8,227 2,232 9,239 4,244 6,251 3,264 6,269 2,277 6,281 634,282 15.008,283 15.008,284 15.008,285 15.008,286 15.008,287 13.633,288 13.116,289 8.875,290 15.68,291 11.771,292 11.771,293 11.771,294 11.771,295 11.771,296 9.56,297 11.627,298 4.139,299 12.766,300 3.489,301 1.817,302 1.135,303 0.891,304 0.891,305 0.891,306 3.826,308 1,310 1,311 1,312 1,313 427,314 2.646,317 61.432,318 148.406,325 1.38,326 20.597,328 1,329 0.75,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.86,337 47.333,338 200,339 4.503,340 4.378,341 6.665,342 4.092,343 3.162,344 4.184,345 2.95,346 10.699,347 2.943,348 4.098,349 3.723,350 6.127,351 3.745,352 2.783,353 3.636,354 1.678,355 8.958,356 2.672,357 3.758,358 2.984,359 5.675,360 3.383,361 2.473,362 3.075,363 0.527,364 7.478,365 2.238,366 3.489,367 2.786,368 5.03,369 3.084,370 2.195,371 2.725,373 6.027,374 1.896,375 2.951,376 2.482,377 4.622,378 2.715,379 1.761,380 1.985,382 4.551,383 1.652,384 2.741,385 2.351,386 4.246,387 2.246,388 1.356,389 1.833,391 3.725,392 1.18,393 2.5,394 1.696,395 3.773,396 2.172,397 1.231,398 1.5,400 3.001,401 1.136,402 2.421,403 1.411,404 3.414,405 2,406 1,407 1.401,409 2.275,410 1,411 2.05,412 1.274,413 3.291,414 1.984,415 1,416 1,418 2.136,419 0.983,420 2,421 1.077,422 3.247,423 1.581,424 0.561,425 0.779,427 1.442,428 0.561,429 1.495,430 1,431 2.713,432 1.104,433 0.324,434 0.369,436 0.477,437 0.248,438 1.112,439 0.393,440 2.529,441 0.629,442 -0.211,443 -0.265,445 -0.463,446 -0.143,447 0.5,448 0.211,449 2.184,450 0.265,451 -0.746,452 -0.791,454 -1.606,455 -0.733,456 0.454,457 -0.251,458 2,460 -1,461 -1,463 -2.347,464 -0.824,465 0.264,466 -0.782,467 1.721,468 -0.049,469 -1,470 -1.213,472 -2.421,473 -0.887,474 10.981,475 0.499,476 0.486,477 0.022,478 26.5,479 1.205,480 12,481 0.545,482 14.5,483 0.659,484 19.094,485 0.868,486 23.819,487 0.611,488 16.958,489 0.771,490 4.683,491 0.213,492 6.003,493 0.273,494 0.141,496 0.301,501 0.614,502 1.353,503 0.617,504 0.941,505 0.515,506 0.93,507 0.555,508 1.157,509 0.839,510 1.061,511 0.487,512 0.933,513 0.823,514 1.161,515 0.762,516 0.92,517 0.734,518 0.923,519 1.539,520 0.972,521 0.814,522 0.739,523 1.665,524 0.759,525 1.64,526 0.935,527 0.773,528 0.632,529 1.702,530 0.721,531 1.689,532 1.06,533 1.512,534 1.314,535 1.772,536 1.087,537 1.059,538 1.246,539 1.428,540 1.558,541 1.132,542 1.402,543 0.641,544 0.944,545 0.759,546 1.016,547 0.8,548 1.145,549 4,550 0.049,551 2.667,552 1.507,553 1.313,554 0.792,555 0.401,556 0.296,557 0.135,558 0.063,559 4761,560 14032,561 2.07,562 43.6,563 2,564 11,569 4,572 1.648,573 1.941,574 3.182,575 -0.672,577 1,582 70.04,583 1.796,584 3.468,585 4.15,586 4.394,587 4.394,588 4.394,589 2.681,590 3.88,591 4.428,592 3.28,593 757.6,594 7.623,595 8202.66,597 1,598 1,599 1,600 206.131,601 1.395,602 4.392,603 0.167,604 0.008,605 0.081,606 0.046,607 0.044,608 0.028,609 0.015,610 0.014,611 0.009,612 0.006,613 0.418,614 0.33,615 0.88,616 0.797,617 100.354,618 0.048,619 -0.178,620 0.049,621 -0.035,622 0.004,623 -0.027,624 0.269,625 -0.03,626 0.014,627 -0.086,628 0.131,629 -0.007,630 0.098,631 -0.182,632 0.096,633 -0.023,634 0.139,635 0.03,636 -0.146,637 0.042,638 0.038,639 0.097,640 -0.093,641 0.112,642 -0.36,643 0.166,644 0.017,645 0.25,646 -0.243,647 0.139,648 -0.362,649 0.159,650 -0.326,651 -0.087,652 -0.227,653 -0.175,654 -0.181,655 -0.14,656 -0.37,657 -0.373,658 -0.145,659 -0.418,660 0.029,661 -0.08,662 0.073,663 -0.046,664 -0.049,665 -0.102,666 1.753,667 5.63,668 0.773,669 17.074,670 1.008,671 1.128,672 4.248,673 18.044,674 0.7,675 3.219,676 3.526,677 3.807,678 4.043,679 4.248,680 4.29,681 4.331,682 4.394,683 4.466,684 4.344,685 5.327,686 0.654,687 336.88,688 3.219,689 4.745,690 5.595,691 6.466,692 7.338,693 8.217,694 9.097,695 9.982,696 10.866,697 11.754,698 10.3,705 1,706 1,708 2,715 4,716 2,720 4,721 1,722 11,740 1,741 39,743 12,744 1,745 24,747 41,748 15,749 8,750 2,751 4,752 1,756 3,757 3,758 1,761 1,767 3,770 3,772 9,773 6,777 1,782 1,786 1,790 1,793 17,794 4,796 7,797 2,802 4,808 1,809 1,828 1,829 2,859 3,860 1,862 1,864 1,865 1,868 22,876 5,879 1,881 1,890 1,892 1,893 2.6,896 1,901 11.333,902 7.36,903 4.944,904 2.444,907 2.034,908 1.302,909 0.975,910 4.938,911 8.757,912 3.45,913 4.003,914 4.576,915 5.112,916 5.551,917 5.848,918 6.134,919 6.461,920 6.796,921 6.831,922 1,923 33,924 8.146,926 3.429,927 0.026,929 7.717,931 15.67,933 12.774,936 2.217,937 48.778,941 200.109,942 103.113,943 38.349,944 39.149,945 25.145,947 32.22,948 70.893,949 264.402,950 38.349,951 7.19,952 14.939,953 37.905,954 58.593,955 11.484,956 4.276,957 232.328,958 39.149,959 200.109,960 109.243,961 25.145,962 71.368,964 155.352,965 72.229,968 17.409,969 56.057,970 72.597,971 32.22,972 200.109,973 63.494,974 142.262,977 200.109,978 58.018,979 49.996,981 97.742,982 200.109,983 63.494,984 142.262,986 0.575,987 0.344,988 0.184,989 0.104,990 16,991 7,992 0.049,993 2,995 1,996 3.413,997 171.776,999 17,1000 90.107,1001 1,1005 15.691,1006 6.924,1007 3.436,1009 61.718,1010 7.306,1011 8.875,1015 2.675,1016 1.417,1018 405.865,1019 30.5,1024 12.63,1028 -0.086,1031 39.32,1032 43.973,1034 0.34,1035 0.656,1036 0.785,1037 0.831,1038 0.831,1039 0.831,1040 4.68,1041 1,1042 5.572,1043 3.001,1044 4.205,1045 4.687,1046 3.158,1047 6.378,1048 4.06,1049 5.864,1050 1,1051 7.13,1052 2.275,1053 3.761,1054 4.46,1055 1.305,1056 7.281,1057 3.488,1058 7.162,1059 0.561,1060 8.79,1061 2.136,1062 5.79,1063 6.829,1064 5.094,1065 10.387,1066 5.514,1067 8.499,1068 0.324,1069 10.512,1070 1.442,1071 6.196,1072 7.465,1073 2.419,1074 12.131,1075 5.805,1076 9.872,1077 -0.211,1078 12.272,1079 0.477,1080 7.676,1081 9.287,1082 7.204,1083 14.749,1084 7.274,1085 11.269,1086 -0.746,1087 14.059,1088 -0.463,1089 8.465,1090 10.312,1091 3.517,1092 16.833,1093 7.963,1094 12.684,1095 -1,1096 15.866,1097 -1.606,1098 9.728,1099 11.91,1100 9.354,1101 19.285,1102 9.198,1103 3.162,1104 -1,1105 17.687,1106 -2.347,1107 10.698,1108 13.126,1109 4.595,1110 21.516,1111 10.079,1112 2.783,1113 10.699,1114 19.52,1115 -2.421,1116 11.874,1117 14.626,1118 11.513,1119 23.908,1120 11.212,1121 2.473,1122 8.958,1123 21.361,1124 4.184,1125 12.931,1126 15.939,1127 5.656,1128 26.207,1129 12.187,1130 2.195,1131 7.478,1132 23.209,1133 3.636,1134 14.076,1135 17.394,1136 13.675,1137 28.577,1138 13.277,1139 1.761,1140 6.027,1141 25.063,1142 3.075,1143 15.173,1144 18.759,1145 6.706,1146 30.909,1147 14.296,1148 1.356,1149 4.551,1150 26.922,1151 2.725,1152 16.31,1153 20.194,1154 15.839,1155 33.273,1156 15.369,1157 1.231,1158 3.725,1159 28.785,1160 1.985,1161 17.428,1162 21.586,1163 7.75,1164 35.621,1165 16.412,1166 4668,1167 8177,1168 16.008,1169 27.313,1170 36.054,1171 39.821,1172 37.182,1173 35.859,1174 35.691,1175 44.972,1176 10.31,1177 101.535,1178 33.018,1179 5.503,1180 6.378,1181 6.467,1182 5.147,1183 5.162,1184 7.184,1185 5.9,1186 17.877,1187 4.943,1188 9.958,1189 1.502,1190 1.659,1191 1.549,1192 1.494,1193 1.487,1194 1.874,1195 0.43,1196 4.231,1197 1.376,1198 4.013,1199 4.06,1200 4.098,1201 3.897,1202 7.429,1203 3.899,1204 3.846,1205 3.896,1206 3.942,1207 3.7,1208 5.042,1209 3.702,1210 3.707,1211 3.759,1212 3.699,1213 3.561,1214 4.871,1215 3.55,1216 3.216,1217 3.276,1218 3.467,1219 3.098,1220 4.272,1221 3.012,1222 3.142,1223 3.21,1224 3.273,1225 2.96,1226 4.238,1227 2.977,1228 3.111,1229 3.206,1230 2.987,1231 2.941,1232 3.881,1233 2.91,1234 2.854,1235 2.925,1236 2.866,1237 2.735,1238 3.674,1239 2.715,1240 2.833,1241 2.886,1242 2.687,1243 2.678,1244 3.591,1245 2.667,1246 0.188,1247 0.182,1248 0.278,1249 0.17,1250 0.132,1251 4.503,1252 0.174,1253 4.378,1254 0.123,1255 6.665,1256 0.446,1257 4.092,1258 0.123,1259 3.162,1260 4.184,1261 2.95,1262 10.699,1263 2.943,1264 1.893,1265 1.872,1266 2.043,1267 2.025,1268 1.394,1269 2.029,1270 1.822,1271 1.759,1272 1.975,1273 1.962,1274 1.078,1275 1.974,1276 1.453,1277 1.414,1278 1.547,1279 1.706,1280 0.825,1281 1.672,1282 1.239,1283 1.191,1284 1.513,1285 1.444,1286 0.725,1287 1.488,1288 1.153,1289 1.064,1290 1.438,1291 1.376,1292 0.622,1293 1.429,1294 1.101,1295 1.042,1296 1.198,1297 1.317,1298 0.288,1299 1.3,1300 0.905,1301 0.821,1302 1.181,1303 1.21,1304 0.258,1305 1.222,1306 0.886,1307 0.801,1308 1.171,1309 1.062,1310 0.218,1311 1.107,1312 3.892,1314 5.198,1315 2.398,1316 6.706,1317 4.727,1318 8.295,1319 6.843,1320 9.927,1322 1.898,1323 5.904,1328 4.885,1331 1.422,1333 1.851,1340 25.503,1341 70.04,1342 135.27,1343 161.866,1344 171.376,1345 171.376,1346 171.376,1347 34.439,1348 6.724,1349 51.02,1350 76.32,1351 17,1352 12.285,1353 3.7,1354 2.907,1355 34.354,1356 69,1357 74,1358 0.247,1359 165.548,1360 279.85,1361 395.698,1362 6348,1363 2.6,1364 15.527,1365 0.706,1366 0.632,1367 16.38,1368 13.901,1369 10.686,1370 0.445,1371 0.369,1372 7.295,1373 9.538,1374 6.972,1375 5.784,1376 11.532,1377 8.854,1378 9.341,1379 0.283,1380 0.193,1381 10.215,1382 6.381,1383 8.106,1384 0.184,1385 0.103,1386 8.892,1387 4.552,1388 6.467,1389 0.115,1390 0.055,1391 7.131,1392 3.091,1393 5.193,1394 0.075,1395 0.032,1396 5.889,1397 2.208,1398 0.378,1399 75.374,1400 0.25,1401 21.538,1402 0.706,1403 114,1404 345.38,1405 161.335,1406 383.689,1407 513.9,1408 358,1409 134,1410 346.718,1411 172.635,1412 369.155,1413 544.13,1414 345,1415 7.585}
{0 CHEMBL130672,1 1.436,2 11.037,3 4.899,4 24.004,5 108.256,6 6.769,7 0.4,8 4.075,9 4.203,10 3.573,11 3.597,12 5.084,13 3.563,14 4.656,15 4.854,16 4.002,17 4.038,18 5.63,19 3.989,20 4.894,21 5.072,22 4.088,23 4.254,24 5.826,25 4.171,26 5.132,27 5.387,28 3.979,29 4.286,30 6.002,31 4.15,32 5.076,33 5.343,34 3.771,35 4.117,36 5.974,37 3.957,38 4.894,39 5.198,40 3.595,41 3.827,42 5.743,43 3.693,44 4.483,45 4.691,46 3.542,47 3.613,48 5.58,49 3.551,50 4.42,51 4.617,52 3.448,53 3.577,54 5.568,55 3.518,56 0.039,57 0.786,58 12.459,59 5.066,60 9.304,61 7.086,62 0.41,63 1.309,64 23.755,65 8.421,66 33.992,67 12.227,68 0.186,69 1.646,70 29.548,71 11.317,72 26.411,73 16.031,74 0.328,75 1.89,76 39.098,77 13.542,78 45.648,79 20.031,80 0.387,81 1.636,82 37.679,83 13.128,84 55.029,85 18.944,86 0.443,87 1.254,88 32.486,89 10.435,90 49.308,91 15.116,92 0.347,93 0.911,94 21.007,95 6.893,96 40.114,97 9.289,98 0.438,99 0.882,100 19.958,101 5.905,102 49.827,103 8.005,104 37,105 46,106 0.239,107 0.563,108 0.77,109 0.843,110 0.855,111 0.873,112 3.34,113 0.943,114 -4.75,115 -4.66,116 -4.38,121 40.7,122 3,123 1,125 1,126 2,127 1,130 1,144 6,145 3,146 3,161 1,176 11,179 2,180 7,183 2,185 2,187 14,192 8,197 2,200 11,206 9,211 4,214 4,218 1,219 9,224 3,227 2,231 1,232 5,237 1,239 4,243 1,244 4,247 1,249 2,251 8,255 1,259 1,264 10,269 2,277 12,281 1038,282 17.634,283 17.634,284 17.634,285 17.634,286 17.634,287 15.99,288 28.08,289 9.839,290 17.998,291 14.734,292 14.734,293 14.734,294 14.734,295 14.734,296 12.206,297 40.486,298 4.635,299 15.317,300 4.319,301 2.374,302 1.135,303 0.7,304 0.625,305 0.514,306 4.028,311 1,312 1,313 652,314 3.536,317 107.404,318 148.169,320 86.65,321 91.77,324 128.385,325 1.594,326 18.557,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 57.5,338 298,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 4.226,349 3.676,350 6.211,351 3.836,352 2.85,353 3.875,354 0.966,355 8.83,356 2.817,357 3.982,358 2.989,359 6.169,360 3.638,361 2.683,362 3.321,363 0.693,364 8.464,365 2.559,366 3.726,367 2.821,368 5.958,369 3.422,370 2.472,371 2.982,372 0.366,373 8.374,374 2.333,375 3.527,376 2.742,377 5.509,378 3.335,379 2.395,380 2.761,382 7.32,383 2.242,384 3.398,385 2.515,386 5.241,387 3.124,388 2.177,389 2.499,391 6.535,392 2.051,393 3.203,394 2.303,395 4.787,396 2.779,397 1.797,398 2.362,400 4.953,401 1.746,402 2.82,403 1.746,404 4.575,405 2.414,406 1.462,407 1.948,409 4.319,410 1.414,411 2.615,412 1.634,413 4.213,414 2.412,415 1.414,416 1.629,418 3.521,419 1.382,420 2.518,421 1.171,422 4.04,423 2.128,424 1.133,425 1.522,427 3.06,428 1.126,429 1.785,430 0.936,431 3.723,432 1.695,433 0.73,434 0.761,436 1.825,437 0.702,438 1.533,439 0.779,440 3.089,441 1.261,442 0.288,443 0.34,445 0.676,446 0.278,447 1.233,448 0.601,449 3.038,450 0.902,451 -0.035,452 -0.041,454 -0.089,455 -0.032,456 0.96,457 0.21,458 2.656,459 0.655,460 -0.292,461 -0.3,463 -0.732,464 -0.274,465 0.762,466 -0.017,467 2.489,468 0.618,469 -0.374,470 -0.459,472 -0.937,473 -0.367,474 12.867,475 0.477,476 0.966,477 0.036,478 32.75,479 1.213,480 15,481 0.556,482 17.75,483 0.657,484 25.869,485 0.958,486 29.733,487 0.551,488 24.182,489 0.896,490 6.245,491 0.231,492 6.547,493 0.242,494 0.22,495 0.039,496 0.373,501 0.812,502 1.441,503 0.864,504 1.184,505 0.656,506 1.049,507 0.697,508 0.847,509 0.759,510 0.747,511 0.378,512 0.744,513 1.025,514 1.391,515 1.123,516 1.277,517 0.752,518 1.222,519 0.96,520 1.08,521 1.084,522 1.102,523 0.664,524 1.094,525 1.123,526 1.087,527 1.065,528 1.141,529 1.279,530 1.107,531 1.372,532 0.65,533 0.752,534 0.657,535 1.22,536 0.641,537 2.067,538 0.971,539 1.081,540 0.944,541 2.228,542 0.924,543 2.653,544 0.755,545 1.373,546 0.744,547 3.55,548 0.895,549 7.5,550 0.187,551 4.444,552 3.833,553 1.699,554 0.931,555 0.612,556 0.356,557 0.348,558 0.232,559 8985,560 18641,561 2.044,562 50,563 9,564 14,565 1,567 1,569 2,572 1.698,573 1.851,574 3.388,575 -0.382,582 77.52,583 1.436,584 3.381,585 4.62,586 5.055,587 5.129,588 5.241,589 2.834,590 4.505,591 4.729,592 3.566,593 1251.77,594 8.189,595 15969,597 1,600 310.764,601 1.72,602 4.648,603 0.25,604 0.009,605 0.097,606 0.08,607 0.042,608 0.031,609 0.023,610 0.014,611 0.015,612 0.01,613 0.57,614 0.5,615 1,616 0.658,617 133.788,618 0.003,619 -0.213,620 0.075,621 -0.076,622 -0.061,623 -0.006,624 0.3,625 0.306,626 0.224,627 0.263,628 0.268,629 0.242,630 -0.096,631 -0.267,632 -0.167,633 -0.224,634 -0.041,635 -0.21,636 -0.072,637 -0.06,638 -0.11,639 -0.133,640 0.066,641 -0.12,642 0.005,643 -0.166,644 -0.068,645 -0.176,646 -0.042,647 -0.137,648 0.031,649 0.185,650 0.289,651 0.26,652 0.029,653 0.301,654 -0.08,655 -0.014,656 -0.004,657 0.022,658 -0.096,659 0.01,660 -0.37,661 0.272,662 -0.261,663 0.182,664 -0.458,665 -0.004,666 2.13,667 5.35,668 0.667,669 23.012,670 0.992,671 1.128,672 3.52,673 12.394,674 0.649,675 3.434,676 3.85,677 4.174,678 4.5,679 4.7,680 4.779,681 4.934,682 4.997,683 4.997,684 5.063,685 6.478,686 0.608,687 365.52,688 3.434,689 5.03,690 5.922,691 6.853,692 7.766,693 8.705,694 9.63,695 10.574,696 11.508,697 12.456,698 5.6,701 1,704 1,705 1,715 6,720 6,722 12,736 1,737 1,741 54,743 13,744 2,745 30,747 57,748 22,749 12,750 6,751 6,756 4,757 7,763 3,764 1,766 1,767 1,770 1,772 13,773 9,777 1,782 1,786 1,793 27,794 5,795 1,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 5,868 27,876 2,877 1,878 1,880 1,881 2,882 1,893 3.7,896 1,898 1,901 14.583,902 11.317,903 5.681,904 3.218,907 2.18,908 1.282,909 0.963,910 4.438,911 9.912,912 3.638,913 4.248,914 4.775,915 5.322,916 5.809,917 5.989,918 6.281,919 6.525,920 6.632,921 6.855,922 1,923 48,924 10.015,926 4.294,927 0.026,929 7.583,931 19.553,933 16.625,936 2.083,937 56.25,939 1,940 1,941 306.049,942 131.842,943 24.259,945 36.145,948 131.842,949 342.193,950 24.259,951 43.268,952 22.651,953 56.857,954 25.145,955 37.562,956 18.534,957 294.278,959 306.049,960 156.102,961 36.145,964 282.506,965 59.687,968 52.251,969 103.851,972 306.049,973 60.404,974 131.842,977 306.049,978 31.716,979 106.374,980 18.011,981 36.145,982 306.049,983 60.404,984 131.842,986 0.609,987 0.367,988 0.198,989 0.104,990 25,991 12,992 0.053,993 3,994 2,995 1.222,996 3.777,997 241.307,998 0.222,999 18,1000 128.382,1005 18.33,1006 6.537,1007 3.01,1009 60.404,1010 11.805,1015 6.138,1017 18.011,1018 498.295,1019 37,1024 12.35,1028 -0.463,1031 53.563,1032 60.896,1034 0.249,1035 0.587,1036 0.803,1037 0.878,1038 0.891,1039 0.911,1040 4.949,1041 1.462,1042 5.984,1043 4.953,1044 4.533,1045 4.934,1046 2.466,1047 6.927,1048 4.461,1049 6.187,1050 1.414,1051 7.637,1052 4.319,1053 4.443,1054 4.913,1055 1.905,1056 8.283,1057 4.349,1058 7.536,1059 1.133,1060 9.403,1061 3.521,1062 6.293,1063 7.09,1064 3.531,1065 11.444,1066 6.164,1067 8.918,1068 0.73,1069 11.243,1070 3.06,1071 7.004,1072 7.798,1073 3.612,1074 13.711,1075 6.864,1076 10.334,1077 0.288,1078 13.134,1079 1.825,1080 8.434,1081 9.545,1082 4.913,1083 16.533,1084 8.268,1085 11.774,1086 -0.035,1087 15.066,1088 0.676,1089 9.496,1090 10.589,1091 5.293,1092 19.126,1093 9.321,1094 13.236,1095 -0.292,1096 17.03,1097 -0.089,1098 10.812,1099 12.164,1100 6.388,1101 21.874,1102 10.617,1103 3.737,1104 -0.374,1105 19.019,1106 -0.732,1107 12.022,1108 13.38,1109 6.931,1110 24.564,1111 11.813,1112 2.85,1113 15.306,1114 21.029,1115 -0.937,1116 13.318,1117 14.875,1118 7.902,1119 27.297,1120 13.091,1121 2.683,1122 8.83,1123 23.056,1124 4.206,1125 14.589,1126 16.183,1127 8.539,1128 30.014,1129 14.344,1130 2.472,1131 8.464,1132 25.094,1133 3.875,1134 15.89,1135 17.64,1136 9.436,1137 32.744,1138 15.625,1139 2.395,1140 8.374,1141 27.143,1142 3.321,1143 17.186,1144 18.998,1145 10.13,1146 35.469,1147 16.901,1148 2.177,1149 7.32,1150 29.199,1151 2.982,1152 18.493,1153 20.436,1154 10.981,1155 38.197,1156 18.187,1157 1.797,1158 6.535,1159 31.261,1160 2.761,1161 19.8,1162 21.822,1163 11.71,1164 40.925,1165 19.474,1166 8573,1167 12497,1168 19.304,1169 35.063,1170 46.729,1171 47.659,1172 49.44,1173 46.316,1174 46.277,1175 56.41,1176 8.422,1177 146.367,1178 44.615,1179 5.797,1180 5.973,1181 7.316,1182 5.805,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 16.315,1189 1.558,1190 1.589,1191 1.648,1192 1.544,1193 1.543,1194 1.88,1195 0.281,1196 4.879,1197 1.487,1198 4.094,1199 4.131,1200 4.04,1201 3.997,1202 7.435,1203 4.003,1204 3.948,1205 3.98,1206 3.888,1207 3.884,1208 4.843,1209 3.88,1210 3.701,1211 3.743,1212 3.619,1213 3.563,1214 4.735,1215 3.567,1216 3.435,1217 3.477,1218 3.368,1219 3.175,1220 4.446,1221 3.211,1222 3.284,1223 3.378,1224 3.116,1225 3.065,1226 4.151,1227 3.064,1228 3.241,1229 3.335,1230 3.044,1231 3.04,1232 3.997,1233 3.028,1234 3.151,1235 3.245,1236 2.943,1237 2.99,1238 3.898,1239 2.965,1240 3.078,1241 3.13,1242 2.904,1243 2.837,1244 3.866,1245 2.86,1246 0.161,1247 0.132,1248 0.267,1249 0.157,1250 0.125,1251 4.832,1252 0.14,1253 3.973,1254 0.073,1255 8.006,1256 0.51,1257 4.714,1258 0.122,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.94,1265 1.913,1266 2.059,1267 2.035,1268 1.31,1269 2.041,1270 1.901,1271 1.881,1272 2.003,1273 1.985,1274 1.192,1275 1.991,1276 1.633,1277 1.577,1278 1.832,1279 1.836,1280 1.057,1281 1.837,1282 1.534,1283 1.454,1284 1.787,1285 1.755,1286 1.012,1287 1.775,1288 1.319,1289 1.269,1290 1.583,1291 1.607,1292 0.645,1293 1.581,1294 1.22,1295 1.13,1296 1.567,1297 1.474,1298 0.63,1299 1.509,1300 1.191,1301 1.103,1302 1.546,1303 1.42,1304 0.606,1305 1.476,1306 1.015,1307 0.96,1308 1.453,1309 1.295,1310 0.563,1311 1.354,1312 4.111,1314 5.501,1315 3.045,1316 7.081,1317 5.638,1318 8.754,1319 7.921,1320 10.483,1322 10.699,1328 2.174,1329 2.818,1330 5.587,1332 0.354,1333 4.73,1334 0.058,1340 32.815,1341 77.52,1342 182.551,1343 249.48,1344 272.989,1345 276.989,1346 282.989,1347 41.481,1348 7.731,1349 44.81,1350 44.81,1351 22,1352 12.949,1353 3.807,1354 3,1355 40.449,1356 106,1357 106,1358 0.189,1359 200.112,1360 350.02,1361 480.033,1362 24025,1364 19.345,1365 0.716,1366 0.617,1367 19.345,1368 16.667,1369 12.792,1370 0.426,1371 0.314,1372 9.308,1373 12.337,1374 8.852,1375 7.417,1376 12.792,1377 9.431,1378 12.566,1379 0.273,1380 0.177,1381 12.566,1382 8.125,1383 10.792,1384 0.169,1385 0.098,1386 10.792,1387 6.265,1388 9.343,1389 0.105,1390 0.053,1391 9.343,1392 4.688,1393 7.228,1394 0.066,1395 0.029,1396 7.228,1397 3.109,1398 0.298,1399 79.833,1400 0.228,1401 25.839,1402 0.513,1403 152,1404 375.094,1405 165.359,1406 365.005,1407 510.2,1408 342,1409 186,1410 390.092,1411 199.642,1412 399.593,1413 588.72,1414 372,1415 7.509}
{0 CHEMBL130704,1 1.73,2 9.091,3 2.659,4 7.071,5 85.747,6 7.961,7 0.458,8 3.8,9 3.916,10 3.483,11 3.329,12 4.874,13 3.292,14 4.351,15 4.531,16 3.816,17 3.671,18 5.396,19 3.625,20 4.476,21 4.665,22 3.859,23 3.765,24 5.565,25 3.698,26 4.552,27 4.781,28 3.822,29 3.68,30 5.686,31 3.625,32 4.44,33 4.671,34 3.757,35 3.638,36 5.554,37 3.556,38 4.262,39 4.418,40 3.71,41 3.659,42 5.393,43 3.541,44 4.285,45 4.457,46 3.508,47 3.599,48 5.359,49 3.466,50 4.331,51 4.59,52 3.126,53 3.492,54 5.147,55 3.313,56 0.052,57 0.631,58 8.291,59 3.771,60 4.611,61 4.642,62 0.394,63 0.999,64 20.287,65 6.027,66 19.723,67 7.716,68 0.34,69 1.086,70 19.819,71 6.804,72 26.889,73 8.981,74 0.44,75 1.113,76 23.648,77 6.328,78 45.945,79 8.69,80 0.505,81 1.007,82 21.569,83 5.994,84 46.001,85 7.804,86 0.299,87 0.944,88 21.595,89 6.59,90 27.611,91 7.044,92 0.288,93 0.893,94 21.615,95 6.768,96 27.639,97 7.717,98 0.202,99 0.801,100 18.141,101 6.888,102 22.889,103 9.458,104 11,105 33,106 0.309,107 0.623,108 0.765,109 0.783,110 0.783,111 0.783,112 3.147,113 1.046,114 -4.19,115 -4.13,116 -3.9,121 37.5,122 1,126 1,127 4,144 4,145 2,151 1,161 1,164 1,168 1,176 7,179 5,180 4,187 8,191 3,192 6,200 5,205 2,206 8,214 2,218 2,219 6,227 2,231 1,232 7,239 2,243 1,244 6,251 1,256 3,264 1,269 4,281 634,282 15.008,283 15.008,284 15.008,285 15.008,286 15.008,287 13.633,288 14.717,289 8.875,290 15.703,291 11.771,292 11.771,293 11.771,294 11.771,295 11.771,296 9.56,297 13.997,298 4.139,299 12.713,300 3.592,301 1.833,302 1.038,303 0.938,304 0.938,305 0.938,306 3.826,310 1,311 1,312 1,313 427,314 2.646,317 61.432,318 148.406,325 1.38,326 20.653,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 48,338 200,339 4.503,340 4.378,341 6.665,342 4.092,343 3.162,344 4.184,345 2.95,346 10.699,347 2.946,348 4.098,349 3.725,350 6.127,351 3.752,352 2.783,353 3.636,354 1.678,355 8.958,356 2.694,357 3.758,358 2.903,359 5.675,360 3.408,361 2.473,362 3.075,363 0.86,364 7.478,365 2.324,366 3.489,367 2.631,368 5.03,369 3.154,370 2.195,371 2.725,372 0.527,373 6.027,374 2.079,375 2.951,376 2.519,377 4.622,378 2.661,379 1.761,380 1.985,382 4.551,383 1.569,384 2.741,385 2.364,386 4.246,387 2.256,388 1.356,389 1.833,391 3.725,392 1.205,393 2.5,394 1.939,395 3.773,396 2.118,397 1.231,398 1.5,400 3.001,401 1.08,402 2.421,403 1.665,404 3.414,405 2,406 1,407 1.401,409 2.275,410 1,411 2.05,412 1.256,413 3.291,414 1.952,415 1,416 1,418 2.136,419 0.946,420 2,421 1.236,422 3.247,423 1.565,424 0.561,425 0.779,427 1.442,428 0.552,429 1.495,430 1,431 2.713,432 1.108,433 0.324,434 0.369,436 0.477,437 0.25,438 1.112,439 0.277,440 2.529,441 0.773,442 -0.211,443 -0.265,445 -0.463,446 -0.208,447 0.5,448 0.029,449 2.184,450 0.227,451 -0.746,452 -0.791,454 -1.606,455 -0.707,456 0.454,457 -0.186,458 2,460 -1,461 -1,463 -2.347,464 -0.841,465 0.264,466 -0.36,467 1.721,468 -0.088,469 -1,470 -1.213,472 -2.421,473 -0.846,474 10.6,475 0.482,476 0.486,477 0.022,478 26.75,479 1.216,480 12,481 0.545,482 14.75,483 0.67,484 17.966,485 0.817,486 24.2,487 0.605,488 18.085,489 0.822,490 5.149,491 0.234,492 5.537,493 0.252,494 0.126,496 0.311,501 0.73,502 1.42,503 0.721,504 1.08,505 0.588,506 1.007,507 0.959,508 1.055,509 1.014,510 1.024,511 0.657,512 0.857,513 0.96,514 1.19,515 0.8,516 0.957,517 0.869,518 0.995,519 1.245,520 1.096,521 0.825,522 0.858,523 1.672,524 0.883,525 1.265,526 0.808,527 0.899,528 0.61,529 1.55,530 0.702,531 1.386,532 1.199,533 1.876,534 1.472,535 1.454,536 1.183,537 1.163,538 1.228,539 1.774,540 1.635,541 1.236,542 1.414,543 0.674,544 0.899,545 0.799,546 0.963,547 0.793,548 1.148,549 4,550 0.049,551 2.667,552 1.507,553 1.313,554 0.792,555 0.401,556 0.296,557 0.135,558 0.063,559 4761,560 12966,561 2.07,562 45,563 3,564 15,572 1.648,573 1.941,574 3.182,575 -0.672,576 1,577 1,579 1,582 69.215,583 1.73,584 3.489,585 4.284,586 4.384,587 4.384,588 4.384,589 2.681,590 3.88,591 4.428,592 3.28,593 757.6,594 7.623,595 8202.66,596 1,597 1,598 1,599 1,600 212.877,601 1.395,602 4.392,603 0.167,604 0.008,605 0.081,606 0.046,607 0.044,608 0.028,609 0.015,610 0.014,611 0.009,612 0.006,613 0.418,614 0.5,615 1,616 0.797,617 100.354,618 0.037,619 -0.231,620 0.088,621 -0.079,622 -0.027,623 -0.047,624 0.129,625 0.054,626 0.019,628 0.053,629 0.082,630 0.057,631 -0.151,632 0.053,633 -0.042,634 0.067,635 -0.056,636 -0.073,637 -0.08,638 0.073,639 -0.011,640 -0.081,641 0.011,642 -0.061,643 0.236,644 0.099,645 0.301,646 -0.074,647 0.2,648 -0.288,649 0.039,650 -0.411,651 -0.132,652 -0.174,653 -0.208,654 -0.177,655 -0.092,656 -0.5,657 -0.407,658 -0.164,659 -0.424,660 -0.004,661 -0.045,662 -0.029,663 -0.08,664 -0.039,665 -0.124,666 1.807,667 5.596,668 0.773,669 17.074,670 1.008,671 1.131,672 2.958,673 8.753,674 0.673,675 3.219,676 3.526,677 3.807,678 4.043,679 4.248,680 4.29,681 4.331,682 4.394,683 4.466,684 4.344,685 5.327,686 0.635,687 318.44,688 3.219,689 4.745,690 5.595,691 6.466,692 7.338,693 8.217,694 9.097,695 9.982,696 10.866,697 11.754,698 10,705 1,706 1,708 2,715 4,716 2,720 4,721 1,722 11,741 40,743 12,744 1,745 24,747 42,748 15,749 8,750 2,751 4,752 1,756 3,757 3,761 1,763 1,772 9,773 6,777 1,782 1,786 1,789 1,790 1,793 18,794 5,796 7,797 1,802 4,808 1,809 2,828 1,829 2,858 1,859 3,860 1,862 1,864 2,868 22,876 4,878 1,879 1,881 1,890 1,893 5,896 1,897 1,901 11.333,902 7.883,903 4.944,904 2.325,907 2.034,908 1.302,909 0.964,910 4.693,911 8.757,912 3.45,913 4.003,914 4.576,915 5.112,916 5.551,917 5.848,918 6.134,919 6.461,920 6.796,921 6.831,922 1,923 33,924 8.146,926 3.398,927 0.026,929 7.712,931 15.602,933 12.48,936 2.212,937 48.667,940 1,941 211.88,942 113.204,943 38.349,945 36.145,947 32.22,948 80.985,949 248.025,950 38.349,951 16.016,952 16.52,953 37.905,954 69.593,955 11.169,956 4.276,957 244.099,959 211.88,960 119.334,961 36.145,962 32.22,964 214.208,965 25.145,966 11,968 27.815,969 55.742,970 33.449,971 32.22,972 211.88,973 74.494,974 113.204,977 211.88,978 59.284,979 58.821,981 69.593,982 211.88,983 74.494,984 113.204,986 0.575,987 0.344,988 0.184,989 0.104,990 16,991 7,992 0.048,993 2,995 1,996 3.413,997 171.776,999 17,1000 90.107,1001 1,1005 15.379,1006 6.713,1007 3.308,1009 72.718,1010 7.966,1011 8.889,1015 3.269,1016 1.394,1018 399.578,1019 30.5,1024 12.596,1028 -0.14,1031 40.323,1032 45.238,1034 0.325,1035 0.656,1036 0.805,1037 0.824,1038 0.824,1039 0.824,1040 4.68,1041 1,1042 5.572,1043 3.001,1044 4.205,1045 4.687,1046 3.219,1047 6.378,1048 4.075,1049 5.864,1050 1,1051 7.13,1052 2.275,1053 3.761,1054 4.46,1055 1.305,1056 7.281,1057 3.593,1058 7.162,1059 0.561,1060 8.79,1061 2.136,1062 5.79,1063 6.829,1064 5.101,1065 10.387,1066 5.547,1067 8.499,1068 0.324,1069 10.512,1070 1.442,1071 6.196,1072 7.465,1073 2.419,1074 12.131,1075 5.905,1076 9.872,1077 -0.211,1078 12.272,1079 0.477,1080 7.676,1081 9.287,1082 7.205,1083 14.749,1084 7.32,1085 11.269,1086 -0.746,1087 14.059,1088 -0.463,1089 8.465,1090 10.312,1091 3.517,1092 16.833,1093 8.049,1094 12.684,1095 -1,1096 15.866,1097 -1.606,1098 9.728,1099 11.91,1100 9.354,1101 19.285,1102 9.25,1103 3.162,1104 -1,1105 17.687,1106 -2.347,1107 10.698,1108 13.126,1109 4.595,1110 21.516,1111 10.151,1112 2.783,1113 10.699,1114 19.52,1115 -2.421,1116 11.874,1117 14.626,1118 11.513,1119 23.908,1120 11.264,1121 2.473,1122 8.958,1123 21.361,1124 4.184,1125 12.931,1126 15.939,1127 5.656,1128 26.207,1129 12.247,1130 2.195,1131 7.478,1132 23.209,1133 3.636,1134 14.076,1135 17.394,1136 13.675,1137 28.577,1138 13.326,1139 1.761,1140 6.027,1141 25.063,1142 3.075,1143 15.173,1144 18.759,1145 6.706,1146 30.909,1147 14.349,1148 1.356,1149 4.551,1150 26.922,1151 2.725,1152 16.31,1153 20.194,1154 15.839,1155 33.273,1156 15.416,1157 1.231,1158 3.725,1159 28.785,1160 1.985,1161 17.428,1162 21.586,1163 7.75,1164 35.621,1165 16.459,1166 4668,1167 7843,1168 16.008,1169 26.909,1170 36.054,1171 39.956,1172 37.182,1173 35.599,1174 35.691,1175 44.972,1176 12.03,1177 101.535,1178 33.288,1179 5.503,1180 6.378,1181 6.467,1182 5.195,1183 5.162,1184 7.184,1185 5.9,1186 17.877,1187 4.946,1188 9.958,1189 1.502,1190 1.665,1191 1.549,1192 1.483,1193 1.487,1194 1.874,1195 0.501,1196 4.231,1197 1.387,1198 4.016,1199 4.062,1200 4.082,1201 3.906,1202 7.429,1203 3.908,1204 3.832,1205 3.876,1206 3.81,1207 3.646,1208 5.018,1209 3.662,1210 3.685,1211 3.741,1212 3.667,1213 3.492,1214 4.658,1215 3.493,1216 3.205,1217 3.277,1218 3.391,1219 3.131,1220 4.612,1221 3.058,1222 3.179,1223 3.235,1224 3.099,1225 2.967,1226 3.911,1227 2.955,1228 3.111,1229 3.206,1230 2.866,1231 2.941,1232 3.827,1233 2.91,1234 2.985,1235 3.049,1236 2.83,1237 2.735,1238 3.736,1239 2.723,1240 2.854,1241 2.925,1242 2.687,1243 2.69,1244 3.674,1245 2.715,1246 0.188,1247 0.182,1248 0.278,1249 0.17,1250 0.132,1251 4.503,1252 0.174,1253 4.378,1254 0.123,1255 6.665,1256 0.446,1257 4.092,1258 0.123,1259 3.162,1260 4.184,1261 2.95,1262 10.699,1263 2.946,1264 1.924,1265 1.897,1266 2.04,1267 2.007,1268 1.194,1269 2.017,1270 1.72,1271 1.665,1272 1.919,1273 1.981,1274 1.143,1275 1.963,1276 1.421,1277 1.384,1278 1.56,1279 1.675,1280 0.825,1281 1.643,1282 1.322,1283 1.264,1284 1.541,1285 1.514,1286 0.717,1287 1.534,1288 1.153,1289 1.064,1290 1.513,1291 1.386,1292 0.64,1293 1.431,1294 1.13,1295 1.06,1296 1.337,1297 1.376,1298 0.379,1299 1.429,1300 0.913,1301 0.821,1302 1.181,1303 1.184,1304 0.218,1305 1.18,1306 0.886,1307 0.821,1308 1.1,1309 1.081,1310 0.182,1311 1.107,1312 3.892,1314 5.198,1315 2.398,1316 6.706,1317 4.727,1318 8.295,1319 6.843,1320 9.927,1322 3.928,1328 2.318,1330 5.284,1331 1.417,1333 1.747,1340 25.39,1341 69.215,1342 139.574,1343 171.367,1344 175.367,1345 175.367,1346 175.367,1347 32.912,1348 6.724,1349 60.25,1350 85.55,1351 17,1352 12.285,1353 3.7,1354 2.907,1355 34.354,1356 69,1357 74,1358 0.247,1359 161.212,1360 273.43,1361 385.116,1362 6348,1364 15.527,1365 0.706,1366 0.612,1367 15.88,1368 13.468,1369 10.686,1370 0.445,1371 0.349,1372 7.114,1373 9.702,1374 6.776,1375 5.623,1376 11.244,1377 8.364,1378 9.341,1379 0.283,1380 0.177,1381 9.807,1382 5.855,1383 8.106,1384 0.184,1385 0.095,1386 8.603,1387 4.162,1388 6.467,1389 0.115,1390 0.049,1391 6.964,1392 2.738,1393 5.193,1394 0.075,1395 0.027,1396 5.675,1397 1.879,1398 0.378,1399 73.198,1400 0.25,1401 21.538,1402 0.706,1403 114,1404 362.912,1405 148.694,1406 363.438,1407 494.46,1408 342,1409 134,1410 349.491,1411 165.645,1412 361.987,1413 533.53,1414 337,1415 4.301}
{0 CHEMBL130738,1 1.425,2 9.5,3 2.584,4 6.676,5 98.254,6 7.01,7 0.423,8 3.898,9 4.022,10 3.413,11 3.474,12 4.975,13 3.432,14 4.442,15 4.63,16 3.75,17 3.863,18 5.42,19 3.8,20 4.672,21 4.865,22 3.809,23 4.011,24 5.68,25 3.919,26 4.838,27 5.082,28 3.719,29 4.009,30 5.825,31 3.874,32 4.72,33 4.954,34 3.68,35 3.94,36 5.693,37 3.82,38 4.762,39 5.003,40 3.73,41 3.931,42 5.792,43 3.821,44 4.703,45 4.94,46 3.576,47 3.832,48 5.857,49 3.709,50 4.571,51 4.838,52 3.236,53 3.636,54 5.545,55 3.478,56 0.027,57 0.637,58 9.789,59 4.363,60 6.912,61 5.888,62 0.122,63 1.052,64 18.205,65 7.118,66 13.867,67 9.942,68 0.161,69 1.28,70 23.237,71 9.053,72 24.916,73 12.534,74 0.349,75 1.392,76 29.106,77 10.839,78 48.762,79 15.24,80 0.204,81 1.243,82 25.502,83 9.871,84 39.444,85 13.679,86 0.307,87 1.286,88 27.047,89 9.967,90 46.715,91 13.851,92 0.435,93 1.19,94 25.839,95 9.022,96 79.355,97 12.509,98 0.274,99 1.014,100 22.998,101 8.051,102 49.326,103 11.264,104 18,105 36,106 0.245,107 0.596,108 0.763,109 0.814,110 0.831,111 0.854,112 3.229,113 0.949,114 -3.26,115 -3.25,116 -3.12,121 43.5,122 2,123 1,127 3,137 1,138 1,144 5,145 3,154 2,157 1,158 1,176 9,180 6,185 4,187 11,192 5,197 1,200 8,205 1,206 6,209 1,211 1,214 6,219 5,227 7,232 3,235 2,237 1,239 8,243 2,244 5,251 8,256 2,261 1,264 6,269 2,274 2,277 6,281 830,282 16.162,283 16.162,284 16.162,285 16.162,286 16.162,287 14.332,288 18.395,289 9.508,290 16.282,291 12.76,292 12.76,293 12.76,294 12.76,295 12.76,296 9.938,297 22.409,298 4.44,299 12.929,300 4.099,301 2.056,302 1.084,303 0.788,304 0.685,305 0.555,306 3.907,310 1,311 1,312 1,313 483,314 2.646,317 68.145,318 160.729,325 1.542,326 21.791,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 51,338 228,339 4.547,340 3.661,341 6.694,342 4.155,343 3.167,344 4.277,345 1.277,346 10.772,347 3.13,348 4.129,349 3.306,350 6.077,351 3.848,352 2.858,353 3.484,354 0.995,355 8.829,356 2.84,357 3.911,358 2.979,359 5.525,360 3.546,361 2.55,362 3.423,363 0.359,364 7.466,365 2.534,366 3.354,367 2.713,368 5.327,369 3.048,370 2.088,371 2.581,373 6.132,374 2.013,375 3.252,376 2.477,377 4.977,378 2.983,379 1.995,380 2.342,382 5.827,383 1.948,384 3.073,385 2.201,386 4.663,387 2.666,388 1.683,389 2.202,391 4.722,392 1.647,393 2.833,394 2.006,395 4.202,396 2.414,397 1.414,398 1.939,400 3.749,401 1.411,402 2.777,403 1.558,404 3.592,405 2.404,406 1.405,407 1.749,409 3.035,410 1.398,411 2.5,412 1.505,413 3.329,414 2,415 1,416 1.5,418 2.136,419 1,420 2.265,421 1.072,422 3.247,423 1.797,424 0.743,425 0.963,427 1.536,428 0.774,429 1.672,430 1,431 2.904,432 1.337,433 0.303,434 0.383,436 0.673,437 0.309,438 1.282,439 0.451,440 2.762,441 0.99,442 -0.025,443 -0.033,445 -0.055,446 -0.026,447 0.982,448 0.206,449 2.363,450 0.668,451 -0.367,452 -0.468,454 -0.788,455 -0.378,456 0.665,457 -0.167,458 2.26,459 0.396,460 -0.575,461 -0.666,463 -1.308,464 -0.559,465 0.609,466 -0.248,467 2.118,468 0.297,469 -0.693,470 -0.807,472 -1.792,473 -0.683,474 11.467,475 0.478,476 0.592,477 0.025,478 29.25,479 1.219,480 14.5,481 0.604,482 14.75,483 0.615,484 20.116,485 0.838,486 25.733,487 0.559,488 21.042,489 0.877,490 6.068,491 0.253,492 5.511,493 0.23,494 0.145,496 0.34,501 0.639,502 1.255,503 0.834,504 1.072,505 0.504,506 0.988,507 0.824,508 1.06,509 0.874,510 0.92,511 0.589,512 0.893,513 0.969,514 1.208,515 1.121,516 1.174,517 0.809,518 1.159,519 0.925,520 1.021,521 1.036,522 1.05,523 0.978,524 1.058,525 0.985,526 1.054,527 0.977,528 1.041,529 1.056,530 1.018,531 1.037,532 0.977,533 0.936,534 0.981,535 1.131,536 0.955,537 1.262,538 0.975,539 1.134,540 1.01,541 1.278,542 1.048,543 1.345,544 0.869,545 1.128,546 0.944,547 1.354,548 0.997,549 5,550 0.081,551 2.667,552 2.139,553 1.169,554 0.656,555 0.599,556 0.324,557 0.234,558 0.149,559 6127,560 15304,561 2.04,562 47.8,564 12,566 1,567 1,568 8,572 1.671,573 1.895,574 3.237,575 -0.383,576 1,577 1,582 65.538,583 1.425,584 3.468,585 4.439,586 4.735,587 4.839,588 4.969,589 2.678,590 4.22,591 4.558,592 3.39,593 935.773,594 7.875,595 11017.5,597 1,599 1,600 254.084,601 1.459,602 4.507,603 0.192,604 0.006,605 0.074,606 0.059,607 0.038,608 0.021,609 0.019,610 0.012,611 0.013,612 0.009,613 0.444,614 0.5,615 1,616 0.813,617 113.756,618 -0.014,619 -0.092,620 0.042,621 -0.011,622 -0.006,623 0.016,624 -0.06,625 0.053,626 0.054,627 0.082,628 -0.015,629 0.085,630 -0.104,631 -0.133,632 -0.183,633 -0.18,634 -0.05,635 -0.187,636 0.055,637 -0.05,638 -0.056,639 -0.076,640 -0.005,641 -0.082,642 -0.044,643 -0.09,644 -0.008,645 -0.048,646 -0.072,647 -0.028,648 0.059,649 -0.01,650 0.058,651 -0.011,652 -0.007,653 0.015,654 0.052,655 -0.003,656 -0.119,657 -0.058,658 0.09,659 -0.1,660 -0.16,661 0.062,662 -0.112,663 0.004,664 -0.114,665 -0.037,666 1.491,667 5.321,668 0.708,669 19.333,670 0.993,671 1.121,672 2.035,673 4.14,674 0.664,675 3.296,676 3.611,677 3.871,678 4.111,679 4.263,680 4.22,681 4.304,682 4.394,683 4.454,684 4.466,685 5.803,686 0.625,687 322.44,688 3.296,689 4.828,690 5.673,691 6.547,692 7.409,693 8.287,694 9.156,695 10.036,696 10.909,697 11.79,698 4.3,701 1,706 1,715 5,717 1,720 5,722 11,723 1,741 46,743 14,744 1,745 26,747 48,748 20,749 10,750 1,751 5,752 4,756 3,757 3,763 2,767 1,770 1,772 14,773 6,777 3,782 2,784 2,786 2,789 1,790 1,793 22,794 3,795 1,796 4,802 2,808 1,809 2,824 1,828 1,829 2,841 1,849 1,850 1,855 1,859 3,864 2,868 24,876 4,881 1,893 4.3,896 2,901 12.667,902 8.867,903 5.361,904 2.758,907 2.519,908 1.364,909 0.982,910 4.889,911 9.44,912 3.57,913 4.123,914 4.665,915 5.18,916 5.542,917 5.635,918 5.885,919 6.119,920 6.327,921 6.574,922 1,923 36,924 8.901,926 3.741,927 0.026,929 7.757,931 17.148,933 14.07,936 2.257,937 54.167,940 1,941 247.193,942 118.173,943 19.91,945 50.29,948 118.173,949 297.483,950 19.91,951 17.65,952 8.852,953 56.857,954 78.619,955 32.652,956 5.513,957 235.422,959 247.193,960 138.083,961 50.29,964 247.193,965 50.29,968 46.412,969 70.771,970 20.9,972 247.193,973 70.2,974 118.173,977 247.193,978 32.241,979 89.056,980 16.786,981 50.29,982 247.193,983 70.2,984 118.173,986 0.579,987 0.346,988 0.188,989 0.098,990 17,991 8,992 0.083,993 4,995 1,996 3.58,997 191.73,999 17,1000 106.039,1005 16.568,1006 7.083,1007 3.638,1009 53.414,1010 10.271,1012 3.182,1015 4.502,1017 16.786,1018 435.566,1019 34.5,1024 23.666,1026 2.752,1028 0.955,1031 45.694,1032 51.567,1034 0.258,1035 0.628,1036 0.804,1037 0.857,1038 0.876,1039 0.9,1040 4.802,1041 1.405,1042 5.659,1043 3.749,1044 4.29,1045 4.808,1046 1.842,1047 6.463,1048 4.267,1049 6.002,1050 1,1051 7.217,1052 3.035,1053 3.892,1054 4.59,1055 0.325,1056 7.345,1057 3.858,1058 7.302,1059 0.743,1060 8.874,1061 2.136,1062 5.878,1063 6.951,1064 2.052,1065 10.441,1066 5.829,1067 8.638,1068 0.303,1069 10.589,1070 1.536,1071 6.293,1072 7.575,1073 0.504,1074 12.165,1075 6.243,1076 10.008,1077 -0.025,1078 12.341,1079 0.673,1080 7.758,1081 9.407,1082 2.389,1083 14.776,1084 7.69,1085 11.403,1086 -0.367,1087 14.118,1088 -0.055,1089 8.555,1090 10.439,1091 0.585,1092 16.865,1093 8.486,1094 12.817,1095 -0.575,1096 15.916,1097 -0.788,1098 9.812,1099 12.049,1100 2.79,1101 19.308,1102 9.726,1103 3.167,1104 -0.693,1105 17.729,1106 -1.308,1107 10.788,1108 13.285,1109 0.622,1110 21.556,1111 10.699,1112 2.858,1113 10.772,1114 19.555,1115 -1.792,1116 11.962,1117 14.797,1118 3.226,1119 23.944,1120 11.858,1121 2.55,1122 8.829,1123 21.391,1124 4.277,1125 13.022,1126 16.136,1127 0.639,1128 26.26,1129 12.91,1130 2.088,1131 7.466,1132 23.236,1133 3.484,1134 14.165,1135 17.607,1136 3.683,1137 28.631,1138 14.04,1139 1.995,1140 6.132,1141 25.088,1142 3.423,1143 15.264,1144 18.998,1145 0.646,1146 30.977,1147 15.129,1148 1.683,1149 5.827,1150 26.947,1151 2.581,1152 16.398,1153 20.453,1154 4.153,1155 33.346,1156 16.251,1157 1.414,1158 4.722,1159 28.811,1160 2.342,1161 17.516,1162 21.872,1163 0.648,1164 35.706,1165 17.358,1166 6009,1167 9576,1168 17.107,1169 30.534,1170 39.434,1171 41.181,1172 40.152,1173 38.478,1174 38.409,1175 49.688,1176 5.262,1177 109.756,1178 38.008,1179 5.547,1180 5.661,1181 6.496,1182 5.192,1183 5.167,1184 7.277,1185 2.555,1186 17.569,1187 5.13,1188 12.216,1189 1.517,1190 1.584,1191 1.544,1192 1.48,1193 1.477,1194 1.911,1195 0.202,1196 4.221,1197 1.462,1198 4.053,1199 4.089,1200 4.006,1201 3.951,1202 7.453,1203 3.96,1204 3.924,1205 3.963,1206 3.852,1207 3.849,1208 7.426,1209 3.844,1210 3.78,1211 3.82,1212 3.702,1213 3.646,1214 4.802,1215 3.654,1216 3.284,1217 3.346,1218 3.17,1219 3.135,1220 4.748,1221 3.128,1222 3.245,1223 3.306,1224 3.123,1225 3.053,1226 4.295,1227 3.048,1228 3.197,1229 3.263,1230 3.035,1231 3.019,1232 3.932,1233 3.009,1234 3.105,1235 3.168,1236 2.885,1237 2.867,1238 3.828,1239 2.871,1240 2.854,1241 2.925,1242 2.708,1243 2.735,1244 3.674,1245 2.715,1246 0.175,1247 0.141,1248 0.257,1249 0.16,1250 0.122,1251 4.547,1252 0.165,1253 3.661,1254 0.049,1255 6.694,1256 0.414,1257 4.155,1258 0.12,1259 3.167,1260 4.277,1261 1.277,1262 10.772,1263 3.13,1264 1.931,1265 1.898,1266 2.063,1267 2.051,1268 1.298,1269 2.056,1270 1.833,1271 1.808,1272 1.963,1273 1.936,1274 1.108,1275 1.948,1276 1.635,1277 1.599,1278 1.817,1279 1.838,1280 0.971,1281 1.833,1282 1.595,1283 1.533,1284 1.783,1285 1.751,1286 0.897,1287 1.76,1288 1.215,1289 1.157,1290 1.507,1291 1.431,1292 0.742,1293 1.441,1294 1.18,1295 1.106,1296 1.468,1297 1.381,1298 0.638,1299 1.429,1300 1.045,1301 0.977,1302 1.346,1303 1.338,1304 0.422,1305 1.339,1306 0.886,1307 0.821,1308 1.181,1309 1.073,1310 0.24,1311 1.107,1312 3.97,1314 5.283,1315 2.398,1316 6.788,1317 4.844,1318 8.376,1319 6.986,1320 10.006,1322 3.81,1328 2.751,1333 2.276,1340 28.74,1341 65.538,1342 159.52,1343 204.21,1344 217.819,1345 222.574,1346 228.574,1347 44.129,1348 6.921,1349 53.17,1350 53.17,1351 17,1352 12.327,1353 3.907,1354 3.248,1355 39.191,1356 82,1357 84,1358 0.232,1359 178.599,1360 314.14,1361 427.542,1362 8732,1364 17.104,1365 0.713,1366 0.589,1367 17.104,1368 14.134,1369 11.58,1370 0.445,1371 0.316,1372 8.147,1373 11.26,1374 7.84,1375 6.537,1376 11.58,1377 8.226,1378 10.318,1379 0.287,1380 0.177,1381 10.318,1382 6.359,1383 8.664,1384 0.184,1385 0.097,1386 8.664,1387 4.566,1388 7.191,1389 0.12,1390 0.054,1391 7.191,1392 3.263,1393 5.496,1394 0.079,1395 0.031,1396 5.496,1397 2.172,1398 0.359,1399 71.783,1400 0.242,1401 23.332,1402 0.646,1403 124,1404 335.449,1405 131.678,1406 327.721,1407 440.67,1408 306,1409 145,1410 310.73,1411 153.152,1412 321.272,1413 463.46,1414 300,1415 4.523}
{0 CHEMBL130831,1 1.367,2 12.25,3 5.387,4 29.024,5 128.048,6 7.51,7 0.611,8 4.114,9 4.222,10 3.706,11 3.756,12 5.209,13 3.721,14 4.639,15 4.791,16 4.058,17 4.157,18 5.685,19 4.102,20 4.913,21 5.1,22 4.126,23 4.288,24 5.959,25 4.204,26 4.996,27 5.219,28 4.064,29 4.246,30 6.045,31 4.155,32 4.889,33 5.092,34 4.075,35 4.24,36 5.944,37 4.157,38 4.958,39 5.161,40 4.101,41 4.297,42 6.016,43 4.206,44 4.945,45 5.151,46 4.038,47 4.277,48 5.971,49 4.169,50 4.933,51 5.162,52 3.91,53 4.155,54 6.057,55 4.039,56 0.023,57 0.718,58 10.545,59 5.074,60 5.973,61 6.58,62 0.16,63 1.246,64 19.609,65 8.381,66 12.973,67 11.056,68 0.154,69 1.581,70 27.812,71 11.839,72 33.223,73 15.63,74 0.381,75 1.716,76 33.076,77 12.645,78 58.001,79 16.555,80 0.198,81 1.534,82 28.132,83 11.656,84 39.834,85 15.395,86 0.343,87 1.636,88 30.573,89 12.521,90 49.779,91 16.347,92 0.166,93 1.606,94 29.632,95 12.755,96 36.89,97 17.036,98 0.436,99 1.577,100 31.398,101 12.36,102 81.612,103 16.394,104 5,105 50,106 0.22,107 0.512,108 0.667,109 0.803,110 0.86,111 0.866,112 3.503,113 0.907,114 -4.99,115 -4.89,116 -4.58,121 50,123 1,127 3,137 1,138 1,144 14,145 4,153 1,154 1,158 1,160 1,176 19,179 1,180 10,187 20,192 11,200 13,205 1,206 13,214 10,219 8,227 18,231 2,232 6,239 23,244 6,251 22,255 2,256 8,264 15,269 7,277 11,281 1822,282 22.137,283 22.137,284 22.137,285 22.137,286 22.137,287 19.157,288 18.885,289 13.282,290 22.277,291 17.821,292 17.821,293 17.821,294 17.821,295 17.821,296 13.294,297 24.107,298 6.376,299 18.032,300 4.44,301 2.63,302 1.666,303 0.821,304 0.464,305 0.429,306 4.214,311 1,312 1,313 869,314 3.082,317 67.434,318 382.09,321 128.092,325 1.781,326 25.024,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 67,338 392,339 4.702,340 3.705,341 6.887,342 4.246,343 3.273,344 4.651,345 1.277,346 11.526,347 3.186,348 4.206,349 3.656,350 6.238,351 3.895,352 2.9,353 3.709,354 0.995,355 9.22,356 2.892,357 4.097,358 3.048,359 6.072,360 3.737,361 2.734,362 3.513,363 0.98,364 8.759,365 2.742,366 3.913,367 2.978,368 5.531,369 3.547,370 2.551,371 3.441,372 0.359,373 7.484,374 2.534,375 3.518,376 2.483,377 5.423,378 3.095,379 2.127,380 2.918,382 6.605,383 2.061,384 3.379,385 2.219,386 4.986,387 3.006,388 2.037,389 2.712,391 5.862,392 1.958,393 3.246,394 2.151,395 4.93,396 2.909,397 1.912,398 2.336,400 5.39,401 1.9,402 3.008,403 1.822,404 4.227,405 2.513,406 1.515,407 2.222,409 3.811,410 1.508,411 2.872,412 1.759,413 4.044,414 2.45,415 1.441,416 1.94,418 3.422,419 1.45,420 2.825,421 1.519,422 3.603,423 2.41,424 1.414,425 1.899,427 3.036,428 1.407,429 2.663,430 1.323,431 3.591,432 2.186,433 1.196,434 1.708,436 2.79,437 1.182,438 2.5,439 1.202,440 3.585,441 2.006,442 1,443 1.5,445 2.508,446 1.003,447 2.5,448 1.074,449 3.254,450 2,451 1,452 1.5,454 2.136,455 1,456 2.474,457 1,458 3.247,459 2,460 1,461 1.405,463 2.136,464 1,465 2.11,466 1,467 3.247,468 1.579,469 0.554,470 0.826,472 1.391,473 0.562,474 15.467,475 0.483,476 0.657,477 0.021,478 44.5,479 1.391,480 24.5,481 0.766,482 20,483 0.625,484 24.594,485 0.769,486 31.933,487 0.57,488 35.194,489 1.1,490 9.052,491 0.283,492 6.635,493 0.207,494 0.043,496 0.31,501 0.599,502 1.145,503 0.75,504 0.957,505 0.506,506 0.882,507 0.785,508 1.053,509 0.927,510 0.954,511 0.589,512 0.943,513 0.966,514 1.206,515 1.002,516 1.129,517 0.893,518 1.078,519 1.419,520 0.943,521 1.027,522 0.896,523 1.394,524 0.913,525 1.065,526 1.007,527 0.936,528 0.971,529 1.006,530 0.942,531 1.192,532 0.895,533 1.02,534 0.931,535 1.279,536 0.955,537 0.877,538 1.119,539 1.023,540 1.133,541 0.882,542 1.101,543 1.162,544 0.93,545 1.049,546 0.968,547 1.215,548 0.992,549 5,550 0.135,551 3.111,552 2.451,553 1.548,554 1.008,555 0.724,556 0.491,557 0.343,558 0.219,559 14737,560 34968,561 2.174,562 42.9,564 21,565 1,568 2,572 1.748,573 2.087,574 3.58,575 -0.867,582 76.567,583 1.367,584 3.177,585 4.141,586 4.986,587 5.343,588 5.379,589 3.028,590 4.476,591 4.97,592 3.716,593 1843.19,594 8.711,595 26613.2,600 325.212,601 1.198,602 4.954,603 0.139,604 0.005,605 0.062,606 0.048,607 0.033,608 0.021,609 0.014,610 0.011,611 0.009,612 0.007,613 0.348,614 0.33,615 0.88,616 0.406,617 167.389,618 0.014,619 -0.112,620 0.06,621 -0.017,622 -0.02,623 0.016,624 0.016,625 0.019,626 -0.049,627 -0.025,628 -0.017,629 -0.039,630 -0.018,631 -0.205,632 -0.06,633 -0.166,634 0.008,635 -0.126,636 -0.076,637 0.073,638 -0.001,639 0.068,640 -0.072,641 0.046,642 -0.037,643 -0.012,644 0.034,645 0.001,646 0.006,647 0.023,648 -0.028,649 0.096,650 -0.039,651 0.042,652 -0.084,653 0.005,654 -0.007,655 -0.152,656 -0.064,657 -0.148,658 0.005,659 -0.118,660 0.1,661 0.049,662 -0.02,663 0.015,664 0.108,665 -0.009,666 1.743,667 6.153,668 0.844,669 32.809,670 0.992,671 1.107,672 3.757,673 14.114,674 0.702,675 3.611,676 3.932,677 4.234,678 4.522,679 4.779,680 4.844,681 5.03,682 5.193,683 5.273,684 5.375,685 7.085,686 0.665,687 420.54,688 3.611,689 5.153,690 6.014,691 6.895,692 7.774,693 8.665,694 9.554,695 10.45,696 11.346,697 12.247,698 3.6,701 1,706 1,714 2,715 15,720 3,721 1,722 22,741 56,743 25,744 3,745 36,747 60,748 28,749 20,750 4,751 14,752 4,756 5,757 6,767 1,770 1,772 24,773 4,777 3,782 2,784 1,786 3,793 24,794 3,796 4,802 2,808 0.8,809 2,824 1,828 1,829 4,832 1,841 1,849 1,850 1,855 1,859 4,868 32,876 4,881 1,893 3.6,896 2,901 15.333,902 10.067,903 7,904 3.397,907 4.319,908 1.53,909 1.034,910 5.64,911 12.463,912 3.932,913 4.535,914 5.161,915 5.761,916 6.317,917 6.622,918 7.098,919 7.533,920 7.8,921 8.169,922 1,923 51,924 11.889,926 5.152,927 0.026,929 7.667,931 22.947,933 19.307,936 2.167,937 69.333,941 282.506,942 187.34,943 5.023,945 50.29,948 187.34,949 332.796,950 5.023,952 8.852,953 151.191,954 60.128,955 20.339,956 13.915,957 270.735,959 282.506,960 192.364,961 50.29,964 282.506,965 50.29,968 13.875,969 169.012,970 9.476,972 282.506,973 55.313,974 187.34,977 282.506,978 36.149,979 156.215,981 50.29,982 282.506,983 55.313,984 187.34,986 0.577,987 0.341,988 0.19,989 0.108,990 25,991 10,992 0.067,993 4,994 1,995 1.074,996 4.362,997 303.064,998 0.074,999 27,1000 152,1005 20.326,1006 8.88,1007 4.274,1008 1.815,1009 53.414,1010 29.302,1015 2.774,1016 1.687,1018 525.16,1019 50,1024 25.879,1026 1.969,1028 0.898,1031 55.578,1032 61.983,1034 0.235,1035 0.547,1036 0.713,1037 0.859,1038 0.92,1039 0.926,1040 5.156,1041 1.515,1042 5.984,1043 5.39,1044 4.615,1045 5.223,1046 2.108,1047 6.797,1048 4.592,1049 6.36,1050 1.441,1051 7.537,1052 3.811,1053 4.111,1054 4.924,1055 0.325,1056 7.684,1057 4.075,1058 7.662,1059 1.414,1060 9.195,1061 3.422,1062 6.201,1063 7.432,1064 2.264,1065 10.831,1066 6.147,1067 9.003,1068 1.196,1069 10.917,1070 3.036,1071 6.567,1072 8.04,1073 0.504,1074 12.599,1075 6.499,1076 10.38,1077 1,1078 12.681,1079 2.79,1080 8.09,1081 9.975,1082 2.539,1083 15.255,1084 8.003,1085 11.785,1086 1,1087 14.474,1088 2.508,1089 8.87,1090 11.04,1091 0.585,1092 17.393,1093 8.764,1094 13.212,1095 1,1096 16.289,1097 2.136,1098 10.162,1099 12.73,1100 2.889,1101 19.89,1102 10.036,1103 3.273,1104 0.554,1105 18.121,1106 2.136,1107 11.141,1108 14.033,1109 0.622,1110 22.192,1111 10.991,1112 2.9,1113 11.526,1114 19.965,1115 1.391,1116 12.341,1117 15.62,1118 3.289,1119 24.64,1120 12.168,1121 2.734,1122 9.22,1123 21.821,1124 4.651,1125 13.416,1126 17.041,1127 0.639,1128 27.015,1129 13.215,1130 2.551,1131 8.759,1132 23.686,1133 3.709,1134 14.584,1135 18.589,1136 3.722,1137 29.45,1138 14.358,1139 2.127,1140 7.484,1141 25.558,1142 3.513,1143 15.705,1144 20.068,1145 0.646,1146 31.859,1147 15.449,1148 2.037,1149 6.605,1150 27.437,1151 3.441,1152 16.865,1153 21.603,1154 4.176,1155 34.294,1156 16.581,1157 1.912,1158 5.862,1159 29.322,1160 2.918,1161 18.009,1162 23.111,1163 0.648,1164 36.719,1165 17.694,1166 13633,1167 21137,1168 24.849,1169 39.296,1170 54.896,1171 56.212,1172 54.906,1173 53.995,1174 53.921,1175 73.325,1176 7.222,1177 153.606,1178 53.391,1179 5.702,1180 5.705,1181 6.689,1182 5.282,1183 5.273,1184 7.651,1185 2.555,1186 19.061,1187 5.186,1188 10.25,1189 1.525,1190 1.561,1191 1.525,1192 1.5,1193 1.498,1194 2.037,1195 0.201,1196 4.267,1197 1.483,1198 4.165,1199 4.193,1200 4.133,1201 4.08,1202 7.43,1203 4.088,1204 3.94,1205 3.98,1206 3.865,1207 3.861,1208 7.425,1209 3.856,1210 3.883,1211 3.909,1212 3.818,1213 3.827,1214 4.917,1215 3.821,1216 3.797,1217 3.832,1218 3.721,1219 3.685,1220 4.754,1221 3.69,1222 3.455,1223 3.501,1224 3.369,1225 3.332,1226 4.717,1227 3.333,1228 3.292,1229 3.338,1230 3.205,1231 3.125,1232 4.36,1233 3.138,1234 3.212,1235 3.27,1236 3.095,1237 3.04,1238 4.187,1239 3.04,1240 3.016,1241 3.059,1242 2.884,1243 2.887,1244 3.881,1245 2.879,1246 0.131,1247 0.103,1248 0.191,1249 0.118,1250 0.091,1251 4.702,1252 0.129,1253 3.705,1254 0.035,1255 6.887,1256 0.32,1257 4.246,1258 0.088,1259 3.273,1260 4.651,1261 1.277,1262 11.526,1263 3.186,1264 1.964,1265 1.941,1266 2.069,1267 2.06,1268 1.3,1269 2.063,1270 1.927,1271 1.896,1272 2.043,1273 2.044,1274 1.166,1275 2.042,1276 1.893,1277 1.869,1278 2.007,1279 1.966,1280 1.102,1281 1.982,1282 1.792,1283 1.758,1284 1.937,1285 1.915,1286 1.07,1287 1.926,1288 1.53,1289 1.484,1290 1.67,1291 1.707,1292 0.847,1293 1.697,1294 1.247,1295 1.201,1296 1.478,1297 1.441,1298 0.702,1299 1.442,1300 1.196,1301 1.133,1302 1.428,1303 1.407,1304 0.589,1305 1.431,1306 1.013,1307 0.963,1308 1.239,1309 1.179,1310 0.373,1311 1.202,1312 4.29,1314 5.609,1315 2.398,1316 7.13,1317 4.844,1318 8.738,1319 7.05,1320 10.39,1328 2.707,1333 2.302,1340 37.267,1341 76.567,1342 177.909,1343 231.909,1344 279.212,1345 299.212,1346 301.212,1347 53.026,1348 8.144,1349 42.31,1350 42.31,1351 29,1352 12.77,1353 4.7,1354 3.907,1355 45.583,1356 134,1357 146,1358 0.163,1359 225.914,1360 392.82,1361 542.99,1362 42544,1364 21.916,1365 0.685,1366 0.556,1367 21.916,1368 17.777,1369 15.687,1370 0.436,1371 0.302,1372 10.805,1373 15.367,1374 10.554,1375 8.733,1376 15.687,1377 10.888,1378 13.921,1379 0.278,1380 0.164,1381 13.921,1382 8.182,1383 12.142,1384 0.179,1385 0.088,1386 12.142,1387 5.968,1388 10.228,1389 0.112,1390 0.048,1391 10.228,1392 4.328,1393 8.662,1394 0.073,1395 0.026,1396 8.662,1397 3.082,1398 0.254,1399 96.425,1400 0.201,1401 29.825,1402 0.449,1403 172,1404 440.761,1405 181.147,1406 437.062,1407 604.22,1408 410,1409 204,1410 445.259,1411 214.647,1412 457.968,1413 671.28,1414 432,1415 4.155}
{0 CHEMBL130847,1 1.463,2 17.722,3 5.825,4 33.929,5 139.356,6 7.186,7 0.462,8 4.3,9 4.408,10 3.833,11 3.824,12 5.38,13 3.804,14 4.845,15 5.013,16 4.162,17 4.188,18 5.921,19 4.146,20 5.095,21 5.296,22 4.226,23 4.311,24 6.103,25 4.249,26 5.147,27 5.371,28 4.18,29 4.265,30 6.218,31 4.193,32 5.053,33 5.264,34 4.051,35 4.219,36 6.089,37 4.134,38 5.041,39 5.269,40 3.973,41 4.169,42 6.026,43 4.066,44 4.969,45 5.191,46 3.852,47 4.1,48 5.917,49 3.991,50 4.902,51 5.128,52 3.812,53 4.07,54 5.807,55 3.951,56 0.017,57 0.912,58 14.39,59 6.611,60 7.62,61 8.42,62 0.389,63 1.468,64 27.477,65 10.604,66 37.498,67 14.037,68 0.352,69 1.761,70 36.997,71 13.765,72 46.029,73 18.164,74 0.734,75 1.793,76 40.685,77 13.855,78 80.36,79 18.724,80 0.506,81 1.666,82 36.243,83 12.848,84 67.46,85 17.093,86 0.513,87 1.617,88 36.258,89 13.009,90 67.276,91 17.606,92 0.552,93 1.517,94 33.805,95 11.84,96 61.829,97 15.799,98 0.366,99 1.442,100 30.982,101 11.568,102 43.049,103 15.767,104 23,105 52,106 0.23,107 0.534,108 0.748,109 0.872,110 0.903,111 0.903,112 3.615,113 0.95,114 -4.34,115 -4.27,116 -4.03,121 42.6,122 1,123 3,126 1,127 4,144 11,145 3,146 4,159 1,161 1,176 12,179 1,180 13,183 2,185 1,187 13,192 10,197 1,200 7,205 3,206 13,211 3,214 9,218 1,219 6,224 2,227 9,231 1,232 9,237 1,239 8,243 1,244 6,247 1,251 6,255 1,256 4,264 9,268 1,269 3,274 1,277 10,281 2610,282 24.576,283 24.576,284 24.576,285 24.576,286 24.576,287 22.194,288 30.132,289 15.061,290 25.081,291 19.281,292 19.281,293 19.281,294 19.281,295 19.281,296 15.559,297 39.982,298 7.201,299 20.074,300 4.625,301 2.696,302 1.332,303 0.544,304 0.346,305 0.346,306 4.313,312 1,313 1374,314 4.472,318 430.458,322 326.245,325 2.738,326 35.678,329 1,330 0.67,331 0.83,332 1,333 0.5,334 0.83,335 0.5,336 0.76,337 78,338 638,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 2.186,346 11.061,347 3.18,348 4.105,349 3.665,350 6.011,351 3.724,352 2.762,353 3.688,354 0.916,355 8.529,356 2.661,357 4.048,358 3,359 5.683,360 3.613,361 2.643,362 3.676,363 0.86,364 8.002,365 2.563,366 3.684,367 2.98,368 5.408,369 3.393,370 2.462,371 2.964,372 0.86,373 6.915,374 2.275,375 3.617,376 2.82,377 5.298,378 3.233,379 2.272,380 2.895,381 0.366,382 6.849,383 2.172,384 3.387,385 2.634,386 5.125,387 3.137,388 2.184,389 2.527,390 0.172,391 6.041,392 2.064,393 3.307,394 2.491,395 4.886,396 2.947,397 2.009,398 2.503,400 5.693,401 1.861,402 3.085,403 2.167,404 4.611,405 2.796,406 1.832,407 2.17,409 4.928,410 1.757,411 2.904,412 1.784,413 4.125,414 2.55,415 1.555,416 2.08,418 3.384,419 1.54,420 2.715,421 1.708,422 3.719,423 2.436,424 1.452,425 1.811,427 3.095,428 1.425,429 2.671,430 1.571,431 3.592,432 2.317,433 1.36,434 1.739,436 3.015,437 1.294,438 2.611,439 1.37,440 3.56,441 2.242,442 1.255,443 1.605,445 2.916,446 1.235,447 2.478,448 1.298,449 3.486,450 2.169,451 1.179,452 1.451,454 2.591,455 1.164,456 2.364,457 1.274,458 3.464,459 1.88,460 0.853,461 1.247,463 2.039,464 0.869,465 1.761,466 1.049,467 2.99,468 1.656,469 0.69,470 0.717,472 1.17,473 0.661,474 16.967,475 0.471,476 0.729,477 0.02,478 45.25,479 1.257,480 22.5,481 0.625,482 22.75,483 0.632,484 31.437,485 0.873,486 39.433,487 0.58,488 36.405,489 1.011,490 8.969,491 0.249,492 8.56,493 0.238,494 0.098,496 0.289,501 0.772,502 1.312,503 0.807,504 1.17,505 0.587,506 1.019,507 0.86,508 1.015,509 0.9,510 1.003,511 0.545,512 0.953,513 1.155,514 1.064,515 0.944,516 1.03,517 0.844,518 0.963,519 1.136,520 0.916,521 0.928,522 0.885,523 1.089,524 0.87,525 1.27,526 1.006,527 1.102,528 1.001,529 1.438,530 1.018,531 1.084,532 1.033,533 1.019,534 1.013,535 0.956,536 1.009,537 1.297,538 0.955,539 1.192,540 0.996,541 1.163,542 1.065,543 0.961,544 1.096,545 1.075,546 1.098,547 0.802,548 1.109,549 6.5,550 0.194,551 2.889,552 2.5,553 1.933,554 0.868,555 0.645,556 0.345,557 0.3,558 0.184,559 23961,560 60838,561 2.073,562 47.1,563 5,564 22,567 1,569 2,570 2,572 1.766,573 1.964,574 4.063,575 -0.41,582 99.456,583 1.463,584 3.392,585 4.755,586 5.543,587 5.742,588 5.742,589 3.544,590 4.948,591 5.142,592 4.263,593 2685.38,594 8.99,595 47815.2,600 413.947,601 1.3,602 5.112,603 0.167,604 0.006,605 0.056,606 0.046,607 0.039,608 0.02,609 0.016,610 0.01,611 0.009,612 0.006,613 0.374,614 0.17,615 0.75,616 1.357,617 204.11,618 -0.016,619 -0.142,620 0.058,621 -0.077,622 -0.027,623 -0.01,624 0.104,625 0.092,626 0.043,627 0.009,628 0.127,629 0.02,630 -0.079,631 -0.058,632 0.039,633 -0.033,634 0.001,635 0.016,636 0.059,637 0.062,638 0.094,639 0.075,640 0.074,641 0.09,642 -0.129,643 -0.005,644 -0.102,645 -0.025,646 -0.154,647 -0.053,648 -0.026,649 -0.07,650 -0.02,651 -0.032,652 -0.013,653 -0.027,654 -0.146,655 0.033,656 -0.185,657 -0.029,658 -0.162,659 -0.103,660 -0.05,661 -0.112,662 -0.103,663 -0.105,664 -0.056,665 -0.115,666 2.091,667 5.678,668 0.556,669 48.556,670 1.001,671 1.122,672 3.109,673 9.664,674 0.657,675 3.689,676 3.97,677 4.205,678 4.466,679 4.691,680 4.771,681 4.868,682 4.99,683 5.037,684 4.984,685 10.037,686 0.625,687 488.63,688 3.689,689 5.209,690 6.038,691 6.899,692 7.747,693 8.619,694 9.479,695 10.358,696 11.225,697 12.109,698 2.9,701 1,705 1,715 11,720 7,722 18,727 1,737 1,739 2,741 68,743 20,744 3,745 39,747 71,748 29,749 18,750 7,751 11,752 1,756 4,757 7,763 1,770 3,772 20,773 9,777 2,782 2,786 2,793 32,794 7,795 1,796 7,802 2,808 0.5,809 5,829 4,833 2,855 1,859 2,864 2,868 36,876 7,877 1,878 3,881 1,893 7.4,896 2,898 3,901 18.333,902 12.7,903 8.111,904 4.338,907 3.543,908 1.43,909 0.964,910 9.122,911 11.781,912 3.932,913 4.46,914 4.978,915 5.531,916 6.051,917 6.265,918 6.594,919 6.951,920 7.221,921 7.399,922 0.917,923 54,924 13.358,926 5.575,927 0.026,929 7.736,931 25.578,933 20.507,936 2.236,937 80.5,941 364.904,942 182.4,943 21.135,945 83.29,948 182.4,949 448.194,950 21.135,951 17.222,952 36.524,953 104.239,954 55.423,955 66.654,956 6.763,957 364.904,959 364.904,960 203.535,961 83.29,964 317.82,965 130.374,968 48.473,969 155.062,972 364.904,973 104.425,974 182.4,977 364.904,978 60.94,979 124.585,980 18.011,981 83.29,982 364.904,983 104.425,984 182.4,986 0.565,987 0.319,988 0.175,989 0.096,990 22,991 10,992 0.169,993 12,994 2,995 1.2,996 4.875,997 316.861,998 0.2,999 20,1000 184.117,1005 25.898,1006 12.68,1007 7.177,1009 104.425,1010 20.168,1015 4.489,1017 18.011,1018 651.729,1019 50,1024 24.558,1028 -0.459,1031 68.094,1032 76.272,1034 0.24,1035 0.557,1036 0.781,1037 0.911,1038 0.943,1039 0.943,1040 5.15,1041 1.832,1042 5.994,1043 5.693,1044 4.654,1045 5.147,1046 2.639,1047 6.758,1048 4.579,1049 6.32,1050 1.555,1051 7.517,1052 4.928,1053 4.111,1054 4.832,1055 1.847,1056 7.551,1057 4.007,1058 7.6,1059 1.452,1060 9.141,1061 3.384,1062 6.192,1063 7.248,1064 3.582,1065 10.672,1066 6.052,1067 8.915,1068 1.36,1069 10.828,1070 3.095,1071 6.479,1072 7.753,1073 3.603,1074 12.336,1075 6.327,1076 10.263,1077 1.255,1078 12.557,1079 3.015,1080 8.005,1081 9.648,1082 4.922,1083 14.978,1084 7.826,1085 11.636,1086 1.179,1087 14.317,1088 2.916,1089 8.712,1090 10.561,1091 5.291,1092 17.037,1093 8.534,1094 13.03,1095 0.853,1096 16.1,1097 2.591,1098 10.001,1099 12.219,1100 6.39,1101 19.517,1102 9.804,1103 3.215,1104 0.69,1105 17.902,1106 2.039,1107 10.928,1108 13.351,1109 6.93,1110 21.761,1111 10.735,1112 2.762,1113 11.061,1114 19.72,1115 1.17,1116 12.119,1117 14.89,1118 7.902,1119 24.186,1120 11.914,1121 2.643,1122 8.529,1123 21.552,1124 4.198,1125 13.158,1126 16.144,1127 8.539,1128 26.514,1129 12.956,1130 2.462,1131 8.002,1132 23.394,1133 3.688,1134 14.313,1135 17.622,1136 9.436,1137 28.922,1138 14.104,1139 2.272,1140 6.915,1141 25.247,1142 3.676,1143 15.409,1144 18.946,1145 10.13,1146 31.289,1147 15.2,1148 2.184,1149 6.849,1150 27.108,1151 2.964,1152 16.556,1153 20.393,1154 10.981,1155 33.692,1156 16.341,1157 2.009,1158 6.041,1159 28.977,1160 2.895,1161 17.681,1162 21.757,1163 11.71,1164 36.077,1165 17.464,1166 22825,1167 36601,1168 26.235,1169 44.705,1170 56.883,1171 59.226,1172 58.352,1173 56.345,1174 56.288,1175 71.455,1176 10.723,1177 154.4,1178 54.213,1179 5.488,1180 5.692,1181 6.684,1182 5.302,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.18,1188 17.036,1189 1.459,1190 1.519,1191 1.496,1192 1.445,1193 1.443,1194 1.832,1195 0.275,1196 3.959,1197 1.39,1198 4.049,1199 4.058,1200 4.015,1201 3.965,1202 7.435,1203 3.975,1204 3.939,1205 3.967,1206 3.878,1207 3.856,1208 7.427,1209 3.856,1210 3.781,1211 3.807,1212 3.716,1213 3.711,1214 4.947,1215 3.708,1216 3.709,1217 3.78,1218 3.573,1219 3.543,1220 4.813,1221 3.531,1222 3.657,1223 3.72,1224 3.519,1225 3.486,1226 4.708,1227 3.485,1228 3.422,1229 3.472,1230 3.306,1231 3.167,1232 4.385,1233 3.19,1234 3.347,1235 3.416,1236 3.23,1237 3.107,1238 4.305,1239 3.132,1240 3.185,1241 3.203,1242 3.081,1243 3.034,1244 4.22,1245 3.04,1246 0.117,1247 0.095,1248 0.174,1249 0.108,1250 0.082,1251 4.553,1252 0.108,1253 3.692,1254 0.056,1255 6.774,1256 0.284,1257 4.203,1258 0.082,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.058,1267 2.084,1268 1.256,1269 2.073,1270 1.91,1271 1.885,1272 2.032,1273 2.024,1274 1.253,1275 2.027,1276 1.775,1277 1.751,1278 1.971,1279 1.908,1280 1.164,1281 1.927,1282 1.7,1283 1.63,1284 1.911,1285 1.882,1286 1.112,1287 1.895,1288 1.638,1289 1.572,1290 1.855,1291 1.815,1292 0.974,1293 1.831,1294 1.339,1295 1.277,1296 1.634,1297 1.624,1298 0.781,1299 1.619,1300 1.297,1301 1.224,1302 1.606,1303 1.567,1304 0.753,1305 1.586,1306 1.126,1307 1.107,1308 1.356,1309 1.314,1310 0.498,1311 1.299,1312 4.369,1314 5.659,1316 7.144,1318 8.731,1320 10.378,1322 4.116,1328 5.479,1329 2.754,1330 17.206,1333 2.19,1340 42.519,1341 99.456,1342 230.647,1343 323.364,1344 376.928,1345 390.438,1346 390.438,1347 73.918,1348 8.239,1349 81.01,1350 81.01,1351 24,1352 12.646,1353 4.392,1354 3.585,1355 62.838,1356 223,1357 236,1358 0.134,1359 260.743,1360 465.03,1361 627.973,1362 56791,1364 25.33,1365 0.704,1366 0.577,1367 25.33,1368 20.789,1369 17.529,1370 0.449,1371 0.317,1372 12.175,1373 16.839,1374 11.871,1375 9.919,1376 17.529,1377 12.348,1378 15.267,1379 0.294,1380 0.17,1381 15.267,1382 8.842,1383 12.296,1384 0.186,1385 0.089,1386 12.296,1387 5.863,1388 10.41,1389 0.121,1390 0.047,1391 10.41,1392 4.004,1393 8.219,1394 0.076,1395 0.024,1396 8.219,1397 2.602,1398 0.224,1399 110.022,1400 0.195,1401 34.229,1402 0.334,1403 182,1404 558.656,1405 202.077,1406 526.549,1407 715.91,1408 494,1409 209,1410 523.723,1411 228.445,1412 524.551,1413 767.69,1414 493,1415 7.444}
{0 CHEMBL130880,1 1.273,2 5.071,3 2.517,4 6.336,5 58.117,6 6.277,7 0.375,8 3.492,9 3.635,10 2.938,11 3.076,12 4.37,13 3.014,14 4.099,15 4.299,16 3.317,17 3.536,18 4.874,19 3.434,20 4.388,21 4.649,22 3.334,23 3.616,24 5.148,25 3.481,26 4.291,27 4.554,28 3.142,29 3.475,30 5.15,31 3.333,32 4.189,33 4.472,34 2.659,35 3.302,36 4.909,37 3.088,38 4.038,39 4.374,40 2.065,41 3.014,42 4.474,43 2.706,44 3.711,45 4.113,46 0.934,47 2.411,48 3.97,49 1.968,50 2.721,51 3.192,52 0.107,53 1.2,54 2.833,55 0.747,56 0.041,57 0.449,58 7.38,59 2.986,60 4.689,61 4.365,62 0.064,63 0.764,64 13.537,65 5.56,66 6.4,67 8.132,68 0.122,69 0.941,70 18.241,71 6.496,72 12.252,73 9.978,74 0.179,75 0.861,76 16.853,77 5.324,78 19.689,79 8.441,80 0.132,81 0.721,82 14.944,83 5.105,84 15.621,85 7.907,86 0.073,87 0.539,88 12.372,89 5.002,90 7.346,91 7.374,92 0.052,93 0.329,94 8.734,95 3.452,96 5.023,97 5.149,98 0.023,99 0.096,100 3.077,101 1.115,102 2.489,103 1.717,104 2,105 23,106 0.248,107 0.488,108 0.622,109 0.749,110 0.853,111 0.853,112 2.739,113 1.059,114 -3.34,115 -3.33,116 -3.19,121 40,123 7,145 2,146 1,148 2,165 1,166 1,167 1,176 7,180 4,185 2,187 8,189 2,192 4,197 2,200 4,203 2,206 1,208 1,209 1,211 4,214 6,216 4,224 1,227 7,229 1,239 4,281 110,282 9.707,283 9.707,284 9.707,285 9.707,286 9.707,287 8.902,288 10.916,289 5.683,290 9.772,291 7.9,292 7.9,293 7.9,294 7.9,295 7.9,296 6.569,297 7.597,298 2.677,299 8.026,300 3.634,301 2.402,302 1.717,303 1.067,304 0.533,305 0.533,306 3.409,311 1,312 1,313 159,314 1.581,317 19.192,318 43.526,321 32.994,322 37.086,325 0.663,326 7.98,329 1,330 0.67,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.83,337 29,338 71,339 4.561,340 3.412,341 6.771,342 4.193,343 3.211,344 4.279,346 11.044,347 3.152,348 3.808,349 2.829,350 5.989,351 3.539,352 2.547,353 3.153,355 8.393,356 2.526,357 3.387,358 2.313,359 5.276,360 3.032,361 2.072,362 2.665,364 6.31,365 1.986,366 2.523,367 1.59,368 4.073,369 2.457,370 1.466,371 1.524,373 3.166,374 1.451,375 2.237,376 1.508,377 3.726,378 2.155,379 1.158,380 1.221,382 3.109,383 1.154,384 2.206,385 1.171,386 3.504,387 2.095,388 1.106,389 1.186,391 2.489,392 1.093,393 1.636,394 0.878,395 3.275,396 1.55,397 0.572,398 0.596,400 1.402,401 0.558,402 1.127,403 0.048,404 2.778,405 0.841,406 -0.111,407 -0.13,409 -0.281,410 -0.105,411 0.517,412 -0.531,413 2.289,414 0.299,415 -0.684,416 -0.764,418 -1.718,419 -0.67,420 0.211,421 -0.733,422 2,423 0.075,424 -0.908,425 -0.999,427 -2.159,428 -0.891,429 -0.061,430 -1.051,431 1.591,432 -0.306,433 -1.279,434 -1.456,436 -3.38,437 -1.243,438 -0.437,439 -1.311,440 1.429,441 -0.584,442 -1.569,443 -1.727,445 -4.301,446 -1.538,447 -0.447,448 -1.44,449 1.363,450 -0.647,451 -1.637,452 -1.972,454 -5.033,455 -1.625,456 -0.5,457 -1.75,458 1.107,459 -0.956,460 -1.946,461 -2.22,463 -5.677,464 -1.879,465 -0.826,466 -1.814,467 0.512,468 -1,469 -2,470 -2.355,472 -5.828,473 -1.97,474 6.8,475 0.486,476 0.312,477 0.022,478 15.25,479 1.089,480 6.5,481 0.464,482 8.75,483 0.625,484 11.826,485 0.845,486 15.4,487 0.513,488 6.802,489 0.486,490 2.304,491 0.165,492 4.556,493 0.325,494 0.059,496 0.368,501 1.07,502 1.125,503 0.967,504 1.018,505 1.127,506 0.99,507 0.653,508 1.22,509 0.907,510 1.116,511 0.554,512 1.046,513 1.033,514 1.179,515 0.936,516 1.029,517 0.921,518 0.984,519 1.726,520 1.067,521 1.228,522 1.034,523 1.762,524 1.082,525 1.658,526 1.007,527 1.389,528 1.143,529 1.87,530 1.228,531 0.512,532 0.9,533 1.001,534 1.068,535 0.516,536 1.072,537 0.192,538 0.648,539 0.666,540 0.769,541 0.107,542 0.757,549 2,551 1.778,552 1.063,553 0.978,554 0.167,555 0.024,559 1295,560 2126,561 2.2,562 53.3,563 10,567 2,568 4,572 1.515,573 2.1,574 2.442,575 0.408,579 1,582 38.187,583 1.273,584 2.505,585 3.19,586 3.84,587 4.374,588 4.374,589 1.577,590 3.236,591 3.789,592 2.418,593 220.044,594 6.34,595 1680.08,597 1,600 147.207,601 1.264,602 3.757,603 0.125,605 0.077,606 0.048,607 0.058,608 0.019,609 0.006,613 0.333,614 1,615 1,616 0.544,617 50.693,618 -0.081,619 0.11,620 0.055,621 0.113,622 -0.045,623 0.098,624 0.092,625 -0.129,626 0.072,627 -0.028,628 0.103,629 0.012,630 0.047,631 -0.168,632 0.05,633 -0.053,634 0.031,635 -0.01,636 -0.15,637 0.007,638 -0.206,639 -0.117,640 -0.15,641 -0.157,642 -0.404,643 -0.009,644 -0.409,645 -0.219,646 -0.403,647 -0.298,648 -0.004,649 -0.094,650 -0.099,651 -0.119,652 0.009,653 -0.117,654 0.203,655 0.013,656 0.209,657 0.117,658 0.204,659 0.155,660 0.462,661 0.514,662 0.869,663 0.795,664 0.379,665 0.852,666 0.581,667 2.215,668 0.929,669 5.449,670 0.98,671 1.13,672 2.113,673 4.465,674 0.645,675 2.833,676 3.178,677 3.526,678 3.829,679 4.007,680 4.06,681 4.111,682 4.127,683 3.951,684 3.584,685 3.226,686 0.591,687 188.3,688 2.833,689 4.369,690 5.252,691 6.151,692 7.048,693 7.953,694 8.854,695 9.76,696 10.662,697 11.568,698 6.7,702 1,708 1,716 1,720 5,722 6,733 1,741 30,743 6,745 16,747 32,748 12,749 5,756 3,757 6,767 7,770 7,772 5,773 7,790 1,793 16,794 2,795 2,796 2,802 2,808 0.333,822 1,828 1,829 2,832 1,833 1,859 1,868 14,869 1,876 7,901 6.667,902 5.283,903 3.028,904 2.183,907 1.286,908 1.207,909 1.039,910 1.843,911 7.504,912 2.996,913 3.597,914 4.201,915 4.755,916 5.229,917 5.444,918 5.565,919 5.651,920 5.458,921 4.983,922 0.5,923 22,924 5.228,925 0.002,926 2.28,927 0.026,929 7.345,931 10.666,933 9.545,936 1.845,937 25.833,938 0.019,941 164.795,942 32.383,943 49.683,948 32.383,949 164.795,950 49.683,952 17.742,953 32.897,954 16.786,955 14.641,957 164.795,959 164.795,960 82.066,964 164.795,968 23.255,969 42.025,970 16.786,972 164.795,973 49.683,974 32.383,977 164.795,978 32.383,981 49.683,982 164.795,983 49.683,984 32.383,986 0.586,987 0.364,988 0.21,989 0.105,990 14,991 5,994 2,995 1.308,996 2.65,997 97.608,998 0.308,999 13,1000 49.303,1005 8.427,1006 3.061,1007 1.212,1009 49.683,1011 4.775,1015 6.419,1017 32.897,1018 246.861,1019 19,1031 29.389,1032 33.903,1034 0.259,1035 0.51,1036 0.65,1037 0.783,1038 0.891,1039 0.891,1040 4.256,1041 -0.111,1042 5.242,1043 1.402,1044 3.85,1045 4.277,1047 6.103,1048 3.816,1049 5.448,1050 -0.684,1051 6.828,1052 -0.281,1053 3.434,1054 4.227,1056 7.091,1057 3.374,1058 6.775,1059 -0.908,1060 8.521,1061 -1.718,1062 5.476,1063 6.494,1065 10.248,1066 5.407,1067 8.145,1068 -1.279,1069 10.277,1070 -2.159,1071 5.943,1072 7.295,1074 12.07,1075 5.85,1076 9.553,1077 -1.569,1078 12.073,1079 -3.38,1080 7.43,1081 9.061,1083 14.736,1084 7.325,1085 10.986,1086 -1.637,1087 13.896,1088 -4.301,1089 8.288,1090 10.216,1092 16.882,1093 8.162,1094 12.436,1095 -1.946,1096 15.737,1097 -5.033,1098 9.565,1099 11.8,1101 19.383,1102 9.424,1103 3.211,1104 -2,1105 17.59,1106 -5.677,1107 10.596,1108 13.112,1110 21.668,1111 10.434,1112 2.547,1113 11.044,1114 19.454,1115 -5.828,1116 11.795,1117 14.623,1119 24.108,1120 11.617,1121 2.072,1122 8.393,1123 21.325,1124 4.279,1125 12.901,1126 16.009,1128 26.455,1129 12.702,1130 1.466,1131 6.31,1132 23.202,1133 3.153,1134 14.074,1135 17.489,1137 28.871,1138 13.857,1139 1.158,1140 3.166,1141 25.083,1142 2.665,1143 15.211,1144 18.91,1146 31.246,1147 14.974,1148 1.106,1149 3.109,1150 26.969,1151 1.524,1152 16.376,1153 20.375,1155 33.653,1156 16.121,1157 0.572,1158 2.489,1159 28.859,1160 1.221,1161 17.529,1162 21.813,1164 36.041,1165 17.253,1166 1269,1167 1681,1168 11.038,1169 19.341,1170 24.094,1171 24.672,1172 24.977,1173 24.305,1174 24.265,1175 29.249,1177 71.825,1178 23.841,1179 5.506,1180 5.412,1181 6.453,1182 5.236,1183 5.211,1184 7.279,1186 18.579,1187 5.152,1188 3.784,1189 1.506,1190 1.542,1191 1.561,1192 1.519,1193 1.517,1194 1.828,1196 4.489,1197 1.49,1198 4.057,1199 4.095,1200 4.001,1201 3.972,1202 5.103,1203 3.974,1204 3.7,1205 3.759,1206 3.557,1207 3.6,1208 4.659,1209 3.582,1210 3.278,1211 3.361,1212 3.12,1213 3.12,1214 4.151,1215 3.109,1216 3.118,1217 3.204,1218 2.963,1219 2.938,1220 3.836,1221 2.928,1222 2.88,1223 2.994,1224 2.65,1225 2.648,1226 3.489,1227 2.635,1228 2.685,1229 2.816,1230 2.414,1231 2.44,1232 3.223,1233 2.421,1234 2.538,1235 2.632,1236 2.325,1237 2.293,1238 3.032,1239 2.292,1240 2.052,1241 2.208,1242 1.759,1243 1.713,1244 2.776,1245 1.696,1246 0.285,1247 0.213,1248 0.423,1249 0.262,1250 0.201,1251 4.561,1252 0.267,1253 3.412,1255 6.771,1256 0.69,1257 4.193,1258 0.197,1259 3.211,1260 4.279,1262 11.044,1263 3.152,1264 1.962,1265 1.929,1266 2.092,1267 2.075,1268 1.417,1269 2.081,1270 1.572,1271 1.515,1272 1.833,1273 1.735,1274 1.176,1275 1.772,1276 1.543,1277 1.481,1278 1.742,1279 1.705,1280 1.008,1281 1.726,1282 1.124,1283 1.041,1284 1.455,1285 1.361,1286 0.747,1287 1.393,1288 0.958,1289 0.886,1290 1.27,1291 1.226,1292 0.504,1293 1.251,1294 0.75,1295 0.619,1296 1.125,1297 1.078,1298 0.042,1299 1.11,1300 0.25,1301 0.111,1302 0.743,1303 0.614,1305 0.663,1306 0.146,1308 0.71,1309 0.519,1311 0.6,1312 3.497,1314 4.828,1315 2.398,1316 6.382,1317 4.595,1318 8.042,1319 6.605,1320 9.758,1326 6.215,1328 8.424,1340 17.73,1341 38.187,1342 75.149,1343 95.697,1344 115.207,1345 131.207,1346 131.207,1347 14.859,1348 6.219,1349 38.91,1350 38.91,1351 17,1352 12.087,1353 2.807,1354 2,1355 18.023,1356 30,1357 17,1358 0.354,1359 108.505,1360 182.26,1361 256.512,1362 3271,1364 9.544,1365 0.682,1366 0.605,1367 9.544,1368 8.474,1369 6.86,1370 0.429,1371 0.353,1372 5.625,1373 6.766,1374 5.511,1375 4.522,1376 6.86,1377 5.65,1378 6.158,1379 0.268,1380 0.193,1381 6.158,1382 4.437,1383 5.642,1384 0.171,1385 0.108,1386 5.642,1387 3.548,1388 4.978,1389 0.111,1390 0.062,1391 4.978,1392 2.789,1393 3.768,1394 0.07,1395 0.035,1396 3.768,1397 1.888,1398 0.503,1399 41.858,1400 0.301,1401 13.581,1402 1.139,1403 78,1404 146.957,1405 81.081,1406 149.52,1407 217.55,1408 142,1409 95,1410 171.662,1411 98.497,1412 175.392,1413 261.74,1414 168,1415 6.182}
{0 CHEMBL130918,1 1.521,2 17.722,3 5.213,4 27.18,5 137.512,6 7.308,7 0.462,8 4.292,9 4.401,10 3.838,11 3.799,12 5.388,13 3.787,14 4.835,15 5.006,16 4.168,17 4.16,18 5.933,19 4.126,20 5.074,21 5.275,22 4.229,23 4.279,24 6.099,25 4.226,26 5.129,27 5.353,28 4.185,29 4.232,30 6.228,31 4.169,32 5.03,33 5.241,34 4.052,35 4.189,36 6.073,37 4.112,38 5.027,39 5.254,40 3.977,41 4.144,42 6.031,43 4.047,44 4.95,45 5.171,46 3.852,47 4.079,48 5.906,49 3.976,50 4.892,51 5.118,52 3.815,53 4.049,54 5.81,55 3.938,56 0.036,57 0.926,58 13.927,59 6.319,60 7.873,61 8.058,62 0.476,63 1.467,64 27.013,65 10.06,66 40.133,67 13.43,68 0.395,69 1.737,70 35.976,71 13.022,72 46.43,73 17.343,74 0.842,75 1.751,76 40.061,77 13.102,78 86.999,79 17.886,80 0.544,81 1.632,82 35.236,83 12.209,84 65.985,85 16.365,86 0.617,87 1.585,88 35.793,89 12.461,90 70.696,91 16.997,92 0.582,93 1.484,94 33.009,95 11.401,96 62.361,97 15.304,98 0.423,99 1.425,100 30.652,101 11.1,102 45.324,103 15.223,104 23,105 52,106 0.24,107 0.567,108 0.793,109 0.892,110 0.901,111 0.901,112 3.615,113 0.939,114 -3.81,115 -3.78,116 -3.59,121 41.8,122 1,123 3,126 1,127 4,144 9,145 3,146 3,147 1,149 1,159 1,161 1,176 10,179 2,180 14,183 2,185 1,187 10,192 10,197 1,200 5,205 4,206 14,211 3,214 7,218 1,219 6,224 2,227 6,231 2,232 9,237 1,239 6,243 1,244 5,247 1,251 5,255 1,256 5,264 8,268 1,269 3,274 1,277 9,281 2610,282 24.576,283 24.576,284 24.576,285 24.576,286 24.576,287 22.194,288 30.132,289 15.061,290 25.146,291 19.281,292 19.281,293 19.281,294 19.281,295 19.281,296 15.559,297 39.982,298 7.201,299 20.179,300 4.546,301 2.473,302 1.038,303 0.411,304 0.351,305 0.351,306 4.313,312 1,313 1374,314 4.472,318 430.458,322 326.245,325 2.738,326 37.559,329 1,330 0.67,331 0.83,332 1,333 0.5,334 0.83,335 0.5,336 0.76,337 78.5,338 638,339 4.553,340 3.692,341 6.774,342 4.198,343 3.215,344 4.198,345 2.186,346 11.061,347 3.169,348 4.105,349 3.665,350 6.011,351 3.724,352 2.762,353 3.688,354 0.916,355 8.529,356 2.661,357 4.048,358 3,359 5.683,360 3.606,361 2.643,362 3.676,363 0.86,364 8.002,365 2.544,366 3.684,367 2.98,368 5.408,369 3.393,370 2.462,371 2.964,372 0.86,373 6.915,374 2.275,375 3.617,376 2.82,377 5.298,378 3.222,379 2.272,380 2.895,381 0.366,382 6.849,383 2.145,384 3.387,385 2.634,386 5.125,387 3.136,388 2.184,389 2.527,390 0.172,391 6.041,392 2.063,393 3.307,394 2.491,395 4.886,396 2.939,397 2.009,398 2.503,400 5.693,401 1.846,402 3.085,403 2.167,404 4.611,405 2.796,406 1.832,407 2.17,409 4.928,410 1.757,411 2.904,412 1.784,413 4.125,414 2.55,415 1.555,416 2.08,418 3.384,419 1.54,420 2.715,421 1.708,422 3.719,423 2.422,424 1.452,425 1.811,427 3.095,428 1.403,429 2.671,430 1.571,431 3.592,432 2.316,433 1.36,434 1.739,436 3.015,437 1.292,438 2.611,439 1.37,440 3.56,441 2.224,442 1.255,443 1.605,445 2.916,446 1.211,447 2.478,448 1.298,449 3.486,450 2.169,451 1.179,452 1.451,454 2.591,455 1.163,456 2.364,457 1.274,458 3.464,459 1.861,460 0.853,461 1.247,463 2.039,464 0.851,465 1.761,466 1.049,467 2.99,468 1.656,469 0.69,470 0.717,472 1.17,473 0.661,474 16.867,475 0.469,476 0.729,477 0.02,478 45.75,479 1.271,480 22.5,481 0.625,482 23.25,483 0.646,484 31.124,485 0.865,486 39.533,487 0.59,488 36.718,489 1.02,490 9.049,491 0.251,492 8.481,493 0.236,494 0.099,496 0.291,501 0.781,502 1.378,503 0.79,504 1.199,505 0.587,506 1.025,507 0.84,508 1.012,509 0.884,510 0.987,511 0.545,512 0.939,513 1.123,514 1.103,515 0.924,516 1.051,517 0.84,518 0.966,519 1.114,520 0.909,521 0.916,522 0.872,523 1.071,524 0.859,525 1.228,526 1.023,527 1.083,528 1.015,529 1.35,530 1.021,531 1.052,532 1.008,533 1.012,534 1.005,535 0.948,536 1.008,537 1.24,538 0.956,539 1.178,540 1.012,541 1.148,542 1.077,543 0.971,544 1.078,545 1.08,546 1.096,547 0.813,548 1.11,549 6.5,550 0.194,551 2.889,552 2.5,553 1.933,554 0.868,555 0.645,556 0.345,557 0.3,558 0.184,559 23961,560 62970,561 2.073,562 46.3,563 5,564 20,566 1,567 1,569 2,570 2,572 1.766,573 1.964,574 4.063,575 -0.383,582 101.877,583 1.521,584 3.593,585 5.028,586 5.655,587 5.715,588 5.715,589 3.544,590 4.948,591 5.142,592 4.263,593 2685.38,594 8.99,595 47815.2,600 406.428,601 1.3,602 5.112,603 0.167,604 0.006,605 0.056,606 0.046,607 0.039,608 0.02,609 0.016,610 0.01,611 0.009,612 0.006,613 0.374,614 0.33,615 0.75,616 1.357,617 204.11,618 -0.023,619 -0.19,620 0.06,621 -0.101,622 -0.024,623 -0.021,624 0.126,625 0.101,626 0.053,627 0.022,628 0.135,629 0.028,630 -0.078,631 -0.097,632 0.052,633 -0.05,634 0.004,635 0.015,636 0.075,637 0.06,638 0.108,639 0.087,640 0.095,641 0.102,642 -0.127,643 -0.028,644 -0.091,645 -0.033,646 -0.142,647 -0.052,648 -0.003,649 -0.055,650 -0.013,651 -0.021,652 -0.005,653 -0.022,654 -0.142,655 0.021,656 -0.179,657 -0.035,658 -0.161,659 -0.105,660 -0.063,661 -0.099,662 -0.109,663 -0.1,664 -0.065,665 -0.113,666 2.094,667 5.638,668 0.556,669 48.556,670 1.005,671 1.125,672 2.585,673 6.682,674 0.656,675 3.689,676 3.97,677 4.205,678 4.466,679 4.691,680 4.771,681 4.868,682 4.99,683 5.037,684 4.984,685 10.037,686 0.627,687 489.62,688 3.689,689 5.209,690 6.038,691 6.899,692 7.747,693 8.619,694 9.479,695 10.358,696 11.225,697 12.109,698 4.5,701 1,705 1,708 1,715 10,716 1,720 7,722 18,727 1,737 1,739 2,741 67,743 20,744 2,745 39,747 70,748 28,749 17,750 5,751 7,752 1,756 4,757 7,763 1,770 3,772 19,773 9,777 2,782 2,786 2,793 31,794 8,795 1,796 8,802 3,808 0.5,809 5,822 1,829 4,833 2,855 1,859 2,864 2,868 36,876 7,877 1,878 3,881 1,893 7.5,896 2,898 3,901 18.333,902 12.567,903 8.111,904 4.26,907 3.543,908 1.43,909 0.961,910 9.067,911 11.781,912 3.932,913 4.46,914 4.978,915 5.531,916 6.051,917 6.265,918 6.594,919 6.951,920 7.221,921 7.399,922 0.917,923 54,924 13.348,926 5.572,927 0.026,929 7.764,931 25.449,933 20.315,936 2.264,937 81.5,941 353.133,942 172.066,943 37.921,945 83.29,948 172.066,949 436.423,950 37.921,951 17.222,952 36.524,953 85.286,954 83.98,955 70.458,956 11.577,957 341.362,959 353.133,960 209.987,961 83.29,964 306.049,965 130.374,968 57.521,969 135.68,970 16.786,972 353.133,973 121.21,974 172.066,977 353.133,978 60.511,979 114.68,980 18.011,981 100.075,982 353.133,983 121.21,984 172.066,986 0.565,987 0.319,988 0.175,989 0.096,990 22,991 10,992 0.171,993 12,994 2,995 1.2,996 4.875,997 316.861,998 0.2,999 20,1000 186.117,1005 25.834,1006 12.635,1007 7.146,1009 121.21,1010 17.842,1011 4.145,1015 3.987,1017 18.011,1018 646.409,1019 50,1024 24.514,1028 -0.525,1031 67.312,1032 75.355,1034 0.251,1035 0.592,1036 0.829,1037 0.932,1038 0.942,1039 0.942,1040 5.15,1041 1.832,1042 5.994,1043 5.693,1044 4.654,1045 5.147,1046 2.639,1047 6.758,1048 4.57,1049 6.32,1050 1.555,1051 7.517,1052 4.928,1053 4.111,1054 4.832,1055 1.847,1056 7.551,1057 3.998,1058 7.6,1059 1.452,1060 9.141,1061 3.384,1062 6.192,1063 7.248,1064 3.582,1065 10.672,1066 6.035,1067 8.915,1068 1.36,1069 10.828,1070 3.095,1071 6.479,1072 7.753,1073 3.603,1074 12.336,1075 6.312,1076 10.263,1077 1.255,1078 12.557,1079 3.015,1080 8.005,1081 9.648,1082 4.922,1083 14.978,1084 7.802,1085 11.636,1086 1.179,1087 14.317,1088 2.916,1089 8.712,1090 10.561,1091 5.291,1092 17.037,1093 8.512,1094 13.03,1095 0.853,1096 16.1,1097 2.591,1098 10.001,1099 12.219,1100 6.39,1101 19.517,1102 9.775,1103 3.215,1104 0.69,1105 17.902,1106 2.039,1107 10.928,1108 13.351,1109 6.93,1110 21.761,1111 10.706,1112 2.762,1113 11.061,1114 19.72,1115 1.17,1116 12.119,1117 14.89,1118 7.902,1119 24.186,1120 11.879,1121 2.643,1122 8.529,1123 21.552,1124 4.198,1125 13.158,1126 16.144,1127 8.539,1128 26.514,1129 12.919,1130 2.462,1131 8.002,1132 23.394,1133 3.688,1134 14.313,1135 17.622,1136 9.436,1137 28.922,1138 14.063,1139 2.272,1140 6.915,1141 25.247,1142 3.676,1143 15.409,1144 18.946,1145 10.13,1146 31.289,1147 15.156,1148 2.184,1149 6.849,1150 27.108,1151 2.964,1152 16.556,1153 20.393,1154 10.981,1155 33.692,1156 16.294,1157 2.009,1158 6.041,1159 28.977,1160 2.895,1161 17.681,1162 21.757,1163 11.71,1164 36.077,1165 17.413,1166 22825,1167 37277,1168 26.235,1169 43.949,1170 56.883,1171 59.226,1172 58.352,1173 56.337,1174 56.288,1175 71.455,1176 10.723,1177 154.4,1178 53.931,1179 5.488,1180 5.692,1181 6.684,1182 5.302,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.169,1188 17.036,1189 1.459,1190 1.519,1191 1.496,1192 1.445,1193 1.443,1194 1.832,1195 0.275,1196 3.959,1197 1.383,1198 4.039,1199 4.051,1200 4.008,1201 3.94,1202 7.435,1203 3.953,1204 3.939,1205 3.967,1206 3.878,1207 3.855,1208 7.427,1209 3.856,1210 3.764,1211 3.797,1212 3.703,1213 3.663,1214 5.008,1215 3.668,1216 3.709,1217 3.779,1218 3.572,1219 3.543,1220 4.815,1221 3.531,1222 3.654,1223 3.718,1224 3.518,1225 3.485,1226 4.769,1227 3.483,1228 3.421,1229 3.471,1230 3.306,1231 3.164,1232 4.399,1233 3.188,1234 3.345,1235 3.415,1236 3.225,1237 3.104,1238 4.305,1239 3.127,1240 3.174,1241 3.193,1242 3.074,1243 3.015,1244 4.22,1245 3.024,1246 0.117,1247 0.095,1248 0.174,1249 0.108,1250 0.082,1251 4.553,1252 0.108,1253 3.692,1254 0.056,1255 6.774,1256 0.284,1257 4.198,1258 0.081,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.169,1264 1.963,1265 1.954,1266 2.037,1267 2.079,1268 1.256,1269 2.061,1270 1.91,1271 1.885,1272 2.023,1273 2.024,1274 1.253,1275 2.027,1276 1.737,1277 1.707,1278 1.971,1279 1.907,1280 1.136,1281 1.926,1282 1.7,1283 1.63,1284 1.894,1285 1.876,1286 1.103,1287 1.885,1288 1.635,1289 1.569,1290 1.828,1291 1.809,1292 0.897,1293 1.819,1294 1.338,1295 1.276,1296 1.633,1297 1.624,1298 0.781,1299 1.619,1300 1.297,1301 1.223,1302 1.606,1303 1.566,1304 0.753,1305 1.586,1306 1.109,1307 1.088,1308 1.356,1309 1.306,1310 0.498,1311 1.299,1312 4.369,1314 5.659,1316 7.144,1318 8.731,1320 10.378,1322 4.107,1328 5.427,1329 2.75,1330 17.071,1333 2.182,1340 42.013,1341 101.877,1342 240.731,1343 336.879,1344 378.918,1345 382.918,1346 382.918,1347 73.924,1348 8.239,1349 93.9,1350 93.9,1351 24,1352 12.646,1353 4.392,1354 3.585,1355 62.838,1356 223,1357 236,1358 0.134,1359 257.945,1360 458.73,1361 621.146,1362 56791,1364 25.33,1365 0.704,1366 0.574,1367 25.33,1368 20.659,1369 17.529,1370 0.449,1371 0.313,1372 12.019,1373 16.773,1374 11.73,1375 9.798,1376 17.529,1377 12.208,1378 15.267,1379 0.294,1380 0.167,1381 15.267,1382 8.702,1383 12.296,1384 0.186,1385 0.087,1386 12.296,1387 5.734,1388 10.41,1389 0.121,1390 0.045,1391 10.41,1392 3.892,1393 8.219,1394 0.076,1395 0.023,1396 8.219,1397 2.506,1398 0.224,1399 110.476,1400 0.195,1401 34.229,1402 0.334,1403 182,1404 578.301,1405 203.908,1406 543.797,1407 738.35,1408 510,1409 209,1410 540.188,1411 230.276,1412 540.103,1413 790.87,1414 507,1415 8.051}
{0 CHEMBL130956,1 1.455,2 10.962,3 4.413,4 19.476,5 103.215,6 6.892,7 0.414,8 4.025,9 4.151,10 3.539,11 3.548,12 5.045,13 3.518,14 4.601,15 4.794,16 3.963,17 3.987,18 5.596,19 3.942,20 4.849,21 5.032,22 4.03,23 4.19,24 5.781,25 4.107,26 5.062,27 5.322,28 3.919,29 4.203,30 5.932,31 4.074,32 4.964,33 5.215,34 3.731,35 4.037,36 5.907,37 3.891,38 4.83,39 5.13,40 3.517,41 3.77,42 5.673,43 3.635,44 4.394,45 4.609,46 3.495,47 3.567,48 5.452,49 3.496,50 4.384,51 4.585,52 3.38,53 3.509,54 5.541,55 3.449,56 0.032,57 0.747,58 11.558,59 4.727,60 8.592,61 6.551,62 0.396,63 1.247,64 22.182,65 7.844,66 33.129,67 11.306,68 0.178,69 1.562,70 27.984,71 10.637,72 26.575,73 15.003,74 0.332,75 1.754,76 36.628,77 12.422,78 43.752,79 18.353,80 0.331,81 1.481,82 33.495,83 11.964,84 52.016,85 16.94,86 0.463,87 1.183,88 30.86,89 9.799,90 49.194,91 14.102,92 0.243,93 0.867,94 18.724,95 6.578,96 28.331,97 9.027,98 0.443,99 0.841,100 19.282,101 5.589,102 51.124,103 7.488,104 26,105 44,106 0.245,107 0.577,108 0.773,109 0.845,110 0.854,111 0.854,112 3.304,113 0.933,114 -4.53,115 -4.46,116 -4.2,121 41.2,122 2,123 1,125 1,126 2,127 1,130 1,144 7,145 2,146 3,161 1,176 10,179 2,180 7,183 2,185 2,187 12,192 8,197 2,200 9,206 9,211 3,214 3,218 1,219 9,224 3,227 2,231 1,232 3,237 1,239 4,243 1,244 4,247 1,249 2,251 8,255 1,259 1,264 8,269 2,277 10,281 940,282 17.134,283 17.134,284 17.134,285 17.134,286 17.134,287 15.542,288 27.222,289 9.672,290 17.498,291 14.266,292 14.266,293 14.266,294 14.266,295 14.266,296 11.82,297 37.959,298 4.582,299 14.85,300 4.217,301 2.251,302 1.087,303 0.662,304 0.608,305 0.608,306 3.995,311 1,312 1,313 627,314 3.464,317 101.479,318 141.221,320 81.891,321 86.944,324 121.575,325 1.586,326 18.003,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 55.5,338 285,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 4.061,349 3.675,350 6.211,351 3.687,352 2.734,353 3.63,354 0.966,355 8.83,356 2.615,357 3.956,358 2.827,359 6.169,360 3.591,361 2.616,362 3.315,363 0.693,364 8.459,365 2.543,366 3.678,367 2.744,368 5.575,369 3.386,370 2.443,371 2.921,372 0.366,373 7.612,374 2.292,375 3.5,376 2.698,377 5.347,378 3.296,379 2.35,380 2.721,382 6.914,383 2.213,384 3.377,385 2.504,386 4.962,387 3.082,388 2.121,389 2.489,391 5.871,392 2.025,393 3.189,394 2.246,395 4.774,396 2.77,397 1.787,398 2.352,400 4.896,401 1.739,402 2.615,403 1.746,404 4.548,405 2.412,406 1.462,407 1.629,409 4.313,410 1.382,411 2.518,412 1.171,413 4.213,414 2.128,415 1.133,416 1.522,418 3.06,419 1.126,420 2.5,421 1,422 3.722,423 2,424 1,425 1.5,427 2.275,428 1,429 1.785,430 0.936,431 3.414,432 1.695,433 0.73,434 0.761,436 1.825,437 0.702,438 1.416,439 0.771,440 3.088,441 1.132,442 0.186,443 0.216,445 0.464,446 0.174,447 1.228,448 0.532,449 3.002,450 0.857,451 -0.107,452 -0.131,454 -0.262,455 -0.102,456 0.762,457 -0.008,458 2.622,459 0.64,460 -0.301,461 -0.311,463 -0.744,464 -0.281,465 0.727,466 -0.046,467 2.427,468 0.36,469 -0.612,470 -0.717,472 -1.574,473 -0.585,474 12.367,475 0.476,476 0.877,477 0.034,478 32.25,479 1.24,480 15,481 0.577,482 17.25,483 0.663,484 23.399,485 0.9,486 28.433,487 0.558,488 23.469,489 0.903,490 6.188,491 0.238,492 6.192,493 0.238,494 0.189,495 0.04,496 0.348,501 0.812,502 1.438,503 0.842,504 1.17,505 0.64,506 1.03,507 0.706,508 0.871,509 0.783,510 0.771,511 0.386,512 0.769,513 1.02,514 1.385,515 1.115,516 1.27,517 0.748,518 1.215,519 0.98,520 0.992,521 1.043,522 1.021,523 0.658,524 1.021,525 1.136,526 1.154,527 1.092,528 1.217,529 1.314,530 1.168,531 1.445,532 0.617,533 0.808,534 0.627,535 1.311,536 0.644,537 1.376,538 1.057,539 0.933,540 1.041,541 1.398,542 0.962,543 2.637,544 0.753,545 1.397,546 0.746,547 3.544,548 0.904,549 7,550 0.142,551 4,552 3.521,553 1.588,554 0.819,555 0.612,556 0.293,557 0.324,558 0.222,559 8180,560 17506,561 2.069,562 49,563 6,564 15,565 1,567 1,569 2,572 1.688,573 1.891,574 3.364,575 -0.37,577 1,582 74.204,583 1.455,584 3.422,585 4.586,586 5.01,587 5.064,588 5.064,589 2.844,590 4.393,591 4.672,592 3.539,593 1150.28,594 8.078,595 14192.9,597 1,599 1,600 289.294,601 1.693,602 4.603,603 0.241,604 0.007,605 0.091,606 0.078,607 0.042,608 0.028,609 0.024,610 0.012,611 0.015,612 0.011,613 0.55,614 0.5,615 1,616 0.638,617 127.062,618 -0.003,619 -0.221,620 0.075,621 -0.08,622 -0.055,623 -0.007,624 0.288,625 0.283,626 0.187,627 0.23,628 0.257,629 0.205,630 -0.097,631 -0.282,632 -0.169,633 -0.235,634 -0.042,635 -0.218,636 -0.077,637 0.015,638 -0.065,639 -0.064,640 0.078,641 -0.054,642 0.007,643 -0.231,644 -0.098,645 -0.236,646 -0.03,647 -0.19,648 -0.025,649 0.217,650 0.245,651 0.294,652 -0.05,653 0.303,654 0.085,655 -0.087,656 0.089,657 -0.054,658 0.071,659 0.001,660 -0.386,661 0.256,662 -0.289,663 0.167,664 -0.489,665 -0.026,666 2.134,667 5.239,668 0.692,669 22.254,670 0.994,671 1.127,672 3.302,673 10.901,674 0.653,675 3.401,676 3.807,677 4.127,678 4.466,679 4.673,680 4.736,681 4.913,682 4.97,683 4.977,684 5.03,685 6.31,686 0.614,687 351.49,688 3.401,689 4.99,690 5.878,691 6.808,692 7.719,693 8.658,694 9.583,695 10.528,696 11.464,697 12.414,698 5.9,701 1,704 1,705 1,715 7,720 5,722 12,736 1,737 1,741 51,743 13,744 2,745 29,747 54,748 21,749 12,750 5,751 7,756 4,757 7,763 2,764 1,766 1,767 1,770 1,772 13,773 8,777 1,782 1,786 1,790 1,793 25,794 5,795 1,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 4,868 26,876 2,877 1,878 1,880 1,881 2,882 1,893 3.9,896 1,898 1,901 13.75,902 10.4,903 5.486,904 3.017,907 2.147,908 1.281,909 0.967,910 4.204,911 9.793,912 3.611,913 4.205,914 4.723,915 5.277,916 5.771,917 5.919,918 6.253,919 6.492,920 6.612,921 6.817,922 1,923 45,924 9.637,926 4.143,927 0.026,929 7.599,931 18.778,933 15.977,936 2.099,937 54.583,939 1,940 1,941 282.506,942 129.308,943 24.259,945 36.145,948 129.308,949 318.651,950 24.259,951 34.443,952 22.651,953 66.334,954 25.145,955 34.377,956 18.534,957 270.735,959 282.506,960 153.567,961 36.145,964 258.964,965 59.687,968 43.426,969 110.141,972 282.506,973 60.404,974 129.308,977 282.506,978 28.531,979 107.026,980 18.011,981 36.145,982 282.506,983 60.404,984 129.308,986 0.604,987 0.359,988 0.199,989 0.107,990 24,991 11,992 0.056,993 3,994 2,995 1.222,996 3.733,997 228.774,998 0.222,999 18,1000 118.211,1005 17.379,1006 6.289,1007 2.908,1009 60.404,1010 13.606,1015 4.936,1017 18.011,1018 472.218,1019 36,1024 12.239,1028 -0.467,1031 50.68,1032 57.481,1034 0.256,1035 0.603,1036 0.808,1037 0.883,1038 0.893,1039 0.893,1040 4.913,1041 1.462,1042 5.932,1043 4.896,1044 4.489,1045 4.89,1046 2.466,1047 6.87,1048 4.414,1049 6.141,1050 1.133,1051 7.578,1052 4.313,1053 4.369,1054 4.808,1055 1.905,1056 8.236,1057 4.268,1058 7.482,1059 1,1060 9.341,1061 3.06,1062 6.24,1063 7.02,1064 3.531,1065 11.402,1066 6.104,1067 8.857,1068 0.73,1069 11.181,1070 2.275,1071 6.938,1072 7.672,1073 3.612,1074 13.688,1075 6.788,1076 10.267,1077 0.186,1078 13.076,1079 1.825,1080 8.38,1081 9.445,1082 4.913,1083 16.515,1084 8.206,1085 11.703,1086 -0.107,1087 15.013,1088 0.464,1089 9.443,1090 10.446,1091 5.293,1092 19.117,1093 9.258,1094 13.162,1095 -0.301,1096 16.984,1097 -0.262,1098 10.768,1099 12.039,1100 6.388,1101 21.868,1102 10.563,1103 3.737,1104 -0.612,1105 18.981,1106 -0.744,1107 11.983,1108 13.226,1109 6.931,1110 24.561,1111 11.766,1112 2.734,1113 15.306,1114 20.998,1115 -1.574,1116 13.287,1117 14.733,1118 7.902,1119 27.295,1120 13.051,1121 2.616,1122 8.83,1123 23.03,1124 4.206,1125 14.563,1126 16.024,1127 8.539,1128 30.013,1129 14.311,1130 2.443,1131 8.459,1132 25.074,1133 3.63,1134 15.869,1135 17.489,1136 9.436,1137 32.743,1138 15.598,1139 2.35,1140 7.612,1141 27.127,1142 3.315,1143 17.169,1144 18.841,1145 10.13,1146 35.468,1147 16.879,1148 2.121,1149 6.914,1150 29.187,1151 2.921,1152 18.48,1153 20.285,1154 10.981,1155 38.197,1156 18.17,1157 1.787,1158 5.871,1159 31.251,1160 2.721,1161 19.79,1162 21.671,1163 11.71,1164 40.924,1165 19.46,1166 7773,1167 11515,1168 18.898,1169 33.302,1170 45.065,1171 45.865,1172 47.231,1173 44.612,1174 44.599,1175 54.525,1176 8.422,1177 139.652,1178 42.934,1179 5.797,1180 5.973,1181 7.42,1182 5.804,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 14.439,1189 1.554,1190 1.582,1191 1.629,1192 1.538,1193 1.538,1194 1.88,1195 0.29,1196 4.816,1197 1.48,1198 4.093,1199 4.13,1200 4.04,1201 3.996,1202 7.435,1203 4.002,1204 3.924,1205 3.958,1206 3.86,1207 3.854,1208 4.844,1209 3.85,1210 3.7,1211 3.742,1212 3.617,1213 3.563,1214 4.745,1215 3.567,1216 3.424,1217 3.465,1218 3.358,1219 3.159,1220 4.446,1221 3.196,1222 3.281,1223 3.375,1224 3.112,1225 3.062,1226 4.149,1227 3.06,1228 3.239,1229 3.333,1230 3.042,1231 3.038,1232 3.983,1233 3.026,1234 3.081,1235 3.139,1236 2.912,1237 2.838,1238 3.897,1239 2.86,1240 2.976,1241 3.093,1242 2.687,1243 2.761,1244 3.825,1245 2.725,1246 0.167,1247 0.137,1248 0.276,1249 0.163,1250 0.129,1251 4.832,1252 0.145,1253 3.973,1254 0.075,1255 8.006,1256 0.528,1257 4.714,1258 0.126,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.918,1265 1.893,1266 2.037,1267 2.021,1268 1.31,1269 2.024,1270 1.897,1271 1.874,1272 2.003,1273 1.979,1274 1.13,1275 1.988,1276 1.633,1277 1.577,1278 1.832,1279 1.836,1280 1.057,1281 1.837,1282 1.534,1283 1.453,1284 1.787,1285 1.755,1286 1.012,1287 1.775,1288 1.304,1289 1.255,1290 1.583,1291 1.596,1292 0.645,1293 1.573,1294 1.218,1295 1.126,1296 1.553,1297 1.472,1298 0.618,1299 1.507,1300 1.016,1301 0.963,1302 1.453,1303 1.311,1304 0.563,1305 1.354,1306 1.008,1307 0.899,1308 1.217,1309 1.29,1310 0.347,1311 1.308,1312 4.078,1314 5.46,1315 3.045,1316 7.033,1317 5.638,1318 8.7,1319 7.921,1320 10.426,1322 8.629,1328 2.175,1329 2.777,1330 5.547,1332 0.356,1333 4.725,1334 0.061,1340 31.289,1341 74.204,1342 174.504,1343 233.868,1344 255.519,1345 258.274,1346 258.274,1347 38.347,1348 7.645,1349 44.81,1350 44.81,1351 22,1352 12.906,1353 3.807,1354 3,1355 38.266,1356 99,1357 110,1358 0.192,1359 190.52,1360 332.72,1361 456.628,1362 21498,1364 18.474,1365 0.711,1366 0.606,1367 18.474,1368 15.744,1369 12.381,1370 0.427,1371 0.311,1372 8.891,1373 11.926,1374 8.505,1375 7.108,1376 12.381,1377 9.015,1378 12.059,1379 0.274,1380 0.175,1381 12.059,1382 7.692,1383 10.221,1384 0.168,1385 0.095,1386 10.221,1387 5.81,1388 9.034,1389 0.105,1390 0.052,1391 9.034,1392 4.506,1393 7.133,1394 0.067,1395 0.029,1396 7.133,1397 3.031,1398 0.302,1399 77.369,1400 0.23,1401 25.049,1402 0.523,1403 146,1404 367.094,1405 159.359,1406 356.408,1407 497.19,1408 334,1409 178,1410 379.092,1411 191.642,1412 387.269,1413 570.79,1414 361,1415 6.854}
{0 CHEMBL131051,1 1.975,2 11.536,3 6.182,4 38.215,5 98.983,6 9.499,7 0.567,8 3.897,9 3.993,10 3.69,11 3.425,12 5.163,13 3.436,14 4.42,15 4.556,16 4.137,17 3.741,18 6.217,19 3.754,20 4.462,21 4.61,22 4.058,23 3.83,24 5.753,25 3.82,26 4.609,27 4.784,28 4.115,29 3.807,30 6.021,31 3.83,32 4.647,33 4.847,34 4.066,35 3.831,36 6.035,37 3.816,38 4.543,39 4.722,40 3.951,41 3.793,42 5.889,43 3.733,44 4.367,45 4.523,46 3.82,47 3.736,48 5.61,49 3.657,50 4.469,51 4.687,52 3.769,53 3.667,54 5.84,55 3.58,56 0.237,57 0.87,58 5.177,59 4.001,60 27.937,61 3.823,62 1.258,63 1.574,64 17.538,65 6.402,66 149.244,67 6.518,68 0.535,69 1.275,70 13.199,71 6.724,72 50.234,73 7.299,74 0.794,75 1.455,76 17.831,77 6.649,78 68.863,79 6.621,80 0.947,81 1.575,82 21.095,83 7.947,84 108.301,85 7.609,86 0.919,87 1.343,88 24.66,89 8.279,90 114.552,91 7.156,92 0.517,93 1.133,94 17.041,95 7.279,96 54.765,97 7.142,98 0.781,99 1.216,100 21.135,101 7.57,102 81.139,103 9.141,104 42,105 43,106 0.342,107 0.629,108 0.725,109 0.808,110 0.819,111 0.819,112 3.374,113 0.921,114 -5.57,115 -5.44,116 -5.08,121 41.9,126 2,135 1,144 9,145 1,146 2,151 1,161 1,164 1,168 1,176 8,179 5,180 8,187 8,191 2,192 10,200 4,205 2,206 14,214 1,219 10,227 2,231 2,232 10,239 4,243 1,244 7,251 4,256 2,264 7,268 2,277 9,281 1232,282 18.317,283 18.317,284 18.317,285 18.317,286 18.317,287 16.269,288 16.704,289 10.614,290 19.286,291 14.733,292 14.733,293 14.733,294 14.733,295 14.733,296 11.539,297 18.868,298 4.968,299 16.285,300 3.452,301 1.798,302 1.245,303 0.768,304 0.704,305 0.704,306 4.049,312 1,313 675,314 4.123,317 87.034,318 206.494,325 1.931,326 43.049,329 0.75,330 1,331 1,332 0.4,334 1,335 1,336 0.74,337 64.5,338 323,339 4.514,340 4.437,341 6.71,342 4.114,343 3.184,344 4.189,345 4.032,346 10.792,347 2.968,348 4.219,349 4.378,350 6.455,351 3.906,352 3.136,353 3.698,354 2.95,355 10.196,356 2.75,357 4.121,358 3.74,359 6.219,360 3.795,361 2.852,362 3.533,363 1.678,364 9.219,365 2.48,366 3.925,367 2.922,368 5.916,369 3.513,370 2.572,371 3.187,372 0.527,373 8.18,374 2.332,375 3.583,376 2.738,377 5.217,378 3.164,379 2.225,380 2.877,381 0.394,382 6.579,383 2.035,384 3.363,385 2.611,386 5.072,387 2.929,388 1.993,389 2.603,391 5.647,392 1.84,393 2.911,394 2.412,395 4.286,396 2.462,397 1.509,398 2.055,400 3.817,401 1.43,402 2.744,403 1.742,404 4.23,405 2.249,406 1.337,407 1.835,409 3.57,410 1.197,411 2.5,412 1.678,413 3.604,414 2,415 1,416 1.5,418 2.569,419 1,420 2.5,421 1.269,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.391,430 1.03,431 3.247,432 1.937,433 0.986,434 1.329,436 2.136,437 0.931,438 1.855,439 1,440 3.136,441 1.39,442 0.373,443 0.514,445 0.884,446 0.371,447 1.497,448 1,449 3.087,450 1.112,451 0.323,452 0.368,454 0.488,455 0.251,456 1.249,457 0.557,458 2.687,459 0.887,460 0.005,461 0.005,463 0.012,464 0.004,465 0.651,466 0.51,467 2.486,468 0.225,469 -0.75,470 -0.933,472 -1.609,473 -0.694,474 12.957,475 0.463,476 0.891,477 0.032,478 37.5,479 1.339,480 19,481 0.679,482 18.5,483 0.661,484 21.313,485 0.761,486 30.843,487 0.717,488 31.048,489 1.109,490 7.59,491 0.271,492 5.691,493 0.203,494 0.169,495 0.039,496 0.293,500 3,501 0.618,502 1.035,503 0.62,504 1.01,505 0.603,506 0.917,507 0.243,508 0.635,509 0.85,510 0.976,511 0.277,512 0.852,513 0.576,514 0.884,515 0.692,516 1.002,517 0.458,518 1.01,519 0.921,520 0.952,521 0.845,522 0.922,523 0.8,524 0.948,525 1.156,526 1.004,527 1.006,528 0.831,529 1.103,530 0.908,531 1.155,532 0.849,533 1.595,534 1.093,535 1.164,536 1.021,537 0.655,538 0.837,539 1.365,540 1.312,541 0.626,542 1.258,543 0.432,544 0.56,545 0.925,546 1.03,547 0.503,548 1.114,549 7,550 0.182,551 3.333,552 2.257,553 1.913,554 1.136,555 0.623,556 0.522,557 0.297,558 0.245,559 9447,560 38649,561 1.984,562 34.9,564 15,572 1.71,573 1.816,574 3.486,575 -0.636,582 84.912,583 1.975,584 3.628,585 4.181,586 4.658,587 4.722,588 4.722,589 2.972,590 4.012,591 4.774,592 3.679,593 1390.52,594 8.302,595 18481.3,600 233.329,601 1.678,602 4.706,603 0.233,604 0.01,605 0.078,606 0.054,607 0.046,608 0.029,609 0.018,610 0.017,611 0.011,612 0.011,613 0.505,614 0.17,615 0.88,616 1.092,617 141.291,618 -0.031,619 -0.131,620 0.048,621 -0.069,622 -0.107,623 -0.047,624 0.676,625 0.387,626 0.105,627 0.043,628 0.543,629 0.036,630 0.003,631 -0.153,632 0.073,633 -0.105,634 0.031,635 -0.071,636 -0.153,637 -0.168,638 -0.024,639 -0.086,640 -0.05,641 -0.065,642 -0.245,643 -0.06,644 -0.058,645 0.091,646 -0.14,647 0.039,648 -0.256,649 0.072,650 -0.36,651 0.065,652 -0.206,653 -0.041,654 -0.069,655 -0.082,656 -0.285,657 -0.188,658 -0.06,659 -0.247,660 0.256,661 0.198,662 0.086,663 -0.048,664 0.152,665 -0.034,666 6.012,667 5.808,668 0.607,669 29.429,670 1.043,671 1.146,672 4.338,673 18.822,674 0.691,675 3.434,676 3.784,677 3.989,678 4.234,679 4.407,680 4.466,681 4.585,682 4.673,683 4.71,684 4.796,685 6.849,686 0.687,687 408.44,688 3.434,689 4.99,690 5.826,691 6.715,692 7.571,693 8.463,694 9.329,695 10.222,696 11.094,697 11.988,698 9.3,705 1,706 1,708 2,715 9,716 2,720 5,721 1,722 17,739 1,741 43,743 18,744 2,745 30,747 45,748 18,749 14,750 3,751 9,752 1,756 3,757 3,761 1,772 15,773 3,777 1,782 1,786 1,791 3,793 15,794 8,796 10,797 1,802 4,808 1,809 2,828 1,829 2,859 3,860 1,862 1,864 2,866 3,868 28,878 1,879 1,881 1,882 1,890 1,892 3,893 4.7,896 1,898 1,901 15.417,902 8.479,903 6.097,904 2.26,907 2.898,908 1.402,909 0.968,910 5.967,911 10.099,912 3.701,913 4.294,914 4.835,915 5.396,916 5.856,917 6.098,918 6.464,919 6.826,920 7.156,921 7.438,922 0.875,923 42,924 10.888,926 5.042,927 0.026,929 8.342,931 18.601,933 14.555,936 2.842,937 79.583,941 176.567,942 161.392,943 38.349,945 36.145,946 44.88,947 32.22,948 129.173,949 212.711,950 83.23,951 15.587,952 3.124,953 85.286,954 58.593,955 71.864,956 4.276,957 208.786,958 9.817,959 176.567,960 167.522,961 81.025,962 32.22,964 178.894,965 36.145,966 44.88,967 9.817,968 5.594,969 116.335,970 33.449,971 32.22,972 221.447,973 74.494,974 161.392,977 186.384,978 50.702,979 105.774,981 114.474,982 176.567,983 119.375,984 161.392,986 0.589,987 0.326,988 0.174,989 0.093,990 20,991 10,992 0.089,993 4,995 1,996 3.869,997 236.457,999 17,1000 121.851,1001 1,1005 20.246,1006 8.253,1007 4.875,1009 117.598,1010 14.168,1011 8.537,1015 1.376,1016 1.16,1018 457.334,1019 39.5,1024 12.808,1028 -0.411,1031 44.862,1032 49.258,1034 0.364,1035 0.669,1036 0.771,1037 0.858,1038 0.87,1039 0.87,1040 4.951,1041 1.337,1042 5.861,1043 3.817,1044 4.466,1045 4.98,1046 3.839,1047 6.703,1048 4.293,1049 6.181,1050 1,1051 7.449,1052 3.57,1053 4.29,1054 4.82,1055 4.088,1056 7.828,1057 3.905,1058 7.502,1059 1,1060 9.142,1061 2.569,1062 6.146,1063 7.147,1064 6.091,1065 10.812,1066 5.778,1067 8.857,1068 0.986,1069 10.894,1070 2.275,1071 6.735,1072 7.746,1073 6.962,1074 12.667,1075 6.157,1076 10.24,1077 0.373,1078 12.68,1079 2.136,1080 8.128,1081 9.584,1082 8.644,1083 15.234,1084 7.549,1085 11.641,1086 0.323,1087 14.489,1088 0.884,1089 9.026,1090 10.544,1091 9.759,1092 17.364,1093 8.271,1094 13.058,1095 0.005,1096 16.313,1097 0.488,1098 10.255,1099 12.164,1100 11.308,1101 19.794,1102 9.47,1103 3.184,1104 -0.75,1105 18.148,1106 0.012,1107 11.286,1108 13.321,1109 12.549,1110 22.041,1111 10.359,1112 3.136,1113 10.792,1114 19.991,1115 -1.609,1116 12.454,1117 14.834,1118 14.028,1119 24.42,1120 11.475,1121 2.852,1122 10.196,1123 21.841,1124 4.189,1125 13.545,1126 16.102,1127 15.337,1128 26.721,1129 12.449,1130 2.572,1131 9.219,1132 23.696,1133 3.698,1134 14.691,1135 17.563,1136 16.778,1137 29.082,1138 13.531,1139 2.225,1140 8.18,1141 25.555,1142 3.533,1143 15.809,1144 18.894,1145 18.126,1146 31.41,1147 14.549,1148 1.993,1149 6.579,1150 27.417,1151 3.187,1152 16.95,1153 20.33,1154 19.545,1155 33.767,1156 15.618,1157 1.509,1158 5.647,1159 29.283,1160 2.877,1161 18.08,1162 21.7,1163 20.915,1164 36.108,1165 16.66,1166 9357,1167 19216,1168 19.186,1169 29.722,1170 46.015,1171 47.956,1172 46.654,1173 45.308,1174 44.986,1175 58.386,1176 19.162,1177 132.726,1178 41.178,1179 5.355,1180 6.437,1181 6.512,1182 5.18,1183 5.184,1184 7.189,1185 6.982,1186 18.194,1187 4.968,1188 16.939,1189 1.534,1190 1.599,1191 1.555,1192 1.51,1193 1.5,1194 1.946,1195 0.639,1196 4.424,1197 1.373,1198 4.021,1199 4.063,1200 4.086,1201 3.894,1202 8.516,1203 3.903,1204 3.898,1205 3.929,1206 3.838,1207 3.823,1208 7.999,1209 3.821,1210 3.757,1211 3.796,1212 3.812,1213 3.587,1214 7.999,1215 3.592,1216 3.422,1217 3.463,1218 3.488,1219 3.172,1220 7.429,1221 3.173,1222 3.349,1223 3.407,1224 3.423,1225 3.076,1226 5.023,1227 3.075,1228 3.152,1229 3.238,1230 3.198,1231 2.896,1232 4.756,1233 2.933,1234 2.905,1235 2.95,1236 2.795,1237 2.735,1238 4.729,1239 2.715,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 4.084,1245 2.715,1246 0.15,1247 0.148,1248 0.224,1249 0.137,1250 0.106,1251 4.514,1252 0.14,1253 4.437,1254 0.134,1255 6.71,1256 0.36,1257 4.114,1258 0.099,1259 3.184,1260 4.189,1261 4.032,1262 10.792,1263 2.968,1264 1.897,1265 1.872,1266 2.017,1267 2.015,1268 1.085,1269 2.013,1270 1.89,1271 1.863,1272 1.986,1273 1.985,1274 1.079,1275 1.984,1276 1.504,1277 1.46,1278 1.654,1279 1.765,1280 0.734,1281 1.73,1282 1.305,1283 1.253,1284 1.537,1285 1.564,1286 0.676,1287 1.552,1288 1.189,1289 1.144,1290 1.295,1291 1.494,1292 0.316,1293 1.445,1294 1.046,1295 0.958,1296 1.222,1297 1.384,1298 0.271,1299 1.371,1300 0.934,1301 0.89,1302 1.181,1303 1.275,1304 0.218,1305 1.227,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 4.111,1314 5.451,1315 2.398,1316 6.969,1317 4.727,1318 8.56,1319 6.843,1320 10.189,1322 3.368,1324 36.829,1330 3.85,1331 1.231,1333 1.429,1334 -4.762,1340 29.54,1341 84.912,1342 156.006,1343 179.781,1344 200.31,1345 203.065,1346 203.065,1347 62.242,1348 7.201,1349 60.25,1350 85.55,1351 17,1352 12.518,1353 4.248,1354 3.392,1355 49.754,1356 115,1357 106,1358 0.215,1359 184.801,1360 324.72,1361 442.674,1362 12105,1363 7,1364 20.311,1365 0.725,1366 0.559,1367 18.165,1368 15.66,1369 13.281,1370 0.443,1371 0.307,1372 7.895,1373 12.027,1374 7.603,1375 6.328,1376 12.692,1377 9.211,1378 12.726,1379 0.296,1380 0.148,1381 10.835,1382 6.357,1383 9.668,1384 0.182,1385 0.082,1386 9.841,1387 4.347,1388 7.909,1389 0.116,1390 0.042,1391 7.744,1392 2.856,1393 6.095,1394 0.075,1395 0.023,1396 6.088,1397 1.871,1398 0.338,1399 90.828,1400 0.228,1401 26.858,1402 0.585,1403 146,1404 685.245,1405 200.865,1406 594.19,1407 777.33,1408 550,1409 169,1410 542.48,1411 210.261,1412 536.756,1413 807.83,1414 498,1415 4.301}
{0 CHEMBL131210,1 1.436,2 10.444,3 4.899,4 24.004,5 108.256,6 6.769,7 0.4,8 4.075,9 4.203,10 3.573,11 3.597,12 5.083,13 3.563,14 4.656,15 4.854,16 4.002,17 4.038,18 5.634,19 3.989,20 4.894,21 5.072,22 4.074,23 4.249,24 5.824,25 4.162,26 5.13,27 5.394,28 4.004,29 4.274,30 5.986,31 4.146,32 5.032,33 5.269,34 3.787,35 4.135,36 5.977,37 3.985,38 4.987,39 5.306,40 3.636,41 3.877,42 5.815,43 3.726,44 4.505,45 4.7,46 3.509,47 3.6,48 5.631,49 3.546,50 4.362,51 4.563,52 3.464,53 3.597,54 5.469,55 3.53,56 0.039,57 0.786,58 12.459,59 5.066,60 9.193,61 7.086,62 0.41,63 1.309,64 23.755,65 8.421,66 34.158,67 12.227,68 0.184,69 1.643,70 29.546,71 11.31,72 27.321,73 16.029,74 0.338,75 1.873,76 39.218,77 13.396,78 44.155,79 19.924,80 0.372,81 1.627,82 35.629,83 12.485,84 51.065,85 17.82,86 0.431,87 1.339,88 35.668,89 11.762,90 54.223,91 17.119,92 0.467,93 0.898,94 21.949,95 6.705,96 51.426,97 8.758,98 0.338,99 0.879,100 18.356,101 5.902,102 37.662,103 8.208,104 37,105 46,106 0.239,107 0.563,108 0.77,109 0.83,110 0.83,111 0.83,112 3.34,113 0.943,114 -4.75,115 -4.66,116 -4.38,121 40.7,122 3,123 1,125 1,126 2,127 1,130 1,144 6,145 3,146 3,161 1,176 11,179 2,180 7,183 2,185 2,187 14,192 8,197 2,200 9,206 9,211 5,214 6,218 1,219 9,224 2,227 2,231 1,232 7,237 1,239 4,243 1,244 2,247 1,249 2,251 8,255 1,259 1,264 12,269 2,277 12,281 1029,282 17.582,283 17.582,284 17.582,285 17.582,286 17.582,287 15.965,288 29.648,289 9.882,290 17.945,291 14.783,292 14.783,293 14.783,294 14.783,295 14.783,296 12.242,297 44.735,298 4.694,299 15.364,300 4.319,301 2.374,302 1.135,303 0.774,304 0.774,305 0.774,306 4.028,311 1,312 1,313 615,314 3.536,317 106.471,318 147.544,320 85.903,321 90.871,324 127.187,325 1.58,326 18.699,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 57.5,338 282,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 4.18,349 3.676,350 6.211,351 3.786,352 2.809,353 3.818,354 0.966,355 8.83,356 2.752,357 3.976,358 2.893,359 6.169,360 3.628,361 2.667,362 3.318,363 0.693,364 8.461,365 2.556,366 3.688,367 2.814,368 5.717,369 3.397,370 2.454,371 2.913,372 0.366,373 8.081,374 2.298,375 3.492,376 2.742,377 5.431,378 3.307,379 2.368,380 2.681,382 7.143,383 2.213,384 3.351,385 2.507,386 5.01,387 3.05,388 2.094,389 2.481,391 5.986,392 1.99,393 3.232,394 2.147,395 4.765,396 2.879,397 1.879,398 2.462,400 4.963,401 1.879,402 3.119,403 2.135,404 4.618,405 2.696,406 1.716,407 2.285,409 4.769,410 1.668,411 2.615,412 1.746,413 4.504,414 2.409,415 1.457,416 1.629,418 4.287,419 1.379,420 2.518,421 1.171,422 4.213,423 2.127,424 1.133,425 1.521,427 3.06,428 1.126,429 1.785,430 0.933,431 3.722,432 1.694,433 0.729,434 0.76,436 1.823,437 0.702,438 1.254,439 0.741,440 3.089,441 0.965,442 0.052,443 0.059,445 0.147,446 0.047,447 1.179,448 0.357,449 3.019,450 0.754,451 -0.237,452 -0.276,454 -0.63,455 -0.23,456 1,457 -0.017,458 2.648,459 0.653,460 -0.31,461 -0.357,463 -0.766,464 -0.293,465 0.762,466 -0.11,467 2.481,468 0.637,469 -0.347,470 -0.445,472 -0.891,473 -0.347,474 12.867,475 0.477,476 0.983,477 0.036,478 32.75,479 1.213,480 15,481 0.556,482 17.75,483 0.657,484 25.911,485 0.96,486 29.733,487 0.551,488 24.24,489 0.898,490 6.229,491 0.231,492 6.546,493 0.242,494 0.22,495 0.039,496 0.373,501 0.812,502 1.441,503 0.864,504 1.184,505 0.658,506 1.049,507 0.697,508 0.847,509 0.759,510 0.747,511 0.368,512 0.744,513 1.028,514 1.419,515 1.15,516 1.31,517 0.79,518 1.255,519 0.938,520 1.003,521 0.978,522 0.992,523 0.601,524 0.977,525 1.276,526 1.219,527 1.271,528 1.31,529 1.443,530 1.295,531 1.134,532 0.641,533 0.623,534 0.649,535 0.998,536 0.594,537 2.858,538 0.841,539 1.3,540 0.807,541 3.191,542 0.891,543 1.934,544 0.834,545 1.214,546 0.829,547 2.694,548 0.923,549 8,550 0.225,551 3.778,552 4.208,553 1.619,554 0.986,555 0.531,556 0.394,557 0.324,558 0.211,559 8901,560 18513,561 2.044,562 50,563 9,564 14,565 1,567 1,569 2,572 1.698,573 1.851,574 3.321,575 -0.382,582 77.52,583 1.436,584 3.381,585 4.62,586 4.981,587 4.981,588 4.981,589 2.732,590 4.282,591 4.73,592 3.531,593 1239.45,594 8.194,595 15831.8,597 1,600 310.764,601 1.72,602 4.648,603 0.267,604 0.011,605 0.082,606 0.09,607 0.039,608 0.033,609 0.019,610 0.016,611 0.013,612 0.009,613 0.577,614 0.5,615 1,616 0.658,617 133.556,618 0.003,619 -0.213,620 0.075,621 -0.076,622 -0.063,623 -0.006,624 0.3,625 0.306,626 0.224,627 0.263,628 0.278,629 0.242,630 -0.1,631 -0.296,632 -0.194,633 -0.257,634 -0.074,635 -0.243,636 -0.044,637 0.003,638 0.001,639 -0.03,640 0.124,641 -0.005,642 -0.076,643 -0.238,644 -0.275,645 -0.332,646 -0.149,647 -0.327,648 0.126,649 0.156,650 0.406,651 0.271,652 0.153,653 0.36,654 -0.324,655 0.099,656 -0.168,657 0.135,658 -0.38,659 0.006,660 -0.195,661 0.233,662 -0.158,663 0.132,664 -0.269,665 0.007,666 2.128,667 5.377,668 0.667,669 22.642,670 0.992,671 1.128,672 3.52,673 12.394,674 0.649,675 3.434,676 3.85,677 4.159,678 4.522,679 4.691,680 4.796,681 4.913,682 5.011,683 4.99,684 5.069,685 6.398,686 0.608,687 365.52,688 3.434,689 5.03,690 5.916,691 6.853,692 7.76,693 8.704,694 9.624,695 10.573,696 11.503,697 12.455,698 5.6,701 1,704 1,705 1,715 6,720 6,722 12,736 1,737 1,741 54,743 13,744 2,745 30,747 57,748 22,749 12,750 6,751 6,756 4,757 7,763 3,764 1,766 1,767 1,770 1,772 13,773 9,777 1,782 1,786 1,793 27,794 5,795 1,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 5,868 27,876 2,877 1,878 1,880 1,881 2,882 1,893 3.7,896 1,898 1,901 14.583,902 11.317,903 5.653,904 3.211,907 2.188,908 1.283,909 0.963,910 4.438,911 9.92,912 3.638,913 4.248,914 4.762,915 5.344,916 5.796,917 6.014,918 6.242,919 6.547,920 6.626,921 6.861,922 0.857,923 47,924 10.016,926 4.295,927 0.026,929 7.583,931 19.553,933 16.62,936 2.083,937 56.25,939 1,940 1,941 306.049,942 131.842,943 24.259,945 36.145,948 131.842,949 342.193,950 24.259,951 43.268,952 22.651,953 56.857,954 25.145,955 37.562,956 18.534,957 294.278,959 306.049,960 156.102,961 36.145,964 282.506,965 59.687,968 52.251,969 103.851,972 306.049,973 60.404,974 131.842,977 306.049,978 31.716,979 106.374,980 18.011,981 36.145,982 306.049,983 60.404,984 131.842,986 0.606,987 0.357,988 0.206,989 0.103,990 25,991 12,992 0.053,993 3,994 2,995 1.222,996 3.77,997 241.72,998 0.222,999 18,1000 122.382,1005 18.33,1006 6.537,1007 3.11,1009 60.404,1010 11.917,1015 6.029,1017 18.011,1018 498.295,1019 37,1024 12.377,1028 -0.462,1031 53.563,1032 60.896,1034 0.249,1035 0.587,1036 0.803,1037 0.866,1038 0.866,1039 0.866,1040 4.949,1041 1.716,1042 5.979,1043 4.963,1044 4.533,1045 4.934,1046 2.466,1047 6.919,1048 4.461,1049 6.187,1050 1.457,1051 7.625,1052 4.769,1053 4.443,1054 4.913,1055 1.905,1056 8.264,1057 4.349,1058 7.534,1059 1.133,1060 9.385,1061 4.287,1062 6.286,1063 7.082,1064 3.531,1065 11.431,1066 6.156,1067 8.912,1068 0.729,1069 11.22,1070 3.06,1071 6.986,1072 7.769,1073 3.612,1074 13.699,1075 6.843,1076 10.323,1077 0.052,1078 13.108,1079 1.823,1080 8.418,1081 9.521,1082 4.913,1083 16.526,1084 8.25,1085 11.76,1086 -0.237,1087 15.04,1088 0.147,1089 9.476,1090 10.549,1091 5.293,1092 19.121,1093 9.298,1094 13.217,1095 -0.31,1096 17.005,1097 -0.63,1098 10.796,1099 12.128,1100 6.388,1101 21.871,1102 10.597,1103 3.737,1104 -0.347,1105 18.997,1106 -0.766,1107 12.007,1108 13.335,1109 6.931,1110 24.563,1111 11.794,1112 2.809,1113 15.306,1114 21.01,1115 -0.891,1116 13.306,1117 14.833,1118 7.902,1119 27.296,1120 13.075,1121 2.667,1122 8.83,1123 23.04,1124 4.206,1125 14.579,1126 16.136,1127 8.539,1128 30.014,1129 14.33,1130 2.454,1131 8.461,1132 25.081,1133 3.818,1134 15.881,1135 17.594,1136 9.436,1137 32.743,1138 15.613,1139 2.368,1140 8.081,1141 27.132,1142 3.318,1143 17.179,1144 18.95,1145 10.13,1146 35.468,1147 16.892,1148 2.094,1149 7.143,1150 29.191,1151 2.913,1152 18.488,1153 20.389,1154 10.981,1155 38.197,1156 18.18,1157 1.879,1158 5.986,1159 31.254,1160 2.681,1161 19.796,1162 21.775,1163 11.71,1164 40.924,1165 19.468,1166 8494,1167 12396,1168 19.304,1169 35.063,1170 46.485,1171 47.561,1172 49.31,1173 46.109,1174 46.19,1175 56.267,1176 8.422,1177 145.714,1178 44.531,1179 5.797,1180 5.973,1181 7.277,1182 5.805,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 16.255,1189 1.549,1190 1.585,1191 1.644,1192 1.537,1193 1.54,1194 1.876,1195 0.281,1196 4.857,1197 1.484,1198 4.094,1199 4.131,1200 4.04,1201 3.997,1202 7.435,1203 4.003,1204 3.947,1205 3.979,1206 3.886,1207 3.882,1208 4.843,1209 3.878,1210 3.701,1211 3.743,1212 3.619,1213 3.563,1214 4.735,1215 3.567,1216 3.421,1217 3.461,1218 3.358,1219 3.139,1220 4.446,1221 3.185,1222 3.278,1223 3.371,1224 3.108,1225 3.125,1226 4.148,1227 3.101,1228 3.266,1229 3.35,1230 3.067,1231 3.052,1232 3.966,1233 3.051,1234 3.235,1235 3.327,1236 3.04,1237 3.028,1238 3.962,1239 3.02,1240 2.976,1241 3.093,1242 2.82,1243 2.766,1244 3.894,1245 2.77,1246 0.161,1247 0.132,1248 0.267,1249 0.157,1250 0.125,1251 4.832,1252 0.14,1253 3.973,1254 0.073,1255 8.006,1256 0.51,1257 4.714,1258 0.122,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.938,1265 1.912,1266 2.056,1267 2.034,1268 1.31,1269 2.04,1270 1.901,1271 1.881,1272 2.003,1273 1.984,1274 1.183,1275 1.99,1276 1.633,1277 1.577,1278 1.832,1279 1.836,1280 1.057,1281 1.837,1282 1.534,1283 1.453,1284 1.787,1285 1.755,1286 1.012,1287 1.775,1288 1.303,1289 1.236,1290 1.639,1291 1.592,1292 0.719,1293 1.562,1294 1.281,1295 1.226,1296 1.581,1297 1.507,1298 0.644,1299 1.557,1300 1.199,1301 1.108,1302 1.471,1303 1.463,1304 0.563,1305 1.486,1306 1.014,1307 0.9,1308 1.453,1309 1.291,1310 0.517,1311 1.354,1312 4.111,1314 5.501,1315 3.045,1316 7.076,1317 5.638,1318 8.746,1319 7.921,1320 10.474,1322 10.645,1328 2.174,1329 2.832,1330 5.597,1332 0.354,1333 4.731,1334 0.058,1340 32.815,1341 77.52,1342 182.551,1343 249.48,1344 268.989,1345 268.989,1346 268.989,1347 41.389,1348 7.731,1349 44.81,1350 44.81,1351 22,1352 12.947,1353 3.807,1354 3,1355 40.41,1356 105,1357 89,1358 0.191,1359 200.112,1360 350.02,1361 480.033,1362 24025,1364 19.345,1365 0.716,1366 0.617,1367 19.345,1368 16.667,1369 12.775,1370 0.426,1371 0.314,1372 9.302,1373 12.32,1374 8.841,1375 7.419,1376 12.775,1377 9.425,1378 12.716,1379 0.276,1380 0.178,1381 12.716,1382 8.203,1383 10.362,1384 0.164,1385 0.095,1386 10.362,1387 5.98,1388 9.776,1389 0.107,1390 0.054,1391 9.776,1392 4.916,1393 7.043,1394 0.065,1395 0.028,1396 7.043,1397 3.052,1398 0.3,1399 79.732,1400 0.228,1401 25.783,1402 0.521,1403 152,1404 375.094,1405 165.359,1406 365.459,1407 509.8,1408 342,1409 185,1410 389.092,1411 198.642,1412 399.393,1413 587.65,1414 371,1415 7.108}
{0 CHEMBL131219,1 1.477,2 15.6,3 5.369,4 28.823,5 134.755,6 7.302,7 0.474,8 4.26,9 4.366,10 3.807,11 3.785,12 5.357,13 3.769,14 4.799,15 4.964,16 4.141,17 4.147,18 5.895,19 4.112,20 5.043,21 5.236,22 4.218,23 4.273,24 6.076,25 4.223,26 5.099,27 5.308,28 4.169,29 4.263,30 6.18,31 4.196,32 5.057,33 5.267,34 4.06,35 4.284,36 6.033,37 4.18,38 5.132,39 5.378,40 3.996,41 4.271,42 6.022,43 4.139,44 5.088,45 5.336,46 3.895,47 4.18,48 5.957,49 4.048,50 4.992,51 5.232,52 3.828,53 4.08,54 5.869,55 3.962,56 0.027,57 0.872,58 13.457,59 6.264,60 7.495,61 7.875,62 0.4,63 1.403,64 25.856,65 10.009,66 36.792,67 13.084,68 0.371,69 1.678,70 34.715,71 12.988,72 44.826,73 16.863,74 0.773,75 1.734,76 38.188,77 13.264,78 79.216,79 17.488,80 0.419,81 1.718,82 35.299,83 13.72,84 56.406,85 18.326,86 0.477,87 1.805,88 39.475,89 14.877,90 62.258,91 20.653,92 0.538,93 1.707,94 38.409,95 13.744,96 59.706,97 18.897,98 0.527,99 1.523,100 35.052,101 12.346,102 54.275,103 16.728,104 26,105 51,106 0.234,107 0.543,108 0.748,109 0.86,110 0.903,111 0.903,112 3.588,113 0.937,114 -4.14,115 -4.09,116 -3.87,121 43.1,122 1,123 2,126 1,127 4,144 11,145 3,146 4,159 1,161 1,176 11,179 1,180 14,183 2,187 12,192 11,200 7,205 3,206 11,211 2,214 11,218 1,219 4,224 2,227 13,231 1,232 8,237 1,239 9,243 1,244 8,247 1,251 4,255 1,256 5,264 7,268 1,269 3,274 2,277 10,281 2336,282 24.032,283 24.032,284 24.032,285 24.032,286 24.032,287 21.65,288 30.132,289 14.545,290 24.554,291 18.708,292 18.708,293 18.708,294 18.708,295 18.708,296 14.964,297 39.249,298 6.811,299 19.503,300 4.545,301 2.603,302 1.309,303 0.6,304 0.331,305 0.331,306 4.286,312 1,313 1176,314 4.359,318 411.194,322 310.634,325 2.24,326 34.701,329 1,330 0.67,331 0.83,332 1,333 0.5,334 0.83,335 0.5,336 0.76,337 76,338 546,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 2.186,346 11.061,347 3.18,348 4.107,349 3.66,350 6.011,351 3.734,352 2.773,353 3.688,354 0.916,355 8.529,356 2.669,357 4.048,358 3.025,359 5.707,360 3.613,361 2.643,362 3.676,363 0.86,364 8.081,365 2.563,366 3.685,367 2.992,368 5.409,369 3.429,370 2.504,371 2.965,372 0.86,373 7.145,374 2.303,375 3.617,376 2.82,377 5.395,378 3.233,379 2.271,380 2.89,381 0.366,382 6.912,383 2.171,384 3.441,385 2.676,386 5.124,387 3.169,388 2.208,389 2.551,390 0.172,391 6.043,392 2.098,393 3.308,394 2.492,395 5.003,396 2.947,397 2.01,398 2.503,400 5.973,401 1.861,402 3.132,403 2.209,404 4.627,405 2.785,406 1.811,407 2.257,409 4.906,410 1.752,411 2.904,412 1.721,413 4.125,414 2.451,415 1.477,416 2.081,418 3.384,419 1.434,420 2.715,421 1.59,422 3.721,423 2.397,424 1.414,425 1.811,427 3.116,428 1.383,429 2.664,430 1.371,431 3.616,432 2.243,433 1.256,434 1.736,436 3.008,437 1.236,438 2.519,439 1.298,440 3.495,441 2.195,442 1.203,443 1.512,445 2.62,446 1.191,447 2.398,448 1.294,449 3.481,450 1.996,451 1.024,452 1.271,454 2.069,455 0.991,456 2.05,457 1.143,458 3.136,459 1.87,460 0.844,461 1.035,463 1.759,464 0.86,465 1.539,466 1.101,467 2.987,468 1.334,469 0.408,470 0.442,472 0.923,473 0.374,474 16.467,475 0.47,476 0.691,477 0.02,478 44.75,479 1.279,480 22.5,481 0.643,482 22.25,483 0.636,484 30.366,485 0.868,486 38.133,487 0.587,488 35.98,489 1.028,490 8.99,491 0.257,492 8.077,493 0.231,494 0.101,496 0.298,501 0.774,502 1.306,503 0.791,504 1.159,505 0.586,506 1.004,507 0.868,508 0.996,509 0.885,510 0.982,511 0.553,512 0.931,513 1.176,514 1.045,515 0.93,516 1.008,517 0.824,518 0.937,519 1.187,520 0.893,521 1.008,522 0.885,523 1.119,524 0.907,525 0.929,526 1.083,527 1.068,528 1.103,529 1.057,530 1.112,531 0.717,532 1.05,533 0.945,534 1.057,535 0.592,536 1.047,537 0.947,538 0.966,539 1.045,540 1.017,541 0.725,542 1.045,543 1.119,544 0.974,545 1.059,546 0.977,547 0.813,548 1.007,549 6.5,550 0.202,551 2.889,552 2.375,553 1.853,554 0.813,555 0.665,556 0.373,557 0.312,558 0.188,559 20764,560 55833,561 2.075,562 46.2,563 3,564 22,567 1,569 2,570 2,572 1.762,573 1.963,574 3.903,575 -0.401,582 96.032,583 1.477,584 3.42,585 4.714,586 5.422,587 5.691,588 5.691,589 3.347,590 4.958,591 5.104,592 4.092,593 2434.48,594 8.931,595 41064.5,600 391.454,601 1.316,602 5.07,603 0.171,604 0.006,605 0.057,606 0.044,607 0.037,608 0.018,609 0.016,610 0.01,611 0.009,612 0.006,613 0.374,614 0.33,615 0.75,616 1.123,617 194.39,618 -0.02,619 -0.147,620 0.058,621 -0.08,622 -0.031,623 -0.01,624 0.098,625 0.108,626 0.05,627 0.022,628 0.119,629 0.032,630 -0.091,631 -0.038,632 0.049,633 -0.011,634 0.021,635 0.037,636 0.008,637 0.101,638 0.003,639 0.083,640 0.041,641 0.051,642 -0.06,643 -0.085,644 -0.116,645 -0.095,646 -0.084,647 -0.114,648 0.053,649 -0.097,650 0.024,651 -0.062,652 0.04,653 -0.031,654 -0.033,655 -0.008,656 -0.05,657 -0.047,658 -0.046,659 -0.052,660 -0.084,661 -0.03,662 -0.049,663 -0.006,664 -0.071,665 -0.022,666 2.147,667 5.701,668 0.571,669 41.092,670 1.003,671 1.121,672 2.913,673 8.487,674 0.661,675 3.664,676 3.951,677 4.205,678 4.466,679 4.7,680 4.779,681 4.883,682 5.004,683 5.063,684 4.99,685 9.07,686 0.631,687 474.6,688 3.664,689 5.187,690 6.023,691 6.889,692 7.744,693 8.619,694 9.483,695 10.364,696 11.235,697 12.12,698 3.1,701 1,705 1,715 11,720 7,722 18,727 1,737 1,739 2,741 65,743 20,744 3,745 38,747 68,748 28,749 18,750 7,751 11,752 1,756 4,757 7,763 1,770 2,772 20,773 8,777 2,782 2,786 2,793 30,794 7,795 1,796 7,802 2,808 0.5,809 5,829 4,833 2,855 1,859 2,864 2,868 35,876 6,877 1,878 3,881 1,893 7.7,896 2,898 3,901 17.833,902 12.2,903 7.944,904 4.113,907 3.466,908 1.426,909 0.966,910 8.535,911 11.601,912 3.912,913 4.449,914 4.978,915 5.527,916 6.053,917 6.27,918 6.603,919 6.959,920 7.236,921 7.4,922 1,923 54,924 12.968,926 5.417,927 0.026,929 7.757,931 24.762,933 19.848,936 2.257,937 79,941 341.362,942 179.865,943 21.135,945 83.29,948 179.865,949 424.651,950 21.135,951 17.222,952 33.989,953 104.239,954 55.423,955 66.654,956 6.763,957 341.362,959 341.362,960 201,961 83.29,964 294.278,965 130.374,968 45.939,969 155.062,972 341.362,973 104.425,974 179.865,977 341.362,978 58.405,979 124.585,980 18.011,981 83.29,982 341.362,983 104.425,984 179.865,986 0.565,987 0.328,988 0.181,989 0.1,990 22,991 10,992 0.162,993 11,994 2,995 1.2,996 4.69,997 312.117,998 0.2,999 20,1000 179.525,1005 24.927,1006 11.983,1007 6.486,1009 104.425,1010 20.201,1015 4.509,1017 18.011,1018 625.652,1019 49,1024 24.178,1028 -0.515,1031 65.211,1032 72.856,1034 0.245,1035 0.568,1036 0.783,1037 0.9,1038 0.945,1039 0.945,1040 5.133,1041 1.811,1042 5.984,1043 5.973,1044 4.635,1045 5.136,1046 2.639,1047 6.76,1048 4.558,1049 6.308,1050 1.477,1051 7.516,1052 4.906,1053 4.111,1054 4.832,1055 1.847,1056 7.579,1057 4.007,1058 7.593,1059 1.414,1060 9.148,1061 3.384,1062 6.188,1063 7.247,1064 3.582,1065 10.69,1066 6.045,1067 8.912,1068 1.256,1069 10.84,1070 3.116,1071 6.494,1072 7.758,1073 3.603,1074 12.361,1075 6.339,1076 10.264,1077 1.203,1078 12.573,1079 3.008,1080 8.013,1081 9.649,1082 4.922,1083 14.996,1084 7.828,1085 11.64,1086 1.024,1087 14.335,1088 2.62,1089 8.731,1090 10.563,1091 5.291,1092 17.054,1093 8.547,1094 13.034,1095 0.844,1096 16.12,1097 2.069,1098 10.014,1099 12.22,1100 6.39,1101 19.53,1102 9.811,1103 3.215,1104 0.408,1105 17.922,1106 1.759,1107 10.945,1108 13.352,1109 6.93,1110 21.771,1111 10.746,1112 2.773,1113 11.061,1114 19.739,1115 0.923,1116 12.133,1117 14.891,1118 7.902,1119 24.194,1120 11.922,1121 2.643,1122 8.529,1123 21.57,1124 4.198,1125 13.173,1126 16.145,1127 8.539,1128 26.52,1129 12.964,1130 2.504,1131 8.081,1132 23.411,1133 3.688,1134 14.326,1135 17.622,1136 9.436,1137 28.927,1138 14.111,1139 2.271,1140 7.145,1141 25.262,1142 3.676,1143 15.421,1144 18.946,1145 10.13,1146 31.292,1147 15.206,1148 2.208,1149 6.912,1150 27.122,1151 2.965,1152 16.566,1153 20.393,1154 10.981,1155 33.694,1156 16.346,1157 2.01,1158 6.043,1159 28.989,1160 2.89,1161 17.691,1162 21.758,1163 11.71,1164 36.079,1165 17.468,1166 19778,1167 32627,1168 25.542,1169 42.943,1170 55.318,1171 57.912,1172 57.413,1173 54.886,1174 54.887,1175 70.045,1176 10.723,1177 152.172,1178 52.819,1179 5.491,1180 5.692,1181 6.55,1182 5.302,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.18,1188 16.784,1189 1.456,1190 1.524,1191 1.511,1192 1.444,1193 1.444,1194 1.843,1195 0.282,1196 4.005,1197 1.39,1198 4.049,1199 4.058,1200 4.015,1201 3.965,1202 7.435,1203 3.975,1204 3.942,1205 3.972,1206 3.88,1207 3.858,1208 7.427,1209 3.858,1210 3.782,1211 3.811,1212 3.716,1213 3.711,1214 4.947,1215 3.708,1216 3.707,1217 3.764,1218 3.582,1219 3.545,1220 4.813,1221 3.542,1222 3.529,1223 3.59,1224 3.44,1225 3.346,1226 4.708,1227 3.328,1228 3.506,1229 3.577,1230 3.329,1231 3.214,1232 4.384,1233 3.26,1234 3.264,1235 3.322,1236 3.161,1237 3.08,1238 4.309,1239 3.095,1240 3.168,1241 3.197,1242 3.028,1243 3.011,1244 4.218,1245 3.006,1246 0.12,1247 0.097,1248 0.178,1249 0.111,1250 0.085,1251 4.553,1252 0.11,1253 3.692,1254 0.058,1255 6.774,1256 0.291,1257 4.203,1258 0.084,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.059,1267 2.084,1268 1.3,1269 2.074,1270 1.913,1271 1.887,1272 2.04,1273 2.03,1274 1.167,1275 2.035,1276 1.775,1277 1.752,1278 1.935,1279 1.903,1280 1.113,1281 1.912,1282 1.692,1283 1.626,1284 1.89,1285 1.85,1286 1.099,1287 1.864,1288 1.524,1289 1.454,1290 1.813,1291 1.733,1292 0.972,1293 1.755,1294 1.403,1295 1.333,1296 1.691,1297 1.717,1298 0.708,1299 1.717,1300 1.225,1301 1.166,1302 1.511,1303 1.469,1304 0.678,1305 1.486,1306 1.122,1307 1.094,1308 1.28,1309 1.309,1310 0.459,1311 1.29,1312 4.344,1314 5.638,1316 7.133,1318 8.729,1320 10.382,1322 3.689,1328 4.994,1329 2.455,1330 17.134,1333 2.355,1340 40.992,1341 96.032,1342 222.288,1343 306.381,1344 352.434,1345 369.944,1346 369.944,1347 68.79,1348 8.136,1349 81.01,1350 81.01,1351 24,1352 12.656,1353 4.392,1354 3.585,1355 59.914,1356 196,1357 182,1358 0.146,1359 251.151,1360 447.73,1361 604.568,1362 47174,1364 24.623,1365 0.704,1366 0.574,1367 24.623,1368 20.082,1369 17.067,1370 0.449,1371 0.312,1372 11.69,1373 16.371,1374 11.4,1375 9.51,1376 17.067,1377 11.864,1378 14.729,1379 0.289,1380 0.164,1381 14.729,1382 8.35,1383 12.236,1384 0.185,1385 0.086,1386 12.236,1387 5.696,1388 10.229,1389 0.119,1390 0.047,1391 10.229,1392 4.059,1393 8.24,1394 0.076,1395 0.025,1396 8.24,1397 2.746,1398 0.239,1399 107.269,1400 0.198,1401 33.024,1402 0.373,1403 178,1404 554.656,1405 198.077,1406 521.897,1407 710.59,1408 490,1409 206,1410 520.794,1411 225.445,1412 520.461,1413 763.35,1414 490,1415 8.398}
{0 CHEMBL13122,1 1.757,2 18.025,3 5.151,4 26.535,5 166.378,6 7.8,7 0.381,8 4.418,9 4.537,10 4.065,11 3.901,12 5.543,13 3.855,14 4.959,15 5.144,16 4.354,17 4.274,18 6.136,19 4.201,20 5.122,21 5.303,22 4.405,23 4.373,24 6.159,25 4.276,26 5.307,27 5.56,28 4.438,29 4.424,30 6.336,31 4.296,32 5.199,33 5.394,34 4.382,35 4.357,36 6.309,37 4.264,38 5.243,39 5.463,40 4.404,41 4.363,42 6.545,43 4.219,44 5.082,45 5.294,46 4.374,47 4.275,48 6.127,49 4.13,50 5.11,51 5.357,52 4.182,53 4.241,54 6.054,55 4.093,56 0.282,57 1.141,58 16.911,59 7.209,60 14.847,61 9.14,62 0.653,63 1.742,64 39.728,65 12.343,66 83.249,67 15.31,68 0.757,69 1.949,70 44.193,71 14.233,72 49.367,73 18.201,74 0.889,75 2.121,76 55.527,77 17.431,78 89.776,79 23.202,80 1.133,81 1.919,82 46.646,83 14.597,84 94.409,85 18.062,86 1.434,87 2.005,88 55.86,89 15.605,90 206.402,91 20.477,92 0.772,93 1.781,94 48.28,95 14.189,96 88.527,97 17.557,98 0.76,99 1.769,100 56.059,101 15.114,102 82.298,103 18.902,104 85,105 56,106 0.271,107 0.521,108 0.669,109 0.693,110 0.705,111 0.705,112 3.717,113 1.07,114 -3.64,115 -3.61,116 -3.44,121 34.2,126 4,127 8,144 6,146 4,154 4,168 4,176 2,179 2,180 6,185 2,191 2,192 10,195 2,197 4,200 3,205 1,206 6,209 4,210 1,214 2,218 4,222 2,227 2,231 4,232 4,235 6,237 2,239 2,244 4,249 4,256 4,264 2,268 2,269 8,272 2,277 4,281 4214,282 26.275,283 26.275,284 26.275,285 26.275,286 26.275,287 23.754,288 41.918,289 15.964,290 27.152,291 20.789,292 20.789,293 20.789,294 20.789,295 20.789,296 16.876,297 62.109,298 7.656,299 22.102,300 4.491,301 2.863,302 1.902,303 1.75,304 1.671,305 1.671,306 4.395,313 1492,314 5.292,317 283.677,318 164.779,325 3.178,326 48.759,329 0.5,330 0.5,331 0.5,332 0.8,333 1,334 0.33,336 0.52,337 89,338 721,339 4.545,340 4.25,341 6.588,342 4.1,343 3.131,344 4.314,345 3.272,346 10.461,347 3.033,348 4.144,349 4.25,350 6.196,351 3.75,352 2.763,353 3.749,354 3.272,355 8.951,356 2.728,357 4.124,358 3.847,359 5.675,360 3.75,361 2.763,362 3.735,363 2.612,364 7.971,365 2.728,366 4.124,367 3.76,368 5.675,369 3.644,370 2.684,371 3.735,372 2.612,373 7.971,374 2.572,375 3.626,376 2.999,377 5.113,378 3.178,379 2.244,380 3.043,381 0.916,382 6.085,383 2.098,384 3.372,385 2.997,386 5.03,387 3.178,388 2.244,389 2.51,390 0.916,391 6.084,392 2.097,393 3.37,394 2.862,395 5.029,396 3.074,397 2.116,398 2.507,399 0.4,400 5.952,401 2.025,402 3.273,403 2.7,404 4.694,405 2.81,406 1.887,407 2.471,408 0.4,409 4.691,410 1.744,411 2.921,412 2.681,413 4.338,414 2.699,415 1.785,416 1.957,417 0.172,418 4.343,419 1.631,420 2.916,421 2.41,422 4.338,423 2.678,424 1.739,425 1.953,426 0.172,427 4.339,428 1.624,429 2.808,430 2.246,431 3.826,432 2.443,433 1.525,434 1.858,436 3.298,437 1.376,438 2.611,439 2.228,440 3.694,441 2.337,442 1.43,443 1.61,445 3.164,446 1.272,447 2.595,448 1.765,449 3.686,450 2.12,451 1.138,452 1.599,454 2.801,455 1.111,456 2.216,457 1.721,458 3.29,459 1.778,460 0.836,461 1.095,463 1.896,464 0.776,465 2.214,466 1.662,467 3.285,468 1.777,469 0.831,470 1.093,472 1.887,473 0.776,474 19.067,475 0.477,476 1.055,477 0.026,478 47,479 1.175,480 21,481 0.525,482 26,483 0.65,484 41.28,485 1.032,486 46.333,487 0.61,488 39.951,489 0.999,490 8.752,491 0.219,492 10.365,493 0.259,494 0.175,496 0.294,501 0.567,502 1.399,503 0.756,504 1.069,505 0.503,506 1.058,507 0.848,508 1.105,509 1.179,510 1.143,511 0.379,512 0.932,513 0.963,514 1.263,515 1.097,516 1.261,517 0.612,518 1.221,519 0.658,520 0.97,521 0.789,522 0.934,523 0.687,524 0.881,525 1.385,526 0.921,527 1.059,528 0.903,529 1.256,530 1.02,531 0.805,532 1.044,533 1.145,534 1.128,535 0.872,536 1.09,537 1.047,538 1.177,539 1.116,540 1.211,541 1.268,542 1.107,543 0.938,544 1.036,545 1.372,546 1.263,547 0.974,548 0.94,549 9,550 0.271,551 3.111,552 2.889,553 1.974,554 1.744,555 0.599,556 0.512,557 0.337,558 0.381,559 29186,560 86443,561 1.966,562 47.4,564 34,567 2,572 1.798,573 1.818,574 4.067,575 0.248,582 133.494,583 1.757,584 3.384,585 4.346,586 4.498,587 4.577,588 4.577,589 3.565,590 4.034,591 5.285,592 4.321,593 3370.18,594 9.324,595 64961.9,600 474.842,601 1.485,602 5.237,603 0.214,604 0.006,605 0.056,606 0.055,607 0.035,608 0.034,609 0.013,610 0.012,611 0.008,612 0.008,613 0.44,614 0.33,615 0.63,616 1.146,617 233.118,618 0.166,619 -0.112,620 0.081,621 0.003,622 0.02,623 -0.028,624 0.008,625 0.074,626 -0.06,627 0.009,628 0.243,629 0.087,630 -0.046,631 -0.161,632 -0.115,633 -0.194,634 -0.021,635 -0.207,636 0.14,637 -0.015,638 0.185,639 0.05,640 0.109,641 0.132,642 -0.16,643 0.09,644 -0.105,645 0.059,646 -0.155,647 -0.065,648 0.222,649 -0.031,650 -0.022,651 -0.049,652 0.303,653 -0.094,654 -0.094,655 -0.132,656 0.058,657 -0.054,658 -0.137,659 -0.079,660 -0.075,661 -0.019,662 -0.064,663 -0.043,664 -0.053,665 0.107,666 2.606,667 4.642,668 0.4,669 66.52,670 1.013,671 1.136,672 2.415,673 5.831,674 0.651,675 3.761,676 4.043,677 4.205,678 4.443,679 4.533,680 4.625,681 4.595,682 4.489,683 4.489,684 4.595,685 10.473,686 0.614,687 592.82,688 3.761,689 5.283,690 6.089,691 6.944,692 7.774,693 8.635,694 9.475,695 10.338,696 11.184,697 12.05,698 7.9,701 2,703 2,709 2,715 6,718 2,720 8,722 16,734 2,735 2,741 76,743 20,744 1,745 42,747 78,748 26,749 14,750 4,751 2,756 3,757 3,772 14,773 12,777 4,779 2,782 4,792 2,793 36,794 10,795 2,796 14,797 2,802 6,808 1,809 6,828 2,829 1,855 2,859 3,860 2,862 2,864 4,868 40,876 8,877 2,879 2,881 2,893 7.9,898 2,899 4,901 22,902 14.633,903 8.944,904 4.122,907 2.649,908 1.339,909 0.931,910 13.157,911 10.455,912 4.007,913 4.554,914 4.997,915 5.533,916 5.831,917 6.123,918 6.201,919 6.1,920 5.982,921 6.195,922 1,923 53,924 14.855,926 6.141,927 0.026,929 7.925,931 27.951,933 21.845,936 2.425,937 97,941 400.217,942 199.726,943 53.61,945 120.509,947 64.439,948 135.287,949 520.726,950 53.61,951 44.926,952 12.022,953 56.857,954 36.022,955 36.29,956 21.795,957 464.657,958 101.494,959 400.217,960 188.897,961 120.509,962 64.439,964 400.217,965 19.015,966 101.494,968 18.27,969 123.265,970 47.362,971 64.439,972 400.217,973 174.119,974 199.726,977 400.217,978 109.283,979 108.032,980 36.022,981 120.509,982 400.217,983 174.119,984 199.726,986 0.571,987 0.303,988 0.168,989 0.089,990 21,991 12,992 0.231,993 18,995 1,996 5.094,997 352.602,999 16,1000 166.877,1001 2,1005 32.309,1006 16.289,1007 10.953,1009 162.779,1010 10.281,1013 11.606,1015 3.345,1017 36.022,1018 774.062,1019 54,1021 -1.212,1024 46.567,1031 76.981,1032 86.314,1034 0.281,1035 0.542,1036 0.696,1037 0.72,1038 0.733,1039 0.733,1040 5.231,1041 1.887,1042 6.061,1043 5.952,1044 4.727,1045 5.242,1046 4.247,1047 6.808,1048 4.628,1049 6.418,1050 1.785,1051 7.581,1052 4.691,1053 4.29,1054 5.13,1055 3.043,1056 7.597,1057 4.192,1058 7.711,1059 1.739,1060 9.199,1061 4.343,1062 6.256,1063 7.386,1064 6.375,1065 10.656,1066 6.094,1067 9.039,1068 1.525,1069 10.875,1070 4.339,1071 6.608,1072 8.107,1073 5.199,1074 12.293,1075 6.456,1076 10.4,1077 1.43,1078 12.59,1079 3.298,1080 8.055,1081 9.85,1082 8.644,1083 14.865,1084 7.851,1085 11.783,1086 1.138,1087 14.334,1088 3.164,1089 8.783,1090 10.94,1091 7.249,1092 16.876,1093 8.582,1094 13.186,1095 0.836,1096 16.1,1097 2.801,1098 10.019,1099 12.487,1100 10.959,1101 19.277,1102 9.777,1103 3.131,1104 0.831,1105 17.882,1106 1.896,1107 10.937,1108 13.748,1109 9.241,1110 21.458,1111 10.685,1112 2.763,1113 10.461,1114 19.678,1115 1.887,1116 12.086,1117 15.217,1118 13.296,1119 23.803,1120 11.8,1121 2.763,1122 8.951,1123 21.486,1124 4.314,1125 13.097,1126 16.56,1127 11.202,1128 26.063,1129 12.793,1130 2.684,1131 7.971,1132 23.303,1133 3.749,1134 14.214,1135 18.001,1136 15.647,1137 28.391,1138 13.878,1139 2.244,1140 7.971,1141 25.128,1142 3.735,1143 15.274,1144 19.387,1145 13.145,1146 30.689,1147 14.913,1148 2.244,1149 6.085,1150 26.96,1151 3.735,1152 16.382,1153 20.82,1154 18.005,1155 33.018,1156 15.99,1157 2.116,1158 6.084,1159 28.798,1160 3.043,1161 17.468,1162 22.229,1163 15.079,1164 35.335,1165 17.047,1166 28760,1167 49904,1168 27.046,1169 49.478,1170 61.877,1171 69.098,1172 63.027,1173 61.204,1174 61.206,1175 78.12,1176 29.495,1177 166.811,1178 57.877,1179 5.475,1180 6.25,1181 6.358,1182 5.219,1183 5.131,1184 7.314,1185 6.545,1186 17.288,1187 5.033,1188 26.006,1189 1.473,1190 1.645,1191 1.501,1192 1.457,1193 1.457,1194 1.86,1195 0.702,1196 3.972,1197 1.378,1198 4.068,1199 4.096,1200 4.064,1201 3.911,1202 7.819,1203 3.93,1204 3.953,1205 3.968,1206 3.97,1207 3.811,1208 7.811,1209 3.821,1210 3.93,1211 3.942,1212 3.969,1213 3.794,1214 6.999,1215 3.801,1216 3.668,1217 3.702,1218 3.724,1219 3.476,1220 6.999,1221 3.421,1222 3.574,1223 3.648,1224 3.715,1225 3.451,1226 5.044,1227 3.385,1228 3.562,1229 3.636,1230 3.648,1231 3.287,1232 5.025,1233 3.303,1234 3.524,1235 3.595,1236 3.395,1237 3.287,1238 4.684,1239 3.289,1240 3.492,1241 3.559,1242 3.362,1243 3.142,1244 4.277,1245 3.22,1246 0.108,1247 0.101,1248 0.157,1249 0.098,1250 0.075,1251 4.545,1252 0.103,1253 4.25,1254 0.078,1255 6.588,1256 0.249,1257 4.1,1258 0.072,1259 3.131,1260 4.314,1261 3.272,1262 10.461,1263 3.033,1264 1.948,1265 1.922,1266 2.011,1267 2.149,1268 1.189,1269 2.096,1270 1.648,1271 1.594,1272 1.869,1273 1.883,1274 1.115,1275 1.882,1276 1.647,1277 1.592,1278 1.867,1279 1.881,1280 1.043,1281 1.88,1282 1.611,1283 1.576,1284 1.766,1285 1.852,1286 1.033,1287 1.804,1288 1.592,1289 1.565,1290 1.726,1291 1.756,1292 1.028,1293 1.77,1294 1.458,1295 1.401,1296 1.67,1297 1.738,1298 0.862,1299 1.683,1300 1.421,1301 1.36,1302 1.651,1303 1.652,1304 0.842,1305 1.64,1306 1.298,1307 1.25,1308 1.527,1309 1.629,1310 0.658,1311 1.616,1312 4.443,1314 5.733,1315 3.045,1316 7.177,1317 5.283,1318 8.706,1319 7.248,1320 10.291,1322 7.905,1328 5.042,1329 6.148,1331 3.259,1333 4.059,1340 46.693,1341 133.494,1342 257.217,1343 330.313,1344 341.823,1345 347.823,1346 347.823,1347 126.606,1348 7.806,1349 148.46,1350 199.06,1351 16,1352 12.6,1353 4.392,1354 3.7,1355 87.632,1356 243,1357 260,1358 0.164,1359 298.65,1360 520.58,1361 720.465,1362 32210,1364 29.07,1365 0.727,1366 0.62,1367 29.777,1368 24.809,1369 19.117,1370 0.455,1371 0.357,1372 12.605,1373 17.022,1374 11.944,1375 9.989,1376 20.117,1377 14.977,1378 17.433,1379 0.311,1380 0.21,1381 18.428,1382 11.781,1383 12.357,1384 0.187,1385 0.113,1386 13.47,1387 7.461,1388 10.41,1389 0.124,1390 0.063,1391 11.426,1392 5.311,1393 7.397,1394 0.08,1395 0.039,1396 8.426,1397 3.549,1398 0.27,1399 132.604,1400 0.192,1401 37.165,1402 0.418,1403 196,1404 693.38,1405 260.924,1406 690.271,1407 897.96,1408 638,1409 220,1410 616.215,1411 279.502,1412 628.264,1413 896.68,1414 578,1415 7.553}
{0 CHEMBL131286,1 1.474,2 12.848,3 5.593,4 31.281,5 128.264,6 7.831,7 0.595,8 4.123,9 4.227,10 3.742,11 3.755,12 5.262,13 3.73,14 4.649,15 4.797,16 4.109,17 4.155,18 5.77,19 4.115,20 4.927,21 5.109,22 4.177,23 4.285,24 6.059,25 4.218,26 5.006,27 5.225,28 4.094,29 4.244,30 6.103,31 4.164,32 4.893,33 5.094,34 4.1,35 4.239,36 5.967,37 4.163,38 4.967,39 5.166,40 4.161,41 4.296,42 6.157,43 4.214,44 4.952,45 5.155,46 4.089,47 4.276,48 6.029,49 4.181,50 4.947,51 5.171,52 3.999,53 4.152,54 6.151,55 4.061,56 0.006,57 0.794,58 9.807,59 5.111,60 7.517,61 6.293,62 0.141,63 1.356,64 18.725,65 8.437,66 17.358,67 10.586,68 0.182,69 1.742,70 27.502,71 11.925,72 48.518,73 14.901,74 0.445,75 1.802,76 33.207,77 12.695,78 77.261,79 16.026,80 0.196,81 1.58,82 27.603,83 11.678,84 44.29,85 15.147,86 0.539,87 1.732,88 30.334,89 12.545,90 87.916,91 16.158,92 0.156,93 1.692,94 29.177,95 12.798,96 42.831,97 16.668,98 0.47,99 1.705,100 31.712,101 12.427,102 93.961,103 15.809,104 10,105 52,106 0.237,107 0.542,108 0.712,109 0.839,110 0.866,111 0.866,112 3.532,113 0.891,114 -5.35,115 -5.24,116 -4.89,121 50,123 1,127 3,137 1,138 1,144 13,145 4,146 1,153 1,154 1,158 1,160 1,176 17,179 1,180 10,187 18,192 11,200 12,205 1,206 13,214 10,219 6,227 18,231 2,232 6,239 23,244 6,251 19,255 2,256 8,264 12,269 7,277 9,281 2012,282 22.585,283 22.585,284 22.585,285 22.585,286 22.585,287 19.58,288 20.513,289 13.368,290 22.787,291 18.287,292 18.287,293 18.287,294 18.287,295 18.287,296 13.699,297 24.77,298 6.413,299 18.624,300 4.333,301 2.441,302 1.388,303 0.6,304 0.429,305 0.429,306 4.241,311 1,312 1,313 935,314 3.162,317 70.716,318 397.461,321 134.152,325 1.853,326 35.35,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 70.5,338 424,339 4.703,340 3.706,341 6.887,342 4.246,343 3.273,344 4.652,345 1.277,346 11.526,347 3.186,348 4.217,349 3.656,350 6.24,351 3.897,352 2.902,353 3.775,354 0.995,355 9.226,356 2.894,357 4.12,358 3.054,359 6.072,360 3.756,361 2.758,362 3.521,363 0.98,364 8.765,365 2.754,366 3.914,367 2.978,368 5.533,369 3.548,370 2.554,371 3.443,372 0.359,373 7.486,374 2.535,375 3.722,376 2.879,377 5.44,378 3.281,379 2.328,380 3.144,382 6.727,383 2.202,384 3.416,385 2.483,386 5.06,387 3.053,388 2.096,389 2.737,391 5.993,392 2.005,393 3.25,394 2.18,395 4.975,396 2.956,397 1.965,398 2.555,400 5.805,401 1.931,402 3.24,403 1.99,404 4.851,405 2.77,406 1.807,407 2.336,409 5.216,410 1.728,411 2.874,412 1.816,413 4.216,414 2.451,415 1.442,416 1.94,418 3.8,419 1.451,420 2.825,421 1.754,422 3.949,423 2.41,424 1.414,425 1.91,427 3.036,428 1.407,429 2.74,430 1.519,431 3.594,432 2.241,433 1.245,434 1.79,436 2.94,437 1.235,438 2.531,439 1.202,440 3.59,441 2.062,442 1.057,443 1.5,445 2.708,446 1.058,447 2.5,448 1.074,449 3.414,450 2,451 1,452 1.5,454 2.275,455 1,456 2.5,457 1,458 3.396,459 2,460 1,461 1.479,463 2.136,464 1,465 2.128,466 1,467 3.247,468 1.622,469 0.615,470 0.887,472 1.559,473 0.611,474 15.752,475 0.477,476 0.763,477 0.023,478 45.25,479 1.371,480 24.5,481 0.742,482 20.75,483 0.629,484 25.898,485 0.785,486 33.448,487 0.597,488 37.059,489 1.123,490 9.256,491 0.28,492 6.825,493 0.207,494 0.06,496 0.336,499 1,501 0.544,502 1.037,503 0.699,504 0.956,505 0.492,506 0.875,507 0.69,508 0.989,509 0.866,510 0.955,511 0.55,512 0.933,513 0.946,514 1.124,515 1.011,516 1.126,517 0.885,518 1.088,519 1.135,520 0.847,521 1.038,522 0.891,523 1.133,524 0.931,525 0.742,526 0.851,527 0.886,528 0.966,529 0.729,530 0.952,531 0.712,532 0.74,533 0.938,534 0.925,535 0.822,536 0.966,537 0.691,538 0.994,539 0.963,540 1.129,541 0.699,542 1.103,543 1.04,544 0.937,545 1.014,546 0.97,547 1.078,548 0.984,549 6,550 0.172,551 3.556,552 2.514,553 1.739,554 1.119,555 0.804,556 0.551,557 0.448,558 0.261,559 15976,560 42785,561 2.15,562 41.1,564 20,565 1,568 2,572 1.755,573 2.041,574 3.636,575 -0.841,582 82.564,583 1.474,584 3.366,585 4.42,586 5.207,587 5.379,588 5.379,589 3.075,590 4.597,591 5.013,592 3.771,593 1990.99,594 8.798,595 29463.9,600 325.212,601 1.301,602 4.989,603 0.162,604 0.006,605 0.068,606 0.047,607 0.036,608 0.022,609 0.015,610 0.011,611 0.011,612 0.007,613 0.387,614 0.33,615 0.88,616 0.467,617 174.612,618 -0.002,619 -0.09,620 0.051,621 -0.016,622 -0.022,623 0.015,624 -0.001,625 -0.013,626 -0.033,627 -0.027,628 0.009,629 -0.031,630 -0.057,631 -0.155,632 -0.088,633 -0.163,634 -0.018,635 -0.138,636 -0.096,637 0.063,638 -0.032,639 0.068,640 -0.087,641 0.039,642 -0.021,643 -0.023,644 0.045,645 -0.001,646 -0.002,647 0.029,648 0.159,649 0.124,650 0.013,651 0.043,652 0.084,653 0.007,654 0.006,655 -0.147,656 -0.03,657 -0.149,658 0.015,659 -0.107,660 0.042,661 -0.008,662 0.012,663 0.011,664 0.05,665 0.007,666 2.051,667 6.141,668 0.818,669 35.118,670 1.002,671 1.113,672 4.123,673 16.998,674 0.701,675 3.638,676 3.97,677 4.263,678 4.543,679 4.812,680 4.89,681 5.056,682 5.226,683 5.323,684 5.438,685 7.312,686 0.672,687 438.53,688 3.638,689 5.187,690 6.047,691 6.93,692 7.81,693 8.701,694 9.59,695 10.487,696 11.382,697 12.282,698 3.6,701 1,706 1,714 2,715 14,720 4,721 1,722 22,740 1,741 56,743 25,744 3,745 37,747 60,748 28,749 20,750 5,751 13,752 4,756 5,757 6,767 1,770 1,772 24,773 4,777 3,782 2,784 1,786 3,791 1,793 23,794 4,796 5,802 2,808 0.8,809 2,824 1,828 1,829 4,832 1,841 1,849 1,850 1,855 1,859 4,866 1,868 33,876 4,881 1,892 1,893 3.6,896 2,901 16.167,902 10.126,903 7.167,904 3.377,907 4.352,908 1.529,909 1.034,910 5.831,911 12.58,912 3.951,913 4.567,914 5.187,915 5.782,916 6.347,917 6.669,918 7.115,919 7.557,920 7.843,921 8.231,922 0.889,923 53,924 12.288,926 5.394,927 0.026,929 7.833,931 23.368,933 19.676,936 2.333,937 77,941 270.735,942 186.985,943 5.023,945 50.29,946 14.96,948 186.985,949 321.025,950 19.984,952 8.852,953 141.715,954 60.128,955 29.46,956 28.875,957 258.964,959 270.735,960 192.008,961 65.25,964 285.695,965 50.29,968 13.875,969 168.657,970 9.476,972 285.695,973 55.313,974 186.985,977 270.735,978 45.27,979 146.738,981 65.25,982 270.735,983 70.273,984 186.985,986 0.583,987 0.341,988 0.185,989 0.107,990 26,991 11,992 0.067,993 4,994 1,995 1.074,996 4.42,997 315.708,998 0.074,999 27,1000 158.465,1005 21.21,1006 9.072,1007 4.472,1008 1.65,1009 68.374,1010 25.146,1015 2.058,1016 1.573,1018 527.994,1019 51,1024 25.864,1026 1.913,1028 0.645,1031 56.091,1032 62.322,1034 0.254,1035 0.58,1036 0.761,1037 0.897,1038 0.926,1039 0.926,1040 5.185,1041 1.807,1042 6.028,1043 5.805,1044 4.654,1045 5.255,1046 2.108,1047 6.843,1048 4.62,1049 6.397,1050 1.442,1051 7.586,1052 5.216,1053 4.205,1054 5.017,1055 0.325,1056 7.732,1057 4.144,1058 7.706,1059 1.414,1060 9.245,1061 3.8,1062 6.248,1063 7.474,1064 2.264,1065 10.862,1066 6.178,1067 9.051,1068 1.245,1069 10.964,1070 3.036,1071 6.635,1072 8.108,1073 0.504,1074 12.618,1075 6.544,1076 10.43,1077 1.057,1078 12.723,1079 2.94,1080 8.135,1081 10.016,1082 2.539,1083 15.27,1084 8.032,1085 11.835,1086 1,1087 14.511,1088 2.708,1089 8.918,1090 11.089,1091 0.585,1092 17.401,1093 8.794,1094 13.261,1095 1,1096 16.32,1097 2.275,1098 10.198,1099 12.765,1100 2.889,1101 19.897,1102 10.058,1103 3.273,1104 0.615,1105 18.147,1106 2.136,1107 11.176,1108 14.067,1109 0.622,1110 22.196,1111 11.012,1112 2.902,1113 11.526,1114 19.987,1115 1.559,1116 12.37,1117 15.647,1118 3.289,1119 24.643,1120 12.186,1121 2.758,1122 9.226,1123 21.839,1124 4.652,1125 13.441,1126 17.066,1127 0.639,1128 27.017,1129 13.231,1130 2.554,1131 8.765,1132 23.7,1133 3.775,1134 14.606,1135 18.609,1136 3.722,1137 29.452,1138 14.372,1139 2.328,1140 7.486,1141 25.57,1142 3.521,1143 15.724,1144 20.086,1145 0.646,1146 31.86,1147 15.461,1148 2.096,1149 6.727,1150 27.446,1151 3.443,1152 16.882,1153 21.618,1154 4.176,1155 34.295,1156 16.593,1157 1.965,1158 5.993,1159 29.329,1160 3.144,1161 18.024,1162 23.124,1163 0.648,1164 36.72,1165 17.705,1166 14852,1167 24482,1168 25.255,1169 39.233,1170 56.563,1171 58.114,1172 56.999,1173 55.685,1174 55.532,1175 75.105,1176 7.222,1177 159.862,1178 54.619,1179 5.703,1180 5.706,1181 6.689,1182 5.283,1183 5.273,1184 7.652,1185 2.555,1186 19.062,1187 5.186,1188 13.215,1189 1.529,1190 1.571,1191 1.541,1192 1.505,1193 1.501,1194 2.03,1195 0.195,1196 4.321,1197 1.476,1198 4.165,1199 4.193,1200 4.134,1201 4.08,1202 8.201,1203 4.089,1204 3.94,1205 3.98,1206 3.866,1207 3.861,1208 7.43,1209 3.856,1210 3.893,1211 3.917,1212 3.845,1213 3.826,1214 7.425,1215 3.826,1216 3.797,1217 3.833,1218 3.722,1219 3.685,1220 4.915,1221 3.69,1222 3.458,1223 3.503,1224 3.381,1225 3.332,1226 4.754,1227 3.334,1228 3.297,1229 3.341,1230 3.218,1231 3.125,1232 4.593,1233 3.142,1234 3.214,1235 3.272,1236 3.103,1237 3.04,1238 4.36,1239 3.04,1240 3.027,1241 3.069,1242 2.912,1243 2.886,1244 4.185,1245 2.885,1246 0.127,1247 0.1,1248 0.186,1249 0.115,1250 0.088,1251 4.703,1252 0.126,1253 3.706,1254 0.035,1255 6.887,1256 0.312,1257 4.246,1258 0.086,1259 3.273,1260 4.652,1261 1.277,1262 11.526,1263 3.186,1264 1.963,1265 1.941,1266 2.068,1267 2.06,1268 1.3,1269 2.063,1270 1.926,1271 1.895,1272 2.036,1273 2.044,1274 1.166,1275 2.039,1276 1.888,1277 1.866,1278 1.988,1279 1.967,1280 1.1,1281 1.977,1282 1.791,1283 1.757,1284 1.935,1285 1.915,1286 1.06,1287 1.924,1288 1.528,1289 1.482,1290 1.667,1291 1.707,1292 0.845,1293 1.694,1294 1.243,1295 1.198,1296 1.477,1297 1.441,1298 0.701,1299 1.441,1300 1.196,1301 1.133,1302 1.422,1303 1.407,1304 0.587,1305 1.429,1306 1.008,1307 0.96,1308 1.223,1309 1.18,1310 0.362,1311 1.196,1312 4.317,1314 5.645,1315 2.398,1316 7.169,1317 4.844,1318 8.778,1319 7.05,1320 10.431,1324 13.314,1328 2.567,1333 2.269,1340 37.65,1341 82.564,1342 188.503,1343 247.497,1344 291.602,1345 301.212,1346 301.212,1347 64.012,1348 8.228,1349 42.31,1350 42.31,1351 29,1352 12.805,1353 4.7,1354 3.907,1355 47.718,1356 142,1357 155,1358 0.16,1359 227.112,1360 398.89,1361 545.914,1362 47239,1363 1.8,1364 22.786,1365 0.69,1366 0.548,1367 21.916,1368 18.078,1369 16.081,1370 0.435,1371 0.297,1372 10.879,1373 15.642,1374 10.648,1375 8.781,1376 15.687,1377 10.987,1378 14.543,1379 0.28,1380 0.16,1381 13.921,1382 8.323,1383 12.553,1384 0.179,1385 0.086,1386 12.142,1387 6.039,1388 10.379,1389 0.112,1390 0.047,1391 10.228,1392 4.339,1393 8.879,1394 0.073,1395 0.025,1396 8.662,1397 3.106,1398 0.251,1399 99.654,1400 0.199,1401 30.63,1402 0.44,1403 178,1404 534.872,1405 190.978,1406 499.154,1407 675.57,1408 466,1409 211,1410 488.592,1411 224.557,1412 494.478,1413 724.54,1414 466,1415 4.222}
{0 CHEMBL131318,1 1.409,2 12.324,3 5.371,4 28.848,5 134.511,6 7.509,7 0.579,8 4.186,9 4.29,10 3.773,11 3.795,12 5.29,13 3.767,14 4.715,15 4.869,16 4.123,17 4.189,18 5.766,19 4.145,20 4.958,21 5.134,22 4.203,23 4.332,24 6.023,25 4.261,26 5.066,27 5.28,28 4.151,29 4.318,30 6.119,31 4.232,32 4.997,33 5.203,34 4.181,35 4.319,36 6.041,37 4.239,38 5.045,39 5.243,40 4.201,41 4.37,42 6.097,43 4.287,44 5.043,45 5.242,46 4.176,47 4.358,48 6.097,49 4.263,50 5.056,51 5.272,52 4.125,53 4.259,54 6.223,55 4.171,56 0.013,57 0.782,58 11.481,59 5.568,60 6.888,61 7.055,62 0.21,63 1.334,64 21.901,65 9.108,66 18.42,67 11.702,68 0.167,69 1.65,70 29.006,71 12.301,72 35.459,73 15.936,74 0.398,75 1.818,76 35.193,77 13.459,78 61.033,79 17.596,80 0.254,81 1.695,82 31.804,83 13.079,84 44.455,85 17.37,86 0.38,87 1.775,88 33.456,89 13.543,90 51.917,91 17.537,92 0.273,93 1.775,94 32.718,95 13.732,96 43.465,97 18.22,98 0.622,99 1.737,100 35.631,101 13.664,102 94.397,103 17.894,104 11,105 53,106 0.224,107 0.54,108 0.716,109 0.828,110 0.858,111 0.864,112 3.561,113 0.901,114 -4.66,115 -4.58,116 -4.31,121 48.3,123 1,126 1,127 3,137 1,138 1,144 13,145 4,146 1,153 1,154 1,158 1,160 1,176 17,179 1,180 12,187 18,192 13,200 12,205 1,206 13,214 9,218 1,219 9,227 17,231 2,232 6,239 22,243 1,244 5,251 19,255 4,256 11,264 13,269 9,277 9,281 2230,282 23.455,283 23.455,284 23.455,285 23.455,286 23.455,287 20.503,288 23.198,289 13.924,290 23.774,291 18.732,292 18.732,293 18.732,294 18.732,295 18.732,296 14.13,297 28.758,298 6.608,299 19.131,300 4.497,301 2.513,302 1.406,303 0.704,304 0.513,305 0.479,306 4.27,312 1,313 921,314 3.317,317 73.402,318 410.85,321 137.924,325 1.754,326 29.234,329 1,330 0.83,331 1,332 0.6,333 0.5,334 1,335 1,336 0.85,337 72,338 419,339 4.715,340 3.706,341 6.894,342 4.257,343 3.284,344 4.67,345 1.277,346 11.559,347 3.196,348 4.207,349 3.656,350 6.247,351 3.895,352 2.9,353 3.72,354 0.995,355 9.25,356 2.892,357 4.118,358 3.107,359 6.076,360 3.759,361 2.759,362 3.523,363 0.98,364 8.793,365 2.757,366 3.915,367 2.979,368 5.531,369 3.55,370 2.556,371 3.443,372 0.86,373 7.487,374 2.535,375 3.722,376 2.699,377 5.438,378 3.302,379 2.356,380 3.175,381 0.359,382 6.846,383 2.221,384 3.505,385 2.479,386 5.29,387 3.095,388 2.127,389 2.863,391 6.555,392 2.059,393 3.258,394 2.219,395 4.978,396 2.998,397 2.024,398 2.461,400 5.843,401 1.95,402 3.199,403 2.132,404 4.86,405 2.746,406 1.753,407 2.335,409 5.082,410 1.732,411 2.898,412 1.82,413 4.23,414 2.456,415 1.452,416 2.014,418 3.822,419 1.455,420 2.831,421 1.565,422 4.029,423 2.41,424 1.414,425 1.939,427 3.332,428 1.407,429 2.782,430 1.517,431 3.645,432 2.343,433 1.364,434 1.81,436 3.036,437 1.331,438 2.5,439 1.323,440 3.592,441 2.014,442 1.012,443 1.5,445 2.594,446 1.012,447 2.5,448 1.096,449 3.29,450 2,451 1,452 1.5,454 2.136,455 1,456 2.474,457 1.048,458 3.247,459 2,460 1,461 1.409,463 2.136,464 1,465 2.183,466 1,467 3.247,468 1.654,469 0.653,470 0.937,472 1.527,473 0.64,474 16.3,475 0.479,476 0.725,477 0.021,478 46.5,479 1.368,480 25,481 0.735,482 21.5,483 0.632,484 27.538,485 0.81,486 34.7,487 0.578,488 38.536,489 1.133,490 9.537,491 0.28,492 7.082,493 0.208,494 0.072,496 0.325,501 0.672,502 1.198,503 0.75,504 1.016,505 0.529,506 0.912,507 0.973,508 0.994,509 0.911,510 0.889,511 0.632,512 0.88,513 0.981,514 1.213,515 1.008,516 1.131,517 0.92,518 1.082,519 1.221,520 0.984,521 1.032,522 0.942,523 1.372,524 0.955,525 0.859,526 1,527 0.869,528 0.967,529 0.936,530 0.926,531 1.11,532 0.928,533 1.013,534 0.942,535 1.255,536 0.962,537 0.781,538 1.135,539 1.005,540 1.146,541 0.815,542 1.108,543 1.07,544 0.924,545 0.966,546 0.953,547 1.158,548 0.948,549 6,550 0.201,551 3.333,552 2.514,553 1.939,554 1.206,555 0.901,556 0.647,557 0.462,558 0.275,559 16755,560 41158,561 2.145,562 43.3,564 23,565 1,568 2,572 1.765,573 2.04,574 3.573,575 -0.846,582 84.566,583 1.409,584 3.394,585 4.501,586 5.202,587 5.394,588 5.428,589 3.019,590 4.793,591 5.056,592 3.728,593 2091.48,594 8.899,595 31555.4,600 354.413,601 1.286,602 5.033,603 0.158,604 0.006,605 0.063,606 0.046,607 0.038,608 0.022,609 0.016,610 0.012,611 0.01,612 0.007,613 0.378,614 0.33,615 0.88,616 0.608,617 180.824,618 0.007,619 -0.139,620 0.064,621 -0.043,622 -0.021,623 0.005,624 -0.047,625 0.087,626 -0.013,627 0.062,628 -0.019,629 0.036,630 -0.053,631 -0.198,632 -0.08,633 -0.159,634 -0.005,635 -0.13,636 -0.079,637 0.03,638 -0.031,639 0.021,640 -0.088,641 0.005,642 0.045,643 -0.004,644 0.095,645 0.015,646 0.032,647 0.054,648 -0.05,649 0.074,650 -0.043,651 0.033,652 -0.097,653 0.001,654 0.085,655 -0.141,656 -0.056,657 -0.165,658 0.051,659 -0.131,660 0.215,661 0.05,662 0.062,663 0.024,664 0.187,665 0.024,666 1.777,667 6.276,668 0.794,669 36.505,670 0.996,671 1.11,672 3.433,673 11.783,674 0.692,675 3.664,676 3.989,677 4.29,678 4.575,679 4.852,680 4.956,681 5.159,682 5.333,683 5.421,684 5.521,685 7.224,686 0.658,687 450.57,688 3.664,689 5.209,690 6.071,691 6.954,692 7.836,693 8.729,694 9.621,695 10.521,696 11.421,697 12.325,698 3.3,701 1,706 1,714 2,715 14,720 4,721 1,722 22,739 1,741 60,743 25,744 3,745 38,747 64,748 29,749 20,750 5,751 13,752 4,756 5,757 6,767 1,770 1,772 24,773 5,777 3,782 2,784 1,786 3,793 26,794 4,796 5,802 2,808 0.8,809 3,824 1,828 1,829 4,832 1,841 1,849 1,850 1,855 1,859 4,864 1,868 34,876 4,878 1,881 1,893 5,896 2,898 1,901 16.667,902 11.15,903 7.5,904 3.55,907 4.255,908 1.514,909 1.017,910 6.33,911 12.526,912 3.97,913 4.577,914 5.203,915 5.806,916 6.384,917 6.737,918 7.227,919 7.67,920 7.953,921 8.316,922 1,923 55,924 12.625,926 5.436,927 0.026,929 7.691,931 24.256,933 20.194,936 2.191,937 74.5,941 306.049,942 193.991,943 5.023,945 61.29,948 193.991,949 367.338,950 5.023,951 10.883,952 8.852,953 141.715,954 60.128,955 36.582,956 13.915,957 294.278,959 306.049,960 199.014,961 61.29,964 306.049,965 61.29,968 13.875,969 175.663,970 9.476,972 306.049,973 66.313,974 193.991,977 306.049,978 41.393,979 157.621,981 61.29,982 306.049,983 66.313,984 193.991,986 0.577,987 0.343,988 0.187,989 0.108,990 26,991 11,992 0.078,993 5,994 1,995 1.074,996 4.465,997 330.474,998 0.074,999 27,1000 162.974,1005 22.183,1006 9.702,1007 4.715,1008 1.662,1009 64.414,1010 26.994,1015 3.379,1016 1.658,1018 566.352,1019 52,1024 26.1,1026 1.941,1028 0.805,1031 59.789,1032 66.607,1034 0.239,1035 0.575,1036 0.762,1037 0.881,1038 0.913,1039 0.919,1040 5.201,1041 1.753,1042 6.047,1043 5.843,1044 4.673,1045 5.265,1046 2.273,1047 6.864,1048 4.636,1049 6.409,1050 1.452,1051 7.605,1052 5.082,1053 4.205,1054 5.017,1055 0.325,1056 7.756,1057 4.153,1058 7.716,1059 1.414,1060 9.264,1061 3.822,1062 6.267,1063 7.482,1064 2.372,1065 10.889,1066 6.194,1067 9.061,1068 1.364,1069 10.984,1070 3.332,1071 6.648,1072 8.115,1073 0.504,1074 12.643,1075 6.56,1076 10.441,1077 1.012,1078 12.744,1079 3.036,1080 8.155,1081 10.025,1082 2.601,1083 15.297,1084 8.048,1085 11.846,1086 1,1087 14.532,1088 2.594,1089 8.936,1090 11.1,1091 0.585,1092 17.427,1093 8.812,1094 13.273,1095 1,1096 16.342,1097 2.136,1098 10.22,1099 12.779,1100 2.922,1101 19.925,1102 10.076,1103 3.284,1104 0.653,1105 18.168,1106 2.136,1107 11.199,1108 14.086,1109 0.622,1110 22.224,1111 11.032,1112 2.9,1113 11.559,1114 20.008,1115 1.527,1116 12.395,1117 15.669,1118 3.305,1119 24.673,1120 12.207,1121 2.759,1122 9.25,1123 21.859,1124 4.67,1125 13.469,1126 17.094,1127 0.639,1128 27.049,1129 13.255,1130 2.556,1131 8.793,1132 23.72,1133 3.72,1134 14.636,1135 18.642,1136 3.73,1137 29.487,1138 14.397,1139 2.356,1140 7.487,1141 25.59,1142 3.523,1143 15.758,1144 20.125,1145 0.646,1146 31.898,1147 15.49,1148 2.127,1149 6.846,1150 27.466,1151 3.443,1152 16.919,1153 21.662,1154 4.18,1155 34.335,1156 16.624,1157 2.024,1158 6.555,1159 29.349,1160 3.175,1161 18.065,1162 23.173,1163 0.648,1164 36.763,1165 17.739,1166 15645,1167 24669,1168 25.948,1169 41.512,1170 57.624,1171 59.4,1172 58.152,1173 56.784,1174 56.773,1175 76.355,1176 8.942,1177 162.874,1178 55.75,1179 5.715,1180 5.706,1181 6.696,1182 5.294,1183 5.284,1184 7.67,1185 2.555,1186 19.098,1187 5.196,1188 13.325,1189 1.516,1190 1.563,1191 1.53,1192 1.494,1193 1.494,1194 2.009,1195 0.235,1196 4.286,1197 1.467,1198 4.168,1199 4.194,1200 4.139,1201 4.08,1202 7.43,1203 4.091,1204 3.94,1205 3.98,1206 3.866,1207 3.861,1208 7.425,1209 3.856,1210 3.883,1211 3.909,1212 3.82,1213 3.827,1214 4.959,1215 3.821,1216 3.798,1217 3.833,1218 3.724,1219 3.685,1220 4.756,1221 3.691,1222 3.511,1223 3.543,1224 3.438,1225 3.347,1226 4.721,1227 3.36,1228 3.295,1229 3.343,1230 3.205,1231 3.129,1232 4.584,1233 3.142,1234 3.212,1235 3.271,1236 3.1,1237 3.04,1238 4.298,1239 3.04,1240 3.171,1241 3.237,1242 2.994,1243 2.925,1244 4.042,1245 2.932,1246 0.124,1247 0.098,1248 0.181,1249 0.112,1250 0.086,1251 4.715,1252 0.123,1253 3.706,1254 0.034,1255 6.894,1256 0.304,1257 4.257,1258 0.084,1259 3.284,1260 4.67,1261 1.277,1262 11.559,1263 3.196,1264 1.961,1265 1.941,1266 2.066,1267 2.061,1268 1.301,1269 2.062,1270 1.927,1271 1.896,1272 2.035,1273 2.044,1274 1.168,1275 2.041,1276 1.892,1277 1.869,1278 2,1279 1.969,1280 1.102,1281 1.98,1282 1.791,1283 1.758,1284 1.932,1285 1.917,1286 1.07,1287 1.926,1288 1.53,1289 1.484,1290 1.67,1291 1.71,1292 0.847,1293 1.698,1294 1.278,1295 1.234,1296 1.576,1297 1.541,1298 0.702,1299 1.551,1300 1.201,1301 1.139,1302 1.476,1303 1.427,1304 0.598,1305 1.44,1306 1.145,1307 1.072,1308 1.411,1309 1.374,1310 0.57,1311 1.397,1312 4.344,1314 5.666,1315 2.398,1316 7.189,1317 4.844,1318 8.799,1319 7.05,1320 10.454,1322 1.623,1328 2.612,1330 5.436,1333 2.289,1340 39.509,1341 84.566,1342 203.651,1343 270.043,1344 312.149,1345 323.659,1346 325.659,1347 59.56,1348 8.271,1349 51.54,1350 51.54,1351 29,1352 12.846,1353 4.7,1354 3.907,1355 49.737,1356 143,1357 164,1358 0.164,1359 239.503,1360 418.91,1361 576.146,1362 48301,1364 23.493,1365 0.691,1366 0.562,1367 23.493,1368 19.108,1369 16.619,1370 0.437,1371 0.3,1372 11.286,1373 16.142,1374 10.989,1375 9.109,1376 16.619,1377 11.411,1378 14.724,1379 0.278,1380 0.161,1381 14.724,1382 8.548,1383 12.908,1384 0.179,1385 0.087,1386 12.908,1387 6.268,1388 10.687,1389 0.111,1390 0.047,1391 10.687,1392 4.483,1393 9.115,1394 0.072,1395 0.025,1396 9.115,1397 3.211,1398 0.256,1399 103.131,1400 0.196,1401 31.245,1402 0.457,1403 182,1404 496.497,1405 194.026,1406 483.428,1407 664.59,1408 454,1409 216,1410 485.804,1411 229.305,1412 498.644,1413 729.08,1414 468,1415 4.097}
{0 CHEMBL131320,1 1.967,2 8.696,3 3.979,4 15.832,5 82.123,6 9.063,7 0.458,8 3.752,9 3.867,10 3.508,11 3.251,12 4.982,13 3.243,14 4.303,15 4.484,16 3.977,17 3.581,18 6.024,19 3.576,20 4.368,21 4.523,22 4.014,23 3.664,24 5.758,25 3.631,26 4.469,27 4.701,28 3.822,29 3.56,30 5.72,31 3.544,32 4.318,33 4.525,34 3.884,35 3.57,36 5.707,37 3.533,38 4.298,39 4.443,40 3.842,41 3.566,42 5.807,43 3.533,44 4.267,45 4.419,46 3.736,47 3.468,48 6.038,49 3.453,50 4.422,51 4.653,52 3.604,53 3.465,54 5.819,55 3.421,56 0.192,57 0.798,58 5.679,59 3.625,60 26.775,61 3.809,62 0.963,63 1.498,64 18.025,65 5.675,66 143.723,67 6.393,68 0.597,69 1.282,70 18.523,71 7.012,72 75.065,73 6.765,74 0.755,75 1.03,76 21.415,77 5.4,78 90.981,79 7.029,80 0.689,81 1.14,82 15.651,83 5.018,84 59.98,85 6.131,86 0.594,87 1.28,88 21.094,89 6.708,90 71.368,91 6.019,92 0.867,93 1.082,94 14.346,95 5.521,96 131.205,97 5.824,98 0.634,99 1.34,100 18.409,101 7.317,102 67.642,103 8.377,104 59,105 35,106 0.357,107 0.662,108 0.757,109 0.776,110 0.776,111 0.776,112 3.189,113 0.951,114 -5.09,115 -4.98,116 -4.67,121 36.8,122 1,126 2,127 1,134 1,144 4,145 2,151 1,161 1,164 1,168 1,176 7,179 5,180 4,187 8,191 2,192 6,200 5,205 2,206 8,214 2,219 6,227 2,232 7,239 2,244 5,251 1,256 2,264 1,269 2,281 736,282 14.378,283 14.378,284 14.378,285 14.378,286 14.378,287 13.003,288 12.87,289 8.189,290 15.08,291 11.801,292 11.801,293 11.801,294 11.801,295 11.801,296 9.599,297 10.758,298 3.892,299 13.04,300 3.281,301 1.6,302 1.079,303 0.974,304 0.974,305 0.974,306 3.838,310 1,311 1,312 1,313 401,314 4.062,317 70.358,318 81.989,325 1.388,326 41.044,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 53.5,338 200,339 4.501,340 4.57,341 6.636,342 4.083,343 3.17,344 4.184,345 3.02,346 10.59,347 2.934,348 4.107,349 4.143,350 6.392,351 3.88,352 3.075,353 3.634,354 2.95,355 9.944,356 2.665,357 4.073,358 3.694,359 6.091,360 3.716,361 2.741,362 3.099,363 1.678,364 8.782,365 2.409,366 3.706,367 2.909,368 5.475,369 3.328,370 2.372,371 3.046,372 0.527,373 6.716,374 2.279,375 3.435,376 2.636,377 5.026,378 3.075,379 2.146,380 2.659,382 5.995,383 1.967,384 2.744,385 2.398,386 4.361,387 2.3,388 1.429,389 1.835,391 3.936,392 1.226,393 2.599,394 2,395 4.241,396 2.228,397 1.284,398 1.618,400 3.597,401 1.204,402 2.5,403 1.683,404 3.414,405 2,406 1,407 1.5,409 2.275,410 1,411 2.066,412 1.236,413 3.321,414 1.531,415 0.543,416 0.722,418 1.34,419 0.507,420 1.69,421 1,422 3.142,423 1.331,424 0.496,425 0.604,427 1.197,428 0.418,429 1.117,430 0.51,431 2.566,432 0.783,433 -0.205,434 -0.256,436 -0.455,437 -0.202,438 0.5,439 0.51,440 2.45,441 0.106,442 -0.767,443 -0.873,445 -2,446 -0.641,447 0.482,448 0.289,449 2,451 -1,452 -1,454 -2.313,455 -0.7,456 0.196,457 0.021,458 2,459 -0.1,460 -1,461 -1,463 -2.94,464 -0.7,466 -0.456,467 2,468 -0.115,469 -1,470 -1,472 -3,473 -0.9,474 10.624,475 0.462,476 0.915,477 0.04,478 27,479 1.174,480 12,481 0.522,482 15,483 0.652,484 19.148,485 0.833,486 26.576,487 0.699,488 22.079,489 0.96,490 5.502,491 0.239,492 5.168,493 0.225,494 0.253,495 0.047,496 0.311,498 3,501 0.572,502 1.113,503 0.646,504 1.073,505 0.588,506 1.008,507 0.405,508 0.688,509 0.78,510 0.891,511 0.378,512 0.737,513 0.862,514 1.183,515 0.939,516 1.356,517 0.921,518 1.212,519 0.76,520 0.68,521 0.731,522 0.688,523 0.709,524 0.736,525 0.563,526 0.564,527 0.791,528 0.699,529 0.559,530 0.79,531 1.021,532 1.18,533 1.78,534 1.7,535 0.977,536 1.277,537 0.72,538 0.92,539 1.042,540 1.134,541 0.777,542 1.223,543 0.928,544 1.251,545 0.714,546 1.092,547 0.875,548 1.156,549 7,550 0.087,551 3.111,552 1.444,553 1.522,554 1.143,555 0.763,556 0.581,557 0.271,558 0.146,559 4735,560 19320,561 1.888,562 39.5,563 3,564 12,572 1.664,573 1.693,574 3.085,575 -0.601,577 1,582 74.76,583 1.967,584 3.648,585 4.168,586 4.274,587 4.274,588 4.274,589 2.562,590 4.056,591 4.491,592 3.267,593 826.432,594 7.769,595 9470.79,597 1,598 1,599 1,600 199.421,601 1.771,602 4.392,603 0.292,604 0.014,605 0.089,606 0.045,607 0.051,608 0.037,609 0.025,610 0.022,611 0.012,612 0.012,613 0.599,614 0.33,615 1,616 1.528,617 106.726,618 -0.017,619 -0.156,620 0.051,621 -0.067,622 -0.088,623 -0.059,624 0.458,625 0.324,626 0.213,627 0.151,628 0.43,629 0.207,630 -0.048,631 -0.185,632 0.049,633 -0.244,634 -0.113,635 -0.234,636 -0.089,637 -0.078,638 0.145,639 0.122,640 -0.062,641 0.197,642 0.145,643 0.288,644 0.116,645 0.22,646 0.056,647 0.12,648 -0.103,649 -0.107,650 -0.468,651 -0.365,652 -0.047,653 -0.314,654 0.273,655 0.085,656 -0.196,657 -0.178,658 0.277,659 -0.318,660 -0.02,661 -0.352,662 0.109,663 -0.222,664 0.046,665 -0.124,666 5.605,667 5.08,668 0.478,669 19.565,670 1.04,671 1.159,672 3.856,673 14.868,674 0.665,675 3.219,676 3.584,677 3.714,678 3.912,679 4.143,680 4.263,681 4.331,682 4.369,683 4.304,684 4.174,685 5.451,686 0.653,687 344.4,688 3.219,689 4.779,690 5.595,691 6.482,692 7.328,693 8.218,694 9.08,695 9.972,696 10.843,697 11.736,698 10.5,705 1,706 1,708 2,715 4,716 2,720 4,721 1,722 11,741 38,743 12,744 1,745 24,747 39,748 14,749 8,750 2,751 4,752 1,756 2,757 2,761 1,763 2,769 1,772 9,773 5,777 1,782 1,786 1,790 1,791 3,793 15,794 7,796 9,797 1,802 4,808 1,809 1,828 1,829 1,859 2,860 1,862 1,864 3,866 3,868 23,876 1,879 1,881 1,882 1,890 1,892 3,893 2.6,896 1,901 13.583,902 7.895,903 4.903,904 2.007,907 2.048,908 1.315,909 0.94,910 5.252,911 8.558,912 3.45,913 4.039,914 4.534,915 5.062,916 5.531,917 5.864,918 6.174,919 6.485,920 6.793,921 6.857,922 0.833,923 32,924 8.895,926 4.115,927 0.026,929 8.453,931 15.28,933 11.879,936 2.953,937 67.917,941 176.567,942 118.07,943 38.349,945 25.145,946 44.88,947 32.22,948 85.85,949 201.711,950 83.23,951 25.618,952 4.024,953 37.905,954 58.593,955 56.049,956 4.276,957 208.786,958 7.76,959 176.567,960 124.2,961 70.025,962 32.22,964 178.894,965 70.025,968 23.078,969 65.345,970 33.449,971 32.22,972 221.447,973 63.494,974 118.07,977 184.326,978 46.787,979 68.424,981 103.474,982 176.567,983 108.375,984 118.07,986 0.601,987 0.308,988 0.143,989 0.088,990 16,991 9,992 0.077,993 3,995 1,996 3.327,997 175.935,999 11,1000 93.287,1001 1,1005 17.675,1006 6.835,1007 4.647,1009 106.598,1010 7.194,1011 8.142,1015 1.792,1016 0.894,1018 403.011,1019 30.5,1024 12.08,1028 -0.555,1031 39.534,1032 44.048,1034 0.375,1035 0.695,1036 0.794,1037 0.814,1038 0.814,1039 0.814,1040 4.716,1041 1,1042 5.659,1043 3.597,1044 4.263,1045 4.723,1046 3.616,1047 6.497,1048 4.083,1049 5.961,1050 0.543,1051 7.255,1052 2.275,1053 4.205,1054 4.705,1055 3.192,1056 7.67,1057 3.855,1058 7.293,1059 0.496,1060 8.952,1061 1.34,1062 5.958,1063 6.892,1064 5.547,1065 10.59,1066 5.584,1067 8.655,1068 -0.205,1069 10.704,1070 1.197,1071 6.608,1072 7.599,1073 5.508,1074 12.468,1075 6.061,1076 10.043,1077 -0.767,1078 12.488,1079 -0.455,1080 7.951,1081 9.348,1082 7.663,1083 14.998,1084 7.365,1085 11.449,1086 -1,1087 14.293,1088 -2,1089 8.874,1090 10.387,1091 7.736,1092 17.137,1093 8.135,1094 12.867,1095 -1,1096 16.112,1097 -2.313,1098 10.078,1099 11.955,1100 9.826,1101 19.541,1102 9.281,1103 3.17,1104 -1,1105 17.942,1106 -2.94,1107 11.116,1108 13.169,1109 9.948,1110 21.788,1111 10.189,1112 3.075,1113 10.59,1114 19.779,1115 -3,1116 12.271,1117 14.654,1118 12.003,1119 24.146,1120 11.273,1121 2.741,1122 9.944,1123 21.623,1124 4.184,1125 13.36,1126 15.963,1127 12.158,1128 26.441,1129 12.25,1130 2.372,1131 8.782,1132 23.472,1133 3.634,1134 14.499,1135 17.411,1136 14.184,1137 28.784,1138 13.311,1139 2.146,1140 6.716,1141 25.325,1142 3.099,1143 15.612,1144 18.772,1145 14.369,1146 31.101,1147 14.325,1148 1.429,1149 5.995,1150 27.181,1151 3.046,1152 16.746,1153 20.204,1154 16.366,1155 33.44,1156 15.379,1157 1.284,1158 3.936,1159 29.04,1160 2.659,1161 17.872,1162 21.593,1163 16.579,1164 35.768,1165 16.414,1166 4957,1167 10234,1168 14.622,1169 25.267,1170 37.427,1171 39.947,1172 37.866,1173 36.695,1174 36.515,1175 45.799,1176 16.35,1177 108.742,1178 33.218,1179 5.366,1180 6.57,1181 6.05,1182 5.226,1183 5.17,1184 7.184,1185 5.97,1186 17.611,1187 4.934,1188 15.864,1189 1.559,1190 1.664,1191 1.578,1192 1.529,1193 1.521,1194 1.908,1195 0.681,1196 4.531,1197 1.384,1198 4.012,1199 4.057,1200 4.097,1201 3.906,1202 8.513,1203 3.908,1204 3.802,1205 3.847,1206 3.826,1207 3.638,1208 7.999,1209 3.64,1210 3.569,1211 3.625,1212 3.63,1213 3.336,1214 7.999,1215 3.338,1216 3.486,1217 3.563,1218 3.399,1219 3.231,1220 7.429,1221 3.253,1222 3.144,1223 3.224,1224 3.129,1225 2.971,1226 5.016,1227 2.965,1228 2.874,1229 3.009,1230 2.916,1231 2.735,1232 4.657,1233 2.715,1234 2.854,1235 2.925,1236 2.687,1237 2.618,1238 4.204,1239 2.571,1240 2.841,1241 2.872,1242 2.681,1243 2.534,1244 3.841,1245 2.57,1246 0.188,1247 0.19,1248 0.276,1249 0.17,1250 0.132,1251 4.501,1252 0.174,1253 4.57,1254 0.126,1255 6.636,1256 0.441,1257 4.083,1258 0.122,1259 3.17,1260 4.184,1261 3.02,1262 10.59,1263 2.934,1264 1.924,1265 1.897,1266 2.04,1267 2.003,1268 1.143,1269 2.016,1270 1.597,1271 1.541,1272 1.798,1273 1.892,1274 0.887,1275 1.859,1276 1.441,1277 1.395,1278 1.559,1279 1.691,1280 0.837,1281 1.667,1282 1.307,1283 1.246,1284 1.532,1285 1.533,1286 0.64,1287 1.526,1288 1.167,1289 1.093,1290 1.417,1291 1.477,1292 0.469,1293 1.449,1294 0.934,1295 0.848,1296 1.271,1297 1.239,1298 0.32,1299 1.308,1300 0.933,1301 0.821,1302 1.181,1303 1.203,1304 0.218,1305 1.195,1306 0.886,1307 0.804,1308 1.101,1309 1.062,1310 0.121,1311 1.107,1312 3.892,1314 5.242,1315 2.398,1316 6.749,1317 4.727,1318 8.323,1319 6.843,1320 9.935,1322 4.9,1324 37.3,1328 -1.139,1331 0.435,1333 1.227,1334 -4.355,1340 24.825,1341 74.76,1342 138.613,1343 158.402,1344 162.402,1345 162.402,1346 162.402,1347 59.08,1348 6.51,1349 51.02,1350 76.32,1351 11,1352 12.267,1353 3.7,1354 2.907,1355 44.936,1356 74,1357 78,1358 0.306,1359 158.611,1360 277.91,1361 378.771,1362 4480,1363 7.9,1364 17.198,1365 0.748,1366 0.59,1367 15.052,1368 13.572,1369 10.671,1370 0.445,1371 0.317,1372 6.533,1373 9.576,1374 6.21,1375 5.194,1376 9.978,1377 7.61,1378 10.878,1379 0.311,1380 0.172,1381 9.224,1382 6.019,1383 7.505,1384 0.188,1385 0.095,1386 7.464,1387 3.81,1388 5.433,1389 0.111,1390 0.048,1391 5.799,1392 2.362,1393 4.502,1394 0.073,1395 0.027,1396 4.705,1397 1.699,1398 0.465,1399 73.49,1400 0.262,1401 22.313,1402 0.883,1403 118,1404 581.51,1405 169.507,1406 497.303,1407 637.18,1408 458,1409 134,1410 427.494,1411 180.538,1412 424.926,1413 635.65,1414 393,1415 6.699}
{0 CHEMBL131411,1 1.435,2 17.526,3 6.551,4 42.918,5 148.522,6 6.982,7 0.439,8 4.375,9 4.488,10 3.882,11 3.898,12 5.431,13 3.87,14 4.93,15 5.105,16 4.22,17 4.265,18 5.976,19 4.214,20 5.198,21 5.412,22 4.293,23 4.401,24 6.171,25 4.333,26 5.257,27 5.48,28 4.259,29 4.4,30 6.288,31 4.311,32 5.245,33 5.483,34 4.166,35 4.39,36 6.198,37 4.282,38 5.21,39 5.439,40 4.118,41 4.359,42 6.166,43 4.241,44 5.218,45 5.464,46 4.011,47 4.289,48 6.11,49 4.166,50 5.07,51 5.293,52 3.963,53 4.237,54 5.953,55 4.119,56 0.019,57 0.99,58 16.223,59 7.303,60 9.382,61 9.498,62 0.381,63 1.602,64 30.623,65 11.743,66 41.115,67 15.896,68 0.41,69 1.967,70 41.746,71 14.873,72 50.446,73 20.219,74 0.72,75 2.017,76 45.09,77 15.813,78 82.7,79 21.65,80 0.551,81 1.998,82 44.584,83 15.922,84 74.318,85 21.943,86 0.472,87 1.934,88 42.495,89 15.796,90 71.506,91 21.708,92 0.677,93 1.882,94 44.289,95 15.163,96 76.332,97 20.781,98 0.476,99 1.683,100 37.073,101 13.6,102 51.245,103 18.493,104 35,105 55,106 0.222,107 0.519,108 0.728,109 0.857,110 0.885,111 0.885,112 3.667,113 0.974,114 -4.72,115 -4.64,116 -4.36,121 41.9,122 3,123 3,127 4,129 1,144 11,145 3,146 4,159 1,161 1,176 12,179 1,180 15,183 2,185 1,187 14,192 10,197 1,200 7,205 3,206 13,211 3,214 13,218 1,219 6,224 2,227 13,231 1,232 11,237 1,239 10,243 1,244 8,247 1,251 8,255 1,256 4,264 13,268 1,269 5,274 3,277 12,281 3120,282 25.783,283 25.783,284 25.783,285 25.783,286 25.783,287 23.401,288 33.294,289 15.704,290 26.299,291 20.249,292 20.249,293 20.249,294 20.249,295 20.249,296 16.527,297 46.017,298 7.472,299 21.067,300 4.774,301 2.86,302 1.508,303 0.673,304 0.49,305 0.49,306 4.363,312 1,313 1428,314 4.796,318 462.01,322 350.845,325 2.789,326 37.37,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 82,338 666,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 2.186,346 11.061,347 3.18,348 4.114,349 3.665,350 6.011,351 3.785,352 2.833,353 3.689,354 0.916,355 8.53,356 2.704,357 4.048,358 3.127,359 5.977,360 3.614,361 2.645,362 3.676,363 0.86,364 8.514,365 2.563,366 3.761,367 2.994,368 5.606,369 3.567,370 2.629,371 2.965,372 0.86,373 7.665,374 2.454,375 3.618,376 2.82,377 5.407,378 3.266,379 2.301,380 2.916,381 0.366,382 6.913,383 2.191,384 3.582,385 2.749,386 5.139,387 3.229,388 2.267,389 2.689,390 0.172,391 6.33,392 2.169,393 3.308,394 2.493,395 5.124,396 2.949,397 2.012,398 2.504,400 6.04,401 1.863,402 3.199,403 2.277,404 4.698,405 2.858,406 1.889,407 2.378,409 5.143,410 1.822,411 2.905,412 1.784,413 4.125,414 2.554,415 1.567,416 2.081,418 3.386,419 1.544,420 2.716,421 1.754,422 3.865,423 2.53,424 1.553,425 1.811,427 3.363,428 1.508,429 2.678,430 1.621,431 3.715,432 2.425,433 1.434,434 1.75,436 3.072,437 1.418,438 2.612,439 1.38,440 3.581,441 2.243,442 1.257,443 1.605,445 3.012,446 1.236,447 2.599,448 1.359,449 3.519,450 2.203,451 1.215,452 1.602,454 2.668,455 1.198,456 2.419,457 1.298,458 3.486,459 1.994,460 1.041,461 1.292,463 2.403,464 0.985,465 2.098,466 1.225,467 3.419,468 1.86,469 0.837,470 1.066,472 2.007,473 0.85,474 17.967,475 0.473,476 0.818,477 0.022,478 46.25,479 1.217,480 22.5,481 0.592,482 23.75,483 0.625,484 37.077,485 0.976,486 42.033,487 0.568,488 37.603,489 0.99,490 8.93,491 0.235,492 9.51,493 0.25,494 0.121,496 0.301,501 0.77,502 1.323,503 0.838,504 1.19,505 0.602,506 1.047,507 0.832,508 1.1,509 0.892,510 1.047,511 0.53,512 0.981,513 1.195,514 0.999,515 0.954,516 0.962,517 0.829,518 0.918,519 1.094,520 0.986,521 0.976,522 0.966,523 1.053,524 0.953,525 1.108,526 0.925,527 0.989,528 0.923,529 1.248,530 0.934,531 0.966,532 1.125,533 1.031,534 1.12,535 0.882,536 1.094,537 1.305,538 0.87,539 1.09,540 0.902,541 1.043,542 0.956,543 1.171,544 1.037,545 1.125,546 1.04,547 0.861,548 1.076,549 7,550 0.235,551 3.333,552 2.625,553 2.173,554 0.979,555 0.728,556 0.464,557 0.398,558 0.244,559 26351,560 64724,561 2.053,562 48.6,563 5,564 20,567 1,569 8,570 2,572 1.782,573 1.932,574 4.045,575 -0.427,582 106.193,583 1.435,584 3.349,585 4.701,586 5.537,587 5.719,588 5.719,589 3.55,590 4.985,591 5.219,592 4.247,593 2985.7,594 9.163,595 54165.3,600 459.5,601 1.359,602 5.183,603 0.171,604 0.006,605 0.061,606 0.045,607 0.04,608 0.02,609 0.016,610 0.011,611 0.01,612 0.006,613 0.386,614 0.17,615 0.75,616 1.437,617 217.381,618 -0.008,619 -0.134,620 0.058,621 -0.072,622 -0.031,623 -0.008,624 0.13,625 0.011,626 0.066,627 -0.02,628 0.145,629 0.01,630 -0.092,631 0.034,632 0.042,633 0.023,634 0.006,635 0.054,636 0.062,637 0.007,638 0.033,639 0.009,640 0.072,641 0.016,642 -0.072,643 0.058,644 0.007,645 0.055,646 -0.089,647 0.046,648 0.006,649 -0.146,650 -0.052,651 -0.122,652 -0.007,653 -0.101,654 -0.118,655 0.085,656 -0.069,657 0.053,658 -0.113,659 0.006,660 -0.111,661 -0.05,662 -0.136,663 -0.046,664 -0.105,665 -0.091,666 2.088,667 5.741,668 0.526,669 51.496,670 0.998,671 1.123,672 3.492,673 12.192,674 0.652,675 3.738,676 4.025,677 4.263,678 4.511,679 4.745,680 4.82,681 4.927,682 5.056,683 5.124,684 5.05,685 9.918,686 0.616,687 516.69,688 3.738,689 5.263,690 6.094,691 6.956,692 7.808,693 8.679,694 9.542,695 10.419,696 11.289,697 12.171,698 2.7,701 1,705 1,715 11,720 7,722 18,727 1,737 1,739 2,741 74,743 20,744 3,745 41,747 77,748 31,749 18,750 7,751 11,752 1,756 4,757 7,763 3,770 4,772 20,773 11,777 2,782 2,786 2,793 36,794 7,795 1,796 7,802 2,808 0.5,809 5,829 4,833 2,855 1,859 2,864 3,868 38,876 7,877 1,878 3,880 1,881 1,893 6.8,896 2,898 3,901 19.667,902 14.033,903 8.556,904 4.871,907 3.5,908 1.422,909 0.953,910 9.939,911 11.799,912 3.97,913 4.494,914 5.006,915 5.547,916 6.07,917 6.286,918 6.621,919 6.98,920 7.266,921 7.419,922 0.917,923 58,924 14.118,926 5.881,927 0.026,929 7.706,931 27.151,933 21.844,936 2.206,937 83.833,941 411.989,942 191.654,943 21.135,945 83.29,948 191.654,949 495.278,950 21.135,951 26.476,952 36.524,953 104.239,954 55.423,955 66.654,956 6.763,957 411.989,959 411.989,960 212.789,961 83.29,964 294.278,965 201.001,968 66.124,969 146.665,972 411.989,973 104.425,974 191.654,977 411.989,978 60.94,979 133.839,980 18.011,981 83.29,982 411.989,983 104.425,984 191.654,986 0.568,987 0.323,988 0.174,989 0.096,990 23,991 11,992 0.169,993 13,994 2,995 1.2,996 4.951,997 345.096,998 0.2,999 20,1000 197.421,1005 27.842,1006 13.565,1007 7.676,1009 104.425,1010 20.298,1015 4.516,1017 18.011,1018 708.067,1019 52,1024 24.73,1028 -0.456,1031 73.861,1032 83.102,1034 0.231,1035 0.539,1036 0.757,1037 0.892,1038 0.921,1039 0.921,1040 5.196,1041 1.889,1042 6.057,1043 6.04,1044 4.71,1045 5.182,1046 2.639,1047 6.83,1048 4.635,1049 6.366,1050 1.567,1051 7.589,1052 5.143,1053 4.205,1054 4.879,1055 1.847,1056 7.653,1057 4.1,1058 7.647,1059 1.553,1060 9.224,1061 3.386,1062 6.26,1063 7.272,1064 3.582,1065 10.76,1066 6.115,1067 8.962,1068 1.434,1069 10.92,1070 3.363,1071 6.581,1072 7.783,1073 3.603,1074 12.434,1075 6.418,1076 10.311,1077 1.257,1078 12.657,1079 3.072,1080 8.088,1081 9.664,1082 4.922,1083 15.062,1084 7.894,1085 11.684,1086 1.215,1087 14.422,1088 3.012,1089 8.815,1090 10.578,1091 5.291,1092 17.116,1093 8.614,1094 13.076,1095 1.041,1096 16.209,1097 2.668,1098 10.092,1099 12.229,1100 6.39,1101 19.584,1102 9.87,1103 3.215,1104 0.837,1105 18.013,1106 2.403,1107 11.026,1108 13.36,1109 6.93,1110 21.817,1111 10.801,1112 2.833,1113 11.061,1114 19.831,1115 2.007,1116 12.209,1117 14.896,1118 7.902,1119 24.233,1120 11.971,1121 2.645,1122 8.53,1123 21.66,1124 4.198,1125 13.247,1126 16.15,1127 8.539,1128 26.552,1129 13.009,1130 2.629,1131 8.514,1132 23.5,1133 3.689,1134 14.396,1135 17.626,1136 9.436,1137 28.952,1138 14.15,1139 2.301,1140 7.665,1141 25.348,1142 3.676,1143 15.488,1144 18.949,1145 10.13,1146 31.313,1147 15.241,1148 2.267,1149 6.913,1150 27.204,1151 2.965,1152 16.628,1153 20.395,1154 10.981,1155 33.711,1156 16.377,1157 2.012,1158 6.33,1159 29.066,1160 2.916,1161 17.748,1162 21.759,1163 11.71,1164 36.092,1165 17.495,1166 25223,1167 39797,1168 27.334,1169 48.228,1170 60.098,1171 62.578,1172 61.838,1173 59.56,1174 59.522,1175 74.696,1176 10.723,1177 164.346,1178 57.385,1179 5.491,1180 5.692,1181 6.684,1182 5.302,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.18,1188 19.573,1189 1.466,1190 1.526,1191 1.508,1192 1.453,1193 1.452,1194 1.822,1195 0.262,1196 4.008,1197 1.4,1198 4.051,1199 4.06,1200 4.015,1201 3.966,1202 7.435,1203 3.976,1204 3.946,1205 3.976,1206 3.884,1207 3.86,1208 7.427,1209 3.861,1210 3.784,1211 3.815,1212 3.716,1213 3.711,1214 4.947,1215 3.708,1216 3.724,1217 3.783,1218 3.606,1219 3.562,1220 4.813,1221 3.56,1222 3.701,1223 3.765,1224 3.555,1225 3.543,1226 4.708,1227 3.531,1228 3.491,1229 3.558,1230 3.328,1231 3.328,1232 4.391,1233 3.314,1234 3.413,1235 3.465,1236 3.297,1237 3.131,1238 4.317,1239 3.168,1240 3.227,1241 3.265,1242 3.142,1243 3.063,1244 4.261,1245 3.08,1246 0.111,1247 0.09,1248 0.165,1249 0.103,1250 0.078,1251 4.553,1252 0.102,1253 3.692,1254 0.053,1255 6.774,1256 0.27,1257 4.203,1258 0.078,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.059,1267 2.085,1268 1.295,1269 2.074,1270 1.915,1271 1.888,1272 2.043,1273 2.034,1274 1.254,1275 2.039,1276 1.776,1277 1.752,1278 1.972,1279 1.919,1280 1.166,1281 1.932,1282 1.707,1283 1.643,1284 1.933,1285 1.885,1286 1.112,1287 1.906,1288 1.694,1289 1.625,1290 1.886,1291 1.848,1292 1.044,1293 1.863,1294 1.503,1295 1.435,1296 1.794,1297 1.699,1298 0.971,1299 1.734,1300 1.313,1301 1.251,1302 1.608,1303 1.618,1304 0.754,1305 1.61,1306 1.178,1307 1.138,1308 1.455,1309 1.407,1310 0.653,1311 1.424,1312 4.419,1314 5.714,1316 7.203,1318 8.791,1320 10.438,1322 6.407,1328 5.499,1329 2.772,1330 17.378,1332 0.333,1333 2.357,1340 45.572,1341 106.193,1342 247.843,1343 347.897,1344 409.725,1345 423.235,1346 423.235,1347 82.59,1348 8.299,1349 81.01,1350 81.01,1351 24,1352 12.709,1353 4.392,1354 3.585,1355 68.091,1356 229,1357 256,1358 0.14,1359 279.928,1360 499.63,1361 674.784,1362 59719,1364 26.907,1365 0.708,1366 0.589,1367 26.907,1368 22.366,1369 18.44,1370 0.45,1371 0.325,1372 13.147,1373 17.752,1374 12.775,1375 10.691,1376 18.44,1377 13.314,1378 16.166,1379 0.294,1380 0.176,1381 16.166,1382 9.669,1383 13.018,1384 0.186,1385 0.092,1386 13.018,1387 6.432,1388 10.789,1389 0.12,1390 0.048,1391 10.789,1392 4.301,1393 8.688,1394 0.076,1395 0.026,1396 8.688,1397 2.926,1398 0.231,1399 115.364,1400 0.191,1401 35.489,1402 0.355,1403 192,1404 568.656,1405 212.743,1406 536.79,1407 732.97,1408 504,1409 221,1410 540.428,1411 240.778,1412 539.953,1413 791.27,1414 509,1415 7}
{0 CHEMBL131536,1 1.796,2 9.792,3 4.726,4 22.338,5 96.214,6 9.202,7 0.654,8 3.773,9 3.878,10 3.572,11 3.404,12 4.951,13 3.359,14 4.246,15 4.398,16 3.932,17 3.737,18 5.418,19 3.684,20 4.383,21 4.539,22 4,23 3.813,24 5.613,25 3.752,26 4.473,27 4.66,28 3.941,29 3.731,30 5.739,31 3.694,32 4.435,33 4.639,34 3.881,35 3.75,36 5.6,37 3.674,38 4.385,39 4.559,40 3.896,41 3.754,42 5.616,43 3.648,44 4.277,45 4.44,46 3.738,47 3.714,48 5.429,49 3.583,50 4.315,51 4.545,52 3.585,53 3.648,54 5.285,55 3.466,56 0.057,57 0.59,58 5.545,59 3.287,60 4.71,61 3.82,62 0.287,63 0.956,64 15.606,65 5.711,66 13.162,67 6.572,68 0.227,69 1.017,70 16.384,71 6.404,72 23.485,73 7.537,74 0.438,75 1.126,76 19.828,77 6.163,78 43.047,79 6.425,80 0.304,81 1.092,82 17.415,83 6.519,84 33.519,85 7.107,86 0.402,87 1.027,88 22.59,89 7.365,90 42.86,91 6.881,92 0.251,93 0.901,94 18.026,95 6.884,96 26.464,97 7.116,98 0.23,99 0.86,100 22.86,101 7.779,102 27.434,103 9.283,104 18,105 36,106 0.317,107 0.605,108 0.713,109 0.806,110 0.819,111 0.819,112 3.229,113 1.016,114 -5.99,115 -5.85,116 -5.44,121 43.6,126 2,144 9,145 1,146 2,151 1,161 1,164 1,168 1,176 8,179 5,180 6,187 10,191 2,192 8,200 6,205 2,206 13,214 2,219 10,227 2,232 12,239 4,244 8,251 4,256 1,264 8,269 2,277 9,281 834,282 16.215,283 16.215,284 16.215,285 16.215,286 16.215,287 14.114,288 13.116,289 9.517,290 16.881,291 12.728,292 12.728,293 12.728,294 12.728,295 12.728,296 9.501,297 14.127,298 4.426,299 13.708,300 3.489,301 1.861,302 1.251,303 0.725,304 0.654,305 0.654,306 3.906,308 1,311 1,312 1,313 499,314 3.162,317 70.092,318 169.274,325 1.559,326 20.808,328 1,329 0.75,330 0.83,331 1,332 0.6,334 1,335 1,336 0.74,337 51.333,338 235,339 4.514,340 4.378,341 6.71,342 4.113,343 3.181,344 4.188,345 2.95,346 10.791,347 2.966,348 4.166,349 3.74,350 6.22,351 3.814,352 2.857,353 3.678,354 1.678,355 9.22,356 2.735,357 3.961,358 2.987,359 5.916,360 3.522,361 2.583,362 3.514,363 0.527,364 8.175,365 2.424,366 3.618,367 2.816,368 5.105,369 3.146,370 2.239,371 2.99,373 6.088,374 1.994,375 3.369,376 2.671,377 5.006,378 2.921,379 1.992,380 2.619,382 5.611,383 1.789,384 2.911,385 2.438,386 4.264,387 2.462,388 1.509,389 2.055,391 3.754,392 1.426,393 2.741,394 1.743,395 4.217,396 2.228,397 1.329,398 1.833,400 3.553,401 1.156,402 2.5,403 1.686,404 3.603,405 2,406 1,407 1.5,409 2.566,410 1,411 2.5,412 1.275,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.39,421 1.03,422 3.247,423 1.934,424 0.984,425 1.328,427 2.136,428 0.926,429 1.855,430 1,431 3.093,432 1.389,433 0.372,434 0.513,436 0.88,437 0.37,438 1.494,439 1,440 2.696,441 1.102,442 0.317,443 0.363,445 0.467,446 0.245,447 1.112,448 0.393,449 2.518,450 0.628,451 -0.213,452 -0.267,454 -0.465,455 -0.144,456 0.651,457 0.209,458 2.145,459 0.225,460 -0.75,461 -0.964,463 -1.609,464 -0.727,465 0.5,466 -0.455,467 2,469 -1,470 -1.196,472 -2.347,473 -0.815,474 11.981,475 0.499,476 0.575,477 0.024,478 34,479 1.417,480 18.5,481 0.771,482 15.5,483 0.646,484 17.578,485 0.732,486 24.619,487 0.631,488 23.904,489 0.996,490 6.621,491 0.276,492 4.976,493 0.207,494 0.171,496 0.317,501 0.621,502 1.238,503 0.598,504 0.872,505 0.58,506 0.848,507 0.563,508 1.08,509 0.851,510 1.016,511 0.566,512 0.833,513 0.938,514 1.287,515 0.858,516 1.018,517 0.867,518 0.985,519 1.604,520 1.118,521 0.919,522 0.882,523 1.642,524 0.906,525 1.369,526 1.016,527 0.743,528 0.751,529 1.304,530 0.825,531 1.553,532 1.014,533 1.285,534 1.166,535 1.687,536 0.979,537 1.146,538 1.086,539 1.23,540 1.272,541 1.292,542 1.18,543 0.723,544 0.884,545 0.81,546 0.982,547 0.868,548 1.079,549 4.5,550 0.049,551 3.111,552 1.757,553 1.553,554 0.99,555 0.462,556 0.397,557 0.23,558 0.071,559 6027,560 19493,561 2.04,562 38.5,564 15,572 1.672,573 1.895,574 3.284,575 -0.699,582 70.04,583 1.796,584 3.425,585 4.034,586 4.561,587 4.631,588 4.631,589 2.772,590 3.939,591 4.554,592 3.391,593 935.956,594 7.876,595 10845.1,597 1,600 206.131,601 1.459,602 4.507,603 0.173,604 0.005,605 0.086,606 0.047,607 0.046,608 0.031,609 0.015,610 0.015,611 0.011,612 0.005,613 0.435,614 0.33,615 0.88,616 0.813,617 113.312,618 0.041,619 -0.15,620 0.042,621 -0.032,622 -0.075,623 -0.028,624 0.291,625 0.033,626 0.015,627 -0.055,628 0.081,629 0.046,630 0.057,631 -0.269,632 0.002,633 -0.138,634 0.092,635 -0.098,636 -0.211,637 -0.023,638 -0.093,639 -0.045,640 -0.138,641 -0.072,642 -0.254,643 0.06,644 0.028,645 0.146,646 -0.105,647 0.068,648 -0.256,649 0.097,650 -0.188,651 -0.021,652 -0.142,653 -0.055,654 -0.174,655 -0.052,656 -0.222,657 -0.168,658 -0.159,659 -0.225,660 -0.001,661 0.007,662 0.105,663 0.047,664 -0.066,665 -0.008,666 1.932,667 5.776,668 0.708,669 19.875,670 1.011,671 1.117,672 4.764,673 22.693,674 0.732,675 3.296,676 3.611,677 3.892,678 4.111,679 4.304,680 4.344,681 4.382,682 4.443,683 4.511,684 4.419,685 5.718,686 0.692,687 358.88,688 3.296,689 4.828,690 5.68,691 6.553,692 7.425,693 8.305,694 9.185,695 10.069,696 10.953,697 11.841,698 10.3,705 1,706 1,708 2,715 9,716 2,720 5,721 1,722 17,740 1,741 39,743 18,744 2,745 26,747 41,748 17,749 14,750 3,751 9,752 1,756 3,757 3,758 1,761 1,772 15,773 2,777 1,782 1,786 1,793 15,794 4,796 7,797 2,802 4,808 1,809 1,828 1,829 2,859 3,860 1,862 1,864 2,865 1,868 24,879 1,881 1,890 1,892 1,893 2.6,896 1,901 12.667,902 7.776,903 5.389,904 2.105,907 2.85,908 1.416,909 0.981,910 5.119,911 9.695,912 3.597,913 4.193,914 4.786,915 5.333,916 5.796,917 6.011,918 6.32,919 6.665,920 7.016,921 7.168,922 0.857,923 37,924 8.821,926 3.672,927 0.026,929 7.789,931 16.604,933 13.096,936 2.289,937 54.944,941 176.567,942 149.832,943 38.349,944 39.149,945 25.145,947 32.22,948 117.613,949 240.86,950 38.349,951 15.587,952 3.124,953 85.286,954 58.593,955 14.24,956 4.276,957 208.786,958 39.149,959 176.567,960 155.962,961 25.145,962 71.368,964 178.894,965 25.145,968 5.594,969 114.592,970 72.597,971 32.22,972 176.567,973 63.494,974 188.981,977 176.567,978 48.959,979 105.774,981 97.742,982 176.567,983 63.494,984 188.981,986 0.579,987 0.349,988 0.183,989 0.101,990 17,991 8,992 0.073,993 3,995 1,996 3.557,997 193.473,999 17,1000 102.039,1001 1,1005 16.869,1006 7.283,1007 3.602,1009 61.718,1010 16.617,1011 8.828,1015 3.267,1016 1.321,1018 429.042,1019 35.5,1024 12.776,1028 -0.265,1031 39.436,1032 43.558,1034 0.34,1035 0.648,1036 0.763,1037 0.863,1038 0.876,1039 0.876,1040 4.814,1041 1,1042 5.666,1043 3.553,1044 4.29,1045 4.879,1046 3.158,1047 6.482,1048 4.159,1049 6.024,1050 1,1051 7.235,1052 2.566,1053 3.892,1054 4.605,1055 1.305,1056 7.405,1057 3.641,1058 7.328,1059 0.984,1060 8.906,1061 2.275,1062 5.889,1063 7.056,1064 5.094,1065 10.513,1066 5.637,1067 8.67,1068 0.372,1069 10.636,1070 2.136,1071 6.33,1072 7.611,1073 2.419,1074 12.26,1075 5.966,1076 10.044,1077 0.317,1078 12.404,1079 0.88,1080 7.789,1081 9.506,1082 7.204,1083 14.888,1084 7.417,1085 11.44,1086 -0.213,1087 14.199,1088 0.467,1089 8.6,1090 10.453,1091 3.517,1092 16.968,1093 8.128,1094 12.854,1095 -0.75,1096 16.012,1097 -0.465,1098 9.853,1099 12.102,1100 9.354,1101 19.429,1102 9.356,1103 3.181,1104 -1,1105 17.838,1106 -1.609,1107 10.836,1108 13.257,1109 4.595,1110 21.656,1111 10.249,1112 2.857,1113 10.791,1114 19.676,1115 -2.347,1116 12.009,1117 14.785,1118 11.513,1119 24.056,1120 11.381,1121 2.583,1122 9.22,1123 21.522,1124 4.188,1125 13.073,1126 16.055,1127 5.656,1128 26.353,1129 12.362,1130 2.239,1131 8.175,1132 23.374,1133 3.678,1134 14.217,1135 17.524,1136 13.675,1137 28.73,1138 13.454,1139 1.992,1140 6.088,1141 25.232,1142 3.514,1143 15.319,1144 18.859,1145 6.706,1146 31.061,1147 14.478,1148 1.509,1149 5.611,1150 27.095,1151 2.99,1152 16.457,1153 20.3,1154 15.839,1155 33.431,1156 15.554,1157 1.329,1158 3.754,1159 28.962,1160 2.619,1161 17.578,1162 21.672,1163 7.75,1164 35.782,1165 16.601,1166 5916,1167 10790,1168 17.107,1169 28.551,1170 39.267,1171 42.95,1172 40.67,1173 38.92,1174 38.728,1175 52.164,1176 10.31,1177 111.032,1178 36.062,1179 5.354,1180 6.378,1181 6.512,1182 5.175,1183 5.181,1184 7.188,1185 5.9,1186 18.193,1187 4.966,1188 12.074,1189 1.51,1190 1.652,1191 1.564,1192 1.497,1193 1.49,1194 2.006,1195 0.397,1196 4.27,1197 1.387,1198 4.017,1199 4.061,1200 4.1,1201 3.902,1202 7.429,1203 3.906,1204 3.895,1205 3.928,1206 3.944,1207 3.826,1208 5.043,1209 3.822,1210 3.744,1211 3.784,1212 3.828,1213 3.593,1214 4.871,1215 3.594,1216 3.371,1217 3.441,1218 3.487,1219 3.172,1220 4.755,1221 3.166,1222 3.163,1223 3.244,1224 3.359,1225 3.065,1226 4.249,1227 2.992,1228 2.937,1229 2.976,1230 3.089,1231 2.765,1232 4.034,1233 2.759,1234 2.854,1235 2.925,1236 2.715,1237 2.735,1238 3.88,1239 2.715,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.174,1247 0.168,1248 0.258,1249 0.158,1250 0.122,1251 4.514,1252 0.161,1253 4.378,1254 0.113,1255 6.71,1256 0.415,1257 4.113,1258 0.114,1259 3.181,1260 4.188,1261 2.95,1262 10.791,1263 2.966,1264 1.897,1265 1.872,1266 2.017,1267 2.014,1268 1.085,1269 2.013,1270 1.891,1271 1.863,1272 1.975,1273 1.963,1274 1.078,1275 1.974,1276 1.504,1277 1.46,1278 1.654,1279 1.764,1280 0.734,1281 1.73,1282 1.303,1283 1.247,1284 1.537,1285 1.496,1286 0.676,1287 1.551,1288 1.159,1289 1.103,1290 1.291,1291 1.409,1292 0.316,1293 1.405,1294 1.036,1295 0.944,1296 1.182,1297 1.295,1298 0.258,1299 1.288,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 3.97,1314 5.283,1315 2.398,1316 6.795,1317 4.727,1318 8.387,1319 6.843,1320 10.021,1322 3.577,1323 5.912,1331 1.371,1333 1.542,1340 26.976,1341 70.04,1342 133.562,1343 157.337,1344 177.866,1345 180.621,1346 180.621,1347 37.23,1348 6.845,1349 51.02,1350 76.32,1351 17,1352 12.372,1353 4.248,1354 3.392,1355 39.147,1356 80,1357 88,1358 0.238,1359 175.951,1360 295.63,1361 421.08,1362 7502,1363 2.6,1364 17.104,1365 0.713,1366 0.615,1367 17.958,1368 14.752,1369 11.597,1370 0.446,1371 0.339,1372 7.243,1373 10.446,1374 6.85,1375 5.741,1376 12.443,1377 8.803,1378 10.2,1379 0.283,1380 0.173,1381 11.075,1382 6.228,1383 8.936,1384 0.186,1385 0.091,1386 9.721,1387 4.355,1388 6.937,1389 0.116,1390 0.046,1391 7.6,1392 2.775,1393 5.49,1394 0.075,1395 0.026,1396 6.192,1397 1.89,1398 0.367,1399 80.885,1400 0.242,1401 23.288,1402 0.674,1403 124,1404 387.38,1405 171.335,1406 429.109,1407 577.73,1408 400,1409 146,1410 396.07,1411 184.635,1412 422.629,1413 618.13,1414 394,1415 5.854}
{0 CHEMBL131579,1 1.477,2 15.571,3 5.223,4 27.275,5 134.649,6 7.302,7 0.474,8 4.26,9 4.366,10 3.807,11 3.785,12 5.362,13 3.769,14 4.799,15 4.964,16 4.156,17 4.149,18 5.901,19 4.118,20 5.048,21 5.235,22 4.234,23 4.292,24 6.092,25 4.245,26 5.131,27 5.337,28 4.177,29 4.304,30 6.206,31 4.225,32 5.122,33 5.354,34 4.074,35 4.31,36 6.068,37 4.198,38 5.118,39 5.351,40 4.008,41 4.277,42 6.043,43 4.147,44 5.125,45 5.384,46 3.893,47 4.173,48 5.985,49 4.041,50 4.936,51 5.16,52 3.82,53 4.064,54 5.841,55 3.954,56 0.027,57 0.872,58 13.457,59 6.264,60 8.207,61 7.875,62 0.395,63 1.406,64 25.851,65 9.995,66 37.967,67 13.083,68 0.394,69 1.705,70 34.671,71 12.838,72 45.005,73 16.601,74 0.742,75 1.787,76 39.089,77 14.106,78 80.827,79 18.569,80 0.471,81 1.806,82 38.679,83 14.647,84 63.539,85 19.944,86 0.429,87 1.796,88 38.262,89 14.717,90 61.341,91 20.252,92 0.63,93 1.735,94 40.784,95 14.052,96 67.002,97 19.39,98 0.512,99 1.457,100 32.626,101 11.649,102 52.635,103 15.515,104 32,105 52,106 0.234,107 0.547,108 0.751,109 0.849,110 0.881,111 0.881,112 3.588,113 0.928,114 -4.14,115 -4.09,116 -3.87,121 43.1,122 2,123 1,126 1,127 3,129 1,144 11,145 3,146 4,159 1,161 1,176 10,179 1,180 15,183 2,187 13,192 10,200 7,205 3,206 11,211 2,214 13,218 1,219 4,224 2,227 13,231 1,232 9,237 1,239 8,243 1,244 8,247 1,251 4,255 1,256 4,264 8,268 1,269 4,274 3,277 9,281 2307,282 23.662,283 23.662,284 23.662,285 23.662,286 23.662,287 21.279,288 31.713,289 14.08,290 24.195,291 18.711,292 18.711,293 18.711,294 18.711,295 18.711,296 14.966,297 43.517,298 6.641,299 19.514,300 4.545,301 2.572,302 1.29,303 0.673,304 0.466,305 0.466,306 4.284,312 1,313 1174,314 4.472,318 410.697,322 310.237,325 2.269,326 34.987,329 1,330 0.67,331 0.83,332 1,333 0.5,334 1,335 1,336 0.86,337 76,338 545,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 2.186,346 11.061,347 3.18,348 4.114,349 3.66,350 6.011,351 3.785,352 2.832,353 3.689,354 0.916,355 8.53,356 2.704,357 4.048,358 3.127,359 5.977,360 3.613,361 2.645,362 3.676,363 0.86,364 8.514,365 2.563,366 3.757,367 2.994,368 5.603,369 3.563,370 2.626,371 2.965,372 0.86,373 7.652,374 2.452,375 3.617,376 2.82,377 5.407,378 3.24,379 2.277,380 2.908,381 0.366,382 6.913,383 2.172,384 3.569,385 2.748,386 5.125,387 3.227,388 2.263,389 2.682,390 0.172,391 6.259,392 2.159,393 3.308,394 2.493,395 5.122,396 2.949,397 2.011,398 2.503,400 6.04,401 1.862,402 3.189,403 2.276,404 4.656,405 2.82,406 1.844,407 2.369,409 4.968,410 1.787,411 2.905,412 1.754,413 4.125,414 2.532,415 1.562,416 2.081,418 3.386,419 1.509,420 2.716,421 1.621,422 3.865,423 2.425,424 1.434,425 1.811,427 3.362,428 1.418,429 2.669,430 1.38,431 3.715,432 2.243,433 1.257,434 1.743,436 3.072,437 1.236,438 2.599,439 1.359,440 3.532,441 2.206,442 1.218,443 1.602,445 2.682,446 1.2,447 2.419,448 1.298,449 3.492,450 1.994,451 1.041,452 1.292,454 2.404,455 0.985,456 2.098,457 1.225,458 3.419,459 1.86,460 0.837,461 1.066,463 2.007,464 0.85,465 1.519,466 1.101,467 2.988,468 1.309,469 0.389,470 0.417,472 0.897,473 0.353,474 16.467,475 0.47,476 0.818,477 0.023,478 44.75,479 1.279,480 22.5,481 0.643,482 22.25,483 0.636,484 31.239,485 0.893,486 38.133,487 0.587,488 36.172,489 1.033,490 8.989,491 0.257,492 7.951,493 0.227,494 0.132,496 0.328,501 0.774,502 1.306,503 0.791,504 1.159,505 0.602,506 1.004,507 0.858,508 1.009,509 0.851,510 0.968,511 0.544,512 0.906,513 1.225,514 1.016,515 0.981,516 0.997,517 0.842,518 0.947,519 1.113,520 0.969,521 1.031,522 0.975,523 1.089,524 0.988,525 0.86,526 0.972,527 0.961,528 0.986,529 0.977,530 0.993,531 0.724,532 1.148,533 1.005,534 1.161,535 0.613,536 1.141,537 1.031,538 0.864,539 1.003,540 0.906,541 0.727,542 0.944,543 1.206,544 1.011,545 1.137,546 1.014,547 0.881,548 1.061,549 7,550 0.19,551 3.333,552 2.5,553 2.093,554 0.924,555 0.728,556 0.448,557 0.366,558 0.218,559 20620,560 55597,561 2.058,562 46.2,564 21,567 1,569 6,570 2,572 1.762,573 1.927,574 3.895,575 -0.401,582 96.032,583 1.477,584 3.451,585 4.733,586 5.349,587 5.557,588 5.557,589 3.347,590 4.822,591 5.104,592 4.086,593 2431.39,594 8.929,595 40770.5,600 391.454,601 1.404,602 5.06,603 0.184,604 0.006,605 0.064,606 0.045,607 0.042,608 0.02,609 0.018,610 0.012,611 0.011,612 0.006,613 0.409,614 0.33,615 0.88,616 1.077,617 194.148,618 -0.02,619 -0.147,620 0.058,621 -0.08,622 -0.045,623 -0.01,624 0.108,625 0.095,626 0.085,627 0.036,628 0.13,629 0.057,630 -0.124,631 0.014,632 -0.005,633 -0.007,635 0.017,636 0.023,637 0.013,638 -0.033,639 0.008,640 0.034,641 -0.018,642 -0.027,643 0.001,644 0.006,645 0.012,646 -0.045,647 0.013,648 0.048,649 -0.181,650 -0.047,651 -0.159,652 0.021,653 -0.127,654 -0.047,655 0.074,656 0.015,657 0.052,658 -0.033,659 0.044,660 -0.126,661 -0.047,662 -0.136,663 -0.037,664 -0.112,665 -0.083,666 2.152,667 5.703,668 0.571,669 40.088,670 1.003,671 1.121,672 2.913,673 8.487,674 0.661,675 3.664,676 3.97,677 4.22,678 4.466,679 4.71,680 4.779,681 4.89,682 5.011,683 5.075,684 4.977,685 9.019,686 0.631,687 474.6,688 3.664,689 5.198,690 6.038,691 6.907,692 7.765,693 8.641,694 9.508,695 10.389,696 11.262,697 12.147,698 3.1,701 1,705 1,715 11,720 7,722 18,727 1,737 1,739 2,741 65,743 20,744 3,745 38,747 68,748 28,749 18,750 7,751 11,752 1,756 4,757 7,763 2,770 2,772 20,773 8,777 2,782 2,786 2,793 30,794 7,795 1,796 7,802 2,808 0.5,809 5,829 4,833 2,855 1,859 2,864 3,868 35,876 4,877 1,878 3,880 1,881 1,893 7.7,896 2,898 3,901 18.167,902 12.533,903 7.806,904 3.996,907 3.466,908 1.426,909 0.96,910 8.189,911 11.601,912 3.912,913 4.46,914 4.985,915 5.527,916 6.058,917 6.273,918 6.609,919 6.964,920 7.248,921 7.391,922 1,923 55,924 12.964,926 5.432,927 0.026,929 7.767,931 24.702,933 19.864,936 2.267,937 79.333,941 341.362,942 184.05,943 21.135,945 83.29,948 184.05,949 424.651,950 21.135,951 26.047,952 29.349,953 104.239,954 55.423,955 66.654,956 6.763,957 341.362,959 341.362,960 205.185,961 83.29,964 247.193,965 177.458,968 50.124,969 155.062,972 341.362,973 104.425,974 184.05,977 341.362,978 53.765,979 133.41,980 18.011,981 83.29,982 341.362,983 104.425,984 184.05,986 0.575,987 0.333,988 0.176,989 0.098,990 23,991 11,992 0.147,993 10,994 2,995 1.2,996 4.649,997 314.428,998 0.2,999 20,1000 177.525,1005 24.927,1006 11.498,1007 6.284,1009 104.425,1010 20.16,1015 4.472,1017 18.011,1018 629.837,1019 49,1024 24.186,1028 -0.521,1031 65.211,1032 72.856,1034 0.245,1035 0.573,1036 0.786,1037 0.888,1038 0.923,1039 0.923,1040 5.145,1041 1.844,1042 6.014,1043 6.04,1044 4.654,1045 5.147,1046 2.639,1047 6.801,1048 4.577,1049 6.329,1050 1.562,1051 7.559,1052 4.968,1053 4.205,1054 4.879,1055 1.847,1056 7.653,1057 4.1,1058 7.62,1059 1.434,1060 9.202,1061 3.386,1062 6.225,1063 7.26,1064 3.582,1065 10.75,1066 6.078,1067 8.943,1068 1.257,1069 10.905,1070 3.362,1071 6.581,1072 7.783,1073 3.603,1074 12.432,1075 6.418,1076 10.297,1077 1.218,1078 12.646,1079 3.072,1080 8.067,1081 9.66,1082 4.922,1083 15.058,1084 7.874,1085 11.673,1086 1.041,1087 14.415,1088 2.682,1089 8.813,1090 10.577,1091 5.291,1092 17.114,1093 8.612,1094 13.068,1095 0.837,1096 16.204,1097 2.404,1098 10.081,1099 12.227,1100 6.39,1101 19.582,1102 9.86,1103 3.215,1104 0.389,1105 18.009,1106 2.007,1107 11.023,1108 13.36,1109 6.93,1110 21.816,1111 10.799,1112 2.832,1113 11.061,1114 19.828,1115 0.897,1116 12.202,1117 14.895,1118 7.902,1119 24.232,1120 11.966,1121 2.645,1122 8.53,1123 21.658,1124 4.198,1125 13.244,1126 16.149,1127 8.539,1128 26.551,1129 13.007,1130 2.626,1131 8.514,1132 23.498,1133 3.689,1134 14.392,1135 17.625,1136 9.436,1137 28.952,1138 14.147,1139 2.277,1140 7.652,1141 25.346,1142 3.676,1143 15.485,1144 18.949,1145 10.13,1146 31.313,1147 15.24,1148 2.263,1149 6.913,1150 27.202,1151 2.965,1152 16.625,1153 20.394,1154 10.981,1155 33.711,1156 16.375,1157 2.011,1158 6.259,1159 29.065,1160 2.908,1161 17.746,1162 21.759,1163 11.71,1164 36.092,1165 17.494,1166 19645,1167 32450,1168 25.255,1169 42.943,1170 56.113,1171 58.764,1172 58.031,1173 55.624,1174 55.644,1175 70.809,1176 10.723,1177 156.61,1178 53.541,1179 5.49,1180 5.692,1181 6.455,1182 5.302,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.18,1188 18.473,1189 1.477,1190 1.546,1191 1.527,1192 1.464,1193 1.464,1194 1.863,1195 0.282,1196 4.121,1197 1.409,1198 4.05,1199 4.059,1200 4.015,1201 3.966,1202 7.435,1203 3.975,1204 3.945,1205 3.975,1206 3.882,1207 3.86,1208 7.427,1209 3.86,1210 3.783,1211 3.814,1212 3.716,1213 3.711,1214 4.947,1215 3.708,1216 3.718,1217 3.771,1218 3.601,1219 3.562,1220 4.813,1221 3.56,1222 3.528,1223 3.59,1224 3.44,1225 3.329,1226 4.708,1227 3.314,1228 3.49,1229 3.558,1230 3.325,1231 3.212,1232 4.391,1233 3.259,1234 3.228,1235 3.266,1236 3.143,1237 3.064,1238 4.322,1239 3.08,1240 3.143,1241 3.189,1242 2.983,1243 2.985,1244 4.254,1245 2.974,1246 0.12,1247 0.097,1248 0.178,1249 0.111,1250 0.085,1251 4.553,1252 0.11,1253 3.692,1254 0.058,1255 6.774,1256 0.291,1257 4.203,1258 0.084,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.059,1267 2.085,1268 1.295,1269 2.074,1270 1.915,1271 1.888,1272 2.042,1273 2.033,1274 1.166,1275 2.038,1276 1.776,1277 1.752,1278 1.934,1279 1.907,1280 1.112,1281 1.915,1282 1.702,1283 1.639,1284 1.887,1285 1.852,1286 1.044,1287 1.864,1288 1.503,1289 1.435,1290 1.794,1291 1.732,1292 0.971,1293 1.734,1294 1.402,1295 1.331,1296 1.69,1297 1.699,1298 0.684,1299 1.717,1300 1.178,1301 1.139,1302 1.455,1303 1.408,1304 0.651,1305 1.424,1306 1.118,1307 1.074,1308 1.417,1309 1.307,1310 0.469,1311 1.308,1312 4.344,1314 5.652,1316 7.157,1318 8.757,1320 10.413,1322 5.841,1328 2.932,1329 2.453,1330 17.135,1332 0.335,1333 2.341,1340 40.992,1341 96.032,1342 224.288,1343 307.626,1344 347.679,1345 361.189,1346 361.189,1347 69.7,1348 8.136,1349 81.01,1350 81.01,1351 24,1352 12.682,1353 4.392,1354 3.585,1355 59.936,1356 195,1357 182,1358 0.147,1359 251.151,1360 447.73,1361 604.568,1362 47064,1364 24.786,1365 0.708,1366 0.578,1367 24.786,1368 20.245,1369 16.94,1370 0.446,1371 0.309,1372 11.581,1373 16.239,1374 11.233,1375 9.375,1376 16.94,1377 11.753,1378 15.078,1379 0.29,1380 0.166,1381 15.078,1382 8.638,1383 12.414,1384 0.185,1385 0.087,1386 12.414,1387 5.837,1388 10.095,1389 0.117,1390 0.046,1391 10.095,1392 3.949,1393 8.283,1394 0.075,1395 0.025,1396 8.283,1397 2.757,1398 0.241,1399 106.468,1400 0.199,1401 32.984,1402 0.377,1403 180,1404 556.656,1405 200.41,1406 524.416,1407 714.77,1408 492,1409 209,1410 526.146,1411 228.445,1412 526.169,1413 770.53,1414 495,1415 9.155}
{0 CHEMBL131588,1 2.032,2 9.929,3 5.734,4 32.875,5 101.664,6 10.164,7 0.567,8 3.87,9 3.965,10 3.719,11 3.455,12 5.132,13 3.448,14 4.391,15 4.527,16 4.188,17 3.8,18 6.117,19 3.79,20 4.533,21 4.691,22 4.234,23 3.876,24 5.897,25 3.843,26 4.523,27 4.698,28 4.067,29 3.772,30 5.854,31 3.768,32 4.55,33 4.742,34 4.135,35 3.814,36 5.957,37 3.792,38 4.546,39 4.7,40 4.212,41 3.839,42 6.053,43 3.819,44 4.471,45 4.607,46 4.132,47 3.817,48 6.172,49 3.778,50 4.53,51 4.706,52 4.079,53 3.826,54 5.94,55 3.777,56 0.225,57 0.853,58 3.766,59 3.755,60 30.639,61 3.608,62 0.943,63 1.665,64 13.675,65 6.477,66 140.02,67 6.206,68 0.756,69 1.472,70 21.123,71 8.378,72 95.144,73 7.489,74 0.707,75 1.234,76 17.357,77 6.383,78 74.587,79 6.173,80 0.858,81 1.426,82 16.298,83 6.648,84 80.019,85 6.791,86 0.83,87 1.538,88 21.405,89 8.05,90 99.248,91 6.668,92 0.985,93 1.377,94 17.479,95 7.635,96 146.879,97 6.733,98 0.668,99 1.57,100 20.7,101 8.951,102 79.589,103 8.91,104 40,105 43,106 0.354,107 0.635,108 0.729,109 0.814,110 0.825,111 0.825,112 3.375,113 0.936,114 -6.57,115 -6.39,116 -5.93,121 42.9,126 1,127 1,134 1,144 9,145 1,146 2,151 1,161 1,164 1,168 1,176 8,179 5,180 6,187 10,191 2,192 8,200 6,205 2,206 13,214 2,219 10,227 2,232 12,239 4,244 8,251 4,256 1,264 8,269 2,277 9,281 1376,282 18.154,283 18.154,284 18.154,285 18.154,286 18.154,287 16.053,288 15.208,289 10.548,290 18.987,291 14.778,292 14.778,293 14.778,294 14.778,295 14.778,296 11.574,297 15.964,298 5.036,299 16.303,300 3.36,301 1.748,302 1.209,303 0.721,304 0.655,305 0.655,306 4.048,308 1,312 1,313 581,314 4.123,317 85.795,318 202.933,325 1.444,326 47.867,329 0.75,330 0.83,331 0.83,332 0.3,333 0.5,334 0.83,335 1,336 0.72,337 63.833,338 278,339 4.517,340 4.57,341 6.713,342 4.117,343 3.195,344 4.19,345 3.02,346 10.811,347 2.967,348 4.166,349 4.144,350 6.396,351 3.885,352 3.086,353 3.678,354 2.95,355 9.953,356 2.735,357 4.101,358 3.735,359 6.219,360 3.812,361 2.856,362 3.516,363 1.678,364 9.221,365 2.442,366 3.954,367 2.991,368 5.916,369 3.518,370 2.58,371 3.097,372 0.527,373 8.191,374 2.389,375 3.618,376 2.837,377 5.111,378 3.146,379 2.239,380 2.99,382 6.09,383 1.994,384 3.366,385 2.672,386 5.01,387 2.919,388 1.993,389 2.614,391 5.68,392 1.787,393 2.911,394 2.504,395 4.287,396 2.463,397 1.514,398 2.055,400 3.868,401 1.426,402 2.743,403 1.751,404 4.219,405 2.235,406 1.336,407 1.835,409 3.559,410 1.16,411 2.5,412 1.699,413 3.607,414 2,415 1,416 1.5,418 2.582,419 1,420 2.5,421 1.276,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.392,430 1.03,431 3.321,432 1.937,433 0.988,434 1.331,436 2.136,437 0.928,438 1.856,439 1,440 3.247,441 1.389,442 0.535,443 0.606,445 1.339,446 0.417,447 1.689,448 1,449 3.089,450 1.329,451 0.368,452 0.506,454 0.868,455 0.368,456 1.117,457 0.51,458 2.567,459 0.636,460 -0.205,461 -0.256,463 -0.456,464 -0.139,465 0.652,466 0.51,467 2.48,468 0.225,469 -0.749,470 -0.873,472 -1.609,473 -0.633,474 13.338,475 0.476,476 0.929,477 0.033,478 36.75,479 1.313,480 18.5,481 0.661,482 18.25,483 0.652,484 22.736,485 0.812,486 30.462,487 0.725,488 30.367,489 1.085,490 7.395,491 0.264,492 5.848,493 0.209,494 0.18,495 0.037,496 0.285,498 3,501 0.568,502 0.994,503 0.563,504 0.892,505 0.583,506 0.852,507 0.413,508 0.774,509 0.764,510 0.968,511 0.403,512 0.878,513 0.899,514 1.033,515 0.979,516 1.139,517 0.896,518 1.031,519 0.797,520 0.82,521 0.872,522 0.91,523 0.701,524 0.961,525 0.658,526 0.593,527 0.67,528 0.676,529 0.682,530 0.784,531 0.972,532 0.963,533 1.139,534 1.173,535 0.984,536 0.958,537 0.693,538 0.829,539 1.068,540 1.109,541 0.758,542 1.05,543 0.928,544 1.218,545 0.762,546 1.122,547 0.92,548 1.126,549 7,550 0.198,551 3.556,552 1.882,553 1.793,554 1.299,555 0.874,556 0.647,557 0.44,558 0.236,559 8791,560 36915,561 1.984,562 33.3,564 14,572 1.718,573 1.816,574 3.258,575 -0.636,582 85.361,583 2.032,584 3.644,585 4.183,586 4.672,587 4.737,588 4.737,589 2.708,590 4.084,591 4.775,592 3.451,593 1304.6,594 8.348,595 17313.7,600 226.477,601 1.678,602 4.706,603 0.233,604 0.009,605 0.083,606 0.046,607 0.046,608 0.032,609 0.021,610 0.017,611 0.012,612 0.008,613 0.506,614 0.17,615 0.88,616 1.163,617 139.305,618 -0.018,619 -0.101,620 0.025,621 -0.031,622 -0.086,623 -0.029,624 0.426,625 0.252,626 0.062,627 0.004,628 0.398,629 -0.012,630 -0.079,631 -0.123,632 0.012,633 -0.123,634 -0.104,635 -0.078,636 -0.13,637 -0.137,638 -0.069,639 -0.093,640 -0.072,641 -0.074,642 0.081,643 0.206,644 0.093,645 0.181,646 0.024,647 0.119,648 -0.067,649 -0.025,650 -0.123,651 -0.078,652 -0.045,653 -0.042,654 0.235,655 0.13,656 -0.129,657 -0.044,658 0.24,659 -0.134,660 -0.046,661 -0.263,662 0.097,663 -0.138,664 -0.008,665 -0.096,666 5.656,667 5.86,668 0.607,669 27.082,670 1.044,671 1.143,672 5.336,673 28.468,674 0.717,675 3.434,676 3.784,677 3.97,678 4.19,679 4.419,680 4.511,681 4.625,682 4.727,683 4.787,684 4.762,685 6.2,686 0.706,687 426.88,688 3.434,689 4.99,690 5.82,691 6.703,692 7.557,693 8.445,694 9.312,695 10.203,696 11.079,697 11.972,698 9.5,705 1,706 1,708 2,715 9,716 2,720 5,721 1,722 17,740 1,741 42,743 18,744 2,745 30,747 44,748 18,749 14,750 3,751 9,752 1,756 3,757 3,758 1,761 1,763 1,769 1,772 15,773 3,777 1,782 1,786 1,791 3,793 14,794 7,796 10,797 2,802 4,808 1,809 1,828 1,829 2,859 3,860 1,862 1,864 1,865 1,866 3,868 28,876 1,879 1,881 1,882 1,890 1,892 4,893 2.4,896 1,901 15.417,902 7.955,903 6.014,904 2.254,907 2.728,908 1.384,909 0.978,910 6.212,911 9.832,912 3.701,913 4.294,914 4.819,915 5.362,916 5.841,917 6.085,918 6.429,919 6.785,920 7.136,921 7.337,922 0.857,923 41,924 10.769,926 5.017,927 0.026,929 8.346,931 18.669,933 14.856,936 2.846,937 79.694,941 164.795,942 151.301,943 38.349,944 39.149,945 25.145,946 44.88,947 32.22,948 119.082,949 229.089,950 83.23,951 8.396,952 4.024,953 85.286,954 58.593,955 59.121,956 4.276,957 197.015,958 46.908,959 164.795,960 157.431,961 70.025,962 71.368,964 167.123,965 70.025,968 14.253,969 107.401,970 72.597,971 32.22,972 209.676,973 63.494,974 190.45,977 172.555,978 49.859,979 98.583,981 142.622,982 164.795,983 108.375,984 190.45,986 0.593,987 0.318,988 0.158,989 0.092,990 20,991 10,992 0.091,993 4,995 1,996 3.832,997 239.313,999 17,1000 121.851,1001 1,1005 20.562,1006 8.459,1007 5.222,1009 106.598,1010 15.181,1011 8.275,1015 1.593,1016 0.882,1018 463.62,1019 39.5,1024 12.86,1028 -0.622,1031 43.858,1032 47.992,1034 0.377,1035 0.676,1036 0.776,1037 0.866,1038 0.879,1039 0.879,1040 4.951,1041 1.336,1042 5.855,1043 3.868,1044 4.466,1045 4.98,1046 3.616,1047 6.686,1048 4.284,1049 6.181,1050 1,1051 7.439,1052 3.559,1053 4.29,1054 4.82,1055 3.192,1056 7.806,1057 3.892,1058 7.5,1059 1,1060 9.128,1061 2.582,1062 6.138,1063 7.141,1064 5.547,1065 10.775,1066 5.764,1067 8.852,1068 0.988,1069 10.875,1070 2.275,1071 6.723,1072 7.737,1073 5.508,1074 12.631,1075 6.142,1076 10.232,1077 0.535,1078 12.658,1079 2.136,1080 8.112,1081 9.573,1082 7.663,1083 15.189,1084 7.533,1085 11.631,1086 0.368,1087 14.464,1088 1.339,1089 9.004,1090 10.529,1091 7.736,1092 17.317,1093 8.255,1094 13.044,1095 -0.205,1096 16.286,1097 0.868,1098 10.23,1099 12.15,1100 9.826,1101 19.741,1102 9.452,1103 3.195,1104 -0.749,1105 18.119,1106 -0.456,1107 11.255,1108 13.303,1109 9.948,1110 21.985,1111 10.341,1112 3.086,1113 10.811,1114 19.961,1115 -1.609,1116 12.42,1117 14.818,1118 12.003,1119 24.361,1120 11.455,1121 2.856,1122 9.953,1123 21.809,1124 4.19,1125 13.504,1126 16.084,1127 12.158,1128 26.659,1129 12.428,1130 2.58,1131 9.221,1132 23.663,1133 3.678,1134 14.648,1135 17.546,1136 14.184,1137 29.018,1138 13.509,1139 2.239,1140 8.191,1141 25.52,1142 3.516,1143 15.761,1144 18.877,1145 14.369,1146 31.343,1147 14.526,1148 1.993,1149 6.09,1150 27.382,1151 3.097,1152 16.898,1153 20.315,1154 16.366,1155 33.699,1156 15.595,1157 1.514,1158 5.68,1159 29.246,1160 2.99,1161 18.025,1162 21.685,1163 16.579,1164 36.04,1165 16.636,1166 8724,1167 18104,1168 19.186,1169 30.125,1170 46.392,1171 48.563,1172 46.567,1173 45.838,1174 45.384,1175 58.834,1176 16.35,1177 133.143,1178 41.223,1179 5.395,1180 6.57,1181 6.515,1182 5.261,1183 5.195,1184 7.19,1185 5.97,1186 18.222,1187 4.967,1188 16.645,1189 1.546,1190 1.619,1191 1.552,1192 1.528,1193 1.513,1194 1.961,1195 0.545,1196 4.438,1197 1.374,1198 4.02,1199 4.063,1200 4.113,1201 3.904,1202 8.513,1203 3.907,1204 3.895,1205 3.928,1206 3.953,1207 3.826,1208 7.999,1209 3.822,1210 3.751,1211 3.789,1212 3.835,1213 3.614,1214 7.999,1215 3.606,1216 3.549,1217 3.596,1218 3.627,1219 3.295,1220 7.429,1221 3.31,1222 3.356,1223 3.43,1224 3.36,1225 3.124,1226 5.042,1227 3.146,1228 2.941,1229 2.977,1230 3.25,1231 2.811,1232 4.87,1233 2.801,1234 2.854,1235 2.925,1236 2.997,1237 2.735,1238 4.755,1239 2.715,1240 2.854,1241 2.925,1242 2.712,1243 2.735,1244 4.247,1245 2.715,1246 0.151,1247 0.152,1248 0.224,1249 0.137,1250 0.107,1251 4.517,1252 0.14,1253 4.57,1254 0.101,1255 6.713,1256 0.36,1257 4.117,1258 0.099,1259 3.195,1260 4.19,1261 3.02,1262 10.811,1263 2.967,1264 1.897,1265 1.872,1266 2.017,1267 2.015,1268 1.085,1269 2.013,1270 1.891,1271 1.863,1272 1.975,1273 1.963,1274 1.078,1275 1.974,1276 1.528,1277 1.493,1278 1.654,1279 1.774,1280 0.875,1281 1.741,1282 1.385,1283 1.332,1284 1.531,1285 1.67,1286 0.696,1287 1.634,1288 1.163,1289 1.123,1290 1.293,1291 1.448,1292 0.335,1293 1.435,1294 1.13,1295 1.047,1296 1.183,1297 1.355,1298 0.259,1299 1.317,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 4.111,1314 5.451,1315 2.398,1316 6.963,1317 4.727,1318 8.546,1319 6.843,1320 10.167,1322 1.513,1323 5.859,1324 38.051,1328 -1.186,1331 0.404,1333 1.29,1334 -4.406,1340 29.653,1341 85.361,1342 153.054,1343 175.683,1344 196.213,1345 198.968,1346 198.968,1347 67.583,1348 7.104,1349 51.02,1350 76.32,1351 17,1352 12.502,1353 4.248,1354 3.392,1355 49.245,1356 99,1357 112,1358 0.235,1359 189.138,1360 331.14,1361 453.256,1362 10120,1363 9.5,1364 20.311,1365 0.725,1366 0.575,1367 18.665,1368 16.093,1369 13.243,1370 0.441,1371 0.312,1372 7.947,1373 11.852,1374 7.677,1375 6.323,1376 12.839,1377 9.364,1378 12.891,1379 0.3,1380 0.165,1381 11.645,1382 7.097,1383 9.676,1384 0.186,1385 0.094,1386 9.924,1387 4.902,1388 7.418,1389 0.114,1390 0.048,1391 7.95,1392 3.099,1393 6.058,1394 0.074,1395 0.026,1396 6.459,1397 2.16,1398 0.361,1399 91.978,1400 0.228,1401 26.485,1402 0.672,1403 146,1404 667.713,1405 213.693,1406 612.885,1407 789.45,1408 566,1409 168,1410 520.413,1411 224.963,1412 526.187,1413 786.85,1414 492,1415 4.301}
{0 CHEMBL131598,1 1.455,2 10.346,3 4.413,4 19.476,5 103.215,6 6.892,7 0.414,8 4.025,9 4.151,10 3.539,11 3.548,12 5.045,13 3.518,14 4.601,15 4.794,16 3.963,17 3.987,18 5.596,19 3.942,20 4.849,21 5.032,22 4.03,23 4.19,24 5.779,25 4.107,26 5.062,27 5.322,28 3.939,29 4.205,30 5.934,31 4.08,32 4.969,33 5.214,34 3.738,35 4.055,36 5.918,37 3.91,38 4.869,39 5.174,40 3.559,41 3.793,42 5.721,43 3.654,44 4.417,45 4.619,46 3.46,47 3.553,48 5.51,49 3.49,50 4.324,51 4.529,52 3.396,53 3.53,54 5.438,55 3.461,56 0.032,57 0.747,58 11.558,59 4.727,60 8.592,61 6.551,62 0.396,63 1.247,64 22.182,65 7.844,66 33.24,67 11.306,68 0.178,69 1.562,70 27.984,71 10.637,72 26.378,73 15.003,74 0.327,75 1.758,76 36.621,77 12.403,78 43.01,79 18.346,80 0.351,81 1.507,82 33.594,83 11.829,84 50.941,85 16.759,86 0.427,87 1.211,88 32.016,89 10.487,90 51.29,91 15.072,92 0.368,93 0.855,94 19.676,95 6.393,96 40.239,97 8.473,98 0.339,99 0.838,100 17.652,101 5.575,102 38.539,103 7.695,104 26,105 44,106 0.245,107 0.577,108 0.789,109 0.874,110 0.88,111 0.88,112 3.304,113 0.933,114 -4.53,115 -4.46,116 -4.2,121 41.2,122 2,123 1,125 1,126 2,127 1,130 1,144 7,145 2,146 3,161 1,176 10,179 2,180 7,183 2,185 2,187 12,192 8,197 2,200 8,206 9,211 4,214 4,218 1,219 9,224 2,227 2,231 1,232 5,237 1,239 4,243 1,244 2,247 1,249 2,251 8,255 1,259 1,264 10,269 2,277 10,281 928,282 17.134,283 17.134,284 17.134,285 17.134,286 17.134,287 15.542,288 27.222,289 9.706,290 17.498,291 14.283,292 14.283,293 14.283,294 14.283,295 14.283,296 11.826,297 39.877,298 4.597,299 14.865,300 4.217,301 2.251,302 0.994,303 0.491,304 0.451,305 0.451,306 3.995,311 1,312 1,313 590,314 3.464,317 100.546,318 140.596,320 81.145,321 86.045,324 120.377,325 1.55,326 18.086,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 55.5,338 269,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 4.084,349 3.676,350 6.211,351 3.705,352 2.747,353 3.663,354 0.966,355 8.83,356 2.643,357 3.961,358 2.83,359 6.169,360 3.603,361 2.632,362 3.314,363 0.693,364 8.46,365 2.547,366 3.668,367 2.748,368 5.616,369 3.385,370 2.443,371 2.895,372 0.366,373 7.76,374 2.286,375 3.483,376 2.731,377 5.383,378 3.286,379 2.345,380 2.665,382 7.013,383 2.195,384 3.344,385 2.503,386 4.912,387 3.031,388 2.068,389 2.463,391 5.703,392 1.98,393 3.137,394 2.138,395 4.753,396 2.721,397 1.737,398 2.31,400 4.734,401 1.695,402 2.659,403 1.746,404 4.488,405 2.412,406 1.461,407 1.73,409 4.287,410 1.382,411 2.614,412 1.24,413 4.213,414 2.178,415 1.181,416 1.629,418 3.06,419 1.176,420 2.517,421 1.171,422 3.722,423 2.127,424 1.133,425 1.521,427 2.587,428 1.126,429 1.785,430 0.932,431 3.479,432 1.694,433 0.729,434 0.76,436 1.822,437 0.702,438 1.253,439 0.738,440 3.088,441 0.965,442 0.052,443 0.059,445 0.144,446 0.047,447 1.175,448 0.35,449 2.987,450 0.751,451 -0.24,452 -0.276,454 -0.595,455 -0.232,456 0.886,457 -0.017,458 2.619,459 0.638,460 -0.31,461 -0.359,463 -0.756,464 -0.294,465 0.762,466 -0.131,467 2.427,468 0.564,469 -0.436,470 -0.537,472 -1.022,473 -0.434,474 12.367,475 0.476,476 0.877,477 0.034,478 32.25,479 1.24,480 15,481 0.577,482 17.25,483 0.663,484 23.514,485 0.904,486 28.433,487 0.558,488 23.503,489 0.904,490 6.188,491 0.238,492 6.192,493 0.238,494 0.189,495 0.04,496 0.348,501 0.812,502 1.438,503 0.842,504 1.17,505 0.64,506 1.03,507 0.706,508 0.871,509 0.783,510 0.771,511 0.385,512 0.769,513 1.02,514 1.385,515 1.115,516 1.27,517 0.756,518 1.215,519 0.969,520 1.001,521 1.017,522 1.01,523 0.633,524 1.003,525 1.214,526 1.15,527 1.172,528 1.236,529 1.381,530 1.209,531 1.27,532 0.651,533 0.71,534 0.664,535 1.143,536 0.635,537 2.189,538 0.918,539 1.167,540 0.893,541 2.39,542 0.927,543 1.924,544 0.835,545 1.234,546 0.834,547 2.697,548 0.934,549 7,550 0.179,551 3.778,552 3.771,553 1.508,554 0.875,555 0.531,556 0.332,557 0.299,558 0.201,559 8092,560 17374,561 2.069,562 49,563 6,564 15,565 1,567 1,569 2,572 1.688,573 1.891,574 3.312,575 -0.37,577 1,582 74.204,583 1.455,584 3.422,585 4.679,586 5.182,587 5.221,588 5.221,589 2.724,590 4.47,591 4.674,592 3.5,593 1137.41,594 8.084,595 14049.4,597 1,599 1,600 289.294,601 1.693,602 4.603,603 0.241,604 0.009,605 0.086,606 0.084,607 0.039,608 0.03,609 0.02,610 0.014,611 0.013,612 0.01,613 0.546,614 0.5,615 1,616 0.638,617 126.808,618 -0.003,619 -0.221,620 0.075,621 -0.08,622 -0.055,623 -0.007,624 0.288,625 0.283,626 0.187,627 0.23,628 0.259,629 0.205,630 -0.097,631 -0.282,632 -0.169,633 -0.235,634 -0.051,635 -0.218,636 -0.066,637 0.006,638 -0.039,639 -0.053,640 0.1,641 -0.036,642 -0.04,643 -0.203,644 -0.176,645 -0.261,646 -0.091,647 -0.239,648 0.061,649 0.158,650 0.334,651 0.268,652 0.069,653 0.326,654 -0.173,655 0.034,656 -0.09,657 0.068,658 -0.227,659 -0.003,660 -0.206,661 0.214,662 -0.184,663 0.112,664 -0.296,665 -0.016,666 2.132,667 5.265,668 0.692,669 21.722,670 0.994,671 1.127,672 3.302,673 10.901,674 0.653,675 3.401,676 3.807,677 4.127,678 4.477,679 4.663,680 4.745,681 4.898,682 4.984,683 4.97,684 5.037,685 6.219,686 0.614,687 351.49,688 3.401,689 4.99,690 5.878,691 6.81,692 7.72,693 8.661,694 9.585,695 10.532,696 11.466,697 12.418,698 5.9,701 1,704 1,705 1,715 7,720 5,722 12,736 1,737 1,741 51,743 13,744 2,745 29,747 54,748 21,749 12,750 5,751 7,756 4,757 7,763 2,764 1,766 1,767 1,770 1,772 13,773 8,777 1,782 1,786 1,790 1,793 25,794 5,795 1,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 4,868 26,876 2,877 1,878 1,880 1,881 2,882 1,893 3.9,896 1,898 1,901 13.75,902 10.4,903 5.486,904 3.017,907 2.157,908 1.282,909 0.967,910 4.204,911 9.802,912 3.611,913 4.205,914 4.723,915 5.288,916 5.757,917 5.933,918 6.228,919 6.515,920 6.605,921 6.823,922 0.857,923 45,924 9.638,926 4.144,927 0.026,929 7.599,931 18.778,933 15.977,936 2.099,937 54.583,939 1,940 1,941 282.506,942 129.308,943 24.259,945 36.145,948 129.308,949 318.651,950 24.259,951 34.443,952 22.651,953 66.334,954 25.145,955 34.377,956 18.534,957 270.735,959 282.506,960 153.567,961 36.145,964 258.964,965 59.687,968 43.426,969 110.141,972 282.506,973 60.404,974 129.308,977 282.506,978 28.531,979 107.026,980 18.011,981 36.145,982 282.506,983 60.404,984 129.308,986 0.603,987 0.358,988 0.203,989 0.105,990 24,991 11,992 0.056,993 3,994 2,995 1.222,996 3.72,997 229.424,998 0.222,999 18,1000 120.211,1005 17.379,1006 6.289,1007 2.908,1009 60.404,1010 13.625,1015 4.887,1017 18.011,1018 472.218,1019 36,1024 12.265,1028 -0.466,1031 50.68,1032 57.481,1034 0.256,1035 0.603,1036 0.825,1037 0.914,1038 0.92,1039 0.92,1040 4.913,1041 1.461,1042 5.932,1043 4.734,1044 4.489,1045 4.89,1046 2.466,1047 6.872,1048 4.414,1049 6.141,1050 1.181,1051 7.578,1052 4.287,1053 4.369,1054 4.808,1055 1.905,1056 8.236,1057 4.268,1058 7.482,1059 1.133,1060 9.341,1061 3.06,1062 6.24,1063 7.02,1064 3.531,1065 11.406,1066 6.104,1067 8.857,1068 0.729,1069 11.181,1070 2.587,1071 6.938,1072 7.672,1073 3.612,1074 13.69,1075 6.788,1076 10.267,1077 0.052,1078 13.077,1079 1.822,1080 8.382,1081 9.448,1082 4.913,1083 16.517,1084 8.207,1085 11.704,1086 -0.24,1087 15.015,1088 0.144,1089 9.445,1090 10.452,1091 5.293,1092 19.118,1093 9.26,1094 13.164,1095 -0.31,1096 16.986,1097 -0.595,1098 10.77,1099 12.046,1100 6.388,1101 21.869,1102 10.566,1103 3.737,1104 -0.436,1105 18.983,1106 -0.756,1107 11.986,1108 13.236,1109 6.931,1110 24.561,1111 11.769,1112 2.747,1113 15.306,1114 21,1115 -1.022,1116 13.289,1117 14.743,1118 7.902,1119 27.295,1120 13.054,1121 2.632,1122 8.83,1123 23.032,1124 4.206,1125 14.565,1126 16.037,1127 8.539,1128 30.013,1129 14.313,1130 2.443,1131 8.46,1132 25.075,1133 3.663,1134 15.871,1135 17.502,1136 9.436,1137 32.743,1138 15.6,1139 2.345,1140 7.76,1141 27.128,1142 3.314,1143 17.171,1144 18.854,1145 10.13,1146 35.468,1147 16.881,1148 2.068,1149 7.013,1150 29.187,1151 2.895,1152 18.481,1153 20.298,1154 10.981,1155 38.197,1156 18.171,1157 1.737,1158 5.703,1159 31.252,1160 2.665,1161 19.791,1162 21.684,1163 11.71,1164 40.924,1165 19.461,1166 7691,1167 11411,1168 18.898,1169 33.302,1170 44.883,1171 45.768,1172 47.252,1173 44.472,1174 44.528,1175 54.432,1176 8.422,1177 139.412,1178 42.87,1179 5.797,1180 5.973,1181 7.562,1182 5.804,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 14.35,1189 1.548,1190 1.578,1191 1.629,1192 1.534,1193 1.535,1194 1.877,1195 0.29,1196 4.807,1197 1.478,1198 4.093,1199 4.13,1200 4.04,1201 3.996,1202 7.435,1203 4.002,1204 3.925,1205 3.958,1206 3.861,1207 3.854,1208 4.844,1209 3.85,1210 3.7,1211 3.742,1212 3.617,1213 3.563,1214 4.745,1215 3.567,1216 3.414,1217 3.455,1218 3.35,1219 3.138,1220 4.446,1221 3.179,1222 3.278,1223 3.37,1224 3.107,1225 3.057,1226 4.146,1227 3.054,1228 3.236,1229 3.329,1230 3.04,1231 3.037,1232 3.963,1233 3.025,1234 3.131,1235 3.203,1236 2.942,1237 2.936,1238 3.897,1239 2.939,1240 2.976,1241 3.093,1242 2.708,1243 2.761,1244 3.852,1245 2.727,1246 0.167,1247 0.137,1248 0.276,1249 0.163,1250 0.129,1251 4.832,1252 0.145,1253 3.973,1254 0.075,1255 8.006,1256 0.528,1257 4.714,1258 0.126,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.918,1265 1.893,1266 2.037,1267 2.021,1268 1.31,1269 2.024,1270 1.897,1271 1.874,1272 2.003,1273 1.979,1274 1.131,1275 1.988,1276 1.633,1277 1.577,1278 1.832,1279 1.836,1280 1.057,1281 1.837,1282 1.534,1283 1.453,1284 1.787,1285 1.755,1286 1.012,1287 1.775,1288 1.285,1289 1.235,1290 1.582,1291 1.585,1292 0.645,1293 1.562,1294 1.216,1295 1.127,1296 1.553,1297 1.467,1298 0.612,1299 1.5,1300 1.1,1301 1.04,1302 1.453,1303 1.361,1304 0.563,1305 1.372,1306 1.014,1307 0.899,1308 1.297,1309 1.291,1310 0.347,1311 1.353,1312 4.078,1314 5.46,1315 3.045,1316 7.033,1317 5.638,1318 8.701,1319 7.921,1320 10.429,1322 8.607,1328 2.175,1329 2.791,1330 5.557,1332 0.355,1333 4.726,1334 0.061,1340 31.289,1341 74.204,1342 174.504,1343 238.623,1344 264.274,1345 266.274,1346 266.274,1347 38.401,1348 7.645,1349 44.81,1350 44.81,1351 22,1352 12.909,1353 3.807,1354 3,1355 38.228,1356 98,1357 92,1358 0.194,1359 190.52,1360 332.72,1361 456.628,1362 21498,1364 18.474,1365 0.711,1366 0.606,1367 18.474,1368 15.744,1369 12.381,1370 0.427,1371 0.311,1372 8.891,1373 11.926,1374 8.504,1375 7.11,1376 12.381,1377 9.015,1378 12.07,1379 0.274,1380 0.175,1381 12.07,1382 7.696,1383 10.13,1384 0.166,1385 0.095,1386 10.13,1387 5.776,1388 9.243,1389 0.106,1390 0.053,1391 9.243,1392 4.592,1393 6.972,1394 0.066,1395 0.028,1396 6.972,1397 2.982,1398 0.304,1399 77.369,1400 0.23,1401 24.982,1402 0.532,1403 146,1404 367.094,1405 159.359,1406 356.473,1407 497.21,1408 334,1409 178,1410 379.092,1411 191.642,1412 387.404,1413 571.02,1414 361,1415 7.553}
{0 CHEMBL13166,1 1.485,2 15.778,3 5.195,4 26.988,5 121.362,6 6.733,7 0.357,8 4.153,9 4.281,10 3.71,11 3.691,12 5.054,13 3.587,14 4.733,15 4.949,16 3.949,17 4.052,18 5.522,19 3.903,20 4.872,21 5.081,22 3.919,23 4.127,24 5.642,25 3.926,26 5.026,27 5.331,28 3.894,29 4.148,30 5.643,31 3.897,32 4.797,33 5.02,34 3.739,35 4.021,36 5.557,37 3.823,38 4.832,39 5.098,40 3.704,41 4.023,42 5.469,43 3.76,44 4.654,45 4.911,46 3.621,47 3.894,48 5.296,49 3.651,50 4.751,51 5.04,52 3.449,53 3.887,54 5.328,55 3.599,56 0.062,57 0.854,58 16.483,59 6.683,60 10.301,61 8.717,62 0.268,63 1.369,64 35.137,65 11.305,66 20.227,67 14.144,68 0.468,69 1.449,70 38.664,71 13.405,72 28.947,73 16.692,74 0.257,75 1.603,76 44.562,77 15.605,78 26.845,79 19.61,80 0.379,81 1.308,82 35.966,83 12.251,84 27.851,85 14.934,86 0.28,87 1.393,88 41.341,89 13.328,90 21.407,91 16.488,92 0.174,93 1.155,94 28.256,95 10.964,96 15.789,97 13.97,98 0.286,99 1.248,100 41.046,101 12.97,102 19.09,103 15.035,104 25,105 35,106 0.245,107 0.448,108 0.641,109 0.667,110 0.678,111 0.678,112 3.337,113 1.279,114 -3.55,115 -3.52,116 -3.36,121 34.4,123 3,126 4,127 6,144 4,154 4,176 4,180 4,187 3,191 2,192 4,200 4,206 2,214 4,219 2,227 2,232 4,239 5,244 2,251 4,256 2,264 2,269 4,277 2,281 1296,282 17.982,283 17.982,284 17.982,285 17.982,286 17.982,287 16.795,288 23.523,289 11.377,290 18.617,291 13.916,292 13.916,293 13.916,294 13.916,295 13.916,296 12.072,297 29.993,298 5.556,299 14.86,300 4.446,301 3.212,302 2.041,303 1.886,304 1.82,305 1.82,306 4.005,311 1,312 1,313 874,314 4.359,317 193.755,325 2.486,326 11.751,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 57,338 426,339 4.124,340 4.251,341 5.675,342 3.75,343 2.763,344 3.735,345 3.272,346 7.971,347 2.728,348 4.124,349 4.247,350 5.675,351 3.75,352 2.763,353 3.735,354 3.272,355 7.971,356 2.728,357 3.372,358 2.998,359 5.03,360 3.179,361 2.245,362 2.508,363 0.916,364 6.084,365 2.098,366 3.37,367 2.995,368 5.029,369 3.177,370 2.242,371 2.507,372 0.916,373 6.084,374 2.097,375 2.948,376 2.696,377 4.339,378 2.834,379 1.902,380 1.971,381 0.172,382 4.348,383 1.773,384 2.915,385 2.683,386 4.338,387 2.695,388 1.78,389 1.952,390 0.172,391 4.341,392 1.629,393 2.825,394 2.255,395 3.883,396 2.652,397 1.689,398 1.844,400 3.731,401 1.612,402 2.528,403 2.238,404 3.586,405 2.329,406 1.446,407 1.529,409 3.068,410 1.242,411 2.236,412 1.75,413 3.297,414 1.884,415 1.032,416 1.154,418 2.195,419 0.856,420 2.203,421 1.712,422 3.274,423 1.749,424 0.759,425 1.072,427 1.776,428 0.749,429 2.043,430 1.392,431 3.169,432 1.683,433 0.711,434 0.968,436 1.679,437 0.684,438 1.547,439 0.761,440 2.79,441 1.348,442 0.453,443 0.491,445 0.994,446 0.395,447 1.039,448 0.758,449 2.475,450 0.874,451 -0.042,452 -0.045,454 -0.096,455 -0.037,456 0.829,457 0.324,458 2.367,459 0.655,460 -0.296,461 -0.324,463 -0.777,464 -0.28,465 0.769,466 0.049,467 2.227,468 0.579,469 -0.364,470 -0.402,472 -0.943,473 -0.34,474 13.633,475 0.505,476 0.561,477 0.021,478 24.5,479 0.907,480 8,481 0.296,482 16.5,483 0.611,484 30.456,485 1.128,486 31.967,487 0.524,488 13.276,489 0.492,490 3.936,491 0.146,492 9.089,493 0.337,494 0.147,496 0.205,501 0.917,502 1.477,503 0.863,504 1.141,505 0.922,506 1.173,507 1.371,508 1.014,509 1.318,510 1.146,511 0.905,512 0.978,513 1.421,514 1.179,515 1.198,516 1.216,517 1.594,518 1.262,519 0.575,520 0.898,521 0.865,522 0.918,523 0.486,524 0.825,525 1.989,526 0.974,527 1.299,528 1.057,529 1.934,530 1.077,531 0.824,532 1.132,533 1.195,534 1.22,535 1.008,536 1.157,537 0.792,538 1.057,539 0.863,540 0.973,541 0.933,542 1.107,543 0.959,544 1.001,545 1.643,546 1.362,547 0.885,548 0.983,549 5.5,550 0.073,551 1.111,552 1.514,553 0.65,554 0.647,555 0.234,556 0.175,557 0.137,558 0.109,559 11366,560 25140,561 1.975,562 55.7,563 2,564 28,569 4,572 1.687,573 1.862,574 3.921,575 -0.769,582 90.563,583 1.485,584 2.718,585 3.889,586 4.045,587 4.111,588 4.111,589 3.347,590 3.644,591 4.729,592 4.145,593 1454.8,594 8.131,595 22393.7,600 361.775,601 1.311,602 4.691,603 0.196,604 0.004,605 0.032,606 0.054,607 0.022,608 0.025,609 0.011,610 0.009,611 0.007,612 0.006,613 0.367,614 0.33,615 0.88,616 1.141,617 143.103,618 0.053,619 -0.231,620 0.098,621 -0.046,622 0.061,623 -0.039,624 -0.117,625 0.161,626 -0.086,627 -0.005,628 0.117,629 0.053,630 -0.012,631 -0.137,632 -0.139,633 -0.151,634 -0.239,635 -0.232,636 0.115,637 0.034,638 0.162,639 0.096,640 0.271,641 0.158,642 -0.32,643 0.04,644 -0.186,645 0.009,646 -0.377,647 -0.076,648 -0.044,649 -0.118,650 -0.072,651 -0.119,652 -0.168,653 -0.134,654 -0.024,655 -0.081,656 0.047,657 0.012,658 -0.087,659 -0.089,660 -0.08,661 0.024,662 -0.184,663 -0.079,664 -0.041,665 0.043,666 0.628,667 2.342,668 0.37,669 33.037,670 0.986,671 1.129,672 2.316,673 5.362,674 0.646,675 3.367,676 3.584,677 3.664,678 3.871,679 3.807,680 3.829,681 3.807,682 3.584,683 3.555,684 3.526,685 9.385,686 0.578,687 410.71,688 3.367,689 4.844,690 5.609,691 6.428,692 7.213,693 8.038,694 8.834,695 9.662,696 10.465,697 11.294,698 3.3,701 2,715 4,718 2,720 4,722 10,741 61,743 10,745 28,747 62,748 21,749 8,756 2,757 2,770 3,772 8,773 13,792 2,793 34,794 4,796 6,797 2,802 2,808 1,809 2,828 2,855 2,859 2,860 2,862 2,864 4,868 27,876 9,879 2,881 2,893 3.3,898 2,901 14.5,902 11.9,903 6.167,904 3.556,907 1.513,908 1.227,909 0.922,910 10.86,911 8.176,912 3.526,913 3.961,914 4.341,915 4.837,916 4.814,917 4.894,918 4.936,919 4.582,920 4.572,921 4.562,922 1,923 28,924 10.016,926 3.882,927 0.026,929 7.383,931 20.064,933 15.61,936 1.883,937 50.833,940 1,941 400.217,942 173.139,943 6.249,945 19.015,947 64.439,948 108.7,949 419.232,950 6.249,951 33.586,952 15.414,953 37.905,955 25.263,956 21.795,957 464.657,959 400.217,960 114.948,961 19.015,962 64.439,964 353.133,965 66.099,968 21.662,969 93.286,971 64.439,972 400.217,973 25.263,974 173.139,977 400.217,978 101.648,979 77.739,981 19.015,982 400.217,983 25.263,984 173.139,986 0.553,987 0.276,988 0.153,989 0.075,990 12,991 6,992 0.226,993 14,995 1,996 4.233,997 186.633,999 10,1000 98.382,1001 2,1005 22.792,1006 12.865,1007 10.019,1009 25.263,1010 8.41,1013 11.683,1015 4.301,1018 598.619,1019 33,1031 60.149,1032 68.899,1034 0.25,1035 0.458,1036 0.656,1037 0.682,1038 0.693,1039 0.693,1040 4.714,1041 1.446,1042 5.533,1043 3.731,1044 4.263,1045 4.644,1046 3.847,1047 6.176,1048 4.157,1049 5.831,1050 1.032,1051 6.978,1052 3.068,1053 3.611,1054 4.205,1055 0.57,1056 6.676,1057 3.519,1058 7.061,1059 0.759,1060 8.512,1061 2.195,1062 5.687,1063 6.616,1064 6.135,1065 9.703,1066 5.526,1067 8.325,1068 0.711,1069 10.097,1070 1.776,1071 5.832,1072 7.09,1073 0.674,1074 11.046,1075 5.709,1076 9.625,1077 0.453,1078 11.717,1079 1.679,1080 7.348,1081 8.913,1082 8.5,1083 13.523,1084 7.163,1085 10.95,1086 -0.042,1087 13.361,1088 0.994,1089 7.897,1090 9.825,1091 0.66,1092 15.246,1093 7.753,1094 12.296,1095 -0.296,1096 15.023,1097 -0.096,1098 9.155,1099 11.383,1100 10.87,1101 17.499,1102 8.963,1103 2.763,1104 -0.364,1105 16.698,1106 -0.777,1107 9.922,1108 12.507,1109 0.611,1110 19.404,1111 9.762,1112 2.763,1113 7.971,1114 18.384,1115 -0.943,1116 11.054,1117 13.94,1118 13.241,1119 21.558,1120 10.858,1121 2.245,1122 7.971,1123 20.077,1124 3.735,1125 11.938,1126 15.165,1127 0.55,1128 23.551,1129 11.762,1130 2.242,1131 6.084,1132 21.777,1133 3.735,1134 13.008,1135 16.538,1136 15.613,1137 25.661,1138 12.806,1139 1.902,1140 6.084,1141 23.482,1142 2.508,1143 13.954,1144 17.811,1145 0.487,1146 27.696,1147 13.761,1148 1.78,1149 4.348,1150 25.191,1151 2.507,1152 14.995,1153 19.156,1154 17.984,1155 29.786,1156 14.782,1157 1.689,1158 4.341,1159 26.904,1160 1.971,1161 15.973,1162 20.452,1163 0.427,1164 31.842,1165 15.762,1166 11334,1167 16976,1168 18.375,1169 39.398,1170 40.182,1171 45.759,1172 40.171,1173 39.603,1174 39.572,1175 46.931,1176 17.445,1177 100.484,1178 37.187,1179 5.081,1180 6.012,1181 5.586,1182 4.866,1183 4.763,1184 6.347,1185 6.545,1186 13.548,1187 4.616,1188 14.782,1189 1.435,1190 1.634,1191 1.435,1192 1.414,1193 1.413,1194 1.676,1195 0.623,1196 3.589,1197 1.328,1198 3.966,1199 3.982,1200 4.011,1201 3.836,1202 5.044,1203 3.836,1204 3.929,1205 3.942,1206 3.962,1207 3.792,1208 5.024,1209 3.8,1210 3.708,1211 3.767,1212 3.749,1213 3.617,1214 4.277,1215 3.576,1216 3.549,1217 3.634,1218 3.695,1219 3.412,1220 4.267,1221 3.346,1222 3.543,1223 3.629,1224 3.394,1225 3.318,1226 4.144,1227 3.317,1228 3.361,1229 3.416,1230 3.353,1231 3.251,1232 3.855,1233 3.211,1234 3.115,1235 3.176,1236 3.224,1237 3.06,1238 3.628,1239 2.972,1240 2.983,1241 3.071,1242 2.776,1243 2.831,1244 3.62,1245 2.8,1246 0.147,1247 0.152,1248 0.203,1249 0.134,1250 0.099,1251 4.124,1252 0.133,1253 4.251,1254 0.117,1255 5.675,1256 0.285,1257 3.75,1258 0.097,1259 2.763,1260 3.735,1261 3.272,1262 7.971,1263 2.728,1264 1.742,1265 1.695,1266 1.962,1267 1.885,1268 1.345,1269 1.926,1270 1.647,1271 1.591,1272 1.869,1273 1.882,1274 1.054,1275 1.882,1276 1.646,1277 1.589,1278 1.867,1279 1.874,1280 1.032,1281 1.88,1282 1.575,1283 1.552,1284 1.705,1285 1.696,1286 1.031,1287 1.729,1288 1.517,1289 1.483,1290 1.685,1291 1.662,1292 0.919,1293 1.677,1294 1.344,1295 1.279,1296 1.59,1297 1.533,1298 0.813,1299 1.556,1300 1.293,1301 1.231,1302 1.532,1303 1.53,1304 0.665,1305 1.536,1306 1.235,1307 1.18,1308 1.507,1309 1.462,1310 0.653,1311 1.491,1312 4.043,1314 5.283,1315 3.045,1316 6.655,1317 5.283,1318 8.097,1319 7.248,1320 9.584,1322 8.247,1328 9.99,1331 3.947,1333 4.255,1340 35.275,1341 90.563,1342 165.813,1343 237.246,1344 246.755,1345 250.755,1346 250.755,1347 50.403,1348 6.663,1349 32.76,1350 83.36,1351 10,1352 11.874,1353 3.459,1354 2.585,1355 59.402,1356 156,1357 118,1358 0.178,1359 229.556,1360 391.38,1361 551.877,1362 7996,1364 19.485,1365 0.722,1366 0.698,1367 20.192,1368 18.834,1369 13.025,1370 0.465,1371 0.426,1372 9.694,1373 11.552,1374 9.015,1375 7.617,1376 14.025,1377 11.937,1378 11.402,1379 0.326,1380 0.274,1381 12.397,1382 9.588,1383 7.634,1384 0.201,1385 0.16,1386 8.746,1387 6.077,1388 6.393,1389 0.136,1390 0.097,1391 7.442,1392 4.541,1393 4.081,1394 0.093,1395 0.069,1396 5.073,1397 3.051,1398 0.305,1399 91.345,1400 0.233,1401 27.687,1402 0.427,1403 126,1404 330.482,1405 175.129,1406 353.178,1407 468.3,1408 334,1409 136,1410 302.105,1411 179.255,1412 326.787,1413 464.68,1414 298,1415 6.046}
{0 CHEMBL131825,1 1.455,2 10.231,3 4.133,4 17.081,5 103.071,6 6.892,7 0.414,8 4.025,9 4.15,10 3.544,11 3.541,12 5.044,13 3.513,14 4.606,15 4.802,16 3.963,17 3.979,18 5.577,19 3.938,20 4.849,21 5.031,22 4.07,23 4.192,24 5.793,25 4.118,26 5.076,27 5.32,28 3.967,29 4.224,30 6,31 4.111,32 5.005,33 5.249,34 3.786,35 4.109,36 5.947,37 3.962,38 4.912,39 5.211,40 3.563,41 3.872,42 5.746,43 3.719,44 4.49,45 4.724,46 3.488,47 3.646,48 5.463,49 3.55,50 4.396,51 4.607,52 3.469,53 3.603,54 5.463,55 3.531,56 0.025,57 0.749,58 11.547,59 4.703,60 8.708,61 6.542,62 0.421,63 1.256,64 22.427,65 7.584,66 30.355,67 11.052,68 0.152,69 1.562,70 27.95,71 10.626,72 24.134,73 14.985,74 0.419,75 1.767,76 37.363,77 12.353,78 53.231,79 17.859,80 0.335,81 1.56,82 34.641,83 12.647,84 52.394,85 17.814,86 0.452,87 1.288,88 33.217,89 11.138,90 53.29,91 15.943,92 0.288,93 0.944,94 20.8,95 7.349,96 31.129,97 10.202,98 0.341,99 0.901,100 18.933,101 6.108,102 38.287,103 8.488,104 26,105 44,106 0.245,107 0.546,108 0.722,109 0.836,110 0.854,111 0.854,112 3.305,113 0.931,114 -4.53,115 -4.46,116 -4.2,121 41.2,122 1,123 1,125 1,126 3,127 1,130 1,144 8,145 1,146 3,161 1,176 9,179 4,180 9,187 10,192 10,200 7,206 12,214 3,218 1,219 11,227 2,231 1,232 4,239 4,243 2,244 4,251 8,255 2,264 8,269 2,277 8,281 904,282 17.239,283 17.239,284 17.239,285 17.239,286 17.239,287 15.721,288 25.426,289 9.752,290 17.647,291 14.235,292 14.235,293 14.235,294 14.235,295 14.235,296 11.881,297 36.52,298 4.57,299 14.879,300 4.217,301 2.436,302 1.388,303 0.716,304 0.608,305 0.608,306 3.994,311 1,312 1,313 584,314 3.674,317 100.524,318 140.902,320 81.136,321 86.006,324 120.412,325 1.462,326 18.327,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 55.5,338 266,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.208,346 15.306,347 3.657,348 4.188,349 3.799,350 6.341,351 3.885,352 2.948,353 3.612,354 0.966,355 9.435,356 2.757,357 3.939,358 2.858,359 6.207,360 3.599,361 2.636,362 3.303,363 0.693,364 8.81,365 2.538,366 3.632,367 2.748,368 6.169,369 3.369,370 2.433,371 2.9,372 0.655,373 8.45,374 2.269,375 3.474,376 2.703,377 5.399,378 3.227,379 2.288,380 2.656,381 0.13,382 6.976,383 2.142,384 3.326,385 2.479,386 4.952,387 2.967,388 1.993,389 2.442,391 5.462,392 1.925,393 2.881,394 1.752,395 4.738,396 2.469,397 1.519,398 2.006,400 4.401,401 1.44,402 2.616,403 1.725,404 4.216,405 2.367,406 1.384,407 1.63,409 3.135,410 1.35,411 2.518,412 1.171,413 3.785,414 2.128,415 1.133,416 1.523,418 3.059,419 1.126,420 2.5,421 1.044,422 3.713,423 2,424 1,425 1.5,427 2.136,428 1,429 1.944,430 1,431 3.283,432 1.709,433 0.749,434 0.818,436 1.872,437 0.716,438 1.779,439 0.919,440 3.247,441 1.59,442 0.63,443 0.722,445 1.527,446 0.597,447 1.228,448 0.671,449 3.087,450 0.85,451 -0.112,452 -0.137,454 -0.286,455 -0.106,456 0.762,457 -0.015,458 2.717,459 0.639,460 -0.303,461 -0.316,463 -0.748,464 -0.284,465 0.673,466 -0.163,467 2.523,468 0.308,469 -0.678,470 -0.833,472 -1.608,473 -0.66,474 12.367,475 0.476,476 0.843,477 0.032,478 32.5,479 1.25,480 15,481 0.577,482 17.5,483 0.673,484 23.333,485 0.897,486 28.433,487 0.558,488 24.25,489 0.933,490 6.312,491 0.243,492 6.102,493 0.235,494 0.189,495 0.04,496 0.34,501 0.788,502 1.532,503 0.831,504 1.218,505 0.619,506 1.056,507 0.798,508 0.824,509 0.805,510 0.715,511 0.445,512 0.733,513 0.972,514 1.385,515 1.04,516 1.262,517 0.655,518 1.173,519 1.352,520 0.969,521 1.144,522 0.995,523 1.095,524 1.025,525 1.108,526 1.146,527 1.123,528 1.237,529 1.287,530 1.199,531 1.267,532 0.688,533 0.811,534 0.721,535 1.194,536 0.724,537 1.303,538 0.948,539 0.946,540 0.946,541 1.379,542 0.924,543 1.763,544 0.859,545 1.153,546 0.831,547 2.467,548 0.908,549 6,550 0.134,551 4.444,552 3.708,553 1.597,554 0.882,555 0.551,556 0.359,557 0.348,558 0.235,559 7856,560 17018,561 2.069,562 49,563 3,564 19,565 1,569 2,572 1.69,573 1.891,574 3.298,575 -0.798,577 1,582 74.204,583 1.455,584 3.236,585 4.284,586 4.956,587 5.064,588 5.064,589 2.705,590 4.287,591 4.675,592 3.449,593 1121.08,594 8.093,595 13653.7,597 1,599 1,600 289.294,601 1.693,602 4.603,603 0.207,604 0.007,605 0.101,606 0.079,607 0.04,608 0.028,609 0.021,610 0.014,611 0.014,612 0.011,613 0.523,614 0.5,615 1,616 0.638,617 126.047,618 0.021,619 -0.317,620 0.087,621 -0.129,622 -0.042,623 -0.034,624 0.253,625 0.345,626 0.176,627 0.266,628 0.196,629 0.226,630 -0.048,631 -0.282,632 -0.092,633 -0.226,634 0.043,635 -0.175,636 -0.18,637 0.044,638 -0.142,639 -0.042,640 -0.016,641 -0.074,642 -0.009,643 -0.212,644 -0.138,645 -0.245,646 -0.043,647 -0.214,648 0.01,649 0.136,650 0.221,651 0.223,652 -0.018,653 0.243,654 0.036,655 -0.001,656 0.068,657 0.038,658 -0.03,659 0.046,660 -0.16,661 0.177,662 -0.114,663 0.123,664 -0.241,665 0.022,666 2.048,667 5.522,668 0.692,669 20.503,670 0.994,671 1.127,672 3.302,673 10.901,674 0.653,675 3.401,676 3.807,677 4.159,678 4.477,679 4.673,680 4.736,681 4.92,682 5.004,683 5.017,684 5.081,685 6.007,686 0.614,687 351.49,688 3.401,689 4.99,690 5.889,691 6.819,692 7.738,693 8.677,694 9.608,695 10.553,696 11.492,697 12.442,698 5.9,701 1,704 1,705 1,715 8,720 4,722 12,736 1,737 1,741 51,743 13,744 2,745 29,747 54,748 21,749 12,750 4,751 8,756 4,757 7,763 1,764 1,766 1,767 1,770 1,772 13,773 8,777 1,782 1,786 1,790 1,793 25,794 5,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 4,868 26,876 2,878 1,880 1,881 3,882 1,893 3.9,896 1,898 1,901 13.75,902 10.433,903 5.542,904 2.997,907 2.088,908 1.275,909 0.961,910 4.204,911 9.691,912 3.611,913 4.19,914 4.736,915 5.27,916 5.749,917 5.899,918 6.26,919 6.518,920 6.639,921 6.828,922 0.857,923 47,924 9.643,926 4.142,927 0.026,929 7.593,931 18.786,933 15.949,936 2.093,937 54.417,939 1,940 1,941 294.278,942 135.17,943 9.373,945 36.145,948 135.17,949 330.422,950 9.373,951 34.014,952 7.765,953 75.81,954 25.145,955 31.191,956 18.534,957 282.506,959 294.278,960 144.542,961 36.145,964 270.735,965 59.687,968 19.714,969 124.828,972 294.278,973 45.518,974 135.17,977 294.278,978 25.345,979 119.197,981 36.145,982 294.278,983 45.518,984 135.17,986 0.603,987 0.374,988 0.204,989 0.105,990 24,991 11,992 0.056,993 3,994 2,995 1.222,996 3.683,997 231.994,998 0.222,999 18,1000 118.211,1005 17.379,1006 6.289,1007 2.72,1009 45.518,1010 15.507,1015 3.895,1018 474.965,1019 36,1024 12.522,1028 -0.382,1031 50.68,1032 57.481,1034 0.256,1035 0.571,1036 0.755,1037 0.874,1038 0.893,1039 0.893,1040 4.913,1041 1.384,1042 5.943,1043 4.401,1044 4.489,1045 4.875,1046 2.519,1047 6.897,1048 4.404,1049 6.134,1050 1.133,1051 7.602,1052 3.135,1053 4.369,1054 4.745,1055 1.961,1056 8.281,1057 4.245,1058 7.474,1059 1,1060 9.38,1061 3.059,1062 6.256,1063 6.991,1064 3.567,1065 11.454,1066 6.099,1067 8.852,1068 0.749,1069 11.233,1070 2.136,1071 6.976,1072 7.631,1073 3.677,1074 13.73,1075 6.798,1076 10.267,1077 0.63,1078 13.136,1079 1.872,1080 8.42,1081 9.419,1082 4.963,1083 16.551,1084 8.218,1085 11.709,1086 -0.112,1087 15.078,1088 1.527,1089 9.492,1090 10.418,1091 5.374,1092 19.139,1093 9.278,1094 13.175,1095 -0.303,1096 17.048,1097 -0.286,1098 10.814,1099 12.018,1100 6.459,1101 21.885,1102 10.583,1103 3.737,1104 -0.678,1105 19.041,1106 -0.748,1107 12.03,1108 13.206,1109 7.029,1110 24.571,1111 11.786,1112 2.948,1113 15.306,1114 21.052,1115 -1.608,1116 13.328,1117 14.717,1118 7.994,1119 27.302,1120 13.069,1121 2.636,1122 9.435,1123 23.078,1124 4.206,1125 14.6,1126 16.01,1127 8.654,1128 30.017,1129 14.327,1130 2.433,1131 8.81,1132 25.116,1133 3.612,1134 15.901,1135 17.477,1136 9.549,1137 32.746,1138 15.611,1139 2.288,1140 8.45,1141 27.162,1142 3.303,1143 17.196,1144 18.829,1145 10.263,1146 35.47,1147 16.89,1148 1.993,1149 6.976,1150 29.216,1151 2.9,1152 18.502,1153 20.275,1154 11.116,1155 38.198,1156 18.179,1157 1.519,1158 5.462,1159 31.276,1160 2.656,1161 19.809,1162 21.662,1163 11.862,1164 40.925,1165 19.467,1166 7473,1167 11134,1168 18.898,1169 33.302,1170 45.467,1171 46.155,1172 47.388,1173 44.959,1174 44.901,1175 54.635,1176 9.303,1177 141.141,1178 43.033,1179 5.797,1180 5.973,1181 7.808,1182 5.806,1183 5.737,1184 7.206,1185 3.912,1186 23.813,1187 5.657,1188 14.056,1189 1.568,1190 1.592,1191 1.634,1192 1.55,1193 1.548,1194 1.884,1195 0.321,1196 4.867,1197 1.484,1198 4.093,1199 4.131,1200 4.04,1201 3.996,1202 7.433,1203 4.002,1204 3.911,1205 3.947,1206 3.848,1207 3.829,1208 4.841,1209 3.827,1210 3.7,1211 3.742,1212 3.616,1213 3.563,1214 4.748,1215 3.567,1216 3.463,1217 3.513,1218 3.385,1219 3.204,1220 4.444,1221 3.241,1222 3.289,1223 3.385,1224 3.119,1225 3.062,1226 4.151,1227 3.062,1228 3.243,1229 3.338,1230 3.043,1231 3.037,1232 3.998,1233 3.025,1234 2.976,1235 3.093,1236 2.806,1237 2.762,1238 3.897,1239 2.731,1240 2.972,1241 3.014,1242 2.687,1243 2.735,1244 3.814,1245 2.715,1246 0.167,1247 0.137,1248 0.276,1249 0.163,1250 0.129,1251 4.832,1252 0.145,1253 3.973,1254 0.076,1255 8.006,1256 0.528,1257 4.714,1258 0.126,1259 3.737,1260 4.206,1261 2.208,1262 15.306,1263 3.657,1264 1.91,1265 1.889,1266 2.019,1267 2.019,1268 1.31,1269 2.017,1270 1.885,1271 1.856,1272 2,1273 1.973,1274 1.082,1275 1.983,1276 1.633,1277 1.577,1278 1.832,1279 1.836,1280 1.057,1281 1.837,1282 1.534,1283 1.454,1284 1.787,1285 1.755,1286 1.012,1287 1.775,1288 1.365,1289 1.306,1290 1.636,1291 1.643,1292 0.683,1293 1.636,1294 1.22,1295 1.124,1296 1.577,1297 1.485,1298 0.642,1299 1.521,1300 1.014,1301 0.899,1302 1.453,1303 1.291,1304 0.563,1305 1.354,1306 0.886,1307 0.833,1308 1.181,1309 1.209,1310 0.347,1311 1.176,1312 4.078,1314 5.46,1315 3.045,1316 7.043,1317 5.638,1318 8.72,1319 7.921,1320 10.453,1322 8.354,1328 2.179,1330 5.666,1332 0.357,1333 6.256,1334 0.062,1340 31.289,1341 74.204,1342 165.052,1343 218.5,1344 252.764,1345 258.274,1346 258.274,1347 39.139,1348 7.603,1349 36.02,1350 36.02,1351 22,1352 12.933,1353 3.807,1354 3,1355 38.148,1356 95,1357 94,1358 0.201,1359 190.52,1360 332.72,1361 456.628,1362 19923,1364 18.474,1365 0.711,1366 0.606,1367 18.474,1368 15.769,1369 12.415,1370 0.428,1371 0.31,1372 8.862,1373 11.928,1374 8.485,1375 7.088,1376 12.415,1377 8.998,1378 11.826,1379 0.269,1380 0.172,1381 11.826,1382 7.574,1383 10.61,1384 0.168,1385 0.094,1386 10.61,1387 5.924,1388 9.1,1389 0.105,1390 0.052,1391 9.1,1392 4.545,1393 7.051,1394 0.067,1395 0.028,1396 7.051,1397 3.002,1398 0.313,1399 77.785,1400 0.23,1401 24.835,1402 0.56,1403 146,1404 370.406,1405 159.719,1406 358.028,1407 500.8,1408 336,1409 180,1410 383.008,1411 195.139,1412 390.81,1413 578.36,1414 364,1415 6.353}
{0 CHEMBL131827,1 1.573,2 15.667,3 3.885,4 15.091,5 123.639,6 7.716,7 0.5,8 4.166,9 4.266,10 3.76,11 3.673,12 5.316,13 3.677,14 4.69,15 4.848,16 4.101,17 4.031,18 5.854,19 4.021,20 4.902,21 5.07,22 4.166,23 4.155,24 6.014,25 4.128,26 4.985,27 5.189,28 4.097,29 4.117,30 6.141,31 4.069,32 4.875,33 5.075,34 3.949,35 4.09,36 5.925,37 4.011,38 4.915,39 5.148,40 3.849,41 4.041,42 5.889,43 3.933,44 4.827,45 5.063,46 3.712,47 3.933,48 5.751,49 3.822,50 4.73,51 4.957,52 3.646,53 3.836,54 5.68,55 3.736,56 0.073,57 0.809,58 11.053,59 5.296,60 8.803,61 6.411,62 0.518,63 1.273,64 22.034,65 8.304,66 38.553,67 10.517,68 0.423,69 1.477,70 28.269,71 10.956,72 43.081,73 13.568,74 0.901,75 1.526,76 33.853,77 11.417,78 86.33,79 14.72,80 0.486,81 1.439,82 28.586,83 10.86,84 54.91,85 14.136,86 0.609,87 1.448,88 31.632,89 11.404,90 62.398,91 15.552,92 0.55,93 1.329,94 29.12,95 10.213,96 52.808,97 13.801,98 0.488,99 1.197,100 26.205,101 9.173,102 47.473,103 12.28,104 20,105 49,106 0.255,107 0.592,108 0.793,109 0.889,110 0.901,111 0.901,112 3.531,113 0.887,114 -3.21,115 -3.2,116 -3.07,121 43.1,123 1,126 2,127 3,144 9,145 3,146 3,147 1,149 1,159 1,161 1,176 8,179 2,180 14,183 2,187 9,192 10,200 5,205 4,206 12,211 2,214 7,218 1,219 4,224 2,227 6,231 2,232 7,237 1,239 4,243 1,244 5,247 1,251 1,255 1,256 5,264 3,268 1,269 2,274 1,277 6,281 1954,282 22.455,283 22.455,284 22.455,285 22.455,286 22.455,287 20.072,288 28.551,289 13.437,290 23.042,291 17.743,292 17.743,293 17.743,294 17.743,295 17.743,296 13.999,297 37.482,298 6.37,299 18.626,300 4.285,301 2.204,302 0.966,303 0.371,304 0.302,305 0.302,306 4.229,311 1,312 1,313 1120,314 4.123,318 379.144,322 285.638,325 2.303,326 35.244,329 1,330 1,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.88,337 72.5,338 517,339 4.553,340 3.692,341 6.774,342 4.198,343 3.215,344 4.198,345 2.186,346 11.061,347 3.169,348 4.105,349 3.66,350 6.011,351 3.723,352 2.761,353 3.688,354 0.916,355 8.529,356 2.661,357 4.048,358 3,359 5.681,360 3.606,361 2.643,362 3.676,363 0.86,364 7.996,365 2.544,366 3.672,367 2.98,368 5.408,369 3.38,370 2.451,371 2.964,372 0.86,373 6.914,374 2.26,375 3.617,376 2.82,377 5.29,378 3.221,379 2.271,380 2.885,381 0.366,382 6.814,383 2.144,384 3.378,385 2.633,386 5.124,387 3.113,388 2.159,389 2.517,390 0.172,391 6.041,392 2.04,393 3.307,394 2.491,395 4.861,396 2.938,397 2.008,398 2.501,400 5.591,401 1.844,402 3.08,403 2.166,404 4.584,405 2.763,406 1.792,407 2.167,409 4.811,410 1.728,411 2.904,412 1.708,413 4.125,414 2.422,415 1.453,416 2.08,418 3.384,419 1.403,420 2.715,421 1.571,422 3.719,423 2.317,424 1.361,425 1.811,427 3.094,428 1.293,429 2.663,430 1.37,431 3.58,432 2.224,433 1.255,434 1.733,436 2.927,437 1.211,438 2.478,439 1.298,440 3.493,441 2.17,442 1.181,443 1.451,445 2.598,446 1.164,447 2.364,448 1.275,449 3.466,450 1.861,451 0.853,452 1.247,454 2.039,455 0.851,456 1.552,457 1.101,458 2.989,459 1.343,460 0.421,461 0.457,463 0.974,464 0.384,465 1.507,466 0.764,467 2.911,468 1.298,469 0.382,470 0.409,472 0.558,473 0.346,474 15.367,475 0.466,476 0.729,477 0.022,478 44.25,479 1.341,480 22.5,481 0.682,482 21.75,483 0.659,484 25.604,485 0.776,486 35.633,487 0.614,488 35.232,489 1.068,490 9.108,491 0.276,492 6.921,493 0.21,494 0.108,496 0.319,501 0.789,502 1.365,503 0.737,504 1.168,505 0.591,506 0.977,507 0.876,508 0.9,509 0.844,510 0.886,511 0.565,512 0.847,513 1.169,514 1.143,515 0.958,516 1.113,517 0.868,518 1.015,519 1.151,520 0.879,521 0.98,522 0.867,523 1.125,524 0.887,525 0.973,526 1.099,527 1.074,528 1.116,529 1.063,530 1.12,531 0.797,532 1.026,533 0.986,534 1.046,535 0.658,536 1.06,537 0.941,538 0.958,539 1.082,540 1.032,541 0.785,542 1.079,543 1.021,544 1.055,545 1.097,546 1.074,547 0.849,548 1.101,549 6.5,550 0.165,551 2.889,552 2.375,553 1.853,554 0.813,555 0.645,556 0.33,557 0.267,558 0.138,559 18494,560 53873,561 2.079,562 43.1,564 21,566 1,567 1,570 2,572 1.744,573 1.96,574 3.901,575 -0.352,577 1,582 91.206,583 1.573,584 3.654,585 4.892,586 5.487,587 5.556,588 5.556,589 3.362,590 4.863,591 5.019,592 4.093,593 2161.34,594 8.74,595 35361.8,597 1,600 339.763,601 1.35,602 4.982,603 0.181,604 0.006,605 0.059,606 0.047,607 0.04,608 0.02,609 0.018,610 0.011,611 0.01,612 0.005,613 0.397,614 0.33,615 1,616 0.98,617 181.007,618 -0.04,619 -0.21,620 0.059,621 -0.114,622 -0.042,623 -0.025,624 0.096,625 0.207,626 0.067,627 0.097,628 0.114,629 0.088,630 -0.118,631 -0.143,632 -0.012,633 -0.105,634 -0.012,635 -0.047,636 0.027,637 0.078,638 0.041,639 0.103,640 0.049,641 0.079,642 -0.08,643 -0.111,644 -0.122,645 -0.113,646 -0.099,647 -0.126,648 0.05,649 -0.086,650 0.006,651 -0.053,652 0.032,653 -0.039,654 -0.051,655 -0.005,656 -0.082,657 -0.054,658 -0.061,659 -0.073,660 -0.077,661 -0.106,662 -0.096,663 -0.095,664 -0.072,665 -0.101,666 2.157,667 5.6,668 0.606,669 38.608,670 1.011,671 1.123,672 1.981,673 3.925,674 0.667,675 3.611,676 3.912,677 4.159,678 4.419,679 4.654,680 4.727,681 4.828,682 4.942,683 4.984,684 4.905,685 9.085,686 0.645,687 447.53,688 3.611,689 5.142,690 5.979,691 6.847,692 7.702,693 8.579,694 9.443,695 10.326,696 11.197,697 12.083,698 5.2,701 1,705 1,708 1,715 10,716 1,720 7,722 18,727 1,737 1,739 2,741 58,743 20,744 2,745 36,747 61,748 25,749 17,750 5,751 7,752 1,756 4,757 7,770 1,772 19,773 6,777 2,782 2,786 2,790 1,793 25,794 8,795 1,796 8,802 3,808 0.5,809 5,822 1,829 4,833 2,855 1,859 2,864 2,868 33,876 4,877 1,878 3,881 1,893 8.6,896 2,898 3,901 16.833,902 11.067,903 7.361,904 3.385,907 3.512,908 1.435,909 0.97,910 7.351,911 11.58,912 3.871,913 4.425,914 4.958,915 5.511,916 6.039,917 6.252,918 6.582,919 6.935,920 7.202,921 7.371,922 1,923 51,924 12.194,926 5.124,927 0.026,929 7.833,931 22.999,933 18.335,936 2.333,937 77,940 1,941 282.506,942 164.462,943 37.921,945 83.29,948 164.462,949 365.796,950 37.921,951 16.793,952 29.349,953 85.286,954 83.98,955 70.458,956 11.577,957 270.735,959 282.506,960 202.383,961 83.29,964 258.964,965 106.832,968 41.521,969 144.077,970 16.786,972 282.506,973 121.21,974 164.462,977 282.506,978 53.336,979 114.251,980 18.011,981 100.075,982 282.506,983 121.21,984 164.462,986 0.573,987 0.33,988 0.178,989 0.098,990 22,991 10,992 0.148,993 9,994 2,995 1.2,996 4.566,997 287.245,998 0.2,999 20,1000 166.465,1005 22.93,1006 10.58,1007 5.764,1009 121.21,1010 17.708,1011 4.134,1015 3.943,1017 18.011,1018 568.179,1019 47,1024 23.97,1028 -0.59,1031 58.662,1032 65.109,1034 0.268,1035 0.624,1036 0.835,1037 0.937,1038 0.948,1039 0.948,1040 5.097,1041 1.792,1042 5.948,1043 5.591,1044 4.595,1045 5.112,1046 2.639,1047 6.727,1048 4.508,1049 6.282,1050 1.453,1051 7.484,1052 4.811,1053 4.111,1054 4.832,1055 1.847,1056 7.551,1057 3.998,1058 7.572,1059 1.361,1060 9.118,1061 3.384,1062 6.155,1063 7.235,1064 3.582,1065 10.66,1066 5.996,1067 8.894,1068 1.255,1069 10.812,1070 3.094,1071 6.479,1072 7.753,1073 3.603,1074 12.333,1075 6.312,1076 10.248,1077 1.181,1078 12.546,1079 2.927,1080 7.983,1081 9.643,1082 4.922,1083 14.973,1084 7.78,1085 11.625,1086 0.853,1087 14.308,1088 2.598,1089 8.71,1090 10.56,1091 5.291,1092 17.035,1093 8.51,1094 13.022,1095 0.421,1096 16.094,1097 2.039,1098 9.989,1099 12.217,1100 6.39,1101 19.515,1102 9.764,1103 3.215,1104 0.382,1105 17.898,1106 0.974,1107 10.925,1108 13.35,1109 6.93,1110 21.76,1111 10.703,1112 2.761,1113 11.061,1114 19.717,1115 0.558,1116 12.111,1117 14.889,1118 7.902,1119 24.185,1120 11.874,1121 2.643,1122 8.529,1123 21.549,1124 4.198,1125 13.154,1126 16.144,1127 8.539,1128 26.514,1129 12.917,1130 2.451,1131 7.996,1132 23.392,1133 3.688,1134 14.308,1135 17.621,1136 9.436,1137 28.922,1138 14.06,1139 2.271,1140 6.914,1141 25.245,1142 3.676,1143 15.406,1144 18.946,1145 10.13,1146 31.289,1147 15.155,1148 2.159,1149 6.814,1150 27.107,1151 2.964,1152 16.553,1153 20.392,1154 10.981,1155 33.692,1156 16.292,1157 2.008,1158 6.041,1159 28.975,1160 2.885,1161 17.679,1162 21.757,1163 11.71,1164 36.077,1165 17.412,1166 17523,1167 30086,1168 24.156,1169 38.665,1170 52.893,1171 55.403,1172 54.569,1173 52.403,1174 52.41,1175 67.568,1176 10.723,1177 146.663,1178 50.087,1179 5.486,1180 5.692,1181 6.459,1182 5.302,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.169,1188 16.019,1189 1.469,1190 1.539,1191 1.516,1192 1.456,1193 1.456,1194 1.877,1195 0.298,1196 4.074,1197 1.391,1198 4.038,1199 4.049,1200 4.007,1201 3.939,1202 7.435,1203 3.952,1204 3.937,1205 3.965,1206 3.876,1207 3.854,1208 7.427,1209 3.855,1210 3.763,1211 3.796,1212 3.703,1213 3.663,1214 5.008,1215 3.668,1216 3.659,1217 3.721,1218 3.535,1219 3.485,1220 4.815,1221 3.484,1222 3.528,1223 3.589,1224 3.435,1225 3.218,1226 4.769,1227 3.263,1228 3.354,1229 3.423,1230 3.231,1231 3.136,1232 4.399,1233 3.146,1234 3.174,1235 3.194,1236 3.077,1237 3.016,1238 4.312,1239 3.026,1240 3.029,1241 3.084,1242 2.893,1243 2.807,1244 4.204,1245 2.799,1246 0.126,1247 0.103,1248 0.188,1249 0.117,1250 0.089,1251 4.553,1252 0.117,1253 3.692,1254 0.061,1255 6.774,1256 0.307,1257 4.198,1258 0.088,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.169,1264 1.963,1265 1.954,1266 2.037,1267 2.079,1268 1.254,1269 2.061,1270 1.91,1271 1.885,1272 2.023,1273 2.023,1274 1.136,1275 2.026,1276 1.737,1277 1.707,1278 1.894,1279 1.885,1280 1.103,1281 1.887,1282 1.636,1283 1.57,1284 1.828,1285 1.815,1286 0.897,1287 1.821,1288 1.404,1289 1.336,1290 1.691,1291 1.73,1292 0.78,1293 1.717,1294 1.321,1295 1.245,1296 1.63,1297 1.573,1298 0.681,1299 1.594,1300 1.109,1301 1.088,1302 1.355,1303 1.305,1304 0.498,1305 1.286,1306 1.003,1307 0.927,1308 1.252,1309 1.264,1310 0.413,1311 1.277,1312 4.29,1314 5.595,1316 7.096,1318 8.695,1320 10.351,1322 3.546,1328 2.863,1329 2.432,1330 16.828,1333 2.166,1340 37.433,1341 91.206,1342 211.956,1343 283.724,1344 318.253,1345 322.253,1346 322.253,1347 61.745,1348 8.068,1349 93.9,1350 93.9,1351 24,1352 12.618,1353 4.392,1354 3.585,1355 54.979,1356 186,1357 171,1358 0.142,1359 229.168,1360 406.83,1361 550.93,1362 44292,1364 23.209,1365 0.703,1366 0.562,1367 23.209,1368 18.538,1369 16.029,1370 0.445,1371 0.296,1372 10.453,1373 15.26,1374 10.188,1375 8.482,1376 16.029,1377 10.647,1378 14.179,1379 0.289,1380 0.157,1381 14.179,1382 7.672,1383 11.693,1384 0.186,1385 0.082,1386 11.693,1387 5.139,1388 9.716,1389 0.118,1390 0.043,1391 9.716,1392 3.539,1393 7.814,1394 0.075,1395 0.022,1396 7.814,1397 2.337,1398 0.235,1399 101.58,1400 0.203,1401 31.675,1402 0.357,1403 170,1404 566.301,1405 191.575,1406 531.424,1407 720.15,1408 498,1409 197,1410 525.907,1411 217.943,1412 526.319,1413 770.13,1414 493,1415 8.959}
{0 CHEMBL132030,1 1.471,2 5.75,3 2.996,4 8.973,5 61.955,6 7.458,7 0.611,8 3.481,9 3.606,10 3.054,11 3.085,12 4.578,13 3.055,14 4.024,15 4.191,16 3.441,17 3.504,18 5.072,19 3.45,20 4.321,21 4.544,22 3.559,23 3.614,24 5.381,25 3.552,26 4.288,27 4.518,28 3.454,29 3.487,30 5.56,31 3.417,32 4.173,33 4.427,34 3.011,35 3.307,36 5.227,37 3.186,38 3.967,39 4.253,40 2.566,41 3.021,42 4.869,43 2.836,44 3.647,45 3.97,46 1.894,47 2.51,48 4.563,49 2.28,50 2.905,51 3.28,52 0.611,53 1.605,54 3.638,55 1.285,56 0.02,57 0.495,58 5.82,59 2.74,60 6.209,61 3.513,62 0.019,63 0.817,64 10.88,65 4.972,66 9.163,67 6.543,68 0.106,69 1.059,70 16.38,71 6.218,72 21.762,73 8.373,74 0.296,75 1.068,76 16.304,77 5.484,78 49.557,79 7.48,80 0.213,81 0.867,82 15.148,83 5.062,84 38.248,85 6.671,86 0.131,87 0.652,88 12.827,89 4.804,90 27.898,91 6.435,92 0.156,93 0.465,94 10.21,95 3.566,96 29.943,97 4.569,98 0.088,99 0.18,100 5.135,101 1.635,102 15.457,103 2.243,104 5,105 26,106 0.284,107 0.674,108 0.772,109 0.843,110 0.87,111 0.87,112 2.857,113 0.938,114 -3.84,115 -3.8,116 -3.61,121 44.8,123 4,144 3,145 2,146 2,148 2,165 1,166 1,167 1,176 6,180 4,185 2,187 8,189 2,192 3,197 1,200 4,203 1,206 2,208 1,209 1,211 4,214 5,216 4,224 2,227 6,229 2,239 5,251 2,281 178,282 10.914,283 10.914,284 10.914,285 10.914,286 10.914,287 9.529,288 8.666,289 6.356,290 11.03,291 8.873,292 8.873,293 8.873,294 8.873,295 8.873,296 6.762,297 5.335,298 2.985,299 9.104,300 3.387,301 1.362,302 0.854,303 0.483,304 0.345,305 0.345,306 3.532,311 1,312 1,313 202,314 1.732,318 77.413,322 85.609,325 0.906,326 18.55,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 34.5,338 92,339 4.687,340 3.421,341 6.905,342 4.238,343 3.261,344 4.64,346 11.505,347 3.184,348 4.006,349 2.967,350 6.153,351 3.631,352 2.653,353 3.527,355 8.884,356 2.592,357 3.525,358 2.262,359 5.299,360 3.067,361 2.11,362 2.952,364 6.425,365 2.015,366 3.163,367 2.216,368 4.845,369 2.775,370 1.824,371 2.398,373 5.031,374 1.72,375 2.743,376 1.558,377 4.043,378 2.4,379 1.414,380 1.837,382 3.316,383 1.39,384 2.488,385 1.362,386 3.666,387 2.324,388 1.326,389 1.488,391 2.993,392 1.322,393 2.027,394 1.154,395 3.472,396 1.868,397 0.896,398 0.985,400 2.108,401 0.867,402 1.342,403 0.343,404 2.938,405 0.95,411 1.074,412 0.105,413 2.548,414 0.691,415 -0.222,416 -0.272,418 -0.539,419 -0.195,420 0.832,421 -0.42,422 2.337,423 0.457,424 -0.504,425 -0.633,427 -1.221,428 -0.483,429 0.27,430 -0.633,431 2,432 0.13,433 -0.856,434 -0.94,436 -2.048,437 -0.842,438 0.152,439 -0.97,440 1.834,441 -0.167,442 -1.137,443 -1.458,445 -3.024,446 -1.089,447 -0.102,448 -1.158,449 1.518,450 -0.51,451 -1.414,452 -1.797,454 -3.592,455 -1.298,456 -0.257,457 -1.385,458 1.315,459 -0.562,460 -1.529,461 -1.942,463 -4.536,464 -1.488,465 -0.5,466 -1.738,467 1.249,468 -0.851,469 -1.822,470 -2.203,472 -5.246,473 -1.747,474 7.586,475 0.474,476 0.401,477 0.025,478 20.5,479 1.281,480 10.5,481 0.656,482 10,483 0.625,484 11.433,485 0.715,486 17.014,487 0.587,488 11.896,489 0.744,490 3.745,491 0.234,492 4.026,493 0.252,494 0.09,496 0.395,499 1,501 0.622,502 0.898,503 0.759,504 0.897,505 0.612,506 0.858,507 0.547,508 1.04,509 0.749,510 1.062,511 0.5,512 0.975,513 0.847,514 1.085,515 0.809,516 0.977,517 0.785,518 0.903,519 0.953,520 1.029,521 1.032,522 1.056,523 0.905,524 1.055,525 1.376,526 0.999,527 1.34,528 1.033,529 1.369,530 1.134,531 1.024,532 0.994,533 1.129,534 1.113,535 1.12,536 1.143,537 1.606,538 1.051,539 1.218,540 0.98,541 1.729,542 1.029,543 1.407,544 0.727,545 1.038,546 0.683,547 1.491,548 0.776,549 2.5,551 2,552 1.625,553 1.311,554 0.41,555 0.1,556 0.028,559 1798,560 4441,561 2.135,562 44.8,563 6,564 3,567 2,568 2,572 1.559,573 2,574 2.577,575 0.39,577 1,578 1,579 1,582 42.67,583 1.471,584 3.496,585 4.004,586 4.375,587 4.513,588 4.513,589 1.924,590 3.25,591 3.979,592 2.59,593 310.851,594 6.732,595 2591.95,597 1,599 1,600 140.881,601 1.406,602 3.933,603 0.139,605 0.077,606 0.058,607 0.057,608 0.029,609 0.013,610 0.009,613 0.382,614 1,615 1,616 0.625,617 61.746,618 -0.059,619 0.072,620 0.023,621 0.11,622 -0.051,623 0.093,624 0.03,625 -0.134,626 0.082,627 -0.054,628 0.053,629 0.005,630 -0.009,631 -0.154,632 0.121,633 -0.017,634 0.011,635 0.056,636 0.149,637 -0.001,638 -0.06,639 -0.142,640 0.163,641 -0.149,642 -0.237,643 0.022,644 -0.347,645 -0.109,646 -0.22,647 -0.212,648 -0.059,649 -0.09,650 -0.121,651 -0.131,652 -0.107,653 -0.137,654 -0.147,655 0.023,656 -0.089,657 0.024,658 -0.192,659 -0.012,660 -0.099,661 0.185,662 0.142,663 0.299,664 -0.13,665 0.275,666 1.934,667 5.697,668 0.875,669 7.234,670 1.001,671 1.132,672 2.609,673 6.808,674 0.673,675 2.944,676 3.296,677 3.638,678 3.951,679 4.19,680 4.234,681 4.29,682 4.344,683 4.344,684 4.025,685 3.567,686 0.641,687 216.28,688 2.944,689 4.489,690 5.371,691 6.275,692 7.172,693 8.084,694 8.986,695 9.899,696 10.803,697 11.717,698 6.9,702 1,708 1,714 2,715 3,716 1,720 4,722 11,733 1,740 1,741 29,743 11,744 1,745 18,747 31,748 13,749 9,750 3,751 3,756 3,757 6,767 4,770 4,772 9,773 4,790 1,791 1,793 13,794 3,795 2,796 3,802 2,808 0.333,822 1,829 3,833 2,859 1,866 1,868 16,869 1,876 4,892 1,901 8,902 5.176,903 3.472,904 1.92,907 2.419,908 1.372,909 1.052,910 2.149,911 8.925,912 3.199,913 3.882,914 4.567,915 5.224,916 5.821,917 6.17,918 6.508,919 6.843,920 7.131,921 6.914,922 0.75,923 28,924 5.959,926 2.647,927 0.026,929 7.813,931 11.466,933 9.916,936 2.313,937 37,938 0.003,941 129.482,942 61.104,943 49.683,946 14.96,948 61.104,949 129.482,950 64.643,952 10.138,953 61.326,954 16.786,955 22.537,956 14.96,957 129.482,959 129.482,960 110.787,961 14.96,964 144.442,968 15.039,969 78.962,970 16.786,972 144.442,973 49.683,974 61.104,977 129.482,978 32.675,979 28.429,981 64.643,982 129.482,983 64.643,984 61.104,986 0.588,987 0.365,988 0.212,989 0.113,990 15,991 6,994 2,995 1.286,996 2.78,997 117.95,998 0.286,999 14,1000 64,1005 9.737,1006 3.532,1007 1.435,1008 1.168,1009 64.643,1010 4.943,1011 4.517,1015 2.444,1017 32.897,1018 255.229,1019 23.5,1031 29.018,1032 32.828,1034 0.303,1035 0.72,1036 0.824,1037 0.901,1038 0.929,1039 0.929,1040 4.44,1042 5.371,1043 2.108,1044 3.97,1045 4.564,1047 6.244,1048 3.916,1049 5.674,1050 -0.222,1051 6.967,1053 3.611,1054 4.559,1056 7.273,1057 3.509,1058 7.015,1059 -0.504,1060 8.67,1061 -0.539,1062 5.609,1063 6.913,1065 10.439,1066 5.509,1067 8.4,1068 -0.856,1069 10.437,1070 -1.221,1071 6.089,1072 7.751,1074 12.303,1075 5.945,1076 9.82,1077 -1.137,1078 12.243,1079 -2.048,1080 7.572,1081 9.601,1083 14.993,1084 7.427,1085 11.266,1086 -1.414,1087 14.077,1088 -3.024,1089 8.441,1090 10.821,1092 17.19,1093 8.26,1094 12.731,1095 -1.529,1096 15.93,1097 -3.592,1098 9.724,1099 12.476,1101 19.717,1102 9.534,1103 3.261,1104 -1.822,1105 17.797,1106 -4.536,1107 10.768,1108 13.87,1110 22.052,1111 10.545,1112 2.653,1113 11.505,1114 19.676,1115 -5.246,1116 11.977,1117 15.448,1119 24.522,1120 11.739,1121 2.11,1122 8.884,1123 21.563,1124 4.64,1125 13.095,1126 16.92,1128 26.916,1129 12.829,1130 1.824,1131 6.425,1132 23.457,1133 3.527,1134 14.28,1135 18.47,1137 29.366,1138 13.994,1139 1.414,1140 5.031,1141 25.356,1142 2.952,1143 15.431,1144 19.976,1146 31.785,1147 15.119,1148 1.326,1149 3.316,1150 27.26,1151 2.398,1152 16.608,1153 21.515,1155 34.229,1156 16.275,1157 0.896,1158 2.993,1159 29.168,1160 1.837,1161 17.774,1162 23.036,1164 36.66,1165 17.416,1166 1775,1167 2876,1168 12.137,1169 19.517,1170 27.077,1171 27.659,1172 28.423,1173 27.073,1174 26.969,1175 35.654,1177 80.524,1178 26.18,1179 5.632,1180 5.421,1181 6.587,1182 5.279,1183 5.261,1184 7.64,1186 19.059,1187 5.184,1188 6.024,1189 1.504,1190 1.537,1191 1.579,1192 1.504,1193 1.498,1194 1.981,1196 4.474,1197 1.454,1198 4.11,1199 4.139,1200 4.08,1201 4.034,1202 8.201,1203 4.041,1204 3.738,1205 3.785,1206 3.633,1207 3.65,1208 5.124,1209 3.639,1210 3.303,1211 3.375,1212 3.174,1213 3.168,1214 4.751,1215 3.161,1216 3.15,1217 3.225,1218 3.058,1219 2.969,1220 4.333,1221 2.973,1222 2.945,1223 3.03,1224 2.778,1225 2.761,1226 3.954,1227 2.755,1228 2.74,1229 2.858,1230 2.538,1231 2.547,1232 3.548,1233 2.531,1234 2.644,1235 2.713,1236 2.508,1237 2.354,1238 3.351,1239 2.381,1240 2.042,1241 2.187,1242 1.801,1243 1.718,1244 3.212,1245 1.706,1246 0.26,1247 0.19,1248 0.384,1249 0.235,1250 0.181,1251 4.687,1252 0.258,1253 3.421,1255 6.905,1256 0.639,1257 4.238,1258 0.177,1259 3.261,1260 4.64,1262 11.505,1263 3.184,1264 2.064,1265 2.04,1266 2.145,1267 2.159,1268 1.427,1269 2.155,1270 1.75,1271 1.706,1272 1.933,1273 1.873,1274 1.129,1275 1.897,1276 1.293,1277 1.236,1278 1.506,1279 1.493,1280 0.754,1281 1.502,1282 1.131,1283 1.056,1284 1.434,1285 1.35,1286 0.603,1287 1.379,1288 0.909,1289 0.843,1290 1.161,1291 1.18,1292 0.208,1293 1.187,1294 0.696,1295 0.623,1296 1.031,1297 1.008,1298 0.12,1299 1.009,1300 0.617,1301 0.499,1302 0.924,1303 0.853,1305 0.89,1306 0.058,1308 0.674,1309 0.452,1311 0.537,1312 3.611,1314 4.949,1316 6.521,1318 8.203,1320 9.941,1324 13.697,1326 6.061,1328 4.17,1340 18.587,1341 42.67,1342 101.372,1343 116.127,1344 126.881,1345 130.881,1346 130.881,1347 24.1,1348 6.506,1349 38.91,1350 38.91,1351 18,1352 12.231,1353 3.585,1354 2.7,1355 21.59,1356 37,1357 24,1358 0.333,1359 113.44,1360 189.45,1361 268.555,1362 4762,1363 3.4,1364 11.121,1365 0.695,1366 0.56,1367 10.251,1368 8.963,1369 7.771,1370 0.432,1371 0.313,1372 5.576,1373 7.565,1374 5.479,1375 4.505,1376 7.36,1377 5.626,1378 7.049,1379 0.271,1380 0.165,1381 6.512,1382 4.292,1383 6.292,1384 0.17,1385 0.089,1386 5.892,1387 3.28,1388 5.67,1389 0.111,1390 0.048,1391 5.149,1392 2.472,1393 4.472,1394 0.069,1395 0.028,1396 4.302,1397 1.801,1398 0.478,1399 48.188,1400 0.287,1401 15.465,1402 1.058,1403 88,1404 265.068,1405 94.912,1406 237.582,1407 325.6,1408 222,1409 107,1410 242.995,1411 113.989,1412 242.069,1413 360.04,1414 230,1415 7.108}
{0 CHEMBL13206,1 1.687,2 17.727,3 3.424,4 11.723,5 137.769,6 7.32,7 0.294,8 4.287,9 4.416,10 3.89,11 3.759,12 5.335,13 3.692,14 4.836,15 5.042,16 4.139,17 4.112,18 5.871,19 4.007,20 4.975,21 5.174,22 4.148,23 4.185,24 5.941,25 4.042,26 5.136,27 5.418,28 4.119,29 4.222,30 5.98,31 4.037,32 4.974,33 5.187,34 4.029,35 4.113,36 5.944,37 3.987,38 5.012,39 5.256,40 4.051,41 4.114,42 5.937,43 3.935,44 4.833,45 5.073,46 3.996,47 4.018,48 5.726,49 3.831,50 4.889,51 5.161,52 3.801,53 3.978,54 5.732,55 3.778,56 0.139,57 0.999,58 16.884,59 6.552,60 12.834,61 8.659,62 0.465,63 1.495,64 37.725,65 11.013,66 52.943,67 14.079,68 0.721,69 1.602,70 41.794,71 12.617,72 51.167,73 16.584,74 0.539,75 1.707,76 48.816,77 15.023,78 60.426,79 20.153,80 0.698,81 1.501,82 40.493,83 11.442,84 62.315,85 14.948,86 0.708,87 1.559,88 47.157,89 12.228,90 63.759,91 16.968,92 0.35,93 1.361,94 37.153,95 11.675,96 40.361,97 14.976,98 0.535,99 1.364,100 47.773,101 12.5,102 45.113,103 15.461,104 50,105 43,106 0.269,107 0.525,108 0.687,109 0.706,110 0.73,111 0.744,112 3.53,113 1.152,114 -2.38,115 -2.41,116 -2.36,121 32.4,126 4,127 8,139 1,141 1,144 4,154 4,168 2,176 2,179 1,180 4,183 1,191 2,192 4,195 3,196 1,197 2,200 2,206 2,209 2,214 2,219 1,232 5,235 2,237 4,244 2,249 2,255 1,256 1,268 3,269 4,272 4,274 2,277 1,281 2560,282 21.758,283 21.758,284 21.758,285 21.758,286 21.758,287 19.982,288 31.993,289 13.571,290 22.59,291 16.85,292 16.85,293 16.85,294 16.85,295 16.85,296 14.133,297 40.411,298 6.548,299 18.096,300 4.401,301 2.797,302 1.78,303 1.662,304 1.515,305 1.427,306 4.198,312 1,313 1195,314 5.196,317 248.748,325 3.085,326 28.148,329 1,330 0.5,331 0.83,332 1,333 1,334 0.67,335 0.5,336 0.79,337 72.5,338 585,339 4.21,340 4.25,341 5.91,342 3.75,343 2.764,344 3.783,345 3.272,346 8.133,347 2.728,348 4.124,349 4.25,350 5.675,351 3.75,352 2.763,353 3.735,354 3.272,355 7.971,356 2.728,357 4.124,358 3.796,359 5.675,360 3.663,361 2.721,362 3.735,363 2.624,364 7.971,365 2.559,366 3.371,367 2.997,368 5.03,369 3.178,370 2.244,371 2.507,372 0.916,373 6.084,374 2.097,375 3.371,376 2.997,377 5.029,378 3.177,379 2.243,380 2.507,381 0.916,382 6.084,383 2.097,384 3.14,385 2.698,386 4.338,387 2.728,388 1.83,389 2.211,390 0.457,391 4.344,392 1.643,393 2.923,394 2.694,395 4.338,396 2.709,397 1.804,398 1.957,399 0.4,400 4.343,401 1.634,402 2.914,403 2.342,404 3.954,405 2.606,406 1.658,407 1.951,408 0.172,409 3.607,410 1.56,411 2.71,412 2.254,413 3.782,414 2.527,415 1.593,416 1.715,417 0.172,418 3.45,419 1.465,420 2.576,421 2.208,422 3.57,423 2.194,424 1.292,425 1.553,427 2.85,428 1.142,429 2.23,430 1.777,431 3.306,432 1.876,433 1.025,434 1.145,436 2.219,437 0.855,438 2.21,439 1.714,440 3.276,441 1.757,442 0.776,443 1.082,445 1.799,446 0.756,447 2.058,448 1.578,449 3.22,450 1.697,451 0.72,452 0.983,454 1.705,455 0.699,456 1.798,457 1,458 2.933,459 1.477,460 0.584,461 0.689,463 1.316,464 0.512,465 1.285,466 0.952,467 2.634,468 1.103,469 0.198,470 0.211,472 0.444,473 0.175,474 16,475 0.485,476 0.757,477 0.023,478 33.25,479 1.008,480 12,481 0.364,482 21.25,483 0.644,484 34.785,485 1.054,486 39.2,487 0.576,488 24.514,489 0.743,490 6.221,491 0.189,492 9.608,493 0.291,494 0.167,496 0.231,501 0.705,502 1.526,503 0.811,504 1.136,505 0.555,506 1.135,507 1.016,508 1.05,509 1.265,510 1.158,511 0.456,512 0.964,513 1.034,514 1.167,515 1.163,516 1.257,517 0.69,518 1.263,519 0.678,520 0.939,521 0.809,522 0.896,523 0.732,524 0.856,525 1.765,526 0.951,527 1.169,528 0.914,529 1.499,530 1.018,531 1.007,532 1.144,533 1.142,534 1.219,535 1.351,536 1.133,537 0.839,538 1.224,539 0.999,540 1.169,541 1.034,542 1.116,543 0.949,544 1.025,545 1.552,546 1.33,547 0.995,548 0.929,549 7,550 0.196,551 2,552 2.014,553 0.97,554 0.869,555 0.356,556 0.269,557 0.253,558 0.225,559 18992,560 51623,561 1.945,562 51.5,564 32,565 1,567 2,572 1.744,573 1.817,574 4.067,575 0.282,582 114.705,583 1.687,584 3.29,585 4.308,586 4.425,587 4.572,588 4.661,589 3.506,590 4.863,591 5.015,592 4.32,593 2281.04,594 8.736,595 40588.6,600 413.947,601 1.401,602 4.969,603 0.206,604 0.006,605 0.047,606 0.054,607 0.026,608 0.025,609 0.012,610 0.009,611 0.009,612 0.007,613 0.401,614 0.33,615 0.75,616 1.16,617 185.456,618 0.112,619 -0.211,620 0.085,621 -0.036,622 0.021,623 -0.048,624 -0.035,625 0.14,626 -0.085,627 -0.001,628 0.216,629 0.059,630 0.045,631 -0.075,632 -0.13,633 -0.18,634 0.001,635 -0.241,636 0.103,637 -0.014,638 0.171,639 0.089,640 0.08,641 0.143,642 -0.358,643 0.063,644 -0.167,645 0.062,646 -0.259,647 -0.063,648 -0.01,649 -0.138,650 -0.037,651 -0.14,652 -0.129,653 -0.128,654 -0.005,655 -0.198,656 0.081,657 -0.063,658 -0.034,659 -0.079,660 -0.046,661 0.001,662 -0.138,663 -0.061,664 -0.015,665 0.098,666 2.403,667 4.247,668 0.303,669 48.775,670 1.003,671 1.138,672 1.146,673 1.314,674 0.641,675 3.555,676 3.784,677 3.871,678 4.043,679 3.989,680 4.007,681 3.989,682 3.829,683 3.871,684 3.912,685 10.443,686 0.592,687 497.76,688 3.555,689 5.043,690 5.814,691 6.635,692 7.424,693 8.247,694 9.045,695 9.869,696 10.672,697 11.497,698 7.4,700 2,701 2,710 1,715 4,718 2,720 4,722 10,741 68,743 13,745 34,747 69,748 22,749 8,756 2,757 2,772 10,773 12,777 3,779 1,782 2,784 1,786 1,792 2,793 35,794 8,795 2,796 11,797 2,802 5,808 1,809 4,828 2,853 2,854 1,855 2,859 2,860 2,862 2,864 4,868 33,876 8,877 2,879 2,881 2,893 5.9,898 2,899 2,901 18.167,902 13.017,903 7.528,904 3.651,907 1.968,908 1.282,909 0.917,910 13.232,911 8.935,912 3.761,913 4.227,914 4.582,915 4.998,916 4.985,917 5.059,918 5.101,919 4.866,920 5.012,921 5.277,922 0.917,923 37,924 12.2,926 4.807,927 0.026,929 7.742,931 23.457,933 17.877,936 2.242,937 74,941 388.446,942 181.122,943 47.94,945 69.762,947 64.439,948 116.683,949 458.208,950 47.94,951 39.256,952 21.069,953 73.926,955 27.591,956 33.566,957 441.114,958 50.747,959 388.446,960 164.623,961 69.762,962 64.439,964 388.446,965 19.015,966 50.747,968 54.292,969 110.331,971 64.439,972 388.446,973 117.702,974 181.122,977 388.446,978 100.584,979 92.457,980 36.022,981 69.762,982 388.446,983 117.702,984 181.122,986 0.559,987 0.286,988 0.152,989 0.073,990 14,991 8,992 0.246,993 17,995 1,996 4.706,997 247.933,999 10,1000 158.465,1001 2,1005 27.981,1006 15.606,1007 12.136,1009 112.032,1010 7.975,1013 11.543,1015 3.759,1017 36.022,1018 687.27,1019 42,1021 -0.403,1024 22.494,1026 1.438,1028 -0.022,1031 68.225,1032 77.397,1034 0.277,1035 0.54,1036 0.708,1037 0.727,1038 0.751,1039 0.766,1040 4.959,1041 1.658,1042 5.753,1043 4.343,1044 4.466,1045 4.913,1046 4.078,1047 6.415,1048 4.348,1049 6.106,1050 1.593,1051 7.219,1052 3.607,1053 3.892,1054 4.635,1055 2.431,1056 7.008,1057 3.784,1058 7.363,1059 1.292,1060 8.778,1061 3.45,1062 5.916,1063 6.942,1064 6.265,1065 10.006,1066 5.725,1067 8.654,1068 1.025,1069 10.39,1070 2.85,1071 6.133,1072 7.539,1073 4.545,1074 11.426,1075 5.971,1076 9.979,1077 0.776,1078 12.039,1079 2.219,1080 7.61,1081 9.286,1082 8.576,1083 13.886,1084 7.375,1085 11.327,1086 0.72,1087 13.712,1088 1.799,1089 8.211,1090 10.277,1091 6.595,1092 15.664,1093 8.002,1094 12.693,1095 0.584,1096 15.403,1097 1.705,1098 9.445,1099 11.791,1100 10.917,1101 17.909,1102 9.179,1103 2.764,1104 0.198,1105 17.107,1106 1.316,1107 10.245,1108 12.962,1109 8.594,1110 19.85,1111 9.993,1112 2.763,1113 8.133,1114 18.821,1115 0.444,1116 11.362,1117 14.372,1118 13.27,1119 22.004,1120 11.067,1121 2.721,1122 7.971,1123 20.542,1124 3.783,1125 12.264,1126 15.625,1127 10.562,1128 24.021,1129 11.973,1130 2.244,1131 7.971,1132 22.27,1133 3.735,1134 13.326,1135 16.988,1136 15.631,1137 26.135,1138 13.002,1139 2.243,1140 6.084,1141 24.003,1142 3.735,1143 14.28,1144 18.278,1145 12.514,1146 28.187,1147 13.952,1148 1.83,1149 6.084,1150 25.739,1151 2.507,1152 15.314,1153 19.62,1154 17.995,1155 30.284,1156 14.961,1157 1.804,1158 4.344,1159 27.479,1160 2.507,1161 16.296,1162 20.928,1163 14.456,1164 32.353,1165 15.934,1166 18965,1167 31513,1168 21.959,1169 43.563,1170 49.027,1171 55.122,1172 49.465,1173 48.409,1174 48.427,1175 59.526,1176 24.408,1177 124.642,1178 45.303,1179 5.139,1180 6.012,1181 5.738,1182 4.87,1183 4.764,1184 6.395,1185 6.545,1186 13.711,1187 4.616,1188 20.315,1189 1.442,1190 1.621,1191 1.455,1192 1.424,1193 1.424,1194 1.751,1195 0.718,1196 3.666,1197 1.332,1198 3.971,1199 3.991,1200 4.011,1201 3.83,1202 7.815,1203 3.835,1204 3.93,1205 3.942,1206 3.969,1207 3.794,1208 6.999,1209 3.801,1210 3.861,1211 3.904,1212 3.83,1213 3.591,1214 5.044,1215 3.619,1216 3.569,1217 3.647,1218 3.717,1219 3.463,1220 5.025,1221 3.393,1222 3.556,1223 3.638,1224 3.694,1225 3.375,1226 4.497,1227 3.345,1228 3.502,1229 3.578,1230 3.371,1231 3.278,1232 4.277,1233 3.278,1234 3.463,1235 3.518,1236 3.361,1237 3.253,1238 4.267,1239 3.239,1240 3.135,1241 3.191,1242 3.189,1243 2.941,1244 4.122,1245 2.909,1246 0.124,1247 0.125,1248 0.174,1249 0.11,1250 0.081,1251 4.21,1252 0.111,1253 4.25,1254 0.096,1255 5.91,1256 0.239,1257 3.75,1258 0.08,1259 2.764,1260 3.783,1261 3.272,1262 8.133,1263 2.728,1264 1.714,1265 1.663,1266 1.869,1267 2.025,1268 1.133,1269 1.958,1270 1.647,1271 1.593,1272 1.867,1273 1.882,1274 1.109,1275 1.882,1276 1.647,1277 1.589,1278 1.855,1279 1.881,1280 1.033,1281 1.88,1282 1.602,1283 1.571,1284 1.753,1285 1.748,1286 1.031,1287 1.784,1288 1.551,1289 1.526,1290 1.688,1291 1.715,1292 0.881,1293 1.725,1294 1.431,1295 1.367,1296 1.664,1297 1.635,1298 0.856,1299 1.638,1300 1.345,1301 1.288,1302 1.546,1303 1.603,1304 0.665,1305 1.59,1306 1.28,1307 1.219,1308 1.526,1309 1.53,1310 0.657,1311 1.533,1312 4.234,1314 5.485,1315 3.045,1316 6.87,1317 5.283,1318 8.324,1319 7.248,1320 9.82,1322 8.01,1328 5.785,1329 5.907,1331 3.396,1333 4.117,1340 40.242,1341 114.705,1342 223.732,1343 292.928,1344 300.928,1345 310.928,1346 316.928,1347 88.366,1348 6.968,1349 102.64,1350 153.24,1351 10,1352 12.079,1353 3.807,1354 3.17,1355 81.678,1356 204,1357 186,1358 0.18,1359 261.669,1360 453.98,1361 630.233,1362 11852,1364 24.054,1365 0.729,1366 0.651,1367 24.761,1368 21.468,1369 15.829,1370 0.466,1371 0.384,1372 10.732,1373 13.978,1374 10.081,1375 8.482,1376 16.829,1377 13.061,1378 13.983,1379 0.325,1380 0.237,1381 14.979,1382 10.195,1383 9.477,1384 0.202,1385 0.132,1386 10.589,1387 6.209,1388 7.663,1389 0.137,1390 0.078,1391 8.696,1392 4.368,1393 4.956,1394 0.094,1395 0.053,1396 5.955,1397 2.797,1398 0.306,1399 111.025,1400 0.213,1401 32.507,1402 0.44,1403 154,1404 512.264,1405 212.47,1406 519.906,1407 675.49,1408 484,1409 167,1410 448.569,1411 220.127,1412 465.545,1413 658.84,1414 426,1415 7.131}
{0 CHEMBL13214,1 1.626,2 17.167,3 3.285,4 10.789,5 128.219,6 7.105,7 0.323,8 4.218,9 4.349,10 3.804,11 3.708,12 5.202,13 3.63,14 4.78,15 4.993,16 4.056,17 4.061,18 5.705,19 3.94,20 4.911,21 5.11,22 4.034,23 4.124,24 5.803,25 3.967,26 5.056,27 5.344,28 4,29 4.148,30 5.827,31 3.944,32 4.86,33 5.075,34 3.958,35 4.012,36 5.791,37 3.875,38 4.875,39 5.137,40 3.769,41 4.026,42 5.623,43 3.805,44 4.739,45 4.988,46 3.782,47 3.917,48 5.585,49 3.706,50 4.758,51 5.032,52 3.761,53 3.884,54 5.643,55 3.643,56 0.035,57 0.933,58 16.473,59 6.376,60 9.241,61 8.415,62 0.426,63 1.42,64 36.502,65 10.749,66 31.716,67 13.69,68 0.57,69 1.496,70 40.253,71 12.126,72 38.313,73 15.808,74 0.358,75 1.589,76 45.289,77 14.416,78 41.752,79 18.885,80 0.613,81 1.354,82 38.114,83 10.445,84 49.105,85 13.8,86 0.393,87 1.402,88 38.945,89 12.265,90 28.927,91 16.413,92 0.283,93 1.248,94 34.154,95 10.837,96 33.13,97 13.72,98 0.605,99 1.234,100 45.736,101 12.422,102 50.275,103 14.458,104 34,105 39,106 0.264,107 0.507,108 0.668,109 0.678,110 0.688,111 0.688,112 3.438,113 1.195,114 -1.95,115 -2.01,116 -2,121 32.8,126 4,127 8,144 4,154 4,161 1,176 2,180 4,183 2,184 1,191 2,192 4,197 2,200 2,206 2,214 2,219 2,224 2,232 2,235 2,237 2,249 2,255 2,256 2,259 2,261 2,264 1,269 2,272 2,274 2,281 1848,282 19.844,283 19.844,284 19.844,285 19.844,286 19.844,287 18.502,288 28.85,289 12.436,290 20.601,291 15.382,292 15.382,293 15.382,294 15.382,295 15.382,296 13.236,297 35.009,298 6.043,299 16.491,300 4.374,301 2.884,302 1.891,303 1.828,304 1.766,305 1.766,306 4.106,311 1,312 1,313 1055,314 4.796,317 221.634,325 2.889,326 20.996,329 1,330 0.67,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.83,337 65,338 515,339 4.124,340 4.251,341 5.675,342 3.75,343 2.763,344 3.735,345 3.272,346 7.971,347 2.728,348 4.124,349 4.25,350 5.675,351 3.75,352 2.763,353 3.735,354 3.272,355 7.971,356 2.728,357 3.659,358 3.527,359 5.039,360 3.351,361 2.383,362 2.828,363 1.656,364 6.106,365 2.288,366 3.371,367 2.997,368 5.03,369 3.177,370 2.243,371 2.507,372 0.916,373 6.084,374 2.097,375 3.37,376 2.995,377 5.025,378 3.175,379 2.239,380 2.507,381 0.916,382 6.07,383 2.096,384 2.921,385 2.692,386 4.338,387 2.709,388 1.806,389 1.956,390 0.247,391 4.344,392 1.634,393 2.916,394 2.688,395 4.338,396 2.693,397 1.774,398 1.952,399 0.172,400 4.341,401 1.628,402 2.66,403 2.25,404 3.746,405 2.5,406 1.577,407 1.665,408 0.172,409 3.389,410 1.429,411 2.568,412 2.246,413 3.604,414 2.339,415 1.443,416 1.558,418 3.089,419 1.259,420 2.217,421 1.738,422 3.288,423 1.8,424 0.906,425 1.103,427 1.992,428 0.795,429 2.209,430 1.732,431 3.275,432 1.759,433 0.777,434 1.08,436 1.796,437 0.758,438 1.906,439 1.352,440 3.142,441 1.621,442 0.692,443 0.859,445 1.628,446 0.636,447 1.777,448 1.338,449 2.871,450 1.472,451 0.57,452 0.655,454 1.251,455 0.501,456 1.034,457 0.759,458 2.532,459 0.866,460 -0.037,461 -0.039,463 -0.087,464 -0.032,465 1.027,466 0.758,467 2.393,468 0.75,469 -0.197,470 -0.221,472 -0.463,473 -0.18,474 14.767,475 0.492,476 0.667,477 0.022,478 28.75,479 0.958,480 9.5,481 0.317,482 19.25,483 0.642,484 31.811,485 1.06,486 35.633,487 0.557,488 19.277,489 0.643,490 5.265,491 0.175,492 9.154,493 0.305,494 0.158,496 0.223,501 0.898,502 1.567,503 0.836,504 1.151,505 0.669,506 1.146,507 1.111,508 0.975,509 1.293,510 1.13,511 0.604,512 0.953,513 1.377,514 1.224,515 1.216,516 1.257,517 1.279,518 1.268,519 0.794,520 0.921,521 0.823,522 0.882,523 1.008,524 0.838,525 1.892,526 0.968,527 1.123,528 0.959,529 1.761,530 1.022,531 0.641,532 1.157,533 1.093,534 1.203,535 0.628,536 1.157,537 1.042,538 1.168,539 1.147,540 1.133,541 1.411,542 1.104,543 0.529,544 1.054,545 1.518,546 1.385,547 0.569,548 0.961,549 6.5,550 0.09,551 1.556,552 1.764,553 0.81,554 0.758,555 0.234,556 0.3,557 0.173,558 0.199,559 15225,560 38206,561 1.959,562 53.1,564 32,567 2,572 1.716,573 1.837,574 4.033,575 0.276,582 104.033,583 1.626,584 3.116,585 4.109,586 4.172,587 4.234,588 4.234,589 3.482,590 3.84,591 4.879,592 4.273,593 1858.89,594 8.443,595 31228.8,597 1,600 384,601 1.363,602 4.837,603 0.21,604 0.004,605 0.04,606 0.055,607 0.025,608 0.025,609 0.009,610 0.013,611 0.007,612 0.008,613 0.396,614 0.33,615 0.88,616 1.115,617 164.663,618 -0.021,619 -0.272,620 0.084,621 -0.056,622 -0.018,623 -0.044,624 -0.013,625 0.215,626 -0.085,627 0.014,628 0.134,629 0.062,630 -0.091,631 -0.154,632 -0.161,633 -0.185,634 -0.194,635 -0.25,636 0.038,637 -0.003,638 0.161,639 0.1,640 0.029,641 0.148,642 -0.305,643 0.045,644 -0.095,645 0.028,646 -0.269,647 -0.062,648 0.09,649 -0.161,650 -0.062,651 -0.144,652 0.008,653 -0.131,654 -0.096,655 -0.139,656 -0.032,657 -0.04,658 -0.094,659 -0.09,660 0.347,661 -0.016,662 -0.034,663 -0.063,664 0.413,665 0.08,666 1.784,667 4.834,668 0.333,669 41.04,670 0.997,671 1.136,672 0.723,673 0.523,674 0.642,675 3.466,676 3.689,677 3.761,678 3.951,679 3.892,680 3.912,681 3.892,682 3.738,683 3.714,684 3.738,685 10.163,686 0.586,687 454.73,688 3.466,689 4.949,690 5.714,691 6.532,692 7.315,693 8.138,694 8.931,695 9.756,696 10.555,697 11.381,698 6.3,701 2,705 2,715 4,718 2,720 4,722 10,741 64,743 11,745 31,747 65,748 21,749 8,756 2,757 2,761 1,772 9,773 12,777 1,782 1,786 1,792 2,793 34,794 7,795 2,796 9,797 2,802 4,808 1,809 3,828 2,855 2,859 2,860 2,862 2,864 4,868 30,876 8,877 2,879 2,881 2,893 4.7,896 1,898 2,901 16.333,902 12.317,903 6.833,904 3.472,907 1.467,908 1.215,909 0.922,910 12.023,911 8.289,912 3.638,913 4.069,914 4.416,915 4.884,916 4.862,917 4.938,918 4.978,919 4.716,920 4.76,921 4.896,922 1,923 32,924 11.109,926 4.342,927 0.026,929 7.6,931 21.665,933 16.582,936 2.1,937 63,941 376.675,942 174.022,943 42.27,945 44.16,947 64.439,948 109.583,949 420.835,950 42.27,951 33.586,952 48.043,953 37.905,954 25.145,955 25.263,956 26.071,957 441.114,959 376.675,960 151.853,961 44.16,962 64.439,964 376.675,965 44.16,968 54.292,969 97.562,971 64.439,972 376.675,973 86.43,974 174.022,977 376.675,978 102.532,979 77.739,980 36.022,981 44.16,982 376.675,983 86.43,984 174.022,986 0.557,987 0.279,988 0.15,989 0.073,990 13,991 7,992 0.215,993 14,995 1,996 4.498,997 215.275,999 10,1000 115.207,1001 2,1005 25.365,1006 14.22,1007 11.35,1009 86.43,1010 8.091,1013 11.55,1015 3.909,1017 36.022,1018 637.127,1019 37,1024 11.834,1028 -0.117,1031 63.796,1032 72.689,1034 0.271,1035 0.519,1036 0.685,1037 0.695,1038 0.706,1039 0.706,1040 4.832,1041 1.577,1042 5.645,1043 4.341,1044 4.369,1045 4.754,1046 3.944,1047 6.29,1048 4.258,1049 5.958,1050 1.443,1051 7.096,1052 3.389,1053 3.761,1054 4.369,1055 1.404,1056 6.804,1057 3.678,1058 7.194,1059 0.906,1060 8.633,1061 3.089,1062 5.802,1063 6.713,1064 6.157,1065 9.806,1066 5.628,1067 8.461,1068 0.777,1069 10.22,1070 1.992,1071 5.969,1072 7.201,1073 2.414,1074 11.137,1075 5.847,1076 9.762,1077 0.692,1078 11.839,1079 1.796,1080 7.462,1081 8.985,1082 8.505,1083 13.6,1084 7.261,1085 11.085,1086 0.57,1087 13.48,1088 1.628,1089 8.015,1090 9.893,1091 3.438,1092 15.307,1093 7.865,1094 12.425,1095 -0.037,1096 15.137,1097 1.251,1098 9.259,1099 11.43,1100 10.872,1101 17.55,1102 9.048,1103 2.763,1104 -0.197,1105 16.806,1106 -0.087,1107 10.02,1108 12.547,1109 4.474,1110 19.443,1111 9.848,1112 2.763,1113 7.971,1114 18.485,1115 -0.463,1116 11.142,1117 13.968,1118 13.242,1119 21.59,1120 10.927,1121 2.383,1122 7.971,1123 20.171,1124 3.735,1125 12.017,1126 15.188,1127 5.507,1128 23.574,1129 11.826,1130 2.243,1131 6.106,1132 21.864,1133 3.735,1134 13.08,1135 16.555,1136 15.613,1137 25.68,1138 12.858,1139 2.239,1140 6.084,1141 23.562,1142 2.828,1143 14.017,1144 17.825,1145 6.532,1146 27.71,1147 13.808,1148 1.806,1149 6.07,1150 25.265,1151 2.507,1152 15.051,1153 19.166,1154 17.984,1155 29.798,1156 14.821,1157 1.774,1158 4.344,1159 26.971,1160 2.507,1161 16.022,1162 20.46,1163 7.551,1164 31.85,1165 15.796,1166 15169,1167 24200,1168 20.167,1169 41.103,1170 44.606,1171 50.896,1172 44.707,1173 43.87,1174 43.876,1175 52.28,1176 21.251,1177 112.064,1178 41.153,1179 5.091,1180 6.012,1181 5.462,1182 4.876,1183 4.763,1184 6.346,1185 6.545,1186 13.549,1187 4.616,1188 17.544,1189 1.439,1190 1.642,1191 1.442,1192 1.415,1193 1.415,1194 1.686,1195 0.686,1196 3.615,1197 1.328,1198 3.965,1199 3.982,1200 4.006,1201 3.828,1202 7.431,1203 3.833,1204 3.93,1205 3.942,1206 3.968,1207 3.793,1208 5.044,1209 3.801,1210 3.7,1211 3.765,1212 3.742,1213 3.519,1214 5.025,1215 3.494,1216 3.56,1217 3.641,1218 3.713,1219 3.455,1220 4.278,1221 3.381,1222 3.546,1223 3.632,1224 3.483,1225 3.314,1226 4.267,1227 3.319,1228 3.47,1229 3.543,1230 3.359,1231 3.274,1232 4.244,1233 3.269,1234 3.229,1235 3.268,1236 3.343,1237 3.096,1238 4.048,1239 3.055,1240 3.05,1241 3.128,1242 2.984,1243 2.915,1244 3.71,1245 2.873,1246 0.133,1247 0.137,1248 0.183,1249 0.121,1250 0.089,1251 4.124,1252 0.12,1253 4.251,1254 0.106,1255 5.675,1256 0.257,1257 3.75,1258 0.088,1259 2.763,1260 3.735,1261 3.272,1262 7.971,1263 2.728,1264 1.654,1265 1.609,1266 1.869,1267 1.884,1268 1.127,1269 1.882,1270 1.648,1271 1.592,1272 1.867,1273 1.883,1274 1.103,1275 1.881,1276 1.64,1277 1.586,1278 1.812,1279 1.873,1280 1.033,1281 1.87,1282 1.596,1283 1.568,1284 1.742,1285 1.727,1286 1.032,1287 1.769,1288 1.499,1289 1.452,1290 1.678,1291 1.671,1292 0.868,1293 1.68,1294 1.415,1295 1.35,1296 1.658,1297 1.603,1298 0.853,1299 1.622,1300 1.295,1301 1.233,1302 1.53,1303 1.53,1304 0.659,1305 1.538,1306 1.276,1307 1.215,1308 1.524,1309 1.529,1310 0.657,1311 1.53,1312 4.143,1314 5.389,1315 3.045,1316 6.765,1317 5.283,1318 8.207,1319 7.248,1320 9.692,1322 8.085,1328 6.214,1329 5.78,1331 3.496,1333 4.159,1340 37.506,1341 104.033,1342 199.394,1343 262.98,1344 266.98,1345 270.98,1346 270.98,1347 67.184,1348 6.822,1349 73.89,1350 124.49,1351 10,1352 11.964,1353 3.585,1354 2.807,1355 70.248,1356 185,1357 150,1358 0.174,1359 244.214,1360 419.53,1361 587.641,1362 10015,1364 21.769,1365 0.726,1366 0.668,1367 22.476,1368 20.035,1369 14.419,1370 0.465,1371 0.398,1372 10.051,1373 12.745,1374 9.396,1375 7.903,1376 15.419,1377 12.349,1378 12.73,1379 0.326,1380 0.249,1381 13.726,1382 9.71,1383 8.528,1384 0.203,1385 0.14,1386 9.64,1387 5.894,1388 6.992,1389 0.137,1390 0.082,1391 8.009,1392 4.169,1393 4.482,1394 0.093,1395 0.056,1396 5.572,1397 2.678,1398 0.299,1399 101.194,1400 0.223,1401 30.25,1402 0.419,1403 140,1404 426.883,1405 194.951,1406 440.376,1407 576.98,1408 414,1409 151,1410 373.122,1411 199.47,1412 395.244,1413 562.44,1414 362,1415 4.319}
{0 CHEMBL132260,1 1.494,2 5.667,3 2.323,4 5.398,5 59.367,6 7.417,7 0.647,8 3.425,9 3.541,10 3.006,11 2.999,12 4.506,13 2.982,14 3.949,15 4.1,16 3.367,17 3.396,18 4.976,19 3.356,20 4.179,21 4.381,22 3.434,23 3.487,24 5.16,25 3.43,26 4.137,27 4.354,28 3.242,29 3.339,30 5.226,31 3.268,32 3.998,33 4.237,34 2.84,35 3.145,36 4.937,37 3.025,38 3.754,39 4.025,40 2.279,41 2.853,42 4.511,43 2.652,44 3.427,45 3.761,46 1.498,47 2.39,48 3.951,49 2.093,50 2.742,51 3.128,52 0.454,53 1.555,54 3.091,55 1.186,56 0.022,57 0.394,58 5.557,59 2.435,60 5.431,61 3.133,62 0.108,63 0.629,64 10.31,65 4.307,66 10.388,67 5.631,68 0.088,69 0.782,70 13.897,71 5.228,72 12.751,73 7.165,74 0.223,75 0.757,76 13.754,77 4.379,78 27.43,79 6.106,80 0.164,81 0.616,82 12.396,83 4.067,84 21.049,85 5.611,86 0.099,87 0.447,88 9.98,89 3.754,90 14.25,91 5.273,92 0.065,93 0.298,94 7.718,95 2.937,96 9.06,97 4.342,98 0.032,99 0.137,100 4.07,101 1.451,102 4.742,103 2.263,104 2,105 24,106 0.292,107 0.688,108 0.8,109 0.858,110 0.873,111 0.873,112 2.799,113 0.911,114 -3.41,115 -3.39,116 -3.24,121 44.4,123 2,127 1,144 4,145 2,146 1,148 1,149 1,165 1,166 1,167 1,176 6,179 1,180 5,185 2,187 6,189 2,192 4,197 2,200 4,203 2,206 4,208 2,209 2,211 3,214 4,216 3,219 2,224 1,227 4,229 1,232 1,239 3,251 1,281 142,282 10.414,283 10.414,284 10.414,285 10.414,286 10.414,287 9.074,288 8.875,289 6.183,290 10.612,291 8.4,292 8.4,293 8.4,294 8.4,295 8.4,296 6.368,297 8.831,298 2.924,299 8.737,300 3.261,301 1.241,302 0.667,303 0.37,304 0.296,305 0.296,306 3.476,311 1,312 1,313 189,314 1.581,318 70.902,322 78.581,325 0.889,326 11.244,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 32,338 85,339 4.625,340 3.366,341 6.769,342 4.176,343 3.203,344 4.554,345 0.86,346 11.036,347 3.116,348 3.912,349 2.729,350 5.982,351 3.503,352 2.532,353 3.433,355 8.37,356 2.458,357 3.472,358 2.319,359 5.279,360 3.02,361 2.087,362 2.852,364 6.329,365 1.938,366 2.935,367 1.691,368 4.116,369 2.497,370 1.518,371 2.139,373 3.329,374 1.484,375 2.583,376 1.574,377 3.757,378 2.326,379 1.347,380 1.61,382 3.225,383 1.314,384 2.486,385 1.389,386 3.594,387 2.196,388 1.247,389 1.486,391 2.902,392 1.174,393 1.95,394 0.96,395 3.39,396 1.71,397 0.764,398 0.883,400 1.804,401 0.718,402 1.337,403 0.173,404 2.843,405 0.933,411 0.916,412 -0.217,413 2.404,414 0.507,415 -0.445,416 -0.568,418 -1.091,419 -0.419,420 0.57,421 -0.596,422 2,423 0.126,424 -0.84,425 -0.933,427 -1.977,428 -0.791,429 0.263,430 -0.804,431 2,432 0.085,433 -0.879,434 -1.209,436 -2.123,437 -0.86,438 0.116,439 -1.018,440 1.541,441 -0.25,442 -1.205,443 -1.584,445 -3.218,446 -1.143,447 -0.222,448 -1.375,449 1.455,450 -0.564,451 -1.528,452 -1.905,454 -4.317,455 -1.466,456 -0.5,457 -1.652,458 1.184,459 -0.841,460 -1.802,461 -2.198,463 -5.194,464 -1.677,465 -0.5,466 -1.739,467 1.048,468 -1,469 -2,470 -2.561,472 -5.661,473 -1.9,474 7.133,475 0.476,476 0.312,477 0.021,478 20.75,479 1.383,480 11,481 0.733,482 9.75,483 0.65,484 9.169,485 0.611,486 15.667,487 0.58,488 11.489,489 0.766,490 3.943,491 0.263,492 3.418,493 0.228,494 0.056,496 0.35,501 0.947,502 1.064,503 0.787,504 0.944,505 1.1,506 0.852,507 0.961,508 1.083,509 0.839,510 0.992,511 0.746,512 0.926,513 1.002,514 1.213,515 0.835,516 1.017,517 0.87,518 0.925,519 1.283,520 1.056,521 1.179,522 1.017,523 1.343,524 1.059,525 1.498,526 0.939,527 1.325,528 1.025,529 1.551,530 1.12,531 0.945,532 0.925,533 1.212,534 1.143,535 1.058,536 1.209,537 0.407,538 0.793,539 0.914,540 0.991,541 0.447,542 1.03,543 0.083,544 0.635,545 0.651,546 0.792,547 0.224,548 0.804,549 2,551 1.778,552 1.188,553 1.08,554 0.236,555 0.078,559 1569,560 3642,561 2.186,562 44.4,563 2,564 6,567 2,569 2,572 1.537,573 2.093,574 2.568,575 0.431,579 1,582 40.343,583 1.494,584 3.514,585 4.088,586 4.385,587 4.459,588 4.459,589 1.933,590 3.107,591 3.886,592 2.554,593 268.133,594 6.537,595 2131.14,597 1,600 128.382,601 1.231,602 3.859,603 0.118,605 0.074,606 0.047,607 0.057,608 0.02,609 0.013,613 0.329,614 1,615 1,616 0.521,617 56.365,618 -0.08,619 0.053,620 0.045,621 0.053,622 -0.153,623 0.071,624 0.08,625 -0.061,626 0.054,627 0.005,628 0.067,629 0.017,630 -0.02,631 -0.223,632 0.106,633 -0.052,634 0.045,635 0.025,636 -0.046,637 0.009,638 -0.203,639 -0.128,640 -0.004,641 -0.176,642 -0.297,643 0.048,644 -0.336,645 -0.107,646 -0.329,647 -0.2,648 -0.109,649 -0.065,650 -0.228,651 -0.16,652 -0.18,653 -0.202,654 0.103,655 -0.041,656 0.112,657 0.024,658 0.094,659 0.057,660 0.264,661 0.057,662 0.436,663 0.216,664 0.292,665 0.327,666 0.947,667 2.12,668 0.933,669 6.373,670 0.998,671 1.122,672 2.181,673 4.756,674 0.677,675 2.89,676 3.219,677 3.555,678 3.85,679 4.111,680 4.111,681 4.174,682 4.205,683 4.205,684 3.807,685 3.459,686 0.644,687 200.26,688 2.89,689 4.419,690 5.293,691 6.184,692 7.076,693 7.974,694 8.871,695 9.771,696 10.669,697 11.57,698 7.4,702 1,708 1,714 2,715 4,716 1,720 3,722 11,733 1,739 1,741 27,743 11,744 1,745 17,747 29,748 12,749 9,750 2,751 4,756 3,757 6,767 2,770 2,772 9,773 3,790 1,793 12,794 3,795 2,796 3,802 2,808 0.333,809 1,822 1,829 3,833 2,859 1,868 15,869 1,876 3,878 1,893 3.7,898 1,901 7.167,902 4.783,903 3.278,904 1.683,907 2.411,908 1.378,909 1.044,910 1.942,911 8.783,912 3.157,913 3.818,914 4.494,915 5.135,916 5.749,917 6.056,918 6.403,919 6.723,920 7.009,921 6.654,922 0.75,923 25,924 5.533,925 -0.001,926 2.384,927 0.026,929 7.589,931 10.763,933 9.093,936 2.089,937 31.333,938 0.006,941 117.711,942 63.04,943 49.683,945 11,948 63.04,949 128.711,950 49.683,952 9.661,953 70.802,954 16.786,955 21.659,956 4.815,957 117.711,959 117.711,960 112.723,961 11,964 94.169,965 34.542,968 11.806,969 84.132,970 16.786,972 117.711,973 60.683,974 63.04,977 117.711,978 25.135,979 37.905,981 60.683,982 117.711,983 60.683,984 63.04,986 0.58,987 0.358,988 0.208,989 0.115,990 14,991 5,994 2,995 1.286,996 2.744,997 106.595,998 0.286,999 14,1000 56.603,1005 8.834,1006 3.297,1007 1.321,1008 1.942,1009 60.683,1010 7.914,1011 4.474,1015 2.618,1017 32.897,1018 241.434,1019 22.5,1031 26.949,1032 30.282,1034 0.314,1035 0.739,1036 0.86,1037 0.922,1038 0.938,1039 0.938,1040 4.379,1042 5.273,1043 1.804,1044 3.892,1045 4.5,1046 0.908,1047 6.12,1048 3.819,1049 5.595,1050 -0.445,1051 6.849,1053 3.434,1054 4.407,1056 7.091,1057 3.336,1058 6.922,1059 -0.84,1060 8.534,1061 -1.091,1062 5.501,1063 6.825,1064 0.739,1065 10.251,1066 5.368,1067 8.294,1068 -0.879,1069 10.285,1070 -1.977,1071 5.916,1072 7.603,1074 12.062,1075 5.762,1076 9.703,1077 -1.205,1078 12.078,1079 -2.123,1080 7.434,1081 9.484,1082 0.593,1083 14.733,1084 7.251,1085 11.138,1086 -1.528,1087 13.897,1088 -3.218,1089 8.26,1090 10.659,1092 16.874,1093 8.054,1094 12.594,1095 -1.802,1096 15.736,1097 -4.317,1098 9.554,1099 12.324,1100 0.469,1101 19.377,1102 9.322,1103 3.203,1104 -2,1105 17.588,1106 -5.194,1107 10.567,1108 13.684,1110 21.66,1111 10.31,1112 2.532,1113 11.036,1114 19.45,1115 -5.661,1116 11.774,1117 15.259,1118 0.366,1119 24.1,1120 11.491,1121 2.087,1122 8.37,1123 21.32,1124 4.554,1125 12.87,1126 16.705,1128 26.445,1129 12.561,1130 1.518,1131 6.329,1132 23.196,1133 3.433,1134 14.045,1135 18.243,1136 0.283,1137 28.861,1138 13.71,1139 1.347,1140 3.329,1141 25.077,1142 2.852,1143 15.178,1144 19.727,1146 31.236,1147 14.815,1148 1.247,1149 3.225,1150 26.963,1151 2.139,1152 16.343,1153 21.251,1154 0.217,1155 33.642,1156 15.953,1157 0.764,1158 2.902,1159 28.852,1160 1.61,1161 17.491,1162 22.752,1164 36.03,1165 17.075,1166 1532,1167 2409,1168 11.731,1169 18.273,1170 25.424,1171 25.766,1172 26.284,1173 25.431,1174 25.399,1175 33.915,1176 1.72,1177 73.989,1178 24.405,1179 5.57,1180 5.366,1181 6.454,1182 5.263,1183 5.203,1184 7.554,1185 1.72,1186 18.567,1187 5.116,1188 3.991,1189 1.496,1190 1.516,1191 1.546,1192 1.496,1193 1.494,1194 1.995,1195 0.101,1196 4.352,1197 1.436,1198 4.092,1199 4.118,1200 4.058,1201 4.014,1202 5.164,1203 4.021,1204 3.694,1205 3.735,1206 3.589,1207 3.579,1208 4.824,1209 3.575,1210 3.29,1211 3.361,1212 3.156,1213 3.146,1214 4.584,1215 3.139,1216 3.08,1217 3.148,1218 2.994,1219 2.881,1220 4.056,1221 2.898,1222 2.831,1223 2.921,1224 2.625,1225 2.615,1226 3.759,1227 2.603,1228 2.712,1229 2.826,1230 2.505,1231 2.459,1232 3.614,1233 2.472,1234 2.581,1235 2.624,1236 2.447,1237 2.344,1238 3.241,1239 2.355,1240 2.031,1241 2.185,1242 1.75,1243 1.693,1244 2.996,1245 1.678,1246 0.272,1247 0.198,1248 0.398,1249 0.246,1250 0.188,1251 4.625,1252 0.268,1253 3.366,1254 0.051,1255 6.769,1256 0.649,1257 4.176,1258 0.183,1259 3.203,1260 4.554,1261 0.86,1262 11.036,1263 3.116,1264 2.048,1265 2.025,1266 2.122,1267 2.146,1268 1.324,1269 2.139,1270 1.688,1271 1.647,1272 1.893,1273 1.84,1274 1.114,1275 1.858,1276 1.278,1277 1.219,1278 1.49,1279 1.483,1280 0.637,1281 1.492,1282 1.008,1283 0.951,1284 1.216,1285 1.262,1286 0.362,1287 1.245,1288 0.825,1289 0.743,1290 1.201,1291 1.126,1292 0.226,1293 1.159,1294 0.663,1295 0.554,1296 1.041,1297 0.991,1299 1.024,1300 0.556,1301 0.491,1302 0.826,1303 0.754,1305 0.776,1306 0.058,1308 0.599,1309 0.441,1311 0.508,1312 3.555,1314 4.875,1316 6.435,1318 8.104,1320 9.827,1326 6.12,1328 2.744,1330 5.521,1340 17.392,1341 40.343,1342 94.872,1343 110.382,1344 118.382,1345 120.382,1346 120.382,1347 15.488,1348 6.372,1349 48.14,1350 48.14,1351 18,1352 12.092,1353 3.585,1354 2.7,1355 19.787,1356 34,1357 20,1358 0.336,1359 106.646,1360 174.87,1361 251.977,1362 4073,1364 10.251,1365 0.683,1366 0.558,1367 10.251,1368 8.364,1369 7.36,1370 0.433,1371 0.304,1372 5.101,1373 7.137,1374 5.012,1375 4.124,1376 7.36,1377 5.16,1378 6.512,1379 0.271,1380 0.157,1381 6.512,1382 3.778,1383 5.892,1384 0.173,1385 0.083,1386 5.892,1387 2.809,1388 5.149,1389 0.112,1390 0.044,1391 5.149,1392 2.032,1393 4.302,1394 0.072,1395 0.024,1396 4.302,1397 1.445,1398 0.482,1399 45.766,1400 0.292,1401 14.609,1402 1.061,1403 82,1404 214.693,1405 88.734,1406 209.187,1407 296.73,1408 198,1409 99,1410 228.117,1411 106.152,1412 230.747,1413 343.38,1414 219,1415 6.575}
{0 CHEMBL132285,1 1.455,2 10.241,3 4.001,4 16.005,5 116.717,6 6.688,7 0.375,8 4.161,9 4.296,10 3.647,11 3.651,12 5.162,13 3.62,14 4.746,15 4.957,16 4.052,17 4.088,18 5.697,19 4.041,20 4.978,21 5.163,22 4.142,23 4.313,24 5.885,25 4.224,26 5.238,27 5.509,28 4.11,29 4.354,30 6.071,31 4.231,32 5.122,33 5.351,34 4.053,35 4.266,36 6.082,37 4.151,38 5.144,39 5.412,40 3.954,41 4.149,42 6.033,43 4.036,44 4.92,45 5.151,46 3.971,47 4.088,48 5.889,49 4.009,50 4.999,51 5.22,52 3.871,53 4.146,54 6.017,55 4.034,56 0.043,57 0.877,58 13.902,59 5.297,60 10.51,61 7.683,62 0.479,63 1.434,64 26.521,65 8.513,66 36.492,67 12.893,68 0.18,69 1.783,70 32.479,71 12.223,72 27.631,73 17.67,74 0.474,75 2.009,76 44.107,77 14.388,78 49.525,79 21.776,80 0.376,81 1.787,82 38.912,83 13.643,84 51.867,85 19.561,86 0.681,87 1.654,88 41.396,89 12.829,90 67.159,91 18.612,92 0.452,93 1.53,94 32.182,95 9.997,96 40.98,97 14.857,98 0.564,99 1.638,100 35.06,101 10.623,102 68.424,103 15.749,104 39,105 48,106 0.238,107 0.543,108 0.727,109 0.805,110 0.836,111 0.836,112 3.409,113 0.945,114 -4.19,115 -4.14,116 -3.91,121 39,122 1,123 1,125 1,126 4,127 2,130 1,144 7,145 2,146 3,161 1,176 9,179 2,180 8,183 2,185 2,187 10,192 9,197 2,200 7,205 1,206 10,211 3,214 3,218 2,219 10,224 2,227 2,231 2,232 4,235 1,237 1,239 4,243 2,244 4,247 1,249 2,251 8,255 1,256 2,259 1,264 8,269 4,277 8,281 1372,282 19.048,283 19.048,284 19.048,285 19.048,286 19.048,287 17.481,288 30.376,289 10.969,290 19.511,291 15.788,292 15.788,293 15.788,294 15.788,295 15.788,296 13.337,297 46.375,298 5.226,299 16.517,300 4.428,301 2.566,302 1.44,303 0.963,304 0.776,305 0.776,306 4.097,311 1,312 1,313 643,314 4,317 116.481,318 154.323,320 93.787,321 98.076,324 138.28,325 1.405,326 20.181,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 62,338 297,339 4.843,340 3.976,341 8.006,342 4.718,343 3.74,344 4.274,345 2.186,346 15.311,347 3.66,348 4.209,349 3.685,350 6.357,351 3.883,352 2.921,353 3.582,354 0.966,355 9.666,356 2.811,357 3.95,358 3.106,359 6.178,360 3.572,361 2.608,362 3.466,363 0.916,364 8.508,365 2.507,366 3.629,367 2.766,368 5.973,369 3.377,370 2.434,371 2.856,372 0.693,373 8.088,374 2.29,375 3.47,376 2.654,377 5.477,378 3.302,379 2.363,380 2.648,381 0.366,382 7.35,383 2.213,384 3.45,385 2.552,386 4.943,387 3.121,388 2.184,389 2.55,390 0.172,391 5.805,392 2.037,393 3.117,394 2.442,395 4.795,396 2.894,397 1.943,398 2.157,400 4.997,401 1.827,402 2.854,403 1.756,404 4.598,405 2.467,406 1.512,407 1.985,409 4.448,410 1.442,411 2.733,412 1.703,413 4.336,414 2.418,415 1.444,416 1.78,418 3.879,419 1.401,420 2.583,421 1.519,422 3.97,423 2.305,424 1.323,425 1.587,427 2.995,428 1.291,429 2.5,430 1.032,431 3.577,432 2,433 1,434 1.5,436 2.136,437 1,438 1.838,439 1,440 3.417,441 1.753,442 0.79,443 0.813,445 2.106,446 0.758,447 1.459,448 0.742,449 3.247,450 1.229,451 0.284,452 0.321,454 0.777,455 0.266,456 1.179,457 0.484,458 3.011,459 0.837,460 -0.115,461 -0.134,463 -0.304,464 -0.109,465 0.98,466 0.215,467 2.68,468 0.699,469 -0.261,470 -0.279,472 -0.66,473 -0.248,474 13.767,475 0.475,476 0.966,477 0.033,478 34.5,479 1.19,480 15,481 0.517,482 19.5,483 0.672,484 28.719,485 0.99,486 32.433,487 0.55,488 27.6,489 0.952,490 6.782,491 0.234,492 7.01,493 0.242,494 0.206,495 0.036,496 0.341,501 0.844,502 1.583,503 0.879,504 1.257,505 0.655,506 1.095,507 0.891,508 0.797,509 0.839,510 0.694,511 0.43,512 0.727,513 0.959,514 1.449,515 1.115,516 1.356,517 0.755,518 1.272,519 1.007,520 0.914,521 0.929,522 0.91,523 0.663,524 0.9,525 1.195,526 1.215,527 1.099,528 1.276,529 1.302,530 1.198,531 1.674,532 0.822,533 0.953,534 0.786,535 1.586,536 0.801,537 1.421,538 1.008,539 1.048,540 0.953,541 1.304,542 0.951,543 1.833,544 1.099,545 1.428,546 1.097,547 2.622,548 1.198,549 7.5,550 0.171,551 4,552 3.646,553 1.966,554 1.209,555 1.095,556 0.582,557 0.447,558 0.288,559 9883,560 21047,561 2.041,562 50.8,563 3,564 23,565 1,567 1,569 2,572 1.725,573 1.861,574 3.275,575 -0.371,577 1,582 85.827,583 1.455,584 3.316,585 4.443,586 4.92,587 5.107,588 5.107,589 2.652,590 4.582,591 4.827,592 3.46,593 1404.77,594 8.442,595 18521.4,597 1,599 1,600 347.076,601 1.694,602 4.757,603 0.234,604 0.008,605 0.083,606 0.073,607 0.042,608 0.029,609 0.028,610 0.014,611 0.013,612 0.01,613 0.534,614 0.5,615 1,616 0.973,617 144.94,618 0.007,619 -0.309,620 0.08,621 -0.123,622 -0.046,623 -0.03,624 0.194,625 0.385,626 0.167,627 0.303,628 0.23,629 0.251,630 -0.066,631 -0.312,632 -0.156,633 -0.27,634 -0.039,635 -0.233,636 -0.013,637 0.07,638 0.061,639 0.054,640 0.096,641 0.071,642 0.019,643 -0.219,644 -0.101,645 -0.261,646 -0.016,647 -0.205,648 -0.044,649 0.06,650 0.099,651 0.151,652 -0.087,653 0.136,654 -0.045,655 0.048,656 -0.018,657 0.01,658 0.041,660 -0.295,661 -0.033,662 -0.387,663 -0.138,664 -0.353,665 -0.259,666 2.132,667 5.578,668 0.621,669 26.252,670 0.992,671 1.132,672 2.963,673 8.781,674 0.641,675 3.497,676 3.892,677 4.205,678 4.564,679 4.796,680 4.927,681 5.17,682 5.293,683 5.338,684 5.357,685 6.147,686 0.599,687 394.57,688 3.497,689 5.081,690 5.964,691 6.895,692 7.807,693 8.749,694 9.679,695 10.629,696 11.571,697 12.526,698 6.8,701 2,704 1,705 1,715 7,720 5,722 12,736 1,737 1,741 59,743 13,744 2,745 32,747 62,748 23,749 12,750 5,751 7,756 4,757 7,763 1,764 1,766 1,767 1,770 1,772 13,773 10,777 1,782 1,786 1,790 1,793 30,794 6,795 1,796 6,802 4,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 2,859 2,864 5,868 29,876 3,877 1,878 1,880 1,881 3,882 1,893 3.4,896 1,898 1,901 15.583,902 12.1,903 6.181,904 3.399,907 2.11,908 1.27,909 0.955,910 5.319,911 9.929,912 3.689,913 4.263,914 4.779,915 5.354,916 5.865,917 6.095,918 6.479,919 6.76,920 6.89,921 7.046,922 0.857,923 50,924 10.76,926 4.566,927 0.026,929 7.572,931 21.009,933 17.643,936 2.072,937 60.083,939 1,940 1,941 341.362,942 139.381,943 27.384,945 36.145,948 139.381,949 377.507,950 27.384,951 42.411,952 24.757,953 66.334,954 25.145,955 37.501,956 18.534,957 329.591,959 341.362,960 166.765,961 36.145,964 317.82,965 59.687,968 39.831,969 126.934,972 341.362,973 63.529,974 139.381,977 341.362,978 30.637,979 118.117,980 18.011,981 36.145,982 341.362,983 63.529,984 139.381,986 0.596,987 0.346,988 0.199,989 0.11,990 25,991 12,992 0.081,993 5,994 2,995 1.222,996 3.878,997 269.851,998 0.222,999 18,1000 134.881,1005 20.205,1006 7.635,1007 3.63,1009 63.529,1010 13.662,1015 4.86,1017 18.011,1018 544.271,1019 39,1024 12.578,1028 -0.465,1031 58.549,1032 66.81,1034 0.247,1035 0.564,1036 0.755,1037 0.836,1038 0.868,1039 0.868,1040 4.99,1041 1.512,1042 6.014,1043 4.997,1044 4.575,1045 4.949,1046 2.586,1047 6.95,1048 4.491,1049 6.21,1050 1.444,1051 7.656,1052 4.448,1053 4.443,1054 4.856,1055 1.961,1056 8.296,1057 4.328,1058 7.545,1059 1.323,1060 9.416,1061 3.879,1062 6.315,1063 7.063,1064 3.559,1065 11.468,1066 6.168,1067 8.916,1068 1,1069 11.253,1070 2.995,1071 7.004,1072 7.731,1073 3.625,1074 13.731,1075 6.842,1076 10.324,1077 0.79,1078 13.144,1079 2.136,1080 8.447,1081 9.503,1082 4.918,1083 16.554,1084 8.262,1085 11.76,1086 0.284,1087 15.077,1088 2.106,1089 9.502,1090 10.533,1091 5.295,1092 19.141,1093 9.308,1094 13.221,1095 -0.115,1096 17.042,1097 0.777,1098 10.825,1099 12.126,1100 6.389,1101 21.888,1102 10.612,1103 3.74,1104 -0.261,1105 19.033,1106 -0.304,1107 12.034,1108 13.345,1109 6.931,1110 24.574,1111 11.809,1112 2.921,1113 15.311,1114 21.043,1115 -0.66,1116 13.333,1117 14.856,1118 7.902,1119 27.306,1120 13.091,1121 2.608,1122 9.666,1123 23.069,1124 4.274,1125 14.604,1126 16.176,1127 8.539,1128 30.021,1129 14.347,1130 2.434,1131 8.508,1132 25.107,1133 3.582,1134 15.906,1135 17.649,1136 9.436,1137 32.75,1138 15.63,1139 2.363,1140 8.088,1141 27.155,1142 3.466,1143 17.203,1144 19.025,1145 10.13,1146 35.474,1147 16.909,1148 2.184,1149 7.35,1150 29.21,1151 2.856,1152 18.511,1153 20.481,1154 10.981,1155 38.203,1156 18.197,1157 1.943,1158 5.805,1159 31.27,1160 2.648,1161 19.818,1162 21.889,1163 11.71,1164 40.93,1165 19.486,1166 9525,1167 14051,1168 20.69,1169 37.83,1170 49.583,1171 50.187,1172 51.771,1173 49.135,1174 49.096,1175 59.038,1176 10.6,1177 152.133,1178 47.008,1179 5.808,1180 5.976,1181 7.808,1182 5.808,1183 5.74,1184 7.274,1185 3.889,1186 23.827,1187 5.66,1188 16.731,1189 1.549,1190 1.568,1191 1.618,1192 1.535,1193 1.534,1194 1.845,1195 0.331,1196 4.754,1197 1.469,1198 4.104,1199 4.141,1200 4.054,1201 4.01,1202 7.435,1203 4.017,1204 3.899,1205 3.934,1206 3.832,1207 3.821,1208 4.833,1209 3.818,1210 3.758,1211 3.813,1212 3.67,1213 3.617,1214 4.753,1215 3.622,1216 3.531,1217 3.614,1218 3.392,1219 3.297,1220 4.446,1221 3.303,1222 3.397,1223 3.436,1224 3.328,1225 3.111,1226 4.284,1227 3.157,1228 3.272,1229 3.362,1230 3.099,1231 3.044,1232 4.13,1233 3.042,1234 3.224,1235 3.309,1236 3.032,1237 2.998,1238 3.929,1239 3.004,1240 2.978,1241 3.094,1242 2.727,1243 2.771,1244 3.877,1245 2.742,1246 0.151,1247 0.124,1248 0.25,1249 0.147,1250 0.117,1251 4.843,1252 0.134,1253 3.976,1254 0.068,1255 8.006,1256 0.478,1257 4.718,1258 0.114,1259 3.74,1260 4.274,1261 2.186,1262 15.311,1263 3.66,1264 1.931,1265 1.912,1266 2.027,1267 2.033,1268 1.324,1269 2.03,1270 1.883,1271 1.852,1272 2.007,1273 1.98,1274 1.147,1275 1.99,1276 1.655,1277 1.6,1278 1.87,1279 1.836,1280 1.06,1281 1.845,1282 1.556,1283 1.471,1284 1.8,1285 1.815,1286 1.041,1287 1.824,1288 1.478,1289 1.391,1290 1.75,1291 1.721,1292 0.879,1293 1.736,1294 1.253,1295 1.203,1296 1.578,1297 1.562,1298 0.658,1299 1.543,1300 1.156,1301 1.085,1302 1.453,1303 1.442,1304 0.565,1305 1.436,1306 1.016,1307 0.904,1308 1.417,1309 1.291,1310 0.469,1311 1.354,1312 4.174,1314 5.549,1315 3.045,1316 7.114,1317 5.638,1318 8.778,1319 7.921,1320 10.505,1322 10.717,1328 2.857,1329 2.817,1330 5.822,1332 0.332,1333 6.872,1334 0.031,1340 35.364,1341 85.827,1342 195.665,1343 262.14,1344 290.282,1345 301.302,1346 301.302,1347 46.928,1348 7.819,1349 48.05,1350 48.05,1351 22,1352 13.015,1353 3.807,1354 3,1355 44.479,1356 104,1357 121,1358 0.207,1359 216.499,1360 378.32,1361 520.017,1362 25301,1364 20.759,1365 0.716,1366 0.617,1367 20.759,1368 17.898,1369 13.792,1370 0.431,1371 0.315,1372 9.921,1373 13.223,1374 9.458,1375 7.946,1376 13.792,1377 10.085,1378 13.379,1379 0.279,1380 0.182,1381 13.379,1382 8.728,1383 10.857,1384 0.164,1385 0.094,1386 10.857,1387 6.222,1388 9.879,1389 0.104,1390 0.052,1391 9.879,1392 4.96,1393 7.857,1394 0.065,1395 0.028,1396 7.857,1397 3.349,1398 0.317,1399 86.614,1400 0.22,1401 27.064,1402 0.592,1403 160,1404 400.739,1405 174.774,1406 388.767,1407 538.83,1408 364,1409 194,1410 405.501,1411 209.973,1412 417.461,1413 613.92,1414 386,1415 5.602}
{0 CHEMBL132365,1 1.429,2 6.118,3 2.774,4 7.693,5 68.201,6 6.919,7 0.579,8 3.597,9 3.721,10 3.115,11 3.161,12 4.633,13 3.126,14 4.144,15 4.32,16 3.468,17 3.569,18 5.074,19 3.509,20 4.377,21 4.587,22 3.6,23 3.706,24 5.304,25 3.635,26 4.404,27 4.616,28 3.529,29 3.66,30 5.443,31 3.572,32 4.39,33 4.633,34 3.216,35 3.562,36 5.302,37 3.425,38 4.277,39 4.558,40 2.762,41 3.339,42 5.043,43 3.136,44 4.012,45 4.328,46 2.202,47 2.944,48 4.601,49 2.684,50 3.519,51 3.862,52 1.304,53 2.375,54 4.007,55 2.041,56 0.034,57 0.473,58 7.409,59 3.14,60 6.847,61 4.252,62 0.096,63 0.765,64 13.615,65 5.481,66 10.83,67 7.507,68 0.112,69 0.963,70 17.546,71 6.521,72 13.944,73 9.346,74 0.27,75 0.982,76 18.38,77 6.303,78 29.588,79 9.139,80 0.197,81 0.921,82 18.489,83 6.229,84 26.044,85 9.073,86 0.172,87 0.762,88 16.851,89 5.922,90 22.361,91 8.641,92 0.137,93 0.518,94 13.308,95 4.937,96 14.242,97 7.056,98 0.08,99 0.305,100 8.133,101 3.003,102 8.724,103 4.41,104 6,105 27,106 0.268,107 0.641,108 0.777,109 0.838,110 0.861,111 0.861,112 2.912,113 0.955,114 -3.13,115 -3.13,116 -3.01,121 42.4,123 4,126 1,144 3,145 2,146 2,148 2,165 1,166 1,167 1,176 6,180 6,185 2,187 8,189 2,192 4,197 1,200 4,203 1,205 1,206 4,208 2,209 2,211 4,214 5,216 4,219 1,224 2,227 6,229 2,232 2,239 5,244 1,251 2,281 240,282 11.784,283 11.784,284 11.784,285 11.784,286 11.784,287 10.452,288 11.352,289 6.878,290 12.021,291 9.31,292 9.31,293 9.31,294 9.31,295 9.31,296 7.19,297 9.743,298 3.139,299 9.613,300 3.615,301 1.623,302 0.894,303 0.568,304 0.447,305 0.447,306 3.59,311 1,312 1,313 226,314 2,318 84.768,322 93.582,325 0.962,326 11.807,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 36,338 104,339 4.694,340 3.404,341 6.924,342 4.247,343 3.27,344 4.645,345 0.86,346 11.607,347 3.196,348 4.021,349 2.935,350 6.181,351 3.655,352 2.677,353 3.538,355 9.019,356 2.617,357 3.538,358 2.268,359 5.312,360 3.077,361 2.122,362 2.967,364 6.49,365 2.024,366 3.209,367 2.227,368 5.031,369 2.857,370 1.906,371 2.439,373 5.506,374 1.804,375 2.761,376 1.559,377 4.058,378 2.411,379 1.426,380 1.862,382 3.316,383 1.403,384 2.489,385 1.364,386 3.669,387 2.327,388 1.329,389 1.488,391 2.995,392 1.326,393 2.066,394 1.245,395 3.48,396 1.911,397 0.945,398 1.03,400 2.185,401 0.908,402 1.591,403 0.897,404 3.039,405 1.317,406 0.441,407 0.491,409 0.696,410 0.383,411 1.334,412 0.129,413 2.763,414 0.95,420 0.921,421 -0.215,422 2.401,423 0.55,424 -0.424,425 -0.534,427 -1.053,428 -0.409,429 0.663,430 -0.445,431 2.218,432 0.281,433 -0.66,434 -0.813,436 -1.378,437 -0.613,438 0.266,439 -0.638,440 2,441 0.129,442 -0.857,443 -0.947,445 -2.05,446 -0.844,447 0.13,448 -1.031,449 1.726,450 -0.191,451 -1.169,452 -1.493,454 -3.141,455 -1.139,456 -0.208,457 -1.264,458 1.498,459 -0.555,460 -1.527,461 -1.863,463 -4.232,464 -1.459,465 -0.461,466 -1.395,467 1.305,468 -0.724,469 -1.63,470 -2.013,472 -4.546,473 -1.49,474 8.133,475 0.478,476 0.363,477 0.021,478 21.75,479 1.279,480 11,481 0.647,482 10.75,483 0.632,484 12.58,485 0.74,486 18.267,487 0.554,488 12.81,489 0.754,490 4.026,491 0.237,492 4.283,493 0.252,494 0.111,496 0.369,501 0.944,502 1.124,503 0.859,504 1.022,505 1.06,506 0.938,507 1.099,508 1.078,509 0.849,510 0.945,511 0.78,512 0.89,513 0.914,514 1.168,515 0.837,516 0.99,517 0.84,518 0.915,519 0.982,520 1.154,521 1.077,522 1.107,523 1.063,524 1.097,525 1.344,526 1.075,527 1.278,528 1.101,529 1.563,530 1.159,531 1.104,532 0.932,533 1.238,534 1.097,535 1.385,536 1.162,537 1.051,538 0.807,539 1.001,540 0.955,541 0.736,542 0.989,543 0.765,544 0.808,545 0.987,546 0.965,547 0.59,548 1.013,549 2.5,551 2,552 1.625,553 1.431,554 0.5,555 0.14,556 0.043,557 0.02,559 2099,560 4496,561 2.127,562 48.5,563 6,564 6,567 2,568 2,572 1.578,573 2,574 2.655,575 0.353,577 1,578 1,579 1,582 47.162,583 1.429,584 3.421,585 4.15,586 4.476,587 4.597,588 4.597,589 2.133,590 3.852,591 4.063,592 2.687,593 365.497,594 6.909,595 3177.95,596 1,597 1,599 1,600 166.465,601 1.379,602 4.023,603 0.132,605 0.074,606 0.054,607 0.055,608 0.028,609 0.014,610 0.009,611 0.02,613 0.386,614 1,615 1,616 0.844,617 67.566,618 -0.052,619 0.041,620 0.05,621 0.041,622 -0.075,623 0.06,624 -0.062,625 -0.03,626 0.095,627 0.091,628 0.039,629 0.104,630 0.005,631 -0.122,632 0.116,633 -0.001,634 0.066,635 0.059,636 0.174,637 -0.078,638 -0.1,639 -0.163,640 0.189,641 -0.165,642 -0.232,643 -0.055,644 -0.3,645 -0.167,646 -0.288,647 -0.225,648 -0.162,649 -0.004,650 -0.264,651 -0.156,652 -0.32,653 -0.206,654 -0.048,655 -0.03,656 -0.007,657 0.009,658 -0.034,659 0.001,660 -0.003,661 -0.062,662 -0.004,663 -0.012,664 0.028,665 -0.014,666 0.846,667 2.296,668 0.824,669 8.346,670 0.991,671 1.125,672 1.904,673 3.626,674 0.66,675 2.996,676 3.332,677 3.689,678 4.007,679 4.263,680 4.304,681 4.394,682 4.443,683 4.466,684 4.19,685 3.769,686 0.62,687 228.32,688 2.996,689 4.533,690 5.416,691 6.319,692 7.22,693 8.131,694 9.038,695 9.951,696 10.859,697 11.773,698 6.1,702 1,708 1,714 2,715 3,716 1,720 4,722 11,733 1,739 1,741 33,743 11,744 1,745 19,747 35,748 14,749 9,750 3,751 3,756 3,757 6,767 4,770 4,772 9,773 5,790 1,793 16,794 3,795 2,796 3,802 2,808 0.333,809 1,822 1,829 3,833 2,859 1,864 1,868 17,869 1,876 4,878 1,893 3,898 1,901 8.5,902 6.2,903 3.806,904 2.093,907 2.424,908 1.366,909 1.018,910 2.578,911 9.05,912 3.239,913 3.902,914 4.598,915 5.259,916 5.867,917 6.218,918 6.582,919 6.912,920 7.213,921 7.047,922 1,923 30,924 6.286,926 2.673,927 0.026,929 7.529,931 12.354,933 10.434,936 2.029,937 34.5,938 0.004,941 164.795,942 68.11,943 49.683,945 11,948 68.11,949 175.795,950 49.683,951 10.883,952 10.138,953 61.326,954 16.786,955 29.659,957 164.795,959 164.795,960 117.792,961 11,964 164.795,965 11,968 15.039,969 85.968,970 16.786,972 164.795,973 60.683,974 68.11,977 164.795,978 28.798,979 39.312,981 60.683,982 164.795,983 60.683,984 68.11,986 0.577,987 0.368,988 0.218,989 0.119,990 15,991 6,992 0.029,993 1,994 2,995 1.286,996 2.867,997 127.817,998 0.286,999 14,1000 69.487,1005 10.696,1006 4.097,1007 1.628,1008 1.915,1009 60.683,1010 5.904,1011 4.725,1015 4.089,1017 32.897,1018 293.588,1019 24.5,1031 32.716,1032 37.112,1034 0.283,1035 0.678,1036 0.823,1037 0.887,1038 0.911,1039 0.911,1040 4.474,1041 0.441,1042 5.407,1043 2.185,1044 4.007,1045 4.585,1046 0.908,1047 6.282,1048 3.949,1049 5.698,1051 7.002,1052 0.696,1053 3.611,1054 4.559,1056 7.322,1057 3.526,1058 7.036,1059 -0.424,1060 8.705,1062 5.645,1063 6.927,1064 0.739,1065 10.487,1066 5.541,1067 8.419,1068 -0.66,1069 10.471,1070 -1.053,1071 6.111,1072 7.761,1074 12.364,1075 5.979,1076 9.839,1077 -0.857,1078 12.278,1079 -1.378,1080 7.606,1081 9.613,1082 0.593,1083 15.053,1084 7.462,1085 11.285,1086 -1.169,1087 14.113,1088 -2.05,1089 8.471,1090 10.832,1092 17.262,1093 8.299,1094 12.751,1095 -1.527,1096 15.967,1097 -3.141,1098 9.758,1099 12.487,1100 0.469,1101 19.793,1102 9.572,1103 3.27,1104 -1.63,1105 17.836,1106 -4.232,1107 10.801,1108 13.882,1110 22.139,1111 10.589,1112 2.677,1113 11.607,1114 19.716,1115 -4.546,1116 12.012,1117 15.461,1118 0.366,1119 24.615,1120 11.783,1121 2.122,1122 9.019,1123 21.604,1124 4.645,1125 13.132,1126 16.934,1128 27.018,1129 12.878,1130 1.906,1131 6.49,1132 23.499,1133 3.538,1134 14.318,1135 18.484,1136 0.283,1137 29.475,1138 14.044,1139 1.426,1140 5.506,1141 25.401,1142 2.967,1143 15.471,1144 19.991,1146 31.903,1147 15.173,1148 1.329,1149 3.316,1150 27.306,1151 2.439,1152 16.65,1153 21.531,1154 0.217,1155 34.354,1156 16.331,1157 0.945,1158 2.995,1159 29.216,1160 1.862,1161 17.818,1162 23.053,1164 36.794,1165 17.476,1166 2083,1167 3128,1168 12.83,1169 21.796,1170 28.192,1171 28.869,1172 29.915,1173 28.195,1174 28.23,1175 36.919,1176 1.72,1177 83.628,1178 27.322,1179 5.638,1180 5.404,1181 6.606,1182 5.289,1183 5.27,1184 7.645,1185 1.72,1186 19.167,1187 5.196,1188 6.478,1189 1.484,1190 1.519,1191 1.574,1192 1.484,1193 1.486,1194 1.943,1195 0.091,1196 4.401,1197 1.438,1198 4.11,1199 4.136,1200 4.077,1201 4.034,1202 5.153,1203 4.042,1204 3.741,1205 3.784,1206 3.633,1207 3.651,1208 4.823,1209 3.64,1210 3.313,1211 3.382,1212 3.178,1213 3.169,1214 4.578,1215 3.162,1216 3.269,1217 3.333,1218 3.133,1219 3.022,1220 4.266,1221 3.037,1222 3.103,1223 3.19,1224 2.915,1225 2.904,1226 3.944,1227 2.891,1228 2.879,1229 2.99,1230 2.658,1231 2.671,1232 3.557,1233 2.655,1234 2.679,1235 2.773,1236 2.511,1237 2.547,1238 3.389,1239 2.531,1240 2.614,1241 2.691,1242 2.414,1243 2.324,1244 3.232,1245 2.338,1246 0.247,1247 0.179,1248 0.364,1249 0.224,1250 0.172,1251 4.694,1252 0.244,1253 3.404,1254 0.045,1255 6.924,1256 0.611,1257 4.247,1258 0.168,1259 3.27,1260 4.645,1261 0.86,1262 11.607,1263 3.196,1264 2.065,1265 2.043,1266 2.146,1267 2.159,1268 1.428,1269 2.156,1270 1.752,1271 1.71,1272 1.937,1273 1.879,1274 1.141,1275 1.901,1276 1.294,1277 1.237,1278 1.575,1279 1.535,1280 0.754,1281 1.545,1282 1.213,1283 1.147,1284 1.506,1285 1.485,1286 0.61,1287 1.498,1288 1.112,1289 1.028,1290 1.433,1291 1.335,1292 0.569,1293 1.373,1294 0.86,1295 0.776,1296 1.154,1297 1.16,1298 0.21,1299 1.172,1300 0.692,1301 0.623,1302 1.021,1303 0.927,1304 0.128,1305 0.963,1306 0.589,1307 0.472,1308 0.912,1309 0.833,1311 0.87,1312 3.664,1314 4.99,1316 6.558,1318 8.239,1320 9.978,1322 1.674,1326 6.296,1328 4.517,1330 5.379,1340 20.445,1341 47.162,1342 112.901,1343 136.955,1344 147.71,1345 151.71,1346 151.71,1347 19.966,1348 6.625,1349 48.14,1350 48.14,1351 18,1352 12.287,1353 3.585,1354 2.7,1355 23.485,1356 40,1357 35,1358 0.323,1359 125.831,1360 209.47,1361 298.787,1362 5535,1364 11.828,1365 0.696,1366 0.588,1367 11.828,1368 9.993,1369 8.309,1370 0.437,1371 0.318,1372 5.983,1373 8.061,1374 5.821,1375 4.831,1376 8.309,1377 6.049,1378 7.24,1379 0.268,1380 0.167,1381 7.24,1382 4.512,1383 6.619,1384 0.17,1385 0.09,1386 6.619,1387 3.513,1388 5.917,1389 0.11,1390 0.049,1391 5.917,1392 2.653,1393 4.896,1394 0.07,1395 0.028,1396 4.896,1397 1.954,1398 0.466,1399 51.665,1400 0.279,1401 16.417,1402 1.016,1403 92,1404 226.693,1405 97.959,1406 221.766,1407 314.58,1408 210,1409 112,1410 240.207,1411 118.487,1412 246.02,1413 364.04,1414 232,1415 6.211}
{0 CHEMBL132531,1 1.455,2 10.192,3 4.413,4 19.476,5 103.215,6 6.892,7 0.414,8 4.025,9 4.151,10 3.539,11 3.548,12 5.046,13 3.518,14 4.601,15 4.794,16 3.963,17 3.987,18 5.592,19 3.942,20 4.849,21 5.032,22 4.05,23 4.191,24 5.782,25 4.113,26 5.069,27 5.321,28 3.963,29 4.216,30 5.946,31 4.099,32 4.99,33 5.231,34 3.833,35 4.098,36 5.95,37 3.968,38 4.926,39 5.207,40 3.637,41 3.91,42 5.813,43 3.776,44 4.614,45 4.854,46 3.568,47 3.767,48 5.563,49 3.66,50 4.582,51 4.818,52 3.442,53 3.723,54 5.599,55 3.601,56 0.032,57 0.747,58 11.558,59 4.727,60 8.704,61 6.551,62 0.396,63 1.247,64 22.182,65 7.844,66 32.821,67 11.306,68 0.165,69 1.562,70 27.967,71 10.631,72 25.893,73 14.994,74 0.37,75 1.765,76 36.989,77 12.369,78 43.373,79 18.099,80 0.334,81 1.553,82 34.143,83 12.141,84 50.155,85 17.176,86 0.501,87 1.33,88 33.636,89 10.947,90 60.664,91 15.51,92 0.321,93 1.08,94 23.558,95 8.233,96 32.501,97 11.574,98 0.366,99 1.053,100 22.911,101 7.679,102 44.952,103 10.841,104 26,105 44,106 0.245,107 0.577,108 0.773,109 0.845,110 0.854,111 0.854,112 3.305,113 0.933,114 -4.53,115 -4.46,116 -4.2,121 41.2,122 2,123 1,125 1,126 2,127 1,130 1,144 7,145 2,146 3,161 1,176 10,179 2,180 7,183 2,185 2,187 11,192 9,197 2,200 8,206 10,211 3,214 4,218 1,219 10,224 3,227 3,231 1,232 4,237 1,239 6,243 1,244 2,247 1,249 2,251 10,255 1,259 1,264 10,269 2,277 9,281 934,282 17.187,283 17.187,284 17.187,285 17.187,286 17.187,287 15.567,288 25.737,289 9.788,290 17.543,291 14.278,292 14.278,293 14.278,294 14.278,295 14.278,296 11.805,297 38.796,298 4.64,299 14.851,300 4.217,301 2.251,302 1.087,303 0.662,304 0.608,305 0.608,306 3.994,311 1,312 1,313 582,314 3.464,317 99.559,318 138.243,320 80.314,321 84.907,324 119.101,325 1.5,326 18.639,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 55.5,338 265,339 4.842,340 3.976,341 8.006,342 4.717,343 3.74,344 4.267,345 2.186,346 15.311,347 3.66,348 4.174,349 3.683,350 6.309,351 3.831,352 2.871,353 3.557,354 0.966,355 9.365,356 2.759,357 3.947,358 3.004,359 6.177,360 3.567,361 2.601,362 3.463,363 0.693,364 8.497,365 2.506,366 3.628,367 2.761,368 5.899,369 3.373,370 2.432,371 2.856,372 0.366,373 7.923,374 2.281,375 3.455,376 2.609,377 5.465,378 3.271,379 2.331,380 2.618,382 7.276,383 2.184,384 3.409,385 2.526,386 4.811,387 3.009,388 2.03,389 2.535,391 5.398,392 1.964,393 2.865,394 1.778,395 4.794,396 2.495,397 1.529,398 2.004,400 4.564,401 1.475,402 2.784,403 1.73,404 4.38,405 2.424,406 1.457,407 1.853,409 3.938,410 1.405,411 2.585,412 1.519,413 3.968,414 2.312,415 1.328,416 1.589,418 2.995,419 1.298,420 2.5,421 1.03,422 3.576,423 2,424 1,425 1.5,427 2.136,428 1,429 1.836,430 1,431 3.373,432 1.752,433 0.788,434 0.81,436 2.081,437 0.756,438 1.43,439 0.741,440 3.247,441 1.18,442 0.239,443 0.273,445 0.637,446 0.223,447 1.178,448 0.445,449 3.005,450 0.814,451 -0.157,452 -0.189,454 -0.394,455 -0.151,456 0.925,457 0.133,458 2.671,459 0.686,460 -0.266,461 -0.279,463 -0.672,464 -0.251,465 0.705,466 -0.045,467 2.575,468 0.464,469 -0.524,470 -0.668,472 -1.385,473 -0.512,474 12.367,475 0.476,476 0.86,477 0.033,478 32.25,479 1.24,480 15,481 0.577,482 17.25,483 0.663,484 24.1,485 0.927,486 28.433,487 0.558,488 23.533,489 0.905,490 6.204,491 0.239,492 6.194,493 0.238,494 0.189,495 0.04,496 0.348,501 0.812,502 1.438,503 0.842,504 1.17,505 0.638,506 1.03,507 0.706,508 0.871,509 0.783,510 0.771,511 0.398,512 0.769,513 0.996,514 1.385,515 1.077,516 1.266,517 0.724,518 1.194,519 1.155,520 0.99,521 1.068,522 0.997,523 0.719,524 1.005,525 1.159,526 1.149,527 1.099,528 1.21,529 1.253,530 1.161,531 1.543,532 0.731,533 0.93,534 0.747,535 1.627,536 0.773,537 1.254,538 0.933,539 0.993,540 0.95,541 1.217,542 0.95,543 1.481,544 0.928,545 1.216,546 0.983,547 2.113,548 1.06,549 6.5,550 0.134,551 4,552 3.521,553 1.766,554 0.979,555 0.714,556 0.359,557 0.295,558 0.206,559 7794,560 16980,561 2.069,562 49,563 6,564 15,565 1,567 1,569 2,572 1.691,573 1.891,574 3.281,575 -0.37,577 1,582 74.204,583 1.455,584 3.422,585 4.586,586 5.01,587 5.064,588 5.064,589 2.691,590 4.316,591 4.671,592 3.446,593 1119.79,594 8.096,595 13569.4,597 1,599 1,600 289.294,601 1.693,602 4.603,603 0.224,604 0.008,605 0.091,606 0.077,607 0.044,608 0.03,609 0.026,610 0.013,611 0.013,612 0.01,613 0.535,614 0.5,615 1,616 0.638,617 125.822,618 -0.003,619 -0.221,620 0.075,621 -0.08,622 -0.053,623 -0.007,624 0.288,625 0.283,626 0.187,627 0.23,628 0.245,629 0.205,630 -0.073,631 -0.282,632 -0.131,633 -0.23,634 -0.021,635 -0.196,636 -0.117,637 0.02,638 -0.077,639 -0.042,640 0.048,641 -0.045,642 -0.007,643 -0.197,644 -0.107,645 -0.229,646 0.001,647 -0.186,648 -0.079,649 0.123,650 0.117,651 0.19,652 -0.107,653 0.177,654 0.002,655 0.028,656 0.014,657 0.027,658 -0.006,659 0.018,660 -0.131,661 0.061,662 -0.201,663 -0.025,664 -0.235,665 -0.112,666 2.129,667 5.306,668 0.692,669 21.379,670 0.994,671 1.127,672 3.302,673 10.901,674 0.653,675 3.401,676 3.807,677 4.143,678 4.489,679 4.71,680 4.804,681 4.997,682 5.069,683 5.069,684 5.075,685 5.961,686 0.614,687 351.49,688 3.401,689 4.99,690 5.883,691 6.817,692 7.735,693 8.678,694 9.611,695 10.561,696 11.504,697 12.459,698 5.9,701 1,704 1,705 1,715 7,720 5,722 12,736 1,737 1,741 51,743 13,744 2,745 29,747 54,748 21,749 12,750 5,751 7,756 4,757 7,763 2,764 1,766 1,767 1,770 1,772 13,773 8,777 1,782 1,786 1,790 1,793 25,794 5,795 1,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 4,868 26,876 2,877 1,878 1,880 1,881 2,882 1,893 3.9,896 1,898 1,901 13.75,902 10.4,903 5.514,904 3.024,907 2.116,908 1.277,909 0.967,910 4.204,911 9.741,912 3.611,913 4.205,914 4.736,915 5.296,916 5.799,917 5.983,918 6.315,919 6.574,920 6.699,921 6.84,922 0.857,923 46,924 9.64,926 4.147,927 0.026,929 7.599,931 18.778,933 15.981,936 2.099,937 54.583,939 1,940 1,941 282.506,942 129.308,943 24.259,945 36.145,948 129.308,949 318.651,950 24.259,951 34.443,952 22.651,953 66.334,954 25.145,955 34.377,956 18.534,957 270.735,959 282.506,960 153.567,961 36.145,964 258.964,965 59.687,968 43.426,969 110.141,972 282.506,973 60.404,974 129.308,977 282.506,978 28.531,979 107.026,980 18.011,981 36.145,982 282.506,983 60.404,984 129.308,986 0.602,987 0.363,988 0.204,989 0.11,990 24,991 11,992 0.056,993 3,994 2,995 1.222,996 3.688,997 232.373,998 0.222,999 18,1000 118.211,1005 17.379,1006 6.289,1007 2.812,1009 60.404,1010 13.543,1015 4.812,1017 18.011,1018 472.218,1019 36,1024 12.306,1028 -0.462,1031 50.68,1032 57.481,1034 0.256,1035 0.603,1036 0.808,1037 0.883,1038 0.893,1039 0.893,1040 4.913,1041 1.457,1042 5.938,1043 4.564,1044 4.489,1045 4.89,1046 2.466,1047 6.887,1048 4.414,1049 6.141,1050 1.328,1051 7.59,1052 3.938,1053 4.369,1054 4.808,1055 1.905,1056 8.26,1057 4.268,1058 7.484,1059 1,1060 9.361,1061 2.995,1062 6.248,1063 7.028,1064 3.531,1065 11.435,1066 6.111,1067 8.863,1068 0.788,1069 11.208,1070 2.136,1071 6.957,1072 7.703,1073 3.612,1074 13.712,1075 6.806,1076 10.279,1077 0.239,1078 13.108,1079 2.081,1080 8.402,1081 9.479,1082 4.913,1083 16.538,1084 8.225,1085 11.722,1086 -0.157,1087 15.048,1088 0.637,1089 9.471,1090 10.51,1091 5.293,1092 19.131,1093 9.283,1094 13.187,1095 -0.266,1096 17.019,1097 -0.394,1098 10.796,1099 12.105,1100 6.388,1101 21.88,1102 10.589,1103 3.74,1104 -0.524,1105 19.013,1106 -0.672,1107 12.013,1108 13.322,1109 6.931,1110 24.569,1111 11.792,1112 2.871,1113 15.311,1114 21.027,1115 -1.385,1116 13.315,1117 14.834,1118 7.902,1119 27.302,1120 13.076,1121 2.601,1122 9.365,1123 23.056,1124 4.267,1125 14.59,1126 16.153,1127 8.539,1128 30.019,1129 14.335,1130 2.432,1131 8.497,1132 25.096,1133 3.557,1134 15.894,1135 17.625,1136 9.436,1137 32.748,1138 15.62,1139 2.331,1140 7.923,1141 27.146,1142 3.463,1143 17.193,1144 19,1145 10.13,1146 35.473,1147 16.9,1148 2.03,1149 7.276,1150 29.203,1151 2.856,1152 18.502,1153 20.456,1154 10.981,1155 38.202,1156 18.19,1157 1.529,1158 5.398,1159 31.265,1160 2.618,1161 19.811,1162 21.862,1163 11.71,1164 40.929,1165 19.479,1166 7419,1167 11091,1168 18.898,1169 33.302,1170 45.115,1171 45.821,1172 47.182,1173 44.692,1174 44.693,1175 54.651,1176 8.422,1177 140.242,1178 43.021,1179 5.806,1180 5.976,1181 7.808,1182 5.806,1183 5.74,1184 7.267,1185 3.889,1186 23.825,1187 5.66,1188 13.985,1189 1.556,1190 1.58,1191 1.627,1192 1.541,1193 1.541,1194 1.885,1195 0.29,1196 4.836,1197 1.483,1198 4.1,1199 4.136,1200 4.049,1201 4.007,1202 7.435,1203 4.013,1204 3.899,1205 3.934,1206 3.832,1207 3.821,1208 4.836,1209 3.818,1210 3.729,1211 3.773,1212 3.645,1213 3.601,1214 4.754,1215 3.604,1216 3.397,1217 3.442,1218 3.338,1219 3.127,1220 4.445,1221 3.159,1222 3.29,1223 3.363,1224 3.126,1225 3.071,1226 4.151,1227 3.074,1228 3.268,1229 3.361,1230 3.075,1231 3.028,1232 3.953,1233 3.042,1234 3.032,1235 3.13,1236 2.801,1237 2.847,1238 3.915,1239 2.822,1240 2.97,1241 3.087,1242 2.697,1243 2.751,1244 3.812,1245 2.715,1246 0.167,1247 0.137,1248 0.276,1249 0.163,1250 0.129,1251 4.842,1252 0.147,1253 3.976,1254 0.075,1255 8.006,1256 0.528,1257 4.717,1258 0.126,1259 3.74,1260 4.267,1261 2.186,1262 15.311,1263 3.66,1264 1.927,1265 1.908,1266 2.026,1267 2.022,1268 1.318,1269 2.02,1270 1.883,1271 1.852,1272 2.006,1273 1.976,1274 1.098,1275 1.988,1276 1.644,1277 1.591,1278 1.851,1279 1.836,1280 1.06,1281 1.838,1282 1.542,1283 1.459,1284 1.793,1285 1.765,1286 1.036,1287 1.788,1288 1.287,1289 1.215,1290 1.618,1291 1.566,1292 0.708,1293 1.573,1294 1.19,1295 1.146,1296 1.457,1297 1.501,1298 0.569,1299 1.47,1300 1.063,1301 0.97,1302 1.439,1303 1.305,1304 0.511,1305 1.359,1306 1.007,1307 0.891,1308 1.314,1309 1.281,1310 0.343,1311 1.336,1312 4.078,1314 5.46,1315 3.045,1316 7.038,1317 5.638,1318 8.713,1319 7.921,1320 10.449,1322 8.626,1328 2.174,1329 2.777,1330 5.648,1332 0.352,1333 4.751,1334 0.056,1340 31.289,1341 74.204,1342 174.504,1343 233.868,1344 255.519,1345 258.274,1346 258.274,1347 38.871,1348 7.625,1349 44.81,1350 44.81,1351 22,1352 12.948,1353 3.807,1354 3,1355 38.104,1356 93,1357 100,1358 0.204,1359 190.52,1360 332.72,1361 456.628,1362 20380,1364 18.474,1365 0.711,1366 0.606,1367 18.474,1368 15.744,1369 12.398,1370 0.428,1371 0.311,1372 8.897,1373 11.947,1374 8.513,1375 7.115,1376 12.398,1377 9.021,1378 11.966,1379 0.272,1380 0.174,1381 11.966,1382 7.648,1383 10.29,1384 0.166,1385 0.094,1386 10.29,1387 5.849,1388 9.145,1389 0.104,1390 0.052,1391 9.145,1392 4.572,1393 7.279,1394 0.066,1395 0.028,1396 7.279,1397 3.107,1398 0.316,1399 77.47,1400 0.23,1401 24.827,1402 0.572,1403 146,1404 367.094,1405 159.359,1406 356.271,1407 497.75,1408 334,1409 179,1410 380.092,1411 192.974,1412 388.128,1413 573.66,1414 362,1415 6.585}
{0 CHEMBL132619,1 1.46,2 5.75,3 2.81,4 7.893,5 64.408,6 7.143,7 0.611,8 3.515,9 3.635,10 3.062,11 3.083,12 4.571,13 3.057,14 4.051,15 4.218,16 3.437,17 3.487,18 5.04,19 3.439,20 4.265,21 4.458,22 3.536,23 3.613,24 5.234,25 3.552,26 4.305,27 4.52,28 3.415,29 3.535,30 5.369,31 3.453,32 4.243,33 4.489,34 3.01,35 3.378,36 5.183,37 3.244,38 4.036,39 4.322,40 2.536,41 3.105,42 4.748,43 2.892,44 3.758,45 4.078,46 1.82,47 2.677,48 4.329,49 2.398,50 3.169,51 3.547,52 0.705,53 1.976,54 3.541,55 1.583,56 0.028,57 0.434,58 6.495,59 2.788,60 5.881,61 3.698,62 0.125,63 0.695,64 12.058,65 4.911,66 11.405,67 6.618,68 0.094,69 0.862,70 15.263,71 5.831,72 12.014,73 8.091,74 0.221,75 0.893,76 16.444,77 5.496,78 28.445,79 7.865,80 0.217,81 0.799,82 16.039,83 4.985,84 27.693,85 7.193,86 0.103,87 0.584,88 13.27,89 5.069,90 15.899,91 7.278,92 0.126,93 0.4,94 10.625,95 3.872,96 13.082,97 5.537,98 0.042,99 0.214,100 5.927,101 2.203,102 6.158,103 3.38,104 5,105 26,106 0.279,107 0.67,108 0.827,109 0.857,110 0.857,111 0.857,112 2.857,113 0.929,114 -3.68,115 -3.65,116 -3.47,121 43.3,122 1,123 2,127 1,144 3,145 3,146 1,148 1,149 1,165 1,166 1,167 1,176 7,179 1,180 5,185 2,187 8,189 2,192 4,197 2,200 5,203 2,206 5,208 2,209 2,211 4,214 6,216 4,219 2,224 1,227 5,229 1,232 2,239 4,251 1,281 178,282 10.914,283 10.914,284 10.914,285 10.914,286 10.914,287 9.529,288 11.301,289 6.356,290 11.112,291 8.873,292 8.873,293 8.873,294 8.873,295 8.873,296 6.762,297 12.219,298 2.985,299 9.21,300 3.447,301 1.401,302 0.584,303 0.425,304 0.425,305 0.425,306 3.532,311 1,312 1,313 202,314 1.732,318 77.413,322 85.609,325 0.906,326 11.898,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 34,338 92,339 4.687,340 3.406,341 6.905,342 4.238,343 3.261,344 4.64,345 0.86,346 11.505,347 3.189,348 4.006,349 2.899,350 6.153,351 3.623,352 2.653,353 3.527,355 8.884,356 2.575,357 3.525,358 2.326,359 5.299,360 3.057,361 2.11,362 2.952,364 6.425,365 1.996,366 3.163,367 2.071,368 4.845,369 2.789,370 1.824,371 2.398,373 5.031,374 1.751,375 2.743,376 1.59,377 4.043,378 2.386,379 1.414,380 1.837,382 3.316,383 1.369,384 2.488,385 1.572,386 3.666,387 2.297,388 1.326,389 1.488,391 2.993,392 1.281,393 2.027,394 1.161,395 3.472,396 1.828,397 0.896,398 0.985,400 2.108,401 0.827,402 1.342,403 0.184,404 2.938,405 0.933,411 1.074,412 0.061,413 2.548,414 0.76,415 -0.222,416 -0.272,418 -0.539,419 -0.217,420 0.832,421 -0.258,422 2.337,423 0.452,424 -0.504,425 -0.633,427 -1.221,428 -0.478,429 0.27,430 -0.606,431 2,432 0.09,433 -0.856,434 -0.94,436 -2.048,437 -0.803,438 0.152,439 -0.938,440 1.834,441 -0.178,442 -1.137,443 -1.458,445 -3.024,446 -1.084,447 -0.102,448 -1.192,449 1.518,450 -0.427,451 -1.414,452 -1.797,454 -3.592,455 -1.384,456 -0.257,457 -1.387,458 1.315,459 -0.567,460 -1.529,461 -1.942,463 -4.536,464 -1.468,465 -0.5,466 -1.659,467 1.249,468 -0.856,469 -1.822,470 -2.203,472 -5.246,473 -1.707,474 7.633,475 0.477,476 0.401,477 0.025,478 21.25,479 1.328,480 11,481 0.688,482 10.25,483 0.641,484 11.155,485 0.697,486 16.967,487 0.566,488 12.175,489 0.761,490 3.999,491 0.25,492 3.772,493 0.236,494 0.118,496 0.393,501 0.945,502 1.096,503 0.825,504 0.986,505 1.123,506 0.898,507 0.934,508 1.021,509 0.783,510 0.922,511 0.703,512 0.858,513 1.006,514 1.234,515 0.866,516 1.048,517 0.916,518 0.96,519 1.141,520 1.18,521 1.113,522 1.093,523 1.142,524 1.091,525 1.586,526 0.952,527 1.431,528 1.044,529 1.866,530 1.169,531 0.737,532 0.942,533 1.06,534 1.128,535 0.821,536 1.137,537 1.06,538 0.748,539 1.046,540 0.913,541 0.743,542 0.99,543 0.106,544 0.763,545 0.766,546 0.928,547 0.247,548 0.935,549 2.5,551 2,552 1.625,553 1.311,554 0.41,555 0.1,556 0.028,559 1798,560 3995,561 2.135,562 46.7,563 5,564 5,567 2,569 2,572 1.559,573 2,574 2.577,575 0.39,577 1,578 1,579 1,582 43.798,583 1.46,584 3.506,585 4.323,586 4.482,587 4.482,588 4.482,589 1.924,590 3.25,591 3.979,592 2.59,593 310.851,594 6.732,595 2591.95,597 1,599 1,600 147.207,601 1.406,602 3.933,603 0.139,605 0.077,606 0.058,607 0.057,608 0.029,609 0.013,610 0.009,613 0.382,614 1,615 1,616 0.625,617 61.746,618 -0.064,619 0.046,620 0.048,621 0.046,622 -0.157,623 0.065,624 0.11,625 0.014,626 0.143,627 0.097,628 0.117,629 0.115,630 -0.021,631 -0.209,632 0.072,633 -0.062,634 -0.003,635 0.001,636 0.02,637 -0.119,638 -0.143,639 -0.172,640 0.121,641 -0.18,642 -0.359,643 0.087,644 -0.441,645 -0.148,646 -0.482,647 -0.27,648 -0.003,649 -0.087,650 -0.092,651 -0.146,652 -0.031,653 -0.13,654 -0.086,655 0.01,656 -0.025,657 0.064,658 -0.04,659 0.025,660 0.208,661 -0.049,662 0.236,663 0.048,664 0.226,665 0.128,666 0.943,667 2.221,668 0.875,669 7.234,670 0.994,671 1.123,672 2.453,673 6.016,674 0.668,675 2.944,676 3.296,677 3.638,678 3.951,679 4.19,680 4.234,681 4.29,682 4.344,683 4.344,684 4.025,685 3.567,686 0.631,687 214.29,688 2.944,689 4.489,690 5.371,691 6.275,692 7.172,693 8.084,694 8.986,695 9.899,696 10.803,697 11.717,698 6.7,702 1,708 1,714 2,715 3,716 1,720 4,722 11,733 1,739 1,741 30,743 11,744 1,745 18,747 32,748 13,749 9,750 3,751 3,756 3,757 6,763 1,767 2,770 2,772 9,773 4,790 1,793 14,794 3,795 2,796 3,802 2,808 0.333,809 1,822 1,829 3,833 2,859 1,864 1,868 16,869 1,876 3,878 1,893 3.3,898 1,901 8,902 5.7,903 3.472,904 1.885,907 2.419,908 1.372,909 1.029,910 2.163,911 8.925,912 3.199,913 3.882,914 4.567,915 5.224,916 5.821,917 6.17,918 6.508,919 6.843,920 7.131,921 6.914,922 0.75,923 28,924 5.91,926 2.534,927 0.026,929 7.563,931 11.537,933 9.741,936 2.063,937 33,938 0.005,941 141.253,942 65.575,943 49.683,945 11,948 65.575,949 152.253,950 49.683,951 8.825,952 9.661,953 61.326,954 16.786,955 24.845,956 4.815,957 141.253,959 141.253,960 115.258,961 11,964 117.711,965 34.542,968 20.631,969 77.841,970 16.786,972 141.253,973 60.683,974 65.575,977 141.253,978 28.321,979 37.254,981 60.683,982 141.253,983 60.683,984 65.575,986 0.588,987 0.365,988 0.212,989 0.113,990 15,991 6,994 2,995 1.286,996 2.78,997 117.95,998 0.286,999 14,1000 62,1005 9.761,1006 3.546,1007 1.442,1008 2.005,1009 60.683,1010 6.048,1011 4.535,1015 3.823,1017 32.897,1018 267.511,1019 23.5,1031 29.833,1032 33.697,1034 0.298,1035 0.714,1036 0.881,1037 0.913,1038 0.913,1039 0.913,1040 4.44,1042 5.371,1043 2.108,1044 3.97,1045 4.564,1046 0.908,1047 6.244,1048 3.903,1049 5.674,1050 -0.222,1051 6.967,1053 3.611,1054 4.559,1056 7.273,1057 3.53,1058 7.015,1059 -0.504,1060 8.67,1061 -0.539,1062 5.609,1063 6.913,1064 0.739,1065 10.439,1066 5.491,1067 8.4,1068 -0.856,1069 10.437,1070 -1.221,1071 6.089,1072 7.751,1074 12.303,1075 5.961,1076 9.82,1077 -1.137,1078 12.243,1079 -2.048,1080 7.572,1081 9.601,1082 0.593,1083 14.993,1084 7.413,1085 11.266,1086 -1.414,1087 14.077,1088 -3.024,1089 8.441,1090 10.821,1092 17.19,1093 8.271,1094 12.731,1095 -1.529,1096 15.93,1097 -3.592,1098 9.724,1099 12.476,1100 0.469,1101 19.717,1102 9.528,1103 3.261,1104 -1.822,1105 17.797,1106 -4.536,1107 10.768,1108 13.87,1110 22.052,1111 10.556,1112 2.653,1113 11.505,1114 19.676,1115 -5.246,1116 11.977,1117 15.448,1118 0.366,1119 24.522,1120 11.742,1121 2.11,1122 8.884,1123 21.563,1124 4.64,1125 13.095,1126 16.92,1128 26.916,1129 12.842,1130 1.824,1131 6.425,1132 23.457,1133 3.527,1134 14.28,1135 18.47,1136 0.283,1137 29.366,1138 14.004,1139 1.414,1140 5.031,1141 25.356,1142 2.952,1143 15.431,1144 19.976,1146 31.785,1147 15.135,1148 1.326,1149 3.316,1150 27.26,1151 2.398,1152 16.608,1153 21.515,1154 0.217,1155 34.229,1156 16.291,1157 0.896,1158 2.993,1159 29.168,1160 1.837,1161 17.774,1162 23.036,1164 36.66,1165 17.436,1166 1775,1167 2726,1168 12.137,1169 20.034,1170 27.077,1171 27.344,1172 28.423,1173 26.981,1174 26.969,1175 35.654,1176 1.72,1177 80.524,1178 25.978,1179 5.632,1180 5.406,1181 6.587,1182 5.326,1183 5.261,1184 7.64,1185 1.72,1186 19.059,1187 5.189,1188 6.024,1189 1.504,1190 1.519,1191 1.579,1192 1.499,1193 1.498,1194 1.981,1195 0.096,1196 4.474,1197 1.443,1198 4.104,1199 4.129,1200 4.072,1201 4.031,1202 5.16,1203 4.037,1204 3.709,1205 3.749,1206 3.607,1207 3.593,1208 4.822,1209 3.59,1210 3.3,1211 3.373,1212 3.16,1213 3.151,1214 4.581,1215 3.144,1216 3.222,1217 3.299,1218 3.09,1219 3.07,1220 4.086,1221 3.061,1222 2.955,1223 3.041,1224 2.779,1225 2.683,1226 3.853,1227 2.696,1228 2.798,1229 2.915,1230 2.551,1231 2.526,1232 3.71,1233 2.523,1234 2.594,1235 2.643,1236 2.479,1237 2.426,1238 3.294,1239 2.43,1240 2.427,1241 2.526,1242 2.151,1243 2.16,1244 3.141,1245 2.145,1246 0.26,1247 0.189,1248 0.384,1249 0.235,1250 0.181,1251 4.687,1252 0.258,1253 3.406,1254 0.048,1255 6.905,1256 0.639,1257 4.238,1258 0.177,1259 3.261,1260 4.64,1261 0.86,1262 11.505,1263 3.189,1264 2.06,1265 2.04,1266 2.133,1267 2.153,1268 1.34,1269 2.147,1270 1.7,1271 1.66,1272 1.905,1273 1.853,1274 1.155,1275 1.872,1276 1.29,1277 1.227,1278 1.564,1279 1.499,1280 0.674,1281 1.519,1282 1.227,1283 1.157,1284 1.485,1285 1.437,1286 0.588,1287 1.464,1288 0.883,1289 0.808,1290 1.213,1291 1.199,1292 0.362,1293 1.191,1294 0.769,1295 0.651,1296 1.115,1297 1.121,1298 0.042,1299 1.151,1300 0.572,1301 0.529,1302 0.895,1303 0.796,1305 0.832,1306 0.432,1307 0.317,1308 0.77,1309 0.675,1311 0.707,1312 3.611,1314 4.949,1316 6.521,1318 8.203,1320 9.941,1322 2.066,1326 6.221,1328 2.742,1330 5.561,1340 18.918,1341 43.798,1342 105.168,1343 129.697,1344 134.452,1345 134.452,1346 134.452,1347 17.736,1348 6.506,1349 48.14,1350 48.14,1351 18,1352 12.231,1353 3.585,1354 2.7,1355 21.59,1356 37,1357 24,1358 0.333,1359 116.239,1360 192.17,1361 275.382,1362 4762,1364 11.121,1365 0.695,1366 0.58,1367 11.121,1368 9.286,1369 7.771,1370 0.432,1371 0.31,1372 5.518,1373 7.548,1374 5.358,1375 4.436,1376 7.771,1377 5.576,1378 7.049,1379 0.271,1380 0.163,1381 7.049,1382 4.23,1383 6.292,1384 0.17,1385 0.085,1386 6.292,1387 3.135,1388 5.67,1389 0.111,1390 0.045,1391 5.67,1392 2.318,1393 4.472,1394 0.069,1395 0.024,1396 4.472,1397 1.577,1398 0.478,1399 48.23,1400 0.287,1401 15.465,1402 1.058,1403 88,1404 222.693,1405 94.734,1406 217.825,1407 309.8,1408 206,1409 107,1410 239.117,1411 114.152,1412 243.138,1413 362.02,1414 230,1415 6.824}
{0 CHEMBL13308,1 1.553,2 13.417,3 4.096,4 16.78,5 107.252,6 7.089,7 0.4,8 4.006,9 4.128,10 3.621,11 3.55,12 4.948,13 3.451,14 4.571,15 4.781,16 3.868,17 3.902,18 5.404,19 3.766,20 4.66,21 4.836,22 3.892,23 3.972,24 5.503,25 3.779,26 4.845,27 5.147,28 3.794,29 3.97,30 5.498,31 3.74,32 4.603,33 4.806,34 3.637,35 3.851,36 5.422,37 3.665,38 4.609,39 4.859,40 3.628,41 3.823,42 5.303,43 3.583,44 4.412,45 4.666,46 3.598,47 3.739,48 5.056,49 3.459,50 4.464,51 4.744,52 3.287,53 3.622,54 5.078,55 3.348,56 0.04,57 0.738,58 13.696,59 5.659,60 9.009,61 7.191,62 0.251,63 1.184,64 31.184,65 9.65,66 18.417,67 11.585,68 0.44,69 1.213,70 35.001,71 11.509,72 26.589,73 13.269,74 0.214,75 1.345,76 36.234,77 12.816,78 24.378,79 16.317,80 0.371,81 1.092,82 31.067,83 10.275,84 26.985,85 11.93,86 0.284,87 1.137,88 32.187,89 10.277,90 20.323,91 13.008,92 0.101,93 0.971,94 25.703,95 9.823,96 11.288,97 11.615,98 0.261,99 0.96,100 33.998,101 10.159,102 16.554,103 11.242,104 25,105 32,106 0.265,107 0.467,108 0.622,109 0.635,110 0.648,111 0.648,112 3.226,113 1.252,114 -2.86,115 -2.87,116 -2.78,121 34.6,126 4,127 6,144 4,154 4,176 2,180 4,191 2,192 4,200 3,206 2,214 2,232 4,239 2,251 2,268 1,269 4,277 1,281 880,282 15.861,283 15.861,284 15.861,285 15.861,286 15.861,287 14.673,288 22.77,289 9.877,290 16.514,291 12.416,292 12.416,293 12.416,294 12.416,295 12.416,296 10.572,297 29.795,298 4.806,299 13.396,300 4.147,301 2.962,302 2.058,303 1.981,304 1.904,305 1.904,306 3.889,310 1,311 1,312 1,313 660,314 4,317 164.547,325 2.083,326 11.172,328 1,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 51,338 322,339 4.124,340 4.348,341 5.676,342 3.751,343 2.764,344 3.735,345 3.272,346 7.971,347 2.729,348 4.123,349 4.147,350 5.675,351 3.749,352 2.762,353 3.734,354 3.272,355 7.971,356 2.728,357 3.375,358 3.022,359 5.031,360 3.182,361 2.25,362 2.511,363 0.916,364 6.087,365 2.099,366 3.366,367 2.972,368 5.028,369 3.173,370 2.237,371 2.504,372 0.916,373 6.08,374 2.095,375 2.938,376 2.747,377 4.34,378 2.727,379 1.846,380 1.968,381 0.172,382 4.355,383 1.638,384 2.904,385 2.587,386 4.336,387 2.676,388 1.741,389 1.944,390 0.172,391 4.332,392 1.622,393 2.685,394 2.269,395 3.758,396 2.459,397 1.559,398 1.696,400 3.426,401 1.346,402 2.25,403 2.157,404 3.319,405 1.861,406 1.042,407 1.181,409 2.259,410 0.836,411 2.206,412 1.728,413 3.276,414 1.743,415 0.751,416 1.074,418 1.77,419 0.743,420 2.056,421 1.65,422 3.206,423 1.648,424 0.699,425 0.961,427 1.66,428 0.654,429 1.379,430 0.76,431 2.739,432 1.149,433 0.268,434 0.294,436 0.611,437 0.228,438 0.869,439 0.757,440 2.429,441 0.689,442 -0.25,443 -0.273,445 -0.652,446 -0.229,447 0.799,448 0.051,449 2.338,450 0.611,451 -0.338,452 -0.374,454 -0.896,455 -0.319,456 0.585,457 0.048,458 2.065,459 0.33,460 -0.547,461 -0.603,463 -1.33,464 -0.462,465 0.142,466 -0.54,467 1.512,468 -0.1,469 -1,470 -1,472 -2,473 -0.9,474 12.133,475 0.506,476 0.561,477 0.023,478 23,479 0.958,480 8,481 0.333,482 15,483 0.625,484 24.986,485 1.041,486 28.067,487 0.54,488 12.929,489 0.539,490 3.936,491 0.164,492 7.589,493 0.316,494 0.165,496 0.231,501 0.918,502 1.474,503 0.823,504 1.103,505 0.929,506 1.131,507 1.408,508 0.946,509 1.331,510 1.111,511 0.924,512 0.896,513 1.544,514 1.231,515 1.221,516 1.257,517 1.765,518 1.34,519 0.558,520 0.839,521 0.657,522 0.768,523 0.474,524 0.766,525 2.138,526 0.95,527 1.369,528 1.061,529 2.105,530 1.07,531 0.798,532 1.153,533 1.111,534 1.225,535 1.027,536 1.179,537 0.401,538 1.096,539 1.036,540 1.121,541 0.541,542 1.103,543 1.076,544 0.954,545 1.717,546 1.371,547 0.898,548 0.922,549 5.5,550 0.113,551 1.111,552 1.514,553 0.65,554 0.647,555 0.234,556 0.144,557 0.161,558 0.08,559 7615,560 17753,561 1.972,562 53.8,564 28,572 1.657,573 1.846,574 3.704,575 -0.74,577 1,582 80.758,583 1.553,584 2.738,585 3.642,586 3.719,587 3.796,588 3.796,589 3.085,590 3.418,591 4.557,592 3.905,593 1077.7,594 7.799,595 14474.9,597 1,599 1,600 296.423,601 1.384,602 4.513,603 0.22,604 0.007,605 0.035,606 0.061,607 0.025,608 0.028,609 0.013,610 0.008,611 0.01,612 0.005,613 0.412,614 0.33,615 0.88,616 1.219,617 120.54,618 0.038,619 -0.26,620 0.099,621 -0.051,622 0.025,623 -0.045,624 -0.147,625 0.231,626 -0.088,627 0.03,628 0.099,629 0.11,630 -0.054,631 -0.171,632 -0.139,633 -0.17,634 -0.348,635 -0.316,636 0.132,637 0.057,638 0.241,639 0.155,640 0.295,641 0.204,642 -0.39,643 0.064,644 -0.23,645 0.02,646 -0.481,647 -0.082,648 0.012,649 -0.145,650 -0.037,651 -0.155,652 -0.164,653 -0.163,654 0.076,655 -0.075,656 0.121,657 0.044,658 0.061,659 -0.037,660 -0.107,661 0.081,662 -0.19,663 -0.043,664 0.002,665 0.11,666 0.639,667 2.316,668 0.417,669 25.444,670 0.99,671 1.128,672 1.633,673 2.666,674 0.656,675 3.258,676 3.497,677 3.584,678 3.807,679 3.738,680 3.761,681 3.738,682 3.497,683 3.497,684 3.497,685 7.998,686 0.59,687 368.62,688 3.258,689 4.745,690 5.517,691 6.347,692 7.14,693 7.974,694 8.777,695 9.612,696 10.421,697 11.255,698 3.8,701 2,715 4,718 2,720 4,722 10,741 52,743 10,745 25,747 53,748 18,749 8,756 2,757 2,772 8,773 10,790 1,792 2,793 28,794 4,796 6,797 2,802 2,808 1,809 2,828 2,855 2,859 2,860 2,862 2,864 4,868 24,876 6,879 2,881 2,893 3.8,898 2,901 13,902 10.4,903 5.417,904 2.806,907 1.597,908 1.246,909 0.926,910 8.663,911 8.084,912 3.434,913 3.902,914 4.301,915 4.813,916 4.79,917 4.871,918 4.914,919 4.551,920 4.582,921 4.67,922 0.889,923 25,924 8.882,926 3.453,927 0.026,929 7.431,931 17.615,933 13.61,936 1.931,937 46.333,938 0.001,939 1,940 1,941 329.591,942 165.535,943 6.249,945 19.015,947 64.439,948 101.096,949 348.606,950 6.249,951 33.586,952 7.81,953 37.905,955 25.263,956 21.795,957 394.03,959 329.591,960 107.345,961 19.015,962 64.439,964 329.591,965 19.015,968 14.059,969 93.286,971 64.439,972 329.591,973 25.263,974 165.535,977 329.591,978 94.045,979 77.739,981 19.015,982 329.591,983 25.263,984 165.535,986 0.56,987 0.28,988 0.156,989 0.076,990 12,991 6,992 0.208,993 11,995 1,996 3.861,997 163.32,999 10,1000 82.039,1001 2,1005 19.826,1006 10.487,1007 7.966,1009 25.263,1010 8.335,1013 11.633,1015 4.218,1018 520.389,1019 30,1031 51.498,1032 58.653,1034 0.272,1035 0.48,1036 0.639,1037 0.652,1038 0.666,1039 0.666,1040 4.63,1041 1.042,1042 5.46,1043 3.426,1044 4.174,1045 4.585,1046 3.847,1047 6.125,1048 4.058,1049 5.768,1050 0.751,1051 6.921,1052 2.259,1053 3.611,1054 4.205,1055 0.57,1056 6.676,1057 3.519,1058 7.011,1059 0.699,1060 8.469,1061 1.77,1062 5.624,1063 6.591,1064 6.135,1065 9.685,1066 5.453,1067 8.287,1068 0.268,1069 10.066,1070 1.66,1071 5.832,1072 7.09,1073 0.674,1074 11.046,1075 5.709,1076 9.597,1077 -0.25,1078 11.695,1079 0.611,1080 7.309,1081 8.905,1082 8.5,1083 13.518,1084 7.119,1085 10.929,1086 -0.338,1087 13.345,1088 -0.652,1089 7.897,1090 9.825,1091 0.66,1092 15.246,1093 7.753,1094 12.28,1095 -0.547,1096 15.012,1097 -0.896,1098 9.133,1099 11.381,1100 10.87,1101 17.497,1102 8.94,1103 2.764,1104 -1,1105 16.69,1106 -1.33,1107 9.922,1108 12.507,1109 0.611,1110 19.404,1111 9.762,1112 2.762,1113 7.971,1114 18.378,1115 -2,1116 11.042,1117 13.939,1118 13.241,1119 21.558,1120 10.847,1121 2.25,1122 7.971,1123 20.073,1124 3.735,1125 11.938,1126 15.165,1127 0.55,1128 23.551,1129 11.761,1130 2.237,1131 6.087,1132 21.774,1133 3.734,1134 13.002,1135 16.537,1136 15.613,1137 25.661,1138 12.801,1139 1.846,1140 6.08,1141 23.48,1142 2.511,1143 13.954,1144 17.811,1145 0.487,1146 27.696,1147 13.761,1148 1.741,1149 4.355,1150 25.19,1151 2.504,1152 14.991,1153 19.155,1154 17.984,1155 29.786,1156 14.779,1157 1.559,1158 4.332,1159 26.903,1160 1.968,1161 15.973,1162 20.452,1163 0.427,1164 31.842,1165 15.761,1166 7652,1167 11812,1168 16.296,1169 34.114,1170 36.414,1171 42.046,1172 36.448,1173 35.818,1174 35.838,1175 43.203,1176 17.445,1177 93.045,1178 33.437,1179 5.057,1180 6.109,1181 5.501,1182 4.904,1183 4.764,1184 6.347,1185 6.545,1186 13.55,1187 4.616,1188 13.451,1189 1.457,1190 1.682,1191 1.458,1192 1.433,1193 1.434,1194 1.728,1195 0.698,1196 3.722,1197 1.337,1198 3.964,1199 3.979,1200 4.045,1201 3.836,1202 5.044,1203 3.835,1204 3.927,1205 3.939,1206 3.926,1207 3.784,1208 5.024,1209 3.797,1210 3.574,1211 3.649,1212 3.77,1213 3.522,1214 4.278,1215 3.425,1216 3.541,1217 3.628,1218 3.568,1219 3.327,1220 4.266,1221 3.317,1222 3.472,1223 3.524,1224 3.368,1225 3.283,1226 3.999,1227 3.28,1228 3.113,1229 3.17,1230 3.326,1231 3.085,1232 3.646,1233 2.98,1234 2.964,1235 3.053,1236 2.75,1237 2.809,1238 3.622,1239 2.781,1240 2.874,1241 3.009,1242 2.593,1243 2.618,1244 3.616,1245 2.57,1246 0.165,1247 0.174,1248 0.227,1249 0.15,1250 0.111,1251 4.124,1252 0.149,1253 4.348,1254 0.131,1255 5.676,1256 0.319,1257 3.751,1258 0.109,1259 2.764,1260 3.735,1261 3.272,1262 7.971,1263 2.729,1264 1.65,1265 1.612,1266 1.869,1267 1.883,1268 1.146,1269 1.882,1270 1.646,1271 1.589,1272 1.867,1273 1.881,1274 1.033,1275 1.88,1276 1.626,1277 1.586,1278 1.735,1279 1.73,1280 1.033,1281 1.783,1282 1.538,1283 1.515,1284 1.687,1285 1.672,1286 0.926,1287 1.69,1288 1.391,1289 1.335,1290 1.62,1291 1.541,1292 0.81,1293 1.579,1294 1.295,1295 1.233,1296 1.532,1297 1.53,1298 0.663,1299 1.537,1300 1.251,1301 1.198,1302 1.506,1303 1.507,1304 0.649,1305 1.507,1306 0.934,1307 0.804,1308 1.417,1309 1.239,1310 0.469,1311 1.308,1312 3.932,1314 5.187,1315 3.045,1316 6.575,1317 5.283,1318 8.031,1319 7.248,1320 9.531,1322 8.209,1328 5.863,1331 3.844,1333 4.232,1340 30.695,1341 80.758,1342 142.384,1343 189.403,1344 193.403,1345 197.403,1346 197.403,1347 39.427,1348 6.488,1349 32.76,1350 83.36,1351 10,1352 11.831,1353 3.459,1354 2.585,1355 49.168,1356 118,1357 90,1358 0.2,1359 200.779,1360 339.48,1361 481.661,1362 5880,1364 17.364,1365 0.723,1366 0.696,1367 18.071,1368 16.712,1369 11.525,1370 0.461,1371 0.417,1372 8.194,1373 10.087,1374 7.544,1375 6.369,1376 12.525,1377 10.437,1378 10.341,1379 0.323,1380 0.266,1381 11.337,1382 8.527,1383 6.884,1384 0.197,1385 0.156,1386 8.059,1387 5.461,1388 5.862,1389 0.133,1390 0.095,1391 7,1392 4.201,1393 3.706,1394 0.09,1395 0.068,1396 4.757,1397 2.784,1398 0.336,1399 82.345,1400 0.248,1401 24.718,1402 0.49,1403 114,1404 318.482,1405 163.129,1406 340.693,1407 451.02,1408 322,1409 124,1410 290.105,1411 170.045,1412 314.309,1413 447.56,1414 286,1415 6.301}
{0 CHEMBL133388,1 1.698,2 7.842,3 2.972,4 8.83,5 76.673,6 7.897,7 0.55,8 3.642,9 3.77,10 3.322,11 3.188,12 4.769,13 3.133,14 4.143,15 4.349,16 3.651,17 3.501,18 5.222,19 3.442,20 4.188,21 4.342,22 3.713,23 3.586,24 5.425,25 3.518,26 4.417,27 4.663,28 3.658,29 3.51,30 5.586,31 3.451,32 4.17,33 4.394,34 3.545,35 3.487,36 5.219,37 3.377,38 4.087,39 4.255,40 3.346,41 3.452,42 5.205,43 3.298,44 4.023,45 4.214,46 3.075,47 3.318,48 5.119,49 3.172,50 4.178,51 4.486,52 2.729,53 3.22,54 4.965,55 2.986,56 0.033,57 0.558,58 7.343,59 3.202,60 4.535,61 4.07,62 0.32,63 0.85,64 17.581,65 4.947,66 14.681,67 6.615,68 0.11,69 0.886,70 13.809,71 5.365,72 18.771,73 7.061,74 0.457,75 0.957,76 22.034,77 5.247,78 52.331,79 7.188,80 0.185,81 0.835,82 15.899,83 4.927,84 19.448,85 6.412,86 0.21,87 0.776,88 20.514,89 5.993,90 23.342,91 6.319,92 0.135,93 0.67,94 13.528,95 4.852,96 21.948,97 6.118,98 0.186,99 0.643,100 17.226,101 5.928,102 25.597,103 8.318,104 31,105 28,106 0.314,107 0.626,108 0.742,109 0.763,110 0.763,111 0.763,112 3.011,113 1.057,114 -4.44,115 -4.37,116 -4.12,121 37.1,122 1,126 3,144 4,145 2,151 1,161 1,164 1,168 1,176 7,179 5,180 4,187 8,191 2,192 6,200 5,205 2,206 8,214 2,219 6,227 2,232 7,239 2,244 5,251 1,256 2,264 1,269 2,281 400,282 12.439,283 12.439,284 12.439,285 12.439,286 12.439,287 11.064,288 10.778,289 7.158,290 12.974,291 9.75,292 9.75,293 9.75,294 9.75,295 9.75,296 7.526,297 8.921,298 3.282,299 10.445,300 3.432,301 1.743,302 1.115,303 1.001,304 1.001,305 1.001,306 3.659,310 1,311 1,312 1,313 301,314 3.082,317 54.656,318 64.066,325 1.235,326 15.445,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 41,338 149,339 4.498,340 4.378,341 6.63,342 4.076,343 3.147,344 4.183,345 2.95,346 10.56,347 2.933,348 4.084,349 3.698,350 6.091,351 3.716,352 2.742,353 3.633,354 1.678,355 8.781,356 2.665,357 3.707,358 2.897,359 5.469,360 3.329,361 2.373,362 3.046,363 0.527,364 6.666,365 2.28,366 3.439,367 2.588,368 5.026,369 3.078,370 2.147,371 2.665,373 5.983,374 1.971,375 2.742,376 2.368,377 4.333,378 2.292,379 1.414,380 1.833,382 3.786,383 1.223,384 2.598,385 1.996,386 4.239,387 2.228,388 1.284,389 1.616,391 3.593,392 1.203,393 2.5,394 1.664,395 3.414,396 2,397 1,398 1.5,400 2.275,401 1,402 2.065,403 1.236,404 3.145,405 1.529,406 0.5,407 0.721,409 1.198,410 0.505,411 1.494,412 1,413 2.684,414 1.108,415 0.323,416 0.368,418 0.473,419 0.249,420 1.112,421 0.277,422 2.504,423 0.772,424 -0.212,425 -0.267,427 -0.465,428 -0.209,429 0.5,430 0.021,431 2,433 -1,434 -1,436 -2,437 -0.827,438 0.358,439 -0.458,440 1.87,441 -0.075,442 -1,443 -1.198,445 -2.415,446 -0.9,447 0.153,448 -0.6,449 1.718,450 -0.1,451 -1,452 -1.348,454 -2.941,455 -1,457 -0.986,458 1.426,459 -0.158,460 -1.115,461 -1.5,463 -3,464 -1.086,465 -0.097,466 -1,467 1.333,468 -0.457,469 -1.414,470 -1.802,472 -3.678,473 -1.368,474 9.267,475 0.488,476 0.562,477 0.03,478 24.25,479 1.276,480 12,481 0.632,482 12.25,483 0.645,484 14.272,485 0.751,486 20.733,487 0.592,488 16.322,489 0.859,490 4.729,491 0.249,492 4.295,493 0.226,494 0.252,496 0.356,501 0.663,502 1.43,503 0.741,504 1.054,505 0.607,506 1.018,507 0.605,508 0.889,509 0.943,510 0.922,511 0.534,512 0.7,513 0.763,514 1.517,515 0.792,516 1.22,517 0.864,518 1.192,519 1.755,520 0.853,521 0.833,522 0.636,523 1.874,524 0.7,525 1.237,526 0.949,527 0.966,528 0.788,529 0.829,530 0.869,531 1.717,532 1.261,533 2.227,534 1.758,535 1.526,536 1.361,537 1.294,538 1.19,539 1.339,540 1.328,541 1.354,542 1.433,543 0.721,544 0.72,545 0.711,546 0.777,547 0.827,548 0.968,549 4.5,551 2.667,552 1.319,553 1.282,554 0.834,555 0.31,556 0.268,557 0.16,558 0.071,559 2811,560 7916,561 1.935,562 45.7,563 3,564 13,572 1.606,573 1.754,574 2.988,575 -0.672,577 1,579 1,582 59.419,583 1.698,584 3.386,585 4.014,586 4.129,587 4.129,588 4.129,589 2.484,590 3.577,591 4.217,592 3.088,593 528.098,594 7.2,595 5133.71,596 1,597 1,598 1,599 1,600 179.525,601 1.568,602 4.14,603 0.225,605 0.095,606 0.047,607 0.051,608 0.038,609 0.017,610 0.019,611 0.018,612 0.014,613 0.525,614 0.5,615 1,616 1.296,617 81.632,618 0.08,619 -0.243,620 0.084,621 -0.07,622 -0.069,623 -0.061,624 0.373,625 0.235,626 0.134,627 0.116,628 0.137,629 0.25,630 0.19,631 -0.429,632 0.038,633 -0.273,634 0.148,635 -0.244,636 -0.17,637 0.132,638 0.093,639 0.185,640 -0.153,641 0.161,642 -0.247,643 0.144,644 0.021,645 0.168,646 -0.076,647 0.054,648 -0.472,649 -0.068,650 -0.658,651 -0.353,652 -0.207,653 -0.362,654 -0.299,655 -0.166,656 -0.437,657 -0.352,658 -0.216,659 -0.475,660 0.012,661 0.046,662 0.091,663 0.081,664 -0.023,665 0.05,666 1.866,667 4.996,668 0.579,669 13.529,670 1.003,671 1.132,672 3.211,673 10.309,674 0.677,675 3.045,676 3.367,677 3.611,678 3.807,679 3.989,680 4.043,681 3.989,682 3.97,683 3.97,684 3.664,685 4.744,686 0.633,687 276.4,688 3.045,689 4.575,690 5.416,691 6.29,692 7.159,693 8.039,694 8.917,695 9.801,696 10.682,697 11.568,698 11.4,705 1,706 1,708 2,715 4,716 2,720 4,721 1,722 11,741 35,743 12,744 1,745 20,747 36,748 13,749 8,750 2,751 4,752 1,756 2,757 2,761 1,763 1,772 9,773 4,777 1,782 1,786 1,789 1,790 1,793 16,794 4,796 6,797 1,802 4,808 1,809 1,828 1,829 1,859 2,860 1,862 1,864 4,868 19,879 1,881 1,890 1,893 2.9,896 1,901 10.833,902 7.717,903 4.278,904 1.858,907 2.099,908 1.341,909 0.941,910 4.151,911 8.26,912 3.314,913 3.907,914 4.49,915 5.023,916 5.47,917 5.77,918 6.031,919 6.329,920 6.647,921 6.611,922 1,923 28,924 6.986,926 2.816,927 0.026,929 7.772,931 13.215,933 10.119,936 2.272,937 43.167,938 0.001,941 188.338,942 116.601,943 38.349,945 25.145,947 32.22,948 84.381,949 213.483,950 38.349,951 32.808,952 3.124,953 37.905,954 58.593,955 11.169,956 4.276,957 220.557,959 188.338,960 122.731,961 25.145,962 32.22,964 190.666,965 25.145,968 14.419,969 72.535,970 33.449,971 32.22,972 188.338,973 63.494,974 116.601,977 188.338,978 45.888,979 75.614,981 58.593,982 188.338,983 63.494,984 116.601,986 0.585,987 0.345,988 0.171,989 0.098,990 13,991 7,992 0.056,993 2,995 1,996 3.012,997 134.965,999 11,1000 74.711,1001 1,1005 13.94,1006 5.657,1007 2.923,1009 61.718,1010 7.92,1011 8.695,1015 3.248,1016 1.333,1018 368.433,1019 26.5,1024 11.996,1028 -0.199,1031 35.113,1032 39.614,1034 0.331,1035 0.66,1036 0.783,1037 0.805,1038 0.805,1039 0.805,1040 4.541,1041 0.5,1042 5.425,1043 2.275,1044 4.043,1045 4.59,1046 3.158,1047 6.244,1048 3.928,1049 5.762,1050 0.323,1051 7.004,1052 1.198,1053 3.761,1054 4.46,1055 1.305,1056 7.195,1057 3.593,1058 7.076,1059 -0.212,1060 8.681,1061 0.473,1062 5.652,1063 6.782,1064 5.094,1065 10.265,1066 5.431,1067 8.429,1068 -1,1069 10.413,1070 -0.465,1071 6.155,1072 7.454,1073 2.419,1074 12.015,1075 5.868,1076 9.811,1077 -1,1078 12.179,1079 -2,1080 7.559,1081 9.263,1082 7.204,1083 14.621,1084 7.226,1085 11.215,1086 -1,1087 13.968,1088 -2.415,1089 8.398,1090 10.3,1091 3.517,1092 16.702,1093 7.991,1094 12.635,1095 -1.115,1096 15.775,1097 -2.941,1098 9.623,1099 11.896,1100 9.354,1101 19.144,1102 9.166,1103 3.147,1104 -1.414,1105 17.595,1106 -3,1107 10.617,1108 13.116,1109 4.595,1110 21.37,1111 10.081,1112 2.742,1113 10.56,1114 19.426,1115 -3.678,1116 11.775,1117 14.616,1118 11.513,1119 23.751,1120 11.183,1121 2.373,1122 8.781,1123 21.265,1124 4.183,1125 12.841,1126 15.931,1127 5.656,1128 26.043,1129 12.17,1130 2.147,1131 6.666,1132 23.11,1133 3.633,1134 13.977,1135 17.386,1136 13.675,1137 28.403,1138 13.243,1139 1.414,1140 5.983,1141 24.962,1142 3.046,1143 15.078,1144 18.751,1145 6.706,1146 30.725,1147 14.266,1148 1.284,1149 3.786,1150 26.818,1151 2.665,1152 16.209,1153 20.187,1154 15.839,1155 33.078,1156 15.329,1157 1,1158 3.593,1159 28.678,1160 1.833,1161 17.327,1162 21.579,1163 7.75,1164 35.415,1165 16.37,1166 2955,1167 5088,1168 12.542,1169 23.693,1170 30.403,1171 34.124,1172 31.895,1173 29.791,1174 29.859,1175 39.129,1176 10.31,1177 86.63,1178 28.058,1179 5.27,1180 6.378,1181 6.154,1182 5.11,1183 5.147,1184 7.183,1185 5.9,1186 17.562,1187 4.933,1188 11.669,1189 1.52,1190 1.706,1191 1.595,1192 1.49,1193 1.493,1194 1.956,1195 0.515,1196 4.332,1197 1.403,1198 4.01,1199 4.055,1200 4.079,1201 3.905,1202 7.429,1203 3.907,1204 3.798,1205 3.845,1206 3.809,1207 3.62,1208 5.018,1209 3.631,1210 3.512,1211 3.596,1212 3.529,1213 3.284,1214 4.657,1215 3.286,1216 3.202,1217 3.276,1218 3.306,1219 3.129,1220 4.204,1221 3.053,1222 3.102,1223 3.194,1224 2.943,1225 2.903,1226 3.91,1227 2.876,1228 2.874,1229 3.009,1230 2.691,1231 2.735,1232 3.804,1233 2.715,1234 2.854,1235 2.925,1236 2.687,1237 2.618,1238 3.674,1239 2.57,1240 2.83,1241 2.866,1242 2.499,1243 2.528,1244 3.548,1245 2.562,1246 0.225,1247 0.219,1248 0.332,1249 0.204,1250 0.157,1251 4.498,1252 0.209,1253 4.378,1254 0.148,1255 6.63,1256 0.528,1257 4.076,1258 0.147,1259 3.147,1260 4.183,1261 2.95,1262 10.56,1263 2.933,1264 1.924,1265 1.897,1266 2.04,1267 2.003,1268 1.143,1269 2.016,1270 1.591,1271 1.529,1272 1.798,1273 1.89,1274 0.855,1275 1.858,1276 1.363,1277 1.312,1278 1.559,1279 1.561,1280 0.708,1281 1.589,1282 1.298,1283 1.229,1284 1.538,1285 1.514,1286 0.639,1287 1.525,1288 1.069,1289 0.977,1290 1.417,1291 1.36,1292 0.469,1293 1.388,1294 0.934,1295 0.821,1296 1.269,1297 1.239,1298 0.299,1299 1.308,1300 0.913,1301 0.821,1302 1.181,1303 1.184,1304 0.218,1305 1.18,1306 0.886,1307 0.804,1308 1.1,1309 1.062,1310 0.12,1311 1.107,1312 3.714,1314 5.03,1315 2.398,1316 6.535,1317 4.727,1318 8.12,1319 6.843,1320 9.747,1322 7.292,1331 1.402,1333 1.479,1340 22.148,1341 59.419,1342 118.505,1343 140.505,1344 144.505,1345 144.505,1346 144.505,1347 28.899,1348 6.161,1349 51.02,1350 76.32,1351 11,1352 12.101,1353 3.7,1354 2.907,1355 33.524,1356 54,1357 55,1358 0.324,1359 145.424,1360 242.4,1361 346.595,1362 2842,1364 13.991,1365 0.736,1366 0.644,1367 14.345,1368 12.231,1369 9.024,1370 0.451,1371 0.352,1372 5.829,1373 8.171,1374 5.383,1375 4.611,1376 9.582,1377 7.049,1378 8.187,1379 0.292,1380 0.184,1381 8.653,1382 5.15,1383 6.764,1384 0.188,1385 0.091,1386 7.261,1387 3.263,1388 4.952,1389 0.113,1390 0.046,1391 5.449,1392 2.038,1393 3.933,1394 0.074,1395 0.027,1396 4.438,1397 1.43,1398 0.488,1399 62.397,1400 0.282,1401 18.76,1402 0.942,1403 96,1404 301.176,1405 127.15,1406 313.528,1407 425.46,1408 292,1409 112,1410 303.151,1411 140.21,1412 321.368,1413 466.93,1414 295,1415 6.097}
{0 CHEMBL133441,1 1.59,2 5.667,3 1.368,4 1.872,5 55.72,6 7.74,7 0.647,8 3.405,9 3.522,10 3.018,11 2.941,12 4.524,13 2.944,14 3.925,15 4.081,16 3.38,17 3.331,18 5.004,19 3.311,20 4.128,21 4.327,22 3.442,23 3.41,24 5.152,25 3.378,26 4.088,27 4.305,28 3.255,29 3.258,30 5.246,31 3.208,32 3.931,33 4.171,34 2.844,35 3.056,36 4.899,37 2.958,38 3.684,39 3.957,40 2.284,41 2.731,42 4.516,43 2.566,44 3.281,45 3.601,46 1.479,47 2.269,48 3.882,49 2.007,50 2.621,51 2.991,52 0.445,53 1.491,54 2.996,55 1.143,56 0.033,57 0.409,58 5.059,59 2.176,60 5.472,61 2.766,62 0.159,63 0.641,64 9.71,65 3.853,66 12,67 5.002,68 0.121,69 0.758,70 12.811,71 4.575,72 11.917,73 6.314,74 0.323,75 0.715,76 12.824,77 3.748,78 31.056,79 5.278,80 0.182,81 0.572,82 11.355,83 3.448,84 20.167,85 4.87,86 0.154,87 0.41,88 9.454,89 2.958,90 17.056,91 4.254,92 0.087,93 0.247,94 6.754,95 2.312,96 9.778,97 3.469,98 0.036,99 0.11,100 3.708,101 1.261,102 4.667,103 2.004,104 2,105 24,106 0.314,107 0.728,108 0.852,109 0.867,110 0.867,111 0.867,112 2.799,113 0.886,114 -3.13,115 -3.13,116 -3.01,121 42.3,123 2,127 1,144 2,145 2,146 1,147 1,149 1,151 1,165 1,166 1,167 1,176 4,179 2,180 6,185 2,187 3,189 2,192 4,197 2,200 2,203 2,205 1,206 4,208 3,209 3,211 2,214 3,216 2,219 2,227 2,232 2,239 1,281 142,282 10.414,283 10.414,284 10.414,285 10.414,286 10.414,287 9.074,288 8.875,289 6.183,290 10.676,291 8.4,292 8.4,293 8.4,294 8.4,295 8.4,296 6.368,297 8.831,298 2.924,299 8.839,300 3.11,301 1.01,302 0.385,303 0.308,304 0.308,305 0.308,306 3.476,311 1,312 1,313 189,314 1.581,318 70.902,322 78.581,325 0.889,326 13.207,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 32.5,338 85,339 4.625,340 3.366,341 6.769,342 4.17,343 3.203,344 4.554,345 0.86,346 11.036,347 3.099,348 3.912,349 2.729,350 5.982,351 3.49,352 2.532,353 3.433,355 8.37,356 2.427,357 3.472,358 2.319,359 5.279,360 3.006,361 2.087,362 2.852,364 6.329,365 1.909,366 2.935,367 1.691,368 4.116,369 2.488,370 1.518,371 2.139,373 3.329,374 1.47,375 2.583,376 1.574,377 3.757,378 2.319,379 1.347,380 1.61,382 3.225,383 1.305,384 2.486,385 1.389,386 3.594,387 2.171,388 1.247,389 1.486,391 2.902,392 1.142,393 1.95,394 0.96,395 3.39,396 1.697,397 0.764,398 0.883,400 1.804,401 0.708,402 1.337,403 0.173,404 2.843,405 0.924,411 0.916,412 -0.217,413 2.404,414 0.49,415 -0.445,416 -0.568,418 -1.091,419 -0.412,420 0.57,421 -0.596,422 2,423 0.108,424 -0.84,425 -0.933,427 -1.977,428 -0.783,429 0.263,430 -0.804,431 2,432 0.081,433 -0.879,434 -1.209,436 -2.123,437 -0.847,438 0.116,439 -1.018,440 1.541,441 -0.265,442 -1.205,443 -1.584,445 -3.218,446 -1.125,447 -0.222,448 -1.375,449 1.455,450 -0.568,451 -1.528,452 -1.905,454 -4.317,455 -1.462,456 -0.5,457 -1.652,458 1.184,459 -0.848,460 -1.802,461 -2.198,463 -5.194,464 -1.645,465 -0.5,466 -1.739,467 1.048,468 -1.03,469 -2,470 -2.561,472 -5.661,473 -1.898,474 7.033,475 0.469,476 0.312,477 0.021,478 21.25,479 1.417,480 11,481 0.733,482 10.25,483 0.683,484 8.931,485 0.595,486 15.767,487 0.606,488 11.727,489 0.782,490 4.021,491 0.268,492 3.339,493 0.223,494 0.057,496 0.355,501 0.949,502 1.212,503 0.746,504 1.001,505 1.056,506 0.858,507 0.944,508 1.04,509 0.805,510 0.967,511 0.739,512 0.893,513 0.992,514 1.303,515 0.795,516 1.064,517 0.847,518 0.93,519 1.148,520 0.937,521 1.161,522 0.96,523 1.252,524 1.037,525 1.338,526 0.998,527 1.293,528 1.064,529 1.409,530 1.141,531 1.19,532 0.827,533 1.3,534 1.034,535 1.282,536 1.157,537 0.598,538 0.732,539 1.054,540 1.008,541 0.622,542 1.1,543 0.082,544 0.687,545 0.733,546 0.947,547 0.227,548 0.959,549 2,551 1.778,552 1.188,553 1.08,554 0.236,555 0.078,559 1569,560 3938,561 2.186,562 42.3,563 2,564 4,566 1,567 2,569 2,572 1.537,573 2.093,574 2.568,575 0.496,579 1,582 41.349,583 1.59,584 3.69,585 4.316,586 4.393,587 4.393,588 4.393,589 1.933,590 3.107,591 3.886,592 2.554,593 268.133,594 6.537,595 2131.14,597 1,600 122.211,601 1.231,602 3.859,603 0.118,605 0.074,606 0.047,607 0.057,608 0.02,609 0.013,613 0.329,614 0.67,615 1,616 0.521,617 56.365,618 -0.104,619 -0.065,620 0.046,621 0.004,622 -0.142,623 0.05,624 0.088,625 0.008,626 0.071,627 0.031,628 0.09,629 0.039,630 -0.036,631 -0.323,632 0.136,633 -0.088,634 0.051,635 0.025,636 0.058,637 0.111,638 -0.192,639 -0.081,640 0.057,641 -0.165,642 -0.279,643 -0.033,644 -0.312,645 -0.146,646 -0.305,647 -0.212,648 -0.223,649 0.047,650 -0.278,651 -0.085,652 -0.296,653 -0.168,654 0.027,655 0.013,656 0.005,657 0.008,659 0.001,660 0.303,661 -0.065,662 0.399,663 0.097,664 0.304,665 0.233,666 1.009,667 2.08,668 0.933,669 6.373,670 1.006,671 1.129,672 1.904,673 3.625,674 0.674,675 2.89,676 3.219,677 3.555,678 3.85,679 4.111,680 4.111,681 4.174,682 4.205,683 4.205,684 3.807,685 3.459,686 0.649,687 201.25,688 2.89,689 4.419,690 5.293,691 6.184,692 7.076,693 7.974,694 8.871,695 9.771,696 10.669,697 11.57,698 11.5,702 1,708 2,714 2,715 3,716 2,720 3,722 11,733 1,739 1,741 26,743 11,745 17,747 28,748 11,749 8,756 3,757 6,767 2,770 2,772 8,773 3,790 1,793 11,794 4,795 2,796 4,802 3,808 0.333,809 1,822 2,829 3,833 2,859 1,868 15,869 1,876 3,878 1,893 3.8,898 1,901 7.167,902 4.65,903 3.278,904 1.606,907 2.411,908 1.378,909 1.038,910 1.908,911 8.783,912 3.157,913 3.818,914 4.494,915 5.135,916 5.749,917 6.056,918 6.403,919 6.723,920 7.009,921 6.654,922 0.75,923 25,924 5.521,925 -0.001,926 2.379,927 0.026,929 7.656,931 10.633,933 8.901,936 2.156,937 32.333,938 0.005,941 105.94,942 52.707,943 66.468,945 11,948 52.707,949 116.94,950 66.468,952 9.661,953 51.85,954 45.342,955 30.278,956 4.815,957 94.169,959 105.94,960 119.175,961 11,964 84.113,965 34.542,968 18.709,969 65.18,970 33.571,972 105.94,973 77.468,974 52.707,977 105.94,978 24.707,979 28,981 77.468,982 105.94,983 77.468,984 52.707,986 0.58,987 0.358,988 0.208,989 0.115,990 14,991 5,994 2,995 1.286,996 2.744,997 106.595,998 0.286,999 14,1000 58.603,1005 8.774,1006 3.262,1007 1.303,1008 1.581,1009 77.468,1010 5.528,1011 8.542,1015 2.453,1017 32.897,1018 236.115,1019 22.5,1031 26.167,1032 29.365,1034 0.338,1035 0.785,1036 0.918,1037 0.935,1038 0.935,1039 0.935,1040 4.379,1042 5.273,1043 1.804,1044 3.892,1045 4.5,1046 0.908,1047 6.12,1048 3.797,1049 5.595,1050 -0.445,1051 6.849,1053 3.434,1054 4.407,1056 7.091,1057 3.317,1058 6.922,1059 -0.84,1060 8.534,1061 -1.091,1062 5.501,1063 6.825,1064 0.739,1065 10.251,1066 5.331,1067 8.294,1068 -0.879,1069 10.285,1070 -1.977,1071 5.916,1072 7.603,1074 12.062,1075 5.73,1076 9.703,1077 -1.205,1078 12.078,1079 -2.123,1080 7.434,1081 9.484,1082 0.593,1083 14.733,1084 7.204,1085 11.138,1086 -1.528,1087 13.897,1088 -3.218,1089 8.26,1090 10.659,1092 16.874,1093 8.011,1094 12.594,1095 -1.802,1096 15.736,1097 -4.317,1098 9.554,1099 12.324,1100 0.469,1101 19.377,1102 9.267,1103 3.203,1104 -2,1105 17.588,1106 -5.194,1107 10.567,1108 13.684,1110 21.66,1111 10.257,1112 2.532,1113 11.036,1114 19.45,1115 -5.661,1116 11.774,1117 15.259,1118 0.366,1119 24.1,1120 11.429,1121 2.087,1122 8.37,1123 21.32,1124 4.554,1125 12.87,1126 16.705,1128 26.445,1129 12.498,1130 1.518,1131 6.329,1132 23.196,1133 3.433,1134 14.045,1135 18.243,1136 0.283,1137 28.861,1138 13.64,1139 1.347,1140 3.329,1141 25.077,1142 2.852,1143 15.178,1144 19.727,1146 31.236,1147 14.742,1148 1.247,1149 3.225,1150 26.963,1151 2.139,1152 16.343,1153 21.251,1154 0.217,1155 33.642,1156 15.874,1157 0.764,1158 2.902,1159 28.852,1160 1.61,1161 17.491,1162 22.752,1164 36.03,1165 16.992,1166 1532,1167 2513,1168 11.731,1169 17.517,1170 25.424,1171 25.766,1172 26.284,1173 25.423,1174 25.399,1175 33.915,1176 1.72,1177 73.989,1178 24.12,1179 5.57,1180 5.366,1181 6.454,1182 5.259,1183 5.203,1184 7.554,1185 1.72,1186 18.567,1187 5.046,1188 3.991,1189 1.496,1190 1.516,1191 1.546,1192 1.495,1193 1.494,1194 1.995,1195 0.101,1196 4.352,1197 1.419,1198 4.077,1199 4.109,1200 4.048,1201 3.972,1202 5.193,1203 3.986,1204 3.68,1205 3.726,1206 3.578,1207 3.547,1208 4.877,1209 3.546,1210 3.278,1211 3.351,1212 3.147,1213 3.127,1214 4.642,1215 3.121,1216 3.059,1217 3.135,1218 2.981,1219 2.784,1220 4.057,1221 2.828,1222 2.817,1223 2.919,1224 2.602,1225 2.595,1226 3.834,1227 2.58,1228 2.643,1229 2.757,1230 2.48,1231 2.393,1232 3.679,1233 2.412,1234 2.571,1235 2.61,1236 2.432,1237 2.305,1238 3.246,1239 2.321,1240 2.007,1241 2.161,1242 1.727,1243 1.671,1244 3.033,1245 1.655,1246 0.272,1247 0.198,1248 0.398,1249 0.245,1250 0.188,1251 4.625,1252 0.268,1253 3.366,1254 0.051,1255 6.769,1256 0.649,1257 4.17,1258 0.182,1259 3.203,1260 4.554,1261 0.86,1262 11.036,1263 3.099,1264 2.013,1265 1.987,1266 2.085,1267 2.139,1268 1.308,1269 2.123,1270 1.663,1271 1.618,1272 1.865,1273 1.832,1274 1.042,1275 1.844,1276 1.261,1277 1.2,1278 1.473,1279 1.473,1280 0.606,1281 1.479,1282 0.941,1283 0.873,1284 1.214,1285 1.254,1286 0.357,1287 1.227,1288 0.802,1289 0.708,1290 1.118,1291 1.124,1292 0.016,1293 1.156,1294 0.596,1295 0.495,1296 0.949,1297 0.911,1299 0.929,1300 0.517,1301 0.449,1302 0.79,1303 0.738,1305 0.751,1306 0.036,1308 0.519,1309 0.411,1311 0.467,1312 3.555,1314 4.875,1316 6.435,1318 8.104,1320 9.827,1326 6.08,1328 2.668,1330 5.481,1340 16.886,1341 41.349,1342 95.947,1343 112.211,1344 114.211,1345 114.211,1346 114.211,1347 15.486,1348 6.372,1349 61.03,1350 61.03,1351 18,1352 12.092,1353 3.585,1354 2.7,1355 19.787,1356 34,1357 20,1358 0.336,1359 103.848,1360 168.57,1361 245.15,1362 4073,1364 10.251,1365 0.683,1366 0.549,1367 10.251,1368 8.233,1369 7.36,1370 0.433,1371 0.295,1372 4.945,1373 7.07,1374 4.87,1375 4.003,1376 7.36,1377 5.019,1378 6.512,1379 0.271,1380 0.151,1381 6.512,1382 3.636,1383 5.892,1384 0.173,1385 0.079,1386 5.892,1387 2.677,1388 5.149,1389 0.112,1390 0.042,1391 5.149,1392 1.917,1393 4.302,1394 0.072,1395 0.022,1396 4.302,1397 1.345,1398 0.482,1399 46.22,1400 0.292,1401 14.609,1402 1.061,1403 82,1404 234.338,1405 90.511,1406 226.368,1407 319.13,1408 214,1409 99,1410 244.581,1411 107.983,1412 246.113,1413 366.16,1414 233,1415 5.203}
{0 CHEMBL133448,1 1.383,2 5.667,3 1.835,4 3.367,5 58.091,6 7.117,7 0.647,8 3.445,9 3.579,10 2.993,11 3.034,12 4.487,13 3,14 3.983,15 4.164,16 3.353,17 3.449,18 4.941,19 3.384,20 4.248,21 4.482,22 3.426,23 3.553,24 5.167,25 3.467,26 4.206,27 4.453,28 3.23,29 3.418,30 5.205,31 3.312,32 4.085,33 4.361,34 2.836,35 3.22,36 4.966,37 3.072,38 3.832,39 4.131,40 2.281,41 2.913,42 4.559,43 2.693,44 3.457,45 3.799,46 1.517,47 2.417,48 3.998,49 2.119,50 2.742,51 3.128,52 0.454,53 1.555,54 3.091,55 1.186,56 0.031,57 0.438,58 6.023,59 2.445,60 5.644,61 3.441,62 0.073,63 0.712,64 10.971,65 4.466,66 8.503,67 6.352,68 0.092,69 0.876,70 15.259,71 5.489,72 13.181,73 8.156,74 0.187,75 0.836,76 15.001,77 4.766,78 23.952,79 7.195,80 0.157,81 0.695,82 13.699,83 4.162,84 20.476,85 6.397,86 0.098,87 0.495,88 10.767,89 3.772,90 14.011,91 5.663,92 0.056,93 0.302,94 7.643,95 2.866,96 8.44,97 4.301,98 0.026,99 0.125,100 3.829,101 1.424,102 4.042,103 2.173,104 2,105 24,106 0.269,107 0.665,108 0.781,109 0.836,110 0.864,111 0.864,112 2.799,113 0.949,114 -3.14,115 -3.14,116 -3.02,121 42.9,123 4,144 2,145 2,146 1,147 1,148 1,151 1,165 1,166 1,167 1,176 6,179 1,180 5,185 2,187 6,189 2,192 4,197 2,200 4,203 2,206 4,208 2,209 2,211 3,214 4,216 3,219 2,224 1,227 4,229 1,232 1,239 3,251 1,281 142,282 10.414,283 10.414,284 10.414,285 10.414,286 10.414,287 9.074,288 7.039,289 6.183,290 10.543,291 8.4,292 8.4,293 8.4,294 8.4,295 8.4,296 6.368,297 3.386,298 2.924,299 8.627,300 3.424,301 1.384,302 0.786,303 0.5,304 0.357,305 0.357,306 3.476,311 1,312 1,313 189,314 1.581,318 70.902,322 78.581,325 0.889,326 10.009,329 1,330 0.67,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.83,337 31.5,338 85,339 4.625,340 3.333,341 6.769,342 4.18,343 3.203,344 4.554,346 11.036,347 3.129,348 3.912,349 2.662,350 5.982,351 3.513,352 2.532,353 3.433,355 8.37,356 2.483,357 3.472,358 2.246,359 5.279,360 3.033,361 2.087,362 2.852,364 6.329,365 1.971,366 2.935,367 1.571,368 4.116,369 2.502,370 1.518,371 2.139,373 3.329,374 1.493,375 2.583,376 1.439,377 3.757,378 2.335,379 1.347,380 1.61,382 3.225,383 1.329,384 2.486,385 1.35,386 3.594,387 2.219,388 1.247,389 1.486,391 2.902,392 1.209,393 1.95,394 0.916,395 3.39,396 1.728,397 0.764,398 0.883,400 1.804,401 0.735,402 1.337,403 0.121,404 2.843,405 0.941,411 0.916,412 -0.404,413 2.404,414 0.522,415 -0.445,416 -0.568,418 -1.091,419 -0.429,420 0.57,421 -0.625,422 2,423 0.131,424 -0.84,425 -0.933,427 -1.977,428 -0.808,429 0.263,430 -0.826,431 2,432 0.103,433 -0.879,434 -1.209,436 -2.123,437 -0.867,438 0.116,439 -1.1,440 1.541,441 -0.235,442 -1.205,443 -1.584,445 -3.218,446 -1.168,447 -0.222,448 -1.381,449 1.455,450 -0.56,451 -1.528,452 -1.905,454 -4.317,455 -1.479,456 -0.5,457 -1.728,458 1.184,459 -0.834,460 -1.802,461 -2.198,463 -5.194,464 -1.709,465 -0.5,466 -1.814,467 1.048,468 -1,469 -2,470 -2.561,472 -5.661,473 -1.941,474 7.2,475 0.48,476 0.312,477 0.021,478 20.25,479 1.35,480 10.5,481 0.7,482 9.75,483 0.65,484 9.994,485 0.666,486 15.6,487 0.557,488 10.664,489 0.711,490 3.604,491 0.24,492 3.756,493 0.25,494 0.056,496 0.347,501 0.993,502 1.143,503 0.831,504 0.945,505 1.061,506 0.883,507 0.657,508 1.13,509 0.83,510 1.047,511 0.587,512 0.973,513 0.89,514 1.206,515 0.831,516 1.013,517 0.762,518 0.933,519 1.299,520 1.066,521 1.142,522 1.05,523 1.297,524 1.073,525 1.641,526 0.91,527 1.292,528 0.974,529 1.675,530 1.074,531 1.054,532 0.866,533 1.209,534 1.076,535 1.175,536 1.145,537 0.506,538 0.754,539 0.963,540 1.001,541 0.545,542 1.026,543 0.145,544 0.609,545 0.67,546 0.809,547 0.256,548 0.799,549 2,551 1.778,552 1.188,553 1.08,554 0.236,555 0.078,559 1569,560 3322,561 2.186,562 46.4,563 6,564 2,566 1,567 2,568 2,572 1.537,573 2.093,574 2.568,575 0.431,579 1,582 38.726,583 1.383,584 3.423,585 4.022,586 4.307,587 4.45,588 4.45,589 1.933,590 3.107,591 3.886,592 2.554,593 268.133,594 6.537,595 2131.14,597 1,600 134.606,601 1.231,602 3.859,603 0.118,605 0.074,606 0.047,607 0.057,608 0.02,609 0.013,613 0.329,614 1,615 1,616 0.521,617 56.365,618 -0.096,619 0.013,620 0.044,621 0.073,622 -0.078,623 0.074,624 0.155,625 -0.072,626 0.071,627 -0.032,628 0.136,629 0.003,630 0.055,631 -0.218,632 0.12,633 -0.039,634 0.121,635 0.033,636 -0.014,637 -0.032,638 -0.163,639 -0.142,640 0.009,641 -0.164,642 -0.382,643 0.078,644 -0.299,645 -0.071,646 -0.377,647 -0.158,648 -0.191,649 0.007,650 -0.229,651 -0.115,652 -0.261,653 -0.165,654 0.067,655 -0.011,656 0.035,658 0.012,659 0.011,660 0.304,661 0.014,662 0.371,663 0.202,664 0.243,665 0.278,666 0.879,667 2.16,668 0.933,669 6.373,670 0.99,671 1.128,672 1.913,673 3.659,674 0.672,675 2.89,676 3.219,677 3.555,678 3.85,679 4.111,680 4.111,681 4.174,682 4.205,683 4.205,684 3.807,685 3.459,686 0.632,687 199.28,688 2.89,689 4.419,690 5.293,691 6.184,692 7.076,693 7.974,694 8.871,695 9.771,696 10.669,697 11.57,698 10.7,702 1,708 2,714 2,715 3,716 2,720 3,722 11,733 1,741 28,743 11,745 17,747 30,748 12,749 8,756 3,757 6,767 4,770 4,772 8,773 4,790 1,793 13,794 3,795 2,796 3,802 3,808 0.333,822 2,829 3,833 2,859 1,868 15,869 1,876 4,901 7.167,902 4.983,903 3.278,904 1.856,907 2.411,908 1.378,909 1.047,910 1.928,911 8.783,912 3.157,913 3.818,914 4.494,915 5.135,916 5.749,917 6.056,918 6.403,919 6.723,920 7.009,921 6.654,922 0.75,923 25,924 5.543,925 -0.001,926 2.388,927 0.026,929 7.522,931 10.915,933 9.35,936 2.022,937 30.333,938 0.007,941 129.482,942 51.125,943 66.468,948 51.125,949 129.482,950 66.468,952 10.138,953 51.85,954 45.342,955 22.035,957 117.711,959 129.482,960 117.594,964 131.197,968 21.942,969 60.365,970 33.571,972 129.482,973 66.468,974 51.125,977 129.482,978 23.125,979 28,981 66.468,982 129.482,983 66.468,984 51.125,986 0.58,987 0.358,988 0.208,989 0.115,990 14,991 5,994 2,995 1.286,996 2.744,997 106.595,998 0.286,999 14,1000 58.603,1005 8.81,1006 3.283,1007 1.314,1008 1.786,1009 66.468,1010 5.68,1011 8.845,1015 3.3,1017 32.897,1018 247.076,1019 22.5,1031 27.723,1032 31.571,1034 0.288,1035 0.712,1036 0.837,1037 0.896,1038 0.926,1039 0.926,1040 4.379,1042 5.273,1043 1.804,1044 3.892,1045 4.5,1047 6.12,1048 3.839,1049 5.595,1050 -0.445,1051 6.849,1053 3.434,1054 4.407,1056 7.091,1057 3.356,1058 6.922,1059 -0.84,1060 8.534,1061 -1.091,1062 5.501,1063 6.825,1065 10.251,1066 5.399,1067 8.294,1068 -0.879,1069 10.285,1070 -1.977,1071 5.916,1072 7.603,1074 12.062,1075 5.79,1076 9.703,1077 -1.205,1078 12.078,1079 -2.123,1080 7.434,1081 9.484,1083 14.733,1084 7.288,1085 11.138,1086 -1.528,1087 13.897,1088 -3.218,1089 8.26,1090 10.659,1092 16.874,1093 8.09,1094 12.594,1095 -1.802,1096 15.736,1097 -4.317,1098 9.554,1099 12.324,1101 19.377,1102 9.364,1103 3.203,1104 -2,1105 17.588,1106 -5.194,1107 10.567,1108 13.684,1110 21.66,1111 10.354,1112 2.532,1113 11.036,1114 19.45,1115 -5.661,1116 11.774,1117 15.259,1119 24.1,1120 11.539,1121 2.087,1122 8.37,1123 21.32,1124 4.554,1125 12.87,1126 16.705,1128 26.445,1129 12.611,1130 1.518,1131 6.329,1132 23.196,1133 3.433,1134 14.045,1135 18.243,1137 28.861,1138 13.764,1139 1.347,1140 3.329,1141 25.077,1142 2.852,1143 15.178,1144 19.727,1146 31.236,1147 14.872,1148 1.247,1149 3.225,1150 26.963,1151 2.139,1152 16.343,1153 21.251,1155 33.642,1156 16.014,1157 0.764,1158 2.902,1159 28.852,1160 1.61,1161 17.491,1162 22.752,1164 36.03,1165 17.139,1166 1532,1167 2309,1168 11.731,1169 18.824,1170 25.424,1171 25.621,1172 26.284,1173 25.433,1174 25.399,1175 33.915,1177 73.989,1178 24.698,1179 5.57,1180 5.333,1181 6.454,1182 5.229,1183 5.203,1184 7.554,1186 18.567,1187 5.129,1188 3.991,1189 1.496,1190 1.507,1191 1.546,1192 1.496,1193 1.494,1194 1.995,1196 4.352,1197 1.453,1198 4.091,1199 4.127,1200 4.056,1201 3.998,1202 5.174,1203 4.008,1204 3.718,1205 3.771,1206 3.606,1207 3.616,1208 4.864,1209 3.607,1210 3.289,1211 3.363,1212 3.162,1213 3.142,1214 4.417,1215 3.138,1216 3.135,1217 3.217,1218 3.009,1219 2.951,1220 3.991,1221 2.948,1222 2.89,1223 3.001,1224 2.691,1225 2.639,1226 3.793,1227 2.648,1228 2.653,1229 2.765,1230 2.506,1231 2.53,1232 3.462,1233 2.521,1234 2.635,1235 2.709,1236 2.436,1237 2.307,1238 3.245,1239 2.321,1240 2.008,1241 2.164,1242 1.75,1243 1.677,1244 2.968,1245 1.665,1246 0.272,1247 0.196,1248 0.398,1249 0.246,1250 0.188,1251 4.625,1252 0.268,1253 3.333,1255 6.769,1256 0.649,1257 4.18,1258 0.184,1259 3.203,1260 4.554,1262 11.036,1263 3.129,1264 2.04,1265 2.01,1266 2.131,1267 2.153,1268 1.42,1269 2.147,1270 1.725,1271 1.677,1272 1.909,1273 1.864,1274 1.058,1275 1.885,1276 1.271,1277 1.212,1278 1.489,1279 1.482,1280 0.748,1281 1.488,1282 1.129,1283 1.049,1284 1.435,1285 1.348,1286 0.577,1287 1.381,1288 0.835,1289 0.738,1290 1.144,1291 1.168,1292 0.197,1293 1.177,1294 0.661,1295 0.6,1296 0.961,1297 0.92,1299 0.933,1300 0.591,1301 0.461,1302 0.922,1303 0.852,1305 0.896,1306 0.044,1308 0.673,1309 0.447,1311 0.535,1312 3.555,1314 4.875,1316 6.435,1318 8.104,1320 9.827,1326 6.16,1328 4.563,1340 17.698,1341 38.726,1342 95.851,1343 112.606,1344 120.606,1345 124.606,1346 124.606,1347 15.537,1348 6.372,1349 51.8,1350 51.8,1351 18,1352 12.092,1353 3.585,1354 2.7,1355 19.787,1356 34,1357 20,1358 0.336,1359 109.444,1360 177.08,1361 258.804,1362 4073,1364 10.251,1365 0.683,1366 0.569,1367 10.251,1368 8.532,1369 7.36,1370 0.433,1371 0.316,1372 5.339,1373 7.198,1374 5.236,1375 4.324,1376 7.36,1377 5.38,1378 6.512,1379 0.271,1380 0.168,1381 6.512,1382 4.032,1383 5.892,1384 0.173,1385 0.091,1386 5.892,1387 3.082,1388 5.149,1389 0.112,1390 0.05,1391 5.149,1392 2.29,1393 4.302,1394 0.072,1395 0.028,1396 4.302,1397 1.687,1398 0.482,1399 45.312,1400 0.292,1401 14.609,1402 1.061,1403 82,1404 190.602,1405 86.857,1406 192.742,1407 276.01,1408 182,1409 99,1410 215.127,1411 104.329,1412 219.921,1413 325.6,1414 209,1415 6.368}
{0 CHEMBL133520,1 1.678,2 5.75,3 2.529,4 6.395,5 59.583,6 8.083,7 0.611,8 3.442,9 3.55,10 3.077,11 2.996,12 4.612,13 3.002,14 3.968,15 4.111,16 3.465,17 3.392,18 5.127,19 3.383,20 4.21,21 4.399,22 3.573,23 3.48,24 5.369,25 3.47,26 4.179,27 4.379,28 3.472,29 3.331,30 5.582,31 3.321,32 4.042,33 4.264,34 3.02,35 3.136,36 5.194,37 3.075,38 3.803,39 4.052,40 2.604,41 2.845,42 4.933,43 2.711,44 3.474,45 3.788,46 1.828,47 2.38,48 4.329,49 2.163,50 2.803,51 3.163,52 0.603,53 1.545,54 3.584,55 1.246,56 0.062,57 0.466,58 4.809,59 2.469,60 9.266,61 2.839,62 0.179,63 0.746,64 9.498,65 4.358,66 16.499,67 5.188,68 0.24,69 0.943,70 13.687,71 5.301,72 28.513,73 6.511,74 0.442,75 0.947,76 13.683,77 4.435,78 55.285,79 5.475,80 0.347,81 0.747,82 12.828,83 4.152,84 43.681,85 4.806,86 0.344,87 0.537,88 10.796,89 3.812,90 39.758,91 4.839,92 0.183,93 0.36,94 8.828,95 2.976,96 25.378,97 4.03,98 0.119,99 0.163,100 5.001,101 1.473,102 17.384,103 2.067,104 5,105 26,106 0.328,107 0.735,108 0.838,109 0.873,110 0.873,111 0.873,112 2.857,113 0.878,114 -3.82,115 -3.78,116 -3.59,121 44.4,123 2,127 1,144 3,145 2,146 2,148 1,149 1,165 1,166 1,167 1,176 4,179 1,180 5,185 2,187 5,189 2,192 3,197 1,200 2,203 1,206 4,208 2,209 2,211 3,214 3,216 3,219 1,224 1,227 3,229 1,232 1,239 3,251 1,281 178,282 10.914,283 10.914,284 10.914,285 10.914,286 10.914,287 9.529,288 10.503,289 6.356,290 11.163,291 8.873,292 8.873,293 8.873,294 8.873,295 8.873,296 6.762,297 10.78,298 2.985,299 9.316,300 3.077,301 1.001,302 0.472,303 0.296,304 0.296,305 0.296,306 3.532,311 1,312 1,313 202,314 1.732,318 77.413,322 85.609,325 0.906,326 21.741,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 35.5,338 92,339 4.687,340 3.44,341 6.905,342 4.231,343 3.261,344 4.64,345 0.86,346 11.505,347 3.162,348 4.006,349 3.017,350 6.153,351 3.608,352 2.653,353 3.527,355 8.884,356 2.534,357 3.525,358 2.348,359 5.299,360 3.05,361 2.11,362 2.952,364 6.425,365 1.972,366 3.163,367 2.258,368 4.845,369 2.752,370 1.824,371 2.398,373 5.031,374 1.682,375 2.743,376 1.611,377 4.043,378 2.381,379 1.414,380 1.837,382 3.316,383 1.359,384 2.488,385 1.573,386 3.666,387 2.295,388 1.326,389 1.488,391 2.993,392 1.276,393 2.027,394 1.197,395 3.472,396 1.818,397 0.896,398 0.985,400 2.108,401 0.817,402 1.342,403 0.35,404 2.938,405 0.933,411 1.074,412 0.166,413 2.548,414 0.68,415 -0.222,416 -0.272,418 -0.539,419 -0.193,420 0.832,421 -0.238,422 2.337,423 0.434,424 -0.504,425 -0.633,427 -1.221,428 -0.467,429 0.27,430 -0.603,431 2,432 0.09,433 -0.856,434 -0.94,436 -2.048,437 -0.802,438 0.152,439 -0.914,440 1.834,441 -0.196,442 -1.137,443 -1.458,445 -3.024,446 -1.062,447 -0.102,448 -1.111,449 1.518,450 -0.513,451 -1.414,452 -1.797,454 -3.592,455 -1.272,456 -0.257,457 -1.381,458 1.315,459 -0.574,460 -1.529,461 -1.942,463 -4.536,464 -1.467,465 -0.5,466 -1.657,467 1.249,468 -0.863,469 -1.822,470 -2.203,472 -5.246,473 -1.692,474 7.419,475 0.464,476 0.401,477 0.025,478 21.5,479 1.344,480 11,481 0.688,482 10.5,483 0.656,484 10.325,485 0.645,486 17.181,487 0.636,488 13.004,489 0.813,490 4.162,491 0.26,492 3.609,493 0.226,494 0.092,496 0.404,499 1,501 0.709,502 0.933,503 0.69,504 0.943,505 0.645,506 0.833,507 0.753,508 0.982,509 0.732,510 0.993,511 0.571,512 0.901,513 0.955,514 1.161,515 0.789,516 1.021,517 0.867,518 0.898,519 1.058,520 1.021,521 1.058,522 1.021,523 0.987,524 1.031,525 1.499,526 1.042,527 1.422,528 1.026,529 1.478,530 1.143,531 0.934,532 0.975,533 1.223,534 1.137,535 1.152,536 1.236,537 0.957,538 0.92,539 1.076,540 0.989,541 1.157,542 1.063,543 1.125,544 0.794,545 1.13,546 0.781,547 1.512,548 0.918,549 2.5,551 2,552 1.625,553 1.311,554 0.41,555 0.1,556 0.028,559 1798,560 5213,561 2.135,562 40.7,563 2,564 5,567 2,569 2,572 1.559,573 2,574 2.577,575 0.451,579 1,582 45.309,583 1.678,584 3.754,585 4.282,586 4.459,587 4.459,588 4.459,589 1.924,590 3.25,591 3.979,592 2.59,593 310.851,594 6.732,595 2591.95,597 1,599 1,600 128.382,601 1.406,602 3.933,603 0.139,605 0.077,606 0.058,607 0.057,608 0.029,609 0.013,610 0.009,613 0.382,614 1,615 1,616 0.625,617 61.746,618 -0.075,619 0.022,620 0.025,621 0.051,622 -0.078,623 0.073,624 0.014,625 -0.087,626 0.08,627 0.001,628 0.031,629 0.039,630 -0.066,631 -0.22,632 0.124,633 -0.057,634 -0.028,635 0.051,636 0.065,637 0.037,638 -0.097,639 -0.128,640 0.136,641 -0.161,642 -0.317,643 0.007,644 -0.42,645 -0.104,646 -0.284,647 -0.235,648 0.12,649 -0.009,650 -0.179,651 -0.152,652 -0.02,653 -0.224,654 -0.022,655 -0.044,656 0.064,657 0.023,658 -0.076,659 0.053,660 -0.055,661 0.151,662 0.135,663 0.229,664 -0.14,665 0.24,666 1.99,667 5.656,668 0.875,669 7.234,670 1.017,671 1.134,672 2.586,673 6.687,674 0.674,675 2.944,676 3.296,677 3.638,678 3.951,679 4.19,680 4.234,681 4.29,682 4.344,683 4.344,684 4.025,685 3.567,686 0.658,687 218.25,688 2.944,689 4.489,690 5.371,691 6.275,692 7.172,693 8.084,694 8.986,695 9.899,696 10.803,697 11.717,698 7.4,702 1,708 1,714 2,715 3,716 1,720 4,722 11,733 1,739 1,740 1,741 27,743 11,744 1,745 18,747 29,748 12,749 9,750 3,751 3,756 3,757 6,767 2,770 2,772 9,773 3,790 1,791 1,793 11,794 4,795 2,796 4,802 2,808 0.333,809 1,822 1,829 3,833 2,859 1,866 1,868 16,869 1,876 3,878 1,892 1,893 3.7,898 1,901 8,902 4.843,903 3.472,904 1.67,907 2.419,908 1.372,909 1.044,910 2.128,911 8.925,912 3.199,913 3.882,914 4.567,915 5.224,916 5.821,917 6.17,918 6.508,919 6.843,920 7.131,921 6.914,922 0.75,923 28,924 5.939,926 2.641,927 0.026,929 7.938,931 11.184,933 9.467,936 2.438,937 39,938 0.002,941 105.94,942 62.685,943 49.683,945 11,946 14.96,948 62.685,949 116.94,950 64.643,952 9.661,953 61.326,954 16.786,955 30.78,956 19.775,957 105.94,959 105.94,960 112.368,961 25.96,964 97.358,965 34.542,968 11.806,969 83.777,970 16.786,972 120.9,973 60.683,974 62.685,977 105.94,978 34.256,979 28.429,981 75.643,982 105.94,983 75.643,984 62.685,986 0.588,987 0.365,988 0.212,989 0.113,990 15,991 6,994 2,995 1.286,996 2.78,997 117.95,998 0.286,999 14,1000 64,1005 9.701,1006 3.511,1007 1.424,1008 0.963,1009 75.643,1010 4.767,1011 4.295,1015 1.541,1017 32.897,1018 244.268,1019 23.5,1031 27.462,1032 30.622,1034 0.353,1035 0.79,1036 0.901,1037 0.938,1038 0.938,1039 0.938,1040 4.44,1042 5.371,1043 2.108,1044 3.97,1045 4.564,1046 0.908,1047 6.244,1048 3.878,1049 5.674,1050 -0.222,1051 6.967,1053 3.611,1054 4.559,1056 7.273,1057 3.476,1058 7.015,1059 -0.504,1060 8.67,1061 -0.539,1062 5.609,1063 6.913,1064 0.739,1065 10.439,1066 5.449,1067 8.4,1068 -0.856,1069 10.437,1070 -1.221,1071 6.089,1072 7.751,1074 12.303,1075 5.894,1076 9.82,1077 -1.137,1078 12.243,1079 -2.048,1080 7.572,1081 9.601,1082 0.593,1083 14.993,1084 7.354,1085 11.266,1086 -1.414,1087 14.077,1088 -3.024,1089 8.441,1090 10.821,1092 17.19,1093 8.193,1094 12.731,1095 -1.529,1096 15.93,1097 -3.592,1098 9.724,1099 12.476,1100 0.469,1101 19.717,1102 9.452,1103 3.261,1104 -1.822,1105 17.797,1106 -4.536,1107 10.768,1108 13.87,1110 22.052,1111 10.466,1112 2.653,1113 11.505,1114 19.676,1115 -5.246,1116 11.977,1117 15.448,1118 0.366,1119 24.522,1120 11.649,1121 2.11,1122 8.884,1123 21.563,1124 4.64,1125 13.095,1126 16.92,1128 26.916,1129 12.738,1130 1.824,1131 6.425,1132 23.457,1133 3.527,1134 14.28,1135 18.47,1136 0.283,1137 29.366,1138 13.895,1139 1.414,1140 5.031,1141 25.356,1142 2.952,1143 15.431,1144 19.976,1146 31.785,1147 15.017,1148 1.326,1149 3.316,1150 27.26,1151 2.398,1152 16.608,1153 21.515,1154 0.217,1155 34.229,1156 16.166,1157 0.896,1158 2.993,1159 29.168,1160 1.837,1161 17.774,1162 23.036,1164 36.66,1165 17.302,1166 1775,1167 3104,1168 12.137,1169 18.21,1170 27.077,1171 27.755,1172 28.423,1173 27.048,1174 26.969,1175 35.654,1176 1.72,1177 80.524,1178 25.604,1179 5.632,1180 5.44,1181 6.587,1182 5.319,1183 5.261,1184 7.64,1185 1.72,1186 19.059,1187 5.162,1188 6.024,1189 1.504,1190 1.542,1191 1.579,1192 1.503,1193 1.498,1194 1.981,1195 0.096,1196 4.474,1197 1.422,1198 4.098,1199 4.122,1200 4.073,1201 4.013,1202 8.201,1203 4.024,1204 3.7,1205 3.739,1206 3.605,1207 3.578,1208 5.145,1209 3.577,1210 3.291,1211 3.362,1212 3.158,1213 3.146,1214 4.814,1215 3.139,1216 3.098,1217 3.16,1218 3.044,1219 2.879,1220 4.522,1221 2.91,1222 2.844,1223 2.924,1224 2.693,1225 2.615,1226 4.017,1227 2.608,1228 2.74,1229 2.855,1230 2.529,1231 2.459,1232 3.735,1233 2.475,1234 2.584,1235 2.625,1236 2.47,1237 2.343,1238 3.425,1239 2.363,1240 2.032,1241 2.185,1242 1.786,1243 1.693,1244 3.212,1245 1.679,1246 0.26,1247 0.191,1248 0.384,1249 0.235,1250 0.181,1251 4.687,1252 0.258,1253 3.44,1254 0.048,1255 6.905,1256 0.639,1257 4.231,1258 0.176,1259 3.261,1260 4.64,1261 0.86,1262 11.505,1263 3.162,1264 2.042,1265 2.022,1266 2.105,1267 2.146,1268 1.322,1269 2.134,1270 1.685,1271 1.645,1272 1.883,1273 1.84,1274 1.106,1275 1.855,1276 1.278,1277 1.219,1278 1.49,1279 1.483,1280 0.635,1281 1.492,1282 0.991,1283 0.94,1284 1.214,1285 1.264,1286 0.362,1287 1.234,1288 0.82,1289 0.739,1290 1.15,1291 1.126,1292 0.132,1293 1.158,1294 0.647,1295 0.551,1296 0.979,1297 0.998,1299 0.99,1300 0.553,1301 0.485,1302 0.809,1303 0.754,1305 0.771,1306 0.058,1308 0.573,1309 0.441,1311 0.505,1312 3.611,1314 4.949,1316 6.521,1318 8.203,1320 9.941,1324 13.656,1326 5.981,1328 2.359,1330 5.439,1340 17.775,1341 45.309,1342 101.362,1343 115.627,1344 120.382,1345 120.382,1346 120.382,1347 24.291,1348 6.506,1349 48.14,1350 48.14,1351 18,1352 12.231,1353 3.585,1354 2.7,1355 21.59,1356 37,1357 24,1358 0.333,1359 107.844,1360 180.94,1361 254.9,1362 4762,1363 3.7,1364 11.121,1365 0.695,1366 0.542,1367 10.251,1368 8.664,1369 7.771,1370 0.432,1371 0.293,1372 5.182,1373 7.436,1374 5.113,1375 4.183,1376 7.36,1377 5.265,1378 7.049,1379 0.271,1380 0.15,1381 6.512,1382 3.895,1383 6.292,1384 0.17,1385 0.078,1386 5.892,1387 2.876,1388 5.67,1389 0.111,1390 0.041,1391 5.149,1392 2.094,1393 4.472,1394 0.069,1395 0.022,1396 4.302,1397 1.457,1398 0.478,1399 49.096,1400 0.287,1401 15.465,1402 1.058,1403 88,1404 308.804,1405 98.565,1406 271.208,1407 368.72,1408 254,1409 107,1410 272.45,1411 117.644,1412 268.26,1413 400.6,1414 254,1415 6.475}
{0 CHEMBL133580,1 1.64,2 10.897,3 6.967,4 48.545,5 119.289,6 7.945,7 0.548,8 4.059,9 4.18,10 3.724,11 3.661,12 5.121,13 3.595,14 4.586,15 4.769,16 4.082,17 4.02,18 5.609,19 3.923,20 4.802,21 5.025,22 4.147,23 4.119,24 5.813,25 3.992,26 4.82,27 5.047,28 4.113,29 4.038,30 5.903,31 3.939,32 4.78,33 5.013,34 4.099,35 4.051,36 5.797,37 3.94,38 4.752,39 4.955,40 4.153,41 4.075,42 5.851,43 3.953,44 4.695,45 4.879,46 4.062,47 4.069,48 5.77,49 3.953,50 4.75,51 4.951,52 4.017,53 4.106,54 5.738,55 3.973,56 0.036,57 0.789,58 10.932,59 5.107,60 6.705,61 6.64,62 0.293,63 1.282,64 24.132,65 8.689,66 20.765,67 11.494,68 0.253,69 1.468,70 33.842,71 11.503,72 36.105,73 14.876,74 0.42,75 1.509,76 35.009,77 10.223,78 52.564,79 13.036,80 0.298,81 1.496,82 31.573,83 9.984,84 38.99,85 12.564,86 0.408,87 1.468,88 35.856,89 10.568,90 49.486,91 12.135,92 0.342,93 1.38,94 32.005,95 10.093,96 40.917,97 11.692,98 0.264,99 1.387,100 30.969,101 10.456,102 35.661,103 13.298,104 23,105 41,106 0.272,107 0.558,108 0.718,109 0.824,110 0.845,111 0.845,112 3.408,113 1.079,114 -7.11,115 -6.91,116 -6.39,121 40.7,122 1,123 4,126 1,127 1,144 9,145 1,146 2,151 1,161 1,164 1,168 1,176 12,179 5,180 6,187 14,191 2,192 8,200 9,205 2,206 15,214 4,219 13,227 3,232 17,239 6,244 13,251 7,256 6,264 15,269 5,277 18,281 1624,282 19.75,283 19.75,284 19.75,285 19.75,286 19.75,287 17.649,288 13.699,289 12.151,290 20.341,291 15.266,292 15.266,293 15.266,294 15.266,295 15.266,296 12.061,297 14.466,298 5.78,299 16.275,300 4.115,301 2.39,302 1.422,303 0.783,304 0.658,305 0.658,306 4.089,308 1,312 1,313 660,314 3.873,317 90.382,318 212.765,325 1.639,326 22.803,329 0.75,330 0.83,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.78,337 61.333,338 316,339 4.515,340 4.447,341 6.712,342 4.114,343 3.183,344 4.189,345 2.95,346 10.804,347 2.966,348 4.166,349 3.753,350 6.221,351 3.814,352 2.857,353 3.678,354 1.678,355 9.223,356 2.735,357 3.963,358 3.008,359 5.919,360 3.525,361 2.588,362 3.515,363 0.527,364 8.198,365 2.425,366 3.618,367 2.886,368 5.115,369 3.146,370 2.24,371 2.991,373 6.09,374 1.996,375 3.38,376 2.675,377 5.012,378 2.954,379 2.032,380 2.626,382 5.702,383 1.824,384 2.93,385 2.578,386 4.301,387 2.781,388 1.799,389 2.064,391 3.976,392 1.753,393 2.843,394 1.782,395 4.219,396 2.478,397 1.529,398 1.912,400 3.565,401 1.437,402 2.706,403 1.721,404 3.778,405 2.31,406 1.376,407 1.741,409 3.418,410 1.253,411 2.5,412 1.652,413 3.603,414 2.097,415 1.149,416 1.5,418 2.594,419 1.069,420 2.5,421 1.276,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.404,430 1.031,431 3.257,432 2,433 1,434 1.355,436 2.228,437 1,438 2.231,439 1,440 3.247,441 1.922,442 0.968,443 1.204,445 2.136,446 0.916,447 1.855,448 1,449 3.089,450 1.411,451 0.496,452 0.531,454 0.91,455 0.443,456 1.568,457 0.893,458 2.658,459 1.389,460 0.369,461 0.502,463 0.842,464 0.369,465 1.121,466 0.396,467 2.524,468 0.717,469 -0.17,470 -0.195,472 -0.337,473 -0.124,474 14.481,475 0.499,476 0.575,477 0.02,478 36.5,479 1.259,480 18.5,481 0.638,482 18,483 0.621,484 26.761,485 0.923,486 31.119,487 0.576,488 26.258,489 0.905,490 6.632,491 0.229,492 7.464,493 0.257,494 0.141,496 0.262,501 0.612,502 1.288,503 0.672,504 0.972,505 0.559,506 0.965,507 0.527,508 1.147,509 0.828,510 1.048,511 0.523,512 0.969,513 0.794,514 1.159,515 0.901,516 1.029,517 0.72,518 0.922,519 1.383,520 1.139,521 0.962,522 0.978,523 1.417,524 0.889,525 1.36,526 1.045,527 0.86,528 0.838,529 1.226,530 0.794,531 1.554,532 1.106,533 1.29,534 1.168,535 1.54,536 0.927,537 1.593,538 1.097,539 1.323,540 1.198,541 1.702,542 1.013,543 1.19,544 1.05,545 0.893,546 0.998,547 1.329,548 1.097,549 4.5,550 0.124,551 3.111,552 1.757,553 1.553,554 1.126,555 0.599,556 0.5,557 0.323,558 0.192,559 10182,560 26788,561 2.033,562 46.3,563 9,564 14,569 2,572 1.726,573 1.912,574 3.429,575 -0.751,582 88.56,583 1.64,584 3.365,585 4.333,586 4.972,587 5.097,588 5.097,589 2.902,590 4.418,591 4.819,592 3.606,593 1464.08,594 8.438,595 20309.9,600 310.764,601 1.358,602 4.792,603 0.145,604 0.005,605 0.076,606 0.042,607 0.039,608 0.028,609 0.015,610 0.013,611 0.009,612 0.006,613 0.377,614 0.17,615 0.88,616 1.567,617 147.465,618 0.074,619 -0.128,620 0.052,621 -0.027,622 -0.01,623 -0.019,624 0.319,625 -0.031,626 0.065,627 -0.051,628 0.13,629 -0.014,630 0.153,631 -0.146,632 0.107,633 -0.008,634 0.18,635 0.064,636 -0.015,637 -0.068,638 0.023,639 -0.015,640 0.022,641 0.029,642 -0.159,643 0.064,644 0.068,645 0.148,646 -0.044,647 0.127,648 -0.151,649 0.062,650 -0.089,652 -0.044,653 0.014,654 -0.254,655 0.055,656 -0.204,657 -0.063,658 -0.183,659 -0.069,660 -0.191,661 -0.007,662 -0.077,663 -0.055,664 -0.19,665 -0.149,666 1.903,667 6.152,668 0.586,669 32.345,670 0.997,671 1.123,672 5.88,673 34.576,674 0.692,675 3.466,676 3.738,677 3.989,678 4.205,679 4.407,680 4.489,681 4.585,682 4.691,683 4.796,684 4.787,685 6.749,686 0.641,687 429.03,688 3.466,689 4.977,690 5.808,691 6.663,692 7.521,693 8.391,694 9.263,695 10.142,696 11.022,697 11.907,698 7.4,705 1,706 1,708 2,715 9,716 2,720 5,721 1,722 17,740 1,741 54,743 18,744 2,745 31,747 56,748 22,749 14,750 3,751 9,752 1,756 3,757 3,758 1,761 1,763 1,770 4,772 15,773 7,777 1,782 1,786 1,793 25,794 4,796 7,797 2,802 4,808 1,809 1,828 1,829 2,859 3,860 1,862 1,864 2,865 1,868 29,876 5,879 1,881 1,890 1,892 1,893 1.9,896 1,901 15.167,902 10.276,903 6.639,904 3.522,907 2.702,908 1.377,909 0.962,910 8.019,911 9.864,912 3.726,913 4.266,914 4.827,915 5.366,916 5.832,917 6.069,918 6.401,919 6.757,920 7.123,921 7.312,922 1,923 42,924 10.726,926 4.399,927 0.026,929 7.653,931 20.687,933 16.421,936 2.153,937 62.444,941 294.278,942 162.505,943 38.349,944 39.149,945 25.145,947 32.22,948 130.285,949 358.571,950 38.349,951 17.222,952 14.162,953 85.286,954 58.593,955 14.24,956 4.276,957 326.497,958 39.149,959 294.278,960 168.635,961 25.145,962 71.368,964 273.063,965 48.687,968 25.457,969 107.401,970 72.597,971 32.22,972 294.278,973 63.494,974 201.654,977 294.278,978 59.997,979 107.409,981 97.742,982 294.278,983 63.494,984 201.654,986 0.563,987 0.325,988 0.169,989 0.093,990 17,991 8,992 0.143,993 8,995 1,996 4.055,997 243.439,999 17,1000 132.881,1001 1,1005 21.728,1006 10.702,1007 5.77,1009 61.718,1010 16.852,1011 9.171,1015 3.418,1016 1.404,1018 559.425,1019 40.5,1024 13.152,1028 -0.236,1031 53.854,1032 60.634,1034 0.285,1035 0.585,1036 0.753,1037 0.864,1038 0.886,1039 0.886,1040 4.929,1041 1.376,1042 5.765,1043 3.565,1044 4.419,1045 4.952,1046 3.158,1047 6.544,1048 4.296,1049 6.106,1050 1.149,1051 7.305,1052 3.418,1053 3.892,1054 4.605,1055 1.305,1056 7.405,1057 3.641,1058 7.388,1059 1,1060 8.952,1061 2.594,1062 5.969,1063 7.082,1064 5.094,1065 10.533,1066 5.723,1067 8.713,1068 1,1069 10.667,1070 2.275,1071 6.33,1072 7.611,1073 2.419,1074 12.266,1075 5.966,1076 10.074,1077 0.968,1078 12.425,1079 2.228,1080 7.832,1081 9.514,1082 7.204,1083 14.899,1084 7.461,1085 11.462,1086 0.496,1087 14.213,1088 2.136,1089 8.603,1090 10.454,1091 3.517,1092 16.976,1093 8.128,1094 12.869,1095 0.369,1096 16.021,1097 0.91,1098 9.876,1099 12.105,1100 9.354,1101 19.44,1102 9.377,1103 3.183,1104 -0.17,1105 17.846,1106 0.842,1107 10.841,1108 13.258,1109 4.595,1110 21.667,1111 10.25,1112 2.857,1113 10.804,1114 19.682,1115 -0.337,1116 12.023,1117 14.787,1118 11.513,1119 24.068,1120 11.391,1121 2.588,1122 9.223,1123 21.526,1124 4.189,1125 13.079,1126 16.057,1127 5.656,1128 26.365,1129 12.363,1130 2.24,1131 8.198,1132 23.379,1133 3.678,1134 14.228,1135 17.526,1136 13.675,1137 28.743,1138 13.459,1139 2.032,1140 6.09,1141 25.236,1142 3.515,1143 15.327,1144 18.861,1145 6.706,1146 31.076,1147 14.479,1148 1.799,1149 5.702,1150 27.099,1151 2.991,1152 16.466,1153 20.302,1154 15.839,1155 33.448,1156 15.557,1157 1.529,1158 3.976,1159 28.966,1160 2.626,1161 17.587,1162 21.675,1163 7.75,1164 35.799,1165 16.603,1166 10086,1167 16634,1168 20.572,1169 37.358,1170 45.778,1171 49.106,1172 47.023,1173 45.507,1174 45.171,1175 58.614,1176 10.31,1177 123.922,1178 42.371,1179 5.428,1180 6.447,1181 6.664,1182 5.244,1183 5.183,1184 7.189,1185 5.9,1186 18.213,1187 4.966,1188 14.165,1189 1.477,1190 1.584,1191 1.517,1192 1.468,1193 1.457,1194 1.891,1195 0.333,1196 3.997,1197 1.367,1198 4.021,1199 4.065,1200 4.109,1201 3.907,1202 7.429,1203 3.909,1204 3.895,1205 3.928,1206 3.95,1207 3.826,1208 5.043,1209 3.822,1210 3.763,1211 3.812,1212 3.831,1213 3.669,1214 4.871,1215 3.636,1216 3.715,1217 3.773,1218 3.608,1219 3.54,1220 4.755,1221 3.548,1222 3.424,1223 3.498,1224 3.427,1225 3.282,1226 4.249,1227 3.247,1228 3.349,1229 3.427,1230 3.359,1231 3.13,1232 4.194,1233 3.146,1234 2.987,1235 3.076,1236 3.135,1237 2.897,1238 4.034,1239 2.839,1240 2.934,1241 2.976,1242 2.935,1243 2.745,1244 3.914,1245 2.725,1246 0.146,1247 0.143,1248 0.217,1249 0.133,1250 0.103,1251 4.515,1252 0.135,1253 4.447,1254 0.095,1255 6.712,1256 0.349,1257 4.114,1258 0.096,1259 3.183,1260 4.189,1261 2.95,1262 10.804,1263 2.966,1264 1.898,1265 1.872,1266 2.017,1267 2.015,1268 1.355,1269 2.013,1270 1.891,1271 1.863,1272 2.014,1273 1.963,1274 1.085,1275 1.975,1276 1.759,1277 1.699,1278 1.975,1279 1.916,1280 1.078,1281 1.957,1282 1.521,1283 1.471,1284 1.757,1285 1.763,1286 1.04,1287 1.741,1288 1.425,1289 1.355,1290 1.652,1291 1.64,1292 0.706,1293 1.678,1294 1.202,1295 1.153,1296 1.403,1297 1.454,1298 0.646,1299 1.462,1300 1.157,1301 1.083,1302 1.295,1303 1.368,1304 0.381,1305 1.355,1306 0.974,1307 0.88,1308 1.188,1309 1.228,1310 0.264,1311 1.268,1312 4.143,1314 5.425,1315 2.398,1316 6.901,1317 4.727,1318 8.465,1319 6.843,1320 10.08,1322 3.942,1323 5.995,1328 5.589,1331 1.573,1333 1.585,1340 34.61,1341 88.56,1342 181.705,1343 233.97,1344 268.499,1345 275.254,1346 275.254,1347 54.298,1348 7.162,1349 51.02,1350 76.32,1351 17,1352 12.441,1353 4.248,1354 3.392,1355 52.082,1356 110,1357 150,1358 0.22,1359 223.912,1360 382.13,1361 538.106,1362 11202,1363 1.9,1364 20.64,1365 0.712,1366 0.631,1367 21.493,1368 18.287,1369 14.097,1370 0.455,1371 0.36,1372 9.81,1373 12.959,1374 9.403,1375 7.909,1376 14.839,1377 11.151,1378 11.995,1379 0.293,1380 0.201,1381 12.986,1382 8.221,1383 10.09,1384 0.19,1385 0.109,1386 11.025,1387 5.788,1388 7.809,1389 0.118,1390 0.059,1391 8.696,1392 3.883,1393 6.16,1394 0.076,1395 0.034,1396 7.109,1397 2.738,1398 0.342,1399 94.849,1400 0.22,1401 27.615,1402 0.616,1403 144,1404 407.38,1405 194.676,1406 449.533,1407 608.33,1408 420,1409 166,1410 418.413,1411 207.976,1412 445.213,1413 653.29,1414 418,1415 4.301}
{0 CHEMBL133897,1 1.606,2 10.609,3 4.199,4 17.628,5 83.338,6 8.009,7 0.48,8 3.788,9 3.878,10 3.419,11 3.279,12 4.968,13 3.298,14 4.287,15 4.416,16 3.75,17 3.595,18 5.535,19 3.598,20 4.41,21 4.587,22 3.692,23 3.625,24 5.542,25 3.607,26 4.382,27 4.563,28 3.623,29 3.534,30 5.558,31 3.521,32 4.355,33 4.537,34 3.566,35 3.488,36 5.512,37 3.49,38 4.226,39 4.376,40 3.498,41 3.453,42 5.489,43 3.439,44 4.184,45 4.362,46 3.316,47 3.45,48 5.284,49 3.376,50 4.183,51 4.395,52 3.189,53 3.372,54 5.182,55 3.28,56 0.093,57 0.539,58 6.961,59 3.591,60 6.362,61 4.073,62 0.565,63 0.815,64 14.034,65 5.504,66 32.082,67 6.654,68 0.402,69 0.899,70 17.189,71 6.386,72 30.456,73 7.97,74 0.477,75 0.863,76 17.112,77 5.862,78 36.599,79 7.308,80 0.504,81 0.816,82 17.332,83 5.483,84 40.434,85 6.451,86 0.516,87 0.732,88 14.11,89 5.038,90 41.012,91 5.826,92 0.36,93 0.72,94 13.543,95 5.405,96 35.007,97 6.749,98 0.272,99 0.717,100 14.209,101 5.38,102 26.133,103 7.057,104 7,105 33,106 0.286,107 0.582,108 0.725,109 0.837,110 0.865,111 0.865,112 3.188,113 0.871,114 -4.65,115 -4.57,116 -4.3,121 43.6,122 1,127 2,144 9,145 1,146 2,161 2,168 1,176 8,179 6,180 6,187 9,191 2,192 6,200 4,205 2,206 11,214 2,218 1,219 7,227 5,231 2,232 5,239 7,243 1,244 4,251 8,256 6,264 4,269 9,277 2,281 742,282 15.87,283 15.87,284 15.87,285 15.87,286 15.87,287 14.057,288 19.146,289 9.754,290 16.283,291 12.353,292 12.353,293 12.353,294 12.353,295 12.353,296 9.61,297 26.222,298 4.607,299 12.906,300 3.679,301 2.018,302 1.212,303 0.583,304 0.43,305 0.43,306 3.872,311 1,312 1,313 520,314 2.646,317 64.321,318 156.834,325 1.713,326 22.115,328 1,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 51,338 244,339 4.339,340 3.881,341 6.507,342 4.029,343 3.079,344 3.807,345 2.319,346 10.204,347 2.914,348 3.964,349 3.067,350 5.534,351 3.573,352 2.615,353 3.45,354 1.747,355 7.495,356 2.514,357 3.869,358 3.014,359 5.347,360 3.453,361 2.468,362 3.34,363 1.151,364 6.965,365 2.416,366 3.457,367 2.724,368 5.176,369 3.105,370 2.159,371 2.662,372 0.333,373 6.396,374 2.033,375 3.191,376 2.431,377 4.768,378 2.738,379 1.772,380 2.332,381 0.129,382 4.953,383 1.689,384 2.916,385 1.726,386 3.902,387 2.483,388 1.493,389 2.083,391 3.174,392 1.476,393 2.693,394 1.647,395 3.633,396 2.23,397 1.245,398 1.77,400 2.91,401 1.22,402 2.5,403 1.407,404 3.477,405 2,406 1.042,407 1.5,409 2.368,410 1,411 2.254,412 1.052,413 3.247,414 1.971,415 1,416 1.177,418 2.136,419 0.955,420 1.971,421 1,422 3.124,423 1.802,424 0.834,425 0.928,427 1.685,428 0.802,429 1.82,430 0.956,431 3.077,432 1.505,433 0.599,434 0.71,436 1.398,437 0.536,438 1.042,439 0.803,440 2.532,441 0.594,442 -0.398,443 -0.422,445 -0.665,446 -0.381,447 0.913,448 -0.001,449 2.297,450 0.566,451 -0.405,452 -0.508,454 -0.969,455 -0.396,456 0.715,457 -0.093,458 2,459 0.457,460 -0.531,461 -0.719,463 -1.361,464 -0.523,465 0.569,466 -0.499,467 1.736,468 0.127,469 -0.852,470 -1.156,472 -1.892,473 -0.822,474 10.633,475 0.462,476 0.414,477 0.018,478 31,479 1.348,480 16,481 0.696,482 15,483 0.652,484 14.901,485 0.648,486 24.767,487 0.635,488 21.822,489 0.949,490 6.536,491 0.284,492 4.723,493 0.205,494 0.078,496 0.273,501 0.783,502 1.266,503 0.69,504 1.185,505 0.644,506 0.968,507 0.733,508 1.054,509 0.825,510 0.975,511 0.578,512 0.943,513 0.972,514 1.091,515 0.884,516 1.032,517 0.797,518 0.957,519 1.064,520 1.095,521 0.967,522 1.027,523 0.809,524 0.975,525 1.491,526 0.828,527 1.077,528 0.79,529 1.384,530 0.812,531 1.209,532 0.908,533 1.14,534 0.938,535 1.466,536 0.995,537 0.856,538 1.058,539 1.119,540 1.089,541 1.406,542 1.158,543 0.836,544 1.153,545 1.084,546 1.144,547 0.989,548 1.171,549 4,550 0.065,551 1.778,552 1.257,553 1.028,554 0.604,555 0.24,556 0.227,557 0.16,558 0.109,559 5936,560 17348,561 2.093,562 41,564 13,569 3,572 1.655,573 2,574 3.383,575 -0.729,577 1,582 62.644,583 1.606,584 3.267,585 4.073,586 4.702,587 4.856,588 4.856,589 2.914,590 4.056,591 4.492,592 3.517,593 889.79,594 7.725,595 10328.9,597 1,598 1,599 1,600 206.131,601 1.214,602 4.473,603 0.16,604 0.005,605 0.054,606 0.041,607 0.037,608 0.022,609 0.01,610 0.011,611 0.009,612 0.007,613 0.355,614 0.17,615 1,616 0.896,617 108.886,619 -0.142,620 0.074,621 -0.155,622 -0.068,623 -0.052,624 0.343,625 0.001,626 0.074,627 0.001,628 0.183,629 -0.036,630 -0.001,631 -0.092,632 0.066,633 -0.058,634 0.041,635 0.002,636 0.008,637 -0.09,638 0.012,639 -0.082,640 0.097,641 -0.04,642 -0.242,643 0.172,644 -0.062,645 0.138,646 -0.15,647 0.101,648 -0.024,649 0.111,650 -0.191,651 0.021,652 -0.046,653 -0.089,654 -0.017,655 -0.072,656 -0.203,657 -0.084,658 -0.219,659 -0.171,660 -0.083,661 -0.186,662 -0.133,663 -0.153,664 -0.132,665 -0.157,666 2.27,667 4.819,668 0.739,669 20.926,670 1.018,671 1.122,672 3.424,673 11.722,674 0.671,675 3.258,676 3.526,677 3.761,678 4.007,679 4.159,680 4.143,681 4.22,682 4.263,683 4.317,684 4.317,685 6.136,686 0.656,687 312.35,688 3.258,689 4.762,690 5.587,691 6.441,692 7.286,693 8.148,694 9.001,695 9.867,696 10.726,697 11.594,698 5.1,705 1,707 1,715 9,720 3,722 12,737 1,739 1,741 39,743 14,744 2,745 25,747 41,748 17,749 12,750 3,751 9,756 3,757 3,763 1,772 14,773 3,777 2,782 1,785 1,786 2,790 1,793 16,794 6,796 6,802 2,808 1,809 4,828 1,829 2,858 1,859 3,864 1,868 23,876 2,878 3,881 1,893 10.3,896 1,898 3,901 11.5,902 7.317,903 5.222,904 2.357,907 2.546,908 1.372,909 0.956,910 4.906,911 9.396,912 3.526,913 4.043,914 4.522,915 5.051,916 5.488,917 5.509,918 5.819,919 6.139,920 6.422,921 6.645,922 1,923 31,924 8.455,926 3.491,927 0.026,929 7.841,931 15.843,933 12.269,936 2.341,937 53.833,941 188.338,942 128.117,943 19.665,945 58.145,948 128.117,949 246.482,950 19.665,951 8.825,952 12.187,953 85.286,954 25.145,955 60.848,956 13.635,957 188.338,959 188.338,960 147.782,961 58.145,964 153.024,965 93.458,968 37.675,969 110.107,972 188.338,973 77.809,974 128.117,977 188.338,978 34.005,979 97.113,981 74.808,982 188.338,983 77.809,984 128.117,986 0.561,987 0.322,988 0.181,989 0.097,990 15,991 6,992 0.146,993 6,995 1,996 3.642,997 174.609,999 17,1000 98.042,1005 15.529,1006 7.266,1007 3.888,1009 77.809,1010 16.923,1015 2.254,1018 394.264,1019 33,1024 11.819,1027 3.989,1028 -0.651,1031 39.698,1032 43.741,1034 0.304,1035 0.618,1036 0.771,1037 0.89,1038 0.919,1039 0.919,1040 4.727,1041 1.042,1042 5.533,1043 2.91,1044 4.205,1045 4.727,1046 2.904,1047 6.282,1048 4.121,1049 5.893,1050 1,1051 7.045,1052 2.368,1053 3.611,1054 4.27,1055 2.297,1056 7.034,1057 3.486,1058 7.165,1059 0.834,1060 8.657,1061 2.136,1062 5.727,1063 6.782,1064 4.04,1065 10.133,1066 5.553,1067 8.47,1068 0.599,1069 10.33,1070 1.685,1071 5.994,1072 7.106,1073 4.116,1074 11.769,1075 5.758,1076 9.806,1077 -0.398,1078 12.044,1079 1.398,1080 7.532,1081 9.084,1082 5.433,1083 14.355,1084 7.262,1085 11.163,1086 -0.405,1087 13.787,1088 -0.665,1089 8.219,1090 9.793,1091 5.841,1092 16.373,1093 7.878,1094 12.537,1095 -0.531,1096 15.553,1097 -0.969,1098 9.504,1099 11.509,1100 6.957,1101 18.785,1102 9.129,1103 3.079,1104 -0.852,1105 17.336,1106 -1.361,1107 10.404,1108 12.438,1109 7.542,1110 20.974,1111 9.955,1112 2.615,1113 10.204,1114 19.133,1115 -1.892,1116 11.58,1117 14.005,1118 8.547,1119 23.326,1120 11.092,1121 2.468,1122 7.495,1123 20.942,1124 3.807,1125 12.587,1126 15.069,1127 9.235,1128 25.589,1129 12.027,1130 2.159,1131 6.965,1132 22.76,1133 3.45,1134 13.719,1135 16.546,1136 10.176,1137 27.921,1138 13.114,1139 1.772,1140 6.396,1141 24.587,1142 3.34,1143 14.78,1144 17.697,1145 10.924,1146 30.217,1147 14.107,1148 1.493,1149 4.953,1150 26.422,1151 2.662,1152 15.897,1153 19.117,1154 11.826,1155 32.543,1156 15.173,1157 1.245,1158 3.174,1159 28.262,1160 2.332,1161 16.985,1162 20.325,1163 12.611,1164 34.853,1165 16.196,1166 5775,1167 10053,1168 16.989,1169 26.159,1170 36.908,1171 37.873,1172 37.502,1173 36.571,1174 36.613,1175 47.514,1176 11.359,1177 99.366,1178 35.111,1179 5.245,1180 5.881,1181 6.309,1182 5.103,1183 5.079,1184 6.807,1185 4.122,1186 17.007,1187 4.914,1188 8.702,1189 1.476,1190 1.515,1191 1.5,1192 1.463,1193 1.465,1194 1.901,1195 0.454,1196 3.975,1197 1.404,1198 3.97,1199 3.995,1200 3.923,1201 3.874,1202 7.434,1203 3.876,1204 3.876,1205 3.907,1206 3.812,1207 3.801,1208 4.986,1209 3.799,1210 3.662,1211 3.681,1212 3.623,1213 3.365,1214 4.845,1215 3.424,1216 3.426,1217 3.49,1218 3.257,1219 3.181,1220 4.709,1221 3.196,1222 3.217,1223 3.261,1224 3.088,1225 3.033,1226 4.309,1227 3.037,1228 2.854,1229 2.925,1230 2.736,1231 2.735,1232 4.207,1233 2.715,1234 2.836,1235 2.892,1236 2.689,1237 2.707,1238 3.738,1239 2.696,1240 2.812,1241 2.853,1242 2.687,1243 2.657,1244 3.674,1245 2.665,1246 0.174,1247 0.155,1248 0.26,1249 0.161,1250 0.123,1251 4.339,1252 0.152,1253 3.881,1254 0.093,1255 6.507,1256 0.408,1257 4.029,1258 0.117,1259 3.079,1260 3.807,1261 2.319,1262 10.204,1263 2.914,1264 1.917,1265 1.893,1266 2.04,1267 2.02,1268 1.14,1269 2.024,1270 1.86,1271 1.833,1272 1.968,1273 1.952,1274 1.057,1275 1.96,1276 1.49,1277 1.428,1278 1.804,1279 1.761,1280 0.939,1281 1.768,1282 1.207,1283 1.169,1284 1.451,1285 1.501,1286 0.608,1287 1.451,1288 1.118,1289 1.088,1290 1.224,1291 1.403,1292 0.257,1293 1.361,1294 1.022,1295 1.001,1296 1.181,1297 1.37,1298 0.218,1299 1.308,1300 0.886,1301 0.821,1302 1.115,1303 1.062,1304 0.146,1305 1.107,1306 0.83,1307 0.779,1308 1.076,1309 1.004,1310 0.127,1311 1.036,1312 3.932,1314 5.209,1315 2.398,1316 6.678,1317 4.727,1318 8.232,1319 6.804,1320 9.83,1322 1.789,1328 0.822,1330 15.75,1333 1.139,1340 25.59,1341 62.644,1342 127.421,1343 158.846,1344 183.376,1345 189.376,1346 189.376,1347 30.585,1348 6.85,1349 66.49,1350 66.49,1351 17,1352 12.141,1353 3.907,1354 3.17,1355 36.936,1356 84,1357 85,1358 0.215,1359 157.814,1360 279.82,1361 376.827,1362 8327,1364 16.071,1365 0.699,1366 0.549,1367 16.071,1368 12.638,1369 11.258,1370 0.45,1371 0.29,1372 7.117,1373 10.659,1374 6.979,1375 5.817,1376 11.258,1377 7.262,1378 9.641,1379 0.292,1380 0.144,1381 9.641,1382 4.75,1383 7.875,1384 0.188,1385 0.074,1386 7.875,1387 3.108,1388 6.646,1389 0.123,1390 0.038,1391 6.646,1392 2.052,1393 5.081,1394 0.081,1395 0.02,1396 5.081,1397 1.281,1398 0.34,1399 71.706,1400 0.243,1401 22.869,1402 0.581,1403 116,1404 418.232,1405 135.083,1406 387.388,1407 528.66,1408 364,1409 133,1410 394.689,1411 151.452,1412 389.457,1413 572.01,1414 365,1415 6.125}
{0 CHEMBL133906,1 1.272,2 5.75,3 3.276,4 10.733,5 66.779,6 6.635,7 0.611,8 3.551,9 3.686,10 3.038,11 3.165,12 4.536,13 3.107,14 4.102,15 4.291,16 3.412,17 3.589,18 4.98,19 3.503,20 4.371,21 4.595,22 3.522,23 3.73,24 5.248,25 3.627,26 4.402,27 4.642,28 3.395,29 3.664,30 5.342,31 3.538,32 4.351,33 4.621,34 3.001,35 3.514,36 5.216,37 3.338,38 4.17,39 4.48,40 2.511,41 3.258,42 4.776,43 3.003,44 3.854,45 4.186,46 1.858,47 2.844,48 4.355,49 2.526,50 3.43,51 3.837,52 0.733,53 2.125,54 3.75,55 1.691,56 0.04,57 0.46,58 7.339,59 3.065,60 6.183,61 4.364,62 0.06,63 0.762,64 13.069,65 5.532,66 7.778,67 7.92,68 0.106,69 0.979,70 17.549,71 6.753,72 13.166,73 9.917,74 0.162,75 1.008,76 18.41,77 6.547,78 23.11,79 9.775,80 0.174,81 0.922,82 17.801,83 5.896,84 25.51,85 8.969,86 0.084,87 0.686,88 14.637,89 6.049,90 13.062,91 8.799,92 0.052,93 0.473,94 10.648,95 4.545,96 8.277,97 6.592,98 0.042,99 0.276,100 7.132,101 2.851,102 6.401,103 4.234,104 5,105 26,106 0.24,107 0.615,108 0.769,109 0.832,110 0.856,111 0.856,112 2.857,113 0.99,114 -3.7,115 -3.67,116 -3.49,121 43.8,122 1,123 4,144 3,145 3,146 1,148 2,165 1,166 1,167 1,176 9,180 4,185 2,187 11,189 2,192 4,197 2,200 7,203 2,206 3,208 1,209 1,211 5,214 8,216 5,224 2,227 9,229 2,239 8,251 3,281 178,282 10.914,283 10.914,284 10.914,285 10.914,286 10.914,287 9.529,288 9.464,289 6.356,290 10.979,291 8.873,292 8.873,293 8.873,294 8.873,295 8.873,296 6.762,297 6.774,298 2.985,299 8.998,300 3.728,301 1.736,302 0.922,303 0.586,304 0.461,305 0.461,306 3.532,311 1,312 1,313 202,314 1.732,318 77.413,322 85.609,325 0.906,326 8.779,328 1,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 33,338 92,339 4.687,340 3.381,341 6.905,342 4.245,343 3.261,344 4.64,346 11.505,347 3.209,348 4.006,349 2.843,350 6.153,351 3.646,352 2.653,353 3.527,355 8.884,356 2.634,357 3.525,358 2.248,359 5.299,360 3.071,361 2.11,362 2.952,364 6.425,365 2.026,366 3.163,367 2.019,368 4.845,369 2.814,370 1.824,371 2.398,373 5.031,374 1.805,375 2.743,376 1.556,377 4.043,378 2.405,379 1.414,380 1.837,382 3.316,383 1.399,384 2.488,385 1.361,386 3.666,387 2.325,388 1.326,389 1.488,391 2.993,392 1.325,393 2.027,394 1.111,395 3.472,396 1.879,397 0.896,398 0.985,400 2.108,401 0.88,402 1.342,403 0.157,404 2.938,405 0.951,411 1.074,412 0.011,413 2.548,414 0.767,415 -0.222,416 -0.272,418 -0.539,419 -0.219,420 0.832,421 -0.429,422 2.337,423 0.479,424 -0.504,425 -0.633,427 -1.221,428 -0.494,429 0.27,430 -0.635,431 2,432 0.13,433 -0.856,434 -0.94,436 -2.048,437 -0.843,438 0.152,439 -1.013,440 1.834,441 -0.152,442 -1.137,443 -1.458,445 -3.024,446 -1.12,447 -0.102,448 -1.222,449 1.518,450 -0.419,451 -1.414,452 -1.797,454 -3.592,455 -1.407,456 -0.257,457 -1.39,458 1.315,459 -0.558,460 -1.529,461 -1.942,463 -4.536,464 -1.489,465 -0.5,466 -1.744,467 1.249,468 -0.843,469 -1.822,470 -2.203,472 -5.246,473 -1.758,474 7.8,475 0.488,476 0.401,477 0.025,478 20.25,479 1.266,480 10.5,481 0.656,482 9.75,483 0.609,484 12.287,485 0.768,486 16.8,487 0.525,488 11.042,489 0.69,490 3.582,491 0.224,492 4.188,493 0.262,494 0.115,496 0.385,501 1.067,502 1.038,503 0.914,504 0.94,505 1.183,506 0.92,507 0.664,508 1.11,509 0.82,510 0.992,511 0.564,512 0.931,513 1.017,514 1.16,515 0.908,516 1.005,517 0.881,518 0.958,519 1.358,520 1.21,521 1.123,522 1.113,523 1.214,524 1.103,525 2.083,526 0.955,527 1.411,528 1.047,529 2.137,530 1.156,531 0.627,532 0.885,533 1.033,534 1.051,535 0.816,536 1.068,537 0.303,538 0.943,539 0.993,540 1.12,541 0.418,542 1.109,543 0.187,544 0.582,545 0.613,546 0.691,547 0.25,548 0.685,549 2.5,551 2,552 1.625,553 1.311,554 0.41,555 0.1,556 0.028,559 1798,560 3367,561 2.135,562 50,563 9,564 3,567 2,568 2,572 1.559,573 2,574 2.577,575 0.329,577 1,578 1,579 1,582 40.697,583 1.272,584 3.264,585 4.078,586 4.414,587 4.539,588 4.539,589 1.924,590 3.25,591 3.979,592 2.59,593 310.851,594 6.732,595 2591.95,597 1,599 1,600 160,601 1.406,602 3.933,603 0.139,605 0.077,606 0.058,607 0.057,608 0.029,609 0.013,610 0.009,613 0.382,614 1,615 1,616 0.625,617 61.746,618 -0.088,619 0.108,620 0.042,621 0.102,622 -0.123,623 0.086,624 0.111,625 -0.068,626 0.13,627 0.04,628 0.131,629 0.078,630 0.051,631 -0.128,632 0.065,633 -0.024,634 0.051,635 0.013,636 0.017,637 -0.16,638 -0.132,639 -0.177,640 0.099,641 -0.168,642 -0.516,643 0.094,644 -0.41,645 -0.146,646 -0.511,647 -0.248,648 -0.042,649 -0.03,650 -0.089,651 -0.071,652 -0.094,653 -0.082,654 0.079,655 -0.152,656 -0.061,657 -0.135,658 0.029,659 -0.113,660 0.263,661 0.118,662 0.346,663 0.255,664 0.232,665 0.297,666 0.696,667 2.301,668 0.875,669 7.234,670 0.981,671 1.122,672 2.472,673 6.111,674 0.667,675 2.944,676 3.296,677 3.638,678 3.951,679 4.19,680 4.234,681 4.29,682 4.344,683 4.344,684 4.025,685 3.567,686 0.617,687 212.32,688 2.944,689 4.489,690 5.371,691 6.275,692 7.172,693 8.084,694 8.986,695 9.899,696 10.803,697 11.717,698 6.3,702 1,708 1,714 2,715 3,716 1,720 4,722 11,733 1,741 32,743 11,744 1,745 18,747 34,748 14,749 9,750 3,751 3,756 3,757 6,763 1,767 4,770 4,772 9,773 5,790 1,793 16,794 2,795 2,796 2,802 2,808 0.333,822 1,829 3,833 2,859 1,864 1,868 16,869 1,876 4,901 8,902 6.033,903 3.472,904 2.135,907 2.419,908 1.372,909 1.038,910 2.184,911 8.925,912 3.199,913 3.882,914 4.567,915 5.224,916 5.821,917 6.17,918 6.508,919 6.843,920 7.131,921 6.914,922 0.75,923 28,924 5.931,926 2.542,927 0.026,929 7.438,931 11.819,933 10.19,936 1.938,937 31,938 0.007,941 164.795,942 63.994,943 49.683,948 63.994,949 164.795,950 49.683,951 8.825,952 10.138,953 61.326,954 16.786,955 16.602,957 164.795,959 164.795,960 113.677,964 164.795,968 23.864,969 73.027,970 16.786,972 164.795,973 49.683,974 63.994,977 164.795,978 26.74,979 37.254,981 49.683,982 164.795,983 49.683,984 63.994,986 0.588,987 0.365,988 0.212,989 0.113,990 15,991 6,994 2,995 1.286,996 2.78,997 117.95,998 0.286,999 14,1000 62,1005 9.797,1006 3.566,1007 1.452,1008 2.21,1009 49.683,1010 6.225,1011 4.757,1015 4.726,1017 32.897,1018 278.472,1019 23.5,1031 31.389,1032 35.903,1034 0.254,1035 0.653,1036 0.816,1037 0.883,1038 0.908,1039 0.908,1040 4.44,1042 5.371,1043 2.108,1044 3.97,1045 4.564,1047 6.244,1048 3.94,1049 5.674,1050 -0.222,1051 6.967,1053 3.611,1054 4.559,1056 7.273,1057 3.561,1058 7.015,1059 -0.504,1060 8.67,1061 -0.539,1062 5.609,1063 6.913,1065 10.439,1066 5.549,1067 8.4,1068 -0.856,1069 10.437,1070 -1.221,1071 6.089,1072 7.751,1074 12.303,1075 6.009,1076 9.82,1077 -1.137,1078 12.243,1079 -2.048,1080 7.572,1081 9.601,1083 14.993,1084 7.482,1085 11.266,1086 -1.414,1087 14.077,1088 -3.024,1089 8.441,1090 10.821,1092 17.19,1093 8.333,1094 12.731,1095 -1.529,1096 15.93,1097 -3.592,1098 9.724,1099 12.476,1101 19.717,1102 9.604,1103 3.261,1104 -1.822,1105 17.797,1106 -4.536,1107 10.768,1108 13.87,1110 22.052,1111 10.629,1112 2.653,1113 11.505,1114 19.676,1115 -5.246,1116 11.977,1117 15.448,1119 24.522,1120 11.824,1121 2.11,1122 8.884,1123 21.563,1124 4.64,1125 13.095,1126 16.92,1128 26.916,1129 12.925,1130 1.824,1131 6.425,1132 23.457,1133 3.527,1134 14.28,1135 18.47,1137 29.366,1138 14.093,1139 1.414,1140 5.031,1141 25.356,1142 2.952,1143 15.431,1144 19.976,1146 31.785,1147 15.227,1148 1.326,1149 3.316,1150 27.26,1151 2.398,1152 16.608,1153 21.515,1155 34.229,1156 16.388,1157 0.896,1158 2.993,1159 29.168,1160 1.837,1161 17.774,1162 23.036,1164 36.66,1165 17.537,1166 1775,1167 2498,1168 12.137,1169 21.341,1170 27.077,1171 27.183,1172 28.423,1173 27.005,1174 26.969,1175 35.654,1177 80.524,1178 26.555,1179 5.632,1180 5.381,1181 6.587,1182 5.286,1183 5.261,1184 7.64,1186 19.059,1187 5.209,1188 6.024,1189 1.504,1190 1.51,1191 1.579,1192 1.5,1193 1.498,1194 1.981,1196 4.474,1197 1.475,1198 4.116,1199 4.144,1200 4.079,1201 4.049,1202 5.14,1203 4.053,1204 3.748,1205 3.795,1206 3.635,1207 3.666,1208 4.777,1209 3.652,1210 3.31,1211 3.383,1212 3.175,1213 3.171,1214 4.395,1215 3.164,1216 3.235,1217 3.313,1218 3.098,1219 3.083,1220 4.013,1221 3.074,1222 3.063,1223 3.155,1224 2.845,1225 2.894,1226 3.831,1227 2.87,1228 2.83,1229 2.961,1230 2.591,1231 2.548,1232 3.489,1233 2.533,1234 2.656,1235 2.729,1236 2.51,1237 2.517,1238 3.27,1239 2.519,1240 2.43,1241 2.538,1242 2.151,1243 2.161,1244 3.126,1245 2.146,1246 0.26,1247 0.188,1248 0.384,1249 0.236,1250 0.181,1251 4.687,1252 0.258,1253 3.381,1255 6.905,1256 0.639,1257 4.245,1258 0.178,1259 3.261,1260 4.64,1262 11.505,1263 3.209,1264 2.079,1265 2.055,1266 2.162,1267 2.165,1268 1.433,1269 2.166,1270 1.768,1271 1.724,1272 1.965,1273 1.887,1274 1.19,1275 1.916,1276 1.3,1277 1.24,1278 1.564,1279 1.505,1280 0.755,1281 1.522,1282 1.241,1283 1.17,1284 1.505,1285 1.448,1286 0.663,1287 1.478,1288 1.094,1289 1.008,1290 1.428,1291 1.314,1292 0.564,1293 1.36,1294 0.777,1295 0.656,1296 1.138,1297 1.143,1298 0.195,1299 1.156,1300 0.684,1301 0.622,1302 0.994,1303 0.877,1304 0.041,1305 0.923,1306 0.441,1307 0.32,1308 0.831,1309 0.711,1311 0.76,1312 3.611,1314 4.949,1316 6.521,1318 8.203,1320 9.941,1322 2.107,1326 6.301,1328 4.675,1340 19.73,1341 40.697,1342 104.436,1343 130.49,1344 141.245,1345 145.245,1346 145.245,1347 17.669,1348 6.506,1349 38.91,1350 38.91,1351 18,1352 12.231,1353 3.585,1354 2.7,1355 21.59,1356 37,1357 24,1358 0.333,1359 121.835,1360 200.68,1361 289.037,1362 4762,1364 11.121,1365 0.695,1366 0.599,1367 11.121,1368 9.585,1369 7.771,1370 0.432,1371 0.33,1372 5.912,1373 7.676,1374 5.724,1375 4.757,1376 7.771,1377 5.937,1378 7.049,1379 0.271,1380 0.178,1381 7.049,1382 4.627,1383 6.292,1384 0.17,1385 0.096,1386 6.292,1387 3.539,1388 5.67,1389 0.111,1390 0.053,1391 5.67,1392 2.695,1393 4.472,1394 0.069,1395 0.03,1396 4.472,1397 1.921,1398 0.478,1399 47.322,1400 0.287,1401 15.465,1402 1.058,1403 88,1404 178.957,1405 91.081,1406 184.199,1407 266.68,1408 174,1409 107,1410 209.662,1411 110.497,1412 216.946,1413 321.46,1414 206,1415 7.004}
{0 CHEMBL134057,1 1.471,2 5.75,3 3.454,4 11.933,5 66.543,6 8.025,7 0.611,8 3.475,9 3.595,10 3.117,11 3.126,12 4.509,13 3.076,14 4.017,15 4.179,16 3.525,17 3.558,18 4.978,19 3.478,20 4.311,21 4.526,22 3.672,23 3.694,24 5.261,25 3.593,26 4.275,27 4.492,28 3.629,29 3.584,30 5.369,31 3.471,32 4.158,33 4.4,34 3.152,35 3.408,36 5.089,37 3.236,38 3.953,39 4.228,40 2.771,41 3.138,42 4.707,43 2.9,44 3.623,45 3.925,46 2.137,47 2.683,48 4.31,49 2.369,50 2.885,51 3.243,52 0.728,53 1.736,54 3.409,55 1.348,56 0.026,57 0.408,58 5.509,59 2.553,60 5.055,61 3.474,62 0.031,63 0.676,64 10.846,65 4.847,66 6.605,67 6.648,68 0.101,69 0.876,70 17.932,71 6.479,72 14.075,73 8.886,74 0.236,75 0.839,76 18.608,77 5.763,78 30.609,79 7.916,80 0.174,81 0.716,82 18.112,83 5.461,84 24.243,85 7.383,86 0.104,87 0.53,88 15.532,89 5.219,90 15.951,91 7.141,92 0.102,93 0.335,94 14.384,95 4.121,96 13.9,97 5.525,98 0.058,99 0.149,100 7.242,101 1.97,102 7.53,103 2.695,104 5,105 26,106 0.284,107 0.674,108 0.772,109 0.843,110 0.87,111 0.87,112 2.857,113 1.001,114 -3.97,115 -3.92,116 -3.72,121 44.8,123 4,144 3,145 2,146 2,148 2,165 1,166 1,167 1,176 6,180 4,185 2,187 10,189 2,192 3,197 1,200 5,203 1,206 3,208 1,209 1,211 5,214 7,216 5,224 2,227 7,229 2,239 7,251 3,281 178,282 10.914,283 10.914,284 10.914,285 10.914,286 10.914,287 9.529,288 8.64,289 6.356,290 11.089,291 8.873,292 8.873,293 8.873,294 8.873,295 8.873,296 6.762,297 5.293,298 2.985,299 9.228,300 3.387,301 1.362,302 0.854,303 0.483,304 0.345,305 0.345,306 3.532,308 1,311 1,312 1,313 202,314 1.732,318 77.413,322 85.609,325 0.906,326 11.926,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 33.333,338 92,339 4.687,340 3.426,341 6.905,342 4.233,343 3.261,344 4.64,346 11.505,347 3.164,348 4.006,349 2.978,350 6.153,351 3.619,352 2.653,353 3.527,355 8.884,356 2.554,357 3.525,358 2.266,359 5.299,360 3.064,361 2.11,362 2.952,364 6.425,365 2.009,366 3.163,367 2.224,368 4.845,369 2.741,370 1.824,371 2.398,373 5.031,374 1.618,375 2.743,376 1.558,377 4.043,378 2.395,379 1.414,380 1.837,382 3.316,383 1.373,384 2.488,385 1.362,386 3.666,387 2.323,388 1.326,389 1.488,391 2.993,392 1.314,393 2.027,394 1.157,395 3.472,396 1.859,397 0.896,398 0.985,400 2.108,401 0.842,402 1.342,403 0.357,404 2.938,405 0.95,411 1.074,412 0.106,413 2.548,414 0.638,415 -0.222,416 -0.272,418 -0.539,419 -0.15,420 0.832,421 -0.419,422 2.337,423 0.426,424 -0.504,425 -0.633,427 -1.221,428 -0.468,429 0.27,430 -0.633,431 2,432 0.13,433 -0.856,434 -0.94,436 -2.048,437 -0.84,438 0.152,439 -0.968,440 1.834,441 -0.178,442 -1.137,443 -1.458,445 -3.024,446 -1.014,447 -0.102,448 -1.156,449 1.518,450 -0.553,451 -1.414,452 -1.797,454 -3.592,455 -1.225,456 -0.257,457 -1.385,458 1.315,459 -0.634,460 -1.529,461 -1.942,463 -4.536,464 -1.488,465 -0.5,466 -1.738,467 1.249,468 -0.871,469 -1.822,470 -2.203,472 -5.246,473 -1.741,474 8.014,475 0.501,476 0.401,477 0.025,478 20.5,479 1.281,480 10.5,481 0.656,482 10,483 0.625,484 12.191,485 0.762,486 16.586,487 0.572,488 11.139,489 0.696,490 3.614,491 0.226,492 4.157,493 0.26,494 0.139,496 0.374,501 0.767,502 0.997,503 0.603,504 0.778,505 0.897,506 0.799,507 0.581,508 1.167,509 0.614,510 0.925,511 0.519,512 0.908,513 0.901,514 1.126,515 0.766,516 0.886,517 0.811,518 0.865,519 1.04,520 1.119,521 0.963,522 1.028,523 1.009,524 1.027,525 1.513,526 0.94,527 1.303,528 1.082,529 1.637,530 1.157,531 0.932,532 0.911,533 1.127,534 1.109,535 1.06,536 1.142,537 1.224,538 0.818,539 1.622,540 1.255,541 1.113,542 1.175,543 1.086,544 0.595,545 1.443,546 1.05,547 0.964,548 0.959,549 2.5,551 2,552 1.625,553 1.311,554 0.41,555 0.1,556 0.028,559 1798,560 4441,561 2.135,562 44.8,563 6,564 3,567 2,568 2,572 1.559,573 2,574 2.577,575 0.39,577 1,578 1,579 1,582 42.67,583 1.471,584 3.496,585 4.004,586 4.375,587 4.513,588 4.513,589 1.924,590 3.25,591 3.979,592 2.59,593 310.851,594 6.732,595 2591.95,597 1,599 1,600 140.881,601 1.406,602 3.933,603 0.139,605 0.077,606 0.058,607 0.057,608 0.029,609 0.013,610 0.009,613 0.382,614 1,615 1,616 0.625,617 61.746,618 -0.089,619 0.123,620 0.007,621 0.103,622 -0.103,623 0.086,624 0.051,625 -0.14,626 0.07,627 -0.005,628 0.099,629 0.023,630 0.009,631 -0.12,632 0.09,633 0.049,634 0.051,635 0.078,636 0.17,637 -0.066,638 0.009,639 -0.115,640 0.219,641 -0.12,642 -0.332,643 0.064,644 -0.269,645 -0.138,646 -0.374,647 -0.222,648 -0.069,649 -0.055,650 -0.077,651 -0.088,652 -0.158,653 -0.117,654 -0.102,655 -0.071,656 -0.19,657 -0.141,658 -0.144,659 -0.088,660 -0.028,661 0.103,662 -0.058,663 0.075,664 -0.03,665 0.168,666 0.962,667 2.216,668 0.875,669 7.234,670 0.994,671 1.118,672 2.74,673 7.508,674 0.705,675 2.944,676 3.296,677 3.638,678 3.951,679 4.19,680 4.234,681 4.29,682 4.344,683 4.344,684 4.025,685 3.567,686 0.656,687 232.73,688 2.944,689 4.489,690 5.371,691 6.275,692 7.172,693 8.084,694 8.986,695 9.899,696 10.803,697 11.717,698 6.9,702 1,708 1,714 2,715 3,716 1,720 4,722 11,733 1,740 1,741 29,743 11,744 1,745 18,747 31,748 13,749 9,750 3,751 3,756 3,757 6,758 1,767 4,770 4,772 9,773 4,790 1,793 13,794 2,795 2,796 3,797 1,802 2,808 0.333,822 1,829 3,833 2,859 1,865 1,868 16,869 1,876 4,892 1,901 8,902 5.176,903 3.472,904 1.92,907 2.419,908 1.372,909 1.044,910 2.341,911 8.925,912 3.199,913 3.882,914 4.567,915 5.224,916 5.821,917 6.17,918 6.508,919 6.843,920 7.131,921 6.914,922 0.75,923 28,924 5.915,926 2.567,927 0.026,929 7.569,931 11.605,933 10.024,936 2.069,937 33.111,938 0.005,941 129.482,942 55.484,943 49.683,944 39.149,948 55.484,949 168.631,950 49.683,952 10.138,953 61.326,954 16.786,955 16.917,957 129.482,958 39.149,959 129.482,960 105.166,962 39.149,964 129.482,968 15.039,969 73.342,970 55.934,972 129.482,973 49.683,974 94.632,977 129.482,978 27.055,979 28.429,981 88.831,982 129.482,983 49.683,984 94.632,986 0.588,987 0.365,988 0.212,989 0.113,990 15,991 6,994 2,995 1.286,996 2.78,997 117.95,998 0.286,999 14,1000 64,1005 10.064,1006 3.722,1007 1.532,1008 1.843,1009 49.683,1010 5.774,1011 4.673,1015 3.923,1017 32.897,1018 273.797,1019 23.5,1031 28.829,1032 32.432,1034 0.303,1035 0.72,1036 0.824,1037 0.901,1038 0.929,1039 0.929,1040 4.44,1042 5.371,1043 2.108,1044 3.97,1045 4.564,1047 6.244,1048 3.892,1049 5.674,1050 -0.222,1051 6.967,1053 3.611,1054 4.559,1056 7.273,1057 3.453,1058 7.015,1059 -0.504,1060 8.67,1061 -0.539,1062 5.609,1063 6.913,1065 10.439,1066 5.474,1067 8.4,1068 -0.856,1069 10.437,1070 -1.221,1071 6.089,1072 7.751,1074 12.303,1075 5.887,1076 9.82,1077 -1.137,1078 12.243,1079 -2.048,1080 7.572,1081 9.601,1083 14.993,1084 7.38,1085 11.266,1086 -1.414,1087 14.077,1088 -3.024,1089 8.441,1090 10.821,1092 17.19,1093 8.197,1094 12.731,1095 -1.529,1096 15.93,1097 -3.592,1098 9.724,1099 12.476,1101 19.717,1102 9.475,1103 3.261,1104 -1.822,1105 17.797,1106 -4.536,1107 10.768,1108 13.87,1110 22.052,1111 10.476,1112 2.653,1113 11.505,1114 19.676,1115 -5.246,1116 11.977,1117 15.448,1119 24.522,1120 11.669,1121 2.11,1122 8.884,1123 21.563,1124 4.64,1125 13.095,1126 16.92,1128 26.916,1129 12.751,1130 1.824,1131 6.425,1132 23.457,1133 3.527,1134 14.28,1135 18.47,1137 29.366,1138 13.912,1139 1.414,1140 5.031,1141 25.356,1142 2.952,1143 15.431,1144 19.976,1146 31.785,1147 15.031,1148 1.326,1149 3.316,1150 27.26,1151 2.398,1152 16.608,1153 21.515,1155 34.229,1156 16.182,1157 0.896,1158 2.993,1159 29.168,1160 1.837,1161 17.774,1162 23.036,1164 36.66,1165 17.317,1166 1775,1167 2876,1168 12.137,1169 20.438,1170 27.077,1171 27.702,1172 28.423,1173 27.166,1174 26.969,1175 35.654,1177 80.524,1178 25.747,1179 5.632,1180 5.426,1181 6.587,1182 5.274,1183 5.261,1184 7.64,1186 19.059,1187 5.164,1188 6.024,1189 1.504,1190 1.539,1191 1.579,1192 1.509,1193 1.498,1194 1.981,1196 4.474,1197 1.43,1198 4.108,1199 4.134,1200 4.142,1201 4.043,1202 5.167,1203 4.046,1204 3.736,1205 3.78,1206 3.724,1207 3.657,1208 4.859,1209 3.643,1210 3.303,1211 3.374,1212 3.352,1213 3.169,1214 4.598,1215 3.162,1216 3.146,1217 3.219,1218 3.17,1219 2.987,1220 4.23,1221 2.984,1222 2.935,1223 3.018,1224 2.92,1225 2.804,1226 3.93,1227 2.775,1228 2.73,1229 2.83,1230 2.617,1231 2.547,1232 3.509,1233 2.531,1234 2.642,1235 2.709,1236 2.51,1237 2.387,1238 3.286,1239 2.399,1240 2.042,1241 2.187,1242 2.163,1243 1.719,1244 3.153,1245 1.706,1246 0.26,1247 0.19,1248 0.384,1249 0.235,1250 0.181,1251 4.687,1252 0.258,1253 3.426,1255 6.905,1256 0.639,1257 4.233,1258 0.176,1259 3.261,1260 4.64,1262 11.505,1263 3.164,1264 2.066,1265 2.044,1266 2.141,1267 2.152,1268 1.428,1269 2.152,1270 1.751,1271 1.709,1272 1.927,1273 1.864,1274 1.138,1275 1.893,1276 1.293,1277 1.236,1278 1.506,1279 1.492,1280 0.754,1281 1.502,1282 1.132,1283 1.059,1284 1.434,1285 1.344,1286 0.604,1287 1.378,1288 0.915,1289 0.859,1290 1.155,1291 1.168,1292 0.214,1293 1.181,1294 0.697,1295 0.623,1296 1.021,1297 0.949,1298 0.135,1299 0.988,1300 0.622,1301 0.51,1302 0.908,1303 0.84,1305 0.882,1306 0.058,1308 0.674,1309 0.452,1311 0.537,1312 3.611,1314 4.949,1316 6.521,1318 8.203,1320 9.941,1323 6.185,1326 6.216,1328 4.498,1340 19.031,1341 42.67,1342 101.372,1343 116.127,1344 126.881,1345 130.881,1346 130.881,1347 19.228,1348 6.506,1349 38.91,1350 38.91,1351 18,1352 12.231,1353 3.585,1354 2.7,1355 21.59,1356 37,1357 24,1358 0.333,1359 120.575,1360 198.59,1361 285.963,1362 4762,1363 3.4,1364 11.121,1365 0.695,1366 0.607,1367 11.621,1368 9.719,1369 7.771,1370 0.432,1371 0.334,1372 5.631,1373 7.384,1374 5.479,1375 4.505,1376 8.06,1377 6.004,1378 7.049,1379 0.271,1380 0.181,1381 7.42,1382 4.699,1383 6.292,1384 0.17,1385 0.097,1386 6.628,1387 3.595,1388 5.67,1389 0.111,1390 0.054,1391 6.059,1392 2.743,1393 4.472,1394 0.069,1395 0.03,1396 4.689,1397 1.947,1398 0.478,1399 50.497,1400 0.287,1401 15.465,1402 1.058,1403 88,1404 205.161,1405 106.6,1406 237.582,1407 325.6,1408 222,1409 107,1410 226.525,1411 122.207,1412 242.069,1413 360.04,1414 230,1415 7.409}
{0 CHEMBL134061,1 2.155,2 9.346,3 3.845,4 14.782,5 90.961,6 10.171,7 0.393,8 3.841,9 3.935,10 3.687,11 3.352,12 5.052,13 3.363,14 4.425,15 4.568,16 4.158,17 3.712,18 6.107,19 3.718,20 4.567,21 4.744,22 4.183,23 3.795,24 5.863,25 3.763,26 4.49,27 4.68,28 3.995,29 3.655,30 5.776,31 3.656,32 4.468,33 4.662,34 4.068,35 3.665,36 5.906,37 3.66,38 4.415,39 4.546,40 4.15,41 3.733,42 5.937,43 3.715,44 4.407,45 4.528,46 4.048,47 3.688,48 6.117,49 3.656,50 4.483,51 4.67,52 3.961,53 3.673,54 5.811,55 3.641,56 0.297,57 0.822,58 3.804,59 3.801,60 38.638,61 3.56,62 1.13,63 1.565,64 15.757,65 6.461,66 155.038,67 6.106,68 1.03,69 1.348,70 24.915,71 8.347,72 116.098,73 7.733,74 0.842,75 1.082,76 19.372,77 6.011,78 97.823,79 6.475,80 1,81 1.223,82 16.552,83 5.523,84 96.968,85 5.804,86 0.771,87 1.406,88 18.516,89 7.11,90 84.561,91 5.681,92 0.985,93 1.21,94 18.451,95 7.47,96 144.433,97 6.625,98 0.827,99 1.436,100 18.502,101 8.353,102 101.139,103 8.821,104 29,105 40,106 0.385,107 0.692,108 0.777,109 0.795,110 0.795,111 0.795,112 3.305,113 0.964,114 -5.07,115 -4.97,116 -4.65,121 37.5,127 5,134 1,144 4,145 1,146 1,151 1,161 1,164 1,168 1,176 4,179 5,180 4,187 6,191 3,192 6,200 4,205 2,206 8,214 2,218 2,219 4,227 2,231 1,232 6,239 2,243 1,244 6,256 1,264 1,269 4,281 1094,282 16.947,283 16.947,284 16.947,285 16.947,286 16.947,287 15.572,288 15.985,289 9.906,290 17.946,291 13.821,292 13.821,293 13.821,294 13.821,295 13.821,296 11.633,297 15.005,298 4.749,299 15.584,300 3.167,301 1.449,302 0.969,303 0.869,304 0.869,305 0.869,306 3.979,308 1,311 1,312 1,313 509,314 3.742,317 77.134,318 181.441,325 1.423,326 50.241,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 60.833,338 243,339 4.506,340 4.57,341 6.669,342 4.097,343 3.181,344 4.185,345 3.02,346 10.723,347 2.943,348 4.11,349 4.144,350 6.393,351 3.881,352 3.08,353 3.637,354 2.95,355 9.949,356 2.669,357 4.084,358 3.721,359 6.127,360 3.744,361 2.783,362 3.101,363 1.678,364 8.958,365 2.411,366 3.756,367 2.988,368 5.678,369 3.373,370 2.47,371 3.073,372 0.86,373 7.512,374 2.212,375 3.486,376 2.815,377 5.03,378 3.078,379 2.195,380 2.719,381 0.527,382 6.03,383 1.879,384 2.952,385 2.575,386 4.641,387 2.659,388 1.764,389 1.985,391 4.652,392 1.553,393 2.743,394 2.494,395 4.255,396 2.242,397 1.368,398 1.835,400 3.789,401 1.164,402 2.5,403 1.942,404 3.781,405 2.114,406 1.231,407 1.5,409 3.014,410 1.072,411 2.423,412 1.711,413 3.414,414 2,415 1,416 1.402,418 2.275,419 1,420 2.05,421 1.275,422 3.324,423 1.952,424 1,425 1,427 2.136,428 0.946,429 2,430 1.256,431 3.289,432 1.564,433 0.575,434 0.78,436 1.449,437 0.551,438 1.69,439 1,440 3.247,441 1.33,442 0.526,443 0.604,445 1.338,446 0.417,447 1.117,448 0.51,449 2.569,450 0.637,451 -0.204,452 -0.255,454 -0.454,455 -0.138,456 0.509,457 0.51,458 2.507,459 0.227,460 -0.727,461 -0.765,463 -1.606,464 -0.618,465 0.5,466 0.397,467 2.173,468 0.103,469 -0.785,470 -0.908,472 -2.317,473 -0.7,474 12.171,475 0.468,476 0.84,477 0.032,478 29.75,479 1.144,480 12,481 0.462,482 17.75,483 0.683,484 23.019,485 0.885,486 29.829,487 0.746,488 24.158,489 0.929,490 5.955,491 0.229,492 6.377,493 0.245,494 0.156,495 0.041,496 0.271,498 3,501 0.629,502 1.094,503 0.562,504 0.989,505 0.576,506 0.92,507 0.6,508 0.775,509 0.795,510 0.943,511 0.417,512 0.884,513 0.929,514 0.948,515 0.964,516 1.025,517 0.857,518 0.969,519 0.772,520 0.817,521 0.826,522 0.882,523 0.741,524 0.918,525 0.681,526 0.511,527 0.674,528 0.518,529 0.77,530 0.641,531 0.916,532 1.069,533 1.296,534 1.389,535 0.921,536 1.096,537 0.648,538 0.939,539 1.215,540 1.456,541 0.706,542 1.298,543 0.861,544 1.287,545 0.551,546 1.075,547 0.922,548 1.182,549 6.5,550 0.173,551 3.111,552 1.632,553 1.553,554 1.101,555 0.772,556 0.546,557 0.358,558 0.211,559 7213,560 32112,561 2.005,562 35,564 14,572 1.698,573 1.846,574 3.166,575 -0.57,577 1,582 86.216,583 2.155,584 3.873,585 4.353,586 4.453,587 4.453,588 4.453,589 2.643,590 4.085,591 4.668,592 3.365,593 1093.7,594 8.131,595 13750.3,597 1,599 1,600 212.877,601 1.648,602 4.606,603 0.232,604 0.013,605 0.078,606 0.044,607 0.044,608 0.03,609 0.02,610 0.016,611 0.012,612 0.008,613 0.498,614 0.33,615 1,616 1.181,617 125.968,618 -0.043,619 -0.151,620 0.027,621 -0.07,622 -0.06,623 -0.05,624 0.267,625 0.221,626 0.031,627 0.038,628 0.36,629 0.006,630 -0.105,631 -0.08,632 0.031,633 -0.007,634 -0.093,635 0.021,636 -0.116,637 -0.16,638 -0.002,639 -0.057,640 -0.074,641 0.01,642 0.086,643 0.294,644 0.096,645 0.329,646 -0.001,647 0.237,648 -0.075,649 -0.012,650 -0.26,651 -0.18,652 -0.04,653 -0.193,654 0.249,655 0.081,656 -0.244,657 -0.295,658 0.268,659 -0.353,660 0.004,661 -0.34,662 0.196,663 -0.19,664 -0.007,665 -0.132,666 5.635,667 5.659,668 0.654,669 23.769,670 1.055,671 1.155,672 3.839,673 14.735,674 0.689,675 3.367,676 3.714,677 3.892,678 4.127,679 4.369,680 4.466,681 4.585,682 4.691,683 4.754,684 4.71,685 5.875,686 0.684,687 406.85,688 3.367,689 4.92,690 5.746,691 6.629,692 7.482,693 8.369,694 9.236,695 10.127,696 11.002,697 11.895,698 10,705 1,706 1,708 2,715 4,716 2,720 4,721 1,722 11,740 1,741 40,743 12,744 1,745 28,747 42,748 15,749 8,750 2,751 4,752 1,756 3,757 3,758 1,761 1,763 1,769 1,772 9,773 6,777 1,782 1,786 1,790 1,791 3,793 14,794 8,796 11,797 2,802 4,808 1,809 2,828 1,829 2,858 1,859 3,860 1,862 1,865 1,866 3,868 26,876 5,878 1,879 1,881 1,882 1,890 1,892 4,893 5,896 1,897 1,901 14.083,902 7.205,903 5.569,904 2.259,907 1.978,908 1.283,909 0.964,910 6.003,911 8.976,912 3.57,913 4.123,914 4.616,915 5.147,916 5.607,917 5.935,918 6.263,919 6.604,920 6.935,921 7.044,922 1,923 37,924 10.064,926 4.746,927 0.026,929 8.405,931 17.452,933 14.074,936 2.905,937 75.528,940 1,941 164.795,942 106.163,943 38.349,944 39.149,945 36.145,946 44.88,947 32.22,948 73.943,949 240.089,950 83.23,952 17.42,953 37.905,954 69.593,955 56.364,956 4.276,957 197.015,958 46.908,959 164.795,960 112.293,961 81.025,962 71.368,964 167.123,965 70.025,966 11,968 27.649,969 48.867,970 72.597,971 32.22,972 209.676,973 74.494,974 145.312,977 172.555,978 60.498,979 42.806,981 153.622,982 164.795,983 119.375,984 145.312,986 0.591,987 0.311,988 0.158,989 0.094,990 19,991 9,992 0.071,993 3,995 1,996 3.696,997 216.001,999 17,1000 109.457,1001 1,1005 19.336,1006 8.072,1007 5.067,1009 117.598,1010 6.507,1011 8.25,1015 1.109,1016 0.922,1018 429.482,1019 34.5,1024 12.659,1028 -0.523,1031 42.185,1032 46.202,1034 0.405,1035 0.728,1036 0.818,1037 0.837,1038 0.837,1039 0.837,1040 4.834,1041 1.231,1042 5.778,1043 3.789,1044 4.394,1045 4.808,1046 3.655,1047 6.603,1048 4.174,1049 6.045,1050 1,1051 7.354,1052 3.014,1053 4.205,1054 4.705,1055 3.192,1056 7.724,1057 3.775,1058 7.362,1059 1,1060 9.036,1061 2.275,1062 6.061,1063 6.934,1064 5.552,1065 10.679,1066 5.628,1067 8.712,1068 0.575,1069 10.778,1070 2.136,1071 6.635,1072 7.609,1073 5.508,1074 12.544,1075 6.009,1076 10.092,1077 0.526,1078 12.557,1079 1.449,1080 8.031,1081 9.369,1082 7.663,1083 15.088,1084 7.382,1085 11.491,1086 -0.204,1087 14.359,1088 1.338,1089 8.916,1090 10.398,1091 7.736,1092 17.224,1093 8.109,1094 12.906,1095 -0.727,1096 16.178,1097 -0.454,1098 10.145,1099 11.968,1100 9.826,1101 19.638,1102 9.29,1103 3.181,1104 -0.785,1105 18.007,1106 -1.606,1107 11.166,1108 13.179,1109 9.948,1110 21.886,1111 10.183,1112 3.08,1113 10.723,1114 19.846,1115 -2.317,1116 12.332,1117 14.664,1118 12.003,1119 24.254,1120 11.285,1121 2.783,1122 9.949,1123 21.691,1124 4.185,1125 13.415,1126 15.971,1127 12.158,1128 26.554,1129 12.259,1130 2.47,1131 8.958,1132 23.541,1133 3.637,1134 14.558,1135 17.419,1136 14.184,1137 28.906,1138 13.33,1139 2.195,1140 7.512,1141 25.396,1142 3.101,1143 15.669,1144 18.779,1145 14.369,1146 31.231,1147 14.346,1148 1.764,1149 6.03,1150 27.254,1151 3.073,1152 16.806,1153 20.211,1154 16.366,1155 33.58,1156 15.407,1157 1.368,1158 4.652,1159 29.116,1160 2.719,1161 17.931,1162 21.6,1163 16.579,1164 35.918,1165 16.445,1166 7156,1167 15275,1168 18.087,1169 27.58,1170 43.031,1171 45.801,1172 43.126,1173 42.726,1174 42.347,1175 51.642,1176 18.07,1177 123.646,1178 37.632,1179 5.506,1180 6.57,1181 6.471,1182 5.241,1183 5.181,1184 7.185,1185 5.97,1186 17.915,1187 4.943,1188 14.575,1189 1.537,1190 1.636,1191 1.54,1192 1.526,1193 1.512,1194 1.844,1195 0.645,1196 4.416,1197 1.344,1198 4.012,1199 4.057,1200 4.111,1201 3.897,1202 8.513,1203 3.899,1204 3.821,1205 3.86,1206 3.953,1207 3.651,1208 7.999,1209 3.66,1210 3.685,1211 3.733,1212 3.701,1213 3.504,1214 7.999,1215 3.499,1216 3.537,1217 3.587,1218 3.577,1219 3.266,1220 7.429,1221 3.292,1222 3.113,1223 3.206,1224 3.306,1225 2.941,1226 5.041,1227 2.91,1228 3.111,1229 3.129,1230 3.136,1231 2.884,1232 4.87,1233 2.91,1234 2.854,1235 2.925,1236 2.907,1237 2.735,1238 4.612,1239 2.715,1240 2.83,1241 2.853,1242 2.866,1243 2.664,1244 4.246,1245 2.676,1246 0.161,1247 0.163,1248 0.238,1249 0.146,1250 0.114,1251 4.506,1252 0.149,1253 4.57,1254 0.108,1255 6.669,1256 0.383,1257 4.097,1258 0.105,1259 3.181,1260 4.185,1261 3.02,1262 10.723,1263 2.943,1264 1.893,1265 1.872,1266 1.975,1267 1.992,1268 1.194,1269 1.98,1270 1.72,1271 1.666,1272 1.918,1273 1.958,1274 1.078,1275 1.959,1276 1.481,1277 1.452,1278 1.536,1279 1.719,1280 0.874,1281 1.691,1282 1.268,1283 1.218,1284 1.513,1285 1.618,1286 0.825,1287 1.542,1288 1.158,1289 1.12,1290 1.343,1291 1.376,1292 0.397,1293 1.429,1294 1.153,1295 1.064,1296 1.184,1297 1.355,1298 0.26,1299 1.317,1300 0.886,1301 0.821,1302 1.181,1303 1.101,1304 0.218,1305 1.107,1306 0.75,1307 0.708,1308 1.023,1309 1.062,1310 0.184,1311 1.074,1312 4.043,1314 5.38,1315 2.398,1316 6.889,1317 4.727,1318 8.468,1319 6.843,1320 10.087,1323 5.84,1324 37.794,1328 0.268,1330 5.188,1331 0.425,1333 1.474,1334 -4.385,1340 27.367,1341 86.216,1342 154.903,1343 174.122,1344 178.122,1345 178.122,1346 178.122,1347 62.932,1348 6.998,1349 60.25,1350 85.55,1351 17,1352 12.426,1353 3.7,1354 2.907,1355 43.939,1356 88,1357 98,1358 0.24,1359 173.139,1360 306.85,1361 414.219,1362 8738,1363 10,1364 18.734,1365 0.721,1366 0.575,1367 17.087,1368 14.943,1369 12.332,1370 0.44,1371 0.321,1372 7.537,1373 10.798,1374 7.359,1375 5.948,1376 11.929,1377 8.993,1378 12.032,1379 0.301,1380 0.17,1381 10.786,1382 6.801,1383 8.847,1384 0.184,1385 0.099,1386 9.094,1387 4.754,1388 6.948,1389 0.114,1390 0.051,1391 7.481,1392 3.083,1393 5.762,1394 0.074,1395 0.028,1396 6.156,1397 2.172,1398 0.367,1399 87.467,1400 0.235,1401 24.846,1402 0.691,1403 136,1404 669.449,1405 206.571,1406 600.45,1407 764.98,1408 556,1409 156,1410 490.697,1411 215.731,1412 490.335,1413 739.33,1414 459,1415 4.301}
{0 CHEMBL134154,1 1.554,2 6.118,3 2.307,4 5.322,5 65.83,6 7.429,7 0.579,8 3.563,9 3.672,10 3.137,11 3.079,12 4.665,13 3.077,14 4.095,15 4.25,16 3.492,17 3.464,18 5.129,19 3.446,20 4.272,21 4.45,22 3.614,23 3.586,24 5.29,25 3.56,26 4.307,27 4.491,28 3.546,29 3.53,30 5.467,31 3.49,32 4.287,33 4.502,34 3.224,35 3.432,36 5.272,37 3.34,38 4.159,39 4.414,40 2.789,41 3.21,42 5.041,43 3.043,44 3.907,45 4.219,46 2.197,47 2.824,48 4.528,49 2.584,50 3.435,51 3.761,52 1.277,53 2.206,54 4.007,55 1.918,56 0.033,57 0.445,58 6.494,59 2.857,60 6.487,61 3.59,62 0.197,63 0.695,64 12.575,65 4.852,66 15.063,67 6.194,68 0.137,69 0.845,70 15.087,71 5.598,72 12.607,73 7.503,74 0.344,75 0.866,76 16.034,77 5.251,78 33.659,79 7.173,80 0.259,81 0.801,82 16.42,83 5.316,84 26.6,85 7.27,86 0.311,87 0.662,88 15.11,89 4.966,90 28.047,91 7.088,92 0.156,93 0.455,94 12.608,95 4.398,96 15.939,97 6.411,98 0.162,99 0.256,100 8.294,101 2.549,102 13.278,103 3.693,104 6,105 27,106 0.295,107 0.683,108 0.833,109 0.863,110 0.863,111 0.863,112 2.912,113 0.898,114 -3.14,115 -3.14,116 -3.02,121 41.9,123 2,126 1,127 1,144 3,145 2,146 2,148 1,149 1,165 1,166 1,167 1,176 4,179 1,180 7,185 2,187 5,189 2,192 4,197 1,200 2,203 1,205 1,206 6,208 3,209 3,211 3,214 3,216 3,219 2,224 1,227 3,229 1,231 1,232 2,239 3,251 1,281 240,282 11.784,283 11.784,284 11.784,285 11.784,286 11.784,287 10.452,288 13.189,289 6.878,290 12.153,291 9.31,292 9.31,293 9.31,294 9.31,295 9.31,296 7.19,297 15.187,298 3.139,299 9.825,300 3.4,301 1.356,302 0.565,303 0.411,304 0.411,305 0.411,306 3.59,311 1,312 1,313 226,314 2,318 84.768,322 93.582,325 0.962,326 15.223,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 37,338 104,339 4.694,340 3.425,341 6.924,342 4.241,343 3.27,344 4.645,345 0.86,346 11.607,347 3.175,348 4.021,349 2.983,350 6.181,351 3.632,352 2.677,353 3.538,354 0.86,355 9.019,356 2.559,357 3.538,358 2.349,359 5.312,360 3.065,361 2.122,362 2.967,364 6.49,365 1.992,366 3.209,367 2.268,368 5.031,369 2.828,370 1.906,371 2.439,373 5.506,374 1.753,375 2.761,376 1.624,377 4.058,378 2.394,379 1.426,380 1.862,382 3.316,383 1.373,384 2.489,385 1.573,386 3.669,387 2.3,388 1.329,389 1.488,391 2.995,392 1.284,393 2.066,394 1.263,395 3.48,396 1.859,397 0.945,398 1.03,400 2.185,401 0.855,402 1.591,403 0.923,404 3.039,405 1.314,406 0.441,407 0.491,409 0.696,410 0.381,411 1.334,412 0.175,413 2.763,414 0.933,420 0.921,421 -0.138,422 2.401,423 0.521,424 -0.424,425 -0.534,427 -1.053,428 -0.395,429 0.663,430 -0.322,431 2.218,432 0.275,433 -0.66,434 -0.813,436 -1.378,437 -0.607,438 0.266,439 -0.609,440 2,441 0.089,442 -0.857,443 -0.947,445 -2.05,446 -0.805,447 0.13,448 -0.949,449 1.726,450 -0.222,451 -1.169,452 -1.493,454 -3.141,455 -1.099,456 -0.208,457 -1.241,458 1.498,459 -0.561,460 -1.527,461 -1.863,463 -4.232,464 -1.437,465 -0.461,466 -1.392,467 1.305,468 -0.738,469 -1.63,470 -2.013,472 -4.546,473 -1.471,474 7.967,475 0.469,476 0.363,477 0.021,478 22.75,479 1.338,480 11.5,481 0.676,482 11.25,483 0.662,484 11.441,485 0.673,486 18.433,487 0.595,488 13.948,489 0.82,490 4.443,491 0.261,492 3.866,493 0.227,494 0.113,496 0.377,501 0.934,502 1.186,503 0.783,504 1.074,505 1.05,506 0.92,507 1.171,508 0.988,509 0.823,510 0.869,511 0.882,512 0.809,513 1.011,514 1.246,515 0.803,516 1.031,517 0.91,518 0.905,519 1.042,520 1.116,521 1.08,522 1.082,523 1.066,524 1.08,525 1.341,526 1.089,527 1.301,528 1.105,529 1.456,530 1.171,531 0.908,532 0.934,533 1.287,534 1.123,535 1.297,536 1.236,537 0.692,538 0.828,539 0.914,540 0.992,541 0.566,542 1.008,543 1.21,544 0.624,545 1.096,546 0.766,547 0.908,548 0.912,549 2.5,551 2,552 1.625,553 1.431,554 0.5,555 0.14,556 0.043,557 0.02,559 2099,560 5272,561 2.127,562 45.2,563 2,564 8,567 2,569 2,572 1.578,573 2,574 2.655,575 0.411,577 1,578 1,579 1,582 48.171,583 1.554,584 3.598,585 4.389,586 4.543,587 4.543,588 4.543,589 2.133,590 3.852,591 4.063,592 2.687,593 365.497,594 6.909,595 3177.95,597 1,599 1,600 153.58,601 1.379,602 4.023,603 0.132,605 0.074,606 0.054,607 0.055,608 0.028,609 0.014,610 0.009,611 0.02,613 0.386,614 0.83,615 1,616 0.844,617 67.566,618 -0.074,619 -0.026,620 0.054,621 -0.02,622 -0.126,623 0.038,624 -0.049,625 0.049,626 0.103,627 0.152,628 0.016,629 0.148,630 -0.057,631 -0.206,632 0.121,633 -0.035,634 0.003,635 0.054,636 0.089,637 -0.026,638 -0.129,639 -0.155,640 0.172,641 -0.182,642 -0.259,643 -0.08,644 -0.334,645 -0.172,646 -0.304,647 -0.246,648 0.008,649 0.004,650 -0.307,651 -0.186,652 -0.241,653 -0.274,654 0.053,655 -0.065,656 0.109,657 -0.014,658 0.094,659 0.043,660 -0.135,661 0.082,662 -0.001,663 0.171,664 -0.067,665 0.11,666 0.991,667 2.216,668 0.824,669 8.346,670 1.005,671 1.126,672 1.913,673 3.659,674 0.661,675 2.996,676 3.332,677 3.689,678 4.007,679 4.263,680 4.304,681 4.394,682 4.443,683 4.466,684 4.19,685 3.769,686 0.633,687 230.29,688 2.996,689 4.533,690 5.416,691 6.319,692 7.22,693 8.131,694 9.038,695 9.951,696 10.859,697 11.773,698 6.5,702 1,708 1,714 2,715 3,716 1,720 4,722 11,733 1,739 2,741 31,743 11,744 1,745 19,747 33,748 13,749 9,750 3,751 3,756 3,757 6,767 2,770 2,772 9,773 4,790 1,793 14,794 4,795 2,796 4,802 2,808 0.333,809 2,822 1,829 3,833 2,859 1,864 1,868 17,869 1,876 3,878 2,893 6.5,898 2,901 8.5,902 5.867,903 3.806,904 1.843,907 2.424,908 1.366,909 1.009,910 2.555,911 9.05,912 3.239,913 3.902,914 4.598,915 5.259,916 5.867,917 6.218,918 6.582,919 6.912,920 7.213,921 7.047,922 1,923 30,924 6.265,926 2.665,927 0.026,929 7.647,931 12.072,933 9.985,936 2.147,937 36.5,938 0.002,941 141.253,942 69.691,943 49.683,945 22,948 69.691,949 163.253,950 49.683,951 10.883,952 9.661,953 61.326,954 16.786,955 37.903,956 4.815,957 141.253,959 141.253,960 119.373,961 22,964 117.711,965 45.542,968 11.806,969 90.782,970 16.786,972 141.253,973 71.682,974 69.691,977 141.253,978 30.379,979 39.312,981 71.682,982 141.253,983 71.682,984 69.691,986 0.577,987 0.368,988 0.218,989 0.119,990 15,991 6,992 0.03,993 1,994 2,995 1.286,996 2.867,997 127.817,998 0.286,999 14,1000 69.487,1005 10.66,1006 4.075,1007 1.617,1008 1.71,1009 71.682,1010 5.728,1011 4.503,1015 3.186,1017 32.897,1018 282.626,1019 24.5,1031 31.16,1032 34.907,1034 0.314,1035 0.726,1036 0.886,1037 0.917,1038 0.917,1039 0.917,1040 4.474,1041 0.441,1042 5.407,1043 2.185,1044 4.007,1045 4.585,1046 1.376,1047 6.282,1048 3.912,1049 5.698,1051 7.002,1052 0.696,1053 3.611,1054 4.559,1056 7.322,1057 3.494,1058 7.036,1059 -0.424,1060 8.705,1062 5.645,1063 6.927,1064 1.159,1065 10.487,1066 5.483,1067 8.419,1068 -0.66,1069 10.471,1070 -1.053,1071 6.111,1072 7.761,1074 12.364,1075 5.929,1076 9.839,1077 -0.857,1078 12.278,1079 -1.378,1080 7.606,1081 9.613,1082 0.963,1083 15.053,1084 7.391,1085 11.285,1086 -1.169,1087 14.113,1088 -2.05,1089 8.471,1090 10.832,1092 17.262,1093 8.235,1094 12.751,1095 -1.527,1096 15.967,1097 -3.141,1098 9.758,1099 12.487,1100 0.787,1101 19.793,1102 9.494,1103 3.27,1104 -1.63,1105 17.836,1106 -4.232,1107 10.801,1108 13.882,1110 22.139,1111 10.513,1112 2.677,1113 11.607,1114 19.716,1115 -4.546,1116 12.012,1117 15.461,1118 0.634,1119 24.615,1120 11.698,1121 2.122,1122 9.019,1123 21.604,1124 4.645,1125 13.132,1126 16.934,1128 27.018,1129 12.791,1130 1.906,1131 6.49,1132 23.499,1133 3.538,1134 14.318,1135 18.484,1136 0.504,1137 29.475,1138 13.951,1139 1.426,1140 5.506,1141 25.401,1142 2.967,1143 15.471,1144 19.991,1146 31.903,1147 15.076,1148 1.329,1149 3.316,1150 27.306,1151 2.439,1152 16.65,1153 21.531,1154 0.395,1155 34.354,1156 16.229,1157 0.945,1158 2.995,1159 29.216,1160 1.862,1161 17.818,1162 23.053,1164 36.794,1165 17.369,1166 2083,1167 3384,1168 12.83,1169 20.489,1170 28.192,1171 29.011,1172 29.915,1173 28.193,1174 28.23,1175 36.919,1176 3.44,1177 83.628,1178 26.744,1179 5.638,1180 5.425,1181 6.606,1182 5.329,1183 5.27,1184 7.645,1185 1.72,1186 19.167,1187 5.175,1188 6.478,1189 1.484,1190 1.527,1191 1.574,1192 1.484,1193 1.486,1194 1.943,1195 0.181,1196 4.401,1197 1.408,1198 4.098,1199 4.12,1200 4.07,1201 4.014,1202 5.172,1203 4.025,1204 3.703,1205 3.739,1206 3.605,1207 3.58,1208 4.841,1209 3.579,1210 3.306,1211 3.373,1212 3.165,1213 3.147,1214 4.699,1215 3.141,1216 3.26,1217 3.325,1218 3.125,1219 3.003,1220 4.388,1221 3.023,1222 3.019,1223 3.098,1224 2.874,1225 2.766,1226 4.001,1227 2.777,1228 2.815,1229 2.918,1230 2.585,1231 2.594,1232 3.733,1233 2.576,1234 2.657,1235 2.75,1236 2.492,1237 2.451,1238 3.468,1239 2.462,1240 2.574,1241 2.618,1242 2.409,1243 2.318,1244 3.233,1245 2.329,1246 0.247,1247 0.18,1248 0.364,1249 0.223,1250 0.172,1251 4.694,1252 0.244,1253 3.425,1254 0.045,1255 6.924,1256 0.611,1257 4.241,1258 0.167,1259 3.27,1260 4.645,1261 0.86,1262 11.607,1263 3.175,1264 2.043,1265 2.025,1266 2.108,1267 2.147,1268 1.326,1269 2.135,1270 1.687,1271 1.649,1272 1.887,1273 1.846,1274 1.116,1275 1.859,1276 1.28,1277 1.221,1278 1.575,1279 1.534,1280 0.638,1281 1.545,1282 1.206,1283 1.139,1284 1.489,1285 1.474,1286 0.573,1287 1.486,1288 0.942,1289 0.873,1290 1.213,1291 1.232,1292 0.362,1293 1.214,1294 0.807,1295 0.718,1296 1.141,1297 1.124,1298 0.143,1299 1.156,1300 0.621,1301 0.543,1302 0.964,1303 0.905,1305 0.933,1306 0.545,1307 0.464,1308 0.805,1309 0.744,1311 0.762,1312 3.664,1314 4.99,1316 6.558,1318 8.239,1320 9.978,1322 1.643,1326 6.216,1328 2.622,1330 10.892,1340 19.633,1341 48.171,1342 111.541,1343 136.07,1344 140.825,1345 140.825,1346 140.825,1347 20.059,1348 6.625,1349 57.37,1350 57.37,1351 18,1352 12.287,1353 3.585,1354 2.7,1355 23.485,1356 40,1357 35,1358 0.323,1359 120.235,1360 200.96,1361 285.133,1362 5535,1364 11.828,1365 0.696,1366 0.57,1367 11.828,1368 9.694,1369 8.309,1370 0.437,1371 0.299,1372 5.589,1373 7.933,1374 5.455,1375 4.509,1376 8.309,1377 5.689,1378 7.24,1379 0.268,1380 0.152,1381 7.24,1382 4.116,1383 6.619,1384 0.17,1385 0.08,1386 6.619,1387 3.109,1388 5.917,1389 0.11,1390 0.042,1391 5.917,1392 2.275,1393 4.896,1394 0.07,1395 0.023,1396 4.896,1397 1.609,1398 0.466,1399 52.574,1400 0.279,1401 16.417,1402 1.016,1403 92,1404 270.428,1405 101.613,1406 255.392,1407 357.7,1408 242,1409 112,1410 269.662,1411 122.142,1412 272.211,1413 404.6,1414 256,1415 6.218}
{0 CHEMBL134240,1 1.678,2 6.063,3 2.988,4 8.926,5 64.171,6 8.693,7 0.611,8 3.436,9 3.539,10 3.138,11 3.041,12 4.544,13 3.024,14 3.961,15 4.098,16 3.547,17 3.452,18 5.047,19 3.412,20 4.198,21 4.378,22 3.617,23 3.557,24 5.249,25 3.496,26 4.152,27 4.352,28 3.452,29 3.409,30 5.281,31 3.336,32 4.017,33 4.234,34 3.284,35 3.224,36 5.103,37 3.121,38 3.783,39 4.02,40 2.772,41 2.981,42 4.651,43 2.789,44 3.471,45 3.755,46 2.455,47 2.551,48 4.285,49 2.299,50 2.801,51 3.12,52 1.594,53 1.832,54 3.473,55 1.512,56 0.041,57 0.383,58 4.391,59 2.31,60 5.729,61 2.784,62 0.143,63 0.612,64 9.264,65 4.276,66 11.434,67 5.246,68 0.176,69 0.758,70 15.486,71 5.561,72 17.035,73 6.938,74 0.282,75 0.744,76 14.092,77 4.683,78 28.257,79 5.802,80 0.273,81 0.596,82 13.504,83 4.32,84 28.643,85 5.414,86 0.169,87 0.429,88 13.066,89 4.175,90 18.332,91 5.32,92 0.184,93 0.282,94 12.358,95 3.434,96 16.591,97 4.61,98 0.078,99 0.124,100 7.623,101 1.84,102 8.529,103 2.501,104 5,105 26,106 0.328,107 0.735,108 0.838,109 0.873,110 0.873,111 0.873,112 2.857,113 0.94,114 -3.95,115 -3.9,116 -3.7,121 44.4,123 2,127 1,144 3,145 2,146 2,148 1,149 1,165 1,166 1,167 1,176 4,179 1,180 5,185 2,187 6,189 2,192 4,197 2,200 6,203 2,206 3,208 2,209 2,211 2,214 3,216 2,219 3,224 2,227 4,229 2,239 3,244 1,251 2,281 180,282 10.861,283 10.861,284 10.861,285 10.861,286 10.861,287 9.497,288 10.476,289 6.322,290 11.195,291 8.883,292 8.883,293 8.883,294 8.883,295 8.883,296 6.781,297 9.472,298 3.008,299 9.488,300 3.077,301 1.001,302 0.472,303 0.296,304 0.296,305 0.296,306 3.532,308 1,311 1,312 1,313 213,314 1.732,318 78.746,322 87.143,325 0.953,326 14.907,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 34.333,338 97,339 4.639,340 3.379,341 6.776,342 4.185,343 3.215,344 4.575,345 0.86,346 11.07,347 3.121,348 3.98,349 2.96,350 6.005,351 3.558,352 2.606,353 3.515,355 8.481,356 2.48,357 3.478,358 2.567,359 5.281,360 3.023,361 2.105,362 2.878,364 6.337,365 1.939,366 3.453,367 2.292,368 4.95,369 2.962,370 2.066,371 2.787,373 5.765,374 1.748,375 2.594,376 1.673,377 4.135,378 2.387,379 1.423,380 1.627,382 3.384,383 1.362,384 2.499,385 1.541,386 3.691,387 2.206,388 1.256,389 1.499,391 3.059,392 1.182,393 1.962,394 0.967,395 3.454,396 1.717,397 0.774,398 0.895,400 1.872,401 0.724,402 1.49,403 0.568,404 2.941,405 1.058,406 0.169,407 0.212,409 0.417,410 0.138,411 1.007,412 0.059,413 2.528,414 0.605,415 -0.295,416 -0.358,418 -0.72,419 -0.239,420 0.649,421 -0.332,422 2.347,423 0.184,424 -0.737,425 -0.864,427 -1.937,428 -0.576,429 0.347,430 -0.616,431 2,432 0.103,433 -0.841,434 -1.02,436 -2.166,437 -0.793,438 0.196,439 -0.811,440 1.835,441 -0.125,442 -1,443 -1.253,445 -2.653,446 -0.892,447 -0.059,448 -1.101,449 1.514,450 -0.495,451 -1.359,452 -1.785,454 -3.623,455 -1.189,456 -0.282,457 -1.375,458 1.331,459 -0.652,460 -1.552,461 -1.909,463 -4.52,464 -1.468,465 -0.5,466 -1.66,467 1.114,468 -0.891,469 -1.831,470 -2.198,472 -5.304,473 -1.689,474 7.848,475 0.49,476 0.418,477 0.026,478 21.5,479 1.344,480 11,481 0.688,482 10.5,483 0.656,484 10.916,485 0.682,486 16.752,487 0.62,488 12.237,489 0.765,490 4.015,491 0.251,492 3.739,493 0.234,494 0.142,496 0.382,501 0.829,502 1.058,503 0.563,504 0.813,505 0.931,506 0.772,507 0.858,508 1.073,509 0.612,510 0.848,511 0.628,512 0.834,513 1.022,514 1.216,515 0.879,516 1.002,517 0.908,518 0.936,519 1.165,520 1.053,521 0.94,522 0.944,523 1.233,524 1.025,525 1.126,526 0.961,527 0.901,528 0.974,529 1.075,530 1.051,531 1.108,532 0.912,533 1.291,534 1.15,535 1.225,536 1.226,537 0.511,538 0.796,539 1.262,540 1.192,541 0.684,542 1.116,543 0.916,544 0.613,545 1.783,546 1.093,547 1.092,548 1.001,549 3,551 2,552 1.25,553 1.351,554 0.319,555 0.2,556 0.047,557 0.02,559 1842,560 5485,561 2.135,562 40.7,563 2,564 5,567 2,569 2,572 1.557,573 2,574 2.651,575 0.451,579 1,582 45.309,583 1.678,584 3.754,585 4.282,586 4.459,587 4.459,588 4.459,589 2.149,590 3.5,591 3.977,592 2.669,593 320.333,594 6.721,595 2647.88,597 1,599 1,600 128.382,601 1.406,602 3.933,603 0.167,605 0.077,606 0.046,607 0.064,608 0.021,609 0.025,610 0.012,611 0.02,613 0.433,614 1,615 1,616 0.625,617 62.098,618 -0.094,619 0.057,620 0.006,621 0.054,622 -0.153,623 0.067,624 0.036,625 -0.05,626 0.065,627 0.062,628 0.097,629 0.059,630 -0.092,631 -0.226,632 -0.018,633 -0.068,634 -0.026,635 -0.004,636 -0.107,637 0.025,638 -0.129,639 -0.072,640 -0.106,641 -0.15,642 -0.047,643 0.034,644 -0.01,645 -0.052,646 0.018,647 -0.12,648 -0.157,649 -0.056,650 -0.167,651 -0.12,652 -0.242,653 -0.187,654 0.35,655 -0.054,656 0.129,657 -0.068,658 0.207,659 0.045,660 0.021,661 0.059,662 0.023,663 0.125,664 -0.008,665 0.243,666 0.988,667 2.13,668 0.875,669 7.5,670 1.01,671 1.119,672 2.721,673 7.402,674 0.709,675 2.944,676 3.296,677 3.611,678 3.912,679 4.205,680 4.22,681 4.304,682 4.357,683 4.382,684 4.007,685 3.679,686 0.675,687 234.7,688 2.944,689 4.489,690 5.361,691 6.26,692 7.152,693 8.055,694 8.955,695 9.859,696 10.761,697 11.666,698 7.4,702 1,708 1,714 2,715 3,716 1,720 4,722 11,733 1,739 1,740 1,741 27,743 11,744 1,745 18,747 29,748 12,749 9,750 3,751 3,756 3,757 6,758 1,767 2,770 2,772 9,773 3,790 1,793 11,794 3,795 2,796 4,797 1,802 2,808 0.333,809 1,822 1,829 3,833 2,859 1,865 1,868 16,869 1,876 3,878 1,892 1,893 3.7,898 1,901 8,902 4.843,903 3.444,904 1.663,907 2.409,908 1.37,909 1.036,910 2.319,911 8.914,912 3.199,913 3.882,914 4.543,915 5.193,916 5.836,917 6.168,918 6.529,919 6.868,920 7.167,921 6.837,922 1,923 27,924 5.89,926 2.553,927 0.026,929 7.694,931 11.323,933 9.571,936 2.194,937 35.111,938 0.003,941 105.94,942 57.065,943 49.683,944 39.149,945 11,948 57.065,949 156.088,950 49.683,952 9.661,953 61.326,954 16.786,955 25.16,956 4.815,957 105.94,958 39.149,959 105.94,960 106.748,961 11,962 39.149,964 82.398,965 34.542,968 11.806,969 78.156,970 55.934,972 105.94,973 60.683,974 96.213,977 105.94,978 28.636,979 28.429,981 99.831,982 105.94,983 60.683,984 96.213,986 0.589,987 0.355,988 0.201,989 0.118,990 15,991 6,994 2,995 1.286,996 2.802,997 116.95,998 0.286,999 14,1000 64,1005 10.027,1006 3.7,1007 1.609,1008 1.749,1009 60.683,1010 5.534,1011 4.457,1015 3.125,1017 32.897,1018 262.836,1019 23.5,1031 27.273,1032 30.226,1034 0.353,1035 0.79,1036 0.901,1037 0.938,1038 0.938,1039 0.938,1040 4.44,1041 0.169,1042 5.361,1043 1.872,1044 3.97,1045 4.564,1046 0.908,1047 6.213,1048 3.853,1049 5.674,1050 -0.295,1051 6.944,1052 0.417,1053 3.611,1054 4.559,1056 7.177,1057 3.418,1058 7.012,1059 -0.737,1060 8.629,1061 -0.72,1062 5.595,1063 6.9,1064 0.739,1065 10.321,1066 5.404,1067 8.389,1068 -0.841,1069 10.374,1070 -1.937,1071 6.043,1072 7.707,1074 12.106,1075 5.809,1076 9.799,1077 -1,1078 12.157,1079 -2.166,1080 7.521,1081 9.554,1082 0.593,1083 14.78,1084 7.28,1085 11.233,1086 -1.359,1087 13.967,1088 -2.653,1089 8.353,1090 10.736,1092 16.91,1093 8.085,1094 12.685,1095 -1.552,1096 15.796,1097 -3.623,1098 9.63,1099 12.387,1100 0.469,1101 19.416,1102 9.347,1103 3.215,1104 -1.831,1105 17.64,1106 -4.52,1107 10.644,1108 13.751,1110 21.696,1111 10.336,1112 2.606,1113 11.07,1114 19.495,1115 -5.304,1116 11.843,1117 15.322,1118 0.366,1119 24.139,1120 11.515,1121 2.105,1122 8.481,1123 21.36,1124 4.575,1125 12.939,1126 16.77,1128 26.485,1129 12.585,1130 2.066,1131 6.337,1132 23.232,1133 3.515,1134 14.112,1135 18.309,1136 0.283,1137 28.904,1138 13.734,1139 1.423,1140 5.765,1141 25.11,1142 2.878,1143 15.245,1144 19.795,1146 31.28,1147 14.84,1148 1.256,1149 3.384,1150 26.993,1151 2.787,1152 16.409,1153 21.322,1154 0.217,1155 33.689,1156 15.979,1157 0.774,1158 3.059,1159 28.88,1160 1.627,1161 17.559,1162 22.826,1164 36.079,1165 17.101,1166 1814,1167 3209,1168 12.137,1169 19.131,1170 27.3,1171 28.021,1172 28.246,1173 27.348,1174 27.228,1175 35.979,1176 1.72,1177 80.768,1178 25.388,1179 5.583,1180 5.379,1181 6.457,1182 5.273,1183 5.215,1184 7.575,1185 1.72,1186 18.604,1187 5.121,1188 6.187,1189 1.517,1190 1.557,1191 1.569,1192 1.519,1193 1.513,1194 1.999,1195 0.096,1196 4.487,1197 1.41,1198 4.095,1199 4.118,1200 4.117,1201 4.021,1202 5.177,1203 4.027,1204 3.699,1205 3.735,1206 3.751,1207 3.589,1208 4.888,1209 3.584,1210 3.296,1211 3.36,1212 3.374,1213 3.163,1214 4.75,1215 3.153,1216 3.087,1217 3.147,1218 3.08,1219 2.903,1220 4.339,1221 2.915,1222 2.832,1223 2.921,1224 2.816,1225 2.619,1226 3.798,1227 2.604,1228 2.716,1229 2.826,1230 2.617,1231 2.496,1232 3.758,1233 2.507,1234 2.597,1235 2.621,1236 2.456,1237 2.345,1238 3.57,1239 2.356,1240 2.042,1241 2.183,1242 2.219,1243 1.727,1244 3.17,1245 1.708,1246 0.258,1247 0.188,1248 0.376,1249 0.233,1250 0.179,1251 4.639,1252 0.254,1253 3.379,1254 0.048,1255 6.776,1256 0.615,1257 4.185,1258 0.173,1259 3.215,1260 4.575,1261 0.86,1262 11.07,1263 3.121,1264 2.045,1265 2.026,1266 2.105,1267 2.14,1268 1.325,1269 2.132,1270 1.684,1271 1.647,1272 1.875,1273 1.831,1274 1.114,1275 1.849,1276 1.273,1277 1.22,1278 1.466,1279 1.471,1280 0.629,1281 1.479,1282 1.001,1283 0.952,1284 1.209,1285 1.242,1286 0.35,1287 1.221,1288 0.825,1289 0.743,1290 1.144,1291 1.125,1292 0.196,1293 1.159,1294 0.661,1295 0.556,1296 1.04,1297 0.985,1299 1.019,1300 0.543,1301 0.492,1302 0.784,1303 0.719,1305 0.742,1306 0.054,1308 0.564,1309 0.423,1311 0.489,1312 3.611,1314 4.949,1316 6.512,1318 8.181,1320 9.905,1323 5.959,1326 6.13,1328 2.639,1330 5.519,1340 18.219,1341 45.309,1342 101.362,1343 115.627,1344 120.382,1345 120.382,1346 120.382,1347 18.746,1348 6.506,1349 48.14,1350 48.14,1351 18,1352 12.185,1353 3.585,1354 2.7,1355 21.646,1356 38,1357 30,1358 0.323,1359 114.979,1360 190.08,1361 272.309,1362 4766,1363 3.7,1364 11.121,1365 0.695,1366 0.589,1367 11.621,1368 9.42,1369 7.754,1370 0.431,1371 0.313,1372 5.231,1373 7.222,1374 5.105,1375 4.174,1376 8.043,1377 5.637,1378 7.145,1379 0.275,1380 0.168,1381 7.554,1382 4.359,1383 6.234,1384 0.173,1385 0.086,1386 6.497,1387 3.099,1388 5.352,1389 0.109,1390 0.045,1391 5.571,1392 2.227,1393 4.685,1394 0.071,1395 0.025,1396 4.996,1397 1.652,1398 0.468,1399 51.305,1400 0.287,1401 15.561,1402 1.008,1403 88,1404 248.896,1405 110.254,1406 271.344,1407 368.1,1408 254,1409 106,1410 254.979,1411 122.91,1412 267.395,1413 396.95,1414 253,1415 5.008}
{0 CHEMBL134251,1 1.487,2 7.714,3 2.837,4 8.046,5 83.438,6 6.578,7 0.261,8 3.873,9 4.009,10 3.342,11 3.331,12 4.864,13 3.303,14 4.475,15 4.692,16 3.778,17 3.784,18 5.428,19 3.742,20 4.689,21 4.869,22 3.894,23 4.022,24 5.619,25 3.947,26 4.956,27 5.207,28 3.779,29 4.087,30 5.807,31 3.962,32 4.86,33 5.112,34 3.62,35 3.987,36 5.721,37 3.824,38 4.837,39 5.138,40 3.371,41 3.768,42 5.629,43 3.588,44 4.511,45 4.787,46 3.191,47 3.488,48 5.381,49 3.331,50 4.387,51 4.683,52 2.894,53 3.223,54 5.343,55 3.062,56 0.025,57 0.648,58 10.659,59 3.893,60 7.897,61 5.787,62 0.422,63 1.054,64 20.56,65 6.426,66 31.849,67 9.874,68 0.132,69 1.319,70 24.698,71 9.06,72 23.381,73 13.249,74 0.432,75 1.48,76 33.449,77 10.447,78 43.704,79 15.937,80 0.231,81 1.329,82 29.648,83 10.557,84 33.575,85 15.792,86 0.432,87 1.102,88 30.031,89 9.261,90 48.3,91 14.113,92 0.294,93 0.845,94 21.504,95 6.601,96 28.851,97 10.1,98 0.393,99 0.684,100 19.562,101 4.986,102 42.509,103 7.964,104 40,105 36,106 0.263,107 0.576,108 0.79,109 0.855,110 0.855,111 0.855,112 3.105,113 0.96,114 -3.35,115 -3.33,116 -3.19,121 36.4,122 2,123 1,125 1,126 3,127 1,130 1,144 2,145 2,146 2,161 1,176 6,179 2,180 7,183 2,187 7,192 9,200 6,206 6,211 2,214 4,218 1,219 6,224 3,227 3,231 1,232 2,237 1,239 2,243 1,244 2,247 1,249 2,255 1,259 1,281 480,282 13.626,283 13.626,284 13.626,285 13.626,286 13.626,287 12.758,288 22.575,289 7.485,290 14.007,291 11.205,292 11.205,293 11.205,294 11.205,295 11.205,296 9.728,297 31.296,298 3.425,299 11.76,300 3.973,301 2.209,302 1.001,303 0.631,304 0.631,305 0.631,306 3.771,310 1,311 1,312 1,313 343,314 3.391,317 71.881,318 41.47,320 58.074,321 62.708,324 87.532,325 1.184,326 15.907,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 45.5,338 162,339 4.842,340 3.976,341 8.006,342 4.717,343 3.74,344 4.267,345 2.186,346 15.311,347 3.66,348 4.169,349 3.666,350 6.308,351 3.826,352 2.863,353 3.548,354 0.966,355 9.361,356 2.757,357 3.674,358 2.997,359 6.177,360 3.397,361 2.456,362 2.879,363 0.693,364 8.495,365 2.299,366 3.475,367 2.761,368 5.895,369 3.301,370 2.368,371 2.639,372 0.366,373 7.874,374 2.201,375 3.432,376 2.598,377 4.956,378 3.11,379 2.144,380 2.535,382 5.702,383 2.05,384 2.796,385 1.779,386 4.795,387 2.494,388 1.529,389 1.867,391 4.564,392 1.473,393 2.589,394 1.73,395 4.388,396 2.36,397 1.401,398 1.594,400 3.939,401 1.335,402 1.841,403 1.108,404 3.967,405 1.76,406 0.8,407 0.819,409 2.097,410 0.765,411 1.525,412 1.015,413 3.384,414 1.339,415 0.424,416 0.452,418 0.793,419 0.384,420 1.391,421 0.687,422 3.006,423 1.077,424 0.098,425 0.115,427 0.18,428 0.094,429 0.925,430 0.218,431 2.626,432 0.689,433 -0.259,434 -0.268,436 -0.657,437 -0.244,438 0.703,439 -0.027,440 2.574,441 0.465,442 -0.519,443 -0.647,445 -1.375,446 -0.505,447 0.547,448 -0.444,449 2.427,450 0.148,451 -0.828,452 -1,454 -2.293,455 -0.798,456 0.043,457 -0.648,458 2.178,459 -0.048,460 -1,461 -1,463 -2.799,464 -0.946,466 -0.794,467 2.056,468 -0.16,469 -1.149,470 -1.373,472 -2.99,473 -1.126,474 9.867,475 0.47,476 0.792,477 0.038,478 22.75,479 1.083,480 8.5,481 0.405,482 14.25,483 0.679,484 20.707,485 0.986,486 24.333,487 0.553,488 16.181,489 0.771,490 4.368,491 0.208,492 5.512,493 0.262,494 0.287,495 0.051,496 0.385,501 0.823,502 1.66,503 0.89,504 1.335,505 0.636,506 1.146,507 0.743,508 0.73,509 0.754,510 0.647,511 0.391,512 0.671,513 0.928,514 1.451,515 1.049,516 1.344,517 0.667,518 1.235,519 1.267,520 0.948,521 1.159,522 0.971,523 0.931,524 1.033,525 0.659,526 1.269,527 1.081,528 1.36,529 0.711,530 1.296,531 1.088,532 0.827,533 0.916,534 0.865,535 1.137,536 0.877,537 1.015,538 1.078,539 1.013,540 1.112,541 0.978,542 1.079,543 1.534,544 0.808,545 1.118,546 0.821,547 2.168,548 0.903,549 6,551 4,552 3.208,553 1.614,554 0.917,555 0.573,556 0.325,557 0.168,558 0.045,559 3558,560 8187,561 1.979,562 52.3,563 6,564 13,565 1,567 1,569 2,572 1.638,573 1.762,574 2.906,575 -0.291,576 1,577 1,579 1,582 65.418,583 1.487,584 3.25,585 4.459,586 4.828,587 4.828,588 4.828,589 2.429,590 4.107,591 4.361,592 3.023,593 634.923,594 7.506,595 6372.67,597 1,599 1,600 240.215,601 1.772,602 4.262,603 0.261,605 0.111,606 0.082,607 0.049,608 0.035,609 0.029,610 0.02,611 0.015,612 0.009,613 0.612,614 0.83,615 1,616 1.353,617 91.794,618 -0.009,619 -0.33,620 0.078,621 -0.139,622 -0.052,623 -0.036,624 0.258,625 0.458,626 0.251,627 0.377,628 0.245,629 0.33,630 -0.062,631 -0.266,632 -0.088,633 -0.202,634 0.02,635 -0.158,636 -0.211,637 0.081,638 -0.171,639 0.017,640 -0.085,641 -0.056,642 0.049,643 -0.26,644 -0.15,645 -0.313,646 0.01,647 -0.267,648 -0.015,649 0.006,650 0.065,651 0.063,652 -0.077,653 0.071,654 0.057,655 -0.167,656 -0.029,657 -0.165,658 0.02,659 -0.122,660 -0.096,661 0.043,662 -0.078,663 0.021,664 -0.161,665 -0.025,666 2.088,667 4.506,668 0.571,669 14.327,670 0.995,671 1.138,672 2.118,673 4.487,674 0.626,675 3.178,676 3.611,677 3.97,678 4.317,679 4.554,680 4.682,681 4.868,682 4.92,683 4.844,684 4.7,685 4.582,686 0.585,687 289.42,688 3.178,689 4.779,690 5.687,691 6.637,692 7.574,693 8.533,694 9.483,695 10.446,696 11.403,697 12.369,698 6.8,701 1,704 1,705 1,715 2,720 4,722 6,736 1,737 1,741 44,743 7,744 1,745 23,747 46,748 16,749 6,750 4,751 2,756 3,757 6,763 2,764 1,766 1,767 1,770 1,772 7,773 9,777 1,782 1,786 1,789 1,790 1,793 23,794 5,795 1,796 5,802 3,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 5,868 21,876 2,877 1,878 1,880 1,881 2,882 1,893 4.5,896 1,898 1,901 11.917,902 9.483,903 4.514,904 2.6,907 1.327,908 1.189,909 0.932,910 3.413,911 8.334,912 3.332,913 3.922,914 4.457,915 5.003,916 5.526,917 5.822,918 6.151,919 6.374,920 6.421,921 6.291,922 1,923 39,924 7.782,926 3.304,927 0.026,929 7.639,931 15.175,933 12.843,936 2.139,937 44.917,938 0.001,941 258.964,942 87.566,943 24.259,945 36.145,948 87.566,949 295.109,950 24.259,951 42.84,952 22.651,953 18.952,954 25.145,955 31.62,956 18.534,957 247.193,959 258.964,960 111.825,961 36.145,964 235.422,965 59.687,968 43.426,969 68.4,972 258.964,973 60.404,974 87.566,977 258.964,978 25.774,979 68.041,980 18.011,981 36.145,982 258.964,983 60.404,984 87.566,986 0.608,987 0.378,988 0.202,989 0.113,990 20,991 10,992 0.043,993 2,994 2,995 1.333,996 3.084,997 174.822,998 0.333,999 12,1000 92.239,1005 14.668,1006 4.887,1007 2.04,1009 60.404,1010 4.181,1015 4.16,1017 18.011,1018 406.935,1019 27,1024 11.506,1028 -0.422,1031 43.796,1032 50.066,1034 0.272,1035 0.595,1036 0.817,1037 0.884,1038 0.884,1039 0.884,1040 4.668,1041 0.8,1042 5.771,1043 3.939,1044 4.29,1045 4.605,1046 2.466,1047 6.763,1048 4.204,1049 5.911,1050 0.424,1051 7.459,1052 2.097,1053 4.29,1054 4.691,1055 1.905,1056 8.217,1057 4.19,1058 7.279,1059 0.098,1060 9.26,1061 0.793,1062 6.107,1063 6.758,1064 3.531,1065 11.39,1066 5.961,1067 8.682,1068 -0.259,1069 11.131,1070 0.18,1071 6.899,1072 7.588,1073 3.612,1074 13.697,1075 6.749,1076 10.12,1077 -0.519,1078 13.05,1079 -0.657,1080 8.317,1081 9.255,1082 4.913,1083 16.526,1084 8.138,1085 11.583,1086 -0.828,1087 15.005,1088 -1.375,1089 9.43,1090 10.404,1091 5.293,1092 19.127,1093 9.245,1094 13.067,1095 -1,1096 16.987,1097 -2.293,1098 10.75,1099 11.936,1100 6.388,1101 21.877,1102 10.544,1103 3.74,1104 -1.149,1105 18.99,1106 -2.799,1107 11.987,1108 13.233,1109 6.931,1110 24.568,1111 11.769,1112 2.863,1113 15.311,1114 21.011,1115 -2.99,1116 13.291,1117 14.714,1118 7.902,1119 27.301,1120 13.054,1121 2.456,1122 9.361,1123 23.044,1124 4.267,1125 14.575,1126 16.083,1127 8.539,1128 30.019,1129 14.322,1130 2.368,1131 8.495,1132 25.088,1133 3.548,1134 15.881,1135 17.542,1136 9.436,1137 32.748,1138 15.61,1139 2.144,1140 7.874,1141 27.14,1142 2.879,1143 17.185,1144 18.948,1145 10.13,1146 35.473,1147 16.894,1148 1.529,1149 5.702,1150 29.198,1151 2.639,1152 18.495,1153 20.399,1154 10.981,1155 38.202,1156 18.185,1157 1.401,1158 4.564,1159 31.262,1160 2.535,1161 19.807,1162 21.824,1163 11.71,1164 40.929,1165 19.476,1166 3642,1167 5608,1168 14.334,1169 27.54,1170 35.989,1171 37.086,1172 39.406,1173 35.633,1174 35.646,1175 41.431,1176 8.422,1177 116.631,1178 34.034,1179 5.806,1180 5.976,1181 7.557,1182 5.782,1183 5.74,1184 7.267,1185 3.889,1186 23.825,1187 5.66,1188 13.263,1189 1.565,1190 1.612,1191 1.713,1192 1.549,1193 1.55,1194 1.801,1195 0.366,1196 5.071,1197 1.48,1198 4.097,1199 4.134,1200 4.047,1201 4.005,1202 7.435,1203 4.011,1204 3.738,1205 3.781,1206 3.658,1207 3.602,1208 4.823,1209 3.605,1210 3.522,1211 3.587,1212 3.43,1213 3.21,1214 4.454,1215 3.255,1216 3.313,1217 3.409,1218 3.139,1219 3.1,1220 4.23,1221 3.094,1222 3.268,1223 3.363,1224 3.075,1225 3.058,1226 4.05,1227 3.051,1228 3.056,1229 3.145,1230 2.829,1231 2.856,1232 3.925,1233 2.832,1234 2.976,1235 3.089,1236 2.735,1237 2.751,1238 3.878,1239 2.713,1240 2.948,1241 3.006,1242 2.659,1243 2.679,1244 3.646,1245 2.684,1246 0.211,1247 0.173,1248 0.348,1249 0.205,1250 0.163,1251 4.842,1252 0.186,1253 3.976,1254 0.095,1255 8.006,1256 0.666,1257 4.717,1258 0.159,1259 3.74,1260 4.267,1261 2.186,1262 15.311,1263 3.66,1264 1.925,1265 1.907,1266 2.023,1267 2.013,1268 1.318,1269 2.014,1270 1.644,1271 1.591,1272 1.851,1273 1.836,1274 1.097,1275 1.838,1276 1.542,1277 1.461,1278 1.793,1279 1.777,1280 1.036,1281 1.792,1282 1.4,1283 1.328,1284 1.69,1285 1.725,1286 0.708,1287 1.716,1288 1.277,1289 1.186,1290 1.617,1291 1.533,1292 0.681,1293 1.567,1294 1.076,1295 0.985,1296 1.457,1297 1.324,1298 0.569,1299 1.369,1300 1.008,1301 0.893,1302 1.435,1303 1.288,1304 0.511,1305 1.348,1306 0.869,1307 0.823,1308 1.157,1309 1.197,1310 0.343,1311 1.17,1312 3.85,1314 5.252,1315 3.045,1316 6.853,1317 5.638,1318 8.553,1319 7.921,1320 10.315,1322 10.18,1328 2.207,1329 2.5,1330 5.393,1332 0.377,1333 4.744,1334 0.091,1340 25.762,1341 65.418,1342 143.022,1343 196.176,1344 212.441,1345 212.441,1346 212.441,1347 31.668,1348 7.007,1349 44.81,1350 44.81,1351 16,1352 12.85,1353 3,1354 2.322,1355 32,1356 58,1357 66,1358 0.294,1359 158.734,1360 277.4,1361 379.07,1362 8210,1364 15.361,1365 0.731,1366 0.636,1367 15.361,1368 13.357,1369 9.88,1370 0.43,1371 0.32,1372 7.228,1373 9.41,1374 6.838,1375 5.747,1376 9.88,1377 7.36,1378 9.635,1379 0.268,1380 0.178,1381 9.635,1382 6.407,1383 8.526,1384 0.164,1385 0.097,1386 8.526,1387 5.033,1388 7.223,1389 0.098,1390 0.053,1391 7.223,1392 3.958,1393 5.848,1394 0.062,1395 0.029,1396 5.848,1397 2.741,1398 0.435,1399 62.513,1400 0.264,1401 20.022,1402 0.889,1403 118,1404 307.094,1405 130.692,1406 292.844,1407 405.66,1408 274,1409 147,1410 307.247,1411 160.308,1412 312.935,1413 464.72,1414 290,1415 5}
{0 CHEMBL13426,1 1.447,2 17.345,3 6.107,4 37.3,5 130.564,6 6.549,7 0.333,8 4.239,9 4.371,10 3.766,11 3.776,12 5.119,13 3.668,14 4.828,15 5.047,16 3.999,17 4.141,18 5.593,19 3.985,20 4.992,21 5.216,22 3.971,23 4.222,24 5.725,25 4.014,26 5.13,27 5.438,28 3.948,29 4.241,30 5.726,31 3.988,32 4.926,33 5.163,34 3.802,35 4.126,36 5.647,37 3.92,38 4.956,39 5.231,40 3.703,41 4.122,42 5.567,43 3.862,44 4.803,45 5.067,46 3.705,47 4.031,48 5.418,49 3.77,50 4.858,51 5.148,52 3.61,53 4.004,54 5.423,55 3.714,56 0.075,57 0.931,58 18.269,59 7.365,60 11.086,61 9.724,62 0.28,63 1.493,64 37.753,65 12.414,66 21.374,67 15.824,68 0.488,69 1.609,70 42.63,71 14.906,72 30.354,73 18.907,74 0.274,75 1.757,76 47.801,77 16.985,78 28.046,79 21.622,80 0.39,81 1.467,82 39.671,83 13.734,84 28.89,85 17.137,86 0.291,87 1.543,88 42.021,89 14.339,90 22.4,91 18.561,92 0.207,93 1.34,94 35.171,95 13.144,96 17.668,97 16.349,98 0.295,99 1.386,100 45.992,101 14.499,102 19.479,103 16.743,104 25,105 37,106 0.234,107 0.429,108 0.626,109 0.665,110 0.688,111 0.688,112 3.406,113 1.294,114 -3.98,115 -3.93,116 -3.73,121 34.3,123 5,126 4,127 6,144 4,154 4,176 6,180 4,187 5,191 2,192 4,200 6,206 2,214 5,219 2,227 4,232 4,239 6,244 2,251 4,256 4,264 5,269 4,277 4,281 1636,282 19.397,283 19.397,284 19.397,285 19.397,286 19.397,287 18.209,288 23.523,289 12.377,290 20.031,291 14.916,292 14.916,293 14.916,294 14.916,295 14.916,296 13.072,297 29.993,298 6.056,299 15.86,300 4.619,301 3.412,302 2.194,303 1.948,304 1.806,305 1.806,306 4.075,312 1,313 1032,314 4.583,317 213.125,325 2.792,326 11.975,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 61,338 503,339 4.124,340 4.249,341 5.675,342 3.75,343 2.763,344 3.735,345 3.272,346 7.971,347 2.728,348 4.124,349 4.249,350 5.675,351 3.75,352 2.763,353 3.735,354 3.272,355 7.971,356 2.728,357 3.371,358 2.996,359 5.03,360 3.179,361 2.245,362 2.507,363 0.916,364 6.084,365 2.098,366 3.371,367 2.996,368 5.03,369 3.178,370 2.243,371 2.507,372 0.916,373 6.084,374 2.097,375 2.955,376 2.691,377 4.338,378 2.891,379 1.928,380 1.974,381 0.172,382 4.346,383 1.862,384 2.921,385 2.688,386 4.338,387 2.713,388 1.806,389 1.956,390 0.172,391 4.343,392 1.637,393 2.864,394 2.251,395 3.92,396 2.673,397 1.726,398 1.886,400 3.819,401 1.622,402 2.66,403 2.245,404 3.704,405 2.527,406 1.577,407 1.665,409 3.347,410 1.48,411 2.35,412 1.794,413 3.408,414 2.143,415 1.275,416 1.34,418 2.673,419 1.075,420 2.217,421 1.723,422 3.282,423 1.815,424 0.906,425 1.103,427 1.951,428 0.805,429 2.186,430 1.638,431 3.264,432 1.739,433 0.745,434 1.057,436 1.752,437 0.739,438 1.906,439 1.055,440 3.041,441 1.642,442 0.692,443 0.859,445 1.605,446 0.648,447 1.468,448 0.76,449 2.705,450 1.304,451 0.392,452 0.418,454 0.849,455 0.349,456 1.034,457 0.756,458 2.449,459 0.89,460 -0.037,461 -0.039,463 -0.082,464 -0.033,465 0.832,466 0.237,467 2.358,468 0.663,469 -0.288,470 -0.314,472 -0.744,473 -0.272,474 14.633,475 0.505,476 0.561,477 0.019,478 25.5,479 0.879,480 8,481 0.276,482 17.5,483 0.603,484 34.213,485 1.18,486 34.567,487 0.516,488 13.484,489 0.465,490 3.936,491 0.136,492 10.089,493 0.348,494 0.137,496 0.191,501 0.918,502 1.478,503 0.887,504 1.162,505 0.921,506 1.196,507 1.353,508 1.051,509 1.314,510 1.167,511 0.898,512 1.02,513 1.361,514 1.153,515 1.158,516 1.183,517 1.515,518 1.225,519 0.57,520 0.904,521 0.861,522 0.919,523 0.485,524 0.838,525 1.88,526 0.969,527 1.243,528 1.037,529 1.817,530 1.061,531 0.802,532 1.115,533 1.207,534 1.211,535 0.968,536 1.134,537 0.79,538 1.092,539 1.1,540 1.127,541 0.904,542 1.122,543 0.934,544 1.018,545 1.542,546 1.32,547 0.869,548 1.006,549 5.5,550 0.09,551 1.111,552 1.514,553 0.65,554 0.647,555 0.234,556 0.175,557 0.137,558 0.109,559 14420,560 30898,561 1.977,562 56.7,563 6,564 28,569 4,572 1.705,573 1.871,574 4.051,575 -0.785,582 96.965,583 1.447,584 2.654,585 3.872,586 4.118,587 4.26,588 4.26,589 3.479,590 3.755,591 4.832,592 4.284,593 1739.44,594 8.334,595 29053.7,600 406.428,601 1.264,602 4.798,603 0.183,604 0.005,605 0.03,606 0.05,607 0.021,608 0.023,609 0.01,610 0.008,611 0.007,612 0.005,613 0.343,614 0.33,615 0.88,616 1.094,617 158.471,618 0.06,619 -0.215,620 0.096,621 -0.043,622 0.078,623 -0.036,624 -0.103,625 0.125,626 -0.088,627 -0.024,628 0.123,629 0.024,630 0.008,631 -0.119,632 -0.11,633 -0.128,634 -0.191,635 -0.195,636 0.114,637 0.031,638 0.154,639 0.089,640 0.263,641 0.142,642 -0.277,643 0.037,644 -0.152,645 0.014,646 -0.314,647 -0.058,648 -0.039,649 -0.108,650 -0.109,651 -0.127,652 -0.143,653 -0.115,654 -0.03,655 -0.086,656 -0.016,657 -0.031,658 -0.074,659 -0.084,660 -0.068,661 0.01,662 -0.119,663 -0.059,664 -0.042,665 0.02,666 0.623,667 2.354,668 0.345,669 38.692,670 0.984,671 1.13,672 2.749,673 7.558,674 0.641,675 3.434,676 3.638,677 3.714,678 3.912,679 3.85,680 3.871,681 3.85,682 3.638,683 3.611,684 3.584,685 10.298,686 0.572,687 438.77,688 3.434,689 4.905,690 5.666,691 6.479,692 7.259,693 8.079,694 8.871,695 9.694,696 10.494,697 11.319,698 3,701 2,715 4,718 2,720 4,722 10,741 67,743 10,745 30,747 68,748 23,749 8,756 2,757 2,770 5,772 8,773 15,792 2,793 38,794 4,796 6,797 2,802 2,808 1,809 2,828 2,855 2,859 2,860 2,862 2,864 4,868 29,876 11,879 2,881 2,893 3,898 2,901 15.5,902 12.9,903 6.667,904 4.056,907 1.463,908 1.216,909 0.92,910 12.387,911 8.234,912 3.584,913 3.998,914 4.366,915 4.853,916 4.83,917 4.909,918 4.951,919 4.603,920 4.593,921 4.582,922 1,923 30,924 10.773,926 4.168,927 0.026,929 7.356,931 21.697,933 16.944,936 1.856,937 53.833,941 447.302,942 178.208,943 6.249,945 19.015,947 64.439,948 113.769,949 466.317,950 6.249,951 33.586,952 20.483,953 37.905,955 25.263,956 21.795,957 511.741,959 447.302,960 120.017,961 19.015,962 64.439,964 400.217,965 66.099,968 26.731,969 93.286,971 64.439,972 447.302,973 25.263,974 178.208,977 447.302,978 106.717,979 77.739,981 19.015,982 447.302,983 25.263,984 178.208,986 0.549,987 0.274,988 0.151,989 0.074,990 12,991 6,992 0.235,993 16,995 1,996 4.475,997 202.524,999 10,1000 108.881,1001 2,1005 24.773,1006 14.501,1007 11.466,1009 25.263,1010 8.44,1013 11.707,1015 4.331,1018 650.773,1019 35,1031 65.916,1032 75.729,1034 0.239,1035 0.438,1036 0.638,1037 0.679,1038 0.702,1039 0.702,1040 4.766,1041 1.577,1042 5.58,1043 3.819,1044 4.317,1045 4.682,1046 3.847,1047 6.209,1048 4.218,1049 5.871,1050 1.275,1051 7.015,1052 3.347,1053 3.611,1054 4.205,1055 0.57,1056 6.676,1057 3.519,1058 7.093,1059 0.906,1060 8.54,1061 2.673,1062 5.727,1063 6.632,1064 6.135,1065 9.715,1066 5.573,1067 8.349,1068 0.745,1069 10.118,1070 1.951,1071 5.832,1072 7.09,1073 0.674,1074 11.046,1075 5.709,1076 9.643,1077 0.692,1078 11.732,1079 1.752,1080 7.373,1081 8.919,1082 8.5,1083 13.526,1084 7.194,1085 10.964,1086 0.392,1087 13.372,1088 1.605,1089 7.897,1090 9.825,1091 0.66,1092 15.246,1093 7.753,1094 12.306,1095 -0.037,1096 15.031,1097 0.849,1098 9.17,1099 11.385,1100 10.87,1101 17.5,1102 8.981,1103 2.763,1104 -0.288,1105 16.704,1106 -0.082,1107 9.922,1108 12.507,1109 0.611,1110 19.404,1111 9.762,1112 2.763,1113 7.971,1114 18.387,1115 -0.744,1116 11.062,1117 13.94,1118 13.241,1119 21.558,1120 10.868,1121 2.245,1122 7.971,1123 20.08,1124 3.735,1125 11.938,1126 15.165,1127 0.55,1128 23.551,1129 11.762,1130 2.243,1131 6.084,1132 21.779,1133 3.735,1134 13.012,1135 16.538,1136 15.613,1137 25.661,1138 12.811,1139 1.928,1140 6.084,1141 23.483,1142 2.507,1143 13.954,1144 17.811,1145 0.487,1146 27.696,1147 13.761,1148 1.806,1149 4.346,1150 25.192,1151 2.507,1152 14.997,1153 19.156,1154 17.984,1155 29.786,1156 14.784,1157 1.726,1158 4.343,1159 26.905,1160 1.974,1161 15.973,1162 20.452,1163 0.427,1164 31.842,1165 15.762,1166 14332,1167 21102,1168 19.761,1169 42.921,1170 42.697,1171 48.391,1172 42.687,1173 42.165,1174 42.124,1175 49.483,1176 17.445,1177 105.59,1178 39.737,1179 5.091,1180 6.078,1181 5.612,1182 4.855,1183 4.763,1184 6.346,1185 6.545,1186 13.548,1187 4.618,1188 15.631,1189 1.423,1190 1.613,1191 1.423,1192 1.405,1193 1.404,1194 1.649,1195 0.581,1196 3.52,1197 1.325,1198 3.967,1199 3.985,1200 4.007,1201 3.837,1202 5.044,1203 3.837,1204 3.93,1205 3.942,1206 3.968,1207 3.794,1208 5.024,1209 3.801,1210 3.758,1211 3.818,1212 3.742,1213 3.651,1214 4.278,1215 3.623,1216 3.567,1217 3.644,1218 3.715,1219 3.484,1220 4.267,1221 3.411,1222 3.548,1223 3.633,1224 3.461,1225 3.343,1226 4.186,1227 3.326,1228 3.492,1229 3.563,1230 3.36,1231 3.286,1232 3.967,1233 3.287,1234 3.238,1235 3.294,1236 3.333,1237 3.184,1238 3.73,1239 3.099,1240 3.072,1241 3.142,1242 3.028,1243 2.978,1244 3.621,1245 2.914,1246 0.137,1247 0.142,1248 0.189,1249 0.125,1250 0.092,1251 4.124,1252 0.124,1253 4.249,1254 0.109,1255 5.675,1256 0.266,1257 3.75,1258 0.091,1259 2.763,1260 3.735,1261 3.272,1262 7.971,1263 2.728,1264 1.783,1265 1.729,1266 2.018,1267 1.928,1268 1.394,1269 1.97,1270 1.648,1271 1.595,1272 1.869,1273 1.883,1274 1.178,1275 1.882,1276 1.646,1277 1.589,1278 1.867,1279 1.881,1280 1.034,1281 1.88,1282 1.613,1283 1.579,1284 1.794,1285 1.736,1286 1.033,1287 1.786,1288 1.542,1289 1.514,1290 1.691,1291 1.677,1292 0.97,1293 1.698,1294 1.454,1295 1.398,1296 1.676,1297 1.619,1298 0.893,1299 1.641,1300 1.307,1301 1.242,1302 1.543,1303 1.53,1304 0.743,1305 1.541,1306 1.285,1307 1.224,1308 1.529,1309 1.529,1310 0.662,1311 1.533,1312 4.111,1314 5.342,1315 3.045,1316 6.706,1317 5.283,1318 8.139,1319 7.248,1320 9.619,1322 8.265,1328 12.848,1331 3.977,1333 4.265,1340 38.329,1341 96.965,1342 177.845,1343 259.434,1344 275.899,1345 285.408,1346 285.408,1347 58.415,1348 6.771,1349 32.76,1350 83.36,1351 10,1352 11.902,1353 3.459,1354 2.585,1355 66.67,1356 184,1357 139,1358 0.167,1359 248.741,1360 425.98,1361 598.688,1362 9620,1364 20.899,1365 0.721,1366 0.698,1367 21.606,1368 20.248,1369 14.025,1370 0.467,1371 0.431,1372 10.694,1373 12.552,1374 9.995,1375 8.45,1376 15.025,1377 12.937,1378 12.109,1379 0.327,1380 0.278,1381 13.104,1382 10.295,1383 8.134,1384 0.203,1385 0.164,1386 9.246,1387 6.577,1388 6.746,1389 0.138,1390 0.1,1391 7.795,1392 4.895,1393 4.331,1394 0.094,1395 0.072,1396 5.323,1397 3.301,1398 0.29,1399 97.345,1400 0.225,1401 29.596,1402 0.397,1403 134,1404 338.482,1405 183.129,1406 361.501,1407 479.82,1408 342,1409 144,1410 310.105,1411 187.255,1412 335.11,1413 476.2,1414 306,1415 6.215}
{0 CHEMBL134342,1 1.573,2 6.583,3 2.233,4 4.988,5 54.288,6 7.937,8 3.313,9 3.41,10 3.192,11 2.998,12 4.277,13 2.823,14 3.886,15 4.056,16 3.318,17 3.354,18 4.927,19 3.127,20 4.154,21 4.408,22 2.917,23 3.318,24 4.927,25 3.019,26 3.947,27 4.213,28 2.772,29 3.085,30 4.73,31 2.821,32 3.812,33 4.074,34 2.684,35 2.947,36 4.635,37 2.681,38 3.609,39 3.853,40 2.586,41 2.77,42 4.493,43 2.507,44 3.353,45 3.576,46 2.759,47 2.465,48 4.468,49 2.288,50 2.985,51 3.157,52 2.463,53 1.886,54 4.407,55 1.845,56 0.025,57 0.358,58 9.591,59 3.774,60 4.619,61 3.853,62 0.141,63 0.598,64 15.366,65 6.178,66 30.349,67 6.897,68 0.202,69 0.705,70 25.521,71 7.936,72 28.931,73 8.389,74 0.155,75 0.55,76 17.972,77 5.877,78 23.553,79 6.58,80 0.148,81 0.479,82 16.409,83 5.216,84 22.33,85 5.658,86 0.134,87 0.392,88 14.181,89 4.382,90 21.759,91 4.515,92 0.131,93 0.293,94 11.738,95 3.227,96 14.424,97 3.157,98 0.148,99 0.172,100 8.111,101 1.834,102 17.999,103 1.547,104 10,105 14,106 0.331,107 0.519,108 0.762,109 0.891,110 0.891,111 0.891,112 2.589,113 1.668,114 -2.9,115 -2.9,116 -2.81,121 30.8,123 5,127 1,129 1,160 1,170 1,174 1,176 3,177 1,180 1,183 1,185 1,187 3,188 1,192 1,197 1,200 2,201 1,206 1,211 1,214 1,215 1,219 1,224 1,227 1,240 1,244 1,249 1,281 116,282 7.966,283 7.966,284 7.966,285 7.966,286 7.966,287 7.759,288 5.301,289 5.152,290 8.232,291 5.949,292 5.949,293 5.949,294 5.949,295 5.949,296 5.629,297 2.571,298 2.491,299 6.328,300 3.127,301 2.235,302 1.077,303 0.462,304 0.462,305 0.462,306 3.196,311 1,312 1,313 155,314 2.739,317 36.279,325 1.153,326 11.666,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 26,338 79,339 3.568,340 4.08,341 5.352,342 3.463,343 2.544,344 2.712,345 2.341,346 6.998,347 2.324,348 3.522,349 3.596,350 4.657,351 3.228,352 2.225,353 2.538,355 5.178,356 2.197,357 2.559,358 3.354,359 3.63,360 2.482,361 1.515,362 1.549,364 3.129,365 1.451,366 2.13,367 1.663,368 3.217,369 2.002,370 1.093,371 1.113,373 2.307,374 0.968,375 1.618,376 1.095,377 3,378 1.579,379 0.618,380 0.618,382 1.372,383 0.585,384 1.373,385 0.772,386 2.523,387 1.249,388 0.29,389 0.3,391 0.619,392 0.272,393 0.559,394 0.367,395 1.825,396 0.32,397 -0.658,398 -0.67,400 -1.53,401 -0.618,402 0.269,403 -0.206,404 1.084,405 -0.015,406 -1,407 -1.258,409 -2,410 -0.971,411 -0.313,412 -0.662,413 1,414 -0.386,415 -1.326,416 -1.475,418 -2.913,419 -1.241,420 -0.618,421 -0.917,422 1,423 -0.718,424 -1.618,425 -1.618,427 -4.018,428 -1.396,429 -0.701,430 -1.444,431 0.429,432 -0.78,433 -1.715,434 -1.808,435 -0.757,436 -4.372,437 -1.647,438 -0.964,439 -1.856,440 0.282,441 -1.024,442 -1.967,443 -2,444 -1.584,445 -4.77,446 -1.926,474 6.333,475 0.528,476 0.212,477 0.018,478 8,479 0.667,480 1.5,481 0.125,482 6.5,483 0.542,484 12.753,485 1.063,486 14.667,487 0.564,488 1.562,489 0.13,490 0.301,491 0.025,492 5.487,493 0.457,494 0.105,496 0.158,501 0.736,502 0.997,503 0.603,504 0.763,505 0.678,506 1.005,507 0.364,508 1.182,509 0.988,510 1.1,511 0.294,512 1.197,513 0.86,514 1.073,515 1.227,516 1.156,517 0.8,518 1.108,519 0.839,520 0.911,521 0.89,522 0.878,523 0.806,524 0.955,525 0.956,526 0.902,527 0.964,528 0.909,529 0.926,530 0.935,531 1.177,532 0.94,533 1.125,534 1.005,535 1.172,536 0.958,537 1.191,538 1.059,539 0.921,540 1.117,541 1.369,542 0.847,543 2.59,544 1.079,545 0.972,546 1.13,547 2.987,548 0.802,549 2,551 0.667,552 0.347,553 0.205,554 0.08,555 0.137,556 0.084,557 0.063,559 909,560 3294,561 1.906,562 53.8,563 4,564 3,567 1,568 2,569 2,570 2,572 1.442,573 1.8,574 2.783,575 -0.083,579 1,582 40.908,583 1.573,584 2.466,585 3.624,586 4.239,587 4.239,588 4.239,589 2.189,590 2.752,591 3.559,592 2.9,593 191.407,594 5.787,595 1412.07,597 1,600 122.211,601 1.252,602 3.522,603 0.167,605 0.048,606 0.039,607 0.026,608 0.011,609 0.023,610 0.014,611 0.016,613 0.342,614 0.67,615 1,616 2.223,617 44.252,618 -0.048,619 0.138,620 0.256,621 0.247,622 -0.021,623 0.078,624 0.226,625 -0.121,626 -0.051,627 -0.081,628 0.266,629 -0.151,630 -0.101,631 -0.113,632 -0.207,633 -0.152,634 -0.06,635 -0.135,636 -0.061,637 -0.012,638 -0.049,639 -0.017,640 -0.049,641 -0.02,642 -0.085,643 0.008,644 -0.057,645 -0.005,646 -0.07,647 0.001,648 -0.141,649 0.005,650 -0.104,651 -0.018,652 -0.137,653 -0.012,654 0.131,655 -0.11,656 0.186,657 -0.095,658 -0.024,659 0.089,660 -0.074,661 -0.184,662 0.16,663 -0.172,664 -0.284,665 0.013,666 2.33,667 3.186,668 0.417,669 6.611,670 1,671 1.122,672 1.668,673 2.782,674 0.674,675 2.565,676 2.708,677 2.708,678 2.773,679 2.485,680 2.398,681 2.398,682 2.197,683 1.946,684 1.609,685 4.296,686 0.596,687 206.36,688 2.565,689 3.97,690 4.691,691 5.46,692 6.201,693 6.973,694 7.724,695 8.497,696 9.254,697 10.028,741 26,743 1,745 12,747 26,748 8,756 1,757 1,767 2,770 6,772 1,773 7,777 1,782 1,786 1,790 1,793 14,794 2,795 1,796 4,797 2,808 1,809 2,828 1,845 1,857 1,859 1,861 1,862 2,868 12,875 1,876 6,879 2,880 1,893 7.7,895 1,896 1,901 6.667,902 4.283,903 2.833,904 1.717,907 0.121,908 1.025,909 0.859,910 5.117,911 4.883,912 2.639,913 2.833,914 2.773,915 2.833,916 2.565,917 2.485,918 2.565,919 2.398,920 2.197,921 1.946,922 1,923 9,924 4.461,925 0.006,926 1.77,927 0.026,929 7.889,931 8.803,932 0.002,933 7.11,934 0.004,936 2.389,937 28.667,938 0.017,941 153.024,942 74.846,945 67.828,947 60.363,948 14.482,949 220.853,952 13.572,954 68.738,957 213.388,959 153.024,960 14.482,961 67.828,962 60.363,964 105.94,965 114.913,968 13.572,969 0.91,971 60.363,972 153.024,973 67.828,974 74.846,977 153.024,978 74.846,981 67.828,982 153.024,983 67.828,984 74.846,986 0.54,987 0.262,988 0.127,989 0.048,990 5,991 2,992 0.192,993 5,995 1,996 2.54,997 57.115,999 5,1000 43.02,1001 2,1005 10.419,1006 5.894,1007 4.854,1009 67.828,1017 42.683,1018 295.698,1019 13,1024 10.186,1028 -0.663,1031 25.993,1032 29.165,1034 0.335,1035 0.525,1036 0.771,1037 0.902,1038 0.902,1039 0.902,1040 3.784,1041 -1,1042 4.575,1043 -1.53,1044 3.367,1045 3.497,1046 2.258,1047 5.118,1048 3.255,1049 4.804,1050 -1.326,1051 5.964,1052 -2,1053 2.565,1054 2.944,1055 2.243,1056 5.46,1057 2.394,1058 5.971,1059 -1.618,1060 7.444,1061 -2.913,1062 4.691,1063 4.977,1064 3.628,1065 8.408,1066 4.468,1067 7.162,1068 -1.715,1069 8.978,1070 -4.018,1071 4.71,1072 5.252,1073 4.112,1074 9.649,1075 4.377,1076 8.383,1077 -1.967,1078 10.549,1079 -4.372,1080 6.244,1081 6.701,1082 5.201,1083 11.992,1084 5.898,1085 9.618,1087 12.145,1088 -4.77,1089 6.666,1090 7.34,1091 5.889,1092 13.616,1093 6.179,1094 10.863,1096 13.759,1098 7.916,1099 8.543,1100 6.849,1101 15.725,1102 7.427,1103 2.544,1105 15.386,1107 8.552,1108 9.352,1109 7.625,1110 17.524,1111 7.909,1112 2.225,1113 6.998,1114 17.022,1116 9.656,1117 10.442,1118 8.526,1119 19.537,1120 9.006,1121 1.515,1122 5.178,1123 18.665,1124 2.712,1125 10.412,1126 11.334,1127 9.342,1128 21.415,1129 9.607,1130 1.093,1131 3.129,1132 20.314,1133 2.538,1134 11.436,1135 12.37,1136 10.216,1137 23.388,1138 10.613,1139 0.618,1140 2.307,1141 21.967,1142 1.549,1143 12.261,1144 13.304,1145 11.051,1146 25.303,1147 11.289,1148 0.29,1149 1.372,1150 23.624,1151 1.113,1152 13.242,1153 14.314,1154 11.912,1155 27.259,1156 12.237,1157 -0.658,1158 0.619,1159 25.284,1160 0.618,1161 14.108,1162 15.27,1163 12.755,1164 29.19,1165 12.962,1166 1000,1167 1960,1168 7.742,1169 17.534,1170 16.536,1171 19.373,1172 16.76,1173 16.607,1174 16.57,1175 17.659,1176 4.682,1177 39.206,1178 15.595,1179 4.531,1180 5.936,1181 5.07,1182 4.487,1183 4.511,1184 4.712,1185 3.925,1186 11.768,1187 4.25,1188 5.536,1189 1.378,1190 1.614,1191 1.397,1192 1.384,1193 1.381,1194 1.472,1195 0.39,1196 3.267,1197 1.3,1198 3.813,1199 3.857,1200 4.231,1201 3.794,1202 7.474,1203 3.705,1204 3.619,1205 3.652,1206 3.588,1207 3.512,1208 6.351,1209 3.473,1210 3.295,1211 3.335,1212 3.255,1213 3.103,1214 4.216,1215 3.089,1216 2.879,1217 2.942,1218 2.828,1219 2.644,1220 3.929,1221 2.627,1222 2.492,1223 2.597,1224 2.805,1225 2.478,1226 3.433,1227 2.205,1228 2.32,1229 2.406,1230 2.348,1231 2.231,1232 2.914,1233 2.19,1234 2.155,1235 2.243,1236 1.86,1237 1.839,1238 2.828,1239 1.786,1240 1.985,1241 2.089,1242 1.725,1243 1.528,1244 2.494,1245 1.471,1246 0.297,1247 0.34,1248 0.446,1249 0.289,1250 0.212,1251 3.568,1252 0.226,1253 4.08,1254 0.195,1255 5.352,1256 0.583,1257 3.463,1258 0.194,1259 2.544,1260 2.712,1261 2.341,1262 6.998,1263 2.324,1264 1.765,1265 1.713,1266 1.993,1267 1.92,1268 1.378,1269 1.949,1270 1.532,1271 1.483,1272 1.772,1273 1.716,1274 1.13,1275 1.74,1276 1.274,1277 1.237,1278 1.52,1279 1.489,1280 0.836,1281 1.512,1282 0.962,1283 0.951,1284 1.165,1285 1.181,1286 0.481,1287 1.214,1288 0.59,1289 0.533,1290 0.93,1291 0.889,1292 0.139,1293 0.949,1294 0.257,1295 0.129,1296 0.777,1297 0.663,1299 0.73,1300 0.028,1302 0.655,1303 0.464,1305 0.541,1308 0.497,1309 0.317,1311 0.397,1312 3.219,1314 4.394,1315 2.398,1316 5.707,1317 4.443,1318 7.084,1319 6.26,1320 8.5,1327 8.396,1328 6.035,1331 3.917,1332 0.795,1340 15.491,1341 40.908,1342 64.106,1343 94.211,1344 110.211,1345 110.211,1346 110.211,1347 20.76,1348 4.762,1349 37.3,1350 87.9,1351 5,1352 10.651,1353 1,1354 1,1355 22.325,1356 31,1357 22,1358 0.365,1359 107.443,1360 186.56,1361 253.92,1362 485,1364 8.812,1365 0.734,1366 0.719,1367 9.519,1368 8.625,1369 5.788,1370 0.482,1371 0.556,1372 4.415,1373 4.724,1374 4.169,1375 3.429,1376 6.867,1377 6.671,1378 4.829,1379 0.345,1380 0.411,1381 6.097,1382 5.756,1383 3.119,1384 0.223,1385 0.35,1386 4.503,1387 4.901,1388 2.285,1389 0.152,1390 0.283,1391 3.692,1392 4.24,1393 1.189,1394 0.108,1395 0.178,1396 1.801,1397 1.962,1398 0.581,1399 45.422,1400 0.359,1401 12.832,1402 0.95,1403 52,1404 167.606,1405 97.652,1406 197.026,1407 246.68,1408 182,1409 54,1410 127.241,1411 96.762,1412 155.27,1413 214.88,1414 146,1415 9}
{0 CHEMBL13522,1 1.535,2 11,3 3.483,4 12.129,5 90.034,6 6.855,7 0.455,8 3.872,9 3.996,10 3.424,11 3.367,12 4.846,13 3.3,14 4.429,15 4.646,16 3.695,17 3.711,18 5.295,19 3.621,20 4.513,21 4.682,22 3.654,23 3.779,24 5.394,25 3.631,26 4.727,27 5.035,28 3.622,29 3.808,30 5.396,31 3.592,32 4.403,33 4.589,34 3.413,35 3.625,36 5.287,37 3.491,38 4.458,39 4.721,40 3.314,41 3.62,42 5.191,43 3.401,44 4.186,45 4.419,46 3.345,47 3.45,48 4.965,49 3.26,50 4.3,51 4.592,52 3.015,53 3.42,54 4.924,55 3.17,56 0.029,57 0.635,58 11.499,59 4.546,60 8.215,61 6.032,62 0.225,63 0.985,64 23.918,65 7.165,66 16.666,67 9.425,68 0.402,69 1.001,70 24.78,71 8.501,72 24.714,73 10.866,74 0.201,75 1.144,76 31.181,77 10.639,78 23.731,79 14.109,80 0.338,81 0.858,82 22.261,83 7.337,84 25.453,85 9.129,86 0.274,87 0.938,88 25.049,89 8.081,90 20.927,91 11.067,92 0.103,93 0.723,94 17.744,95 6.678,96 13.063,97 8.402,98 0.215,99 0.782,100 27.076,101 7.913,102 14.465,103 9.391,104 25,105 29,106 0.271,107 0.473,108 0.596,109 0.612,110 0.627,111 0.627,112 3.101,113 1.119,114 -2.38,115 -2.41,116 -2.37,121 35.6,126 4,127 4,144 4,154 4,176 2,180 4,191 2,192 4,200 2,206 2,214 2,231 1,232 4,239 1,244 2,251 2,264 1,268 2,269 2,281 584,282 13.74,283 13.74,284 13.74,285 13.74,286 13.74,287 12.552,288 21.194,289 8.377,290 14.135,291 10.916,292 10.916,293 10.916,294 10.916,295 10.916,296 9.072,297 28.979,298 4.059,299 11.511,300 3.956,301 2.81,302 2.112,303 2.023,304 1.934,305 1.934,306 3.758,310 1,311 1,312 1,313 472,314 3.606,317 134.883,325 1.714,326 10.355,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 45,338 231,339 4.134,340 4.29,341 5.684,342 3.762,343 2.778,344 3.741,345 3.52,346 7.992,347 2.735,348 4.114,349 3.079,350 5.667,351 3.738,352 2.748,353 3.728,354 0.916,355 7.951,356 2.721,357 3.395,358 2.943,359 5.052,360 3.2,361 2.269,362 2.534,363 0.916,364 6.147,365 2.113,366 3.339,367 2.762,368 5.005,369 3.147,370 2.206,371 2.475,372 0.57,373 6.013,374 2.078,375 2.929,376 2.421,377 4.348,378 2.711,379 1.79,380 1.965,381 0.172,382 4.374,383 1.643,384 2.875,385 2.204,386 4.323,387 2.635,388 1.675,389 1.92,390 0.172,391 4.285,392 1.598,393 2.289,394 1.848,395 3.401,396 1.914,397 1.063,398 1.238,400 2.396,401 0.883,402 2.209,403 1.578,404 3.278,405 1.74,406 0.744,407 1.076,409 1.765,410 0.74,411 2.079,412 0.769,413 3.241,414 1.637,415 0.677,416 0.95,418 1.629,419 0.642,420 1.068,421 0.747,422 2.659,423 0.851,424 -0.074,425 -0.082,427 -0.191,428 -0.066,429 0.82,430 0.058,431 2.396,432 0.639,433 -0.317,434 -0.351,436 -0.853,437 -0.301,438 0.728,439 0.04,440 2.288,441 0.498,442 -0.432,443 -0.487,445 -1.128,446 -0.395,447 0.172,448 -0.582,449 1.703,450 -0.1,451 -1,452 -1,454 -2,455 -0.9,457 -0.6,458 1.401,459 -0.1,460 -1,461 -1,463 -2,464 -0.9,466 -0.6,467 1.369,468 -0.111,469 -1.072,470 -1.224,472 -2.963,473 -1.025,474 10.3,475 0.49,476 0.561,477 0.027,478 21.5,479 1.024,480 8,481 0.381,482 13.5,483 0.643,484 18.953,485 0.903,486 24.5,487 0.544,488 13.321,489 0.634,490 4.227,491 0.201,492 5.798,493 0.276,494 0.194,496 0.272,501 0.923,502 1.581,503 0.844,504 1.211,505 0.941,506 1.157,507 1.404,508 0.864,509 1.192,510 0.968,511 0.912,512 0.804,513 1.575,514 1.244,515 1.2,516 1.259,517 1.826,518 1.374,519 0.549,520 0.847,521 0.73,522 0.834,523 0.462,524 0.746,525 2.328,526 0.939,527 1.356,528 0.984,529 2.282,530 1.094,531 0.448,532 1.168,533 1.169,534 1.294,535 0.617,536 1.169,537 0.866,538 1.114,539 0.93,540 1.078,541 0.812,542 1.074,543 0.842,544 0.957,545 1.903,546 1.489,547 0.731,548 0.893,549 5.5,550 0.083,551 1.111,552 1.514,553 0.57,554 0.702,555 0.163,556 0.226,557 0.074,558 0.149,559 4764,560 10818,561 1.968,562 53.3,564 24,572 1.622,573 1.826,574 3.44,575 -0.75,577 1,579 1,582 69.094,583 1.535,584 2.682,585 3.38,586 3.469,587 3.558,588 3.558,589 2.869,590 3.249,591 4.362,592 3.615,593 759.157,594 7.426,595 8718.68,597 1,599 1,600 247.133,601 1.461,602 4.311,603 0.25,604 0.006,605 0.038,606 0.069,607 0.025,608 0.035,609 0.01,610 0.014,611 0.005,612 0.012,613 0.465,614 0.5,615 1,616 1.311,617 98.622,618 0.03,619 -0.336,620 0.097,621 -0.116,622 -0.003,623 -0.067,624 -0.147,625 0.305,626 -0.008,627 0.111,628 0.102,629 0.178,630 -0.065,631 -0.187,632 -0.2,633 -0.217,634 -0.403,635 -0.362,636 0.134,637 0.049,638 0.281,639 0.16,640 0.308,641 0.235,642 -0.458,643 0.075,644 -0.286,645 0.044,646 -0.567,647 -0.123,648 0.206,649 -0.165,650 -0.074,651 -0.2,652 0.126,653 -0.146,654 0.02,655 -0.11,656 0.132,657 0.017,658 0.13,659 -0.038,660 -0.052,661 0.079,662 -0.218,663 -0.073,664 0.054,665 0.152,666 0.656,667 2.29,668 0.476,669 19.764,670 0.992,671 1.131,672 1.152,673 1.327,674 0.643,675 3.135,676 3.401,677 3.497,678 3.738,679 3.664,680 3.714,681 3.714,682 3.555,683 3.664,684 3.738,685 6.591,686 0.588,687 308.49,688 3.135,689 4.635,690 5.416,691 6.26,692 7.06,693 7.907,694 8.717,695 9.562,696 10.378,697 11.222,698 4.4,701 2,715 4,718 2,720 4,722 10,741 45,743 10,745 22,747 46,748 16,749 8,756 2,757 2,772 8,773 8,789 1,790 1,792 2,793 24,794 4,796 5,797 1,802 2,808 1,809 2,828 2,855 2,859 2,860 1,862 1,864 4,868 21,876 4,879 1,881 2,893 4.4,898 2,901 11.5,902 9.233,903 4.667,904 2.389,907 1.695,908 1.269,909 0.928,910 6.268,911 7.987,912 3.332,913 3.839,914 4.259,915 4.789,916 4.764,917 4.879,918 4.992,919 4.913,920 5.327,921 5.651,922 1,923 22,924 7.755,926 3.031,927 0.026,929 7.476,931 15.243,933 11.738,936 1.976,937 41.5,938 0.001,940 1,941 282.506,942 131.516,943 6.249,945 19.015,947 32.22,948 99.297,949 301.521,950 6.249,951 33.586,952 6.011,953 37.905,955 25.263,956 21.795,957 314.726,959 282.506,960 105.545,961 19.015,962 32.22,964 282.506,965 19.015,968 12.259,969 93.286,971 32.22,972 282.506,973 25.263,974 131.516,977 282.506,978 60.026,979 77.739,981 19.015,982 282.506,983 25.263,984 131.516,986 0.568,987 0.283,988 0.158,989 0.075,990 12,991 6,992 0.174,993 8,995 1,996 3.475,997 140.778,999 10,1000 68.239,1001 1,1005 16.525,1006 7.965,1007 5.808,1009 25.263,1010 8.229,1013 11.581,1015 4.081,1018 439.286,1019 27,1031 44.654,1032 50.903,1034 0.28,1035 0.488,1036 0.616,1037 0.632,1038 0.648,1039 0.648,1040 4.538,1041 0.744,1042 5.38,1043 2.396,1044 4.078,1045 4.522,1046 3.382,1047 6.071,1048 3.991,1049 5.7,1050 0.677,1051 6.86,1052 1.765,1053 3.611,1054 4.205,1055 0.57,1056 6.676,1057 3.519,1058 6.958,1059 -0.074,1060 8.424,1061 1.629,1062 5.557,1063 6.566,1064 5.737,1065 9.667,1066 5.422,1067 8.248,1068 -0.317,1069 10.033,1070 -0.191,1071 5.832,1072 7.09,1073 0.674,1074 11.046,1075 5.709,1076 9.567,1077 -0.432,1078 11.671,1079 -0.853,1080 7.268,1081 8.897,1082 8.244,1083 13.513,1084 7.107,1085 10.908,1086 -1,1087 13.329,1088 -1.128,1089 7.897,1090 9.825,1091 0.66,1092 15.246,1093 7.753,1094 12.265,1095 -1,1096 15,1097 -2,1098 9.11,1099 11.378,1100 10.761,1101 17.496,1102 8.935,1103 2.778,1104 -1.072,1105 16.682,1106 -2,1107 9.922,1108 12.507,1109 0.611,1110 19.404,1111 9.762,1112 2.748,1113 7.992,1114 18.372,1115 -2.963,1116 11.03,1117 13.938,1118 13.277,1119 21.558,1120 10.845,1121 2.269,1122 7.951,1123 20.069,1124 3.741,1125 11.938,1126 15.165,1127 0.55,1128 23.551,1129 11.762,1130 2.206,1131 6.147,1132 21.771,1133 3.728,1134 12.996,1135 16.537,1136 15.794,1137 25.661,1138 12.8,1139 1.79,1140 6.013,1141 23.478,1142 2.534,1143 13.955,1144 17.811,1145 0.487,1146 27.696,1147 13.761,1148 1.675,1149 4.374,1150 25.188,1151 2.475,1152 14.99,1153 19.156,1154 18.311,1155 29.787,1156 14.78,1157 1.063,1158 4.285,1159 26.902,1160 1.965,1161 15.975,1162 20.452,1163 0.427,1164 31.843,1165 15.762,1166 4852,1167 7430,1168 14.216,1169 28.944,1170 32.633,1171 35.261,1172 32.589,1173 31.951,1174 31.9,1175 39.253,1176 12.535,1177 85.104,1178 30.308,1179 5.011,1180 6.052,1181 5.24,1182 4.876,1183 4.778,1184 6.362,1185 7.04,1186 13.59,1187 4.625,1188 12.037,1189 1.483,1190 1.603,1191 1.481,1192 1.452,1193 1.45,1194 1.784,1195 0.57,1196 3.868,1197 1.378,1198 3.974,1199 3.987,1200 4.027,1201 3.845,1202 5.05,1203 3.846,1204 3.911,1205 3.925,1206 3.859,1207 3.755,1208 5.017,1209 3.777,1210 3.562,1211 3.647,1212 3.631,1213 3.384,1214 4.28,1215 3.351,1216 3.529,1217 3.616,1218 3.372,1219 3.29,1220 4.264,1221 3.296,1222 3.219,1223 3.267,1224 3.326,1225 3.162,1226 3.781,1227 3.085,1228 2.929,1229 3.019,1230 2.714,1231 2.775,1232 3.621,1233 2.749,1234 2.874,1235 3.009,1236 2.556,1237 2.618,1238 3.62,1239 2.57,1240 2.874,1241 3.009,1242 2.499,1243 2.618,1244 3.467,1245 2.57,1246 0.188,1247 0.195,1248 0.258,1249 0.171,1250 0.126,1251 4.134,1252 0.17,1253 4.29,1254 0.16,1255 5.684,1256 0.363,1257 3.762,1258 0.124,1259 2.778,1260 3.741,1261 3.52,1262 7.992,1263 2.735,1264 1.649,1265 1.604,1266 1.869,1267 1.882,1268 1.043,1269 1.881,1270 1.647,1271 1.589,1272 1.867,1273 1.882,1274 1.033,1275 1.88,1276 1.61,1277 1.581,1278 1.722,1279 1.728,1280 1.019,1281 1.758,1282 1.47,1283 1.435,1284 1.66,1285 1.617,1286 0.805,1287 1.625,1288 1.311,1289 1.245,1290 1.55,1291 1.531,1292 0.669,1293 1.543,1294 1.265,1295 1.21,1296 1.505,1297 1.527,1298 0.638,1299 1.52,1300 0.934,1301 0.827,1302 1.417,1303 1.239,1304 0.469,1305 1.308,1306 0.934,1307 0.804,1308 1.417,1309 1.239,1310 0.469,1311 1.308,1312 3.807,1314 5.081,1315 3.045,1316 6.488,1317 5.283,1318 7.96,1319 7.248,1320 9.475,1322 8.163,1328 3.432,1331 1.809,1333 4.204,1340 26.454,1341 69.094,1342 120.695,1343 152.114,1344 156.114,1345 160.114,1346 160.114,1347 30.325,1348 6.292,1349 32.76,1350 58.06,1351 10,1352 11.791,1353 3.459,1354 2.585,1355 39.74,1356 84,1357 67,1358 0.233,1359 170.464,1360 286.37,1361 407.691,1362 4124,1364 15.242,1365 0.726,1366 0.67,1367 15.596,1368 14.073,1369 10.025,1370 0.456,1371 0.373,1372 7.015,1373 9.076,1374 6.514,1375 5.539,1376 10.525,1377 8.205,1378 9.28,1379 0.32,1380 0.231,1381 9.746,1382 6.69,1383 6.134,1384 0.192,1385 0.12,1386 6.746,1387 3.845,1388 5.338,1389 0.13,1390 0.07,1391 5.948,1392 2.86,1393 3.302,1394 0.087,1395 0.046,1396 3.904,1397 1.754,1398 0.38,1399 68.345,1400 0.265,1401 21.601,1402 0.595,1403 102,1404 291.622,1405 132.188,1406 295.223,1407 394.38,1408 278,1409 112,1410 268.734,1411 141.893,1412 284.205,1413 403.88,1414 258,1415 4.357}
{0 CHEMBL136294,1 1.406,2 6.467,3 0.977,4 0.954,5 58.324,6 6.312,7 0.4,8 3.543,9 3.677,10 2.954,11 2.981,12 4.582,13 2.94,14 4.092,15 4.317,16 3.284,17 3.333,18 5.099,19 3.279,20 4.311,21 4.512,22 3.263,23 3.516,24 5.329,25 3.407,26 4.446,27 4.724,28 3.114,29 3.474,30 5.348,31 3.313,32 4.215,33 4.471,34 2.996,35 3.304,36 5.157,37 3.16,38 4.087,39 4.331,40 2.671,41 3.085,42 5.011,43 2.926,44 3.841,45 4.131,46 2.501,47 2.853,48 4.783,49 2.686,50 3.71,51 3.952,52 1.937,53 2.655,54 4.779,55 2.455,56 0.019,57 0.436,58 7.935,59 2.998,60 5.296,61 4.331,62 0.241,63 0.661,64 14.162,65 4.432,66 20.733,67 6.713,68 0.169,69 0.781,70 17.443,71 6.199,72 25.91,73 8.813,74 0.283,75 0.785,76 19.77,77 6.657,78 37.339,79 9.768,80 0.134,81 0.649,82 15.565,83 5.478,84 24.651,85 7.951,86 0.274,87 0.53,88 14.095,89 4.417,90 26.436,91 6.384,92 0.094,93 0.429,94 10.567,95 3.494,96 18.236,97 5.294,98 0.2,99 0.351,100 9.683,101 2.795,102 34.077,103 4.105,104 32,105 21,106 0.27,107 0.538,108 0.689,109 0.735,110 0.735,111 0.735,112 2.793,113 1.049,114 -0.2,115 -0.35,116 -0.52,121 36.4,122 1,123 1,126 3,144 4,146 2,160 1,176 3,179 1,180 4,187 3,189 2,192 3,200 1,203 1,206 3,208 1,214 2,216 1,219 1,227 3,232 1,234 1,239 2,241 1,251 1,253 1,281 209,282 9.342,283 9.342,284 9.342,285 9.342,286 9.342,287 8.502,288 13.125,289 5.443,290 9.569,291 7.335,292 7.335,293 7.335,294 7.335,295 7.335,296 5.983,297 17.926,298 2.517,299 7.716,300 3.639,301 2.244,302 1.456,303 1.213,304 1.213,305 1.213,306 3.402,311 1,312 1,313 185,314 3.464,318 52.363,325 1.102,326 11.986,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 32.5,338 97,339 4.453,340 3.711,341 7.116,342 4.24,343 3.32,344 3.869,345 2.443,346 11.69,347 3.058,348 3.875,349 3.646,350 5.502,351 3.529,352 2.589,353 3.149,354 1.2,355 7.446,356 2.416,357 3.483,358 2.655,359 4.844,360 3.108,361 2.108,362 2.684,363 0.286,364 5.504,365 2.089,366 2.881,367 1.744,368 4.432,369 2.478,370 1.509,371 2,373 4.236,374 1.454,375 2.57,376 1.157,377 3.488,378 2.105,379 1.113,380 1.6,382 2.537,383 1.103,384 1.507,385 1.02,386 2.856,387 1.368,388 0.383,389 0.409,391 0.557,392 0.371,393 1.176,394 0.584,395 2.701,396 0.73,397 -0.252,398 -0.33,400 -0.568,401 -0.243,402 0.67,403 -0.4,404 2,405 0.237,406 -0.741,407 -0.975,409 -1.965,410 -0.721,411 0.479,412 -0.6,413 2,415 -1,416 -1,418 -2.596,419 -0.9,421 -0.6,422 2,423 -0.1,424 -1,425 -1,427 -3,428 -0.9,430 -0.65,431 1.632,432 -0.1,433 -1,434 -1.403,435 -0.4,436 -3,437 -0.986,438 -0.199,439 -0.978,440 1.491,441 -0.378,442 -1.406,443 -1.736,444 -0.4,445 -3.161,446 -1.448,447 -0.5,448 -1.294,449 1.034,450 -0.796,451 -1.715,452 -1.991,453 -0.4,454 -5.222,455 -1.564,456 -0.599,457 -1.593,458 0.46,459 -1,460 -1.908,461 -2.276,462 -0.998,463 -5.482,464 -1.728,465 -0.797,466 -2,467 0.444,468 -1.021,469 -2,470 -3,471 -1.731,472 -6.977,473 -2,474 7.067,475 0.471,476 0.569,477 0.038,478 17.25,479 1.15,480 8,481 0.533,482 9.25,483 0.617,484 10.738,485 0.716,486 17.833,487 0.54,488 11.722,489 0.781,490 3.55,491 0.237,492 3.381,493 0.225,494 0.33,495 0.057,496 0.212,501 0.786,502 1.731,503 0.951,504 1.438,505 0.636,506 1.246,507 0.884,508 0.833,509 0.823,510 0.76,511 0.434,512 0.746,513 1.247,514 1.281,515 1.222,516 1.283,517 1.026,518 1.256,519 0.977,520 0.858,521 0.923,522 0.887,523 1.007,524 0.902,525 0.912,526 1.111,527 0.963,528 1.135,529 0.936,530 1.07,531 1.6,532 0.993,533 1.308,534 1.027,535 1.168,536 1.127,537 0.745,538 1.023,539 0.868,540 1.02,541 1.041,542 0.965,543 2.118,544 0.987,545 1.734,546 1.094,547 3.409,548 1.325,549 5,551 1.778,552 1.125,553 0.72,554 0.472,555 0.345,556 0.122,559 1329,560 3083,561 1.803,562 54.5,563 3,564 13,568 2,572 1.532,573 1.622,574 2.742,575 -0.781,577 1,579 1,582 46.387,583 1.406,584 2.8,585 3.589,586 3.831,587 3.831,588 3.831,589 2.206,590 3.457,591 3.879,592 2.846,593 298.856,594 6.505,595 2484.9,597 1,600 166.465,601 1.782,602 3.765,603 0.333,605 0.085,606 0.059,607 0.045,608 0.034,609 0.038,610 0.015,613 0.609,614 0.83,615 1,616 1.697,617 58.665,618 0.019,619 -0.418,620 0.05,621 -0.227,622 -0.068,623 -0.108,624 0.145,625 0.329,626 0.2,627 0.239,628 0.222,629 0.245,630 -0.148,631 -0.194,632 -0.221,633 -0.211,634 -0.099,635 -0.226,636 0.004,637 0.06,638 0.039,639 0.065,640 -0.043,641 0.055,642 -0.013,643 -0.142,644 -0.008,645 -0.132,646 0.007,647 -0.076,648 -0.165,649 -0.069,650 -0.281,651 -0.085,652 -0.171,653 -0.196,654 0.028,655 -0.094,656 0.068,657 -0.082,658 0.131,659 -0.009,660 -0.49,661 -0.054,662 -0.682,663 -0.198,664 -0.59,665 -0.435,666 1.867,667 4.115,668 0.4,669 8.853,670 0.993,671 1.135,672 -1.025,673 1.051,674 0.618,675 2.773,676 3.091,677 3.135,678 3.219,679 3.367,680 3.219,681 3.258,682 2.708,683 2.303,684 1.386,685 4.122,686 0.574,687 208.31,688 2.773,689 4.29,690 5.069,691 5.932,692 6.742,693 7.604,694 8.427,695 9.287,696 10.118,697 10.976,698 3,712 1,715 4,720 2,722 6,741 33,743 7,744 1,745 15,747 33,748 12,749 6,750 2,751 4,756 1,757 1,763 1,770 1,772 7,773 5,777 1,782 1,786 1,790 1,793 18,794 2,796 3,802 1,803 1,807 1,808 1,809 2,829 1,846 1,859 1,864 4,868 15,876 1,878 1,883 1,893 6.1,896 1,898 1,901 9.25,902 7.167,903 3.333,904 2.118,907 1.298,908 1.245,909 0.865,910 3.613,911 6.601,912 2.996,913 3.512,914 3.876,915 4.319,916 4.782,917 4.747,918 4.953,919 4.541,920 4.202,921 2.784,922 1,923 19,924 5.524,925 -0.001,926 2.142,927 0.026,929 7.8,931 10.526,933 7.886,934 -0.001,936 2.3,937 34.5,938 0.004,941 211.88,942 89.645,945 36.145,948 89.645,949 248.025,951 34.014,952 2.535,953 37.905,954 32.336,955 19,957 211.88,959 211.88,960 89.645,961 36.145,964 211.88,965 36.145,968 11.36,969 78.286,972 211.88,973 36.145,974 89.645,977 211.88,978 17.726,979 71.919,981 36.145,982 211.88,983 36.145,984 89.645,986 0.587,987 0.306,988 0.132,989 0.076,990 9,991 5,992 0.121,993 4,995 1,996 2.575,997 88.516,999 6,1000 53.848,1005 11.891,1006 4.558,1007 3.461,1009 36.145,1010 7.612,1015 1.726,1018 337.67,1019 19,1024 11.115,1028 -0.2,1031 32.767,1032 37.446,1034 0.279,1035 0.555,1036 0.711,1037 0.759,1038 0.759,1039 0.759,1040 4.227,1041 -0.741,1042 5.142,1043 -0.568,1044 3.761,1045 4.19,1046 2.562,1047 5.974,1048 3.656,1049 5.461,1050 -1,1051 6.742,1052 -1.965,1053 3.761,1054 4.159,1055 2.394,1056 7.322,1057 3.54,1058 6.788,1059 -1,1060 8.465,1061 -2.596,1062 5.476,1063 6.286,1064 3.886,1065 10.217,1066 5.222,1067 8.149,1068 -1,1069 10.262,1070 -3,1071 6.196,1072 6.908,1073 4.303,1074 12.308,1075 5.809,1076 9.536,1077 -1.406,1078 12.106,1079 -3,1080 7.545,1081 8.657,1082 5.499,1083 14.888,1084 7.114,1085 10.942,1086 -1.715,1087 13.983,1088 -3.161,1089 8.547,1090 9.583,1091 6.166,1092 17.224,1093 7.993,1094 12.362,1095 -1.908,1096 15.882,1097 -5.222,1098 9.782,1099 11.163,1100 7.211,1101 19.719,1102 9.168,1103 3.32,1104 -2,1105 17.798,1106 -5.482,1107 10.898,1108 12.257,1109 7.994,1110 22.136,1111 10.175,1112 2.589,1113 11.69,1114 19.726,1115 -6.977,1116 12.1,1117 13.745,1118 8.964,1119 24.605,1120 11.306,1121 2.108,1122 7.446,1123 21.662,1124 3.869,1125 13.262,1126 14.939,1127 9.802,1128 27.049,1129 12.371,1130 1.509,1131 5.504,1132 23.606,1133 3.149,1134 14.456,1135 16.372,1136 10.734,1137 29.511,1138 13.488,1139 1.113,1140 4.236,1141 25.554,1142 2.684,1143 15.638,1144 17.627,1145 11.6,1146 31.965,1147 14.579,1148 0.383,1149 2.537,1150 27.506,1151 2,1152 16.832,1153 19.028,1154 12.512,1155 34.425,1156 15.693,1157 -0.252,1158 0.557,1159 29.46,1160 1.6,1161 18.023,1162 20.321,1163 13.391,1164 36.882,1165 16.797,1166 1512,1167 2391,1168 8.841,1169 20.387,1170 22.339,1171 23.058,1172 22.876,1173 22.135,1174 22.043,1175 27.421,1176 7.858,1177 63.942,1178 20.981,1179 5.25,1180 5.711,1181 6.672,1182 5.261,1183 5.32,1184 6.869,1185 4.174,1186 18.667,1187 5.058,1188 9.711,1189 1.489,1190 1.537,1191 1.525,1192 1.476,1193 1.47,1194 1.828,1195 0.524,1196 4.263,1197 1.399,1198 3.984,1199 4.029,1200 3.919,1201 3.867,1202 7.432,1203 3.874,1204 3.654,1205 3.706,1206 3.545,1207 3.432,1208 4.826,1209 3.446,1210 3.544,1211 3.608,1212 3.398,1213 3.363,1214 4.361,1215 3.361,1216 3.019,1217 3.055,1218 2.853,1219 2.777,1220 4.136,1221 2.789,1222 2.874,1223 3.009,1224 2.61,1225 2.618,1226 3.914,1227 2.605,1228 2.874,1229 3.009,1230 2.53,1231 2.618,1232 3.502,1233 2.57,1234 2.772,1235 2.837,1236 2.499,1237 2.618,1238 3.467,1239 2.57,1240 2.683,1241 2.744,1242 2.499,1243 2.495,1244 3.467,1245 2.501,1246 0.297,1247 0.247,1248 0.474,1249 0.283,1250 0.221,1251 4.453,1252 0.258,1253 3.711,1254 0.163,1255 7.116,1256 0.779,1257 4.24,1258 0.204,1259 3.32,1260 3.869,1261 2.443,1262 11.69,1263 3.058,1264 1.931,1265 1.897,1266 2.061,1267 2.089,1268 1.23,1269 2.084,1270 1.597,1271 1.538,1272 1.855,1273 1.836,1274 1.008,1275 1.838,1276 1.532,1277 1.458,1278 1.8,1279 1.73,1280 0.897,1281 1.758,1282 0.934,1283 0.892,1284 1.417,1285 1.239,1286 0.469,1287 1.308,1288 0.934,1289 0.804,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.929,1295 0.804,1296 1.179,1297 1.239,1298 0.205,1299 1.212,1300 0.777,1301 0.715,1302 1.084,1303 0.983,1304 0.165,1305 1.02,1306 0.675,1307 0.614,1308 0.992,1309 0.89,1310 0.095,1311 0.926,1312 3.434,1314 4.745,1316 6.236,1318 7.804,1320 9.413,1322 7.994,1328 0.397,1330 5.15,1335 0.706,1340 18.929,1341 46.387,1342 92.407,1343 118.426,1344 126.426,1345 126.426,1346 126.426,1347 26.343,1348 5.303,1349 26.3,1350 26.3,1351 6,1352 11.533,1353 3,1354 2.322,1355 31.101,1356 37,1357 36,1358 0.446,1359 123.026,1360 212.24,1361 291.944,1362 901,1364 11.475,1365 0.765,1366 0.656,1367 11.475,1368 9.833,1369 6.931,1370 0.462,1371 0.35,1372 5.144,1373 6.595,1374 4.865,1375 4.191,1376 6.931,1377 5.244,1378 6.845,1379 0.326,1380 0.219,1381 6.845,1382 4.605,1383 4.44,1384 0.202,1385 0.101,1386 4.44,1387 2.22,1388 3.027,1389 0.126,1390 0.051,1391 3.027,1392 1.23,1393 2.391,1394 0.085,1395 0.029,1396 2.391,1397 0.817,1398 0.669,1399 43.873,1400 0.336,1401 15.106,1402 1.295,1403 72,1404 205.804,1405 80.641,1406 194.698,1407 258.84,1408 180,1409 79,1410 188.881,1411 87.646,1412 189.906,1413 269.52,1414 176,1415 5.224}
{0 CHEMBL136526,1 1.474,2 7.857,3 0.996,4 0.991,5 81.195,6 6.454,7 0.261,8 3.895,9 4.036,10 3.351,11 3.332,12 4.868,13 3.304,14 4.513,15 4.733,16 3.805,17 3.814,18 5.44,19 3.773,20 4.789,21 4.978,22 3.911,23 4.096,24 5.67,25 4.002,26 5.079,27 5.357,28 3.807,29 4.172,30 5.865,31 4.025,32 4.951,33 5.211,34 3.556,35 4.055,36 5.773,37 3.855,38 4.91,39 5.25,40 3.271,41 3.758,42 5.586,43 3.534,44 4.365,45 4.638,46 3.121,47 3.306,48 5.273,49 3.174,50 4.104,51 4.343,52 2.91,53 3.002,54 5.203,55 2.941,56 0.031,57 0.662,58 11.185,59 3.883,60 8.213,61 5.921,62 0.45,63 1.094,64 21.613,65 6.542,66 31.387,67 10.198,68 0.16,69 1.435,70 27.61,71 10.042,72 25.108,73 14.875,74 0.456,75 1.617,76 37.57,77 11.788,78 46.312,79 18.344,80 0.245,81 1.409,82 32.348,83 11.863,84 38.216,85 17.669,86 0.418,87 1.091,88 31.673,89 9.907,90 43.457,91 15.359,92 0.265,93 0.693,94 18.608,95 5.504,96 26.922,97 8.402,98 0.394,99 0.527,100 15.09,101 3.244,102 35.442,103 5.15,104 40,105 37,106 0.26,107 0.577,108 0.786,109 0.828,110 0.828,111 0.828,112 3.105,113 0.987,114 -0.07,115 -0.22,116 -0.4,121 35.6,122 1,123 1,125 1,126 4,127 1,130 1,144 3,145 1,146 2,161 1,176 5,179 1,180 5,182 1,183 2,187 6,189 2,192 6,200 5,203 2,206 3,211 2,214 3,216 2,218 1,219 4,224 2,227 2,229 1,232 1,234 1,237 1,243 1,244 2,247 1,249 2,258 1,263 1,281 496,282 13.444,283 13.444,284 13.444,285 13.444,286 13.444,287 12.628,288 22.015,289 7.331,290 13.854,291 11.223,292 11.223,293 11.223,294 11.223,295 11.223,296 9.833,297 29.826,298 3.367,299 11.853,300 4.018,301 2.221,302 1.034,303 0.795,304 0.795,305 0.795,306 3.769,311 1,312 1,313 349,314 3.674,317 70.322,318 41.942,320 57.057,321 62.509,324 86.926,325 1.224,326 15.534,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 45.5,338 165,339 4.909,340 4.11,341 8.167,342 4.804,343 3.842,344 4.228,345 2.186,346 15.951,347 3.712,348 4.191,349 3.66,350 7.028,351 3.974,352 3.039,353 3.47,354 1.25,355 11.413,356 2.83,357 3.833,358 3.361,359 6.179,360 3.555,361 2.607,362 3.04,363 0.8,364 8.753,365 2.471,366 3.631,367 2.747,368 5.634,369 3.391,370 2.454,371 2.764,372 0.366,373 7.43,374 2.276,375 3.393,376 2.604,377 5.365,378 3.026,379 2.062,380 2.577,382 6.053,383 1.967,384 2.822,385 1.887,386 4.739,387 2.56,388 1.606,389 1.874,391 5.009,392 1.524,393 2.519,394 1.186,395 4.344,396 2.136,397 1.143,398 1.525,400 3.089,401 1.134,402 1.819,403 1.106,404 3.781,405 1.737,406 0.768,407 0.8,409 1.929,410 0.742,411 1.509,412 0.924,413 3.156,414 1.308,415 0.395,416 0.419,418 0.611,419 0.356,420 1.24,421 0.668,422 3,423 0.876,424 -0.088,425 -0.099,427 -0.214,428 -0.083,429 0.858,430 0.1,431 2.951,432 0.718,433 -0.23,434 -0.261,436 -0.589,437 -0.216,438 0.681,439 -0.17,440 2.784,441 0.309,442 -0.677,443 -0.833,445 -1.881,446 -0.661,447 0.53,448 -0.587,449 2.359,450 0.083,451 -0.908,452 -1,454 -2.685,455 -0.893,457 -0.6,458 2.283,459 -0.041,460 -1,461 -1,463 -3,464 -0.9,466 -0.815,467 2.167,468 -0.1,469 -1,470 -1.234,472 -3.083,473 -0.953,474 9.867,475 0.47,476 0.879,477 0.042,478 23,479 1.095,480 8.5,481 0.405,482 14.5,483 0.69,484 20.403,485 0.972,486 24.633,487 0.547,488 16.807,489 0.8,490 4.447,491 0.212,492 5.346,493 0.255,494 0.287,495 0.091,496 0.294,501 0.855,502 1.766,503 0.912,504 1.382,505 0.641,506 1.179,507 0.823,508 0.703,509 0.793,510 0.616,511 0.361,512 0.66,513 0.898,514 1.496,515 1.115,516 1.399,517 0.654,518 1.308,519 1.02,520 0.856,521 1.044,522 0.896,523 0.751,524 0.952,525 0.593,526 1.315,527 1.144,528 1.448,529 0.735,530 1.394,531 0.761,532 0.69,533 0.696,534 0.731,535 0.669,536 0.718,537 1.154,538 1.094,539 0.922,540 1.085,541 1.119,542 1.001,543 2.631,544 0.784,545 1.417,546 0.725,547 3.255,548 0.887,549 7,551 4,552 3.771,553 1.531,554 0.757,555 0.568,556 0.328,557 0.217,558 0.065,559 3582,560 7771,561 1.968,562 53.3,563 3,564 17,565 1,567 1,569 2,572 1.636,573 1.75,574 2.91,575 -0.291,577 1,579 1,582 66.339,583 1.474,584 3.271,585 4.458,586 4.697,587 4.697,588 4.697,589 2.453,590 4.202,591 4.359,592 3.056,593 641.72,594 7.495,595 6423.33,597 1,600 247.133,601 1.884,602 4.251,603 0.304,605 0.108,606 0.097,607 0.045,608 0.033,609 0.032,610 0.022,611 0.018,612 0.009,613 0.668,614 0.83,615 1,616 1.353,617 91.968,618 -0.002,619 -0.408,620 0.086,621 -0.175,622 -0.052,623 -0.054,624 0.222,625 0.513,626 0.234,627 0.407,628 0.264,629 0.344,630 -0.073,631 -0.306,632 -0.149,633 -0.245,634 -0.005,635 -0.217,636 -0.14,637 0.146,638 -0.075,639 0.078,640 -0.004,641 0.026,642 0.044,643 -0.317,644 -0.226,645 -0.383,646 -0.045,647 -0.351,648 0.099,649 0.068,650 0.245,651 0.165,652 0.022,653 0.217,654 0.11,655 -0.209,656 0.085,657 -0.147,658 0.053,659 -0.057,660 -0.335,661 0.153,662 -0.254,663 0.092,664 -0.386,665 -0.059,666 2.092,667 4.41,668 0.571,669 14.671,670 0.994,671 1.139,672 -1.16,673 1.345,674 0.62,675 3.178,676 3.638,677 3.97,678 4.344,679 4.554,680 4.654,681 4.86,682 4.92,683 4.828,684 4.754,685 4.659,686 0.578,687 290.43,688 3.178,689 4.796,690 5.7,691 6.668,692 7.602,693 8.578,694 9.528,695 10.507,696 11.465,697 12.446,698 6.7,704 1,705 1,712 1,715 3,720 3,722 6,736 1,737 1,741 45,743 7,744 1,745 23,747 47,748 16,749 6,750 3,751 3,756 3,757 6,763 1,764 1,766 1,767 1,770 1,772 7,773 9,777 1,782 1,786 1,789 1,790 1,793 24,794 4,795 1,796 5,802 3,803 1,807 1,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,859 1,864 5,868 21,876 2,877 1,878 1,880 1,881 1,882 1,883 1,893 4.4,896 1,898 1,901 12,902 9.617,903 4.417,904 2.74,907 1.318,908 1.188,909 0.908,910 3.225,911 8.338,912 3.332,913 3.922,914 4.422,915 4.972,916 5.46,917 5.727,918 6.105,919 6.356,920 6.401,921 6.363,922 1,923 39,924 7.783,926 3.321,927 0.026,929 7.631,931 15.217,933 13.034,936 2.131,937 44.75,938 0.001,941 270.735,942 93.428,943 21.135,945 36.145,948 93.428,949 306.88,950 21.135,951 42.411,952 22.651,953 28.429,954 25.145,955 25.31,956 18.534,957 258.964,959 270.735,960 114.563,961 36.145,964 247.193,965 59.687,968 31.476,969 83.087,972 270.735,973 57.28,974 93.428,977 270.735,978 22.588,979 73.964,980 18.011,981 36.145,982 270.735,983 57.28,984 93.428,986 0.615,987 0.371,988 0.2,989 0.108,990 21,991 10,992 0.043,993 2,994 2,995 1.333,996 3.074,997 175.487,998 0.333,999 12,1000 90.239,1005 14.668,1006 4.617,1007 2.04,1009 57.28,1010 5.971,1015 3.151,1017 18.011,1018 421.443,1019 27,1024 11.41,1028 -0.425,1031 44.738,1032 51.273,1034 0.268,1035 0.596,1036 0.812,1037 0.855,1038 0.855,1039 0.855,1040 4.687,1041 0.768,1042 5.82,1043 3.089,1044 4.317,1045 4.605,1046 2.544,1047 6.849,1048 4.217,1049 5.951,1050 0.395,1051 7.533,1052 1.929,1053 4.443,1054 4.732,1055 2.064,1056 8.453,1057 4.292,1058 7.338,1059 -0.088,1060 9.366,1061 0.611,1062 6.213,1063 6.755,1064 3.583,1065 11.603,1066 6.022,1067 8.758,1068 -0.23,1069 11.271,1070 -0.214,1071 7.091,1072 7.584,1073 3.674,1074 13.985,1075 6.862,1076 10.211,1077 -0.677,1078 13.223,1079 -0.589,1080 8.502,1081 9.23,1082 4.936,1083 16.829,1084 8.241,1085 11.688,1086 -0.908,1087 15.208,1088 -1.881,1089 9.665,1090 10.361,1091 5.313,1092 19.469,1093 9.374,1094 13.185,1095 -1,1096 17.218,1097 -2.685,1098 10.995,1099 11.88,1100 6.397,1101 22.247,1102 10.676,1103 3.842,1104 -1,1105 19.245,1106 -3,1107 12.265,1108 13.157,1109 6.937,1110 24.971,1111 11.916,1112 3.039,1113 15.951,1114 21.287,1115 -3.083,1116 13.587,1117 14.627,1118 7.905,1119 27.737,1120 13.21,1121 2.607,1122 11.413,1123 23.339,1124 4.228,1125 14.897,1126 15.979,1127 8.542,1128 30.489,1129 14.49,1130 2.454,1131 8.753,1132 25.401,1133 3.47,1134 16.225,1135 17.43,1136 9.437,1137 33.254,1138 15.789,1139 2.062,1140 7.43,1141 27.469,1142 3.04,1143 17.553,1144 18.822,1145 10.131,1146 36.016,1147 17.086,1148 1.606,1149 6.053,1150 29.543,1151 2.764,1152 18.887,1153 20.265,1154 10.982,1155 38.783,1156 18.389,1157 1.143,1158 5.009,1159 31.621,1160 2.577,1161 20.223,1162 21.678,1163 11.711,1164 41.549,1165 19.694,1166 3672,1167 5518,1168 14.216,1169 27.921,1170 36.251,1171 37.202,1172 38.996,1173 35.843,1174 35.832,1175 41.392,1176 9.205,1177 120.475,1178 34.027,1179 5.873,1180 6.11,1181 7.718,1182 5.869,1183 5.842,1184 7.228,1185 3.889,1186 24.922,1187 5.712,1188 13.252,1189 1.576,1190 1.617,1191 1.695,1192 1.558,1193 1.558,1194 1.8,1195 0.4,1196 5.238,1197 1.479,1198 4.123,1199 4.169,1200 4.064,1201 4.012,1202 7.435,1203 4.019,1204 3.775,1205 3.821,1206 3.694,1207 3.62,1208 4.835,1209 3.629,1210 3.536,1211 3.598,1212 3.448,1213 3.227,1214 4.477,1215 3.269,1216 3.347,1217 3.431,1218 3.169,1219 3.157,1220 4.25,1221 3.15,1222 3.291,1223 3.387,1224 3.116,1225 3.059,1226 4.079,1227 3.059,1228 2.994,1229 3.107,1230 2.77,1231 2.791,1232 3.934,1233 2.757,1234 2.969,1235 3.014,1236 2.709,1237 2.697,1238 3.823,1239 2.7,1240 2.874,1241 3.009,1242 2.583,1243 2.618,1244 3.497,1245 2.599,1246 0.213,1247 0.179,1248 0.355,1249 0.209,1250 0.167,1251 4.909,1252 0.184,1253 4.11,1254 0.095,1255 8.167,1256 0.694,1257 4.804,1258 0.161,1259 3.842,1260 4.228,1261 2.186,1262 15.951,1263 3.712,1264 1.903,1265 1.884,1266 2.007,1267 2.015,1268 1.311,1269 2.01,1270 1.727,1271 1.647,1272 1.941,1273 1.968,1274 1.259,1275 1.967,1276 1.609,1277 1.551,1278 1.828,1279 1.785,1280 1.027,1281 1.803,1282 1.403,1283 1.332,1284 1.69,1285 1.731,1286 0.684,1287 1.717,1288 1.239,1289 1.143,1290 1.587,1291 1.504,1292 0.66,1293 1.536,1294 1.034,1295 0.925,1296 1.461,1297 1.302,1298 0.596,1299 1.363,1300 0.934,1301 0.833,1302 1.417,1303 1.239,1304 0.469,1305 1.308,1306 0.878,1307 0.804,1308 1.162,1309 1.209,1310 0.333,1311 1.176,1312 3.85,1314 5.273,1315 3.045,1316 6.891,1317 5.687,1318 8.604,1319 8.009,1320 10.377,1322 10.647,1328 2.302,1329 2.484,1330 5.296,1332 0.433,1333 2.381,1334 0.107,1335 0.993,1340 26.025,1341 66.339,1342 147.185,1343 200.604,1344 211.359,1345 211.359,1346 211.359,1347 32.662,1348 7.02,1349 41.57,1350 41.57,1351 16,1352 12.92,1353 3,1354 2.322,1355 32.076,1356 58,1357 70,1358 0.291,1359 160.197,1360 278.72,1361 382.641,1362 8369,1364 15.414,1365 0.734,1366 0.642,1367 15.414,1368 13.487,1369 9.793,1370 0.426,1371 0.329,1372 7.411,1373 9.291,1374 7.046,1375 5.931,1376 9.793,1377 7.564,1378 10.03,1379 0.271,1380 0.196,1381 10.03,1382 7.238,1383 8.354,1384 0.161,1385 0.104,1386 8.354,1387 5.398,1388 7.389,1389 0.097,1390 0.06,1391 7.389,1392 4.592,1393 5.763,1394 0.061,1395 0.033,1396 5.763,1397 3.127,1398 0.433,1399 62.151,1400 0.265,1401 20.071,1402 0.875,1403 120,1404 289.782,1405 133.053,1406 276.533,1407 383.55,1408 258,1409 149,1410 294.106,1411 163.308,1412 298.439,1413 441.76,1414 277,1415 7.469}
{0 CHEMBL136669,1 1.377,2 6.563,3 1.463,4 2.139,5 63.365,6 6.176,7 0.375,8 3.623,9 3.76,10 3.013,11 3.067,12 4.642,13 3.018,14 4.182,15 4.414,16 3.36,17 3.428,18 5.155,19 3.368,20 4.387,21 4.579,22 3.388,23 3.633,24 5.396,25 3.526,26 4.577,27 4.849,28 3.301,29 3.654,30 5.46,31 3.502,32 4.441,33 4.684,34 3.134,35 3.557,36 5.369,37 3.382,38 4.469,39 4.784,40 2.766,41 3.293,42 5.228,43 3.083,44 3.902,45 4.18,46 2.68,47 2.964,48 4.88,49 2.817,50 3.863,51 4.083,52 2.151,53 2.832,54 4.994,55 2.648,56 0.027,57 0.474,58 8.762,59 3.338,60 6.053,61 4.828,62 0.251,63 0.722,64 15.496,65 4.994,66 21.095,67 7.535,68 0.166,69 0.87,70 18.912,71 6.887,72 26.122,73 9.808,74 0.307,75 0.935,76 22.425,77 7.638,78 36.248,79 11.259,80 0.125,81 0.843,82 19.398,83 7.209,84 27.951,85 10.431,86 0.381,87 0.696,88 20.098,89 6.05,90 35.558,91 9.066,92 0.082,93 0.47,94 11.18,95 3.826,96 17.151,97 5.726,98 0.239,99 0.413,100 11.368,101 3.292,102 40.939,103 4.761,104 43,105 23,106 0.259,107 0.534,108 0.713,109 0.738,110 0.738,111 0.738,112 2.852,113 1.061,114 -0.48,115 -0.6,116 -0.75,121 36.1,122 2,123 1,126 3,144 3,145 1,146 2,160 1,176 4,179 1,180 4,187 4,189 2,192 3,200 3,203 2,206 3,208 1,214 2,216 1,219 2,227 3,232 1,234 1,239 2,241 1,244 1,251 2,253 1,264 1,281 234,282 9.842,283 9.842,284 9.842,285 9.842,286 9.842,287 8.949,288 13.719,289 5.628,290 10.065,291 7.806,292 7.806,293 7.806,294 7.806,295 7.806,296 6.372,297 17.55,298 2.598,299 8.183,300 3.793,301 2.326,302 1.376,303 1.244,304 1.244,305 1.244,306 3.462,311 1,312 1,313 200,314 3.536,318 56.23,325 1.117,326 12.476,328 1,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 34.5,338 105,339 4.547,340 3.725,341 7.24,342 4.306,343 3.377,344 4.049,345 2.443,346 12.181,347 3.145,348 3.88,349 3.674,350 5.584,351 3.548,352 2.608,353 3.152,354 1.2,355 7.569,356 2.437,357 3.57,358 2.72,359 5.283,360 3.249,361 2.267,362 2.761,363 0.286,364 6.454,365 2.209,366 3.264,367 2.352,368 4.72,369 2.888,370 1.896,371 2.467,373 5.099,374 1.865,375 2.583,376 1.231,377 4.032,378 2.14,379 1.154,380 1.616,382 3.137,383 1.137,384 1.548,385 1.038,386 2.949,387 1.408,388 0.441,389 0.47,391 0.756,392 0.42,393 1.407,394 0.786,395 2.845,396 1.069,397 0.07,398 0.085,400 0.127,401 0.069,402 0.8,403 0.155,404 2.272,405 0.428,406 -0.551,407 -0.68,409 -1.413,410 -0.531,411 0.592,412 -0.58,413 2,414 0.138,415 -0.854,416 -1,418 -2.615,419 -0.844,421 -0.6,422 2,423 -0.1,424 -1,425 -1,427 -2.925,428 -0.9,430 -0.6,431 2,432 -0.1,433 -1,434 -1.167,436 -3,437 -0.9,438 -0.022,439 -0.782,440 1.62,441 -0.282,442 -1.299,443 -1.634,444 -0.4,445 -3,446 -1.279,447 -0.246,448 -1.046,449 1.265,450 -0.449,451 -1.454,452 -1.767,453 -0.4,454 -3.56,455 -1.488,456 -0.5,457 -1.4,458 1.051,459 -0.821,460 -1.746,461 -2.054,462 -0.4,463 -5.298,464 -1.613,465 -0.624,466 -1.594,467 0.691,468 -1,469 -1.909,470 -2.3,471 -0.998,472 -6.098,473 -1.728,474 7.567,475 0.473,476 0.658,477 0.041,478 17.75,479 1.109,480 8,481 0.5,482 9.75,483 0.609,484 12.941,485 0.809,486 19.133,487 0.531,488 12.339,489 0.771,490 3.606,491 0.225,492 3.735,493 0.233,494 0.374,495 0.053,496 0.264,501 0.785,502 1.714,503 0.981,504 1.442,505 0.652,506 1.263,507 0.865,508 0.794,509 0.784,510 0.724,511 0.42,512 0.71,513 1.236,514 1.368,515 1.226,516 1.332,517 1.033,518 1.289,519 1.014,520 0.852,521 0.967,522 0.879,523 0.957,524 0.911,525 0.796,526 1.399,527 1.159,528 1.451,529 0.872,530 1.372,531 1.423,532 0.638,533 0.965,534 0.655,535 0.933,536 0.746,537 0.714,538 1.092,539 0.838,540 1.081,541 0.963,542 0.985,543 2.562,544 1.042,545 1.892,546 1.146,547 4.198,548 1.396,549 5.5,551 2.222,552 1.563,553 0.911,554 0.528,555 0.427,556 0.153,559 1534,560 3424,561 1.782,562 55.6,563 6,564 12,568 2,572 1.554,573 1.587,574 2.728,575 -0.795,577 1,578 1,579 1,582 49.573,583 1.377,584 2.843,585 3.794,586 3.926,587 3.926,588 3.926,589 2.18,590 2.703,591 3.97,592 2.86,593 343.197,594 6.702,595 2982.59,597 1,599 1,600 186.117,601 1.805,602 3.843,603 0.344,605 0.097,606 0.071,607 0.046,608 0.035,609 0.043,610 0.015,613 0.65,614 0.83,615 1,616 1.656,617 63.971,618 0.026,619 -0.387,620 0.047,621 -0.209,622 -0.074,623 -0.1,624 0.162,625 0.364,626 0.248,627 0.287,628 0.233,629 0.294,630 -0.131,631 -0.24,632 -0.205,633 -0.222,634 -0.099,635 -0.226,636 -0.026,637 0.124,638 0.009,639 0.089,640 -0.032,641 0.058,642 -0.008,643 -0.375,644 -0.211,645 -0.398,646 -0.03,647 -0.341,648 -0.091,649 0.156,650 0.024,651 0.188,652 -0.083,653 0.124,654 0.068,655 -0.121,656 0.108,657 -0.11,658 0.225,659 -0.005,660 -0.59,661 -0.08,662 -0.785,663 -0.227,664 -0.708,665 -0.498,666 1.865,667 4.2,668 0.375,669 9.953,670 0.99,671 1.135,672 -0.753,673 0.568,674 0.615,675 2.833,676 3.178,677 3.258,678 3.401,679 3.497,680 3.367,681 3.434,682 2.996,683 2.303,684 1.386,685 4.19,686 0.568,687 222.34,688 2.833,689 4.369,690 5.165,691 6.047,692 6.872,693 7.756,694 8.594,695 9.476,696 10.321,697 11.202,698 2.8,712 1,715 3,720 3,722 6,741 36,743 7,744 1,745 16,747 36,748 13,749 6,750 3,751 3,756 1,757 1,763 2,770 1,772 7,773 6,777 1,782 1,786 1,790 1,793 20,794 2,796 3,802 1,803 1,807 1,808 1,809 2,829 1,846 1,859 1,864 5,868 16,876 1,878 1,883 1,893 5.6,896 1,898 1,901 10.083,902 8.083,903 3.528,904 2.319,907 1.308,908 1.24,909 0.867,910 3.841,911 6.75,912 3.045,913 3.597,914 3.994,915 4.459,916 4.914,917 4.921,918 5.133,919 4.815,920 4.202,921 2.784,922 1,923 22,924 5.9,926 2.292,927 0.026,929 7.76,931 11.301,933 8.534,936 2.26,937 36.167,938 0.003,941 235.422,942 92.18,945 36.145,948 92.18,949 271.567,951 42.84,952 2.535,953 28.429,954 32.336,955 22.186,957 235.422,959 235.422,960 92.18,961 36.145,964 235.422,965 36.145,968 20.185,969 71.995,972 235.422,973 36.145,974 92.18,977 235.422,978 20.912,979 71.268,981 36.145,982 235.422,983 36.145,984 92.18,986 0.595,987 0.316,988 0.146,989 0.078,990 10,991 6,992 0.111,993 4,995 1,996 2.617,997 99.262,999 6,1000 59.245,1005 12.886,1006 4.769,1007 3.423,1009 36.145,1010 5.752,1015 2.978,1018 363.747,1019 20,1024 11.2,1028 -0.198,1031 35.651,1032 40.862,1034 0.266,1035 0.55,1036 0.734,1037 0.759,1038 0.759,1039 0.759,1040 4.297,1041 -0.551,1042 5.252,1043 0.127,1044 3.85,1045 4.277,1046 2.562,1047 6.116,1048 3.755,1049 5.55,1050 -0.854,1051 6.872,1052 -1.413,1053 3.892,1054 4.35,1055 2.394,1056 7.466,1057 3.7,1058 6.894,1059 -1,1060 8.61,1061 -2.615,1062 5.587,1063 6.427,1064 3.886,1065 10.418,1066 5.361,1067 8.27,1068 -1,1069 10.417,1070 -2.925,1071 6.33,1072 7.16,1073 4.303,1074 12.512,1075 5.995,1076 9.671,1077 -1.299,1078 12.269,1079 -3,1080 7.669,1081 8.865,1082 5.499,1083 15.148,1084 7.289,1085 11.091,1086 -1.454,1087 14.152,1088 -3,1089 8.689,1090 9.902,1091 6.166,1092 17.507,1093 8.208,1094 12.526,1095 -1.746,1096 16.059,1097 -3.56,1098 9.927,1099 11.458,1100 7.211,1101 20.051,1102 9.389,1103 3.377,1104 -1.909,1105 17.984,1106 -5.298,1107 11.06,1108 12.656,1109 7.994,1110 22.502,1111 10.432,1112 2.608,1113 12.181,1114 19.922,1115 -6.098,1116 12.272,1117 14.138,1118 8.964,1119 25.017,1120 11.579,1121 2.267,1122 7.569,1123 21.871,1124 4.049,1125 13.452,1126 15.426,1127 9.802,1128 27.5,1129 12.677,1130 1.896,1131 6.454,1132 23.827,1133 3.152,1134 14.66,1135 16.869,1136 10.734,1137 30.005,1138 13.817,1139 1.154,1140 5.099,1141 25.789,1142 2.761,1143 15.859,1144 18.206,1145 11.6,1146 32.499,1147 14.94,1148 0.441,1149 3.137,1150 27.755,1151 2.467,1152 17.07,1153 19.629,1154 12.512,1155 35.001,1156 16.08,1157 0.07,1158 0.756,1159 29.725,1160 1.616,1161 18.278,1162 20.993,1163 13.391,1164 37.498,1165 17.214,1166 1749,1167 2707,1168 9.246,1169 22.148,1170 24.097,1171 24.859,1172 25.116,1173 23.743,1174 23.626,1175 29.201,1176 7.858,1177 70.643,1178 22.567,1179 5.345,1180 5.725,1181 6.791,1182 5.329,1183 5.377,1184 7.049,1185 4.174,1186 19.593,1187 5.145,1188 11.049,1189 1.506,1190 1.554,1191 1.57,1192 1.484,1193 1.477,1194 1.825,1195 0.491,1196 4.415,1197 1.41,1198 4.004,1199 4.045,1200 3.943,1201 3.897,1202 7.432,1203 3.903,1204 3.655,1205 3.709,1206 3.546,1207 3.432,1208 4.816,1209 3.446,1210 3.56,1211 3.623,1212 3.414,1213 3.372,1214 4.363,1215 3.371,1216 3.19,1217 3.262,1218 3.004,1219 3.019,1220 4.165,1221 3.005,1222 2.915,1223 3.009,1224 2.713,1225 2.647,1226 3.943,1227 2.637,1228 2.874,1229 3.009,1230 2.588,1231 2.618,1232 3.614,1233 2.601,1234 2.874,1235 2.965,1236 2.499,1237 2.618,1238 3.494,1239 2.57,1240 2.76,1241 2.831,1242 2.499,1243 2.586,1244 3.467,1245 2.57,1246 0.284,1247 0.233,1248 0.453,1249 0.269,1250 0.211,1251 4.547,1252 0.253,1253 3.725,1254 0.153,1255 7.24,1256 0.761,1257 4.306,1258 0.197,1259 3.377,1260 4.049,1261 2.443,1262 12.181,1263 3.145,1264 1.953,1265 1.921,1266 2.077,1267 2.099,1268 1.264,1269 2.095,1270 1.598,1271 1.538,1272 1.857,1273 1.839,1274 1.008,1275 1.842,1276 1.544,1277 1.469,1278 1.822,1279 1.75,1280 0.944,1281 1.778,1282 1.196,1283 1.126,1284 1.521,1285 1.424,1286 0.585,1287 1.459,1288 0.934,1289 0.804,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.934,1295 0.804,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.828,1301 0.772,1302 1.14,1303 1.169,1304 0.188,1305 1.153,1306 0.776,1307 0.715,1308 1.082,1309 0.971,1310 0.159,1311 1.013,1312 3.497,1314 4.828,1316 6.34,1318 7.936,1320 9.58,1322 10.122,1328 0.396,1330 5.205,1335 0.712,1340 20.456,1341 49.573,1342 102.366,1343 136.568,1344 141.323,1345 141.323,1346 141.323,1347 30.428,1348 5.442,1349 26.3,1350 26.3,1351 6,1352 11.745,1353 3,1354 2.322,1355 34.402,1356 41,1357 40,1358 0.457,1359 132.618,1360 229.54,1361 315.349,1362 1054,1364 12.345,1365 0.772,1366 0.672,1367 12.345,1368 10.756,1369 7.342,1370 0.459,1371 0.354,1372 5.561,1373 7.008,1374 5.211,1375 4.502,1376 7.342,1377 5.661,1378 7.378,1379 0.321,1380 0.22,1381 7.378,1382 5.054,1383 4.849,1384 0.194,1385 0.101,1386 4.849,1387 2.537,1388 3.566,1389 0.123,1390 0.058,1391 3.566,1392 1.676,1393 2.602,1394 0.081,1395 0.029,1396 2.602,1397 0.916,1398 0.682,1399 46.338,1400 0.329,1401 15.946,1402 1.346,1403 78,1404 213.804,1405 86.641,1406 203.303,1407 271.89,1408 188,1409 87,1410 199.881,1411 95.813,1412 202.227,1413 287.88,1414 187,1415 4.161}
{0 CHEMBL136719,1 1.406,2 5.733,3 0.796,4 0.633,5 58.738,6 6.312,7 0.4,8 3.543,9 3.677,10 2.954,11 2.981,12 4.592,13 2.94,14 4.092,15 4.321,16 3.312,17 3.338,18 5.113,19 3.292,20 4.279,21 4.449,22 3.332,23 3.563,24 5.301,25 3.468,26 4.509,27 4.778,28 3.288,29 3.629,30 5.354,31 3.479,32 4.441,33 4.683,34 3.097,35 3.546,36 5.396,37 3.363,38 4.466,39 4.793,40 2.564,41 3.203,42 5.271,43 2.956,44 3.77,45 4.096,46 2.266,47 2.656,48 4.705,49 2.469,50 3.461,51 3.695,52 1.265,53 2.287,54 4.635,55 2.034,56 0.019,57 0.436,58 7.935,59 2.998,60 5.56,61 4.331,62 0.245,63 0.66,64 14.149,65 4.419,66 22.255,67 6.691,68 0.161,69 0.8,70 16.928,71 6.222,72 23.775,73 8.737,74 0.254,75 0.904,76 20.899,77 7.38,78 25.242,79 10.873,80 0.117,81 0.84,82 19.405,83 7.215,84 27.502,85 10.443,86 0.401,87 0.664,88 20.366,89 5.871,90 46.468,91 8.942,92 0.11,93 0.363,94 9.844,95 3.028,96 19.233,97 4.682,98 0.168,99 0.242,100 7.56,101 2.148,102 34.385,103 3.064,104 42,105 22,106 0.27,107 0.533,108 0.657,109 0.719,110 0.719,111 0.719,112 2.795,113 1.021,114 -0.2,115 -0.35,116 -0.52,121 36.4,122 2,126 3,144 3,145 1,146 2,160 1,176 3,179 1,180 4,187 3,189 2,192 2,200 3,203 2,206 3,208 1,214 3,216 1,219 2,227 2,232 1,234 1,239 1,241 1,281 202,282 9.024,283 9.024,284 9.024,285 9.024,286 9.024,287 8.051,288 11.021,289 5.182,290 9.24,291 7.379,292 7.379,293 7.379,294 7.379,295 7.379,296 5.942,297 14.194,298 2.43,299 7.754,300 3.639,301 2.269,302 1.623,303 1.297,304 1.297,305 1.297,306 3.397,311 1,312 1,313 163,314 3.391,318 51.619,325 0.951,326 11.649,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 32.5,338 86,339 4.579,340 3.732,341 7.265,342 4.324,343 3.392,344 4.121,345 2.443,346 12.289,347 3.168,348 3.952,349 3.634,350 6.069,351 3.653,352 2.715,353 3.181,354 1.2,355 8.631,356 2.534,357 3.461,358 2.895,359 4.913,360 3.086,361 2.098,362 2.623,363 0.286,364 5.478,365 2.043,366 2.88,367 1.886,368 4.4,369 2.46,370 1.486,371 2.037,373 4.155,374 1.437,375 2.839,376 1.502,377 3.861,378 2.414,379 1.414,380 1.935,382 3.171,383 1.414,384 1.449,385 0.884,386 3.02,387 1.16,388 0.21,389 0.242,391 0.509,392 0.197,393 0.94,394 0.396,395 2.552,396 0.564,397 -0.401,398 -0.493,400 -1.001,401 -0.384,402 0.594,403 -0.073,404 2.217,405 0.117,406 -0.896,407 -1,409 -2,410 -0.849,411 0.266,412 -0.556,413 2,414 0.042,415 -1,416 -1,418 -2.327,419 -0.9,421 -0.6,422 2,423 -0.1,424 -1,425 -1.083,427 -3,428 -0.9,430 -0.6,431 1.816,432 -0.1,433 -1,434 -1.456,435 -0.4,436 -3,437 -1.098,438 -0.105,439 -1.124,440 1.291,441 -0.414,442 -1.414,443 -1.829,444 -0.4,445 -4,446 -1.414,447 -0.5,448 -1.303,449 1.11,450 -0.805,451 -1.715,452 -2.003,453 -0.4,454 -5.156,455 -1.526,456 -0.61,457 -1.593,458 1,459 -1,460 -1.889,461 -2.275,462 -0.998,463 -6.039,464 -1.722,465 -0.743,466 -2,467 0.486,468 -1,469 -2,470 -3,471 -1.731,472 -7.709,473 -2,474 7.067,475 0.471,476 0.68,477 0.045,478 17.25,479 1.15,480 8,481 0.533,482 9.25,483 0.617,484 11.555,485 0.77,486 17.833,487 0.54,488 11.92,489 0.795,490 3.68,491 0.245,492 3.14,493 0.209,494 0.401,495 0.057,496 0.283,501 0.786,502 1.731,503 0.951,504 1.438,505 0.65,506 1.246,507 0.875,508 0.73,509 0.735,510 0.647,511 0.382,512 0.633,513 1.318,514 1.387,515 1.308,516 1.352,517 1.124,518 1.337,519 0.745,520 0.898,521 0.911,522 0.934,523 0.488,524 0.943,525 0.744,526 1.43,527 1.181,528 1.499,529 0.794,530 1.423,531 1.325,532 0.654,533 0.969,534 0.678,535 1.255,536 0.77,537 0.798,538 0.743,539 0.749,540 0.782,541 1.074,542 0.751,543 2.493,544 1.186,545 1.961,546 1.316,547 4.497,548 1.551,549 5,551 2.222,552 1.688,553 0.991,554 0.472,555 0.325,559 1213,560 2955,561 1.769,562 54.5,563 3,564 12,568 3,572 1.537,573 1.565,574 2.575,575 -0.781,577 1,579 1,582 46.387,583 1.406,584 2.776,585 3.422,586 3.748,587 3.748,588 3.748,589 1.909,590 3.057,591 3.879,592 2.678,593 281.143,594 6.529,595 2324.5,597 1,600 166.465,601 1.806,602 3.74,603 0.333,605 0.101,606 0.08,607 0.05,608 0.034,609 0.046,613 0.644,614 1,615 1,616 1.437,617 57.609,618 0.019,619 -0.418,620 0.05,621 -0.227,622 -0.083,623 -0.108,624 0.157,625 0.424,626 0.289,627 0.346,628 0.274,629 0.355,630 -0.194,631 -0.232,632 -0.295,633 -0.226,634 -0.186,635 -0.273,636 0.027,637 0.098,638 0.032,639 0.059,640 0.042,641 0.049,642 -0.009,643 -0.421,644 -0.252,645 -0.453,646 -0.008,647 -0.398,648 -0.078,649 0.099,650 0.01,651 0.137,652 -0.109,653 0.087,654 0.037,655 0.102,656 0.188,657 0.076,658 0.187,659 0.153,660 -0.561,661 -0.353,662 -0.887,663 -0.435,664 -0.875,665 -0.686,666 1.948,667 3.899,668 0.4,669 7.893,670 0.993,671 1.135,672 -1.025,673 1.051,674 0.618,675 2.773,676 3.135,677 3.219,678 3.401,679 3.434,680 3.219,681 3.219,682 2.639,683 2.197,685 3.79,686 0.574,687 208.31,688 2.773,689 4.317,690 5.118,691 6.014,692 6.845,693 7.738,694 8.584,695 9.474,696 10.327,697 11.214,698 3,712 1,715 3,720 3,722 6,741 33,743 7,744 1,745 15,747 33,748 12,749 6,750 3,751 3,756 1,757 1,763 2,772 7,773 5,777 1,782 1,786 1,790 1,793 18,794 2,796 3,802 1,803 1,807 1,808 1,809 2,829 1,846 1,859 1,864 5,868 15,878 1,883 1,893 6.1,896 1,898 1,901 9.583,902 7.583,903 3.222,904 1.951,907 1.341,908 1.252,909 0.865,910 3.275,911 6.664,912 2.996,913 3.57,914 3.966,915 4.464,916 4.875,917 4.835,918 4.996,919 4.676,920 4.239,922 0.75,923 21,924 5.513,925 -0.001,926 2.139,927 0.026,929 7.811,931 10.484,933 7.876,934 -0.001,936 2.311,937 34.667,938 0.004,941 211.88,942 89.645,945 36.145,948 89.645,949 248.025,951 42.84,953 28.429,954 32.336,955 22.186,957 211.88,959 211.88,960 89.645,961 36.145,964 211.88,965 36.145,968 17.65,969 71.995,972 211.88,973 36.145,974 89.645,977 211.88,978 18.377,979 71.268,981 36.145,982 211.88,983 36.145,984 89.645,986 0.601,987 0.309,988 0.159,989 0.082,990 10,991 6,992 0.091,993 3,995 1,996 2.481,997 91.883,999 6,1000 53.848,1005 11.891,1006 4.131,1007 2.881,1009 36.145,1010 5.766,1015 2.807,1018 337.67,1019 19,1024 10.899,1028 -0.281,1031 32.767,1032 37.446,1034 0.279,1035 0.55,1036 0.678,1037 0.743,1038 0.743,1039 0.743,1040 4.256,1041 -0.896,1042 5.22,1043 -1.001,1044 3.807,1045 4.248,1046 2.562,1047 6.111,1048 3.707,1049 5.522,1050 -1,1051 6.858,1052 -2,1053 3.892,1054 4.35,1055 2.394,1056 7.503,1057 3.7,1058 6.875,1059 -1,1060 8.616,1061 -2.327,1062 5.565,1063 6.419,1064 3.886,1065 10.483,1066 5.329,1067 8.259,1068 -1,1069 10.444,1070 -3,1071 6.347,1072 7.196,1073 4.303,1074 12.592,1075 6.01,1076 9.671,1077 -1.414,1078 12.315,1079 -3,1080 7.685,1081 8.904,1082 5.499,1083 15.244,1084 7.3,1085 11.102,1086 -1.715,1087 14.213,1088 -4,1089 8.731,1090 9.992,1091 6.166,1092 17.601,1093 8.253,1094 12.55,1095 -1.889,1096 16.132,1097 -5.156,1098 9.971,1099 11.552,1100 7.211,1101 20.155,1102 9.439,1103 3.392,1104 -2,1105 18.065,1106 -6.039,1107 11.117,1108 12.795,1109 7.994,1110 22.603,1111 10.502,1112 2.715,1113 12.289,1114 20.008,1115 -7.709,1116 12.333,1117 14.285,1118 8.964,1119 25.126,1120 11.656,1121 2.098,1122 8.631,1123 21.959,1124 4.121,1125 13.518,1126 15.609,1127 9.802,1128 27.61,1129 12.767,1130 1.486,1131 5.478,1132 23.917,1133 3.181,1134 14.73,1135 17.062,1136 10.734,1137 30.123,1138 13.913,1139 1.414,1140 4.155,1141 25.879,1142 2.623,1143 15.933,1144 18.428,1145 11.6,1146 32.621,1147 15.044,1148 0.21,1149 3.171,1150 27.845,1151 2.037,1152 17.145,1153 19.864,1154 12.512,1155 35.131,1156 16.19,1157 -0.401,1158 0.509,1159 29.814,1160 1.935,1161 18.356,1162 21.253,1163 13.391,1164 37.635,1165 17.331,1166 1406,1167 2281,1168 8.553,1169 20.387,1170 23.117,1171 23.403,1172 23.856,1173 22.673,1174 22.629,1175 28.278,1176 7.858,1177 68.464,1178 21.585,1179 5.322,1180 5.732,1181 6.779,1182 5.324,1183 5.392,1184 7.121,1185 4.174,1186 19.998,1187 5.168,1188 10.342,1189 1.541,1190 1.56,1191 1.59,1192 1.512,1193 1.509,1194 1.885,1195 0.524,1196 4.564,1197 1.439,1198 4.003,1199 4.045,1200 3.944,1201 3.896,1202 7.434,1203 3.902,1204 3.632,1205 3.696,1206 3.515,1207 3.397,1208 4.815,1209 3.411,1210 3.468,1211 3.505,1212 3.348,1213 3.237,1214 4.362,1215 3.257,1216 3.168,1217 3.256,1218 2.96,1219 3.019,1220 4.126,1221 2.994,1222 2.874,1223 3.009,1224 2.63,1225 2.625,1226 3.865,1227 2.618,1228 2.874,1229 3.009,1230 2.499,1231 2.618,1232 3.626,1233 2.57,1234 2.79,1235 2.844,1236 2.499,1237 2.618,1238 3.467,1239 2.57,1240 2.514,1241 2.583,1242 2.263,1243 2.248,1244 3.467,1245 2.235,1246 0.305,1247 0.249,1248 0.484,1249 0.288,1250 0.226,1251 4.579,1252 0.275,1253 3.732,1254 0.163,1255 7.265,1256 0.819,1257 4.324,1258 0.211,1259 3.392,1260 4.121,1261 2.443,1262 12.289,1263 3.168,1264 1.952,1265 1.921,1266 2.075,1267 2.099,1268 1.264,1269 2.094,1270 1.579,1271 1.502,1272 1.833,1273 1.821,1274 0.948,1275 1.825,1276 1.397,1277 1.352,1278 1.682,1279 1.654,1280 0.693,1281 1.659,1282 1.207,1283 1.126,1284 1.551,1285 1.418,1286 0.602,1287 1.469,1288 0.934,1289 0.804,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.934,1295 0.804,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.768,1301 0.717,1302 1.022,1303 1.009,1304 0.103,1305 1.008,1306 0.469,1307 0.395,1308 0.767,1309 0.778,1311 0.781,1312 3.434,1314 4.779,1316 6.304,1318 7.92,1320 9.584,1322 9.634,1330 5.132,1335 0.709,1340 18.929,1341 46.387,1342 91.597,1343 112.916,1344 123.671,1345 123.671,1346 123.671,1347 25.811,1348 5.323,1349 26.3,1350 26.3,1351 6,1352 11.751,1353 3,1354 2.322,1355 30.9,1356 34,1357 30,1358 0.495,1359 123.026,1360 212.24,1361 291.944,1362 885,1364 11.638,1365 0.776,1366 0.67,1367 11.638,1368 10.049,1369 6.82,1370 0.455,1371 0.34,1372 5.006,1373 6.474,1374 4.657,1375 4.028,1376 6.82,1377 5.106,1378 7.152,1379 0.325,1380 0.217,1381 7.152,1382 4.772,1383 4.355,1384 0.181,1385 0.098,1386 4.355,1387 2.346,1388 3.614,1389 0.125,1390 0.058,1391 3.614,1392 1.692,1393 2.46,1394 0.082,1395 0.028,1396 2.46,1397 0.854,1398 0.721,1399 43.21,1400 0.342,1401 14.804,1402 1.52,1403 74,1404 209.804,1405 82.641,1406 199.111,1407 265.63,1408 184,1409 83,1410 194.881,1411 91.48,1412 197.27,1413 280.07,1414 182,1415 4.389}
{0 CHEMBL136916,1 1.27,2 5.1,3 -1.023,4 1.047,5 41.877,6 5.152,8 3.329,9 3.5,10 2.527,11 2.695,12 4.208,13 2.602,14 3.939,15 4.226,16 2.779,17 3.058,18 4.685,19 2.936,20 4.181,21 4.427,22 2.566,23 3.271,24 5.034,25 3.043,26 4.403,27 4.79,28 2.318,29 3.146,30 4.908,31 2.825,32 3.898,33 4.233,34 2.174,35 2.794,36 4.57,37 2.534,38 3.714,39 4.063,40 2.221,41 2.564,42 4.59,43 2.378,44 3.374,45 3.58,46 1.259,47 2.242,48 4.605,49 2.006,50 3.217,51 3.698,52 0.175,53 1.592,54 3.332,55 1.055,56 0.037,57 0.338,58 7.049,59 2.35,60 4.504,61 3.729,62 0.129,63 0.489,64 11.53,65 3.498,66 8.285,67 5.64,68 0.138,69 0.576,70 14.25,71 4.986,72 21.589,73 7.581,74 0.149,75 0.505,76 14.249,77 4.616,78 19.131,79 7.345,80 0.144,81 0.351,82 9.482,83 3.105,84 12.814,85 4.84,86 0.085,87 0.271,88 7.916,89 2.318,90 15.862,91 3.731,92 0.133,93 0.183,94 6.349,95 1.655,96 27.046,97 2.62,98 0.039,99 0.086,100 3.212,101 0.957,102 5.526,103 1.611,104 34,105 12,106 0.264,107 0.407,108 0.673,109 0.673,110 0.673,111 0.637,112 2.431,113 1.304,114 1.21,115 0.99,116 0.68,121 28.6,122 1,123 2,126 3,127 1,158 1,176 1,180 2,187 1,189 1,192 1,200 1,203 1,221 1,229 1,281 68,282 5.638,283 5.638,284 5.638,285 5.638,286 5.638,287 5.431,288 8.442,289 3.408,290 5.719,291 4.444,292 4.444,293 4.444,294 4.444,295 4.444,296 4.124,297 10.354,298 1.639,299 4.595,300 3.538,301 2.85,302 1.573,303 1.573,304 1.573,305 1.745,306 2.958,312 1,313 87,314 3.464,325 0.9,326 7.879,329 1,330 0.67,331 0.83,332 0.7,333 1,334 1,335 1,336 0.89,337 21.5,338 51,339 4.099,340 3.567,341 6.394,342 4.003,343 3.099,344 3.1,345 2.178,346 9.951,347 2.804,348 3.541,349 3.478,350 4.653,351 3.263,352 2.212,353 2.701,354 1.2,355 5.165,356 2.315,357 2.192,358 1.42,359 3.401,360 2.105,361 1.097,362 1.15,364 2.296,365 1.102,366 0.926,367 0.574,368 2.516,369 0.779,370 -0.215,371 -0.224,373 -0.506,374 -0.212,375 0.4,376 0.014,377 2,378 0.098,379 -1,380 -1,381 -0.4,382 -2,383 -0.9,385 -0.6,386 2,387 -0.1,388 -1,389 -1,390 -0.4,391 -3,392 -0.9,394 -0.6,395 1.52,396 -0.1,397 -1,398 -1.228,399 -0.4,400 -3,401 -1.088,402 -0.294,403 -0.832,404 1,405 -0.347,406 -1.316,407 -1.541,408 -0.68,409 -3.714,410 -1.278,411 -0.865,412 -1.659,413 0.517,414 -0.902,415 -1.877,416 -1.958,417 -1.498,418 -5.193,419 -1.844,474 4.733,475 0.473,476 0.497,477 0.05,478 7.25,479 0.725,480 1.5,481 0.15,482 5.75,483 0.575,484 8.46,485 0.846,486 13.567,487 0.485,488 4.29,489 0.429,490 1.523,491 0.152,492 2.893,493 0.289,494 0.493,495 0.085,496 0.106,501 0.741,502 2.201,503 1.254,504 1.813,505 0.6,506 1.616,507 1.171,508 0.814,509 1.042,510 0.789,511 0.469,512 0.846,513 1.255,514 1.585,515 1.58,516 1.668,517 1.39,518 1.674,519 0.51,520 0.643,521 0.611,522 0.653,523 0.503,524 0.645,525 0.607,526 0.959,527 0.864,528 0.971,529 0.844,530 0.961,531 0.871,532 0.66,533 0.6,534 0.679,535 0.718,536 0.604,537 3.832,538 1.475,539 2.383,540 1.624,541 4.788,542 1.86,549 4,551 0.889,552 0.5,553 0.24,554 0.333,559 385,560 740,561 1.578,562 64.3,564 11,568 5,569 2,572 1.381,573 1.412,574 2.398,575 -0.768,582 35.547,583 1.27,584 1.957,585 3.235,586 3.235,587 3.235,588 3.063,589 1.761,590 2.246,591 3.296,592 2.518,593 113.304,594 5.274,595 733.142,600 134.606,601 1.685,602 3.128,603 0.444,605 0.074,606 0.071,607 0.04,608 0.067,613 0.697,614 0.83,615 1,616 1.761,617 33.069,618 0.052,619 -0.611,620 -0.007,621 -0.325,622 -0.049,623 -0.199,624 -0.128,625 0.398,626 0.073,627 0.246,628 0.1,629 0.206,630 -0.208,631 -0.375,632 -0.501,633 -0.455,634 -0.209,635 -0.51,636 0.062,637 0.087,638 0.175,639 0.136,640 0.037,641 0.166,642 0.182,643 -0.067,644 0.032,645 -0.04,646 -0.026,647 -0.03,648 0.108,649 0.165,650 0.31,651 0.155,652 0.261,653 0.256,654 -0.757,655 -0.488,656 -1.078,657 -0.614,658 -0.785,659 -0.871,660 0.224,661 0.337,662 0.545,663 0.464,664 0.16,665 0.536,666 1.367,667 3.523,669 4.8,670 0.98,671 1.151,672 -2.436,673 5.934,674 0.569,675 2.303,676 2.565,677 2.079,678 1.946,679 1.792,680 1.946,685 3.518,686 0.508,687 144.27,688 2.303,689 3.761,690 4.394,691 5.22,692 5.878,693 6.708,694 7.372,695 8.205,696 8.872,697 9.707,698 3.6,712 1,741 28,743 1,745 9,747 27,748 8,763 1,770 2,772 1,773 7,777 1,782 1,786 1,793 18,794 1,796 2,802 1,803 1,807 1,809 1,841 1,864 4,868 10,876 3,883 1,893 3.6,896 1,901 7.083,902 6.167,903 2.208,904 1.792,907 0.149,908 1.037,909 0.805,910 3.584,911 4.174,912 2.398,913 2.708,914 2.197,915 2.079,916 1.946,917 2.303,922 1,923 7,924 3.7,925 0.02,926 1.316,927 -0.046,929 7.767,931 7.247,932 0.007,933 5.205,934 -0.023,935 0.003,936 2.267,937 22.667,938 0.032,941 211.88,942 46.323,945 25.145,948 46.323,949 237.025,951 34.014,952 7.175,954 30.278,957 211.88,959 211.88,960 46.323,961 25.145,964 188.338,965 48.687,968 16,969 30.323,972 211.88,973 25.145,974 46.323,977 211.88,978 12.308,979 34.014,981 25.145,982 211.88,983 25.145,984 46.323,986 0.58,987 0.194,988 0.066,989 0.034,990 4,991 3,992 0.148,993 4,996 2.021,997 40.358,1000 28.464,1005 9.636,1006 3.719,1007 8.787,1009 25.145,1018 283.347,1019 10,1024 10.523,1028 0.299,1031 27.44,1032 32.237,1034 0.264,1035 0.407,1036 0.673,1037 0.673,1038 0.673,1039 0.637,1040 3.611,1041 -1.316,1042 4.533,1043 -3,1044 3.219,1045 3.367,1046 2.339,1047 5.273,1048 3.149,1049 4.828,1050 -1.877,1051 6.084,1052 -3.714,1053 3.434,1054 3.611,1055 2.219,1056 6.783,1057 3.246,1058 6.142,1060 7.763,1061 -5.193,1062 4.92,1063 5.153,1064 3.431,1065 9.362,1066 4.7,1067 7.476,1069 9.51,1071 5.74,1072 5.969,1073 3.802,1074 11.476,1075 5.372,1076 8.829,1078 11.295,1080 6.963,1081 7.212,1082 4.806,1083 13.829,1084 6.536,1085 10.191,1087 13.102,1089 7.977,1090 8.208,1091 5.395,1092 16.082,1093 7.404,1094 11.561,1096 14.925,1098 9.131,1099 9.361,1100 6.287,1101 18.393,1102 8.476,1103 3.099,1105 16.757,1107 10.215,1108 10.424,1109 6.978,1110 20.679,1111 9.424,1112 2.212,1113 9.951,1114 18.596,1116 11.35,1117 11.549,1118 7.812,1119 22.98,1120 10.463,1121 1.097,1122 5.165,1123 20.439,1124 3.1,1125 12.461,1126 12.639,1127 8.55,1128 25.275,1129 11.449,1130 -0.215,1131 2.296,1132 22.286,1133 2.701,1134 13.591,1135 13.757,1136 9.355,1137 27.573,1138 12.476,1139 -1,1140 -0.506,1141 24.135,1142 1.15,1143 14.713,1144 14.861,1145 10.114,1146 29.87,1147 13.481,1148 -1,1149 -2,1150 25.986,1151 -0.224,1152 15.843,1153 15.978,1154 10.906,1155 32.168,1156 14.505,1157 -1,1158 -3,1159 27.838,1160 -1,1161 16.97,1162 17.091,1163 11.675,1164 34.466,1165 15.521,1166 506,1167 732,1168 4.564,1169 15.932,1170 12.997,1171 13.355,1172 12.895,1173 12.878,1174 12.816,1175 13.903,1176 6.757,1177 34.826,1178 12.443,1179 4.964,1180 5.225,1181 5.877,1182 4.906,1183 4.975,1184 5.058,1185 3.677,1186 15.144,1187 4.648,1188 7.14,1189 1.444,1190 1.484,1191 1.433,1192 1.431,1193 1.424,1194 1.545,1195 0.751,1196 3.87,1197 1.383,1198 3.869,1199 3.951,1200 3.734,1201 3.665,1202 7.427,1203 3.67,1204 3.623,1205 3.677,1206 3.497,1207 3.416,1208 4.407,1209 3.425,1210 3.189,1211 3.28,1212 2.954,1213 2.987,1214 3.914,1215 2.965,1216 2.874,1217 3.009,1218 2.499,1219 2.618,1220 3.638,1221 2.57,1222 2.874,1223 3.009,1224 2.499,1225 2.618,1226 3.467,1227 2.57,1228 2.669,1229 2.793,1230 2.324,1231 2.41,1232 3.467,1233 2.369,1234 2.272,1235 2.35,1236 2.007,1237 1.862,1238 2.98,1239 1.877,1240 1.945,1241 2.086,1242 1.451,1243 1.508,1244 2.264,1245 1.486,1246 0.455,1247 0.396,1248 0.71,1249 0.445,1250 0.344,1251 4.099,1252 0.344,1253 3.567,1254 0.242,1255 6.394,1256 1.106,1257 4.003,1258 0.312,1259 3.099,1260 3.1,1261 2.178,1262 9.951,1263 2.804,1264 1.81,1265 1.737,1266 2.043,1267 2.052,1268 1.337,1269 2.055,1270 1.585,1271 1.521,1272 1.843,1273 1.809,1274 1.023,1275 1.821,1276 1.209,1277 1.12,1278 1.58,1279 1.457,1280 0.684,1281 1.503,1282 0.934,1283 0.804,1284 1.417,1285 1.239,1286 0.469,1287 1.308,1288 0.934,1289 0.804,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.711,1295 0.589,1296 1.177,1297 1.02,1298 0.379,1299 1.08,1300 0.194,1301 0.085,1302 0.75,1303 0.616,1305 0.648,1308 0.223,1309 0.389,1311 0.37,1312 2.944,1314 4.205,1316 5.58,1318 7.002,1320 8.449,1322 8.066,1328 2.827,1335 0.952,1340 14.214,1341 35.547,1342 54.792,1343 90.567,1344 90.567,1345 90.567,1346 85.759,1347 22.973,1348 4.025,1349 17.07,1350 17.07,1352 10.319,1353 1,1354 1,1355 27.335,1356 21,1357 14,1358 0.71,1359 96.836,1360 165.43,1361 228.04,1362 139,1364 8.199,1365 0.82,1366 0.753,1367 8.199,1368 7.53,1369 4.417,1370 0.491,1371 0.435,1372 3.835,1373 4.192,1374 3.551,1375 3.129,1376 4.417,1377 3.911,1378 4.847,1379 0.404,1380 0.343,1381 4.847,1382 4.116,1383 1.708,1384 0.244,1385 0.208,1386 1.708,1387 1.456,1388 1.041,1389 0.173,1390 0.145,1391 1.041,1392 0.868,1393 0.51,1394 0.102,1395 0.078,1396 0.51,1397 0.39,1398 1.08,1399 28.003,1400 0.468,1401 10.391,1402 1.952,1403 42,1404 98.068,1405 45.88,1406 93.712,1407 112.34,1408 84,1409 40,1410 69.045,1411 44.326,1412 73.246,1413 94.04,1414 64,1415 4.072}
{0 CHEMBL137059,1 1.234,2 25.875,3 5.576,4 31.092,5 202.951,6 5.543,7 0.245,8 4.793,9 4.952,10 4.078,11 4.264,12 5.64,13 4.174,14 5.415,15 5.662,16 4.353,17 4.668,18 6.136,19 4.536,20 5.743,21 6.015,22 4.428,23 4.896,24 6.448,25 4.713,26 5.924,27 6.228,28 4.383,29 4.957,30 6.598,31 4.74,32 5.924,33 6.238,34 4.378,35 4.96,36 6.558,37 4.738,38 5.9,39 6.209,40 4.318,41 4.945,42 6.549,43 4.714,44 5.873,45 6.193,46 4.21,47 4.873,48 6.495,49 4.622,50 5.764,51 6.089,52 4.202,53 4.736,54 6.415,55 4.509,56 0.158,57 1.634,58 30.453,59 11.722,60 17.975,61 17.562,62 0.521,63 2.6,64 52.944,65 18.49,66 32.625,67 28.538,68 0.506,69 3.285,70 69.848,71 26.046,72 53.274,73 39.026,74 0.666,75 3.587,76 80.399,77 29.374,78 76.133,79 44.082,80 0.599,81 3.582,82 79.313,83 29.799,84 66.781,85 44.565,86 0.569,87 3.509,88 77.596,89 29.663,90 67.702,91 44.057,92 0.698,93 3.296,94 74.399,95 28.626,96 65.46,97 42.212,98 0.49,99 2.928,100 66.836,101 24.427,102 59.312,103 36.77,104 69,105 62,106 0.176,107 0.381,108 0.618,109 0.708,110 0.737,111 0.737,112 3.894,113 1.203,114 0.52,115 0.34,116 0.1,121 35,122 2,123 14,126 4,127 8,144 10,145 2,160 2,176 23,179 2,180 6,187 20,189 6,192 6,200 11,203 6,206 8,214 10,216 6,219 8,227 17,229 4,232 4,239 22,244 4,246 4,251 24,256 2,264 18,268 1,269 10,277 14,279 2,281 6812,282 32.02,283 32.02,284 32.02,285 32.02,286 32.02,287 30.258,288 35.468,289 19.743,290 32.538,291 23.984,292 23.984,293 23.984,294 23.984,295 23.984,296 21.37,297 40.175,298 9.247,299 24.71,300 5.673,301 4.238,302 2.573,303 1.942,304 1.738,305 1.738,306 4.565,312 1,313 2534,314 6.856,318 464.621,325 4.219,326 28.171,329 0.75,330 0.67,331 0.67,332 0.8,333 1,334 0.67,335 0.5,336 0.72,337 100,338 1242,339 4.305,340 3.7,341 6.982,342 4.193,343 3.279,344 3.527,345 1.94,346 11.816,347 2.999,348 4.305,349 3.7,350 6.982,351 4.193,352 3.279,353 3.527,354 1.94,355 11.816,356 2.999,357 3.897,358 3.666,359 5.872,360 3.679,361 2.71,362 3.135,363 1.26,364 7.931,365 2.62,366 3.897,367 3.666,368 5.872,369 3.679,370 2.71,371 3.135,372 1.26,373 7.931,374 2.619,375 3.794,376 2.583,377 5.295,378 3.402,379 2.409,380 3.063,381 0.555,382 6.778,383 2.388,384 3.794,385 2.583,386 5.295,387 3.402,388 2.409,389 3.063,390 0.555,391 6.778,392 2.388,393 2.934,394 2.234,395 4.155,396 2.903,397 1.903,398 2.033,399 0.245,400 4.048,401 1.901,402 2.879,403 2.219,404 4.137,405 2.771,406 1.782,407 2.033,408 0.245,409 3.95,410 1.758,411 2.878,412 1.795,413 3.861,414 2.699,415 1.71,416 1.932,418 3.558,419 1.689,420 2.816,421 1.72,422 3.827,423 2.545,424 1.541,425 1.812,427 3.236,428 1.543,429 2.707,430 1.717,431 3.761,432 2.442,433 1.445,434 1.707,436 3.105,437 1.44,438 2.601,439 1.533,440 3.663,441 2.434,442 1.436,443 1.585,445 3.049,446 1.433,447 2.5,448 1.533,449 3.654,450 2.339,451 1.342,452 1.5,454 2.96,455 1.33,456 2.5,457 1.366,458 3.456,459 2.128,460 1.146,461 1.5,463 2.478,464 1.121,465 2.476,466 1.103,467 3.332,468 2,469 1,470 1.433,472 2.136,473 1,474 23.267,475 0.485,476 0.992,477 0.021,478 43.5,479 0.906,480 15,481 0.313,482 28.5,483 0.594,484 66.017,485 1.375,486 58.333,487 0.486,488 33.845,489 0.705,490 7.764,491 0.162,492 15.33,493 0.319,494 0.158,495 0.034,496 0.12,501 0.818,502 1.718,503 1.157,504 1.452,505 0.595,506 1.345,507 1.165,508 1.118,509 1.163,510 1.055,511 0.554,512 1.083,513 1.083,514 1.183,515 1.142,516 1.169,517 0.919,518 1.158,519 1.271,520 1.01,521 1.062,522 1.004,523 1.361,524 1.018,525 0.965,526 0.95,527 0.969,528 0.958,529 0.948,530 0.963,531 0.954,532 1.014,533 1.038,534 1.044,535 1.001,536 1.048,537 0.791,538 0.937,539 0.977,540 0.999,541 1.003,542 1.006,543 0.867,544 1.014,545 0.85,546 0.965,547 0.988,548 0.917,549 9.5,550 0.273,551 4.667,552 2.75,553 1.822,554 0.986,555 0.689,556 0.549,557 0.436,558 0.291,559 58621,560 98145,561 1.929,562 60,563 16,564 38,568 4,569 14,572 1.832,573 1.811,574 4.581,575 -0.87,582 148.115,583 1.234,584 2.668,585 4.333,586 4.965,587 5.169,588 5.169,589 3.97,590 4.335,591 5.56,592 4.853,593 5474.27,594 9.806,595 139304,600 828.827,601 1.387,602 5.507,603 0.194,604 0.006,605 0.075,606 0.044,607 0.031,608 0.017,609 0.013,610 0.012,611 0.009,612 0.006,613 0.406,614 0.5,615 0.75,616 0.738,617 305.568,618 0.079,619 -0.302,620 0.045,621 -0.128,622 0.009,623 -0.061,624 0.01,625 0.107,626 -0.036,627 0.03,628 0.052,629 0.002,630 -0.057,631 -0.088,632 -0.094,633 -0.106,634 -0.001,635 -0.102,636 -0.089,637 -0.027,638 -0.057,639 -0.023,640 -0.09,641 -0.036,642 -0.035,643 0.021,644 0.006,645 0.022,646 -0.03,647 0.018,648 -0.052,649 -0.033,650 -0.061,651 -0.046,652 -0.057,653 -0.053,654 0.089,655 0.004,656 -0.022,657 -0.027,658 -0.048,659 -0.034,660 0.09,661 -0.09,662 0.105,663 -0.014,664 0.045,665 0.038,666 1.374,667 5.626,668 0.25,669 99.076,670 0.976,671 1.138,672 -1.748,673 3.054,674 0.607,675 3.912,676 4.143,677 4.248,678 4.29,679 4.357,680 4.234,681 4.22,682 4.263,683 4.159,684 4.043,685 15.107,686 0.545,687 665.18,688 3.912,689 5.407,690 6.184,691 7.002,692 7.794,693 8.617,694 9.414,695 10.241,696 11.041,697 11.871,698 3.3,705 2,712 2,715 10,720 2,722 12,741 120,743 14,744 2,745 49,747 121,748 42,749 12,750 2,751 10,756 2,757 2,763 2,770 14,772 14,773 28,777 2,782 2,786 2,793 72,794 4,796 6,802 4,803 2,807 2,808 1,809 2,829 2,844 2,859 2,864 6,868 48,876 22,881 2,883 2,893 1.7,896 2,901 26.5,902 22.567,903 11.222,904 8.506,907 1.241,908 1.168,909 0.895,910 20.814,911 8.651,912 4.06,913 4.431,914 4.714,915 4.985,916 5.327,917 5.051,918 5.154,919 5.333,920 5.047,921 4.837,922 0.941,923 63,924 17.946,926 7.034,927 0.026,929 7.431,931 36.178,933 28.866,936 1.931,937 92.667,941 847.519,942 214.108,943 6.249,945 50.29,948 214.108,949 897.809,950 6.249,951 51.236,952 58.578,953 94.762,954 59.699,955 6.371,957 847.519,959 847.519,960 220.357,961 50.29,964 682.724,965 215.085,968 76.228,969 144.128,972 847.519,973 56.538,974 214.108,977 847.519,978 68.11,979 152.247,981 50.29,982 847.519,983 56.538,984 214.108,986 0.558,987 0.312,988 0.143,989 0.072,990 18,991 10,992 0.223,993 27,995 1,996 5.991,997 404.321,999 12,1000 212.078,1005 41.806,1006 23.898,1007 18.283,1009 56.538,1010 21.571,1015 2.805,1018 1118.17,1019 57,1024 25.251,1028 0.586,1031 117.104,1032 136.529,1034 0.179,1035 0.386,1036 0.627,1037 0.719,1038 0.748,1039 0.748,1040 5.273,1041 1.782,1042 6.155,1043 4.048,1044 4.828,1045 5.118,1046 2.96,1047 6.897,1048 4.765,1049 6.401,1050 1.71,1051 7.686,1052 3.95,1053 4.443,1054 4.718,1055 2.54,1056 8.131,1057 4.244,1058 7.663,1059 1.541,1060 9.343,1061 3.558,1062 6.425,1063 7.004,1064 3.773,1065 11.033,1066 6.245,1067 8.962,1068 1.445,1069 11.083,1070 3.236,1071 6.929,1072 7.381,1073 3.926,1074 13.13,1075 6.584,1076 10.298,1077 1.436,1078 12.881,1079 3.105,1080 8.375,1081 9.186,1082 4.881,1083 15.678,1084 8.029,1085 11.657,1086 1.342,1087 14.716,1088 3.049,1089 9.262,1090 9.886,1091 5.279,1092 18.034,1093 8.756,1094 13.034,1095 1.146,1096 16.578,1097 2.96,1098 10.522,1099 11.498,1100 6.102,1101 20.513,1102 9.981,1103 3.279,1104 1,1105 18.458,1106 2.478,1107 11.574,1108 12.361,1109 6.625,1110 22.946,1111 10.892,1112 3.279,1113 11.816,1114 20.352,1115 2.136,1116 12.771,1117 13.87,1118 7.375,1119 25.413,1120 12.026,1121 2.71,1122 11.816,1123 22.255,1124 3.527,1125 13.893,1126 14.831,1127 7.965,1128 27.87,1129 13.024,1130 2.71,1131 7.931,1132 24.166,1133 3.527,1134 15.072,1135 16.275,1136 8.675,1137 30.337,1138 14.124,1139 2.409,1140 7.931,1141 26.083,1142 3.135,1143 16.226,1144 17.305,1145 9.299,1146 32.802,1147 15.165,1148 2.409,1149 6.778,1150 28.005,1151 3.135,1152 17.403,1153 18.703,1154 9.987,1155 35.27,1156 16.253,1157 1.903,1158 6.778,1159 29.93,1160 3.063,1161 18.572,1162 19.786,1163 10.63,1164 37.738,1165 17.316,1166 57966,1167 75130,1168 31.545,1169 72.819,1170 68.79,1171 69.61,1172 72.425,1173 68.498,1174 68.313,1175 78.668,1176 16.003,1177 179.116,1178 66.494,1179 5.298,1180 5.7,1181 6.872,1182 5.216,1183 5.279,1184 6.527,1185 3.348,1186 18.186,1187 4.999,1188 29.332,1189 1.404,1190 1.421,1191 1.478,1192 1.398,1193 1.394,1194 1.605,1195 0.327,1196 3.655,1197 1.357,1198 4.024,1199 4.084,1200 3.924,1201 3.908,1202 7.429,1203 3.905,1204 3.956,1205 4.011,1206 3.869,1207 3.859,1208 7.425,1209 3.854,1210 3.848,1211 3.904,1212 3.733,1213 3.715,1214 4.774,1215 3.708,1216 3.804,1217 3.857,1218 3.692,1219 3.657,1220 4.744,1221 3.654,1222 3.776,1223 3.836,1224 3.649,1225 3.636,1226 4.361,1227 3.625,1228 3.741,1229 3.804,1230 3.63,1231 3.547,1232 4.325,1233 3.557,1234 3.676,1235 3.738,1236 3.532,1237 3.502,1238 4.262,1239 3.505,1240 3.579,1241 3.655,1242 3.401,1243 3.424,1244 4.193,1245 3.409,1246 0.088,1247 0.076,1248 0.142,1249 0.086,1250 0.067,1251 4.305,1252 0.072,1253 3.7,1254 0.04,1255 6.982,1256 0.241,1257 4.193,1258 0.061,1259 3.279,1260 3.527,1261 1.94,1262 11.816,1263 2.999,1264 1.944,1265 1.904,1266 2.103,1267 2.102,1268 1.434,1269 2.106,1270 1.944,1271 1.904,1272 2.103,1273 2.101,1274 1.433,1275 2.106,1276 1.82,1277 1.761,1278 2.053,1279 1.994,1280 1.409,1281 2.013,1282 1.796,1283 1.738,1284 2,1285 1.956,1286 1.269,1287 1.969,1288 1.78,1289 1.718,1290 1.993,1291 1.927,1292 1.258,1293 1.952,1294 1.702,1295 1.636,1296 1.927,1297 1.905,1298 1.215,1299 1.917,1300 1.659,1301 1.593,1302 1.9,1303 1.857,1304 1.066,1305 1.875,1306 1.594,1307 1.521,1308 1.87,1309 1.786,1310 1.062,1311 1.821,1312 4.595,1314 5.849,1316 7.279,1318 8.783,1320 10.327,1322 13.195,1328 23.267,1333 3.878,1335 2.114,1340 65.426,1341 148.115,1342 320.209,1343 520.02,1344 595.768,1345 620.298,1346 620.298,1347 196.927,1348 7.41,1349 40.62,1350 40.62,1351 12,1352 12.451,1353 3.907,1354 3.17,1355 152.589,1356 450,1357 354,1358 0.154,1359 413.54,1360 731.74,1361 1000.8,1362 23671,1364 35.092,1365 0.731,1366 0.668,1367 35.092,1368 32.041,1369 23.094,1370 0.471,1371 0.401,1372 19.455,1373 22.458,1374 18.779,1375 15.92,1376 23.094,1377 19.653,1378 19.551,1379 0.315,1380 0.25,1381 19.551,1382 15.526,1383 15.111,1384 0.219,1385 0.161,1386 15.111,1387 11.085,1388 10.19,1389 0.142,1390 0.097,1391 10.19,1392 7.003,1393 7.444,1394 0.097,1395 0.061,1396 7.444,1397 4.713,1398 0.268,1399 142.599,1400 0.178,1401 44.432,1402 0.365,1403 222,1404 437.427,1405 235.476,1406 430.594,1407 576.08,1408 402,1409 242,1410 406.146,1411 257.977,1412 419.182,1413 589.92,1414 390,1415 7.43}
{0 CHEMBL137560,1 1.335,2 4.833,3 0.761,4 0.579,5 49.3,6 5.938,7 0.5,8 3.379,9 3.525,10 2.733,11 2.824,12 4.406,13 2.765,14 3.909,15 4.153,16 3.082,17 3.213,18 4.798,19 3.145,20 4.13,21 4.317,22 3.099,23 3.447,24 5.141,25 3.31,26 4.41,27 4.719,28 2.774,29 3.381,30 5.208,31 3.144,32 4.107,33 4.436,34 2.458,35 3.002,36 4.887,37 2.766,38 3.656,39 3.93,40 1.854,41 2.509,42 4.63,43 2.317,44 3.256,45 3.58,46 0.947,47 2.215,48 3.829,49 1.851,50 3.217,51 3.698,52 0.175,53 1.592,54 3.332,55 1.055,56 0.043,57 0.375,58 7.027,59 2.513,60 7.375,61 3.773,62 0.115,63 0.579,64 11.682,65 3.799,66 9.021,67 5.908,68 0.084,69 0.717,70 14.538,71 5.713,72 17.347,73 8.239,74 0.219,75 0.735,76 18.038,77 6.413,78 30.246,79 9.562,80 0.111,81 0.512,82 13.066,83 4.494,84 20.985,85 6.795,86 0.18,87 0.302,88 8.861,89 2.409,90 25.74,91 3.617,92 0.028,93 0.22,94 5.25,95 2.106,96 6.908,97 3.143,98 0.048,99 0.137,100 4.546,101 1.46,102 7.241,103 2.379,104 27,105 18,106 0.27,107 0.557,108 0.662,109 0.696,110 0.696,111 0.696,112 2.598,113 1.053,114 0.25,115 0.09,116 -0.13,121 35.7,122 1,126 3,144 3,145 1,146 2,176 3,185 2,187 4,189 2,197 2,200 3,203 1,211 1,213 1,216 1,229 1,281 102,282 7.11,283 7.11,284 7.11,285 7.11,286 7.11,287 6.32,288 9.911,289 3.948,290 7.271,291 5.875,292 5.875,293 5.875,294 5.875,295 5.875,296 4.734,297 13.938,298 1.851,299 6.173,300 3.472,301 2.046,302 1.528,303 1.359,304 1.359,305 1.359,306 3.178,311 1,312 1,313 110,314 2.739,318 38.571,325 0.861,326 7.421,329 1,330 0.83,331 0.83,332 0.9,333 1,334 1,335 1,336 0.94,337 25.5,338 58,339 4.474,340 3.659,341 7.118,342 4.247,343 3.325,344 3.975,345 1.2,346 11.695,347 3.073,348 4.003,349 2.944,350 5.883,351 3.656,352 2.689,353 3.316,355 8,356 2.591,357 2.914,358 1.735,359 4.592,360 2.549,361 1.575,362 2.032,364 4.626,365 1.531,366 2.817,367 1.669,368 4.037,369 2.384,370 1.414,371 1.94,373 3.512,374 1.365,375 1.347,376 0.449,377 2.878,378 1.057,379 0.099,380 0.118,382 0.216,383 0.094,384 0.729,385 -0.354,386 2.375,387 0.311,388 -0.644,389 -0.817,391 -1.703,392 -0.607,393 0.024,394 -0.6,395 2,396 -0.1,397 -1,398 -1,400 -3,401 -0.9,403 -0.6,404 2,405 -0.1,406 -1,407 -1,409 -3,410 -0.9,412 -0.955,413 2,414 -0.254,415 -1.228,416 -1.459,418 -3.258,419 -1.188,420 -0.172,421 -1.197,422 1.281,423 -0.477,424 -1.414,425 -1.847,426 -0.4,427 -4.028,428 -1.337,429 -0.5,430 -1.611,431 1.13,432 -0.874,433 -1.816,434 -2.256,435 -0.4,436 -6.073,437 -1.721,438 -0.636,439 -2,440 0.706,441 -1,442 -2,443 -3,444 -0.4,445 -6.987,446 -2,474 5.733,475 0.478,476 0.59,477 0.049,478 13.75,479 1.146,480 6.5,481 0.542,482 7.25,483 0.604,484 8.248,485 0.687,486 14.367,487 0.513,488 8.702,489 0.725,490 2.909,491 0.242,492 2.5,493 0.208,494 0.407,495 0.07,496 0.262,501 1.096,502 1.673,503 1.081,504 1.337,505 1.112,506 1.225,507 1.115,508 0.697,509 0.826,510 0.606,511 0.465,512 0.639,513 0.918,514 1.561,515 1.344,516 1.588,517 0.912,518 1.524,519 0.822,520 0.954,521 0.978,522 1.007,523 1.059,524 1.017,525 0.748,526 0.94,527 0.805,528 0.96,529 0.757,530 0.9,531 3.085,532 0.662,533 1.573,534 0.739,535 3.257,536 0.972,537 0.169,538 1.309,539 1.179,540 1.446,541 0.345,542 1.433,549 4.5,551 2.222,552 0.938,553 0.773,554 0.354,559 642,560 1297,561 1.757,562 57.1,563 3,564 12,567 1,572 1.461,573 1.548,574 2.36,575 -0.244,579 1,582 37.387,583 1.335,584 2.761,585 3.279,586 3.449,587 3.449,588 3.449,589 1.855,590 2.522,591 3.561,592 2.413,593 159.226,594 5.87,595 1109.39,597 1,600 134.606,601 1.825,602 3.407,603 0.375,605 0.123,606 0.059,607 0.077,608 0.051,613 0.685,614 1,615 1,616 1.124,617 41.2,618 -0.035,619 -0.351,620 0.018,621 -0.129,622 -0.185,623 -0.069,624 -0.102,625 0.504,626 0.229,627 0.408,628 0.148,629 0.376,630 -0.078,631 -0.37,632 -0.33,633 -0.42,634 -0.042,635 -0.405,636 0.067,637 -0.072,638 -0.053,639 -0.076,640 -0.086,641 -0.082,642 0.082,643 -0.112,644 0.101,645 -0.07,646 0.136,647 0.008,648 -0.599,649 0.178,650 -0.468,651 0.074,652 -0.549,653 -0.154,654 0.023,655 -0.452,656 -0.359,657 -0.492,658 -0.083,659 -0.474,660 0.279,661 0.478,662 0.736,663 0.634,664 0.288,665 0.724,666 1.291,667 3.453,668 0.5,669 5.25,670 0.984,671 1.136,672 -1.484,673 2.201,674 0.613,675 2.565,676 2.944,677 2.996,678 2.996,679 3.178,680 2.996,681 2.398,685 3.189,686 0.56,687 166.27,688 2.565,689 4.111,690 4.905,691 5.784,692 6.611,693 7.483,694 8.319,695 9.187,696 10.027,697 10.894,698 3.6,712 1,715 3,720 3,722 6,738 1,741 28,743 6,744 1,745 12,747 28,748 10,749 6,750 3,751 3,756 1,757 1,763 1,772 6,773 4,793 16,794 1,795 1,796 2,802 1,803 1,807 1,808 1,809 1,829 1,859 1,864 4,868 12,875 1,883 1,893 3.6,895 1,901 7.75,902 6.2,903 2.528,904 1.619,907 1.211,908 1.248,909 0.843,910 2.22,911 6.101,912 2.773,913 3.384,914 3.812,915 4.21,916 4.707,917 4.627,918 4.239,922 1,923 16,924 4.414,925 0.006,926 1.723,927 0.026,929 7.708,931 8.498,932 0.002,933 6.519,934 0.004,936 2.208,937 26.5,938 0.014,941 176.567,942 68.385,945 42.683,948 68.385,949 219.25,951 34.014,953 28.429,954 42.683,955 5.942,957 176.567,959 176.567,960 68.385,961 42.683,964 176.567,965 42.683,968 8.825,969 59.56,972 176.567,973 42.683,974 68.385,977 176.567,978 5.942,979 62.443,981 42.683,982 176.567,983 42.683,984 68.385,986 0.617,987 0.323,988 0.123,989 0.074,990 9,991 5,992 0.036,993 1,995 1,996 2.2,997 65.939,999 6,1000 38.265,1005 9.233,1006 2.885,1007 2.068,1009 42.683,1010 5.79,1015 2.408,1017 42.683,1018 287.635,1019 15,1031 27.556,1032 31.822,1034 0.278,1035 0.574,1036 0.682,1037 0.717,1038 0.717,1039 0.717,1040 4.034,1041 -1,1042 5.03,1043 -3,1044 3.611,1045 4.06,1046 1.072,1047 5.911,1048 3.512,1049 5.319,1050 -1.228,1051 6.676,1052 -3,1053 3.761,1054 4.182,1055 0.931,1056 7.334,1057 3.547,1058 6.681,1059 -1.414,1060 8.44,1061 -3.258,1062 5.398,1063 6.27,1064 1.148,1065 10.229,1066 5.168,1067 8.075,1068 -1.816,1069 10.268,1070 -4.028,1071 6.217,1072 7.025,1073 1.241,1074 12.334,1075 5.858,1076 9.492,1077 -2,1078 12.134,1079 -6.073,1080 7.532,1081 8.75,1082 1.386,1083 14.916,1084 7.143,1085 10.925,1087 14.025,1088 -6.987,1089 8.582,1090 9.784,1091 1.521,1092 17.247,1093 8.076,1094 12.37,1096 15.931,1098 9.805,1099 11.348,1100 1.668,1101 19.741,1102 9.247,1103 3.325,1105 17.851,1107 10.939,1108 12.527,1109 1.818,1110 22.153,1111 10.279,1112 2.689,1113 11.695,1114 19.779,1116 12.136,1117 14.006,1118 1.973,1119 24.621,1120 11.409,1121 1.575,1122 8,1123 21.713,1124 3.975,1125 13.304,1126 15.266,1127 2.132,1128 27.062,1129 12.483,1130 1.414,1131 4.626,1132 23.654,1133 3.316,1134 14.496,1135 16.699,1136 2.294,1137 29.523,1138 13.6,1139 0.099,1140 3.512,1141 25.598,1142 2.032,1143 15.679,1144 18.006,1145 2.46,1146 31.975,1147 14.694,1148 -0.644,1149 0.216,1150 27.546,1151 1.94,1152 16.871,1153 19.414,1154 2.628,1155 34.434,1156 15.808,1157 -1,1158 -1.703,1159 29.496,1160 0.118,1161 18.062,1162 20.75,1163 2.798,1164 36.89,1165 16.913,1166 769,1167 1137,1168 6.762,1169 17.171,1170 18.61,1171 18.298,1172 19.26,1173 18.288,1174 18.205,1175 22.76,1176 2.4,1177 56.098,1178 17.306,1179 5.111,1180 5.659,1181 6.412,1182 5.247,1183 5.325,1184 6.975,1185 1.6,1186 18.682,1187 5.073,1188 7.843,1189 1.551,1190 1.525,1191 1.605,1192 1.524,1193 1.517,1194 1.897,1195 0.2,1196 4.675,1197 1.442,1198 3.992,1199 4.036,1200 3.927,1201 3.888,1202 6.469,1203 3.892,1204 3.631,1205 3.704,1206 3.496,1207 3.42,1208 4.665,1209 3.428,1210 3.084,1211 3.179,1212 2.852,1213 2.918,1214 4.263,1215 2.89,1216 2.933,1217 3.009,1218 2.806,1219 2.746,1220 3.767,1221 2.749,1222 2.874,1223 3.009,1224 2.499,1225 2.618,1226 3.486,1227 2.57,1228 2.874,1229 2.971,1230 2.499,1231 2.618,1232 3.467,1233 2.57,1234 2.495,1235 2.57,1236 2.25,1237 2.234,1238 3.467,1239 2.222,1240 2.045,1241 2.15,1242 1.737,1243 1.546,1244 2.862,1245 1.585,1246 0.373,1247 0.305,1248 0.593,1249 0.354,1250 0.277,1251 4.474,1252 0.331,1253 3.659,1254 0.1,1255 7.118,1256 0.975,1257 4.247,1258 0.256,1259 3.325,1260 3.975,1261 1.2,1262 11.695,1263 3.073,1264 1.946,1265 1.913,1266 2.072,1267 2.093,1268 1.244,1269 2.09,1270 1.599,1271 1.518,1272 1.853,1273 1.821,1274 0.977,1275 1.836,1276 1.122,1277 1.033,1278 1.484,1279 1.35,1280 0.552,1281 1.401,1282 0.934,1283 0.839,1284 1.417,1285 1.239,1286 0.469,1287 1.308,1288 0.934,1289 0.804,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.883,1295 0.804,1296 1.139,1297 1.14,1298 0.159,1299 1.131,1300 0.455,1301 0.381,1302 0.791,1303 0.784,1305 0.796,1308 0.523,1309 0.416,1311 0.462,1312 3.219,1314 4.575,1316 6.111,1318 7.722,1320 9.367,1322 8.118,1327 9.453,1335 0.73,1340 15.687,1341 37.387,1342 77.322,1343 91.812,1344 96.567,1345 96.567,1346 96.567,1347 17.453,1348 4.89,1349 20.23,1350 20.23,1351 6,1352 11.445,1353 2.807,1354 2,1355 21.834,1356 23,1357 18,1358 0.534,1359 102.773,1360 171.49,1361 242.525,1362 480,1364 9.353,1365 0.779,1366 0.682,1367 9.353,1368 8.179,1369 5.41,1370 0.451,1371 0.351,1372 4.138,1373 5.202,1374 3.844,1375 3.345,1376 5.41,1377 4.212,1378 5.831,1379 0.324,1380 0.236,1381 5.831,1382 4.251,1383 3.823,1384 0.201,1385 0.109,1386 3.823,1387 2.075,1388 2.334,1389 0.123,1390 0.057,1391 2.334,1392 1.076,1393 1.892,1394 0.082,1395 0.031,1396 1.892,1397 0.724,1398 0.761,1399 33.93,1400 0.385,1401 11.792,1402 1.676,1403 60,1404 130.483,1405 64.213,1406 131.327,1407 175.99,1408 120,1409 67,1410 130.002,1411 72.324,1412 137.204,1413 191.71,1414 125,1415 5.507}
{0 CHEMBL137561,1 1.335,2 4.333,3 0.761,4 0.579,5 49.3,6 5.938,7 0.5,8 3.379,9 3.525,10 2.733,11 2.824,12 4.406,13 2.765,14 3.909,15 4.153,16 3.082,17 3.213,18 4.81,19 3.145,20 4.13,21 4.317,22 3.092,23 3.45,24 5.105,25 3.311,26 4.406,27 4.718,28 2.926,29 3.441,30 5.134,31 3.229,32 4.206,33 4.485,34 2.585,35 3.224,36 5.092,37 2.984,38 4.143,39 4.504,40 1.372,41 2.666,42 4.949,43 2.3,44 2.977,45 3.454,46 0.138,47 1.397,48 3.091,49 0.899,56 0.043,57 0.375,58 7.027,59 2.513,60 7.375,61 3.773,62 0.115,63 0.579,64 11.682,65 3.799,66 10.509,67 5.908,68 0.089,69 0.722,70 14.523,71 5.69,72 17.197,73 8.245,74 0.197,75 0.774,76 17.939,77 6.454,78 20.236,79 9.746,80 0.097,81 0.621,82 14.795,83 5.486,84 22.411,85 8.081,86 0.25,87 0.4,88 13.506,89 3.829,90 41.503,91 5.812,92 0.038,93 0.106,94 3.536,95 1.136,96 5.632,97 1.851,104 27,105 18,106 0.27,107 0.557,108 0.662,109 0.696,110 0.696,111 0.696,112 2.6,113 1.053,114 0.25,115 0.09,116 -0.13,121 35.7,122 1,126 3,144 3,145 1,146 2,176 3,185 2,187 4,189 2,197 1,200 3,203 2,211 1,213 1,216 1,224 1,281 114,282 7.11,283 7.11,284 7.11,285 7.11,286 7.11,287 6.32,288 9.564,289 4,290 7.274,291 5.895,292 5.895,293 5.895,294 5.895,295 5.895,296 4.743,297 12.878,298 1.89,299 6.198,300 3.472,301 2.046,302 1.528,303 1.359,304 1.359,305 1.359,306 3.178,311 1,312 1,313 98,314 2.739,318 38.571,325 0.667,326 7.2,329 1,330 0.83,331 0.83,332 0.9,333 1,334 1,335 1,336 0.94,337 25.5,338 52,339 4.543,340 3.698,341 7.239,342 4.304,343 3.375,344 4.04,345 1.2,346 12.176,347 3.143,348 3.76,349 2.702,350 5.479,351 3.422,352 2.464,353 3.038,355 7.033,356 2.35,357 3.325,358 2.308,359 4.897,360 2.964,361 2,362 2.559,364 5.521,365 1.92,366 2.583,367 1.229,368 4.03,369 2.14,370 1.154,371 1.616,373 3.134,374 1.137,375 1.35,376 0.498,377 2.885,378 1.057,379 0.1,380 0.119,382 0.218,383 0.095,384 0.642,385 -0.393,386 2.367,387 0.213,388 -0.746,389 -0.913,391 -2.08,392 -0.701,393 0.187,394 -0.6,395 2,396 -0.055,397 -1,398 -1,400 -2.651,401 -0.9,403 -0.6,404 2,405 -0.1,406 -1,407 -1,409 -3,410 -0.9,412 -0.776,413 2,414 -0.1,415 -1,416 -1.252,418 -3,419 -0.949,420 -0.245,421 -1.349,422 1.324,423 -0.581,424 -1.547,425 -2.001,426 -0.4,427 -3.9,428 -1.507,429 -0.5,430 -1.576,431 1.101,432 -0.865,433 -1.8,434 -2.206,435 -0.4,436 -6.043,437 -1.687,438 -0.644,439 -2,440 0.677,441 -1,442 -2,443 -3,444 -0.4,445 -7.406,446 -2,474 5.733,475 0.478,476 0.59,477 0.049,478 13.75,479 1.146,480 6.5,481 0.542,482 7.25,483 0.604,484 8.423,485 0.702,486 14.367,487 0.513,488 8.674,489 0.723,490 2.909,491 0.242,492 2.5,493 0.208,494 0.407,495 0.07,496 0.262,501 1.096,502 1.673,503 1.081,504 1.337,505 1.112,506 1.225,507 1.115,508 0.697,509 0.826,510 0.606,511 0.433,512 0.639,513 0.942,514 1.586,515 1.354,516 1.569,517 0.995,518 1.52,519 0.543,520 0.873,521 0.866,522 0.915,523 0.57,524 0.922,525 0.728,526 1.349,527 1.187,528 1.46,529 0.752,530 1.387,531 2.155,532 0.491,533 1.058,534 0.548,535 2.556,536 0.689,549 4.5,551 2,552 1.313,553 0.791,554 0.188,559 618,560 1289,561 1.757,562 57.1,563 3,564 12,567 1,572 1.465,573 1.548,574 2.238,575 -0.244,579 1,582 37.387,583 1.335,584 2.761,585 3.279,586 3.449,587 3.449,588 3.449,589 1.459,590 2.355,591 3.562,592 2.259,593 149.095,594 5.891,595 1078.03,597 1,600 134.606,601 1.825,602 3.407,603 0.375,605 0.111,606 0.082,607 0.061,608 0.027,613 0.656,614 1,615 1,616 1.124,617 40.817,618 -0.035,619 -0.351,620 0.018,621 -0.129,622 -0.185,623 -0.069,624 -0.102,625 0.504,626 0.229,627 0.408,628 0.181,629 0.376,630 -0.103,631 -0.395,632 -0.341,633 -0.4,634 -0.131,635 -0.401,636 0.116,637 0.058,638 0.048,639 0.026,640 0.028,641 0.03,642 0.021,643 -0.402,644 -0.263,645 -0.468,646 0.084,647 -0.403,648 -0.293,649 0.131,650 -0.094,651 0.174,652 -0.372,653 0.068,654 0.279,655 0.478,656 0.736,657 0.634,658 0.288,659 0.724,666 1.33,667 3.291,668 0.5,669 4.833,670 0.984,671 1.136,672 -1.484,673 2.201,674 0.613,675 2.565,676 2.944,677 2.996,678 3.135,679 3.178,680 2.639,681 2.398,682 1.386,685 3.043,686 0.56,687 166.27,688 2.565,689 4.111,690 4.905,691 5.802,692 6.627,693 7.516,694 8.352,695 9.235,696 10.077,697 10.957,698 3.6,712 1,715 3,720 3,722 6,738 1,741 28,743 6,744 1,745 12,747 28,748 10,749 6,750 3,751 3,756 1,757 1,763 1,772 6,773 4,793 16,794 1,795 1,796 2,802 1,803 1,807 1,808 1,809 1,829 1,859 1,864 4,868 12,875 1,883 1,893 3.6,895 1,901 7.75,902 6.2,903 2.528,904 1.619,907 1.227,908 1.251,909 0.843,910 2.22,911 6.117,912 2.773,913 3.384,914 3.812,915 4.275,916 4.707,917 4.407,918 4.239,919 3.169,922 0.667,923 16,924 4.41,925 0.006,926 1.718,927 0.026,929 7.708,931 8.498,932 0.002,933 6.519,934 0.004,936 2.208,937 26.5,938 0.014,941 176.567,942 68.385,945 42.683,948 68.385,949 219.25,951 34.014,953 28.429,954 42.683,955 5.942,957 176.567,959 176.567,960 68.385,961 42.683,964 176.567,965 42.683,968 8.825,969 59.56,972 176.567,973 42.683,974 68.385,977 176.567,978 5.942,979 62.443,981 42.683,982 176.567,983 42.683,984 68.385,986 0.613,987 0.318,988 0.152,989 0.082,990 9,991 5,992 0.036,993 1,995 1,996 2.183,997 66.566,999 6,1000 38.265,1005 9.233,1006 2.885,1007 2.068,1009 42.683,1010 5.47,1015 2.693,1017 42.683,1018 287.635,1019 15,1031 27.556,1032 31.822,1034 0.278,1035 0.574,1036 0.682,1037 0.717,1038 0.717,1039 0.717,1040 4.034,1041 -1,1042 5.03,1043 -2.651,1044 3.611,1045 4.06,1046 1.072,1047 5.927,1048 3.512,1049 5.319,1050 -1,1051 6.676,1052 -3,1053 3.761,1054 4.182,1055 0.931,1056 7.368,1057 3.547,1058 6.681,1059 -1.547,1060 8.443,1061 -3,1062 5.398,1063 6.27,1064 1.148,1065 10.317,1066 5.171,1067 8.075,1068 -1.8,1069 10.278,1070 -3.9,1071 6.217,1072 7.025,1073 1.241,1074 12.462,1075 5.863,1076 9.494,1077 -2,1078 12.155,1079 -6.043,1080 7.542,1081 8.756,1082 1.386,1083 15.104,1084 7.16,1085 10.93,1087 14.06,1088 -7.406,1089 8.605,1090 9.806,1091 1.521,1092 17.483,1093 8.114,1094 12.381,1096 15.986,1098 9.845,1099 11.38,1100 1.668,1101 20.032,1102 9.306,1103 3.375,1105 17.926,1107 11.002,1108 12.585,1109 1.818,1110 22.49,1111 10.368,1112 2.464,1113 12.176,1114 19.877,1116 12.219,1117 14.079,1118 1.973,1119 25.007,1120 11.526,1121 2,1122 7.033,1123 21.835,1124 4.04,1125 13.411,1126 15.37,1127 2.132,1128 27.492,1129 12.634,1130 1.154,1131 5.521,1132 23.799,1133 3.038,1134 14.625,1135 16.819,1136 2.294,1137 29.998,1138 13.781,1139 0.1,1140 3.134,1141 25.767,1142 2.559,1143 15.831,1144 18.158,1145 2.46,1146 32.492,1147 14.91,1148 -0.746,1149 0.218,1150 27.738,1151 1.616,1152 17.044,1153 19.583,1154 2.628,1155 34.994,1156 16.054,1157 -1,1158 -2.08,1159 29.711,1160 0.119,1161 18.256,1162 20.948,1163 2.798,1164 37.491,1165 17.191,1166 745,1167 1121,1168 6.762,1169 17.171,1170 18.622,1171 18.252,1172 19.29,1173 18.277,1174 18.188,1175 22.744,1176 2.4,1177 56.163,1178 17.289,1179 5.187,1180 5.698,1181 6.562,1182 5.304,1183 5.375,1184 7.04,1185 1.6,1186 19.582,1187 5.143,1188 7.72,1189 1.552,1190 1.521,1191 1.608,1192 1.523,1193 1.516,1194 1.895,1195 0.2,1196 4.68,1197 1.441,1198 3.996,1199 4.041,1200 3.932,1201 3.892,1202 6.471,1203 3.896,1204 3.605,1205 3.68,1206 3.463,1207 3.387,1208 4.661,1209 3.394,1210 3.199,1211 3.268,1212 3.028,1213 3.024,1214 4.253,1215 3.013,1216 2.874,1217 3.009,1218 2.593,1219 2.642,1220 3.751,1221 2.621,1222 2.874,1223 3.009,1224 2.499,1225 2.618,1226 3.521,1227 2.57,1228 2.773,1229 2.846,1230 2.499,1231 2.618,1232 3.467,1233 2.57,1234 2.561,1235 2.623,1236 2.315,1237 2.257,1238 3.467,1239 2.253,1240 2.044,1241 2.149,1242 1.737,1243 1.532,1244 2.862,1245 1.578,1246 0.379,1247 0.308,1248 0.603,1249 0.359,1250 0.281,1251 4.543,1252 0.337,1253 3.698,1254 0.1,1255 7.239,1256 1.015,1257 4.304,1258 0.262,1259 3.375,1260 4.04,1261 1.2,1262 12.176,1263 3.143,1264 1.95,1265 1.917,1266 2.076,1267 2.096,1268 1.26,1269 2.094,1270 1.573,1271 1.489,1272 1.833,1273 1.8,1274 0.943,1275 1.815,1276 1.2,1277 1.131,1278 1.525,1279 1.434,1280 0.575,1281 1.466,1282 0.934,1283 0.804,1284 1.417,1285 1.239,1286 0.469,1287 1.308,1288 0.934,1289 0.804,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.799,1295 0.732,1296 1.096,1297 1.002,1298 0.16,1299 1.035,1300 0.479,1301 0.411,1302 0.8,1303 0.852,1305 0.838,1308 0.515,1309 0.416,1311 0.46,1312 3.219,1314 4.575,1316 6.111,1318 7.732,1320 9.397,1322 8.309,1327 9.291,1335 0.736,1340 15.687,1341 37.387,1342 77.322,1343 91.812,1344 96.567,1345 96.567,1346 96.567,1347 16.87,1348 4.89,1349 20.23,1350 20.23,1351 6,1352 11.501,1353 2.807,1354 2,1355 21.682,1356 21,1357 18,1358 0.562,1359 102.773,1360 171.49,1361 242.525,1362 480,1364 9.353,1365 0.779,1366 0.682,1367 9.353,1368 8.179,1369 5.41,1370 0.451,1371 0.351,1372 4.138,1373 5.2,1374 3.844,1375 3.344,1376 5.41,1377 4.212,1378 5.868,1379 0.326,1380 0.236,1381 5.868,1382 4.249,1383 3.57,1384 0.188,1385 0.107,1386 3.57,1387 2.029,1388 2.739,1389 0.125,1390 0.064,1391 2.739,1392 1.418,1393 2.078,1394 0.09,1395 0.032,1396 2.078,1397 0.733,1398 0.785,1399 33.93,1400 0.385,1401 11.68,1402 1.848,1403 60,1404 130.483,1405 64.213,1406 131.302,1407 175.97,1408 120,1409 67,1410 130.002,1411 72.158,1412 137.142,1413 191.53,1414 125,1415 5.549}
{0 CHEMBL138072,1 1.377,2 6.438,3 1.463,4 2.139,5 63.365,6 6.176,7 0.375,8 3.623,9 3.76,10 3.013,11 3.067,12 4.642,13 3.018,14 4.182,15 4.414,16 3.36,17 3.428,18 5.151,19 3.368,20 4.387,21 4.579,22 3.393,23 3.63,24 5.411,25 3.525,26 4.58,27 4.85,28 3.233,29 3.616,30 5.471,31 3.456,32 4.368,33 4.632,34 3.168,35 3.455,36 5.28,37 3.31,38 4.245,39 4.47,40 2.952,41 3.303,42 5.226,43 3.175,44 4.156,45 4.412,46 2.651,47 3.243,48 5.085,49 3.024,50 4.288,51 4.65,52 1.973,53 2.968,54 5.043,55 2.649,56 0.027,57 0.474,58 8.762,59 3.338,60 6.053,61 4.828,62 0.251,63 0.722,64 15.496,65 4.994,66 20.469,67 7.535,68 0.159,69 0.865,70 18.921,71 6.91,72 26.3,73 9.803,74 0.332,75 0.901,76 22.584,77 7.629,78 40.027,79 11.11,80 0.132,81 0.762,82 17.993,83 6.41,84 25.159,85 9.372,86 0.339,87 0.651,88 16.7,89 5.086,90 32.428,91 7.367,92 0.091,93 0.631,94 14.386,95 5.309,96 22.185,97 7.859,98 0.277,99 0.539,100 16.272,101 4.76,102 43.741,103 7.445,104 43,105 23,106 0.259,107 0.534,108 0.713,109 0.738,110 0.738,111 0.738,112 2.852,113 1.061,114 -0.48,115 -0.6,116 -0.75,121 36.1,122 2,123 1,126 3,144 3,145 1,146 2,160 1,176 4,179 1,180 4,187 4,189 2,192 4,200 3,203 1,206 3,208 1,214 2,216 1,219 2,227 4,229 1,232 1,234 1,239 3,241 1,251 1,253 1,281 262,282 9.842,283 9.842,284 9.842,285 9.842,286 9.842,287 8.949,288 14.065,289 5.602,290 10.061,291 7.796,292 7.796,293 7.796,294 7.796,295 7.796,296 6.368,297 18.316,298 2.578,299 8.168,300 3.793,301 2.326,302 1.376,303 1.244,304 1.244,305 1.244,306 3.462,311 1,312 1,313 196,314 3.536,318 56.23,325 1.063,326 12.682,328 1,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 34.5,338 103,339 4.483,340 3.721,341 7.119,342 4.251,343 3.328,344 3.996,345 2.443,346 11.704,347 3.077,348 4.066,349 3.646,350 6.052,351 3.738,352 2.787,353 3.351,354 1.2,355 8.707,356 2.642,357 3.569,358 2.943,359 4.965,360 3.222,361 2.224,362 2.759,363 0.286,364 5.782,365 2.193,366 2.913,367 1.799,368 4.592,369 2.549,370 1.575,371 2.027,373 4.626,374 1.53,375 2.816,376 1.728,377 4.125,378 2.391,379 1.414,380 1.929,382 3.646,383 1.373,384 1.548,385 1.02,386 2.951,387 1.4,388 0.427,389 0.463,391 0.733,392 0.41,393 1.406,394 0.68,395 2.84,396 1.069,397 0.07,398 0.085,400 0.126,401 0.069,402 0.889,403 0.157,404 2.274,405 0.49,406 -0.493,407 -0.631,409 -1.272,410 -0.479,411 0.479,412 -0.534,413 2,415 -1,416 -1,418 -2.722,419 -0.9,421 -0.6,422 2,423 -0.1,424 -1,425 -1,427 -3,428 -0.9,430 -0.6,431 2,432 -0.1,433 -1,434 -1.399,436 -3,437 -0.986,438 -0.028,439 -0.955,440 1.617,441 -0.265,442 -1.247,443 -1.46,444 -0.4,445 -3.227,446 -1.213,447 -0.222,448 -0.978,449 1.253,450 -0.387,451 -1.414,452 -1.738,453 -0.4,454 -3.442,455 -1.465,456 -0.5,457 -1.326,458 1.057,459 -0.833,460 -1.763,461 -2.085,462 -0.4,463 -5.471,464 -1.61,465 -0.617,466 -1.62,467 0.707,468 -1,469 -1.908,470 -2.299,471 -0.998,472 -6.194,473 -1.741,474 7.567,475 0.473,476 0.658,477 0.041,478 17.75,479 1.109,480 8,481 0.5,482 9.75,483 0.609,484 12.882,485 0.805,486 19.133,487 0.531,488 12.373,489 0.773,490 3.606,491 0.225,492 3.735,493 0.233,494 0.374,495 0.053,496 0.264,501 0.785,502 1.714,503 0.981,504 1.442,505 0.652,506 1.263,507 0.865,508 0.794,509 0.784,510 0.724,511 0.428,512 0.71,513 1.222,514 1.349,515 1.218,516 1.347,517 1.009,518 1.292,519 1.196,520 0.883,521 1.026,522 0.914,523 1.076,524 0.95,525 0.8,526 1.149,527 0.873,528 1.129,529 0.809,530 1.031,531 1.998,532 0.913,533 1.426,534 0.94,535 1.727,536 1.089,537 0.652,538 1.485,539 1.273,540 1.545,541 0.967,542 1.502,543 1.185,544 0.519,545 0.915,546 0.57,547 1.907,548 0.689,549 5.5,551 2.444,552 1.188,553 1.053,554 0.694,555 0.345,556 0.122,559 1526,560 3376,561 1.782,562 55.6,563 6,564 12,568 2,572 1.555,573 1.587,574 2.734,575 -0.795,577 1,578 1,579 1,582 49.573,583 1.377,584 2.843,585 3.794,586 3.926,587 3.926,588 3.926,589 2.203,590 3.375,591 3.971,592 2.844,593 341.271,594 6.708,595 2971.68,597 1,599 1,600 186.117,601 1.805,602 3.843,603 0.344,605 0.106,606 0.054,607 0.059,608 0.041,609 0.027,610 0.015,613 0.645,614 0.83,615 1,616 1.656,617 63.903,618 0.026,619 -0.387,620 0.047,621 -0.209,622 -0.074,623 -0.1,624 0.162,625 0.364,626 0.248,627 0.287,628 0.224,629 0.294,630 -0.116,631 -0.219,632 -0.197,633 -0.237,634 -0.073,635 -0.229,636 -0.056,637 0.052,638 -0.038,639 0.047,640 -0.098,641 0.008,642 0.049,643 -0.177,644 0.081,645 -0.121,646 0.08,647 -0.029,648 -0.284,649 0.086,650 -0.341,651 0.013,652 -0.234,653 -0.154,654 -0.028,655 -0.46,656 -0.351,657 -0.51,658 -0.005,659 -0.48,660 -0.133,661 0.212,662 0.018,663 0.205,664 -0.187,665 0.142,666 1.86,667 4.267,668 0.375,669 9.922,670 0.99,671 1.135,672 -0.753,673 0.568,674 0.615,675 2.833,676 3.178,677 3.258,678 3.332,679 3.555,680 3.526,681 3.296,682 2.773,683 2.485,684 1.609,685 4.154,686 0.568,687 222.34,688 2.833,689 4.369,690 5.165,691 6.038,692 6.868,693 7.741,694 8.583,695 9.456,696 10.304,697 11.175,698 2.8,712 1,715 3,720 3,722 6,741 36,743 7,744 1,745 16,747 36,748 13,749 6,750 3,751 3,756 1,757 1,763 2,770 1,772 7,773 6,777 1,782 1,786 1,790 1,793 20,794 2,796 3,802 1,803 1,807 1,808 1,809 2,829 1,846 1,859 1,864 5,868 16,876 1,878 1,883 1,893 5.6,896 1,898 1,901 10.083,902 8.083,903 3.528,904 2.319,907 1.313,908 1.241,909 0.867,910 3.841,911 6.756,912 3.045,913 3.597,914 3.994,915 4.423,916 4.947,917 5.025,918 5.005,919 4.619,920 4.495,921 3.169,922 1,923 22,924 5.903,926 2.296,927 0.026,929 7.76,931 11.301,933 8.534,936 2.26,937 36.167,938 0.003,941 235.422,942 92.18,945 36.145,948 92.18,949 271.567,951 42.84,952 2.535,953 28.429,954 32.336,955 22.186,957 235.422,959 235.422,960 92.18,961 36.145,964 235.422,965 36.145,968 20.185,969 71.995,972 235.422,973 36.145,974 92.18,977 235.422,978 20.912,979 71.268,981 36.145,982 235.422,983 36.145,984 92.18,986 0.597,987 0.317,988 0.132,989 0.083,990 10,991 6,992 0.111,993 4,995 1,996 2.617,997 99.215,999 6,1000 59.245,1005 12.886,1006 4.769,1007 3.423,1009 36.145,1010 5.971,1015 2.765,1018 363.747,1019 20,1024 11.267,1028 -0.193,1031 35.651,1032 40.862,1034 0.266,1035 0.55,1036 0.734,1037 0.759,1038 0.759,1039 0.759,1040 4.297,1041 -0.493,1042 5.252,1043 0.126,1044 3.85,1045 4.277,1046 2.562,1047 6.107,1048 3.755,1049 5.55,1050 -1,1051 6.872,1052 -1.272,1053 3.892,1054 4.35,1055 2.394,1056 7.445,1057 3.7,1058 6.894,1059 -1,1060 8.609,1061 -2.722,1062 5.587,1063 6.427,1064 3.886,1065 10.358,1066 5.359,1067 8.27,1068 -1,1069 10.411,1070 -3,1071 6.33,1072 7.16,1073 4.303,1074 12.416,1075 5.99,1076 9.67,1077 -1.247,1078 12.255,1079 -3,1080 7.663,1081 8.861,1082 5.499,1083 14.997,1084 7.276,1085 11.088,1086 -1.414,1087 14.127,1088 -3.227,1089 8.672,1090 9.888,1091 6.166,1092 17.306,1093 8.177,1094 12.519,1095 -1.763,1096 16.019,1097 -3.442,1098 9.898,1099 11.435,1100 7.211,1101 19.795,1102 9.341,1103 3.328,1104 -1.908,1105 17.926,1106 -5.471,1107 11.011,1108 12.614,1109 7.994,1110 22.195,1111 10.357,1112 2.787,1113 11.704,1114 19.844,1115 -6.194,1116 12.206,1117 14.084,1118 8.964,1119 24.658,1120 11.48,1121 2.224,1122 8.707,1123 21.77,1124 3.996,1125 13.363,1126 15.347,1127 9.802,1128 27.093,1129 12.546,1130 1.575,1131 5.782,1132 23.703,1133 3.351,1134 14.551,1135 16.777,1136 10.734,1137 29.55,1138 13.657,1139 1.414,1140 4.626,1141 25.642,1142 2.759,1143 15.728,1144 18.089,1145 11.6,1146 31.999,1147 14.747,1148 0.427,1149 3.646,1150 27.585,1151 2.027,1152 16.917,1153 19.497,1154 12.512,1155 34.456,1156 15.858,1157 0.07,1158 0.733,1159 29.531,1160 1.929,1161 18.104,1162 20.838,1163 13.391,1164 36.91,1165 16.96,1166 1741,1167 2679,1168 9.246,1169 22.148,1170 24.102,1171 24.877,1172 25.106,1173 23.764,1174 23.649,1175 29.221,1176 7.858,1177 70.648,1178 22.588,1179 5.285,1180 5.721,1181 6.67,1182 5.274,1183 5.328,1184 6.996,1185 4.174,1186 18.7,1187 5.077,1188 11.069,1189 1.506,1190 1.555,1191 1.569,1192 1.485,1193 1.478,1194 1.826,1195 0.491,1196 4.416,1197 1.412,1198 4,1199 4.041,1200 3.939,1201 3.893,1202 7.432,1203 3.899,1204 3.666,1205 3.726,1206 3.554,1207 3.442,1208 4.814,1209 3.456,1210 3.569,1211 3.626,1212 3.43,1213 3.391,1214 4.362,1215 3.389,1216 3.085,1217 3.18,1218 2.854,1219 2.918,1220 4.149,1221 2.89,1222 3.019,1223 3.055,1224 2.851,1225 2.776,1226 3.916,1227 2.788,1228 2.874,1229 3.009,1230 2.6,1231 2.618,1232 3.767,1233 2.57,1234 2.874,1235 3.009,1236 2.499,1237 2.618,1238 3.467,1239 2.57,1240 2.757,1241 2.817,1242 2.499,1243 2.54,1244 3.467,1245 2.55,1246 0.28,1247 0.233,1248 0.445,1249 0.266,1250 0.208,1251 4.483,1252 0.25,1253 3.721,1254 0.153,1255 7.119,1256 0.731,1257 4.251,1258 0.192,1259 3.328,1260 3.996,1261 2.443,1262 11.704,1263 3.077,1264 1.949,1265 1.918,1266 2.073,1267 2.095,1268 1.249,1269 2.092,1270 1.614,1271 1.546,1272 1.866,1273 1.851,1274 1.013,1275 1.855,1276 1.551,1277 1.485,1278 1.831,1279 1.755,1280 0.975,1281 1.782,1282 1.122,1283 1.033,1284 1.484,1285 1.35,1286 0.552,1287 1.401,1288 0.934,1289 0.891,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.934,1295 0.804,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.929,1301 0.804,1302 1.179,1303 1.238,1304 0.205,1305 1.212,1306 0.735,1307 0.674,1308 1.07,1309 0.972,1310 0.153,1311 1.006,1312 3.497,1314 4.828,1316 6.34,1318 7.931,1320 9.563,1322 9.974,1328 0.397,1330 5.281,1335 0.705,1340 20.456,1341 49.573,1342 102.366,1343 136.568,1344 141.323,1345 141.323,1346 141.323,1347 30.998,1348 5.442,1349 26.3,1350 26.3,1351 6,1352 11.722,1353 3,1354 2.322,1355 34.345,1356 39,1357 40,1358 0.46,1359 132.618,1360 229.54,1361 315.349,1362 1054,1364 12.345,1365 0.772,1366 0.672,1367 12.345,1368 10.756,1369 7.342,1370 0.459,1371 0.354,1372 5.561,1373 7.009,1374 5.211,1375 4.503,1376 7.342,1377 5.661,1378 7.362,1379 0.32,1380 0.22,1381 7.362,1382 5.058,1383 4.989,1384 0.2,1385 0.103,1386 4.989,1387 2.567,1388 3.214,1389 0.119,1390 0.051,1391 3.214,1392 1.371,1393 2.685,1394 0.079,1395 0.028,1396 2.685,1397 0.961,1398 0.684,1399 46.338,1400 0.329,1401 15.922,1402 1.363,1403 78,1404 213.804,1405 86.641,1406 203.353,1407 271.93,1408 188,1409 87,1410 199.881,1411 95.978,1412 202.349,1413 288.31,1414 187,1415 5.424}
{0 CHEMBL138107,1 1.449,2 15.914,3 4.308,4 18.561,5 136.029,6 7.306,7 0.462,8 4.245,9 4.361,10 3.802,11 3.834,12 5.313,13 3.802,14 4.804,15 4.971,16 4.163,17 4.251,18 5.842,19 4.191,20 5.116,21 5.329,22 4.231,23 4.397,24 6.123,25 4.306,26 5.211,27 5.457,28 4.131,29 4.329,30 6.288,31 4.218,32 5.105,33 5.356,34 4.049,35 4.244,36 6.115,37 4.142,38 5.005,39 5.226,40 4.036,41 4.263,42 6.009,43 4.158,44 5.039,45 5.261,46 4.02,47 4.243,48 6.145,49 4.131,50 4.932,51 5.164,52 3.904,53 4.113,54 6.047,55 4.001,56 0.023,57 0.894,58 12.935,59 5.977,60 7.114,61 7.851,62 0.274,63 1.523,64 24.748,65 10.099,66 22.495,67 13.758,68 0.204,69 1.949,70 36.265,71 14.336,72 40.516,73 19.618,74 0.502,75 2.041,76 42.829,77 15.242,78 104.853,79 21.023,80 0.532,81 1.839,82 38.981,83 13.562,84 84.819,85 18.576,86 0.369,87 1.7,88 33.344,89 12.942,90 55.193,91 17.478,92 0.462,93 1.69,94 35.141,95 13.616,96 92.962,97 18.256,98 0.507,99 1.537,100 31.972,101 11.834,102 89.863,103 16.14,104 10,105 54,106 0.229,107 0.508,108 0.655,109 0.782,110 0.835,111 0.845,112 3.588,113 0.939,114 -5.31,115 -5.19,116 -4.86,121 45.3,123 3,124 1,127 4,144 13,145 4,146 1,160 3,176 19,179 2,180 9,183 1,185 3,187 19,192 12,197 4,200 8,205 1,206 15,211 3,214 6,219 7,222 2,224 1,227 15,231 1,232 5,235 1,239 23,243 2,244 2,249 1,251 19,255 3,256 8,261 1,264 9,269 11,274 2,277 3,281 2519,282 23.999,283 23.999,284 23.999,285 23.999,286 23.999,287 21.547,288 25.921,289 14.281,290 24.202,291 19.256,292 19.256,293 19.256,294 19.256,295 19.256,296 15.487,297 31.577,298 6.835,299 19.534,300 4.551,301 2.79,302 1.858,303 1.059,304 0.719,305 0.656,306 4.297,312 1,313 1228,314 3.464,317 86.59,318 490.7,321 160.464,325 2.712,326 37.343,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 74.5,338 557,339 4.604,340 3.954,341 6.971,342 4.304,343 3.314,344 4.192,345 1.349,346 11.723,347 3.275,348 4.164,349 3.57,350 6.052,351 3.823,352 2.823,353 3.682,354 1.058,355 8.702,356 2.818,357 3.941,358 3.256,359 5.741,360 3.69,361 2.726,362 3.457,363 0.916,364 7.799,365 2.634,366 3.794,367 3.018,368 5.614,369 3.485,370 2.493,371 3.186,372 0.8,373 7.61,374 2.475,375 3.603,376 2.649,377 5.509,378 3.395,379 2.414,380 2.67,381 0.172,382 6.941,383 2.359,384 3.446,385 2.561,386 5.326,387 3.085,388 2.106,389 2.635,391 6.604,392 2.096,393 3.312,394 2.264,395 5.196,396 3.038,397 2.032,398 2.535,400 6.143,401 1.99,402 3.184,403 2.188,404 4.951,405 2.91,406 1.936,407 2.323,409 5.845,410 1.876,411 3.094,412 2.065,413 4.19,414 2.69,415 1.683,416 2.205,418 3.91,419 1.687,420 2.822,421 1.798,422 3.709,423 2.417,424 1.421,425 1.92,427 3.045,428 1.414,429 2.564,430 1.514,431 3.603,432 2.076,433 1.069,434 1.53,436 2.546,437 1.071,438 2.506,439 1.323,440 3.524,441 2,442 1,443 1.5,445 2.368,446 1,447 2.5,448 1.272,449 3.441,450 2,451 1,452 1.5,454 2.275,455 1,456 2.5,457 1.077,458 3.414,459 1.984,460 1,461 1.424,463 2.136,464 0.983,465 2.141,466 1,467 3.247,468 1.977,469 0.95,470 1,472 2.136,473 0.969,474 16.7,475 0.477,476 0.763,477 0.022,478 45.25,479 1.293,480 23,481 0.657,482 22.25,483 0.636,484 30.343,485 0.867,486 36.7,487 0.573,488 35.773,489 1.022,490 8.826,491 0.252,492 8.255,493 0.236,494 0.06,496 0.317,501 0.625,502 1.247,503 0.783,504 1.036,505 0.495,506 0.943,507 0.63,508 1.106,509 0.929,510 1.021,511 0.509,512 1.007,513 0.845,514 1.17,515 0.963,516 1.13,517 0.735,518 1.067,519 1.119,520 1.059,521 0.998,522 1.006,523 1.034,524 0.986,525 1.267,526 0.813,527 0.971,528 0.805,529 1.257,530 0.838,531 1.008,532 0.918,533 1.042,534 1.001,535 1.049,536 1.021,537 1.062,538 1.014,539 1.03,540 1.052,541 1.236,542 1.048,543 1.02,544 0.979,545 1.017,546 0.981,547 1.124,548 1.001,549 6,550 0.177,551 3.556,552 2.799,553 1.578,554 1.018,555 0.748,556 0.597,557 0.389,558 0.255,559 21744,560 51812,561 2.141,562 45.3,563 1,564 21,567 1,569 6,572 1.762,573 2.039,574 3.912,575 -0.43,582 92.727,583 1.449,584 3.21,585 4.142,586 4.941,587 5.281,588 5.344,589 3.383,590 4.729,591 5.094,592 4.112,593 2446.54,594 8.919,595 40419.7,600 384,601 1.271,602 5.076,603 0.154,604 0.006,605 0.066,606 0.051,607 0.034,608 0.023,609 0.017,610 0.014,611 0.01,612 0.007,613 0.381,614 0.17,615 0.75,616 0.45,617 193.654,618 -0.011,619 -0.112,620 0.054,621 -0.013,622 -0.007,623 0.02,624 0.119,625 0.009,626 -0.031,627 -0.036,628 0.053,629 -0.052,630 -0.004,631 -0.156,632 -0.01,633 -0.142,634 0.048,635 -0.084,636 0.016,637 -0.088,638 0.026,639 -0.044,640 0.098,641 -0.012,642 -0.065,643 0.167,644 0.064,645 0.151,646 -0.068,647 0.129,648 -0.028,649 0.076,650 -0.068,651 -0.014,652 -0.071,653 -0.039,654 0.062,655 -0.07,656 -0.033,657 -0.055,658 0.009,659 -0.059,660 0.116,661 -0.013,662 -0.008,663 -0.003,664 0.059,665 -0.022,666 1.942,667 6.027,668 0.771,669 50.709,670 0.996,671 1.118,672 4.079,673 16.635,674 0.676,675 3.689,676 4.007,677 4.29,678 4.543,679 4.762,680 4.779,681 4.942,682 5.1,683 5.198,684 5.278,685 9.026,686 0.642,687 467.61,688 3.689,689 5.231,690 6.084,691 6.957,692 7.826,693 8.706,694 9.583,695 10.469,696 11.352,697 12.242,698 4.7,701 1,705 2,715 13,720 5,722 18,729 1,741 64,743 21,744 3,745 39,747 68,748 29,749 18,750 5,751 13,752 3,756 5,757 6,767 2,768 1,770 3,772 21,773 8,774 1,777 3,782 3,786 3,793 29,794 6,795 1,796 6,802 3,805 1,808 0.8,809 3,828 1,829 4,832 1,855 1,859 4,868 35,876 7,877 1,880 1,881 2,893 4.7,896 3,901 17.167,902 11.317,903 7.667,904 4.042,907 2.931,908 1.349,909 1.003,910 6.965,911 11.327,912 3.951,913 4.483,914 5.016,915 5.52,916 5.997,917 6.056,918 6.392,919 6.642,920 6.887,921 7.056,922 0.909,923 55,924 13.078,926 5.722,927 0.026,929 7.748,931 25.151,933 21.299,936 2.248,937 78.667,941 329.591,942 168.831,943 24.259,945 75.435,948 168.831,949 405.026,950 24.259,952 37.161,953 123.191,954 89.549,955 18.623,957 329.591,959 329.591,960 193.09,961 75.435,964 258.964,965 146.061,968 40.286,969 152.804,972 329.591,973 99.694,974 168.831,977 329.591,978 45.639,979 129.44,980 18.011,981 75.435,982 329.591,983 99.694,984 168.831,986 0.58,987 0.342,988 0.184,989 0.099,990 26,991 11,992 0.103,993 7,994 1,995 1.074,996 4.768,997 324.796,998 0.074,999 27,1000 167.525,1005 23.32,1006 10.453,1007 5.308,1009 99.694,1010 24.323,1015 3.137,1017 18.011,1018 598.116,1019 51,1024 38.378,1028 -0.771,1031 63.774,1032 71.521,1034 0.241,1035 0.535,1036 0.69,1037 0.824,1038 0.88,1039 0.891,1040 5.19,1041 1.936,1042 6.057,1043 6.143,1044 4.691,1045 5.17,1046 2.256,1047 6.855,1048 4.666,1049 6.364,1050 1.683,1051 7.606,1052 5.845,1053 4.205,1054 4.808,1055 0.57,1056 7.722,1057 4.168,1058 7.649,1059 1.421,1060 9.258,1061 3.91,1062 6.271,1063 7.242,1064 2.404,1065 10.846,1066 6.214,1067 8.966,1068 1.069,1069 10.97,1070 3.045,1071 6.635,1072 7.709,1073 1.104,1074 12.6,1075 6.57,1076 10.318,1077 1,1078 12.725,1079 2.546,1080 8.146,1081 9.614,1082 2.675,1083 15.253,1084 8.063,1085 11.696,1086 1,1087 14.509,1088 2.368,1089 8.921,1090 10.496,1091 1.71,1092 17.408,1093 8.832,1094 13.095,1095 1,1096 16.316,1097 2.275,1098 10.21,1099 12.164,1100 3.034,1101 19.917,1102 10.105,1103 3.314,1104 0.95,1105 18.142,1106 2.136,1107 11.192,1108 13.275,1109 2.357,1110 22.252,1111 11.08,1112 2.823,1113 11.723,1114 19.985,1115 2.136,1116 12.396,1117 14.82,1118 3.46,1119 24.72,1120 12.27,1121 2.726,1122 8.702,1123 21.841,1124 4.192,1125 13.48,1126 16.062,1127 3.014,1128 27.129,1129 13.345,1130 2.493,1131 7.799,1132 23.709,1133 3.682,1134 14.657,1135 17.545,1136 3.934,1137 29.588,1138 14.511,1139 2.414,1140 7.61,1141 25.588,1142 3.457,1143 15.792,1144 18.863,1145 3.667,1146 32.028,1147 15.635,1148 2.106,1149 6.941,1150 27.476,1151 3.186,1152 16.965,1153 20.314,1154 4.444,1155 34.486,1156 16.797,1157 2.032,1158 6.604,1159 29.372,1160 2.67,1161 18.125,1162 21.677,1163 4.311,1164 36.938,1165 17.947,1166 20081,1167 31235,1168 26.641,1169 43.279,1170 58.773,1171 61.273,1172 59.191,1173 58.086,1174 58.073,1175 73.973,1176 8.592,1177 164.787,1178 57.436,1179 5.604,1180 5.954,1181 6.772,1182 5.339,1183 5.314,1184 7.192,1185 2.549,1186 18.908,1187 5.275,1188 13.573,1189 1.507,1190 1.571,1191 1.518,1192 1.489,1193 1.489,1194 1.897,1195 0.22,1196 4.225,1197 1.473,1198 4.054,1199 4.082,1200 4.016,1201 3.956,1202 7.447,1203 3.966,1204 3.943,1205 3.985,1206 3.863,1207 3.863,1208 7.429,1209 3.858,1210 3.901,1211 3.927,1212 3.842,1213 3.833,1214 7.408,1215 3.83,1216 3.819,1217 3.865,1218 3.704,1219 3.718,1220 4.766,1221 3.707,1222 3.553,1223 3.61,1224 3.479,1225 3.353,1226 4.733,1227 3.375,1228 3.356,1229 3.411,1230 3.246,1231 3.163,1232 4.667,1233 3.176,1234 3.21,1235 3.254,1236 3.124,1237 3.022,1238 4.324,1239 3.039,1240 3.111,1241 3.206,1242 2.968,1243 2.941,1244 4.007,1245 2.91,1246 0.118,1247 0.101,1248 0.179,1249 0.11,1250 0.085,1251 4.604,1252 0.107,1253 3.954,1254 0.035,1255 6.971,1256 0.301,1257 4.304,1258 0.084,1259 3.314,1260 4.192,1261 1.349,1262 11.723,1263 3.275,1264 1.934,1265 1.904,1266 2.1,1267 2.068,1268 1.482,1269 2.082,1270 1.926,1271 1.896,1272 2.027,1273 2.023,1274 1.165,1275 2.023,1276 1.865,1277 1.844,1278 2.013,1279 1.956,1280 1.115,1281 1.977,1282 1.84,1283 1.79,1284 1.959,1285 1.937,1286 1.061,1287 1.947,1288 1.52,1289 1.462,1290 1.737,1291 1.768,1292 1.011,1293 1.753,1294 1.251,1295 1.208,1296 1.513,1297 1.488,1298 0.825,1299 1.474,1300 1.218,1301 1.182,1302 1.465,1303 1.466,1304 0.691,1305 1.429,1306 1.153,1307 1.064,1308 1.342,1309 1.376,1310 0.44,1311 1.429,1312 4.369,1314 5.687,1315 2.398,1316 7.2,1317 4.949,1318 8.795,1319 7.195,1320 10.433,1328 6.439,1329 2.818,1332 0.507,1333 3.836,1340 41.057,1341 92.727,1342 205.411,1343 265.1,1344 316.226,1345 338,1346 342,1347 73.361,1348 8.396,1349 71.41,1350 71.41,1351 29,1352 12.773,1353 4.459,1354 3.7,1355 52.576,1356 187,1357 197,1358 0.132,1359 249.224,1360 443.45,1361 599.867,1362 63041,1364 24.2,1365 0.691,1366 0.561,1367 24.2,1368 19.652,1369 17.081,1370 0.438,1371 0.313,1372 12.096,1373 16.627,1374 11.857,1375 9.792,1376 17.081,1377 12.212,1378 15.204,1379 0.282,1380 0.173,1381 15.204,1382 9.336,1383 13.191,1384 0.183,1385 0.097,1386 13.191,1387 6.982,1388 10.931,1389 0.118,1390 0.053,1391 10.931,1392 4.951,1393 8.827,1394 0.076,1395 0.031,1396 8.827,1397 3.595,1398 0.216,1399 105.773,1400 0.194,1401 33.067,1402 0.342,1403 186,1404 500.83,1405 199.526,1406 488.338,1407 664.33,1408 456,1409 219,1410 481.796,1411 233.471,1412 491.056,1413 720.92,1414 463,1415 8.921}
{0 CHEMBL138442,1 1.451,2 11.963,3 2.777,4 7.711,5 107.475,6 6.99,7 0.4,8 4.036,9 4.164,10 3.554,11 3.598,12 5.073,13 3.561,14 4.61,15 4.792,16 3.92,17 4.028,18 5.582,19 3.961,20 4.922,21 5.145,22 3.996,23 4.186,24 5.871,25 4.085,26 5.039,27 5.298,28 3.897,29 4.127,30 6.104,31 3.996,32 4.933,33 5.206,34 3.695,35 3.999,36 5.886,37 3.864,38 4.774,39 5.02,40 3.61,41 3.957,42 5.674,43 3.817,44 4.775,45 5.03,46 3.524,47 3.901,48 5.68,49 3.746,50 4.622,51 4.883,52 3.396,53 3.73,54 5.549,55 3.581,56 0.037,57 0.758,58 11.374,59 4.858,60 7.931,61 6.668,62 0.228,63 1.27,64 21.543,65 8.316,66 16.978,67 11.795,68 0.173,69 1.598,70 30.556,71 11.688,72 26.654,73 16.573,74 0.488,75 1.671,76 36.29,77 12.556,78 93.643,79 18.091,80 0.461,81 1.474,82 33.252,83 10.877,84 77.051,85 15.711,86 0.301,87 1.301,88 27.316,89 10.075,90 45.404,91 14.132,92 0.268,93 1.248,94 27.656,95 10.329,96 53.007,97 14.448,98 0.368,99 1.082,100 24.016,101 8.386,102 50.739,103 12,104 10,105 42,106 0.243,107 0.554,108 0.697,109 0.794,110 0.838,111 0.838,112 3.339,113 0.964,114 -4.78,115 -4.69,116 -4.41,121 42.3,123 3,124 1,127 4,144 8,145 3,146 1,160 2,165 1,166 1,167 1,176 13,179 2,180 8,185 2,187 13,189 2,192 8,197 2,200 5,203 2,205 1,206 12,208 2,209 2,211 1,214 4,216 1,219 5,221 1,222 1,227 8,231 1,232 4,237 1,239 14,241 1,249 1,251 10,253 1,255 2,256 3,261 2,264 7,266 2,269 3,277 1,281 1070,282 18.413,283 18.413,284 18.413,285 18.413,286 18.413,287 16.724,288 21.564,289 10.861,290 18.6,291 14.785,292 14.785,293 14.785,294 14.785,295 14.785,296 12.213,297 24.33,298 5.156,299 15.056,300 4.249,301 2.387,302 1.534,303 0.952,304 0.692,305 0.692,306 4.038,310 1,311 1,312 1,313 710,314 2.739,317 61.182,318 263.717,321 119.212,325 1.973,326 28.039,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 57.5,338 323,339 4.648,340 3.964,341 7.071,342 4.342,343 3.352,344 4.26,345 1.349,346 12.092,347 3.313,348 3.941,349 3.265,350 5.951,351 3.691,352 2.727,353 3.457,354 0.916,355 8.052,356 2.635,357 3.764,358 3.018,359 5.617,360 3.493,361 2.507,362 3.067,363 0.8,364 7.78,365 2.479,366 3.598,367 2.7,368 5.556,369 3.391,370 2.411,371 2.71,372 0.172,373 6.951,374 2.352,375 3.464,376 2.56,377 5.325,378 3.109,379 2.108,380 2.627,382 6.669,383 2.109,384 3.174,385 2.251,386 4.953,387 3.012,388 2.04,389 2.244,391 5.857,392 1.96,393 2.904,394 1.873,395 4.632,396 2.541,397 1.551,398 2.007,400 4.331,401 1.527,402 2.818,403 1.74,404 3.735,405 2.414,406 1.419,407 1.907,409 3.045,410 1.41,411 2.712,412 1.514,413 3.599,414 2.227,415 1.213,416 1.748,418 2.773,419 1.223,420 2.5,421 1.336,422 3.487,423 2,424 1,425 1.5,427 2.275,428 1,429 2.129,430 1.077,431 3.414,432 1.984,433 1,434 1,436 2.136,437 0.983,438 2,439 1,440 3.247,441 1.859,442 0.851,443 0.978,445 2.047,446 0.852,447 1.436,448 0.667,449 2.922,450 1.204,451 0.202,452 0.231,454 0.501,455 0.2,456 1.121,457 0.277,458 2.679,459 0.886,460 -0.117,461 -0.138,463 -0.287,464 -0.116,465 1.109,466 0.247,467 2.546,468 0.72,469 -0.288,470 -0.368,472 -0.675,473 -0.287,474 12.867,475 0.477,476 0.627,477 0.023,478 32.75,479 1.213,480 15.5,481 0.574,482 17.25,483 0.639,484 23.373,485 0.866,486 29.133,487 0.56,488 23.363,489 0.865,490 6.264,491 0.232,492 6.867,493 0.254,494 0.083,496 0.334,501 0.703,502 1.278,503 0.839,504 1.065,505 0.581,506 0.976,507 0.686,508 1.096,509 0.935,510 1.011,511 0.506,512 0.995,513 0.81,514 1.185,515 0.955,516 1.154,517 0.716,518 1.081,519 0.949,520 1.066,521 0.971,522 1.047,523 0.906,524 1.02,525 1.325,526 0.817,527 1.043,528 0.832,529 1.235,530 0.888,531 1.118,532 0.899,533 1.125,534 1.022,535 1.157,536 1.067,537 1.138,538 1.008,539 1.072,540 1.067,541 1.333,542 1.075,543 1.109,544 0.928,545 1.054,546 0.933,547 1.301,548 0.989,549 4.5,550 0.14,551 2.889,552 2.611,553 1.392,554 0.611,555 0.489,556 0.364,557 0.175,558 0.121,559 10099,560 23531,561 2.12,562 48.1,563 1,564 16,567 2,569 6,572 1.694,573 2,574 3.503,575 0.194,576 1,577 1,582 75.464,583 1.451,584 3.314,585 4.166,586 4.748,587 5.008,588 5.008,589 2.911,590 4.282,591 4.727,592 3.725,593 1307.36,594 8.168,595 17381.8,597 1,599 1,600 296.423,601 1.352,602 4.694,603 0.15,604 0.009,605 0.069,606 0.061,607 0.039,608 0.02,609 0.017,610 0.015,611 0.008,612 0.006,613 0.394,614 0.17,615 1,616 0.528,617 136.116,618 -0.032,619 -0.078,620 0.049,621 0.01,622 -0.027,623 0.035,624 0.089,625 0.042,626 -0.008,627 0.007,628 0.048,629 -0.008,630 0.011,631 -0.165,632 -0.005,633 -0.148,634 0.047,635 -0.086,636 0.15,637 -0.118,638 0.032,639 -0.089,640 0.202,641 -0.052,642 -0.106,643 0.129,644 -0.018,645 0.104,646 -0.041,647 0.064,648 -0.112,649 0.072,650 -0.145,651 -0.036,652 -0.135,653 -0.085,654 -0.092,655 -0.099,656 -0.085,657 -0.073,658 -0.148,659 -0.08,660 0.016,661 0.006,662 -0.05,663 0.033,664 -0.122,665 -0.017,666 1.908,667 5.573,668 0.778,669 26.505,670 0.994,671 1.125,672 3.548,673 12.588,674 0.66,675 3.434,676 3.761,677 4.06,678 4.331,679 4.522,680 4.5,681 4.575,682 4.682,683 4.718,684 4.718,685 7.146,686 0.621,687 363.5,688 3.434,689 4.977,690 5.838,691 6.72,692 7.597,693 8.487,694 9.373,695 10.268,696 11.159,697 12.058,698 5.8,701 1,702 1,705 1,715 8,720 4,722 12,733 1,741 52,743 14,744 2,745 30,747 55,748 22,749 12,750 4,751 8,752 2,756 4,757 5,767 2,768 1,770 3,772 14,773 8,774 1,777 2,782 2,786 2,790 1,793 25,794 5,795 2,796 5,802 3,805 1,808 0.75,809 2,828 1,829 3,832 1,855 1,859 3,868 27,869 1,876 7,880 1,881 2,893 3.8,896 2,901 13.5,902 9.067,903 5.917,904 3.292,907 2.172,908 1.286,909 0.998,910 5.172,911 9.754,912 3.664,913 4.19,914 4.723,915 5.231,916 5.658,917 5.643,918 5.868,919 6.013,920 6.098,921 5.947,922 0.875,923 43,924 10.084,926 4.408,927 0.026,929 7.716,931 19.556,933 16.722,936 2.216,937 59.833,940 1,941 270.735,942 113.559,943 39.146,945 50.29,948 113.559,949 321.025,950 39.146,952 19.151,953 108.707,954 59.699,955 15.438,957 270.735,959 270.735,960 152.705,961 50.29,964 200.109,965 120.916,968 22.275,969 130.43,972 270.735,973 89.436,974 113.559,977 270.735,978 37.749,979 82.059,981 83.187,982 270.735,983 89.436,984 113.559,986 0.582,987 0.349,988 0.193,989 0.102,990 21,991 9,992 0.091,993 5,994 1,995 1.095,996 3.998,997 228.231,998 0.095,999 21,1000 120.382,1005 18.058,1006 7.733,1007 3.721,1009 89.436,1010 15.631,1015 2.556,1017 32.897,1018 473.73,1019 38,1024 25.101,1028 -0.446,1031 51.68,1032 58.481,1034 0.255,1035 0.581,1036 0.731,1037 0.833,1038 0.879,1039 0.879,1040 4.913,1041 1.419,1042 5.82,1043 4.331,1044 4.443,1045 4.875,1046 1.988,1047 6.645,1048 4.41,1049 6.086,1050 1.213,1051 7.387,1052 3.045,1053 4.007,1054 4.575,1055 0.57,1056 7.588,1057 3.953,1058 7.376,1059 1,1060 9.059,1061 2.773,1062 6.043,1063 6.946,1064 2.147,1065 10.736,1066 5.973,1067 8.702,1068 1,1069 10.794,1070 2.275,1071 6.463,1072 7.499,1073 1.104,1074 12.585,1075 6.378,1076 10.065,1077 0.851,1078 12.573,1079 2.136,1080 7.96,1081 9.357,1082 2.46,1083 15.276,1084 7.859,1085 11.457,1086 0.202,1087 14.384,1088 2.047,1089 8.792,1090 10.336,1091 1.71,1092 17.515,1093 8.682,1094 12.873,1095 -0.117,1096 16.22,1097 0.501,1098 10.083,1099 11.976,1100 2.87,1101 20.068,1102 9.959,1103 3.352,1104 -0.288,1105 18.076,1106 -0.287,1107 11.114,1108 13.178,1109 2.357,1110 22.465,1111 10.982,1112 2.727,1113 12.092,1114 19.949,1115 -0.675,1116 12.333,1117 14.715,1118 3.342,1119 24.975,1120 12.189,1121 2.507,1122 8.052,1123 21.835,1124 4.26,1125 13.457,1126 16.034,1127 3.014,1128 27.433,1129 13.305,1130 2.411,1131 7.78,1132 23.734,1133 3.457,1134 14.656,1135 17.523,1136 3.854,1137 29.93,1138 14.494,1139 2.108,1140 6.951,1141 25.643,1142 3.067,1143 15.823,1144 18.903,1145 3.667,1146 32.41,1147 15.652,1148 2.04,1149 6.669,1150 27.56,1151 2.71,1152 17.019,1153 20.37,1154 4.391,1155 34.904,1156 16.839,1157 1.551,1158 5.857,1159 29.484,1160 2.627,1161 18.206,1162 21.782,1163 4.311,1164 37.391,1165 18.016,1166 9448,1167 14577,1168 20.285,1169 34.302,1170 45.242,1171 46.757,1172 46.216,1173 44.791,1174 44.763,1175 55.473,1176 6.475,1177 129.015,1178 44.086,1179 5.648,1180 5.964,1181 6.873,1182 5.377,1183 5.352,1184 7.26,1185 2.549,1186 19.525,1187 5.313,1188 11.441,1189 1.508,1190 1.559,1191 1.541,1192 1.493,1193 1.492,1194 1.849,1195 0.216,1196 4.301,1197 1.47,1198 4.041,1199 4.07,1200 4.005,1201 3.942,1202 7.447,1203 3.952,1204 3.943,1205 3.983,1206 3.862,1207 3.862,1208 7.408,1209 3.857,1210 3.819,1211 3.866,1212 3.704,1213 3.718,1214 5.09,1215 3.707,1216 3.53,1217 3.594,1218 3.435,1219 3.337,1220 4.756,1221 3.351,1222 3.301,1223 3.359,1224 3.179,1225 3.119,1226 4.465,1227 3.127,1228 3.111,1229 3.206,1230 3.028,1231 2.941,1232 4.322,1233 2.921,1234 3.107,1235 3.178,1236 2.885,1237 2.92,1238 3.986,1239 2.91,1240 3.062,1241 3.129,1242 2.866,1243 2.898,1244 3.748,1245 2.901,1246 0.155,1247 0.132,1248 0.236,1249 0.145,1250 0.112,1251 4.648,1252 0.142,1253 3.964,1254 0.045,1255 7.071,1256 0.403,1257 4.342,1258 0.11,1259 3.352,1260 4.26,1261 1.349,1262 12.092,1263 3.313,1264 1.934,1265 1.896,1266 2.1,1267 2.068,1268 1.482,1269 2.082,1270 1.89,1271 1.872,1272 2.013,1273 1.975,1274 1.165,1275 1.977,1276 1.84,1277 1.79,1278 1.976,1279 1.956,1280 1.086,1281 1.976,1282 1.521,1283 1.462,1284 1.737,1285 1.768,1286 1.011,1287 1.754,1288 1.249,1289 1.196,1290 1.513,1291 1.484,1292 0.825,1293 1.477,1294 1.153,1295 1.064,1296 1.466,1297 1.376,1298 0.691,1299 1.429,1300 1.072,1301 1.008,1302 1.32,1303 1.318,1304 0.437,1305 1.333,1306 1.008,1307 0.994,1308 1.186,1309 1.227,1310 0.243,1311 1.217,1312 4.111,1314 5.434,1315 2.398,1316 6.957,1317 4.949,1318 8.57,1319 7.209,1320 10.228,1326 5.899,1328 6.685,1332 0.554,1333 3.853,1340 32.289,1341 75.464,1342 172.31,1343 216.648,1344 246.913,1345 260.423,1346 260.423,1347 53.087,1348 7.582,1349 68.33,1350 68.33,1351 23,1352 12.583,1353 3.907,1354 3.17,1355 40.578,1356 118,1357 113,1358 0.168,1359 197.185,1360 347.38,1361 472.89,1362 21974,1364 18.803,1365 0.696,1366 0.572,1367 18.803,1368 15.434,1369 13.131,1370 0.438,1371 0.321,1372 9.547,1373 12.773,1374 9.354,1375 7.716,1376 13.131,1377 9.642,1378 11.735,1379 0.279,1380 0.179,1381 11.735,1382 7.526,1383 10.248,1384 0.18,1385 0.101,1386 10.248,1387 5.748,1388 8.69,1389 0.116,1390 0.055,1391 8.69,1392 4.149,1393 6.834,1394 0.075,1395 0.033,1396 6.834,1397 3.013,1398 0.271,1399 81.379,1400 0.222,1401 26.392,1402 0.441,1403 144,1404 368.074,1405 154.285,1406 360.145,1407 491.02,1408 336,1409 171,1410 357.752,1411 182.479,1412 365.176,1413 538.51,1414 344,1415 7.959}
{0 CHEMBL1385,1 1.453,2 6.35,3 0.907,4 0.822,5 77.01,6 7.009,7 0.261,8 3.791,9 3.895,10 3.319,11 3.311,12 4.784,13 3.294,14 4.397,15 4.55,16 3.744,17 3.784,18 5.34,19 3.751,20 4.731,21 4.911,22 3.952,23 4.045,24 5.663,25 3.984,26 4.864,27 5.068,28 3.887,29 4.076,30 5.756,31 3.978,32 4.814,33 5.048,34 3.632,35 3.91,36 5.656,37 3.784,38 4.624,39 4.88,40 3.229,41 3.6,42 5.458,43 3.44,44 4.324,45 4.608,46 2.788,47 3.173,48 5.284,49 2.981,50 4.024,51 4.382,52 1.616,53 2.648,54 4.749,55 2.316,56 0.031,57 0.54,58 9.019,59 4.006,60 9.057,61 5.092,62 0.163,63 0.932,64 17.71,65 6.99,66 19.994,67 9.061,68 0.303,69 1.26,70 25.299,71 9.97,72 34.16,73 13.235,74 0.347,75 1.391,76 29.492,77 11.206,78 41.795,79 15.202,80 0.385,81 1.268,82 28.992,83 10.111,84 34.498,85 14.031,86 0.365,87 0.992,88 24.562,89 8.132,90 34.89,91 11.428,92 0.397,93 0.693,94 18.746,95 5.838,96 41.562,97 8.456,98 0.256,99 0.483,100 14.492,101 4.048,102 29.986,103 6.3,104 6,105 35,106 0.263,107 0.641,108 0.861,109 0.898,110 0.898,111 0.898,112 3.063,113 0.939,114 -2.92,115 -2.92,116 -2.82,121 41,123 2,125 1,126 1,127 2,129 2,137 2,144 2,145 2,146 2,176 7,180 4,185 4,187 9,191 1,192 6,197 4,200 9,206 4,209 1,211 3,214 5,219 3,222 1,224 4,227 5,232 1,235 1,237 1,239 1,247 1,248 1,249 2,281 378,282 13.833,283 13.833,284 13.833,285 13.833,286 13.833,287 12.989,288 23.722,289 7.85,290 14.207,291 11.274,292 11.274,293 11.274,294 11.274,295 11.274,296 9.8,297 35.709,298 3.583,299 11.803,300 3.832,301 1.746,302 0.532,303 0.327,304 0.327,305 0.327,306 3.763,311 1,312 1,313 282,314 2.646,317 19.1,318 56.013,319 31.301,321 79.128,322 43.309,323 51.288,324 56.055,325 0.85,326 19.719,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 43.5,338 127,339 4.866,340 4.064,341 8.074,342 4.71,343 3.726,344 4.352,345 0.86,346 15.706,347 3.67,348 4.09,349 3.095,350 6.477,351 3.771,352 2.804,353 3.403,354 0.86,355 9.85,356 2.71,357 3.63,358 2.821,359 5.792,360 3.351,361 2.402,362 2.916,363 0.765,364 7.662,365 2.267,366 3.337,367 2.636,368 5.213,369 3.17,370 2.208,371 2.414,372 0.68,373 6.286,374 2.116,375 2.96,376 2.285,377 4.851,378 2.67,379 1.747,380 2.05,381 0.657,382 5.064,383 1.606,384 2.812,385 1.93,386 4.755,387 2.536,388 1.588,389 1.816,391 4.571,392 1.5,393 2.546,394 1.664,395 3.95,396 2.369,397 1.416,398 1.546,400 3.185,401 1.343,402 2.098,403 1.165,404 3.746,405 1.678,406 0.736,407 0.891,409 1.786,410 0.684,411 1.875,412 1.002,413 3.281,414 1.626,415 0.71,416 0.813,418 1.454,419 0.647,420 1.311,421 0.549,422 2.954,423 1.1,424 0.181,425 0.199,427 0.347,428 0.165,429 1.009,430 0.208,431 2.842,432 0.785,433 -0.166,434 -0.183,436 -0.443,437 -0.155,438 0.903,439 0.084,440 2.739,441 0.646,442 -0.28,443 -0.314,445 -0.574,446 -0.258,447 0.529,448 -0.21,449 2.629,450 0.303,451 -0.64,452 -0.69,454 -1.783,455 -0.589,456 0.234,457 -0.419,458 2.254,459 0.027,460 -0.914,461 -0.978,463 -2.473,464 -0.858,465 -0.024,466 -0.843,467 2.163,468 -0.165,469 -1.139,470 -1.324,472 -3.151,473 -1.109,474 9.4,475 0.47,476 0.515,477 0.026,478 21.25,479 1.063,480 8,481 0.4,482 13.25,483 0.663,484 18.827,485 0.941,486 22.4,487 0.574,488 13.944,489 0.697,490 3.98,491 0.199,492 5.763,493 0.288,494 0.089,495 0.053,496 0.319,501 0.925,502 1.191,503 0.835,504 1.095,505 0.967,506 0.967,507 1.145,508 0.973,509 0.921,510 0.937,511 0.908,512 0.889,513 0.907,514 1.039,515 0.907,516 1.017,517 0.888,518 0.97,519 0.907,520 1.182,521 1.039,522 1.166,523 0.767,524 1.135,525 1.069,526 1.091,527 1.119,528 1.094,529 0.808,530 1.113,531 1.136,532 1.054,533 1.169,534 1.101,535 1.088,536 1.137,537 0.968,538 0.951,539 1.044,540 0.986,541 1.244,542 1.027,543 1.01,544 0.626,545 0.993,546 0.684,547 1.582,548 0.804,549 4.5,551 3.111,552 2.389,553 1.637,554 0.751,555 0.364,556 0.195,559 3186,560 7501,561 2.182,562 48.7,564 13,567 2,569 2,570 2,572 1.63,573 2.051,574 2.648,575 0.311,577 1,579 1,582 56.665,583 1.453,584 3.539,585 4.753,586 4.958,587 4.958,588 4.958,589 1.861,590 3.922,591 4.295,592 2.708,593 514.567,594 7.401,595 4950.96,596 1,597 1,600 206.131,601 1.544,602 4.251,603 0.196,605 0.089,606 0.057,607 0.044,608 0.028,609 0.023,610 0.022,613 0.458,614 0.83,615 1,616 0.764,617 83.689,618 -0.067,619 -0.001,620 0.06,621 0.027,622 -0.111,623 0.062,624 -0.135,625 0.142,626 0.021,627 0.116,628 -0.06,629 0.104,630 0.023,631 0.013,632 0.034,633 0.025,634 -0.005,635 0.032,636 0.009,637 -0.175,638 -0.091,639 -0.153,640 0.003,641 -0.143,642 -0.078,643 -0.121,644 -0.143,645 -0.131,646 -0.055,647 -0.148,648 -0.076,649 -0.134,650 -0.171,651 -0.171,652 -0.084,653 -0.187,654 0.133,655 -0.089,656 -0.021,657 -0.09,658 0.17,659 -0.088,660 -0.085,661 0.176,662 0.043,663 0.142,664 -0.125,665 0.124,666 1.745,667 3.916,668 0.85,669 10.6,670 1.001,671 1.125,672 1.688,673 2.849,674 0.647,675 3.178,676 3.584,677 3.989,678 4.382,679 4.727,680 4.934,681 5.075,682 5.204,683 5.204,684 5.209,685 3.899,686 0.613,687 273.36,688 3.178,689 4.762,690 5.68,691 6.629,692 7.577,693 8.538,694 9.495,695 10.459,696 11.421,697 12.386,698 2.6,700 1,715 2,720 4,722 6,739 2,741 39,743 7,744 1,745 23,747 42,748 16,749 6,750 4,751 2,756 4,757 12,764 1,766 1,767 4,770 4,772 8,773 8,777 1,784 2,789 1,790 1,793 19,794 4,795 2,796 4,802 1,808 0.25,809 3,811 1,828 1,829 2,830 1,832 2,833 1,834 1,835 1,849 2,853 1,857 1,859 1,864 1,868 20,875 1,876 4,877 1,878 2,880 2,882 1,893 7.7,894 1,898 2,901 9.75,902 7.033,903 4.333,904 2.372,907 1.599,908 1.213,909 0.944,910 2.759,911 9.089,912 3.332,913 3.902,914 4.519,915 5.105,916 5.654,917 5.973,918 6.279,919 6.582,920 6.736,921 6.913,922 0.6,923 42,924 7.461,926 3.352,927 0.026,929 7.604,931 14.636,933 13.107,936 2.104,937 42.083,938 0.001,941 200.109,942 74.927,943 18.011,945 64.683,948 74.927,949 264.792,950 18.011,951 10.883,952 9.28,953 98.599,955 38.858,957 200.109,959 200.109,960 92.937,961 64.683,964 153.024,965 69.084,966 42.683,968 27.291,969 46.694,970 18.952,972 200.109,973 82.694,974 74.927,977 200.109,978 26.138,979 48.788,980 18.011,981 64.683,982 200.109,983 82.694,984 74.927,986 0.591,987 0.374,988 0.225,989 0.138,990 21,991 8,992 0.024,993 1,994 4,995 1.412,996 3.068,997 175.473,998 0.471,999 16,1000 86.439,1005 12.539,1006 4.4,1007 1.663,1009 82.694,1010 4.106,1015 4.205,1017 60.694,1018 357.729,1019 27,1026 4.08,1031 39.036,1032 43.863,1034 0.275,1035 0.67,1036 0.899,1037 0.938,1038 0.938,1039 0.938,1040 4.649,1041 0.736,1042 5.727,1043 3.185,1044 4.263,1045 4.585,1046 1.934,1047 6.715,1048 4.183,1049 5.861,1050 0.71,1051 7.397,1052 1.786,1053 4.111,1054 4.511,1056 8.227,1057 4.029,1058 7.215,1059 0.181,1060 9.192,1061 1.454,1062 6.057,1063 6.743,1064 1.542,1065 11.414,1066 5.94,1067 8.612,1068 -0.166,1069 11.069,1070 0.347,1071 6.781,1072 7.523,1074 13.804,1075 6.669,1076 10.052,1077 -0.28,1078 13.002,1079 -0.443,1080 8.258,1081 9.272,1082 1.217,1083 16.647,1084 8.125,1085 11.523,1086 -0.64,1087 14.976,1088 -0.574,1089 9.35,1090 10.428,1092 19.301,1093 9.216,1094 13.017,1095 -0.914,1096 16.98,1097 -1.783,1098 10.692,1099 12.003,1100 0.952,1101 22.072,1102 10.544,1103 3.726,1104 -1.139,1105 19.004,1106 -2.473,1107 11.924,1108 13.327,1110 24.797,1111 11.769,1112 2.804,1113 15.706,1114 21.045,1115 -3.151,1116 13.235,1117 14.836,1118 0.739,1119 27.554,1120 13.068,1121 2.402,1122 9.85,1123 23.097,1124 4.352,1125 14.518,1126 16.236,1128 30.299,1129 14.339,1130 2.208,1131 7.662,1132 25.158,1133 3.403,1134 15.825,1135 17.72,1136 0.569,1137 33.053,1138 15.633,1139 1.747,1140 6.286,1141 27.226,1142 2.916,1143 17.126,1144 19.156,1146 35.805,1147 16.922,1148 1.588,1149 5.064,1150 29.298,1151 2.414,1152 18.436,1153 20.63,1154 0.435,1155 38.558,1156 18.217,1157 1.416,1158 4.571,1159 31.375,1160 2.05,1161 19.745,1162 22.083,1164 41.311,1165 19.512,1166 3076,1167 4767,1168 15.603,1169 25.222,1170 35.572,1171 35.621,1172 37.498,1173 35.007,1174 35.037,1175 40.799,1176 7.644,1177 111.823,1178 33.413,1179 5.826,1180 6.064,1181 7.713,1182 5.798,1183 5.726,1184 7.352,1185 1.72,1186 24.181,1187 5.67,1188 7.568,1189 1.547,1190 1.549,1191 1.63,1192 1.522,1193 1.523,1194 1.774,1195 0.332,1196 4.862,1197 1.453,1198 4.099,1199 4.117,1200 4.051,1201 4.018,1202 6.451,1203 4.023,1204 3.726,1205 3.758,1206 3.64,1207 3.632,1208 4.941,1209 3.629,1210 3.532,1211 3.602,1212 3.397,1213 3.331,1214 4.54,1215 3.335,1216 3.253,1217 3.315,1218 3.117,1219 3.06,1220 4.322,1221 3.066,1222 3.201,1223 3.254,1224 3.033,1225 2.942,1226 4.198,1227 2.95,1228 3.065,1229 3.134,1230 2.899,1231 2.898,1232 4.049,1233 2.887,1234 2.903,1235 2.978,1236 2.694,1237 2.741,1238 3.497,1239 2.718,1240 2.632,1241 2.692,1242 2.475,1243 2.452,1244 3.421,1245 2.45,1246 0.212,1247 0.177,1248 0.351,1249 0.205,1250 0.162,1251 4.866,1252 0.189,1253 4.064,1254 0.037,1255 8.074,1256 0.683,1257 4.71,1258 0.16,1259 3.726,1260 4.352,1261 0.86,1262 15.706,1263 3.67,1264 1.944,1265 1.926,1266 2.051,1267 2.019,1268 1.424,1269 2.03,1270 1.808,1271 1.779,1272 1.947,1273 1.957,1274 1.157,1275 1.955,1276 1.513,1277 1.442,1278 1.762,1279 1.751,1280 1.045,1281 1.757,1282 1.264,1283 1.214,1284 1.585,1285 1.541,1286 0.655,1287 1.555,1288 1.094,1289 1.038,1290 1.401,1291 1.354,1292 0.537,1293 1.367,1294 1.077,1295 0.993,1296 1.364,1297 1.284,1298 0.508,1299 1.314,1300 0.8,1301 0.742,1302 1.115,1303 1.078,1304 0.408,1305 1.089,1306 0.733,1307 0.686,1308 0.947,1309 0.946,1310 0.061,1311 0.953,1312 3.85,1314 5.231,1315 2.398,1316 6.834,1317 5.043,1318 8.549,1319 7.402,1320 10.328,1322 1.676,1327 9.916,1328 3.457,1329 3.479,1330 11.677,1332 -0.405,1334 -0.109,1340 23.907,1341 56.665,1342 138.025,1343 185.376,1344 193.376,1345 193.376,1346 193.376,1347 29.871,1348 7.49,1349 50.72,1350 50.72,1351 24,1352 12.866,1353 3,1354 2.322,1355 25.78,1356 48,1357 48,1358 0.293,1359 141.748,1360 251.83,1361 337.625,1362 15945,1364 13.742,1365 0.687,1366 0.578,1367 13.742,1368 11.556,1369 9.743,1370 0.424,1371 0.313,1372 7.083,1373 9.333,1374 6.934,1375 5.649,1376 9.743,1377 7.196,1378 8.987,1379 0.257,1380 0.168,1381 8.987,1382 5.867,1383 8.297,1384 0.157,1385 0.091,1386 8.297,1387 4.83,1388 7.542,1389 0.095,1390 0.049,1391 7.542,1392 3.865,1393 6.819,1394 0.061,1395 0.027,1396 6.819,1397 3.063,1398 0.417,1399 61.468,1400 0.253,1401 18.732,1402 0.956,1403 116,1404 297.954,1405 126.577,1406 277.941,1407 388.28,1408 264,1409 146,1410 288.309,1411 157.576,1412 289.903,1413 438.9,1414 274,1415 5.971}
{0 CHEMBL138552,1 1.568,2 13.071,3 4.096,4 16.778,5 110.758,6 7.653,7 0.387,8 4.042,9 4.162,10 3.637,11 3.615,12 5.074,13 3.579,14 4.62,15 4.796,16 4.02,17 4.044,18 5.633,19 3.976,20 4.946,21 5.164,22 4.089,23 4.218,24 5.893,25 4.112,26 5.04,27 5.294,28 3.996,29 4.141,30 6.088,31 4.012,32 4.937,33 5.206,34 3.846,35 4.035,36 5.848,37 3.905,38 4.786,39 5.02,40 3.897,41 3.975,42 5.837,43 3.858,44 4.778,45 5.025,46 3.615,47 3.908,48 5.708,49 3.763,50 4.659,51 4.92,52 3.475,53 3.769,54 5.585,55 3.61,56 0.01,57 0.748,58 10.421,59 4.772,60 5.173,61 6.376,62 0.281,63 1.263,64 21.188,65 8.285,66 21.544,67 11.432,68 0.203,69 1.6,70 33.42,71 12.113,72 32.937,73 16.611,74 0.523,75 1.642,76 38.949,77 12.873,78 89.573,79 17.975,80 0.432,81 1.465,82 36.162,83 11.491,84 63.907,85 15.917,86 0.459,87 1.293,88 30.509,89 10.255,90 63.912,91 13.992,92 0.301,93 1.256,94 28.44,95 10.308,96 57.316,97 14.004,98 0.461,99 1.098,100 28.024,101 9.05,102 56.338,103 12.43,104 10,105 43,106 0.262,107 0.574,108 0.727,109 0.818,110 0.844,111 0.844,112 3.374,113 0.984,114 -4.89,115 -4.79,116 -4.5,121 42.3,123 3,124 1,127 4,144 8,145 2,146 2,160 1,161 1,176 11,179 2,180 6,183 2,185 2,187 14,192 6,197 1,200 5,205 1,206 13,209 1,211 3,214 4,219 4,224 1,227 7,231 1,232 8,237 2,239 12,251 10,255 2,256 2,259 1,264 8,269 3,277 2,281 1206,282 19.016,283 19.016,284 19.016,285 19.016,286 19.016,287 17.291,288 24.213,289 11.259,290 19.381,291 15.305,292 15.305,293 15.305,294 15.305,295 15.305,296 12.675,297 31.413,298 5.396,299 15.91,300 4.133,301 2.271,302 1.356,303 0.813,304 0.654,305 0.654,306 4.073,308 1,311 1,312 1,313 802,314 2.739,318 349.215,322 134.974,325 1.939,326 28.307,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 59.833,338 366,339 4.482,340 3.909,341 6.75,342 4.172,343 3.197,344 4.058,345 1.725,346 10.938,347 3.111,348 3.941,349 3.328,350 5.952,351 3.692,352 2.728,353 3.457,354 1.058,355 8.258,356 2.635,357 3.889,358 3.018,359 5.616,360 3.536,361 2.581,362 3.225,363 0.916,364 7.784,365 2.488,366 3.6,367 2.982,368 5.327,369 3.436,370 2.45,371 2.743,372 0.214,373 6.932,374 2.382,375 3.495,376 2.569,377 5.249,378 3.093,379 2.131,380 2.63,381 0.172,382 6.272,383 2.036,384 3.254,385 2.456,386 4.954,387 3.027,388 2.069,389 2.417,391 5.863,392 1.965,393 3.158,394 2.246,395 4.868,396 2.843,397 1.925,398 2.232,400 5.452,401 1.678,402 2.824,403 1.826,404 3.961,405 2.419,406 1.423,407 1.925,409 3.065,410 1.416,411 2.649,412 1.514,413 3.623,414 2.173,415 1.171,416 1.66,418 3,419 1.163,420 2.5,421 1.473,422 3.573,423 2,424 1,425 1.5,427 2.291,428 1,429 2.209,430 1.077,431 3.414,432 1.984,433 1,434 1.094,436 2.275,437 0.983,438 2,439 1,440 3.247,441 1.954,442 0.953,443 1,445 2.136,446 0.936,447 1.445,448 0.689,449 3.015,450 1.254,451 0.267,452 0.296,454 0.672,455 0.259,456 1.348,457 0.581,458 2.819,459 0.92,460 -0.061,461 -0.071,463 -0.152,464 -0.054,465 1.119,466 0.38,467 2.724,468 0.908,469 -0.08,470 -0.102,472 -0.206,473 -0.078,474 13.581,475 0.485,476 0.661,477 0.024,478 33.75,479 1.205,480 15.5,481 0.554,482 18.25,483 0.652,484 25.196,485 0.9,486 30.219,487 0.581,488 23.857,489 0.852,490 6.419,491 0.229,492 7.179,493 0.256,494 0.102,496 0.317,501 0.644,502 1.368,503 0.659,504 1.024,505 0.491,506 0.952,507 0.6,508 1.075,509 0.766,510 0.944,511 0.47,512 0.978,513 0.862,514 1.184,515 0.922,516 1.108,517 0.74,518 1.073,519 0.907,520 1.053,521 0.82,522 0.992,523 0.931,524 0.991,525 1.195,526 0.812,527 0.838,528 0.765,529 1.213,530 0.819,531 0.777,532 0.945,533 0.811,534 1.041,535 0.911,536 1.025,537 1.13,538 1.039,539 0.832,540 1.002,541 1.408,542 1.06,543 1.095,544 0.794,545 1.025,546 0.886,547 1.293,548 0.981,549 5.5,550 0.173,551 2.889,552 1.813,553 1.742,554 0.785,555 0.544,556 0.359,557 0.192,558 0.123,559 11249,560 29535,561 2.115,562 46.2,563 1,564 16,567 1,569 6,572 1.704,573 2,574 3.622,575 -0.358,577 1,582 81.521,583 1.568,584 3.429,585 4.344,586 4.888,587 5.047,588 5.047,589 3.115,590 4.209,591 4.778,592 3.807,593 1439.13,594 8.272,595 19695.4,597 1,599 1,600 296.423,601 1.333,602 4.748,603 0.177,604 0.009,605 0.067,606 0.041,607 0.047,608 0.024,609 0.017,610 0.014,611 0.009,612 0.006,613 0.411,614 0.33,615 1,616 0.517,617 143.252,618 -0.02,619 -0.171,620 0.033,621 -0.036,622 0.001,623 0.007,624 0.156,625 0.076,626 0.001,627 0.007,628 0.089,629 -0.033,630 -0.039,631 -0.162,632 -0.043,633 -0.135,634 0.019,635 -0.095,636 0.116,637 -0.096,638 0.05,639 -0.051,640 0.159,641 -0.024,642 -0.124,643 0.139,644 0.064,645 0.171,646 -0.093,647 0.146,648 0.192,649 0.032,650 0.077,651 -0.077,652 0.113,653 -0.05,654 -0.116,655 -0.104,656 -0.053,657 -0.052,658 -0.169,659 -0.084,660 -0.019,661 0.146,662 -0.08,663 0.068,664 -0.14,665 -0.008,666 2.027,667 5.68,668 0.786,669 29.158,670 1,671 1.124,672 3.658,673 13.379,674 0.676,675 3.466,676 3.784,677 4.043,678 4.29,679 4.533,680 4.564,681 4.595,682 4.727,683 4.779,684 4.787,685 7.439,686 0.637,687 397.94,688 3.466,689 5.004,690 5.849,691 6.72,692 7.58,693 8.456,694 9.323,695 10.202,696 11.073,697 11.955,698 5.8,701 1,705 2,715 8,720 4,722 12,740 1,741 52,743 14,744 2,745 31,747 55,748 22,749 12,750 4,751 8,752 1,756 4,757 5,758 1,761 1,767 2,768 1,770 3,772 14,773 8,774 1,777 2,782 2,786 2,790 1,793 24,794 5,795 1,796 6,797 1,802 3,805 1,808 0.75,809 2,829 4,833 1,855 1,859 3,865 1,868 28,876 7,877 1,880 1,881 2,892 1,893 3.8,896 2,901 14,902 9.126,903 6.111,904 3.3,907 2.148,908 1.281,909 0.991,910 5.883,911 9.805,912 3.689,913 4.205,914 4.682,915 5.168,916 5.616,917 5.701,918 5.786,919 6.034,920 6.099,921 6.142,922 0.889,923 44,924 10.436,926 4.524,927 0.026,929 7.73,931 20.182,933 17.092,936 2.23,937 62.444,939 1,940 1,941 270.735,942 113.445,943 24.259,944 39.149,945 50.29,948 113.445,949 360.174,950 24.259,952 37.161,953 75.81,954 54.995,955 15.753,956 4.276,957 270.735,958 39.149,959 270.735,960 137.705,961 50.29,962 39.149,964 200.109,965 120.916,968 40.286,969 97.419,970 39.149,972 270.735,973 74.549,974 152.594,977 270.735,978 37.635,979 82.059,980 18.011,981 89.438,982 270.735,983 74.549,984 152.594,986 0.582,987 0.337,988 0.181,989 0.101,990 21,991 9,992 0.091,993 5,994 1,995 1.091,996 4.1,997 237.561,998 0.091,999 22,1000 124.606,1005 19.285,1006 8.541,1007 4.527,1009 74.549,1010 15.497,1015 2.84,1017 18.011,1018 497.879,1019 39,1024 25.03,1028 -0.599,1031 52.003,1032 58.425,1034 0.275,1035 0.602,1036 0.762,1037 0.857,1038 0.885,1039 0.885,1040 4.934,1041 1.423,1042 5.826,1043 5.452,1044 4.466,1045 4.89,1046 2.289,1047 6.613,1048 4.395,1049 6.101,1050 1.171,1051 7.37,1052 3.065,1053 4.007,1054 4.575,1055 1.404,1056 7.452,1057 3.868,1058 7.383,1059 1,1060 9.011,1061 3,1062 6.038,1063 6.928,1064 2.794,1065 10.552,1066 5.902,1067 8.693,1068 1,1069 10.711,1070 2.291,1071 6.382,1072 7.402,1073 2.561,1074 12.229,1075 6.195,1076 10.034,1077 0.953,1078 12.45,1079 2.275,1080 7.88,1081 9.26,1082 3.577,1083 14.863,1084 7.686,1085 11.398,1086 0.267,1087 14.218,1088 2.136,1089 8.616,1090 10.127,1091 3.705,1092 16.919,1093 8.385,1094 12.78,1095 -0.061,1096 16.006,1097 0.672,1098 9.892,1099 11.767,1100 4.514,1101 19.397,1102 9.645,1103 3.197,1104 -0.08,1105 17.813,1106 -0.152,1107 10.831,1108 12.852,1109 4.838,1110 21.632,1111 10.554,1112 2.728,1113 10.938,1114 19.633,1115 -0.206,1116 12.016,1117 14.379,1118 5.53,1119 24.054,1120 11.718,1121 2.581,1122 8.258,1123 21.467,1124 4.058,1125 13.059,1126 15.591,1127 5.957,1128 26.373,1129 12.733,1130 2.45,1131 7.784,1132 23.311,1133 3.457,1134 14.212,1135 17.058,1136 6.584,1137 28.775,1138 13.863,1139 2.131,1140 6.932,1141 25.164,1142 3.225,1143 15.307,1144 18.345,1145 7.065,1146 31.132,1147 14.932,1148 2.069,1149 6.272,1150 27.026,1151 2.743,1152 16.452,1153 19.779,1154 7.656,1155 33.527,1156 16.052,1157 1.925,1158 5.863,1159 28.894,1160 2.63,1161 17.575,1162 21.111,1163 8.166,1164 35.902,1165 17.149,1166 10529,1167 17307,1168 20.978,1169 35.159,1170 46.363,1171 48.188,1172 47.058,1173 46.003,1174 45.791,1175 56.473,1176 8.173,1177 129.875,1178 44.104,1179 5.482,1180 5.909,1181 6.552,1182 5.244,1183 5.197,1184 7.058,1185 3.025,1186 18.455,1187 5.111,1188 11.882,1189 1.496,1190 1.554,1191 1.518,1192 1.484,1193 1.477,1194 1.822,1195 0.264,1196 4.19,1197 1.423,1198 4.014,1199 4.05,1200 4.047,1201 3.912,1202 7.445,1203 3.917,1204 3.937,1205 3.974,1206 3.867,1207 3.858,1208 7.412,1209 3.854,1210 3.821,1211 3.867,1212 3.733,1213 3.721,1214 4.928,1215 3.71,1216 3.57,1217 3.621,1218 3.635,1219 3.368,1220 4.755,1221 3.39,1222 3.324,1223 3.384,1224 3.272,1225 3.134,1226 4.353,1227 3.142,1228 3.118,1229 3.206,1230 3.142,1231 2.941,1232 4.305,1233 2.917,1234 3.111,1235 3.179,1236 2.999,1237 2.931,1238 3.971,1239 2.91,1240 3.059,1241 3.089,1242 2.866,1243 2.879,1244 3.851,1245 2.904,1246 0.145,1247 0.126,1248 0.218,1249 0.135,1250 0.103,1251 4.482,1252 0.131,1253 3.909,1254 0.056,1255 6.75,1256 0.353,1257 4.172,1258 0.1,1259 3.197,1260 4.058,1261 1.725,1262 10.938,1263 3.111,1264 1.942,1265 1.913,1266 2.102,1267 2.082,1268 1.483,1269 2.088,1270 1.922,1271 1.893,1272 2.019,1273 2.037,1274 1.171,1275 2.03,1276 1.833,1277 1.784,1278 1.978,1279 1.945,1280 1.115,1281 1.967,1282 1.503,1283 1.444,1284 1.723,1285 1.717,1286 0.992,1287 1.723,1288 1.264,1289 1.211,1290 1.513,1291 1.499,1292 0.825,1293 1.491,1294 1.153,1295 1.064,1296 1.467,1297 1.376,1298 0.688,1299 1.429,1300 1.088,1301 1.02,1302 1.326,1303 1.321,1304 0.443,1305 1.339,1306 0.978,1307 0.949,1308 1.181,1309 1.21,1310 0.291,1311 1.187,1312 4.143,1314 5.46,1316 6.976,1318 8.586,1320 10.244,1323 5.954,1328 6.602,1329 2.777,1332 0.541,1333 3.803,1340 33.116,1341 81.521,1342 178.31,1343 225.894,1344 254.158,1345 262.423,1346 262.423,1347 53.231,1348 7.657,1349 58.1,1350 58.1,1351 24,1352 12.492,1353 3.907,1354 3.17,1355 42.805,1356 127,1357 122,1358 0.164,1359 205.517,1360 362.59,1361 493.223,1362 24537,1363 1.9,1364 19.51,1365 0.697,1366 0.589,1367 20.01,1368 16.491,1369 13.597,1370 0.439,1371 0.328,1372 9.715,1373 12.901,1374 9.495,1375 7.815,1376 13.886,1377 10.164,1378 12.282,1379 0.286,1380 0.186,1381 12.69,1382 8.007,1383 10.326,1384 0.184,1385 0.105,1386 10.588,1387 5.896,1388 8.599,1389 0.119,1390 0.058,1391 8.834,1392 4.188,1393 6.926,1394 0.075,1395 0.034,1396 7.158,1397 3.127,1398 0.266,1399 87.472,1400 0.218,1401 27.296,1402 0.429,1403 148,1404 403.298,1405 174.997,1406 421.177,1407 560.8,1408 392,1409 173,1410 383.023,1411 194.904,1412 398.456,1413 584.18,1414 375,1415 8.347}
{0 CHEMBL139330,1 1.406,2 5.8,3 0.796,4 0.633,5 58.738,6 6.312,7 0.4,8 3.543,9 3.677,10 2.954,11 2.981,12 4.591,13 2.94,14 4.092,15 4.321,16 3.312,17 3.338,18 5.116,19 3.292,20 4.278,21 4.449,22 3.296,23 3.559,24 5.314,25 3.456,26 4.5,27 4.781,28 3.168,29 3.571,30 5.33,31 3.395,32 4.33,33 4.6,34 3.076,35 3.377,36 5.252,37 3.224,38 4.157,39 4.394,40 2.761,41 3.128,42 5.148,43 2.993,44 3.958,45 4.23,46 2.406,47 2.985,48 4.924,49 2.768,50 4.022,51 4.377,52 1.318,53 2.622,54 4.868,55 2.253,56 0.019,57 0.436,58 7.935,59 2.998,60 5.449,61 4.331,62 0.245,63 0.66,64 14.149,65 4.419,66 22.024,67 6.691,68 0.166,69 0.795,70 16.921,71 6.256,72 24.79,73 8.752,74 0.237,75 0.861,76 20.588,77 7.377,78 28.387,79 10.841,80 0.129,81 0.717,82 17.395,83 6.057,84 25.46,85 8.914,86 0.347,87 0.564,88 15.414,89 4.356,90 33.964,91 6.375,92 0.093,93 0.492,94 11.86,95 4.153,96 20.371,97 6.197,98 0.239,99 0.385,100 12.823,101 3.666,102 43.975,103 5.662,104 42,105 22,106 0.27,107 0.533,108 0.657,109 0.719,110 0.719,111 0.719,112 2.794,113 1.02,114 -0.2,115 -0.35,116 -0.52,121 36.4,122 2,126 3,144 3,145 1,146 2,160 1,176 3,179 1,180 4,187 4,189 2,192 2,200 3,203 1,206 3,208 1,214 2,216 1,219 2,227 2,229 1,232 1,234 1,239 1,241 1,281 203,282 8.972,283 8.972,284 8.972,285 8.972,286 8.972,287 8.027,288 12.852,289 5.127,290 9.191,291 7.385,292 7.385,293 7.385,294 7.385,295 7.385,296 5.961,297 17.644,298 2.432,299 7.762,300 3.639,301 2.269,302 1.623,303 1.297,304 1.297,305 1.297,306 3.397,311 1,312 1,313 165,314 3.391,318 51.619,325 0.907,326 11.58,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 32.5,338 87,339 4.483,340 3.69,341 7.119,342 4.25,343 3.328,344 3.995,345 2.443,346 11.704,347 3.077,348 4.061,349 3.631,350 6.047,351 3.73,352 2.778,353 3.349,354 1.2,355 8.68,356 2.636,357 3.482,358 2.936,359 4.683,360 3.094,361 2.103,362 2.662,363 0.286,364 5.157,365 2.054,366 2.911,367 1.797,368 4.589,369 2.548,370 1.573,371 2.024,373 4.613,374 1.53,375 2.806,376 1.728,377 4.029,378 2.362,379 1.377,380 1.913,382 3.491,383 1.347,384 1.454,385 0.781,386 2.889,387 1.137,388 0.178,389 0.214,391 0.419,392 0.169,393 0.89,394 0.359,395 2.667,396 0.505,397 -0.453,398 -0.545,400 -1.203,401 -0.429,402 0.544,403 -0.078,404 2.172,405 0.102,406 -1,407 -1,409 -2,410 -0.9,411 0.26,412 -0.6,413 2,414 -0.034,415 -1,416 -1,418 -2.978,419 -0.9,421 -0.6,422 2,423 -0.1,424 -1,425 -1.228,427 -3,428 -0.958,430 -0.685,431 1.775,432 -0.1,433 -1,434 -1.459,435 -0.4,436 -3,437 -1.1,438 -0.044,439 -0.956,440 1.257,441 -0.27,442 -1.249,443 -1.542,444 -0.4,445 -3.327,446 -1.213,447 -0.5,448 -1.304,449 1.068,450 -0.825,451 -1.747,452 -2.085,453 -0.4,454 -5.379,455 -1.575,456 -0.602,457 -1.619,458 1,459 -1,460 -1.889,461 -2.298,462 -0.998,463 -6.181,464 -1.737,465 -0.745,466 -2,467 0.707,468 -1,469 -2,470 -3,471 -1.731,472 -6.995,473 -2,474 7.067,475 0.471,476 0.696,477 0.046,478 17.25,479 1.15,480 8,481 0.533,482 9.25,483 0.617,484 11.325,485 0.755,486 17.833,487 0.54,488 11.923,489 0.795,490 3.665,491 0.244,492 3.139,493 0.209,494 0.401,495 0.057,496 0.283,501 0.786,502 1.731,503 0.951,504 1.438,505 0.653,506 1.246,507 0.875,508 0.73,509 0.735,510 0.647,511 0.375,512 0.633,513 1.338,514 1.364,515 1.365,516 1.376,517 1.136,518 1.379,519 0.668,520 0.952,521 0.889,522 0.994,523 0.523,524 0.982,525 0.771,526 1.156,527 0.871,528 1.143,529 0.782,530 1.042,531 2.028,532 0.862,533 1.431,534 0.888,535 1.763,536 1.053,537 0.724,538 1.288,539 1.197,540 1.389,541 1.025,542 1.363,543 1.312,544 0.624,545 1.032,546 0.693,547 2.367,548 0.817,549 5.5,551 2.222,552 1.188,553 1.053,554 0.639,555 0.325,559 1245,560 2987,561 1.769,562 54.5,563 3,564 12,568 3,572 1.536,573 1.565,574 2.62,575 -0.781,577 1,579 1,582 46.387,583 1.406,584 2.776,585 3.422,586 3.748,587 3.748,588 3.748,589 1.933,590 3.19,591 3.879,592 2.715,593 285.027,594 6.524,595 2374.59,597 1,600 166.465,601 1.806,602 3.74,603 0.367,605 0.101,606 0.059,607 0.062,608 0.043,609 0.032,613 0.664,614 1,615 1,616 1.437,617 57.941,618 0.019,619 -0.418,620 0.05,621 -0.227,622 -0.085,623 -0.108,624 0.157,625 0.424,626 0.289,627 0.346,628 0.281,629 0.355,630 -0.214,631 -0.209,632 -0.354,633 -0.251,634 -0.193,635 -0.316,636 0.066,637 -0.007,638 0.038,639 -0.009,640 0.019,641 0.005,642 0.051,643 -0.215,644 0.071,645 -0.157,646 0.078,647 -0.056,648 -0.299,649 0.078,650 -0.354,651 0.01,652 -0.257,653 -0.162,654 -0.032,655 -0.316,656 -0.278,657 -0.409,658 0.04,659 -0.38,660 -0.159,661 0.052,662 -0.082,663 0.083,664 -0.324,665 0.016,666 1.948,667 3.899,668 0.4,669 8.702,670 0.993,671 1.135,672 -1.025,673 1.051,674 0.618,675 2.773,676 3.135,677 3.178,678 3.296,679 3.497,680 3.434,681 3.178,682 2.398,683 2.197,685 3.884,686 0.574,687 208.31,688 2.773,689 4.317,690 5.106,691 5.989,692 6.815,693 7.694,694 8.533,695 9.409,696 10.256,697 11.129,698 3,712 1,715 3,720 3,722 6,741 33,743 7,744 1,745 15,747 33,748 12,749 6,750 3,751 3,756 1,757 1,763 2,772 7,773 5,777 1,782 1,786 1,790 1,793 18,794 2,796 3,802 1,803 1,807 1,808 1,809 2,829 1,846 1,859 1,864 5,868 15,878 1,883 1,893 6.1,896 1,898 1,901 9.583,902 7.583,903 3.194,904 1.944,907 1.329,908 1.25,909 0.865,910 3.275,911 6.652,912 2.996,913 3.57,914 3.937,915 4.411,916 4.925,917 4.984,918 4.943,919 4.437,920 4.239,922 0.75,923 20,924 5.513,925 -0.001,926 2.139,927 0.026,929 7.811,931 10.484,933 7.872,934 -0.001,936 2.311,937 34.667,938 0.004,941 211.88,942 89.645,945 36.145,948 89.645,949 248.025,951 42.84,953 28.429,954 32.336,955 22.186,957 211.88,959 211.88,960 89.645,961 36.145,964 211.88,965 36.145,968 17.65,969 71.995,972 211.88,973 36.145,974 89.645,977 211.88,978 18.377,979 71.268,981 36.145,982 211.88,983 36.145,984 89.645,986 0.604,987 0.299,988 0.136,989 0.087,990 10,991 6,992 0.091,993 3,995 1,996 2.505,997 90.893,999 6,1000 53.848,1005 11.891,1006 4.131,1007 3.151,1009 36.145,1010 5.927,1015 2.729,1018 337.67,1019 19,1024 10.899,1028 -0.281,1031 32.767,1032 37.446,1034 0.279,1035 0.55,1036 0.678,1037 0.743,1038 0.743,1039 0.743,1040 4.256,1041 -1,1042 5.209,1043 -1.203,1044 3.807,1045 4.248,1046 2.562,1047 6.071,1048 3.707,1049 5.522,1050 -1,1051 6.832,1052 -2,1053 3.892,1054 4.35,1055 2.394,1056 7.424,1057 3.7,1058 6.87,1059 -1,1060 8.572,1061 -2.978,1062 5.549,1063 6.404,1064 3.886,1065 10.336,1066 5.311,1067 8.247,1068 -1,1069 10.379,1070 -3,1071 6.312,1072 7.144,1073 4.303,1074 12.404,1075 5.965,1076 9.648,1077 -1.249,1078 12.228,1079 -3,1080 7.637,1081 8.845,1082 5.499,1083 14.988,1084 7.239,1085 11.066,1086 -1.747,1087 14.104,1088 -3.327,1089 8.655,1090 9.874,1091 6.166,1092 17.301,1093 8.152,1094 12.498,1095 -1.889,1096 16,1097 -5.379,1098 9.88,1099 11.424,1100 7.211,1101 19.791,1102 9.315,1103 3.328,1104 -2,1105 17.911,1106 -6.181,1107 10.999,1108 12.604,1109 7.994,1110 22.193,1111 10.337,1112 2.778,1113 11.704,1114 19.832,1115 -6.995,1116 12.194,1117 14.076,1118 8.964,1119 24.656,1120 11.462,1121 2.103,1122 8.68,1123 21.761,1124 3.995,1125 13.354,1126 15.34,1127 9.802,1128 27.092,1129 12.531,1130 1.573,1131 5.157,1132 23.696,1133 3.349,1134 14.543,1135 16.772,1136 10.734,1137 29.549,1138 13.645,1139 1.377,1140 4.613,1141 25.636,1142 2.662,1143 15.722,1144 18.084,1145 11.6,1146 31.998,1147 14.737,1148 0.178,1149 3.491,1150 27.58,1151 2.024,1152 16.912,1153 19.493,1154 12.512,1155 34.455,1156 15.849,1157 -0.453,1158 0.419,1159 29.527,1160 1.913,1161 18.099,1162 20.834,1163 13.391,1164 36.91,1165 16.953,1166 1437,1167 2312,1168 8.553,1169 20.387,1170 23.195,1171 23.462,1172 23.598,1173 22.724,1174 22.674,1175 28.313,1176 7.858,1177 68.126,1178 21.625,1179 5.228,1180 5.69,1181 6.412,1182 5.25,1183 5.328,1184 6.995,1185 4.174,1186 18.699,1187 5.077,1188 10.483,1189 1.546,1190 1.564,1191 1.573,1192 1.515,1193 1.512,1194 1.888,1195 0.524,1196 4.542,1197 1.442,1198 3.999,1199 4.04,1200 3.938,1201 3.892,1202 7.434,1203 3.898,1204 3.65,1205 3.716,1206 3.532,1207 3.426,1208 4.815,1209 3.438,1210 3.478,1211 3.511,1212 3.366,1213 3.243,1214 4.363,1215 3.265,1216 3.084,1217 3.178,1218 2.852,1219 2.918,1220 4.141,1221 2.89,1222 2.874,1223 3.009,1224 2.713,1225 2.714,1226 3.767,1227 2.705,1228 2.874,1229 3.009,1230 2.499,1231 2.618,1232 3.656,1233 2.57,1234 2.861,1235 2.916,1236 2.499,1237 2.618,1238 3.467,1239 2.57,1240 2.533,1241 2.597,1242 2.272,1243 2.239,1244 3.467,1245 2.233,1246 0.299,1247 0.246,1248 0.475,1249 0.283,1250 0.222,1251 4.483,1252 0.266,1253 3.69,1254 0.163,1255 7.119,1256 0.78,1257 4.25,1258 0.205,1259 3.328,1260 3.995,1261 2.443,1262 11.704,1263 3.077,1264 1.948,1265 1.917,1266 2.072,1267 2.095,1268 1.249,1269 2.091,1270 1.604,1271 1.526,1272 1.854,1273 1.837,1274 0.984,1275 1.843,1276 1.402,1277 1.359,1278 1.684,1279 1.662,1280 0.693,1281 1.664,1282 1.122,1283 1.033,1284 1.483,1285 1.346,1286 0.552,1287 1.399,1288 0.934,1289 0.804,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.934,1295 0.804,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.854,1301 0.801,1302 1.117,1303 1.066,1304 0.17,1305 1.081,1306 0.462,1307 0.395,1308 0.746,1309 0.811,1311 0.793,1312 3.434,1314 4.779,1316 6.293,1318 7.887,1320 9.524,1322 9.558,1330 5.132,1335 0.703,1340 18.929,1341 46.387,1342 91.597,1343 112.916,1344 123.671,1345 123.671,1346 123.671,1347 25.66,1348 5.323,1349 26.3,1350 26.3,1351 6,1352 11.675,1353 3,1354 2.322,1355 30.951,1356 35,1357 29,1358 0.478,1359 123.026,1360 212.24,1361 291.944,1362 885,1364 11.638,1365 0.776,1366 0.67,1367 11.638,1368 10.049,1369 6.804,1370 0.454,1371 0.34,1372 5,1373 6.455,1374 4.647,1375 4.024,1376 6.804,1377 5.1,1378 7.243,1379 0.329,1380 0.219,1381 7.243,1382 4.824,1383 4.361,1384 0.19,1385 0.1,1386 4.361,1387 2.308,1388 3.136,1389 0.121,1390 0.051,1391 3.136,1392 1.331,1393 2.567,1394 0.08,1395 0.029,1396 2.567,1397 0.915,1398 0.704,1399 43.109,1400 0.342,1401 14.887,1402 1.443,1403 74,1404 209.804,1405 82.641,1406 199.419,1407 265.13,1408 184,1409 82,1410 193.881,1411 90.314,1412 196.792,1413 277.91,1414 181,1415 6.181}
{0 CHEMBL139353,1 1.451,2 12.444,3 2.777,4 7.711,5 107.475,6 6.99,7 0.4,8 4.036,9 4.164,10 3.554,11 3.598,12 5.073,13 3.561,14 4.61,15 4.792,16 3.92,17 4.028,18 5.586,19 3.961,20 4.922,21 5.145,22 3.978,23 4.184,24 5.876,25 4.079,26 5.035,27 5.299,28 3.837,29 4.115,30 6.036,31 3.975,32 4.899,33 5.172,34 3.713,35 3.985,36 5.838,37 3.852,38 4.777,39 5.02,40 3.648,41 3.959,42 5.731,43 3.825,44 4.766,45 5.011,46 3.53,47 3.897,48 5.716,49 3.749,50 4.622,51 4.883,52 3.363,53 3.727,54 5.546,55 3.571,56 0.037,57 0.758,58 11.374,59 4.858,60 7.82,61 6.668,62 0.228,63 1.27,64 21.543,65 8.316,66 17.358,67 11.795,68 0.178,69 1.595,70 30.563,71 11.703,72 30.134,73 16.578,74 0.435,75 1.643,76 36.255,77 12.58,78 83.97,79 18.127,80 0.423,81 1.44,82 31.931,83 10.803,84 67.393,85 15.594,86 0.339,87 1.308,88 27.381,89 10.025,90 52.138,91 14.111,92 0.292,93 1.235,94 27.412,95 10.132,96 57.68,97 14.004,98 0.373,99 1.079,100 24.022,101 8.401,102 52.318,103 12.005,104 10,105 42,106 0.243,107 0.554,108 0.701,109 0.798,110 0.831,111 0.838,112 3.339,113 0.964,114 -4.27,115 -4.21,116 -3.97,121 42.3,123 3,124 1,127 4,144 8,145 3,146 1,160 2,165 1,166 1,167 1,176 13,179 2,180 8,185 2,187 13,189 2,192 10,197 2,200 5,203 2,205 1,206 11,211 1,214 4,216 1,219 4,221 2,222 2,227 9,231 1,232 4,234 1,235 1,239 14,249 1,251 11,253 1,255 2,256 3,261 1,264 5,266 1,269 4,274 2,277 1,279 2,281 1083,282 18.361,283 18.361,284 18.361,285 18.361,286 18.361,287 16.699,288 21.564,289 10.826,290 18.551,291 14.795,292 14.795,293 14.795,294 14.795,295 14.795,296 12.232,297 23.385,298 5.177,299 15.07,300 4.249,301 2.387,302 1.51,303 0.928,304 0.731,305 0.692,306 4.038,310 1,311 1,312 1,313 738,314 2.739,317 61.998,318 264.873,321 119.679,325 1.951,326 27.626,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 57.5,338 336,339 4.601,340 3.954,341 6.97,342 4.301,343 3.312,344 4.186,345 1.349,346 11.718,347 3.273,348 3.941,349 3.257,350 5.729,351 3.69,352 2.726,353 3.457,354 0.916,355 7.797,356 2.634,357 3.77,358 3.018,359 5.614,360 3.484,361 2.493,362 3.142,363 0.8,364 7.503,365 2.475,366 3.6,367 2.628,368 5.503,369 3.374,370 2.398,371 2.665,372 0.172,373 6.908,374 2.333,375 3.445,376 2.557,377 5.324,378 3.08,379 2.092,380 2.634,382 6.513,383 2.096,384 3.224,385 2.257,386 4.955,387 3.031,388 2.031,389 2.351,391 5.863,392 1.978,393 3.112,394 2.035,395 4.912,396 2.83,397 1.861,398 2.207,400 5.504,401 1.794,402 2.822,403 1.793,404 3.709,405 2.416,406 1.421,407 1.919,409 3.045,410 1.413,411 2.518,412 1.514,413 3.602,414 2.007,415 1,416 1.5,418 2.43,419 1,420 2.5,421 1.271,422 3.511,423 2,424 1,425 1.454,427 2.275,428 1,429 2.14,430 1.077,431 3.414,432 1.984,433 0.987,434 1,436 2.136,437 0.983,438 2,439 1,440 3.247,441 1.875,442 0.864,443 0.994,445 2.101,446 0.868,447 1.436,448 0.669,449 2.927,450 1.207,451 0.205,452 0.234,454 0.511,455 0.203,456 1.178,457 0.273,458 2.683,459 0.884,460 -0.12,461 -0.142,463 -0.298,464 -0.12,465 1.118,466 0.193,467 2.531,468 0.76,469 -0.252,470 -0.331,472 -0.589,473 -0.252,474 12.867,475 0.477,476 0.644,477 0.024,478 32.75,479 1.213,480 15.5,481 0.574,482 17.25,483 0.639,484 23.273,485 0.862,486 29.133,487 0.56,488 23.239,489 0.861,490 6.249,491 0.231,492 6.866,493 0.254,494 0.083,496 0.334,501 0.703,502 1.278,503 0.839,504 1.065,505 0.582,506 0.976,507 0.686,508 1.096,509 0.935,510 1.011,511 0.497,512 0.995,513 0.822,514 1.175,515 0.985,516 1.166,517 0.719,518 1.102,519 1.02,520 1.043,521 0.985,522 1.021,523 0.963,524 1.003,525 1.118,526 0.832,527 0.953,528 0.846,529 1.076,530 0.874,531 1.049,532 0.901,533 1.098,534 1.023,535 1.036,536 1.06,537 1.329,538 1.025,539 1.145,540 1.086,541 1.56,542 1.107,543 1.126,544 0.913,545 1.095,546 0.949,547 1.321,548 1.018,549 5,550 0.12,551 2.889,552 2.361,553 1.267,554 0.747,555 0.53,556 0.311,557 0.175,558 0.151,559 10191,560 23803,561 2.12,562 48.1,563 1,564 16,567 2,569 6,572 1.694,573 2,574 3.562,575 0.194,576 1,577 1,582 75.464,583 1.451,584 3.314,585 4.19,586 4.772,587 4.97,588 5.008,589 3.056,590 4.385,591 4.726,592 3.752,593 1317.04,594 8.167,595 17541.8,597 1,599 1,600 296.423,601 1.352,602 4.694,603 0.167,604 0.007,605 0.069,606 0.056,607 0.037,608 0.024,609 0.018,610 0.012,611 0.008,612 0.008,613 0.407,614 0.17,615 1,616 0.528,617 136.355,618 -0.032,619 -0.078,620 0.049,621 0.01,622 -0.029,623 0.035,624 0.089,625 0.042,626 -0.008,627 0.007,628 0.056,629 -0.008,630 -0.002,631 -0.154,632 -0.036,633 -0.16,634 0.045,635 -0.107,636 0.058,637 -0.11,638 0.018,639 -0.059,640 0.122,641 -0.03,642 -0.006,643 0.111,644 0.06,645 0.101,646 0.004,647 0.09,648 -0.027,649 0.077,650 -0.116,651 -0.041,652 -0.028,653 -0.082,654 -0.147,655 -0.11,656 -0.149,657 -0.093,658 -0.196,659 -0.121,660 -0.002,661 0.02,662 -0.091,663 0.016,664 -0.142,665 -0.046,666 1.871,667 5.529,668 0.778,669 27.004,670 0.994,671 1.125,672 3.037,673 9.223,674 0.66,675 3.434,676 3.761,677 4.043,678 4.304,679 4.522,680 4.511,681 4.595,682 4.691,683 4.7,684 4.718,685 7.219,686 0.621,687 363.5,688 3.434,689 4.977,690 5.832,691 6.711,692 7.583,693 8.469,694 9.35,695 10.24,696 11.127,697 12.021,698 5.8,701 1,702 1,705 1,715 8,720 4,722 12,733 1,741 52,743 14,744 2,745 30,747 55,748 22,749 12,750 4,751 8,752 2,756 4,757 5,767 2,768 1,770 3,772 14,773 8,774 1,777 2,782 2,786 2,790 1,793 25,794 5,795 2,796 5,802 3,805 1,808 0.75,809 2,828 1,829 3,832 1,855 1,859 3,868 27,869 1,876 7,880 1,881 2,893 3.8,896 2,901 13.5,902 9.067,903 5.889,904 3.285,907 2.158,908 1.285,909 0.998,910 5.172,911 9.74,912 3.664,913 4.19,914 4.71,915 5.207,916 5.671,917 5.693,918 5.88,919 6.007,920 6.072,921 5.915,922 1,923 42,924 10.077,926 4.397,927 0.026,929 7.716,931 19.556,933 16.718,936 2.216,937 59.833,940 1,941 270.735,942 113.559,943 39.146,945 50.29,948 113.559,949 321.025,950 39.146,952 19.151,953 108.707,954 59.699,955 15.438,957 270.735,959 270.735,960 152.705,961 50.29,964 200.109,965 120.916,968 22.275,969 130.43,972 270.735,973 89.436,974 113.559,977 270.735,978 37.749,979 82.059,981 83.187,982 270.735,983 89.436,984 113.559,986 0.583,987 0.343,988 0.186,989 0.104,990 21,991 9,992 0.091,993 5,994 1,995 1.095,996 4.018,997 227.067,998 0.095,999 21,1000 120.382,1005 18.058,1006 7.733,1007 3.861,1009 89.436,1010 15.488,1015 2.786,1017 32.897,1018 473.73,1019 38,1024 25.031,1028 -0.389,1031 51.68,1032 58.481,1034 0.255,1035 0.581,1036 0.735,1037 0.837,1038 0.872,1039 0.879,1040 4.913,1041 1.421,1042 5.814,1043 5.504,1044 4.443,1045 4.875,1046 1.988,1047 6.624,1048 4.41,1049 6.086,1050 1,1051 7.372,1052 3.045,1053 4.007,1054 4.575,1055 0.57,1056 7.519,1057 3.953,1058 7.374,1059 1,1060 9.031,1061 2.43,1062 6.033,1063 6.938,1064 2.147,1065 10.648,1066 5.964,1067 8.694,1068 0.987,1069 10.751,1070 2.275,1071 6.431,1072 7.461,1073 1.104,1074 12.436,1075 6.347,1076 10.05,1077 0.864,1078 12.513,1079 2.136,1080 7.926,1081 9.32,1082 2.46,1083 15.107,1084 7.825,1085 11.433,1086 0.205,1087 14.305,1088 2.101,1089 8.731,1090 10.255,1091 1.71,1092 17.297,1093 8.621,1094 12.838,1095 -0.12,1096 16.121,1097 0.511,1098 10.017,1099 11.895,1100 2.87,1101 19.824,1102 9.893,1103 3.312,1104 -0.252,1105 17.958,1106 -0.298,1107 11.025,1108 13.053,1109 2.357,1110 22.182,1111 10.892,1112 2.726,1113 11.718,1114 19.812,1115 -0.589,1116 12.235,1117 14.587,1118 3.342,1119 24.664,1120 12.09,1121 2.493,1122 7.797,1123 21.681,1124 4.186,1125 13.34,1126 15.867,1127 3.014,1128 27.087,1129 13.187,1130 2.398,1131 7.503,1132 23.562,1133 3.457,1134 14.527,1135 17.348,1136 3.854,1137 29.554,1138 14.364,1139 2.092,1140 6.908,1141 25.454,1142 3.142,1143 15.678,1144 18.695,1145 3.667,1146 32.001,1147 15.506,1148 2.031,1149 6.513,1150 27.355,1151 2.665,1152 16.862,1153 20.149,1154 4.391,1155 34.464,1156 16.68,1157 1.861,1158 5.863,1159 29.263,1160 2.634,1161 18.035,1162 21.534,1163 4.311,1164 36.92,1165 17.843,1166 9533,1167 14724,1168 20.285,1169 34.302,1170 45.284,1171 46.885,1172 46.032,1173 44.817,1174 44.779,1175 55.485,1176 6.475,1177 128.605,1178 44.101,1179 5.601,1180 5.954,1181 6.772,1182 5.337,1183 5.312,1184 7.186,1185 2.549,1186 18.889,1187 5.273,1188 11.574,1189 1.509,1190 1.563,1191 1.534,1192 1.494,1193 1.493,1194 1.849,1195 0.216,1196 4.287,1197 1.47,1198 4.04,1199 4.068,1200 4.002,1201 3.941,1202 7.447,1203 3.951,1204 3.943,1205 3.983,1206 3.862,1207 3.862,1208 7.408,1209 3.857,1210 3.819,1211 3.866,1212 3.704,1213 3.718,1214 5.101,1215 3.707,1216 3.541,1217 3.604,1218 3.454,1219 3.343,1220 4.756,1221 3.36,1222 3.317,1223 3.38,1224 3.192,1225 3.129,1226 4.43,1227 3.139,1228 3.111,1229 3.206,1230 2.983,1231 2.941,1232 4.319,1233 2.915,1234 3.084,1235 3.163,1236 2.9,1237 2.929,1238 3.968,1239 2.91,1240 3.028,1241 3.055,1242 2.866,1243 2.854,1244 3.731,1245 2.868,1246 0.153,1247 0.132,1248 0.232,1249 0.143,1250 0.11,1251 4.601,1252 0.14,1253 3.954,1254 0.045,1255 6.97,1256 0.391,1257 4.301,1258 0.109,1259 3.312,1260 4.186,1261 1.349,1262 11.718,1263 3.273,1264 1.934,1265 1.896,1266 2.1,1267 2.068,1268 1.482,1269 2.082,1270 1.89,1271 1.872,1272 2.013,1273 1.976,1274 1.165,1275 1.977,1276 1.84,1277 1.79,1278 1.975,1279 1.956,1280 1.086,1281 1.977,1282 1.52,1283 1.462,1284 1.737,1285 1.768,1286 1.011,1287 1.753,1288 1.245,1289 1.193,1290 1.513,1291 1.479,1292 0.825,1293 1.472,1294 1.153,1295 1.064,1296 1.465,1297 1.376,1298 0.691,1299 1.429,1300 1.08,1301 1.042,1302 1.297,1303 1.355,1304 0.439,1305 1.334,1306 1.049,1307 0.995,1308 1.236,1309 1.265,1310 0.263,1311 1.278,1312 4.111,1314 5.434,1315 2.398,1316 6.952,1317 4.949,1318 8.554,1319 7.195,1320 10.202,1326 5.756,1328 6.728,1332 0.561,1333 3.872,1340 32.289,1341 75.464,1342 172.31,1343 217.894,1344 248.158,1345 258.423,1346 260.423,1347 52.015,1348 7.582,1349 68.33,1350 68.33,1351 23,1352 12.549,1353 3.907,1354 3.17,1355 40.58,1356 119,1357 113,1358 0.167,1359 197.185,1360 347.38,1361 472.89,1362 21976,1364 18.803,1365 0.696,1366 0.572,1367 18.803,1368 15.434,1369 13.114,1370 0.437,1371 0.321,1372 9.541,1373 12.754,1374 9.345,1375 7.71,1376 13.114,1377 9.636,1378 11.832,1379 0.282,1380 0.18,1381 11.832,1382 7.561,1383 10.185,1384 0.182,1385 0.102,1386 10.185,1387 5.712,1388 8.424,1389 0.115,1390 0.056,1391 8.424,1392 4.098,1393 6.891,1394 0.076,1395 0.033,1396 6.891,1397 3.025,1398 0.269,1399 81.278,1400 0.222,1401 26.442,1402 0.435,1403 144,1404 368.074,1405 154.285,1406 360.38,1407 490.48,1408 336,1409 170,1410 356.752,1411 181.312,1412 364.554,1413 535.79,1414 343,1415 8.056}
{0 CHEMBL139571,1 1.479,2 13.75,3 3.094,4 9.573,5 135.269,6 6.685,7 0.15,8 4.382,9 4.514,10 3.858,11 3.892,12 5.36,13 3.853,14 5.003,15 5.203,16 4.267,17 4.337,18 5.924,19 4.268,20 5.329,21 5.558,22 4.386,23 4.508,24 6.291,25 4.424,26 5.419,27 5.645,28 4.433,29 4.501,30 6.577,31 4.435,32 5.423,33 5.648,34 4.361,35 4.491,36 6.596,37 4.412,38 5.368,39 5.603,40 4.295,41 4.515,42 6.378,43 4.406,44 5.419,45 5.672,46 4.218,47 4.506,48 6.388,49 4.369,50 5.401,51 5.692,52 4.083,53 4.348,54 6.356,55 4.204,56 0.027,57 1.095,58 17.304,59 7.097,60 10.104,61 10.09,62 0.443,63 1.834,64 33.833,65 12.12,66 39.381,67 17.978,68 0.485,69 2.292,70 48.002,71 15.704,72 65.894,73 23.385,74 0.785,75 2.319,76 53.976,77 15.845,78 143.349,79 23.489,80 1.164,81 2.272,82 54.97,83 15.899,84 178.37,85 23.148,86 0.663,87 2.27,88 50.366,89 16.861,90 123.117,91 24.588,92 0.671,93 2.343,94 53.111,95 17.181,96 121.8,97 25.872,98 0.755,99 2.097,100 53.342,101 15.877,102 104.757,103 24.327,104 83,105 61,106 0.231,107 0.496,108 0.715,109 0.808,110 0.839,111 0.839,112 3.616,113 1.01,114 -3.98,115 -3.94,116 -3.73,121 37.8,122 5,123 3,124 5,127 2,129 3,144 4,145 1,146 1,160 3,161 1,176 14,179 4,180 9,183 2,185 2,187 13,191 3,192 9,197 2,200 10,205 2,206 18,211 3,214 7,218 4,219 11,222 2,224 1,227 7,231 2,232 8,237 2,239 13,243 2,244 13,249 2,251 7,255 2,256 14,259 1,261 1,264 3,268 1,269 7,272 1,277 9,281 2466,282 23.673,283 23.673,284 23.673,285 23.673,286 23.673,287 22.527,288 34.68,289 13.123,290 23.945,291 19.57,292 19.57,293 19.57,294 19.57,295 19.57,296 17.549,297 43.995,298 6.079,299 19.98,300 4.73,301 3.032,302 1.627,303 1.028,304 0.835,305 0.835,306 4.304,312 1,313 1078,314 4.416,315 62.339,317 274.246,318 121.743,320 138.306,325 2.208,326 51.977,329 1,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.98,337 78,338 495,339 4.573,340 4.113,341 7.282,342 4.474,343 3.496,344 3.71,345 2.049,346 12.902,347 3.427,348 4.35,349 3.933,350 7.041,351 4.283,352 3.297,353 3.694,354 1.993,355 11.93,356 3.239,357 4.206,358 3.681,359 6.713,360 4.054,361 3.091,362 3.451,363 1.798,364 10.785,365 2.971,366 4.097,367 3.595,368 6.269,369 3.784,370 2.79,371 3.289,372 1.695,373 9.148,374 2.774,375 3.83,376 2.994,377 5.931,378 3.596,379 2.634,380 3.028,381 0.664,382 8.236,383 2.524,384 3.578,385 2.954,386 5.742,387 3.342,388 2.371,389 2.779,390 0.485,391 7.381,392 2.297,393 3.374,394 2.904,395 5.552,396 3.166,397 2.165,398 2.452,399 0.314,400 6.839,401 2.157,402 3.288,403 2.551,404 5.311,405 3.038,406 2.031,407 2.351,408 0.08,409 6.377,410 2.032,411 2.897,412 2.392,413 4.973,414 2.681,415 1.681,416 1.886,418 4.981,419 1.67,420 2.645,421 2.123,422 4.707,423 2.408,424 1.386,425 1.59,427 4.014,428 1.403,429 2.5,430 1.767,431 4.032,432 2.236,433 1.242,434 1.5,436 3.086,437 1.233,438 2.451,439 1.314,440 3.763,441 2.129,442 1.147,443 1.44,445 2.844,446 1.12,447 2.265,448 1.277,449 3.729,450 2,451 1,452 1.206,454 2.275,455 1,456 1.898,457 1.117,458 3.618,459 1.761,460 0.776,461 0.827,463 1.966,464 0.759,465 1.846,466 1.001,467 3.451,468 1.729,469 0.752,470 0.78,472 1.928,473 0.73,474 16.933,475 0.47,476 1.232,477 0.034,478 36.25,479 1.007,480 12.5,481 0.347,482 23.75,483 0.66,484 45.132,485 1.254,486 41.267,487 0.558,488 30.426,489 0.845,490 5.939,491 0.165,492 11.173,493 0.31,494 0.226,496 0.484,501 0.627,502 1.527,503 0.862,504 1.258,505 0.509,506 1.115,507 0.504,508 1.192,509 0.848,510 1.064,511 0.47,512 1.011,513 0.956,514 1.149,515 0.977,516 1.097,517 0.88,518 1.038,519 1.465,520 1.114,521 1.05,522 1.016,523 1.504,524 0.972,525 1.666,526 0.892,527 1.189,528 0.888,529 1.773,530 0.957,531 1.105,532 1.071,533 1.056,534 1.048,535 1.089,536 1.048,537 0.954,538 1.153,539 1.095,540 1.138,541 0.889,542 1.134,543 1.047,544 0.876,545 0.922,546 0.883,547 1.044,548 0.878,549 7,550 0.338,551 6.389,552 3.792,553 2.707,554 1.706,555 1.066,556 0.782,557 0.525,558 0.37,559 19600,560 41917,561 2.037,562 51.4,563 18,564 11,567 1,568 2,569 4,570 2,572 1.774,573 1.831,574 3.716,575 -0.383,582 109.472,583 1.479,584 3.178,585 4.583,586 5.182,587 5.375,588 5.375,589 3.24,590 4.67,591 5.136,592 3.904,593 2459.81,594 9.034,595 38618.5,600 459.5,601 1.524,602 5.062,603 0.175,604 0.009,605 0.11,606 0.061,607 0.043,608 0.029,609 0.019,610 0.016,611 0.013,612 0.009,613 0.484,614 0.33,615 0.75,616 0.787,617 196.11,618 -0.007,619 -0.205,620 0.065,621 -0.05,622 -0.013,623 0.006,624 0.225,625 0.001,626 0.108,627 0.015,628 0.07,629 0.033,630 0.003,631 -0.059,632 0.01,633 -0.089,634 -0.025,635 -0.043,636 -0.066,637 -0.088,638 -0.004,639 -0.054,640 -0.048,641 -0.022,642 -0.093,643 0.119,644 -0.121,645 0.056,646 -0.097,647 -0.025,648 -0.049,649 -0.047,650 -0.063,651 -0.036,652 -0.003,653 -0.051,654 -0.008,655 -0.142,656 -0.113,657 -0.152,658 0.015,659 -0.148,660 0.012,661 0.039,662 0.083,663 0.03,664 -0.015,665 0.065,666 1.942,667 6.746,668 0.611,669 43.306,670 0.996,671 1.134,672 2.755,673 7.587,674 0.632,675 3.714,676 4.127,677 4.466,678 4.745,679 4.913,680 5.088,681 5.247,682 5.366,683 5.468,684 5.549,685 7.918,686 0.593,687 494.7,688 3.714,689 5.313,690 6.221,691 7.149,692 8.072,693 9.006,694 9.937,695 10.874,696 11.811,697 12.752,698 5.4,705 4,715 4,720 2,722 6,741 74,743 10,744 1,745 40,747 78,748 28,749 6,750 2,751 4,756 5,757 6,761 1,763 5,767 6,768 4,770 6,772 10,773 18,774 5,777 4,782 4,786 4,793 38,794 8,795 1,796 8,802 4,805 1,808 0.8,809 4,825 2,826 1,828 3,829 1,831 1,844 1,859 4,864 5,868 36,876 5,877 1,880 8,881 3,893 5.4,896 4,901 19.667,902 14.517,903 7.694,904 5.086,907 1.064,908 1.125,909 0.937,910 6.76,911 9.562,912 3.871,913 4.376,914 4.822,915 5.222,916 5.531,917 5.657,918 5.843,919 5.973,920 6.025,921 6.187,922 1,923 62,924 13.661,926 6.241,927 0.026,929 7.796,931 26.288,933 23.434,936 2.296,937 82.667,941 435.531,942 118.178,943 27.384,945 100.58,948 118.178,949 536.11,950 27.384,951 44.126,952 39.199,953 37.905,954 114.694,955 5.942,956 4.276,957 435.531,959 435.531,960 145.562,961 100.58,964 364.904,965 171.206,968 83.325,969 62.237,972 435.531,973 127.963,974 118.178,977 435.531,978 36.147,979 91.404,980 18.011,981 100.58,982 435.531,983 127.963,984 118.178,986 0.607,987 0.375,988 0.194,989 0.094,990 32,991 17,992 0.051,993 4,994 1,995 1.091,996 4.477,997 363.875,998 0.091,999 22,1000 174.117,1005 25.417,1006 9.574,1007 4.425,1009 127.963,1010 7.798,1015 1.903,1017 18.011,1018 681.672,1019 47,1024 53.178,1028 -0.612,1031 73.738,1032 83.889,1034 0.238,1035 0.512,1036 0.738,1037 0.835,1038 0.866,1039 0.866,1040 5.207,1041 2.031,1042 6.263,1043 6.839,1044 4.812,1045 5.063,1046 3.261,1047 7.191,1048 4.773,1049 6.406,1050 1.681,1051 7.909,1052 6.377,1053 4.691,1054 4.997,1055 2.785,1056 8.403,1057 4.635,1058 7.736,1059 1.386,1060 9.656,1061 4.981,1062 6.561,1063 7.047,1064 4.245,1065 11.53,1066 6.471,1067 9.096,1068 1.242,1069 11.462,1070 4.014,1071 7.245,1072 7.735,1073 4.371,1074 13.541,1075 7.139,1076 10.487,1077 1.147,1078 13.304,1079 3.086,1080 8.645,1081 9.329,1082 5.422,1083 16.24,1084 8.508,1085 11.899,1086 1,1087 15.171,1088 2.844,1089 9.643,1090 10.313,1091 5.814,1092 18.554,1093 9.49,1094 13.324,1095 0.776,1096 17.057,1097 2.275,1098 10.901,1099 11.752,1100 6.684,1101 21.128,1102 10.722,1103 3.496,1104 0.752,1105 18.957,1106 1.966,1107 12.025,1108 12.867,1109 7.213,1110 23.565,1111 11.829,1112 3.297,1113 12.902,1114 20.867,1115 1.928,1116 13.244,1117 14.242,1118 7.995,1119 26.102,1120 13.025,1121 3.091,1122 11.93,1123 22.787,1124 3.71,1125 14.42,1126 15.424,1127 8.599,1128 28.59,1129 14.183,1130 2.79,1131 10.785,1132 24.714,1133 3.694,1134 15.632,1135 16.769,1136 9.337,1137 31.119,1138 15.375,1139 2.634,1140 9.148,1141 26.647,1142 3.451,1143 16.832,1144 17.991,1145 9.983,1146 33.631,1147 16.556,1148 2.371,1149 8.236,1150 28.585,1151 3.289,1152 18.047,1153 19.319,1154 10.7,1155 36.161,1156 17.751,1157 2.165,1158 7.381,1159 30.528,1160 3.028,1161 19.259,1162 20.566,1163 11.37,1164 38.685,1165 18.945,1166 18586,1167 27354,1168 25.608,1169 46.785,1170 62.615,1171 65.984,1172 66.502,1173 61.949,1174 61.925,1175 70.321,1176 18.156,1177 194.825,1178 60.89,1179 5.573,1180 6.113,1181 6.756,1182 5.539,1183 5.496,1184 6.71,1185 3.529,1186 20.902,1187 5.427,1188 24.388,1189 1.565,1190 1.65,1191 1.663,1192 1.549,1193 1.548,1194 1.758,1195 0.454,1196 4.871,1197 1.522,1198 4.081,1199 4.123,1200 4.013,1201 3.95,1202 7.444,1203 3.956,1204 3.962,1205 4,1206 3.895,1207 3.881,1208 7.431,1209 3.878,1210 3.924,1211 3.966,1212 3.836,1213 3.809,1214 7.423,1215 3.811,1216 3.833,1217 3.885,1218 3.738,1219 3.679,1220 7.411,1221 3.685,1222 3.531,1223 3.599,1224 3.407,1225 3.385,1226 4.754,1227 3.373,1228 3.464,1229 3.521,1230 3.342,1231 3.278,1232 4.396,1233 3.279,1234 3.261,1235 3.312,1236 3.149,1237 3.014,1238 4.318,1239 3.042,1240 3.24,1241 3.293,1242 3.112,1243 2.972,1244 4.233,1245 3.012,1246 0.114,1247 0.103,1248 0.182,1249 0.112,1250 0.087,1251 4.573,1252 0.093,1253 4.113,1254 0.051,1255 7.282,1256 0.323,1257 4.474,1258 0.086,1259 3.496,1260 3.71,1261 2.049,1262 12.902,1263 3.427,1264 1.939,1265 1.91,1266 2.069,1267 2.036,1268 1.269,1269 2.046,1270 1.708,1271 1.664,1272 1.889,1273 1.911,1274 1.252,1275 1.897,1276 1.625,1277 1.576,1278 1.851,1279 1.828,1280 1.223,1281 1.815,1282 1.592,1283 1.546,1284 1.821,1285 1.792,1286 1.133,1287 1.796,1288 1.568,1289 1.503,1290 1.801,1291 1.76,1292 1.044,1293 1.789,1294 1.497,1295 1.432,1296 1.796,1297 1.692,1298 0.991,1299 1.722,1300 1.492,1301 1.42,1302 1.709,1303 1.678,1304 0.947,1305 1.716,1306 1.407,1307 1.347,1308 1.67,1309 1.615,1310 0.902,1311 1.634,1312 4.394,1313 1.946,1314 5.784,1315 4.511,1316 7.358,1317 6.683,1318 9.02,1319 8.718,1320 10.734,1322 10.184,1328 2.997,1329 2.946,1332 -0.622,1333 4.894,1340 43.9,1341 109.472,1342 235.16,1343 339.122,1344 383.46,1345 397.725,1346 397.725,1347 107.026,1348 8.498,1349 90.03,1350 90.03,1351 24,1352 13.248,1353 3.459,1354 3,1355 54.561,1356 169,1357 191,1358 0.157,1359 265.059,1360 480.94,1361 638.505,1362 65644,1364 25.886,1365 0.719,1366 0.609,1367 25.886,1368 21.938,1369 17.112,1370 0.428,1371 0.337,1372 13.315,1373 16.523,1374 12.873,1375 10.642,1376 17.112,1377 13.464,1378 16.288,1379 0.267,1380 0.189,1381 16.288,1382 11.516,1383 14.53,1384 0.169,1385 0.104,1386 14.53,1387 8.953,1388 12.004,1389 0.105,1390 0.056,1391 12.004,1392 6.342,1393 8.687,1394 0.064,1395 0.029,1396 8.687,1397 3.934,1398 0.248,1399 106.964,1400 0.198,1401 32.872,1402 0.426,1403 202,1404 524.21,1405 221.653,1406 498.746,1407 676.9,1408 464,1409 251,1410 498.01,1411 272.404,1412 497.969,1413 745.32,1414 471,1415 4}
{0 CHEMBL139684,1 1.301,2 4.25,3 -0.163,4 0.026,5 39.979,6 7.875,8 3.133,9 3.308,10 2.746,11 2.561,12 3.869,13 2.422,14 3.755,15 4.046,16 2.933,17 2.949,18 4.339,19 2.764,20 3.964,21 4.224,22 2.791,23 3.153,24 4.609,25 2.858,26 4.21,27 4.611,28 2.687,29 2.98,30 4.576,31 2.596,32 3.544,33 3.882,34 3.107,35 2.675,36 4.111,37 2.309,38 3.292,39 3.655,40 1.819,41 2.256,42 3.778,43 1.668,56 0.035,57 0.274,58 5.958,59 2.103,60 3.096,61 3.13,62 0.117,63 0.403,64 18.633,65 3.406,66 5.361,67 4.938,68 0.077,69 0.477,70 19.932,71 5.163,72 8.211,73 6.789,74 0.135,75 0.401,76 29.82,77 4.951,78 7.725,79 6.507,80 0.048,81 0.234,82 15.028,83 3.612,84 6.427,85 4.154,86 0.082,87 0.112,88 36.732,89 3.291,90 5.397,91 2.983,104 24,105 9,106 0.292,107 0.397,108 0.631,109 0.631,110 0.587,111 0.43,112 2.25,113 1.818,114 0.34,115 0.18,116 -0.05,117 1,121 26.1,123 1,126 3,127 2,187 1,189 1,216 1,281 38,282 4.646,283 4.646,284 4.646,285 4.646,286 4.646,287 4.646,288 6.055,289 2.943,290 4.948,291 3.427,292 3.427,293 3.427,294 3.427,295 3.427,296 3.427,297 7.743,298 1.353,299 3.951,300 3.222,301 2.755,302 1.708,303 1.708,304 1.905,305 2.604,306 2.737,312 1,313 56,314 3,325 0.75,326 2.55,329 1,330 0.83,331 0.83,332 0.2,333 1,334 1,335 1,336 0.84,337 16.25,338 34,339 4.098,340 3.484,341 6.393,342 4.002,343 3.098,344 3.098,345 1.2,346 9.951,347 2.8,348 2.453,349 2.102,350 3.526,351 2.335,352 1.453,353 1.453,355 2.672,356 1.209,357 1.247,358 0.84,359 2.659,360 0.966,361 0.247,362 0.247,364 0.375,365 0.126,367 -0.553,368 2,369 -0.1,370 -1,371 -1,373 -1.884,374 -0.692,376 -0.6,377 2,378 -0.1,379 -1,380 -1,381 -0.4,382 -3,383 -0.9,385 -0.6,386 1.263,387 -0.295,388 -1,389 -1,390 -0.4,391 -3,392 -0.9,393 -0.798,394 -1.594,395 0.159,396 -0.907,397 -1.798,398 -1.798,399 -0.4,400 -5.114,401 -1.644,474 4.733,475 0.592,476 0.353,477 0.044,478 4.5,479 0.563,482 4.5,483 0.563,484 8.322,485 1.04,486 10.567,487 0.459,488 0.896,489 0.112,490 0.333,491 0.042,492 3.227,493 0.403,494 0.599,495 0.085,501 0.982,502 2.298,503 0.534,504 1.157,505 1.261,506 1.401,507 2.005,508 0.68,509 0.863,510 0.713,511 0.68,512 0.805,513 0.835,514 1.656,515 0.738,516 1.282,517 1.451,518 1.54,519 0.413,520 0.547,521 0.48,522 0.555,523 0.517,524 0.558,525 0.456,526 0.93,527 0.792,528 0.76,529 0.598,530 0.849,531 2.073,532 0.428,533 3.781,534 2.263,535 2.21,536 1.277,549 3,551 0.667,552 0.375,553 0.24,559 179,560 437,561 1.542,562 65.2,564 13,570 2,572 1.295,573 1.391,574 2.179,575 -0.71,582 29.929,583 1.301,584 1.769,585 2.816,586 2.816,587 2.619,588 1.919,589 1.5,590 1.75,591 2.968,592 2.216,593 62.061,594 4.62,595 328.029,600 104.042,601 1.406,602 2.807,603 0.429,605 0.074,606 0.075,607 0.06,613 0.638,614 1,615 1,616 1.5,617 22.835,618 0.121,619 -0.747,620 0.001,621 -0.207,622 -0.28,623 -0.2,624 -0.37,625 0.509,626 -0.061,627 0.16,628 0.145,629 0.15,630 -0.166,631 -0.449,632 -0.097,633 -0.363,634 -0.442,635 -0.478,636 0.199,637 0.134,638 0.069,639 0.131,640 0.138,641 0.187,642 0.159,643 -0.073,644 0.139,645 0.199,646 0.358,647 0.095,648 -0.358,649 0.028,650 -0.508,651 -0.394,652 -0.385,653 -0.164,666 0.425,667 0.642,669 3.063,670 0.976,671 1.15,672 -1.575,673 2.48,674 0.612,675 2.079,676 2.303,677 1.792,678 1.609,679 1.386,685 2.847,686 0.522,687 181.12,688 2.079,689 3.497,690 4.111,691 4.934,692 5.58,693 6.409,694 7.066,695 7.895,696 8.557,697 9.386,698 4.3,712 1,741 23,745 7,746 1,747 22,748 6,754 1,763 1,770 1,773 6,793 15,796 2,797 1,802 1,803 1,807 1,863 1,864 3,868 8,876 3,883 1,892 1,901 5.75,902 4.893,903 1.875,904 1.446,908 1,909 0.815,910 3.655,911 3.611,912 2.079,913 2.303,914 1.792,915 1.609,916 1.386,922 0.667,923 5,924 2.963,925 0.062,926 0.999,927 -0.145,929 7.344,931 5.99,932 0.018,933 4.224,934 -0.066,935 0.014,936 1.844,937 14.75,938 0.091,941 176.567,942 32.233,943 45.954,948 78.188,949 176.567,951 25.189,952 7.044,957 176.567,958 45.954,959 176.567,960 32.233,963 45.954,964 153.024,965 23.542,968 7.044,969 25.189,971 45.954,972 176.567,974 78.188,977 176.567,978 7.044,979 25.189,980 45.954,982 176.567,984 78.188,986 0.556,987 0.2,988 0.078,989 0.047,990 3,991 2,992 0.091,993 2,996 1.774,997 28,1000 19.245,1005 8.442,1006 3.464,1007 7.625,1018 254.754,1019 7,1031 22.458,1032 26.454,1034 0.288,1035 0.391,1036 0.622,1037 0.622,1038 0.579,1039 0.424,1040 3.258,1042 4.263,1043 -5.114,1044 2.944,1045 2.944,1046 1.072,1047 5.043,1048 2.716,1049 4.454,1051 5.838,1053 3.219,1054 3.219,1055 0.931,1056 6.698,1057 2.918,1058 5.775,1060 7.555,1062 4.71,1063 4.71,1064 1.148,1065 9.279,1066 4.297,1067 7.129,1069 9.344,1071 5.602,1072 5.602,1073 1.241,1074 11.448,1075 5.09,1076 8.509,1078 11.166,1080 6.836,1081 6.836,1082 1.386,1083 13.806,1084 6.229,1085 9.901,1087 13.005,1089 7.897,1090 7.897,1091 1.521,1092 16.074,1093 7.186,1094 11.3,1096 14.852,1098 9.061,1099 9.061,1100 1.668,1101 18.386,1102 8.253,1103 3.098,1105 16.703,1107 10.17,1108 10.17,1109 1.818,1110 20.676,1111 9.259,1112 1.453,1113 9.951,1114 18.556,1116 11.312,1117 11.312,1118 1.973,1119 22.978,1120 10.302,1121 0.247,1122 2.672,1123 20.41,1124 3.098,1125 12.436,1126 12.436,1127 2.132,1128 25.273,1129 11.324,1130 -1,1131 0.375,1132 22.264,1133 1.453,1134 13.57,1135 13.57,1136 2.294,1137 27.572,1138 12.358,1139 -1,1140 -1.884,1141 24.119,1142 0.247,1143 14.698,1144 14.698,1145 2.46,1146 29.869,1147 13.385,1148 -1,1149 -3,1150 25.974,1151 -1,1152 15.831,1153 15.831,1154 2.628,1155 32.167,1156 14.416,1157 -1.798,1158 -3,1159 27.829,1160 -1,1161 16.96,1162 16.96,1163 2.798,1164 34.465,1165 15.445,1166 258,1167 420,1168 3.466,1169 14.068,1170 9.595,1171 10.213,1172 9.729,1173 9.549,1174 9.595,1175 9.595,1176 2.4,1177 25.995,1178 8.271,1179 4.896,1180 5.078,1181 6.235,1182 4.909,1183 4.896,1184 4.896,1185 1.6,1186 15.065,1187 4.444,1188 5.151,1189 1.371,1190 1.459,1191 1.39,1192 1.364,1193 1.371,1194 1.371,1195 0.343,1196 3.714,1197 1.182,1198 3.852,1199 3.94,1200 6.88,1201 3.646,1202 4.414,1203 3.641,1204 3.427,1205 3.503,1206 3.692,1207 3.308,1208 4.014,1209 3.253,1210 2.874,1211 3.009,1212 3.033,1213 2.626,1214 3.467,1215 2.57,1216 2.874,1217 3.009,1218 2.499,1219 2.618,1220 3.467,1221 2.57,1222 2.742,1223 2.846,1224 2.499,1225 2.618,1226 3.305,1227 2.522,1228 2.068,1229 2.236,1230 2.134,1231 1.81,1232 2.473,1233 1.698,1234 1.093,1235 1.247,1236 1.426,1237 1.207,1238 1.951,1239 0.931,1240 1.041,1241 1.207,1242 0.584,1243 0.493,1244 1.23,1245 0.491,1246 0.585,1247 0.498,1248 0.913,1249 0.572,1250 0.443,1251 4.098,1252 0.443,1253 3.484,1254 0.171,1255 6.393,1256 1.422,1257 4.002,1258 0.4,1259 3.098,1260 3.098,1261 1.2,1262 9.951,1263 2.8,1264 1.791,1265 1.71,1266 2.024,1267 2.042,1268 1.324,1269 2.046,1270 1.431,1271 1.354,1272 1.699,1273 1.623,1274 0.969,1275 1.676,1276 0.934,1277 0.804,1278 1.417,1279 1.239,1280 0.469,1281 1.308,1282 0.934,1283 0.804,1284 1.417,1285 1.239,1286 0.469,1287 1.308,1288 0.765,1289 0.664,1290 1.139,1291 1.018,1292 0.416,1293 1.096,1294 0.125,1296 0.717,1297 0.512,1299 0.604,1312 2.708,1314 3.932,1316 5.303,1318 6.737,1320 8.201,1321 3.392,1322 6.633,1328 3.65,1335 1.075,1340 11.998,1341 29.929,1342 40.684,1343 64.758,1344 64.758,1345 60.234,1346 44.14,1347 10.73,1348 3.611,1352 10.003,1355 18.572,1356 13,1357 12,1358 0.825,1359 88.496,1360 143.96,1361 207.691,1362 71,1363 4.3,1364 6.621,1365 0.828,1366 0.948,1367 7.621,1368 7.585,1369 3.561,1370 0.509,1371 0.606,1372 3.127,1373 2.826,1374 2.833,1375 2.486,1376 4.268,1377 4.242,1378 3.664,1379 0.407,1380 0.461,1381 4.164,1382 4.146,1383 1.28,1384 0.256,1385 0.324,1386 1.634,1387 1.621,1388 0.707,1389 0.177,1390 0.219,1391 0.884,1392 0.878,1393 0.53,1394 0.177,1395 0.347,1396 1.061,1397 1.042,1398 1.179,1399 32.544,1400 0.537,1401 8.027,1402 2.436,1403 32,1404 52.987,1405 88.341,1406 86.789,1407 98.9,1408 80,1409 30,1410 38.275,1411 49.956,1412 49.138,1413 64.68,1414 42,1415 4.056}
{0 CHEMBL139819,1 1.378,2 7.571,3 4.501,4 20.255,5 88.439,6 7.471,7 0.458,8 3.783,9 3.905,10 3.37,11 3.436,12 4.758,13 3.376,14 4.364,15 4.532,16 3.804,17 3.906,18 5.252,19 3.818,20 4.699,21 4.908,22 3.974,23 4.111,24 5.569,25 3.995,26 4.771,27 5.003,28 3.973,29 4.077,30 5.706,31 3.943,32 4.737,33 4.991,34 3.644,35 3.973,36 5.575,37 3.803,38 4.633,39 4.921,40 3.497,41 3.821,42 5.347,43 3.614,44 4.383,45 4.653,46 3.191,47 3.559,48 5.214,49 3.336,50 4.005,51 4.308,52 2.755,53 3.114,54 4.775,55 2.878,56 0.039,57 0.55,58 8.397,59 3.787,60 6.736,61 5.27,62 0.062,63 0.95,64 16.426,65 7.235,66 10.271,67 10.083,68 0.136,69 1.298,70 25.71,71 10.015,72 19.017,73 13.987,74 0.279,75 1.375,76 29.766,77 10.445,78 36.364,79 14.736,80 0.253,81 1.319,82 29.841,83 9.899,84 33.347,85 13.92,86 0.15,87 1.107,88 27.215,89 10.21,90 20.523,91 14.298,92 0.192,93 0.827,94 25.778,95 7.852,96 27.268,97 10.672,98 0.119,99 0.577,100 15.6,101 5.161,102 17.316,103 7.218,104 11,105 36,106 0.245,107 0.636,108 0.808,109 0.88,110 0.88,111 0.88,112 3.106,113 1.014,114 -5.11,115 -5,116 -4.68,121 45,122 1,123 4,124 2,137 1,138 1,144 3,145 2,146 2,148 2,165 1,166 1,167 1,176 12,180 4,185 2,187 20,189 2,192 3,197 1,200 14,203 1,206 5,208 1,209 1,211 6,214 15,216 6,219 1,224 3,227 11,229 3,232 1,237 2,239 13,241 2,244 1,249 1,251 9,253 1,264 6,277 4,281 451,282 14.334,283 14.334,284 14.334,285 14.334,286 14.334,287 12.742,288 14.693,289 8.13,290 14.509,291 11.8,292 11.8,293 11.8,294 11.8,295 11.8,296 9.294,297 14.523,298 3.797,299 12.154,300 3.944,301 1.74,302 0.775,303 0.369,304 0.369,305 0.369,306 3.805,308 1,311 1,312 1,313 353,314 2.345,318 130.396,320 43.219,322 106.544,324 63.569,325 1.17,326 14.744,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 43.333,338 159,339 4.716,340 3.528,341 7.014,342 4.312,343 3.332,344 4.65,345 0.68,346 11.94,347 3.264,348 4.182,349 3.182,350 6.42,351 3.878,352 2.9,353 3.634,355 9.838,356 2.83,357 3.826,358 2.842,359 5.603,360 3.436,361 2.454,362 3.136,364 7.603,365 2.406,366 3.553,367 2.497,368 5.401,369 3.202,370 2.228,371 2.966,373 6.886,374 2.175,375 3.216,376 2.325,377 5.026,378 2.941,379 1.989,380 2.417,382 5.841,383 1.874,384 3.002,385 2.019,386 4.888,387 2.752,388 1.764,389 2.083,391 5.244,392 1.743,393 2.936,394 1.901,395 4.773,396 2.623,397 1.684,398 1.982,400 4.818,401 1.525,402 2.583,403 1.266,404 3.836,405 2.158,406 1.19,407 1.604,409 2.809,410 1.124,411 1.585,412 0.665,413 3.29,414 1.436,415 0.436,416 0.461,418 0.641,419 0.436,420 1.393,421 0.576,422 3.027,423 1.167,424 0.192,425 0.22,427 0.578,428 0.181,429 1.342,430 0.297,431 2.82,432 0.95,438 0.993,439 0.104,440 2.656,441 0.589,442 -0.268,443 -0.322,445 -0.642,446 -0.184,447 0.812,448 -0.431,449 2.441,450 0.455,451 -0.497,452 -0.59,454 -1.347,455 -0.476,456 0.347,457 -0.547,458 2.335,459 0.224,460 -0.763,461 -0.856,463 -1.938,464 -0.752,465 0.325,466 -0.666,467 2,468 0.071,469 -0.916,470 -1.055,472 -2.662,473 -0.897,474 10.514,475 0.501,476 0.589,477 0.028,478 24.5,479 1.167,480 11.5,481 0.548,482 13,483 0.619,484 20.535,485 0.978,486 21.886,487 0.547,488 14.313,489 0.682,490 4.076,491 0.194,492 6.093,493 0.29,494 0.154,496 0.428,501 0.759,502 1,503 0.66,504 0.837,505 0.915,506 0.853,507 0.569,508 1.097,509 0.651,510 0.92,511 0.52,512 0.909,513 0.842,514 1.139,515 0.815,516 0.981,517 0.796,518 0.972,519 0.803,520 1.162,521 0.862,522 1.045,523 0.78,524 1.022,525 1.408,526 0.972,527 1.12,528 1.012,529 1.486,530 1.075,531 0.658,532 0.929,533 0.796,534 0.92,535 0.737,536 0.931,537 1.581,538 0.922,539 1.576,540 1.157,541 1.514,542 1.12,543 1.177,544 0.78,545 1.021,546 0.871,547 1.209,548 0.934,549 4.5,550 0.012,551 2,552 2.438,553 1.622,554 1,555 0.344,556 0.24,557 0.103,558 0.026,559 3938,560 8594,561 2.155,562 47.5,563 11,564 4,567 2,568 2,572 1.638,573 2,574 2.905,575 0.237,582 55.108,583 1.378,584 3.582,585 4.546,586 4.953,587 4.953,588 4.953,589 2.416,590 4.202,591 4.366,592 2.977,593 625.088,594 7.511,595 6189.47,597 1,600 212.877,601 1.449,602 4.318,603 0.188,604 0.012,605 0.056,606 0.061,607 0.045,608 0.038,609 0.016,610 0.017,611 0.013,612 0.006,613 0.453,614 0.83,615 1,616 0.819,617 91.242,618 -0.062,619 0.12,620 0.021,621 0.097,622 -0.091,623 0.086,624 0.06,625 -0.057,626 0.079,627 0.036,628 0.106,629 0.057,630 0.01,631 -0.118,632 0.029,633 -0.027,634 0.017,635 -0.012,636 0.236,637 -0.141,638 0.051,639 -0.101,640 0.27,641 -0.073,642 -0.256,643 0.06,644 -0.182,645 -0.079,646 -0.263,647 -0.137,648 0.079,649 -0.029,650 0.117,651 0.071,652 0.047,653 0.074,654 -0.217,655 -0.014,656 -0.225,657 -0.126,658 -0.231,659 -0.122,660 -0.101,661 0.146,662 0.032,663 0.111,664 -0.123,665 0.052,666 0.954,667 2.519,668 0.81,669 12.354,670 0.987,671 1.117,672 3.876,673 15.025,674 0.693,675 3.219,676 3.611,677 3.97,678 4.344,679 4.644,680 4.844,681 5.017,682 5.209,683 5.288,684 5.338,685 4.436,686 0.64,687 298.84,688 3.219,689 4.796,690 5.694,691 6.621,692 7.534,693 8.469,694 9.388,695 10.326,696 11.247,697 12.187,698 5,702 1,708 1,714 2,715 3,716 1,720 4,722 11,733 1,740 1,741 40,743 12,744 1,745 24,747 43,748 18,749 9,750 3,751 3,756 4,757 10,758 1,763 1,767 3,768 2,770 4,772 11,773 7,774 2,777 1,784 1,786 1,790 1,793 19,794 2,795 2,796 3,797 1,802 2,808 0.25,822 1,829 4,831 1,833 2,835 1,849 1,850 1,859 1,864 1,865 1,868 21,869 1,876 4,880 2,892 1,901 10.5,902 7.426,903 4.5,904 2.74,907 2.762,908 1.365,909 1.033,910 3.055,911 10.325,912 3.45,913 4.119,914 4.773,915 5.421,916 6.022,917 6.448,918 6.874,919 7.325,920 7.71,921 7.899,922 1,923 40,924 7.801,926 3.45,927 0.026,929 7.474,931 15.526,933 13.893,936 1.974,937 41.444,938 0.001,940 1,941 200.109,942 76.971,943 49.683,944 39.149,948 76.971,949 239.257,950 49.683,951 8.825,952 10.138,953 70.802,954 16.786,955 20.102,957 200.109,958 39.149,959 200.109,960 126.653,962 39.149,964 200.109,968 23.864,969 76.527,970 65.41,972 200.109,973 49.683,974 116.119,977 200.109,978 30.24,979 46.73,981 88.831,982 200.109,983 49.683,984 116.119,986 0.595,987 0.367,988 0.215,989 0.12,990 21,991 9,992 0.023,993 1,994 4,995 1.412,996 3.214,997 181.711,998 0.471,999 16,1000 92.239,1005 13.298,1006 4.825,1007 2.008,1008 1.863,1009 49.683,1010 5.857,1011 4.877,1015 4.034,1017 32.897,1018 365.911,1019 30.5,1026 2.472,1028 1.57,1031 39.48,1032 44.677,1034 0.259,1035 0.673,1036 0.854,1037 0.931,1038 0.931,1039 0.931,1040 4.734,1041 1.19,1042 5.714,1043 4.818,1044 4.29,1045 4.804,1046 0.655,1047 6.611,1048 4.234,1049 5.969,1050 0.436,1051 7.322,1052 2.809,1053 4.007,1054 4.783,1056 7.639,1057 3.904,1058 7.312,1059 0.192,1060 9.027,1061 0.641,1062 5.964,1063 7.093,1064 0.356,1065 10.807,1066 5.87,1067 8.689,1069 10.789,1070 0.578,1071 6.463,1072 7.892,1074 12.655,1075 6.329,1076 10.098,1077 -0.268,1078 12.588,1080 7.928,1081 9.72,1082 0.18,1083 15.361,1084 7.797,1085 11.531,1086 -0.497,1087 14.414,1088 -0.642,1089 8.8,1090 10.913,1092 17.567,1093 8.635,1094 12.983,1095 -0.763,1096 16.259,1097 -1.347,1098 10.079,1099 12.556,1100 0.087,1101 20.114,1102 9.907,1103 3.332,1104 -0.916,1105 18.122,1106 -1.938,1107 11.126,1108 13.935,1110 22.473,1111 10.925,1112 2.9,1113 11.94,1114 19.997,1115 -2.662,1116 12.338,1117 15.506,1118 0.041,1119 24.965,1120 12.124,1121 2.454,1122 9.838,1123 21.884,1124 4.65,1125 13.464,1126 16.971,1128 27.388,1129 13.225,1130 2.228,1131 7.603,1132 23.78,1133 3.634,1134 14.655,1135 18.517,1136 0.019,1137 29.864,1138 14.399,1139 1.989,1140 6.886,1141 25.683,1142 3.136,1143 15.816,1144 20.02,1146 32.315,1147 15.538,1148 1.764,1149 5.841,1150 27.592,1151 2.966,1152 17.003,1153 21.557,1154 0.009,1155 34.787,1156 16.706,1157 1.684,1158 5.244,1159 29.507,1160 2.417,1161 18.181,1162 23.078,1164 37.251,1165 17.863,1166 3760,1167 5673,1168 16.126,1169 27.722,1170 36.709,1171 37.284,1172 38.555,1173 36.558,1174 36.337,1175 46.303,1176 1.36,1177 112.394,1178 35.113,1179 5.67,1180 5.528,1181 6.55,1182 5.354,1183 5.332,1184 7.65,1185 1.36,1186 19.541,1187 5.264,1188 9.374,1189 1.53,1190 1.553,1191 1.606,1192 1.523,1193 1.514,1194 1.929,1195 0.057,1196 4.683,1197 1.463,1198 4.137,1199 4.164,1200 4.155,1201 4.074,1202 5.168,1203 4.075,1204 3.881,1205 3.914,1206 3.857,1207 3.821,1208 4.859,1209 3.81,1210 3.533,1211 3.592,1212 3.52,1213 3.435,1214 4.617,1215 3.423,1216 3.307,1217 3.378,1218 3.292,1219 3.173,1220 4.424,1221 3.161,1222 3.215,1223 3.291,1224 3.161,1225 3.065,1226 4.153,1227 3.052,1228 2.999,1229 3.072,1230 3.004,1231 2.873,1232 3.913,1233 2.857,1234 2.906,1235 2.993,1236 2.736,1237 2.754,1238 3.593,1239 2.731,1240 2.755,1241 2.841,1242 2.69,1243 2.576,1244 3.52,1245 2.554,1246 0.196,1247 0.147,1248 0.292,1249 0.18,1250 0.139,1251 4.716,1252 0.194,1253 3.528,1254 0.028,1255 7.014,1256 0.497,1257 4.312,1258 0.136,1259 3.332,1260 4.65,1261 0.68,1262 11.94,1263 3.264,1264 2.095,1265 2.072,1266 2.186,1267 2.178,1268 1.539,1269 2.183,1270 1.887,1271 1.857,1272 2.003,1273 1.975,1274 1.184,1275 1.992,1276 1.55,1277 1.496,1278 1.808,1279 1.705,1280 1.036,1281 1.744,1282 1.306,1283 1.248,1284 1.52,1285 1.494,1286 0.85,1287 1.505,1288 1.225,1289 1.153,1290 1.501,1291 1.422,1292 0.62,1293 1.458,1294 0.956,1295 0.906,1296 1.28,1297 1.199,1298 0.502,1299 1.207,1300 0.937,1301 0.856,1302 1.189,1303 1.151,1304 0.277,1305 1.2,1306 0.749,1307 0.671,1308 1.046,1309 0.961,1310 0.139,1311 1.002,1312 3.892,1314 5.263,1316 6.855,1318 8.558,1320 10.318,1322 2.243,1323 6.363,1326 6.519,1328 4.492,1332 1.154,1340 25.612,1341 55.108,1342 143.262,1343 181.858,1344 198.122,1345 198.122,1346 198.122,1347 28.568,1348 7.563,1349 38.91,1350 38.91,1351 24,1352 12.686,1353 3.7,1354 2.907,1355 27.813,1356 57,1357 61,1358 0.258,1359 158.216,1360 270.09,1361 377.807,1362 17746,1363 2.5,1364 14.56,1365 0.693,1366 0.617,1367 15.06,1368 12.951,1369 10.169,1370 0.424,1371 0.338,1372 7.736,1373 9.782,1374 7.483,1375 6.157,1376 10.458,1377 8.108,1378 9.521,1379 0.264,1380 0.186,1381 9.892,1382 6.706,1383 8.496,1384 0.163,1385 0.102,1386 8.833,1387 5.318,1388 7.958,1389 0.105,1390 0.057,1391 8.348,1392 4.358,1393 6.488,1394 0.063,1395 0.032,1396 6.698,1397 3.281,1398 0.38,1399 64.887,1400 0.249,1401 19.95,1402 0.786,1403 120,1404 249.161,1405 138.6,1406 283.693,1407 394.51,1408 266,1409 148,1410 281.525,1411 163.207,1412 299.964,1413 447.98,1414 285,1415 7.932}
{0 CHEMBL140020,1 1.237,2 15.367,3 2.724,4 7.42,5 126.179,6 5.98,7 0.387,8 4.24,9 4.387,10 3.607,11 3.759,12 5.211,13 3.684,14 4.806,15 5.033,16 3.933,17 4.161,18 5.627,19 4.063,20 5.114,21 5.335,22 4.024,23 4.422,24 5.98,25 4.271,26 5.344,27 5.63,28 3.937,29 4.49,30 6.132,31 4.287,32 5.28,33 5.58,34 3.782,35 4.383,36 6.077,37 4.155,38 5.084,39 5.398,40 3.639,41 4.127,42 5.885,43 3.926,44 4.747,45 4.99,46 3.482,47 3.967,48 5.589,49 3.79,50 4.873,51 5.184,52 3.457,53 3.971,54 5.518,55 3.756,56 0.084,57 0.923,58 16.544,59 6.554,60 13.553,61 9.647,62 0.223,63 1.502,64 28.668,65 10.235,66 15.606,67 15.549,68 0.251,69 1.944,70 38.338,71 15.353,72 35.756,73 22.232,74 0.308,75 2.226,76 46.422,77 18.738,78 55.183,79 27.182,80 0.228,81 2.029,82 42.84,83 18.04,84 58.889,85 25.917,86 0.266,87 1.609,88 35.43,89 13.75,90 52.975,91 19.943,92 0.188,93 1.268,94 26.176,95 10.416,96 29.618,97 14.97,98 0.264,99 1.344,100 28.47,101 11.678,102 21.152,103 16.984,104 62,105 43,106 0.197,107 0.465,108 0.62,109 0.657,110 0.657,111 0.657,112 3.439,113 1.074,114 1.23,115 1.02,116 0.7,121 39.7,123 4,126 4,127 2,136 2,137 2,144 8,145 2,146 2,158 1,176 14,180 2,187 15,189 6,192 2,200 14,203 6,206 2,214 11,216 2,219 4,227 14,229 2,232 4,239 15,241 2,251 12,258 2,264 12,266 2,277 10,279 2,281 1612,282 19.496,283 19.496,284 19.496,285 19.496,286 19.496,287 17.711,288 27.411,289 11.518,290 19.728,291 15.171,292 15.171,293 15.171,294 15.171,295 15.171,296 12.402,297 31.13,298 5.204,299 15.591,300 4.85,301 3.167,302 2.191,303 1.956,304 1.956,305 1.956,306 4.1,311 1,312 1,313 935,314 5,318 246.932,325 2.458,326 18.002,329 1,330 0.67,331 0.83,332 0.9,333 1,334 0.83,335 0.5,336 0.82,337 62,338 461,339 4.486,340 3.727,341 7.292,342 4.293,343 3.374,344 3.854,345 2.178,346 12.402,347 3.106,348 4.485,349 3.727,350 7.292,351 4.293,352 3.374,353 3.853,354 1.26,355 12.402,356 3.106,357 3.875,358 3.627,359 5.406,360 3.587,361 2.577,362 3.211,363 1.26,364 7.131,365 2.602,366 3.833,367 2.709,368 5.37,369 3.49,370 2.496,371 3.192,372 0.245,373 7.034,374 2.478,375 3.591,376 2.685,377 4.993,378 3.268,379 2.236,380 2.787,381 0.245,382 5.938,383 2.294,384 3.045,385 1.927,386 4.826,387 2.701,388 1.72,389 2.176,391 4.992,392 1.684,393 3.026,394 1.92,395 4.794,396 2.662,397 1.677,398 2.153,400 4.925,401 1.648,402 2.597,403 1.451,404 3.449,405 2.069,406 1.08,407 1.5,409 2.275,410 1.067,411 2.593,412 1.45,413 3.414,414 2.054,415 1.066,416 1.5,418 2.275,419 1.052,420 2.5,421 1.107,422 3.414,423 2,424 1,425 1.431,427 1.993,428 1,429 2.5,430 1,431 3.395,432 2,433 1,434 1.426,436 1.786,437 1,438 1.929,439 1,440 3.234,441 1.798,442 0.802,443 0.88,445 1.704,446 0.799,447 1.715,448 0.973,449 2.903,450 1.43,451 0.4,452 0.482,454 0.907,455 0.409,456 0.974,457 0.243,458 2.662,459 0.64,460 -0.347,461 -0.42,463 -0.729,464 -0.342,465 0.97,466 -0.025,467 2.533,468 0.562,469 -0.45,470 -0.595,472 -0.785,473 -0.449,474 14.633,475 0.488,476 0.911,477 0.03,478 33.25,479 1.108,480 15.5,481 0.517,482 17.75,483 0.592,484 28.536,485 0.951,486 33.967,487 0.5,488 27.57,489 0.919,490 6.924,491 0.231,492 7.251,493 0.242,494 0.228,495 0.055,496 0.171,501 0.852,502 1.541,503 1.049,504 1.276,505 0.752,506 1.188,507 1.387,508 0.954,509 1.024,510 0.862,511 0.613,512 0.891,513 1.235,514 1.267,515 1.245,516 1.251,517 1.183,518 1.25,519 0.967,520 0.97,521 1.041,522 1.018,523 0.957,524 1.032,525 0.534,526 1.047,527 0.948,528 1.094,529 0.769,530 1.059,531 1.159,532 0.789,533 0.821,534 0.806,535 1.268,536 0.797,537 1.441,538 1.196,539 1.268,540 1.234,541 1.571,542 1.243,543 0.294,544 0.877,545 0.794,546 0.901,547 0.5,548 0.886,549 8.5,550 0.149,551 4.667,552 1.875,553 1.164,554 1.111,555 0.446,556 0.385,557 0.362,558 0.151,559 12879,560 23534,561 1.906,562 55.9,563 4,564 30,568 4,572 1.719,573 1.748,574 3.836,575 -0.891,582 84.144,583 1.237,584 2.921,585 3.896,586 4.131,587 4.131,588 4.131,589 3.298,590 3.574,591 4.879,592 4.058,593 1765.3,594 8.457,595 27238.9,600 413.947,601 1.665,602 4.797,603 0.274,604 0.007,605 0.109,606 0.043,607 0.03,608 0.035,609 0.015,610 0.016,611 0.015,612 0.005,613 0.549,614 0.67,615 0.88,616 1.435,617 160.507,618 0.089,619 -0.274,620 0.05,621 -0.111,622 -0.072,623 -0.05,624 -0.119,625 0.232,626 0.057,627 0.16,628 0.01,629 0.132,630 -0.128,631 -0.165,632 -0.205,633 -0.182,634 -0.129,635 -0.197,636 -0.072,637 0.008,638 -0.066,639 -0.024,640 -0.041,641 -0.041,642 0.077,643 -0.115,644 -0.008,645 -0.097,646 0.045,647 -0.063,648 0.029,649 0.118,650 0.149,651 0.137,652 0.079,653 0.15,654 -0.158,655 -0.158,656 -0.241,657 -0.2,658 -0.168,659 -0.222,660 0.333,661 0.051,662 0.144,663 0.073,664 0.082,665 0.091,666 1.339,667 5.384,668 0.4,669 37.547,670 0.977,671 1.128,672 -2.46,673 6.052,674 0.635,675 3.466,676 3.784,677 3.932,678 4.025,679 4.143,680 4.19,681 4.174,682 4.111,683 4.174,684 3.892,685 8.807,686 0.577,687 406.67,688 3.466,689 5.004,690 5.814,691 6.678,692 7.508,693 8.374,694 9.211,695 10.078,696 10.918,697 11.785,698 2.9,712 2,715 8,720 4,722 12,741 68,743 15,744 2,745 31,747 69,748 27,749 12,750 4,751 8,756 2,757 2,770 4,772 17,773 10,777 3,778 2,782 1,784 2,786 1,793 38,794 1,796 3,802 2,803 2,807 2,808 1,809 1,829 2,841 1,848 2,849 2,859 2,864 4,868 30,876 6,883 2,893 1.5,896 1,901 17.167,902 13.25,903 6.75,904 4.194,907 2.216,908 1.318,909 0.904,910 8.343,911 9.194,912 3.714,913 4.205,914 4.62,915 5.048,916 5.522,917 5.619,918 5.746,919 5.756,920 5.964,921 5.455,922 1,923 44,924 11.11,926 4.428,927 0.026,929 7.544,931 21.837,933 17.417,936 2.044,937 61.333,941 447.302,942 191.249,945 25.145,948 191.249,949 472.447,951 33.586,952 45.883,953 94.762,954 30.278,955 11.885,957 447.302,959 447.302,960 191.249,961 25.145,964 447.302,965 25.145,968 14.35,969 157.947,970 18.952,972 447.302,973 25.145,974 191.249,977 447.302,978 31.368,979 128.348,981 56.679,982 447.302,983 25.145,984 191.249,986 0.579,987 0.325,988 0.155,989 0.076,990 17,991 9,992 0.174,993 12,995 1,996 4.145,997 234.61,999 12,1000 107.207,1005 23.795,1006 10.519,1007 7.072,1009 25.145,1010 17.242,1015 4.946,1018 663.696,1019 40,1020 7.684,1024 12.384,1026 3.892,1028 0.327,1031 66.436,1032 76.68,1034 0.203,1035 0.48,1036 0.64,1037 0.679,1038 0.679,1039 0.679,1040 4.956,1041 1.08,1042 5.861,1043 4.925,1044 4.466,1045 4.89,1046 2.594,1047 6.713,1048 4.407,1049 6.169,1050 1.066,1051 7.47,1052 2.275,1053 4.369,1054 4.745,1055 2.373,1056 8.127,1057 4.19,1058 7.486,1059 1,1060 9.208,1061 2.275,1062 6.196,1063 6.973,1064 3.538,1065 11.072,1066 6.023,1067 8.842,1068 1,1069 11.027,1070 1.993,1071 6.899,1072 7.559,1073 3.878,1074 13.269,1075 6.576,1076 10.23,1077 0.802,1078 12.897,1079 1.786,1080 8.295,1081 9.343,1082 4.848,1083 15.891,1084 7.953,1085 11.642,1086 0.4,1087 14.803,1088 1.704,1089 9.309,1090 10.256,1091 5.423,1092 18.316,1093 8.824,1094 13.07,1095 -0.347,1096 16.732,1097 0.907,1098 10.572,1099 11.846,1100 6.303,1101 20.864,1102 10.036,1103 3.374,1104 -0.45,1105 18.678,1106 -0.729,1107 11.706,1108 12.932,1109 6.988,1110 23.354,1111 11.046,1112 3.374,1113 12.402,1114 20.635,1115 -0.785,1116 12.93,1117 14.422,1118 7.818,1119 25.881,1120 12.199,1121 2.577,1122 12.402,1123 22.601,1124 3.854,1125 14.112,1126 15.608,1127 8.553,1128 28.39,1129 13.271,1130 2.496,1131 7.131,1132 24.573,1133 3.853,1134 15.325,1135 17.04,1136 9.357,1137 30.911,1138 14.403,1139 2.236,1140 7.034,1141 26.549,1142 3.211,1143 16.526,1144 18.287,1145 10.115,1146 33.426,1147 15.505,1148 1.72,1149 5.938,1150 28.529,1151 3.192,1152 17.739,1153 19.685,1154 10.906,1155 35.944,1156 16.632,1157 1.677,1158 4.992,1159 30.51,1160 2.787,1161 18.948,1162 20.97,1163 11.676,1164 38.461,1165 17.747,1166 13065,1167 17744,1168 19.356,1169 43.171,1170 46.8,1171 46.488,1172 47.438,1173 45.792,1174 45.603,1175 56.891,1176 10.376,1177 131.53,1178 44.489,1179 5.401,1180 5.727,1181 7.009,1182 5.293,1183 5.374,1184 6.854,1185 3.677,1186 19.547,1187 5.106,1188 19.921,1189 1.51,1190 1.5,1191 1.53,1192 1.477,1193 1.471,1194 1.835,1195 0.335,1196 4.243,1197 1.435,1198 4.038,1199 4.085,1200 3.963,1201 3.94,1202 7.426,1203 3.94,1204 3.979,1205 4.026,1206 3.91,1207 3.884,1208 4.804,1209 3.884,1210 3.761,1211 3.817,1212 3.649,1213 3.598,1214 4.762,1215 3.602,1216 3.687,1217 3.749,1218 3.565,1219 3.536,1220 4.671,1221 3.534,1222 3.57,1223 3.612,1224 3.459,1225 3.442,1226 4.669,1227 3.438,1228 3.363,1229 3.439,1230 3.192,1231 3.217,1232 4.195,1233 3.202,1234 3.331,1235 3.411,1236 3.153,1237 3.153,1238 4.185,1239 3.143,1240 3.179,1241 3.264,1242 2.969,1243 3.016,1244 3.863,1245 2.993,1246 0.145,1247 0.12,1248 0.235,1249 0.138,1250 0.109,1251 4.486,1252 0.124,1253 3.727,1254 0.07,1255 7.292,1256 0.4,1257 4.293,1258 0.1,1259 3.374,1260 3.854,1261 2.178,1262 12.402,1263 3.106,1264 1.977,1265 1.942,1266 2.107,1267 2.109,1268 1.331,1269 2.111,1270 1.961,1271 1.925,1272 2.09,1273 2.1,1274 1.298,1275 2.101,1276 1.734,1277 1.676,1278 1.946,1279 1.924,1280 1.204,1281 1.935,1282 1.678,1283 1.614,1284 1.894,1285 1.846,1286 1.108,1287 1.867,1288 1.556,1289 1.511,1290 1.764,1291 1.711,1292 0.885,1293 1.729,1294 1.382,1295 1.309,1296 1.673,1297 1.574,1298 0.768,1299 1.613,1300 1.34,1301 1.259,1302 1.648,1303 1.554,1304 0.639,1305 1.591,1306 1.212,1307 1.129,1308 1.536,1309 1.415,1310 0.631,1311 1.461,1312 4.143,1314 5.46,1316 6.965,1318 8.551,1320 10.177,1322 8.691,1328 4.602,1335 1.566,1340 39.24,1341 84.144,1342 198.605,1343 264.928,1344 280.928,1345 280.928,1346 280.928,1347 77.32,1348 6.978,1349 17.07,1350 17.07,1351 12,1352 12.336,1353 4,1354 3.322,1355 70.073,1356 161,1357 144,1358 0.209,1359 249.143,1360 438.81,1361 599.668,1362 10443,1364 22.2,1365 0.74,1366 0.645,1367 22.2,1368 19.339,1369 14.175,1370 0.457,1371 0.358,1372 10.98,1373 13.83,1374 10.499,1375 8.909,1376 14.175,1377 11.101,1378 13.172,1379 0.306,1380 0.225,1381 13.172,1382 9.686,1383 9.828,1384 0.197,1385 0.123,1386 9.828,1387 6.165,1388 7.347,1389 0.134,1390 0.071,1391 7.347,1392 3.895,1393 5.042,1394 0.081,1395 0.036,1396 5.042,1397 2.218,1398 0.347,1399 87.27,1400 0.227,1401 29.419,1402 0.523,1403 148,1404 290.401,1405 154.988,1406 295.105,1407 400.8,1408 274,1409 167,1410 292.143,1411 175.988,1412 305.849,1413 431.08,1414 284,1415 8.097}
{0 CHEMBL140106,1 1.471,2 11.846,3 2.801,4 7.848,5 100.246,6 7.132,7 0.414,8 3.981,9 4.103,10 3.524,11 3.546,12 5.01,13 3.513,14 4.564,15 4.747,16 3.879,17 3.965,18 5.541,19 3.905,20 4.866,21 5.093,22 3.936,23 4.108,24 5.829,25 4.008,26 4.95,27 5.212,28 3.779,29 4.035,30 5.974,31 3.899,32 4.831,33 5.107,34 3.607,35 3.915,36 5.701,37 3.78,38 4.695,39 4.94,40 3.566,41 3.894,42 5.571,43 3.759,44 4.703,45 4.95,46 3.488,47 3.831,48 5.627,49 3.685,50 4.541,51 4.801,52 3.318,53 3.626,54 5.496,55 3.486,56 0.014,57 0.716,58 10.357,59 4.579,60 5.358,61 6.204,62 0.227,63 1.219,64 20.306,65 7.601,66 16.949,67 10.775,68 0.242,69 1.507,70 28.932,71 10.924,72 32.709,73 15.44,74 0.447,75 1.517,76 33.322,77 11.634,78 84.708,79 16.683,80 0.361,81 1.347,82 29.997,83 9.994,84 56.228,85 14.402,86 0.26,87 1.22,88 25.011,89 9.339,90 36.756,91 13.09,92 0.249,93 1.169,94 25.661,95 9.564,96 49.167,97 13.256,98 0.384,99 1.007,100 22.345,101 7.365,102 50.643,103 10.541,104 5,105 40,106 0.249,107 0.551,108 0.715,109 0.805,110 0.833,111 0.833,112 3.303,113 0.962,114 -3.78,115 -3.74,116 -3.56,121 42.9,123 3,124 1,127 4,144 7,145 2,147 1,148 1,160 2,176 11,179 2,180 8,187 10,191 2,192 8,200 3,205 2,206 10,214 3,219 5,227 7,231 1,232 5,239 11,244 2,251 9,255 2,256 2,264 5,268 1,269 3,277 1,281 966,282 17.913,283 17.913,284 17.913,285 17.913,286 17.913,287 16.277,288 18.402,289 10.688,290 18.143,291 14.312,292 14.312,293 14.312,294 14.312,295 14.312,296 11.821,297 20.885,298 5.093,299 14.644,300 4.144,301 2.363,302 1.391,303 0.863,304 0.694,305 0.694,306 4.005,310 1,311 1,312 1,313 681,314 2.646,317 59.14,318 253.098,321 115.002,325 1.959,326 25.722,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 55.5,338 308,339 4.586,340 3.952,341 6.964,342 4.284,343 3.302,344 4.146,345 1.349,346 11.689,347 3.237,348 3.941,349 3.256,350 5.695,351 3.689,352 2.726,353 3.457,354 0.916,355 7.794,356 2.633,357 3.626,358 3.018,359 5.612,360 3.475,361 2.479,362 2.821,363 0.8,364 7.32,365 2.47,366 3.514,367 2.572,368 5.491,369 3.179,370 2.228,371 2.65,372 0.172,373 6.869,374 2.122,375 3.441,376 2.429,377 5.322,378 3.056,379 2.045,380 2.625,382 6.426,383 2.063,384 3.167,385 2.236,386 4.952,387 3,388 2.026,389 2.239,391 5.853,392 1.944,393 2.836,394 1.82,395 3.714,396 2.425,397 1.432,398 1.952,400 3.079,401 1.421,402 2.787,403 1.514,404 3.618,405 2.368,406 1.39,407 1.881,409 3.028,410 1.356,411 2.5,412 1.35,413 3.594,414 2,415 1,416 1.5,418 2.275,419 1,420 2.48,421 1.261,422 3.434,423 1.984,424 1,425 1.387,427 2.21,428 0.983,429 2.128,430 1.077,431 3.414,432 1.903,433 0.914,434 1,436 2.136,437 0.894,438 2,439 1,440 3.247,441 1.856,442 0.851,443 0.976,445 2.03,446 0.849,447 1.434,448 0.667,449 2.91,450 1.198,451 0.196,452 0.225,454 0.487,455 0.194,456 1.118,457 0.27,458 2.663,459 0.872,460 -0.144,461 -0.174,463 -0.357,464 -0.146,465 0.926,466 -0.03,467 2.343,468 0.438,469 -0.585,470 -0.677,472 -1.318,473 -0.586,474 12.367,475 0.476,476 0.538,477 0.021,478 32,479 1.231,480 15,481 0.577,482 17,483 0.654,484 21.761,485 0.837,486 27.833,487 0.568,488 21.723,489 0.835,490 6.107,491 0.235,492 6.613,493 0.254,494 0.054,496 0.307,501 0.623,502 1.393,503 0.791,504 1.129,505 0.479,506 1.004,507 0.734,508 1.124,509 0.952,510 1.009,511 0.525,512 0.996,513 0.747,514 1.11,515 0.941,516 1.12,517 0.677,518 1.063,519 0.918,520 1.026,521 0.968,522 1.021,523 0.89,524 1.007,525 1.194,526 0.802,527 0.991,528 0.812,529 1.116,530 0.86,531 0.972,532 0.897,533 1.09,534 1.028,535 0.984,536 1.066,537 1.157,538 1.058,539 1.086,540 1.101,541 1.39,542 1.101,543 1.248,544 0.9,545 1.118,546 0.897,547 1.419,548 0.981,549 4,550 0.111,551 2.667,552 2.299,553 0.996,554 0.556,555 0.489,556 0.301,557 0.125,558 0.111,559 9328,560 22262,561 2.148,562 46.9,563 1,564 15,566 1,569 6,572 1.683,573 2.053,574 3.501,575 -0.798,576 1,577 1,582 72.085,583 1.471,584 3.252,585 4.223,586 4.752,587 4.921,588 4.921,589 2.911,590 3.825,591 4.673,592 3.704,593 1203.69,594 8.056,595 15621.5,597 1,599 1,600 275.121,601 1.239,602 4.65,603 0.138,604 0.007,605 0.067,606 0.057,607 0.031,608 0.02,609 0.018,610 0.013,611 0.006,612 0.007,613 0.364,614 0.5,615 1,616 0.465,617 129.641,618 0.009,619 -0.217,620 0.068,621 -0.064,622 0.017,623 -0.005,624 0.071,625 0.014,626 -0.031,627 -0.018,628 0.039,629 -0.033,630 0.093,631 -0.1,632 0.014,633 -0.129,634 0.095,635 -0.077,636 0.126,637 -0.098,638 0.036,639 -0.056,640 0.186,641 -0.027,642 -0.128,643 0.137,644 0.025,645 0.135,646 -0.078,647 0.11,648 -0.078,649 0.075,650 -0.121,651 -0.04,652 -0.102,653 -0.077,654 -0.094,655 -0.153,656 -0.095,657 -0.106,658 -0.156,659 -0.106,660 -0.036,661 0.049,662 -0.095,663 0.046,664 -0.162,665 -0.026,666 1.91,667 5.392,668 0.808,669 25.243,670 0.996,671 1.124,672 2.55,673 6.503,674 0.664,675 3.401,676 3.714,677 4.007,678 4.263,679 4.454,680 4.407,681 4.5,682 4.605,683 4.625,684 4.654,685 7.034,686 0.628,687 349.47,688 3.401,689 4.934,690 5.79,691 6.663,692 7.534,693 8.415,694 9.293,695 10.179,696 11.062,697 11.951,698 6.1,701 1,705 1,708 1,715 8,716 1,720 3,722 12,741 49,743 14,744 1,745 29,747 52,748 21,749 11,750 1,751 5,752 2,756 4,757 5,767 2,768 1,770 3,772 13,773 8,774 1,777 2,782 2,786 2,789 1,790 1,793 23,794 5,796 5,802 3,805 1,808 0.75,809 2,822 1,828 1,829 3,832 1,855 1,859 3,868 26,876 7,880 1,881 2,893 4.1,896 2,901 12.667,902 8.683,903 5.722,904 3.179,907 2.164,908 1.289,909 0.99,910 4.921,911 9.647,912 3.638,913 4.143,914 4.668,915 5.156,916 5.586,917 5.528,918 5.769,919 5.905,920 5.984,921 5.85,922 0.875,923 40,924 9.704,926 4.22,927 0.026,929 7.699,931 18.859,933 16.043,936 2.199,937 57.167,940 1,941 270.735,942 109.945,943 23.034,945 50.29,948 109.945,949 321.025,950 23.034,952 19.151,953 66.334,954 88.256,955 21.3,957 258.964,959 270.735,960 132.979,961 50.29,964 200.109,965 120.916,968 34.079,969 82.114,970 16.786,972 270.735,973 73.324,974 109.945,977 270.735,978 34.564,979 81.63,981 67.075,982 270.735,983 73.324,984 109.945,986 0.578,987 0.345,988 0.19,989 0.101,990 20,991 8,992 0.096,993 5,994 1,995 1.095,996 3.967,997 214.848,998 0.095,999 21,1000 114.211,1005 17.083,1006 7.489,1007 3.628,1009 73.324,1010 15.504,1011 4.067,1015 2.092,1018 454.004,1019 37,1024 24.761,1028 -0.438,1031 48.796,1032 55.066,1034 0.262,1035 0.579,1036 0.752,1037 0.846,1038 0.876,1039 0.876,1040 4.875,1041 1.39,1042 5.759,1043 3.079,1044 4.394,1045 4.828,1046 1.988,1047 6.564,1048 4.352,1049 6.034,1050 1,1051 7.311,1052 3.028,1053 3.892,1054 4.425,1055 0.57,1056 7.459,1057 3.831,1058 7.312,1059 1,1060 8.969,1061 2.275,1062 5.974,1063 6.865,1064 2.147,1065 10.598,1066 5.885,1067 8.625,1068 0.914,1069 10.691,1070 2.21,1071 6.347,1072 7.326,1073 1.104,1074 12.404,1075 6.242,1076 9.976,1077 0.851,1078 12.457,1079 2.136,1080 7.868,1081 9.232,1082 2.46,1083 15.073,1084 7.735,1085 11.356,1086 0.196,1087 14.255,1088 2.03,1089 8.668,1090 10.131,1091 1.71,1092 17.272,1093 8.519,1094 12.76,1095 -0.144,1096 16.078,1097 0.487,1098 9.966,1099 11.797,1100 2.87,1101 19.796,1102 9.793,1103 3.302,1104 -0.585,1105 17.92,1106 -0.357,1107 10.973,1108 12.932,1109 2.357,1110 22.157,1111 10.784,1112 2.726,1113 11.689,1114 19.779,1115 -1.318,1116 12.188,1117 14.479,1118 3.342,1119 24.636,1120 11.977,1121 2.479,1122 7.794,1123 21.652,1124 4.146,1125 13.293,1126 15.742,1127 3.014,1128 27.058,1129 13.064,1130 2.228,1131 7.32,1132 23.536,1133 3.457,1134 14.482,1135 17.226,1136 3.854,1137 29.524,1138 14.233,1139 2.045,1140 6.869,1141 25.431,1142 2.821,1143 15.632,1144 18.56,1145 3.667,1146 31.969,1147 15.364,1148 2.026,1149 6.426,1150 27.333,1151 2.65,1152 16.816,1153 20.012,1154 4.391,1155 34.429,1156 16.528,1157 1.432,1158 5.853,1159 29.243,1160 2.625,1161 17.986,1162 21.385,1163 4.311,1164 36.883,1165 17.68,1166 8673,1167 13577,1168 19.879,1169 32.54,1170 43.706,1171 45.241,1172 44.209,1173 43.194,1174 43.178,1175 53.717,1176 6.475,1177 122.392,1178 42.333,1179 5.586,1180 5.952,1181 6.766,1182 5.323,1183 5.302,1184 7.146,1185 2.549,1186 18.827,1187 5.237,1188 9.048,1189 1.507,1190 1.56,1191 1.524,1192 1.489,1193 1.489,1194 1.852,1195 0.223,1196 4.22,1197 1.46,1198 4.019,1199 4.055,1200 3.98,1201 3.895,1202 7.447,1203 3.905,1204 3.937,1205 3.976,1206 3.86,1207 3.845,1208 7.408,1209 3.849,1210 3.816,1211 3.864,1212 3.701,1213 3.712,1214 4.832,1215 3.703,1216 3.51,1217 3.577,1218 3.408,1219 3.321,1220 4.755,1221 3.331,1222 3.291,1223 3.347,1224 3.172,1225 3.112,1226 4.324,1227 3.12,1228 3.111,1229 3.206,1230 2.953,1231 2.941,1232 3.989,1233 2.91,1234 3.063,1235 3.131,1236 2.885,1237 2.919,1238 3.79,1239 2.902,1240 2.97,1241 2.967,1242 2.866,1243 2.735,1244 3.748,1245 2.76,1246 0.158,1247 0.136,1248 0.24,1249 0.148,1250 0.114,1251 4.586,1252 0.143,1253 3.952,1254 0.047,1255 6.964,1256 0.403,1257 4.284,1258 0.112,1259 3.302,1260 4.146,1261 1.349,1262 11.689,1263 3.237,1264 1.934,1265 1.896,1266 2.1,1267 2.068,1268 1.482,1269 2.082,1270 1.84,1271 1.795,1272 2.013,1273 1.956,1274 1.165,1275 1.977,1276 1.82,1277 1.789,1278 1.909,1279 1.94,1280 1.012,1281 1.931,1282 1.517,1283 1.457,1284 1.736,1285 1.767,1286 0.961,1287 1.752,1288 1.237,1289 1.183,1290 1.513,1291 1.476,1292 0.825,1293 1.468,1294 1.153,1295 1.064,1296 1.463,1297 1.376,1298 0.69,1299 1.429,1300 1.034,1301 0.994,1302 1.245,1303 1.262,1304 0.431,1305 1.276,1306 1.005,1307 0.975,1308 1.181,1309 1.197,1310 0.218,1311 1.167,1312 4.078,1314 5.389,1315 2.398,1316 6.903,1317 4.949,1318 8.502,1319 7.195,1320 10.144,1328 6.759,1332 0.569,1333 3.853,1340 30.762,1341 72.085,1342 159.356,1343 206.94,1344 232.856,1345 241.121,1346 241.121,1347 46.906,1348 7.483,1349 55.2,1350 55.2,1351 23,1352 12.482,1353 3.907,1354 3.17,1355 38.401,1356 112,1357 104,1358 0.168,1359 187.592,1360 330.08,1361 449.485,1362 19614,1364 17.933,1365 0.69,1366 0.569,1367 17.933,1368 14.804,1369 12.72,1370 0.439,1371 0.321,1372 9.195,1373 12.33,1374 9.021,1375 7.435,1376 12.72,1377 9.297,1378 11.198,1379 0.28,1380 0.179,1381 11.198,1382 7.155,1383 9.842,1384 0.182,1385 0.101,1386 9.842,1387 5.448,1388 8.212,1389 0.117,1390 0.056,1391 8.212,1392 3.903,1393 6.576,1394 0.077,1395 0.034,1396 6.576,1397 2.848,1398 0.271,1399 79.081,1400 0.224,1401 25.629,1402 0.438,1403 138,1404 370.406,1405 148.979,1406 358.828,1407 488.75,1408 336,1409 163,1410 354.371,1411 175.561,1412 359.7,1413 530.3,1414 339,1415 7.886}
{0 CHEMBL140328,1 1.379,2 12.423,3 3.649,4 13.317,5 104.741,6 6.814,7 0.414,8 4.01,9 4.139,10 3.519,11 3.583,12 4.994,13 3.537,14 4.586,15 4.777,16 3.848,17 3.998,18 5.496,19 3.92,20 4.897,21 5.133,22 3.898,23 4.16,24 5.748,25 4.038,26 4.986,27 5.263,28 3.737,29 4.081,30 5.836,31 3.923,32 4.863,33 5.152,34 3.596,35 3.964,36 5.63,37 3.809,38 4.725,39 4.984,40 3.529,41 3.929,42 5.505,43 3.77,44 4.729,45 5,46 3.437,47 3.866,48 5.527,49 3.693,50 4.578,51 4.859,52 3.291,53 3.697,54 5.38,55 3.528,56 0.04,57 0.738,58 11.376,59 4.816,60 6.766,61 6.749,62 0.23,63 1.255,64 21.494,65 8.023,66 16.928,67 11.582,68 0.188,69 1.582,70 30.051,71 11.504,72 25.417,73 16.618,74 0.35,75 1.618,76 34.218,77 12.066,78 47.876,79 17.641,80 0.302,81 1.43,82 30.42,83 10.506,84 37.822,85 15.481,86 0.23,87 1.281,88 25.735,89 9.806,90 23.903,91 14.101,92 0.211,93 1.236,94 26.119,95 9.918,96 31.384,97 14.231,98 0.295,99 1.068,100 22.762,101 8.193,102 32.539,103 11.895,104 2,105 39,106 0.232,107 0.525,108 0.683,109 0.791,110 0.841,111 0.841,112 3.303,113 0.983,114 -4.92,115 -4.83,116 -4.53,121 43.1,123 3,124 1,127 4,144 9,145 2,146 1,160 2,176 13,179 2,180 8,187 13,192 8,200 5,205 1,206 12,214 3,219 5,227 7,231 1,232 4,239 12,251 11,255 2,256 2,264 8,269 3,277 3,281 984,282 18.068,283 18.068,284 18.068,285 18.068,286 18.068,287 16.368,288 21.765,289 10.91,290 18.322,291 14.338,292 14.338,293 14.338,294 14.338,295 14.338,296 11.795,297 27.885,298 5.221,299 14.724,300 4.293,301 2.546,302 1.606,303 0.963,304 0.667,305 0.667,306 4.009,310 1,311 1,312 1,313 715,314 2.55,318 322.588,322 124.801,325 2.006,326 16.426,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 54.5,338 323,339 4.428,340 3.736,341 6.626,342 4.089,343 3.108,344 4.015,345 1.257,346 10.497,347 3.047,348 3.941,349 3.018,350 5.678,351 3.69,352 2.727,353 3.457,354 0.916,355 7.797,356 2.634,357 3.665,358 2.71,359 5.611,360 3.484,361 2.492,362 2.874,363 0.78,364 7.478,365 2.475,366 3.567,367 2.581,368 5.324,369 3.302,370 2.342,371 2.629,372 0.219,373 6.898,374 2.24,375 3.221,376 2.428,377 4.954,378 3.017,379 2.061,380 2.363,381 0.172,382 5.859,383 1.961,384 3.15,385 2.192,386 4.715,387 2.72,388 1.756,389 2.234,391 4.88,392 1.684,393 2.867,394 1.645,395 3.691,396 2.439,397 1.446,398 2.002,400 3.09,401 1.434,402 2.814,403 1.515,404 3.594,405 2.408,406 1.414,407 1.907,409 3.037,410 1.403,411 2.5,412 1.321,413 3.512,414 2,415 1,416 1.5,418 2.275,419 1,420 2.474,421 1.107,422 3.414,423 1.984,424 1,425 1.348,427 2.136,428 0.983,429 2.13,430 1.077,431 3.286,432 1.907,433 0.889,434 1,436 2.127,437 0.899,438 2,439 1,440 3.247,441 1.789,442 0.827,443 0.959,445 1.912,446 0.794,447 1.476,448 0.633,449 2.876,450 1.189,451 0.207,452 0.244,454 0.509,455 0.202,456 1.156,457 0.279,458 2.645,459 0.914,460 -0.078,461 -0.094,463 -0.191,464 -0.077,465 0.928,466 -0.176,467 2.341,468 0.538,469 -0.44,470 -0.527,472 -1.06,473 -0.427,474 12.533,475 0.482,476 0.465,477 0.018,478 32.25,479 1.24,480 15.5,481 0.596,482 16.75,483 0.644,484 21.756,485 0.837,486 27.667,487 0.542,488 20.855,489 0.802,490 6.123,491 0.235,492 6.67,493 0.257,494 0.027,496 0.263,501 0.705,502 1.379,503 0.849,504 1.123,505 0.514,506 1.018,507 0.92,508 1.058,509 1.03,510 1.001,511 0.579,512 1.011,513 0.874,514 1.179,515 1.004,516 1.132,517 0.695,518 1.085,519 1.17,520 1.022,521 1.014,522 0.995,523 1.188,524 0.992,525 1.261,526 0.823,527 0.972,528 0.814,529 1.157,530 0.853,531 0.977,532 0.938,533 1.093,534 1.042,535 0.982,536 1.071,537 1.084,538 1.023,539 1.049,540 1.057,541 1.354,542 1.059,543 1.105,544 0.797,545 1.027,546 0.874,547 1.312,548 0.936,549 4,550 0.107,551 2.444,552 1.188,553 1.28,554 0.451,555 0.341,556 0.313,557 0.131,558 0.082,559 9635,560 20801,561 2.172,562 49,563 1,564 17,566 1,569 6,572 1.682,573 2.108,574 3.584,575 -0.836,577 1,582 70.335,583 1.379,584 3.126,585 4.066,586 4.709,587 5.006,588 5.006,589 3.075,590 3.921,591 4.673,592 3.758,593 1221.19,594 8.051,595 15997.3,597 1,599 1,600 289.294,601 1.058,602 4.663,603 0.138,604 0.007,605 0.063,606 0.03,607 0.041,608 0.016,609 0.013,610 0.014,611 0.007,612 0.005,613 0.333,614 0.33,615 1,616 0.362,617 130.272,618 0.039,619 -0.209,620 0.075,621 -0.061,622 0.038,623 -0.004,624 0.051,625 0.08,626 -0.065,627 -0.012,628 0.036,629 -0.042,630 0.003,631 -0.167,632 -0.038,633 -0.14,634 0.085,635 -0.099,636 0.016,637 -0.073,638 -0.009,639 -0.044,640 0.054,641 -0.032,642 -0.116,643 0.13,644 0.037,645 0.128,646 -0.07,647 0.104,648 -0.058,649 0.039,650 -0.119,651 -0.06,652 -0.102,653 -0.089,654 -0.064,655 -0.099,656 -0.066,657 -0.075,658 -0.138,659 -0.073,660 0.032,661 0.148,662 -0.025,663 0.081,664 -0.111,665 0.029,666 1.586,667 5.571,668 0.846,669 25.988,670 0.987,671 1.123,672 3.695,673 13.65,674 0.664,675 3.401,676 3.689,677 3.951,678 4.174,679 4.407,680 4.357,681 4.443,682 4.554,683 4.644,684 4.615,685 7.228,686 0.619,687 347.5,688 3.401,689 4.92,690 5.759,691 6.613,692 7.465,693 8.323,694 9.179,695 10.041,696 10.899,697 11.762,698 5.9,701 1,705 1,707 1,715 9,720 3,722 12,730 1,741 51,743 14,744 2,745 29,747 54,748 22,749 12,750 3,751 9,752 2,756 4,757 5,767 2,768 1,770 3,772 14,773 8,774 1,777 2,782 1,784 1,785 1,786 1,789 1,790 1,793 25,794 4,796 4,802 3,804 1,808 0.75,809 1,829 4,833 1,855 1,859 3,868 26,876 7,880 1,881 2,893 2,896 1,901 12.333,902 8.933,903 5.75,904 3.286,907 2.526,908 1.338,909 0.993,910 5.239,911 10.01,912 3.638,913 4.127,914 4.64,915 5.121,916 5.587,917 5.579,918 5.831,919 6.031,920 6.275,921 6.177,922 1,923 39,924 9.664,926 4.1,927 0.026,929 7.519,931 19.12,933 16.15,936 2.019,937 52.5,939 1,940 1,941 294.278,942 123.764,943 23.034,945 25.145,948 123.764,949 319.422,950 23.034,952 19.151,953 85.286,954 50.239,955 29.038,957 282.506,959 294.278,960 146.798,961 25.145,964 223.651,965 95.772,968 39.061,969 107.737,972 294.278,973 48.179,974 123.764,977 294.278,978 29.859,979 100.153,981 41.93,982 294.278,983 48.179,984 123.764,986 0.572,987 0.334,988 0.18,989 0.099,990 19,991 7,992 0.093,993 5,994 1,995 1.091,996 4.027,997 211.279,998 0.091,999 22,1000 114.211,1005 17.144,1006 7.945,1007 4.116,1009 48.179,1010 18.262,1015 2.885,1018 466.22,1019 37,1024 12.571,1026 1.704,1027 4.419,1028 0.081,1031 50.352,1032 57.272,1034 0.243,1035 0.551,1036 0.717,1037 0.83,1038 0.882,1039 0.882,1040 4.86,1041 1.414,1042 5.707,1043 3.09,1044 4.369,1045 4.812,1046 1.92,1047 6.463,1048 4.319,1049 6.005,1050 1,1051 7.226,1052 3.037,1053 3.761,1054 4.27,1055 0.57,1056 7.244,1057 3.68,1058 7.265,1059 1,1060 8.846,1061 2.275,1062 5.905,1063 6.825,1064 1.944,1065 10.339,1066 5.802,1067 8.555,1068 0.889,1069 10.529,1070 2.136,1071 6.155,1072 7.148,1073 0.968,1074 11.99,1075 6.028,1076 9.881,1077 0.827,1078 12.254,1079 2.127,1080 7.714,1081 9.141,1082 2.117,1083 14.59,1084 7.565,1085 11.232,1086 0.207,1087 14.008,1088 1.912,1089 8.385,1090 9.919,1091 1.383,1092 16.618,1093 8.218,1094 12.605,1095 -0.078,1096 15.785,1097 0.509,1098 9.687,1099 11.638,1100 2.377,1101 19.054,1102 9.498,1103 3.108,1104 -0.44,1105 17.58,1106 -0.191,1107 10.577,1108 12.672,1109 1.834,1110 21.255,1111 10.371,1112 2.727,1113 10.497,1114 19.388,1115 -1.06,1116 11.764,1117 14.242,1118 2.695,1119 23.635,1120 11.537,1121 2.492,1122 7.797,1123 21.208,1124 4.015,1125 12.767,1126 15.423,1127 2.308,1128 25.916,1129 12.523,1130 2.342,1131 7.478,1132 23.039,1133 3.457,1134 13.907,1135 16.91,1136 3.053,1137 28.276,1138 13.643,1139 2.061,1140 6.898,1141 24.878,1142 2.874,1143 14.968,1144 18.177,1145 2.791,1146 30.594,1147 14.686,1148 1.756,1149 5.859,1150 26.725,1151 2.629,1152 16.091,1153 19.618,1154 3.439,1155 32.948,1156 15.79,1157 1.446,1158 4.88,1159 28.578,1160 2.363,1161 17.182,1162 20.934,1163 3.276,1164 35.283,1165 16.862,1166 8912,1167 13227,1168 20.167,1169 33.847,1170 43.293,1171 43.94,1172 43.128,1173 42.575,1174 42.538,1175 53.066,1176 6.689,1177 116.99,1178 41.511,1179 5.428,1180 5.736,1181 6.428,1182 5.161,1183 5.108,1184 7.015,1185 2.38,1186 17.692,1187 5.047,1188 6.398,1189 1.493,1190 1.515,1191 1.487,1192 1.468,1193 1.467,1194 1.83,1195 0.231,1196 4.034,1197 1.431,1198 4.009,1199 4.05,1200 3.955,1201 3.907,1202 7.428,1203 3.911,1204 3.936,1205 3.974,1206 3.859,1207 3.856,1208 4.852,1209 3.852,1210 3.82,1211 3.867,1212 3.705,1213 3.719,1214 4.754,1215 3.708,1216 3.543,1217 3.61,1218 3.44,1219 3.351,1220 4.412,1221 3.365,1222 3.301,1223 3.37,1224 3.173,1225 3.12,1226 4.313,1227 3.126,1228 3.111,1229 3.206,1230 2.983,1231 2.941,1232 3.925,1233 2.91,1234 3.07,1235 3.151,1236 2.89,1237 2.921,1238 3.707,1239 2.905,1240 3.038,1241 3.069,1242 2.866,1243 2.855,1244 3.674,1245 2.871,1246 0.153,1247 0.129,1248 0.228,1249 0.141,1250 0.107,1251 4.428,1252 0.138,1253 3.736,1254 0.043,1255 6.626,1256 0.362,1257 4.089,1258 0.105,1259 3.108,1260 4.015,1261 1.257,1262 10.497,1263 3.047,1264 1.946,1265 1.915,1266 2.103,1267 2.083,1268 1.483,1269 2.09,1270 1.926,1271 1.893,1272 2.03,1273 2.039,1274 1.17,1275 2.037,1276 1.832,1277 1.783,1278 2.002,1279 1.946,1280 1.109,1281 1.968,1282 1.503,1283 1.435,1284 1.733,1285 1.717,1286 0.991,1287 1.727,1288 1.265,1289 1.202,1290 1.513,1291 1.484,1292 0.825,1293 1.49,1294 1.153,1295 1.064,1296 1.483,1297 1.376,1298 0.691,1299 1.429,1300 1.084,1301 1.014,1302 1.356,1303 1.291,1304 0.463,1305 1.324,1306 0.97,1307 0.928,1308 1.181,1309 1.184,1310 0.306,1311 1.17,1312 4.078,1314 5.371,1316 6.872,1318 8.464,1320 10.102,1328 7.57,1332 0.695,1333 4.314,1340 31.574,1341 70.335,1342 159.432,1343 207.38,1344 240.174,1345 255.294,1346 255.294,1347 37.793,1348 7.484,1349 38.13,1350 38.13,1351 24,1352 12.311,1353 3.907,1354 3.17,1355 38.424,1356 115,1357 104,1358 0.162,1359 193.188,1360 338.59,1361 463.14,1362 20235,1364 17.769,1365 0.683,1366 0.579,1367 17.769,1368 15.05,1369 12.793,1370 0.441,1371 0.328,1372 9.411,1373 12.464,1374 9.214,1375 7.624,1376 12.793,1377 9.499,1378 11.109,1379 0.285,1380 0.186,1381 11.109,1382 7.254,1383 9.598,1384 0.188,1385 0.107,1386 9.598,1387 5.466,1388 7.835,1389 0.122,1390 0.06,1391 7.835,1392 3.862,1393 6.491,1394 0.08,1395 0.036,1396 6.491,1397 2.885,1398 0.263,1399 78.976,1400 0.223,1401 25.773,1402 0.42,1403 136,1404 324.671,1405 144.487,1406 320.573,1407 443.51,1408 302,1409 158,1410 326.383,1411 167.819,1412 334.52,1413 487.63,1414 315,1415 5.921}
{0 CHEMBL140476,1 1.399,2 7.3,3 4.044,4 16.357,5 83.838,6 7.698,7 0.478,8 3.715,9 3.834,10 3.329,11 3.378,12 4.711,13 3.322,14 4.289,15 4.451,16 3.774,17 3.851,18 5.208,19 3.77,20 4.621,21 4.815,22 3.881,23 4.047,24 5.524,25 3.933,26 4.713,27 4.962,28 3.793,29 3.977,30 5.599,31 3.84,32 4.597,33 4.853,34 3.527,35 3.834,36 5.459,37 3.673,38 4.483,39 4.779,40 3.411,41 3.651,42 5.262,43 3.455,44 4.142,45 4.395,46 3.005,47 3.369,48 4.997,49 3.152,50 3.826,51 4.129,52 2.773,53 2.966,54 4.57,55 2.706,56 0.035,57 0.509,58 7.43,59 3.406,60 6.55,61 4.693,62 0.052,63 0.878,64 14.641,65 6.551,66 10.061,67 9.066,68 0.124,69 1.208,70 23.259,71 9.077,72 19.867,73 12.543,74 0.234,75 1.319,76 27.096,77 9.852,78 31.119,79 13.882,80 0.204,81 1.19,82 23.247,83 8.276,84 28.549,85 11.682,86 0.166,87 0.957,88 23.659,89 8.76,90 26.07,91 12.353,92 0.156,93 0.668,94 19.424,95 5.989,96 23.156,97 8.086,98 0.09,99 0.435,100 15.378,101 4.965,102 13.163,103 6.728,104 10,105 35,106 0.253,107 0.663,108 0.826,109 0.878,110 0.878,111 0.878,112 3.061,113 0.984,114 -4.87,115 -4.78,116 -4.49,121 45.9,122 1,123 3,124 2,137 1,138 1,144 3,145 2,146 2,148 2,165 1,166 1,167 1,176 11,180 4,185 2,187 19,189 2,192 3,197 2,200 13,203 2,206 5,208 1,209 1,211 5,214 13,216 5,219 1,224 2,227 8,229 2,232 1,237 3,239 12,241 3,251 7,264 6,277 1,281 364,282 13.411,283 13.411,284 13.411,285 13.411,286 13.411,287 11.787,288 13.481,289 7.587,290 13.613,291 11.383,292 11.383,293 11.383,294 11.383,295 11.383,296 8.897,297 11.786,298 3.662,299 11.773,300 3.81,301 1.535,302 0.635,303 0.345,304 0.345,305 0.345,306 3.759,308 1,310 1,311 1,312 1,313 327,314 2.121,318 122.588,320 41.242,322 99.424,324 60.137,325 1.23,326 13.868,328 1,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 41.333,338 146,339 4.673,340 3.492,341 6.939,342 4.287,343 3.302,344 4.585,345 0.68,346 11.686,347 3.253,348 4.143,349 3.058,350 6.232,351 3.822,352 2.836,353 3.62,355 9.285,356 2.796,357 3.805,358 2.843,359 5.533,360 3.403,361 2.433,362 3.122,364 7.367,365 2.362,366 3.543,367 2.523,368 5.363,369 3.178,370 2.201,371 2.908,373 6.745,374 2.151,375 3.398,376 2.456,377 5.096,378 3,379 2.081,380 2.716,382 6.046,383 1.86,384 3.009,385 2.065,386 4.801,387 2.811,388 1.837,389 2.045,391 5.249,392 1.772,393 2.87,394 1.798,395 4.657,396 2.6,397 1.626,398 1.902,400 4.78,401 1.548,402 2.49,403 1.208,404 3.953,405 2.074,406 1.096,407 1.485,409 2.875,410 1.058,411 1.431,412 0.552,413 3.306,414 1.16,415 0.182,416 0.21,418 0.534,419 0.173,420 1.339,421 0.282,422 3,423 0.95,429 1.03,430 0.119,431 2.668,432 0.663,433 -0.245,434 -0.293,436 -0.613,437 -0.18,438 0.687,439 0.009,440 2.491,441 0.567,442 -0.399,443 -0.418,445 -1.016,446 -0.385,447 0.623,448 -0.524,449 2.343,450 0.251,451 -0.688,452 -0.856,454 -1.966,455 -0.619,456 0.352,457 -0.605,458 2.194,459 0.082,460 -0.912,461 -1.011,463 -2.74,464 -0.902,465 0.156,466 -0.918,467 1.916,468 -0.159,469 -1.123,470 -1.48,472 -3.102,473 -0.959,474 10.014,475 0.501,476 0.644,477 0.032,478 24,479 1.2,480 11.5,481 0.575,482 12.5,483 0.625,484 18.457,485 0.923,486 20.586,487 0.556,488 13.956,489 0.698,490 4.099,491 0.205,492 5.515,493 0.276,494 0.161,496 0.449,501 0.755,502 0.972,503 0.634,504 0.802,505 0.923,506 0.819,507 0.563,508 1.074,509 0.624,510 0.889,511 0.475,512 0.875,513 0.901,514 1.216,515 0.922,516 1.099,517 0.865,518 1.085,519 0.751,520 1.1,521 0.755,522 0.979,523 0.794,524 0.977,525 1.192,526 1.01,527 0.866,528 0.954,529 1.38,530 1.063,531 0.45,532 0.866,533 0.631,534 0.832,535 0.487,536 0.833,537 1.626,538 0.922,539 1.581,540 1.201,541 1.694,542 1.224,543 1.056,544 0.752,545 1.232,546 0.918,547 0.893,548 0.883,549 5,551 2,552 2.188,553 1.622,554 0.819,555 0.322,556 0.252,557 0.07,558 0.051,559 3521,560 8183,561 2.163,562 45.9,563 9,564 4,567 2,568 2,572 1.623,573 2,574 2.862,575 0.262,577 1,582 51.776,583 1.399,584 3.674,585 4.574,586 4.865,587 4.865,588 4.865,589 2.461,590 3.546,591 4.297,592 2.934,593 557.498,594 7.366,595 5317.92,597 1,598 1,599 1,600 192.75,601 1.458,602 4.245,603 0.217,605 0.057,606 0.059,607 0.051,608 0.036,609 0.017,610 0.023,611 0.01,612 0.026,613 0.495,614 0.83,615 1,616 0.627,617 85.244,618 -0.069,619 0.128,620 0.018,621 0.103,622 -0.11,623 0.09,624 0.058,625 -0.049,626 0.085,627 0.048,628 0.144,629 0.071,630 -0.058,631 -0.198,632 -0.099,633 -0.163,634 -0.053,635 -0.144,636 0.141,637 -0.089,638 0.039,639 -0.052,640 0.151,641 -0.027,642 -0.214,643 0.046,644 -0.114,645 -0.055,646 -0.259,647 -0.139,648 0.256,649 0.029,650 0.249,651 0.164,652 0.297,653 0.188,654 -0.311,655 0.017,656 -0.306,657 -0.187,658 -0.42,659 -0.24,660 0.085,661 0.048,662 0.179,663 0.183,664 0.088,665 0.191,666 0.948,667 2.468,668 0.85,669 10.84,670 0.989,671 1.115,672 3.644,673 13.278,674 0.702,675 3.178,676 3.584,677 3.912,678 4.29,679 4.605,680 4.804,681 4.942,682 5.153,683 5.182,684 5.257,685 4.302,686 0.651,687 284.81,688 3.178,689 4.762,690 5.652,691 6.581,692 7.487,693 8.421,694 9.334,695 10.27,696 11.185,697 12.123,698 5.4,702 1,708 1,714 2,715 3,716 1,720 4,722 11,733 1,740 1,741 37,743 12,744 1,745 23,747 40,748 17,749 9,750 3,751 3,756 4,757 10,758 1,763 1,767 3,768 2,770 3,772 11,773 6,774 2,777 1,784 1,786 1,790 1,793 17,794 2,795 2,796 3,797 1,802 2,808 0.25,822 1,829 4,831 1,833 2,835 1,849 1,850 1,859 1,864 1,865 1,868 20,869 1,876 3,880 2,892 1,901 10,902 6.926,903 4.139,904 2.358,907 2.745,908 1.368,909 1.043,910 2.664,911 10.201,912 3.418,913 4.103,914 4.727,915 5.382,916 6.012,917 6.445,918 6.857,919 7.325,920 7.675,921 7.84,922 1,923 37,924 7.416,926 3.298,927 0.026,929 7.497,931 14.71,933 13.227,936 1.997,937 39.944,938 0.002,941 176.567,942 74.436,943 49.683,944 39.149,948 74.436,949 215.715,950 49.683,951 8.825,952 7.604,953 70.802,954 16.786,955 20.102,957 176.567,958 39.149,959 176.567,960 124.119,962 39.149,964 176.567,968 21.33,969 76.527,970 65.41,972 176.567,973 49.683,974 113.585,977 176.567,978 27.706,979 46.73,981 88.831,982 176.567,983 49.683,984 113.585,986 0.604,987 0.355,988 0.208,989 0.12,990 21,991 9,994 4,995 1.412,996 3.147,997 169.942,998 0.471,999 16,1000 86.439,1005 12.371,1006 4.308,1007 1.904,1008 1.966,1009 49.683,1010 5.808,1011 4.851,1015 4.113,1017 32.897,1018 339.834,1019 29.5,1026 2.416,1028 1.493,1031 36.596,1032 41.262,1034 0.269,1035 0.705,1036 0.878,1037 0.934,1038 0.934,1039 0.934,1040 4.707,1041 1.096,1042 5.68,1043 4.78,1044 4.263,1045 4.787,1046 0.655,1047 6.564,1048 4.205,1049 5.951,1050 0.182,1051 7.28,1052 2.875,1053 4.007,1054 4.783,1056 7.545,1057 3.904,1058 7.294,1060 8.974,1061 0.534,1062 5.927,1063 7.07,1064 0.356,1065 10.703,1066 5.837,1067 8.666,1068 -0.245,1069 10.721,1071 6.415,1072 7.846,1074 12.497,1075 6.296,1076 10.068,1077 -0.399,1078 12.504,1079 -0.613,1080 7.869,1081 9.67,1082 0.18,1083 15.199,1084 7.756,1085 11.491,1086 -0.688,1087 14.314,1088 -1.016,1089 8.721,1090 10.83,1092 17.365,1093 8.589,1094 12.932,1095 -0.912,1096 16.144,1097 -1.966,1098 9.994,1099 12.468,1100 0.087,1101 19.904,1102 9.86,1103 3.302,1104 -1.123,1105 17.991,1106 -2.74,1107 11.024,1108 13.819,1110 22.234,1111 10.873,1112 2.836,1113 11.686,1114 19.851,1115 -3.102,1116 12.229,1117 15.382,1118 0.041,1119 24.714,1120 12.071,1121 2.433,1122 9.285,1123 21.724,1124 4.585,1125 13.341,1126 16.824,1128 27.115,1129 13.169,1130 2.201,1131 7.367,1132 23.606,1133 3.62,1134 14.525,1135 18.358,1136 0.019,1137 29.575,1138 14.342,1139 2.081,1140 6.745,1141 25.497,1142 3.122,1143 15.676,1144 19.842,1146 32.006,1147 15.478,1148 1.837,1149 6.046,1150 27.394,1151 2.908,1152 16.856,1153 21.367,1154 0.009,1155 34.462,1156 16.645,1157 1.626,1158 5.249,1159 29.297,1160 2.716,1161 18.025,1162 22.87,1164 36.906,1165 17.799,1166 3338,1167 5194,1168 15.433,1169 25.961,1170 35.747,1171 35.891,1172 36.981,1173 35.372,1174 35.189,1175 45.184,1176 1.36,1177 109.137,1178 33.947,1179 5.626,1180 5.492,1181 6.224,1182 5.33,1183 5.302,1184 7.585,1185 1.36,1186 19.262,1187 5.253,1188 9.098,1189 1.554,1190 1.56,1191 1.608,1192 1.538,1193 1.53,1194 1.965,1195 0.059,1196 4.745,1197 1.476,1198 4.135,1199 4.163,1200 4.135,1201 4.07,1202 5.158,1203 4.071,1204 3.873,1205 3.907,1206 3.865,1207 3.813,1208 4.898,1209 3.802,1210 3.472,1211 3.517,1212 3.579,1213 3.389,1214 4.614,1215 3.381,1216 3.273,1217 3.345,1218 3.202,1219 3.14,1220 4.42,1221 3.127,1222 3.138,1223 3.217,1224 3.056,1225 2.989,1226 4.072,1227 2.973,1228 2.989,1229 3.074,1230 2.903,1231 2.836,1232 3.829,1233 2.829,1234 2.745,1235 2.844,1236 2.788,1237 2.603,1238 3.563,1239 2.583,1240 2.68,1241 2.784,1242 2.551,1243 2.448,1244 3.448,1245 2.439,1246 0.203,1247 0.152,1248 0.302,1249 0.186,1250 0.144,1251 4.673,1252 0.199,1253 3.492,1254 0.03,1255 6.939,1256 0.508,1257 4.287,1258 0.141,1259 3.302,1260 4.585,1261 0.68,1262 11.686,1263 3.253,1264 2.095,1265 2.071,1266 2.186,1267 2.179,1268 1.532,1269 2.183,1270 1.88,1271 1.85,1272 1.997,1273 1.967,1274 1.171,1275 1.985,1276 1.47,1277 1.428,1278 1.692,1279 1.607,1280 0.918,1281 1.639,1282 1.269,1283 1.21,1284 1.496,1285 1.464,1286 0.771,1287 1.478,1288 1.15,1289 1.076,1290 1.425,1291 1.357,1292 0.585,1293 1.396,1294 0.968,1295 0.904,1296 1.223,1297 1.209,1298 0.376,1299 1.22,1300 0.753,1301 0.676,1302 1.154,1303 1.003,1304 0.222,1305 1.063,1306 0.712,1307 0.598,1308 1.084,1309 0.99,1310 0.166,1311 1.031,1312 3.85,1314 5.231,1316 6.821,1318 8.518,1320 10.271,1322 2.231,1323 6.079,1326 6.468,1328 3.347,1332 1.172,1340 24.085,1341 51.776,1342 135.941,1343 169.24,1344 179.995,1345 179.995,1346 179.995,1347 25.657,1348 7.456,1349 38.91,1350 38.91,1351 24,1352 12.624,1353 3.7,1354 2.907,1355 26.016,1356 54,1357 50,1358 0.261,1359 148.624,1360 252.79,1361 354.402,1362 15563,1363 2.7,1364 13.853,1365 0.693,1366 0.612,1367 14.353,1368 12.244,1369 9.614,1370 0.418,1371 0.328,1372 7.169,1373 9.211,1374 6.909,1375 5.679,1376 9.903,1377 7.542,1378 9.448,1379 0.27,1380 0.189,1381 9.857,1382 6.598,1383 7.993,1384 0.163,1385 0.1,1386 8.255,1387 4.881,1388 7.551,1389 0.105,1390 0.057,1391 7.786,1392 4.095,1393 6.224,1394 0.063,1395 0.031,1396 6.456,1397 3.05,1398 0.384,1399 61.558,1400 0.255,1401 19.105,1402 0.797,1403 116,1404 245.161,1405 134.6,1406 280.14,1407 387.23,1408 262,1409 142,1410 274.525,1411 155.256,1412 294.045,1413 435.39,1414 278,1415 9.302}
{0 CHEMBL140737,1 1.386,2 13.194,3 5.687,4 32.344,5 123.985,6 6.943,7 0.529,8 4.16,9 4.284,10 3.673,11 3.751,12 5.191,13 3.702,14 4.717,15 4.899,16 3.995,17 4.144,18 5.701,19 4.067,20 5.041,21 5.275,22 4.047,23 4.297,24 5.959,25 4.179,26 5.122,27 5.385,28 3.96,29 4.266,30 6.013,31 4.127,32 5.085,33 5.346,34 3.983,35 4.272,36 5.965,37 4.145,38 5.071,39 5.308,40 4.024,41 4.342,42 6.065,43 4.203,44 5.122,45 5.372,46 3.943,47 4.351,48 5.971,49 4.188,50 5.087,51 5.356,52 3.827,53 4.234,54 5.965,55 4.063,56 0.034,57 0.88,58 12.903,59 5.909,60 7.256,61 7.924,62 0.191,63 1.481,64 24.062,65 9.704,66 21.674,67 13.401,68 0.249,69 1.927,70 34.988,71 13.619,72 41.677,73 18.867,74 0.35,75 1.945,76 39.179,77 14.49,78 57.423,79 20.279,80 0.353,81 1.832,82 37.558,83 13.937,84 54.696,85 19.636,86 0.495,87 1.885,88 36.214,89 14.653,90 77.728,91 20.389,92 0.241,93 1.926,94 38.067,95 16.054,96 49.456,97 22.199,98 0.348,99 1.926,100 37.81,101 15.009,102 60.601,103 20.737,104 5,105 45,106 0.224,107 0.484,108 0.64,109 0.768,110 0.814,111 0.82,112 3.471,113 0.977,114 -6.45,115 -6.27,116 -5.82,121 45,123 3,124 1,127 4,144 14,145 2,146 2,160 1,176 17,179 1,180 8,187 17,192 10,200 7,206 13,214 7,219 4,227 18,231 1,232 3,239 29,251 23,255 1,256 4,264 11,269 6,277 1,281 1819,282 21.344,283 21.344,284 21.344,285 21.344,286 21.344,287 19.023,288 21.572,289 12.982,290 21.598,291 16.804,292 16.804,293 16.804,294 16.804,295 16.804,296 13.484,297 26.357,298 6.231,299 17.227,300 4.521,301 2.912,302 1.943,303 1.15,304 0.867,305 0.833,306 4.171,312 1,313 887,314 3.464,318 480.49,325 1.877,326 25.245,329 0.75,330 0.83,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.78,337 65.5,338 409,339 4.335,340 3.728,341 6.61,342 4.047,343 3.076,344 3.833,345 1.2,346 10.445,347 2.986,348 3.966,349 3.018,350 5.742,351 3.688,352 2.724,353 3.52,354 0.916,355 7.795,356 2.633,357 3.94,358 2.901,359 5.616,360 3.556,361 2.58,362 3.457,363 0.293,364 7.717,365 2.517,366 3.627,367 2.736,368 5.329,369 3.458,370 2.461,371 3.011,372 0.172,373 6.942,374 2.45,375 3.599,376 2.553,377 5.03,378 3.184,379 2.222,380 2.639,382 5.994,383 2.118,384 3.203,385 2.233,386 4.955,387 3.034,388 2.08,389 2.347,391 5.868,392 1.973,393 3.091,394 1.976,395 4.591,396 2.727,397 1.758,398 2.215,400 4.592,401 1.695,402 2.823,403 1.793,404 3.705,405 2.417,406 1.422,407 1.923,409 3.045,410 1.414,411 2.718,412 1.517,413 3.594,414 2.23,415 1.233,416 1.756,418 2.847,419 1.223,420 2.5,421 1.221,422 3.472,423 2,424 1,425 1.5,427 2.283,428 1,429 2.5,430 1.077,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.5,439 1,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.216,448 1,449 3.247,450 1.984,451 1,452 1.108,454 2.136,455 0.983,456 2,457 1,458 3.247,459 1.955,460 0.948,461 1,463 2.136,464 0.945,465 1.478,466 0.59,467 2.996,468 1.291,469 0.303,470 0.341,472 0.754,473 0.297,474 14.919,475 0.481,476 0.571,477 0.018,478 39,479 1.258,480 20,481 0.645,482 19,483 0.613,484 27.146,485 0.876,486 33.081,487 0.551,488 28.85,489 0.931,490 7.663,491 0.247,492 7.524,493 0.243,494 0.041,496 0.255,499 1,501 0.579,502 1.144,503 0.825,504 1.076,505 0.497,506 1,507 0.744,508 1.08,509 0.998,510 1.068,511 0.527,512 1.058,513 0.91,514 1.074,515 1.021,516 1.083,517 0.744,518 1.063,519 1.021,520 0.925,521 1.001,522 0.977,523 0.96,524 0.981,525 0.934,526 0.727,527 0.913,528 0.821,529 0.902,530 0.851,531 0.582,532 0.77,533 0.993,534 1.005,535 0.646,536 1.045,537 0.651,538 0.939,539 0.995,540 1.099,541 0.799,542 1.103,543 0.869,544 1.02,545 1.021,546 1.052,547 0.953,548 1.062,549 5,550 0.173,551 2.889,552 1.5,553 1.347,554 0.771,555 0.565,556 0.387,557 0.237,558 0.201,559 14226,560 33726,561 2.123,562 48.3,563 1,564 22,569 6,572 1.736,573 2.044,574 3.632,575 -0.863,582 83.15,583 1.386,584 2.995,585 3.964,586 4.757,587 5.04,588 5.074,589 3.088,590 4.285,591 4.923,592 3.831,593 1781.43,594 8.6,595 26351.3,600 354.413,601 1.14,602 4.91,603 0.147,604 0.008,605 0.064,606 0.033,607 0.034,608 0.018,609 0.013,610 0.01,611 0.007,612 0.007,613 0.341,614 0.5,615 0.88,616 0.415,617 163.217,618 0.014,619 -0.108,620 0.055,621 -0.029,622 0.002,623 0.007,624 0.013,625 -0.063,626 -0.071,627 -0.081,628 0.046,629 -0.085,630 -0.035,631 -0.097,632 -0.056,633 -0.108,634 0.037,635 -0.087,636 -0.054,637 -0.039,638 -0.011,639 -0.026,640 -0.004,641 -0.014,642 -0.063,643 0.097,644 0.065,645 0.128,646 -0.027,647 0.118,648 0.17,649 0.102,650 -0.046,651 -0.018,652 0.133,653 -0.053,654 -0.004,655 -0.114,656 -0.057,657 -0.098,658 -0.056,659 -0.09,660 0.015,661 -0.092,662 -0.042,663 -0.069,664 -0.04,665 -0.068,666 1.995,667 6.18,668 0.774,669 34.937,670 0.99,671 1.123,672 5.216,673 27.202,674 0.668,675 3.555,676 3.829,677 4.06,678 4.263,679 4.489,680 4.443,681 4.533,682 4.635,683 4.691,684 4.745,685 7.648,686 0.625,687 416.58,688 3.555,689 5.069,690 5.894,691 6.739,692 7.579,693 8.429,694 9.275,695 10.128,696 10.977,697 11.832,698 3.3,701 1,705 1,715 14,720 4,722 18,730 1,740 1,741 60,743 19,744 3,745 34,747 63,748 27,749 18,750 4,751 14,752 1,756 4,757 4,767 2,768 1,770 3,772 19,773 8,774 1,777 1,782 1,786 1,791 1,793 29,794 4,796 4,802 2,808 1,809 1,829 4,855 1,859 4,866 1,868 31,876 7,880 1,881 2,892 1,893 1.7,896 1,901 15.167,902 10.46,903 6.917,904 3.793,907 2.04,908 1.277,909 0.987,910 7.245,911 9.414,912 3.807,913 4.311,914 4.794,915 5.253,916 5.728,917 5.637,918 5.832,919 6.048,920 6.237,921 6.443,922 0.889,923 45,924 11.544,926 4.883,927 0.026,929 7.667,931 22.5,933 18.707,936 2.167,937 67.167,941 341.362,942 171.647,943 6.249,945 25.145,946 14.96,948 171.647,949 366.507,950 21.209,952 19.151,953 132.667,954 29.85,955 21.373,956 14.96,957 341.362,959 341.362,960 177.896,961 40.105,964 285.695,965 95.772,968 22.275,969 155.621,972 356.322,973 31.394,974 171.647,977 341.362,978 38.98,979 138.916,981 40.105,982 341.362,983 46.354,984 171.647,986 0.569,987 0.325,988 0.172,989 0.097,990 20,991 8,992 0.111,993 7,995 1,996 4.376,997 268.556,999 24,1000 137.58,1005 21.428,1006 10.481,1007 5.878,1009 46.354,1010 26.21,1015 2.437,1018 559.363,1019 44,1024 13.18,1028 -0.076,1031 59.414,1032 67.359,1034 0.235,1035 0.507,1036 0.671,1037 0.805,1038 0.853,1039 0.859,1040 5.014,1041 1.422,1042 5.838,1043 4.592,1044 4.511,1045 4.997,1046 1.683,1047 6.572,1048 4.462,1049 6.163,1050 1.233,1051 7.345,1052 3.045,1053 3.892,1054 4.443,1055 0.57,1056 7.318,1057 3.78,1058 7.419,1059 1,1060 8.953,1061 2.847,1062 6.028,1063 7.019,1064 1.703,1065 10.401,1066 5.924,1067 8.704,1068 1,1069 10.623,1070 2.283,1071 6.256,1072 7.268,1073 0.877,1074 12.027,1075 6.092,1076 10.022,1077 1,1078 12.335,1079 2.275,1080 7.811,1081 9.305,1082 1.856,1083 14.614,1084 7.649,1085 11.362,1086 1,1087 14.077,1088 2.275,1089 8.45,1090 9.955,1091 1.159,1092 16.624,1093 8.237,1094 12.719,1095 0.948,1096 15.843,1097 2.136,1098 9.747,1099 11.725,1100 2.065,1101 19.048,1102 9.526,1103 3.076,1104 0.303,1105 17.627,1106 2.136,1107 10.604,1108 12.607,1109 1.472,1110 21.236,1111 10.337,1112 2.724,1113 10.445,1114 19.426,1115 0.754,1116 11.781,1117 14.218,1118 2.309,1119 23.606,1120 11.5,1121 2.58,1122 7.795,1123 21.237,1124 3.833,1125 12.754,1126 15.248,1127 1.815,1128 25.877,1129 12.432,1130 2.461,1131 7.717,1132 23.06,1133 3.52,1134 13.881,1135 16.757,1136 2.579,1137 28.229,1138 13.537,1139 2.222,1140 6.942,1141 24.891,1142 3.457,1143 14.917,1144 17.885,1145 2.18,1146 30.539,1147 14.536,1148 2.08,1149 5.994,1150 26.731,1151 3.011,1152 16.025,1153 19.329,1154 2.868,1155 32.886,1156 15.618,1157 1.758,1158 5.868,1159 28.577,1160 2.639,1161 17.094,1162 20.524,1163 2.556,1164 35.214,1165 16.653,1166 13391,1167 20802,1168 23.345,1169 40.063,1170 50.171,1171 51.02,1172 50.695,1173 49.758,1174 49.616,1175 63.302,1176 5.163,1177 134.204,1178 48.465,1179 5.335,1180 5.728,1181 6.412,1182 5.082,1183 5.076,1184 6.833,1185 2.293,1186 17.578,1187 4.986,1188 10.449,1189 1.476,1190 1.501,1191 1.491,1192 1.463,1193 1.459,1194 1.862,1195 0.152,1196 3.947,1197 1.425,1198 4.009,1199 4.05,1200 3.945,1201 3.912,1202 8.201,1203 3.913,1204 3.929,1205 3.965,1206 3.855,1207 3.851,1208 7.428,1209 3.847,1210 3.858,1211 3.889,1212 3.794,1213 3.793,1214 4.772,1215 3.788,1216 3.812,1217 3.859,1218 3.697,1219 3.712,1220 4.744,1221 3.701,1222 3.491,1223 3.559,1224 3.389,1225 3.302,1226 4.594,1227 3.31,1228 3.265,1229 3.316,1230 3.17,1231 3.076,1232 4.321,1233 3.092,1234 3.111,1235 3.206,1236 2.923,1237 2.941,1238 3.999,1239 2.91,1240 3.067,1241 3.124,1242 2.866,1243 2.908,1244 3.766,1245 2.904,1246 0.128,1247 0.11,1248 0.194,1249 0.119,1250 0.09,1251 4.335,1252 0.113,1253 3.728,1254 0.035,1255 6.61,1256 0.307,1257 4.047,1258 0.088,1259 3.076,1260 3.833,1261 1.2,1262 10.445,1263 2.986,1264 1.945,1265 1.911,1266 2.104,1267 2.079,1268 1.483,1269 2.089,1270 1.922,1271 1.891,1272 2.036,1273 2.029,1274 1.176,1275 2.032,1276 1.858,1277 1.83,1278 2,1279 1.95,1280 1.114,1281 1.967,1282 1.826,1283 1.777,1284 1.969,1285 1.935,1286 1.039,1287 1.951,1288 1.46,1289 1.39,1290 1.709,1291 1.674,1292 0.963,1293 1.689,1294 1.207,1295 1.154,1296 1.513,1297 1.43,1298 0.825,1299 1.432,1300 1.153,1301 1.064,1302 1.453,1303 1.376,1304 0.682,1305 1.429,1306 1.041,1307 0.994,1308 1.24,1309 1.258,1310 0.428,1311 1.259,1312 4.234,1314 5.517,1316 6.999,1318 8.56,1320 10.159,1324 13.305,1328 7.144,1332 0.61,1333 4.355,1340 37.516,1341 83.15,1342 179.694,1343 237.826,1344 285.394,1345 302.413,1346 304.413,1347 57.92,1348 7.374,1349 23.55,1350 23.55,1351 24,1352 12.387,1353 4.322,1354 3.459,1355 49.459,1356 139,1357 153,1358 0.166,1359 229.699,1360 403.98,1361 552.226,1362 16011,1363 1.7,1364 21.468,1365 0.693,1366 0.574,1367 20.598,1368 17.791,1369 15.187,1370 0.447,1371 0.326,1372 10.98,1373 14.807,1374 10.75,1375 8.907,1376 14.793,1377 11.076,1378 13.145,1379 0.292,1380 0.184,1381 12.523,1382 8.293,1383 11.001,1384 0.193,1385 0.107,1386 10.59,1387 6.121,1388 8.73,1389 0.125,1390 0.061,1391 8.578,1392 4.291,1393 7.205,1394 0.082,1395 0.036,1396 6.988,1397 3.175,1398 0.265,1399 93.713,1400 0.207,1401 29.58,1402 0.441,1403 158,1404 435.137,1405 168.874,1406 403.412,1407 544.74,1408 378,1409 181,1410 390.603,1411 192.064,1412 394.25,1413 571.35,1414 372,1415 7.745}
{0 CHEMBL140769,1 1.249,2 12.633,3 5.944,4 35.329,5 124.798,6 6.131,7 0.364,8 4.237,9 4.375,10 3.647,11 3.805,12 5.111,13 3.732,14 4.848,15 5.053,16 3.96,17 4.232,18 5.629,19 4.117,20 5.206,21 5.469,22 4.016,23 4.403,24 5.917,25 4.242,26 5.27,27 5.554,28 3.952,29 4.36,30 6.029,31 4.189,32 5.204,33 5.48,34 3.977,35 4.344,36 6.001,37 4.194,38 5.191,39 5.444,40 3.981,41 4.424,42 5.959,43 4.258,44 5.278,45 5.549,46 3.914,47 4.458,48 5.974,49 4.258,50 5.268,51 5.565,52 3.755,53 4.366,54 5.907,55 4.139,56 0.073,57 0.914,58 16.073,59 6.796,60 9.017,61 9.732,62 0.237,63 1.574,64 29.531,65 11.496,66 18.735,67 16.897,68 0.281,69 2.054,70 41.413,71 15.855,72 27.386,73 23.313,74 0.372,75 2.081,76 44.306,77 16.07,78 44.408,79 23.643,80 0.381,81 1.967,82 41.727,83 15.082,84 47.471,85 22.059,86 0.32,87 2.002,88 40.861,89 16.418,90 37.48,91 23.458,92 0.264,93 2.112,94 43.76,95 18.402,96 36.608,97 26.206,98 0.324,99 2.046,100 43.068,101 17.511,102 38.268,103 25.384,104 2,105 43,106 0.2,107 0.44,108 0.609,109 0.753,110 0.807,111 0.812,112 3.44,113 1.084,114 -6.04,115 -5.89,116 -5.48,121 40.9,123 8,124 2,127 4,144 10,145 1,146 1,160 1,176 19,179 1,180 8,187 19,192 10,200 8,206 13,214 7,219 6,227 18,231 1,232 3,239 29,251 26,255 1,256 4,264 14,269 6,277 4,281 1604,282 20.897,283 20.897,284 20.897,285 20.897,286 20.897,287 19.313,288 21.699,289 12.896,290 21.088,291 16.338,292 16.338,293 16.338,294 16.338,295 16.338,296 14.055,297 27.704,298 6.195,299 16.635,300 4.795,301 3.294,302 2.239,303 1.341,304 1,305 0.97,306 4.142,312 1,313 825,314 3.391,318 461.176,325 1.907,326 16.321,329 0.75,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.94,337 62,338 379,339 4.262,340 3.844,341 6.609,342 4.042,343 3.072,344 3.641,345 1.94,346 10.443,347 2.982,348 3.941,349 3.018,350 5.73,351 3.687,352 2.724,353 3.457,354 0.916,355 7.792,356 2.632,357 3.764,358 2.795,359 5.616,360 3.51,361 2.517,362 3.073,363 0.555,364 7.663,365 2.494,366 3.603,367 2.554,368 5.329,369 3.453,370 2.457,371 2.637,372 0.172,373 6.942,374 2.443,375 3.208,376 2.234,377 4.955,378 3.04,379 2.084,380 2.295,382 5.869,383 1.983,384 3.105,385 2.2,386 4.667,387 2.89,388 1.9,389 2.202,391 4.808,392 1.876,393 2.824,394 1.8,395 3.861,396 2.518,397 1.52,398 1.923,400 3.293,401 1.514,402 2.803,403 1.517,404 3.595,405 2.416,406 1.421,407 1.841,409 3.043,410 1.413,411 2.5,412 1.382,413 3.51,414 2.158,415 1.171,416 1.5,418 2.705,419 1.154,420 2.5,421 1.221,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.352,430 1.077,431 3.366,432 2,433 1,434 1.339,436 2.136,437 1,438 2.075,439 1,440 3.247,441 2,442 1,443 1,445 2.136,446 1,447 2,448 1,449 3.247,450 1.984,451 1,452 1,454 2.136,455 0.983,456 2,457 1,458 3.247,459 1.88,460 0.861,461 0.951,463 2.047,464 0.87,465 1.473,466 0.579,467 2.958,468 1.275,469 0.279,470 0.315,472 0.693,473 0.276,474 14.633,475 0.488,476 0.465,477 0.016,478 32.25,479 1.075,480 14,481 0.467,482 18.25,483 0.608,484 31.935,485 1.065,486 33.367,487 0.506,488 20.963,489 0.699,490 5.542,491 0.185,492 9.25,493 0.308,494 0.023,496 0.226,501 0.725,502 1.357,503 0.987,504 1.183,505 0.525,506 1.113,507 0.931,508 1.223,509 1.127,510 1.147,511 0.579,512 1.141,513 1.052,514 1.125,515 1.039,516 1.074,517 0.85,518 1.053,519 1.562,520 1.012,521 1.021,522 0.957,523 1.584,524 0.953,525 1.822,526 0.856,527 1.014,528 0.834,529 1.898,530 0.864,531 1.269,532 0.97,533 1.127,534 1.05,535 1.393,536 1.076,537 0.891,538 1.076,539 1.066,540 1.12,541 1.165,542 1.115,543 0.743,544 1.019,545 1.014,546 1.046,547 0.883,548 1.052,549 4,550 0.128,551 2.444,552 1.438,553 1.156,554 0.66,555 0.485,556 0.293,557 0.171,558 0.131,559 13121,560 23678,561 2.148,562 54.5,563 11,564 18,568 1,569 6,572 1.728,573 2.093,574 3.575,575 -0.891,582 82.431,583 1.249,584 2.75,585 3.806,586 4.703,587 5.044,588 5.075,589 3.007,590 4.215,591 4.877,592 3.782,593 1645.34,594 8.505,595 23787.2,600 398.93,601 0.982,602 4.873,603 0.121,604 0.006,605 0.057,606 0.033,607 0.03,608 0.016,609 0.012,610 0.008,611 0.006,612 0.005,613 0.293,614 0.5,615 0.88,616 0.327,617 156.223,618 0.06,619 -0.129,620 0.069,621 -0.025,622 0.051,623 0.013,624 0.054,625 -0.069,626 -0.088,627 -0.093,628 0.027,629 -0.098,630 -0.007,631 -0.095,632 -0.036,633 -0.085,634 0.021,635 -0.064,636 -0.058,637 -0.031,638 -0.003,639 -0.013,640 -0.021,641 -0.006,642 -0.143,643 0.143,644 0.021,645 0.116,646 -0.092,647 0.086,648 -0.096,649 0.05,650 -0.118,651 -0.039,652 -0.102,653 -0.073,654 -0.043,655 -0.115,656 -0.098,657 -0.105,658 -0.097,659 -0.107,660 0.048,661 -0.081,662 -0.058,663 -0.068,664 -0.043,665 -0.072,666 1.303,667 6.344,668 0.8,669 32.364,670 0.978,671 1.125,672 4.807,673 23.109,674 0.643,675 3.526,676 3.784,677 4.025,678 4.234,679 4.443,680 4.369,681 4.489,682 4.575,683 4.635,684 4.673,685 7.462,686 0.587,687 404.65,688 3.526,689 5.03,690 5.855,691 6.696,692 7.534,693 8.381,694 9.226,695 10.076,696 10.924,697 11.776,698 3,701 1,705 1,715 10,720 2,722 12,741 66,743 13,744 2,745 33,747 69,748 27,749 12,750 2,751 10,756 4,757 4,767 7,768 2,770 8,772 13,773 14,774 2,777 1,782 1,786 1,793 36,794 3,796 3,802 2,808 1,809 1,829 4,844 1,855 1,859 4,868 30,876 12,880 2,881 2,893 1.5,896 1,901 14.333,902 11.317,903 6.75,904 4.556,907 1.556,908 1.213,909 0.969,910 7.721,911 8.856,912 3.714,913 4.143,914 4.57,915 4.982,916 5.392,917 5.208,918 5.438,919 5.625,920 5.662,921 5.772,922 1,923 43,924 11.228,926 4.711,927 0.026,929 7.389,931 22.717,933 19.394,936 1.889,937 56.667,941 423.76,942 134.109,943 6.249,945 25.145,948 134.109,949 448.905,950 6.249,952 31.823,953 94.762,954 29.85,955 9.067,957 423.76,959 423.76,960 140.357,961 25.145,964 353.133,965 95.772,968 34.948,969 105.409,972 423.76,973 31.394,974 134.109,977 423.76,978 39.346,979 101.011,981 25.145,982 423.76,983 31.394,984 134.109,986 0.562,987 0.325,988 0.177,989 0.098,990 19,991 7,992 0.101,993 7,995 1,996 4.32,997 256.329,999 24,1000 131.207,1005 21.278,1006 10.885,1007 6.035,1009 31.394,1010 21.135,1015 2.485,1018 589.262,1019 40,1024 13.344,1028 0.363,1031 64.552,1032 74.264,1034 0.207,1035 0.455,1036 0.63,1037 0.778,1038 0.835,1039 0.84,1040 4.927,1041 1.421,1042 5.784,1043 3.293,1044 4.466,1045 4.828,1046 2.218,1047 6.512,1048 4.429,1049 6.034,1050 1.171,1051 7.283,1052 3.043,1053 3.761,1054 4.159,1055 1.738,1056 7.244,1057 3.68,1058 7.269,1059 1,1060 8.886,1061 2.705,1062 5.969,1063 6.733,1064 3.016,1065 10.351,1066 5.883,1067 8.532,1068 1,1069 10.556,1070 2.275,1071 6.155,1072 6.895,1073 3.151,1074 11.99,1075 6.02,1076 9.833,1077 1,1078 12.271,1079 2.136,1080 7.749,1081 8.928,1082 4.143,1083 14.585,1084 7.608,1085 11.157,1086 1,1087 14.019,1088 2.136,1089 8.373,1090 9.495,1091 4.544,1092 16.606,1093 8.183,1094 12.5,1095 0.861,1096 15.792,1097 2.136,1098 9.689,1099 11.269,1100 5.384,1101 19.033,1102 9.488,1103 3.072,1104 0.279,1105 17.582,1106 2.047,1107 10.542,1108 12.065,1109 5.913,1110 21.226,1111 10.295,1112 2.724,1113 10.443,1114 19.388,1115 0.693,1116 11.73,1117 13.686,1118 6.67,1119 23.597,1120 11.465,1121 2.517,1122 7.792,1123 21.205,1124 3.641,1125 12.703,1126 14.627,1127 7.263,1128 25.871,1129 12.396,1130 2.457,1131 7.663,1132 23.032,1133 3.457,1134 13.836,1135 16.147,1136 7.976,1137 28.223,1138 13.505,1139 2.084,1140 6.942,1141 24.868,1142 3.073,1143 14.873,1144 17.187,1145 8.603,1146 30.534,1147 14.503,1148 1.9,1149 5.869,1150 26.711,1151 2.637,1152 15.984,1153 18.637,1154 9.292,1155 32.881,1156 15.588,1157 1.52,1158 4.808,1159 28.561,1160 2.295,1161 17.054,1162 19.745,1163 9.936,1164 35.209,1165 16.622,1166 12294,1167 16604,1168 22.94,1169 42.41,1170 48.455,1171 48.971,1172 48.755,1173 48.071,1174 48.009,1175 57.346,1176 7.169,1177 127.957,1178 47.239,1179 5.262,1180 5.844,1181 6.411,1182 5.078,1183 5.072,1184 6.641,1185 3.348,1186 17.573,1187 4.982,1188 6.879,1189 1.468,1190 1.484,1191 1.477,1192 1.457,1193 1.455,1194 1.738,1195 0.217,1196 3.877,1197 1.431,1198 4.004,1199 4.051,1200 3.918,1201 3.9,1202 7.427,1203 3.897,1204 3.921,1205 3.962,1206 3.845,1207 3.84,1208 4.77,1209 3.836,1210 3.836,1211 3.885,1212 3.717,1213 3.745,1214 4.743,1215 3.732,1216 3.812,1217 3.859,1218 3.695,1219 3.71,1220 4.327,1221 3.699,1222 3.5,1223 3.567,1224 3.377,1225 3.311,1226 4.23,1227 3.317,1228 3.302,1229 3.36,1230 3.171,1231 3.121,1232 3.996,1233 3.124,1234 3.111,1235 3.206,1236 2.929,1237 2.959,1238 3.767,1239 2.94,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.674,1245 2.91,1246 0.129,1247 0.116,1248 0.2,1249 0.122,1250 0.093,1251 4.262,1252 0.11,1253 3.844,1254 0.059,1255 6.609,1256 0.316,1257 4.042,1258 0.09,1259 3.072,1260 3.641,1261 1.94,1262 10.443,1263 2.982,1264 1.943,1265 1.903,1266 2.113,1267 2.083,1268 1.494,1269 2.094,1270 1.919,1271 1.884,1272 2.091,1273 2.043,1274 1.475,1275 2.059,1276 1.854,1277 1.808,1278 2.023,1279 1.971,1280 1.172,1281 1.993,1282 1.826,1283 1.777,1284 1.994,1285 1.938,1286 1.099,1287 1.96,1288 1.47,1289 1.401,1290 1.716,1291 1.685,1292 0.966,1293 1.699,1294 1.27,1295 1.213,1296 1.519,1297 1.487,1298 0.83,1299 1.497,1300 1.153,1301 1.064,1302 1.513,1303 1.376,1304 0.825,1305 1.429,1306 1.153,1307 1.064,1308 1.513,1309 1.376,1310 0.825,1311 1.429,1312 4.205,1314 5.476,1316 6.952,1318 8.509,1320 10.105,1328 13.705,1332 0.953,1333 4.681,1340 38.713,1341 82.431,1342 181.525,1343 251.181,1344 310.401,1345 332.93,1346 334.93,1347 51.594,1348 7.3,1349 23.55,1350 23.55,1351 24,1352 12.333,1353 3.807,1354 3,1355 47.086,1356 133,1357 142,1358 0.167,1359 237.283,1360 416.73,1361 570.731,1362 14646,1364 20.598,1365 0.687,1366 0.607,1367 20.598,1368 18.216,1369 14.793,1370 0.448,1371 0.361,1372 11.85,1373 14.531,1374 11.601,1375 9.622,1376 14.793,1377 11.921,1378 12.523,1379 0.291,1380 0.213,1381 12.523,1382 9.154,1383 10.59,1384 0.193,1385 0.127,1386 10.59,1387 7.005,1388 8.578,1389 0.126,1390 0.075,1391 8.578,1392 5.131,1393 6.988,1394 0.083,1395 0.046,1396 6.988,1397 3.886,1398 0.267,1399 90.484,1400 0.209,1401 28.786,1402 0.444,1403 152,1404 309.026,1405 159.044,1406 306.739,1407 425.26,1408 290,1409 174,1410 311.27,1411 182.154,1412 318.695,1413 462.83,1414 302,1415 5.027}
{0 CHEMBL140770,1 1.44,2 13.071,3 3.507,4 12.3,5 109.238,6 7.009,7 0.387,8 4.073,9 4.189,10 3.598,11 3.623,12 5.098,13 3.591,14 4.658,15 4.838,16 3.949,17 4.041,18 5.625,19 3.982,20 4.934,21 5.147,22 4.02,23 4.201,24 5.882,25 4.106,26 5.052,27 5.303,28 3.893,29 4.155,30 6.059,31 4.024,32 4.964,33 5.234,34 3.781,35 4.046,36 5.871,37 3.913,38 4.823,39 5.062,40 3.743,41 4.014,42 5.759,43 3.886,44 4.834,45 5.071,46 3.615,47 3.945,48 5.811,49 3.81,50 4.665,51 4.905,52 3.422,53 3.769,54 5.635,55 3.626,56 0.015,57 0.752,58 11.751,59 5.272,60 6.351,61 7.003,62 0.281,63 1.276,64 23.008,65 8.698,66 21.412,67 12,68 0.188,69 1.585,70 30.972,71 12.043,72 28.552,73 16.671,74 0.434,75 1.678,76 36.667,77 13.001,78 82.683,79 18.395,80 0.523,81 1.517,82 34.206,83 11.686,84 65.949,85 16.77,86 0.353,87 1.368,88 28.545,89 10.779,90 44.846,91 15.084,92 0.359,93 1.308,94 29.589,95 10.622,96 61.603,97 14.453,98 0.438,99 1.106,100 25.187,101 8.79,102 59.685,103 12.098,104 11,105 43,106 0.239,107 0.529,108 0.706,109 0.799,110 0.83,111 0.836,112 3.374,113 0.964,114 -4.48,115 -4.41,116 -4.15,121 42.6,123 3,124 1,126 1,127 4,144 8,145 3,146 1,160 2,176 13,179 2,180 10,187 13,192 12,200 5,205 1,206 12,214 4,218 2,219 4,227 9,231 2,232 4,239 14,244 1,251 11,255 2,256 4,264 5,269 6,277 1,281 1212,282 19.231,283 19.231,284 19.231,285 19.231,286 19.231,287 17.622,288 22.715,289 11.329,290 19.581,291 15.223,292 15.223,293 15.223,294 15.223,295 15.223,296 12.655,297 25.536,298 5.324,299 15.648,300 4.315,301 2.566,302 1.505,303 0.945,304 0.755,305 0.718,306 4.073,310 1,311 1,312 1,313 800,314 2.915,317 65.109,318 277.177,321 124.834,325 1.939,326 27.908,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 60,338 366,339 4.603,340 3.954,341 6.97,342 4.302,343 3.313,344 4.19,345 1.349,346 11.722,347 3.272,348 3.941,349 3.257,350 5.748,351 3.69,352 2.727,353 3.457,354 0.916,355 7.802,356 2.634,357 3.815,358 3.018,359 5.614,360 3.49,361 2.514,362 3.187,363 0.86,364 7.637,365 2.475,366 3.603,367 2.851,368 5.509,369 3.409,370 2.442,371 2.667,372 0.8,373 6.938,374 2.335,375 3.445,376 2.567,377 5.326,378 3.083,379 2.105,380 2.634,381 0.172,382 6.586,383 2.096,384 3.248,385 2.295,386 5.172,387 3.035,388 2.032,389 2.379,391 6.052,392 1.98,393 3.127,394 2.186,395 4.951,396 2.866,397 1.911,398 2.212,400 5.838,401 1.811,402 2.822,403 1.807,404 3.709,405 2.417,406 1.421,407 1.92,409 3.045,410 1.414,411 2.523,412 1.514,413 3.603,414 2.02,415 1.011,416 1.5,418 2.449,419 1.013,420 2.5,421 1.273,422 3.518,423 2,424 1,425 1.464,427 2.275,428 1,429 2.145,430 1.077,431 3.414,432 1.984,433 1,434 1.002,436 2.136,437 0.983,438 2,439 1.066,440 3.247,441 1.877,442 0.866,443 1,445 2.109,446 0.87,447 1.646,448 1,449 2.958,450 1.357,451 0.476,452 0.533,454 0.764,455 0.413,456 1.433,457 0.667,458 2.83,459 1.191,460 0.193,461 0.221,463 0.463,464 0.191,465 1.118,466 0.27,467 2.659,468 0.872,469 -0.143,470 -0.172,472 -0.352,473 -0.144,474 13.3,475 0.475,476 0.606,477 0.022,478 33.5,479 1.196,480 15.5,481 0.554,482 18,483 0.643,484 24.702,485 0.882,486 30.5,487 0.565,488 24.173,489 0.863,490 6.511,491 0.233,492 7.141,493 0.255,494 0.088,496 0.323,501 0.678,502 1.368,503 0.812,504 1.159,505 0.502,506 1.027,507 0.894,508 1.021,509 0.951,510 0.937,511 0.558,512 0.938,513 0.839,514 1.165,515 0.967,516 1.138,517 0.727,518 1.076,519 0.953,520 1.09,521 1.011,522 1.059,523 1.006,524 1.044,525 0.922,526 0.835,527 0.919,528 0.834,529 1.079,530 0.863,531 0.755,532 0.972,533 1,534 1.049,535 0.913,536 1.053,537 1.376,538 1.021,539 1.181,540 1.054,541 1.73,542 1.091,543 1.33,544 0.95,545 1.208,546 0.975,547 1.716,548 1.069,549 5,550 0.12,551 2.889,552 2.361,553 1.307,554 0.865,555 0.626,556 0.311,557 0.175,558 0.151,559 11174,560 26532,561 2.115,562 48.1,563 1,564 19,569 6,572 1.704,573 2,574 3.626,575 -0.813,577 1,582 77.756,583 1.44,584 3.189,585 4.25,586 4.81,587 5,588 5.037,589 3.115,590 4.307,591 4.777,592 3.808,593 1439.59,594 8.273,595 19721.8,597 1,599 1,600 310.764,601 1.333,602 4.748,603 0.161,604 0.006,605 0.067,606 0.054,607 0.036,608 0.026,609 0.02,610 0.012,611 0.008,612 0.008,613 0.398,614 0.33,615 1,616 0.689,617 143.274,618 0.008,619 -0.19,620 0.069,621 -0.069,622 0.01,623 -0.006,624 0.016,625 0.111,626 -0.005,627 0.067,628 0.036,629 0.035,630 -0.015,631 -0.133,632 -0.019,633 -0.131,634 0.055,635 -0.081,636 0.034,637 -0.124,638 -0.02,639 -0.097,640 0.116,641 -0.07,642 0.073,643 0.124,644 0.086,645 0.111,646 -0.009,647 0.104,648 0.091,649 0.022,650 -0.036,651 -0.063,652 0.017,653 -0.063,654 -0.175,655 -0.079,656 -0.174,657 -0.081,658 -0.204,659 -0.122,660 -0.094,661 0.001,662 -0.194,663 -0.015,664 -0.224,665 -0.111,666 1.861,667 5.645,668 0.75,669 29.51,670 0.996,671 1.122,672 3.252,673 10.574,674 0.658,675 3.466,676 3.784,677 4.078,678 4.331,679 4.554,680 4.575,681 4.682,682 4.771,683 4.779,684 4.787,685 7.445,686 0.621,687 378.51,688 3.466,689 5.004,690 5.861,691 6.737,692 7.611,693 8.496,694 9.379,695 10.269,696 11.158,697 12.053,698 3.7,701 1,705 1,715 8,720 4,722 12,739 1,741 54,743 14,744 2,745 31,747 57,748 23,749 12,750 4,751 8,752 2,756 4,757 5,767 2,768 1,770 3,772 14,773 9,774 1,777 2,782 2,786 2,790 1,793 26,794 5,796 5,802 2,805 1,808 0.75,809 3,828 1,829 3,832 1,855 1,859 3,864 1,868 28,876 7,878 1,880 1,881 2,893 5.6,896 2,898 1,901 14,902 9.9,903 6.222,904 3.41,907 2.153,908 1.281,909 0.978,910 5.676,911 9.825,912 3.689,913 4.205,914 4.736,915 5.231,916 5.702,917 5.769,918 5.999,919 6.096,920 6.159,921 6.009,922 0.889,923 44,924 10.451,926 4.506,927 0.026,929 7.69,931 20.298,933 17.123,936 2.19,937 61.333,939 1,940 1,941 306.049,942 126.929,943 6.249,945 61.29,948 126.929,949 367.338,950 6.249,951 10.883,952 19.151,953 75.81,954 59.699,955 28.924,957 306.049,959 306.049,960 133.178,961 61.29,964 235.422,965 131.916,968 22.275,969 110.902,972 306.049,973 67.538,974 126.929,977 306.049,978 40.236,979 92.942,981 61.29,982 306.049,983 67.538,984 126.929,986 0.578,987 0.347,988 0.186,989 0.103,990 21,991 9,992 0.105,993 6,994 1,995 1.095,996 4.101,997 238.006,998 0.095,999 21,1000 126.606,1005 19.012,1006 8.36,1007 4.1,1009 67.538,1010 15.64,1015 2.903,1018 500.516,1019 39,1024 25.235,1028 -0.371,1031 53.789,1032 60.607,1034 0.25,1035 0.554,1036 0.738,1037 0.836,1038 0.869,1039 0.875,1040 4.934,1041 1.421,1042 5.838,1043 5.838,1044 4.466,1045 4.89,1046 2.173,1047 6.648,1048 4.42,1049 6.101,1050 1.011,1051 7.396,1052 3.045,1053 4.007,1054 4.575,1055 0.57,1056 7.548,1057 3.942,1058 7.388,1059 1,1060 9.055,1061 2.449,1062 6.057,1063 6.951,1064 2.268,1065 10.671,1066 5.969,1067 8.708,1068 1,1069 10.775,1070 2.275,1071 6.447,1072 7.474,1073 1.104,1074 12.458,1075 6.345,1076 10.065,1077 0.866,1078 12.536,1079 2.136,1080 7.948,1081 9.333,1082 2.527,1083 15.124,1084 7.827,1085 11.448,1086 0.476,1087 14.328,1088 2.109,1089 8.748,1090 10.27,1091 1.71,1092 17.31,1093 8.62,1094 12.854,1095 0.193,1096 16.143,1097 0.764,1098 10.036,1099 11.909,1100 2.903,1101 19.834,1102 9.893,1103 3.313,1104 -0.143,1105 17.978,1106 0.463,1107 11.041,1108 13.068,1109 2.357,1110 22.19,1111 10.891,1112 2.727,1113 11.722,1114 19.83,1115 -0.352,1116 12.25,1117 14.601,1118 3.358,1119 24.671,1120 12.089,1121 2.514,1122 7.802,1123 21.697,1124 4.19,1125 13.353,1126 15.882,1127 3.014,1128 27.093,1129 13.185,1130 2.442,1131 7.637,1132 23.576,1133 3.457,1134 14.54,1135 17.362,1136 3.861,1137 29.56,1138 14.362,1139 2.105,1140 6.938,1141 25.466,1142 3.187,1143 15.69,1144 18.71,1145 3.667,1146 32.007,1147 15.503,1148 2.032,1149 6.586,1150 27.366,1151 2.667,1152 16.873,1153 20.163,1154 4.394,1155 34.47,1156 16.677,1157 1.911,1158 6.052,1159 29.273,1160 2.634,1161 18.045,1162 21.549,1163 4.311,1164 36.925,1165 17.84,1166 10505,1167 16357,1168 20.978,1169 35.512,1170 46.477,1171 48.393,1172 47.462,1173 45.985,1174 46.022,1175 56.732,1176 8.195,1177 131.631,1178 44.972,1179 5.603,1180 5.954,1181 6.772,1182 5.338,1183 5.313,1184 7.19,1185 2.549,1186 18.9,1187 5.272,1188 11.929,1189 1.499,1190 1.561,1191 1.531,1192 1.483,1193 1.485,1194 1.83,1195 0.264,1196 4.246,1197 1.451,1198 4.039,1199 4.064,1200 4.002,1201 3.938,1202 7.447,1203 3.949,1204 3.943,1205 3.98,1206 3.862,1207 3.862,1208 7.408,1209 3.857,1210 3.819,1211 3.865,1212 3.704,1213 3.717,1214 4.835,1215 3.707,1216 3.546,1217 3.597,1218 3.465,1219 3.341,1220 4.754,1221 3.361,1222 3.338,1223 3.393,1224 3.204,1225 3.135,1226 4.343,1227 3.147,1228 3.17,1229 3.247,1230 3.01,1231 2.956,1232 4.305,1233 2.95,1234 3.111,1235 3.206,1236 2.933,1237 2.941,1238 3.968,1239 2.91,1240 3.046,1241 3.109,1242 2.866,1243 2.88,1244 3.732,1245 2.881,1246 0.148,1247 0.128,1248 0.225,1249 0.139,1250 0.107,1251 4.603,1252 0.135,1253 3.954,1254 0.044,1255 6.97,1256 0.378,1257 4.302,1258 0.106,1259 3.313,1260 4.19,1261 1.349,1262 11.722,1263 3.272,1264 1.934,1265 1.896,1266 2.1,1267 2.068,1268 1.482,1269 2.082,1270 1.881,1271 1.869,1272 2.013,1273 1.968,1274 1.165,1275 1.977,1276 1.84,1277 1.79,1278 1.961,1279 1.956,1280 1.086,1281 1.964,1282 1.52,1283 1.462,1284 1.737,1285 1.768,1286 1.011,1287 1.753,1288 1.248,1289 1.196,1290 1.568,1291 1.521,1292 0.825,1293 1.533,1294 1.207,1295 1.153,1296 1.513,1297 1.475,1298 0.691,1299 1.469,1300 1.153,1301 1.064,1302 1.464,1303 1.376,1304 0.575,1305 1.429,1306 1.052,1307 0.995,1308 1.277,1309 1.266,1310 0.438,1311 1.285,1312 4.143,1314 5.46,1315 2.398,1316 6.976,1317 4.949,1318 8.578,1319 7.195,1320 10.226,1322 1.56,1328 6.735,1330 5.179,1332 0.561,1333 3.889,1340 33.509,1341 77.756,1342 172.196,1343 229.48,1344 259.744,1345 270.009,1346 272.009,1347 53.454,1348 7.672,1349 51.54,1350 51.54,1351 23,1352 12.58,1353 3.907,1354 3.17,1355 42.804,1356 127,1357 122,1358 0.165,1359 203.979,1360 362.47,1361 489.468,1362 24523,1364 19.51,1365 0.697,1366 0.581,1367 19.51,1368 16.265,1369 13.652,1370 0.44,1371 0.321,1372 9.833,1373 13.172,1374 9.597,1375 7.933,1376 13.652,1377 9.96,1378 12.001,1379 0.279,1380 0.178,1381 12.001,1382 7.667,1383 10.608,1384 0.183,1385 0.102,1386 10.608,1387 5.895,1388 8.666,1389 0.116,1390 0.056,1391 8.666,1392 4.186,1393 7.031,1394 0.075,1395 0.033,1396 7.031,1397 3.08,1398 0.266,1399 85.333,1400 0.218,1401 27.285,1402 0.43,1403 148,1404 406.497,1405 160.136,1406 388.08,1407 526.76,1408 364,1409 175,1410 378.452,1411 188.137,1412 385.182,1413 565.58,1414 361,1415 8.097}
{0 CHEMBL140936,1 1.175,2 11.667,3 5.002,4 25.021,5 104.793,6 5.973,7 0.462,8 4.029,9 4.174,10 3.418,11 3.588,12 4.9,13 3.51,14 4.615,15 4.833,16 3.695,17 3.982,18 5.373,19 3.865,20 4.923,21 5.19,22 3.712,23 4.151,24 5.568,25 3.982,26 5.009,27 5.3,28 3.597,29 4.152,30 5.597,31 3.941,32 5.018,33 5.329,34 3.567,35 4.124,36 5.597,37 3.912,38 4.94,39 5.236,40 3.502,41 4.094,42 5.537,43 3.878,44 4.89,45 5.191,46 3.366,47 4.016,48 5.467,49 3.779,50 4.795,51 5.123,52 3.177,53 3.822,54 5.352,55 3.576,56 0.069,57 0.751,58 13.303,59 5.406,60 9.006,61 7.934,62 0.163,63 1.259,64 23.538,65 8.66,66 15.835,67 13.13,68 0.201,69 1.587,70 31.011,71 11.871,72 18.651,73 17.772,74 0.192,75 1.646,76 33.041,77 13.193,78 19.261,79 19.501,80 0.202,81 1.623,82 33.052,83 13.054,84 21.054,85 19.357,86 0.197,87 1.517,88 30.635,89 12.704,90 19.274,91 18.472,92 0.136,93 1.411,94 28.746,95 12.364,96 17.436,97 17.855,98 0.151,99 1.25,100 26.003,101 10.38,102 18.03,103 15.357,104 3,105 33,106 0.197,107 0.451,108 0.638,109 0.756,110 0.809,111 0.815,112 3.227,113 1.086,114 -5.51,115 -5.38,116 -5.03,121 40.7,122 1,123 3,124 1,127 5,144 10,145 1,146 1,176 13,180 7,187 13,192 6,200 5,206 6,214 7,219 1,227 12,231 1,239 17,251 11,256 4,264 5,269 4,277 1,281 836,282 16.784,283 16.784,284 16.784,285 16.784,286 16.784,287 15.306,288 19.905,289 10.375,290 17.037,291 12.815,292 12.815,293 12.815,294 12.815,295 12.815,296 10.767,297 26.55,298 4.898,299 13.185,300 4.58,301 3.067,302 1.958,303 1.255,304 0.94,305 0.903,306 3.916,311 1,312 1,313 600,314 3,318 269.378,325 1.972,326 6.163,329 0.75,330 1,331 1,332 1,333 1,334 1,335 1,336 0.96,337 49,338 280,339 4.07,340 3.086,341 6.128,342 3.786,343 2.839,344 3.548,345 0.916,346 8.979,347 2.693,348 3.94,349 3.014,350 5.616,351 3.678,352 2.717,353 3.457,354 0.8,355 7.787,356 2.616,357 3.604,358 2.556,359 5.329,360 3.459,361 2.462,362 2.643,363 0.172,364 6.943,365 2.455,366 3.239,367 2.234,368 4.955,369 3.04,370 2.085,371 2.388,373 5.869,374 1.982,375 3.114,376 1.958,377 4.453,378 2.824,379 1.853,380 2.215,382 4.498,383 1.794,384 2.823,385 1.518,386 3.595,387 2.417,388 1.422,389 1.923,391 3.044,392 1.414,393 2.54,394 1.269,395 3.509,396 2.189,397 1.205,398 1.55,400 2.72,401 1.183,402 2.5,403 1.077,404 3.414,405 2,406 1,407 1.5,409 2.275,410 1,411 2.5,412 1,413 3.247,414 2,415 1,416 1.5,418 2.136,419 1,420 2,421 1,422 3.247,423 1.984,424 1,425 1,427 2.136,428 0.983,429 1.793,430 0.877,431 3.163,432 1.758,433 0.779,434 0.787,436 1.574,437 0.761,438 1.283,439 0.367,440 2.785,441 1.164,442 0.192,443 0.203,445 0.385,446 0.186,447 1.045,448 0.05,449 2.401,450 0.881,451 -0.096,452 -0.105,454 -0.19,455 -0.094,456 0.703,457 -0.398,458 2.189,459 0.448,460 -0.538,461 -0.606,463 -1.205,464 -0.53,465 0.5,466 -0.731,467 2,468 0.15,469 -0.832,470 -1,472 -1.783,473 -0.815,474 11.8,475 0.492,476 0.324,477 0.014,478 27,479 1.125,480 12.5,481 0.521,482 14.5,483 0.604,484 22.121,485 0.922,486 26.6,487 0.493,488 15.78,489 0.657,490 5.048,491 0.21,492 6.8,493 0.283,494 0.042,496 0.195,501 1.049,502 1.412,503 1.035,504 1.2,505 0.955,506 1.132,507 1.845,508 1.175,509 1.171,510 1.067,511 1.028,512 1.08,513 1.465,514 1.074,515 1.116,516 1.043,517 0.909,518 1.058,519 1.031,520 1.094,521 1.059,522 1.079,523 0.851,524 1.072,525 1.087,526 0.884,527 0.938,528 0.891,529 0.959,530 0.904,531 0.888,532 0.903,533 1.029,534 0.995,535 1.055,536 1.015,537 0.529,538 1.059,539 0.995,540 1.097,541 0.981,542 1.076,543 0.855,544 0.924,545 0.896,546 0.915,547 0.95,548 0.909,549 3.5,550 0.078,551 1.778,552 0.75,553 0.724,554 0.451,555 0.341,556 0.186,557 0.114,558 0.088,559 7348,560 13102,561 2.114,562 55.6,563 1,564 20,569 9,572 1.662,573 2.057,574 3.509,575 -0.905,582 63.45,583 1.175,584 2.688,585 3.797,586 4.5,587 4.815,588 4.852,589 2.924,590 4.002,591 4.557,592 3.679,593 1015.34,594 7.827,595 12663.8,597 1,600 310.764,601 0.974,602 4.551,603 0.135,604 0.006,605 0.054,606 0.023,607 0.027,608 0.017,609 0.014,610 0.009,611 0.007,612 0.006,613 0.297,614 0.5,615 0.88,616 0.573,617 117.225,618 0.153,619 -0.184,620 0.07,621 -0.056,622 0.142,623 -0.008,624 -0.165,625 -0.016,626 -0.088,627 -0.044,628 -0.005,629 -0.059,630 -0.137,631 -0.025,632 -0.095,633 -0.058,634 -0.028,635 -0.071,636 -0.031,637 -0.118,638 -0.08,639 -0.104,640 -0.024,641 -0.096,642 -0.04,643 0.068,644 0.031,645 0.059,646 -0.043,647 0.051,648 -0.005,649 0.06,650 -0.06,651 -0.016,652 -0.133,653 -0.036,654 0.045,655 -0.136,656 -0.052,657 -0.105,658 -0.097,659 -0.087,660 0.049,661 -0.018,662 0.049,663 0.02,664 -0.008,665 0.032,666 0.449,667 0.612,668 0.75,669 23.736,670 0.974,671 1.126,672 4.278,673 18.297,674 0.642,675 3.296,676 3.526,677 3.738,678 3.912,679 4.094,680 3.97,681 4.043,682 4.111,683 4.143,684 4.174,685 6.889,686 0.582,687 322.54,688 3.296,689 4.779,690 5.587,691 6.412,692 7.232,693 8.061,694 8.884,695 9.714,696 10.54,697 11.37,698 3.7,701 1,704 1,715 10,720 2,722 12,736 1,741 54,743 12,744 2,745 26,747 56,748 22,749 12,750 2,751 10,756 3,757 3,763 1,767 2,768 1,770 3,772 12,773 10,774 1,793 30,794 2,796 2,802 2,808 1,829 3,855 1,859 3,864 1,868 24,876 8,880 1,881 2,901 11.667,902 9.567,903 5.528,904 3.647,907 1.791,908 1.264,909 0.963,910 6.453,911 8.574,912 3.497,913 3.932,914 4.363,915 4.785,916 5.207,917 4.9,918 5.071,919 5.182,920 5.218,921 5.384,922 0.875,923 32,924 8.914,926 3.593,927 0.026,929 7.278,931 18.14,933 14.956,936 1.778,937 42.667,938 0.001,940 1,941 353.133,942 127.662,943 6.249,948 127.662,949 353.133,950 6.249,951 8.825,952 18.132,953 94.762,955 12.191,957 353.133,959 353.133,960 133.911,964 247.193,965 105.94,968 30.082,969 103.829,972 353.133,973 6.249,974 127.662,977 353.133,978 24.074,979 109.836,982 353.133,983 6.249,984 127.662,986 0.555,987 0.32,988 0.171,989 0.092,990 14,991 5,992 0.125,993 7,995 1,996 3.837,997 178.461,999 18,1000 98.039,1005 17.195,1006 9.006,1007 5.182,1009 6.249,1010 21.7,1015 2.804,1018 487.044,1019 32,1031 52.574,1032 60.809,1034 0.204,1035 0.467,1036 0.66,1037 0.782,1038 0.837,1039 0.843,1040 4.682,1041 1,1042 5.501,1043 2.72,1044 4.205,1045 4.615,1046 1.242,1047 6.188,1048 4.148,1049 5.785,1050 1,1051 6.974,1052 2.275,1053 3.434,1054 3.829,1055 0.57,1056 6.823,1057 3.301,1058 7.008,1059 1,1060 8.545,1061 2.136,1062 5.673,1063 6.539,1064 0.883,1065 9.867,1066 5.547,1067 8.258,1068 0.779,1069 10.176,1070 2.136,1071 5.771,1072 6.561,1073 0.581,1074 11.37,1075 5.557,1076 9.541,1077 0.192,1078 11.847,1079 1.574,1080 7.391,1081 8.738,1082 0.68,1083 13.861,1084 7.186,1085 10.845,1086 -0.096,1087 13.546,1088 0.385,1089 7.918,1090 9.176,1091 0.515,1092 15.726,1093 7.626,1094 12.165,1095 -0.538,1096 15.264,1097 -0.19,1098 9.241,1099 11.071,1100 0.541,1101 18.017,1102 8.949,1103 2.839,1104 -0.832,1105 16.997,1106 -1.205,1107 9.996,1108 11.758,1109 0.441,1110 20.048,1111 9.622,1112 2.717,1113 8.979,1114 18.74,1115 -1.783,1116 11.169,1117 13.472,1118 0.438,1119 22.263,1120 10.784,1121 2.462,1122 7.787,1123 20.492,1124 3.548,1125 12.048,1126 14.323,1127 0.373,1128 24.371,1129 11.588,1130 2.085,1131 6.943,1132 22.252,1133 3.457,1134 13.146,1135 15.912,1136 0.358,1137 26.56,1138 12.663,1139 1.853,1140 5.869,1141 24.017,1142 2.643,1143 14.092,1144 16.876,1145 0.314,1146 28.706,1147 13.54,1148 1.422,1149 4.498,1150 25.787,1151 2.388,1152 15.152,1153 18.375,1154 0.296,1155 30.888,1156 14.568,1157 1.205,1158 3.044,1159 27.561,1160 2.215,1161 16.135,1162 19.419,1163 0.264,1164 33.052,1165 15.487,1166 7033,1167 9450,1168 17.97,1169 34.671,1170 37.275,1171 37.07,1172 37.961,1173 37.151,1174 37.106,1175 45.428,1176 3.778,1177 96.691,1178 36.134,1179 5.07,1180 5.086,1181 5.93,1182 4.821,1183 4.839,1184 6.548,1185 1.605,1186 15.003,1187 4.693,1188 6.329,1189 1.434,1190 1.426,1191 1.46,1192 1.429,1193 1.427,1194 1.747,1195 0.145,1196 3.719,1197 1.39,1198 3.983,1199 4.033,1200 3.893,1201 3.887,1202 4.775,1203 3.882,1204 3.906,1205 3.945,1206 3.834,1207 3.832,1208 4.746,1209 3.828,1210 3.812,1211 3.86,1212 3.698,1213 3.713,1214 4.33,1215 3.702,1216 3.552,1217 3.63,1218 3.401,1219 3.373,1220 4.163,1221 3.368,1222 3.348,1223 3.434,1224 3.164,1225 3.172,1226 3.868,1227 3.158,1228 3.114,1229 3.206,1230 2.909,1231 2.959,1232 3.695,1233 2.937,1234 3.111,1235 3.2,1236 2.866,1237 2.941,1238 3.674,1239 2.91,1240 2.869,1241 2.95,1242 2.705,1243 2.735,1244 3.674,1245 2.715,1246 0.157,1247 0.119,1248 0.236,1249 0.146,1250 0.109,1251 4.07,1252 0.136,1253 3.086,1254 0.035,1255 6.128,1256 0.345,1257 3.786,1258 0.104,1259 2.839,1260 3.548,1261 0.916,1262 8.979,1263 2.693,1264 1.939,1265 1.899,1266 2.106,1267 2.076,1268 1.485,1269 2.089,1270 1.905,1271 1.871,1272 2.037,1273 2.012,1274 1.195,1275 2.022,1276 1.826,1277 1.777,1278 1.998,1279 1.939,1280 1.13,1281 1.962,1282 1.546,1283 1.469,1284 1.823,1285 1.752,1286 0.978,1287 1.779,1288 1.359,1289 1.277,1290 1.667,1291 1.579,1292 0.904,1293 1.615,1294 1.153,1295 1.064,1296 1.513,1297 1.376,1298 0.825,1299 1.429,1300 1.136,1301 1.059,1302 1.44,1303 1.347,1304 0.669,1305 1.385,1306 0.886,1307 0.821,1308 1.187,1309 1.096,1310 0.407,1311 1.133,1312 3.97,1314 5.22,1316 6.673,1318 8.207,1320 9.776,1322 2.259,1328 9.897,1332 0.884,1333 5.122,1340 31.418,1341 63.45,1342 145.132,1343 205.015,1344 242.989,1345 260.009,1346 262.009,1347 30.285,1348 6.783,1349 6.48,1350 6.48,1351 18,1352 11.944,1353 3.7,1354 2.807,1355 39.579,1356 100,1357 88,1358 0.191,1359 195.646,1360 336.44,1361 469.136,1362 7988,1364 16.615,1365 0.692,1366 0.621,1367 16.615,1368 14.902,1369 11.848,1370 0.456,1371 0.362,1372 9.351,1373 11.634,1374 9.092,1375 7.588,1376 11.848,1377 9.412,1378 9.77,1379 0.296,1380 0.209,1381 9.77,1382 6.909,1383 8.144,1384 0.199,1385 0.128,1386 8.144,1387 5.266,1388 6.479,1389 0.132,1390 0.076,1391 6.479,1392 3.722,1393 5.191,1394 0.088,1395 0.046,1396 5.191,1397 2.718,1398 0.309,1399 72.273,1400 0.236,1401 24.137,1402 0.496,1403 118,1404 221.29,1405 122.496,1406 224.464,1407 316.76,1408 214,1409 133,1410 234.93,1411 138.329,1412 243.093,1413 349.47,1414 230,1415 4.921}
{0 CHEMBL140948,1 1.643,2 10,3 1.834,4 3.365,5 85.487,6 7.557,7 0.24,8 3.845,9 3.961,10 3.419,11 3.335,12 4.977,13 3.326,14 4.437,15 4.617,16 3.798,17 3.777,18 5.626,19 3.745,20 4.725,21 4.936,22 3.868,23 3.947,24 5.814,25 3.88,26 4.863,27 5.112,28 3.717,29 3.858,30 6.04,31 3.759,32 4.658,33 4.929,34 3.535,35 3.609,36 5.723,37 3.53,38 4.391,39 4.593,40 3.582,41 3.497,42 5.829,43 3.463,44 4.359,45 4.553,46 3.431,47 3.455,48 5.785,49 3.401,50 4.266,51 4.478,52 3.183,53 3.326,54 5.452,55 3.25,56 0.143,57 0.631,58 8.437,59 3.759,60 10.345,61 5.026,62 0.408,63 1.031,64 17.479,65 6.354,66 51.367,67 8.928,68 0.328,69 1.245,70 24.424,71 9,72 44.253,73 12.645,74 0.704,75 1.222,76 31.406,77 9.528,78 125.515,79 13.877,80 0.637,81 0.971,82 26.607,83 7.291,84 92.293,85 10.88,86 0.633,87 0.808,88 18.58,89 5.779,90 96.887,91 8.037,92 0.545,93 0.762,94 18.005,95 5.797,96 118.206,97 7.834,98 0.524,99 0.689,100 16.932,101 4.877,102 73.729,103 6.723,104 27,105 36,106 0.29,107 0.569,108 0.719,109 0.782,110 0.813,111 0.822,112 3.188,113 0.936,114 -3.69,115 -3.66,116 -3.48,121 38.1,123 3,124 1,126 1,127 3,144 3,145 2,146 1,160 2,168 2,176 7,179 3,180 9,187 7,192 14,200 2,205 1,206 14,214 2,218 2,219 5,227 4,231 6,232 4,239 7,243 2,244 1,251 5,255 2,256 5,264 2,269 6,281 726,282 15.137,283 15.137,284 15.137,285 15.137,286 15.137,287 13.975,288 19.644,289 8.658,290 15.373,291 12.263,292 12.263,293 12.263,294 12.263,295 12.263,296 10.336,297 20.085,298 4.076,299 12.577,300 3.749,301 2.167,302 1.316,303 0.959,304 0.78,305 0.732,306 3.864,310 1,311 1,312 1,313 488,314 3,317 49.172,318 136.231,321 93.455,325 1.478,326 37.458,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 51.5,338 230,339 4.615,340 3.958,341 6.972,342 4.307,343 3.317,344 4.242,345 2.612,346 11.73,347 3.278,348 4.16,349 3.773,350 5.964,351 3.671,352 2.705,353 3.721,354 1.349,355 8.332,356 2.612,357 3.627,358 3.256,359 5.626,360 3.583,361 2.611,362 2.726,363 0.8,364 7.239,365 2.545,366 3.458,367 2.802,368 5.479,369 3.122,370 2.17,371 2.641,372 0.8,373 6.897,374 2.099,375 3.423,376 2.481,377 5.4,378 3.055,379 2.036,380 2.59,382 6.384,383 2.033,384 3.094,385 2.287,386 4.886,387 2.958,388 1.99,389 2.106,391 5.675,392 1.904,393 2.857,394 1.857,395 3.826,396 2.253,397 1.257,398 1.922,400 2.971,401 1.25,402 2.502,403 1.724,404 3.707,405 1.984,406 1,407 1.414,409 2.343,410 0.983,411 2.131,412 1.271,413 3.49,414 1.947,415 0.921,416 1,418 2.275,419 0.94,420 2,421 1.077,422 3.414,423 1.861,424 0.852,425 0.978,427 2.046,428 0.854,429 1.365,430 1,431 2.808,432 1.119,433 0.096,434 0.111,436 0.225,437 0.097,438 1.06,439 0.648,440 2.508,441 0.634,442 -0.364,443 -0.403,445 -0.808,446 -0.361,447 1,448 0.11,449 2.318,450 0.581,451 -0.453,452 -0.647,454 -1.127,455 -0.463,456 0.745,457 -0.039,458 2.167,459 0.186,460 -0.83,461 -1,463 -2,464 -0.84,465 0.655,466 -0.523,467 2,469 -1,470 -1.136,472 -2.491,473 -0.946,474 10.533,475 0.458,476 0.703,477 0.031,478 27.25,479 1.185,480 12,481 0.522,482 15.25,483 0.663,484 18.99,485 0.826,486 26.067,487 0.621,488 20.31,489 0.883,490 5.134,491 0.223,492 5.836,493 0.254,494 0.174,496 0.399,501 0.429,502 1.447,503 0.715,504 1.192,505 0.453,506 1.052,507 0.536,508 1.043,509 0.802,510 0.952,511 0.383,512 0.924,513 0.654,514 1.182,515 0.869,516 1.213,517 0.537,518 1.103,519 0.907,520 1.039,521 0.951,522 1.051,523 0.876,524 1.022,525 0.977,526 0.745,527 0.823,528 0.743,529 0.987,530 0.743,531 0.759,532 0.848,533 0.865,534 0.955,535 0.855,536 0.937,537 1.057,538 1.086,539 1.056,540 1.113,541 1.119,542 1.099,543 1.34,544 0.868,545 1.265,546 0.9,547 1.426,548 1.047,549 5,550 0.079,551 3.333,552 2.299,553 1.156,554 0.969,555 0.644,556 0.262,557 0.187,558 0.165,559 5484,560 16205,561 2.016,562 45.2,563 1,564 12,569 6,572 1.656,573 1.84,574 3.269,575 -0.686,576 1,577 1,579 1,582 69.012,583 1.643,584 3.225,585 4.076,586 4.434,587 4.612,588 4.66,589 2.736,590 4.089,591 4.491,592 3.419,593 865.022,594 7.73,595 9739.99,596 1,597 1,599 1,600 226.477,601 1.538,602 4.428,603 0.2,604 0.008,605 0.093,606 0.062,607 0.04,608 0.039,609 0.025,610 0.012,611 0.011,612 0.012,613 0.501,614 0.33,615 1,616 0.872,617 107.512,618 0.153,619 -0.151,620 0.068,621 -0.039,622 0.031,623 -0.025,624 0.132,625 0.134,626 0.063,627 0.103,628 0.168,629 0.079,630 0.005,631 -0.134,632 0.026,633 -0.158,634 0.074,635 -0.069,637 -0.147,638 0.044,639 -0.082,640 0.044,641 -0.02,642 -0.022,643 0.127,644 0.21,645 0.175,646 -0.054,647 0.239,648 0.297,649 0.152,650 0.117,651 0.016,652 0.208,653 0.023,654 0.053,655 -0.136,656 -0.076,657 -0.107,658 0.087,659 -0.121,660 -0.194,661 0.092,662 -0.263,663 0.049,664 -0.246,665 -0.104,666 2.556,667 5.381,668 0.652,669 19.422,670 1.016,671 1.135,672 2.461,673 6.058,674 0.641,675 3.258,676 3.611,677 3.892,678 4.127,679 4.357,680 4.419,681 4.511,682 4.575,683 4.564,684 4.477,685 5.777,686 0.622,687 317.38,688 3.258,689 4.812,690 5.673,691 6.561,692 7.445,693 8.34,694 9.234,695 10.134,696 11.035,697 11.94,698 7.1,701 1,705 1,709 1,715 3,720 3,722 6,735 1,741 42,743 10,744 1,745 25,747 44,748 16,749 6,750 3,751 3,752 2,756 3,757 4,767 2,768 1,770 3,772 8,773 8,774 1,777 4,779 1,782 4,786 2,789 1,790 1,793 19,794 6,796 7,802 3,805 1,808 0.667,809 4,828 1,829 2,832 1,855 1,859 2,864 1,868 23,876 6,880 1,881 2,893 9.5,896 2,899 2,901 12.5,902 7.85,903 5,904 2.682,907 1.52,908 1.217,909 0.947,910 4.356,911 8.513,912 3.497,913 4.034,914 4.535,915 5.016,916 5.509,917 5.809,918 6.14,919 6.133,920 6.185,921 5.955,922 0.857,923 37,924 8.612,926 3.833,927 0.026,929 8.138,931 16.1,933 13.607,936 2.638,937 60.667,941 223.651,942 69.283,943 11.919,945 101.037,948 69.283,949 324.688,950 11.919,951 14.066,952 17.045,953 28.429,954 59.699,955 12.252,957 223.651,958 50.747,959 223.651,960 81.202,961 101.037,964 153.024,965 120.916,966 50.747,968 20.169,969 55.362,970 5.67,972 223.651,973 112.955,974 69.283,977 223.651,978 32.458,979 48.744,981 101.037,982 223.651,983 112.955,984 69.283,986 0.595,987 0.351,988 0.176,989 0.099,990 18,991 9,992 0.091,993 4,994 1,995 1.133,996 3.464,997 183.226,998 0.133,999 15,1000 98.042,1005 15.942,1006 6.285,1007 3.086,1009 107.285,1010 3.846,1015 0.249,1018 405.889,1019 32,1021 -0.556,1024 46.363,1028 -0.755,1031 42.683,1032 47.654,1034 0.305,1035 0.598,1036 0.756,1037 0.822,1038 0.855,1039 0.864,1040 4.766,1041 1,1042 5.687,1043 2.971,1044 4.29,1045 4.718,1046 2.888,1047 6.529,1048 4.249,1049 5.964,1050 0.921,1051 7.277,1052 2.343,1053 4.007,1054 4.677,1055 2.431,1056 7.513,1057 3.942,1058 7.28,1059 0.852,1060 8.967,1061 2.275,1062 5.922,1063 6.835,1064 4.26,1065 10.622,1066 5.838,1067 8.628,1068 0.096,1069 10.713,1070 2.046,1071 6.431,1072 7.609,1073 4.527,1074 12.45,1075 6.333,1076 10.011,1077 -0.364,1078 12.496,1079 0.225,1080 7.863,1081 9.31,1082 5.974,1083 15.117,1084 7.748,1085 11.419,1086 -0.453,1087 14.306,1088 -0.808,1089 8.735,1090 10.439,1091 6.562,1092 17.318,1093 8.612,1094 12.848,1095 -0.83,1096 16.136,1097 -1.127,1098 9.993,1099 11.978,1100 7.801,1101 19.844,1102 9.855,1103 3.317,1104 -1,1105 17.983,1106 -2,1107 11.035,1108 13.265,1109 8.55,1110 22.204,1111 10.892,1112 2.705,1113 11.73,1114 19.844,1115 -2.491,1116 12.235,1117 14.742,1118 9.672,1119 24.684,1120 12.08,1121 2.611,1122 8.332,1123 21.718,1124 4.242,1125 13.356,1126 16.102,1127 10.509,1128 27.106,1129 13.195,1130 2.17,1131 7.239,1132 23.602,1133 3.721,1134 14.541,1135 17.553,1136 11.564,1137 29.573,1138 14.37,1139 2.036,1140 6.897,1141 25.495,1142 2.726,1143 15.7,1144 18.949,1145 12.452,1146 32.019,1147 15.52,1148 1.99,1149 6.384,1150 27.396,1151 2.641,1152 16.884,1153 20.39,1154 13.468,1155 34.482,1156 16.695,1157 1.257,1158 5.675,1159 29.303,1160 2.59,1161 18.06,1162 21.804,1163 14.386,1164 36.938,1165 17.863,1166 5413,1167 9545,1168 16.126,1169 26.926,1170 38.305,1171 41.13,1172 39.929,1173 37.985,1174 37.911,1175 46.903,1176 11.123,1177 112.23,1178 37.186,1179 5.615,1180 5.958,1181 6.387,1182 5.342,1183 5.317,1184 7.242,1185 4.612,1186 18.926,1187 5.278,1188 13.375,1189 1.532,1190 1.645,1191 1.597,1192 1.519,1193 1.516,1194 1.876,1195 0.445,1196 4.489,1197 1.487,1198 4.066,1199 4.088,1200 4.039,1201 3.948,1202 7.815,1203 3.963,1204 3.882,1205 3.943,1206 3.761,1207 3.745,1208 7.446,1209 3.738,1210 3.684,1211 3.715,1212 3.661,1213 3.378,1214 7.408,1215 3.425,1216 3.429,1217 3.495,1218 3.299,1219 3.167,1220 6.999,1221 3.193,1222 3.21,1223 3.274,1224 3.099,1225 2.941,1226 4.619,1227 2.959,1228 3.111,1229 3.206,1230 2.953,1231 2.923,1232 4.373,1233 2.91,1234 3.027,1235 3.088,1236 2.866,1237 2.84,1238 4.01,1239 2.835,1240 2.954,1241 2.959,1242 2.777,1243 2.617,1244 3.729,1245 2.695,1246 0.185,1247 0.158,1248 0.279,1249 0.172,1250 0.133,1251 4.615,1252 0.17,1253 3.958,1254 0.104,1255 6.972,1256 0.469,1257 4.307,1258 0.131,1259 3.317,1260 4.242,1261 2.612,1262 11.73,1263 3.278,1264 1.913,1265 1.896,1266 2.085,1267 2.072,1268 1.476,1269 2.062,1270 1.873,1271 1.815,1272 1.983,1273 2.045,1274 1.104,1275 2.028,1276 1.533,1277 1.47,1278 1.764,1279 1.787,1280 1.042,1281 1.776,1282 1.268,1283 1.231,1284 1.546,1285 1.662,1286 0.825,1287 1.554,1288 1.222,1289 1.183,1290 1.513,1291 1.523,1292 0.691,1293 1.52,1294 1.153,1295 1.064,1296 1.301,1297 1.376,1298 0.415,1299 1.429,1300 1.029,1301 0.953,1302 1.229,1303 1.282,1304 0.26,1305 1.298,1306 0.823,1307 0.781,1308 1.123,1309 1.091,1310 0.206,1311 1.077,1312 3.932,1314 5.273,1315 2.398,1316 6.806,1317 4.949,1318 8.422,1319 7.195,1320 10.085,1322 2.091,1328 5.407,1332 0.518,1333 3.504,1340 26.138,1341 69.012,1342 135.458,1343 171.193,1344 186.213,1345 193.722,1346 195.722,1347 59.236,1348 6.993,1349 88.13,1350 88.13,1351 17,1352 12.459,1353 3.459,1354 3,1355 36.919,1356 78,1357 87,1358 0.234,1359 160.871,1360 289.7,1361 384.286,1362 9217,1364 16.56,1365 0.72,1366 0.566,1367 16.56,1368 13.027,1369 10.969,1370 0.439,1371 0.312,1372 7.67,1373 10.387,1374 7.51,1375 6.192,1376 10.969,1377 7.803,1378 10.23,1379 0.284,1380 0.175,1381 10.23,1382 6.284,1383 8.684,1384 0.181,1385 0.099,1386 8.684,1387 4.764,1388 6.811,1389 0.112,1390 0.053,1391 6.811,1392 3.258,1393 5.504,1394 0.071,1395 0.032,1396 5.504,1397 2.431,1398 0.364,1399 70.103,1400 0.249,1401 22.539,1402 0.649,1403 122,1404 417.877,1405 137.101,1406 393.038,1407 512.41,1408 360,1409 145,1410 365.919,1411 160.799,1412 362.837,1413 529.56,1414 338,1415 5.167}
{0 CHEMBL140990,1 1.298,2 12.423,3 3.693,4 13.641,5 107.094,6 6.454,7 0.414,8 4.055,9 4.186,10 3.517,11 3.634,12 4.971,13 3.573,14 4.654,15 4.852,16 3.848,17 4.062,18 5.49,19 3.967,20 4.977,21 5.214,22 3.881,23 4.242,24 5.749,25 4.097,26 5.084,27 5.366,28 3.718,29 4.19,30 5.808,31 4,32 5.002,33 5.309,34 3.638,35 4.062,36 5.707,37 3.883,38 4.819,39 5.085,40 3.569,41 3.998,42 5.59,43 3.831,44 4.817,45 5.09,46 3.446,47 3.956,48 5.556,49 3.761,50 4.719,51 5.018,52 3.301,53 3.799,54 5.426,55 3.6,56 0.053,57 0.755,58 12.693,59 5.401,60 6.75,61 7.64,62 0.217,63 1.312,64 23.804,65 9.035,66 15.931,67 13.2,68 0.227,69 1.683,70 32.921,71 12.875,72 23.994,73 18.558,74 0.274,75 1.761,76 36.926,77 14.101,78 34.112,79 20.464,80 0.288,81 1.597,82 34.222,83 12.458,84 35.77,85 18.357,86 0.249,87 1.369,88 28.311,89 10.978,90 27.408,91 15.695,92 0.202,93 1.319,94 28.08,95 11.35,96 28.208,97 16.089,98 0.26,99 1.192,100 25.659,101 9.725,102 29.162,103 14.163,104 2,105 39,106 0.216,107 0.484,108 0.663,109 0.758,110 0.823,111 0.842,112 3.303,113 1.023,114 -4.94,115 -4.85,116 -4.55,121 42.6,123 4,124 1,127 5,144 9,145 3,160 1,176 16,179 1,180 7,187 17,192 7,200 8,206 10,214 5,219 5,227 9,231 1,232 3,239 15,251 13,255 1,256 3,264 8,269 4,277 3,281 992,282 18.016,283 18.016,284 18.016,285 18.016,286 18.016,287 16.383,288 21.831,289 10.905,290 18.201,291 14.365,292 14.365,293 14.365,294 14.365,295 14.365,296 11.986,297 27.99,298 5.257,299 14.648,300 4.456,301 2.852,302 1.776,303 1.206,304 0.815,305 0.704,306 4.009,310 1,311 1,312 1,313 715,314 2.55,318 323.429,322 125.436,325 2.006,326 14.298,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 54,338 323,339 4.293,340 3.779,341 6.313,342 4.005,343 3.022,344 3.844,345 2.017,346 9.641,347 2.971,348 3.941,349 3.018,350 5.806,351 3.69,352 2.727,353 3.457,354 0.916,355 7.864,356 2.635,357 3.774,358 2.951,359 5.615,360 3.504,361 2.517,362 2.996,363 0.775,364 7.757,365 2.487,366 3.591,367 2.578,368 5.326,369 3.402,370 2.414,371 2.631,372 0.219,373 6.921,374 2.376,375 3.179,376 2.395,377 4.953,378 3.026,379 2.069,380 2.246,381 0.172,382 5.862,383 1.969,384 2.998,385 2.182,386 4.657,387 2.748,388 1.754,389 2.119,391 4.998,392 1.735,393 2.879,394 1.679,395 3.837,396 2.425,397 1.428,398 2.042,400 3.07,401 1.424,402 2.823,403 1.518,404 3.618,405 2.412,406 1.414,407 1.923,409 3.022,410 1.41,411 2.5,412 1.479,413 3.592,414 2.158,415 1.152,416 1.5,418 2.874,419 1.151,420 2.494,421 1.077,422 3.414,423 2,424 1,425 1.438,427 2.275,428 1,429 2,430 1,431 3.247,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.726,439 0.759,440 3.191,441 1.617,442 0.636,443 0.682,445 1.528,446 0.623,447 1.344,448 0.698,449 2.817,450 1.108,451 0.126,452 0.14,454 0.315,455 0.123,456 1.165,457 0.318,458 2.643,459 0.884,460 -0.138,461 -0.17,463 -0.331,464 -0.14,465 0.824,466 -0.048,467 2.463,468 0.579,469 -0.414,470 -0.483,472 -1.067,473 -0.409,474 12.633,475 0.486,476 0.482,477 0.019,478 29.75,479 1.144,480 13.5,481 0.519,482 16.25,483 0.625,484 23.816,485 0.916,486 28.167,487 0.522,488 18.698,489 0.719,490 5.632,491 0.217,492 7.144,493 0.275,494 0.026,496 0.261,501 0.703,502 1.335,503 0.913,504 1.13,505 0.512,506 1.051,507 0.991,508 1.094,509 1.073,510 1.022,511 0.581,512 1.036,513 1.071,514 1.149,515 1.123,516 1.136,517 0.929,518 1.13,519 1.082,520 1.09,521 1.046,522 1.068,523 1.078,524 1.058,525 1.134,526 0.817,527 0.872,528 0.794,529 0.993,530 0.805,531 1.189,532 0.901,533 1.073,534 0.993,535 1.239,536 1.018,537 1.101,538 1.048,539 1.057,540 1.084,541 1.439,542 1.08,543 1.018,544 0.863,545 0.953,546 0.876,547 1.162,548 0.908,549 4.5,550 0.107,551 2.222,552 0.938,553 1.4,554 0.472,555 0.381,556 0.313,557 0.131,558 0.082,559 9655,560 19154,561 2.172,562 51.9,563 1,564 19,568 2,569 6,572 1.683,573 2.108,574 3.59,575 -0.874,577 1,582 70.116,583 1.298,584 2.902,585 3.979,586 4.549,587 4.94,588 5.051,589 3.075,590 3.661,591 4.673,592 3.759,593 1221.83,594 8.052,595 16032.5,597 1,599 1,600 310.764,601 1.058,602 4.663,603 0.155,604 0.007,605 0.057,606 0.025,607 0.047,608 0.016,609 0.014,610 0.014,611 0.007,612 0.005,613 0.345,614 0.5,615 1,616 0.362,617 130.322,618 0.051,619 -0.151,620 0.074,621 -0.031,622 0.035,623 0.012,624 0.014,625 0.053,626 -0.068,627 -0.013,628 0.014,629 -0.039,630 -0.08,631 -0.115,632 -0.137,633 -0.139,634 -0.04,635 -0.141,636 -0.033,637 -0.138,638 -0.063,639 -0.106,640 -0.015,641 -0.091,642 -0.022,643 0.127,644 0.12,645 0.137,646 0.029,647 0.141,648 -0.055,649 0.08,650 -0.081,651 -0.02,652 -0.061,653 -0.046,654 -0.053,655 -0.126,656 -0.082,657 -0.095,658 -0.118,659 -0.095,660 0.048,661 0.066,662 0.03,663 0.073,664 -0.055,665 0.051,666 1.37,667 5.403,668 0.846,669 26.32,670 0.982,671 1.122,672 3.715,673 13.8,674 0.655,675 3.401,676 3.689,677 3.932,678 4.159,679 4.419,680 4.369,681 4.443,682 4.564,683 4.644,684 4.605,685 7.236,686 0.604,687 348.53,688 3.401,689 4.92,690 5.753,691 6.605,692 7.452,693 8.308,694 9.16,695 10.017,696 10.872,697 11.731,698 3.7,701 1,705 1,715 9,720 3,722 12,741 54,743 13,744 2,745 29,747 57,748 23,749 12,750 3,751 9,756 4,757 5,767 3,768 1,770 4,772 13,773 10,774 1,777 1,782 1,786 1,790 1,793 28,794 3,796 3,802 2,808 0.75,809 1,829 4,833 1,844 1,855 1,859 3,868 26,876 9,880 1,881 2,893 1.9,896 1,901 12.333,902 9.4,903 5.722,904 3.515,907 2.09,908 1.279,909 0.992,910 5.475,911 9.574,912 3.611,913 4.094,914 4.538,915 4.987,916 5.461,917 5.36,918 5.546,919 5.801,920 5.922,921 5.804,922 1,923 38,924 9.697,926 4.108,927 0.026,929 7.442,931 19.469,933 16.669,936 1.942,937 50.5,939 1,940 1,941 329.591,942 120.214,943 6.249,945 25.145,948 120.214,949 354.736,950 6.249,952 23.791,953 85.286,954 29.85,955 12.681,957 329.591,959 329.591,960 126.463,961 25.145,964 258.964,965 95.772,968 26.915,969 99.548,972 329.591,973 31.394,974 120.214,977 329.591,978 34.928,979 91.535,981 25.145,982 329.591,983 31.394,984 120.214,986 0.572,987 0.328,988 0.176,989 0.101,990 19,991 7,992 0.088,993 5,994 1,995 1.091,996 4.038,997 210.662,998 0.091,999 22,1000 112.211,1005 17.453,1006 8.157,1007 4.428,1009 31.394,1010 19.115,1015 3.941,1018 481.199,1019 36,1024 12.403,1028 0.296,1031 53.018,1032 60.604,1034 0.226,1035 0.504,1036 0.691,1037 0.79,1038 0.858,1039 0.878,1040 4.836,1041 1.414,1042 5.7,1043 3.07,1044 4.369,1045 4.779,1046 2.367,1047 6.441,1048 4.332,1049 5.973,1050 1.152,1051 7.209,1052 3.022,1053 3.761,1054 4.27,1055 1.738,1056 7.154,1057 3.695,1058 7.228,1059 1,1060 8.813,1061 2.874,1062 5.894,1063 6.758,1064 3.213,1065 10.226,1066 5.813,1067 8.509,1068 1,1069 10.474,1070 2.275,1071 6.111,1072 7.051,1073 3.279,1074 11.764,1075 6.002,1076 9.823,1077 0.636,1078 12.173,1079 2.136,1080 7.673,1081 9.023,1082 4.404,1083 14.318,1084 7.549,1085 11.158,1086 0.126,1087 13.896,1088 1.528,1089 8.299,1090 9.726,1091 4.776,1092 16.218,1093 8.151,1094 12.511,1095 -0.138,1096 15.638,1097 0.315,1098 9.598,1099 11.446,1100 5.715,1101 18.58,1102 9.434,1103 3.022,1104 -0.414,1105 17.393,1106 -0.331,1107 10.44,1108 12.384,1109 6.236,1110 20.656,1111 10.255,1112 2.727,1113 9.641,1114 19.159,1115 -1.067,1116 11.615,1117 13.961,1118 7.072,1119 22.946,1120 11.413,1121 2.517,1122 7.864,1123 20.933,1124 3.844,1125 12.571,1126 15.042,1127 7.673,1128 25.11,1129 12.351,1130 2.414,1131 7.757,1132 22.715,1133 3.457,1134 13.691,1135 16.529,1136 8.449,1137 27.374,1138 13.454,1139 2.069,1140 6.921,1141 24.502,1142 2.996,1143 14.709,1144 17.702,1145 9.094,1146 29.583,1147 14.454,1148 1.754,1149 5.862,1150 26.295,1151 2.631,1152 15.805,1153 19.133,1154 9.838,1155 31.841,1156 15.534,1157 1.428,1158 4.998,1159 28.092,1160 2.246,1161 16.856,1162 20.365,1163 10.508,1164 34.074,1165 16.568,1166 8929,1167 12659,1168 20.167,1169 35.364,1170 42.806,1171 43.601,1172 42.841,1173 42.516,1174 42.518,1175 52.036,1176 8.199,1177 116.52,1178 41.773,1179 5.293,1180 5.779,1181 6.115,1182 5.042,1183 5.022,1184 6.844,1185 3.531,1186 16.349,1187 4.971,1188 6.469,1189 1.476,1190 1.503,1191 1.477,1192 1.466,1193 1.466,1194 1.794,1195 0.283,1196 4.018,1197 1.44,1198 4.02,1199 4.06,1200 3.949,1201 3.934,1202 7.427,1203 3.932,1204 3.939,1205 3.979,1206 3.858,1207 3.862,1208 4.762,1209 3.856,1210 3.821,1211 3.868,1212 3.706,1213 3.72,1214 4.726,1215 3.709,1216 3.566,1217 3.625,1218 3.473,1219 3.38,1220 4.327,1221 3.393,1222 3.342,1223 3.403,1224 3.206,1225 3.173,1226 4.069,1227 3.171,1228 3.149,1229 3.221,1230 2.988,1231 2.996,1232 3.822,1233 2.984,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.711,1239 2.91,1240 3.032,1241 3.11,1242 2.852,1243 2.901,1244 3.674,1245 2.88,1246 0.148,1247 0.13,1248 0.218,1249 0.138,1250 0.104,1251 4.293,1252 0.133,1253 3.779,1254 0.07,1255 6.313,1256 0.332,1257 4.005,1258 0.102,1259 3.022,1260 3.844,1261 2.017,1262 9.641,1263 2.971,1264 1.976,1265 1.947,1266 2.112,1267 2.093,1268 1.485,1269 2.101,1270 1.931,1271 1.895,1272 2.074,1273 2.049,1274 1.291,1275 2.06,1276 1.834,1277 1.784,1278 2.009,1279 1.947,1280 1.159,1281 1.97,1282 1.522,1283 1.462,1284 1.743,1285 1.731,1286 0.997,1287 1.738,1288 1.322,1289 1.262,1290 1.558,1291 1.527,1292 0.825,1293 1.54,1294 1.156,1295 1.087,1296 1.513,1297 1.376,1298 0.725,1299 1.429,1300 1.153,1301 1.064,1302 1.444,1303 1.361,1304 0.681,1305 1.393,1306 1.064,1307 0.993,1308 1.377,1309 1.258,1310 0.61,1311 1.304,1312 4.078,1314 5.371,1316 6.866,1318 8.449,1320 10.076,1328 9.357,1332 0.756,1333 4.632,1340 32.606,1341 70.116,1342 156.73,1343 214.851,1344 245.645,1345 266.764,1346 272.764,1347 37.65,1348 7.484,1349 23.55,1350 23.55,1351 24,1352 12.283,1353 3.807,1354 3,1355 38.407,1356 115,1357 104,1358 0.162,1359 198.914,1360 347.53,1361 477.11,1362 20237,1364 17.769,1365 0.683,1366 0.594,1367 17.769,1368 15.44,1369 12.776,1370 0.441,1371 0.341,1372 9.812,1373 12.508,1374 9.579,1375 7.906,1376 12.776,1377 9.886,1378 11.217,1379 0.288,1380 0.199,1381 11.217,1382 7.755,1383 9.455,1384 0.189,1385 0.119,1386 9.455,1387 5.937,1388 7.698,1389 0.122,1390 0.068,1391 7.698,1392 4.27,1393 6.592,1394 0.08,1395 0.04,1396 6.592,1397 3.289,1398 0.263,1399 78.421,1400 0.223,1401 25.783,1402 0.419,1403 136,1404 295.026,1405 142.71,1406 292.246,1407 402.91,1408 276,1409 157,1410 291.566,1411 164.489,1412 300.272,1413 435.51,1414 283,1415 7.77}
{0 CHEMBL140999,1 1.402,2 15.235,3 4.928,4 24.282,5 133.35,6 7.3,7 0.474,8 4.209,9 4.32,10 3.769,11 3.824,12 5.272,13 3.786,14 4.774,15 4.938,16 4.133,17 4.244,18 5.793,19 4.182,20 5.088,21 5.296,22 4.221,23 4.396,24 6.107,25 4.303,26 5.188,27 5.427,28 4.118,29 4.335,30 6.281,31 4.223,32 5.075,33 5.318,34 4.033,35 4.256,36 6.069,37 4.151,38 5.003,39 5.223,40 4.043,41 4.261,42 6.077,43 4.153,44 5.008,45 5.233,46 3.974,47 4.209,48 6.103,49 4.093,50 4.889,51 5.115,52 3.83,53 4.049,54 5.974,55 3.942,56 0.019,57 0.824,58 12.378,59 5.944,60 6.475,61 7.744,62 0.227,63 1.444,64 23.892,65 10.041,66 17.597,67 13.501,68 0.176,69 1.868,70 34.98,71 14.459,72 37.713,73 19.539,74 0.504,75 1.985,76 41.697,77 15.518,78 106.851,79 20.862,80 0.404,81 1.792,82 37.259,83 13.734,84 73.437,85 18.504,86 0.435,87 1.687,88 33.275,89 13.194,90 73.825,91 17.807,92 0.379,93 1.638,94 34.03,95 13.514,96 89.735,97 18.023,98 0.458,99 1.468,100 30.808,101 11.228,102 74.994,103 14.827,104 10,105 53,106 0.223,107 0.488,108 0.636,109 0.765,110 0.829,111 0.84,112 3.56,113 0.944,114 -5.67,115 -5.54,116 -5.17,121 46.8,123 3,124 1,127 4,144 13,145 5,159 1,160 2,176 21,179 2,180 10,187 22,192 14,200 13,205 1,206 17,214 12,219 7,227 19,231 3,232 6,239 23,243 1,244 5,251 16,255 2,256 10,264 9,269 9,277 4,281 2266,282 23.344,283 23.344,284 23.344,285 23.344,286 23.344,287 20.955,288 19.693,289 13.828,290 23.491,291 18.74,292 18.74,293 18.74,294 18.74,295 18.74,296 15.043,297 21.301,298 6.595,299 18.921,300 4.552,301 2.888,302 1.958,303 1.145,304 0.742,305 0.677,306 4.269,312 1,313 1146,314 3.317,317 82.284,318 467.611,321 152.883,325 2.498,326 37.369,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 72,338 518,339 4.617,340 3.955,341 6.974,342 4.313,343 3.321,344 4.222,345 1.349,346 11.736,347 3.291,348 4.272,349 3.578,350 6.389,351 3.955,352 2.936,353 3.775,354 0.916,355 9.666,356 2.985,357 3.941,358 3.256,359 5.709,360 3.689,361 2.725,362 3.457,363 0.8,364 7.794,365 2.633,366 3.712,367 3.018,368 5.613,369 3.476,370 2.479,371 3.155,372 0.172,373 7.415,374 2.471,375 3.601,376 2.574,377 5.501,378 3.293,379 2.309,380 2.675,382 6.903,383 2.272,384 3.446,385 2.477,386 5.324,387 3.083,388 2.095,389 2.636,391 6.525,392 2.096,393 3.321,394 2.248,395 5.174,396 3.037,397 2.031,398 2.512,400 5.988,401 1.996,402 3.155,403 2.18,404 4.951,405 2.916,406 1.93,407 2.234,409 5.837,410 1.888,411 2.917,412 1.849,413 3.912,414 2.478,415 1.474,416 2.072,418 3.303,419 1.478,420 2.821,421 1.709,422 3.709,423 2.415,424 1.42,425 1.918,427 3.044,428 1.412,429 2.533,430 1.514,431 3.602,432 2.031,433 1.01,434 1.5,436 2.461,437 1.026,438 2.5,439 1.323,440 3.518,441 2,442 1,443 1.5,445 2.275,446 1,447 2.5,448 1.271,449 3.414,450 2,451 1,452 1.479,454 2.136,455 1,456 2.36,457 1.077,458 3.338,459 1.984,460 1,461 1.135,463 2.136,464 0.983,465 2.13,466 1,467 3.247,468 1.883,469 0.868,470 1,472 2.128,473 0.874,474 16.3,475 0.479,476 0.747,477 0.022,478 43.75,479 1.287,480 22.5,481 0.662,482 21.25,483 0.625,484 29.57,485 0.87,486 35.3,487 0.569,488 34.466,489 1.014,490 8.505,491 0.25,492 8.092,493 0.238,494 0.061,496 0.325,501 0.565,502 1.198,503 0.773,504 1.023,505 0.483,506 0.939,507 0.663,508 1.048,509 0.93,510 0.988,511 0.528,512 0.98,513 0.795,514 1.132,515 0.932,516 1.113,517 0.696,518 1.047,519 1.196,520 1.009,521 1.012,522 0.979,523 1.146,524 0.972,525 1.263,526 0.858,527 0.974,528 0.838,529 1.212,530 0.859,531 0.858,532 0.934,533 0.996,534 1.003,535 0.886,536 1.012,537 1.051,538 1.07,539 1.012,540 1.068,541 1.15,542 1.047,543 1.438,544 0.984,545 1.127,546 0.961,547 1.526,548 1.001,549 5.5,550 0.186,551 3.778,552 2.924,553 1.458,554 0.997,555 0.923,556 0.589,557 0.303,558 0.22,559 19721,560 46329,561 2.145,562 45.2,563 1,564 21,569 6,572 1.755,573 2.04,574 3.852,575 -0.846,582 86.918,583 1.402,584 3.066,585 3.996,586 4.809,587 5.212,588 5.277,589 3.329,590 4.735,591 5.054,592 4.041,593 2267.18,594 8.837,595 36151.1,597 1,600 369.16,601 1.286,602 5.033,603 0.145,604 0.007,605 0.071,606 0.053,607 0.031,608 0.022,609 0.021,610 0.014,611 0.009,612 0.007,613 0.38,614 0.33,615 0.75,616 0.459,617 185.648,618 0.007,619 -0.106,620 0.057,621 -0.012,622 -0.001,623 0.019,624 0.067,625 0.051,626 -0.034,627 -0.014,628 0.027,629 -0.031,630 0.024,631 -0.127,632 0.018,633 -0.126,634 0.078,635 -0.063,636 0.005,637 -0.036,638 0.015,639 -0.01,640 0.071,641 0.002,642 -0.113,643 0.131,644 0.049,645 0.128,646 -0.086,647 0.115,648 0.121,649 0.062,650 -0.016,651 -0.023,652 0.072,653 -0.033,654 0.053,655 -0.123,656 -0.011,657 -0.077,658 0.037,659 -0.058,660 -0.066,661 0.003,662 -0.093,663 -0.002,664 -0.125,665 -0.047,666 1.954,667 6.032,668 0.794,669 46.114,670 0.995,671 1.113,672 4.445,673 19.754,674 0.682,675 3.664,676 3.989,677 4.29,678 4.543,679 4.771,680 4.812,681 4.99,682 5.142,683 5.226,684 5.298,685 8.632,686 0.646,687 452.59,688 3.664,689 5.209,690 6.071,691 6.948,692 7.824,693 8.71,694 9.594,695 10.486,696 11.377,697 12.273,698 3.2,701 1,705 1,715 13,720 5,722 18,727 1,741 62,743 21,744 3,745 38,747 66,748 29,749 18,750 5,751 13,752 3,756 5,757 6,767 2,768 1,770 3,772 21,773 8,774 1,777 3,782 3,786 3,793 28,794 5,796 5,802 2,805 1,808 0.8,809 3,828 1,829 4,832 1,855 1,859 4,868 34,876 7,880 1,881 2,893 4.8,896 3,901 16.667,902 11.067,903 7.444,904 3.979,907 2.958,908 1.354,909 1.004,910 6.49,911 11.308,912 3.932,913 4.472,914 5.035,915 5.544,916 6.041,917 6.175,918 6.566,919 6.816,920 7.078,921 7.278,922 1,923 55,924 12.729,926 5.607,927 0.026,929 7.74,931 24.519,933 20.919,936 2.24,937 76.167,941 329.591,942 169.688,943 6.249,945 75.435,948 169.688,949 405.026,950 6.249,952 19.151,953 123.191,954 89.978,955 19.052,957 329.591,959 329.591,960 175.937,961 75.435,964 258.964,965 146.061,968 22.275,969 153.662,972 329.591,973 81.683,974 169.688,977 329.591,978 46.497,979 129.44,981 75.435,982 329.591,983 81.683,984 169.688,986 0.581,987 0.347,988 0.186,989 0.1,990 26,991 11,992 0.106,993 7,994 1,995 1.074,996 4.645,997 316.619,998 0.074,999 27,1000 160.974,1005 22.405,1006 9.848,1007 4.801,1009 81.683,1010 24.317,1015 3.058,1018 580.963,1019 50,1024 38.706,1028 -0.686,1031 61.672,1032 69.022,1034 0.235,1035 0.515,1036 0.671,1037 0.808,1038 0.875,1039 0.886,1040 5.173,1041 1.93,1042 6.047,1043 5.988,1044 4.673,1045 5.159,1046 1.988,1047 6.862,1048 4.658,1049 6.352,1050 1.474,1051 7.608,1052 5.837,1053 4.205,1054 4.808,1055 0.57,1056 7.766,1057 4.188,1058 7.642,1059 1.42,1060 9.273,1061 3.303,1062 6.267,1063 7.249,1064 2.147,1065 10.9,1066 6.235,1067 8.966,1068 1.01,1069 11,1070 3.044,1071 6.661,1072 7.746,1073 1.104,1074 12.681,1075 6.634,1076 10.326,1077 1,1078 12.768,1079 2.461,1080 8.167,1081 9.647,1082 2.46,1083 15.341,1084 8.124,1085 11.713,1086 1,1087 14.565,1088 2.275,1089 8.967,1090 10.562,1091 1.71,1092 17.504,1093 8.93,1094 13.122,1095 1,1096 16.385,1097 2.136,1098 10.254,1099 12.223,1100 2.87,1101 20.015,1102 10.205,1103 3.321,1104 0.868,1105 18.222,1106 2.136,1107 11.253,1108 13.362,1109 2.357,1110 22.344,1111 11.206,1112 2.936,1113 11.736,1114 20.074,1115 2.128,1116 12.458,1117 14.905,1118 3.342,1119 24.81,1120 12.401,1121 2.725,1122 9.666,1123 21.938,1124 4.222,1125 13.552,1126 16.168,1127 3.014,1128 27.211,1129 13.492,1130 2.479,1131 7.794,1132 23.812,1133 3.775,1134 14.731,1135 17.651,1136 3.854,1137 29.664,1138 14.663,1139 2.309,1140 7.415,1141 25.695,1142 3.457,1143 15.87,1144 18.985,1145 3.667,1146 32.096,1147 15.796,1148 2.095,1149 6.903,1150 27.586,1151 3.155,1152 17.045,1153 20.438,1154 4.391,1155 34.549,1156 16.963,1157 2.031,1158 6.525,1159 29.484,1160 2.675,1161 18.207,1162 21.813,1163 4.311,1164 36.995,1165 18.117,1166 18188,1167 28097,1168 25.948,1169 42.273,1170 57.786,1171 60.196,1172 58.248,1173 57.008,1174 56.978,1175 72.912,1176 6.475,1177 163.152,1178 56.658,1179 5.617,1180 5.955,1181 6.776,1182 5.348,1183 5.321,1184 7.222,1185 2.549,1186 18.978,1187 5.291,1188 13.207,1189 1.521,1190 1.584,1191 1.533,1192 1.5,1193 1.499,1194 1.919,1195 0.17,1196 4.293,1197 1.491,1198 4.067,1199 4.088,1200 4.031,1201 3.985,1202 7.447,1203 3.992,1204 3.946,1205 3.987,1206 3.862,1207 3.865,1208 7.427,1209 3.859,1210 3.883,1211 3.91,1212 3.825,1213 3.81,1214 7.408,1215 3.809,1216 3.816,1217 3.86,1218 3.703,1219 3.718,1220 4.764,1221 3.707,1222 3.542,1223 3.594,1224 3.467,1225 3.363,1226 4.731,1227 3.383,1228 3.334,1229 3.379,1230 3.218,1231 3.168,1232 4.612,1233 3.174,1234 3.134,1235 3.206,1236 3.04,1237 2.982,1238 4.323,1239 2.981,1240 3.111,1241 3.183,1242 2.944,1243 2.941,1244 3.981,1245 2.91,1246 0.121,1247 0.104,1248 0.184,1249 0.113,1250 0.087,1251 4.617,1252 0.111,1253 3.955,1254 0.035,1255 6.974,1256 0.309,1257 4.313,1258 0.087,1259 3.321,1260 4.222,1261 1.349,1262 11.736,1263 3.291,1264 1.962,1265 1.948,1266 2.1,1267 2.068,1268 1.482,1269 2.082,1270 1.934,1271 1.896,1272 2.05,1273 2.034,1274 1.165,1275 2.038,1276 1.84,1277 1.808,1278 2.013,1279 1.956,1280 1.154,1281 1.977,1282 1.83,1283 1.79,1284 1.935,1285 1.903,1286 1.03,1287 1.915,1288 1.52,1289 1.462,1290 1.737,1291 1.767,1292 1.011,1293 1.753,1294 1.248,1295 1.203,1296 1.513,1297 1.479,1298 0.825,1299 1.472,1300 1.176,1301 1.168,1302 1.465,1303 1.376,1304 0.691,1305 1.429,1306 1.153,1307 1.064,1308 1.295,1309 1.35,1310 0.44,1311 1.317,1312 4.344,1314 5.666,1315 2.398,1316 7.189,1317 4.949,1318 8.795,1319 7.195,1320 10.444,1328 6.435,1332 0.506,1333 3.83,1340 40.036,1341 86.918,1342 190.081,1343 247.77,1344 298.141,1345 323.16,1346 327.16,1347 72.929,1348 8.35,1349 59.38,1350 59.38,1351 29,1352 12.799,1353 4.459,1354 3.7,1355 50.354,1356 174,1357 186,1358 0.137,1359 242.43,1360 432.45,1361 583.289,1362 58232,1364 23.493,1365 0.691,1366 0.563,1367 23.493,1368 19.152,1369 16.597,1370 0.437,1371 0.315,1372 11.863,1373 16.211,1374 11.617,1375 9.584,1376 16.597,1377 11.962,1378 14.744,1379 0.278,1380 0.174,1381 14.744,1382 9.211,1383 13.1,1384 0.182,1385 0.097,1386 13.1,1387 6.986,1388 10.76,1389 0.116,1390 0.054,1391 10.76,1392 4.978,1393 8.715,1394 0.074,1395 0.031,1396 8.715,1397 3.632,1398 0.222,1399 102.466,1400 0.196,1401 32.153,1402 0.357,1403 182,1404 482.497,1405 193.362,1406 471.032,1407 641.29,1408 440,1409 216,1410 463.543,1411 228.805,1412 473.759,1413 698,1414 447,1415 8.62}
{0 CHEMBL141001,1 1.568,2 12.655,3 3.418,4 11.682,5 110.099,6 7.567,7 0.375,8 4.052,9 4.164,10 3.634,11 3.6,12 5.173,13 3.58,14 4.626,15 4.792,16 4.001,17 4.032,18 5.788,19 3.987,20 4.933,21 5.145,22 4.084,23 4.191,24 5.956,25 4.115,26 5.059,27 5.298,28 4.042,29 4.135,30 6.207,31 4.049,32 4.963,33 5.206,34 3.945,35 4.009,36 6.224,37 3.932,38 4.795,39 5.02,40 3.761,41 3.962,42 5.987,43 3.856,44 4.794,45 5.03,46 3.607,47 3.906,48 5.794,49 3.778,50 4.643,51 4.883,52 3.49,53 3.737,54 5.666,55 3.619,56 0.126,57 0.758,58 10.182,59 4.824,60 10.298,61 6.243,62 0.357,63 1.271,64 20.285,65 8.208,66 48.83,67 11.037,68 0.26,69 1.599,70 29.784,71 11.604,72 44.61,73 15.947,74 0.639,75 1.672,76 36.91,77 12.431,78 111.109,79 17.329,80 0.876,81 1.476,82 34.607,83 10.764,84 142.271,85 15.017,86 0.592,87 1.302,88 27.634,89 9.977,90 115.778,91 13.562,92 0.446,93 1.249,94 28.319,95 10.238,96 90.023,97 13.838,98 0.522,99 1.083,100 24.731,101 8.293,102 82.517,103 11.388,104 18,105 45,106 0.26,107 0.55,108 0.692,109 0.788,110 0.832,111 0.832,112 3.408,113 0.932,114 -4.83,115 -4.74,116 -4.45,121 42.3,123 3,124 1,127 4,144 8,145 3,146 1,160 2,168 2,176 13,179 3,180 10,187 13,192 14,200 5,205 3,206 17,214 4,218 5,219 7,227 8,231 3,232 5,239 14,244 3,251 10,255 2,256 7,264 7,269 7,277 1,281 1325,282 19.621,283 19.621,284 19.621,285 19.621,286 19.621,287 17.679,288 23.355,289 11.545,290 19.844,291 15.769,292 15.769,293 15.769,294 15.769,295 15.769,296 12.794,297 26.973,298 5.46,299 16.081,300 4.133,301 2.387,302 1.534,303 0.952,304 0.692,305 0.692,306 4.104,311 1,312 1,313 798,314 3.24,317 65.925,318 286.148,321 128.694,325 1.99,326 40.916,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 63.5,338 367,339 4.692,340 3.993,341 7.118,342 4.366,343 3.377,344 4.366,345 2.612,346 12.296,347 3.334,348 4.086,349 3.751,350 6.201,351 3.697,352 2.733,353 3.565,354 1.349,355 8.911,356 2.64,357 3.941,358 3.253,359 5.621,360 3.635,361 2.67,362 3.457,363 0.916,364 7.788,365 2.574,366 3.612,367 3.018,368 5.579,369 3.463,370 2.465,371 2.757,372 0.8,373 7.016,374 2.459,375 3.476,376 2.577,377 5.329,378 3.123,379 2.139,380 2.628,381 0.172,382 6.751,383 2.111,384 3.363,385 2.496,386 5.231,387 3.016,388 2.041,389 2.563,391 5.864,392 1.969,393 3.165,394 2.244,395 4.951,396 2.832,397 1.831,398 2.238,400 5.557,401 1.815,402 2.838,403 1.832,404 3.815,405 2.422,406 1.425,407 1.953,409 3.102,410 1.419,411 2.793,412 1.593,413 3.724,414 2.358,415 1.364,416 1.882,418 3.038,419 1.354,420 2.585,421 1.514,422 3.598,423 2,424 1,425 1.5,427 2.311,428 1,429 2.5,430 1.334,431 3.482,432 1.984,433 1,434 1.495,436 2.275,437 0.983,438 2.129,439 1.077,440 3.414,441 1.957,442 0.936,443 1,445 2.136,446 0.952,447 2,448 1,449 3.247,450 1.859,451 0.851,452 0.977,454 2.046,455 0.852,456 1.435,457 1,458 2.922,459 1.201,460 0.198,461 0.227,463 0.492,464 0.196,465 1.118,466 0.667,467 2.678,468 0.875,469 -0.139,470 -0.167,472 -0.344,473 -0.14,474 13.533,475 0.467,476 0.716,477 0.025,478 36.75,479 1.267,480 18,481 0.621,482 18.75,483 0.647,484 24.415,485 0.842,486 31.467,487 0.605,488 28.157,489 0.971,490 7.068,491 0.244,492 6.974,493 0.24,494 0.099,496 0.347,501 0.422,502 1.277,503 0.721,504 1.075,505 0.449,506 0.98,507 0.535,508 1.095,509 0.868,510 1.017,511 0.401,512 0.997,513 0.655,514 1.185,515 0.874,516 1.158,517 0.552,518 1.07,519 0.874,520 1.066,521 0.916,522 1.045,523 0.846,524 0.999,525 0.974,526 0.817,527 0.926,528 0.829,529 0.971,530 0.855,531 0.798,532 0.899,533 1.055,534 1.03,535 0.762,536 1.079,537 1.028,538 1.007,539 1.109,540 1.077,541 1.113,542 1.115,543 1.062,544 0.927,545 1.106,546 0.939,547 1.162,548 1.026,549 5,550 0.157,551 3.111,552 2.736,553 1.632,554 1.063,555 0.53,556 0.364,557 0.224,558 0.161,559 11885,560 32981,561 2.09,562 44.2,563 1,564 16,569 6,572 1.714,573 1.955,574 3.578,575 -0.751,577 1,582 81.519,583 1.568,584 3.314,585 4.166,586 4.748,587 5.008,588 5.008,589 3.057,590 4.237,591 4.829,592 3.791,593 1539.31,594 8.38,595 21469.6,597 1,599 1,600 296.423,601 1.416,602 4.788,603 0.156,604 0.008,605 0.069,606 0.058,607 0.039,608 0.028,609 0.017,610 0.013,611 0.009,612 0.007,613 0.405,614 0.17,615 1,616 0.729,617 149.477,618 0.158,619 -0.076,620 0.066,621 -0.002,622 0.03,623 0.001,624 0.137,625 0.042,626 -0.006,627 0.003,628 0.149,629 -0.022,630 0.018,631 -0.165,632 0.043,633 -0.144,634 0.059,635 -0.058,636 0.075,637 -0.118,638 0.089,639 -0.081,640 0.085,641 -0.008,642 0.137,643 0.129,644 0.115,645 0.111,646 0.132,647 0.112,648 0.089,649 0.072,650 -0.084,651 -0.039,652 0.119,653 -0.081,654 -0.112,655 -0.099,656 -0.118,657 -0.076,658 -0.141,659 -0.098,660 -0.066,661 0.006,662 -0.096,663 0.031,664 -0.153,665 -0.034,666 2.601,667 5.653,668 0.724,669 30.347,670 1.009,671 1.125,672 3.604,673 12.988,674 0.662,675 3.497,676 3.829,677 4.127,678 4.407,679 4.625,680 4.625,681 4.727,682 4.804,683 4.852,684 4.883,685 7.433,686 0.638,687 393.48,688 3.497,689 5.043,690 5.905,691 6.792,692 7.675,693 8.569,694 9.461,695 10.361,696 11.26,697 12.165,698 5.8,701 1,705 1,709 1,715 8,720 4,722 12,735 1,741 52,743 16,744 2,745 32,747 55,748 22,749 12,750 4,751 8,752 2,756 4,757 5,767 2,768 1,770 3,772 14,773 8,774 1,777 4,779 1,782 4,786 2,790 1,793 23,794 6,796 7,802 3,805 1,808 0.75,809 4,828 1,829 3,832 1,855 1,859 3,868 29,876 7,880 1,881 2,893 7.7,896 2,899 2,901 14.833,902 9.267,903 6.361,904 3.325,907 2.34,908 1.302,909 0.976,910 5.636,911 10.095,912 3.761,913 4.304,914 4.824,915 5.352,916 5.831,917 5.891,918 6.166,919 6.295,920 6.415,921 6.354,922 1,923 47,924 10.863,926 4.835,927 0.026,929 7.977,931 20.519,933 17.417,936 2.477,937 71.833,939 1,940 1,941 270.735,942 113.559,943 11.919,945 101.037,948 113.559,949 371.772,950 11.919,951 5.67,952 19.151,953 75.81,954 59.699,955 15.438,957 270.735,958 50.747,959 270.735,960 125.478,961 101.037,964 200.109,965 120.916,966 50.747,968 22.275,969 97.533,970 5.67,972 270.735,973 112.955,974 113.559,977 270.735,978 37.749,979 87.729,981 101.037,982 270.735,983 112.955,984 113.559,986 0.583,987 0.348,988 0.192,989 0.106,990 22,991 10,992 0.109,993 6,994 1,995 1.095,996 4.111,997 253.106,998 0.095,999 21,1000 130.881,1005 19.596,1006 8.34,1007 4.036,1009 107.285,1010 14.6,1015 1.082,1018 497.25,1019 42,1021 -0.601,1024 47.648,1028 -0.964,1031 52.451,1032 58.485,1034 0.275,1035 0.581,1036 0.731,1037 0.833,1038 0.879,1039 0.879,1040 5.011,1041 1.425,1042 5.894,1043 5.557,1044 4.511,1045 4.99,1046 2.918,1047 6.73,1048 4.476,1049 6.197,1050 1.364,1051 7.469,1052 3.102,1053 4.111,1054 4.796,1055 2.431,1056 7.703,1057 4.052,1058 7.5,1059 1,1060 9.149,1061 3.038,1062 6.12,1063 7.103,1064 4.267,1065 10.851,1066 6.043,1067 8.837,1068 1,1069 10.892,1070 2.311,1071 6.567,1072 7.756,1073 4.528,1074 12.721,1075 6.471,1076 10.212,1077 0.936,1078 12.679,1079 2.275,1080 8.05,1081 9.56,1082 5.975,1083 15.417,1084 7.938,1085 11.614,1086 0.851,1087 14.496,1088 2.136,1089 8.897,1090 10.617,1091 6.562,1092 17.67,1093 8.772,1094 13.038,1095 0.198,1096 16.338,1097 2.046,1098 10.182,1099 12.223,1100 7.801,1101 20.231,1102 10.043,1103 3.377,1104 -0.139,1105 18.199,1106 0.492,1107 11.221,1108 13.48,1109 8.55,1110 22.641,1111 11.073,1112 2.733,1113 12.296,1114 20.076,1115 -0.344,1116 12.439,1117 15.004,1118 9.672,1119 25.162,1120 12.278,1121 2.67,1122 8.911,1123 21.967,1124 4.366,1125 13.568,1126 16.362,1127 10.509,1128 27.632,1129 13.398,1130 2.465,1131 7.788,1132 23.869,1133 3.565,1134 14.768,1135 17.851,1136 11.564,1137 30.143,1138 14.588,1139 2.139,1140 7.016,1141 25.781,1142 3.457,1143 15.94,1144 19.262,1145 12.452,1146 32.636,1147 15.75,1148 2.041,1149 6.751,1150 27.701,1151 2.757,1152 17.14,1153 20.738,1154 13.468,1155 35.145,1156 16.94,1157 1.831,1158 5.864,1159 29.628,1160 2.628,1161 18.331,1162 22.177,1163 14.386,1164 37.647,1165 18.122,1166 11228,1167 19005,1168 21.383,1169 34.449,1170 48.482,1171 51.187,1172 49.716,1173 48.088,1174 48.064,1175 61.215,1176 11.7,1177 139.166,1178 47.316,1179 5.692,1180 5.993,1181 6.92,1182 5.401,1183 5.377,1184 7.366,1185 4.612,1186 19.914,1187 5.334,1188 13.967,1189 1.515,1190 1.6,1191 1.554,1192 1.503,1193 1.502,1194 1.913,1195 0.366,1196 4.349,1197 1.479,1198 4.077,1199 4.099,1200 4.053,1201 3.955,1202 7.815,1203 3.971,1204 3.949,1205 3.993,1206 3.864,1207 3.864,1208 7.446,1209 3.859,1210 3.824,1211 3.87,1212 3.715,1213 3.719,1214 7.408,1215 3.708,1216 3.629,1217 3.664,1218 3.602,1219 3.348,1220 6.999,1221 3.378,1222 3.435,1223 3.484,1224 3.336,1225 3.135,1226 4.757,1227 3.175,1228 3.279,1229 3.331,1230 3.164,1231 3.045,1232 4.629,1233 3.093,1234 3.111,1235 3.206,1236 2.906,1237 2.941,1238 4.323,1239 2.91,1240 3.062,1241 3.131,1242 2.883,1243 2.919,1244 3.987,1245 2.902,1246 0.147,1247 0.125,1248 0.222,1249 0.136,1250 0.106,1251 4.692,1252 0.136,1253 3.993,1254 0.082,1255 7.118,1256 0.384,1257 4.366,1258 0.104,1259 3.377,1260 4.366,1261 2.612,1262 12.296,1263 3.334,1264 1.934,1265 1.897,1266 2.1,1267 2.072,1268 1.482,1269 2.082,1270 1.913,1271 1.896,1272 2.013,1273 2.067,1274 1.165,1275 2.026,1276 1.84,1277 1.79,1278 1.983,1279 1.956,1280 1.106,1281 1.977,1282 1.523,1283 1.466,1284 1.737,1285 1.773,1286 1.012,1287 1.756,1288 1.273,1289 1.23,1290 1.513,1291 1.65,1292 0.825,1293 1.557,1294 1.161,1295 1.115,1296 1.466,1297 1.466,1298 0.691,1299 1.449,1300 1.153,1301 1.064,1302 1.321,1303 1.376,1304 0.439,1305 1.429,1306 1.013,1307 0.994,1308 1.181,1309 1.254,1310 0.264,1311 1.259,1312 4.174,1314 5.501,1315 2.398,1316 7.027,1317 4.949,1318 8.643,1319 7.209,1320 10.307,1328 6.021,1332 0.446,1333 3.602,1340 33.191,1341 81.519,1342 172.31,1343 216.648,1344 246.913,1345 260.423,1346 260.423,1347 71.119,1348 7.756,1349 88.13,1350 88.13,1351 23,1352 12.685,1353 4.087,1354 3.459,1355 45.064,1356 131,1357 132,1358 0.168,1359 202.25,1360 362.32,1361 485.249,1362 27066,1364 20.38,1365 0.703,1366 0.556,1367 20.38,1368 16.121,1369 14.042,1370 0.439,1371 0.311,1372 9.813,1373 13.472,1374 9.648,1375 7.942,1376 14.042,1377 9.942,1378 12.666,1379 0.281,1380 0.171,1381 12.666,1382 7.713,1383 10.819,1384 0.177,1385 0.097,1386 10.819,1387 5.891,1388 9.148,1389 0.113,1390 0.053,1391 9.148,1392 4.257,1393 7.481,1394 0.074,1395 0.031,1396 7.481,1397 3.109,1398 0.271,1399 88.454,1400 0.216,1401 27.958,1402 0.443,1403 154,1404 481.877,1405 169.435,1406 459.74,1407 609.56,1408 424,1409 183,1410 440.271,1411 199.465,1412 439.383,1413 643.41,1414 412,1415 8.046}
{0 CHEMBL141042,1 1.384,2 12.444,3 3.558,4 12.661,5 107.324,6 6.84,7 0.4,8 4.045,9 4.168,10 3.551,11 3.626,12 5.034,13 3.579,14 4.634,15 4.818,16 3.9,17 4.05,18 5.563,19 3.972,20 4.961,21 5.187,22 3.973,23 4.224,24 5.861,25 4.109,26 5.056,27 5.314,28 3.864,29 4.164,30 6.039,31 4.019,32 4.973,33 5.252,34 3.712,35 4.04,36 5.854,37 3.896,38 4.802,39 5.052,40 3.638,41 3.983,42 5.683,43 3.841,44 4.791,45 5.038,46 3.529,47 3.935,48 5.686,49 3.774,50 4.694,51 4.968,52 3.363,53 3.784,54 5.551,55 3.609,56 0.032,57 0.738,58 11.709,59 5.207,60 5.73,61 7.112,62 0.241,63 1.277,64 22.461,65 8.772,66 17.329,67 12.427,68 0.226,69 1.646,70 32.165,71 12.425,72 30.678,73 17.488,74 0.406,75 1.702,76 36.627,77 13.408,78 76.378,79 19.02,80 0.388,81 1.548,82 34.362,83 11.806,84 62.148,85 16.876,86 0.285,87 1.342,88 28.102,89 10.605,90 38.912,91 14.828,92 0.261,93 1.277,94 27.887,95 10.813,96 47.377,97 14.894,98 0.367,99 1.158,100 25.785,101 9.44,102 48.022,103 13.418,104 5,105 41,106 0.231,107 0.514,108 0.682,109 0.777,110 0.833,111 0.841,112 3.339,113 0.989,114 -4.73,115 -4.65,116 -4.37,121 43.4,123 4,124 1,127 4,144 9,145 3,160 2,176 16,179 2,180 8,187 17,192 9,200 8,205 1,206 14,214 5,219 7,227 9,231 1,232 5,239 15,251 13,255 2,256 3,264 8,269 4,277 3,281 1087,282 18.568,283 18.568,284 18.568,285 18.568,286 18.568,287 16.868,288 21.308,289 11.123,290 18.735,291 14.822,292 14.822,293 14.822,294 14.822,295 14.822,296 12.264,297 25.699,298 5.316,299 15.058,300 4.344,301 2.643,302 1.635,303 1.068,304 0.731,305 0.679,306 4.041,310 1,311 1,312 1,313 740,314 2.646,318 334.105,322 129.887,325 1.951,326 24.266,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 57,338 336,339 4.463,340 3.94,341 6.746,342 4.175,343 3.187,344 4.005,345 2.024,346 10.914,347 3.146,348 3.941,349 3.356,350 5.928,351 3.691,352 2.727,353 3.457,354 1.101,355 8.136,356 2.635,357 3.792,358 3.018,359 5.615,360 3.505,361 2.518,362 3.071,363 0.916,364 7.782,365 2.487,366 3.592,367 2.745,368 5.327,369 3.407,370 2.419,371 2.631,372 0.281,373 6.928,374 2.38,375 3.394,376 2.562,377 5.181,378 3.064,379 2.07,380 2.573,381 0.172,382 6.005,383 2.081,384 3.171,385 2.25,386 4.953,387 3.018,388 2.026,389 2.239,391 5.86,392 1.962,393 2.884,394 1.832,395 3.939,396 2.444,397 1.446,398 2.044,400 3.116,401 1.441,402 2.823,403 1.595,404 3.715,405 2.414,406 1.418,407 1.924,409 3.043,410 1.411,411 2.586,412 1.514,413 3.594,414 2.162,415 1.155,416 1.569,418 2.93,419 1.157,420 2.5,421 1.314,422 3.47,423 2,424 1,425 1.5,427 2.275,428 1,429 2.186,430 1.077,431 3.414,432 1.984,433 1,434 1.053,436 2.136,437 0.983,438 2,439 1,440 3.247,441 1.89,442 0.876,443 1,445 2.089,446 0.882,447 1.443,448 0.711,449 2.994,450 1.246,451 0.247,452 0.277,454 0.619,455 0.244,456 1.284,457 0.609,458 2.762,459 0.936,460 -0.077,461 -0.09,463 -0.197,464 -0.077,465 1.118,466 0.274,467 2.615,468 0.883,469 -0.141,470 -0.18,472 -0.344,473 -0.145,474 12.967,475 0.48,476 0.554,477 0.021,478 32,479 1.185,480 15,481 0.556,482 17,483 0.63,484 24.026,485 0.89,486 29.033,487 0.548,488 21.996,489 0.815,490 6.118,491 0.227,492 7.086,493 0.262,494 0.051,496 0.293,501 0.608,502 1.316,503 0.84,504 1.11,505 0.479,506 1.016,507 0.701,508 1.097,509 0.989,510 1.027,511 0.522,512 1.026,513 0.938,514 1.121,515 1.025,516 1.101,517 0.815,518 1.071,519 1.012,520 1.091,521 1,522 1.062,523 0.974,524 1.035,525 1.352,526 0.831,527 0.981,528 0.807,529 1.285,530 0.841,531 1.117,532 0.894,533 1.072,534 0.988,535 1.124,536 1.016,537 1.253,538 1.062,539 1.127,540 1.101,541 1.477,542 1.113,543 1.061,544 0.893,545 1.038,546 0.916,547 1.247,548 0.974,549 4.5,550 0.14,551 2.667,552 1.625,553 1.551,554 0.646,555 0.463,556 0.328,557 0.176,558 0.082,559 10292,560 22846,561 2.142,562 49.1,563 1,564 17,568 2,569 6,572 1.694,573 2.051,574 3.565,575 -0.843,577 1,582 73.326,583 1.384,584 3.085,585 4.093,586 4.659,587 4.997,588 5.049,589 3.056,590 4.282,591 4.727,592 3.753,593 1317.31,594 8.168,595 17560.8,597 1,599 1,600 303.58,601 1.218,602 4.706,603 0.15,604 0.008,605 0.065,606 0.039,607 0.044,608 0.021,609 0.016,610 0.013,611 0.008,612 0.004,613 0.369,614 0.33,615 1,616 0.454,617 136.387,618 0.019,619 -0.151,620 0.065,621 -0.033,622 0.014,623 0.009,624 0.099,625 0.038,626 -0.042,627 -0.023,628 0.032,629 -0.043,630 -0.037,631 -0.095,632 -0.059,633 -0.111,634 0.009,635 -0.088,636 0.088,637 -0.135,638 -0.002,639 -0.1,640 0.146,641 -0.066,642 -0.12,643 0.125,644 0.042,645 0.127,646 -0.072,647 0.108,648 -0.073,649 0.087,650 -0.084,651 -0.015,652 -0.082,653 -0.043,654 -0.112,655 -0.137,656 -0.136,657 -0.112,658 -0.16,659 -0.129,660 0.04,661 0.039,662 -0.037,663 0.043,664 -0.097,665 -0.004,666 1.789,667 5.652,668 0.815,669 26.733,670 0.99,671 1.121,672 3.503,673 12.274,674 0.661,675 3.434,676 3.738,677 4.007,678 4.248,679 4.477,680 4.466,681 4.522,682 4.625,683 4.718,684 4.7,685 7.222,686 0.619,687 362.51,688 3.434,689 4.963,690 5.808,691 6.673,692 7.532,693 8.403,694 9.267,695 10.141,696 11.009,697 11.885,698 3.8,701 1,705 1,715 9,720 3,722 12,741 53,743 14,744 2,745 30,747 56,748 23,749 12,750 3,751 9,752 1,756 4,757 5,767 3,768 1,770 4,772 14,773 9,774 1,777 2,782 2,786 2,790 1,793 26,794 4,796 4,802 2,805 1,808 0.75,809 2,829 4,833 1,855 1,859 3,868 27,876 8,880 1,881 2,893 3.8,896 2,901 13.167,902 9.317,903 5.944,904 3.444,907 2.154,908 1.285,909 0.988,910 5.471,911 9.717,912 3.664,913 4.159,914 4.64,915 5.115,916 5.544,917 5.529,918 5.713,919 5.903,920 6.039,921 6.044,922 1,923 42,924 10.096,926 4.36,927 0.026,929 7.636,931 19.805,933 16.9,936 2.136,937 57.667,939 1,940 1,941 306.049,942 122.813,943 6.249,945 50.29,948 122.813,949 356.339,950 6.249,952 21.685,953 85.286,954 59.699,955 12.681,957 306.049,959 306.049,960 129.062,961 50.29,964 235.422,965 120.916,968 24.81,969 104.252,972 306.049,973 56.538,974 122.813,977 306.049,978 37.527,979 91.535,981 50.29,982 306.049,983 56.538,984 122.813,986 0.576,987 0.339,988 0.184,989 0.101,990 20,991 8,992 0.089,993 5,994 1,995 1.091,996 4.046,997 225.391,998 0.091,999 22,1000 120.382,1005 18.095,1006 8.163,1007 4.181,1009 56.538,1010 18.057,1015 2.909,1018 485.4,1019 38,1024 25.044,1028 -0.177,1031 52.461,1032 59.398,1034 0.242,1035 0.539,1036 0.715,1037 0.813,1038 0.872,1039 0.881,1040 4.898,1041 1.418,1042 5.771,1043 3.116,1044 4.419,1045 4.844,1046 2.488,1047 6.553,1048 4.39,1049 6.051,1050 1.155,1051 7.309,1052 3.043,1053 3.892,1054 4.425,1055 1.738,1056 7.387,1057 3.844,1058 7.322,1059 1,1060 8.948,1061 2.93,1062 5.979,1063 6.855,1064 3.311,1065 10.498,1066 5.913,1067 8.623,1068 1,1069 10.649,1070 2.275,1071 6.293,1072 7.258,1073 3.296,1074 12.191,1075 6.21,1076 9.959,1077 0.876,1078 12.392,1079 2.136,1080 7.82,1081 9.167,1082 4.461,1083 14.823,1084 7.718,1085 11.318,1086 0.247,1087 14.164,1088 2.089,1089 8.545,1090 9.985,1091 4.801,1092 16.89,1093 8.429,1094 12.698,1095 -0.077,1096 15.958,1097 0.619,1098 9.834,1099 11.656,1100 5.755,1101 19.365,1102 9.702,1103 3.187,1104 -0.141,1105 17.769,1106 -0.197,1107 10.769,1108 12.704,1109 6.269,1110 21.604,1111 10.625,1112 2.727,1113 10.914,1114 19.595,1115 -0.344,1116 11.96,1117 14.248,1118 7.11,1119 24.024,1120 11.801,1121 2.518,1122 8.136,1123 21.432,1124 4.005,1125 13.001,1126 15.431,1127 7.712,1128 26.343,1129 12.831,1130 2.419,1131 7.782,1132 23.28,1133 3.457,1134 14.156,1135 16.905,1136 8.492,1137 28.743,1138 13.973,1139 2.07,1140 6.928,1141 25.136,1142 3.071,1143 15.25,1144 18.168,1145 9.141,1146 31.099,1147 15.056,1148 2.026,1149 6.005,1150 27,1151 2.631,1152 16.394,1153 19.601,1154 9.888,1155 33.493,1156 16.189,1157 1.446,1158 5.86,1159 28.87,1160 2.573,1161 17.516,1162 20.913,1163 10.561,1164 35.866,1165 17.3,1166 9578,1167 14403,1168 20.572,1169 35.057,1170 44.653,1171 46.419,1172 45.237,1173 44.172,1174 44.175,1175 54.685,1176 8.99,1177 123.666,1178 43.623,1179 5.463,1180 5.94,1181 6.548,1182 5.213,1183 5.187,1184 7.005,1185 3.541,1186 18.424,1187 5.146,1188 9.249,1189 1.488,1190 1.547,1191 1.508,1192 1.472,1193 1.473,1194 1.823,1195 0.3,1196 4.122,1197 1.454,1198 4.024,1199 4.057,1200 3.968,1201 3.933,1202 7.444,1203 3.935,1204 3.94,1205 3.978,1206 3.86,1207 3.862,1208 7.411,1209 3.856,1210 3.821,1211 3.868,1212 3.706,1213 3.72,1214 4.759,1215 3.709,1216 3.569,1217 3.624,1218 3.484,1219 3.379,1220 4.7,1221 3.397,1222 3.342,1223 3.403,1224 3.206,1225 3.173,1226 4.324,1227 3.171,1228 3.167,1229 3.217,1230 3.082,1231 2.994,1232 3.996,1233 2.998,1234 3.111,1235 3.206,1236 2.895,1237 2.941,1238 3.785,1239 2.91,1240 3.055,1241 3.1,1242 2.866,1243 2.898,1244 3.687,1245 2.895,1246 0.149,1247 0.131,1248 0.225,1249 0.139,1250 0.106,1251 4.463,1252 0.133,1253 3.94,1254 0.067,1255 6.746,1256 0.364,1257 4.175,1258 0.105,1259 3.187,1260 4.005,1261 2.024,1262 10.914,1263 3.146,1264 1.968,1265 1.945,1266 2.105,1267 2.089,1268 1.483,1269 2.094,1270 1.931,1271 1.895,1272 2.057,1273 2.047,1274 1.228,1275 2.052,1276 1.834,1277 1.784,1278 2.009,1279 1.947,1280 1.158,1281 1.97,1282 1.517,1283 1.461,1284 1.734,1285 1.729,1286 0.995,1287 1.733,1288 1.32,1289 1.262,1290 1.55,1291 1.526,1292 0.825,1293 1.537,1294 1.153,1295 1.083,1296 1.513,1297 1.376,1298 0.716,1299 1.429,1300 1.145,1301 1.064,1302 1.434,1303 1.354,1304 0.661,1305 1.381,1306 1.022,1307 0.985,1308 1.228,1309 1.236,1310 0.414,1311 1.231,1312 4.111,1314 5.416,1316 6.929,1318 8.535,1320 10.19,1328 7.271,1332 0.592,1333 3.97,1340 32.794,1341 73.326,1342 163.524,1343 216.911,1344 246.951,1345 264.825,1346 267.58,1347 49.463,1348 7.563,1349 40.62,1350 40.62,1351 24,1352 12.426,1353 3.907,1354 3.17,1355 40.559,1356 119,1357 113,1358 0.166,1359 199.983,1360 353.68,1361 479.718,1362 22060,1364 18.64,1365 0.69,1366 0.579,1367 18.64,1368 15.641,1369 13.204,1370 0.44,1371 0.33,1372 9.809,1373 12.875,1374 9.598,1375 7.913,1376 13.204,1377 9.894,1378 11.648,1379 0.284,1380 0.187,1381 11.648,1382 7.678,1383 9.99,1384 0.185,1385 0.108,1386 9.99,1387 5.853,1388 8.335,1389 0.121,1390 0.061,1391 8.335,1392 4.213,1393 6.728,1394 0.077,1395 0.036,1396 6.728,1397 3.14,1398 0.268,1399 81.526,1400 0.22,1401 26.471,1402 0.433,1403 142,1404 354.761,1405 151.258,1406 345.695,1407 470.07,1408 324,1409 166,1410 337.907,1411 175.981,1412 344.432,1413 504.05,1414 325,1415 7.638}
{0 CHEMBL141167,1 1.417,2 11.846,3 4.023,4 16.184,5 103.812,6 6.689,7 0.429,8 4.028,9 4.161,10 3.502,11 3.578,12 5.034,13 3.527,14 4.605,15 4.805,16 3.824,17 3.968,18 5.567,19 3.886,20 4.918,21 5.16,22 3.846,23 4.133,24 5.805,25 4.009,26 5.002,27 5.273,28 3.773,29 4.131,30 5.835,31 3.969,32 5.003,33 5.288,34 3.748,35 4.099,36 5.837,37 3.944,38 4.936,39 5.203,40 3.743,41 4.069,42 5.942,43 3.918,44 4.884,45 5.149,46 3.524,47 3.991,48 5.77,49 3.813,50 4.785,51 5.085,52 3.362,53 3.804,54 5.587,55 3.609,56 0.029,57 0.805,58 12,59 5.259,60 6.2,61 7.213,62 0.191,63 1.323,64 22.478,65 8.49,66 22.317,67 12.121,68 0.297,69 1.671,70 31.704,71 11.486,72 41.281,73 16.3,74 0.33,75 1.696,76 34.552,77 12.796,78 44.164,79 18.496,80 0.333,81 1.644,82 34.976,83 12.516,84 50.552,85 18.022,86 0.46,87 1.606,88 32.812,89 12.241,90 80.115,91 17.063,92 0.321,93 1.506,94 31.141,95 11.877,96 60.062,97 16.253,98 0.308,99 1.289,100 28.272,101 10.205,102 45.177,103 14.714,104 11,105 37,106 0.238,107 0.513,108 0.699,109 0.803,110 0.839,111 0.839,112 3.303,113 1.009,114 -5.37,115 -5.26,116 -4.91,121 41.5,122 1,123 3,124 1,127 4,144 9,145 1,146 2,160 1,176 11,179 1,180 8,187 12,192 5,200 4,206 9,214 7,219 3,227 10,231 1,232 3,239 16,251 9,255 1,256 4,264 5,269 3,277 1,281 1016,282 17.568,283 17.568,284 17.568,285 17.568,286 17.568,287 15.883,288 20.901,289 10.656,290 17.811,291 13.844,292 13.844,293 13.844,294 13.844,295 13.844,296 11.45,297 26.733,298 5.099,299 14.259,300 4.311,301 2.672,302 1.567,303 0.948,304 0.731,305 0.731,306 3.987,310 1,311 1,312 1,313 654,314 3.391,318 296.412,325 1.959,326 23.048,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 55.5,338 308,339 4.227,340 3.708,341 6.414,342 3.931,343 2.978,344 3.741,345 1.94,346 9.799,347 2.833,348 3.941,349 3.018,350 5.616,351 3.685,352 2.722,353 3.457,354 0.916,355 7.787,356 2.628,357 3.731,358 2.962,359 5.332,360 3.466,361 2.471,362 3.018,363 0.555,364 6.951,365 2.461,366 3.593,367 2.595,368 5.202,369 3.32,370 2.359,371 2.631,372 0.172,373 6.388,374 2.256,375 3.173,376 2.511,377 4.952,378 3.024,379 2.069,380 2.342,382 5.858,383 1.965,384 3.154,385 2.219,386 4.621,387 2.725,388 1.738,389 2.238,391 4.623,392 1.689,393 2.825,394 1.573,395 3.665,396 2.421,397 1.425,398 1.927,400 3.05,401 1.418,402 2.675,403 1.505,404 3.584,405 2.216,406 1.225,407 1.744,409 2.74,410 1.206,411 2.5,412 1.157,413 3.469,414 2.046,415 1.058,416 1.5,418 2.474,419 1.042,420 2.266,421 1.077,422 3.414,423 2,424 1,425 1.203,427 2.275,428 1,429 2,430 1,431 3.247,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.479,439 0.621,440 2.996,441 1.316,442 0.332,443 0.364,445 0.83,446 0.325,447 1.148,448 0.337,449 2.739,450 0.95,451 -0.028,452 -0.032,454 -0.072,455 -0.028,456 0.919,457 0.194,458 2.263,459 0.503,460 -0.406,461 -0.508,463 -0.907,464 -0.35,465 0.683,466 0.136,467 2,468 0.426,469 -0.547,470 -0.614,472 -1.259,473 -0.535,474 12.419,475 0.478,476 0.558,477 0.021,478 30,479 1.154,480 14,481 0.538,482 16,483 0.615,484 23.685,485 0.911,486 28.981,487 0.547,488 20.429,489 0.786,490 5.83,491 0.224,492 6.784,493 0.261,494 0.09,496 0.266,499 1,501 0.584,502 1.242,503 0.863,504 1.177,505 0.498,506 1.082,507 0.73,508 1.094,509 0.974,510 1.072,511 0.491,512 1.05,513 1.042,514 1.023,515 1.106,516 1.045,517 0.89,518 1.07,519 0.684,520 0.94,521 0.963,522 1.063,523 0.657,524 1.056,525 0.876,526 0.826,527 0.912,528 0.884,529 0.857,530 0.896,531 0.862,532 0.903,533 0.984,534 0.986,535 0.865,536 0.999,537 1.195,538 1.05,539 1.167,540 1.116,541 1.37,542 1.142,543 0.782,544 0.914,545 0.916,546 0.951,547 0.88,548 0.959,549 5,550 0.14,551 2.222,552 1.313,553 1.076,554 0.757,555 0.463,556 0.264,557 0.209,558 0.098,559 8738,560 21085,561 2.059,562 50.9,563 1,564 17,568 3,569 6,572 1.686,573 1.95,574 3.509,575 -0.836,577 1,582 75.09,583 1.417,584 3.056,585 4.161,586 4.78,587 4.997,588 4.997,589 2.911,590 4.056,591 4.672,592 3.712,593 1206.26,594 8.069,595 15847.4,597 1,599 1,600 303.58,601 1.3,602 4.642,603 0.179,604 0.009,605 0.06,606 0.036,607 0.034,608 0.024,609 0.015,610 0.011,611 0.01,612 0.006,613 0.384,614 0.5,615 1,616 0.721,617 129.958,618 0.012,619 -0.148,620 0.052,621 -0.056,622 0.001,623 -0.01,624 0.022,625 -0.064,626 -0.024,627 -0.055,628 0.074,629 -0.047,630 -0.111,631 -0.032,632 -0.131,633 -0.066,634 -0.046,635 -0.093,636 0.056,637 -0.069,638 -0.014,639 -0.094,640 0.043,641 -0.071,642 -0.035,643 0.024,644 0.055,645 0.063,646 -0.026,647 0.072,648 0.11,649 0.05,650 -0.006,651 -0.008,652 0.135,653 -0.019,654 -0.116,655 -0.069,656 -0.182,657 -0.12,658 -0.164,659 -0.155,660 0.048,661 -0.079,662 0.048,663 -0.009,664 -0.031,665 0.01,666 1.969,667 5.464,668 0.692,669 25.929,670 0.991,671 1.131,672 4.144,673 17.171,674 0.647,675 3.367,676 3.638,677 3.829,678 4.025,679 4.205,680 4.143,681 4.159,682 4.248,683 4.248,684 4.29,685 7.077,686 0.604,687 354.51,688 3.367,689 4.875,690 5.687,691 6.529,692 7.356,693 8.201,694 9.032,695 9.879,696 10.712,697 11.559,698 3.8,701 1,705 1,715 9,720 3,722 12,740 1,741 53,743 13,744 2,745 28,747 55,748 22,749 12,750 3,751 9,756 3,757 3,763 1,767 2,768 1,770 3,772 13,773 9,774 1,777 1,782 1,786 1,790 1,791 1,793 27,794 4,796 4,802 2,808 1,809 1,829 3,844 1,855 1,859 3,864 1,866 1,868 26,876 7,880 1,881 2,892 1,893 1.9,896 1,901 13.333,902 9.543,903 5.806,904 3.369,907 1.82,908 1.262,909 0.961,910 6.542,911 8.757,912 3.584,913 4.06,914 4.466,915 4.918,916 5.339,917 5.198,918 5.278,919 5.469,920 5.309,921 5.483,922 0.875,923 36,924 9.685,926 4.038,927 0.026,929 7.712,931 18.897,933 15.559,936 2.212,937 57.5,939 1,940 1,941 317.82,942 129.906,943 6.249,945 25.145,946 14.96,948 129.906,949 342.965,950 21.209,951 8.825,952 19.151,953 85.286,954 29.85,955 18.188,956 14.96,957 317.82,959 317.82,960 136.154,961 40.105,964 262.153,965 95.772,968 31.1,969 105.054,972 332.78,973 31.394,974 129.906,977 317.82,978 35.794,979 100.36,981 40.105,982 317.82,983 46.354,984 129.906,986 0.57,987 0.318,988 0.168,989 0.092,990 16,991 7,992 0.109,993 6,995 1,996 3.916,997 202.744,999 18,1000 114.211,1005 18.756,1006 9.069,1007 5.484,1009 46.354,1010 16.875,1015 1.71,1018 494.079,1019 35,1024 11.979,1028 -0.03,1031 52.53,1032 59.943,1034 0.247,1035 0.533,1036 0.726,1037 0.834,1038 0.872,1039 0.872,1040 4.796,1041 1.225,1042 5.638,1043 3.05,1044 4.317,1045 4.745,1046 2.218,1047 6.361,1048 4.258,1049 5.939,1050 1.058,1051 7.141,1052 2.74,1053 3.761,1054 4.27,1055 1.738,1056 7.086,1057 3.633,1058 7.192,1059 1,1060 8.741,1061 2.474,1062 5.826,1063 6.718,1064 3.016,1065 10.13,1066 5.694,1067 8.47,1068 1,1069 10.398,1070 2.275,1071 6.066,1072 6.991,1073 3.151,1074 11.702,1075 5.857,1076 9.778,1077 0.332,1078 12.094,1079 2.136,1080 7.589,1081 8.962,1082 4.143,1083 14.244,1084 7.377,1085 11.105,1086 -0.028,1087 13.818,1088 0.83,1089 8.219,1090 9.61,1091 4.544,1092 16.195,1093 7.929,1094 12.448,1095 -0.406,1096 15.563,1097 -0.072,1098 9.495,1099 11.346,1100 5.384,1101 18.559,1102 9.194,1103 2.978,1104 -0.547,1105 17.324,1106 -0.907,1107 10.331,1108 12.216,1109 5.913,1110 20.687,1111 9.955,1112 2.722,1113 9.799,1114 19.099,1115 -1.259,1116 11.49,1117 13.81,1118 6.67,1119 22.989,1120 11.093,1121 2.471,1122 7.787,1123 20.885,1124 3.741,1125 12.435,1126 14.821,1127 7.263,1128 25.199,1129 11.969,1130 2.359,1131 6.951,1132 22.681,1133 3.457,1134 13.541,1135 16.321,1136 7.976,1137 27.482,1138 13.042,1139 2.069,1140 6.388,1141 24.486,1142 3.018,1143 14.545,1144 17.428,1145 8.603,1146 29.728,1147 13.983,1148 1.738,1149 5.858,1150 26.299,1151 2.631,1152 15.628,1153 18.865,1154 9.292,1155 32.006,1156 15.026,1157 1.425,1158 4.623,1159 28.117,1160 2.342,1161 16.665,1162 20.036,1163 9.936,1164 34.271,1165 16.002,1166 8439,1167 13240,1168 18.781,1169 34.302,1170 41.128,1171 41.446,1172 41.792,1173 40.867,1174 40.757,1175 50.328,1176 7.169,1177 109.824,1178 39.611,1179 5.227,1180 5.708,1181 6.216,1182 4.966,1183 4.978,1184 6.741,1185 3.348,1186 16.32,1187 4.833,1188 11.438,1189 1.469,1190 1.48,1191 1.493,1192 1.46,1193 1.456,1194 1.797,1195 0.256,1196 3.922,1197 1.415,1198 3.986,1199 4.034,1200 3.911,1201 3.886,1202 8.201,1203 3.884,1204 3.914,1205 3.949,1206 3.848,1207 3.831,1208 7.428,1209 3.832,1210 3.814,1211 3.861,1212 3.702,1213 3.713,1214 4.758,1215 3.703,1216 3.574,1217 3.626,1218 3.483,1219 3.368,1220 4.647,1221 3.385,1222 3.359,1223 3.429,1224 3.206,1225 3.169,1226 4.321,1227 3.168,1228 3.117,1229 3.206,1230 2.937,1231 2.958,1232 4.012,1233 2.94,1234 3.111,1235 3.2,1236 2.866,1237 2.941,1238 3.8,1239 2.91,1240 2.905,1241 2.966,1242 2.822,1243 2.735,1244 3.674,1245 2.737,1246 0.151,1247 0.132,1248 0.229,1249 0.14,1250 0.106,1251 4.227,1252 0.134,1253 3.708,1254 0.069,1255 6.414,1256 0.35,1257 3.931,1258 0.101,1259 2.978,1260 3.741,1261 1.94,1262 9.799,1263 2.833,1264 1.937,1265 1.899,1266 2.103,1267 2.075,1268 1.483,1269 2.087,1270 1.897,1271 1.867,1272 2.022,1273 2.01,1274 1.173,1275 2.011,1276 1.824,1277 1.777,1278 1.978,1279 1.939,1280 1.095,1281 1.959,1282 1.517,1283 1.459,1284 1.748,1285 1.74,1286 0.959,1287 1.742,1288 1.342,1289 1.272,1290 1.641,1291 1.572,1292 0.825,1293 1.597,1294 1.153,1295 1.064,1296 1.513,1297 1.376,1298 0.727,1299 1.429,1300 1.134,1301 1.058,1302 1.439,1303 1.347,1304 0.655,1305 1.384,1306 0.886,1307 0.821,1308 1.181,1309 1.096,1310 0.405,1311 1.128,1312 4.043,1314 5.323,1316 6.792,1318 8.342,1320 9.93,1322 1.549,1324 13.464,1328 7.135,1332 0.623,1333 4.195,1340 31.989,1341 75.09,1342 161.953,1343 220.521,1344 253.315,1345 264.825,1346 264.825,1347 50.525,1348 6.936,1349 23.55,1350 23.55,1351 18,1352 12.122,1353 3.807,1354 3,1355 44.608,1356 112,1357 104,1358 0.193,1359 197.913,1360 348.66,1361 474.668,1362 9539,1363 1.9,1364 18.355,1365 0.706,1366 0.592,1367 17.485,1368 15.404,1369 12.614,1370 0.451,1371 0.336,1372 9.319,1373 12.216,1374 9.075,1375 7.529,1376 12.22,1377 9.416,1378 11.144,1379 0.301,1380 0.193,1381 10.51,1382 7.144,1383 8.705,1384 0.193,1385 0.116,1386 8.378,1387 5.217,1388 7.062,1389 0.128,1390 0.067,1391 6.754,1392 3.699,1393 5.542,1394 0.084,1395 0.041,1396 5.353,1397 2.676,1398 0.312,1399 78.278,1400 0.231,1401 25.68,1402 0.507,1403 130,1404 375.137,1405 140.874,1406 340.301,1407 452.25,1408 318,1409 147,1410 318.603,1411 157.067,1412 318.809,1413 458.15,1414 300,1415 7.187}
{0 CHEMBL141203,1 1.311,2 12.423,3 3.594,4 12.915,5 107.393,6 6.664,7 0.414,8 4.021,9 4.149,10 3.512,11 3.614,12 4.982,13 3.559,14 4.598,15 4.787,16 3.84,17 4.032,18 5.483,19 3.945,20 4.92,21 5.156,22 3.89,23 4.203,24 5.744,25 4.069,26 5.01,27 5.283,28 3.731,29 4.133,30 5.818,31 3.963,32 4.909,33 5.2,34 3.599,35 4.007,36 5.666,37 3.84,38 4.753,39 5.015,40 3.522,41 3.962,42 5.506,43 3.793,44 4.745,45 5.012,46 3.43,47 3.911,48 5.515,49 3.725,50 4.624,51 4.908,52 3.289,53 3.749,54 5.384,55 3.564,56 0.047,57 0.719,58 11.788,59 5.091,60 6.828,61 7.112,62 0.201,63 1.244,64 21.961,65 8.493,66 16.072,67 12.208,68 0.192,69 1.604,70 30.791,71 12.276,72 24.524,73 17.538,74 0.266,75 1.663,76 34.564,77 13.163,78 39.412,79 18.84,80 0.291,81 1.501,82 31.595,83 11.467,84 38.161,85 16.619,86 0.223,87 1.314,88 26.39,89 10.439,90 22.938,91 14.886,92 0.179,93 1.254,94 26.204,95 10.747,96 27.846,97 15.142,98 0.241,99 1.115,100 23.533,101 9.077,102 29.672,103 13.03,104 2,105 39,106 0.219,107 0.514,108 0.684,109 0.783,110 0.838,111 0.844,112 3.303,113 0.997,114 -5.14,115 -5.03,116 -4.71,121 44.2,123 3,124 1,127 4,137 1,139 1,144 9,145 3,160 1,176 16,179 1,180 7,187 17,192 8,200 8,206 11,214 5,219 4,227 9,231 1,232 2,239 15,251 13,255 1,256 3,264 8,269 4,277 3,281 984,282 18.068,283 18.068,284 18.068,285 18.068,286 18.068,287 16.368,288 18.363,289 10.91,290 18.265,291 14.338,292 14.338,293 14.338,294 14.338,295 14.338,296 11.795,297 21.427,298 5.221,299 14.631,300 4.389,301 2.629,302 1.614,303 1.022,304 0.692,305 0.654,306 4.009,310 1,311 1,312 1,313 715,314 2.55,318 322.588,322 124.801,325 2.006,326 13.87,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 54,338 323,339 4.428,340 3.72,341 6.626,342 4.098,343 3.108,344 4.015,345 1.2,346 10.497,347 3.076,348 3.941,349 3.018,350 5.678,351 3.69,352 2.727,353 3.457,354 0.916,355 7.797,356 2.635,357 3.665,358 2.608,359 5.611,360 3.485,361 2.492,362 2.874,363 0.293,364 7.478,365 2.476,366 3.567,367 2.56,368 5.324,369 3.309,370 2.342,371 2.629,372 0.172,373 6.898,374 2.258,375 3.221,376 2.352,377 4.954,378 3.018,379 2.061,380 2.363,382 5.859,383 1.963,384 3.15,385 2.154,386 4.715,387 2.752,388 1.756,389 2.234,391 4.88,392 1.739,393 2.867,394 1.524,395 3.691,396 2.443,397 1.446,398 2.002,400 3.09,401 1.44,402 2.814,403 1.5,404 3.594,405 2.408,406 1.414,407 1.907,409 3.037,410 1.405,411 2.5,412 1.312,413 3.512,414 2,415 1,416 1.5,418 2.275,419 1,420 2.474,421 1.077,422 3.414,423 1.984,424 1,425 1.348,427 2.136,428 0.983,429 2.13,430 1,431 3.286,432 1.911,433 0.889,434 1,436 2.127,437 0.903,438 2,439 0.905,440 3.247,441 1.81,442 0.827,443 0.959,445 1.912,446 0.811,447 1.476,448 0.525,449 2.876,450 1.202,451 0.207,452 0.244,454 0.509,455 0.204,456 1.156,457 0.268,458 2.645,459 0.924,460 -0.078,461 -0.094,463 -0.191,464 -0.078,465 0.928,466 -0.252,467 2.341,468 0.555,469 -0.44,470 -0.527,472 -1.06,473 -0.436,474 12.633,475 0.486,476 0.465,477 0.018,478 31.25,479 1.202,480 15,481 0.577,482 16.25,483 0.625,484 22.216,485 0.854,486 27.567,487 0.53,488 20.395,489 0.784,490 6.007,491 0.231,492 6.786,493 0.261,494 0.026,496 0.261,501 0.697,502 1.298,503 0.877,504 1.089,505 0.518,506 1.01,507 0.962,508 1.086,509 1.054,510 1.012,511 0.571,512 1.023,513 0.9,514 1.117,515 1.028,516 1.099,517 0.69,518 1.072,519 1.2,520 1.071,521 1.025,522 1.041,523 1.21,524 1.025,525 1.369,526 0.84,527 0.971,528 0.818,529 1.287,530 0.853,531 0.996,532 0.902,533 1.08,534 1.005,535 0.973,536 1.039,537 1.006,538 1.051,539 1.044,540 1.09,541 1.321,542 1.082,543 1.041,544 0.903,545 0.991,546 0.92,547 1.241,548 0.951,549 4,550 0.107,551 2.444,552 1.188,553 1.28,554 0.451,555 0.341,556 0.313,557 0.131,558 0.082,559 9635,560 19895,561 2.172,562 50,563 1,564 18,565 1,569 6,572 1.682,573 2.108,574 3.584,575 -0.874,577 1,582 68.17,583 1.311,584 3.072,585 4.087,586 4.679,587 5.008,588 5.047,589 3.075,590 3.921,591 4.673,592 3.758,593 1221.19,594 8.051,595 15997.3,597 1,599 1,600 296.423,601 1.058,602 4.663,603 0.138,604 0.007,605 0.063,606 0.03,607 0.041,608 0.016,609 0.013,610 0.014,611 0.007,612 0.005,613 0.333,614 0.5,615 1,616 0.362,617 130.272,618 0.047,619 -0.152,620 0.072,621 -0.033,622 0.028,623 0.01,624 0.019,625 0.043,626 -0.075,627 -0.022,628 0.029,629 -0.048,630 -0.008,631 -0.1,632 -0.055,633 -0.11,634 0.077,635 -0.088,636 -0.029,637 -0.116,638 -0.029,639 -0.08,640 0.018,641 -0.059,642 -0.11,643 0.125,644 0.039,645 0.12,646 -0.077,647 0.097,648 -0.053,649 0.081,650 -0.102,651 -0.03,652 -0.092,653 -0.062,654 -0.034,655 -0.13,656 -0.07,657 -0.097,658 -0.119,659 -0.091,660 0.044,661 0.036,662 0.001,663 0.044,664 -0.081,665 0.02,666 1.524,667 5.611,668 0.846,669 25.988,670 0.983,671 1.119,672 3.905,673 15.251,674 0.665,675 3.401,676 3.689,677 3.951,678 4.174,679 4.407,680 4.357,681 4.443,682 4.554,683 4.644,684 4.615,685 7.228,686 0.617,687 346.51,688 3.401,689 4.92,690 5.759,691 6.613,692 7.465,693 8.323,694 9.179,695 10.041,696 10.899,697 11.762,698 3.8,701 1,705 1,715 9,720 3,722 12,730 1,741 52,743 14,744 2,745 29,747 55,748 23,749 12,750 3,751 9,752 3,756 4,757 5,767 2,768 1,770 3,772 15,773 8,774 1,777 2,782 1,784 2,786 1,790 1,793 26,794 3,796 3,802 2,808 0.75,809 1,829 4,833 1,849 1,855 1,859 3,868 26,876 7,880 1,881 2,893 1.9,896 1,901 12.333,902 9.067,903 5.75,904 3.364,907 2.526,908 1.338,909 0.997,910 5.286,911 10.01,912 3.638,913 4.127,914 4.64,915 5.121,916 5.587,917 5.579,918 5.831,919 6.031,920 6.275,921 6.177,922 1,923 39,924 9.673,926 4.101,927 0.026,929 7.481,931 19.25,933 16.342,936 1.981,937 51.5,939 1,940 1,941 306.049,942 134.098,943 6.249,945 25.145,948 134.098,949 331.194,950 6.249,952 28.198,953 94.762,954 29.85,955 12.681,956 11.771,957 294.278,959 306.049,960 140.346,961 25.145,964 235.422,965 95.772,968 22.275,969 108.595,970 9.476,972 306.049,973 31.394,974 134.098,977 306.049,978 30.288,979 110.059,981 25.145,982 306.049,983 31.394,984 134.098,986 0.572,987 0.334,988 0.18,989 0.099,990 19,991 7,992 0.091,993 5,994 1,995 1.091,996 4.027,997 211.279,998 0.091,999 22,1000 114.211,1005 17.206,1006 7.988,1007 4.142,1009 31.394,1010 18.569,1015 3.254,1018 471.54,1019 37,1024 12.611,1026 4.008,1028 0.143,1031 51.134,1032 58.188,1034 0.23,1035 0.539,1036 0.717,1037 0.821,1038 0.879,1039 0.885,1040 4.86,1041 1.414,1042 5.707,1043 3.09,1044 4.369,1045 4.812,1046 1.683,1047 6.463,1048 4.332,1049 6.005,1050 1,1051 7.226,1052 3.037,1053 3.761,1054 4.27,1055 0.57,1056 7.244,1057 3.695,1058 7.265,1059 1,1060 8.846,1061 2.275,1062 5.905,1063 6.825,1064 1.703,1065 10.339,1066 5.827,1067 8.555,1068 0.889,1069 10.529,1070 2.136,1071 6.155,1072 7.148,1073 0.877,1074 11.99,1075 6.057,1076 9.881,1077 0.827,1078 12.254,1079 2.127,1080 7.714,1081 9.141,1082 1.856,1083 14.59,1084 7.602,1085 11.232,1086 0.207,1087 14.008,1088 1.912,1089 8.385,1090 9.919,1091 1.159,1092 16.618,1093 8.263,1094 12.605,1095 -0.078,1096 15.785,1097 0.509,1098 9.687,1099 11.638,1100 2.065,1101 19.054,1102 9.55,1103 3.108,1104 -0.44,1105 17.58,1106 -0.191,1107 10.577,1108 12.672,1109 1.472,1110 21.255,1111 10.434,1112 2.727,1113 10.497,1114 19.388,1115 -1.06,1116 11.764,1117 14.242,1118 2.309,1119 23.635,1120 11.608,1121 2.492,1122 7.797,1123 21.208,1124 4.015,1125 12.767,1126 15.423,1127 1.815,1128 25.916,1129 12.606,1130 2.342,1131 7.478,1132 23.039,1133 3.457,1134 13.907,1135 16.91,1136 2.579,1137 28.276,1138 13.735,1139 2.061,1140 6.898,1141 24.878,1142 2.874,1143 14.968,1144 18.177,1145 2.18,1146 30.594,1147 14.79,1148 1.756,1149 5.859,1150 26.725,1151 2.629,1152 16.091,1153 19.618,1154 2.868,1155 32.948,1156 15.904,1157 1.446,1158 4.88,1159 28.578,1160 2.363,1161 17.182,1162 20.934,1163 2.556,1164 35.283,1165 16.988,1166 8912,1167 12915,1168 20.167,1169 34.603,1170 43.293,1171 43.755,1172 43.128,1173 42.579,1174 42.538,1175 53.066,1176 5.163,1177 116.99,1178 41.787,1179 5.428,1180 5.72,1181 6.428,1182 5.135,1183 5.108,1184 7.015,1185 2.293,1186 17.692,1187 5.076,1188 6.398,1189 1.493,1190 1.509,1191 1.487,1192 1.468,1193 1.467,1194 1.83,1195 0.178,1196 4.034,1197 1.441,1198 4.021,1199 4.056,1200 3.965,1201 3.939,1202 7.428,1203 3.94,1204 3.94,1205 3.978,1206 3.86,1207 3.862,1208 4.771,1209 3.857,1210 3.82,1211 3.867,1212 3.705,1213 3.72,1214 4.743,1215 3.709,1216 3.548,1217 3.613,1218 3.444,1219 3.379,1220 4.343,1221 3.386,1222 3.318,1223 3.385,1224 3.181,1225 3.171,1226 4.257,1227 3.163,1228 3.123,1229 3.206,1230 3.032,1231 2.981,1232 3.895,1233 2.98,1234 3.111,1235 3.181,1236 2.892,1237 2.941,1238 3.694,1239 2.91,1240 3.053,1241 3.09,1242 2.866,1243 2.897,1244 3.674,1245 2.894,1246 0.153,1247 0.128,1248 0.228,1249 0.141,1250 0.107,1251 4.428,1252 0.138,1253 3.72,1254 0.041,1255 6.626,1256 0.362,1257 4.098,1258 0.106,1259 3.108,1260 4.015,1261 1.2,1262 10.497,1263 3.076,1264 1.973,1265 1.949,1266 2.106,1267 2.086,1268 1.483,1269 2.094,1270 1.931,1271 1.895,1272 2.056,1273 2.044,1274 1.189,1275 2.05,1276 1.833,1277 1.784,1278 2.007,1279 1.946,1280 1.146,1281 1.969,1282 1.518,1283 1.455,1284 1.74,1285 1.718,1286 0.992,1287 1.73,1288 1.314,1289 1.251,1290 1.543,1291 1.499,1292 0.825,1293 1.518,1294 1.153,1295 1.065,1296 1.513,1297 1.376,1298 0.7,1299 1.429,1300 1.128,1301 1.064,1302 1.42,1303 1.315,1304 0.573,1305 1.355,1306 1.013,1307 0.98,1308 1.209,1309 1.216,1310 0.386,1311 1.206,1312 4.078,1314 5.371,1316 6.872,1318 8.464,1320 10.102,1328 7.755,1332 0.723,1333 4.437,1340 32.079,1341 68.17,1342 159.727,1343 212.509,1344 243.303,1345 260.423,1346 262.423,1347 37.209,1348 7.484,1349 25.24,1350 25.24,1351 24,1352 12.311,1353 3.907,1354 3.17,1355 38.424,1356 115,1357 104,1358 0.162,1359 195.986,1360 344.89,1361 469.967,1362 20235,1364 17.769,1365 0.683,1366 0.584,1367 17.769,1368 15.181,1369 12.793,1370 0.441,1371 0.332,1372 9.567,1373 12.526,1374 9.356,1375 7.744,1376 12.793,1377 9.639,1378 11.109,1379 0.285,1380 0.19,1381 11.109,1382 7.395,1383 9.598,1384 0.188,1385 0.11,1386 9.598,1387 5.621,1388 7.835,1389 0.122,1390 0.063,1391 7.835,1392 4.002,1393 6.491,1394 0.08,1395 0.037,1396 6.491,1397 3.001,1398 0.263,1399 78.522,1400 0.223,1401 25.773,1402 0.42,1403 136,1404 305.026,1405 142.71,1406 303.259,1407 421.11,1408 286,1409 158,1410 309.918,1411 165.821,1412 318.839,1413 464.81,1414 301,1415 5.959}
{0 CHEMBL141276,1 1.365,2 12.423,3 3.567,4 12.722,5 105.723,6 6.595,7 0.414,8 4.046,9 4.182,10 3.525,11 3.6,12 4.991,13 3.55,14 4.634,15 4.832,16 3.86,17 4.025,18 5.524,19 3.939,20 4.953,21 5.192,22 3.888,23 4.201,24 5.735,25 4.064,26 5.063,27 5.349,28 3.719,29 4.139,30 5.812,31 3.963,32 4.957,33 5.259,34 3.638,35 4.02,36 5.69,37 3.854,38 4.794,39 5.056,40 3.576,41 3.967,42 5.588,43 3.809,44 4.802,45 5.078,46 3.452,47 3.912,48 5.568,49 3.73,50 4.676,51 4.974,52 3.303,53 3.749,54 5.422,55 3.565,56 0.053,57 0.775,58 12.385,59 5.019,60 6.821,61 7.195,62 0.293,63 1.311,64 23.229,65 8.493,66 21.532,67 12.518,68 0.215,69 1.657,70 32.089,71 12.086,72 21.989,73 17.718,74 0.319,75 1.71,76 36.678,77 12.86,78 37.092,79 19.145,80 0.31,81 1.514,82 33.144,83 11.399,84 36.908,85 17.077,86 0.259,87 1.333,88 27.745,89 10.333,90 27.486,91 14.94,92 0.235,93 1.295,94 28.049,95 10.489,96 30.742,97 15.198,98 0.316,99 1.138,100 25.024,101 8.847,102 31.745,103 13.083,104 2,105 39,106 0.228,107 0.516,108 0.672,109 0.78,110 0.836,111 0.845,112 3.303,113 1.001,114 -4.6,115 -4.52,116 -4.25,121 41.5,123 3,124 1,127 5,144 9,145 2,146 1,161 1,176 13,179 1,180 5,183 2,185 2,187 13,192 5,197 2,200 5,206 10,211 2,214 3,219 5,224 1,227 7,231 1,232 3,237 2,239 12,251 11,255 1,256 2,259 1,264 8,269 3,277 3,281 992,282 18.016,283 18.016,284 18.016,285 18.016,286 18.016,287 16.383,288 22.87,289 10.905,290 18.263,291 14.365,292 14.365,293 14.365,294 14.365,295 14.365,296 11.986,297 30.779,298 5.257,299 14.752,300 4.363,301 2.643,302 1.711,303 1.068,304 0.731,305 0.679,306 4.009,310 1,311 1,312 1,313 715,314 2.55,318 323.429,322 125.436,325 2.006,326 14.424,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 54.5,338 323,339 4.293,340 3.722,341 6.313,342 3.986,343 3.022,344 3.844,345 1.706,346 9.641,347 2.911,348 3.941,349 3.018,350 5.806,351 3.69,352 2.727,353 3.457,354 0.916,355 7.864,356 2.635,357 3.774,358 2.922,359 5.615,360 3.501,361 2.517,362 2.996,363 0.728,364 7.757,365 2.483,366 3.591,367 2.575,368 5.326,369 3.396,370 2.414,371 2.631,372 0.172,373 6.921,374 2.353,375 3.179,376 2.364,377 4.953,378 3.024,379 2.069,380 2.246,381 0.167,382 5.862,383 1.966,384 2.998,385 2.167,386 4.657,387 2.72,388 1.754,389 2.119,391 4.998,392 1.687,393 2.879,394 1.628,395 3.837,396 2.424,397 1.428,398 2.042,400 3.07,401 1.422,402 2.823,403 1.516,404 3.618,405 2.409,406 1.414,407 1.923,409 3.022,410 1.406,411 2.5,412 1.473,413 3.592,414 2.149,415 1.152,416 1.5,418 2.874,419 1.141,420 2.494,421 1.077,422 3.414,423 2,424 1,425 1.438,427 2.275,428 1,429 2,430 1,431 3.247,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.726,439 0.758,440 3.191,441 1.613,442 0.636,443 0.682,445 1.528,446 0.62,447 1.344,448 0.616,449 2.817,450 1.103,451 0.126,452 0.14,454 0.315,455 0.123,456 1.165,457 0.312,458 2.643,459 0.87,460 -0.138,461 -0.17,463 -0.331,464 -0.138,465 0.824,466 -0.09,467 2.463,468 0.564,469 -0.414,470 -0.483,472 -1.067,473 -0.402,474 12.533,475 0.482,476 0.482,477 0.019,478 30.75,479 1.183,480 14,481 0.538,482 16.75,483 0.644,484 22.839,485 0.878,486 28.267,487 0.533,488 19.675,489 0.757,490 5.86,491 0.225,492 6.916,493 0.266,494 0.027,496 0.263,501 0.786,502 1.389,503 0.897,504 1.133,505 0.535,506 1.038,507 0.833,508 1.079,509 1.05,510 1.027,511 0.511,512 1.043,513 0.923,514 1.209,515 1.076,516 1.17,517 0.765,518 1.139,519 1.158,520 1.036,521 1.043,522 1.015,523 1.108,524 1.017,525 1.147,526 0.807,527 0.895,528 0.795,529 1.033,530 0.813,531 1.146,532 0.936,533 1.081,534 1.028,535 1.249,536 1.047,537 1.158,538 1.023,539 1.06,540 1.055,541 1.464,542 1.059,543 1.067,544 0.765,545 0.981,546 0.833,547 1.221,548 0.891,549 4.5,550 0.107,551 2.222,552 0.938,553 1.4,554 0.472,555 0.381,556 0.313,557 0.131,558 0.082,559 9655,560 20026,561 2.172,562 50.9,563 1,564 19,567 1,569 6,572 1.683,573 2.108,574 3.59,575 -0.408,577 1,582 72.335,583 1.365,584 3.085,585 4.017,586 4.659,587 4.997,588 5.049,589 3.075,590 3.661,591 4.673,592 3.759,593 1221.83,594 8.052,595 16032.5,597 1,599 1,600 303.58,601 1.058,602 4.663,603 0.155,604 0.007,605 0.057,606 0.025,607 0.047,608 0.016,609 0.014,610 0.014,611 0.007,612 0.005,613 0.345,614 0.33,615 1,616 0.362,617 130.322,618 0.018,619 -0.172,620 0.071,621 -0.038,622 0.024,623 0.01,624 0.165,625 0.08,626 -0.06,627 -0.016,628 0.095,629 -0.052,630 -0.04,631 -0.18,632 -0.104,633 -0.167,634 -0.005,635 -0.145,636 -0.07,637 -0.087,638 -0.052,639 -0.067,640 -0.028,641 -0.059,642 -0.053,643 0.126,644 0.101,645 0.139,646 0.011,647 0.138,648 -0.062,649 0.039,650 -0.095,651 -0.047,652 -0.073,653 -0.069,654 -0.079,655 -0.101,656 -0.078,657 -0.076,658 -0.137,659 -0.079,660 0.041,661 0.166,662 0.013,663 0.109,664 -0.079,665 0.064,666 1.62,667 5.292,668 0.846,669 26.32,670 0.986,671 1.126,672 3.366,673 11.331,674 0.653,675 3.401,676 3.689,677 3.932,678 4.159,679 4.419,680 4.369,681 4.443,682 4.564,683 4.644,684 4.605,685 7.236,686 0.606,687 349.52,688 3.401,689 4.92,690 5.753,691 6.605,692 7.452,693 8.308,694 9.16,695 10.017,696 10.872,697 11.731,698 5.7,701 1,705 2,715 9,720 3,722 12,741 53,743 13,744 2,745 29,747 56,748 22,749 12,750 3,751 9,756 4,757 5,761 1,767 2,768 1,770 3,772 13,773 9,774 1,777 1,782 1,786 1,789 1,790 1,793 27,794 4,795 1,796 4,802 3,808 0.75,809 1,829 4,833 1,855 1,859 3,868 26,876 8,877 1,880 1,881 2,893 1.9,896 1,901 12.333,902 9.15,903 5.722,904 3.39,907 2.09,908 1.279,909 0.996,910 5.447,911 9.574,912 3.611,913 4.094,914 4.538,915 4.987,916 5.461,917 5.36,918 5.546,919 5.801,920 5.922,921 5.804,922 1,923 38,924 9.674,926 4.094,927 0.026,929 7.481,931 19.285,933 16.384,936 1.981,937 51.5,939 1,940 1,941 306.049,942 116.822,943 24.259,945 25.145,948 116.822,949 331.194,950 24.259,952 39.267,953 85.286,954 25.145,955 12.252,956 4.276,957 306.049,959 306.049,960 141.081,961 25.145,964 235.422,965 95.772,968 42.391,969 98.69,972 306.049,973 49.404,974 116.822,977 306.049,978 31.536,979 91.535,980 18.011,981 25.145,982 306.049,983 49.404,984 116.822,986 0.572,987 0.328,988 0.176,989 0.101,990 19,991 7,992 0.089,993 5,994 1,995 1.091,996 4.038,997 210.662,998 0.091,999 22,1000 114.211,1005 17.416,1006 8.131,1007 4.411,1009 49.404,1010 18.808,1015 3.572,1017 18.011,1018 472.275,1019 36,1024 12.292,1028 0.046,1031 52.236,1032 59.687,1034 0.238,1035 0.539,1036 0.701,1037 0.813,1038 0.872,1039 0.881,1040 4.836,1041 1.414,1042 5.7,1043 3.07,1044 4.369,1045 4.779,1046 2.139,1047 6.441,1048 4.316,1049 5.973,1050 1.152,1051 7.209,1052 3.022,1053 3.761,1054 4.27,1055 1.404,1056 7.154,1057 3.663,1058 7.228,1059 1,1060 8.813,1061 2.874,1062 5.894,1063 6.758,1064 2.622,1065 10.226,1066 5.777,1067 8.509,1068 1,1069 10.474,1070 2.275,1071 6.111,1072 7.051,1073 2.527,1074 11.764,1075 5.945,1076 9.823,1077 0.636,1078 12.173,1079 2.136,1080 7.673,1081 9.023,1082 3.435,1083 14.318,1084 7.488,1085 11.158,1086 0.126,1087 13.896,1088 1.528,1089 8.299,1090 9.726,1091 3.64,1092 16.218,1093 8.065,1094 12.511,1095 -0.138,1096 15.638,1097 0.315,1098 9.598,1099 11.446,1100 4.389,1101 18.58,1102 9.342,1103 3.022,1104 -0.414,1105 17.393,1106 -0.331,1107 10.44,1108 12.384,1109 4.747,1110 20.656,1111 10.136,1112 2.727,1113 9.641,1114 19.159,1115 -1.067,1116 11.615,1117 13.961,1118 5.404,1119 22.946,1120 11.284,1121 2.517,1122 7.864,1123 20.933,1124 3.844,1125 12.571,1126 15.042,1127 5.841,1128 25.11,1129 12.195,1130 2.414,1131 7.757,1132 22.715,1133 3.457,1134 13.691,1135 16.529,1136 6.445,1137 27.374,1138 13.283,1139 2.069,1140 6.921,1141 24.502,1142 2.996,1143 14.709,1144 17.702,1145 6.926,1146 29.583,1147 14.257,1148 1.754,1149 5.862,1150 26.295,1151 2.631,1152 15.805,1153 19.133,1154 7.499,1155 31.841,1156 15.319,1157 1.428,1158 4.998,1159 28.092,1160 2.246,1161 16.856,1162 20.365,1163 8.004,1164 34.074,1165 16.327,1166 8929,1167 12969,1168 20.167,1169 34.608,1170 42.806,1171 43.577,1172 42.841,1173 42.538,1174 42.518,1175 52.036,1176 7.381,1177 116.52,1178 41.459,1179 5.293,1180 5.722,1181 6.115,1182 5.058,1183 5.022,1184 6.844,1185 2.981,1186 16.349,1187 4.911,1188 6.469,1189 1.476,1190 1.503,1191 1.477,1192 1.467,1193 1.466,1194 1.794,1195 0.255,1196 4.018,1197 1.43,1198 4.008,1199 4.053,1200 3.94,1201 3.905,1202 7.429,1203 3.906,1204 3.935,1205 3.976,1206 3.857,1207 3.855,1208 4.77,1209 3.851,1210 3.82,1211 3.867,1212 3.706,1213 3.72,1214 4.743,1215 3.709,1216 3.561,1217 3.623,1218 3.468,1219 3.36,1220 4.327,1221 3.375,1222 3.32,1223 3.386,1224 3.193,1225 3.125,1226 4.093,1227 3.132,1228 3.111,1229 3.206,1230 2.963,1231 2.941,1232 3.88,1233 2.915,1234 3.106,1235 3.181,1236 2.866,1237 2.924,1238 3.771,1239 2.91,1240 3.026,1241 3.101,1242 2.851,1243 2.868,1244 3.674,1245 2.867,1246 0.148,1247 0.128,1248 0.218,1249 0.137,1250 0.104,1251 4.293,1252 0.133,1253 3.722,1254 0.059,1255 6.313,1256 0.332,1257 3.986,1258 0.1,1259 3.022,1260 3.844,1261 1.706,1262 9.641,1263 2.911,1264 1.95,1265 1.915,1266 2.105,1267 2.088,1268 1.484,1269 2.094,1270 1.927,1271 1.893,1272 2.048,1273 2.046,1274 1.22,1275 2.05,1276 1.833,1277 1.784,1278 2.006,1279 1.947,1280 1.152,1281 1.97,1282 1.513,1283 1.446,1284 1.741,1285 1.73,1286 0.993,1287 1.736,1288 1.278,1289 1.213,1290 1.514,1291 1.509,1292 0.825,1293 1.512,1294 1.153,1295 1.064,1296 1.513,1297 1.376,1298 0.721,1299 1.429,1300 1.092,1301 1.02,1302 1.397,1303 1.324,1304 0.612,1305 1.342,1306 1.018,1307 0.957,1308 1.25,1309 1.247,1310 0.382,1311 1.271,1312 4.078,1314 5.371,1316 6.866,1318 8.449,1320 10.076,1328 8.535,1329 3.011,1332 0.729,1333 4.508,1340 32.101,1341 72.335,1342 163.524,1343 212.911,1344 246.951,1345 264.825,1346 267.58,1347 36.08,1348 7.484,1349 35.58,1350 35.58,1351 24,1352 12.283,1353 3.807,1354 3,1355 38.407,1356 115,1357 104,1358 0.162,1359 196.116,1360 341.23,1361 470.282,1362 20237,1364 17.769,1365 0.683,1366 0.586,1367 17.769,1368 15.233,1369 12.776,1370 0.441,1371 0.334,1372 9.588,1373 12.449,1374 9.382,1375 7.758,1376 12.776,1377 9.679,1378 11.217,1379 0.288,1380 0.192,1381 11.217,1382 7.503,1383 9.455,1384 0.189,1385 0.113,1386 9.455,1387 5.671,1388 7.698,1389 0.122,1390 0.064,1391 7.698,1392 4.046,1393 6.592,1394 0.08,1395 0.038,1396 6.592,1397 3.092,1398 0.263,1399 78.829,1400 0.223,1401 25.783,1402 0.419,1403 136,1404 309.359,1405 144.93,1406 305.57,1407 422.27,1408 288,1409 157,1410 309.819,1411 166.654,1412 317.646,1413 461.99,1414 299,1415 7.886}
{0 CHEMBL141352,1 1.366,2 11.72,3 2.667,4 7.112,5 101.439,6 6.491,7 0.444,8 4.008,9 4.145,10 3.464,11 3.548,12 4.981,13 3.493,14 4.581,15 4.79,16 3.76,17 3.935,18 5.47,19 3.847,20 4.88,21 5.126,22 3.774,23 4.108,24 5.676,25 3.972,26 4.973,27 5.248,28 3.695,29 4.119,30 5.727,31 3.943,32 4.988,33 5.277,34 3.677,35 4.085,36 5.765,37 3.913,38 4.909,39 5.189,40 3.621,41 4.039,42 5.719,43 3.866,44 4.83,45 5.107,46 3.457,47 3.951,48 5.604,49 3.761,50 4.729,51 5.03,52 3.256,53 3.762,54 5.476,55 3.553,56 0.047,57 0.749,58 12.13,59 4.916,60 7.678,61 7.101,62 0.215,63 1.225,64 22.265,65 7.85,66 20.03,67 11.826,68 0.26,69 1.515,70 30.191,71 10.778,72 27.328,73 16.02,74 0.259,75 1.57,76 33.014,77 12.497,78 30.158,79 18.31,80 0.288,81 1.543,82 33.769,83 12.195,84 40.903,85 18.04,86 0.337,87 1.449,88 31.195,89 11.476,90 39.929,91 16.836,92 0.227,93 1.323,94 28.633,95 10.818,96 32.15,97 15.781,98 0.269,99 1.162,100 26.082,101 9.353,102 33.635,103 13.973,104 6,105 35,106 0.23,107 0.524,108 0.712,109 0.783,110 0.81,111 0.81,112 3.266,113 1.018,114 -3.97,115 -3.92,116 -3.72,121 40.4,122 1,123 3,124 1,127 4,144 7,145 1,146 1,147 2,160 1,176 9,179 1,180 10,187 10,192 4,200 3,205 1,206 8,214 7,219 2,227 8,231 2,232 4,239 13,244 1,251 6,255 1,256 6,264 3,269 2,277 1,281 923,282 17.121,283 17.121,284 17.121,285 17.121,286 17.121,287 15.46,288 19.274,289 10.533,290 17.374,291 13.361,292 13.361,293 13.361,294 13.361,295 13.361,296 11.039,297 24.784,298 5.043,299 13.756,300 4.334,301 2.591,302 1.48,303 1.058,304 0.899,305 0.899,306 3.952,310 1,311 1,312 1,313 625,314 3.317,318 283.743,325 1.936,326 14.462,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 52.5,338 293,339 4.181,340 3.706,341 6.402,342 3.909,343 2.956,344 3.611,345 1.94,346 9.737,347 2.812,348 3.941,349 3.018,350 5.616,351 3.683,352 2.721,353 3.457,354 0.916,355 7.787,356 2.626,357 3.606,358 2.72,359 5.329,360 3.461,361 2.463,362 2.822,363 0.555,364 6.943,365 2.458,366 3.518,367 2.553,368 4.961,369 3.091,370 2.109,371 2.629,372 0.172,373 5.871,374 2.074,375 3.172,376 2.233,377 4.919,378 3.018,379 2.05,380 2.238,382 5.387,383 1.964,384 2.885,385 1.803,386 3.767,387 2.428,388 1.44,389 2.005,391 3.116,392 1.423,393 2.822,394 1.517,395 3.594,396 2.387,397 1.414,398 1.923,400 3.038,401 1.363,402 2.5,403 1.221,404 3.471,405 2.037,406 1.065,407 1.5,409 2.496,410 1.03,411 2.5,412 1.077,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.261,421 1,422 3.247,423 1.984,424 1,425 1.198,427 2.136,428 0.983,429 2,430 1,431 3.247,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.479,439 0.618,440 2.952,441 1.311,442 0.331,443 0.364,445 0.817,446 0.323,447 1.146,448 0.337,449 2.706,450 0.947,451 -0.028,452 -0.032,454 -0.071,455 -0.028,456 0.704,457 0.137,458 2.189,459 0.449,460 -0.535,461 -0.603,463 -1.212,464 -0.525,465 0.57,466 -0.382,467 2,468 0.145,469 -0.829,470 -1,472 -1.853,473 -0.803,474 12.033,475 0.481,476 0.452,477 0.018,478 29.75,479 1.19,480 14,481 0.56,482 15.75,483 0.63,484 22.014,485 0.881,486 27.567,487 0.53,488 19.071,489 0.763,490 5.708,491 0.228,492 6.512,493 0.26,494 0.069,496 0.233,501 0.721,502 1.48,503 0.915,504 1.217,505 0.534,506 1.103,507 0.979,508 1.176,509 1.049,510 1.053,511 0.561,512 1.044,513 1.203,514 1.056,515 1.129,516 1.049,517 0.985,518 1.072,519 0.825,520 1.041,521 1.013,522 1.093,523 0.796,524 1.077,525 1.055,526 0.909,527 0.934,528 0.919,529 1.116,530 0.918,531 0.95,532 0.875,533 1.006,534 0.967,535 1.068,536 0.99,537 1.017,538 1.03,539 1.074,540 1.092,541 1.26,542 1.096,543 0.903,544 1.006,545 0.984,546 1.002,547 1.12,548 1.009,549 4,550 0.112,551 2,552 1.125,553 0.884,554 0.59,555 0.463,556 0.201,557 0.159,558 0.088,559 7973,560 17710,561 2.085,562 51.9,563 1,564 15,566 2,568 3,569 6,572 1.675,573 2,574 3.49,575 -0.83,576 1,577 1,582 71.047,583 1.366,584 3.109,585 4.221,586 4.642,587 4.801,588 4.801,589 2.893,590 4.084,591 4.616,592 3.68,593 1103.92,594 7.953,595 14108.2,597 1,599 1,600 296.423,601 1.164,602 4.597,603 0.148,604 0.008,605 0.057,606 0.033,607 0.029,608 0.02,609 0.017,610 0.009,611 0.009,612 0.006,613 0.336,614 0.5,615 1,616 0.663,617 123.395,618 0.044,619 -0.246,620 0.065,621 -0.087,622 0.037,623 -0.024,624 0.019,625 -0.022,626 -0.048,627 -0.037,628 0.069,629 -0.045,630 -0.151,631 -0.011,632 -0.137,633 -0.059,634 -0.068,635 -0.089,636 0.024,637 -0.084,638 -0.048,639 -0.101,640 0.038,641 -0.085,642 -0.037,643 0.018,644 0.045,645 0.046,646 -0.022,647 0.053,648 0.05,649 0.078,650 -0.027,651 0.007,652 -0.006,653 -0.013,654 -0.072,655 -0.097,656 -0.106,657 -0.103,658 -0.131,659 -0.108,660 0.063,661 -0.107,662 -0.012,663 -0.049,664 -0.066,665 -0.044,666 1.562,667 4.97,668 0.72,669 24.643,670 0.985,671 1.129,672 2.741,673 7.515,674 0.646,675 3.332,676 3.584,677 3.784,678 3.97,679 4.143,680 4.043,681 4.111,682 4.174,683 4.205,684 4.234,685 6.928,686 0.598,687 337.51,688 3.332,689 4.828,690 5.638,691 6.472,692 7.296,693 8.134,694 8.963,695 9.802,696 10.632,697 11.472,698 5.8,701 1,705 1,708 1,715 9,716 1,720 2,722 12,741 52,743 13,744 1,745 27,747 54,748 21,749 11,750 1,751 5,756 3,757 3,763 1,767 2,768 1,770 3,772 12,773 9,774 1,777 1,782 1,786 1,789 1,790 1,793 27,794 4,796 4,802 3,808 1,809 1,822 1,829 3,844 1,855 1,859 3,864 1,868 25,876 7,880 1,881 2,893 1.9,896 1,901 12.5,902 9.35,903 5.639,904 3.3,907 1.785,908 1.261,909 0.957,910 6.325,911 8.625,912 3.555,913 4.007,914 4.413,915 4.85,916 5.266,917 5.022,918 5.213,919 5.359,920 5.26,921 5.421,922 0.875,923 34,924 9.271,926 3.791,927 0.026,929 7.533,931 18.346,933 15.007,936 2.033,937 50.833,940 1,941 317.82,942 119.927,943 23.034,945 25.145,948 119.927,949 342.965,950 23.034,951 8.825,952 19.151,953 66.334,954 70.177,955 27.161,957 294.278,959 317.82,960 142.961,961 25.145,964 247.193,965 95.772,968 49.195,969 76.981,970 16.786,972 317.82,973 48.179,974 119.927,977 317.82,978 26.673,979 99.502,981 41.93,982 317.82,983 48.179,984 119.927,986 0.564,987 0.318,988 0.17,989 0.092,990 15,991 6,992 0.111,993 6,995 1,996 3.87,997 190.86,999 18,1000 104.096,1005 17.786,1006 8.891,1007 5.222,1009 48.179,1010 17.986,1011 4.036,1015 2.338,1018 485.926,1019 34,1024 11.97,1028 0.104,1031 51.236,1032 58.687,1034 0.24,1035 0.545,1036 0.74,1037 0.814,1038 0.842,1039 0.842,1040 4.754,1041 1.065,1042 5.572,1043 3.038,1044 4.263,1045 4.691,1046 2.218,1047 6.282,1048 4.206,1049 5.879,1050 1,1051 7.064,1052 2.496,1053 3.611,1054 4.06,1055 1.738,1056 6.991,1057 3.515,1058 7.118,1059 1,1060 8.656,1061 2.275,1062 5.753,1063 6.627,1064 3.016,1065 10.047,1066 5.626,1067 8.383,1068 1,1069 10.312,1070 2.136,1071 5.943,1072 6.765,1073 3.151,1074 11.638,1075 5.765,1076 9.679,1077 0.331,1078 12.009,1079 2.136,1080 7.508,1081 8.834,1082 4.143,1083 14.172,1084 7.303,1085 10.997,1086 -0.028,1087 13.737,1088 0.817,1089 8.112,1090 9.359,1091 4.544,1092 16.138,1093 7.847,1094 12.331,1095 -0.535,1096 15.486,1097 -0.071,1098 9.41,1099 11.176,1100 5.384,1101 18.494,1102 9.117,1103 2.956,1104 -0.829,1105 17.253,1106 -1.212,1107 10.231,1108 11.932,1109 5.913,1110 20.627,1111 9.876,1112 2.721,1113 9.737,1114 19.033,1115 -1.853,1116 11.401,1117 13.59,1118 6.67,1119 22.921,1120 11.012,1121 2.463,1122 7.787,1123 20.824,1124 3.611,1125 12.338,1126 14.497,1127 7.263,1128 25.13,1129 11.886,1130 2.109,1131 6.943,1132 22.625,1133 3.457,1134 13.447,1135 16.046,1136 7.976,1137 27.405,1138 12.956,1139 2.05,1140 5.871,1141 24.434,1142 2.822,1143 14.445,1144 17.059,1145 8.603,1146 29.648,1147 13.894,1148 1.44,1149 5.387,1150 26.249,1151 2.629,1152 15.527,1153 18.529,1154 9.292,1155 31.919,1156 14.933,1157 1.414,1158 3.116,1159 28.07,1160 2.238,1161 16.558,1162 19.617,1163 9.936,1164 34.178,1165 15.905,1166 7667,1167 11522,1168 18.375,1169 33.608,1170 39.508,1171 39.674,1172 39.846,1173 39.117,1174 39.1,1175 48.494,1176 7.169,1177 103.476,1178 38.074,1179 5.181,1180 5.706,1181 6.204,1182 4.944,1183 4.956,1184 6.611,1185 3.348,1186 16.173,1187 4.812,1188 9.027,1189 1.463,1190 1.469,1191 1.476,1192 1.449,1193 1.448,1194 1.796,1195 0.266,1196 3.832,1197 1.41,1198 3.978,1199 4.029,1200 3.892,1201 3.878,1202 7.428,1203 3.874,1204 3.894,1205 3.935,1206 3.831,1207 3.785,1208 4.901,1209 3.791,1210 3.806,1211 3.856,1212 3.695,1213 3.696,1214 4.755,1215 3.69,1216 3.553,1217 3.611,1218 3.456,1219 3.343,1220 4.327,1221 3.359,1222 3.359,1223 3.429,1224 3.206,1225 3.168,1226 4.074,1227 3.168,1228 3.112,1229 3.206,1230 2.925,1231 2.954,1232 3.819,1233 2.935,1234 3.111,1235 3.196,1236 2.866,1237 2.941,1238 3.684,1239 2.91,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.155,1247 0.137,1248 0.237,1249 0.145,1250 0.109,1251 4.181,1252 0.134,1253 3.706,1254 0.072,1255 6.402,1256 0.361,1257 3.909,1258 0.104,1259 2.956,1260 3.611,1261 1.94,1262 9.737,1263 2.812,1264 1.936,1265 1.897,1266 2.102,1267 2.074,1268 1.483,1269 2.086,1270 1.868,1271 1.826,1272 2.018,1273 2.001,1274 1.17,1275 2.002,1276 1.804,1277 1.757,1278 1.942,1279 1.935,1280 1.062,1281 1.95,1282 1.497,1283 1.436,1284 1.732,1285 1.728,1286 0.899,1287 1.729,1288 1.341,1289 1.272,1290 1.641,1291 1.572,1292 0.825,1293 1.597,1294 1.153,1295 1.064,1296 1.513,1297 1.376,1298 0.713,1299 1.429,1300 1.13,1301 1.054,1302 1.437,1303 1.345,1304 0.654,1305 1.382,1306 0.886,1307 0.821,1308 1.181,1309 1.073,1310 0.396,1311 1.107,1312 4.007,1314 5.273,1316 6.735,1318 8.277,1320 9.856,1322 1.642,1328 7.64,1332 0.704,1333 4.412,1340 31.101,1341 71.047,1342 161.674,1343 219.487,1344 241.403,1345 249.668,1346 249.668,1347 38.723,1348 6.841,1349 36.44,1350 36.44,1351 18,1352 12.039,1353 3.807,1354 3,1355 42.038,1356 105,1357 96,1358 0.194,1359 193.917,1360 336.29,1361 464.917,1362 8446,1364 17.485,1365 0.699,1366 0.599,1367 17.485,1368 14.973,1369 12.22,1370 0.453,1371 0.339,1372 9.077,1373 11.862,1374 8.828,1375 7.343,1376 12.22,1377 9.166,1378 10.51,1379 0.3,1380 0.196,1381 10.51,1382 6.87,1383 8.378,1384 0.195,1385 0.118,1386 8.378,1387 5.072,1388 6.754,1389 0.13,1390 0.069,1391 6.754,1392 3.579,1393 5.353,1394 0.086,1395 0.042,1396 5.353,1397 2.583,1398 0.312,1399 75.549,1400 0.233,1401 24.881,1402 0.507,1403 124,1404 300.671,1405 132.431,1406 295.252,1407 402.24,1408 278,1409 140,1410 289.383,1411 148.489,1412 295.507,1413 422.71,1414 278,1415 6.967}
{0 CHEMBL141515,1 1.298,2 10.864,3 2.952,4 8.717,5 91.314,6 6.01,7 0.25,8 3.964,9 4.107,10 3.356,11 3.492,12 4.808,13 3.422,14 4.593,15 4.811,16 3.661,17 3.919,18 5.355,19 3.805,20 4.931,21 5.199,22 3.661,23 4.088,24 5.628,25 3.918,26 4.983,27 5.282,28 3.458,29 4.012,30 5.658,31 3.799,32 4.859,33 5.176,34 3.384,35 3.89,36 5.479,37 3.688,38 4.71,39 4.995,40 3.379,41 3.86,42 5.367,43 3.673,44 4.724,45 5.01,46 3.251,47 3.81,48 5.414,49 3.597,50 4.634,51 4.959,52 2.983,53 3.588,54 5.279,55 3.349,56 0.056,57 0.712,58 12.479,59 5.004,60 5.874,61 7.349,62 0.22,63 1.201,64 23.162,65 8.259,66 14.341,67 12.606,68 0.243,69 1.495,70 31.445,71 11.431,72 21.633,73 17.178,74 0.284,75 1.447,76 32.581,77 11.674,78 30.338,79 17.49,80 0.252,81 1.277,82 28.519,83 10.115,84 25.345,85 15.35,86 0.204,87 1.169,88 24.804,89 9.569,90 16.998,91 14.058,92 0.181,93 1.127,94 24.969,95 9.719,96 22.12,97 14.142,98 0.255,99 0.973,100 22.654,101 7.961,102 24.855,103 12.06,104 2,105 31,106 0.223,107 0.466,108 0.668,109 0.785,110 0.827,111 0.827,112 3.145,113 1.106,114 -4.31,115 -4.24,116 -4.01,121 38,123 6,124 1,127 5,144 5,145 1,160 1,176 11,179 1,180 7,187 10,192 6,200 3,206 7,214 4,219 2,227 8,231 1,232 2,239 12,251 8,255 1,256 3,264 3,269 3,277 1,281 632,282 15.206,283 15.206,284 15.206,285 15.206,286 15.206,287 14.325,288 18.905,289 9.355,290 15.4,291 11.877,292 11.877,293 11.877,294 11.877,295 11.877,296 10.57,297 21.241,298 4.499,299 12.169,300 4.346,301 2.937,302 1.767,303 1.085,304 0.84,305 0.84,306 3.834,310 1,311 1,312 1,313 516,314 2.345,318 234.685,325 1.979,326 12.527,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 46,338 239,339 3.96,340 3.719,341 6.024,342 3.774,343 2.81,344 3.457,345 1.94,346 8.562,347 2.707,348 3.938,349 3.018,350 5.615,351 3.675,352 2.713,353 3.112,354 0.916,355 7.784,356 2.618,357 3.597,358 2.574,359 5.327,360 3.457,361 2.458,362 2.632,363 0.555,364 6.932,365 2.454,366 3.176,367 2.351,368 4.953,369 3.03,370 2.075,371 2.241,372 0.172,373 5.863,374 1.971,375 2.832,376 2.151,377 4.202,378 2.521,379 1.538,380 1.932,382 3.89,383 1.503,384 2.683,385 1.572,386 3.607,387 2.427,388 1.414,389 1.645,391 3.043,392 1.425,393 2.5,394 1.513,395 3.591,396 2.407,397 1.414,398 1.5,400 2.983,401 1.402,402 2.474,403 1.077,404 3.414,405 2,406 1,407 1.468,409 2.275,410 1,411 2,412 1,413 3.247,414 1.984,415 1,416 1,418 2.136,419 0.983,420 1.749,421 0.917,422 3.203,423 1.712,424 0.729,425 0.738,427 1.682,428 0.715,429 1.296,430 0.654,431 2.799,432 1.122,433 0.138,434 0.15,436 0.336,437 0.135,438 1.089,439 0.292,440 2.338,441 0.837,442 -0.187,443 -0.215,445 -0.425,446 -0.189,447 0.668,448 -0.242,449 2,450 0.453,451 -0.55,452 -0.62,454 -1.229,455 -0.55,456 0.5,457 -0.568,458 2,459 0.175,460 -0.813,461 -0.852,463 -1.911,464 -0.797,465 0.31,466 -0.784,467 1.727,469 -1,470 -1,472 -2.347,473 -0.946,474 10.633,475 0.483,476 0.362,477 0.016,478 21.25,479 0.966,480 7.5,481 0.341,482 13.75,483 0.625,484 21.685,485 0.986,486 25.367,487 0.507,488 11.772,489 0.535,490 3.676,491 0.167,492 7.133,493 0.324,494 0.031,496 0.216,501 0.716,502 1.513,503 1.002,504 1.28,505 0.498,506 1.18,507 0.978,508 1.199,509 1.139,510 1.12,511 0.548,512 1.126,513 1.069,514 1.106,515 1.104,516 1.101,517 0.898,518 1.099,519 1.212,520 1.019,521 1.059,522 1.016,523 1.299,524 1.028,525 1.048,526 0.808,527 0.89,528 0.795,529 0.978,530 0.822,531 0.792,532 0.908,533 1.006,534 1.003,535 0.724,536 1.016,537 0.972,538 1.103,539 1.05,540 1.134,541 1.263,542 1.114,543 1.01,544 0.877,545 0.948,546 0.881,547 1.146,548 0.909,549 3.5,550 0.074,551 1.778,552 0.688,553 0.796,554 0.361,555 0.242,556 0.207,557 0.114,558 0.056,559 5866,560 10964,561 2.125,562 56,563 3,564 15,568 2,569 8,572 1.636,573 2.063,574 3.409,575 -0.851,576 1,577 1,582 64.876,583 1.298,584 2.706,585 3.877,586 4.559,587 4.804,588 4.804,589 2.897,590 3.971,591 4.431,592 3.584,593 827.811,594 7.566,595 9631.59,597 1,599 1,600 282.193,601 1.023,602 4.423,603 0.146,604 0.007,605 0.057,606 0.024,607 0.036,608 0.016,609 0.011,610 0.011,611 0.009,612 0.005,613 0.323,614 0.5,615 1,616 0.405,617 104.097,618 0.055,619 -0.208,620 0.072,621 -0.062,622 0.043,623 -0.007,624 0.023,625 -0.008,626 -0.087,627 -0.06,628 0.03,629 -0.078,630 -0.075,631 -0.072,632 -0.106,633 -0.103,634 -0.028,635 -0.104,636 -0.087,637 -0.085,638 -0.082,639 -0.069,640 -0.08,641 -0.076,642 -0.057,643 0.116,644 0.073,645 0.13,646 -0.052,647 0.115,648 0.006,649 0.088,650 -0.038,651 -0.006,652 -0.021,653 -0.021,654 -0.028,655 -0.169,656 -0.09,657 -0.136,658 -0.076,659 -0.123,660 0.057,661 0.008,662 0.008,663 0.025,664 -0.032,665 0.011,666 1.284,667 4.84,668 0.818,669 20.727,670 0.98,671 1.132,672 3.079,673 9.48,674 0.627,675 3.219,676 3.466,677 3.664,678 3.829,679 4.025,680 3.892,681 3.951,682 4.06,683 4.127,684 4.143,685 6.494,686 0.572,687 300.49,688 3.219,689 4.71,690 5.517,691 6.344,692 7.163,693 7.992,694 8.815,695 9.645,696 10.47,697 11.3,698 4,701 1,705 1,715 5,720 1,722 6,741 50,743 7,744 1,745 24,747 52,748 19,749 6,750 1,751 5,756 3,757 3,767 5,768 1,770 6,772 7,773 12,774 1,777 1,782 1,786 1,789 1,790 1,793 28,794 3,796 3,802 2,808 1,809 1,829 3,844 1,855 1,859 3,868 22,876 11,880 1,881 2,893 2,896 1,901 10.667,902 8.567,903 4.944,904 3.453,907 1.055,908 1.157,909 0.957,910 5.634,911 7.763,912 3.367,913 3.75,914 4.09,915 4.414,916 4.774,917 4.509,918 4.634,919 4.845,920 4.946,921 5.049,922 1,923 29,924 8.23,926 3.419,927 0.026,929 7.417,931 16.724,933 14.209,936 1.917,937 42.167,938 0.002,940 1,941 329.591,942 81.007,943 6.249,945 25.145,948 81.007,949 354.736,950 6.249,952 28.86,953 47.381,954 29.85,955 6.31,957 329.591,959 329.591,960 87.256,961 25.145,964 235.422,965 119.314,968 31.984,969 55.271,972 329.591,973 31.394,974 81.007,977 329.591,978 33.626,979 53.63,981 25.145,982 329.591,983 31.394,984 81.007,986 0.564,987 0.318,988 0.164,989 0.089,990 14,991 5,992 0.096,993 5,995 1,996 3.662,997 158.961,999 18,1000 90.107,1005 15.704,1006 7.893,1007 4.655,1009 31.394,1010 10.759,1015 1.417,1018 441.992,1019 28,1024 11.84,1028 0.382,1031 49.018,1032 56.604,1034 0.23,1035 0.48,1036 0.687,1037 0.808,1038 0.851,1039 0.851,1040 4.58,1041 1,1042 5.442,1043 2.983,1044 4.143,1045 4.431,1046 2.218,1047 6.129,1048 4.096,1049 5.667,1050 1,1051 6.919,1052 2.275,1053 3.434,1054 3.795,1055 1.738,1056 6.742,1057 3.34,1058 6.89,1059 0.729,1060 8.49,1061 2.136,1062 5.617,1063 6.249,1064 3.016,1065 9.778,1066 5.509,1067 8.134,1068 0.138,1069 10.119,1070 1.682,1071 5.74,1072 6.402,1073 3.151,1074 11.224,1075 5.581,1076 9.413,1077 -0.187,1078 11.785,1079 0.336,1080 7.335,1081 8.353,1082 4.143,1083 13.711,1084 7.162,1085 10.711,1086 -0.55,1087 13.476,1088 -0.425,1089 7.871,1090 8.879,1091 4.544,1092 15.509,1093 7.648,1094 12.025,1095 -0.813,1096 15.185,1097 -1.229,1098 9.182,1099 10.605,1100 5.384,1101 17.784,1102 8.942,1103 2.81,1104 -1,1105 16.907,1106 -1.911,1107 9.937,1108 11.332,1109 5.913,1110 19.747,1111 9.649,1112 2.713,1113 8.562,1114 18.639,1115 -2.347,1116 11.103,1117 12.932,1118 6.67,1119 21.933,1120 10.792,1121 2.458,1122 7.784,1123 20.378,1124 3.457,1125 11.976,1126 13.785,1127 7.263,1128 23.977,1129 11.62,1130 2.075,1131 6.932,1132 22.123,1133 3.112,1134 13.068,1135 15.301,1136 7.976,1137 26.127,1138 12.684,1139 1.538,1140 5.863,1141 23.873,1142 2.632,1143 14.006,1144 16.242,1145 8.603,1146 28.212,1147 13.578,1148 1.414,1149 3.89,1150 25.627,1151 2.241,1152 15.059,1153 17.697,1154 9.292,1155 30.348,1156 14.601,1157 1.414,1158 3.043,1159 27.385,1160 1.932,1161 16.033,1162 18.704,1163 9.936,1164 32.455,1165 15.532,1166 5592,1167 7700,1168 16.583,1169 31.364,1170 34.743,1171 35.519,1172 35.133,1173 34.583,1174 34.577,1175 39.75,1176 7.169,1177 90.97,1178 33.825,1179 4.96,1180 5.719,1181 5.826,1182 4.81,1183 4.81,1184 6.457,1185 3.348,1186 14.513,1187 4.707,1188 5.954,1189 1.448,1190 1.48,1191 1.464,1192 1.441,1193 1.441,1194 1.656,1195 0.299,1196 3.79,1197 1.409,1198 3.973,1199 4.025,1200 3.878,1201 3.875,1202 7.427,1203 3.87,1204 3.871,1205 3.918,1206 3.775,1207 3.751,1208 4.756,1209 3.747,1210 3.787,1211 3.842,1212 3.667,1213 3.645,1214 4.34,1215 3.642,1216 3.422,1217 3.502,1218 3.257,1219 3.245,1220 4.195,1221 3.238,1222 3.161,1223 3.241,1224 3.012,1225 2.992,1226 3.89,1227 2.98,1228 3.138,1229 3.206,1230 2.964,1231 2.941,1232 3.683,1233 2.935,1234 3.111,1235 3.197,1236 2.866,1237 2.937,1238 3.674,1239 2.91,1240 2.917,1241 2.999,1242 2.722,1243 2.735,1244 3.474,1245 2.715,1246 0.165,1247 0.155,1248 0.251,1249 0.157,1250 0.117,1251 3.96,1252 0.144,1253 3.719,1254 0.081,1255 6.024,1256 0.357,1257 3.774,1258 0.113,1259 2.81,1260 3.457,1261 1.94,1262 8.562,1263 2.707,1264 1.935,1265 1.897,1266 2.105,1267 2.076,1268 1.487,1269 2.089,1270 1.859,1271 1.809,1272 2.032,1273 2.007,1274 1.342,1275 2.016,1276 1.779,1277 1.723,1278 1.989,1279 1.933,1280 1.16,1281 1.955,1282 1.42,1283 1.342,1284 1.697,1285 1.634,1286 0.992,1287 1.662,1288 1.162,1289 1.086,1290 1.513,1291 1.381,1292 0.825,1293 1.429,1294 1.153,1295 1.064,1296 1.465,1297 1.376,1298 0.741,1299 1.413,1300 1.118,1301 1.054,1302 1.432,1303 1.358,1304 0.673,1305 1.381,1306 0.897,1307 0.821,1308 1.207,1309 1.163,1310 0.434,1311 1.184,1312 3.892,1314 5.153,1316 6.613,1318 8.154,1320 9.729,1328 12.297,1332 0.807,1333 4.664,1340 28.606,1341 64.876,1342 135.322,1343 193.854,1344 227.928,1345 240.193,1346 240.193,1347 33.476,1348 6.708,1349 23.55,1350 23.55,1351 18,1352 11.873,1353 3,1354 2.322,1355 34.812,1356 87,1357 72,1358 0.195,1359 176.72,1360 309.51,1361 422.957,1362 7331,1364 15.2,1365 0.691,1366 0.616,1367 15.2,1368 13.545,1369 10.81,1370 0.45,1371 0.369,1372 8.777,1373 10.538,1374 8.595,1375 7.1,1376 10.81,1377 8.851,1378 9.226,1379 0.298,1380 0.22,1381 9.226,1382 6.832,1383 7.593,1384 0.2,1385 0.136,1386 7.593,1387 5.185,1388 5.922,1389 0.132,1390 0.082,1391 5.922,1392 3.711,1393 4.803,1394 0.087,1395 0.052,1396 4.803,1397 2.833,1398 0.316,1399 66.623,1400 0.246,1401 22.388,1402 0.508,1403 110,1404 235.026,1405 116.71,1406 228.85,1407 310.91,1408 216,1409 124,1410 220.566,1411 131.322,1412 224.458,1413 323.97,1414 212,1415 6.569}
{0 CHEMBL141622,1 1.449,2 15.229,3 4.308,4 18.561,5 136.029,6 7.306,7 0.462,8 4.245,9 4.361,10 3.802,11 3.834,12 5.313,13 3.802,14 4.804,15 4.971,16 4.163,17 4.251,18 5.84,19 4.191,20 5.116,21 5.329,22 4.245,23 4.398,24 6.117,25 4.311,26 5.214,27 5.456,28 4.189,29 4.343,30 6.312,31 4.242,32 5.134,33 5.379,34 4.111,35 4.277,36 6.178,37 4.187,38 5.042,39 5.253,40 4.124,41 4.298,42 6.17,43 4.208,44 5.076,45 5.295,46 4.076,47 4.298,48 6.179,49 4.189,50 5.007,51 5.235,52 3.955,53 4.179,54 6.07,55 4.07,56 0.023,57 0.894,58 12.935,59 5.977,60 7.205,61 7.851,62 0.274,63 1.523,64 24.748,65 10.099,66 22.655,67 13.758,68 0.198,69 1.951,70 36.26,71 14.33,72 38.421,73 19.623,74 0.553,75 2.068,76 42.751,77 15.192,78 103.42,79 20.958,80 0.532,81 1.893,82 40.006,83 13.687,84 86.481,85 18.639,86 0.504,87 1.752,88 34.65,89 13.17,90 85.617,91 17.56,92 0.41,93 1.765,94 36.162,95 14.189,96 95.192,97 18.979,98 0.479,99 1.656,100 34.461,101 12.551,102 79.072,103 16.885,104 10,105 54,106 0.229,107 0.508,108 0.65,109 0.776,110 0.84,111 0.845,112 3.588,113 0.94,114 -5.31,115 -5.19,116 -4.86,121 45.3,123 3,124 1,127 4,144 13,145 4,146 1,160 3,176 19,179 2,180 9,183 1,185 3,187 19,192 10,197 4,200 8,205 1,206 16,209 2,211 3,214 6,219 8,222 1,224 1,227 14,231 3,232 7,237 1,239 23,243 1,244 5,249 1,251 18,255 2,256 10,261 2,264 12,269 8,277 5,281 2474,282 24.051,283 24.051,284 24.051,285 24.051,286 24.051,287 21.571,288 25.921,289 14.343,290 24.251,291 19.256,292 19.256,293 19.256,294 19.256,295 19.256,296 15.472,297 32.521,298 6.837,299 19.529,300 4.551,301 2.79,302 1.891,303 1.092,304 0.688,305 0.656,306 4.297,312 1,313 1175,314 3.464,317 81.332,318 471.64,321 157.542,325 2.433,326 38.32,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 74.5,338 533,339 4.659,340 3.967,341 7.087,342 4.352,343 3.363,344 4.273,345 1.349,346 12.182,347 3.321,348 4.153,349 3.57,350 6.109,351 3.813,352 2.812,353 3.673,354 1.058,355 8.823,356 2.81,357 3.941,358 3.263,359 5.935,360 3.69,361 2.726,362 3.457,363 0.916,364 8.137,365 2.635,366 3.784,367 3.018,368 5.617,369 3.494,370 2.506,371 3.105,372 0.8,373 7.784,374 2.48,375 3.6,376 2.718,377 5.561,378 3.404,379 2.421,380 2.717,381 0.172,382 6.972,383 2.371,384 3.466,385 2.561,386 5.325,387 3.112,388 2.116,389 2.627,391 6.704,392 2.11,393 3.261,394 2.253,395 4.955,396 3.013,397 2.041,398 2.508,400 5.858,401 1.962,402 3.171,403 2.182,404 4.872,405 2.805,406 1.798,407 2.244,409 5.003,410 1.8,411 2.911,412 1.901,413 4.178,414 2.535,415 1.54,416 2.015,418 3.794,419 1.525,420 2.819,421 1.769,422 3.736,423 2.414,424 1.419,425 1.91,427 3.045,428 1.411,429 2.728,430 1.514,431 3.599,432 2.259,433 1.254,434 1.786,436 2.846,437 1.256,438 2.532,439 1.336,440 3.492,441 2.007,442 1,443 1.5,445 2.386,446 1,447 2.5,448 1.323,449 3.448,450 2,451 1,452 1.5,454 2.275,455 1,456 2.5,457 1.077,458 3.414,459 2,460 1,461 1.457,463 2.136,464 0.999,465 2.129,466 1,467 3.247,468 1.984,469 0.982,470 1,472 2.136,473 0.983,474 16.7,475 0.477,476 0.747,477 0.021,478 45.25,479 1.293,480 23,481 0.657,482 22.25,483 0.636,484 30.714,485 0.878,486 36.7,487 0.573,488 36.277,489 1.036,490 8.841,491 0.253,492 8.256,493 0.236,494 0.06,496 0.317,501 0.625,502 1.247,503 0.783,504 1.036,505 0.494,506 0.943,507 0.63,508 1.106,509 0.929,510 1.021,511 0.513,512 1.007,513 0.836,514 1.178,515 0.938,516 1.12,517 0.737,518 1.05,519 1.06,520 1.059,521 0.966,522 1.005,523 1.009,524 0.977,525 1.38,526 0.831,527 0.985,528 0.803,529 1.334,530 0.828,531 1.106,532 0.896,533 1.043,534 0.974,535 1.158,536 0.994,537 1.067,538 1.042,539 1.026,540 1.066,541 1.186,542 1.052,543 1.289,544 1,545 1.103,546 0.991,547 1.401,548 1.023,549 5.5,550 0.215,551 3.556,552 2.924,553 1.703,554 1.073,555 0.846,556 0.642,557 0.319,558 0.19,559 20824,560 49500,561 2.141,562 45.3,563 1,564 21,567 1,569 6,572 1.764,573 2.039,574 3.839,575 -0.43,582 92.727,583 1.449,584 3.21,585 4.109,586 4.908,587 5.313,588 5.344,589 3.329,590 4.729,591 5.095,592 4.038,593 2402.81,594 8.93,595 38863.7,600 384,601 1.271,602 5.076,603 0.141,604 0.008,605 0.066,606 0.052,607 0.034,608 0.022,609 0.017,610 0.014,611 0.008,612 0.006,613 0.368,614 0.17,615 0.75,616 0.45,617 192.246,618 -0.011,619 -0.112,620 0.054,621 -0.013,622 -0.006,623 0.02,624 0.119,625 0.009,626 -0.031,627 -0.036,628 0.049,629 -0.052,630 0.006,631 -0.164,632 0.016,633 -0.132,634 0.045,635 -0.067,636 0.09,637 -0.075,638 0.056,639 -0.047,640 0.122,641 -0.009,642 -0.105,643 0.158,644 0.054,645 0.147,646 -0.067,647 0.13,648 0.04,649 0.103,650 -0.055,651 0.007,652 0.027,653 -0.027,654 0.017,655 -0.094,656 -0.038,657 -0.065,658 0.015,659 -0.061,660 -0.06,661 -0.028,662 -0.088,663 -0.02,664 -0.113,665 -0.056,666 1.99,667 6.22,668 0.771,669 47.337,670 0.996,671 1.118,672 4.079,673 16.635,674 0.676,675 3.689,676 4.007,677 4.304,678 4.575,679 4.796,680 4.82,681 4.963,682 5.106,683 5.204,684 5.278,685 8.62,686 0.642,687 467.61,688 3.689,689 5.231,690 6.089,691 6.967,692 7.842,693 8.729,694 9.613,695 10.506,696 11.398,697 12.296,698 4.7,701 1,705 2,715 13,720 5,722 18,729 1,741 64,743 21,744 3,745 39,747 68,748 29,749 18,750 5,751 13,752 3,756 5,757 6,767 2,768 1,770 3,772 21,773 8,774 1,777 3,782 3,786 3,793 29,794 6,795 1,796 6,802 3,805 1,808 0.8,809 3,828 1,829 4,832 1,855 1,859 4,868 35,876 7,877 1,880 1,881 2,893 4.7,896 3,901 17.167,902 11.317,903 7.694,904 4.049,907 3.053,908 1.364,909 1.003,910 6.965,911 11.448,912 3.951,913 4.483,914 5.026,915 5.544,916 6.01,917 6.056,918 6.375,919 6.607,920 6.873,921 7.052,922 1,923 56,924 13.093,926 5.742,927 0.026,929 7.748,931 25.151,933 21.303,936 2.248,937 78.667,941 329.591,942 168.831,943 24.259,945 75.435,948 168.831,949 405.026,950 24.259,952 37.161,953 123.191,954 89.549,955 18.623,957 329.591,959 329.591,960 193.09,961 75.435,964 258.964,965 146.061,968 40.286,969 152.804,972 329.591,973 99.694,974 168.831,977 329.591,978 45.639,979 129.44,980 18.011,981 75.435,982 329.591,983 99.694,984 168.831,986 0.578,987 0.344,988 0.189,989 0.103,990 26,991 11,992 0.103,993 7,994 1,995 1.074,996 4.702,997 329.917,998 0.074,999 27,1000 167.525,1005 23.32,1006 10.453,1007 5.156,1009 99.694,1010 24.37,1015 2.855,1017 18.011,1018 598.116,1019 51,1024 38.88,1028 -0.905,1031 63.774,1032 71.521,1034 0.241,1035 0.535,1036 0.685,1037 0.818,1038 0.885,1039 0.891,1040 5.19,1041 1.798,1042 6.061,1043 5.858,1044 4.691,1045 5.17,1046 2.256,1047 6.874,1048 4.666,1049 6.364,1050 1.54,1051 7.618,1052 5.003,1053 4.205,1054 4.808,1055 0.57,1056 7.786,1057 4.168,1058 7.651,1059 1.419,1060 9.28,1061 3.794,1062 6.279,1063 7.248,1064 2.404,1065 10.932,1066 6.221,1067 8.972,1068 1.254,1069 11.007,1070 3.045,1071 6.661,1072 7.739,1073 1.104,1074 12.753,1075 6.595,1076 10.33,1077 1,1078 12.777,1079 2.846,1080 8.176,1081 9.643,1082 2.675,1083 15.434,1084 8.091,1085 11.715,1086 1,1087 14.579,1088 2.386,1089 8.976,1090 10.563,1091 1.71,1092 17.651,1093 8.885,1094 13.123,1095 1,1096 16.406,1097 2.275,1098 10.271,1099 12.229,1100 3.034,1101 20.195,1102 10.163,1103 3.363,1104 0.982,1105 18.252,1106 2.136,1107 11.277,1108 13.382,1109 2.357,1110 22.58,1111 11.162,1112 2.812,1113 12.182,1114 20.114,1115 2.136,1116 12.492,1117 14.931,1118 3.46,1119 25.087,1120 12.363,1121 2.726,1122 8.823,1123 21.991,1124 4.273,1125 13.598,1126 16.212,1127 3.014,1128 27.541,1129 13.46,1130 2.506,1131 8.137,1132 23.879,1133 3.673,1134 14.79,1135 17.704,1136 3.934,1137 30.039,1138 14.639,1139 2.421,1140 7.784,1141 25.778,1142 3.457,1143 15.945,1144 19.058,1145 3.667,1146 32.52,1147 15.783,1148 2.116,1149 6.972,1150 27.686,1151 3.105,1152 17.135,1153 20.523,1154 4.444,1155 35.018,1156 16.961,1157 2.041,1158 6.704,1159 29.602,1160 2.717,1161 18.314,1162 21.917,1163 4.311,1164 37.509,1165 18.128,1166 19268,1167 29944,1168 26.641,1169 43.279,1170 58.724,1171 61.255,1172 59.38,1173 58.067,1174 58.063,1175 73.965,1176 8.592,1177 165.259,1178 57.427,1179 5.659,1180 5.967,1181 6.888,1182 5.387,1183 5.363,1184 7.273,1185 2.549,1186 19.71,1187 5.321,1188 13.406,1189 1.506,1190 1.571,1191 1.523,1192 1.489,1193 1.489,1194 1.897,1195 0.22,1196 4.237,1197 1.472,1198 4.058,1199 4.085,1200 4.022,1201 3.958,1202 7.447,1203 3.969,1204 3.944,1205 3.985,1206 3.863,1207 3.863,1208 7.429,1209 3.858,1210 3.897,1211 3.923,1212 3.838,1213 3.831,1214 7.408,1215 3.828,1216 3.819,1217 3.865,1218 3.704,1219 3.718,1220 4.766,1221 3.707,1222 3.536,1223 3.597,1224 3.451,1225 3.34,1226 4.732,1227 3.357,1228 3.338,1229 3.386,1230 3.253,1231 3.135,1232 4.669,1233 3.154,1234 3.27,1235 3.315,1236 3.164,1237 3.083,1238 4.323,1239 3.101,1240 3.111,1241 3.206,1242 2.952,1243 2.941,1244 3.99,1245 2.91,1246 0.119,1247 0.102,1248 0.182,1249 0.112,1250 0.086,1251 4.659,1252 0.11,1253 3.967,1254 0.035,1255 7.087,1256 0.312,1257 4.352,1258 0.085,1259 3.363,1260 4.273,1261 1.349,1262 12.182,1263 3.321,1264 1.934,1265 1.905,1266 2.1,1267 2.068,1268 1.482,1269 2.082,1270 1.926,1271 1.896,1272 2.027,1273 2.023,1274 1.165,1275 2.022,1276 1.864,1277 1.843,1278 2.013,1279 1.956,1280 1.117,1281 1.977,1282 1.84,1283 1.79,1284 1.961,1285 1.937,1286 1.061,1287 1.948,1288 1.521,1289 1.463,1290 1.737,1291 1.768,1292 1.012,1293 1.754,1294 1.262,1295 1.215,1296 1.513,1297 1.499,1298 0.825,1299 1.484,1300 1.184,1301 1.143,1302 1.466,1303 1.438,1304 0.691,1305 1.429,1306 1.153,1307 1.064,1308 1.358,1309 1.376,1310 0.443,1311 1.413,1312 4.369,1314 5.687,1315 2.398,1316 7.204,1317 4.949,1318 8.808,1319 7.209,1320 10.458,1328 6.346,1329 2.816,1332 0.489,1333 3.814,1340 41.057,1341 92.727,1342 205.411,1343 262.959,1344 314.084,1345 340,1346 342,1347 75.208,1348 8.396,1349 71.41,1350 71.41,1351 29,1352 12.821,1353 4.459,1354 3.7,1355 52.473,1356 178,1357 197,1358 0.139,1359 249.224,1360 443.45,1361 599.867,1362 63013,1364 24.2,1365 0.691,1366 0.561,1367 24.2,1368 19.652,1369 17.097,1370 0.438,1371 0.313,1372 12.102,1373 16.646,1374 11.866,1375 9.799,1376 17.097,1377 12.218,1378 15.129,1379 0.28,1380 0.172,1381 15.129,1382 9.304,1383 13.179,1384 0.181,1385 0.096,1386 13.179,1387 7,1388 11.117,1389 0.116,1390 0.052,1391 11.117,1392 5.011,1393 8.985,1394 0.075,1395 0.03,1396 8.985,1397 3.63,1398 0.225,1399 105.874,1400 0.194,1401 32.82,1402 0.365,1403 186,1404 500.83,1405 199.526,1406 488.127,1407 664.89,1408 456,1409 220,1410 482.796,1411 234.638,1412 491.727,1413 723.92,1414 464,1415 6.469}
{0 CHEMBL141801,1 1.355,2 13,3 3.801,4 14.448,5 110.059,6 6.431,7 0.414,8 4.098,9 4.228,10 3.541,11 3.625,12 5.069,13 3.572,14 4.674,15 4.876,16 3.842,17 4.009,18 5.562,19 3.925,20 4.949,21 5.184,22 3.882,23 4.188,24 5.771,25 4.062,26 5.061,27 5.325,28 3.791,29 4.213,30 5.832,31 4.042,32 5.086,33 5.376,34 3.749,35 4.18,36 5.849,37 4,38 4.988,39 5.266,40 3.712,41 4.119,42 5.749,43 3.95,44 4.916,45 5.174,46 3.649,47 4.047,48 5.766,49 3.881,50 4.877,51 5.156,52 3.45,53 3.927,54 5.671,55 3.736,56 0.05,57 0.785,58 13.476,59 5.61,60 8.608,61 7.874,62 0.255,63 1.286,64 24.724,65 8.894,66 23.328,67 12.967,68 0.286,69 1.608,70 32.522,71 11.811,72 30.567,73 17.223,74 0.272,75 1.713,76 36.063,77 13.592,78 34.355,79 19.846,80 0.362,81 1.699,82 37.138,83 13.621,84 44.998,85 20.093,86 0.29,87 1.555,88 33.584,89 12.719,90 32.795,91 18.41,92 0.37,93 1.427,94 31.501,95 11.846,96 43.412,97 16.927,98 0.35,99 1.331,100 30.398,101 10.966,102 41.845,103 15.882,104 14,105 38,106 0.224,107 0.504,108 0.708,109 0.792,110 0.816,111 0.816,112 3.339,113 1.018,114 -4.67,115 -4.59,116 -4.32,121 40.4,122 1,123 3,124 1,126 1,127 4,144 9,145 1,146 2,160 1,176 11,179 1,180 10,187 11,192 8,200 5,206 8,214 7,218 1,219 4,227 12,231 1,232 2,239 15,243 1,244 2,251 10,255 1,256 5,264 3,269 6,277 1,281 1169,282 18.438,283 18.438,284 18.438,285 18.438,286 18.438,287 16.806,288 23.587,289 11.118,290 18.797,291 14.255,292 14.255,293 14.255,294 14.255,295 14.255,296 11.867,297 29.435,298 5.219,299 14.74,300 4.478,301 2.786,302 1.554,303 1.049,304 0.904,305 0.904,306 4.024,311 1,312 1,313 744,314 3.536,318 312.65,325 1.926,326 16.097,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 57,338 351,339 4.214,340 3.706,341 6.405,342 3.923,343 2.969,344 3.722,345 1.94,346 9.748,347 2.828,348 3.941,349 3.018,350 5.616,351 3.685,352 2.722,353 3.457,354 0.916,355 7.787,356 2.628,357 3.795,358 2.88,359 5.347,360 3.471,361 2.486,362 3.104,363 0.86,364 6.961,365 2.462,366 3.596,367 2.623,368 5.319,369 3.399,370 2.435,371 2.633,372 0.555,373 6.839,374 2.33,375 3.263,376 2.537,377 4.954,378 3.025,379 2.072,380 2.464,381 0.172,382 5.865,383 1.966,384 3.172,385 2.224,386 4.829,387 2.85,388 1.854,389 2.238,391 5.078,392 1.828,393 2.825,394 1.596,395 3.675,396 2.421,397 1.425,398 1.926,400 3.051,401 1.418,402 2.5,403 1.507,404 3.584,405 2.127,406 1.141,407 1.5,409 2.687,410 1.117,411 2.5,412 1.077,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.331,421 1.053,422 3.414,423 2,424 1,425 1.267,427 2.275,428 1,429 2,430 1,431 3.247,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.705,439 1,440 3.053,441 1.487,442 0.58,443 0.633,445 1.098,446 0.517,447 1.431,448 0.63,449 2.799,450 1.237,451 0.294,452 0.321,454 0.588,455 0.277,456 1.139,457 0.338,458 2.598,459 0.942,460 -0.027,461 -0.03,463 -0.064,464 -0.026,465 0.745,466 0.172,467 2.178,468 0.473,469 -0.497,470 -0.565,472 -1.069,473 -0.477,474 12.967,475 0.48,476 0.52,477 0.019,478 31.25,479 1.157,480 14.5,481 0.537,482 16.75,483 0.62,484 24.886,485 0.922,486 30.233,487 0.53,488 21.327,489 0.79,490 6.111,491 0.226,492 7.041,493 0.261,494 0.103,496 0.254,501 0.767,502 1.448,503 0.927,504 1.24,505 0.576,506 1.119,507 1.114,508 1.119,509 1.035,510 1.005,511 0.614,512 1.001,513 1.142,514 1.095,515 1.125,516 1.061,517 0.992,518 1.078,519 0.838,520 1.127,521 1.054,522 1.116,523 0.842,524 1.107,525 0.778,526 0.906,527 0.922,528 0.916,529 1.064,530 0.928,531 0.81,532 0.911,533 0.947,534 0.974,535 1.058,536 0.972,537 0.998,538 1.062,539 1.067,540 1.094,541 1.267,542 1.093,543 1.162,544 1.015,545 1.08,546 1.021,547 1.273,548 1.046,549 5,550 0.12,551 2.444,552 1.188,553 1.116,554 0.764,555 0.585,556 0.288,557 0.209,558 0.128,559 9783,560 21632,561 2.057,562 52.6,563 1,564 20,568 3,569 6,572 1.696,573 1.952,574 3.623,575 -0.843,577 1,582 77.226,583 1.355,584 3.047,585 4.279,586 4.784,587 4.929,588 4.929,589 3.12,590 3.958,591 4.724,592 3.806,593 1335.99,594 8.175,595 18131.2,597 1,599 1,600 332.475,601 1.277,602 4.698,603 0.172,604 0.007,605 0.064,606 0.031,607 0.034,608 0.024,609 0.019,610 0.01,611 0.009,612 0.007,613 0.378,614 0.33,615 1,616 0.806,617 137.174,618 0.036,619 -0.216,620 0.066,621 -0.091,622 0.021,623 -0.024,624 -0.021,625 0.026,626 -0.018,627 0.019,628 0.064,629 0.004,630 -0.129,631 -0.023,632 -0.128,633 -0.061,634 -0.053,635 -0.087,636 -0.038,637 -0.133,638 -0.09,639 -0.125,640 0.006,641 -0.115,642 0.034,643 0.052,644 0.042,645 0.043,646 -0.019,647 0.044,648 0.014,649 0.058,650 0.017,651 0.005,652 -0.047,653 0.012,654 0.069,655 -0.1,656 -0.082,657 -0.102,658 -0.007,659 -0.107,660 -0.035,661 -0.085,662 -0.09,663 -0.064,664 -0.082,665 -0.085,666 1.568,667 5.113,668 0.667,669 29.122,670 0.986,671 1.127,672 3.443,673 11.854,674 0.642,675 3.401,676 3.664,677 3.871,678 4.043,679 4.234,680 4.205,681 4.29,682 4.29,683 4.29,684 4.344,685 7.422,686 0.594,687 366.55,688 3.401,689 4.905,690 5.72,691 6.558,692 7.387,693 8.229,694 9.063,695 9.906,696 10.742,697 11.586,698 3.5,701 1,705 1,715 9,720 3,722 12,739 1,741 57,743 13,744 2,745 29,747 59,748 23,749 12,750 3,751 9,756 3,757 3,763 1,767 2,768 1,770 3,772 13,773 10,774 1,777 1,782 1,786 1,790 1,793 30,794 4,796 4,802 2,808 1,809 2,829 3,844 1,855 1,859 3,864 2,868 27,876 7,878 1,880 1,881 2,893 3.5,896 1,898 1,901 13.833,902 10.567,903 6.139,904 3.542,907 1.832,908 1.261,909 0.948,910 7.167,911 8.857,912 3.611,913 4.078,914 4.5,915 4.934,916 5.381,917 5.285,918 5.478,919 5.506,920 5.36,921 5.533,922 0.889,923 38,924 10.015,926 4.074,927 0.026,929 7.537,931 19.785,933 16.077,936 2.037,937 55,939 1,940 1,941 353.133,942 136.911,943 6.249,945 36.145,948 136.911,949 389.278,950 6.249,951 19.708,952 19.151,953 85.286,954 29.85,955 25.31,957 353.133,959 353.133,960 143.16,961 36.145,964 282.506,965 106.771,968 31.1,969 112.06,972 353.133,973 42.393,974 136.911,977 353.133,978 31.917,979 111.243,981 36.145,982 353.133,983 42.393,984 136.911,986 0.567,987 0.324,988 0.166,989 0.09,990 16,991 7,992 0.119,993 7,995 1,996 4.022,997 212.151,999 18,1000 116.382,1005 19.753,1006 9.796,1007 5.736,1009 42.393,1010 18.429,1015 3.149,1018 532.438,1019 36,1024 12.113,1028 0.099,1031 56.229,1032 64.228,1034 0.232,1035 0.522,1036 0.734,1037 0.82,1038 0.845,1039 0.845,1040 4.82,1041 1.141,1042 5.666,1043 3.051,1044 4.344,1045 4.762,1046 2.368,1047 6.389,1048 4.282,1049 5.957,1050 1,1051 7.171,1052 2.687,1053 3.761,1054 4.27,1055 1.738,1056 7.13,1057 3.649,1058 7.209,1059 1,1060 8.772,1061 2.275,1062 5.855,1063 6.735,1064 3.068,1065 10.152,1066 5.72,1067 8.488,1068 1,1069 10.43,1070 2.275,1071 6.089,1072 7.011,1073 3.151,1074 11.733,1075 5.888,1076 9.797,1077 0.58,1078 12.127,1079 2.136,1080 7.617,1081 8.978,1082 4.156,1083 14.251,1084 7.403,1085 11.125,1086 0.294,1087 13.85,1088 1.098,1089 8.241,1090 9.625,1091 4.544,1092 16.2,1093 7.956,1094 12.469,1095 -0.027,1096 15.593,1097 0.588,1098 9.517,1099 11.355,1100 5.387,1101 18.546,1102 9.216,1103 2.969,1104 -0.497,1105 17.352,1106 -0.064,1107 10.346,1108 12.218,1109 5.913,1110 20.668,1111 9.975,1112 2.722,1113 9.748,1114 19.123,1115 -1.069,1116 11.502,1117 13.807,1118 6.671,1119 22.957,1120 11.108,1121 2.486,1122 7.787,1123 20.906,1124 3.722,1125 12.441,1126 14.808,1127 7.263,1128 25.159,1129 11.981,1130 2.435,1131 6.961,1132 22.698,1133 3.457,1134 13.542,1135 16.306,1136 7.976,1137 27.432,1138 13.051,1139 2.072,1140 6.839,1141 24.499,1142 3.104,1143 14.54,1144 17.401,1145 8.603,1146 29.672,1147 13.987,1148 1.854,1149 5.865,1150 26.307,1151 2.633,1152 15.618,1153 18.835,1154 9.292,1155 31.942,1156 15.027,1157 1.425,1158 5.078,1159 28.122,1160 2.464,1161 16.649,1162 19.995,1163 9.936,1164 34.199,1165 15.999,1166 9477,1167 14188,1168 19.474,1169 36.58,1170 42.271,1171 42.771,1172 43.176,1173 41.934,1174 41.956,1175 51.532,1176 8.889,1177 112.774,1178 40.707,1179 5.214,1180 5.706,1181 6.207,1182 4.958,1183 4.969,1184 6.722,1185 3.348,1186 16.198,1187 4.828,1188 11.909,1189 1.458,1190 1.475,1191 1.489,1192 1.446,1193 1.447,1194 1.777,1195 0.307,1196 3.889,1197 1.404,1198 3.988,1199 4.034,1200 3.909,1201 3.887,1202 7.428,1203 3.885,1204 3.914,1205 3.946,1206 3.846,1207 3.832,1208 4.869,1209 3.832,1210 3.815,1211 3.861,1212 3.702,1213 3.713,1214 4.755,1215 3.703,1216 3.582,1217 3.631,1218 3.491,1219 3.372,1220 4.399,1221 3.39,1222 3.359,1223 3.43,1224 3.206,1225 3.169,1226 4.312,1227 3.168,1228 3.235,1229 3.303,1230 3.053,1231 2.977,1232 3.974,1233 2.978,1234 3.111,1235 3.206,1236 2.907,1237 2.941,1238 3.787,1239 2.917,1240 3.105,1241 3.189,1242 2.866,1243 2.93,1244 3.674,1245 2.91,1246 0.145,1247 0.128,1248 0.221,1249 0.135,1250 0.102,1251 4.214,1252 0.128,1253 3.706,1254 0.067,1255 6.405,1256 0.336,1257 3.923,1258 0.098,1259 2.969,1260 3.722,1261 1.94,1262 9.748,1263 2.828,1264 1.937,1265 1.899,1266 2.103,1267 2.075,1268 1.483,1269 2.087,1270 1.899,1271 1.871,1272 2.023,1273 2.012,1274 1.174,1275 2.014,1276 1.825,1277 1.778,1278 1.982,1279 1.941,1280 1.102,1281 1.961,1282 1.52,1283 1.465,1284 1.751,1285 1.753,1286 0.966,1287 1.751,1288 1.342,1289 1.272,1290 1.641,1291 1.572,1292 0.825,1293 1.597,1294 1.188,1295 1.114,1296 1.564,1297 1.495,1298 0.729,1299 1.519,1300 1.153,1301 1.064,1302 1.513,1303 1.376,1304 0.655,1305 1.429,1306 1.126,1307 1.048,1308 1.438,1309 1.341,1310 0.572,1311 1.381,1312 4.078,1314 5.352,1316 6.821,1318 8.37,1320 9.956,1322 3.3,1328 7.585,1330 5.209,1332 0.692,1333 4.424,1340 33.848,1341 77.226,1342 173.668,1343 243.906,1344 272.7,1345 280.965,1346 280.965,1347 44.778,1348 7.025,1349 32.78,1350 32.78,1351 18,1352 12.15,1353 3.807,1354 3,1355 47.279,1356 121,1357 114,1358 0.188,1359 210.303,1360 368.68,1361 504.9,1362 10726,1364 19.062,1365 0.706,1366 0.609,1367 19.062,1368 16.434,1369 13.152,1370 0.454,1371 0.339,1372 9.726,1373 12.715,1374 9.418,1375 7.855,1376 13.152,1377 9.839,1378 11.301,1379 0.297,1380 0.194,1381 11.301,1382 7.362,1383 9.197,1384 0.196,1385 0.117,1386 9.197,1387 5.481,1388 7.216,1389 0.129,1390 0.068,1391 7.216,1392 3.817,1393 5.693,1394 0.084,1395 0.04,1396 5.693,1397 2.753,1398 0.305,1399 81.756,1400 0.227,1401 26.612,1402 0.491,1403 134,1404 336.761,1405 143.922,1406 324.444,1407 441.23,1408 306,1409 152,1410 315.816,1411 161.814,1412 322.7,1413 462.09,1414 302,1415 6.155}
{0 CHEMBL141810,1 1.365,2 12.423,3 3.515,4 12.353,5 107.025,6 6.595,7 0.414,8 4.046,9 4.182,10 3.525,11 3.6,12 4.99,13 3.55,14 4.635,15 4.834,16 3.856,17 4.023,18 5.507,19 3.94,20 4.952,21 5.194,22 3.909,23 4.198,24 5.753,25 4.066,26 5.056,27 5.334,28 3.754,29 4.134,30 5.868,31 3.967,32 4.953,33 5.25,34 3.612,35 4.021,36 5.688,37 3.852,38 4.803,39 5.073,40 3.54,41 3.975,42 5.53,43 3.804,44 4.806,45 5.087,46 3.449,47 3.914,48 5.548,49 3.728,50 4.676,51 4.974,52 3.303,53 3.749,54 5.422,55 3.565,56 0.053,57 0.775,58 12.385,59 5.019,60 6.682,61 7.195,62 0.253,63 1.314,64 23.253,65 8.383,66 17.741,67 12.379,68 0.207,69 1.653,70 32.091,71 12.06,72 22.466,73 17.688,74 0.375,75 1.691,76 36.519,77 12.756,78 45.52,79 18.861,80 0.329,81 1.511,82 33.074,83 11.331,84 38.762,85 16.91,86 0.244,87 1.349,88 27.88,89 10.548,90 22.849,91 15.364,92 0.224,93 1.301,94 28.117,95 10.583,96 28.549,97 15.395,98 0.316,99 1.138,100 25.024,101 8.847,102 31.745,103 13.083,104 2,105 39,106 0.228,107 0.529,108 0.693,109 0.797,110 0.845,111 0.845,112 3.303,113 1.001,114 -4.86,115 -4.77,116 -4.48,121 41.5,123 3,124 1,127 4,128 1,144 9,145 2,146 1,160 1,176 13,179 1,180 6,183 1,185 2,187 13,192 6,197 2,200 5,206 10,209 1,211 2,214 3,219 4,224 1,227 7,231 1,232 2,237 2,239 12,251 11,255 1,256 2,259 1,264 8,269 3,277 3,281 984,282 18.068,283 18.068,284 18.068,285 18.068,286 18.068,287 16.498,288 22.438,289 10.91,290 18.322,291 14.338,292 14.338,293 14.338,294 14.338,295 14.338,296 12.016,297 30.549,298 5.221,299 14.724,300 4.363,301 2.567,302 1.583,303 0.965,304 0.679,305 0.679,306 4.009,310 1,311 1,312 1,313 715,314 2.55,318 322.588,322 124.801,325 2.006,326 15.509,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 54.5,338 323,339 4.403,340 3.729,341 6.626,342 4.089,343 3.108,344 3.971,345 1.219,346 10.497,347 3.047,348 3.941,349 3.018,350 5.678,351 3.69,352 2.727,353 3.457,354 0.916,355 7.797,356 2.634,357 3.664,358 2.684,359 5.611,360 3.484,361 2.492,362 2.869,363 0.557,364 7.478,365 2.475,366 3.566,367 2.574,368 5.324,369 3.302,370 2.342,371 2.629,372 0.21,373 6.898,374 2.24,375 3.178,376 2.383,377 4.954,378 3.017,379 2.061,380 2.248,381 0.172,382 5.859,383 1.961,384 2.992,385 2.171,386 4.715,387 2.72,388 1.756,389 2.12,391 4.88,392 1.684,393 2.866,394 1.595,395 3.691,396 2.439,397 1.446,398 1.991,400 3.09,401 1.434,402 2.809,403 1.515,404 3.594,405 2.408,406 1.414,407 1.897,409 3.037,410 1.403,411 2.5,412 1.316,413 3.512,414 2,415 1,416 1.5,418 2.275,419 1,420 2.382,421 1.077,422 3.414,423 1.984,424 1,425 1.242,427 2.136,428 0.983,429 2,430 1,431 3.286,432 1.907,433 0.889,434 1,436 2.127,437 0.899,438 1.898,439 0.987,440 3.247,441 1.789,442 0.827,443 0.866,445 1.912,446 0.794,447 1.407,448 0.594,449 2.876,450 1.189,451 0.207,452 0.232,454 0.509,455 0.202,456 1.153,457 0.278,458 2.645,459 0.914,460 -0.078,461 -0.091,463 -0.191,464 -0.077,465 0.83,466 -0.209,467 2.341,468 0.538,469 -0.44,470 -0.519,472 -1.06,473 -0.427,474 12.533,475 0.482,476 0.465,477 0.018,478 30.75,479 1.183,480 14,481 0.538,482 16.75,483 0.644,484 22.696,485 0.873,486 28.267,487 0.533,488 19.915,489 0.766,490 5.891,491 0.227,492 6.901,493 0.265,494 0.027,496 0.263,501 0.786,502 1.389,503 0.897,504 1.133,505 0.539,506 1.038,507 0.994,508 1.064,509 1.066,510 1.006,511 0.582,512 1.023,513 0.89,514 1.197,515 1.03,516 1.151,517 0.707,518 1.107,519 1.222,520 1.047,521 1.046,522 1.025,523 1.312,524 1.023,525 1.288,526 0.825,527 0.971,528 0.818,529 1.254,530 0.857,531 0.932,532 0.935,533 1.064,534 1.032,535 0.928,536 1.055,537 1.033,538 1.015,539 1.025,540 1.047,541 1.271,542 1.044,543 1.067,544 0.765,545 0.981,546 0.833,547 1.221,548 0.891,549 4,550 0.107,551 2.444,552 1.188,553 1.28,554 0.451,555 0.341,556 0.313,557 0.131,558 0.082,559 9635,560 19930,561 2.172,562 50.9,563 1,564 17,565 2,567 1,569 6,572 1.682,573 2.108,574 3.584,575 -0.408,577 1,582 72.335,583 1.365,584 3.161,585 4.145,586 4.763,587 5.049,588 5.049,589 3.075,590 3.921,591 4.673,592 3.758,593 1221.19,594 8.051,595 15997.3,597 1,599 1,600 303.58,601 1.058,602 4.663,603 0.138,604 0.007,605 0.063,606 0.03,607 0.041,608 0.016,609 0.013,610 0.014,611 0.007,612 0.005,613 0.333,614 0.33,615 1,616 0.362,617 130.272,618 0.018,619 -0.172,620 0.071,621 -0.038,622 0.021,623 0.01,624 0.03,625 0.1,626 -0.072,627 -0.002,628 0.028,629 -0.037,630 -0.005,631 -0.17,632 -0.057,633 -0.15,634 0.055,635 -0.113,636 -0.001,637 -0.099,638 -0.045,639 -0.075,640 0.015,641 -0.067,642 -0.114,643 0.114,644 0.03,645 0.116,646 -0.075,647 0.092,648 -0.041,649 0.036,650 -0.093,651 -0.049,652 -0.074,653 -0.071,654 -0.048,655 -0.095,656 -0.049,657 -0.067,658 -0.104,659 -0.062,660 0.041,661 0.166,662 0.013,663 0.109,664 -0.079,665 0.064,666 1.499,667 5.622,668 0.846,669 25.988,670 0.986,671 1.126,672 3.634,673 13.207,674 0.653,675 3.401,676 3.689,677 3.951,678 4.174,679 4.407,680 4.357,681 4.443,682 4.554,683 4.644,684 4.615,685 7.228,686 0.606,687 349.52,688 3.401,689 4.92,690 5.759,691 6.613,692 7.465,693 8.323,694 9.179,695 10.041,696 10.899,697 11.762,698 5.7,701 1,703 1,705 1,715 9,720 3,722 12,730 1,734 1,741 53,743 13,744 2,745 29,747 56,748 22,749 12,750 3,751 9,752 1,756 4,757 5,767 2,768 1,770 3,772 13,773 9,774 1,777 1,782 1,786 1,790 1,793 27,794 4,795 1,796 4,802 3,808 0.75,809 1,829 4,833 1,855 1,859 3,868 26,876 8,877 1,880 1,881 2,893 1.9,896 1,901 12.333,902 9.15,903 5.75,904 3.39,907 2.09,908 1.279,909 0.996,910 5.447,911 9.574,912 3.611,913 4.094,914 4.58,915 5.027,916 5.463,917 5.363,918 5.568,919 5.732,920 5.894,921 5.849,922 1,923 39,924 9.683,926 4.106,927 0.026,929 7.481,931 19.285,933 16.378,936 1.981,937 51.5,939 1,940 1,941 306.049,942 116.822,943 24.259,945 25.145,948 116.822,949 331.194,950 24.259,952 20.828,953 85.286,954 47.86,955 12.252,956 23.542,957 282.506,959 306.049,960 141.081,961 25.145,964 235.422,965 95.772,968 23.952,969 99.119,970 18.011,972 306.049,973 49.404,974 116.822,977 306.049,978 31.536,979 91.535,980 18.011,981 25.145,982 306.049,983 49.404,984 116.822,986 0.572,987 0.334,988 0.18,989 0.099,990 19,991 7,992 0.089,993 5,994 1,995 1.091,996 4.027,997 211.279,998 0.091,999 22,1000 114.211,1005 17.416,1006 8.131,1007 4.233,1009 49.404,1010 18.519,1015 3.161,1017 18.011,1018 472.275,1019 36,1024 12.622,1028 0.167,1031 52.236,1032 59.687,1034 0.238,1035 0.552,1036 0.724,1037 0.832,1038 0.881,1039 0.881,1040 4.836,1041 1.414,1042 5.707,1043 3.09,1044 4.369,1045 4.779,1046 1.796,1047 6.463,1048 4.319,1049 5.973,1050 1,1051 7.226,1052 3.037,1053 3.761,1054 4.27,1055 0.57,1056 7.244,1057 3.68,1058 7.231,1059 1,1060 8.846,1061 2.275,1062 5.905,1063 6.776,1064 1.775,1065 10.339,1066 5.802,1067 8.519,1068 0.889,1069 10.529,1070 2.136,1071 6.155,1072 7.122,1073 0.918,1074 11.99,1075 6.028,1076 9.844,1077 0.827,1078 12.254,1079 2.127,1080 7.714,1081 9.084,1082 1.925,1083 14.59,1084 7.565,1085 11.194,1086 0.207,1087 14.008,1088 1.912,1089 8.385,1090 9.866,1091 1.249,1092 16.618,1093 8.218,1094 12.565,1095 -0.078,1096 15.785,1097 0.509,1098 9.687,1099 11.569,1100 2.153,1101 19.054,1102 9.498,1103 3.108,1104 -0.44,1105 17.58,1106 -0.191,1107 10.577,1108 12.593,1109 1.606,1110 21.255,1111 10.371,1112 2.727,1113 10.497,1114 19.388,1115 -1.06,1116 11.764,1117 14.156,1118 2.425,1119 23.635,1120 11.537,1121 2.492,1122 7.797,1123 21.208,1124 3.971,1125 12.767,1126 15.32,1127 1.991,1128 25.916,1129 12.523,1130 2.342,1131 7.478,1132 23.039,1133 3.457,1134 13.907,1135 16.803,1136 2.726,1137 28.276,1138 13.643,1139 2.061,1140 6.898,1141 24.878,1142 2.869,1143 14.968,1144 18.051,1145 2.394,1146 30.594,1147 14.686,1148 1.756,1149 5.859,1150 26.725,1151 2.629,1152 16.091,1153 19.487,1154 3.049,1155 32.948,1156 15.79,1157 1.446,1158 4.88,1159 28.578,1160 2.248,1161 17.182,1162 20.784,1163 2.807,1164 35.283,1165 16.862,1166 8912,1167 12925,1168 20.167,1169 34.608,1170 42.934,1171 43.781,1172 43.128,1173 42.575,1174 42.538,1175 52.042,1176 6.148,1177 116.99,1178 41.511,1179 5.403,1180 5.729,1181 6.428,1182 5.161,1183 5.108,1184 6.971,1185 2.319,1186 17.692,1187 5.047,1188 6.398,1189 1.48,1190 1.51,1191 1.487,1192 1.468,1193 1.467,1194 1.795,1195 0.212,1196 4.034,1197 1.431,1198 4.009,1199 4.052,1200 3.947,1201 3.905,1202 7.428,1203 3.908,1204 3.935,1205 3.975,1206 3.858,1207 3.855,1208 4.766,1209 3.851,1210 3.82,1211 3.867,1212 3.706,1213 3.72,1214 4.737,1215 3.709,1216 3.556,1217 3.625,1218 3.446,1219 3.36,1220 4.33,1221 3.372,1222 3.312,1223 3.389,1224 3.172,1225 3.125,1226 4.174,1227 3.129,1228 3.111,1229 3.206,1230 2.986,1231 2.941,1232 3.901,1233 2.91,1234 3.101,1235 3.183,1236 2.893,1237 2.925,1238 3.711,1239 2.909,1240 3.052,1241 3.091,1242 2.866,1243 2.867,1244 3.674,1245 2.88,1246 0.152,1247 0.129,1248 0.228,1249 0.141,1250 0.107,1251 4.403,1252 0.137,1253 3.729,1254 0.042,1255 6.626,1256 0.362,1257 4.089,1258 0.105,1259 3.108,1260 3.971,1261 1.219,1262 10.497,1263 3.047,1264 1.947,1265 1.914,1266 2.104,1267 2.088,1268 1.484,1269 2.093,1270 1.926,1271 1.893,1272 2.037,1273 2.045,1274 1.187,1275 2.046,1276 1.833,1277 1.784,1278 2.004,1279 1.946,1280 1.137,1281 1.969,1282 1.518,1283 1.448,1284 1.75,1285 1.733,1286 0.998,1287 1.744,1288 1.286,1289 1.214,1290 1.541,1291 1.517,1292 0.825,1293 1.534,1294 1.153,1295 1.064,1296 1.513,1297 1.376,1298 0.752,1299 1.429,1300 1.1,1301 1.022,1302 1.413,1303 1.328,1304 0.632,1305 1.359,1306 0.994,1307 0.952,1308 1.201,1309 1.224,1310 0.383,1311 1.208,1312 4.078,1314 5.371,1316 6.872,1318 8.464,1320 10.102,1328 8.431,1329 3.362,1332 0.729,1333 4.508,1340 32.101,1341 72.335,1342 167.524,1343 219.666,1344 252.46,1345 267.58,1346 267.58,1347 37.336,1348 7.484,1349 35.58,1350 35.58,1351 24,1352 12.311,1353 3.807,1354 3,1355 38.424,1356 115,1357 104,1358 0.162,1359 196.116,1360 341.23,1361 470.282,1362 20235,1364 17.769,1365 0.683,1366 0.586,1367 17.769,1368 15.233,1369 12.793,1370 0.441,1371 0.334,1372 9.584,1373 12.464,1374 9.384,1375 7.757,1376 12.793,1377 9.679,1378 11.109,1379 0.285,1380 0.191,1381 11.109,1382 7.443,1383 9.598,1384 0.188,1385 0.111,1386 9.598,1387 5.668,1388 7.835,1389 0.122,1390 0.063,1391 7.835,1392 4.04,1393 6.491,1394 0.08,1395 0.038,1396 6.491,1397 3.049,1398 0.263,1399 78.976,1400 0.223,1401 25.773,1402 0.42,1403 136,1404 309.359,1405 144.487,1406 305.105,1407 422.39,1408 288,1409 158,1410 309.256,1411 167.819,1412 317.156,1413 463.51,1414 299,1415 6.097}
{0 CHEMBL141853,1 1.285,2 11.808,3 4.484,4 20.109,5 108.222,6 6.26,7 0.429,8 4.07,9 4.207,10 3.492,11 3.628,12 5.002,13 3.56,14 4.65,15 4.857,16 3.787,17 4.019,18 5.489,19 3.914,20 4.963,21 5.218,22 3.832,23 4.178,24 5.744,25 4.033,26 5.038,27 5.311,28 3.752,29 4.172,30 5.814,31 4.003,32 5.032,33 5.313,34 3.755,35 4.175,36 5.799,37 4.006,38 5.015,39 5.288,40 3.709,41 4.187,42 5.778,43 4.004,44 5.002,45 5.283,46 3.573,47 4.127,48 5.735,49 3.92,50 4.905,51 5.209,52 3.359,53 3.955,54 5.6,55 3.726,56 0.059,57 0.774,58 13.334,59 5.571,60 8.086,61 7.981,62 0.214,63 1.292,64 24.086,65 9.025,66 17.437,67 13.373,68 0.249,69 1.632,70 32.744,71 12.112,72 28.98,73 17.883,74 0.295,75 1.68,76 35.277,77 12.947,78 37.623,79 18.996,80 0.28,81 1.658,82 34.883,83 13.117,84 38.194,85 19.162,86 0.27,87 1.636,88 34.111,89 13.579,90 34.072,91 19.495,92 0.227,93 1.563,94 33.403,95 13.589,96 34.656,97 19.42,98 0.272,99 1.399,100 30.355,101 11.752,102 34.328,103 17.191,104 7,105 36,106 0.213,107 0.483,108 0.67,109 0.763,110 0.814,111 0.82,112 3.303,113 1.058,114 -5.21,115 -5.1,116 -4.78,121 41.1,122 1,123 4,124 1,127 4,144 10,145 1,146 1,160 1,176 14,179 1,180 8,187 13,192 8,200 5,206 9,214 7,219 4,227 15,231 1,232 3,239 20,251 14,255 1,256 4,264 5,269 5,277 1,281 1024,282 17.991,283 17.991,284 17.991,285 17.991,286 17.991,287 16.383,288 20.487,289 11.037,290 18.179,291 13.782,292 13.782,293 13.782,294 13.782,295 13.782,296 11.45,297 25.509,298 5.201,299 14.074,300 4.522,301 2.9,302 1.772,303 1.21,304 0.906,305 0.871,306 3.99,311 1,312 1,313 652,314 3.464,318 298.461,325 1.929,326 13.453,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 54,338 307,339 4.197,340 3.747,341 6.443,342 3.932,343 2.977,344 3.618,345 1.94,346 9.906,347 2.841,348 3.941,349 3.018,350 5.616,351 3.684,352 2.721,353 3.457,354 0.916,355 7.787,356 2.627,357 3.609,358 2.735,359 5.329,360 3.462,361 2.463,362 2.879,363 0.555,364 6.944,365 2.459,366 3.563,367 2.553,368 5.067,369 3.163,370 2.155,371 2.632,372 0.172,373 5.877,374 2.168,375 3.175,376 2.233,377 4.953,378 3.027,379 2.071,380 2.241,382 5.754,383 1.969,384 2.913,385 1.804,386 3.975,387 2.516,388 1.519,389 2.046,391 3.379,392 1.509,393 2.822,394 1.517,395 3.595,396 2.415,397 1.42,398 1.923,400 3.042,401 1.412,402 2.5,403 1.221,404 3.49,405 2.084,406 1.104,407 1.5,409 2.582,410 1.079,411 2.5,412 1.077,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.291,421 1,422 3.247,423 2,424 1,425 1.25,427 2.136,428 1,429 2,430 1,431 3.247,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.542,439 0.999,440 3.045,441 1.461,442 0.475,443 0.497,445 0.997,446 0.467,447 1.419,448 0.558,449 2.754,450 1.16,451 0.144,452 0.163,454 0.255,455 0.144,456 1.145,457 0.237,458 2.297,459 0.92,460 -0.084,461 -0.099,463 -0.182,464 -0.084,465 0.704,466 -0.354,467 2.189,468 0.451,469 -0.537,470 -0.61,472 -1.215,473 -0.529,474 12.633,475 0.486,476 0.414,477 0.016,478 29.75,479 1.144,480 14,481 0.538,482 15.75,483 0.606,484 24.2,485 0.931,486 28.767,487 0.514,488 19.319,489 0.743,490 5.568,491 0.214,492 7.19,493 0.277,494 0.066,496 0.222,501 0.721,502 1.396,503 0.965,504 1.192,505 0.551,506 1.11,507 0.95,508 1.193,509 1.083,510 1.091,511 0.59,512 1.085,513 1.183,514 1.094,515 1.066,516 1.041,517 0.924,518 1.037,519 1.375,520 1.033,521 1.08,522 1.008,523 1.299,524 1.019,525 1.215,526 0.915,527 0.988,528 0.919,529 1.174,530 0.932,531 0.997,532 0.936,533 1.05,534 1.027,535 1.093,536 1.042,537 0.966,538 1.049,539 1.044,540 1.092,541 1.273,542 1.086,543 0.854,544 0.998,545 1,546 1.01,547 1.035,548 1.021,549 4,550 0.112,551 2.222,552 1.125,553 0.884,554 0.59,555 0.483,556 0.229,557 0.172,558 0.104,559 8706,560 17619,561 2.082,562 53.6,563 4,564 18,568 2,569 6,572 1.687,573 2,574 3.499,575 -0.874,577 1,582 71.963,583 1.285,584 2.908,585 4.035,586 4.597,587 4.901,588 4.937,589 2.878,590 4.056,591 4.672,592 3.693,593 1200.15,594 8.074,595 15784.5,597 1,599 1,600 325.212,601 1.14,602 4.655,603 0.143,604 0.007,605 0.062,606 0.031,607 0.028,608 0.018,609 0.016,610 0.009,611 0.009,612 0.006,613 0.328,614 0.5,615 1,616 0.827,617 129.83,618 0.054,619 -0.176,620 0.06,621 -0.054,622 0.022,623 -0.008,624 0.061,625 -0.042,626 -0.058,627 -0.063,628 0.029,629 -0.068,630 -0.07,631 -0.05,632 -0.06,633 -0.059,634 0.004,635 -0.057,636 -0.103,637 -0.043,638 -0.075,639 -0.048,640 -0.038,641 -0.057,642 -0.072,643 0.062,644 0.005,645 0.045,646 -0.027,647 0.035,648 -0.028,649 0.039,650 -0.072,651 -0.038,652 -0.059,653 -0.054,654 -0.038,655 -0.122,656 -0.081,657 -0.098,658 -0.107,659 -0.096,660 0.063,661 -0.081,662 -0.039,663 -0.055,664 -0.055,665 -0.058,666 1.447,667 5.358,668 0.692,669 25.893,670 0.98,671 1.125,672 3.983,673 15.863,674 0.645,675 3.367,676 3.611,677 3.829,678 4.007,679 4.19,680 4.094,681 4.174,682 4.234,683 4.263,684 4.29,685 7.025,686 0.592,687 350.55,688 3.367,689 4.86,690 5.673,691 6.506,692 7.334,693 8.172,694 9.004,695 9.844,696 10.679,697 11.519,698 3.6,701 1,705 1,715 10,720 2,722 12,741 56,743 13,744 2,745 28,747 58,748 23,749 12,750 2,751 10,756 3,757 3,763 1,767 2,768 1,770 4,772 13,773 10,774 1,777 1,782 1,786 1,790 1,793 30,794 3,796 3,802 2,808 1,809 1,829 3,844 1,855 1,859 3,864 1,868 26,876 8,880 1,881 2,893 1.8,896 1,901 13,902 9.983,903 5.972,904 3.764,907 1.755,908 1.255,909 0.957,910 6.991,911 8.651,912 3.584,913 4.025,914 4.449,915 4.866,916 5.286,917 5.058,918 5.259,919 5.414,920 5.346,921 5.438,922 0.875,923 36,924 9.674,926 3.953,927 0.026,929 7.474,931 19.292,933 15.852,936 1.974,937 51.333,939 1,940 1,941 353.133,942 132.796,943 6.249,945 25.145,948 132.796,949 378.278,950 6.249,951 8.825,952 21.685,953 94.762,954 29.85,955 9.067,957 353.133,959 353.133,960 139.044,961 25.145,964 282.506,965 95.772,968 33.635,969 105.409,972 353.133,973 31.394,974 132.796,977 353.133,978 29.208,979 109.836,981 25.145,982 353.133,983 31.394,984 132.796,986 0.559,987 0.324,988 0.171,989 0.093,990 15,991 6,992 0.121,993 7,995 1,996 3.941,997 201.894,999 18,1000 110.211,1005 18.819,1006 9.658,1007 5.517,1009 31.394,1010 20.815,1015 2.426,1018 517.322,1019 35,1024 12.358,1028 0.22,1031 54.901,1032 63.019,1034 0.221,1035 0.501,1036 0.695,1037 0.792,1038 0.844,1039 0.85,1040 4.779,1041 1.104,1042 5.602,1043 3.042,1044 4.29,1045 4.71,1046 2.218,1047 6.315,1048 4.247,1049 5.899,1050 1,1051 7.096,1052 2.582,1053 3.611,1054 4.06,1055 1.738,1056 7.034,1057 3.515,1058 7.136,1059 1,1060 8.691,1061 2.275,1062 5.784,1063 6.646,1064 3.016,1065 10.099,1066 5.678,1067 8.402,1068 1,1069 10.349,1070 2.136,1071 5.969,1072 6.788,1073 3.151,1074 11.705,1075 5.798,1076 9.701,1077 0.475,1078 12.049,1079 2.136,1080 7.542,1081 8.852,1082 4.143,1083 14.253,1084 7.361,1085 11.021,1086 0.144,1087 13.78,1088 0.997,1089 8.149,1090 9.386,1091 4.544,1092 16.236,1093 7.898,1094 12.358,1095 -0.084,1096 15.534,1097 0.255,1098 9.449,1099 11.194,1100 5.384,1101 18.609,1102 9.182,1103 2.977,1104 -0.537,1105 17.305,1106 -0.182,1107 10.277,1108 11.959,1109 5.913,1110 20.761,1111 9.941,1112 2.721,1113 9.906,1114 19.09,1115 -1.215,1116 11.449,1117 13.609,1118 6.67,1119 23.075,1120 11.088,1121 2.463,1122 7.787,1123 20.886,1124 3.618,1125 12.394,1126 14.524,1127 7.263,1128 25.303,1129 11.966,1130 2.155,1131 6.944,1132 22.692,1133 3.457,1134 13.507,1135 16.066,1136 7.976,1137 27.598,1138 13.046,1139 2.071,1140 5.877,1141 24.506,1142 2.879,1143 14.513,1144 17.085,1145 8.603,1146 29.859,1147 13.99,1148 1.519,1149 5.754,1150 26.327,1151 2.632,1152 15.601,1153 18.551,1154 9.292,1155 32.15,1156 15.038,1157 1.42,1158 3.379,1159 28.155,1160 2.241,1161 16.639,1162 19.643,1163 9.936,1164 34.427,1165 16.019,1166 8403,1167 12028,1168 19.068,1169 36.126,1170 40.447,1171 41.239,1172 41.493,1173 40.149,1174 40.095,1175 49.412,1176 7.169,1177 106.138,1178 39.317,1179 5.197,1180 5.747,1181 6.245,1182 4.968,1183 4.977,1184 6.618,1185 3.348,1186 16.483,1187 4.841,1188 9.346,1189 1.445,1190 1.473,1191 1.482,1192 1.434,1193 1.432,1194 1.765,1195 0.256,1196 3.791,1197 1.404,1198 3.986,1199 4.034,1200 3.901,1201 3.888,1202 7.427,1203 3.884,1204 3.91,1205 3.946,1206 3.84,1207 3.833,1208 4.769,1209 3.83,1210 3.812,1211 3.86,1212 3.698,1213 3.713,1214 4.743,1215 3.702,1216 3.624,1217 3.676,1218 3.515,1219 3.45,1220 4.324,1221 3.456,1222 3.413,1223 3.495,1224 3.245,1225 3.237,1226 4.056,1227 3.227,1228 3.168,1229 3.249,1230 2.995,1231 3,1232 3.931,1233 2.989,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.755,1239 2.91,1240 2.958,1241 3.03,1242 2.777,1243 2.778,1244 3.674,1245 2.771,1246 0.15,1247 0.134,1248 0.23,1249 0.14,1250 0.106,1251 4.197,1252 0.129,1253 3.747,1254 0.069,1255 6.443,1256 0.354,1257 3.932,1258 0.101,1259 2.977,1260 3.618,1261 1.94,1262 9.906,1263 2.841,1264 1.938,1265 1.899,1266 2.104,1267 2.075,1268 1.483,1269 2.088,1270 1.904,1271 1.872,1272 2.031,1273 2.012,1274 1.178,1275 2.019,1276 1.826,1277 1.777,1278 1.996,1279 1.939,1280 1.114,1281 1.962,1282 1.596,1283 1.54,1284 1.851,1285 1.794,1286 0.997,1287 1.812,1288 1.415,1289 1.336,1290 1.698,1291 1.631,1292 0.957,1293 1.661,1294 1.167,1295 1.093,1296 1.513,1297 1.386,1298 0.825,1299 1.429,1300 1.153,1301 1.064,1302 1.45,1303 1.376,1304 0.679,1305 1.411,1306 0.944,1307 0.875,1308 1.226,1309 1.19,1310 0.422,1311 1.207,1312 4.043,1314 5.303,1316 6.765,1318 8.308,1320 9.89,1322 1.945,1328 8.326,1332 0.72,1333 4.522,1340 33.133,1341 71.963,1342 162.825,1343 225.953,1344 257.437,1345 274.457,1346 276.457,1347 42.897,1348 6.896,1349 23.55,1350 23.55,1351 18,1352 12.085,1353 3.807,1354 3,1355 44.551,1356 111,1357 104,1358 0.195,1359 206.307,1360 359.89,1361 495.15,1362 8956,1364 18.192,1365 0.7,1366 0.608,1367 18.192,1368 15.81,1369 12.758,1370 0.456,1371 0.353,1372 9.805,1373 12.491,1374 9.546,1375 7.958,1376 12.758,1377 9.877,1378 10.651,1379 0.296,1380 0.201,1381 10.651,1382 7.228,1383 8.896,1384 0.198,1385 0.12,1386 8.896,1387 5.388,1388 6.928,1389 0.128,1390 0.07,1391 6.928,1392 3.783,1393 5.579,1394 0.086,1395 0.043,1396 5.579,1397 2.791,1398 0.313,1399 78.277,1400 0.229,1401 25.664,1402 0.513,1403 128,1404 285.026,1405 135.044,1406 282.028,1407 387.66,1408 266,1409 145,1410 281.27,1411 152.655,1412 287.593,1413 414.8,1414 272,1415 6.081}
{0 CHEMBL141873,1 1.334,2 13.75,3 5.465,4 29.87,5 130.231,6 6.697,7 0.514,8 4.221,9 4.344,10 3.706,11 3.791,12 5.221,13 3.741,14 4.779,15 4.965,16 4.011,17 4.179,18 5.697,19 4.099,20 5.068,21 5.296,22 4.076,23 4.343,24 5.923,25 4.224,26 5.175,27 5.432,28 4.004,29 4.337,30 6.031,31 4.193,32 5.166,33 5.433,34 4.01,35 4.34,36 6.009,37 4.2,38 5.125,39 5.368,40 4.036,41 4.382,42 6.002,43 4.237,44 5.152,45 5.397,46 3.986,47 4.383,48 5.993,49 4.224,50 5.137,51 5.398,52 3.866,53 4.287,54 5.964,55 4.12,56 0.053,57 0.863,58 14.435,59 6.304,60 9.77,61 8.626,62 0.255,63 1.449,64 26.566,65 10.206,66 23.493,67 14.344,68 0.248,69 1.853,70 35.907,71 13.931,72 31.68,73 19.781,74 0.341,75 1.98,76 40.821,77 15.233,78 48.58,79 21.703,80 0.361,81 1.954,82 40.571,83 15.144,84 51.586,85 21.634,86 0.45,87 1.898,88 38.29,89 15.482,90 49.401,91 21.788,92 0.25,93 1.915,94 39.114,95 16.276,96 44.298,97 22.742,98 0.399,99 1.86,100 39.423,101 15.125,102 54.149,103 21.337,104 6,105 46,106 0.213,107 0.481,108 0.655,109 0.773,110 0.816,111 0.821,112 3.502,113 0.986,114 -5.74,115 -5.6,116 -5.22,121 43.8,123 3,124 1,126 1,127 4,144 14,145 2,146 2,160 1,176 17,179 1,180 10,187 17,192 12,200 7,206 14,214 7,219 4,227 18,231 3,232 3,239 29,251 23,255 1,256 7,264 11,269 9,277 1,281 2052,282 22.214,283 22.214,284 22.214,285 22.214,286 22.214,287 19.946,288 24.257,289 13.481,290 22.584,291 17.232,292 17.232,293 17.232,294 17.232,295 17.232,296 13.907,297 30.346,298 6.371,299 17.72,300 4.666,301 2.987,302 1.896,303 1.153,304 0.887,305 0.856,306 4.202,312 1,313 951,314 3.606,318 500.302,325 1.953,326 18.735,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 67,338 440,339 4.337,340 3.728,341 6.61,342 4.047,343 3.077,344 3.839,345 1.2,346 10.446,347 2.987,348 3.982,349 3.018,350 5.749,351 3.688,352 2.725,353 3.529,354 0.916,355 7.802,356 2.634,357 3.94,358 2.848,359 5.616,360 3.578,361 2.607,362 3.457,363 0.86,364 7.754,365 2.531,366 3.669,367 2.728,368 5.329,369 3.459,370 2.462,371 3.052,372 0.293,373 6.943,374 2.453,375 3.602,376 2.553,377 5.276,378 3.259,379 2.292,380 2.639,381 0.172,382 6.648,383 2.202,384 3.209,385 2.233,386 4.955,387 3.035,388 2.081,389 2.362,391 5.869,392 1.975,393 3.102,394 1.994,395 4.62,396 2.748,397 1.777,398 2.218,400 4.65,401 1.719,402 2.823,403 1.794,404 3.725,405 2.417,406 1.422,407 1.923,409 3.045,410 1.414,411 2.732,412 1.517,413 3.594,414 2.246,415 1.248,416 1.775,418 2.864,419 1.239,420 2.5,421 1.221,422 3.476,423 2,424 1,425 1.5,427 2.318,428 1,429 2.5,430 1.077,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.5,439 1.066,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.223,448 1,449 3.247,450 1.984,451 1,452 1.125,454 2.136,455 0.983,456 2,457 1,458 3.247,459 1.974,460 0.977,461 1,463 2.136,464 0.965,465 1.645,466 1,467 3.018,468 1.387,469 0.495,470 0.547,472 0.89,473 0.435,474 15.467,475 0.483,476 0.533,477 0.017,478 40.25,479 1.258,480 20.5,481 0.641,482 19.75,483 0.617,484 28.484,485 0.89,486 34.333,487 0.536,488 29.95,489 0.936,490 7.944,491 0.248,492 7.781,493 0.243,494 0.054,496 0.246,501 0.759,502 1.312,503 0.881,504 1.132,505 0.573,506 1.034,507 1.128,508 1.101,509 1.049,510 1.007,511 0.666,512 1.01,513 0.965,514 1.155,515 1.034,516 1.094,517 0.737,518 1.067,519 1.157,520 1.075,521 1.04,522 1.025,523 1.3,524 1.019,525 1.121,526 0.867,527 0.944,528 0.852,529 1.467,530 0.871,531 0.707,532 0.91,533 0.998,534 0.996,535 1.077,536 1.019,537 0.827,538 1.096,539 1.028,540 1.124,541 1.296,542 1.106,543 1.151,544 0.991,545 1.085,546 1.011,547 1.424,548 1.041,549 5,550 0.182,551 2.889,552 1.5,553 1.387,554 0.833,555 0.606,556 0.387,557 0.237,558 0.201,559 15467,560 33827,561 2.12,562 50,563 1,564 25,569 6,572 1.745,573 2.043,574 3.69,575 -0.867,582 85.394,583 1.334,584 3.013,585 4.104,586 4.847,587 5.113,588 5.144,589 3.204,590 4.313,591 4.967,592 3.884,593 1926.55,594 8.692,595 29223.3,600 384,601 1.122,602 4.957,603 0.143,604 0.007,605 0.063,606 0.032,607 0.033,608 0.019,609 0.013,610 0.009,611 0.007,612 0.007,613 0.332,614 0.33,615 0.88,616 0.563,617 170.404,618 0.037,619 -0.16,620 0.067,621 -0.057,622 0.025,623 -0.004,624 -0.032,625 0.018,626 -0.06,627 -0.008,628 0.02,629 -0.032,630 -0.033,631 -0.112,632 -0.055,633 -0.106,634 0.072,635 -0.085,636 -0.061,637 -0.079,638 -0.042,639 -0.062,640 0.009,641 -0.051,642 -0.071,643 0.125,644 0.053,645 0.109,646 -0.056,647 0.098,648 0.159,649 0.087,650 -0.027,651 0.003,652 0.038,653 -0.023,654 -0.013,655 -0.136,656 -0.066,657 -0.113,658 -0.094,659 -0.099,660 -0.05,661 -0.027,662 -0.09,663 -0.038,664 -0.143,665 -0.066,666 1.625,667 6.35,668 0.75,669 38.008,670 0.986,671 1.119,672 4.506,673 20.308,674 0.662,675 3.584,676 3.85,677 4.094,678 4.29,679 4.511,680 4.489,681 4.595,682 4.673,683 4.745,684 4.796,685 7.872,686 0.615,687 428.62,688 3.584,689 5.094,690 5.922,691 6.765,692 7.606,693 8.456,694 9.303,695 10.156,696 11.006,697 11.861,698 3.1,701 1,705 1,715 14,720 4,722 18,730 1,739 1,741 64,743 19,744 3,745 35,747 67,748 28,749 18,750 4,751 14,752 1,756 4,757 4,767 2,768 1,770 3,772 19,773 9,774 1,777 1,782 1,786 1,793 32,794 4,796 4,802 2,808 1,809 2,829 4,855 1,859 4,864 1,868 32,876 7,878 1,880 1,881 2,893 3.1,896 1,898 1,901 15.667,902 11.483,903 7.25,904 3.965,907 2.048,908 1.275,909 0.974,910 7.841,911 9.491,912 3.829,913 4.324,914 4.818,915 5.276,916 5.75,917 5.696,918 5.93,919 6.079,920 6.288,921 6.501,922 1,923 47,924 11.878,926 4.924,927 0.026,929 7.521,931 23.388,933 19.225,936 2.021,937 64.667,941 376.675,942 178.653,943 6.249,945 36.145,948 178.653,949 412.82,950 6.249,951 10.883,952 19.151,953 132.667,954 29.85,955 28.496,957 376.675,959 376.675,960 184.902,961 36.145,964 306.049,965 106.771,968 22.275,969 162.626,972 376.675,973 42.393,974 178.653,977 376.675,978 35.102,979 149.799,981 36.145,982 376.675,983 42.393,984 178.653,986 0.565,987 0.33,988 0.174,989 0.096,990 20,991 8,992 0.119,993 8,995 1,996 4.46,997 279.646,999 24,1000 140,1005 22.416,1006 11.194,1007 6.147,1009 42.393,1010 28.091,1015 3.781,1018 597.722,1019 45,1024 13.35,1028 0.042,1031 63.112,1032 71.643,1034 0.222,1035 0.502,1036 0.684,1037 0.808,1038 0.852,1039 0.857,1040 5.034,1041 1.422,1042 5.861,1043 4.65,1044 4.533,1045 5.011,1046 1.926,1047 6.597,1048 4.481,1049 6.177,1050 1.248,1051 7.37,1052 3.045,1053 3.892,1054 4.443,1055 0.57,1056 7.353,1057 3.794,1058 7.433,1059 1,1060 8.979,1061 2.864,1062 6.052,1063 7.032,1064 1.885,1065 10.43,1066 5.945,1067 8.719,1068 1,1069 10.65,1070 2.318,1071 6.275,1072 7.283,1073 0.877,1074 12.058,1075 6.117,1076 10.038,1077 1,1078 12.363,1079 2.275,1080 7.836,1081 9.319,1082 1.975,1083 14.638,1084 7.671,1085 11.379,1086 1,1087 14.106,1088 2.275,1089 8.474,1090 9.975,1091 1.159,1092 16.645,1093 8.261,1094 12.737,1095 0.977,1096 15.871,1097 2.136,1098 9.771,1099 11.741,1100 2.138,1101 19.064,1102 9.547,1103 3.077,1104 0.495,1105 17.654,1106 2.136,1107 10.627,1108 12.629,1109 1.472,1110 21.249,1111 10.359,1112 2.725,1113 10.446,1114 19.452,1115 0.89,1116 11.804,1117 14.236,1118 2.352,1119 23.615,1120 11.519,1121 2.607,1122 7.802,1123 21.261,1124 3.839,1125 12.776,1126 15.272,1127 1.815,1128 25.884,1129 12.452,1130 2.462,1131 7.754,1132 23.082,1133 3.529,1134 13.901,1135 16.778,1136 2.603,1137 28.234,1138 13.555,1139 2.292,1140 6.943,1141 24.911,1142 3.457,1143 14.936,1144 17.911,1145 2.18,1146 30.543,1147 14.553,1148 2.081,1149 6.648,1150 26.749,1151 3.052,1152 16.042,1153 19.353,1154 2.882,1155 32.889,1156 15.635,1157 1.777,1158 5.869,1159 28.593,1160 2.639,1161 17.11,1162 20.55,1163 2.556,1164 35.217,1165 16.669,1166 14616,1167 21752,1168 24.038,1169 42.341,1170 51.332,1171 52.221,1172 52.03,1173 50.861,1174 50.854,1175 64.539,1176 6.883,1177 137.212,1178 49.589,1179 5.337,1180 5.728,1181 6.412,1182 5.083,1183 5.077,1184 6.839,1185 2.293,1186 17.58,1187 4.987,1188 10.764,1189 1.467,1190 1.492,1191 1.487,1192 1.453,1193 1.453,1194 1.844,1195 0.197,1196 3.92,1197 1.417,1198 4.01,1199 4.05,1200 3.944,1201 3.913,1202 7.428,1203 3.914,1204 3.928,1205 3.964,1206 3.854,1207 3.851,1208 4.86,1209 3.847,1210 3.859,1211 3.887,1212 3.792,1213 3.793,1214 4.763,1215 3.789,1216 3.812,1217 3.859,1218 3.697,1219 3.712,1220 4.743,1221 3.701,1222 3.498,1223 3.561,1224 3.395,1225 3.305,1226 4.345,1227 3.314,1228 3.314,1229 3.362,1230 3.192,1231 3.098,1232 4.318,1233 3.116,1234 3.178,1235 3.255,1236 3.001,1237 2.966,1238 3.996,1239 2.962,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.765,1245 2.91,1246 0.124,1247 0.107,1248 0.189,1249 0.116,1250 0.088,1251 4.337,1252 0.11,1253 3.728,1254 0.034,1255 6.61,1256 0.298,1257 4.047,1258 0.085,1259 3.077,1260 3.839,1261 1.2,1262 10.446,1263 2.987,1264 1.945,1265 1.913,1266 2.104,1267 2.079,1268 1.483,1269 2.09,1270 1.922,1271 1.892,1272 2.037,1273 2.03,1274 1.177,1275 2.033,1276 1.86,1277 1.834,1278 2.001,1279 1.954,1280 1.117,1281 1.969,1282 1.826,1283 1.777,1284 1.974,1285 1.936,1286 1.05,1287 1.953,1288 1.462,1289 1.394,1290 1.71,1291 1.68,1292 0.964,1293 1.692,1294 1.245,1295 1.195,1296 1.572,1297 1.529,1298 0.825,1299 1.54,1300 1.162,1301 1.085,1302 1.513,1303 1.401,1304 0.682,1305 1.429,1306 1.153,1307 1.064,1308 1.452,1309 1.376,1310 0.576,1311 1.42,1312 4.263,1314 5.541,1316 7.022,1318 8.584,1320 10.184,1322 1.637,1328 7.404,1330 5.238,1332 0.65,1333 4.474,1340 39.374,1341 85.394,1342 192.826,1343 262.658,1344 310.226,1345 327.245,1346 329.245,1347 52.799,1348 7.444,1349 32.78,1350 32.78,1351 24,1352 12.416,1353 4.322,1354 3.459,1355 51.886,1356 146,1357 164,1358 0.164,1359 242.09,1360 424,1361 582.458,1362 17490,1364 22.175,1365 0.693,1366 0.588,1367 22.175,1368 18.821,1369 15.725,1370 0.449,1371 0.329,1372 11.387,1373 15.306,1374 11.092,1375 9.233,1376 15.725,1377 11.5,1378 13.314,1379 0.289,1380 0.185,1381 13.314,1382 8.515,1383 11.409,1384 0.193,1385 0.108,1386 11.409,1387 6.367,1388 9.04,1389 0.126,1390 0.062,1391 9.04,1392 4.432,1393 7.315,1394 0.081,1395 0.036,1396 7.315,1397 3.248,1398 0.262,1399 97.191,1400 0.204,1401 30.398,1402 0.436,1403 162,1404 396.761,1405 171.922,1406 387.62,1407 533.74,1408 366,1409 186,1410 387.816,1411 196.812,1412 398.277,1413 575.59,1414 374,1415 6.229}
{0 CHEMBL142013,1 1.177,2 12.4,3 4.639,4 21.524,5 107.468,6 6.083,7 0.429,8 4.064,9 4.204,10 3.482,11 3.642,12 4.905,13 3.568,14 4.674,15 4.884,16 3.793,17 4.073,18 5.414,19 3.962,20 4.995,21 5.249,22 3.802,23 4.258,24 5.632,25 4.086,26 5.107,27 5.409,28 3.619,29 4.211,30 5.655,31 3.986,32 5.024,33 5.347,34 3.533,35 4.084,36 5.553,37 3.868,38 4.845,39 5.134,40 3.457,41 4.022,42 5.422,43 3.816,44 4.847,45 5.148,46 3.351,47 3.978,48 5.384,49 3.747,50 4.743,51 5.065,52 3.234,53 3.813,54 5.283,55 3.59,56 0.069,57 0.772,58 13.567,59 5.591,60 8.167,61 8.14,62 0.173,63 1.346,64 24.849,65 9.284,66 14.806,67 13.923,68 0.194,69 1.724,70 33.306,71 13.388,72 18.056,73 19.669,74 0.207,75 1.806,76 36.463,77 14.674,78 19.584,79 21.595,80 0.215,81 1.634,82 33.426,83 12.916,84 18.917,85 19.242,86 0.19,87 1.413,88 28.18,89 11.549,90 15.417,91 16.817,92 0.131,93 1.366,94 27.743,95 11.95,96 14.056,97 17.234,98 0.152,99 1.223,100 25.086,101 9.979,102 14.556,103 14.734,105 37,106 0.196,107 0.446,108 0.627,109 0.715,110 0.782,111 0.826,112 3.266,113 1.063,114 -5.45,115 -5.33,116 -4.98,121 41.8,123 4,124 1,127 6,144 9,145 3,176 16,180 6,187 17,192 6,200 8,206 7,214 5,219 2,227 9,231 1,239 15,251 13,256 3,264 8,269 4,277 3,281 914,282 17.516,283 17.516,284 17.516,285 17.516,286 17.516,287 16.013,288 20.692,289 10.709,290 17.731,291 13.887,292 13.887,293 13.887,294 13.887,295 13.887,296 11.754,297 25.813,298 5.175,299 14.231,300 4.605,301 3.106,302 2.021,303 1.493,304 1.087,305 0.827,306 3.975,311 1,312 1,313 690,314 2.449,318 311.912,322 120.35,325 2.064,326 6.353,328 1,329 0.75,330 1,331 1,332 1,333 1,334 1,335 1,336 0.96,337 51,338 310,339 4.229,340 3.206,341 6.183,342 3.909,343 2.925,344 3.815,345 0.916,346 9.226,347 2.884,348 3.941,349 3.018,350 5.618,351 3.69,352 2.726,353 3.457,354 0.916,355 7.792,356 2.635,357 3.62,358 2.631,359 5.372,360 3.482,361 2.489,362 2.652,363 0.172,364 7.051,365 2.474,366 3.373,367 2.51,368 5.21,369 3.207,370 2.269,371 2.432,372 0.172,373 6.562,374 2.119,375 3.134,376 2.197,377 4.944,378 2.988,379 2.037,380 2.213,382 5.834,383 1.928,384 2.927,385 1.911,386 4.414,387 2.614,388 1.618,389 2.073,391 4.367,392 1.612,393 2.848,394 1.52,395 3.622,396 2.425,397 1.428,398 1.975,400 3.048,401 1.423,402 2.809,403 1.478,404 3.593,405 2.402,406 1.407,407 1.897,409 3.015,410 1.399,411 2.5,412 1.077,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2,421 1,422 3.288,423 1.984,424 1,425 1,427 2.136,428 0.983,429 1.945,430 0.907,431 3.247,432 1.811,433 0.828,434 0.895,436 1.911,437 0.813,438 1.726,439 0.726,440 3.127,441 1.593,442 0.609,443 0.674,445 1.432,446 0.598,447 1.231,448 0.326,449 2.809,450 1.071,451 0.1,452 0.109,454 0.252,455 0.097,456 0.868,457 -0.111,458 2.447,459 0.658,460 -0.326,461 -0.364,463 -0.804,464 -0.32,465 0.69,466 -0.324,467 2.177,468 0.387,469 -0.605,470 -0.683,472 -1.351,473 -0.599,474 12.3,475 0.492,476 0.393,477 0.016,478 27.5,479 1.1,480 12,481 0.48,482 15.5,483 0.62,484 23.629,485 0.945,486 27.3,487 0.496,488 15.646,489 0.626,490 5.08,491 0.203,492 7.286,493 0.291,496 0.228,501 1.026,502 1.354,503 0.997,504 1.151,505 0.855,506 1.087,507 1.923,508 1.091,509 1.17,510 1.019,511 1.101,512 1.049,513 1.232,514 1.156,515 1.156,516 1.144,517 0.958,518 1.146,519 0.949,520 1.086,521 1.026,522 1.065,523 0.827,524 1.052,525 1.171,526 0.827,527 0.875,528 0.809,529 0.85,530 0.823,531 1.041,532 0.909,533 1.068,534 1.002,535 1.058,536 1.03,537 0.53,538 1.029,539 0.966,540 1.061,541 0.863,542 1.041,543 1.005,544 0.837,545 0.878,546 0.84,547 0.923,548 0.85,549 4,550 0.074,551 1.778,552 0.625,553 1.129,554 0.278,555 0.26,556 0.297,557 0.086,558 0.082,559 9010,560 15558,561 2.204,562 54.5,563 1,564 21,569 8,572 1.67,573 2.174,574 3.599,575 -0.909,582 64.726,583 1.177,584 2.676,585 3.76,586 4.288,587 4.695,588 4.954,589 3.083,590 4.324,591 4.616,592 3.762,593 1128.63,594 7.931,595 14528.9,597 1,600 317.975,601 0.795,602 4.619,603 0.143,604 0.005,605 0.048,606 0.018,607 0.042,608 0.011,609 0.011,610 0.014,611 0.005,612 0.005,613 0.301,614 0.5,615 0.88,617 124.209,618 0.152,619 -0.15,620 0.085,621 -0.03,622 0.209,623 0.014,624 -0.232,625 0.067,626 -0.098,627 -0.004,628 -0.062,629 -0.037,630 -0.115,631 -0.119,632 -0.15,633 -0.141,634 -0.075,635 -0.146,636 0.01,637 -0.136,638 -0.058,639 -0.103,640 -0.003,641 -0.088,642 -0.01,643 0.113,644 0.095,645 0.119,646 0.04,647 0.113,648 -0.04,649 0.071,650 -0.089,651 -0.026,652 -0.157,653 -0.054,654 0.062,655 -0.111,656 -0.021,657 -0.074,658 -0.044,659 -0.056,660 0.004,661 0.091,662 0.082,663 0.098,665 0.095,666 0.413,667 0.665,668 0.88,669 25.347,670 0.974,671 1.124,672 4.224,673 17.845,674 0.649,675 3.367,676 3.638,677 3.871,678 4.094,679 4.344,680 4.263,681 4.357,682 4.489,683 4.564,684 4.522,685 7.236,686 0.589,687 334.55,688 3.367,689 4.875,690 5.7,691 6.544,692 7.381,693 8.227,694 9.068,695 9.916,696 10.759,697 11.607,698 3.6,701 2,715 9,720 3,722 12,741 55,743 12,744 2,745 28,747 58,748 23,749 12,750 3,751 9,756 4,757 5,767 3,768 1,770 4,772 12,773 11,774 1,790 1,793 30,794 2,796 2,802 2,808 0.75,829 4,833 1,855 2,859 3,868 25,876 10,880 1,881 2,901 11.5,902 9.483,903 5.528,904 3.649,907 2.011,908 1.272,909 0.995,910 5.488,911 9.411,912 3.555,913 4.025,914 4.472,915 4.916,916 5.372,917 5.194,918 5.373,919 5.609,920 5.758,921 5.661,922 1,923 35,924 9.313,926 3.883,927 0.026,929 7.233,931 19.133,933 16.44,936 1.733,937 43.333,938 0.001,939 1,940 1,941 353.133,942 117.615,943 6.249,948 117.615,949 353.133,950 6.249,952 22.772,953 85.286,955 15.805,957 353.133,959 353.133,960 123.864,964 258.964,965 94.169,968 29.021,969 94.843,972 353.133,973 6.249,974 117.615,977 353.133,978 32.329,979 91.535,982 353.133,983 6.249,984 117.615,986 0.567,987 0.322,988 0.174,989 0.099,990 18,991 6,992 0.086,993 5,994 1,995 1.091,996 4.017,997 197.129,998 0.091,999 22,1000 108.096,1005 16.812,1006 8.162,1007 4.506,1009 6.249,1010 19.883,1015 4.562,1018 476.997,1019 34,1031 53.574,1032 61.809,1034 0.204,1035 0.463,1036 0.65,1037 0.742,1038 0.812,1039 0.857,1040 4.771,1041 1.407,1042 5.631,1043 3.048,1044 4.317,1045 4.71,1046 1.388,1047 6.344,1048 4.27,1049 5.887,1050 1,1051 7.117,1052 3.015,1053 3.611,1054 4.086,1055 0.57,1056 6.986,1057 3.519,1058 7.127,1059 1,1060 8.697,1061 2.275,1062 5.814,1063 6.67,1064 1.069,1065 10.047,1066 5.717,1067 8.393,1068 0.828,1069 10.333,1070 2.136,1071 5.943,1072 6.882,1073 0.674,1074 11.531,1075 5.811,1076 9.692,1077 0.609,1078 12.006,1079 1.911,1080 7.552,1081 8.929,1082 0.878,1083 14.053,1084 7.413,1085 11.013,1086 0.1,1087 13.705,1088 1.432,1089 8.103,1090 9.581,1091 0.66,1092 15.909,1093 7.939,1094 12.353,1095 -0.326,1096 15.422,1097 0.252,1098 9.427,1099 11.353,1100 0.741,1101 18.23,1102 9.252,1103 2.925,1104 -0.605,1105 17.153,1106 -0.804,1107 10.208,1108 12.259,1109 0.611,1110 20.266,1111 10.014,1112 2.726,1113 9.226,1114 18.895,1115 -1.351,1116 11.389,1117 13.867,1118 0.633,1119 22.511,1120 11.182,1121 2.489,1122 7.792,1123 20.646,1124 3.815,1125 12.294,1126 14.927,1127 0.55,1128 24.635,1129 12.072,1130 2.269,1131 7.051,1132 22.405,1133 3.457,1134 13.405,1135 16.433,1136 0.545,1137 26.854,1138 13.169,1139 2.037,1140 6.562,1141 24.17,1142 2.652,1143 14.379,1144 17.589,1145 0.487,1146 29.023,1147 14.129,1148 1.618,1149 5.834,1150 25.941,1151 2.432,1152 15.457,1153 19.031,1154 0.47,1155 31.235,1156 15.192,1157 1.428,1158 4.367,1159 27.718,1160 2.213,1161 16.468,1162 20.249,1163 0.427,1164 33.426,1165 16.19,1166 8277,1167 10931,1168 19.761,1169 35.671,1170 40.994,1171 40.888,1172 40.97,1173 40.911,1174 40.871,1175 49.385,1176 4.355,1177 109.803,1178 39.927,1179 5.229,1180 5.206,1181 5.985,1182 4.945,1183 4.925,1184 6.815,1185 1.605,1186 15.537,1187 4.884,1189 1.464,1190 1.46,1191 1.463,1192 1.461,1193 1.46,1194 1.764,1195 0.156,1196 3.922,1197 1.426,1198 4.017,1199 4.062,1200 3.937,1201 3.935,1202 4.766,1203 3.931,1204 3.938,1205 3.98,1206 3.857,1207 3.862,1208 4.736,1209 3.855,1210 3.821,1211 3.868,1212 3.706,1213 3.72,1214 4.333,1215 3.709,1216 3.557,1217 3.629,1218 3.429,1219 3.383,1220 4.159,1221 3.383,1222 3.331,1223 3.408,1224 3.172,1225 3.174,1226 3.851,1227 3.163,1228 3.143,1229 3.223,1230 2.966,1231 2.997,1232 3.73,1233 2.98,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.674,1239 2.91,1240 3.032,1241 3.11,1242 2.849,1243 2.901,1244 3.62,1245 2.88,1246 0.151,1247 0.115,1248 0.221,1249 0.14,1250 0.104,1251 4.229,1252 0.136,1253 3.206,1254 0.033,1255 6.183,1256 0.33,1257 3.909,1258 0.103,1259 2.925,1260 3.815,1261 0.916,1262 9.226,1263 2.884,1264 1.982,1265 1.949,1266 2.122,1267 2.097,1268 1.489,1269 2.109,1270 1.931,1271 1.895,1272 2.082,1273 2.051,1274 1.35,1275 2.064,1276 1.834,1277 1.784,1278 2.009,1279 1.947,1280 1.159,1281 1.97,1282 1.537,1283 1.467,1284 1.767,1285 1.736,1286 1,1287 1.752,1288 1.339,1289 1.266,1290 1.619,1291 1.536,1292 0.853,1293 1.568,1294 1.161,1295 1.089,1296 1.513,1297 1.376,1298 0.825,1299 1.429,1300 1.153,1301 1.064,1302 1.456,1303 1.365,1304 0.706,1305 1.402,1306 1.065,1307 0.994,1308 1.38,1309 1.259,1310 0.61,1311 1.305,1312 4.043,1314 5.323,1316 6.806,1318 8.374,1320 9.983,1328 12.674,1332 0.921,1333 5.293,1340 32.418,1341 64.726,1342 147.168,1343 206.816,1344 235.836,1345 258.2,1346 272.465,1347 28.901,1348 7.399,1349 6.48,1350 6.48,1351 24,1352 12.167,1353 3.7,1354 2.807,1355 36.327,1356 110,1357 96,1358 0.158,1359 197.845,1360 341.38,1361 474.502,1362 18432,1364 16.899,1365 0.676,1366 0.61,1367 16.899,1368 15.239,1369 12.365,1370 0.442,1371 0.354,1372 9.857,1373 12.159,1374 9.617,1375 7.948,1376 12.365,1377 9.921,1378 10.688,1379 0.289,1380 0.211,1381 10.688,1382 7.789,1383 8.989,1384 0.191,1385 0.128,1386 8.989,1387 6.019,1388 7.354,1389 0.125,1390 0.074,1391 7.354,1392 4.385,1393 6.295,1394 0.083,1395 0.045,1396 6.295,1397 3.419,1398 0.259,1399 75.417,1400 0.225,1401 25.074,1402 0.406,1403 130,1404 235.29,1405 134.163,1406 238.793,1407 337.79,1408 228,1409 149,1410 249.225,1411 154.329,1412 259.682,1413 376.05,1414 245,1415 5.796}
{0 CHEMBL142014,1 1.298,2 12.423,3 3.98,4 15.839,5 107.3,6 6.454,7 0.414,8 4.055,9 4.186,10 3.517,11 3.634,12 4.971,13 3.573,14 4.654,15 4.852,16 3.848,17 4.062,18 5.493,19 3.967,20 4.98,21 5.223,22 3.901,23 4.241,24 5.751,25 4.098,26 5.078,27 5.353,28 3.748,29 4.184,30 5.85,31 4.004,32 4.995,33 5.293,34 3.615,35 4.062,36 5.722,37 3.882,38 4.828,39 5.102,40 3.533,41 4.006,42 5.531,43 3.826,44 4.821,45 5.099,46 3.442,47 3.958,48 5.537,49 3.76,50 4.719,51 5.018,52 3.301,53 3.799,54 5.426,55 3.6,56 0.053,57 0.755,58 12.693,59 5.401,60 6.778,61 7.64,62 0.217,63 1.312,64 23.804,65 9.035,66 16.644,67 13.2,68 0.211,69 1.687,70 32.971,71 12.946,72 22.457,73 18.72,74 0.29,75 1.743,76 36.824,77 13.886,78 38.114,79 20.044,80 0.315,81 1.586,82 34.122,83 12.292,84 39.383,85 18.001,86 0.234,87 1.386,88 28.414,89 11.193,90 22.693,91 16.114,92 0.191,93 1.326,94 28.13,95 11.446,96 26.103,97 16.283,98 0.26,99 1.192,100 25.659,101 9.725,102 29.162,103 14.163,104 2,105 39,106 0.216,107 0.488,108 0.665,109 0.778,110 0.833,111 0.842,112 3.303,113 1.027,114 -5.21,115 -5.1,116 -4.78,121 42.6,123 4,124 1,127 5,144 9,145 3,160 1,176 16,179 1,180 7,187 17,192 8,200 8,206 11,214 5,219 4,227 9,231 1,232 2,239 15,251 13,255 1,256 3,264 8,269 4,277 3,281 984,282 18.068,283 18.068,284 18.068,285 18.068,286 18.068,287 16.498,288 20.169,289 10.91,290 18.265,291 14.338,292 14.338,293 14.338,294 14.338,295 14.338,296 12.016,297 22.93,298 5.221,299 14.631,300 4.456,301 2.825,302 1.762,303 1.086,304 0.755,305 0.704,306 4.009,310 1,311 1,312 1,313 715,314 2.55,318 322.588,322 124.801,325 2.006,326 14.333,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 54,338 323,339 4.403,340 3.73,341 6.626,342 4.098,343 3.108,344 3.971,345 1.2,346 10.497,347 3.076,348 3.941,349 3.018,350 5.678,351 3.69,352 2.727,353 3.457,354 0.916,355 7.797,356 2.635,357 3.664,358 2.74,359 5.611,360 3.485,361 2.492,362 2.869,363 0.293,364 7.478,365 2.476,366 3.566,367 2.573,368 5.324,369 3.309,370 2.342,371 2.629,372 0.172,373 6.898,374 2.258,375 3.178,376 2.363,377 4.954,378 3.018,379 2.061,380 2.248,382 5.859,383 1.963,384 2.992,385 2.158,386 4.715,387 2.752,388 1.756,389 2.12,391 4.88,392 1.739,393 2.866,394 1.61,395 3.691,396 2.443,397 1.446,398 1.991,400 3.09,401 1.44,402 2.809,403 1.516,404 3.594,405 2.408,406 1.414,407 1.897,409 3.037,410 1.405,411 2.5,412 1.315,413 3.512,414 2,415 1,416 1.5,418 2.275,419 1,420 2.382,421 1.077,422 3.414,423 1.984,424 1,425 1.242,427 2.136,428 0.983,429 2,430 1,431 3.286,432 1.911,433 0.889,434 1,436 2.127,437 0.903,438 1.898,439 0.906,440 3.247,441 1.81,442 0.827,443 0.866,445 1.912,446 0.811,447 1.407,448 0.563,449 2.876,450 1.202,451 0.207,452 0.232,454 0.509,455 0.204,456 1.153,457 0.283,458 2.645,459 0.924,460 -0.078,461 -0.091,463 -0.191,464 -0.078,465 0.83,466 -0.215,467 2.341,468 0.555,469 -0.44,470 -0.519,472 -1.06,473 -0.436,474 12.633,475 0.486,476 0.465,477 0.018,478 29.75,479 1.144,480 13.5,481 0.519,482 16.25,483 0.625,484 23.834,485 0.917,486 28.167,487 0.522,488 18.777,489 0.722,490 5.565,491 0.214,492 7.228,493 0.278,494 0.026,496 0.261,501 0.703,502 1.335,503 0.913,504 1.13,505 0.511,506 1.051,507 0.991,508 1.094,509 1.073,510 1.022,511 0.563,512 1.036,513 0.915,514 1.129,515 1.047,516 1.11,517 0.705,518 1.087,519 1.265,520 1.092,521 1.058,522 1.065,523 1.339,524 1.052,525 1.405,526 0.84,527 0.974,528 0.821,529 1.376,530 0.856,531 0.954,532 0.901,533 1.056,534 0.997,535 0.915,536 1.026,537 0.962,538 1.04,539 1.023,540 1.076,541 1.243,542 1.066,543 1.018,544 0.863,545 0.953,546 0.876,547 1.162,548 0.908,549 4,550 0.107,551 2.444,552 1.188,553 1.28,554 0.451,555 0.341,556 0.313,557 0.131,558 0.082,559 9635,560 19026,561 2.172,562 51.9,563 1,564 19,569 8,572 1.682,573 2.108,574 3.584,575 -0.874,577 1,582 70.116,583 1.298,584 2.93,585 3.993,586 4.669,587 5,588 5.051,589 3.075,590 3.921,591 4.673,592 3.758,593 1221.19,594 8.051,595 15997.3,597 1,599 1,600 310.764,601 1.058,602 4.663,603 0.138,604 0.007,605 0.063,606 0.03,607 0.041,608 0.016,609 0.013,610 0.014,611 0.007,612 0.005,613 0.333,614 0.5,615 1,616 0.362,617 130.272,618 0.051,619 -0.151,620 0.074,621 -0.031,622 0.036,623 0.012,624 0.014,625 0.053,626 -0.068,627 -0.013,628 0.03,629 -0.039,630 -0.015,631 -0.1,632 -0.066,633 -0.115,634 0.045,635 -0.095,636 -0.047,637 -0.138,638 -0.063,639 -0.105,640 -0.022,641 -0.09,642 -0.111,643 0.11,644 0.03,645 0.109,646 -0.08,647 0.085,648 -0.038,649 0.077,650 -0.081,651 -0.021,652 -0.066,653 -0.048,654 -0.023,655 -0.12,656 -0.055,657 -0.086,658 -0.087,659 -0.078,660 0.048,661 0.066,662 0.03,663 0.073,664 -0.055,665 0.051,666 1.437,667 5.662,668 0.846,669 25.988,670 0.982,671 1.122,672 3.983,673 15.863,674 0.655,675 3.401,676 3.689,677 3.951,678 4.174,679 4.407,680 4.357,681 4.443,682 4.554,683 4.644,684 4.615,685 7.228,686 0.604,687 348.53,688 3.401,689 4.92,690 5.759,691 6.613,692 7.465,693 8.323,694 9.179,695 10.041,696 10.899,697 11.762,698 3.7,701 1,705 1,715 9,720 3,722 12,730 1,741 54,743 13,744 2,745 29,747 57,748 23,749 12,750 3,751 9,752 1,756 4,757 5,767 3,768 1,770 4,772 13,773 10,774 1,777 1,782 1,786 1,790 1,793 28,794 3,796 3,802 2,808 0.75,809 1,829 4,833 1,855 1,859 3,868 26,876 9,880 1,881 2,893 1.9,896 1,901 12.333,902 9.4,903 5.75,904 3.578,907 2.09,908 1.279,909 0.992,910 5.475,911 9.574,912 3.611,913 4.094,914 4.58,915 5.027,916 5.463,917 5.363,918 5.568,919 5.732,920 5.894,921 5.849,922 1,923 39,924 9.701,926 4.116,927 0.026,929 7.442,931 19.469,933 16.671,936 1.942,937 50.5,939 1,940 1,941 329.591,942 120.214,943 6.249,945 25.145,948 120.214,949 354.736,950 6.249,952 23.791,953 85.286,954 29.85,955 12.681,957 329.591,959 329.591,960 126.463,961 25.145,964 235.422,965 119.314,968 26.915,969 99.548,972 329.591,973 31.394,974 120.214,977 329.591,978 34.928,979 91.535,981 25.145,982 329.591,983 31.394,984 120.214,986 0.572,987 0.334,988 0.18,989 0.099,990 19,991 7,992 0.088,993 5,994 1,995 1.091,996 4.027,997 211.279,998 0.091,999 22,1000 112.211,1005 17.453,1006 8.157,1007 4.249,1009 31.394,1010 18.826,1015 3.53,1018 481.199,1019 36,1024 12.662,1028 0.23,1031 53.018,1032 60.604,1034 0.226,1035 0.509,1036 0.694,1037 0.811,1038 0.869,1039 0.878,1040 4.836,1041 1.414,1042 5.707,1043 3.09,1044 4.369,1045 4.779,1046 1.683,1047 6.463,1048 4.332,1049 5.973,1050 1,1051 7.226,1052 3.037,1053 3.761,1054 4.27,1055 0.57,1056 7.244,1057 3.695,1058 7.231,1059 1,1060 8.846,1061 2.275,1062 5.905,1063 6.776,1064 1.703,1065 10.339,1066 5.827,1067 8.519,1068 0.889,1069 10.529,1070 2.136,1071 6.155,1072 7.122,1073 0.877,1074 11.99,1075 6.057,1076 9.844,1077 0.827,1078 12.254,1079 2.127,1080 7.714,1081 9.084,1082 1.856,1083 14.59,1084 7.602,1085 11.194,1086 0.207,1087 14.008,1088 1.912,1089 8.385,1090 9.866,1091 1.159,1092 16.618,1093 8.263,1094 12.565,1095 -0.078,1096 15.785,1097 0.509,1098 9.687,1099 11.569,1100 2.065,1101 19.054,1102 9.55,1103 3.108,1104 -0.44,1105 17.58,1106 -0.191,1107 10.577,1108 12.593,1109 1.472,1110 21.255,1111 10.434,1112 2.727,1113 10.497,1114 19.388,1115 -1.06,1116 11.764,1117 14.156,1118 2.309,1119 23.635,1120 11.608,1121 2.492,1122 7.797,1123 21.208,1124 3.971,1125 12.767,1126 15.32,1127 1.815,1128 25.916,1129 12.606,1130 2.342,1131 7.478,1132 23.039,1133 3.457,1134 13.907,1135 16.803,1136 2.579,1137 28.276,1138 13.735,1139 2.061,1140 6.898,1141 24.878,1142 2.869,1143 14.968,1144 18.051,1145 2.18,1146 30.594,1147 14.79,1148 1.756,1149 5.859,1150 26.725,1151 2.629,1152 16.091,1153 19.487,1154 2.868,1155 32.948,1156 15.904,1157 1.446,1158 4.88,1159 28.578,1160 2.248,1161 17.182,1162 20.784,1163 2.556,1164 35.283,1165 16.988,1166 8912,1167 12615,1168 20.167,1169 35.364,1170 42.934,1171 43.757,1172 43.128,1173 42.579,1174 42.538,1175 52.042,1176 5.163,1177 116.99,1178 41.787,1179 5.403,1180 5.73,1181 6.428,1182 5.135,1183 5.108,1184 6.971,1185 2.293,1186 17.692,1187 5.076,1188 6.398,1189 1.48,1190 1.509,1191 1.487,1192 1.468,1193 1.467,1194 1.795,1195 0.178,1196 4.034,1197 1.441,1198 4.021,1199 4.059,1200 3.955,1201 3.934,1202 7.428,1203 3.934,1204 3.939,1205 3.979,1206 3.859,1207 3.862,1208 4.76,1209 3.856,1210 3.821,1211 3.868,1212 3.706,1213 3.72,1214 4.71,1215 3.709,1216 3.56,1217 3.627,1218 3.448,1219 3.382,1220 4.328,1221 3.387,1222 3.332,1223 3.407,1224 3.179,1225 3.174,1226 4.099,1227 3.164,1228 3.16,1229 3.219,1230 3.037,1231 2.995,1232 3.847,1233 2.993,1234 3.111,1235 3.206,1236 2.895,1237 2.941,1238 3.688,1239 2.91,1240 3.055,1241 3.1,1242 2.866,1243 2.898,1244 3.674,1245 2.895,1246 0.152,1247 0.129,1248 0.228,1249 0.141,1250 0.107,1251 4.403,1252 0.137,1253 3.73,1254 0.041,1255 6.626,1256 0.362,1257 4.098,1258 0.106,1259 3.108,1260 3.971,1261 1.2,1262 10.497,1263 3.076,1264 1.974,1265 1.947,1266 2.11,1267 2.092,1268 1.486,1269 2.1,1270 1.931,1271 1.895,1272 2.071,1273 2.049,1274 1.298,1275 2.059,1276 1.834,1277 1.784,1278 2.009,1279 1.947,1280 1.159,1281 1.97,1282 1.533,1283 1.466,1284 1.761,1285 1.735,1286 1,1287 1.748,1288 1.339,1289 1.266,1290 1.619,1291 1.536,1292 0.847,1293 1.568,1294 1.153,1295 1.084,1296 1.513,1297 1.376,1298 0.825,1299 1.429,1300 1.148,1301 1.064,1302 1.438,1303 1.357,1304 0.673,1305 1.386,1306 1.023,1307 0.985,1308 1.229,1309 1.236,1310 0.417,1311 1.231,1312 4.078,1314 5.371,1316 6.872,1318 8.464,1320 10.102,1328 9.863,1332 0.756,1333 4.632,1340 32.606,1341 70.116,1342 158.24,1343 215.605,1344 252.135,1345 270.009,1346 272.764,1347 37.991,1348 7.484,1349 23.55,1350 23.55,1351 24,1352 12.311,1353 3.807,1354 3,1355 38.424,1356 115,1357 104,1358 0.162,1359 198.914,1360 347.53,1361 477.11,1362 20235,1364 17.769,1365 0.683,1366 0.594,1367 17.769,1368 15.44,1369 12.793,1370 0.441,1371 0.342,1372 9.854,1373 12.526,1374 9.637,1375 7.952,1376 12.793,1377 9.929,1378 11.109,1379 0.285,1380 0.197,1381 11.109,1382 7.693,1383 9.598,1384 0.188,1385 0.117,1386 9.598,1387 5.949,1388 7.835,1389 0.122,1390 0.067,1391 7.835,1392 4.301,1393 6.491,1394 0.08,1395 0.04,1396 6.491,1397 3.267,1398 0.263,1399 78.522,1400 0.223,1401 25.773,1402 0.42,1403 136,1404 295.026,1405 142.71,1406 292.161,1407 404.87,1408 276,1409 158,1410 295.566,1411 165.821,1412 303.729,1413 443.55,1414 287,1415 6}
{0 CHEMBL142491,1 1.378,2 7.571,3 4.042,4 16.335,5 83.85,6 7.06,7 0.458,8 3.787,9 3.913,10 3.322,11 3.406,12 4.812,13 3.36,14 4.369,15 4.541,16 3.742,17 3.868,18 5.324,19 3.798,20 4.706,21 4.92,22 3.892,23 4.059,24 5.659,25 3.968,26 4.78,27 5.018,28 3.852,29 4.019,30 5.847,31 3.91,32 4.745,33 5.006,34 3.559,35 3.917,36 5.659,37 3.775,38 4.64,39 4.933,40 3.36,41 3.75,42 5.444,43 3.574,44 4.401,45 4.687,46 3.039,47 3.439,48 5.388,49 3.277,50 4.015,51 4.325,52 2.555,53 3.011,54 4.913,55 2.82,56 0.033,57 0.638,58 8.636,59 3.987,60 6.811,61 5.3,62 0.052,63 1.092,64 16.304,65 7.381,66 11.703,67 9.967,68 0.137,69 1.494,70 24.203,71 9.868,72 23.75,73 13.504,74 0.34,75 1.616,76 27.065,77 10.137,78 56.031,79 14.223,80 0.289,81 1.468,82 26.794,83 9.431,84 46.819,85 13.185,86 0.166,87 1.24,88 24.47,89 9.655,90 28.994,91 13.518,92 0.259,93 1.075,94 20.053,95 7.126,96 46.185,97 9.315,98 0.138,99 0.666,100 13.477,101 4.756,102 24.126,103 6.653,104 11,105 36,106 0.245,107 0.636,108 0.808,109 0.88,110 0.88,111 0.88,112 3.106,113 0.966,114 -4.99,115 -4.89,116 -4.59,121 45,122 1,123 4,124 2,137 1,138 1,144 3,145 2,146 2,148 2,165 1,166 1,167 1,176 12,180 4,185 2,187 18,189 2,192 3,197 1,200 13,203 1,206 4,208 1,209 1,211 5,214 13,216 5,219 1,224 3,227 10,229 3,232 1,237 2,239 10,241 2,244 1,249 1,251 7,253 1,264 4,277 3,281 451,282 14.334,283 14.334,284 14.334,285 14.334,286 14.334,287 12.742,288 14.72,289 8.13,290 14.45,291 11.8,292 11.8,293 11.8,294 11.8,295 11.8,296 9.294,297 14.565,298 3.797,299 12.029,300 3.944,301 1.74,302 0.775,303 0.369,304 0.369,305 0.369,306 3.805,310 1,311 1,312 1,313 353,314 2.345,318 130.396,320 43.219,322 106.544,324 63.569,325 1.17,326 21.726,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 44.5,338 159,339 4.716,340 3.526,341 7.014,342 4.315,343 3.332,344 4.65,345 0.68,346 11.94,347 3.274,348 4.182,349 3.174,350 6.42,351 3.886,352 2.9,353 3.634,355 9.838,356 2.857,357 3.826,358 2.838,359 5.603,360 3.442,361 2.454,362 3.136,364 7.603,365 2.424,366 3.553,367 2.497,368 5.401,369 3.203,370 2.228,371 2.966,373 6.886,374 2.176,375 3.216,376 2.316,377 5.026,378 2.955,379 1.989,380 2.417,382 5.841,383 1.911,384 3.002,385 2.016,386 4.888,387 2.753,388 1.764,389 2.083,391 5.244,392 1.743,393 2.936,394 1.901,395 4.773,396 2.647,397 1.684,398 1.982,400 4.818,401 1.608,402 2.583,403 1.265,404 3.836,405 2.168,406 1.19,407 1.604,409 2.809,410 1.158,411 1.585,412 0.664,413 3.29,414 1.436,415 0.436,416 0.461,418 0.641,419 0.436,420 1.393,421 0.571,422 3.027,423 1.174,424 0.192,425 0.22,427 0.578,428 0.187,429 1.342,430 0.288,431 2.82,432 0.95,438 0.993,439 0.103,440 2.656,441 0.642,442 -0.268,443 -0.322,445 -0.642,446 -0.236,447 0.812,448 -0.431,449 2.441,450 0.478,451 -0.497,452 -0.59,454 -1.347,455 -0.484,456 0.347,457 -0.547,458 2.335,459 0.227,460 -0.763,461 -0.856,463 -1.938,464 -0.756,465 0.325,466 -0.666,467 2,468 0.072,469 -0.916,470 -1.055,472 -2.662,473 -0.903,474 10.086,475 0.48,476 0.589,477 0.028,478 24.5,479 1.167,480 11.5,481 0.548,482 13,483 0.619,484 19.635,485 0.935,486 22.314,487 0.558,488 15.213,489 0.724,490 4.207,491 0.2,492 5.962,493 0.284,494 0.118,496 0.446,499 1,501 0.619,502 0.915,503 0.81,504 0.928,505 0.623,506 0.899,507 0.53,508 1.002,509 0.782,510 1.02,511 0.485,512 0.957,513 0.784,514 1.078,515 0.902,516 1.052,517 0.736,518 1.006,519 0.749,520 1.03,521 0.948,522 1.074,523 0.717,524 1.048,525 1.187,526 0.934,527 1.213,528 0.997,529 1.133,530 1.073,531 0.693,532 0.936,533 0.862,534 0.989,535 0.751,536 0.963,537 1.808,538 1.123,539 1.247,540 0.979,541 1.884,542 1.023,543 1.13,544 0.921,545 1.037,546 0.921,547 1.116,548 0.951,549 4.5,550 0.012,551 2,552 2.438,553 1.622,554 1,555 0.344,556 0.24,557 0.103,558 0.026,559 3938,560 8594,561 2.155,562 47.5,563 11,564 4,567 2,568 2,572 1.638,573 2,574 2.905,575 0.237,577 1,582 55.108,583 1.378,584 3.582,585 4.546,586 4.953,587 4.953,588 4.953,589 2.416,590 4.202,591 4.366,592 2.977,593 625.088,594 7.511,595 6189.47,597 1,598 1,599 1,600 212.877,601 1.449,602 4.318,603 0.188,604 0.012,605 0.056,606 0.061,607 0.045,608 0.038,609 0.016,610 0.017,611 0.013,612 0.006,613 0.453,614 0.83,615 1,616 0.819,617 91.242,618 -0.042,619 0.084,620 0.04,621 0.106,622 -0.045,623 0.092,624 0.037,625 -0.069,626 0.094,627 0.008,628 0.06,629 0.047,630 -0.001,631 -0.125,632 0.026,633 -0.063,634 0.008,635 -0.025,636 0.19,637 -0.062,638 0.017,639 -0.118,640 0.19,641 -0.09,642 -0.174,643 0.034,644 -0.23,645 -0.066,646 -0.149,647 -0.133,648 0.055,649 -0.097,650 0.109,651 -0.011,652 0.017,653 0.042,654 -0.203,655 0.047,656 -0.176,657 -0.011,658 -0.217,659 -0.071,660 -0.061,661 0.002,662 -0.012,663 0.018,664 -0.051,665 0.015,666 1.926,667 6.15,668 0.81,669 12.354,670 0.992,671 1.127,672 3.761,673 14.143,674 0.67,675 3.219,676 3.611,677 3.97,678 4.344,679 4.644,680 4.844,681 5.017,682 5.209,683 5.288,684 5.338,685 4.436,686 0.629,687 282.39,688 3.219,689 4.796,690 5.694,691 6.621,692 7.534,693 8.469,694 9.388,695 10.326,696 11.247,697 12.187,698 5,702 1,708 1,714 2,715 3,716 1,720 4,722 11,733 1,740 1,741 40,743 12,744 1,745 24,747 43,748 18,749 9,750 3,751 3,756 4,757 10,763 1,767 3,768 2,770 4,772 11,773 7,774 2,777 1,784 1,786 1,790 1,791 1,793 19,794 3,795 2,796 3,802 2,808 0.25,822 1,829 4,831 1,833 2,835 1,849 1,850 1,859 1,864 1,866 1,868 21,869 1,876 4,880 2,892 1,901 10.5,902 7.426,903 4.5,904 2.74,907 2.762,908 1.365,909 1.038,910 2.867,911 10.325,912 3.45,913 4.119,914 4.773,915 5.421,916 6.022,917 6.448,918 6.874,919 7.325,920 7.71,921 7.899,922 1,923 40,924 7.852,926 3.537,927 0.026,929 7.659,931 15.387,933 13.785,936 2.159,937 45.333,938 0.001,941 200.109,942 82.591,943 49.683,946 14.96,948 82.591,949 200.109,950 64.643,951 8.825,952 10.138,953 70.802,954 16.786,955 25.723,956 14.96,957 200.109,959 200.109,960 132.274,961 14.96,964 215.069,968 23.864,969 82.148,970 26.262,972 215.069,973 49.683,974 82.591,977 200.109,978 35.861,979 46.73,981 64.643,982 200.109,983 64.643,984 82.591,986 0.595,987 0.367,988 0.215,989 0.12,990 21,991 9,992 0.023,993 1,994 4,995 1.412,996 3.214,997 181.711,998 0.471,999 16,1000 92.239,1005 12.972,1006 4.641,1007 1.915,1008 1.188,1009 64.643,1010 5.026,1011 4.722,1015 2.555,1017 32.897,1018 347.343,1019 30.5,1026 2.424,1028 1.509,1031 39.669,1032 45.073,1034 0.259,1035 0.673,1036 0.854,1037 0.931,1038 0.931,1039 0.931,1040 4.734,1041 1.19,1042 5.714,1043 4.818,1044 4.29,1045 4.804,1046 0.655,1047 6.611,1048 4.252,1049 5.969,1050 0.436,1051 7.322,1052 2.809,1053 4.007,1054 4.783,1056 7.639,1057 3.94,1058 7.312,1059 0.192,1060 9.027,1061 0.641,1062 5.964,1063 7.093,1064 0.356,1065 10.807,1066 5.894,1067 8.689,1069 10.789,1070 0.578,1071 6.463,1072 7.892,1074 12.655,1075 6.366,1076 10.098,1077 -0.268,1078 12.588,1080 7.928,1081 9.72,1082 0.18,1083 15.361,1084 7.828,1085 11.531,1086 -0.497,1087 14.414,1088 -0.642,1089 8.8,1090 10.913,1092 17.567,1093 8.675,1094 12.983,1095 -0.763,1096 16.259,1097 -1.347,1098 10.079,1099 12.556,1100 0.087,1101 20.114,1102 9.945,1103 3.332,1104 -0.916,1105 18.122,1106 -1.938,1107 11.126,1108 13.935,1110 22.473,1111 10.97,1112 2.9,1113 11.94,1114 19.997,1115 -2.662,1116 12.338,1117 15.506,1118 0.041,1119 24.965,1120 12.169,1121 2.454,1122 9.838,1123 21.884,1124 4.65,1125 13.464,1126 16.971,1128 27.388,1129 13.274,1130 2.228,1131 7.603,1132 23.78,1133 3.634,1134 14.655,1135 18.517,1136 0.019,1137 29.864,1138 14.45,1139 1.989,1140 6.886,1141 25.683,1142 3.136,1143 15.816,1144 20.02,1146 32.315,1147 15.592,1148 1.764,1149 5.841,1150 27.592,1151 2.966,1152 17.003,1153 21.557,1154 0.009,1155 34.787,1156 16.763,1157 1.684,1158 5.244,1159 29.507,1160 2.417,1161 18.181,1162 23.078,1164 37.251,1165 17.922,1166 3760,1167 5673,1168 16.126,1169 26.802,1170 36.709,1171 37.242,1172 38.555,1173 36.458,1174 36.337,1175 46.303,1176 1.36,1177 112.394,1178 35.549,1179 5.67,1180 5.526,1181 6.55,1182 5.357,1183 5.332,1184 7.65,1185 1.36,1186 19.541,1187 5.274,1188 9.374,1189 1.53,1190 1.552,1191 1.606,1192 1.519,1193 1.514,1194 1.929,1195 0.057,1196 4.683,1197 1.481,1198 4.139,1199 4.167,1200 4.103,1201 4.067,1202 8.201,1203 4.071,1204 3.883,1205 3.919,1206 3.804,1207 3.814,1208 5.124,1209 3.807,1210 3.535,1211 3.594,1212 3.422,1213 3.431,1214 4.755,1215 3.421,1216 3.307,1217 3.379,1218 3.162,1219 3.173,1220 4.475,1221 3.161,1222 3.217,1223 3.293,1224 3.081,1225 3.059,1226 4.233,1227 3.048,1228 3.009,1229 3.085,1230 2.888,1231 2.826,1232 3.922,1233 2.835,1234 2.906,1235 2.994,1236 2.705,1237 2.753,1238 3.617,1239 2.73,1240 2.767,1241 2.869,1242 2.592,1243 2.572,1244 3.521,1245 2.551,1246 0.196,1247 0.147,1248 0.292,1249 0.18,1250 0.139,1251 4.716,1252 0.194,1253 3.526,1254 0.028,1255 7.014,1256 0.497,1257 4.315,1258 0.136,1259 3.332,1260 4.65,1261 0.68,1262 11.94,1263 3.274,1264 2.094,1265 2.07,1266 2.187,1267 2.184,1268 1.539,1269 2.185,1270 1.886,1271 1.855,1272 2.009,1273 1.983,1274 1.175,1275 1.996,1276 1.549,1277 1.495,1278 1.809,1279 1.708,1280 1.034,1281 1.745,1282 1.306,1283 1.248,1284 1.52,1285 1.496,1286 0.85,1287 1.505,1288 1.225,1289 1.152,1290 1.501,1291 1.424,1292 0.619,1293 1.458,1294 0.951,1295 0.891,1296 1.28,1297 1.211,1298 0.502,1299 1.212,1300 0.937,1301 0.856,1302 1.193,1303 1.152,1304 0.275,1305 1.201,1306 0.747,1307 0.669,1308 1.055,1309 1.014,1310 0.121,1311 1.02,1312 3.892,1314 5.263,1316 6.855,1318 8.558,1320 10.318,1322 2.204,1324 14.15,1326 6.364,1328 4.206,1332 0.985,1340 25.167,1341 55.108,1342 143.262,1343 181.858,1344 198.122,1345 198.122,1346 198.122,1347 34.227,1348 7.563,1349 38.91,1350 38.91,1351 24,1352 12.686,1353 3.7,1354 2.907,1355 27.813,1356 57,1357 61,1358 0.258,1359 151.081,1360 260.95,1361 360.399,1362 17746,1363 2.5,1364 14.56,1365 0.693,1366 0.581,1367 13.69,1368 12.195,1369 10.169,1370 0.424,1371 0.322,1372 7.68,1373 9.963,1374 7.483,1375 6.157,1376 9.758,1377 7.73,1378 9.521,1379 0.264,1380 0.175,1381 8.984,1382 6.299,1383 8.496,1384 0.163,1385 0.096,1386 8.097,1387 5.003,1388 7.958,1389 0.105,1390 0.054,1391 7.434,1392 4.087,1393 6.488,1394 0.063,1395 0.03,1396 6.338,1397 3.141,1398 0.38,1399 62.577,1400 0.249,1401 19.95,1402 0.786,1403 120,1404 309.068,1405 126.912,1406 283.693,1407 394.51,1408 266,1409 148,1410 297.995,1411 154.989,1412 299.964,1413 447.98,1414 285,1415 7.53}
{0 CHEMBL142816,1 1.378,2 7.762,3 4.501,4 20.255,5 88.439,6 7.471,7 0.458,8 3.783,9 3.905,10 3.37,11 3.436,12 4.757,13 3.376,14 4.364,15 4.532,16 3.804,17 3.906,18 5.258,19 3.818,20 4.699,21 4.907,22 3.924,23 4.103,24 5.571,25 3.984,26 4.765,27 5.004,28 3.839,29 4.059,30 5.624,31 3.919,32 4.732,33 4.992,34 3.722,35 3.958,36 5.606,37 3.798,38 4.633,39 4.921,40 3.414,41 3.809,42 5.345,43 3.597,44 4.368,45 4.656,46 3.257,47 3.536,48 5.144,49 3.326,50 4.032,51 4.304,52 2.829,53 3.184,54 4.888,55 2.938,56 0.039,57 0.55,58 8.397,59 3.787,60 6.625,61 5.27,62 0.062,63 0.95,64 16.426,65 7.235,66 10.848,67 10.083,68 0.144,69 1.3,70 25.997,71 10.016,72 21.196,73 13.988,74 0.199,75 1.394,76 27.815,77 10.414,78 26.603,79 14.719,80 0.299,81 1.321,82 28.223,83 9.641,84 37.811,85 13.828,86 0.157,87 1.109,88 27.501,89 10.211,90 23.169,91 14.299,92 0.142,93 0.846,94 21.636,95 7.559,96 20.507,97 10.559,98 0.172,99 0.552,100 20.419,101 5.525,102 22.643,103 7.357,104 11,105 36,106 0.245,107 0.636,108 0.808,109 0.88,110 0.88,111 0.88,112 3.106,113 1.013,114 -5.11,115 -5,116 -4.68,121 45,122 1,123 4,124 2,137 1,138 1,144 3,145 2,146 2,148 2,165 1,166 1,167 1,176 12,180 4,185 2,187 19,189 2,192 4,197 2,200 17,203 2,206 3,208 1,209 1,211 4,214 13,216 4,219 2,224 4,227 13,229 4,232 1,237 2,239 10,241 2,244 1,249 1,251 10,253 1,264 5,277 4,281 458,282 14.282,283 14.282,284 14.282,285 14.282,286 14.282,287 12.709,288 14.693,289 8.096,290 14.483,291 11.81,292 11.81,293 11.81,294 11.81,295 11.81,296 9.314,297 13.257,298 3.82,299 12.201,300 3.944,301 1.74,302 0.775,303 0.369,304 0.369,305 0.369,306 3.805,308 1,311 1,312 1,313 362,314 2.345,318 132.107,320 44.061,322 107.795,324 64.71,325 1.202,326 14.276,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 43.333,338 163,339 4.675,340 3.497,341 6.941,342 4.289,343 3.304,344 4.587,345 0.68,346 11.695,347 3.255,348 4.15,349 3.08,350 6.239,351 3.835,352 2.848,353 3.614,355 9.32,356 2.809,357 3.83,358 2.866,359 5.591,360 3.43,361 2.452,362 3.15,364 7.557,365 2.4,366 3.512,367 2.54,368 5.379,369 3.196,370 2.216,371 2.898,373 6.829,374 2.173,375 3.459,376 2.477,377 4.988,378 2.999,379 2.098,380 2.781,382 5.838,383 1.86,384 3.028,385 2.093,386 4.964,387 2.851,388 1.875,389 2.062,391 5.602,392 1.797,393 2.926,394 1.876,395 4.852,396 2.698,397 1.719,398 1.968,400 5.208,401 1.639,402 2.418,403 1.083,404 3.93,405 1.997,406 1.01,407 1.386,409 2.715,410 0.995,411 1.594,412 0.653,413 3.281,414 1.436,415 0.436,416 0.463,418 0.645,419 0.436,420 1.499,421 0.602,422 3.025,423 1.159,424 0.21,425 0.258,427 0.564,428 0.185,429 1.324,430 0.442,431 2.82,432 1.046,433 0.109,434 0.126,436 0.303,437 0.1,438 0.94,439 -0.046,440 2.642,441 0.61,442 -0.325,443 -0.384,445 -0.896,446 -0.268,447 0.644,448 -0.474,449 2.438,450 0.264,451 -0.705,452 -0.754,454 -1.754,455 -0.59,456 0.417,457 -0.563,458 2.342,459 0.177,460 -0.767,461 -0.977,463 -2.219,464 -0.742,465 0.325,466 -0.666,467 2,468 0.096,469 -0.884,470 -1.062,472 -2.55,473 -0.858,474 10.514,475 0.501,476 0.606,477 0.029,478 24.5,479 1.167,480 11.5,481 0.548,482 13,483 0.619,484 20.34,485 0.969,486 21.886,487 0.547,488 14.289,489 0.68,490 4.061,491 0.193,492 6.091,493 0.29,494 0.154,496 0.428,501 0.759,502 1,503 0.66,504 0.837,505 0.92,506 0.853,507 0.569,508 1.097,509 0.651,510 0.92,511 0.491,512 0.909,513 0.879,514 1.148,515 0.88,516 1.029,517 0.81,518 1.013,519 0.87,520 1.153,521 0.815,522 1.018,523 0.917,524 1.031,525 0.978,526 0.985,527 0.836,528 0.957,529 1.103,530 1.018,531 0.696,532 0.938,533 0.863,534 0.97,535 0.785,536 0.974,537 0.968,538 0.903,539 0.924,540 0.907,541 1.012,542 0.938,543 2.195,544 0.791,545 2.037,546 1.203,547 2.055,548 1.161,549 5,550 0.012,551 2,552 2.063,553 1.742,554 0.799,555 0.486,556 0.174,557 0.14,558 0.061,559 4006,560 8946,561 2.155,562 47.5,563 11,564 4,567 2,568 2,572 1.637,573 2,574 2.953,575 0.237,582 55.108,583 1.378,584 3.582,585 4.546,586 4.953,587 4.953,588 4.953,589 2.439,590 4.297,591 4.364,592 3.018,593 633.697,594 7.504,595 6288.7,597 1,600 212.877,601 1.449,602 4.318,603 0.208,604 0.006,605 0.056,606 0.053,607 0.051,608 0.03,609 0.024,610 0.012,611 0.017,612 0.012,613 0.469,614 0.83,615 1,616 0.819,617 91.576,618 -0.062,619 0.12,620 0.021,621 0.097,622 -0.095,623 0.086,624 0.06,625 -0.057,626 0.079,627 0.036,628 0.135,629 0.057,630 -0.028,631 -0.127,632 -0.039,633 -0.077,634 0.007,635 -0.054,636 0.026,637 -0.127,638 -0.023,639 -0.091,640 0.032,641 -0.085,642 0.039,643 0.052,644 -0.018,645 -0.041,646 0.025,647 -0.082,648 0.04,649 -0.038,650 0.048,651 0.019,652 0.006,653 0.03,654 -0.004,655 0.02,656 0.083,657 0.079,658 -0.026,659 0.052,660 -0.392,661 0.106,662 -0.359,663 -0.137,664 -0.449,665 -0.16,666 0.942,667 2.513,668 0.81,669 12.735,670 0.987,671 1.117,672 3.876,673 15.025,674 0.693,675 3.219,676 3.611,677 3.951,678 4.317,679 4.654,680 4.828,681 5.024,682 5.187,683 5.318,684 5.298,685 4.53,686 0.64,687 298.84,688 3.219,689 4.796,690 5.687,691 6.611,692 7.52,693 8.45,694 9.367,695 10.299,696 11.219,697 12.152,698 5,702 1,708 1,714 2,715 3,716 1,720 4,722 11,733 1,740 1,741 40,743 12,744 1,745 24,747 43,748 18,749 9,750 3,751 3,756 4,757 10,758 1,763 1,767 3,768 2,770 4,772 11,773 7,774 2,777 1,784 1,786 1,790 1,793 19,794 2,795 2,796 3,797 1,802 2,808 0.25,822 1,829 4,831 1,833 2,835 1,849 1,850 1,859 1,864 1,865 1,868 21,869 1,876 4,880 2,892 1,901 10.5,902 7.426,903 4.472,904 2.733,907 2.75,908 1.364,909 1.033,910 3.055,911 10.313,912 3.45,913 4.119,914 4.754,915 5.396,916 6.035,917 6.441,918 6.89,919 7.323,920 7.745,921 7.852,922 1,923 39,924 7.796,926 3.442,927 0.026,929 7.474,931 15.526,933 13.889,936 1.974,937 41.444,938 0.001,940 1,941 200.109,942 76.971,943 49.683,944 39.149,948 76.971,949 239.257,950 49.683,951 8.825,952 10.138,953 70.802,954 16.786,955 20.102,957 200.109,958 39.149,959 200.109,960 126.653,962 39.149,964 200.109,968 23.864,969 76.527,970 65.41,972 200.109,973 49.683,974 116.119,977 200.109,978 30.24,979 46.73,981 88.831,982 200.109,983 49.683,984 116.119,986 0.596,987 0.359,988 0.207,989 0.124,990 21,991 9,992 0.023,993 1,994 4,995 1.412,996 3.235,997 180.507,998 0.471,999 16,1000 92.239,1005 13.298,1006 4.825,1007 2.09,1008 1.975,1009 49.683,1010 5.818,1011 4.883,1015 4.121,1017 32.897,1018 365.911,1019 30.5,1026 2.476,1028 1.576,1031 39.48,1032 44.677,1034 0.259,1035 0.673,1036 0.854,1037 0.931,1038 0.931,1039 0.931,1040 4.734,1041 1.01,1042 5.707,1043 5.208,1044 4.29,1045 4.804,1046 0.655,1047 6.589,1048 4.234,1049 5.969,1050 0.436,1051 7.306,1052 2.715,1053 4.007,1054 4.783,1056 7.573,1057 3.904,1058 7.31,1059 0.21,1060 8.999,1061 0.645,1062 5.953,1063 7.082,1064 0.356,1065 10.727,1066 5.866,1067 8.681,1068 0.109,1069 10.746,1070 0.564,1071 6.431,1072 7.854,1074 12.521,1075 6.314,1076 10.083,1077 -0.325,1078 12.528,1079 0.303,1080 7.892,1081 9.678,1082 0.18,1083 15.218,1084 7.782,1085 11.506,1086 -0.705,1087 14.337,1088 -0.896,1089 8.74,1090 10.837,1092 17.383,1093 8.61,1094 12.947,1095 -0.767,1096 16.165,1097 -1.754,1098 10.014,1099 12.474,1100 0.087,1101 19.919,1102 9.882,1103 3.304,1104 -0.884,1105 18.011,1106 -2.219,1107 11.041,1108 13.825,1110 22.249,1111 10.893,1112 2.848,1113 11.695,1114 19.87,1115 -2.55,1116 12.247,1117 15.387,1118 0.041,1119 24.728,1120 12.091,1121 2.452,1122 9.32,1123 21.741,1124 4.587,1125 13.358,1126 16.829,1128 27.128,1129 13.187,1130 2.216,1131 7.557,1132 23.622,1133 3.614,1134 14.542,1135 18.364,1136 0.019,1137 29.589,1138 14.36,1139 2.098,1140 6.829,1141 25.511,1142 3.15,1143 15.692,1144 19.848,1146 32.02,1147 15.495,1148 1.875,1149 5.838,1150 27.408,1151 2.898,1152 16.872,1153 21.372,1154 0.009,1155 34.475,1156 16.662,1157 1.719,1158 5.602,1159 29.31,1160 2.781,1161 18.041,1162 22.877,1164 36.92,1165 17.816,1166 3821,1167 5828,1168 16.126,1169 27.722,1170 36.872,1171 37.503,1172 38.377,1173 36.696,1174 36.556,1175 46.584,1176 1.36,1177 112.548,1178 35.297,1179 5.629,1180 5.497,1181 6.475,1182 5.332,1183 5.304,1184 7.587,1185 1.36,1186 19.267,1187 5.255,1188 9.518,1189 1.536,1190 1.563,1191 1.599,1192 1.529,1193 1.523,1194 1.941,1195 0.057,1196 4.69,1197 1.471,1198 4.136,1199 4.164,1200 4.136,1201 4.072,1202 5.159,1203 4.073,1204 3.881,1205 3.914,1206 3.869,1207 3.821,1208 4.886,1209 3.81,1210 3.535,1211 3.591,1212 3.59,1213 3.441,1214 4.636,1215 3.429,1216 3.312,1217 3.378,1218 3.267,1219 3.183,1220 4.424,1221 3.169,1222 3.215,1223 3.291,1224 3.127,1225 3.065,1226 4.045,1227 3.052,1228 2.993,1229 3.073,1230 2.95,1231 2.842,1232 3.844,1233 2.833,1234 2.908,1235 2.993,1236 2.802,1237 2.766,1238 3.689,1239 2.742,1240 2.749,1241 2.843,1242 2.635,1243 2.599,1244 3.516,1245 2.573,1246 0.195,1247 0.146,1248 0.289,1249 0.179,1250 0.138,1251 4.675,1252 0.191,1253 3.497,1254 0.028,1255 6.941,1256 0.487,1257 4.289,1258 0.136,1259 3.304,1260 4.587,1261 0.68,1262 11.695,1263 3.255,1264 2.096,1265 2.072,1266 2.188,1267 2.18,1268 1.539,1269 2.184,1270 1.888,1271 1.857,1272 2.004,1273 1.975,1274 1.184,1275 1.993,1276 1.548,1277 1.496,1278 1.805,1279 1.703,1280 1.036,1281 1.742,1282 1.302,1283 1.249,1284 1.519,1285 1.484,1286 0.85,1287 1.493,1288 1.225,1289 1.153,1290 1.477,1291 1.421,1292 0.612,1293 1.457,1294 0.965,1295 0.904,1296 1.278,1297 1.199,1298 0.502,1299 1.21,1300 0.935,1301 0.857,1302 1.205,1303 1.15,1304 0.287,1305 1.198,1306 0.744,1307 0.673,1308 1.069,1309 0.994,1310 0.145,1311 1.032,1312 3.892,1314 5.263,1316 6.849,1318 8.543,1320 10.294,1322 2.246,1323 6.132,1326 6.513,1328 4.527,1332 1.178,1340 25.612,1341 55.108,1342 143.262,1343 181.858,1344 198.122,1345 198.122,1346 198.122,1347 27.881,1348 7.563,1349 38.91,1350 38.91,1351 24,1352 12.655,1353 3.7,1354 2.907,1355 27.849,1356 58,1357 61,1358 0.253,1359 158.216,1360 270.09,1361 377.807,1362 17752,1363 2.5,1364 14.56,1365 0.693,1366 0.617,1367 15.06,1368 12.951,1369 10.152,1370 0.423,1371 0.338,1372 7.73,1373 9.749,1374 7.475,1375 6.148,1376 10.441,1377 8.102,1378 9.618,1379 0.267,1380 0.188,1381 10.026,1382 6.763,1383 8.439,1384 0.165,1385 0.102,1386 8.701,1387 5.226,1388 7.637,1389 0.103,1390 0.057,1391 7.856,1392 4.218,1393 6.724,1394 0.065,1395 0.032,1396 7.034,1397 3.345,1398 0.374,1399 64.786,1400 0.249,1401 20.033,1402 0.763,1403 120,1404 249.161,1405 138.6,1406 283.83,1407 393.89,1408 266,1409 147,1410 280.525,1411 160.256,1412 299.1,1413 444.33,1414 284,1415 6.372}
{0 CHEMBL143055,1 1.284,2 26.037,3 9.705,4 94.195,5 228.613,6 5.692,7 0.218,8 4.893,9 5.043,10 4.198,11 4.356,12 5.774,13 4.276,14 5.505,15 5.744,16 4.46,17 4.727,18 6.272,19 4.604,20 5.787,21 6.058,22 4.575,23 4.921,24 6.521,25 4.773,26 5.922,27 6.191,28 4.604,29 5.023,30 6.702,31 4.851,32 6.024,33 6.312,34 4.555,35 5.076,36 6.757,37 4.878,38 6.054,39 6.36,40 4.509,41 5.078,42 6.704,43 4.862,44 6.026,45 6.33,46 4.429,47 5.05,48 6.677,49 4.818,50 6.003,51 6.327,52 4.37,53 4.982,54 6.605,55 4.741,56 0.156,57 1.765,58 33.319,59 13.113,60 20.53,61 19.16,62 0.589,63 2.754,64 58.146,65 19.99,66 44.381,67 30.476,68 0.659,69 3.393,70 74.583,71 25.64,72 58.111,73 39.036,74 0.869,75 3.728,76 84.724,77 30.053,78 91.145,79 44.751,80 0.853,81 3.989,82 91.662,83 32.686,84 99.066,85 48.883,86 0.824,87 4.016,88 92.578,89 33.514,90 83.719,91 50.171,92 0.913,93 3.881,94 89.717,95 33.64,96 85.929,97 49.569,98 0.643,99 3.701,100 85.793,101 31.869,102 68.513,103 47.734,104 137,105 68,106 0.18,107 0.379,108 0.603,109 0.71,110 0.743,111 0.743,112 4.009,113 1.168,114 -6.54,115 -6.36,116 -5.9,121 34.8,122 6,123 14,126 2,127 8,129 2,144 8,145 2,146 2,160 2,176 19,179 2,180 20,187 18,192 14,200 9,205 2,206 20,214 18,219 12,227 21,232 8,239 28,243 4,244 6,251 30,256 4,264 20,268 1,269 18,277 18,281 9328,282 36.484,283 36.484,284 36.484,285 36.484,286 36.484,287 34.721,288 46.629,289 22.57,290 37.308,291 26.871,292 26.871,293 26.871,294 26.871,295 26.871,296 24.091,297 56.871,298 10.339,299 27.888,300 5.76,301 4.342,302 2.736,303 1.978,304 1.743,305 1.743,306 4.682,313 2856,314 7.071,318 523.789,325 4.335,326 37.732,329 0.5,330 0.5,331 0.5,332 0.8,333 1,334 0.5,335 0.5,336 0.61,337 114,338 1406,339 4.206,340 3.743,341 6.331,342 3.865,343 2.91,344 3.805,345 1.94,346 9.379,347 2.775,348 4.206,349 3.743,350 6.331,351 3.864,352 2.91,353 3.805,354 1.94,355 9.379,356 2.774,357 4.032,358 3.188,359 6.159,360 3.84,361 2.875,362 3.171,363 0.916,364 9.118,365 2.772,366 4.032,367 3.188,368 6.159,369 3.84,370 2.875,371 3.171,372 0.916,373 9.118,374 2.772,375 3.43,376 2.729,377 5.284,378 3.304,379 2.38,380 2.467,381 0.86,382 6.713,383 2.197,384 3.43,385 2.729,386 5.284,387 3.304,388 2.38,389 2.467,390 0.86,391 6.713,392 2.197,393 3.104,394 2.599,395 4.706,396 2.962,397 1.955,398 2.117,399 0.555,400 4.805,401 1.958,402 3.099,403 2.598,404 4.706,405 2.953,406 1.948,407 2.112,408 0.555,409 4.804,410 1.947,411 2.917,412 1.959,413 4.316,414 2.863,415 1.866,416 2.087,417 0.172,418 4.035,419 1.859,420 2.917,421 1.959,422 4.316,423 2.588,424 1.601,425 2.087,426 0.172,427 4.035,428 1.579,429 2.869,430 1.881,431 3.94,432 2.579,433 1.593,434 1.951,436 3.794,437 1.57,438 2.843,439 1.693,440 3.809,441 2.545,442 1.558,443 1.951,445 3.329,446 1.538,447 2.843,448 1.693,449 3.717,450 2.473,451 1.511,452 1.868,454 3.224,455 1.441,456 2.595,457 1.617,458 3.656,459 2.471,460 1.503,461 1.589,463 3.153,464 1.44,465 2.589,466 1.505,467 3.619,468 2.406,469 1.411,470 1.579,472 3.009,473 1.401,474 25.933,475 0.48,476 0.945,477 0.018,478 48,479 0.889,480 16,481 0.296,482 32,483 0.593,484 81.335,485 1.506,486 65.867,487 0.499,488 37.76,489 0.699,490 8.395,491 0.155,492 17.746,493 0.329,494 0.18,496 0.216,501 0.803,502 1.671,503 1.111,504 1.469,505 0.629,506 1.339,507 1.128,508 1.221,509 1.11,510 1.112,511 0.644,512 1.099,513 1.139,514 1.045,515 1.047,516 1.009,517 0.965,518 1.005,519 1.224,520 1.115,521 1.117,522 1.105,523 1.376,524 1.103,525 1.191,526 1.055,527 1.104,528 1.055,529 1.64,530 1.07,531 0.983,532 0.954,533 1.012,534 0.979,535 0.947,536 0.995,537 0.865,538 0.98,539 1.04,540 1.044,541 0.957,542 1.063,543 0.638,544 1.005,545 0.88,546 0.999,547 0.771,548 0.971,549 8.5,550 0.339,551 5.111,552 3.375,553 2.284,554 1.306,555 0.854,556 0.611,557 0.436,558 0.371,559 75723,560 145791,561 1.925,562 59.1,563 16,564 32,568 4,569 26,572 1.862,573 1.8,574 4.56,575 -0.848,582 169.515,583 1.284,584 2.703,585 4.309,586 5.067,587 5.302,588 5.302,589 3.912,590 4.681,591 5.728,592 4.88,593 6983.7,594 10.165,595 188752,600 929.86,601 1.38,602 5.681,603 0.155,604 0.006,605 0.075,606 0.045,607 0.031,608 0.019,609 0.013,610 0.01,611 0.008,612 0.007,613 0.368,614 0.17,615 0.63,616 0.909,617 351.808,618 0.051,619 -0.261,620 0.045,621 -0.129,622 0.013,623 -0.058,624 0.009,625 -0.027,626 -0.013,627 -0.02,628 0.047,629 -0.019,630 -0.062,631 0.057,632 0.003,633 0.018,634 -0.011,635 0.022,636 -0.032,637 -0.06,638 -0.073,639 -0.067,640 -0.025,641 -0.074,642 -0.1,643 -0.046,644 -0.092,645 -0.05,646 -0.135,647 -0.068,648 -0.063,649 0.023,650 -0.036,651 0.002,652 -0.047,653 -0.011,654 0.01,655 -0.012,656 -0.073,657 -0.047,658 -0.042,659 -0.068,660 0.042,661 -0.077,662 0.047,663 -0.03,664 0.005,665 0.003,666 1.364,667 6.111,668 0.222,669 118.453,670 0.98,671 1.138,672 5.306,673 28.156,674 0.606,675 4.025,676 4.234,677 4.407,678 4.511,679 4.543,680 4.466,681 4.407,682 4.369,683 4.357,684 4.369,685 15.456,686 0.549,687 751.28,688 4.025,689 5.509,690 6.301,691 7.116,692 7.922,693 8.741,694 9.553,695 10.374,696 11.187,697 12.01,698 3,701 2,705 2,715 8,720 4,722 12,739 2,741 132,743 14,744 2,745 55,747 133,748 46,749 12,750 4,751 8,756 2,757 2,763 6,770 16,772 14,773 32,777 2,782 2,786 2,793 78,794 8,796 8,802 4,808 1,809 4,829 2,844 2,855 2,859 2,864 8,868 54,876 22,878 2,880 2,881 4,893 3,896 2,898 2,901 30,902 25.3,903 12.917,904 9.242,907 1.438,908 1.186,909 0.898,910 25.526,911 9.147,912 4.159,913 4.522,914 4.879,915 5.208,916 5.504,917 5.353,918 5.363,919 5.371,920 5.352,921 5.313,922 0.941,923 75,924 20.178,926 7.867,927 0.026,929 7.475,931 40.31,933 31.633,936 1.975,937 106.667,941 918.146,942 229.124,943 12.497,945 72.29,948 229.124,949 990.436,950 12.497,951 74.717,952 58.578,953 75.81,954 59.699,955 45.106,957 918.146,959 918.146,960 241.621,961 72.29,964 612.097,965 378.338,968 117.778,969 123.843,972 918.146,973 84.787,974 229.124,977 918.146,978 78.596,979 163.025,981 72.29,982 918.146,983 84.787,984 229.124,986 0.549,987 0.322,988 0.166,989 0.079,990 18,991 12,992 0.233,993 31,995 1,996 6.316,997 483.943,999 12,1000 252.764,1005 47.709,1006 28.892,1007 19.325,1009 84.787,1010 16.507,1015 4.35,1018 1232.06,1019 63,1024 26.223,1028 0.605,1031 129.41,1032 150.193,1034 0.182,1035 0.384,1036 0.612,1037 0.719,1038 0.753,1039 0.753,1040 5.361,1041 1.948,1042 6.229,1043 4.805,1044 4.92,1045 5.209,1046 3.013,1047 6.932,1048 4.85,1049 6.459,1050 1.866,1051 7.729,1052 4.804,1053 4.29,1054 4.745,1055 2.339,1056 7.716,1057 4.157,1058 7.692,1059 1.601,1060 9.337,1061 4.035,1062 6.405,1063 7.093,1064 3.737,1065 10.757,1066 6.251,1067 8.96,1068 1.593,1069 11.014,1070 4.035,1071 6.661,1072 7.509,1073 3.823,1074 12.415,1075 6.427,1076 10.266,1077 1.558,1078 12.736,1079 3.794,1080 8.173,1081 9.333,1082 4.841,1083 14.942,1084 7.927,1085 11.599,1086 1.511,1087 14.488,1088 3.329,1089 8.85,1090 10.163,1091 5.232,1092 16.935,1093 8.527,1094 12.952,1095 1.503,1096 16.261,1097 3.224,1098 10.108,1099 11.77,1100 6.078,1101 19.281,1102 9.769,1103 2.91,1104 1.411,1105 18.049,1106 3.153,1107 10.988,1108 12.809,1109 6.605,1110 21.408,1111 10.582,1112 2.91,1113 9.379,1114 19.849,1115 3.009,1116 12.134,1117 14.306,1118 7.363,1119 23.683,1120 11.705,1121 2.875,1122 9.379,1123 21.656,1124 3.805,1125 13.109,1126 15.46,1127 7.956,1128 25.866,1129 12.623,1130 2.875,1131 9.118,1132 23.469,1133 3.805,1134 14.207,1135 16.895,1136 8.669,1137 28.114,1138 13.691,1139 2.38,1140 9.118,1141 25.287,1142 3.171,1143 15.227,1144 18.116,1145 9.296,1146 30.321,1147 14.66,1148 2.38,1149 6.713,1150 27.108,1151 3.171,1152 16.303,1153 19.513,1154 9.985,1155 32.557,1156 15.702,1157 1.955,1158 6.713,1159 28.932,1160 2.467,1161 17.345,1162 20.776,1163 10.629,1164 34.775,1165 16.696,1166 75282,1167 104678,1168 35.364,1169 80.013,1170 76.831,1171 79.076,1172 80.818,1173 76.495,1174 76.538,1175 87.289,1176 17.779,1177 197.263,1178 74.01,1179 5.199,1180 5.743,1181 6.219,1182 4.89,1183 4.91,1184 6.805,1185 3.348,1186 15.667,1187 4.775,1188 35.487,1189 1.397,1190 1.438,1191 1.469,1192 1.391,1193 1.392,1194 1.587,1195 0.323,1196 3.587,1197 1.346,1198 3.996,1199 4.042,1200 3.912,1201 3.893,1202 7.429,1203 3.892,1204 3.925,1205 3.957,1206 3.861,1207 3.845,1208 7.425,1209 3.844,1210 3.871,1211 3.919,1212 3.767,1213 3.732,1214 4.878,1215 3.729,1216 3.821,1217 3.877,1218 3.718,1219 3.656,1220 4.847,1221 3.658,1222 3.741,1223 3.804,1224 3.587,1225 3.611,1226 4.396,1227 3.595,1228 3.708,1229 3.777,1230 3.565,1231 3.547,1232 4.392,1233 3.541,1234 3.661,1235 3.73,1236 3.517,1237 3.493,1238 4.343,1239 3.489,1240 3.555,1241 3.631,1242 3.386,1243 3.382,1244 4.276,1245 3.374,1246 0.076,1247 0.068,1248 0.115,1249 0.07,1250 0.053,1251 4.206,1252 0.069,1253 3.743,1254 0.035,1255 6.331,1256 0.171,1257 3.865,1258 0.05,1259 2.91,1260 3.805,1261 1.94,1262 9.379,1263 2.775,1264 1.913,1265 1.887,1266 2.063,1267 2.034,1268 1.416,1269 2.043,1270 1.913,1271 1.887,1272 2.049,1273 2.032,1274 1.365,1275 2.04,1276 1.831,1277 1.773,1278 2.044,1279 2.008,1280 1.36,1281 2.022,1282 1.794,1283 1.737,1284 2.001,1285 1.982,1286 1.261,1287 1.988,1288 1.754,1289 1.693,1290 1.984,1291 1.915,1292 1.201,1293 1.942,1294 1.704,1295 1.636,1296 1.947,1297 1.89,1298 1.189,1299 1.912,1300 1.653,1301 1.585,1302 1.911,1303 1.851,1304 1.139,1305 1.874,1306 1.556,1307 1.481,1308 1.836,1309 1.764,1310 1.07,1311 1.793,1312 4.71,1314 5.948,1316 7.366,1318 8.871,1320 10.422,1322 16.445,1328 21.899,1330 11.066,1332 0.479,1333 9.092,1340 72.436,1341 169.515,1342 356.771,1343 568.723,1344 668.801,1345 699.821,1346 699.821,1347 244.162,1348 7.709,1349 65.56,1350 65.56,1351 12,1352 12.591,1353 3.907,1354 3.17,1355 185.561,1356 515,1357 406,1358 0.164,1359 456.974,1360 815.88,1361 1106.78,1362 34390,1364 39.556,1365 0.733,1366 0.662,1367 39.556,1368 35.752,1369 26.141,1370 0.475,1371 0.389,1372 21.191,1373 25.266,1374 20.386,1375 17.239,1376 26.141,1377 21.419,1378 21.191,1379 0.312,1380 0.227,1381 21.191,1382 15.466,1383 16.652,1384 0.206,1385 0.133,1386 16.652,1387 10.733,1388 12.695,1389 0.141,1390 0.081,1391 12.695,1392 7.324,1393 8.737,1394 0.094,1395 0.051,1396 8.737,1397 4.759,1398 0.282,1399 162.531,1400 0.168,1401 48.215,1402 0.396,1403 246,1404 587.523,1405 265.844,1406 558.306,1407 750.02,1408 526,1409 272,1410 526.927,1411 292.291,1412 535.345,1413 765.76,1414 500,1415 7.74}
{0 CHEMBL143094,1 1.209,2 8.045,3 4.809,4 23.123,5 93.716,6 6.358,7 0.44,8 3.9,9 4.035,10 3.352,11 3.518,12 4.828,13 3.449,14 4.49,15 4.685,16 3.77,17 3.982,18 5.305,19 3.888,20 4.79,21 4.999,22 3.916,23 4.197,24 5.617,25 4.078,26 4.934,27 5.185,28 3.887,29 4.201,30 5.755,31 4.058,32 4.919,33 5.182,34 3.633,35 4.119,36 5.736,37 3.947,38 4.862,39 5.173,40 3.435,41 3.982,42 5.482,43 3.767,44 4.589,45 4.862,46 3.141,47 3.764,48 5.334,49 3.549,50 4.525,51 4.875,52 2.759,53 3.502,54 5.08,55 3.235,56 0.056,57 0.643,58 10.95,59 4.681,60 8.437,61 6.684,62 0.092,63 1.105,64 19.835,65 8.561,66 11.835,67 12.249,68 0.145,69 1.485,70 27.035,71 11.1,72 19.191,73 16.098,74 0.213,75 1.666,76 31.429,77 12.25,78 30.123,79 18.024,80 0.268,81 1.643,82 31.404,83 10.899,84 35.85,85 16.531,86 0.147,87 1.403,88 28.774,89 12.102,90 21.482,91 17.545,92 0.139,93 1.122,94 22.09,95 8.793,96 22.825,97 12.884,98 0.129,99 0.958,100 20.582,101 8.239,102 18.511,103 12.106,104 18,105 38,106 0.209,107 0.567,108 0.782,109 0.84,110 0.862,111 0.862,112 3.149,113 1.014,114 -5.07,115 -4.96,116 -4.65,121 43.5,122 3,123 4,124 2,137 1,138 1,144 2,145 4,146 1,148 2,165 1,166 1,167 1,176 16,180 4,185 2,187 23,189 2,192 4,197 2,200 17,203 2,206 6,208 1,209 1,211 6,214 18,216 6,219 1,224 3,227 14,229 3,232 1,237 3,239 17,241 3,244 1,249 1,251 13,253 1,264 10,277 5,281 500,282 14.782,283 14.782,284 14.782,285 14.782,286 14.782,287 13.164,288 17.943,289 8.313,290 14.847,291 12.3,292 12.3,293 12.3,294 12.3,295 12.3,296 9.713,297 18.945,298 3.91,299 12.422,300 4.315,301 2.239,302 0.995,303 0.658,304 0.527,305 0.527,306 3.845,311 1,312 1,313 390,314 2.449,318 140.623,320 47.373,322 113.907,324 68.827,325 1.24,326 12.264,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 45,338 177,339 4.728,340 3.514,341 7.018,342 4.327,343 3.34,344 4.67,345 0.68,346 11.958,347 3.295,348 4.212,349 3.124,350 6.434,351 3.925,352 2.928,353 3.689,355 9.908,356 2.919,357 3.856,358 2.81,359 5.611,360 3.491,361 2.495,362 3.166,364 7.64,365 2.485,366 3.599,367 2.519,368 5.419,369 3.234,370 2.254,371 3.013,373 6.931,374 2.211,375 3.435,376 2.325,377 5.119,378 3.081,379 2.085,380 2.774,382 6.121,383 2.076,384 3.153,385 2.194,386 5.023,387 2.975,388 1.988,389 2.252,391 5.853,392 1.957,393 2.936,394 1.902,395 4.844,396 2.691,397 1.701,398 1.983,400 5.182,401 1.684,402 2.772,403 1.762,404 4.644,405 2.523,406 1.546,407 1.803,409 4.396,410 1.507,411 1.593,412 0.664,413 3.451,414 1.436,415 0.436,416 0.461,418 0.745,419 0.436,420 1.467,421 0.547,422 3.104,423 1.236,424 0.241,425 0.282,427 0.641,428 0.24,429 1.343,430 0.17,431 2.838,432 0.951,438 1.07,439 0.052,440 2.796,441 0.818,442 -0.165,443 -0.197,445 -0.44,446 -0.162,447 0.839,448 -0.166,449 2.638,450 0.534,451 -0.459,452 -0.556,454 -1.201,455 -0.455,456 0.505,457 -0.468,458 2.429,459 0.343,460 -0.65,461 -0.701,463 -1.617,464 -0.645,465 0.326,466 -0.571,467 2.157,468 0.173,469 -0.818,470 -0.927,472 -2.218,473 -0.81,474 10.8,475 0.491,476 0.695,477 0.032,478 24.75,479 1.125,480 11.5,481 0.523,482 13.25,483 0.602,484 23.057,485 1.048,486 23.4,487 0.509,488 14.748,489 0.67,490 4.085,491 0.186,492 6.478,493 0.294,494 0.176,496 0.463,501 1.055,502 1.052,503 0.959,504 0.985,505 1.239,506 0.97,507 0.658,508 1.02,509 0.813,510 0.933,511 0.534,512 0.891,513 1,514 1.206,515 1.036,516 1.119,517 0.979,518 1.086,519 1.008,520 1.202,521 0.984,522 1.079,523 0.884,524 1.039,525 2.288,526 1.024,527 1.372,528 1.058,529 2.164,530 1.144,531 0.53,532 0.881,533 0.82,534 0.897,535 0.566,536 0.879,537 1.292,538 1.133,539 1.281,540 1.212,541 1.454,542 1.24,543 0.858,544 0.652,545 0.816,546 0.735,547 0.801,548 0.766,549 5.5,550 0.029,551 2,552 2.75,553 1.813,554 1.139,555 0.423,556 0.349,557 0.135,558 0.061,559 4423,560 7527,561 2.12,562 52.2,563 17,564 3,567 2,568 2,572 1.651,573 1.941,574 2.966,575 0.169,582 55.606,583 1.209,584 3.285,585 4.528,586 4.866,587 4.996,588 4.996,589 2.495,590 4.152,591 4.431,592 3.053,593 705.32,594 7.643,595 7207.32,597 1,600 254.084,601 1.495,602 4.373,603 0.22,604 0.014,605 0.053,606 0.065,607 0.046,608 0.041,609 0.018,610 0.022,611 0.012,612 0.012,613 0.504,614 0.83,615 1,616 0.853,617 97.51,618 -0.05,619 0.105,620 0.056,621 0.096,622 -0.143,623 0.085,624 0.134,625 0.039,626 0.176,627 0.121,628 0.174,629 0.146,630 0.015,631 -0.145,632 -0.04,633 -0.097,634 -0.059,635 -0.076,636 0.182,637 -0.178,638 0.013,639 -0.103,640 0.236,641 -0.064,642 -0.49,643 0.059,644 -0.346,645 -0.137,646 -0.463,647 -0.216,648 0.125,649 0.014,650 0.131,651 0.079,652 0.155,653 0.101,654 -0.243,655 -0.15,656 -0.305,657 -0.245,658 -0.259,659 -0.272,660 -0.013,661 0.217,662 0.137,663 0.199,664 0.044,665 0.181,666 0.758,667 2.654,668 0.773,669 13.769,670 0.977,671 1.121,672 3.836,673 14.713,674 0.661,675 3.258,676 3.664,677 4.007,678 4.394,679 4.691,680 4.92,681 5.069,682 5.293,683 5.361,684 5.464,685 4.632,686 0.605,687 292.46,688 3.258,689 4.844,690 5.74,691 6.673,692 7.584,693 8.525,694 9.441,695 10.385,696 11.304,697 12.249,698 4.3,702 1,708 1,714 2,715 2,716 1,720 5,722 11,733 1,741 46,743 12,744 1,745 25,747 49,748 20,749 9,750 4,751 2,756 4,757 10,763 3,767 3,768 2,770 4,772 11,773 9,774 2,777 1,784 1,786 1,793 24,794 2,795 2,796 2,802 2,808 0.25,822 1,829 4,831 1,833 2,835 1,849 1,850 1,859 1,864 3,868 22,869 1,876 4,880 2,901 11.333,902 9.2,903 4.667,904 3.149,907 2.755,908 1.359,909 1.019,910 3.126,911 10.418,912 3.481,913 4.167,914 4.81,915 5.474,916 6.082,917 6.547,918 6.947,919 7.43,920 7.791,921 8.029,922 0.833,923 42,924 8.19,926 3.57,927 0.026,929 7.364,931 16.515,933 14.702,936 1.864,937 41,938 0.002,940 1,941 258.964,942 88.015,943 49.683,948 88.015,949 258.964,950 49.683,951 26.476,952 10.138,953 61.326,954 16.786,955 22.973,957 258.964,959 258.964,960 137.698,964 258.964,968 41.515,969 69.922,970 26.262,972 258.964,973 49.683,974 88.015,977 258.964,978 33.111,979 54.904,981 49.683,982 258.964,983 49.683,984 88.015,986 0.599,987 0.363,988 0.214,989 0.119,990 22,991 10,992 0.02,993 1,994 4,995 1.412,996 3.268,997 193.865,998 0.471,999 16,1000 98.107,1005 13.963,1006 4.925,1007 2.128,1008 2.254,1009 49.683,1010 4.396,1011 5.022,1015 6.128,1017 32.897,1018 396.662,1019 31.5,1026 2.503,1028 1.604,1031 44.923,1032 51.564,1034 0.219,1035 0.595,1036 0.82,1037 0.881,1038 0.905,1039 0.905,1040 4.777,1041 1.546,1042 5.771,1043 5.182,1044 4.344,1045 4.852,1046 0.655,1047 6.671,1048 4.323,1049 6.024,1050 0.436,1051 7.382,1052 4.396,1053 4.111,1054 4.89,1056 7.689,1057 4.081,1058 7.374,1059 0.241,1060 9.087,1061 0.745,1062 6.023,1063 7.151,1064 0.356,1065 10.854,1066 5.984,1067 8.754,1069 10.845,1070 0.641,1071 6.538,1072 7.971,1074 12.682,1075 6.488,1076 10.165,1077 -0.165,1078 12.639,1080 7.984,1081 9.777,1082 0.18,1083 15.393,1084 7.924,1085 11.597,1086 -0.459,1087 14.459,1088 -0.44,1089 8.86,1090 10.977,1092 17.59,1093 8.788,1094 13.047,1095 -0.65,1096 16.299,1097 -1.201,1098 10.13,1099 12.611,1100 0.087,1101 20.14,1102 10.048,1103 3.34,1104 -0.818,1105 18.156,1106 -1.617,1107 11.178,1108 13.994,1110 22.495,1111 11.082,1112 2.928,1113 11.958,1114 20.028,1115 -2.218,1116 12.387,1117 15.563,1118 0.041,1119 24.99,1120 12.278,1121 2.495,1122 9.908,1123 21.911,1124 4.67,1125 13.513,1126 17.031,1128 27.412,1129 13.39,1130 2.254,1131 7.64,1132 23.804,1133 3.689,1134 14.703,1135 18.578,1136 0.019,1137 29.889,1138 14.567,1139 2.085,1140 6.931,1141 25.705,1142 3.166,1143 15.865,1144 20.084,1146 32.34,1147 15.714,1148 1.988,1149 6.121,1150 27.613,1151 3.013,1152 17.053,1153 21.624,1154 0.009,1155 34.814,1156 16.888,1157 1.701,1158 5.853,1159 29.526,1160 2.774,1161 18.231,1162 23.148,1164 37.278,1165 18.052,1166 4251,1167 5633,1168 16.531,1169 30.387,1170 38.466,1171 38.594,1172 40.532,1173 38.078,1174 38.029,1175 48.183,1176 1.36,1177 118.746,1178 37.618,1179 5.682,1180 5.514,1181 6.551,1182 5.369,1183 5.34,1184 7.67,1185 1.36,1186 19.563,1187 5.295,1188 11.261,1189 1.539,1190 1.544,1191 1.621,1192 1.523,1193 1.521,1194 1.927,1195 0.054,1196 4.75,1197 1.505,1198 4.149,1199 4.177,1200 4.109,1201 4.086,1202 5.139,1203 4.088,1204 3.898,1205 3.934,1206 3.813,1207 3.838,1208 4.773,1209 3.827,1210 3.564,1211 3.621,1212 3.456,1213 3.466,1214 4.495,1215 3.457,1216 3.366,1217 3.44,1218 3.207,1219 3.233,1220 4.301,1221 3.217,1222 3.267,1223 3.346,1224 3.107,1225 3.113,1226 3.967,1227 3.1,1228 3.181,1229 3.266,1230 2.988,1231 3.037,1232 3.929,1233 3.015,1234 2.973,1235 3.077,1236 2.772,1237 2.812,1238 3.6,1239 2.791,1240 2.906,1241 3.005,1242 2.706,1243 2.659,1244 3.56,1245 2.648,1246 0.189,1247 0.141,1248 0.281,1249 0.173,1250 0.134,1251 4.728,1252 0.187,1253 3.514,1254 0.027,1255 7.018,1256 0.478,1257 4.327,1258 0.132,1259 3.34,1260 4.67,1261 0.68,1262 11.958,1263 3.295,1264 2.109,1265 2.085,1266 2.198,1267 2.19,1268 1.542,1269 2.194,1270 1.913,1271 1.88,1272 2.054,1273 2.002,1274 1.26,1275 2.022,1276 1.575,1277 1.523,1278 1.823,1279 1.728,1280 1.051,1281 1.763,1282 1.381,1283 1.316,1284 1.654,1285 1.569,1286 0.852,1287 1.599,1288 1.281,1289 1.206,1290 1.57,1291 1.488,1292 0.761,1293 1.526,1294 1.209,1295 1.134,1296 1.51,1297 1.414,1298 0.668,1299 1.45,1300 0.988,1301 0.91,1302 1.309,1303 1.244,1304 0.502,1305 1.266,1306 0.882,1307 0.781,1308 1.248,1309 1.16,1310 0.406,1311 1.2,1312 3.932,1314 5.313,1316 6.907,1318 8.609,1320 10.37,1322 6.557,1326 6.654,1328 4.644,1332 1.239,1340 27.838,1341 55.606,1342 151.109,1343 208.309,1344 223.819,1345 229.819,1346 229.819,1347 29.039,1348 7.663,1349 38.91,1350 38.91,1351 24,1352 12.746,1353 3.7,1354 2.907,1355 29.713,1356 63,1357 66,1358 0.252,1359 169.068,1360 289.48,1361 404.286,1362 19881,1364 15.43,1365 0.701,1366 0.625,1367 15.43,1368 13.74,1369 10.563,1370 0.423,1371 0.338,1372 8.427,1373 10.468,1374 8.064,1375 6.719,1376 10.563,1377 8.452,1378 10.167,1379 0.268,1380 0.188,1381 10.167,1382 7.141,1383 8.741,1384 0.162,1385 0.101,1386 8.741,1387 5.47,1388 8.412,1389 0.105,1390 0.057,1391 8.412,1392 4.598,1393 6.633,1394 0.061,1395 0.031,1396 6.633,1397 3.368,1398 0.373,1399 64.074,1400 0.246,1401 20.821,1402 0.762,1403 126,1404 230.957,1405 129.081,1406 239.296,1407 348.18,1408 226,1409 155,1410 274.662,1411 158.497,1412 286.833,1413 426.06,1414 271,1415 8.305}
{0 CHEMBL143290,1 1.494,2 7.333,3 3.791,4 14.372,5 79.466,6 7.739,7 0.458,8 3.732,9 3.85,10 3.334,11 3.343,12 4.85,13 3.32,14 4.308,15 4.468,16 3.78,17 3.808,18 5.402,19 3.767,20 4.648,21 4.84,22 3.914,23 3.998,24 5.731,25 3.935,26 4.745,27 4.986,28 3.915,29 3.937,30 6.042,31 3.854,32 4.626,33 4.874,34 3.546,35 3.789,36 5.663,37 3.678,38 4.512,39 4.801,40 3.421,41 3.581,42 5.546,43 3.456,44 4.219,45 4.465,46 3.032,47 3.24,48 5.46,49 3.153,50 3.878,51 4.18,52 2.694,53 2.76,54 5.059,55 2.659,56 0.04,57 0.681,58 7.001,59 3.655,60 10.723,61 4.432,62 0.07,63 1.162,64 13.838,65 6.793,66 18.971,67 8.52,68 0.214,69 1.573,70 21.269,71 9.106,72 43.191,73 11.375,74 0.615,75 1.743,76 26.11,77 9.591,78 107.566,79 13.163,80 0.35,81 1.377,82 23.131,83 8.114,84 63.003,85 10.677,86 0.297,87 1.196,88 22.623,89 8.337,90 59.87,91 11.426,92 0.418,93 1.066,94 16.921,95 5.679,96 79.376,97 5.948,98 0.199,99 0.698,100 12.901,101 4.494,102 37.93,103 5.494,104 17,105 37,106 0.27,107 0.673,108 0.829,109 0.878,110 0.878,111 0.878,112 3.106,113 0.909,114 -5.14,115 -5.04,116 -4.72,121 45.9,122 1,123 3,124 2,137 1,138 1,144 2,145 2,146 3,148 2,165 1,166 1,167 1,176 9,180 4,185 2,187 17,189 2,192 2,197 1,200 10,203 1,206 4,208 1,209 1,211 5,214 11,216 5,219 1,224 2,227 5,229 2,232 1,237 2,239 8,241 2,251 3,264 3,281 410,282 13.911,283 13.911,284 13.911,285 13.911,286 13.911,287 12.242,288 15.135,289 7.807,290 14.09,291 11.873,292 11.873,293 11.873,294 11.873,295 11.873,296 9.297,297 14.419,298 3.756,299 12.215,300 3.716,301 1.481,302 0.615,303 0.345,304 0.345,305 0.345,306 3.801,310 1,311 1,312 1,313 342,314 2.236,318 130.915,320 44.557,322 105.559,324 64.258,325 1.206,326 31.426,327 1,328 1,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 46,338 154,339 4.728,340 3.533,341 7.018,342 4.321,343 3.339,344 4.67,345 0.68,346 11.956,347 3.277,348 4.207,349 3.218,350 6.433,351 3.904,352 2.921,353 3.687,355 9.896,356 2.867,357 3.818,358 2.838,359 5.542,360 3.44,361 2.459,362 3.122,364 7.412,365 2.411,366 3.596,367 2.671,368 5.403,369 3.204,370 2.239,371 3.007,373 6.878,374 2.165,375 3.43,376 2.47,377 5.119,378 3.038,379 2.082,380 2.767,382 6.121,383 1.972,384 3.139,385 2.279,386 4.989,387 2.909,388 1.942,389 2.245,391 5.668,392 1.866,393 2.901,394 1.99,395 4.66,396 2.64,397 1.658,398 1.934,400 4.862,401 1.623,402 2.772,403 1.794,404 4.643,405 2.478,406 1.544,407 1.802,409 4.392,410 1.423,411 1.501,412 0.623,413 3.45,414 1.217,415 0.241,416 0.282,418 0.744,419 0.233,420 1.346,421 0.291,422 3.104,423 0.951,429 1.086,430 0.255,431 2.821,432 0.764,433 -0.165,434 -0.196,436 -0.439,437 -0.15,438 0.839,439 0.104,440 2.656,441 0.611,442 -0.379,443 -0.398,445 -0.989,446 -0.37,447 0.634,448 0.009,449 2.483,450 0.423,451 -0.5,452 -0.603,454 -1.245,455 -0.438,456 0.493,457 -0.526,458 2.208,459 0.148,460 -0.753,461 -0.888,463 -2.041,464 -0.676,465 0.248,466 -0.605,467 2.124,468 0.044,469 -0.924,470 -1.013,472 -2.745,473 -0.908,474 9.871,475 0.47,476 0.733,477 0.035,478 24.75,479 1.179,480 11.5,481 0.548,482 13.25,483 0.631,484 19.127,485 0.911,486 22.529,487 0.609,488 16.442,489 0.783,490 4.449,491 0.212,492 5.576,493 0.266,494 0.149,496 0.507,499 2,501 0.552,502 0.845,503 0.705,504 0.895,505 0.555,506 0.852,507 0.515,508 0.931,509 0.673,510 0.991,511 0.463,512 0.909,513 0.805,514 1.049,515 0.961,516 1.118,517 0.788,518 1.092,519 0.437,520 0.803,521 0.766,522 0.997,523 0.428,524 0.982,525 0.915,526 0.885,527 1.197,528 1.04,529 0.876,530 1.137,531 0.615,532 0.851,533 0.7,534 0.907,535 0.641,536 0.855,537 2.149,538 1.317,539 1.673,540 1.084,541 2.219,542 1.199,543 1.392,544 1.24,545 0.883,546 0.943,547 1.407,548 0.83,549 5.5,551 2,552 2.75,553 1.773,554 1.049,555 0.342,556 0.333,557 0.09,558 0.051,559 3890,560 10466,561 2.126,562 43.2,563 9,564 3,567 2,568 2,572 1.638,573 1.938,574 2.858,575 0.284,577 1,579 1,582 55.263,583 1.494,584 3.728,585 4.594,586 4.865,587 4.865,588 4.865,589 2.434,590 3.726,591 4.368,592 2.946,593 618.737,594 7.515,595 6117.07,596 1,597 1,598 1,599 1,600 192.75,601 1.494,602 4.303,603 0.229,605 0.054,606 0.069,607 0.048,608 0.042,609 0.016,610 0.026,611 0.01,612 0.026,613 0.519,614 0.83,615 1,616 0.665,617 91.011,618 -0.04,619 0.068,620 0.025,621 0.112,622 -0.039,623 0.097,624 0.026,625 -0.067,626 0.122,627 0.018,628 0.071,629 0.075,630 -0.057,631 -0.131,632 -0.091,633 -0.141,634 -0.059,635 -0.13,636 0.324,637 0.038,638 0.181,639 -0.055,640 0.309,641 -0.006,642 -0.135,643 -0.037,644 -0.254,645 -0.126,646 -0.122,647 -0.19,648 0.136,649 -0.079,650 0.316,651 0.067,652 0.113,653 0.19,654 -0.39,655 0.054,656 -0.548,657 -0.103,658 -0.422,659 -0.291,660 -0.022,661 -0.174,662 0.28,663 0.063,664 -0.008,665 0.202,666 2.289,667 6.105,668 0.81,669 11.546,670 1.008,671 1.135,672 3.912,673 15.303,674 0.675,675 3.219,676 3.638,677 3.97,678 4.369,679 4.654,680 4.883,681 5.004,682 5.242,683 5.263,684 5.394,685 4.373,686 0.649,687 286.35,688 3.219,689 4.812,690 5.707,691 6.645,692 7.554,693 8.498,694 9.413,695 10.358,696 11.276,697 12.222,698 5.4,702 1,708 1,714 2,715 2,716 1,720 5,722 11,733 1,740 2,741 37,743 12,744 1,745 24,747 40,748 17,749 9,750 4,751 2,756 4,757 10,763 1,767 3,768 2,770 3,772 11,773 6,774 2,777 1,784 1,786 1,790 1,791 2,793 16,794 4,795 2,796 4,802 2,808 0.25,822 1,829 4,831 1,833 2,835 1,849 1,850 1,859 1,864 1,866 2,868 21,869 1,876 3,880 2,892 2,901 10.833,902 6.986,903 4.333,904 2.345,907 2.749,908 1.364,909 1.049,910 2.674,911 10.308,912 3.45,913 4.151,914 4.785,915 5.462,916 6.068,917 6.536,918 6.928,919 7.412,920 7.757,921 7.989,922 1,923 40,924 7.886,926 3.662,927 0.026,929 7.952,931 14.991,933 13.492,936 2.452,937 51.5,941 164.795,942 79.701,943 49.683,946 29.92,948 79.701,949 164.795,950 79.603,951 8.825,952 7.604,953 61.326,954 16.786,955 34.844,956 29.92,957 164.795,959 164.795,960 129.384,961 29.92,964 194.716,968 21.33,969 81.793,970 26.262,972 194.716,973 49.683,974 79.701,977 164.795,978 42.447,979 37.254,981 79.603,982 164.795,983 79.603,984 79.701,986 0.607,987 0.359,988 0.216,989 0.118,990 22,991 10,994 4,995 1.412,996 3.178,997 183.227,998 0.471,999 16,1000 92.239,1005 12.912,1006 4.349,1007 1.897,1008 0.588,1009 79.603,1010 2.144,1011 4.517,1015 1.11,1017 32.897,1018 324.1,1019 30.5,1026 2.299,1028 1.362,1031 37.298,1032 41.998,1034 0.287,1035 0.716,1036 0.882,1037 0.934,1038 0.934,1039 0.934,1040 4.751,1041 1.544,1042 5.746,1043 4.862,1044 4.317,1045 4.836,1046 0.655,1047 6.648,1048 4.263,1049 6.007,1050 0.241,1051 7.358,1052 4.392,1053 4.111,1054 4.89,1056 7.664,1057 4.018,1058 7.359,1060 9.064,1061 0.744,1062 5.999,1063 7.14,1064 0.356,1065 10.834,1066 5.908,1067 8.741,1068 -0.165,1069 10.823,1071 6.524,1072 7.964,1074 12.664,1075 6.402,1076 10.151,1077 -0.379,1078 12.617,1079 -0.439,1080 7.962,1081 9.77,1082 0.18,1083 15.379,1084 7.84,1085 11.583,1086 -0.5,1087 14.438,1088 -0.989,1089 8.844,1090 10.972,1092 17.578,1093 8.695,1094 13.034,1095 -0.753,1096 16.28,1097 -1.245,1098 10.113,1099 12.606,1100 0.087,1101 20.131,1102 9.957,1103 3.339,1104 -0.924,1105 18.139,1106 -2.041,1107 11.164,1108 13.991,1110 22.488,1111 10.985,1112 2.921,1113 11.956,1114 20.013,1115 -2.745,1116 12.373,1117 15.56,1118 0.041,1119 24.984,1120 12.181,1121 2.459,1122 9.896,1123 21.897,1124 4.67,1125 13.5,1126 17.029,1128 27.407,1129 13.288,1130 2.239,1131 7.412,1132 23.792,1133 3.687,1134 14.691,1135 18.576,1136 0.019,1137 29.885,1138 14.464,1139 2.082,1140 6.878,1141 25.694,1142 3.122,1143 15.854,1144 20.083,1146 32.337,1147 15.607,1148 1.942,1149 6.121,1150 27.604,1151 3.007,1152 17.042,1153 21.623,1154 0.009,1155 34.81,1156 16.778,1157 1.658,1158 5.668,1159 29.518,1160 2.767,1161 18.222,1162 23.147,1164 37.275,1165 17.939,1166 3718,1167 6239,1168 15.838,1169 24.978,1170 37.455,1171 37.731,1172 39.056,1173 36.977,1174 36.851,1175 47.033,1176 1.36,1177 115.858,1178 35.671,1179 5.68,1180 5.533,1181 6.018,1182 5.363,1183 5.339,1184 7.67,1185 1.36,1186 19.561,1187 5.277,1188 10.765,1189 1.561,1190 1.572,1191 1.627,1192 1.541,1193 1.535,1194 1.96,1195 0.057,1196 4.827,1197 1.486,1198 4.14,1199 4.168,1200 4.109,1201 4.065,1202 8.211,1203 4.071,1204 3.88,1205 3.914,1206 3.806,1207 3.805,1208 8.191,1209 3.801,1210 3.48,1211 3.527,1212 3.41,1213 3.374,1214 5.118,1215 3.374,1216 3.276,1217 3.35,1218 3.151,1219 3.131,1220 4.718,1221 3.122,1222 3.143,1223 3.222,1224 2.998,1225 2.981,1226 4.457,1227 2.971,1228 3.011,1229 3.085,1230 2.907,1231 2.826,1232 4.093,1233 2.838,1234 2.777,1235 2.88,1236 2.638,1237 2.589,1238 3.779,1239 2.576,1240 2.7,1241 2.784,1242 2.578,1243 2.434,1244 3.58,1245 2.431,1246 0.197,1247 0.147,1248 0.292,1249 0.18,1250 0.139,1251 4.728,1252 0.195,1253 3.533,1254 0.028,1255 7.018,1256 0.498,1257 4.321,1258 0.137,1259 3.339,1260 4.67,1261 0.68,1262 11.956,1263 3.277,1264 2.091,1265 2.068,1266 2.182,1267 2.183,1268 1.532,1269 2.182,1270 1.875,1271 1.845,1272 1.982,1273 1.977,1274 1.155,1275 1.984,1276 1.466,1277 1.423,1278 1.689,1279 1.618,1280 0.917,1281 1.64,1282 1.267,1283 1.207,1284 1.498,1285 1.474,1286 0.768,1287 1.482,1288 1.148,1289 1.073,1290 1.428,1291 1.362,1292 0.573,1293 1.397,1294 0.949,1295 0.889,1296 1.207,1297 1.211,1298 0.373,1299 1.211,1300 0.746,1301 0.672,1302 1.138,1303 1.016,1304 0.18,1305 1.06,1306 0.712,1307 0.597,1308 1.042,1309 0.996,1310 0.119,1311 1.011,1312 3.892,1314 5.283,1316 6.88,1318 8.586,1320 10.349,1322 2.13,1324 27.518,1326 6.25,1328 2.801,1332 0.782,1340 24.024,1341 55.263,1342 137.941,1343 169.995,1344 179.995,1345 179.995,1346 179.995,1347 42.182,1348 7.559,1349 38.91,1350 38.91,1351 24,1352 12.719,1353 3.7,1354 2.907,1355 27.805,1356 58,1357 50,1358 0.261,1359 142.687,1360 249.72,1361 339.917,1362 17484,1363 5.4,1364 14.723,1365 0.701,1366 0.561,1367 12.983,1368 11.789,1369 10.025,1370 0.418,1371 0.303,1372 7.194,1373 9.7,1374 7.01,1375 5.739,1376 9.22,1377 7.269,1378 9.998,1379 0.27,1380 0.17,1381 8.815,1382 6.282,1383 8.302,1384 0.16,1385 0.09,1386 7.657,1387 4.7,1388 8.265,1389 0.106,1390 0.051,1391 7.287,1392 4.008,1393 6.313,1394 0.061,1395 0.028,1396 6.019,1397 2.902,1398 0.384,1399 62.578,1400 0.251,1401 19.881,1402 0.801,1403 122,1404 399.18,1405 132.742,1406 342.225,1407 459.24,1408 318,1409 150,1410 335.329,1411 159.899,1412 331.697,1413 492.95,1414 313,1415 8.658}
{0 CHEMBL145928,1 1.563,2 7.882,3 2.68,4 7.18,5 66.058,6 6.752,7 0.294,8 3.626,9 3.761,10 3.088,11 3.006,12 4.811,13 2.993,14 4.131,15 4.349,16 3.313,17 3.318,18 5.096,19 3.278,20 4.287,21 4.511,22 3.34,23 3.456,24 5.265,25 3.373,26 4.409,27 4.655,28 3.32,29 3.45,30 5.402,31 3.347,32 4.348,33 4.614,34 3.189,35 3.33,36 5.401,37 3.239,38 4.223,39 4.467,40 2.995,41 3.27,42 5.3,43 3.149,44 4.083,45 4.376,46 2.863,47 3.181,48 4.972,49 3.034,50 3.936,51 4.198,52 2.641,53 3.02,54 4.982,55 2.858,56 0.078,57 0.481,58 8.259,59 2.745,60 17.338,61 4.158,62 0.261,63 0.682,64 14.593,65 3.986,66 20.111,67 6.301,68 0.205,69 0.76,70 16.829,71 5.501,72 26.333,73 8.139,74 0.362,75 0.784,76 19.545,77 5.434,78 32.874,79 8.662,80 0.341,81 0.689,82 18.692,83 4.788,84 42.932,85 7.679,86 0.401,87 0.627,88 16.456,89 4.676,90 50.563,91 7.116,92 0.156,93 0.585,94 13.788,95 4.229,96 23.411,97 6.829,98 0.111,99 0.496,100 11.775,101 3.684,102 26.911,103 5.835,104 33,105 21,106 0.293,107 0.646,108 0.835,109 0.867,110 0.878,111 0.878,112 2.906,113 0.992,114 -2.45,115 -2.47,116 -2.42,121 34.3,122 1,123 2,126 1,128 1,129 1,142 1,143 1,147 1,153 1,157 1,163 1,172 1,176 3,180 2,182 2,187 2,191 1,192 2,194 1,200 2,205 1,206 1,209 1,213 1,214 2,216 2,218 1,227 1,229 2,232 2,235 1,241 1,244 4,256 3,261 2,269 1,274 2,281 336,282 11.577,283 11.577,284 11.577,285 11.577,286 11.577,287 10.427,288 14.169,289 7.174,290 11.983,291 8.23,292 8.23,293 8.23,294 8.23,295 8.23,296 6.635,297 19.688,298 3.113,299 8.85,300 3.567,301 1.682,302 0.672,303 0.5,304 0.443,305 0.443,306 3.533,311 1,312 1,313 258,314 3.391,317 54.159,325 1.093,326 12.423,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 37.5,338 134,339 4.399,340 3.632,341 6.471,342 3.942,343 3.026,344 4.086,345 1.697,346 10.005,347 2.77,348 3.771,349 3.294,350 5.311,351 3.395,352 2.459,353 2.704,354 1.467,355 6.81,356 2.296,357 3.169,358 3.048,359 4.928,360 2.75,361 1.849,362 2.305,363 0.451,364 5.339,365 1.662,366 3.041,367 2.148,368 4.108,369 2.472,370 1.524,371 2.128,373 3.59,374 1.442,375 2.846,376 1.499,377 3.289,378 2.12,379 1.138,380 1.26,382 2.025,383 1.115,384 2.363,385 1.309,386 3.114,387 1.823,388 0.869,389 1.23,391 1.615,392 0.827,393 2.111,394 1.25,395 2.976,396 1.632,397 0.73,398 0.965,400 1.317,401 0.652,402 1.545,403 0.665,404 2.347,405 1.147,406 0.179,407 0.241,409 0.251,410 0.172,411 0.931,412 0.34,413 2,414 0.772,415 -0.182,416 -0.198,418 -0.314,419 -0.173,420 0.446,421 -0.162,422 1.857,423 0.25,424 -0.699,425 -0.78,427 -1.126,428 -0.656,429 0.365,430 -0.518,431 1.699,432 0.054,433 -0.873,434 -1.064,436 -1.624,437 -0.807,438 0.13,439 -0.716,440 1.407,441 -0.231,442 -1.156,443 -1.397,445 -2.888,446 -1.072,447 -0.253,448 -1.041,449 0.892,450 -0.637,451 -1.562,452 -1.825,454 -3.891,455 -1.427,456 -0.313,457 -1.453,458 0.678,459 -0.737,460 -1.7,461 -2.153,463 -4.24,464 -1.554,465 -0.517,466 -1.623,467 0.462,468 -0.8,469 -1.739,470 -2.256,471 -0.451,472 -4.936,473 -1.699,474 7.867,475 0.463,476 0.277,477 0.016,478 17.5,479 1.029,480 6.5,481 0.382,482 11,483 0.647,484 13.033,485 0.767,486 20.033,487 0.572,488 12.083,489 0.711,490 3.793,491 0.223,492 4.43,493 0.261,494 0.233,496 0.229,501 0.867,502 1.745,503 0.908,504 1.402,505 0.844,506 1.199,507 1.154,508 0.989,509 0.993,510 0.889,511 0.583,512 0.894,513 0.919,514 1.088,515 0.968,516 1.161,517 0.673,518 1.09,519 0.939,520 1.166,521 1.035,522 1.149,523 0.75,524 1.119,525 1.275,526 0.839,527 1.015,528 0.859,529 1.124,530 0.878,531 1.36,532 0.885,533 1.175,534 0.884,535 1.716,536 1,537 0.573,538 0.922,539 0.834,540 0.894,541 0.558,542 0.898,543 0.726,544 1.263,545 1.132,546 1.336,547 0.986,548 1.306,549 3,551 2,552 1.167,553 0.65,554 0.358,555 0.274,556 0.207,557 0.105,558 0.02,559 2032,560 5804,561 1.869,562 51.4,563 5,564 4,565 4,566 2,567 1,569 2,572 1.571,573 1.729,574 2.999,575 -0.198,577 1,578 1,579 1,582 54.692,583 1.563,584 3.448,585 4.458,586 4.629,587 4.686,588 4.686,589 2.419,590 3.97,591 4.056,592 3.101,593 421.795,594 6.866,595 3954.72,597 1,599 1,600 179.525,601 1.468,602 3.999,603 0.176,605 0.095,606 0.056,607 0.034,608 0.021,609 0.02,610 0.016,611 0.012,612 0.005,613 0.435,614 0.67,615 1,616 2.258,617 71.301,618 0.084,619 -0.417,620 0.047,621 -0.209,622 0.045,623 -0.114,624 -0.064,625 0.154,626 0.005,627 0.104,628 -0.01,629 0.075,630 -0.001,631 -0.016,632 -0.014,633 -0.101,634 0.021,635 -0.068,636 0.1,637 -0.168,638 -0.055,639 -0.176,640 -0.003,641 -0.153,642 -0.102,643 0.096,644 -0.007,645 0.053,646 -0.039,647 0.05,648 -0.11,649 0.047,650 -0.174,651 0.093,652 -0.214,653 -0.04,654 -0.005,655 0.044,656 0.081,657 0.095,658 0.063,659 0.107,660 -0.058,661 -0.255,662 -0.216,663 -0.316,664 -0.013,665 -0.295,666 1.508,667 2.564,668 0.294,669 11.986,670 1.002,671 1.144,672 1.215,673 1.477,674 0.618,675 2.89,676 3.091,677 3.296,678 3.434,679 3.367,680 3.258,681 3.258,682 3.178,683 2.833,684 2.303,685 4.82,686 0.584,687 236.33,688 2.89,689 4.344,690 5.142,691 5.969,692 6.795,693 7.633,694 8.47,695 9.314,696 10.157,697 11.004,698 8.6,706 1,707 1,708 1,715 2,720 1,721 2,722 5,726 1,741 35,743 7,745 17,747 35,748 12,749 3,752 1,756 1,757 1,763 1,770 3,771 2,772 4,773 6,777 1,784 1,785 1,790 1,793 18,794 3,795 1,796 5,799 1,802 3,803 1,808 1,809 2,828 1,836 1,837 1,857 1,858 1,859 1,864 2,868 17,875 1,876 3,878 1,880 1,885 1,886 1,891 1,893 5.7,897 1,898 1,901 9.833,902 6.683,903 4.222,904 2.111,907 1.346,908 1.244,909 0.866,910 5.743,911 6.856,912 3.157,913 3.562,914 4.05,915 4.498,916 4.557,917 4.589,918 4.737,919 4.816,920 4.695,921 4.221,922 1,923 21,924 6.192,926 2.353,927 0.026,929 7.882,931 11.692,933 8.579,936 2.382,937 40.5,938 0.001,941 200.109,942 96.276,943 17.046,945 53.806,948 96.276,949 253.914,950 17.046,951 17.222,952 9.233,953 9.047,954 47.817,955 67,956 87.436,957 129.482,959 200.109,960 113.322,961 53.806,964 176.567,965 66.348,966 11,968 44.58,969 40.765,970 27.977,972 200.109,973 70.851,974 96.276,977 200.109,978 11.561,979 48.162,980 17.031,981 90.374,982 200.109,983 70.851,984 96.276,986 0.537,987 0.325,988 0.177,989 0.084,990 7,991 4,992 0.171,993 6,995 1,996 2.888,997 102.229,999 5,1000 69.487,1005 13.752,1006 7.1,1007 3.88,1009 67.053,1010 3.696,1015 0.736,1016 3.646,1017 42.806,1018 367.236,1019 22.5,1026 1.355,1027 3.021,1031 35.087,1032 40.028,1034 0.305,1035 0.672,1036 0.869,1037 0.902,1038 0.914,1039 0.914,1040 4.347,1041 0.179,1042 5.081,1043 1.317,1044 3.761,1045 4.241,1046 2.44,1047 5.826,1048 3.613,1049 5.517,1050 -0.182,1051 6.605,1052 0.251,1053 3.219,1054 3.861,1056 6.698,1057 2.966,1058 6.789,1059 -0.699,1060 8.239,1061 -0.314,1062 5.273,1063 6.304,1064 3.294,1065 9.745,1066 4.955,1067 8.103,1068 -0.873,1069 9.938,1070 -1.126,1071 5.638,1072 6.925,1074 11.494,1075 5.209,1076 9.453,1077 -1.156,1078 11.68,1079 -1.624,1080 7.106,1081 8.738,1082 4.231,1083 14.042,1084 6.61,1085 10.83,1086 -1.562,1087 13.451,1088 -2.888,1089 7.881,1090 9.815,1092 16.128,1093 7.281,1094 12.228,1095 -1.7,1096 15.242,1097 -3.891,1098 9.119,1099 11.382,1100 5.202,1101 18.518,1102 8.443,1103 3.026,1104 -1.739,1105 17.05,1106 -4.24,1107 10.077,1108 12.655,1110 20.736,1111 9.302,1112 2.459,1113 10.005,1114 18.87,1115 -4.936,1116 11.226,1117 14.125,1118 6.194,1119 23.07,1120 10.368,1121 1.849,1122 6.81,1123 20.699,1124 4.086,1125 12.264,1126 15.479,1128 25.339,1129 11.312,1130 1.524,1131 5.339,1132 22.535,1133 2.704,1134 13.381,1135 16.912,1136 7.202,1137 27.654,1138 12.342,1139 1.138,1140 3.59,1141 24.378,1142 2.305,1143 14.454,1144 18.297,1146 29.943,1147 13.323,1148 0.869,1149 2.025,1150 26.226,1151 2.128,1152 15.561,1153 19.715,1154 8.221,1155 32.251,1156 14.34,1157 0.73,1158 1.615,1159 28.077,1160 1.26,1161 16.65,1162 21.114,1164 34.548,1165 15.339,1166 2259,1167 3899,1168 10.633,1169 21.637,1170 25.316,1171 26.064,1172 25.804,1173 23.597,1174 23.549,1175 29.838,1176 7.231,1177 61.904,1178 21.871,1179 5.286,1180 5.477,1181 6.249,1182 5.037,1183 4.996,1184 6.794,1185 3.394,1186 16.515,1187 4.567,1188 9.968,1189 1.489,1190 1.533,1191 1.518,1192 1.388,1193 1.385,1194 1.755,1195 0.425,1196 3.641,1197 1.287,1198 4.028,1199 4.092,1200 3.981,1201 3.809,1202 6.546,1203 3.845,1204 3.723,1205 3.774,1206 3.603,1207 3.595,1208 5.436,1209 3.588,1210 3.373,1211 3.438,1212 3.2,1213 3.22,1214 4.856,1215 3.204,1216 3.251,1217 3.316,1218 3.164,1219 2.953,1220 4.433,1221 2.989,1222 3.193,1223 3.279,1224 3.029,1225 2.946,1226 4.063,1227 2.954,1228 2.905,1229 2.986,1230 2.683,1231 2.694,1232 4.038,1233 2.676,1234 2.796,1235 2.907,1236 2.503,1237 2.582,1238 3.762,1239 2.548,1240 2.416,1241 2.474,1242 2.225,1243 1.993,1244 3.352,1245 2.026,1246 0.259,1247 0.214,1248 0.381,1249 0.232,1250 0.178,1251 4.399,1252 0.24,1253 3.632,1254 0.1,1255 6.471,1256 0.589,1257 3.942,1258 0.163,1259 3.026,1260 4.086,1261 1.697,1262 10.005,1263 2.77,1264 1.733,1265 1.686,1266 1.964,1267 1.942,1268 1.236,1269 1.934,1270 1.632,1271 1.564,1272 1.796,1273 1.864,1274 0.93,1275 1.86,1276 1.535,1277 1.467,1278 1.73,1279 1.765,1280 0.833,1281 1.765,1282 1.35,1283 1.294,1284 1.581,1285 1.533,1286 0.671,1287 1.549,1288 1.056,1289 0.977,1290 1.343,1291 1.408,1292 0.358,1293 1.379,1294 0.912,1295 0.831,1296 1.246,1297 1.158,1298 0.315,1299 1.197,1300 0.842,1301 0.735,1302 1.242,1303 1.101,1304 0.138,1305 1.156,1306 0.463,1307 0.376,1308 0.84,1309 0.901,1311 0.877,1312 3.555,1314 4.779,1315 2.398,1316 6.196,1317 4.727,1318 7.707,1319 6.783,1320 9.268,1322 3.922,1327 8.564,1328 2.17,1330 5.588,1332 -0.174,1337 5.369,1339 2.606,1340 20.445,1341 54.692,1342 120.664,1343 156.015,1344 162.015,1345 164.015,1346 164.015,1347 29.91,1348 5.509,1349 50.63,1350 50.63,1351 5,1352 11.565,1353 3,1354 2.7,1355 38.027,1356 48,1357 48,1358 0.399,1359 133.687,1360 231.6,1361 317.957,1362 1244,1364 12.673,1365 0.745,1366 0.603,1367 12.673,1368 10.258,1369 8.223,1370 0.484,1371 0.331,1372 5.493,1373 7.725,1374 5.318,1375 4.53,1376 8.223,1377 5.619,1378 6.408,1379 0.305,1380 0.183,1381 6.408,1382 3.837,1383 5.171,1384 0.199,1385 0.099,1386 5.171,1387 2.565,1388 3.992,1389 0.133,1390 0.054,1391 3.992,1392 1.612,1393 2.66,1394 0.095,1395 0.03,1396 2.66,1397 0.844,1398 0.615,1399 52.792,1400 0.307,1401 17.303,1402 1.115,1403 76,1404 247.508,1405 86.699,1406 235.799,1407 308.76,1408 218,1409 85,1410 219.769,1411 96.673,1412 220.467,1413 308.84,1414 203,1415 5.082}
{0 CHEMBL145971,1 1.497,2 9.591,3 2.925,4 8.554,5 86.614,6 6.828,7 0.458,8 3.878,9 4.004,10 3.376,11 3.358,12 4.952,13 3.332,14 4.427,15 4.62,16 3.668,17 3.77,18 5.325,19 3.709,20 4.662,21 4.879,22 3.713,23 3.939,24 5.501,25 3.828,26 4.79,27 5.037,28 3.644,29 3.895,30 5.636,31 3.76,32 4.733,33 5.004,34 3.469,35 3.718,36 5.605,37 3.586,38 4.59,39 4.863,40 3.208,41 3.54,42 5.46,43 3.393,44 4.32,45 4.599,46 3.195,47 3.465,48 5.052,49 3.335,50 4.29,51 4.546,52 3.276,53 3.507,54 5.127,55 3.397,56 0.082,57 0.641,58 10.288,59 3.997,60 14.383,61 5.624,62 0.268,63 1.02,64 18.862,65 6.523,66 18.843,67 9.4,68 0.19,69 1.216,70 23.755,71 9.243,72 19.91,73 13.072,74 0.373,75 1.253,76 28.041,77 9.45,78 31.924,79 13.972,80 0.352,81 1.088,82 27.206,83 8.361,84 39.549,85 12.446,86 0.502,87 0.904,88 24.156,89 7.091,90 50.151,91 10.432,92 0.171,93 0.811,94 17.447,95 5.721,96 16.946,97 8.833,98 0.162,99 0.825,100 16.701,101 5.581,102 19.161,103 8.513,104 7,105 32,106 0.262,107 0.602,108 0.817,109 0.865,110 0.889,111 0.897,112 3.146,113 0.971,114 -3.56,115 -3.53,116 -3.37,121 38.6,123 3,124 1,126 1,127 1,128 1,144 4,145 2,147 1,153 1,157 1,163 1,172 1,176 11,180 1,182 2,187 14,191 1,192 2,194 1,200 12,205 1,206 3,209 1,213 1,214 6,216 1,218 1,219 3,227 2,229 2,232 2,235 1,241 3,244 3,253 3,256 5,261 1,266 1,269 6,274 2,281 588,282 15.267,283 15.267,284 15.267,285 15.267,286 15.267,287 13.52,288 18.553,289 9.283,290 15.671,291 11.819,292 11.819,293 11.819,294 11.819,295 11.819,296 9.423,297 21.269,298 4.27,299 12.413,300 3.962,301 2.022,302 0.79,303 0.517,304 0.381,305 0.335,306 3.831,310 1,311 1,312 1,313 453,314 2.828,317 61.202,318 110.415,322 94.379,325 1.302,326 11.857,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 47.5,338 211,339 4.399,340 3.631,341 6.506,342 4.028,343 3.038,344 4.086,345 1.697,346 10.195,347 3.023,348 4.306,349 3.278,350 6.47,351 3.939,352 3.016,353 3.87,354 1.041,355 10.002,356 2.769,357 3.316,358 3.091,359 5.204,360 3.12,361 2.144,362 2.449,364 6.256,365 2.098,366 3.155,367 2.477,368 4.951,369 2.786,370 1.888,371 2.323,373 5.41,374 1.689,375 3.041,376 2.183,377 4.177,378 2.618,379 1.618,380 2.128,382 3.816,383 1.618,384 2.944,385 1.744,386 4.109,387 2.474,388 1.528,389 2.103,391 3.599,392 1.443,393 2.623,394 1.643,395 3.612,396 2.279,397 1.29,398 1.655,400 2.893,401 1.277,402 2.368,403 1.434,404 3.493,405 2.105,406 1.188,407 1.308,409 2.618,410 1.081,411 2.305,412 1.286,413 3.228,414 1.824,415 0.866,416 1.214,418 1.857,419 0.827,420 1.998,421 0.911,422 3.105,423 1.738,424 0.793,425 0.931,427 1.54,428 0.744,429 1.233,430 0.68,431 2.675,432 1.084,433 0.14,434 0.149,436 0.299,437 0.131,438 0.903,439 0.393,440 2.322,441 0.726,442 -0.239,443 -0.262,445 -0.491,446 -0.229,447 0.682,448 -0.158,449 2,450 0.382,451 -0.618,452 -0.712,454 -1.334,455 -0.581,456 0.618,457 -0.372,458 2,459 0.323,460 -0.621,461 -0.73,463 -1.478,464 -0.618,465 0.417,466 -0.507,467 2,468 0.065,469 -0.868,470 -1.061,472 -1.76,473 -0.803,474 10.367,475 0.471,476 0.38,477 0.017,478 25,479 1.136,480 10.5,481 0.477,482 14.5,483 0.659,484 18.106,485 0.823,486 24.733,487 0.562,488 16.516,489 0.751,490 5.091,491 0.231,492 5.701,493 0.259,494 0.08,496 0.27,501 0.821,502 1.46,503 0.868,504 1.204,505 0.767,506 1.071,507 1.082,508 0.93,509 1.021,510 0.893,511 0.618,512 0.932,513 0.709,514 1.092,515 0.999,516 1.195,517 0.585,518 1.152,519 0.846,520 1.129,521 1.056,522 1.192,523 0.626,524 1.163,525 1.213,526 0.946,527 1.019,528 1.012,529 0.937,530 0.989,531 1.585,532 0.796,533 1.106,534 0.78,535 1.649,536 0.877,537 0.719,538 0.927,539 0.84,540 0.837,541 0.526,542 0.845,543 0.787,544 0.969,545 0.908,546 0.876,547 0.88,548 0.893,549 3,550 0.078,551 2.667,552 1.604,553 0.806,554 0.341,555 0.202,556 0.213,557 0.178,558 0.135,559 5215,560 12338,561 2.097,562 50,563 6,564 9,565 3,566 2,567 1,569 1,572 1.642,573 2,574 3.234,575 -0.31,576 1,577 1,579 1,582 65.866,583 1.497,584 3.438,585 4.67,586 4.942,587 5.079,588 5.124,589 2.59,590 4.005,591 4.437,592 3.374,593 779.45,594 7.602,595 8840.98,597 1,599 1,600 240.215,601 1.241,602 4.407,603 0.125,604 0.007,605 0.083,606 0.05,607 0.03,608 0.015,609 0.012,610 0.011,611 0.008,612 0.007,613 0.349,614 0.5,615 1,616 0.923,617 102.191,618 0.1,619 -0.206,620 0.07,621 -0.068,622 0.111,623 -0.02,624 -0.072,625 0.229,626 -0.052,627 0.141,628 -0.038,629 0.061,630 0.031,631 -0.035,632 -0.07,633 -0.129,634 0.004,635 -0.119,636 0.118,637 -0.15,638 -0.086,639 -0.205,640 0.051,641 -0.181,642 -0.026,643 -0.04,644 -0.01,645 -0.08,646 0.055,647 -0.043,648 -0.11,649 0.053,650 -0.063,651 0.135,652 -0.14,653 0.05,654 -0.028,655 0.05,656 0.112,657 0.132,658 0.009,659 0.143,660 -0.074,661 0.068,662 0.041,663 0.115,664 -0.066,665 0.1,666 1.041,667 2.727,668 0.682,669 15.545,670 0.997,671 1.133,672 2.331,673 5.434,674 0.64,675 3.219,676 3.497,677 3.784,678 4.025,679 4.127,680 4.025,681 4.078,682 4.159,683 4.263,684 4.22,685 5.81,686 0.602,687 300.42,688 3.219,689 4.727,690 5.572,691 6.435,692 7.295,693 8.162,694 9.026,695 9.894,696 10.759,697 11.627,698 6.8,706 1,707 1,708 1,715 6,720 3,721 2,722 11,726 1,741 44,743 12,744 1,745 24,747 46,748 17,749 9,750 2,751 4,752 1,756 3,757 4,767 3,768 1,770 3,772 10,773 7,774 1,777 1,784 1,785 1,789 1,790 1,793 22,794 3,795 1,796 5,799 1,802 3,803 1,808 0.667,809 2,828 1,829 2,833 1,857 1,858 1,859 2,864 1,868 22,875 1,876 5,878 1,880 1,893 4.5,897 1,898 1,901 11,902 7.933,903 5.028,904 2.659,907 2.213,908 1.324,909 0.94,910 4.905,911 9.052,912 3.45,913 3.984,914 4.534,915 5.054,916 5.329,917 5.28,918 5.43,919 5.557,920 5.774,921 5.873,922 1,923 32,924 8.1,926 3.326,927 0.026,929 7.606,931 15.863,933 12.984,936 2.106,937 46.333,938 0.001,940 1,941 247.193,942 98.502,943 17.046,945 53.806,948 98.502,949 300.999,950 17.046,951 8.396,952 16.36,953 46.952,954 47.817,955 73.371,956 35.313,957 188.338,959 247.193,960 115.548,961 53.806,964 235.422,965 54.577,966 11,968 42.881,969 61.72,970 10.947,972 247.193,973 70.851,974 98.502,977 247.193,978 25.059,979 77.242,981 67.053,982 247.193,983 70.851,984 98.502,986 0.562,987 0.342,988 0.197,989 0.1,990 15,991 6,992 0.109,993 5,994 1,995 1.133,996 3.517,997 165.869,998 0.133,999 15,1000 98.107,1005 15.254,1006 7.074,1007 3.417,1009 67.053,1010 12.509,1015 3.693,1016 3.813,1017 42.806,1018 416.547,1019 30.5,1026 1.416,1027 3.105,1031 43.854,1032 49.858,1034 0.274,1035 0.63,1036 0.855,1037 0.905,1038 0.93,1039 0.939,1040 4.661,1041 1.188,1042 5.525,1043 2.893,1044 4.174,1045 4.668,1046 2.189,1047 6.319,1048 4.085,1049 5.829,1050 0.866,1051 7.069,1052 2.618,1053 3.611,1054 4.311,1056 7.222,1057 3.485,1058 7.113,1059 0.793,1060 8.722,1061 1.857,1062 5.733,1063 6.789,1064 2.993,1065 10.336,1066 5.567,1067 8.438,1068 0.14,1069 10.444,1070 1.54,1071 6.089,1072 7.372,1074 12.125,1075 5.883,1076 9.803,1077 -0.239,1078 12.21,1079 0.299,1080 7.614,1081 9.246,1082 3.938,1083 14.719,1084 7.379,1085 11.197,1086 -0.618,1087 14.005,1088 -0.491,1089 8.395,1090 10.261,1092 16.833,1093 8.122,1094 12.611,1095 -0.621,1096 15.821,1097 -1.334,1098 9.674,1099 11.877,1100 4.951,1101 19.253,1102 9.375,1103 3.038,1104 -0.868,1105 17.651,1106 -1.478,1107 10.643,1108 13.089,1110 21.488,1111 10.31,1112 3.016,1113 10.195,1114 19.491,1115 -1.76,1116 11.821,1117 14.588,1118 5.992,1119 23.844,1120 11.464,1121 2.144,1122 10.002,1123 21.339,1124 4.086,1125 12.87,1126 15.891,1128 26.126,1129 12.484,1130 1.888,1131 6.256,1132 23.191,1133 3.87,1134 14.007,1135 17.336,1136 7.044,1137 28.457,1138 13.598,1139 1.618,1140 5.41,1141 25.048,1142 2.449,1143 15.09,1144 18.683,1146 30.758,1147 14.655,1148 1.528,1149 3.816,1150 26.908,1151 2.323,1152 16.209,1153 20.102,1154 8.099,1155 33.079,1156 15.754,1157 1.29,1158 3.599,1159 28.771,1160 2.128,1161 17.306,1162 21.471,1164 35.387,1165 16.83,1166 5065,1167 7881,1168 16.296,1169 28.159,1170 35.491,1171 37.522,1172 36.392,1173 35.001,1174 35.015,1175 44.435,1176 5.476,1177 96.97,1178 33.398,1179 5.352,1180 5.631,1181 6.265,1182 5.125,1183 5.038,1184 7.086,1185 3.394,1186 16.972,1187 5.023,1188 8.501,1189 1.479,1190 1.563,1191 1.516,1192 1.458,1193 1.459,1194 1.851,1195 0.228,1196 4.04,1197 1.392,1198 4.048,1199 4.102,1200 3.991,1201 3.959,1202 6.546,1203 3.953,1204 3.987,1205 4.029,1206 3.923,1207 3.799,1208 4.87,1209 3.834,1210 3.553,1211 3.604,1212 3.42,1213 3.436,1214 4.738,1215 3.423,1216 3.375,1217 3.436,1218 3.22,1219 3.165,1220 4.476,1221 3.163,1222 3.25,1223 3.316,1224 3.16,1225 2.953,1226 4.042,1227 2.988,1228 3.159,1229 3.251,1230 2.973,1231 2.937,1232 4.031,1233 2.937,1234 2.932,1235 3.014,1236 2.719,1237 2.731,1238 3.784,1239 2.714,1240 2.784,1241 2.871,1242 2.601,1243 2.643,1244 3.69,1245 2.624,1246 0.183,1247 0.151,1248 0.271,1249 0.168,1250 0.127,1251 4.399,1252 0.17,1253 3.631,1254 0.071,1255 6.506,1256 0.425,1257 4.028,1258 0.126,1259 3.038,1260 4.086,1261 1.697,1262 10.195,1263 3.023,1264 2.006,1265 1.978,1266 2.14,1267 2.091,1268 1.464,1269 2.109,1270 1.65,1271 1.589,1272 1.803,1273 1.914,1274 0.964,1275 1.88,1276 1.573,1277 1.515,1278 1.786,1279 1.795,1280 0.932,1281 1.788,1282 1.53,1283 1.466,1284 1.731,1285 1.694,1286 0.881,1287 1.722,1288 1.298,1289 1.237,1290 1.566,1291 1.525,1292 0.816,1293 1.536,1294 1.057,1295 0.978,1296 1.344,1297 1.4,1298 0.452,1299 1.377,1300 0.937,1301 0.859,1302 1.282,1303 1.187,1304 0.355,1305 1.226,1306 0.821,1307 0.741,1308 1.18,1309 1.063,1310 0.307,1311 1.108,1312 3.892,1314 5.176,1315 2.398,1316 6.668,1317 4.727,1318 8.26,1319 6.783,1320 9.902,1322 1.908,1327 8.727,1328 4.764,1330 5.923,1332 0.476,1340 26.498,1341 65.866,1342 151.261,1343 205.46,1344 217.46,1345 223.46,1346 225.46,1347 29.044,1348 6.838,1349 50.63,1350 50.63,1351 17,1352 12.172,1353 3.7,1354 2.907,1355 34.615,1356 79,1357 69,1358 0.219,1359 163.935,1360 279.84,1361 391.761,1362 8485,1364 15.364,1365 0.698,1366 0.587,1367 15.364,1368 12.904,1369 10.792,1370 0.45,1371 0.324,1372 7.636,1373 10.29,1374 7.456,1375 6.203,1376 10.792,1377 7.765,1378 9.098,1379 0.284,1380 0.184,1381 9.098,1382 5.885,1383 7.824,1384 0.182,1385 0.104,1386 7.824,1387 4.459,1388 6.654,1389 0.121,1390 0.06,1391 6.654,1392 3.284,1393 5.119,1394 0.084,1395 0.036,1396 5.119,1397 2.199,1398 0.345,1399 68.297,1400 0.248,1401 21.86,1402 0.59,1403 112,1404 297.508,1405 122.035,1406 285.842,1407 388.06,1408 268,1409 131,1410 283.86,1411 142.34,1412 287.876,1413 411.06,1414 268,1415 4.252}
{0 CHEMBL146158,1 1.738,2 9.524,3 0.209,4 0.044,5 76.857,6 7.548,7 0.455,8 3.796,9 3.929,10 3.356,11 3.076,12 5.072,13 3.123,14 4.269,15 4.484,16 3.609,17 3.432,18 5.316,19 3.457,20 4.361,21 4.544,22 3.619,23 3.598,24 5.416,25 3.561,26 4.605,27 4.845,28 3.618,29 3.594,30 5.64,31 3.528,32 4.534,33 4.796,34 3.481,35 3.399,36 5.64,37 3.369,38 4.44,39 4.673,40 3.215,41 3.287,42 5.581,43 3.221,44 4.178,45 4.464,46 3.167,47 3.227,48 5.052,49 3.149,50 4.114,51 4.36,52 3.231,53 3.21,54 5.172,55 3.164,56 0.223,57 0.556,58 8.634,59 2.295,60 21.871,61 3.874,62 0.536,63 0.798,64 16.041,65 3.271,66 21.145,67 5.702,68 0.357,69 0.879,70 16.162,71 5.446,72 18.419,73 7.968,74 0.706,75 0.855,76 23.328,77 5.59,78 29.689,79 9.531,80 0.668,81 0.677,82 23.085,83 4.547,84 51.1,85 8.039,86 0.948,87 0.611,88 21.802,89 4.408,90 84.98,91 7.011,92 0.384,93 0.604,94 15.866,95 3.896,96 26.968,97 6.683,98 0.431,99 0.607,100 14.31,101 3.366,102 28.041,103 5.781,104 25,105 29,106 0.313,107 0.588,108 0.677,109 0.695,110 0.714,111 0.714,112 3.102,113 0.87,114 -1.15,115 -1.24,116 -1.32,121 30.8,126 2,128 2,147 2,153 2,157 2,163 2,172 2,182 4,191 2,194 2,205 2,209 2,213 2,217 1,218 2,234 2,235 2,246 2,255 1,263 2,268 2,281 542,282 14.276,283 14.276,284 14.276,285 14.276,286 14.276,287 12.235,288 21.922,289 8.686,290 14.965,291 10.757,292 10.757,293 10.757,294 10.757,295 10.757,296 8.13,297 33.559,298 3.882,299 11.773,300 3.547,301 2.019,302 1.526,303 1.423,304 1.321,305 1.321,306 3.76,311 1,312 1,313 408,314 3.162,317 129.22,325 1.306,326 14.947,329 1,330 0.83,331 1,332 0.8,334 1,335 1,336 0.8,337 48,338 200,339 4.405,340 3.632,341 6.474,342 3.95,343 3.035,344 4.09,345 1.697,346 10.014,347 2.776,348 4.392,349 3.631,350 6.467,351 3.93,352 3.012,353 4.082,354 1.697,355 9.992,356 2.762,357 3.223,358 3.128,359 4.981,360 2.872,361 1.993,362 2.387,363 1.157,364 5.528,365 1.752,366 3.113,367 3.06,368 4.924,369 2.708,370 1.81,371 2.286,372 0.297,373 5.303,374 1.625,375 3.041,376 2.42,377 4.123,378 2.476,379 1.53,380 2.129,382 3.619,383 1.444,384 3.041,385 2.023,386 4.101,387 2.47,388 1.521,389 2.127,391 3.578,392 1.44,393 2.371,394 1.584,395 3.434,396 1.927,397 1.065,398 1.27,400 2.39,401 0.913,402 2.362,403 1.454,404 3.131,405 1.819,406 0.862,407 1.222,409 1.594,410 0.822,411 2.204,412 1.377,413 3.101,414 1.798,415 0.852,416 1.133,418 1.529,419 0.803,420 1.304,421 0.737,422 2.682,423 1.132,424 0.204,425 0.219,427 0.415,428 0.188,429 0.976,430 0.642,431 2,432 0.824,433 -0.13,434 -0.14,436 -0.235,437 -0.123,438 0.667,439 0.385,440 2,441 0.405,442 -0.506,443 -0.58,445 -0.959,446 -0.458,447 0.423,448 -0.145,449 2,450 0.075,451 -0.853,452 -1.043,454 -1.572,455 -0.791,456 0.389,457 -0.382,458 1.806,459 0.033,460 -0.882,461 -1.074,463 -1.805,464 -0.809,465 0.145,466 -0.898,467 1.563,468 -0.245,469 -1.142,470 -1.365,472 -2.984,473 -1.024,474 9.4,475 0.448,476 0.418,477 0.02,478 24.5,479 1.167,480 9,481 0.429,482 15.5,483 0.738,484 14.686,485 0.699,486 24.8,487 0.636,488 18.662,489 0.889,490 5.783,491 0.275,492 4.385,493 0.209,494 0.177,496 0.277,501 0.903,502 2.05,503 0.8,504 1.464,505 0.822,506 1.154,507 1.133,508 0.849,509 0.942,510 0.561,511 0.555,512 0.65,513 0.792,514 1.286,515 1.052,516 1.458,517 0.648,518 1.34,519 0.735,520 1.148,521 1.023,522 1.259,523 0.561,524 1.218,525 1.173,526 0.918,527 0.96,528 0.96,529 0.973,530 0.897,531 1.644,532 0.751,533 1.315,534 0.769,535 1.952,536 0.983,537 0.63,538 0.814,539 0.716,540 0.761,541 0.469,542 0.75,543 0.816,544 0.965,545 0.886,546 0.812,547 0.96,548 0.856,549 3.5,550 0.09,551 2.889,552 1.958,553 0.82,554 0.431,555 0.204,556 0.238,557 0.211,558 0.179,559 4204,560 13836,561 1.968,562 46.2,564 6,565 6,566 4,567 2,572 1.63,573 1.826,574 3.225,575 0.519,577 1,582 67.788,583 1.738,584 3.267,585 3.76,586 3.862,587 3.965,588 3.965,589 2.606,590 3.44,591 4.367,592 3.368,593 707.204,594 7.468,595 7826.7,597 1,600 206.131,601 1.461,602 4.311,603 0.159,604 0.009,605 0.1,606 0.07,607 0.033,608 0.02,609 0.013,610 0.013,611 0.011,612 0.011,613 0.438,614 0.5,615 1,616 1.311,617 96.295,618 0.015,619 -0.683,620 0.06,621 -0.289,622 0.037,623 -0.139,624 -0.178,625 0.327,627 0.39,628 -0.05,629 0.27,630 -0.042,631 -0.018,632 -0.197,633 -0.271,634 -0.06,635 -0.279,636 0.151,637 -0.138,638 -0.071,639 -0.266,640 0.055,641 -0.232,642 -0.092,643 -0.058,644 0.06,645 -0.06,646 0.032,647 0.046,648 -0.205,649 0.043,650 -0.251,651 0.136,652 -0.308,653 -0.066,654 0.049,655 0.127,656 0.238,657 0.233,658 0.062,659 0.281,660 0.007,661 0.07,662 0.059,663 0.188,664 -0.058,665 0.138,666 1.209,667 2.645,668 0.476,669 15.265,670 1.023,671 1.157,672 -0.08,673 0.006,674 0.615,675 3.135,676 3.401,677 3.664,678 3.871,679 3.807,680 3.664,681 3.664,682 3.738,683 3.85,684 3.892,685 5.748,686 0.601,687 294.36,688 3.135,689 4.635,690 5.468,691 6.326,692 7.18,693 8.043,694 8.902,695 9.765,696 10.626,697 11.49,698 15.4,706 2,707 2,708 2,715 4,720 2,721 4,722 10,726 2,741 39,743 12,745 22,747 40,748 12,749 6,752 2,756 2,757 2,772 8,773 4,777 2,784 2,785 2,789 1,790 1,793 18,794 5,795 2,796 9,799 2,802 6,803 2,808 1,809 3,828 2,857 2,858 1,859 2,864 2,868 21,875 2,876 2,878 1,893 7.7,897 1,898 2,901 11.5,902 7.367,903 4.944,904 1.944,907 2.211,908 1.351,909 0.883,910 5.488,911 8.514,912 3.401,913 3.961,914 4.519,915 5.06,916 5.121,917 5.116,918 5.221,919 5.361,920 5.686,921 6.026,922 1,923 28,924 7.612,926 2.995,927 0.026,929 7.968,931 14.173,933 10.602,936 2.468,937 51.833,941 188.338,942 84.06,943 34.091,945 96.611,948 84.06,949 284.949,950 34.091,951 16.793,952 8.327,953 18.095,954 84.633,955 133.999,956 70.627,957 70.627,959 188.338,960 118.152,961 96.611,964 188.338,965 85.611,966 11,968 61.371,969 34.888,970 21.893,972 188.338,973 130.703,974 84.06,977 188.338,978 12.983,979 78.674,981 123.106,982 188.338,983 130.703,984 84.06,986 0.557,987 0.341,988 0.195,989 0.094,990 12,991 6,992 0.15,993 6,995 1,996 3.338,997 147.328,999 10,1000 72.239,1005 15.683,1006 7.348,1007 3.689,1009 123.106,1010 7.311,1015 1.403,1016 7.206,1017 85.611,1018 403.1,1019 29,1026 2.672,1027 6.063,1031 39.894,1032 45.109,1034 0.329,1035 0.618,1036 0.711,1037 0.731,1038 0.75,1039 0.75,1040 4.6,1041 0.862,1042 5.434,1043 2.39,1044 4.078,1045 4.644,1046 2.733,1047 6.232,1048 3.901,1049 5.801,1050 0.852,1051 6.989,1052 1.594,1053 3.611,1054 4.407,1056 7.168,1057 3.34,1058 7.101,1059 0.204,1060 8.654,1061 1.529,1062 5.645,1063 6.827,1064 3.632,1065 10.259,1066 5.288,1067 8.446,1068 -0.13,1069 10.384,1070 0.415,1071 6.089,1072 7.536,1074 12.064,1075 5.638,1076 9.829,1077 -0.506,1078 12.155,1079 -0.235,1080 7.55,1081 9.346,1082 4.619,1083 14.64,1084 7.016,1085 11.239,1086 -0.853,1087 13.954,1088 -0.959,1089 8.389,1090 10.465,1092 16.759,1093 7.765,1094 12.669,1095 -0.882,1096 15.772,1097 -1.572,1098 9.632,1099 12.036,1100 5.644,1101 19.164,1102 8.923,1103 3.035,1104 -1.142,1105 17.603,1106 -1.805,1107 10.633,1108 13.327,1110 21.397,1111 9.836,1112 3.012,1113 10.014,1114 19.444,1115 -2.984,1116 11.792,1117 14.801,1118 6.687,1119 23.74,1120 10.909,1121 1.993,1122 9.992,1123 21.291,1124 4.09,1125 12.857,1126 16.162,1128 26.016,1129 11.886,1130 1.81,1131 5.528,1132 23.144,1133 4.082,1134 13.985,1135 17.597,1136 7.739,1137 28.335,1138 12.927,1139 1.53,1140 5.303,1141 25,1142 2.387,1143 15.075,1144 18.986,1146 30.627,1147 13.929,1148 1.521,1149 3.619,1150 26.859,1151 2.286,1152 16.19,1153 20.405,1154 8.793,1155 32.936,1156 14.956,1157 1.065,1158 3.578,1159 28.721,1160 2.129,1161 17.29,1162 21.804,1164 35.235,1165 15.968,1166 4326,1167 7930,1168 14.216,1169 23.966,1170 32.577,1171 35.855,1172 34.105,1173 31.798,1174 31.77,1175 41.891,1176 9.697,1177 87.924,1178 29.046,1179 5.29,1180 5.481,1181 6.233,1182 5.078,1183 5.035,1184 6.801,1185 3.394,1186 16.54,1187 4.576,1188 11.625,1189 1.481,1190 1.63,1191 1.55,1192 1.445,1193 1.444,1194 1.904,1195 0.441,1196 3.997,1197 1.32,1198 4.055,1199 4.118,1200 4.007,1201 3.829,1202 6.549,1203 3.866,1204 3.991,1205 4.057,1206 3.946,1207 3.775,1208 6.543,1209 3.811,1210 3.372,1211 3.436,1212 3.243,1213 3.064,1214 4.903,1215 3.093,1216 3.251,1217 3.316,1218 3.166,1219 2.953,1220 4.81,1221 2.988,1222 3.25,1223 3.316,1224 3.153,1225 2.952,1226 4.433,1227 2.987,1228 3.134,1229 3.241,1230 2.926,1231 2.874,1232 4.04,1233 2.867,1234 2.945,1235 3.039,1236 2.693,1237 2.712,1238 4.039,1239 2.691,1240 2.718,1241 2.83,1242 2.455,1243 2.494,1244 3.816,1245 2.469,1246 0.2,1247 0.165,1248 0.294,1249 0.18,1250 0.138,1251 4.405,1252 0.186,1253 3.632,1254 0.077,1255 6.474,1256 0.455,1257 3.95,1258 0.126,1259 3.035,1260 4.09,1261 1.697,1262 10.014,1263 2.776,1264 1.672,1265 1.612,1266 1.811,1267 1.95,1268 0.972,1269 1.91,1270 1.626,1271 1.557,1272 1.792,1273 1.886,1274 0.898,1275 1.857,1276 1.563,1277 1.496,1278 1.764,1279 1.81,1280 0.844,1281 1.8,1282 1.506,1283 1.439,1284 1.667,1285 1.732,1286 0.798,1287 1.722,1288 1.099,1289 1.035,1290 1.348,1291 1.458,1292 0.379,1293 1.416,1294 1.038,1295 0.949,1296 1.343,1297 1.4,1298 0.35,1299 1.368,1300 0.951,1301 0.861,1302 1.31,1303 1.225,1304 0.331,1305 1.256,1306 0.78,1307 0.674,1308 1.164,1309 1.082,1310 0.268,1311 1.12,1312 3.807,1314 5.081,1315 3.045,1316 6.541,1317 5.416,1318 8.091,1319 7.476,1320 9.691,1322 3.685,1327 17.291,1328 0.583,1330 5.619,1340 23.434,1341 67.788,1342 127.402,1343 146.621,1344 150.621,1345 154.621,1346 154.621,1347 29.746,1348 6.303,1349 92.03,1350 92.03,1351 10,1352 12.038,1353 3.7,1354 3,1355 39.425,1356 74,1357 63,1358 0.268,1359 149.209,1360 248.81,1361 355.831,1362 3984,1364 15.242,1365 0.726,1366 0.57,1367 15.242,1368 11.97,1369 10.168,1370 0.462,1371 0.29,1372 6.162,1373 9.298,1374 6.007,1375 5.064,1376 10.168,1377 6.38,1378 8.465,1379 0.292,1380 0.161,1381 8.465,1382 4.656,1383 7.052,1384 0.186,1385 0.087,1386 7.052,1387 3.292,1388 5.806,1389 0.124,1390 0.046,1391 5.806,1392 2.16,1393 4.01,1394 0.091,1395 0.026,1396 4.01,1397 1.148,1398 0.423,1399 67.099,1400 0.265,1401 21.035,1402 0.721,1403 102,1404 361.281,1405 119.191,1406 339.948,1407 447.3,1408 314,1409 118,1410 326.084,1411 137.359,1412 325.43,1413 454.54,1414 298,1415 5.108}
{0 CHEMBL146873,1 1.437,2 9.3,3 3.764,4 14.168,5 80.956,6 6.533,7 0.3,8 3.776,9 3.911,10 3.213,11 3.238,12 4.875,13 3.198,14 4.309,15 4.534,16 3.497,17 3.557,18 5.328,19 3.494,20 4.48,21 4.673,22 3.542,23 3.749,24 5.501,25 3.651,26 4.735,27 4.999,28 3.445,29 3.781,30 5.682,31 3.638,32 4.582,33 4.85,34 3.399,35 3.716,36 5.525,37 3.576,38 4.447,39 4.675,40 3.321,41 3.661,42 5.448,43 3.513,44 4.496,45 4.783,46 3.112,47 3.528,48 5.36,49 3.357,50 4.202,51 4.449,52 2.912,53 3.261,54 5.21,55 3.104,56 0.023,57 0.568,58 9.683,59 3.736,60 9.356,61 5.373,62 0.379,63 0.85,64 17.507,65 5.364,66 28.216,67 8.231,68 0.134,69 0.993,70 20.188,71 7.518,72 24.722,73 10.661,74 0.352,75 1.09,76 26.902,77 8.975,78 57.859,79 12.937,80 0.224,81 1.009,82 22.603,83 7.916,84 40.766,85 11.693,86 0.171,87 0.93,88 19.447,89 7.409,90 31.905,91 10.708,92 0.24,93 0.861,94 20.94,95 7.064,96 37.803,97 10.455,98 0.25,99 0.655,100 15.679,101 5.286,102 31.276,103 7.606,104 51,105 26,106 0.257,107 0.581,108 0.764,109 0.833,110 0.833,111 0.833,112 3.056,113 0.983,114 -3.77,115 -3.73,116 -3.55,121 38.1,122 1,123 1,126 3,127 1,129 1,142 1,143 1,144 4,145 1,146 1,161 1,176 6,179 3,180 5,187 7,192 4,200 4,206 8,214 5,219 5,227 4,231 1,232 6,239 4,251 3,255 2,256 3,264 2,269 1,277 1,281 524,282 12.853,283 12.853,284 12.853,285 12.853,286 12.853,287 11.792,288 17.651,289 7.762,290 13.191,291 9.79,292 9.79,293 9.79,294 9.79,295 9.79,296 8.115,297 19.8,298 3.591,299 10.295,300 3.955,301 2.149,302 1.126,303 0.739,304 0.739,305 0.739,306 3.687,310 1,311 1,312 1,313 358,314 4.123,318 76.301,325 1.53,326 15.921,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 43,338 186,339 4.125,340 3.762,341 5.937,342 3.794,343 2.835,344 3.692,345 2.208,346 8.361,347 2.727,348 3.853,349 3.127,350 5.823,351 3.635,352 2.706,353 3.045,354 1.053,355 7.903,356 2.5,357 3.709,358 2.828,359 5.478,360 3.428,361 2.47,362 2.754,363 0.655,364 7.043,365 2.348,366 3.417,367 2.412,368 4.934,369 2.933,370 1.979,371 2.462,372 0.249,373 5.679,374 1.88,375 3.214,376 2.064,377 3.939,378 2.405,379 1.429,380 1.891,381 0.13,382 3.265,383 1.392,384 2.679,385 1.969,386 3.549,387 2.193,388 1.207,389 1.733,391 2.645,392 1.187,393 2.304,394 1.314,395 3.428,396 1.967,397 1,398 1.192,400 2.272,401 0.949,402 2.175,403 1.039,404 2.917,405 1.719,406 0.748,407 0.959,409 1.259,410 0.725,411 1.188,412 0.672,413 2.421,414 0.789,415 -0.197,416 -0.244,418 -0.473,419 -0.192,420 1.027,421 0.003,422 2.323,423 0.714,424 -0.26,425 -0.316,427 -0.676,428 -0.251,429 0.839,430 -0.303,431 1.762,432 0.365,433 -0.593,434 -0.826,436 -0.919,437 -0.565,438 0.484,439 -0.363,440 1.707,442 -1,443 -1,445 -2,446 -0.9,447 0.304,448 -0.6,449 1.457,450 -0.001,451 -1,452 -1.218,454 -2.388,455 -0.983,457 -0.941,458 1.35,459 -0.1,460 -1,461 -1.411,463 -2.69,464 -1,465 -0.236,466 -1,467 1.225,468 -0.434,469 -1.373,470 -1.503,472 -3.251,473 -1.282,474 9.467,475 0.473,476 0.565,477 0.028,478 22.25,479 1.113,480 10,481 0.5,482 12.25,483 0.613,484 16.147,485 0.807,486 22.933,487 0.546,488 16.553,489 0.828,490 4.757,491 0.238,492 4.678,493 0.234,494 0.299,496 0.296,501 0.794,502 1.659,503 0.925,504 1.372,505 0.661,506 1.194,507 0.831,508 0.792,509 0.888,510 0.744,511 0.465,512 0.785,513 1.061,514 1.323,515 1.161,516 1.357,517 0.771,518 1.282,519 1.412,520 0.898,521 1.029,522 0.894,523 1.333,524 0.921,525 0.909,526 0.928,527 0.91,528 0.91,529 0.976,530 0.911,531 0.695,532 1.285,533 1.121,534 1.335,535 0.942,536 1.298,537 1.047,538 0.865,539 0.968,540 0.902,541 0.958,542 0.924,543 1.213,544 1.07,545 1.195,546 1.16,547 1.1,548 1.188,549 5,550 0.05,551 2.222,552 1.25,553 0.942,554 0.514,555 0.408,556 0.252,557 0.181,558 0.116,559 3294,560 8852,561 1.835,562 52.4,564 16,565 1,569 5,572 1.617,573 1.667,574 3.233,575 -0.787,577 1,579 1,582 60.37,583 1.437,584 3.244,585 4.267,586 4.654,587 4.654,588 4.654,589 2.733,590 4.122,591 4.291,592 3.359,593 638.164,594 7.328,595 6756.55,596 1,597 1,599 1,600 226.477,601 1.571,602 4.209,603 0.25,604 0.007,605 0.085,606 0.048,607 0.041,608 0.022,609 0.02,610 0.016,611 0.015,612 0.011,613 0.516,614 0.67,615 1,616 2.166,617 90.053,618 0.021,619 -0.39,620 0.046,621 -0.208,622 -0.038,623 -0.101,624 0.276,625 0.357,626 0.131,627 0.224,628 0.183,629 0.177,630 -0.078,631 -0.217,632 -0.185,633 -0.28,634 0.002,635 -0.248,636 -0.152,637 0.004,638 -0.026,639 0.068,640 -0.107,641 0.037,642 -0.053,643 0.04,644 0.05,645 0.078,646 -0.064,647 0.078,648 0.046,649 -0.242,650 -0.181,651 -0.278,652 -0.108,653 -0.266,654 -0.08,655 0.039,656 0.002,657 0.048,658 -0.063,659 0.038,660 0.007,661 -0.115,662 -0.196,663 -0.19,664 -0.061,665 -0.227,666 2.042,667 4.512,668 0.3,669 16.62,670 0.993,671 1.133,672 2.538,673 6.441,674 0.632,675 3.045,676 3.296,677 3.401,678 3.466,679 3.584,680 3.526,681 3.555,682 3.555,683 3.434,684 3.045,685 5.589,686 0.589,687 274.4,688 3.045,689 4.533,690 5.313,691 6.138,692 6.942,693 7.77,694 8.583,695 9.413,696 10.23,697 11.062,698 4.8,701 1,705 1,715 4,720 2,722 6,737 1,741 42,743 8,744 1,745 20,747 42,748 16,749 6,750 2,751 4,756 1,757 1,763 1,770 2,771 2,772 7,773 7,777 1,782 1,786 1,790 1,793 22,794 4,796 4,802 2,808 1,809 2,829 1,836 1,837 1,855 1,859 1,864 4,868 20,876 2,878 1,880 1,881 2,885 1,886 1,891 1,893 4.8,896 1,898 1,901 12,902 8.733,903 4.639,904 2.331,907 1.406,908 1.241,909 0.887,910 6.404,911 7.246,912 3.296,913 3.701,914 4.03,915 4.42,916 4.839,917 4.852,918 5.03,919 5.262,920 5.131,921 4.826,922 1,923 26,924 7.343,926 2.82,927 0.026,929 7.817,931 13.939,933 10.334,936 2.317,937 46.333,938 0.001,941 258.964,942 132.103,943 6.249,945 36.145,948 132.103,949 295.109,950 6.249,951 34.014,952 7.765,953 37.905,954 25.145,955 22.553,956 58.885,957 247.193,959 258.964,960 138.352,961 36.145,964 200.109,965 95,968 19.714,969 101.607,970 17.031,972 258.964,973 42.393,974 132.103,977 258.964,978 19.832,979 78.168,980 17.031,981 59.466,982 258.964,983 42.393,984 132.103,986 0.568,987 0.315,988 0.14,989 0.074,990 9,991 6,992 0.143,993 6,995 1,996 3.132,997 129.727,999 6,1000 82.439,1005 16.392,1006 7.813,1007 5.478,1009 42.393,1010 7.58,1015 1.679,1018 433.461,1019 26,1024 11.512,1028 -0.375,1031 41.694,1032 47.567,1034 0.267,1035 0.602,1036 0.791,1037 0.863,1038 0.863,1039 0.863,1040 4.516,1041 0.748,1042 5.293,1043 2.272,1044 3.97,1045 4.382,1046 2.511,1047 6.009,1048 3.874,1049 5.691,1050 -0.197,1051 6.815,1052 1.259,1053 3.611,1054 4.06,1055 1.905,1056 6.749,1057 3.438,1058 6.957,1059 -0.26,1060 8.432,1061 -0.473,1062 5.485,1063 6.327,1064 3.582,1065 9.73,1066 5.281,1067 8.246,1068 -0.593,1069 10.099,1070 -0.676,1071 5.861,1072 6.715,1073 3.673,1074 11.182,1075 5.573,1076 9.556,1077 -1,1078 11.795,1079 -0.919,1080 7.255,1081 8.546,1082 4.969,1083 13.681,1084 6.945,1085 10.881,1086 -1,1087 13.509,1088 -2,1089 7.958,1090 9.282,1091 5.375,1092 15.443,1093 7.567,1094 12.217,1095 -1,1096 15.235,1097 -2.388,1098 9.149,1099 10.914,1100 6.461,1101 17.738,1102 8.734,1103 2.835,1104 -1.373,1105 16.97,1106 -2.69,1107 10.008,1108 11.848,1109 7.029,1110 19.656,1111 9.521,1112 2.706,1113 8.361,1114 18.71,1115 -3.251,1116 11.106,1117 13.368,1118 7.995,1119 21.855,1120 10.591,1121 2.47,1122 7.903,1123 20.455,1124 3.692,1125 12.043,1126 14.427,1127 8.655,1128 23.856,1129 11.464,1130 1.979,1131 7.043,1132 22.204,1133 3.045,1134 13.099,1135 15.877,1136 9.55,1137 26.007,1138 12.488,1139 1.429,1140 5.679,1141 23.956,1142 2.754,1143 14.076,1144 17.018,1145 10.263,1146 28.054,1147 13.409,1148 1.207,1149 3.265,1150 25.709,1151 2.462,1152 15.113,1153 18.42,1154 11.116,1155 30.182,1156 14.411,1157 1,1158 2.645,1159 27.465,1160 1.891,1161 16.112,1162 19.616,1163 11.862,1164 32.255,1165 15.359,1166 3599,1167 5989,1168 12.137,1169 26.534,1170 30.155,1171 30.563,1172 30.41,1173 28.786,1174 28.75,1175 35.453,1176 8.59,1177 76.854,1178 27.413,1179 4.997,1180 5.762,1181 5.706,1182 4.842,1183 4.835,1184 6.692,1185 3.912,1186 14.472,1187 4.727,1188 13.556,1189 1.508,1190 1.528,1191 1.521,1192 1.439,1193 1.437,1194 1.773,1195 0.429,1196 3.843,1197 1.371,1198 3.954,1199 3.985,1200 3.889,1201 3.874,1202 7.433,1203 3.873,1204 3.712,1205 3.773,1206 3.608,1207 3.547,1208 5.43,1209 3.551,1210 3.612,1211 3.68,1212 3.515,1213 3.339,1214 4.812,1215 3.371,1216 3.379,1217 3.439,1218 3.245,1219 3.275,1220 4.317,1221 3.262,1222 3.106,1223 3.198,1224 2.941,1225 2.905,1226 4.246,1227 2.893,1228 3.052,1229 3.092,1230 2.857,1231 2.805,1232 4.058,1233 2.81,1234 2.943,1235 3.021,1236 2.716,1237 2.773,1238 3.811,1239 2.753,1240 2.874,1241 3.009,1242 2.598,1243 2.618,1244 3.627,1245 2.57,1246 0.206,1247 0.188,1248 0.297,1249 0.19,1250 0.142,1251 4.125,1252 0.185,1253 3.762,1254 0.11,1255 5.937,1256 0.418,1257 3.794,1258 0.136,1259 2.835,1260 3.692,1261 2.208,1262 8.361,1263 2.727,1264 1.924,1265 1.898,1266 2.054,1267 2.032,1268 1.289,1269 2.039,1270 1.675,1271 1.615,1272 1.876,1273 1.88,1274 1.006,1275 1.878,1276 1.514,1277 1.44,1278 1.782,1279 1.799,1280 0.834,1281 1.797,1282 1.402,1283 1.348,1284 1.656,1285 1.56,1286 0.753,1287 1.597,1288 1.123,1289 1.027,1290 1.489,1291 1.363,1292 0.497,1293 1.411,1294 1.004,1295 0.932,1296 1.417,1297 1.268,1298 0.494,1299 1.308,1300 0.934,1301 0.881,1302 1.355,1303 1.239,1304 0.469,1305 1.28,1306 0.924,1307 0.804,1308 1.137,1309 1.188,1310 0.171,1311 1.181,1312 3.714,1314 4.977,1316 6.415,1318 7.929,1320 9.481,1322 7.433,1328 1.474,1330 5.247,1332 0.325,1333 3.508,1337 5.314,1339 2.635,1340 24.74,1341 60.37,1342 136.236,1343 179.193,1344 195.458,1345 195.458,1346 195.458,1347 43.677,1348 5.841,1349 32.78,1350 32.78,1351 6,1352 11.637,1353 3.17,1354 2.807,1355 49.63,1356 66,1357 68,1358 0.374,1359 160.871,1360 285.84,1361 384.286,1362 2000,1364 15.121,1365 0.756,1366 0.629,1367 15.121,1368 12.589,1369 9.435,1370 0.472,1371 0.328,1372 6.442,1373 9.021,1374 6.079,1375 5.216,1376 9.435,1377 6.555,1378 8.335,1379 0.321,1380 0.195,1381 8.335,1382 5.082,1383 6.155,1384 0.212,1385 0.107,1386 6.155,1387 3.093,1388 4.126,1389 0.133,1390 0.056,1391 4.126,1392 1.725,1393 3.014,1394 0.086,1395 0.031,1396 3.014,1397 1.074,1398 0.586,1399 59.406,1400 0.287,1401 20.167,1402 1.02,1403 92,1404 282.761,1405 102.583,1406 272.938,1407 357.66,1408 252,1409 101,1410 250.134,1411 111.31,1412 258.515,1413 363.39,1414 235,1415 5.785}
{0 CHEMBL147025,1 1.561,2 7.333,3 2.58,4 6.658,5 68.817,6 6.898,7 0.263,8 3.678,9 3.807,10 3.175,11 3.101,12 4.822,13 3.088,14 4.223,15 4.422,16 3.494,17 3.493,18 5.164,19 3.458,20 4.455,21 4.671,22 3.48,23 3.626,24 5.414,25 3.537,26 4.5,27 4.745,28 3.369,29 3.55,30 5.486,31 3.434,32 4.4,33 4.68,34 3.238,35 3.392,36 5.391,37 3.29,38 4.278,39 4.53,40 3.162,41 3.367,42 5.296,43 3.269,44 4.126,45 4.368,46 3.065,47 3.344,48 5.054,49 3.215,50 4.112,51 4.391,52 2.708,53 3.122,54 5.098,55 2.945,56 0.078,57 0.519,58 8.407,59 2.989,60 17.144,61 4.37,62 0.239,63 0.799,64 15.519,65 4.763,66 18.939,67 7.153,68 0.246,69 0.906,70 19.821,71 6.703,72 29.66,73 9.618,74 0.396,75 0.888,76 21.35,77 6.207,78 38.528,79 9.656,80 0.312,81 0.772,82 19.604,83 5.126,84 41.45,85 8.351,86 0.428,87 0.695,88 17.459,89 5.061,90 46.914,91 7.559,92 0.106,93 0.693,94 13.902,95 4.8,96 20.253,97 7.413,98 0.142,99 0.588,100 14.265,101 4.183,102 28.792,103 6.783,104 15,105 26,106 0.289,107 0.623,108 0.757,109 0.808,110 0.818,111 0.818,112 2.96,113 0.969,114 -2.72,115 -2.73,116 -2.65,121 36.1,123 4,126 1,128 1,132 1,142 1,143 1,147 1,153 1,157 1,163 1,172 1,176 4,180 3,182 2,187 5,191 1,192 3,194 1,200 4,205 1,209 1,213 1,214 2,216 3,218 1,229 3,232 3,235 1,244 6,256 3,261 3,274 3,281 346,282 12.259,283 12.259,284 12.259,285 12.259,286 12.259,287 11.147,288 14.822,289 7.169,290 12.656,291 9.189,292 9.189,293 9.189,294 9.189,295 9.189,296 7.646,297 21.248,298 3.121,299 9.803,300 3.609,301 1.802,302 1.077,303 0.799,304 0.743,305 0.743,306 3.609,311 1,312 1,313 270,314 3.082,317 106.719,325 1.111,326 13.887,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 39.5,338 132,339 4.455,340 3.981,341 7.196,342 4.297,343 3.345,344 4.087,345 1.697,346 12.583,347 3.179,348 4.377,349 3.631,350 6.469,351 3.933,352 3.015,353 3.479,354 1.467,355 9.999,356 2.766,357 3.184,358 3.076,359 4.952,360 2.77,361 1.875,362 2.321,363 0.451,364 5.401,365 1.677,366 3.105,367 2.172,368 4.117,369 2.474,370 1.526,371 2.128,373 3.597,374 1.444,375 3.041,376 1.573,377 3.853,378 2.421,379 1.435,380 1.539,382 3.033,383 1.412,384 2.386,385 1.493,386 3.618,387 1.824,388 0.871,389 1.23,391 1.767,392 0.827,393 2.356,394 1.308,395 3.565,396 1.632,397 0.738,398 1.009,400 1.464,401 0.653,402 1.717,403 0.685,404 3.125,405 1.618,406 0.618,407 0.618,409 1.436,410 0.618,411 1.618,412 0.618,413 2.925,414 1.307,415 0.334,416 0.493,418 0.48,419 0.324,420 0.95,421 0.512,422 2.567,423 0.792,424 -0.155,425 -0.168,427 -0.292,428 -0.146,429 0.43,430 -0.124,431 2,432 0.114,433 -0.815,434 -0.936,436 -1.554,437 -0.754,438 0.242,439 -0.606,440 1.822,441 -0.017,442 -0.932,443 -1.09,445 -2.318,446 -0.843,447 0.023,448 -0.753,449 1.416,450 -0.283,451 -1.236,452 -1.488,454 -3.002,455 -1.17,456 -0.253,457 -1.055,458 1.382,459 -0.618,460 -1.563,461 -1.618,463 -4.229,464 -1.442,465 -0.313,466 -1.46,467 0.991,468 -0.637,469 -1.618,470 -1.896,472 -5.173,473 -1.554,474 8.367,475 0.465,476 0.381,477 0.021,478 18.5,479 1.028,480 6.5,481 0.361,482 12,483 0.667,484 14.755,485 0.82,486 20.733,487 0.576,488 12.494,489 0.694,490 3.749,491 0.208,492 4.956,493 0.275,494 0.159,495 0.06,496 0.155,501 0.844,502 1.617,503 0.866,504 1.3,505 0.801,506 1.121,507 1.055,508 0.992,509 0.941,510 0.922,511 0.516,512 0.898,513 1.055,514 1.096,515 1.058,516 1.2,517 0.685,518 1.149,519 0.983,520 1.157,521 1.084,522 1.139,523 0.897,524 1.14,525 1.032,526 0.867,527 0.944,528 0.864,529 1.034,530 0.866,531 1.339,532 0.666,533 1.008,534 0.628,535 1.491,536 0.753,537 0.563,538 1.273,539 1.007,540 1.229,541 0.595,542 1.197,543 0.757,544 1.203,545 1.167,546 1.295,547 0.919,548 1.285,549 4,551 2.444,552 1.361,553 0.82,554 0.42,555 0.33,556 0.207,557 0.087,558 0.025,559 2553,560 6739,561 1.981,562 50,563 4,564 3,565 4,566 2,567 1,569 4,572 1.589,573 1.846,574 2.887,575 -0.225,577 1,578 1,579 1,582 56.198,583 1.561,584 3.368,585 4.093,586 4.371,587 4.427,588 4.427,589 2.261,590 3.572,591 4.144,592 3.03,593 463.579,594 7.041,595 4449.71,596 1,597 1,599 1,600 186.117,601 1.528,602 4.083,603 0.211,605 0.094,606 0.057,607 0.041,608 0.023,609 0.018,610 0.013,611 0.01,612 0.008,613 0.475,614 0.67,615 1,616 1.246,617 76.206,618 0.082,619 -0.323,620 0.062,621 -0.138,622 0.072,623 -0.064,624 -0.035,625 0.174,626 0.029,627 0.102,628 0.025,629 0.085,630 -0.048,631 -0.06,632 -0.1,633 -0.156,634 0.01,635 -0.144,636 0.064,637 -0.184,638 -0.105,639 -0.173,640 -0.078,641 -0.178,642 -0.034,643 0.075,644 0.049,645 0.035,646 -0.002,647 0.065,648 -0.094,649 0.253,650 0.002,651 0.333,652 -0.116,653 0.202,654 -0.027,655 -0.208,656 -0.11,657 -0.171,658 -0.006,659 -0.159,660 -0.063,661 -0.237,662 -0.231,663 -0.347,664 0.001,665 -0.314,666 1.67,667 2.633,668 0.556,669 10.691,670 1.002,671 1.14,672 1.487,673 2.212,674 0.629,675 2.996,676 3.296,677 3.555,678 3.714,679 3.638,680 3.584,681 3.611,682 3.664,683 3.466,684 3.178,685 4.686,686 0.596,687 248.34,688 2.996,689 4.511,690 5.352,691 6.225,692 7.084,693 7.96,694 8.825,695 9.702,696 10.569,697 11.445,698 8.3,706 1,707 1,708 1,715 2,720 1,721 2,722 5,726 1,741 36,743 7,745 19,747 37,748 13,749 3,752 1,756 2,757 2,767 4,768 1,770 4,771 2,772 4,773 7,774 1,777 1,784 1,785 1,790 1,793 18,794 3,795 1,796 5,799 1,802 3,803 1,808 1,809 2,828 2,836 1,837 1,857 1,858 1,859 2,864 1,868 18,875 1,876 5,878 1,882 1,885 1,886 1,891 1,893 5.6,897 1,898 1,901 9.75,902 6.6,903 4.222,904 2.159,907 1.275,908 1.216,909 0.89,910 4.05,911 7.18,912 3.239,913 3.695,914 4.21,915 4.623,916 4.675,917 4.757,918 4.92,919 5.099,920 5.043,921 4.819,922 0.8,923 24,924 6.599,926 2.685,927 0.026,929 7.801,931 12.647,933 10.122,936 2.301,937 41.417,938 0.001,941 200.109,942 92.52,943 17.046,945 53.806,948 92.52,949 253.914,950 17.046,951 8.396,952 14.302,953 9.047,954 47.817,955 67,956 87.436,957 129.482,959 200.109,960 109.566,961 53.806,964 153.024,965 89.89,966 11,968 40.824,969 40.765,970 27.977,972 200.109,973 70.851,974 92.52,977 200.109,978 16.63,979 39.337,980 17.031,981 90.374,982 200.109,983 70.851,984 92.52,986 0.566,987 0.353,988 0.184,989 0.08,990 12,991 5,992 0.108,993 4,995 1,996 3.002,997 122.278,999 10,1000 71.059,1005 13.128,1006 5.553,1007 2.764,1009 67.053,1010 3.744,1015 0.752,1016 3.706,1017 42.806,1018 363.48,1019 24.5,1026 1.376,1027 3.054,1031 36.087,1032 41.028,1034 0.302,1035 0.652,1036 0.792,1037 0.846,1038 0.856,1039 0.856,1040 4.491,1041 0.618,1042 5.371,1043 1.464,1044 3.97,1045 4.376,1046 2.44,1047 6.244,1048 3.843,1049 5.7,1050 0.334,1051 6.984,1052 1.436,1053 3.761,1054 4.182,1056 7.689,1057 3.556,1058 7.025,1059 -0.155,1060 8.72,1061 0.48,1062 5.694,1063 6.487,1064 3.294,1065 10.646,1066 5.436,1067 8.393,1068 -0.815,1069 10.532,1070 -0.292,1071 6.382,1072 7.221,1074 12.868,1075 6.059,1076 9.797,1077 -0.932,1078 12.394,1079 -1.554,1080 7.795,1081 8.947,1082 4.231,1083 15.462,1084 7.418,1085 11.226,1086 -1.236,1087 14.285,1088 -2.318,1089 8.807,1090 10.059,1092 17.892,1093 8.374,1094 12.672,1095 -1.563,1096 16.197,1097 -3.002,1098 10.061,1099 11.578,1100 5.202,1101 20.417,1102 9.574,1103 3.345,1104 -1.618,1105 18.121,1106 -4.229,1107 11.185,1108 12.849,1110 22.906,1111 10.646,1112 3.015,1113 12.583,1114 20.054,1115 -5.173,1116 12.391,1117 14.289,1118 6.194,1119 25.422,1120 11.8,1121 1.875,1122 9.999,1123 21.994,1124 4.087,1125 13.554,1126 15.629,1128 27.932,1129 12.913,1130 1.526,1131 5.401,1132 23.938,1133 3.479,1134 14.747,1135 17.04,1136 7.202,1137 30.45,1138 14.055,1139 1.435,1140 3.597,1141 25.886,1142 2.321,1143 15.926,1144 18.412,1146 32.969,1147 15.186,1148 0.871,1149 3.033,1150 27.837,1151 2.128,1152 17.116,1153 19.814,1154 8.221,1155 35.492,1156 16.327,1157 0.738,1158 1.767,1159 29.79,1160 1.539,1161 18.303,1162 21.2,1164 38.017,1165 17.465,1166 2653,1167 4386,1168 12.307,1169 22.637,1170 29.269,1171 29.571,1172 30.376,1173 27.595,1174 27.513,1175 33.809,1176 7.231,1177 79.52,1178 25.799,1179 5.408,1180 5.827,1181 6.955,1182 5.417,1183 5.345,1184 6.795,1185 3.394,1186 19.137,1187 5.053,1188 8.812,1189 1.54,1190 1.556,1191 1.599,1192 1.452,1193 1.448,1194 1.779,1195 0.381,1196 4.185,1197 1.358,1198 4.036,1199 4.097,1200 3.986,1201 3.834,1202 6.546,1203 3.86,1204 3.876,1205 3.921,1206 3.774,1207 3.753,1208 5.436,1209 3.757,1210 3.296,1211 3.361,1212 3.178,1213 3.152,1214 4.857,1215 3.143,1216 3.25,1217 3.315,1218 3.145,1219 2.953,1220 4.468,1221 2.989,1222 3.173,1223 3.241,1224 3.026,1225 2.946,1226 4.044,1227 2.953,1228 2.893,1229 2.979,1230 2.66,1231 2.671,1232 4.024,1233 2.648,1234 2.869,1235 2.978,1236 2.583,1237 2.664,1238 3.738,1239 2.635,1240 2.568,1241 2.674,1242 2.326,1243 2.362,1244 3.209,1245 2.334,1246 0.234,1247 0.21,1248 0.379,1249 0.226,1250 0.176,1251 4.455,1252 0.215,1253 3.981,1254 0.089,1255 7.196,1256 0.662,1257 4.297,1258 0.167,1259 3.345,1260 4.087,1261 1.697,1262 12.583,1263 3.179,1264 1.698,1265 1.664,1266 1.86,1267 1.93,1268 1.211,1269 1.898,1270 1.615,1271 1.552,1272 1.844,1273 1.826,1274 1.145,1275 1.82,1276 1.577,1277 1.507,1278 1.79,1279 1.751,1280 0.917,1281 1.793,1282 1.516,1283 1.452,1284 1.689,1285 1.707,1286 0.825,1287 1.712,1288 1.056,1289 0.98,1290 1.343,1291 1.419,1292 0.359,1293 1.383,1294 1.015,1295 0.952,1296 1.269,1297 1.168,1298 0.314,1299 1.207,1300 0.882,1301 0.79,1302 1.246,1303 1.158,1304 0.094,1305 1.197,1306 0.45,1307 0.364,1308 0.883,1309 0.894,1311 0.868,1312 3.664,1314 4.963,1315 3.045,1316 6.46,1317 5.352,1318 8.043,1319 7.38,1320 9.668,1322 1.875,1327 8.633,1328 4.441,1330 5.896,1334 -0.42,1337 5.579,1339 2.781,1340 21.445,1341 56.198,1342 121.257,1343 147.362,1344 157.362,1345 159.362,1346 159.362,1347 28.652,1348 5.905,1349 50.63,1350 50.63,1351 10,1352 11.985,1353 3,1354 2.7,1355 30.946,1356 51,1357 47,1358 0.311,1359 135.886,1360 236.54,1361 323.322,1362 2133,1364 13.01,1365 0.723,1366 0.589,1367 13.01,1368 10.595,1369 8.705,1370 0.458,1371 0.323,1372 6.017,1373 8.215,1374 5.872,1375 4.896,1376 8.705,1377 6.14,1378 7.367,1379 0.283,1380 0.181,1381 7.367,1382 4.716,1383 6.411,1384 0.189,1385 0.105,1386 6.411,1387 3.567,1388 4.979,1389 0.124,1390 0.061,1391 4.979,1392 2.437,1393 3.2,1394 0.086,1395 0.032,1396 3.2,1397 1.167,1398 0.475,1399 55.631,1400 0.285,1401 17.981,1402 0.886,1403 90,1404 261.508,1405 101.364,1406 250.287,1407 334.58,1408 232,1409 105,1410 246.678,1411 117.337,1412 247.039,1413 351.19,1414 229,1415 4.616}
{0 CHEMBL147031,1 1.392,2 11.227,3 4.557,4 20.764,5 89.535,6 6.301,7 0.273,8 3.9,9 4.04,10 3.297,11 3.376,12 4.944,13 3.322,14 4.446,15 4.666,16 3.557,17 3.7,18 5.423,19 3.607,20 4.678,21 4.923,22 3.587,23 3.838,24 5.585,25 3.716,26 4.788,27 5.054,28 3.56,29 3.828,30 5.716,31 3.7,32 4.689,33 4.942,34 3.539,35 3.796,36 5.668,37 3.68,38 4.618,39 4.847,40 3.468,41 3.769,42 5.652,43 3.634,44 4.634,45 4.908,46 3.256,47 3.666,48 5.531,49 3.51,50 4.349,51 4.59,52 3.17,53 3.53,54 5.329,55 3.373,56 0.044,57 0.643,58 11.358,59 4.445,60 10.105,61 6.407,62 0.362,63 0.971,64 20.053,65 6.733,66 30.061,67 10.17,68 0.203,69 1.14,70 24.924,71 8.624,72 30.618,73 12.787,74 0.339,75 1.155,76 28.151,77 9.092,78 50.962,79 13.385,80 0.31,81 1.1,82 25.555,83 8.254,84 44.939,85 12.219,86 0.263,87 1.046,88 23.6,89 8.389,90 44.956,91 12.09,92 0.343,93 0.968,94 24.049,95 7.883,96 48.864,97 11.511,98 0.209,99 0.819,100 17.771,101 6.691,102 31.109,103 9.633,104 47,105 27,106 0.242,107 0.585,108 0.817,109 0.883,110 0.883,111 0.883,112 3.145,113 1.057,114 -4.25,115 -4.19,116 -3.96,121 37.5,122 2,123 3,126 1,127 2,129 1,142 1,143 1,144 4,145 1,146 1,161 1,176 8,179 3,180 3,185 3,187 8,192 3,197 2,200 4,206 9,211 2,214 5,219 6,224 1,227 4,232 7,235 1,237 1,239 6,251 7,256 3,259 2,264 8,269 1,277 5,281 728,282 14.637,283 14.637,284 14.637,285 14.637,286 14.637,287 13.577,288 18.644,289 9.297,290 14.933,291 10.798,292 10.798,293 10.798,294 10.798,295 10.798,296 9.102,297 21.274,298 4.358,299 11.245,300 4.193,301 2.217,302 0.881,303 0.506,304 0.506,305 0.506,306 3.786,311 1,312 1,313 478,314 4.243,318 86.288,325 1.793,326 18.198,328 1,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 47,338 247,339 4.124,340 3.774,341 5.934,342 3.768,343 2.821,344 3.691,345 2.208,346 8.331,347 2.693,348 3.862,349 2.935,350 5.61,351 3.596,352 2.633,353 3.069,354 0.867,355 7.639,356 2.495,357 3.535,358 2.665,359 5.155,360 3.263,361 2.31,362 2.613,363 0.655,364 6.386,365 2.199,366 3.402,367 2.405,368 4.708,369 2.861,370 1.908,371 2.257,372 0.13,373 5.181,374 1.811,375 3.069,376 2.191,377 3.97,378 2.553,379 1.559,380 1.895,382 3.426,383 1.542,384 2.724,385 1.967,386 3.499,387 2.35,388 1.368,389 1.737,391 2.654,392 1.341,393 2.639,394 1.366,395 3.354,396 2.184,397 1.194,398 1.651,400 2.441,401 1.18,402 2.175,403 1.272,404 3.205,405 1.977,406 1,407 1.113,409 2.005,410 0.963,411 1.8,412 0.681,413 2.686,414 1.205,415 0.245,416 0.331,418 0.401,419 0.234,420 1.192,421 0.479,422 2.563,423 1.084,424 0.113,425 0.114,427 0.174,428 0.109,429 1.12,430 0.241,431 2,432 0.776,433 -0.211,434 -0.264,436 -0.481,437 -0.206,438 1.009,439 -0.019,440 2,441 0.706,442 -0.272,443 -0.334,445 -0.681,446 -0.263,447 0.482,448 -0.373,449 1.652,451 -1,452 -1,454 -1.802,455 -0.946,456 0.366,457 -0.58,458 1.555,459 -0.001,460 -1,461 -1.192,463 -1.802,464 -0.971,465 0.218,466 -0.776,467 1.312,468 -0.026,469 -1,470 -1.339,472 -2.397,473 -0.984,474 10.467,475 0.476,476 0.438,477 0.02,478 23,479 1.045,480 10,481 0.455,482 13,483 0.591,484 19.52,485 0.887,486 25.533,487 0.532,488 16.488,489 0.749,490 4.541,491 0.206,492 6.021,493 0.274,494 0.223,496 0.229,501 0.82,502 1.529,503 0.985,504 1.329,505 0.666,506 1.194,507 0.702,508 1.068,509 0.974,510 1.021,511 0.471,512 1.016,513 1.03,514 1.146,515 1.016,516 1.129,517 0.744,518 1.072,519 1.516,520 0.94,521 0.987,522 0.891,523 1.366,524 0.884,525 1.526,526 0.931,527 1.06,528 0.898,529 1.421,530 0.918,531 1.208,532 1.213,533 1.159,534 1.238,535 1.391,536 1.207,537 1.643,538 0.761,539 1.091,540 0.784,541 1.526,542 0.867,543 0.783,544 1.146,545 1.108,546 1.233,547 0.9,548 1.223,549 4.5,550 0.078,551 1.778,552 1.375,553 0.942,554 0.514,555 0.345,556 0.24,557 0.189,558 0.121,559 4580,560 10850,561 1.873,562 54.2,563 5,564 12,565 1,567 1,569 7,572 1.643,573 1.737,574 3.466,575 -0.354,582 66.808,583 1.392,584 3.367,585 4.704,586 5.079,587 5.079,588 5.079,589 2.936,590 4.278,591 4.423,592 3.582,593 827.433,594 7.594,595 9613.46,597 1,600 268.078,601 1.449,602 4.374,603 0.205,604 0.008,605 0.066,606 0.051,607 0.036,608 0.02,609 0.015,610 0.013,611 0.011,612 0.009,613 0.433,614 0.33,615 1,616 2.464,617 103.861,618 0.004,619 -0.234,620 0.029,621 -0.129,622 -0.022,623 -0.059,624 0.323,625 0.076,626 0.044,627 0.007,628 0.183,629 -0.003,630 -0.031,631 -0.102,632 -0.022,633 -0.117,634 0.017,635 -0.07,636 -0.119,637 -0.006,638 0.037,639 0.059,640 -0.072,641 0.064,642 -0.165,643 0.066,644 -0.029,645 0.068,646 -0.129,647 0.042,648 -0.02,649 -0.191,650 -0.151,651 -0.207,652 -0.115,653 -0.2,654 -0.229,655 0.151,656 -0.071,657 0.156,658 -0.195,659 0.072,660 0.095,661 -0.112,662 -0.138,663 -0.19,664 0.04,665 -0.199,666 1.982,667 4.962,668 0.273,669 21.736,670 0.989,671 1.133,672 3.019,673 9.113,674 0.626,675 3.135,676 3.332,677 3.434,678 3.555,679 3.664,680 3.611,681 3.611,682 3.664,683 3.526,684 3.367,685 6.371,686 0.579,687 302.46,688 3.135,689 4.595,690 5.361,691 6.172,692 6.963,693 7.784,694 8.586,695 9.412,696 10.22,697 11.05,698 4.2,700 1,705 1,715 4,720 2,722 6,737 1,741 48,743 8,744 1,745 22,747 48,748 18,749 6,750 2,751 4,756 1,757 1,763 2,770 4,771 2,772 7,773 9,777 1,782 1,786 1,790 1,793 26,794 4,795 1,796 4,802 2,808 1,809 2,829 1,836 1,837 1,853 1,859 1,864 3,868 22,876 5,877 1,878 1,880 1,881 1,885 1,886 1,891 1,893 4.2,896 1,898 1,901 12.667,902 9.283,903 5.278,904 3.072,907 1.386,908 1.23,909 0.893,910 8.465,911 7.407,912 3.367,913 3.726,914 4.047,915 4.444,916 4.862,917 4.871,918 5.026,919 5.283,920 5.124,921 5.083,922 0.875,923 27,924 8.119,926 3.123,927 0.026,929 7.742,931 15.607,933 11.696,936 2.242,937 49.333,940 1,941 294.278,942 131.31,943 21.135,945 36.145,948 131.31,949 330.422,950 21.135,951 26.047,952 14.939,953 55.916,954 25.145,955 19.429,956 58.885,957 282.506,959 294.278,960 152.445,961 36.145,964 211.88,965 118.543,968 50.6,969 84.814,970 17.031,972 294.278,973 57.28,974 131.31,977 294.278,978 27.007,979 67.076,980 35.041,981 59.466,982 294.278,983 57.28,984 131.31,986 0.544,987 0.296,988 0.147,989 0.082,990 8,991 5,992 0.188,993 9,995 1,996 3.424,997 144.539,999 6,1000 98.107,1005 18.387,1006 10.129,1007 7.26,1009 57.28,1010 7.623,1015 1.688,1017 18.011,1018 482.868,1019 28,1024 11.962,1028 -0.316,1031 47.461,1032 54.398,1034 0.249,1035 0.603,1036 0.842,1037 0.909,1038 0.909,1039 0.909,1040 4.559,1041 1,1042 5.293,1043 2.441,1044 4.007,1045 4.407,1046 2.458,1047 5.964,1048 3.926,1049 5.698,1050 0.245,1051 6.77,1052 2.005,1053 3.434,1054 3.951,1055 1.847,1056 6.581,1057 3.287,1058 6.942,1059 0.113,1060 8.345,1061 0.401,1062 5.46,1063 6.316,1064 3.56,1065 9.607,1066 5.28,1067 8.211,1068 -0.211,1069 9.975,1070 0.174,1071 5.673,1072 6.64,1073 3.656,1074 10.997,1075 5.417,1076 9.508,1077 -0.272,1078 11.64,1079 -0.481,1080 7.163,1081 8.521,1082 4.961,1083 13.515,1084 6.884,1085 10.823,1086 -1,1087 13.328,1088 -0.681,1089 7.763,1090 9.234,1091 5.37,1092 15.247,1093 7.408,1094 12.152,1095 -1,1096 15.032,1097 -1.802,1098 9.007,1099 10.891,1100 6.459,1101 17.549,1102 8.628,1103 2.821,1104 -1,1105 16.747,1106 -1.802,1107 9.807,1108 11.82,1109 7.028,1110 19.454,1111 9.356,1112 2.633,1113 8.331,1114 18.471,1115 -2.397,1116 10.932,1117 13.352,1118 7.994,1119 21.654,1120 10.454,1121 2.31,1122 7.639,1123 20.202,1124 3.691,1125 11.835,1126 14.412,1127 8.654,1128 23.65,1129 11.292,1130 1.908,1131 6.386,1132 21.938,1133 3.069,1134 12.903,1135 15.868,1136 9.549,1137 25.8,1138 12.327,1139 1.559,1140 5.181,1141 23.679,1142 2.613,1143 13.861,1144 17.01,1145 10.263,1146 27.846,1147 13.225,1148 1.368,1149 3.426,1150 25.423,1151 2.257,1152 14.902,1153 18.416,1154 11.116,1155 29.973,1156 14.23,1157 1.194,1158 2.654,1159 27.171,1160 1.895,1161 15.889,1162 19.612,1163 11.862,1164 32.045,1165 15.162,1166 4936,1167 7706,1168 13.811,1169 30.057,1170 31.753,1171 31.944,1172 32.279,1173 30.322,1174 30.301,1175 36.942,1176 7.72,1177 77.276,1178 29.14,1179 5.029,1180 5.774,1181 5.798,1182 4.838,1183 4.821,1184 6.691,1185 3.912,1186 14.428,1187 4.693,1188 13.427,1189 1.443,1190 1.452,1191 1.467,1192 1.378,1193 1.377,1194 1.679,1195 0.351,1196 3.513,1197 1.325,1198 3.953,1199 3.983,1200 3.888,1201 3.873,1202 7.433,1203 3.871,1204 3.74,1205 3.808,1206 3.619,1207 3.564,1208 5.432,1209 3.559,1210 3.662,1211 3.726,1212 3.541,1213 3.508,1214 4.813,1215 3.508,1216 3.47,1217 3.536,1218 3.328,1219 3.288,1220 4.316,1221 3.28,1222 3.375,1223 3.435,1224 3.237,1225 3.215,1226 4.251,1227 3.226,1228 3.071,1229 3.117,1230 2.914,1231 2.84,1232 4.119,1233 2.844,1234 2.965,1235 3.072,1236 2.76,1237 2.791,1238 3.948,1239 2.777,1240 2.942,1241 3.021,1242 2.66,1243 2.733,1244 3.696,1245 2.701,1246 0.187,1247 0.172,1248 0.27,1249 0.171,1250 0.128,1251 4.124,1252 0.168,1253 3.774,1254 0.1,1255 5.934,1256 0.379,1257 3.768,1258 0.122,1259 2.821,1260 3.691,1261 2.208,1262 8.331,1263 2.693,1264 1.922,1265 1.897,1266 2.051,1267 2.028,1268 1.271,1269 2.035,1270 1.716,1271 1.648,1272 1.978,1273 1.923,1274 1.265,1275 1.94,1276 1.637,1277 1.576,1278 1.848,1279 1.827,1280 0.974,1281 1.838,1282 1.42,1283 1.362,1284 1.706,1285 1.683,1286 0.83,1287 1.695,1288 1.394,1289 1.326,1290 1.636,1291 1.548,1292 0.687,1293 1.583,1294 1.031,1295 0.957,1296 1.455,1297 1.304,1298 0.577,1299 1.358,1300 1.003,1301 0.91,1302 1.356,1303 1.263,1304 0.497,1305 1.281,1306 0.925,1307 0.87,1308 1.145,1309 1.191,1310 0.202,1311 1.192,1312 3.807,1314 5.03,1316 6.431,1318 7.918,1320 9.451,1322 5.931,1328 4.124,1329 3.23,1330 5.411,1332 0.272,1333 1.604,1337 5.237,1339 2.565,1340 27.794,1341 66.808,1342 161.64,1343 225.814,1344 243.814,1345 243.814,1346 243.814,1347 54.975,1348 6.021,1349 41.57,1350 41.57,1351 6,1352 11.628,1353 3.17,1354 2.807,1355 58.131,1356 82,1357 90,1358 0.346,1359 180.056,1360 320.44,1361 431.096,1362 2673,1364 16.372,1365 0.744,1366 0.626,1367 16.372,1368 13.763,1369 10.562,1370 0.48,1371 0.352,1372 7.655,1373 10.193,1374 7.343,1375 6.274,1376 10.562,1377 7.752,1378 8.714,1379 0.323,1380 0.203,1381 8.714,1382 5.481,1383 6.367,1384 0.212,1385 0.112,1386 6.367,1387 3.357,1388 4.639,1389 0.136,1390 0.061,1391 4.639,1392 2.06,1393 3.493,1394 0.092,1395 0.034,1396 3.493,1397 1.308,1398 0.552,1399 65.88,1400 0.269,1401 22.261,1402 0.919,1403 98,1404 283.449,1405 108.555,1406 273.807,1407 361.64,1408 254,1409 106,1410 254.782,1411 115.81,1412 259.599,1413 368.34,1414 240,1415 4.914}
{0 CHEMBL147033,1 1.461,2 9.2,3 3.41,4 11.629,5 78.824,6 6.809,7 0.286,8 3.756,9 3.883,10 3.24,11 3.257,12 4.834,13 3.224,14 4.307,15 4.507,16 3.558,17 3.629,18 5.334,19 3.566,20 4.54,21 4.745,22 3.601,23 3.798,24 5.526,25 3.699,26 4.682,27 4.933,28 3.444,29 3.751,30 5.622,31 3.622,32 4.481,33 4.738,34 3.362,35 3.629,36 5.404,37 3.502,38 4.325,39 4.55,40 3.254,41 3.516,42 5.341,43 3.393,44 4.278,45 4.538,46 3.084,47 3.38,48 5.217,49 3.247,50 4.085,51 4.322,52 2.937,53 3.19,54 5.147,55 3.066,56 0.023,57 0.557,58 8.992,59 3.668,60 8.392,61 5.072,62 0.34,63 0.878,64 16.859,65 5.814,66 26.758,67 8.44,68 0.131,69 1.053,70 21.068,71 8.012,72 26.968,73 11.221,74 0.357,75 1.074,76 25.741,77 8.558,78 54.385,79 12.065,80 0.187,81 0.931,82 20.483,83 7.303,84 32.077,85 10.547,86 0.197,87 0.813,88 17.307,89 6.328,90 29.59,91 8.963,92 0.187,93 0.738,94 16.882,95 5.769,96 30.29,97 8.329,98 0.239,99 0.616,100 13.958,101 4.626,102 31.161,103 6.571,104 29,105 28,106 0.263,107 0.625,108 0.795,109 0.843,110 0.843,111 0.843,112 3.057,113 0.968,114 -3.77,115 -3.73,116 -3.55,121 40,123 3,126 2,127 1,129 1,142 1,143 1,144 3,145 2,146 1,161 1,176 8,179 3,180 2,185 3,187 10,192 2,197 3,200 8,206 6,211 2,214 5,219 5,224 1,227 4,232 5,235 1,237 1,239 4,244 2,251 3,256 3,259 2,264 2,269 1,277 1,281 504,282 13.301,283 13.301,284 13.301,285 13.301,286 13.301,287 12.239,288 19.133,289 8.058,290 13.587,291 10.327,292 10.327,293 10.327,294 10.327,295 10.327,296 8.56,297 22.033,298 3.803,299 10.76,300 3.861,301 1.853,302 0.907,303 0.638,304 0.638,305 0.638,306 3.716,310 1,311 1,312 1,313 371,314 3.464,318 103.052,322 88.009,325 1.54,326 17.217,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 43,338 184,339 4.301,340 3.763,341 6.223,342 3.965,343 2.978,344 3.926,345 2.208,346 9.393,347 2.944,348 3.901,349 3.18,350 5.801,351 3.617,352 2.686,353 3.127,354 0.867,355 7.808,356 2.477,357 3.557,358 2.687,359 5.286,360 3.315,361 2.354,362 2.731,363 0.655,364 6.749,365 2.259,366 3.468,367 2.512,368 5.144,369 3.034,370 2.081,371 2.399,372 0.13,373 6.161,374 1.976,375 3.248,376 2.167,377 4.406,378 2.576,379 1.579,380 2.04,382 4.321,383 1.573,384 2.877,385 1.978,386 3.544,387 2.393,388 1.414,389 1.899,391 2.678,392 1.382,393 2.324,394 1.836,395 3.453,396 2.019,397 1.069,398 1.23,400 2.422,401 0.998,402 2.037,403 1.01,404 3.263,405 1.771,406 0.776,407 0.919,409 1.78,410 0.769,411 1.814,412 0.669,413 2.627,414 1.255,415 0.293,416 0.393,418 0.496,419 0.281,420 1.205,421 0.536,422 2.55,423 0.844,424 -0.126,425 -0.155,427 -0.314,428 -0.12,429 0.877,430 -0.186,431 2.263,432 0.546,433 -0.438,434 -0.542,436 -0.989,437 -0.43,438 0.607,439 -0.208,440 2.144,441 0.25,442 -0.745,443 -0.889,445 -1.993,446 -0.732,447 0.369,448 -0.6,449 1.873,450 -0.012,451 -1,452 -1,454 -2,455 -0.9,456 0.09,457 -0.635,458 1.453,459 -0.1,460 -1,461 -1.362,463 -2.152,464 -0.986,466 -0.738,467 1.294,468 -0.159,469 -1.152,470 -1.47,472 -3.368,473 -1.14,474 9.467,475 0.473,476 0.489,477 0.024,478 22.5,479 1.125,480 10,481 0.5,482 12.5,483 0.625,484 15.955,485 0.798,486 22.333,487 0.558,488 15.57,489 0.779,490 4.565,491 0.228,492 5.031,493 0.252,494 0.194,496 0.306,501 0.803,502 1.442,503 0.875,504 1.22,505 0.627,506 1.076,507 0.701,508 0.889,509 0.904,510 0.87,511 0.454,512 0.89,513 0.946,514 1.243,515 1.056,516 1.258,517 0.695,518 1.185,519 1.503,520 0.904,521 1.104,522 0.906,523 1.379,524 0.954,525 0.914,526 0.984,527 0.91,528 0.966,529 0.909,530 0.943,531 0.971,532 1.143,533 1.09,534 1.169,535 1.075,536 1.157,537 1.124,538 0.96,539 0.998,540 0.952,541 1.182,542 0.96,543 1.256,544 0.975,545 1.175,546 1.055,547 1.467,548 1.103,549 4.5,550 0.05,551 2,552 0.875,553 1.067,554 0.542,555 0.424,556 0.286,557 0.181,558 0.107,559 3523,560 9275,561 1.966,562 50,563 2,564 12,565 1,567 1,569 4,572 1.617,573 1.818,574 3.21,575 -0.32,577 1,579 1,582 58.439,583 1.461,584 3.469,585 4.415,586 4.684,587 4.684,588 4.684,589 2.709,590 3.746,591 4.286,592 3.325,593 631.717,594 7.322,595 6531.63,596 1,597 1,598 1,599 1,600 212.877,601 1.485,602 4.237,603 0.214,604 0.01,605 0.071,606 0.031,607 0.046,608 0.025,609 0.022,610 0.018,611 0.014,612 0.012,613 0.464,614 0.67,615 1,616 1.677,617 89.337,618 -0.014,619 -0.214,620 0.048,621 -0.103,622 -0.018,623 -0.032,624 0.282,625 0.249,626 0.069,627 0.13,628 0.17,629 0.085,630 -0.044,631 -0.201,632 -0.107,633 -0.222,634 0.028,635 -0.178,636 -0.2,637 0.01,638 -0.091,639 0.049,640 -0.147,641 -0.001,642 -0.034,643 -0.029,644 0.054,645 0.019,646 -0.032,647 0.045,648 0.002,649 -0.147,650 -0.127,651 -0.162,652 -0.138,653 -0.167,654 -0.097,655 -0.022,656 -0.015,657 0.011,658 -0.127,659 0.01,660 -0.009,661 0.007,662 -0.169,663 -0.106,664 -0.077,665 -0.16,666 2.025,667 4.555,668 0.5,669 17.16,670 0.995,671 1.129,672 2.538,673 6.441,674 0.644,675 3.091,676 3.367,677 3.555,678 3.738,679 4.007,680 4.043,681 4.143,682 4.263,683 4.234,684 3.951,685 5.431,686 0.605,687 272.38,688 3.091,689 4.595,690 5.407,691 6.256,692 7.096,693 7.953,694 8.804,695 9.666,696 10.524,697 11.389,698 5,700 1,705 1,715 3,720 3,722 6,737 1,741 40,743 8,744 1,745 21,747 41,748 16,749 6,750 3,751 3,756 2,757 3,767 4,770 4,771 2,772 7,773 7,777 1,782 1,786 1,789 1,790 1,793 20,794 4,795 1,796 4,802 2,808 0.5,809 2,829 2,833 1,836 1,837 1,853 1,859 1,864 2,868 20,876 4,877 1,878 1,880 1,881 1,885 1,886 1,891 1,893 5,896 1,898 1,901 11,902 7.7,903 4.556,904 2.332,907 1.483,908 1.231,909 0.928,910 4.917,911 7.895,912 3.332,913 3.773,914 4.178,915 4.609,916 5.132,917 5.283,918 5.54,919 5.832,920 5.879,921 5.65,922 1,923 28,924 7.372,926 2.977,927 0.026,929 7.775,931 14.15,933 11.202,936 2.275,937 45.5,938 0.001,941 223.651,942 113.66,943 21.135,945 36.145,948 113.66,949 259.796,950 21.135,951 16.793,952 12.834,953 46.439,954 25.145,955 22.614,956 58.885,957 211.88,959 223.651,960 134.795,961 36.145,964 176.567,965 83.229,968 30.844,969 86.92,970 17.031,972 223.651,973 57.28,974 113.66,977 223.651,978 28.086,979 48.346,980 35.041,981 59.466,982 223.651,983 57.28,984 113.66,986 0.569,987 0.317,988 0.151,989 0.093,990 12,991 6,992 0.098,993 4,994 1,995 1.2,996 3.22,997 139.507,998 0.2,999 10,1000 84.439,1005 14.741,1006 6.671,1007 3.915,1009 57.28,1010 5.862,1015 3.156,1017 18.011,1018 394.591,1019 27,1024 11.555,1028 -0.359,1031 39.811,1032 45.152,1034 0.275,1035 0.652,1036 0.83,1037 0.88,1038 0.88,1039 0.88,1040 4.57,1041 0.776,1042 5.38,1043 2.422,1044 4.043,1045 4.454,1046 2.458,1047 6.129,1048 3.968,1049 5.744,1050 0.293,1051 6.907,1052 1.78,1053 3.611,1054 4.182,1055 1.847,1056 6.905,1057 3.489,1058 7.022,1059 -0.126,1060 8.53,1061 0.496,1062 5.58,1063 6.462,1064 3.56,1065 9.939,1066 5.434,1067 8.326,1068 -0.438,1069 10.207,1070 -0.314,1071 5.916,1072 6.979,1073 3.656,1074 11.485,1075 5.729,1076 9.657,1077 -0.745,1078 11.916,1079 -0.989,1080 7.377,1081 8.779,1082 4.961,1083 14.031,1084 7.175,1085 11.006,1086 -1,1087 13.646,1088 -1.993,1089 8.077,1090 9.682,1091 5.37,1092 15.923,1093 7.846,1094 12.37,1095 -1,1096 15.392,1097 -2,1098 9.319,1099 11.275,1100 6.459,1101 18.28,1102 9.078,1103 2.978,1104 -1.152,1105 17.148,1106 -2.152,1107 10.203,1108 12.382,1109 7.028,1110 20.343,1111 9.943,1112 2.686,1113 9.393,1114 18.914,1115 -3.368,1116 11.347,1117 13.874,1118 7.994,1119 22.623,1120 11.08,1121 2.354,1122 7.808,1123 20.686,1124 3.926,1125 12.323,1126 15.092,1127 8.654,1128 24.772,1129 12.045,1130 2.081,1131 6.749,1132 22.465,1133 3.127,1134 13.424,1135 16.53,1136 9.549,1137 27.021,1138 13.141,1139 1.579,1140 6.161,1141 24.249,1142 2.731,1143 14.449,1144 17.811,1145 10.263,1146 29.213,1147 14.159,1148 1.414,1149 4.321,1150 26.037,1151 2.399,1152 15.533,1153 19.219,1154 11.116,1155 31.451,1156 15.239,1157 1.069,1158 2.678,1159 27.829,1160 2.04,1161 16.583,1162 20.535,1163 11.862,1164 33.664,1165 16.284,1166 3671,1167 6027,1168 13.523,1169 25.773,1170 31.912,1171 32.142,1172 31.573,1173 30.49,1174 30.46,1175 37.327,1176 7.72,1177 83.613,1178 29.319,1179 5.246,1180 5.763,1181 6.086,1182 5.016,1183 4.978,1184 6.926,1185 3.912,1186 15.803,1187 4.944,1188 11.247,1189 1.52,1190 1.531,1191 1.503,1192 1.452,1193 1.45,1194 1.777,1195 0.368,1196 3.982,1197 1.396,1198 4.017,1199 4.048,1200 3.952,1201 3.947,1202 7.433,1203 3.944,1204 3.674,1205 3.726,1206 3.588,1207 3.5,1208 5.432,1209 3.505,1210 3.591,1211 3.659,1212 3.488,1213 3.359,1214 4.802,1215 3.382,1216 3.403,1217 3.457,1218 3.278,1219 3.283,1220 4.338,1221 3.279,1222 3.132,1223 3.203,1224 2.973,1225 2.995,1226 4.199,1227 2.978,1228 2.999,1229 3.022,1230 2.85,1231 2.736,1232 4.016,1233 2.757,1234 2.874,1235 3.009,1236 2.682,1237 2.618,1238 3.693,1239 2.626,1240 2.83,1241 2.907,1242 2.499,1243 2.616,1244 3.605,1245 2.57,1246 0.205,1247 0.179,1248 0.296,1249 0.189,1250 0.142,1251 4.301,1252 0.187,1253 3.763,1254 0.105,1255 6.223,1256 0.447,1257 3.965,1258 0.14,1259 2.978,1260 3.926,1261 2.208,1262 9.393,1263 2.944,1264 1.994,1265 1.968,1266 2.121,1267 2.09,1268 1.435,1269 2.102,1270 1.618,1271 1.569,1272 1.804,1273 1.849,1274 0.947,1275 1.832,1276 1.514,1277 1.445,1278 1.768,1279 1.759,1280 0.833,1281 1.767,1282 1.416,1283 1.362,1284 1.637,1285 1.567,1286 0.791,1287 1.594,1288 1.154,1289 1.086,1290 1.454,1291 1.34,1292 0.663,1293 1.383,1294 0.934,1295 0.85,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.88,1301 0.804,1302 1.127,1303 1.201,1304 0.273,1305 1.149,1306 0.798,1307 0.733,1308 1.057,1309 1.051,1310 0.117,1311 1.072,1312 3.761,1314 5.043,1316 6.521,1318 8.092,1320 9.715,1322 3.334,1328 3.63,1329 3.339,1330 5.293,1332 0.401,1333 1.413,1337 5.273,1339 2.603,1340 24.214,1341 58.439,1342 138.764,1343 176.612,1344 187.367,1345 187.367,1346 187.367,1347 33.245,1348 6.412,1349 41.57,1350 41.57,1351 12,1352 11.937,1353 3.17,1354 2.807,1355 36.476,1356 64,1357 72,1358 0.287,1359 153.478,1360 273.48,1361 366.246,1362 4284,1364 14.535,1365 0.727,1366 0.599,1367 14.535,1368 11.979,1369 9.597,1370 0.457,1371 0.323,1372 6.676,1373 9.225,1374 6.43,1375 5.4,1376 9.597,1377 6.777,1378 8.478,1379 0.303,1380 0.186,1381 8.478,1382 5.218,1383 6.639,1384 0.195,1385 0.102,1386 6.639,1387 3.469,1388 4.855,1389 0.118,1390 0.058,1391 4.855,1392 2.367,1393 4.195,1394 0.078,1395 0.033,1396 4.195,1397 1.801,1398 0.446,1399 60.171,1400 0.272,1401 20.045,1402 0.792,1403 98,1404 285.449,1405 108.222,1406 275.546,1407 367.07,1408 256,1409 111,1410 261.43,1411 120.644,1412 267.44,1413 382.6,1414 247,1415 5.387}
{0 CHEMBL147213,1 1.466,2 8.056,3 2.294,4 5.263,5 72.25,6 6.057,7 0.278,8 3.789,9 3.937,10 3.154,11 3.157,12 4.846,13 3.115,14 4.345,15 4.584,16 3.461,17 3.535,18 5.201,19 3.47,20 4.558,21 4.767,22 3.416,23 3.738,24 5.428,25 3.601,26 4.843,27 5.166,28 3.436,29 3.723,30 5.582,31 3.543,32 4.639,33 4.921,34 3.248,35 3.532,36 5.531,37 3.402,38 4.537,39 4.83,40 3.053,41 3.471,42 5.376,43 3.285,44 4.379,45 4.705,46 2.957,47 3.365,48 5.055,49 3.194,50 4.197,51 4.455,52 2.943,53 3.332,54 5.085,55 3.168,56 0.092,57 0.556,58 10.77,59 3.549,60 16.345,61 5.489,62 0.278,63 0.82,64 18.468,65 5.453,66 20.495,67 8.602,68 0.24,69 0.977,70 22.584,71 7.655,72 24.86,73 11.468,74 0.426,75 0.98,76 28.779,77 7.987,78 38.322,79 13.204,80 0.473,81 0.799,82 24.497,83 6.043,84 43.64,85 9.914,86 0.403,87 0.749,88 21.426,89 6.12,90 44.454,91 9.821,92 0.245,93 0.696,94 17.983,95 4.969,96 20.67,97 8.385,98 0.116,99 0.652,100 15.179,101 5,102 20.593,103 7.863,104 48,105 25,106 0.266,107 0.533,108 0.717,109 0.768,110 0.777,111 0.777,112 2.958,113 1.044,114 -2.81,115 -2.82,116 -2.73,121 31,122 4,123 1,125 1,126 1,128 1,129 1,147 1,153 1,157 1,163 1,172 1,176 4,180 2,182 2,187 7,191 1,192 1,194 1,200 1,205 1,206 3,209 1,213 1,214 3,216 2,218 1,229 1,232 2,235 1,241 3,244 3,256 4,261 2,269 3,274 1,281 368,282 11.232,283 11.232,284 11.232,285 11.232,286 11.232,287 10.212,288 14.196,289 6.661,290 11.655,291 8.841,292 8.841,293 8.841,294 8.841,295 8.841,296 7.528,297 20.831,298 3.069,299 9.464,300 3.926,301 2.457,302 1.441,303 1.162,304 1.114,305 1.114,306 3.578,310 1,311 1,312 1,313 279,314 3.937,317 58.431,325 1.179,326 11.348,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 39.5,338 145,339 4.399,340 3.631,341 6.472,342 4.127,343 3.132,344 4.086,345 1.697,346 10.153,347 3.12,348 4.13,349 3.185,350 6.444,351 3.94,352 3.023,353 3.13,354 1.041,355 10.003,356 2.769,357 3.275,358 3.082,359 5.023,360 3.123,361 2.212,362 2.384,364 5.898,365 2.006,366 3.042,367 2.632,368 4.821,369 2.71,370 1.803,371 2.133,373 5.195,374 1.632,375 3.032,376 2.012,377 4.105,378 2.471,379 1.523,380 2.09,382 3.586,383 1.441,384 2.363,385 1.464,386 3.261,387 1.822,388 0.866,389 1.225,391 1.685,392 0.825,393 1.715,394 1.047,395 3.106,396 1.508,397 0.623,398 0.665,400 1.327,401 0.546,402 0.963,403 0.623,404 2.729,405 0.823,406 -0.127,407 -0.135,409 -0.248,410 -0.12,411 0.579,412 -0.08,413 2,414 0.533,415 -0.449,416 -0.457,418 -1.185,419 -0.438,420 0.418,421 -0.381,422 2,423 0.088,424 -0.841,425 -1,427 -1.568,428 -0.782,429 0.188,430 -0.741,431 2,433 -1,434 -1,436 -2.621,437 -0.898,439 -1,440 2,442 -1,443 -1,445 -3,446 -1,448 -1,449 1.715,450 -0.101,451 -1,452 -1.134,454 -3,455 -1,456 -0.196,457 -1.077,458 1.405,459 -0.541,460 -1.457,461 -1.627,463 -3.583,464 -1.303,465 -0.313,466 -1.462,467 1.216,468 -0.741,469 -1.688,470 -1.864,472 -4.693,473 -1.554,474 8.367,475 0.465,476 0.668,477 0.037,478 16,479 0.889,480 4.5,481 0.25,482 11.5,483 0.639,484 18.462,485 1.026,486 22.533,487 0.537,488 10.208,489 0.567,490 3.121,491 0.173,492 5.211,493 0.289,494 0.339,495 0.06,496 0.215,501 0.853,502 1.867,503 1.027,504 1.554,505 0.912,506 1.352,507 1.049,508 0.952,509 0.9,510 0.854,511 0.519,512 0.842,513 1.047,514 1.449,515 1.344,516 1.58,517 0.838,518 1.532,519 0.576,520 0.95,521 0.708,522 0.928,523 0.4,524 0.849,525 1.649,526 0.786,527 1.157,528 0.832,529 1.156,530 0.907,531 1.062,532 1.006,533 0.997,534 0.957,535 1.416,536 0.985,537 0.759,538 0.704,539 0.882,540 0.688,541 0.472,542 0.763,543 0.678,544 1.374,545 1.122,546 1.39,547 0.958,548 1.33,549 5.5,551 2.222,552 1.667,553 0.73,554 0.413,555 0.397,556 0.272,557 0.242,558 0.06,559 2411,560 5427,561 1.805,562 57.1,563 9,564 4,565 3,566 2,567 1,569 5,572 1.585,573 1.624,574 2.992,575 -0.225,577 1,579 1,582 61.578,583 1.466,584 2.935,585 3.951,586 4.231,587 4.278,588 4.278,589 2.441,590 3.795,591 4.143,592 3.177,593 486.143,594 7.023,595 4768.7,596 1,597 1,599 1,600 226.477,601 1.772,602 4.03,603 0.306,605 0.089,606 0.079,607 0.035,608 0.024,609 0.028,610 0.019,611 0.019,612 0.009,613 0.608,614 0.67,615 1,616 2.159,617 77.479,618 0.114,619 -0.4,620 0.049,621 -0.203,622 0.027,623 -0.11,624 0.007,625 0.243,626 0.145,627 0.231,628 0.095,629 0.215,630 -0.089,631 -0.217,632 -0.334,633 -0.369,634 -0.149,635 -0.397,636 0.226,637 -0.082,638 0.218,639 -0.012,640 0.205,641 0.089,642 -0.189,643 0.13,644 -0.107,645 0.056,646 -0.057,647 -0.001,648 0.02,649 -0.115,650 -0.03,651 0.007,652 -0.065,653 -0.024,654 -0.085,655 0.261,656 0.052,657 0.217,658 0.016,659 0.174,660 -0.048,661 -0.231,662 -0.178,663 -0.258,664 -0.077,665 -0.241,666 1.142,667 2.619,668 0.278,669 12.494,670 0.994,671 1.149,672 1.578,673 2.489,674 0.593,675 2.944,676 3.258,677 3.296,678 3.497,679 3.367,680 3.258,681 3.296,682 3.258,683 3.045,684 2.833,685 5.086,686 0.548,687 254.4,688 2.944,689 4.466,690 5.242,691 6.116,692 6.915,693 7.789,694 8.6,695 9.472,696 10.29,697 11.16,698 7.1,706 1,707 1,708 1,715 2,720 1,721 2,722 5,726 1,741 42,743 6,745 18,747 42,748 13,749 3,752 1,756 1,757 1,763 4,764 1,770 2,772 4,773 9,777 1,784 1,785 1,790 1,793 24,794 3,795 1,796 5,799 1,802 3,803 1,808 1,809 2,828 1,857 1,858 1,859 1,864 5,868 18,875 1,876 2,878 1,880 1,882 1,893 4.8,897 1,898 1,901 11.083,902 8.85,903 4.014,904 2.403,907 1.171,908 1.209,909 0.844,910 5.351,911 6.78,912 3.114,913 3.618,914 3.977,915 4.475,916 4.514,917 4.515,918 4.626,919 4.6,920 4.429,921 4.454,922 1,923 21,924 6.605,926 2.535,927 0.026,929 7.708,931 12.759,933 9.711,936 2.208,937 39.75,938 0.002,941 270.735,942 79.865,943 17.046,945 53.806,948 79.865,949 324.541,950 17.046,951 43.697,952 6.698,953 9.047,954 47.817,955 67,956 35.313,957 211.88,959 270.735,960 96.911,961 53.806,964 211.88,965 101.661,966 11,968 68.521,969 17.444,970 10.947,972 270.735,973 70.851,974 79.865,977 270.735,978 9.026,979 74.638,981 67.053,982 270.735,983 70.851,984 79.865,986 0.579,987 0.289,988 0.158,989 0.071,990 10,991 6,992 0.143,993 6,995 1,996 2.91,997 112.793,999 5,1000 70.304,1005 15.188,1006 6.341,1007 5.122,1009 67.053,1010 3.801,1015 0.792,1016 3.774,1017 42.806,1018 421.452,1019 21.5,1026 1.401,1027 3.064,1031 41.738,1032 48.273,1034 0.272,1035 0.544,1036 0.733,1037 0.785,1038 0.793,1039 0.793,1040 4.36,1041 -0.127,1042 5.303,1043 1.327,1044 3.932,1045 4.297,1046 2.189,1047 6.12,1048 3.808,1049 5.583,1050 -0.449,1051 6.882,1052 -0.248,1053 3.892,1054 4.27,1056 7.357,1057 3.771,1058 6.901,1059 -0.841,1060 8.572,1061 -1.185,1062 5.617,1063 6.388,1064 2.993,1065 10.225,1066 5.406,1067 8.251,1068 -1,1069 10.322,1070 -1.568,1071 6.293,1072 7.137,1074 12.164,1075 6.098,1076 9.63,1077 -1,1078 12.108,1079 -2.621,1080 7.622,1081 8.827,1082 3.938,1083 14.659,1084 7.363,1085 11.029,1086 -1,1087 13.916,1088 -3,1089 8.574,1090 9.935,1092 16.837,1093 8.323,1094 12.444,1095 -1.457,1096 15.74,1097 -3,1098 9.771,1099 11.454,1100 4.951,1101 19.214,1102 9.479,1103 3.132,1104 -1.688,1105 17.575,1106 -3.583,1107 10.83,1108 12.727,1110 21.476,1111 10.537,1112 3.023,1113 10.153,1114 19.417,1115 -4.693,1116 11.982,1117 14.176,1118 5.992,1119 23.812,1120 11.662,1121 2.212,1122 10.003,1123 21.265,1124 4.086,1125 13.082,1126 15.523,1128 26.105,1129 12.756,1130 1.803,1131 5.898,1132 23.118,1133 3.13,1134 14.218,1135 16.945,1136 7.044,1137 28.426,1138 13.875,1139 1.523,1140 5.195,1141 24.973,1142 2.384,1143 15.335,1144 18.324,1146 30.73,1147 14.985,1148 0.866,1149 3.586,1150 26.831,1151 2.133,1152 16.466,1153 19.736,1154 8.099,1155 33.045,1156 16.104,1157 0.623,1158 1.685,1159 28.691,1160 2.09,1161 17.59,1162 21.13,1164 35.353,1165 17.222,1166 2664,1167 4131,1168 10.633,1169 24.921,1170 27.188,1171 29.466,1172 27.575,1173 26.258,1174 26.364,1175 31.425,1176 5.476,1177 75.692,1178 24.679,1179 5.311,1180 5.477,1181 6.231,1182 5.222,1183 5.107,1184 6.794,1185 3.394,1186 16.669,1187 4.923,1188 12.46,1189 1.51,1190 1.637,1191 1.532,1192 1.459,1193 1.465,1194 1.746,1195 0.304,1196 4.205,1197 1.371,1198 4.03,1199 4.094,1200 3.982,1201 3.813,1202 6.546,1203 3.847,1204 3.815,1205 3.871,1206 3.679,1207 3.697,1208 4.867,1209 3.685,1210 3.465,1211 3.53,1212 3.298,1213 3.263,1214 4.541,1215 3.257,1216 3.251,1217 3.317,1218 3.165,1219 2.953,1220 4.273,1221 2.988,1222 3.183,1223 3.284,1224 2.971,1225 2.923,1226 4.04,1227 2.921,1228 2.874,1229 3.009,1230 2.603,1231 2.635,1232 3.835,1233 2.614,1234 2.874,1235 3.009,1236 2.499,1237 2.618,1238 3.647,1239 2.57,1240 2.872,1241 2.969,1242 2.499,1243 2.618,1244 3.467,1245 2.57,1246 0.244,1247 0.202,1248 0.36,1249 0.229,1250 0.174,1251 4.399,1252 0.227,1253 3.631,1254 0.094,1255 6.472,1256 0.564,1257 4.127,1258 0.173,1259 3.132,1260 4.086,1261 1.697,1262 10.153,1263 3.12,1264 1.824,1265 1.773,1266 2.051,1267 1.989,1268 1.343,1269 2.007,1270 1.644,1271 1.579,1272 1.804,1273 1.9,1274 0.963,1275 1.875,1276 1.551,1277 1.484,1278 1.776,1279 1.789,1280 0.889,1281 1.786,1282 1.413,1283 1.341,1284 1.681,1285 1.635,1286 0.816,1287 1.662,1288 1.053,1289 0.969,1290 1.417,1291 1.417,1292 0.469,1293 1.383,1294 0.934,1295 0.804,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.934,1301 0.804,1302 1.344,1303 1.239,1304 0.41,1305 1.308,1306 0.885,1307 0.79,1308 1.273,1309 1.167,1310 0.358,1311 1.21,1312 3.611,1314 4.92,1315 2.398,1316 6.378,1317 4.727,1318 7.909,1319 6.783,1320 9.48,1322 10.575,1327 8.619,1328 1.462,1330 5.811,1332 0.191,1334 0.26,1340 23.025,1341 61.578,1342 123.284,1343 165.948,1344 177.683,1345 179.683,1346 179.683,1347 36.129,1348 5.609,1349 50.63,1350 50.63,1351 5,1352 11.714,1353 2.807,1354 2.17,1355 41.865,1356 55,1357 47,1358 0.387,1359 149.134,1360 254.18,1361 355.648,1362 1439,1364 13.759,1365 0.764,1366 0.665,1367 13.759,1368 11.974,1369 8.332,1370 0.463,1371 0.348,1372 6.14,1373 7.825,1374 5.749,1375 4.963,1376 8.332,1377 6.265,1378 8.215,1379 0.329,1380 0.239,1381 8.215,1382 5.968,1383 4.942,1384 0.19,1385 0.108,1386 4.942,1387 2.812,1388 4.228,1389 0.132,1390 0.066,1391 4.228,1392 2.098,1393 2.538,1394 0.091,1395 0.031,1396 2.538,1397 0.863,1398 0.603,1399 53.442,1400 0.307,1401 18.247,1402 1.064,1403 86,1404 237.508,1405 96.699,1406 225.595,1407 295.74,1408 208,1409 94,1410 212.769,1411 105.34,1412 216.595,1413 299.57,1414 196,1415 4.488}
{0 CHEMBL1473252,1 1.567,2 7.885,3 3.749,4 14.054,5 94.965,6 8.51,7 0.379,8 3.911,9 3.972,10 3.743,11 3.537,12 5.015,13 3.504,14 4.503,15 4.618,16 4.116,17 3.979,18 5.944,19 3.96,20 4.78,21 4.902,22 4.274,23 4.204,24 6.128,25 4.156,26 4.977,27 5.149,28 4.264,29 4.254,30 6.191,31 4.19,32 4.955,33 5.136,34 4.134,35 4.124,36 6.206,37 4.041,38 4.787,39 4.971,40 4.037,41 3.87,42 6.294,43 3.827,44 4.502,45 4.631,46 3.726,47 3.579,48 6.156,49 3.549,50 4.254,51 4.406,52 3.292,53 3.357,54 5.5,55 3.263,56 0.144,57 0.575,58 10.236,59 5.02,60 30.433,61 5.003,62 0.51,63 0.986,64 18.036,65 8.464,66 109.996,67 9.606,68 0.679,69 1.295,70 21.727,71 11.08,72 102.519,73 12.678,74 0.654,75 1.564,76 33.193,77 13.882,78 88.734,79 16.132,80 0.874,81 1.48,82 33.117,83 12.971,84 152.422,85 14.616,86 0.94,87 1.217,88 30.584,89 10.753,90 187.361,91 12.003,92 0.882,93 0.881,94 20.874,95 7.56,96 174.538,97 7.245,98 0.615,99 0.705,100 18.716,101 6.319,102 99.729,103 5.786,104 66,105 48,106 0.269,107 0.617,108 0.781,109 0.812,110 0.82,111 0.82,112 3.307,113 1.018,114 -3.16,115 -3.15,116 -3.03,121 43.2,122 3,123 3,125 1,144 2,145 6,154 1,155 1,159 2,170 2,174 1,176 15,179 1,180 5,181 1,183 2,187 21,188 1,191 3,192 10,195 1,197 1,200 21,201 2,205 1,206 13,211 2,214 17,215 1,218 1,219 11,220 1,224 1,227 10,228 2,231 2,232 12,233 1,235 1,237 2,239 6,240 2,243 2,244 10,247 1,249 2,251 7,252 2,256 4,261 2,264 5,265 2,269 4,274 2,277 3,278 3,281 762,282 16.411,283 16.411,284 16.411,285 16.411,286 16.411,287 14.663,288 14.197,289 8.758,290 16.508,291 14.231,292 14.231,293 14.231,294 14.231,295 14.231,296 11.201,297 11.718,298 4.07,299 14.368,300 3.893,301 1.866,302 0.915,303 0.733,304 0.688,305 0.688,306 3.988,310 1,311 1,312 1,313 440,314 3.742,317 36.697,318 125.272,321 62.465,322 138.672,325 1.355,326 52.256,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 58,338 205,339 4.93,340 5.177,341 7.462,342 4.548,343 3.555,344 4.791,345 2.925,346 13.28,347 3.549,348 4.733,349 3.92,350 7.346,351 4.41,352 3.438,353 4.422,355 12.764,356 3.37,357 4.474,358 3.654,359 7.02,360 4.157,361 3.184,362 3.976,364 11.672,365 3.03,366 4.041,367 3.129,368 6.454,369 3.689,370 2.691,371 3.399,373 9.771,374 2.673,375 3.774,376 2.98,377 5.936,378 3.428,379 2.391,380 3.097,382 7.969,383 2.469,384 3.37,385 2.626,386 5.577,387 3.063,388 2.058,389 2.581,391 6.855,392 2.065,393 3.013,394 2.375,395 5.094,396 2.619,397 1.609,398 2.145,400 5.222,401 1.624,402 2.842,403 2.001,404 4.539,405 2.536,406 1.529,407 1.939,409 4.022,410 1.537,411 2.593,412 1.654,413 4.359,414 2.183,415 1.182,416 1.602,418 3.473,419 1.182,420 2.329,421 1.422,422 3.903,423 2.055,424 1.048,425 1.278,427 2.628,428 1.052,429 2.159,430 1.174,431 3.482,432 1.56,433 0.47,434 0.73,436 1.209,437 0.505,438 1.176,439 0.743,440 3.167,441 0.979,442 -0.039,443 -0.044,445 -0.101,446 -0.039,447 1.106,448 0.338,449 2.904,450 0.804,451 -0.21,452 -0.257,454 -0.578,455 -0.212,456 1,457 0.136,458 2.816,459 0.471,460 -0.529,461 -0.647,463 -1.408,464 -0.52,465 0.808,466 -0.12,467 2.744,468 0.355,469 -0.662,470 -0.811,472 -1.818,473 -0.672,474 12.333,475 0.474,476 1.22,477 0.047,478 32.25,479 1.24,480 16,481 0.615,482 16.25,483 0.625,484 25.793,485 0.992,486 28.467,487 0.647,488 26.559,489 1.022,490 5.607,491 0.216,492 6.431,493 0.247,494 0.257,495 0.108,496 0.405,501 0.552,502 1.074,503 0.754,504 1.183,505 0.665,506 0.899,507 0.452,508 0.85,509 0.563,510 0.834,511 0.391,512 0.727,513 0.514,514 1.026,515 0.688,516 0.941,517 0.526,518 0.998,519 0.72,520 1.091,521 0.843,522 1.05,523 0.605,524 1.008,525 1.004,526 1.038,527 0.903,528 0.969,529 1.113,530 1.064,531 1.017,532 0.965,533 0.823,534 0.919,535 1.077,536 0.888,537 1.526,538 1.069,539 1.199,540 1.017,541 1.503,542 1.133,543 1.827,544 0.94,545 1.57,546 1.007,547 1.538,548 1.153,549 7.5,550 0.037,551 4.889,552 3.597,553 3.136,554 1.709,555 1.022,556 0.47,557 0.336,558 0.21,559 6338,560 20071,561 1.992,562 40.9,563 15,564 2,567 1,572 1.699,573 1.753,574 2.983,575 -0.294,577 1,582 68.936,583 1.567,584 3.593,585 4.544,586 4.726,587 4.772,588 4.772,589 2.445,590 4.027,591 4.674,592 3.134,593 1018.42,594 8.141,595 11673.8,597 1,599 1,600 240.215,601 1.826,602 4.555,603 0.259,604 0.004,605 0.102,606 0.067,607 0.059,608 0.042,609 0.028,610 0.018,611 0.021,612 0.018,613 0.616,614 0.5,615 1,616 0.885,617 121.809,618 0.051,619 0.02,620 0.207,621 -0.032,622 -0.117,623 0.068,624 0.269,625 0.163,626 0.224,627 0.126,628 0.292,629 0.236,630 0.222,631 -0.03,632 0.061,633 -0.017,634 0.136,635 -0.043,636 0.04,637 -0.115,638 0.041,639 -0.097,640 0.055,641 -0.008,642 -0.066,643 -0.084,644 -0.002,645 -0.049,646 -0.128,647 -0.084,648 0.086,649 -0.017,650 0.16,651 0.012,652 0.101,653 0.086,654 -0.106,655 -0.113,656 -0.237,657 -0.103,658 0.003,659 -0.253,660 -0.475,661 0.04,662 -0.453,663 0.007,664 -0.337,665 -0.231,666 5.554,667 5.87,668 0.654,669 18.485,670 1.023,671 1.112,672 1.926,673 3.71,674 0.687,675 3.401,676 3.892,677 4.234,678 4.595,679 4.898,680 5.147,681 5.352,682 5.541,683 5.717,684 5.737,685 4.987,686 0.664,687 374.44,688 3.401,689 5.043,690 5.958,691 6.927,692 7.863,693 8.831,694 9.776,695 10.743,696 11.693,697 12.659,715 2,718 1,720 8,722 11,727 2,741 44,743 15,744 1,745 29,747 47,748 19,749 10,750 4,751 2,752 2,756 4,757 10,763 3,764 1,766 1,767 3,770 3,772 12,773 7,777 4,780 1,782 4,786 2,790 1,792 1,793 18,794 6,795 1,796 7,797 1,808 0.25,809 6,828 1,829 3,832 1,833 2,857 1,859 1,862 1,864 3,868 26,873 1,875 1,876 3,882 1,893 13.6,894 1,896 4,898 1,901 14.833,902 9.117,903 5.236,904 2.763,907 2.559,908 1.32,909 0.977,910 3.491,911 10.547,912 3.676,913 4.404,914 5.018,915 5.658,916 6.214,917 6.729,918 7.172,919 7.577,920 7.985,921 8.249,922 1,923 54,924 10.326,926 5.315,927 0.026,929 8.224,931 18.125,933 16.236,936 2.724,937 70.833,940 1,941 200.109,942 93.014,945 143.206,947 1.339,948 91.675,949 343.315,951 26.476,952 7.604,953 59.388,954 104.87,955 32.435,956 5.449,957 200.109,959 200.109,960 91.675,961 143.206,962 1.339,964 200.109,965 104.11,966 39.096,968 37.893,969 53.782,970 1.339,972 200.109,973 143.206,974 93.014,976 1.339,977 200.109,978 46.247,979 45.428,981 143.206,982 200.109,983 143.206,984 93.014,986 0.631,987 0.377,988 0.203,989 0.112,990 28,991 14,992 0.021,993 1,994 3,995 1.353,996 3.377,997 251.972,998 0.353,999 17,1000 118.211,1004 1,1005 17.354,1006 5.23,1007 2.317,1009 143.206,1010 3.631,1013 5.379,1015 1.836,1017 39.096,1018 436.329,1019 38.5,1022 -4.637,1024 48.682,1028 -1.437,1031 44.993,1032 48.913,1034 0.287,1035 0.658,1036 0.832,1037 0.866,1038 0.874,1039 0.874,1040 5.022,1041 1.529,1042 6.08,1043 5.222,1044 4.575,1045 5.091,1046 2.896,1047 7.091,1048 4.56,1049 6.341,1050 1.182,1051 7.784,1052 4.022,1053 4.691,1054 5.434,1056 8.538,1057 4.646,1058 7.759,1059 1.048,1060 9.594,1061 3.473,1062 6.45,1063 7.503,1064 4.993,1065 11.635,1066 6.403,1067 9.213,1068 0.47,1069 11.462,1070 2.628,1071 7.28,1072 8.577,1074 13.78,1075 7.204,1076 10.696,1077 -0.039,1078 13.365,1079 1.209,1080 8.661,1081 10.26,1082 7.133,1083 16.502,1084 8.578,1085 12.198,1086 -0.21,1087 15.289,1088 -0.101,1089 9.748,1090 11.61,1092 18.896,1093 9.643,1094 13.715,1095 -0.529,1096 17.228,1097 -0.578,1098 11.022,1099 13.182,1100 9.279,1101 21.504,1102 10.908,1103 3.555,1104 -0.662,1105 19.178,1106 -1.408,1107 12.203,1108 14.639,1110 23.995,1111 12.075,1112 3.438,1113 13.28,1114 21.136,1115 -1.818,1116 13.449,1117 16.18,1118 11.426,1119 26.568,1120 13.312,1121 3.184,1122 12.764,1123 23.101,1124 4.791,1125 14.666,1126 17.682,1128 29.098,1129 14.52,1130 2.691,1131 11.672,1132 25.071,1133 4.422,1134 15.906,1135 19.219,1136 13.572,1137 31.661,1138 15.754,1139 2.391,1140 9.771,1141 27.045,1142 3.976,1143 17.139,1144 20.742,1146 34.209,1147 16.98,1148 2.058,1149 7.969,1150 29.023,1151 3.399,1152 18.38,1153 22.28,1154 15.719,1155 36.771,1156 18.216,1157 1.609,1158 6.855,1159 31.003,1160 3.097,1161 19.621,1162 23.815,1164 39.328,1165 19.452,1166 6244,1167 11384,1168 17.918,1169 30.227,1170 47.309,1171 51.208,1172 49.518,1173 46.42,1174 46.311,1175 59.92,1176 5.85,1177 157.732,1178 46.111,1179 5.879,1180 7.177,1181 6.906,1182 5.569,1183 5.555,1184 7.791,1185 5.85,1186 21.396,1187 5.549,1188 17.535,1189 1.631,1190 1.766,1191 1.708,1192 1.601,1193 1.597,1194 2.066,1195 0.202,1196 5.439,1197 1.59,1198 4.17,1199 4.159,1200 4.729,1201 4.106,1202 7.763,1203 4.094,1204 3.974,1205 3.961,1206 4.069,1207 3.927,1208 7.497,1209 3.873,1210 3.723,1211 3.697,1212 3.768,1213 3.632,1214 7.352,1215 3.582,1216 3.459,1217 3.471,1218 3.402,1219 3.356,1220 6.999,1221 3.325,1222 3.359,1223 3.426,1224 3.288,1225 3.22,1226 6.312,1227 3.205,1228 3.277,1229 3.286,1230 3.125,1231 3.067,1232 4.976,1233 3.08,1234 3.006,1235 3.06,1236 2.811,1237 2.806,1238 4.617,1239 2.798,1240 2.874,1241 3.009,1242 2.661,1243 2.618,1244 4.155,1245 2.6,1246 0.17,1247 0.179,1248 0.257,1249 0.157,1250 0.123,1251 4.93,1252 0.165,1253 5.177,1254 0.101,1255 7.462,1256 0.458,1257 4.548,1258 0.122,1259 3.555,1260 4.791,1261 2.925,1262 13.28,1263 3.549,1264 2.057,1265 2.041,1266 2.159,1267 2.127,1268 1.483,1269 2.136,1270 1.769,1271 1.793,1272 1.879,1273 1.874,1274 1.103,1275 1.894,1276 1.682,1277 1.699,1278 1.742,1279 1.834,1280 0.949,1281 1.849,1282 1.385,1283 1.378,1284 1.69,1285 1.577,1286 0.926,1287 1.621,1288 1.38,1289 1.311,1290 1.417,1291 1.546,1292 0.533,1293 1.573,1294 1.174,1295 1.144,1296 1.402,1297 1.417,1298 0.469,1299 1.416,1300 0.968,1301 0.961,1302 1.243,1303 1.239,1304 0.45,1305 1.308,1306 0.934,1307 0.804,1308 1.14,1309 1.21,1310 0.423,1311 1.183,1312 4.078,1314 5.525,1315 2.398,1316 7.166,1317 4.844,1318 8.899,1319 7.081,1320 10.681,1322 5.556,1327 9.362,1328 2.568,1334 -0.106,1340 29.217,1341 68.936,1342 158.102,1343 199.95,1344 207.95,1345 209.95,1346 209.95,1347 71.16,1348 7.988,1349 101.65,1350 110.03,1351 23,1352 13.141,1353 4,1354 3.392,1355 37.723,1356 81,1357 63,1358 0.251,1359 178.068,1360 318.79,1361 426.246,1362 28726,1364 19.016,1365 0.731,1366 0.596,1367 19.266,1368 15.489,1369 12.038,1370 0.415,1371 0.339,1372 8.434,1373 10.921,1374 7.995,1375 6.604,1376 12.932,1377 9.844,1378 12.996,1379 0.271,1380 0.186,1381 14.365,1382 8.925,1383 10.647,1384 0.157,1385 0.094,1386 11.394,1387 6.371,1388 9.482,1389 0.097,1390 0.05,1391 10.176,1392 4.938,1393 7.625,1394 0.057,1395 0.025,1396 8.159,1397 3.378,1398 0.372,1399 84.64,1400 0.236,1401 23.861,1402 0.769,1403 154,1404 499.688,1405 203.694,1406 495.079,1407 661.78,1408 450,1409 193,1410 457.932,1411 251.455,1412 501.13,1413 747.61,1414 467,1415 4}
{0 CHEMBL147465,1 1.457,2 7.154,3 1.651,4 2.726,5 52.235,6 6.402,7 0.385,8 3.393,9 3.534,10 2.829,11 2.795,12 4.449,13 2.768,14 3.928,15 4.158,16 3.05,17 3.085,18 4.822,19 3.035,20 3.985,21 4.204,22 2.969,23 3.177,24 4.916,25 3.082,26 4.118,27 4.379,28 2.732,29 3.147,30 4.978,31 2.97,32 4.056,33 4.399,34 2.456,35 2.904,36 4.694,37 2.705,38 3.595,39 3.852,40 2.329,41 2.741,42 4.443,43 2.584,44 3.534,45 3.837,46 2.166,47 2.668,48 4.339,49 2.475,50 3.363,51 3.694,52 1.837,53 2.418,54 4.251,55 2.185,56 0.02,57 0.386,58 6.755,59 2.216,60 7.045,61 3.454,62 0.247,63 0.55,64 12.181,65 3.14,66 13.549,67 5.074,68 0.136,69 0.582,70 12.573,71 3.812,72 15.625,73 5.914,74 0.183,75 0.58,76 14.278,77 4.459,78 21.964,79 6.895,80 0.192,81 0.456,82 13.384,83 3.941,84 18.967,85 6.188,86 0.097,87 0.364,88 8.294,89 2.764,90 12.212,91 4.201,92 0.063,93 0.338,94 7.593,95 2.693,96 9.203,97 4.182,98 0.042,99 0.258,100 6.288,101 2.339,102 12.215,103 3.588,104 15,105 16,106 0.29,107 0.609,108 0.818,109 0.833,110 0.847,111 0.847,112 2.662,113 1.009,114 -2.48,115 -2.51,116 -2.45,121 35.7,122 1,123 1,126 1,127 1,128 1,142 1,143 1,147 1,153 1,163 1,176 2,180 2,182 2,187 1,189 1,192 1,205 1,206 2,216 1,229 1,232 1,239 1,241 1,244 1,251 1,256 1,264 1,281 160,282 8.682,283 8.682,284 8.682,285 8.682,286 8.682,287 7.748,288 9.61,289 5.482,290 9.056,291 6.35,292 6.35,293 6.35,294 6.35,295 6.35,296 4.969,297 9.338,298 2.553,299 6.92,300 3.351,301 1.751,302 0.697,303 0.625,304 0.554,305 0.554,306 3.271,311 1,312 1,313 181,314 2.55,317 38.702,325 1.089,326 6.269,329 1,330 0.83,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.85,337 28,338 93,339 4.353,340 3.16,341 6.359,342 3.895,343 2.982,344 4.033,345 1.041,346 9.479,347 2.723,348 3.5,349 2.56,350 4.946,351 2.844,352 1.954,353 2.346,355 5.391,356 1.739,357 3.17,358 2.224,359 3.867,360 2.606,361 1.658,362 2.09,364 3.348,365 1.569,366 2.567,367 1.7,368 3.7,369 2.125,370 1.169,371 1.592,373 2.822,374 1.115,375 2.506,376 1.358,377 3.101,378 1.927,379 1.026,380 1.305,382 1.895,383 0.915,384 1.664,385 0.666,386 2.382,387 1.228,388 0.288,389 0.355,391 0.506,392 0.269,393 1.019,394 0.086,395 2,396 0.722,397 -0.224,398 -0.267,400 -0.408,401 -0.211,402 0.48,403 -0.376,404 1.746,405 0.104,406 -0.806,407 -1.024,409 -1.512,410 -0.728,411 0.087,412 -0.871,413 1.337,414 -0.241,415 -1.164,416 -1.378,418 -2.737,419 -1.068,420 -0.207,421 -1.022,422 1.225,423 -0.489,424 -1.434,425 -1.75,427 -3.138,428 -1.335,429 -0.359,430 -1.29,431 0.746,432 -0.777,433 -1.693,434 -2.117,436 -4.252,437 -1.564,438 -0.421,439 -1.717,440 0.53,441 -0.869,442 -1.795,443 -2.535,445 -4.899,446 -1.663,447 -0.859,448 -1.797,449 0.064,450 -1.076,451 -1.96,452 -2.648,453 -1.041,454 -6.495,455 -1.761,474 6.133,475 0.472,476 0.247,477 0.019,478 13.5,479 1.038,480 5,481 0.385,482 8.5,483 0.654,484 8.823,485 0.679,486 15.167,487 0.542,488 7.89,489 0.607,490 3.04,491 0.234,492 3.213,493 0.247,494 0.245,496 0.212,501 0.974,502 1.901,503 0.941,504 1.488,505 0.887,506 1.246,507 1.636,508 0.852,509 1.047,510 0.716,511 0.976,512 0.786,513 1.445,514 1.181,515 1.258,516 1.184,517 1.063,518 1.183,519 1.034,520 1.19,521 1.26,522 1.343,523 0.863,524 1.33,525 1.145,526 0.541,527 0.701,528 0.523,529 0.742,530 0.561,531 1.169,532 1.039,533 1.157,534 1.055,535 1.208,536 1.108,537 0.402,538 0.868,539 0.887,540 0.942,541 0.549,542 0.966,543 0.144,544 0.86,545 0.684,546 0.916,547 0.941,548 0.883,549 2,551 1.556,552 0.917,553 0.285,554 0.191,555 0.137,556 0.103,557 0.056,559 1028,560 2559,561 1.872,562 53.6,564 5,565 4,566 1,568 3,569 2,572 1.475,573 1.733,574 2.833,575 -0.748,579 1,582 40.783,583 1.457,584 3.057,585 4.111,586 4.182,587 4.253,588 4.253,589 2.258,590 3.547,591 3.666,592 2.938,593 229.162,594 6.036,595 1738.49,597 1,600 134.606,601 1.457,602 3.613,603 0.154,605 0.097,606 0.065,607 0.032,608 0.024,609 0.02,610 0.017,611 0.014,613 0.423,614 0.83,615 1,616 2.196,617 48.982,618 0.038,619 -0.608,620 0.07,621 -0.332,622 -0.002,623 -0.158,624 -0.043,625 0.247,626 0.026,627 0.203,628 -0.121,629 0.131,630 -0.221,631 -0.069,632 -0.248,633 -0.179,634 -0.14,635 -0.204,636 0.01,637 -0.215,638 -0.294,639 -0.384,640 -0.002,641 -0.376,642 -0.045,643 0.187,644 0.259,645 0.33,646 0.077,647 0.332,648 -0.19,649 -0.062,650 -0.2,651 -0.052,652 -0.183,653 -0.124,654 0.004,655 0.076,656 0.002,657 0.046,658 0.178,659 0.03,660 0.144,661 -0.035,662 0.176,663 0.06,664 0.214,665 0.112,666 0.922,667 1.861,668 0.385,669 7.917,670 0.992,671 1.139,672 1.249,673 1.559,674 0.622,675 2.639,676 2.833,677 2.996,678 3.045,679 2.89,680 2.708,681 2.565,682 2.398,683 2.079,684 1.609,685 4.282,686 0.578,687 179.27,688 2.639,689 4.078,690 4.86,691 5.666,692 6.479,693 7.3,694 8.125,695 8.956,696 9.787,697 10.622,698 7.1,706 1,708 1,715 2,720 1,721 2,722 5,741 28,743 6,745 13,747 28,748 10,749 3,756 1,757 1,763 1,770 1,771 2,772 3,773 5,793 15,794 1,796 3,799 1,802 2,803 1,808 1,809 1,828 1,836 1,837 1,858 1,859 1,864 2,868 13,876 3,878 1,885 1,886 1,891 1,893 3.6,897 1,901 7.5,902 5.617,903 3.139,904 1.574,907 1.136,908 1.228,909 0.898,910 3.843,911 6.126,912 2.918,913 3.341,914 3.77,915 4.14,916 4.039,917 3.82,918 3.774,919 3.841,920 3.841,921 3.841,922 0.8,923 14,924 4.751,925 -0.003,926 1.762,927 0.026,929 7.667,931 9.134,932 -0.001,933 6.593,934 -0.002,936 2.167,937 28.167,938 0.009,941 176.567,942 89.287,943 3.798,945 11,948 89.287,949 187.566,950 3.798,951 17.222,952 11.29,953 9.047,954 26.998,955 10.947,956 87.436,957 117.711,959 176.567,960 93.085,961 11,964 153.024,965 23.542,966 11,968 33.39,969 40.765,970 18.93,972 176.567,973 14.798,974 89.287,977 176.567,978 13.618,979 39.115,980 17.031,981 34.321,982 176.567,983 14.798,984 89.287,986 0.547,987 0.313,988 0.145,989 0.064,990 6,991 3,992 0.143,993 4,995 1,996 2.555,997 67.377,999 5,1000 46.106,1005 10.135,1006 4.929,1007 2.779,1009 11,1010 3.991,1015 1.167,1016 4.084,1018 280.651,1019 17.5,1031 27.774,1032 31.905,1034 0.303,1035 0.636,1036 0.855,1037 0.87,1038 0.885,1039 0.885,1040 4.099,1041 -0.806,1042 4.796,1043 -0.408,1044 3.497,1045 4.016,1046 1.153,1047 5.509,1048 3.327,1049 5.277,1050 -1.164,1051 6.308,1052 -1.512,1053 2.944,1054 3.726,1056 6.315,1057 2.682,1058 6.556,1059 -1.434,1060 7.938,1061 -2.737,1062 4.977,1063 6.107,1064 1.208,1065 9.39,1066 4.619,1067 7.876,1068 -1.693,1069 9.638,1070 -3.138,1071 5.352,1072 6.794,1074 11.09,1075 4.895,1076 9.231,1077 -1.795,1078 11.383,1079 -4.252,1080 6.812,1081 8.578,1082 1.265,1083 13.651,1084 6.267,1085 10.613,1086 -1.96,1087 13.159,1088 -4.899,1089 7.609,1090 9.687,1092 15.677,1093 6.972,1094 12.014,1096 14.955,1097 -6.495,1098 8.845,1099 11.238,1100 1.324,1101 18.058,1102 8.116,1103 2.982,1105 16.766,1107 9.819,1108 12.519,1110 20.211,1111 9.001,1112 1.954,1113 9.479,1114 18.587,1116 10.967,1117 13.977,1118 1.383,1119 22.519,1120 10.058,1121 1.658,1122 5.391,1123 20.416,1124 4.033,1125 12.013,1126 15.326,1128 24.726,1129 11.014,1130 1.169,1131 3.348,1132 22.25,1133 2.346,1134 13.127,1135 16.746,1136 1.444,1137 27.002,1138 12.037,1139 1.026,1140 2.822,1141 24.088,1142 2.09,1143 14.201,1144 18.122,1146 29.232,1147 13.021,1148 0.288,1149 1.895,1150 25.928,1151 1.592,1152 15.302,1153 19.528,1154 1.506,1155 31.493,1156 14.031,1157 -0.224,1158 0.506,1159 27.771,1160 1.305,1161 16.387,1162 20.915,1164 33.733,1165 15.026,1166 1158,1167 1860,1168 8.148,1169 17.415,1170 19.366,1171 19.014,1172 19.33,1173 18.176,1174 18.153,1175 23.44,1176 2.082,1177 46.883,1178 16.658,1179 5.212,1180 4.956,1181 6.295,1182 4.971,1183 4.942,1184 6.681,1185 2.082,1186 15.974,1187 4.484,1188 7.014,1189 1.49,1190 1.463,1191 1.487,1192 1.398,1193 1.396,1194 1.803,1195 0.16,1196 3.606,1197 1.281,1198 4.024,1199 4.09,1200 3.968,1201 3.806,1202 5.43,1203 3.838,1204 3.619,1205 3.665,1206 3.498,1207 3.491,1208 4.856,1209 3.485,1210 3.256,1211 3.334,1212 3.113,1213 3.001,1214 4.474,1215 3.017,1216 3.086,1217 3.191,1218 2.823,1219 2.889,1220 3.793,1221 2.857,1222 2.995,1223 3.072,1224 2.788,1225 2.793,1226 3.75,1227 2.779,1228 2.763,1229 2.864,1230 2.496,1231 2.564,1232 3.425,1233 2.534,1234 2.202,1235 2.344,1236 1.883,1237 1.869,1238 2.993,1239 1.84,1240 2.012,1241 2.163,1242 1.698,1243 1.686,1244 2.588,1245 1.673,1246 0.335,1247 0.243,1248 0.489,1249 0.3,1250 0.229,1251 4.353,1252 0.31,1253 3.16,1254 0.08,1255 6.359,1256 0.729,1257 3.895,1258 0.209,1259 2.982,1260 4.033,1261 1.041,1262 9.479,1263 2.723,1264 1.676,1265 1.616,1266 1.867,1267 1.931,1268 1.042,1269 1.911,1270 1.602,1271 1.542,1272 1.819,1273 1.819,1274 0.964,1275 1.819,1276 1.517,1277 1.455,1278 1.715,1279 1.702,1280 0.82,1281 1.716,1282 1.088,1283 1.014,1284 1.479,1285 1.359,1286 0.564,1287 1.405,1288 0.991,1289 0.897,1290 1.306,1291 1.234,1292 0.358,1293 1.262,1294 0.807,1295 0.707,1296 1.182,1297 1.054,1298 0.102,1299 1.105,1300 0.375,1301 0.254,1302 0.805,1303 0.734,1305 0.76,1306 0.209,1307 0.054,1308 0.735,1309 0.583,1311 0.658,1312 3.296,1314 4.511,1315 2.398,1316 5.911,1317 4.727,1318 7.399,1319 6.763,1320 8.941,1322 4.053,1328 1.874,1330 5.361,1337 5.101,1339 2.534,1340 16.182,1341 40.783,1342 85.586,1343 115.096,1344 117.096,1345 119.096,1346 119.096,1347 14.07,1348 4.99,1349 18.04,1350 18.04,1351 5,1352 11.193,1353 2.807,1354 2.459,1355 25.155,1356 32,1357 36,1358 0.398,1359 106.639,1360 179.85,1361 251.96,1362 629,1364 9.682,1365 0.745,1366 0.631,1367 9.682,1368 8.209,1369 6.253,1370 0.481,1371 0.336,1372 4.274,1373 5.907,1374 4.084,1375 3.463,1376 6.253,1377 4.374,1378 5.023,1379 0.314,1380 0.19,1381 5.023,1382 3.044,1383 4.062,1384 0.214,1385 0.113,1386 4.062,1387 2.141,1388 2.708,1389 0.135,1390 0.056,1391 2.708,1392 1.126,1393 1.639,1394 0.096,1395 0.035,1396 1.639,1397 0.59,1398 0.619,1399 39.754,1400 0.35,1401 13.637,1402 1.078,1403 58,1404 167.714,1405 65.541,1406 159.704,1407 211.36,1408 150,1409 64,1410 145.988,1411 72.347,1412 149.648,1413 209.53,1414 137,1415 4.569}
{0 CHEMBL147517,1 1.6,2 7.125,3 1.905,4 3.628,5 61.571,6 6.947,7 0.313,8 3.546,9 3.679,10 3.033,11 2.915,12 4.777,13 2.913,14 4.036,15 4.25,16 3.336,17 3.233,18 5.08,19 3.229,20 4.186,21 4.359,22 3.305,23 3.408,24 5.303,25 3.345,26 4.362,27 4.613,28 3.202,29 3.391,30 5.365,31 3.26,32 4.297,33 4.606,34 3.101,35 3.199,36 5.279,37 3.112,38 4.041,39 4.246,40 2.969,41 3.171,42 5.209,43 3.078,44 3.987,45 4.264,46 2.695,47 3.072,48 4.955,49 2.91,50 3.81,51 4.11,52 2.264,53 2.718,54 4.925,55 2.523,56 0.087,57 0.442,58 7.379,59 2.405,60 17.266,61 3.652,62 0.263,63 0.627,64 13.144,65 3.417,66 20.549,67 5.418,68 0.26,69 0.717,70 14.929,71 4.911,72 27.446,73 6.931,74 0.329,75 0.75,76 18.403,77 5.217,78 34.533,79 8.501,80 0.381,81 0.616,82 18.262,83 4.115,84 40.034,85 7.077,86 0.366,87 0.551,88 13.507,89 4.102,90 44.201,91 5.926,92 0.15,93 0.53,94 12.493,95 3.77,96 22.545,97 6.14,98 0.139,99 0.371,100 10.758,101 2.914,102 29.886,103 4.847,104 36,105 22,106 0.306,107 0.665,108 0.787,109 0.799,110 0.811,111 0.811,112 2.851,113 0.925,114 -2.16,115 -2.21,116 -2.18,121 34.4,122 2,126 1,128 1,132 1,142 1,143 1,147 1,153 1,157 1,163 1,172 1,176 1,180 3,182 2,187 3,191 1,192 1,194 1,200 2,205 1,209 1,213 1,216 3,218 1,229 1,232 3,235 1,244 4,256 1,261 3,274 1,281 278,282 10.293,283 10.293,284 10.293,285 10.293,286 10.293,287 9.181,288 14.822,289 5.967,290 10.704,291 7.72,292 7.72,293 7.72,294 7.72,295 7.72,296 6.163,297 21.248,298 2.612,299 8.346,300 3.4,301 1.525,302 0.883,303 0.821,304 0.758,305 0.758,306 3.465,311 1,312 1,313 218,314 3.536,317 49.862,325 1.016,326 11.858,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 35.5,338 114,339 4.409,340 3.89,341 6.693,342 4.128,343 3.187,344 4.087,345 1.697,346 10.776,347 2.993,348 4.289,349 3.631,350 6.465,351 3.927,352 3.006,353 3.342,354 1.467,355 9.987,356 2.763,357 3.174,358 3.074,359 4.947,360 2.759,361 1.864,362 2.318,363 0.451,364 5.388,365 1.667,366 3.041,367 2.163,368 4.112,369 2.472,370 1.524,371 2.128,373 3.593,374 1.442,375 3.014,376 1.499,377 3.591,378 1.824,379 0.872,380 1.23,382 1.795,383 0.827,384 2.363,385 1.308,386 3.126,387 1.632,388 0.741,389 1.04,391 1.445,392 0.653,393 1.756,394 0.706,395 2.863,396 1.333,397 0.361,398 0.556,400 0.498,401 0.35,402 0.95,403 0.556,404 2.45,405 0.787,406 -0.159,407 -0.173,409 -0.296,410 -0.15,411 0.427,412 -0.128,413 2,414 0.091,415 -0.836,416 -1,418 -1.566,419 -0.775,420 0.205,421 -0.653,422 2,424 -1,425 -1,427 -2.857,428 -0.888,430 -0.83,431 1.815,432 -0.109,433 -1,434 -1.144,436 -3,437 -1,438 -0.182,439 -1,440 1.415,441 -0.463,442 -1.434,443 -1.73,445 -3.96,446 -1.316,447 -0.259,448 -1.083,449 0.971,450 -0.638,451 -1.568,452 -2.152,454 -4.349,455 -1.509,456 -0.313,457 -1.467,458 0.688,459 -0.795,460 -1.702,461 -2.256,462 -0.451,463 -5.414,464 -1.554,465 -0.517,466 -1.722,467 0.624,468 -0.956,469 -1.891,470 -2.538,471 -1.467,472 -5.502,473 -1.707,474 7.367,475 0.46,476 0.502,477 0.031,478 17,479 1.063,480 6.5,481 0.406,482 10.5,483 0.656,484 12.187,485 0.762,486 18.733,487 0.585,488 12.047,489 0.753,490 3.766,491 0.235,492 3.733,493 0.233,494 0.317,495 0.068,496 0.176,501 0.874,502 1.764,503 0.879,504 1.394,505 0.903,506 1.176,507 1.143,508 0.877,509 0.824,510 0.721,511 0.513,512 0.689,513 1.336,514 1.195,515 1.284,516 1.308,517 0.879,518 1.306,519 0.67,520 1.328,521 1.056,522 1.332,523 0.802,524 1.281,525 1.037,526 0.521,527 0.773,528 0.518,529 0.831,530 0.556,531 1.425,532 0.981,533 1.231,534 0.979,535 1.74,536 1.088,537 0.605,538 1.143,539 1.033,540 1.17,541 0.606,542 1.173,543 0.749,544 1.06,545 1.086,546 1.228,547 1.022,548 1.207,549 4.5,551 2.444,552 1.167,553 0.73,554 0.5,555 0.412,556 0.166,557 0.025,559 1625,560 5069,561 1.815,562 50,564 3,565 4,566 2,567 1,569 6,572 1.552,573 1.641,574 2.829,575 -0.168,577 1,578 1,579 1,582 51.191,583 1.6,584 3.475,585 4.117,586 4.179,587 4.242,588 4.242,589 2.227,590 3.578,591 3.971,592 2.951,593 354.149,594 6.694,595 3125.99,597 1,599 1,600 160,601 1.749,602 3.867,603 0.281,605 0.111,606 0.058,607 0.046,608 0.031,609 0.029,610 0.017,611 0.005,613 0.578,614 0.67,615 1,616 2.024,617 64.743,618 0.07,619 -0.452,620 0.048,621 -0.227,622 -0.027,623 -0.122,624 -0.043,625 0.259,626 0.169,627 0.253,628 0.07,629 0.262,630 -0.198,631 -0.048,632 -0.329,633 -0.215,634 -0.132,635 -0.297,636 0.151,637 -0.337,638 -0.116,639 -0.35,640 -0.059,641 -0.301,642 -0.031,643 0.331,644 0.238,645 0.315,646 0.098,647 0.347,648 -0.13,649 -0.004,650 -0.242,651 0.064,652 -0.232,653 -0.1,654 -0.038,655 -0.157,656 -0.129,657 -0.171,658 0.019,659 -0.166,660 -0.029,661 -0.183,662 -0.146,663 -0.312,664 0.053,665 -0.248,666 1.865,667 2.531,668 0.313,669 10.297,670 1.006,671 1.144,672 0.934,673 0.873,674 0.621,675 2.833,676 3.135,677 3.258,678 3.332,679 3.332,680 3.258,681 3.219,682 3.045,683 2.303,684 1.792,685 4.411,686 0.591,687 222.3,688 2.833,689 4.344,690 5.142,691 6.004,692 6.83,693 7.695,694 8.531,695 9.396,696 10.237,697 11.102,698 9.4,706 1,707 1,708 1,715 2,720 1,721 2,722 5,726 1,741 32,743 7,745 16,747 32,748 11,749 3,752 1,756 1,757 1,763 2,771 2,772 4,773 5,774 1,777 1,784 1,785 1,790 1,793 16,794 3,795 1,796 5,799 1,802 3,803 1,808 1,809 2,828 1,836 1,837 1,857 1,858 1,859 1,864 3,868 16,875 1,876 1,878 1,882 1,885 1,886 1,891 1,893 6.3,897 1,898 1,901 9.75,902 6.6,903 3.722,904 1.659,907 1.372,908 1.254,909 0.848,910 4.105,911 6.775,912 3.114,913 3.59,914 4.067,915 4.44,916 4.535,917 4.609,918 4.763,919 4.804,920 4.454,921 4.038,922 0.8,923 20,924 5.806,926 2.235,927 0.026,929 7.964,931 10.795,933 7.926,936 2.464,937 39.417,938 0.001,941 176.567,942 100.032,943 17.046,945 53.806,948 100.032,949 230.372,950 17.046,951 26.047,952 4.164,953 9.047,954 47.817,955 67,956 87.436,957 105.94,959 176.567,960 117.078,961 53.806,964 105.94,965 113.432,966 11,968 48.336,969 40.765,970 27.977,972 176.567,973 70.851,974 100.032,977 176.567,978 6.491,979 56.987,980 17.031,981 90.374,982 176.567,983 70.851,984 100.032,986 0.575,987 0.324,988 0.146,989 0.076,990 9,991 5,992 0.125,993 4,995 1,996 2.697,997 96.514,999 5,1000 62,1005 12.756,1006 5.149,1007 3.353,1009 67.053,1010 3.66,1015 0.718,1016 3.602,1017 42.806,1018 347.45,1019 21.5,1026 1.34,1027 3.002,1031 32.203,1032 36.613,1034 0.32,1035 0.695,1036 0.823,1037 0.836,1038 0.848,1039 0.848,1040 4.36,1041 -0.159,1042 5.198,1043 0.498,1044 3.807,1045 4.27,1046 2.44,1047 6.043,1048 3.655,1049 5.605,1050 -0.836,1051 6.806,1052 -0.296,1053 3.761,1054 4.182,1056 7.413,1057 3.556,1058 6.937,1059 -1,1060 8.528,1061 -1.566,1062 5.533,1063 6.418,1064 3.294,1065 10.269,1066 5.232,1067 8.304,1068 -1,1069 10.313,1070 -2.857,1071 6.256,1072 7.168,1074 12.325,1075 5.902,1076 9.702,1077 -1.434,1078 12.136,1079 -3,1080 7.598,1081 8.886,1082 4.231,1083 14.819,1084 7.16,1085 11.12,1086 -1.568,1087 13.981,1088 -3.96,1089 8.59,1090 9.997,1092 17.077,1093 8.096,1094 12.553,1095 -1.702,1096 15.839,1097 -4.349,1098 9.798,1099 11.518,1100 5.202,1101 19.474,1102 9.227,1103 3.187,1104 -1.891,1105 17.706,1106 -5.414,1107 10.884,1108 12.788,1110 21.795,1111 10.253,1112 3.006,1113 10.776,1114 19.58,1115 -5.502,1116 12.048,1117 14.233,1118 6.194,1119 24.164,1120 11.345,1121 1.864,1122 9.987,1123 21.457,1124 4.087,1125 13.168,1126 15.575,1128 26.507,1129 12.403,1130 1.524,1131 5.388,1132 23.338,1133 3.342,1134 14.316,1135 16.991,1136 7.202,1137 28.868,1138 13.484,1139 0.872,1140 3.593,1141 25.221,1142 2.318,1143 15.45,1144 18.365,1146 31.221,1147 14.553,1148 0.741,1149 1.795,1150 27.105,1151 2.128,1152 16.594,1153 19.772,1154 8.221,1155 33.58,1156 15.632,1157 0.361,1158 1.445,1159 28.99,1160 1.23,1161 17.733,1162 21.162,1164 35.937,1165 16.708,1166 1837,1167 3308,1168 9.534,1169 19.875,1170 25.283,1171 25.556,1172 25.093,1173 23.114,1174 23.109,1175 29.401,1176 7.231,1177 66.964,1178 21.391,1179 5.268,1180 5.735,1181 6.452,1182 5.22,1183 5.151,1184 6.794,1185 3.394,1186 17.315,1187 4.79,1188 10.333,1189 1.58,1190 1.597,1191 1.568,1192 1.445,1193 1.444,1194 1.838,1195 0.452,1196 4.185,1197 1.337,1198 4.029,1199 4.092,1200 3.982,1201 3.809,1202 6.546,1203 3.845,1204 3.707,1205 3.745,1206 3.612,1207 3.582,1208 5.439,1209 3.583,1210 3.251,1211 3.318,1212 3.169,1213 2.953,1214 4.858,1215 2.989,1216 3.211,1217 3.302,1218 3.034,1219 2.947,1220 4.475,1221 2.954,1222 2.994,1223 3.062,1224 2.817,1225 2.863,1226 4.04,1227 2.841,1228 2.874,1229 3.009,1230 2.607,1231 2.636,1232 3.879,1233 2.615,1234 2.871,1235 2.966,1236 2.499,1237 2.618,1238 3.676,1239 2.57,1240 2.411,1241 2.466,1242 2.222,1243 1.937,1244 3.467,1245 2.008,1246 0.276,1247 0.243,1248 0.418,1249 0.258,1250 0.199,1251 4.409,1252 0.255,1253 3.89,1254 0.106,1255 6.693,1256 0.674,1257 4.128,1258 0.187,1259 3.187,1260 4.087,1261 1.697,1262 10.776,1263 2.993,1264 1.716,1265 1.677,1266 1.907,1267 1.94,1268 1.033,1269 1.918,1270 1.62,1271 1.555,1272 1.793,1273 1.845,1274 0.906,1275 1.84,1276 1.52,1277 1.454,1278 1.701,1279 1.731,1280 0.821,1281 1.734,1282 1.056,1283 0.98,1284 1.417,1285 1.42,1286 0.469,1287 1.384,1288 1.023,1289 0.953,1290 1.344,1291 1.239,1292 0.358,1293 1.308,1294 0.934,1295 0.804,1296 1.285,1297 1.185,1298 0.312,1299 1.224,1300 0.882,1301 0.789,1302 1.246,1303 1.158,1305 1.197,1306 0.448,1307 0.362,1308 0.768,1309 0.894,1311 0.867,1312 3.497,1314 4.796,1315 2.398,1316 6.275,1317 4.727,1318 7.826,1319 6.783,1320 9.414,1322 5.479,1327 8.531,1328 0.305,1330 5.535,1334 -0.615,1337 5.317,1339 2.544,1340 18.918,1341 51.191,1342 111.191,1343 131.735,1344 133.735,1345 135.735,1346 135.735,1347 27.561,1348 5.403,1349 50.63,1350 50.63,1351 5,1352 11.654,1353 3,1354 2.7,1355 34.474,1356 41,1357 39,1358 0.428,1359 124.095,1360 214.3,1361 294.551,1362 1043,1364 12.182,1365 0.761,1366 0.61,1367 12.182,1368 9.766,1369 7.498,1370 0.469,1371 0.308,1372 4.81,1373 6.996,1374 4.563,1375 3.893,1376 7.498,1377 4.933,1378 6.824,1379 0.31,1380 0.183,1381 6.824,1382 4.025,1383 5.1,1384 0.204,1385 0.093,1386 5.1,1387 2.324,1388 3.335,1389 0.124,1390 0.046,1391 3.335,1392 1.245,1393 2.383,1394 0.088,1395 0.026,1396 2.383,1397 0.709,1398 0.649,1399 48.389,1400 0.324,1401 16.155,1402 1.228,1403 76,1404 247.508,1405 87.364,1406 237.173,1407 311.34,1408 218,1409 85,1410 226.678,1411 96.673,1412 228.844,1413 317.17,1414 209,1415 4.616}
{0 CHEMBL147524,1 1.533,2 7.067,3 1.227,4 1.505,5 58.889,6 6.719,7 0.4,8 3.496,9 3.633,10 2.946,11 2.927,12 4.623,13 2.905,14 3.997,15 4.208,16 3.215,17 3.243,18 5.111,19 3.187,20 4.15,21 4.355,22 3.206,23 3.337,24 5.226,25 3.254,26 4.246,27 4.49,28 3.054,29 3.207,30 5.332,31 3.124,32 3.939,33 4.151,34 2.958,35 3.088,36 5.051,37 3.016,38 3.936,39 4.165,40 2.803,41 3.05,42 5.007,43 2.924,44 3.92,45 4.211,46 2.42,47 2.873,48 4.808,49 2.696,50 3.597,51 3.873,52 2.089,53 2.586,54 4.657,55 2.372,56 0.022,57 0.423,58 7.153,59 2.622,60 7.007,61 3.799,62 0.32,63 0.596,64 12.699,65 4.009,66 24.424,67 5.986,68 0.099,69 0.647,70 14.518,71 5.129,72 20.123,73 7.3,74 0.328,75 0.595,76 17.063,77 4.669,78 48.63,79 6.857,80 0.164,81 0.528,82 12.001,83 3.539,84 23.685,85 5.341,86 0.161,87 0.51,88 11.854,89 3.801,90 24.214,91 5.74,92 0.194,93 0.44,94 12.027,95 3.408,96 27.209,97 5.379,98 0.165,99 0.33,100 8.534,101 2.653,102 28.091,103 4.092,104 26,105 19,106 0.299,107 0.631,108 0.768,109 0.818,110 0.818,111 0.818,112 2.792,113 0.963,114 -2.53,115 -2.56,116 -2.5,121 35.5,123 1,126 2,127 1,144 4,145 1,146 1,161 1,165 1,166 1,167 1,176 5,179 3,180 2,185 1,187 6,189 1,192 2,197 1,200 3,203 1,206 6,211 2,214 1,216 2,219 4,224 1,229 1,232 4,234 1,235 1,237 1,241 1,258 2,259 2,281 234,282 9.784,283 9.784,284 9.784,285 9.784,286 9.784,287 8.93,288 10.769,289 6.023,290 10.022,291 7.356,292 7.356,293 7.356,294 7.356,295 7.356,296 5.997,297 10.357,298 2.778,299 7.708,300 3.421,301 1.717,302 1.016,303 0.758,304 0.758,305 0.758,306 3.41,311 1,312 1,313 203,314 3.162,318 53.022,325 1.147,326 14.627,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 33,338 106,339 4.111,340 3.762,341 5.836,342 3.734,343 2.787,344 3.687,345 2.208,346 8.101,347 2.653,348 3.817,349 2.871,350 5.516,351 3.505,352 2.54,353 3.036,354 0.655,355 7.201,356 2.415,357 3.308,358 2.397,359 4.942,360 2.983,361 2.026,362 2.531,363 0.13,364 5.725,365 1.931,366 2.691,367 1.976,368 3.578,369 2.268,370 1.294,371 1.773,373 2.759,374 1.256,375 2.304,376 1.392,377 3.428,378 1.973,379 1,380 1.194,382 2.272,383 0.969,384 2.133,385 1.126,386 3.106,387 1.964,388 1,389 1.104,391 1.733,392 0.947,393 1.183,394 0.672,395 2.416,396 0.754,397 -0.215,398 -0.277,400 -0.455,401 -0.204,402 0.912,403 0.022,404 2,405 0.656,406 -0.308,407 -0.352,409 -0.623,410 -0.294,411 0.484,412 -0.362,413 1.722,414 -0.001,415 -1,416 -1,418 -2,419 -0.9,420 0.292,421 -0.6,422 1.418,423 -0.02,424 -1,425 -1.239,427 -2.06,428 -0.976,430 -0.938,431 1.321,432 -0.1,433 -1,434 -1.414,436 -2.628,437 -0.988,438 -0.237,439 -1.019,440 1.031,441 -0.496,442 -1.463,443 -1.813,445 -4.106,446 -1.428,447 -0.5,448 -1.332,449 1,450 -0.778,451 -1.747,452 -1.975,453 -0.4,454 -4.584,455 -1.583,456 -0.67,457 -1.567,458 0.456,459 -1,460 -1.916,461 -2.254,462 -0.889,463 -5.435,464 -1.798,465 -0.827,466 -2,467 0.229,468 -1.041,469 -2,470 -3,471 -1.704,472 -5.899,473 -2,474 6.967,475 0.464,476 0.37,477 0.025,478 17.25,479 1.15,480 8,481 0.533,482 9.25,483 0.617,484 9.727,485 0.648,486 17.633,487 0.569,488 11.584,489 0.772,490 3.733,491 0.249,492 3.398,493 0.227,494 0.249,496 0.273,501 0.858,502 1.53,503 0.915,504 1.313,505 0.761,506 1.137,507 0.66,508 0.781,509 0.867,510 0.835,511 0.533,512 0.86,513 0.98,514 1.255,515 0.991,516 1.323,517 0.789,518 1.186,519 1.77,520 0.868,521 1.071,522 0.797,523 1.671,524 0.831,525 1.362,526 1.172,527 1.15,528 1.077,529 1.292,530 1.074,531 0.89,532 1.294,533 1.139,534 1.307,535 0.936,536 1.28,537 1.082,538 0.887,539 1.083,540 0.908,541 1.212,542 0.985,543 0.636,544 1.07,545 1.208,546 1.275,547 0.94,548 1.344,549 3.5,551 1.333,552 0.75,553 0.622,554 0.375,555 0.285,556 0.149,557 0.049,559 1421,560 4003,561 1.852,562 51.6,564 12,567 2,569 2,572 1.53,573 1.698,574 2.883,575 0.496,577 1,579 1,582 47.526,583 1.533,584 3.237,585 3.938,586 4.196,587 4.196,588 4.196,589 2.289,590 3.507,591 3.876,592 2.962,593 311.012,594 6.493,595 2610.37,597 1,600 153.58,601 1.53,602 3.806,603 0.233,605 0.07,606 0.042,607 0.041,608 0.027,609 0.026,610 0.021,611 0.012,613 0.473,614 0.67,615 1,616 1.805,617 59.407,618 -0.063,619 -0.205,620 0.018,621 -0.121,622 -0.113,623 -0.045,624 0.31,625 0.365,626 0.107,627 0.192,628 0.166,629 0.135,630 -0.037,631 -0.21,632 -0.044,633 -0.239,634 0.011,635 -0.151,636 -0.264,637 -0.017,638 -0.027,639 0.127,640 -0.179,641 0.089,642 -0.219,643 -0.111,644 -0.16,645 -0.076,646 -0.147,647 -0.103,648 0.007,649 -0.271,650 -0.193,651 -0.289,652 -0.034,653 -0.285,654 -0.15,655 -0.01,656 -0.121,657 -0.001,658 -0.153,659 -0.049,660 0.133,661 -0.126,662 -0.277,663 -0.335,664 0.137,665 -0.387,666 2.042,667 4.26,668 0.4,669 9.253,670 1.001,671 1.139,672 1.302,673 1.695,674 0.621,675 2.773,676 2.996,677 3.091,678 3.178,679 3.296,680 3.178,681 3.091,682 2.944,683 2.485,684 1.609,685 4.364,686 0.586,687 208.29,688 2.773,689 4.234,690 5.004,691 5.82,692 6.616,693 7.438,694 8.242,695 9.066,696 9.873,697 10.698,698 6.5,699 1,705 1,715 4,720 2,722 6,737 1,741 31,743 7,744 1,745 15,747 31,748 11,749 6,750 2,751 4,756 1,757 1,763 1,770 1,772 7,773 4,777 1,782 1,786 1,790 1,793 16,794 4,795 2,796 4,802 2,808 1,809 2,829 1,851 1,859 1,864 2,868 15,869 1,876 2,878 1,881 1,893 6.5,896 1,898 1,901 8.833,902 5.95,903 3.528,904 1.672,907 1.282,908 1.242,909 0.904,910 4.432,911 6.575,912 2.996,913 3.45,914 3.834,915 4.25,916 4.69,917 4.644,918 4.691,919 4.775,920 4.193,921 3.27,922 0.8,923 18,924 5.501,925 -0.001,926 2.122,927 0.026,929 7.933,931 10.319,933 7.567,934 -0.001,936 2.433,937 36.5,938 0.003,941 164.795,942 74.529,943 36.022,945 36.145,948 74.529,949 200.94,950 36.022,951 16.793,952 40.662,953 37.905,954 25.145,955 19.429,956 6.763,957 164.795,959 164.795,960 110.551,961 36.145,964 141.253,965 59.687,968 40.662,969 69.889,972 164.795,973 72.166,974 74.529,977 164.795,978 19.832,979 57.822,981 69.042,982 164.795,983 72.166,984 74.529,986 0.558,987 0.305,988 0.143,989 0.079,990 7,991 4,992 0.129,993 4,995 1,996 2.676,997 85.328,999 6,1000 56.603,1005 11.852,1006 5.609,1007 3.795,1009 72.166,1010 7.388,1015 1.626,1017 32.897,1018 311.491,1019 19,1024 11.26,1028 -0.375,1031 31.043,1032 35.322,1034 0.309,1035 0.653,1036 0.795,1037 0.847,1038 0.847,1039 0.847,1040 4.167,1041 -0.308,1042 4.963,1043 -0.455,1044 3.664,1045 4.127,1046 2.32,1047 5.652,1048 3.574,1049 5.324,1050 -1,1051 6.46,1052 -0.623,1053 3.219,1054 3.829,1055 1.847,1056 6.337,1057 3.061,1058 6.584,1059 -1,1060 8.054,1061 -2,1062 5.142,1063 6.143,1064 3.527,1065 9.311,1066 4.956,1067 7.876,1068 -1,1069 9.7,1070 -2.06,1071 5.442,1072 6.558,1073 3.656,1074 10.723,1075 5.177,1076 9.196,1077 -1.463,1078 11.376,1079 -2.628,1080 6.876,1081 8.425,1082 4.955,1083 13.2,1084 6.593,1085 10.534,1086 -1.747,1087 13.07,1088 -4.106,1089 7.522,1090 9.177,1091 5.37,1092 14.929,1093 7.158,1094 11.884,1095 -1.916,1096 14.777,1097 -4.584,1098 8.735,1099 10.834,1100 6.458,1101 17.198,1102 8.352,1103 2.787,1104 -2,1105 16.492,1106 -5.435,1107 9.554,1108 11.777,1109 7.028,1110 19.088,1111 9.093,1112 2.54,1113 8.101,1114 18.213,1115 -5.899,1116 10.661,1117 13.313,1118 7.994,1119 21.26,1120 10.176,1121 2.026,1122 7.201,1123 19.94,1124 3.687,1125 11.57,1126 14.376,1127 8.654,1128 23.236,1129 11.013,1130 1.294,1131 5.725,1132 21.669,1133 3.036,1134 12.626,1135 15.835,1136 9.549,1137 25.36,1138 12.039,1139 1,1140 2.759,1141 23.402,1142 2.531,1143 13.582,1144 16.978,1145 10.263,1146 27.383,1147 12.929,1148 1,1149 2.272,1150 25.138,1151 1.773,1152 14.614,1153 18.386,1154 11.116,1155 29.484,1156 13.926,1157 -0.215,1158 1.733,1159 26.875,1160 1.194,1161 15.595,1162 19.582,1163 11.862,1164 31.533,1165 14.846,1166 1593,1167 2747,1168 9.246,1169 19.25,1170 21.527,1171 22.418,1172 22.415,1173 21.333,1174 21.294,1175 26.647,1176 5.986,1177 55.581,1178 20.343,1179 4.938,1180 5.762,1181 5.607,1182 4.775,1183 4.787,1184 6.687,1185 3.912,1186 14.001,1187 4.653,1188 8.946,1189 1.435,1190 1.495,1191 1.494,1192 1.422,1193 1.42,1194 1.776,1195 0.399,1196 3.705,1197 1.356,1198 3.939,1199 3.964,1200 3.876,1201 3.863,1202 7.433,1203 3.861,1204 3.624,1205 3.689,1206 3.532,1207 3.344,1208 5.013,1209 3.377,1210 3.461,1211 3.55,1212 3.289,1213 3.267,1214 4.797,1215 3.261,1216 3.051,1217 3.075,1218 2.914,1219 2.788,1220 4.285,1221 2.81,1222 2.881,1223 3.009,1224 2.699,1225 2.684,1226 4.07,1227 2.678,1228 2.874,1229 2.977,1230 2.595,1231 2.618,1232 3.74,1233 2.57,1234 2.722,1235 2.765,1236 2.499,1237 2.48,1238 3.467,1239 2.511,1240 2.423,1241 2.555,1242 2.102,1243 2.094,1244 3.258,1245 2.075,1246 0.274,1247 0.251,1248 0.389,1249 0.249,1250 0.186,1251 4.111,1252 0.246,1253 3.762,1254 0.147,1255 5.836,1256 0.54,1257 3.734,1258 0.177,1259 2.787,1260 3.687,1261 2.208,1262 8.101,1263 2.653,1264 1.914,1265 1.89,1266 2.038,1267 2.015,1268 1.215,1269 2.022,1270 1.523,1271 1.452,1272 1.786,1273 1.822,1274 0.859,1275 1.811,1276 1.443,1277 1.363,1278 1.717,1279 1.686,1280 0.827,1281 1.702,1282 0.934,1283 0.904,1284 1.417,1285 1.251,1286 0.469,1287 1.308,1288 0.931,1289 0.804,1290 1.204,1291 1.239,1292 0.236,1293 1.209,1294 0.873,1295 0.787,1296 1.134,1297 1.142,1298 0.164,1299 1.164,1300 0.638,1301 0.606,1302 0.903,1303 0.923,1305 0.925,1306 0.431,1307 0.288,1308 0.807,1309 0.762,1311 0.808,1312 3.434,1314 4.673,1316 6.098,1318 7.606,1320 9.156,1322 3.29,1326 5.444,1328 1.373,1330 5.109,1333 1.385,1340 18.16,1341 47.526,1342 100.361,1343 122.07,1344 130.07,1345 130.07,1346 130.07,1347 24.855,1348 5.293,1349 55.56,1350 55.56,1351 6,1352 11.279,1353 3,1354 2.322,1355 31.152,1356 38,1357 39,1358 0.416,1359 118.764,1360 204.62,1361 281.545,1362 928,1364 11.259,1365 0.751,1366 0.604,1367 11.259,1368 9.065,1369 7.13,1370 0.475,1371 0.321,1372 4.721,1373 6.783,1374 4.525,1375 3.863,1376 7.13,1377 4.814,1378 6.144,1379 0.323,1380 0.181,1381 6.144,1382 3.448,1383 4.432,1384 0.211,1385 0.091,1386 4.432,1387 1.902,1388 3.085,1389 0.134,1390 0.049,1391 3.085,1392 1.123,1393 2.306,1394 0.089,1395 0.027,1396 2.306,1397 0.7,1398 0.634,1399 45.273,1400 0.329,1401 15.342,1402 1.175,1403 68,1404 228.428,1405 77.195,1406 216.31,1407 283.66,1408 200,1409 74,1410 199.444,1411 82.478,1412 202.61,1413 287.94,1414 186,1415 6.638}
{0 CHEMBL147793,1 1.325,2 6.6,3 1.981,4 3.923,5 62.46,6 5.562,7 0.333,8 3.671,9 3.827,10 2.975,11 3.064,12 4.565,13 2.998,14 4.267,15 4.519,16 3.332,17 3.442,18 5.039,19 3.363,20 4.446,21 4.654,22 3.315,23 3.642,24 5.303,25 3.51,26 4.777,27 5.086,28 2.988,29 3.644,30 5.448,31 3.401,32 4.556,33 4.925,34 2.778,35 3.356,36 5.062,37 3.102,38 4.164,39 4.476,40 2.833,41 3.223,42 4.822,43 3.068,44 4.072,45 4.316,46 2.78,47 3.312,48 4.84,49 3.119,50 4.275,51 4.606,52 2.12,53 3.197,54 4.873,55 2.876,56 0.051,57 0.501,58 9.897,59 3.344,60 7.604,61 5.216,62 0.259,63 0.748,64 17.035,65 5.126,66 15.511,67 8.075,68 0.186,69 0.89,70 20.506,71 6.782,72 21.74,73 10.353,74 0.37,75 0.907,76 25.479,77 7.768,78 30.491,79 12.152,80 0.209,81 0.691,82 18.981,83 5.841,84 18.25,85 9.401,86 0.173,87 0.597,88 14.021,89 4.336,90 13.245,91 6.946,92 0.073,93 0.637,94 13.18,95 5.066,96 12.281,97 7.663,98 0.132,99 0.583,100 14.648,101 4.983,102 15.234,103 7.871,104 41,105 22,106 0.248,107 0.459,108 0.671,109 0.729,110 0.739,111 0.739,112 2.792,113 1.109,114 -3.15,115 -3.14,116 -3.02,121 31.6,122 5,125 1,126 1,128 1,129 1,147 1,153 1,163 1,176 3,180 3,182 2,187 4,189 1,192 3,200 3,205 1,206 1,216 2,229 3,232 2,239 2,244 3,251 3,281 203,282 9.024,283 9.024,284 9.024,285 9.024,286 9.024,287 8.297,288 10.291,289 5.017,290 9.39,291 7.309,292 7.309,293 7.309,294 7.309,295 7.309,296 6.281,297 12.121,298 2.322,299 7.866,300 3.923,301 2.796,302 1.665,303 1.357,304 1.304,305 1.304,306 3.394,311 1,312 1,313 190,314 3.536,317 46.655,325 1.013,326 6.927,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 32,338 99,339 4.359,340 3.402,341 7.053,342 4.27,343 3.286,344 4.033,345 1.041,346 11.338,347 3.235,348 4.277,349 3.14,350 6.359,351 3.893,352 2.978,353 3.284,355 9.479,356 2.722,357 3.168,358 2.328,359 4.954,360 2.819,361 1.932,362 2.335,364 5.437,365 1.711,366 2.589,367 1.823,368 4.377,369 2.426,370 1.517,371 1.6,373 4.088,374 1.37,375 2.562,376 1.374,377 3.842,378 2.121,379 1.161,380 1.579,382 2.823,383 1.112,384 1.589,385 0.876,386 3.141,387 1.415,388 0.51,389 0.541,391 1.153,392 0.457,393 0.894,394 0.146,395 2.411,396 0.704,397 -0.229,398 -0.248,400 -0.489,401 -0.212,402 0.201,403 -0.702,404 2,406 -1,407 -1,409 -2.565,410 -0.896,412 -0.892,413 2,415 -1,416 -1,418 -2.988,419 -1,421 -1,422 2,423 -0.1,424 -1,425 -1.113,427 -3,428 -1,429 -0.094,430 -1,431 1.743,432 -0.291,433 -1.222,434 -1.379,436 -3,437 -1.13,438 -0.256,439 -1.204,440 1.439,441 -0.521,442 -1.486,443 -1.556,445 -4.25,446 -1.389,447 -0.372,448 -1.576,449 1.226,450 -0.773,451 -1.683,452 -1.893,454 -4.893,455 -1.566,456 -0.529,457 -1.718,458 0.818,459 -0.869,460 -1.794,461 -2.535,463 -6.429,464 -1.655,465 -0.889,466 -1.798,467 0.639,468 -1.094,469 -1.97,470 -2.649,471 -1.041,472 -6.703,473 -1.758,474 7.133,475 0.476,476 0.68,477 0.045,478 12.5,479 0.833,480 3,481 0.2,482 9.5,483 0.633,484 16.028,485 1.069,486 18.967,487 0.499,488 6.778,489 0.452,490 2.27,491 0.151,492 4.55,493 0.303,494 0.421,495 0.07,496 0.252,501 0.97,502 1.985,503 1.126,504 1.64,505 1.324,506 1.43,507 1.404,508 0.883,509 0.906,510 0.773,511 0.968,512 0.779,513 1.584,514 1.519,515 1.466,516 1.561,517 1.359,518 1.508,519 1.53,520 0.984,521 1.181,522 1.048,523 1.574,524 1.087,525 0.848,526 0.663,527 0.636,528 0.6,529 0.707,530 0.6,531 1.299,532 0.616,533 0.943,534 0.585,535 0.944,536 0.693,537 0.485,538 1.55,539 1.316,540 1.575,541 0.816,542 1.539,543 0.618,544 1.105,545 1.254,546 1.255,547 0.947,548 1.303,549 5,551 2.889,552 1.167,553 0.445,554 0.444,555 0.408,556 0.216,559 1390,560 2325,561 1.769,562 60.5,563 9,564 4,565 3,566 1,568 3,569 3,572 1.527,573 1.565,574 2.732,575 -0.781,577 1,579 1,582 50.36,583 1.325,584 2.452,585 3.583,586 3.891,587 3.944,588 3.944,589 2.149,590 3.323,591 3.885,592 2.862,593 300.552,594 6.49,595 2557.25,597 1,600 199.421,601 1.806,602 3.74,603 0.333,605 0.131,606 0.061,607 0.04,608 0.04,609 0.031,610 0.02,613 0.658,614 0.83,615 1,616 1.831,617 59.186,618 0.079,619 -0.517,620 0.063,621 -0.275,622 -0.226,623 -0.132,624 0.118,625 0.281,626 0.229,627 0.272,628 0.209,629 0.263,630 -0.169,631 -0.261,632 -0.324,633 -0.37,634 -0.048,635 -0.36,636 -0.094,637 -0.103,638 -0.187,639 -0.137,640 -0.236,641 -0.171,642 0.038,643 0.089,644 0.241,645 0.216,646 0.146,647 0.244,648 -0.19,649 0.393,650 0.07,651 0.342,652 -0.011,653 0.252,654 -0.074,655 -0.307,656 -0.319,657 -0.351,658 -0.109,659 -0.363,660 -0.12,661 -0.151,662 -0.359,663 -0.309,664 -0.252,665 -0.35,666 1.079,667 2.336,668 0.333,669 8.098,670 0.982,671 1.146,672 1.918,673 3.678,674 0.591,675 2.773,676 3.135,677 3.219,678 3.135,679 3.045,680 3.045,681 2.996,682 2.833,683 2.485,684 1.386,685 4.281,686 0.534,687 211.37,688 2.773,689 4.317,690 5.118,691 5.979,692 6.804,693 7.661,694 8.492,695 9.347,696 10.182,697 11.036,698 5.3,706 1,708 1,715 2,720 1,721 2,722 5,741 38,743 5,745 15,747 38,748 12,749 3,756 1,757 1,763 5,764 1,770 1,772 3,773 9,790 1,793 23,794 1,796 3,799 1,802 2,803 1,808 1,809 1,828 1,858 1,859 1,864 6,868 15,876 1,878 1,880 1,882 1,893 2.6,897 1,901 9.583,902 8.617,903 3.222,904 2.254,907 0.901,908 1.172,909 0.863,910 3.818,911 6.137,912 2.918,913 3.474,914 3.837,915 4.14,916 4.073,917 4,918 4.018,919 4.095,920 3.944,921 2.784,922 1,923 19,924 5.547,925 -0.001,926 2.118,927 0.026,929 7.45,931 10.957,933 8.404,934 -0.001,936 1.95,937 29.25,938 0.008,941 270.735,942 77.109,943 3.798,945 11,948 77.109,949 281.735,950 3.798,951 52.522,952 4.164,953 9.047,954 26.998,955 10.947,956 35.313,957 223.651,959 270.735,960 80.907,961 11,964 235.422,965 35.313,966 11,968 61.564,969 17.444,970 1.899,972 270.735,973 14.798,974 77.109,977 270.735,978 6.491,979 74.415,981 11,982 270.735,983 14.798,984 77.109,986 0.613,987 0.334,988 0.114,989 0.048,990 10,991 6,992 0.105,993 4,995 1,996 2.566,997 88.277,999 5,1000 51.848,1005 12.563,1006 4.559,1007 3.229,1009 11,1010 4.088,1015 1.205,1016 4.202,1018 362.642,1019 17.5,1031 37.309,1032 43.566,1034 0.253,1035 0.467,1036 0.683,1037 0.742,1038 0.752,1039 0.752,1040 4.193,1041 -1,1042 5.22,1043 -0.489,1044 3.807,1045 4.151,1046 1.153,1047 6.08,1048 3.675,1049 5.446,1050 -1,1051 6.858,1052 -2.565,1053 3.892,1054 4.27,1056 7.441,1057 3.771,1058 6.795,1059 -1,1060 8.611,1061 -2.988,1062 5.565,1063 6.293,1064 1.208,1065 10.333,1066 5.348,1067 8.178,1068 -1.222,1069 10.428,1070 -3,1071 6.365,1072 7.141,1074 12.39,1075 6.169,1076 9.589,1077 -1.486,1078 12.281,1079 -3,1080 7.676,1081 8.77,1082 1.265,1083 14.935,1084 7.417,1085 11.016,1086 -1.683,1087 14.158,1088 -4.25,1089 8.717,1090 9.913,1092 17.216,1093 8.465,1094 12.455,1095 -1.794,1096 16.051,1097 -4.893,1098 9.926,1099 11.395,1100 1.324,1101 19.664,1102 9.635,1103 3.286,1104 -1.97,1105 17.955,1106 -6.429,1107 11.047,1108 12.669,1110 22.024,1111 10.753,1112 2.978,1113 11.338,1114 19.868,1115 -6.703,1116 12.226,1117 14.092,1118 1.383,1119 24.444,1120 11.909,1121 1.932,1122 9.479,1123 21.786,1124 4.033,1125 13.377,1126 15.427,1128 26.837,1129 13.052,1130 1.517,1131 5.437,1132 23.709,1133 3.284,1134 14.549,1135 16.827,1136 1.444,1137 29.251,1138 14.207,1139 1.161,1140 4.088,1141 25.636,1142 2.335,1143 15.712,1144 18.19,1146 31.658,1147 15.361,1148 0.51,1149 2.823,1150 27.566,1151 1.6,1152 16.883,1153 19.583,1154 1.506,1155 34.074,1156 16.521,1157 -0.229,1158 1.153,1159 29.498,1160 1.579,1161 18.052,1162 20.961,1164 36.488,1165 17.681,1166 1571,1167 2093,1168 8.553,1169 22.461,1170 23.09,1171 23.327,1172 24.251,1173 22.689,1174 22.769,1175 26.746,1176 2.082,1177 68.636,1178 21.214,1179 5.249,1180 5.2,1181 6.414,1182 5.364,1183 5.256,1184 6.682,1185 2.082,1186 18.041,1187 4.993,1188 10.575,1189 1.539,1190 1.555,1191 1.617,1192 1.513,1193 1.518,1194 1.783,1195 0.139,1196 4.576,1197 1.414,1198 4.029,1199 4.094,1200 3.971,1201 3.813,1202 4.862,1203 3.844,1204 3.799,1205 3.852,1206 3.669,1207 3.674,1208 4.557,1209 3.665,1210 3.318,1211 3.396,1212 3.134,1213 3.072,1214 4.17,1215 3.068,1216 3.151,1217 3.263,1218 2.901,1219 2.91,1220 3.802,1221 2.894,1222 3.075,1223 3.181,1224 2.808,1225 2.883,1226 3.752,1227 2.852,1228 2.874,1229 3.009,1230 2.597,1231 2.634,1232 3.629,1233 2.611,1234 2.874,1235 3.009,1236 2.499,1237 2.618,1238 3.467,1239 2.57,1240 2.871,1241 2.968,1242 2.499,1243 2.618,1244 3.467,1245 2.57,1246 0.291,1247 0.227,1248 0.47,1249 0.285,1250 0.219,1251 4.359,1252 0.269,1253 3.402,1254 0.069,1255 7.053,1256 0.756,1257 4.27,1258 0.216,1259 3.286,1260 4.033,1261 1.041,1262 11.338,1263 3.235,1264 1.807,1265 1.758,1266 2.031,1267 1.985,1268 1.292,1269 1.996,1270 1.651,1271 1.578,1272 1.848,1273 1.893,1274 0.99,1275 1.887,1276 1.537,1277 1.47,1278 1.737,1279 1.77,1280 0.835,1281 1.766,1282 1.262,1283 1.174,1284 1.632,1285 1.515,1286 0.734,1287 1.559,1288 1.052,1289 0.939,1290 1.474,1291 1.338,1292 0.562,1293 1.393,1294 0.934,1295 0.804,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.934,1301 0.804,1302 1.417,1303 1.239,1304 0.469,1305 1.308,1306 0.883,1307 0.789,1308 1.267,1309 1.164,1310 0.356,1311 1.205,1312 3.434,1314 4.779,1315 2.398,1316 6.282,1317 4.727,1318 7.844,1319 6.763,1320 9.434,1322 12.837,1328 0.63,1330 5.836,1332 0.254,1334 0.198,1340 20.289,1341 50.36,1342 93.183,1343 136.137,1344 147.872,1345 149.872,1346 149.872,1347 23.89,1348 5.236,1349 18.04,1350 18.04,1351 5,1352 11.595,1353 2.585,1354 1.807,1355 31.309,1356 39,1357 28,1358 0.422,1359 131.679,1360 219.73,1361 313.056,1362 829,1364 11.638,1365 0.776,1366 0.72,1367 11.638,1368 10.795,1369 6.82,1370 0.455,1371 0.37,1372 5.448,1373 6.482,1374 5.008,1375 4.346,1376 6.82,1377 5.545,1378 7.018,1379 0.319,1380 0.243,1381 7.018,1382 5.357,1383 5.083,1384 0.212,1385 0.133,1386 5.083,1387 3.202,1388 2.772,1389 0.126,1390 0.058,1391 2.772,1392 1.278,1393 1.693,1394 0.085,1395 0.034,1396 1.693,1397 0.675,1398 0.645,1399 43.065,1400 0.342,1401 15.222,1402 1.185,1403 74,1404 163.714,1405 82.205,1406 155.798,1407 211.78,1408 146,1409 83,1410 155.898,1411 92.343,1412 161.384,1413 227.79,1414 146,1415 4.481}
{0 CHEMBL147968,1 1.494,2 9.412,3 2.371,4 5.622,5 68.01,6 6.163,7 0.294,8 3.722,9 3.868,10 3.103,11 3.079,12 4.775,13 3.044,14 4.269,15 4.505,16 3.29,17 3.415,18 5.111,19 3.334,20 4.442,21 4.707,22 3.276,23 3.526,24 5.228,25 3.392,26 4.517,27 4.799,28 3.248,29 3.475,30 5.34,31 3.33,32 4.432,33 4.727,34 3.116,35 3.321,36 5.31,37 3.196,38 4.318,39 4.589,40 2.863,41 3.214,42 5.234,43 3.064,44 4.137,45 4.442,46 2.689,47 3.109,48 4.815,49 2.934,50 4.003,51 4.294,52 2.611,53 3.035,54 4.756,55 2.86,56 0.083,57 0.516,58 9.956,59 3.209,60 13.27,61 4.999,62 0.28,63 0.732,64 17.108,65 4.798,66 16.85,67 7.721,68 0.226,69 0.793,70 19.703,71 6.193,72 19.082,73 9.606,74 0.376,75 0.762,76 21.505,77 5.76,78 26.479,79 9.522,80 0.327,81 0.639,82 19.802,83 4.905,84 30.83,85 8.168,86 0.435,87 0.563,88 17.848,89 4.564,90 41.158,91 7.313,92 0.201,93 0.518,94 14.275,95 4.019,96 15.187,97 6.594,98 0.145,99 0.483,100 12.464,101 3.65,102 14.566,103 5.977,104 23,105 20,106 0.276,107 0.542,108 0.771,109 0.847,110 0.875,111 0.875,112 2.904,113 1.092,114 -2.54,115 -2.56,116 -2.5,121 30.8,122 1,123 4,126 1,127 1,128 1,147 1,153 1,157 1,163 1,172 1,176 4,180 1,182 2,187 3,191 1,192 1,194 1,200 2,205 1,206 1,209 1,213 1,214 1,216 1,218 1,219 1,229 1,232 2,235 1,241 1,244 2,253 1,256 2,261 1,266 1,269 2,274 1,281 366,282 11.673,283 11.673,284 11.673,285 11.673,286 11.673,287 10.653,288 13.118,289 7.627,290 12.095,291 8.336,292 8.336,293 8.336,294 8.336,295 8.336,296 7.022,297 18.506,298 3.512,299 8.954,300 3.792,301 2.354,302 1.116,303 0.705,304 0.552,305 0.552,306 3.537,311 1,312 1,313 312,314 3.24,317 54.684,325 1.446,326 9.745,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 37.5,338 160,339 4.398,340 3.631,341 6.47,342 3.94,343 3.024,344 4.086,345 1.697,346 10.003,347 2.769,348 3.184,349 3.095,350 4.954,351 2.882,352 1.973,353 2.346,354 1.041,355 5.426,356 1.821,357 3.041,358 2.412,359 4.115,360 2.742,361 1.784,362 2.129,364 3.68,365 1.68,366 2.835,367 1.904,368 3.833,369 2.475,370 1.529,371 1.84,373 3.548,374 1.443,375 2.431,376 1.626,377 3.421,378 2.311,379 1.376,380 1.428,382 2.685,383 1.28,384 2.358,385 1.442,386 3.123,387 1.827,388 0.873,389 1.22,391 1.648,392 0.83,393 1.861,394 1.01,395 2.869,396 1.737,397 0.807,398 0.841,400 1.418,401 0.744,402 1.27,403 0.67,404 2.285,405 1.176,406 0.224,407 0.231,409 0.389,410 0.212,411 0.908,412 0.397,413 2,414 0.792,415 -0.168,416 -0.177,418 -0.286,419 -0.161,420 0.485,421 -0.15,422 1.841,423 0.316,424 -0.621,425 -0.659,427 -1.078,428 -0.575,429 0.373,430 -0.432,431 1.523,432 0.054,433 -0.871,434 -1.052,436 -1.643,437 -0.804,438 0.051,439 -0.961,440 1.384,441 -0.199,442 -1.139,443 -1.231,445 -2.388,446 -1.068,447 -0.272,448 -1.209,449 0.881,450 -0.535,451 -1.46,452 -1.623,454 -3.204,455 -1.339,456 -0.313,457 -1.462,458 0.704,459 -0.754,460 -1.69,461 -1.885,463 -3.644,464 -1.554,465 -0.517,466 -1.717,467 0.319,468 -0.825,469 -1.77,470 -2.248,472 -4.634,473 -1.66,474 7.867,475 0.463,476 0.209,477 0.012,478 15.5,479 0.912,480 4.5,481 0.265,482 11,483 0.647,484 14.402,485 0.847,486 21.233,487 0.544,488 9.561,489 0.562,490 3.146,491 0.185,492 5.145,493 0.303,494 0.169,496 0.165,501 0.856,502 1.893,503 1.004,504 1.559,505 0.806,506 1.341,507 1.112,508 1.085,509 1.079,510 1.011,511 0.604,512 1.027,513 0.774,514 1.096,515 0.942,516 1.16,517 0.597,518 1.093,519 0.82,520 1.109,521 0.957,522 1.101,523 0.603,524 1.058,525 1.203,526 0.842,527 0.942,528 0.879,529 0.976,530 0.859,531 1.596,532 0.864,533 1.195,534 0.881,535 1.828,536 0.983,537 0.935,538 0.884,539 0.958,540 0.876,541 0.649,542 0.913,543 0.796,544 1.086,545 1.045,546 1.089,547 1.015,548 1.099,549 2,550 0.053,551 1.556,552 1.042,553 0.49,554 0.271,555 0.137,556 0.103,557 0.081,558 0.065,559 2320,560 5264,561 1.901,562 56.4,563 9,564 5,565 3,566 2,567 1,569 2,572 1.563,573 1.789,574 3.199,575 -0.198,577 1,579 1,582 58.249,583 1.494,584 2.931,585 4.17,586 4.58,587 4.734,588 4.734,589 2.705,590 3.97,591 4.05,592 3.346,593 455.102,594 6.821,595 4379.23,596 1,597 1,599 1,600 206.131,601 1.29,602 4.021,603 0.118,604 0.009,605 0.078,606 0.055,607 0.029,608 0.018,609 0.012,610 0.01,611 0.009,612 0.008,613 0.346,614 0.67,615 1,616 2.611,617 73.088,618 0.106,619 -0.432,620 0.05,621 -0.219,622 0.118,623 -0.118,624 -0.054,625 0.099,626 -0.046,627 0.054,628 -0.003,629 0.009,630 0.04,631 -0.029,632 0.015,633 -0.083,634 0.036,635 -0.047,636 0.151,637 -0.129,638 0.019,639 -0.132,640 0.095,641 -0.087,642 -0.03,643 0.058,644 0.06,645 0.014,646 0.087,647 0.057,648 -0.115,649 0.007,650 -0.16,651 0.043,652 -0.15,653 -0.06,654 -0.099,655 0.043,656 -0.017,657 0.075,658 -0.05,659 0.047,660 -0.084,661 -0.071,662 -0.112,663 -0.083,664 -0.113,665 -0.098,666 1.006,667 2.558,668 0.294,669 14.505,670 0.996,671 1.15,672 1.306,673 1.705,674 0.594,675 2.89,676 3.045,677 3.219,678 3.367,679 3.296,680 3.135,681 3.045,682 2.944,683 2.833,684 2.708,685 5.512,686 0.551,687 240.37,688 2.89,689 4.317,690 5.094,691 5.9,692 6.711,693 7.535,694 8.362,695 9.198,696 10.034,697 10.876,698 7.7,706 1,707 1,708 1,715 2,720 1,721 2,722 5,726 1,741 39,743 6,745 17,747 39,748 12,749 3,752 1,756 1,757 1,763 1,770 4,772 4,773 8,777 1,784 1,785 1,790 1,793 22,794 3,795 1,796 5,799 1,802 3,803 1,808 1,809 2,828 1,857 1,858 1,859 1,864 2,868 17,875 1,876 6,878 1,893 5.1,897 1,898 1,901 9.5,902 7.267,903 4.222,904 2.555,907 1.185,908 1.215,909 0.866,910 6.891,911 6.694,912 3.068,913 3.474,914 3.939,915 4.429,916 4.48,917 4.447,918 4.455,919 4.317,920 4.156,921 4.108,922 1,923 19,924 6.239,926 2.34,927 0.026,929 7.686,931 12.143,933 8.981,936 2.186,937 37.167,938 0.003,941 247.193,942 65.586,943 17.046,945 53.806,948 65.586,949 300.999,950 17.046,951 17.222,952 18.894,953 9.047,954 47.817,955 67,956 35.313,957 188.338,959 247.193,960 82.631,961 53.806,964 223.651,965 66.348,966 11,968 54.241,969 17.444,970 10.947,972 247.193,973 70.851,974 65.586,977 247.193,978 21.222,979 48.162,981 67.053,982 247.193,983 70.851,984 65.586,986 0.525,987 0.3,988 0.164,989 0.082,990 6,991 3,992 0.205,993 8,995 1,996 3.028,997 97.721,999 5,1000 69.487,1005 14.192,1006 8.254,1007 4.875,1009 67.053,1010 3.806,1015 0.807,1016 3.777,1017 42.806,1018 383.63,1019 20.5,1026 1.403,1027 3.046,1031 38.854,1032 44.858,1034 0.283,1035 0.555,1036 0.789,1037 0.867,1038 0.896,1039 0.896,1040 4.208,1041 0.224,1042 4.99,1043 1.418,1044 3.714,1045 4.151,1046 2.189,1047 5.687,1048 3.568,1049 5.322,1050 -0.168,1051 6.472,1052 0.389,1053 2.944,1054 3.726,1056 6.475,1057 2.682,1058 6.566,1059 -0.621,1060 8.078,1061 -0.286,1062 5.153,1063 6.2,1064 2.993,1065 9.597,1066 4.839,1067 7.864,1068 -0.871,1069 9.765,1070 -1.078,1071 5.398,1072 6.843,1074 11.371,1075 4.949,1076 9.212,1077 -1.139,1078 11.508,1079 -1.643,1080 6.956,1081 8.67,1082 3.938,1083 13.952,1084 6.457,1085 10.597,1086 -1.46,1087 13.289,1088 -2.388,1089 7.696,1090 9.772,1092 16.066,1093 7.072,1094 12.01,1095 -1.69,1096 15.095,1097 -3.204,1098 8.981,1099 11.347,1100 4.951,1101 18.471,1102 8.294,1103 3.024,1104 -1.77,1105 16.92,1106 -3.644,1107 9.94,1108 12.634,1110 20.704,1111 9.143,1112 1.973,1113 10.003,1114 18.757,1115 -4.634,1116 11.116,1117 14.109,1118 5.992,1119 23.047,1120 10.244,1121 1.784,1122 5.426,1123 20.602,1124 4.086,1125 12.164,1126 15.469,1128 25.323,1129 11.193,1130 1.529,1131 3.68,1132 22.453,1133 2.346,1134 13.298,1135 16.904,1136 7.044,1137 27.641,1138 12.246,1139 1.376,1140 3.548,1141 24.308,1142 2.129,1143 14.382,1144 18.292,1146 29.933,1147 13.236,1148 0.873,1149 2.685,1150 26.167,1151 1.84,1152 15.499,1153 19.711,1154 8.099,1155 32.243,1156 14.268,1157 0.807,1158 1.648,1159 28.028,1160 1.428,1161 16.596,1162 21.111,1164 34.541,1165 15.275,1166 2531,1167 3949,1168 10.92,1169 23.159,1170 23.461,1171 25.365,1172 24.63,1173 23.218,1174 23.181,1175 28.241,1176 5.476,1177 57.593,1178 21.556,1179 5.32,1180 5.478,1181 6.434,1182 5.023,1183 4.998,1184 6.793,1185 3.394,1186 16.5,1187 4.594,1188 8.876,1189 1.38,1190 1.492,1191 1.449,1192 1.366,1193 1.364,1194 1.661,1195 0.322,1196 3.388,1197 1.268,1198 4.028,1199 4.092,1200 3.979,1201 3.807,1202 6.546,1203 3.843,1204 3.744,1205 3.811,1206 3.575,1207 3.61,1208 4.865,1209 3.591,1210 3.469,1211 3.537,1212 3.289,1213 3.269,1214 4.503,1215 3.257,1216 3.251,1217 3.322,1218 3.165,1219 2.962,1220 4.157,1221 2.989,1222 3.223,1223 3.311,1224 3.016,1225 2.952,1226 4.04,1227 2.964,1228 2.998,1229 3.097,1230 2.741,1231 2.762,1232 3.822,1233 2.739,1234 2.798,1235 2.909,1236 2.506,1237 2.578,1238 3.701,1239 2.546,1240 2.464,1241 2.597,1242 2.224,1243 2.166,1244 3.274,1245 2.129,1246 0.259,1247 0.214,1248 0.381,1249 0.232,1250 0.178,1251 4.398,1252 0.24,1253 3.631,1254 0.1,1255 6.47,1256 0.588,1257 3.94,1258 0.163,1259 3.024,1260 4.086,1261 1.697,1262 10.003,1263 2.769,1264 1.759,1265 1.698,1266 2.02,1267 1.952,1268 1.347,1269 1.968,1270 1.644,1271 1.579,1272 1.808,1273 1.893,1274 1.026,1275 1.876,1276 1.551,1277 1.484,1278 1.782,1279 1.791,1280 0.917,1281 1.789,1282 1.432,1283 1.356,1284 1.696,1285 1.649,1286 0.828,1287 1.678,1288 1.083,1289 1.006,1290 1.416,1291 1.432,1292 0.597,1293 1.406,1294 1.003,1295 0.908,1296 1.342,1297 1.296,1298 0.358,1299 1.326,1300 0.841,1301 0.736,1302 1.234,1303 1.121,1304 0.315,1305 1.171,1306 0.531,1307 0.415,1308 1.026,1309 0.918,1310 0.211,1311 0.939,1312 3.555,1314 4.745,1315 2.398,1316 6.12,1317 4.727,1318 7.598,1319 6.783,1320 9.142,1322 4.093,1327 8.558,1328 6.103,1330 5.573,1340 21.498,1341 58.249,1342 114.317,1343 162.621,1344 178.621,1345 184.621,1346 184.621,1347 27.976,1348 5.509,1349 50.63,1350 50.63,1351 5,1352 11.442,1353 2.807,1354 2.17,1355 38.441,1356 54,1357 64,1358 0.347,1359 139.542,1360 236.88,1361 332.243,1362 1358,1364 12.51,1365 0.736,1366 0.631,1367 12.51,1368 10.725,1369 8.291,1370 0.488,1371 0.364,1372 6.057,1373 7.782,1374 5.879,1375 5.015,1376 8.291,1377 6.186,1378 6.324,1379 0.316,1380 0.21,1381 6.324,1382 4.195,1383 4.88,1384 0.203,1385 0.116,1386 4.88,1387 2.788,1388 3.769,1389 0.135,1390 0.063,1391 3.769,1392 1.758,1393 2.568,1394 0.099,1395 0.037,1396 2.568,1397 0.969,1398 0.556,1399 53.292,1400 0.303,1401 17.832,1402 0.908,1403 74,1404 225.508,1405 84.035,1406 210.715,1407 275.98,1408 196,1409 81,1410 194.86,1411 92.008,1412 194.713,1413 271.71,1414 179,1415 4.602}
{0 CHEMBL148760,1 1.511,2 8.55,3 4.025,4 16.198,5 84.931,6 7.211,7 0.286,8 3.744,9 3.871,10 3.339,11 3.344,12 4.796,13 3.261,14 4.292,15 4.493,16 3.74,17 3.726,18 5.239,19 3.621,20 4.507,21 4.713,22 3.743,23 3.892,24 5.487,25 3.731,26 4.603,27 4.836,28 3.572,29 3.858,30 5.568,31 3.669,32 4.463,33 4.706,34 3.571,35 3.754,36 5.389,37 3.591,38 4.392,39 4.616,40 3.358,41 3.701,42 5.345,43 3.513,44 4.363,45 4.634,46 3.289,47 3.53,48 5.312,49 3.335,50 4.124,51 4.372,52 2.958,53 3.279,54 5.095,55 3.092,56 0.035,57 0.568,58 9.365,59 3.998,60 9.445,61 5.272,62 0.216,63 0.942,64 19.075,65 6.452,66 16.768,67 8.759,68 0.125,69 1.126,70 23.746,71 9.147,72 25.134,73 11.713,74 0.244,75 1.164,76 30.114,77 10.417,78 48.318,79 12.654,80 0.16,81 1.018,82 22.637,83 8.367,84 26.81,85 11.147,86 0.12,87 0.96,88 22.616,89 8.547,90 25.215,91 10.818,92 0.203,93 0.878,94 20.487,95 7.643,96 30.369,97 10.126,98 0.185,99 0.7,100 17.683,101 5.75,102 31.624,103 7.212,104 38,105 29,106 0.272,107 0.634,108 0.819,109 0.84,110 0.84,111 0.84,112 3.057,113 1.081,114 -4.17,115 -4.11,116 -3.89,121 40,122 1,123 2,126 2,129 2,142 1,143 1,144 3,145 2,146 1,161 1,176 7,179 1,180 2,185 4,187 11,197 4,200 9,206 4,211 1,214 6,219 4,224 2,227 10,232 2,239 5,244 4,247 2,251 5,264 2,269 4,281 498,282 13.093,283 13.093,284 13.093,285 13.093,286 13.093,287 12.134,288 17.212,289 7.618,290 13.452,291 10.266,292 10.266,293 10.266,294 10.266,295 10.266,296 8.572,297 20.062,298 3.542,299 10.826,300 3.811,301 1.803,302 0.775,303 0.657,304 0.657,305 0.657,306 3.71,310 1,311 1,312 1,313 344,314 3.742,317 45.597,318 51.533,321 81.474,325 1.405,326 15.251,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 42,338 171,339 4.385,340 4.771,341 6.554,342 4.089,343 3.104,344 3.981,345 4.341,346 10.397,347 3.059,348 3.919,349 3.567,350 5.809,351 3.602,352 2.701,353 3.147,354 0.911,355 7.852,356 2.405,357 3.731,358 3.323,359 5.321,360 3.34,361 2.38,362 2.774,363 0.855,364 6.691,365 2.279,366 3.5,367 2.988,368 5.148,369 3.107,370 2.164,371 2.613,372 0.44,373 6.174,374 2.025,375 3.146,376 2.191,377 4.783,378 2.784,379 1.798,380 2.203,381 0.221,382 5.107,383 1.768,384 2.698,385 2.067,386 4.103,387 2.236,388 1.253,389 1.527,391 3.379,392 1.227,393 2.381,394 1.641,395 3.533,396 1.99,397 1.052,398 1.227,400 2.419,401 0.958,402 2.312,403 1.368,404 3.249,405 1.716,406 0.73,407 0.89,409 1.688,410 0.715,411 1.902,412 1.003,413 2.788,414 1.326,415 0.34,416 0.564,418 0.495,419 0.334,420 1.188,421 0.646,422 2.532,423 0.817,424 -0.127,425 -0.155,427 -0.298,428 -0.117,429 0.747,430 0.385,431 2.181,432 0.468,433 -0.485,434 -0.552,436 -1.27,437 -0.456,438 0.581,439 -0.201,440 2,441 0.135,442 -0.858,443 -1,445 -2,446 -0.844,447 0.267,448 -0.6,449 1.89,450 -0.021,451 -1,452 -1.15,454 -2.382,455 -0.9,457 -0.741,458 1.634,459 -0.1,460 -1,461 -1.205,463 -2.699,464 -0.965,465 -0.162,466 -0.843,467 1.36,468 -0.373,469 -1.36,470 -1.601,472 -3.074,473 -1.311,474 9.967,475 0.498,476 0.579,477 0.029,478 22,479 1.1,480 10,481 0.5,482 12,483 0.6,484 17.575,485 0.879,486 21.833,487 0.546,488 14.752,489 0.738,490 4.189,491 0.209,492 5.318,493 0.266,494 0.234,496 0.341,501 0.751,502 1.267,503 0.817,504 0.988,505 0.638,506 1.002,507 0.804,508 0.922,509 0.797,510 0.832,511 0.515,512 0.814,513 0.846,514 1.17,515 1.088,516 1.146,517 0.678,518 1.128,519 1.428,520 1.05,521 1.429,522 1.221,523 1.509,524 1.072,525 0.868,526 0.971,527 0.858,528 0.927,529 0.862,530 0.939,531 0.803,532 1.213,533 1.318,534 1.341,535 0.922,536 1.231,537 0.685,538 0.932,539 0.816,540 0.928,541 0.978,542 0.964,543 1.835,544 1.029,545 1.341,546 1.092,547 1.794,548 1.076,549 5,550 0.033,551 2.444,552 1.229,553 1.008,554 0.615,555 0.489,556 0.345,557 0.182,558 0.1,559 3350,560 8696,561 1.938,562 50,563 2,564 11,565 1,567 1,569 5,572 1.619,573 1.765,574 3.11,575 -0.32,577 1,582 60.439,583 1.511,584 3.519,585 4.546,586 4.665,587 4.665,588 4.665,589 2.504,590 4.122,591 4.289,592 3.233,593 614.362,594 7.338,595 6303.09,597 1,598 1,599 1,600 212.877,601 1.559,602 4.219,603 0.238,604 0.006,605 0.084,606 0.044,607 0.042,608 0.026,609 0.024,610 0.02,611 0.015,612 0.014,613 0.514,614 0.83,615 1,616 1.713,617 88.615,618 -0.006,619 -0.112,620 0.069,621 0.013,622 -0.043,623 0.005,624 0.151,625 0.195,626 0.187,627 0.152,628 0.071,629 0.155,630 -0.036,631 -0.12,632 -0.053,633 -0.099,634 0.033,635 -0.127,636 -0.191,637 -0.049,638 -0.209,639 -0.097,640 -0.17,641 -0.077,642 0.004,643 -0.004,644 0.081,645 0.044,646 0.007,647 0.048,648 -0.057,649 -0.215,650 -0.238,651 -0.258,652 -0.1,653 -0.215,654 0.244,655 -0.014,656 0.096,657 0.003,658 0.029,659 0.007,660 -0.301,661 -0.04,662 -0.242,663 -0.089,664 -0.227,665 -0.135,666 1.621,667 4.765,668 0.45,669 16.08,670 0.989,671 1.122,672 2.94,673 8.643,674 0.674,675 3.091,676 3.401,677 3.611,678 3.807,679 4.007,680 4.078,681 4.22,682 4.277,683 4.094,684 3.97,685 5.182,686 0.617,687 288.45,688 3.091,689 4.615,690 5.442,691 6.308,692 7.165,693 8.038,694 8.907,695 9.786,696 10.662,697 11.544,698 5,700 1,705 1,715 3,720 3,722 6,737 1,741 40,743 8,744 1,745 21,747 41,748 16,749 6,750 3,751 3,756 2,757 3,763 1,767 3,770 4,771 2,772 7,773 7,777 1,782 1,786 1,790 1,793 20,794 3,795 1,796 4,797 1,802 2,808 0.5,809 1,828 1,829 1,832 1,836 1,837 1,853 1,859 1,862 1,864 3,868 20,876 2,877 1,879 1,880 2,881 1,885 1,886 1,891 1,893 2.5,896 1,901 11.333,902 8.033,903 4.5,904 2.374,907 1.475,908 1.231,909 0.93,910 4.878,911 7.871,912 3.332,913 3.795,914 4.252,915 4.667,916 5.162,917 5.36,918 5.67,919 5.902,920 5.77,921 5.765,922 0.833,923 28,924 7.386,926 3.008,927 0.026,929 7.708,931 14.295,933 11.524,936 2.208,937 44.167,938 0.001,941 223.651,942 142.679,943 21.135,945 25.145,947 32.22,948 110.459,949 248.796,950 21.135,951 25.618,952 8.193,953 46.439,954 25.145,955 7.922,956 55.193,957 244.099,959 223.651,960 131.594,961 25.145,962 32.22,964 164.795,965 84,968 35.029,969 79.534,970 17.031,971 32.22,972 223.651,973 46.28,974 142.679,977 223.651,978 48.28,979 57.171,980 35.041,981 48.466,982 223.651,983 46.28,984 142.679,986 0.582,987 0.331,988 0.152,989 0.088,990 13,991 7,992 0.098,993 4,994 1,995 1.222,996 3.149,997 142.352,998 0.222,999 9,1000 84.439,1001 1,1005 15.123,1006 6.452,1007 3.649,1009 46.28,1010 6.274,1015 3.626,1017 18.011,1018 412.61,1019 27,1024 11.765,1028 0.046,1031 39.56,1032 44.863,1034 0.284,1035 0.661,1036 0.854,1037 0.877,1038 0.877,1039 0.877,1040 4.59,1041 0.73,1042 5.442,1043 2.419,1044 4.078,1045 4.477,1046 3.685,1047 6.232,1048 3.981,1049 5.782,1050 0.34,1051 7,1052 1.688,1053 3.761,1054 4.27,1055 2.911,1056 7.116,1057 3.608,1058 7.073,1059 -0.127,1060 8.654,1061 0.495,1062 5.659,1063 6.514,1064 6.421,1065 10.166,1066 5.476,1067 8.393,1068 -0.485,1069 10.36,1070 -0.298,1071 6.111,1072 7.091,1073 6.252,1074 11.86,1075 5.888,1076 9.742,1077 -0.858,1078 12.1,1079 -1.27,1080 7.521,1081 8.859,1082 9.285,1083 14.447,1084 7.276,1085 11.11,1086 -1,1087 13.864,1088 -2,1089 8.319,1090 9.806,1091 9.449,1092 16.502,1093 8.053,1094 12.495,1095 -1,1096 15.646,1097 -2.382,1098 9.542,1099 11.381,1100 12.162,1101 18.927,1102 9.262,1103 3.104,1104 -1.36,1105 17.442,1106 -2.699,1107 10.505,1108 12.521,1109 12.563,1110 21.145,1111 10.216,1112 2.701,1113 10.397,1114 19.251,1115 -3.074,1116 11.656,1117 14.005,1118 15.045,1119 23.512,1120 11.358,1121 2.38,1122 7.852,1123 21.07,1124 3.981,1125 12.699,1126 15.251,1127 15.629,1128 25.8,1129 12.397,1130 2.164,1131 6.691,1132 22.897,1133 3.147,1134 13.824,1135 16.689,1136 17.933,1137 28.147,1138 13.517,1139 1.798,1140 6.174,1141 24.732,1142 2.774,1143 14.906,1144 17.994,1145 18.663,1146 30.465,1147 14.596,1148 1.253,1149 5.107,1150 26.573,1151 2.613,1152 16.024,1153 19.406,1154 20.827,1155 32.807,1156 15.709,1157 1.052,1158 3.379,1159 28.42,1160 2.203,1161 17.126,1162 20.744,1163 21.675,1164 35.138,1165 16.808,1166 3524,1167 5754,1168 13.235,1169 26.966,1170 32.808,1171 34.618,1172 32.861,1173 31.147,1174 31.046,1175 37.853,1176 13.536,1177 88.409,1178 29.538,1179 5.29,1180 6.771,1181 6.106,1182 5.206,1183 5.104,1184 6.981,1185 8.339,1186 17.125,1187 5.059,1188 12.383,1189 1.562,1190 1.648,1191 1.565,1192 1.483,1193 1.478,1194 1.803,1195 0.645,1196 4.21,1197 1.407,1198 4.03,1199 4.06,1200 4.08,1201 3.984,1202 7.427,1203 3.969,1204 3.661,1205 3.715,1206 3.771,1207 3.547,1208 5.43,1209 3.533,1210 3.612,1211 3.678,1212 3.524,1213 3.45,1214 4.722,1215 3.427,1216 3.394,1217 3.451,1218 3.301,1219 3.26,1220 4.218,1221 3.255,1222 3.021,1223 3.076,1224 3.033,1225 2.915,1226 4.19,1227 2.883,1228 2.965,1229 3.047,1230 2.822,1231 2.816,1232 3.885,1233 2.784,1234 2.906,1235 3.009,1236 2.728,1237 2.736,1238 3.671,1239 2.697,1240 2.874,1241 2.936,1242 2.499,1243 2.618,1244 3.467,1245 2.57,1246 0.209,1247 0.227,1248 0.312,1249 0.195,1250 0.148,1251 4.385,1252 0.19,1253 4.771,1254 0.207,1255 6.554,1256 0.495,1257 4.089,1258 0.146,1259 3.104,1260 3.981,1261 4.341,1262 10.397,1263 3.059,1264 1.9,1265 1.883,1266 1.977,1267 1.962,1268 1.202,1269 1.977,1270 1.684,1271 1.628,1272 1.893,1273 1.856,1274 1.183,1275 1.874,1276 1.524,1277 1.459,1278 1.779,1279 1.796,1280 0.925,1281 1.798,1282 1.485,1283 1.423,1284 1.744,1285 1.642,1286 0.841,1287 1.681,1288 1.083,1289 1.049,1290 1.417,1291 1.239,1292 0.516,1293 1.308,1294 1.003,1295 0.924,1296 1.32,1297 1.233,1298 0.469,1299 1.273,1300 0.934,1301 0.805,1302 1.266,1303 1.192,1304 0.184,1305 1.231,1306 0.848,1307 0.804,1308 1.07,1309 1.068,1310 0.116,1311 1.071,1312 3.761,1314 5.069,1315 2.398,1316 6.555,1317 4.727,1318 8.124,1319 6.823,1320 9.742,1322 5.523,1328 2.133,1329 3.447,1331 1.263,1332 0.358,1333 1.591,1337 5.432,1339 2.707,1340 24.686,1341 60.439,1342 140.764,1343 181.858,1344 186.612,1345 186.612,1346 186.612,1347 35.676,1348 6.395,1349 32.34,1350 57.64,1351 11,1352 12.08,1353 3.17,1354 2.807,1355 36.368,1356 61,1357 61,1358 0.302,1359 160.612,1360 283.2,1361 383.654,1362 4093,1364 14.698,1365 0.735,1366 0.648,1367 15.052,1368 12.959,1369 9.507,1370 0.453,1371 0.36,1372 6.752,1373 8.797,1374 6.372,1375 5.365,1376 9.915,1377 7.567,1378 8.647,1379 0.298,1380 0.217,1381 9.375,1382 6.294,1383 6.916,1384 0.192,1385 0.125,1386 7.689,1387 4.496,1388 4.925,1389 0.112,1390 0.07,1391 5.586,1392 3.065,1393 4.023,1394 0.075,1395 0.042,1396 4.686,1397 2.246,1398 0.463,1399 62.856,1400 0.275,1401 19.834,1402 0.852,1403 100,1404 258.574,1405 133.306,1406 277.855,1407 373.21,1408 258,1409 115,1410 250.182,1411 141.033,1412 276.182,1413 397.87,1414 256,1415 5.745}
{0 CHEMBL148771,1 1.364,2 8.55,3 5.01,4 25.104,5 80.103,6 6.619,7 0.286,8 3.767,9 3.889,10 3.229,11 3.304,12 4.813,13 3.256,14 4.332,15 4.528,16 3.552,17 3.686,18 5.313,19 3.603,20 4.59,21 4.807,22 3.636,23 3.866,24 5.506,25 3.759,26 4.689,27 4.914,28 3.551,29 3.844,30 5.695,31 3.721,32 4.596,33 4.847,34 3.418,35 3.706,36 5.58,37 3.58,38 4.353,39 4.578,40 3.242,41 3.527,42 5.364,43 3.406,44 4.245,45 4.492,46 3.098,47 3.384,48 5.239,49 3.249,50 4.164,51 4.416,52 2.913,53 3.242,54 5.18,55 3.113,56 0.027,57 0.541,58 9.305,59 4.07,60 7.875,61 5.514,62 0.32,63 0.884,64 17.316,65 6.654,66 25.365,67 9.377,68 0.15,69 1.089,70 22.332,71 8.923,72 23.46,73 12.332,74 0.279,75 1.123,76 25.366,77 9.397,78 49.174,79 12.788,80 0.268,81 1.013,82 23.251,83 8.286,84 44.755,85 11.531,86 0.192,87 0.816,88 18.024,89 6.626,90 32.388,91 9.117,92 0.132,93 0.74,94 16.052,95 5.884,96 28.54,97 8.357,98 0.218,99 0.672,100 15.22,101 4.822,102 37.34,103 6.928,104 27,105 28,106 0.244,107 0.597,108 0.836,109 0.874,110 0.874,111 0.874,112 3.058,113 1.021,114 -4.82,115 -4.73,116 -4.44,121 41.5,122 1,123 4,124 1,126 1,127 1,142 1,143 1,144 3,145 2,146 1,161 1,176 12,179 3,180 3,187 16,192 2,200 16,206 8,214 11,219 7,227 7,232 6,239 5,244 7,251 3,256 4,264 2,269 2,277 3,281 456,282 13.516,283 13.516,284 13.516,285 13.516,286 13.516,287 12.479,288 16.173,289 8.08,290 13.772,291 10.242,292 10.242,293 10.242,294 10.242,295 10.242,296 8.525,297 13.559,298 3.644,299 10.588,300 3.993,301 2.024,302 0.689,303 0.476,304 0.476,305 0.476,306 3.716,311 1,312 1,313 347,314 3.464,318 101.121,322 86.563,325 1.295,326 16.896,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 42.5,338 171,339 4.365,340 3.774,341 6.528,342 4.063,343 3.069,344 3.969,345 2.208,346 10.3,347 3.053,348 3.938,349 3.309,350 5.91,351 3.664,352 2.735,353 3.156,354 0.655,355 8.132,356 2.518,357 3.586,358 2.645,359 5.284,360 3.246,361 2.281,362 2.771,363 0.13,364 6.613,365 2.205,366 3.452,367 2.455,368 5.146,369 3.022,370 2.041,371 2.423,373 6.118,374 1.992,375 3.144,376 2.134,377 4.15,378 2.437,379 1.447,380 1.894,382 3.61,383 1.43,384 2.606,385 1.942,386 3.84,387 2.241,388 1.256,389 1.543,391 2.895,392 1.233,393 2.519,394 1.476,395 3.461,396 2.199,397 1.21,398 1.443,400 2.488,401 1.18,402 2.213,403 0.969,404 3.092,405 1.799,406 0.8,407 1.069,409 1.558,410 0.798,411 1.424,412 0.725,413 2.754,414 1.154,415 0.201,416 0.21,418 0.305,419 0.19,420 1.196,421 0.388,422 2.394,423 0.992,429 1.055,430 0.031,431 2.244,432 0.641,433 -0.348,434 -0.433,436 -0.713,437 -0.341,438 0.686,439 -0.358,440 2.151,441 0.34,442 -0.659,443 -0.823,445 -1.585,446 -0.656,447 0.591,448 -0.469,449 1.823,450 0.197,451 -0.801,452 -1.072,454 -1.874,455 -0.792,456 0.26,457 -0.679,458 1.57,459 -0.084,460 -1.084,461 -1.362,463 -2.816,464 -1.08,465 -0.159,466 -0.94,467 1.423,468 -0.352,469 -1.298,470 -1.479,472 -2.917,473 -1.223,474 9.567,475 0.478,476 0.435,477 0.022,478 22,479 1.1,480 10,481 0.5,482 12,483 0.6,484 17.227,485 0.861,486 22.233,487 0.542,488 14.789,489 0.739,490 4.126,491 0.206,492 5.526,493 0.276,494 0.192,496 0.303,501 0.728,502 1.364,503 0.894,504 1.212,505 0.598,506 1.092,507 0.555,508 0.921,509 0.893,510 0.94,511 0.422,512 0.946,513 0.9,514 1.054,515 0.95,516 1.079,517 0.679,518 1.027,519 1.505,520 1.046,521 1.137,522 1.052,523 1.387,524 1.058,525 1.412,526 0.895,527 1.01,528 0.885,529 1.403,530 0.899,531 1.427,532 1.072,533 1.134,534 1.058,535 1.148,536 1.064,537 1.034,538 1.178,539 1.013,540 1.113,541 1.171,542 1.069,543 1.727,544 0.909,545 1.24,546 0.87,547 2.026,548 0.965,549 4,550 0.029,551 2.444,552 1.125,553 1.107,554 0.493,555 0.445,556 0.321,557 0.169,558 0.081,559 3343,560 7905,561 1.966,562 51.2,563 9,564 8,565 1,569 3,572 1.62,573 1.818,574 3.107,575 -0.836,582 55.934,583 1.364,584 3.333,585 4.668,586 4.882,587 4.882,588 4.882,589 2.504,590 3.646,591 4.291,592 3.203,593 608.622,594 7.343,595 6226.8,597 1,600 219.66,601 1.485,602 4.237,603 0.19,604 0.007,605 0.087,606 0.038,607 0.043,608 0.021,609 0.023,610 0.02,611 0.013,612 0.009,613 0.452,614 0.67,615 1,616 1.777,617 88.378,618 0.021,619 -0.179,620 0.051,621 -0.088,622 0.006,623 -0.028,624 0.372,625 0.19,626 0.082,627 0.08,628 0.18,629 0.052,630 -0.01,631 -0.032,632 0.012,633 -0.057,634 0.019,635 -0.022,636 -0.156,637 -0.088,638 -0.127,639 -0.068,640 -0.112,641 -0.093,642 -0.126,643 0.052,644 0.001,645 0.07,646 -0.122,647 0.053,648 -0.149,649 -0.092,650 -0.129,651 -0.077,652 -0.142,653 -0.099,654 -0.027,655 -0.2,656 -0.033,657 -0.145,658 -0.055,659 -0.099,660 -0.277,661 0.1,662 -0.202,663 0.034,664 -0.2,665 -0.055,666 1.989,667 4.79,668 0.5,669 14.88,670 0.99,671 1.124,672 3.589,673 12.881,674 0.647,675 3.091,676 3.367,677 3.611,678 3.807,679 4.025,680 4.043,681 4.143,682 4.205,683 4.19,684 3.892,685 5.101,686 0.603,687 271.39,688 3.091,689 4.595,690 5.425,691 6.282,692 7.136,693 8.003,694 8.866,695 9.736,696 10.604,697 11.477,698 2.4,705 1,715 3,720 3,722 6,737 1,741 41,743 8,744 1,745 21,747 42,748 17,749 6,750 3,751 3,756 2,757 3,763 1,767 3,768 1,770 4,771 2,772 7,773 8,774 1,777 1,782 1,786 1,793 21,794 3,796 3,802 1,808 0.5,809 2,829 2,833 1,836 1,837 1,859 1,864 2,868 20,876 5,878 1,880 1,881 1,885 1,886 1,891 1,893 4.9,896 1,898 1,901 11,902 7.95,903 4.667,904 2.732,907 1.489,908 1.233,909 0.926,910 4.95,911 7.886,912 3.332,913 3.773,914 4.223,915 4.695,916 5.193,917 5.365,918 5.654,919 5.856,920 5.954,921 5.62,922 0.833,923 30,924 7.4,926 3.004,927 0.026,929 7.725,931 14.334,933 11.498,936 2.225,937 44.5,938 0.001,941 247.193,942 116.623,943 3.124,945 36.145,948 116.623,949 283.338,950 3.124,951 17.222,952 15.368,953 28.429,954 25.145,955 22.614,956 58.885,957 235.422,959 247.193,960 119.747,961 36.145,964 211.88,965 71.458,968 24.193,969 78.523,970 17.031,972 247.193,973 39.269,974 116.623,977 247.193,978 30.621,979 48.775,980 17.031,981 59.466,982 247.193,983 39.269,984 116.623,986 0.563,987 0.338,988 0.174,989 0.094,990 12,991 6,992 0.095,993 4,994 1,995 1.2,996 3.157,997 142.24,998 0.2,999 10,1000 86.439,1005 14.779,1006 6.698,1007 3.49,1009 39.269,1010 5.92,1015 3.191,1018 403.085,1019 27,1024 11.79,1028 -0.322,1031 40.592,1032 46.069,1034 0.255,1035 0.622,1036 0.871,1037 0.911,1038 0.911,1039 0.911,1040 4.57,1041 0.8,1042 5.398,1043 2.488,1044 4.043,1045 4.454,1046 2.32,1047 6.184,1048 3.983,1049 5.744,1050 0.201,1051 6.948,1052 1.558,1053 3.611,1054 4.182,1055 1.847,1056 7.066,1057 3.507,1058 7.029,1060 8.6,1061 0.305,1062 5.609,1063 6.48,1064 3.527,1065 10.138,1066 5.49,1067 8.344,1068 -0.348,1069 10.31,1071 5.994,1072 7.027,1073 3.656,1074 11.834,1075 5.84,1076 9.688,1077 -0.659,1078 12.056,1079 -0.713,1080 7.46,1081 8.826,1082 4.955,1083 14.425,1084 7.298,1085 11.053,1086 -0.801,1087 13.827,1088 -1.585,1089 8.223,1090 9.761,1091 5.37,1092 16.469,1093 8.041,1094 12.433,1095 -1.084,1096 15.616,1097 -1.874,1098 9.471,1099 11.35,1100 6.458,1101 18.89,1102 9.285,1103 3.069,1104 -1.298,1105 17.419,1106 -2.816,1107 10.413,1108 12.484,1109 7.028,1110 21.09,1111 10.219,1112 2.735,1113 10.3,1114 19.232,1115 -2.917,1116 11.572,1117 13.974,1118 7.994,1119 23.45,1120 11.377,1121 2.281,1122 8.132,1123 21.053,1124 3.969,1125 12.599,1126 15.215,1127 8.654,1128 25.721,1129 12.403,1130 2.041,1131 6.613,1132 22.882,1133 3.156,1134 13.723,1135 16.654,1136 9.549,1137 28.059,1138 13.527,1139 1.447,1140 6.118,1141 24.717,1142 2.771,1143 14.791,1144 17.954,1145 10.263,1146 30.361,1147 14.597,1148 1.256,1149 3.61,1150 26.557,1151 2.423,1152 15.903,1153 19.366,1154 11.116,1155 32.692,1156 15.711,1157 1.21,1158 2.895,1159 28.401,1160 1.894,1161 16.992,1162 20.699,1163 11.862,1164 35.01,1165 16.802,1166 3495,1167 5456,1168 13.523,1169 26.529,1170 31.35,1171 31.864,1172 32.328,1173 30.109,1174 30.08,1175 36.955,1176 5.986,1177 84.036,1178 29.201,1179 5.312,1180 5.774,1181 6.296,1182 5.123,1183 5.069,1184 6.969,1185 3.912,1186 17.079,1187 5.053,1188 11.053,1189 1.493,1190 1.517,1191 1.539,1192 1.434,1193 1.432,1194 1.76,1195 0.285,1196 4.002,1197 1.391,1198 4.026,1199 4.053,1200 3.961,1201 3.965,1202 7.433,1203 3.959,1204 3.698,1205 3.757,1206 3.605,1207 3.507,1208 5.429,1209 3.509,1210 3.572,1211 3.621,1212 3.456,1213 3.428,1214 4.797,1215 3.435,1216 3.413,1217 3.471,1218 3.272,1219 3.302,1220 4.306,1221 3.287,1222 3.206,1223 3.282,1224 3.034,1225 2.965,1226 4.16,1227 2.969,1228 3.042,1229 3.105,1230 2.886,1231 2.921,1232 3.892,1233 2.905,1234 2.957,1235 3.004,1236 2.729,1237 2.703,1238 3.737,1239 2.706,1240 2.729,1241 2.806,1242 2.563,1243 2.568,1244 3.644,1245 2.555,1246 0.208,1247 0.18,1248 0.311,1249 0.193,1250 0.146,1251 4.365,1252 0.189,1253 3.774,1254 0.105,1255 6.528,1256 0.49,1257 4.063,1258 0.145,1259 3.069,1260 3.969,1261 2.208,1262 10.3,1263 3.053,1264 2.008,1265 1.983,1266 2.136,1267 2.092,1268 1.468,1269 2.107,1270 1.628,1271 1.579,1272 1.876,1273 1.88,1274 1.039,1275 1.876,1276 1.573,1277 1.51,1278 1.772,1279 1.715,1280 0.944,1281 1.736,1282 1.433,1283 1.379,1284 1.675,1285 1.585,1286 0.912,1287 1.618,1288 1.183,1289 1.099,1290 1.567,1291 1.464,1292 0.623,1293 1.502,1294 1.062,1295 1.004,1296 1.328,1297 1.246,1298 0.461,1299 1.268,1300 0.869,1301 0.832,1302 1.101,1303 1.176,1304 0.191,1305 1.152,1306 0.75,1307 0.677,1308 1.073,1309 0.962,1310 0.137,1311 1.011,1312 3.761,1314 5.043,1316 6.538,1318 8.132,1320 9.78,1322 3.638,1328 4.753,1330 5.395,1332 0.395,1333 1.54,1337 5.451,1339 2.75,1340 24.719,1341 55.934,1342 136.663,1343 191.395,1344 200.15,1345 200.15,1346 200.15,1347 35.809,1348 6.397,1349 29.54,1350 29.54,1351 12,1352 12.019,1353 3.17,1354 2.807,1355 36.341,1356 62,1357 60,1358 0.304,1359 156.276,1360 279.78,1361 373.073,1362 4175,1364 14.535,1365 0.727,1366 0.609,1367 14.535,1368 12.186,1369 9.651,1370 0.46,1371 0.34,1372 7.071,1373 9.35,1374 6.827,1375 5.725,1376 9.651,1377 7.146,1378 8.181,1379 0.292,1380 0.187,1381 8.181,1382 5.24,1383 6.892,1384 0.191,1385 0.109,1386 6.892,1387 3.911,1388 5.255,1389 0.119,1390 0.059,1391 5.255,1392 2.601,1393 4.184,1394 0.076,1395 0.034,1396 4.184,1397 1.856,1398 0.466,1399 59.962,1400 0.272,1401 19.794,1402 0.863,1403 98,1404 271.116,1405 106.835,1406 262.088,1407 352.81,1408 244,1409 113,1410 255.374,1411 121.145,1412 259.394,1413 375.09,1414 242,1415 4.281}
{0 CHEMBL148832,1 1.689,2 7,3 1.322,4 1.748,5 52.515,6 7.471,7 0.357,8 3.365,9 3.489,10 2.913,11 2.703,12 4.666,13 2.732,14 3.812,15 4.016,16 3.104,17 2.973,18 4.895,19 2.986,20 3.844,21 4.021,22 3.087,23 3.096,24 4.965,25 3.051,26 4.071,27 4.321,28 3.041,29 3.074,30 5.092,31 2.995,32 3.926,33 4.18,34 2.881,35 2.889,36 5.078,37 2.837,38 3.809,39 4.046,40 2.527,41 2.743,42 5.002,43 2.646,44 3.41,45 3.701,46 2.185,47 2.464,48 4.479,49 2.324,50 3.083,51 3.362,52 1.713,53 2.044,54 4.357,55 1.893,56 0.11,57 0.364,58 5.554,59 1.748,60 15.306,61 2.632,62 0.315,63 0.495,64 10.223,65 2.282,66 17.5,67 3.642,68 0.171,69 0.534,70 9.6,71 3.362,72 17.777,73 4.779,74 0.373,75 0.544,76 13.854,77 3.457,78 20.306,79 5.737,80 0.303,81 0.436,82 12.227,83 2.91,84 30.472,85 4.677,86 0.438,87 0.357,88 11.459,89 2.787,90 46.639,91 4.092,92 0.13,93 0.27,94 7.293,95 2.125,96 18.639,97 3.425,98 0.115,99 0.168,100 5.326,101 1.46,102 23.444,103 2.297,104 20,105 17,106 0.339,107 0.725,108 0.846,109 0.861,110 0.877,111 0.877,112 2.73,113 0.883,114 -1.57,115 -1.64,116 -1.68,121 34.6,126 1,127 1,128 1,142 1,143 1,147 1,153 1,157 1,163 1,172 1,176 1,180 1,182 2,191 1,192 1,194 1,205 1,209 1,213 1,216 1,218 1,229 1,232 1,235 1,244 2,256 1,261 1,274 1,281 208,282 9.552,283 9.552,284 9.552,285 9.552,286 9.552,287 8.325,288 13.515,289 6.127,290 9.973,291 6.836,292 6.836,293 6.836,294 6.836,295 6.836,296 5.168,297 18.556,298 2.762,299 7.465,300 3.012,301 1.093,302 0.491,303 0.414,304 0.337,305 0.337,306 3.346,311 1,312 1,313 188,314 2.739,317 41.933,325 1,326 10.213,329 1,330 0.83,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.85,337 31.5,338 98,339 4.398,340 3.631,341 6.47,342 3.94,343 3.024,344 4.086,345 1.697,346 10.003,347 2.769,348 3.501,349 3.103,350 4.954,351 2.834,352 1.95,353 2.356,354 1.467,355 5.425,356 1.722,357 3.165,358 2.691,359 4.114,360 2.491,361 1.564,362 2.129,363 0.451,364 3.612,365 1.45,366 3.041,367 2.097,368 3.599,369 2.443,370 1.5,371 2.048,373 3.018,374 1.405,375 2.37,376 1.496,377 3.126,378 1.823,379 0.868,380 1.23,382 1.616,383 0.826,384 2.272,385 1.308,386 2.815,387 1.632,388 0.725,389 0.961,391 1.216,392 0.652,393 1.282,394 0.66,395 2,396 0.945,402 0.817,403 0.185,404 2,405 0.441,406 -0.482,407 -0.625,409 -0.782,410 -0.439,411 0.414,412 -0.295,413 1.688,414 0.056,415 -0.868,416 -1.066,418 -1.614,419 -0.802,420 0.14,421 -0.707,422 1.4,423 -0.253,424 -1.178,425 -1.533,427 -2.558,428 -1.084,429 -0.253,430 -1.042,431 0.837,432 -0.637,433 -1.564,434 -2.085,436 -3.39,437 -1.443,438 -0.313,439 -1.46,440 0.664,441 -0.793,442 -1.702,443 -2.256,444 -0.451,445 -4.626,446 -1.554,447 -0.517,448 -1.721,449 0.241,450 -0.954,451 -1.888,452 -2.538,453 -1.467,454 -5.423,455 -1.705,456 -0.818,457 -1.845,458 0.091,459 -1.066,460 -1.95,461 -2.708,462 -1.697,463 -6.497,464 -1.796,474 6.367,475 0.455,476 0.209,477 0.015,478 16,479 1.143,480 6.5,481 0.464,482 9.5,483 0.679,484 8.119,485 0.58,486 16.133,487 0.621,488 10.606,489 0.758,490 3.86,491 0.276,492 2.931,493 0.209,494 0.209,496 0.204,501 0.9,502 1.809,503 0.811,504 1.375,505 0.854,506 1.119,507 1.329,508 0.828,509 1.017,510 0.626,511 0.664,512 0.708,513 0.805,514 1.295,515 1.077,516 1.434,517 0.7,518 1.335,519 0.776,520 1.074,521 0.985,522 1.08,523 0.58,524 1.076,525 1.112,526 0.86,527 0.986,528 0.936,529 1.053,530 0.915,531 1.576,532 0.641,533 1.269,534 0.691,535 1.898,536 0.91,537 0.56,538 0.889,539 0.78,540 0.927,541 0.762,542 0.908,543 0.926,544 0.927,545 0.996,546 1.044,547 1.602,548 1.054,549 2,551 1.556,552 1.042,553 0.49,554 0.271,555 0.137,556 0.103,557 0.025,559 1167,560 4219,561 1.88,562 46.2,564 5,565 4,566 2,567 1,572 1.508,573 1.75,574 2.815,575 -0.096,579 1,582 43.908,583 1.689,584 3.608,585 4.21,586 4.287,587 4.364,588 4.364,589 2.271,590 3.664,591 3.768,592 2.91,593 264.832,594 6.287,595 2106.07,597 1,600 122.211,601 1.414,602 3.726,603 0.143,605 0.092,606 0.065,607 0.035,608 0.023,609 0.017,610 0.017,611 0.008,613 0.4,614 0.67,615 1,616 2.094,617 53.78,618 0.027,619 -0.545,620 0.048,621 -0.274,622 0.004,623 -0.143,624 -0.214,625 0.283,626 -0.052,627 0.281,628 -0.098,629 0.176,630 -0.033,631 -0.125,632 -0.218,633 -0.353,634 -0.038,635 -0.337,636 0.121,637 -0.127,638 -0.022,639 -0.156,640 0.048,641 -0.129,642 -0.075,643 0.041,644 0.011,645 -0.037,646 -0.014,647 0.018,648 -0.195,649 0.148,650 -0.224,651 0.229,652 -0.276,653 0.018,654 0.055,655 -0.039,656 0.168,657 0.063,658 0.062,659 0.133,660 -0.058,661 -0.151,662 -0.008,663 -0.089,664 -0.064,665 -0.048,666 1.238,667 2.428,668 0.357,669 9.551,670 1.017,671 1.145,672 0.339,673 0.115,674 0.629,675 2.708,676 2.89,677 3.091,678 3.258,679 3.178,680 2.996,681 2.833,682 2.565,683 2.079,684 1.386,685 4.2,686 0.61,687 194.24,688 2.708,689 4.143,690 4.934,691 5.759,692 6.586,693 7.427,694 8.268,695 9.116,696 9.962,697 10.813,698 11.5,706 1,707 1,708 1,715 2,720 1,721 2,722 5,726 1,741 26,743 7,745 14,747 26,748 9,749 3,752 1,756 1,757 1,771 2,772 4,773 3,777 1,784 1,785 1,790 1,793 12,794 3,795 1,796 5,799 1,802 3,803 1,808 1,809 2,828 1,836 1,837 1,857 1,858 1,859 1,864 1,868 14,875 1,876 2,878 1,885 1,886 1,891 1,893 7.7,897 1,898 1,901 8,902 4.85,903 3.472,904 1.264,907 1.429,908 1.277,909 0.862,910 4.172,911 6.594,912 3.02,913 3.442,914 3.919,915 4.417,916 4.469,917 4.482,918 4.533,919 4.488,920 4.328,921 3.596,922 0.8,923 16,924 5.045,925 0.002,926 1.887,927 0.026,929 8.048,931 9.303,932 0.001,933 6.57,934 0.001,936 2.548,937 35.667,938 0.003,941 129.482,942 86.974,943 17.046,945 53.806,948 86.974,949 183.288,950 17.046,951 8.396,952 8.756,953 9.047,954 47.817,955 67,956 87.436,957 58.856,959 129.482,960 104.02,961 53.806,964 129.482,965 42.806,966 11,968 35.278,969 40.765,970 27.977,972 129.482,973 70.851,974 86.974,977 129.482,978 11.084,979 39.337,980 17.031,981 90.374,982 129.482,983 70.851,984 86.974,986 0.531,987 0.311,988 0.175,989 0.09,990 6,991 3,992 0.154,993 4,995 1,996 2.62,997 76.665,999 5,1000 53.303,1005 10.767,1006 5.425,1007 2.855,1009 67.053,1010 3.643,1015 0.726,1016 3.579,1017 42.806,1018 287.308,1019 19.5,1026 1.333,1027 2.965,1031 26.436,1032 29.782,1034 0.359,1035 0.768,1036 0.896,1037 0.912,1038 0.928,1039 0.928,1040 4.193,1041 -0.482,1042 4.86,1044 3.555,1045 4.119,1046 2.44,1047 5.602,1048 3.383,1049 5.375,1050 -0.868,1051 6.375,1052 -0.782,1053 2.944,1054 3.726,1056 6.475,1057 2.682,1058 6.651,1059 -1.178,1060 8.011,1061 -1.614,1062 5.043,1063 6.212,1064 3.294,1065 9.577,1066 4.686,1067 7.969,1068 -1.564,1069 9.721,1070 -2.558,1071 5.398,1072 6.843,1074 11.371,1075 4.949,1076 9.324,1077 -1.702,1078 11.48,1079 -3.39,1080 6.897,1081 8.681,1082 4.231,1083 13.949,1084 6.36,1085 10.706,1086 -1.888,1087 13.271,1088 -4.626,1089 7.696,1090 9.772,1092 16.066,1093 7.072,1094 12.11,1095 -1.95,1096 15.085,1097 -5.423,1098 8.954,1099 11.351,1100 5.202,1101 18.471,1102 8.243,1103 3.024,1105 16.913,1106 -6.497,1107 9.94,1108 12.634,1110 20.704,1111 9.143,1112 1.95,1113 10.003,1114 18.753,1116 11.105,1117 14.111,1118 6.194,1119 23.047,1120 10.221,1121 1.564,1122 5.425,1123 20.599,1124 4.086,1125 12.164,1126 15.469,1128 25.323,1129 11.193,1130 1.5,1131 3.612,1132 22.452,1133 2.356,1134 13.293,1135 16.905,1136 7.202,1137 27.641,1138 12.235,1139 0.868,1140 3.018,1141 24.308,1142 2.129,1143 14.381,1144 18.292,1146 29.933,1147 13.236,1148 0.725,1149 1.616,1150 26.166,1151 2.048,1152 15.497,1153 19.712,1154 8.221,1155 32.243,1156 14.263,1158 1.216,1159 28.027,1160 1.23,1161 16.596,1162 21.111,1164 34.541,1165 15.275,1166 1327,1167 2568,1168 8.841,1169 16.352,1170 20.782,1171 21.871,1172 21.015,1173 19.314,1174 19.262,1175 25.622,1176 7.231,1177 49.779,1178 17.648,1179 5.216,1180 5.476,1181 6.38,1182 5.006,1183 4.974,1184 6.794,1185 3.394,1186 16.5,1187 4.565,1188 7.488,1189 1.484,1190 1.562,1191 1.501,1192 1.38,1193 1.376,1194 1.83,1195 0.516,1196 3.556,1197 1.261,1198 4.026,1199 4.09,1200 3.979,1201 3.805,1202 6.546,1203 3.841,1204 3.534,1205 3.568,1206 3.435,1207 3.389,1208 5.439,1209 3.392,1210 3.251,1211 3.317,1212 3.168,1213 2.953,1214 4.856,1215 2.989,1216 3.196,1217 3.283,1218 3.03,1219 2.946,1220 4.42,1221 2.953,1222 2.898,1223 2.981,1224 2.671,1225 2.672,1226 4.04,1227 2.657,1228 2.527,1229 2.63,1230 2.3,1231 2.277,1232 3.768,1233 2.257,1234 2.396,1235 2.459,1236 2.151,1237 1.926,1238 3.213,1239 1.99,1240 2.019,1241 2.166,1242 1.715,1243 1.668,1244 2.752,1245 1.66,1246 0.314,1247 0.259,1248 0.462,1249 0.281,1250 0.216,1251 4.398,1252 0.292,1253 3.631,1254 0.121,1255 6.47,1256 0.714,1257 3.94,1258 0.198,1259 3.024,1260 4.086,1261 1.697,1262 10.003,1263 2.769,1264 1.654,1265 1.594,1266 1.801,1267 1.921,1268 0.938,1269 1.885,1270 1.562,1271 1.502,1272 1.758,1273 1.802,1274 0.838,1275 1.793,1276 1.439,1277 1.394,1278 1.614,1279 1.608,1280 0.63,1281 1.611,1282 1.056,1283 0.977,1284 1.343,1285 1.409,1286 0.354,1287 1.378,1288 0.899,1289 0.816,1290 1.246,1291 1.158,1292 0.3,1293 1.197,1294 0.583,1295 0.49,1296 0.975,1297 0.937,1299 0.933,1300 0.396,1301 0.29,1302 0.762,1303 0.777,1305 0.812,1306 0.021,1308 0.568,1309 0.53,1311 0.551,1312 3.367,1314 4.575,1315 2.398,1316 5.979,1317 4.727,1318 7.487,1319 6.783,1320 9.057,1322 1.842,1327 8.428,1328 0.601,1330 5.139,1337 5.039,1339 2.371,1340 15.864,1341 43.908,1342 93.805,1343 109.457,1344 111.457,1345 113.457,1346 113.457,1347 16.722,1348 5.165,1349 50.63,1350 50.63,1351 5,1352 11.372,1353 3,1354 2.7,1355 27.914,1356 33,1357 40,1358 0.429,1359 104.91,1360 179.7,1361 247.741,1362 775,1364 10.389,1365 0.742,1366 0.57,1367 10.389,1368 7.974,1369 6.791,1370 0.485,1371 0.294,1372 3.992,1373 6.282,1374 3.876,1375 3.288,1376 6.791,1377 4.121,1378 5.263,1379 0.31,1380 0.163,1381 5.263,1382 2.779,1383 4.13,1384 0.197,1385 0.087,1386 4.13,1387 1.831,1388 3.238,1389 0.13,1390 0.047,1391 3.238,1392 1.165,1393 2.183,1394 0.095,1395 0.026,1396 2.183,1397 0.603,1398 0.648,1399 44.292,1400 0.336,1401 14.426,1402 1.227,1403 62,1404 233.508,1405 72.035,1406 221.276,1407 284.94,1408 204,1409 69,1410 196.86,1411 80.008,1412 199.143,1413 275.27,1414 181,1415 4.662}
{0 CHEMBL148879,1 1.373,2 11.417,3 5.086,4 25.871,5 96.675,6 6.317,7 0.24,8 3.995,9 4.131,10 3.408,11 3.497,12 4.989,13 3.442,14 4.574,15 4.783,16 3.71,17 3.873,18 5.503,19 3.777,20 4.872,21 5.123,22 3.748,23 4.036,24 5.705,25 3.904,26 4.962,27 5.232,28 3.712,29 4.007,30 5.839,31 3.867,32 4.874,33 5.133,34 3.664,35 3.924,36 5.842,37 3.805,38 4.725,39 4.96,40 3.567,41 3.853,42 5.731,43 3.726,44 4.66,45 4.916,46 3.407,47 3.791,48 5.551,49 3.645,50 4.517,51 4.758,52 3.35,53 3.728,54 5.447,55 3.569,56 0.05,57 0.71,58 12.422,59 5.016,60 9.863,61 7.139,62 0.363,63 1.137,64 22.644,65 8.059,66 29.548,67 11.946,68 0.242,69 1.41,70 30.163,71 10.623,72 33.167,73 15.742,74 0.352,75 1.41,76 33.324,77 11.154,78 47.454,79 16.347,80 0.395,81 1.28,82 30.9,83 9.946,84 54.395,85 14.436,86 0.339,87 1.145,88 26.446,89 9.216,90 49.441,91 13.121,92 0.299,93 1.069,94 24.537,95 8.664,96 41.857,97 12.438,98 0.222,99 0.992,100 20.929,101 8.193,102 33.042,103 11.703,104 22,105 32,106 0.233,107 0.552,108 0.761,109 0.835,110 0.853,111 0.853,112 3.227,113 1.056,114 -4.32,115 -4.25,116 -4.01,121 38.5,122 1,123 6,126 1,127 1,129 2,142 1,143 1,144 4,145 1,146 1,161 1,176 10,179 3,180 4,185 3,187 11,192 4,197 2,200 6,206 11,211 2,214 5,219 8,224 1,227 4,232 7,235 1,237 1,239 8,251 11,256 3,259 2,264 12,269 1,277 7,281 882,282 16.129,283 16.129,284 16.129,285 16.129,286 16.129,287 15.068,288 20.226,289 10.022,290 16.418,291 12.316,292 12.316,293 12.316,294 12.316,295 12.316,296 10.625,297 25.542,298 4.753,299 12.763,300 4.328,301 2.456,302 1.221,303 0.789,304 0.683,305 0.683,306 3.891,311 1,312 1,313 559,314 3.937,318 181.223,325 1.833,326 19.289,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 51,338 274,339 4.147,340 3.801,341 6.339,342 3.892,343 2.953,344 3.692,345 2.208,346 9.432,347 2.766,348 3.974,349 2.947,350 5.661,351 3.695,352 2.715,353 3.16,354 0.867,355 7.92,356 2.66,357 3.549,358 2.747,359 5.271,360 3.328,361 2.376,362 2.663,363 0.655,364 6.701,365 2.254,366 3.454,367 2.614,368 4.957,369 3.086,370 2.108,371 2.326,372 0.13,373 5.64,374 2.047,375 3.246,376 2.374,377 4.67,378 2.805,379 1.838,380 2.208,382 4.983,383 1.769,384 3.04,385 1.971,386 3.772,387 2.417,388 1.429,389 1.885,391 3.142,392 1.404,393 2.662,394 1.73,395 3.501,396 2.339,397 1.353,398 1.713,400 2.657,401 1.331,402 2.513,403 1.272,404 3.355,405 2.169,406 1.174,407 1.488,409 2.441,410 1.166,411 2,412 1.04,413 3.254,414 2,415 1,416 1,418 2.136,419 1,420 1.8,421 1,422 3.247,423 1.599,424 0.643,425 0.687,427 1.553,428 0.607,429 1.759,430 0.658,431 2.684,432 1.205,433 0.244,434 0.331,436 0.401,437 0.234,438 1.187,439 0.479,440 2.537,441 0.777,442 -0.207,443 -0.262,445 -0.479,446 -0.201,447 1.009,448 -0.019,449 2,450 0.708,451 -0.268,452 -0.328,454 -0.679,455 -0.26,456 0.483,457 -0.37,458 1.915,459 0.225,460 -0.75,461 -0.753,463 -1.609,464 -0.727,465 0.366,466 -0.58,467 1.62,469 -1,470 -1,472 -1.802,473 -0.971,474 11.467,475 0.478,476 0.489,477 0.02,478 24.5,479 1.021,480 10,481 0.417,482 14.5,483 0.604,484 23.184,485 0.966,486 27.533,487 0.529,488 17.127,489 0.714,490 4.515,491 0.188,492 7.081,493 0.295,494 0.16,496 0.253,501 0.804,502 1.454,503 0.967,504 1.273,505 0.631,506 1.154,507 0.664,508 1.149,509 1.001,510 1.091,511 0.44,512 1.075,513 0.99,514 1.128,515 1.024,516 1.105,517 0.671,518 1.065,519 1.382,520 0.986,521 0.983,522 0.957,523 1.217,524 0.931,525 1.794,526 0.888,527 1.057,528 0.862,529 1.734,530 0.878,531 1.546,532 1.056,533 1.141,534 1.068,535 1.736,536 1.07,537 1.521,538 0.846,539 1.108,540 0.875,541 1.419,542 0.942,543 0.725,544 1.124,545 1.091,546 1.209,547 0.847,548 1.202,549 4.5,550 0.087,551 2,552 1.688,553 0.973,554 0.639,555 0.405,556 0.234,557 0.188,558 0.137,559 6301,560 13555,561 1.972,562 53.8,563 6,564 11,565 1,567 1,569 9,572 1.667,573 1.846,574 3.492,575 -0.383,582 71.378,583 1.373,584 3.244,585 4.48,586 4.912,587 5.018,588 5.018,589 2.959,590 4.252,591 4.553,592 3.621,593 999.265,594 7.849,595 12220.6,597 1,600 296.423,601 1.384,602 4.513,603 0.18,604 0.007,605 0.063,606 0.053,607 0.032,608 0.022,609 0.016,610 0.01,611 0.009,612 0.008,613 0.399,614 0.33,615 1,616 1.577,617 116.251,618 0.008,619 -0.176,620 0.044,621 -0.083,622 0.006,623 -0.026,624 0.311,625 0.004,626 0.011,627 -0.042,628 0.183,629 -0.048,630 -0.033,631 -0.088,632 -0.035,633 -0.105,634 0.028,635 -0.071,636 -0.071,637 -0.043,638 0.031,639 -0.006,640 -0.025,641 0.021,642 -0.174,643 0.06,644 -0.006,645 0.078,646 -0.154,647 0.059,648 -0.079,649 -0.07,650 -0.106,651 -0.07,652 -0.176,653 -0.092,654 -0.21,655 0.122,656 -0.094,657 0.109,658 -0.182,659 0.031,660 0.089,661 -0.093,662 -0.126,663 -0.161,664 0.032,665 -0.173,666 1.933,667 5.356,668 0.5,669 23.042,670 0.987,671 1.131,672 3.087,673 9.527,674 0.631,675 3.258,676 3.497,677 3.664,678 3.829,679 3.951,680 3.871,681 3.912,682 3.951,683 3.871,684 3.871,685 6.558,686 0.583,687 328.5,688 3.258,689 4.745,690 5.541,691 6.372,692 7.186,693 8.024,694 8.845,695 9.687,696 10.512,697 11.356,698 3.8,700 1,705 1,715 4,720 2,722 6,737 1,741 52,743 8,744 1,745 25,747 53,748 20,749 6,750 2,751 4,756 2,757 2,763 1,767 6,770 8,771 2,772 7,773 11,777 1,782 1,786 1,793 28,794 4,795 1,796 4,802 2,808 1,809 2,829 2,836 1,837 1,853 1,859 2,864 2,868 24,876 7,877 1,878 1,880 2,881 1,885 1,886 1,891 1,893 3.8,896 1,898 1,901 13,902 9.617,903 5.556,904 3.372,907 1.334,908 1.206,909 0.914,910 7.461,911 7.808,912 3.466,913 3.839,914 4.178,915 4.576,916 4.965,917 4.966,918 5.141,919 5.4,920 5.308,921 5.405,922 0.875,923 32,924 8.905,926 3.582,927 0.026,929 7.653,931 17.398,933 13.901,936 2.153,937 51.667,940 1,941 317.82,942 127.983,943 21.135,945 36.145,948 127.983,949 353.965,950 21.135,951 17.222,952 20.437,953 55.916,954 25.145,955 19.429,956 58.885,957 306.049,959 317.82,960 149.118,961 36.145,964 211.88,965 142.085,968 47.273,969 84.814,970 17.031,972 317.82,973 57.28,974 127.983,977 317.82,978 32.504,979 58.251,980 35.041,981 59.466,982 317.82,983 57.28,984 127.983,986 0.557,987 0.313,988 0.162,989 0.086,990 12,991 6,992 0.132,993 7,995 1,996 3.654,997 174.223,999 12,1000 106.039,1005 18.673,1006 9.589,1007 6.057,1009 57.28,1010 7.721,1015 1.724,1017 18.011,1018 503.082,1019 31,1024 12.356,1028 -0.266,1031 51.345,1032 58.813,1034 0.241,1035 0.569,1036 0.786,1037 0.862,1038 0.88,1039 0.88,1040 4.687,1041 1.174,1042 5.485,1043 2.657,1044 4.174,1045 4.522,1046 2.458,1047 6.196,1048 4.102,1049 5.821,1050 1,1051 6.984,1052 2.441,1053 3.611,1054 4.06,1055 1.847,1056 6.893,1057 3.471,1058 7.069,1059 0.643,1060 8.584,1061 2.136,1062 5.666,1063 6.409,1064 3.56,1065 9.965,1066 5.505,1067 8.342,1068 0.244,1069 10.244,1070 1.553,1071 5.916,1072 6.739,1073 3.656,1074 11.486,1075 5.668,1076 9.644,1077 -0.207,1078 11.943,1079 0.401,1080 7.426,1081 8.596,1082 4.961,1083 14.057,1084 7.166,1085 10.963,1086 -0.268,1087 13.67,1088 -0.479,1089 8.073,1090 9.318,1091 5.37,1092 15.941,1093 7.723,1094 12.298,1095 -0.75,1096 15.417,1097 -0.679,1098 9.338,1099 10.953,1100 6.459,1101 18.318,1102 8.972,1103 2.953,1104 -1,1105 17.179,1106 -1.609,1107 10.189,1108 11.89,1109 7.028,1110 20.377,1111 9.735,1112 2.715,1113 9.432,1114 18.954,1115 -1.802,1116 11.34,1117 13.406,1118 7.994,1119 22.673,1120 10.86,1121 2.376,1122 7.92,1123 20.738,1124 3.692,1125 12.296,1126 14.47,1127 8.654,1128 24.819,1129 11.734,1130 2.108,1131 6.701,1132 22.532,1133 3.16,1134 13.396,1135 15.914,1136 9.549,1137 27.081,1138 12.797,1139 1.838,1140 5.64,1141 24.332,1142 2.663,1143 14.405,1144 17.058,1145 10.263,1146 29.27,1147 13.731,1148 1.429,1149 4.983,1150 26.138,1151 2.326,1152 15.483,1153 18.455,1154 11.116,1155 31.519,1156 14.764,1157 1.353,1158 3.142,1159 27.95,1160 2.208,1161 16.521,1162 19.652,1163 11.862,1164 33.731,1165 15.729,1166 6403,1167 9503,1168 16.296,1169 32.819,1170 37.008,1171 37.315,1172 37.102,1173 35.685,1174 35.668,1175 42.306,1176 7.72,1177 94.011,1178 34.476,1179 5.147,1180 5.801,1181 6.204,1182 4.97,1183 4.953,1184 6.692,1185 3.912,1186 16.163,1187 4.766,1188 12.462,1189 1.48,1190 1.493,1191 1.484,1192 1.427,1193 1.427,1194 1.692,1195 0.309,1196 3.76,1197 1.379,1198 3.965,1199 4,1200 3.894,1201 3.877,1202 7.433,1203 3.875,1204 3.871,1205 3.924,1206 3.749,1207 3.753,1208 5.432,1209 3.742,1210 3.666,1211 3.729,1212 3.551,1213 3.509,1214 4.813,1215 3.509,1216 3.496,1217 3.552,1218 3.398,1219 3.29,1220 4.339,1221 3.291,1222 3.375,1223 3.434,1224 3.24,1225 3.228,1226 4.287,1227 3.241,1228 3.111,1229 3.206,1230 2.924,1231 2.941,1232 4.14,1233 2.91,1234 3.064,1235 3.1,1236 2.866,1237 2.844,1238 3.91,1239 2.852,1240 2.957,1241 3.059,1242 2.762,1243 2.796,1244 3.696,1245 2.78,1246 0.166,1247 0.152,1248 0.254,1249 0.156,1250 0.118,1251 4.147,1252 0.148,1253 3.801,1254 0.088,1255 6.339,1256 0.377,1257 3.892,1258 0.111,1259 2.953,1260 3.692,1261 2.208,1262 9.432,1263 2.766,1264 1.924,1265 1.898,1266 2.096,1267 2.049,1268 1.483,1269 2.063,1270 1.874,1271 1.818,1272 2.049,1273 2.012,1274 1.269,1275 2.029,1276 1.638,1277 1.578,1278 1.848,1279 1.833,1280 0.974,1281 1.84,1282 1.419,1283 1.366,1284 1.679,1285 1.686,1286 0.878,1287 1.683,1288 1.392,1289 1.328,1290 1.636,1291 1.548,1292 0.825,1293 1.582,1294 1.153,1295 1.064,1296 1.513,1297 1.376,1298 0.687,1299 1.429,1300 1.015,1301 0.954,1302 1.396,1303 1.268,1304 0.597,1305 1.305,1306 0.999,1307 0.907,1308 1.356,1309 1.248,1310 0.497,1311 1.281,1312 3.932,1314 5.187,1316 6.632,1318 8.16,1320 9.732,1322 3.931,1328 7.204,1329 3.25,1330 5.567,1332 0.583,1333 1.753,1337 5.264,1339 2.579,1340 30.321,1341 71.378,1342 168.706,1343 232.939,1344 255.403,1345 260.913,1346 260.913,1347 50.461,1348 6.474,1349 41.57,1350 41.57,1351 12,1352 11.923,1353 3.17,1354 2.807,1355 48.561,1356 93,1357 106,1358 0.252,1359 191.847,1360 342.68,1361 459.867,1362 5090,1364 17.364,1365 0.723,1366 0.615,1367 17.364,1368 14.755,1369 11.597,1370 0.464,1371 0.352,1372 8.709,1373 11.232,1374 8.431,1375 7.095,1376 11.597,1377 8.803,1378 9.852,1379 0.308,1380 0.207,1381 9.852,1382 6.608,1383 7.674,1384 0.202,1385 0.121,1386 7.674,1387 4.608,1388 5.935,1389 0.132,1390 0.071,1391 5.935,1392 3.185,1393 4.468,1394 0.088,1395 0.042,1396 4.468,1397 2.135,1398 0.402,1399 72.049,1400 0.248,1401 23.886,1402 0.672,1403 114,1404 299.449,1405 124.889,1406 289.848,1407 388,1408 270,1409 127,1410 278.134,1411 137.143,1412 282.583,1413 404.55,1414 263,1415 5.444}
{0 CHEMBL148882,1 1.465,2 7.235,3 2.251,4 5.065,5 68.621,6 6.388,7 0.353,8 3.658,9 3.796,10 3.076,11 3.079,12 4.718,13 3.043,14 4.198,15 4.436,16 3.379,17 3.406,18 5.215,19 3.353,20 4.325,21 4.508,22 3.428,23 3.596,24 5.369,25 3.509,26 4.596,27 4.857,28 3.288,29 3.599,30 5.56,31 3.465,32 4.413,33 4.683,34 3.205,35 3.493,36 5.324,37 3.351,38 4.278,39 4.527,40 3.026,41 3.363,42 5.199,43 3.214,44 4.201,45 4.481,46 2.757,47 3.143,48 5.1,49 2.972,50 3.885,51 4.154,52 2.557,53 2.877,54 4.868,55 2.725,56 0.016,57 0.501,58 8.852,59 3.196,60 6.85,61 4.755,62 0.386,63 0.727,64 15.933,65 4.555,66 26.786,67 7.167,68 0.102,69 0.838,70 17.529,71 6.426,72 20.617,73 9.187,74 0.349,75 0.888,76 23.476,77 7.143,78 51.158,79 10.658,80 0.242,81 0.793,82 19.14,83 6.305,84 29.956,85 9.522,86 0.152,87 0.695,88 16.68,89 5.581,90 26.006,91 8.34,92 0.31,93 0.576,94 15.783,95 4.676,96 30.601,97 7.08,98 0.126,99 0.454,100 11.321,101 3.202,102 23.524,103 5.165,104 46,105 23,106 0.273,107 0.528,108 0.671,109 0.772,110 0.772,111 0.772,112 2.907,113 0.983,114 -3.08,115 -3.08,116 -2.97,121 35.1,122 1,126 4,129 1,144 4,145 1,146 1,161 1,176 4,179 3,180 4,187 5,192 4,200 4,206 6,214 1,218 1,219 6,227 1,232 2,243 2,244 2,281 305,282 10.621,283 10.621,284 10.621,285 10.621,286 10.621,287 9.792,288 15.408,289 6.2,290 10.955,291 8.316,292 8.316,293 8.316,294 8.316,295 8.316,296 6.984,297 20.892,298 2.895,299 8.801,300 3.744,301 2.378,302 1.616,303 1.075,304 1.075,305 1.075,306 3.524,311 1,312 1,313 235,314 3.742,318 61.641,325 1.19,326 12.806,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 37,338 123,339 4.202,340 3.763,341 6.301,342 3.914,343 2.947,344 3.743,345 2.208,346 9.306,347 2.852,348 3.89,349 3.254,350 5.812,351 3.623,352 2.696,353 3.083,354 0.916,355 7.843,356 2.478,357 3.558,358 2.666,359 5.295,360 3.26,361 2.313,362 2.745,363 0.655,364 6.489,365 2.183,366 3.007,367 2.093,368 4.729,369 2.712,370 1.772,371 2.106,372 0.172,373 4.798,374 1.659,375 2.652,376 1.966,377 3.586,378 2.213,379 1.235,380 1.714,381 0.13,382 2.716,383 1.204,384 2.304,385 1.313,386 3.429,387 1.967,388 1,389 1.192,391 2.272,392 0.949,393 1.738,394 0.763,395 3.133,396 1.582,397 0.611,398 0.674,400 1.39,401 0.592,402 1.177,403 0.652,404 2.415,405 0.74,406 -0.225,407 -0.293,409 -0.563,410 -0.213,411 0.627,412 -0.351,413 2,414 0.233,415 -0.766,416 -0.979,418 -1.911,419 -0.763,420 0.483,421 -0.6,422 1.724,423 -0.001,424 -1,425 -1,427 -2,428 -0.9,430 -0.6,431 1.502,432 -0.1,433 -1,434 -1,436 -2,437 -0.9,439 -0.661,440 1.348,441 -0.1,442 -1,443 -1.41,445 -2.623,446 -0.985,447 -0.222,448 -1.019,449 1.243,450 -0.434,451 -1.399,452 -1.484,453 -0.4,454 -3.799,455 -1.333,456 -0.363,457 -1.188,458 1.031,459 -0.514,460 -1.472,461 -1.813,462 -0.4,463 -4.191,464 -1.429,465 -0.5,466 -1.311,467 1,468 -0.848,469 -1.782,470 -2.002,471 -0.689,472 -5.387,473 -1.582,474 7.967,475 0.469,476 0.586,477 0.034,478 18.75,479 1.103,480 8,481 0.471,482 10.75,483 0.632,484 13.049,485 0.768,486 20.233,487 0.547,488 13.67,489 0.804,490 4.042,491 0.238,492 3.872,493 0.228,494 0.356,496 0.351,501 0.795,502 1.819,503 0.939,504 1.488,505 0.65,506 1.267,507 0.833,508 0.645,509 0.832,510 0.612,511 0.451,512 0.673,513 1.029,514 1.424,515 1.139,516 1.456,517 0.775,518 1.335,519 1.48,520 0.932,521 1.078,522 0.917,523 1.527,524 0.948,525 0.83,526 0.968,527 0.898,528 0.974,529 0.89,530 0.954,531 0.991,532 1.243,533 1.098,534 1.264,535 0.902,536 1.214,537 1.256,538 0.834,539 1.096,540 0.906,541 1.191,542 0.982,543 1.106,544 1.303,545 1.131,546 1.193,547 1.564,548 1.167,549 4.5,551 2.222,552 1.125,553 0.822,554 0.521,555 0.366,556 0.243,557 0.099,559 1935,560 4817,561 1.807,562 54.1,564 17,569 3,572 1.571,573 1.619,574 2.925,575 -0.75,577 1,578 1,579 1,582 54.205,583 1.465,584 2.831,585 3.594,586 4.134,587 4.134,588 4.134,589 2.278,590 3.735,591 4.06,592 3.03,593 412.033,594 6.869,595 3791.8,596 1,597 1,599 1,600 192.75,601 1.58,602 3.954,603 0.265,605 0.097,606 0.049,607 0.043,608 0.029,609 0.026,610 0.024,611 0.012,613 0.545,614 0.67,615 1,616 1.738,617 70.618,618 0.015,619 -0.476,620 0.052,621 -0.256,622 -0.067,623 -0.122,624 0.262,625 0.512,626 0.2,627 0.356,628 0.232,629 0.295,630 -0.066,631 -0.256,632 -0.156,633 -0.302,634 0.033,635 -0.247,636 -0.187,637 -0.023,638 -0.07,639 0.039,640 -0.155,641 0.003,642 0.041,643 -0.002,644 0.057,645 0.02,646 0.001,647 0.037,648 -0.067,649 -0.249,650 -0.139,651 -0.238,652 -0.066,653 -0.206,654 -0.036,655 0.053,656 -0.098,657 0.005,658 -0.076,659 -0.059,660 -0.103,661 -0.332,662 -0.151,663 -0.258,664 -0.045,665 -0.221,666 2.028,667 4.421,668 0.353,669 11.349,670 0.995,671 1.139,672 1.855,673 3.44,674 0.615,675 2.89,676 3.178,677 3.296,678 3.332,679 3.466,680 3.401,681 3.401,682 3.296,683 2.833,684 2.197,685 4.618,686 0.573,687 236.35,688 2.89,689 4.394,690 5.187,691 6.023,692 6.843,693 7.681,694 8.508,695 9.348,696 10.179,697 11.02,698 5.4,701 1,705 1,715 4,720 2,722 6,737 1,741 37,743 7,744 1,745 17,747 37,748 13,749 6,750 2,751 4,756 1,757 1,763 1,770 1,772 7,773 6,777 1,782 1,786 1,790 1,793 20,794 4,796 4,802 2,808 1,809 2,829 1,855 1,859 1,864 5,868 17,878 1,880 1,881 2,893 5.4,896 1,898 1,901 10.5,902 8.15,903 3.833,904 2.014,907 1.275,908 1.23,909 0.88,910 4.817,911 6.813,912 3.091,913 3.57,914 3.956,915 4.352,916 4.807,917 4.831,918 5,919 5.044,920 4.511,921 3.944,922 0.8,923 23,924 6.253,926 2.4,927 0.026,929 7.784,931 11.88,933 8.755,936 2.284,937 38.833,938 0.002,941 235.422,942 95.507,943 6.249,945 36.145,948 95.507,949 271.567,950 6.249,951 42.411,952 3.124,953 37.905,954 25.145,955 22.553,956 6.763,957 235.422,959 235.422,960 101.756,961 36.145,964 200.109,965 71.458,968 15.074,969 86.682,972 235.422,973 42.393,974 95.507,977 235.422,978 15.192,979 86.564,981 36.145,982 235.422,983 42.393,984 95.507,986 0.587,987 0.326,988 0.132,989 0.071,990 9,991 6,992 0.108,993 4,995 1,996 2.774,997 105.422,999 6,1000 63.487,1005 13.843,1006 5.916,1007 3.931,1009 42.393,1010 7.602,1015 1.703,1018 373.323,1019 21,1024 11.421,1028 -0.361,1031 36.811,1032 42.152,1034 0.281,1035 0.543,1036 0.69,1037 0.794,1038 0.794,1039 0.794,1040 4.311,1041 -0.225,1042 5.198,1043 1.39,1044 3.85,1045 4.248,1046 2.458,1047 5.953,1048 3.745,1049 5.494,1050 -0.766,1051 6.753,1052 -0.563,1053 3.611,1054 4.06,1055 1.905,1056 6.81,1057 3.438,1058 6.772,1059 -1,1060 8.407,1061 -1.911,1062 5.407,1063 6.256,1064 3.555,1065 9.803,1066 5.2,1067 8.081,1068 -1,1069 10.111,1070 -2,1071 5.889,1072 6.754,1073 3.668,1074 11.39,1075 5.616,1076 9.415,1077 -1,1078 11.845,1079 -2,1080 7.242,1081 8.545,1082 4.96,1083 13.928,1084 6.943,1085 10.766,1086 -1.399,1087 13.598,1088 -2.623,1089 8.028,1090 9.36,1091 5.372,1092 15.833,1093 7.672,1094 12.13,1095 -1.472,1096 15.366,1097 -3.799,1098 9.209,1099 10.969,1100 6.459,1101 18.191,1102 8.828,1103 2.947,1104 -1.782,1105 17.143,1106 -4.191,1107 10.136,1108 11.964,1109 7.028,1110 20.252,1111 9.706,1112 2.696,1113 9.306,1114 18.929,1115 -5.387,1116 11.245,1117 13.47,1118 7.994,1119 22.532,1120 10.791,1121 2.313,1122 7.843,1123 20.721,1124 3.743,1125 12.239,1126 14.577,1127 8.654,1128 24.672,1129 11.744,1130 1.772,1131 6.489,1132 22.519,1133 3.083,1134 13.319,1135 16.018,1136 9.549,1137 26.918,1138 12.798,1139 1.235,1140 4.798,1141 24.321,1142 2.745,1143 14.347,1144 17.198,1145 10.263,1146 29.099,1147 13.791,1148 1,1149 2.716,1150 26.127,1151 2.106,1152 15.416,1153 18.596,1154 11.116,1155 31.331,1156 14.834,1157 0.611,1158 2.272,1159 27.936,1160 1.714,1161 16.462,1162 19.825,1163 11.862,1164 33.533,1165 15.848,1166 2166,1167 3517,1168 10.057,1169 22.773,1170 25.405,1171 26.166,1172 26.686,1173 25.199,1174 25.147,1175 30.513,1176 8.163,1177 69.63,1178 23.835,1179 5.035,1180 5.763,1181 5.849,1182 4.96,1183 4.947,1184 6.743,1185 3.912,1186 15.839,1187 4.852,1188 11.818,1189 1.494,1190 1.539,1191 1.57,1192 1.482,1193 1.479,1194 1.795,1195 0.48,1196 4.096,1197 1.402,1198 3.955,1199 3.985,1200 3.893,1201 3.872,1202 7.433,1203 3.872,1204 3.643,1205 3.707,1206 3.55,1207 3.398,1208 4.817,1209 3.413,1210 3.562,1211 3.642,1212 3.423,1213 3.323,1214 4.358,1215 3.345,1216 3.185,1217 3.286,1218 2.959,1219 2.979,1220 4.249,1221 2.956,1222 3.041,1223 3.062,1224 2.88,1225 2.787,1226 4.05,1227 2.805,1228 2.874,1229 3.009,1230 2.612,1231 2.618,1232 3.814,1233 2.601,1234 2.874,1235 3.009,1236 2.526,1237 2.618,1238 3.497,1239 2.57,1240 2.777,1241 2.849,1242 2.499,1243 2.618,1244 3.467,1245 2.57,1246 0.247,1247 0.221,1248 0.371,1249 0.23,1250 0.173,1251 4.202,1252 0.22,1253 3.763,1254 0.13,1255 6.301,1256 0.547,1257 3.914,1258 0.168,1259 2.947,1260 3.743,1261 2.208,1262 9.306,1263 2.852,1264 1.922,1265 1.897,1266 2.044,1267 2.032,1268 1.223,1269 2.037,1270 1.567,1271 1.495,1272 1.813,1273 1.84,1274 0.899,1275 1.828,1276 1.503,1277 1.423,1278 1.777,1279 1.76,1280 0.832,1281 1.773,1282 1.213,1283 1.113,1284 1.598,1285 1.466,1286 0.676,1287 1.517,1288 0.934,1289 0.901,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.934,1295 0.804,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.928,1301 0.804,1302 1.143,1303 1.239,1304 0.211,1305 1.19,1306 0.794,1307 0.725,1308 1.082,1309 0.995,1310 0.157,1311 1.035,1312 3.555,1314 4.844,1316 6.312,1318 7.854,1320 9.434,1322 9.461,1330 5.215,1332 0.285,1333 3.509,1340 21.214,1341 54.205,1342 104.75,1343 132.975,1344 152.975,1345 152.975,1346 152.975,1347 30.954,1348 5.537,1349 32.78,1350 32.78,1351 6,1352 11.587,1353 3,1354 2.322,1355 38.009,1356 47,1357 38,1358 0.42,1359 137.949,1360 239.22,1361 328.355,1362 1257,1364 13,1365 0.765,1366 0.653,1367 13,1368 11.098,1369 7.914,1370 0.466,1371 0.328,1372 5.453,1373 7.495,1374 5.085,1375 4.403,1376 7.914,1377 5.57,1378 7.353,1379 0.32,1380 0.195,1381 7.353,1382 4.474,1383 5.462,1384 0.21,1385 0.103,1386 5.462,1387 2.685,1388 3.366,1389 0.125,1390 0.049,1391 3.366,1392 1.328,1393 2.571,1394 0.083,1395 0.027,1396 2.571,1397 0.835,1398 0.64,1399 50.363,1400 0.315,1401 17.093,1402 1.194,1403 80,1404 250.761,1405 90.25,1406 237.913,1407 313.82,1408 220,1409 89,1410 222.782,1411 99.143,1412 229.638,1413 325.01,1414 208,1415 7.523}
{0 CHEMBL149017,1 1.453,2 7.8,3 3.482,4 12.127,5 60.761,6 6.776,7 0.4,8 3.454,9 3.586,10 2.918,11 2.959,12 4.668,13 2.915,14 3.908,15 4.112,16 3.074,17 3.262,18 4.854,19 3.171,20 4.168,21 4.425,22 3.099,23 3.386,24 5.047,25 3.254,26 4.178,27 4.442,28 3.028,29 3.343,30 5.087,31 3.193,32 4.143,33 4.417,34 2.919,35 3.221,36 5.108,37 3.08,38 3.995,39 4.259,40 2.693,41 3.061,42 5.001,43 2.908,44 3.803,45 4.094,46 2.443,47 2.853,48 4.764,49 2.688,50 3.445,51 3.729,52 2.179,53 2.51,54 4.582,55 2.365,56 0.084,57 0.413,58 6.709,59 2.648,60 15.333,61 3.735,62 0.071,63 0.619,64 10.916,65 3.952,66 11.433,67 5.884,68 0.143,69 0.732,70 14.685,71 5.27,72 20.37,73 7.811,74 0.151,75 0.717,76 14.887,77 5.298,78 22.094,79 7.967,80 0.141,81 0.659,82 14.663,83 4.749,84 27.833,85 7.167,86 0.146,87 0.542,88 12.716,89 4.278,90 30.89,91 6.19,92 0.127,93 0.436,94 10.537,95 3.541,96 23.702,97 5.205,98 0.087,99 0.303,100 7.3,101 2.409,102 21.109,103 3.544,104 16,105 17,106 0.281,107 0.676,108 0.841,109 0.898,110 0.898,111 0.898,112 2.791,113 1.014,114 -3.14,115 -3.14,116 -3.02,121 40,123 3,127 1,142 1,143 1,144 3,147 1,148 1,157 1,172 1,176 6,187 4,189 3,192 1,194 1,200 2,203 2,206 1,211 1,213 1,214 3,216 1,219 2,224 1,227 3,229 1,232 1,237 2,239 3,241 1,244 1,249 1,251 3,256 1,261 1,264 3,269 1,274 1,277 1,281 267,282 10.466,283 10.466,284 10.466,285 10.466,286 10.466,287 9.162,288 9.055,289 6.955,290 10.641,291 7.369,292 7.369,293 7.369,294 7.369,295 7.369,296 5.612,297 5.345,298 3.192,299 7.612,300 3.454,301 1.412,302 0.558,303 0.267,304 0.267,305 0.267,306 3.421,311 1,312 1,313 227,314 2.828,318 53.611,325 1.173,326 7.694,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 32,338 117,339 4.217,340 3.627,341 6.137,342 3.785,343 2.844,344 3.84,345 1.697,346 9.03,347 2.677,348 3.5,349 2.887,350 4.45,351 2.827,352 1.842,353 2.291,355 4.496,356 1.816,357 3.134,358 2.417,359 3.727,360 2.589,361 1.618,362 2.152,364 3.343,365 1.566,366 2.948,367 1.783,368 3.608,369 2.459,370 1.471,371 2.053,373 3.03,374 1.452,375 2.558,376 1.501,377 3.121,378 1.989,379 1,380 1.454,382 1.876,383 0.988,384 2.497,385 1.175,386 3.035,387 1.963,388 1,389 1.295,391 1.704,392 0.961,393 1.681,394 0.759,395 2.349,396 1.257,397 0.272,398 0.345,400 0.461,401 0.267,402 1.097,403 0.287,404 2,405 0.811,406 -0.181,407 -0.216,409 -0.297,410 -0.179,411 0.719,412 -0.289,413 1.827,414 0.361,415 -0.618,416 -0.796,418 -1.098,419 -0.604,420 0.44,421 -0.65,422 1.418,423 -0.009,424 -1,425 -1.345,427 -1.869,428 -0.947,429 0.361,430 -0.854,431 1.161,432 -0.05,433 -1,434 -1.477,436 -2.174,437 -0.99,438 -0.33,439 -1.296,440 0.549,441 -0.572,442 -1.544,443 -2.022,445 -3.202,446 -1.492,447 -0.466,448 -1.583,449 0.326,450 -0.81,451 -1.777,452 -2.169,454 -4.482,455 -1.706,456 -0.5,457 -1.783,458 0.228,459 -0.964,460 -1.926,461 -2.406,463 -4.741,464 -1.867,465 -0.856,466 -2,467 0.064,468 -1.037,469 -2,470 -3,471 -1.697,472 -6.076,473 -1.943,474 7.133,475 0.476,476 0.119,477 0.008,478 17.25,479 1.15,480 8.5,481 0.567,482 8.75,483 0.583,484 9.711,485 0.647,486 16.567,487 0.552,488 10.272,489 0.685,490 3.679,491 0.245,492 3.702,493 0.247,494 0.117,496 0.126,501 0.761,502 1.305,503 0.921,504 1.11,505 0.776,506 1.055,507 0.786,508 1.258,509 1.066,510 1.153,511 0.463,512 1.131,513 0.712,514 0.95,515 0.957,516 0.977,517 0.622,518 0.99,519 0.564,520 1.096,521 0.964,522 1.101,523 0.596,524 1.081,525 1.07,526 0.99,527 1.017,528 1.004,529 0.979,530 0.994,531 1.399,532 0.97,533 1.116,534 1.023,535 1.487,536 1.044,537 1.2,538 0.73,539 0.955,540 0.792,541 1.222,542 0.842,543 1.261,544 0.764,545 0.928,546 0.793,547 1.513,548 0.821,549 1.5,551 1.111,552 0.5,553 0.382,554 0.236,555 0.141,556 0.075,557 0.057,558 0.036,559 1533,560 4457,561 1.925,562 50,563 4,564 5,565 1,566 2,567 1,569 2,572 1.528,573 1.837,574 2.981,575 -0.265,579 1,582 43.584,583 1.453,584 3.495,585 4.348,586 4.64,587 4.64,588 4.64,589 2.473,590 3.64,591 3.869,592 3.078,593 323.226,594 6.479,595 2760.11,597 1,600 147.207,601 1.103,602 3.857,603 0.1,605 0.065,606 0.029,607 0.025,608 0.018,609 0.014,610 0.009,611 0.01,612 0.012,613 0.283,614 0.83,615 1,616 2.205,617 60.208,618 0.19,619 -0.104,620 0.016,621 -0.018,622 0.111,623 -0.032,624 -0.093,625 -0.129,626 -0.139,627 -0.138,628 -0.014,629 -0.141,630 0.009,631 0.055,632 -0.016,633 0.002,634 -0.024,635 -0.009,636 0.13,637 -0.124,638 -0.026,639 -0.128,640 0.028,641 -0.101,642 -0.07,643 -0.043,644 -0.039,645 -0.075,646 -0.055,647 -0.05,648 -0.156,649 -0.074,650 -0.126,651 -0.075,652 -0.19,653 -0.095,654 -0.119,655 0.135,656 0.03,657 0.146,658 -0.096,659 0.112,660 -0.105,661 0.107,662 0.066,663 0.141,664 -0.096,665 0.128,666 0.777,667 2.483,668 0.4,669 10.72,670 0.992,671 1.13,672 1.913,673 3.659,674 0.647,675 2.773,676 2.89,677 3.045,678 3.178,679 3.258,680 3.045,681 2.944,682 2.773,683 2.485,684 2.197,685 4.66,686 0.606,687 203.29,688 2.773,689 4.174,690 4.934,691 5.72,692 6.512,693 7.314,694 8.118,695 8.928,696 9.738,697 10.551,698 6.7,707 1,708 1,715 4,720 1,721 1,722 6,726 1,741 30,743 8,745 15,747 30,748 12,749 5,752 1,756 1,757 1,770 3,771 2,772 6,773 4,777 1,784 1,785 1,790 1,793 15,794 2,795 1,796 3,802 2,803 1,808 1,809 1,822 1,829 1,836 1,837 1,857 1,859 1,868 15,875 1,876 4,885 1,886 1,891 1,893 3.3,898 1,901 8.167,902 5.15,903 3.778,904 1.836,907 1.669,908 1.315,909 0.883,910 5.317,911 6.962,912 3.091,913 3.45,914 3.887,915 4.342,916 4.745,917 4.605,918 4.721,919 4.702,920 4.57,921 4.538,922 1,923 17,924 5.45,925 -0.001,926 2.053,927 0.026,929 7.844,931 10.401,933 7.697,934 -0.001,936 2.344,937 35.167,938 0.003,941 164.795,942 99.341,943 15.147,945 42.806,948 99.341,949 207.601,950 15.147,952 9.709,953 28.429,954 34.489,955 67.857,956 52.123,957 129.482,959 164.795,960 114.488,961 42.806,964 141.253,965 66.348,968 34.761,969 51.75,970 27.977,972 164.795,973 57.952,974 99.341,977 164.795,978 12.466,979 48.423,980 17.031,981 79.374,982 164.795,983 57.952,984 99.341,986 0.514,987 0.292,988 0.164,989 0.088,990 5,991 2,992 0.167,993 5,995 1,996 2.805,997 82.04,999 6,1000 58.603,1005 11.581,1006 6.886,1007 4.031,1009 56.053,1010 7.735,1015 0.89,1016 2.038,1017 42.806,1018 322.089,1019 21,1026 1.432,1027 3.033,1031 29.774,1032 33.905,1034 0.296,1035 0.712,1036 0.886,1037 0.946,1038 0.946,1039 0.946,1040 4.227,1041 -0.181,1042 4.796,1043 0.461,1044 3.555,1045 4.127,1046 1.911,1047 5.434,1048 3.486,1049 5.362,1050 -0.618,1051 6.232,1052 -0.297,1053 2.565,1054 3.332,1056 6.071,1057 2.377,1058 6.595,1059 -1,1060 7.79,1061 -1.098,1062 4.934,1063 6.119,1064 2.867,1065 9.18,1066 4.764,1067 7.866,1068 -1,1069 9.431,1070 -1.869,1071 4.949,1072 6.354,1074 10.813,1075 4.623,1076 9.171,1077 -1.544,1078 11.128,1079 -2.174,1080 6.635,1081 8.445,1082 3.887,1083 13.343,1084 6.335,1085 10.503,1086 -1.777,1087 12.864,1088 -3.202,1089 7.183,1090 9.209,1092 15.328,1093 6.74,1094 11.856,1095 -1.926,1096 14.626,1097 -4.482,1098 8.529,1099 10.956,1100 4.932,1101 17.659,1102 8.09,1103 2.844,1104 -2,1105 16.405,1106 -4.741,1107 9.342,1108 11.989,1110 19.773,1111 8.784,1112 1.842,1113 9.03,1114 18.196,1115 -6.076,1116 10.527,1117 13.559,1118 5.985,1119 22.028,1120 9.95,1121 1.618,1122 4.496,1123 19.994,1124 3.84,1125 11.465,1126 14.729,1128 24.192,1129 10.791,1130 1.471,1131 3.343,1132 21.797,1133 2.291,1134 12.576,1135 16.204,1136 7.041,1137 26.416,1138 11.866,1139 1,1140 3.03,1141 23.604,1142 2.152,1143 13.571,1144 17.449,1146 28.601,1147 12.78,1148 1,1149 1.876,1150 25.413,1151 2.053,1152 14.647,1153 18.871,1154 8.098,1155 30.811,1156 13.809,1157 0.272,1158 1.704,1159 27.223,1160 1.454,1161 15.669,1162 20.157,1164 33.005,1165 14.759,1166 1692,1167 2938,1168 9.822,1169 19.415,1170 21.469,1171 22.716,1172 21.119,1173 20.113,1174 20.092,1175 26.861,1176 3.394,1177 47.88,1178 19.453,1179 5.073,1180 5.627,1181 6.073,1182 4.822,1183 4.844,1184 6.84,1185 3.394,1186 15.106,1187 4.619,1188 6.701,1189 1.431,1190 1.514,1191 1.408,1192 1.341,1193 1.339,1194 1.791,1195 0.226,1196 3.192,1197 1.297,1198 3.981,1199 4.033,1200 3.919,1201 3.846,1202 6.546,1203 3.857,1204 3.668,1205 3.724,1206 3.531,1207 3.57,1208 5.429,1209 3.553,1210 3.317,1211 3.379,1212 3.215,1213 3.201,1214 4.794,1215 3.187,1216 3.291,1217 3.347,1218 3.171,1219 3.058,1220 4.104,1221 3.081,1222 2.923,1223 3.005,1224 2.76,1225 2.746,1226 4.037,1227 2.738,1228 2.738,1229 2.808,1230 2.582,1231 2.522,1232 3.686,1233 2.519,1234 2.543,1235 2.636,1236 2.307,1237 2.24,1238 3.431,1239 2.253,1240 2.242,1241 2.372,1242 1.892,1243 1.893,1244 3.111,1245 1.858,1246 0.281,1247 0.242,1248 0.409,1249 0.252,1250 0.19,1251 4.217,1252 0.256,1253 3.627,1254 0.113,1255 6.137,1256 0.602,1257 3.785,1258 0.178,1259 2.844,1260 3.84,1261 1.697,1262 9.03,1263 2.677,1264 1.923,1265 1.878,1266 2.057,1267 2.084,1268 1.317,1269 2.078,1270 1.687,1271 1.635,1272 1.904,1273 1.826,1274 1.057,1275 1.857,1276 1.333,1277 1.276,1278 1.578,1279 1.498,1280 0.729,1281 1.522,1282 1.192,1283 1.137,1284 1.372,1285 1.475,1286 0.34,1287 1.442,1288 0.925,1289 0.845,1290 1.226,1291 1.142,1292 0.253,1293 1.174,1294 0.719,1295 0.64,1296 1.054,1297 0.974,1298 0.047,1299 1.002,1300 0.485,1301 0.389,1302 0.899,1303 0.84,1305 0.857,1306 0.242,1307 0.11,1308 0.727,1309 0.648,1311 0.697,1312 3.434,1314 4.595,1316 5.969,1318 7.456,1320 9.007,1327 8.483,1328 3.764,1337 5.175,1339 2.618,1340 18.182,1341 43.584,1342 104.842,1343 130.452,1344 139.207,1345 139.207,1346 139.207,1347 21.929,1348 5.293,1349 36.47,1350 36.47,1351 6,1352 11.139,1353 3.17,1354 2.807,1355 31.21,1356 39,1357 48,1358 0.388,1359 119.969,1360 209.17,1361 284.485,1362 1002,1364 10.933,1365 0.729,1366 0.579,1367 10.933,1368 8.687,1369 7.381,1370 0.492,1371 0.338,1372 5.012,1373 7.107,1374 4.912,1375 4.154,1376 7.381,1377 5.07,1378 5.443,1379 0.32,1380 0.197,1381 5.443,1382 3.355,1383 4.154,1384 0.208,1385 0.113,1386 4.154,1387 2.269,1388 3.249,1389 0.141,1390 0.065,1391 3.249,1392 1.493,1393 2.438,1394 0.098,1395 0.038,1396 2.438,1397 0.955,1398 0.601,1399 46.169,1400 0.319,1401 15.642,1402 1.069,1403 64,1404 182.128,1405 68.908,1406 183.079,1407 238.26,1408 168,1409 69,1410 168.407,1411 74.132,1412 171.205,1413 232.73,1414 159,1415 4.211}
{0 CHEMBL149026,1 1.642,2 7.8,3 1.643,4 2.7,5 57.27,6 7.182,7 0.333,8 3.46,9 3.588,10 2.975,11 2.815,12 4.714,13 2.827,14 3.93,15 4.14,16 3.162,17 3.101,18 4.948,19 3.088,20 4.019,21 4.218,22 3.15,23 3.211,24 5.066,25 3.149,26 4.15,27 4.395,28 3.116,29 3.17,30 5.19,31 3.083,32 4.086,33 4.363,34 2.95,35 3.002,36 5.129,37 2.934,38 3.912,39 4.135,40 2.651,41 2.907,42 5.056,43 2.795,44 3.713,45 4.015,46 2.432,47 2.761,48 4.602,49 2.611,50 3.452,51 3.73,52 2.206,53 2.498,54 4.576,55 2.361,56 0.098,57 0.403,58 6.479,59 2.065,60 15.944,61 3.144,62 0.302,63 0.557,64 11.717,65 2.836,66 18.224,67 4.553,68 0.213,69 0.598,70 12.385,71 4.003,72 21.11,73 5.832,74 0.332,75 0.598,76 14.89,77 3.893,78 26.098,79 6.419,80 0.343,81 0.497,82 14.736,83 3.319,84 32.338,85 5.529,86 0.397,87 0.427,88 12.221,89 3.273,90 46.575,91 4.826,92 0.162,93 0.375,94 9.839,95 2.802,96 17.947,97 4.591,98 0.128,99 0.281,100 7.489,101 2.172,102 22.246,103 3.449,104 21,105 18,106 0.321,107 0.699,108 0.851,109 0.865,110 0.878,111 0.878,112 2.791,113 0.924,114 -1.87,115 -1.93,116 -1.94,121 34.5,123 1,126 1,127 1,128 1,142 1,143 1,147 1,153 1,157 1,163 1,172 1,176 2,180 1,182 2,187 1,191 1,192 1,194 1,205 1,206 1,209 1,213 1,216 1,218 1,229 1,232 1,235 1,241 1,244 2,256 2,261 1,269 1,274 1,281 259,282 10.259,283 10.259,284 10.259,285 10.259,286 10.259,287 9.032,288 13.515,289 6.627,290 10.68,291 7.336,292 7.336,293 7.336,294 7.336,295 7.336,296 5.668,297 18.048,298 3.012,299 7.954,300 3.216,301 1.286,302 0.509,303 0.44,304 0.371,305 0.371,306 3.414,311 1,312 1,313 226,314 2.915,317 46.111,325 1.173,326 10.782,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 33.5,338 117,339 4.398,340 3.631,341 6.47,342 3.94,343 3.024,344 4.086,345 1.697,346 10.003,347 2.769,348 3.5,349 3.096,350 4.954,351 2.85,352 1.96,353 2.349,354 1.041,355 5.426,356 1.744,357 3.176,358 2.555,359 4.115,360 2.606,361 1.659,362 2.129,364 3.622,365 1.569,366 3.041,367 2.221,368 3.711,369 2.471,370 1.521,371 2.088,373 3.298,374 1.441,375 2.506,376 1.7,377 3.16,378 1.928,379 1.026,380 1.315,382 1.91,383 0.916,384 2.359,385 1.434,386 3.04,387 1.811,388 0.857,389 1.204,391 1.536,392 0.815,393 1.647,394 0.733,395 2.355,396 1.213,397 0.271,398 0.331,400 0.457,401 0.253,402 1.016,403 0.494,404 2,405 0.766,406 -0.189,407 -0.221,409 -0.314,410 -0.18,411 0.546,412 -0.164,413 1.83,414 0.183,415 -0.742,416 -0.942,418 -1.27,419 -0.682,420 0.385,421 -0.417,422 1.451,423 0.022,424 -0.891,425 -1.096,427 -1.75,428 -0.815,429 0.028,430 -0.932,431 1.327,432 -0.372,433 -1.298,434 -1.643,436 -2.89,437 -1.181,438 -0.313,439 -1.215,440 0.753,441 -0.686,442 -1.635,443 -2.104,445 -3.476,446 -1.552,447 -0.412,448 -1.47,449 0.53,450 -0.8,451 -1.709,452 -2.251,454 -4.632,455 -1.565,456 -0.518,457 -1.722,458 0.241,459 -0.956,460 -1.892,461 -2.537,462 -1.041,463 -5.423,464 -1.733,465 -0.861,466 -1.845,467 0.064,468 -1.076,469 -1.961,470 -2.707,471 -1.697,472 -6.497,473 -1.797,474 6.867,475 0.458,476 0.209,477 0.014,478 16.5,479 1.1,480 6.5,481 0.433,482 10,483 0.667,484 9.484,485 0.632,486 17.433,487 0.601,488 10.968,489 0.731,490 3.882,491 0.259,492 3.409,493 0.227,494 0.194,496 0.189,501 0.885,502 1.785,503 0.846,504 1.385,505 0.832,506 1.15,507 1.269,508 0.892,509 1.034,510 0.741,511 0.665,512 0.806,513 0.964,514 1.168,515 1.077,516 1.272,517 0.792,518 1.214,519 0.756,520 1.187,521 1.002,522 1.205,523 0.596,524 1.157,525 1.192,526 0.72,527 0.943,528 0.755,529 0.932,530 0.772,531 1.529,532 0.922,533 1.34,534 0.971,535 1.94,536 1.13,537 0.597,538 0.774,539 0.819,540 0.814,541 0.555,542 0.845,543 0.793,544 0.939,545 0.911,546 0.968,547 1.336,548 0.97,549 2,551 1.556,552 1.042,553 0.49,554 0.271,555 0.137,556 0.103,557 0.081,558 0.02,559 1490,560 4978,561 1.888,562 48.3,564 5,565 4,566 2,567 1,569 2,572 1.528,573 1.765,574 2.954,575 -0.134,577 1,579 1,582 47.604,583 1.642,584 3.572,585 4.349,586 4.418,587 4.487,588 4.487,589 2.473,590 3.774,591 3.868,592 3.07,593 322.344,594 6.476,595 2732.94,597 1,600 140.881,601 1.371,602 3.831,603 0.133,605 0.086,606 0.061,607 0.033,608 0.021,609 0.015,610 0.013,611 0.013,612 0.007,613 0.383,614 0.67,615 1,616 2.281,617 60.054,618 0.052,619 -0.494,620 0.048,621 -0.248,622 0.038,623 -0.132,624 -0.164,625 0.232,626 -0.058,627 0.201,628 -0.097,629 0.111,630 -0.062,631 -0.065,632 -0.159,633 -0.215,634 -0.098,635 -0.214,636 0.151,637 -0.201,638 -0.045,639 -0.259,640 0.089,641 -0.203,642 -0.086,643 0.151,644 0.075,645 0.106,646 0.029,647 0.139,648 -0.169,649 -0.051,650 -0.329,651 -0.006,652 -0.316,653 -0.189,654 0.003,655 0.112,656 0.116,657 0.146,658 0.071,659 0.161,660 -0.041,661 -0.063,662 0.034,663 0.012,664 -0.088,665 0.034,666 1.107,667 2.472,668 0.333,669 11.12,670 1.011,671 1.145,672 0.643,673 0.413,674 0.625,675 2.773,676 2.944,677 3.135,678 3.296,679 3.219,680 3.045,681 2.944,682 2.773,683 2.485,684 2.079,685 4.627,686 0.6,687 208.27,688 2.773,689 4.205,690 4.99,691 5.808,692 6.629,693 7.465,694 8.301,695 9.144,696 9.988,697 10.836,698 10.3,706 1,707 1,708 1,715 2,720 1,721 2,722 5,726 1,741 29,743 7,745 15,747 29,748 10,749 3,752 1,756 1,757 1,770 1,771 2,772 4,773 4,777 1,784 1,785 1,790 1,793 14,794 3,795 1,796 5,799 1,802 3,803 1,808 1,809 2,828 1,836 1,837 1,857 1,858 1,859 1,864 1,868 15,875 1,876 3,878 1,885 1,886 1,891 1,893 6.9,897 1,898 1,901 8.5,902 5.35,903 3.722,904 1.514,907 1.399,908 1.265,909 0.865,910 4.88,911 6.688,912 3.068,913 3.474,914 3.939,915 4.429,916 4.48,917 4.447,918 4.501,919 4.418,920 4.367,921 4.328,922 1,923 17,924 5.428,925 -0.001,926 2.035,927 0.026,929 7.978,931 10.119,933 7.237,934 -0.001,936 2.478,937 37.167,938 0.002,941 153.024,942 89.509,943 17.046,945 53.806,948 89.509,949 206.83,950 17.046,951 8.396,952 11.29,953 9.047,954 47.817,955 67,956 87.436,957 82.398,959 153.024,960 106.555,961 53.806,964 129.482,965 66.348,966 11,968 37.812,969 40.765,970 27.977,972 153.024,973 70.851,974 89.509,977 153.024,978 13.618,979 39.337,980 17.031,981 90.374,982 153.024,983 70.851,984 89.509,986 0.529,987 0.307,988 0.17,989 0.086,990 6,991 3,992 0.172,993 5,995 1,996 2.757,997 83.632,999 5,1000 58.603,1005 11.761,1006 6.224,1007 3.387,1009 67.053,1010 3.689,1015 0.748,1016 3.639,1017 42.806,1018 313.384,1019 20.5,1026 1.352,1027 2.989,1031 29.32,1032 33.197,1034 0.338,1035 0.735,1036 0.895,1037 0.909,1038 0.924,1039 0.924,1040 4.238,1041 -0.189,1042 4.905,1043 0.457,1044 3.611,1045 4.151,1046 2.189,1047 5.631,1048 3.449,1049 5.407,1050 -0.742,1051 6.409,1052 -0.314,1053 2.944,1054 3.726,1056 6.475,1057 2.682,1058 6.675,1059 -0.891,1060 8.034,1061 -1.27,1062 5.081,1063 6.224,1064 2.993,1065 9.583,1066 4.74,1067 7.986,1068 -1.298,1069 9.736,1070 -1.75,1071 5.398,1072 6.843,1074 11.371,1075 4.949,1076 9.336,1077 -1.635,1078 11.489,1079 -2.89,1080 6.917,1081 8.684,1082 3.938,1083 13.95,1084 6.392,1085 10.715,1086 -1.709,1087 13.277,1088 -3.476,1089 7.696,1090 9.772,1092 16.066,1093 7.072,1094 12.117,1095 -1.892,1096 15.088,1097 -4.632,1098 8.963,1099 11.352,1100 4.951,1101 18.471,1102 8.259,1103 3.024,1104 -1.961,1105 16.916,1106 -5.423,1107 9.94,1108 12.634,1110 20.704,1111 9.143,1112 1.96,1113 10.003,1114 18.754,1115 -6.497,1116 11.109,1117 14.111,1118 5.992,1119 23.047,1120 10.227,1121 1.659,1122 5.426,1123 20.6,1124 4.086,1125 12.164,1126 15.469,1128 25.323,1129 11.193,1130 1.521,1131 3.622,1132 22.452,1133 2.349,1134 13.295,1135 16.905,1136 7.044,1137 27.641,1138 12.238,1139 1.026,1140 3.298,1141 24.308,1142 2.129,1143 14.382,1144 18.292,1146 29.933,1147 13.236,1148 0.857,1149 1.91,1150 26.167,1151 2.088,1152 15.498,1153 19.712,1154 8.099,1155 32.243,1156 14.264,1157 0.271,1158 1.536,1159 28.028,1160 1.315,1161 16.596,1162 21.111,1164 34.541,1165 15.275,1166 1667,1167 3097,1168 9.534,1169 18.114,1170 22.124,1171 23.182,1172 22.098,1173 20.663,1174 20.637,1175 27.006,1176 5.476,1177 52.505,1178 19.011,1179 5.26,1180 5.476,1181 6.406,1182 5.016,1183 4.984,1184 6.794,1185 3.394,1186 16.5,1187 4.566,1188 7.963,1189 1.475,1190 1.545,1191 1.473,1192 1.378,1193 1.376,1194 1.8,1195 0.365,1196 3.5,1197 1.267,1198 4.026,1199 4.09,1200 3.979,1201 3.805,1202 6.546,1203 3.842,1204 3.619,1205 3.665,1206 3.499,1207 3.491,1208 5.43,1209 3.485,1210 3.261,1211 3.334,1212 3.174,1213 3.001,1214 4.862,1215 3.02,1216 3.247,1217 3.314,1218 3.108,1219 2.953,1220 4.478,1221 2.987,1222 3.001,1223 3.077,1224 2.8,1225 2.794,1226 4.04,1227 2.78,1228 2.764,1229 2.865,1230 2.507,1231 2.566,1232 3.786,1233 2.538,1234 2.409,1235 2.466,1236 2.211,1237 1.944,1238 3.43,1239 2.007,1240 2.196,1241 2.34,1242 1.867,1243 1.851,1244 3.029,1245 1.824,1246 0.293,1247 0.242,1248 0.431,1249 0.263,1250 0.202,1251 4.398,1252 0.272,1253 3.631,1254 0.113,1255 6.47,1256 0.667,1257 3.94,1258 0.185,1259 3.024,1260 4.086,1261 1.697,1262 10.003,1263 2.769,1264 1.666,1265 1.613,1266 1.846,1267 1.927,1268 1.032,1269 1.895,1270 1.598,1271 1.538,1272 1.79,1273 1.819,1274 0.906,1275 1.816,1276 1.516,1277 1.454,1278 1.695,1279 1.702,1280 0.82,1281 1.713,1282 1.086,1283 1.026,1284 1.345,1285 1.428,1286 0.359,1287 1.392,1288 0.993,1289 0.913,1290 1.304,1291 1.241,1292 0.316,1293 1.263,1294 0.811,1295 0.713,1296 1.172,1297 1.071,1298 0.097,1299 1.111,1300 0.441,1301 0.351,1302 0.806,1303 0.866,1305 0.856,1306 0.216,1307 0.066,1308 0.755,1309 0.605,1311 0.673,1312 3.434,1314 4.635,1315 2.398,1316 6.028,1317 4.727,1318 7.526,1319 6.783,1320 9.086,1322 1.856,1327 8.472,1328 1.509,1330 5.324,1337 5.095,1339 2.493,1340 17.391,1341 47.604,1342 103.597,1343 126.127,1344 128.127,1345 130.127,1346 130.127,1347 20.726,1348 5.288,1349 50.63,1350 50.63,1351 5,1352 11.397,1353 3,1354 2.7,1355 31.263,1356 39,1357 48,1358 0.397,1359 114.503,1360 197,1361 271.146,1362 946,1364 11.096,1365 0.74,1366 0.579,1367 11.096,1368 8.681,1369 7.291,1370 0.486,1371 0.308,1372 4.492,1373 6.782,1374 4.372,1375 3.687,1376 7.291,1377 4.621,1378 5.617,1379 0.312,1380 0.172,1381 5.617,1382 3.088,1383 4.38,1384 0.199,1385 0.093,1386 4.38,1387 2.037,1388 3.415,1389 0.131,1390 0.048,1391 3.415,1392 1.258,1393 2.318,1394 0.097,1395 0.028,1396 2.318,1397 0.674,1398 0.614,1399 47.292,1400 0.324,1401 15.58,1402 1.097,1403 66,1404 237.508,1405 76.035,1406 225.079,1407 290.54,1408 208,1409 73,1410 200.86,1411 84.008,1412 202.178,1413 279.47,1414 185,1415 4.839}
{0 CHEMBL149084,1 1.418,2 8.167,3 3.636,4 13.218,5 74.422,6 6.21,7 0.278,8 3.73,9 3.88,10 3.118,11 3.171,12 4.84,13 3.117,14 4.257,15 4.493,16 3.406,17 3.528,18 5.108,19 3.444,20 4.525,21 4.775,22 3.421,23 3.737,24 5.38,25 3.604,26 4.724,27 5.019,28 3.476,29 3.811,30 5.521,31 3.641,32 4.635,33 4.916,34 3.328,35 3.674,36 5.522,37 3.522,38 4.533,39 4.82,40 3.121,41 3.514,42 5.475,43 3.35,44 4.441,45 4.738,46 2.831,47 3.361,48 5.357,49 3.168,50 4.194,51 4.53,52 2.584,53 3.138,54 4.989,55 2.91,56 0.101,57 0.559,58 9.801,59 3.424,60 17.758,61 5.26,62 0.144,63 0.851,64 16.44,65 5.175,66 15.55,67 8.359,68 0.257,69 1.042,70 21.514,71 6.975,72 23.578,73 10.926,74 0.281,75 1.136,76 25.573,77 8.529,78 31.893,79 13.499,80 0.253,81 1.028,82 23.991,83 6.712,84 34.233,85 11.191,86 0.265,87 0.851,88 21.64,89 6.235,90 42.757,91 9.953,92 0.302,93 0.705,94 19.653,95 5.892,96 46.651,97 8.987,98 0.14,99 0.561,100 14.683,101 4.962,102 27.054,103 7.665,104 42,105 24,106 0.257,107 0.58,108 0.743,109 0.77,110 0.779,111 0.779,112 2.959,113 1.053,114 -3.36,115 -3.35,116 -3.2,121 35,122 3,123 3,127 1,132 1,142 1,143 1,147 1,153 1,157 1,163 1,172 1,176 4,180 3,182 1,187 6,189 1,191 1,194 1,200 2,203 1,206 1,209 1,213 1,214 1,216 4,219 5,229 1,232 2,237 4,239 3,241 1,244 2,249 1,251 3,256 2,261 1,264 3,269 1,274 1,277 3,281 418,282 11.731,283 11.731,284 11.731,285 11.731,286 11.731,287 10.595,288 16.96,289 7.322,290 12.013,291 8.83,292 8.83,293 8.83,294 8.83,295 8.83,296 7.215,297 19.512,298 3.344,299 9.261,300 3.904,301 2.125,302 1.232,303 1.082,304 1.032,305 1.032,306 3.584,310 1,311 1,312 1,313 283,314 3.808,317 56.911,325 1.296,326 9.715,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 38.5,338 147,339 4.621,340 3.649,341 7.289,342 4.359,343 3.414,344 4.206,345 1.697,346 12.448,347 3.229,348 3.93,349 3.498,350 6.15,351 3.658,352 2.718,353 3.107,355 8.926,356 2.549,357 3.499,358 2.784,359 4.752,360 2.815,361 1.832,362 2.184,364 4.85,365 1.801,366 3.081,367 2.416,368 4.1,369 2.534,370 1.575,371 2.093,373 3.398,374 1.505,375 2.79,376 1.764,377 3.712,378 2.321,379 1.371,380 1.813,382 3.292,383 1.3,384 2.45,385 1.348,386 3.193,387 1.945,388 0.969,389 1.25,391 1.847,392 0.944,393 2.354,394 1.145,395 3.044,396 1.81,397 0.855,398 1.202,400 1.527,401 0.814,402 1.61,403 0.622,404 2.707,405 1.183,406 0.204,407 0.257,409 0.35,410 0.199,411 0.904,412 0.216,413 2.264,414 0.696,415 -0.288,416 -0.332,418 -0.487,419 -0.283,420 0.545,421 -0.363,422 2,423 0.226,424 -0.743,425 -0.949,427 -1.297,428 -0.717,429 0.2,430 -0.724,431 2,433 -1,434 -1,436 -2.339,437 -1,439 -1,440 2,442 -1,443 -1,445 -3,446 -1,448 -1,449 1.734,450 -0.19,451 -1.143,452 -1.444,454 -3,455 -1.086,456 -0.018,457 -1.132,458 1.389,459 -0.442,460 -1.373,461 -1.711,463 -3.206,464 -1.277,465 -0.412,466 -1.467,467 0.828,468 -0.693,469 -1.656,470 -2.107,472 -4.335,473 -1.581,474 8.533,475 0.474,476 0.497,477 0.028,478 17.5,479 0.972,480 6.5,481 0.361,482 11,483 0.611,484 17.203,485 0.956,486 21.167,487 0.529,488 11.201,489 0.622,490 3.372,491 0.187,492 5.131,493 0.285,494 0.273,495 0.059,496 0.152,501 0.823,502 1.636,503 1.015,504 1.337,505 0.84,506 1.224,507 0.787,508 1.25,509 0.898,510 1.034,511 0.384,512 0.974,513 0.991,514 1.006,515 1.203,516 1.087,517 0.679,518 1.145,519 0.425,520 1.077,521 0.816,522 1.015,523 0.469,524 0.968,525 1.22,526 1.109,527 1.18,528 1.103,529 0.885,530 1.113,531 1.524,532 0.949,533 1.155,534 1.003,535 1.463,536 1.029,537 1.929,538 0.745,539 1.148,540 0.81,541 2.084,542 0.904,543 0.703,544 0.769,545 0.756,546 0.814,547 0.884,548 0.802,549 4,551 2.222,552 1.472,553 1.185,554 0.549,555 0.219,556 0.166,557 0.13,558 0.08,559 2291,560 5659,561 1.834,562 55,563 4,564 2,565 2,566 2,567 1,569 11,572 1.589,573 1.674,574 2.961,575 -0.28,577 1,579 1,582 56.712,583 1.418,584 3.197,585 4.09,586 4.24,587 4.29,588 4.29,589 2.441,590 3.684,591 4.13,592 3.149,593 481.795,594 7.029,595 4632.15,596 1,597 1,599 1,600 212.877,601 1.676,602 4.051,603 0.222,605 0.093,606 0.064,607 0.049,608 0.029,609 0.015,610 0.015,611 0.014,612 0.013,613 0.515,614 0.67,615 1,616 2.223,617 76.788,618 0.185,619 -0.291,620 0.034,621 -0.116,622 0.077,623 -0.076,624 0.043,625 -0.069,626 0.109,627 0.024,628 0.08,629 0.066,630 -0.099,631 0.142,632 -0.203,633 -0.059,634 -0.102,635 -0.131,636 0.224,637 -0.111,638 0.12,639 -0.019,640 0.077,641 0.028,642 -0.147,643 -0.078,644 -0.177,645 -0.172,646 -0.066,647 -0.168,648 -0.181,649 -0.008,650 -0.144,651 -0.085,652 -0.11,653 -0.101,654 -0.288,655 0.081,656 -0.133,657 0.096,658 -0.267,659 0.005,660 0.046,661 0.034,662 0.157,663 0.116,664 0.065,665 0.145,666 1.291,667 2.779,668 0.278,669 14.667,670 0.988,671 1.141,672 2.132,673 4.547,674 0.618,675 2.944,676 3.219,677 3.367,678 3.584,679 3.611,680 3.584,681 3.332,682 3.219,683 3.045,684 2.639,685 4.932,686 0.57,687 248.39,688 2.944,689 4.443,690 5.242,691 6.116,692 6.957,693 7.846,694 8.706,695 9.6,696 10.469,697 11.365,698 7.5,706 1,707 1,708 1,715 2,720 1,721 2,722 5,726 1,741 40,743 7,745 18,747 40,748 14,749 3,752 1,756 1,757 1,763 3,770 3,771 2,772 4,773 8,774 1,777 1,784 1,785 1,790 1,793 22,794 2,795 1,796 4,799 1,802 3,803 1,808 1,809 1,828 1,836 1,837 1,857 1,859 1,864 3,868 18,875 1,876 4,882 1,885 1,886 1,891 1,893 2.5,898 1,901 10.75,902 7.933,903 4.222,904 2.447,907 1.359,908 1.24,909 0.859,910 5.425,911 7.022,912 3.199,913 3.644,914 4.101,915 4.623,916 4.822,917 4.953,918 4.805,919 4.869,920 4.837,921 4.665,922 1,923 23,924 6.582,926 2.529,927 0.026,929 7.745,931 12.71,933 9.727,936 2.245,937 40.417,938 0.001,941 247.193,942 106.007,943 17.046,945 42.806,948 106.007,949 289.999,950 17.046,951 26.476,952 9.709,953 9.047,954 36.817,955 67,956 63.894,957 200.109,959 247.193,960 123.053,961 42.806,964 117.711,965 172.288,968 62.707,969 32.369,970 27.977,972 247.193,973 59.851,974 106.007,977 247.193,978 12.037,979 57.416,980 17.031,981 79.374,982 247.193,983 59.851,984 106.007,986 0.556,987 0.303,988 0.166,989 0.092,990 9,991 5,992 0.15,993 6,995 1,996 2.914,997 114.334,999 5,1000 68.304,1005 14.787,1006 6.604,1007 4.168,1009 56.053,1010 4.024,1015 0.894,1016 4.176,1017 42.806,1018 413.051,1019 23.5,1026 1.479,1027 3.158,1031 39.527,1032 45.649,1034 0.266,1035 0.601,1036 0.768,1037 0.797,1038 0.806,1039 0.806,1040 4.434,1041 0.204,1042 5.273,1043 1.527,1044 3.892,1045 4.324,1046 1.911,1047 6.142,1048 3.792,1049 5.656,1050 -0.288,1051 6.88,1052 0.35,1053 3.761,1054 4.182,1056 7.516,1057 3.606,1058 6.977,1059 -0.743,1060 8.625,1061 -0.487,1062 5.595,1063 6.438,1064 2.867,1065 10.53,1066 5.375,1067 8.34,1068 -1,1069 10.451,1070 -1.297,1071 6.312,1072 7.197,1074 12.669,1075 6.032,1076 9.741,1077 -1,1078 12.326,1079 -2.339,1080 7.708,1081 8.939,1082 3.887,1083 15.327,1084 7.369,1085 11.168,1086 -1.143,1087 14.232,1088 -3,1089 8.744,1090 10.093,1092 17.704,1093 8.348,1094 12.616,1095 -1.373,1096 16.158,1097 -3,1098 10.009,1099 11.641,1100 4.932,1101 20.265,1102 9.556,1103 3.414,1104 -1.656,1105 18.098,1106 -3.206,1107 11.159,1108 12.961,1110 22.729,1111 10.65,1112 2.718,1113 12.448,1114 20.047,1115 -4.335,1116 12.387,1117 14.437,1118 5.985,1119 25.26,1120 11.823,1121 1.832,1122 8.926,1123 22.003,1124 4.206,1125 13.581,1126 15.824,1128 27.757,1129 12.961,1130 1.575,1131 4.85,1132 23.965,1133 3.107,1134 14.801,1135 17.273,1136 7.041,1137 30.281,1138 14.125,1139 1.371,1140 3.398,1141 25.931,1142 2.184,1143 16.011,1144 18.689,1146 32.792,1147 15.281,1148 0.969,1149 3.292,1150 27.9,1151 2.093,1152 17.231,1153 20.129,1154 8.098,1155 35.313,1156 16.446,1157 0.855,1158 1.847,1159 29.872,1160 1.813,1161 18.449,1162 21.556,1164 37.83,1165 17.609,1166 2564,1167 4093,1168 10.92,1169 24.705,1170 27.782,1171 28.781,1172 27.226,1173 25.872,1174 25.873,1175 32.222,1176 3.394,1177 73.28,1178 24.683,1179 5.483,1180 5.528,1181 7.225,1182 5.374,1183 5.375,1184 6.923,1185 3.394,1186 20.189,1187 5.108,1188 11.327,1189 1.543,1190 1.599,1191 1.513,1192 1.437,1193 1.437,1194 1.79,1195 0.189,1196 4.071,1197 1.371,1198 4.065,1199 4.128,1200 4.015,1201 3.873,1202 6.546,1203 3.9,1204 3.697,1205 3.76,1206 3.554,1207 3.584,1208 5.429,1209 3.569,1210 3.566,1211 3.634,1212 3.422,1213 3.424,1214 4.831,1215 3.416,1216 3.295,1217 3.357,1218 3.189,1219 3.149,1220 4.236,1221 3.137,1222 3.2,1223 3.263,1224 3.071,1225 2.938,1226 4.048,1227 2.969,1228 2.874,1229 3.009,1230 2.599,1231 2.624,1232 3.956,1233 2.603,1234 2.874,1235 3.009,1236 2.499,1237 2.618,1238 3.467,1239 2.57,1240 2.814,1241 2.908,1242 2.499,1243 2.618,1244 3.467,1245 2.57,1246 0.257,1247 0.203,1248 0.405,1249 0.242,1250 0.19,1251 4.621,1252 0.234,1253 3.649,1254 0.094,1255 7.289,1256 0.692,1257 4.359,1258 0.179,1259 3.414,1260 4.206,1261 1.697,1262 12.448,1263 3.229,1264 1.805,1265 1.745,1266 2,1267 2.002,1268 1.302,1269 1.999,1270 1.752,1271 1.692,1272 1.977,1273 1.924,1274 1.206,1275 1.944,1276 1.535,1277 1.479,1278 1.709,1279 1.723,1280 0.881,1281 1.726,1282 1.317,1283 1.252,1284 1.513,1285 1.555,1286 0.561,1287 1.549,1288 1.22,1289 1.161,1290 1.451,1291 1.401,1292 0.51,1293 1.424,1294 0.934,1295 0.804,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.934,1301 0.804,1302 1.417,1303 1.239,1304 0.469,1305 1.308,1306 0.867,1307 0.783,1308 1.179,1309 1.198,1310 0.167,1311 1.175,1312 3.611,1314 4.89,1315 2.398,1316 6.358,1317 4.727,1318 7.928,1319 6.843,1320 9.559,1322 6.346,1327 8.779,1328 3.727,1334 -0.041,1337 5.232,1339 2.642,1340 22.784,1341 56.712,1342 127.88,1343 163.593,1344 169.593,1345 171.593,1346 171.593,1347 36.438,1348 5.663,1349 41.4,1350 41.4,1351 5,1352 11.896,1353 3,1354 2.7,1355 41.682,1356 50,1357 67,1358 0.417,1359 148.876,1360 257.41,1361 355.017,1362 1474,1364 13.596,1365 0.755,1366 0.638,1367 13.596,1368 11.479,1369 8.503,1370 0.472,1371 0.351,1372 6.238,1373 8.134,1374 5.942,1375 5.082,1376 8.503,1377 6.32,1378 7.612,1379 0.317,1380 0.226,1381 7.612,1382 5.423,1383 5.134,1384 0.183,1385 0.105,1386 5.134,1387 2.933,1388 4.187,1389 0.12,1390 0.058,1391 4.187,1392 2.024,1393 2.94,1394 0.082,1395 0.034,1396 2.94,1397 1.227,1398 0.636,1399 53.416,1400 0.303,1401 18.171,1402 1.185,1403 84,1404 211.773,1405 92.045,1406 211.731,1407 281.26,1408 194,1409 94,1410 209.28,1411 102.518,1412 213.177,1413 294.79,1414 196,1415 4.116}
{0 CHEMBL149230,1 1.466,2 7.389,3 2.497,4 6.233,5 72.019,6 6.057,7 0.278,8 3.789,9 3.937,10 3.154,11 3.157,12 4.847,13 3.115,14 4.345,15 4.584,16 3.461,17 3.535,18 5.187,19 3.47,20 4.558,21 4.767,22 3.523,23 3.742,24 5.459,25 3.628,26 4.869,27 5.163,28 3.444,29 3.77,30 5.652,31 3.606,32 4.691,33 4.985,34 3.276,35 3.64,36 5.526,37 3.464,38 4.706,39 5.048,40 3.147,41 3.545,42 5.461,43 3.366,44 4.266,45 4.505,46 3.143,47 3.494,48 5.098,49 3.345,50 4.434,51 4.728,52 2.856,53 3.41,54 5.247,55 3.201,56 0.092,57 0.556,58 10.77,59 3.549,60 16.309,61 5.489,62 0.278,63 0.82,64 18.468,65 5.453,66 20.199,67 8.602,68 0.202,69 0.977,70 22.676,71 7.612,72 25.808,73 11.408,74 0.595,75 1.021,76 30.341,77 8.125,78 44.203,79 13.186,80 0.308,81 0.906,82 25.058,83 6.992,84 36.928,85 11.539,86 0.562,87 0.817,88 25.119,89 6.424,90 51.254,91 10.723,92 0.095,93 0.772,94 16.294,95 5.793,96 16.172,97 8.951,98 0.211,99 0.731,100 19.255,101 5.354,102 26.045,103 9.047,104 52,105 25,106 0.266,107 0.533,108 0.717,109 0.768,110 0.777,111 0.777,112 2.959,113 1.055,114 -2.81,115 -2.82,116 -2.73,121 31,122 4,123 1,125 1,126 1,128 1,129 1,147 1,153 1,157 1,163 1,172 1,176 4,180 2,182 2,187 4,191 1,192 4,194 1,200 4,205 1,209 1,213 1,214 3,216 2,218 1,229 4,232 2,235 1,244 6,256 4,261 2,274 4,281 356,282 11.472,283 11.472,284 11.472,285 11.472,286 11.472,287 10.452,288 14.196,289 6.694,290 11.866,291 8.739,292 8.739,293 8.739,294 8.739,295 8.739,296 7.425,297 20.831,298 2.929,299 9.342,300 3.926,301 2.457,302 1.441,303 1.162,304 1.114,305 1.114,306 3.578,310 1,311 1,312 1,313 254,314 3.937,317 58.148,325 1.167,326 11.622,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 39.5,338 133,339 4.403,340 3.632,341 7.108,342 4.291,343 3.307,344 4.086,345 1.697,346 11.634,347 3.253,348 4.3,349 3.423,350 6.47,351 3.938,352 3.02,353 3.305,354 1.041,355 10.002,356 2.768,357 3.177,358 3.077,359 4.967,360 2.849,361 1.954,362 2.339,364 5.508,365 1.744,366 3.041,367 2.332,368 4.596,369 2.583,370 1.649,371 2.128,373 4.609,374 1.534,375 2.716,376 1.869,377 4.105,378 2.469,379 1.519,380 1.723,382 3.58,383 1.439,384 2.362,385 1.458,386 3.217,387 1.823,388 0.869,389 1.224,391 1.676,392 0.827,393 1.804,394 1.063,395 3.079,396 1.632,397 0.729,398 0.769,400 1.349,401 0.652,402 1.128,403 0.644,404 2.66,405 1.027,406 0.075,407 0.078,409 0.122,410 0.071,411 0.776,412 0.237,413 2.308,414 0.624,415 -0.319,416 -0.343,418 -0.553,419 -0.299,420 0.412,421 -0.254,422 2,423 0.07,424 -0.857,425 -1,427 -1.603,428 -0.795,429 0.122,430 -0.887,431 2,433 -1,434 -1,436 -2.9,437 -1,439 -1,440 2,442 -1,443 -1.041,445 -3,446 -1,448 -1,449 1.788,450 -0.199,451 -1.107,452 -1.252,454 -3,455 -1.005,456 -0.312,457 -1.219,458 1.41,459 -0.637,460 -1.56,461 -1.695,463 -3.894,464 -1.415,465 -0.318,466 -1.477,467 0.912,468 -0.713,469 -1.696,470 -1.827,472 -4.784,473 -1.554,474 8.367,475 0.465,476 0.604,477 0.034,478 16,479 0.889,480 4.5,481 0.25,482 11.5,483 0.639,484 18.741,485 1.041,486 22.533,487 0.537,488 10.37,489 0.576,490 3.1,491 0.172,492 5.297,493 0.294,494 0.339,495 0.06,496 0.215,501 0.853,502 1.867,503 1.027,504 1.554,505 0.909,506 1.352,507 1.049,508 0.952,509 0.9,510 0.854,511 0.558,512 0.842,513 0.968,514 1.45,515 1.197,516 1.562,517 0.707,518 1.441,519 1.197,520 0.902,521 0.995,522 0.888,523 0.72,524 0.921,525 0.839,526 1.15,527 1.019,528 1.168,529 0.801,530 1.119,531 1.101,532 0.395,533 0.771,534 0.37,535 1.188,536 0.497,537 0.528,538 1.49,539 1.095,540 1.448,541 0.547,542 1.372,543 0.827,544 1.259,545 1.256,546 1.305,547 0.872,548 1.323,549 5,551 2.889,552 1.667,553 0.65,554 0.524,555 0.449,556 0.413,557 0.099,559 2267,560 5175,561 1.805,562 57.1,563 12,564 4,565 3,566 2,567 1,569 2,572 1.589,573 1.624,574 2.875,575 -0.225,577 1,579 1,582 61.578,583 1.466,584 2.935,585 3.951,586 4.231,587 4.278,588 4.278,589 2.261,590 3.392,591 4.144,592 3.054,593 467.268,594 7.042,595 4549.32,596 1,597 1,599 1,600 226.477,601 1.772,602 4.03,603 0.278,605 0.116,606 0.069,607 0.031,608 0.031,609 0.026,610 0.024,611 0.01,613 0.585,614 0.67,615 1,616 2.006,617 76.595,618 0.114,619 -0.4,620 0.049,621 -0.203,622 0.03,623 -0.11,624 0.007,625 0.243,626 0.145,627 0.231,628 0.055,629 0.215,630 -0.008,631 -0.218,632 -0.183,633 -0.351,634 -0.013,635 -0.303,636 0.011,637 -0.012,638 0.001,639 0.035,640 0.025,641 0.011,642 0.019,643 -0.17,644 -0.061,645 -0.196,646 0.048,647 -0.144,648 -0.019,649 0.382,650 0.189,651 0.438,652 0.008,653 0.362,654 -0.028,655 -0.259,656 -0.158,657 -0.227,658 -0.059,659 -0.219,660 -0.122,661 -0.21,662 -0.308,663 -0.324,664 -0.101,665 -0.338,666 1.135,667 2.642,668 0.278,669 11.556,670 0.994,671 1.149,672 1.578,673 2.489,674 0.593,675 2.944,676 3.258,677 3.401,678 3.497,679 3.367,680 3.367,681 3.401,682 3.367,683 3.045,684 2.079,685 4.786,686 0.548,687 254.4,688 2.944,689 4.466,690 5.273,691 6.142,692 6.973,693 7.843,694 8.681,695 9.551,696 10.393,697 11.262,698 7.1,706 1,707 1,708 1,715 2,720 1,721 2,722 5,726 1,741 42,743 6,745 18,747 42,748 13,749 3,752 1,756 1,757 1,763 4,764 1,770 2,772 4,773 9,777 1,784 1,785 1,790 1,793 24,794 3,795 1,796 5,799 1,802 3,803 1,808 1,809 2,828 1,857 1,858 1,859 1,864 5,868 18,875 1,876 2,878 1,880 1,882 1,893 4.8,897 1,898 1,901 11.083,902 8.85,903 4.139,904 2.528,907 1.171,908 1.209,909 0.844,910 5.351,911 6.78,912 3.114,913 3.618,914 4.032,915 4.475,916 4.514,917 4.579,918 4.71,919 4.766,920 4.579,921 3.944,922 0.8,923 24,924 6.609,926 2.542,927 0.026,929 7.708,931 12.759,933 9.72,936 2.208,937 39.75,938 0.002,941 270.735,942 79.865,943 17.046,945 53.806,948 79.865,949 324.541,950 17.046,951 43.697,952 6.698,953 9.047,954 47.817,955 67,956 35.313,957 211.88,959 270.735,960 96.911,961 53.806,964 247.193,965 66.348,966 11,968 68.521,969 17.444,970 10.947,972 270.735,973 70.851,974 79.865,977 270.735,978 9.026,979 74.638,981 67.053,982 270.735,983 70.851,984 79.865,986 0.578,987 0.331,988 0.162,989 0.066,990 10,991 6,992 0.143,993 6,995 1,996 2.856,997 115.19,999 5,1000 70.304,1005 15.188,1006 6.341,1007 4.088,1009 67.053,1010 3.81,1015 0.793,1016 3.787,1017 42.806,1018 421.452,1019 21.5,1026 1.404,1027 3.073,1031 41.738,1032 48.273,1034 0.272,1035 0.544,1036 0.733,1037 0.785,1038 0.793,1039 0.793,1040 4.36,1041 0.075,1042 5.333,1043 1.349,1044 3.932,1045 4.297,1046 2.189,1047 6.196,1048 3.808,1049 5.583,1050 -0.319,1051 6.954,1052 0.122,1053 3.892,1054 4.27,1056 7.545,1057 3.771,1058 6.913,1059 -0.857,1060 8.697,1061 -0.553,1062 5.659,1063 6.408,1064 2.993,1065 10.483,1066 5.448,1067 8.282,1068 -1,1069 10.509,1070 -1.603,1071 6.399,1072 7.184,1074 12.563,1075 6.2,1076 9.683,1077 -1,1078 12.364,1079 -2.9,1080 7.754,1081 8.869,1082 3.938,1083 15.135,1084 7.493,1085 11.105,1086 -1.107,1087 14.245,1088 -3,1089 8.775,1090 9.99,1092 17.444,1093 8.517,1094 12.542,1095 -1.56,1096 16.144,1097 -3,1098 10.004,1099 11.501,1100 4.951,1101 19.916,1102 9.707,1103 3.307,1104 -1.696,1105 18.054,1106 -3.894,1107 11.124,1108 12.777,1110 22.303,1111 10.82,1112 3.02,1113 11.634,1114 19.974,1115 -4.784,1116 12.314,1117 14.219,1118 5.992,1119 24.746,1120 11.985,1121 1.954,1122 10.002,1123 21.9,1124 4.086,1125 13.469,1126 15.563,1128 27.163,1129 13.13,1130 1.649,1131 5.508,1132 23.83,1133 3.305,1134 14.648,1135 16.979,1136 7.044,1137 29.601,1138 14.292,1139 1.519,1140 4.609,1141 25.764,1142 2.339,1143 15.817,1144 18.355,1146 32.031,1147 15.45,1148 0.869,1149 3.58,1150 27.702,1151 2.128,1152 16.995,1153 19.762,1154 8.099,1155 34.47,1156 16.614,1157 0.729,1158 1.676,1159 29.642,1160 1.723,1161 18.17,1162 21.153,1164 36.907,1165 17.779,1166 2529,1167 3942,1168 10.633,1169 24.921,1170 26.886,1171 29.111,1172 28.193,1173 26.2,1174 26.247,1175 31.307,1176 5.476,1177 76.96,1178 24.576,1179 5.297,1180 5.477,1181 6.867,1182 5.39,1183 5.281,1184 6.794,1185 3.394,1186 18.482,1187 5.05,1188 12.308,1189 1.494,1190 1.617,1191 1.566,1192 1.456,1193 1.458,1194 1.739,1195 0.304,1196 4.276,1197 1.365,1198 4.032,1199 4.095,1200 3.983,1201 3.816,1202 6.546,1203 3.849,1204 3.817,1205 3.869,1206 3.691,1207 3.693,1208 4.867,1209 3.686,1210 3.418,1211 3.504,1212 3.205,1213 3.246,1214 4.551,1215 3.221,1216 3.253,1217 3.332,1218 3.165,1219 2.959,1220 4.172,1221 2.99,1222 3.239,1223 3.314,1224 3.047,1225 2.952,1226 4.039,1227 2.967,1228 2.929,1229 3.018,1230 2.68,1231 2.682,1232 3.946,1233 2.666,1234 2.874,1235 3.009,1236 2.499,1237 2.618,1238 3.741,1239 2.57,1240 2.874,1241 3.009,1242 2.499,1243 2.618,1244 3.467,1245 2.57,1246 0.245,1247 0.202,1248 0.395,1249 0.238,1250 0.184,1251 4.403,1252 0.227,1253 3.632,1254 0.094,1255 7.108,1256 0.646,1257 4.291,1258 0.181,1259 3.307,1260 4.086,1261 1.697,1262 11.634,1263 3.253,1264 1.823,1265 1.776,1266 2.043,1267 1.994,1268 1.335,1269 2.007,1270 1.637,1271 1.571,1272 1.799,1273 1.891,1274 0.958,1275 1.867,1276 1.537,1277 1.47,1278 1.787,1279 1.77,1280 0.92,1281 1.767,1282 1.443,1283 1.359,1284 1.714,1285 1.657,1286 0.827,1287 1.703,1288 1.066,1289 0.988,1290 1.417,1291 1.432,1292 0.469,1293 1.394,1294 0.934,1295 0.838,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.934,1301 0.804,1302 1.345,1303 1.239,1304 0.379,1305 1.308,1306 0.925,1307 0.804,1308 1.288,1309 1.212,1310 0.342,1311 1.242,1312 3.611,1314 4.92,1315 2.398,1316 6.409,1317 4.727,1318 7.977,1319 6.783,1320 9.584,1322 10.545,1327 8.642,1328 1.429,1330 5.948,1332 0.198,1334 0.12,1340 23.025,1341 61.578,1342 123.284,1343 165.948,1344 177.683,1345 179.683,1346 179.683,1347 37.388,1348 5.609,1349 50.63,1350 50.63,1351 5,1352 11.811,1353 2.807,1354 2.17,1355 41.679,1356 52,1357 47,1358 0.414,1359 149.134,1360 254.18,1361 355.648,1362 1382,1364 13.759,1365 0.764,1366 0.665,1367 13.759,1368 11.974,1369 8.396,1370 0.466,1371 0.352,1372 6.205,1373 7.905,1374 5.832,1375 5.036,1376 8.396,1377 6.33,1378 7.816,1379 0.313,1380 0.226,1381 7.816,1382 5.656,1383 5.555,1384 0.192,1385 0.109,1386 5.555,1387 3.165,1388 4.246,1389 0.133,1390 0.066,1391 4.246,1392 2.115,1393 2.433,1394 0.087,1395 0.028,1396 2.433,1397 0.795,1398 0.634,1399 53.832,1400 0.307,1401 18.008,1402 1.172,1403 86,1404 237.508,1405 96.699,1406 225.191,1407 297.3,1408 208,1409 97,1410 215.769,1411 109.337,1412 218.848,1413 306.47,1414 199,1415 4.62}
{0 CHEMBL149542,1 1.53,2 8,3 3.001,4 9.004,5 70.813,6 6.588,7 0.278,8 3.7,9 3.838,10 3.14,11 3.09,12 4.854,13 3.067,14 4.218,15 4.439,16 3.36,17 3.41,18 5.136,19 3.355,20 4.404,21 4.632,22 3.395,23 3.551,24 5.323,25 3.457,26 4.527,27 4.781,28 3.413,29 3.567,30 5.471,31 3.453,32 4.52,33 4.798,34 3.291,35 3.489,36 5.481,37 3.38,38 4.399,39 4.65,40 3.129,41 3.457,42 5.419,43 3.315,44 4.29,45 4.583,46 3.013,47 3.384,48 5.129,49 3.226,50 4.153,51 4.428,52 2.867,53 3.234,54 5.124,55 3.073,56 0.074,57 0.52,58 9.122,59 3.085,60 17.433,61 4.66,62 0.254,63 0.745,64 16.003,65 4.559,66 19.445,67 7.162,68 0.235,69 0.835,70 19.148,71 6.19,72 27.551,73 9.158,74 0.346,75 0.878,76 21.909,77 6.319,78 35.161,79 10.01,80 0.381,81 0.812,82 22.115,83 5.769,84 43.613,85 9.275,86 0.388,87 0.76,88 19.356,89 5.846,90 53.704,91 8.909,92 0.18,93 0.724,94 16.868,95 5.229,96 25.903,97 8.424,98 0.129,99 0.621,100 14.664,101 4.578,102 25.535,103 7.305,104 38,105 22,106 0.281,107 0.629,108 0.841,109 0.87,110 0.88,111 0.88,112 2.958,113 1.015,114 -2.72,115 -2.73,116 -2.65,121 34.2,122 1,123 3,126 1,128 1,129 1,142 1,143 1,147 1,153 1,157 1,163 1,172 1,176 4,180 2,182 2,187 3,191 1,192 2,194 1,200 2,205 1,206 2,209 1,213 1,214 3,216 2,218 1,227 2,229 2,232 2,235 1,239 1,241 2,244 4,256 4,261 2,269 2,274 2,281 384,282 12.284,283 12.284,284 12.284,285 12.284,286 12.284,287 11.057,288 14.593,289 7.779,290 12.69,291 8.768,292 8.768,293 8.768,294 8.768,295 8.768,296 7.127,297 19.916,298 3.408,299 9.382,300 3.718,301 1.825,302 0.671,303 0.513,304 0.461,305 0.461,306 3.59,310 1,311 1,312 1,313 277,314 3.536,317 58.337,325 1.111,326 12.946,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 39.5,338 144,339 4.399,340 3.631,341 6.471,342 3.942,343 3.026,344 4.086,345 1.697,346 10.005,347 2.77,348 3.634,349 3.129,350 5.337,351 3.418,352 2.479,353 2.574,354 1.041,355 6.939,356 2.323,357 3.287,358 2.909,359 4.93,360 2.754,361 1.853,362 2.296,364 5.349,365 1.665,366 3.094,367 2.222,368 4.108,369 2.472,370 1.525,371 2.128,373 3.591,374 1.442,375 3.041,376 1.915,377 3.297,378 2.247,379 1.247,380 1.729,382 2.117,383 1.247,384 2.363,385 1.472,386 3.247,387 1.952,388 1.019,389 1.23,391 1.987,392 0.942,393 2.137,394 1.279,395 3.104,396 1.816,397 0.86,398 1.103,400 1.545,401 0.82,402 1.71,403 0.821,404 2.582,405 1.402,406 0.479,407 0.545,409 0.817,410 0.439,411 1.043,412 0.594,413 2,414 0.795,415 -0.153,416 -0.167,418 -0.275,419 -0.144,420 0.857,421 -0.121,422 2,423 0.555,424 -0.445,425 -0.538,427 -0.632,428 -0.445,429 0.441,430 -0.344,431 1.735,432 0.158,433 -0.772,434 -0.944,436 -1.357,437 -0.712,438 0.317,439 -0.526,440 1.555,441 0.02,442 -0.897,443 -1.094,445 -1.721,446 -0.82,447 0.023,448 -0.94,449 1.406,450 -0.307,451 -1.245,452 -1.49,454 -2.963,455 -1.155,456 -0.313,457 -1.201,458 0.865,459 -0.667,460 -1.6,461 -1.826,463 -4.027,464 -1.495,465 -0.37,466 -1.47,467 0.659,468 -0.8,469 -1.706,470 -2.136,472 -4.485,473 -1.554,474 8.367,475 0.465,476 0.277,477 0.015,478 18,479 1,480 6.5,481 0.361,482 11.5,483 0.639,484 14.8,485 0.822,486 21.333,487 0.561,488 12.324,489 0.685,490 3.844,491 0.214,492 4.879,493 0.271,494 0.219,496 0.215,501 0.861,502 1.73,503 0.935,504 1.408,505 0.829,506 1.219,507 1.129,508 1.027,509 1.016,510 0.947,511 0.601,512 0.948,513 1.071,514 1.073,515 1.031,516 1.144,517 0.758,518 1.098,519 0.867,520 1.164,521 0.982,522 1.153,523 0.591,524 1.098,525 1.279,526 0.778,527 0.999,528 0.799,529 0.994,530 0.836,531 1.202,532 0.995,533 1.141,534 0.993,535 1.592,536 1.066,537 0.61,538 0.923,539 0.914,540 0.924,541 0.625,542 0.95,543 0.684,544 1.172,545 1.029,546 1.188,547 0.934,548 1.162,549 3,551 2,552 1.167,553 0.65,554 0.413,555 0.274,556 0.207,557 0.161,558 0.04,559 2403,560 6635,561 1.876,562 52.6,563 5,564 4,565 4,566 2,567 1,569 4,572 1.589,573 1.742,574 3.037,575 -0.225,577 1,578 1,579 1,582 58.122,583 1.53,584 3.423,585 4.577,586 4.735,587 4.787,588 4.787,589 2.441,590 3.572,591 4.139,592 3.157,593 483.025,594 7.037,595 4770.95,596 1,597 1,599 1,600 199.421,601 1.436,602 4.086,603 0.167,605 0.091,606 0.053,607 0.031,608 0.022,609 0.017,610 0.014,611 0.013,612 0.007,613 0.414,614 0.67,615 1,616 2.271,617 77.404,618 0.096,619 -0.387,620 0.046,621 -0.194,622 0.068,623 -0.107,624 -0.045,625 0.124,626 -0.01,627 0.067,628 -0.027,629 0.041,630 -0.039,631 -0.015,632 -0.053,633 -0.091,634 -0.044,635 -0.081,636 0.138,637 -0.168,638 -0.003,639 -0.17,640 0.105,641 -0.121,642 -0.103,643 0.147,644 0.01,645 0.104,646 -0.017,647 0.087,648 -0.062,649 -0.046,650 -0.156,651 0.008,652 -0.187,653 -0.085,654 -0.038,655 0.068,656 0.004,657 0.062,658 -0.019,659 0.048,660 -0.036,661 -0.169,662 -0.106,663 -0.18,664 -0.03,665 -0.156,666 1.258,667 2.608,668 0.278,669 13.407,670 0.999,671 1.143,672 1.487,673 2.212,674 0.616,675 2.944,676 3.135,677 3.332,678 3.497,679 3.434,680 3.332,681 3.332,682 3.296,683 3.045,684 2.639,685 5.036,686 0.578,687 250.36,688 2.944,689 4.394,690 5.187,691 6.014,692 6.836,693 7.675,694 8.509,695 9.353,696 10.194,697 11.041,698 7.9,706 1,707 1,708 1,715 2,720 1,721 2,722 5,726 1,741 38,743 7,745 18,747 38,748 13,749 3,752 1,756 1,757 1,763 1,770 4,771 2,772 4,773 7,777 1,784 1,785 1,790 1,793 20,794 3,795 1,796 5,799 1,802 3,803 1,808 1,809 2,828 1,836 1,837 1,857 1,858 1,859 1,864 2,868 18,875 1,876 4,878 1,880 1,885 1,886 1,891 1,893 5.3,897 1,898 1,901 10.333,902 7.183,903 4.472,904 2.319,907 1.322,908 1.236,909 0.868,910 6.479,911 6.931,912 3.199,913 3.59,914 4.032,915 4.52,916 4.577,917 4.589,918 4.71,919 4.766,920 4.722,921 4.677,922 1,923 22,924 6.572,926 2.495,927 0.026,929 7.833,931 12.509,933 9.255,936 2.333,937 42,938 0.001,941 223.651,942 98.811,943 17.046,945 53.806,948 98.811,949 277.456,950 17.046,951 17.222,952 11.767,953 9.047,954 47.817,955 67,956 87.436,957 153.024,959 223.651,960 115.856,961 53.806,964 176.567,965 89.89,966 11,968 47.114,969 40.765,970 27.977,972 223.651,973 70.851,974 98.811,977 223.651,978 14.095,979 48.162,980 17.031,981 90.374,982 223.651,983 70.851,984 98.811,986 0.531,987 0.315,988 0.181,989 0.088,990 7,991 4,992 0.184,993 7,995 1,996 2.996,997 110.593,999 5,1000 73.059,1005 14.748,1006 7.908,1007 4.475,1009 67.053,1010 3.742,1015 0.758,1016 3.706,1017 42.806,1018 393.313,1019 23.5,1026 1.374,1027 3.045,1031 37.971,1032 43.443,1034 0.291,1035 0.652,1036 0.872,1037 0.902,1038 0.912,1039 0.912,1040 4.385,1041 0.479,1042 5.118,1043 1.545,1044 3.807,1045 4.27,1046 2.189,1047 5.855,1048 3.665,1049 5.545,1050 -0.153,1051 6.632,1052 0.817,1053 3.219,1054 3.861,1056 6.698,1057 2.966,1058 6.81,1059 -0.445,1060 8.258,1061 -0.275,1062 5.303,1063 6.301,1064 2.993,1065 9.764,1066 4.996,1067 8.115,1068 -0.772,1069 9.953,1070 -0.632,1071 5.638,1072 6.905,1074 11.502,1075 5.209,1076 9.456,1077 -0.897,1078 11.691,1079 -1.357,1080 7.127,1081 8.725,1082 3.938,1083 14.055,1084 6.643,1085 10.823,1086 -1.245,1087 13.46,1088 -1.721,1089 7.886,1090 9.8,1092 16.136,1093 7.288,1094 12.214,1095 -1.6,1096 15.25,1097 -2.963,1098 9.134,1099 11.371,1100 4.951,1101 18.526,1102 8.469,1103 3.026,1104 -1.706,1105 17.057,1106 -4.027,1107 10.084,1108 12.646,1110 20.741,1111 9.314,1112 2.479,1113 10.005,1114 18.876,1115 -4.485,1116 11.237,1117 14.119,1118 5.992,1119 23.075,1120 10.389,1121 1.853,1122 6.939,1123 20.705,1124 4.086,1125 12.272,1126 15.474,1128 25.342,1129 11.325,1130 1.525,1131 5.349,1132 22.541,1133 2.574,1134 13.39,1135 16.908,1136 7.044,1137 27.657,1138 12.358,1139 1.247,1140 3.591,1141 24.383,1142 2.296,1143 14.461,1144 18.295,1146 29.945,1147 13.335,1148 1.019,1149 2.117,1150 26.23,1151 2.128,1152 15.568,1153 19.714,1154 8.099,1155 32.252,1156 14.354,1157 0.86,1158 1.987,1159 28.081,1160 1.729,1161 16.656,1162 21.113,1164 34.549,1165 15.35,1166 2653,1167 4492,1168 11.326,1169 23.398,1170 26.443,1171 27.844,1172 27.039,1173 24.984,1174 24.977,1175 31.382,1176 5.476,1177 64.7,1178 23.296,1179 5.291,1180 5.477,1181 6.273,1182 5.04,1183 5,1184 6.794,1185 3.394,1186 16.515,1187 4.572,1188 10.45,1189 1.469,1190 1.547,1191 1.502,1192 1.388,1193 1.388,1194 1.743,1195 0.304,1196 3.594,1197 1.294,1198 4.029,1199 4.093,1200 3.981,1201 3.81,1202 6.546,1203 3.846,1204 3.752,1205 3.804,1206 3.625,1207 3.623,1208 5.43,1209 3.615,1210 3.44,1211 3.508,1212 3.27,1213 3.319,1214 4.862,1215 3.299,1216 3.259,1217 3.333,1218 3.173,1219 2.996,1220 4.491,1221 3.011,1222 3.247,1223 3.314,1224 3.094,1225 2.953,1226 4.064,1227 2.986,1228 3.025,1229 3.107,1230 2.814,1231 2.828,1232 4.038,1233 2.809,1234 2.832,1235 2.936,1236 2.56,1237 2.611,1238 3.777,1239 2.586,1240 2.549,1241 2.67,1242 2.238,1243 2.314,1244 3.47,1245 2.272,1246 0.244,1247 0.202,1248 0.359,1249 0.219,1250 0.168,1251 4.399,1252 0.227,1253 3.631,1254 0.094,1255 6.471,1256 0.556,1257 3.942,1258 0.154,1259 3.026,1260 4.086,1261 1.697,1262 10.005,1263 2.77,1264 1.759,1265 1.711,1266 1.987,1267 1.957,1268 1.292,1269 1.957,1270 1.633,1271 1.566,1272 1.796,1273 1.875,1274 0.939,1275 1.862,1276 1.535,1277 1.467,1278 1.75,1279 1.765,1280 0.875,1281 1.765,1282 1.46,1283 1.4,1284 1.686,1285 1.625,1286 0.817,1287 1.657,1288 1.094,1289 1.032,1290 1.375,1291 1.428,1292 0.44,1293 1.393,1294 1.023,1295 0.936,1296 1.343,1297 1.271,1298 0.358,1299 1.303,1300 0.862,1301 0.763,1302 1.245,1303 1.137,1304 0.313,1305 1.186,1306 0.604,1307 0.489,1308 1.033,1309 0.925,1311 0.951,1312 3.611,1314 4.828,1315 2.398,1316 6.236,1317 4.727,1318 7.741,1319 6.783,1320 9.3,1322 3.977,1327 8.608,1328 2.997,1330 5.773,1332 0.076,1337 5.315,1339 2.628,1340 21.972,1341 58.122,1342 130.063,1343 173.911,1344 179.911,1345 181.911,1346 181.911,1347 34.535,1348 5.609,1349 50.63,1350 50.63,1351 5,1352 11.602,1353 3,1354 2.7,1355 41.667,1356 54,1357 48,1358 0.391,1359 143.28,1360 248.9,1361 341.362,1362 1430,1364 13.38,1365 0.743,1366 0.609,1367 13.38,1368 10.965,1369 8.723,1370 0.485,1371 0.338,1372 5.967,1373 8.225,1374 5.775,1375 4.909,1376 8.723,1377 6.092,1378 6.788,1379 0.309,1380 0.191,1381 6.788,1382 4.212,1383 5.291,1384 0.196,1385 0.104,1386 5.291,1387 2.819,1388 4.281,1389 0.134,1390 0.058,1391 4.281,1392 1.85,1393 2.854,1394 0.095,1395 0.033,1396 2.854,1397 0.98,1398 0.605,1399 55.792,1400 0.297,1401 18.26,1402 1.087,1403 80,1404 251.508,1405 90.699,1406 239.903,1407 313.5,1408 222,1409 89,1410 221.769,1411 100.673,1412 222.722,1413 310.33,1414 205,1415 5.283}
{0 CHEMBL150,1 1.492,2 7.857,3 1.771,4 3.137,5 73.734,6 9.234,7 0.522,8 3.609,9 3.652,10 3.306,11 3.142,12 5.022,13 3.192,14 4.001,15 4.047,16 3.713,17 3.51,18 5.44,19 3.562,20 4.319,21 4.391,22 3.866,23 3.607,24 5.88,25 3.67,26 4.353,27 4.457,28 3.809,29 3.496,30 6.022,31 3.557,32 4.212,33 4.322,34 3.546,35 3.366,36 5.752,37 3.411,38 4.053,39 4.175,40 3.358,41 3.229,42 5.625,43 3.24,44 3.893,45 4.043,46 3.17,47 3.034,48 5.486,49 3.032,50 3.704,51 3.838,52 2.83,53 2.729,54 5.319,55 2.734,56 0.264,57 0.367,58 4.259,59 2.882,60 39.898,61 2.181,62 0.289,63 0.557,64 5.424,65 4.425,66 38.576,67 3.825,68 0.706,69 0.733,70 10.545,71 5.799,72 100.095,73 4.854,74 0.964,75 0.745,76 13.706,77 5.97,78 121.286,79 5.687,80 0.755,81 0.648,82 12.156,83 5.154,84 107.512,85 4.182,86 0.644,87 0.562,88 10.233,89 4.546,90 101.619,91 4.245,92 0.532,93 0.484,94 9.49,95 3.996,96 85.489,97 4.303,98 0.486,99 0.385,100 7.71,101 3.109,102 77.436,103 2.727,104 26,105 34,106 0.278,107 0.569,108 0.706,109 0.824,110 0.865,111 0.877,112 3.105,113 0.78,114 -2.22,115 -2.26,116 -2.23,121 48.4,140 2,144 6,145 2,146 4,159 1,176 4,180 4,185 6,187 7,192 2,195 2,197 4,200 2,205 1,206 6,209 3,210 1,211 5,214 2,219 2,223 1,224 4,227 4,232 2,235 2,237 2,239 5,248 2,249 4,251 2,259 1,261 6,264 2,281 484,282 13.723,283 13.723,284 13.723,285 13.723,286 13.723,287 11.79,288 13.823,289 7.77,290 13.939,291 11.296,292 11.296,293 11.296,294 11.296,295 11.296,296 8.381,297 16.607,298 3.677,299 11.714,300 3.462,301 1.904,302 1.17,303 0.54,304 0.323,305 0.258,306 3.777,310 1,311 1,312 1,313 351,314 2.121,318 155.567,322 83.463,325 1.211,326 42.786,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 48,338 165,339 4.642,340 3.756,341 6.924,342 4.263,343 3.288,344 4.287,345 0.86,346 11.543,347 3.207,348 4.237,349 3.037,350 6.366,351 3.808,352 2.834,353 3.852,355 9.608,356 2.758,357 3.862,358 2.976,359 5.591,360 3.424,361 2.45,362 3.356,364 7.136,365 2.378,366 3.582,367 2.615,368 5.143,369 3.193,370 2.233,371 2.907,373 6.22,374 2.128,375 3.289,376 2.335,377 5.021,378 2.889,379 1.958,380 2.531,382 5.789,383 1.812,384 3.245,385 2.248,386 4.922,387 2.838,388 1.886,389 2.476,391 5.436,392 1.78,393 2.813,394 1.902,395 4.416,396 2.318,397 1.354,398 1.818,400 3.85,401 1.286,402 2.5,403 1.267,404 3.414,405 2,406 1,407 1.5,409 2.275,410 1,411 1.68,412 1,413 3.331,414 1.328,415 0.407,416 0.47,418 1.007,419 0.366,420 1.35,421 0.562,422 3.059,423 0.948,424 -0.031,425 -0.04,427 -0.08,428 -0.029,429 1.127,430 0.176,431 2.65,432 0.749,433 -0.195,434 -0.248,436 -0.466,437 -0.182,438 0.901,439 -0.068,440 2.426,441 0.494,442 -0.433,443 -0.544,445 -1.108,446 -0.395,447 0.5,448 -0.149,449 2.075,450 0.188,451 -0.68,452 -0.768,454 -1.65,455 -0.584,456 0.495,457 -0.682,458 2,460 -1,461 -1.411,463 -3,464 -1,465 0.131,466 -0.854,467 1.657,468 -0.246,469 -1.19,470 -1.5,472 -3.054,473 -1.086,474 9.5,475 0.452,476 0.703,477 0.033,478 30.25,479 1.44,480 17,481 0.81,482 13.25,483 0.631,484 12.662,485 0.603,486 22.3,487 0.719,488 23.234,489 1.106,490 6.265,491 0.298,492 3.704,493 0.176,494 0.175,496 0.474,501 1.009,502 0.765,503 0.74,504 0.734,505 0.994,506 0.648,507 0.758,508 1.164,509 0.607,510 1.132,511 0.652,512 0.905,513 1.015,514 1.129,515 0.899,516 1.109,517 0.944,518 1,519 0.872,520 1.011,521 0.863,522 1.006,523 0.813,524 0.955,525 1.331,526 0.937,527 1.212,528 0.93,529 1.246,530 0.987,531 0.99,532 1.005,533 1.142,534 1.026,535 1.178,536 1.115,537 0.76,538 1.032,539 0.959,540 1.053,541 0.854,542 1.086,543 1.275,544 1.128,545 1.449,546 1.157,547 1.304,548 1.313,549 5,550 0.012,551 2.889,552 2.188,553 1.942,554 0.875,555 0.567,556 0.283,557 0.127,558 0.101,559 3807,560 14707,561 2.018,562 32.3,564 6,567 4,572 1.637,573 1.826,574 2.958,575 1.921,577 1,579 1,582 46.248,583 1.492,584 3.05,585 3.784,586 4.414,587 4.632,588 4.696,589 2.453,590 3.939,591 4.364,592 3.073,593 645.406,594 7.502,595 6541.99,596 1,597 1,599 1,600 153.58,601 1.545,602 4.289,603 0.217,604 0.004,605 0.085,606 0.059,607 0.059,608 0.034,609 0.027,610 0.017,611 0.012,612 0.02,613 0.533,614 0.5,615 1,616 0.702,617 92.397,618 -0.222,619 0.236,620 -0.092,621 0.243,622 -0.252,623 0.171,624 -0.064,625 -0.174,626 0.03,627 -0.158,628 -0.026,629 -0.063,630 -0.053,631 -0.156,632 -0.066,633 -0.155,634 -0.06,635 -0.128,636 0.191,637 -0.047,638 0.128,639 -0.05,640 0.163,641 -0.01,642 -0.255,643 0.029,644 -0.227,645 0.025,646 -0.179,647 -0.051,648 -0.022,649 -0.04,650 -0.158,651 -0.059,652 -0.09,653 -0.137,654 0.138,655 -0.073,656 0.095,657 -0.073,658 0.146,659 -0.03,660 -0.182,661 -0.177,662 -0.374,663 -0.204,664 -0.137,665 -0.324,666 2.475,667 5.12,668 0.762,669 13.574,670 1.045,671 1.107,672 0.992,673 0.984,674 0.695,675 3.178,676 3.555,677 3.85,678 4.143,679 4.394,680 4.5,681 4.575,682 4.625,683 4.654,684 4.605,685 4.715,686 0.707,687 286.25,688 3.178,689 4.745,690 5.617,691 6.524,692 7.414,693 8.326,694 9.225,695 10.139,696 11.042,697 11.958,715 6,720 6,722 12,727 1,738 3,739 1,741 31,743 14,744 2,745 23,747 33,748 15,749 12,750 6,751 6,752 3,756 3,757 4,772 15,777 2,782 1,786 3,789 1,790 1,793 10,794 6,795 4,796 6,808 0.667,809 6,829 3,833 1,849 2,857 1,859 2,868 21,875 4,878 1,893 19.4,895 4,896 1,898 1,901 11.5,902 5.383,903 4.5,904 1.589,907 2.642,908 1.385,909 0.888,910 3.176,911 9.511,912 3.466,913 4.127,914 4.723,915 5.298,916 5.837,917 6.133,918 6.428,919 6.788,920 7.092,921 7.327,922 1,923 37,924 7.804,926 3.598,927 0.026,929 8.429,931 13.759,933 11.368,936 2.929,937 61.5,941 70.627,942 78.849,945 206.878,948 78.849,949 277.505,953 56.857,954 206.255,955 22.614,957 70.627,959 70.627,960 78.849,961 206.878,964 70.627,965 206.878,969 73.606,970 5.243,972 70.627,973 206.878,974 78.849,977 70.627,978 21.991,979 56.857,981 206.878,982 70.627,983 206.878,984 78.849,986 0.601,987 0.357,988 0.194,989 0.108,990 18,991 9,992 0.03,993 1,994 1,995 1.125,996 3.164,997 169.537,998 0.125,999 16,1000 88.239,1005 13.637,1006 4.891,1007 2.273,1009 206.878,1010 7.82,1015 -0.633,1017 170.733,1018 356.354,1019 31,1024 12.12,1028 -1.58,1031 32.382,1032 34.332,1034 0.301,1035 0.616,1036 0.764,1037 0.891,1038 0.935,1039 0.948,1040 4.727,1041 1,1042 5.645,1043 3.85,1044 4.234,1045 4.812,1046 0.908,1047 6.515,1048 4.163,1049 5.983,1050 0.407,1051 7.249,1052 2.275,1053 4.007,1054 4.771,1056 7.522,1057 3.892,1058 7.326,1059 -0.031,1060 8.95,1061 1.007,1062 5.889,1063 7.059,1064 0.739,1065 10.661,1066 5.765,1067 8.701,1068 -0.195,1069 10.707,1070 -0.08,1071 6.415,1072 7.754,1074 12.472,1075 6.255,1076 10.103,1077 -0.433,1078 12.498,1079 -0.466,1080 7.836,1081 9.568,1082 0.593,1083 15.164,1084 7.667,1085 11.526,1086 -0.68,1087 14.316,1088 -1.108,1089 8.71,1090 10.617,1092 17.326,1093 8.511,1094 12.965,1095 -1,1096 16.154,1097 -1.65,1098 9.962,1099 12.23,1100 0.469,1101 19.857,1102 9.749,1103 3.288,1104 -1.19,1105 18.007,1106 -3,1107 11,1108 13.462,1110 22.172,1111 10.759,1112 2.834,1113 11.543,1114 19.872,1115 -3.054,1116 12.193,1117 14.981,1118 0.366,1119 24.641,1120 11.934,1121 2.45,1122 9.608,1123 21.749,1124 4.287,1125 13.305,1126 16.31,1128 27.023,1129 13.02,1130 2.233,1131 7.136,1132 23.633,1133 3.852,1134 14.482,1135 17.786,1136 0.283,1137 29.471,1138 14.175,1139 1.958,1140 6.22,1141 25.525,1142 3.356,1143 15.629,1144 19.167,1146 31.883,1147 15.298,1148 1.886,1149 5.789,1150 27.423,1151 2.907,1152 16.803,1153 20.623,1154 0.217,1155 34.324,1156 16.449,1157 1.354,1158 5.436,1159 29.325,1160 2.531,1161 17.968,1162 22.033,1164 36.752,1165 17.588,1166 3790,1167 7533,1168 14.74,1169 21.534,1170 35.443,1171 36.822,1172 37.243,1173 34.904,1174 34.82,1175 46.396,1176 1.72,1177 105.727,1178 33.431,1179 5.504,1180 5.756,1181 6.338,1182 5.36,1183 5.288,1184 7.287,1185 1.72,1186 19.19,1187 5.207,1188 12.138,1189 1.541,1190 1.601,1191 1.619,1192 1.518,1193 1.514,1194 2.017,1195 0.075,1196 4.597,1197 1.454,1198 4.027,1199 4.026,1200 4.002,1201 3.936,1202 7.429,1203 3.949,1204 3.858,1205 3.873,1206 3.807,1207 3.789,1208 6.494,1209 3.791,1210 3.482,1211 3.476,1212 3.445,1213 3.326,1214 6.471,1215 3.354,1216 3.063,1217 3.058,1218 3.016,1219 2.856,1220 6.459,1221 2.889,1222 2.895,1223 2.925,1224 2.809,1225 2.735,1226 6.445,1227 2.723,1228 2.854,1229 2.912,1230 2.706,1231 2.708,1232 4.774,1233 2.715,1234 2.781,1235 2.782,1236 2.687,1237 2.494,1238 4.525,1239 2.536,1240 2.592,1241 2.573,1242 2.508,1243 2.143,1244 4.033,1245 2.237,1246 0.202,1247 0.163,1248 0.301,1249 0.185,1250 0.143,1251 4.642,1252 0.186,1253 3.756,1254 0.037,1255 6.924,1256 0.502,1257 4.263,1258 0.139,1259 3.288,1260 4.287,1261 0.86,1262 11.543,1263 3.207,1264 1.955,1265 1.952,1266 2.021,1267 2.062,1268 1.129,1269 2.043,1270 1.84,1271 1.826,1272 1.923,1273 1.935,1274 1.026,1275 1.933,1276 1.385,1277 1.387,1278 1.453,1279 1.58,1280 0.494,1281 1.536,1282 0.938,1283 0.935,1284 1.181,1285 1.213,1286 0.218,1287 1.161,1288 0.886,1289 0.821,1290 1.093,1291 1.08,1292 0.097,1293 1.107,1294 0.815,1295 0.79,1296 1.011,1297 1.062,1298 0.065,1299 1.046,1300 0.612,1301 0.603,1302 0.836,1303 0.99,1305 0.935,1306 0.305,1307 0.319,1308 0.594,1309 0.827,1311 0.731,1312 3.85,1314 5.209,1316 6.774,1318 8.439,1320 10.157,1327 38.363,1330 5.409,1340 21.923,1341 46.248,1342 94.561,1343 117.315,1344 136.825,1345 143.58,1346 145.58,1347 53.639,1348 6.869,1349 111.13,1350 111.13,1351 18,1352 12.472,1353 3.907,1354 3.17,1355 32.004,1356 60,1357 65,1358 0.278,1359 133.034,1360 240.8,1361 316.362,1362 7347,1364 15.146,1365 0.721,1366 0.503,1367 15.146,1368 10.569,1369 9.969,1370 0.433,1371 0.26,1372 5.88,1373 9.52,1374 5.806,1375 4.764,1376 9.969,1377 5.983,1378 9.529,1379 0.28,1380 0.132,1381 9.529,1382 4.494,1383 8.033,1384 0.175,1385 0.067,1386 8.033,1387 3.065,1388 6.868,1389 0.111,1390 0.034,1391 6.868,1392 2.084,1393 5.377,1394 0.067,1395 0.017,1396 5.377,1397 1.387,1398 0.416,1399 63.519,1400 0.26,1401 20.219,1402 0.828,1403 114,1404 426.07,1405 128.726,1406 403.249,1407 533.08,1408 370,1409 137,1410 385.03,1411 152.171,1412 384.976,1413 566.8,1414 362,1415 4.032}
{0 CHEMBL150156,1 1.579,2 8.4,3 2.181,4 4.757,5 60.835,6 6.91,7 0.333,8 3.479,9 3.628,10 2.964,11 2.865,12 4.702,13 2.851,14 3.956,15 4.192,16 3.157,17 3.172,18 4.919,19 3.121,20 4.128,21 4.386,22 3.093,23 3.261,24 5.079,25 3.153,26 4.18,27 4.468,28 3.018,29 3.198,30 5.14,31 3.077,32 4.017,33 4.292,34 2.871,35 3.051,36 5.023,37 2.943,38 3.936,39 4.21,40 2.62,41 2.939,42 4.919,43 2.802,44 3.767,45 4.071,46 2.457,47 2.757,48 4.71,49 2.613,50 3.486,51 3.767,52 2.217,53 2.518,54 4.518,55 2.379,56 0.102,57 0.435,58 6.929,59 2.182,60 15.676,61 3.456,62 0.17,63 0.612,64 11.861,65 3.087,66 14.074,67 5.318,68 0.19,69 0.65,70 14.305,71 4.095,72 24.737,73 6.75,74 0.318,75 0.619,76 15.599,77 3.721,78 30.345,79 6.655,80 0.219,81 0.518,82 13.132,83 3.195,84 25.217,85 5.588,86 0.199,87 0.451,88 12.218,89 3.147,90 31.471,91 5.236,92 0.153,93 0.368,94 10.356,95 2.75,96 23.827,97 4.599,98 0.11,99 0.279,100 7.687,101 2.163,102 19.542,103 3.479,104 21,105 18,106 0.307,107 0.681,108 0.844,109 0.87,110 0.87,111 0.87,112 2.79,113 0.982,114 -3.09,115 -3.09,116 -2.97,121 33.3,123 3,126 1,127 1,142 1,143 1,157 1,162 1,163 1,171 1,172 1,176 4,179 1,182 1,187 3,189 1,191 2,192 1,200 2,203 1,206 2,208 1,209 2,214 1,216 1,219 2,226 1,229 1,232 3,241 1,244 3,249 1,256 2,261 1,269 1,274 1,281 250,282 10.207,283 10.207,284 10.207,285 10.207,286 10.207,287 9.007,288 12.217,289 6.621,290 10.471,291 7.359,292 7.359,293 7.359,294 7.359,295 7.359,296 5.691,297 10.345,298 3.054,299 7.751,300 3.327,301 1.402,302 0.558,303 0.425,304 0.425,305 0.425,306 3.414,311 1,312 1,313 243,314 2.915,317 46.111,325 1.36,326 9.711,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 33,338 126,339 4.322,340 3.627,341 6.143,342 3.859,343 2.935,344 4.004,345 1.697,346 9.079,347 2.71,348 3.502,349 2.981,350 5.103,351 3.065,352 2.121,353 2.624,355 6.106,356 2.003,357 3.395,358 2.427,359 4.203,360 2.684,361 1.694,362 2.103,364 3.769,365 1.674,366 2.945,367 2.21,368 3.713,369 2.417,370 1.487,371 1.995,373 3.329,374 1.38,375 2.507,376 1.512,377 3.146,378 2.014,379 1.025,380 1.323,382 1.884,383 1.013,384 2.386,385 1.237,386 3.042,387 1.824,388 0.885,389 1.218,391 1.568,392 0.829,393 1.598,394 0.629,395 2.367,396 1.16,397 0.174,398 0.223,400 0.288,401 0.171,402 0.836,403 0.212,404 2,405 0.63,406 -0.332,407 -0.384,409 -0.598,410 -0.318,411 0.675,412 -0.373,413 1.718,414 0.343,415 -0.612,416 -0.754,418 -1.162,419 -0.582,420 0.385,421 -0.498,422 1.456,423 0.042,424 -0.904,425 -1.129,427 -1.779,428 -0.855,429 0.043,430 -0.933,431 1.235,432 -0.333,433 -1.288,434 -1.64,436 -2.835,437 -1.226,438 -0.303,439 -1.354,440 1.036,441 -0.662,442 -1.609,443 -2.105,445 -3.589,446 -1.502,447 -0.417,448 -1.613,449 0.538,450 -0.77,451 -1.715,452 -2.195,454 -4.557,455 -1.623,456 -0.517,457 -1.826,458 0.237,459 -0.954,460 -1.901,461 -2.597,463 -5.442,464 -1.789,465 -0.857,466 -1.859,467 0.064,468 -1.019,469 -1.96,470 -2.687,471 -1.697,472 -6.061,473 -1.884,474 6.933,475 0.462,476 0.226,477 0.015,478 16,479 1.067,480 6.5,481 0.433,482 9.5,483 0.633,484 10.349,485 0.69,486 17.367,487 0.579,488 9.888,489 0.659,490 3.421,491 0.228,492 3.854,493 0.257,494 0.192,496 0.188,501 0.749,502 1.625,503 0.884,504 1.325,505 0.777,506 1.164,507 0.858,508 1.125,509 0.952,510 0.99,511 0.457,512 0.967,513 0.756,514 1.115,515 0.997,516 1.138,517 0.723,518 1.109,519 0.762,520 0.907,521 1.012,522 0.933,523 0.634,524 0.988,525 1.009,526 0.97,527 1.072,528 1.015,529 0.93,530 1.032,531 1.336,532 0.978,533 1.167,534 1.021,535 1.421,536 1.073,537 0.985,538 0.801,539 0.877,540 0.815,541 0.927,542 0.831,543 1.108,544 0.897,545 0.982,546 0.97,547 1.39,548 0.971,549 2.5,550 0.017,551 1.111,552 1.042,553 0.49,554 0.271,555 0.137,556 0.103,557 0.081,558 0.02,559 1562,560 4824,561 1.888,562 50,563 4,564 5,565 1,566 2,567 1,569 2,572 1.524,573 1.765,574 3.077,575 -0.134,577 1,579 1,582 47.384,583 1.579,584 3.505,585 4.348,586 4.482,587 4.482,588 4.482,589 2.556,590 3.64,591 3.867,592 3.171,593 332.972,594 6.457,595 2841,597 1,600 147.207,601 1.371,602 3.831,603 0.167,604 0.008,605 0.062,606 0.065,607 0.035,608 0.023,609 0.015,610 0.013,611 0.013,612 0.005,613 0.406,614 0.67,615 1,616 2.281,617 60.671,618 0.211,619 -0.289,620 0.047,621 -0.16,622 0.104,623 -0.11,624 -0.029,625 0.034,626 -0.003,627 0.007,628 0.032,629 0.008,630 0.015,631 -0.076,632 -0.062,633 -0.127,634 -0.055,635 -0.115,636 0.114,637 0.057,638 -0.045,639 -0.026,640 0.045,641 -0.054,642 -0.043,643 0.001,644 -0.101,645 -0.086,646 -0.052,647 -0.09,648 -0.234,649 -0.081,650 -0.189,651 -0.07,652 -0.231,653 -0.119,654 -0.075,655 0.029,656 0.09,657 0.128,658 0.028,659 0.138,660 -0.111,661 -0.038,662 -0.017,663 0.01,664 -0.153,665 0.011,666 1.047,667 2.384,668 0.333,669 12,670 1.003,671 1.15,672 1.861,673 3.463,674 0.622,675 2.773,676 2.944,677 3.091,678 3.258,679 3.219,680 3.091,681 2.996,682 2.773,683 2.565,684 2.197,685 4.88,686 0.59,687 207.29,688 2.773,689 4.205,690 4.977,691 5.79,692 6.597,693 7.427,694 8.251,695 9.089,696 9.921,697 10.763,698 13.3,706 1,707 1,708 2,715 1,716 1,720 1,721 2,722 5,726 1,741 30,743 7,745 15,747 30,748 10,749 2,752 1,756 1,757 1,770 3,771 2,772 3,773 5,777 1,784 1,785 1,790 1,793 15,794 3,795 1,796 5,802 4,803 1,808 1,809 1,828 1,836 1,837 1,857 1,859 1,864 1,868 15,875 1,876 4,885 1,886 1,890 1,891 1,893 3.3,898 1,901 8.5,902 5.55,903 3.694,904 1.773,907 1.352,908 1.256,909 0.87,910 4.853,911 6.64,912 3.068,913 3.474,914 3.91,915 4.401,916 4.509,917 4.545,918 4.559,919 4.321,920 4.306,921 4.42,922 0.833,923 16,924 5.437,925 -0.001,926 2.047,927 0.026,929 7.911,931 10.272,933 7.505,934 -0.001,936 2.411,937 36.167,938 0.003,941 164.795,942 78.451,943 33.586,945 42.806,948 78.451,949 207.601,950 33.586,951 8.396,952 9.709,954 61.976,955 57.952,956 52.123,957 129.482,959 164.795,960 112.038,961 42.806,964 141.253,965 66.348,968 35.802,969 31.718,970 44.518,972 164.795,973 76.392,974 78.451,977 164.795,978 12.037,979 29.738,980 17.031,981 96.037,982 164.795,983 76.392,984 78.451,986 0.529,987 0.296,988 0.162,989 0.084,990 6,991 3,992 0.167,993 5,995 1,996 2.795,997 82.441,999 5,1000 58.603,1005 11.736,1006 6.203,1007 3.723,1009 72.716,1010 1.854,1011 4.216,1015 0.62,1016 3.606,1017 42.806,1018 319.639,1019 20.5,1026 1.304,1027 2.942,1031 30.094,1032 34.486,1034 0.322,1035 0.714,1036 0.886,1037 0.913,1038 0.913,1039 0.913,1040 4.238,1041 -0.332,1042 4.89,1043 0.288,1044 3.611,1045 4.151,1046 1.911,1047 5.58,1048 3.5,1049 5.407,1050 -0.612,1051 6.368,1052 -0.598,1053 2.944,1054 3.726,1056 6.26,1057 2.714,1058 6.67,1059 -0.904,1060 7.956,1061 -1.162,1062 5.056,1063 6.206,1064 2.867,1065 9.344,1066 4.803,1067 7.971,1068 -1.288,1069 9.611,1070 -1.779,1071 5.303,1072 6.769,1074 10.927,1075 4.904,1076 9.306,1077 -1.609,1078 11.309,1079 -2.835,1080 6.823,1081 8.615,1082 3.887,1083 13.464,1084 6.402,1085 10.666,1086 -1.715,1087 13.037,1088 -3.589,1089 7.522,1090 9.643,1092 15.41,1093 6.964,1094 12.046,1095 -1.901,1096 14.786,1097 -4.557,1098 8.783,1099 11.222,1100 4.932,1101 17.747,1102 8.186,1103 2.935,1104 -1.96,1105 16.55,1106 -5.442,1107 9.694,1108 12.458,1110 19.844,1111 8.977,1112 2.121,1113 9.079,1114 18.325,1115 -6.061,1116 10.846,1117 13.926,1118 5.985,1119 22.102,1120 10.074,1121 1.694,1122 6.106,1123 20.108,1124 4.004,1125 11.85,1126 15.249,1128 24.262,1129 10.975,1130 1.487,1131 3.769,1132 21.898,1133 2.624,1134 12.957,1135 16.67,1136 7.041,1137 26.49,1138 12.016,1139 1.025,1140 3.329,1141 23.693,1142 2.103,1143 14.002,1144 18.031,1146 28.677,1147 12.968,1148 0.885,1149 1.884,1150 25.492,1151 1.995,1152 15.091,1153 19.433,1154 8.098,1155 30.892,1156 13.984,1157 0.174,1158 1.568,1159 27.293,1160 1.323,1161 16.154,1162 20.808,1164 33.089,1165 14.96,1166 1738,1167 3130,1168 9.534,1169 18.665,1170 22.177,1171 23.293,1172 21.9,1173 20.7,1174 20.64,1175 26.981,1176 3.394,1177 52.046,1178 19.559,1179 5.179,1180 5.487,1181 6.079,1182 4.878,1183 4.895,1184 6.691,1185 3.394,1186 15.14,1187 4.594,1188 8.032,1189 1.478,1190 1.553,1191 1.46,1192 1.38,1193 1.376,1194 1.799,1195 0.226,1196 3.47,1197 1.304,1198 4.005,1199 4.083,1200 3.96,1201 3.751,1202 6.546,1203 3.79,1204 3.676,1205 3.737,1206 3.54,1207 3.554,1208 5.429,1209 3.547,1210 3.356,1211 3.421,1212 3.249,1213 3.205,1214 4.965,1215 3.199,1216 3.226,1217 3.302,1218 3.098,1219 2.932,1220 4.104,1221 2.962,1222 3.013,1223 3.113,1224 2.807,1225 2.776,1226 3.974,1227 2.768,1228 2.708,1229 2.812,1230 2.453,1231 2.468,1232 3.83,1233 2.447,1234 2.409,1235 2.484,1236 2.206,1237 2.002,1238 3.35,1239 2.036,1240 2.263,1241 2.404,1242 1.913,1243 1.94,1244 3.148,1245 1.924,1246 0.288,1247 0.242,1248 0.41,1249 0.257,1250 0.196,1251 4.322,1252 0.267,1253 3.627,1254 0.113,1255 6.143,1256 0.605,1257 3.859,1258 0.181,1259 2.935,1260 4.004,1261 1.697,1262 9.079,1263 2.71,1264 1.751,1265 1.69,1266 1.978,1267 1.945,1268 1.292,1269 1.954,1270 1.602,1271 1.532,1272 1.783,1273 1.854,1274 0.883,1275 1.835,1276 1.466,1277 1.402,1278 1.651,1279 1.696,1280 0.793,1281 1.684,1282 1.188,1283 1.116,1284 1.412,1285 1.454,1286 0.363,1287 1.448,1288 0.991,1289 0.899,1290 1.291,1291 1.275,1292 0.321,1293 1.281,1294 0.688,1295 0.582,1296 1.075,1297 0.974,1298 0.075,1299 1.008,1300 0.529,1301 0.438,1302 0.872,1303 0.949,1305 0.931,1306 0.283,1307 0.14,1308 0.732,1309 0.654,1311 0.721,1312 3.434,1314 4.635,1315 2.398,1316 6.014,1317 4.727,1318 7.486,1319 6.783,1320 9.016,1322 1.849,1327 8.384,1328 3.637,1337 5.154,1339 2.602,1340 17.698,1341 47.384,1342 105.153,1343 130.452,1344 134.452,1345 134.452,1346 134.452,1347 21.978,1348 5.288,1349 54.29,1350 54.29,1351 5,1352 11.33,1353 3,1354 2.7,1355 31.418,1356 42,1357 48,1358 0.376,1359 117.301,1360 199.21,1361 277.973,1362 946,1364 11.096,1365 0.74,1366 0.59,1367 11.096,1368 8.849,1369 7.274,1370 0.485,1371 0.327,1372 4.804,1373 6.843,1374 4.682,1375 3.972,1376 7.274,1377 4.908,1378 5.713,1379 0.317,1380 0.187,1381 5.713,1382 3.357,1383 4.271,1384 0.203,1385 0.102,1386 4.271,1387 2.139,1388 3.344,1389 0.134,1390 0.055,1391 3.344,1392 1.37,1393 2.253,1394 0.094,1395 0.033,1396 2.253,1397 0.803,1398 0.59,1399 46.637,1400 0.324,1401 15.753,1402 1.009,1403 66,1404 213.418,1405 74.822,1406 209.114,1407 273.78,1408 192,1409 72,1410 199.421,1411 82.155,1412 199.822,1413 274.73,1414 184,1415 4.204}
{0 CHEMBL150212,1 1.587,2 9,3 1.993,4 3.972,5 57.784,6 7.331,7 0.4,8 3.414,9 3.529,10 2.945,11 2.858,12 4.696,13 2.854,14 3.852,15 4.031,16 3.089,17 3.133,18 4.916,19 3.095,20 4.002,21 4.199,22 3.08,23 3.222,24 5.064,25 3.141,26 4.046,27 4.301,28 2.939,29 3.074,30 5.078,31 2.976,32 3.89,33 4.152,34 2.753,35 2.892,36 4.903,37 2.806,38 3.633,39 3.854,40 2.578,41 2.822,42 4.7,43 2.697,44 3.62,45 3.911,46 2.428,47 2.688,48 4.593,49 2.553,50 3.23,51 3.434,52 2.22,53 2.427,54 4.533,55 2.311,56 0.086,57 0.382,58 5.885,59 2.348,60 15.792,61 3.107,62 0.223,63 0.539,64 10.261,65 3.303,66 16.677,67 4.536,68 0.138,69 0.599,70 11.924,71 4.334,72 22.765,73 5.993,74 0.176,75 0.569,76 13.476,77 4.124,78 28.75,79 6.121,80 0.255,81 0.47,82 11.981,83 3.364,84 27.988,85 4.868,86 0.132,87 0.397,88 8.398,89 3.118,90 19.783,91 4.416,92 0.179,93 0.36,94 9.072,95 2.826,96 19.415,97 4.283,98 0.169,99 0.251,100 5.673,101 2.057,102 23.719,103 2.841,104 16,105 17,106 0.312,107 0.726,108 0.847,109 0.847,110 0.847,111 0.847,112 2.789,113 0.928,114 -2.46,115 -2.49,116 -2.44,121 39.3,123 1,127 1,128 1,142 1,143 1,144 2,145 1,147 2,157 1,172 1,176 4,180 2,182 1,187 2,189 2,192 3,197 1,203 1,206 3,211 2,216 1,219 1,221 1,229 1,238 1,239 2,241 1,243 1,251 3,259 1,264 3,269 1,277 1,281 249,282 10.414,283 10.414,284 10.414,285 10.414,286 10.414,287 9.137,288 10.353,289 6.877,290 10.734,291 7.364,292 7.364,293 7.364,294 7.364,295 7.364,296 5.625,297 9.715,298 3.186,299 7.812,300 3.22,301 1.111,302 0.5,303 0.5,304 0.5,305 0.5,306 3.421,311 1,312 1,313 261,314 2.828,318 53.611,325 1.6,326 10.385,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 33,338 135,339 4.058,340 3.624,341 5.49,342 3.615,343 2.657,344 3.669,345 1.697,346 7.385,347 2.558,348 3.561,349 2.805,350 5.128,351 3.157,352 2.225,353 2.866,354 1.041,355 6.369,356 2.059,357 3.495,358 2.506,359 3.725,360 2.664,361 1.718,362 2.103,364 3.376,365 1.623,366 2.734,367 2.298,368 3.414,369 2.108,370 1.167,371 1.636,373 2.275,374 1.093,375 2.511,376 1.803,377 3.236,378 1.984,379 1,380 1.5,382 2.11,383 0.983,384 2.5,385 1,386 3,387 1.916,388 1,389 1.304,391 1.724,392 0.906,393 1.683,394 0.888,395 2.347,396 1.227,397 0.278,398 0.35,400 0.469,401 0.261,402 1.112,403 0.541,404 2,405 0.791,406 -0.179,407 -0.215,409 -0.294,410 -0.173,411 0.603,412 -0.211,413 1.83,414 0.287,415 -0.66,416 -0.829,418 -1.124,419 -0.62,420 0.5,421 -0.474,422 1.42,423 -0.049,424 -1,425 -1.352,427 -1.8,428 -0.931,429 0.366,430 -1,431 1,432 -0.061,433 -1,434 -1.5,436 -3,437 -0.946,438 -0.306,439 -1.084,440 0.586,441 -0.552,442 -1.505,443 -1.948,445 -3.115,446 -1.419,447 -0.469,448 -1.328,449 0.53,450 -0.81,451 -1.77,452 -2.134,454 -4.26,455 -1.672,456 -0.5,457 -1.667,458 0.23,459 -1.035,460 -1.932,461 -2.448,462 -1.041,463 -4.839,464 -1.784,465 -0.85,466 -2,467 0.063,468 -1.043,469 -2,470 -3,471 -1.697,472 -5.275,473 -1.936,474 6.967,475 0.464,476 0.136,477 0.009,478 17.75,479 1.183,480 8.5,481 0.567,482 9.25,483 0.617,484 8.453,485 0.564,486 16.733,487 0.598,488 11.154,489 0.744,490 4.112,491 0.274,492 3.252,493 0.217,494 0.12,496 0.129,501 0.836,502 1.394,503 0.834,504 1.18,505 0.831,506 1.04,507 1.243,508 0.928,509 1.122,510 0.881,511 0.697,512 0.951,513 0.96,514 1.278,515 1.08,516 1.276,517 0.782,518 1.218,519 0.94,520 1.126,521 0.936,522 1.093,523 0.635,524 1.021,525 1.277,526 0.672,527 0.998,528 0.723,529 1.079,530 0.789,531 0.654,532 1.202,533 1.057,534 1.277,535 1.08,536 1.268,537 0.602,538 0.566,539 0.778,540 0.679,541 0.559,542 0.74,543 0.664,544 1.031,545 1.072,546 1.129,547 1.484,548 1.19,549 2,550 0.017,551 0.889,552 0.25,553 0.382,554 0.236,555 0.141,556 0.075,557 0.057,558 0.036,559 1677,560 5685,561 1.925,562 46.4,564 4,565 3,566 3,567 1,569 2,572 1.52,573 1.837,574 3.183,575 -0.2,579 1,582 44.446,583 1.587,584 3.696,585 4.307,586 4.307,587 4.307,588 4.307,589 2.74,590 3.457,591 3.866,592 3.276,593 343.952,594 6.437,595 2974.02,597 1,600 134.606,601 1.103,602 3.857,603 0.133,604 0.006,605 0.052,606 0.016,607 0.029,608 0.021,609 0.016,610 0.009,611 0.01,612 0.009,613 0.301,614 0.67,615 1,616 2.205,617 61.399,618 0.08,619 -0.202,620 0.03,621 -0.102,622 0.036,623 -0.065,624 -0.173,625 0.181,626 -0.187,627 0.095,628 -0.129,629 -0.023,630 -0.1,631 -0.271,632 -0.167,633 -0.258,634 -0.091,635 -0.233,636 -0.037,637 -0.212,638 0.043,639 -0.159,640 0.099,641 -0.056,642 -0.143,643 0.231,644 0.029,645 0.172,646 -0.079,647 0.142,648 0.094,649 -0.245,650 -0.145,651 -0.258,652 -0.114,653 -0.261,654 0.126,655 0.324,656 0.204,657 0.259,658 0.127,659 0.255,660 0.313,661 -0.108,662 -0.129,663 -0.105,664 -0.038,665 -0.193,666 1.03,667 2.309,668 0.4,669 12.853,670 1.008,671 1.132,672 1.23,673 1.513,674 0.647,675 2.773,676 2.89,677 2.996,678 3.091,679 3.219,680 3.091,681 3.045,682 2.833,683 2.565,684 2.398,685 5.182,686 0.62,687 205.26,688 2.773,689 4.174,690 4.92,691 5.694,692 6.466,693 7.253,694 8.039,695 8.833,696 9.625,697 10.423,698 7.1,707 1,708 1,715 4,720 1,721 1,722 6,726 1,741 28,743 8,745 15,747 28,748 11,749 5,752 1,756 1,757 1,770 1,771 2,772 6,773 3,777 1,784 1,785 1,790 1,793 13,794 3,795 1,796 4,802 2,803 1,808 1,809 2,822 1,829 1,836 1,837 1,857 1,858 1,859 1,868 15,875 1,876 3,878 1,885 1,886 1,891 1,893 7.1,897 1,898 1,901 8.167,902 4.817,903 3.75,904 1.496,907 1.576,908 1.298,909 0.87,910 5.273,911 6.869,912 3.091,913 3.45,914 3.855,915 4.282,916 4.739,917 4.725,918 4.875,919 4.707,920 4.386,921 4.541,922 1,923 16,924 5.423,925 -0.001,926 2.029,927 0.026,929 7.978,931 10.119,933 7.237,934 -0.001,936 2.478,937 37.167,938 0.002,941 141.253,942 100.923,943 15.147,945 53.806,948 100.923,949 195.059,950 15.147,952 11.29,953 18.952,954 57.26,955 77.334,956 75.665,957 70.627,959 141.253,960 116.069,961 53.806,964 117.711,965 66.348,966 11,968 42.633,969 45.459,970 27.977,972 141.253,973 68.952,974 100.923,977 141.253,978 14.476,979 47.994,980 17.031,981 90.374,982 141.253,983 68.952,984 100.923,986 0.518,987 0.281,988 0.147,989 0.08,990 5,991 2,992 0.179,993 5,995 1,996 2.869,997 80.044,999 6,1000 54.603,1005 11.542,1006 6.853,1007 4.477,1009 67.053,1010 7.328,1015 0.831,1016 1.866,1017 42.806,1018 311.128,1019 21,1026 1.365,1027 2.934,1031 28.218,1032 31.699,1034 0.33,1035 0.769,1036 0.896,1037 0.896,1038 0.896,1039 0.896,1040 4.227,1041 -0.179,1042 4.779,1043 0.469,1044 3.555,1045 4.127,1046 2.189,1047 5.361,1048 3.446,1049 5.362,1050 -0.66,1051 6.184,1052 -0.294,1053 2.565,1054 3.332,1056 5.784,1057 2.431,1058 6.589,1059 -1,1060 7.688,1061 -1.124,1062 4.905,1063 6.099,1064 2.993,1065 8.802,1066 4.696,1067 7.848,1068 -1,1069 9.254,1070 -1.8,1071 4.796,1072 6.229,1074 10.098,1075 4.565,1076 9.134,1077 -1.505,1078 10.859,1079 -3,1080 6.5,1081 8.349,1082 3.938,1083 12.516,1084 6.204,1085 10.44,1086 -1.77,1087 12.489,1088 -3.115,1089 6.86,1090 8.952,1092 14.168,1093 6.547,1094 11.76,1095 -1.932,1096 14.137,1097 -4.26,1098 8.228,1099 10.744,1100 4.951,1101 16.349,1102 7.858,1103 2.657,1104 -2,1105 15.796,1106 -4.839,1107 8.851,1108 11.61,1110 18.166,1111 8.463,1112 2.225,1113 7.385,1114 17.463,1115 -5.275,1116 10.037,1117 13.219,1118 5.992,1119 20.242,1120 9.599,1121 1.718,1122 6.369,1123 19.135,1124 3.669,1125 10.811,1126 14.241,1128 22.142,1129 10.352,1130 1.167,1131 3.376,1132 20.812,1133 2.866,1134 11.899,1135 15.74,1136 7.044,1137 24.171,1138 11.395,1139 1,1140 2.275,1141 22.491,1142 2.103,1143 12.76,1144 16.859,1146 26.114,1147 12.229,1148 1,1149 2.11,1150 24.172,1151 1.636,1152 13.795,1153 18.289,1154 8.099,1155 28.121,1156 13.223,1157 0.278,1158 1.724,1159 25.855,1160 1.5,1161 14.704,1162 19.471,1164 30.087,1165 14.104,1166 1835,1167 3429,1168 9.822,1169 18.108,1170 21.485,1171 22.716,1172 20.947,1173 20.088,1174 20.091,1175 26.855,1176 5.476,1177 47.416,1178 18.963,1179 4.908,1180 5.624,1181 5.427,1182 4.657,1183 4.657,1184 6.669,1185 3.394,1186 12.66,1187 4.494,1188 6.855,1189 1.432,1190 1.514,1191 1.396,1192 1.339,1193 1.339,1194 1.79,1195 0.365,1196 3.161,1197 1.264,1198 3.964,1199 4.011,1200 3.903,1201 3.829,1202 6.546,1203 3.841,1204 3.621,1205 3.665,1206 3.505,1207 3.495,1208 5.43,1209 3.489,1210 3.379,1211 3.439,1212 3.299,1213 3.134,1214 4.829,1215 3.166,1216 3.105,1217 3.152,1218 2.991,1219 2.85,1220 4.486,1221 2.87,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 4.081,1227 2.715,1228 2.841,1229 2.921,1230 2.671,1231 2.602,1232 3.674,1233 2.605,1234 2.458,1235 2.534,1236 2.242,1237 2.099,1238 3.501,1239 2.126,1240 2.179,1241 2.321,1242 1.841,1243 1.831,1244 3.219,1245 1.786,1246 0.271,1247 0.242,1248 0.366,1249 0.241,1250 0.177,1251 4.058,1252 0.245,1253 3.624,1254 0.113,1255 5.49,1256 0.492,1257 3.615,1258 0.171,1259 2.657,1260 3.669,1261 1.697,1262 7.385,1263 2.558,1264 1.903,1265 1.862,1266 2.015,1267 2.067,1268 1.117,1269 2.054,1270 1.605,1271 1.562,1272 1.82,1273 1.779,1274 1.003,1275 1.792,1276 1.283,1277 1.225,1278 1.482,1279 1.556,1280 0.623,1281 1.529,1282 1.016,1283 0.96,1284 1.258,1285 1.31,1286 0.218,1287 1.292,1288 0.886,1289 0.821,1290 1.181,1291 1.082,1292 0.16,1293 1.111,1294 0.816,1295 0.731,1296 1.151,1297 1.062,1298 0.09,1299 1.107,1300 0.352,1301 0.267,1302 0.799,1303 0.769,1305 0.765,1306 0.21,1307 0.06,1308 0.716,1309 0.6,1311 0.669,1312 3.434,1314 4.595,1316 5.953,1318 7.409,1320 8.919,1327 8.309,1328 1.65,1330 5.297,1337 5.086,1339 2.5,1340 17.37,1341 44.446,1342 103.487,1343 120.606,1344 120.606,1345 120.606,1346 120.606,1347 20.2,1348 5.293,1349 45.7,1350 45.7,1351 6,1352 11.023,1353 3.17,1354 2.807,1355 31.543,1356 45,1357 48,1358 0.348,1359 114.373,1360 200.66,1361 270.831,1362 1002,1364 10.933,1365 0.729,1366 0.559,1367 10.933,1368 8.388,1369 7.364,1370 0.491,1371 0.309,1372 4.542,1373 6.951,1374 4.457,1375 3.747,1376 7.364,1377 4.641,1378 5.525,1379 0.325,1380 0.176,1381 5.525,1382 2.993,1383 4.129,1384 0.217,1385 0.097,1386 4.129,1387 1.846,1388 3.077,1389 0.147,1390 0.052,1391 3.077,1392 1.088,1393 2.309,1394 0.096,1395 0.03,1396 2.309,1397 0.717,1398 0.558,1399 47.105,1400 0.319,1401 15.975,1402 0.909,1403 64,1404 225.863,1405 71.565,1406 216.675,1407 277.28,1408 200,1409 68,1410 186.761,1411 75.761,1412 189.354,1413 258.59,1414 174,1415 4.015}
{0 CHEMBL150365,1 1.54,2 10.739,3 2.212,4 4.893,5 91.867,6 7.367,7 0.48,8 3.836,9 3.965,10 3.4,11 3.346,12 4.947,13 3.333,14 4.373,15 4.562,16 3.672,17 3.702,18 5.358,19 3.662,20 4.614,21 4.852,22 3.704,23 3.827,24 5.568,25 3.744,26 4.594,27 4.857,28 3.571,29 3.754,30 5.569,31 3.64,32 4.55,33 4.837,34 3.482,35 3.628,36 5.513,37 3.527,38 4.33,39 4.586,40 3.396,41 3.484,42 5.387,43 3.407,44 4.152,45 4.38,46 3.337,47 3.393,48 5.298,49 3.339,50 4.117,51 4.328,52 3.236,53 3.373,54 5.238,55 3.294,56 0.036,57 0.652,58 8.641,59 3.562,60 10.112,61 4.845,62 0.2,63 1.002,64 16.769,65 5.599,66 16.523,67 7.875,68 0.337,69 1.197,70 22.706,71 7.296,72 28.937,73 10.778,74 0.213,75 1.156,76 22.437,77 7.329,78 37.242,79 11.214,80 0.313,81 1.052,82 22.629,83 6.496,84 40.367,85 10.145,86 0.276,87 0.887,88 17.451,89 4.982,90 33.172,91 7.714,92 0.183,93 0.792,94 13.895,95 3.985,96 29.681,97 6.079,98 0.173,99 0.755,100 13.061,101 4.063,102 26.721,103 6.086,104 3,105 32,106 0.27,107 0.587,108 0.703,109 0.801,110 0.812,111 0.812,112 3.187,113 0.929,114 -3.25,115 -3.23,116 -3.1,121 40.5,127 6,144 6,145 2,148 1,149 1,160 1,168 1,176 7,180 4,183 1,185 1,187 7,191 1,192 6,195 2,197 1,200 6,205 1,206 4,209 1,214 4,218 2,219 5,224 1,227 3,231 1,232 4,235 1,237 2,239 1,243 1,244 2,249 2,255 1,256 3,261 1,268 1,269 3,281 762,282 16.129,283 16.129,284 16.129,285 16.129,286 16.129,287 14.625,288 16.349,289 9.96,290 16.55,291 12.319,292 12.319,293 12.319,294 12.319,295 12.319,296 10.015,297 21.539,298 4.672,299 12.959,300 3.853,301 2.049,302 1.387,303 0.827,304 0.762,305 0.762,306 3.877,310 1,311 1,312 1,313 531,314 2.55,318 245.66,325 1.837,326 17.257,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 49.5,338 247,339 4.379,340 4.071,341 6.279,342 3.958,343 2.982,344 4.055,345 2.035,346 9.528,347 2.912,348 4.022,349 2.982,350 5.979,351 3.613,352 2.639,353 3.538,354 0.86,355 8.484,356 2.572,357 3.523,358 2.884,359 5.339,360 3.429,361 2.512,362 2.634,363 0.8,364 6.964,365 2.299,366 3.396,367 2.67,368 4.529,369 2.807,370 1.829,371 2.52,372 0.4,373 4.667,374 1.787,375 3.257,376 2.177,377 4.341,378 2.627,379 1.679,380 2.241,382 4.163,383 1.587,384 2.686,385 1.879,386 3.676,387 2.399,388 1.507,389 1.73,391 3.214,392 1.339,393 2.644,394 1.728,395 3.514,396 2.172,397 1.204,398 1.548,400 2.731,401 1.161,402 2.545,403 1.299,404 3.336,405 2,406 1,407 1.5,409 2.278,410 1,411 2.5,412 1.256,413 3.247,414 1.952,415 1,416 1.142,418 2.136,419 0.946,420 2.131,421 1.107,422 3.247,423 1.936,424 1,425 1,427 2.136,428 0.93,429 2,430 1,431 2.905,432 1.471,433 0.52,434 0.915,436 0.921,437 0.493,438 1.352,439 0.452,440 2.599,441 1,442 0.064,443 0.078,445 0.126,446 0.059,447 0.82,448 0.01,449 2.444,450 0.552,451 -0.4,452 -0.474,454 -0.906,455 -0.379,456 0.75,457 -0.36,458 2.131,459 0.251,460 -0.724,461 -0.883,463 -1.596,464 -0.707,465 0.548,466 -0.398,467 1.745,468 0.098,469 -0.842,470 -1,472 -1.951,473 -0.79,474 10.833,475 0.471,476 0.307,477 0.013,478 30.5,479 1.326,480 15.5,481 0.674,482 15,483 0.652,484 15.814,485 0.688,486 24.567,487 0.585,488 20.307,489 0.883,490 6.16,491 0.268,492 5.204,493 0.226,494 0.037,496 0.222,501 0.821,502 1.343,503 0.786,504 1.157,505 0.494,506 0.998,507 1.404,508 1.102,509 1.033,510 0.973,511 0.653,512 0.96,513 1.036,514 0.97,515 0.995,516 0.925,517 0.624,518 0.954,519 0.679,520 1.114,521 0.948,522 1.081,523 0.741,524 1.051,525 0.993,526 0.836,527 0.874,528 0.754,529 0.944,530 0.782,531 1.091,532 0.968,533 0.972,534 0.835,535 1.304,536 0.871,537 1.259,538 1.068,539 1.082,540 0.92,541 1.93,542 0.951,543 1.13,544 1.195,545 1.269,546 1.193,547 1.719,548 1.226,549 3,550 0.058,551 2,552 0.813,553 0.676,554 0.604,555 0.384,556 0.153,557 0.106,558 0.114,559 6235,560 15999,561 2.119,562 45.2,564 18,567 1,572 1.653,573 2.06,574 3.404,575 -0.284,576 1,577 1,579 1,582 64.67,583 1.54,584 3.344,585 4.005,586 4.565,587 4.63,588 4.63,589 2.893,590 4.089,591 4.492,592 3.556,593 899.687,594 7.717,595 10572.6,596 1,597 1,599 1,600 226.477,601 0.998,602 4.488,603 0.12,604 0.005,605 0.063,606 0.025,607 0.025,608 0.024,609 0.017,610 0.007,611 0.006,612 0.008,613 0.3,614 0.33,615 1,616 0.59,617 109.446,618 0.05,619 -0.143,620 0.066,621 -0.094,622 0.121,623 -0.025,624 -0.196,625 -0.015,626 -0.089,627 0.015,628 -0.052,629 -0.019,630 -0.007,631 0.034,632 -0.022,633 0.044,634 0.064,635 0.009,636 0.06,637 -0.141,638 0.017,639 -0.11,640 0.139,641 -0.064,642 -0.014,643 0.098,644 0.147,645 0.173,646 0.041,647 0.182,648 -0.017,649 0.034,650 0.028,651 0.089,652 -0.073,653 0.068,654 -0.189,655 0.023,656 -0.116,657 0.001,658 -0.24,659 -0.036,660 -0.127,661 -0.097,662 -0.331,663 -0.244,664 -0.303,665 -0.299,666 1.152,667 3.353,668 0.783,669 21.962,670 1.001,671 1.134,672 2.015,673 4.061,674 0.662,675 3.258,676 3.497,677 3.738,678 3.932,679 4.127,680 4.06,681 4.159,682 4.174,683 4.205,684 4.234,685 6.315,686 0.631,687 309.41,688 3.258,689 4.745,690 5.565,691 6.399,692 7.233,693 8.075,694 8.916,695 9.762,696 10.607,697 11.455,698 11.9,701 1,703 1,707 1,708 2,715 6,716 2,720 4,722 12,724 1,734 1,741 42,743 13,744 1,745 25,747 44,748 17,749 10,750 1,751 5,756 3,757 3,771 1,772 10,773 6,789 1,790 1,793 19,794 6,795 1,796 6,802 5,808 1,809 1,821 1,829 3,855 1,858 1,859 3,868 23,876 6,877 1,878 1,881 1,885 1,889 1,891 1,893 2.4,897 1,901 11.167,902 7.467,903 5.306,904 2.559,907 2.264,908 1.335,909 0.967,910 5.284,911 9.016,912 3.526,913 3.989,914 4.543,915 5.063,916 5.591,917 5.76,918 6.165,919 6.42,920 6.685,921 6.895,922 1,923 32,924 8.455,926 3.463,927 0.026,929 7.681,931 16.309,933 12.978,936 2.181,937 50.167,941 211.88,942 102.523,943 85.52,945 11,948 102.523,949 222.88,950 85.52,952 17.608,953 56.857,954 78.938,955 43.312,956 2.328,957 211.88,959 211.88,960 188.043,961 11,964 211.88,966 11,968 54.548,969 82.158,970 51.337,972 211.88,973 96.52,974 102.523,977 211.88,978 29.063,979 59.982,980 34.612,981 75.385,982 211.88,983 96.52,984 102.523,986 0.554,987 0.326,988 0.178,989 0.095,990 14,991 5,992 0.114,993 5,995 1,996 3.697,997 171.785,999 18,1000 96.042,1005 15.579,1006 7.801,1007 4.115,1009 96.52,1010 11.519,1011 8.407,1015 2.721,1017 18.011,1018 410.923,1019 33,1031 42.022,1032 47.607,1034 0.286,1035 0.62,1036 0.743,1037 0.847,1038 0.859,1039 0.859,1040 4.727,1041 1,1042 5.485,1043 2.731,1044 4.174,1045 4.673,1046 2.488,1047 6.205,1048 4.084,1049 5.876,1050 1,1051 6.978,1052 2.278,1053 3.434,1054 4.111,1055 0.325,1056 6.934,1057 3.319,1058 7.135,1059 1,1060 8.576,1061 2.136,1062 5.666,1063 6.741,1064 3.608,1065 10.013,1066 5.503,1067 8.429,1068 0.52,1069 10.241,1070 2.136,1071 5.832,1072 7.116,1073 0.268,1074 11.632,1075 5.656,1076 9.76,1077 0.064,1078 11.95,1079 0.921,1080 7.437,1081 9.128,1082 4.97,1083 14.169,1084 7.217,1085 11.117,1086 -0.4,1087 13.689,1088 0.126,1089 8.047,1090 9.963,1091 0.188,1092 16.136,1093 7.818,1094 12.494,1095 -0.724,1096 15.449,1097 -0.906,1098 9.362,1099 11.683,1100 6.379,1101 18.483,1102 9.095,1103 2.982,1104 -0.842,1105 17.223,1106 -1.596,1107 10.198,1108 12.764,1109 0.125,1110 20.596,1111 9.922,1112 2.639,1113 9.528,1114 19.007,1115 -1.951,1116 11.377,1117 14.331,1118 7.797,1119 22.873,1120 11.071,1121 2.512,1122 8.484,1123 20.799,1124 4.055,1125 12.329,1126 15.548,1127 0.082,1128 25.051,1129 12.011,1130 1.829,1131 6.964,1132 22.598,1133 3.538,1134 13.447,1135 17.034,1136 9.217,1137 27.302,1138 13.103,1139 1.679,1140 4.667,1141 24.4,1142 2.634,1143 14.459,1144 18.326,1145 0.054,1146 29.512,1147 14.1,1148 1.507,1149 4.163,1150 26.207,1151 2.52,1152 15.55,1153 19.769,1154 10.638,1155 31.754,1156 15.169,1157 1.204,1158 3.214,1159 28.016,1160 2.241,1161 16.593,1162 21.104,1163 0.035,1164 33.98,1165 16.195,1166 5979,1167 9694,1168 17.277,1169 27.813,1170 37.191,1171 38.879,1172 36.545,1173 35.881,1174 35.871,1175 45.803,1176 8.189,1177 94.693,1178 34.171,1179 5.379,1180 6.071,1181 6.081,1182 5.062,1183 4.982,1184 7.055,1185 4.069,1186 15.936,1187 4.912,1188 6.002,1189 1.488,1190 1.555,1191 1.462,1192 1.435,1193 1.435,1194 1.832,1195 0.328,1196 3.788,1197 1.367,1198 3.99,1199 4.028,1200 3.949,1201 3.906,1202 6.82,1203 3.909,1204 3.819,1205 3.879,1206 3.72,1207 3.659,1208 5.026,1209 3.67,1210 3.741,1211 3.786,1212 3.663,1213 3.572,1214 4.698,1215 3.586,1216 3.409,1217 3.482,1218 3.253,1219 3.202,1220 4.627,1221 3.201,1222 3.12,1223 3.206,1224 3.106,1225 2.949,1226 4.182,1227 2.973,1228 3.111,1229 3.18,1230 2.866,1231 2.941,1232 3.843,1233 2.91,1234 2.939,1235 3.019,1236 2.835,1237 2.735,1238 3.798,1239 2.715,1240 2.854,1241 2.925,1242 2.687,1243 2.669,1244 3.674,1245 2.71,1246 0.175,1247 0.163,1248 0.251,1249 0.158,1250 0.119,1251 4.379,1252 0.162,1253 4.071,1254 0.081,1255 6.279,1256 0.381,1257 3.958,1258 0.116,1259 2.982,1260 4.055,1261 2.035,1262 9.528,1263 2.912,1264 1.946,1265 1.918,1266 2.043,1267 2.053,1268 1.263,1269 2.046,1270 1.762,1271 1.707,1272 1.965,1273 1.985,1274 1.117,1275 1.984,1276 1.693,1277 1.646,1278 1.808,1279 1.856,1280 0.981,1281 1.849,1282 1.384,1283 1.311,1284 1.649,1285 1.619,1286 0.825,1287 1.632,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.779,1293 1.429,1294 1.033,1295 0.99,1296 1.181,1297 1.23,1298 0.3,1299 1.195,1300 0.886,1301 0.821,1302 1.171,1303 1.169,1304 0.218,1305 1.15,1306 0.834,1307 0.751,1308 1.093,1309 1.062,1310 0.197,1311 1.107,1312 3.932,1314 5.187,1316 6.655,1318 8.214,1320 9.816,1328 5.102,1329 3.212,1330 5.329,1333 2.328,1338 9.353,1339 2.196,1340 26.509,1341 64.67,1342 140.438,1343 168.213,1344 191.722,1345 194.477,1346 194.477,1347 31.821,1348 6.752,1349 74.07,1350 74.07,1351 18,1352 12.015,1353 3.807,1354 3.17,1355 36.998,1356 86,1357 83,1358 0.207,1359 166.209,1360 286.45,1361 397.309,1362 7371,1364 15.908,1365 0.692,1366 0.561,1367 15.908,1368 12.904,1369 11.365,1370 0.455,1371 0.31,1372 7.612,1373 10.872,1374 7.485,1375 6.173,1376 11.365,1377 7.738,1378 9.335,1379 0.292,1380 0.167,1381 9.335,1382 5.35,1383 7.933,1384 0.193,1385 0.093,1386 7.933,1387 3.808,1388 6.421,1389 0.128,1390 0.05,1391 6.421,1392 2.515,1393 5.157,1394 0.085,1395 0.027,1396 5.157,1397 1.641,1398 0.33,1399 71.515,1400 0.241,1401 23.05,1402 0.553,1403 114,1404 338.649,1405 124.872,1406 329.538,1407 447.42,1408 310,1409 130,1410 322.31,1411 141.9,1412 326.7,1413 469.62,1414 307,1415 4}
{0 CHEMBL15056,1 1.295,2 15.242,3 6.352,4 40.347,5 138.088,6 6.338,7 0.459,8 4.314,9 4.448,10 3.76,11 3.876,12 5.196,13 3.816,14 4.916,15 5.116,16 4.08,17 4.294,18 5.725,19 4.198,20 5.226,21 5.484,22 4.134,23 4.439,24 5.959,25 4.304,26 5.219,27 5.486,28 4.018,29 4.397,30 5.938,31 4.238,32 5.17,33 5.441,34 3.943,35 4.365,36 5.856,37 4.196,38 5.172,39 5.445,40 3.858,41 4.323,42 5.851,43 4.144,44 5.094,45 5.376,46 3.799,47 4.246,48 5.773,49 4.068,50 4.945,51 5.211,52 3.787,53 4.19,54 5.666,55 4.029,56 0.082,57 0.99,58 16.941,59 7.045,60 9.588,61 10.01,62 0.22,63 1.681,64 31.33,65 11.916,66 21.535,67 17.328,68 0.335,69 2.131,70 42.703,71 15.623,72 32.704,73 23.072,74 0.417,75 2.093,76 42.407,77 15.5,78 35.103,79 22.94,80 0.269,81 1.985,82 39.917,83 15.37,84 27.724,85 22.62,86 0.313,87 1.902,88 40.17,89 15.581,90 30.224,91 22.439,92 0.334,93 1.738,94 37.046,95 14.586,96 30.212,97 20.971,98 0.197,99 1.563,100 31.604,101 13.045,102 24.702,103 18.708,105 49,106 0.203,107 0.485,108 0.686,109 0.829,110 0.855,111 0.855,112 3.531,113 1.05,114 -5.41,115 -5.29,116 -4.94,121 41.4,123 9,127 5,144 8,145 3,146 2,148 2,176 15,180 10,185 3,187 16,192 7,197 3,200 10,205 1,206 3,209 1,211 6,214 12,219 1,224 4,227 15,232 5,239 17,244 4,247 1,251 17,256 3,264 18,269 5,274 1,277 18,281 2046,282 23.258,283 23.258,284 23.258,285 23.258,286 23.258,287 21.247,288 27.078,289 14.308,290 23.623,291 18.352,292 18.352,293 18.352,294 18.352,295 18.352,296 15.24,297 29.472,298 6.858,299 18.948,300 4.834,301 3.041,302 1.761,303 0.85,304 0.686,305 0.686,306 4.25,312 1,313 1125,314 3.317,318 476.303,322 279.855,325 2.63,326 15.032,329 0.75,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.94,337 68.5,338 503,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.86,346 11.348,347 3.162,348 4.039,349 2.934,350 5.982,351 3.635,352 2.66,353 3.637,354 0.8,355 8.37,356 2.6,357 3.914,358 2.827,359 5.493,360 3.524,361 2.532,362 3.437,363 0.4,364 7.391,365 2.512,366 3.54,367 2.671,368 5.381,369 3.45,370 2.521,371 2.895,373 6.965,374 2.341,375 3.52,376 2.602,377 5.34,378 3.194,379 2.245,380 2.772,382 6.714,383 2.121,384 3.476,385 2.332,386 5.129,387 3.099,388 2.143,389 2.52,391 6.372,392 2.043,393 2.938,394 1.764,395 4.116,396 2.597,397 1.615,398 2.142,400 3.4,401 1.583,402 2.64,403 1.667,404 3.933,405 2.517,406 1.531,407 1.663,409 3.335,410 1.509,411 2.615,412 1.51,413 3.726,414 2.345,415 1.347,416 1.631,418 3.329,419 1.343,420 2.5,421 1.459,422 3.608,423 2.301,424 1.346,425 1.5,427 2.913,428 1.278,429 2.491,430 1.371,431 3.594,432 2.242,433 1.249,434 1.491,436 2.902,437 1.24,438 2.39,439 1.35,440 3.474,441 2.21,442 1.247,443 1.386,445 2.742,446 1.195,447 2.309,448 1.077,449 3.414,450 2,451 1,452 1.302,454 2.275,455 1,456 2,457 1,458 3.267,459 1.984,460 1,461 1,463 2.136,464 0.983,465 1.899,466 0.893,467 3.247,468 1.703,469 0.722,470 0.825,472 1.732,473 0.706,474 16.033,475 0.486,476 0.479,477 0.015,478 37.75,479 1.144,480 17,481 0.515,482 20.75,483 0.629,484 33.054,485 1.002,486 36.167,487 0.517,488 24.894,489 0.754,490 6.641,491 0.201,492 9.725,493 0.295,496 0.243,501 0.926,502 1.312,503 0.949,504 1.147,505 0.814,506 1.064,507 1.308,508 1.2,509 1.077,510 1.097,511 0.971,512 1.071,513 1.289,514 1.047,515 0.991,516 0.96,517 1.055,518 0.952,519 1.182,520 1.009,521 1.069,522 0.991,523 1.176,524 1.015,525 0.89,526 1.035,527 1.032,528 1.047,529 1.021,530 1.044,531 1.291,532 0.976,533 1.063,534 1.019,535 1.277,536 1.03,537 1.101,538 0.849,539 0.943,540 0.894,541 1.076,542 0.913,543 0.804,544 0.925,545 0.909,546 0.947,547 0.888,548 0.943,549 4,550 0.156,551 2.667,552 1.375,553 1.413,554 0.486,555 0.482,556 0.33,557 0.115,558 0.159,559 19761,560 34575,561 2.207,562 52.9,563 8,564 18,567 1,568 2,569 6,570 2,572 1.745,573 2.176,574 3.793,575 -0.472,582 90.664,583 1.295,584 3.088,585 4.368,586 5.279,587 5.444,588 5.444,589 3.145,590 4.378,591 5.014,592 4.072,593 2149.97,594 8.737,595 35175.8,600 429.05,601 0.799,602 5.02,603 0.108,604 0.007,605 0.054,606 0.027,607 0.033,608 0.012,609 0.013,610 0.009,611 0.003,612 0.005,613 0.273,614 0.33,615 0.88,617 180.726,618 0.046,619 -0.101,620 0.078,621 -0.019,622 0.128,623 0.024,624 -0.075,625 -0.075,626 -0.047,627 -0.058,628 0.071,629 -0.051,630 -0.057,631 -0.018,632 0.022,633 0.019,634 0.06,635 0.025,636 0.004,637 0.013,638 -0.062,639 -0.024,640 -0.034,641 -0.045,642 -0.034,643 -0.029,644 -0.051,645 -0.059,646 -0.074,647 -0.054,648 -0.097,649 -0.019,650 -0.07,651 -0.032,652 -0.146,653 -0.047,654 0.019,655 0.088,656 0.042,657 0.093,658 0.01,659 0.071,660 -0.01,661 0.046,662 0.059,663 0.075,664 0.061,665 0.071,666 0.697,667 2.487,668 0.788,669 41.697,670 0.981,671 1.125,672 4.178,673 17.452,674 0.649,675 3.638,676 3.912,677 4.19,678 4.454,679 4.718,680 4.727,681 4.86,682 4.977,683 5.069,684 5.069,685 9.064,686 0.596,687 443.69,688 3.638,689 5.153,690 5.994,691 6.851,692 7.709,693 8.576,694 9.444,695 10.318,696 11.192,697 12.07,698 4.3,701 1,703 1,708 1,714 2,715 8,716 1,720 5,722 17,734 1,739 1,741 70,743 17,744 2,745 37,747 74,748 29,749 15,750 4,751 8,756 5,757 8,767 7,770 9,772 15,773 14,793 37,794 4,795 1,796 4,802 3,808 0.6,809 1,822 1,829 5,833 2,855 1,859 3,868 33,876 14,877 1,878 1,881 1,893 1.4,898 1,901 15.167,902 12.233,903 7.361,904 4.893,907 3.483,908 1.419,909 1.005,910 7.676,911 11.792,912 3.839,913 4.382,914 4.961,915 5.541,916 6.128,917 6.372,918 6.725,919 7.072,920 7.401,921 7.419,922 0.9,923 50,924 12.293,926 5.154,927 0.026,929 7.308,931 24.961,933 21.234,936 1.808,937 59.667,941 423.76,942 133.481,943 37.921,945 11,948 133.481,949 434.76,950 37.921,952 35.826,953 75.81,954 34.796,955 35.969,957 423.76,959 423.76,960 171.402,961 11,964 329.591,965 105.169,968 43.851,969 92.754,970 34.796,972 423.76,973 48.92,974 133.481,977 423.76,978 57.671,979 78.934,980 18.011,981 27.785,982 423.76,983 48.92,984 133.481,986 0.563,987 0.329,988 0.185,989 0.105,990 23,991 8,992 0.122,993 9,994 2,995 1.154,996 4.742,997 293.355,998 0.154,999 26,1000 155.71,1005 22.528,1006 11.245,1007 5.814,1008 2.369,1009 48.92,1010 17.225,1011 4.953,1015 6.372,1017 18.011,1018 606.161,1019 45.5,1031 68.654,1032 78.763,1034 0.211,1035 0.504,1036 0.713,1037 0.861,1038 0.888,1039 0.888,1040 5.058,1041 1.531,1042 5.927,1043 3.4,1044 4.595,1045 5.069,1046 1.324,1047 6.686,1048 4.535,1049 6.205,1050 1.347,1051 7.439,1052 3.335,1053 3.892,1054 4.745,1055 0.325,1056 7.486,1057 3.793,1058 7.482,1059 1.346,1060 9.058,1061 3.329,1062 6.12,1063 7.233,1064 0.958,1065 10.626,1066 6.003,1067 8.799,1068 1.249,1069 10.746,1070 2.913,1071 6.33,1072 7.852,1073 0.268,1074 12.364,1075 6.182,1076 10.159,1077 1.247,1078 12.483,1079 2.902,1080 7.935,1081 9.767,1082 0.736,1083 15.007,1084 7.772,1085 11.548,1086 1,1087 14.254,1088 2.742,1089 8.608,1090 10.837,1091 0.188,1092 17.14,1093 8.423,1094 12.962,1095 1,1096 16.051,1097 2.275,1098 9.938,1099 12.516,1100 0.57,1101 19.633,1102 9.739,1103 3.226,1104 0.722,1105 17.869,1106 2.136,1107 10.854,1108 13.813,1109 0.125,1110 21.936,1111 10.637,1112 2.66,1113 11.348,1114 19.703,1115 1.732,1116 12.067,1117 15.391,1118 0.439,1119 24.384,1120 11.836,1121 2.532,1122 8.37,1123 21.551,1124 4.564,1125 13.107,1126 16.8,1127 0.082,1128 26.759,1129 12.859,1130 2.521,1131 7.391,1132 23.409,1133 3.637,1134 14.278,1135 18.337,1136 0.334,1137 29.193,1138 14.014,1139 2.245,1140 6.965,1141 25.277,1142 3.437,1143 15.38,1144 19.802,1145 0.054,1146 31.598,1147 15.099,1148 2.143,1149 6.714,1150 27.153,1151 2.895,1152 16.539,1153 21.323,1154 0.252,1155 34.028,1156 16.241,1157 1.615,1158 6.372,1159 29.036,1160 2.772,1161 17.673,1162 22.814,1163 0.035,1164 36.446,1165 17.357,1166 18049,1167 24056,1168 26.118,1169 45.415,1170 53.923,1171 54.455,1172 54.509,1173 53.993,1174 53.981,1175 66.855,1176 4.12,1177 146.635,1178 52.346,1179 5.64,1180 5.361,1181 6.631,1182 5.264,1183 5.226,1184 7.564,1185 1.72,1186 18.879,1187 5.162,1189 1.457,1190 1.472,1191 1.473,1192 1.459,1193 1.459,1194 1.807,1195 0.111,1196 3.963,1197 1.415,1198 4.117,1199 4.148,1200 4.076,1201 4.044,1202 4.975,1203 4.048,1204 3.935,1205 3.969,1206 3.866,1207 3.86,1208 4.843,1209 3.857,1210 3.852,1211 3.914,1212 3.719,1213 3.7,1214 4.415,1215 3.694,1216 3.732,1217 3.781,1218 3.617,1219 3.65,1220 4.382,1221 3.636,1222 3.564,1223 3.627,1224 3.41,1225 3.398,1226 4.299,1227 3.389,1228 3.46,1229 3.536,1230 3.307,1231 3.297,1232 4.17,1233 3.29,1234 3.224,1235 3.281,1236 3.095,1237 3.107,1238 3.974,1239 3.096,1240 3.13,1241 3.206,1242 3,1243 2.964,1244 3.806,1245 2.96,1246 0.125,1247 0.091,1248 0.185,1249 0.114,1250 0.087,1251 4.64,1252 0.123,1253 3.361,1254 0.023,1255 6.829,1256 0.307,1257 4.207,1258 0.085,1259 3.226,1260 4.564,1261 0.86,1262 11.348,1263 3.162,1264 2.072,1265 2.047,1266 2.159,1267 2.163,1268 1.435,1269 2.164,1270 1.915,1271 1.89,1272 2.066,1273 2.035,1274 1.418,1275 2.049,1276 1.835,1277 1.769,1278 2.035,1279 2,1280 1.235,1281 2.013,1282 1.754,1283 1.709,1284 1.949,1285 1.872,1286 1.161,1287 1.902,1288 1.561,1289 1.499,1290 1.833,1291 1.764,1292 1.138,1293 1.789,1294 1.453,1295 1.383,1296 1.696,1297 1.657,1298 0.878,1299 1.676,1300 1.226,1301 1.175,1302 1.513,1303 1.386,1304 0.825,1305 1.429,1306 1.153,1307 1.064,1308 1.46,1309 1.376,1310 0.752,1311 1.405,1312 4.317,1314 5.602,1316 7.098,1318 8.694,1320 10.347,1328 16.41,1329 3.776,1330 5.987,1333 2.575,1340 41.735,1341 90.664,1342 216.179,1343 305.766,1344 369.54,1345 381.05,1346 381.05,1347 44.745,1348 8.308,1349 37.39,1350 37.39,1351 30,1352 12.609,1353 4.17,1354 3.248,1355 48.352,1356 182,1357 188,1358 0.126,1359 252.941,1360 436.43,1361 608.937,1362 62075,1364 22.296,1365 0.676,1366 0.601,1367 22.296,1368 19.821,1369 16.365,1370 0.442,1371 0.35,1372 12.851,1373 15.993,1374 12.607,1375 10.407,1376 16.365,1377 12.952,1378 13.922,1379 0.284,1380 0.195,1381 13.922,1382 9.561,1383 11.957,1384 0.184,1385 0.11,1386 11.957,1387 7.144,1388 10.113,1389 0.119,1390 0.063,1391 10.113,1392 5.32,1393 8.633,1394 0.078,1395 0.036,1396 8.633,1397 3.977,1398 0.208,1399 100.575,1400 0.196,1401 31.753,1402 0.319,1403 172,1404 363.359,1405 181.399,1406 357.365,1407 510.27,1408 342,1409 200,1410 387.074,1411 210.15,1412 393.099,1413 578.83,1414 375,1415 8.585}
{0 CHEMBL150638,1 1.464,2 9.316,3 3.387,4 11.468,5 76.538,6 6.676,7 0.316,8 3.708,9 3.84,10 3.165,11 3.167,12 4.824,13 3.134,14 4.229,15 4.453,16 3.423,17 3.473,18 5.276,19 3.416,20 4.371,21 4.559,22 3.436,23 3.634,24 5.421,25 3.536,26 4.602,27 4.872,28 3.31,29 3.598,30 5.569,31 3.468,32 4.326,33 4.566,34 3.265,35 3.502,36 5.337,37 3.392,38 4.267,39 4.484,40 3.202,41 3.503,42 5.279,43 3.371,44 4.353,45 4.636,46 3.037,47 3.423,48 5.242,49 3.258,50 4.113,51 4.357,52 2.762,53 3.171,54 5.116,55 3.006,56 0.015,57 0.53,58 8.824,59 3.408,60 8.065,61 4.865,62 0.378,63 0.783,64 16.114,65 4.827,66 26.171,67 7.374,68 0.096,69 0.88,70 17.864,71 6.866,72 21.749,73 9.559,74 0.354,75 0.925,76 23.943,77 7.556,78 56.806,79 10.9,80 0.188,81 0.804,82 17.527,83 5.977,84 32.822,85 8.72,86 0.167,87 0.787,88 16.194,89 6.089,90 25.147,91 8.736,92 0.177,93 0.77,94 18.083,95 6.247,96 31.251,97 9.277,98 0.264,99 0.596,100 14.446,101 4.824,102 31.815,103 6.868,104 40,105 24,106 0.267,107 0.592,108 0.755,109 0.83,110 0.83,111 0.83,112 3.008,113 0.967,114 -3.52,115 -3.49,116 -3.34,121 38.5,123 1,126 3,127 2,142 1,143 1,144 4,145 1,146 1,161 1,176 6,179 3,180 4,187 6,192 4,200 3,206 8,214 2,219 5,227 2,231 1,232 5,239 3,251 3,255 2,256 1,264 2,269 1,277 1,281 459,282 12.353,283 12.353,284 12.353,285 12.353,286 12.353,287 11.292,288 16.07,289 7.596,290 12.689,291 9.322,292 9.322,293 9.322,294 9.322,295 9.322,296 7.637,297 16.511,298 3.541,299 9.823,300 3.822,301 2.035,302 1.142,303 0.725,304 0.725,305 0.725,306 3.64,310 1,311 1,312 1,313 341,314 3.873,318 71.873,325 1.596,326 15.19,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 41,338 177,339 4.113,340 3.762,341 5.836,342 3.738,343 2.79,344 3.687,345 2.208,346 8.106,347 2.659,348 3.82,349 2.948,350 5.524,351 3.519,352 2.56,353 3.037,354 1.053,355 7.226,356 2.422,357 3.59,358 2.817,359 5.064,360 3.263,361 2.338,362 2.568,363 0.655,364 6.121,365 2.159,366 3.325,367 2.379,368 4.883,369 2.933,370 1.978,371 2.408,372 0.249,373 5.597,374 1.88,375 3.098,376 1.977,377 3.577,378 2.246,379 1.265,380 1.776,381 0.13,382 2.751,383 1.237,384 2.679,385 1.871,386 3.428,387 2.073,388 1.087,389 1.627,391 2.272,392 1.071,393 2.304,394 1.301,395 3.253,396 1.967,397 1,398 1.192,400 1.974,401 0.949,402 1.735,403 0.694,404 2.709,405 1.475,406 0.494,407 0.576,409 0.972,410 0.484,411 1.18,412 0.611,413 2.414,414 0.742,415 -0.224,416 -0.292,418 -0.557,419 -0.212,420 0.97,421 -0.24,422 2,423 0.461,424 -0.512,425 -0.683,427 -0.843,428 -0.495,429 0.656,430 -0.336,431 1.725,432 0.297,433 -0.669,434 -0.845,436 -1.566,437 -0.643,438 0.484,439 -0.401,440 1.546,441 -0.001,442 -1,443 -1,445 -2,446 -0.9,448 -0.6,449 1.352,450 -0.1,451 -1,452 -1.403,454 -2.581,455 -0.985,456 -0.035,457 -0.953,458 1.275,459 -0.26,460 -1.215,461 -1.461,463 -2.976,464 -1.157,465 -0.248,466 -1.019,467 1.035,468 -0.503,469 -1.466,470 -1.813,471 -0.4,472 -3.942,473 -1.429,474 8.967,475 0.472,476 0.476,477 0.025,478 21.75,479 1.145,480 10,481 0.526,482 11.75,483 0.618,484 13.742,485 0.723,486 21.633,487 0.555,488 15.844,489 0.834,490 4.77,491 0.251,492 4.254,493 0.224,494 0.26,496 0.257,501 0.796,502 1.669,503 0.899,504 1.365,505 0.641,506 1.176,507 0.865,508 0.718,509 0.917,510 0.706,511 0.479,512 0.77,513 1.005,514 1.398,515 1.147,516 1.444,517 0.792,518 1.339,519 1.511,520 0.813,521 0.984,522 0.787,523 1.425,524 0.821,525 1.11,526 1.01,527 1.008,528 0.969,529 1.172,530 0.973,531 0.799,532 1.248,533 1.145,534 1.287,535 0.923,536 1.276,537 0.806,538 0.914,539 0.919,540 0.954,541 0.921,542 0.952,543 1.308,544 0.981,545 1.304,546 1.131,547 1.213,548 1.221,549 4.5,550 0.05,551 1.778,552 0.875,553 0.782,554 0.431,555 0.368,556 0.22,557 0.132,558 0.116,559 2973,560 8283,561 1.854,562 51.3,564 17,565 1,569 2,572 1.6,573 1.701,574 3.23,575 -0.776,577 1,579 1,582 57.089,583 1.464,584 3.251,585 4.144,586 4.561,587 4.561,588 4.561,589 2.746,590 4.143,591 4.215,592 3.367,593 575.722,594 7.168,595 5935.15,596 1,597 1,598 1,599 1,600 206.131,601 1.524,602 4.149,603 0.237,604 0.007,605 0.074,606 0.038,607 0.039,608 0.022,609 0.02,610 0.015,611 0.013,612 0.013,613 0.478,614 0.67,615 1,616 2.203,617 84.462,618 0.014,619 -0.414,620 0.047,621 -0.222,622 -0.028,623 -0.107,624 0.25,625 0.431,626 0.095,627 0.245,628 0.17,629 0.175,630 -0.051,631 -0.327,632 -0.193,633 -0.363,635 -0.306,636 -0.167,637 0.051,638 0.036,639 0.146,640 -0.119,641 0.119,642 -0.117,643 -0.003,644 -0.033,645 0.026,646 -0.129,647 0.011,648 0.009,649 -0.198,650 -0.205,651 -0.235,652 -0.106,653 -0.254,654 -0.023,655 0.007,656 0.031,657 0.012,658 -0.03,659 0.029,660 -0.067,661 -0.033,662 -0.306,663 -0.17,664 -0.158,665 -0.269,666 2.04,667 4.448,668 0.316,669 16.393,670 0.995,671 1.132,672 2.289,673 5.238,674 0.635,675 2.996,676 3.219,677 3.296,678 3.367,679 3.497,680 3.434,681 3.466,682 3.401,683 3.332,684 2.944,685 5.602,686 0.595,687 260.37,688 2.996,689 4.466,690 5.231,691 6.043,692 6.832,693 7.648,694 8.448,695 9.267,696 10.072,697 10.893,698 5.1,701 1,705 1,715 4,720 2,722 6,737 1,741 39,743 8,744 1,745 19,747 39,748 15,749 6,750 2,751 4,756 1,757 1,770 1,771 2,772 7,773 6,777 1,782 1,786 1,789 1,790 1,793 20,794 4,796 4,802 2,808 1,809 2,829 1,836 1,837 1,855 1,859 1,864 3,868 19,876 3,878 1,881 2,885 1,886 1,891 1,893 5.1,896 1,898 1,901 11.167,902 7.9,903 4.444,904 2.114,907 1.425,908 1.248,909 0.895,910 6.241,911 7.171,912 3.258,913 3.651,914 3.975,915 4.371,916 4.778,917 4.779,918 4.945,919 5.111,920 5.073,921 4.696,922 1,923 23,924 6.967,926 2.659,927 0.026,929 7.842,931 13.182,933 9.646,936 2.342,937 44.5,938 0.001,941 235.422,942 125.383,943 6.249,945 36.145,948 125.383,949 271.567,950 6.249,951 25.189,952 9.87,953 37.905,954 25.145,955 22.553,956 58.885,957 223.651,959 235.422,960 131.632,961 36.145,964 211.88,965 59.687,968 12.995,969 101.607,970 17.031,972 235.422,973 42.393,974 125.383,977 235.422,978 21.937,979 69.343,980 17.031,981 59.466,982 235.422,983 42.393,984 125.383,986 0.56,987 0.3,988 0.135,989 0.072,990 8,991 5,992 0.154,993 6,995 1,996 3.108,997 117.993,999 6,1000 78.711,1005 15.395,1006 7.703,1007 5.67,1009 42.393,1010 7.548,1015 1.684,1018 403.199,1019 25,1024 11.448,1028 -0.374,1031 38.811,1032 44.152,1034 0.277,1035 0.615,1036 0.784,1037 0.863,1038 0.863,1039 0.863,1040 4.46,1041 0.494,1042 5.187,1043 1.974,1044 3.892,1045 4.331,1046 2.511,1047 5.861,1048 3.791,1049 5.625,1050 -0.224,1051 6.676,1052 0.972,1053 3.434,1054 3.951,1055 1.905,1056 6.512,1057 3.248,1058 6.881,1059 -0.512,1060 8.258,1061 -0.557,1062 5.361,1063 6.275,1064 3.582,1065 9.469,1066 5.152,1067 8.161,1068 -0.669,1069 9.89,1070 -0.843,1071 5.638,1072 6.626,1073 3.673,1074 10.846,1075 5.337,1076 9.463,1077 -1,1078 11.552,1079 -1.566,1080 7.071,1081 8.498,1082 4.969,1083 13.312,1084 6.755,1085 10.781,1086 -1,1087 13.232,1088 -2,1089 7.689,1090 9.214,1091 5.375,1092 15.014,1093 7.287,1094 12.11,1095 -1.215,1096 14.925,1097 -2.581,1098 8.9,1099 10.871,1100 6.461,1101 17.275,1102 8.482,1103 2.79,1104 -1.466,1105 16.627,1106 -2.976,1107 9.695,1108 11.797,1109 7.029,1110 19.147,1111 9.198,1112 2.56,1113 8.106,1114 18.335,1115 -3.942,1116 10.799,1117 13.332,1118 7.995,1119 21.313,1120 10.28,1121 2.338,1122 7.226,1123 20.05,1124 3.687,1125 11.688,1126 14.387,1127 8.655,1128 23.278,1129 11.099,1130 1.978,1131 6.121,1132 21.769,1133 3.037,1134 12.74,1135 15.845,1136 9.55,1137 25.398,1138 12.124,1139 1.265,1140 5.597,1141 23.492,1142 2.568,1143 13.682,1144 16.984,1145 10.263,1146 27.415,1147 13.003,1148 1.087,1149 2.751,1150 25.219,1151 2.408,1152 14.71,1153 18.392,1154 11.116,1155 29.513,1156 13.998,1157 1,1158 2.272,1159 26.948,1160 1.776,1161 15.681,1162 19.586,1163 11.862,1164 31.559,1165 14.912,1166 3242,1167 5494,1168 11.731,1169 24.773,1170 28.275,1171 28.497,1172 28.128,1173 27.099,1174 27.025,1175 33.74,1176 8.59,1177 70.04,1178 25.717,1179 4.984,1180 5.762,1181 5.61,1182 4.786,1183 4.79,1184 6.687,1185 3.912,1186 14.01,1187 4.659,1188 12.118,1189 1.488,1190 1.5,1191 1.48,1192 1.426,1193 1.422,1194 1.776,1195 0.452,1196 3.686,1197 1.354,1198 3.946,1199 3.974,1200 3.881,1201 3.867,1202 7.433,1203 3.865,1204 3.678,1205 3.745,1206 3.573,1207 3.505,1208 5.43,1209 3.509,1210 3.611,1211 3.679,1212 3.512,1213 3.337,1214 4.812,1215 3.371,1216 3.313,1217 3.369,1218 3.179,1219 3.203,1220 4.3,1221 3.189,1222 3.103,1223 3.187,1224 2.938,1225 2.905,1226 4.206,1227 2.893,1228 3.025,1229 3.056,1230 2.848,1231 2.785,1232 4.057,1233 2.799,1234 2.874,1235 3.009,1236 2.605,1237 2.618,1238 3.747,1239 2.57,1240 2.751,1241 2.817,1242 2.499,1243 2.551,1244 3.467,1245 2.549,1246 0.216,1247 0.198,1248 0.307,1249 0.197,1250 0.147,1251 4.113,1252 0.194,1253 3.762,1254 0.116,1255 5.836,1256 0.427,1257 3.738,1258 0.14,1259 2.79,1260 3.687,1261 2.208,1262 8.106,1263 2.659,1264 1.917,1265 1.892,1266 2.043,1267 2.022,1268 1.251,1269 2.029,1270 1.636,1271 1.573,1272 1.844,1273 1.859,1274 0.975,1275 1.855,1276 1.514,1277 1.44,1278 1.781,1279 1.796,1280 0.834,1281 1.796,1282 1.332,1283 1.278,1284 1.573,1285 1.482,1286 0.714,1287 1.515,1288 1.115,1289 1.025,1290 1.481,1291 1.353,1292 0.495,1293 1.4,1294 0.934,1295 0.897,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.927,1301 0.804,1302 1.14,1303 1.232,1304 0.208,1305 1.187,1306 0.746,1307 0.675,1308 1.069,1309 0.975,1310 0.159,1311 1.014,1312 3.664,1314 4.905,1316 6.319,1318 7.809,1320 9.34,1322 5.289,1328 2.371,1330 5.212,1333 3.464,1337 5.252,1339 2.605,1340 23.214,1341 57.089,1342 126.772,1343 161.601,1344 177.866,1345 177.866,1346 177.866,1347 37.462,1348 5.746,1349 32.78,1350 32.78,1351 6,1352 11.477,1353 3.17,1354 2.807,1355 45.737,1356 63,1357 66,1358 0.362,1359 151.279,1360 268.54,1361 360.88,1362 1811,1364 14.251,1365 0.75,1366 0.617,1367 14.251,1368 11.719,1369 9.024,1370 0.475,1371 0.322,1372 6.012,1373 8.61,1374 5.71,1375 4.885,1376 9.024,1377 6.127,1378 7.827,1379 0.326,1380 0.192,1381 7.827,1382 4.602,1383 5.584,1384 0.215,1385 0.1,1386 5.584,1387 2.612,1388 3.834,1389 0.137,1390 0.054,1391 3.834,1392 1.511,1393 2.825,1394 0.088,1395 0.031,1396 2.825,1397 0.986,1398 0.571,1399 56.979,1400 0.292,1401 19.428,1402 0.972,1403 86,1404 276.761,1405 96.25,1406 266.41,1407 347.18,1408 246,1409 93,1410 239.782,1411 103.143,1412 247.861,1413 347.86,1414 225,1415 6.071}
{0 CHEMBL150985,1 1.602,2 11.391,3 3.484,4 12.136,5 95.976,6 7.565,7 0.48,8 3.878,9 4.007,10 3.463,11 3.393,12 4.901,13 3.363,14 4.434,15 4.628,16 3.788,17 3.766,18 5.388,19 3.71,20 4.658,21 4.886,22 3.807,23 3.899,24 5.577,25 3.793,26 4.672,27 4.939,28 3.577,29 3.819,30 5.501,31 3.675,32 4.622,33 4.917,34 3.479,35 3.69,36 5.421,37 3.554,38 4.44,39 4.706,40 3.501,41 3.581,42 5.322,43 3.458,44 4.332,45 4.591,46 3.446,47 3.515,48 5.209,49 3.401,50 4.25,51 4.481,52 3.342,53 3.491,54 5.153,55 3.357,56 0.036,57 0.654,58 9.308,59 3.927,60 6.784,61 5.386,62 0.208,63 1.012,64 18.989,65 6.31,66 18.072,67 8.869,68 0.36,69 1.19,70 26.565,71 8.213,72 29.334,73 11.739,74 0.241,75 1.173,76 27.12,77 8.172,78 27.923,79 12.298,80 0.314,81 1.076,82 25.392,83 7.421,84 29.393,85 11.336,86 0.309,87 0.906,88 21.39,89 6.379,90 27.553,91 9.556,92 0.233,93 0.817,94 20.051,95 5.675,96 22.266,97 8.465,98 0.174,99 0.775,100 16.497,101 5.538,102 19.229,103 8.026,104 5,105 33,106 0.281,107 0.584,108 0.733,109 0.811,110 0.811,111 0.811,112 3.187,113 0.989,114 -4.33,115 -4.27,116 -4.03,121 38.6,122 1,127 6,144 5,145 2,146 1,148 1,149 1,168 1,176 6,180 3,183 1,185 1,187 8,191 1,192 6,195 2,197 2,200 7,206 5,214 6,218 1,219 3,224 1,227 4,231 1,232 3,235 1,237 2,239 3,244 1,249 2,251 1,255 1,256 2,264 1,268 1,269 4,274 1,281 739,282 15.706,283 15.706,284 15.706,285 15.706,286 15.706,287 14.217,288 16.93,289 9.523,290 16.254,291 12.348,292 12.348,293 12.348,294 12.348,295 12.348,296 10.172,297 21.695,298 4.554,299 13.245,300 3.857,301 2.132,302 1.281,303 0.835,304 0.835,305 0.835,306 3.873,308 1,310 1,311 1,312 1,313 563,314 2.449,318 248.033,325 2.026,326 15.312,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 49.333,338 262,339 4.343,340 3.07,341 6.236,342 3.944,343 2.968,344 4.025,345 0.86,346 9.357,347 2.897,348 4.016,349 2.929,350 5.921,351 3.614,352 2.651,353 3.588,354 0.8,355 8.251,356 2.553,357 3.623,358 2.879,359 5.339,360 3.429,361 2.513,362 2.999,363 0.4,364 6.963,365 2.298,366 3.516,367 2.608,368 5.04,369 3.155,370 2.26,371 2.519,373 6.079,374 1.961,375 2.906,376 2.177,377 4.392,378 2.572,379 1.639,380 2.062,382 4.26,383 1.522,384 2.852,385 1.822,386 4.137,387 2.372,388 1.465,389 1.987,391 3.655,392 1.329,393 2.555,394 1.538,395 3.674,396 2.358,397 1.414,398 1.557,400 3.204,401 1.291,402 2.5,403 1.256,404 3.414,405 2,406 1.034,407 1.5,409 2.315,410 1,411 2.145,412 1.23,413 3.346,414 1.957,415 1,416 1.124,418 2.275,419 0.946,420 2,421 1,422 3.247,423 1.952,424 1,425 1,427 2.136,428 0.946,429 1.433,430 0.513,431 2.802,432 1.199,433 0.247,434 0.279,436 0.579,437 0.231,438 1.093,439 0.309,440 2.552,441 0.691,442 -0.181,443 -0.217,445 -0.406,446 -0.13,447 0.826,448 -0.028,449 2.264,450 0.58,451 -0.355,452 -0.4,454 -0.81,455 -0.324,456 0.64,457 -0.36,458 2,459 0.237,460 -0.694,461 -0.826,463 -1.714,464 -0.628,465 0.5,466 -0.485,467 1.949,468 0.023,469 -0.922,470 -1,472 -2.146,473 -0.835,474 11.148,475 0.485,476 0.452,477 0.02,478 27.5,479 1.196,480 12.5,481 0.543,482 15,483 0.652,484 18.591,485 0.808,486 25.452,487 0.578,488 17.825,489 0.775,490 5.558,491 0.242,492 5.662,493 0.246,494 0.109,496 0.26,501 0.771,502 1.403,503 0.663,504 1.099,505 0.681,506 1.005,507 1.268,508 1.115,509 0.788,510 0.864,511 0.864,512 0.889,513 1.077,514 1.025,515 1.002,516 0.967,517 0.928,518 1.012,519 0.847,520 1.134,521 0.941,522 1.044,523 0.935,524 1.068,525 0.898,526 0.862,527 0.675,528 0.735,529 0.917,530 0.811,531 0.779,532 0.973,533 0.735,534 0.863,535 0.781,536 0.903,537 0.962,538 0.978,539 0.898,540 0.882,541 0.965,542 0.895,543 0.858,544 1.147,545 0.943,546 1.115,547 1.048,548 1.187,549 4,550 0.062,551 2.444,552 0.875,553 0.827,554 0.653,555 0.464,556 0.184,557 0.131,558 0.124,559 6435,560 17271,561 2.093,562 47.7,563 3,564 17,567 1,572 1.65,573 2,574 3.469,575 -0.284,577 1,579 1,582 70.489,583 1.602,584 3.327,585 4.178,586 4.624,587 4.624,588 4.624,589 2.947,590 4.176,591 4.492,592 3.631,593 918.586,594 7.699,595 10901.8,597 1,599 1,600 240.215,601 1.214,602 4.473,603 0.16,604 0.006,605 0.074,606 0.027,607 0.033,608 0.028,609 0.021,610 0.009,611 0.007,612 0.01,613 0.375,614 0.33,615 1,616 0.503,617 110.199,618 0.044,619 -0.147,620 0.039,621 -0.082,622 0.045,623 -0.024,624 -0.147,625 0.009,626 0.011,627 0.086,628 0.011,629 0.05,630 -0.052,631 0.026,632 -0.087,633 -0.01,634 0.016,635 -0.059,636 -0.097,637 -0.128,638 -0.093,639 -0.112,640 -0.067,641 -0.106,642 -0.053,643 0.101,644 0.082,645 0.148,646 -0.045,647 0.128,648 0.123,649 0.014,650 0.102,651 0.059,652 0.108,653 0.049,654 -0.04,655 0.027,656 0.045,657 0.061,658 -0.022,659 0.063,660 -0.025,661 -0.091,662 -0.11,663 -0.158,664 -0.122,665 -0.223,666 0.945,667 1.853,668 0.783,669 22.507,670 1,671 1.134,672 3.105,673 9.639,674 0.663,675 3.258,676 3.526,677 3.738,678 3.912,679 4.127,680 4.078,681 4.127,682 4.159,683 4.22,684 4.277,685 6.594,686 0.622,687 332.87,688 3.258,689 4.762,690 5.58,691 6.418,692 7.251,693 8.093,694 8.932,695 9.778,696 10.62,697 11.468,698 9.1,701 1,703 1,708 2,715 5,716 2,720 5,722 12,734 1,740 1,741 44,743 12,744 1,745 25,747 46,748 17,749 10,750 2,751 4,756 3,757 3,758 1,763 1,772 10,773 7,789 1,790 1,793 21,794 5,795 1,796 6,797 1,802 4,808 1,809 1,821 1,829 3,855 1,858 1,859 3,864 1,865 1,868 23,876 6,877 1,878 1,881 1,892 1,893 2.3,897 1,901 11.5,902 8.076,903 5.139,904 2.677,907 2.179,908 1.321,909 0.969,910 5.572,911 8.967,912 3.466,913 3.989,914 4.494,915 4.989,916 5.535,917 5.696,918 6.018,919 6.314,920 6.614,921 6.838,922 0.875,923 32,924 8.471,926 3.458,927 0.026,929 7.563,931 16.537,933 13.255,936 2.063,937 47.444,940 1,941 235.422,942 88.77,943 54.461,944 39.149,945 11,948 88.77,949 285.571,950 54.461,951 8.825,952 17.608,953 47.381,954 62.337,955 15.753,956 2.328,957 235.422,958 39.149,959 235.422,960 143.232,961 11,962 39.149,964 235.422,966 11,968 32.314,969 59.581,970 90.485,972 235.422,973 65.461,974 127.919,977 235.422,978 32.564,979 59.331,980 18.011,981 83.475,982 235.422,983 65.461,984 127.919,986 0.57,987 0.323,988 0.164,989 0.091,990 15,991 6,992 0.109,993 5,995 1,996 3.7,997 171.165,999 18,1000 96.042,1005 16.342,1006 7.843,1007 4.487,1009 65.461,1010 9.687,1011 8.638,1015 4.533,1017 18.011,1018 428.802,1019 31,1031 44.011,1032 49.883,1034 0.293,1035 0.609,1036 0.765,1037 0.847,1038 0.847,1039 0.847,1040 4.673,1041 1.034,1042 5.525,1043 3.204,1044 4.205,1045 4.673,1046 1.324,1047 6.248,1048 4.081,1049 5.827,1050 1,1051 7.029,1052 2.315,1053 3.611,1054 4.311,1055 0.325,1056 6.969,1057 3.402,1058 7.096,1059 1,1060 8.631,1061 2.275,1062 5.714,1063 6.762,1064 0.958,1065 10.014,1066 5.499,1067 8.398,1068 0.247,1069 10.292,1070 2.136,1071 5.943,1072 7.232,1073 0.268,1074 11.575,1075 5.677,1076 9.735,1077 -0.181,1078 11.991,1079 0.579,1080 7.483,1081 9.154,1082 0.736,1083 14.104,1084 7.202,1085 11.094,1086 -0.355,1087 13.717,1088 -0.406,1089 8.112,1090 10.024,1091 0.188,1092 16.016,1093 7.805,1094 12.472,1095 -0.694,1096 15.462,1097 -0.81,1098 9.395,1099 11.699,1100 0.57,1101 18.355,1102 9.067,1103 2.968,1104 -0.922,1105 17.22,1106 -1.714,1107 10.23,1108 12.784,1109 0.125,1110 20.426,1111 9.887,1112 2.651,1113 9.357,1114 18.989,1115 -2.146,1116 11.391,1117 14.328,1118 0.439,1119 22.691,1120 11.027,1121 2.513,1122 8.251,1123 20.766,1124 4.025,1125 12.336,1126 15.536,1127 0.082,1128 24.838,1129 11.959,1130 2.26,1131 6.963,1132 22.55,1133 3.588,1134 13.441,1135 17.008,1136 0.334,1137 27.075,1138 13.045,1139 1.639,1140 6.079,1141 24.339,1142 2.999,1143 14.444,1144 18.287,1145 0.054,1146 29.26,1147 14.034,1148 1.465,1149 4.26,1150 26.132,1151 2.519,1152 15.526,1153 19.719,1154 0.252,1155 31.486,1156 15.098,1157 1.414,1158 3.655,1159 27.93,1160 2.062,1161 16.561,1162 21.041,1163 0.035,1164 33.691,1165 16.117,1166 6173,1167 10248,1168 16.989,1169 29.188,1170 36.5,1171 36.942,1172 37.017,1173 36.599,1174 36.384,1175 45.281,1176 4.12,1177 98.148,1178 33.945,1179 5.343,1180 5.07,1181 6.038,1182 5.048,1183 4.968,1184 7.025,1185 1.72,1186 15.762,1187 4.897,1188 8.604,1189 1.46,1190 1.478,1191 1.481,1192 1.464,1193 1.455,1194 1.811,1195 0.165,1196 3.926,1197 1.358,1198 3.993,1199 4.03,1200 4.025,1201 3.916,1202 5.057,1203 3.915,1204 3.821,1205 3.879,1206 3.816,1207 3.668,1208 4.897,1209 3.674,1210 3.744,1211 3.788,1212 3.676,1213 3.573,1214 4.627,1215 3.586,1216 3.409,1217 3.483,1218 3.35,1219 3.204,1220 4.313,1221 3.202,1222 3.113,1223 3.206,1224 3.195,1225 2.972,1226 4.152,1227 2.958,1228 3.111,1229 3.198,1230 2.866,1231 2.941,1232 4.024,1233 2.91,1234 2.94,1235 3.02,1236 2.85,1237 2.735,1238 3.794,1239 2.715,1240 2.854,1241 2.925,1242 2.748,1243 2.671,1244 3.674,1245 2.683,1246 0.174,1247 0.123,1248 0.249,1249 0.158,1250 0.119,1251 4.343,1252 0.161,1253 3.07,1254 0.034,1255 6.236,1256 0.374,1257 3.944,1258 0.116,1259 2.968,1260 4.025,1261 0.86,1262 9.357,1263 2.897,1264 1.946,1265 1.921,1266 2.028,1267 2.054,1268 1.263,1269 2.048,1270 1.764,1271 1.712,1272 1.963,1273 1.983,1274 1.134,1275 1.982,1276 1.701,1277 1.651,1278 1.852,1279 1.855,1280 0.997,1281 1.86,1282 1.386,1283 1.312,1284 1.676,1285 1.626,1286 0.899,1287 1.646,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.825,1293 1.429,1294 1.098,1295 1.029,1296 1.382,1297 1.346,1298 0.433,1299 1.369,1300 0.886,1301 0.821,1302 1.181,1303 1.167,1304 0.291,1305 1.162,1306 0.862,1307 0.778,1308 1.137,1309 1.062,1310 0.218,1311 1.107,1312 3.932,1314 5.209,1316 6.686,1318 8.247,1320 9.848,1322 2.047,1323 5.919,1328 5.506,1329 3.371,1330 5.353,1333 2.39,1340 27.369,1341 70.489,1342 146.392,1343 183.85,1344 203.46,1345 203.46,1346 203.46,1347 30.033,1348 6.788,1349 50.28,1350 50.28,1351 18,1352 12.029,1353 3.7,1354 2.807,1355 37.148,1356 91,1357 83,1358 0.199,1359 173.602,1360 295.94,1361 415.349,1362 7841,1363 2.3,1364 16.071,1365 0.699,1366 0.609,1367 16.571,1368 14.013,1369 11.22,1370 0.449,1371 0.33,1372 7.775,1373 10.462,1374 7.551,1375 6.225,1376 11.509,1377 8.242,1378 9.765,1379 0.296,1380 0.184,1381 10.174,1382 6.085,1383 8.027,1384 0.196,1385 0.102,1386 8.315,1387 4.201,1388 6.259,1389 0.128,1390 0.055,1391 6.426,1392 2.705,1393 5.085,1394 0.083,1395 0.03,1396 5.299,1397 1.836,1398 0.32,1399 73.472,1400 0.243,1401 23.201,1402 0.521,1403 116,1404 329.207,1405 141.697,1406 346.5,1407 464.59,1408 326,1409 132,1410 315.764,1411 152.992,1412 328.885,1413 475.42,1414 309,1415 4.469}
{0 CHEMBL151,1 1.492,2 7.952,3 2.067,4 4.272,5 73.823,6 9.234,7 0.522,8 3.609,9 3.652,10 3.306,11 3.142,12 5.021,13 3.192,14 4.001,15 4.047,16 3.713,17 3.51,18 5.452,19 3.562,20 4.317,21 4.391,22 3.832,23 3.607,24 5.837,25 3.664,26 4.348,27 4.457,28 3.754,29 3.492,30 6.001,31 3.534,32 4.188,33 4.328,34 3.423,35 3.341,36 5.587,37 3.347,38 3.959,39 4.094,40 3.334,41 3.172,42 5.514,43 3.186,44 3.823,45 3.935,46 3.203,47 3.011,48 5.437,49 3.047,50 3.73,51 3.858,52 2.965,53 2.774,54 5.347,55 2.804,56 0.264,57 0.367,58 4.259,59 2.882,60 39.787,61 2.181,62 0.289,63 0.557,64 5.424,65 4.425,66 37.374,67 3.825,68 0.674,69 0.733,70 10.53,71 5.793,72 97.302,73 4.664,74 0.966,75 0.745,76 13.679,77 5.992,78 122.095,79 5.748,80 0.724,81 0.645,82 12.944,83 5.25,84 96.667,85 4.893,86 0.546,87 0.519,88 9.622,89 4.253,90 82.388,91 4.432,92 0.455,93 0.444,94 7.626,95 3.574,96 74.481,97 3.263,98 0.463,99 0.397,100 7.668,101 3.203,102 77.653,103 2.921,104 26,105 34,106 0.278,107 0.583,108 0.734,109 0.852,110 0.913,111 0.925,112 3.104,113 0.78,114 -2.22,115 -2.26,116 -2.23,121 48.4,137 1,140 1,144 5,145 2,146 5,159 1,176 3,180 6,185 6,187 7,192 2,196 1,197 4,200 3,205 1,206 5,209 3,210 1,211 5,214 5,219 2,222 1,224 1,227 4,232 1,235 2,237 4,239 3,247 1,249 6,251 2,259 1,261 4,264 1,273 2,274 1,281 490,282 13.671,283 13.671,284 13.671,285 13.671,286 13.671,287 11.777,288 14.993,289 7.73,290 13.889,291 11.317,292 11.317,293 11.317,294 11.317,295 11.317,296 8.411,297 18.103,298 3.667,299 11.739,300 3.462,301 1.83,302 1.02,303 0.387,304 0.065,306 3.777,310 1,311 1,312 1,313 355,314 2.121,318 157.811,322 83.574,325 1.202,326 41.82,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 48,338 167,339 4.556,340 3.643,341 6.759,342 4.177,343 3.199,344 4.225,345 0.86,346 11.007,347 3.129,348 4.278,349 3.109,350 6.193,351 3.861,352 2.889,353 3.936,355 9.2,356 2.803,357 3.9,358 2.962,359 5.801,360 3.471,361 2.522,362 3.325,364 7.739,365 2.387,366 3.618,367 2.808,368 5.241,369 3.24,370 2.257,371 2.95,373 6.463,374 2.204,375 3.279,376 2.306,377 5.054,378 2.874,379 1.94,380 2.532,382 5.8,383 1.798,384 3.122,385 2.245,386 4.673,387 2.688,388 1.703,389 2.278,391 4.749,392 1.657,393 2.823,394 1.724,395 4.294,396 2.372,397 1.414,398 1.951,400 3.749,401 1.347,402 2.762,403 1.533,404 4.031,405 2.244,406 1.292,407 1.762,409 3.484,410 1.216,411 1.403,412 0.79,413 3.019,414 1.061,415 0.142,416 0.169,418 0.326,419 0.129,420 1.38,421 0.489,422 2.822,423 0.88,424 -0.077,425 -0.095,427 -0.203,428 -0.072,429 1.18,430 0.174,431 2.543,432 0.778,433 -0.186,434 -0.258,436 -0.515,437 -0.177,438 0.838,439 -0.07,440 2.492,441 0.439,442 -0.522,443 -0.649,445 -1.279,446 -0.477,447 0.721,448 -0.226,449 2.373,450 0.324,451 -0.608,452 -0.781,454 -1.582,455 -0.571,456 0.33,457 -0.422,458 2,459 0.074,460 -0.845,461 -1.001,463 -2.251,464 -0.769,465 0.128,466 -0.814,467 1.674,468 -0.235,469 -1.183,470 -1.451,472 -3.22,473 -1.11,474 9.5,475 0.452,476 0.72,477 0.034,478 30.75,479 1.464,480 17.5,481 0.833,482 13.25,483 0.631,484 12.208,485 0.581,486 22.3,487 0.719,488 23.325,489 1.111,490 6.312,491 0.301,492 3.641,493 0.173,494 0.175,496 0.474,501 1.009,502 0.765,503 0.74,504 0.734,505 0.995,506 0.648,507 0.758,508 1.164,509 0.607,510 1.132,511 0.635,512 0.905,513 1.123,514 1.129,515 0.993,516 1.11,517 1.014,518 1.028,519 0.851,520 1.01,521 0.951,522 1.02,523 0.81,524 1.03,525 1.142,526 0.871,527 1.176,528 0.883,529 1.135,530 0.994,531 0.765,532 0.968,533 0.868,534 0.977,535 0.886,536 0.974,537 1.046,538 1.134,539 1.057,540 1.133,541 1.117,542 1.111,543 1.186,544 1.204,545 1.251,546 1.213,547 1.288,548 1.247,549 5.5,550 0.012,551 2.889,552 2.063,553 1.702,554 0.819,555 0.507,556 0.311,557 0.197,558 0.117,559 3919,560 15355,561 2.018,562 32.3,564 6,567 4,572 1.634,573 1.826,574 2.997,575 1.921,577 1,579 1,582 46.248,583 1.492,584 3.124,585 3.935,586 4.567,587 4.89,588 4.954,589 2.47,590 4.297,591 4.366,592 3.119,593 655.079,594 7.493,595 6713.87,596 1,597 1,599 1,600 153.58,601 1.545,602 4.289,603 0.239,604 0.004,605 0.085,606 0.057,607 0.055,608 0.036,609 0.024,610 0.017,611 0.015,612 0.015,613 0.547,614 0.5,615 1,616 0.702,617 93,618 -0.222,619 0.236,620 -0.092,621 0.243,622 -0.253,623 0.171,624 -0.064,625 -0.174,626 0.03,627 -0.158,628 -0.01,629 -0.063,630 -0.165,631 -0.156,632 -0.163,633 -0.156,634 -0.133,635 -0.157,636 0.188,637 -0.046,638 0.041,639 -0.061,640 0.144,641 -0.074,642 -0.168,643 0.094,644 -0.141,645 0.091,646 -0.184,647 0.021,648 0.118,649 -0.002,650 0.128,651 0.003,652 0.083,653 0.049,654 -0.077,655 -0.171,656 -0.1,657 -0.172,658 -0.03,659 -0.155,660 -0.118,661 -0.252,662 -0.194,663 -0.26,664 -0.112,665 -0.262,666 2.156,667 5.043,668 0.762,669 13.873,670 1.045,671 1.107,672 0.992,673 0.984,674 0.695,675 3.178,676 3.555,677 3.829,678 4.111,679 4.344,680 4.466,681 4.5,682 4.615,683 4.71,684 4.654,685 4.866,686 0.707,687 286.25,688 3.178,689 4.745,690 5.609,691 6.512,692 7.392,693 8.298,694 9.183,695 10.091,696 10.979,697 11.888,715 5,720 7,722 12,727 1,738 4,739 1,741 31,743 14,744 2,745 23,747 33,748 15,749 12,750 7,751 5,752 3,756 3,757 4,772 15,777 2,782 1,784 1,786 2,789 1,790 1,793 10,794 6,795 4,796 6,808 0.667,809 6,829 3,833 1,849 2,859 2,868 21,875 4,878 1,893 19.4,895 4,896 1,898 1,901 11.5,902 5.383,903 4.472,904 1.582,907 2.695,908 1.391,909 0.888,910 3.176,911 9.581,912 3.466,913 4.127,914 4.714,915 5.288,916 5.82,917 6.119,918 6.365,919 6.756,920 7.127,921 7.379,922 1,923 36,924 7.779,926 3.558,927 0.026,929 8.429,931 13.759,933 11.363,936 2.929,937 61.5,941 70.627,942 78.849,945 206.878,948 78.849,949 277.505,953 56.857,954 206.255,955 22.614,957 70.627,959 70.627,960 78.849,961 206.878,964 70.627,965 206.878,969 64.129,970 14.72,972 70.627,973 206.878,974 78.849,977 70.627,978 21.991,979 56.857,981 206.878,982 70.627,983 206.878,984 78.849,986 0.602,987 0.355,988 0.188,989 0.101,990 18,991 9,992 0.03,993 1,994 1,995 1.125,996 3.189,997 167.672,998 0.125,999 16,1000 92.239,1005 13.637,1006 4.891,1007 2.381,1009 206.878,1010 6.213,1015 -0.923,1017 170.733,1018 356.354,1019 31,1024 12.043,1026 1.158,1028 -0.357,1031 32.382,1032 34.332,1034 0.301,1035 0.631,1036 0.794,1037 0.922,1038 0.987,1039 1,1040 4.727,1041 1.292,1042 5.638,1043 3.749,1044 4.234,1045 4.812,1046 0.908,1047 6.491,1048 4.163,1049 5.983,1050 0.142,1051 7.232,1052 3.484,1053 4.007,1054 4.783,1056 7.448,1057 3.892,1058 7.322,1059 -0.077,1060 8.92,1061 0.326,1062 5.878,1063 7.055,1064 0.739,1065 10.555,1066 5.753,1067 8.691,1068 -0.186,1069 10.659,1070 -0.203,1071 6.382,1072 7.748,1074 12.298,1075 6.218,1076 10.084,1077 -0.522,1078 12.43,1079 -0.515,1080 7.797,1081 9.556,1082 0.593,1083 14.945,1084 7.625,1085 11.497,1086 -0.608,1087 14.225,1088 -1.279,1089 8.641,1090 10.599,1092 17.043,1093 8.436,1094 12.925,1095 -0.845,1096 16.037,1097 -1.582,1098 9.88,1099 12.205,1100 0.469,1101 19.519,1102 9.663,1103 3.199,1104 -1.183,1105 17.864,1106 -2.251,1107 10.883,1108 13.429,1110 21.778,1111 10.638,1112 2.889,1113 11.007,1114 19.701,1115 -3.22,1116 12.055,1117 14.94,1118 0.366,1119 24.192,1120 11.795,1121 2.522,1122 9.2,1123 21.549,1124 4.225,1125 13.132,1126 16.257,1128 26.522,1129 12.848,1130 2.257,1131 7.739,1132 23.404,1133 3.936,1134 14.281,1135 17.723,1136 0.283,1137 28.916,1138 13.98,1139 1.94,1140 6.463,1141 25.266,1142 3.325,1143 15.393,1144 19.089,1146 31.279,1147 15.07,1148 1.703,1149 5.8,1150 27.134,1151 2.95,1152 16.536,1153 20.533,1154 0.217,1155 33.669,1156 16.194,1157 1.414,1158 4.749,1159 29.007,1160 2.532,1161 17.666,1162 21.927,1164 36.047,1165 17.303,1166 3893,1167 7784,1168 14.74,1169 21.534,1170 35.284,1171 36.645,1172 36.911,1173 34.759,1174 34.72,1175 46.254,1176 1.72,1177 105.035,1178 33.341,1179 5.413,1180 5.643,1181 6.057,1182 5.274,1183 5.199,1184 7.225,1185 1.72,1186 17.987,1187 5.129,1188 12.336,1189 1.534,1190 1.593,1191 1.605,1192 1.511,1193 1.51,1194 2.011,1195 0.075,1196 4.567,1197 1.45,1198 4.025,1199 4.027,1200 3.997,1201 3.936,1202 7.428,1203 3.949,1204 3.863,1205 3.873,1206 3.822,1207 3.787,1208 6.531,1209 3.793,1210 3.465,1211 3.469,1212 3.417,1213 3.327,1214 6.491,1215 3.345,1216 3.068,1217 3.061,1218 3.024,1219 2.857,1220 6.445,1221 2.892,1222 2.935,1223 2.97,1224 2.829,1225 2.746,1226 6.402,1227 2.75,1228 2.891,1229 2.913,1230 2.782,1231 2.709,1232 4.809,1233 2.723,1234 2.731,1235 2.737,1236 2.659,1237 2.48,1238 4.444,1239 2.505,1240 2.539,1241 2.541,1242 2.429,1243 2.137,1244 4.064,1245 2.224,1246 0.198,1247 0.158,1248 0.294,1249 0.182,1250 0.139,1251 4.556,1252 0.184,1253 3.643,1254 0.037,1255 6.759,1256 0.479,1257 4.177,1258 0.136,1259 3.199,1260 4.225,1261 0.86,1262 11.007,1263 3.129,1264 1.956,1265 1.952,1266 2.017,1267 2.062,1268 1.129,1269 2.044,1270 1.835,1271 1.824,1272 1.912,1273 1.936,1274 1.02,1275 1.927,1276 1.396,1277 1.387,1278 1.507,1279 1.568,1280 0.55,1281 1.542,1282 0.938,1283 0.936,1284 1.14,1285 1.216,1286 0.162,1287 1.163,1288 0.883,1289 0.839,1290 1.091,1291 1.139,1292 0.096,1293 1.13,1294 0.815,1295 0.791,1296 1.001,1297 1.079,1298 0.024,1299 1.048,1300 0.602,1301 0.578,1302 0.847,1303 0.932,1305 0.893,1306 0.298,1307 0.307,1308 0.62,1309 0.781,1311 0.719,1312 3.85,1314 5.209,1316 6.767,1318 8.421,1320 10.125,1327 37.894,1330 5.472,1340 21.923,1341 46.248,1342 96.851,1343 121.97,1344 141.58,1345 151.58,1346 153.58,1347 52.65,1348 6.887,1349 111.13,1350 111.13,1351 18,1352 12.408,1353 3.907,1354 3.17,1355 32.088,1356 62,1357 59,1358 0.267,1359 133.034,1360 240.8,1361 316.362,1362 7625,1364 15.146,1365 0.721,1366 0.503,1367 15.146,1368 10.569,1369 9.952,1370 0.433,1371 0.26,1372 5.874,1373 9.494,1374 5.798,1375 4.754,1376 9.952,1377 5.977,1378 9.628,1379 0.283,1380 0.133,1381 9.628,1382 4.516,1383 7.923,1384 0.176,1385 0.068,1386 7.923,1387 3.055,1388 6.827,1389 0.114,1390 0.035,1391 6.827,1392 2.073,1393 5.166,1394 0.068,1395 0.018,1396 5.166,1397 1.359,1398 0.404,1399 63.418,1400 0.26,1401 20.321,1402 0.78,1403 114,1404 426.07,1405 128.726,1406 403.319,1407 532.42,1408 370,1409 136,1410 384.03,1411 150.396,1412 383.932,1413 562.61,1414 361,1415 4.182}
{0 CHEMBL151125,1 1.355,2 11.48,3 5.622,4 31.61,5 101.97,6 6.228,7 0.231,8 4.046,9 4.184,10 3.451,11 3.542,12 5.03,13 3.484,14 4.634,15 4.853,16 3.761,17 3.922,18 5.533,19 3.828,20 4.917,21 5.158,22 3.827,23 4.118,24 5.744,25 3.988,26 5.073,27 5.344,28 3.784,29 4.129,30 5.937,31 3.975,32 5.011,33 5.288,34 3.726,35 4.035,36 5.936,37 3.896,38 4.798,39 5.032,40 3.635,41 3.943,42 5.786,43 3.81,44 4.76,45 5.022,46 3.495,47 3.883,48 5.633,49 3.732,50 4.615,51 4.855,52 3.405,53 3.797,54 5.52,55 3.637,56 0.051,57 0.75,58 13.262,59 5.308,60 10.331,61 7.622,62 0.396,63 1.205,64 24.243,65 8.337,66 29.392,67 12.55,68 0.243,69 1.502,70 31.566,71 11.371,72 29.949,73 16.773,74 0.366,75 1.584,76 36.949,77 12.721,78 49.543,79 18.653,80 0.421,81 1.443,82 34.974,83 11.494,84 59.878,85 16.833,86 0.344,87 1.244,88 28.356,89 10.076,90 48.974,91 14.376,92 0.298,93 1.178,94 26.946,95 9.656,96 42.759,97 13.921,98 0.275,99 1.067,100 23.246,101 8.846,102 34.363,103 12.607,104 31,105 34,106 0.228,107 0.52,108 0.744,109 0.831,110 0.848,111 0.848,112 3.266,113 1.059,114 -4.54,115 -4.46,116 -4.2,121 38.2,122 1,123 6,126 2,127 1,129 2,142 1,143 1,144 4,145 1,146 1,161 1,176 10,179 3,180 7,187 11,192 6,200 6,206 13,214 5,219 9,227 4,231 1,232 8,239 8,251 11,255 2,256 3,264 12,269 1,277 7,281 965,282 16.629,283 16.629,284 16.629,285 16.629,286 16.629,287 15.568,288 20.813,289 10.117,290 16.962,291 12.768,292 12.768,293 12.768,294 12.768,295 12.768,296 11.103,297 25.836,298 4.724,299 13.281,300 4.426,301 2.686,302 1.35,303 0.832,304 0.732,305 0.732,306 3.927,312 1,313 584,314 4.183,318 190.328,325 1.821,326 18.828,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 53,338 287,339 4.15,340 3.801,341 6.339,342 3.893,343 2.954,344 3.693,345 2.208,346 9.432,347 2.771,348 3.984,349 3.127,350 5.932,351 3.762,352 2.799,353 3.162,354 1.053,355 8.308,356 2.7,357 3.738,358 2.864,359 5.58,360 3.52,361 2.573,362 2.78,363 0.655,364 7.529,365 2.429,366 3.454,367 2.683,368 5.15,369 3.155,370 2.185,371 2.527,372 0.249,373 6.23,374 2.101,375 3.324,376 2.385,377 4.825,378 2.877,379 1.903,380 2.255,381 0.13,382 5.238,383 1.843,384 3.144,385 2.055,386 3.94,387 2.441,388 1.46,389 1.887,391 3.285,392 1.426,393 2.677,394 1.73,395 3.764,396 2.365,397 1.376,398 1.729,400 3.098,401 1.356,402 2.513,403 1.314,404 3.487,405 2.17,406 1.175,407 1.488,409 2.579,410 1.167,411 2.175,412 1.041,413 3.257,414 2,415 1,416 1,418 2.136,419 1,420 2,421 1.038,422 3.247,423 1.719,424 0.749,425 0.959,427 1.553,428 0.725,429 1.759,430 1,431 2.918,432 1.599,433 0.642,434 0.687,436 1.258,437 0.606,438 1.188,439 0.653,440 2.546,441 0.788,442 -0.2,443 -0.246,445 -0.48,446 -0.195,447 1.027,448 0.003,449 2.325,450 0.711,451 -0.264,452 -0.323,454 -0.684,455 -0.255,456 0.839,457 -0.303,458 1.915,459 0.365,460 -0.593,461 -0.753,463 -0.919,464 -0.565,465 0.483,466 -0.371,467 1.753,468 0.225,469 -0.75,470 -0.826,472 -1.609,473 -0.727,474 11.967,475 0.479,476 0.579,477 0.023,478 25.25,479 1.01,480 10,481 0.4,482 15.25,483 0.61,484 25.205,485 1.008,486 28.833,487 0.524,488 18.326,489 0.733,490 4.692,491 0.188,492 7.315,493 0.293,494 0.195,496 0.276,501 0.78,502 1.553,503 0.975,504 1.33,505 0.623,506 1.194,507 0.755,508 1.061,509 0.988,510 0.996,511 0.432,512 0.999,513 1.002,514 1.172,515 1.065,516 1.152,517 0.663,518 1.113,519 1.304,520 1.027,521 1.012,522 1.011,523 1.172,524 0.987,525 1.624,526 0.834,527 0.976,528 0.814,529 1.663,530 0.827,531 1.51,532 1.082,533 1.152,534 1.096,535 1.728,536 1.097,537 1.416,538 0.882,539 1.068,540 0.911,541 1.342,542 0.952,543 1.03,544 1.09,545 1.152,546 1.168,547 0.955,548 1.183,549 5,550 0.12,551 2.667,552 1.813,553 1.133,554 0.694,555 0.468,556 0.262,557 0.213,558 0.157,559 6930,560 14456,561 1.95,562 54.5,563 6,564 14,565 1,569 9,572 1.678,573 1.807,574 3.506,575 -0.83,582 74.529,583 1.355,584 3.096,585 4.432,586 4.949,587 5.049,588 5.049,589 2.953,590 4.294,591 4.614,592 3.635,593 1090.64,594 7.971,595 13710.6,600 317.975,601 1.469,602 4.56,603 0.192,604 0.008,605 0.078,606 0.052,607 0.035,608 0.022,609 0.017,610 0.01,611 0.01,612 0.008,613 0.433,614 0.33,615 1,616 1.579,617 122.602,618 0.038,619 -0.267,620 0.055,621 -0.127,622 0.014,623 -0.051,624 0.288,625 0.102,626 0.044,627 0.037,628 0.182,629 0.021,630 -0.041,631 -0.101,632 -0.066,633 -0.126,634 0.029,635 -0.099,636 -0.063,637 -0.074,638 -0.007,639 -0.047,640 -0.022,641 -0.024,642 -0.127,643 0.092,644 0.055,645 0.118,646 -0.131,647 0.108,648 -0.074,649 -0.08,650 -0.117,651 -0.085,652 -0.182,653 -0.106,654 -0.16,655 0.087,656 -0.059,657 0.077,658 -0.144,659 0.027,660 0.02,661 -0.069,662 -0.158,663 -0.132,664 -0.034,665 -0.167,666 1.929,667 5.412,668 0.48,669 23.744,670 0.986,671 1.131,672 3.31,673 10.954,674 0.629,675 3.296,676 3.555,677 3.738,678 3.871,679 3.989,680 3.912,681 3.97,682 4.007,683 3.97,684 3.932,685 6.654,686 0.579,687 342.53,688 3.296,689 4.796,690 5.602,691 6.438,692 7.261,693 8.101,694 8.929,695 9.772,696 10.603,697 11.446,698 3.6,701 1,705 1,715 4,720 2,722 6,737 1,741 55,743 8,744 1,745 26,747 56,748 21,749 6,750 2,751 4,756 2,757 2,763 1,767 6,770 8,771 2,772 7,773 12,777 1,782 1,786 1,793 30,794 4,796 4,802 2,808 1,809 2,829 2,836 1,837 1,855 1,859 2,864 3,868 25,876 7,878 1,880 2,881 2,885 1,886 1,891 1,893 3.6,896 1,898 1,901 13.833,902 10.567,903 5.75,904 3.531,907 1.327,908 1.203,909 0.909,910 7.648,911 7.877,912 3.497,913 3.882,914 4.223,915 4.616,916 4.986,917 4.997,918 5.192,919 5.455,920 5.433,921 5.447,922 0.875,923 35,924 9.28,926 3.724,927 0.026,929 7.627,931 18.18,933 14.527,936 2.127,937 53.167,941 353.133,942 136.379,943 6.249,945 36.145,948 136.379,949 389.278,950 6.249,951 25.618,952 20.437,953 37.905,954 25.145,955 22.553,956 58.885,957 341.362,959 353.133,960 142.628,961 36.145,964 247.193,965 142.085,968 32.387,969 93.21,970 17.031,972 353.133,973 42.393,974 136.379,977 353.133,978 32.504,979 69.772,980 17.031,981 59.466,982 353.133,983 42.393,984 136.379,986 0.566,987 0.326,988 0.163,989 0.083,990 13,991 7,992 0.125,993 7,995 1,996 3.687,997 186.336,999 12,1000 112.096,1005 19.66,1006 9.726,1007 5.971,1009 42.393,1010 7.785,1015 1.749,1018 531.906,1019 32,1024 12.412,1028 -0.262,1031 54.229,1032 62.228,1034 0.234,1035 0.535,1036 0.767,1037 0.856,1038 0.873,1039 0.873,1040 4.732,1041 1.175,1042 5.565,1043 3.098,1044 4.234,1045 4.564,1046 2.511,1047 6.301,1048 4.154,1049 5.876,1050 1,1051 7.088,1052 2.579,1053 3.761,1054 4.159,1055 1.905,1056 7.06,1057 3.598,1058 7.133,1059 0.749,1060 8.712,1061 2.136,1062 5.759,1063 6.454,1064 3.582,1065 10.117,1066 5.58,1067 8.413,1068 0.642,1069 10.393,1070 1.553,1071 6.089,1072 6.819,1073 3.673,1074 11.666,1075 5.812,1076 9.722,1077 -0.2,1078 12.111,1079 1.258,1080 7.555,1081 8.64,1082 4.969,1083 14.227,1084 7.269,1085 11.047,1086 -0.264,1087 13.852,1088 -0.48,1089 8.256,1090 9.376,1091 5.375,1092 16.113,1093 7.872,1094 12.386,1095 -0.593,1096 15.611,1097 -0.684,1098 9.495,1099 10.99,1100 6.461,1101 18.482,1102 9.095,1103 2.954,1104 -0.75,1105 17.382,1106 -0.919,1107 10.376,1108 11.93,1109 7.029,1110 20.532,1111 9.887,1112 2.799,1113 9.432,1114 19.163,1115 -1.609,1116 11.513,1117 13.433,1118 7.995,1119 22.819,1120 10.997,1121 2.573,1122 8.308,1123 20.951,1124 3.693,1125 12.483,1126 14.497,1127 8.655,1128 24.953,1129 11.887,1130 2.185,1131 7.529,1132 22.746,1133 3.162,1134 13.575,1135 15.933,1136 9.55,1137 27.206,1138 12.943,1139 1.903,1140 6.23,1141 24.546,1142 2.78,1143 14.59,1144 17.076,1145 10.263,1146 29.383,1147 13.885,1148 1.46,1149 5.238,1150 26.35,1151 2.527,1152 15.664,1153 18.469,1154 11.116,1155 31.622,1156 14.914,1157 1.376,1158 3.285,1159 28.158,1160 2.255,1161 16.702,1162 19.665,1163 11.862,1164 33.825,1165 15.884,1166 7053,1167 10303,1168 16.701,1169 34.58,1170 38.76,1171 39.372,1172 39.338,1173 37.679,1174 37.634,1175 44.334,1176 8.59,1177 101.292,1178 36.249,1179 5.15,1180 5.801,1181 6.141,1182 4.972,1183 4.954,1184 6.693,1185 3.912,1186 16.164,1187 4.771,1188 14.277,1189 1.491,1190 1.514,1191 1.513,1192 1.449,1193 1.447,1194 1.705,1195 0.33,1196 3.896,1197 1.394,1198 3.968,1199 4.004,1200 3.898,1201 3.879,1202 7.433,1203 3.878,1204 3.872,1205 3.926,1206 3.75,1207 3.753,1208 5.43,1209 3.742,1210 3.708,1211 3.769,1212 3.601,1213 3.547,1214 4.813,1215 3.55,1216 3.498,1217 3.553,1218 3.401,1219 3.29,1220 4.336,1221 3.291,1222 3.376,1223 3.437,1224 3.241,1225 3.229,1226 4.287,1227 3.242,1228 3.111,1229 3.206,1230 2.938,1231 2.941,1232 4.146,1233 2.91,1234 3.105,1235 3.197,1236 2.866,1237 2.906,1238 3.911,1239 2.895,1240 3.054,1241 3.098,1242 2.86,1243 2.825,1244 3.81,1245 2.829,1246 0.16,1247 0.146,1248 0.244,1249 0.15,1250 0.114,1251 4.15,1252 0.142,1253 3.801,1254 0.085,1255 6.339,1256 0.363,1257 3.893,1258 0.107,1259 2.954,1260 3.693,1261 2.208,1262 9.432,1263 2.771,1264 1.926,1265 1.9,1266 2.096,1267 2.05,1268 1.483,1269 2.063,1270 1.874,1271 1.818,1272 2.053,1273 2.016,1274 1.289,1275 2.033,1276 1.674,1277 1.614,1278 1.875,1279 1.866,1280 1.006,1281 1.872,1282 1.421,1283 1.367,1284 1.68,1285 1.688,1286 0.878,1287 1.685,1288 1.392,1289 1.328,1290 1.655,1291 1.558,1292 0.825,1293 1.595,1294 1.153,1295 1.064,1296 1.513,1297 1.376,1298 0.753,1299 1.429,1300 1.123,1301 1.027,1302 1.489,1303 1.363,1304 0.597,1305 1.411,1306 1.013,1307 0.947,1308 1.396,1309 1.267,1310 0.497,1311 1.305,1312 3.97,1314 5.242,1316 6.703,1318 8.244,1320 9.824,1322 6.013,1328 7.3,1330 5.601,1332 0.633,1333 3.894,1337 5.376,1339 2.666,1340 31.848,1341 74.529,1342 170.269,1343 243.736,1344 272.2,1345 277.71,1346 277.71,1347 54.715,1348 6.55,1349 32.78,1350 32.78,1351 12,1352 12.012,1353 3.17,1354 2.807,1355 51.785,1356 99,1357 104,1358 0.253,1359 201.44,1360 359.98,1361 483.272,1362 5580,1364 18.234,1365 0.729,1366 0.628,1367 18.234,1368 15.702,1369 12.007,1370 0.462,1371 0.353,1372 9.075,1373 11.606,1374 8.728,1375 7.363,1376 12.007,1377 9.182,1378 10.348,1379 0.304,1380 0.209,1381 10.348,1382 7.09,1383 8.308,1384 0.203,1385 0.125,1386 8.308,1387 5.138,1388 6.193,1389 0.132,1390 0.071,1391 6.193,1392 3.323,1393 4.523,1394 0.085,1395 0.042,1396 4.523,1397 2.21,1398 0.403,1399 74.719,1400 0.245,1401 24.653,1402 0.677,1403 120,1404 310.761,1405 131.249,1406 300.86,1407 402.68,1408 280,1409 135,1410 288.839,1411 145.976,1412 295.361,1413 422.07,1414 273,1415 5.062}
{0 CHEMBL151194,1 1.465,2 8.412,3 2.099,4 4.406,5 68.161,6 6.388,7 0.353,8 3.657,9 3.799,10 3.062,11 3.1,12 4.719,13 3.06,14 4.186,15 4.403,16 3.323,17 3.425,18 5.218,19 3.342,20 4.388,21 4.63,22 3.345,23 3.521,24 5.336,25 3.419,26 4.437,27 4.683,28 3.278,29 3.436,30 5.478,31 3.348,32 4.288,33 4.513,34 3.182,35 3.348,36 5.394,37 3.262,38 4.244,39 4.492,40 3.007,41 3.276,42 5.277,43 3.151,44 4.081,45 4.343,46 2.761,47 3.181,48 4.97,49 3.022,50 3.98,51 4.245,52 2.566,53 3.086,54 4.942,55 2.88,56 0.031,57 0.5,58 8.845,59 3.308,60 7.304,61 4.811,62 0.325,63 0.721,64 15.503,65 5.109,66 26.224,67 7.662,68 0.15,69 0.803,70 18.705,71 6.237,72 22.951,73 9.263,74 0.306,75 0.756,76 20.265,77 5.754,78 44.116,79 8.617,80 0.25,81 0.691,82 17.443,83 5.01,84 38.133,85 7.516,86 0.292,87 0.639,88 16.554,89 4.948,90 39.801,91 7.42,92 0.173,93 0.576,94 13.698,95 4.479,96 24.269,97 6.773,98 0.175,99 0.527,100 12.214,101 4.374,102 30.245,103 6.511,104 28,105 21,106 0.273,107 0.603,108 0.813,109 0.874,110 0.874,111 0.874,112 2.906,113 1.039,114 -3.08,115 -3.08,116 -2.97,121 35.1,122 1,123 2,126 1,127 2,144 4,145 1,146 1,161 1,165 1,166 1,167 1,176 6,179 3,180 3,185 1,187 6,189 1,192 3,197 1,200 3,203 1,206 8,211 2,214 1,216 2,219 6,224 1,229 1,232 4,234 1,235 1,237 1,239 2,241 1,251 4,258 2,259 2,264 4,277 2,281 335,282 11.361,283 11.361,284 11.361,285 11.361,286 11.361,287 10.508,288 12.35,289 7.128,290 11.6,291 8.315,292 8.315,293 8.315,294 8.315,295 8.315,296 6.963,297 12.125,298 3.223,299 8.681,300 3.744,301 1.981,302 0.852,303 0.527,304 0.527,305 0.527,306 3.533,311 1,312 1,313 276,314 3.464,318 62.651,325 1.26,326 15.831,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 37,338 143,339 4.116,340 3.774,341 5.932,342 3.752,343 2.811,344 3.687,345 2.208,346 8.306,347 2.659,348 3.85,349 2.874,350 5.552,351 3.549,352 2.581,353 3.064,354 0.655,355 7.457,356 2.468,357 3.322,358 2.413,359 4.969,360 3.01,361 2.055,362 2.545,363 0.13,364 5.858,365 1.954,366 2.715,367 2.167,368 3.937,369 2.425,370 1.444,371 1.787,373 3.266,374 1.403,375 2.597,376 1.392,377 3.497,378 2.218,379 1.227,380 1.559,382 2.618,383 1.212,384 2.133,385 1.126,386 3.12,387 1.97,388 1,389 1.106,391 1.737,392 0.968,393 1.846,394 1.026,395 2.907,396 1.717,397 0.748,398 0.793,400 1.257,401 0.717,402 1.183,403 0.662,404 2.326,405 0.755,406 -0.212,407 -0.272,409 -0.452,410 -0.201,411 0.912,412 0.022,413 2,414 0.656,415 -0.307,416 -0.349,418 -0.603,419 -0.293,420 0.492,421 -0.327,422 1.752,423 0.369,424 -0.593,425 -0.602,427 -0.915,428 -0.566,429 0.414,430 -0.412,431 1.479,432 -0.001,433 -1,434 -1.238,436 -2.06,437 -0.976,438 0.291,439 -0.935,440 1.36,441 -0.02,442 -1,443 -1.395,445 -2.624,446 -0.988,447 -0.203,448 -0.974,449 1.223,450 -0.418,451 -1.374,452 -1.548,454 -3.251,455 -1.326,456 -0.5,457 -1.305,458 1.031,459 -0.717,460 -1.664,461 -1.91,463 -4.346,464 -1.541,465 -0.599,466 -1.527,467 0.456,468 -0.805,469 -1.78,470 -1.975,471 -0.4,472 -4.687,473 -1.688,474 7.967,475 0.469,476 0.332,477 0.02,478 18.25,479 1.074,480 8,481 0.471,482 10.25,483 0.603,484 12.952,485 0.762,486 20.233,487 0.547,488 12.261,489 0.721,490 3.694,491 0.217,492 4.474,493 0.263,494 0.218,496 0.238,501 0.849,502 1.527,503 0.973,504 1.341,505 0.752,506 1.188,507 0.626,508 0.978,509 0.928,510 1,511 0.521,512 0.996,513 0.966,514 1.127,515 0.914,516 1.127,517 0.747,518 1.026,519 1.725,520 0.953,521 1.061,522 0.896,523 1.572,524 0.889,525 1.747,526 1.121,527 1.208,528 1.061,529 1.699,530 1.059,531 1.466,532 0.978,533 1.139,534 0.962,535 1.501,536 1.01,537 1.08,538 1.002,539 1.146,540 1.035,541 1.213,542 1.094,543 0.527,544 1.127,545 1.173,546 1.305,547 0.779,548 1.344,549 3.5,550 0.017,551 1.556,552 1,553 0.702,554 0.375,555 0.285,556 0.165,557 0.082,558 0.036,559 2087,560 5077,561 1.869,562 54.1,563 3,564 11,567 2,569 4,572 1.569,573 1.729,574 3.097,575 0.411,577 1,578 1,579 1,582 54.205,583 1.465,584 3.228,585 4.358,586 4.682,587 4.682,588 4.682,589 2.514,590 3.852,591 4.055,592 3.167,593 430.767,594 6.855,595 4003.2,596 1,597 1,599 1,600 192.75,601 1.468,602 3.999,603 0.206,604 0.008,605 0.074,606 0.048,607 0.037,608 0.022,609 0.02,610 0.015,611 0.01,612 0.007,613 0.448,614 0.67,615 1,616 2.179,617 71.53,618 -0.041,619 -0.175,620 0.018,621 -0.105,622 -0.085,623 -0.041,624 0.328,625 0.176,626 0.067,627 0.058,628 0.17,629 0.033,630 -0.011,631 -0.101,632 0.06,633 -0.091,634 0.023,635 -0.01,636 -0.202,637 -0.028,638 -0.011,639 0.045,640 -0.111,641 0.044,642 -0.243,643 -0.118,644 -0.154,645 -0.086,646 -0.164,647 -0.105,648 -0.122,649 -0.029,650 -0.118,651 -0.001,652 -0.127,653 -0.059,654 -0.164,655 -0.006,656 -0.185,657 -0.036,658 -0.164,659 -0.105,660 0.107,661 -0.108,662 -0.257,663 -0.275,664 0.104,665 -0.326,666 1.989,667 4.651,668 0.353,669 11.806,670 0.995,671 1.139,672 1.855,673 3.44,674 0.615,675 2.89,676 3.091,677 3.219,678 3.332,679 3.401,680 3.296,681 3.258,682 3.178,683 2.89,684 2.485,685 4.926,686 0.573,687 236.35,688 2.89,689 4.344,690 5.118,691 5.932,692 6.73,693 7.552,694 8.358,695 9.184,696 9.993,697 10.82,698 5.4,699 1,705 1,715 4,720 2,722 6,737 1,741 37,743 7,744 1,745 17,747 37,748 13,749 6,750 2,751 4,756 1,757 1,763 2,770 2,772 7,773 6,777 1,782 1,786 1,790 1,793 20,794 4,795 2,796 4,802 2,808 1,809 2,829 1,851 1,859 1,864 2,868 17,869 1,876 4,878 1,881 1,893 5.4,896 1,898 1,901 9.833,902 6.95,903 4.111,904 2.322,907 1.242,908 1.225,909 0.903,910 5.841,911 6.756,912 3.091,913 3.512,914 3.897,915 4.319,916 4.726,917 4.682,918 4.758,919 4.883,920 4.473,921 4.114,922 0.833,923 21,924 6.27,926 2.42,927 0.026,929 7.824,931 11.952,933 8.888,936 2.324,937 39.5,938 0.002,941 211.88,942 79.599,943 36.022,945 36.145,948 79.599,949 248.025,950 36.022,951 17.222,952 45.302,953 37.905,954 25.145,955 19.429,956 6.763,957 211.88,959 211.88,960 115.62,961 36.145,964 164.795,965 83.229,968 54.127,969 61.493,972 211.88,973 72.166,974 79.599,977 211.88,978 24.472,979 58.251,981 69.042,982 211.88,983 72.166,984 79.599,986 0.543,987 0.308,988 0.16,989 0.081,990 7,991 4,992 0.162,993 6,995 1,996 2.902,997 101.484,999 6,1000 69.487,1005 13.843,1006 7.173,1007 4.651,1009 72.166,1010 7.468,1015 1.653,1017 32.897,1018 363.645,1019 21,1024 11.651,1028 -0.322,1031 36.811,1032 42.152,1034 0.281,1035 0.62,1036 0.837,1037 0.899,1038 0.899,1039 0.899,1040 4.256,1041 -0.212,1042 5.056,1043 1.257,1044 3.761,1045 4.19,1046 2.32,1047 5.746,1048 3.675,1049 5.39,1050 -0.307,1051 6.547,1052 -0.452,1053 3.219,1054 3.829,1055 1.847,1056 6.418,1057 3.061,1058 6.64,1059 -0.593,1060 8.138,1061 -0.603,1062 5.231,1063 6.176,1064 3.527,1065 9.433,1066 5.044,1067 7.925,1068 -1,1069 9.784,1070 -0.915,1071 5.485,1072 6.572,1073 3.656,1074 10.867,1075 5.213,1076 9.241,1077 -1,1078 11.464,1079 -2.06,1080 6.963,1081 8.445,1082 4.955,1083 13.367,1084 6.671,1085 10.576,1086 -1.374,1087 13.166,1088 -2.624,1089 7.595,1090 9.195,1091 5.37,1092 15.127,1093 7.218,1094 11.925,1095 -1.664,1096 14.881,1097 -3.251,1098 8.83,1099 10.849,1100 6.458,1101 17.417,1102 8.43,1103 2.811,1104 -1.78,1105 16.607,1106 -4.346,1107 9.65,1108 11.793,1109 7.028,1110 19.337,1111 9.169,1112 2.581,1113 8.306,1114 18.34,1115 -4.687,1116 10.769,1117 13.326,1118 7.994,1119 21.531,1120 10.259,1121 2.055,1122 7.457,1123 20.079,1124 3.687,1125 11.685,1126 14.39,1127 8.654,1128 23.535,1129 11.099,1130 1.444,1131 5.858,1132 21.822,1133 3.064,1134 12.75,1135 15.847,1136 9.549,1137 25.682,1138 12.128,1139 1.227,1140 3.266,1141 23.569,1142 2.545,1143 13.715,1144 16.99,1145 10.263,1146 27.731,1147 13.022,1148 1,1149 2.618,1150 25.319,1151 1.787,1152 14.755,1153 18.396,1154 11.116,1155 29.856,1156 14.02,1157 0.748,1158 1.737,1159 27.072,1160 1.559,1161 15.745,1162 19.592,1163 11.862,1164 31.93,1165 14.944,1166 2300,1167 3680,1168 10.633,1169 22.773,1170 23.864,1171 24.847,1172 25.238,1173 23.776,1174 23.732,1175 29.085,1176 5.986,1177 60.998,1178 22.759,1179 4.995,1180 5.774,1181 5.702,1182 4.813,1183 4.811,1184 6.687,1185 3.912,1186 14.383,1187 4.659,1188 9.848,1189 1.404,1190 1.462,1191 1.485,1192 1.399,1193 1.396,1194 1.711,1195 0.352,1196 3.588,1197 1.339,1198 3.941,1199 3.967,1200 3.878,1201 3.864,1202 7.433,1203 3.862,1204 3.711,1205 3.779,1206 3.596,1207 3.51,1208 5.013,1209 3.513,1210 3.479,1211 3.56,1212 3.313,1213 3.284,1214 4.797,1215 3.28,1216 3.36,1217 3.434,1218 3.193,1219 3.114,1220 4.283,1221 3.128,1222 3.022,1223 3.065,1224 2.843,1225 2.774,1226 4.119,1227 2.783,1228 2.881,1229 2.977,1230 2.699,1231 2.684,1232 3.874,1233 2.677,1234 2.765,1235 2.885,1236 2.587,1237 2.527,1238 3.74,1239 2.522,1240 2.702,1241 2.758,1242 2.38,1243 2.445,1244 3.271,1245 2.431,1246 0.242,1247 0.222,1248 0.349,1249 0.221,1250 0.165,1251 4.116,1252 0.217,1253 3.774,1254 0.13,1255 5.932,1256 0.489,1257 3.752,1258 0.156,1259 2.811,1260 3.687,1261 2.208,1262 8.306,1263 2.659,1264 1.914,1265 1.89,1266 2.038,1267 2.017,1268 1.215,1269 2.023,1270 1.67,1271 1.598,1272 1.936,1273 1.896,1274 1.179,1275 1.908,1276 1.455,1277 1.381,1278 1.722,1279 1.7,1280 0.853,1281 1.712,1282 1.318,1283 1.24,1284 1.644,1285 1.596,1286 0.714,1287 1.616,1288 0.931,1289 0.892,1290 1.29,1291 1.249,1292 0.423,1293 1.229,1294 0.873,1295 0.787,1296 1.204,1297 1.144,1298 0.236,1299 1.178,1300 0.808,1301 0.689,1302 1.133,1303 1.102,1304 0.164,1305 1.145,1306 0.633,1307 0.591,1308 0.906,1309 0.922,1311 0.927,1312 3.555,1314 4.779,1316 6.196,1318 7.703,1320 9.254,1322 3.751,1326 5.484,1328 2.99,1330 5.262,1333 1.565,1340 21.214,1341 54.205,1342 119.447,1343 161.24,1344 173.24,1345 173.24,1346 173.24,1347 33.394,1348 5.513,1349 55.56,1350 55.56,1351 6,1352 11.4,1353 3,1354 2.322,1355 38.102,1356 49,1357 50,1358 0.39,1359 137.949,1360 239.22,1361 328.355,1362 1276,1364 12.673,1365 0.745,1366 0.616,1367 12.673,1368 10.479,1369 8.168,1370 0.48,1371 0.346,1372 5.801,1373 7.828,1374 5.596,1375 4.771,1376 8.168,1377 5.89,1378 6.666,1379 0.317,1380 0.189,1381 6.666,1382 3.976,1383 5.009,1384 0.209,1385 0.1,1386 5.009,1387 2.407,1388 3.785,1389 0.14,1390 0.057,1391 3.785,1392 1.537,1393 2.602,1394 0.09,1395 0.028,1396 2.602,1397 0.799,1398 0.605,1399 51.416,1400 0.307,1401 17.393,1402 1.078,1403 76,1404 236.428,1405 85.529,1406 224.03,1407 296.56,1408 208,1409 83,1410 210.796,1411 91.811,1412 212.31,1413 304.62,1414 197,1415 5.108}
{0 CHEMBL151236,1 1.497,2 7.688,3 1.575,4 2.482,5 63.637,6 6.539,7 0.375,8 3.58,9 3.719,10 3.006,11 3.017,12 4.67,13 2.985,14 4.096,15 4.31,16 3.274,17 3.334,18 5.168,19 3.264,20 4.279,21 4.51,22 3.29,23 3.432,24 5.273,25 3.346,26 4.328,27 4.555,28 3.193,29 3.341,30 5.44,31 3.256,32 4.203,33 4.445,34 3.04,35 3.214,36 5.28,37 3.131,38 3.991,39 4.214,40 2.922,41 3.157,42 5.048,43 3.039,44 4.03,45 4.3,46 2.62,47 3.077,48 4.927,49 2.905,50 3.864,51 4.15,52 2.354,53 2.885,54 4.825,55 2.666,56 0.024,57 0.461,58 8.006,59 2.965,60 6.96,61 4.307,62 0.315,63 0.659,64 14.111,65 4.535,66 25.474,67 6.818,68 0.142,69 0.726,70 16.781,71 5.573,72 21.242,73 8.183,74 0.266,75 0.677,76 18.203,77 5.329,78 44.534,79 7.77,80 0.295,81 0.609,82 16.17,83 4.331,84 40.529,85 6.574,86 0.158,87 0.558,88 12.529,89 4.173,90 23.485,91 6.231,92 0.177,93 0.527,94 13.129,95 4.108,96 25.963,97 6.295,98 0.179,99 0.44,100 11.003,101 3.664,102 30.068,103 5.581,104 27,105 20,106 0.285,107 0.616,108 0.804,109 0.871,110 0.871,111 0.871,112 2.85,113 1.011,114 -2.81,115 -2.82,116 -2.74,121 35.3,122 1,123 1,126 1,127 2,144 4,145 1,146 1,161 1,165 1,166 1,167 1,176 5,179 3,180 3,185 1,187 6,189 1,192 2,197 1,200 3,203 1,206 8,211 2,214 1,216 2,219 4,224 1,229 1,232 4,234 1,235 1,237 1,239 2,241 1,251 2,258 2,259 2,264 2,281 282,282 10.654,283 10.654,284 10.654,285 10.654,286 10.654,287 9.801,288 12.35,289 6.523,290 10.929,291 7.777,292 7.777,293 7.777,294 7.777,295 7.777,296 6.425,297 12.125,298 2.927,299 8.152,300 3.591,301 1.854,302 0.868,303 0.515,304 0.515,305 0.515,306 3.473,311 1,312 1,313 236,314 3.317,318 57.778,325 1.227,326 15.315,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 35,338 123,339 4.115,340 3.773,341 5.924,342 3.749,343 2.807,344 3.687,345 2.208,346 8.274,347 2.658,348 3.846,349 2.874,350 5.549,351 3.542,352 2.574,353 3.061,354 0.655,355 7.426,356 2.458,357 3.319,358 2.409,359 4.966,360 3.002,361 2.048,362 2.543,363 0.13,364 5.834,365 1.947,366 2.701,367 2.128,368 3.843,369 2.316,370 1.348,371 1.78,373 2.986,374 1.295,375 2.5,376 1.392,377 3.49,378 2.14,379 1.152,380 1.424,382 2.546,383 1.125,384 2.133,385 1.126,386 3.114,387 1.97,388 1,389 1.106,391 1.735,392 0.968,393 1.213,394 0.692,395 2.671,396 1.132,397 0.175,398 0.179,400 0.239,401 0.166,402 1.169,403 0.374,404 2,405 0.746,406 -0.23,407 -0.293,409 -0.462,410 -0.221,411 0.912,412 0.022,413 2,414 0.654,415 -0.311,416 -0.361,418 -0.64,419 -0.298,420 0.481,421 -0.374,422 1.613,423 -0.001,424 -1,425 -1.237,427 -2.06,428 -0.976,429 0.291,430 -0.916,431 1.384,432 -0.02,433 -1,434 -1.342,436 -2.619,437 -0.988,438 -0.189,439 -0.945,440 1.274,441 -0.37,442 -1.305,443 -1.446,445 -2.851,446 -1.223,447 -0.46,448 -1.214,449 1.031,450 -0.621,451 -1.57,452 -1.871,454 -4.266,455 -1.497,456 -0.5,457 -1.372,458 0.457,459 -0.786,460 -1.759,461 -1.975,462 -0.4,463 -4.64,464 -1.617,465 -0.677,466 -1.569,467 0.455,468 -1,469 -1.927,470 -2.254,471 -0.889,472 -5.472,473 -1.799,474 7.467,475 0.467,476 0.332,477 0.021,478 17.75,479 1.109,480 8,481 0.5,482 9.75,483 0.609,484 11.402,485 0.713,486 18.933,487 0.557,488 11.876,489 0.742,490 3.716,491 0.232,492 3.952,493 0.247,494 0.232,496 0.254,501 0.853,502 1.528,503 0.945,504 1.328,505 0.758,506 1.165,507 0.633,508 0.934,509 0.894,510 0.95,511 0.526,512 0.947,513 1.019,514 1.071,515 0.93,516 1.106,517 0.775,518 1.012,519 1.714,520 1.097,521 1.125,522 1.054,523 1.615,524 1.021,525 1.825,526 0.881,527 1.158,528 0.792,529 1.776,530 0.863,531 0.908,532 1.275,533 1.122,534 1.274,535 0.939,536 1.246,537 1.059,538 1.008,539 1.161,540 1.051,541 1.204,542 1.115,543 0.532,544 1.013,545 1.093,546 1.189,547 0.773,548 1.237,549 3.5,551 1.556,552 0.875,553 0.622,554 0.375,555 0.285,556 0.165,557 0.07,558 0.02,559 1722,560 4488,561 1.861,562 52.9,564 11,567 2,569 5,572 1.55,573 1.714,574 2.984,575 0.451,577 1,578 1,579 1,582 50.896,583 1.497,584 3.234,585 4.22,586 4.572,587 4.572,588 4.572,589 2.483,590 3.75,591 3.969,592 3.058,593 366.96,594 6.682,595 3240.55,597 1,599 1,600 172.974,601 1.5,602 3.906,603 0.219,605 0.078,606 0.044,607 0.037,608 0.025,609 0.022,610 0.018,611 0.012,612 0.007,613 0.46,614 0.67,615 1,616 2,617 65.335,618 -0.051,619 -0.189,620 0.018,621 -0.112,622 -0.1,623 -0.043,624 0.328,625 0.214,626 0.091,627 0.094,628 0.168,629 0.065,630 -0.044,631 -0.035,632 0.042,633 -0.067,634 0.009,635 0.001,636 -0.21,637 -0.177,638 -0.085,639 -0.082,640 -0.121,641 -0.071,642 -0.306,643 0.056,644 -0.105,645 0.128,646 -0.233,647 0.052,648 0.008,649 -0.208,650 -0.163,651 -0.223,652 -0.015,653 -0.228,654 -0.16,655 -0.054,656 -0.208,657 -0.082,658 -0.177,659 -0.145,660 0.136,661 -0.068,662 -0.177,663 -0.22,664 0.146,665 -0.257,666 2.007,667 4.492,668 0.375,669 10.375,670 0.998,671 1.139,672 1.583,673 2.506,674 0.618,675 2.833,676 3.045,677 3.178,678 3.258,679 3.332,680 3.258,681 3.178,682 3.091,683 2.708,684 2.197,685 4.618,686 0.579,687 222.32,688 2.833,689 4.29,690 5.069,691 5.883,692 6.683,693 7.506,694 8.313,695 9.139,696 9.948,697 10.775,698 5.9,699 1,705 1,715 4,720 2,722 6,737 1,741 34,743 7,744 1,745 16,747 34,748 12,749 6,750 2,751 4,756 1,757 1,763 2,770 1,772 7,773 5,777 1,782 1,786 1,790 1,793 18,794 4,795 2,796 4,802 2,808 1,809 2,829 1,851 1,859 1,864 2,868 16,869 1,876 3,878 1,881 1,893 5.9,896 1,898 1,901 9.333,902 6.45,903 3.861,904 2.072,907 1.262,908 1.233,909 0.903,910 5.123,911 6.669,912 3.045,913 3.481,914 3.876,915 4.292,916 4.699,917 4.672,918 4.732,919 4.849,920 4.365,921 3.888,922 1,923 20,924 5.887,926 2.272,927 0.026,929 7.875,931 11.136,933 8.222,936 2.375,937 38,938 0.002,941 188.338,942 77.064,943 36.022,945 36.145,948 77.064,949 224.482,950 36.022,951 17.222,952 42.767,953 37.905,954 25.145,955 19.429,956 6.763,957 188.338,959 188.338,960 113.086,961 36.145,964 129.482,965 95,968 51.593,969 61.493,972 188.338,973 72.166,974 77.064,977 188.338,978 21.937,979 58.251,981 69.042,982 188.338,983 72.166,984 77.064,986 0.55,987 0.317,988 0.152,989 0.075,990 7,991 4,992 0.147,993 5,995 1,996 2.782,997 93.57,999 6,1000 64,1005 12.847,1006 6.381,1007 4.055,1009 72.166,1010 7.433,1015 1.642,1017 32.897,1018 337.568,1019 20,1024 11.492,1028 -0.34,1031 33.927,1032 38.737,1034 0.294,1035 0.636,1036 0.829,1037 0.899,1038 0.899,1039 0.899,1040 4.212,1041 -0.23,1042 5.017,1043 0.239,1044 3.714,1045 4.159,1046 2.32,1047 5.714,1048 3.623,1049 5.358,1050 -0.311,1051 6.518,1052 -0.462,1053 3.219,1054 3.829,1055 1.847,1056 6.418,1057 3.061,1058 6.615,1059 -1,1060 8.116,1061 -0.64,1062 5.198,1063 6.164,1064 3.527,1065 9.406,1066 5.007,1067 7.907,1068 -1,1069 9.767,1070 -2.06,1071 5.485,1072 6.572,1073 3.656,1074 10.853,1075 5.213,1076 9.226,1077 -1.305,1078 11.45,1079 -2.619,1080 6.938,1081 8.44,1082 4.955,1083 13.339,1084 6.644,1085 10.564,1086 -1.57,1087 13.153,1088 -2.851,1089 7.588,1090 9.193,1091 5.37,1092 15.102,1093 7.211,1094 11.916,1095 -1.759,1096 14.869,1097 -4.266,1098 8.809,1099 10.847,1100 6.458,1101 17.384,1102 8.409,1103 2.807,1104 -1.927,1105 16.595,1106 -4.64,1107 9.637,1108 11.792,1109 7.028,1110 19.304,1111 9.157,1112 2.574,1113 8.274,1114 18.328,1115 -5.472,1116 10.749,1117 13.324,1118 7.994,1119 21.491,1120 10.24,1121 2.048,1122 7.426,1123 20.066,1124 3.687,1125 11.668,1126 14.389,1127 8.654,1128 23.493,1129 11.084,1130 1.348,1131 5.834,1132 21.809,1133 3.061,1134 12.729,1135 15.845,1136 9.549,1137 25.634,1138 12.109,1139 1.152,1140 2.986,1141 23.555,1142 2.543,1143 13.694,1144 16.988,1145 10.263,1146 27.681,1147 13.005,1148 1,1149 2.546,1150 25.304,1151 1.78,1152 14.731,1153 18.395,1154 11.116,1155 29.801,1156 14.001,1157 0.175,1158 1.735,1159 27.056,1160 1.424,1161 15.722,1162 19.591,1163 11.862,1164 31.872,1165 14.926,1166 1915,1167 3173,1168 9.94,1169 21.012,1170 22.225,1171 23.19,1172 24.114,1173 22.23,1174 22.206,1175 27.558,1176 5.986,1177 58.081,1178 21.236,1179 4.969,1180 5.773,1181 5.695,1182 4.802,1183 4.807,1184 6.687,1185 3.912,1186 14.304,1187 4.658,1188 9.396,1189 1.389,1190 1.449,1191 1.507,1192 1.389,1193 1.388,1194 1.722,1195 0.374,1196 3.63,1197 1.327,1198 3.94,1199 3.966,1200 3.877,1201 3.863,1202 7.433,1203 3.861,1204 3.674,1205 3.743,1206 3.571,1207 3.434,1208 5.013,1209 3.452,1210 3.469,1211 3.555,1212 3.298,1213 3.279,1214 4.797,1215 3.271,1216 3.22,1217 3.289,1218 3.054,1219 2.965,1220 4.283,1221 2.974,1222 3.003,1223 3.063,1224 2.768,1225 2.763,1226 4.096,1227 2.757,1228 2.881,1229 2.977,1230 2.699,1231 2.683,1232 3.743,1233 2.677,1234 2.733,1235 2.785,1236 2.584,1237 2.499,1238 3.733,1239 2.519,1240 2.424,1241 2.558,1242 2.102,1243 2.094,1244 3.262,1245 2.075,1246 0.257,1247 0.236,1248 0.37,1249 0.234,1250 0.175,1251 4.115,1252 0.23,1253 3.773,1254 0.138,1255 5.924,1256 0.517,1257 3.749,1258 0.166,1259 2.807,1260 3.687,1261 2.208,1262 8.274,1263 2.658,1264 1.914,1265 1.89,1266 2.038,1267 2.016,1268 1.215,1269 2.023,1270 1.606,1271 1.532,1272 1.873,1273 1.866,1274 1.038,1275 1.868,1276 1.451,1277 1.375,1278 1.72,1279 1.692,1280 0.852,1281 1.707,1282 1.186,1283 1.104,1284 1.568,1285 1.472,1286 0.622,1287 1.505,1288 0.931,1289 0.887,1290 1.204,1291 1.249,1292 0.236,1293 1.218,1294 0.873,1295 0.787,1296 1.145,1297 1.143,1298 0.17,1299 1.168,1300 0.673,1301 0.626,1302 1.008,1303 0.943,1304 0.128,1305 0.963,1306 0.433,1307 0.288,1308 0.896,1309 0.773,1311 0.828,1312 3.497,1314 4.727,1316 6.155,1318 7.667,1320 9.221,1322 3.595,1326 5.466,1328 2.003,1330 5.2,1333 1.51,1340 19.687,1341 50.896,1342 109.954,1343 143.464,1344 155.464,1345 155.464,1346 155.464,1347 28.996,1348 5.407,1349 55.56,1350 55.56,1351 6,1352 11.354,1353 3,1354 2.322,1355 34.54,1356 43,1357 44,1358 0.404,1359 128.357,1360 221.92,1361 304.95,1362 1090,1364 11.966,1365 0.748,1366 0.611,1367 11.966,1368 9.772,1369 7.668,1370 0.479,1371 0.337,1372 5.301,1373 7.32,1374 5.11,1375 4.339,1376 7.668,1377 5.39,1378 6.286,1379 0.314,1380 0.178,1381 6.286,1382 3.568,1383 4.909,1384 0.213,1385 0.101,1386 4.909,1387 2.323,1388 3.447,1389 0.138,1390 0.05,1391 3.447,1392 1.239,1393 2.346,1394 0.087,1395 0.027,1396 2.346,1397 0.717,1398 0.621,1399 48.416,1400 0.317,1401 16.35,1402 1.132,1403 72,1404 232.428,1405 81.529,1406 219.742,1407 290.74,1408 204,1409 79,1410 206.796,1411 87.644,1412 207.853,1413 298.2,1414 193,1415 4.45}
{0 CHEMBL151368,1 1.465,2 7.882,3 2.194,4 4.815,5 68.958,6 6.388,7 0.353,8 3.658,9 3.796,10 3.076,11 3.079,12 4.707,13 3.043,14 4.198,15 4.436,16 3.345,17 3.401,18 5.209,19 3.341,20 4.318,21 4.511,22 3.326,23 3.552,24 5.331,25 3.444,26 4.548,27 4.833,28 3.177,29 3.472,30 5.465,31 3.333,32 4.218,33 4.47,34 3.158,35 3.347,36 5.164,37 3.249,38 4.142,39 4.345,40 3.067,41 3.371,42 5.147,43 3.239,44 4.287,45 4.585,46 2.819,47 3.269,48 5.101,49 3.079,50 4.011,51 4.276,52 2.423,53 2.953,54 4.88,55 2.754,56 0.016,57 0.501,58 8.852,59 3.196,60 6.156,61 4.755,62 0.391,63 0.721,64 15.929,65 4.589,66 25.888,67 7.182,68 0.096,69 0.801,70 17.338,71 6.45,72 20.094,73 9.18,74 0.351,75 0.79,76 22.396,77 6.561,78 49.299,79 9.89,80 0.191,81 0.681,82 15.863,83 4.968,84 23.639,85 7.549,86 0.153,87 0.683,88 14.532,89 5.236,90 20.44,91 7.677,92 0.176,93 0.651,94 16.746,95 5.344,96 26.678,97 8.256,98 0.282,99 0.474,100 13.078,101 3.909,102 25.263,103 5.845,104 38,105 22,106 0.273,107 0.528,108 0.675,109 0.776,110 0.776,111 0.776,112 2.905,113 0.991,114 -3.08,115 -3.08,116 -2.97,121 35.1,123 1,126 4,127 1,144 4,145 1,146 1,161 1,176 5,179 3,180 3,187 6,192 3,200 3,206 8,214 1,219 5,231 1,232 5,255 2,281 326,282 10.776,283 10.776,284 10.776,285 10.776,286 10.776,287 9.922,288 14.123,289 6.527,290 11.111,291 8.374,292 8.374,293 8.374,294 8.374,295 8.374,296 7.015,297 15.183,298 3.124,299 8.862,300 3.744,301 2.378,302 1.595,303 1.055,304 1.055,305 1.055,306 3.529,311 1,312 1,313 257,314 3.606,318 62.244,325 1.419,326 12.637,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 37,338 134,339 4.112,340 3.762,341 5.836,342 3.737,343 2.789,344 3.687,345 2.208,346 8.105,347 2.658,348 3.819,349 2.888,350 5.522,351 3.514,352 2.553,353 3.036,354 0.8,355 7.218,356 2.42,357 3.351,358 2.585,359 4.969,360 3.14,361 2.215,362 2.547,363 0.655,364 5.811,365 2.049,366 3.123,367 2.308,368 4.59,369 2.884,370 1.94,371 2.158,372 0.13,373 4.981,374 1.821,375 2.678,376 1.974,377 3.568,378 2.228,379 1.247,380 1.755,382 2.731,383 1.22,384 2.304,385 1.307,386 3.428,387 1.967,388 1,389 1.192,391 2.272,392 0.949,393 1.666,394 0.705,395 2.932,396 1.526,397 0.546,398 0.597,400 1.215,401 0.534,402 1.177,403 0.63,404 2.415,405 0.741,406 -0.224,407 -0.292,409 -0.559,410 -0.212,411 0.708,412 -0.287,413 2,414 0.381,415 -0.598,416 -0.71,418 -1.533,419 -0.583,420 0.484,421 -0.387,422 1.723,423 -0.001,424 -1,425 -1,427 -2,428 -0.9,430 -0.6,431 1.501,432 -0.1,433 -1,434 -1,436 -2,437 -0.9,439 -0.6,440 1.344,441 -0.1,442 -1,443 -1.405,445 -2.588,446 -0.985,447 -0.039,448 -1.019,449 1.035,450 -0.279,451 -1.241,452 -1.489,453 -0.4,454 -3.293,455 -1.187,456 -0.252,457 -1.078,458 1,459 -0.509,460 -1.471,461 -1.814,462 -0.4,463 -4.159,464 -1.431,465 -0.5,466 -1.363,467 1,468 -0.885,469 -1.821,470 -2.001,471 -0.4,472 -4.856,473 -1.601,474 7.967,475 0.469,476 0.514,477 0.03,478 18.75,479 1.103,480 8,481 0.471,482 10.75,483 0.632,484 12.36,485 0.727,486 20.233,487 0.547,488 13.266,489 0.78,490 4.095,491 0.241,492 3.891,493 0.229,494 0.293,496 0.289,501 0.795,502 1.819,503 0.939,504 1.488,505 0.62,506 1.267,507 0.855,508 0.621,509 0.894,510 0.64,511 0.456,512 0.72,513 0.983,514 1.447,515 1.175,516 1.531,517 0.804,518 1.409,519 1.472,520 0.8,521 0.93,522 0.758,523 1.538,524 0.778,525 1.155,526 0.939,527 0.917,528 0.854,529 1.059,530 0.848,531 0.864,532 1.447,533 1.273,534 1.487,535 1.007,536 1.457,537 0.813,538 0.983,539 0.949,540 1.023,541 0.993,542 1.009,543 1.405,544 0.948,545 1.365,546 1.101,547 1.272,548 1.231,549 4.5,551 1.556,552 0.75,553 0.782,554 0.431,555 0.368,556 0.205,557 0.099,558 0.08,559 2091,560 5169,561 1.838,562 54.1,564 18,569 2,572 1.568,573 1.672,574 3.024,575 -0.75,577 1,578 1,579 1,582 54.205,583 1.465,584 2.831,585 3.614,586 4.155,587 4.155,588 4.155,589 2.469,590 3.735,591 4.056,592 3.159,593 429.64,594 6.851,595 4028.47,596 1,597 1,599 1,600 192.75,601 1.566,602 3.976,603 0.265,605 0.071,606 0.038,607 0.046,608 0.024,609 0.025,610 0.019,611 0.016,612 0.013,613 0.516,614 0.67,615 1,616 1.849,617 71.653,618 0.015,619 -0.476,620 0.052,621 -0.256,622 -0.041,623 -0.122,624 0.24,625 0.537,626 0.136,627 0.328,628 0.225,629 0.247,630 -0.051,631 -0.321,632 -0.206,633 -0.385,634 0.008,635 -0.326,636 -0.145,637 0.029,638 0.077,639 0.152,640 -0.104,641 0.144,642 -0.111,643 0.074,644 0.074,645 0.141,646 -0.019,647 0.138,648 -0.015,649 -0.306,650 -0.313,651 -0.366,652 -0.131,653 -0.389,654 -0.024,655 -0.079,656 -0.014,657 -0.075,658 -0.053,659 -0.045,660 -0.102,661 -0.036,662 -0.359,663 -0.178,664 -0.19,665 -0.306,666 2.019,667 4.385,668 0.353,669 12.796,670 0.995,671 1.139,672 1.855,673 3.44,674 0.615,675 2.89,676 3.135,677 3.178,678 3.258,679 3.434,680 3.332,681 3.332,682 3.219,683 3.091,684 2.398,685 4.968,686 0.573,687 236.35,688 2.89,689 4.369,690 5.13,691 5.948,692 6.737,693 7.557,694 8.358,695 9.18,696 9.987,697 10.81,698 5.4,701 1,705 1,715 4,720 2,722 6,737 1,741 37,743 7,744 1,745 17,747 37,748 13,749 6,750 2,751 4,756 1,757 1,770 1,772 7,773 6,777 1,782 1,786 1,790 1,793 20,794 4,796 4,802 2,808 1,809 2,829 1,855 1,859 1,864 4,868 17,876 2,878 1,881 2,893 5.4,896 1,898 1,901 10.167,902 7.817,903 3.861,904 2.006,907 1.275,908 1.23,909 0.89,910 5.292,911 6.813,912 3.091,913 3.541,914 3.876,915 4.278,916 4.743,917 4.727,918 4.844,919 4.965,920 4.79,921 3.816,922 1,923 20,924 6.257,926 2.383,927 0.026,929 7.765,931 11.94,933 8.736,936 2.265,937 38.5,938 0.002,941 235.422,942 91.322,943 6.249,945 36.145,948 91.322,949 271.567,950 6.249,951 33.586,952 7.765,953 37.905,954 25.145,955 22.553,956 6.763,957 235.422,959 235.422,960 97.571,961 36.145,964 211.88,965 59.687,968 10.889,969 86.682,972 235.422,973 42.393,974 91.322,977 235.422,978 19.832,979 77.739,981 36.145,982 235.422,983 42.393,984 91.322,986 0.572,987 0.289,988 0.125,989 0.077,990 8,991 5,992 0.135,993 5,995 1,996 2.878,997 101.732,999 6,1000 62.732,1005 13.843,1006 6.499,1007 5.088,1009 42.393,1010 7.644,1015 1.766,1018 369.138,1019 21,1024 11.385,1028 -0.352,1031 36.811,1032 42.152,1034 0.281,1035 0.543,1036 0.694,1037 0.798,1038 0.798,1039 0.798,1040 4.284,1041 -0.224,1042 5.106,1043 1.215,1044 3.807,1045 4.22,1046 2.41,1047 5.784,1048 3.702,1049 5.443,1050 -0.598,1051 6.6,1052 -0.559,1053 3.434,1054 3.951,1055 1.905,1056 6.457,1057 3.248,1058 6.699,1059 -1,1060 8.186,1061 -1.533,1062 5.283,1063 6.197,1064 3.541,1065 9.394,1066 5.073,1067 7.981,1068 -1,1069 9.819,1070 -2,1071 5.602,1072 6.613,1073 3.664,1074 10.779,1075 5.305,1076 9.29,1077 -1,1078 11.481,1079 -2,1080 6.999,1081 8.452,1082 4.957,1083 13.249,1084 6.688,1085 10.615,1086 -1.241,1087 13.162,1088 -2.588,1089 7.637,1090 9.2,1091 5.371,1092 14.959,1093 7.243,1094 11.954,1095 -1.471,1096 14.856,1097 -3.293,1098 8.834,1099 10.847,1100 6.458,1101 17.228,1102 8.425,1103 2.789,1104 -1.821,1105 16.56,1106 -4.159,1107 9.639,1108 11.787,1109 7.028,1110 19.107,1111 9.154,1112 2.553,1113 8.105,1114 18.271,1115 -4.856,1116 10.738,1117 13.319,1118 7.994,1119 21.279,1120 10.233,1121 2.215,1122 7.218,1123 19.989,1124 3.687,1125 11.635,1126 14.381,1127 8.654,1128 23.25,1129 11.061,1130 1.94,1131 5.811,1132 21.711,1133 3.036,1134 12.687,1135 15.839,1136 9.549,1137 25.375,1138 12.086,1139 1.247,1140 4.981,1141 23.438,1142 2.547,1143 13.634,1144 16.981,1145 10.263,1146 27.395,1147 12.97,1148 1,1149 2.731,1150 25.168,1151 2.158,1152 14.664,1153 18.389,1154 11.116,1155 29.497,1156 13.966,1157 0.546,1158 2.272,1159 26.902,1160 1.755,1161 15.64,1162 19.585,1163 11.862,1164 31.545,1165 14.884,1166 2311,1167 3737,1168 10.345,1169 22.773,1170 24.812,1171 25.543,1172 25.455,1173 24.651,1174 24.583,1175 29.944,1176 7.586,1177 64.665,1178 23.298,1179 4.961,1180 5.762,1181 5.393,1182 4.782,1183 4.789,1184 6.687,1185 3.912,1186 14.008,1187 4.658,1188 11.093,1189 1.46,1190 1.503,1191 1.497,1192 1.45,1193 1.446,1194 1.761,1195 0.446,1196 3.804,1197 1.37,1198 3.944,1199 3.972,1200 3.88,1201 3.866,1202 7.433,1203 3.864,1204 3.645,1205 3.718,1206 3.542,1207 3.409,1208 4.812,1209 3.418,1210 3.592,1211 3.67,1212 3.454,1213 3.329,1214 4.334,1215 3.358,1216 3.191,1217 3.271,1218 3.008,1219 3.012,1220 4.269,1221 2.996,1222 3.031,1223 3.057,1224 2.878,1225 2.785,1226 4.065,1227 2.801,1228 2.874,1229 3.009,1230 2.605,1231 2.618,1232 3.763,1233 2.57,1234 2.874,1235 3.009,1236 2.499,1237 2.618,1238 3.467,1239 2.57,1240 2.747,1241 2.806,1242 2.499,1243 2.545,1244 3.467,1245 2.548,1246 0.242,1247 0.221,1248 0.343,1249 0.22,1250 0.164,1251 4.112,1252 0.217,1253 3.762,1254 0.13,1255 5.836,1256 0.477,1257 3.737,1258 0.156,1259 2.789,1260 3.687,1261 2.208,1262 8.105,1263 2.658,1264 1.917,1265 1.892,1266 2.043,1267 2.022,1268 1.247,1269 2.029,1270 1.586,1271 1.508,1272 1.838,1273 1.851,1274 0.955,1275 1.847,1276 1.51,1277 1.431,1278 1.781,1279 1.789,1280 0.833,1281 1.793,1282 1.206,1283 1.124,1284 1.541,1285 1.429,1286 0.688,1287 1.47,1288 0.934,1289 0.898,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.934,1295 0.804,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.927,1301 0.804,1302 1.14,1303 1.232,1304 0.208,1305 1.187,1306 0.731,1307 0.666,1308 1.049,1309 0.962,1310 0.159,1311 0.997,1312 3.555,1314 4.812,1316 6.232,1318 7.726,1320 9.261,1322 7.405,1328 1.922,1330 5.197,1333 3.533,1340 21.214,1341 54.205,1342 104.75,1343 133.73,1344 153.73,1345 153.73,1346 153.73,1347 29.594,1348 5.537,1349 32.78,1350 32.78,1351 6,1352 11.392,1353 3,1354 2.322,1355 38.128,1356 50,1357 44,1358 0.387,1359 137.949,1360 239.22,1361 328.355,1362 1326,1364 12.836,1365 0.755,1366 0.643,1367 12.836,1368 10.935,1369 7.986,1370 0.47,1371 0.33,1372 5.496,1373 7.565,1374 5.17,1375 4.459,1376 7.986,1377 5.616,1378 7.327,1379 0.333,1380 0.203,1381 7.327,1382 4.463,1383 4.887,1384 0.212,1385 0.101,1386 4.887,1387 2.316,1388 3.246,1389 0.13,1390 0.052,1391 3.246,1392 1.309,1393 2.667,1394 0.089,1395 0.031,1396 2.667,1397 0.938,1398 0.601,1399 50.836,1400 0.311,1401 17.398,1402 1.065,1403 78,1404 248.761,1405 87.917,1406 235.756,1407 308.12,1408 218,1409 84,1410 214.43,1411 93.81,1412 221.612,1413 311.24,1414 200,1415 6.796}
{0 CHEMBL151369,1 1.465,2 8.412,3 2.007,4 4.029,5 68.411,6 6.388,7 0.353,8 3.658,9 3.797,10 3.069,11 3.089,12 4.7,13 3.051,14 4.192,15 4.419,16 3.322,17 3.403,18 5.211,19 3.329,20 4.354,21 4.587,22 3.339,23 3.515,24 5.3,25 3.418,26 4.432,27 4.671,28 3.248,29 3.445,30 5.475,31 3.342,32 4.319,33 4.576,34 3.137,35 3.337,36 5.313,37 3.242,38 4.095,39 4.303,40 3.048,41 3.314,42 5.097,43 3.191,44 4.211,45 4.489,46 2.803,47 3.257,48 5.059,49 3.078,50 4.043,51 4.322,52 2.496,53 3.037,54 4.892,55 2.826,56 0.023,57 0.5,58 8.848,59 3.252,60 6.02,61 4.783,62 0.353,63 0.719,64 15.717,65 4.81,66 26.447,67 7.401,68 0.15,69 0.789,70 18.1,71 6.128,72 19.937,73 9.003,74 0.276,75 0.754,76 20.05,77 6.031,78 44.092,79 8.865,80 0.305,81 0.685,82 17.976,83 5.032,84 37.967,85 7.654,86 0.157,87 0.645,88 13.884,89 4.895,90 20.159,91 7.208,92 0.173,93 0.632,94 15.546,95 5.082,96 25.404,97 7.749,98 0.238,99 0.512,100 13.243,101 4.289,102 25.316,103 6.448,104 30,105 21,106 0.273,107 0.576,108 0.779,109 0.87,110 0.87,111 0.87,112 2.906,113 1.03,114 -3.08,115 -3.08,116 -2.97,121 35.1,122 1,123 1,126 2,127 2,144 4,145 1,146 1,161 1,176 5,179 3,180 3,185 1,187 6,192 2,197 1,200 3,206 8,211 2,214 1,219 4,224 1,232 4,235 1,237 1,239 2,251 2,259 2,264 2,281 343,282 11.361,283 11.361,284 11.361,285 11.361,286 11.361,287 10.508,288 15.512,289 7.048,290 11.708,291 8.277,292 8.277,293 8.277,294 8.277,295 8.277,296 6.925,297 16.146,298 3.222,299 8.717,300 3.744,301 2.124,302 1.034,303 0.548,304 0.548,305 0.548,306 3.534,311 1,312 1,313 275,314 3.464,318 62.389,325 1.377,326 13.856,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 37,338 143,339 4.115,340 3.773,341 5.924,342 3.749,343 2.807,344 3.687,345 2.208,346 8.275,347 2.659,348 3.846,349 2.876,350 5.55,351 3.544,352 2.576,353 3.061,354 0.655,355 7.431,356 2.459,357 3.323,358 2.419,359 4.969,360 3.012,361 2.058,362 2.545,363 0.4,364 5.848,365 1.956,366 2.71,367 2.13,368 3.846,369 2.396,370 1.453,371 1.788,372 0.13,373 3.03,374 1.365,375 2.5,376 1.704,377 3.51,378 2.22,379 1.257,380 1.431,382 2.623,383 1.198,384 2.432,385 1.276,386 3.379,387 2.121,388 1.129,389 1.421,391 2.421,392 1.111,393 1.382,394 0.698,395 2.682,396 1.235,397 0.274,398 0.295,400 0.441,401 0.263,402 1.21,403 0.469,404 2.474,405 1.132,406 0.175,407 0.179,409 0.239,410 0.166,411 1.163,412 0.372,413 2,414 0.73,415 -0.244,416 -0.317,418 -0.583,419 -0.232,420 0.662,421 -0.318,422 1.688,423 0.343,424 -0.633,425 -0.742,427 -1.294,428 -0.614,429 0.481,430 -0.405,431 1.578,432 -0.001,433 -1,434 -1.335,436 -2.408,437 -0.985,438 -0.035,439 -0.924,440 1.284,441 -0.261,442 -1.218,443 -1.434,445 -2.67,446 -1.161,447 -0.199,448 -1.051,449 1.073,450 -0.375,451 -1.307,452 -1.456,454 -2.852,455 -1.223,456 -0.465,457 -1.224,458 1,459 -0.631,460 -1.578,461 -1.871,462 -0.4,463 -4.298,464 -1.504,465 -0.5,466 -1.389,467 0.456,468 -0.858,469 -1.812,470 -1.992,471 -0.4,472 -4.696,473 -1.626,474 7.967,475 0.469,476 0.332,477 0.02,478 18.5,479 1.088,480 8,481 0.471,482 10.5,483 0.618,484 12.556,485 0.739,486 20.233,487 0.547,488 12.589,489 0.741,490 3.929,491 0.231,492 4.239,493 0.249,494 0.23,496 0.238,501 0.822,502 1.673,503 0.956,504 1.414,505 0.627,506 1.227,507 0.735,508 0.872,509 0.933,510 0.876,511 0.497,512 0.904,513 1.017,514 1.101,515 0.958,516 1.136,517 0.768,518 1.047,519 1.644,520 1.083,521 1.098,522 1.047,523 1.691,524 1.015,525 1.717,526 0.809,527 1.053,528 0.725,529 1.728,530 0.786,531 0.892,532 1.356,533 1.195,534 1.372,535 0.985,536 1.343,537 0.918,538 1.041,539 1.076,540 1.088,541 1.115,542 1.105,543 0.914,544 0.966,545 1.188,546 1.12,547 1.003,548 1.2,549 3.5,550 0.017,551 1.556,552 0.875,553 0.622,554 0.375,555 0.305,556 0.193,557 0.094,558 0.04,559 2095,560 5109,561 1.869,562 54.1,564 14,567 1,569 5,572 1.568,573 1.729,574 3.097,575 -0.256,577 1,578 1,579 1,582 54.205,583 1.465,584 3.085,585 4.175,586 4.662,587 4.662,588 4.662,589 2.542,590 3.852,591 4.054,592 3.182,593 432.712,594 6.852,595 4029.02,596 1,597 1,599 1,600 192.75,601 1.468,602 3.999,603 0.206,604 0.006,605 0.074,606 0.042,607 0.035,608 0.022,609 0.02,610 0.018,611 0.013,612 0.008,613 0.443,614 0.67,615 1,616 2.062,617 71.634,618 -0.013,619 -0.326,620 0.035,621 -0.18,622 -0.04,623 -0.081,624 0.289,625 0.282,626 0.08,627 0.135,628 0.195,629 0.092,630 -0.038,631 -0.05,632 0.022,633 -0.084,634 0.031,635 -0.023,636 -0.176,637 -0.159,638 -0.063,639 -0.072,640 -0.108,641 -0.058,642 -0.25,643 0.122,644 -0.008,645 0.2,646 -0.175,647 0.139,648 -0.003,649 -0.232,650 -0.227,651 -0.27,652 -0.076,653 -0.287,654 -0.09,655 -0.084,656 -0.132,657 -0.106,658 -0.124,659 -0.123,660 0.022,661 -0.034,662 -0.233,663 -0.164,664 -0.05,665 -0.24,666 1.988,667 4.56,668 0.353,669 12.678,670 0.995,671 1.139,672 1.855,673 3.44,674 0.615,675 2.89,676 3.091,677 3.219,678 3.296,679 3.401,680 3.332,681 3.296,682 3.219,683 2.996,684 2.485,685 4.968,686 0.573,687 236.35,688 2.89,689 4.344,690 5.118,691 5.927,692 6.725,693 7.544,694 8.35,695 9.173,696 9.983,697 10.809,698 5.4,700 1,705 1,715 4,720 2,722 6,737 1,741 37,743 7,744 1,745 17,747 37,748 13,749 6,750 2,751 4,756 1,757 1,763 1,770 1,772 7,773 6,777 1,782 1,786 1,790 1,793 20,794 4,795 1,796 4,802 2,808 1,809 2,829 1,853 1,859 1,864 3,868 17,876 3,877 1,878 1,881 1,893 5.4,896 1,898 1,901 9.833,902 7.367,903 4.111,904 2.281,907 1.262,908 1.228,909 0.896,910 5.841,911 6.792,912 3.091,913 3.512,914 3.897,915 4.306,916 4.726,917 4.713,918 4.808,919 4.941,920 4.66,921 4.067,922 0.833,923 21,924 6.267,926 2.392,927 0.026,929 7.765,931 11.975,933 8.777,936 2.265,937 38.5,938 0.002,941 223.651,942 85.46,943 21.135,945 36.145,948 85.46,949 259.796,950 21.135,951 25.618,952 9.87,953 55.916,954 25.145,955 19.429,956 6.763,957 223.651,959 223.651,960 106.595,961 36.145,964 164.795,965 95,968 36.706,969 69.889,972 223.651,973 57.28,974 85.46,977 223.651,978 21.937,979 66.647,980 18.011,981 36.145,982 223.651,983 57.28,984 85.46,986 0.547,987 0.311,988 0.146,989 0.077,990 7,991 4,992 0.162,993 6,995 1,996 2.908,997 101.251,999 6,1000 67.487,1005 13.843,1006 7.173,1007 4.651,1009 57.28,1010 7.626,1015 1.757,1017 18.011,1018 366.391,1019 21,1024 11.56,1028 -0.321,1031 36.811,1032 42.152,1034 0.281,1035 0.592,1036 0.801,1037 0.895,1038 0.895,1039 0.895,1040 4.256,1041 0.175,1042 5.056,1043 0.441,1044 3.761,1045 4.19,1046 2.351,1047 5.74,1048 3.666,1049 5.39,1050 -0.244,1051 6.547,1052 0.239,1053 3.219,1054 3.829,1055 1.847,1056 6.418,1057 3.061,1058 6.64,1059 -0.633,1060 8.137,1061 -0.583,1062 5.231,1063 6.176,1064 3.529,1065 9.415,1066 5.035,1067 7.925,1068 -1,1069 9.781,1070 -1.294,1071 5.485,1072 6.572,1073 3.656,1074 10.853,1075 5.213,1076 9.24,1077 -1.218,1078 11.46,1079 -2.408,1080 6.957,1081 8.444,1082 4.956,1083 13.343,1084 6.661,1085 10.574,1086 -1.307,1087 13.16,1088 -2.67,1089 7.588,1090 9.193,1091 5.37,1092 15.104,1093 7.211,1094 11.923,1095 -1.578,1096 14.874,1097 -2.852,1098 8.82,1099 10.848,1100 6.458,1101 17.387,1102 8.419,1103 2.807,1104 -1.812,1105 16.599,1106 -4.298,1107 9.638,1108 11.792,1109 7.028,1110 19.306,1111 9.158,1112 2.576,1113 8.275,1114 18.331,1115 -4.696,1116 10.757,1117 13.325,1118 7.994,1119 21.493,1120 10.248,1121 2.058,1122 7.431,1123 20.069,1124 3.687,1125 11.67,1126 14.389,1127 8.654,1128 23.495,1129 11.086,1130 1.453,1131 5.848,1132 21.811,1133 3.061,1134 12.735,1135 15.846,1136 9.549,1137 25.637,1138 12.116,1139 1.257,1140 3.03,1141 23.557,1142 2.545,1143 13.697,1144 16.989,1145 10.263,1146 27.683,1147 13.009,1148 1.129,1149 2.623,1150 25.306,1151 1.788,1152 14.736,1153 18.396,1154 11.116,1155 29.804,1156 14.007,1157 0.274,1158 2.421,1159 27.058,1160 1.431,1161 15.725,1162 19.591,1163 11.862,1164 31.875,1165 14.931,1166 2312,1167 3706,1168 10.633,1169 22.773,1170 23.321,1171 24.29,1172 25.138,1173 23.477,1174 23.458,1175 28.812,1176 6.786,1177 60.614,1178 22.355,1179 4.974,1180 5.773,1181 5.788,1182 4.805,1183 4.807,1184 6.687,1185 3.912,1186 14.305,1187 4.659,1188 9.918,1189 1.372,1190 1.429,1191 1.479,1192 1.381,1193 1.38,1194 1.695,1195 0.399,1196 3.566,1197 1.315,1198 3.942,1199 3.969,1200 3.879,1201 3.864,1202 7.433,1203 3.863,1204 3.676,1205 3.744,1206 3.572,1207 3.435,1208 4.813,1209 3.453,1210 3.543,1211 3.631,1212 3.377,1213 3.334,1214 4.346,1215 3.332,1216 3.231,1217 3.297,1218 3.07,1219 2.977,1220 4.269,1221 2.988,1222 3.12,1223 3.219,1224 2.897,1225 2.917,1226 4.088,1227 2.899,1228 2.992,1229 3.048,1230 2.76,1231 2.762,1232 3.75,1233 2.755,1234 2.756,1235 2.823,1236 2.593,1237 2.554,1238 3.734,1239 2.551,1240 2.669,1241 2.743,1242 2.446,1243 2.474,1244 3.342,1245 2.469,1246 0.242,1247 0.222,1248 0.348,1249 0.221,1250 0.165,1251 4.115,1252 0.217,1253 3.773,1254 0.13,1255 5.924,1256 0.487,1257 3.749,1258 0.156,1259 2.807,1260 3.687,1261 2.208,1262 8.275,1263 2.659,1264 1.915,1265 1.891,1266 2.04,1267 2.019,1268 1.232,1269 2.025,1270 1.607,1271 1.534,1272 1.874,1273 1.869,1274 1.039,1275 1.87,1276 1.513,1277 1.43,1278 1.782,1279 1.762,1280 0.902,1281 1.775,1282 1.192,1283 1.113,1284 1.568,1285 1.477,1286 0.623,1287 1.508,1288 1.145,1289 1.046,1290 1.515,1291 1.391,1292 0.611,1293 1.438,1294 0.928,1295 0.883,1296 1.149,1297 1.233,1298 0.222,1299 1.202,1300 0.751,1301 0.68,1302 1.08,1303 0.982,1304 0.169,1305 1.022,1306 0.652,1307 0.595,1308 1,1309 0.908,1310 0.128,1311 0.938,1312 3.555,1314 4.779,1316 6.196,1318 7.699,1320 9.246,1322 5.54,1328 2.468,1329 3.088,1330 5.254,1333 1.528,1340 21.214,1341 54.205,1342 114.146,1343 154.485,1344 172.485,1345 172.485,1346 172.485,1347 30.573,1348 5.529,1349 41.57,1350 41.57,1351 6,1352 11.389,1353 3,1354 2.322,1355 38.11,1356 49,1357 54,1358 0.388,1359 137.949,1360 239.22,1361 328.355,1362 1312,1364 12.673,1365 0.745,1366 0.629,1367 12.673,1368 10.694,1369 8.168,1370 0.48,1371 0.343,1372 5.732,1373 7.776,1374 5.485,1375 4.684,1376 8.168,1377 5.835,1378 6.639,1379 0.316,1380 0.185,1381 6.639,1382 3.883,1383 5.178,1384 0.216,1385 0.106,1386 5.178,1387 2.553,1388 3.532,1389 0.136,1390 0.052,1391 3.532,1392 1.342,1393 2.558,1394 0.088,1395 0.029,1396 2.558,1397 0.849,1398 0.602,1399 51.666,1400 0.307,1401 17.419,1402 1.069,1403 76,1404 241.449,1405 85.889,1406 227.706,1407 301.46,1408 212,1409 83,1410 213.219,1411 92.144,1412 215.292,1413 307.66,1414 199,1415 4.684}
{0 CHEMBL151387,1 1.496,2 7.235,3 1.786,4 3.191,5 66.469,6 6.695,7 0.333,8 3.634,9 3.767,10 3.1,11 3.11,12 4.689,13 3.081,14 4.19,15 4.39,16 3.45,17 3.509,18 5.228,19 3.448,20 4.43,21 4.637,22 3.467,23 3.662,24 5.438,25 3.563,26 4.547,27 4.809,28 3.24,29 3.535,30 5.519,31 3.405,32 4.201,33 4.454,34 3.09,35 3.29,36 5.17,37 3.181,38 4.019,39 4.242,40 2.942,41 3.131,42 5.062,43 3.025,44 3.991,45 4.256,46 2.697,47 2.993,48 4.9,49 2.861,50 3.769,51 4.018,52 2.548,53 2.819,54 4.871,55 2.679,56 0.024,57 0.495,58 8.189,59 3.19,60 7.389,61 4.518,62 0.315,63 0.766,64 15.161,65 5.292,66 24.382,67 7.709,68 0.119,69 0.913,70 19.1,71 7.022,72 24.412,73 10.009,74 0.355,75 0.859,76 22.729,77 6.879,78 52.2,79 10.078,80 0.165,81 0.664,82 15.618,83 4.954,84 25.781,85 7.422,86 0.18,87 0.56,88 12.991,89 4.15,90 23.788,91 6.102,92 0.19,93 0.505,94 12.88,95 3.759,96 24.546,97 5.706,98 0.191,99 0.427,100 10.186,101 3.085,102 30.321,103 4.661,104 20,105 25,106 0.281,107 0.612,108 0.769,109 0.827,110 0.827,111 0.827,112 2.908,113 0.971,114 -3.08,115 -3.08,116 -2.97,121 37.1,123 3,126 2,129 1,144 3,145 2,146 1,161 1,165 1,166 1,167 1,176 7,179 3,180 2,185 2,187 10,189 2,192 2,197 2,200 8,203 2,206 6,211 2,214 3,216 2,219 5,224 1,229 1,232 5,234 1,235 1,237 1,241 1,244 2,256 2,258 2,259 2,281 281,282 11.016,283 11.016,284 11.016,285 11.016,286 11.016,287 10.162,288 14.42,289 6.425,290 11.256,291 8.862,292 8.862,293 8.862,294 8.862,295 8.862,296 7.448,297 14.405,298 3.066,299 9.223,300 3.633,301 1.875,302 1.036,303 0.729,304 0.729,305 0.729,306 3.557,311 1,312 1,313 252,314 3,318 82.004,322 70.108,325 1.19,326 16.215,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 37,338 123,339 4.299,340 3.763,341 6.215,342 3.957,343 2.97,344 3.926,345 2.208,346 9.356,347 2.938,348 3.9,349 3.166,350 5.8,351 3.613,352 2.681,353 3.126,354 0.655,355 7.795,356 2.473,357 3.491,358 2.58,359 5.185,360 3.231,361 2.267,362 2.723,363 0.13,364 6.312,365 2.181,366 3.177,367 2.244,368 4.95,369 2.98,370 2.017,371 2.247,373 5.758,374 1.935,375 2.863,376 1.978,377 4.387,378 2.565,379 1.568,380 1.964,382 4.274,383 1.562,384 2.322,385 1.831,386 3.536,387 2.019,388 1.069,389 1.229,391 2.438,392 0.998,393 1.982,394 0.988,395 3.275,396 1.76,397 0.765,398 0.896,400 1.786,401 0.758,402 1.214,403 0.64,404 2.578,405 0.875,406 -0.095,407 -0.115,409 -0.231,410 -0.091,411 0.928,412 0.037,413 2.38,414 0.7,415 -0.274,416 -0.312,418 -0.712,419 -0.265,420 0.607,421 -0.192,422 2.262,423 0.251,424 -0.744,425 -0.885,427 -1.994,428 -0.731,429 0.321,430 -0.6,431 2,432 -0.016,433 -1,434 -1,436 -2,437 -0.9,439 -0.699,440 1.528,441 -0.1,442 -1,443 -1.223,445 -2.729,446 -0.981,447 -0.022,448 -0.922,449 1.346,450 -0.212,451 -1.194,452 -1.456,454 -3.421,455 -1.168,456 -0.241,457 -1.08,458 1.113,459 -0.478,460 -1.447,461 -1.786,463 -3.998,464 -1.415,465 -0.5,466 -1.271,467 1,468 -0.697,469 -1.659,470 -1.857,472 -4.697,473 -1.528,474 7.967,475 0.469,476 0.527,477 0.031,478 18.75,479 1.103,480 8,481 0.471,482 10.75,483 0.632,484 13.233,485 0.778,486 19.633,487 0.561,488 12.307,489 0.724,490 3.68,491 0.216,492 4.378,493 0.258,494 0.218,496 0.364,501 0.83,502 1.415,503 0.898,504 1.23,505 0.734,506 1.087,507 0.594,508 0.86,509 0.841,510 0.879,511 0.465,512 0.883,513 0.914,514 1.255,515 1.055,516 1.305,517 0.771,518 1.217,519 1.494,520 0.89,521 1.072,522 0.878,523 1.446,524 0.918,525 1.068,526 1.061,527 0.945,528 1.004,529 1.023,530 0.963,531 1.162,532 1.228,533 1.139,534 1.218,535 1.054,536 1.189,537 1.366,538 0.968,539 1.095,540 0.923,541 1.332,542 0.964,543 1.014,544 1.053,545 1.194,546 1.14,547 1.457,548 1.191,549 4.5,551 2,552 0.875,553 1.027,554 0.451,555 0.344,556 0.215,557 0.123,558 0.031,559 2184,560 5360,561 1.96,562 51.4,563 2,564 10,567 2,569 4,572 1.568,573 1.789,574 2.915,575 0.411,577 1,578 1,579 1,582 52.361,583 1.496,584 3.255,585 4.093,586 4.4,587 4.4,588 4.4,589 2.278,590 3.852,591 4.06,592 3.017,593 410.317,594 6.858,595 3703.35,597 1,599 1,600 179.525,601 1.549,602 3.989,603 0.25,605 0.08,606 0.036,607 0.057,608 0.028,609 0.026,610 0.022,611 0.015,612 0.008,613 0.523,614 0.83,615 1,616 1.453,617 70.252,618 -0.049,619 -0.116,620 0.038,621 -0.052,622 -0.089,623 0.003,624 0.306,625 0.296,626 0.122,627 0.18,628 0.188,629 0.137,630 -0.049,631 -0.188,632 -0.112,633 -0.232,634 0.001,635 -0.186,636 -0.196,637 -0.015,638 -0.06,639 0.058,640 -0.142,641 0.021,642 -0.07,643 -0.099,644 0.03,645 -0.032,646 -0.034,647 0.009,648 -0.021,649 -0.224,650 -0.151,651 -0.227,652 -0.065,653 -0.218,654 -0.184,655 -0.056,656 -0.094,657 -0.002,658 -0.179,659 -0.032,660 0.053,661 -0.056,662 -0.208,663 -0.206,664 0.076,665 -0.252,666 2.023,667 4.424,668 0.588,669 11.031,670 0.998,671 1.135,672 1.855,673 3.44,674 0.629,675 2.944,676 3.258,677 3.434,678 3.611,679 3.871,680 3.85,681 3.871,682 3.989,683 3.871,684 3.401,685 4.55,686 0.591,687 234.33,688 2.944,689 4.466,690 5.283,691 6.142,692 6.984,693 7.845,694 8.696,695 9.559,696 10.414,697 11.279,698 5.7,699 1,705 1,715 3,720 3,722 6,737 1,741 35,743 7,744 1,745 18,747 36,748 13,749 6,750 3,751 3,756 2,757 3,767 4,770 4,772 7,773 6,777 1,782 1,786 1,790 1,793 18,794 4,795 2,796 4,802 2,808 0.5,809 2,829 2,833 1,851 1,859 1,864 2,868 17,869 1,876 3,878 1,880 1,881 1,893 5.7,896 1,898 1,901 9.5,902 6.7,903 3.722,904 2.026,907 1.318,908 1.217,909 0.936,910 3.574,911 7.386,912 3.135,913 3.651,914 4.082,915 4.537,916 5.059,917 5.182,918 5.381,919 5.629,920 5.502,921 4.969,922 0.8,923 24,924 6.285,926 2.589,927 0.026,929 7.794,931 12.069,933 9.738,936 2.294,937 39,938 0.002,941 188.338,942 71.202,943 36.022,945 36.145,948 71.202,949 224.482,950 36.022,951 16.793,952 43.625,953 28.429,954 25.145,955 22.614,956 6.763,957 188.338,959 188.338,960 107.224,961 36.145,964 141.253,965 83.229,968 43.625,969 63.599,972 188.338,973 72.166,974 71.202,977 188.338,978 25.981,979 48.346,981 69.042,982 188.338,983 72.166,984 71.202,986 0.589,987 0.326,988 0.151,989 0.091,990 12,991 6,992 0.056,993 2,994 1,995 1.2,996 2.889,997 113.333,998 0.2,999 10,1000 67.487,1005 12.242,1006 4.963,1007 2.914,1009 72.166,1010 5.798,1015 3.112,1017 32.897,1018 331.706,1019 22,1024 11.424,1028 -0.356,1031 34.927,1032 39.737,1034 0.292,1035 0.635,1036 0.798,1037 0.858,1038 0.858,1039 0.858,1040 4.376,1041 -0.095,1042 5.283,1043 1.786,1044 3.932,1045 4.331,1046 2.32,1047 6.047,1048 3.86,1049 5.558,1050 -0.274,1051 6.825,1052 -0.231,1053 3.611,1054 4.182,1055 1.847,1056 6.849,1057 3.489,1058 6.846,1059 -0.744,1060 8.46,1061 -0.712,1062 5.493,1063 6.387,1064 3.527,1065 9.867,1066 5.355,1067 8.162,1068 -1,1069 10.143,1070 -1.994,1071 5.889,1072 6.97,1073 3.656,1074 11.416,1075 5.705,1076 9.506,1077 -1,1078 11.856,1079 -2,1080 7.307,1081 8.743,1082 4.955,1083 13.965,1084 7.116,1085 10.869,1086 -1.194,1087 13.588,1088 -2.729,1089 8.038,1090 9.674,1091 5.37,1092 15.858,1093 7.813,1094 12.246,1095 -1.447,1096 15.335,1097 -3.421,1098 9.26,1099 11.259,1100 6.458,1101 18.22,1102 9.03,1103 2.97,1104 -1.659,1105 17.093,1106 -3.998,1107 10.158,1108 12.376,1109 7.028,1110 20.284,1111 9.906,1112 2.681,1113 9.356,1114 18.859,1115 -4.697,1116 11.293,1117 13.866,1118 7.994,1119 22.566,1120 11.038,1121 2.267,1122 7.795,1123 20.634,1124 3.926,1125 12.276,1126 15.088,1127 8.654,1128 24.715,1129 12.008,1130 2.017,1131 6.312,1132 22.414,1133 3.126,1134 13.373,1135 16.526,1136 9.549,1137 26.964,1138 13.102,1139 1.568,1140 5.758,1141 24.199,1142 2.723,1143 14.401,1144 17.808,1145 10.263,1146 29.154,1147 14.121,1148 1.069,1149 4.274,1150 25.989,1151 2.247,1152 15.482,1153 19.216,1154 11.116,1155 31.391,1156 15.2,1157 0.765,1158 2.438,1159 27.783,1160 1.964,1161 16.533,1162 20.533,1163 11.862,1164 33.601,1165 16.245,1166 2280,1167 3648,1168 11.444,1169 22.012,1170 26.957,1171 28.089,1172 27.807,1173 26.715,1174 26.671,1175 32.222,1176 5.986,1177 75.44,1178 25.689,1179 5.243,1180 5.763,1181 5.58,1182 5.004,1183 4.97,1184 6.926,1185 3.912,1186 15.762,1187 4.938,1188 9.716,1189 1.498,1190 1.56,1191 1.545,1192 1.484,1193 1.482,1194 1.79,1195 0.333,1196 4.191,1197 1.427,1198 4.012,1199 4.042,1200 3.947,1201 3.944,1202 7.433,1203 3.94,1204 3.656,1205 3.712,1206 3.57,1207 3.438,1208 5.012,1209 3.449,1210 3.524,1211 3.593,1212 3.394,1213 3.314,1214 4.777,1215 3.333,1216 3.159,1217 3.239,1218 2.991,1219 3.003,1220 4.286,1221 2.986,1222 3.003,1223 3.035,1224 2.851,1225 2.738,1226 4.096,1227 2.759,1228 2.874,1229 3.009,1230 2.679,1231 2.618,1232 3.755,1233 2.615,1234 2.854,1235 2.945,1236 2.499,1237 2.604,1238 3.616,1239 2.57,1240 2.631,1241 2.694,1242 2.459,1243 2.431,1244 3.467,1245 2.435,1246 0.239,1247 0.209,1248 0.345,1249 0.22,1250 0.165,1251 4.299,1252 0.218,1253 3.763,1254 0.123,1255 6.215,1256 0.52,1257 3.957,1258 0.163,1259 2.97,1260 3.926,1261 2.208,1262 9.356,1263 2.938,1264 1.992,1265 1.965,1266 2.119,1267 2.087,1268 1.419,1269 2.098,1270 1.572,1271 1.522,1272 1.794,1273 1.841,1274 0.916,1275 1.824,1276 1.489,1277 1.412,1278 1.734,1279 1.702,1280 0.831,1281 1.716,1282 1.17,1283 1.098,1284 1.48,1285 1.392,1286 0.75,1287 1.424,1288 0.934,1289 0.854,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.894,1295 0.804,1296 1.188,1297 1.212,1298 0.281,1299 1.193,1300 0.8,1301 0.73,1302 1.057,1303 1.127,1304 0.118,1305 1.116,1306 0.601,1307 0.549,1308 0.927,1309 0.861,1311 0.89,1312 3.611,1314 4.92,1316 6.418,1318 8.004,1320 9.636,1322 3.327,1326 5.933,1328 2.908,1330 5.223,1332 0.224,1333 1.408,1340 20.687,1341 52.361,1342 113.909,1343 143.26,1344 154.015,1345 154.015,1346 154.015,1347 26.57,1348 6.068,1349 55.56,1350 55.56,1351 12,1352 11.828,1353 3,1354 2.322,1355 28.473,1356 47,1357 38,1358 0.317,1359 130.556,1360 226.86,1361 310.316,1362 2693,1364 12.414,1365 0.73,1366 0.604,1367 12.414,1368 10.272,1369 8.059,1370 0.448,1371 0.324,1372 5.735,1373 7.721,1374 5.517,1375 4.634,1376 8.059,1377 5.825,1378 7.574,1379 0.303,1380 0.188,1381 7.574,1382 4.696,1383 5.827,1384 0.194,1385 0.1,1386 5.827,1387 3.015,1388 4.238,1389 0.118,1390 0.056,1391 4.238,1392 2.017,1393 3.633,1394 0.077,1395 0.033,1396 3.633,1397 1.529,1398 0.483,1399 50.778,1400 0.296,1401 17.054,1402 0.901,1403 86,1404 248.428,1405 95.529,1406 237.219,1407 317.31,1408 220,1409 98,1410 229.656,1411 106.811,1412 233.774,1413 336.69,1414 216,1415 5.489}
{0 CHEMBL151388,1 1.465,2 7.833,3 2.27,4 5.153,5 71.063,6 6.536,7 0.316,8 3.708,9 3.843,10 3.152,11 3.186,12 4.733,13 3.149,14 4.273,15 4.476,16 3.496,17 3.58,18 5.281,19 3.508,20 4.527,21 4.755,22 3.559,23 3.733,24 5.475,25 3.638,26 4.596,27 4.831,28 3.402,29 3.647,30 5.635,31 3.532,32 4.459,33 4.729,34 3.192,35 3.431,36 5.452,37 3.309,38 4.135,39 4.369,40 2.979,41 3.232,42 5.07,43 3.119,44 4.054,45 4.304,46 2.925,47 3.158,48 5.089,49 3.028,50 4.015,51 4.271,52 2.704,53 3.063,54 4.976,55 2.924,56 0.031,57 0.533,58 9.053,59 3.526,60 7.558,61 5.035,62 0.317,63 0.83,64 16.619,65 5.818,66 25.048,67 8.564,68 0.159,69 0.994,70 21.331,71 7.492,72 23.21,73 10.954,74 0.303,75 0.955,76 23.54,77 7.299,78 50.135,79 10.705,80 0.351,81 0.787,82 20.72,83 5.992,84 47.126,85 9.051,86 0.192,87 0.611,88 14.696,89 4.68,90 23.38,91 6.84,92 0.196,93 0.58,94 13.408,95 4.459,96 29.978,97 6.607,98 0.2,99 0.544,100 13.082,101 3.743,102 28.956,103 5.827,104 21,105 26,106 0.27,107 0.608,108 0.83,109 0.873,110 0.873,111 0.873,112 2.96,113 1.015,114 -3.35,115 -3.33,116 -3.19,121 36.8,122 1,123 3,126 1,127 1,129 1,144 3,145 2,146 1,161 1,165 1,166 1,167 1,176 7,179 3,180 3,185 2,187 9,189 2,192 2,197 3,200 8,203 3,206 7,211 2,214 3,216 2,219 6,221 1,222 1,224 1,227 1,229 1,232 3,239 2,244 4,246 2,247 2,251 2,256 2,264 1,274 1,277 2,279 1,281 344,282 11.939,283 11.939,284 11.939,285 11.939,286 11.939,287 11.109,288 17.214,289 6.949,290 12.211,291 9.266,292 9.266,293 9.266,294 9.266,295 9.266,296 7.87,297 20.613,298 3.189,299 9.647,300 3.783,301 1.95,302 0.744,303 0.513,304 0.513,305 0.513,306 3.612,310 1,311 1,312 1,313 289,314 3.162,318 88.98,322 76.084,325 1.204,326 17.153,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 39,338 141,339 4.353,340 3.774,341 6.479,342 4.036,343 3.048,344 3.964,345 2.208,346 10.069,347 3.014,348 3.934,349 3.289,350 5.908,351 3.66,352 2.731,353 3.153,354 0.655,355 8.121,356 2.514,357 3.511,358 2.597,359 5.234,360 3.197,361 2.247,362 2.757,363 0.522,364 6.495,365 2.132,366 3.165,367 2.277,368 5.028,369 2.944,370 1.963,371 2.299,372 0.13,373 5.685,374 1.922,375 2.596,376 2.134,377 4.064,378 2.431,379 1.442,380 1.607,382 3.506,383 1.423,384 2.516,385 1.5,386 3.835,387 2.214,388 1.24,389 1.452,391 2.882,392 1.189,393 2.179,394 1.011,395 3.364,396 1.904,397 0.914,398 1.122,400 2.126,401 0.903,402 1.328,403 0.761,404 2.77,405 1.155,406 0.205,407 0.212,409 0.323,410 0.193,411 1.193,412 0.394,413 2.397,414 0.98,420 0.79,421 0.109,422 2.271,423 0.573,424 -0.404,425 -0.456,427 -0.951,428 -0.39,429 0.672,430 -0.401,431 2.166,432 0.315,433 -0.68,434 -0.832,436 -1.827,437 -0.672,438 0.456,439 -0.559,440 1.809,441 0.071,442 -0.919,443 -1.179,445 -2.548,446 -0.903,447 -0.157,448 -0.847,449 1.443,450 -0.341,451 -1.295,452 -1.366,454 -2.834,455 -1.223,456 -0.292,457 -1.033,458 1.275,459 -0.408,460 -1.371,461 -1.54,463 -3.553,464 -1.323,465 -0.42,466 -1.231,467 1.259,468 -0.564,469 -1.519,470 -1.821,472 -4.112,473 -1.445,474 8.467,475 0.47,476 0.473,477 0.026,478 19.25,479 1.069,480 8,481 0.444,482 11.25,483 0.625,484 15.063,485 0.837,486 20.933,487 0.551,488 12.697,489 0.705,490 3.623,491 0.201,492 4.99,493 0.277,494 0.205,496 0.343,501 0.828,502 1.422,503 0.926,504 1.249,505 0.736,506 1.113,507 0.576,508 0.981,509 0.867,510 0.967,511 0.463,512 0.951,513 0.92,514 1.13,515 0.935,516 1.118,517 0.709,518 1.037,519 1.544,520 1.142,521 1.18,522 1.115,523 1.523,524 1.107,525 1.441,526 0.846,527 1.024,528 0.834,529 1.471,530 0.867,531 1.477,532 1.066,533 1.147,534 1.042,535 1.127,536 1.054,537 0.855,538 1.074,539 0.991,540 1.104,541 0.994,542 1.082,543 1.477,544 1.014,545 1.279,546 0.975,547 2.005,548 1.074,549 4,550 0.012,551 2.444,552 1.125,553 1.067,554 0.375,555 0.344,556 0.262,557 0.119,558 0.041,559 2541,560 5781,561 1.963,562 52.6,563 4,564 9,567 2,569 5,572 1.586,573 1.8,574 2.985,575 0.374,577 1,578 1,579 1,582 55.68,583 1.465,584 3.298,585 4.504,586 4.735,587 4.735,588 4.735,589 2.441,590 3.725,591 4.143,592 3.079,593 471.113,594 7.029,595 4435.03,596 1,597 1,599 1,600 199.421,601 1.53,602 4.076,603 0.211,604 0.012,605 0.094,606 0.042,607 0.051,608 0.022,609 0.025,610 0.02,611 0.012,612 0.008,613 0.496,614 0.83,615 1,616 1.641,617 76.162,618 -0.04,619 -0.109,620 0.038,621 -0.049,622 -0.082,623 0.002,624 0.323,625 0.176,626 0.11,627 0.103,628 0.189,629 0.082,630 -0.026,631 -0.075,632 0.03,633 -0.072,634 0.037,635 -0.016,636 -0.19,637 -0.183,638 -0.161,639 -0.143,640 -0.136,641 -0.151,642 -0.094,643 0.057,645 0.073,646 -0.094,647 0.052,648 -0.194,649 -0.094,650 -0.137,651 -0.056,652 -0.155,653 -0.087,654 0.117,655 -0.083,656 -0.018,657 -0.117,658 0.12,659 -0.101,660 -0.273,661 -0.02,662 -0.27,663 -0.052,664 -0.264,665 -0.146,666 1.998,667 4.666,668 0.556,669 12,670 0.995,671 1.136,672 2.118,673 4.488,674 0.626,675 2.996,676 3.296,677 3.526,678 3.689,679 3.892,680 3.871,681 3.951,682 3.989,683 3.97,684 3.555,685 4.723,686 0.585,687 248.36,688 2.996,689 4.511,690 5.342,691 6.201,692 7.052,693 7.915,694 8.774,695 9.64,696 10.503,697 11.371,698 5.3,699 1,705 1,715 3,720 3,722 6,737 1,741 38,743 7,744 1,745 19,747 39,748 14,749 6,750 3,751 3,756 2,757 3,763 1,767 4,770 4,772 7,773 7,777 1,782 1,786 1,790 1,793 20,794 4,795 2,796 4,802 2,808 0.5,809 2,829 2,833 1,851 1,859 1,864 2,868 18,869 1,876 4,878 1,880 1,881 1,893 5.3,896 1,898 1,901 10,902 7.2,903 4.083,904 2.468,907 1.305,908 1.212,909 0.933,910 4.122,911 7.468,912 3.178,913 3.676,914 4.147,915 4.599,916 5.081,917 5.201,918 5.456,919 5.589,920 5.587,921 5.089,922 1,923 27,924 6.675,926 2.746,927 0.026,929 7.75,931 12.886,933 10.391,936 2.25,937 40.5,938 0.002,941 211.88,942 73.737,943 36.022,945 36.145,948 73.737,949 248.025,950 36.022,951 17.222,952 45.731,953 28.429,954 25.145,955 22.614,956 6.763,957 211.88,959 211.88,960 109.758,961 36.145,964 153.024,965 95,968 54.556,969 55.202,972 211.88,973 72.166,974 73.737,977 211.88,978 28.086,979 48.775,981 69.042,982 211.88,983 72.166,984 73.737,986 0.579,987 0.345,988 0.164,989 0.085,990 12,991 6,992 0.077,993 3,994 1,995 1.2,996 2.972,997 123.054,998 0.2,999 10,1000 75.059,1005 13.217,1006 5.613,1007 2.98,1009 72.166,1010 5.766,1015 2.972,1017 32.897,1018 357.783,1019 23,1024 11.666,1028 -0.332,1031 37.811,1032 43.152,1034 0.279,1035 0.628,1036 0.858,1037 0.902,1038 0.902,1039 0.902,1040 4.413,1041 0.205,1042 5.333,1043 2.126,1044 3.97,1045 4.357,1046 2.372,1047 6.12,1048 3.897,1049 5.584,1051 6.891,1052 0.323,1053 3.611,1054 4.182,1055 1.847,1056 7.002,1057 3.489,1058 6.875,1059 -0.404,1060 8.547,1062 5.549,1063 6.417,1064 3.532,1065 10.057,1066 5.406,1067 8.197,1068 -0.68,1069 10.258,1070 -0.951,1071 5.969,1072 7.018,1073 3.656,1074 11.728,1075 5.783,1076 9.552,1077 -0.919,1078 12.003,1079 -1.827,1080 7.404,1081 8.791,1082 4.956,1083 14.31,1084 7.208,1085 10.927,1086 -1.295,1087 13.772,1088 -2.548,1089 8.181,1090 9.748,1091 5.37,1092 16.324,1093 7.955,1094 12.318,1095 -1.371,1096 15.557,1097 -2.834,1098 9.414,1099 11.329,1100 6.458,1101 18.732,1102 9.181,1103 3.048,1104 -1.519,1105 17.355,1106 -3.553,1107 10.358,1108 12.471,1109 7.028,1110 20.903,1111 10.108,1112 2.731,1113 10.069,1114 19.163,1115 -4.112,1116 11.508,1117 13.957,1118 7.994,1119 23.244,1120 11.253,1121 2.247,1122 8.121,1123 20.979,1124 3.964,1125 12.532,1126 15.2,1127 8.654,1128 25.487,1129 12.267,1130 1.963,1131 6.495,1132 22.802,1133 3.153,1134 13.649,1135 16.638,1136 9.549,1137 27.803,1138 13.379,1139 1.442,1140 5.685,1141 24.631,1142 2.757,1143 14.712,1144 17.938,1145 10.263,1146 30.08,1147 14.436,1148 1.24,1149 3.506,1150 26.464,1151 2.299,1152 15.817,1153 19.349,1154 11.116,1155 32.388,1156 15.537,1157 0.914,1158 2.882,1159 28.302,1160 1.607,1161 16.899,1162 20.681,1163 11.862,1164 34.68,1165 16.615,1166 2648,1167 4081,1168 12.137,1169 23.773,1170 27.798,1171 28.765,1172 29.577,1173 27.611,1174 27.579,1175 33.13,1176 7.029,1177 78.416,1178 26.58,1179 5.299,1180 5.774,1181 6.024,1182 5.095,1183 5.048,1184 6.964,1185 3.912,1186 16.753,1187 5.014,1188 10.033,1189 1.463,1190 1.514,1191 1.557,1192 1.453,1193 1.452,1194 1.744,1195 0.37,1196 4.127,1197 1.399,1198 4.015,1199 4.044,1200 3.952,1201 3.945,1202 7.433,1203 3.942,1204 3.693,1205 3.756,1206 3.598,1207 3.457,1208 5.029,1209 3.476,1210 3.526,1211 3.583,1212 3.386,1213 3.387,1214 4.745,1215 3.378,1216 3.23,1217 3.315,1218 3.069,1219 3.036,1220 4.279,1221 3.031,1222 3.191,1223 3.278,1224 3.003,1225 2.951,1226 4.126,1227 2.952,1228 2.975,1229 3.029,1230 2.738,1231 2.711,1232 3.822,1233 2.714,1234 2.743,1235 2.833,1236 2.567,1237 2.573,1238 3.728,1239 2.558,1240 2.722,1241 2.802,1242 2.537,1243 2.484,1244 3.57,1245 2.496,1246 0.229,1247 0.199,1248 0.341,1249 0.212,1250 0.16,1251 4.353,1252 0.209,1253 3.774,1254 0.116,1255 6.479,1256 0.53,1257 4.036,1258 0.159,1259 3.048,1260 3.964,1261 2.208,1262 10.069,1263 3.014,1264 1.992,1265 1.966,1266 2.119,1267 2.088,1268 1.42,1269 2.099,1270 1.616,1271 1.552,1272 1.875,1273 1.878,1274 1.039,1275 1.875,1276 1.527,1277 1.467,1278 1.745,1279 1.694,1280 0.928,1281 1.713,1282 1.208,1283 1.133,1284 1.567,1285 1.474,1286 0.719,1287 1.504,1288 1.179,1289 1.089,1290 1.495,1291 1.455,1292 0.623,1293 1.481,1294 0.888,1295 0.844,1296 1.157,1297 1.219,1298 0.281,1299 1.188,1300 0.752,1301 0.678,1302 1.078,1303 1.029,1304 0.139,1305 1.052,1306 0.687,1307 0.613,1308 1.026,1309 0.95,1310 0.111,1311 0.994,1312 3.664,1314 4.963,1316 6.469,1318 8.068,1320 9.715,1322 3.622,1326 6.081,1328 3.82,1330 5.313,1332 0.066,1333 1.527,1340 22.214,1341 55.68,1342 125.308,1343 171.157,1344 179.911,1345 179.911,1346 179.911,1347 30.305,1348 6.163,1349 55.56,1350 55.56,1351 12,1352 11.917,1353 3,1354 2.322,1355 31.022,1356 51,1357 50,1358 0.312,1359 140.148,1360 244.16,1361 333.721,1362 3073,1364 13.121,1365 0.729,1366 0.61,1367 13.121,1368 10.979,1369 8.613,1370 0.453,1371 0.338,1372 6.342,1373 8.277,1374 6.137,1375 5.141,1376 8.613,1377 6.428,1378 7.61,1379 0.293,1380 0.182,1381 7.61,1382 4.741,1383 6.442,1384 0.195,1385 0.105,1386 6.442,1387 3.469,1388 4.705,1389 0.121,1390 0.056,1391 4.705,1392 2.185,1393 3.667,1394 0.076,1395 0.032,1396 3.667,1397 1.527,1398 0.477,1399 54.022,1400 0.287,1401 17.977,1402 0.885,1403 90,1404 252.428,1405 99.862,1406 240.488,1407 325.37,1408 224,1409 104,1410 239.008,1411 113.144,1412 240.617,1413 351,1414 225,1415 5.206}
{0 CHEMBL151507,1 1.509,2 7.8,3 2.704,4 7.313,5 60.619,6 6.655,7 0.333,8 3.498,9 3.642,10 2.949,11 2.92,12 4.687,13 2.89,14 3.982,15 4.213,16 3.141,17 3.243,18 4.89,19 3.172,20 4.178,21 4.431,22 3.122,23 3.376,24 5.057,25 3.25,26 4.262,27 4.532,28 3.076,29 3.363,30 5.158,31 3.212,32 4.212,33 4.505,34 2.945,35 3.206,36 5.164,37 3.075,38 4.061,39 4.327,40 2.642,41 3.058,42 5.043,43 2.898,44 3.881,45 4.202,46 2.453,47 2.847,48 4.751,49 2.673,50 3.507,51 3.798,52 2.208,53 2.522,54 4.597,55 2.374,56 0.08,57 0.443,58 7.289,59 2.4,60 15.596,61 3.754,62 0.137,63 0.646,64 12.258,65 3.541,66 12.534,67 5.847,68 0.173,69 0.719,70 14.936,71 5.001,72 18.895,73 7.676,74 0.229,75 0.732,76 16.448,77 4.979,78 22.889,79 8.135,80 0.186,81 0.631,82 15.961,83 4.236,84 28.994,85 7.067,86 0.211,87 0.518,88 13.784,89 4.018,90 36.504,91 6.169,92 0.148,93 0.422,94 11.421,95 3.311,96 22.148,97 5.344,98 0.094,99 0.295,100 7.753,101 2.304,102 20.772,103 3.627,104 21,105 18,106 0.291,107 0.651,108 0.826,109 0.863,110 0.875,111 0.875,112 2.791,113 1.009,114 -2.55,115 -2.57,116 -2.51,121 35.5,123 3,126 1,127 1,142 1,143 1,147 1,153 1,157 1,163 1,172 1,176 4,182 1,187 3,189 1,191 1,194 1,200 2,203 1,206 1,209 1,213 1,214 1,216 1,219 2,229 1,232 2,237 1,241 1,244 2,249 1,256 2,261 1,269 1,274 1,281 259,282 10.259,283 10.259,284 10.259,285 10.259,286 10.259,287 9.032,288 12.217,289 6.627,290 10.54,291 7.336,292 7.336,293 7.336,294 7.336,295 7.336,296 5.668,297 12.012,298 3.012,299 7.745,300 3.445,301 1.574,302 0.67,303 0.476,304 0.411,305 0.411,306 3.414,311 1,312 1,313 226,314 2.915,317 46.111,325 1.173,326 7.777,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 32.5,338 117,339 4.398,340 3.631,341 6.47,342 3.943,343 3.024,344 4.086,345 1.697,346 10.003,347 2.777,348 3.5,349 3.067,350 4.954,351 2.906,352 1.96,353 2.349,355 5.426,356 1.862,357 3.176,358 2.422,359 4.115,360 2.624,361 1.659,362 2.129,364 3.622,365 1.59,366 3.041,367 2.069,368 3.711,369 2.472,370 1.521,371 2.088,373 3.298,374 1.442,375 2.506,376 1.47,377 3.16,378 2.011,379 1.026,380 1.315,382 1.91,383 1.009,384 2.359,385 1.23,386 3.04,387 1.814,388 0.857,389 1.204,391 1.536,392 0.818,393 1.647,394 0.677,395 2.355,396 1.248,397 0.271,398 0.331,400 0.457,401 0.264,402 1.016,403 0.275,404 2,405 0.791,406 -0.189,407 -0.221,409 -0.314,410 -0.185,411 0.546,412 -0.233,413 1.83,414 0.227,415 -0.742,416 -0.942,418 -1.27,419 -0.716,420 0.385,421 -0.57,422 1.451,423 0.036,424 -0.891,425 -1.096,427 -1.75,428 -0.824,429 0.028,430 -0.991,431 1.327,432 -0.35,433 -1.298,434 -1.643,436 -2.89,437 -1.234,438 -0.313,439 -1.373,440 0.753,441 -0.667,442 -1.635,443 -2.104,445 -3.476,446 -1.553,447 -0.412,448 -1.633,449 0.53,450 -0.79,451 -1.709,452 -2.251,454 -4.632,455 -1.581,456 -0.518,457 -1.787,458 0.241,459 -0.948,460 -1.892,461 -2.537,463 -5.423,464 -1.789,465 -0.861,466 -1.874,467 0.064,468 -1.015,469 -1.961,470 -2.707,471 -1.697,472 -6.497,473 -1.879,474 7.033,475 0.469,476 0.209,477 0.014,478 16,479 1.067,480 6.5,481 0.433,482 9.5,483 0.633,484 10.564,485 0.704,486 17.267,487 0.557,488 9.887,489 0.659,490 3.429,491 0.229,492 3.862,493 0.257,494 0.19,496 0.185,501 0.828,502 1.666,503 0.933,504 1.295,505 0.781,506 1.159,507 0.911,508 1.108,509 1.003,510 0.978,511 0.443,512 0.978,513 0.692,514 0.987,515 0.999,516 1.078,517 0.637,518 1.081,519 0.582,520 1.163,521 1.024,522 1.167,523 0.592,524 1.154,525 1.126,526 0.882,527 1.003,528 0.924,529 0.942,530 0.923,531 1.653,532 0.958,533 1.239,534 1.021,535 1.867,536 1.09,537 0.95,538 0.684,539 0.823,540 0.711,541 0.918,542 0.744,543 1.125,544 0.881,545 0.906,546 0.885,547 1.429,548 0.878,549 2,551 1.556,552 1.042,553 0.49,554 0.271,555 0.137,556 0.103,557 0.081,558 0.02,559 1490,560 4318,561 1.888,562 51.6,563 4,564 5,565 2,566 2,567 1,569 2,572 1.528,573 1.765,574 2.954,575 -0.2,577 1,579 1,582 46.771,583 1.509,584 3.38,585 4.285,586 4.478,587 4.543,588 4.543,589 2.473,590 3.774,591 3.868,592 3.07,593 322.344,594 6.476,595 2732.94,597 1,600 153.58,601 1.371,602 3.831,603 0.133,605 0.086,606 0.061,607 0.033,608 0.021,609 0.015,610 0.013,611 0.013,612 0.007,613 0.383,614 0.67,615 1,616 2.281,617 60.054,618 0.159,619 -0.365,620 0.036,621 -0.143,622 0.11,623 -0.092,624 -0.078,625 0.062,626 -0.037,627 0.024,628 0.007,629 0.006,630 0.036,631 0.068,632 -0.063,633 -0.051,634 -0.036,635 -0.073,636 0.166,637 -0.164,638 -0.083,639 -0.187,640 0.014,641 -0.174,642 -0.105,643 0.047,644 -0.02,645 -0.025,646 -0.013,647 0.002,648 -0.279,649 -0.084,650 -0.239,651 -0.072,652 -0.328,653 -0.149,654 -0.05,655 0.133,656 0.138,657 0.198,658 0.005,659 0.199,660 -0.072,661 -0.036,662 0.067,663 0.057,664 -0.055,665 0.077,666 0.793,667 2.513,668 0.333,669 11.12,670 0.996,671 1.142,672 1.316,673 1.732,674 0.626,675 2.773,676 2.944,677 3.135,678 3.296,679 3.219,680 3.045,681 2.944,682 2.773,683 2.485,684 2.079,685 4.627,686 0.587,687 206.3,688 2.773,689 4.205,690 4.99,691 5.808,692 6.629,693 7.465,694 8.301,695 9.144,696 9.988,697 10.836,698 9.7,706 1,707 1,708 1,715 2,720 1,721 2,722 5,726 1,741 31,743 7,745 15,747 31,748 11,749 3,752 1,756 1,757 1,770 3,771 2,772 4,773 5,777 1,784 1,785 1,790 1,793 16,794 2,795 1,796 4,799 1,802 3,803 1,808 1,809 1,828 1,836 1,837 1,857 1,859 1,864 1,868 15,875 1,876 4,885 1,886 1,891 1,893 3.2,898 1,901 8.5,902 5.683,903 3.722,904 1.847,907 1.399,908 1.265,909 0.878,910 4.921,911 6.688,912 3.068,913 3.474,914 3.939,915 4.429,916 4.48,917 4.447,918 4.501,919 4.418,920 4.367,921 4.328,922 1,923 17,924 5.45,925 -0.001,926 2.054,927 0.026,929 7.844,931 10.401,933 7.697,934 -0.001,936 2.344,937 35.167,938 0.003,941 176.567,942 87.928,943 17.046,945 42.806,948 87.928,949 219.372,950 17.046,951 8.396,952 9.709,953 9.047,954 36.817,955 67,956 63.894,957 129.482,959 176.567,960 104.973,961 42.806,964 153.024,965 66.348,968 36.231,969 40.765,970 27.977,972 176.567,973 59.851,974 87.928,977 176.567,978 12.037,979 39.337,980 17.031,981 79.374,982 176.567,983 59.851,984 87.928,986 0.529,987 0.307,988 0.17,989 0.086,990 6,991 3,992 0.161,993 5,995 1,996 2.757,997 83.632,999 5,1000 58.603,1005 11.8,1006 6.256,1007 3.409,1009 56.053,1010 3.894,1015 0.873,1016 3.942,1017 42.806,1018 324.346,1019 20.5,1026 1.432,1027 3.045,1031 30.876,1032 35.403,1034 0.305,1035 0.682,1036 0.865,1037 0.904,1038 0.917,1039 0.917,1040 4.238,1041 -0.189,1042 4.905,1043 0.457,1044 3.611,1045 4.151,1046 1.911,1047 5.631,1048 3.495,1049 5.407,1050 -0.742,1051 6.409,1052 -0.314,1053 2.944,1054 3.726,1056 6.475,1057 2.682,1058 6.675,1059 -0.891,1060 8.034,1061 -1.27,1062 5.081,1063 6.224,1064 2.867,1065 9.583,1066 4.809,1067 7.986,1068 -1.298,1069 9.736,1070 -1.75,1071 5.398,1072 6.843,1074 11.371,1075 4.958,1076 9.336,1077 -1.635,1078 11.489,1079 -2.89,1080 6.917,1081 8.684,1082 3.887,1083 13.95,1084 6.459,1085 10.715,1086 -1.709,1087 13.277,1088 -3.476,1089 7.696,1090 9.772,1092 16.066,1093 7.09,1094 12.117,1095 -1.892,1096 15.088,1097 -4.632,1098 8.963,1099 11.352,1100 4.932,1101 18.471,1102 8.315,1103 3.024,1104 -1.961,1105 16.916,1106 -5.423,1107 9.94,1108 12.634,1110 20.704,1111 9.169,1112 1.96,1113 10.003,1114 18.754,1115 -6.497,1116 11.109,1117 14.111,1118 5.985,1119 23.047,1120 10.276,1121 1.659,1122 5.426,1123 20.6,1124 4.086,1125 12.164,1126 15.469,1128 25.323,1129 11.226,1130 1.521,1131 3.622,1132 22.452,1133 2.349,1134 13.295,1135 16.905,1136 7.041,1137 27.641,1138 12.284,1139 1.026,1140 3.298,1141 24.308,1142 2.129,1143 14.382,1144 18.292,1146 29.933,1147 13.275,1148 0.857,1149 1.91,1150 26.167,1151 2.088,1152 15.498,1153 19.712,1154 8.098,1155 32.243,1156 14.312,1157 0.271,1158 1.536,1159 28.028,1160 1.315,1161 16.596,1162 21.111,1164 34.541,1165 15.32,1166 1667,1167 2893,1168 9.534,1169 19.421,1170 22.124,1171 23.177,1172 22.098,1173 20.687,1174 20.637,1175 27.006,1176 3.394,1177 52.505,1178 19.524,1179 5.26,1180 5.505,1181 6.406,1182 4.958,1183 4.984,1184 6.794,1185 3.394,1186 16.5,1187 4.657,1188 7.963,1189 1.475,1190 1.545,1191 1.473,1192 1.379,1193 1.376,1194 1.8,1195 0.226,1196 3.5,1197 1.302,1198 4.036,1199 4.102,1200 3.984,1201 3.829,1202 6.546,1203 3.859,1204 3.674,1205 3.735,1206 3.535,1207 3.562,1208 5.429,1209 3.549,1210 3.326,1211 3.397,1212 3.194,1213 3.187,1214 4.833,1215 3.176,1216 3.25,1217 3.316,1218 3.149,1219 2.953,1220 4.048,1221 2.988,1222 3.043,1223 3.139,1224 2.827,1225 2.827,1226 4.024,1227 2.81,1228 2.769,1229 2.868,1230 2.513,1231 2.584,1232 3.763,1233 2.553,1234 2.429,1235 2.511,1236 2.228,1237 2.081,1238 3.394,1239 2.083,1240 2.312,1241 2.429,1242 1.982,1243 1.9,1244 2.923,1245 1.931,1246 0.293,1247 0.242,1248 0.431,1249 0.263,1250 0.202,1251 4.398,1252 0.272,1253 3.631,1254 0.113,1255 6.47,1256 0.667,1257 3.943,1258 0.185,1259 3.024,1260 4.086,1261 1.697,1262 10.003,1263 2.777,1264 1.77,1265 1.71,1266 1.985,1267 1.964,1268 1.301,1269 1.967,1270 1.611,1271 1.545,1272 1.791,1273 1.842,1274 0.909,1275 1.836,1276 1.518,1277 1.458,1278 1.706,1279 1.706,1280 0.837,1281 1.713,1282 1.227,1283 1.168,1284 1.451,1285 1.454,1286 0.512,1287 1.446,1288 1.021,1289 0.932,1290 1.341,1291 1.313,1292 0.344,1293 1.327,1294 0.816,1295 0.72,1296 1.172,1297 1.072,1298 0.167,1299 1.111,1300 0.531,1301 0.43,1302 0.914,1303 0.907,1305 0.915,1306 0.273,1307 0.137,1308 0.756,1309 0.669,1311 0.723,1312 3.434,1314 4.635,1315 2.398,1316 6.028,1317 4.727,1318 7.526,1319 6.783,1320 9.086,1322 1.912,1327 8.513,1328 3.764,1337 5.175,1339 2.618,1340 18.203,1341 46.771,1342 104.771,1343 132.825,1344 138.825,1345 140.825,1346 140.825,1347 22,1348 5.288,1349 41.4,1350 41.4,1351 5,1352 11.397,1353 3,1354 2.7,1355 31.263,1356 39,1357 48,1358 0.397,1359 120.099,1360 205.51,1361 284.801,1362 946,1364 11.096,1365 0.74,1366 0.599,1367 11.096,1368 8.979,1369 7.291,1370 0.486,1371 0.336,1372 4.954,1373 6.916,1374 4.818,1375 4.089,1376 7.291,1377 5.044,1378 5.617,1379 0.312,1380 0.194,1381 5.617,1382 3.493,1383 4.38,1384 0.199,1385 0.109,1386 4.38,1387 2.406,1388 3.415,1389 0.131,1390 0.061,1391 3.415,1392 1.577,1393 2.318,1394 0.097,1395 0.038,1396 2.318,1397 0.918,1398 0.614,1399 46.292,1400 0.324,1401 15.58,1402 1.097,1403 66,1404 193.773,1405 73.045,1406 191.735,1407 251.02,1408 176,1409 73,1410 181.224,1411 81.018,1412 183.439,1413 251.35,1414 169,1415 5.071}
{0 CHEMBL151559,1 1.437,2 9.95,3 3.735,4 13.952,5 81.286,6 6.533,7 0.3,8 3.776,9 3.911,10 3.213,11 3.238,12 4.864,13 3.198,14 4.309,15 4.534,16 3.471,17 3.546,18 5.325,19 3.478,20 4.476,21 4.687,22 3.504,23 3.706,24 5.46,25 3.606,26 4.66,27 4.917,28 3.42,29 3.691,30 5.655,31 3.563,32 4.513,33 4.769,34 3.326,35 3.588,36 5.514,37 3.473,38 4.308,39 4.519,40 3.284,41 3.572,42 5.31,43 3.446,44 4.426,45 4.696,46 3.15,47 3.545,48 5.321,49 3.382,50 4.281,51 4.537,52 2.906,53 3.348,54 5.226,55 3.173,56 0.023,57 0.568,58 9.683,59 3.736,60 8.64,61 5.373,62 0.377,63 0.847,64 17.507,65 5.351,66 27.433,67 8.224,68 0.145,69 0.964,70 20.199,71 7.328,72 22.932,73 10.487,74 0.311,75 1.004,76 25.006,77 8.172,78 53.107,79 11.76,80 0.312,81 0.896,82 21.629,83 6.828,84 48.824,85 9.972,86 0.172,87 0.831,88 16.924,89 6.44,90 24.531,91 9.238,92 0.172,93 0.851,94 19.209,95 6.902,96 30.912,97 10.16,98 0.278,99 0.708,100 16.943,101 5.846,102 33.531,103 8.399,104 43,105 25,106 0.257,107 0.584,108 0.794,109 0.871,110 0.871,111 0.871,112 3.055,113 1.006,114 -3.77,115 -3.73,116 -3.55,121 38.1,122 1,123 1,126 2,127 3,142 1,143 1,144 4,145 1,146 1,161 1,176 6,179 3,180 5,187 6,192 4,200 3,206 10,214 2,219 5,227 2,231 1,232 5,239 5,251 5,255 2,256 1,264 4,269 1,277 1,281 516,282 13.223,283 13.223,284 13.223,285 13.223,286 13.223,287 12.162,288 17.651,289 8.095,290 13.595,291 9.743,292 9.743,293 9.743,294 9.743,295 9.743,296 8.064,297 18.279,298 3.69,299 10.267,300 3.955,301 2.131,302 0.959,303 0.53,304 0.53,305 0.53,306 3.691,310 1,311 1,312 1,313 384,314 4,318 76.628,325 1.655,326 15.9,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 43,338 199,339 4.117,340 3.773,341 5.925,342 3.752,343 2.809,344 3.687,345 2.208,346 8.276,347 2.663,348 3.848,349 2.949,350 5.556,351 3.554,352 2.591,353 3.062,354 1.053,355 7.447,356 2.464,357 3.591,358 2.819,359 5.074,360 3.268,361 2.344,362 2.577,363 0.655,364 6.166,365 2.163,366 3.334,367 2.392,368 4.897,369 2.95,370 1.998,371 2.411,372 0.249,373 5.668,374 1.893,375 3.1,376 2.128,377 3.841,378 2.297,379 1.324,380 1.783,381 0.13,382 2.98,383 1.277,384 2.688,385 1.872,386 3.49,387 2.139,388 1.148,389 1.627,391 2.544,392 1.125,393 2.5,394 1.301,395 3.257,396 2.072,397 1.085,398 1.424,400 1.976,401 1.069,402 1.735,403 0.709,404 2.733,405 1.475,406 0.494,407 0.576,409 0.973,410 0.484,411 1.212,412 0.618,413 2.648,414 1.132,415 0.175,416 0.179,418 0.239,419 0.166,420 1.167,421 0.373,422 2,423 0.732,424 -0.243,425 -0.316,427 -0.581,428 -0.232,429 0.97,430 -0.241,431 2,432 0.461,433 -0.512,434 -0.683,436 -0.843,437 -0.495,438 0.656,439 -0.342,440 1.63,441 0.297,442 -0.669,443 -0.845,445 -1.566,446 -0.643,447 0.481,448 -0.408,449 1.519,450 -0.001,451 -1,452 -1.335,454 -2.573,455 -0.985,456 -0.034,457 -0.923,458 1.291,459 -0.259,460 -1.214,461 -1.439,463 -2.85,464 -1.157,465 -0.198,466 -0.954,467 1.268,468 -0.374,469 -1.307,470 -1.463,472 -2.976,473 -1.223,474 9.467,475 0.473,476 0.438,477 0.022,478 22.25,479 1.113,480 10,481 0.5,482 12.25,483 0.613,484 15.552,485 0.778,486 22.933,487 0.546,488 16.169,489 0.808,490 4.753,491 0.238,492 4.809,493 0.24,494 0.246,496 0.243,501 0.794,502 1.659,503 0.925,504 1.372,505 0.641,506 1.194,507 0.837,508 0.845,509 0.936,510 0.805,511 0.476,512 0.845,513 1.052,514 1.236,515 1.082,516 1.257,517 0.784,518 1.182,519 1.482,520 0.975,521 1.028,522 0.961,523 1.394,524 0.949,525 1.581,526 0.831,527 1.042,528 0.786,529 1.629,530 0.84,531 0.817,532 1.238,533 1.133,534 1.265,535 0.927,536 1.251,537 0.81,538 0.993,539 0.984,540 1.041,541 0.937,542 1.037,543 1.171,544 0.959,545 1.217,546 1.094,547 1.083,548 1.166,549 4.5,550 0.066,551 2,552 1,553 0.782,554 0.431,555 0.368,556 0.236,557 0.152,558 0.116,559 3446,560 9036,561 1.861,562 52.4,564 16,565 1,569 5,572 1.615,573 1.714,574 3.314,575 -0.787,577 1,579 1,582 60.37,583 1.437,584 3.262,585 4.434,586 4.862,587 4.862,588 4.862,589 2.746,590 3.304,591 4.289,592 3.436,593 652.866,594 7.318,595 7010.44,596 1,597 1,599 1,600 226.477,601 1.5,602 4.228,603 0.225,604 0.008,605 0.08,606 0.04,607 0.036,608 0.021,609 0.018,610 0.014,611 0.013,612 0.012,613 0.466,614 0.67,615 1,616 2.261,617 90.793,618 0.021,619 -0.39,620 0.046,621 -0.208,622 -0.021,623 -0.101,624 0.271,625 0.303,626 0.082,627 0.162,628 0.17,629 0.116,630 -0.057,631 -0.165,632 -0.104,633 -0.207,634 -0.004,635 -0.164,636 -0.131,637 -0.07,638 -0.013,639 -0.003,640 -0.079,641 0.003,642 -0.209,643 0.11,644 -0.018,645 0.16,646 -0.209,647 0.104,648 0.009,649 -0.16,650 -0.18,651 -0.193,652 -0.091,653 -0.214,654 -0.038,655 -0.031,656 -0.038,657 -0.047,658 -0.055,659 -0.041,660 -0.036,661 -0.011,662 -0.231,663 -0.122,664 -0.11,665 -0.201,666 2.005,667 4.679,668 0.3,669 17.78,670 0.993,671 1.133,672 2.538,673 6.441,674 0.632,675 3.045,676 3.258,677 3.367,678 3.434,679 3.526,680 3.497,681 3.526,682 3.497,683 3.434,684 3.135,685 5.84,686 0.589,687 274.4,688 3.045,689 4.511,690 5.283,691 6.094,692 6.887,693 7.704,694 8.506,695 9.327,696 10.134,697 10.957,698 4.8,701 1,705 1,715 4,720 2,722 6,737 1,741 42,743 8,744 1,745 20,747 42,748 16,749 6,750 2,751 4,756 1,757 1,763 1,770 1,771 2,772 7,773 7,777 1,782 1,786 1,790 1,793 22,794 4,796 4,802 2,808 1,809 2,829 1,836 1,837 1,855 1,859 1,864 3,868 20,876 4,878 1,881 2,885 1,886 1,891 1,893 4.8,896 1,898 1,901 11.667,902 8.4,903 4.778,904 2.514,907 1.412,908 1.242,909 0.895,910 6.964,911 7.255,912 3.296,913 3.676,914 4.012,915 4.408,916 4.786,917 4.804,918 4.977,919 5.164,920 5.147,921 4.883,922 0.857,923 25,924 7.353,926 2.809,927 0.026,929 7.8,931 13.999,933 10.301,936 2.3,937 46,938 0.001,941 258.964,942 127.918,943 6.249,945 36.145,948 127.918,949 295.109,950 6.249,951 25.618,952 11.976,953 37.905,954 25.145,955 22.553,956 58.885,957 247.193,959 258.964,960 134.167,961 36.145,964 200.109,965 95,968 23.925,969 93.21,970 17.031,972 258.964,973 42.393,974 127.918,977 258.964,978 24.043,979 69.772,980 17.031,981 59.466,982 258.964,983 42.393,984 127.918,986 0.553,987 0.31,988 0.143,989 0.069,990 8,991 5,992 0.167,993 7,995 1,996 3.206,997 126.952,999 6,1000 84.439,1005 16.392,1006 8.497,1007 5.902,1009 42.393,1010 7.594,1015 1.7,1018 429.276,1019 26,1024 11.679,1028 -0.339,1031 41.694,1032 47.567,1034 0.267,1035 0.605,1036 0.822,1037 0.902,1038 0.902,1039 0.902,1040 4.494,1041 0.494,1042 5.231,1043 1.976,1044 3.932,1045 4.357,1046 2.511,1047 5.911,1048 3.831,1049 5.65,1050 0.175,1051 6.723,1052 0.973,1053 3.434,1054 3.951,1055 1.905,1056 6.581,1057 3.248,1058 6.904,1059 -0.243,1060 8.309,1061 0.239,1062 5.407,1063 6.294,1064 3.582,1065 9.551,1066 5.194,1067 8.183,1068 -0.512,1069 9.946,1070 -0.581,1071 5.673,1072 6.64,1073 3.673,1074 10.962,1075 5.368,1076 9.486,1077 -0.669,1078 11.614,1079 -0.843,1080 7.122,1081 8.512,1082 4.969,1083 13.437,1084 6.799,1085 10.805,1086 -1,1087 13.303,1088 -1.566,1089 7.745,1090 9.229,1091 5.375,1092 15.174,1093 7.335,1094 12.136,1095 -1.214,1096 15.005,1097 -2.573,1098 8.963,1099 10.883,1100 6.461,1101 17.448,1102 8.532,1103 2.809,1104 -1.307,1105 16.717,1106 -2.85,1107 9.767,1108 11.811,1109 7.029,1110 19.351,1111 9.256,1112 2.591,1113 8.276,1114 18.438,1115 -2.976,1116 10.876,1117 13.343,1118 7.995,1119 21.533,1120 10.338,1121 2.344,1122 7.447,1123 20.164,1124 3.687,1125 11.776,1126 14.399,1127 8.655,1128 23.526,1129 11.164,1130 1.998,1131 6.166,1132 21.896,1133 3.062,1134 12.832,1135 15.855,1136 9.55,1137 25.664,1138 12.189,1139 1.324,1140 5.668,1141 23.633,1142 2.577,1143 13.784,1144 16.995,1145 10.263,1146 27.705,1147 13.073,1148 1.148,1149 2.98,1150 25.374,1151 2.411,1152 14.817,1153 18.401,1154 11.116,1155 29.823,1156 14.068,1157 1.085,1158 2.544,1159 27.118,1160 1.783,1161 15.798,1162 19.595,1163 11.862,1164 31.891,1165 14.986,1166 3744,1167 6150,1168 12.425,1169 26.534,1170 29.025,1171 29.308,1172 29.845,1173 27.998,1174 27.937,1175 34.652,1176 8.59,1177 72.54,1178 26.611,1179 4.995,1180 5.773,1181 5.698,1182 4.811,1183 4.809,1184 6.687,1185 3.912,1186 14.308,1187 4.663,1188 12.574,1189 1.451,1190 1.465,1191 1.492,1192 1.4,1193 1.397,1194 1.733,1195 0.429,1196 3.627,1197 1.331,1198 3.947,1199 3.976,1200 3.883,1201 3.867,1202 7.433,1203 3.866,1204 3.689,1205 3.756,1206 3.587,1207 3.505,1208 5.43,1209 3.509,1210 3.654,1211 3.724,1212 3.54,1213 3.433,1214 4.811,1215 3.45,1216 3.321,1217 3.375,1218 3.189,1219 3.208,1220 4.297,1221 3.195,1222 3.217,1223 3.287,1224 3.055,1225 2.97,1226 4.211,1227 2.98,1228 3.088,1229 3.183,1230 2.876,1231 2.897,1232 4.079,1233 2.879,1234 2.991,1235 3.048,1236 2.76,1237 2.762,1238 3.749,1239 2.755,1240 2.756,1241 2.823,1242 2.593,1243 2.555,1244 3.734,1245 2.551,1246 0.206,1247 0.189,1248 0.296,1249 0.188,1250 0.14,1251 4.117,1252 0.184,1253 3.773,1254 0.11,1255 5.925,1256 0.414,1257 3.752,1258 0.133,1259 2.809,1260 3.687,1261 2.208,1262 8.276,1263 2.663,1264 1.917,1265 1.892,1266 2.043,1267 2.023,1268 1.251,1269 2.03,1270 1.639,1271 1.575,1272 1.875,1273 1.879,1274 1.039,1275 1.877,1276 1.6,1277 1.525,1278 1.839,1279 1.823,1280 0.973,1281 1.834,1282 1.335,1283 1.283,1284 1.577,1285 1.499,1286 0.715,1287 1.525,1288 1.187,1289 1.106,1290 1.564,1291 1.457,1292 0.622,1293 1.497,1294 1.113,1295 1.019,1296 1.481,1297 1.351,1298 0.495,1299 1.4,1300 0.928,1301 0.883,1302 1.149,1303 1.233,1304 0.208,1305 1.202,1306 0.752,1307 0.681,1308 1.076,1309 0.979,1310 0.166,1311 1.019,1312 3.714,1314 4.949,1316 6.365,1318 7.859,1320 9.394,1322 5.597,1328 2.995,1330 5.303,1333 3.594,1337 5.265,1339 2.611,1340 24.74,1341 60.37,1342 136.99,1343 186.213,1344 204.213,1345 204.213,1346 204.213,1347 42.55,1348 5.844,1349 32.78,1350 32.78,1351 6,1352 11.539,1353 3.17,1354 2.807,1355 49.721,1356 70,1357 72,1358 0.357,1359 160.871,1360 285.84,1361 384.286,1362 2075,1364 14.958,1365 0.748,1366 0.621,1367 14.958,1368 12.426,1369 9.562,1370 0.478,1371 0.335,1372 6.592,1373 9.147,1374 6.294,1375 5.361,1376 9.562,1377 6.703,1378 7.968,1379 0.319,1380 0.189,1381 7.968,1382 4.721,1383 6.061,1384 0.216,1385 0.108,1386 6.061,1387 3.033,1388 4.196,1389 0.14,1390 0.054,1391 4.196,1392 1.627,1393 2.865,1394 0.087,1395 0.03,1396 2.865,1397 1.002,1398 0.565,1399 60.123,1400 0.284,1401 20.364,1402 0.956,1403 90,1404 280.761,1405 100.583,1406 269.842,1407 354.26,1408 250,1409 98,1410 247.134,1411 108.31,1412 253.104,1413 358.12,1414 232,1415 4.78}
{0 CHEMBL151861,1 1.464,2 9.368,3 3.228,4 10.421,5 75.662,6 6.676,7 0.316,8 3.708,9 3.841,10 3.158,11 3.176,12 4.826,13 3.142,14 4.224,15 4.437,16 3.429,17 3.486,18 5.296,19 3.423,20 4.408,21 4.622,22 3.431,23 3.616,24 5.467,25 3.519,26 4.518,27 4.766,28 3.277,29 3.551,30 5.546,31 3.431,32 4.324,33 4.573,34 3.223,35 3.469,36 5.295,37 3.354,38 4.263,39 4.498,40 3.187,41 3.467,42 5.262,43 3.337,44 4.282,45 4.546,46 3.024,47 3.413,48 5.212,49 3.257,50 4.143,51 4.4,52 2.832,53 3.226,54 5.148,55 3.053,56 0.023,57 0.529,58 8.829,59 3.447,60 8.944,61 4.883,62 0.342,63 0.783,64 15.86,65 5.087,66 27.757,67 7.621,68 0.138,69 0.89,70 18.807,71 6.706,72 27.933,73 9.575,74 0.326,75 0.87,76 21.939,77 6.961,78 57.794,79 9.904,80 0.193,81 0.788,82 17.565,83 5.88,84 30.931,85 8.642,86 0.18,87 0.765,88 16.259,89 5.948,90 27.163,91 8.615,92 0.173,93 0.743,94 16.743,95 5.906,96 30.727,97 8.661,98 0.204,99 0.63,100 14.623,101 5.179,102 31.874,103 7.491,104 40,105 24,106 0.267,107 0.629,108 0.802,109 0.84,110 0.84,111 0.84,112 3.008,113 0.979,114 -3.52,115 -3.49,116 -3.34,121 38.5,122 1,123 1,126 2,127 1,129 1,142 1,143 1,144 4,145 1,146 1,161 1,176 6,179 3,180 2,185 3,187 7,192 2,197 2,200 4,206 6,211 2,214 3,219 4,224 1,227 3,232 4,235 1,237 1,239 5,251 4,256 2,259 2,264 3,269 1,277 1,281 464,282 12.353,283 12.353,284 12.353,285 12.353,286 12.353,287 11.369,288 16.211,289 7.482,290 12.648,291 9.284,292 9.284,293 9.284,294 9.284,295 9.284,296 7.628,297 17.17,298 3.486,299 9.719,300 3.822,301 1.828,302 0.879,303 0.673,304 0.673,305 0.673,306 3.64,310 1,311 1,312 1,313 343,314 3.873,318 72.017,325 1.651,326 16.481,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 41,338 178,339 4.112,340 3.762,341 5.836,342 3.735,343 2.788,344 3.687,345 2.208,346 8.103,347 2.655,348 3.819,349 3.066,350 5.518,351 3.51,352 2.547,353 3.036,354 0.867,355 7.208,356 2.418,357 3.721,358 2.866,359 5.003,360 3.296,361 2.335,362 2.621,363 0.655,364 5.924,365 2.241,366 3.31,367 2.396,368 4.925,369 2.972,370 2.013,371 2.52,372 0.13,373 5.69,374 1.923,375 2.796,376 1.976,377 3.59,378 2.273,379 1.299,380 1.774,382 2.806,383 1.261,384 2.674,385 1.507,386 3.429,387 2.037,388 1.065,389 1.295,391 2.274,392 1.033,393 2.304,394 1.242,395 3.34,396 1.967,397 1,398 1.191,400 2.272,401 0.948,402 2.041,403 0.677,404 2.655,405 1.323,406 0.335,407 0.545,409 0.486,410 0.33,411 1.186,412 0.513,413 2.414,414 0.795,415 -0.181,416 -0.218,418 -0.384,419 -0.176,420 1.008,421 0.014,422 2,423 0.725,424 -0.239,425 -0.302,427 -0.597,428 -0.226,429 0.486,430 -0.358,431 1.725,432 0.16,433 -0.828,434 -0.986,436 -1.966,437 -0.816,438 0.469,439 -0.6,440 1.577,441 -0.001,442 -1,443 -1,445 -2,446 -0.9,448 -0.705,449 1.358,450 -0.1,451 -1,452 -1.41,454 -2.61,455 -0.985,456 -0.148,457 -0.861,458 1.233,459 -0.336,460 -1.319,461 -1.553,463 -2.861,464 -1.285,465 -0.223,466 -1.019,467 1.03,468 -0.484,469 -1.457,470 -1.813,472 -3.992,473 -1.427,474 8.967,475 0.472,476 0.476,477 0.025,478 21.5,479 1.132,480 10,481 0.526,482 11.5,483 0.605,484 14.091,485 0.742,486 21.633,487 0.555,488 15.369,489 0.809,490 4.55,491 0.239,492 4.474,493 0.235,494 0.26,496 0.268,501 0.823,502 1.535,503 0.915,504 1.298,505 0.677,506 1.14,507 0.736,508 0.897,509 0.903,510 0.862,511 0.475,512 0.879,513 1.055,514 1.219,515 1.066,516 1.242,517 0.785,518 1.164,519 1.666,520 0.936,521 1.12,522 0.914,523 1.668,524 0.951,525 1.107,526 0.985,527 0.985,528 0.94,529 1.046,530 0.944,531 0.785,532 1.116,533 1.025,534 1.134,535 0.871,536 1.123,537 0.905,538 0.963,539 1.034,540 1.01,541 1.031,542 1.037,543 0.812,544 1.054,545 1.126,546 1.205,547 0.974,548 1.219,549 4.5,550 0.083,551 1.778,552 0.875,553 0.622,554 0.486,555 0.346,556 0.247,557 0.127,558 0.096,559 3025,560 8367,561 1.854,562 51.3,564 13,565 1,567 1,569 5,572 1.599,573 1.701,574 3.239,575 -0.301,577 1,579 1,582 57.089,583 1.464,584 3.457,585 4.407,586 4.612,587 4.612,588 4.612,589 2.721,590 4.143,591 4.216,592 3.388,593 579.363,594 7.163,595 6016.94,596 1,597 1,598 1,599 1,600 206.131,601 1.524,602 4.149,603 0.237,604 0.012,605 0.074,606 0.038,607 0.033,608 0.026,609 0.019,610 0.016,611 0.012,612 0.012,613 0.478,614 0.67,615 1,616 2.203,617 84.737,618 -0.014,619 -0.276,620 0.031,621 -0.153,622 -0.055,623 -0.069,624 0.306,625 0.239,626 0.092,627 0.126,628 0.185,629 0.092,630 -0.06,631 -0.172,632 -0.097,633 -0.212,634 0.016,635 -0.162,636 -0.221,637 -0.037,638 -0.092,639 0.036,640 -0.217,641 -0.009,642 -0.107,643 0.001,644 -0.008,645 0.04,646 -0.081,647 0.032,648 0.035,649 -0.1,650 -0.079,651 -0.107,652 -0.046,653 -0.113,654 -0.088,656 -0.085,657 -0.02,658 -0.101,659 -0.047,660 0.085,661 -0.097,662 -0.169,663 -0.224,664 -0.021,665 -0.239,666 2.045,667 4.435,668 0.316,669 16.698,670 0.995,671 1.132,672 2.289,673 5.238,674 0.635,675 2.996,676 3.219,677 3.296,678 3.332,679 3.466,680 3.434,681 3.434,682 3.401,683 3.258,684 3.045,685 5.697,686 0.595,687 260.37,688 2.996,689 4.466,690 5.231,691 6.038,692 6.825,693 7.638,694 8.434,695 9.25,696 10.051,697 10.871,698 5.1,700 1,705 1,715 4,720 2,722 6,737 1,741 39,743 8,744 1,745 19,747 39,748 15,749 6,750 2,751 4,756 1,757 1,763 1,770 2,771 2,772 7,773 6,777 1,782 1,786 1,789 1,790 1,793 20,794 4,795 1,796 4,802 2,808 1,809 2,829 1,836 1,837 1,853 1,859 1,864 3,868 19,876 2,877 1,878 1,880 1,881 1,885 1,886 1,891 1,893 5.1,896 1,898 1,901 11.167,902 7.783,903 4.444,904 2.214,907 1.425,908 1.248,909 0.892,910 6.241,911 7.171,912 3.258,913 3.651,914 4.012,915 4.332,916 4.761,917 4.766,918 4.913,919 5.09,920 4.977,921 4.844,922 1,923 23,924 6.969,926 2.68,927 0.026,929 7.86,931 13.157,933 9.699,936 2.36,937 44.833,938 0.001,941 223.651,942 123.707,943 21.135,945 36.145,948 123.707,949 259.796,950 21.135,951 25.618,952 7.765,953 55.916,954 25.145,955 19.429,956 58.885,957 211.88,959 223.651,960 144.842,961 36.145,964 164.795,965 95,968 34.601,969 93.21,970 17.031,972 223.651,973 57.28,974 123.707,977 223.651,978 19.832,979 66.647,980 35.041,981 59.466,982 223.651,983 57.28,984 123.707,986 0.563,987 0.304,988 0.125,989 0.067,990 8,991 5,992 0.154,993 6,995 1,996 3.121,997 117.356,999 6,1000 78.711,1005 15.395,1006 7.703,1007 5.67,1009 57.28,1010 7.499,1015 1.655,1017 18.011,1018 404.637,1019 25,1024 11.435,1028 -0.378,1031 38.811,1032 44.152,1034 0.277,1035 0.654,1036 0.834,1037 0.873,1038 0.873,1039 0.873,1040 4.46,1041 0.335,1042 5.187,1043 2.272,1044 3.892,1045 4.331,1046 2.458,1047 5.855,1048 3.804,1049 5.625,1050 -0.181,1051 6.676,1052 0.486,1053 3.434,1054 3.951,1055 1.847,1056 6.512,1057 3.287,1058 6.881,1059 -0.239,1060 8.257,1061 -0.384,1062 5.361,1063 6.29,1064 3.56,1065 9.452,1066 5.178,1067 8.163,1068 -0.828,1069 9.888,1070 -0.597,1071 5.638,1072 6.653,1073 3.656,1074 10.835,1075 5.387,1076 9.471,1077 -1,1078 11.548,1079 -1.966,1080 7.066,1081 8.516,1082 4.961,1083 13.291,1084 6.786,1085 10.795,1086 -1,1087 13.226,1088 -2,1089 7.683,1090 9.238,1091 5.37,1092 14.999,1093 7.332,1094 12.131,1095 -1.319,1096 14.918,1097 -2.61,1098 8.89,1099 10.886,1100 6.459,1101 17.255,1102 8.513,1103 2.788,1104 -1.457,1105 16.619,1106 -2.861,1107 9.682,1108 11.812,1109 7.028,1110 19.131,1111 9.234,1112 2.547,1113 8.103,1114 18.327,1115 -3.992,1116 10.784,1117 13.341,1118 7.994,1119 21.295,1120 10.307,1121 2.335,1122 7.208,1123 20.041,1124 3.687,1125 11.671,1126 14.396,1127 8.654,1128 23.262,1129 11.126,1130 2.013,1131 5.924,1132 21.759,1133 3.036,1134 12.722,1135 15.851,1136 9.549,1137 25.381,1138 12.144,1139 1.299,1140 5.69,1141 23.482,1142 2.621,1143 13.662,1144 16.989,1145 10.263,1146 27.4,1147 13.02,1148 1.065,1149 2.806,1150 25.208,1151 2.52,1152 14.689,1153 18.395,1154 11.116,1155 29.498,1156 14.009,1157 1,1158 2.274,1159 26.938,1160 1.774,1161 15.659,1162 19.588,1163 11.862,1164 31.545,1165 14.92,1166 3292,1167 5562,1168 11.731,1169 24.773,1170 28.503,1171 28.167,1172 28.173,1173 26.816,1174 26.766,1175 33.337,1176 7.72,1177 69.524,1178 25.619,1179 4.992,1180 5.762,1181 5.442,1182 4.784,1183 4.788,1184 6.687,1185 3.912,1186 14.004,1187 4.655,1188 12.187,1189 1.5,1190 1.482,1191 1.483,1192 1.411,1193 1.409,1194 1.755,1195 0.406,1196 3.659,1197 1.348,1198 3.944,1199 3.972,1200 3.88,1201 3.866,1202 7.433,1203 3.864,1204 3.689,1205 3.75,1206 3.582,1207 3.547,1208 5.43,1209 3.546,1210 3.615,1211 3.682,1212 3.52,1213 3.339,1214 4.812,1215 3.373,1216 3.343,1217 3.411,1218 3.187,1219 3.208,1220 4.306,1221 3.194,1222 3.045,1223 3.065,1224 2.909,1225 2.824,1226 4.223,1227 2.814,1228 2.97,1229 3.051,1230 2.775,1231 2.786,1232 4.058,1233 2.792,1234 2.874,1235 3.009,1236 2.624,1237 2.636,1238 3.801,1239 2.624,1240 2.815,1241 2.904,1242 2.575,1243 2.618,1244 3.547,1245 2.57,1246 0.216,1247 0.198,1248 0.307,1249 0.197,1250 0.147,1251 4.112,1252 0.194,1253 3.762,1254 0.116,1255 5.836,1256 0.426,1257 3.735,1258 0.14,1259 2.788,1260 3.687,1261 2.208,1262 8.103,1263 2.655,1264 1.916,1265 1.892,1266 2.042,1267 2.02,1268 1.238,1269 2.027,1270 1.664,1271 1.608,1272 1.87,1273 1.859,1274 0.989,1275 1.861,1276 1.517,1277 1.444,1278 1.783,1279 1.801,1280 0.839,1281 1.8,1282 1.361,1283 1.295,1284 1.639,1285 1.544,1286 0.812,1287 1.58,1288 1.006,1289 0.929,1290 1.417,1291 1.24,1292 0.469,1293 1.308,1294 0.934,1295 0.9,1296 1.31,1297 1.239,1298 0.276,1299 1.241,1300 0.928,1301 0.804,1302 1.148,1303 1.196,1304 0.168,1305 1.19,1306 0.821,1307 0.743,1308 1.115,1309 1.055,1310 0.065,1311 1.088,1312 3.664,1314 4.905,1316 6.319,1318 7.806,1320 9.332,1322 5.24,1328 1.621,1329 3.207,1330 5.199,1332 0.065,1333 1.392,1337 5.284,1339 2.615,1340 23.214,1341 57.089,1342 134.828,1343 171.866,1344 179.866,1345 179.866,1346 179.866,1347 39.088,1348 5.746,1349 41.57,1350 41.57,1351 6,1352 11.457,1353 3.17,1354 2.807,1355 45.792,1356 64,1357 64,1358 0.355,1359 151.279,1360 268.54,1361 360.88,1362 1834,1364 14.251,1365 0.75,1366 0.613,1367 14.251,1368 11.642,1369 9.024,1370 0.475,1371 0.326,1372 6.102,1373 8.648,1374 5.821,1375 4.966,1376 9.024,1377 6.202,1378 7.8,1379 0.325,1380 0.188,1381 7.8,1382 4.502,1383 5.741,1384 0.221,1385 0.099,1386 5.741,1387 2.583,1388 3.636,1389 0.135,1390 0.054,1391 3.636,1392 1.449,1393 2.742,1394 0.088,1395 0.03,1396 2.742,1397 0.921,1398 0.563,1399 56.736,1400 0.292,1401 19.494,1402 0.946,1403 86,1404 271.449,1405 96.222,1406 261.711,1407 343.8,1408 242,1409 93,1410 241.43,1411 102.477,1412 246.912,1413 348.1,1414 227,1415 6.77}
{0 CHEMBL151883,1 1.464,2 9.895,3 3.199,4 10.236,5 75.991,6 6.676,7 0.316,8 3.708,9 3.841,10 3.158,11 3.176,12 4.816,13 3.142,14 4.224,15 4.436,16 3.402,17 3.475,18 5.285,19 3.405,20 4.405,21 4.631,22 3.421,23 3.59,24 5.402,25 3.496,26 4.49,27 4.725,28 3.332,29 3.537,30 5.548,31 3.434,32 4.382,33 4.63,34 3.234,35 3.451,36 5.407,37 3.352,38 4.186,39 4.395,40 3.185,41 3.439,42 5.22,43 3.322,44 4.282,45 4.546,46 3.024,47 3.413,48 5.206,49 3.257,50 4.142,51 4.4,52 2.814,53 3.239,54 5.126,55 3.063,56 0.023,57 0.529,58 8.829,59 3.447,60 8.161,61 4.883,62 0.34,63 0.78,64 15.86,65 5.075,66 27.118,67 7.616,68 0.148,69 0.873,70 18.859,71 6.593,72 25.465,73 9.479,74 0.285,75 0.855,76 21.241,77 6.767,78 49.401,79 9.562,80 0.304,81 0.785,82 19.16,83 5.821,84 44.696,85 8.429,86 0.163,87 0.731,88 14.923,89 5.56,90 23.934,91 7.955,92 0.173,93 0.743,94 16.743,95 5.906,96 29.814,97 8.661,98 0.22,99 0.633,100 14.632,101 5.199,102 31.791,103 7.511,104 34,105 23,106 0.267,107 0.629,108 0.825,109 0.881,110 0.881,111 0.881,112 3.008,113 1,114 -3.52,115 -3.49,116 -3.34,121 38.5,122 1,123 1,126 1,127 3,142 1,143 1,144 4,145 1,146 1,161 1,176 6,179 3,180 3,185 2,187 6,192 2,197 2,200 3,206 8,211 2,214 2,219 4,224 1,227 2,232 4,235 1,237 1,239 5,251 5,256 1,259 2,264 4,269 1,277 1,281 476,282 12.776,283 12.776,284 12.776,285 12.776,286 12.776,287 11.715,288 17.063,289 8.048,290 13.105,291 9.277,292 9.277,293 9.277,294 9.277,295 9.277,296 7.571,297 17.252,298 3.726,299 9.731,300 3.822,301 1.828,302 0.757,303 0.449,304 0.449,305 0.449,306 3.644,310 1,311 1,312 1,313 363,314 3.742,318 72.017,325 1.69,326 16.38,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 41,338 188,339 4.116,340 3.773,341 5.924,342 3.749,343 2.807,344 3.687,345 2.208,346 8.275,347 2.659,348 3.846,349 2.878,350 5.55,351 3.544,352 2.576,353 3.061,354 0.867,355 7.431,356 2.459,357 3.5,358 2.541,359 4.97,360 3.019,361 2.066,362 2.546,363 0.655,364 5.85,365 1.962,366 3.321,367 2.387,368 3.851,369 2.652,370 1.706,371 2.1,372 0.13,373 3.384,374 1.612,375 2.712,376 2.128,377 3.708,378 2.296,379 1.323,380 1.78,382 2.947,383 1.277,384 2.5,385 1.502,386 3.48,387 2.137,388 1.145,389 1.424,391 2.536,392 1.123,393 2.497,394 1.242,395 3.071,396 1.981,397 1,398 1.294,400 1.846,401 0.979,402 1.634,403 0.696,404 2.674,405 1.173,406 0.203,407 0.261,409 0.342,410 0.196,411 1.212,412 0.398,413 2.365,414 1.132,415 0.174,416 0.179,418 0.239,419 0.166,420 1.167,421 0.368,422 2,423 0.731,424 -0.243,425 -0.317,427 -0.58,428 -0.232,429 0.848,430 -0.242,431 1.721,432 0.452,433 -0.525,434 -0.684,436 -1.034,437 -0.511,438 0.481,439 -0.379,440 1.592,441 -0.001,442 -1,443 -1.321,445 -2.046,446 -0.98,447 0.364,448 -0.721,449 1.3,450 -0.014,451 -1,452 -1.359,454 -2.603,455 -0.989,456 -0.181,457 -0.925,458 1.249,459 -0.368,460 -1.305,461 -1.447,463 -2.851,464 -1.223,465 -0.349,466 -1.115,467 1.03,468 -0.543,469 -1.512,470 -1.871,472 -3.202,473 -1.457,474 8.967,475 0.472,476 0.332,477 0.017,478 21.5,479 1.132,480 10,481 0.526,482 11.5,483 0.605,484 13.867,485 0.73,486 21.633,487 0.555,488 15.023,489 0.791,490 4.584,491 0.241,492 4.585,493 0.241,494 0.204,496 0.212,501 0.823,502 1.535,503 0.915,504 1.298,505 0.652,506 1.14,507 0.742,508 0.954,509 0.954,510 0.928,511 0.5,512 0.945,513 1.045,514 1.126,515 0.982,516 1.135,517 0.775,518 1.057,519 1.671,520 1.034,521 1.111,522 1.009,523 1.559,524 0.997,525 1.706,526 0.828,527 1.081,528 0.767,529 1.634,530 0.831,531 0.858,532 1.219,533 1.12,534 1.238,535 0.946,536 1.226,537 0.905,538 0.963,539 1.034,540 1.01,541 1.027,542 1.037,543 0.847,544 0.994,545 1.145,546 1.145,547 0.987,548 1.193,549 3.5,550 0.05,551 1.556,552 0.875,553 0.622,554 0.375,555 0.305,556 0.208,557 0.127,558 0.076,559 3049,560 8367,561 1.882,562 51.3,564 13,565 1,567 1,569 5,572 1.599,573 1.754,574 3.301,575 -0.301,577 1,579 1,582 57.089,583 1.464,584 3.457,585 4.529,586 4.836,587 4.836,588 4.836,589 2.76,590 4.143,591 4.211,592 3.421,593 584.919,594 7.161,595 6058.06,596 1,597 1,598 1,599 1,600 206.131,601 1.403,602 4.168,603 0.184,604 0.008,605 0.068,606 0.038,607 0.031,608 0.02,609 0.017,610 0.014,611 0.012,612 0.009,613 0.401,614 0.67,615 1,616 2.288,617 84.821,618 -0.014,619 -0.276,620 0.031,621 -0.153,622 -0.032,623 -0.069,624 0.3,625 0.181,626 0.039,627 0.059,628 0.158,629 0.025,630 -0.042,631 -0.103,632 -0.008,633 -0.122,634 0.014,635 -0.063,636 -0.188,637 -0.116,638 -0.079,639 -0.049,640 -0.136,641 -0.052,642 -0.253,643 0.111,644 -0.045,645 0.168,646 -0.216,647 0.1,648 0.007,649 -0.156,650 -0.171,651 -0.186,652 -0.078,653 -0.207,654 -0.088,656 -0.085,657 -0.02,658 -0.097,659 -0.047,660 0.05,661 -0.036,662 -0.189,663 -0.161,664 -0.034,665 -0.211,666 2.009,667 4.623,668 0.316,669 17.219,670 0.995,671 1.132,672 2.289,673 5.238,674 0.635,675 2.996,676 3.178,677 3.296,678 3.367,679 3.466,680 3.434,681 3.434,682 3.401,683 3.258,684 2.996,685 5.75,686 0.595,687 260.37,688 2.996,689 4.443,690 5.209,691 6.009,692 6.799,693 7.61,694 8.411,695 9.229,696 10.035,697 10.856,698 5.1,700 1,705 1,715 4,720 2,722 6,737 1,741 39,743 8,744 1,745 19,747 39,748 15,749 6,750 2,751 4,756 1,757 1,763 1,770 1,771 2,772 7,773 6,777 1,782 1,786 1,789 1,790 1,793 20,794 4,795 1,796 4,802 2,808 1,809 2,829 1,836 1,837 1,853 1,859 1,864 2,868 19,876 4,877 1,878 1,881 1,885 1,886 1,891 1,893 5.1,896 1,898 1,901 10.833,902 7.45,903 4.611,904 2.364,907 1.43,908 1.249,909 0.901,910 6.84,911 7.176,912 3.258,913 3.624,914 3.975,915 4.358,916 4.761,917 4.766,918 4.913,919 5.09,920 4.977,921 4.808,922 0.857,923 23,924 6.977,926 2.667,927 0.026,929 7.842,931 13.217,933 9.679,936 2.342,937 44.5,938 0.001,941 223.651,942 119.522,943 21.135,945 36.145,948 119.522,949 259.796,950 21.135,951 17.222,952 11.976,953 55.916,954 25.145,955 19.429,956 58.885,957 211.88,959 223.651,960 140.657,961 36.145,964 164.795,965 95,968 38.812,969 84.814,970 17.031,972 223.651,973 57.28,974 119.522,977 223.651,978 24.043,979 58.251,980 35.041,981 59.466,982 223.651,983 57.28,984 119.522,986 0.542,987 0.303,988 0.141,989 0.071,990 7,991 4,992 0.179,993 7,995 1,996 3.165,997 116.442,999 6,1000 80.711,1005 15.395,1006 8.441,1007 5.67,1009 57.28,1010 7.53,1015 1.675,1017 18.011,1018 400.452,1019 25,1024 11.623,1028 -0.342,1031 38.811,1032 44.152,1034 0.277,1035 0.654,1036 0.857,1037 0.915,1038 0.915,1039 0.915,1040 4.437,1041 0.203,1042 5.13,1043 1.846,1044 3.85,1045 4.304,1046 2.458,1047 5.79,1048 3.758,1049 5.581,1050 0.174,1051 6.603,1052 0.342,1053 3.219,1054 3.829,1055 1.847,1056 6.418,1057 3.061,1058 6.828,1059 -0.243,1060 8.177,1061 0.239,1062 5.293,1063 6.249,1064 3.56,1065 9.431,1066 5.099,1067 8.105,1068 -0.525,1069 9.81,1070 -0.58,1071 5.485,1072 6.572,1073 3.656,1074 10.853,1075 5.213,1076 9.408,1077 -1,1078 11.479,1079 -1.034,1080 6.995,1081 8.479,1082 4.961,1083 13.348,1084 6.698,1085 10.729,1086 -1,1087 13.173,1088 -2.046,1089 7.588,1090 9.193,1091 5.37,1092 15.104,1093 7.211,1094 12.064,1095 -1.305,1096 14.883,1097 -2.603,1098 8.841,1099 10.863,1100 6.459,1101 17.388,1102 8.439,1103 2.807,1104 -1.512,1105 16.605,1106 -2.851,1107 9.638,1108 11.792,1109 7.028,1110 19.306,1111 9.158,1112 2.576,1113 8.275,1114 18.335,1115 -3.202,1116 10.768,1117 13.331,1118 7.994,1119 21.494,1120 10.259,1121 2.066,1122 7.431,1123 20.071,1124 3.687,1125 11.67,1126 14.389,1127 8.654,1128 23.495,1129 11.087,1130 1.706,1131 5.85,1132 21.813,1133 3.061,1134 12.74,1135 15.848,1136 9.549,1137 25.637,1138 12.122,1139 1.323,1140 3.384,1141 23.558,1142 2.546,1143 13.698,1144 16.989,1145 10.263,1146 27.684,1147 13.009,1148 1.145,1149 2.947,1150 25.307,1151 2.1,1152 14.74,1153 18.396,1154 11.116,1155 29.804,1156 14.011,1157 1,1158 2.536,1159 27.058,1160 1.78,1161 15.726,1162 19.591,1163 11.862,1164 31.875,1165 14.931,1166 3314,1167 5570,1168 12.019,1169 24.773,1170 27.198,1171 27.32,1172 27.723,1173 26.031,1174 26.002,1175 32.664,1176 7.72,1177 65.7,1178 24.866,1179 4.989,1180 5.773,1181 5.861,1182 4.807,1183 4.807,1184 6.687,1185 3.912,1186 14.305,1187 4.659,1188 10.923,1189 1.431,1190 1.438,1191 1.459,1192 1.37,1193 1.369,1194 1.719,1195 0.406,1196 3.458,1197 1.309,1198 3.944,1199 3.971,1200 3.88,1201 3.865,1202 7.433,1203 3.864,1204 3.677,1205 3.745,1206 3.575,1207 3.462,1208 5.432,1209 3.467,1210 3.611,1211 3.681,1212 3.492,1213 3.433,1214 4.812,1215 3.446,1216 3.32,1217 3.374,1218 3.182,1219 3.201,1220 4.299,1221 3.187,1222 3.211,1223 3.284,1224 3.044,1225 2.963,1226 4.194,1227 2.972,1228 2.999,1229 3.055,1230 2.767,1231 2.763,1232 4.067,1233 2.757,1234 2.854,1235 2.934,1236 2.698,1237 2.687,1238 3.735,1239 2.681,1240 2.734,1241 2.786,1242 2.585,1243 2.503,1244 3.691,1245 2.522,1246 0.217,1247 0.199,1248 0.312,1249 0.197,1250 0.148,1251 4.116,1252 0.194,1253 3.773,1254 0.116,1255 5.924,1256 0.436,1257 3.749,1258 0.14,1259 2.807,1260 3.687,1261 2.208,1262 8.275,1263 2.659,1264 1.916,1265 1.891,1266 2.04,1267 2.019,1268 1.234,1269 2.026,1270 1.611,1271 1.543,1272 1.874,1273 1.87,1274 1.039,1275 1.87,1276 1.58,1277 1.514,1278 1.794,1279 1.783,1280 0.918,1281 1.793,1282 1.333,1283 1.279,1284 1.577,1285 1.499,1286 0.67,1287 1.525,1288 1.185,1289 1.102,1290 1.564,1291 1.456,1292 0.622,1293 1.496,1294 0.93,1295 0.886,1296 1.155,1297 1.239,1298 0.223,1299 1.205,1300 0.854,1301 0.78,1302 1.135,1303 1.071,1304 0.169,1305 1.102,1306 0.679,1307 0.631,1308 1.012,1309 0.942,1310 0.128,1311 0.965,1312 3.664,1314 4.875,1316 6.275,1318 7.761,1320 9.294,1322 3.602,1328 2.831,1329 3.119,1330 5.269,1333 1.515,1337 5.154,1339 2.524,1340 23.214,1341 57.089,1342 134.828,1343 176.621,1344 188.621,1345 188.621,1346 188.621,1347 38.097,1348 5.746,1349 41.57,1350 41.57,1351 6,1352 11.44,1353 3.17,1354 2.807,1355 45.775,1356 64,1357 74,1358 0.354,1359 151.279,1360 268.54,1361 360.88,1362 1844,1364 14.088,1365 0.741,1366 0.604,1367 14.088,1368 11.479,1369 9.168,1370 0.483,1371 0.333,1372 6.232,1373 8.789,1374 6.008,1375 5.096,1376 9.168,1377 6.331,1378 7.347,1379 0.319,1380 0.181,1381 7.347,1382 4.16,1383 5.678,1384 0.218,1385 0.104,1386 5.678,1387 2.707,1388 3.899,1389 0.139,1390 0.052,1391 3.899,1392 1.466,1393 2.752,1394 0.089,1395 0.029,1396 2.752,1397 0.902,1398 0.562,1399 57.563,1400 0.288,1401 19.56,1402 0.944,1403 84,1404 269.449,1405 94.222,1406 258.616,1407 340.02,1408 240,1409 91,1410 237.501,1411 100.477,1412 241.006,1413 342.12,1414 223,1415 4.52}
{0 CHEMBL151922,1 1.413,2 10.524,3 4.101,4 16.815,5 84.934,6 6.41,7 0.286,8 3.84,9 3.978,10 3.253,11 3.314,12 4.906,13 3.265,14 4.377,15 4.595,16 3.517,17 3.632,18 5.381,19 3.547,20 4.598,21 4.834,22 3.548,23 3.769,24 5.539,25 3.658,26 4.716,27 4.977,28 3.516,29 3.763,30 5.673,31 3.645,32 4.606,33 4.844,34 3.473,35 3.73,36 5.637,37 3.615,38 4.557,39 4.799,40 3.364,41 3.684,42 5.565,43 3.545,44 4.47,45 4.734,46 3.19,47 3.587,48 5.357,49 3.432,50 4.31,51 4.557,52 3.079,53 3.458,54 5.299,55 3.292,56 0.037,57 0.605,58 10.526,59 4.112,60 9.807,61 5.902,62 0.353,63 0.909,64 18.673,65 6.172,66 29.596,67 9.322,68 0.188,69 1.062,70 23.025,71 7.902,72 29.767,73 11.665,74 0.338,75 1.077,76 26.393,77 8.44,78 51.016,79 12.324,80 0.275,81 1.018,82 23.506,83 7.827,84 46.242,85 11.355,86 0.29,87 0.966,88 22.253,89 7.729,90 46.428,91 11.166,92 0.232,93 0.878,94 20.219,95 7.068,96 34.738,97 10.327,98 0.207,99 0.774,100 17.109,101 6.339,102 31.79,103 9.156,104 46,105 26,106 0.249,107 0.604,108 0.826,109 0.881,110 0.881,111 0.881,112 3.101,113 1.036,114 -4.01,115 -3.96,116 -3.75,121 37.8,122 2,123 2,126 1,127 2,129 1,142 1,143 1,144 4,145 1,146 1,161 1,176 7,179 3,180 3,185 3,187 7,192 3,197 2,200 4,206 8,211 2,214 5,219 6,224 1,227 4,232 5,235 1,237 1,239 6,251 7,256 3,259 2,264 6,269 1,277 3,281 617,282 13.93,283 13.93,284 13.93,285 13.93,286 13.93,287 12.869,288 18.644,289 8.772,290 14.226,291 10.298,292 10.298,293 10.298,294 10.298,295 10.298,296 8.602,297 21.274,298 4.064,299 10.75,300 4.078,301 2.068,302 0.806,303 0.495,304 0.495,305 0.495,306 3.739,311 1,312 1,313 427,314 4.123,318 81.318,325 1.737,326 17.673,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 45,338 221,339 4.124,340 3.774,341 5.933,342 3.768,343 2.82,344 3.691,345 2.208,346 8.329,347 2.693,348 3.862,349 2.935,350 5.61,351 3.594,352 2.632,353 3.069,354 0.867,355 7.637,356 2.493,357 3.535,358 2.665,359 5.155,360 3.262,361 2.309,362 2.613,363 0.655,364 6.384,365 2.198,366 3.402,367 2.404,368 4.708,369 2.856,370 1.903,371 2.256,372 0.13,373 5.179,374 1.806,375 3.068,376 2.178,377 3.931,378 2.418,379 1.437,380 1.893,382 3.245,383 1.398,384 2.687,385 1.967,386 3.494,387 2.333,388 1.347,389 1.725,391 2.622,392 1.324,393 2.595,394 1.272,395 3.354,396 2.166,397 1.17,398 1.559,400 2.439,401 1.164,402 1.846,403 1.026,404 2.922,405 1.717,406 0.749,407 0.793,409 1.259,410 0.717,411 1.8,412 0.666,413 2.672,414 1.205,415 0.244,416 0.331,418 0.401,419 0.234,420 1.188,421 0.479,422 2.326,423 0.779,424 -0.202,425 -0.256,427 -0.467,428 -0.194,429 1.009,430 -0.019,431 2,432 0.712,433 -0.263,434 -0.316,436 -0.652,437 -0.255,438 0.492,439 -0.328,440 1.754,441 0.369,442 -0.593,443 -0.602,445 -0.918,446 -0.566,447 0.416,448 -0.413,449 1.584,451 -1,452 -1.192,454 -1.802,455 -0.971,456 0.364,457 -0.58,458 1.442,459 -0.001,460 -1,461 -1.337,463 -2.397,464 -0.983,465 0.218,466 -0.971,467 1.226,468 -0.026,469 -1,470 -1.4,472 -2.699,473 -1,474 9.967,475 0.475,476 0.438,477 0.021,478 22.5,479 1.071,480 10,481 0.476,482 12.5,483 0.595,484 17.82,485 0.849,486 24.233,487 0.539,488 16.117,489 0.767,490 4.541,491 0.216,492 5.521,493 0.263,494 0.234,496 0.241,501 0.82,502 1.531,503 0.963,504 1.32,505 0.669,506 1.178,507 0.706,508 1.041,509 0.95,510 0.987,511 0.475,512 0.983,513 1.058,514 1.161,515 1.027,516 1.142,517 0.764,518 1.082,519 1.559,520 0.889,521 1.001,522 0.86,523 1.393,524 0.865,525 1.492,526 1.035,527 1.107,528 1.012,529 1.443,530 1.016,531 1.254,532 1.055,533 1.119,534 1.074,535 1.439,536 1.089,537 1.178,538 0.904,539 1.064,540 0.939,541 1.063,542 0.985,543 0.77,544 1.156,545 1.119,546 1.252,547 0.9,548 1.243,549 4.5,550 0.066,551 1.778,552 1.375,553 0.862,554 0.458,555 0.345,556 0.24,557 0.189,558 0.111,559 3947,560 9841,561 1.868,562 53.3,563 3,564 12,565 1,567 1,569 7,572 1.63,573 1.726,574 3.385,575 -0.338,577 1,582 63.607,583 1.413,584 3.424,585 4.686,586 4.997,587 4.997,588 4.997,589 2.892,590 4.297,591 4.357,592 3.498,593 734.623,594 7.461,595 8177.68,597 1,599 1,600 247.133,601 1.475,602 4.302,603 0.214,604 0.008,605 0.068,606 0.053,607 0.034,608 0.019,609 0.016,610 0.013,611 0.013,612 0.009,613 0.449,614 0.67,615 1,616 2.317,617 97.107,618 -0.001,619 -0.246,620 0.029,621 -0.136,622 -0.032,623 -0.062,624 0.324,625 0.099,626 0.061,627 0.029,628 0.18,629 0.017,630 -0.044,631 -0.111,632 -0.036,633 -0.131,634 0.006,635 -0.084,636 -0.146,637 0.043,638 0.027,639 0.088,640 -0.086,641 0.08,642 -0.164,643 -0.042,644 -0.086,645 -0.023,646 -0.131,647 -0.043,648 -0.062,649 -0.071,650 -0.119,651 -0.072,652 -0.167,653 -0.103,654 -0.144,655 0.06,656 -0.085,657 0.047,658 -0.115,659 -0.004,660 0.094,661 -0.148,662 -0.158,663 -0.228,664 0.025,665 -0.234,666 1.993,667 4.846,668 0.286,669 19.542,670 0.991,671 1.133,672 2.781,673 7.735,674 0.629,675 3.091,676 3.296,677 3.401,678 3.526,679 3.611,680 3.555,681 3.584,682 3.611,683 3.466,684 3.258,685 6.05,686 0.584,687 288.43,688 3.091,689 4.554,690 5.323,691 6.138,692 6.93,693 7.754,694 8.557,695 9.385,696 10.194,697 11.025,698 4.4,700 1,705 1,715 4,720 2,722 6,737 1,741 45,743 8,744 1,745 21,747 45,748 17,749 6,750 2,751 4,756 1,757 1,763 2,770 3,771 2,772 7,773 8,777 1,782 1,786 1,790 1,793 24,794 4,795 1,796 4,802 2,808 1,809 2,829 1,836 1,837 1,853 1,859 1,864 3,868 21,876 4,877 1,878 1,880 1,881 1,885 1,886 1,891 1,893 4.4,896 1,898 1,901 12.167,902 8.783,903 5.028,904 2.822,907 1.399,908 1.236,909 0.893,910 7.706,911 7.334,912 3.332,913 3.701,914 4.03,915 4.432,916 4.847,917 4.848,918 5.02,919 5.268,920 5.097,921 5.026,922 1,923 26,924 7.737,926 2.976,927 0.026,929 7.778,931 14.79,933 11.03,936 2.278,937 47.833,941 270.735,942 128.776,943 21.135,945 36.145,948 128.776,949 306.88,950 21.135,951 26.047,952 12.405,953 55.916,954 25.145,955 19.429,956 58.885,957 258.964,959 270.735,960 149.911,961 36.145,964 188.338,965 118.543,968 48.066,969 84.814,970 17.031,972 270.735,973 57.28,974 128.776,977 270.735,978 24.472,979 67.076,980 35.041,981 59.466,982 270.735,983 57.28,984 128.776,986 0.546,987 0.3,988 0.152,989 0.08,990 8,991 5,992 0.178,993 8,995 1,996 3.307,997 136.155,999 6,1000 90.239,1005 17.389,1006 9.306,1007 6.549,1009 57.28,1010 7.597,1015 1.681,1017 18.011,1018 456.791,1019 27,1024 11.846,1028 -0.326,1031 44.578,1032 50.983,1034 0.257,1035 0.623,1036 0.853,1037 0.91,1038 0.91,1039 0.91,1040 4.527,1041 0.749,1042 5.263,1043 2.439,1044 3.97,1045 4.382,1046 2.458,1047 5.943,1048 3.885,1049 5.674,1050 0.244,1051 6.746,1052 1.259,1053 3.434,1054 3.951,1055 1.847,1056 6.581,1057 3.287,1058 6.923,1059 -0.202,1060 8.328,1061 0.401,1062 5.434,1063 6.305,1064 3.56,1065 9.6,1066 5.249,1067 8.198,1068 -0.263,1069 9.963,1070 -0.467,1071 5.673,1072 6.64,1073 3.656,1074 10.997,1075 5.417,1076 9.498,1077 -0.593,1078 11.632,1079 -0.652,1080 7.148,1081 8.517,1082 4.961,1083 13.511,1084 6.864,1085 10.815,1086 -1,1087 13.322,1088 -0.918,1089 7.763,1090 9.234,1091 5.37,1092 15.246,1093 7.408,1094 12.146,1095 -1,1096 15.028,1097 -1.802,1098 8.998,1099 10.889,1100 6.459,1101 17.546,1102 8.616,1103 2.82,1104 -1,1105 16.744,1106 -2.397,1107 9.806,1108 11.82,1109 7.028,1110 19.452,1111 9.355,1112 2.632,1113 8.329,1114 18.469,1115 -2.699,1116 10.925,1117 13.352,1118 7.994,1119 21.651,1120 10.446,1121 2.309,1122 7.637,1123 20.2,1124 3.691,1125 11.833,1126 14.412,1127 8.654,1128 23.647,1129 11.29,1130 1.903,1131 6.384,1132 21.936,1133 3.069,1134 12.898,1135 15.867,1136 9.549,1137 25.797,1138 12.321,1139 1.437,1140 5.179,1141 23.677,1142 2.613,1143 13.858,1144 17.01,1145 10.263,1146 27.843,1147 13.223,1148 1.347,1149 3.245,1150 25.422,1151 2.256,1152 14.897,1153 18.415,1154 11.116,1155 29.969,1156 14.225,1157 1.17,1158 2.622,1159 27.17,1160 1.893,1161 15.885,1162 19.612,1163 11.862,1164 32.041,1165 15.159,1166 4275,1167 6845,1168 13.118,1169 28.296,1170 30.693,1171 30.847,1172 30.986,1173 29.241,1174 29.221,1175 35.862,1176 7.72,1177 74.99,1178 28.056,1179 5.012,1180 5.774,1181 5.798,1182 4.834,1183 4.82,1184 6.691,1185 3.912,1186 14.42,1187 4.693,1188 12.967,1189 1.462,1190 1.469,1191 1.476,1192 1.392,1193 1.391,1194 1.708,1195 0.368,1196 3.571,1197 1.336,1198 3.952,1199 3.982,1200 3.887,1201 3.873,1202 7.433,1203 3.871,1204 3.716,1205 3.784,1206 3.605,1207 3.513,1208 5.432,1209 3.519,1210 3.657,1211 3.722,1212 3.535,1213 3.504,1214 4.812,1215 3.502,1216 3.397,1217 3.454,1218 3.263,1219 3.284,1220 4.317,1221 3.27,1222 3.354,1223 3.422,1224 3.196,1225 3.119,1226 4.248,1227 3.134,1228 3.035,1229 3.086,1230 2.855,1231 2.825,1232 4.099,1233 2.815,1234 2.945,1235 3.021,1236 2.756,1237 2.768,1238 3.872,1239 2.764,1240 2.767,1241 2.885,1242 2.591,1243 2.531,1244 3.696,1245 2.529,1246 0.196,1247 0.18,1248 0.283,1249 0.179,1250 0.134,1251 4.124,1252 0.176,1253 3.774,1254 0.105,1255 5.933,1256 0.397,1257 3.768,1258 0.128,1259 2.82,1260 3.691,1261 2.208,1262 8.329,1263 2.693,1264 1.922,1265 1.897,1266 2.05,1267 2.028,1268 1.27,1269 2.035,1270 1.673,1271 1.604,1272 1.936,1273 1.903,1274 1.18,1275 1.912,1276 1.634,1277 1.57,1278 1.847,1279 1.821,1280 0.973,1281 1.835,1282 1.404,1283 1.354,1284 1.647,1285 1.605,1286 0.715,1287 1.622,1288 1.32,1289 1.244,1290 1.635,1291 1.546,1292 0.687,1293 1.581,1294 1.006,1295 0.935,1296 1.356,1297 1.265,1298 0.497,1299 1.281,1300 0.925,1301 0.877,1302 1.29,1303 1.193,1304 0.423,1305 1.214,1306 0.81,1307 0.692,1308 1.136,1309 1.102,1310 0.172,1311 1.147,1312 3.761,1314 4.99,1316 6.399,1318 7.892,1320 9.431,1322 5.835,1328 2.977,1329 3.224,1330 5.366,1332 0.273,1333 1.573,1337 5.227,1339 2.56,1340 26.267,1341 63.607,1342 154.075,1343 210.869,1344 224.869,1345 224.869,1346 224.869,1347 49.636,1348 5.935,1349 41.57,1350 41.57,1351 6,1352 11.602,1353 3.17,1354 2.807,1355 53.821,1356 75,1357 82,1358 0.355,1359 170.464,1360 303.14,1361 407.691,1362 2346,1364 15.665,1365 0.746,1366 0.622,1367 15.665,1368 13.056,1369 10.062,1370 0.479,1371 0.345,1372 7.155,1373 9.693,1374 6.853,1375 5.857,1376 10.062,1377 7.252,1378 8.361,1379 0.322,1380 0.197,1381 8.361,1382 5.127,1383 6.098,1384 0.21,1385 0.106,1386 6.098,1387 3.069,1388 4.568,1389 0.138,1390 0.061,1391 4.568,1392 2,1393 3.255,1394 0.09,1395 0.03,1396 3.255,1397 1.098,1398 0.563,1399 62.88,1400 0.276,1401 21.281,1402 0.951,1403 94,1404 279.449,1405 104.555,1406 269.645,1407 355.88,1408 250,1409 102,1410 250.782,1411 111.81,1412 255.437,1413 362.55,1414 236,1415 4.719}
{0 CHEMBL151923,1 1.437,2 9.9,3 3.577,4 12.794,5 80.41,6 6.533,7 0.3,8 3.776,9 3.912,10 3.207,11 3.247,12 4.866,13 3.205,14 4.303,15 4.519,16 3.477,17 3.558,18 5.339,19 3.484,20 4.51,21 4.738,22 3.503,23 3.701,24 5.488,25 3.601,26 4.635,27 4.883,28 3.449,29 3.696,30 5.642,31 3.578,32 4.544,33 4.796,34 3.37,35 3.641,36 5.548,37 3.525,38 4.379,39 4.603,40 3.305,41 3.606,42 5.398,43 3.471,44 4.436,45 4.705,46 3.1,47 3.519,48 5.328,49 3.356,50 4.228,51 4.488,52 2.957,53 3.323,54 5.219,55 3.156,56 0.03,57 0.567,58 9.683,59 3.779,60 9.387,61 5.394,62 0.344,63 0.847,64 17.275,65 5.61,66 28.972,67 8.467,68 0.18,69 0.982,70 21.065,71 7.215,72 28.241,73 10.541,74 0.303,75 0.994,76 24.37,77 8.026,78 52.282,79 11.477,80 0.311,81 0.938,82 22.254,83 7.178,84 48.486,85 10.436,86 0.166,87 0.875,88 18.187,89 6.884,90 30.657,91 9.933,92 0.236,93 0.834,94 19.671,95 6.737,96 36.434,97 9.871,98 0.207,99 0.692,100 15.854,101 5.662,102 31.229,103 8.238,104 43,105 25,106 0.257,107 0.616,108 0.819,109 0.879,110 0.879,111 0.879,112 3.056,113 1.013,114 -3.77,115 -3.73,116 -3.55,121 38.1,122 2,123 1,126 1,127 2,129 1,142 1,143 1,144 4,145 1,146 1,161 1,176 6,179 3,180 3,185 3,187 7,192 2,197 2,200 4,206 8,211 2,214 5,219 4,224 1,227 4,232 5,235 1,237 1,239 6,251 5,256 3,259 2,264 4,269 1,277 1,281 514,282 13.223,283 13.223,284 13.223,285 13.223,286 13.223,287 12.162,288 18.644,289 8.167,290 13.554,291 9.76,292 9.76,293 9.76,294 9.76,295 9.76,296 8.064,297 21.274,298 3.769,299 10.221,300 3.955,301 1.952,302 0.816,303 0.482,304 0.482,305 0.482,306 3.691,310 1,311 1,312 1,313 382,314 4,318 76.446,325 1.61,326 17.117,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 43,338 198,339 4.123,340 3.773,341 5.926,342 3.766,343 2.817,344 3.691,345 2.208,346 8.301,347 2.693,348 3.857,349 2.935,350 5.608,351 3.587,352 2.627,353 3.065,354 0.867,355 7.608,356 2.484,357 3.535,358 2.664,359 5.152,360 3.259,361 2.305,362 2.611,363 0.655,364 6.363,365 2.195,366 3.4,367 2.402,368 4.706,369 2.848,370 1.895,371 2.256,372 0.13,373 5.168,374 1.799,375 3.066,376 2.139,377 3.836,378 2.364,379 1.386,380 1.892,382 2.96,383 1.351,384 2.671,385 1.966,386 3.488,387 2.246,388 1.267,389 1.72,391 2.561,392 1.229,393 2.5,394 1.272,395 3.354,396 2.125,397 1.131,398 1.424,400 2.436,401 1.115,402 1.8,403 0.696,404 2.717,405 1.205,406 0.245,407 0.331,409 0.401,410 0.235,411 1.214,412 0.48,413 2.635,414 1.132,415 0.175,416 0.179,418 0.239,419 0.166,420 1.173,421 0.373,422 2,423 0.775,424 -0.213,425 -0.266,427 -0.483,428 -0.208,429 1.009,430 -0.019,431 2,432 0.704,433 -0.275,434 -0.339,436 -0.685,437 -0.265,438 0.481,439 -0.375,440 1.636,442 -1,443 -1.191,445 -1.802,446 -0.971,447 0.366,448 -0.58,449 1.544,450 -0.001,451 -1,452 -1.325,454 -2.396,455 -0.983,456 0.218,457 -0.923,458 1.283,459 -0.026,460 -1,461 -1.359,463 -2.694,464 -1,465 -0.189,466 -1,467 1.075,468 -0.37,469 -1.305,470 -1.447,472 -2.852,473 -1.223,474 9.467,475 0.473,476 0.438,477 0.022,478 22,479 1.1,480 10,481 0.5,482 12,483 0.6,484 16.149,485 0.807,486 22.933,487 0.546,488 15.692,489 0.785,490 4.563,491 0.228,492 4.999,493 0.25,494 0.246,496 0.254,501 0.821,502 1.533,503 0.94,504 1.309,505 0.673,506 1.16,507 0.712,508 1.011,509 0.923,510 0.948,511 0.479,512 0.945,513 1.104,514 1.12,515 1.049,516 1.13,517 0.786,518 1.079,519 1.523,520 0.985,521 1.041,522 0.968,523 1.409,524 0.956,525 1.536,526 0.866,527 1.064,528 0.831,529 1.488,530 0.883,531 0.734,532 1.263,533 1.097,534 1.299,535 0.959,536 1.26,537 1.151,538 0.904,539 1.071,540 0.946,541 1.051,542 0.995,543 0.774,544 1.078,545 1.054,546 1.171,547 0.89,548 1.164,549 4.5,550 0.05,551 1.778,552 1.25,553 0.782,554 0.458,555 0.345,556 0.24,557 0.177,558 0.096,559 3398,560 8964,561 1.861,562 52.4,564 12,565 1,567 1,569 8,572 1.616,573 1.714,574 3.302,575 -0.32,577 1,579 1,582 60.37,583 1.437,584 3.44,585 4.576,586 4.91,587 4.91,588 4.91,589 2.771,590 3.204,591 4.288,592 3.42,593 649.712,594 7.321,595 6933.03,596 1,597 1,599 1,600 226.477,601 1.5,602 4.228,603 0.225,604 0.007,605 0.071,606 0.05,607 0.034,608 0.021,609 0.017,610 0.015,611 0.014,612 0.01,613 0.463,614 0.67,615 1,616 2.261,617 90.549,618 -0.007,619 -0.26,620 0.03,621 -0.144,622 -0.043,623 -0.066,624 0.324,625 0.126,626 0.08,627 0.054,628 0.18,629 0.041,630 -0.074,631 -0.062,632 -0.062,633 -0.119,634 -0.007,635 -0.086,636 -0.143,637 -0.063,638 -0.022,639 0.001,640 -0.086,641 0.002,642 -0.207,643 0.089,644 -0.046,645 0.129,646 -0.18,647 0.07,648 0.049,649 -0.211,650 -0.15,651 -0.241,652 -0.083,653 -0.228,654 -0.14,655 0.035,656 -0.097,657 0.024,658 -0.123,659 -0.023,660 0.112,661 -0.113,662 -0.096,663 -0.181,664 0.051,665 -0.176,666 2.011,667 4.688,668 0.3,669 17.5,670 0.993,671 1.133,672 2.538,673 6.441,674 0.632,675 3.045,676 3.258,677 3.367,678 3.466,679 3.555,680 3.526,681 3.526,682 3.555,683 3.367,684 3.135,685 5.765,686 0.589,687 274.4,688 3.045,689 4.511,690 5.283,691 6.098,692 6.893,693 7.716,694 8.52,695 9.348,696 10.156,697 10.988,698 4.8,700 1,705 1,715 4,720 2,722 6,737 1,741 42,743 8,744 1,745 20,747 42,748 16,749 6,750 2,751 4,756 1,757 1,763 2,770 2,771 2,772 7,773 7,777 1,782 1,786 1,789 1,790 1,793 22,794 4,795 1,796 4,802 2,808 1,809 2,829 1,836 1,837 1,853 1,859 1,864 3,868 20,876 3,877 1,878 1,880 1,881 1,885 1,886 1,891 1,893 4.8,896 1,898 1,901 11.667,902 8.283,903 4.778,904 2.572,907 1.412,908 1.242,909 0.892,910 6.964,911 7.255,912 3.296,913 3.676,914 4.012,915 4.408,916 4.823,917 4.84,918 5,919 5.244,920 5.041,921 4.941,922 0.857,923 25,924 7.355,926 2.828,927 0.026,929 7.817,931 13.974,933 10.363,936 2.317,937 46.333,938 0.001,941 247.193,942 126.241,943 21.135,945 36.145,948 126.241,949 283.338,950 21.135,951 26.047,952 9.87,953 55.916,954 25.145,955 19.429,956 58.885,957 235.422,959 247.193,960 147.376,961 36.145,964 153.024,965 130.314,968 45.531,969 84.814,970 17.031,972 247.193,973 57.28,974 126.241,977 247.193,978 21.937,979 67.076,980 35.041,981 59.466,982 247.193,983 57.28,984 126.241,986 0.552,987 0.307,988 0.145,989 0.075,990 8,991 5,992 0.167,993 7,995 1,996 3.196,997 127.567,999 6,1000 86.439,1005 16.392,1006 8.497,1007 5.902,1009 57.28,1010 7.562,1015 1.67,1017 18.011,1018 430.714,1019 26,1024 11.688,1028 -0.344,1031 41.694,1032 47.567,1034 0.267,1035 0.638,1036 0.849,1037 0.911,1038 0.911,1039 0.911,1040 4.494,1041 0.245,1042 5.231,1043 2.436,1044 3.932,1045 4.357,1046 2.458,1047 5.916,1048 3.843,1049 5.65,1050 0.175,1051 6.723,1052 0.401,1053 3.434,1054 3.951,1055 1.847,1056 6.581,1057 3.287,1058 6.904,1059 -0.213,1060 8.31,1061 0.239,1062 5.407,1063 6.294,1064 3.56,1065 9.577,1066 5.22,1067 8.183,1068 -0.275,1069 9.949,1070 -0.483,1071 5.673,1072 6.64,1073 3.656,1074 10.985,1075 5.417,1076 9.487,1077 -1,1078 11.62,1079 -0.685,1080 7.127,1081 8.512,1082 4.961,1083 13.486,1084 6.842,1085 10.806,1086 -1,1087 13.311,1088 -1.802,1089 7.757,1090 9.233,1091 5.37,1092 15.224,1093 7.402,1094 12.138,1095 -1,1096 15.017,1097 -2.396,1098 8.98,1099 10.886,1100 6.459,1101 17.516,1102 8.598,1103 2.817,1104 -1.305,1105 16.734,1106 -2.694,1107 9.795,1108 11.819,1109 7.028,1110 19.422,1111 9.345,1112 2.627,1113 8.301,1114 18.458,1115 -2.852,1116 10.908,1117 13.35,1118 7.994,1119 21.615,1120 10.43,1121 2.305,1122 7.608,1123 20.189,1124 3.691,1125 11.818,1126 14.411,1127 8.654,1128 23.61,1129 11.277,1130 1.895,1131 6.363,1132 21.925,1133 3.065,1134 12.879,1135 15.866,1136 9.549,1137 25.755,1138 12.306,1139 1.386,1140 5.168,1141 23.665,1142 2.611,1143 13.84,1144 17.009,1145 10.263,1146 27.798,1147 13.208,1148 1.267,1149 2.96,1150 25.409,1151 2.256,1152 14.877,1153 18.414,1154 11.116,1155 29.92,1156 14.21,1157 1.131,1158 2.561,1159 27.156,1160 1.892,1161 15.865,1162 19.611,1163 11.862,1164 31.99,1165 15.143,1166 3698,1167 6092,1168 12.425,1169 26.534,1170 29.104,1171 29.201,1172 29.843,1173 27.695,1174 27.696,1175 34.336,1176 7.72,1177 72.072,1178 26.534,1179 4.997,1180 5.773,1181 5.79,1182 4.825,1183 4.817,1184 6.691,1185 3.912,1186 14.348,1187 4.693,1188 12.508,1189 1.455,1190 1.46,1191 1.492,1192 1.385,1193 1.385,1194 1.717,1195 0.386,1196 3.604,1197 1.327,1198 3.951,1199 3.98,1200 3.886,1201 3.872,1202 7.433,1203 3.87,1204 3.69,1205 3.755,1206 3.587,1207 3.509,1208 5.432,1209 3.511,1210 3.644,1211 3.713,1212 3.526,1213 3.433,1214 4.812,1215 3.448,1216 3.381,1217 3.438,1218 3.249,1219 3.282,1220 4.318,1221 3.267,1222 3.223,1223 3.29,1224 3.061,1225 2.97,1226 4.245,1227 2.981,1228 3.015,1229 3.083,1230 2.788,1231 2.819,1232 4.077,1233 2.799,1234 2.944,1235 3.021,1236 2.745,1237 2.76,1238 3.735,1239 2.752,1240 2.751,1241 2.857,1242 2.586,1243 2.51,1244 3.696,1245 2.527,1246 0.206,1247 0.189,1248 0.296,1249 0.188,1250 0.141,1251 4.123,1252 0.185,1253 3.773,1254 0.11,1255 5.926,1256 0.415,1257 3.766,1258 0.135,1259 2.817,1260 3.691,1261 2.208,1262 8.301,1263 2.693,1264 1.922,1265 1.897,1266 2.05,1267 2.027,1268 1.27,1269 2.035,1270 1.643,1271 1.583,1272 1.877,1273 1.879,1274 1.039,1275 1.877,1276 1.598,1277 1.524,1278 1.844,1279 1.812,1280 0.972,1281 1.827,1282 1.402,1283 1.351,1284 1.636,1285 1.551,1286 0.687,1287 1.584,1288 1.188,1289 1.108,1290 1.568,1291 1.472,1292 0.623,1293 1.506,1294 1.005,1295 0.93,1296 1.356,1297 1.264,1298 0.497,1299 1.281,1300 0.925,1301 0.875,1302 1.147,1303 1.192,1304 0.175,1305 1.195,1306 0.74,1307 0.645,1308 1.08,1309 1.018,1310 0.13,1311 1.046,1312 3.714,1314 4.949,1316 6.365,1318 7.862,1320 9.403,1322 5.676,1328 1.999,1329 3.216,1330 5.305,1332 0.273,1333 1.518,1337 5.216,1339 2.555,1340 24.74,1341 60.37,1342 144.477,1343 192.213,1344 206.213,1345 206.213,1346 206.213,1347 44.217,1348 5.844,1349 41.57,1350 41.57,1351 6,1352 11.565,1353 3.17,1354 2.807,1355 49.675,1356 69,1357 74,1358 0.363,1359 160.871,1360 285.84,1361 384.286,1362 2052,1364 14.958,1365 0.748,1366 0.617,1367 14.958,1368 12.349,1369 9.562,1370 0.478,1371 0.338,1372 6.655,1373 9.185,1374 6.366,1375 5.424,1376 9.562,1377 6.752,1378 7.98,1379 0.319,1380 0.189,1381 7.98,1382 4.72,1383 5.998,1384 0.214,1385 0.107,1386 5.998,1387 2.984,1388 4.23,1389 0.136,1390 0.055,1391 4.23,1392 1.703,1393 2.999,1394 0.088,1395 0.03,1396 2.999,1397 1.016,1398 0.573,1399 59.88,1400 0.284,1401 20.317,1402 0.979,1403 90,1404 275.449,1405 100.555,1406 265.358,1407 350.06,1408 246,1409 98,1410 246.782,1411 107.644,1412 250.98,1413 356.13,1414 232,1415 4.47}
{0 CHEMBL152260,1 1.569,2 12.815,3 0.966,4 0.933,5 102.506,6 6.991,7 0.172,8 4.06,9 4.197,10 3.562,11 3.505,12 5.139,13 3.493,14 4.642,15 4.849,16 3.872,17 3.899,18 5.571,19 3.856,20 4.932,21 5.181,22 3.853,23 4.03,24 5.868,25 3.925,26 4.95,27 5.227,28 3.825,29 4.02,30 5.909,31 3.893,32 4.878,33 5.14,34 3.709,35 3.929,36 5.83,37 3.814,38 4.771,39 5.042,40 3.565,41 3.805,42 5.801,43 3.681,44 4.566,45 4.818,46 3.459,47 3.665,48 5.537,49 3.55,50 4.516,51 4.787,52 3.392,53 3.591,54 5.393,55 3.476,56 0.047,57 0.804,58 12.059,59 4.296,60 16.667,61 6.369,62 0.244,63 1.244,64 23.266,65 6.943,66 22.147,67 10.824,68 0.6,69 1.43,70 32.83,71 9.512,72 55.512,73 14.825,74 0.423,75 1.428,76 33.334,77 10.427,78 67.792,79 16.129,80 0.446,81 1.291,82 31.338,83 9.107,84 60.807,85 14.13,86 0.575,87 1.156,88 28.381,89 7.666,90 77.026,91 12.334,92 0.285,93 0.982,94 22.43,95 6.937,96 44.019,97 10.604,98 0.297,99 0.907,100 21.649,101 6.381,102 36.035,103 10.074,104 15,105 38,106 0.263,107 0.569,108 0.736,109 0.859,110 0.878,111 0.884,112 3.339,113 0.974,114 -0.35,115 -0.48,116 -0.64,121 35.8,123 2,127 8,129 1,138 1,141 1,144 2,154 2,160 2,176 2,180 6,183 1,185 2,191 1,192 2,195 3,197 2,205 3,206 1,209 2,211 1,219 1,223 1,224 1,227 1,231 1,232 2,235 2,237 1,239 2,244 1,247 2,249 1,251 1,256 1,259 1,261 2,264 1,268 1,273 1,274 2,277 1,281 1148,282 18.602,283 18.602,284 18.602,285 18.602,286 18.602,287 17.539,288 28.6,289 11.212,290 18.997,291 14.219,292 14.219,293 14.219,294 14.219,295 14.219,296 12.378,297 38.093,298 5.165,299 14.887,300 4.159,301 2.335,302 1.34,303 0.604,304 0.491,305 0.453,306 4.021,311 1,312 1,313 731,314 3.606,317 172.526,318 100.667,325 2.071,326 27.704,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 59,338 346,339 4.392,340 4.259,341 6.5,342 3.96,343 3.018,344 3.798,345 2.689,346 10.151,347 2.846,348 4.13,349 3.869,350 5.738,351 3.783,352 2.806,353 3.736,354 1.539,355 8.169,356 2.753,357 3.645,358 3.209,359 5.445,360 3.534,361 2.579,362 2.685,363 0.916,364 7.281,365 2.448,366 3.581,367 3.091,368 5.201,369 3.127,370 2.17,371 2.465,372 0.886,373 6.153,374 2.07,375 3.303,376 2.827,377 4.935,378 3.045,379 2.083,380 2.362,381 0.657,382 5.813,383 2.003,384 3.24,385 2.45,386 4.595,387 2.709,388 1.767,389 1.871,390 0.4,391 4.857,392 1.656,393 2.868,394 2.277,395 3.999,396 2.453,397 1.505,398 1.608,399 0.172,400 3.4,401 1.422,402 2.8,403 2.09,404 3.539,405 2.168,406 1.19,407 1.303,409 2.624,410 1.161,411 2.464,412 1.756,413 3.479,414 2.024,415 1.103,416 1.22,418 2.547,419 1.015,420 2.236,421 1.457,422 3.397,423 1.878,424 0.928,425 1.168,427 2.131,428 0.879,429 2.175,430 1.26,431 3.274,432 1.732,433 0.738,434 1.095,436 1.755,437 0.733,438 2.102,439 1.069,440 2.915,441 1.547,442 0.618,443 1.027,445 0.791,446 0.572,447 1.526,448 0.835,449 2.717,450 1.272,451 0.321,452 0.341,454 0.745,455 0.304,456 1.384,457 0.522,458 2.618,459 0.859,460 -0.103,461 -0.112,463 -0.271,464 -0.099,465 0.991,466 0.152,467 2.312,468 0.664,469 -0.264,470 -0.415,472 -0.383,473 -0.245,474 12.567,475 0.465,476 0.482,477 0.018,478 29.25,479 1.083,480 11,481 0.407,482 18.25,483 0.676,484 24.58,485 0.91,486 30.633,487 0.578,488 20.653,489 0.765,490 5.69,491 0.211,492 7.5,493 0.278,494 0.09,496 0.263,501 0.986,502 1.597,503 0.872,504 1.274,505 0.609,506 1.083,507 1.129,508 1.183,509 1.018,510 1.085,511 0.546,512 1.025,513 1.145,514 1.008,515 1.078,516 1.001,517 0.706,518 1.037,519 0.704,520 0.955,521 0.862,522 1.036,523 0.519,524 0.989,525 1.243,526 1.005,527 1.043,528 1.001,529 1.08,530 1.005,531 1.093,532 0.852,533 1.115,534 0.925,535 1.337,536 1.004,537 1.017,538 1.058,539 1.053,540 1.143,541 0.893,542 1.117,543 0.945,544 0.955,545 0.922,546 0.958,547 0.742,548 0.941,549 5,550 0.114,551 2.222,552 1.819,553 0.922,554 0.598,555 0.328,556 0.203,557 0.176,558 0.106,559 10213,560 27143,561 2.057,562 49.1,564 19,567 3,569 4,572 1.693,573 1.952,574 3.639,575 0.981,577 1,582 83.148,583 1.569,584 3.393,585 4.388,586 5.124,587 5.237,588 5.275,589 3.056,590 4.533,591 4.73,592 3.857,593 1353.83,594 8.164,595 19014.3,597 1,600 303.58,601 1.277,602 4.698,603 0.172,604 0.006,605 0.058,606 0.052,607 0.027,608 0.02,609 0.013,610 0.009,611 0.008,612 0.005,613 0.371,614 0.33,615 1,616 0.983,617 138.598,618 -0.087,619 -0.282,620 0.043,621 -0.097,622 0.044,623 -0.018,624 -0.132,625 -0.022,626 -0.056,627 -0.049,628 -0.009,629 -0.033,630 -0.023,631 -0.025,632 -0.086,633 -0.013,634 0.03,635 -0.06,636 0.117,637 -0.014,638 0.102,639 -0.04,640 0.181,641 0.014,642 -0.131,643 -0.077,644 -0.048,645 -0.018,646 -0.138,647 -0.024,648 -0.007,649 0.102,650 -0.114,651 0.015,652 -0.159,653 -0.05,654 -0.039,655 -0.078,656 -0.08,657 -0.135,658 -0.025,659 -0.12,660 0.001,661 -0.019,662 0.057,663 0.028,664 -0.039,665 0.051,666 1.559,667 3.751,668 0.593,669 28.241,670 1.002,671 1.143,672 -0.882,673 0.778,674 0.633,675 3.401,676 3.664,677 3.892,678 4.111,679 4.111,680 4.094,681 4.094,682 4.143,683 4.205,684 4.263,685 7.819,686 0.6,687 370.51,688 3.401,689 4.905,690 5.727,691 6.575,692 7.409,693 8.261,694 9.1,695 9.953,696 10.793,697 11.646,698 11.3,700 2,701 2,707 2,715 2,718 1,720 2,722 5,741 53,743 8,745 29,747 55,748 19,749 4,756 3,757 3,767 3,770 3,771 2,772 6,773 11,777 1,786 2,789 1,790 1,792 1,793 26,794 8,795 3,796 8,802 6,808 1,809 2,811 1,828 2,829 1,838 2,850 1,853 2,855 2,857 1,859 3,868 27,875 1,876 10,877 2,880 1,881 2,885 2,889 2,891 2,893 3.8,894 1,898 1,901 13.833,902 9.167,903 6.222,904 3.286,907 1.58,908 1.222,909 0.922,910 7.144,911 8.699,912 3.624,913 4.012,914 4.487,915 4.92,916 4.95,917 5.009,918 5.11,919 5.17,920 5.335,921 5.548,922 1,923 35,924 9.981,926 4.147,927 0.026,929 7.815,931 19.247,933 15.693,936 2.315,937 62.5,941 270.735,942 90.482,943 104.389,945 52.191,948 90.482,949 322.926,950 104.389,952 21.915,953 97.657,954 33.203,955 83.388,956 10.898,957 270.735,959 270.735,960 194.871,961 52.191,964 223.651,965 56.592,966 42.683,968 126.304,969 68.567,972 270.735,973 156.58,974 90.482,977 270.735,978 38.326,979 25.201,980 69.225,981 114.309,982 270.735,983 156.58,984 90.482,986 0.561,987 0.331,988 0.183,989 0.084,990 16,991 7,992 0.127,993 7,995 1,996 4.071,997 208.801,999 16,1000 124.382,1005 19.728,1006 9.778,1007 5.477,1009 156.58,1010 3.976,1013 5.881,1015 1.801,1017 78.705,1018 517.797,1019 36.5,1028 0.761,1031 53.101,1032 60.561,1034 0.274,1035 0.592,1036 0.766,1037 0.895,1038 0.914,1039 0.921,1040 4.877,1041 1.19,1042 5.673,1043 3.4,1044 4.344,1045 4.696,1046 3.185,1047 6.415,1048 4.254,1049 6.03,1050 1.103,1051 7.185,1052 2.624,1053 3.761,1054 4.248,1055 0.57,1056 7.182,1057 3.622,1058 7.3,1059 0.928,1060 8.793,1061 2.547,1062 5.866,1063 6.673,1064 4.78,1065 10.245,1066 5.691,1067 8.6,1068 0.738,1069 10.462,1070 2.131,1071 6.155,1072 7.171,1073 0.637,1074 11.888,1075 5.928,1076 9.935,1077 0.618,1078 12.171,1079 1.755,1080 7.658,1081 8.982,1082 6.667,1083 14.439,1084 7.395,1085 11.294,1086 0.321,1087 13.909,1088 0.791,1089 8.353,1090 9.913,1091 0.607,1092 16.454,1093 8.038,1094 12.672,1095 -0.103,1096 15.668,1097 0.745,1098 9.608,1099 11.465,1100 8.619,1101 18.838,1102 9.254,1103 3.018,1104 -0.264,1105 17.444,1106 -0.271,1107 10.5,1108 12.601,1109 0.548,1110 21.016,1111 10.094,1112 2.806,1113 10.151,1114 19.234,1115 -0.383,1116 11.65,1117 14.036,1118 10.59,1119 23.346,1120 11.202,1121 2.579,1122 8.169,1123 21.035,1124 3.798,1125 12.639,1126 15.271,1127 0.481,1128 25.597,1129 12.137,1130 2.17,1131 7.281,1132 22.846,1133 3.736,1134 13.745,1135 16.65,1136 12.566,1137 27.912,1138 13.198,1139 2.083,1140 6.153,1141 24.666,1142 2.685,1143 14.78,1144 17.932,1145 0.415,1146 30.196,1147 14.18,1148 1.767,1149 5.813,1150 26.492,1151 2.465,1152 15.87,1153 19.286,1154 14.544,1155 32.507,1156 15.221,1157 1.505,1158 4.857,1159 28.325,1160 2.362,1161 16.93,1162 20.591,1163 0.355,1164 34.807,1165 16.227,1166 9918,1167 16298,1168 19.474,1169 33.557,1170 44.452,1171 46.804,1172 43.329,1173 41.718,1174 41.652,1175 49.357,1176 14.521,1177 112.837,1178 39.725,1179 5.392,1180 6.153,1181 6.189,1182 5.018,1183 5.018,1184 6.553,1185 5.379,1186 16.833,1187 4.783,1188 12.332,1189 1.533,1190 1.614,1191 1.494,1192 1.439,1193 1.436,1194 1.702,1195 0.501,1196 3.891,1197 1.37,1198 3.983,1199 4.019,1200 3.919,1201 3.819,1202 6.856,1203 3.838,1204 3.881,1205 3.938,1206 3.825,1207 3.711,1208 6.782,1209 3.733,1210 3.801,1211 3.846,1212 3.684,1213 3.642,1214 6.449,1215 3.644,1216 3.524,1217 3.595,1218 3.427,1219 3.344,1220 5.038,1221 3.354,1222 3.401,1223 3.469,1224 3.277,1225 3.209,1226 4.512,1227 3.213,1228 3.21,1229 3.291,1230 3.048,1231 3.015,1232 4.237,1233 3.008,1234 3.146,1235 3.222,1236 2.935,1237 2.945,1238 4.17,1239 2.931,1240 2.995,1241 3.097,1242 2.915,1243 2.768,1244 3.663,1245 2.759,1246 0.151,1247 0.147,1248 0.224,1249 0.137,1250 0.104,1251 4.392,1252 0.131,1253 4.259,1254 0.093,1255 6.5,1256 0.35,1257 3.96,1258 0.098,1259 3.018,1260 3.798,1261 2.689,1262 10.151,1263 2.846,1264 1.823,1265 1.766,1266 2.032,1267 2.021,1268 1.383,1269 2.027,1270 1.705,1271 1.654,1272 1.89,1273 1.917,1274 1.173,1275 1.912,1276 1.601,1277 1.559,1278 1.749,1279 1.776,1280 1.002,1281 1.753,1282 1.526,1283 1.477,1284 1.713,1285 1.724,1286 0.931,1287 1.733,1288 1.476,1289 1.423,1290 1.665,1291 1.677,1292 0.855,1293 1.684,1294 1.31,1295 1.242,1296 1.533,1297 1.522,1298 0.773,1299 1.53,1300 1.145,1301 1.071,1302 1.477,1303 1.4,1304 0.622,1305 1.427,1306 1.026,1307 0.936,1308 1.333,1309 1.294,1310 0.53,1311 1.31,1312 4.078,1314 5.352,1315 3.045,1316 6.801,1317 5.283,1318 8.332,1319 7.261,1320 9.906,1327 9.751,1328 7.959,1329 6.447,1332 -0.226,1333 4.24,1338 18.033,1339 3.876,1340 31.826,1341 83.148,1342 179.831,1343 232.56,1344 271.58,1345 277.58,1346 279.58,1347 54.001,1348 7.12,1349 111.49,1350 111.49,1351 16,1352 12.204,1353 3.17,1354 3.087,1355 47.448,1356 130,1357 100,1358 0.176,1359 199.111,1360 354.38,1361 477.591,1362 13258,1364 19.062,1365 0.706,1366 0.572,1367 19.062,1368 15.447,1369 13.19,1370 0.455,1371 0.325,1372 9.249,1373 12.57,1374 9.104,1375 7.485,1376 13.19,1377 9.413,1378 11.134,1379 0.293,1380 0.183,1381 11.134,1382 6.937,1383 9.171,1384 0.191,1385 0.102,1386 9.171,1387 4.886,1388 7.678,1389 0.128,1390 0.059,1391 7.678,1392 3.557,1393 5.086,1394 0.085,1395 0.036,1396 5.086,1397 2.188,1398 0.29,1399 83.384,1400 0.227,1401 26.795,1402 0.448,1403 134,1404 395.131,1405 149.359,1406 381.59,1407 507.42,1408 356,1409 153,1410 358.109,1411 169.527,1412 360.357,1413 518.36,1414 338,1415 6.432}
{0 CHEMBL1523,1 1.48,2 5.789,3 0.656,4 0.43,5 72.241,6 7.204,7 0.273,8 3.723,9 3.824,10 3.264,11 3.257,12 4.76,13 3.244,14 4.314,15 4.455,16 3.713,17 3.748,18 5.311,19 3.715,20 4.705,21 4.887,22 3.911,23 4.003,24 5.703,25 3.941,26 4.818,27 5.027,28 3.81,29 4.005,30 5.736,31 3.905,32 4.709,33 4.946,34 3.529,35 3.797,36 5.617,37 3.669,38 4.505,39 4.766,40 3.032,41 3.402,42 5.51,43 3.237,44 4.109,45 4.432,46 2.385,47 2.707,48 5.236,49 2.502,50 3.227,51 3.566,52 0.8,53 1.7,54 4.159,55 1.437,56 0.061,57 0.502,58 8.126,59 3.67,60 11.531,61 4.547,62 0.115,63 0.882,64 15.409,65 6.552,66 18.097,67 8.391,68 0.334,69 1.218,70 24.366,71 9.624,72 43.822,73 12.661,74 0.407,75 1.315,76 28.192,77 10.584,78 48.274,79 14.273,80 0.356,81 1.151,82 25.976,83 9.137,84 36.507,85 12.689,86 0.391,87 0.862,88 22.273,89 7.027,90 52.657,91 9.838,92 0.441,93 0.51,94 16.34,95 4.352,96 62.841,97 6.478,98 0.202,99 0.188,100 7.013,101 1.619,102 26.61,103 2.358,104 5,105 34,106 0.273,107 0.68,108 0.871,109 0.912,110 0.912,111 0.912,112 3.016,113 0.928,114 -2.67,115 -2.69,116 -2.61,121 41.7,123 2,125 1,127 2,129 2,137 2,144 2,145 2,146 2,176 7,180 3,185 5,187 9,192 4,195 1,197 6,200 9,206 2,209 1,211 5,214 5,222 1,224 7,227 5,236 1,237 2,239 1,248 2,249 2,281 329,282 12.963,283 12.963,284 12.963,285 12.963,286 12.963,287 12.067,288 21.566,289 7.329,290 13.199,291 10.836,292 10.836,293 10.836,294 10.836,295 10.836,296 9.373,297 32.562,298 3.43,299 11.258,300 3.69,301 1.478,302 0.444,303 0.222,304 0.222,305 0.222,306 3.714,311 1,312 1,313 246,314 2.449,317 17.761,318 51.582,319 28.831,321 73.108,322 40.079,323 47.215,324 51.621,325 0.875,326 22.788,329 1,330 0.83,331 1,332 1,333 0.5,334 1,335 1,336 0.9,337 41.5,338 110,339 4.864,340 4.062,341 8.073,342 4.709,343 3.725,344 4.346,345 0.86,346 15.702,347 3.669,348 4.069,349 3.03,350 6.443,351 3.748,352 2.775,353 3.384,354 0.765,355 9.653,356 2.697,357 3.603,358 2.801,359 5.727,360 3.327,361 2.377,362 2.891,363 0.68,364 7.453,365 2.245,366 3.337,367 2.632,368 5.203,369 3.165,370 2.203,371 2.412,372 0.657,373 6.261,374 2.111,375 2.931,376 2.174,377 4.847,378 2.631,379 1.696,380 2.024,382 4.943,383 1.577,384 2.811,385 1.868,386 4.645,387 2.529,388 1.579,389 1.815,391 4.367,392 1.496,393 2.544,394 1.63,395 3.913,396 2.364,397 1.408,398 1.545,400 3.182,401 1.34,402 2.092,403 1.009,404 3.725,405 1.676,406 0.71,407 0.883,409 1.776,410 0.682,411 1.629,412 0.785,413 3.226,414 1.389,415 0.461,416 0.519,418 1.095,419 0.423,420 1.1,421 0.212,422 2.929,423 0.873,424 -0.086,425 -0.097,427 -0.205,428 -0.082,429 0.995,430 0.196,431 2.788,432 0.753,433 -0.179,434 -0.2,436 -0.464,437 -0.165,438 0.54,439 -0.154,440 2.659,441 0.353,442 -0.58,443 -0.607,445 -1.627,446 -0.53,447 0.308,448 -0.396,449 2.546,450 0.084,451 -0.868,452 -0.946,454 -2.432,455 -0.824,456 -0.013,457 -0.736,458 2.163,459 -0.161,460 -1.127,461 -1.283,463 -2.959,464 -1.057,465 -0.097,466 -0.972,467 2,468 -0.295,469 -1.208,470 -1.326,472 -3.39,473 -1.132,474 8.9,475 0.468,476 0.553,477 0.029,478 20.5,479 1.079,480 8,481 0.421,482 12.5,483 0.658,484 17.257,485 0.908,486 21.1,487 0.586,488 13.291,489 0.7,490 3.736,491 0.197,492 5.469,493 0.288,494 0.075,495 0.056,496 0.337,501 0.969,502 1.073,503 0.838,504 0.974,505 0.991,506 0.892,507 0.897,508 1.068,509 0.885,510 1.042,511 0.691,512 0.964,513 0.873,514 1.039,515 0.909,516 1.024,517 0.768,518 0.982,519 0.901,520 1.133,521 1.037,522 1.122,523 0.719,524 1.111,525 0.931,526 1.128,527 1.087,528 1.134,529 0.761,530 1.139,531 1.2,532 1.055,533 1.204,534 1.106,535 1.538,536 1.149,537 1.111,538 0.615,539 0.89,540 0.661,541 1.463,542 0.723,543 1.982,544 0.249,545 1.202,546 0.286,547 2.612,548 0.55,549 4.5,551 3.111,552 2.389,553 1.597,554 0.608,555 0.364,556 0.082,559 2791,560 6928,561 2.192,562 47.2,564 10,567 3,569 2,570 2,572 1.616,573 2.054,574 2.547,575 1.096,577 1,579 1,582 53.272,583 1.48,584 3.692,585 4.725,586 4.948,587 4.948,588 4.948,589 1.899,590 4.037,591 4.224,592 2.613,593 446.852,594 7.255,595 4156.85,597 1,600 186.117,601 1.578,602 4.175,603 0.205,605 0.092,606 0.06,607 0.047,608 0.025,609 0.03,610 0.016,613 0.475,614 0.67,615 1,616 0.565,617 77.575,618 -0.121,619 0.101,620 0.026,621 0.128,622 -0.144,623 0.11,624 -0.084,625 0.061,627 0.02,628 -0.015,629 0.032,630 0.02,631 -0.009,632 0.019,633 0.003,634 0.02,635 0.01,636 -0.002,637 -0.151,638 -0.091,639 -0.125,640 -0.017,641 -0.127,642 -0.039,643 -0.165,644 -0.121,645 -0.174,646 -0.014,647 -0.167,648 -0.089,649 -0.16,650 -0.181,651 -0.198,652 -0.146,653 -0.207,654 0.165,655 0.172,656 0.222,657 0.173,658 0.205,659 0.203,660 -0.369,661 0.471,662 -0.017,663 0.496,664 -0.456,665 0.336,666 1.785,667 4.063,668 0.895,669 9.069,670 1.004,671 1.124,672 1.439,673 2.069,674 0.652,675 3.135,676 3.555,677 3.951,678 4.344,679 4.691,680 4.868,681 4.99,682 5.124,683 5.106,684 5.112,685 3.698,686 0.622,687 259.33,688 3.135,689 4.727,690 5.645,691 6.597,692 7.545,693 8.505,694 9.463,695 10.426,696 11.387,697 12.351,698 2.8,700 1,715 2,720 4,722 6,738 1,739 1,741 36,743 7,744 1,745 22,747 39,748 15,749 6,750 4,751 2,756 4,757 12,764 1,766 1,767 4,770 4,772 8,773 7,777 1,784 2,789 1,790 1,793 17,794 4,795 3,796 4,802 1,808 0.25,809 3,811 1,828 1,829 2,830 1,832 2,833 1,834 1,835 1,849 2,853 1,857 1,859 1,868 19,875 2,876 4,877 1,878 1,880 2,882 1,893 8.3,894 1,895 1,898 1,901 9.25,902 6.067,903 4,904 2.214,907 1.596,908 1.216,909 0.93,910 2.385,911 8.983,912 3.296,913 3.882,914 4.486,915 5.068,916 5.616,917 5.903,918 6.192,919 6.513,920 6.651,921 6.834,922 0.75,923 40,924 7.108,926 3.287,927 0.026,929 7.741,931 13.803,933 12.631,936 2.241,937 42.583,938 0.002,941 164.795,942 58.8,943 18.011,945 96.367,948 58.8,949 261.162,950 18.011,952 9.28,953 98.599,954 42.683,955 22.614,957 164.795,959 164.795,960 76.811,961 96.367,964 117.711,965 100.768,966 42.683,968 27.291,969 30.567,970 18.952,972 164.795,973 114.377,974 58.8,977 164.795,978 20.895,979 37.905,980 18.011,981 96.367,982 164.795,983 114.377,984 58.8,986 0.601,987 0.373,988 0.222,989 0.138,990 21,991 8,994 4,995 1.412,996 2.985,997 164.529,998 0.471,999 16,1000 80.711,1005 11.617,1006 3.901,1007 1.485,1009 114.377,1010 3.672,1015 3.127,1017 103.377,1018 337.973,1019 26,1026 3.96,1031 36.153,1032 40.448,1034 0.286,1035 0.714,1036 0.914,1037 0.957,1038 0.957,1039 0.957,1040 4.62,1041 0.71,1042 5.7,1043 3.182,1044 4.234,1045 4.564,1046 1.693,1047 6.691,1048 4.164,1049 5.841,1050 0.461,1051 7.373,1052 1.776,1053 4.111,1054 4.511,1056 8.207,1057 4.029,1058 7.198,1059 -0.086,1060 9.171,1061 1.095,1062 6.033,1063 6.727,1064 1.275,1065 11.396,1066 5.927,1067 8.596,1068 -0.179,1069 11.05,1070 -0.205,1071 6.77,1072 7.511,1074 13.791,1075 6.663,1076 10.037,1077 -0.58,1078 12.985,1079 -0.464,1080 8.24,1081 9.256,1082 0.943,1083 16.636,1084 8.116,1085 11.507,1086 -0.868,1087 14.961,1088 -1.627,1089 9.337,1090 10.412,1092 19.293,1093 9.21,1094 13.002,1095 -1.127,1096 16.966,1097 -2.432,1098 10.679,1099 11.986,1100 0.69,1101 22.065,1102 10.539,1103 3.725,1104 -1.208,1105 18.993,1106 -2.959,1107 11.913,1108 13.31,1110 24.792,1111 11.764,1112 2.775,1113 15.702,1114 21.035,1115 -3.39,1116 13.225,1117 14.818,1118 0.502,1119 27.549,1120 13.063,1121 2.377,1122 9.653,1123 23.089,1124 4.346,1125 14.509,1126 16.218,1128 30.295,1129 14.335,1130 2.203,1131 7.453,1132 25.151,1133 3.384,1134 15.817,1135 17.701,1136 0.365,1137 33.049,1138 15.63,1139 1.696,1140 6.261,1141 27.219,1142 2.891,1143 17.119,1144 19.136,1146 35.8,1147 16.919,1148 1.579,1149 4.943,1150 29.293,1151 2.412,1152 18.429,1153 20.61,1154 0.265,1155 38.554,1156 18.215,1157 1.408,1158 4.367,1159 31.37,1160 2.024,1161 19.738,1162 22.062,1164 41.307,1165 19.51,1166 2678,1167 4264,1168 14.909,1169 23.46,1170 34.485,1171 34.286,1172 35.968,1173 33.892,1174 33.864,1175 39.64,1176 5.924,1177 108.862,1178 32.48,1179 5.824,1180 6.062,1181 7.711,1182 5.795,1183 5.725,1184 7.346,1185 1.72,1186 24.166,1187 5.669,1188 7.119,1189 1.567,1190 1.558,1191 1.635,1192 1.541,1193 1.539,1194 1.802,1195 0.269,1196 4.948,1197 1.476,1198 4.097,1199 4.115,1200 4.049,1201 4.016,1202 6.47,1203 4.021,1204 3.721,1205 3.754,1206 3.634,1207 3.629,1208 6.45,1209 3.625,1210 3.521,1211 3.592,1212 3.384,1213 3.325,1214 4.808,1215 3.327,1216 3.231,1217 3.277,1218 3.113,1219 3.045,1220 4.336,1221 3.054,1222 3.069,1223 3.135,1224 2.904,1225 2.908,1226 4.239,1227 2.896,1228 2.984,1229 3.031,1230 2.853,1231 2.811,1232 4.059,1233 2.809,1234 2.734,1235 2.794,1236 2.561,1237 2.507,1238 3.491,1239 2.514,1240 2.522,1241 2.582,1242 2.33,1243 2.21,1244 3.416,1245 2.222,1246 0.221,1247 0.185,1248 0.367,1249 0.214,1250 0.169,1251 4.864,1252 0.198,1253 4.062,1254 0.039,1255 8.073,1256 0.714,1257 4.709,1258 0.167,1259 3.725,1260 4.346,1261 0.86,1262 15.702,1263 3.669,1264 1.943,1265 1.924,1266 2.051,1267 2.018,1268 1.423,1269 2.029,1270 1.806,1271 1.777,1272 1.944,1273 1.953,1274 1.151,1275 1.951,1276 1.511,1277 1.44,1278 1.76,1279 1.746,1280 1.044,1281 1.753,1282 1.198,1283 1.154,1284 1.436,1285 1.429,1286 0.611,1287 1.429,1288 1.088,1289 1.031,1290 1.364,1291 1.292,1292 0.509,1293 1.316,1294 0.818,1295 0.767,1296 1.117,1297 1.093,1298 0.408,1299 1.095,1300 0.736,1301 0.686,1302 0.979,1303 1,1304 0.06,1305 0.999,1306 0.491,1307 0.422,1308 0.853,1309 0.834,1310 0.024,1311 0.814,1312 3.807,1314 5.198,1315 2.398,1316 6.806,1317 5.043,1318 8.523,1319 7.402,1320 10.302,1327 19.89,1328 3.237,1329 3.42,1330 5.994,1332 -0.527,1334 -0.188,1340 22.38,1341 53.272,1342 132.898,1343 170.117,1344 178.117,1345 178.117,1346 178.117,1347 31.234,1348 7.387,1349 61.72,1350 61.72,1351 24,1352 12.832,1353 3,1354 2.322,1355 24.02,1356 43,1357 44,1358 0.303,1359 132.155,1360 234.53,1361 314.219,1362 14082,1364 13.035,1365 0.686,1366 0.558,1367 13.035,1368 10.595,1369 9.205,1370 0.418,1371 0.309,1372 6.721,1373 8.881,1374 6.625,1375 5.361,1376 9.205,1377 6.807,1378 8.795,1379 0.259,1380 0.167,1381 8.795,1382 5.684,1383 7.983,1384 0.157,1385 0.091,1386 7.983,1387 4.626,1388 7.185,1389 0.095,1390 0.049,1391 7.185,1392 3.715,1393 6.672,1394 0.062,1395 0.027,1396 6.672,1397 2.969,1398 0.428,1399 57.702,1400 0.259,1401 17.811,1402 1.001,1403 112,1404 282.368,1405 121.803,1406 267.962,1407 371.58,1408 252,1409 141,1410 276.793,1411 151.579,1412 277.481,1413 421.22,1414 264,1415 5.845}
{0 CHEMBL1524,1 1.453,2 6.15,3 1.192,4 1.42,5 77.535,6 7.009,7 0.261,8 3.791,9 3.895,10 3.314,11 3.315,12 4.81,13 3.295,14 4.392,15 4.551,16 3.764,17 3.802,18 5.351,19 3.769,20 4.758,21 4.93,22 3.963,23 4.081,24 5.744,25 4.012,26 4.943,27 5.171,28 3.884,29 4.115,30 5.812,31 4.001,32 4.829,33 5.07,34 3.654,35 3.943,36 5.697,37 3.81,38 4.652,39 4.903,40 3.257,41 3.634,42 5.626,43 3.471,44 4.399,45 4.712,46 2.666,47 3.084,48 5.434,49 2.869,50 3.687,51 4.021,52 1.448,53 2.219,54 4.63,55 1.961,56 0.041,57 0.543,58 9.033,59 3.992,60 11.161,61 5.093,62 0.133,63 0.957,64 17.427,65 6.885,66 18.137,67 9.121,68 0.289,69 1.305,70 25.757,71 10.345,72 41.688,73 13.693,74 0.404,75 1.479,76 32.473,77 12.093,78 50.17,79 16.693,80 0.338,81 1.304,82 29.209,83 10.483,84 36.036,85 14.711,86 0.339,87 1.028,88 25.076,89 8.447,90 49.197,91 11.849,92 0.479,93 0.696,94 20.963,95 5.994,96 64.523,97 8.807,98 0.254,99 0.308,100 10.622,101 2.701,102 35.439,103 3.937,104 10,105 36,106 0.263,107 0.641,108 0.861,109 0.898,110 0.898,111 0.898,112 3.063,113 0.936,114 -2.92,115 -2.92,116 -2.82,121 41,123 2,125 1,126 1,127 2,129 2,137 2,144 2,145 2,146 2,176 7,180 5,185 3,187 9,192 7,195 1,197 3,200 9,206 4,209 1,211 3,214 5,218 1,219 2,224 5,227 5,235 1,237 2,239 1,247 1,248 1,249 2,281 384,282 13.411,283 13.411,284 13.411,285 13.411,286 13.411,287 12.514,288 22.08,289 7.474,290 13.688,291 11.32,292 11.32,293 11.32,294 11.32,295 11.32,296 9.866,297 33.174,298 3.523,299 11.812,300 3.832,301 1.746,302 0.532,303 0.327,304 0.327,305 0.327,306 3.758,311 1,312 1,313 272,314 2.55,317 19.47,318 55.707,319 31.016,321 79.343,322 43.438,323 50.792,324 55.705,325 0.88,326 22.183,329 1,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.98,337 43.5,338 123,339 4.866,340 4.064,341 8.074,342 4.711,343 3.727,344 4.348,345 0.916,346 15.704,347 3.671,348 4.069,349 3.039,350 6.446,351 3.753,352 2.78,353 3.384,354 0.86,355 9.673,356 2.703,357 3.658,358 2.886,359 5.751,360 3.418,361 2.483,362 2.919,363 0.765,364 7.625,365 2.314,366 3.346,367 2.733,368 5.254,369 3.216,370 2.265,371 2.416,372 0.68,373 6.395,374 2.148,375 3.174,376 2.369,377 5.014,378 2.968,379 2.024,380 2.218,381 0.172,382 5.737,383 1.9,384 2.918,385 2.142,386 4.835,387 2.622,388 1.692,389 1.995,391 4.94,392 1.563,393 2.795,394 1.687,395 4.53,396 2.438,397 1.465,398 1.81,400 4.197,401 1.42,402 2.115,403 1.015,404 3.744,405 1.738,406 0.763,407 0.921,409 1.883,410 0.741,411 1.645,412 0.813,413 3.602,414 1.426,415 0.498,416 0.554,418 1.26,419 0.457,420 1.361,421 0.514,422 3.026,423 1.145,424 0.181,425 0.206,427 0.437,428 0.174,429 0.996,430 0.201,431 2.82,432 0.753,433 -0.179,434 -0.2,436 -0.477,437 -0.165,438 0.54,439 -0.129,440 2.784,441 0.36,442 -0.565,443 -0.594,445 -1.56,446 -0.512,447 0.488,448 -0.372,449 2.587,450 0.2,451 -0.754,452 -0.869,454 -2.125,455 -0.714,457 -0.55,458 2.293,459 -0.066,460 -1,461 -1,463 -2.804,464 -0.928,465 -0.022,466 -0.827,467 2.022,468 -0.215,469 -1.179,470 -1.314,472 -3.088,473 -1.118,474 9.4,475 0.47,476 0.659,477 0.033,478 21.25,479 1.063,480 8,481 0.4,482 13.25,483 0.663,484 19.113,485 0.956,486 22.4,487 0.574,488 14.358,489 0.718,490 3.906,491 0.195,492 5.693,493 0.285,494 0.124,495 0.053,496 0.362,501 0.946,502 1.226,503 0.849,504 1.067,505 0.986,506 0.961,507 0.963,508 0.96,509 0.87,510 0.922,511 0.672,512 0.868,513 0.893,514 1.129,515 0.986,516 1.12,517 0.787,518 1.077,519 0.843,520 1.067,521 0.971,522 1.055,523 0.676,524 1.041,525 0.881,526 1.095,527 1.044,528 1.101,529 0.721,530 1.102,531 1.094,532 1.153,533 1.204,534 1.207,535 1.435,536 1.224,537 1.13,538 0.744,539 0.971,540 0.798,541 1.259,542 0.851,543 1.8,544 0.45,545 1.125,546 0.49,547 2.382,548 0.664,549 5.5,551 3.333,552 2.514,553 1.972,554 0.83,555 0.505,556 0.141,559 3150,560 7513,561 2.151,562 48.7,564 13,567 2,569 2,570 2,572 1.631,573 1.983,574 2.617,575 0.311,577 1,579 1,582 56.665,583 1.453,584 3.539,585 4.753,586 4.958,587 4.958,588 4.958,589 2.09,590 3.922,591 4.296,592 2.688,593 510.629,594 7.403,595 4900.9,596 1,597 1,600 206.131,601 1.675,602 4.235,603 0.239,605 0.093,606 0.06,607 0.053,608 0.03,609 0.032,610 0.02,613 0.526,614 0.83,615 1,616 0.627,617 83.5,618 -0.089,619 -0.037,620 0.045,621 0.056,622 -0.134,623 0.068,624 -0.099,625 0.196,626 0.055,627 0.128,628 0.002,629 0.129,630 0.011,631 -0.067,632 -0.055,633 -0.069,634 0.011,635 -0.072,636 0.022,637 -0.09,638 -0.018,639 -0.057,640 0.002,641 -0.048,642 -0.024,643 -0.122,644 -0.087,645 -0.128,646 -0.004,647 -0.121,648 -0.063,649 -0.225,650 -0.214,651 -0.269,652 -0.135,653 -0.27,654 0.108,655 0.06,656 0.093,657 0.052,658 0.166,659 0.066,660 -0.275,661 0.283,662 -0.002,663 0.307,664 -0.31,665 0.216,666 1.786,667 4.135,668 0.85,669 9.82,670 1.001,671 1.125,672 1.688,673 2.849,674 0.647,675 3.178,676 3.611,677 3.989,678 4.382,679 4.745,680 4.949,681 5.094,682 5.226,683 5.209,684 5.231,685 3.853,686 0.613,687 273.36,688 3.178,689 4.779,690 5.694,691 6.648,692 7.593,693 8.555,694 9.512,695 10.477,696 11.439,697 12.404,698 2.6,701 1,715 2,720 4,722 6,738 1,739 1,741 39,743 7,744 1,745 23,747 42,748 16,749 6,750 4,751 2,756 4,757 12,764 1,766 1,767 4,770 4,772 8,773 8,777 1,784 2,789 1,790 1,793 19,794 4,795 2,796 4,802 1,808 0.25,809 3,811 1,828 1,829 2,830 1,832 2,833 1,834 1,835 1,849 2,855 1,857 1,859 1,864 1,868 20,875 2,876 4,878 1,880 2,881 1,882 1,893 7.7,894 1,895 1,898 1,901 10.083,902 7.017,903 4.167,904 2.364,907 1.594,908 1.213,909 0.92,910 2.602,911 9.083,912 3.332,913 3.922,914 4.508,915 5.093,916 5.648,917 5.958,918 6.267,919 6.585,920 6.716,921 6.925,922 1,923 42,924 7.482,926 3.426,927 0.026,929 7.704,931 14.585,933 13.253,936 2.204,937 44.083,938 0.001,941 200.109,942 67.196,943 3.124,945 96.367,948 67.196,949 296.475,950 3.124,951 8.396,952 9.28,953 80.588,954 42.683,955 25.739,957 200.109,959 200.109,960 70.321,961 96.367,964 153.024,965 100.768,966 42.683,968 12.405,969 38.963,970 18.952,972 200.109,973 99.491,974 67.196,977 200.109,978 20.895,979 49.426,981 96.367,982 200.109,983 99.491,984 67.196,986 0.608,987 0.369,988 0.215,989 0.138,990 22,991 9,994 4,995 1.412,996 3.035,997 176.811,998 0.471,999 16,1000 86.439,1005 12.539,1006 4.151,1007 1.663,1009 99.491,1010 3.723,1015 3.197,1017 85.367,1018 366.796,1019 27,1026 3.994,1031 39.036,1032 43.863,1034 0.275,1035 0.67,1036 0.899,1037 0.938,1038 0.938,1039 0.938,1040 4.668,1041 0.763,1042 5.759,1043 4.197,1044 4.29,1045 4.605,1046 1.805,1047 6.744,1048 4.213,1049 5.895,1050 0.498,1051 7.431,1052 1.883,1053 4.205,1054 4.575,1055 0.325,1056 8.236,1057 4.104,1058 7.251,1059 0.181,1060 9.222,1061 1.26,1062 6.089,1063 6.755,1064 1.426,1065 11.419,1066 5.97,1067 8.645,1068 -0.179,1069 11.092,1070 0.437,1071 6.825,1072 7.538,1073 0.393,1074 13.799,1075 6.701,1076 10.079,1077 -0.565,1078 13.018,1079 -0.477,1080 8.28,1081 9.271,1082 1.135,1083 16.643,1084 8.143,1085 11.543,1086 -0.754,1087 14.986,1088 -1.56,1089 9.369,1090 10.424,1091 0.384,1092 19.296,1093 9.23,1094 13.032,1095 -1,1096 16.984,1097 -2.125,1098 10.703,1099 11.994,1100 0.905,1101 22.068,1102 10.554,1103 3.727,1104 -1.179,1105 19.006,1106 -2.804,1107 11.932,1108 13.316,1109 0.351,1110 24.794,1111 11.776,1112 2.78,1113 15.704,1114 21.044,1115 -3.088,1116 13.241,1117 14.824,1118 0.724,1119 27.551,1120 13.073,1121 2.483,1122 9.673,1123 23.095,1124 4.348,1125 14.522,1126 16.223,1127 0.312,1128 30.297,1129 14.343,1130 2.265,1131 7.625,1132 25.156,1133 3.384,1134 15.829,1135 17.706,1136 0.582,1137 33.051,1138 15.638,1139 2.024,1140 6.395,1141 27.223,1142 2.919,1143 17.13,1144 19.141,1145 0.273,1146 35.803,1147 16.926,1148 1.692,1149 5.737,1150 29.296,1151 2.416,1152 18.439,1153 20.615,1154 0.469,1155 38.557,1156 18.222,1157 1.465,1158 4.94,1159 31.372,1160 2.218,1161 19.748,1162 22.067,1163 0.236,1164 41.31,1165 19.517,1166 3046,1167 4758,1168 15.315,1169 25.222,1170 36.414,1171 36.122,1172 38.152,1173 35.826,1174 35.756,1175 41.542,1176 6.787,1177 115.705,1178 34.181,1179 5.827,1180 6.064,1181 7.37,1182 5.797,1183 5.727,1184 7.348,1185 1.776,1186 24.173,1187 5.671,1188 9.057,1189 1.583,1190 1.571,1191 1.659,1192 1.558,1193 1.555,1194 1.806,1195 0.295,1196 5.031,1197 1.486,1198 4.1,1199 4.119,1200 4.052,1201 4.019,1202 6.47,1203 4.024,1204 3.723,1205 3.759,1206 3.636,1207 3.63,1208 6.45,1209 3.626,1210 3.585,1211 3.652,1212 3.459,1213 3.382,1214 4.805,1215 3.389,1216 3.261,1217 3.32,1218 3.128,1219 3.084,1220 4.332,1221 3.085,1222 3.1,1223 3.158,1224 2.941,1225 2.928,1226 4.243,1227 2.92,1228 3.008,1229 3.059,1230 2.875,1231 2.835,1232 4.084,1233 2.833,1234 2.912,1235 2.995,1236 2.683,1237 2.714,1238 3.608,1239 2.694,1240 2.651,1241 2.722,1242 2.432,1243 2.417,1244 3.426,1245 2.408,1246 0.212,1247 0.177,1248 0.351,1249 0.205,1250 0.162,1251 4.866,1252 0.189,1253 4.064,1254 0.04,1255 8.074,1256 0.683,1257 4.711,1258 0.16,1259 3.727,1260 4.348,1261 0.916,1262 15.704,1263 3.671,1264 1.943,1265 1.925,1266 2.051,1267 2.018,1268 1.424,1269 2.029,1270 1.813,1271 1.782,1272 1.956,1273 1.965,1274 1.183,1275 1.964,1276 1.563,1277 1.493,1278 1.796,1279 1.792,1280 1.063,1281 1.795,1282 1.244,1283 1.188,1284 1.541,1285 1.469,1286 0.695,1287 1.49,1288 1.094,1289 1.04,1290 1.365,1291 1.308,1292 0.514,1293 1.326,1294 0.975,1295 0.887,1296 1.333,1297 1.233,1298 0.472,1299 1.27,1300 0.81,1301 0.752,1302 1.115,1303 1.091,1304 0.405,1305 1.094,1306 0.735,1307 0.685,1308 0.973,1309 0.973,1310 0.058,1311 0.982,1312 3.85,1314 5.252,1315 2.398,1316 6.86,1317 5.043,1318 8.571,1319 7.413,1320 10.345,1322 2.119,1327 20.02,1328 3.403,1330 6.038,1332 -0.525,1333 2.301,1334 -0.187,1340 23.907,1341 56.665,1342 138.025,1343 185.376,1344 193.376,1345 193.376,1346 193.376,1347 33.504,1348 7.489,1349 52.93,1350 52.93,1351 24,1352 12.884,1353 3,1354 2.322,1355 25.775,1356 47,1357 48,1358 0.296,1359 141.748,1360 251.83,1361 337.625,1362 15796,1364 13.905,1365 0.695,1366 0.577,1367 13.905,1368 11.542,1369 9.599,1370 0.417,1371 0.312,1372 7.081,1373 9.239,1374 6.911,1375 5.627,1376 9.599,1377 7.18,1378 9.429,1379 0.262,1380 0.173,1381 9.429,1382 6.245,1383 8.324,1384 0.157,1385 0.093,1386 8.324,1387 4.942,1388 7.415,1389 0.094,1390 0.05,1391 7.415,1392 3.927,1393 6.94,1394 0.061,1395 0.028,1396 6.94,1397 3.209,1398 0.421,1399 60.262,1400 0.256,1401 18.671,1402 0.97,1403 118,1404 293.68,1405 128.163,1406 279.189,1407 385.82,1408 262,1409 148,1410 286.427,1411 159.412,1412 289.577,1413 437.26,1414 273,1415 7}
{0 CHEMBL152675,1 1.56,2 10.407,3 5.054,4 25.54,5 111.36,6 9.052,7 0.414,8 3.864,9 3.954,10 3.597,11 3.548,12 5.058,13 3.507,14 4.35,15 4.478,16 3.982,17 3.922,18 5.542,19 3.865,20 4.622,21 4.772,22 4.059,23 4.066,24 5.831,25 3.979,26 4.709,27 4.901,28 3.871,29 3.985,30 5.883,31 3.89,32 4.543,33 4.713,34 3.929,35 3.958,36 5.749,37 3.888,38 4.71,39 4.906,40 3.976,41 4.001,42 6.005,43 3.93,44 4.612,45 4.783,46 3.971,47 3.982,48 5.863,49 3.9,50 4.618,51 4.803,52 3.991,53 3.921,54 5.939,55 3.811,56 0.024,57 0.508,58 5.81,59 3.598,60 8.467,61 4.482,62 0.139,63 0.852,64 11.964,65 6.021,66 13.816,67 7.459,68 0.184,69 1.063,70 21.973,71 8.873,72 41.847,73 10.767,74 0.519,75 1.183,76 28.424,77 9.941,78 87.381,79 11.237,80 0.107,81 1.025,82 16.452,83 8.152,84 28.411,85 10.362,86 0.443,87 1.213,88 25.96,89 9.851,90 87.4,91 11.732,92 0.243,93 1.086,94 19.274,95 8.626,96 53.142,97 10.214,98 0.545,99 1.009,100 29.327,101 9.577,102 81.189,103 11.287,104 28,105 40,106 0.267,107 0.559,108 0.676,109 0.718,110 0.718,111 0.718,112 3.34,113 0.941,114 -5.39,115 -5.27,116 -4.93,121 50,127 2,136 1,137 3,138 2,144 8,145 2,146 2,158 1,160 1,176 13,179 1,180 6,187 19,192 6,200 18,205 1,206 6,214 11,219 10,227 12,231 1,232 11,239 15,244 5,251 14,256 8,264 18,277 14,281 1143,282 17.972,283 17.972,284 17.972,285 17.972,286 17.972,287 15.793,288 14.312,289 10.505,290 18.29,291 14.216,292 14.216,293 14.216,294 14.216,295 14.216,296 10.783,297 14.982,298 4.962,299 14.811,300 3.9,301 2.201,302 1.517,303 1.273,304 1.273,305 1.273,306 4.019,308 2,311 1,312 1,313 591,314 3.162,318 279.895,325 1.608,326 30.612,329 0.75,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.84,337 57.167,338 281,339 4.405,340 3.741,341 6.487,342 4.095,343 3.096,344 3.87,345 1.259,346 10.106,347 3.097,348 4.068,349 3.525,350 5.929,351 3.623,352 2.646,353 3.676,354 0.577,355 8.179,356 2.59,357 3.981,358 2.941,359 5.565,360 3.616,361 2.639,362 3.499,363 0.359,364 7.58,365 2.571,366 3.857,367 2.935,368 5.384,369 3.478,370 2.503,371 3.1,373 7.015,374 2.435,375 3.617,376 2.545,377 5.107,378 3.126,379 2.205,380 2.95,382 6.154,383 1.995,384 3.379,385 2.493,386 4.881,387 2.942,388 2.027,389 2.656,391 5.645,392 1.755,393 3.124,394 2.294,395 4.776,396 2.707,397 1.744,398 2.269,400 5.204,401 1.612,402 2.765,403 2.053,404 4.201,405 2.417,406 1.414,407 1.706,409 3.58,410 1.403,411 2.5,412 1.509,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.5,421 1,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.336,430 1,431 3.412,432 1.64,433 0.608,434 0.942,436 1.522,437 0.61,438 2.044,439 0.759,440 2.974,441 1.231,442 0.201,443 0.334,445 0.458,446 0.201,447 1.423,448 0.597,449 2.669,450 1.114,451 0.184,452 0.217,454 0.287,455 0.155,456 1.252,457 0.539,458 2.517,459 0.848,460 -0.098,461 -0.13,463 -0.208,464 -0.079,465 0.96,466 0.04,467 2.137,468 0.506,469 -0.379,470 -0.459,472 -0.976,473 -0.289,474 13.495,475 0.5,476 0.715,477 0.026,478 35.75,479 1.324,480 19.5,481 0.722,482 16.25,483 0.602,484 20.726,485 0.768,486 27.305,487 0.621,488 28.522,489 1.056,490 7.442,491 0.276,492 5.515,493 0.204,494 0.192,496 0.326,501 0.525,502 1.086,503 0.533,504 0.821,505 0.554,506 0.81,507 0.654,508 1.022,509 0.646,510 0.826,511 0.569,512 0.862,513 0.95,514 1.234,515 1.008,516 1.173,517 0.877,518 1.138,519 1.46,520 0.829,521 0.977,522 0.861,523 1.708,524 0.95,525 0.66,526 1.221,527 0.521,528 1.017,529 0.775,530 0.99,531 1.099,532 0.922,533 0.699,534 0.819,535 1.181,536 0.842,537 1.087,538 1.095,539 0.719,540 0.955,541 1.199,542 1.012,543 1.03,544 0.912,545 1.076,546 1.088,547 1.208,548 1.052,549 6.5,550 0.14,551 3.111,552 1.5,553 1.769,554 1.014,555 0.85,556 0.528,557 0.329,558 0.225,559 8171,560 28536,561 2.014,562 38.6,564 17,572 1.707,573 1.862,574 3.345,575 -0.806,582 68.621,583 1.56,584 3.258,585 3.942,586 4.187,587 4.187,588 4.187,589 2.858,590 3.718,591 4.722,592 3.482,593 1222.25,594 8.233,595 15708.5,597 1,600 240.215,601 1.487,602 4.672,603 0.224,604 0.009,605 0.078,606 0.037,607 0.051,608 0.026,609 0.021,610 0.014,611 0.01,612 0.009,613 0.479,614 0.67,615 1,616 0.979,617 133.064,618 -0.005,619 -0.077,620 0.01,621 -0.013,622 -0.061,623 0.006,624 0.025,625 0.033,626 0.016,627 0.021,628 0.024,629 -0.007,630 -0.08,631 -0.255,632 -0.144,633 -0.25,634 -0.019,635 -0.217,636 -0.226,637 0.19,638 -0.142,639 0.1,640 -0.29,641 0.008,642 0.051,643 -0.226,644 0.063,645 -0.123,646 0.069,647 -0.054,648 -0.013,649 0.111,650 0.035,651 0.122,652 0.077,653 0.119,654 -0.11,655 -0.083,656 -0.015,657 -0.041,658 -0.071,659 -0.084,660 0.13,661 0.036,662 -0.007,663 -0.075,664 0.025,665 -0.05,666 1.883,667 5.972,668 0.667,669 25.333,670 1.008,671 1.103,672 4.162,673 17.325,674 0.738,675 3.401,676 3.714,677 3.932,678 4.127,679 4.419,680 4.443,681 4.533,682 4.644,683 4.71,684 4.727,685 6.179,686 0.701,687 398.3,688 3.401,689 4.934,690 5.765,691 6.627,692 7.479,693 8.345,694 9.207,695 10.077,696 10.944,697 11.817,698 2.3,705 1,715 8,720 4,722 12,740 2,741 44,743 17,744 2,745 29,747 46,748 22,749 12,750 4,751 8,752 8,756 3,757 3,758 2,772 20,773 2,777 5,778 1,782 2,784 3,786 4,793 17,794 3,796 5,797 2,802 1,808 1,809 2,829 3,841 1,844 1,848 1,849 3,850 2,859 3,865 2,868 27,876 2,881 1,892 2,893 4.5,896 2,901 14.5,902 7.986,903 6,904 2.474,907 3.003,908 1.423,909 0.982,910 6.072,911 10.106,912 3.714,913 4.263,914 4.783,915 5.219,916 5.778,917 5.969,918 6.3,919 6.696,920 7,921 7.241,922 1,923 41,924 9.972,926 4.233,927 0.026,929 7.928,931 18.635,933 15.046,936 2.428,937 65.556,940 1,941 200.109,942 153.799,943 3.124,944 78.297,945 50.29,948 153.799,949 328.696,950 3.124,952 23.103,953 104.239,954 60.128,955 19.744,957 200.109,958 78.297,959 200.109,960 156.923,961 50.29,962 78.297,964 200.109,965 50.29,968 7.336,969 121.159,970 106.726,972 200.109,973 53.414,974 232.096,977 200.109,978 33.793,979 107.363,981 144.354,982 200.109,983 53.414,984 232.096,986 0.582,987 0.333,988 0.162,989 0.1,990 18,991 9,992 0.065,993 3,995 1,996 3.8,997 225.296,999 18,1000 100.382,1005 19.311,1006 8.49,1007 4.835,1009 53.414,1010 14.38,1015 2.945,1018 485.619,1019 40,1020 3.548,1024 25.138,1026 4.837,1028 0.789,1031 44.356,1032 48.542,1034 0.286,1035 0.597,1036 0.722,1037 0.767,1038 0.767,1039 0.767,1040 4.942,1041 1.414,1042 5.753,1043 5.204,1044 4.394,1045 4.949,1046 1.603,1047 6.524,1048 4.328,1049 6.15,1050 1,1051 7.295,1052 3.58,1053 4.007,1054 4.691,1055 0.325,1056 7.33,1057 3.868,1058 7.446,1059 1,1060 8.929,1061 2.275,1062 5.964,1063 7.066,1064 1.709,1065 10.379,1066 5.861,1067 8.772,1068 0.608,1069 10.615,1070 2.275,1071 6.33,1072 7.544,1073 0.82,1074 11.956,1075 6.195,1076 10.125,1077 0.201,1078 12.333,1079 1.522,1080 7.779,1081 9.408,1082 1.965,1083 14.542,1084 7.664,1085 11.495,1086 0.184,1087 14.074,1088 0.458,1089 8.5,1090 10.233,1091 1.329,1092 16.48,1093 8.379,1094 12.878,1095 -0.098,1096 15.832,1097 0.287,1098 9.742,1099 11.867,1100 2.285,1101 18.893,1102 9.631,1103 3.096,1104 -0.379,1105 17.604,1106 -0.208,1107 10.645,1108 12.885,1109 1.834,1110 21.014,1111 10.54,1112 2.646,1113 10.106,1114 19.388,1115 -0.976,1116 11.798,1117 14.396,1118 2.643,1119 23.359,1120 11.699,1121 2.639,1122 8.179,1123 21.182,1124 3.87,1125 12.798,1126 15.529,1127 2.335,1128 25.574,1129 12.709,1130 2.503,1131 7.58,1132 22.985,1133 3.676,1134 13.917,1135 16.969,1136 3.026,1137 27.893,1138 13.833,1139 2.205,1140 7.015,1141 24.795,1142 3.499,1143 14.969,1144 18.175,1145 2.832,1146 30.155,1147 14.894,1148 2.027,1149 6.154,1150 26.613,1151 3.1,1152 16.077,1153 19.572,1154 3.428,1155 32.465,1156 16.008,1157 1.744,1158 5.645,1159 28.436,1160 2.95,1161 17.158,1162 20.824,1163 3.324,1164 34.751,1165 17.098,1166 8068,1167 15170,1168 18.898,1169 32.483,1170 44.137,1171 45.742,1172 44.883,1173 42.961,1174 42.537,1175 56.438,1176 4.39,1177 120.559,1178 40.846,1179 5.405,1180 5.741,1181 6.031,1182 5.132,1183 5.096,1184 6.87,1185 2.373,1186 17.118,1187 5.097,1188 15.061,1189 1.522,1190 1.577,1191 1.548,1192 1.481,1193 1.467,1194 1.946,1195 0.151,1196 4.157,1197 1.408,1198 4.014,1199 4.038,1200 4.038,1201 3.949,1202 7.431,1203 3.946,1204 3.897,1205 3.919,1206 3.984,1207 3.857,1208 7.425,1209 3.847,1210 3.782,1211 3.814,1212 3.823,1213 3.672,1214 4.958,1215 3.677,1216 3.546,1217 3.571,1218 3.512,1219 3.412,1220 4.935,1221 3.42,1222 3.287,1223 3.324,1224 3.44,1225 3.224,1226 4.655,1227 3.209,1228 3.086,1229 3.149,1230 3.257,1231 2.906,1232 4.469,1233 2.901,1234 2.863,1235 2.925,1236 2.961,1237 2.735,1238 4.382,1239 2.718,1240 2.854,1241 2.925,1242 2.924,1243 2.735,1244 4.142,1245 2.715,1246 0.152,1247 0.129,1248 0.224,1249 0.141,1250 0.107,1251 4.405,1252 0.133,1253 3.741,1254 0.043,1255 6.487,1256 0.348,1257 4.095,1258 0.107,1259 3.096,1260 3.87,1261 1.259,1262 10.106,1263 3.097,1264 1.967,1265 1.946,1266 2.056,1267 2.059,1268 1.237,1269 2.06,1270 1.9,1271 1.879,1272 1.99,1273 1.961,1274 1.1,1275 1.978,1276 1.743,1277 1.714,1278 1.862,1279 1.88,1280 1.012,1281 1.882,1282 1.509,1283 1.477,1284 1.697,1285 1.664,1286 0.7,1287 1.672,1288 1.294,1289 1.259,1290 1.477,1291 1.403,1292 0.531,1293 1.435,1294 1.038,1295 0.975,1296 1.256,1297 1.277,1298 0.358,1299 1.274,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.229,1305 1.107,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 4.078,1314 5.389,1316 6.891,1318 8.475,1320 10.104,1323 11.842,1328 0.481,1333 1.595,1340 30.847,1341 68.621,1342 143.354,1343 173.46,1344 184.215,1345 184.215,1346 184.215,1347 59.256,1348 7.102,1349 37.38,1350 37.38,1351 18,1352 12.359,1353 4.17,1354 3.585,1355 46.654,1356 99,1357 106,1358 0.231,1359 198.873,1360 360.24,1361 477.01,1362 10491,1363 4.5,1364 19.389,1365 0.718,1366 0.593,1367 20.389,1368 16.004,1369 12.957,1370 0.447,1371 0.314,1372 8.347,1373 12.114,1374 8.056,1375 6.67,1376 13.534,1377 9.1,1378 11.719,1379 0.293,1380 0.176,1381 12.536,1382 7.043,1383 9.69,1384 0.194,1385 0.094,1386 10.267,1387 4.718,1388 7.094,1389 0.116,1390 0.051,1391 7.427,1392 3.097,1393 6.313,1394 0.077,1395 0.028,1396 6.784,1397 2.297,1398 0.357,1399 85.821,1400 0.23,1401 25.771,1402 0.653,1403 138,1404 417.523,1405 175.771,1406 470.243,1407 609.09,1408 434,1409 159,1410 385.815,1411 185.833,1412 416.243,1413 601.78,1414 390,1415 4.657}
{0 CHEMBL152722,1 1.674,2 12.769,3 1.886,4 3.557,5 103.652,6 7.469,7 0.407,8 4.013,9 4.145,10 3.558,11 3.449,12 5.122,13 3.436,14 4.54,15 4.741,16 3.884,17 3.797,18 5.586,19 3.765,20 4.71,21 4.898,22 3.959,23 3.929,24 5.808,25 3.854,26 4.852,27 5.098,28 3.899,29 3.916,30 5.906,31 3.815,32 4.723,33 4.933,34 3.855,35 3.808,36 5.859,37 3.731,38 4.705,39 4.955,40 3.585,41 3.77,42 5.72,43 3.624,44 4.606,45 4.867,46 3.412,47 3.631,48 5.528,49 3.475,50 4.499,51 4.787,52 3.372,53 3.506,54 5.422,55 3.371,56 0.079,57 0.713,58 11.171,59 4.255,60 9.793,61 5.964,62 0.362,63 1.031,64 21.955,65 6.594,66 25.923,67 9.539,68 0.501,69 1.142,70 27.687,71 8.673,72 42.603,73 12.009,74 0.632,75 1.177,76 34.782,77 9.63,78 63.671,79 14.034,80 0.721,81 1.069,82 29.815,83 7.979,84 67.663,85 11.321,86 0.565,87 1.041,88 28.521,89 8.292,90 63.173,91 12.095,92 0.493,93 0.891,94 29.7,95 7.472,96 50.462,97 11.052,98 0.48,99 0.821,100 25.058,101 6.185,102 44.408,103 9.793,104 42,105 36,106 0.285,107 0.627,108 0.792,109 0.845,110 0.852,111 0.859,112 3.302,113 0.958,114 -2.09,115 -2.13,116 -2.12,121 35.3,126 3,127 4,144 4,145 1,146 3,154 2,160 1,165 1,166 1,167 1,176 2,180 5,183 1,185 2,187 2,189 1,191 1,192 3,195 1,196 1,197 4,200 3,203 2,205 1,206 2,208 1,209 2,211 3,216 1,219 2,222 1,224 2,234 1,235 3,236 1,237 2,238 1,247 1,249 2,255 1,256 2,261 1,264 1,269 2,272 1,273 1,276 1,277 2,281 1038,282 17.077,283 17.077,284 17.077,285 17.077,286 17.077,287 15.562,288 26.499,289 10.221,290 17.589,291 13.25,292 13.25,293 13.25,294 13.25,295 13.25,296 10.834,297 34.941,298 4.79,299 13.992,300 3.998,301 1.99,302 1.025,303 0.711,304 0.672,305 0.633,306 3.963,308 1,310 1,311 1,312 1,313 678,314 4,317 88.101,318 103.078,325 1.882,326 27.741,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 57.333,338 332,339 4.437,340 3.613,341 6.504,342 4.042,343 3.071,344 4.118,345 1.058,346 10.148,347 2.978,348 4.124,349 3.14,350 5.793,351 3.754,352 2.763,353 3.735,354 0.916,355 7.971,356 2.739,357 3.854,358 3.009,359 5.675,360 3.461,361 2.517,362 3.24,363 0.86,364 7.637,365 2.345,366 3.373,367 2.714,368 5.059,369 3.188,370 2.244,371 2.551,372 0.657,373 6.084,374 2.123,375 3.344,376 2.629,377 5.029,378 2.967,379 2.043,380 2.506,381 0.172,382 5.738,383 1.851,384 2.923,385 2.112,386 4.339,387 2.73,388 1.788,389 1.968,391 4.344,392 1.675,393 2.848,394 1.832,395 4.255,396 2.535,397 1.581,398 1.924,400 3.947,401 1.493,402 2.576,403 1.782,404 3.679,405 2.293,406 1.334,407 1.562,409 3.092,410 1.254,411 2.212,412 1.46,413 3.327,414 1.795,415 0.854,416 1.089,418 1.888,419 0.793,420 1.909,421 1.244,422 3.262,423 1.648,424 0.716,425 0.856,427 1.627,428 0.651,429 1.782,430 0.787,431 2.917,432 1.456,433 0.536,434 0.626,436 1.074,437 0.476,438 1.251,439 0.66,440 2.653,441 0.939,442 0.068,443 0.077,445 0.119,446 0.054,447 1.03,448 0.338,449 2.439,450 0.81,451 -0.152,452 -0.171,454 -0.352,455 -0.141,456 0.784,457 0.008,458 2.304,459 0.586,460 -0.374,461 -0.419,463 -0.958,464 -0.354,465 0.762,466 -0.186,467 2.208,468 0.299,469 -0.618,470 -0.789,472 -1.578,473 -0.517,474 12.314,475 0.474,476 0.685,477 0.026,478 29.5,479 1.135,480 12.5,481 0.481,482 17,483 0.654,484 22.027,485 0.847,486 30.286,487 0.594,488 23.159,489 0.891,490 6.393,491 0.246,492 6.008,493 0.231,494 0.239,496 0.317,501 0.896,502 1.554,503 0.721,504 1.177,505 0.755,506 1.046,507 1.116,508 0.979,509 0.754,510 0.784,511 0.663,512 0.783,513 1.104,514 1.182,515 1.01,516 1.154,517 0.99,518 1.141,519 0.927,520 1.059,521 0.94,522 1.01,523 1.083,524 0.952,525 1.276,526 1.114,527 0.938,528 1.067,529 1.251,530 1.076,531 0.971,532 0.993,533 1.019,534 1.045,535 1.193,536 1.143,537 1.104,538 1.07,539 1.331,540 1.122,541 1.27,542 1.109,543 0.72,544 0.854,545 0.888,546 0.863,547 0.626,548 0.863,549 6,550 0.115,551 2.667,552 1.944,553 1.489,554 0.844,555 0.279,556 0.24,557 0.181,558 0.17,559 8536,560 25073,561 1.931,562 49,564 21,567 4,572 1.683,573 1.773,574 3.604,575 1.773,576 1,577 1,582 85.384,583 1.674,584 3.682,585 4.648,586 4.961,587 5.001,588 5.04,589 3.056,590 4.393,591 4.674,592 3.82,593 1241.49,594 8.053,595 16952.6,597 1,599 1,600 289.294,601 1.526,602 4.606,603 0.222,604 0.006,605 0.074,606 0.056,607 0.045,608 0.029,609 0.013,610 0.013,611 0.01,612 0.009,613 0.476,614 0.17,615 1,616 1.134,617 131.802,618 -0.091,619 -0.21,620 0.016,621 -0.091,622 -0.097,623 -0.019,624 -0.113,625 0.176,626 0.08,627 0.19,628 0.044,629 0.18,630 -0.026,631 -0.089,632 -0.069,633 -0.119,634 -0.02,635 -0.147,636 0.089,637 -0.114,638 0.056,639 -0.032,640 0.063,641 0.029,642 -0.015,643 -0.119,644 -0.024,645 -0.1,646 0.027,647 -0.124,648 -0.032,649 -0.003,650 -0.123,651 -0.095,652 -0.058,653 -0.178,654 -0.12,655 -0.155,656 -0.184,657 -0.134,658 -0.157,659 -0.126,660 0.097,661 0.078,662 0.067,663 0.055,664 0.127,665 0.099,666 1.934,667 5.286,668 0.423,669 25.302,670 1.008,671 1.14,672 0.856,673 0.733,674 0.64,675 3.332,676 3.611,677 3.784,678 3.97,679 4.06,680 4.007,681 3.85,682 3.638,683 3.638,684 3.664,685 7.634,686 0.605,687 380.92,688 3.332,689 4.844,690 5.652,691 6.503,692 7.334,693 8.187,694 9.027,695 9.881,696 10.725,697 11.58,698 7.8,700 1,701 1,702 1,705 1,715 4,718 1,720 6,722 11,729 1,733 1,739 1,740 1,741 51,743 12,744 1,745 27,747 52,748 18,749 10,750 4,751 2,752 1,756 2,757 2,758 1,772 11,773 7,777 1,782 1,786 1,789 1,790 1,792 1,793 25,794 7,795 4,796 8,797 1,802 4,808 1,809 3,828 1,829 1,853 1,855 1,859 2,864 3,865 1,868 26,869 1,876 4,877 2,878 1,881 1,892 1,893 5.9,896 1,898 2,901 14.667,902 9.76,903 5.917,904 2.688,907 1.869,908 1.281,909 0.937,910 7.93,911 8.516,912 3.541,913 4.073,914 4.555,915 5.043,916 5.362,917 5.423,918 5.317,919 4.948,920 4.99,921 5.028,922 1,923 35,924 9.581,926 3.86,927 0.026,929 7.838,931 18.05,933 13.817,936 2.338,937 60.778,941 247.193,942 104.292,943 72.043,944 39.149,945 45.652,948 104.292,949 331.994,950 72.043,951 27.676,952 26.434,953 88.813,954 29.85,955 38.318,956 10.898,957 247.193,958 39.149,959 247.193,960 176.335,961 45.652,962 39.149,964 247.193,965 45.652,968 47.569,969 128.767,970 39.149,972 247.193,973 117.695,974 143.441,977 247.193,978 38.711,979 68.705,980 36.022,981 117.698,982 247.193,983 117.695,984 143.441,986 0.571,987 0.32,988 0.169,989 0.09,990 14,991 8,992 0.173,993 9,995 1,996 3.84,997 192.088,999 11,1000 118.211,1005 20.737,1006 9.943,1007 6.281,1009 117.695,1010 6.965,1013 5.712,1015 3.217,1017 68.919,1018 508.329,1019 33.5,1024 12.286,1028 -0.267,1031 51.432,1032 58.133,1034 0.295,1035 0.649,1036 0.819,1037 0.875,1038 0.882,1039 0.888,1040 4.76,1041 1.334,1042 5.631,1043 3.947,1044 4.29,1045 4.758,1046 1.958,1047 6.385,1048 4.195,1049 5.946,1050 0.854,1051 7.163,1052 3.092,1053 3.892,1054 4.605,1055 0.325,1056 7.195,1057 3.748,1058 7.236,1059 0.716,1060 8.793,1061 1.888,1062 5.832,1063 6.883,1064 1.781,1065 10.246,1066 5.675,1067 8.562,1068 0.536,1069 10.479,1070 1.627,1071 6.217,1072 7.541,1073 0.393,1074 11.871,1075 6.022,1076 9.921,1077 0.068,1078 12.201,1079 1.074,1080 7.644,1081 9.315,1082 1.702,1083 14.449,1084 7.44,1085 11.301,1086 -0.152,1087 13.949,1088 0.119,1089 8.395,1090 10.342,1091 0.384,1092 16.437,1093 8.161,1094 12.699,1095 -0.374,1096 15.716,1097 -0.352,1098 9.619,1099 11.909,1100 1.68,1101 18.844,1102 9.371,1103 3.071,1104 -0.618,1105 17.498,1106 -0.958,1107 10.548,1108 13.116,1109 0.351,1110 21.002,1111 10.274,1112 2.763,1113 10.148,1114 19.293,1115 -1.578,1116 11.691,1117 14.592,1118 1.694,1119 23.346,1120 11.398,1121 2.517,1122 7.971,1123 21.097,1124 4.118,1125 12.707,1126 15.889,1127 0.312,1128 25.586,1129 12.388,1130 2.244,1131 7.637,1132 22.91,1133 3.735,1134 13.819,1135 17.323,1136 1.732,1137 27.907,1138 13.478,1139 2.043,1140 6.084,1141 24.731,1142 3.24,1143 14.878,1144 18.667,1145 0.273,1146 30.185,1147 14.511,1148 1.788,1149 5.738,1150 26.557,1151 2.551,1152 15.981,1153 20.082,1154 1.787,1155 32.5,1156 15.589,1157 1.581,1158 4.344,1159 28.39,1160 2.506,1161 17.063,1162 21.452,1163 0.236,1164 34.797,1165 16.643,1166 8630,1167 14974,1168 17.107,1169 32.62,1170 39.487,1171 40.863,1172 41.012,1173 39.043,1174 39.029,1175 48.502,1176 7.329,1177 107.342,1178 36.864,1179 5.373,1180 5.613,1181 6.274,1182 5.084,1183 5.071,1184 7.118,1185 2.117,1186 16.951,1187 4.978,1188 16.66,1189 1.462,1190 1.513,1191 1.519,1192 1.446,1193 1.446,1194 1.796,1195 0.271,1196 3.976,1197 1.365,1198 3.977,1199 3.998,1200 4.038,1201 3.878,1202 7.429,1203 3.884,1204 3.932,1205 3.946,1206 3.896,1207 3.79,1208 5.159,1209 3.81,1210 3.63,1211 3.713,1212 3.564,1213 3.409,1214 5.038,1215 3.419,1216 3.531,1217 3.613,1218 3.42,1219 3.295,1220 4.722,1221 3.303,1222 3.31,1223 3.371,1224 3.345,1225 3.079,1226 4.614,1227 3.103,1228 3.259,1229 3.322,1230 3.165,1231 2.976,1232 4.299,1233 2.988,1234 3.041,1235 3.13,1236 2.941,1237 2.855,1238 4.256,1239 2.842,1240 2.874,1241 3.009,1242 2.851,1243 2.687,1244 3.987,1245 2.661,1246 0.164,1247 0.134,1248 0.241,1249 0.15,1250 0.114,1251 4.437,1252 0.153,1253 3.613,1254 0.039,1255 6.504,1256 0.376,1257 4.042,1258 0.11,1259 3.071,1260 4.118,1261 1.058,1262 10.148,1263 2.978,1264 1.896,1265 1.883,1266 1.954,1267 2.008,1268 1.124,1269 1.997,1270 1.655,1271 1.596,1272 1.868,1273 1.893,1274 1.058,1275 1.886,1276 1.638,1277 1.58,1278 1.858,1279 1.865,1280 1.032,1281 1.872,1282 1.459,1283 1.404,1284 1.672,1285 1.667,1286 0.858,1287 1.663,1288 1.295,1289 1.231,1290 1.566,1291 1.532,1292 0.658,1293 1.542,1294 1.201,1295 1.137,1296 1.545,1297 1.521,1298 0.571,1299 1.535,1300 1.126,1301 1.079,1302 1.417,1303 1.409,1304 0.469,1305 1.386,1306 0.934,1307 0.804,1308 1.322,1309 1.239,1310 0.371,1311 1.308,1312 4.007,1314 5.293,1315 2.398,1316 6.749,1317 4.595,1318 8.292,1319 6.555,1320 9.889,1322 5.466,1323 5.986,1326 5.723,1328 2.415,1329 6.045,1330 5.186,1333 2.045,1340 30.852,1341 85.384,1342 187.807,1343 237.029,1344 253.029,1345 255.029,1346 257.029,1347 60.788,1348 6.646,1349 92.76,1350 92.76,1351 11,1352 12.137,1353 3.7,1354 2.907,1355 55.608,1356 122,1357 108,1358 0.221,1359 198.58,1360 343.18,1361 476.296,1362 6814,1363 2,1364 19.104,1365 0.735,1366 0.616,1367 19.604,1368 16.021,1369 12.401,1370 0.459,1371 0.319,1372 8.099,1373 11.47,1374 7.769,1375 6.532,1376 12.69,1377 8.624,1378 11.048,1379 0.307,1380 0.181,1381 11.419,1382 6.52,1383 8.377,1384 0.195,1385 0.092,1386 8.779,1387 3.967,1388 6.517,1389 0.125,1390 0.049,1391 6.721,1392 2.564,1393 4.825,1394 0.085,1395 0.028,1396 5.125,1397 1.604,1398 0.364,1399 82.115,1400 0.242,1401 25.947,1402 0.561,1403 126,1404 413.033,1405 156.37,1406 419.645,1407 547.98,1408 390,1409 142,1410 364.388,1411 169.305,1412 380.187,1413 546.02,1414 351,1415 5.509}
{0 CHEMBL152826,1 1.373,2 5.533,3 2.325,4 5.405,5 57.227,6 7.112,7 0.375,8 3.46,9 3.554,10 2.988,11 2.976,12 4.561,13 2.958,14 4.017,15 4.182,16 3.329,17 3.351,18 5.022,19 3.325,20 4.14,21 4.285,22 3.426,23 3.459,24 5.272,25 3.422,26 4.237,27 4.412,28 3.339,29 3.399,30 5.437,31 3.333,32 4.136,33 4.338,34 3.028,35 3.206,36 5.165,37 3.117,38 4.026,39 4.237,40 2.482,41 2.967,42 5.059,43 2.801,44 3.775,45 4.113,46 1.689,47 2.584,48 4.449,49 2.276,50 3.368,51 3.767,52 0.688,53 1.924,54 4.007,55 1.527,56 0.015,57 0.363,58 6.239,59 3.04,60 4.443,61 3.719,62 0.181,63 0.581,64 12.376,65 4.863,66 18.178,67 6.093,68 0.13,69 0.668,70 13.6,71 5.584,72 15.714,73 6.984,74 0.372,75 0.691,76 15.871,77 5.814,78 44.508,79 7.54,80 0.229,81 0.605,82 14.668,83 5.081,84 26.548,85 6.614,86 0.408,87 0.512,88 13.753,89 4.305,90 41.388,91 5.63,92 0.157,93 0.401,94 10.955,95 3.589,96 19.198,97 5.459,98 0.15,99 0.239,100 7.793,101 2.176,102 22.493,103 3.512,104 21,105 23,106 0.27,107 0.596,108 0.763,109 0.79,110 0.804,111 0.845,112 2.798,113 0.93,114 -3.34,115 -3.33,116 -3.19,121 41.4,122 1,123 1,124 1,126 2,144 2,145 2,146 2,159 1,176 5,180 6,187 8,192 5,200 4,205 2,206 7,214 3,219 2,227 1,231 1,232 1,281 173,282 10.033,283 10.033,284 10.033,285 10.033,286 10.033,287 9.241,288 15.55,289 5.67,290 10.359,291 7.734,292 7.734,293 7.734,294 7.734,295 7.734,296 6.268,297 20.074,298 2.498,299 8.038,300 3.485,301 1.828,302 0.975,303 0.837,304 0.768,305 0.561,306 3.435,311 1,312 1,313 169,314 2.236,317 27.548,318 33.535,321 51.563,325 0.836,326 16.467,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 33,338 83,339 4.574,340 3.809,341 6.882,342 4.258,343 3.258,344 4.226,345 1.277,346 11.447,347 3.261,348 3.801,349 3.038,350 5.673,351 3.476,352 2.503,353 3.136,354 0.86,355 7.491,356 2.428,357 3.414,358 2.589,359 5.276,360 3.087,361 2.149,362 2.653,363 0.86,364 6.491,365 2.014,366 3.173,367 2.444,368 5.098,369 2.834,370 1.844,371 2.331,373 5.687,374 1.812,375 2.496,376 1.795,377 4.314,378 2.282,379 1.289,380 1.442,382 3.52,383 1.264,384 1.67,385 1.149,386 3.019,387 1.328,388 0.479,389 0.521,391 0.684,392 0.403,393 1.593,394 1.064,395 2.801,396 1.309,397 0.392,398 0.467,400 0.65,401 0.353,402 1.127,403 0.46,404 2.548,405 0.804,406 -0.231,407 -0.288,409 -0.567,410 -0.238,411 0.763,412 -0.168,413 2.327,414 0.412,415 -0.533,416 -0.656,418 -1.172,419 -0.496,420 0.363,421 -0.483,422 2,423 0.083,424 -0.886,425 -1.058,427 -2.222,428 -0.837,429 -0.01,430 -0.739,431 1.596,432 -0.265,433 -1.275,434 -1.436,436 -3.099,437 -1.197,438 -0.389,439 -1.077,440 1.28,441 -0.59,442 -1.51,443 -1.75,445 -4.426,446 -1.491,447 -0.5,448 -1.352,449 1.204,450 -0.773,451 -1.74,452 -2.032,454 -4.844,455 -1.553,456 -0.581,457 -1.593,458 1.036,459 -0.883,460 -1.801,461 -2.224,462 -0.86,463 -5.654,464 -1.807,465 -0.659,466 -1.737,467 0.496,468 -0.961,469 -1.939,470 -2.331,471 -0.86,472 -6.889,473 -1.917,474 7,475 0.467,476 0.418,477 0.028,478 17.75,479 1.183,480 8.5,481 0.567,482 9.25,483 0.617,484 10.908,485 0.727,486 17,487 0.586,488 11.121,489 0.741,490 3.543,491 0.236,492 3.626,493 0.242,494 0.262,496 0.429,501 0.74,502 1.262,503 0.791,504 1.231,505 0.581,506 1.055,507 1.136,508 0.753,509 0.792,510 0.73,511 0.719,512 0.695,513 1.047,514 1.196,515 0.961,516 1.172,517 1.108,518 1.068,519 0.923,520 1.176,521 1.035,522 1.174,523 1.428,524 1.136,525 1.29,526 1.161,527 1.181,528 1.155,529 1.08,530 1.147,531 1.532,532 1.086,533 1.597,534 1.129,535 1.275,536 1.338,537 0.522,538 0.883,539 0.889,540 0.91,541 0.432,542 0.967,543 0.591,544 0.397,545 0.625,546 0.416,547 1.265,548 0.51,549 3.5,551 1.778,552 1.917,553 1.044,554 0.65,555 0.137,559 1305,560 3677,561 1.955,562 48.3,563 5,564 8,568 1,572 1.54,573 1.765,574 2.522,575 -0.781,577 1,579 1,582 39.804,583 1.373,584 3.03,585 3.883,586 4.021,587 4.09,588 4.297,589 1.889,590 3.457,591 3.877,592 2.568,593 269.663,594 6.542,595 2185.14,597 1,600 140.881,601 1.566,602 3.796,603 0.219,605 0.077,606 0.08,607 0.052,608 0.046,609 0.023,613 0.497,614 1,615 1,616 1.157,617 56.638,618 -0.01,619 -0.115,620 0.058,621 -0.097,622 -0.023,623 -0.019,624 -0.131,625 0.289,626 0.156,627 0.3,628 -0.024,629 0.291,630 -0.089,631 -0.141,632 -0.04,633 -0.13,634 -0.061,635 -0.083,636 0.167,637 -0.183,638 -0.07,639 -0.192,640 -0.012,641 -0.183,642 -0.166,643 -0.206,644 -0.197,645 -0.208,646 -0.097,647 -0.209,648 -0.195,649 -0.17,650 -0.575,651 -0.228,652 -0.151,653 -0.443,654 0.052,655 -0.037,656 0.073,657 -0.027,658 0.094,659 0.019,660 0.069,661 0.363,662 0.407,663 0.391,664 -0.05,665 0.458,666 1.496,667 4.855,668 0.6,669 7.84,670 1.006,671 1.122,672 2.115,673 4.473,674 0.645,675 2.833,676 3.178,677 3.497,678 3.784,679 3.951,680 3.951,681 3.912,682 3.689,683 3.178,684 2.485,685 3.529,686 0.615,687 206.26,688 2.833,689 4.369,690 5.242,691 6.146,692 7.043,693 7.955,694 8.857,695 9.77,696 10.675,697 11.587,715 2,720 4,722 6,727 1,739 2,741 29,743 7,744 1,745 16,747 30,748 12,749 6,750 4,751 2,752 1,756 2,757 3,763 1,767 1,768 1,770 1,772 7,773 5,774 1,777 1,782 1,786 1,790 1,793 14,794 3,796 3,808 0.5,809 3,828 1,829 1,832 1,859 1,864 3,868 15,876 1,878 2,880 1,893 10.3,896 1,898 2,901 8.5,902 6.25,903 3.444,904 1.688,907 1.394,908 1.237,909 0.921,910 2.592,911 7.266,912 3.045,913 3.624,914 4.223,915 4.78,916 5.238,917 5.441,918 5.572,919 5.483,920 5.159,921 4.365,922 0.75,923 24,924 5.547,925 -0.001,926 2.312,927 0.026,929 7.844,931 10.538,933 8.49,936 2.344,937 35.167,938 0.004,941 164.795,942 74.07,945 47.145,948 74.07,949 211.94,951 30.591,952 2.535,953 18.952,954 30.278,955 38.858,957 164.795,959 164.795,960 74.07,961 47.145,964 164.795,965 47.145,968 11.36,969 62.71,972 164.795,973 47.145,974 74.07,977 164.795,978 24.526,979 49.544,981 47.145,982 164.795,983 47.145,984 74.07,986 0.581,987 0.371,988 0.207,989 0.116,990 12,991 6,992 0.067,993 2,994 1,995 1.222,996 2.581,997 100.809,998 0.222,999 9,1000 58.603,1005 10.34,1006 3.761,1007 1.58,1009 47.145,1010 3.675,1015 3.126,1018 286.01,1019 20,1024 11.855,1028 0.171,1031 29.167,1032 32.535,1034 0.283,1035 0.624,1036 0.799,1037 0.828,1038 0.842,1039 0.885,1040 4.297,1041 -0.231,1042 5.263,1043 0.65,1044 3.85,1045 4.304,1046 1.977,1047 6.142,1048 3.801,1049 5.514,1050 -0.533,1051 6.872,1052 -0.567,1053 3.611,1054 4.29,1056 7.182,1057 3.578,1058 6.846,1059 -0.886,1060 8.579,1061 -1.172,1062 5.509,1063 6.503,1064 2.142,1065 10.314,1066 5.448,1067 8.217,1068 -1.275,1069 10.341,1070 -2.222,1071 6.066,1072 7.268,1074 12.176,1075 6.025,1076 9.62,1077 -1.51,1078 12.138,1079 -3.099,1080 7.485,1081 9.022,1082 2.426,1083 14.854,1084 7.433,1085 11.045,1086 -1.74,1087 13.961,1088 -4.426,1089 8.398,1090 10.14,1092 17.067,1093 8.365,1094 12.489,1095 -1.801,1096 15.803,1097 -4.844,1098 9.65,1099 11.719,1100 2.796,1101 19.59,1102 9.616,1103 3.258,1104 -1.939,1105 17.66,1106 -5.654,1107 10.718,1108 13.003,1110 21.943,1111 10.698,1112 2.503,1113 11.447,1114 19.532,1115 -6.889,1116 11.915,1117 14.508,1118 3.22,1119 24.411,1120 11.897,1121 2.149,1122 7.491,1123 21.413,1124 4.226,1125 13.048,1126 15.873,1128 26.818,1129 13.038,1130 1.844,1131 6.491,1132 23.304,1133 3.136,1134 14.229,1135 17.344,1136 3.675,1137 29.266,1138 14.222,1139 1.289,1140 5.687,1141 25.202,1142 2.653,1143 15.388,1144 18.747,1146 31.692,1147 15.387,1148 0.479,1149 3.52,1150 27.107,1151 2.331,1152 16.566,1153 20.203,1154 4.146,1155 34.134,1156 16.568,1157 0.392,1158 0.684,1159 29.016,1160 1.442,1161 17.737,1162 21.625,1164 36.567,1165 17.742,1166 1423,1167 2440,1168 10.057,1169 18.693,1170 23.941,1171 25.495,1172 26.023,1173 23.672,1174 23.829,1175 29.55,1176 5.995,1177 71.941,1178 23.069,1179 5.408,1180 5.809,1181 6.43,1182 5.258,1183 5.258,1184 7.226,1185 2.555,1186 18.544,1187 5.261,1188 8.553,1189 1.496,1190 1.593,1191 1.626,1192 1.479,1193 1.489,1194 1.847,1195 0.375,1196 4.496,1197 1.442,1198 4.039,1199 4.052,1200 3.997,1201 3.965,1202 7.426,1203 3.97,1204 3.565,1205 3.601,1206 3.465,1207 3.418,1208 4.898,1209 3.42,1210 3.303,1211 3.354,1212 3.147,1213 3.016,1214 4.574,1215 3.037,1216 3.152,1217 3.24,1218 2.921,1219 2.906,1220 4.254,1221 2.895,1222 2.925,1223 3.005,1224 2.783,1225 2.727,1226 3.924,1227 2.713,1228 2.9,1229 2.949,1230 2.651,1231 2.7,1232 3.53,1233 2.686,1234 2.508,1235 2.579,1236 2.322,1237 2.267,1238 3.347,1239 2.268,1240 2.309,1241 2.362,1242 2.085,1243 2.109,1244 2.906,1245 2.105,1246 0.286,1247 0.238,1248 0.43,1249 0.266,1250 0.204,1251 4.574,1252 0.264,1253 3.809,1254 0.08,1255 6.882,1256 0.715,1257 4.258,1258 0.204,1259 3.258,1260 4.226,1261 1.277,1262 11.447,1263 3.261,1264 1.88,1265 1.872,1266 1.961,1267 1.978,1268 1.208,1269 1.969,1270 1.644,1271 1.6,1272 1.864,1273 1.809,1274 1.068,1275 1.83,1276 1.228,1277 1.169,1278 1.588,1279 1.555,1280 0.585,1281 1.563,1282 1.183,1283 1.115,1284 1.55,1285 1.475,1286 0.579,1287 1.499,1288 0.95,1289 0.873,1290 1.325,1291 1.184,1292 0.468,1293 1.238,1294 0.883,1295 0.811,1296 1.084,1297 1.131,1298 0.171,1299 1.117,1300 0.605,1301 0.527,1302 0.935,1303 0.828,1304 0.034,1305 0.868,1306 0.052,1307 0.004,1308 0.473,1309 0.391,1311 0.393,1312 3.497,1314 4.828,1315 2.398,1316 6.372,1317 4.844,1318 8.013,1319 7.018,1320 9.71,1322 5.126,1328 0.779,1330 10.379,1332 0.056,1340 17.832,1341 39.804,1342 87.862,1343 112.617,1344 116.617,1345 118.617,1346 124.617,1347 24.172,1348 5.872,1349 35.53,1350 35.53,1351 11,1352 12.102,1353 3,1354 2.322,1355 23.332,1356 33,1357 31,1358 0.404,1359 111.371,1360 196.35,1361 263.505,1362 1874,1364 11,1365 0.733,1366 0.611,1367 11,1368 9.164,1369 7.168,1370 0.448,1371 0.31,1372 4.864,1373 6.794,1374 4.63,1375 3.891,1376 7.168,1377 4.961,1378 6.324,1379 0.275,1380 0.167,1381 6.324,1382 3.833,1383 5.642,1384 0.176,1385 0.089,1386 5.642,1387 2.833,1388 4.607,1389 0.107,1390 0.047,1391 4.607,1392 2.034,1393 3.669,1394 0.072,1395 0.027,1396 3.669,1397 1.371,1398 0.577,1399 45.817,1400 0.315,1401 14.565,1402 1.288,1403 78,1404 257.207,1405 85.861,1406 236.553,1407 316.4,1408 222,1409 94,1410 221.727,1411 101.973,1412 226.192,1413 329.49,1414 209,1415 6.42}
{0 CHEMBL153311,1 1.46,2 12.308,3 2.114,4 4.468,5 104.01,6 6.403,7 0.192,8 4.063,9 4.218,10 3.468,11 3.49,12 5.144,13 3.449,14 4.612,15 4.852,16 3.737,17 3.818,18 5.507,19 3.747,20 4.853,21 5.11,22 3.798,23 3.98,24 5.783,25 3.878,26 4.983,27 5.253,28 3.827,29 4.113,30 5.946,31 3.965,32 5.083,33 5.373,34 3.716,35 4.113,36 5.948,37 3.936,38 5.025,39 5.333,40 3.535,41 3.951,42 5.904,43 3.776,44 4.666,45 4.953,46 3.319,47 3.731,48 5.526,49 3.551,50 4.517,51 4.806,52 3.279,53 3.582,54 5.348,55 3.424,56 0.058,57 0.798,58 13.346,59 4.501,60 16.527,61 7.079,62 0.228,63 1.146,64 23.585,65 6.789,66 22.82,67 11.189,68 0.493,69 1.357,70 30.423,71 8.34,72 44.854,73 13.828,74 0.371,75 1.517,76 33.769,77 11.227,78 67.886,79 17.376,80 0.362,81 1.492,82 37.348,83 12.009,84 60.474,85 18.75,86 0.62,87 1.298,88 36.133,89 9.87,90 79.415,91 15.991,92 0.266,93 1.044,94 24.542,95 7.65,96 41.836,97 12.308,98 0.217,99 0.898,100 21.096,101 6.381,102 28.508,103 10.508,104 88,105 33,106 0.244,107 0.532,108 0.708,109 0.744,110 0.75,111 0.756,112 3.302,113 1.03,114 -1.1,115 -1.19,116 -1.28,121 33.9,122 4,126 1,127 4,129 2,138 1,141 1,144 2,154 2,160 2,176 1,180 8,184 1,185 2,187 2,191 1,192 1,195 1,196 1,197 1,205 1,206 1,209 4,211 1,214 4,219 4,223 1,224 1,227 4,235 2,237 1,239 4,247 2,249 1,256 1,259 1,261 5,264 1,272 1,274 1,277 1,281 1070,282 17.215,283 17.215,284 17.215,285 17.215,286 17.215,287 16.128,288 29.806,289 10.316,290 17.575,291 12.595,292 12.595,293 12.595,294 12.595,295 12.595,296 10.706,297 42.762,298 4.568,299 13.13,300 4.347,301 2.622,302 1.567,303 1.353,304 1.317,305 1.282,306 3.945,311 1,312 1,313 622,314 5,317 92.685,325 2.053,326 21.927,328 1,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 56,338 320,339 4.306,340 4.254,341 6.304,342 3.885,343 2.936,344 3.738,345 2.689,346 9.299,347 2.804,348 4.147,349 3.869,350 6.109,351 3.763,352 2.801,353 3.723,354 1.539,355 8.856,356 2.695,357 3.838,358 3.239,359 5.618,360 3.64,361 2.659,362 2.881,363 0.916,364 7.742,365 2.589,366 3.322,367 2.884,368 4.877,369 2.957,370 1.98,371 2.35,372 0.657,373 5.597,374 1.936,375 3.303,376 2.864,377 4.414,378 2.711,379 1.744,380 2.018,381 0.647,382 4.125,383 1.694,384 3.193,385 2.317,386 4.364,387 2.694,388 1.732,389 1.732,390 0.247,391 4,392 1.65,393 2.732,394 1.949,395 3.673,396 2.389,397 1.45,398 1.586,399 0.172,400 3.122,401 1.358,402 2.646,403 1.825,404 3.34,405 1.864,406 0.906,407 1.303,409 2.008,410 0.865,411 2.238,412 1.693,413 3.213,414 1.652,415 0.703,416 1.125,418 1.511,419 0.666,420 2.017,421 1.202,422 3.026,423 1.547,424 0.618,425 0.816,427 1.405,428 0.572,429 1.814,430 0.9,431 2.618,432 1.538,433 0.57,434 0.628,436 0.791,437 0.551,438 1.676,439 0.659,440 2.505,441 1.168,442 0.241,443 0.282,445 0.359,446 0.223,447 1.185,448 0.467,449 2.357,450 0.784,451 -0.15,452 -0.211,454 -0.245,455 -0.14,456 0.699,457 0.007,458 2.203,459 0.413,460 -0.533,461 -0.678,463 -0.937,464 -0.499,465 0.471,466 -0.119,467 1.749,468 0.27,469 -0.683,470 -0.883,472 -1.83,473 -0.653,474 12.233,475 0.471,476 0.579,477 0.022,478 27.25,479 1.048,480 11,481 0.423,482 16.25,483 0.625,484 26.095,485 1.004,486 30.367,487 0.542,488 19.628,489 0.755,490 5.359,491 0.206,492 7.063,493 0.272,494 0.27,496 0.278,501 1,502 1.667,503 0.99,504 1.387,505 0.556,506 1.211,507 1.139,508 1.176,509 0.934,510 1.033,511 0.447,512 0.959,513 1.372,514 0.997,515 1.089,516 0.922,517 0.585,518 0.968,519 0.678,520 1.065,521 0.978,522 1.18,523 0.429,524 1.131,525 0.954,526 1.034,527 0.986,528 1.131,529 0.834,530 1.083,531 1.603,532 0.722,533 1.055,534 0.758,535 1.32,536 0.85,537 0.783,538 1.092,539 1.09,540 1.19,541 0.828,542 1.181,543 0.685,544 1.158,545 0.923,546 1.118,547 0.676,548 1.058,549 5.5,550 0.143,551 2.667,552 1.944,553 1.005,554 0.524,555 0.482,556 0.228,557 0.198,558 0.165,559 7883,560 20173,561 1.851,562 53.6,564 15,567 3,569 12,572 1.683,573 1.696,574 3.54,575 0.974,576 1,577 1,582 81.785,583 1.46,584 3.185,585 4.24,586 4.454,587 4.49,588 4.526,589 2.878,590 3.763,591 4.675,592 3.813,593 1239.07,594 8.059,595 17302.1,597 1,599 1,600 325.212,601 1.534,602 4.599,603 0.212,604 0.008,605 0.081,606 0.057,607 0.03,608 0.018,609 0.02,610 0.012,611 0.01,612 0.008,613 0.455,614 0.33,615 0.88,616 2.621,617 132.321,618 -0.041,619 -0.292,620 0.024,621 -0.146,622 0.055,623 -0.063,624 -0.03,625 -0.04,626 0.083,627 0.01,628 0.057,629 0.061,630 -0.056,631 0.066,632 -0.058,633 0.065,634 0.067,635 0.009,636 0.137,637 -0.033,638 -0.017,639 -0.127,640 0.249,641 -0.1,642 0.001,643 -0.112,644 -0.025,645 -0.115,646 -0.035,647 -0.079,648 -0.158,649 0.12,650 -0.04,651 0.15,652 -0.178,653 0.072,654 0.009,655 -0.101,656 -0.133,657 -0.182,658 -0.029,659 -0.179,660 0.113,661 -0.187,662 0.035,663 -0.113,664 0.021,665 -0.056,666 1.622,667 2.87,668 0.192,669 28.231,670 0.992,671 1.146,672 -0.134,673 0.018,674 0.618,675 3.296,676 3.526,677 3.689,678 3.784,679 3.664,680 3.611,681 3.689,682 3.689,683 3.497,684 3.526,685 7.764,686 0.574,687 358.55,688 3.296,689 4.779,690 5.572,691 6.399,692 7.209,693 8.038,694 8.854,695 9.684,696 10.504,697 11.335,698 10.7,700 3,701 1,707 2,715 2,718 1,720 2,722 5,741 56,743 8,745 26,747 56,748 19,749 4,756 1,757 1,763 4,770 2,771 2,772 6,773 11,777 1,786 2,790 1,792 1,793 30,794 7,795 3,796 7,802 6,808 1,809 1,828 1,838 2,850 1,853 3,855 1,859 1,864 5,868 26,876 4,877 3,880 2,881 1,885 2,889 2,891 2,893 1.8,898 1,901 15.333,902 11.35,903 6.25,904 3.465,907 1.453,908 1.23,909 0.888,910 9.835,911 7.762,912 3.541,913 3.917,914 4.368,915 4.754,916 4.655,917 4.642,918 4.821,919 4.897,920 4.638,921 4.937,922 0.875,923 34,924 9.541,926 3.662,927 0.026,929 7.782,931 18.267,933 13.679,936 2.282,937 59.333,941 317.82,942 120.687,943 119.275,945 9.507,948 120.687,949 327.327,950 119.275,951 43.697,952 8.423,953 72.985,954 33.203,955 80.264,956 10.898,957 317.82,959 317.82,960 239.962,961 9.507,964 176.567,965 150.761,968 162.999,969 76.964,972 317.82,973 128.783,974 120.687,977 317.82,978 24.834,979 65.774,980 87.236,981 71.626,982 317.82,983 128.783,984 120.687,986 0.556,987 0.33,988 0.168,989 0.066,990 10,991 7,992 0.196,993 11,995 1,996 3.765,997 181.849,999 5,1000 108.211,1005 22.055,1006 11.594,1007 7.433,1009 128.783,1010 4.026,1013 5.904,1015 1.863,1017 54.032,1018 567.29,1019 33.5,1028 0.489,1031 55.541,1032 64.182,1034 0.251,1035 0.548,1036 0.73,1037 0.767,1038 0.773,1039 0.779,1040 4.773,1041 0.906,1042 5.533,1043 3.122,1044 4.205,1045 4.6,1046 3.158,1047 6.267,1048 4.126,1049 5.948,1050 0.703,1051 7.06,1052 2.008,1053 3.761,1054 4.248,1055 0.325,1056 7.12,1057 3.664,1058 7.224,1059 0.618,1060 8.69,1061 1.511,1062 5.727,1063 6.608,1064 4.775,1065 10.109,1066 5.572,1067 8.532,1068 0.57,1069 10.378,1070 1.405,1071 6.111,1072 7.139,1073 0.393,1074 11.768,1075 5.928,1076 9.871,1077 0.241,1078 12.104,1079 0.791,1080 7.529,1081 8.927,1082 6.666,1083 14.258,1084 7.296,1085 11.232,1086 -0.15,1087 13.855,1088 0.359,1089 8.278,1090 9.859,1091 0.384,1092 16.231,1093 8.009,1094 12.608,1095 -0.533,1096 15.623,1097 -0.245,1098 9.48,1099 11.4,1100 8.619,1101 18.546,1102 9.167,1103 2.936,1104 -0.683,1105 17.404,1106 -0.937,1107 10.394,1108 12.525,1109 0.351,1110 20.65,1111 10.04,1112 2.801,1113 9.299,1114 19.194,1115 -1.83,1116 11.508,1117 13.951,1118 10.59,1119 22.897,1120 11.111,1121 2.659,1122 8.856,1123 20.991,1124 3.738,1125 12.496,1126 15.171,1127 0.312,1128 25.059,1129 12.056,1130 1.98,1131 7.742,1132 22.793,1133 3.723,1134 13.573,1135 16.541,1136 12.566,1137 27.281,1138 13.09,1139 1.744,1140 5.597,1141 24.6,1142 2.881,1143 14.595,1144 17.809,1145 0.273,1146 29.468,1147 14.068,1148 1.732,1149 4.125,1150 26.41,1151 2.35,1152 15.657,1153 19.151,1154 14.544,1155 31.682,1156 15.087,1157 1.45,1158 4,1159 28.224,1160 2.018,1161 16.696,1162 20.443,1163 0.236,1164 33.882,1165 16.081,1166 8377,1167 13624,1168 16.008,1169 34.626,1170 39.543,1171 41.961,1172 39.269,1173 36.632,1174 36.681,1175 44.361,1176 13.739,1177 97.633,1178 35.206,1179 5.232,1180 6.035,1181 6.077,1182 4.924,1183 4.923,1184 6.464,1185 5.379,1186 15.299,1187 4.72,1188 18.183,1189 1.521,1190 1.614,1191 1.51,1192 1.409,1193 1.411,1194 1.706,1195 0.528,1196 3.755,1197 1.354,1198 3.973,1199 4.002,1200 3.912,1201 3.811,1202 6.856,1203 3.83,1204 3.787,1205 3.847,1206 3.745,1207 3.629,1208 6.782,1209 3.653,1210 3.743,1211 3.802,1212 3.618,1213 3.575,1214 5.039,1215 3.575,1216 3.523,1217 3.599,1218 3.393,1219 3.328,1220 4.509,1221 3.332,1222 3.453,1223 3.539,1224 3.23,1225 3.299,1226 4.364,1227 3.271,1228 3.274,1229 3.373,1230 3.122,1231 3.014,1232 4.207,1233 3.022,1234 3.157,1235 3.253,1236 2.959,1237 2.962,1238 4.048,1239 2.947,1240 2.93,1241 3.038,1242 2.915,1243 2.685,1244 3.888,1245 2.713,1246 0.166,1247 0.164,1248 0.242,1249 0.149,1250 0.113,1251 4.306,1252 0.144,1253 4.254,1254 0.103,1255 6.304,1256 0.358,1257 3.885,1258 0.108,1259 2.936,1260 3.738,1261 2.689,1262 9.299,1263 2.804,1264 1.779,1265 1.715,1266 2.001,1267 1.982,1268 1.253,1269 1.991,1270 1.72,1271 1.668,1272 1.892,1273 1.936,1274 1.116,1275 1.927,1276 1.607,1277 1.56,1278 1.82,1279 1.808,1280 0.989,1281 1.796,1282 1.492,1283 1.43,1284 1.762,1285 1.694,1286 0.892,1287 1.742,1288 1.475,1289 1.41,1290 1.683,1291 1.635,1292 0.822,1293 1.649,1294 1.359,1295 1.311,1296 1.6,1297 1.591,1298 0.737,1299 1.598,1300 1.233,1301 1.131,1302 1.48,1303 1.499,1304 0.469,1305 1.5,1306 0.934,1307 0.824,1308 1.417,1309 1.239,1310 0.469,1311 1.308,1312 3.97,1314 5.22,1315 2.398,1316 6.642,1317 4.595,1318 8.144,1319 6.555,1320 9.686,1322 10.436,1328 2.7,1329 9.145,1332 0.933,1333 2.382,1338 17.74,1339 3.715,1340 32.165,1341 81.785,1342 178.361,1343 237.437,1344 249.437,1345 251.437,1346 253.437,1347 76.217,1348 6.31,1349 100.05,1350 100.05,1351 5,1352 11.909,1353 3.17,1354 3.087,1355 77.238,1356 124,1357 92,1358 0.304,1359 209.902,1360 370.31,1361 503.92,1362 4137,1364 19.527,1365 0.751,1366 0.63,1367 19.527,1368 16.388,1369 12.421,1370 0.478,1371 0.343,1372 8.786,1373 11.874,1374 8.37,1375 7.136,1376 12.421,1377 8.926,1378 10.316,1379 0.313,1380 0.199,1381 10.316,1382 6.555,1383 7.895,1384 0.202,1385 0.103,1386 7.895,1387 4.009,1388 6.099,1389 0.142,1390 0.062,1391 6.099,1392 2.67,1393 3.547,1394 0.093,1395 0.033,1396 3.547,1397 1.265,1398 0.5,1399 78.102,1400 0.25,1401 25.983,1402 0.771,1403 118,1404 341.669,1405 130.894,1406 336.034,1407 446.34,1408 312,1409 131,1410 318.132,1411 143.951,1412 323.675,1413 455.86,1414 301,1415 5.678}
{0 CHEMBL153821,1 1.462,2 12.857,3 2.688,4 7.225,5 109.981,6 6.596,7 0.167,8 4.129,9 4.274,10 3.589,11 3.599,12 5.145,13 3.564,14 4.728,15 4.949,16 3.913,17 3.997,18 5.574,19 3.931,20 5.022,21 5.283,22 3.927,23 4.164,24 5.857,25 4.046,26 5.091,27 5.362,28 3.911,29 4.228,30 5.97,31 4.07,32 5.135,33 5.434,34 3.813,35 4.152,36 5.946,37 3.986,38 4.975,39 5.263,40 3.623,41 3.974,42 5.888,43 3.826,44 4.697,45 4.965,46 3.467,47 3.817,48 5.55,49 3.658,50 4.598,51 4.872,52 3.44,53 3.692,54 5.423,55 3.557,56 0.05,57 0.874,58 13.741,59 4.923,60 13.999,61 7.496,62 0.232,63 1.374,64 26.027,65 7.994,66 18.793,67 12.735,68 0.525,69 1.643,70 35.665,71 10.653,72 43.463,73 16.975,74 0.372,75 1.734,76 37.474,77 13.094,78 59.502,79 19.88,80 0.389,81 1.628,82 39.82,83 12.655,84 49.143,85 19.768,86 0.591,87 1.37,88 34.758,89 9.706,90 71.665,91 15.358,92 0.256,93 1.146,94 25.325,95 8.482,96 38.125,97 13.038,98 0.254,99 1.017,100 23.111,101 7.205,102 27.42,103 11.397,104 22,105 40,106 0.241,107 0.53,108 0.728,109 0.801,110 0.818,111 0.824,112 3.373,113 1.019,114 -1.55,115 -1.62,116 -1.66,121 36.2,122 2,123 3,127 6,129 2,138 1,141 1,144 2,154 2,160 2,176 3,180 9,183 1,185 1,187 3,191 1,192 2,195 2,197 1,200 2,205 3,206 1,209 2,211 1,214 3,219 4,223 1,224 1,227 4,231 1,232 2,235 1,239 5,244 1,247 2,251 1,256 1,259 1,261 5,264 1,268 1,274 2,277 1,281 1238,282 19.154,283 19.154,284 19.154,285 19.154,286 19.154,287 18.092,288 31.374,289 11.393,290 19.521,291 14.664,292 14.664,293 14.664,294 14.664,295 14.664,296 12.823,297 46.439,298 5.194,299 15.272,300 4.396,301 2.637,302 1.431,303 0.992,304 0.888,305 0.854,306 4.054,311 1,312 1,313 758,314 3.674,317 176.957,318 104.534,325 2.031,326 22.938,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 60,338 360,339 4.392,340 4.259,341 6.5,342 3.96,343 3.018,344 3.798,345 2.689,346 10.151,347 2.852,348 4.156,349 3.869,350 6.413,351 3.947,352 3,353 3.738,354 1.539,355 9.761,356 2.845,357 3.914,358 3.283,359 5.627,360 3.674,361 2.684,362 2.96,363 0.916,364 7.8,365 2.649,366 3.581,367 3.209,368 5.201,369 3.125,370 2.168,371 2.466,372 0.886,373 6.153,374 2.067,375 3.303,376 2.883,377 4.894,378 2.968,379 1.986,380 2.368,381 0.657,382 5.669,383 1.95,384 3.213,385 2.349,386 4.841,387 2.861,388 1.879,389 1.879,390 0.4,391 5.104,392 1.844,393 2.879,394 2.259,395 4.003,396 2.489,397 1.542,398 1.624,399 0.172,400 3.45,401 1.457,402 2.817,403 1.96,404 3.962,405 2.365,406 1.39,407 1.432,409 3.31,410 1.352,411 2.495,412 1.779,413 3.537,414 2.031,415 1.111,416 1.303,418 2.576,419 1.021,420 2.412,421 1.524,422 3.398,423 1.878,424 0.928,425 1.196,427 2.131,428 0.879,429 2.221,430 1.419,431 3.276,432 1.745,433 0.754,434 1.097,436 1.778,437 0.747,438 2.102,439 1.069,440 3.018,441 1.547,442 0.618,443 1.031,445 0.998,446 0.572,447 1.526,448 0.865,449 2.78,450 1.38,451 0.41,452 0.44,454 0.791,455 0.396,456 1.487,457 0.541,458 2.618,459 1.235,460 0.284,461 0.3,463 0.655,464 0.27,465 1.345,466 0.468,467 2.352,468 0.67,469 -0.258,470 -0.347,472 -0.36,473 -0.239,474 13.233,475 0.473,476 0.554,477 0.02,478 29.5,479 1.054,480 11,481 0.393,482 18.5,483 0.661,484 28.703,485 1.025,486 31.767,487 0.548,488 19.946,489 0.712,490 5.395,491 0.193,492 8.223,493 0.294,494 0.136,496 0.287,501 0.942,502 1.599,503 0.918,504 1.309,505 0.467,506 1.137,507 1.142,508 1.216,509 0.986,510 1.082,511 0.414,512 1.016,513 1.232,514 0.954,515 1.068,516 0.935,517 0.499,518 0.979,519 0.612,520 1.071,521 0.973,522 1.192,523 0.406,524 1.143,525 0.964,526 0.965,527 0.89,528 0.995,529 0.824,530 0.95,531 1.749,532 0.731,533 1.138,534 0.785,535 1.631,536 0.89,537 0.877,538 1.092,539 1.078,540 1.198,541 0.847,542 1.175,543 0.984,544 1.086,545 0.947,546 1.055,547 0.74,548 1.01,549 5,550 0.097,551 3.111,552 2.007,553 1.353,554 0.549,555 0.495,556 0.194,557 0.201,558 0.126,559 10958,560 25126,561 2.034,562 51.7,563 2,564 16,567 2,569 10,572 1.703,573 1.909,574 3.608,575 0.247,576 1,577 1,582 84.808,583 1.462,584 3.221,585 4.427,586 4.866,587 4.97,588 5.004,589 3.017,590 4.307,591 4.784,592 3.847,593 1454.06,594 8.274,595 20874.9,597 1,599 1,600 339.763,601 1.379,602 4.74,603 0.167,604 0.005,605 0.078,606 0.051,607 0.037,608 0.017,609 0.018,610 0.008,611 0.009,612 0.006,613 0.395,614 0.33,615 1,616 1.016,617 144.982,618 -0.016,619 -0.276,620 0.06,621 -0.116,622 0.112,623 -0.031,624 -0.056,625 -0.062,626 0.014,627 -0.039,628 0.042,629 -0.004,630 -0.044,631 0.068,632 -0.064,633 0.05,634 0.085,635 -0.003,636 0.153,637 -0.083,638 -0.021,639 -0.155,640 0.227,641 -0.12,642 0.031,643 -0.083,644 0.085,645 -0.017,646 -0.018,647 0.033,648 -0.209,649 0.17,650 -0.103,651 0.135,652 -0.258,653 0.039,654 0.017,655 -0.106,656 -0.113,657 -0.176,658 -0.024,659 -0.166,660 0.059,661 -0.129,662 0.037,663 -0.06,664 -0.01,665 -0.02,666 1.519,667 3.049,668 0.571,669 28.786,670 0.992,671 1.141,672 0.317,673 0.1,674 0.631,675 3.434,676 3.714,677 3.97,678 4.174,679 4.19,680 4.159,681 4.174,682 4.22,683 4.234,684 4.304,685 7.852,686 0.589,687 382.57,688 3.434,689 4.949,690 5.784,691 6.64,692 7.488,693 8.347,694 9.2,695 10.059,696 10.914,697 11.773,698 10.3,700 2,701 2,707 2,715 2,718 1,720 2,722 5,741 58,743 8,745 30,747 60,748 21,749 4,756 3,757 3,763 2,767 5,770 5,771 2,772 6,773 13,777 1,786 2,790 1,792 1,793 30,794 7,795 2,796 7,802 6,808 1,809 1,828 2,829 1,838 2,850 1,853 2,855 2,859 3,864 2,868 28,876 9,877 2,880 2,881 2,885 2,889 2,891 2,893 1.7,898 1,901 14.667,902 10.8,903 6.444,904 3.819,907 1.581,908 1.219,909 0.936,910 7.393,911 8.797,912 3.651,913 4.047,914 4.531,915 4.949,916 4.998,917 5.061,918 5.194,919 5.285,920 5.32,921 5.57,922 1,923 39,924 10.354,926 4.252,927 0.026,929 7.655,931 20.302,933 16.634,936 2.155,937 60.333,940 1,941 329.591,942 106.455,943 104.389,945 9.507,948 106.455,949 339.098,950 104.389,951 17.65,952 20.238,953 54.974,954 33.203,955 83.388,956 10.898,957 329.591,959 329.591,960 210.844,961 9.507,964 211.88,965 127.218,968 142.277,969 68.567,972 329.591,973 113.896,974 106.455,977 329.591,978 36.649,979 42.852,980 69.225,981 71.626,982 329.591,983 113.896,984 106.455,986 0.566,987 0.345,988 0.187,989 0.085,990 17,991 8,992 0.117,993 7,995 1,996 4.085,997 222.664,999 16,1000 124.606,1005 20.74,1006 9.981,1007 5.305,1009 113.896,1010 4.135,1013 6.024,1015 1.969,1017 36.022,1018 549.942,1019 37.5,1028 0.797,1031 57.541,1032 66.182,1034 0.25,1035 0.55,1036 0.756,1037 0.831,1038 0.848,1039 0.854,1040 4.914,1041 1.39,1042 5.746,1043 3.45,1044 4.394,1045 4.732,1046 3.185,1047 6.524,1048 4.315,1049 6.075,1050 1.111,1051 7.287,1052 3.31,1053 3.892,1054 4.331,1055 0.57,1056 7.391,1057 3.771,1058 7.353,1059 0.928,1060 8.93,1061 2.576,1062 5.953,1063 6.713,1064 4.78,1065 10.467,1066 5.788,1067 8.663,1068 0.754,1069 10.634,1070 2.131,1071 6.33,1072 7.238,1073 0.637,1074 12.19,1075 6.109,1076 10.007,1077 0.618,1078 12.38,1079 1.778,1080 7.802,1081 9.022,1082 6.667,1083 14.762,1084 7.54,1085 11.374,1086 0.41,1087 14.153,1088 0.998,1089 8.571,1090 9.963,1091 0.607,1092 16.821,1093 8.25,1094 12.758,1095 0.284,1096 15.945,1097 0.791,1098 9.815,1099 11.5,1100 8.619,1101 19.224,1102 9.45,1103 3.018,1104 -0.258,1105 17.753,1106 0.655,1107 10.763,1108 12.638,1109 0.548,1110 21.421,1111 10.337,1112 3,1113 10.151,1114 19.572,1115 -0.36,1116 11.916,1117 14.064,1118 10.59,1119 23.761,1120 11.442,1121 2.684,1122 9.761,1123 21.4,1124 3.798,1125 12.943,1126 15.297,1127 0.481,1128 26.017,1129 12.41,1130 2.168,1131 7.8,1132 23.234,1133 3.738,1134 14.059,1135 16.672,1136 12.566,1137 28.333,1138 13.475,1139 1.986,1140 6.153,1141 25.074,1142 2.96,1143 15.123,1144 17.952,1145 0.415,1146 30.615,1147 14.48,1148 1.879,1149 5.669,1150 26.919,1151 2.466,1152 16.225,1153 19.302,1154 14.544,1155 32.923,1156 15.529,1157 1.542,1158 5.104,1159 28.767,1160 2.368,1161 17.305,1162 20.605,1163 0.355,1164 35.216,1165 16.552,1166 10690,1167 16422,1168 19.879,1169 36.626,1170 46.19,1171 48.665,1172 45.563,1173 43.534,1174 43.544,1175 51.263,1176 14.521,1177 120.657,1178 41.803,1179 5.392,1180 6.169,1181 6.189,1182 5.018,1183 5.018,1184 6.553,1185 5.379,1186 16.833,1187 4.794,1188 14.363,1189 1.54,1190 1.622,1191 1.519,1192 1.451,1193 1.451,1194 1.709,1195 0.484,1196 4.022,1197 1.393,1198 3.996,1199 4.037,1200 3.927,1201 3.838,1202 6.856,1203 3.853,1204 3.883,1205 3.945,1206 3.826,1207 3.714,1208 6.782,1209 3.734,1210 3.832,1211 3.871,1212 3.724,1213 3.691,1214 5.039,1215 3.693,1216 3.523,1217 3.595,1218 3.427,1219 3.345,1220 4.512,1221 3.354,1222 3.4,1223 3.469,1224 3.276,1225 3.217,1226 4.377,1227 3.212,1228 3.367,1229 3.452,1230 3.151,1231 3.209,1232 4.183,1233 3.19,1234 3.232,1235 3.322,1236 3.039,1237 3.049,1238 3.903,1239 3.034,1240 3.079,1241 3.177,1242 2.915,1243 2.895,1244 3.704,1245 2.87,1246 0.146,1247 0.142,1248 0.217,1249 0.132,1250 0.101,1251 4.392,1252 0.127,1253 4.259,1254 0.09,1255 6.5,1256 0.338,1257 3.96,1258 0.095,1259 3.018,1260 3.798,1261 2.689,1262 10.151,1263 2.852,1264 1.879,1265 1.821,1266 2.086,1267 2.054,1268 1.448,1269 2.067,1270 1.705,1271 1.654,1272 1.89,1273 1.917,1274 1.173,1275 1.912,1276 1.602,1277 1.559,1278 1.749,1279 1.776,1280 1.002,1281 1.753,1282 1.527,1283 1.479,1284 1.733,1285 1.724,1286 0.97,1287 1.733,1288 1.477,1289 1.423,1290 1.714,1291 1.676,1292 0.939,1293 1.685,1294 1.405,1295 1.325,1296 1.669,1297 1.606,1298 0.859,1299 1.655,1300 1.311,1301 1.242,1302 1.569,1303 1.522,1304 0.718,1305 1.532,1306 1.193,1307 1.103,1308 1.52,1309 1.435,1310 0.617,1311 1.479,1312 4.111,1314 5.398,1315 3.045,1316 6.868,1317 5.283,1318 8.424,1319 7.261,1320 10.027,1322 4.613,1328 8.464,1329 6.519,1332 1.219,1333 4.581,1338 18.097,1339 3.914,1340 34.165,1341 84.808,1342 186.797,1343 256.743,1344 282.253,1345 288.253,1346 290.253,1347 52.614,1348 7.217,1349 91.26,1350 91.26,1351 16,1352 12.325,1353 3.17,1354 3.087,1355 50.161,1356 136,1357 101,1358 0.179,1359 214.3,1360 380.19,1361 514.651,1362 14937,1364 19.933,1365 0.712,1366 0.603,1367 19.933,1368 16.87,1369 13.618,1370 0.454,1371 0.34,1372 10.051,1373 13.066,1374 9.781,1375 8.118,1376 13.618,1377 10.194,1378 11.546,1379 0.289,1380 0.193,1381 11.546,1382 7.707,1383 9.845,1384 0.189,1385 0.11,1386 9.845,1387 5.74,1388 8.033,1389 0.126,1390 0.065,1391 8.033,1392 4.128,1393 5.373,1394 0.083,1395 0.039,1396 5.373,1397 2.524,1398 0.293,1399 85.296,1400 0.224,1401 27.493,1402 0.458,1403 140,1404 368.982,1405 153.921,1406 361.191,1407 489.78,1408 338,1409 162,1410 357.54,1411 176.977,1412 360.729,1413 519.28,1414 339,1415 5.347}
{0 CHEMBL153848,1 1.326,2 6.353,3 3.051,4 9.31,5 66.393,6 6.695,7 0.333,8 3.627,9 3.733,10 3.099,11 3.141,12 4.664,13 3.105,14 4.203,15 4.383,16 3.467,17 3.514,18 5.17,19 3.471,20 4.401,21 4.574,22 3.533,23 3.616,24 5.494,25 3.559,26 4.415,27 4.627,28 3.386,29 3.567,30 5.442,31 3.477,32 4.3,33 4.486,34 3.295,35 3.453,36 5.348,37 3.365,38 4.324,39 4.555,40 3.038,41 3.387,42 5.261,43 3.243,44 4.205,45 4.451,46 2.548,47 3.252,48 5.023,49 3.031,50 4.174,51 4.545,52 2.089,53 2.945,54 4.82,55 2.618,56 0.005,57 0.441,58 8.031,59 3.734,60 6.007,61 4.772,62 0.123,63 0.709,64 15.257,65 5.992,66 17.79,67 7.867,68 0.319,69 0.826,70 19.141,71 6.919,72 31.034,73 9.037,74 0.211,75 0.827,76 19.35,77 7.013,78 37.483,79 9.432,80 0.275,81 0.735,82 17.28,83 6.203,84 33.095,85 8.251,86 0.35,87 0.726,88 17.962,89 6.21,90 35.659,91 8.525,92 0.207,93 0.656,94 15.662,95 5.7,96 29.276,97 7.977,98 0.149,99 0.582,100 15.434,101 5.253,102 26.734,103 8.13,104 31,105 26,106 0.249,107 0.552,108 0.742,109 0.808,110 0.808,111 0.808,112 2.91,113 0.991,114 -3.88,115 -3.84,116 -3.64,121 40,122 3,123 1,124 1,126 1,129 1,144 2,145 2,146 2,159 1,176 6,180 6,187 8,191 1,192 8,200 6,206 4,214 4,218 1,219 5,227 4,231 1,232 2,239 4,251 2,256 2,264 2,281 244,282 11.025,283 11.025,284 11.025,285 11.025,286 11.025,287 10.233,288 16.313,289 6.296,290 11.323,291 8.794,292 8.794,293 8.794,294 8.794,295 8.794,296 7.366,297 19.115,298 2.899,299 9.158,300 3.803,301 2.193,302 1.18,303 0.829,304 0.829,305 0.829,306 3.552,311 1,312 1,313 219,314 2.828,317 35.725,318 40.071,321 63.521,325 1.08,326 17.751,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 37,338 108,339 4.523,340 3.782,341 6.695,342 4.209,343 3.207,344 4.173,345 1.277,346 10.793,347 3.219,348 4.016,349 3.234,350 6.111,351 3.694,352 2.745,353 3.384,354 0.86,355 8.891,356 2.592,357 3.296,358 2.612,359 5.331,360 3.065,361 2.131,362 2.506,363 0.86,364 6.145,365 1.994,366 3.213,367 2.521,368 4.908,369 2.946,370 1.956,371 2.292,373 5.59,374 1.912,375 2.92,376 1.897,377 4.633,378 2.712,379 1.718,380 1.974,382 4.805,383 1.704,384 2.458,385 1.788,386 4.049,387 2.168,388 1.207,389 1.395,391 3.186,392 1.144,393 1.811,394 1.26,395 3.078,396 1.468,397 0.53,398 0.636,400 0.997,401 0.486,402 1.2,403 0.628,404 2.742,405 0.871,406 -0.061,407 -0.071,409 -0.118,410 -0.055,411 0.958,412 0.153,413 2.372,414 0.728,415 -0.25,416 -0.287,418 -0.634,419 -0.244,420 0.514,421 -0.434,422 2.322,423 0.126,424 -0.855,425 -0.967,427 -2,428 -0.812,429 0.318,430 -0.585,431 2.117,432 0.095,433 -0.868,434 -1,436 -2.185,437 -0.84,439 -0.838,440 1.506,442 -1,443 -1.137,445 -2.505,446 -1,447 -0.025,448 -1,449 1.314,450 -0.28,451 -1.305,452 -1.532,454 -3.44,455 -1.281,456 -0.464,457 -1.178,458 1.218,459 -0.665,460 -1.586,461 -1.773,463 -4.585,464 -1.515,465 -0.5,466 -1.3,467 1.125,468 -0.78,469 -1.781,470 -2.019,472 -5.484,473 -1.573,474 8,475 0.471,476 0.562,477 0.033,478 18.75,479 1.103,480 8.5,481 0.5,482 10.25,483 0.603,484 14.652,485 0.862,486 19.6,487 0.56,488 11.855,489 0.697,490 3.444,491 0.203,492 4.58,493 0.269,494 0.292,496 0.438,501 0.737,502 1.295,503 0.862,504 1.267,505 0.631,506 1.112,507 1.044,508 0.936,509 0.78,510 0.907,511 0.657,512 0.812,513 1.313,514 1.039,515 1.061,516 1.025,517 1.126,518 1.002,519 1.187,520 1.05,521 1.025,522 1.038,523 1.547,524 1.007,525 1.198,526 1.226,527 1.169,528 1.22,529 0.893,530 1.194,531 1.156,532 1.011,533 1.19,534 1.028,535 0.648,536 1.103,537 1.049,538 1.236,539 1.411,540 1.273,541 1.177,542 1.388,543 0.286,544 0.762,545 0.63,546 0.773,547 0.553,548 0.764,549 4.5,551 2.222,552 1.764,553 1.079,554 0.872,555 0.314,556 0.207,559 1931,560 4719,561 1.928,562 51.4,563 5,564 6,568 1,569 6,572 1.576,573 1.729,574 2.709,575 -0.807,577 1,578 1,579 1,582 46.408,583 1.326,584 2.936,585 3.95,586 4.3,587 4.3,588 4.3,589 2.205,590 3.617,591 4.057,592 2.828,593 384.641,594 6.892,595 3418.37,597 1,599 1,600 179.525,601 1.566,602 3.968,603 0.25,605 0.085,606 0.068,607 0.049,608 0.046,609 0.022,610 0.03,613 0.55,614 1,615 1,616 1.363,617 68.769,618 0.003,619 -0.098,620 0.056,621 -0.082,622 -0.053,623 -0.015,624 -0.043,625 0.127,626 0.195,627 0.147,628 0.041,629 0.204,630 -0.026,631 -0.006,632 -0.045,633 -0.011,634 -0.021,635 -0.028,636 -0.105,637 -0.054,638 -0.038,639 -0.048,640 -0.148,641 -0.034,642 0.01,643 -0.213,644 -0.169,645 -0.221,646 -0.012,647 -0.226,648 -0.035,649 -0.053,650 -0.2,651 -0.075,652 0.07,653 -0.154,654 -0.185,655 -0.276,656 -0.469,657 -0.31,658 -0.209,659 -0.422,660 0.142,661 0.061,662 0.275,663 0.087,664 0.178,665 0.188,666 1.464,667 4.902,668 0.529,669 10.533,670 0.998,671 1.125,672 2.65,673 7.024,674 0.635,675 2.944,676 3.296,677 3.555,678 3.829,679 4.025,680 4.094,681 4.143,682 4.143,683 3.638,684 2.89,685 4.1,686 0.597,687 234.32,688 2.944,689 4.489,690 5.342,691 6.24,692 7.124,693 8.028,694 8.921,695 9.827,696 10.726,697 11.632,715 2,720 4,722 6,727 1,739 2,741 35,743 7,744 1,745 18,747 36,748 14,749 6,750 4,751 2,752 1,756 2,757 3,763 3,767 1,768 1,770 2,772 7,773 7,774 1,777 1,782 1,786 1,790 1,793 18,794 3,796 3,808 0.5,809 3,828 1,829 1,832 1,859 1,864 4,868 17,876 1,878 2,880 2,893 8.6,896 1,898 2,901 9.833,902 7.583,903 3.778,904 2.243,907 1.379,908 1.226,909 0.913,910 3.318,911 7.48,912 3.135,913 3.701,914 4.252,915 4.786,916 5.304,917 5.552,918 5.754,919 5.848,920 5.36,921 4.611,922 1,923 26,924 6.31,926 2.621,927 0.026,929 7.765,931 12.111,933 9.8,936 2.265,937 38.5,938 0.002,941 211.88,942 80.837,945 47.145,948 80.837,949 259.025,951 37.359,952 2.535,953 18.952,954 30.278,955 38.858,957 211.88,959 211.88,960 80.837,961 47.145,964 141.253,965 117.771,968 29.01,969 51.827,972 211.88,973 47.145,974 80.837,977 211.88,978 24.526,979 56.311,981 47.145,982 211.88,983 47.145,984 80.837,986 0.588,987 0.342,988 0.187,989 0.107,990 13,991 7,992 0.083,993 3,994 1,995 1.222,996 2.778,997 118.462,998 0.222,999 9,1000 67.487,1005 12.28,1006 4.594,1007 2.261,1009 47.145,1010 3.744,1015 3.215,1018 339.862,1019 22,1024 11.902,1028 0.203,1031 34.934,1032 39.365,1034 0.259,1035 0.572,1036 0.77,1037 0.838,1038 0.838,1039 0.838,1040 4.401,1041 -0.061,1042 5.371,1043 0.997,1044 3.97,1045 4.382,1046 1.977,1047 6.225,1048 3.911,1049 5.614,1050 -0.25,1051 6.967,1052 -0.118,1053 3.761,1054 4.369,1056 7.204,1057 3.704,1058 6.936,1059 -0.855,1060 8.659,1061 -0.634,1062 5.609,1063 6.541,1064 2.142,1065 10.305,1066 5.518,1067 8.293,1068 -0.868,1069 10.404,1070 -2,1071 6.155,1072 7.295,1074 12.075,1075 6.078,1076 9.682,1077 -1,1078 12.181,1079 -2.185,1080 7.553,1081 9.033,1082 2.426,1083 14.712,1084 7.46,1085 11.094,1086 -1.305,1087 13.981,1088 -2.505,1089 8.438,1090 10.131,1092 16.822,1093 8.364,1094 12.524,1095 -1.586,1096 15.799,1097 -3.44,1098 9.672,1099 11.697,1100 2.796,1101 19.288,1102 9.595,1103 3.207,1104 -1.781,1105 17.63,1106 -4.585,1107 10.709,1108 12.957,1110 21.546,1111 10.648,1112 2.745,1113 10.793,1114 19.471,1115 -5.484,1116 11.884,1117 14.447,1118 3.22,1119 23.948,1120 11.828,1121 2.131,1122 8.891,1123 21.322,1124 4.173,1125 12.986,1126 15.787,1128 26.269,1129 12.945,1130 1.956,1131 6.145,1132 23.179,1133 3.384,1134 14.143,1135 17.242,1136 3.675,1137 28.65,1138 14.111,1139 1.718,1140 5.59,1141 25.043,1142 2.506,1143 15.274,1144 18.623,1146 30.999,1147 15.254,1148 1.207,1149 4.805,1150 26.911,1151 2.292,1152 16.428,1153 20.063,1154 4.146,1155 33.372,1156 16.417,1157 0.53,1158 3.186,1159 28.783,1160 1.974,1161 17.572,1162 21.464,1164 35.735,1165 17.572,1166 2073,1167 3318,1168 11.156,1169 22.216,1170 27.364,1171 29.043,1172 29.165,1173 26.989,1174 26.988,1175 32.718,1176 5.995,1177 80.815,1178 26.102,1179 5.36,1180 5.782,1181 6.216,1182 5.231,1183 5.207,1184 7.173,1185 2.555,1186 17.752,1187 5.219,1188 10.657,1189 1.52,1190 1.614,1191 1.62,1192 1.499,1193 1.499,1194 1.818,1195 0.333,1196 4.49,1197 1.45,1198 4.041,1199 4.055,1200 3.997,1201 3.967,1202 7.426,1203 3.971,1204 3.65,1205 3.695,1206 3.538,1207 3.477,1208 4.905,1209 3.482,1210 3.497,1211 3.549,1212 3.345,1213 3.349,1214 4.497,1215 3.338,1216 3.208,1217 3.284,1218 3.011,1219 2.952,1220 4.331,1221 2.953,1222 2.991,1223 3.02,1224 2.867,1225 2.818,1226 3.961,1227 2.822,1228 2.892,1229 3.009,1230 2.643,1231 2.7,1232 3.729,1233 2.672,1234 2.874,1235 2.989,1236 2.499,1237 2.618,1238 3.53,1239 2.57,1240 2.58,1241 2.616,1242 2.455,1243 2.293,1244 3.467,1245 2.322,1246 0.251,1247 0.21,1248 0.372,1249 0.234,1250 0.178,1251 4.523,1252 0.232,1253 3.782,1254 0.071,1255 6.695,1256 0.6,1257 4.209,1258 0.179,1259 3.207,1260 4.173,1261 1.277,1262 10.793,1263 3.219,1264 1.885,1265 1.876,1266 1.973,1267 1.989,1268 1.211,1269 1.98,1270 1.644,1271 1.599,1272 1.878,1273 1.808,1274 1.088,1275 1.83,1276 1.582,1277 1.519,1278 1.85,1279 1.781,1280 1.025,1281 1.809,1282 1.214,1283 1.156,1284 1.572,1285 1.521,1286 0.586,1287 1.536,1288 0.938,1289 0.89,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.934,1295 0.838,1296 1.325,1297 1.195,1298 0.467,1299 1.241,1300 0.917,1301 0.804,1302 1.086,1303 1.135,1304 0.175,1305 1.116,1306 0.651,1307 0.578,1308 0.948,1309 0.896,1310 0.045,1311 0.92,1312 3.611,1314 4.949,1315 2.398,1316 6.475,1317 4.844,1318 8.095,1319 7.002,1320 9.768,1322 7.496,1328 0.798,1330 10.973,1332 0.167,1340 20.886,1341 46.408,1342 102.77,1343 138.241,1344 150.505,1345 150.505,1346 150.505,1347 30.716,1348 6.1,1349 35.53,1350 35.53,1351 11,1352 12.151,1353 3,1354 2.322,1355 28.228,1356 44,1357 35,1358 0.361,1359 130.556,1360 230.95,1361 310.316,1362 2564,1364 12.577,1365 0.74,1366 0.632,1367 12.577,1368 10.741,1369 8.024,1370 0.446,1371 0.33,1372 5.858,1373 7.669,1374 5.551,1375 4.677,1376 8.024,1377 5.944,1378 7.525,1379 0.289,1380 0.184,1381 7.525,1382 4.796,1383 5.999,1384 0.176,1385 0.088,1386 5.999,1387 2.991,1388 4.914,1389 0.109,1390 0.049,1391 4.914,1392 2.194,1393 3.866,1394 0.07,1395 0.026,1396 3.866,1397 1.437,1398 0.531,1399 50.654,1400 0.299,1401 16.644,1402 1.095,1403 88,1404 267.207,1405 97.19,1406 247.398,1407 334.32,1408 232,1409 104,1410 241.545,1411 113.08,1412 243.116,1413 355.65,1414 227,1415 6.42}
{0 CHEMBL153865,1 1.279,2 7.889,3 3.019,4 9.114,5 74.575,6 6.241,7 0.3,8 3.728,9 3.859,10 3.161,11 3.308,12 4.613,13 3.239,14 4.352,15 4.555,16 3.515,17 3.763,18 5.133,19 3.662,20 4.676,21 4.916,22 3.527,23 3.926,24 5.465,25 3.769,26 4.767,27 5.057,28 3.289,29 3.836,30 5.513,31 3.628,32 4.577,33 4.884,34 3.143,35 3.621,36 5.297,37 3.425,38 4.353,39 4.622,40 3.033,41 3.463,42 5.173,43 3.292,44 4.192,45 4.467,46 2.892,47 3.305,48 5.024,49 3.134,50 3.957,51 4.225,52 2.599,53 3.125,54 4.72,55 2.921,56 0.038,57 0.538,58 9.409,59 4.093,60 4.926,61 5.761,62 0.117,63 0.945,64 17.733,65 7.043,66 9.696,67 10.174,68 0.154,69 1.196,70 24.317,71 9.896,72 18.371,73 14.071,74 0.208,75 1.196,76 26.487,77 10.435,78 33.314,79 14.872,80 0.174,81 0.978,82 21.834,83 8.401,84 24.014,85 12.099,86 0.16,87 0.803,88 17.677,89 6.66,90 22.064,91 9.487,92 0.193,93 0.694,94 15.085,95 5.495,96 22.123,97 7.995,98 0.059,99 0.566,100 11.557,101 4.735,102 11.622,103 6.869,104 5,105 28,106 0.233,107 0.532,108 0.756,109 0.819,110 0.828,111 0.828,112 2.961,113 1.057,114 -4.29,115 -4.23,116 -3.99,121 41,123 4,124 2,126 1,127 2,144 4,145 2,159 1,176 12,180 4,187 15,192 5,200 12,206 4,214 9,219 4,227 8,232 1,239 6,243 1,244 2,251 4,256 2,269 2,281 348,282 12.223,283 12.223,284 12.223,285 12.223,286 12.223,287 11.405,288 13.44,289 7.211,290 12.315,291 9.872,292 9.872,293 9.872,294 9.872,295 9.872,296 8.594,297 13.665,298 3.453,299 9.986,300 4.006,301 2.365,302 1.135,303 0.789,304 0.737,305 0.737,306 3.64,310 1,311 1,312 1,313 310,314 2,317 33.936,318 97.636,321 66.87,325 1.136,326 12.122,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 37.5,338 142,339 4.449,340 3.785,341 6.686,342 4.186,343 3.172,344 4.005,345 1.277,346 10.754,347 3.214,348 3.669,349 2.802,350 5.632,351 3.599,352 2.622,353 2.814,354 0.8,355 7.588,356 2.57,357 3.46,358 2.676,359 5.302,360 3.212,361 2.24,362 2.569,364 6.506,365 2.184,366 3.112,367 2.348,368 4.911,369 2.948,370 1.965,371 2.165,373 5.602,374 1.912,375 2.938,376 1.89,377 4.732,378 2.674,379 1.669,380 2.059,382 4.925,383 1.673,384 2.733,385 1.436,386 3.631,387 2.355,388 1.356,389 1.792,391 2.97,392 1.355,393 2.267,394 1.31,395 3.446,396 1.984,397 1,398 1.086,400 2.275,401 0.983,402 2,403 1.077,404 3.414,405 1.821,406 0.779,407 1,409 1.885,410 0.806,411 1.289,412 0.361,413 2.94,414 1.181,415 0.191,416 0.199,418 0.469,419 0.188,420 0.973,421 0.206,422 2.305,423 0.712,424 -0.305,425 -0.349,427 -0.704,428 -0.306,429 0.64,430 -0.395,431 2,432 0.29,433 -0.727,434 -0.892,436 -1.797,437 -0.735,438 0.402,439 -0.778,440 2,441 0.129,442 -0.865,443 -1,445 -2.147,446 -0.858,447 0.123,448 -0.784,449 2,450 -0.049,451 -1,452 -1.134,454 -3,455 -0.946,457 -0.925,458 1.683,459 -0.171,460 -1.176,461 -1.369,463 -3.049,464 -1.16,465 -0.282,466 -1.111,467 1.268,468 -0.422,469 -1.399,470 -1.612,472 -3.585,473 -1.384,474 8.733,475 0.485,476 0.435,477 0.024,478 18.5,479 1.028,480 7.5,481 0.417,482 11,483 0.611,484 16.344,485 0.908,486 20.067,487 0.515,488 10.127,489 0.563,490 3.18,491 0.177,492 5.558,493 0.309,494 0.095,496 0.332,501 0.622,502 1.302,503 0.943,504 1.155,505 0.496,506 1.086,507 0.915,508 1.008,509 1.03,510 0.992,511 0.541,512 1.001,513 0.9,514 1.125,515 1.092,516 1.169,517 0.842,518 1.147,519 1.088,520 0.96,521 1.002,522 1,523 1.217,524 1,525 1.007,526 0.821,527 0.843,528 0.841,529 1.087,530 0.833,531 1.487,532 0.996,533 1.06,534 0.983,535 1.695,536 0.993,537 1.289,538 0.925,539 1.041,540 0.902,541 1.452,542 0.947,543 0.494,544 1.309,545 1.086,546 1.285,547 0.459,548 1.242,549 3.5,550 0.02,551 2,552 1.514,553 0.764,554 0.476,555 0.278,556 0.124,557 0.11,558 0.047,559 2891,560 5409,561 2.12,562 53.8,563 5,564 11,568 1,569 4,572 1.585,573 2,574 2.993,575 -0.873,577 1,579 1,582 49.892,583 1.279,584 2.92,585 4.15,586 4.497,587 4.548,588 4.548,589 2.441,590 3.948,591 4.143,592 3.083,593 471.689,594 7.02,595 4380.43,596 1,597 1,599 1,600 206.131,601 1.352,602 4.109,603 0.175,604 0.01,605 0.071,606 0.058,607 0.04,608 0.028,609 0.019,610 0.01,611 0.012,612 0.012,613 0.435,614 0.83,615 1,616 0.584,617 75.968,618 0.034,619 -0.092,620 0.068,621 -0.003,622 0.022,623 0.026,624 -0.085,625 0.137,626 -0.025,627 0.054,628 0.004,629 0.03,630 -0.029,631 -0.108,632 -0.118,633 -0.153,634 0.021,635 -0.141,636 -0.042,637 -0.05,638 -0.038,639 -0.043,640 -0.026,641 -0.041,642 0.016,643 0.079,644 0.118,645 0.095,646 0.012,647 0.113,648 -0.109,649 -0.053,650 -0.06,651 -0.026,652 -0.144,653 -0.04,654 0.042,655 0.043,656 -0.039,657 0.037,658 -0.096,659 -0.006,660 0.045,661 -0.338,662 -0.151,663 -0.291,664 0.032,665 -0.247,666 1.274,667 5.324,668 0.833,669 11.222,670 0.981,671 1.125,672 3.064,673 9.385,674 0.643,675 3.045,676 3.367,677 3.638,678 3.892,679 4.094,680 4.043,681 4.143,682 4.234,683 4.127,684 4.127,685 4.695,686 0.59,687 243.38,688 3.045,689 4.575,690 5.425,691 6.301,692 7.171,693 8.052,694 8.931,695 9.815,696 10.698,697 11.585,698 2.6,701 1,715 4,720 2,722 6,727 1,741 39,743 7,744 1,745 20,747 41,748 16,749 6,750 2,751 4,752 1,756 3,757 4,767 3,768 2,770 4,772 7,773 9,774 2,777 1,782 1,786 1,790 1,793 21,794 2,796 2,802 1,808 0.667,809 1,828 1,829 2,832 1,855 1,859 2,864 1,868 18,876 6,880 2,881 1,893 2.6,896 1,901 9,902 7.117,903 3.917,904 2.608,907 1.29,908 1.198,909 0.967,910 3.214,911 7.798,912 3.219,913 3.701,914 4.186,915 4.643,916 5.068,917 5.085,918 5.334,919 5.509,920 5.401,921 5.419,922 1,923 26,924 6.741,926 2.905,927 0.026,929 7.481,931 13.575,933 11.915,936 1.981,937 35.667,938 0.005,941 247.193,942 72.156,943 3.124,945 25.145,948 72.156,949 272.338,950 3.124,951 8.396,952 14.35,953 37.905,954 30.278,955 9.495,957 247.193,959 247.193,960 75.28,961 25.145,964 200.109,965 72.229,968 17.474,969 57.806,972 247.193,973 28.269,974 72.156,977 247.193,978 25.854,979 49.426,981 25.145,982 247.193,983 28.269,984 72.156,986 0.584,987 0.341,988 0.182,989 0.102,990 15,991 6,992 0.049,993 2,994 1,995 1.133,996 3.107,997 130.296,998 0.133,999 15,1000 71.059,1005 11.92,1006 4.853,1007 2.379,1009 28.269,1010 8.132,1015 2.246,1018 347.618,1019 24,1024 12.324,1028 0.393,1031 38.265,1032 43.86,1034 0.242,1035 0.553,1036 0.785,1037 0.851,1038 0.861,1039 0.861,1040 4.472,1041 0.779,1042 5.407,1043 2.275,1044 4.043,1045 4.382,1046 1.653,1047 6.209,1048 4.03,1049 5.621,1050 0.191,1051 6.959,1052 1.885,1053 3.611,1054 4.06,1055 0.325,1056 7.076,1057 3.599,1058 6.898,1059 -0.305,1060 8.612,1061 0.469,1062 5.624,1063 6.377,1064 1.915,1065 10.188,1066 5.61,1067 8.206,1068 -0.727,1069 10.323,1070 -0.704,1071 6.019,1072 6.91,1073 0.268,1074 11.925,1075 6.027,1076 9.554,1077 -0.865,1078 12.074,1079 -1.797,1080 7.507,1081 8.736,1082 2.299,1083 14.556,1084 7.513,1085 10.928,1086 -1,1087 13.854,1088 -2.147,1089 8.299,1090 9.69,1091 0.188,1092 16.668,1093 8.337,1094 12.326,1095 -1.176,1096 15.655,1097 -3,1098 9.574,1099 11.303,1100 2.732,1101 19.134,1102 9.614,1103 3.172,1104 -1.399,1105 17.474,1106 -3.049,1107 10.557,1108 12.468,1109 0.125,1110 21.402,1111 10.628,1112 2.622,1113 10.754,1114 19.308,1115 -3.585,1116 11.746,1117 13.977,1118 3.189,1119 23.81,1120 11.827,1121 2.24,1122 7.588,1123 21.153,1124 4.005,1125 12.819,1126 15.247,1127 0.082,1128 26.142,1129 12.925,1130 1.965,1131 6.506,1132 23.008,1133 2.814,1134 13.978,1135 16.702,1136 3.66,1137 28.529,1138 14.096,1139 1.669,1140 5.602,1141 24.871,1142 2.569,1143 15.091,1144 18.027,1145 0.054,1146 30.886,1147 15.232,1148 1.356,1149 4.925,1150 26.74,1151 2.165,1152 16.24,1153 19.452,1154 4.139,1155 33.265,1156 16.396,1157 1,1158 2.97,1159 28.615,1160 2.059,1161 17.373,1162 20.806,1163 0.035,1164 35.633,1165 17.547,1166 2804,1167 3898,1168 13.523,1169 25.074,1170 30.237,1171 30.907,1172 30.988,1173 30.01,1174 29.987,1175 35.379,1176 4.155,1177 85.947,1178 29.771,1179 5.449,1180 5.785,1181 6.367,1182 5.221,1183 5.172,1184 7.005,1185 2.555,1186 17.795,1187 5.214,1188 7.062,1189 1.512,1190 1.545,1191 1.549,1192 1.501,1193 1.499,1194 1.769,1195 0.208,1196 4.297,1197 1.489,1198 4.045,1199 4.072,1200 3.983,1201 3.979,1202 7.426,1203 3.977,1204 3.851,1205 3.911,1206 3.729,1207 3.724,1208 4.716,1209 3.716,1210 3.509,1211 3.567,1212 3.391,1213 3.376,1214 4.368,1215 3.371,1216 3.243,1217 3.324,1218 3.075,1219 3.043,1220 3.995,1221 3.037,1222 3.111,1223 3.206,1224 2.866,1225 2.941,1226 3.765,1227 2.91,1228 2.988,1229 3.029,1230 2.866,1231 2.845,1232 3.625,1233 2.842,1234 2.87,1235 2.971,1236 2.612,1237 2.682,1238 3.474,1239 2.651,1240 2.572,1241 2.643,1242 2.413,1243 2.334,1244 3.353,1245 2.325,1246 0.222,1247 0.189,1248 0.334,1249 0.209,1250 0.159,1251 4.449,1252 0.2,1253 3.785,1254 0.064,1255 6.686,1256 0.538,1257 4.186,1258 0.161,1259 3.172,1260 4.005,1261 1.277,1262 10.754,1263 3.214,1264 1.892,1265 1.869,1266 2.088,1267 2.044,1268 1.489,1269 2.062,1270 1.881,1271 1.828,1272 2.001,1273 1.961,1274 1.191,1275 1.975,1276 1.583,1277 1.533,1278 1.798,1279 1.767,1280 1.071,1281 1.78,1282 1.236,1283 1.147,1284 1.572,1285 1.481,1286 0.825,1287 1.515,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.746,1293 1.429,1294 1.036,1295 1,1296 1.312,1297 1.216,1298 0.509,1299 1.237,1300 0.901,1301 0.816,1302 1.189,1303 1.144,1304 0.317,1305 1.175,1306 0.73,1307 0.643,1308 1.079,1309 0.956,1310 0.203,1311 1.003,1312 3.714,1314 5.03,1315 2.398,1316 6.544,1317 4.844,1318 8.141,1319 7.018,1320 9.781,1322 2.187,1328 6.979,1332 1.014,1333 2.391,1340 23.004,1341 49.892,1342 113.889,1343 161.866,1344 175.376,1345 177.376,1346 177.376,1347 27.118,1348 6.507,1349 20.31,1350 20.31,1351 17,1352 12.117,1353 3,1354 2.322,1355 25.807,1356 50,1357 52,1358 0.259,1359 141.149,1360 246.61,1361 336.163,1362 5004,1364 12.535,1365 0.696,1366 0.615,1367 12.535,1368 11.062,1369 8.737,1370 0.437,1371 0.352,1372 6.995,1373 8.56,1374 6.789,1375 5.613,1376 8.737,1377 7.045,1378 7.925,1379 0.283,1380 0.211,1381 7.925,1382 5.905,1383 6.764,1384 0.183,1385 0.124,1386 6.764,1387 4.576,1388 5.478,1389 0.114,1390 0.071,1391 5.478,1392 3.407,1393 4.565,1394 0.077,1395 0.044,1396 4.565,1397 2.625,1398 0.396,1399 53.697,1400 0.272,1401 18.007,1402 0.734,1403 96,1404 203.381,1405 99.852,1406 200.289,1407 273.4,1408 188,1409 113,1410 195.397,1411 117.49,1412 202.212,1413 294.86,1414 190,1415 8.276}
{0 CHEMBL153934,1 1.229,2 18.559,3 6.361,4 40.456,5 143.968,6 5.636,7 0.162,8 4.453,9 4.606,10 3.776,11 3.974,12 5.242,13 3.888,14 5.103,15 5.327,16 4.119,17 4.44,18 5.803,19 4.308,20 5.476,21 5.751,22 4.121,23 4.635,24 6.119,25 4.442,26 5.555,27 5.878,28 3.949,29 4.56,30 6.14,31 4.322,32 5.383,33 5.7,34 3.784,35 4.387,36 6.017,37 4.157,38 5.258,39 5.579,40 3.684,41 4.276,42 5.842,43 4.048,44 5.155,45 5.459,46 3.656,47 4.233,48 5.749,49 4.009,50 5.176,51 5.492,52 3.652,53 4.206,54 5.792,55 3.984,56 0.109,57 1.172,58 21.36,59 8.645,60 10.923,61 12.712,62 0.292,63 1.986,64 38.76,65 14.986,66 23.356,67 22.358,68 0.369,69 2.554,70 53.228,71 20.195,72 35.309,73 30.255,74 0.377,75 2.481,76 54.57,77 20.545,78 42.516,79 30.883,80 0.36,81 2.082,82 46.379,83 17.022,84 42.013,85 25.634,86 0.304,87 1.834,88 40.669,89 15.322,90 29.982,91 22.872,92 0.321,93 1.718,94 37.171,95 14.638,96 26.264,97 21.498,98 0.263,99 1.705,100 37.585,101 14.243,102 31.126,103 21.235,104 11,105 50,106 0.189,107 0.4,108 0.591,109 0.717,110 0.756,111 0.782,112 3.559,113 1.159,114 -6.06,115 -5.91,116 -5.5,121 36.1,123 15,124 3,126 2,127 2,132 1,144 4,145 1,146 1,160 1,176 21,180 3,183 1,185 6,187 27,192 3,197 6,200 18,206 4,211 7,214 11,219 4,224 4,227 11,232 1,237 2,239 15,243 1,244 1,247 1,249 2,251 16,256 1,261 2,264 15,269 2,274 2,277 15,281 2376,282 23.051,283 23.051,284 23.051,285 23.051,286 23.051,287 22.198,288 24.838,289 14.142,290 23.259,291 18.362,292 18.362,293 18.362,294 18.362,295 18.362,296 17.015,297 39.514,298 6.875,299 18.663,300 5.146,301 3.776,302 2.538,303 1.718,304 1.464,305 1.296,306 4.258,312 1,313 1382,314 4.95,318 630.257,320 485.705,325 3.022,326 15.543,329 0.75,330 0.5,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.77,337 70.5,338 631,339 4.445,340 3.614,341 7.271,342 4.427,343 3.445,344 3.691,345 1.987,346 13.021,347 3.382,348 4.122,349 3.53,350 5.931,351 3.768,352 2.797,353 3.445,354 0.8,355 8.246,356 2.727,357 3.764,358 2.985,359 5.656,360 3.537,361 2.548,362 3.012,363 0.4,364 7.884,365 2.519,366 3.548,367 2.592,368 5.453,369 3.5,370 2.516,371 2.605,372 0.324,373 7.244,374 2.459,375 3.408,376 2.535,377 5.061,378 3.072,379 2.085,380 2.548,382 6.076,383 2.047,384 3,385 2,386 5.061,387 3,388 2,389 2,391 6.076,392 2,393 3,394 2,395 4.803,396 3,397 2,398 2,400 5.448,401 2,402 2.93,403 1.955,404 3.959,405 2.919,406 1.919,407 1.93,409 3.867,410 1.918,411 2.736,412 1.816,413 3.838,414 2.712,415 1.716,416 1.734,418 3.492,419 1.708,420 2.5,421 1.581,422 3.773,423 2.409,424 1.423,425 1.5,427 2.985,428 1.401,429 2.468,430 1.498,431 3.613,432 2.194,433 1.239,434 1.465,436 2.846,437 1.179,438 2.426,439 1.251,440 3.414,441 2.017,442 1.037,443 1.413,445 2.275,446 1.013,447 2.072,448 1,449 3.396,450 2,451 1,452 1.058,454 2.166,455 1,456 1.658,457 0.857,458 3.396,459 1.6,460 0.629,461 0.638,463 1.335,464 0.609,465 1.263,466 0.654,467 3.322,468 1.177,469 0.206,470 0.21,472 0.456,473 0.2,474 16.533,475 0.486,476 0.746,477 0.022,478 28.5,479 0.838,480 8,481 0.235,482 20.5,483 0.603,484 44.119,485 1.298,486 40.467,487 0.488,488 15.438,489 0.454,490 3.969,491 0.117,492 12.543,493 0.369,494 0.081,495 0.03,496 0.206,501 0.861,502 1.444,503 1.119,504 1.293,505 0.616,506 1.231,507 0.899,508 1.232,509 1.135,510 1.181,511 0.524,512 1.169,513 1.079,514 1.169,515 1.166,516 1.166,517 0.92,518 1.168,519 0.823,520 0.991,521 0.927,522 0.979,523 0.745,524 0.962,525 1.161,526 0.954,527 0.999,528 0.964,529 1.189,530 0.969,531 1.057,532 0.893,533 0.931,534 0.906,535 1.137,536 0.911,537 0.721,538 0.986,539 0.986,540 1.04,541 0.865,542 1.036,543 0.917,544 0.975,545 0.911,546 0.967,547 0.961,548 0.945,549 7.5,550 0.115,551 2,552 2.063,553 1.036,554 0.625,555 0.363,556 0.299,557 0.18,558 0.142,559 24663,560 38135,561 2.087,562 59,563 21,564 14,567 2,568 2,569 10,572 1.745,573 1.99,574 4.089,575 0.06,582 102.046,583 1.229,584 2.599,585 3.837,586 4.657,587 4.911,588 5.079,589 3.503,590 3.853,591 5.066,592 4.391,593 2463.51,594 8.792,595 46165.7,600 529.128,601 1.31,602 5.03,603 0.203,604 0.005,605 0.04,606 0.045,607 0.028,608 0.02,609 0.013,610 0.011,611 0.006,612 0.006,613 0.376,614 0.33,615 0.63,616 0.608,617 194.413,618 0.022,619 -0.066,620 0.058,621 0.006,622 0.019,623 0.029,624 0.046,625 -0.017,626 -0.038,627 -0.035,628 0.096,629 -0.04,630 -0.092,631 -0.1,632 -0.138,633 -0.124,634 -0.038,635 -0.132,636 0.028,637 -0.056,638 0.024,639 -0.025,640 0.072,641 -0.004,642 -0.047,643 -0.01,644 -0.024,645 -0.018,646 0.009,647 -0.018,648 -0.028,649 0.039,650 0.032,651 0.046,652 -0.016,653 0.044,654 0.129,655 -0.014,656 -0.017,657 -0.041,658 0.026,659 -0.041,660 0.039,661 -0.035,662 0.052,663 -0.002,664 0.084,665 0.023,666 1.528,667 5.143,668 0.471,669 46.118,670 0.975,671 1.136,672 4.834,673 23.368,674 0.614,675 3.638,676 3.932,677 4.127,678 4.407,679 4.635,680 4.736,681 4.779,682 4.754,683 4.29,684 4.277,685 11.255,686 0.553,687 467.82,688 3.638,689 5.165,690 5.984,691 6.853,692 7.694,693 8.58,694 9.434,695 10.333,696 11.197,697 12.106,698 3.6,700 1,704 1,705 1,715 4,720 2,722 6,736 1,741 83,743 7,744 1,745 37,747 86,748 30,749 6,750 2,751 4,756 4,757 8,767 6,768 4,770 15,772 7,773 23,774 4,777 1,782 1,786 1,793 49,794 4,795 2,796 4,802 3,808 0.5,809 1,829 5,831 3,843 1,853 1,859 2,864 2,868 34,876 17,877 2,880 3,881 1,882 1,893 1.2,896 1,901 17.083,902 14.7,903 7.528,904 5.797,907 0.855,908 1.11,909 0.936,910 9.624,911 8.595,912 3.738,913 4.135,914 4.457,915 4.863,916 5.243,917 5.297,918 5.393,919 5.357,920 4.769,921 4.761,922 0.917,923 46,924 12.753,926 5.322,927 0.026,929 7.316,931 26.289,933 22.94,936 1.816,937 61.75,941 553.242,942 107.574,943 39.146,945 25.145,948 107.574,949 578.387,950 39.146,951 16.793,952 60.24,953 55.916,954 29.85,955 9.067,957 553.242,959 553.242,960 146.72,961 25.145,964 435.531,965 142.856,968 78.251,969 68.469,972 553.242,973 64.291,974 107.574,977 553.242,978 52.876,979 57.822,980 36.022,981 25.145,982 553.242,983 64.291,984 107.574,986 0.569,987 0.309,988 0.164,989 0.089,990 22,991 9,992 0.174,993 15,994 6,995 1.5,996 4.95,997 278.073,998 0.75,999 12,1000 152.709,1005 25.86,1006 12.653,1007 7.895,1009 64.291,1010 8.243,1015 2.245,1017 36.022,1018 725.107,1019 41,1024 12.143,1028 0.139,1031 80.956,1032 94.254,1034 0.193,1035 0.408,1036 0.602,1037 0.731,1038 0.77,1039 0.797,1040 5.001,1041 1.919,1042 5.964,1043 5.448,1044 4.615,1045 4.82,1046 2.225,1047 6.753,1048 4.586,1049 6.121,1050 1.716,1051 7.502,1052 3.867,1053 4.205,1054 4.477,1055 1.668,1056 7.865,1057 4.15,1058 7.387,1059 1.423,1060 9.153,1061 3.492,1062 6.217,1063 6.679,1064 3.123,1065 10.906,1066 6.154,1067 8.68,1068 1.239,1069 10.881,1070 2.985,1071 6.648,1072 7.129,1073 3.181,1074 12.959,1075 6.551,1076 10.013,1077 1.037,1078 12.664,1079 2.846,1080 8.148,1081 8.862,1082 4.315,1083 15.621,1084 8.045,1085 11.372,1086 1,1087 14.489,1088 2.275,1089 9,1090 9.679,1091 4.656,1092 18.027,1093 8.865,1094 12.753,1095 0.629,1096 16.347,1097 2.166,1098 10.306,1099 11.22,1100 5.602,1101 20.606,1102 10.161,1103 3.445,1104 0.206,1105 18.231,1106 1.335,1107 11.365,1108 12.221,1109 6.091,1110 23.125,1111 11.193,1112 2.797,1113 13.021,1114 20.136,1115 0.456,1116 12.604,1117 13.669,1118 6.927,1119 25.691,1120 12.419,1121 2.548,1122 8.246,1123 22.057,1124 3.691,1125 13.758,1126 14.772,1127 7.501,1128 28.243,1129 13.55,1130 2.516,1131 7.884,1132 23.991,1133 3.445,1134 14.981,1135 16.167,1136 8.273,1137 30.808,1138 14.757,1139 2.085,1140 7.244,1141 25.936,1142 3.012,1143 16.177,1144 17.332,1145 8.894,1146 33.37,1147 15.933,1148 2,1149 6.076,1150 27.889,1151 2.605,1152 17.4,1153 18.693,1154 9.631,1155 35.935,1156 17.139,1157 2,1158 6.076,1159 29.849,1160 2.548,1161 18.616,1162 19.899,1163 10.279,1164 38.5,1165 18.336,1166 22996,1167 28728,1168 25.019,1169 50.984,1170 53.635,1171 54.785,1172 55.408,1173 53.124,1174 53.122,1175 58.5,1176 7.022,1177 146.831,1178 52.321,1179 5.445,1180 5.614,1181 7.214,1182 5.443,1183 5.445,1184 6.691,1185 3.497,1186 19.837,1187 5.382,1188 14.718,1189 1.45,1190 1.481,1191 1.498,1192 1.436,1193 1.436,1194 1.581,1195 0.19,1196 3.968,1197 1.414,1198 4.083,1199 4.131,1200 3.976,1201 3.994,1202 7.429,1203 3.983,1204 3.955,1205 3.991,1206 3.887,1207 3.877,1208 4.747,1209 3.875,1210 3.806,1211 3.869,1212 3.649,1213 3.686,1214 4.5,1215 3.667,1216 3.686,1217 3.756,1218 3.549,1219 3.53,1220 4.246,1221 3.519,1222 3.568,1223 3.637,1224 3.431,1225 3.372,1226 4.199,1227 3.381,1228 3.459,1229 3.545,1230 3.292,1231 3.274,1232 4.156,1233 3.267,1234 3.353,1235 3.429,1236 3.196,1237 3.147,1238 4.023,1239 3.146,1240 3.234,1241 3.306,1242 3.054,1243 3.096,1244 3.812,1245 3.073,1246 0.12,1247 0.098,1248 0.197,1249 0.12,1250 0.093,1251 4.445,1252 0.1,1253 3.614,1254 0.054,1255 7.271,1256 0.352,1257 4.427,1258 0.091,1259 3.445,1260 3.691,1261 1.987,1262 13.021,1263 3.382,1264 2.065,1265 2.022,1266 2.235,1267 2.18,1268 1.701,1269 2.201,1270 1.93,1271 1.901,1272 2.064,1273 2.035,1274 1.426,1275 2.042,1276 1.815,1277 1.753,1278 2.044,1279 1.972,1280 1.288,1281 2.004,1282 1.687,1283 1.62,1284 1.944,1285 1.877,1286 1.188,1287 1.901,1288 1.53,1289 1.464,1290 1.784,1291 1.764,1292 1.081,1293 1.774,1294 1.451,1295 1.371,1296 1.74,1297 1.68,1298 0.947,1299 1.706,1300 1.326,1301 1.249,1302 1.599,1303 1.566,1304 0.947,1305 1.582,1306 1.262,1307 1.192,1308 1.562,1309 1.449,1310 0.925,1311 1.489,1312 4.317,1314 5.617,1316 7.117,1318 8.737,1320 10.43,1322 4.061,1328 22.025,1329 7.132,1332 3.146,1333 2.074,1334 0.543,1340 45.895,1341 102.046,1342 215.741,1343 318.483,1344 386.56,1345 407.579,1346 421.579,1347 65.75,1348 7.74,1349 44.37,1350 44.37,1351 24,1352 12.632,1353 3,1354 2.322,1355 57.974,1356 239,1357 186,1358 0.111,1359 281.637,1360 498.45,1361 678.953,1362 33469,1364 23.805,1365 0.7,1366 0.645,1367 23.805,1368 21.918,1369 16.512,1370 0.446,1371 0.386,1372 14.201,1373 16.185,1374 13.788,1375 11.509,1376 16.512,1377 14.293,1378 14.857,1379 0.297,1380 0.241,1381 14.857,1382 12.041,1383 11.389,1384 0.187,1385 0.144,1386 11.389,1387 8.781,1388 9.781,1389 0.121,1390 0.091,1391 9.781,1392 7.379,1393 7.63,1394 0.075,1395 0.055,1396 7.63,1397 5.622,1398 0.193,1399 101.272,1400 0.2,1401 33.565,1402 0.264,1403 174,1404 310.046,1405 181.737,1406 307.992,1407 423.46,1408 290,1409 198,1410 307.129,1411 205.323,1412 318.116,1413 456.74,1414 298,1415 4}
{0 CHEMBL154155,1 1.236,2 4.444,3 2.3,4 5.289,5 37.562,6 6.431,7 0.667,8 2.999,9 3.113,10 2.443,11 2.543,12 4.069,13 2.49,14 3.468,15 3.659,16 2.637,17 2.802,18 4.429,19 2.728,20 3.491,21 3.669,22 2.526,23 2.82,24 4.46,25 2.705,26 3.519,27 3.783,28 1.987,29 2.608,30 4.293,31 2.39,32 3.262,33 3.608,34 1.472,35 2.16,36 3.836,37 1.885,38 2.632,39 2.931,40 0.967,41 1.511,42 3.277,43 1.327,44 1.895,45 2.11,46 0.409,47 1.189,48 2.565,49 0.948,50 2.195,51 2.648,52 0.062,53 0.835,54 2.303,55 0.485,56 0.016,57 0.228,58 4.348,59 1.954,60 4.574,61 2.574,62 0.075,63 0.336,64 7.29,65 2.872,66 9.428,67 3.82,68 0.056,69 0.353,70 7.362,71 3.04,72 9.456,73 4.086,74 0.064,75 0.341,76 7.56,77 2.983,78 10.022,79 4.193,80 0.039,81 0.247,82 5.744,83 2.206,84 7.007,85 3.249,86 0.06,87 0.115,88 3.146,89 0.979,90 5.15,91 1.352,92 0.004,93 0.063,94 1.258,95 0.563,96 1.498,97 0.807,98 0.018,99 0.069,100 1.833,101 0.63,102 2.411,103 1.003,104 6,105 11,106 0.277,107 0.581,108 0.699,109 0.746,110 0.746,111 0.746,112 2.353,113 0.978,114 -3.42,115 -3.4,116 -3.25,121 42.1,122 1,126 1,144 4,145 1,146 1,176 5,180 2,187 6,192 2,200 4,206 1,219 1,281 36,282 6.008,283 6.008,284 6.008,285 6.008,286 6.008,287 5.232,288 6.739,289 3.643,290 6.187,291 4.36,292 4.36,293 4.36,294 4.36,295 4.36,296 3.232,297 6.122,298 1.659,299 4.551,300 3.012,301 1.658,302 1.132,303 0.922,304 0.922,305 0.922,306 2.92,312 1,313 77,314 1.414,318 26.324,325 0.938,326 3.155,329 1,330 0.83,331 0.83,332 0.7,333 0.5,334 1,335 1,336 0.84,337 19,338 40,339 4.007,340 2.87,341 5.391,342 3.578,343 2.607,344 3.612,345 0.86,346 7.051,347 2.536,348 3.409,349 2.419,350 4.874,351 3.042,352 2.083,353 2.697,355 5.625,356 1.985,357 2.5,358 1.135,359 3.414,360 2,361 1,362 1.5,364 2.275,365 1,366 1.709,367 1,368 2.719,369 1.437,370 0.565,371 0.625,373 0.868,374 0.487,375 0.939,376 0.124,377 2,378 0.642,379 -0.309,380 -0.365,382 -0.533,383 -0.291,384 0.5,385 -0.723,386 1.664,388 -1,389 -1.402,391 -2.787,392 -1,393 -0.044,394 -1,395 0.907,396 -0.283,397 -1.233,398 -1.5,400 -3,401 -1.136,402 -0.5,403 -1.424,404 0.586,405 -0.816,406 -1.712,407 -2.166,409 -4.224,410 -1.58,411 -0.52,412 -2,413 0.445,414 -1,415 -2,416 -3,417 -0.86,418 -5.275,419 -2,474 4.333,475 0.481,476 0.174,477 0.019,478 11.5,479 1.278,480 6.5,481 0.722,482 5,483 0.556,484 4.333,485 0.481,486 10.067,487 0.53,488 5.549,489 0.617,490 2.525,491 0.281,492 1.8,493 0.2,494 0.231,496 0.231,501 0.854,502 1.229,503 0.927,504 1.204,505 0.951,506 1.091,507 1.471,508 0.816,509 0.932,510 0.805,511 1.115,512 0.807,513 1.177,514 1.275,515 1.232,516 1.274,517 1.122,518 1.261,519 0.908,520 1.199,521 1.204,522 1.212,523 1.183,524 1.237,525 0.35,526 0.864,527 0.708,528 0.864,529 0.484,530 0.831,531 2.295,532 0.448,533 1.132,534 0.463,535 1.727,536 0.639,537 0.222,538 1.94,539 1.716,540 1.98,541 1.118,542 2.013,549 2,551 0.889,552 0.25,553 0.342,554 0.118,559 319,560 762,561 1.876,562 52.6,563 3,564 7,572 1.346,573 1.742,574 2.296,575 -0.848,582 23.491,583 1.236,584 2.59,585 3.116,586 3.326,587 3.326,588 3.326,589 1.975,590 2.725,591 3.143,592 2.25,593 81.005,594 4.986,595 448.744,600 80.711,601 1.436,602 3.086,603 0.222,605 0.081,606 0.028,607 0.086,608 0.059,613 0.475,614 1,615 1,616 1.187,617 26.799,618 0.032,619 -0.126,620 0.035,621 -0.111,622 -0.052,623 -0.047,624 -0.132,625 0.191,626 0.072,627 0.188,628 0.015,629 0.158,630 -0.119,631 -0.264,632 -0.276,633 -0.272,634 -0.127,635 -0.289,636 -0.087,637 -0.282,638 -0.288,639 -0.291,640 -0.283,641 -0.309,642 0.134,643 -0.018,644 0.181,645 0.002,646 0.223,647 0.084,648 -0.376,649 0.38,650 -0.09,651 0.349,652 -0.267,653 0.187,654 -0.083,655 -0.998,656 -0.906,657 -1.023,658 -0.589,659 -1.053,660 0.277,661 0.725,662 0.88,663 0.763,664 0.632,665 0.873,666 0.749,667 1.469,668 0.667,669 3.333,670 0.987,671 1.12,672 2.193,673 4.808,674 0.645,675 2.303,676 2.485,677 2.565,678 2.565,679 2.708,680 2.197,681 1.099,685 2.809,686 0.597,687 122.18,688 2.303,689 3.714,690 4.466,691 5.252,692 6.028,693 6.817,694 7.598,695 8.386,696 9.17,697 9.957,715 4,720 2,722 6,739 1,741 19,743 6,744 1,745 9,747 19,748 8,749 6,750 2,751 4,756 1,757 1,763 1,772 6,773 2,793 10,794 1,796 1,808 1,809 1,829 1,859 1,864 2,868 9,878 1,893 5.3,898 1,901 5.167,902 4,903 2.167,904 1.014,907 1.223,908 1.281,909 0.901,910 1.854,911 5.579,912 2.565,913 3.068,914 3.504,915 3.899,916 4.386,917 3.876,918 2.784,922 1,923 9,924 3.287,925 -0.035,926 1.214,927 -0.048,929 7.593,931 6.326,932 -0.013,933 4.531,934 -0.025,935 0.002,936 2.093,937 18.833,938 0.039,941 117.711,942 66.042,945 11,948 66.042,949 128.711,951 19.708,953 37.905,955 19.429,957 117.711,959 117.711,960 66.042,961 11,964 117.711,965 11,968 8.825,969 57.217,972 117.711,973 11,974 66.042,977 117.711,978 8.429,979 57.613,981 11,982 117.711,983 11,984 66.042,986 0.552,987 0.308,988 0.136,989 0.078,990 5,991 2,992 0.053,993 1,995 1,996 2.056,997 39.746,999 6,1000 24.529,1005 6.304,1006 2.647,1007 1.542,1009 11,1010 7.961,1015 2.177,1018 194.753,1019 12,1031 18.745,1032 21.285,1034 0.291,1035 0.61,1036 0.733,1037 0.783,1038 0.783,1039 0.783,1040 3.676,1041 -1.712,1042 4.394,1043 -3,1044 3.135,1045 3.738,1046 0.908,1047 5.017,1048 3.067,1049 4.838,1050 -2,1051 5.849,1052 -4.224,1053 2.565,1054 3.332,1056 5.602,1057 2.468,1058 6.092,1060 7.393,1061 -5.275,1062 4.554,1063 5.833,1064 0.739,1065 8.463,1066 4.429,1067 7.382,1069 8.983,1071 4.71,1072 6.136,1074 9.757,1075 4.532,1076 8.696,1078 10.597,1080 6.196,1081 8.151,1082 0.593,1083 12.118,1084 6.02,1085 10.025,1087 12.228,1089 6.701,1090 8.8,1092 13.714,1093 6.464,1094 11.365,1096 13.868,1098 7.946,1099 10.568,1100 0.469,1101 15.873,1102 7.719,1103 2.607,1105 15.515,1107 8.639,1108 11.423,1110 17.624,1111 8.352,1112 2.083,1113 7.051,1114 17.167,1116 9.756,1117 13.038,1118 0.366,1119 19.685,1120 9.478,1121 1,1122 5.625,1123 18.823,1124 3.612,1125 10.558,1126 14.029,1128 21.523,1129 10.224,1130 0.565,1131 2.275,1132 20.481,1133 2.697,1134 11.606,1135 15.542,1136 0.283,1137 23.533,1138 11.274,1139 -0.309,1140 0.868,1141 22.143,1142 1.5,1143 12.472,1144 16.624,1146 25.42,1147 12.09,1148 -1,1149 -0.533,1150 23.806,1151 0.625,1152 13.48,1153 18.067,1154 0.217,1155 27.403,1156 13.095,1157 -1.233,1158 -2.787,1159 25.471,1160 -0.365,1161 14.384,1162 19.212,1164 29.318,1165 13.954,1166 384,1167 630,1168 5.663,1169 12.261,1170 12.583,1171 12.714,1172 13.24,1173 12.47,1174 12.509,1175 16.867,1176 1.72,1177 31.637,1178 12.015,1179 4.526,1180 4.87,1181 4.946,1182 4.578,1183 4.607,1184 6.612,1185 1.72,1186 12.326,1187 4.536,1188 4.176,1189 1.398,1190 1.413,1191 1.471,1192 1.386,1193 1.39,1194 1.874,1195 0.191,1196 3.515,1197 1.335,1198 3.916,1199 3.941,1200 3.849,1201 3.847,1202 4.87,1203 3.843,1204 3.314,1205 3.373,1206 3.15,1207 3.085,1208 4.398,1209 3.088,1210 3.042,1211 3.146,1212 2.768,1213 2.817,1214 3.744,1215 2.791,1216 2.854,1217 2.925,1218 2.687,1219 2.735,1220 3.674,1221 2.715,1222 2.434,1223 2.524,1224 2.163,1225 2.234,1226 3.12,1227 2.203,1228 1.602,1229 1.802,1230 1.206,1231 1.217,1232 2.623,1233 1.144,1234 1.516,1235 1.603,1236 1.039,1237 0.973,1238 1.992,1239 1.01,1240 0.958,1241 1.207,1242 0.347,1243 0.55,1244 1.193,1245 0.467,1246 0.445,1247 0.319,1248 0.599,1249 0.398,1250 0.29,1251 4.007,1252 0.401,1253 2.87,1254 0.096,1255 5.391,1256 0.783,1257 3.578,1258 0.282,1259 2.607,1260 3.612,1261 0.86,1262 7.051,1263 2.536,1264 1.901,1265 1.877,1266 2.028,1267 1.996,1268 1.117,1269 2.007,1270 1.272,1271 1.21,1272 1.608,1273 1.558,1274 0.627,1275 1.575,1276 1.074,1277 0.972,1278 1.476,1279 1.332,1280 0.529,1281 1.387,1282 0.886,1283 0.821,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.458,1289 0.371,1290 0.804,1291 0.699,1293 0.738,1296 0.381,1297 0.133,1299 0.23,1312 2.944,1314 4.143,1316 5.557,1318 7.055,1320 8.59,1322 3.726,1330 4.969,1340 11.349,1341 23.491,1342 49.201,1343 59.201,1344 63.201,1345 63.201,1346 63.201,1347 6.252,1348 4.357,1349 9.23,1350 9.23,1351 6,1352 10.565,1353 2.807,1354 2,1355 14.268,1356 16,1357 12,1358 0.54,1359 75.33,1360 124.57,1361 175.565,1362 247,1364 6.69,1365 0.743,1366 0.635,1367 6.69,1368 5.718,1369 4.326,1370 0.481,1371 0.326,1372 2.892,1373 4.169,1374 2.715,1375 2.348,1376 4.326,1377 2.934,1378 3.534,1379 0.321,1380 0.183,1381 3.534,1382 2.017,1383 2.713,1384 0.226,1385 0.105,1386 2.713,1387 1.257,1388 1.737,1389 0.145,1390 0.056,1391 1.737,1392 0.674,1393 1.374,1394 0.098,1395 0.031,1396 1.374,1397 0.438,1398 0.768,1399 27.07,1400 0.42,1401 8.909,1402 1.63,1403 40,1404 117.736,1405 42.879,1406 112.446,1407 150.66,1408 106,1409 43,1410 104.545,1411 45.658,1412 109.545,1413 151.42,1414 100,1415 5.375}
{0 CHEMBL154211,1 1.5,2 12.692,3 1.933,4 3.736,5 101.145,6 6.817,7 0.179,8 4.032,9 4.174,10 3.523,11 3.497,12 5.067,13 3.473,14 4.622,15 4.84,16 3.815,17 3.888,18 5.492,19 3.828,20 4.895,21 5.158,22 3.781,23 4.009,24 5.746,25 3.888,26 4.899,27 5.18,28 3.759,29 3.994,30 5.819,31 3.854,32 4.835,33 5.109,34 3.662,35 3.905,36 5.73,37 3.778,38 4.724,39 4.996,40 3.476,41 3.781,42 5.697,43 3.647,44 4.53,45 4.796,46 3.367,47 3.647,48 5.419,49 3.507,50 4.477,51 4.755,52 3.339,53 3.562,54 5.315,55 3.439,56 0.035,57 0.797,58 11.982,59 4.27,60 12.015,61 6.458,62 0.224,63 1.237,64 23.071,65 6.94,66 16.37,67 10.981,68 0.469,69 1.415,70 31.43,71 9.43,72 40.053,73 14.87,74 0.354,75 1.403,76 31.304,77 10.24,78 55.536,79 15.796,80 0.347,81 1.273,82 29.73,83 8.973,84 41.48,85 14.013,86 0.448,87 1.139,88 26.858,89 7.414,90 60.107,91 11.865,92 0.238,93 0.974,94 21.526,95 6.915,96 35.223,97 10.681,98 0.26,99 0.89,100 20.684,101 6.229,102 27.378,103 9.848,104 10,105 36,106 0.252,107 0.531,108 0.692,109 0.81,110 0.83,111 0.836,112 3.303,113 1.001,114 -1.1,115 -1.19,116 -1.28,121 36.5,123 3,127 8,138 1,141 1,144 2,154 2,160 2,176 3,180 7,183 1,185 1,187 1,191 1,192 2,195 2,197 1,205 3,206 1,209 2,211 1,219 2,223 1,224 1,227 2,231 1,232 2,235 1,239 3,244 1,247 2,251 1,256 1,259 1,261 3,264 1,268 1,274 2,277 1,281 1026,282 18.154,283 18.154,284 18.154,285 18.154,286 18.154,287 17.092,288 28.212,289 11.092,290 18.516,291 13.736,292 13.736,293 13.736,294 13.736,295 13.736,296 11.894,297 37.904,298 5.115,299 14.331,300 4.201,301 2.546,302 1.587,303 0.885,304 0.769,305 0.731,306 3.988,310 1,311 1,312 1,313 700,314 3.536,317 165.597,318 96.801,325 2.047,326 21.121,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 56,338 330,339 4.392,340 4.259,341 6.5,342 3.96,343 3.018,344 3.798,345 2.689,346 10.151,347 2.846,348 4.128,349 3.869,350 5.719,351 3.771,352 2.788,353 3.735,354 1.539,355 8.109,356 2.748,357 3.582,358 3.209,359 5.327,360 3.406,361 2.46,362 2.607,363 0.916,364 6.946,365 2.32,366 3.532,367 3.06,368 5.201,369 3.122,370 2.166,371 2.463,372 0.886,373 6.152,374 2.064,375 3.303,376 2.753,377 4.774,378 2.91,379 1.929,380 2.237,381 0.657,382 5.347,383 1.892,384 3.135,385 2.297,386 3.999,387 2.487,388 1.537,389 1.62,390 0.4,391 3.407,392 1.456,393 2.816,394 2.218,395 3.602,396 2.361,397 1.389,398 1.432,399 0.172,400 3.027,401 1.346,402 2.491,403 1.769,404 3.518,405 2.025,406 1.105,407 1.303,409 2.567,410 1.015,411 2.412,412 1.511,413 3.394,414 1.984,415 1,416 1.19,418 2.136,419 0.983,420 2.216,421 1.419,422 3.272,423 1.878,424 0.928,425 1.095,427 2.131,428 0.879,429 2.102,430 1.077,431 3.247,432 1.731,433 0.738,434 1.028,436 1.752,437 0.733,438 2,439 1.069,440 2.879,441 1.547,442 0.618,443 1,445 0.791,446 0.572,447 1.526,448 0.833,449 2.659,450 1.271,451 0.321,452 0.341,454 0.743,455 0.304,456 1.384,457 0.522,458 2.618,459 0.858,460 -0.104,461 -0.113,463 -0.262,464 -0.1,465 0.991,466 0.149,467 2.311,468 0.664,469 -0.265,470 -0.443,472 -0.38,473 -0.245,474 12.233,475 0.471,476 0.376,477 0.014,478 28.5,479 1.096,480 11,481 0.423,482 17.5,483 0.673,484 23.292,485 0.896,486 29.167,487 0.561,488 19.056,489 0.733,490 5.421,491 0.209,492 7.375,493 0.284,494 0.065,496 0.229,501 0.948,502 1.606,503 0.879,504 1.291,505 0.423,506 1.104,507 1.199,508 1.162,509 1.036,510 1.07,511 0.428,512 1.025,513 1.126,514 0.992,515 1.037,516 0.981,517 0.486,518 1.005,519 0.646,520 0.97,521 0.869,522 1.056,523 0.409,524 1.007,525 1.237,526 0.996,527 0.987,528 0.987,529 1.034,530 0.972,531 1.496,532 0.864,533 1.222,534 0.939,535 1.778,536 1.035,537 0.934,538 1.048,539 1.048,540 1.14,541 0.88,542 1.12,543 1.04,544 0.935,545 0.92,546 0.932,547 0.77,548 0.917,549 4,550 0.097,551 2,552 1.507,553 0.811,554 0.487,555 0.302,556 0.131,557 0.151,558 0.086,559 9304,560 22292,561 2.082,562 50,563 2,564 18,567 2,569 4,572 1.683,573 2,574 3.624,575 0.289,576 1,577 1,582 77.991,583 1.5,584 3.155,585 4.113,586 4.816,587 4.931,588 4.97,589 3.061,590 4.085,591 4.675,592 3.823,593 1242.34,594 8.054,595 16906.4,597 1,599 1,600 296.423,601 1.14,602 4.655,603 0.143,604 0.005,605 0.056,606 0.046,607 0.025,608 0.017,609 0.013,610 0.006,611 0.007,612 0.004,613 0.322,614 0.33,615 1,616 0.931,617 131.733,618 -0.032,619 -0.301,620 0.061,621 -0.127,622 0.139,623 -0.033,624 -0.115,625 -0.017,626 -0.053,627 -0.048,628 0.019,629 -0.036,630 0.001,631 -0.017,632 -0.046,633 0.003,634 0.102,635 -0.028,636 0.185,637 -0.025,638 0.096,639 -0.058,640 0.269,641 -0.006,642 -0.078,643 -0.072,644 0.009,645 -0.007,646 -0.1,647 0.007,648 -0.187,649 0.101,650 -0.207,651 -0.002,652 -0.31,653 -0.094,654 0.01,655 -0.075,656 -0.078,657 -0.135,658 -0.014,659 -0.124,660 0.027,661 -0.005,662 0.069,663 0.045,664 -0.028,665 0.063,666 1.518,667 3.016,668 0.615,669 26.42,670 0.996,671 1.141,672 -0.134,673 0.018,674 0.637,675 3.367,676 3.611,677 3.85,678 4.06,679 4.06,680 4.007,681 4.043,682 4.06,683 4.111,684 4.19,685 7.607,686 0.598,687 354.51,688 3.367,689 4.86,690 5.68,691 6.521,692 7.354,693 8.2,694 9.038,695 9.886,696 10.727,697 11.575,698 11.5,700 2,701 2,707 2,715 2,718 1,720 2,722 5,741 52,743 8,745 28,747 54,748 19,749 4,756 3,757 3,767 3,770 3,771 2,772 6,773 11,777 1,786 2,789 1,790 1,792 1,793 26,794 7,795 2,796 7,802 6,808 1,809 1,828 2,829 1,838 2,850 1,853 2,855 2,859 3,868 26,876 11,877 2,881 2,885 2,889 2,891 2,893 1.9,898 1,901 13,902 9.133,903 6.056,904 3.386,907 1.577,908 1.225,909 0.956,910 6.968,911 8.591,912 3.597,913 3.975,914 4.464,915 4.898,916 4.928,917 4.968,918 5.076,919 5.099,920 5.232,921 5.489,922 1,923 33,924 9.604,926 3.938,927 0.026,929 7.679,931 18.789,933 15.258,936 2.179,937 56.667,941 282.506,942 93.016,943 104.389,945 9.507,948 93.016,949 292.014,950 104.389,952 24.449,953 54.974,954 33.203,955 83.388,956 10.898,957 282.506,959 282.506,960 197.405,961 9.507,964 235.422,965 56.592,968 128.838,969 68.567,972 282.506,973 113.896,974 93.016,977 282.506,978 40.86,979 25.201,980 69.225,981 71.626,982 282.506,983 113.896,984 93.016,986 0.554,987 0.331,988 0.184,989 0.085,990 15,991 6,992 0.13,993 7,995 1,996 4.022,997 197.341,999 16,1000 112.211,1005 18.794,1006 9.639,1007 5.256,1009 113.896,1010 4.113,1013 5.927,1015 1.979,1017 36.022,1018 489.419,1019 35.5,1028 0.8,1031 51.774,1032 59.351,1034 0.263,1035 0.553,1036 0.722,1037 0.845,1038 0.865,1039 0.872,1040 4.838,1041 1.105,1042 5.609,1043 3.027,1044 4.29,1045 4.659,1046 3.185,1047 6.34,1048 4.207,1049 5.984,1050 1,1051 7.111,1052 2.567,1053 3.611,1054 4.159,1055 0.57,1056 7.096,1057 3.485,1058 7.249,1059 0.928,1060 8.714,1061 2.136,1062 5.796,1063 6.642,1064 4.78,1065 10.173,1066 5.629,1067 8.549,1068 0.738,1069 10.381,1070 2.131,1071 6.043,1072 7.131,1073 0.637,1074 11.837,1075 5.827,1076 9.886,1077 0.618,1078 12.092,1079 1.752,1080 7.582,1081 8.962,1082 6.667,1083 14.386,1084 7.329,1085 11.248,1086 0.321,1087 13.835,1088 0.791,1089 8.26,1090 9.894,1091 0.607,1092 16.419,1093 7.956,1094 12.629,1095 -0.104,1096 15.6,1097 0.743,1098 9.532,1099 11.454,1100 8.619,1101 18.803,1102 9.19,1103 3.018,1104 -0.265,1105 17.382,1106 -0.262,1107 10.419,1108 12.592,1109 0.548,1110 20.992,1111 10.024,1112 2.788,1113 10.151,1114 19.178,1115 -0.38,1116 11.578,1117 14.03,1118 10.59,1119 23.324,1120 11.141,1121 2.46,1122 8.109,1123 20.985,1124 3.798,1125 12.565,1126 15.266,1127 0.481,1128 25.581,1129 12.077,1130 2.166,1131 6.946,1132 22.802,1133 3.735,1134 13.678,1135 16.647,1136 12.566,1137 27.897,1138 13.144,1139 1.929,1140 6.152,1141 24.626,1142 2.607,1143 14.715,1144 17.93,1145 0.415,1146 30.185,1147 14.128,1148 1.537,1149 5.347,1150 26.457,1151 2.463,1152 15.809,1153 19.284,1154 14.544,1155 32.498,1156 15.174,1157 1.389,1158 3.407,1159 28.294,1160 2.237,1161 16.871,1162 20.589,1163 0.355,1164 34.8,1165 16.182,1166 8994,1167 14102,1168 19.068,1169 33.103,1170 42.538,1171 44.889,1172 41.419,1173 40.02,1174 39.995,1175 47.7,1176 14.521,1177 106.521,1178 38.314,1179 5.392,1180 6.152,1181 6.302,1182 5.018,1183 5.018,1184 6.553,1185 5.379,1186 16.833,1187 4.782,1188 9.778,1189 1.519,1190 1.603,1191 1.479,1192 1.429,1193 1.428,1194 1.704,1195 0.519,1196 3.804,1197 1.368,1198 3.982,1199 4.019,1200 3.917,1201 3.819,1202 6.856,1203 3.837,1204 3.88,1205 3.938,1206 3.825,1207 3.711,1208 6.782,1209 3.733,1210 3.793,1211 3.846,1212 3.663,1213 3.644,1214 5.039,1215 3.639,1216 3.523,1217 3.595,1218 3.426,1219 3.344,1220 4.512,1221 3.354,1222 3.4,1223 3.469,1224 3.275,1225 3.209,1226 4.303,1227 3.212,1228 3.2,1229 3.287,1230 3.021,1231 3.015,1232 4.18,1233 3.005,1234 3.111,1235 3.206,1236 2.915,1237 2.941,1238 3.687,1239 2.91,1240 2.993,1241 3.096,1242 2.866,1243 2.768,1244 3.622,1245 2.758,1246 0.157,1247 0.152,1248 0.232,1249 0.141,1250 0.108,1251 4.392,1252 0.136,1253 4.259,1254 0.096,1255 6.5,1256 0.363,1257 3.96,1258 0.102,1259 3.018,1260 3.798,1261 2.689,1262 10.151,1263 2.846,1264 1.832,1265 1.768,1266 2.055,1267 2.021,1268 1.408,1269 2.036,1270 1.705,1271 1.654,1272 1.89,1273 1.917,1274 1.173,1275 1.912,1276 1.601,1277 1.559,1278 1.749,1279 1.776,1280 1.002,1281 1.753,1282 1.527,1283 1.477,1284 1.714,1285 1.724,1286 0.934,1287 1.733,1288 1.477,1289 1.423,1290 1.667,1291 1.675,1292 0.855,1293 1.685,1294 1.31,1295 1.242,1296 1.533,1297 1.522,1298 0.825,1299 1.53,1300 1.153,1301 1.064,1302 1.513,1303 1.376,1304 0.622,1305 1.429,1306 1.026,1307 0.935,1308 1.336,1309 1.292,1310 0.532,1311 1.309,1312 4.043,1314 5.303,1315 3.045,1316 6.744,1317 5.283,1318 8.266,1319 7.261,1320 9.831,1328 10.925,1329 6.495,1333 4.494,1338 18.032,1339 3.902,1340 31.111,1341 77.991,1342 164.051,1343 213.894,1344 250.423,1345 256.423,1346 258.423,1347 44.121,1348 7.014,1349 91.26,1350 91.26,1351 16,1352 12.135,1353 3.17,1354 3.087,1355 44.782,1356 122,1357 102,1358 0.178,1359 195.115,1360 345.59,1361 467.841,1362 11589,1364 18.192,1365 0.7,1366 0.582,1367 18.192,1368 15.13,1369 12.796,1370 0.457,1371 0.334,1372 9.192,1373 12.243,1374 9.04,1375 7.465,1376 12.796,1377 9.339,1378 10.501,1379 0.292,1380 0.187,1381 10.501,1382 6.743,1383 8.851,1384 0.192,1385 0.106,1386 8.851,1387 4.854,1388 7.327,1389 0.129,1390 0.061,1391 7.327,1392 3.5,1393 4.949,1394 0.087,1395 0.039,1396 4.949,1397 2.218,1398 0.292,1399 80.443,1400 0.229,1401 25.982,1402 0.452,1403 128,1404 356.982,1405 141.255,1406 348.247,1407 468.84,1408 326,1409 146,1410 336.836,1411 160.644,1412 339.792,1413 488.46,1414 319,1415 7.523}
{0 CHEMBL154263,1 1.48,2 13.37,3 2.185,4 4.773,5 105.694,6 6.701,7 0.172,8 4.082,9 4.226,10 3.557,11 3.549,12 5.107,13 3.52,14 4.676,15 4.896,16 3.862,17 3.949,18 5.532,19 3.884,20 4.958,21 5.215,22 3.84,23 4.095,24 5.802,25 3.967,26 5.015,27 5.304,28 3.804,29 4.088,30 5.896,31 3.931,32 4.941,33 5.233,34 3.695,35 3.965,36 5.789,37 3.826,38 4.751,39 5.015,40 3.516,41 3.831,42 5.721,43 3.696,44 4.616,45 4.89,46 3.447,47 3.72,48 5.486,49 3.579,50 4.551,51 4.816,52 3.424,53 3.648,54 5.412,55 3.532,56 0.043,57 0.835,58 12.867,59 4.596,60 12.932,61 6.979,62 0.235,63 1.305,64 24.564,65 7.508,66 17.847,67 11.883,68 0.468,69 1.527,70 33.284,71 10.324,72 40.867,73 16.172,74 0.375,75 1.544,76 35.125,77 11.625,78 58.661,79 17.98,80 0.404,81 1.368,82 33.216,83 9.73,84 44.629,85 15.494,86 0.439,87 1.189,88 27.42,89 7.747,90 58.922,91 12.361,92 0.241,93 1.046,94 23.47,95 7.605,96 36.475,97 11.772,98 0.31,99 0.959,100 22.325,101 6.714,102 30.446,103 10.442,104 15,105 38,106 0.246,107 0.534,108 0.72,109 0.814,110 0.832,111 0.838,112 3.339,113 1.007,114 -1.32,115 -1.41,116 -1.47,121 36.4,122 1,123 2,124 1,127 8,138 1,141 1,144 2,154 2,160 2,176 4,180 7,183 1,185 1,187 3,191 1,192 2,195 2,197 1,205 3,206 2,209 2,211 1,219 2,223 1,224 1,227 2,231 1,232 2,235 1,239 3,244 2,247 2,251 2,256 1,259 1,261 3,264 2,268 1,274 2,277 1,281 1161,282 18.602,283 18.602,284 18.602,285 18.602,286 18.602,287 17.539,288 28.212,289 11.178,290 18.964,291 14.202,292 14.202,293 14.202,294 14.202,295 14.202,296 12.361,297 37.904,298 5.15,299 14.792,300 4.301,301 2.574,302 1.45,303 0.886,304 0.777,305 0.741,306 4.021,310 1,311 1,312 1,313 762,314 3.606,317 174.024,318 100.667,325 2.181,326 21.93,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 58,338 361,339 4.392,340 4.259,341 6.5,342 3.96,343 3.018,344 3.798,345 2.689,346 10.151,347 2.846,348 4.129,349 3.869,350 5.723,351 3.778,352 2.797,353 3.736,354 1.539,355 8.121,356 2.752,357 3.615,358 3.209,359 5.38,360 3.527,361 2.556,362 2.658,363 0.916,364 7.082,365 2.482,366 3.581,367 3.067,368 5.201,369 3.143,370 2.178,371 2.465,372 0.886,373 6.153,374 2.101,375 3.303,376 2.777,377 4.972,378 3.103,379 2.137,380 2.369,381 0.657,382 5.92,383 2.052,384 3.263,385 2.357,386 4.691,387 2.776,388 1.816,389 1.971,390 0.4,391 5.106,392 1.738,393 2.948,394 2.269,395 3.999,396 2.455,397 1.507,398 1.61,399 0.172,400 3.401,401 1.425,402 2.81,403 2.058,404 3.538,405 2.03,406 1.111,407 1.303,409 2.582,410 1.02,411 2.465,412 1.755,413 3.414,414 1.984,415 1,416 1.2,418 2.275,419 0.983,420 2.226,421 1.454,422 3.398,423 1.878,424 0.928,425 1.097,427 2.131,428 0.879,429 2.102,430 1.077,431 3.275,432 1.737,433 0.744,434 1.03,436 1.764,437 0.738,438 2,439 1.069,440 2.93,441 1.547,442 0.618,443 1,445 0.791,446 0.572,447 1.526,448 0.848,449 2.727,450 1.282,451 0.328,452 0.35,454 0.766,455 0.312,456 1.393,457 0.524,458 2.618,459 1.092,460 0.121,461 0.127,463 0.285,464 0.117,465 1.189,466 0.284,467 2.313,468 0.67,469 -0.259,470 -0.418,472 -0.361,473 -0.24,474 12.733,475 0.472,476 0.482,477 0.018,478 29,479 1.074,480 11,481 0.407,482 18,483 0.667,484 25.618,485 0.949,486 30.467,487 0.554,488 19.48,489 0.721,490 5.421,491 0.201,492 7.769,493 0.288,494 0.102,496 0.259,501 0.945,502 1.603,503 0.899,504 1.3,505 0.444,506 1.121,507 1.183,508 1.143,509 1.015,510 1.05,511 0.424,512 1.006,513 1.114,514 1.04,515 1.075,516 1.046,517 0.492,518 1.065,519 0.6,520 1.002,521 0.869,522 1.082,523 0.391,524 1.027,525 1.228,526 0.895,527 0.926,528 0.871,529 0.973,530 0.871,531 1.527,532 0.913,533 1.258,534 0.992,535 1.818,536 1.083,537 0.861,538 1.02,539 0.966,540 1.099,541 0.82,542 1.057,543 1.383,544 0.924,545 1.007,546 0.92,547 0.859,548 0.93,549 5,550 0.114,551 2.444,552 1.569,553 1.002,554 0.543,555 0.384,556 0.177,557 0.207,558 0.106,559 10301,560 23999,561 2.057,562 50.9,563 4,564 18,567 2,569 4,572 1.692,573 1.952,574 3.688,575 0.267,576 1,577 1,582 81.421,583 1.48,584 3.208,585 4.331,586 4.895,587 5.004,588 5.04,589 3.102,590 4.385,591 4.729,592 3.888,593 1364.52,594 8.161,595 19170.3,597 1,599 1,600 317.975,601 1.277,602 4.698,603 0.172,604 0.006,605 0.064,606 0.045,607 0.03,608 0.018,609 0.016,610 0.008,611 0.009,612 0.005,613 0.374,614 0.33,615 1,616 0.983,617 138.809,618 -0.023,619 -0.288,620 0.061,621 -0.121,622 0.126,623 -0.032,624 -0.098,625 0.007,626 -0.023,627 -0.016,628 0.028,629 -0.004,630 -0.003,631 -0.039,632 -0.087,633 -0.044,634 0.091,635 -0.076,636 0.195,637 -0.071,638 0.09,639 -0.084,640 0.259,641 -0.025,642 -0.064,643 0.001,644 0.074,645 0.08,646 -0.07,647 0.091,648 -0.194,649 0.081,650 -0.242,651 -0.042,652 -0.32,653 -0.135,654 0.062,655 -0.059,656 0.004,657 -0.096,658 0.026,659 -0.059,660 -0.066,661 0.022,662 0.003,663 0.061,664 -0.07,665 0.043,666 1.518,667 3.029,668 0.593,669 28.741,670 0.994,671 1.141,672 0.094,673 0.009,674 0.634,675 3.401,676 3.664,677 3.892,678 4.094,679 4.127,680 4.078,681 4.111,682 4.127,683 4.205,684 4.304,685 7.901,686 0.593,687 368.54,688 3.401,689 4.905,690 5.727,691 6.572,692 7.408,693 8.256,694 9.097,695 9.945,696 10.789,697 11.637,698 10.9,700 2,701 2,707 2,715 2,718 1,720 2,722 5,741 55,743 8,745 29,747 57,748 20,749 4,756 3,757 3,763 1,767 2,768 1,770 2,771 2,772 6,773 12,774 1,777 1,786 2,789 1,790 1,792 1,793 28,794 7,795 2,796 7,802 6,808 1,809 1,828 2,829 1,838 2,850 1,853 2,855 2,859 3,864 1,868 27,876 10,877 2,880 1,881 2,885 2,889 2,891 2,893 1.8,898 1,901 13.833,902 9.967,903 6.222,904 3.553,907 1.58,908 1.222,909 0.946,910 7.178,911 8.699,912 3.624,913 4.012,914 4.487,915 4.913,916 4.957,917 4.996,918 5.113,919 5.153,920 5.324,921 5.612,922 0.889,923 35,924 9.977,926 4.092,927 0.026,929 7.667,931 19.546,933 15.951,936 2.167,937 58.5,941 306.049,942 99.307,943 104.389,945 9.507,948 99.307,949 315.556,950 104.389,951 8.825,952 21.915,953 54.974,954 33.203,955 83.388,956 10.898,957 306.049,959 306.049,960 203.696,961 9.507,964 258.964,965 56.592,968 135.129,969 68.567,972 306.049,973 113.896,974 99.307,977 306.049,978 38.326,979 34.026,980 69.225,981 71.626,982 306.049,983 113.896,984 99.307,986 0.562,987 0.332,988 0.179,989 0.086,990 16,991 7,992 0.123,993 7,995 1,996 4.084,997 208.189,999 16,1000 120.382,1005 19.766,1006 9.806,1007 5.496,1009 113.896,1010 4.119,1013 5.954,1015 1.975,1017 36.022,1018 519.252,1019 36.5,1028 0.799,1031 54.658,1032 62.766,1034 0.256,1035 0.555,1036 0.749,1037 0.847,1038 0.866,1039 0.872,1040 4.877,1041 1.111,1042 5.673,1043 3.401,1044 4.344,1045 4.696,1046 3.185,1047 6.412,1048 4.265,1049 6.03,1050 1,1051 7.185,1052 2.582,1053 3.761,1054 4.248,1055 0.57,1056 7.182,1057 3.653,1058 7.3,1059 0.928,1060 8.793,1061 2.275,1062 5.866,1063 6.673,1064 4.78,1065 10.233,1066 5.712,1067 8.6,1068 0.744,1069 10.46,1070 2.131,1071 6.155,1072 7.171,1073 0.637,1074 11.879,1075 5.964,1076 9.935,1077 0.618,1078 12.168,1079 1.764,1080 7.655,1081 8.981,1082 6.667,1083 14.422,1084 7.421,1085 11.293,1086 0.328,1087 13.904,1088 0.791,1089 8.346,1090 9.911,1091 0.607,1092 16.44,1093 8.07,1094 12.671,1095 0.121,1096 15.661,1097 0.766,1098 9.6,1099 11.464,1100 8.619,1101 18.822,1102 9.28,1103 3.018,1104 -0.259,1105 17.436,1106 0.285,1107 10.488,1108 12.6,1109 0.548,1110 21.003,1111 10.121,1112 2.797,1113 10.151,1114 19.225,1115 -0.361,1116 11.637,1117 14.035,1118 10.59,1119 23.333,1120 11.225,1121 2.556,1122 8.121,1123 21.025,1124 3.798,1125 12.623,1126 15.27,1127 0.481,1128 25.587,1129 12.16,1130 2.178,1131 7.082,1132 22.836,1133 3.736,1134 13.729,1135 16.65,1136 12.566,1137 27.902,1138 13.218,1139 2.137,1140 6.153,1141 24.655,1142 2.658,1143 14.763,1144 17.932,1145 0.415,1146 30.188,1147 14.199,1148 1.816,1149 5.92,1150 26.481,1151 2.465,1152 15.853,1153 19.285,1154 14.544,1155 32.501,1156 15.238,1157 1.507,1158 5.106,1159 28.314,1160 2.369,1161 16.912,1162 20.59,1163 0.355,1164 34.802,1165 16.243,1166 10002,1167 15480,1168 19.474,1169 34.864,1170 44.262,1171 46.836,1172 43.357,1173 41.74,1174 41.718,1175 49.427,1176 14.521,1177 113.059,1178 40.034,1179 5.392,1180 6.152,1181 6.189,1182 5.018,1183 5.018,1184 6.553,1185 5.379,1186 16.833,1187 4.782,1188 12.42,1189 1.526,1190 1.615,1191 1.495,1192 1.439,1193 1.439,1194 1.704,1195 0.501,1196 3.899,1197 1.38,1198 3.987,1199 4.026,1200 3.919,1201 3.826,1202 6.856,1203 3.842,1204 3.881,1205 3.941,1206 3.825,1207 3.712,1208 6.782,1209 3.734,1210 3.822,1211 3.867,1212 3.7,1213 3.685,1214 5.039,1215 3.682,1216 3.526,1217 3.599,1218 3.428,1219 3.346,1220 4.512,1221 3.356,1222 3.404,1223 3.473,1224 3.282,1225 3.215,1226 4.339,1227 3.219,1228 3.296,1229 3.385,1230 3.119,1231 3.096,1232 4.183,1233 3.089,1234 3.111,1235 3.206,1236 2.915,1237 2.941,1238 3.869,1239 2.91,1240 3.051,1241 3.15,1242 2.866,1243 2.858,1244 3.622,1245 2.838,1246 0.151,1247 0.147,1248 0.224,1249 0.137,1250 0.104,1251 4.392,1252 0.131,1253 4.259,1254 0.093,1255 6.5,1256 0.35,1257 3.96,1258 0.098,1259 3.018,1260 3.798,1261 2.689,1262 10.151,1263 2.846,1264 1.862,1265 1.802,1266 2.077,1267 2.038,1268 1.438,1269 2.054,1270 1.705,1271 1.654,1272 1.89,1273 1.917,1274 1.173,1275 1.912,1276 1.602,1277 1.56,1278 1.754,1279 1.777,1280 1.002,1281 1.753,1282 1.54,1283 1.495,1284 1.729,1285 1.727,1286 0.96,1287 1.733,1288 1.488,1289 1.428,1290 1.683,1291 1.703,1292 0.86,1293 1.718,1294 1.317,1295 1.246,1296 1.558,1297 1.523,1298 0.825,1299 1.537,1300 1.183,1301 1.1,1302 1.513,1303 1.435,1304 0.676,1305 1.46,1306 1.153,1307 1.064,1308 1.494,1309 1.376,1310 0.613,1311 1.429,1312 4.078,1314 5.352,1315 3.045,1316 6.801,1317 5.283,1318 8.33,1319 7.261,1320 9.902,1322 2.326,1328 9.51,1329 6.503,1332 0.844,1333 4.506,1338 18.058,1339 3.907,1340 32.638,1341 81.421,1342 176.426,1343 238.2,1344 269.22,1345 275.22,1346 277.22,1347 48.203,1348 7.12,1349 91.26,1350 91.26,1351 16,1352 12.197,1353 3.17,1354 3.087,1355 47.468,1356 131,1357 119,1358 0.175,1359 204.707,1360 362.89,1361 491.246,1362 13258,1364 19.062,1365 0.706,1366 0.593,1367 19.062,1368 16,1369 13.19,1370 0.455,1371 0.336,1372 9.586,1373 12.637,1374 9.365,1375 7.761,1376 13.19,1377 9.733,1378 11.123,1379 0.293,1380 0.194,1381 11.123,1382 7.365,1383 9.261,1384 0.193,1385 0.11,1386 9.261,1387 5.282,1388 7.469,1389 0.127,1390 0.061,1391 7.469,1392 3.602,1393 5.24,1394 0.086,1395 0.04,1396 5.24,1397 2.446,1398 0.288,1399 82.806,1400 0.227,1401 26.848,1402 0.443,1403 134,1404 362.982,1405 147.255,1406 354.963,1407 478,1408 332,1409 153,1410 343.836,1411 167.644,1412 347.834,1413 499.53,1414 326,1415 6.538}
{0 CHEMBL154366,1 1.48,2 12.815,3 2.252,4 5.072,5 105.617,6 6.701,7 0.172,8 4.082,9 4.226,10 3.557,11 3.549,12 5.107,13 3.52,14 4.676,15 4.896,16 3.862,17 3.949,18 5.531,19 3.884,20 4.958,21 5.215,22 3.843,23 4.091,24 5.804,25 3.964,26 5.018,27 5.311,28 3.819,29 4.087,30 5.895,31 3.937,32 4.921,33 5.194,34 3.707,35 3.995,36 5.792,37 3.855,38 4.838,39 5.126,40 3.55,41 3.864,42 5.768,43 3.72,44 4.6,45 4.855,46 3.45,47 3.725,48 5.507,49 3.594,50 4.568,51 4.846,52 3.392,53 3.659,54 5.39,55 3.523,56 0.043,57 0.835,58 12.867,59 4.596,60 12.932,61 6.979,62 0.235,63 1.305,64 24.564,65 7.508,66 17.906,67 11.883,68 0.461,69 1.528,70 33.279,71 10.284,72 40.577,73 16.154,74 0.411,75 1.546,76 35.383,77 11.378,78 59.863,79 17.74,80 0.354,81 1.388,82 32.2,83 10.009,84 42.026,85 15.584,86 0.461,87 1.237,88 30.119,89 8.479,90 62.523,91 13.627,92 0.29,93 1.043,94 23.219,95 7.407,96 38.5,97 11.286,98 0.267,99 0.976,100 22.54,101 7.007,102 28.583,103 11.02,104 15,105 38,106 0.246,107 0.534,108 0.733,109 0.851,110 0.869,111 0.875,112 3.339,113 1.007,114 -1.32,115 -1.41,116 -1.47,121 36.4,122 1,123 2,124 1,127 8,138 1,141 1,144 2,154 2,160 2,176 4,180 7,183 1,185 1,187 2,191 1,192 3,195 2,197 1,200 1,205 3,206 1,209 2,211 1,219 2,223 1,224 1,227 2,231 1,232 3,235 1,239 4,244 1,247 2,251 2,256 1,259 1,261 3,264 1,268 1,274 3,277 1,281 1148,282 18.602,283 18.602,284 18.602,285 18.602,286 18.602,287 17.539,288 28.212,289 11.212,290 18.955,291 14.219,292 14.219,293 14.219,294 14.219,295 14.219,296 12.378,297 37.904,298 5.165,299 14.806,300 4.301,301 2.574,302 1.378,303 0.668,304 0.559,305 0.523,306 4.021,310 1,311 1,312 1,313 731,314 3.606,317 172.526,318 100.667,325 2.071,326 21.957,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 58,338 346,339 4.392,340 4.259,341 6.5,342 3.96,343 3.018,344 3.798,345 2.689,346 10.151,347 2.846,348 4.13,349 3.869,350 5.738,351 3.785,352 2.806,353 3.736,354 1.539,355 8.169,356 2.755,357 3.645,358 3.209,359 5.445,360 3.55,361 2.579,362 2.685,363 0.916,364 7.281,365 2.5,366 3.581,367 3.077,368 5.201,369 3.129,370 2.17,371 2.465,372 0.886,373 6.153,374 2.076,375 3.303,376 2.793,377 4.935,378 3.06,379 2.083,380 2.362,381 0.657,382 5.813,383 2.029,384 3.24,385 2.349,386 4.595,387 2.725,388 1.767,389 1.871,390 0.4,391 4.857,392 1.687,393 2.868,394 2.264,395 3.999,396 2.454,397 1.505,398 1.608,399 0.172,400 3.4,401 1.424,402 2.8,403 1.975,404 3.539,405 2.173,406 1.19,407 1.303,409 2.624,410 1.169,411 2.464,412 1.75,413 3.479,414 2.024,415 1.103,416 1.22,418 2.547,419 1.015,420 2.236,421 1.455,422 3.397,423 1.878,424 0.928,425 1.168,427 2.131,428 0.879,429 2.175,430 1.239,431 3.274,432 1.732,433 0.738,434 1.095,436 1.755,437 0.733,438 2.102,439 1.069,440 2.915,441 1.547,442 0.618,443 1.027,445 0.791,446 0.572,447 1.526,448 0.835,449 2.717,450 1.272,451 0.321,452 0.341,454 0.745,455 0.304,456 1.384,457 0.522,458 2.618,459 0.86,460 -0.103,461 -0.112,463 -0.271,464 -0.099,465 0.991,466 0.149,467 2.312,468 0.665,469 -0.264,470 -0.415,472 -0.383,473 -0.245,474 12.733,475 0.472,476 0.482,477 0.018,478 29,479 1.074,480 11,481 0.407,482 18,483 0.667,484 25.7,485 0.952,486 30.467,487 0.554,488 19.533,489 0.723,490 5.412,491 0.2,492 7.778,493 0.288,494 0.102,496 0.259,501 0.945,502 1.603,503 0.899,504 1.3,505 0.444,506 1.121,507 1.183,508 1.143,509 1.015,510 1.05,511 0.425,512 1.006,513 1.104,514 1.075,515 1.071,516 1.066,517 0.489,518 1.075,519 0.67,520 0.907,521 0.853,522 0.982,523 0.393,524 0.949,525 1.194,526 1.036,527 1.02,528 1.049,529 1.005,530 1.03,531 1.352,532 0.813,533 1.087,534 0.875,535 1.619,536 0.94,537 1.264,538 1.033,539 1.123,540 1.115,541 0.964,542 1.12,543 0.999,544 0.968,545 0.947,546 0.986,547 0.754,548 0.968,549 5,550 0.114,551 2.222,552 1.819,553 0.922,554 0.598,555 0.328,556 0.203,557 0.176,558 0.106,559 10213,560 23851,561 2.057,562 50.9,563 5,564 18,567 2,569 3,572 1.693,573 1.952,574 3.639,575 0.267,576 1,577 1,582 81.421,583 1.48,584 3.208,585 4.404,586 5.113,587 5.222,588 5.259,589 3.056,590 4.533,591 4.73,592 3.857,593 1353.83,594 8.164,595 19014.3,597 1,599 1,600 317.975,601 1.277,602 4.698,603 0.172,604 0.006,605 0.058,606 0.052,607 0.027,608 0.02,609 0.013,610 0.009,611 0.008,612 0.005,613 0.371,614 0.33,615 1,616 0.983,617 138.598,618 -0.023,619 -0.288,620 0.061,621 -0.121,622 0.126,623 -0.032,624 -0.098,625 0.007,626 -0.023,627 -0.016,628 0.027,629 -0.004,630 0.008,631 -0.075,632 -0.082,633 -0.063,634 0.094,635 -0.087,636 0.167,637 0.024,638 0.114,640 0.26,641 0.04,642 -0.07,643 -0.1,644 -0.031,645 -0.058,646 -0.097,647 -0.045,648 -0.104,649 0.117,650 -0.076,651 0.056,652 -0.232,653 0.003,654 -0.078,655 -0.046,656 -0.131,657 -0.107,658 -0.053,659 -0.13,660 0.03,661 -0.029,662 0.035,663 0.003,664 -0.033,665 0.019,666 1.518,667 3.03,668 0.593,669 28.241,670 0.994,671 1.141,672 0.094,673 0.009,674 0.634,675 3.401,676 3.664,677 3.892,678 4.111,679 4.111,680 4.094,681 4.094,682 4.143,683 4.205,684 4.263,685 7.819,686 0.593,687 368.54,688 3.401,689 4.905,690 5.727,691 6.575,692 7.409,693 8.261,694 9.1,695 9.953,696 10.793,697 11.646,698 10.9,700 2,701 2,707 2,715 2,718 1,720 2,722 5,741 55,743 8,745 29,747 57,748 20,749 4,756 3,757 3,763 1,767 2,768 1,770 2,771 2,772 6,773 12,774 1,777 1,786 2,789 1,790 1,792 1,793 28,794 7,795 2,796 7,802 6,808 1,809 1,828 2,829 1,838 2,850 1,853 2,855 2,859 3,864 1,868 27,876 10,877 2,880 1,881 2,885 2,889 2,891 2,893 1.8,898 1,901 13.833,902 9.967,903 6.222,904 3.553,907 1.58,908 1.222,909 0.946,910 7.178,911 8.699,912 3.624,913 4.012,914 4.487,915 4.92,916 4.95,917 5.009,918 5.11,919 5.17,920 5.335,921 5.548,922 1,923 35,924 9.978,926 4.093,927 0.026,929 7.667,931 19.546,933 15.951,936 2.167,937 58.5,941 306.049,942 99.307,943 104.389,945 9.507,948 99.307,949 315.556,950 104.389,951 8.825,952 21.915,953 54.974,954 33.203,955 83.388,956 10.898,957 306.049,959 306.049,960 203.696,961 9.507,964 270.735,965 44.821,968 135.129,969 68.567,972 306.049,973 113.896,974 99.307,977 306.049,978 38.326,979 34.026,980 69.225,981 71.626,982 306.049,983 113.896,984 99.307,986 0.561,987 0.331,988 0.183,989 0.084,990 16,991 7,992 0.123,993 7,995 1,996 4.071,997 208.801,999 16,1000 124.382,1005 19.766,1006 9.806,1007 5.496,1009 113.896,1010 4.121,1013 5.962,1015 1.975,1017 36.022,1018 519.252,1019 36.5,1028 0.799,1031 54.658,1032 62.766,1034 0.256,1035 0.555,1036 0.762,1037 0.884,1038 0.903,1039 0.91,1040 4.877,1041 1.19,1042 5.673,1043 3.4,1044 4.344,1045 4.696,1046 3.185,1047 6.415,1048 4.265,1049 6.03,1050 1.103,1051 7.185,1052 2.624,1053 3.761,1054 4.248,1055 0.57,1056 7.182,1057 3.653,1058 7.3,1059 0.928,1060 8.793,1061 2.547,1062 5.866,1063 6.673,1064 4.78,1065 10.245,1066 5.711,1067 8.6,1068 0.738,1069 10.462,1070 2.131,1071 6.155,1072 7.171,1073 0.637,1074 11.888,1075 5.962,1076 9.935,1077 0.618,1078 12.171,1079 1.755,1080 7.658,1081 8.982,1082 6.667,1083 14.439,1084 7.421,1085 11.294,1086 0.321,1087 13.909,1088 0.791,1089 8.353,1090 9.913,1091 0.607,1092 16.454,1093 8.072,1094 12.672,1095 -0.103,1096 15.668,1097 0.745,1098 9.608,1099 11.465,1100 8.619,1101 18.838,1102 9.284,1103 3.018,1104 -0.264,1105 17.444,1106 -0.271,1107 10.5,1108 12.601,1109 0.548,1110 21.016,1111 10.128,1112 2.806,1113 10.151,1114 19.234,1115 -0.383,1116 11.65,1117 14.036,1118 10.59,1119 23.346,1120 11.232,1121 2.579,1122 8.169,1123 21.035,1124 3.798,1125 12.639,1126 15.271,1127 0.481,1128 25.597,1129 12.169,1130 2.17,1131 7.281,1132 22.846,1133 3.736,1134 13.745,1135 16.65,1136 12.566,1137 27.912,1138 13.228,1139 2.083,1140 6.153,1141 24.666,1142 2.685,1143 14.78,1144 17.932,1145 0.415,1146 30.196,1147 14.211,1148 1.767,1149 5.813,1150 26.492,1151 2.465,1152 15.87,1153 19.286,1154 14.544,1155 32.507,1156 15.25,1157 1.505,1158 4.857,1159 28.325,1160 2.362,1161 16.93,1162 20.591,1163 0.355,1164 34.807,1165 16.256,1166 9918,1167 15366,1168 19.474,1169 34.864,1170 44.452,1171 46.98,1172 43.329,1173 41.651,1174 41.652,1175 49.357,1176 14.521,1177 112.837,1178 39.979,1179 5.392,1180 6.154,1181 6.189,1182 5.018,1183 5.018,1184 6.553,1185 5.379,1186 16.833,1187 4.783,1188 12.332,1189 1.533,1190 1.62,1191 1.494,1192 1.436,1193 1.436,1194 1.702,1195 0.501,1196 3.891,1197 1.379,1198 3.987,1199 4.026,1200 3.92,1201 3.827,1202 6.856,1203 3.843,1204 3.881,1205 3.941,1206 3.825,1207 3.712,1208 6.782,1209 3.734,1210 3.82,1211 3.865,1212 3.699,1213 3.682,1214 5.039,1215 3.679,1216 3.525,1217 3.598,1218 3.427,1219 3.346,1220 4.512,1221 3.355,1222 3.402,1223 3.471,1224 3.279,1225 3.212,1226 4.34,1227 3.216,1228 3.294,1229 3.383,1230 3.098,1231 3.116,1232 4.183,1233 3.096,1234 3.18,1235 3.269,1236 2.97,1237 3.004,1238 3.841,1239 2.987,1240 2.998,1241 3.101,1242 2.915,1243 2.775,1244 3.638,1245 2.764,1246 0.151,1247 0.147,1248 0.224,1249 0.137,1250 0.104,1251 4.392,1252 0.131,1253 4.259,1254 0.093,1255 6.5,1256 0.35,1257 3.96,1258 0.098,1259 3.018,1260 3.798,1261 2.689,1262 10.151,1263 2.846,1264 1.861,1265 1.801,1266 2.075,1267 2.038,1268 1.436,1269 2.053,1270 1.705,1271 1.654,1272 1.89,1273 1.917,1274 1.173,1275 1.912,1276 1.602,1277 1.56,1278 1.751,1279 1.776,1280 1.002,1281 1.753,1282 1.535,1283 1.489,1284 1.724,1285 1.726,1286 0.952,1287 1.733,1288 1.485,1289 1.426,1290 1.682,1291 1.694,1292 0.892,1293 1.707,1294 1.32,1295 1.246,1296 1.628,1297 1.524,1298 0.854,1299 1.56,1300 1.287,1301 1.208,1302 1.533,1303 1.509,1304 0.623,1305 1.527,1306 1.036,1307 0.946,1308 1.35,1309 1.3,1310 0.541,1311 1.32,1312 4.078,1314 5.352,1315 3.045,1316 6.801,1317 5.283,1318 8.332,1319 7.261,1320 9.906,1322 2.316,1328 9.566,1329 6.505,1332 0.774,1333 4.514,1338 18.061,1339 3.907,1340 32.638,1341 81.421,1342 176.426,1343 242.2,1344 281.22,1345 287.22,1346 289.22,1347 48.298,1348 7.12,1349 91.26,1350 91.26,1351 16,1352 12.204,1353 3.17,1354 3.087,1355 47.448,1356 130,1357 100,1358 0.176,1359 204.707,1360 362.89,1361 491.246,1362 13258,1364 19.062,1365 0.706,1366 0.593,1367 19.062,1368 16,1369 13.19,1370 0.455,1371 0.336,1372 9.586,1373 12.641,1374 9.362,1375 7.769,1376 13.19,1377 9.733,1378 11.134,1379 0.293,1380 0.194,1381 11.134,1382 7.388,1383 9.171,1384 0.191,1385 0.107,1386 9.171,1387 5.146,1388 7.678,1389 0.128,1390 0.064,1391 7.678,1392 3.812,1393 5.086,1394 0.085,1395 0.039,1396 5.086,1397 2.324,1398 0.29,1399 82.806,1400 0.227,1401 26.795,1402 0.448,1403 134,1404 362.982,1405 147.255,1406 355.094,1407 478.06,1408 332,1409 153,1410 343.836,1411 167.811,1412 348.189,1413 500.12,1414 326,1415 6.432}
{0 CHEMBL154433,1 1.592,2 12.692,3 0.703,4 0.495,5 98.078,6 7.13,7 0.179,8 4.01,9 4.143,10 3.537,11 3.439,12 5.086,13 3.439,14 4.595,15 4.801,16 3.824,17 3.812,18 5.52,19 3.784,20 4.823,21 5.067,22 3.783,23 3.937,24 5.74,25 3.843,26 4.83,27 5.094,28 3.761,29 3.953,30 5.792,31 3.828,32 4.828,33 5.098,34 3.668,35 3.869,36 5.744,37 3.756,38 4.682,39 4.941,40 3.494,41 3.731,42 5.71,43 3.613,44 4.493,45 4.757,46 3.377,47 3.582,48 5.411,49 3.46,50 4.42,51 4.69,52 3.34,53 3.487,54 5.293,55 3.388,56 0.039,57 0.759,58 11.115,59 3.952,60 12.46,61 5.827,62 0.324,63 1.15,64 22.299,65 6.18,66 21.425,67 9.574,68 0.613,69 1.303,70 29.356,71 8.336,72 43.399,73 12.945,74 0.342,75 1.326,76 28.92,77 9.633,78 54.627,79 14.707,80 0.445,81 1.222,82 29.949,83 8.612,84 49.859,85 13.468,86 0.585,87 1.076,88 25.83,89 6.857,90 67.675,91 10.962,92 0.249,93 0.912,94 20.772,95 6.449,96 36.817,97 10.022,98 0.308,99 0.821,100 19.768,101 5.604,102 30.973,103 8.889,104 10,105 36,106 0.27,107 0.557,108 0.703,109 0.808,110 0.828,111 0.835,112 3.303,113 0.955,114 -0.12,115 -0.26,116 -0.44,121 36,127 10,138 1,141 1,144 2,154 2,160 2,176 1,180 5,183 1,185 1,191 2,192 1,195 2,197 1,205 3,206 1,209 2,211 1,223 1,224 1,231 2,232 2,235 1,244 2,247 2,256 1,259 1,261 1,264 1,268 1,272 1,274 1,277 1,281 1026,282 18.154,283 18.154,284 18.154,285 18.154,286 18.154,287 17.092,288 28.988,289 11.092,290 18.676,291 13.736,292 13.736,293 13.736,294 13.736,295 13.736,296 11.894,297 39.444,298 5.115,299 14.553,300 4.052,301 2.359,302 1.5,303 0.88,304 0.76,305 0.72,306 3.988,311 1,312 1,313 700,314 3.536,317 165.597,318 96.801,325 2.047,326 24.251,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 57,338 330,339 4.392,340 4.259,341 6.5,342 3.96,343 3.018,344 3.798,345 2.689,346 10.151,347 2.846,348 4.128,349 3.869,350 5.719,351 3.771,352 2.788,353 3.735,354 1.539,355 8.109,356 2.747,357 3.582,358 3.209,359 5.327,360 3.395,361 2.46,362 2.607,363 0.916,364 6.946,365 2.291,366 3.532,367 3.072,368 5.201,369 3.122,370 2.166,371 2.463,372 0.886,373 6.152,374 2.063,375 3.303,376 2.787,377 4.774,378 2.896,379 1.929,380 2.237,381 0.86,382 5.347,383 1.861,384 3.135,385 2.36,386 3.999,387 2.473,388 1.537,389 1.62,390 0.657,391 3.407,392 1.437,393 2.816,394 2.268,395 3.602,396 2.261,397 1.389,398 1.432,399 0.4,400 3.027,401 1.2,402 2.491,403 2.02,404 3.518,405 2.022,406 1.105,407 1.303,408 0.172,409 2.567,410 1.011,411 2.412,412 1.751,413 3.394,414 1.952,415 1,416 1.19,418 2.136,419 0.946,420 2.216,421 1.453,422 3.272,423 1.877,424 0.928,425 1.095,427 2.131,428 0.879,429 2.102,430 1.256,431 3.247,432 1.73,433 0.738,434 1.028,436 1.752,437 0.731,438 2,439 1.069,440 2.879,441 1.547,442 0.618,443 1,445 0.791,446 0.572,447 1.526,448 0.842,449 2.659,450 1.271,451 0.321,452 0.341,454 0.743,455 0.304,456 1.384,457 0.523,458 2.618,459 0.835,460 -0.104,461 -0.113,463 -0.262,464 -0.097,465 0.991,466 0.2,467 2.311,468 0.663,469 -0.265,470 -0.443,472 -0.38,473 -0.245,474 12.067,475 0.464,476 0.376,477 0.014,478 29,479 1.115,480 11,481 0.423,482 18,483 0.692,484 22.064,485 0.849,486 29.333,487 0.587,488 20.284,489 0.78,490 5.92,491 0.228,492 6.877,493 0.264,494 0.066,496 0.232,501 0.952,502 1.667,503 0.829,504 1.342,505 0.463,506 1.098,507 1.396,508 1.112,509 1.051,510 0.986,511 0.551,512 0.953,513 1.18,514 0.949,515 1.097,516 0.936,517 0.576,518 1.005,519 0.525,520 1.055,521 0.873,522 1.167,523 0.411,524 1.098,525 1.11,526 0.97,527 0.969,528 0.959,529 1.013,530 0.953,531 1.175,532 0.879,533 1.22,534 0.964,535 1.71,536 1.076,537 0.762,538 1.076,539 0.975,540 1.172,541 0.827,542 1.118,543 0.992,544 0.919,545 0.895,546 0.896,547 0.793,548 0.881,549 4,550 0.097,551 2,552 1.507,553 0.811,554 0.487,555 0.302,556 0.131,557 0.151,558 0.086,559 9304,560 25532,561 2.082,562 48,564 22,567 2,572 1.683,573 2,574 3.624,575 0.327,577 1,582 79.585,583 1.592,584 3.285,585 4.143,586 4.764,587 4.884,588 4.924,589 3.061,590 4.085,591 4.675,592 3.823,593 1242.34,594 8.054,595 16906.4,597 1,600 282.193,601 1.14,602 4.655,603 0.143,604 0.005,605 0.056,606 0.046,607 0.025,608 0.017,609 0.013,610 0.006,611 0.007,612 0.004,613 0.322,614 0.33,615 1,616 0.931,617 131.733,618 -0.058,619 -0.365,620 0.066,621 -0.182,622 0.113,623 -0.053,624 -0.216,625 0.01,626 -0.071,627 0.012,628 -0.035,629 0.005,630 -0.055,631 0.042,632 -0.106,633 0.046,634 0.058,635 -0.035,636 0.161,637 -0.08,638 0.067,639 -0.135,640 0.261,641 -0.069,642 -0.089,643 -0.063,644 0.023,645 0.019,646 -0.109,647 0.034,648 -0.062,649 0.094,650 -0.221,651 -0.024,652 -0.292,653 -0.128,654 0.042,655 -0.111,656 -0.018,657 -0.166,658 0.016,659 -0.111,660 -0.008,661 0.006,662 0.095,663 0.077,664 -0.037,665 0.103,666 1.527,667 3.009,668 0.615,669 26.42,670 1.004,671 1.143,672 -1.114,673 1.242,674 0.636,675 3.367,676 3.611,677 3.85,678 4.06,679 4.06,680 4.007,681 4.043,682 4.06,683 4.111,684 4.19,685 7.607,686 0.606,687 356.48,688 3.367,689 4.86,690 5.68,691 6.521,692 7.354,693 8.2,694 9.038,695 9.886,696 10.727,697 11.575,698 12,700 2,701 2,707 2,715 2,718 1,720 2,722 5,741 50,743 8,745 28,747 52,748 18,749 4,756 3,757 3,771 2,772 6,773 10,777 1,786 2,789 1,790 1,792 1,793 24,794 8,795 2,796 8,802 6,808 1,809 2,828 2,829 1,838 2,850 1,853 2,855 2,858 1,859 3,868 26,876 10,877 2,878 1,881 2,885 2,889 2,891 2,893 4,897 1,898 1,901 13,902 8.8,903 6.056,904 3.053,907 1.577,908 1.225,909 0.949,910 6.933,911 8.591,912 3.597,913 3.975,914 4.464,915 4.898,916 4.928,917 4.968,918 5.076,919 5.099,920 5.232,921 5.489,922 1,923 33,924 9.583,926 3.921,927 0.026,929 7.756,931 18.507,933 14.798,936 2.256,937 58.667,941 258.964,942 94.598,943 104.389,945 20.507,948 94.598,949 279.471,950 104.389,952 26.03,953 54.974,954 44.203,955 83.388,956 10.898,957 258.964,959 258.964,960 198.986,961 20.507,964 258.964,965 9.507,966 11,968 130.419,969 68.567,972 258.964,973 124.896,974 94.598,977 258.964,978 42.442,979 25.201,980 69.225,981 82.626,982 258.964,983 124.896,984 94.598,986 0.554,987 0.331,988 0.184,989 0.085,990 15,991 6,992 0.135,993 7,995 1,996 4.022,997 197.341,999 16,1000 114.211,1005 18.756,1006 9.611,1007 5.237,1009 124.896,1010 4.04,1013 5.886,1015 1.892,1017 36.022,1018 478.458,1019 35.5,1028 0.781,1031 50.218,1032 57.145,1034 0.282,1035 0.582,1036 0.734,1037 0.844,1038 0.865,1039 0.872,1040 4.838,1041 1.105,1042 5.609,1043 3.027,1044 4.29,1045 4.659,1046 3.245,1047 6.34,1048 4.184,1049 5.984,1050 1,1051 7.111,1052 2.567,1053 3.611,1054 4.159,1055 0.57,1056 7.096,1057 3.485,1058 7.249,1059 0.928,1060 8.714,1061 2.136,1062 5.796,1063 6.642,1064 4.789,1065 10.173,1066 5.6,1067 8.549,1068 0.738,1069 10.381,1070 2.131,1071 6.043,1072 7.131,1073 0.637,1074 11.837,1075 5.827,1076 9.886,1077 0.618,1078 12.092,1079 1.752,1080 7.582,1081 8.962,1082 6.668,1083 14.386,1084 7.303,1085 11.248,1086 0.321,1087 13.835,1088 0.791,1089 8.26,1090 9.894,1091 0.607,1092 16.419,1093 7.953,1094 12.629,1095 -0.104,1096 15.6,1097 0.743,1098 9.532,1099 11.454,1100 8.62,1101 18.803,1102 9.168,1103 3.018,1104 -0.265,1105 17.382,1106 -0.262,1107 10.419,1108 12.592,1109 0.548,1110 20.992,1111 10.019,1112 2.788,1113 10.151,1114 19.178,1115 -0.38,1116 11.578,1117 14.03,1118 10.59,1119 23.324,1120 11.125,1121 2.46,1122 8.109,1123 20.985,1124 3.798,1125 12.565,1126 15.266,1127 0.481,1128 25.581,1129 12.071,1130 2.166,1131 6.946,1132 22.802,1133 3.735,1134 13.678,1135 16.647,1136 12.566,1137 27.897,1138 13.131,1139 1.929,1140 6.152,1141 24.626,1142 2.607,1143 14.715,1144 17.93,1145 0.415,1146 30.185,1147 14.122,1148 1.537,1149 5.347,1150 26.457,1151 2.463,1152 15.809,1153 19.284,1154 14.544,1155 32.498,1156 15.164,1157 1.389,1158 3.407,1159 28.294,1160 2.237,1161 16.871,1162 20.589,1163 0.355,1164 34.8,1165 16.176,1166 8994,1167 15014,1168 19.068,1169 31.796,1170 42.538,1171 45.033,1172 41.419,1173 40.035,1174 39.995,1175 47.7,1176 16.241,1177 106.521,1178 37.775,1179 5.392,1180 6.041,1181 6.302,1182 5.063,1183 5.018,1184 6.553,1185 5.379,1186 16.833,1187 4.762,1188 9.778,1189 1.519,1190 1.608,1191 1.479,1192 1.43,1193 1.428,1194 1.704,1195 0.58,1196 3.804,1197 1.349,1198 3.976,1199 4.01,1200 3.915,1201 3.809,1202 6.856,1203 3.83,1204 3.88,1205 3.933,1206 3.825,1207 3.71,1208 6.782,1209 3.733,1210 3.742,1211 3.794,1212 3.625,1213 3.525,1214 5.039,1215 3.54,1216 3.52,1217 3.589,1218 3.425,1219 3.341,1220 4.619,1221 3.351,1222 3.398,1223 3.467,1224 3.272,1225 3.204,1226 4.511,1227 3.207,1228 3.142,1229 3.221,1230 2.969,1231 2.949,1232 4.187,1233 2.939,1234 3.111,1235 3.206,1236 2.915,1237 2.941,1238 3.888,1239 2.91,1240 2.947,1241 3.042,1242 2.866,1243 2.687,1244 3.622,1245 2.713,1246 0.157,1247 0.152,1248 0.232,1249 0.141,1250 0.108,1251 4.392,1252 0.136,1253 4.259,1254 0.096,1255 6.5,1256 0.363,1257 3.96,1258 0.102,1259 3.018,1260 3.798,1261 2.689,1262 10.151,1263 2.846,1264 1.742,1265 1.686,1266 1.949,1267 1.984,1268 1.238,1269 1.975,1270 1.705,1271 1.654,1272 1.89,1273 1.916,1274 1.173,1275 1.912,1276 1.6,1277 1.558,1278 1.747,1279 1.775,1280 1.001,1281 1.753,1282 1.512,1283 1.45,1284 1.703,1285 1.723,1286 0.883,1287 1.733,1288 1.44,1289 1.399,1290 1.635,1291 1.642,1292 0.825,1293 1.643,1294 1.302,1295 1.238,1296 1.523,1297 1.521,1298 0.818,1299 1.526,1300 1.153,1301 1.064,1302 1.513,1303 1.376,1304 0.618,1305 1.429,1306 0.954,1307 0.862,1308 1.262,1309 1.255,1310 0.396,1311 1.251,1312 4.043,1314 5.303,1315 3.045,1316 6.744,1317 5.283,1318 8.266,1319 7.261,1320 9.831,1328 7.981,1329 6.466,1330 5.357,1333 4.358,1338 18.018,1339 3.886,1340 30.299,1341 79.585,1342 164.244,1343 207.173,1344 238.193,1345 244.193,1346 246.193,1347 43.788,1348 7.014,1349 100.49,1350 100.49,1351 16,1352 12.135,1353 3.17,1354 3.087,1355 44.782,1356 122,1357 102,1358 0.178,1359 189.519,1360 337.08,1361 454.186,1362 11589,1364 18.192,1365 0.7,1366 0.57,1367 18.192,1368 14.831,1369 12.796,1370 0.457,1371 0.318,1372 8.73,1373 12.098,1374 8.6,1375 7.046,1376 12.796,1377 8.916,1378 10.501,1379 0.292,1380 0.175,1381 10.501,1382 6.294,1383 8.851,1384 0.192,1385 0.098,1386 8.851,1387 4.509,1388 7.327,1389 0.129,1390 0.055,1391 7.327,1392 3.141,1393 4.949,1394 0.087,1395 0.033,1396 4.949,1397 1.903,1398 0.292,1399 81.443,1400 0.229,1401 25.982,1402 0.452,1403 128,1404 400.717,1405 144.134,1406 381.233,1407 508.2,1408 358,1409 146,1410 356.472,1411 163.412,1412 357.414,1413 514.94,1414 335,1415 4.959}
{0 CHEMBL154689,1 1.545,2 11.217,3 1.016,4 1.032,5 89.004,6 6.988,7 0.208,8 3.884,9 4.028,10 3.386,11 3.314,12 5.002,13 3.303,14 4.436,15 4.665,16 3.661,17 3.666,18 5.367,19 3.63,20 4.629,21 4.863,22 3.624,23 3.788,24 5.604,25 3.69,26 4.728,27 5.012,28 3.651,29 3.807,30 5.728,31 3.686,32 4.634,33 4.885,34 3.493,35 3.725,36 5.62,37 3.61,38 4.562,39 4.852,40 3.227,41 3.581,42 5.554,43 3.425,44 4.306,45 4.584,46 3.171,47 3.385,48 5.252,49 3.256,50 4.288,51 4.575,52 3.176,53 3.34,54 5.183,55 3.238,56 0.019,57 0.682,58 10.055,59 3.369,60 12.439,61 5.23,62 0.235,63 0.999,64 19.214,65 5.111,66 16.725,67 8.392,68 0.38,69 1.113,70 23.675,71 7.077,72 34.867,73 11.051,74 0.32,75 1.153,76 26.616,77 8.311,78 56.155,79 13.011,80 0.337,81 1.056,82 24.199,83 6.908,84 44.389,85 10.9,86 0.375,87 0.938,88 22.876,89 5.974,90 60.523,91 10.096,92 0.191,93 0.755,94 17.281,95 5.121,96 34.571,97 8.262,98 0.275,99 0.701,100 17.469,101 4.735,102 30.664,103 7.7,104 30,105 31,106 0.269,107 0.573,108 0.718,109 0.796,110 0.819,111 0.827,112 3.186,113 0.95,114 -0.38,115 -0.52,116 -0.67,121 35.6,126 2,127 6,138 1,141 1,144 2,154 2,160 2,176 1,180 5,183 1,185 1,191 1,192 1,195 2,197 1,205 3,206 1,209 2,211 1,223 1,224 1,231 1,232 1,235 1,244 1,247 2,256 1,259 1,261 1,264 1,268 1,274 1,277 1,281 734,282 15.585,283 15.585,284 15.585,285 15.585,286 15.585,287 14.523,288 25.049,289 9.43,290 15.947,291 11.736,292 11.736,293 11.736,294 11.736,295 11.736,296 9.894,297 34.368,298 4.294,299 12.312,300 3.947,301 2.201,302 1.367,303 0.922,304 0.789,305 0.745,306 3.847,311 1,312 1,313 526,314 3.873,317 149.186,325 1.705,326 19.354,329 1,330 1,331 1,332 0.9,333 0.5,334 1,335 1,336 0.91,337 50,338 258,339 4.392,340 4.259,341 6.5,342 3.96,343 3.018,344 3.798,345 2.689,346 10.151,347 2.846,348 4.124,349 3.869,350 5.675,351 3.753,352 2.763,353 3.735,354 1.539,355 7.971,356 2.738,357 3.582,358 3.209,359 5.202,360 3.192,361 2.247,362 2.511,363 0.916,364 6.16,365 2.128,366 3.369,367 3.009,368 5.029,369 3.114,370 2.159,371 2.458,372 0.886,373 6.076,374 2.055,375 3.303,376 2.628,377 4.338,378 2.716,379 1.772,380 1.951,381 0.657,382 4.341,383 1.666,384 2.923,385 2.28,386 3.998,387 2.445,388 1.496,389 1.605,390 0.4,391 3.392,392 1.415,393 2.804,394 2.088,395 3.529,396 2.025,397 1.106,398 1.303,399 0.172,400 2.567,401 1.015,402 2.461,403 1.749,404 3.394,405 1.877,406 0.928,407 1.194,409 2.131,410 0.879,411 2.221,412 1.45,413 3.27,414 1.729,415 0.736,416 1.095,418 1.744,419 0.73,420 2.102,421 1.069,422 2.838,423 1.547,424 0.618,425 1.028,427 0.791,428 0.572,429 1.526,430 0.83,431 2.618,432 1.268,433 0.318,434 0.338,436 0.733,437 0.301,438 1.38,439 0.521,440 2.412,441 0.696,442 -0.242,443 -0.311,445 -0.355,446 -0.226,447 0.823,448 0.049,449 2.296,450 0.622,451 -0.325,452 -0.481,454 -0.81,455 -0.308,456 0.506,457 -0.119,458 2.068,459 0.3,460 -0.637,461 -0.793,463 -1.519,464 -0.593,465 0.13,466 -0.252,467 1.516,468 -0.1,469 -1,470 -1,472 -2,473 -0.9,474 10.733,475 0.467,476 0.451,477 0.02,478 26.5,479 1.152,480 11,481 0.478,482 15.5,483 0.674,484 18.351,485 0.798,486 25.867,487 0.575,488 18.639,489 0.81,490 5.499,491 0.239,492 5.636,493 0.245,494 0.168,496 0.261,501 0.976,502 1.707,503 0.866,504 1.343,505 0.466,506 1.119,507 1.304,508 0.984,509 0.965,510 0.859,511 0.452,512 0.842,513 1.181,514 1.118,515 1.124,516 1.121,517 0.578,518 1.133,519 0.607,520 0.924,521 0.768,522 0.991,523 0.4,524 0.922,525 1.422,526 1.087,527 1.166,528 1.082,529 1.159,530 1.107,531 1.07,532 0.903,533 1.196,534 1.001,535 1.709,536 1.094,537 0.754,538 1.042,539 0.956,540 1.112,541 0.873,542 1.069,543 1.138,544 0.731,545 0.862,546 0.725,547 0.829,548 0.749,549 4.5,550 0.11,551 2,552 1.569,553 0.82,554 0.591,555 0.234,556 0.147,557 0.168,558 0.1,559 5938,560 16446,561 1.971,562 48.9,564 20,567 2,572 1.65,573 1.84,574 3.452,575 0.364,576 1,577 1,579 1,582 69.516,583 1.545,584 3.291,585 4.125,586 4.569,587 4.703,588 4.747,589 2.893,590 3.969,591 4.497,592 3.651,593 923.594,594 7.704,595 11333.2,597 1,600 247.133,601 1.41,602 4.449,603 0.188,604 0.007,605 0.065,606 0.056,607 0.028,608 0.025,609 0.014,610 0.009,611 0.009,612 0.006,613 0.406,614 0.33,615 1,616 1.325,617 111.158,618 -0.055,619 -0.398,620 0.051,621 -0.19,622 0.098,623 -0.069,624 -0.169,625 0.139,626 0.021,627 0.123,628 0.013,629 0.117,630 -0.023,631 -0.093,632 -0.146,633 -0.101,634 0.056,635 -0.145,636 0.221,637 -0.003,638 0.199,639 0.006,640 0.305,641 0.082,642 -0.207,643 -0.124,644 -0.174,645 -0.091,646 -0.188,647 -0.132,648 -0.106,649 0.041,650 -0.211,651 -0.075,652 -0.305,653 -0.146,654 0.075,655 -0.089,656 0.008,657 -0.128,658 0.022,659 -0.078,660 -0.013,661 0.162,662 0.144,663 0.223,664 -0.05,665 0.216,666 1.526,667 2.961,668 0.435,669 20.51,670 1,671 1.145,672 -0.847,673 0.717,674 0.635,675 3.219,676 3.466,677 3.664,678 3.871,679 3.784,680 3.761,681 3.714,682 3.584,683 3.664,684 3.784,685 6.815,686 0.601,687 314.44,688 3.219,689 4.71,690 5.517,691 6.361,692 7.188,693 8.036,694 8.87,695 9.719,696 10.556,697 11.405,698 13.3,700 2,701 2,707 2,715 2,718 1,720 2,722 5,741 45,743 8,745 24,747 46,748 16,749 4,756 2,757 2,771 2,772 6,773 8,777 1,786 2,789 1,790 1,792 1,793 22,794 7,795 2,796 7,802 6,808 1,809 1,828 2,838 2,850 1,853 2,855 2,859 2,864 2,868 23,876 6,877 2,881 2,885 2,889 2,891 2,893 2.2,898 1,901 12.5,902 8.633,903 5.389,904 2.586,907 1.533,908 1.238,909 0.929,910 6.49,911 7.985,912 3.481,913 3.876,914 4.368,915 4.821,916 4.805,917 4.826,918 4.829,919 4.599,920 4.765,921 5.137,922 1,923 28,924 8.438,926 3.357,927 0.026,929 7.812,931 16.121,933 12.437,936 2.312,937 53.167,941 235.422,942 97.994,943 104.389,945 9.507,948 97.994,949 244.929,950 104.389,951 16.793,952 12.634,953 54.974,954 33.203,955 83.388,956 10.898,957 235.422,959 235.422,960 202.383,961 9.507,964 235.422,965 9.507,968 117.023,969 85.36,972 235.422,973 113.896,974 97.994,977 235.422,978 29.045,979 41.994,980 69.225,981 71.626,982 235.422,983 113.896,984 97.994,986 0.556,987 0.321,988 0.18,989 0.079,990 12,991 6,992 0.152,993 7,995 1,996 3.611,997 161.589,999 10,1000 98.042,1005 17.368,1006 8.595,1007 5.007,1009 113.896,1010 3.979,1013 5.735,1015 1.861,1017 36.022,1018 447.312,1019 31.5,1028 0.782,1031 45.007,1032 51.521,1034 0.281,1035 0.599,1036 0.751,1037 0.832,1038 0.856,1039 0.864,1040 4.721,1041 0.928,1042 5.468,1043 2.567,1044 4.143,1045 4.559,1046 3.185,1047 6.209,1048 4.053,1049 5.894,1050 0.736,1051 6.982,1052 2.131,1053 3.611,1054 4.159,1055 0.57,1056 7.018,1057 3.485,1058 7.171,1059 0.618,1060 8.597,1061 1.744,1062 5.659,1063 6.586,1064 4.78,1065 10.069,1066 5.49,1067 8.482,1068 0.318,1069 10.273,1070 0.791,1071 5.994,1072 7.115,1073 0.637,1074 11.762,1075 5.787,1076 9.827,1077 -0.242,1078 11.992,1079 0.733,1080 7.46,1081 8.933,1082 6.667,1083 14.312,1084 7.213,1085 11.195,1086 -0.325,1087 13.742,1088 -0.355,1089 8.192,1090 9.881,1091 0.607,1092 16.364,1093 7.904,1094 12.582,1095 -0.637,1096 15.513,1097 -0.81,1098 9.427,1099 11.439,1100 8.619,1101 18.753,1102 9.097,1103 3.018,1104 -1,1105 17.302,1106 -1.519,1107 10.347,1108 12.583,1109 0.548,1110 20.955,1111 9.971,1112 2.763,1113 10.151,1114 19.105,1115 -2,1116 11.489,1117 14.022,1118 10.59,1119 23.292,1120 11.069,1121 2.247,1122 7.971,1123 20.918,1124 3.798,1125 12.497,1126 15.261,1127 0.481,1128 25.557,1129 12.028,1130 2.159,1131 6.16,1132 22.741,1133 3.735,1134 13.603,1135 16.642,1136 12.566,1137 27.877,1138 13.086,1139 1.772,1140 6.076,1141 24.572,1142 2.511,1143 14.653,1144 17.926,1145 0.415,1146 30.169,1147 14.084,1148 1.496,1149 4.341,1150 26.409,1151 2.458,1152 15.746,1153 19.281,1154 14.544,1155 32.485,1156 15.126,1157 1.106,1158 3.392,1159 28.251,1160 1.951,1161 16.816,1162 20.586,1163 0.355,1164 34.789,1165 16.143,1166 6046,1167 10190,1168 15.603,1169 28.58,1170 36.873,1171 39.257,1172 35.949,1173 34.354,1174 34.32,1175 42.033,1176 14.521,1177 92.112,1178 32.692,1179 5.361,1180 6.038,1181 6.189,1182 5.018,1183 5.018,1184 6.553,1185 5.379,1186 16.833,1187 4.76,1188 12.734,1189 1.536,1190 1.636,1191 1.498,1192 1.431,1193 1.43,1194 1.751,1195 0.605,1196 3.838,1197 1.362,1198 3.965,1199 3.999,1200 3.906,1201 3.801,1202 6.856,1203 3.822,1204 3.878,1205 3.927,1206 3.825,1207 3.71,1208 6.782,1209 3.733,1210 3.578,1211 3.668,1212 3.447,1213 3.364,1214 5.039,1215 3.373,1216 3.488,1217 3.558,1218 3.377,1219 3.291,1220 4.512,1221 3.3,1222 3.389,1223 3.463,1224 3.248,1225 3.186,1226 4.28,1227 3.187,1228 3.057,1229 3.154,1230 2.915,1231 2.868,1232 4.172,1233 2.85,1234 2.912,1235 3.009,1236 2.852,1237 2.652,1238 3.623,1239 2.713,1240 2.874,1241 2.981,1242 2.525,1243 2.618,1244 3.605,1245 2.57,1246 0.183,1247 0.177,1248 0.271,1249 0.165,1250 0.126,1251 4.392,1252 0.158,1253 4.259,1254 0.112,1255 6.5,1256 0.423,1257 3.96,1258 0.119,1259 3.018,1260 3.798,1261 2.689,1262 10.151,1263 2.846,1264 1.705,1265 1.654,1266 1.891,1267 1.92,1268 1.173,1269 1.913,1270 1.647,1271 1.59,1272 1.867,1273 1.878,1274 1.033,1275 1.88,1276 1.596,1277 1.553,1278 1.745,1279 1.774,1280 1,1281 1.753,1282 1.503,1283 1.436,1284 1.696,1285 1.722,1286 0.865,1287 1.733,1288 1.351,1289 1.274,1290 1.588,1291 1.54,1292 0.667,1293 1.564,1294 1.258,1295 1.197,1296 1.501,1297 1.51,1298 0.608,1299 1.505,1300 0.934,1301 0.828,1302 1.417,1303 1.239,1304 0.469,1305 1.308,1306 0.92,1307 0.804,1308 1.222,1309 1.239,1310 0.353,1311 1.221,1312 3.892,1314 5.153,1315 3.045,1316 6.581,1317 5.283,1318 8.09,1319 7.261,1320 9.647,1322 4.013,1328 4.501,1329 6.424,1333 4.084,1338 17.921,1339 3.866,1340 27.058,1341 69.516,1342 148.075,1343 185.624,1344 205.624,1345 211.624,1346 213.624,1347 42.659,1348 6.452,1349 91.26,1350 91.26,1351 10,1352 11.966,1353 3.17,1354 3.087,1355 45.71,1356 96,1357 82,1358 0.234,1359 173.731,1360 306.05,1361 415.664,1362 5215,1364 16.656,1365 0.724,1366 0.591,1367 16.656,1368 13.594,1369 11.135,1370 0.464,1371 0.317,1372 7.445,1373 10.567,1374 7.207,1375 6.039,1376 11.135,1377 7.601,1378 9.391,1379 0.303,1380 0.182,1381 9.391,1382 5.644,1383 7.264,1384 0.191,1385 0.092,1386 7.264,1387 3.498,1388 6.1,1389 0.13,1390 0.053,1391 6.1,1392 2.473,1393 3.758,1394 0.087,1395 0.032,1396 3.758,1397 1.367,1398 0.381,1399 70.641,1400 0.253,1401 23.242,1402 0.602,1403 110,1404 338.982,1405 122.589,1406 331.382,1407 439.28,1408 308,1409 124,1410 310.132,1411 137.978,1412 316.86,1413 449.36,1414 293,1415 6.409}
{0 CHEMBL154848,1 1.373,2 5.733,3 2.325,4 5.405,5 57.227,6 7.112,7 0.375,8 3.46,9 3.554,10 2.988,11 2.976,12 4.561,13 2.958,14 4.017,15 4.182,16 3.329,17 3.351,18 5.017,19 3.325,20 4.142,21 4.285,22 3.439,23 3.458,24 5.314,25 3.418,26 4.232,27 4.415,28 3.231,29 3.38,30 5.347,31 3.304,32 4.125,33 4.332,34 2.981,35 3.158,36 5.17,37 3.063,38 3.929,39 4.172,40 2.602,41 2.939,42 4.918,43 2.778,44 3.783,45 4.07,46 1.916,47 2.586,48 4.659,49 2.367,50 3.284,51 3.621,52 0.888,53 2.058,54 4.06,55 1.715,56 0.015,57 0.363,58 6.239,59 3.04,60 4.443,61 3.719,62 0.181,63 0.581,64 12.376,65 4.863,66 17.611,67 6.093,68 0.211,69 0.668,70 13.677,71 5.596,72 19.897,73 7.056,74 0.224,75 0.687,76 15.781,77 5.763,78 36.207,79 7.392,80 0.353,81 0.585,82 14.832,83 4.914,84 34.269,85 6.435,86 0.25,87 0.489,88 12.107,89 4.219,90 25.801,91 5.861,92 0.254,93 0.385,94 11.206,95 3.317,96 30.477,97 4.67,98 0.115,99 0.236,100 6.712,101 2.112,102 19.411,103 3.212,104 21,105 23,106 0.27,107 0.596,108 0.75,109 0.777,110 0.79,111 0.804,112 2.797,113 0.93,114 -3.34,115 -3.33,116 -3.19,121 41.4,122 1,123 1,124 1,126 2,144 2,145 2,146 2,159 1,176 6,180 4,187 7,191 1,192 8,200 6,206 4,214 2,218 1,219 3,231 1,232 2,281 155,282 10.033,283 10.033,284 10.033,285 10.033,286 10.033,287 9.241,288 14.156,289 5.638,290 10.353,291 7.722,292 7.722,293 7.722,294 7.722,295 7.722,296 6.261,297 15.627,298 2.468,299 8.022,300 3.485,301 1.828,302 1.044,303 0.906,304 0.837,305 0.768,306 3.435,311 1,312 1,313 176,314 2.236,317 29.103,318 33.283,321 52.444,325 0.853,326 16.263,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 33,338 86,339 4.521,340 3.782,341 6.693,342 4.207,343 3.204,344 4.171,345 1.277,346 10.785,347 3.218,348 3.999,349 3.182,350 6.086,351 3.663,352 2.709,353 3.374,354 0.86,355 8.761,356 2.573,357 3.295,358 2.558,359 5.328,360 2.956,361 1.958,362 2.506,363 0.86,364 6.131,365 1.944,366 3.055,367 2.199,368 4.86,369 2.778,370 1.803,371 2.184,373 5.316,374 1.758,375 2.525,376 1.894,377 4.221,378 2.272,379 1.335,380 1.483,382 3.465,383 1.231,384 1.888,385 1.28,386 3.136,387 1.513,388 0.554,389 0.69,391 1.086,392 0.521,393 1.479,394 1.012,395 2.783,396 1.222,397 0.37,398 0.4,400 0.504,401 0.312,402 1.104,403 0.5,404 2.419,405 0.803,406 -0.191,407 -0.23,409 -0.376,410 -0.187,411 0.703,412 -0.229,413 2.336,414 0.341,415 -0.617,416 -0.722,418 -1.414,419 -0.578,420 0.401,421 -0.448,422 2.126,423 0.105,424 -0.868,425 -1.093,427 -2.367,428 -0.835,429 0.002,430 -0.805,431 1.473,432 -0.238,433 -1.258,434 -1.483,436 -3.09,437 -1.23,438 -0.401,439 -1.139,440 1.311,441 -0.613,442 -1.55,443 -1.748,445 -4.492,446 -1.481,447 -0.5,448 -1.249,449 1.214,450 -0.78,451 -1.716,452 -1.97,454 -4.91,455 -1.518,456 -0.592,457 -1.587,458 1.056,459 -0.864,460 -1.791,461 -2.189,462 -0.86,463 -5.831,464 -1.808,465 -0.657,466 -1.75,467 0.501,468 -0.964,469 -1.942,470 -2.373,471 -0.86,472 -6.607,473 -1.92,474 7,475 0.467,476 0.418,477 0.028,478 17.75,479 1.183,480 8.5,481 0.567,482 9.25,483 0.617,484 10.841,485 0.723,486 17,487 0.586,488 11.095,489 0.74,490 3.542,491 0.236,492 3.626,493 0.242,494 0.262,496 0.429,501 0.74,502 1.262,503 0.791,504 1.231,505 0.581,506 1.055,507 1.136,508 0.753,509 0.792,510 0.73,511 0.728,512 0.695,513 0.887,514 1.195,515 0.934,516 1.179,517 1.021,518 1.085,519 1.242,520 1.207,521 1.175,522 1.199,523 1.625,524 1.177,525 1.265,526 1.045,527 1.19,528 1.051,529 0.929,530 1.096,531 0.764,532 1.153,533 1.095,534 1.173,535 0.555,536 1.2,537 1.327,538 0.785,539 1.237,540 0.812,541 1.372,542 0.975,543 0.686,544 0.882,545 1.054,546 0.921,547 1.479,548 1.043,549 3.5,551 2.222,552 1.639,553 0.919,554 0.65,555 0.234,559 1337,560 3757,561 1.955,562 48.3,563 5,564 8,568 1,572 1.538,573 1.765,574 2.588,575 -0.781,577 1,579 1,582 39.804,583 1.373,584 3.03,585 3.814,586 3.952,587 4.021,588 4.09,589 1.933,590 3.64,591 3.878,592 2.619,593 274.996,594 6.533,595 2221.12,597 1,600 140.881,601 1.566,602 3.796,603 0.219,605 0.097,606 0.068,607 0.051,608 0.05,609 0.029,613 0.514,614 1,615 1,616 1.157,617 56.914,618 -0.01,619 -0.115,620 0.058,621 -0.097,622 -0.023,623 -0.019,624 -0.131,625 0.289,626 0.156,627 0.3,628 -0.034,629 0.291,630 0.076,631 -0.14,632 -0.012,633 -0.137,634 0.03,635 -0.1,636 -0.161,637 -0.22,638 -0.212,639 -0.223,640 -0.213,641 -0.228,642 -0.048,643 -0.105,644 -0.184,645 -0.121,646 -0.046,647 -0.172,648 0.117,649 -0.226,650 -0.134,651 -0.237,652 0.163,653 -0.239,654 -0.219,655 0.066,656 -0.204,657 0.047,658 -0.135,659 -0.056,660 -0.024,661 -0.052,662 -0.076,663 -0.058,664 -0.199,665 -0.075,666 1.467,667 4.768,668 0.6,669 8,670 1.006,671 1.122,672 2.115,673 4.473,674 0.645,675 2.833,676 3.178,677 3.497,678 3.738,679 3.912,680 3.951,681 3.97,682 3.807,683 3.091,684 2.079,685 3.615,686 0.615,687 206.26,688 2.833,689 4.369,690 5.242,691 6.138,692 7.033,693 7.935,694 8.835,695 9.739,696 10.641,697 11.545,715 2,720 4,722 6,727 1,739 2,741 29,743 7,744 1,745 16,747 30,748 12,749 6,750 4,751 2,752 1,756 2,757 3,763 1,767 1,768 1,770 1,772 7,773 5,774 1,777 1,782 1,786 1,790 1,793 14,794 3,796 3,808 0.5,809 3,828 1,829 1,832 1,859 1,864 3,868 15,876 1,878 2,880 1,893 10.3,896 1,898 2,901 8.5,902 6.25,903 3.444,904 1.688,907 1.386,908 1.236,909 0.921,910 2.592,911 7.258,912 3.045,913 3.624,914 4.223,915 4.735,916 5.242,917 5.468,918 5.625,919 5.547,920 4.99,921 3.944,922 0.75,923 24,924 5.545,925 -0.001,926 2.308,927 0.026,929 7.844,931 10.538,933 8.49,936 2.344,937 35.167,938 0.004,941 164.795,942 74.07,945 47.145,948 74.07,949 211.94,951 30.591,952 2.535,953 18.952,954 30.278,955 38.858,957 164.795,959 164.795,960 74.07,961 47.145,964 164.795,965 47.145,968 11.36,969 62.71,972 164.795,973 47.145,974 74.07,977 164.795,978 24.526,979 49.544,981 47.145,982 164.795,983 47.145,984 74.07,986 0.583,987 0.375,988 0.2,989 0.106,990 12,991 6,992 0.067,993 2,994 1,995 1.222,996 2.595,997 100.17,998 0.222,999 9,1000 58.603,1005 10.34,1006 3.761,1007 1.58,1009 47.145,1010 3.676,1015 3.155,1018 286.01,1019 20,1024 11.768,1028 0.2,1031 29.167,1032 32.535,1034 0.283,1035 0.624,1036 0.785,1037 0.814,1038 0.828,1039 0.842,1040 4.297,1041 -0.191,1042 5.263,1043 0.504,1044 3.85,1045 4.304,1046 1.977,1047 6.133,1048 3.801,1049 5.514,1050 -0.617,1051 6.872,1052 -0.376,1053 3.611,1054 4.29,1056 7.149,1057 3.578,1058 6.846,1059 -0.868,1060 8.578,1061 -1.414,1062 5.509,1063 6.503,1064 2.142,1065 10.251,1066 5.445,1067 8.217,1068 -1.258,1069 10.335,1070 -2.367,1071 6.066,1072 7.268,1074 12.045,1075 6.017,1076 9.619,1077 -1.55,1078 12.124,1079 -3.09,1080 7.478,1081 9.015,1082 2.426,1083 14.675,1084 7.417,1085 11.042,1086 -1.716,1087 13.934,1088 -4.492,1089 8.379,1090 10.118,1092 16.796,1093 8.333,1094 12.481,1095 -1.791,1096 15.76,1097 -4.91,1098 9.617,1099 11.687,1100 2.796,1101 19.259,1102 9.571,1103 3.204,1104 -1.942,1105 17.596,1106 -5.831,1107 10.664,1108 12.948,1110 21.521,1111 10.63,1112 2.709,1113 10.785,1114 19.443,1115 -6.607,1116 11.842,1117 14.439,1118 3.22,1119 23.923,1120 11.814,1121 1.958,1122 8.761,1123 21.297,1124 4.171,1125 12.949,1126 15.779,1128 26.245,1129 12.933,1130 1.803,1131 6.131,1132 23.157,1133 3.374,1134 14.108,1135 17.235,1136 3.675,1137 28.626,1138 14.101,1139 1.335,1140 5.316,1141 25.022,1142 2.506,1143 15.242,1144 18.616,1146 30.976,1147 15.246,1148 0.554,1149 3.465,1150 26.892,1151 2.184,1152 16.396,1153 20.055,1154 4.146,1155 33.35,1156 16.409,1157 0.37,1158 1.086,1159 28.765,1160 1.483,1161 17.542,1162 21.457,1164 35.713,1165 17.566,1166 1451,1167 2484,1168 10.057,1169 18.693,1170 24.026,1171 25.613,1172 26.146,1173 23.744,1174 23.868,1175 29.617,1176 5.995,1177 72.093,1178 23.114,1179 5.345,1180 5.782,1181 6.235,1182 5.207,1183 5.204,1184 7.171,1185 2.555,1186 17.743,1187 5.218,1188 8.602,1189 1.502,1190 1.601,1191 1.634,1192 1.484,1193 1.492,1194 1.851,1195 0.375,1196 4.506,1197 1.445,1198 4.038,1199 4.051,1200 3.994,1201 3.965,1202 7.426,1203 3.969,1204 3.582,1205 3.611,1206 3.493,1207 3.423,1208 4.914,1209 3.431,1210 3.25,1211 3.315,1212 3.063,1213 2.963,1214 4.495,1215 2.973,1216 3.181,1217 3.263,1218 2.964,1219 2.942,1220 4.32,1221 2.936,1222 2.956,1223 2.997,1224 2.824,1225 2.777,1226 3.915,1227 2.771,1228 2.867,1229 2.962,1230 2.601,1231 2.66,1232 3.547,1233 2.632,1234 2.541,1235 2.599,1236 2.367,1237 2.28,1238 3.376,1239 2.295,1240 2.289,1241 2.343,1242 2.073,1243 2.097,1244 2.951,1245 2.087,1246 0.283,1247 0.236,1248 0.418,1249 0.263,1250 0.2,1251 4.521,1252 0.261,1253 3.782,1254 0.08,1255 6.693,1256 0.674,1257 4.207,1258 0.201,1259 3.204,1260 4.171,1261 1.277,1262 10.785,1263 3.218,1264 1.881,1265 1.872,1266 1.961,1267 1.978,1268 1.209,1269 1.969,1270 1.644,1271 1.599,1272 1.866,1273 1.808,1274 1.068,1275 1.829,1276 1.233,1277 1.185,1278 1.575,1279 1.522,1280 0.593,1281 1.539,1282 1.189,1283 1.111,1284 1.569,1285 1.521,1286 0.574,1287 1.533,1288 0.936,1289 0.845,1290 1.324,1291 1.194,1292 0.463,1293 1.241,1294 0.853,1295 0.798,1296 1.059,1297 1.073,1298 0.159,1299 1.065,1300 0.646,1301 0.567,1302 0.947,1303 0.88,1304 0.045,1305 0.915,1306 0.046,1308 0.427,1309 0.384,1311 0.379,1312 3.497,1314 4.828,1315 2.398,1316 6.372,1317 4.844,1318 8.008,1319 7.002,1320 9.694,1322 5.124,1328 0.8,1330 10.363,1332 0.08,1340 17.832,1341 39.804,1342 87.862,1343 110.617,1344 114.617,1345 116.617,1346 118.617,1347 23.891,1348 5.872,1349 35.53,1350 35.53,1351 11,1352 12.064,1353 3,1354 2.322,1355 23.408,1356 35,1357 27,1358 0.392,1359 111.371,1360 196.35,1361 263.505,1362 1882,1364 11,1365 0.733,1366 0.611,1367 11,1368 9.164,1369 7.168,1370 0.448,1371 0.31,1372 4.864,1373 6.799,1374 4.63,1375 3.891,1376 7.168,1377 4.961,1378 6.304,1379 0.274,1380 0.167,1381 6.304,1382 3.834,1383 5.749,1384 0.18,1385 0.089,1386 5.749,1387 2.849,1388 4.52,1389 0.11,1390 0.049,1391 4.52,1392 2.007,1393 3.49,1394 0.071,1395 0.027,1396 3.49,1397 1.313,1398 0.566,1399 45.817,1400 0.315,1401 14.636,1402 1.224,1403 78,1404 257.207,1405 85.861,1406 236.569,1407 316.42,1408 222,1409 94,1410 221.727,1411 102.416,1412 226.242,1413 329.65,1414 209,1415 6.42}
{0 CHEMBL154950,1 1.554,2 12.72,3 1.199,4 1.437,5 98.419,6 6.794,7 0.185,8 4.025,9 4.154,10 3.499,11 3.459,12 5.07,13 3.444,14 4.568,15 4.78,16 3.774,17 3.793,18 5.518,19 3.751,20 4.785,21 5.026,22 3.756,23 3.884,24 5.801,25 3.782,26 4.801,27 5.069,28 3.628,29 3.858,30 5.674,31 3.725,32 4.724,33 4.975,34 3.544,35 3.758,36 5.628,37 3.655,38 4.653,39 4.894,40 3.449,41 3.706,42 5.598,43 3.584,44 4.559,45 4.832,46 3.295,47 3.608,48 5.377,49 3.456,50 4.47,51 4.764,52 3.219,53 3.462,54 5.275,55 3.337,56 0.058,57 0.742,58 12.16,59 4.436,60 10.413,61 6.417,62 0.2,63 1.11,64 22.107,65 6.426,66 18.323,67 10.195,68 0.655,69 1.213,70 28.487,71 8.586,72 61.782,73 13.107,74 0.365,75 1.19,76 28.622,77 8.808,78 42.639,79 13.819,80 0.426,81 1.066,82 27.028,83 7.592,84 44.931,85 11.687,86 0.545,87 0.998,88 25.22,89 7.57,90 50.298,91 11.177,92 0.295,93 0.924,94 22.491,95 6.946,96 32.341,97 10.903,98 0.296,99 0.821,100 20.948,101 5.559,102 29.051,103 9.197,104 11,105 36,106 0.265,107 0.566,108 0.753,109 0.817,110 0.83,111 0.844,112 3.265,113 0.982,114 -1.53,115 -1.61,116 -1.65,121 35.3,123 3,126 1,127 6,140 2,144 2,154 2,158 2,176 3,180 4,187 1,191 2,192 2,195 4,196 1,197 1,206 1,209 2,211 1,219 2,227 2,231 1,232 2,235 2,236 1,239 3,244 1,248 1,251 1,261 2,268 2,269 1,272 1,274 2,281 956,282 17.129,283 17.129,284 17.129,285 17.129,286 17.129,287 15.578,288 26.181,289 10.343,290 17.493,291 13.262,292 13.262,293 13.262,294 13.262,295 13.262,296 11.169,297 36.341,298 4.844,299 13.842,300 4.118,301 2.348,302 1.25,303 0.878,304 0.799,305 0.721,306 3.946,311 1,312 1,313 678,314 3.24,316 72.595,317 80.075,318 95.436,325 2.154,326 25.408,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 55,338 318,339 4.661,340 3.586,341 6.941,342 4.243,343 3.285,344 4.195,345 0.916,346 11.563,347 3.14,348 4.128,349 3.06,350 5.719,351 3.772,352 2.788,353 3.736,354 0.657,355 8.109,356 2.748,357 3.533,358 2.754,359 5.327,360 3.406,361 2.46,362 2.607,363 0.6,364 6.946,365 2.32,366 3.22,367 2.297,368 4.957,369 2.929,370 1.957,371 2.31,372 0.6,373 5.35,374 1.905,375 3.138,376 2.206,377 4.912,378 2.721,379 1.778,380 2.235,381 0.172,382 4.922,383 1.669,384 3.117,385 2.131,386 4.774,387 2.521,388 1.599,389 2.18,391 4.601,392 1.466,393 2.552,394 1.724,395 3.721,396 2.405,397 1.446,398 1.54,400 3.208,401 1.385,402 2.42,403 1.475,404 3.58,405 2.297,406 1.344,407 1.415,409 2.996,410 1.273,411 2.203,412 1.277,413 3.293,414 1.984,415 1,416 1.079,418 2.136,419 0.983,420 2,421 1.077,422 3.247,423 1.788,424 0.825,425 1,427 1.881,428 0.79,429 1.824,430 0.903,431 3.177,432 1.624,433 0.678,434 0.778,436 1.553,437 0.639,438 1.568,439 0.712,440 2.825,441 1.332,442 0.422,443 0.459,445 0.732,446 0.382,447 1.065,448 0.285,449 2.685,450 0.915,451 -0.038,452 -0.041,454 -0.087,455 -0.036,456 0.953,457 0.125,458 2.397,459 0.763,460 -0.179,461 -0.194,463 -0.398,464 -0.168,465 0.572,466 -0.128,467 2,468 0.331,469 -0.572,470 -0.621,472 -1.195,473 -0.514,474 11.6,475 0.464,476 0.486,477 0.019,478 25.25,479 1.01,480 8.5,481 0.34,482 16.75,483 0.67,484 22.525,485 0.901,486 29.2,487 0.573,488 17.402,489 0.696,490 5.213,491 0.209,492 6.972,493 0.279,494 0.101,496 0.293,501 0.997,502 1.582,503 0.906,504 1.284,505 0.956,506 1.107,507 1.017,508 1.248,509 0.97,510 1.093,511 0.687,512 1.005,513 0.788,514 0.97,515 0.992,516 1.022,517 0.505,518 1.045,519 0.7,520 1.121,521 0.916,522 1.114,523 0.606,524 1.062,525 1.368,526 0.962,527 1.114,528 0.956,529 1.182,530 0.986,531 1.283,532 0.883,533 1.203,534 1.004,535 1.25,536 1.096,537 0.76,538 1.12,539 0.975,540 1.099,541 0.74,542 1.085,543 0.956,544 0.858,545 0.924,546 0.819,547 0.849,548 0.841,549 4,550 0.107,551 2.222,552 2.382,553 0.858,554 0.448,555 0.307,556 0.162,557 0.152,558 0.137,559 8740,560 21060,561 2.062,562 51,563 2,564 17,567 3,569 4,572 1.67,573 1.948,574 3.625,575 1.005,576 1,577 1,582 79.269,583 1.554,584 3.324,585 4.422,586 4.795,587 4.873,588 4.952,589 3.049,590 4.404,591 4.619,592 3.835,593 1150.49,594 7.931,595 15488.7,597 1,600 289.294,601 1.323,602 4.583,603 0.148,604 0.006,605 0.065,606 0.077,607 0.032,608 0.018,609 0.014,610 0.009,611 0.008,612 0.007,613 0.384,614 0.33,615 1,616 0.739,617 125.847,618 -0.097,619 -0.246,620 0.037,621 -0.063,622 -0.076,623 -0.002,624 -0.111,625 -0.065,626 0.002,627 -0.059,628 -0.004,629 -0.002,630 0.222,631 0.061,632 -0.008,633 -0.028,634 0.285,635 -0.062,636 0.083,637 -0.147,638 0.034,639 -0.115,640 0.11,641 -0.059,642 -0.206,643 0.001,644 -0.108,645 0.007,646 -0.17,647 -0.026,648 -0.082,649 0.091,650 -0.198,651 -0.022,652 -0.146,653 -0.128,654 0.016,655 -0.166,656 -0.028,657 -0.102,658 -0.003,659 -0.082,660 -0.09,661 0.083,662 0.054,663 0.092,664 -0.05,665 0.108,666 1.842,667 3.528,668 0.6,669 26.09,670 1.002,671 1.141,672 0.3,673 0.09,674 0.623,675 3.332,676 3.611,677 3.871,678 4.025,679 4.007,680 3.892,681 3.932,682 3.97,683 4.007,684 4.078,685 7.697,686 0.589,687 346.48,688 3.332,689 4.844,690 5.68,691 6.538,692 7.391,693 8.256,694 9.116,695 9.985,696 10.85,697 11.723,698 7.8,700 1,701 1,707 2,715 2,718 1,720 2,722 5,741 51,743 8,745 27,747 53,748 18,749 4,752 4,756 3,757 3,767 3,770 3,772 8,773 10,777 3,785 2,786 4,789 1,790 1,792 1,793 26,794 7,795 3,796 7,802 4,808 1,809 3,827 1,828 1,829 1,839 2,849 2,853 1,855 1,857 2,859 3,864 1,868 25,875 2,876 9,877 1,881 1,893 5.9,895 2,898 1,901 12.833,902 9.083,903 5.694,904 3.161,907 1.88,908 1.272,909 0.919,910 6.291,911 8.779,912 3.512,913 4.012,914 4.509,915 4.913,916 4.964,917 4.968,918 5.076,919 5.17,920 5.352,921 5.646,922 1,923 31,924 9.272,926 3.871,927 0.026,929 7.72,931 17.963,933 14.593,936 2.22,937 55.5,941 270.735,942 63.998,943 54.706,945 94.874,948 63.998,949 365.609,950 54.706,951 8.396,952 20.238,953 36.963,954 90.88,955 46.203,956 10.898,957 270.735,959 270.735,960 118.704,961 94.874,964 223.651,965 141.958,968 74.944,969 43.76,972 270.735,973 149.58,974 63.998,977 270.735,978 36.649,979 30.473,980 18.011,981 128.445,982 270.735,983 149.58,984 63.998,986 0.566,987 0.34,988 0.181,989 0.084,990 16,991 7,992 0.132,993 7,995 1,996 3.98,997 185.013,999 15,1000 112.096,1005 18.176,1006 8.653,1007 4.512,1009 149.58,1010 4.064,1013 5.872,1015 1.933,1017 103.377,1018 484.313,1019 32.5,1027 8.127,1028 0.398,1031 51.109,1032 58.189,1034 0.274,1035 0.586,1036 0.78,1037 0.845,1038 0.859,1039 0.873,1040 4.747,1041 1.344,1042 5.638,1043 3.208,1044 4.29,1045 4.696,1046 1.57,1047 6.418,1048 4.206,1049 5.913,1050 1,1051 7.177,1052 2.996,1053 3.761,1054 4.407,1055 0.325,1056 7.277,1057 3.632,1058 7.213,1059 0.825,1060 8.823,1061 2.136,1062 5.866,1063 6.788,1064 1.047,1065 10.466,1066 5.712,1067 8.556,1068 0.678,1069 10.538,1070 1.881,1071 6.275,1072 7.462,1073 0.393,1074 12.271,1075 6.07,1076 9.945,1077 0.422,1078 12.301,1079 1.553,1080 7.786,1081 9.245,1082 0.718,1083 14.982,1084 7.558,1085 11.364,1086 -0.038,1087 14.1,1088 0.732,1089 8.623,1090 10.344,1091 0.384,1092 17.158,1093 8.343,1094 12.808,1095 -0.179,1096 15.927,1097 -0.087,1098 9.912,1099 11.899,1100 0.522,1101 19.715,1102 9.602,1103 3.285,1104 -0.572,1105 17.777,1106 -0.398,1107 10.94,1108 13.181,1109 0.351,1110 22.043,1111 10.577,1112 2.788,1113 11.563,1114 19.645,1115 -1.195,1116 12.148,1117 14.649,1118 0.403,1119 24.539,1120 11.749,1121 2.46,1122 8.109,1123 21.526,1124 4.195,1125 13.259,1126 16.008,1127 0.312,1128 26.932,1129 12.809,1130 1.957,1131 6.946,1132 23.42,1133 3.736,1134 14.441,1135 17.443,1136 0.325,1137 29.403,1138 13.95,1139 1.778,1140 5.35,1141 25.322,1142 2.607,1143 15.589,1144 18.835,1145 0.273,1146 31.825,1147 15.049,1148 1.599,1149 4.922,1150 27.232,1151 2.31,1152 16.766,1153 20.259,1154 0.269,1155 34.283,1156 16.181,1157 1.446,1158 4.601,1159 29.148,1160 2.235,1161 17.932,1162 21.667,1163 0.236,1164 36.719,1165 17.298,1166 8416,1167 13259,1168 18.087,1169 31.762,1170 39.84,1171 39.578,1172 40.986,1173 39.198,1174 39.163,1175 47.07,1176 5.892,1177 107.996,1178 37.4,1179 5.661,1180 5.586,1181 6.743,1182 5.283,1183 5.285,1184 6.909,1185 1.605,1186 19.563,1187 5.14,1188 11.605,1189 1.476,1190 1.466,1191 1.518,1192 1.452,1193 1.45,1194 1.743,1195 0.218,1196 4,1197 1.385,1198 3.983,1199 4.015,1200 3.927,1201 3.824,1202 6.539,1203 3.844,1204 3.909,1205 3.935,1206 3.881,1207 3.77,1208 6.391,1209 3.794,1210 3.794,1211 3.848,1212 3.663,1213 3.644,1214 5.039,1215 3.639,1216 3.536,1217 3.613,1218 3.393,1219 3.331,1220 4.748,1221 3.334,1222 3.233,1223 3.328,1224 3.061,1225 3.036,1226 4.36,1227 3.029,1228 3.19,1229 3.274,1230 3.007,1231 2.942,1232 4.299,1233 2.939,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 4.082,1239 2.91,1240 3.019,1241 3.112,1242 2.847,1243 2.781,1244 3.665,1245 2.779,1246 0.173,1247 0.133,1248 0.257,1249 0.157,1250 0.122,1251 4.661,1252 0.155,1253 3.586,1254 0.034,1255 6.941,1256 0.428,1257 4.243,1258 0.116,1259 3.285,1260 4.195,1261 0.916,1262 11.563,1263 3.14,1264 1.832,1265 1.81,1266 2.055,1267 2.021,1268 1.408,1269 2.036,1270 1.832,1271 1.768,1272 1.915,1273 2.001,1274 1.111,1275 1.974,1276 1.624,1277 1.573,1278 1.801,1279 1.841,1280 0.944,1281 1.832,1282 1.511,1283 1.471,1284 1.707,1285 1.677,1286 0.916,1287 1.686,1288 1.371,1289 1.317,1290 1.609,1291 1.591,1292 0.825,1293 1.601,1294 1.175,1295 1.079,1296 1.513,1297 1.461,1298 0.81,1299 1.478,1300 1.153,1301 1.064,1302 1.504,1303 1.376,1304 0.557,1305 1.429,1306 1.019,1307 0.929,1308 1.337,1309 1.283,1310 0.536,1311 1.306,1312 4.007,1314 5.333,1315 2.398,1316 6.868,1317 4.595,1318 8.496,1319 6.555,1320 10.173,1322 1.56,1327 18.933,1328 8.906,1329 3.267,1333 2.441,1340 30.025,1341 79.269,1342 169.545,1343 225.519,1344 244.539,1345 248.539,1346 252.539,1347 46.221,1348 6.899,1349 93.59,1350 93.59,1351 15,1352 12.266,1353 3.17,1354 2.7,1355 42.297,1356 118,1357 94,1358 0.171,1359 185.781,1360 329.15,1361 445.066,1362 9924,1364 17.648,1365 0.706,1366 0.587,1367 17.648,1368 14.663,1369 12.186,1370 0.451,1371 0.327,1372 8.686,1373 11.611,1374 8.503,1375 7.037,1376 12.186,1377 8.84,1378 10.377,1379 0.288,1380 0.177,1381 10.377,1382 6.381,1383 8.892,1384 0.189,1385 0.096,1386 8.892,1387 4.524,1388 6.993,1389 0.127,1390 0.056,1391 6.993,1392 3.084,1393 4.762,1394 0.088,1395 0.036,1396 4.762,1397 1.963,1398 0.284,1399 77.211,1400 0.235,1401 25.315,1402 0.43,1403 126,1404 369.303,1405 140.992,1406 349.305,1407 473.06,1408 328,1409 146,1410 342.446,1411 162.852,1412 342.847,1413 503.4,1414 322,1415 5.032}
{0 CHEMBL154972,1 1.49,2 13,3 3.811,4 14.523,5 119.113,6 7.188,7 0.333,8 4.117,9 4.249,10 3.66,11 3.638,12 5.197,13 3.618,14 4.679,15 4.873,16 3.982,17 4.032,18 5.61,19 3.982,20 4.958,21 5.2,22 3.999,23 4.157,24 5.865,25 4.061,26 4.997,27 5.261,28 3.968,29 4.162,30 5.952,31 4.045,32 4.921,33 5.171,34 3.901,35 4.1,36 5.865,37 3.995,38 4.866,39 5.111,40 3.82,41 4.042,42 5.893,43 3.929,44 4.758,45 5.017,46 3.666,47 3.894,48 5.823,49 3.773,50 4.623,51 4.897,52 3.531,53 3.746,54 5.54,55 3.629,56 0.034,57 0.864,58 11.929,59 4.76,60 13.019,61 6.646,62 0.184,63 1.389,64 22.872,65 7.953,66 16.308,67 11.497,68 0.446,69 1.663,70 32.507,71 10.686,72 41.27,73 15.766,74 0.383,75 1.71,76 34.052,77 11.689,78 58.652,79 17.322,80 0.341,81 1.549,82 31.631,83 10.738,84 41.09,85 15.581,86 0.378,87 1.484,88 29.769,89 9.925,90 53.603,91 14.507,92 0.3,93 1.344,94 26.786,95 8.55,96 59.4,97 12.87,98 0.277,99 1.122,100 23.837,101 7.621,102 40.733,103 11.518,104 10,105 44,106 0.244,107 0.567,108 0.718,109 0.821,110 0.838,111 0.85,112 3.44,113 0.952,114 -1.74,115 -1.81,116 -1.82,121 41.1,123 3,127 6,138 1,141 1,144 6,146 2,154 2,160 2,176 6,180 8,183 1,185 2,187 3,191 1,192 4,195 2,197 3,200 1,205 3,206 2,209 2,211 2,214 2,219 2,223 1,224 2,227 4,231 1,232 6,235 1,237 2,239 3,244 5,247 2,249 1,251 1,256 2,259 1,261 3,264 2,268 1,269 2,274 2,277 4,281 1514,282 21.016,283 21.016,284 21.016,285 21.016,286 21.016,287 19.227,288 31.374,289 12.727,290 21.357,291 16.224,292 16.224,293 16.224,294 16.224,295 16.224,296 13.338,297 45.707,298 5.912,299 16.811,300 4.317,301 2.336,302 1.411,303 0.786,304 0.679,305 0.607,306 4.14,311 1,312 1,313 847,314 3.674,317 157.448,318 196.729,321 137.025,325 2,326 22.464,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 64,338 390,339 4.548,340 4.261,341 6.853,342 4.188,343 3.244,344 4.056,345 2.689,346 11.437,347 3.064,348 4.128,349 3.869,350 5.973,351 3.772,352 2.788,353 3.735,354 1.539,355 8.309,356 2.748,357 4.084,358 3.442,359 5.719,360 3.519,361 2.535,362 3.548,363 0.916,364 8.109,365 2.491,366 3.533,367 3.06,368 5.327,369 3.406,370 2.46,371 2.607,372 0.886,373 6.946,374 2.32,375 3.373,376 2.754,377 5.176,378 2.981,379 2.028,380 2.386,381 0.657,382 5.963,383 1.934,384 3.303,385 2.546,386 4.774,387 2.885,388 1.907,389 2.237,390 0.4,391 5.347,392 1.859,393 3.135,394 2.274,395 4.458,396 2.524,397 1.556,398 2.082,399 0.172,400 4.085,401 1.505,402 3.015,403 2.177,404 3.761,405 2.43,406 1.467,407 1.761,409 3.155,410 1.409,411 2.855,412 1.69,413 3.607,414 2.327,415 1.355,416 1.548,418 2.988,419 1.314,420 2.61,421 1.664,422 3.586,423 2.197,424 1.231,425 1.42,427 2.837,428 1.185,429 2.433,430 1.464,431 3.389,432 1.984,433 1,434 1.303,436 2.136,437 0.983,438 2.231,439 1.311,440 3.267,441 1.801,442 0.834,443 1.096,445 1.995,446 0.804,447 2.125,448 1.077,449 3.247,450 1.682,451 0.703,452 1,454 1.694,455 0.688,456 2,457 0.991,458 2.897,459 1.547,460 0.618,461 0.933,463 0.791,464 0.572,465 1.697,466 0.786,467 2.694,468 1.232,469 0.274,470 0.305,472 0.649,473 0.262,474 14.233,475 0.474,476 0.478,477 0.016,478 38,479 1.267,480 18,481 0.6,482 20,483 0.667,484 25.54,485 0.851,486 31.967,487 0.571,488 27.075,489 0.902,490 7.234,491 0.241,492 7.546,493 0.252,494 0.056,496 0.267,501 0.935,502 1.419,503 0.822,504 1.142,505 0.437,506 0.993,507 1.125,508 1.174,509 0.971,510 1.063,511 0.429,512 1.001,513 1.155,514 1.029,515 1.003,516 0.96,517 0.5,518 0.971,519 0.769,520 0.939,521 0.912,522 0.997,523 0.44,524 0.977,525 1.25,526 0.957,527 0.978,528 0.949,529 0.967,530 0.944,531 1.248,532 1.033,533 1.096,534 1.037,535 1.183,536 1.057,537 1.108,538 1.083,539 1.11,540 1.09,541 1.524,542 1.097,543 1.015,544 0.875,545 0.939,546 0.898,547 1.162,548 0.9,549 4.5,550 0.129,551 2.444,552 2.271,553 1.268,554 0.719,555 0.433,556 0.266,557 0.202,558 0.115,559 13529,560 32126,561 2.128,562 46.4,563 2,564 18,567 2,569 4,572 1.724,573 2.045,574 3.615,575 0.21,577 1,582 83.449,583 1.49,584 3.471,585 4.396,586 5.022,587 5.129,588 5.2,589 2.997,590 4.374,591 4.88,592 3.853,593 1675.88,594 8.487,595 24757.5,597 1,600 325.212,601 1.159,602 4.862,603 0.136,604 0.005,605 0.056,606 0.053,607 0.031,608 0.018,609 0.012,610 0.009,611 0.008,612 0.004,613 0.333,614 0.33,615 1,616 0.848,617 157.557,618 -0.033,619 -0.215,620 0.062,621 -0.078,622 0.121,623 -0.008,624 -0.072,625 -0.06,626 -0.027,627 -0.064,628 0.021,629 -0.039,630 0.013,631 -0.039,632 -0.01,633 0.017,634 0.103,635 -0.002,636 0.136,637 0.025,638 0.072,639 -0.017,640 0.245,641 0.012,642 -0.087,643 -0.01,644 0.019,645 0.043,646 -0.053,647 0.041,648 -0.07,649 -0.062,650 -0.102,651 -0.055,652 -0.083,653 -0.084,654 -0.059,655 -0.095,656 -0.116,657 -0.136,658 -0.079,659 -0.135,660 0.021,661 0.067,662 0.068,663 0.064,664 -0.096,665 0.078,666 1.584,667 3.295,668 0.667,669 31.796,670 0.996,671 1.131,672 0.511,673 0.261,674 0.663,675 3.526,676 3.807,677 4.094,678 4.369,679 4.522,680 4.564,681 4.644,682 4.673,683 4.625,684 4.663,685 7.845,686 0.627,687 402.55,688 3.526,689 5.043,690 5.889,691 6.756,692 7.621,693 8.499,694 9.373,695 10.256,696 11.136,697 12.022,698 10.7,700 1,701 1,703 1,704 1,707 2,715 6,718 1,720 4,722 11,734 1,736 1,741 56,743 14,744 1,745 33,747 59,748 23,749 10,750 2,751 4,756 4,757 5,767 3,770 3,771 2,772 12,773 9,777 1,786 2,790 1,792 1,793 26,794 7,795 2,796 7,802 6,808 0.75,809 1,828 2,829 2,832 1,838 2,850 1,853 1,855 1,859 3,868 30,876 9,877 2,881 2,885 2,889 2,891 2,893 1.8,898 1,901 14.667,902 9.967,903 6.861,904 3.586,907 2.615,908 1.339,909 0.987,910 6.715,911 10.33,912 3.795,913 4.259,914 4.809,915 5.332,916 5.641,917 5.89,918 6.219,919 6.433,920 6.553,921 6.73,922 1,923 43,924 11.069,926 4.634,927 0.026,929 7.667,931 21.534,933 17.731,936 2.167,937 65,939 1,940 1,941 282.506,942 132.223,943 104.389,945 9.507,948 132.223,949 292.014,950 104.389,952 20.238,953 74.868,954 51.214,955 88.902,956 10.898,957 282.506,959 282.506,960 236.612,961 9.507,964 235.422,965 56.592,968 103.492,969 115.11,970 18.011,972 282.506,973 113.896,974 132.223,977 282.506,978 42.162,979 63.106,980 69.225,981 71.626,982 282.506,983 113.896,984 132.223,986 0.561,987 0.338,988 0.194,989 0.101,990 20,991 8,992 0.119,993 7,994 1,995 1.1,996 4.322,997 256.102,998 0.1,999 20,1000 139.207,1005 20.504,1006 9.825,1007 4.88,1009 113.896,1010 11.924,1013 5.983,1015 3.819,1017 36.022,1018 528.626,1019 43.5,1028 0.629,1031 55.774,1032 63.351,1034 0.257,1035 0.598,1036 0.757,1037 0.865,1038 0.883,1039 0.895,1040 5.042,1041 1.467,1042 5.838,1043 4.085,1044 4.489,1045 4.945,1046 3.185,1047 6.624,1048 4.416,1049 6.215,1050 1.355,1051 7.371,1052 3.155,1053 3.892,1054 4.511,1055 0.57,1056 7.486,1057 3.771,1058 7.499,1059 1.231,1060 9.009,1061 2.988,1062 6.043,1063 7.019,1064 4.78,1065 10.617,1066 5.891,1067 8.819,1068 1,1069 10.714,1070 2.837,1071 6.365,1072 7.523,1073 0.637,1074 12.401,1075 6.153,1076 10.175,1077 0.834,1078 12.464,1079 2.136,1080 7.903,1081 9.408,1082 6.667,1083 15.037,1084 7.661,1085 11.557,1086 0.703,1087 14.246,1088 1.995,1089 8.663,1090 10.345,1091 0.607,1092 17.203,1093 8.355,1094 12.961,1095 0.618,1096 16.053,1097 1.694,1098 9.956,1099 11.962,1100 8.619,1101 19.692,1102 9.611,1103 3.244,1104 0.274,1105 17.88,1106 0.791,1107 10.927,1108 13.111,1109 0.548,1110 22.016,1111 10.515,1112 2.788,1113 11.437,1114 19.721,1115 0.649,1116 12.125,1117 14.603,1118 10.59,1119 24.463,1120 11.667,1121 2.535,1122 8.309,1123 21.576,1124 4.056,1125 13.197,1126 15.858,1127 0.481,1128 26.852,1129 12.672,1130 2.46,1131 8.109,1132 23.441,1133 3.735,1134 14.363,1135 17.291,1136 12.566,1137 29.288,1138 13.786,1139 2.028,1140 6.946,1141 25.315,1142 3.548,1143 15.483,1144 18.601,1145 0.415,1146 31.704,1147 14.84,1148 1.907,1149 5.963,1150 27.196,1151 2.607,1152 16.642,1153 20.006,1154 14.544,1155 34.138,1156 15.941,1157 1.556,1158 5.347,1159 29.084,1160 2.386,1161 17.785,1162 21.347,1163 0.355,1164 36.566,1165 17.02,1166 12754,1167 19891,1168 22.652,1169 37.103,1170 50.755,1171 53.233,1172 49.46,1173 48.039,1174 48.002,1175 60.039,1176 14.521,1177 132.885,1178 46.277,1179 5.548,1180 6.261,1181 6.655,1182 5.247,1183 5.244,1184 7.056,1185 5.379,1186 18.757,1187 5.064,1188 10.515,1189 1.538,1190 1.613,1191 1.499,1192 1.456,1193 1.455,1194 1.819,1195 0.44,1196 4.027,1197 1.402,1198 4.026,1199 4.067,1200 3.98,1201 3.91,1202 6.856,1203 3.921,1204 3.955,1205 3.986,1206 3.899,1207 3.805,1208 6.782,1209 3.822,1210 3.794,1211 3.849,1212 3.663,1213 3.644,1214 5.039,1215 3.639,1216 3.635,1217 3.675,1218 3.598,1219 3.535,1220 4.814,1221 3.548,1222 3.522,1223 3.593,1224 3.389,1225 3.328,1226 4.306,1227 3.332,1228 3.228,1229 3.311,1230 3.091,1231 3.045,1232 4.281,1233 3.042,1234 3.111,1235 3.206,1236 2.975,1237 2.941,1238 4.149,1239 2.91,1240 3.101,1241 3.186,1242 2.915,1243 2.884,1244 3.748,1245 2.899,1246 0.138,1247 0.129,1248 0.208,1249 0.127,1250 0.098,1251 4.548,1252 0.123,1253 4.261,1254 0.081,1255 6.853,1256 0.347,1257 4.188,1258 0.093,1259 3.244,1260 4.056,1261 2.689,1262 11.437,1263 3.064,1264 1.872,1265 1.843,1266 2.055,1267 2.021,1268 1.408,1269 2.036,1270 1.832,1271 1.768,1272 1.984,1273 1.974,1274 1.161,1275 1.979,1276 1.689,1277 1.642,1278 1.86,1279 1.883,1280 1.036,1281 1.879,1282 1.596,1283 1.555,1284 1.721,1285 1.767,1286 0.936,1287 1.742,1288 1.507,1289 1.468,1290 1.663,1291 1.676,1292 0.859,1293 1.686,1294 1.365,1295 1.314,1296 1.555,1297 1.563,1298 0.825,1299 1.567,1300 1.153,1301 1.064,1302 1.513,1303 1.376,1304 0.601,1305 1.429,1306 1.033,1307 0.944,1308 1.34,1309 1.291,1310 0.532,1311 1.311,1312 4.205,1314 5.493,1315 3.045,1316 6.974,1317 5.416,1318 8.545,1319 7.526,1320 10.164,1328 9.048,1329 6.603,1333 4.432,1338 18.59,1339 3.972,1340 35.111,1341 83.449,1342 194.379,1343 246.192,1344 281.212,1345 287.212,1346 291.212,1347 47.92,1348 7.715,1349 96.71,1350 96.71,1351 22,1352 12.556,1353 3.907,1354 3.524,1355 47.336,1356 144,1357 140,1358 0.158,1359 217.309,1360 383.61,1361 521.993,1362 27794,1364 20.761,1365 0.692,1366 0.568,1367 20.761,1368 17.025,1369 14.78,1370 0.448,1371 0.317,1372 10.329,1373 14.241,1374 10.149,1375 8.393,1376 14.78,1377 10.47,1378 12.418,1379 0.282,1380 0.173,1381 12.418,1382 7.623,1383 10.738,1384 0.182,1385 0.094,1386 10.738,1387 5.535,1388 9.161,1389 0.117,1390 0.052,1391 9.161,1392 4.033,1393 6.963,1394 0.077,1395 0.03,1396 6.963,1397 2.76,1398 0.257,1399 92.259,1400 0.21,1401 28.953,1402 0.411,1403 154,1404 416.982,1405 167.921,1406 411.765,1407 565.38,1408 386,1409 180,1410 419.104,1411 195.643,1412 424.66,1413 616.39,1414 400,1415 7.137}
{0 CHEMBL155111,1 1.521,2 12.04,3 1.477,4 2.181,5 96.544,6 6.949,7 0.185,8 3.979,9 4.121,10 3.488,11 3.442,12 5.033,13 3.425,14 4.565,15 4.78,16 3.785,17 3.832,18 5.453,19 3.781,20 4.813,21 5.075,22 3.697,23 3.92,24 5.688,25 3.8,26 4.786,27 5.063,28 3.714,29 3.895,30 5.751,31 3.771,32 4.736,33 4.997,34 3.626,35 3.828,36 5.675,37 3.716,38 4.653,39 4.922,40 3.394,41 3.715,42 5.644,43 3.579,44 4.448,45 4.723,46 3.278,47 3.551,48 5.336,49 3.408,50 4.388,51 4.665,52 3.287,53 3.467,54 5.248,55 3.357,56 0.027,57 0.758,58 11.083,59 3.945,60 11.886,61 5.934,62 0.214,63 1.175,64 21.551,65 6.385,66 16.052,67 10.073,68 0.456,69 1.298,70 29.001,71 8.581,72 39.016,73 13.483,74 0.319,75 1.269,76 27.958,77 9.151,78 54.032,79 14.039,80 0.324,81 1.18,82 26.829,83 8.001,84 40.755,85 12.413,86 0.438,87 1.072,88 24.99,89 6.812,90 60.559,91 10.916,92 0.199,93 0.896,94 19.79,95 6.318,96 33.413,97 9.893,98 0.254,99 0.814,100 19.028,101 5.543,102 27.429,103 8.803,104 10,105 35,106 0.259,107 0.546,108 0.696,109 0.803,110 0.824,111 0.831,112 3.265,113 0.982,114 -0.86,115 -0.97,116 -1.08,121 36.7,123 2,127 8,138 1,141 1,144 2,154 2,160 2,176 2,180 7,183 1,185 1,191 1,192 1,195 2,197 1,205 3,206 1,209 2,211 1,219 2,223 1,224 1,227 2,231 1,232 1,235 1,239 2,244 1,247 2,256 1,259 1,261 3,264 1,268 1,274 1,277 1,281 919,282 17.447,283 17.447,284 17.447,285 17.447,286 17.447,287 16.385,288 28.212,289 10.592,290 17.809,291 13.236,292 13.236,293 13.236,294 13.236,295 13.236,296 11.394,297 37.904,298 4.865,299 13.831,300 4.094,301 2.407,302 1.531,303 0.898,304 0.776,305 0.735,306 3.948,310 1,311 1,312 1,313 641,314 3.536,317 238.476,325 1.882,326 20.844,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 54,338 301,339 4.392,340 4.259,341 6.5,342 3.96,343 3.018,344 3.798,345 2.689,346 10.151,347 2.846,348 4.129,349 3.869,350 5.72,351 3.774,352 2.791,353 3.736,354 1.539,355 8.113,356 2.749,357 3.583,358 3.209,359 5.336,360 3.422,361 2.476,362 2.619,363 0.916,364 6.968,365 2.335,366 3.548,367 3.065,368 5.201,369 3.122,370 2.166,371 2.463,372 0.886,373 6.152,374 2.064,375 3.303,376 2.762,377 4.779,378 2.906,379 1.927,380 2.247,381 0.657,382 5.362,383 1.886,384 3.139,385 2.299,386 3.999,387 2.471,388 1.524,389 1.617,390 0.4,391 3.405,392 1.439,393 2.815,394 2.222,395 3.551,396 2.145,397 1.185,398 1.303,399 0.172,400 2.665,401 1.136,402 2.473,403 1.767,404 3.423,405 2.004,406 1.072,407 1.252,409 2.449,410 0.996,411 2.262,412 1.469,413 3.37,414 1.877,415 0.928,416 1.135,418 2.13,419 0.878,420 2.132,421 1.231,422 3.265,423 1.723,424 0.729,425 1.084,427 1.734,428 0.724,429 2.102,430 1.069,431 3,432 1.591,433 0.618,434 1.016,436 1.372,437 0.6,438 1.618,439 0.813,440 2.846,441 1.547,442 0.618,443 0.618,445 0.791,446 0.572,447 1.526,448 0.744,449 2.618,450 1.267,451 0.317,452 0.337,454 0.732,455 0.3,456 1.379,457 0.52,458 2.556,459 0.709,460 -0.236,461 -0.286,463 -0.355,464 -0.221,465 0.839,466 0.046,467 2.308,468 0.64,469 -0.304,470 -0.469,472 -0.773,473 -0.287,474 11.733,475 0.469,476 0.376,477 0.015,478 28,479 1.12,480 11,481 0.44,482 17,483 0.68,484 21.394,485 0.856,486 27.867,487 0.569,488 18.659,489 0.746,490 5.421,491 0.217,492 6.875,493 0.275,494 0.068,496 0.239,501 0.952,502 1.609,503 0.858,504 1.281,505 0.423,506 1.086,507 1.213,508 1.146,509 1.022,510 1.044,511 0.43,512 0.999,513 1.153,514 0.983,515 1.067,516 0.991,517 0.501,518 1.025,519 0.624,520 0.957,521 0.817,522 1.033,523 0.424,524 0.97,525 1.313,526 1.035,527 1.033,528 1.023,529 1.096,530 1.008,531 1.466,532 0.867,533 1.274,534 0.953,535 1.806,536 1.074,537 0.716,538 1.058,539 0.993,540 1.156,541 0.832,542 1.118,543 1.081,544 0.908,545 0.899,546 0.885,547 0.79,548 0.872,549 4,550 0.097,551 2,552 1.542,553 0.695,554 0.529,555 0.234,556 0.125,557 0.15,558 0.085,559 8352,560 20660,561 2.085,562 49,564 18,567 2,569 4,572 1.672,573 2,574 3.553,575 0.312,576 1,577 1,582 74.513,583 1.521,584 3.208,585 4.084,586 4.717,587 4.839,588 4.88,589 2.953,590 4.164,591 4.618,592 3.763,593 1128.83,594 7.942,595 14866.6,597 1,599 1,600 275.121,601 1.164,602 4.597,603 0.148,604 0.006,605 0.057,606 0.051,607 0.022,608 0.019,609 0.011,610 0.007,611 0.007,612 0.004,613 0.333,614 0.33,615 1,616 0.955,617 124.787,618 -0.042,619 -0.315,620 0.062,621 -0.134,622 0.134,623 -0.035,624 -0.13,625 -0.006,626 -0.049,627 -0.033,628 0.015,629 -0.022,630 -0.015,631 -0.018,632 -0.075,633 -0.012,634 0.098,635 -0.052,636 0.213,637 -0.016,638 0.149,639 -0.03,640 0.284,641 0.035,642 -0.114,643 -0.092,644 -0.036,645 -0.038,646 -0.132,647 -0.032,648 -0.216,649 0.1,650 -0.265,651 -0.019,652 -0.336,653 -0.134,654 0.075,655 -0.1,656 -0.034,657 -0.158,658 0.017,659 -0.118,660 0.02,661 0.012,662 0.099,663 0.083,664 -0.029,665 0.102,666 1.518,667 3,668 0.6,669 24.371,670 0.998,671 1.142,672 -0.366,673 0.134,674 0.64,675 3.332,676 3.584,677 3.829,678 4.043,679 3.951,680 3.97,681 4.007,682 3.989,683 4.043,684 4.094,685 7.341,686 0.604,687 340.48,688 3.332,689 4.828,690 5.652,691 6.497,692 7.334,693 8.182,694 9.023,695 9.873,696 10.716,697 11.566,698 12.2,700 2,701 2,707 2,715 2,718 1,720 2,722 5,741 49,743 8,745 27,747 51,748 18,749 4,756 3,757 3,767 2,770 2,771 2,772 6,773 10,777 1,786 2,789 1,790 1,792 1,793 24,794 7,795 2,796 7,802 6,808 1,809 1,825 1,828 3,838 2,850 1,853 2,855 2,859 3,868 25,876 10,877 2,881 2,885 2,889 2,891 2,893 2,898 1,901 12.5,902 8.633,903 5.806,904 3.136,907 1.573,908 1.228,909 0.959,910 6.358,911 8.47,912 3.57,913 3.956,914 4.453,915 4.891,916 4.884,917 4.954,918 5.063,919 5.062,920 5.182,921 5.412,922 0.875,923 30,924 9.225,926 3.794,927 0.026,929 7.707,931 17.973,933 14.592,936 2.207,937 55.167,941 258.964,942 90.482,943 104.389,945 9.507,948 90.482,949 268.472,950 104.389,952 21.915,953 54.974,954 33.203,955 83.388,956 10.898,957 258.964,959 258.964,960 194.871,961 9.507,964 211.88,965 56.592,968 126.304,969 68.567,972 258.964,973 113.896,974 90.482,977 258.964,978 38.326,979 25.201,980 69.225,981 71.626,982 258.964,983 113.896,984 90.482,986 0.556,987 0.334,988 0.186,989 0.077,990 15,991 6,992 0.137,993 7,995 1,996 3.935,997 187.539,999 15,1000 108.096,1005 17.824,1006 8.918,1007 4.765,1009 113.896,1010 4.095,1013 5.886,1015 1.972,1017 36.022,1018 463.342,1019 34.5,1028 0.799,1031 48.891,1032 55.936,1034 0.271,1035 0.571,1036 0.727,1037 0.84,1038 0.862,1039 0.869,1040 4.814,1041 1.072,1042 5.587,1043 2.665,1044 4.263,1045 4.64,1046 3.185,1047 6.326,1048 4.177,1049 5.966,1050 0.928,1051 7.094,1052 2.449,1053 3.611,1054 4.159,1055 0.57,1056 7.096,1057 3.485,1058 7.236,1059 0.729,1060 8.702,1061 2.13,1062 5.778,1063 6.634,1064 4.78,1065 10.169,1066 5.608,1067 8.541,1068 0.618,1069 10.374,1070 1.734,1071 6.066,1072 7.139,1073 0.637,1074 11.842,1075 5.85,1076 9.882,1077 0.618,1078 12.088,1079 1.372,1080 7.572,1081 8.96,1082 6.667,1083 14.386,1084 7.315,1085 11.247,1086 0.317,1087 13.832,1088 0.791,1089 8.281,1090 9.898,1091 0.607,1092 16.422,1093 7.977,1094 12.63,1095 -0.236,1096 15.599,1097 0.732,1098 9.53,1099 11.453,1100 8.619,1101 18.804,1102 9.183,1103 3.018,1104 -0.304,1105 17.382,1106 -0.355,1107 10.435,1108 12.593,1109 0.548,1110 20.994,1111 10.04,1112 2.791,1113 10.151,1114 19.179,1115 -0.773,1116 11.58,1117 14.03,1118 10.59,1119 23.325,1120 11.141,1121 2.476,1122 8.113,1123 20.987,1124 3.798,1125 12.578,1126 15.266,1127 0.481,1128 25.582,1129 12.088,1130 2.166,1131 6.968,1132 22.803,1133 3.736,1134 13.683,1135 16.647,1136 12.566,1137 27.898,1138 13.146,1139 1.927,1140 6.152,1141 24.628,1142 2.619,1143 14.725,1144 17.93,1145 0.415,1146 30.185,1147 14.136,1148 1.524,1149 5.362,1150 26.459,1151 2.463,1152 15.815,1153 19.284,1154 14.544,1155 32.498,1156 15.177,1157 1.185,1158 3.405,1159 28.295,1160 2.247,1161 16.88,1162 20.589,1163 0.355,1164 34.8,1165 16.189,1166 8060,1167 12828,1168 18.375,1169 31.341,1170 41.022,1171 43.247,1172 39.808,1173 38.774,1174 38.739,1175 46.451,1176 14.521,1177 104.05,1178 37.054,1179 5.361,1180 6.059,1181 6.189,1182 5.018,1183 5.018,1184 6.553,1185 5.379,1186 16.833,1187 4.785,1188 9.491,1189 1.519,1190 1.602,1191 1.474,1192 1.436,1193 1.435,1194 1.72,1195 0.538,1196 3.854,1197 1.372,1198 3.983,1199 4.02,1200 3.918,1201 3.819,1202 6.856,1203 3.838,1204 3.881,1205 3.94,1206 3.826,1207 3.712,1208 6.782,1209 3.734,1210 3.784,1211 3.838,1212 3.659,1213 3.626,1214 5.039,1215 3.624,1216 3.521,1217 3.591,1218 3.425,1219 3.343,1220 4.512,1221 3.353,1222 3.398,1223 3.468,1224 3.272,1225 3.206,1226 4.309,1227 3.209,1228 3.133,1229 3.221,1230 2.944,1231 2.963,1232 4.179,1233 2.947,1234 2.929,1235 3.035,1236 2.915,1237 2.695,1238 3.632,1239 2.713,1240 2.912,1241 2.981,1242 2.718,1243 2.671,1244 3.622,1245 2.685,1246 0.163,1247 0.158,1248 0.241,1249 0.147,1250 0.112,1251 4.392,1252 0.141,1253 4.259,1254 0.1,1255 6.5,1256 0.376,1257 3.96,1258 0.105,1259 3.018,1260 3.798,1261 2.689,1262 10.151,1263 2.846,1264 1.705,1265 1.654,1266 1.89,1267 1.918,1268 1.211,1269 1.913,1270 1.633,1271 1.583,1272 1.86,1273 1.845,1274 1.173,1275 1.838,1276 1.594,1277 1.552,1278 1.818,1279 1.773,1280 1.099,1281 1.793,1282 1.577,1283 1.507,1284 1.744,1285 1.751,1286 1.001,1287 1.753,1288 1.502,1289 1.435,1290 1.693,1291 1.721,1292 0.869,1293 1.733,1294 1.342,1295 1.268,1296 1.567,1297 1.529,1298 0.728,1299 1.549,1300 1.244,1301 1.189,1302 1.483,1303 1.487,1304 0.614,1305 1.483,1306 0.919,1307 0.829,1308 1.218,1309 1.238,1310 0.363,1311 1.219,1312 4.007,1314 5.273,1315 3.434,1316 6.706,1317 5.638,1318 8.218,1319 7.573,1320 9.777,1328 9.58,1329 6.48,1333 4.46,1338 18.001,1339 3.894,1340 29.584,1341 74.513,1342 157.172,1343 200.101,1344 231.121,1345 237.121,1346 239.121,1347 40.97,1348 6.897,1349 91.26,1350 91.26,1351 15,1352 12.125,1353 3.17,1354 3.087,1355 42.191,1356 113,1357 88,1358 0.181,1359 185.523,1360 328.29,1361 444.435,1362 9809,1364 17.485,1365 0.699,1366 0.577,1367 17.485,1368 14.423,1369 12.296,1370 0.455,1371 0.327,1372 8.692,1373 11.743,1374 8.55,1375 7.048,1376 12.296,1377 8.839,1378 10.147,1379 0.29,1380 0.183,1381 10.147,1382 6.389,1383 8.601,1384 0.191,1385 0.102,1386 8.601,1387 4.604,1388 7.15,1389 0.128,1390 0.059,1391 7.15,1392 3.323,1393 4.337,1394 0.085,1395 0.034,1396 4.337,1397 1.743,1398 0.296,1399 77.443,1400 0.233,1401 25.104,1402 0.461,1403 124,1404 352.982,1405 137.255,1406 344.085,1407 463.08,1408 322,1409 142,1410 332.836,1411 156.644,1412 335.63,1413 482.7,1414 315,1415 7.097}
{0 CHEMBL155121,1 1.139,2 7.833,3 3.981,4 15.848,5 77.741,6 6.138,7 0.55,8 3.72,9 3.855,10 3.147,11 3.328,12 4.594,13 3.251,14 4.306,15 4.51,16 3.466,17 3.747,18 5.075,19 3.637,20 4.61,21 4.856,22 3.484,23 3.918,24 5.298,25 3.754,26 4.694,27 4.991,28 3.287,29 3.838,30 5.31,31 3.626,32 4.528,33 4.839,34 3.151,35 3.651,36 5.141,37 3.453,38 4.28,39 4.542,40 3.038,41 3.545,42 4.95,43 3.361,44 4.281,45 4.564,46 2.869,47 3.486,48 4.909,49 3.268,50 4.12,51 4.42,52 2.499,53 3.248,54 4.724,55 2.993,56 0.046,57 0.524,58 9.409,59 4.024,60 6.283,61 5.777,62 0.104,63 0.914,64 16.934,65 6.743,66 10.511,67 9.874,68 0.12,69 1.174,70 22.498,71 9.419,72 13.891,73 13.63,74 0.127,75 1.216,76 24.076,77 10.056,78 16.421,79 14.591,80 0.122,81 1.029,82 20.416,83 8.172,84 14.718,85 11.993,86 0.083,87 0.823,88 15.987,89 6.796,90 10.581,91 9.797,92 0.07,93 0.793,94 15.749,95 7.008,96 10.614,97 9.992,98 0.056,99 0.657,100 13.256,101 5.955,102 9.811,103 8.478,104 2,105 27,106 0.206,107 0.498,108 0.695,109 0.768,110 0.812,111 0.83,112 2.961,113 1.053,114 -5.06,115 -4.96,116 -4.65,121 43.6,122 1,123 2,124 1,127 3,144 7,145 3,176 14,180 3,187 17,192 3,200 12,206 4,214 8,219 3,227 7,232 1,239 9,251 11,264 8,277 4,281 356,282 12.43,283 12.43,284 12.43,285 12.43,286 12.43,287 11.144,288 10.227,289 7.497,290 12.538,291 9.898,292 9.898,293 9.898,294 9.898,295 9.898,296 8.028,297 13.229,298 3.585,299 10.069,300 4.147,301 2.528,302 1.434,303 1.032,304 0.789,305 0.686,306 3.646,310 1,311 1,312 1,313 308,314 1.871,318 130.465,322 68.757,325 1.093,326 4.706,328 1,329 1,330 1,331 1,332 0.7,333 0.5,334 1,335 1,336 0.89,337 36.5,338 141,339 4.497,340 3.178,341 6.515,342 4.041,343 3.046,344 4.431,345 0.916,346 10.241,347 3.034,348 3.674,349 2.809,350 5.495,351 3.564,352 2.605,353 2.947,354 0.172,355 7.359,356 2.505,357 3.434,358 2.289,359 5.128,360 3.177,361 2.19,362 2.549,364 6.155,365 2.16,366 3.118,367 2.017,368 4.832,369 2.847,370 1.878,371 2.427,373 5.416,374 1.81,375 3.019,376 1.618,377 4.139,378 2.618,379 1.618,380 2.044,382 3.765,383 1.618,384 2.765,385 1.277,386 3.592,387 2.27,388 1.27,389 1.894,391 2.828,392 1.27,393 2.336,394 1.077,395 3.414,396 1.984,397 1,398 1.269,400 2.275,401 0.983,402 2,403 1.011,404 3.338,405 1.905,406 0.908,407 1,409 2.122,410 0.905,411 1.378,412 0.341,413 2.855,414 1.175,415 0.196,416 0.22,418 0.468,419 0.192,420 0.943,421 -0.189,422 2.336,423 0.696,424 -0.297,425 -0.348,427 -0.686,428 -0.295,429 0.882,430 -0.618,431 2,432 0.382,433 -0.618,434 -0.927,436 -1.478,437 -0.618,438 0.55,439 -0.686,440 2,441 0.21,442 -0.774,443 -0.967,445 -1.945,446 -0.759,447 0.234,448 -0.784,449 2,450 -0.049,451 -1,452 -1,454 -2.653,455 -0.946,457 -1.004,458 1.714,459 -0.093,460 -1.079,461 -1.354,463 -3,464 -1.063,465 -0.109,466 -1.336,467 1.266,468 -0.408,469 -1.405,470 -1.609,472 -3.437,473 -1.4,474 8.9,475 0.494,476 0.346,477 0.019,478 20.75,479 1.153,480 10,481 0.556,482 10.75,483 0.597,484 14.784,485 0.821,486 19.3,487 0.495,488 11.244,489 0.625,490 3.763,491 0.209,492 5.064,493 0.281,494 0.056,496 0.27,501 1.011,502 1.234,503 0.986,504 1.09,505 0.979,506 1.046,507 1.785,508 1.025,509 1.085,510 0.971,511 0.948,512 0.993,513 1.213,514 1.095,515 1.099,516 1.083,517 0.861,518 1.086,519 0.936,520 1.034,521 0.965,522 0.998,523 0.813,524 0.986,525 1.272,526 0.848,527 0.87,528 0.81,529 0.951,530 0.821,531 1.123,532 1.04,533 1.104,534 1.074,535 1.221,536 1.085,537 0.675,538 0.995,539 1.043,540 1.068,541 1.152,542 1.071,543 0.526,544 1.042,545 1.061,546 1.12,547 1.203,548 1.114,549 3,550 0.012,551 1.778,552 0.813,553 0.818,554 0.271,555 0.181,556 0.163,557 0.119,558 0.046,559 2888,560 4733,561 2.154,562 53.8,563 4,564 13,569 4,572 1.586,573 2.077,574 2.979,575 -0.927,577 1,582 44.405,583 1.139,584 2.757,585 3.852,586 4.253,587 4.497,588 4.599,589 2.414,590 3.461,591 4.145,592 3.057,593 467.745,594 7.029,595 4350.92,597 1,599 1,600 206.131,601 1.135,602 4.128,603 0.15,604 0.012,605 0.066,606 0.031,607 0.041,608 0.015,609 0.011,610 0.013,611 0.015,612 0.011,613 0.365,614 0.83,615 1,616 0.463,617 75.84,618 0.143,619 -0.089,620 0.073,621 -0.006,622 0.089,623 0.024,624 -0.174,625 0.09,626 -0.039,627 0.034,628 0.027,629 0.009,630 -0.095,631 -0.075,632 -0.103,633 -0.092,634 0.034,635 -0.097,636 0.054,637 -0.083,639 -0.043,640 0.095,641 -0.027,642 0.01,643 0.117,644 0.105,645 0.122,646 0.038,647 0.118,648 -0.136,649 -0.048,650 -0.123,651 -0.089,652 -0.231,653 -0.103,654 -0.067,655 -0.059,656 -0.093,657 -0.082,658 -0.176,659 -0.087,660 -0.038,661 -0.14,662 -0.128,663 -0.144,664 -0.181,665 -0.141,666 0.422,667 0.599,668 0.889,669 10.444,670 0.973,671 1.119,672 3.834,673 14.697,674 0.657,675 3.045,676 3.332,677 3.584,678 3.829,679 4.078,680 3.989,681 4.06,682 4.159,683 4.205,684 4.007,685 4.631,686 0.597,687 239.39,688 3.045,689 4.554,690 5.389,691 6.248,692 7.101,693 7.965,694 8.824,695 9.689,696 10.551,697 11.418,698 2.6,701 1,714 2,715 7,720 1,722 11,741 39,743 11,744 2,745 20,747 41,748 17,749 10,750 3,751 7,756 3,757 4,763 1,767 2,768 1,770 2,772 10,773 7,774 1,790 1,793 21,794 1,796 1,802 1,808 0.667,829 3,833 1,855 1,859 2,864 1,868 18,876 5,880 1,881 1,901 8.667,902 7.117,903 3.972,904 2.606,907 2.342,908 1.36,909 0.993,910 3.334,911 8.852,912 3.277,913 3.839,914 4.425,915 5.015,916 5.582,917 5.764,918 6.116,919 6.451,920 6.763,921 6.347,922 1,923 26,924 6.689,926 2.778,927 0.026,929 7.269,931 13.636,933 11.615,936 1.769,937 31.833,938 0.006,941 247.193,942 94.877,943 3.124,948 94.877,949 247.193,950 3.124,951 8.825,952 11.386,953 66.334,955 11.456,957 247.193,959 247.193,960 98.001,964 200.109,965 47.084,968 23.336,969 74.665,972 247.193,973 3.124,974 94.877,977 247.193,978 19.718,979 78.283,982 247.193,983 3.124,984 94.877,986 0.572,987 0.33,988 0.181,989 0.105,990 14,991 5,992 0.049,993 2,994 1,995 1.125,996 3.13,997 129.235,998 0.125,999 16,1000 69.059,1005 11.736,1006 5.113,1007 2.592,1008 2.777,1009 3.124,1010 15.384,1015 1.475,1018 345.194,1019 25.5,1031 37.938,1032 43.65,1034 0.215,1035 0.522,1036 0.729,1037 0.805,1038 0.851,1039 0.87,1040 4.486,1041 0.908,1042 5.342,1043 2.275,1044 4.007,1045 4.522,1046 0.918,1047 6.103,1048 3.975,1049 5.649,1050 0.196,1051 6.862,1052 2.122,1053 3.434,1054 4.205,1055 0.325,1056 6.899,1057 3.38,1058 6.927,1059 -0.297,1060 8.482,1061 0.468,1062 5.541,1063 6.71,1064 0.671,1065 9.995,1066 5.479,1067 8.243,1068 -0.618,1069 10.166,1070 -0.686,1071 5.802,1072 7.325,1073 0.393,1074 11.676,1075 5.728,1076 9.597,1077 -0.774,1078 11.891,1079 -1.478,1080 7.353,1081 9.277,1082 0.533,1083 14.274,1084 7.27,1085 10.981,1086 -1,1087 13.647,1088 -1.945,1089 8.033,1090 10.361,1091 0.384,1092 16.328,1093 7.948,1094 12.389,1095 -1.079,1096 15.426,1097 -2.653,1098 9.331,1099 12.06,1100 0.438,1101 18.753,1102 9.239,1103 3.046,1104 -1.405,1105 17.223,1106 -3,1107 10.226,1108 13.367,1109 0.351,1110 20.966,1111 10.136,1112 2.605,1113 10.241,1114 19.034,1115 -3.437,1116 11.41,1117 14.952,1118 0.366,1119 23.329,1120 11.314,1121 2.19,1122 7.359,1123 20.856,1124 4.431,1125 12.412,1126 16.36,1127 0.312,1128 25.607,1129 12.319,1130 1.878,1131 6.155,1132 22.687,1133 2.947,1134 13.547,1135 17.891,1136 0.309,1137 27.947,1138 13.451,1139 1.618,1140 5.416,1141 24.527,1142 2.549,1143 14.602,1144 19.344,1145 0.273,1146 30.252,1147 14.508,1148 1.27,1149 3.765,1150 26.372,1151 2.427,1152 15.717,1153 20.852,1154 0.262,1155 32.584,1156 15.622,1157 1,1158 2.828,1159 28.222,1160 2.044,1161 16.798,1162 22.325,1163 0.236,1164 34.901,1165 16.704,1166 2787,1167 3640,1168 13.811,1169 25.62,1170 29.493,1171 29.544,1172 30.019,1173 29.432,1174 29.423,1175 37.56,1176 2.178,1177 81.259,1178 28.95,1179 5.497,1180 5.178,1181 6.204,1182 5.076,1183 5.046,1184 7.431,1185 1.605,1186 17.075,1187 5.034,1188 5.234,1189 1.475,1190 1.477,1191 1.501,1192 1.472,1193 1.471,1194 1.878,1195 0.109,1196 4.063,1197 1.448,1198 4.097,1199 4.121,1200 4.046,1201 4.056,1202 4.897,1203 4.051,1204 3.856,1205 3.918,1206 3.726,1207 3.723,1208 4.379,1209 3.714,1210 3.495,1211 3.545,1212 3.385,1213 3.412,1214 4.299,1215 3.4,1216 3.314,1217 3.391,1218 3.16,1219 3.154,1220 3.943,1221 3.147,1222 3.111,1223 3.206,1224 2.898,1225 2.941,1226 3.75,1227 2.91,1228 3.063,1229 3.136,1230 2.866,1231 2.926,1232 3.474,1233 2.909,1234 2.792,1235 2.888,1236 2.555,1237 2.615,1238 3.419,1239 2.589,1240 2.662,1241 2.721,1242 2.52,1243 2.565,1244 3.373,1245 2.547,1246 0.225,1247 0.159,1248 0.326,1249 0.202,1250 0.152,1251 4.497,1252 0.222,1253 3.178,1254 0.046,1255 6.515,1256 0.512,1257 4.041,1258 0.152,1259 3.046,1260 4.431,1261 0.916,1262 10.241,1263 3.034,1264 2.083,1265 2.064,1266 2.171,1267 2.143,1268 1.446,1269 2.154,1270 1.848,1271 1.789,1272 2.064,1273 2.011,1274 1.312,1275 2.032,1276 1.511,1277 1.468,1278 1.707,1279 1.642,1280 0.886,1281 1.668,1282 1.314,1283 1.241,1284 1.597,1285 1.519,1286 0.825,1287 1.55,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.699,1293 1.429,1294 1.093,1295 1.021,1296 1.403,1297 1.279,1298 0.558,1299 1.327,1300 0.825,1301 0.735,1302 1.162,1303 1.05,1304 0.285,1305 1.094,1306 0.687,1307 0.633,1308 1.014,1309 0.854,1310 0.189,1311 0.915,1312 3.714,1314 5.004,1316 6.509,1318 8.109,1320 9.756,1322 2.37,1328 6.318,1332 0.911,1333 2.599,1340 23.289,1341 44.405,1342 107.525,1343 150.215,1344 165.866,1345 175.376,1346 179.376,1347 18.552,1348 6.51,1349 3.24,1350 3.24,1351 18,1352 11.965,1353 3.585,1354 2.7,1355 25.739,1356 49,1357 52,1358 0.26,1359 143.817,1360 241.58,1361 342.674,1362 5211,1364 12.372,1365 0.687,1366 0.617,1367 12.372,1368 11.102,1369 8.826,1370 0.441,1371 0.351,1372 6.986,1373 8.723,1374 6.76,1375 5.644,1376 8.826,1377 7.017,1378 7.761,1379 0.287,1380 0.207,1381 7.761,1382 5.597,1383 6.495,1384 0.186,1385 0.119,1386 6.495,1387 4.15,1388 5.357,1389 0.119,1390 0.064,1391 5.357,1392 2.891,1393 4.641,1394 0.08,1395 0.039,1396 4.641,1397 2.269,1398 0.396,1399 53.571,1400 0.269,1401 17.978,1402 0.741,1403 94,1404 169.645,1405 96.082,1406 174.391,1407 249.45,1408 166,1409 109,1410 188.113,1411 111.664,1412 196.945,1413 286.97,1414 186,1415 6.658}
{0 CHEMBL155128,1 1.139,2 8.5,3 3.981,4 15.848,5 77.741,6 6.138,7 0.55,8 3.72,9 3.855,10 3.147,11 3.328,12 4.593,13 3.251,14 4.306,15 4.51,16 3.466,17 3.747,18 5.078,19 3.637,20 4.61,21 4.855,22 3.457,23 3.91,24 5.308,25 3.741,26 4.692,27 5,28 3.2,29 3.8,30 5.287,31 3.575,32 4.46,33 4.778,34 3.037,35 3.57,36 5.049,37 3.362,38 4.181,39 4.444,40 2.926,41 3.431,42 4.846,43 3.241,44 4.174,45 4.468,46 2.836,47 3.362,48 4.791,49 3.164,50 3.986,51 4.247,52 2.636,53 3.24,54 4.662,55 3.031,56 0.046,57 0.524,58 9.409,59 4.024,60 6.172,61 5.777,62 0.104,63 0.914,64 16.934,65 6.743,66 10.538,67 9.874,68 0.12,69 1.173,70 22.494,71 9.414,72 14.848,73 13.625,74 0.128,75 1.199,76 23.926,77 9.976,78 16.425,79 14.483,80 0.108,81 0.948,82 18.95,83 7.75,84 13.077,85 11.309,86 0.071,87 0.741,88 14.43,89 6.17,90 9.762,91 8.888,92 0.073,93 0.717,94 14.205,95 6.039,96 9.511,97 8.715,98 0.053,99 0.599,100 11.747,101 5.229,102 8.616,103 7.45,104 2,105 27,106 0.206,107 0.498,108 0.699,109 0.781,110 0.803,111 0.821,112 2.96,113 1.052,114 -5.06,115 -4.96,116 -4.65,121 43.6,122 1,123 2,124 1,127 3,144 7,145 3,176 14,180 3,187 17,192 3,200 12,206 3,214 8,219 2,227 7,232 2,239 7,244 1,251 8,264 8,277 6,281 348,282 12.378,283 12.378,284 12.378,285 12.378,286 12.378,287 11.111,288 10.227,289 7.449,290 12.485,291 9.904,292 9.904,293 9.904,294 9.904,295 9.904,296 8.043,297 13.229,298 3.595,299 10.076,300 4.147,301 2.528,302 1.414,303 0.962,304 0.84,305 0.737,306 3.646,310 1,311 1,312 1,313 335,314 1.871,318 137.698,322 72.308,325 1.278,326 4.869,328 1,329 1,330 1,331 1,332 0.7,333 0.5,334 1,335 1,336 0.89,337 36.5,338 153,339 4.408,340 3.067,341 6.186,342 3.931,343 2.934,344 4.336,345 0.916,346 9.242,347 2.926,348 3.759,349 2.832,350 5.561,351 3.598,352 2.641,353 3.09,354 0.172,355 7.602,356 2.533,357 3.479,358 2.394,359 5.129,360 3.278,361 2.282,362 2.55,364 6.328,365 2.273,366 3.118,367 2.066,368 4.799,369 2.87,370 1.91,371 2.427,373 5.414,374 1.825,375 3.024,376 1.618,377 4.409,378 2.618,379 1.618,380 2.122,382 4.355,383 1.618,384 2.868,385 1.417,386 3.616,387 2.398,388 1.399,389 1.974,391 3.002,392 1.397,393 2.185,394 1.077,395 3.414,396 1.984,397 1,398 1.036,400 2.275,401 0.983,402 2,403 0.753,404 3.188,405 1.707,406 0.708,407 1,409 1.637,410 0.707,411 1.369,412 0.38,413 2.938,414 1.189,415 0.212,416 0.232,418 0.518,419 0.206,420 0.942,421 -0.199,422 2.304,423 0.684,424 -0.31,425 -0.363,427 -0.719,428 -0.308,429 0.882,430 -0.618,431 2,432 0.382,433 -0.618,434 -0.927,436 -1.593,437 -0.618,438 0.47,439 -0.689,440 2,441 0.189,442 -0.79,443 -0.967,445 -2.005,446 -0.771,447 0.315,448 -0.784,449 2,450 -0.049,451 -1,452 -1,454 -2.919,455 -0.946,457 -1.07,458 1.677,459 -0.108,460 -1.104,461 -1.402,463 -3,464 -1.099,465 -0.097,466 -1.244,467 1.267,468 -0.352,469 -1.349,470 -1.647,472 -3.336,473 -1.345,474 8.9,475 0.494,476 0.362,477 0.02,478 20.75,479 1.153,480 10,481 0.556,482 10.75,483 0.597,484 14.596,485 0.811,486 19.3,487 0.495,488 11.128,489 0.618,490 3.747,491 0.208,492 5.063,493 0.281,494 0.056,496 0.27,501 1.011,502 1.234,503 0.986,504 1.09,505 0.994,506 1.046,507 1.785,508 1.025,509 1.085,510 0.971,511 0.91,512 0.993,513 1.231,514 1.132,515 1.136,516 1.122,517 0.921,518 1.124,519 0.973,520 0.972,521 0.954,522 0.959,523 0.849,524 0.957,525 1.099,526 0.798,527 0.835,528 0.786,529 0.92,530 0.796,531 0.924,532 1.137,533 1.083,534 1.127,535 1.185,536 1.114,537 0.917,538 0.894,539 0.925,540 0.912,541 0.925,542 0.917,543 0.798,544 1.115,545 1.176,546 1.197,547 1.4,548 1.202,549 3.5,550 0.025,551 1.556,552 0.688,553 0.858,554 0.208,555 0.302,556 0.13,557 0.074,558 0.078,559 3068,560 5013,561 2.154,562 53.8,563 4,564 13,569 4,572 1.581,573 2.077,574 3.101,575 -0.927,577 1,582 44.405,583 1.139,584 2.757,585 3.871,586 4.324,587 4.446,588 4.548,589 2.53,590 3.684,591 4.144,592 3.173,593 485.512,594 7.005,595 4560.46,597 1,599 1,600 206.131,601 1.135,602 4.128,603 0.175,604 0.008,605 0.058,606 0.027,607 0.048,608 0.013,609 0.022,610 0.01,611 0.007,612 0.013,613 0.381,614 0.83,615 1,616 0.463,617 76.738,618 0.143,619 -0.089,620 0.073,621 -0.006,622 0.073,623 0.024,624 -0.174,625 0.09,626 -0.039,627 0.034,628 0.066,629 0.009,630 -0.114,631 -0.112,632 -0.141,633 -0.132,634 0.016,635 -0.136,636 0.018,637 -0.032,638 0.005,639 -0.013,640 0.065,641 -0.006,642 0.027,643 0.147,644 0.13,645 0.15,646 0.038,647 0.145,648 -0.022,649 -0.158,650 -0.109,651 -0.141,652 -0.2,653 -0.131,654 -0.007,655 0.058,656 0.039,657 0.053,658 0.009,659 0.049,660 -0.151,661 -0.155,662 -0.217,663 -0.198,664 -0.33,665 -0.208,666 0.419,667 0.587,668 0.889,669 11.704,670 0.973,671 1.119,672 3.834,673 14.697,674 0.657,675 3.045,676 3.332,677 3.555,678 3.784,679 4.043,680 3.951,681 4.043,682 4.143,683 4.19,684 4.094,685 4.937,686 0.597,687 239.39,688 3.045,689 4.554,690 5.38,691 6.232,692 7.074,693 7.929,694 8.777,695 9.633,696 10.484,697 11.34,698 2.6,701 1,714 2,715 7,720 1,722 11,741 39,743 11,744 2,745 20,747 41,748 17,749 10,750 3,751 7,756 3,757 4,763 1,767 2,768 1,770 2,772 10,773 7,774 1,790 1,793 21,794 1,796 1,802 1,808 0.667,829 3,833 1,855 1,859 2,864 1,868 18,876 5,880 1,881 1,901 8.667,902 7.117,903 3.944,904 2.599,907 2.313,908 1.355,909 0.993,910 3.334,911 8.823,912 3.277,913 3.839,914 4.398,915 4.977,916 5.572,917 5.769,918 6.13,919 6.492,920 6.791,921 6.389,922 0.833,923 25,924 6.69,926 2.779,927 0.026,929 7.269,931 13.636,933 11.611,936 1.769,937 31.833,938 0.006,941 247.193,942 94.877,943 3.124,948 94.877,949 247.193,950 3.124,951 8.825,952 11.386,953 66.334,955 11.456,957 247.193,959 247.193,960 98.001,964 200.109,965 47.084,968 23.336,969 74.665,972 247.193,973 3.124,974 94.877,977 247.193,978 19.718,979 78.283,982 247.193,983 3.124,984 94.877,986 0.575,987 0.324,988 0.172,989 0.101,990 14,991 5,992 0.049,993 2,994 1,995 1.125,996 3.179,997 127.041,998 0.125,999 16,1000 71.059,1005 11.736,1006 5.113,1007 2.753,1008 2.703,1009 3.124,1010 15.479,1015 1.447,1018 345.194,1019 25.5,1031 37.938,1032 43.65,1034 0.215,1035 0.522,1036 0.732,1037 0.818,1038 0.841,1039 0.861,1040 4.486,1041 0.708,1042 5.333,1043 2.275,1044 4.007,1045 4.522,1046 0.918,1047 6.066,1048 3.975,1049 5.649,1050 0.212,1051 6.836,1052 1.637,1053 3.434,1054 4.205,1055 0.325,1056 6.763,1057 3.38,1058 6.923,1059 -0.31,1060 8.433,1061 0.518,1062 5.525,1063 6.693,1064 0.671,1065 9.817,1066 5.462,1067 8.23,1068 -0.618,1069 10.084,1070 -0.719,1071 5.74,1072 7.256,1073 0.393,1074 11.332,1075 5.661,1076 9.571,1077 -0.79,1078 11.769,1079 -1.593,1080 7.29,1081 9.212,1082 0.533,1083 13.873,1084 7.201,1085 10.937,1086 -1,1087 13.48,1088 -2.005,1089 7.902,1090 10.23,1091 0.384,1092 15.757,1093 7.806,1094 12.324,1095 -1.104,1096 15.208,1097 -2.919,1098 9.196,1099 11.933,1100 0.438,1101 18.101,1102 9.091,1103 2.934,1104 -1.349,1105 16.951,1106 -3,1107 10.021,1108 13.185,1109 0.351,1110 20.16,1111 9.914,1112 2.641,1113 9.242,1114 18.705,1115 -3.336,1116 11.19,1117 14.764,1118 0.366,1119 22.425,1120 11.075,1121 2.282,1122 7.602,1123 20.469,1124 4.336,1125 12.128,1126 16.129,1127 0.312,1128 24.567,1129 12.013,1130 1.91,1131 6.328,1132 22.24,1133 3.09,1134 13.237,1135 17.649,1136 0.309,1137 26.802,1138 13.118,1139 1.618,1140 5.414,1141 24.018,1142 2.55,1143 14.234,1144 19.067,1145 0.273,1146 28.983,1147 14.116,1148 1.399,1149 4.355,1150 25.801,1151 2.427,1152 15.316,1153 20.56,1154 0.262,1155 31.207,1156 15.196,1157 1,1158 3.002,1159 27.59,1160 2.122,1161 16.346,1162 22.004,1163 0.236,1164 33.408,1165 16.226,1166 2938,1167 3831,1168 13.811,1169 25.62,1170 29.468,1171 29.517,1172 29.879,1173 29.417,1174 29.409,1175 37.536,1176 2.178,1177 80.747,1178 28.936,1179 5.408,1180 5.067,1181 5.873,1182 4.966,1183 4.934,1184 7.336,1185 1.605,1186 15.561,1187 4.926,1188 5.274,1189 1.473,1190 1.476,1191 1.494,1192 1.471,1193 1.47,1194 1.877,1195 0.109,1196 4.037,1197 1.447,1198 4.091,1199 4.116,1200 4.039,1201 4.05,1202 4.9,1203 4.045,1204 3.863,1205 3.925,1206 3.735,1207 3.729,1208 4.397,1209 3.721,1210 3.529,1211 3.579,1212 3.421,1213 3.446,1214 4.266,1215 3.435,1216 3.256,1217 3.34,1218 3.088,1219 3.077,1220 3.899,1221 3.069,1222 3.111,1223 3.206,1224 2.917,1225 2.947,1226 3.809,1227 2.933,1228 3.05,1229 3.11,1230 2.866,1231 2.941,1232 3.474,1233 2.91,1234 2.87,1235 2.962,1236 2.656,1237 2.717,1238 3.45,1239 2.692,1240 2.594,1241 2.681,1242 2.391,1243 2.443,1244 3.314,1245 2.42,1246 0.22,1247 0.153,1248 0.309,1249 0.197,1250 0.147,1251 4.408,1252 0.217,1253 3.067,1254 0.046,1255 6.186,1256 0.462,1257 3.931,1258 0.146,1259 2.934,1260 4.336,1261 0.916,1262 9.242,1263 2.926,1264 2.079,1265 2.059,1266 2.169,1267 2.139,1268 1.444,1269 2.15,1270 1.853,1271 1.793,1272 2.067,1273 2.017,1274 1.3,1275 2.037,1276 1.543,1277 1.5,1278 1.734,1279 1.673,1280 0.928,1281 1.698,1282 1.258,1283 1.176,1284 1.567,1285 1.477,1286 0.825,1287 1.512,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.701,1293 1.429,1294 1.077,1295 1.021,1296 1.345,1297 1.234,1298 0.477,1299 1.276,1300 0.906,1301 0.823,1302 1.231,1303 1.122,1304 0.335,1305 1.165,1306 0.623,1307 0.545,1308 1.018,1309 0.863,1310 0.223,1311 0.922,1312 3.714,1314 5.004,1316 6.5,1318 8.085,1320 9.712,1322 2.368,1328 6.334,1332 0.915,1333 2.587,1340 23.289,1341 44.405,1342 107.525,1343 150.969,1344 168.621,1345 173.376,1346 177.376,1347 18.499,1348 6.51,1349 3.24,1350 3.24,1351 18,1352 11.894,1353 3.585,1354 2.7,1355 25.888,1356 53,1357 52,1358 0.242,1359 143.817,1360 241.58,1361 342.674,1362 5239,1364 12.372,1365 0.687,1366 0.617,1367 12.372,1368 11.102,1369 8.81,1370 0.44,1371 0.351,1372 6.98,1373 8.706,1374 6.75,1375 5.64,1376 8.81,1377 7.011,1378 7.845,1379 0.291,1380 0.209,1381 7.845,1382 5.64,1383 6.45,1384 0.19,1385 0.12,1386 6.45,1387 4.096,1388 5.221,1389 0.121,1390 0.065,1391 5.221,1392 2.816,1393 4.558,1394 0.081,1395 0.04,1396 4.558,1397 2.228,1398 0.377,1399 53.47,1400 0.269,1401 18.213,1402 0.669,1403 94,1404 169.645,1405 96.082,1406 174.684,1407 248.95,1408 166,1409 108,1410 187.113,1411 110.664,1412 196.442,1413 284.74,1414 185,1415 5.538}
{0 CHEMBL155191,1 1.229,2 4.182,3 2.358,4 5.559,5 44.3,6 6.962,7 0.5,8 3.124,9 3.23,10 2.651,11 2.789,12 4.168,13 2.731,14 3.668,15 3.828,16 3.006,17 3.192,18 4.632,19 3.111,20 3.915,21 4.117,22 2.98,23 3.221,24 4.989,25 3.111,26 3.845,27 4.083,28 2.506,29 2.932,30 4.934,31 2.776,32 3.336,33 3.602,34 1.784,35 2.389,36 4.302,37 2.174,38 2.926,39 3.285,40 0.618,41 1.735,42 3.526,43 1.384,44 1.844,45 2.277,46 0.042,47 0.626,48 1.946,49 0.348,56 0.011,57 0.249,58 4.343,59 2.162,60 2.561,61 2.845,62 0.029,63 0.432,64 8.015,65 3.768,66 6.658,67 5.044,68 0.065,69 0.542,70 10.962,71 4.69,72 14.279,73 6.24,74 0.136,75 0.487,76 10.969,77 4.161,78 32.096,79 5.401,80 0.059,81 0.295,82 6.468,83 2.568,84 15.366,85 3.493,86 0.041,87 0.193,88 4.495,89 1.724,90 9.656,91 2.5,92 0.013,93 0.059,94 1.474,95 0.534,96 2.604,97 0.831,104 5,105 17,106 0.261,107 0.615,108 0.765,109 0.846,110 0.866,111 0.866,112 2.53,113 0.977,114 -3.95,115 -3.91,116 -3.7,121 47.6,122 1,123 1,124 1,144 4,145 2,159 1,176 9,180 2,187 11,192 4,200 9,206 2,214 5,219 1,227 2,281 67,282 7.345,283 7.345,284 7.345,285 7.345,286 7.345,287 6.526,288 6.924,289 4.281,290 7.321,291 5.895,292 5.895,293 5.895,294 5.895,295 5.895,296 4.61,297 6.379,298 2.01,299 5.838,300 3.164,301 1.5,302 0.798,303 0.417,304 0.322,305 0.322,306 3.148,312 1,313 96,314 1.414,317 17.166,318 21.524,321 32.78,325 0.595,326 8.87,329 1,330 0.67,331 0.83,332 0.7,333 0.5,334 1,335 1,336 0.81,337 23,338 46,339 4.438,340 3.773,341 6.649,342 4.159,343 3.145,344 4.001,345 1.277,346 10.572,347 3.188,348 3.48,349 2.676,350 5.386,351 3.147,352 2.133,353 2.739,355 6.339,356 2.161,357 2.974,358 1.978,359 4.732,360 2.695,361 1.683,362 2.112,364 4.873,365 1.7,366 2.762,367 1.433,368 3.611,369 2.354,370 1.354,371 1.849,373 2.935,374 1.354,375 2.256,376 1.309,377 3.364,378 1.801,379 0.759,380 1.063,382 1.797,383 0.786,384 1.141,385 0.336,386 2.383,387 0.804,388 -0.235,389 -0.291,391 -0.536,392 -0.242,393 0.644,394 -0.59,395 2,396 0.224,397 -0.793,398 -1.057,400 -1.916,401 -0.804,402 0.305,403 -0.879,404 2,406 -1,407 -1.302,409 -2.433,410 -1,411 -0.042,412 -1,413 1.268,414 -0.323,415 -1.377,416 -1.755,418 -3.696,419 -1.453,420 -0.5,421 -1.578,422 1.262,423 -0.779,424 -1.786,425 -2.146,427 -5.032,428 -1.803,429 -0.656,430 -1.698,431 1.027,432 -0.883,433 -1.884,434 -2.214,436 -6.037,437 -1.887,438 -0.802,439 -2,440 0.319,441 -1,442 -2,443 -3,444 -1.277,445 -6.866,446 -2,474 5.333,475 0.485,476 0.298,477 0.027,478 13.75,479 1.25,480 7.5,481 0.682,482 6.25,483 0.568,484 6.622,485 0.602,486 11.467,487 0.546,488 6.825,489 0.62,490 2.558,491 0.233,492 2.73,493 0.248,494 0.156,496 0.375,501 0.465,502 0.955,503 0.807,504 0.953,505 0.499,506 0.92,507 0.512,508 0.979,509 0.82,510 0.976,511 0.55,512 0.936,513 0.965,514 1.146,515 0.994,516 1.133,517 0.965,518 1.076,519 1.861,520 0.996,521 1.272,522 1,523 1.815,524 1.065,525 1.187,526 1.158,527 1.242,528 1.168,529 1.169,530 1.204,531 0.671,532 0.803,533 0.909,534 0.821,535 0.69,536 0.88,549 2,551 1.556,552 1.264,553 0.297,554 0.142,559 589,560 1409,561 2.043,562 47.6,563 5,564 4,568 1,572 1.433,573 1.886,574 2.214,575 -0.877,582 25.8,583 1.229,584 2.892,585 3.594,586 3.975,587 4.071,588 4.071,589 1.495,590 3.096,591 3.439,592 2.147,593 118.11,594 5.629,595 776.824,597 1,600 92.239,601 1.495,602 3.376,603 0.167,605 0.092,606 0.084,607 0.037,608 0.047,613 0.427,614 1,615 1,616 0.762,617 35.288,618 0.001,619 0.05,620 0.035,621 0.05,622 -0.023,623 0.047,624 0.035,625 0.003,626 0.058,627 0.009,628 -0.004,629 0.032,630 0.015,631 -0.195,632 -0.054,633 -0.185,634 0.014,635 -0.135,636 -0.251,637 -0.061,638 -0.255,639 -0.079,640 -0.195,641 -0.155,642 -0.114,643 -0.236,644 -0.265,645 -0.244,646 -0.092,647 -0.266,648 0.009,649 0.105,650 0.096,651 0.107,652 -0.032,653 0.11,654 0.323,655 0.906,656 1.077,657 0.949,658 0.271,659 1.07,666 1.361,667 4.397,668 0.818,669 3.752,670 0.988,671 1.109,672 2.723,673 7.414,674 0.679,675 2.565,676 2.89,677 3.178,678 3.401,679 3.466,680 3.219,681 3.091,682 2.944,683 1.792,684 0.693,685 2.757,686 0.636,687 146.2,688 2.565,689 4.078,690 4.934,691 5.814,692 6.691,693 7.575,694 8.456,695 9.341,696 10.223,697 11.108,715 4,720 2,722 6,727 1,741 21,743 7,744 1,745 12,747 22,748 10,749 6,750 2,751 4,752 1,756 2,757 3,763 1,767 1,768 1,770 1,772 7,773 3,774 1,777 1,782 1,786 1,793 10,794 1,796 1,808 0.5,809 1,828 1,829 1,832 1,859 1,864 1,868 11,876 1,880 1,893 4.8,896 1,901 5.833,902 4.083,903 2.417,904 1.375,907 1.398,908 1.266,909 0.968,910 1.316,911 6.661,912 2.833,913 3.384,914 3.946,915 4.429,916 4.843,917 4.768,918 4.919,919 4.925,920 4.123,921 2.784,922 0.667,923 15,924 4.081,925 -0.011,926 1.748,927 0.026,929 7.758,931 7.92,932 -0.004,933 6.711,934 0.004,936 2.258,937 24.833,938 0.022,941 117.711,942 60.769,945 25.145,948 60.769,949 142.856,951 8.825,952 2.535,953 37.905,954 30.278,955 6.371,957 117.711,959 117.711,960 60.769,961 25.145,964 117.711,965 25.145,968 11.36,969 49.41,972 117.711,973 25.145,974 60.769,977 117.711,978 14.039,979 46.73,981 25.145,982 117.711,983 25.145,984 60.769,986 0.588,987 0.361,988 0.192,989 0.095,990 10,991 4,994 1,995 1.222,996 2.276,997 63.857,998 0.222,999 9,1000 38.054,1005 6.597,1006 2.195,1007 0.882,1009 25.145,1010 7.872,1015 2.144,1018 203.625,1019 16,1024 11.397,1028 0.306,1031 20.745,1032 23.285,1034 0.28,1035 0.658,1036 0.818,1037 0.905,1038 0.927,1039 0.927,1040 4.052,1041 -1,1042 4.934,1043 -1.916,1044 3.555,1045 4.06,1046 1.45,1047 5.771,1048 3.578,1049 5.248,1050 -1.377,1051 6.518,1052 -2.433,1053 3.219,1054 3.829,1056 6.735,1057 3.266,1058 6.552,1059 -1.786,1060 8.207,1061 -3.696,1062 5.165,1063 6.187,1064 1.845,1065 9.862,1066 5.211,1067 7.896,1068 -1.884,1069 9.957,1070 -5.032,1071 5.673,1072 6.782,1074 11.678,1075 5.749,1076 9.277,1077 -2,1078 11.744,1079 -6.037,1080 7.124,1081 8.637,1082 2.271,1083 14.315,1084 7.199,1085 10.684,1087 13.558,1088 -6.866,1089 8.01,1090 9.624,1092 16.464,1093 8.11,1094 12.113,1096 15.39,1098 9.269,1099 11.253,1100 2.72,1101 18.929,1102 9.374,1103 3.145,1105 17.235,1107 10.313,1108 12.431,1110 21.207,1111 10.439,1112 2.133,1113 10.572,1114 19.092,1116 11.5,1117 13.948,1118 3.184,1119 23.606,1120 11.635,1121 1.683,1122 6.339,1123 20.956,1124 4.001,1125 12.606,1126 15.224,1128 25.933,1129 12.758,1130 1.354,1131 4.873,1132 22.827,1133 2.739,1134 13.767,1135 16.682,1136 3.658,1137 28.308,1138 13.93,1139 0.759,1140 2.935,1141 24.703,1142 2.112,1143 14.897,1144 18.009,1146 30.654,1147 15.076,1148 -0.235,1149 1.797,1150 26.582,1151 1.849,1152 16.049,1153 19.435,1154 4.138,1155 33.019,1156 16.239,1157 -0.793,1158 -0.536,1159 28.465,1160 1.063,1161 17.188,1162 20.789,1164 35.372,1165 17.393,1166 642,1167 1027,1168 7.86,1169 14.261,1170 18.485,1171 19.25,1172 19.151,1173 18.146,1174 18.148,1175 23.528,1176 2.555,1177 53.033,1178 18.378,1179 5.24,1180 5.773,1181 6.33,1182 5.159,1183 5.145,1184 7.001,1185 2.555,1186 17.438,1187 5.188,1188 4.565,1189 1.54,1190 1.604,1191 1.596,1192 1.512,1193 1.512,1194 1.961,1195 0.213,1196 4.419,1197 1.531,1198 4.025,1199 4.047,1200 3.968,1201 3.964,1202 7.426,1203 3.961,1204 3.519,1205 3.571,1206 3.395,1207 3.406,1208 4.716,1209 3.395,1210 2.995,1211 3.052,1212 2.882,1213 2.845,1214 4.053,1215 2.843,1216 2.956,1217 3.027,1218 2.724,1219 2.782,1220 3.649,1221 2.757,1222 2.572,1223 2.629,1224 2.413,1225 2.305,1226 3.541,1227 2.321,1228 2.344,1229 2.429,1230 2.091,1231 2.151,1232 2.878,1233 2.128,1234 1.717,1235 1.875,1236 1.252,1237 1.297,1238 2.336,1239 1.259,1240 1.473,1241 1.688,1242 0.89,1243 1.045,1244 1.837,1245 0.967,1246 0.37,1247 0.314,1248 0.554,1249 0.347,1250 0.262,1251 4.438,1252 0.333,1253 3.773,1254 0.106,1255 6.649,1256 0.881,1257 4.159,1258 0.266,1259 3.145,1260 4.001,1261 1.277,1262 10.572,1263 3.188,1264 1.891,1265 1.869,1266 2.003,1267 1.962,1268 1.207,1269 1.976,1270 1.644,1271 1.599,1272 1.87,1273 1.808,1274 1.066,1275 1.829,1276 1.041,1277 1,1278 1.361,1279 1.223,1280 0.504,1281 1.273,1282 0.95,1283 0.873,1284 1.184,1285 1.193,1286 0.249,1287 1.188,1288 0.687,1289 0.601,1290 1.031,1291 0.928,1292 0.108,1293 0.97,1294 0.131,1295 0.053,1296 0.593,1297 0.476,1299 0.51,1302 0.317,1303 0.2,1305 0.25,1308 0.281,1309 0.038,1311 0.139,1312 3.219,1314 4.533,1315 2.398,1316 6.057,1317 4.844,1318 7.669,1319 7.002,1320 9.325,1322 1.988,1328 0.926,1332 0.201,1340 13.349,1341 25.8,1342 60.729,1343 75.484,1344 83.484,1345 85.484,1346 85.484,1347 13.579,1348 5.263,1349 17.07,1350 17.07,1351 11,1352 11.64,1353 3,1354 2.322,1355 15.049,1356 19,1357 13,1358 0.469,1359 84.194,1360 144.17,1361 197.193,1362 876,1364 7.845,1365 0.713,1366 0.591,1367 7.845,1368 6.502,1369 5.288,1370 0.441,1371 0.326,1372 3.895,1373 5.224,1374 3.751,1375 3.128,1376 5.288,1377 3.909,1378 4.78,1379 0.281,1380 0.184,1381 4.78,1382 3.127,1383 4.215,1384 0.183,1385 0.098,1386 4.215,1387 2.257,1388 3.335,1389 0.115,1390 0.056,1391 3.335,1392 1.627,1393 2.483,1394 0.08,1395 0.033,1396 2.483,1397 1.024,1398 0.644,1399 32.304,1400 0.357,1401 10.614,1402 1.569,1403 58,1404 145.736,1405 60.104,1406 143.918,1407 195.04,1408 134,1409 69,1410 139.636,1411 71.326,1412 143.915,1413 210.18,1414 136,1415 6.625}
{0 CHEMBL155320,1 1.658,2 4.6,3 2.211,4 4.887,5 38.424,6 8.068,7 0.6,8 2.936,9 3.038,10 2.554,11 2.473,12 4.263,13 2.458,14 3.359,15 3.5,16 2.817,17 2.772,18 4.893,19 2.745,20 3.486,21 3.658,22 2.722,23 2.768,24 4.791,25 2.717,26 3.528,27 3.767,28 2.323,29 2.428,30 4.849,31 2.35,32 2.982,33 3.252,34 1.721,35 1.71,36 4.239,37 1.665,38 1.936,39 2.091,40 1.376,41 0.964,42 3.555,43 1.108,44 2.14,45 2.279,46 0.514,47 0.712,48 3.761,49 0.756,56 0.104,57 0.233,58 2.921,59 1.505,60 2.853,61 1.863,62 0.16,63 0.331,64 5.215,65 2.411,66 36.845,67 3.048,68 0.106,69 0.367,70 6.089,71 2.576,72 9.917,73 3.332,74 0.233,75 0.306,76 8.349,77 2.41,78 37.452,79 3.253,80 0.177,81 0.151,82 5.49,83 1.281,84 38.668,85 1.781,86 0.048,87 0.06,88 1.306,89 0.168,90 1.803,91 0.172,92 0.15,93 0.04,94 2.329,95 0.341,96 33.181,97 0.152,104 11,105 13,106 0.372,107 0.616,108 0.669,109 0.722,110 0.722,111 0.722,112 2.441,113 0.873,114 -3.47,115 -3.45,116 -3.29,121 41.2,122 1,144 4,145 1,146 1,168 2,176 5,179 1,180 2,187 6,192 6,200 4,206 5,219 3,232 2,281 60,282 6.345,283 6.345,284 6.345,285 6.345,286 6.345,287 5.265,288 7.379,289 3.78,290 6.401,291 4.901,292 4.901,293 4.901,294 4.901,295 4.901,296 3.38,297 6.614,298 1.779,299 4.981,300 2.43,301 1.339,302 1.103,303 0.868,304 0.868,305 0.868,306 3.015,312 1,313 88,314 2,318 30.514,325 1,326 12.471,329 1,330 0.83,331 0.83,332 0.6,334 1,335 1,336 0.75,337 22.5,338 46,339 4.249,340 3.778,341 5.924,342 3.745,343 2.77,344 3.947,345 2.612,346 8.192,347 2.7,348 3.705,349 2.592,350 5,351 3.239,352 2.248,353 3.182,355 5.938,356 2.224,357 2.914,358 1.905,359 3.737,360 2.234,361 1.235,362 2.012,364 2.868,365 1.234,366 2.5,367 1,368 3.414,369 2,370 1,371 1.5,373 2.275,374 1,375 1.119,376 1,377 2,378 0.758,379 -0.235,380 -0.302,382 -0.5,383 -0.234,384 1,385 0.151,386 2,388 -1,389 -1.5,391 -2,392 -1,393 0.5,394 -0.84,395 1.49,397 -1,398 -1.539,400 -3,401 -1,402 -0.015,403 -1,404 1,405 -0.264,406 -1.248,407 -2,409 -3.01,410 -1.224,411 -0.472,412 -1.506,413 0.849,414 -0.812,415 -1.77,416 -2.3,417 -0.612,418 -5.275,419 -1.7,420 -0.5,421 -2,422 0.586,423 -1,424 -2,425 -3,426 -2,427 -5.487,428 -2,474 4.567,475 0.457,476 0.302,477 0.03,478 14.75,479 1.475,480 9,481 0.9,482 5.75,483 0.575,484 4.067,485 0.407,486 11.033,487 0.649,488 7.886,489 0.789,490 3.067,491 0.307,492 1.631,493 0.163,494 0.255,496 0.307,501 0.195,502 0.946,503 0.653,504 0.942,505 0.477,506 0.944,507 0.353,508 1.089,509 0.657,510 1.048,511 0.336,512 0.962,513 0.64,514 1.36,515 0.979,516 1.384,517 0.525,518 1.29,519 1.167,520 0.995,521 1.114,522 1.054,523 1.135,524 1.066,525 1.479,526 0.674,527 0.932,528 0.589,529 1.579,530 0.615,531 2.251,532 0.873,533 1.394,534 0.86,535 1.49,536 0.746,537 4.684,539 2.906,540 0.03,541 5.061,542 0.847,549 2.5,551 1.333,552 0.5,553 0.382,554 0.236,559 420,560 1669,561 1.835,562 41.2,563 3,564 4,572 1.389,573 1.667,574 2.329,575 -0.672,582 28.184,583 1.658,584 2.749,585 2.984,586 3.22,587 3.22,588 3.22,589 1.971,590 2.446,591 3.296,592 2.344,593 105.49,594 5.306,595 636.675,600 69.487,601 1.571,602 3.209,603 0.25,605 0.103,606 0.045,607 0.064,608 0.079,613 0.54,614 1,615 1,616 1.185,617 31.601,618 0.382,619 0.24,620 0.051,621 0.106,622 0.003,623 -0.017,624 0.291,625 -0.061,626 0.143,628 0.306,629 0.023,630 -0.022,631 -0.35,632 -0.159,633 -0.405,634 0.044,635 -0.333,636 -0.159,637 -0.173,638 -0.068,639 -0.165,640 -0.113,641 -0.101,642 -0.214,643 0.027,644 0.27,645 0.269,646 -0.244,647 0.376,648 -0.644,649 0.317,650 -0.348,651 -0.262,652 -0.052,653 -0.141,654 -1.669,655 0.565,656 -1.538,657 0.67,658 -1.652,659 -0.224,666 2.403,667 3.118,668 0.6,669 4,670 1.024,671 1.127,672 2.241,673 5.02,674 0.659,675 2.398,676 2.639,677 2.708,678 2.708,679 2.833,680 2.565,681 1.609,685 2.996,686 0.649,687 137.15,688 2.398,689 3.85,690 4.615,691 5.425,692 6.217,693 7.027,694 7.824,695 8.635,696 9.434,697 10.244,698 5.9,709 1,715 4,720 2,722 6,735 1,741 17,743 8,744 1,745 10,747 17,748 7,749 6,750 2,751 4,756 1,757 1,763 1,772 6,773 1,777 2,779 1,782 2,793 7,794 2,796 3,802 1,808 1,809 2,829 1,859 1,864 1,868 10,893 11.8,899 2,901 6,902 3.367,903 2.278,904 0.922,907 1.485,908 1.327,909 0.895,910 1.785,911 6.028,912 2.773,913 3.35,914 3.744,915 4.141,916 4.611,917 4.594,918 4.123,922 1,923 11,924 3.629,925 0.02,926 1.445,927 0.026,929 8.433,931 6.548,932 0.009,933 4.821,934 0.015,935 0.001,936 2.933,937 29.333,938 0.011,941 82.398,942 52.673,943 5.67,945 50.747,948 52.673,949 133.145,950 5.67,951 14.495,953 37.905,955 5.942,957 82.398,958 50.747,959 82.398,960 58.343,961 50.747,964 82.398,966 50.747,968 8.825,969 43.847,970 5.67,972 82.398,973 56.417,974 52.673,977 82.398,978 5.942,979 52.4,981 50.747,982 82.398,983 56.417,984 52.673,986 0.577,987 0.307,988 0.129,989 0.072,990 6,991 3,992 0.059,993 1,995 1,996 2.119,997 47.528,999 6,1000 27.219,1005 6.906,1006 2.585,1007 1.633,1009 50.747,1010 6.431,1015 1.177,1018 191.487,1019 15,1021 -0.403,1024 20.236,1031 17.407,1032 19.163,1034 0.406,1035 0.673,1036 0.73,1037 0.788,1038 0.788,1039 0.788,1040 3.922,1041 -1.248,1042 4.595,1043 -3,1044 3.296,1045 4.025,1046 2.501,1047 5.283,1048 3.266,1049 5.143,1050 -1.77,1051 6.103,1052 -3.01,1053 2.944,1054 3.951,1055 2.361,1056 6.043,1057 2.879,1058 6.445,1059 -2,1060 7.708,1061 -5.275,1062 4.779,1063 6.221,1064 4.154,1065 8.949,1066 4.705,1067 7.781,1069 9.366,1070 -5.487,1071 5.142,1072 6.877,1073 4.506,1074 10.461,1075 5.023,1076 9.141,1078 11.055,1080 6.532,1081 8.676,1082 5.948,1083 12.892,1084 6.409,1085 10.519,1087 12.766,1089 7.215,1090 9.66,1091 6.556,1092 14.719,1093 7.044,1094 11.909,1096 14.491,1098 8.409,1099 11.256,1100 7.794,1101 16.962,1102 8.233,1103 2.77,1105 16.226,1107 9.248,1108 12.406,1109 8.548,1110 18.937,1111 9.027,1112 2.248,1113 8.192,1114 17.97,1116 10.35,1117 13.901,1118 9.67,1119 21.099,1120 10.118,1121 1.235,1122 5.938,1123 19.72,1124 3.947,1125 11.271,1126 15.143,1127 10.509,1128 23.143,1129 10.999,1130 1,1131 2.868,1132 21.476,1133 3.182,1134 12.328,1135 16.583,1136 11.563,1137 25.271,1138 12.04,1139 -0.235,1140 2.275,1141 23.235,1142 2.012,1143 13.293,1144 17.879,1145 12.452,1146 27.347,1147 12.968,1148 -1,1149 -0.5,1150 24.997,1151 1.5,1152 14.328,1153 19.289,1154 13.468,1155 29.46,1156 13.985,1157 -1,1158 -2,1159 26.762,1160 -0.302,1161 15.317,1162 20.616,1163 14.386,1164 31.551,1165 14.94,1166 502,1167 1072,1168 6.068,1169 11.199,1170 14.736,1171 15.471,1172 15.35,1173 14.516,1174 14.507,1175 21.282,1176 5.225,1177 38.544,1178 14.315,1179 4.749,1180 5.778,1181 5.338,1182 4.745,1183 4.77,1184 6.947,1185 4.612,1186 13.679,1187 4.7,1188 5.448,1189 1.474,1190 1.547,1191 1.535,1192 1.452,1193 1.451,1194 2.128,1195 0.522,1196 3.854,1197 1.431,1198 3.987,1199 4.015,1200 3.945,1201 3.872,1202 7.815,1203 3.876,1204 3.533,1205 3.564,1206 3.487,1207 3.168,1208 6.999,1209 3.228,1210 3.012,1211 3.096,1212 2.801,1213 2.735,1214 4.705,1215 2.719,1216 2.854,1217 2.925,1218 2.687,1219 2.667,1220 3.83,1221 2.715,1222 2.309,1223 2.393,1224 2.071,1225 2.07,1226 3.674,1227 2.072,1228 1.602,1229 1.802,1230 1.331,1231 1.217,1232 3.067,1233 1.144,1234 1.326,1235 1.208,1236 1.039,1237 0.579,1238 1.992,1239 0.714,1240 0.981,1241 1.207,1242 0.476,1243 0.536,1244 1.723,1245 0.525,1246 0.425,1247 0.378,1248 0.592,1249 0.375,1250 0.277,1251 4.249,1252 0.395,1253 3.778,1254 0.261,1255 5.924,1256 0.819,1257 3.745,1258 0.27,1259 2.77,1260 3.947,1261 2.612,1262 8.192,1263 2.7,1264 1.93,1265 1.902,1266 2.044,1267 2.086,1268 1.131,1269 2.056,1270 1.328,1271 1.281,1272 1.565,1273 1.715,1274 0.612,1275 1.641,1276 0.911,1277 0.842,1278 1.181,1279 1.287,1280 0.218,1281 1.293,1282 0.886,1283 0.821,1284 1.112,1285 1.062,1287 1.107,1288 0.291,1289 0.217,1290 0.63,1291 0.576,1293 0.614,1296 0.381,1297 0.133,1299 0.23,1312 3.045,1314 4.29,1316 5.733,1318 7.256,1320 8.816,1322 1.893,1340 11.031,1341 28.184,1342 46.732,1343 50.732,1344 54.732,1345 54.732,1346 54.732,1347 13.407,1348 4.543,1349 45.82,1350 45.82,1351 6,1352 10.835,1353 3.17,1354 2.585,1355 16.643,1356 18,1357 14,1358 0.525,1359 73.601,1360 124.42,1361 171.346,1362 314,1364 7.56,1365 0.756,1366 0.557,1367 7.56,1368 5.573,1369 4.698,1370 0.47,1371 0.291,1372 2.866,1373 4.449,1374 2.757,1375 2.348,1376 4.698,1377 2.91,1378 4.264,1379 0.328,1380 0.161,1381 4.264,1382 2.093,1383 3.003,1384 0.215,1385 0.089,1386 3.003,1387 1.245,1388 1.953,1389 0.139,1390 0.048,1391 1.953,1392 0.666,1393 1.449,1394 0.091,1395 0.028,1396 1.449,1397 0.441,1398 0.751,1399 30.089,1400 0.406,1401 9.95,1402 1.597,1403 46,1404 193.116,1405 52.177,1406 184.292,1407 232.88,1408 166,1409 50,1410 165.365,1411 55.819,1412 163.018,1413 225.94,1414 150,1415 5.31}
{0 CHEMBL155322,1 1.48,2 12.778,3 2.31,4 5.338,5 105.563,6 6.701,7 0.172,8 4.082,9 4.226,10 3.557,11 3.549,12 5.107,13 3.52,14 4.676,15 4.896,16 3.865,17 3.944,18 5.534,19 3.881,20 4.961,21 5.223,22 3.857,23 4.09,24 5.803,25 3.97,26 5,27 5.275,28 3.829,29 4.114,30 5.897,31 3.963,32 4.995,33 5.288,34 3.735,35 4.024,36 5.835,37 3.876,38 4.826,39 5.099,40 3.551,41 3.868,42 5.783,43 3.733,44 4.617,45 4.884,46 3.418,47 3.736,48 5.486,49 3.586,50 4.539,51 4.815,52 3.391,53 3.629,54 5.37,55 3.5,56 0.043,57 0.835,58 12.867,59 4.596,60 12.991,61 6.979,62 0.227,63 1.306,64 24.559,65 7.468,66 17.617,67 11.864,68 0.497,69 1.529,70 33.537,71 10.037,72 41.78,73 15.913,74 0.362,75 1.566,76 34.368,77 11.658,78 57.26,79 17.829,80 0.376,81 1.436,82 34.9,83 10.741,84 45.627,85 16.85,86 0.51,87 1.235,88 29.868,89 8.281,90 64.547,91 13.141,92 0.247,93 1.06,94 23.434,95 7.699,96 36.637,97 11.864,98 0.256,99 0.953,100 21.892,101 6.717,102 27.367,103 10.624,104 15,105 38,106 0.246,107 0.537,108 0.739,109 0.851,110 0.869,111 0.875,112 3.339,113 1.01,114 -1.32,115 -1.41,116 -1.47,121 36.4,122 1,123 3,127 7,129 1,138 1,141 1,144 2,154 2,160 2,176 3,180 8,183 1,185 1,187 2,191 1,192 2,195 2,197 1,200 1,205 3,206 1,209 2,211 1,214 1,219 3,223 1,224 1,227 3,231 1,232 2,235 1,239 4,244 1,247 2,251 1,256 1,259 1,261 4,264 1,268 1,274 2,277 1,281 1135,282 18.654,283 18.654,284 18.654,285 18.654,286 18.654,287 17.592,288 29.793,289 11.234,290 19.019,291 14.197,292 14.197,293 14.197,294 14.197,295 14.197,296 12.356,297 42.171,298 5.145,299 14.797,300 4.301,301 2.553,302 1.336,303 0.668,304 0.559,305 0.523,306 4.021,310 1,311 1,312 1,313 729,314 3.606,317 171.277,318 100.667,325 2.041,326 22.009,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 58,338 345,339 4.392,340 4.259,341 6.5,342 3.96,343 3.018,344 3.798,345 2.689,346 10.151,347 2.846,348 4.138,349 3.869,350 6.069,351 3.836,352 2.876,353 3.737,354 1.539,355 8.801,356 2.78,357 3.768,358 3.209,359 5.608,360 3.616,361 2.641,362 2.806,363 0.916,364 7.698,365 2.559,366 3.581,367 3.166,368 5.201,369 3.124,370 2.168,371 2.465,372 0.886,373 6.153,374 2.067,375 3.303,376 2.85,377 4.892,378 2.965,379 1.982,380 2.349,381 0.657,382 5.646,383 1.947,384 3.203,385 2.336,386 4.122,387 2.492,388 1.546,389 1.625,390 0.4,391 3.664,392 1.459,393 2.818,394 2.255,395 3.998,396 2.404,397 1.414,398 1.438,399 0.172,400 3.386,401 1.398,402 2.501,403 1.782,404 3.6,405 2.345,406 1.383,407 1.414,409 2.966,410 1.327,411 2.414,412 1.562,413 3.533,414 2.025,415 1.104,416 1.303,418 2.57,419 1.015,420 2.411,421 1.464,422 3.397,423 1.878,424 0.928,425 1.188,427 2.131,428 0.879,429 2.214,430 1.418,431 3.274,432 1.733,433 0.74,434 1.095,436 1.756,437 0.735,438 2.102,439 1.069,440 2.917,441 1.547,442 0.618,443 1.027,445 0.791,446 0.572,447 1.526,448 0.837,449 2.722,450 1.28,451 0.327,452 0.348,454 0.76,455 0.31,456 1.391,457 0.523,458 2.618,459 1.09,460 0.118,461 0.124,463 0.277,464 0.115,465 1.183,466 0.274,467 2.312,468 0.67,469 -0.259,470 -0.418,472 -0.361,473 -0.24,474 12.733,475 0.472,476 0.465,477 0.017,478 29,479 1.074,480 11,481 0.407,482 18,483 0.667,484 25.902,485 0.959,486 30.467,487 0.554,488 19.51,489 0.723,490 5.408,491 0.2,492 7.799,493 0.289,494 0.102,496 0.259,501 0.945,502 1.603,503 0.899,504 1.3,505 0.445,506 1.121,507 1.17,508 1.19,509 1.009,510 1.076,511 0.421,512 1.02,513 1.18,514 0.972,515 1.053,516 0.956,517 0.491,518 0.991,519 0.628,520 1.036,521 0.937,522 1.146,523 0.411,524 1.097,525 1.074,526 0.942,527 0.895,528 0.946,529 0.903,530 0.915,531 1.688,532 0.818,533 1.217,534 0.883,535 1.754,536 0.988,537 0.903,538 1.072,539 1.064,540 1.172,541 0.861,542 1.15,543 1.011,544 1.014,545 0.934,546 0.998,547 0.754,548 0.967,549 4.5,550 0.097,551 2.667,552 1.694,553 1.082,554 0.518,555 0.399,556 0.162,557 0.176,558 0.106,559 10125,560 23703,561 2.057,562 50.9,563 2,564 17,567 2,569 7,572 1.693,573 1.952,574 3.621,575 0.267,576 1,577 1,582 81.421,583 1.48,584 3.229,585 4.445,586 5.113,587 5.222,588 5.259,589 3.042,590 4.533,591 4.731,592 3.838,593 1347.02,594 8.166,595 18855.3,597 1,599 1,600 317.975,601 1.277,602 4.698,603 0.155,604 0.005,605 0.07,606 0.047,607 0.032,608 0.017,609 0.016,610 0.007,611 0.008,612 0.005,613 0.362,614 0.33,615 1,616 0.983,617 138.377,618 -0.023,619 -0.288,620 0.061,621 -0.121,622 0.125,623 -0.032,624 -0.084,625 -0.041,626 -0.017,627 -0.043,628 0.031,629 -0.019,630 -0.023,631 0.028,632 -0.056,633 0.027,634 0.094,635 -0.015,636 0.166,637 -0.068,638 0.019,639 -0.128,640 0.241,641 -0.085,642 -0.005,643 -0.055,644 0.092,645 0.026,646 -0.041,647 0.064,648 -0.221,649 0.131,650 -0.187,651 0.051,652 -0.302,653 -0.052,654 0.014,655 -0.092,656 -0.097,657 -0.157,658 -0.019,659 -0.147,660 0.043,661 -0.07,662 0.052,663 -0.011,664 -0.018,665 0.018,666 1.518,667 3.032,668 0.593,669 27.742,670 0.994,671 1.141,672 0.094,673 0.009,674 0.634,675 3.401,676 3.664,677 3.912,678 4.111,679 4.127,680 4.078,681 4.111,682 4.143,683 4.174,684 4.248,685 7.744,686 0.593,687 368.54,688 3.401,689 4.905,690 5.733,691 6.581,692 7.422,693 8.273,694 9.119,695 9.971,696 10.819,697 11.67,698 10.9,700 2,701 2,707 2,715 2,718 1,720 2,722 5,741 55,743 8,745 29,747 57,748 20,749 4,756 3,757 3,763 1,767 4,770 4,771 2,772 6,773 12,777 1,786 2,789 1,790 1,792 1,793 28,794 7,795 2,796 7,802 6,808 1,809 1,828 2,829 1,838 2,850 1,853 2,855 2,859 3,864 1,868 27,876 10,877 2,880 1,881 2,885 2,889 2,891 2,893 1.8,898 1,901 13.833,902 9.967,903 6.25,904 3.603,907 1.58,908 1.222,909 0.945,910 7.178,911 8.699,912 3.624,913 4.012,914 4.498,915 4.92,916 4.964,917 5.012,918 5.137,919 5.196,920 5.277,921 5.53,922 1,923 36,924 9.979,926 4.094,927 0.026,929 7.667,931 19.546,933 15.946,936 2.167,937 58.5,940 1,941 306.049,942 99.736,943 104.389,945 9.507,948 99.736,949 315.556,950 104.389,951 8.825,952 22.344,953 54.974,954 33.203,955 83.388,956 10.898,957 306.049,959 306.049,960 204.125,961 9.507,964 223.651,965 91.905,968 135.558,969 68.567,972 306.049,973 113.896,974 99.736,977 306.049,978 38.755,979 34.026,980 69.225,981 71.626,982 306.049,983 113.896,984 99.736,986 0.561,987 0.339,988 0.184,989 0.085,990 16,991 7,992 0.123,993 7,995 1,996 4.055,997 209.712,999 16,1000 124.382,1005 19.766,1006 9.806,1007 5.265,1009 113.896,1010 4.124,1013 5.975,1015 1.974,1017 36.022,1018 519.681,1019 36.5,1028 0.799,1031 54.658,1032 62.766,1034 0.256,1035 0.558,1036 0.769,1037 0.884,1038 0.903,1039 0.91,1040 4.877,1041 1.383,1042 5.68,1043 3.386,1044 4.344,1045 4.696,1046 3.185,1047 6.435,1048 4.262,1049 6.03,1050 1.104,1051 7.203,1052 2.966,1053 3.761,1054 4.248,1055 0.57,1056 7.248,1057 3.638,1058 7.303,1059 0.928,1060 8.827,1061 2.57,1062 5.878,1063 6.678,1064 4.78,1065 10.318,1066 5.712,1067 8.608,1068 0.74,1069 10.515,1070 2.131,1071 6.196,1072 7.186,1073 0.637,1074 12.003,1075 5.978,1076 9.948,1077 0.618,1078 12.243,1079 1.756,1080 7.697,1081 8.992,1082 6.667,1083 14.554,1084 7.439,1085 11.312,1086 0.327,1087 14,1088 0.791,1089 8.423,1090 9.928,1091 0.607,1092 16.585,1093 8.109,1094 12.695,1095 0.118,1096 15.777,1097 0.76,1098 9.676,1099 11.476,1100 8.619,1101 18.966,1102 9.322,1103 3.018,1104 -0.259,1105 17.569,1106 0.277,1107 10.591,1108 12.613,1109 0.548,1110 21.145,1111 10.18,1112 2.876,1113 10.151,1114 19.372,1115 -0.361,1116 11.742,1117 14.045,1118 10.59,1119 23.468,1120 11.286,1121 2.641,1122 8.801,1123 21.184,1124 3.798,1125 12.744,1126 15.279,1127 0.481,1128 25.712,1129 12.233,1130 2.168,1131 7.698,1132 23.004,1133 3.737,1134 13.852,1135 16.657,1136 12.566,1137 28.019,1138 13.294,1139 1.982,1140 6.153,1141 24.829,1142 2.806,1143 14.896,1144 17.939,1145 0.415,1146 30.294,1147 14.282,1148 1.546,1149 5.646,1150 26.659,1151 2.465,1152 15.988,1153 19.291,1154 14.544,1155 32.596,1156 15.324,1157 1.414,1158 3.664,1159 28.494,1160 2.349,1161 17.052,1162 20.595,1163 0.355,1164 34.888,1165 16.333,1166 9835,1167 15255,1168 19.474,1169 34.864,1170 44.284,1171 46.853,1172 43.525,1173 41.748,1174 41.725,1175 49.436,1176 14.521,1177 113.501,1178 40.014,1179 5.392,1180 6.16,1181 6.189,1182 5.018,1183 5.018,1184 6.553,1185 5.379,1186 16.833,1187 4.785,1188 12.23,1189 1.527,1190 1.616,1191 1.501,1192 1.44,1193 1.439,1194 1.705,1195 0.501,1196 3.914,1197 1.38,1198 3.989,1199 4.027,1200 3.922,1201 3.828,1202 6.856,1203 3.844,1204 3.882,1205 3.942,1206 3.826,1207 3.712,1208 6.782,1209 3.734,1210 3.816,1211 3.861,1212 3.697,1213 3.672,1214 5.039,1215 3.67,1216 3.523,1217 3.595,1218 3.427,1219 3.345,1220 4.512,1221 3.354,1222 3.4,1223 3.469,1224 3.276,1225 3.209,1226 4.345,1227 3.212,1228 3.292,1229 3.381,1230 3.069,1231 3.13,1232 4.182,1233 3.102,1234 3.191,1235 3.279,1236 3.002,1237 3.009,1238 3.786,1239 2.997,1240 3.007,1241 3.109,1242 2.915,1243 2.795,1244 3.681,1245 2.779,1246 0.151,1247 0.147,1248 0.224,1249 0.137,1250 0.104,1251 4.392,1252 0.131,1253 4.259,1254 0.093,1255 6.5,1256 0.35,1257 3.96,1258 0.098,1259 3.018,1260 3.798,1261 2.689,1262 10.151,1263 2.846,1264 1.858,1265 1.797,1266 2.072,1267 2.039,1268 1.429,1269 2.053,1270 1.705,1271 1.654,1272 1.89,1273 1.917,1274 1.173,1275 1.912,1276 1.601,1277 1.559,1278 1.749,1279 1.776,1280 1.002,1281 1.753,1282 1.527,1283 1.478,1284 1.715,1285 1.724,1286 0.942,1287 1.733,1288 1.477,1289 1.423,1290 1.677,1291 1.675,1292 0.908,1293 1.685,1294 1.329,1295 1.247,1296 1.661,1297 1.54,1298 0.855,1299 1.59,1300 1.308,1301 1.238,1302 1.533,1303 1.522,1304 0.636,1305 1.53,1306 1.056,1307 0.965,1308 1.4,1309 1.31,1310 0.605,1311 1.341,1312 4.078,1314 5.352,1315 3.045,1316 6.808,1317 5.283,1318 8.347,1319 7.261,1320 9.931,1322 2.296,1328 9.682,1329 6.507,1332 0.633,1333 4.538,1338 18.064,1339 3.908,1340 32.638,1341 81.421,1342 177.571,1343 244.491,1344 281.22,1345 287.22,1346 289.22,1347 48.247,1348 7.12,1349 91.26,1350 91.26,1351 16,1352 12.227,1353 3.17,1354 3.087,1355 47.439,1356 129,1357 98,1358 0.178,1359 204.707,1360 362.89,1361 491.246,1362 13258,1364 19.062,1365 0.706,1366 0.593,1367 19.062,1368 16,1369 13.207,1370 0.455,1371 0.337,1372 9.621,1373 12.654,1374 9.41,1375 7.791,1376 13.207,1377 9.766,1378 11.018,1379 0.29,1380 0.19,1381 11.018,1382 7.221,1383 9.384,1384 0.192,1385 0.109,1386 9.384,1387 5.325,1388 7.604,1389 0.127,1390 0.063,1391 7.604,1392 3.754,1393 5.199,1394 0.085,1395 0.039,1396 5.199,1397 2.406,1398 0.292,1399 82.87,1400 0.227,1401 26.747,1402 0.453,1403 134,1404 362.982,1405 147.588,1406 354.709,1407 479.3,1408 332,1409 154,1410 347.188,1411 168.811,1412 350.248,1413 503.76,1414 329,1415 6.268}
{0 CHEMBL155350,1 1.677,2 8.864,3 3.723,4 13.863,5 86.799,6 7.995,7 0.417,8 3.795,9 3.91,10 3.422,11 3.321,12 4.88,13 3.304,14 4.349,15 4.535,16 3.83,17 3.724,18 5.447,19 3.688,20 4.498,21 4.682,22 3.991,23 3.846,24 5.581,25 3.803,26 4.506,27 4.65,28 3.995,29 3.896,30 5.629,31 3.835,32 4.598,33 4.784,34 3.923,35 3.891,36 5.703,37 3.778,38 4.636,39 4.893,40 3.572,41 3.725,42 5.568,43 3.57,44 4.363,45 4.611,46 3.28,47 3.452,48 5.317,49 3.305,50 4.147,51 4.399,52 3.107,53 3.22,54 5.164,55 3.09,56 0.041,57 0.583,58 7.653,59 3.545,60 4.975,61 4.599,62 0.365,63 0.923,64 16.687,65 5.893,66 29.088,67 8.078,68 0.339,69 1.019,70 21.206,71 7.256,72 27.691,73 9.44,74 0.328,75 1.015,76 21.191,77 7.269,78 27.925,79 9.032,80 0.389,81 1.049,82 26.717,83 8.61,84 40.969,85 11.312,86 0.429,87 0.977,88 32.434,89 8.976,90 42.328,91 12.298,92 0.407,93 0.753,94 22.48,95 6.834,96 31.851,97 9.228,98 0.215,99 0.62,100 17.521,101 5.222,102 26.471,103 7.185,104 35,105 35,106 0.299,107 0.651,108 0.804,109 0.858,110 0.858,111 0.858,112 3.148,113 0.961,114 -3.29,115 -3.27,116 -3.14,121 40,122 1,123 2,126 2,127 1,144 2,145 2,146 2,154 2,159 1,161 1,176 4,179 1,180 6,183 2,187 4,191 1,192 8,200 5,206 4,211 1,214 5,218 1,219 6,224 3,227 5,232 4,237 1,239 2,243 2,244 1,247 1,249 1,251 1,256 1,261 1,264 2,268 1,269 1,272 1,281 596,282 14.861,283 14.861,284 14.861,285 14.861,286 14.861,287 13.21,288 19.01,289 8.569,290 15.329,291 11.699,292 11.699,293 11.699,294 11.699,295 11.699,296 8.992,297 20.943,298 3.861,299 12.424,300 3.645,301 1.665,302 0.807,303 0.507,304 0.507,305 0.507,306 3.822,308 1,310 1,311 1,312 1,313 408,314 3.317,317 74.527,318 45.745,320 61.018,321 66.96,324 93.751,325 1.409,326 20.653,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 47.833,338 195,339 4.856,340 3.703,341 7.221,342 4.41,343 3.447,344 4.831,345 2.186,346 12.743,347 3.319,348 4.19,349 3.578,350 6.409,351 3.773,352 2.844,353 3.711,354 0.986,355 9.698,356 2.631,357 3.789,358 3.171,359 5.827,360 3.375,361 2.429,362 3.152,363 0.366,364 7.822,365 2.269,366 3.571,367 2.684,368 5.564,369 3.148,370 2.211,371 2.863,373 6.897,374 2.047,375 3.39,376 2.314,377 4.976,378 2.96,379 1.987,380 2.634,382 5.607,383 1.92,384 2.977,385 2.003,386 4.786,387 2.502,388 1.552,389 2.102,391 4.688,392 1.469,393 2.681,394 1.708,395 4.253,396 2.291,397 1.358,398 1.733,400 3.528,401 1.229,402 2.062,403 1.318,404 3.548,405 1.953,406 0.997,407 1.042,409 1.985,410 0.938,411 1.827,412 1.105,413 3.228,414 1.676,415 0.705,416 0.767,418 1.547,419 0.682,420 1.581,421 0.907,422 3.074,423 1.35,424 0.47,425 0.504,427 0.885,428 0.398,429 1.439,430 0.879,431 2.764,432 1.007,433 0.111,434 0.135,436 0.188,437 0.087,438 1.049,439 0.355,440 2.501,441 0.656,442 -0.293,443 -0.362,445 -0.603,446 -0.269,447 0.839,448 0.001,449 2.296,450 0.475,451 -0.46,452 -0.544,454 -1,455 -0.408,456 0.63,457 -0.231,458 2,459 0.181,460 -0.786,461 -1.011,463 -1.965,464 -0.727,465 0.1,466 -0.736,467 2,468 -0.146,469 -1.099,470 -1.264,472 -2.632,473 -1,474 10.581,475 0.481,476 0.593,477 0.027,478 26.25,479 1.193,480 11.5,481 0.523,482 14.75,483 0.67,484 19.35,485 0.88,486 24.219,487 0.605,488 18.401,489 0.836,490 5.172,491 0.235,492 5.407,493 0.246,494 0.241,496 0.416,501 0.749,502 1.47,503 0.622,504 1.077,505 0.584,506 0.963,507 0.651,508 0.905,509 0.597,510 0.683,511 0.457,512 0.694,513 0.944,514 0.967,515 0.73,516 0.817,517 0.769,518 0.772,519 1.364,520 1.171,521 1.166,522 1.063,523 1.255,524 1.088,525 0.836,526 1.237,527 1.27,528 1.353,529 0.847,530 1.298,531 0.997,532 0.968,533 1.289,534 1.142,535 0.842,536 1.072,537 0.967,538 0.888,539 1.095,540 1.047,541 0.925,542 1.06,543 1.021,544 1.156,545 1.033,546 1.131,547 1.331,548 1.076,549 4,550 0.033,551 2.889,552 2.514,553 1.779,554 0.934,555 0.486,556 0.338,557 0.199,558 0.065,559 4213,560 12206,561 2.017,562 45,563 2,564 10,567 1,568 2,569 3,572 1.65,573 1.833,574 3.084,575 -0.265,577 1,579 1,582 67.064,583 1.677,584 3.657,585 4.515,586 4.815,587 4.815,588 4.815,589 2.629,590 4.369,591 4.421,592 3.195,593 738.141,594 7.627,595 7726.19,596 1,597 1,598 1,599 1,600 212.877,601 1.544,602 4.36,603 0.167,604 0.008,605 0.083,606 0.066,607 0.049,608 0.031,609 0.022,610 0.02,611 0.014,612 0.009,613 0.47,614 0.67,615 1,616 1.52,617 98.939,618 -0.043,619 -0.246,620 0.03,621 -0.09,622 -0.046,623 -0.02,624 0.211,625 0.223,626 0.17,627 0.259,628 0.193,629 0.244,630 0.032,631 0.099,632 0.179,633 0.165,634 0.037,635 0.186,636 -0.232,637 -0.071,638 -0.134,639 -0.051,640 -0.173,641 -0.15,642 0.071,643 -0.222,644 -0.13,645 -0.314,646 0.065,647 -0.306,648 -0.05,649 -0.091,650 -0.094,651 -0.127,652 -0.016,653 -0.053,654 0.061,655 -0.006,656 -0.071,657 -0.06,658 -0.027,659 -0.061,660 -0.063,661 -0.252,662 -0.036,663 -0.165,664 -0.053,665 -0.087,666 2.193,667 4.429,668 0.545,669 17.752,670 1.009,671 1.129,672 2.055,673 4.223,674 0.672,675 3.219,676 3.584,677 3.951,678 4.304,679 4.543,680 4.718,681 4.89,682 4.977,683 4.97,684 4.89,685 5.022,686 0.638,687 319.82,688 3.219,689 4.779,690 5.673,691 6.597,692 7.521,693 8.459,694 9.395,695 10.339,696 11.281,697 12.228,698 7.5,705 1,706 1,707 1,714 2,715 2,720 4,721 1,722 10,725 1,737 1,740 1,741 40,743 12,744 1,745 24,747 42,748 16,749 8,750 4,751 2,752 1,756 3,757 6,758 1,763 1,767 2,770 2,772 10,773 6,777 2,782 1,785 1,786 2,790 1,793 18,794 4,795 1,796 6,797 1,802 3,808 0.333,809 2,824 1,828 2,829 1,831 1,832 1,835 1,859 1,864 3,865 1,868 22,876 3,877 1,878 1,892 1,893 5,896 1,898 1,901 12,902 8.293,903 4.972,904 2.576,907 2.463,908 1.345,909 0.981,910 4.149,911 9.595,912 3.466,913 4.131,914 4.813,915 5.496,916 6.069,917 6.535,918 6.995,919 7.381,920 7.554,921 7.66,922 1,923 38,924 8.12,926 3.422,927 0.026,929 7.77,931 15.504,933 12.658,936 2.27,937 49.944,940 1,941 200.109,942 80.668,943 36.695,944 39.149,945 36.145,948 80.668,949 275.402,950 36.695,951 25.618,952 25.186,953 18.952,954 27.902,955 44.187,956 11.663,957 200.109,958 39.149,959 200.109,960 117.363,961 36.145,962 39.149,964 164.795,965 71.458,968 52.695,969 64.668,970 39.149,972 200.109,973 72.84,974 119.817,977 200.109,978 36.097,979 46.47,980 18.011,981 92.079,982 200.109,983 72.84,984 119.817,986 0.58,987 0.364,988 0.207,989 0.117,990 18,991 9,992 0.071,993 3,994 2,995 1.333,996 3.256,997 181.179,998 0.333,999 12,1000 98.107,1005 15.379,1006 5.935,1007 2.438,1008 1.99,1009 70.941,1010 3.66,1015 3.2,1016 2.127,1017 18.011,1018 392.765,1019 31,1024 11.429,1027 4.592,1028 0.6,1031 40.353,1032 45.179,1034 0.315,1035 0.687,1036 0.848,1037 0.905,1038 0.905,1039 0.905,1040 4.732,1041 0.997,1042 5.694,1043 3.528,1044 4.263,1045 4.816,1046 2.441,1047 6.611,1048 4.148,1049 5.981,1050 0.705,1051 7.321,1052 1.985,1053 4.007,1054 4.89,1055 1.784,1056 7.727,1057 3.828,1058 7.339,1059 0.47,1060 9.051,1061 1.547,1062 5.948,1063 7.158,1064 3.546,1065 10.914,1066 5.74,1067 8.74,1068 0.111,1069 10.841,1070 0.885,1071 6.538,1072 8.08,1073 3.59,1074 12.882,1075 6.271,1076 10.176,1077 -0.293,1078 12.67,1079 0.188,1080 7.98,1081 9.875,1082 4.918,1083 15.618,1084 7.69,1085 11.639,1086 -0.46,1087 14.526,1088 -0.603,1089 8.938,1090 11.171,1091 5.289,1092 17.932,1093 8.602,1094 13.122,1095 -0.786,1096 16.403,1097 -1,1098 10.218,1099 12.81,1100 6.39,1101 20.529,1102 9.857,1103 3.447,1104 -1.099,1105 18.296,1106 -1.965,1107 11.333,1108 14.268,1109 6.93,1110 22.981,1111 10.933,1112 2.844,1113 12.743,1114 20.203,1115 -2.632,1116 12.565,1117 15.856,1118 7.902,1119 25.535,1120 12.138,1121 2.429,1122 9.698,1123 22.12,1124 4.831,1125 13.745,1126 17.381,1127 8.539,1128 28.041,1129 13.283,1130 2.211,1131 7.822,1132 24.046,1133 3.711,1134 14.969,1135 18.956,1136 9.436,1137 30.585,1138 14.476,1139 1.987,1140 6.897,1141 25.98,1142 3.152,1143 16.177,1144 20.509,1145 10.13,1146 33.113,1147 15.65,1148 1.552,1149 5.607,1150 27.92,1151 2.863,1152 17.401,1153 22.08,1154 10.981,1155 35.654,1156 16.843,1157 1.358,1158 4.688,1159 29.865,1160 2.634,1161 18.622,1162 23.645,1163 11.71,1164 38.191,1165 18.029,1166 4298,1167 7444,1168 15.433,1169 26.875,1170 36.307,1171 37.997,1172 39.44,1173 36.265,1174 36.225,1175 46.95,1176 7.077,1177 111.175,1178 33.977,1179 5.704,1180 5.703,1181 6.987,1182 5.468,1183 5.447,1184 7.831,1185 3.889,1186 20.431,1187 5.319,1188 12.845,1189 1.513,1190 1.583,1191 1.643,1192 1.511,1193 1.509,1194 1.956,1195 0.295,1196 4.632,1197 1.416,1198 4.188,1199 4.215,1200 4.214,1201 4.107,1202 7.435,1203 4.116,1204 3.715,1205 3.753,1206 3.749,1207 3.593,1208 5.04,1209 3.597,1210 3.552,1211 3.615,1212 3.464,1213 3.289,1214 4.695,1215 3.306,1216 3.419,1217 3.499,1218 3.416,1219 3.203,1220 4.421,1221 3.215,1222 3.32,1223 3.405,1224 3.218,1225 3.107,1226 4.379,1227 3.109,1228 2.981,1229 3.031,1230 3.051,1231 2.853,1232 4.133,1233 2.834,1234 2.934,1235 2.98,1236 2.779,1237 2.702,1238 3.938,1239 2.704,1240 2.745,1241 2.852,1242 2.694,1243 2.527,1244 3.813,1245 2.532,1246 0.202,1247 0.154,1248 0.301,1249 0.184,1250 0.144,1251 4.856,1252 0.201,1253 3.703,1254 0.091,1255 7.221,1256 0.531,1257 4.41,1258 0.138,1259 3.447,1260 4.831,1261 2.186,1262 12.743,1263 3.319,1264 1.933,1265 1.92,1266 1.99,1267 2.028,1268 1.226,1269 2.02,1270 1.664,1271 1.613,1272 1.856,1273 1.848,1274 1.04,1275 1.848,1276 1.554,1277 1.494,1278 1.763,1279 1.75,1280 0.99,1281 1.754,1282 1.418,1283 1.35,1284 1.698,1285 1.727,1286 0.859,1287 1.721,1288 1.369,1289 1.286,1290 1.666,1291 1.582,1292 0.681,1293 1.621,1294 1.129,1295 1.061,1296 1.393,1297 1.329,1298 0.533,1299 1.352,1300 0.875,1301 0.832,1302 1.068,1303 1.205,1304 0.136,1305 1.178,1306 0.737,1307 0.692,1308 1.012,1309 0.921,1310 0.1,1311 0.961,1312 3.892,1314 5.242,1315 3.045,1316 6.797,1317 5.533,1318 8.457,1319 7.751,1320 10.182,1322 5.575,1323 6.506,1328 2.614,1329 2.426,1330 5.224,1340 25.536,1341 67.064,1342 146.274,1343 180.612,1344 192.612,1345 192.612,1346 192.612,1347 33.421,1348 7.132,1349 55.62,1350 55.62,1351 16,1352 12.72,1353 3.7,1354 3,1355 34.322,1356 65,1357 74,1358 0.275,1359 161.212,1360 276.43,1361 385.116,1362 9884,1363 2.5,1364 15.853,1365 0.721,1366 0.619,1367 16.353,1368 13.621,1369 10.579,1370 0.441,1371 0.32,1372 7.226,1373 9.86,1374 6.942,1375 5.769,1376 10.868,1377 7.688,1378 9.413,1379 0.269,1380 0.16,1381 9.747,1382 5.597,1383 8.464,1384 0.166,1385 0.086,1386 8.892,1387 4.385,1388 7.305,1389 0.1,1390 0.047,1391 7.704,1392 3.415,1393 5.916,1394 0.064,1395 0.025,1396 6.328,1397 2.35,1398 0.412,1399 69.677,1400 0.255,1401 21.14,1402 0.811,1403 118,1404 359.298,1405 145.796,1406 371.815,1407 504.57,1408 348,1409 145,1410 356.462,1411 171.147,1412 367.207,1413 549.08,1414 346,1415 6.796}
{0 CHEMBL155371,1 1.373,2 5.533,3 2.325,4 5.405,5 57.227,6 7.112,7 0.375,8 3.46,9 3.554,10 2.988,11 2.976,12 4.563,13 2.958,14 4.017,15 4.182,16 3.329,17 3.351,18 5.01,19 3.325,20 4.142,21 4.285,22 3.475,23 3.459,24 5.311,25 3.429,26 4.249,27 4.412,28 3.321,29 3.405,30 5.388,31 3.355,32 4.179,33 4.366,34 2.999,35 3.257,36 5.238,37 3.148,38 4.086,39 4.365,40 2.46,41 3.025,42 4.984,43 2.796,44 3.792,45 4.138,46 1.662,47 2.478,48 4.58,49 2.19,50 3.047,51 3.405,52 0.655,53 1.712,54 3.829,55 1.381,56 0.015,57 0.363,58 6.239,59 3.04,60 4.519,61 3.719,62 0.181,63 0.581,64 12.376,65 4.863,66 17.443,67 6.093,68 0.196,69 0.668,70 13.653,71 5.589,72 18.698,73 7.047,74 0.258,75 0.692,76 16.07,77 5.731,78 37.416,79 7.131,80 0.374,81 0.63,82 15.4,83 5.288,84 35.19,85 6.809,86 0.275,87 0.57,88 14.432,89 5.006,90 30.618,91 7.228,92 0.228,93 0.383,94 11.614,95 3.386,96 30.444,97 5.122,98 0.113,99 0.173,100 5.469,101 1.549,102 18.141,103 2.4,104 21,105 23,106 0.27,107 0.596,108 0.763,109 0.79,110 0.804,111 0.845,112 2.798,113 0.931,114 -3.34,115 -3.33,116 -3.19,121 41.4,122 1,123 1,124 1,126 2,144 2,145 2,146 2,159 1,176 6,180 4,187 6,191 1,192 9,200 5,206 5,214 3,218 1,219 2,227 1,231 1,232 1,281 184,282 10.085,283 10.085,284 10.085,285 10.085,286 10.085,287 9.266,288 12.671,289 5.656,290 10.398,291 7.705,292 7.705,293 7.705,294 7.705,295 7.705,296 6.238,297 13.324,298 2.434,299 7.998,300 3.485,301 1.828,302 0.975,303 0.837,304 0.768,305 0.561,306 3.435,311 1,312 1,313 169,314 2.236,317 27.548,318 33.535,321 51.563,325 0.836,326 16.524,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 33,338 83,339 4.583,340 3.797,341 6.871,342 4.26,343 3.265,344 4.249,345 1.277,346 11.419,347 3.255,348 3.966,349 3.256,350 6.17,351 3.652,352 2.682,353 3.315,354 0.86,355 8.865,356 2.586,357 3.2,358 2.477,359 5.271,360 2.861,361 1.889,362 2.395,363 0.86,364 5.905,365 1.833,366 3.087,367 2.052,368 4.879,369 2.802,370 1.819,371 2.226,373 5.203,374 1.781,375 2.444,376 1.938,377 4.044,378 2.139,379 1.168,380 1.357,382 2.937,383 1.117,384 1.974,385 1.322,386 3.239,387 1.7,388 0.793,389 0.912,391 1.517,392 0.71,393 1.517,394 1.023,395 2.665,396 1.201,397 0.317,398 0.357,400 0.443,401 0.275,402 1.109,403 0.481,404 2.397,405 0.803,406 -0.199,407 -0.239,409 -0.413,410 -0.197,411 0.77,412 0.036,413 2.382,414 0.415,415 -0.514,416 -0.627,418 -0.93,419 -0.469,420 0.33,421 -0.688,422 2.18,423 0.072,424 -0.913,425 -1.052,427 -2.394,428 -0.893,429 0.003,430 -0.76,431 1.745,432 -0.272,433 -1.308,434 -1.696,436 -3.466,437 -1.292,438 -0.402,439 -1.152,440 1.267,441 -0.622,442 -1.548,443 -1.703,445 -4.388,446 -1.468,447 -0.5,448 -1.253,449 1.102,450 -0.786,451 -1.716,452 -1.959,454 -4.935,455 -1.511,456 -0.592,457 -1.582,458 0.832,459 -0.863,460 -1.795,461 -2.183,462 -0.86,463 -5.92,464 -1.81,465 -0.657,466 -1.746,467 0.505,468 -0.962,469 -1.94,470 -2.353,471 -0.86,472 -6.345,473 -1.917,474 7,475 0.467,476 0.401,477 0.027,478 17.75,479 1.183,480 8.5,481 0.567,482 9.25,483 0.617,484 10.971,485 0.731,486 17,487 0.586,488 11.114,489 0.741,490 3.557,491 0.237,492 3.628,493 0.242,494 0.262,496 0.429,501 0.74,502 1.262,503 0.791,504 1.231,505 0.578,506 1.055,507 1.136,508 0.753,509 0.792,510 0.73,511 0.74,512 0.695,513 0.858,514 1.196,515 0.861,516 1.171,517 1.001,518 1.041,519 1.472,520 1.177,521 1.221,522 1.162,523 1.688,524 1.142,525 1.333,526 1.154,527 1.383,528 1.175,529 0.929,530 1.271,531 0.582,532 1.125,533 1.071,534 1.157,535 0.483,536 1.209,537 0.882,538 0.618,539 0.873,540 0.636,541 1.187,542 0.735,543 0.845,544 0.567,545 0.892,546 0.594,547 1.807,548 0.728,549 3,551 2.444,552 1.764,553 1.044,554 0.65,555 0.137,559 1297,560 3677,561 1.955,562 48.3,563 5,564 8,568 1,572 1.54,573 1.765,574 2.524,575 -0.781,577 1,579 1,582 39.804,583 1.373,584 3.03,585 3.883,586 4.021,587 4.09,588 4.297,589 1.889,590 3.774,591 3.878,592 2.56,593 268.803,594 6.543,595 2172.35,597 1,600 140.881,601 1.566,602 3.796,603 0.188,605 0.106,606 0.071,607 0.052,608 0.05,609 0.023,613 0.489,614 1,615 1,616 1.157,617 56.556,618 -0.01,619 -0.115,620 0.058,621 -0.097,622 -0.021,623 -0.019,624 -0.131,625 0.289,626 0.156,627 0.3,628 -0.047,629 0.291,630 0.106,631 -0.141,632 0.064,633 -0.129,634 0.048,635 -0.055,636 -0.223,637 -0.183,638 -0.235,639 -0.188,640 -0.239,641 -0.21,642 -0.119,643 -0.191,644 -0.395,645 -0.226,646 -0.073,647 -0.347,648 0.135,649 -0.224,650 -0.122,651 -0.236,652 0.151,653 -0.234,654 -0.039,655 0.19,656 0.152,657 0.201,658 -0.033,659 0.215,660 -0.039,661 0.218,662 0.138,663 0.225,664 -0.215,665 0.22,666 1.467,667 4.768,668 0.6,669 7.556,670 1.006,671 1.122,672 2.115,673 4.473,674 0.645,675 2.833,676 3.178,677 3.526,678 3.784,679 3.932,680 3.951,681 3.912,682 3.689,683 3.091,684 2.398,685 3.508,686 0.615,687 206.26,688 2.833,689 4.369,690 5.252,691 6.155,692 7.059,693 7.968,694 8.876,695 9.787,696 10.696,697 11.607,715 2,720 4,722 6,727 1,739 2,741 29,743 7,744 1,745 16,747 30,748 12,749 6,750 4,751 2,752 1,756 2,757 3,763 1,767 1,768 1,770 1,772 7,773 5,774 1,777 1,782 1,786 1,790 1,793 14,794 3,796 3,808 0.5,809 3,828 1,829 1,832 1,859 1,864 3,868 15,876 1,878 2,880 1,893 10.3,896 1,898 2,901 8.5,902 6.25,903 3.472,904 1.694,907 1.403,908 1.239,909 0.921,910 2.592,911 7.275,912 3.045,913 3.624,914 4.245,915 4.761,916 5.23,917 5.442,918 5.595,919 5.486,920 5.03,921 4.407,922 0.75,923 25,924 5.546,925 -0.001,926 2.311,927 0.026,929 7.844,931 10.538,933 8.495,936 2.344,937 35.167,938 0.004,941 164.795,942 74.07,945 47.145,948 74.07,949 211.94,951 30.591,952 2.535,953 18.952,954 30.278,955 38.858,957 164.795,959 164.795,960 74.07,961 47.145,964 164.795,965 47.145,968 11.36,969 62.71,972 164.795,973 47.145,974 74.07,977 164.795,978 24.526,979 49.544,981 47.145,982 164.795,983 47.145,984 74.07,986 0.581,987 0.384,988 0.212,989 0.109,990 12,991 6,992 0.067,993 2,994 1,995 1.222,996 2.571,997 101.179,998 0.222,999 9,1000 58.603,1005 10.34,1006 3.761,1007 1.482,1009 47.145,1010 3.607,1015 3.153,1018 286.01,1019 20,1024 11.768,1028 0.2,1031 29.167,1032 32.535,1034 0.283,1035 0.624,1036 0.799,1037 0.828,1038 0.842,1039 0.885,1040 4.297,1041 -0.199,1042 5.273,1043 0.443,1044 3.85,1045 4.304,1046 1.977,1047 6.168,1048 3.801,1049 5.514,1050 -0.514,1051 6.897,1052 -0.413,1053 3.611,1054 4.29,1056 7.256,1057 3.578,1058 6.851,1059 -0.913,1060 8.621,1061 -0.93,1062 5.525,1063 6.517,1064 2.142,1065 10.385,1066 5.459,1067 8.229,1068 -1.308,1069 10.401,1070 -2.394,1071 6.111,1072 7.314,1074 12.273,1075 6.055,1076 9.641,1077 -1.548,1078 12.215,1079 -3.466,1080 7.531,1081 9.064,1082 2.426,1083 14.939,1084 7.46,1085 11.077,1086 -1.716,1087 14.051,1088 -4.388,1089 8.465,1090 10.207,1092 17.143,1093 8.4,1094 12.531,1095 -1.795,1096 15.904,1097 -4.935,1098 9.715,1099 11.782,1100 2.796,1101 19.656,1102 9.645,1103 3.265,1104 -1.94,1105 17.769,1106 -5.92,1107 10.791,1108 13.081,1110 21.99,1111 10.725,1112 2.682,1113 11.419,1114 19.644,1115 -6.345,1116 11.985,1117 14.583,1118 3.22,1119 24.449,1120 11.917,1121 1.889,1122 8.865,1123 21.527,1124 4.249,1125 13.119,1126 15.955,1128 26.838,1129 13.053,1130 1.819,1131 5.905,1132 23.416,1133 3.315,1134 14.297,1135 17.426,1136 3.675,1137 29.278,1138 14.231,1139 1.168,1140 5.203,1141 25.31,1142 2.395,1143 15.455,1144 18.835,1146 31.691,1147 15.389,1148 0.793,1149 2.937,1150 27.209,1151 2.226,1152 16.63,1153 20.291,1154 4.146,1155 34.126,1156 16.564,1157 0.317,1158 1.517,1159 29.111,1160 1.357,1161 17.799,1162 21.718,1164 36.55,1165 17.733,1166 1416,1167 2433,1168 10.057,1169 18.693,1170 24.044,1171 25.491,1172 26.447,1173 23.754,1174 23.867,1175 29.621,1176 5.995,1177 72.581,1178 23.114,1179 5.416,1180 5.797,1181 6.419,1182 5.26,1183 5.265,1184 7.249,1185 2.555,1186 18.919,1187 5.255,1188 8.54,1189 1.503,1190 1.593,1191 1.653,1192 1.485,1193 1.492,1194 1.851,1195 0.375,1196 4.536,1197 1.445,1198 4.039,1199 4.052,1200 3.997,1201 3.965,1202 7.426,1203 3.97,1204 3.569,1205 3.602,1206 3.474,1207 3.418,1208 4.911,1209 3.422,1210 3.253,1211 3.317,1212 3.077,1213 2.995,1214 4.495,1215 3.005,1216 3.209,1217 3.285,1218 2.999,1219 2.934,1220 4.305,1221 2.936,1222 2.929,1223 3.028,1224 2.745,1225 2.753,1226 3.993,1227 2.724,1228 2.891,1229 2.922,1230 2.679,1231 2.669,1232 3.537,1233 2.667,1234 2.497,1235 2.551,1236 2.326,1237 2.251,1238 3.328,1239 2.264,1240 2.313,1241 2.383,1242 2.079,1243 2.121,1244 2.961,1245 2.105,1246 0.286,1247 0.237,1248 0.429,1249 0.266,1250 0.204,1251 4.583,1252 0.266,1253 3.797,1254 0.08,1255 6.871,1256 0.714,1257 4.26,1258 0.203,1259 3.265,1260 4.249,1261 1.277,1262 11.419,1263 3.255,1264 1.88,1265 1.872,1266 1.959,1267 1.978,1268 1.21,1269 1.969,1270 1.644,1271 1.599,1272 1.868,1273 1.808,1274 1.067,1275 1.829,1276 1.219,1277 1.163,1278 1.575,1279 1.525,1280 0.584,1281 1.54,1282 1.19,1283 1.114,1284 1.567,1285 1.508,1286 0.574,1287 1.527,1288 0.983,1289 0.91,1290 1.348,1291 1.202,1292 0.488,1293 1.258,1294 0.864,1295 0.792,1296 1.079,1297 1.127,1298 0.163,1299 1.11,1300 0.571,1301 0.504,1302 0.825,1303 0.788,1305 0.806,1306 0.076,1307 0.014,1308 0.519,1309 0.418,1311 0.438,1312 3.497,1314 4.828,1315 2.398,1316 6.382,1317 4.844,1318 8.034,1319 7.018,1320 9.738,1322 5.143,1328 0.745,1330 10.494,1332 0.056,1340 17.832,1341 39.804,1342 87.862,1343 112.617,1344 116.617,1345 118.617,1346 124.617,1347 24.39,1348 5.872,1349 35.53,1350 35.53,1351 11,1352 12.122,1353 3,1354 2.322,1355 23.332,1356 32,1357 30,1358 0.407,1359 111.371,1360 196.35,1361 263.505,1362 1878,1364 11,1365 0.733,1366 0.611,1367 11,1368 9.164,1369 7.185,1370 0.449,1371 0.31,1372 4.87,1373 6.82,1374 4.639,1375 3.897,1376 7.185,1377 4.967,1378 6.218,1379 0.27,1380 0.165,1381 6.218,1382 3.797,1383 5.789,1384 0.175,1385 0.087,1386 5.789,1387 2.872,1388 4.713,1389 0.11,1390 0.049,1391 4.713,1392 2.089,1393 3.543,1394 0.071,1395 0.027,1396 3.543,1397 1.358,1398 0.58,1399 45.918,1400 0.315,1401 14.537,1402 1.305,1403 78,1404 257.207,1405 85.861,1406 236.327,1407 316.98,1408 222,1409 95,1410 222.727,1411 103.748,1412 226.875,1413 332.5,1414 210,1415 6.42}
{0 CHEMBL155392,1 1.545,2 11.273,3 0.661,4 0.437,5 85.678,6 6.873,7 0.227,8 3.841,9 3.993,10 3.31,11 3.248,12 5.002,13 3.234,14 4.357,15 4.595,16 3.535,17 3.555,18 5.321,19 3.513,20 4.528,21 4.76,22 3.556,23 3.674,24 5.569,25 3.585,26 4.663,27 4.953,28 3.562,29 3.705,30 5.726,31 3.588,32 4.553,33 4.799,34 3.377,35 3.654,36 5.573,37 3.531,38 4.536,39 4.829,40 3.181,41 3.533,42 5.518,43 3.37,44 4.285,45 4.575,46 3.071,47 3.312,48 5.253,49 3.177,50 4.232,51 4.536,52 3.024,53 3.265,54 5.109,55 3.132,56 0.029,57 0.641,58 9.929,59 3.136,60 13.341,61 5.051,62 0.229,63 0.881,64 18.036,65 4.661,66 19.009,67 7.842,68 0.349,69 0.989,70 21.556,71 6.136,72 36.131,73 9.886,74 0.347,75 1.035,76 25.134,77 7.142,78 62.981,79 11.624,80 0.323,81 0.95,82 22.311,83 6.436,84 48.467,85 10.166,86 0.344,87 0.871,88 22.246,89 5.772,90 58.162,91 9.952,92 0.238,93 0.701,94 17.173,95 4.49,96 38.822,97 7.689,98 0.237,99 0.644,100 16.389,101 4.386,102 30.171,103 7.481,104 52,105 27,106 0.272,107 0.58,108 0.726,109 0.807,110 0.815,111 0.823,112 3.144,113 0.954,114 -0.13,115 -0.28,116 -0.46,121 34.1,126 3,127 4,138 1,141 1,144 2,154 2,160 2,176 1,180 4,184 1,185 2,191 1,192 1,195 1,196 1,197 1,205 1,206 1,209 4,211 1,223 1,224 1,235 2,237 1,247 2,249 1,256 1,259 1,261 1,264 1,272 1,274 1,277 1,281 666,282 14.801,283 14.801,284 14.801,285 14.801,286 14.801,287 13.714,288 23.481,289 9.05,290 15.138,291 10.67,292 10.67,293 10.67,294 10.67,295 10.67,296 8.781,297 30.691,298 4.033,299 11.159,300 3.914,301 2.159,302 1.33,303 0.87,304 0.824,305 0.779,306 3.785,311 1,312 1,313 483,314 4.359,317 76.828,325 1.818,326 18.785,329 1,330 1,331 0.83,332 0.9,333 1,334 1,335 1,336 0.96,337 48,338 248,339 4.306,340 4.254,341 6.109,342 3.764,343 2.801,344 3.735,345 2.689,346 8.856,347 2.739,348 4.124,349 3.869,350 5.675,351 3.753,352 2.763,353 3.723,354 1.539,355 7.971,356 2.695,357 3.372,358 3.009,359 5.03,360 3.188,361 2.243,362 2.507,363 0.916,364 6.084,365 2.123,366 3.32,367 2.879,368 4.366,369 2.768,370 1.828,371 2.025,372 0.657,373 4.348,374 1.711,375 3.303,376 2.628,377 4.336,378 2.643,379 1.693,380 1.945,381 0.647,382 4.116,383 1.603,384 2.918,385 2.115,386 3.659,387 2.372,388 1.429,389 1.571,390 0.247,391 3.093,392 1.343,393 2.631,394 1.925,395 3.281,396 1.807,397 0.856,398 1.303,399 0.172,400 1.85,401 0.811,402 2.218,403 1.675,404 3.061,405 1.65,406 0.686,407 1.09,409 1.511,410 0.661,411 2.016,412 1.174,413 2.618,414 1.547,415 0.618,416 0.812,418 0.791,419 0.572,420 1.806,421 0.792,422 2.549,423 1.175,424 0.247,425 0.288,427 0.372,428 0.229,429 1.197,430 0.475,431 2.393,432 0.81,433 -0.127,434 -0.172,436 -0.216,437 -0.119,438 0.834,439 0.104,440 2.289,441 0.611,442 -0.34,443 -0.408,445 -0.766,446 -0.323,447 0.643,448 -0.119,449 1.748,450 0.335,451 -0.592,452 -0.857,454 -1.11,455 -0.547,456 0.143,457 -0.129,458 1.392,459 -0.1,460 -1,461 -1,463 -2,464 -0.9,466 -0.6,467 1.144,468 -0.101,469 -1.061,470 -1.185,472 -2.469,473 -1.017,474 10.233,475 0.465,476 0.4,477 0.018,478 25.25,479 1.148,480 11,481 0.5,482 14.25,483 0.648,484 16.854,485 0.766,486 25.167,487 0.572,488 18.301,489 0.832,490 5.437,491 0.247,492 5.163,493 0.235,494 0.225,496 0.235,501 1.025,502 1.703,503 0.914,504 1.36,505 0.512,506 1.146,507 1.286,508 0.939,509 0.957,510 0.85,511 0.488,512 0.835,513 1.189,514 1.214,515 1.088,516 1.157,517 0.612,518 1.135,519 0.726,520 0.89,521 0.813,522 0.954,523 0.424,524 0.907,525 1.454,526 1.072,527 1.238,528 1.14,529 1.2,530 1.18,531 0.957,532 0.981,533 1.131,534 1.057,535 1.463,536 1.11,537 0.91,538 0.98,539 1.021,540 1.019,541 0.928,542 1.03,543 0.791,544 0.8,545 0.849,546 0.81,547 0.757,548 0.825,549 4.5,550 0.11,551 1.778,552 1.444,553 0.685,554 0.462,555 0.178,556 0.166,557 0.148,558 0.125,559 5047,560 14977,561 1.873,562 50,564 19,567 3,572 1.637,573 1.737,574 3.457,575 1.114,577 1,579 1,582 67.994,583 1.545,584 3.3,585 4.129,586 4.59,587 4.635,588 4.681,589 2.902,590 3.823,591 4.433,592 3.672,593 848.21,594 7.57,595 10348.8,597 1,600 240.215,601 1.449,602 4.374,603 0.205,604 0.007,605 0.066,606 0.056,607 0.026,608 0.022,609 0.011,610 0.011,611 0.01,612 0.008,613 0.421,614 0.33,615 1,616 2.666,617 105.696,618 -0.084,619 -0.365,620 0.024,621 -0.181,622 0.07,623 -0.073,624 -0.156,625 0.169,626 0.036,627 0.141,628 0.01,629 0.135,630 0.011,631 -0.171,632 -0.103,633 -0.122,634 0.065,635 -0.14,636 0.174,637 0.04,638 0.161,639 0.016,640 0.316,641 0.075,642 -0.239,643 -0.082,644 -0.253,645 -0.119,646 -0.207,647 -0.19,648 -0.044,649 -0.052,650 -0.157,651 -0.117,652 -0.229,653 -0.151,654 -0.011,655 -0.033,656 -0.046,657 -0.075,658 -0.017,659 -0.068,660 0.06,661 0.096,662 0.124,663 0.14,664 -0.017,665 0.15,666 1.623,667 2.802,668 0.227,669 20.504,670 1,671 1.148,672 -1.096,673 1.202,674 0.627,675 3.135,676 3.332,677 3.466,678 3.584,679 3.434,680 3.367,681 3.332,682 3.178,683 3.219,684 3.258,685 6.943,686 0.592,687 302.43,688 3.135,689 4.595,690 5.371,691 6.184,692 6.976,693 7.794,694 8.593,695 9.412,696 10.215,697 11.034,698 13.6,700 3,701 1,707 2,715 2,718 1,720 2,722 5,741 44,743 8,745 22,747 44,748 15,749 4,756 1,757 1,771 2,772 6,773 7,777 1,786 2,789 1,790 1,792 1,793 22,794 7,795 3,796 7,802 6,808 1,809 1,828 1,838 2,850 1,853 3,855 1,859 1,864 3,868 22,876 4,877 3,881 1,885 2,889 2,891 2,893 2.3,898 1,901 12.667,902 8.683,903 5.361,904 2.399,907 1.451,908 1.244,909 0.903,910 8.096,911 7.401,912 3.418,913 3.79,914 4.261,915 4.683,916 4.534,917 4.451,918 4.479,919 4.261,920 4.393,921 4.761,922 1,923 26,924 8.029,926 3.057,927 0.026,929 7.894,931 15.12,933 11.005,936 2.394,937 52.667,941 223.651,942 102.179,943 119.275,945 9.507,948 102.179,949 233.158,950 119.275,951 25.189,952 8.423,953 72.985,954 33.203,955 80.264,956 10.898,957 223.651,959 223.651,960 221.454,961 9.507,964 223.651,965 9.507,968 127.698,969 93.756,972 223.651,973 128.783,974 102.179,977 223.651,978 24.834,979 47.266,980 87.236,981 71.626,982 223.651,983 128.783,984 102.179,986 0.544,987 0.312,988 0.167,989 0.069,990 8,991 5,992 0.205,993 9,995 1,996 3.482,997 140.774,999 5,1000 92.107,1005 18.063,1006 9.86,1007 6.558,1009 128.783,1010 3.935,1013 5.684,1015 1.823,1017 54.032,1018 454.613,1019 29.5,1028 0.486,1031 44.007,1032 50.521,1034 0.283,1035 0.605,1036 0.756,1037 0.841,1038 0.849,1039 0.857,1040 4.627,1041 0.686,1042 5.303,1043 1.85,1044 4.007,1045 4.472,1046 3.158,1047 5.989,1048 3.927,1049 5.802,1050 0.618,1051 6.79,1052 1.511,1053 3.434,1054 4.06,1055 0.325,1056 6.72,1057 3.341,1058 7.073,1059 0.247,1060 8.375,1061 0.791,1062 5.476,1063 6.512,1064 4.775,1065 9.696,1066 5.338,1067 8.378,1068 -0.127,1069 10.018,1070 0.372,1071 5.74,1072 7.022,1073 0.393,1074 11.262,1075 5.597,1076 9.715,1077 -0.34,1078 11.7,1079 -0.216,1080 7.204,1081 8.856,1082 6.666,1083 13.72,1084 7.023,1085 11.075,1086 -0.592,1087 13.408,1088 -0.766,1089 7.86,1090 9.786,1091 0.384,1092 15.624,1093 7.674,1094 12.453,1095 -1,1096 15.135,1097 -1.11,1098 9.08,1099 11.35,1100 8.619,1101 17.899,1102 8.86,1103 2.801,1104 -1.061,1105 16.876,1106 -2,1107 9.925,1108 12.479,1109 0.351,1110 19.947,1111 9.696,1112 2.763,1113 8.856,1114 18.627,1115 -2.469,1116 11.037,1117 13.916,1118 10.59,1119 22.152,1120 10.778,1121 2.243,1122 7.971,1123 20.387,1124 3.735,1125 11.974,1126 15.141,1127 0.312,1128 24.263,1129 11.701,1130 1.828,1131 6.084,1132 22.154,1133 3.723,1134 13.036,1135 16.517,1136 12.566,1137 26.441,1138 12.737,1139 1.693,1140 4.348,1141 23.925,1142 2.507,1143 14.017,1144 17.788,1145 0.273,1146 28.581,1147 13.7,1148 1.429,1149 4.116,1150 25.702,1151 2.025,1152 15.058,1153 19.134,1154 14.544,1155 30.75,1156 14.716,1157 0.856,1158 3.093,1159 27.482,1160 1.945,1161 16.06,1162 20.427,1163 0.236,1164 32.904,1165 15.699,1166 5373,1167 9372,1168 13.811,1169 27.58,1170 33.205,1171 35.495,1172 32.275,1173 30.33,1174 30.329,1175 37.999,1176 13.739,1177 77.984,1178 28.974,1179 5.232,1180 6.031,1181 5.882,1182 4.803,1183 4.788,1184 6.461,1185 5.379,1186 14.733,1187 4.649,1188 13.82,1189 1.509,1190 1.613,1191 1.467,1192 1.379,1193 1.379,1194 1.727,1195 0.624,1196 3.545,1197 1.317,1198 3.958,1199 3.981,1200 3.901,1201 3.796,1202 6.856,1203 3.817,1204 3.786,1205 3.842,1206 3.745,1207 3.629,1208 6.782,1209 3.653,1210 3.581,1211 3.669,1212 3.438,1213 3.36,1214 5.039,1215 3.367,1216 3.486,1217 3.564,1218 3.341,1219 3.268,1220 4.508,1221 3.272,1222 3.273,1223 3.373,1224 3.116,1225 3.009,1226 4.282,1227 3.016,1228 3.113,1229 3.215,1230 2.915,1231 2.896,1232 4.196,1233 2.884,1234 2.912,1235 3.009,1236 2.913,1237 2.652,1238 3.884,1239 2.713,1240 2.874,1241 2.981,1242 2.578,1243 2.618,1244 3.621,1245 2.57,1246 0.196,1247 0.193,1248 0.278,1249 0.171,1250 0.127,1251 4.306,1252 0.17,1253 4.254,1254 0.122,1255 6.109,1256 0.403,1257 3.764,1258 0.124,1259 2.801,1260 3.735,1261 2.689,1262 8.856,1263 2.739,1264 1.72,1265 1.668,1266 1.892,1267 1.938,1268 1.117,1269 1.927,1270 1.647,1271 1.59,1272 1.867,1273 1.881,1274 1.032,1275 1.88,1276 1.601,1277 1.554,1278 1.76,1279 1.805,1280 0.875,1281 1.796,1282 1.406,1283 1.34,1284 1.65,1285 1.591,1286 0.742,1287 1.612,1288 1.277,1289 1.216,1290 1.546,1291 1.529,1292 0.657,1293 1.536,1294 1.233,1295 1.131,1296 1.475,1297 1.499,1298 0.469,1299 1.497,1300 0.934,1301 0.804,1302 1.417,1303 1.239,1304 0.449,1305 1.308,1306 0.884,1307 0.783,1308 1.229,1309 1.212,1310 0.349,1311 1.213,1312 3.807,1314 5.03,1315 2.398,1316 6.422,1317 4.595,1318 7.891,1319 6.555,1320 9.403,1322 5.658,1328 2.688,1329 9.056,1333 2.049,1338 17.604,1339 3.684,1340 26.058,1341 67.994,1342 145.218,1343 181.686,1344 201.95,1345 203.95,1346 205.95,1347 51.984,1348 5.951,1349 100.05,1350 100.05,1351 5,1352 11.62,1353 3.17,1354 3.087,1355 58.604,1356 94,1357 74,1358 0.306,1359 171.532,1360 301.11,1361 410.299,1362 2565,1364 16.372,1365 0.744,1366 0.602,1367 16.372,1368 13.233,1369 10.6,1370 0.482,1371 0.318,1372 6.842,1373 10.047,1374 6.562,1375 5.592,1376 10.6,1377 6.995,1378 8.558,1379 0.317,1380 0.183,1381 8.558,1382 4.933,1383 6.382,1384 0.206,1385 0.091,1386 6.382,1387 2.816,1388 5.066,1389 0.145,1390 0.053,1391 5.066,1392 1.84,1393 2.958,1394 0.099,1395 0.033,1396 2.958,1397 0.977,1398 0.503,1399 67.417,1400 0.269,1401 22.585,1402 0.774,1403 98,1404 321.669,1405 109.562,1406 315.553,1407 412.22,1408 292,1409 107,1410 284.723,1411 119.285,1412 292.862,1413 408.74,1414 269,1415 6.201}
{0 CHEMBL155495,1 1.631,2 11.143,3 0.392,4 0.153,5 78.702,6 7.234,7 0.238,8 3.76,9 3.895,10 3.27,11 3.162,12 4.97,13 3.167,14 4.263,15 4.47,16 3.472,17 3.445,18 5.291,19 3.422,20 4.402,21 4.627,22 3.511,23 3.526,24 5.508,25 3.469,26 4.477,27 4.732,28 3.493,29 3.568,30 5.645,31 3.481,32 4.451,33 4.701,34 3.288,35 3.537,36 5.485,37 3.418,38 4.425,39 4.71,40 3.121,41 3.398,42 5.467,43 3.257,44 4.165,45 4.444,46 3.003,47 3.188,48 5.184,49 3.074,50 4.074,51 4.349,52 2.962,53 3.132,54 5.025,55 3.024,56 0.062,57 0.568,58 8.553,59 2.986,60 13.473,61 4.369,62 0.3,63 0.772,64 16.155,65 4.503,66 25.662,67 6.782,68 0.458,69 0.864,70 18.95,71 5.136,72 39.357,73 8.132,74 0.361,75 0.912,76 20.454,77 5.98,78 58.09,79 9.315,80 0.345,81 0.858,82 20.035,83 5.831,84 49.769,85 9.104,86 0.44,87 0.775,88 20.297,89 4.976,90 65.373,91 8.523,92 0.285,93 0.622,94 15.368,95 4.009,96 41.203,97 6.61,98 0.254,99 0.555,100 14.051,101 3.988,102 32.096,103 6.357,104 43,105 25,106 0.293,107 0.632,108 0.814,109 0.85,110 0.859,111 0.859,112 3.1,113 0.926,114 0.12,115 -0.04,116 -0.24,121 35,126 2,127 4,138 1,141 1,144 2,154 2,160 2,176 1,180 4,184 1,185 2,191 1,192 1,195 1,196 1,197 1,205 1,206 1,209 4,211 1,223 1,224 1,235 2,237 1,247 2,249 1,256 1,259 1,261 1,264 1,272 1,274 1,277 1,281 592,282 14.516,283 14.516,284 14.516,285 14.516,286 14.516,287 13.429,288 21.805,289 9.005,290 14.923,291 10.135,292 10.135,293 10.135,294 10.135,295 10.135,296 8.237,297 26.821,298 3.914,299 10.653,300 3.691,301 1.801,302 0.788,303 0.588,304 0.538,305 0.538,306 3.742,311 1,312 1,313 456,314 4.123,317 73.018,325 1.769,326 21.091,329 1,330 1,331 0.83,332 0.9,333 1,334 1,335 1,336 0.96,337 46.5,338 234,339 4.306,340 4.254,341 6.109,342 3.763,343 2.801,344 3.731,345 2.689,346 8.856,347 2.719,348 4.114,349 3.869,350 5.644,351 3.73,352 2.737,353 3.723,354 1.539,355 7.872,356 2.695,357 3.323,358 2.982,359 4.899,360 3.018,361 2.051,362 2.431,363 1.151,364 5.699,365 1.983,366 3.303,367 2.879,368 4.364,369 2.7,370 1.755,371 2.019,372 0.657,373 4.125,374 1.654,375 3.259,376 2.51,377 3.672,378 2.398,379 1.465,380 1.596,381 0.647,382 3.127,383 1.363,384 2.655,385 1.981,386 3.308,387 1.972,388 1.088,389 1.303,390 0.247,391 2.061,392 0.954,393 2.283,394 1.789,395 3.136,396 1.707,397 0.8,398 1.218,400 1.514,401 0.721,402 2.062,403 1.613,404 2.964,405 1.646,406 0.677,407 0.962,409 1.491,410 0.655,411 2.008,412 1.162,413 2.618,414 1.547,415 0.618,416 0.808,418 0.791,419 0.572,420 1.801,421 0.783,422 2.488,423 1.17,424 0.244,425 0.285,427 0.362,428 0.226,429 1.19,430 0.475,431 2.344,432 0.789,433 -0.143,434 -0.199,436 -0.232,437 -0.133,438 0.733,439 0.179,440 1.802,441 0.472,442 -0.442,443 -0.512,445 -0.707,446 -0.397,447 0.595,448 -0.061,449 1.721,450 0.314,451 -0.603,452 -0.859,454 -1.018,455 -0.55,456 0.141,457 -0.119,458 1.287,459 -0.104,460 -1.061,461 -1.183,463 -2.412,464 -1.009,465 -0.092,466 -0.691,467 0.947,468 -0.487,469 -1.411,470 -1.544,472 -3.245,473 -1.294,474 9.667,475 0.46,476 0.256,477 0.012,478 24.5,479 1.167,480 11,481 0.524,482 13.5,483 0.643,484 15.116,485 0.72,486 23.933,487 0.598,488 17.359,489 0.827,490 5.354,491 0.255,492 4.89,493 0.233,494 0.186,496 0.207,501 1.003,502 1.576,503 0.86,504 1.332,505 0.525,506 1.096,507 1.404,508 0.993,509 0.997,510 0.916,511 0.62,512 0.884,513 1.044,514 1.13,515 0.989,516 0.999,517 0.586,518 0.994,519 0.756,520 0.974,521 0.926,522 1.079,523 0.492,524 1.043,525 1.054,526 1.081,527 1.156,528 1.144,529 1.119,530 1.175,531 0.94,532 0.96,533 1.126,534 0.98,535 1.493,536 1.067,537 0.891,538 0.897,539 1.017,540 0.962,541 0.972,542 0.998,543 0.824,544 0.869,545 0.863,546 0.9,547 0.835,548 0.891,549 3.5,550 0.11,551 1.778,552 1.194,553 0.65,554 0.327,555 0.137,556 0.135,557 0.123,558 0.105,559 4440,560 14904,561 1.893,562 47.5,564 16,567 3,572 1.623,573 1.775,574 3.439,575 1.156,577 1,582 65.254,583 1.631,584 3.52,585 4.534,586 4.734,587 4.784,588 4.784,589 2.915,590 3.916,591 4.366,592 3.625,593 761.214,594 7.436,595 8915.87,597 1,600 212.877,601 1.34,602 4.32,603 0.167,604 0.008,605 0.071,606 0.048,607 0.027,608 0.017,609 0.009,610 0.01,611 0.009,612 0.007,613 0.372,614 0.5,615 1,616 2.699,617 99.108,618 -0.104,619 -0.276,620 0.02,621 -0.169,622 0.065,623 -0.058,624 -0.21,625 0.071,626 -0.019,627 0.092,628 -0.056,629 0.08,630 0.058,631 -0.114,632 -0.012,633 -0.007,634 0.108,635 -0.026,636 0.09,637 0.028,638 0.031,639 -0.098,640 0.278,641 -0.059,642 -0.145,643 -0.107,644 -0.2,645 -0.141,646 -0.179,647 -0.181,648 -0.04,649 -0.045,650 -0.14,651 -0.065,652 -0.251,653 -0.114,654 -0.039,655 0.048,656 -0.041,657 -0.031,658 -0.047,659 -0.035,660 0.044,661 0.033,662 0.111,663 0.083,664 -0.047,665 0.11,666 1.632,667 2.776,668 0.238,669 18.58,670 1.009,671 1.145,672 -1.352,673 1.829,674 0.632,675 3.091,676 3.258,677 3.434,678 3.526,679 3.367,680 3.258,681 3.178,682 3.091,683 3.135,684 3.178,685 6.689,686 0.606,687 289.38,688 3.091,689 4.533,690 5.313,691 6.116,692 6.913,693 7.722,694 8.524,695 9.335,696 10.139,697 10.95,698 12.5,700 3,707 2,715 2,718 1,720 2,722 5,741 40,743 8,745 21,747 40,748 14,749 4,756 1,757 1,771 2,772 6,773 6,777 1,786 2,789 1,790 1,792 1,793 19,794 7,795 3,796 7,802 5,808 1,809 2,828 1,838 2,850 1,853 3,858 1,859 1,864 2,868 21,876 4,877 3,878 1,885 2,889 2,891 2,893 5,897 1,898 1,901 11.833,902 7.65,903 5.278,904 2.149,907 1.444,908 1.247,909 0.897,910 8,911 7.288,912 3.384,913 3.744,914 4.247,915 4.655,916 4.484,917 4.341,918 4.282,919 4.178,920 4.321,921 4.712,922 1,923 25,924 7.646,926 2.908,927 0.026,929 7.984,931 14.241,933 10.242,936 2.484,937 52.167,941 188.338,942 98.756,943 116.151,945 20.507,948 98.756,949 208.845,950 116.151,951 19.279,952 10.909,953 72.985,954 44.203,955 77.14,956 10.898,957 188.338,959 188.338,960 214.907,961 20.507,964 188.338,965 9.507,966 11,968 127.06,969 87.847,972 188.338,973 136.658,974 98.756,977 188.338,978 27.321,979 38.232,980 87.236,981 82.626,982 188.338,983 136.658,984 98.756,986 0.531,987 0.324,988 0.174,989 0.071,990 7,991 4,992 0.225,993 9,995 1,996 3.416,997 131.036,999 5,1000 88.239,1005 17.066,1006 9.845,1007 5.886,1009 136.658,1010 3.782,1013 5.53,1015 1.627,1017 54.032,1018 423.752,1019 28.5,1028 0.468,1031 40.349,1032 45.817,1034 0.307,1035 0.662,1036 0.852,1037 0.89,1038 0.899,1039 0.899,1040 4.577,1041 0.677,1042 5.22,1043 1.514,1044 3.932,1045 4.425,1046 3.206,1047 5.9,1048 3.849,1049 5.743,1050 0.618,1051 6.701,1052 1.491,1053 3.219,1054 3.951,1056 6.629,1057 3.172,1058 7.012,1059 0.244,1060 8.284,1061 0.791,1062 5.389,1063 6.481,1064 4.797,1065 9.619,1066 5.259,1067 8.321,1068 -0.143,1069 9.931,1070 0.362,1071 5.602,1072 6.985,1074 11.212,1075 5.499,1076 9.664,1077 -0.442,1078 11.619,1079 -0.232,1080 7.117,1081 8.839,1082 6.671,1083 13.66,1084 6.951,1085 11.029,1086 -0.603,1087 13.334,1088 -0.707,1089 7.757,1090 9.77,1092 15.583,1093 7.602,1094 12.413,1095 -1.061,1096 15.068,1097 -1.018,1098 8.998,1099 11.339,1100 8.62,1101 17.851,1102 8.795,1103 2.801,1104 -1.411,1105 16.815,1106 -2.412,1107 9.84,1108 12.469,1110 19.909,1111 9.633,1112 2.737,1113 8.856,1114 18.573,1115 -3.245,1116 10.959,1117 13.908,1118 10.59,1119 22.11,1120 10.716,1121 2.051,1122 7.872,1123 20.337,1124 3.731,1125 11.896,1126 15.133,1128 24.227,1129 11.64,1130 1.755,1131 5.699,1132 22.108,1133 3.723,1134 12.961,1135 16.509,1136 12.566,1137 26.404,1138 12.675,1139 1.465,1140 4.125,1141 23.883,1142 2.431,1143 13.942,1144 17.78,1146 28.547,1147 13.637,1148 1.088,1149 3.127,1150 25.662,1151 2.019,1152 14.983,1153 19.125,1154 14.544,1155 30.717,1156 14.651,1157 0.8,1158 2.061,1159 27.445,1160 1.596,1161 15.985,1162 20.419,1164 32.873,1165 15.631,1166 4727,1167 8744,1168 13.405,1169 25.267,1170 31.086,1171 33.376,1172 30.784,1173 28.447,1174 28.474,1175 36.153,1176 13.863,1177 71.801,1178 27.085,1179 5.232,1180 6.026,1181 5.882,1182 4.802,1183 4.788,1184 6.457,1185 5.379,1186 14.733,1187 4.628,1188 11.972,1189 1.48,1190 1.589,1191 1.466,1192 1.355,1193 1.356,1194 1.722,1195 0.66,1196 3.419,1197 1.29,1198 3.948,1199 3.965,1200 3.893,1201 3.786,1202 6.856,1203 3.808,1204 3.785,1205 3.839,1206 3.745,1207 3.629,1208 6.782,1209 3.653,1210 3.539,1211 3.614,1212 3.408,1213 3.335,1214 5.054,1215 3.341,1216 3.356,1217 3.411,1218 3.197,1219 3.091,1220 4.567,1221 3.104,1222 3.272,1223 3.372,1224 3.105,1225 3.004,1226 4.508,1227 3.01,1228 3.097,1229 3.199,1230 2.915,1231 2.855,1232 4.203,1233 2.847,1234 2.912,1235 2.981,1236 2.891,1237 2.652,1238 3.884,1239 2.713,1240 2.817,1241 2.929,1242 2.568,1243 2.584,1244 3.621,1245 2.564,1246 0.205,1247 0.203,1248 0.291,1249 0.179,1250 0.133,1251 4.306,1252 0.178,1253 4.254,1254 0.128,1255 6.109,1256 0.422,1257 3.763,1258 0.129,1259 2.801,1260 3.731,1261 2.689,1262 8.856,1263 2.719,1264 1.72,1265 1.668,1266 1.892,1267 1.937,1268 1.116,1269 1.927,1270 1.61,1271 1.565,1272 1.768,1273 1.815,1274 0.907,1275 1.797,1276 1.547,1277 1.519,1278 1.738,1279 1.769,1280 0.845,1281 1.761,1282 1.381,1283 1.326,1284 1.631,1285 1.591,1286 0.738,1287 1.607,1288 1.233,1289 1.131,1290 1.516,1291 1.5,1292 0.557,1293 1.503,1294 1.158,1295 1.083,1296 1.473,1297 1.452,1298 0.449,1299 1.468,1300 0.887,1301 0.784,1302 1.236,1303 1.213,1304 0.352,1305 1.217,1306 0.754,1307 0.692,1308 1.022,1309 1.029,1310 0.108,1311 1.008,1312 3.761,1314 4.963,1315 2.398,1316 6.347,1317 4.595,1318 7.816,1319 6.555,1320 9.328,1322 3.278,1328 2.306,1329 8.985,1330 4.978,1338 17.553,1339 3.661,1340 24.224,1341 65.254,1342 140.819,1343 181.367,1344 189.367,1345 191.367,1346 191.367,1347 47.455,1348 5.844,1349 106.04,1350 106.04,1351 5,1352 11.539,1353 3.17,1354 3.087,1355 54.28,1356 86,1357 80,1358 0.309,1359 159.142,1360 281.6,1361 380.066,1362 2216,1364 15.502,1365 0.738,1366 0.581,1367 15.502,1368 12.194,1369 10.244,1370 0.488,1371 0.309,1372 6.322,1373 9.648,1374 6.122,1375 5.177,1376 10.244,1377 6.481,1378 7.717,1379 0.309,1380 0.165,1381 7.717,1382 4.128,1383 6.274,1384 0.209,1385 0.088,1386 6.274,1387 2.63,1388 4.856,1389 0.147,1390 0.05,1391 4.856,1392 1.663,1393 2.838,1394 0.101,1395 0.031,1396 2.838,1397 0.879,1398 0.507,1399 65.708,1400 0.273,1401 21.691,1402 0.783,1403 92,1404 339.76,1405 104.361,1406 325.011,1407 421.4,1408 302,1409 101,1410 284.042,1411 113.667,1412 290.13,1413 406.37,1414 267,1415 4.699}
{0 CHEMBL155499,1 1.452,2 4.667,3 2.563,4 6.57,5 44.517,6 7.819,7 0.462,8 3.147,9 3.244,10 2.752,11 2.785,12 4.312,13 2.756,14 3.693,15 3.843,16 3.144,17 3.187,18 4.859,19 3.145,20 3.954,21 4.141,22 3.133,23 3.214,24 5.221,25 3.154,26 3.876,27 4.101,28 2.733,29 2.924,30 5.112,31 2.828,32 3.395,33 3.631,34 2.393,35 2.375,36 4.949,37 2.286,38 3.026,39 3.342,40 1.317,41 1.711,42 4.22,43 1.542,44 2.05,45 2.396,46 0.351,47 0.587,48 3.332,49 0.542,56 0.019,57 0.328,58 3.683,59 2.203,60 6.005,61 2.557,62 0.055,63 0.554,64 7.403,65 3.829,66 15.622,67 4.616,68 0.163,69 0.685,70 11.059,71 4.77,72 35.08,73 5.595,74 0.246,75 0.565,76 11.55,77 4.203,78 54.443,79 4.987,80 0.223,81 0.382,82 7.171,83 2.609,84 50.751,85 3.249,86 0.162,87 0.284,88 5.929,89 1.779,90 30.359,91 2.048,92 0.108,93 0.125,94 2.547,95 0.579,96 20.5,97 0.466,104 10,105 19,106 0.309,107 0.681,108 0.818,109 0.866,110 0.866,111 0.866,112 2.603,113 0.925,114 -4.37,115 -4.3,116 -4.06,121 47.6,122 1,123 1,124 1,144 3,145 2,146 1,159 1,176 7,180 2,187 9,192 4,200 8,206 1,214 3,219 1,227 1,281 92,282 7.793,283 7.793,284 7.793,285 7.793,286 7.793,287 6.949,288 8.551,289 4.42,290 7.831,291 6.379,292 6.379,293 6.379,294 6.379,295 6.379,296 5.021,297 7.042,298 2.093,299 6.443,300 2.94,301 1.191,302 0.548,303 0.322,304 0.322,305 0.322,306 3.225,311 1,312 1,313 116,314 1.581,317 20.023,318 24.29,321 37.456,325 0.722,326 18.184,329 1,330 0.67,331 0.83,332 0.7,333 0.5,334 1,335 1,336 0.81,337 26.5,338 56,339 4.465,340 3.778,341 6.662,342 4.174,343 3.163,344 4.062,345 1.277,346 10.634,347 3.198,348 3.687,349 2.925,350 5.43,351 3.318,352 2.348,353 3.025,355 6.628,356 2.274,357 3.265,358 2.549,359 4.954,360 2.894,361 1.91,362 2.48,364 5.651,365 1.859,366 2.861,367 1.886,368 4.684,369 2.63,370 1.628,371 1.938,373 4.7,374 1.623,375 2.286,376 1.325,377 3.477,378 1.831,379 0.797,380 1.11,382 1.958,383 0.818,384 1.35,385 0.718,386 2.484,387 0.992,393 0.69,394 -0.015,395 2.287,396 0.271,397 -0.667,398 -0.753,400 -1.632,401 -0.61,402 0.494,403 -0.607,404 2.253,405 0.221,406 -0.797,407 -1.118,409 -2.286,410 -0.809,411 0.021,412 -0.892,413 1.606,414 -0.25,415 -1.241,416 -1.492,418 -3.192,419 -1.175,420 -0.153,421 -1.098,422 1.271,423 -0.489,424 -1.45,425 -1.796,427 -3.924,428 -1.476,429 -0.5,430 -1.583,431 1.121,432 -0.779,433 -1.786,434 -2.176,436 -5.391,437 -1.804,438 -0.657,439 -1.714,440 1.076,441 -0.914,442 -1.906,443 -2.282,445 -6.275,446 -1.898,447 -0.809,448 -2,449 0.696,450 -1,451 -2,452 -3,453 -1.277,454 -6.872,455 -2,474 5.619,475 0.468,476 0.404,477 0.034,478 14.5,479 1.208,480 7.5,481 0.625,482 7,483 0.583,484 7.599,485 0.633,486 12.981,487 0.618,488 8.056,489 0.671,490 2.761,491 0.23,492 2.92,493 0.243,494 0.199,496 0.445,499 1,501 0.459,502 0.825,503 0.668,504 0.952,505 0.487,506 0.899,507 0.512,508 0.875,509 0.675,510 0.977,511 0.508,512 0.906,513 0.937,514 1.012,515 1.003,516 1.127,517 0.939,518 1.095,519 1.179,520 0.897,521 1.169,522 0.998,523 1.258,524 1.067,525 0.767,526 1.205,527 0.929,528 1.175,529 0.802,530 1.129,531 1.802,532 1.237,533 1.403,534 0.829,535 1.66,536 0.934,537 3.854,538 1.431,539 2.062,540 0.01,541 3.445,542 0.285,549 3,551 1.778,552 1.326,553 0.568,554 0.278,559 736,560 2412,561 1.991,562 42.9,563 5,564 3,568 1,572 1.463,573 1.8,574 2.334,575 -0.807,579 1,582 30.49,583 1.452,584 3.201,585 3.844,586 4.071,587 4.071,588 4.071,589 1.784,590 3.189,591 3.562,592 2.301,593 151.898,594 5.88,595 1046.68,597 1,600 92.239,601 1.555,602 3.478,603 0.231,605 0.094,606 0.078,607 0.057,608 0.046,613 0.506,614 0.83,615 1,616 0.799,617 40.491,619 0.037,620 0.021,621 0.05,622 -0.016,623 0.044,624 0.027,625 -0.04,626 0.106,627 0.004,628 0.044,629 0.059,630 -0.072,631 -0.11,632 -0.102,633 -0.18,634 -0.061,635 -0.155,636 -0.161,637 -0.115,638 -0.172,639 -0.085,640 -0.174,641 -0.127,642 0.329,643 -0.259,644 0.118,645 -0.253,646 0.285,647 -0.173,648 -0.26,649 0.094,650 -0.158,651 0.114,652 -0.232,653 0.044,654 -0.807,655 1.086,656 -0.398,657 1.008,658 -0.727,659 0.634,666 1.99,667 4.71,668 0.75,669 4.444,670 1.012,671 1.125,672 3.138,673 9.847,674 0.676,675 2.639,676 2.996,677 3.258,678 3.497,679 3.638,680 3.466,681 3.367,682 3.219,683 2.079,684 0.693,685 2.985,686 0.654,687 164.19,688 2.639,689 4.174,690 5.03,691 5.922,692 6.801,693 7.694,694 8.58,695 9.472,696 10.361,697 11.253,715 3,720 3,722 6,727 1,740 1,741 21,743 7,744 1,745 13,747 22,748 10,749 6,750 3,751 3,752 1,756 2,757 3,763 1,767 1,768 1,770 1,772 7,773 3,774 1,777 1,782 1,786 1,791 1,793 9,794 2,796 2,808 0.5,809 1,828 1,829 1,832 1,859 1,864 1,866 1,868 12,876 1,880 1,892 1,893 4.8,896 1,901 6.667,902 4.143,903 2.583,904 1.355,907 1.393,908 1.256,909 0.969,910 1.503,911 6.831,912 2.89,913 3.481,914 4.03,915 4.531,916 5.014,917 5.005,918 5.123,919 5.124,920 4.275,921 2.784,922 1,923 17,924 4.468,925 0.006,926 1.98,927 0.026,929 8.208,931 8.341,932 0.002,933 7.08,934 -0.002,936 2.708,937 32.5,938 0.008,941 105.94,942 60.414,945 25.145,946 14.96,948 60.414,949 131.085,950 14.96,951 8.825,952 2.535,953 28.429,954 30.278,955 15.492,956 14.96,957 105.94,959 105.94,960 60.414,961 40.105,964 120.9,965 25.145,968 11.36,969 49.054,972 120.9,973 25.145,974 60.414,977 105.94,978 23.16,979 37.254,981 40.105,982 105.94,983 40.105,984 60.414,986 0.6,987 0.356,988 0.185,989 0.103,990 11,991 5,994 1,995 1.222,996 2.34,997 72.835,998 0.222,999 9,1000 43.02,1005 7.479,1006 2.411,1007 1.075,1009 40.105,1010 4.442,1015 1.229,1018 206.459,1019 17,1024 11.382,1028 0.074,1031 21.258,1032 23.625,1034 0.331,1035 0.729,1036 0.875,1037 0.927,1038 0.927,1039 0.927,1040 4.135,1041 -0.797,1042 5.056,1043 -1.632,1044 3.664,1045 4.159,1046 1.45,1047 5.9,1048 3.653,1049 5.358,1050 -1.241,1051 6.648,1052 -2.286,1053 3.434,1054 4.086,1056 6.855,1057 3.414,1058 6.679,1059 -1.45,1060 8.336,1061 -3.192,1062 5.293,1063 6.325,1064 1.845,1065 9.964,1066 5.29,1067 8.035,1068 -1.786,1069 10.078,1070 -3.924,1071 5.832,1072 7.005,1074 11.743,1075 5.842,1076 9.421,1077 -1.906,1078 11.854,1079 -5.391,1080 7.241,1081 8.79,1082 2.271,1083 14.386,1084 7.263,1085 10.83,1086 -2,1087 13.655,1088 -6.275,1089 8.128,1090 9.822,1092 16.518,1093 8.173,1094 12.256,1096 15.474,1097 -6.872,1098 9.37,1099 11.416,1100 2.72,1101 18.99,1102 9.426,1103 3.163,1105 17.309,1107 10.41,1108 12.624,1110 21.264,1111 10.488,1112 2.348,1113 10.634,1114 19.156,1116 11.591,1117 14.125,1118 3.184,1119 23.67,1120 11.68,1121 1.91,1122 6.628,1123 21.013,1124 4.062,1125 12.696,1126 15.424,1128 25.999,1129 12.803,1130 1.628,1131 5.651,1132 22.878,1133 3.025,1134 13.855,1135 16.879,1136 3.658,1137 28.38,1138 13.975,1139 0.797,1140 4.7,1141 24.75,1142 2.48,1143 14.987,1144 18.226,1146 30.731,1147 15.121,1149 1.958,1150 26.626,1151 1.938,1152 16.14,1153 19.656,1154 4.138,1155 33.101,1156 16.286,1157 -0.667,1159 28.507,1160 1.11,1161 17.283,1162 21.028,1164 35.46,1165 17.442,1166 804,1167 1500,1168 8.266,1169 14.199,1170 20.135,1171 21.495,1172 21.182,1173 19.772,1174 19.694,1175 25.232,1176 2.555,1177 59.142,1178 19.544,1179 5.274,1180 5.778,1181 5.966,1182 5.174,1183 5.163,1184 7.062,1185 2.555,1186 17.506,1187 5.198,1188 6.1,1189 1.549,1190 1.653,1191 1.629,1192 1.521,1193 1.515,1194 1.941,1195 0.197,1196 4.549,1197 1.503,1198 4.031,1199 4.051,1200 3.983,1201 3.964,1202 8.201,1203 3.964,1204 3.534,1205 3.581,1206 3.439,1207 3.405,1208 7.426,1209 3.402,1210 2.996,1211 3.065,1212 2.897,1213 2.844,1214 4.601,1215 2.846,1216 2.978,1217 3.029,1218 2.79,1219 2.781,1220 3.999,1221 2.766,1222 2.581,1223 2.641,1224 2.417,1225 2.305,1226 3.59,1227 2.325,1228 2.383,1229 2.454,1230 2.195,1231 2.149,1232 3.45,1233 2.142,1234 1.741,1235 1.886,1236 1.541,1237 1.296,1238 2.756,1239 1.27,1240 1.648,1241 1.805,1242 1.222,1243 1.028,1244 2.329,1245 1.09,1246 0.343,1247 0.291,1248 0.512,1249 0.321,1250 0.243,1251 4.465,1252 0.312,1253 3.778,1254 0.098,1255 6.662,1256 0.818,1257 4.174,1258 0.246,1259 3.163,1260 4.062,1261 1.277,1262 10.634,1263 3.198,1264 1.883,1265 1.864,1266 1.975,1267 1.963,1268 1.205,1269 1.966,1270 1.644,1271 1.599,1272 1.866,1273 1.808,1274 1.056,1275 1.829,1276 1.02,1277 0.988,1278 1.339,1279 1.227,1280 0.482,1281 1.262,1282 0.949,1283 0.871,1284 1.177,1285 1.194,1286 0.241,1287 1.181,1288 0.675,1289 0.596,1290 0.964,1291 0.931,1292 0.037,1293 0.952,1294 0.112,1295 0.041,1296 0.557,1297 0.481,1299 0.487,1302 0.304,1303 0.2,1305 0.249,1309 0.06,1311 0.009,1312 3.296,1314 4.635,1315 2.398,1316 6.168,1317 4.844,1318 7.786,1319 7.002,1320 9.451,1322 1.875,1324 12.71,1328 0.758,1332 0.029,1340 13.732,1341 30.49,1342 67.219,1343 80.729,1344 85.484,1345 85.484,1346 85.484,1347 20.99,1348 5.438,1349 17.07,1350 17.07,1351 11,1352 11.781,1353 3,1354 2.322,1355 17,1356 22,1357 18,1358 0.443,1359 85.392,1360 150.24,1361 200.116,1362 1086,1363 4.8,1364 8.715,1365 0.726,1366 0.567,1367 7.845,1368 6.803,1369 5.682,1370 0.437,1371 0.308,1372 3.97,1373 5.5,1374 3.844,1375 3.178,1376 5.288,1377 4.009,1378 5.414,1379 0.285,1380 0.172,1381 4.78,1382 3.271,1383 4.558,1384 0.182,1385 0.092,1386 4.215,1387 2.311,1388 3.538,1389 0.111,1390 0.051,1391 3.335,1392 1.644,1393 2.859,1394 0.077,1395 0.029,1396 2.483,1397 1.058,1398 0.619,1399 35.533,1400 0.348,1401 11.632,1402 1.442,1403 64,1404 239.847,1405 69.935,1406 206.075,1407 266.41,1408 190,1409 76,1410 182.97,1411 81.236,1412 180.563,1413 263.75,1414 170,1415 6.56}
{0 CHEMBL1555,1 1.428,2 6.476,3 1.443,4 2.081,5 82.305,6 6.843,7 0.25,8 3.854,9 3.961,10 3.366,11 3.365,12 4.833,13 3.343,14 4.469,15 4.637,16 3.793,17 3.837,18 5.379,19 3.803,20 4.783,21 4.953,22 4.001,23 4.121,24 5.706,25 4.052,26 4.985,27 5.206,28 3.956,29 4.179,30 5.83,31 4.068,32 4.922,33 5.161,34 3.746,35 4.041,36 5.733,37 3.91,38 4.756,39 5.003,40 3.417,41 3.794,42 5.585,43 3.634,44 4.564,45 4.848,46 2.984,47 3.425,48 5.462,49 3.223,50 4.258,51 4.61,52 2.066,53 2.903,54 4.984,55 2.608,56 0.025,57 0.58,58 9.922,59 4.321,60 9.195,61 5.622,62 0.197,63 1.006,64 19.599,65 7.305,66 19.794,67 9.762,68 0.288,69 1.348,70 26.749,71 10.709,72 32.371,73 14.289,74 0.375,75 1.555,76 33.701,77 12.713,78 43.553,79 17.591,80 0.392,81 1.421,82 32.197,83 11.462,84 34.246,85 16.058,86 0.338,87 1.159,88 27.471,89 9.577,90 34.17,91 13.472,92 0.446,93 0.88,94 23.5,95 7.489,96 44.381,97 10.822,98 0.305,99 0.6,100 17.868,101 5.081,102 33.076,103 7.781,104 11,105 37,106 0.254,107 0.604,108 0.852,109 0.886,110 0.886,111 0.886,112 3.108,113 0.946,114 -3.16,115 -3.15,116 -3.03,121 40.5,123 2,125 1,126 2,127 2,129 2,137 2,144 2,145 2,146 2,176 7,180 6,185 2,187 9,191 1,192 9,197 1,200 9,206 6,209 1,211 1,214 5,218 1,219 5,224 2,227 5,231 1,232 1,237 1,239 1,247 2,249 2,281 440,282 14.281,283 14.281,284 14.281,285 14.281,286 14.281,287 13.437,288 24.237,289 7.995,290 14.697,291 11.757,292 11.757,293 11.757,294 11.757,295 11.757,296 10.293,297 36.322,298 3.676,299 12.357,300 3.964,301 2,302 0.607,303 0.417,304 0.417,305 0.417,306 3.804,310 1,311 1,312 1,313 299,314 2.739,317 20.81,318 60.139,319 33.487,321 85.364,322 46.668,323 54.866,324 60.14,325 0.834,326 19.156,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 45.5,338 136,339 4.868,340 4.066,341 8.074,342 4.712,343 3.728,344 4.353,345 0.916,346 15.709,347 3.671,348 4.091,349 3.097,350 6.48,351 3.774,352 2.807,353 3.403,354 0.86,355 9.863,356 2.715,357 3.679,358 2.911,359 5.813,360 3.438,361 2.503,362 2.942,363 0.86,364 7.821,365 2.333,366 3.348,367 2.735,368 5.255,369 3.216,370 2.266,371 2.419,372 0.765,373 6.396,374 2.148,375 3.185,376 2.37,377 5.048,378 2.988,379 2.046,380 2.228,381 0.68,382 5.821,383 1.917,384 2.939,385 2.28,386 4.85,387 2.649,388 1.731,389 2.012,390 0.172,391 5.061,392 1.58,393 2.796,394 1.759,395 4.615,396 2.453,397 1.485,398 1.81,400 4.364,401 1.431,402 2.123,403 1.165,404 3.789,405 1.74,406 0.768,407 0.927,409 1.883,410 0.743,411 1.875,412 1.009,413 3.625,414 1.626,415 0.732,416 0.817,418 1.534,419 0.647,420 1.464,421 0.667,422 3.084,423 1.285,424 0.343,425 0.375,427 0.757,428 0.32,429 1.11,430 0.363,431 2.852,432 0.884,433 -0.054,434 -0.061,436 -0.114,437 -0.051,438 0.956,439 0.176,440 2.815,441 0.697,442 -0.219,443 -0.244,445 -0.529,446 -0.199,447 0.537,448 -0.209,449 2.74,450 0.307,451 -0.639,452 -0.688,454 -1.815,455 -0.589,456 0.388,457 -0.409,458 2.295,459 0.115,460 -0.824,461 -0.944,463 -2.155,464 -0.769,466 -0.573,467 2.258,468 -0.067,469 -1,470 -1,472 -2.814,473 -0.928,474 9.9,475 0.471,476 0.621,477 0.03,478 22,479 1.048,480 8,481 0.381,482 14,483 0.667,484 20.744,485 0.988,486 23.7,487 0.564,488 15.021,489 0.715,490 4.15,491 0.198,492 5.987,493 0.285,494 0.135,495 0.051,496 0.343,501 0.903,502 1.328,503 0.847,504 1.174,505 0.961,506 1.027,507 1.208,508 0.877,509 0.907,510 0.833,511 0.884,512 0.807,513 0.925,514 1.128,515 0.983,516 1.111,517 0.91,518 1.065,519 0.85,520 1.113,521 0.977,522 1.097,523 0.723,524 1.066,525 1.018,526 1.066,527 1.079,528 1.069,529 0.771,530 1.083,531 1.05,532 1.143,533 1.176,534 1.193,535 1.028,536 1.205,537 1.028,538 0.992,539 1.084,540 1.031,541 1.199,542 1.067,543 1.132,544 0.608,545 0.953,546 0.655,547 1.388,548 0.751,549 5.5,551 3.333,552 2.514,553 2.012,554 0.973,555 0.505,556 0.285,559 3573,560 8114,561 2.143,562 50,564 16,567 1,569 2,570 2,572 1.645,573 1.984,574 2.69,575 -0.338,576 1,577 1,579 1,582 59.997,583 1.428,584 3.392,585 4.785,586 4.975,587 4.975,588 4.975,589 1.904,590 4.107,591 4.364,592 2.768,593 581.283,594 7.543,595 5777.72,596 1,597 1,599 1,600 226.477,601 1.648,602 4.308,603 0.229,605 0.09,606 0.057,607 0.05,608 0.031,609 0.025,610 0.026,613 0.509,614 0.83,615 1,616 0.819,617 89.674,618 -0.037,619 -0.125,620 0.075,621 -0.033,622 -0.1,623 0.027,624 -0.146,625 0.262,626 0.068,627 0.205,628 -0.038,629 0.185,630 0.015,631 -0.045,632 -0.035,633 -0.044,634 -0.017,635 -0.047,636 0.032,637 -0.113,638 -0.023,639 -0.084,640 0.024,641 -0.067,642 -0.062,643 -0.085,644 -0.108,645 -0.092,646 -0.044,647 -0.108,648 -0.055,649 -0.193,650 -0.198,651 -0.236,652 -0.076,653 -0.241,654 0.089,655 -0.126,656 -0.074,657 -0.131,658 0.1,659 -0.132,660 -0.095,661 0.186,662 0.072,663 0.168,664 -0.025,665 0.154,666 1.745,667 3.973,668 0.81,669 11.66,670 0.998,671 1.126,672 1.931,673 3.729,674 0.642,675 3.219,676 3.638,677 4.025,678 4.419,679 4.779,680 5.011,681 5.17,682 5.308,683 5.303,684 5.323,685 4.044,686 0.606,687 287.39,688 3.219,689 4.812,690 5.727,691 6.678,692 7.624,693 8.586,694 9.543,695 10.509,696 11.471,697 12.438,698 2.4,701 1,715 2,720 4,722 6,739 2,741 42,743 7,744 1,745 24,747 45,748 17,749 6,750 4,751 2,756 4,757 12,764 1,766 1,767 4,770 4,772 8,773 9,777 1,784 2,789 1,790 1,793 21,794 4,795 1,796 4,802 1,808 0.25,809 3,811 1,828 1,829 2,830 1,832 2,833 1,834 1,835 1,849 2,855 1,857 1,859 1,864 2,868 21,875 1,876 4,878 2,880 2,881 1,882 1,893 7.1,894 1,898 2,901 10.583,902 7.983,903 4.5,904 2.522,907 1.597,908 1.21,909 0.934,910 2.982,911 9.185,912 3.367,913 3.942,914 4.541,915 5.129,916 5.685,917 6.024,918 6.348,919 6.658,920 6.799,921 6.999,922 0.6,923 44,924 7.835,926 3.49,927 0.026,929 7.575,931 15.418,933 13.729,936 2.075,937 43.583,938 0.001,941 235.422,942 83.323,943 3.124,945 64.683,948 83.323,949 300.105,950 3.124,951 19.279,952 9.28,953 80.588,955 41.982,957 235.422,959 235.422,960 86.447,961 64.683,964 188.338,965 69.084,966 42.683,968 12.405,969 55.09,970 18.952,972 235.422,973 67.807,974 83.323,977 235.422,978 26.138,979 60.309,981 64.683,982 235.422,983 67.807,984 83.323,986 0.598,987 0.37,988 0.218,989 0.137,990 22,991 9,992 0.022,993 1,994 4,995 1.412,996 3.117,997 188.024,998 0.471,999 16,1000 92.239,1005 13.467,1006 4.65,1007 1.834,1009 67.807,1010 4.157,1015 4.276,1017 42.683,1018 386.552,1019 28,1026 4.114,1031 41.92,1032 47.279,1034 0.265,1035 0.629,1036 0.887,1037 0.923,1038 0.923,1039 0.923,1040 4.696,1041 0.768,1042 5.784,1043 4.364,1044 4.317,1045 4.625,1046 2.022,1047 6.767,1048 4.231,1049 5.914,1050 0.732,1051 7.453,1052 1.883,1053 4.205,1054 4.575,1055 0.325,1056 8.255,1057 4.104,1058 7.267,1059 0.343,1060 9.242,1061 1.534,1062 6.111,1063 6.771,1064 1.659,1065 11.437,1066 5.982,1067 8.66,1068 -0.054,1069 11.11,1070 0.757,1071 6.836,1072 7.55,1073 0.393,1074 13.812,1075 6.708,1076 10.094,1077 -0.219,1078 13.035,1079 -0.114,1080 8.297,1081 9.287,1082 1.366,1083 16.654,1084 8.151,1085 11.558,1086 -0.639,1087 15.001,1088 -0.529,1089 9.381,1090 10.44,1091 0.384,1092 19.304,1093 9.236,1094 13.047,1095 -0.824,1096 16.997,1097 -1.815,1098 10.716,1099 12.011,1100 1.122,1101 22.074,1102 10.559,1103 3.728,1104 -1,1105 19.017,1106 -2.155,1107 11.943,1108 13.333,1109 0.351,1110 24.799,1111 11.78,1112 2.807,1113 15.709,1114 21.054,1115 -2.814,1116 13.251,1117 14.841,1118 0.919,1119 27.556,1120 13.077,1121 2.503,1122 9.863,1123 23.104,1124 4.353,1125 14.53,1126 16.241,1127 0.312,1128 30.301,1129 14.347,1130 2.266,1131 7.821,1132 25.163,1133 3.403,1134 15.837,1135 17.724,1136 0.75,1137 33.055,1138 15.641,1139 2.046,1140 6.396,1141 27.23,1142 2.942,1143 17.137,1144 19.16,1145 0.273,1146 35.807,1147 16.929,1148 1.731,1149 5.821,1150 29.301,1151 2.419,1152 18.446,1153 20.635,1154 0.61,1155 38.561,1156 18.225,1157 1.485,1158 5.061,1159 31.377,1160 2.228,1161 19.755,1162 22.088,1163 0.236,1164 41.314,1165 19.519,1166 3474,1167 5291,1168 16.008,1169 26.983,1170 37.402,1171 37.309,1172 39.603,1173 36.847,1174 36.816,1175 42.574,1176 8.507,1177 118.419,1178 35.009,1179 5.829,1180 6.066,1181 7.616,1182 5.8,1183 5.728,1184 7.353,1185 1.776,1186 24.188,1187 5.671,1188 9.531,1189 1.558,1190 1.555,1191 1.65,1192 1.535,1193 1.534,1194 1.774,1195 0.354,1196 4.934,1197 1.459,1198 4.102,1199 4.121,1200 4.055,1201 4.02,1202 6.451,1203 4.026,1204 3.728,1205 3.762,1206 3.641,1207 3.632,1208 4.939,1209 3.629,1210 3.593,1211 3.66,1212 3.468,1213 3.387,1214 4.538,1215 3.395,1216 3.262,1217 3.321,1218 3.128,1219 3.086,1220 4.316,1221 3.087,1222 3.24,1223 3.307,1224 3.059,1225 2.973,1226 4.201,1227 2.98,1228 3.098,1229 3.155,1230 2.936,1231 2.925,1232 4.078,1233 2.917,1234 2.915,1235 2.996,1236 2.704,1237 2.743,1238 3.608,1239 2.723,1240 2.882,1241 2.974,1242 2.632,1243 2.69,1244 3.452,1245 2.662,1246 0.203,1247 0.169,1248 0.336,1249 0.196,1250 0.155,1251 4.868,1252 0.181,1253 4.066,1254 0.038,1255 8.074,1256 0.655,1257 4.712,1258 0.153,1259 3.728,1260 4.353,1261 0.916,1262 15.709,1263 3.671,1264 1.944,1265 1.926,1266 2.051,1267 2.019,1268 1.425,1269 2.03,1270 1.815,1271 1.784,1272 1.958,1273 1.968,1274 1.187,1275 1.967,1276 1.565,1277 1.495,1278 1.799,1279 1.798,1280 1.065,1281 1.8,1282 1.281,1283 1.228,1284 1.591,1285 1.544,1286 0.714,1287 1.559,1288 1.142,1289 1.052,1290 1.52,1291 1.414,1292 0.572,1293 1.451,1294 1.091,1295 1.038,1296 1.364,1297 1.307,1298 0.512,1299 1.323,1300 0.935,1301 0.836,1302 1.31,1303 1.184,1304 0.463,1305 1.233,1306 0.799,1307 0.739,1308 1.114,1309 1.075,1310 0.405,1311 1.089,1312 3.892,1314 5.283,1315 2.398,1316 6.887,1317 5.043,1318 8.597,1319 7.413,1320 10.369,1322 3.843,1327 9.973,1328 3.624,1330 11.755,1332 -0.403,1333 2.352,1334 -0.108,1340 25.434,1341 59.997,1342 142.477,1343 200.968,1344 208.968,1345 208.968,1346 208.968,1347 32.03,1348 7.588,1349 41.93,1350 41.93,1351 24,1352 12.917,1353 3,1354 2.322,1355 27.586,1356 52,1357 52,1358 0.287,1359 151.34,1360 269.13,1361 361.03,1362 17777,1364 14.613,1365 0.696,1366 0.595,1367 14.613,1368 12.503,1369 10.137,1370 0.422,1371 0.315,1372 7.443,1373 9.691,1374 7.22,1375 5.914,1376 10.137,1377 7.568,1378 9.62,1379 0.26,1380 0.174,1381 9.62,1382 6.428,1383 8.638,1384 0.157,1385 0.094,1386 8.638,1387 5.147,1388 7.772,1389 0.095,1390 0.05,1391 7.772,1392 4.077,1393 7.088,1394 0.06,1395 0.028,1396 7.088,1397 3.303,1398 0.411,1399 64.028,1400 0.25,1401 19.575,1402 0.933,1403 122,1404 309.266,1405 132.938,1406 289.168,1407 402.52,1408 274,1409 153,1410 297.942,1411 165.408,1412 301.999,1413 454.94,1414 283,1415 5.458}
{0 CHEMBL155746,1 1.277,2 9.55,3 3.448,4 11.885,5 85.769,6 6.522,7 0.273,8 3.775,9 3.901,10 3.243,11 3.378,12 4.732,13 3.315,14 4.354,15 4.548,16 3.57,17 3.797,18 5.223,19 3.704,20 4.631,21 4.86,22 3.573,23 3.931,24 5.499,25 3.788,26 4.701,27 4.982,28 3.311,29 3.814,30 5.543,31 3.619,32 4.45,33 4.754,34 3.058,35 3.528,36 5.26,37 3.337,38 4.12,39 4.377,40 2.96,41 3.36,42 4.921,43 3.203,44 4.093,45 4.33,46 3.028,47 3.376,48 4.919,49 3.234,50 4.181,51 4.423,52 3.008,53 3.374,54 5.054,55 3.226,56 0.037,57 0.547,58 9.378,59 4.177,60 5.417,61 5.793,62 0.114,63 0.947,64 17.329,65 6.993,66 10.834,67 9.935,68 0.133,69 1.171,70 23,71 9.616,72 19.251,73 13.523,74 0.186,75 1.17,76 25.14,77 10.157,78 36.028,79 14.298,80 0.151,81 0.898,82 19.597,83 7.784,84 29.778,85 11.061,86 0.096,87 0.676,88 13.823,89 5.696,90 17.223,91 8.027,92 0.084,93 0.668,94 13.399,95 5.585,96 11.084,97 7.822,98 0.125,99 0.706,100 14.907,101 5.876,102 18.75,103 8.143,104 5,105 30,106 0.227,107 0.576,108 0.786,109 0.829,110 0.838,111 0.838,112 3.057,113 1.012,114 -4.61,115 -4.53,116 -4.26,121 43.9,123 3,124 1,126 1,127 2,137 3,138 1,144 4,145 2,159 1,176 14,180 4,187 17,192 5,200 14,206 4,214 11,219 3,227 9,232 2,239 8,244 3,251 8,256 1,264 6,268 1,269 2,277 4,281 466,282 13.637,283 13.637,284 13.637,285 13.637,286 13.637,287 12.418,288 17.433,289 8.142,290 13.729,291 10.855,292 10.855,293 10.855,294 10.855,295 10.855,296 8.963,297 22.476,298 3.88,299 10.969,300 4.08,301 2.121,302 0.945,303 0.701,304 0.653,305 0.653,306 3.74,310 1,311 1,312 1,313 416,314 2.449,317 41.774,318 120.283,321 81.585,325 1.395,326 12.399,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 41.5,338 191,339 4.499,340 3.698,341 6.681,342 4.178,343 3.163,344 4.076,345 0.8,346 10.729,347 3.206,348 3.753,349 2.867,350 5.518,351 3.593,352 2.619,353 3.125,354 0.68,355 7.164,356 2.559,357 3.628,358 2.683,359 5.409,360 3.234,361 2.234,362 2.718,364 6.877,365 2.237,366 3.238,367 2.466,368 4.89,369 3.04,370 2.092,371 2.322,373 5.693,374 1.969,375 3.085,376 2.217,377 4.814,378 2.747,379 1.729,380 2.165,382 5.069,383 1.755,384 2.874,385 1.512,386 3.682,387 2.422,388 1.422,389 2.017,391 3.061,392 1.421,393 2.561,394 1.313,395 3.544,396 2.123,397 1.12,398 1.48,400 2.536,401 1.122,402 2.323,403 1.12,404 3.414,405 1.984,406 1,407 1.068,409 2.275,410 0.983,411 2,412 1.077,413 3.294,414 1.773,415 0.739,416 1,418 1.762,419 0.761,420 1.419,421 0.422,422 2.761,423 1.143,424 0.151,425 0.168,427 0.354,428 0.15,429 0.978,430 0.201,431 2.283,432 0.738,433 -0.273,434 -0.349,436 -0.618,437 -0.273,438 0.766,439 -0.312,440 2,441 0.398,442 -0.623,443 -0.767,445 -1.413,446 -0.632,447 0.59,448 -0.714,449 2,450 0.171,451 -0.831,452 -1,454 -2.028,455 -0.832,456 0.206,457 -0.784,458 2,459 -0.049,460 -1,461 -1.116,463 -2.85,464 -0.946,466 -0.863,467 1.704,468 -0.106,469 -1.1,470 -1.357,472 -3,473 -1.081,474 9.733,475 0.487,476 0.435,477 0.022,478 22.5,479 1.125,480 10.5,481 0.525,482 12,483 0.6,484 16.102,485 0.805,486 21.467,487 0.524,488 13.936,489 0.697,490 4.341,491 0.217,492 5.396,493 0.27,494 0.086,496 0.298,501 0.622,502 1.223,503 0.901,504 1.085,505 0.521,506 1.024,507 0.955,508 0.968,509 1.009,510 0.951,511 0.571,512 0.964,513 0.83,514 1.107,515 1.063,516 1.147,517 0.736,518 1.123,519 1.075,520 0.962,521 0.997,522 1,523 1.174,524 0.998,525 0.996,526 0.787,527 0.826,528 0.804,529 1.079,530 0.806,531 0.953,532 0.931,533 0.964,534 0.949,535 1.052,536 0.959,537 0.925,538 1.055,539 1.004,540 1.072,541 1.013,542 1.05,543 1.539,544 1.084,545 1.099,546 1.061,547 1.796,548 1.057,549 3.5,550 0.068,551 2.222,552 1.514,553 0.684,554 0.368,555 0.212,556 0.213,557 0.158,558 0.072,559 4265,560 8409,561 2.107,562 51.2,563 3,564 14,569 4,572 1.61,573 2,574 3.233,575 -0.886,577 1,579 1,582 52.362,583 1.277,584 3.237,585 4.412,586 4.656,587 4.705,588 4.705,589 2.666,590 4.022,591 4.296,592 3.369,593 640.072,594 7.3,595 6737.65,596 1,597 1,599 1,600 219.66,601 1.295,602 4.266,603 0.159,604 0.008,605 0.074,606 0.054,607 0.034,608 0.023,609 0.014,610 0.013,611 0.011,612 0.006,613 0.396,614 0.83,615 1,616 0.548,617 90.152,618 0.032,619 -0.085,620 0.059,621 -0.006,622 0.006,623 0.021,624 -0.093,625 0.144,626 -0.03,627 0.055,628 0.007,629 0.029,630 -0.008,631 -0.1,632 -0.1,633 -0.147,634 0.058,635 -0.13,636 -0.03,637 -0.043,638 -0.022,639 -0.034,640 0.011,641 -0.029,642 0.013,643 0.118,644 0.151,645 0.148,646 0.037,647 0.158,648 -0.048,649 0.032,650 0.004,651 0.037,652 -0.093,653 0.026,654 -0.007,655 -0.073,656 -0.035,657 -0.075,658 -0.052,659 -0.059,660 -0.105,661 -0.128,662 -0.095,663 -0.088,664 -0.174,665 -0.094,666 1.464,667 5.213,668 0.75,669 14.47,670 0.982,671 1.119,672 3.376,673 11.397,674 0.66,675 3.135,676 3.434,677 3.689,678 3.912,679 4.078,680 3.989,681 4.007,682 4.06,683 4.007,684 4.06,685 5.677,686 0.61,687 267.4,688 3.135,689 4.654,690 5.493,691 6.354,692 7.212,693 8.079,694 8.944,695 9.814,696 10.684,697 11.558,698 2.4,701 1,715 4,720 2,722 6,727 1,741 41,743 9,744 1,745 22,747 43,748 18,749 6,750 2,751 4,752 5,756 3,757 4,767 3,768 1,770 3,772 11,773 7,774 1,777 3,782 1,784 3,786 2,789 1,790 1,793 21,794 2,796 2,802 1,808 0.667,809 1,828 1,829 2,832 1,849 3,850 1,855 1,859 2,864 1,868 20,876 5,880 1,881 1,893 2.4,896 1,901 10,902 7.533,903 4.417,904 2.629,907 2.363,908 1.356,909 0.979,910 3.84,911 9.003,912 3.367,913 3.861,914 4.379,915 4.851,916 5.312,917 5.473,918 5.799,919 6.084,920 6.216,921 6.43,922 1,923 28,924 7.447,926 3.147,927 0.026,929 7.525,931 14.789,933 12.515,936 2.025,937 40.5,938 0.002,941 247.193,942 101.235,943 3.124,945 25.145,948 101.235,949 272.338,950 3.124,951 8.396,952 11.815,953 66.334,954 30.278,955 12.681,957 247.193,959 247.193,960 104.36,961 25.145,964 200.109,965 72.229,968 14.939,969 60.992,970 28.429,972 247.193,973 28.269,974 101.235,977 247.193,978 26.505,979 77.854,981 25.145,982 247.193,983 28.269,984 101.235,986 0.577,987 0.336,988 0.177,989 0.096,990 15,991 6,992 0.047,993 2,994 1,995 1.133,996 3.382,997 144.612,998 0.133,999 15,1000 82.439,1005 13.327,1006 5.763,1007 2.937,1009 28.269,1010 7.922,1015 2.044,1018 376.698,1019 28,1024 12.213,1026 6.381,1028 1.129,1031 40.265,1032 45.86,1034 0.238,1035 0.604,1036 0.824,1037 0.869,1038 0.878,1039 0.878,1040 4.6,1041 1,1042 5.46,1043 2.536,1044 4.111,1045 4.543,1046 1.059,1047 6.236,1048 4.099,1049 5.766,1050 0.739,1051 6.997,1052 2.275,1053 3.611,1054 4.159,1055 0.325,1056 7.076,1057 3.599,1058 7.044,1059 0.151,1060 8.636,1061 1.762,1062 5.666,1063 6.582,1064 0.636,1065 10.178,1066 5.653,1067 8.358,1068 -0.273,1069 10.338,1070 0.354,1071 6.019,1072 7.067,1073 0.268,1074 11.913,1075 6.027,1076 9.708,1077 -0.623,1078 12.081,1079 -0.618,1080 7.526,1081 8.951,1082 0.384,1083 14.531,1084 7.532,1085 11.086,1086 -0.831,1087 13.855,1088 -1.413,1089 8.292,1090 9.878,1091 0.188,1092 16.645,1093 8.33,1094 12.488,1095 -1,1096 15.652,1097 -2.028,1098 9.573,1099 11.519,1100 0.232,1101 19.104,1102 9.613,1103 3.163,1104 -1.1,1105 17.467,1106 -2.85,1107 10.541,1108 12.677,1109 0.125,1110 21.375,1111 10.613,1112 2.619,1113 10.729,1114 19.298,1115 -3,1116 11.732,1117 14.2,1118 0.14,1119 23.779,1120 11.812,1121 2.234,1122 7.164,1123 21.141,1124 4.076,1125 12.795,1126 15.477,1127 0.082,1128 26.112,1129 12.903,1130 2.092,1131 6.877,1132 22.994,1133 3.125,1134 13.952,1135 16.941,1136 0.085,1137 28.496,1138 14.073,1139 1.729,1140 5.693,1141 24.856,1142 2.718,1143 15.06,1144 18.28,1145 0.054,1146 30.853,1147 15.203,1148 1.422,1149 5.069,1150 26.724,1151 2.322,1152 16.207,1153 19.715,1154 0.052,1155 33.23,1156 16.365,1157 1.12,1158 3.061,1159 28.598,1160 2.165,1161 17.336,1162 21.085,1163 0.035,1164 35.597,1165 17.513,1166 4094,1167 5845,1168 14.909,1169 27.074,1170 33.307,1171 33.622,1172 33.47,1173 32.565,1174 32.54,1175 40.276,1176 2.96,1177 91.041,1178 32.325,1179 5.499,1180 5.698,1181 6.362,1182 5.213,1183 5.163,1184 7.076,1185 1.48,1186 17.714,1187 5.206,1188 7.808,1189 1.514,1190 1.528,1191 1.521,1192 1.48,1193 1.479,1194 1.831,1195 0.135,1196 4.138,1197 1.469,1198 4.038,1199 4.059,1200 3.988,1201 3.982,1202 7.427,1203 3.98,1204 3.877,1205 3.935,1206 3.759,1207 3.758,1208 4.734,1209 3.75,1210 3.582,1211 3.628,1212 3.487,1213 3.484,1214 4.503,1215 3.479,1216 3.343,1217 3.407,1218 3.218,1219 3.183,1220 4.29,1221 3.182,1222 3.111,1223 3.206,1224 2.907,1225 2.941,1226 3.942,1227 2.91,1228 3.081,1229 3.162,1230 2.866,1231 2.898,1232 3.677,1233 2.882,1234 2.986,1235 3.028,1236 2.841,1237 2.845,1238 3.616,1239 2.841,1240 2.698,1241 2.796,1242 2.478,1243 2.538,1244 3.474,1245 2.513,1246 0.204,1247 0.168,1248 0.304,1249 0.19,1250 0.144,1251 4.499,1252 0.185,1253 3.698,1254 0.036,1255 6.681,1256 0.488,1257 4.178,1258 0.146,1259 3.163,1260 4.076,1261 0.8,1262 10.729,1263 3.206,1264 1.892,1265 1.869,1266 2.075,1267 2.036,1268 1.424,1269 2.053,1270 1.882,1271 1.833,1272 2.001,1273 1.961,1274 1.157,1275 1.976,1276 1.666,1277 1.63,1278 1.82,1279 1.795,1280 0.965,1281 1.804,1282 1.339,1283 1.273,1284 1.613,1285 1.551,1286 0.825,1287 1.575,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.78,1293 1.429,1294 1.089,1295 1.004,1296 1.426,1297 1.307,1298 0.544,1299 1.351,1300 1.031,1301 0.997,1302 1.217,1303 1.214,1304 0.356,1305 1.213,1306 0.805,1307 0.735,1308 1.128,1309 1.004,1310 0.239,1311 1.053,1312 3.807,1314 5.106,1315 2.398,1316 6.6,1317 4.844,1318 8.179,1319 7.018,1320 9.802,1322 2.177,1328 5.591,1332 0.668,1333 2.375,1340 25.004,1341 52.362,1342 132.705,1343 180.905,1344 190.905,1345 192.905,1346 192.905,1347 29.431,1348 6.64,1349 20.31,1350 20.31,1351 17,1352 12.099,1353 3.322,1354 2.807,1355 30.254,1356 69,1357 66,1358 0.217,1359 154.479,1360 275.93,1361 368.688,1362 6433,1364 13.949,1365 0.697,1366 0.6,1367 13.949,1368 12.01,1369 9.737,1370 0.443,1371 0.337,1372 7.373,1373 9.56,1374 7.147,1375 5.941,1376 9.737,1377 7.423,1378 8.62,1379 0.287,1380 0.196,1381 8.62,1382 5.881,1383 7.315,1384 0.188,1385 0.112,1386 7.315,1387 4.378,1388 5.842,1389 0.119,1390 0.062,1391 5.842,1392 3.039,1393 4.695,1394 0.081,1395 0.037,1396 4.695,1397 2.167,1398 0.345,1399 59.697,1400 0.259,1401 20.285,1402 0.576,1403 104,1404 233.381,1405 107.852,1406 232.239,1407 318.17,1408 218,1409 121,1410 228.397,1411 125.49,1412 237.6,1413 345.27,1414 223,1415 8.523}
{0 CHEMBL155754,1 1.713,2 8.238,3 3.375,4 11.387,5 82.051,6 8.265,7 0.435,8 3.728,9 3.839,10 3.383,11 3.255,12 4.845,13 3.246,14 4.273,15 4.455,16 3.797,17 3.663,18 5.395,19 3.638,20 4.397,21 4.551,22 3.967,23 3.798,24 5.523,25 3.763,26 4.473,27 4.618,28 3.956,29 3.847,30 5.613,31 3.785,32 4.537,33 4.732,34 3.85,35 3.797,36 5.659,37 3.682,38 4.484,39 4.735,40 3.461,41 3.563,42 5.466,43 3.412,44 4.166,45 4.408,46 3.166,47 3.232,48 5.19,49 3.109,50 3.9,51 4.125,52 2.843,53 2.954,54 4.999,55 2.851,56 0.054,57 0.544,58 6.634,59 3.208,60 5.235,61 4.044,62 0.382,63 0.858,64 15.033,65 5.311,66 29.117,67 7.102,68 0.309,69 0.937,70 17.649,71 6.662,72 23.725,73 8.266,74 0.359,75 0.972,76 19.834,77 6.923,78 30.068,79 8.358,80 0.431,81 0.961,82 25.528,83 8.002,84 42.902,85 10.387,86 0.416,87 0.818,88 29.142,89 7.904,90 42.081,91 10.589,92 0.41,93 0.603,94 19.426,95 5.48,96 31.183,97 7.216,98 0.213,99 0.488,100 14.177,101 3.889,102 24.728,103 5.115,104 32,105 34,106 0.31,107 0.669,108 0.795,109 0.854,110 0.854,111 0.854,112 3.105,113 0.928,114 -3.04,115 -3.04,116 -2.93,121 40.5,123 2,126 3,144 2,145 2,146 2,154 2,159 1,161 1,176 4,179 1,180 5,183 2,187 4,191 1,192 8,200 5,206 4,211 1,214 4,218 1,219 5,224 3,227 3,232 4,237 1,239 1,243 2,244 1,247 1,249 1,256 1,261 1,268 1,272 1,281 511,282 14.154,283 14.154,284 14.154,285 14.154,286 14.154,287 12.339,288 17.429,289 7.96,290 14.604,291 11.161,292 11.161,293 11.161,294 11.161,295 11.161,296 8.489,297 19.277,298 3.557,299 11.852,300 3.496,301 1.516,302 0.818,303 0.494,304 0.494,305 0.494,306 3.777,308 1,310 1,311 1,312 1,313 365,314 3.162,317 70.139,318 42.495,320 57.332,321 62.624,324 87.744,325 1.32,326 19.85,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 45.833,338 173,339 4.855,340 3.703,341 7.221,342 4.41,343 3.446,344 4.831,345 2.186,346 12.74,347 3.319,348 4.187,349 3.577,350 6.407,351 3.77,352 2.841,353 3.709,354 0.986,355 9.682,356 2.628,357 3.781,358 3.166,359 5.824,360 3.369,361 2.422,362 3.144,363 0.366,364 7.799,365 2.265,366 3.57,367 2.67,368 5.564,369 3.147,370 2.211,371 2.863,373 6.895,374 2.047,375 3.382,376 2.31,377 4.968,378 2.95,379 1.976,380 2.626,382 5.578,383 1.911,384 2.947,385 1.99,386 4.766,387 2.445,388 1.491,389 2.06,391 4.551,392 1.417,393 2.679,394 1.684,395 4.253,396 2.279,397 1.35,398 1.73,400 3.527,401 1.209,402 1.922,403 1.118,404 3.548,405 1.741,406 0.774,407 0.855,409 1.853,410 0.74,411 1.653,412 1.085,413 3.158,414 1.383,415 0.511,416 0.556,418 0.981,419 0.428,420 1.473,421 0.881,422 2.799,423 1.245,424 0.31,425 0.329,427 0.459,428 0.288,429 1.314,430 0.681,431 2.718,432 0.976,433 0.08,434 0.094,436 0.136,437 0.063,438 0.991,439 0.354,440 2.475,441 0.586,442 -0.342,443 -0.428,445 -0.874,446 -0.297,447 0.631,448 -0.225,449 2.17,450 0.182,451 -0.778,452 -0.984,454 -1.908,455 -0.698,456 0.356,457 -0.514,458 2,459 -0.008,460 -0.947,461 -1.181,463 -2.352,464 -0.878,465 0.005,466 -0.771,467 2,468 -0.386,469 -1.318,470 -1.627,472 -3.081,473 -1.074,474 10.081,475 0.48,476 0.593,477 0.028,478 25.75,479 1.226,480 11.5,481 0.548,482 14.25,483 0.679,484 17.427,485 0.83,486 22.919,487 0.619,488 18.135,489 0.864,490 5.237,491 0.249,492 4.842,493 0.231,494 0.253,496 0.436,501 0.754,502 1.467,503 0.599,504 1.054,505 0.575,506 0.935,507 0.672,508 0.793,509 0.576,510 0.587,511 0.472,512 0.612,513 0.917,514 1.075,515 0.751,516 0.925,517 0.756,518 0.86,519 1.334,520 1.172,521 1.167,522 1.076,523 1.231,524 1.111,525 0.843,526 1.146,527 1.267,528 1.301,529 0.847,530 1.26,531 1.023,532 1.005,533 1.362,534 1.21,535 0.918,536 1.109,537 1.111,538 0.801,539 1.154,540 0.971,541 1.03,542 0.975,543 1.288,544 1.296,545 1.337,546 1.351,547 1.66,548 1.257,549 4,550 0.017,551 2.889,552 2.514,553 1.779,554 0.799,555 0.43,556 0.306,557 0.168,558 0.065,559 3674,560 11217,561 2.018,562 43.2,563 2,564 11,567 1,568 2,572 1.637,573 1.826,574 2.992,575 -0.244,576 1,577 1,579 1,582 63.392,583 1.713,584 3.693,585 4.391,586 4.716,587 4.716,588 4.716,589 2.529,590 4.107,591 4.357,592 3.101,593 651.238,594 7.497,595 6559.76,596 1,597 1,598 1,599 1,600 192.75,601 1.545,602 4.289,603 0.174,604 0.006,605 0.085,606 0.068,607 0.052,608 0.03,609 0.023,610 0.02,611 0.015,612 0.011,613 0.483,614 0.67,615 1,616 1.444,617 92.386,618 -0.054,619 -0.26,620 0.028,621 -0.095,622 -0.044,623 -0.021,624 0.19,625 0.334,626 0.178,627 0.342,628 0.178,629 0.311,630 0.032,631 -0.004,632 0.131,633 0.067,634 0.032,635 0.089,636 -0.241,637 -0.099,638 -0.156,639 -0.081,640 -0.186,641 -0.188,642 0.067,643 -0.167,644 -0.109,645 -0.274,646 0.065,647 -0.268,648 -0.041,649 -0.164,650 -0.097,651 -0.172,652 -0.037,653 -0.068,654 0.043,655 0.062,656 -0.05,657 0.018,658 -0.026,659 0.023,660 -0.185,661 -0.375,662 -0.274,663 -0.393,664 -0.16,665 -0.295,666 2.195,667 4.391,668 0.571,669 15.46,670 1.013,671 1.129,672 1.812,673 3.283,674 0.679,675 3.178,676 3.555,677 3.932,678 4.277,679 4.511,680 4.673,681 4.836,682 4.905,683 4.868,684 4.771,685 4.751,686 0.649,687 305.79,688 3.178,689 4.745,690 5.645,691 6.572,692 7.499,693 8.438,694 9.375,695 10.319,696 11.262,697 12.209,698 8.1,705 1,706 1,707 1,714 2,715 2,720 4,721 1,722 10,725 1,737 1,740 1,741 37,743 12,744 1,745 23,747 39,748 15,749 8,750 4,751 2,752 1,756 3,757 6,758 1,767 2,770 2,772 10,773 5,777 2,782 1,785 1,786 2,789 1,790 1,793 16,794 4,795 1,796 6,797 1,802 3,808 0.333,809 2,824 1,828 2,829 1,831 1,832 1,835 1,859 1,864 3,865 1,868 21,876 2,877 1,878 1,892 1,893 5.4,896 1,898 1,901 11.5,902 7.793,903 4.722,904 2.176,907 2.406,908 1.342,909 0.986,910 3.675,911 9.434,912 3.434,913 4.115,914 4.797,915 5.479,916 6.05,917 6.51,918 6.961,919 7.329,920 7.479,921 7.558,922 0.833,923 37,924 7.736,926 3.275,927 0.026,929 7.807,931 14.688,933 12.018,936 2.307,937 48.444,941 176.567,942 78.133,943 36.695,944 39.149,945 36.145,948 78.133,949 251.86,950 36.695,951 25.189,952 23.08,953 18.952,954 27.902,955 44.187,956 11.663,957 176.567,958 39.149,959 176.567,960 114.829,961 36.145,962 39.149,964 176.567,965 36.145,968 41.764,969 73.064,970 39.149,972 176.567,973 72.84,974 117.282,977 176.567,978 33.992,979 46.041,980 18.011,981 92.079,982 176.567,983 72.84,984 117.282,986 0.587,987 0.375,988 0.208,989 0.115,990 18,991 9,992 0.051,993 2,994 2,995 1.333,996 3.153,997 171.307,998 0.333,999 12,1000 92.239,1005 14.419,1006 5.353,1007 2.136,1008 1.976,1009 70.941,1010 3.642,1015 3.163,1016 2.107,1017 18.011,1018 366.689,1019 30,1024 11.391,1027 4.356,1028 0.563,1031 37.469,1032 41.764,1034 0.329,1035 0.709,1036 0.843,1037 0.905,1038 0.905,1039 0.905,1040 4.705,1041 0.774,1042 5.673,1043 3.527,1044 4.234,1045 4.8,1046 2.441,1047 6.597,1048 4.119,1049 5.963,1050 0.511,1051 7.307,1052 1.853,1053 4.007,1054 4.89,1055 1.784,1056 7.727,1057 3.828,1058 7.326,1059 0.31,1060 9.042,1061 0.981,1062 5.932,1063 7.15,1064 3.546,1065 10.907,1066 5.725,1067 8.731,1068 0.08,1069 10.835,1070 0.459,1071 6.538,1072 8.08,1073 3.59,1074 12.88,1075 6.271,1076 10.169,1077 -0.342,1078 12.666,1079 0.136,1080 7.971,1081 9.87,1082 4.918,1083 15.613,1084 7.683,1085 11.633,1086 -0.778,1087 14.523,1088 -0.874,1089 8.936,1090 11.17,1091 5.289,1092 17.929,1093 8.6,1094 13.117,1095 -0.947,1096 16.4,1097 -1.908,1098 10.212,1099 12.807,1100 6.39,1101 20.525,1102 9.852,1103 3.446,1104 -1.318,1105 18.294,1106 -2.352,1107 11.33,1108 14.267,1109 6.93,1110 22.978,1111 10.931,1112 2.841,1113 12.74,1114 20.2,1115 -3.081,1116 12.561,1117 15.855,1118 7.902,1119 25.532,1120 12.135,1121 2.422,1122 9.682,1123 22.118,1124 4.831,1125 13.743,1126 17.38,1127 8.539,1128 28.038,1129 13.281,1130 2.211,1131 7.799,1132 24.044,1133 3.709,1134 14.965,1135 18.955,1136 9.436,1137 30.581,1138 14.473,1139 1.976,1140 6.895,1141 25.978,1142 3.144,1143 16.174,1144 20.508,1145 10.13,1146 33.109,1147 15.648,1148 1.491,1149 5.578,1150 27.918,1151 2.863,1152 17.398,1153 22.08,1154 10.981,1155 35.651,1156 16.84,1157 1.35,1158 4.551,1159 29.863,1160 2.626,1161 18.619,1162 23.644,1163 11.71,1164 38.187,1165 18.027,1166 3746,1167 6648,1168 14.74,1169 25.114,1170 34.831,1171 36.604,1172 38.199,1173 34.867,1174 34.824,1175 45.594,1176 7.077,1177 108.401,1178 32.628,1179 5.703,1180 5.703,1181 6.772,1182 5.467,1183 5.446,1184 7.831,1185 3.889,1186 20.428,1187 5.319,1188 12.334,1189 1.514,1190 1.591,1191 1.661,1192 1.516,1193 1.514,1194 1.982,1195 0.308,1196 4.713,1197 1.419,1198 4.187,1199 4.214,1200 4.213,1201 4.107,1202 7.435,1203 4.115,1204 3.704,1205 3.737,1206 3.744,1207 3.584,1208 5.041,1209 3.587,1210 3.533,1211 3.597,1212 3.458,1213 3.232,1214 4.71,1215 3.276,1216 3.333,1217 3.416,1218 3.393,1219 3.11,1220 4.428,1221 3.117,1222 3.235,1223 3.333,1224 3.103,1225 3.026,1226 4.382,1227 3.02,1228 2.972,1229 3.023,1230 3.005,1231 2.81,1232 4.13,1233 2.783,1234 2.909,1235 2.957,1236 2.766,1237 2.694,1238 3.896,1239 2.696,1240 2.737,1241 2.792,1242 2.616,1243 2.525,1244 3.811,1245 2.525,1246 0.211,1247 0.161,1248 0.314,1249 0.192,1250 0.15,1251 4.855,1252 0.21,1253 3.703,1254 0.095,1255 7.221,1256 0.554,1257 4.41,1258 0.144,1259 3.446,1260 4.831,1261 2.186,1262 12.74,1263 3.319,1264 1.933,1265 1.92,1266 1.989,1267 2.028,1268 1.225,1269 2.02,1270 1.639,1271 1.592,1272 1.781,1273 1.822,1274 1.029,1275 1.807,1276 1.537,1277 1.477,1278 1.758,1279 1.73,1280 0.926,1281 1.741,1282 1.405,1283 1.337,1284 1.69,1285 1.719,1286 0.682,1287 1.715,1288 1.23,1289 1.14,1290 1.574,1291 1.485,1292 0.615,1293 1.52,1294 1.035,1295 0.952,1296 1.339,1297 1.252,1298 0.494,1299 1.279,1300 0.875,1301 0.832,1302 1.067,1303 1.196,1304 0.107,1305 1.178,1306 0.702,1307 0.66,1308 0.912,1309 0.873,1310 0.053,1311 0.901,1312 3.85,1314 5.209,1315 3.045,1316 6.774,1317 5.533,1318 8.441,1319 7.751,1320 10.168,1322 5.329,1323 6.472,1328 1.824,1329 2.418,1330 5.203,1340 24.009,1341 63.392,1342 136.644,1343 162.485,1344 174.485,1345 174.485,1346 174.485,1347 30.868,1348 7.028,1349 55.62,1350 55.62,1351 16,1352 12.701,1353 3.7,1354 3,1355 32.028,1356 59,1357 68,1358 0.284,1359 151.619,1360 259.13,1361 361.711,1362 8608,1363 2.7,1364 15.146,1365 0.721,1366 0.615,1367 15.646,1368 12.914,1369 10.079,1370 0.438,1371 0.309,1372 6.645,1373 9.354,1374 6.359,1375 5.29,1376 10.368,1377 7.112,1378 9.033,1379 0.266,1380 0.157,1381 9.366,1382 5.346,1383 8.329,1384 0.167,1385 0.086,1386 8.757,1387 4.306,1388 7.074,1389 0.1,1390 0.046,1391 7.472,1392 3.287,1393 5.728,1394 0.064,1395 0.025,1396 6.14,1397 2.255,1398 0.423,1399 66.78,1400 0.26,1401 20.18,1402 0.847,1403 114,1404 355.298,1405 141.463,1406 368.018,1407 497.51,1408 344,1409 141,1410 349.11,1411 166.981,1412 361.732,1413 539.14,1414 339,1415 6.638}
{0 CHEMBL155768,1 1.325,2 6.933,3 2.413,4 5.823,5 61.122,6 6.353,7 0.375,8 3.521,9 3.654,10 2.958,11 3.082,12 4.477,13 3.019,14 4.099,15 4.303,16 3.265,17 3.473,18 4.98,19 3.374,20 4.403,21 4.654,22 3.285,23 3.601,24 5.262,25 3.459,26 4.437,27 4.717,28 3.08,29 3.436,30 5.375,31 3.277,32 4.163,33 4.444,34 2.871,35 3.211,36 5.099,37 3.072,38 3.879,39 4.114,40 2.644,41 3.129,42 4.756,43 2.956,44 3.881,45 4.173,46 2.257,47 2.963,48 4.625,49 2.725,50 3.508,51 3.832,52 1.725,53 2.556,54 4.083,55 2.273,56 0.028,57 0.438,58 7.503,59 3.212,60 4.248,61 4.528,62 0.139,63 0.729,64 13.728,65 5.254,66 10.835,67 7.663,68 0.124,69 0.902,70 18.575,71 7.011,72 17.049,73 10.2,74 0.214,75 0.839,76 19.641,77 6.622,78 34.762,79 9.591,80 0.193,81 0.64,82 14.964,83 4.927,84 30.894,85 7.137,86 0.077,87 0.522,88 10.824,89 4.489,90 15.446,91 6.301,92 0.091,93 0.479,94 10.809,95 4.349,96 17.543,97 6.201,98 0.038,99 0.326,100 7.209,101 3.026,102 8.058,103 4.426,104 5,105 21,106 0.254,107 0.538,108 0.701,109 0.747,110 0.763,111 0.763,112 2.794,113 1.053,114 -3.93,115 -3.89,116 -3.69,121 40.6,122 1,123 2,124 1,127 2,144 5,145 1,160 1,176 9,179 1,180 4,187 9,192 5,200 3,206 7,214 2,219 3,227 5,232 1,239 7,251 6,264 3,277 1,281 216,282 10.121,283 10.121,284 10.121,285 10.121,286 10.121,287 9.303,288 8.136,289 6.139,290 10.21,291 7.878,292 7.878,293 7.878,294 7.878,295 7.878,296 6.656,297 8.198,298 2.922,299 7.997,300 3.675,301 2.195,302 1.347,303 1.11,304 1.024,305 1.024,306 3.442,311 1,312 1,313 217,314 2.121,318 96.177,325 1.013,326 10.573,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 31.5,338 104,339 4.238,340 3.693,341 6.39,342 3.954,343 2.971,344 3.716,345 1.2,346 9.665,347 2.917,348 3.587,349 2.561,350 5.307,351 3.43,352 2.439,353 2.8,354 0.293,355 6.651,356 2.417,357 3.272,358 2.198,359 4.927,360 3.03,361 2.052,362 2.353,364 5.659,365 2.002,366 2.808,367 1.968,368 3.876,369 2.47,370 1.479,371 1.885,373 3.283,374 1.461,375 2.5,376 1.323,377 3.414,378 2,379 1,380 1.5,382 2.275,383 1,384 2.282,385 1.077,386 3.324,387 1.984,388 1,389 1.065,391 2.136,392 0.983,393 2,394 1,395 3.247,396 1.812,397 0.771,398 1,400 1.852,401 0.793,402 0.843,403 0.05,404 2.306,405 0.748,406 -0.256,407 -0.27,409 -0.549,410 -0.256,411 0.741,412 -0.477,413 2,414 0.28,415 -0.752,416 -1,418 -1.61,419 -0.77,420 0.5,421 -0.784,422 1.668,424 -1,425 -1.072,427 -2.347,428 -0.946,430 -0.932,431 1.555,432 -0.049,433 -1,434 -1.328,436 -2.969,437 -1,438 -0.034,439 -1,440 1.351,441 -0.223,442 -1.23,443 -1.5,445 -3,446 -1.236,447 -0.389,448 -1.421,449 1,450 -0.55,451 -1.57,452 -1.933,454 -4.242,455 -1.598,456 -0.5,457 -1.764,458 0.85,459 -0.951,460 -1.903,461 -2,463 -4.789,464 -1.83,465 -0.847,466 -1.893,467 0.586,468 -1,469 -2,470 -2.215,471 -0.4,472 -5.275,473 -1.936,474 7.233,475 0.482,476 0.315,477 0.021,478 16.5,479 1.1,480 7.5,481 0.5,482 9,483 0.6,484 11.451,485 0.763,486 16.767,487 0.524,488 9.162,489 0.611,490 3.026,491 0.202,492 4.245,493 0.283,494 0.115,496 0.263,501 0.622,502 1.368,503 0.93,504 1.188,505 0.516,506 1.102,507 0.704,508 1.124,509 1.005,510 1.058,511 0.514,512 1.05,513 0.851,514 1.151,515 0.992,516 1.122,517 0.699,518 1.071,519 1.651,520 0.965,521 1.026,522 0.923,523 1.743,524 0.919,525 1.899,526 0.673,527 1.014,528 0.674,529 1.947,530 0.745,531 0.948,532 1.125,533 1.208,534 1.227,535 1.048,536 1.246,537 0.901,538 0.944,539 1.089,540 1.04,541 1.079,542 1.087,543 0.148,544 0.971,545 0.916,546 1.068,547 0.185,548 1.07,549 2.5,551 1.778,552 0.938,553 0.573,554 0.25,555 0.16,556 0.111,557 0.037,558 0.016,559 1608,560 3202,561 2.032,562 53.1,563 4,564 9,569 4,572 1.529,573 1.915,574 2.843,575 -0.846,579 1,582 42.407,583 1.325,584 2.805,585 3.653,586 3.89,587 3.976,588 3.976,589 2.257,590 3.374,591 3.88,592 2.877,593 302.126,594 6.495,595 2454.97,597 1,600 160,601 1.338,602 3.843,603 0.156,605 0.085,606 0.047,607 0.038,608 0.019,609 0.016,610 0.019,611 0.012,612 0.016,613 0.408,614 1,615 1,616 0.648,617 58.523,618 0.028,619 -0.157,620 0.05,621 -0.048,622 0.001,623 -0.007,624 0.123,625 0.011,626 -0.02,627 -0.029,628 0.058,629 -0.037,630 0.023,631 -0.141,632 -0.024,633 -0.141,634 0.076,635 -0.092,636 -0.102,637 -0.052,638 -0.009,639 -0.017,640 -0.075,641 -0.007,642 -0.222,643 0.264,644 0.02,645 0.223,646 -0.179,647 0.158,648 -0.119,649 -0.139,650 -0.26,651 -0.202,652 -0.1,653 -0.239,654 -0.105,655 -0.063,656 -0.159,657 -0.074,658 -0.131,659 -0.118,660 0.07,661 -0.114,662 -0.042,663 -0.109,664 0.022,665 -0.091,666 1.484,667 5.032,668 0.8,669 7.76,670 0.984,671 1.126,672 2.7,673 7.292,674 0.642,675 2.833,676 3.091,677 3.296,678 3.434,679 3.611,680 3.434,681 3.367,682 3.219,683 3.045,684 2.833,685 4.108,686 0.592,687 203.31,688 2.833,689 4.317,690 5.13,691 5.964,692 6.795,693 7.634,694 8.471,695 9.312,696 10.152,697 10.994,698 3.1,705 1,715 5,720 1,722 6,730 1,741 32,743 7,744 1,745 16,747 33,748 13,749 6,750 1,751 5,752 1,756 2,757 2,763 1,767 2,768 1,770 2,772 7,773 6,774 1,777 1,782 1,786 1,790 1,793 17,794 2,796 2,802 1,808 1,809 1,829 2,859 2,864 1,868 15,876 4,880 1,881 1,893 3.1,896 1,901 7.833,902 5.867,903 3.389,904 2.132,907 1.132,908 1.201,909 0.941,910 3.172,911 6.764,912 3.045,913 3.481,914 3.927,915 4.299,916 4.7,917 4.512,918 4.676,919 4.49,920 4.473,921 4.447,922 0.8,923 20,924 5.584,925 -0.001,926 2.302,927 0.026,929 7.611,931 11.009,933 9.051,936 2.111,937 31.667,938 0.008,941 200.109,942 73.377,943 3.124,945 25.145,948 73.377,949 225.254,950 3.124,951 8.825,952 12.405,953 47.381,954 29.85,955 3.186,957 200.109,959 200.109,960 76.501,961 25.145,964 153.024,965 72.229,968 21.23,969 55.271,972 200.109,973 28.269,974 73.377,977 200.109,978 17.171,979 59.331,981 25.145,982 200.109,983 28.269,984 73.377,986 0.57,987 0.327,988 0.164,989 0.091,990 10,991 4,992 0.03,993 1,995 1,996 2.768,997 93.556,999 12,1000 50.603,1005 10.377,1006 4.584,1007 2.453,1009 28.269,1010 9.551,1015 0.812,1018 301.755,1019 20,1024 12.032,1028 0.183,1031 31.498,1032 36.029,1034 0.265,1035 0.561,1036 0.731,1037 0.778,1038 0.795,1039 0.795,1040 4.241,1041 -0.256,1042 5.081,1043 1.852,1044 3.761,1045 4.159,1046 1.356,1047 5.814,1048 3.733,1049 5.372,1050 -0.752,1051 6.597,1052 -0.549,1053 3.219,1054 3.651,1055 0.325,1056 6.597,1057 3.172,1058 6.621,1059 -1,1060 8.219,1061 -1.61,1062 5.273,1063 6.108,1064 1.511,1065 9.666,1066 5.208,1067 7.901,1068 -1,1069 9.904,1070 -2.347,1071 5.565,1072 6.426,1073 0.653,1074 11.305,1075 5.484,1076 9.219,1077 -1.23,1078 11.631,1079 -2.969,1080 7.076,1081 8.372,1082 1.739,1083 13.884,1084 6.975,1085 10.562,1086 -1.57,1087 13.387,1088 -3,1089 7.763,1090 9.097,1091 1.001,1092 15.871,1093 7.647,1094 11.924,1095 -1.903,1096 15.165,1097 -4.242,1098 9.035,1099 10.797,1100 1.993,1101 18.273,1102 8.899,1103 2.971,1104 -2,1105 16.959,1106 -4.789,1107 9.922,1108 11.746,1109 1.37,1110 20.413,1111 9.768,1112 2.439,1113 9.665,1114 18.764,1115 -5.275,1116 11.086,1117 13.306,1118 2.264,1119 22.743,1120 10.912,1121 2.052,1122 6.651,1123 20.58,1124 3.716,1125 12.072,1126 14.389,1127 1.754,1128 24.952,1129 11.881,1130 1.479,1131 5.659,1132 22.402,1133 2.8,1134 13.188,1135 15.863,1136 2.551,1137 27.249,1138 12.978,1139 1,1140 3.283,1141 24.231,1142 2.353,1143 14.225,1144 17.028,1145 2.143,1146 29.489,1147 13.995,1148 1,1149 2.275,1150 26.064,1151 1.885,1152 15.322,1153 18.446,1154 2.851,1155 31.771,1156 15.073,1157 0.771,1158 2.136,1159 27.901,1160 1.5,1161 16.383,1162 19.663,1163 2.535,1164 34.027,1165 16.115,1166 1646,1167 2395,1168 10.633,1169 20.551,1170 23.872,1171 24.491,1172 24.221,1173 23.448,1174 23.423,1175 28.637,1176 2.986,1177 63.04,1178 23.145,1179 5.238,1180 5.693,1181 6.192,1182 4.989,1183 4.971,1184 6.716,1185 2.293,1186 16.404,1187 4.917,1188 6.062,1189 1.492,1190 1.531,1191 1.514,1192 1.465,1193 1.464,1194 1.79,1195 0.187,1196 3.94,1197 1.447,1198 3.959,1199 3.999,1200 3.889,1201 3.867,1202 7.428,1203 3.866,1204 3.81,1205 3.86,1206 3.688,1207 3.7,1208 4.728,1209 3.689,1210 3.345,1211 3.406,1212 3.241,1213 3.135,1214 4.31,1215 3.153,1216 3.111,1217 3.206,1218 2.866,1219 2.941,1220 3.807,1221 2.91,1222 3.013,1223 3.074,1224 2.82,1225 2.829,1226 3.674,1227 2.815,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.549,1233 2.715,1234 2.613,1235 2.723,1236 2.394,1237 2.376,1238 3.474,1239 2.365,1240 2.397,1241 2.454,1242 2.153,1243 2.075,1244 3.066,1245 2.088,1246 0.265,1247 0.231,1248 0.399,1249 0.247,1250 0.186,1251 4.238,1252 0.232,1253 3.693,1254 0.075,1255 6.39,1256 0.604,1257 3.954,1258 0.182,1259 2.971,1260 3.716,1261 1.2,1262 9.665,1263 2.917,1264 1.922,1265 1.891,1266 2.08,1267 2.056,1268 1.429,1269 2.064,1270 1.821,1271 1.767,1272 2.001,1273 1.943,1274 1.074,1275 1.965,1276 1.294,1277 1.23,1278 1.589,1279 1.542,1280 0.825,1281 1.558,1282 1.153,1283 1.064,1284 1.513,1285 1.376,1286 0.76,1287 1.429,1288 0.998,1289 0.939,1290 1.233,1291 1.231,1292 0.333,1293 1.235,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 0.631,1301 0.523,1302 1.048,1303 0.916,1304 0.195,1305 0.968,1306 0.304,1307 0.247,1308 0.785,1309 0.668,1311 0.657,1312 3.497,1314 4.762,1316 6.24,1318 7.802,1320 9.402,1322 2.254,1328 4.098,1332 0.768,1333 1.968,1340 18.951,1341 42.407,1342 89.761,1343 116.881,1344 124.49,1345 127.245,1346 127.245,1347 21.341,1348 5.631,1349 20.31,1350 20.31,1351 12,1352 11.558,1353 3,1354 2.322,1355 23.609,1356 36,1357 35,1358 0.332,1359 119.765,1360 207.07,1361 283.987,1362 1524,1364 10.673,1365 0.712,1366 0.61,1367 10.673,1368 9.148,1369 7.271,1370 0.454,1371 0.351,1372 5.572,1373 7.108,1374 5.403,1375 4.525,1376 7.271,1377 5.615,1378 6.277,1379 0.299,1380 0.207,1381 6.277,1382 4.341,1383 5.197,1384 0.2,1385 0.119,1386 5.197,1387 3.092,1388 3.856,1389 0.129,1390 0.066,1391 3.856,1392 1.975,1393 3.063,1394 0.085,1395 0.041,1396 3.063,1397 1.472,1398 0.5,1399 44.777,1400 0.307,1401 15.204,1402 0.963,1403 74,1404 179.381,1405 78.629,1406 175.518,1407 237.13,1408 164,1409 84,1410 169.453,1411 89.157,1412 173.226,1413 251.03,1414 163,1415 5}
{0 CHEMBL155863,1 1.508,2 9.545,3 3.583,4 12.835,5 86.518,6 6.963,7 0.417,8 3.851,9 3.977,10 3.365,11 3.353,12 4.891,13 3.329,14 4.412,15 4.612,16 3.73,17 3.746,18 5.451,19 3.699,20 4.572,21 4.786,22 3.766,23 3.844,24 5.545,25 3.782,26 4.577,27 4.772,28 3.702,29 3.853,30 5.594,31 3.782,32 4.601,33 4.814,34 3.588,35 3.847,36 5.534,37 3.729,38 4.669,39 4.941,40 3.45,41 3.75,42 5.49,43 3.604,44 4.52,45 4.791,46 3.285,47 3.582,48 5.377,49 3.433,50 4.336,51 4.605,52 3.084,53 3.393,54 5.244,55 3.241,56 0.016,57 0.631,58 9.604,59 3.894,60 5.777,61 5.409,62 0.336,63 1.001,64 18.42,65 6.297,66 30.388,67 9.224,68 0.212,69 1.126,70 21.848,71 7.628,72 25.583,73 10.906,74 0.261,75 1.136,76 21.936,77 7.339,78 32.471,79 10.42,80 0.196,81 1.137,82 22.219,83 8.265,84 25.987,85 11.849,86 0.212,87 1.099,88 24.988,89 8.546,90 28.303,91 12.669,92 0.353,93 0.925,94 21.84,95 7.315,96 28.034,97 10.708,98 0.139,99 0.78,100 17.834,101 6.038,102 23.679,103 8.981,104 29,105 34,106 0.265,107 0.613,108 0.801,109 0.861,110 0.861,111 0.861,112 3.147,113 0.962,114 -3.02,115 -3.02,116 -2.91,121 39.5,122 1,123 3,126 2,127 1,144 3,145 2,146 1,154 2,159 1,161 1,176 6,179 1,180 7,183 2,187 5,191 1,192 9,200 5,206 4,211 2,214 4,218 1,219 6,224 2,227 5,232 4,237 1,239 4,243 2,244 1,247 1,249 1,251 3,256 1,261 1,264 3,268 1,269 1,272 1,277 1,281 610,282 15.016,283 15.016,284 15.016,285 15.016,286 15.016,287 13.437,288 18.645,289 8.875,290 15.367,291 11.742,292 11.742,293 11.742,294 11.742,295 11.742,296 9.161,297 20.397,298 4.09,299 12.256,300 3.918,301 1.93,302 0.861,303 0.518,304 0.518,305 0.518,306 3.825,310 1,311 1,312 1,313 439,314 3.391,317 75.888,318 46.85,320 62.221,321 68.319,324 95.554,325 1.645,326 16.524,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 47.5,338 210,339 4.804,340 3.663,341 7.127,342 4.369,343 3.399,344 4.757,345 2.186,346 12.389,347 3.301,348 4.052,349 3.537,350 6.1,351 3.641,352 2.684,353 3.542,354 0.986,355 8.764,356 2.574,357 3.769,358 2.904,359 5.617,360 3.372,361 2.429,362 3.087,363 0.366,364 7.278,365 2.262,366 3.474,367 2.55,368 5.419,369 3.062,370 2.104,371 2.799,373 6.791,374 2.007,375 3.388,376 2.291,377 4.873,378 2.952,379 1.977,380 2.619,382 5.322,383 1.913,384 2.99,385 1.846,386 4.691,387 2.576,388 1.619,389 2.116,391 4.655,392 1.544,393 2.487,394 1.484,395 3.86,396 2.277,397 1.297,398 1.482,400 2.855,401 1.269,402 2.316,403 1.187,404 3.504,405 2.041,406 1.046,407 1.287,409 2.427,410 1.04,411 1.889,412 1.106,413 3.427,414 1.697,415 0.723,416 0.816,418 1.756,419 0.702,420 1.51,421 0.89,422 2.911,423 1.305,424 0.389,425 0.416,427 0.59,428 0.352,429 1.339,430 0.656,431 2.621,432 1.164,433 0.207,434 0.217,436 0.337,437 0.198,438 1.197,439 0.474,440 2.471,441 0.796,442 -0.174,443 -0.221,445 -0.388,446 -0.165,447 0.787,448 -0.211,449 2.277,450 0.409,451 -0.561,452 -0.703,454 -1.314,455 -0.54,456 0.594,457 -0.362,458 2.145,459 0.164,460 -0.812,461 -1.02,463 -1.896,464 -0.783,465 0.47,466 -0.599,467 2,468 0.07,469 -0.918,470 -1.261,472 -2.485,473 -0.902,474 10.367,475 0.471,476 0.521,477 0.024,478 26,479 1.182,480 11.5,481 0.523,482 14.5,483 0.659,484 18.449,485 0.839,486 24.433,487 0.568,488 17.943,489 0.816,490 5.047,491 0.229,492 5.604,493 0.255,494 0.177,496 0.376,501 0.794,502 1.475,503 0.835,504 1.217,505 0.604,506 1.055,507 0.663,508 0.951,509 0.783,510 0.834,511 0.447,512 0.813,513 1.029,514 1.032,515 0.868,516 0.936,517 0.788,518 0.886,519 1.418,520 1.081,521 1.2,522 1.035,523 1.225,524 1.072,525 0.817,526 1.237,527 1.158,528 1.306,529 0.903,530 1.286,531 0.819,532 1.042,533 0.923,534 1.051,535 0.703,536 1.011,537 0.87,538 0.857,539 0.969,540 0.954,541 0.763,542 0.982,543 0.843,544 1.175,545 0.988,546 1.177,547 1.179,548 1.118,549 4,550 0.033,551 2.444,552 2.201,553 1.268,554 0.743,555 0.541,556 0.347,557 0.199,558 0.089,559 4499,560 11006,561 2.043,562 48.8,563 5,564 11,567 1,568 2,569 2,572 1.647,573 1.886,574 3.199,575 -0.31,577 1,579 1,582 64.849,583 1.508,584 3.496,585 4.565,586 4.908,587 4.908,588 4.908,589 2.699,590 4.278,591 4.418,592 3.319,593 766.585,594 7.609,595 8179.16,597 1,599 1,600 233.329,601 1.495,602 4.376,603 0.167,604 0.007,605 0.072,606 0.063,607 0.04,608 0.028,609 0.024,610 0.018,611 0.013,612 0.01,613 0.44,614 0.67,615 1,616 1.593,617 100.198,618 -0.018,619 -0.235,620 0.064,621 -0.097,622 -0.031,623 -0.019,624 0.274,625 0.177,626 0.174,627 0.179,628 0.225,629 0.17,630 -0.043,631 0.025,632 0.097,633 0.078,634 0.005,635 0.103,636 -0.261,637 0.019,638 -0.226,639 -0.032,640 -0.14,641 -0.107,642 -0.021,643 -0.186,644 -0.228,645 -0.272,646 -0.06,647 -0.279,649 -0.123,650 0.042,651 -0.073,652 0.014,653 -0.017,654 0.112,655 0.055,656 0.017,657 0.008,658 0.044,659 -0.006,660 0.003,661 -0.257,662 -0.022,663 -0.203,664 -0.013,665 -0.129,666 2.114,667 4.369,668 0.545,669 19.926,670 0.998,671 1.131,672 1.787,673 3.194,674 0.646,675 3.219,676 3.555,677 3.892,678 4.234,679 4.466,680 4.644,681 4.836,682 4.942,683 4.92,684 4.898,685 5.384,686 0.61,687 299.41,688 3.219,689 4.762,690 5.638,691 6.547,692 7.455,693 8.38,694 9.304,695 10.237,696 11.169,697 12.107,698 7,705 1,706 1,707 1,714 2,715 3,720 3,721 1,722 10,725 1,737 1,741 43,743 12,744 1,745 24,747 45,748 17,749 8,750 3,751 3,752 1,756 3,757 6,763 1,767 2,770 3,772 10,773 7,777 2,782 1,785 1,786 2,789 1,790 1,793 21,794 4,795 1,796 5,802 3,808 0.333,809 2,824 1,828 2,829 1,831 1,832 1,835 1,859 1,864 3,868 22,876 4,877 1,878 1,893 4.7,896 1,898 1,901 11.667,902 8.733,903 5,904 2.832,907 2.503,908 1.351,909 0.977,910 4.209,911 9.638,912 3.466,913 4.099,914 4.753,915 5.431,916 5.998,917 6.453,918 6.926,919 7.328,920 7.477,921 7.625,922 0.857,923 35,924 8.13,926 3.377,927 0.026,929 7.667,931 15.76,933 12.839,936 2.167,937 47.667,940 1,941 235.422,942 89.178,943 36.695,945 36.145,948 89.178,949 271.567,950 36.695,951 25.618,952 27.72,953 28.429,954 27.902,955 40.686,956 11.663,957 235.422,959 235.422,960 125.873,961 36.145,964 211.88,965 59.687,968 55.23,969 70.644,972 235.422,973 72.84,974 89.178,977 235.422,978 35.131,979 55.946,980 18.011,981 52.93,982 235.422,983 72.84,984 89.178,986 0.572,987 0.345,988 0.193,989 0.11,990 17,991 8,992 0.089,993 4,994 2,995 1.333,996 3.359,997 175.929,998 0.333,999 12,1000 98.107,1005 15.104,1006 6.131,1007 2.668,1008 2.304,1009 70.941,1010 5.783,1015 3.12,1016 2.204,1017 18.011,1018 397.44,1019 31,1024 11.369,1027 4.724,1028 0.751,1031 42.912,1032 48.651,1034 0.278,1035 0.644,1036 0.841,1037 0.905,1038 0.905,1039 0.905,1040 4.714,1041 1.046,1042 5.638,1043 2.855,1044 4.234,1045 4.783,1046 2.441,1047 6.518,1048 4.154,1049 5.942,1050 0.723,1051 7.236,1052 2.427,1053 3.892,1054 4.783,1055 1.784,1056 7.564,1057 3.774,1058 7.283,1059 0.389,1060 8.939,1061 1.756,1062 5.878,1063 7.086,1064 3.546,1065 10.738,1066 5.724,1067 8.667,1068 0.207,1069 10.705,1070 0.59,1071 6.399,1072 7.952,1073 3.59,1074 12.669,1075 6.214,1076 10.087,1077 -0.174,1078 12.512,1079 0.337,1080 7.864,1081 9.766,1082 4.918,1083 15.385,1084 7.65,1085 11.535,1086 -0.561,1087 14.349,1088 -0.388,1089 8.779,1090 11.025,1091 5.289,1092 17.678,1093 8.54,1094 13.005,1095 -0.812,1096 16.21,1097 -1.314,1098 10.065,1099 12.668,1100 6.39,1101 20.253,1102 9.8,1103 3.399,1104 -0.918,1105 18.088,1106 -1.896,1107 11.155,1108 14.102,1109 6.93,1110 22.686,1111 10.865,1112 2.684,1113 12.389,1114 19.982,1115 -2.485,1116 12.385,1117 15.686,1118 7.902,1119 25.219,1120 12.07,1121 2.429,1122 8.764,1123 21.887,1124 4.757,1125 13.549,1126 17.193,1127 8.539,1128 27.704,1129 13.209,1130 2.104,1131 7.278,1132 23.803,1133 3.542,1134 14.766,1135 18.758,1136 9.436,1137 30.224,1138 14.399,1139 1.977,1140 6.791,1141 25.727,1142 3.087,1143 15.961,1144 20.296,1145 10.13,1146 32.729,1147 15.568,1148 1.619,1149 5.322,1150 27.658,1151 2.799,1152 17.177,1153 21.855,1154 10.981,1155 35.246,1156 16.757,1157 1.297,1158 4.655,1159 29.594,1160 2.619,1161 18.386,1162 23.405,1163 11.71,1164 37.758,1165 17.939,1166 4560,1167 7260,1168 15.72,1169 27.779,1170 35.622,1171 37.194,1172 38.389,1173 35.737,1174 35.749,1175 46.276,1176 7.077,1177 106.33,1178 34.324,1179 5.653,1180 5.663,1181 6.988,1182 5.427,1183 5.399,1184 7.757,1185 3.889,1186 19.919,1187 5.301,1188 11.846,1189 1.484,1190 1.55,1191 1.6,1192 1.489,1193 1.49,1194 1.928,1195 0.295,1196 4.43,1197 1.43,1198 4.186,1199 4.216,1200 4.155,1201 4.1,1202 7.435,1203 4.11,1204 3.724,1205 3.772,1206 3.65,1207 3.596,1208 4.963,1209 3.599,1210 3.59,1211 3.648,1212 3.479,1213 3.409,1214 4.624,1215 3.396,1216 3.486,1217 3.557,1218 3.332,1219 3.219,1220 4.382,1221 3.256,1222 3.32,1223 3.409,1224 3.162,1225 3.098,1226 4.156,1227 3.102,1228 3.037,1229 3.123,1230 2.887,1231 2.869,1232 4.011,1233 2.864,1234 2.963,1235 3.018,1236 2.763,1237 2.703,1238 3.835,1239 2.701,1240 2.872,1241 2.949,1242 2.661,1243 2.674,1244 3.817,1245 2.662,1246 0.2,1247 0.153,1248 0.297,1249 0.182,1250 0.142,1251 4.804,1252 0.198,1253 3.663,1254 0.091,1255 7.127,1256 0.516,1257 4.369,1258 0.138,1259 3.399,1260 4.757,1261 2.186,1262 12.389,1263 3.301,1264 1.938,1265 1.919,1266 2.021,1267 2.04,1268 1.226,1269 2.033,1270 1.696,1271 1.638,1272 1.926,1273 1.88,1274 1.151,1275 1.893,1276 1.573,1277 1.515,1278 1.764,1279 1.77,1280 1.025,1281 1.766,1282 1.474,1283 1.409,1284 1.723,1285 1.73,1286 0.904,1287 1.724,1288 1.398,1289 1.327,1290 1.685,1291 1.64,1292 0.682,1293 1.672,1294 1.159,1295 1.086,1296 1.446,1297 1.383,1298 0.555,1299 1.407,1300 0.895,1301 0.831,1302 1.282,1303 1.212,1304 0.445,1305 1.2,1306 0.879,1307 0.795,1308 1.095,1309 1.146,1310 0.149,1311 1.18,1312 3.892,1314 5.22,1315 3.045,1316 6.749,1317 5.533,1318 8.38,1319 7.743,1320 10.078,1322 5.772,1328 3.932,1329 2.464,1330 5.243,1340 26.235,1341 64.849,1342 150.333,1343 196.31,1344 211.065,1345 211.065,1346 211.065,1347 29.877,1348 7.135,1349 55.62,1350 55.62,1351 16,1352 12.605,1353 3.7,1354 3,1355 34.437,1356 70,1357 81,1358 0.256,1359 162.471,1360 278.52,1361 388.189,1362 10245,1364 15.69,1365 0.713,1366 0.603,1367 15.69,1368 13.271,1369 10.651,1370 0.444,1371 0.321,1372 7.584,1373 10.208,1374 7.319,1375 6.132,1376 10.651,1377 7.699,1378 9.336,1379 0.275,1380 0.163,1381 9.336,1382 5.533,1383 8.167,1384 0.17,1385 0.085,1386 8.167,1387 4.102,1388 6.963,1389 0.102,1390 0.046,1391 6.963,1392 3.105,1393 5.63,1394 0.065,1395 0.025,1396 5.63,1397 2.152,1398 0.39,1399 66.936,1400 0.252,1401 21.451,1402 0.732,1403 116,1404 329.094,1405 128.276,1406 314.144,1407 437.74,1408 296,1409 140,1410 331.599,1411 151.671,1412 333.089,1413 494.11,1414 314,1415 5.416}
{0 CHEMBL155945,1 1.261,2 9.55,3 3.892,4 15.148,5 84.653,6 6.266,7 0.273,8 3.817,9 3.948,10 3.249,11 3.404,12 4.719,13 3.334,14 4.423,15 4.627,16 3.58,17 3.836,18 5.236,19 3.732,20 4.716,21 4.958,22 3.586,23 3.981,24 5.517,25 3.825,26 4.804,27 5.094,28 3.334,29 3.889,30 5.553,31 3.678,32 4.63,33 4.948,34 3.095,35 3.643,36 5.342,37 3.428,38 4.303,39 4.579,40 2.994,41 3.465,42 5.037,43 3.286,44 4.235,45 4.491,46 3.05,47 3.462,48 4.986,49 3.297,50 4.297,51 4.564,52 3.018,53 3.433,54 5.116,55 3.265,56 0.042,57 0.583,58 10.245,59 4.493,60 5.315,61 6.307,62 0.122,63 1.011,64 18.975,65 7.617,66 11.146,67 10.96,68 0.147,69 1.257,70 25.212,71 10.441,72 20.271,73 14.839,74 0.198,75 1.265,76 27.434,77 11.041,78 31.143,79 15.705,80 0.187,81 1.034,82 23.012,83 8.916,84 28.3,85 12.833,86 0.128,87 0.787,88 16.61,89 6.597,90 18.577,91 9.429,92 0.096,93 0.754,94 15.467,95 6.389,96 11.404,97 9.066,98 0.137,99 0.77,100 16.657,101 6.487,102 19.591,103 9.171,104 5,105 30,106 0.223,107 0.544,108 0.771,109 0.826,110 0.835,111 0.835,112 3.057,113 1.055,114 -4.69,115 -4.61,116 -4.33,121 41.9,123 5,124 1,126 1,127 2,137 1,138 1,144 4,145 2,159 1,176 14,180 4,187 17,192 5,200 14,206 4,214 11,219 3,227 9,232 2,239 8,244 3,251 8,256 1,264 6,268 1,269 2,277 4,281 466,282 13.637,283 13.637,284 13.637,285 13.637,286 13.637,287 12.573,288 14.653,289 8.142,290 13.729,291 10.855,292 10.855,293 10.855,294 10.855,295 10.855,296 9.207,297 16.538,298 3.88,299 10.969,300 4.165,301 2.359,302 1.076,303 0.762,304 0.715,305 0.715,306 3.74,310 1,311 1,312 1,313 416,314 2.449,317 41.774,318 120.283,321 81.585,325 1.395,326 12.295,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 41.5,338 191,339 4.497,340 3.701,341 6.681,342 4.178,343 3.163,344 4.074,345 0.8,346 10.729,347 3.206,348 3.704,349 2.803,350 5.518,351 3.593,352 2.619,353 3.083,354 0.68,355 7.164,356 2.559,357 3.605,358 2.683,359 5.409,360 3.234,361 2.234,362 2.616,364 6.877,365 2.237,366 3.151,367 2.381,368 4.89,369 3.04,370 2.092,371 2.263,373 5.693,374 1.969,375 3.071,376 2.208,377 4.814,378 2.747,379 1.729,380 2.1,382 5.069,383 1.755,384 2.872,385 1.615,386 3.682,387 2.422,388 1.422,389 2.017,391 3.061,392 1.421,393 2.462,394 1.323,395 3.544,396 2.123,397 1.12,398 1.349,400 2.536,401 1.122,402 2.031,403 1.249,404 3.414,405 1.984,406 1,407 1,409 2.275,410 0.983,411 2,412 1.077,413 3.294,414 1.773,415 0.739,416 0.95,418 1.762,419 0.761,420 1.354,421 0.384,422 2.761,423 1.143,424 0.151,425 0.163,427 0.354,428 0.15,429 0.977,430 0.2,431 2.283,432 0.738,433 -0.273,434 -0.323,436 -0.618,437 -0.273,438 0.698,439 -0.283,440 2,441 0.398,442 -0.623,443 -0.749,445 -1.413,446 -0.632,447 0.553,448 -0.72,449 2,450 0.171,451 -0.831,452 -1,454 -2.028,455 -0.832,456 0.19,457 -0.784,458 2,459 -0.049,460 -1,461 -1.115,463 -2.85,464 -0.946,466 -0.891,467 1.704,468 -0.106,469 -1.1,470 -1.282,472 -3,473 -1.081,474 9.733,475 0.487,476 0.435,477 0.022,478 21,479 1.05,480 9,481 0.45,482 12,483 0.6,484 17.959,485 0.898,486 22.067,487 0.513,488 12.079,489 0.604,490 3.775,491 0.189,492 5.962,493 0.298,494 0.086,496 0.298,501 0.631,502 1.273,503 0.948,504 1.138,505 0.51,506 1.076,507 0.934,508 1.005,509 1.03,510 0.99,511 0.544,512 0.999,513 0.799,514 1.11,515 1.056,516 1.148,517 0.689,518 1.122,519 1.017,520 0.983,521 1.001,522 1.02,523 1.105,524 1.016,525 1.075,526 0.775,527 0.85,528 0.795,529 1.156,530 0.806,531 1.12,532 0.915,533 1.003,534 0.935,535 1.198,536 0.958,537 0.847,538 1.056,539 0.997,540 1.076,541 0.918,542 1.053,543 1.409,544 1.02,545 1.022,546 0.998,547 1.667,548 0.991,549 3.5,550 0.068,551 2.222,552 1.514,553 0.684,554 0.368,555 0.212,556 0.213,557 0.158,558 0.072,559 4265,560 7950,561 2.107,562 53.5,563 7,564 12,569 4,572 1.61,573 2,574 3.233,575 -0.886,577 1,579 1,582 54.229,583 1.261,584 3.068,585 4.35,586 4.665,587 4.711,588 4.711,589 2.666,590 4.022,591 4.296,592 3.369,593 640.072,594 7.3,595 6737.65,597 1,599 1,600 233.329,601 1.295,602 4.266,603 0.159,604 0.008,605 0.074,606 0.054,607 0.034,608 0.023,609 0.014,610 0.013,611 0.011,612 0.006,613 0.396,614 0.83,615 1,616 0.548,617 90.152,618 0.035,619 -0.083,620 0.061,621 -0.004,622 0.018,623 0.023,624 -0.081,625 0.125,626 -0.025,627 0.046,628 0.022,629 0.025,630 0.001,631 -0.094,632 -0.084,633 -0.134,634 0.075,635 -0.115,636 -0.024,637 -0.065,638 -0.038,639 -0.058,640 0.009,641 -0.051,642 -0.014,643 0.117,644 0.114,645 0.133,646 -0.01,647 0.133,648 -0.086,649 0.044,650 -0.027,651 0.035,652 -0.119,653 0.012,654 0.007,655 -0.076,656 -0.029,657 -0.074,658 -0.031,659 -0.057,660 -0.064,661 -0.077,662 -0.025,663 -0.031,664 -0.129,665 -0.029,666 1.413,667 5.247,668 0.75,669 14.47,670 0.98,671 1.123,672 3.458,673 11.961,674 0.647,675 3.135,676 3.434,677 3.689,678 3.912,679 4.078,680 3.989,681 4.007,682 4.06,683 4.007,684 4.06,685 5.677,686 0.594,687 269.42,688 3.135,689 4.654,690 5.493,691 6.354,692 7.212,693 8.079,694 8.944,695 9.814,696 10.684,697 11.558,698 2.3,701 1,715 4,720 2,722 6,727 1,741 43,743 8,744 1,745 22,747 45,748 18,749 6,750 2,751 4,752 3,756 3,757 4,767 3,768 1,770 5,772 9,773 9,774 1,777 2,782 1,784 1,786 2,790 1,793 23,794 2,796 2,802 1,808 0.667,809 1,828 1,829 2,832 1,849 1,850 1,855 1,859 2,864 1,868 20,876 7,880 1,881 1,893 2.3,896 1,901 10,902 7.867,903 4.417,904 2.879,907 1.809,908 1.272,909 0.973,910 4.023,911 8.449,912 3.332,913 3.818,914 4.314,915 4.77,916 5.208,917 5.299,918 5.561,919 5.779,920 5.766,921 5.832,922 1,923 28,924 7.471,926 3.161,927 0.026,929 7.475,931 15.008,933 12.854,936 1.975,937 39.5,938 0.003,941 270.735,942 87.352,943 3.124,945 25.145,948 87.352,949 295.88,950 3.124,951 8.396,952 16.884,953 47.381,954 30.278,955 12.681,957 270.735,959 270.735,960 90.476,961 25.145,964 223.651,965 72.229,968 20.008,969 60.992,970 9.476,972 270.735,973 28.269,974 87.352,977 270.735,978 31.574,979 58.902,981 25.145,982 270.735,983 28.269,984 87.352,986 0.577,987 0.336,988 0.177,989 0.096,990 15,991 6,992 0.067,993 3,994 1,995 1.133,996 3.382,997 144.612,998 0.133,999 15,1000 82.439,1005 13.575,1006 5.928,1007 3.04,1009 28.269,1010 8.006,1015 2.112,1018 386.356,1019 27,1024 12.247,1026 2.195,1028 1.267,1031 42.149,1032 48.275,1034 0.232,1035 0.565,1036 0.802,1037 0.86,1038 0.868,1039 0.868,1040 4.57,1041 1,1042 5.46,1043 2.536,1044 4.111,1045 4.5,1046 1.059,1047 6.236,1048 4.099,1049 5.724,1050 0.739,1051 6.997,1052 2.275,1053 3.611,1054 4.159,1055 0.325,1056 7.076,1057 3.599,1058 7.002,1059 0.151,1060 8.636,1061 1.762,1062 5.666,1063 6.525,1064 0.636,1065 10.178,1066 5.653,1067 8.316,1068 -0.273,1069 10.338,1070 0.354,1071 6.019,1072 7.058,1073 0.268,1074 11.913,1075 6.027,1076 9.668,1077 -0.623,1078 12.081,1079 -0.618,1080 7.526,1081 8.901,1082 0.384,1083 14.531,1084 7.532,1085 11.048,1086 -0.831,1087 13.855,1088 -1.413,1089 8.292,1090 9.866,1091 0.188,1092 16.645,1093 8.33,1094 12.451,1095 -1,1096 15.652,1097 -2.028,1098 9.573,1099 11.482,1100 0.232,1101 19.104,1102 9.613,1103 3.163,1104 -1.1,1105 17.467,1106 -2.85,1107 10.541,1108 12.664,1109 0.125,1110 21.375,1111 10.613,1112 2.619,1113 10.729,1114 19.298,1115 -3,1116 11.732,1117 14.174,1118 0.14,1119 23.779,1120 11.812,1121 2.234,1122 7.164,1123 21.141,1124 4.074,1125 12.795,1126 15.465,1127 0.082,1128 26.112,1129 12.903,1130 2.092,1131 6.877,1132 22.994,1133 3.083,1134 13.952,1135 16.923,1136 0.085,1137 28.496,1138 14.073,1139 1.729,1140 5.693,1141 24.856,1142 2.616,1143 15.06,1144 18.268,1145 0.054,1146 30.853,1147 15.203,1148 1.422,1149 5.069,1150 26.724,1151 2.263,1152 16.207,1153 19.7,1154 0.052,1155 33.23,1156 16.365,1157 1.12,1158 3.061,1159 28.598,1160 2.1,1161 17.336,1162 21.073,1163 0.035,1164 35.597,1165 17.513,1166 4094,1167 5688,1168 14.909,1169 27.836,1170 32.949,1171 33.721,1172 33.47,1173 32.565,1174 32.54,1175 39.229,1176 2.96,1177 91.041,1178 32.325,1179 5.497,1180 5.701,1181 6.362,1182 5.213,1183 5.163,1184 7.074,1185 1.48,1186 17.714,1187 5.206,1188 7.808,1189 1.498,1190 1.533,1191 1.521,1192 1.48,1193 1.479,1194 1.783,1195 0.135,1196 4.138,1197 1.469,1198 4.038,1199 4.061,1200 3.986,1201 3.98,1202 7.427,1203 3.978,1204 3.881,1205 3.941,1206 3.753,1207 3.754,1208 4.727,1209 3.745,1210 3.594,1211 3.648,1212 3.484,1213 3.489,1214 4.386,1215 3.482,1216 3.36,1217 3.427,1218 3.215,1219 3.189,1220 4.233,1221 3.185,1222 3.111,1223 3.206,1224 2.924,1225 2.941,1226 3.879,1227 2.91,1228 3.111,1229 3.199,1230 2.866,1231 2.92,1232 3.664,1233 2.903,1234 2.987,1235 3.028,1236 2.847,1237 2.845,1238 3.594,1239 2.841,1240 2.753,1241 2.852,1242 2.512,1243 2.58,1244 3.474,1245 2.552,1246 0.204,1247 0.168,1248 0.304,1249 0.19,1250 0.144,1251 4.497,1252 0.185,1253 3.701,1254 0.036,1255 6.681,1256 0.488,1257 4.178,1258 0.146,1259 3.163,1260 4.074,1261 0.8,1262 10.729,1263 3.206,1264 1.892,1265 1.869,1266 2.093,1267 2.046,1268 1.48,1269 2.065,1270 1.885,1271 1.831,1272 2.002,1273 1.961,1274 1.172,1275 1.976,1276 1.681,1277 1.642,1278 1.863,1279 1.823,1280 1.091,1281 1.839,1282 1.364,1283 1.292,1284 1.635,1285 1.58,1286 0.847,1287 1.601,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.825,1293 1.429,1294 1.119,1295 1.026,1296 1.484,1297 1.36,1298 0.657,1299 1.406,1300 1.033,1301 1,1302 1.236,1303 1.215,1304 0.409,1305 1.217,1306 0.828,1307 0.753,1308 1.158,1309 1.043,1310 0.279,1311 1.092,1312 3.807,1314 5.106,1315 2.398,1316 6.6,1317 4.844,1318 8.179,1319 7.018,1320 9.802,1322 2.201,1328 8.214,1332 0.849,1333 2.409,1340 25.531,1341 54.229,1342 131.906,1343 187.065,1344 200.574,1345 202.574,1346 202.574,1347 29.971,1348 6.64,1349 20.31,1350 20.31,1351 17,1352 12.099,1353 3.17,1354 2.585,1355 30.254,1356 69,1357 66,1358 0.217,1359 157.406,1360 278.57,1361 375.831,1362 6433,1364 13.949,1365 0.697,1366 0.613,1367 13.949,1368 12.269,1369 9.737,1370 0.443,1371 0.352,1372 7.69,1373 9.56,1374 7.46,1375 6.194,1376 9.737,1377 7.74,1378 8.62,1379 0.287,1380 0.207,1381 8.62,1382 6.216,1383 7.315,1384 0.188,1385 0.121,1386 7.315,1387 4.738,1388 5.842,1389 0.119,1390 0.069,1391 5.842,1392 3.363,1393 4.695,1394 0.081,1395 0.042,1396 4.695,1397 2.459,1398 0.345,1399 59.697,1400 0.259,1401 20.285,1402 0.576,1403 104,1404 223.381,1405 107.852,1406 221.358,1407 303.29,1408 208,1409 121,1410 217.397,1411 125.49,1412 225.711,1413 328.93,1414 212,1415 9.086}
{0 CHEMBL156016,1 1.35,2 9.12,3 3.725,4 13.875,5 101.75,6 7.487,7 0.444,8 3.851,9 3.956,10 3.426,11 3.497,12 5.012,13 3.457,14 4.333,15 4.481,16 3.741,17 3.852,18 5.456,19 3.793,20 4.597,21 4.776,22 3.817,23 3.981,24 5.723,25 3.898,26 4.692,27 4.904,28 3.721,29 3.927,30 5.821,31 3.837,32 4.536,33 4.714,34 3.809,35 3.924,36 5.714,37 3.854,38 4.699,39 4.908,40 3.852,41 3.957,42 5.969,43 3.888,44 4.599,45 4.785,46 3.727,47 3.916,48 5.831,49 3.83,50 4.583,51 4.808,52 3.499,53 3.819,54 5.718,55 3.694,56 0.015,57 0.531,58 8.127,59 4.024,60 7.138,61 5.18,62 0.12,63 0.886,64 14.456,65 6.394,66 12.437,67 8.376,68 0.091,69 1.117,70 20.113,71 8.863,72 32.923,73 11.584,74 0.375,75 1.212,76 24.843,77 9.409,78 68.937,79 11.797,80 0.07,81 1.044,82 18.926,83 8.372,84 26.409,85 10.942,86 0.344,87 1.232,88 24.546,89 9.457,90 78.485,91 12.133,92 0.182,93 1.112,94 21.016,95 8.637,96 50.166,97 10.951,98 0.232,99 1.072,100 22.179,101 9.009,102 56.625,103 11.656,104 12,105 36,106 0.231,107 0.497,108 0.626,109 0.696,110 0.718,111 0.718,112 3.267,113 0.905,114 -4.43,115 -4.36,116 -4.11,121 50,127 2,136 1,137 3,138 2,144 10,145 2,158 1,160 1,176 17,179 1,180 6,187 19,192 6,200 16,205 1,206 6,214 11,219 10,227 12,231 1,232 11,239 13,244 9,251 16,256 4,264 18,269 2,277 16,281 899,282 17.077,283 17.077,284 17.077,285 17.077,286 17.077,287 14.948,288 11.109,289 10.333,290 17.122,291 13.283,292 13.283,293 13.283,294 13.283,295 13.283,296 9.973,297 13.7,298 4.891,299 13.326,300 4.11,301 2.559,302 1.806,303 1.398,304 1.273,305 1.273,306 3.95,310 1,311 1,312 1,313 483,314 3,318 253.428,325 1.414,326 23.12,328 1,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 52.5,338 228,339 4.402,340 3.741,341 6.487,342 4.094,343 3.095,344 3.85,345 1.259,346 10.106,347 3.096,348 3.997,349 3.525,350 5.929,351 3.602,352 2.615,353 3.555,354 0.577,355 8.177,356 2.571,357 3.915,358 2.629,359 5.541,360 3.572,361 2.572,362 3.331,363 0.359,364 7.507,365 2.567,366 3.784,367 2.55,368 5.305,369 3.395,370 2.386,371 3.086,373 6.794,374 2.404,375 3.382,376 2.383,377 4.96,378 2.915,379 1.918,380 2.63,382 5.614,383 1.911,384 2.924,385 2.158,386 4.203,387 2.465,388 1.461,389 2.082,391 3.581,392 1.466,393 2.795,394 1.627,395 3.678,396 2.415,397 1.414,398 1.897,400 3.118,401 1.402,402 2.76,403 1.423,404 3.585,405 2.375,406 1.376,407 1.704,409 3.005,410 1.374,411 2.5,412 1.327,413 3.274,414 2,415 1,416 1.5,418 2.136,419 1,420 2.5,421 1,422 3.247,423 2,424 1,425 1.5,427 2.136,428 1,429 2.297,430 1,431 3.247,432 1.593,433 0.544,434 0.866,436 1.338,437 0.566,438 2.034,439 0.756,440 2.89,441 1.217,442 0.173,443 0.301,445 0.241,446 0.179,447 1.288,448 0.192,449 2.618,450 0.983,456 0.996,457 -0.055,458 2.458,459 0.668,460 -0.36,461 -0.457,463 -0.856,464 -0.369,465 0.701,466 -0.367,467 2.057,468 0.312,469 -0.663,470 -0.78,472 -1.662,473 -0.645,474 12.067,475 0.483,476 0.503,477 0.02,478 34.25,479 1.37,480 19.5,481 0.78,482 14.75,483 0.59,484 16.78,485 0.671,486 25.133,487 0.571,488 26.604,489 1.064,490 7.297,491 0.292,492 4.872,493 0.195,494 0.097,496 0.282,501 0.55,502 1.087,503 0.763,504 0.96,505 0.557,506 0.897,507 0.688,508 1.034,509 0.922,510 0.982,511 0.595,512 0.97,513 0.875,514 1.222,515 0.995,516 1.176,517 0.836,518 1.111,519 1.735,520 0.812,521 1.127,522 0.814,523 1.791,524 0.887,525 0.848,526 1.198,527 0.881,528 1.133,529 0.861,530 1.032,531 1.356,532 0.905,533 0.92,534 0.842,535 1.254,536 0.828,537 1.372,538 1.093,539 1.145,540 1.1,541 1.268,542 1.093,543 1.346,544 0.879,545 1.113,546 0.947,547 1.367,548 0.998,549 4.5,550 0.041,551 2.222,552 1.375,553 1.387,554 0.903,555 0.69,556 0.368,557 0.173,558 0.091,559 6605,560 17254,561 2.062,562 43.2,564 19,572 1.688,573 1.948,574 3.191,575 -0.869,577 1,582 59.397,583 1.35,584 2.901,585 3.653,586 4.061,587 4.187,588 4.187,589 2.675,590 3.444,591 4.613,592 3.326,593 997.806,594 8.02,595 12125.8,597 1,599 1,600 240.215,601 1.323,602 4.583,603 0.167,604 0.004,605 0.062,606 0.037,607 0.042,608 0.024,609 0.018,610 0.011,611 0.007,612 0.005,613 0.377,614 0.67,615 1,616 0.924,617 119.342,618 0.007,619 -0.075,620 0.039,621 -0.011,622 -0.055,623 0.011,624 0.057,625 0.016,626 -0.052,627 -0.045,628 -0.002,629 -0.057,630 0.007,631 -0.24,632 -0.069,633 -0.212,634 0.02,635 -0.16,636 -0.181,637 0.187,638 -0.087,639 0.147,640 -0.244,641 0.057,642 0.063,643 -0.224,644 0.05,645 -0.166,646 0.062,647 -0.077,648 0.058,649 0.102,650 0.106,651 0.117,652 0.131,653 0.119,654 -0.135,655 -0.1,656 -0.173,657 -0.144,658 -0.031,659 -0.157,660 -0.158,661 0.071,662 -0.098,663 0.041,664 -0.109,665 -0.011,666 1.842,667 5.89,668 0.72,669 22.202,670 0.993,671 1.106,672 3.2,673 10.242,674 0.699,675 3.332,676 3.611,677 3.85,678 4.06,679 4.317,680 4.344,681 4.443,682 4.522,683 4.554,684 4.533,685 5.684,686 0.663,687 329.42,688 3.332,689 4.844,690 5.673,691 6.526,692 7.377,693 8.24,694 9.1,695 9.97,696 10.835,697 11.708,698 2.3,705 1,715 10,720 2,722 12,741 44,743 17,744 2,745 27,747 46,748 22,749 12,750 2,751 10,752 8,756 3,757 3,772 20,773 2,777 5,778 1,782 2,784 3,786 4,790 1,793 19,794 3,796 3,802 1,808 1,809 2,829 3,841 1,844 1,848 1,849 3,850 2,859 3,868 25,876 2,881 1,893 4.5,896 2,901 12.833,902 7.867,903 5.667,904 2.514,907 2.935,908 1.425,909 0.985,910 5.178,911 9.842,912 3.664,913 4.174,914 4.705,915 5.143,916 5.668,917 5.811,918 6.196,919 6.553,920 6.868,921 7.095,922 1,923 37,924 9.256,926 3.895,927 0.026,929 7.82,931 17.513,933 14.091,936 2.32,937 58,940 1,941 223.651,942 165.75,943 3.124,945 50.29,948 165.75,949 273.941,950 3.124,952 23.103,953 123.191,954 60.128,955 12.742,957 223.651,959 223.651,960 168.874,961 50.29,964 223.651,965 50.29,968 7.336,969 133.11,970 28.429,972 223.651,973 53.414,974 165.75,977 223.651,978 26.792,979 126.316,981 66.057,982 223.651,983 53.414,984 165.75,986 0.567,987 0.331,988 0.171,989 0.099,990 16,991 7,992 0.065,993 3,995 1,996 3.675,997 202.42,999 18,1000 90.096,1005 16.819,1006 7.696,1007 4.089,1009 53.414,1010 19.312,1015 1.885,1018 442.815,1019 38,1020 3.558,1024 25.002,1026 4.99,1028 1.024,1031 43.709,1032 48.654,1034 0.247,1035 0.531,1036 0.669,1037 0.744,1038 0.767,1039 0.767,1040 4.868,1041 1.376,1042 5.631,1043 3.118,1044 4.29,1045 4.86,1046 1.603,1047 6.392,1048 4.285,1049 6.051,1050 1,1051 7.159,1052 3.005,1053 3.761,1054 4.407,1055 0.325,1056 7.177,1057 3.762,1058 7.329,1059 1,1060 8.787,1061 2.136,1062 5.832,1063 6.935,1064 1.709,1065 10.273,1066 5.817,1067 8.64,1068 0.544,1069 10.475,1070 2.136,1071 6.133,1072 7.279,1073 0.82,1074 11.876,1075 6.131,1076 9.983,1077 0.173,1078 12.201,1079 1.338,1080 7.647,1081 9.247,1082 1.965,1083 14.478,1084 7.627,1085 11.347,1087 13.954,1088 0.241,1089 8.346,1090 9.98,1091 1.329,1092 16.438,1093 8.338,1094 12.728,1095 -0.36,1096 15.725,1098 9.622,1099 11.683,1100 2.285,1101 18.858,1102 9.601,1103 3.095,1104 -0.663,1105 17.511,1106 -0.856,1107 10.523,1108 12.635,1109 1.834,1110 20.992,1111 10.511,1112 2.615,1113 10.106,1114 19.307,1115 -1.662,1116 11.695,1117 14.189,1118 2.643,1119 23.34,1120 11.676,1121 2.572,1122 8.177,1123 21.112,1124 3.85,1125 12.7,1126 15.277,1127 2.335,1128 25.561,1129 12.687,1130 2.386,1131 7.507,1132 22.925,1133 3.555,1134 13.83,1135 16.743,1136 3.026,1137 27.883,1138 13.814,1139 1.918,1140 6.794,1141 24.745,1142 3.331,1143 14.889,1144 17.916,1145 2.832,1146 30.147,1147 14.877,1148 1.461,1149 5.614,1150 26.57,1151 3.086,1152 16.006,1153 19.33,1154 3.428,1155 32.459,1156 15.993,1157 1.414,1158 3.581,1159 28.4,1160 2.63,1161 17.093,1162 20.559,1163 3.324,1164 34.746,1165 17.084,1166 6474,1167 10552,1168 18.087,1169 30.767,1170 40.805,1171 41.696,1172 40.69,1173 39.197,1174 39.109,1175 52.605,1176 4.39,1177 107.502,1178 39.072,1179 5.402,1180 5.741,1181 6.289,1182 5.131,1183 5.095,1184 6.85,1185 2.373,1186 17.117,1187 5.096,1188 10.702,1189 1.511,1190 1.544,1191 1.507,1192 1.452,1193 1.448,1194 1.948,1195 0.163,1196 3.982,1197 1.447,1198 4.012,1199 4.039,1200 3.957,1201 3.941,1202 7.431,1203 3.94,1204 3.891,1205 3.92,1206 3.822,1207 3.842,1208 7.425,1209 3.834,1210 3.777,1211 3.814,1212 3.707,1213 3.66,1214 4.796,1215 3.667,1216 3.545,1217 3.571,1218 3.476,1219 3.41,1220 4.757,1221 3.418,1222 3.279,1223 3.325,1224 3.173,1225 3.204,1226 4.652,1227 3.191,1228 3.083,1229 3.15,1230 2.941,1231 2.88,1232 4.307,1233 2.883,1234 2.854,1235 2.925,1236 2.752,1237 2.735,1238 4.022,1239 2.715,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.725,1245 2.715,1246 0.163,1247 0.139,1248 0.24,1249 0.152,1250 0.115,1251 4.402,1252 0.143,1253 3.741,1254 0.047,1255 6.487,1256 0.374,1257 4.094,1258 0.115,1259 3.095,1260 3.85,1261 1.259,1262 10.106,1263 3.096,1264 1.969,1265 1.946,1266 2.074,1267 2.063,1268 1.237,1269 2.066,1270 1.905,1271 1.878,1272 2.026,1273 1.977,1274 1.101,1275 1.995,1276 1.747,1277 1.713,1278 1.886,1279 1.893,1280 1.016,1281 1.894,1282 1.51,1283 1.476,1284 1.702,1285 1.668,1286 0.706,1287 1.675,1288 1.3,1289 1.258,1290 1.503,1291 1.418,1292 0.536,1293 1.449,1294 1.043,1295 0.974,1296 1.289,1297 1.284,1298 0.376,1299 1.285,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.271,1305 1.107,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 4.007,1314 5.293,1316 6.783,1318 8.361,1320 9.986,1328 0.593,1333 1.637,1340 29.192,1341 59.397,1342 127.637,1343 160.731,1344 178.705,1345 184.215,1346 184.215,1347 48.034,1348 6.907,1349 37.38,1350 37.38,1351 18,1352 12.251,1353 4.17,1354 3.585,1355 41.382,1356 85,1357 81,1358 0.241,1359 182.207,1360 329.82,1361 436.346,1362 8165,1364 17.648,1365 0.706,1366 0.556,1367 17.648,1368 13.891,1369 12.169,1370 0.451,1371 0.302,1372 8.088,1373 11.944,1374 7.869,1375 6.574,1376 12.169,1377 8.144,1378 10.476,1379 0.291,1380 0.164,1381 10.476,1382 5.888,1383 8.868,1384 0.193,1385 0.089,1386 8.868,1387 4.073,1388 6.81,1389 0.119,1390 0.05,1391 6.81,1392 2.825,1393 5.731,1394 0.077,1395 0.026,1396 5.731,1397 1.944,1398 0.368,1399 74.744,1400 0.235,1401 24.045,1402 0.693,1403 126,1404 349.116,1405 132.733,1406 346.058,1407 466.39,1408 322,1409 145,1410 332.09,1411 152.316,1412 343.223,1413 495.26,1414 322,1415 4.753}
{0 CHEMBL156157,1 1.378,2 7.889,3 1.902,4 3.619,5 73.852,6 6.431,7 0.3,8 3.717,9 3.852,10 3.179,11 3.251,12 4.629,13 3.2,14 4.333,15 4.548,16 3.525,17 3.688,18 5.147,19 3.612,20 4.61,21 4.843,22 3.536,23 3.85,24 5.45,25 3.717,26 4.711,27 4.996,28 3.306,29 3.762,30 5.51,31 3.571,32 4.523,33 4.834,34 3.143,35 3.544,36 5.247,37 3.365,38 4.301,39 4.566,40 3.041,41 3.391,42 5.156,43 3.241,44 4.14,45 4.412,46 2.883,47 3.255,48 4.993,49 3.099,50 3.923,51 4.182,52 2.598,53 3.113,54 4.702,55 2.914,56 0.033,57 0.557,58 9.128,59 3.651,60 4.35,61 5.301,62 0.159,63 0.948,64 17.516,65 5.872,66 10.749,67 8.966,68 0.202,69 1.143,70 23.028,71 8.499,72 17.573,73 12.38,74 0.275,75 1.116,76 25.61,77 9.235,78 35.872,79 13.56,80 0.189,81 0.911,82 21.162,83 7.366,84 22.343,85 11.04,86 0.178,87 0.757,88 17.082,89 5.812,90 22.349,91 8.551,92 0.208,93 0.648,94 14.524,95 4.968,96 22.268,97 7.362,98 0.052,99 0.542,100 11.202,101 4.582,102 11.033,103 6.663,104 5,105 28,106 0.252,107 0.51,108 0.682,109 0.774,110 0.823,111 0.823,112 2.961,113 1.015,114 -3.21,115 -3.2,116 -3.07,121 39.5,123 1,124 1,126 1,127 5,144 4,145 2,159 1,176 8,180 3,187 10,191 1,192 4,200 7,205 1,206 4,214 3,219 4,232 3,243 1,244 2,256 2,269 2,281 348,282 12.223,283 12.223,284 12.223,285 12.223,286 12.223,287 11.405,288 15.617,289 7.211,290 12.425,291 9.872,292 9.872,293 9.872,294 9.872,295 9.872,296 8.594,297 19.579,298 3.453,299 10.162,300 3.87,301 2.463,302 1.526,303 1.02,304 0.757,305 0.757,306 3.64,310 1,311 1,312 1,313 310,314 2,317 33.936,318 97.636,321 66.87,325 1.136,326 12.745,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 38,338 142,339 4.449,340 3.789,341 6.686,342 4.183,343 3.172,344 4.005,345 1.277,346 10.754,347 3.208,348 3.669,349 2.944,350 5.632,351 3.551,352 2.622,353 2.814,354 0.8,355 7.588,356 2.437,357 3.46,358 2.676,359 5.302,360 3.21,361 2.24,362 2.569,363 0.8,364 6.506,365 2.18,366 3.112,367 2.502,368 4.911,369 2.92,370 1.965,371 2.165,373 5.602,374 1.865,375 2.938,376 1.951,377 4.732,378 2.667,379 1.669,380 2.059,382 4.925,383 1.655,384 2.733,385 1.448,386 3.631,387 2.353,388 1.356,389 1.792,391 2.97,392 1.351,393 2.267,394 1.31,395 3.446,396 1.967,397 1,398 1.086,400 2.275,401 0.965,402 2,403 1.146,404 3.414,405 1.819,406 0.779,407 1,409 1.885,410 0.805,411 1.289,412 0.399,413 2.94,414 1.159,415 0.191,416 0.199,418 0.469,419 0.184,420 0.973,421 0.275,422 2.305,423 0.706,424 -0.305,425 -0.349,427 -0.704,428 -0.304,429 0.64,430 -0.316,431 2,432 0.278,433 -0.727,434 -0.892,436 -1.797,437 -0.724,438 0.402,439 -0.6,440 2,441 0.12,442 -0.865,443 -1,445 -2.147,446 -0.853,447 0.123,448 -0.756,449 2,450 -0.1,451 -1,452 -1.134,454 -3,455 -0.9,457 -0.92,458 1.683,459 -0.179,460 -1.176,461 -1.369,463 -3.049,464 -1.151,465 -0.282,466 -1.096,467 1.268,468 -0.425,469 -1.399,470 -1.612,472 -3.585,473 -1.372,474 8.633,475 0.48,476 0.435,477 0.024,478 19.25,479 1.069,480 7.5,481 0.417,482 11.75,483 0.653,484 14.893,485 0.827,486 20.167,487 0.531,488 11.578,489 0.643,490 3.742,491 0.208,492 4.995,493 0.278,494 0.097,496 0.324,501 0.694,502 1.513,503 0.902,504 1.226,505 0.501,506 1.104,507 1.178,508 0.958,509 1.032,510 0.866,511 0.584,512 0.898,513 1.025,514 1.086,515 1.143,516 1.168,517 0.91,518 1.162,519 1.007,520 1.01,521 1.004,522 1.039,523 1.234,524 1.034,525 0.926,526 0.811,527 0.807,528 0.814,529 0.934,530 0.8,531 1.492,532 1.032,533 1.076,534 0.997,535 1.752,536 1.003,537 1.267,538 0.841,539 1.046,540 0.864,541 1.5,542 0.928,543 0.433,544 1.311,545 1.099,546 1.376,547 0.463,548 1.322,549 3.5,550 0.02,551 2,552 1.514,553 0.764,554 0.476,555 0.278,556 0.124,557 0.11,558 0.047,559 2891,560 5767,561 2.12,562 52.6,563 2,564 17,568 1,572 1.585,573 2,574 2.993,575 -0.818,577 1,579 1,582 52.379,583 1.378,584 2.785,585 3.722,586 4.228,587 4.491,588 4.491,589 2.441,590 3.948,591 4.143,592 3.083,593 471.689,594 7.02,595 4380.43,596 1,597 1,599 1,600 199.421,601 1.352,602 4.109,603 0.175,604 0.01,605 0.071,606 0.058,607 0.04,608 0.028,609 0.019,610 0.01,611 0.012,612 0.012,613 0.435,614 1,615 1,616 0.584,617 75.968,618 0.039,619 -0.258,620 0.081,621 -0.08,622 0.015,623 -0.012,624 -0.169,625 0.228,626 -0.022,627 0.135,628 -0.023,629 0.091,630 -0.049,631 -0.028,632 -0.163,633 -0.157,634 -0.003,635 -0.166,636 0.044,637 -0.109,638 -0.036,639 -0.079,640 0.001,641 -0.071,642 0.022,643 0.073,644 0.158,645 0.115,646 0.042,647 0.148,648 -0.136,649 -0.091,650 -0.072,651 -0.044,652 -0.156,653 -0.054,654 -0.013,655 0.113,656 -0.048,657 0.085,658 -0.114,659 0.021,660 0.043,661 -0.351,662 -0.185,663 -0.34,664 0.026,665 -0.297,666 1.315,667 5.298,668 0.833,669 11.222,670 0.986,671 1.13,672 1.978,673 3.914,674 0.64,675 3.045,676 3.367,677 3.638,678 3.892,679 4.094,680 4.043,681 4.143,682 4.234,683 4.127,684 4.127,685 4.695,686 0.592,687 244.37,688 3.045,689 4.575,690 5.425,691 6.301,692 7.171,693 8.052,694 8.931,695 9.815,696 10.698,697 11.585,698 5.3,701 2,715 4,720 2,722 6,727 1,741 38,743 7,744 1,745 20,747 40,748 15,749 6,750 2,751 4,752 1,756 3,757 4,767 1,768 1,770 1,772 7,773 8,774 1,777 1,782 1,786 1,790 1,793 20,794 3,796 3,802 2,808 0.667,809 1,828 1,829 2,832 1,855 2,859 2,864 1,868 18,876 6,880 1,881 2,893 2.6,896 1,901 9,902 6.983,903 3.917,904 2.408,907 1.29,908 1.198,909 0.975,910 3.188,911 7.798,912 3.219,913 3.701,914 4.186,915 4.643,916 5.068,917 5.085,918 5.334,919 5.509,920 5.401,921 5.419,922 1,923 26,924 6.726,926 2.877,927 0.026,929 7.519,931 13.417,933 11.526,936 2.019,937 36.333,938 0.004,941 235.422,942 70.869,943 6.249,945 25.145,948 70.869,949 260.567,950 6.249,951 8.396,952 13.063,953 37.905,954 30.278,955 12.62,957 235.422,959 235.422,960 77.118,961 25.145,964 235.422,965 25.145,968 19.312,969 57.806,972 235.422,973 31.394,974 70.869,977 235.422,978 24.568,979 52.55,981 25.145,982 235.422,983 31.394,984 70.869,986 0.584,987 0.341,988 0.182,989 0.102,990 15,991 6,992 0.05,993 2,994 1,995 1.133,996 3.107,997 130.296,998 0.133,999 15,1000 69.059,1005 11.883,1006 4.829,1007 2.365,1009 31.394,1010 8.068,1015 2.193,1018 337.685,1019 24,1024 12.298,1028 0.351,1031 37.483,1032 42.943,1034 0.263,1035 0.531,1036 0.709,1037 0.806,1038 0.856,1039 0.856,1040 4.472,1041 0.779,1042 5.407,1043 2.275,1044 4.043,1045 4.382,1046 1.822,1047 6.209,1048 3.999,1049 5.621,1050 0.191,1051 6.959,1052 1.885,1053 3.611,1054 4.06,1055 0.57,1056 7.076,1057 3.554,1058 6.898,1059 -0.305,1060 8.612,1061 0.469,1062 5.624,1063 6.377,1064 1.981,1065 10.188,1066 5.552,1067 8.206,1068 -0.727,1069 10.323,1070 -0.704,1071 6.019,1072 6.91,1073 0.479,1074 11.925,1075 5.969,1076 9.554,1077 -0.865,1078 12.074,1079 -1.797,1080 7.507,1081 8.736,1082 2.326,1083 14.556,1084 7.444,1085 10.928,1086 -1,1087 13.854,1088 -2.147,1089 8.299,1090 9.69,1091 0.346,1092 16.668,1093 8.276,1094 12.326,1095 -1.176,1096 15.655,1097 -3,1098 9.574,1099 11.303,1100 2.743,1101 19.134,1102 9.547,1103 3.172,1104 -1.399,1105 17.474,1106 -3.049,1107 10.557,1108 12.468,1109 0.237,1110 21.402,1111 10.57,1112 2.622,1113 10.754,1114 19.308,1115 -3.585,1116 11.746,1117 13.977,1118 3.193,1119 23.81,1120 11.767,1121 2.24,1122 7.588,1123 21.153,1124 4.005,1125 12.819,1126 15.247,1127 0.158,1128 26.142,1129 12.872,1130 1.965,1131 6.506,1132 23.008,1133 2.814,1134 13.978,1135 16.702,1136 3.662,1137 28.529,1138 14.044,1139 1.669,1140 5.602,1141 24.871,1142 2.569,1143 15.091,1144 18.027,1145 0.104,1146 30.886,1147 15.183,1148 1.356,1149 4.925,1150 26.74,1151 2.165,1152 16.24,1153 19.452,1154 4.139,1155 33.265,1156 16.348,1157 1,1158 2.97,1159 28.615,1160 2.059,1161 17.373,1162 20.806,1163 0.068,1164 35.633,1165 17.502,1166 2804,1167 4022,1168 13.523,1169 24.319,1170 30.237,1171 30.787,1172 30.988,1173 30.017,1174 29.987,1175 35.379,1176 5.755,1177 85.947,1178 29.299,1179 5.449,1180 5.789,1181 6.367,1182 5.251,1183 5.172,1184 7.005,1185 2.555,1186 17.795,1187 5.208,1188 7.062,1189 1.512,1190 1.539,1191 1.549,1192 1.501,1193 1.499,1194 1.769,1195 0.288,1196 4.297,1197 1.465,1198 4.039,1199 4.067,1200 3.98,1201 3.97,1202 7.426,1203 3.969,1204 3.824,1205 3.896,1206 3.707,1207 3.63,1208 4.716,1209 3.639,1210 3.505,1211 3.561,1212 3.389,1213 3.375,1214 4.399,1215 3.37,1216 3.206,1217 3.299,1218 3.042,1219 2.96,1220 4.013,1221 2.961,1222 3.111,1223 3.206,1224 2.866,1225 2.941,1226 3.786,1227 2.91,1228 2.988,1229 3.029,1230 2.865,1231 2.845,1232 3.626,1233 2.842,1234 2.863,1235 2.962,1236 2.611,1237 2.677,1238 3.474,1239 2.649,1240 2.572,1241 2.629,1242 2.413,1243 2.305,1244 3.355,1245 2.322,1246 0.222,1247 0.189,1248 0.334,1249 0.209,1250 0.159,1251 4.449,1252 0.2,1253 3.789,1254 0.064,1255 6.686,1256 0.538,1257 4.183,1258 0.16,1259 3.172,1260 4.005,1261 1.277,1262 10.754,1263 3.208,1264 1.892,1265 1.869,1266 2.016,1267 2.029,1268 1.344,1269 2.03,1270 1.805,1271 1.737,1272 1.997,1273 1.961,1274 1.188,1275 1.975,1276 1.583,1277 1.533,1278 1.794,1279 1.765,1280 1.07,1281 1.776,1282 1.177,1283 1.075,1284 1.538,1285 1.459,1286 0.825,1287 1.488,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.662,1293 1.429,1294 1.036,1295 1,1296 1.294,1297 1.216,1298 0.495,1299 1.233,1300 0.889,1301 0.809,1302 1.173,1303 1.13,1304 0.269,1305 1.157,1306 0.692,1307 0.6,1308 1.043,1309 0.944,1310 0.181,1311 0.986,1312 3.714,1314 5.03,1315 2.398,1316 6.544,1317 4.844,1318 8.141,1319 7.018,1320 9.781,1322 2.161,1328 6.289,1332 0.186,1333 4.788,1340 22.499,1341 52.379,1342 105.812,1343 141.447,1344 160.666,1345 170.666,1346 170.666,1347 25.545,1348 6.507,1349 23.55,1350 23.55,1351 17,1352 12.117,1353 3,1354 2.322,1355 25.807,1356 50,1357 52,1358 0.259,1359 138.351,1360 240.31,1361 329.336,1362 5004,1364 12.535,1365 0.696,1366 0.607,1367 12.535,1368 10.932,1369 8.737,1370 0.437,1371 0.338,1372 6.687,1373 8.458,1374 6.493,1375 5.346,1376 8.737,1377 6.769,1378 7.925,1379 0.283,1380 0.197,1381 7.925,1382 5.526,1383 6.764,1384 0.183,1385 0.113,1386 6.764,1387 4.194,1388 5.478,1389 0.114,1390 0.063,1391 5.478,1392 3.006,1393 4.565,1394 0.077,1395 0.038,1396 4.565,1397 2.243,1398 0.396,1399 54.31,1400 0.272,1401 18.007,1402 0.734,1403 96,1404 223.026,1405 101.934,1406 216.908,1407 294.96,1408 204,1409 113,1410 209.51,1411 120.21,1412 215.682,1413 315.26,1414 202,1415 7.027}
{0 CHEMBL156487,1 1.399,2 5.429,3 2.074,4 4.301,5 52.458,6 7.393,7 0.4,8 3.365,9 3.453,10 2.91,11 2.9,12 4.531,13 2.887,14 3.893,15 4.042,16 3.282,17 3.295,18 4.976,19 3.269,20 4.094,21 4.24,22 3.37,23 3.38,24 5.371,25 3.341,26 4.142,27 4.335,28 3.076,29 3.232,30 5.329,31 3.154,32 3.904,33 4.11,34 2.774,35 2.901,36 5.107,37 2.811,38 3.672,39 3.937,40 2.351,41 2.535,42 4.907,43 2.404,44 3.211,45 3.406,46 1.378,47 2.039,48 4.369,49 1.885,50 2.85,51 3.248,52 0.463,53 1.614,54 3.219,55 1.228,56 0.045,57 0.325,58 5.355,59 2.704,60 8.25,61 3.184,62 0.133,63 0.53,64 10.202,65 4.445,66 18.694,67 5.477,68 0.239,69 0.627,70 12.709,71 5.242,72 30.666,73 6.496,74 0.285,75 0.614,76 14.597,77 5.139,78 48.194,79 6.481,80 0.309,81 0.467,82 11.804,83 3.922,84 44.861,85 5.093,86 0.276,87 0.355,88 9.974,89 3.046,90 43.083,91 4.262,92 0.231,93 0.206,94 6.282,95 1.671,96 35.167,97 1.946,98 0.062,99 0.155,100 4.616,101 1.444,102 9.167,103 2.401,104 18,105 22,106 0.282,107 0.681,108 0.844,109 0.859,110 0.859,111 0.859,112 2.736,113 0.915,114 -3.06,115 -3.06,116 -2.95,121 42.3,122 1,123 1,124 1,126 1,144 2,145 2,146 2,159 1,176 6,180 3,185 1,187 7,192 6,195 1,197 2,200 6,206 2,211 2,214 2,218 1,219 2,224 1,232 1,235 1,237 1,281 136,282 9.163,283 9.163,284 9.163,285 9.163,286 9.163,287 8.319,288 11.999,289 5.115,290 9.345,291 7.284,292 7.284,293 7.284,294 7.284,295 7.284,296 5.834,297 12.479,298 2.313,299 7.477,300 3.301,301 1.328,302 0.52,303 0.443,304 0.443,305 0.443,306 3.368,311 1,312 1,313 156,314 2,317 25.992,318 30.169,321 47.288,325 0.857,326 19.203,329 1,330 0.83,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.85,337 31,338 76,339 4.515,340 3.781,341 6.687,342 4.203,343 3.198,344 4.163,345 1.277,346 10.749,347 3.217,348 3.969,349 3.115,350 5.986,351 3.626,352 2.667,353 3.349,354 0.86,355 8.362,356 2.547,357 3.295,358 2.553,359 5.322,360 2.954,361 1.957,362 2.506,364 6.121,365 1.94,366 3.019,367 1.96,368 4.832,369 2.749,370 1.76,371 2.145,373 5.199,374 1.739,375 2.478,376 1.891,377 4.062,378 2.179,379 1.223,380 1.417,382 3.156,383 1.153,384 1.807,385 1.261,386 3.026,387 1.462,388 0.528,389 0.632,391 0.966,392 0.483,393 1.172,394 0.611,395 2.681,396 0.832,397 -0.141,398 -0.173,400 -0.257,401 -0.134,402 0.875,403 0.014,404 2.347,405 0.59,406 -0.364,407 -0.418,409 -0.928,410 -0.345,411 0.441,412 -0.442,413 2.198,414 0.106,415 -0.868,416 -1.071,418 -2.328,419 -0.834,420 0.078,421 -0.78,422 1.646,423 -0.152,424 -1.155,425 -1.403,427 -2.865,428 -1.128,429 -0.161,430 -1.066,431 1.32,432 -0.457,433 -1.444,434 -1.703,436 -4.144,437 -1.398,438 -0.5,439 -1.225,440 1.236,441 -0.756,442 -1.64,443 -1.903,445 -4.674,446 -1.517,447 -0.511,448 -1.587,449 1.179,450 -0.781,451 -1.788,452 -2.186,454 -5.821,455 -1.807,456 -0.657,457 -1.745,458 1,459 -0.954,460 -1.934,461 -2.355,462 -0.86,463 -6.578,464 -1.916,465 -0.82,466 -2,467 0.478,468 -1,469 -2,470 -3,471 -1.277,472 -6.958,473 -2,474 6.5,475 0.464,476 0.456,477 0.033,478 17,479 1.214,480 8.5,481 0.607,482 8.5,483 0.607,484 9.522,485 0.68,486 15.7,487 0.604,488 10.442,489 0.746,490 3.298,491 0.236,492 3.332,493 0.238,494 0.256,496 0.462,501 0.792,502 1.096,503 0.793,504 1.075,505 0.726,506 0.958,507 0.844,508 0.881,509 0.727,510 0.861,511 0.604,512 0.782,513 0.852,514 1.21,515 0.944,516 1.199,517 0.936,518 1.111,519 1.265,520 1.116,521 1.19,522 1.115,523 1.443,524 1.131,525 1.113,526 1.131,527 1.15,528 1.136,529 1.279,530 1.149,531 0.883,532 0.881,533 0.919,534 0.886,535 0.558,536 0.907,537 2.406,538 0.892,539 2.077,540 0.948,541 2.474,542 1.351,543 0.039,544 0.654,545 0.533,546 0.685,547 0.075,548 0.72,549 3.5,551 2.222,552 1.639,553 0.799,554 0.587,555 0.096,559 1106,560 3382,561 1.952,562 46.2,563 5,564 5,567 1,568 1,572 1.515,573 1.75,574 2.51,575 -0.235,579 1,582 36.383,583 1.399,584 3.372,585 4.181,586 4.258,587 4.258,588 4.258,589 1.924,590 3.522,591 3.78,592 2.528,593 230.059,594 6.33,595 1759.65,597 1,600 122.211,601 1.557,602 3.689,603 0.233,605 0.101,606 0.074,607 0.053,608 0.059,609 0.016,613 0.537,614 1,615 1,616 1.06,617 51.288,618 -0.07,619 0.027,620 0.015,621 0.033,622 -0.086,623 0.042,624 -0.061,625 0.172,626 0.151,627 0.188,628 0.006,629 0.214,630 0.067,631 -0.187,632 -0.042,633 -0.186,634 0.026,635 -0.148,636 -0.189,637 -0.164,638 -0.218,639 -0.17,640 -0.203,641 -0.196,642 0.018,643 -0.208,644 -0.148,645 -0.217,646 -0.123,647 -0.221,648 0.152,649 -0.009,650 0.126,651 -0.002,652 0.338,653 0.046,654 -0.679,655 -0.02,656 -0.977,657 -0.11,658 -0.626,659 -0.528,660 0.249,661 0.153,662 0.477,663 0.193,664 0.194,665 0.356,666 1.562,667 4.639,668 0.643,669 6.776,670 1.011,671 1.12,672 1.834,673 3.363,674 0.651,675 2.773,676 3.135,677 3.434,678 3.664,679 3.829,680 3.85,681 3.784,682 3.611,683 2.833,684 1.609,685 3.407,686 0.627,687 192.23,688 2.773,689 4.317,690 5.187,691 6.084,692 6.976,693 7.878,694 8.775,695 9.678,696 10.577,697 11.48,715 2,720 4,722 6,727 1,738 1,739 1,741 26,743 7,744 1,745 15,747 27,748 11,749 6,750 4,751 2,752 1,756 2,757 3,763 1,767 1,768 1,770 1,772 7,773 4,774 1,777 1,782 1,786 1,790 1,793 12,794 3,795 1,796 3,808 0.5,809 3,828 1,829 1,832 1,859 1,864 2,868 14,875 1,876 1,878 1,880 1,893 11.5,895 1,896 1,898 1,901 8,902 5.283,903 3.111,904 1.529,907 1.388,908 1.242,909 0.902,910 2.137,911 7.127,912 2.996,913 3.597,914 4.178,915 4.681,916 5.185,917 5.383,918 5.448,919 5.409,920 4.808,921 3.446,922 0.75,923 22,924 5.185,925 0.002,926 2.234,927 0.026,929 8.048,931 9.705,932 0.001,933 8.015,934 -0.001,936 2.548,937 35.667,938 0.004,941 129.482,942 57.943,945 78.828,948 57.943,949 208.31,951 19.708,952 2.535,953 18.952,954 72.962,955 22.614,957 129.482,959 129.482,960 57.943,961 78.828,964 129.482,965 78.828,968 11.36,969 46.584,972 129.482,973 78.828,974 57.943,977 129.482,978 19.283,979 38.661,981 78.828,982 129.482,983 78.828,984 57.943,986 0.596,987 0.372,988 0.191,989 0.1,990 12,991 6,992 0.037,993 1,994 1,995 1.222,996 2.498,997 91.165,998 0.222,999 9,1000 53.303,1005 9.376,1006 3.191,1007 1.384,1009 78.828,1010 3.242,1015 2.076,1017 42.683,1018 266.254,1019 19,1024 11.639,1028 0.137,1031 26.284,1032 29.119,1034 0.298,1035 0.717,1036 0.889,1037 0.906,1038 0.906,1039 0.906,1040 4.256,1041 -0.364,1042 5.22,1043 -0.257,1044 3.807,1045 4.277,1046 1.748,1047 6.089,1048 3.772,1049 5.486,1050 -0.868,1051 6.832,1052 -0.928,1053 3.611,1054 4.29,1056 7.091,1057 3.578,1058 6.822,1059 -1.155,1060 8.539,1061 -2.328,1062 5.468,1063 6.482,1064 2.004,1065 10.193,1066 5.423,1067 8.193,1068 -1.444,1069 10.296,1070 -2.865,1071 6.043,1072 7.252,1074 11.971,1075 6.005,1076 9.595,1077 -1.64,1078 12.083,1079 -4.144,1080 7.439,1081 8.995,1082 2.352,1083 14.607,1084 7.4,1085 11.017,1086 -1.788,1087 13.891,1088 -4.674,1089 8.346,1090 10.097,1092 16.72,1093 8.318,1094 12.455,1095 -1.934,1096 15.714,1097 -5.821,1098 9.579,1099 11.664,1100 2.759,1101 19.188,1102 9.555,1103 3.198,1104 -2,1105 17.549,1106 -6.578,1107 10.627,1108 12.924,1110 21.446,1111 10.616,1112 2.667,1113 10.749,1114 19.393,1115 -6.958,1116 11.802,1117 14.414,1118 3.203,1119 23.851,1120 11.8,1121 1.957,1122 8.362,1123 21.245,1124 4.163,1125 12.91,1126 15.752,1128 26.173,1129 12.92,1130 1.76,1131 6.121,1132 23.104,1133 3.349,1134 14.068,1135 17.208,1136 3.667,1137 28.556,1138 14.088,1139 1.223,1140 5.199,1141 24.969,1142 2.506,1143 15.202,1144 18.585,1146 30.906,1147 15.233,1148 0.528,1149 3.156,1150 26.838,1151 2.145,1152 16.356,1153 20.025,1154 4.142,1155 33.281,1156 16.397,1157 -0.141,1158 0.966,1159 28.711,1160 1.417,1161 17.502,1162 21.424,1164 35.643,1165 17.554,1166 1205,1167 2151,1168 9.364,1169 16.932,1170 22.966,1171 24.426,1172 24.629,1173 22.667,1174 22.668,1175 28.423,1176 4.275,1177 69.107,1178 22.157,1179 5.335,1180 5.781,1181 6.209,1182 5.203,1183 5.198,1184 7.163,1185 2.555,1186 17.707,1187 5.217,1188 8.049,1189 1.531,1190 1.628,1191 1.642,1192 1.511,1193 1.511,1194 1.895,1195 0.285,1196 4.607,1197 1.477,1198 4.035,1199 4.049,1200 3.99,1201 3.963,1202 7.426,1203 3.967,1204 3.566,1205 3.596,1206 3.476,1207 3.414,1208 6.47,1209 3.42,1210 3.212,1211 3.286,1212 3.02,1213 2.952,1214 4.751,1215 2.954,1216 3.02,1217 3.053,1218 2.883,1219 2.831,1220 4.357,1221 2.837,1222 2.903,1223 2.991,1224 2.675,1225 2.708,1226 3.925,1227 2.683,1228 2.625,1229 2.644,1230 2.496,1231 2.3,1232 3.545,1233 2.338,1234 2.407,1235 2.491,1236 2.129,1237 2.146,1238 3.303,1239 2.135,1240 2.028,1241 2.097,1242 1.796,1243 1.523,1244 2.947,1245 1.581,1246 0.301,1247 0.252,1248 0.446,1249 0.28,1250 0.213,1251 4.515,1252 0.278,1253 3.781,1254 0.085,1255 6.687,1256 0.717,1257 4.203,1258 0.214,1259 3.198,1260 4.163,1261 1.277,1262 10.749,1263 3.217,1264 1.877,1265 1.868,1266 1.957,1267 1.971,1268 1.205,1269 1.963,1270 1.644,1271 1.599,1272 1.865,1273 1.808,1274 1.06,1275 1.829,1276 1.216,1277 1.16,1278 1.572,1279 1.521,1280 0.586,1281 1.536,1282 0.956,1283 0.927,1284 1.326,1285 1.223,1286 0.466,1287 1.242,1288 0.935,1289 0.84,1290 1.123,1291 1.189,1292 0.156,1293 1.182,1294 0.654,1295 0.583,1296 0.95,1297 0.913,1298 0.044,1299 0.924,1300 0.181,1301 0.118,1302 0.637,1303 0.68,1305 0.672,1308 0.363,1309 0.251,1311 0.286,1312 3.434,1314 4.779,1315 2.398,1316 6.326,1317 4.844,1318 7.962,1319 7.002,1320 9.646,1322 3.371,1327 9.511,1328 0.714,1330 4.952,1332 0.025,1340 16.305,1341 36.383,1342 87.682,1343 108.702,1344 110.702,1345 110.702,1346 110.702,1347 25.088,1348 5.74,1349 46.53,1350 46.53,1351 11,1352 12,1353 3,1354 2.322,1355 21.184,1356 30,1357 26,1358 0.407,1359 101.779,1360 179.05,1361 240.1,1362 1586,1364 10.293,1365 0.735,1366 0.586,1367 10.293,1368 8.203,1369 6.63,1370 0.442,1371 0.305,1372 4.502,1373 6.347,1374 4.321,1375 3.604,1376 6.63,1377 4.573,1378 6.113,1379 0.278,1380 0.166,1381 6.113,1382 3.651,1383 5.432,1384 0.181,1385 0.088,1386 5.432,1387 2.644,1388 4.217,1389 0.111,1390 0.049,1391 4.217,1392 1.861,1393 3.139,1394 0.07,1395 0.026,1396 3.139,1397 1.179,1398 0.582,1399 42.051,1400 0.327,1401 13.639,1402 1.282,1403 74,1404 241.621,1405 81.086,1406 226.59,1407 299.72,1408 210,1409 89,1410 210.212,1411 96.419,1412 213.82,1413 311.97,1414 199,1415 6.42}
{0 CHEMBL156630,1 1.609,2 11.519,3 5.042,4 25.422,5 109.481,6 9.071,7 0.533,8 3.956,9 4.064,10 3.702,11 3.554,12 5.048,13 3.525,14 4.491,15 4.655,16 4.128,17 3.963,18 5.582,19 3.912,20 4.671,21 4.841,22 4.364,23 4.096,24 5.692,25 4.021,26 4.737,27 4.914,28 4.392,29 4.106,30 5.781,31 4.007,32 4.762,33 4.968,34 4.364,35 4.035,36 5.834,37 3.91,38 4.689,39 4.921,40 3.965,41 3.827,42 5.72,43 3.697,44 4.403,45 4.606,46 3.822,47 3.633,48 5.5,49 3.539,50 4.258,51 4.437,52 3.766,53 3.613,54 5.363,55 3.502,56 0.02,57 0.659,58 7.106,59 4.188,60 5.422,61 5.201,62 0.329,63 1.092,64 16.95,65 7.188,66 28.516,67 9.181,68 0.227,69 1.261,70 24.913,71 9.515,72 21.909,73 11.542,74 0.273,75 1.322,76 30.746,77 9.994,78 27.684,79 11.793,80 0.353,81 1.293,82 43.438,83 11.161,84 39.3,85 13.245,86 0.379,87 1.116,88 51.848,89 11.055,90 45.75,91 12.765,92 0.409,93 0.854,94 28.308,95 7.713,96 36.156,97 8.802,98 0.178,99 0.781,100 26.573,101 6.874,102 25.344,103 7.803,104 18,105 43,106 0.272,107 0.629,108 0.775,109 0.846,110 0.856,111 0.856,112 3.34,113 0.965,114 -4.3,115 -4.24,116 -4,119 1,121 44.7,123 2,126 2,127 1,144 7,145 3,146 2,154 2,159 1,161 1,176 10,179 1,180 5,183 2,185 1,187 10,191 1,192 8,197 2,200 8,206 6,211 3,214 4,218 1,219 9,224 4,227 3,232 8,237 1,239 2,243 2,244 3,247 1,249 1,251 5,256 1,261 1,264 9,268 1,269 1,272 1,277 10,281 1096,282 18.422,283 18.422,284 18.422,285 18.422,286 18.422,287 15.856,288 20.849,289 10.715,290 18.862,291 14.717,292 14.717,293 14.717,294 14.717,295 14.717,296 11.024,297 25.852,298 4.985,299 15.454,300 3.945,301 1.837,302 0.977,303 0.559,304 0.5,305 0.5,306 4.035,311 1,312 1,313 681,314 3.391,317 105.22,318 151.453,320 85.513,321 91.151,324 128.081,325 1.759,326 20.276,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 57.25,338 311,339 4.855,340 3.706,341 7.221,342 4.409,343 3.446,344 4.831,345 2.187,346 12.74,347 3.314,348 4.187,349 3.578,350 6.407,351 3.768,352 2.843,353 3.709,354 0.986,355 9.683,356 2.615,357 3.91,358 3.155,359 5.825,360 3.537,361 2.553,362 3.447,363 0.599,364 7.809,365 2.516,366 3.774,367 2.728,368 5.567,369 3.35,370 2.398,371 3.143,372 0.232,373 7.044,374 2.253,375 3.568,376 2.662,377 5.356,378 3.139,379 2.201,380 2.864,382 6.86,383 2.036,384 3.384,385 2.308,386 4.974,387 2.951,388 1.976,389 2.634,391 5.68,392 1.912,393 2.955,394 1.973,395 4.773,396 2.492,397 1.517,398 2.093,400 4.574,401 1.482,402 2.905,403 1.676,404 4.259,405 2.433,406 1.461,407 2.045,409 3.544,410 1.41,411 2.679,412 1.646,413 3.628,414 2.271,415 1.347,416 1.73,418 3.12,419 1.182,420 2.5,421 1.102,422 3.548,423 2,424 1,425 1.5,427 2.136,428 1,429 1.922,430 1.063,431 3.247,432 1.74,433 0.774,434 0.856,436 1.856,437 0.736,438 1.808,439 1,440 3.225,441 1.545,442 0.623,443 0.706,445 1.455,446 0.559,447 1.601,448 0.886,449 2.905,450 1.281,451 0.358,452 0.401,454 0.655,455 0.319,456 1.319,457 0.68,458 2.726,459 1.015,460 0.148,461 0.169,463 0.294,464 0.107,465 0.991,466 0.376,467 2.706,468 0.58,469 -0.329,470 -0.406,472 -0.858,473 -0.262,474 13.7,475 0.507,476 0.661,477 0.024,478 35,479 1.296,480 17.5,481 0.648,482 17.5,483 0.648,484 24.415,485 0.904,486 27.7,487 0.589,488 23.805,489 0.882,490 6.865,491 0.254,492 6.231,493 0.231,494 0.195,496 0.358,501 0.762,502 1.266,503 0.494,504 0.875,505 0.589,506 0.865,507 0.674,508 0.888,509 0.553,510 0.686,511 0.492,512 0.749,513 0.918,514 1.115,515 0.806,516 0.961,517 0.792,518 0.945,519 1.279,520 1.172,521 1.171,522 1.078,523 1.125,524 1.075,525 1.055,526 1.117,527 1.475,528 1.274,529 1.065,530 1.141,531 1.531,532 0.968,533 1.714,534 1.242,535 1.478,536 1.023,537 1.645,538 0.738,539 1.182,540 0.873,541 1.657,542 0.849,543 1.397,544 1.117,545 1.656,546 1.253,547 1.759,548 1.135,549 4.5,550 0.135,551 3.111,552 2.576,553 2.011,554 0.889,555 0.513,556 0.425,557 0.217,558 0.171,559 9191,560 24141,561 2.097,562 42.6,563 2,564 15,567 1,568 2,572 1.699,573 1.952,574 3.446,575 -0.346,582 75.634,583 1.609,584 3.718,585 4.578,586 4.996,587 5.054,588 5.054,589 2.922,590 4.459,591 4.723,592 3.617,593 1269.73,594 8.188,595 16205,597 1,600 261.066,601 1.447,602 4.681,603 0.15,604 0.007,605 0.072,606 0.057,607 0.049,608 0.025,609 0.018,610 0.016,611 0.009,612 0.008,613 0.413,614 0.33,615 1,616 0.76,617 134.076,618 -0.031,619 -0.155,620 0.006,621 -0.04,622 -0.036,623 0.002,624 0.229,625 0.207,626 0.047,627 0.169,628 0.174,629 0.145,630 0.034,631 -0.093,632 0.07,633 -0.018,634 -0.028,635 -0.008,636 -0.158,637 -0.14,638 -0.01,639 -0.079,640 -0.107,641 -0.139,642 0.059,643 -0.143,644 -0.019,645 -0.186,646 0.081,647 -0.148,648 -0.118,649 -0.078,650 -0.133,651 -0.102,652 -0.053,653 0.008,654 -0.031,655 0.186,656 -0.034,657 0.152,658 -0.072,659 0.118,660 -0.205,661 -0.144,662 -0.162,663 -0.151,664 -0.169,665 -0.155,666 2.137,667 5.233,668 0.667,669 26.332,670 1.003,671 1.117,672 3.069,673 9.42,674 0.705,675 3.434,676 3.784,677 4.127,678 4.454,679 4.682,680 4.796,681 4.963,682 5.05,683 5.063,684 5.063,685 6.584,686 0.665,687 426.34,688 3.434,689 4.99,690 5.872,691 6.779,692 7.685,693 8.604,694 9.523,695 10.45,696 11.378,697 12.311,698 6.4,705 1,706 1,707 1,714 2,715 7,720 5,721 1,722 16,725 1,737 1,740 1,741 47,743 18,744 2,745 30,746 1,747 50,748 21,749 14,750 5,751 7,752 1,756 4,757 7,767 2,770 2,772 16,773 5,777 2,782 1,785 1,786 2,793 20,794 4,795 1,796 6,797 1,802 3,808 0.5,809 2,824 1,828 2,829 2,831 1,832 1,835 1,859 2,863 1,864 2,868 27,876 3,877 1,878 1,892 1,893 4.3,896 1,898 1,901 13.833,902 9.21,903 5.972,904 2.787,907 3.117,908 1.405,909 1.015,910 5.068,911 10.812,912 3.714,913 4.366,914 5.01,915 5.661,916 6.217,917 6.584,918 7.021,919 7.389,920 7.567,921 7.696,922 0.875,923 45,924 9.975,926 4.234,927 0.026,929 7.657,931 19.217,933 15.9,936 2.157,937 58.25,940 1,941 223.651,942 121.964,943 82.649,945 36.145,948 167.918,949 259.796,950 36.695,951 16.793,952 25.186,953 66.334,954 27.902,955 46.927,956 11.663,957 223.651,958 45.954,959 223.651,960 158.659,961 36.145,963 45.954,964 223.651,965 36.145,968 43.87,969 114.789,971 45.954,972 223.651,973 72.84,974 167.918,977 223.651,978 38.838,979 85.026,980 63.965,981 52.93,982 223.651,983 72.84,984 167.918,986 0.583,987 0.358,988 0.203,989 0.111,990 22,991 10,992 0.08,993 4,994 2,995 1.222,996 3.879,997 236.743,998 0.222,999 18,1000 124.382,1005 18.268,1006 7.49,1007 3.303,1008 2.198,1009 70.941,1010 13.567,1015 4.789,1016 2.171,1017 18.011,1018 464.409,1019 40,1024 12.233,1027 4.424,1028 0.654,1031 47.142,1032 52.492,1034 0.29,1035 0.669,1036 0.824,1037 0.899,1038 0.91,1039 0.91,1040 4.963,1041 1.461,1042 5.872,1043 4.574,1044 4.466,1045 5.053,1046 2.487,1047 6.749,1048 4.368,1049 6.196,1050 1.347,1051 7.47,1052 3.544,1053 4.111,1054 4.987,1055 1.784,1056 7.796,1057 3.939,1058 7.533,1059 1,1060 9.174,1061 3.12,1062 6.111,1063 7.344,1064 3.555,1065 10.974,1066 5.928,1067 8.911,1068 0.774,1069 10.941,1070 2.136,1071 6.621,1072 8.153,1073 3.59,1074 12.912,1075 6.363,1076 10.326,1077 0.623,1078 12.75,1079 1.856,1080 8.093,1081 9.997,1082 4.922,1083 15.638,1084 7.824,1085 11.768,1086 0.358,1087 14.591,1088 1.455,1089 8.999,1090 11.22,1091 5.291,1092 17.941,1093 8.667,1094 13.232,1095 0.148,1096 16.454,1097 0.655,1098 10.288,1099 12.88,1100 6.393,1101 20.533,1102 9.937,1103 3.446,1104 -0.329,1105 18.337,1106 0.294,1107 11.373,1108 14.298,1109 6.934,1110 22.982,1111 10.972,1112 2.843,1113 12.74,1114 20.234,1115 -0.858,1116 12.605,1117 15.893,1118 7.906,1119 25.535,1120 12.177,1121 2.553,1122 9.683,1123 22.144,1124 4.831,1125 13.77,1126 17.398,1127 8.544,1128 28.039,1129 13.299,1130 2.398,1131 7.809,1132 24.065,1133 3.709,1134 14.99,1135 18.975,1136 9.441,1137 30.582,1138 14.488,1139 2.201,1140 7.044,1141 25.994,1142 3.447,1143 16.19,1144 20.518,1145 10.136,1146 33.11,1147 15.65,1148 1.976,1149 6.86,1150 27.93,1151 3.143,1152 17.412,1153 22.09,1154 10.987,1155 35.651,1156 16.837,1157 1.517,1158 5.68,1159 29.873,1160 2.864,1161 18.629,1162 23.65,1163 11.717,1164 38.188,1165 18.017,1166 8719,1167 14288,1168 19.997,1169 33.131,1170 45.43,1171 46.932,1172 47.333,1173 45.357,1174 45.291,1175 60.258,1176 8.008,1177 134.898,1178 42.877,1179 5.751,1180 5.706,1181 7.023,1182 5.497,1183 5.446,1184 7.831,1185 3.89,1186 20.428,1187 5.314,1188 13.077,1189 1.514,1190 1.564,1191 1.578,1192 1.512,1193 1.51,1194 2.009,1195 0.267,1196 4.497,1197 1.429,1198 4.188,1199 4.215,1200 6.881,1201 4.115,1202 7.435,1203 4.118,1204 3.914,1205 3.949,1206 4.12,1207 3.85,1208 4.961,1209 3.842,1210 3.698,1211 3.73,1212 3.84,1213 3.593,1214 4.754,1215 3.589,1216 3.494,1217 3.542,1218 3.599,1219 3.225,1220 4.642,1221 3.263,1222 3.323,1223 3.403,1224 3.422,1225 3.13,1226 4.378,1227 3.126,1228 3.235,1229 3.333,1230 3.157,1231 3.031,1232 4.055,1233 3.022,1234 3.021,1235 3.053,1236 3.04,1237 2.855,1238 3.932,1239 2.825,1240 2.905,1241 2.957,1242 2.895,1243 2.798,1244 3.823,1245 2.796,1246 0.162,1247 0.124,1248 0.241,1249 0.147,1250 0.115,1251 4.855,1252 0.161,1253 3.706,1254 0.073,1255 7.221,1256 0.425,1257 4.409,1258 0.11,1259 3.446,1260 4.831,1261 2.187,1262 12.74,1263 3.314,1264 1.936,1265 1.923,1266 2.04,1267 2.029,1268 1.232,1269 2.026,1270 1.908,1271 1.878,1272 1.981,1273 1.996,1274 1.15,1275 2.007,1276 1.639,1277 1.592,1278 1.779,1279 1.813,1280 1.032,1281 1.803,1282 1.537,1283 1.477,1284 1.757,1285 1.719,1286 0.928,1287 1.74,1288 1.362,1289 1.312,1290 1.584,1291 1.656,1292 0.684,1293 1.625,1294 1.229,1295 1.143,1296 1.556,1297 1.477,1298 0.616,1299 1.513,1300 1.038,1301 0.962,1302 1.338,1303 1.245,1304 0.494,1305 1.277,1306 0.929,1307 0.894,1308 1.181,1309 1.192,1310 0.218,1311 1.178,1312 4.111,1314 5.451,1315 3.045,1316 6.991,1317 5.533,1318 8.629,1319 7.751,1320 10.327,1321 3.657,1322 3.889,1328 2.318,1329 2.79,1330 5.561,1340 31.26,1341 75.634,1342 174.743,1343 215.15,1344 234.801,1345 237.556,1346 237.556,1347 38.684,1348 7.695,1349 55.62,1350 55.62,1351 22,1352 12.813,1353 4.248,1354 3.459,1355 40.397,1356 106,1357 114,1358 0.187,1359 196.579,1360 335.82,1361 471.412,1362 23233,1363 2.1,1364 18.966,1365 0.702,1366 0.624,1367 19.966,1368 16.838,1369 13.097,1370 0.437,1371 0.322,1372 8.786,1373 12.156,1374 8.469,1375 7.019,1376 13.674,1377 9.645,1378 11.706,1379 0.272,1380 0.171,1381 12.373,1382 7.35,1383 10.424,1384 0.171,1385 0.095,1386 11.28,1387 5.794,1388 9.021,1389 0.106,1390 0.052,1391 9.818,1392 4.386,1393 7.323,1394 0.068,1395 0.028,1396 8.147,1397 3.016,1398 0.295,1399 89.979,1400 0.224,1401 26.001,1402 0.51,1403 146,1404 411.749,1405 224.147,1406 435.306,1407 593.6,1408 408,1409 177,1410 418.262,1411 230.618,1412 437.183,1413 647.8,1414 411,1415 5.378}
{0 CHEMBL156659,1 1.496,2 12.615,3 3.689,4 13.612,5 101.322,6 6.817,7 0.517,8 4.052,9 4.183,10 3.552,11 3.531,12 5.041,13 3.51,14 4.627,15 4.824,16 3.891,17 3.932,18 5.569,19 3.879,20 4.884,21 5.132,22 3.83,23 4.031,24 5.709,25 3.922,26 4.898,27 5.168,28 3.712,29 3.975,30 5.704,31 3.842,32 4.785,33 5.04,34 3.615,35 3.838,36 5.681,37 3.723,38 4.689,39 4.945,40 3.46,41 3.777,42 5.504,43 3.637,44 4.56,45 4.823,46 3.361,47 3.662,48 5.344,49 3.522,50 4.476,51 4.75,52 3.39,53 3.566,54 5.341,55 3.448,56 0.044,57 0.782,58 12.249,59 4.618,60 7.655,61 6.613,62 0.29,63 1.265,64 23.031,65 7.471,66 23.337,67 11.264,68 0.453,69 1.439,70 30.956,71 9.864,72 29.282,73 14.828,74 0.284,75 1.401,76 31.4,77 10.023,78 31.386,79 15.343,80 0.439,81 1.194,82 28.586,83 8.861,84 43.185,85 12.992,86 0.393,87 1.109,88 25.716,89 8.358,90 32.229,91 12.265,92 0.213,93 0.999,94 22.26,95 7.328,96 22.976,97 11.059,98 0.332,99 0.907,100 20.707,101 6.541,102 29.787,103 10.053,104 2,105 39,106 0.251,107 0.56,108 0.72,109 0.839,110 0.852,111 0.859,112 3.303,113 0.977,114 -3.08,115 -3.08,116 -2.96,121 38.5,123 3,127 6,144 6,148 1,154 3,164 1,176 6,179 1,180 6,183 2,187 3,191 1,192 6,195 2,197 1,200 1,206 3,211 3,219 2,222 1,223 1,224 3,227 2,231 1,232 2,235 1,237 2,239 3,244 1,249 1,251 1,255 1,256 2,259 1,261 3,264 1,268 1,269 3,274 2,277 3,281 990,282 18.068,283 18.068,284 18.068,285 18.068,286 18.068,287 16.265,288 21.445,289 11.019,290 18.452,291 14.382,292 14.382,293 14.382,294 14.382,295 14.382,296 11.659,297 27.185,298 5.299,299 15.027,300 4.205,301 2.362,302 1.404,303 0.692,304 0.615,305 0.577,306 4.006,310 1,311 1,312 1,313 727,314 2.915,317 136.391,318 168.175,321 115.859,325 1.982,326 18.229,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 56,338 328,339 4.614,340 3.266,341 6.717,342 4.106,343 3.172,344 4.565,345 0.916,346 10.905,347 2.969,348 4.128,349 3.06,350 5.719,351 3.772,352 2.788,353 3.736,354 0.657,355 8.109,356 2.748,357 3.581,358 2.753,359 5.468,360 3.406,361 2.46,362 2.994,363 0.172,364 6.947,365 2.32,366 3.532,367 2.328,368 5.327,369 3.131,370 2.188,371 2.607,373 6.687,374 2.055,375 3.169,376 2.239,377 4.776,378 2.913,379 1.936,380 2.457,382 5.349,383 1.893,384 3.128,385 1.936,386 4.762,387 2.677,388 1.746,389 2.238,391 4.986,392 1.622,393 2.83,394 1.62,395 3.785,396 2.431,397 1.47,398 1.984,400 3.218,401 1.41,402 2.587,403 1.462,404 3.609,405 2.334,406 1.357,407 1.595,409 3.002,410 1.323,411 2.429,412 1.398,413 3.586,414 2.324,415 1.353,416 1.426,418 2.932,419 1.307,420 2.221,421 1.077,422 3.389,423 1.984,424 1,425 1.118,427 2.136,428 0.983,429 2.118,430 1.056,431 3.267,432 1.829,433 0.871,434 1,436 2.087,437 0.831,438 2,439 0.787,440 3.247,441 1.694,442 0.711,443 0.99,445 1.708,446 0.699,447 1.501,448 0.393,449 2.896,450 1.232,451 0.274,452 0.33,454 0.652,455 0.262,456 1.025,457 0.139,458 2.68,459 0.862,460 -0.099,461 -0.109,463 -0.26,464 -0.095,465 0.912,466 -0.012,467 2.372,468 0.606,469 -0.314,470 -0.368,472 -0.751,473 -0.286,474 12.267,475 0.472,476 0.465,477 0.018,478 30.25,479 1.163,480 12.5,481 0.481,482 17.75,483 0.683,484 22.035,485 0.847,486 29.133,487 0.56,488 19.835,489 0.763,490 5.861,491 0.225,492 6.932,493 0.267,494 0.027,496 0.269,501 0.982,502 1.535,503 0.876,504 1.216,505 0.905,506 1.057,507 0.921,508 1.182,509 0.986,510 1.071,511 0.568,512 1.027,513 1.068,514 0.977,515 1.034,516 0.971,517 0.787,518 0.993,519 0.961,520 1.101,521 0.983,522 1.069,523 0.927,524 1.031,525 1.447,526 0.906,527 1.074,528 0.943,529 1.445,530 0.966,531 1.266,532 0.921,533 1.131,534 0.992,535 1.228,536 1.047,537 1,538 1.103,539 1.03,540 1.083,541 0.958,542 1.067,543 0.689,544 0.907,545 0.817,546 0.894,547 0.486,548 0.867,549 4,550 0.072,551 2,552 2.021,553 0.778,554 0.442,555 0.281,556 0.184,557 0.153,558 0.099,559 9965,560 21262,561 2.172,562 50,563 2,564 18,567 2,569 4,572 1.682,573 2.108,574 3.588,575 0.251,577 1,582 77.773,583 1.496,584 3.338,585 4.296,586 5.008,587 5.085,588 5.124,589 3.017,590 4.316,591 4.676,592 3.788,593 1231.23,594 8.051,595 16543.8,597 1,599 1,600 296.423,601 1.058,602 4.663,603 0.138,604 0.004,605 0.051,606 0.058,607 0.026,608 0.016,609 0.012,610 0.009,611 0.007,612 0.005,613 0.326,614 0.33,615 1,616 0.362,617 131.205,618 -0.049,619 -0.266,620 0.068,621 -0.081,622 -0.029,623 -0.006,624 0.078,625 -0.003,626 -0.01,627 -0.055,628 0.14,629 -0.043,630 0.002,631 0.037,632 -0.043,633 0.003,634 0.021,635 -0.024,636 -0.041,637 -0.141,638 -0.006,639 -0.102,640 0.016,641 -0.054,642 -0.087,643 0.026,644 -0.05,645 0.01,646 -0.063,647 -0.015,648 -0.087,649 0.027,650 -0.131,651 -0.019,652 -0.179,653 -0.078,654 -0.074,655 -0.145,656 -0.057,657 -0.099,658 -0.072,659 -0.08,660 0.258,661 0.044,662 0.168,663 0.064,664 0.305,665 0.106,666 1.602,667 4.011,668 0.769,669 25.154,670 0.996,671 1.134,672 1.851,673 3.424,674 0.641,675 3.401,676 3.689,677 3.951,678 4.22,679 4.331,680 4.277,681 4.357,682 4.419,683 4.331,684 4.407,685 7.461,686 0.602,687 354.5,688 3.401,689 4.92,690 5.759,691 6.621,692 7.476,693 8.345,694 9.206,695 10.077,696 10.943,697 11.816,698 7.7,700 1,701 1,706 1,708 1,714 2,715 6,716 1,718 1,720 3,721 1,722 15,738 1,741 52,743 15,744 1,745 29,747 55,748 20,749 11,750 2,751 4,756 4,757 5,767 3,770 3,772 11,773 9,789 1,790 1,792 1,793 26,794 5,795 2,796 6,799 1,802 4,808 0.75,809 2,828 2,829 2,832 1,853 1,855 1,859 3,868 26,875 1,876 9,877 1,881 1,893 3.8,895 1,898 1,901 12.333,902 8.967,903 5.75,904 3.324,907 2.883,908 1.389,909 0.979,910 5.581,911 10.302,912 3.624,913 4.197,914 4.779,915 5.378,916 5.732,917 5.915,918 6.224,919 6.499,920 6.197,921 6.364,922 1,923 35,924 9.647,926 4.069,927 0.026,929 7.532,931 19.031,933 15.866,936 2.032,937 52.833,939 1,940 1,941 282.506,942 92.281,943 39.82,945 52.191,948 92.281,949 334.697,950 39.82,952 20.238,953 74.868,954 59.469,955 16.675,956 13.042,957 282.506,959 282.506,960 132.101,961 52.191,964 235.422,965 99.275,968 45.416,969 69.899,970 16.786,972 282.506,973 92.01,974 92.281,977 282.506,978 35.424,979 61.881,980 18.011,981 68.976,982 282.506,983 92.01,984 92.281,986 0.569,987 0.33,988 0.188,989 0.097,990 19,991 7,992 0.127,993 7,994 1,995 1.1,996 4.087,997 207.944,998 0.1,999 20,1000 118.211,1005 17.588,1006 8.251,1007 4.309,1008 1.77,1009 90.111,1010 11.903,1011 4.176,1013 5.945,1015 2.063,1016 1.826,1017 60.694,1018 466.798,1019 36.5,1031 51.781,1032 58.979,1034 0.262,1035 0.586,1036 0.754,1037 0.879,1038 0.892,1039 0.899,1040 4.842,1041 1.357,1042 5.707,1043 3.218,1044 4.369,1045 4.883,1046 1.214,1047 6.472,1048 4.283,1049 6.01,1050 1.353,1051 7.226,1052 3.002,1053 3.761,1054 4.62,1055 0.325,1056 7.261,1057 3.596,1058 7.296,1059 1,1060 8.848,1061 2.932,1062 5.905,1063 7.079,1064 0.846,1065 10.387,1066 5.725,1067 8.625,1068 0.871,1069 10.535,1070 2.136,1071 6.196,1072 7.779,1073 0.393,1074 12.11,1075 5.93,1076 9.994,1077 0.711,1078 12.267,1079 2.087,1080 7.743,1081 9.654,1082 0.623,1083 14.723,1084 7.459,1085 11.394,1086 0.274,1087 14.031,1088 1.708,1089 8.474,1090 10.802,1091 0.384,1092 16.841,1093 8.106,1094 12.818,1095 -0.099,1096 15.82,1097 0.652,1098 9.769,1099 12.449,1100 0.482,1101 19.293,1102 9.371,1103 3.172,1104 -0.314,1105 17.628,1106 -0.26,1107 10.716,1108 13.801,1109 0.351,1110 21.573,1111 10.237,1112 2.788,1113 10.905,1114 19.453,1115 -0.751,1116 11.908,1117 15.359,1118 0.387,1119 23.977,1120 11.387,1121 2.46,1122 8.109,1123 21.29,1124 4.565,1125 12.957,1126 16.801,1127 0.312,1128 26.321,1129 12.359,1130 2.188,1131 6.947,1132 23.139,1133 3.736,1134 14.11,1135 18.328,1136 0.319,1137 28.712,1138 13.46,1139 1.936,1140 6.687,1141 24.996,1142 2.994,1143 15.207,1144 19.809,1145 0.273,1146 31.082,1147 14.483,1148 1.746,1149 5.349,1150 26.862,1151 2.607,1152 16.349,1153 21.326,1154 0.267,1155 33.47,1156 15.564,1157 1.47,1158 4.986,1159 28.733,1160 2.457,1161 17.47,1162 22.825,1163 0.236,1164 35.85,1165 16.613,1166 9212,1167 13646,1168 20.167,1169 33.307,1170 42.952,1171 42.607,1172 43.162,1173 42.742,1174 42.652,1175 54.082,1176 3.492,1177 117.433,1178 40.842,1179 5.614,1180 5.266,1181 6.519,1182 5.165,1183 5.172,1184 7.565,1185 1.605,1186 17.797,1187 4.969,1188 6.588,1189 1.481,1190 1.469,1191 1.488,1192 1.474,1193 1.471,1194 1.865,1195 0.12,1196 4.049,1197 1.408,1198 4.115,1199 4.157,1200 4.083,1201 3.984,1202 6.477,1203 4.001,1204 3.966,1205 3.996,1206 3.904,1207 3.808,1208 5.04,1209 3.826,1210 3.794,1211 3.849,1212 3.663,1213 3.644,1214 4.931,1215 3.639,1216 3.57,1217 3.639,1218 3.445,1219 3.394,1220 4.306,1221 3.398,1222 3.351,1223 3.417,1224 3.24,1225 3.14,1226 4.266,1227 3.156,1228 3.179,1229 3.261,1230 3.013,1231 2.984,1232 4.156,1233 2.982,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.819,1239 2.91,1240 2.985,1241 3.071,1242 2.834,1243 2.796,1244 3.66,1245 2.793,1246 0.159,1247 0.113,1248 0.232,1249 0.142,1250 0.109,1251 4.614,1252 0.157,1253 3.266,1254 0.032,1255 6.717,1256 0.376,1257 4.106,1258 0.102,1259 3.172,1260 4.565,1261 0.916,1262 10.905,1263 2.969,1264 1.923,1265 1.893,1266 2.055,1267 2.035,1268 1.408,1269 2.036,1270 1.832,1271 1.768,1272 2.024,1273 2.021,1274 1.203,1275 2.032,1276 1.658,1277 1.598,1278 1.858,1279 1.877,1280 1.04,1281 1.874,1282 1.532,1283 1.488,1284 1.717,1285 1.714,1286 0.936,1287 1.692,1288 1.457,1289 1.421,1290 1.636,1291 1.673,1292 0.853,1293 1.68,1294 1.171,1295 1.11,1296 1.513,1297 1.444,1298 0.825,1299 1.429,1300 1.153,1301 1.064,1302 1.374,1303 1.376,1304 0.543,1305 1.424,1306 1.011,1307 0.931,1308 1.286,1309 1.273,1310 0.399,1311 1.289,1312 4.078,1314 5.371,1315 3.045,1316 6.847,1317 5.416,1318 8.407,1319 7.506,1320 10.014,1327 10.011,1328 9.292,1329 3.382,1333 2.465,1340 31.31,1341 77.773,1342 173.59,1343 223.403,1344 260.423,1345 264.423,1346 266.423,1347 34.854,1348 7.419,1349 66.46,1350 66.46,1351 22,1352 12.358,1353 4,1354 3.087,1355 38.466,1356 120,1357 102,1358 0.155,1359 190.649,1360 318.16,1361 456.944,1362 19598,1364 17.769,1365 0.683,1366 0.578,1367 17.769,1368 15.025,1369 12.793,1370 0.441,1371 0.326,1372 9.305,1373 12.272,1374 9.158,1375 7.553,1376 12.793,1377 9.443,1378 11.155,1379 0.286,1380 0.178,1381 11.155,1382 6.934,1383 9.364,1384 0.184,1385 0.098,1386 9.364,1387 4.991,1388 8.028,1389 0.12,1390 0.054,1391 8.028,1392 3.626,1393 6.116,1394 0.082,1395 0.032,1396 6.116,1397 2.432,1398 0.254,1399 80.209,1400 0.223,1401 25.918,1402 0.394,1403 136,1404 355.153,1405 150.859,1406 340.596,1407 474.95,1408 322,1409 158,1410 359.88,1411 173.638,1412 359.591,1413 528.88,1414 340,1415 5.921}
{0 CHEMBL156710,1 1.374,2 5.077,3 2.267,4 5.139,5 50.489,6 6.75,7 0.462,8 3.372,9 3.471,10 2.843,11 2.776,12 4.497,13 2.771,14 3.881,15 4.067,16 3.076,17 3.03,18 4.871,19 3.028,20 3.824,21 3.921,22 3.24,23 3.156,24 4.981,25 3.145,26 4.039,27 4.209,28 3.194,29 3.191,30 5.094,31 3.143,32 4.158,33 4.348,34 2.786,35 3.111,36 5.114,37 3.015,38 3.961,39 4.207,40 1.945,41 2.931,42 4.749,43 2.662,44 3.903,45 4.34,46 0.836,47 2.456,48 4.205,49 1.957,50 2.831,51 3.305,52 0.12,53 1.283,54 2.944,55 0.81,56 0.018,57 0.322,58 6.297,59 2.665,60 6.185,61 3.387,62 0.251,63 0.445,64 11.653,65 3.64,66 17.508,67 4.761,68 0.268,69 0.485,70 10.453,71 4.014,72 14.943,73 5.122,74 0.203,75 0.553,76 13.168,77 4.622,78 17.827,79 6.246,80 0.454,81 0.537,82 15.901,83 4.41,84 30.733,85 5.885,86 0.225,87 0.475,88 12.393,89 4.154,90 20.529,91 6.017,92 0.179,93 0.367,94 12.104,95 3.459,96 17.941,97 5.984,98 0.075,99 0.106,100 4.111,101 1.016,102 6.453,103 1.878,104 26,105 17,106 0.28,107 0.506,108 0.601,109 0.622,110 0.642,111 0.705,112 2.669,113 0.921,114 -2.86,115 -2.87,116 -2.78,121 37,122 1,126 3,144 2,145 1,146 3,176 3,180 2,187 3,191 2,192 4,205 1,206 5,219 1,281 130,282 8.749,283 8.749,284 8.749,285 8.749,286 8.749,287 7.972,288 12.577,289 5.075,290 9.258,291 6.197,292 6.197,293 6.197,294 6.197,295 6.197,296 4.869,297 15.415,298 2.095,299 6.726,300 3.381,301 2.27,302 1.807,303 1.705,304 1.603,305 1.297,306 3.269,311 1,312 1,313 125,314 2.236,318 42.438,325 0.568,326 9.945,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 29,338 66,339 4.412,340 3.371,341 6.517,342 3.996,343 3.051,344 4.096,345 0.86,346 10.224,347 2.879,348 3.473,349 2.555,350 5.19,351 3.107,352 2.128,353 2.793,354 0.86,355 6.118,356 2.075,357 3.355,358 2.42,359 5.01,360 2.972,361 2.061,362 2.604,363 0.86,364 5.904,365 1.867,366 2.189,367 1.94,368 3.711,369 1.963,370 1.14,371 1.177,373 2.31,374 0.934,375 1.576,376 1.02,377 2.859,378 1.27,379 0.396,380 0.452,382 0.603,383 0.342,384 1.415,385 0.916,386 2.493,387 1.172,388 0.333,389 0.353,391 0.421,392 0.277,393 0.942,394 0.233,395 2.294,396 0.649,397 -0.287,398 -0.333,400 -0.504,401 -0.263,402 0.65,403 -0.339,404 2.173,405 0.24,406 -0.694,407 -0.878,409 -1.641,410 -0.637,411 0.089,412 -0.36,413 1.187,414 -0.096,415 -1,416 -1.06,418 -2.031,419 -0.888,420 -0.424,421 -1.054,422 1.111,423 -0.736,424 -1.649,425 -1.832,427 -4.299,428 -1.416,429 -0.5,430 -1.413,431 0.528,432 -0.857,433 -1.717,434 -2.178,435 -0.86,436 -5.025,437 -1.572,438 -0.581,439 -1.45,440 0.47,441 -0.882,442 -1.764,443 -2.195,444 -0.86,445 -5.159,446 -1.597,447 -0.596,448 -2,449 0.457,450 -1,451 -2,452 -3,453 -0.86,454 -6.921,455 -2,474 6,475 0.462,476 0.277,477 0.021,478 15.5,479 1.192,480 7.5,481 0.577,482 8,483 0.615,484 8.402,485 0.646,486 15.6,487 0.578,488 9.658,489 0.743,490 3.524,491 0.271,492 2.699,493 0.208,494 0.333,496 0.333,501 0.904,502 1.533,503 0.866,504 1.48,505 0.897,506 1.209,507 1.574,508 0.599,509 0.861,510 0.561,511 1.335,512 0.549,513 0.851,514 1.328,515 0.96,516 1.31,517 0.849,518 1.181,519 0.888,520 1.416,521 0.963,522 1.389,523 0.733,524 1.221,525 2.02,526 0.909,527 1.623,528 0.93,529 1.916,530 1.149,531 0.99,532 1.385,533 1.573,534 1.447,535 1.329,536 1.616,537 0.027,538 0.457,539 0.351,540 0.476,541 0.171,542 0.487,549 3,551 1.556,552 1.25,553 1.044,554 0.299,559 787,560 2262,561 1.831,562 51.9,563 3,564 11,572 1.495,573 1.66,574 2.396,575 -0.748,579 1,582 37.105,583 1.374,584 2.485,585 2.948,586 3.05,587 3.152,588 3.458,589 1.526,590 3.085,591 3.67,592 2.401,593 187.252,594 6.129,595 1434.21,597 1,600 128.382,601 1.577,602 3.584,603 0.231,605 0.092,606 0.066,607 0.061,608 0.03,613 0.479,614 1,615 1,616 1.296,617 46.313,618 -0.017,619 -0.302,620 0.063,621 -0.268,622 -0.032,623 -0.11,624 -0.237,625 0.4,626 0.182,627 0.418,628 -0.127,629 0.399,630 0.283,631 -0.141,632 0.018,633 -0.151,634 0.179,635 -0.131,636 0.115,637 -0.357,638 -0.002,639 -0.34,640 0.232,641 -0.218,642 -0.479,643 0.023,644 -0.561,645 -0.027,646 -0.54,647 -0.273,648 -0.208,649 -0.434,650 -0.669,651 -0.489,652 -0.48,653 -0.658,654 0.243,655 0.232,656 0.513,657 0.275,658 0.361,659 0.431,660 0.304,661 0.583,662 0.894,663 0.655,664 0.575,665 0.874,666 1.032,667 1.663,668 0.462,669 6.154,670 1.006,671 1.131,672 1.633,673 2.666,674 0.618,675 2.639,676 2.89,677 3.135,678 3.332,679 3.367,680 3.045,681 2.565,682 1.792,683 1.099,685 3.293,686 0.586,687 182.24,688 2.639,689 4.111,690 4.934,691 5.796,692 6.642,693 7.507,694 8.358,695 9.222,696 10.074,697 10.938,715 2,720 4,722 6,739 3,741 27,743 6,744 1,745 13,747 27,748 10,749 6,750 4,751 2,756 1,757 1,763 1,772 6,773 4,790 1,793 14,794 3,796 3,808 1,809 3,829 1,859 1,864 4,868 13,878 3,893 11.1,898 3,901 7.833,902 6.167,903 3.222,904 1.333,907 1.261,908 1.248,909 0.873,910 3.425,911 6.336,912 2.833,913 3.384,914 3.937,915 4.438,916 4.837,917 4.756,918 4.407,919 3.596,920 2.784,922 0.5,923 19,924 4.743,925 -0.003,926 1.764,927 0.026,929 7.744,931 8.945,932 -0.001,933 6.315,934 -0.002,936 2.244,937 29.167,938 0.007,941 164.795,942 79.343,945 33,948 79.343,949 197.795,951 41.474,953 18.952,955 51.916,957 164.795,959 164.795,960 79.343,961 33,964 164.795,965 33,968 8.825,969 70.518,972 164.795,973 33,974 79.343,977 164.795,978 18.916,979 60.427,981 33,982 164.795,983 33,984 79.343,986 0.551,987 0.36,988 0.209,989 0.105,990 7,991 4,992 0.111,993 3,995 1,996 2.344,997 73.44,999 6,1000 40.106,1005 10.187,1006 4.371,1007 2.066,1009 33,1010 3.808,1015 3.101,1018 277.138,1019 16,1031 27.167,1032 30.535,1034 0.289,1035 0.523,1036 0.62,1037 0.641,1038 0.663,1039 0.727,1040 4.016,1041 -0.694,1042 4.92,1043 -0.504,1044 3.555,1045 4.06,1046 1.693,1047 5.733,1048 3.416,1049 5.216,1050 -1,1051 6.491,1052 -1.641,1053 3.219,1054 4.007,1056 6.72,1057 3.063,1058 6.531,1059 -1.649,1060 8.163,1061 -2.031,1062 5.142,1063 6.275,1064 1.454,1065 9.774,1066 4.902,1067 7.889,1068 -1.717,1069 9.893,1070 -4.299,1071 5.602,1072 6.986,1074 11.545,1075 5.31,1076 9.277,1077 -1.764,1078 11.658,1079 -5.025,1080 7.022,1081 8.78,1082 1.232,1083 14.143,1084 6.682,1085 10.685,1086 -2,1087 13.448,1088 -5.159,1089 7.849,1090 9.839,1092 16.239,1093 7.436,1094 12.108,1096 15.255,1097 -6.921,1098 9.076,1099 11.439,1100 1.028,1101 18.676,1102 8.625,1103 3.051,1105 17.077,1107 10.069,1108 12.671,1110 20.905,1111 9.542,1112 2.128,1113 10.224,1114 18.909,1116 11.225,1117 14.179,1118 0.845,1119 23.279,1120 10.655,1121 2.061,1122 6.118,1123 20.749,1124 4.096,1125 12.289,1126 15.498,1128 25.563,1129 11.647,1130 1.14,1131 5.904,1132 22.596,1133 2.793,1134 13.418,1135 16.96,1136 0.684,1137 27.91,1138 12.73,1139 0.396,1140 2.31,1141 24.449,1142 2.604,1143 14.512,1144 18.323,1146 30.217,1147 13.756,1148 0.333,1149 0.603,1150 26.307,1151 1.177,1152 15.632,1153 19.76,1154 0.546,1155 32.552,1156 14.825,1157 -0.287,1158 0.421,1159 28.167,1160 0.452,1161 16.739,1162 21.146,1164 34.868,1165 15.868,1166 934,1167 1644,1168 7.86,1169 16.693,1170 18.071,1171 19.054,1172 20.419,1173 18.069,1174 18.221,1175 22.951,1176 5.16,1177 51.158,1178 16.749,1179 5.008,1180 5.371,1181 6.06,1182 4.996,1183 5.051,1184 7.096,1185 1.72,1186 17.144,1187 4.879,1188 7.744,1189 1.39,1190 1.466,1191 1.571,1192 1.39,1193 1.402,1194 1.765,1195 0.397,1196 3.935,1197 1.288,1198 3.943,1199 3.953,1200 3.9,1201 3.85,1202 4.975,1203 3.858,1204 3.334,1205 3.392,1206 3.175,1207 3.11,1208 4.58,1209 3.117,1210 3.303,1211 3.355,1212 3.144,1213 3.006,1214 4.466,1215 3.026,1216 3.207,1217 3.285,1218 2.973,1219 2.899,1220 4.255,1221 2.897,1222 2.957,1223 3.066,1224 2.668,1225 2.745,1226 3.597,1227 2.711,1228 2.704,1229 2.776,1230 2.498,1231 2.562,1232 3.409,1233 2.537,1234 2.417,1235 2.496,1236 2.157,1237 2.218,1238 3.118,1239 2.192,1240 1.626,1241 1.7,1242 1.365,1243 1.126,1244 2.858,1245 1.159,1246 0.339,1247 0.259,1248 0.501,1249 0.307,1250 0.235,1251 4.412,1252 0.315,1253 3.371,1254 0.066,1255 6.517,1256 0.786,1257 3.996,1258 0.221,1259 3.051,1260 4.096,1261 0.86,1262 10.224,1263 2.879,1264 1.891,1265 1.879,1266 1.991,1267 2.008,1268 1.121,1269 1.999,1270 1.291,1271 1.233,1272 1.618,1273 1.568,1274 0.638,1275 1.587,1276 1.227,1277 1.163,1278 1.59,1279 1.558,1280 0.584,1281 1.565,1282 1.165,1283 1.078,1284 1.567,1285 1.499,1286 0.569,1287 1.522,1288 0.997,1289 0.891,1290 1.393,1291 1.248,1292 0.484,1293 1.305,1294 0.727,1295 0.661,1296 1.004,1297 0.918,1298 0.09,1299 0.951,1300 0.424,1301 0.349,1302 0.69,1303 0.662,1305 0.679,1309 0.008,1312 3.296,1314 4.554,1316 6.047,1318 7.655,1320 9.319,1322 6.785,1330 15.472,1340 15.832,1341 37.105,1342 67.098,1343 79.588,1344 82.343,1345 85.098,1346 93.362,1347 15.321,1348 5.075,1349 27.69,1350 27.69,1351 6,1352 11.487,1353 2.807,1354 2,1355 24.48,1356 26,1357 21,1358 0.536,1359 102.507,1360 176.75,1361 241.877,1362 623,1364 9.845,1365 0.757,1366 0.645,1367 9.845,1368 8.379,1369 6.223,1370 0.479,1371 0.307,1372 3.867,1373 5.769,1374 3.601,1375 3.122,1376 6.223,1377 3.992,1378 4.985,1379 0.293,1380 0.159,1381 4.985,1382 2.703,1383 4.141,1384 0.188,1385 0.082,1386 4.141,1387 1.809,1388 3.47,1389 0.129,1390 0.045,1391 3.47,1392 1.212,1393 2.546,1394 0.091,1395 0.028,1396 2.546,1397 0.782,1398 0.757,1399 40.685,1400 0.357,1401 12.77,1402 1.727,1403 60,1404 229.207,1405 68.636,1406 205.068,1407 272.7,1408 194,1409 69,1410 187.636,1411 78.523,1412 192.964,1413 275.02,1414 174,1415 5.31}
{0 CHEMBL156763,1 1.279,2 7.889,3 3.114,4 9.698,5 74.492,6 6.241,7 0.3,8 3.728,9 3.859,10 3.161,11 3.308,12 4.61,13 3.239,14 4.352,15 4.554,16 3.519,17 3.757,18 5.138,19 3.657,20 4.68,21 4.925,22 3.535,23 3.903,24 5.476,25 3.752,26 4.751,27 5.043,28 3.304,29 3.79,30 5.53,31 3.591,32 4.529,33 4.836,34 3.138,35 3.574,36 5.243,37 3.386,38 4.331,39 4.599,40 3.029,41 3.442,42 5.159,43 3.277,44 4.17,45 4.439,46 2.86,47 3.333,48 4.965,49 3.16,50 4.01,51 4.272,52 2.595,53 3.197,54 4.786,55 2.984,56 0.038,57 0.538,58 9.409,59 4.093,60 4.712,61 5.761,62 0.113,63 0.947,64 17.741,65 7.011,66 9.78,67 10.153,68 0.167,69 1.206,70 24.53,71 9.54,72 18.827,73 13.766,74 0.279,75 1.189,76 26.319,77 9.695,78 36.144,79 14.111,80 0.165,81 0.945,82 20.834,83 7.817,84 21.28,85 11.399,86 0.164,87 0.789,88 17.35,89 6.409,90 21.967,91 9.168,92 0.13,93 0.673,94 14.6,95 5.733,96 18.988,97 8.117,98 0.068,99 0.583,100 12.169,101 5.214,102 13.861,103 7.376,104 5,105 28,106 0.233,107 0.532,108 0.756,109 0.819,110 0.828,111 0.828,112 2.961,113 1.062,114 -4.29,115 -4.23,116 -3.99,121 41,122 1,123 3,124 2,127 3,144 4,145 2,159 1,176 11,180 5,187 13,192 5,200 7,205 1,206 5,214 5,219 3,227 3,232 4,239 6,244 1,251 7,256 1,264 8,277 4,281 348,282 12.223,283 12.223,284 12.223,285 12.223,286 12.223,287 11.405,288 13.189,289 7.211,290 12.307,291 9.872,292 9.872,293 9.872,294 9.872,295 9.872,296 8.594,297 14.364,298 3.453,299 9.987,300 4.006,301 2.365,302 1.135,303 0.789,304 0.737,305 0.737,306 3.64,310 1,311 1,312 1,313 310,314 2,317 33.936,318 97.636,321 66.87,325 1.136,326 12.515,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 37.5,338 142,339 4.449,340 3.789,341 6.686,342 4.183,343 3.172,344 4.005,345 1.277,346 10.754,347 3.208,348 3.669,349 2.87,350 5.632,351 3.579,352 2.622,353 2.814,354 0.8,355 7.588,356 2.516,357 3.46,358 2.676,359 5.302,360 3.238,361 2.24,362 2.569,364 6.506,365 2.236,366 3.112,367 2.24,368 4.911,369 2.949,370 1.965,371 2.165,373 5.602,374 1.921,375 2.938,376 1.926,377 4.732,378 2.671,379 1.669,380 2.059,382 4.925,383 1.666,384 2.733,385 1.445,386 3.631,387 2.354,388 1.356,389 1.792,391 2.97,392 1.353,393 2.267,394 1.31,395 3.446,396 1.984,397 1,398 1.086,400 2.275,401 0.983,402 2,403 1.077,404 3.414,405 1.819,406 0.779,407 1,409 1.885,410 0.805,411 1.289,412 0.379,413 2.94,414 1.17,415 0.191,416 0.199,418 0.469,419 0.186,420 0.973,421 0.237,422 2.305,423 0.72,424 -0.305,425 -0.349,427 -0.704,428 -0.31,429 0.64,430 -0.449,431 2,432 0.289,433 -0.727,434 -0.892,436 -1.797,437 -0.735,438 0.402,439 -0.778,440 2,441 0.127,442 -0.865,443 -1,445 -2.147,446 -0.858,447 0.123,448 -0.784,449 2,450 -0.049,451 -1,452 -1.134,454 -3,455 -0.946,457 -0.927,458 1.683,459 -0.167,460 -1.176,461 -1.369,463 -3.049,464 -1.178,465 -0.282,466 -1.231,467 1.268,468 -0.38,469 -1.399,470 -1.612,472 -3.585,473 -1.423,474 8.733,475 0.485,476 0.435,477 0.024,478 18.5,479 1.028,480 7.5,481 0.417,482 11,483 0.611,484 16.425,485 0.913,486 20.067,487 0.515,488 10.046,489 0.558,490 3.131,491 0.174,492 5.606,493 0.311,494 0.095,496 0.332,501 0.622,502 1.302,503 0.943,504 1.155,505 0.504,506 1.086,507 0.891,508 1.077,509 1.021,510 1.024,511 0.543,512 1.019,513 0.983,514 1.161,515 1.084,516 1.148,517 0.847,518 1.122,519 1.16,520 0.974,521 1.008,522 0.961,523 1.219,524 0.973,525 0.97,526 0.846,527 0.822,528 0.831,529 0.94,530 0.816,531 1.578,532 0.976,533 1.074,534 0.959,535 1.725,536 0.977,537 1.351,538 0.851,539 1.058,540 0.914,541 1.519,542 0.96,543 0.651,544 1.176,545 1.15,546 1.264,547 0.774,548 1.256,549 3.5,550 0.02,551 2,552 1.514,553 0.764,554 0.476,555 0.278,556 0.124,557 0.11,558 0.047,559 2891,560 5193,561 2.12,562 53.8,563 6,564 10,568 1,569 4,572 1.585,573 2,574 2.993,575 -0.873,577 1,579 1,582 49.892,583 1.279,584 2.92,585 4.15,586 4.497,587 4.548,588 4.548,589 2.441,590 3.948,591 4.143,592 3.083,593 471.689,594 7.02,595 4380.43,596 1,597 1,599 1,600 206.131,601 1.352,602 4.109,603 0.175,604 0.01,605 0.071,606 0.058,607 0.04,608 0.028,609 0.019,610 0.01,611 0.012,612 0.012,613 0.435,614 0.83,615 1,616 0.584,617 75.968,618 0.034,619 -0.092,620 0.068,621 -0.003,622 0.013,623 0.026,624 -0.06,625 0.066,626 -0.016,627 0.021,628 0.004,629 0.012,630 -0.025,631 -0.133,632 -0.098,633 -0.153,634 0.021,635 -0.133,636 0.041,637 -0.041,638 -0.025,639 -0.033,640 0.006,641 -0.036,642 0.036,643 0.072,644 0.143,645 0.096,646 0.046,647 0.125,648 -0.13,649 -0.022,650 -0.065,651 -0.009,652 -0.139,653 -0.03,654 -0.153,655 0.101,656 -0.072,657 0.06,658 -0.159,659 0.009,660 -0.034,661 -0.226,662 -0.216,663 -0.25,664 -0.033,665 -0.249,666 1.302,667 5.308,668 0.833,669 11.222,670 0.981,671 1.125,672 3.064,673 9.385,674 0.643,675 3.045,676 3.367,677 3.638,678 3.892,679 4.094,680 4.043,681 4.143,682 4.234,683 4.127,684 4.127,685 4.695,686 0.59,687 243.38,688 3.045,689 4.575,690 5.425,691 6.301,692 7.171,693 8.052,694 8.931,695 9.815,696 10.698,697 11.585,698 2.6,701 1,715 4,720 2,722 6,727 1,741 39,743 7,744 1,745 20,747 41,748 16,749 6,750 2,751 4,752 1,756 3,757 4,763 1,767 3,768 2,770 3,772 7,773 9,774 2,777 1,782 1,786 1,790 1,793 21,794 2,796 2,802 1,808 0.667,809 1,828 1,829 2,832 1,855 1,859 2,864 1,868 18,876 6,880 2,881 1,893 2.6,896 1,901 9,902 7.117,903 3.917,904 2.675,907 1.29,908 1.198,909 0.967,910 3.214,911 7.798,912 3.219,913 3.701,914 4.186,915 4.643,916 5.068,917 5.085,918 5.334,919 5.509,920 5.401,921 5.419,922 1,923 26,924 6.743,926 2.905,927 0.026,929 7.481,931 13.575,933 11.898,936 1.981,937 35.667,938 0.005,941 247.193,942 72.156,943 3.124,945 25.145,948 72.156,949 272.338,950 3.124,951 8.825,952 13.921,953 37.905,954 30.278,955 9.495,957 247.193,959 247.193,960 75.28,961 25.145,964 200.109,965 72.229,968 25.87,969 49.41,972 247.193,973 28.269,974 72.156,977 247.193,978 25.425,979 49.855,981 25.145,982 247.193,983 28.269,984 72.156,986 0.584,987 0.341,988 0.182,989 0.102,990 15,991 6,992 0.049,993 2,994 1,995 1.133,996 3.107,997 130.296,998 0.133,999 15,1000 71.059,1005 11.92,1006 4.853,1007 2.379,1009 28.269,1010 8.097,1015 2.214,1018 347.618,1019 24,1024 12.308,1028 0.365,1031 38.265,1032 43.86,1034 0.242,1035 0.553,1036 0.785,1037 0.851,1038 0.861,1039 0.861,1040 4.472,1041 0.779,1042 5.407,1043 2.275,1044 4.043,1045 4.382,1046 1.653,1047 6.209,1048 4.026,1049 5.621,1050 0.191,1051 6.959,1052 1.885,1053 3.611,1054 4.06,1055 0.325,1056 7.076,1057 3.599,1058 6.898,1059 -0.305,1060 8.612,1061 0.469,1062 5.624,1063 6.377,1064 1.915,1065 10.188,1066 5.598,1067 8.206,1068 -0.727,1069 10.323,1070 -0.704,1071 6.019,1072 6.91,1073 0.268,1074 11.925,1075 6.017,1076 9.554,1077 -0.865,1078 12.074,1079 -1.797,1080 7.507,1081 8.736,1082 2.299,1083 14.556,1084 7.492,1085 10.928,1086 -1,1087 13.854,1088 -2.147,1089 8.299,1090 9.69,1091 0.188,1092 16.668,1093 8.317,1094 12.326,1095 -1.176,1096 15.655,1097 -3,1098 9.574,1099 11.303,1100 2.732,1101 19.134,1102 9.588,1103 3.172,1104 -1.399,1105 17.474,1106 -3.049,1107 10.557,1108 12.468,1109 0.125,1110 21.402,1111 10.602,1112 2.622,1113 10.754,1114 19.308,1115 -3.585,1116 11.746,1117 13.977,1118 3.189,1119 23.81,1120 11.797,1121 2.24,1122 7.588,1123 21.153,1124 4.005,1125 12.819,1126 15.247,1127 0.082,1128 26.142,1129 12.895,1130 1.965,1131 6.506,1132 23.008,1133 2.814,1134 13.978,1135 16.702,1136 3.66,1137 28.529,1138 14.065,1139 1.669,1140 5.602,1141 24.871,1142 2.569,1143 15.091,1144 18.027,1145 0.054,1146 30.886,1147 15.199,1148 1.356,1149 4.925,1150 26.74,1151 2.165,1152 16.24,1153 19.452,1154 4.139,1155 33.265,1156 16.362,1157 1,1158 2.97,1159 28.615,1160 2.059,1161 17.373,1162 20.806,1163 0.035,1164 35.633,1165 17.513,1166 2804,1167 3840,1168 13.523,1169 25.074,1170 30.237,1171 30.961,1172 30.988,1173 29.985,1174 29.987,1175 35.379,1176 4.155,1177 85.947,1178 29.746,1179 5.449,1180 5.789,1181 6.367,1182 5.219,1183 5.172,1184 7.005,1185 2.555,1186 17.795,1187 5.208,1188 7.062,1189 1.512,1190 1.548,1191 1.549,1192 1.499,1193 1.499,1194 1.769,1195 0.208,1196 4.297,1197 1.487,1198 4.041,1199 4.069,1200 3.981,1201 3.972,1202 7.426,1203 3.97,1204 3.856,1205 3.915,1206 3.729,1207 3.725,1208 4.716,1209 3.717,1210 3.519,1211 3.573,1212 3.399,1213 3.403,1214 4.357,1215 3.395,1216 3.236,1217 3.319,1218 3.07,1219 3.033,1220 3.991,1221 3.028,1222 3.111,1223 3.206,1224 2.866,1225 2.941,1226 3.777,1227 2.91,1228 2.988,1229 3.029,1230 2.866,1231 2.845,1232 3.625,1233 2.842,1234 2.863,1235 2.963,1236 2.613,1237 2.679,1238 3.474,1239 2.651,1240 2.572,1241 2.641,1242 2.413,1243 2.305,1244 3.355,1245 2.322,1246 0.222,1247 0.189,1248 0.334,1249 0.209,1250 0.159,1251 4.449,1252 0.2,1253 3.789,1254 0.064,1255 6.686,1256 0.538,1257 4.183,1258 0.16,1259 3.172,1260 4.005,1261 1.277,1262 10.754,1263 3.208,1264 1.892,1265 1.869,1266 2.082,1267 2.042,1268 1.447,1269 2.059,1270 1.867,1271 1.808,1272 2.002,1273 1.961,1274 1.225,1275 1.976,1276 1.617,1277 1.574,1278 1.823,1279 1.776,1280 1.088,1281 1.794,1282 1.226,1283 1.137,1284 1.563,1285 1.475,1286 0.825,1287 1.508,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.758,1293 1.429,1294 1.036,1295 1,1296 1.296,1297 1.216,1298 0.496,1299 1.234,1300 0.89,1301 0.809,1302 1.178,1303 1.133,1304 0.286,1305 1.161,1306 0.703,1307 0.609,1308 1.068,1309 0.95,1310 0.209,1311 0.996,1312 3.714,1314 5.03,1315 2.398,1316 6.544,1317 4.844,1318 8.141,1319 7.018,1320 9.781,1322 2.327,1328 6.811,1332 1.063,1333 2.481,1340 23.004,1341 49.892,1342 113.889,1343 161.866,1344 175.376,1345 177.376,1346 177.376,1347 26.881,1348 6.507,1349 20.31,1350 20.31,1351 17,1352 12.117,1353 3,1354 2.322,1355 25.807,1356 50,1357 52,1358 0.259,1359 141.149,1360 246.61,1361 336.163,1362 5004,1364 12.535,1365 0.696,1366 0.615,1367 12.535,1368 11.062,1369 8.737,1370 0.437,1371 0.354,1372 7.037,1373 8.57,1374 6.83,1375 5.653,1376 8.737,1377 7.083,1378 7.925,1379 0.283,1380 0.211,1381 7.925,1382 5.906,1383 6.764,1384 0.183,1385 0.121,1386 6.764,1387 4.475,1388 5.478,1389 0.114,1390 0.067,1391 5.478,1392 3.221,1393 4.565,1394 0.077,1395 0.042,1396 4.565,1397 2.465,1398 0.396,1399 53.613,1400 0.272,1401 18.007,1402 0.734,1403 96,1404 203.381,1405 100.185,1406 200,1407 274.32,1408 188,1409 113,1410 197.749,1411 117.99,1412 203.273,1413 298.28,1414 192,1415 6.319}
{0 CHEMBL156861,1 1.713,2 8.238,3 3.459,4 11.961,5 84.869,6 9.466,7 0.435,8 3.726,9 3.837,10 3.502,11 3.274,12 4.827,13 3.254,14 4.271,15 4.452,16 3.951,17 3.688,18 5.374,19 3.648,20 4.392,21 4.546,22 4.232,23 3.835,24 5.474,25 3.78,26 4.466,27 4.612,28 4.272,29 3.898,30 5.563,31 3.808,32 4.528,33 4.723,34 4.224,35 3.854,36 5.572,37 3.707,38 4.476,39 4.726,40 3.731,41 3.617,42 5.4,43 3.434,44 4.16,45 4.402,46 3.344,47 3.273,48 5.151,49 3.125,50 3.894,51 4.119,52 2.896,53 2.983,54 4.971,55 2.86,56 0.044,57 0.545,58 5.191,59 3.281,60 4.789,61 4.036,62 0.37,63 0.871,64 14.784,65 5.587,66 28.299,67 7.16,68 0.258,69 0.959,70 18.887,71 7.173,72 19.36,73 8.382,74 0.313,75 1.012,76 22.614,77 7.648,78 26.285,79 8.587,80 0.346,81 1.015,82 36.216,83 9.091,84 29.745,85 10.787,86 0.336,87 0.874,88 48.027,89 9.223,90 31.728,91 11.171,92 0.375,93 0.633,94 28.63,95 6.234,96 26.445,97 7.531,98 0.179,99 0.509,100 21.853,101 4.462,102 20.378,103 5.34,104 32,105 34,106 0.31,107 0.669,108 0.795,109 0.854,110 0.854,111 0.854,112 3.105,113 0.982,114 -3.16,115 -3.16,116 -3.03,119 1,121 40.5,123 2,126 3,144 2,145 2,146 2,154 2,159 1,161 1,176 4,179 1,180 5,183 2,187 4,191 1,192 8,200 5,206 4,211 1,214 4,218 1,219 5,224 3,227 3,232 4,237 1,239 1,243 2,244 1,247 1,249 1,256 1,261 1,268 1,272 1,281 511,282 14.154,283 14.154,284 14.154,285 14.154,286 14.154,287 12.339,288 17.461,289 7.96,290 14.621,291 11.161,292 11.161,293 11.161,294 11.161,295 11.161,296 8.489,297 19.349,298 3.557,299 11.893,300 3.496,301 1.516,302 0.818,303 0.494,304 0.494,305 0.494,306 3.777,310 1,311 1,312 1,313 365,314 3.162,317 70.139,318 42.495,320 57.332,321 62.624,324 87.744,325 1.32,326 17.293,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 45.25,338 173,339 4.855,340 3.7,341 7.221,342 4.409,343 3.446,344 4.831,345 2.186,346 12.74,347 3.314,348 4.187,349 3.575,350 6.407,351 3.766,352 2.841,353 3.709,354 0.986,355 9.682,356 2.612,357 3.781,358 3.153,359 5.824,360 3.369,361 2.422,362 3.144,363 0.366,364 7.799,365 2.263,366 3.57,367 2.666,368 5.564,369 3.145,370 2.211,371 2.863,373 6.895,374 2.037,375 3.382,376 2.308,377 4.968,378 2.95,379 1.976,380 2.626,382 5.578,383 1.908,384 2.947,385 1.973,386 4.766,387 2.445,388 1.491,389 2.06,391 4.551,392 1.417,393 2.679,394 1.676,395 4.253,396 2.271,397 1.35,398 1.73,400 3.527,401 1.182,402 1.922,403 1.117,404 3.548,405 1.74,406 0.774,407 0.855,409 1.853,410 0.735,411 1.653,412 1.082,413 3.158,414 1.379,415 0.511,416 0.556,418 0.981,419 0.418,420 1.473,421 0.88,422 2.799,423 1.245,424 0.31,425 0.329,427 0.459,428 0.288,429 1.314,430 0.679,431 2.718,432 0.965,433 0.08,434 0.094,436 0.136,437 0.057,438 0.991,439 0.342,440 2.475,441 0.578,442 -0.342,443 -0.428,445 -0.874,446 -0.283,447 0.631,448 -0.226,449 2.17,450 0.179,451 -0.778,452 -0.984,454 -1.908,455 -0.678,456 0.356,457 -0.515,458 2,459 -0.009,460 -0.947,461 -1.181,463 -2.352,464 -0.872,465 0.005,466 -0.774,467 2,468 -0.387,469 -1.318,470 -1.627,472 -3.081,473 -1.036,474 10.7,475 0.51,476 0.593,477 0.028,478 25.5,479 1.214,480 11.5,481 0.548,482 14,483 0.667,484 19.265,485 0.917,486 22.3,487 0.603,488 16.296,489 0.776,490 4.967,491 0.237,492 5.112,493 0.243,494 0.296,496 0.411,501 0.782,502 1.427,503 0.485,504 0.908,505 0.585,506 0.9,507 0.684,508 0.759,509 0.521,510 0.536,511 0.464,512 0.593,513 0.948,514 1.041,515 0.823,516 0.888,517 0.765,518 0.842,519 1.34,520 1.147,521 1.239,522 1.075,523 1.214,524 1.1,525 0.786,526 1.161,527 1.5,528 1.37,529 0.815,530 1.275,531 0.927,532 1.062,533 1.675,534 1.371,535 0.802,536 1.166,537 1.073,538 0.82,539 1.242,540 1.048,541 0.981,542 1.004,543 1.262,544 1.336,545 1.335,546 1.395,547 1.662,548 1.29,549 4,550 0.017,551 2.889,552 2.514,553 1.779,554 0.799,555 0.43,556 0.306,557 0.168,558 0.065,559 3674,560 11217,561 2.018,562 43.2,563 2,564 11,567 1,568 2,572 1.637,573 1.826,574 2.992,575 -0.244,577 1,579 1,582 63.392,583 1.713,584 3.693,585 4.391,586 4.716,587 4.716,588 4.716,589 2.529,590 4.107,591 4.357,592 3.101,593 651.238,594 7.497,595 6559.76,596 1,597 1,598 1,599 1,600 192.75,601 1.545,602 4.289,603 0.174,604 0.006,605 0.085,606 0.068,607 0.052,608 0.03,609 0.023,610 0.02,611 0.015,612 0.011,613 0.483,614 0.67,615 1,616 1.444,617 92.386,618 -0.052,619 -0.25,620 0.004,621 -0.073,622 -0.042,623 -0.02,624 0.217,625 0.356,626 0.072,627 0.307,628 0.199,629 0.308,630 0.005,631 0.017,632 0.079,633 0.077,634 0.009,635 0.1,636 -0.262,637 -0.08,638 -0.047,639 -0.037,640 -0.189,641 -0.167,642 0.051,643 -0.18,644 -0.055,645 -0.244,646 0.022,647 -0.258,648 -0.02,649 -0.208,650 -0.142,651 -0.211,652 -0.009,653 -0.093,654 0.08,655 0.052,656 -0.092,657 -0.016,658 0.005,659 0.006,660 -0.162,661 -0.408,662 -0.215,663 -0.397,664 -0.118,665 -0.318,666 2.14,667 4.428,668 0.571,669 15.46,670 1.01,671 1.126,672 1.934,673 3.741,674 0.692,675 3.178,676 3.555,677 3.932,678 4.277,679 4.511,680 4.673,681 4.836,682 4.905,683 4.868,684 4.771,685 4.751,686 0.654,687 350.24,688 3.178,689 4.745,690 5.645,691 6.572,692 7.499,693 8.438,694 9.375,695 10.319,696 11.262,697 12.209,698 8.1,705 1,706 1,707 1,714 2,715 2,720 4,721 1,722 10,725 1,737 1,740 1,741 37,743 12,744 1,745 23,746 1,747 39,748 15,749 8,750 4,751 2,752 1,756 3,757 6,767 2,770 2,772 10,773 5,777 2,782 1,785 1,786 2,789 1,790 1,793 16,794 4,795 1,796 6,797 1,802 3,808 0.333,809 2,824 1,828 2,829 1,831 1,832 1,835 1,859 1,863 1,864 3,868 21,876 2,877 1,878 1,892 1,893 5.4,896 1,898 1,901 11.5,902 7.793,903 4.722,904 2.176,907 2.406,908 1.342,909 0.993,910 3.801,911 9.434,912 3.434,913 4.115,914 4.797,915 5.479,916 6.05,917 6.51,918 6.961,919 7.329,920 7.479,921 7.558,922 0.833,923 37,924 7.735,926 3.249,927 0.026,929 7.742,931 14.798,933 12.103,936 2.242,937 47.083,941 176.567,942 77.688,943 82.649,945 36.145,948 123.642,949 212.711,950 36.695,951 25.189,952 23.08,953 18.952,954 27.902,955 43.742,956 11.663,957 176.567,958 45.954,959 176.567,960 114.383,961 36.145,963 45.954,964 176.567,965 36.145,968 41.764,969 72.619,971 45.954,972 176.567,973 72.84,974 123.642,977 176.567,978 33.546,979 46.041,980 63.965,981 52.93,982 176.567,983 72.84,984 123.642,986 0.587,987 0.375,988 0.208,989 0.115,990 18,991 9,992 0.051,993 2,994 2,995 1.333,996 3.153,997 171.307,998 0.333,999 12,1000 92.239,1005 14.606,1006 5.465,1007 2.192,1008 2.213,1009 70.941,1010 3.781,1015 3.794,1016 2.161,1017 18.011,1018 373.049,1019 30,1024 11.428,1027 4.384,1028 0.655,1031 37.374,1032 41.662,1034 0.329,1035 0.709,1036 0.843,1037 0.905,1038 0.905,1039 0.905,1040 4.705,1041 0.774,1042 5.673,1043 3.527,1044 4.234,1045 4.8,1046 2.441,1047 6.597,1048 4.113,1049 5.963,1050 0.511,1051 7.307,1052 1.853,1053 4.007,1054 4.89,1055 1.784,1056 7.727,1057 3.815,1058 7.326,1059 0.31,1060 9.042,1061 0.981,1062 5.932,1063 7.15,1064 3.546,1065 10.907,1066 5.716,1067 8.731,1068 0.08,1069 10.835,1070 0.459,1071 6.538,1072 8.08,1073 3.59,1074 12.88,1075 6.256,1076 10.169,1077 -0.342,1078 12.666,1079 0.136,1080 7.971,1081 9.87,1082 4.918,1083 15.613,1084 7.669,1085 11.633,1086 -0.778,1087 14.523,1088 -0.874,1089 8.936,1090 11.17,1091 5.289,1092 17.929,1093 8.583,1094 13.117,1095 -0.947,1096 16.4,1097 -1.908,1098 10.212,1099 12.807,1100 6.39,1101 20.525,1102 9.836,1103 3.446,1104 -1.318,1105 18.294,1106 -2.352,1107 11.33,1108 14.267,1109 6.93,1110 22.978,1111 10.912,1112 2.841,1113 12.74,1114 20.2,1115 -3.081,1116 12.561,1117 15.855,1118 7.902,1119 25.532,1120 12.116,1121 2.422,1122 9.682,1123 22.118,1124 4.831,1125 13.743,1126 17.38,1127 8.539,1128 28.038,1129 13.26,1130 2.211,1131 7.799,1132 24.044,1133 3.709,1134 14.965,1135 18.955,1136 9.436,1137 30.581,1138 14.452,1139 1.976,1140 6.895,1141 25.978,1142 3.144,1143 16.174,1144 20.508,1145 10.13,1146 33.109,1147 15.625,1148 1.491,1149 5.578,1150 27.918,1151 2.863,1152 17.398,1153 22.08,1154 10.981,1155 35.651,1156 16.816,1157 1.35,1158 4.551,1159 29.863,1160 2.626,1161 18.619,1162 23.644,1163 11.71,1164 38.187,1165 18.002,1166 3746,1167 6648,1168 14.74,1169 25.608,1170 34.831,1171 36.57,1172 38.199,1173 34.896,1174 34.824,1175 45.594,1176 7.077,1177 108.401,1178 32.461,1179 5.703,1180 5.7,1181 6.772,1182 5.466,1183 5.446,1184 7.831,1185 3.889,1186 20.428,1187 5.314,1188 12.334,1189 1.514,1190 1.59,1191 1.661,1192 1.517,1193 1.514,1194 1.982,1195 0.308,1196 4.713,1197 1.411,1198 4.187,1199 4.214,1200 6.881,1201 4.114,1202 7.435,1203 4.117,1204 3.703,1205 3.736,1206 4.119,1207 3.593,1208 4.96,1209 3.59,1210 3.533,1211 3.597,1212 3.607,1213 3.233,1214 4.644,1215 3.276,1216 3.331,1217 3.415,1218 3.442,1219 3.124,1220 4.392,1221 3.12,1222 3.235,1223 3.333,1224 3.155,1225 3.029,1226 4.155,1227 3.021,1228 2.972,1229 3.023,1230 3.04,1231 2.855,1232 3.933,1233 2.796,1234 2.904,1235 2.954,1236 2.766,1237 2.699,1238 3.834,1239 2.697,1240 2.732,1241 2.787,1242 2.66,1243 2.548,1244 3.675,1245 2.533,1246 0.211,1247 0.161,1248 0.314,1249 0.192,1250 0.15,1251 4.855,1252 0.21,1253 3.7,1254 0.095,1255 7.221,1256 0.554,1257 4.409,1258 0.144,1259 3.446,1260 4.831,1261 2.186,1262 12.74,1263 3.314,1264 1.935,1265 1.922,1266 1.981,1267 2.024,1268 1.232,1269 2.018,1270 1.639,1271 1.593,1272 1.78,1273 1.82,1274 1.032,1275 1.806,1276 1.537,1277 1.477,1278 1.757,1279 1.73,1280 0.928,1281 1.741,1282 1.405,1283 1.337,1284 1.69,1285 1.719,1286 0.682,1287 1.715,1288 1.23,1289 1.141,1290 1.573,1291 1.484,1292 0.616,1293 1.519,1294 1.036,1295 0.953,1296 1.338,1297 1.252,1298 0.494,1299 1.279,1300 0.876,1301 0.833,1302 1.066,1303 1.195,1304 0.107,1305 1.178,1306 0.707,1307 0.668,1308 0.904,1309 0.872,1310 0.081,1311 0.897,1312 3.85,1314 5.209,1315 3.045,1316 6.774,1317 5.533,1318 8.441,1319 7.751,1320 10.168,1321 3.59,1322 5.416,1328 1.916,1329 2.456,1330 5.288,1340 24.207,1341 63.392,1342 136.644,1343 162.485,1344 174.485,1345 174.485,1346 174.485,1347 28.782,1348 7.028,1349 55.62,1350 55.62,1351 16,1352 12.701,1353 3.7,1354 3,1355 32.028,1356 59,1357 68,1358 0.284,1359 155.2,1360 263.2,1361 370.449,1362 8608,1363 2.7,1364 15.146,1365 0.721,1366 0.654,1367 16.146,1368 13.744,1369 10.079,1370 0.438,1371 0.327,1372 6.664,1373 9.122,1374 6.359,1375 5.29,1376 10.656,1377 7.527,1378 9.033,1379 0.266,1380 0.169,1381 9.7,1382 5.761,1383 8.329,1384 0.167,1385 0.094,1386 9.185,1387 4.718,1388 7.074,1389 0.1,1390 0.051,1391 7.871,1392 3.631,1393 5.728,1394 0.064,1395 0.028,1396 6.552,1397 2.533,1398 0.423,1399 71.976,1400 0.26,1401 20.18,1402 0.847,1403 114,1404 347.749,1405 191.814,1406 368.018,1407 497.51,1408 344,1409 141,1410 345.98,1411 194.118,1412 361.732,1413 539.14,1414 339,1415 6.745}
{0 CHEMBL156874,1 1.298,2 7.889,3 2.98,4 8.879,5 75.451,6 6.523,7 0.3,8 3.681,9 3.807,10 3.154,11 3.28,12 4.62,13 3.219,14 4.277,15 4.473,16 3.502,17 3.714,18 5.134,19 3.625,20 4.555,21 4.782,22 3.505,23 3.853,24 5.42,25 3.713,26 4.631,27 4.912,28 3.258,29 3.741,30 5.437,31 3.551,32 4.402,33 4.689,34 3.114,35 3.509,36 5.211,37 3.341,38 4.2,39 4.441,40 3.013,41 3.38,42 5.098,43 3.233,44 4.107,45 4.364,46 2.885,47 3.264,48 4.984,49 3.107,50 3.905,51 4.159,52 2.597,53 3.106,54 4.693,55 2.91,56 0.032,57 0.503,58 8.539,59 3.785,60 4.417,61 5.25,62 0.109,63 0.879,64 16.07,65 6.405,66 9.445,67 9.126,68 0.124,69 1.084,70 21.321,71 8.85,72 17.695,73 12.452,74 0.181,75 1.08,76 23.463,77 9.363,78 32.056,79 13.204,80 0.15,81 0.852,82 18.696,83 7.326,84 23.084,85 10.343,86 0.14,87 0.711,88 15.269,89 5.913,90 21.5,91 8.18,92 0.186,93 0.66,94 13.993,95 5.151,96 21.834,97 7.349,98 0.053,99 0.551,100 11.001,101 4.594,102 10.667,103 6.591,104 5,105 28,106 0.238,107 0.573,108 0.772,109 0.812,110 0.822,111 0.822,112 2.961,113 1.014,114 -4.21,115 -4.15,116 -3.92,121 43.2,123 3,124 1,126 1,127 2,137 1,138 1,144 4,145 2,159 1,176 12,180 4,187 15,192 5,200 12,206 4,214 9,219 4,227 8,232 1,239 6,243 1,244 2,251 4,256 2,269 2,281 348,282 12.223,283 12.223,284 12.223,285 12.223,286 12.223,287 11.211,288 15.865,289 7.211,290 12.315,291 9.872,292 9.872,293 9.872,294 9.872,295 9.872,296 8.256,297 21.843,298 3.453,299 9.986,300 3.911,301 2.079,302 0.993,303 0.777,304 0.723,305 0.723,306 3.64,310 1,311 1,312 1,313 310,314 2,317 33.936,318 97.636,321 66.87,325 1.136,326 12.24,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 37.5,338 142,339 4.503,340 3.705,341 6.686,342 4.186,343 3.172,344 4.077,345 0.8,346 10.754,347 3.214,348 3.803,349 2.873,350 5.632,351 3.599,352 2.622,353 3.145,354 0.68,355 7.588,356 2.57,357 3.493,358 2.683,359 5.302,360 3.212,361 2.24,362 2.57,364 6.506,365 2.184,366 3.168,367 2.505,368 4.911,369 2.948,370 1.965,371 2.26,373 5.602,374 1.912,375 2.943,376 2.021,377 4.732,378 2.674,379 1.669,380 2.065,382 4.925,383 1.673,384 2.792,385 1.425,386 3.631,387 2.355,388 1.356,389 1.848,391 2.97,392 1.355,393 2.369,394 1.308,395 3.446,396 1.984,397 1,398 1.154,400 2.275,401 0.983,402 2,403 1.077,404 3.414,405 1.821,406 0.779,407 1,409 1.885,410 0.806,411 1.407,412 0.495,413 2.94,414 1.181,415 0.191,416 0.209,418 0.469,419 0.188,420 0.974,421 0.221,422 2.305,423 0.712,424 -0.305,425 -0.379,427 -0.704,428 -0.306,429 0.679,430 -0.374,431 2,432 0.29,433 -0.727,434 -0.898,436 -1.797,437 -0.735,438 0.516,439 -0.747,440 2,441 0.129,442 -0.865,443 -1,445 -2.147,446 -0.858,447 0.129,448 -0.784,449 2,450 -0.049,451 -1,452 -1.138,454 -3,455 -0.946,457 -0.915,458 1.683,459 -0.171,460 -1.176,461 -1.424,463 -3.049,464 -1.16,465 -0.196,466 -1.136,467 1.268,468 -0.422,469 -1.399,470 -1.617,472 -3.585,473 -1.384,474 8.733,475 0.485,476 0.435,477 0.024,478 20,479 1.111,480 9,481 0.5,482 11,483 0.611,484 14.686,485 0.816,486 19.467,487 0.526,488 11.785,489 0.655,490 3.741,491 0.208,492 4.996,493 0.278,494 0.095,496 0.332,501 0.614,502 1.246,503 0.891,504 1.095,505 0.506,506 1.027,507 0.933,508 0.94,509 0.982,510 0.92,511 0.542,512 0.933,513 0.812,514 1.116,515 1.065,516 1.162,517 0.715,518 1.135,519 1.047,520 0.941,521 0.976,522 0.982,523 1.166,524 0.98,525 1.089,526 0.831,527 0.848,528 0.85,529 1.226,530 0.836,531 1.607,532 1.063,533 1.123,534 1.049,535 1.897,536 1.056,537 1.359,538 0.966,539 1.106,540 0.945,541 1.517,542 0.999,543 0.504,544 1.359,545 1.141,546 1.344,547 0.462,548 1.305,549 3.5,550 0.02,551 2,552 1.514,553 0.764,554 0.476,555 0.278,556 0.124,557 0.11,558 0.047,559 2891,560 5712,561 2.12,562 51.4,563 3,564 12,569 4,572 1.585,573 2,574 2.993,575 -0.873,577 1,579 1,582 48.039,583 1.298,584 3.131,585 4.216,586 4.432,587 4.486,588 4.486,589 2.441,590 3.948,591 4.143,592 3.083,593 471.689,594 7.02,595 4380.43,596 1,597 1,599 1,600 192.75,601 1.352,602 4.109,603 0.175,604 0.01,605 0.071,606 0.058,607 0.04,608 0.028,609 0.019,610 0.01,611 0.012,612 0.012,613 0.435,614 1,615 1,616 0.584,617 75.968,618 0.03,619 -0.094,620 0.065,621 -0.006,622 0.006,623 0.024,624 -0.092,625 0.18,626 -0.006,627 0.089,628 0.017,629 0.061,630 -0.011,631 -0.105,632 -0.108,633 -0.158,634 0.058,635 -0.14,636 -0.028,637 -0.029,638 -0.006,639 -0.018,640 -0.016,641 -0.012,642 0.011,643 0.079,644 0.133,645 0.107,646 0.001,647 0.127,648 -0.14,649 -0.115,650 -0.117,651 -0.078,652 -0.2,653 -0.097,654 0.016,655 0.016,656 -0.1,657 -0.002,658 -0.132,659 -0.057,660 0.032,661 -0.395,662 -0.21,663 -0.356,664 0.023,665 -0.314,666 1.412,667 5.256,668 0.833,669 11.222,670 0.983,671 1.12,672 2.978,673 8.866,674 0.657,675 3.045,676 3.367,677 3.638,678 3.892,679 4.094,680 4.043,681 4.143,682 4.234,683 4.127,684 4.127,685 4.695,686 0.607,687 241.36,688 3.045,689 4.575,690 5.425,691 6.301,692 7.171,693 8.052,694 8.931,695 9.815,696 10.698,697 11.585,698 2.7,701 1,715 4,720 2,722 6,727 1,741 37,743 8,744 1,745 20,747 39,748 16,749 6,750 2,751 4,752 3,756 3,757 4,767 3,768 1,770 3,772 9,773 7,774 1,777 2,782 1,784 1,786 2,790 1,793 19,794 2,796 2,802 1,808 0.667,809 1,828 1,829 2,832 1,849 1,850 1,855 1,859 2,864 1,868 18,876 5,880 1,881 1,893 2.7,896 1,901 9,902 6.867,903 3.917,904 2.407,907 1.823,908 1.28,909 0.984,910 3.047,911 8.331,912 3.258,913 3.773,914 4.301,915 4.786,916 5.251,917 5.385,918 5.697,919 5.957,920 5.983,921 6.11,922 1,923 26,924 6.717,926 2.879,927 0.026,929 7.528,931 13.375,933 11.515,936 2.028,937 36.5,938 0.004,941 223.651,942 82.283,943 3.124,945 25.145,948 82.283,949 248.796,950 3.124,951 8.396,952 11.815,953 47.381,954 30.278,955 12.681,957 223.651,959 223.651,960 85.407,961 25.145,964 176.567,965 72.229,968 14.939,969 60.992,970 9.476,972 223.651,973 28.269,974 82.283,977 223.651,978 26.505,979 58.902,981 25.145,982 223.651,983 28.269,984 82.283,986 0.584,987 0.341,988 0.182,989 0.102,990 15,991 6,992 0.026,993 1,994 1,995 1.133,996 3.107,997 130.296,998 0.133,999 15,1000 71.059,1005 11.675,1006 4.698,1007 2.286,1009 28.269,1010 7.996,1015 2.11,1018 334.203,1019 25,1024 12.256,1026 2.245,1028 1.273,1031 36.382,1032 41.445,1034 0.249,1035 0.601,1036 0.809,1037 0.851,1038 0.861,1039 0.861,1040 4.505,1041 0.779,1042 5.407,1043 2.275,1044 4.043,1045 4.454,1046 1.059,1047 6.209,1048 4.03,1049 5.678,1050 0.191,1051 6.959,1052 1.885,1053 3.611,1054 4.159,1055 0.325,1056 7.076,1057 3.599,1058 6.967,1059 -0.305,1060 8.612,1061 0.469,1062 5.624,1063 6.514,1064 0.636,1065 10.188,1066 5.61,1067 8.292,1068 -0.727,1069 10.323,1070 -0.704,1071 6.019,1072 7.067,1073 0.268,1074 11.925,1075 6.027,1076 9.653,1077 -0.865,1078 12.074,1079 -1.797,1080 7.507,1081 8.909,1082 0.384,1083 14.556,1084 7.513,1085 11.042,1086 -1,1087 13.854,1088 -2.147,1089 8.299,1090 9.881,1091 0.188,1092 16.668,1093 8.337,1094 12.452,1095 -1.176,1096 15.655,1097 -3,1098 9.574,1099 11.498,1100 0.232,1101 19.134,1102 9.614,1103 3.172,1104 -1.399,1105 17.474,1106 -3.049,1107 10.557,1108 12.682,1109 0.125,1110 21.402,1111 10.628,1112 2.622,1113 10.754,1114 19.308,1115 -3.585,1116 11.746,1117 14.192,1118 0.14,1119 23.81,1120 11.827,1121 2.24,1122 7.588,1123 21.153,1124 4.077,1125 12.819,1126 15.482,1127 0.082,1128 26.142,1129 12.925,1130 1.965,1131 6.506,1132 23.008,1133 3.145,1134 13.978,1135 16.94,1136 0.085,1137 28.529,1138 14.096,1139 1.669,1140 5.602,1141 24.871,1142 2.57,1143 15.091,1144 18.285,1145 0.054,1146 30.886,1147 15.232,1148 1.356,1149 4.925,1150 26.74,1151 2.26,1152 16.24,1153 19.717,1154 0.052,1155 33.265,1156 16.396,1157 1,1158 2.97,1159 28.615,1160 2.065,1161 17.373,1162 21.09,1163 0.035,1164 35.633,1165 17.547,1166 2804,1167 4015,1168 13.523,1169 24.313,1170 30.458,1171 31.106,1172 30.988,1173 30.01,1174 29.987,1175 36.656,1176 2.96,1177 85.947,1178 29.771,1179 5.503,1180 5.705,1181 6.367,1182 5.221,1183 5.172,1184 7.077,1185 1.48,1186 17.795,1187 5.214,1188 7.062,1189 1.523,1190 1.555,1191 1.549,1192 1.501,1193 1.499,1194 1.833,1195 0.148,1196 4.297,1197 1.489,1198 4.045,1199 4.067,1200 3.992,1201 3.985,1202 7.427,1203 3.984,1204 3.843,1205 3.902,1206 3.725,1207 3.719,1208 4.728,1209 3.712,1210 3.496,1211 3.543,1212 3.4,1213 3.375,1214 4.403,1215 3.374,1216 3.215,1217 3.297,1218 3.046,1219 3.014,1220 4.137,1221 3.008,1222 3.111,1223 3.206,1224 2.866,1225 2.941,1226 3.752,1227 2.91,1228 2.987,1229 3.028,1230 2.865,1231 2.845,1232 3.628,1233 2.842,1234 2.809,1235 2.902,1236 2.588,1237 2.646,1238 3.474,1239 2.62,1240 2.572,1241 2.629,1242 2.413,1243 2.306,1244 3.415,1245 2.322,1246 0.225,1247 0.185,1248 0.334,1249 0.209,1250 0.159,1251 4.503,1252 0.204,1253 3.705,1254 0.04,1255 6.686,1256 0.538,1257 4.186,1258 0.161,1259 3.172,1260 4.077,1261 0.8,1262 10.754,1263 3.214,1264 1.892,1265 1.869,1266 2.07,1267 2.034,1268 1.43,1269 2.05,1270 1.877,1271 1.829,1272 2,1273 1.961,1274 1.151,1275 1.975,1276 1.556,1277 1.514,1278 1.732,1279 1.718,1280 0.926,1281 1.723,1282 1.209,1283 1.119,1284 1.55,1285 1.454,1286 0.825,1287 1.489,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.706,1293 1.429,1294 1.035,1295 1,1296 1.259,1297 1.215,1298 0.426,1299 1.222,1300 0.859,1301 0.785,1302 1.167,1303 1.076,1304 0.276,1305 1.119,1306 0.691,1307 0.595,1308 1.053,1309 0.939,1310 0.152,1311 0.984,1312 3.714,1314 5.03,1315 2.398,1316 6.544,1317 4.844,1318 8.141,1319 7.018,1320 9.781,1322 2.167,1328 5.5,1332 0.592,1333 2.361,1340 22.477,1341 48.039,1342 115.837,1343 155.995,1344 163.995,1345 165.995,1346 165.995,1347 25.25,1348 6.507,1349 20.31,1350 20.31,1351 17,1352 12.117,1353 3.17,1354 2.585,1355 25.807,1356 50,1357 52,1358 0.259,1359 138.221,1360 243.97,1361 329.02,1362 5004,1364 12.535,1365 0.696,1366 0.603,1367 12.535,1368 10.855,1369 8.737,1370 0.437,1371 0.338,1372 6.707,1373 8.56,1374 6.5,1375 5.386,1376 8.737,1377 6.757,1378 7.925,1379 0.283,1380 0.196,1381 7.925,1382 5.496,1383 6.764,1384 0.183,1385 0.112,1386 6.764,1387 4.135,1388 5.478,1389 0.114,1390 0.062,1391 5.478,1392 2.969,1393 4.565,1394 0.077,1395 0.038,1396 4.565,1397 2.213,1398 0.396,1399 53.697,1400 0.272,1401 18.007,1402 0.734,1403 96,1404 215.381,1405 99.852,1406 213.143,1407 292.25,1408 200,1409 113,1410 210.397,1411 117.49,1412 218.501,1413 319.36,1414 205,1415 8.076}
{0 CHEMBL156931,1 1.565,2 8.3,3 2.71,4 7.345,5 77.246,6 7.334,7 0.455,8 3.72,9 3.84,10 3.281,11 3.222,12 4.815,13 3.213,14 4.264,15 4.456,16 3.66,17 3.618,18 5.361,19 3.593,20 4.379,21 4.553,22 3.699,23 3.729,24 5.421,25 3.689,26 4.45,27 4.622,28 3.616,29 3.75,30 5.518,31 3.686,32 4.508,33 4.736,34 3.418,35 3.691,36 5.462,37 3.565,38 4.455,39 4.739,40 3.186,41 3.463,42 5.317,43 3.317,44 4.146,45 4.411,46 3.002,47 3.157,48 5.105,49 3.041,50 3.881,51 4.128,52 2.8,53 2.902,54 4.934,55 2.813,56 0.022,57 0.554,58 7.75,59 3.228,60 4.639,61 4.334,62 0.346,63 0.873,64 15.331,65 5.167,66 28.417,67 7.371,68 0.183,69 0.965,70 16.822,71 6.39,72 17.556,73 8.575,74 0.241,75 1.014,76 18.231,77 6.519,78 26.945,79 8.742,80 0.233,81 1.005,82 20.22,83 7.307,84 26.862,85 10.42,86 0.223,87 0.852,88 20.854,89 6.906,90 27.862,91 10.193,92 0.322,93 0.617,94 15.415,95 4.882,96 24.75,97 7.01,98 0.125,99 0.496,100 11.297,101 3.427,102 18.195,103 5.027,104 23,105 32,106 0.283,107 0.642,108 0.782,109 0.854,110 0.854,111 0.854,112 3.059,113 0.903,114 -2.52,115 -2.55,116 -2.49,121 40.5,123 2,126 3,144 3,145 2,146 1,154 2,159 1,161 1,176 5,179 1,180 6,183 2,187 5,191 1,192 8,200 5,206 4,211 2,214 3,218 1,219 5,224 2,227 2,232 3,237 1,239 1,243 2,244 1,247 1,249 1,256 1,261 1,268 1,272 1,281 448,282 13.602,283 13.602,284 13.602,285 13.602,286 13.602,287 11.86,288 17.064,289 7.74,290 13.97,291 10.704,292 10.704,293 10.704,294 10.704,295 10.704,296 8.12,297 18.73,298 3.491,299 11.197,300 3.644,301 1.665,302 0.892,303 0.494,304 0.494,305 0.494,306 3.734,310 1,311 1,312 1,313 352,314 3.082,317 66.714,318 40.156,320 54.544,321 59.315,324 83.117,325 1.33,326 15.187,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 43.5,338 166,339 4.804,340 3.663,341 7.126,342 4.369,343 3.398,344 4.756,345 2.186,346 12.385,347 3.3,348 4.046,349 3.535,350 6.095,351 3.637,352 2.679,353 3.537,354 0.986,355 8.731,356 2.569,357 3.763,358 2.89,359 5.617,360 3.365,361 2.421,362 3.079,363 0.366,364 7.271,365 2.258,366 3.474,367 2.541,368 5.418,369 3.062,370 2.104,371 2.798,373 6.784,374 2.006,375 3.378,376 2.285,377 4.85,378 2.936,379 1.96,380 2.61,382 5.279,383 1.899,384 2.947,385 1.778,386 4.682,387 2.445,388 1.491,389 2.06,391 4.497,392 1.417,393 2.461,394 1.245,395 3.859,396 2.087,397 1.095,398 1.44,400 2.785,401 1.085,402 1.915,403 1.106,404 3.499,405 1.71,406 0.734,407 0.839,409 1.781,410 0.714,411 1.517,412 0.915,413 2.918,414 1.315,415 0.401,416 0.427,418 0.611,419 0.362,420 1.432,421 0.773,422 2.78,423 1.243,424 0.308,425 0.325,427 0.458,428 0.286,429 1.204,430 0.594,431 2.509,432 0.796,433 -0.174,434 -0.222,436 -0.389,437 -0.165,438 0.772,439 -0.212,440 2.284,441 0.379,442 -0.595,443 -0.756,445 -1.504,446 -0.574,447 0.579,448 -0.451,449 2.163,450 0.11,451 -0.875,452 -1.173,454 -2.221,455 -0.846,456 0.332,457 -0.649,458 2,459 -0.041,460 -1,461 -1.313,463 -2.775,464 -0.96,465 -0.068,466 -0.903,467 1.852,468 -0.393,469 -1.365,470 -1.689,472 -3.084,473 -1.321,474 9.367,475 0.468,476 0.521,477 0.026,478 25,479 1.25,480 11.5,481 0.575,482 13.5,483 0.675,484 14.936,485 0.747,486 21.833,487 0.59,488 17.25,489 0.863,490 5.134,491 0.257,492 4.517,493 0.226,494 0.196,496 0.416,501 0.799,502 1.469,503 0.779,504 1.184,505 0.593,506 1.005,507 0.689,508 0.807,509 0.721,510 0.687,511 0.454,512 0.686,513 1.041,514 1.091,515 0.909,516 1.025,517 0.805,518 0.961,519 1.359,520 1.19,521 1.273,522 1.177,523 1.195,524 1.207,525 0.8,526 1.147,527 1.154,528 1.265,529 0.881,530 1.267,531 0.813,532 0.987,533 0.864,534 1.014,535 0.753,536 0.963,537 0.99,538 0.798,539 0.9,540 0.872,541 0.946,542 0.889,543 1.171,544 1.272,545 1.026,546 1.187,547 1.602,548 1.097,549 4,550 0.017,551 2.444,552 2.201,553 1.268,554 0.608,555 0.39,556 0.306,557 0.168,558 0.065,559 3385,560 9120,561 2.048,562 45.9,563 2,564 12,567 1,568 2,572 1.62,573 1.875,574 3.017,575 -0.271,577 1,579 1,582 57.905,583 1.565,584 3.544,585 4.317,586 4.716,587 4.716,588 4.716,589 2.546,590 4.022,591 4.287,592 3.124,593 593.603,594 7.341,595 5828.6,596 1,597 1,598 1,599 1,600 192.75,601 1.522,602 4.231,603 0.182,604 0.006,605 0.076,606 0.067,607 0.044,608 0.028,609 0.023,610 0.022,611 0.015,612 0.011,613 0.473,614 0.83,615 1,616 1.445,617 87.015,618 -0.037,619 -0.26,620 0.064,621 -0.11,622 -0.04,623 -0.022,624 0.248,625 0.315,626 0.213,627 0.3,628 0.212,629 0.268,630 -0.079,631 -0.016,632 0.007,633 0.009,634 -0.03,635 0.018,636 -0.278,637 -0.108,638 -0.35,639 -0.17,640 -0.163,641 -0.257,642 -0.02,643 -0.158,644 -0.222,645 -0.267,646 -0.058,647 -0.275,648 0.031,649 -0.138,650 0.137,651 -0.045,652 0.02,653 0.048,654 0.161,655 0.065,656 0.134,657 0.075,658 0.035,659 0.085,660 -0.068,661 -0.35,662 -0.016,663 -0.255,664 -0.049,665 -0.145,666 2.118,667 4.297,668 0.6,669 15.08,670 1.004,671 1.13,672 1.294,673 1.676,674 0.656,675 3.135,676 3.497,677 3.85,678 4.19,679 4.407,680 4.564,681 4.736,682 4.82,683 4.754,684 4.673,685 4.796,686 0.627,687 271.35,688 3.135,689 4.691,690 5.58,691 6.497,692 7.412,693 8.341,694 9.267,695 10.202,696 11.134,697 12.073,698 8.1,705 1,706 1,707 1,714 2,715 3,720 3,721 1,722 10,725 1,737 1,741 37,743 12,744 1,745 22,747 39,748 15,749 8,750 3,751 3,752 1,756 3,757 6,767 2,770 2,772 10,773 5,777 2,782 1,785 1,786 2,789 1,790 1,793 17,794 4,795 1,796 5,802 3,808 0.333,809 2,824 1,828 2,829 1,831 1,832 1,835 1,859 1,864 3,868 20,876 2,877 1,878 1,893 5.4,896 1,898 1,901 10.667,902 7.733,903 4.5,904 2.182,907 2.399,908 1.346,909 0.989,910 3.262,911 9.329,912 3.401,913 4.065,914 4.726,915 5.405,916 5.968,917 6.413,918 6.873,919 7.253,920 7.359,921 7.451,922 0.833,923 33,924 7.366,926 3.085,927 0.026,929 7.733,931 14.127,933 11.531,936 2.233,937 44.667,938 0.001,941 188.338,942 84.109,943 36.695,945 36.145,948 84.109,949 224.482,950 36.695,951 25.189,952 23.08,953 28.429,954 27.902,955 40.686,956 11.663,957 188.338,959 188.338,960 120.804,961 36.145,964 188.338,965 36.145,968 41.764,969 79.04,972 188.338,973 72.84,974 84.109,977 188.338,978 30.491,979 55.517,980 18.011,981 52.93,982 188.338,983 72.84,984 84.109,986 0.583,987 0.364,988 0.202,989 0.109,990 17,991 8,992 0.051,993 2,994 2,995 1.333,996 3.142,997 157.136,998 0.333,999 12,1000 86.439,1005 13.191,1006 4.946,1007 2.04,1008 2.28,1009 70.941,1010 5.733,1015 3.067,1016 2.17,1017 18.011,1018 345.287,1019 29,1024 11.297,1027 4.369,1028 0.695,1031 37.145,1032 41.82,1034 0.3,1035 0.68,1036 0.829,1037 0.905,1038 0.905,1039 0.905,1040 4.659,1041 0.734,1042 5.595,1043 2.785,1044 4.174,1045 4.749,1046 2.441,1047 6.491,1048 4.093,1049 5.905,1050 0.401,1051 7.207,1052 1.781,1053 3.892,1054 4.783,1055 1.784,1056 7.564,1057 3.774,1058 7.256,1059 0.308,1060 8.92,1061 0.611,1062 5.844,1063 7.073,1064 3.546,1065 10.728,1066 5.69,1067 8.648,1068 -0.174,1069 10.692,1070 0.458,1071 6.399,1072 7.952,1073 3.59,1074 12.665,1075 6.214,1076 10.074,1077 -0.595,1078 12.504,1079 -0.389,1080 7.846,1081 9.759,1082 4.918,1083 15.379,1084 7.634,1085 11.525,1086 -0.875,1087 14.343,1088 -1.504,1089 8.777,1090 11.024,1091 5.289,1092 17.673,1093 8.538,1094 12.997,1095 -1,1096 16.205,1097 -2.221,1098 10.055,1099 12.665,1100 6.39,1101 20.248,1102 9.792,1103 3.398,1104 -1.365,1105 18.084,1106 -2.775,1107 11.152,1108 14.101,1109 6.93,1110 22.682,1111 10.863,1112 2.679,1113 12.385,1114 19.978,1115 -3.084,1116 12.379,1117 15.684,1118 7.902,1119 25.214,1120 12.066,1121 2.421,1122 8.731,1123 21.884,1124 4.756,1125 13.546,1126 17.192,1127 8.539,1128 27.699,1129 13.206,1130 2.104,1131 7.271,1132 23.8,1133 3.537,1134 14.761,1135 18.757,1136 9.436,1137 30.22,1138 14.396,1139 1.96,1140 6.784,1141 25.725,1142 3.079,1143 15.957,1144 20.295,1145 10.13,1146 32.724,1147 15.565,1148 1.491,1149 5.279,1150 27.656,1151 2.798,1152 17.172,1153 21.854,1154 10.981,1155 35.241,1156 16.753,1157 1.095,1158 4.497,1159 29.592,1160 2.61,1161 18.382,1162 23.404,1163 11.71,1164 37.752,1165 17.936,1166 3428,1167 5713,1168 14.334,1169 24.256,1170 33.109,1171 34.673,1172 35.764,1173 33.151,1174 33.184,1175 43.744,1176 7.077,1177 101.164,1178 31.795,1179 5.651,1180 5.663,1181 6.677,1182 5.426,1183 5.398,1184 7.756,1185 3.889,1186 19.905,1187 5.3,1188 10.904,1189 1.505,1190 1.576,1191 1.626,1192 1.507,1193 1.508,1194 1.988,1195 0.322,1196 4.598,1197 1.445,1198 4.185,1199 4.215,1200 4.154,1201 4.099,1202 7.435,1203 4.109,1204 3.701,1205 3.737,1206 3.637,1207 3.575,1208 4.966,1209 3.58,1210 3.533,1211 3.597,1212 3.444,1213 3.231,1214 4.645,1215 3.275,1216 3.329,1217 3.417,1218 3.183,1219 3.101,1220 4.392,1221 3.108,1222 3.235,1223 3.333,1224 3.05,1225 3.022,1226 4.152,1227 3.017,1228 2.972,1229 3.023,1230 2.766,1231 2.774,1232 3.922,1233 2.753,1234 2.895,1235 2.96,1236 2.725,1237 2.687,1238 3.827,1239 2.694,1240 2.721,1241 2.795,1242 2.518,1243 2.5,1244 3.568,1245 2.502,1246 0.218,1247 0.167,1248 0.324,1249 0.199,1250 0.154,1251 4.804,1252 0.216,1253 3.663,1254 0.099,1255 7.126,1256 0.563,1257 4.369,1258 0.15,1259 3.398,1260 4.756,1261 2.186,1262 12.385,1263 3.3,1264 1.938,1265 1.919,1266 2.021,1267 2.039,1268 1.224,1269 2.033,1270 1.64,1271 1.592,1272 1.786,1273 1.827,1274 1.03,1275 1.812,1276 1.537,1277 1.477,1278 1.763,1279 1.732,1280 0.928,1281 1.741,1282 1.405,1283 1.337,1284 1.69,1285 1.719,1286 0.682,1287 1.716,1288 1.231,1289 1.14,1290 1.578,1291 1.487,1292 0.617,1293 1.522,1294 1.036,1295 0.952,1296 1.344,1297 1.253,1298 0.494,1299 1.281,1300 0.88,1301 0.831,1302 1.095,1303 1.198,1304 0.148,1305 1.18,1306 0.723,1307 0.656,1308 1.012,1309 0.927,1310 0.107,1311 0.967,1312 3.807,1314 5.153,1315 3.045,1316 6.701,1317 5.533,1318 8.346,1319 7.743,1320 10.052,1322 5.435,1328 1.967,1329 2.45,1330 5.204,1340 23.181,1341 57.905,1342 131.134,1343 159.73,1344 174.485,1345 174.485,1346 174.485,1347 24.747,1348 6.93,1349 55.62,1350 55.62,1351 16,1352 12.571,1353 3.7,1354 3,1355 29.915,1356 57,1357 64,1358 0.274,1359 143.286,1360 243.92,1361 341.379,1362 7753,1364 14.276,1365 0.714,1366 0.593,1367 14.276,1368 11.857,1369 9.651,1370 0.439,1371 0.301,1372 6.504,1373 9.195,1374 6.249,1375 5.221,1376 9.651,1377 6.623,1378 8.602,1379 0.269,1380 0.152,1381 8.602,1382 4.875,1383 7.763,1384 0.169,1385 0.084,1386 7.763,1387 3.845,1388 6.636,1389 0.102,1390 0.045,1391 6.636,1392 2.922,1393 5.278,1394 0.065,1395 0.024,1396 5.278,1397 1.967,1398 0.413,1399 61.04,1400 0.264,1401 19.487,1402 0.802,1403 108,1404 321.094,1405 119.943,1406 306.059,1407 424.86,1408 288,1409 132,1410 320.247,1411 143.338,1412 323.154,1413 477.76,1414 303,1415 5.474}
{0 CHEMBL157017,1 1.32,2 7.059,3 2.718,4 7.388,5 70.583,6 6.686,7 0.316,8 3.606,9 3.728,10 3.103,11 3.211,12 4.564,13 3.156,14 4.195,15 4.389,16 3.458,17 3.641,18 5.074,19 3.562,20 4.431,21 4.64,22 3.486,23 3.778,24 5.327,25 3.658,26 4.53,27 4.783,28 3.297,29 3.707,30 5.394,31 3.541,32 4.434,33 4.723,34 3.084,35 3.473,36 5.299,37 3.305,38 4.02,39 4.253,40 2.88,41 3.213,42 4.974,43 3.076,44 3.869,45 4.113,46 2.596,47 3.093,48 4.674,49 2.902,50 3.865,51 4.203,52 2.02,53 2.727,54 4.564,55 2.464,56 0.027,57 0.462,58 7.664,59 3.427,60 3.812,61 4.713,62 0.104,63 0.81,64 14.58,65 5.772,66 8.804,67 8.168,68 0.107,69 0.972,70 18.6,71 7.783,72 13.225,73 10.826,74 0.147,75 0.996,76 21.109,77 8.655,78 25.048,79 12.006,80 0.194,81 0.865,82 19.798,83 7.423,84 31.631,85 10.356,86 0.191,87 0.611,88 12.859,89 4.661,90 23.537,91 6.5,92 0.047,93 0.537,94 10.554,95 4.46,96 10.293,97 6.359,98 0.118,99 0.489,100 11.295,101 3.921,102 18.566,103 5.783,104 5,105 27,106 0.246,107 0.576,108 0.748,109 0.792,110 0.803,111 0.803,112 2.91,113 0.991,114 -3.96,115 -3.91,116 -3.71,121 44.1,123 3,126 1,127 2,138 2,144 4,145 2,159 1,176 11,180 4,187 14,192 5,200 11,206 5,214 9,219 2,227 6,231 1,232 2,239 4,244 2,256 2,281 290,282 11.569,283 11.569,284 11.569,285 11.569,286 11.569,287 10.479,288 14.47,289 6.772,290 11.66,291 9.366,292 9.366,293 9.366,294 9.366,295 9.366,296 7.627,297 20.376,298 3.216,299 9.481,300 3.767,301 2.003,302 1.081,303 0.846,304 0.787,305 0.787,306 3.586,311 1,312 1,313 262,314 1.732,317 30.032,318 86.237,321 59.572,325 1.017,326 11.766,328 1,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 35.5,338 120,339 4.565,340 3.744,341 6.795,342 4.238,343 3.225,344 4.133,345 0.8,346 11.139,347 3.264,348 3.972,349 3.003,350 5.991,351 3.616,352 2.632,353 3.42,354 0.68,355 8.431,356 2.595,357 3.387,358 2.682,359 5.136,360 3.191,361 2.244,362 2.504,363 0.68,364 6.144,365 2.123,366 3.178,367 2.54,368 4.941,369 2.849,370 1.83,371 2.257,373 5.373,374 1.851,375 2.902,376 1.823,377 4.428,378 2.523,379 1.527,380 2.057,382 4.078,383 1.519,384 2.563,385 1.335,386 3.609,387 2.21,388 1.21,389 1.539,391 2.861,392 1.209,393 2.064,394 1.274,395 3.414,396 1.984,397 1,398 1,400 2.275,401 0.983,402 2,403 1.208,404 3.374,405 1.734,406 0.704,407 0.918,409 1.713,410 0.721,411 1.203,412 0.295,413 2.653,414 0.877,415 -0.116,416 -0.131,418 -0.262,419 -0.114,420 0.793,421 -0.038,422 2.21,423 0.513,424 -0.52,425 -0.676,427 -1.199,428 -0.533,429 0.602,430 -0.456,431 2,432 0.178,433 -0.825,434 -1,436 -2.026,437 -0.828,438 0.232,439 -0.713,440 2,441 -0.049,442 -1,443 -1.119,445 -2.934,446 -0.946,448 -0.889,449 1.794,450 -0.118,451 -1.114,452 -1.338,454 -3,455 -1.093,456 -0.029,457 -1.044,458 1.529,459 -0.359,460 -1.332,461 -1.585,463 -3.351,464 -1.301,465 -0.448,466 -1.328,467 1.262,468 -0.614,469 -1.629,470 -2,472 -4.758,473 -1.679,474 8.233,475 0.484,476 0.418,477 0.025,478 19.5,479 1.147,480 9,481 0.529,482 10.5,483 0.618,484 13.353,485 0.785,486 18.167,487 0.534,488 11.393,489 0.67,490 3.771,491 0.222,492 4.483,493 0.264,494 0.101,496 0.352,501 0.605,502 1.231,503 0.858,504 1.069,505 0.492,506 0.998,507 0.93,508 0.873,509 0.927,510 0.846,511 0.542,512 0.862,513 0.842,514 1.105,515 1.058,516 1.154,517 0.754,518 1.125,519 1.009,520 1.055,521 1.022,522 1.106,523 1.163,524 1.078,525 1.436,526 0.819,527 0.888,528 0.81,529 1.681,530 0.811,531 1.644,532 0.991,533 1.212,534 0.971,535 1.864,536 1.046,537 0.491,538 1.398,539 1.178,540 1.395,541 0.45,542 1.358,543 1.203,544 0.842,545 0.967,546 0.794,547 1.134,548 0.849,549 3,551 2.222,552 1.514,553 0.929,554 0.462,555 0.176,556 0.147,557 0.059,558 0.025,559 2326,560 4763,561 2.127,562 50,563 2,564 11,569 4,572 1.571,573 2,574 2.847,575 -0.865,577 1,578 1,579 1,582 44.884,583 1.32,584 3.084,585 4.006,586 4.242,587 4.301,588 4.301,589 2.257,590 3.617,591 4.06,592 2.908,593 395.517,594 6.87,595 3448.78,596 1,597 1,599 1,600 172.974,601 1.379,602 4.023,603 0.158,605 0.082,606 0.058,607 0.046,608 0.029,609 0.014,610 0.016,611 0.015,612 0.012,613 0.431,614 1,615 1,616 0.604,617 69.011,618 0.027,619 -0.101,620 0.066,621 -0.008,622 0.006,623 0.024,624 -0.093,625 0.239,626 0.033,627 0.145,628 0.009,629 0.115,630 -0.023,631 -0.088,632 -0.111,633 -0.152,634 0.033,635 -0.137,636 -0.008,637 -0.135,638 -0.056,639 -0.123,640 0.001,641 -0.099,642 -0.052,643 0.067,644 0.123,645 0.134,646 -0.082,647 0.14,648 -0.066,649 0.003,650 -0.195,651 -0.029,652 -0.211,653 -0.116,654 0.023,655 -0.437,656 -0.257,657 -0.407,658 0.015,659 -0.367,660 -0.092,661 0.049,662 0.036,663 0.099,664 -0.087,665 0.08,666 1.389,667 5.306,668 0.882,669 9.702,670 0.985,671 1.119,672 2.728,673 7.443,674 0.663,675 2.996,676 3.332,677 3.638,678 3.912,679 4.127,680 4.143,681 4.22,682 4.263,683 4.159,684 3.989,685 4.208,686 0.616,687 227.33,688 2.996,689 4.533,690 5.398,691 6.286,692 7.172,693 8.068,694 8.963,695 9.862,696 10.76,697 11.662,698 2.9,701 1,715 4,720 2,722 6,727 1,741 34,743 8,744 1,745 19,747 36,748 15,749 6,750 2,751 4,752 3,756 3,757 4,767 3,770 3,772 9,773 6,777 2,782 1,786 3,790 1,793 17,794 2,796 2,802 1,808 0.667,809 1,828 1,829 2,832 1,850 2,855 1,859 2,864 1,868 17,876 5,881 1,893 2.9,896 1,901 8.5,902 6.45,903 3.694,904 2.192,907 1.83,908 1.284,909 1.004,910 2.6,911 8.266,912 3.219,913 3.773,914 4.327,915 4.835,916 5.312,917 5.498,918 5.814,919 6.057,920 6.143,921 6.163,922 0.8,923 26,924 6.34,926 2.728,927 0.026,929 7.549,931 12.576,933 10.806,936 2.049,937 34.833,938 0.005,941 200.109,942 75.992,943 3.124,945 25.145,948 75.992,949 225.254,950 3.124,951 8.396,952 11.815,953 37.905,954 30.278,955 15.867,957 200.109,959 200.109,960 79.116,961 25.145,964 153.024,965 72.229,968 14.939,969 64.177,972 200.109,973 28.269,974 75.992,977 200.109,978 29.691,979 49.426,981 25.145,982 200.109,983 28.269,984 75.992,986 0.586,987 0.35,988 0.191,989 0.107,990 15,991 6,994 1,995 1.133,996 2.959,997 123.626,998 0.133,999 15,1000 65.487,1005 10.733,1006 4.119,1007 1.828,1009 28.269,1010 8.017,1015 2.132,1018 304.37,1019 24,1024 12.306,1028 2.753,1031 33.498,1032 38.029,1034 0.259,1035 0.606,1036 0.788,1037 0.834,1038 0.845,1039 0.845,1040 4.472,1041 0.704,1042 5.389,1043 2.275,1044 4.007,1045 4.454,1046 1.338,1047 6.225,1048 3.994,1049 5.664,1050 -0.116,1051 6.963,1052 1.713,1053 3.611,1054 4.248,1055 0.325,1056 7.177,1057 3.599,1058 6.976,1059 -0.52,1060 8.641,1061 -0.262,1062 5.617,1063 6.582,1064 0.84,1065 10.311,1066 5.603,1067 8.326,1068 -0.825,1069 10.38,1070 -1.199,1071 6.066,1072 7.217,1073 0.268,1074 12.129,1075 6.075,1076 9.714,1077 -1,1078 12.16,1079 -2.026,1080 7.548,1081 9.038,1082 0.51,1083 14.784,1084 7.555,1085 11.128,1086 -1.114,1087 13.969,1088 -2.934,1089 8.389,1090 10.063,1091 0.188,1092 16.948,1093 8.425,1094 12.563,1095 -1.332,1096 15.798,1097 -3,1098 9.665,1099 11.667,1100 0.302,1101 19.443,1102 9.706,1103 3.225,1104 -1.629,1105 17.644,1106 -3.351,1107 10.686,1108 12.882,1109 0.125,1110 21.748,1111 10.754,1112 2.632,1113 11.139,1114 19.501,1115 -4.758,1116 11.885,1117 14.386,1118 0.176,1119 24.186,1120 11.962,1121 2.244,1122 8.431,1123 21.369,1124 4.133,1125 12.985,1126 15.696,1127 0.082,1128 26.551,1129 13.086,1130 1.83,1131 6.144,1132 23.245,1133 3.42,1134 14.158,1135 17.153,1136 0.102,1137 28.969,1138 14.27,1139 1.527,1140 5.373,1141 25.127,1142 2.504,1143 15.295,1144 18.513,1145 0.054,1146 31.358,1147 15.426,1148 1.21,1149 4.078,1150 27.014,1151 2.257,1152 16.461,1153 19.947,1154 0.06,1155 33.77,1156 16.605,1157 1,1158 2.861,1159 28.906,1160 2.057,1161 17.613,1162 21.333,1163 0.035,1164 36.17,1165 17.774,1166 2276,1167 3321,1168 12.83,1169 22.551,1170 29.053,1171 29.895,1172 29.903,1173 28.772,1174 28.744,1175 35.657,1176 4.32,1177 84.031,1178 28.529,1179 5.565,1180 5.744,1181 6.476,1182 5.273,1183 5.225,1184 7.133,1185 1.48,1186 18.484,1187 5.264,1188 6.667,1189 1.529,1190 1.573,1191 1.574,1192 1.514,1193 1.513,1194 1.877,1195 0.227,1196 4.423,1197 1.502,1198 4.054,1199 4.076,1200 4.003,1201 3.994,1202 7.427,1203 3.993,1204 3.801,1205 3.859,1206 3.694,1207 3.683,1208 4.726,1209 3.679,1210 3.431,1211 3.482,1212 3.331,1213 3.281,1214 4.402,1215 3.285,1216 3.111,1217 3.206,1218 2.938,1219 2.941,1220 4.027,1221 2.91,1222 3.11,1223 3.195,1224 2.866,1225 2.913,1226 3.682,1227 2.9,1228 2.986,1229 3.028,1230 2.845,1231 2.845,1232 3.606,1233 2.841,1234 2.642,1235 2.741,1236 2.418,1237 2.471,1238 3.474,1239 2.445,1240 2.572,1241 2.629,1242 2.398,1243 2.305,1244 3.199,1245 2.321,1246 0.24,1247 0.197,1248 0.358,1249 0.223,1250 0.17,1251 4.565,1252 0.218,1253 3.744,1254 0.042,1255 6.795,1256 0.586,1257 4.238,1258 0.172,1259 3.225,1260 4.133,1261 0.8,1262 11.139,1263 3.264,1264 1.892,1265 1.869,1266 2.044,1267 2.019,1268 1.373,1269 2.031,1270 1.868,1271 1.826,1272 1.998,1273 1.961,1274 1.141,1275 1.975,1276 1.45,1277 1.396,1278 1.663,1279 1.645,1280 0.86,1281 1.65,1282 1.153,1283 1.064,1284 1.513,1285 1.376,1286 0.825,1287 1.429,1288 1.109,1289 1.015,1290 1.474,1291 1.354,1292 0.617,1293 1.398,1294 1.031,1295 0.999,1296 1.21,1297 1.214,1298 0.332,1299 1.212,1300 0.787,1301 0.715,1302 1.102,1303 0.982,1304 0.22,1305 1.028,1306 0.547,1307 0.439,1308 0.964,1309 0.855,1310 0.077,1311 0.9,1312 3.664,1314 4.99,1315 2.398,1316 6.524,1317 4.844,1318 8.144,1319 7.034,1320 9.809,1322 2.146,1328 5.149,1333 2.33,1340 20.951,1341 44.884,1342 104.868,1343 136.219,1344 144.219,1345 146.219,1346 146.219,1347 22.439,1348 6.436,1349 20.31,1350 20.31,1351 17,1352 12.183,1353 3.17,1354 2.585,1355 23.692,1356 42,1357 45,1358 0.288,1359 128.629,1360 226.67,1361 305.615,1362 4359,1364 11.828,1365 0.696,1366 0.6,1367 11.828,1368 10.2,1369 8.254,1370 0.434,1371 0.33,1372 6.225,1373 8.076,1374 6.024,1375 4.973,1376 8.254,1377 6.275,1378 7.487,1379 0.277,1380 0.187,1381 7.487,1382 5.048,1383 6.559,1384 0.177,1385 0.106,1386 6.559,1387 3.921,1388 5.439,1389 0.111,1390 0.057,1391 5.439,1392 2.805,1393 4.453,1394 0.073,1395 0.034,1396 4.453,1397 2.044,1398 0.429,1399 50.798,1400 0.279,1401 16.824,1402 0.855,1403 92,1404 213.381,1405 95.852,1406 210.695,1407 289.92,1408 198,1409 110,1410 209.397,1411 114.49,1412 217.172,1413 319.36,1414 204,1415 5.921}
{0 CHEMBL157182,1 1.713,2 8.286,3 3.375,4 11.387,5 82.051,6 8.265,7 0.435,8 3.728,9 3.839,10 3.383,11 3.255,12 4.844,13 3.246,14 4.273,15 4.455,16 3.797,17 3.663,18 5.401,19 3.638,20 4.397,21 4.551,22 3.916,23 3.786,24 5.519,25 3.749,26 4.466,27 4.62,28 3.84,29 3.809,30 5.576,31 3.747,32 4.527,33 4.733,34 3.835,35 3.775,36 5.63,37 3.665,38 4.481,39 4.736,40 3.519,41 3.578,42 5.435,43 3.431,44 4.181,45 4.406,46 3.315,47 3.278,48 5.263,49 3.156,50 3.9,51 4.125,52 2.985,53 2.982,54 5.013,55 2.886,56 0.054,57 0.544,58 6.634,59 3.208,60 5.201,61 4.044,62 0.382,63 0.858,64 15.033,65 5.311,66 29.293,67 7.102,68 0.319,69 0.94,70 18.134,71 6.656,72 24.902,73 8.268,74 0.354,75 0.986,76 18.799,77 6.755,78 29.692,79 8.318,80 0.393,81 0.975,82 22.521,83 7.768,84 39.453,85 10.322,86 0.368,87 0.822,88 27.378,89 7.902,90 37.635,91 10.579,92 0.463,93 0.585,94 22.225,95 5.65,96 35.708,97 7.266,98 0.203,99 0.485,100 13.692,101 3.895,102 23.534,103 5.113,104 32,105 34,106 0.31,107 0.669,108 0.795,109 0.854,110 0.854,111 0.854,112 3.105,113 0.927,114 -3.04,115 -3.04,116 -2.93,121 40.5,123 2,126 3,144 2,145 2,146 2,154 2,159 1,161 1,176 4,179 1,180 5,183 2,187 5,191 1,192 8,200 5,206 4,211 1,214 3,218 1,219 6,224 3,227 2,232 2,237 1,239 1,243 2,244 2,247 1,249 1,251 1,256 1,261 1,268 1,272 1,281 489,282 14.102,283 14.102,284 14.102,285 14.102,286 14.102,287 12.307,288 17.429,289 7.943,290 14.577,291 11.182,292 11.182,293 11.182,294 11.182,295 11.182,296 8.513,297 18.306,298 3.583,299 11.905,300 3.496,301 1.516,302 0.818,303 0.494,304 0.494,305 0.494,306 3.777,308 1,310 1,311 1,312 1,313 367,314 3.162,317 71.653,318 42.435,320 58.473,321 63.004,324 88.651,325 1.279,326 19.352,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 45.833,338 174,339 4.817,340 3.685,341 7.132,342 4.378,343 3.409,344 4.777,345 2.186,346 12.412,347 3.304,348 4.182,349 3.542,350 6.216,351 3.76,352 2.834,353 3.718,354 0.986,355 9.21,356 2.617,357 3.799,358 3.151,359 5.868,360 3.38,361 2.43,362 3.156,363 0.366,364 7.955,365 2.274,366 3.539,367 2.745,368 5.612,369 3.101,370 2.163,371 2.867,373 6.968,374 2.008,375 3.474,376 2.319,377 4.96,378 3.061,379 2.102,380 2.714,382 5.714,383 1.985,384 2.967,385 1.984,386 4.793,387 2.449,388 1.495,389 2.085,391 4.582,392 1.42,393 2.684,394 1.777,395 4.259,396 2.286,397 1.362,398 1.731,400 3.765,401 1.215,402 1.966,403 1.138,404 3.631,405 1.792,406 0.837,407 0.91,409 2.05,410 0.783,411 1.535,412 1.094,413 3.122,414 1.327,415 0.417,416 0.45,418 0.734,419 0.374,420 1.432,421 0.792,422 2.848,423 1.247,424 0.315,425 0.332,427 0.485,428 0.292,429 1.383,430 0.618,431 2.632,432 0.974,433 0.069,434 0.083,436 0.133,437 0.055,438 0.926,439 0.365,440 2.542,441 0.487,442 -0.454,443 -0.591,445 -1.183,446 -0.386,447 0.589,448 -0.375,449 2.17,450 0.128,451 -0.812,452 -0.971,454 -1.949,455 -0.678,456 0.389,457 -0.465,458 2,459 0.038,460 -0.893,461 -1.179,463 -2.394,464 -0.849,465 0.093,466 -0.681,467 2,468 -0.317,469 -1.203,470 -1.484,472 -3.03,473 -1.031,474 10.081,475 0.48,476 0.61,477 0.029,478 25.75,479 1.226,480 11.5,481 0.548,482 14.25,483 0.679,484 17.248,485 0.821,486 22.919,487 0.619,488 18.13,489 0.863,490 5.222,491 0.249,492 4.84,493 0.23,494 0.253,496 0.436,501 0.754,502 1.467,503 0.599,504 1.054,505 0.577,506 0.935,507 0.672,508 0.793,509 0.576,510 0.587,511 0.458,512 0.612,513 0.938,514 1.087,515 0.839,516 0.998,517 0.777,518 0.924,519 1.262,520 1.193,521 1.073,522 1.118,523 1.193,524 1.164,525 0.69,526 1.141,527 0.913,528 1.171,529 0.721,530 1.168,531 1.004,532 0.977,533 1.176,534 1.061,535 0.896,536 1.002,537 1.234,538 0.813,539 1.538,540 1.124,541 1.153,542 1.056,543 1.253,544 1.276,545 1.193,546 1.231,547 1.597,548 1.153,549 4.5,550 0.017,551 2.889,552 2.264,553 1.699,554 0.823,555 0.492,556 0.366,557 0.168,558 0.065,559 3724,560 11473,561 2.018,562 43.2,563 2,564 11,567 1,568 2,572 1.637,573 1.826,574 3.021,575 -0.244,576 1,577 1,579 1,582 63.392,583 1.713,584 3.693,585 4.391,586 4.716,587 4.716,588 4.716,589 2.529,590 4.107,591 4.358,592 3.118,593 654.754,594 7.496,595 6633.59,596 1,597 1,598 1,599 1,600 192.75,601 1.545,602 4.289,603 0.196,604 0.006,605 0.085,606 0.063,607 0.053,608 0.03,609 0.025,610 0.023,611 0.014,612 0.011,613 0.505,614 0.67,615 1,616 1.444,617 92.635,618 -0.054,619 -0.26,620 0.028,621 -0.095,622 -0.046,623 -0.021,624 0.19,625 0.334,626 0.178,627 0.342,628 0.192,629 0.311,630 0.01,631 -0.017,632 0.04,633 -0.009,634 0.011,635 0.023,636 -0.232,637 -0.114,638 -0.214,639 -0.154,640 -0.194,641 -0.247,642 0.136,643 -0.155,644 0.044,645 -0.181,646 0.129,647 -0.18,648 -0.051,649 -0.133,650 0.021,651 -0.033,652 -0.037,653 0.04,654 0.045,655 0.037,656 -0.139,657 -0.081,658 -0.058,659 -0.05,660 -0.149,661 -0.354,662 -0.126,663 -0.269,664 -0.097,665 -0.188,666 2.195,667 4.391,668 0.571,669 15.755,670 1.013,671 1.129,672 1.812,673 3.283,674 0.679,675 3.178,676 3.555,677 3.912,678 4.248,679 4.5,680 4.663,681 4.844,682 4.942,683 4.89,684 4.771,685 4.805,686 0.649,687 305.79,688 3.178,689 4.745,690 5.638,691 6.561,692 7.483,693 8.416,694 9.348,695 10.287,696 11.225,697 12.167,698 8.1,705 1,706 1,707 1,714 2,715 2,720 4,721 1,722 10,725 1,737 1,740 1,741 37,743 12,744 1,745 23,747 39,748 15,749 8,750 4,751 2,752 1,756 3,757 6,758 1,767 2,770 2,772 10,773 5,777 2,782 1,785 1,786 2,789 1,790 1,793 16,794 4,795 1,796 6,797 1,802 3,808 0.333,809 2,824 1,828 2,829 1,831 1,832 1,835 1,859 1,864 3,865 1,868 21,876 2,877 1,878 1,892 1,893 5.4,896 1,898 1,901 11.5,902 7.793,903 4.694,904 2.169,907 2.399,908 1.341,909 0.986,910 3.675,911 9.428,912 3.434,913 4.115,914 4.778,915 5.456,916 6.049,917 6.51,918 6.98,919 7.367,920 7.487,921 7.53,922 0.833,923 36,924 7.732,926 3.268,927 0.026,929 7.807,931 14.688,933 12.013,936 2.307,937 48.444,941 176.567,942 78.133,943 36.695,944 39.149,945 36.145,948 78.133,949 251.86,950 36.695,951 25.189,952 23.08,953 18.952,954 27.902,955 44.187,956 11.663,957 176.567,958 39.149,959 176.567,960 114.829,961 36.145,962 39.149,964 176.567,965 36.145,968 41.764,969 73.064,970 39.149,972 176.567,973 72.84,974 117.282,977 176.567,978 33.992,979 46.041,980 18.011,981 92.079,982 176.567,983 72.84,984 117.282,986 0.588,987 0.369,988 0.201,989 0.115,990 18,991 9,992 0.051,993 2,994 2,995 1.333,996 3.171,997 170.189,998 0.333,999 12,1000 92.239,1005 14.419,1006 5.353,1007 2.227,1008 2.088,1009 70.941,1010 3.672,1015 3.186,1016 2.107,1017 18.011,1018 366.689,1019 30,1024 11.391,1027 4.359,1028 0.577,1031 37.469,1032 41.764,1034 0.329,1035 0.709,1036 0.843,1037 0.905,1038 0.905,1039 0.905,1040 4.705,1041 0.837,1042 5.666,1043 3.765,1044 4.234,1045 4.8,1046 2.441,1047 6.575,1048 4.119,1049 5.963,1050 0.417,1051 7.291,1052 2.05,1053 4.007,1054 4.89,1055 1.784,1056 7.662,1057 3.828,1058 7.324,1059 0.315,1060 9.014,1061 0.734,1062 5.922,1063 7.139,1064 3.546,1065 10.824,1066 5.72,1067 8.723,1068 0.069,1069 10.793,1070 0.485,1071 6.509,1072 8.049,1073 3.59,1074 12.748,1075 6.256,1076 10.155,1077 -0.454,1078 12.608,1079 0.133,1080 7.937,1081 9.834,1082 4.918,1083 15.461,1084 7.666,1085 11.61,1086 -0.812,1087 14.449,1088 -1.183,1089 8.881,1090 11.11,1091 5.289,1092 17.739,1093 8.573,1094 13.085,1095 -0.893,1096 16.31,1097 -1.949,1098 10.15,1099 12.74,1100 6.39,1101 20.311,1102 9.823,1103 3.409,1104 -1.203,1105 18.187,1106 -2.394,1107 11.25,1108 14.179,1109 6.93,1110 22.734,1111 10.893,1112 2.834,1113 12.412,1114 20.077,1115 -3.03,1116 12.471,1117 15.758,1118 7.902,1119 25.263,1120 12.094,1121 2.43,1122 9.21,1123 21.978,1124 4.777,1125 13.637,1126 17.266,1127 8.539,1128 27.743,1129 13.233,1130 2.163,1131 7.955,1132 23.889,1133 3.718,1134 14.849,1135 18.83,1136 9.436,1137 30.261,1138 14.422,1139 2.102,1140 6.968,1141 25.808,1142 3.156,1143 16.044,1144 20.368,1145 10.13,1146 32.764,1147 15.59,1148 1.495,1149 5.714,1150 27.733,1151 2.867,1152 17.257,1153 21.928,1154 10.981,1155 35.28,1156 16.778,1157 1.362,1158 4.582,1159 29.664,1160 2.714,1161 18.466,1162 23.48,1163 11.71,1164 37.791,1165 17.96,1166 3790,1167 6759,1168 14.74,1169 25.114,1170 34.858,1171 36.566,1172 37.971,1173 34.944,1174 34.87,1175 45.644,1176 7.077,1177 108.012,1178 32.654,1179 5.664,1180 5.685,1181 6.683,1182 5.435,1183 5.409,1184 7.777,1185 3.889,1186 19.933,1187 5.304,1188 12.418,1189 1.516,1190 1.59,1191 1.651,1192 1.519,1193 1.516,1194 1.985,1195 0.308,1196 4.696,1197 1.42,1198 4.186,1199 4.215,1200 4.194,1201 4.104,1202 7.435,1203 4.113,1204 3.706,1205 3.736,1206 3.801,1207 3.592,1208 5.034,1209 3.594,1210 3.533,1211 3.597,1212 3.462,1213 3.232,1214 4.742,1215 3.275,1216 3.333,1217 3.416,1218 3.369,1219 3.112,1220 4.441,1221 3.118,1222 3.236,1223 3.333,1224 3.104,1225 3.029,1226 4.37,1227 3.023,1228 2.972,1229 3.023,1230 2.964,1231 2.806,1232 4.099,1233 2.781,1234 2.912,1235 2.956,1236 2.764,1237 2.687,1238 3.878,1239 2.694,1240 2.722,1241 2.795,1242 2.532,1243 2.502,1244 3.749,1245 2.503,1246 0.209,1247 0.16,1248 0.31,1249 0.19,1250 0.148,1251 4.817,1252 0.208,1253 3.685,1254 0.095,1255 7.132,1256 0.54,1257 4.378,1258 0.144,1259 3.409,1260 4.777,1261 2.186,1262 12.412,1263 3.304,1264 1.934,1265 1.92,1266 1.991,1267 2.028,1268 1.224,1269 2.02,1270 1.64,1271 1.592,1272 1.78,1273 1.825,1274 1.028,1275 1.81,1276 1.536,1277 1.478,1278 1.762,1279 1.732,1280 0.927,1281 1.74,1282 1.405,1283 1.337,1284 1.69,1285 1.718,1286 0.682,1287 1.716,1288 1.227,1289 1.141,1290 1.567,1291 1.479,1292 0.614,1293 1.515,1294 1.03,1295 0.953,1296 1.32,1297 1.248,1298 0.484,1299 1.269,1300 0.879,1301 0.831,1302 1.094,1303 1.19,1304 0.145,1305 1.179,1306 0.714,1307 0.657,1308 0.974,1309 0.915,1310 0.012,1311 0.949,1312 3.85,1314 5.209,1315 3.045,1316 6.767,1317 5.533,1318 8.423,1319 7.743,1320 10.139,1322 5.335,1323 6.221,1328 1.888,1329 2.418,1330 5.203,1340 24.009,1341 63.392,1342 136.644,1343 162.485,1344 174.485,1345 174.485,1346 174.485,1347 30.037,1348 7.028,1349 55.62,1350 55.62,1351 16,1352 12.662,1353 3.7,1354 3,1355 32.044,1356 61,1357 66,1358 0.279,1359 151.619,1360 259.13,1361 361.711,1362 8612,1363 2.7,1364 15.146,1365 0.721,1366 0.615,1367 15.646,1368 12.914,1369 10.062,1370 0.437,1371 0.309,1372 6.639,1373 9.321,1374 6.35,1375 5.282,1376 10.351,1377 7.106,1378 9.132,1379 0.269,1380 0.159,1381 9.502,1382 5.403,1383 8.242,1384 0.168,1385 0.086,1386 8.595,1387 4.215,1388 6.884,1389 0.1,1390 0.045,1391 7.156,1392 3.138,1393 5.747,1394 0.065,1395 0.025,1396 6.136,1397 2.228,1398 0.417,1399 66.679,1400 0.26,1401 20.228,1402 0.826,1403 114,1404 355.298,1405 141.463,1406 368.161,1407 496.89,1408 344,1409 140,1410 348.11,1411 164.029,1412 360.858,1413 535.51,1414 338,1415 6.174}
{0 CHEMBL157208,1 1.632,2 12.692,3 1.448,4 2.097,5 104.253,6 7.451,7 0.179,8 4.001,9 4.134,10 3.612,11 3.513,12 5.054,13 3.469,14 4.58,15 4.784,16 3.89,17 3.901,18 5.472,19 3.816,20 4.813,21 5.056,22 3.828,23 3.986,24 5.707,25 3.861,26 4.828,27 5.092,28 3.792,29 3.976,30 5.784,31 3.838,32 4.822,33 5.092,34 3.707,35 3.912,36 5.724,37 3.772,38 4.677,39 4.937,40 3.584,41 3.772,42 5.679,43 3.635,44 4.484,45 4.749,46 3.468,47 3.658,48 5.376,49 3.493,50 4.414,51 4.684,52 3.39,53 3.536,54 5.272,55 3.408,56 0.021,57 0.792,58 11.378,59 4.451,60 11.923,61 6.028,62 0.228,63 1.25,64 25.532,65 7.758,66 16.365,67 10.423,68 0.474,69 1.402,70 32.73,71 9.615,72 37.928,73 13.599,74 0.304,75 1.387,76 29.35,77 10.298,78 53.253,79 14.926,80 0.36,81 1.308,82 32.075,83 9.888,84 44.483,85 14.018,86 0.467,87 1.15,88 27.186,89 7.654,90 61.398,91 11.14,92 0.202,93 0.996,94 22.452,95 7.524,96 33.811,97 10.566,98 0.26,99 0.88,100 21.09,101 6.444,102 27.822,103 9.255,104 10,105 36,106 0.277,107 0.557,108 0.703,109 0.808,110 0.828,111 0.835,112 3.303,113 1.079,114 -0.86,115 -0.97,116 -1.08,121 36,127 10,138 1,141 1,144 2,154 2,160 2,176 1,180 5,183 1,185 1,191 1,192 2,195 2,197 1,205 3,206 1,209 2,211 1,223 1,224 1,231 1,232 2,235 1,239 1,244 1,247 2,251 1,256 1,259 1,261 1,264 1,268 1,274 2,277 1,281 1026,282 18.154,283 18.154,284 18.154,285 18.154,286 18.154,287 17.092,288 27.306,289 11.092,290 18.766,291 13.736,292 13.736,293 13.736,294 13.736,295 13.736,296 11.894,297 36.565,298 5.115,299 14.683,300 4.012,301 2.359,302 1.5,303 0.88,304 0.76,305 0.72,306 3.988,310 1,311 1,312 1,313 700,314 3.536,317 165.597,318 96.801,325 2.047,326 21.384,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 56,338 330,339 4.392,340 4.259,341 6.5,342 3.96,343 3.018,344 3.798,345 2.95,346 10.151,347 2.846,348 4.128,349 4.215,350 5.719,351 3.77,352 2.788,353 3.735,354 2.689,355 8.109,356 2.747,357 3.582,358 3.869,359 5.327,360 3.39,361 2.46,362 2.607,363 1.539,364 6.946,365 2.28,366 3.532,367 3.209,368 5.201,369 3.122,370 2.166,371 2.463,372 0.916,373 6.152,374 2.063,375 3.303,376 3.035,377 4.774,378 2.891,379 1.929,380 2.237,381 0.886,382 5.347,383 1.85,384 3.135,385 2.704,386 3.999,387 2.47,388 1.537,389 1.62,390 0.657,391 3.407,392 1.434,393 2.816,394 2.427,395 3.602,396 2.208,397 1.389,398 1.432,399 0.4,400 3.027,401 1.115,402 2.491,403 2.287,404 3.518,405 2.019,406 1.105,407 1.303,408 0.172,409 2.567,410 1.003,411 2.412,412 2.171,413 3.394,414 1.938,415 1,416 1.19,418 2.136,419 0.924,420 2.216,421 1.758,422 3.272,423 1.877,424 0.928,425 1.095,427 2.131,428 0.879,429 2.102,430 1.456,431 3.247,432 1.729,433 0.738,434 1.028,436 1.752,437 0.73,438 2,439 1.069,440 2.879,441 1.547,442 0.618,443 1,445 0.791,446 0.572,447 1.526,448 0.849,449 2.659,450 1.27,451 0.321,452 0.341,454 0.743,455 0.304,456 1.384,457 0.524,458 2.618,459 0.822,460 -0.104,461 -0.113,463 -0.262,464 -0.096,465 0.991,466 0.381,467 2.311,468 0.662,469 -0.265,470 -0.443,472 -0.38,473 -0.245,474 12.567,475 0.483,476 0.376,477 0.014,478 28.5,479 1.096,480 11,481 0.423,482 17.5,483 0.673,484 23.96,485 0.922,486 28.833,487 0.577,488 18.388,489 0.707,490 5.13,491 0.197,492 7.666,493 0.295,494 0.064,496 0.223,501 0.952,502 1.502,503 0.793,504 1.105,505 0.425,506 1.033,507 1.256,508 1.14,509 1.228,510 1.143,511 0.443,512 1.01,513 1.205,514 1.029,515 1.129,516 1.057,517 0.522,518 1.044,519 0.62,520 0.974,521 0.702,522 0.946,523 0.423,524 1.039,525 1.224,526 0.944,527 0.903,528 0.905,529 1.024,530 0.943,531 1.489,532 0.837,533 1.001,534 0.85,535 1.819,536 1.026,537 0.718,538 1.007,539 0.928,540 1.047,541 0.823,542 1.085,543 1.079,544 0.878,545 0.832,546 0.826,547 0.791,548 0.865,549 4,550 0.097,551 2,552 1.507,553 0.811,554 0.487,555 0.302,556 0.131,557 0.151,558 0.086,559 9304,560 25532,561 2.082,562 48,564 22,567 2,572 1.683,573 2,574 3.624,575 0.327,576 1,577 1,582 81.585,583 1.632,584 3.285,585 4.143,586 4.764,587 4.884,588 4.924,589 3.061,590 4.085,591 4.675,592 3.823,593 1242.34,594 8.054,595 16906.4,597 1,599 1,600 282.193,601 1.14,602 4.655,603 0.143,604 0.005,605 0.056,606 0.046,607 0.025,608 0.017,609 0.013,610 0.006,611 0.007,612 0.004,613 0.322,614 0.33,615 1,616 0.931,617 131.733,618 -0.048,619 -0.263,620 0.075,621 -0.056,622 0.133,623 -0.021,624 -0.161,625 0.001,626 -0.134,627 -0.065,628 0.007,629 -0.033,630 -0.038,631 -0.04,632 -0.139,633 -0.074,634 0.085,635 -0.075,636 0.193,637 -0.056,638 0.071,639 -0.075,640 0.271,641 -0.053,642 -0.084,643 -0.054,644 0.004,645 0.011,646 -0.102,647 0.028,648 -0.181,649 0.11,650 -0.124,651 0.008,652 -0.333,653 -0.102,654 0.069,655 -0.053,656 0.003,657 -0.075,658 0.017,659 -0.086,660 0.012,661 0.03,662 0.073,663 0.086,664 -0.03,665 0.104,666 1.519,667 3.015,668 0.615,669 26.42,670 0.999,671 1.137,672 -0.366,673 0.134,674 0.66,675 3.367,676 3.611,677 3.85,678 4.06,679 4.06,680 4.007,681 4.043,682 4.06,683 4.111,684 4.19,685 7.607,686 0.615,687 372.55,688 3.367,689 4.86,690 5.68,691 6.521,692 7.354,693 8.2,694 9.038,695 9.886,696 10.727,697 11.575,698 12,700 2,701 2,707 2,715 2,718 1,720 2,722 5,741 50,743 8,745 28,747 52,748 18,749 4,756 3,757 3,771 2,772 6,773 10,777 1,786 2,789 1,790 1,792 1,793 24,794 7,795 2,796 8,797 1,802 6,808 1,809 1,828 2,829 1,838 2,850 1,853 2,855 2,859 3,860 1,862 1,868 26,876 10,877 2,879 1,881 2,885 2,889 2,891 2,893 2,898 1,901 13,902 8.8,903 6.056,904 3.053,907 1.577,908 1.225,909 0.958,910 7.282,911 8.591,912 3.597,913 3.975,914 4.464,915 4.898,916 4.928,917 4.968,918 5.076,919 5.099,920 5.232,921 5.489,922 1,923 33,924 9.596,926 3.932,927 0.026,929 7.692,931 18.711,933 15.131,936 2.192,937 57,941 258.964,942 119.432,943 104.389,945 9.507,947 32.22,948 87.212,949 268.472,950 104.389,952 18.645,953 54.974,954 33.203,955 83.388,956 10.898,957 291.184,959 258.964,960 191.601,961 9.507,962 32.22,964 258.964,965 9.507,968 123.034,969 68.567,971 32.22,972 258.964,973 113.896,974 119.432,977 258.964,978 67.276,979 25.201,980 69.225,981 71.626,982 258.964,983 113.896,984 119.432,986 0.554,987 0.331,988 0.184,989 0.085,990 15,991 6,992 0.135,993 7,995 1,996 4.022,997 197.341,999 16,1000 114.211,1001 1,1005 19.134,1006 9.895,1007 5.429,1009 113.896,1010 4.101,1013 5.92,1015 1.965,1017 36.022,1018 492.292,1019 35.5,1028 0.797,1031 49.967,1032 56.856,1034 0.289,1035 0.582,1036 0.734,1037 0.844,1038 0.865,1039 0.872,1040 4.838,1041 1.105,1042 5.609,1043 3.027,1044 4.29,1045 4.659,1046 3.728,1047 6.34,1048 4.174,1049 5.984,1050 1,1051 7.111,1052 2.567,1053 3.611,1054 4.159,1055 0.57,1056 7.096,1057 3.485,1058 7.249,1059 0.928,1060 8.714,1061 2.136,1062 5.796,1063 6.642,1064 5.6,1065 10.173,1066 5.589,1067 8.549,1068 0.738,1069 10.381,1070 2.131,1071 6.043,1072 7.131,1073 0.637,1074 11.837,1075 5.827,1076 9.886,1077 0.618,1078 12.092,1079 1.752,1080 7.582,1081 8.962,1082 7.652,1083 14.386,1084 7.293,1085 11.248,1086 0.321,1087 13.835,1088 0.791,1089 8.26,1090 9.894,1091 0.607,1092 16.419,1093 7.952,1094 12.629,1095 -0.104,1096 15.6,1097 0.743,1098 9.532,1099 11.454,1100 9.742,1101 18.803,1102 9.161,1103 3.018,1104 -0.265,1105 17.382,1106 -0.262,1107 10.419,1108 12.592,1109 0.548,1110 20.992,1111 10.017,1112 2.788,1113 10.151,1114 19.178,1115 -0.38,1116 11.578,1117 14.03,1118 11.846,1119 23.324,1120 11.12,1121 2.46,1122 8.109,1123 20.985,1124 3.798,1125 12.565,1126 15.266,1127 0.481,1128 25.581,1129 12.069,1130 2.166,1131 6.946,1132 22.802,1133 3.735,1134 13.678,1135 16.647,1136 13.96,1137 27.897,1138 13.127,1139 1.929,1140 6.152,1141 24.626,1142 2.607,1143 14.715,1144 17.93,1145 0.415,1146 30.185,1147 14.12,1148 1.537,1149 5.347,1150 26.457,1151 2.463,1152 15.809,1153 19.284,1154 16.081,1155 32.498,1156 15.161,1157 1.389,1158 3.407,1159 28.294,1160 2.237,1161 16.871,1162 20.589,1163 0.355,1164 34.8,1165 16.174,1166 8994,1167 15014,1168 19.068,1169 32.989,1170 42.538,1171 47.338,1172 41.419,1173 40.052,1174 39.995,1175 47.7,1176 20.421,1177 106.521,1178 37.493,1179 5.392,1180 6.04,1181 6.302,1182 5.104,1183 5.018,1184 6.553,1185 5.9,1186 16.833,1187 4.762,1188 9.778,1189 1.519,1190 1.691,1191 1.479,1192 1.43,1193 1.428,1194 1.704,1195 0.729,1196 3.804,1197 1.339,1198 3.975,1199 4.008,1200 3.971,1201 3.817,1202 6.856,1203 3.832,1204 3.879,1205 3.932,1206 3.859,1207 3.711,1208 6.782,1209 3.733,1210 3.726,1211 3.78,1212 3.822,1213 3.63,1214 5.039,1215 3.576,1216 3.519,1217 3.587,1218 3.43,1219 3.344,1220 4.512,1221 3.352,1222 3.398,1223 3.467,1224 3.291,1225 3.208,1226 4.269,1227 3.209,1228 3.131,1229 3.211,1230 3.149,1231 2.995,1232 4.176,1233 2.957,1234 3.111,1235 3.206,1236 2.915,1237 2.941,1238 3.639,1239 2.91,1240 2.935,1241 3.031,1242 2.866,1243 2.743,1244 3.622,1245 2.713,1246 0.157,1247 0.152,1248 0.232,1249 0.141,1250 0.108,1251 4.392,1252 0.136,1253 4.259,1254 0.105,1255 6.5,1256 0.363,1257 3.96,1258 0.102,1259 3.018,1260 3.798,1261 2.95,1262 10.151,1263 2.846,1264 1.753,1265 1.7,1266 1.918,1267 1.942,1268 1.286,1269 1.956,1270 1.705,1271 1.654,1272 1.89,1273 1.914,1274 1.173,1275 1.912,1276 1.6,1277 1.558,1278 1.746,1279 1.775,1280 1.002,1281 1.753,1282 1.513,1283 1.454,1284 1.701,1285 1.722,1286 0.892,1287 1.733,1288 1.446,1289 1.406,1290 1.624,1291 1.609,1292 0.834,1293 1.63,1294 1.303,1295 1.239,1296 1.52,1297 1.52,1298 0.825,1299 1.525,1300 1.153,1301 1.064,1302 1.513,1303 1.376,1304 0.618,1305 1.429,1306 0.958,1307 0.868,1308 1.253,1309 1.248,1310 0.412,1311 1.245,1312 4.043,1314 5.303,1315 3.045,1316 6.744,1317 5.283,1318 8.266,1319 7.261,1320 9.831,1328 9.313,1329 6.49,1331 2.014,1333 4.472,1338 18.029,1339 3.899,1340 30.772,1341 81.585,1342 164.244,1343 207.173,1344 238.193,1345 244.193,1346 246.193,1347 43.65,1348 7.014,1349 91.26,1350 116.56,1351 16,1352 12.135,1353 3.17,1354 3.087,1355 44.782,1356 122,1357 102,1358 0.178,1359 196.654,1360 346.8,1361 471.595,1362 11589,1364 18.192,1365 0.7,1366 0.602,1367 18.546,1368 15.648,1369 12.796,1370 0.457,1371 0.36,1372 8.87,1373 11.73,1374 8.6,1375 7.046,1376 13.296,1377 10.071,1378 10.501,1379 0.292,1380 0.209,1381 11.031,1382 7.519,1383 8.851,1384 0.192,1385 0.119,1386 9.305,1387 5.451,1388 7.327,1389 0.129,1390 0.072,1391 7.849,1392 4.12,1393 4.949,1394 0.087,1395 0.048,1396 5.441,1397 2.763,1398 0.292,1399 85.443,1400 0.229,1401 25.982,1402 0.452,1403 128,1404 371.842,1405 160.197,1406 381.233,1407 508.2,1408 358,1409 146,1410 346.208,1411 174.563,1412 357.414,1413 514.94,1414 335,1415 5.824}
{0 CHEMBL157327,1 1.207,2 4.667,3 2.844,4 8.088,5 49.341,6 6.676,7 0.462,8 3.244,9 3.357,10 2.731,11 2.892,12 4.257,13 2.826,14 3.801,15 3.981,16 3.105,17 3.302,18 4.726,19 3.216,20 4.026,21 4.215,22 3.099,23 3.369,24 5.094,25 3.254,26 4.059,27 4.313,28 2.689,29 3.153,30 5.057,31 2.981,32 3.6,33 3.863,34 2.254,35 2.718,36 4.554,37 2.532,38 3.342,39 3.621,40 1.346,41 2.282,42 4.212,43 2.009,44 2.85,45 3.248,46 0.463,47 1.614,48 3.219,49 1.228,50 2.195,51 2.648,52 0.062,53 0.835,54 2.303,55 0.485,56 0.016,57 0.291,58 5.226,59 2.541,60 3.226,61 3.397,62 0.04,63 0.504,64 9.582,65 4.408,66 7.086,67 5.993,68 0.071,69 0.614,70 12.35,71 5.326,72 15.492,73 7.156,74 0.146,75 0.603,76 13.461,77 5.202,78 31.765,79 6.996,80 0.058,81 0.386,82 8.261,83 3.375,84 14.206,85 4.665,86 0.082,87 0.284,88 6.573,89 2.457,90 18.219,91 3.337,92 0.026,93 0.173,94 3.928,95 1.56,96 5.815,97 2.337,98 0.016,99 0.081,100 2.003,101 0.741,102 3.285,103 1.143,104 10,105 19,106 0.248,107 0.6,108 0.787,109 0.828,110 0.845,111 0.845,112 2.603,113 0.997,114 -4.24,115 -4.18,116 -3.95,121 45.8,122 2,123 1,124 1,144 3,145 3,159 1,176 10,180 2,187 13,192 4,200 11,206 2,214 6,219 2,227 4,239 1,281 92,282 7.793,283 7.793,284 7.793,285 7.793,286 7.793,287 6.949,288 9.349,289 4.42,290 7.768,291 6.379,292 6.379,293 6.379,294 6.379,295 6.379,296 5.021,297 7.85,298 2.093,299 6.321,300 3.378,301 1.668,302 0.761,303 0.563,304 0.48,305 0.48,306 3.225,311 1,312 1,313 116,314 1.581,317 20.023,318 24.29,321 37.456,325 0.722,326 9.447,329 1,330 0.67,331 0.83,332 0.7,333 0.5,334 1,335 1,336 0.81,337 25,338 56,339 4.465,340 3.776,341 6.662,342 4.176,343 3.163,344 4.062,345 1.277,346 10.634,347 3.204,348 3.687,349 2.761,350 5.43,351 3.356,352 2.348,353 3.025,355 6.628,356 2.365,357 3.265,358 2.377,359 4.954,360 2.922,361 1.91,362 2.48,364 5.651,365 1.93,366 2.861,367 1.852,368 4.684,369 2.636,370 1.628,371 1.938,373 4.7,374 1.639,375 2.286,376 1.323,377 3.477,378 1.834,379 0.797,380 1.11,382 1.958,383 0.822,384 1.35,385 0.59,386 2.484,387 1.034,393 0.69,394 -0.249,395 2.287,396 0.341,397 -0.667,398 -0.753,400 -1.632,401 -0.671,402 0.494,403 -0.62,404 2.253,405 0.223,406 -0.797,407 -1.118,409 -2.286,410 -0.811,411 0.021,412 -0.896,413 1.606,414 -0.216,415 -1.241,416 -1.492,418 -3.192,419 -1.264,420 -0.153,421 -1.164,422 1.271,423 -0.421,424 -1.45,425 -1.796,427 -3.924,428 -1.502,429 -0.5,430 -1.586,431 1.121,432 -0.779,433 -1.786,434 -2.176,436 -5.391,437 -1.805,438 -0.657,439 -1.723,440 1.076,441 -0.905,442 -1.906,443 -2.282,445 -6.275,446 -1.907,447 -0.809,448 -2,449 0.696,450 -1,451 -2,452 -3,453 -1.277,454 -6.872,455 -2,474 5.833,475 0.486,476 0.404,477 0.034,478 14.25,479 1.188,480 7.5,481 0.625,482 6.75,483 0.563,484 8.3,485 0.692,486 12.767,487 0.532,488 7.355,489 0.613,490 2.598,491 0.217,492 3.083,493 0.257,494 0.229,496 0.429,501 0.479,502 1.004,503 0.86,504 1.002,505 0.525,506 0.971,507 0.501,508 0.901,509 0.759,510 0.896,511 0.522,512 0.857,513 0.991,514 1.241,515 1.088,516 1.23,517 1.003,518 1.176,519 1.671,520 0.965,521 1.174,522 0.968,523 1.661,524 1.018,525 0.942,526 1.148,527 1.06,528 1.143,529 0.907,530 1.116,531 1.876,532 1.101,533 1.483,534 1.125,535 1.833,536 1.249,537 0.091,538 0.642,539 0.591,540 0.654,541 0.112,542 0.666,549 3,551 1.778,552 1.326,553 0.568,554 0.278,559 736,560 1632,561 1.991,562 50,563 8,564 3,568 1,572 1.463,573 1.8,574 2.334,575 -0.888,582 28.966,583 1.207,584 2.917,585 3.824,586 4.022,587 4.105,588 4.105,589 1.784,590 3.189,591 3.562,592 2.301,593 151.898,594 5.88,595 1046.68,597 1,600 110.039,601 1.555,602 3.478,603 0.231,605 0.094,606 0.078,607 0.057,608 0.046,613 0.506,614 0.83,615 1,616 0.799,617 40.491,618 0.002,619 0.047,620 0.035,621 0.047,622 -0.037,623 0.044,624 0.056,625 0.111,626 0.159,627 0.119,628 0.027,629 0.144,630 -0.002,631 -0.263,632 -0.141,633 -0.256,634 -0.006,635 -0.217,636 -0.192,637 -0.03,638 -0.171,639 -0.043,640 -0.171,641 -0.096,642 0.009,643 -0.216,644 -0.102,645 -0.208,646 0.044,647 -0.171,648 -0.339,649 -0.195,650 -0.482,651 -0.227,652 -0.285,653 -0.348,654 0.169,655 0.23,656 0.346,657 0.246,658 0.114,659 0.304,660 0.309,661 0.844,662 0.981,663 0.879,664 0.255,665 0.976,666 1.353,667 4.549,668 0.75,669 4.444,670 0.985,671 1.113,672 3.014,673 9.086,674 0.668,675 2.639,676 2.996,677 3.258,678 3.497,679 3.638,680 3.466,681 3.367,682 3.219,683 2.079,684 0.693,685 2.985,686 0.62,687 160.23,688 2.639,689 4.174,690 5.03,691 5.922,692 6.801,693 7.694,694 8.58,695 9.472,696 10.361,697 11.253,715 3,720 3,722 6,727 1,741 24,743 7,744 1,745 13,747 25,748 11,749 6,750 3,751 3,752 1,756 2,757 3,763 2,767 1,768 1,770 1,772 7,773 4,774 1,777 1,782 1,786 1,793 12,794 1,796 1,808 0.5,809 1,828 1,829 1,832 1,859 1,864 2,868 12,876 1,880 1,893 4.2,896 1,901 6.667,902 5,903 2.583,904 1.569,907 1.393,908 1.256,909 0.96,910 1.537,911 6.831,912 2.89,913 3.481,914 4.03,915 4.531,916 5.014,917 5.005,918 5.123,919 5.124,920 4.275,921 2.784,922 1,923 17,924 4.459,925 0.006,926 1.899,927 0.026,929 7.708,931 8.694,932 0.002,933 7.354,934 -0.002,936 2.208,937 26.5,938 0.017,941 141.253,942 63.304,945 25.145,948 63.304,949 166.398,951 17.65,952 2.535,953 28.429,954 30.278,955 9.557,957 141.253,959 141.253,960 63.304,961 25.145,964 141.253,965 25.145,968 20.185,969 43.119,972 141.253,973 25.145,974 63.304,977 141.253,978 17.225,979 46.079,981 25.145,982 141.253,983 25.145,984 63.304,986 0.6,987 0.356,988 0.185,989 0.103,990 11,991 5,994 1,995 1.222,996 2.34,997 72.835,998 0.222,999 9,1000 43.02,1005 7.54,1006 2.445,1007 1.094,1009 25.145,1010 6.15,1015 3.344,1018 229.702,1019 17,1024 11.549,1028 0.314,1031 23.629,1032 26.701,1034 0.263,1035 0.636,1036 0.834,1037 0.877,1038 0.895,1039 0.895,1040 4.135,1041 -0.797,1042 5.056,1043 -1.632,1044 3.664,1045 4.159,1046 1.45,1047 5.9,1048 3.684,1049 5.358,1050 -1.241,1051 6.648,1052 -2.286,1053 3.434,1054 4.086,1056 6.855,1057 3.472,1058 6.679,1059 -1.45,1060 8.336,1061 -3.192,1062 5.293,1063 6.325,1064 1.845,1065 9.964,1066 5.334,1067 8.035,1068 -1.786,1069 10.078,1070 -3.924,1071 5.832,1072 7.005,1074 11.743,1075 5.897,1076 9.421,1077 -1.906,1078 11.854,1079 -5.391,1080 7.241,1081 8.79,1082 2.271,1083 14.386,1084 7.308,1085 10.83,1086 -2,1087 13.655,1088 -6.275,1089 8.128,1090 9.822,1092 16.518,1093 8.218,1094 12.256,1096 15.474,1097 -6.872,1098 9.37,1099 11.416,1100 2.72,1101 18.99,1102 9.465,1103 3.163,1105 17.309,1107 10.41,1108 12.624,1110 21.264,1111 10.525,1112 2.348,1113 10.634,1114 19.156,1116 11.591,1117 14.125,1118 3.184,1119 23.67,1120 11.715,1121 1.91,1122 6.628,1123 21.013,1124 4.062,1125 12.696,1126 15.424,1128 25.999,1129 12.836,1130 1.628,1131 5.651,1132 22.878,1133 3.025,1134 13.855,1135 16.879,1136 3.658,1137 28.38,1138 14.007,1139 0.797,1140 4.7,1141 24.75,1142 2.48,1143 14.987,1144 18.226,1146 30.731,1147 15.153,1149 1.958,1150 26.626,1151 1.938,1152 16.14,1153 19.656,1154 4.138,1155 33.101,1156 16.318,1157 -0.667,1159 28.507,1160 1.11,1161 17.283,1162 21.028,1164 35.46,1165 17.475,1166 804,1167 1236,1168 8.266,1169 16.023,1170 20.135,1171 21.259,1172 21.182,1173 19.732,1174 19.694,1175 25.232,1176 2.555,1177 59.142,1178 19.919,1179 5.274,1180 5.776,1181 5.966,1182 5.176,1183 5.163,1184 7.062,1185 2.555,1186 17.506,1187 5.204,1188 6.1,1189 1.549,1190 1.635,1191 1.629,1192 1.518,1193 1.515,1194 1.941,1195 0.197,1196 4.549,1197 1.532,1198 4.037,1199 4.059,1200 3.983,1201 3.98,1202 7.426,1203 3.977,1204 3.572,1205 3.622,1206 3.452,1207 3.462,1208 4.705,1209 3.452,1210 3.123,1211 3.214,1212 2.934,1213 2.971,1214 4.082,1215 2.948,1216 2.994,1217 3.031,1218 2.84,1219 2.822,1220 3.786,1221 2.819,1222 2.757,1223 2.875,1224 2.447,1225 2.531,1226 3.57,1227 2.491,1228 2.539,1229 2.583,1230 2.376,1231 2.262,1232 3.283,1233 2.289,1234 2.189,1235 2.288,1236 1.918,1237 2.004,1238 2.711,1239 1.969,1240 1.708,1241 1.869,1242 1.237,1243 1.287,1244 2.328,1245 1.248,1246 0.343,1247 0.29,1248 0.512,1249 0.321,1250 0.243,1251 4.465,1252 0.312,1253 3.776,1254 0.098,1255 6.662,1256 0.818,1257 4.176,1258 0.246,1259 3.163,1260 4.062,1261 1.277,1262 10.634,1263 3.204,1264 1.918,1265 1.897,1266 2.029,1267 1.986,1268 1.223,1269 2.001,1270 1.645,1271 1.6,1272 1.874,1273 1.808,1274 1.109,1275 1.831,1276 1.254,1277 1.196,1278 1.553,1279 1.446,1280 0.673,1281 1.484,1282 0.952,1283 0.891,1284 1.291,1285 1.196,1286 0.406,1287 1.223,1288 0.822,1289 0.711,1290 1.166,1291 1.073,1292 0.232,1293 1.117,1294 0.543,1295 0.468,1296 0.879,1297 0.817,1299 0.841,1300 0.052,1302 0.536,1303 0.382,1305 0.432,1308 0.303,1309 0.198,1311 0.249,1312 3.296,1314 4.635,1315 2.398,1316 6.168,1317 4.844,1318 7.786,1319 7.002,1320 9.451,1322 4.022,1328 0.925,1332 0.196,1340 14.876,1341 28.966,1342 70,1343 91.774,1344 96.529,1345 98.529,1346 98.529,1347 15.902,1348 5.438,1349 17.07,1350 17.07,1351 11,1352 11.781,1353 3,1354 2.322,1355 17,1356 22,1357 18,1358 0.443,1359 93.786,1360 161.47,1361 220.598,1362 1086,1364 8.715,1365 0.726,1366 0.619,1367 8.715,1368 7.425,1369 5.682,1370 0.437,1371 0.332,1372 4.306,1373 5.618,1374 4.088,1375 3.436,1376 5.682,1377 4.32,1378 5.414,1379 0.285,1380 0.191,1381 5.414,1382 3.63,1383 4.558,1384 0.182,1385 0.1,1386 4.558,1387 2.505,1388 3.538,1389 0.111,1390 0.056,1391 3.538,1392 1.786,1393 2.859,1394 0.077,1395 0.033,1396 2.859,1397 1.222,1398 0.619,1399 34.667,1400 0.348,1401 11.632,1402 1.442,1403 64,1404 153.736,1405 66.104,1406 152.839,1407 207.61,1408 142,1409 76,1410 149.636,1411 78.326,1412 155.77,1413 226.61,1414 146,1415 6.42}
{0 CHEMBL157336,1 1.214,2 20.139,3 7.273,4 52.895,5 153.17,6 5.572,7 0.154,8 4.518,9 4.672,10 3.828,11 4.038,12 5.296,13 3.948,14 5.17,15 5.396,16 4.162,17 4.501,18 5.857,19 4.364,20 5.543,21 5.822,22 4.165,23 4.694,24 6.171,25 4.495,26 5.617,27 5.942,28 4,29 4.623,30 6.192,31 4.382,32 5.456,33 5.776,34 3.844,35 4.462,36 6.075,37 4.227,38 5.341,39 5.664,40 3.75,41 4.359,42 5.911,43 4.127,44 5.247,45 5.554,46 3.724,47 4.319,48 5.824,49 4.09,50 5.265,51 5.584,52 3.72,53 4.294,54 5.864,55 4.067,56 0.117,57 1.248,58 22.929,59 9.338,60 11.505,61 13.704,62 0.305,63 2.111,64 41.37,65 16.135,66 24.431,67 24.006,68 0.383,69 2.708,70 56.48,71 21.616,72 36.455,73 32.307,74 0.389,75 2.633,76 57.585,77 21.911,78 43.385,79 32.827,80 0.372,81 2.235,82 49.459,83 18.407,84 42.812,85 27.615,86 0.316,87 1.988,88 43.774,89 16.713,90 30.812,91 24.864,92 0.335,93 1.872,94 40.353,95 16.042,96 27.36,97 23.513,98 0.277,99 1.859,100 40.733,101 15.638,102 32.216,103 23.236,104 11,105 52,106 0.184,107 0.383,108 0.566,109 0.692,110 0.733,111 0.769,112 3.614,113 1.176,114 -6.44,115 -6.27,116 -5.82,121 36,123 17,124 3,126 2,127 2,132 1,144 4,145 1,146 1,160 1,176 23,180 3,183 1,185 6,187 29,192 3,197 6,200 20,206 4,211 7,214 13,219 4,224 4,227 13,232 1,237 2,239 17,243 1,244 1,247 1,249 2,251 18,256 1,261 2,264 17,269 2,274 2,277 16,281 2888,282 24.466,283 24.466,284 24.466,285 24.466,286 24.466,287 23.612,288 24.838,289 15.142,290 24.673,291 19.362,292 19.362,293 19.362,294 19.362,295 19.362,296 18.015,297 39.514,298 7.375,299 19.663,300 5.262,301 3.953,302 2.748,303 1.922,304 1.647,305 1.411,306 4.313,312 1,313 1582,314 5.148,318 685.226,320 528.774,325 3.298,326 15.63,329 0.75,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.71,337 74.5,338 725,339 4.445,340 3.614,341 7.271,342 4.427,343 3.445,344 3.691,345 1.987,346 13.021,347 3.382,348 4.122,349 3.53,350 5.931,351 3.768,352 2.797,353 3.445,354 0.8,355 8.246,356 2.727,357 3.764,358 2.985,359 5.656,360 3.537,361 2.548,362 3.012,363 0.4,364 7.884,365 2.519,366 3.548,367 2.592,368 5.453,369 3.5,370 2.516,371 2.605,372 0.324,373 7.244,374 2.459,375 3.408,376 2.535,377 5.061,378 3.072,379 2.085,380 2.548,382 6.076,383 2.047,384 3,385 2,386 5.061,387 3,388 2,389 2,391 6.076,392 2,393 3,394 2,395 4.803,396 3,397 2,398 2,400 5.448,401 2,402 2.949,403 1.965,404 3.968,405 2.941,406 1.941,407 1.949,409 3.902,410 1.94,411 2.802,412 1.858,413 3.872,414 2.785,415 1.787,416 1.802,418 3.619,419 1.782,420 2.578,421 1.678,422 3.78,423 2.551,424 1.558,425 1.575,427 3.184,428 1.545,429 2.5,430 1.499,431 3.697,432 2.263,433 1.289,434 1.5,436 2.924,437 1.254,438 2.453,439 1.425,440 3.469,441 2.179,442 1.213,443 1.444,445 2.579,446 1.166,447 2.283,448 1.108,449 3.414,450 2,451 1,452 1.273,454 2.275,455 1,456 1.946,457 1,458 3.396,459 1.898,460 0.918,461 0.932,463 1.912,464 0.897,465 1.577,466 0.767,467 3.396,468 1.527,469 0.553,470 0.56,472 1.17,473 0.537,474 17.533,475 0.487,476 0.746,477 0.021,478 29.5,479 0.819,480 8,481 0.222,482 21.5,483 0.597,484 48.104,485 1.336,486 43.067,487 0.484,488 15.619,489 0.434,490 3.969,491 0.11,492 13.543,493 0.376,494 0.076,495 0.029,496 0.194,501 0.869,502 1.447,503 1.139,504 1.306,505 0.622,506 1.247,507 0.906,508 1.248,509 1.154,510 1.201,511 0.53,512 1.189,513 1.074,514 1.159,515 1.154,516 1.154,517 0.918,518 1.156,519 0.827,520 0.992,521 0.93,522 0.98,523 0.749,524 0.964,525 1.149,526 0.957,527 0.997,528 0.966,529 1.178,530 0.97,531 1.04,532 0.899,533 0.932,534 0.912,535 1.117,536 0.917,537 0.711,538 0.985,539 0.982,540 1.036,541 0.845,542 1.031,543 0.899,544 0.975,545 0.913,546 0.969,547 0.939,548 0.948,549 7.5,550 0.115,551 2,552 2.063,553 1.036,554 0.625,555 0.363,556 0.299,557 0.18,558 0.142,559 29793,560 45337,561 2.082,562 59.6,563 25,564 14,567 2,568 2,569 10,572 1.759,573 1.991,574 4.203,575 0.038,582 108.006,583 1.214,584 2.523,585 3.728,586 4.554,587 4.829,588 5.065,589 3.618,590 3.893,591 5.148,592 4.512,593 2842.68,594 8.954,595 57090.5,600 576.34,601 1.267,602 5.115,603 0.192,604 0.004,605 0.038,606 0.043,607 0.027,608 0.019,609 0.012,610 0.01,611 0.006,612 0.005,613 0.357,614 0.33,615 0.63,616 0.586,617 210.776,618 0.025,619 -0.063,620 0.055,621 0.005,622 0.022,623 0.027,624 0.046,625 -0.031,626 -0.048,627 -0.049,628 0.095,629 -0.053,630 -0.084,631 -0.093,632 -0.125,633 -0.113,634 -0.033,635 -0.12,636 0.029,637 -0.053,638 0.022,639 -0.024,640 0.073,641 -0.004,642 -0.042,643 -0.009,644 -0.021,645 -0.017,646 0.012,647 -0.017,648 -0.024,649 0.036,650 0.03,651 0.042,652 -0.013,653 0.04,654 0.127,655 -0.013,656 -0.013,657 -0.037,658 0.029,659 -0.036,660 0.04,661 -0.032,662 0.049,663 -0.002,664 0.084,665 0.021,666 1.527,667 5.149,668 0.444,669 53.457,670 0.974,671 1.136,672 5.212,673 27.165,674 0.612,675 3.689,676 3.97,677 4.159,678 4.431,679 4.654,680 4.754,681 4.796,682 4.771,683 4.317,684 4.304,685 12.194,686 0.55,687 495.88,688 3.689,689 5.209,690 6.023,691 6.887,692 7.723,693 8.604,694 9.454,695 10.349,696 11.211,697 12.118,698 3.4,700 1,704 1,705 1,715 4,720 2,722 6,736 1,741 89,743 7,744 1,745 39,747 92,748 32,749 6,750 2,751 4,756 4,757 8,767 6,768 4,770 17,772 7,773 25,774 4,777 1,782 1,786 1,793 53,794 4,795 2,796 4,802 3,808 0.5,809 1,829 5,831 3,843 1,853 1,859 2,864 2,868 36,876 19,877 2,880 3,881 1,882 1,893 1.1,896 1,901 18.083,902 15.7,903 8.028,904 6.297,907 0.831,908 1.106,909 0.934,910 10.871,911 8.641,912 3.784,913 4.167,914 4.48,915 4.878,916 5.254,917 5.307,918 5.402,919 5.367,920 4.786,921 4.778,922 0.923,923 48,924 13.509,926 5.607,927 0.026,929 7.299,931 27.922,933 24.273,936 1.799,937 64.75,941 600.326,942 112.643,943 39.146,945 25.145,948 112.643,949 625.471,950 39.146,951 16.793,952 65.309,953 55.916,954 29.85,955 9.067,957 600.326,959 600.326,960 151.789,961 25.145,964 482.615,965 142.856,968 83.32,969 68.469,972 600.326,973 64.291,974 112.643,977 600.326,978 57.945,979 57.822,980 36.022,981 25.145,982 600.326,983 64.291,984 112.643,986 0.565,987 0.306,988 0.162,989 0.088,990 22,991 9,992 0.185,993 17,994 6,995 1.5,996 5.183,997 294.984,998 0.75,999 12,1000 165.853,1005 27.804,1006 14.076,1007 8.947,1009 64.291,1010 8.247,1015 2.246,1017 36.022,1018 777.26,1019 43,1024 12.149,1028 0.14,1031 86.723,1032 101.084,1034 0.187,1035 0.39,1036 0.576,1037 0.703,1038 0.746,1039 0.782,1040 5.04,1041 1.941,1042 5.994,1043 5.448,1044 4.654,1045 4.852,1046 2.225,1047 6.772,1048 4.626,1049 6.151,1050 1.787,1051 7.523,1052 3.902,1053 4.205,1054 4.477,1055 1.668,1056 7.865,1057 4.15,1058 7.411,1059 1.558,1060 9.168,1061 3.619,1062 6.24,1063 6.694,1064 3.123,1065 10.909,1066 6.179,1067 8.698,1068 1.289,1069 10.891,1070 3.184,1071 6.648,1072 7.129,1073 3.181,1074 12.959,1075 6.551,1076 10.026,1077 1.213,1078 12.67,1079 2.924,1080 8.159,1081 8.868,1082 4.315,1083 15.621,1084 8.058,1085 11.381,1086 1,1087 14.493,1088 2.579,1089 9,1090 9.679,1091 4.656,1092 18.027,1093 8.865,1094 12.759,1095 0.918,1096 16.349,1097 2.275,1098 10.31,1099 11.222,1100 5.602,1101 20.606,1102 10.166,1103 3.445,1104 0.553,1105 18.232,1106 1.912,1107 11.365,1108 12.221,1109 6.091,1110 23.125,1111 11.193,1112 2.797,1113 13.021,1114 20.136,1115 1.17,1116 12.606,1117 13.669,1118 6.927,1119 25.691,1120 12.421,1121 2.548,1122 8.246,1123 22.057,1124 3.691,1125 13.758,1126 14.772,1127 7.501,1128 28.243,1129 13.55,1130 2.516,1131 7.884,1132 23.991,1133 3.445,1134 14.982,1135 16.167,1136 8.273,1137 30.808,1138 14.758,1139 2.085,1140 7.244,1141 25.936,1142 3.012,1143 16.177,1144 17.332,1145 8.894,1146 33.37,1147 15.933,1148 2,1149 6.076,1150 27.889,1151 2.605,1152 17.4,1153 18.694,1154 9.631,1155 35.935,1156 17.139,1157 2,1158 6.076,1159 29.849,1160 2.548,1161 18.616,1162 19.899,1163 10.279,1164 38.5,1165 18.336,1166 27814,1167 34468,1168 26.405,1169 54.507,1170 56.149,1171 57.287,1172 57.982,1173 55.67,1174 55.666,1175 61.044,1176 7.022,1177 151.918,1178 54.865,1179 5.445,1180 5.614,1181 7.228,1182 5.442,1183 5.445,1184 6.691,1185 3.497,1186 19.837,1187 5.382,1188 15.395,1189 1.44,1190 1.469,1191 1.487,1192 1.427,1193 1.427,1194 1.565,1195 0.18,1196 3.895,1197 1.407,1198 4.084,1199 4.132,1200 3.977,1201 3.994,1202 7.429,1203 3.984,1204 3.955,1205 3.992,1206 3.887,1207 3.878,1208 4.747,1209 3.875,1210 3.819,1211 3.881,1212 3.661,1213 3.702,1214 4.501,1215 3.682,1216 3.716,1217 3.785,1218 3.571,1219 3.575,1220 4.252,1221 3.559,1222 3.607,1223 3.676,1224 3.472,1225 3.426,1226 4.203,1227 3.425,1228 3.507,1229 3.584,1230 3.346,1231 3.324,1232 4.17,1233 3.325,1234 3.404,1235 3.488,1236 3.239,1237 3.206,1238 4.071,1239 3.2,1240 3.303,1241 3.376,1242 3.137,1243 3.112,1244 3.908,1245 3.109,1246 0.114,1247 0.093,1248 0.186,1249 0.114,1250 0.088,1251 4.445,1252 0.095,1253 3.614,1254 0.051,1255 7.271,1256 0.334,1257 4.427,1258 0.087,1259 3.445,1260 3.691,1261 1.987,1262 13.021,1263 3.382,1264 2.065,1265 2.022,1266 2.235,1267 2.18,1268 1.701,1269 2.201,1270 1.93,1271 1.901,1272 2.074,1273 2.036,1274 1.439,1275 2.043,1276 1.826,1277 1.765,1278 2.046,1279 1.981,1280 1.335,1281 2.014,1282 1.728,1283 1.663,1284 1.982,1285 1.905,1286 1.195,1287 1.933,1288 1.587,1289 1.518,1290 1.85,1291 1.802,1292 1.167,1293 1.818,1294 1.487,1295 1.417,1296 1.753,1297 1.716,1298 0.991,1299 1.736,1300 1.39,1301 1.307,1302 1.682,1303 1.626,1304 0.947,1305 1.649,1306 1.288,1307 1.216,1308 1.562,1309 1.515,1310 0.947,1311 1.535,1312 4.369,1314 5.659,1316 7.149,1318 8.759,1320 10.445,1322 4.063,1328 24.969,1329 7.146,1332 3.165,1333 2.075,1334 0.551,1340 48.949,1341 108.006,1342 224.52,1343 331.811,1344 405.282,1345 429.772,1346 450.791,1347 72.68,1348 7.81,1349 44.37,1350 44.37,1351 24,1352 12.645,1353 3,1354 2.322,1355 63.328,1356 274,1357 212,1358 0.105,1359 300.821,1360 533.05,1361 725.764,1362 38111,1364 25.219,1365 0.701,1366 0.648,1367 25.219,1368 23.332,1369 17.512,1370 0.449,1371 0.392,1372 15.201,1373 17.185,1374 14.769,1375 12.343,1376 17.512,1377 15.293,1378 15.565,1379 0.299,1380 0.245,1381 15.565,1382 12.748,1383 11.889,1384 0.189,1385 0.147,1386 11.889,1387 9.281,1388 10.134,1389 0.122,1390 0.093,1391 10.134,1392 7.733,1393 7.88,1394 0.076,1395 0.056,1396 7.88,1397 5.872,1398 0.183,1399 107.272,1400 0.195,1401 35.374,1402 0.247,1403 182,1404 318.046,1405 189.737,1406 316.315,1407 434.98,1408 298,1409 206,1410 315.129,1411 213.323,1412 326.439,1413 468.26,1414 306,1415 4}
{0 CHEMBL157410,1 1.136,2 7.882,3 3.55,4 12.603,5 74.613,6 5.984,7 0.316,8 3.695,9 3.834,10 3.103,11 3.291,12 4.527,13 3.211,14 4.304,15 4.516,16 3.429,17 3.732,18 5.026,19 3.617,20 4.587,21 4.833,22 3.355,23 3.882,24 5.23,25 3.696,26 4.7,27 5.017,28 3.1,29 3.792,30 5.219,31 3.543,32 4.453,33 4.775,34 2.931,35 3.547,36 4.97,37 3.316,38 4.229,39 4.515,40 2.868,41 3.419,42 4.814,43 3.21,44 4.148,45 4.453,46 2.777,47 3.285,48 4.751,49 3.086,50 3.897,51 4.159,52 2.5,53 3.103,54 4.587,55 2.885,56 0.046,57 0.52,58 9.398,59 3.984,60 5.789,61 5.753,62 0.105,63 0.911,64 17.051,65 6.782,66 9.359,67 9.981,68 0.11,69 1.131,70 21.905,71 9.401,72 11.984,73 13.54,74 0.11,75 1.16,76 23.535,77 10.261,78 12.835,79 14.738,80 0.093,81 0.906,82 18.367,83 7.826,84 10.065,85 11.316,86 0.071,87 0.752,88 14.902,89 6.431,90 8.228,91 9.263,92 0.08,93 0.69,94 13.745,95 5.528,96 8.818,97 8.131,98 0.052,99 0.548,100 10.754,101 4.579,102 8.351,103 6.621,104 2,105 26,106 0.208,107 0.539,108 0.774,109 0.813,110 0.823,111 0.823,112 2.908,113 1.069,114 -4.91,115 -4.81,116 -4.51,121 42.1,123 4,124 1,126 1,127 2,137 1,138 1,144 4,145 2,176 14,180 2,187 19,192 1,200 15,206 1,214 12,219 1,227 8,232 2,239 6,244 2,251 4,256 2,269 2,281 290,282 11.671,283 11.671,284 11.671,285 11.671,286 11.671,287 10.712,288 14.295,289 7.003,290 11.786,291 9.421,292 9.421,293 9.421,294 9.421,295 9.421,296 7.995,297 17.023,298 3.396,299 9.591,300 4.112,301 2.306,302 1.02,303 0.809,304 0.757,305 0.757,306 3.59,311 1,312 1,313 295,314 1.871,317 31.688,318 92.681,321 62.606,325 1.197,326 3.874,328 1,329 1,330 1,331 1,332 0.9,333 0.5,334 1,335 1,336 0.91,337 34.5,338 134,339 4.347,340 3.254,341 6.248,342 3.994,343 2.994,344 3.948,345 0.962,346 9.498,347 2.994,348 3.698,349 2.807,350 5.522,351 3.599,352 2.621,353 2.882,354 0.8,355 7.467,356 2.57,357 3.435,358 2.511,359 5.068,360 3.166,361 2.211,362 2.518,364 6.131,365 2.11,366 3.016,367 2.033,368 4.759,369 2.823,370 1.844,371 2.069,373 5.26,374 1.795,375 2.893,376 1.683,377 4.414,378 2.532,379 1.532,380 2.03,382 4.312,383 1.532,384 2.785,385 1.407,386 3.603,387 2.355,388 1.356,389 1.856,391 2.947,392 1.355,393 2,394 1.077,395 3.414,396 1.984,397 1,398 1,400 2.275,401 0.983,402 1.668,403 0.539,404 3,405 1.347,406 0.347,407 0.437,409 0.86,410 0.347,411 1.23,412 0.315,413 2.912,414 1.148,415 0.162,416 0.169,418 0.393,419 0.16,420 0.677,421 -0.204,422 2,423 0.486,424 -0.493,425 -0.523,427 -1.247,428 -0.481,429 0.544,430 -0.73,431 2,432 0.129,433 -0.863,434 -1,436 -2.127,437 -0.855,438 0.396,439 -0.784,440 2,442 -1,443 -1.095,445 -2.625,446 -0.946,448 -0.888,449 1.602,450 -0.049,451 -1,452 -1.353,454 -3,455 -1,456 -0.215,457 -1.032,458 1.586,459 -0.33,460 -1.284,461 -1.489,463 -3.15,464 -1.221,465 -0.442,466 -1.374,467 1.165,468 -0.602,469 -1.583,470 -1.765,472 -4.401,473 -1.563,474 8.4,475 0.494,476 0.362,477 0.021,478 17.75,479 1.044,480 7.5,481 0.441,482 10.25,483 0.603,484 14.818,485 0.872,486 18.6,487 0.489,488 8.781,489 0.517,490 3.165,491 0.186,492 5.144,493 0.303,494 0.06,496 0.286,501 1.021,502 1.274,503 1.014,504 1.125,505 0.951,506 1.079,507 1.826,508 0.962,509 1.098,510 0.946,511 0.97,512 0.982,513 1.125,514 1.145,515 1.217,516 1.198,517 1.045,518 1.209,519 0.612,520 0.926,521 0.927,522 0.967,523 0.808,524 0.961,525 0.746,526 0.819,527 0.841,528 0.843,529 0.838,530 0.846,531 0.677,532 1.078,533 0.989,534 1.067,535 0.947,536 1.047,537 1.194,538 0.902,539 0.91,540 0.87,541 1.018,542 0.876,543 0.882,544 1.373,545 1.246,546 1.347,547 1.586,548 1.319,549 3.5,550 0.02,551 1.333,552 1.042,553 0.564,554 0.303,555 0.258,556 0.065,557 0.11,558 0.047,559 2624,560 4264,561 2.163,562 55.3,563 5,564 12,569 4,572 1.564,573 2.082,574 3.012,575 -0.923,577 1,579 1,582 43.183,583 1.136,584 2.942,585 4.228,586 4.439,587 4.491,588 4.491,589 2.469,590 3.382,591 4.061,592 3.091,593 420.437,594 6.838,595 3781.31,596 1,597 1,599 1,600 199.421,601 1.166,602 4.043,603 0.184,604 0.01,605 0.051,606 0.047,607 0.035,608 0.022,609 0.02,610 0.005,611 0.014,612 0.012,613 0.4,614 0.83,615 1,616 0.481,617 70.677,618 0.149,619 -0.093,620 0.079,621 -0.004,622 0.145,623 0.027,624 -0.228,625 0.169,626 -0.034,627 0.079,628 0.013,629 0.04,630 -0.197,631 -0.125,632 -0.223,633 -0.184,634 -0.133,635 -0.201,636 0.029,637 -0.022,638 0.005,639 -0.01,640 0.016,641 -0.005,642 0.047,643 0.092,644 0.097,645 0.102,646 0.015,647 0.102,648 0.063,649 -0.129,650 -0.031,651 -0.085,652 -0.047,653 -0.066,654 0.003,655 0.061,656 0.062,657 0.069,658 0.02,659 0.068,660 -0.04,661 -0.395,662 -0.273,663 -0.356,664 -0.319,665 -0.33,666 0.41,667 0.453,668 0.882,669 10.651,670 0.972,671 1.122,672 3.676,673 13.515,674 0.648,675 2.996,676 3.296,677 3.526,678 3.784,679 3.97,680 3.912,681 4.025,682 4.094,683 4.007,684 4.078,685 4.712,686 0.587,687 227.38,688 2.996,689 4.511,690 5.342,691 6.205,692 7.054,693 7.92,694 8.777,695 9.644,696 10.506,697 11.374,698 2.6,701 1,715 4,720 2,722 6,741 38,743 7,744 1,745 19,747 40,748 16,749 6,750 2,751 4,752 2,756 3,757 4,767 3,768 1,770 4,772 8,773 8,774 1,777 1,784 1,786 1,790 1,793 21,794 1,796 1,802 1,808 0.667,828 1,829 2,832 1,849 1,850 1,855 1,859 2,864 1,868 17,876 6,880 1,881 1,901 8.167,902 6.95,903 3.694,904 2.504,907 1.557,908 1.244,909 0.989,910 3.023,911 7.951,912 3.178,913 3.676,914 4.139,915 4.672,916 5.1,917 5.185,918 5.506,919 5.779,920 5.516,921 5.724,922 1,923 22,924 6.335,926 2.65,927 0.026,929 7.225,931 13.039,933 11.298,936 1.725,937 29.333,938 0.01,941 247.193,942 79.684,943 3.124,948 79.684,949 247.193,950 3.124,951 8.396,952 14.35,953 47.381,955 12.681,957 247.193,959 247.193,960 82.808,964 200.109,965 47.084,968 17.474,969 55.858,970 9.476,972 247.193,973 3.124,974 79.684,977 247.193,978 23.906,979 58.902,982 247.193,983 3.124,984 79.684,986 0.577,987 0.325,988 0.175,989 0.098,990 14,991 5,992 0.05,993 2,994 1,995 1.133,996 3.091,997 117.94,998 0.133,999 15,1000 65.487,1005 11.038,1006 4.657,1007 2.445,1009 3.124,1010 8.823,1015 2.978,1018 330.001,1019 23,1026 2.424,1028 1.653,1031 36.938,1032 42.65,1034 0.217,1035 0.561,1036 0.806,1037 0.846,1038 0.856,1039 0.856,1040 4.413,1041 0.347,1042 5.303,1043 2.275,1044 3.97,1045 4.357,1046 1.338,1047 6.052,1048 3.941,1049 5.562,1050 0.162,1051 6.815,1052 0.86,1053 3.434,1054 3.951,1055 0.325,1056 6.763,1057 3.38,1058 6.83,1059 -0.493,1060 8.418,1061 0.393,1062 5.501,1063 6.367,1064 1.154,1065 9.835,1066 5.451,1067 8.128,1068 -0.863,1069 10.076,1070 -1.247,1071 5.771,1072 6.797,1073 0.268,1074 11.391,1075 5.71,1076 9.46,1077 -1,1078 11.769,1079 -2.127,1080 7.296,1081 8.703,1082 1.048,1083 13.944,1084 7.236,1085 10.817,1086 -1,1087 13.487,1088 -2.625,1089 7.967,1090 9.568,1091 0.188,1092 15.881,1093 7.907,1094 12.193,1095 -1.284,1096 15.224,1097 -3,1098 9.248,1099 11.23,1100 0.968,1101 18.24,1102 9.187,1103 2.994,1104 -1.583,1105 16.976,1106 -3.15,1107 10.124,1108 12.329,1109 0.125,1110 20.351,1111 10.069,1112 2.621,1113 9.498,1114 18.74,1115 -4.401,1116 11.292,1117 13.862,1118 0.9,1119 22.636,1120 11.236,1121 2.211,1122 7.467,1123 20.515,1124 3.948,1125 12.273,1126 15.086,1127 0.082,1128 24.824,1129 12.224,1130 1.844,1131 6.131,1132 22.298,1133 2.882,1134 13.391,1135 16.548,1136 0.842,1137 27.083,1138 13.342,1139 1.532,1140 5.26,1141 24.088,1142 2.518,1143 14.424,1144 17.839,1145 0.054,1146 29.305,1147 14.381,1148 1.356,1149 4.312,1150 25.884,1151 2.069,1152 15.522,1153 19.262,1154 0.789,1155 31.556,1156 15.479,1157 1,1158 2.947,1159 27.685,1160 2.03,1161 16.582,1162 20.59,1163 0.035,1164 33.792,1165 16.544,1166 2517,1167 3253,1168 13.118,1169 24.62,1170 28.351,1171 28.185,1172 28.619,1173 28.18,1174 28.138,1175 33.817,1176 3.523,1177 78.286,1178 27.69,1179 5.347,1180 5.254,1181 5.931,1182 5.029,1183 4.994,1184 6.948,1185 1.923,1186 15.762,1187 4.994,1188 5.042,1189 1.492,1190 1.483,1191 1.506,1192 1.483,1193 1.481,1194 1.78,1195 0.185,1196 4.12,1197 1.457,1198 4.043,1199 4.073,1200 3.977,1201 3.994,1202 4.797,1203 3.987,1204 3.849,1205 3.909,1206 3.726,1207 3.721,1208 4.377,1209 3.713,1210 3.486,1211 3.546,1212 3.367,1213 3.374,1214 4.19,1215 3.365,1216 3.23,1217 3.316,1218 3.047,1219 3.04,1220 3.803,1221 3.03,1222 3.111,1223 3.206,1224 2.866,1225 2.941,1226 3.676,1227 2.91,1228 2.926,1229 2.999,1230 2.772,1231 2.815,1232 3.474,1233 2.797,1234 2.84,1235 2.938,1236 2.578,1237 2.656,1238 3.343,1239 2.623,1240 2.502,1241 2.619,1242 2.245,1243 2.307,1244 3.024,1245 2.279,1246 0.229,1247 0.171,1248 0.329,1249 0.21,1250 0.158,1251 4.347,1252 0.208,1253 3.254,1254 0.051,1255 6.248,1256 0.5,1257 3.994,1258 0.158,1259 2.994,1260 3.948,1261 0.962,1262 9.498,1263 2.994,1264 1.888,1265 1.862,1266 2.083,1267 2.04,1268 1.469,1269 2.058,1270 1.876,1271 1.825,1272 1.997,1273 1.95,1274 1.141,1275 1.968,1276 1.577,1277 1.525,1278 1.781,1279 1.729,1280 1.036,1281 1.751,1282 1.235,1283 1.144,1284 1.57,1285 1.468,1286 0.825,1287 1.508,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.738,1293 1.429,1294 1.013,1295 0.959,1296 1.313,1297 1.182,1298 0.509,1299 1.231,1300 0.884,1301 0.797,1302 1.215,1303 1.1,1304 0.353,1305 1.146,1306 0.722,1307 0.631,1308 1.071,1309 0.941,1310 0.201,1311 0.99,1312 3.664,1314 4.963,1315 2.398,1316 6.45,1317 4.727,1318 8.019,1319 6.823,1320 9.628,1322 2.237,1328 7.842,1332 0.923,1333 2.453,1340 22.289,1341 43.183,1342 111.812,1343 160.666,1344 168.666,1345 170.666,1346 170.666,1347 17.368,1348 6.394,1349 3.24,1350 3.24,1351 17,1352 11.92,1353 3,1354 2.322,1355 23.891,1356 48,1357 46,1358 0.25,1359 137.152,1360 237.82,1361 326.412,1362 4427,1364 11.665,1365 0.686,1366 0.627,1367 11.665,1368 10.654,1369 8.31,1370 0.437,1371 0.356,1372 6.734,1373 8.196,1374 6.506,1375 5.412,1376 8.31,1377 6.77,1378 7.504,1379 0.289,1380 0.216,1381 7.504,1382 5.629,1383 6.141,1384 0.186,1385 0.128,1386 6.141,1387 4.221,1388 5.086,1389 0.118,1390 0.073,1391 5.086,1392 3.12,1393 4.178,1394 0.08,1395 0.046,1396 4.178,1397 2.376,1398 0.387,1399 50.555,1400 0.276,1401 17.251,1402 0.694,1403 90,1404 155.645,1405 91.748,1406 159.934,1407 226.51,1408 152,1409 104,1410 167.761,1411 106.165,1412 177.457,1413 256.33,1414 166,1415 5.357}
{0 CHEMBL158174,1 1.127,2 7.067,3 3.559,4 12.665,5 66.332,6 5.649,7 0.375,8 3.618,9 3.767,10 2.958,11 3.173,12 4.44,13 3.082,14 4.219,15 4.451,16 3.249,17 3.575,18 4.916,19 3.447,20 4.497,21 4.755,22 3.234,23 3.743,24 5.139,25 3.556,26 4.618,27 4.936,28 2.975,29 3.659,30 5.168,31 3.404,32 4.448,33 4.799,34 2.85,35 3.44,36 4.957,37 3.211,38 4.071,39 4.324,40 2.733,41 3.343,42 4.728,43 3.134,44 4.199,45 4.531,46 2.404,47 3.23,48 4.721,49 2.946,50 3.849,51 4.202,52 1.938,53 2.81,54 4.348,55 2.507,56 0.046,57 0.492,58 9.049,59 3.732,60 5.585,61 5.482,62 0.1,63 0.821,64 15.752,65 6.023,66 9.031,67 9.085,68 0.111,69 1.018,70 19.994,71 8.107,72 11.67,73 11.97,74 0.118,75 1.036,76 21.198,77 8.519,78 13.76,79 12.628,80 0.117,81 0.842,82 17.51,83 6.634,84 11.114,85 10.037,86 0.056,87 0.649,88 12.77,89 5.692,90 7.878,91 8.123,92 0.06,93 0.646,94 13.395,95 5.936,96 8.711,97 8.491,98 0.042,99 0.433,100 9.148,101 4.018,102 6.688,103 5.766,104 5,105 21,106 0.212,107 0.494,108 0.744,109 0.776,110 0.797,111 0.807,112 2.794,113 1.129,114 -4.49,115 -4.42,116 -4.16,121 38.9,122 2,123 2,124 1,127 3,144 4,145 2,176 10,180 3,187 11,192 3,200 5,206 4,214 3,219 1,227 5,239 9,251 7,264 4,277 1,281 206,282 10.069,283 10.069,284 10.069,285 10.069,286 10.069,287 9.265,288 11.084,289 6.098,290 10.176,291 7.894,292 7.894,293 7.894,294 7.894,295 7.894,296 6.783,297 13.276,298 2.925,299 8.065,300 4.043,301 2.541,302 1.209,303 1.042,304 0.931,305 0.875,306 3.444,311 1,312 1,313 221,314 1.732,318 94.569,325 1.013,326 3.799,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 30.5,338 106,339 4.177,340 3.126,341 6.063,342 3.835,343 2.851,344 3.779,345 0.916,346 8.757,347 2.812,348 3.585,349 2.723,350 5.372,351 3.511,352 2.539,353 2.605,354 0.172,355 6.978,356 2.471,357 3.108,358 2.191,359 4.884,360 3.016,361 2.057,362 2.172,364 5.661,365 1.962,366 2.867,367 1.649,368 4.129,369 2.414,370 1.414,371 2.017,373 3.67,374 1.414,375 2.769,376 1.471,377 3.598,378 2.407,379 1.414,380 1.846,382 2.966,383 1.402,384 2,385 1.077,386 3.414,387 1.984,388 1,389 1,391 2.275,392 0.983,393 1.456,394 0.522,395 2.91,396 1.279,397 0.298,398 0.332,400 0.695,401 0.292,402 0.96,403 0.006,404 2,405 0.811,406 -0.181,407 -0.198,409 -0.383,410 -0.179,411 0.659,412 -0.444,413 2,414 0.336,415 -0.653,416 -0.764,418 -1.544,419 -0.644,420 0.243,421 -0.784,422 2,423 -0.021,424 -1,425 -1,427 -2.513,428 -0.946,430 -0.901,431 1.641,432 -0.049,433 -1,434 -1.221,436 -3,437 -0.977,438 -0.11,439 -1.247,440 1.249,441 -0.414,442 -1.414,443 -1.544,445 -3.436,446 -1.408,447 -0.362,448 -1.344,449 1.036,450 -0.418,451 -1.414,452 -1.889,454 -3.46,455 -1.414,456 -0.5,457 -1.592,458 0.807,459 -0.956,460 -1.911,461 -2,463 -5.275,464 -1.831,465 -0.852,466 -1.893,467 0.586,468 -1,469 -2,470 -2.136,471 -0.4,472 -5.293,473 -1.936,474 7.4,475 0.493,476 0.332,477 0.022,478 14.75,479 0.983,480 6,481 0.4,482 8.75,483 0.583,484 13.379,485 0.892,486 17.2,487 0.478,488 7.029,489 0.469,490 2.597,491 0.173,492 4.657,493 0.31,494 0.135,496 0.257,501 1.07,502 1.409,503 1.11,504 1.244,505 1.163,506 1.191,507 1.813,508 1.064,509 1.113,510 0.997,511 0.938,512 1.019,513 1.276,514 1.221,515 1.207,516 1.203,517 1.001,518 1.202,519 0.943,520 1.109,521 1.017,522 1.067,523 0.913,524 1.049,525 1.45,526 0.587,527 0.761,528 0.593,529 0.847,530 0.636,531 0.774,532 1.213,533 1.257,534 1.303,535 1.37,536 1.302,537 0.434,538 0.929,539 0.932,540 0.998,541 1.015,542 0.989,543 0.381,544 0.815,545 0.817,546 0.875,547 0.837,548 0.868,549 3,551 1.556,552 0.625,553 0.764,554 0.181,555 0.18,556 0.17,557 0.037,558 0.016,559 1652,560 2513,561 2.032,562 58.3,563 7,564 10,569 4,572 1.527,573 1.915,574 2.859,575 -0.912,579 1,582 40.576,583 1.127,584 2.629,585 3.961,586 4.128,587 4.239,588 4.295,589 2.257,590 3.323,591 3.882,592 2.916,593 306.13,594 6.487,595 2516.8,597 1,600 186.117,601 1.338,602 3.843,603 0.188,605 0.074,606 0.033,607 0.059,608 0.014,609 0.016,610 0.024,611 0.009,612 0.016,613 0.433,614 0.83,615 1,616 0.648,617 58.934,618 0.153,619 -0.146,620 0.059,621 -0.042,622 0.019,623 -0.004,624 -0.139,625 0.09,626 -0.011,627 0.05,628 0.058,629 0.03,630 -0.12,631 -0.16,632 -0.176,633 -0.177,634 -0.069,635 -0.179,636 0.034,637 -0.177,638 -0.07,639 -0.13,640 -0.009,641 -0.109,642 -0.066,643 0.323,644 0.18,645 0.275,646 0.079,647 0.245,648 -0.171,649 -0.184,650 -0.259,651 -0.239,652 -0.319,653 -0.25,654 0.016,655 -0.056,656 -0.035,657 -0.051,658 -0.077,659 -0.046,660 0.069,661 0.014,662 0.053,663 0.034,664 0.126,665 0.041,666 0.405,667 0.586,668 0.8,669 8.018,670 0.97,671 1.129,672 3.261,673 10.635,674 0.628,675 2.833,676 3.091,677 3.258,678 3.401,679 3.611,680 3.367,681 3.332,682 3.401,683 3.219,684 2.944,685 4.231,686 0.564,687 203.36,688 2.833,689 4.317,690 5.118,691 5.948,692 6.767,693 7.598,694 8.424,695 9.255,696 10.084,697 10.915,698 2.8,701 1,715 4,720 2,722 6,741 36,743 6,744 1,745 16,747 37,748 14,749 6,750 2,751 4,756 2,757 2,763 2,767 2,768 1,770 2,772 6,773 8,774 1,790 1,793 21,794 1,796 1,802 1,808 1,829 2,855 1,859 2,864 2,868 15,876 5,880 1,881 1,901 7.833,902 6.867,903 3.361,904 2.404,907 1.149,908 1.202,909 0.942,910 3.423,911 6.829,912 2.996,913 3.45,914 3.845,915 4.232,916 4.659,917 4.394,918 4.425,919 4.632,920 4.662,921 4.611,922 0.8,923 19,924 5.584,925 -0.001,926 2.233,927 0.026,929 7.244,931 11.447,933 9.468,936 1.744,937 26.167,938 0.017,941 247.193,942 73.313,943 3.124,948 73.313,949 247.193,950 3.124,951 17.65,952 11.386,953 37.905,955 9.495,957 247.193,959 247.193,960 76.437,964 200.109,965 47.084,968 32.161,969 44.276,972 247.193,973 3.124,974 73.313,977 247.193,978 17.757,979 58.68,982 247.193,983 3.124,984 73.313,986 0.571,987 0.319,988 0.157,989 0.092,990 10,991 4,992 0.054,993 2,995 1,996 2.792,997 92.524,999 12,1000 52.603,1005 10.691,1006 4.803,1007 2.819,1009 3.124,1010 8.737,1015 2.92,1018 323.63,1019 19,1031 34.938,1032 40.65,1034 0.218,1035 0.508,1036 0.766,1037 0.798,1038 0.82,1039 0.831,1040 4.197,1041 -0.181,1042 5.069,1043 0.695,1044 3.761,1045 4.127,1046 0.918,1047 5.771,1048 3.72,1049 5.324,1050 -0.653,1051 6.564,1052 -0.383,1053 3.219,1054 3.689,1055 0.325,1056 6.447,1057 3.152,1058 6.57,1059 -1,1060 8.155,1061 -1.544,1062 5.252,1063 6.092,1064 0.671,1065 9.466,1066 5.168,1067 7.843,1068 -1,1069 9.8,1070 -2.513,1071 5.485,1072 6.461,1073 0.393,1074 10.948,1075 5.382,1076 9.15,1077 -1.414,1078 11.48,1079 -3,1080 6.997,1081 8.387,1082 0.533,1083 13.462,1084 6.876,1085 10.479,1086 -1.414,1087 13.185,1088 -3.436,1089 7.609,1090 9.173,1091 0.384,1092 15.296,1093 7.477,1094 11.827,1095 -1.911,1096 14.907,1097 -3.46,1098 8.877,1099 10.86,1100 0.438,1101 17.611,1102 8.727,1103 2.851,1104 -2,1105 16.643,1106 -5.275,1107 9.688,1108 11.871,1109 0.351,1110 19.615,1111 9.529,1112 2.539,1113 8.757,1114 18.389,1115 -5.293,1116 10.835,1117 13.423,1118 0.366,1119 21.844,1120 10.66,1121 2.057,1122 6.978,1123 20.144,1124 3.779,1125 11.75,1126 14.56,1127 0.312,1128 23.931,1129 11.566,1130 1.414,1131 5.661,1132 21.905,1133 2.605,1134 12.839,1135 16.029,1136 0.309,1137 26.123,1138 12.639,1139 1.414,1140 3.67,1141 23.672,1142 2.172,1143 13.81,1144 17.241,1145 0.273,1146 28.251,1147 13.601,1148 1,1149 2.966,1150 25.444,1151 2.017,1152 14.87,1153 18.658,1154 0.262,1155 30.429,1156 14.648,1157 0.298,1158 2.275,1159 27.22,1160 1.846,1161 15.872,1162 19.914,1163 0.236,1164 32.577,1165 15.639,1166 1687,1167 2123,1168 10.633,1169 22.62,1170 23.299,1171 23.278,1172 23.988,1173 23.154,1174 23.145,1175 27.503,1176 2.178,1177 62.004,1178 22.671,1179 5.177,1180 5.126,1181 5.75,1182 4.87,1183 4.851,1184 6.779,1185 1.605,1186 14.856,1187 4.812,1188 6.243,1189 1.456,1190 1.455,1191 1.499,1192 1.447,1193 1.447,1194 1.719,1195 0.136,1196 3.875,1197 1.417,1198 3.973,1199 4.017,1200 3.892,1201 3.897,1202 4.745,1203 3.891,1204 3.821,1205 3.873,1206 3.695,1207 3.705,1208 4.337,1209 3.694,1210 3.326,1211 3.414,1212 3.158,1213 3.14,1214 3.924,1215 3.133,1216 3.169,1217 3.257,1218 2.962,1219 3.02,1220 3.881,1221 2.995,1222 3.111,1223 3.206,1224 2.866,1225 2.941,1226 3.616,1227 2.91,1228 2.982,1229 3.076,1230 2.763,1231 2.823,1232 3.474,1233 2.796,1234 2.683,1235 2.783,1236 2.417,1237 2.485,1238 3.29,1239 2.455,1240 2.503,1241 2.629,1242 2.183,1243 2.257,1244 3.001,1245 2.222,1246 0.261,1247 0.195,1248 0.379,1249 0.24,1250 0.178,1251 4.177,1252 0.236,1253 3.126,1254 0.057,1255 6.063,1256 0.547,1257 3.835,1258 0.176,1259 2.851,1260 3.779,1261 0.916,1262 8.757,1263 2.812,1264 1.951,1265 1.918,1266 2.102,1267 2.068,1268 1.443,1269 2.083,1270 1.828,1271 1.773,1272 2.025,1273 1.96,1274 1.199,1275 1.985,1276 1.32,1277 1.238,1278 1.623,1279 1.554,1280 0.825,1281 1.584,1282 1.207,1283 1.126,1284 1.552,1285 1.418,1286 0.822,1287 1.469,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.609,1293 1.429,1294 1.024,1295 0.937,1296 1.385,1297 1.248,1298 0.562,1299 1.302,1300 0.717,1301 0.62,1302 1.083,1303 0.956,1304 0.246,1305 1.005,1306 0.545,1307 0.423,1308 1.007,1309 0.844,1310 0.113,1311 0.907,1312 3.497,1314 4.762,1316 6.229,1318 7.779,1320 9.365,1322 4.576,1328 6.419,1332 0.929,1333 2.586,1340 20.289,1341 40.576,1342 94.63,1343 142.608,1344 148.608,1345 152.608,1346 154.608,1347 16.264,1348 5.68,1349 3.24,1350 3.24,1351 12,1352 11.487,1353 2.807,1354 2,1355 23.675,1356 38,1357 35,1358 0.319,1359 128.289,1360 218.22,1361 304.784,1362 1690,1364 10.673,1365 0.712,1366 0.658,1367 10.673,1368 9.869,1369 7.254,1370 0.453,1371 0.376,1372 5.992,1373 7.151,1374 5.729,1375 4.832,1376 7.254,1377 6.023,1378 6.383,1379 0.304,1380 0.233,1381 6.383,1382 4.885,1383 5.061,1384 0.202,1385 0.141,1386 5.061,1387 3.531,1388 3.736,1389 0.129,1390 0.078,1391 3.736,1392 2.249,1393 3.171,1394 0.088,1395 0.05,1396 3.171,1397 1.794,1398 0.486,1399 44.136,1400 0.307,1401 15.285,1402 0.903,1403 74,1404 127.645,1405 76.082,1406 130.755,1407 183.1,1408 124,1409 83,1410 134.113,1411 85.664,1412 141.501,1413 201.97,1414 132,1415 8}
{0 CHEMBL158232,1 1.141,2 7,3 3.073,4 9.441,5 61.291,6 5.737,7 0.4,8 3.537,9 3.684,10 2.896,11 3.096,12 4.365,13 3.01,14 4.133,15 4.358,16 3.164,17 3.493,18 4.844,19 3.365,20 4.43,21 4.698,22 3.094,23 3.634,24 5.048,25 3.435,26 4.498,27 4.831,28 2.805,29 3.496,30 5.006,31 3.237,32 4.227,33 4.567,34 2.691,35 3.263,36 4.758,37 3.04,38 3.912,39 4.179,40 2.542,41 3.153,42 4.563,43 2.941,44 3.913,45 4.238,46 2.225,47 2.981,48 4.466,49 2.715,50 3.508,51 3.832,52 1.725,53 2.556,54 4.083,55 2.273,56 0.042,57 0.453,58 8.259,59 3.39,60 5.171,61 4.98,62 0.095,63 0.759,64 14.477,65 5.465,66 8.574,67 8.265,68 0.106,69 0.936,70 18.521,71 7.415,72 10.87,73 10.985,74 0.109,75 0.901,76 18.701,77 7.416,78 11.391,79 11.031,80 0.09,81 0.687,82 14.233,83 5.548,84 9.082,85 8.295,86 0.049,87 0.542,88 10.753,89 4.753,90 7.086,91 6.8,92 0.045,93 0.491,94 10.185,95 4.515,96 7.152,97 6.457,98 0.03,99 0.32,100 6.688,101 2.955,102 5.52,103 4.232,104 2,105 19,106 0.219,107 0.5,108 0.706,109 0.75,110 0.766,111 0.766,112 2.731,113 1.121,114 -4.23,115 -4.17,116 -3.94,121 39.4,122 1,123 2,124 1,127 3,144 5,145 1,176 9,180 3,187 9,192 3,200 3,206 3,214 2,219 1,227 5,239 7,251 6,264 3,277 1,281 168,282 9.569,283 9.569,284 9.569,285 9.569,286 9.569,287 8.817,288 10.227,289 5.956,290 9.676,291 7.433,292 7.433,293 7.433,294 7.433,295 7.433,296 6.399,297 13.229,298 2.895,299 7.605,300 3.904,301 2.44,302 1.367,303 1.137,304 1.053,305 1.053,306 3.383,311 1,312 1,313 206,314 1.581,318 87.796,325 1,326 3.41,329 1,330 0.83,331 0.83,332 0.9,333 1,334 1,335 1,336 0.94,337 28.5,338 98,339 3.94,340 3.014,341 5.598,342 3.67,343 2.709,344 3.456,345 0.916,346 7.739,347 2.611,348 3.553,349 2.524,350 5.166,351 3.41,352 2.414,353 2.593,354 0.172,355 6.457,356 2.402,357 3.091,358 2.126,359 4.813,360 2.958,361 2,362 2.17,364 5.476,365 1.906,366 2.804,367 1.512,368 3.587,369 2.409,370 1.414,371 1.884,373 3.033,374 1.405,375 2.5,376 1.077,377 3.414,378 2,379 1,380 1.5,382 2.275,383 1,384 2,385 1,386 3.247,387 1.984,388 1,389 1,391 2.136,392 0.983,393 1.303,394 0.378,395 2.816,396 1.169,397 0.194,398 0.208,400 0.459,401 0.189,402 0.77,403 -0.26,404 2,405 0.576,406 -0.414,407 -0.46,409 -0.93,410 -0.41,411 0.5,412 -0.784,413 1.873,415 -1,416 -1,418 -2.347,419 -0.946,420 0.24,421 -0.881,422 1.555,423 -0.024,424 -1,425 -1.169,427 -2.375,428 -0.972,430 -1,431 1.4,432 -0.049,433 -1,434 -1.5,436 -3,437 -1,438 -0.355,439 -1.342,440 0.961,441 -0.418,442 -1.414,443 -1.547,445 -3.369,446 -1.408,447 -0.5,448 -1.591,449 0.786,450 -0.949,451 -1.903,452 -2,454 -4.789,455 -1.823,456 -0.844,457 -1.893,458 0.586,459 -1,460 -2,461 -2.136,462 -0.4,463 -5.275,464 -1.936,465 -1,466 -2,467 0.198,468 -1.035,469 -2,470 -3,471 -0.689,472 -5.491,473 -2,474 6.9,475 0.493,476 0.243,477 0.017,478 14.25,479 1.018,480 6,481 0.429,482 8.25,483 0.589,484 11.301,485 0.807,486 15.9,487 0.482,488 6.607,489 0.472,490 2.541,491 0.181,492 4.303,493 0.307,494 0.072,496 0.203,501 1.057,502 1.402,503 1.083,504 1.225,505 1.043,506 1.168,507 1.875,508 1.121,509 1.177,510 1.054,511 1.02,512 1.077,513 1.258,514 1.201,515 1.189,516 1.185,517 0.991,518 1.184,519 0.961,520 0.955,521 0.919,522 0.929,523 0.757,524 0.923,525 1.196,526 0.659,527 0.777,528 0.666,529 0.848,530 0.695,531 0.731,532 1.111,533 1.164,534 1.202,535 1.39,536 1.203,537 0.407,538 0.904,539 0.909,540 0.978,541 1.019,542 0.969,543 0.443,544 0.986,545 0.991,546 1.066,547 1.269,548 1.057,549 2.5,551 0.889,552 0.438,553 0.493,554 0.069,555 0.16,556 0.111,557 0.037,558 0.016,559 1435,560 2258,561 2.076,562 57.6,563 4,564 11,569 4,572 1.502,573 2,574 2.868,575 -0.905,579 1,582 37.649,583 1.141,584 2.604,585 3.677,586 3.908,587 3.991,588 3.991,589 2.271,590 2.896,591 3.782,592 2.901,593 263.994,594 6.271,595 2063.27,597 1,600 166.465,601 1.095,602 3.765,603 0.167,605 0.047,606 0.027,607 0.045,608 0.006,609 0.018,610 0.019,611 0.012,612 0.016,613 0.356,614 1,615 1,616 0.544,617 53.659,618 0.154,619 -0.157,620 0.062,621 -0.046,622 0.095,623 -0.005,624 -0.187,625 0.034,626 -0.084,627 -0.018,628 -0.004,629 -0.041,630 -0.117,631 -0.175,632 -0.184,633 -0.19,634 -0.09,635 -0.19,636 0.035,637 -0.056,638 0.011,639 -0.022,640 0.063,641 -0.009,642 -0.023,643 0.252,644 0.163,645 0.228,646 0.082,647 0.209,648 -0.132,649 -0.121,650 -0.194,651 -0.171,652 -0.308,653 -0.182,654 0.029,655 -0.03,656 -0.008,657 -0.023,658 -0.034,659 -0.019,660 -0.008,661 -0.12,662 -0.097,663 -0.119,664 -0.139,665 -0.113,666 0.401,667 0.565,668 0.857,669 7.143,670 0.971,671 1.128,672 2.998,673 8.985,674 0.632,675 2.773,676 2.996,677 3.135,678 3.296,679 3.497,680 3.219,681 3.219,682 3.219,683 3.045,684 2.833,685 4.163,686 0.569,687 189.33,688 2.773,689 4.234,690 5.017,691 5.832,692 6.632,693 7.449,694 8.256,695 9.074,696 9.883,697 10.701,698 3,701 1,715 5,720 1,722 6,741 33,743 6,744 1,745 15,747 34,748 13,749 6,750 1,751 5,756 2,757 2,763 1,767 2,768 1,770 2,772 6,773 7,774 1,790 1,793 19,794 1,796 1,802 1,808 1,829 2,855 1,859 2,864 1,868 14,876 5,880 1,881 1,901 7,902 5.95,903 3.167,904 2.203,907 1.094,908 1.198,909 0.946,910 3.201,911 6.627,912 2.944,913 3.35,914 3.707,915 4.105,916 4.527,917 4.14,918 4.29,919 4.49,920 4.473,921 4.447,922 0.8,923 16,924 5.21,925 0.002,926 2.086,927 0.026,929 7.25,931 10.673,933 8.82,934 -0.001,936 1.75,937 24.5,938 0.021,941 223.651,942 70.778,943 3.124,948 70.778,949 223.651,950 3.124,951 8.825,952 11.386,953 47.381,955 6.31,957 223.651,959 223.651,960 73.903,964 176.567,965 47.084,968 23.336,969 50.567,972 223.651,973 3.124,974 70.778,977 223.651,978 14.572,979 59.331,982 223.651,983 3.124,984 70.778,986 0.56,987 0.302,988 0.155,989 0.092,990 9,991 3,992 0.059,993 2,995 1,996 2.758,997 82.292,999 12,1000 45.303,1005 9.726,1006 4.607,1007 2.837,1009 3.124,1010 10.779,1015 1.446,1018 297.553,1019 18,1031 32.054,1032 37.235,1034 0.226,1035 0.516,1036 0.729,1037 0.775,1038 0.791,1039 0.791,1040 4.119,1041 -0.414,1042 4.934,1043 0.459,1044 3.664,1045 4.025,1046 0.918,1047 5.58,1048 3.618,1049 5.211,1050 -1,1051 6.382,1052 -0.93,1053 2.944,1054 3.277,1055 0.325,1056 6.071,1057 2.855,1058 6.421,1059 -1,1060 7.918,1061 -2.347,1062 5.094,1063 5.89,1064 0.671,1065 9.087,1066 4.994,1067 7.652,1068 -1,1069 9.505,1070 -2.375,1071 5.142,1072 5.866,1073 0.393,1074 10.369,1075 4.993,1076 8.913,1077 -1.414,1078 11.123,1079 -3,1080 6.751,1081 8.035,1082 0.533,1083 12.845,1084 6.595,1085 10.192,1086 -1.903,1087 12.762,1088 -3.369,1089 7.194,1090 8.401,1091 0.384,1092 14.484,1093 6.988,1094 11.487,1095 -2,1096 14.416,1097 -4.789,1098 8.524,1099 10.322,1100 0.438,1101 16.73,1102 8.308,1103 2.709,1104 -2,1105 16.08,1106 -5.275,1107 9.191,1108 10.931,1109 0.351,1110 18.556,1111 8.926,1112 2.414,1113 7.739,1114 17.751,1115 -5.491,1116 10.367,1117 12.683,1118 0.366,1119 20.692,1120 10.086,1121 2,1122 6.457,1123 19.428,1124 3.456,1125 11.167,1126 13.458,1127 0.312,1128 22.619,1129 10.836,1130 1.414,1131 5.476,1132 21.11,1133 2.593,1134 12.256,1135 15.085,1136 0.309,1137 24.704,1138 11.905,1139 1,1140 3.033,1141 22.796,1142 2.17,1143 13.134,1144 15.978,1145 0.273,1146 26.685,1147 12.735,1148 1,1149 2.275,1150 24.485,1151 1.884,1152 14.176,1153 17.511,1154 0.262,1155 28.745,1156 13.752,1157 0.194,1158 2.136,1159 26.177,1160 1.5,1161 15.1,1162 18.492,1163 0.236,1164 30.755,1165 14.629,1166 1451,1167 1861,1168 10.227,1169 20.858,1170 21.581,1171 21.508,1172 21.817,1173 21.478,1174 21.463,1175 25.621,1176 2.178,1177 55.15,1178 20.991,1179 4.94,1180 5.014,1181 5.4,1182 4.705,1183 4.709,1184 6.456,1185 1.605,1186 13.231,1187 4.611,1188 4.315,1189 1.439,1190 1.434,1191 1.454,1192 1.432,1193 1.431,1194 1.708,1195 0.145,1196 3.677,1197 1.399,1198 3.954,1199 4.003,1200 3.865,1201 3.869,1202 4.756,1203 3.862,1204 3.81,1205 3.86,1206 3.687,1207 3.7,1208 4.338,1209 3.689,1210 3.326,1211 3.412,1212 3.158,1213 3.139,1214 3.913,1215 3.133,1216 3.111,1217 3.206,1218 2.866,1219 2.941,1220 3.674,1221 2.91,1222 2.991,1223 3.082,1224 2.773,1225 2.831,1226 3.603,1227 2.805,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.474,1233 2.715,1234 2.61,1235 2.724,1236 2.331,1237 2.378,1238 3.147,1239 2.351,1240 2.332,1241 2.468,1242 1.963,1243 2.078,1244 2.702,1245 2.03,1246 0.263,1247 0.201,1248 0.373,1249 0.245,1250 0.181,1251 3.94,1252 0.23,1253 3.014,1254 0.061,1255 5.598,1256 0.516,1257 3.67,1258 0.174,1259 2.709,1260 3.456,1261 0.916,1262 7.739,1263 2.611,1264 1.931,1265 1.894,1266 2.096,1267 2.061,1268 1.441,1269 2.076,1270 1.821,1271 1.767,1272 2.008,1273 1.944,1274 1.144,1275 1.968,1276 1.32,1277 1.238,1278 1.62,1279 1.552,1280 0.825,1281 1.581,1282 1.153,1283 1.064,1284 1.513,1285 1.376,1286 0.807,1287 1.429,1288 1.031,1289 0.946,1290 1.387,1291 1.252,1292 0.563,1293 1.305,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.246,1299 1.107,1300 0.635,1301 0.525,1302 1.052,1303 0.916,1304 0.218,1305 0.969,1306 0.392,1307 0.262,1308 0.87,1309 0.696,1311 0.764,1312 3.434,1314 4.673,1316 6.111,1318 7.63,1320 9.183,1322 2.361,1328 6.416,1332 0.932,1333 2.565,1340 18.763,1341 37.649,1342 85.943,1343 121.346,1344 128.955,1345 131.71,1346 131.71,1347 14.018,1348 5.533,1349 3.24,1350 3.24,1351 12,1352 11.285,1353 2.807,1354 2,1355 21.476,1356 35,1357 30,1358 0.314,1359 118.696,1360 200.92,1361 281.379,1362 1407,1364 9.803,1365 0.7,1366 0.639,1367 9.803,1368 8.947,1369 6.843,1370 0.456,1371 0.374,1372 5.575,1373 6.74,1374 5.382,1375 4.523,1376 6.843,1377 5.607,1378 5.866,1379 0.309,1380 0.234,1381 5.866,1382 4.444,1383 4.527,1384 0.206,1385 0.142,1386 4.527,1387 3.125,1388 3.459,1389 0.133,1390 0.079,1391 3.459,1392 2.062,1393 2.924,1394 0.091,1395 0.051,1396 2.924,1397 1.636,1398 0.482,1399 41.672,1400 0.313,1401 14.438,1402 0.877,1403 68,1404 119.645,1405 70.082,1406 122.199,1407 170.09,1408 116,1409 75,1410 123.113,1411 77.664,1412 129.275,1413 184.03,1414 121,1415 8.276}
{0 CHEMBL158242,1 1.326,2 6.529,3 3.023,4 9.136,5 66.723,6 6.695,7 0.333,8 3.627,9 3.733,10 3.099,11 3.141,12 4.647,13 3.105,14 4.203,15 4.382,16 3.441,17 3.503,18 5.166,19 3.454,20 4.397,21 4.59,22 3.519,23 3.577,24 5.463,25 3.525,26 4.314,27 4.49,28 3.383,29 3.53,30 5.39,31 3.457,32 4.3,33 4.486,34 3.295,35 3.453,36 5.339,37 3.365,38 4.324,39 4.555,40 3.038,41 3.387,42 5.23,43 3.243,44 4.204,45 4.454,46 2.687,47 3.259,48 5.039,49 3.063,50 4.155,51 4.478,52 2.05,53 3.009,54 4.931,55 2.701,56 0.005,57 0.441,58 8.031,59 3.734,60 4.491,61 4.772,62 0.12,63 0.708,64 15.256,65 5.979,66 17.026,67 7.862,68 0.337,69 0.805,70 19.229,71 6.749,72 31.671,73 8.898,74 0.182,75 0.765,76 17.334,77 6.432,78 32.644,79 8.432,80 0.275,81 0.735,82 17.28,83 6.203,84 32.717,85 8.251,86 0.35,87 0.726,88 17.962,89 6.21,90 32.967,91 8.525,92 0.198,93 0.654,94 15.669,95 5.676,96 25.193,97 7.943,98 0.179,99 0.586,100 15.097,101 5.209,102 33.282,103 7.76,104 25,105 25,106 0.249,107 0.541,108 0.703,109 0.769,110 0.78,111 0.791,112 2.909,113 1.023,114 -3.88,115 -3.84,116 -3.64,121 40,122 3,123 1,124 1,127 2,144 2,145 2,146 2,159 1,176 6,180 6,187 7,191 1,192 8,200 6,206 4,214 4,218 1,219 5,227 4,231 1,232 2,239 3,244 1,251 4,256 1,264 2,281 252,282 11.447,283 11.447,284 11.447,285 11.447,286 11.447,287 10.656,288 16.313,289 6.857,290 11.844,291 8.798,292 8.798,293 8.798,294 8.798,295 8.798,296 7.382,297 17.953,298 3.075,299 9.243,300 3.803,301 2.25,302 1.387,303 1.036,304 0.979,305 0.922,306 3.557,311 1,312 1,313 226,314 2.646,317 35.725,318 40.071,321 63.521,325 0.969,326 17.992,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 37,338 111,339 4.523,340 3.782,341 6.694,342 4.208,343 3.205,344 4.172,345 1.277,346 10.792,347 3.218,348 4.007,349 3.206,350 6.099,351 3.675,352 2.723,353 3.379,354 0.86,355 8.852,356 2.58,357 3.301,358 2.57,359 5.33,360 2.964,361 1.97,362 2.511,363 0.86,364 6.151,365 1.951,366 3.072,367 2.336,368 4.869,369 2.797,370 1.839,371 2.198,373 5.375,374 1.768,375 2.598,376 1.914,377 4.29,378 2.409,379 1.479,380 1.578,382 3.788,383 1.351,384 2.158,385 1.493,386 3.32,387 1.971,388 1.059,389 1.105,391 1.777,392 0.955,393 2.116,394 1.387,395 3.131,396 1.845,397 0.854,398 1.033,400 1.715,401 0.836,402 1.43,403 0.795,404 2.667,405 1.12,406 0.123,407 0.148,409 0.236,410 0.12,411 0.897,412 0.026,413 2.423,414 0.669,415 -0.297,416 -0.332,418 -0.598,419 -0.285,420 0.685,421 -0.19,422 2.339,423 0.436,424 -0.531,425 -0.596,427 -0.967,428 -0.51,429 0.348,430 -0.612,431 1.827,432 0.107,433 -0.87,434 -1.031,436 -1.913,437 -0.843,438 0.23,439 -0.759,440 1.643,441 -0.025,442 -1,443 -1.213,445 -2.642,446 -0.969,447 -0.038,448 -0.887,449 1.357,450 -0.296,451 -1.328,452 -1.578,454 -3.27,455 -1.321,456 -0.5,457 -1.194,458 1.297,459 -0.716,460 -1.638,461 -1.767,463 -4.662,464 -1.539,465 -0.581,466 -1.325,467 1.195,468 -0.784,469 -1.788,470 -2.03,472 -5.187,473 -1.58,474 8,475 0.471,476 0.418,477 0.025,478 18.75,479 1.103,480 8.5,481 0.5,482 10.25,483 0.603,484 14.273,485 0.84,486 19.6,487 0.56,488 11.598,489 0.682,490 3.427,491 0.202,492 4.741,493 0.279,494 0.229,496 0.375,501 0.737,502 1.295,503 0.862,504 1.267,505 0.618,506 1.112,507 1.049,508 0.998,509 0.831,510 0.971,511 0.676,512 0.877,513 1.302,514 0.884,515 0.933,516 0.864,517 1.101,518 0.837,519 1.335,520 1.182,521 1.153,522 1.168,523 1.75,524 1.133,525 1.198,526 1.226,527 1.169,528 1.22,529 0.89,530 1.194,531 1.156,532 1.011,533 1.19,534 1.028,535 0.675,536 1.103,537 1.012,538 1.146,539 1.269,540 1.172,541 1.052,542 1.253,543 0.646,544 1.01,545 1.044,546 1.038,547 1.313,548 1.101,549 3.5,551 2.222,552 1.639,553 0.919,554 0.761,555 0.395,556 0.175,559 1947,560 4723,561 1.96,562 51.4,563 5,564 6,568 1,569 6,572 1.577,573 1.789,574 2.743,575 -0.807,577 1,578 1,579 1,582 46.408,583 1.326,584 2.879,585 3.743,586 4.093,587 4.15,588 4.207,589 1.993,590 3.617,591 4.053,592 2.832,593 385.123,594 6.893,595 3446.68,597 1,599 1,600 179.525,601 1.549,602 3.989,603 0.194,605 0.089,606 0.063,607 0.042,608 0.04,609 0.028,610 0.019,613 0.476,614 0.83,615 1,616 1.458,617 68.871,618 0.003,619 -0.098,620 0.056,621 -0.082,622 -0.044,623 -0.015,624 -0.047,625 0.063,626 0.142,627 0.081,628 0.021,629 0.137,630 -0.003,631 0.122,632 0.091,633 0.125,634 0.017,635 0.125,636 -0.155,637 -0.143,638 -0.158,639 -0.145,640 -0.208,641 -0.151,642 0.01,643 -0.213,644 -0.169,645 -0.221,646 -0.008,647 -0.226,648 -0.035,649 -0.053,650 -0.2,651 -0.075,652 0.038,653 -0.154,654 -0.145,655 -0.19,656 -0.322,657 -0.212,658 -0.085,659 -0.286,660 -0.018,661 -0.141,662 -0.122,663 -0.146,664 -0.076,665 -0.152,666 1.455,667 4.926,668 0.529,669 11.087,670 0.998,671 1.125,672 2.65,673 7.024,674 0.635,675 2.944,676 3.258,677 3.555,678 3.829,679 4.025,680 4.094,681 4.174,682 4.111,683 3.638,684 2.996,685 4.127,686 0.597,687 234.32,688 2.944,689 4.466,690 5.323,691 6.213,692 7.101,693 8.001,694 8.899,695 9.803,696 10.705,697 11.609,715 2,720 4,722 6,727 1,739 2,741 35,743 7,744 1,745 18,747 36,748 14,749 6,750 4,751 2,752 1,756 2,757 3,763 3,767 1,768 1,770 1,772 7,773 7,774 1,777 1,782 1,786 1,790 1,793 18,794 3,796 3,808 0.5,809 3,828 1,829 1,832 1,859 1,864 3,868 17,876 3,878 2,880 1,893 8.6,896 1,898 2,901 9.5,902 7.25,903 3.944,904 2.521,907 1.382,908 1.226,909 0.918,910 3.603,911 7.487,912 3.135,913 3.676,914 4.252,915 4.786,916 5.304,917 5.552,918 5.773,919 5.808,920 5.386,921 4.737,922 0.6,923 26,924 6.319,926 2.608,927 0.026,929 7.745,931 12.171,933 9.762,936 2.245,937 38.167,938 0.003,941 211.88,942 79.139,945 47.145,948 79.139,949 259.025,951 26.476,952 11.719,953 18.952,954 30.278,955 38.858,957 211.88,959 211.88,960 79.139,961 47.145,964 141.253,965 117.771,968 38.195,969 40.944,972 211.88,973 47.145,974 79.139,977 211.88,978 33.711,979 45.428,981 47.145,982 211.88,983 47.145,984 79.139,986 0.565,987 0.346,988 0.199,989 0.115,990 12,991 6,992 0.111,993 4,994 1,995 1.222,996 2.819,997 117.388,998 0.222,999 9,1000 69.487,1005 12.28,1006 4.987,1007 2.261,1009 47.145,1010 3.779,1015 3.296,1018 338.163,1019 22,1024 11.926,1028 0.212,1031 34.934,1032 39.365,1034 0.259,1035 0.561,1036 0.73,1037 0.798,1038 0.809,1039 0.82,1040 4.376,1041 0.123,1042 5.323,1043 1.715,1044 3.932,1045 4.357,1046 1.977,1047 6.176,1048 3.87,1049 5.569,1050 -0.297,1051 6.913,1052 0.236,1053 3.611,1054 4.29,1056 7.149,1057 3.578,1058 6.886,1059 -0.531,1060 8.605,1061 -0.598,1062 5.557,1063 6.521,1064 2.142,1065 10.276,1066 5.473,1067 8.244,1068 -0.87,1069 10.355,1070 -0.967,1071 6.066,1072 7.268,1074 12.057,1075 6.017,1076 9.638,1077 -1,1078 12.139,1079 -1.913,1080 7.507,1081 9.023,1082 2.426,1083 14.696,1084 7.43,1085 11.056,1086 -1.328,1087 13.946,1088 -2.642,1089 8.385,1090 10.121,1092 16.813,1093 8.335,1094 12.493,1095 -1.638,1096 15.77,1097 -3.27,1098 9.637,1099 11.692,1100 2.796,1101 19.279,1102 9.577,1103 3.205,1104 -1.788,1105 17.606,1106 -4.662,1107 10.674,1108 12.952,1110 21.539,1111 10.634,1112 2.723,1113 10.792,1114 19.452,1115 -5.187,1116 11.857,1117 14.444,1118 3.22,1119 23.941,1120 11.818,1121 1.97,1122 8.852,1123 21.305,1124 4.172,1125 12.961,1126 15.783,1128 26.263,1129 12.937,1130 1.839,1131 6.151,1132 23.165,1133 3.379,1134 14.122,1135 17.24,1136 3.675,1137 28.644,1138 14.104,1139 1.479,1140 5.375,1141 25.03,1142 2.511,1143 15.254,1144 18.62,1146 30.993,1147 15.249,1148 1.059,1149 3.788,1150 26.9,1151 2.198,1152 16.409,1153 20.06,1154 4.146,1155 33.367,1156 16.412,1157 0.854,1158 1.777,1159 28.773,1160 1.578,1161 17.555,1162 21.462,1164 35.73,1165 17.568,1166 2087,1167 3326,1168 11.444,1169 22.216,1170 26.852,1171 28.565,1172 28.576,1173 26.513,1174 26.504,1175 32.251,1176 5.995,1177 77.372,1178 25.556,1179 5.356,1180 5.782,1181 6.465,1182 5.208,1183 5.205,1184 7.172,1185 2.555,1186 17.753,1187 5.218,1188 9.645,1189 1.492,1190 1.587,1191 1.588,1192 1.473,1193 1.472,1194 1.792,1195 0.333,1196 4.298,1197 1.42,1198 4.041,1199 4.054,1200 3.996,1201 3.967,1202 7.426,1203 3.971,1204 3.618,1205 3.654,1206 3.519,1207 3.446,1208 4.893,1209 3.455,1210 3.472,1211 3.543,1212 3.278,1213 3.257,1214 4.459,1215 3.247,1216 3.367,1217 3.444,1218 3.164,1219 3.209,1220 4.314,1221 3.186,1222 2.99,1223 3.034,1224 2.877,1225 2.833,1226 3.955,1227 2.834,1228 2.949,1229 3.019,1230 2.733,1231 2.757,1232 3.701,1233 2.743,1234 2.622,1235 2.677,1236 2.468,1237 2.315,1238 3.665,1239 2.341,1240 2.507,1241 2.607,1242 2.218,1243 2.204,1244 3.389,1245 2.197,1246 0.251,1247 0.21,1248 0.372,1249 0.234,1250 0.178,1251 4.523,1252 0.232,1253 3.782,1254 0.071,1255 6.694,1256 0.6,1257 4.208,1258 0.179,1259 3.205,1260 4.172,1261 1.277,1262 10.792,1263 3.218,1264 1.884,1265 1.875,1266 1.968,1267 1.987,1268 1.21,1269 1.977,1270 1.644,1271 1.599,1272 1.869,1273 1.809,1274 1.078,1275 1.83,1276 1.463,1277 1.39,1278 1.795,1279 1.713,1280 0.935,1281 1.742,1282 1.458,1283 1.388,1284 1.769,1285 1.68,1286 0.921,1287 1.712,1288 0.98,1289 0.945,1290 1.334,1291 1.207,1292 0.481,1293 1.255,1294 0.933,1295 0.866,1296 1.117,1297 1.179,1298 0.196,1299 1.151,1300 0.68,1301 0.603,1302 1.032,1303 0.969,1304 0.126,1305 0.991,1306 0.439,1307 0.309,1308 0.956,1309 0.805,1310 0.083,1311 0.858,1312 3.611,1314 4.92,1315 2.398,1316 6.438,1317 4.844,1318 8.059,1319 7.002,1320 9.737,1322 5.827,1328 1.978,1330 11.07,1332 0.08,1340 20.886,1341 46.408,1342 100.77,1343 130.996,1344 143.26,1345 145.26,1346 147.26,1347 29.704,1348 6.105,1349 35.53,1350 35.53,1351 11,1352 12.129,1353 3,1354 2.322,1355 28.195,1356 44,1357 40,1358 0.359,1359 130.556,1360 230.95,1361 310.316,1362 2594,1364 12.414,1365 0.73,1366 0.622,1367 12.414,1368 10.578,1369 8.168,1370 0.454,1371 0.341,1372 6.055,1373 7.809,1374 5.822,1375 4.853,1376 8.168,1377 6.136,1378 7.065,1379 0.283,1380 0.172,1381 7.065,1382 4.292,1383 6.019,1384 0.177,1385 0.088,1386 6.019,1387 3.008,1388 4.968,1389 0.11,1390 0.049,1391 4.968,1392 2.225,1393 3.938,1394 0.072,1395 0.027,1396 3.938,1397 1.462,1398 0.528,1399 51.403,1400 0.296,1401 16.697,1402 1.09,1403 86,1404 265.207,1405 95.19,1406 243.786,1407 331.38,1408 230,1409 102,1410 239.545,1411 111.08,1412 237.233,1413 352.03,1414 225,1415 6.42}
{0 CHEMBL158252,1 1.436,2 9.286,3 2.285,4 5.223,5 82.694,6 6.661,7 0.261,8 3.836,9 3.966,10 3.309,11 3.376,12 4.814,13 3.33,14 4.441,15 4.636,16 3.668,17 3.817,18 5.348,19 3.737,20 4.784,21 5.015,22 3.758,23 3.999,24 5.719,25 3.884,26 4.873,27 5.143,28 3.607,29 3.917,30 5.914,31 3.763,32 4.714,33 5.006,34 3.357,35 3.714,36 5.607,37 3.557,38 4.444,39 4.694,40 3.3,41 3.562,42 5.396,43 3.438,44 4.417,45 4.66,46 3.228,47 3.48,48 5.439,49 3.367,50 4.283,51 4.537,52 3.059,53 3.356,54 5.289,55 3.219,56 0.028,57 0.618,58 9.918,59 4.196,60 5.05,61 5.87,62 0.166,63 1.041,64 18.992,65 7.202,66 18.42,67 10.413,68 0.206,69 1.32,70 27.395,71 10.067,72 31.982,73 14.452,74 0.439,75 1.3,76 30.811,77 10.582,78 81.059,79 15.412,80 0.32,81 1.068,82 26.484,83 8.823,84 57.573,85 12.871,86 0.197,87 0.873,88 19.828,89 6.908,90 34.207,91 9.895,92 0.269,93 0.835,94 19.673,95 6.145,96 44.288,97 8.865,98 0.366,99 0.734,100 17.281,101 5.504,102 42.939,103 7.967,104 10,105 32,106 0.254,107 0.56,108 0.752,109 0.835,110 0.843,111 0.843,112 3.103,113 1.014,114 -3.48,115 -3.46,116 -3.3,121 39.5,123 4,124 2,126 1,127 2,144 4,145 1,146 1,159 1,160 1,176 9,180 5,183 1,185 3,187 10,192 4,197 3,200 7,205 1,206 7,209 1,211 2,214 6,219 6,224 1,227 5,232 6,237 2,239 6,251 5,255 2,256 1,259 1,264 5,269 1,277 2,281 562,282 14.137,283 14.137,284 14.137,285 14.137,286 14.137,287 13.189,288 16.504,289 8.312,290 14.258,291 11.322,292 11.322,293 11.322,294 11.322,295 11.322,296 9.798,297 20.813,298 3.942,299 11.474,300 3.991,301 2.267,302 1.18,303 0.715,304 0.669,305 0.669,306 3.784,310 1,311 1,312 1,313 421,314 2.345,318 169.248,322 89.815,325 1.279,326 22.969,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 45,338 195,339 4.463,340 3.975,341 6.746,342 4.195,343 3.187,344 4.005,345 2.039,346 10.914,347 3.21,348 3.793,349 3.357,350 5.928,351 3.605,352 2.627,353 3.071,354 1.244,355 8.134,356 2.579,357 3.604,358 2.802,359 5.407,360 3.459,361 2.461,362 2.611,363 0.8,364 7.13,365 2.451,366 3.394,367 2.679,368 5.181,369 3.049,370 2.088,371 2.573,372 0.146,373 6.005,374 2.039,375 3.1,376 2.287,377 4.887,378 3.021,379 2.026,380 2.11,382 5.686,383 1.954,384 2.881,385 1.764,386 3.938,387 2.436,388 1.44,389 2.034,391 3.105,392 1.432,393 2.586,394 1.538,395 3.713,396 2.171,397 1.157,398 1.569,400 2.937,401 1.167,402 2.183,403 1.311,404 3.469,405 1.984,406 1,407 1.048,409 2.275,410 0.983,411 2,412 1.077,413 3.414,414 1.901,415 0.874,416 1,418 2.075,419 0.893,420 1.374,421 0.706,422 2.935,423 1.193,424 0.17,425 0.19,427 0.408,428 0.172,429 1.283,430 0.529,431 2.641,432 0.888,433 -0.122,434 -0.158,436 -0.298,437 -0.122,438 0.752,439 -0.031,440 2.229,441 0.651,442 -0.342,443 -0.363,445 -0.76,446 -0.337,447 0.673,448 -0.424,449 2,450 0.23,451 -0.802,452 -1,454 -1.917,455 -0.822,456 0.474,457 -0.511,458 2,459 0.016,460 -1,461 -1.078,463 -2.438,464 -0.946,466 -0.784,467 1.688,468 -0.049,469 -1,470 -1.25,472 -2.827,473 -1.008,474 9.967,475 0.475,476 0.524,477 0.025,478 22.75,479 1.083,480 9.5,481 0.452,482 13.25,483 0.631,484 18.883,485 0.899,486 23.633,487 0.55,488 14.788,489 0.704,490 4.08,491 0.194,492 6.068,493 0.289,494 0.117,496 0.341,501 0.637,502 1.371,503 0.876,504 1.171,505 0.491,506 1.067,507 0.69,508 1.116,509 0.953,510 1.056,511 0.504,512 1.03,513 0.93,514 1.136,515 1.008,516 1.131,517 0.876,518 1.085,519 0.903,520 0.977,521 0.958,522 1.019,523 0.935,524 1.001,525 1.175,526 0.758,527 0.895,528 0.789,529 1.235,530 0.805,531 1.183,532 1.022,533 1,534 1.023,535 1.272,536 0.996,537 1.697,538 1.009,539 1.18,540 0.967,541 1.81,542 1.002,543 1.359,544 0.788,545 1.156,546 0.854,547 1.578,548 0.969,549 4,550 0.062,551 2.667,552 1.438,553 1.36,554 0.632,555 0.344,556 0.248,557 0.188,558 0.057,559 4411,560 9650,561 2.074,562 51.2,563 5,564 11,567 1,568 1,569 4,572 1.63,573 1.938,574 3.172,575 -0.338,576 1,577 1,579 1,582 61.735,583 1.436,584 3.159,585 4.246,586 4.711,587 4.758,588 4.758,589 2.629,590 4.071,591 4.365,592 3.294,593 691.65,594 7.468,595 7274.17,597 1,599 1,600 233.329,601 1.418,602 4.322,603 0.174,604 0.01,605 0.083,606 0.044,607 0.052,608 0.03,609 0.017,610 0.014,611 0.013,612 0.005,613 0.442,614 0.83,615 1,616 0.61,617 94.731,618 -0.013,619 -0.112,620 0.051,621 -0.012,622 0.005,623 0.02,624 0.031,625 0.044,626 -0.006,627 0.003,628 0.038,629 -0.002,630 -0.041,631 -0.108,632 -0.046,633 -0.114,634 0.001,635 -0.083,636 0.137,637 -0.055,638 0.026,639 -0.062,640 0.168,641 -0.036,642 -0.073,643 0.12,644 0.099,645 0.143,646 -0.051,647 0.146,648 -0.075,649 -0.067,650 -0.011,651 -0.045,652 -0.082,653 -0.022,654 -0.229,655 -0.046,656 -0.145,657 -0.032,658 -0.233,659 -0.072,660 0.009,661 0.183,662 -0.13,663 0.073,664 -0.168,665 -0.04,666 1.834,667 5.483,668 0.762,669 14.726,670 0.993,671 1.129,672 2.251,673 5.068,674 0.64,675 3.178,676 3.497,677 3.761,678 3.989,679 4.22,680 4.205,681 4.19,682 4.277,683 4.382,684 4.248,685 5.359,686 0.599,687 286.41,688 3.178,689 4.71,690 5.557,691 6.428,692 7.292,693 8.169,694 9.04,695 9.919,696 10.794,697 11.676,698 4.7,701 1,705 1,715 4,720 2,722 6,727 1,741 43,743 8,744 1,745 23,747 45,748 17,749 6,750 2,751 4,752 1,756 3,757 4,767 2,768 2,770 4,772 8,773 9,774 2,777 2,782 2,786 2,789 1,790 1,793 22,794 4,795 1,796 4,802 2,808 0.667,809 2,829 3,833 1,843 1,855 1,859 2,864 1,868 21,876 6,877 1,880 2,881 1,893 4.7,896 2,901 10.833,902 7.783,903 4.611,904 2.817,907 1.361,908 1.201,909 0.959,910 4.183,911 8.139,912 3.367,913 3.839,914 4.301,915 4.761,916 5.172,917 5.269,918 5.432,919 5.599,920 5.749,921 5.673,922 1,923 33,924 7.878,926 3.434,927 0.026,929 7.73,931 15.36,933 13.186,936 2.23,937 46.833,938 0.001,941 247.193,942 76.431,943 21.135,945 50.29,948 76.431,949 297.483,950 21.135,951 8.396,952 32.36,953 37.905,954 60.128,955 9.067,957 247.193,959 247.193,960 97.566,961 50.29,964 200.109,965 97.374,968 35.485,969 62.082,972 247.193,973 71.425,974 76.431,977 247.193,978 30.13,979 49.426,980 18.011,981 50.29,982 247.193,983 71.425,984 76.431,986 0.584,987 0.344,988 0.181,989 0.1,990 16,991 7,992 0.067,993 3,994 1,995 1.125,996 3.349,997 160.015,998 0.125,999 16,1000 88.239,1005 14.432,1006 6.086,1007 3.068,1009 71.425,1010 7.283,1015 1.313,1017 18.011,1018 395.049,1019 28,1024 24.635,1028 -0.145,1031 42.694,1032 48.567,1034 0.265,1035 0.582,1036 0.782,1037 0.868,1038 0.877,1039 0.877,1040 4.62,1041 1,1042 5.541,1043 2.937,1044 4.174,1045 4.522,1046 2.501,1047 6.344,1048 4.156,1049 5.775,1050 0.874,1051 7.099,1052 2.275,1053 3.761,1054 4.248,1055 1.668,1056 7.244,1057 3.748,1058 7.056,1059 0.17,1060 8.759,1061 2.075,1062 5.759,1063 6.511,1064 3.434,1065 10.348,1066 5.731,1067 8.367,1068 -0.122,1069 10.479,1070 0.408,1071 6.155,1072 7.062,1073 3.181,1074 12.084,1075 6.15,1076 9.714,1077 -0.342,1078 12.238,1079 -0.298,1080 7.632,1081 8.842,1082 4.621,1083 14.728,1084 7.612,1085 11.085,1086 -0.802,1087 14.026,1088 -0.76,1089 8.414,1090 9.795,1091 4.719,1092 16.823,1093 8.423,1094 12.478,1095 -1,1096 15.835,1097 -1.917,1098 9.682,1099 11.378,1100 5.918,1101 19.311,1102 9.684,1103 3.187,1104 -1,1105 17.66,1106 -2.438,1107 10.655,1108 12.535,1109 6.231,1110 21.566,1111 10.682,1112 2.627,1113 10.914,1114 19.498,1115 -2.827,1116 11.841,1117 14.026,1118 7.268,1119 23.995,1120 11.869,1121 2.461,1122 8.134,1123 21.348,1124 4.005,1125 12.907,1126 15.289,1127 7.716,1128 26.322,1129 12.955,1130 2.088,1131 7.13,1132 23.206,1133 3.071,1134 14.065,1135 16.733,1136 8.645,1137 28.728,1138 14.118,1139 2.026,1140 6.005,1141 25.072,1142 2.611,1143 15.175,1144 18.052,1145 9.181,1146 31.088,1147 15.244,1148 1.44,1149 5.686,1150 26.945,1151 2.573,1152 16.325,1153 19.471,1154 10.039,1155 33.485,1156 16.402,1157 1.157,1158 3.105,1159 28.822,1160 2.11,1161 17.458,1162 20.821,1163 10.632,1164 35.861,1165 17.547,1166 4280,1167 6454,1168 15.315,1169 27.534,1170 34.54,1171 36.248,1172 35.585,1173 34.113,1174 34.06,1175 40.42,1176 8.458,1177 97.338,1178 33.758,1179 5.463,1180 5.975,1181 6.427,1182 5.234,1183 5.187,1184 7.005,1185 3.717,1186 18.424,1187 5.21,1188 9.562,1189 1.502,1190 1.576,1191 1.547,1192 1.483,1193 1.481,1194 1.757,1195 0.368,1196 4.232,1197 1.468,1198 4.017,1199 4.046,1200 3.965,1201 3.924,1202 7.443,1203 3.929,1204 3.872,1205 3.931,1206 3.749,1207 3.748,1208 7.412,1209 3.74,1210 3.611,1211 3.658,1212 3.512,1213 3.476,1214 4.726,1215 3.478,1216 3.344,1217 3.416,1218 3.194,1219 3.134,1220 4.373,1221 3.138,1222 3.117,1223 3.206,1224 3.055,1225 2.941,1226 4.021,1227 2.91,1228 3.111,1229 3.184,1230 2.866,1231 2.872,1232 3.899,1233 2.9,1234 3.035,1235 3.087,1236 2.827,1237 2.845,1238 3.674,1239 2.829,1240 2.77,1241 2.823,1242 2.645,1243 2.597,1244 3.557,1245 2.601,1246 0.194,1247 0.173,1248 0.293,1249 0.182,1250 0.139,1251 4.463,1252 0.174,1253 3.975,1254 0.089,1255 6.746,1256 0.475,1257 4.195,1258 0.14,1259 3.187,1260 4.005,1261 2.039,1262 10.914,1263 3.21,1264 1.965,1265 1.941,1266 2.104,1267 2.086,1268 1.491,1269 2.09,1270 1.865,1271 1.81,1272 2.03,1273 2.02,1274 1.227,1275 2.029,1276 1.595,1277 1.549,1278 1.81,1279 1.762,1280 1.043,1281 1.781,1282 1.31,1283 1.237,1284 1.591,1285 1.552,1286 0.825,1287 1.565,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.763,1293 1.429,1294 1.071,1295 0.981,1296 1.395,1297 1.347,1298 0.537,1299 1.37,1300 0.984,1301 0.945,1302 1.2,1303 1.228,1304 0.308,1305 1.21,1306 0.751,1307 0.691,1308 1.114,1309 0.995,1310 0.231,1311 1.042,1312 3.85,1314 5.165,1316 6.688,1318 8.31,1320 9.982,1322 2.144,1328 6.245,1329 2.867,1332 0.151,1333 2.339,1340 25.74,1341 61.735,1342 135.843,1343 182.574,1344 202.574,1345 204.574,1346 204.574,1347 42.498,1348 6.778,1349 49.41,1350 49.41,1351 18,1352 12.212,1353 3.17,1354 2.585,1355 32.264,1356 66,1357 73,1358 0.238,1359 158.604,1360 281.06,1361 378.754,1362 7363,1364 14.82,1365 0.706,1366 0.594,1367 14.82,1368 12.47,1369 10.148,1370 0.441,1371 0.338,1372 7.695,1373 9.842,1374 7.506,1375 6.206,1376 10.148,1377 7.776,1378 9.148,1379 0.286,1380 0.196,1381 9.148,1382 6.276,1383 7.768,1384 0.185,1385 0.114,1386 7.768,1387 4.785,1388 6.303,1389 0.119,1390 0.063,1391 6.303,1392 3.349,1393 5.08,1394 0.076,1395 0.038,1396 5.08,1397 2.569,1398 0.37,1399 63.147,1400 0.256,1401 20.806,1402 0.663,1403 110,1404 285.449,1405 118.12,1406 275.051,1407 367.5,1408 256,1409 129,1410 259.287,1411 137.649,1412 263.806,1413 385.24,1414 248,1415 8.377}
{0 CHEMBL158946,1 1.677,2 8.364,3 3.664,4 13.428,5 89.766,6 9.107,7 0.417,8 3.793,9 3.907,10 3.541,11 3.33,12 4.871,13 3.305,14 4.352,15 4.548,16 3.992,17 3.746,18 5.401,19 3.706,20 4.463,21 4.608,22 4.277,23 3.909,24 5.568,25 3.851,26 4.631,27 4.807,28 4.295,29 3.956,30 5.707,31 3.861,32 4.56,33 4.752,34 4.254,35 3.903,36 5.59,37 3.762,38 4.541,39 4.781,40 3.917,41 3.739,42 5.471,43 3.561,44 4.329,45 4.569,46 3.48,47 3.483,48 5.281,49 3.305,50 4.054,51 4.283,52 3.069,53 3.182,54 5.067,55 3.058,56 0.023,57 0.585,58 6.265,59 3.62,60 4.512,61 4.599,62 0.397,63 0.942,64 17.483,65 5.949,66 25.024,67 7.874,68 0.188,69 1.041,70 19.844,71 7.81,72 15.676,73 9.381,74 0.446,75 1.117,76 30.698,77 8.949,78 42.838,79 10.338,80 0.321,81 1.056,82 37.621,83 9.368,84 27.478,85 11.322,86 0.29,87 0.95,88 45.196,89 9.676,90 29.087,91 11.875,92 0.397,93 0.745,94 41.987,95 7.961,96 28.732,97 9.454,98 0.164,99 0.607,100 23.537,101 5.245,102 19.282,103 6.573,104 43,105 36,106 0.299,107 0.615,108 0.746,109 0.81,110 0.81,111 0.81,112 3.148,113 0.987,114 -3.4,115 -3.39,116 -3.24,119 1,121 40,123 2,126 4,144 2,145 2,146 2,154 2,159 1,161 1,176 4,179 3,180 5,187 4,191 1,192 8,200 5,206 5,214 4,218 1,219 8,227 3,232 5,239 1,243 3,244 2,256 2,268 2,281 578,282 14.491,283 14.491,284 14.491,285 14.491,286 14.491,287 12.701,288 18.089,289 8.073,290 14.983,291 11.692,292 11.692,293 11.692,294 11.692,295 11.692,296 9.058,297 20.845,298 3.662,299 12.494,300 3.645,301 1.869,302 1.132,303 0.775,304 0.775,305 0.775,306 3.818,310 1,311 1,312 1,313 386,314 3.464,317 76.042,318 45.558,320 62.082,321 67.411,324 94.589,325 1.397,326 18.441,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 47.25,338 184,339 4.855,340 3.781,341 7.221,342 4.409,343 3.447,344 4.831,345 2.208,346 12.74,347 3.314,348 4.194,349 3.595,350 6.41,351 3.787,352 2.865,353 3.711,354 0.986,355 9.695,356 2.625,357 3.872,358 3.164,359 5.878,360 3.54,361 2.599,362 3.168,363 0.655,364 7.983,365 2.428,366 3.67,367 2.671,368 5.712,369 3.237,370 2.307,371 2.976,372 0.13,373 7.27,374 2.109,375 3.421,376 2.314,377 5.476,378 3.006,379 2.042,380 2.725,382 6.559,383 1.965,384 2.96,385 2.041,386 4.819,387 2.466,388 1.521,389 2.076,391 4.651,392 1.433,393 2.68,394 1.92,395 4.307,396 2.278,397 1.365,398 1.732,400 3.594,401 1.183,402 2.325,403 1.676,404 3.588,405 2.008,406 1.057,407 1.23,409 2.447,410 0.984,411 1.921,412 1.096,413 3.547,414 1.738,415 0.774,416 0.854,418 1.847,419 0.731,420 1.607,421 0.9,422 2.963,423 1.283,424 0.367,425 0.411,427 0.668,428 0.322,429 1.318,430 0.68,431 2.725,432 1.004,433 0.141,434 0.162,436 0.281,437 0.099,438 0.991,439 0.368,440 2.701,441 0.578,442 -0.338,443 -0.423,445 -0.877,446 -0.276,447 0.635,448 -0.216,449 2.195,450 0.179,451 -0.777,452 -0.984,454 -1.908,455 -0.676,456 0.356,457 -0.515,458 2.151,459 -0.009,460 -0.947,461 -1,463 -2,464 -0.872,465 0.005,466 -0.6,467 2,468 -0.1,469 -1,470 -1.183,472 -2.357,473 -0.9,474 11.2,475 0.509,476 0.72,477 0.033,478 26.25,479 1.193,480 11.5,481 0.523,482 14.75,483 0.67,484 21.051,485 0.957,486 23.6,487 0.59,488 17.479,489 0.795,490 5.107,491 0.232,492 5.344,493 0.243,494 0.327,496 0.429,501 0.754,502 1.55,503 0.491,504 0.982,505 0.581,506 0.962,507 0.76,508 0.673,509 0.518,510 0.465,511 0.48,512 0.523,513 0.898,514 1.217,515 0.833,516 1.047,517 0.716,518 0.99,519 1.669,520 0.968,521 1.148,522 0.906,523 1.678,524 0.951,525 0.806,526 1.161,527 1.541,528 1.362,529 0.837,530 1.248,531 0.914,532 1.096,533 1.627,534 1.33,535 0.8,536 1.156,537 1.072,538 0.86,539 1.884,540 1.327,541 0.955,542 1.139,543 1.113,544 1.324,545 1.204,546 1.313,547 1.473,548 1.212,549 4.5,550 0.033,551 3.333,552 2.514,553 1.859,554 0.91,555 0.451,556 0.366,557 0.242,558 0.109,559 4195,560 12046,561 1.991,562 45,563 2,564 14,568 2,572 1.649,573 1.784,574 3.032,575 -0.717,577 1,582 67.064,583 1.677,584 3.453,585 4.19,586 4.546,587 4.546,588 4.546,589 2.556,590 4.096,591 4.426,592 3.167,593 731.634,594 7.63,595 7660.27,596 1,597 1,598 1,599 1,600 212.877,601 1.539,602 4.344,603 0.188,604 0.008,605 0.093,606 0.064,607 0.053,608 0.031,609 0.02,610 0.022,611 0.017,612 0.012,613 0.509,614 0.67,615 1,616 1.434,617 98.811,618 -0.018,619 -0.359,620 0.008,621 -0.12,622 -0.038,623 -0.052,624 0.192,625 0.461,626 0.084,627 0.379,628 0.177,629 0.379,630 0.048,631 -0.128,632 0.064,633 -0.071,634 0.063,635 -0.04,636 -0.317,637 0.043,638 -0.015,639 0.112,640 -0.26,641 -0.011,642 0.052,643 -0.155,644 -0.05,645 -0.223,646 0.023,647 -0.231,648 -0.017,649 -0.207,650 -0.099,651 -0.176,652 -0.011,653 -0.102,654 0.04,655 0.014,656 -0.223,657 -0.146,658 -0.025,659 -0.095,660 -0.097,661 -0.384,662 -0.171,663 -0.331,664 -0.066,665 -0.236,666 2.052,667 4.796,668 0.545,669 16.686,670 1.006,671 1.127,672 2.175,673 4.729,674 0.684,675 3.219,676 3.611,677 3.97,678 4.29,679 4.533,680 4.7,681 4.86,682 4.949,683 4.942,684 4.868,685 4.966,686 0.643,687 364.27,688 3.219,689 4.796,690 5.694,691 6.619,692 7.544,693 8.478,694 9.414,695 10.354,696 11.295,697 12.239,698 7.5,705 1,706 1,707 1,714 2,715 2,720 4,721 1,722 10,725 1,737 1,740 1,741 40,743 12,744 1,745 24,746 1,747 42,748 16,749 8,750 4,751 2,752 1,756 3,757 6,767 2,770 2,772 10,773 6,777 2,782 1,785 1,786 2,789 1,790 1,793 18,794 4,796 6,797 1,802 3,808 0.333,809 2,824 1,828 2,829 1,831 1,832 1,835 1,859 1,863 1,864 4,868 22,876 2,878 1,881 1,892 1,893 5,896 1,898 1,901 12.333,902 8.743,903 4.833,904 2.313,907 2.396,908 1.337,909 0.98,910 4.038,911 9.505,912 3.466,913 4.147,914 4.821,915 5.483,916 6.058,917 6.519,918 6.971,919 7.348,920 7.515,921 7.61,922 0.833,923 39,924 8.119,926 3.401,927 0.026,929 7.708,931 15.579,933 12.714,936 2.208,937 48.583,940 1,941 211.88,942 86.084,943 67.763,945 36.145,948 132.038,949 248.025,950 21.809,951 33.586,952 8.193,953 18.952,954 27.902,955 43.742,956 11.663,957 211.88,958 45.954,959 211.88,960 107.893,961 36.145,963 45.954,964 211.88,965 36.145,968 26.878,969 81.015,971 45.954,972 211.88,973 57.954,974 132.038,977 211.88,978 33.546,979 57.561,980 45.954,981 52.93,982 211.88,983 57.954,984 132.038,986 0.599,987 0.375,988 0.197,989 0.109,990 19,991 10,992 0.048,993 2,994 2,995 1.333,996 3.216,997 182.402,998 0.333,999 12,1000 96.107,1005 15.566,1006 5.707,1007 2.401,1008 2.225,1009 56.055,1010 3.815,1015 3.831,1016 2.169,1018 401.872,1019 31,1024 11.796,1027 4.397,1028 0.746,1031 40.258,1032 45.077,1034 0.315,1035 0.649,1036 0.787,1037 0.854,1038 0.854,1039 0.854,1040 4.749,1041 1.057,1042 5.733,1043 3.594,1044 4.29,1045 4.832,1046 2.495,1047 6.655,1048 4.164,1049 6.011,1050 0.774,1051 7.372,1052 2.447,1053 4.111,1054 4.934,1055 1.847,1056 7.784,1057 3.907,1058 7.373,1059 0.367,1060 9.11,1061 1.847,1062 5.994,1063 7.172,1064 3.581,1065 10.951,1066 5.768,1067 8.776,1068 0.141,1069 10.904,1070 0.668,1071 6.621,1072 8.105,1073 3.656,1074 12.912,1075 6.326,1076 10.212,1077 -0.338,1078 12.734,1079 0.281,1080 8.034,1081 9.886,1082 4.968,1083 15.638,1084 7.72,1085 11.674,1086 -0.777,1087 14.588,1088 -0.877,1089 9.002,1090 11.184,1091 5.37,1092 17.945,1093 8.635,1094 13.155,1095 -0.947,1096 16.46,1097 -1.908,1098 10.267,1099 12.816,1100 6.461,1101 20.537,1102 9.876,1103 3.447,1104 -1,1105 18.349,1106 -2,1107 11.38,1108 14.274,1109 7.028,1110 22.985,1111 10.947,1112 2.865,1113 12.74,1114 20.249,1115 -2.357,1116 12.603,1117 15.86,1118 7.995,1119 25.537,1120 12.143,1121 2.599,1122 9.695,1123 22.161,1124 4.831,1125 13.778,1126 17.384,1127 8.654,1128 28.041,1129 13.283,1130 2.307,1131 7.983,1132 24.082,1133 3.711,1134 14.995,1135 18.957,1136 9.55,1137 30.584,1138 14.47,1139 2.042,1140 7.27,1141 26.01,1142 3.168,1143 16.199,1144 20.51,1145 10.263,1146 33.111,1147 15.639,1148 1.521,1149 6.559,1150 27.946,1151 2.976,1152 17.419,1153 22.081,1154 11.116,1155 35.652,1156 16.827,1157 1.365,1158 4.651,1159 29.887,1160 2.725,1161 18.637,1162 23.645,1163 11.862,1164 38.188,1165 18.01,1166 4274,1167 7349,1168 15.145,1169 27.37,1170 37.232,1171 38.636,1172 39.915,1173 37.071,1174 36.969,1175 47.751,1176 7.958,1177 115.469,1178 34.388,1179 5.704,1180 5.781,1181 6.763,1182 5.478,1183 5.447,1184 7.831,1185 3.912,1186 20.431,1187 5.314,1188 13.975,1189 1.551,1190 1.61,1191 1.663,1192 1.545,1193 1.54,1194 1.99,1195 0.332,1196 4.811,1197 1.433,1198 4.187,1199 4.214,1200 6.881,1201 4.114,1202 7.433,1203 4.118,1204 3.715,1205 3.751,1206 4.119,1207 3.594,1208 4.96,1209 3.592,1210 3.601,1211 3.669,1212 3.627,1213 3.336,1214 4.642,1215 3.37,1216 3.349,1217 3.427,1218 3.494,1219 3.151,1220 4.387,1221 3.147,1222 3.236,1223 3.333,1224 3.182,1225 3.031,1226 4.18,1227 3.022,1228 2.995,1229 3.025,1230 3.04,1231 2.855,1232 3.934,1233 2.796,1234 2.904,1235 3.009,1236 2.837,1237 2.707,1238 3.845,1239 2.72,1240 2.874,1241 2.953,1242 2.661,1243 2.618,1244 3.675,1245 2.57,1246 0.202,1247 0.158,1248 0.301,1249 0.184,1250 0.144,1251 4.855,1252 0.201,1253 3.781,1254 0.092,1255 7.221,1256 0.531,1257 4.409,1258 0.138,1259 3.447,1260 4.831,1261 2.208,1262 12.74,1263 3.314,1264 1.935,1265 1.922,1266 1.982,1267 2.025,1268 1.232,1269 2.019,1270 1.639,1271 1.593,1272 1.792,1273 1.842,1274 1.032,1275 1.824,1276 1.541,1277 1.481,1278 1.772,1279 1.783,1280 0.928,1281 1.782,1282 1.512,1283 1.437,1284 1.755,1285 1.719,1286 0.834,1287 1.74,1288 1.236,1289 1.152,1290 1.573,1291 1.489,1292 0.616,1293 1.522,1294 1.037,1295 0.955,1296 1.417,1297 1.253,1298 0.494,1299 1.308,1300 0.934,1301 0.838,1302 1.338,1303 1.239,1304 0.469,1305 1.278,1306 0.868,1307 0.804,1308 1.011,1309 1.189,1310 0.105,1311 1.15,1312 3.892,1314 5.263,1315 3.045,1316 6.83,1317 5.533,1318 8.493,1319 7.751,1320 10.215,1321 3.619,1322 7.217,1328 1.919,1330 5.438,1333 1.411,1340 25.733,1341 67.064,1342 138.122,1343 167.593,1344 181.858,1345 181.858,1346 181.858,1347 32.466,1348 7.109,1349 46.83,1350 46.83,1351 16,1352 12.733,1353 3.7,1354 3,1355 34.343,1356 65,1357 64,1358 0.275,1359 164.793,1360 280.5,1361 393.854,1362 9581,1363 2.5,1364 16.016,1365 0.728,1366 0.668,1367 17.016,1368 14.691,1369 10.452,1370 0.435,1371 0.329,1372 7.019,1373 9.47,1374 6.641,1375 5.557,1376 11.029,1377 7.895,1378 9.741,1379 0.271,1380 0.177,1381 10.407,1382 6.384,1383 8.739,1384 0.168,1385 0.094,1386 9.596,1387 4.874,1388 7.14,1389 0.099,1390 0.051,1391 7.937,1392 3.665,1393 5.82,1394 0.063,1395 0.028,1396 6.627,1397 2.568,1398 0.413,1399 74.399,1400 0.257,1401 21.076,1402 0.812,1403 120,1404 359.061,1405 198.175,1406 379.576,1407 512.29,1408 354,1409 148,1410 356.685,1411 202.615,1412 375.715,1413 557.68,1414 349,1415 7.222}
{0 CHEMBL160219,1 1.466,2 11.926,3 4.615,4 21.296,5 106.613,6 7.23,7 0.533,8 4.006,9 4.124,10 3.558,11 3.565,12 5.071,13 3.539,14 4.547,15 4.725,16 3.917,17 3.963,18 5.607,19 3.913,20 4.738,21 4.938,22 3.937,23 4.067,24 5.708,25 3.993,26 4.763,27 4.959,28 3.85,29 4.05,30 5.749,31 3.96,32 4.801,33 5.036,34 3.744,35 4.013,36 5.708,37 3.888,38 4.79,39 5.062,40 3.659,41 3.914,42 5.622,43 3.786,44 4.617,45 4.851,46 3.642,47 3.843,48 5.528,49 3.734,50 4.592,51 4.824,52 3.612,53 3.834,54 5.529,55 3.724,56 0.023,57 0.715,58 10.441,59 4.601,60 6.762,61 6.091,62 0.334,63 1.171,64 19.882,65 7.57,66 31.305,67 10.477,68 0.213,69 1.363,70 24.753,71 9.57,72 27.264,73 13.042,74 0.247,75 1.383,76 25.518,77 9.481,78 34.964,79 12.853,80 0.252,81 1.409,82 27.229,83 10.131,84 34.006,85 14.338,86 0.249,87 1.331,88 28.32,89 10.094,90 32.878,91 14.484,92 0.325,93 1.139,94 23.045,95 8.692,96 27.852,97 12.046,98 0.156,99 1.142,100 21.971,101 8.334,102 25.028,103 11.707,104 13,105 42,106 0.245,107 0.576,108 0.731,109 0.85,110 0.859,111 0.859,112 3.34,113 0.926,114 -3.92,115 -3.88,116 -3.68,121 44,123 3,126 2,127 1,144 8,145 3,146 1,154 2,159 1,161 1,176 12,179 1,180 7,183 2,187 13,191 1,192 9,200 10,206 6,211 2,214 5,218 1,219 8,224 2,227 5,232 5,237 1,239 6,243 2,244 3,247 1,249 1,251 9,256 3,261 1,264 10,268 1,269 2,272 1,277 9,281 1176,282 18.577,283 18.577,284 18.577,285 18.577,286 18.577,287 16.247,288 20.451,289 10.992,290 18.927,291 14.76,292 14.76,293 14.76,294 14.76,295 14.76,296 11.135,297 21.215,298 5.17,299 15.266,300 4.178,301 2.201,302 1.275,303 0.565,304 0.51,305 0.51,306 4.038,311 1,312 1,313 697,314 3.464,317 98.592,318 149.934,320 80.862,321 90.818,324 125.6,325 2.151,326 17.88,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 57.5,338 322,339 4.804,340 3.663,341 7.127,342 4.369,343 3.399,344 4.757,345 2.186,346 12.389,347 3.301,348 4.054,349 3.537,350 6.1,351 3.644,352 2.686,353 3.544,354 0.986,355 8.764,356 2.581,357 3.896,358 2.912,359 5.617,360 3.517,361 2.523,362 3.442,363 0.366,364 7.278,365 2.51,366 3.766,367 2.713,368 5.42,369 3.367,370 2.421,371 3.086,373 6.966,374 2.26,375 3.474,376 2.543,377 5.34,378 3.062,379 2.104,380 2.799,382 6.789,383 2.007,384 3.386,385 2.289,386 4.871,387 2.947,388 1.972,389 2.619,391 5.32,392 1.908,393 3.005,394 1.829,395 4.69,396 2.593,397 1.618,398 2.158,400 4.651,401 1.577,402 2.902,403 1.613,404 3.86,405 2.434,406 1.459,407 2.042,409 3.214,410 1.416,411 2.5,412 1.3,413 3.677,414 2.129,415 1.143,416 1.5,418 2.816,419 1.126,420 2.47,421 1.106,422 3.5,423 2,424 1,425 1.456,427 2.181,428 1,429 2.107,430 1.099,431 3.323,432 1.901,433 0.916,434 1.062,436 2.136,437 0.901,438 1.86,439 1,440 3.247,441 1.68,442 0.708,443 0.79,445 1.738,446 0.686,447 1.509,448 0.88,449 2.911,450 1.301,451 0.386,452 0.412,454 0.583,455 0.349,456 1.26,457 0.635,458 2.686,459 0.92,460 -0.048,461 -0.056,463 -0.116,464 -0.046,465 1.162,466 0.28,467 2.512,468 0.794,469 -0.175,470 -0.223,472 -0.393,473 -0.166,474 12.867,475 0.477,476 0.589,477 0.022,478 35,479 1.296,480 17.5,481 0.648,482 17.5,483 0.648,484 21.611,485 0.8,486 28.533,487 0.571,488 25.134,489 0.931,490 7.029,491 0.26,492 6.14,493 0.227,494 0.104,496 0.342,501 0.782,502 1.3,503 0.798,504 1.085,505 0.601,506 0.962,507 0.679,508 0.949,509 0.837,510 0.867,511 0.484,512 0.859,513 1.018,514 1.058,515 0.955,516 1.009,517 0.814,518 0.98,519 1.31,520 1.185,521 1.209,522 1.142,523 1.153,524 1.159,525 0.852,526 1.137,527 1.098,528 1.153,529 0.898,530 1.152,531 0.896,532 0.927,533 0.869,534 0.899,535 0.747,536 0.88,537 0.889,538 0.903,539 0.933,540 0.938,541 0.816,542 0.95,543 0.869,544 1.119,545 0.986,546 1.084,547 1.079,548 1.053,549 4.5,550 0.081,551 2.667,552 2.264,553 1.259,554 0.778,555 0.546,556 0.432,557 0.361,558 0.148,559 9371,560 23039,561 2.12,562 46,563 2,564 16,567 1,568 2,569 2,572 1.699,573 2,574 3.509,575 -0.382,582 73.289,583 1.466,584 3.443,585 4.368,586 5.079,587 5.134,588 5.134,589 3.056,590 4.533,591 4.716,592 3.687,593 1294.31,594 8.183,595 16741.7,597 1,600 282.193,601 1.352,602 4.694,603 0.15,604 0.005,605 0.063,606 0.054,607 0.034,608 0.024,609 0.018,610 0.014,611 0.012,612 0.007,613 0.383,614 0.5,615 1,616 1.057,617 134.859,618 -0.012,619 -0.154,620 0.064,621 -0.051,622 -0.028,623 0.005,624 0.262,625 0.155,626 0.094,627 0.118,628 0.193,629 0.094,630 -0.048,631 -0.027,632 -0.006,633 -0.017,634 -0.031,635 -0.009,636 -0.201,637 -0.148,638 -0.25,639 -0.165,640 -0.116,641 -0.207,642 -0.006,643 -0.137,644 -0.136,645 -0.178,646 -0.037,647 -0.173,648 -0.003,649 0.01,650 0.134,651 0.071,652 0.024,653 0.115,654 0.124,655 0.061,656 0.051,657 0.051,658 0.023,659 0.036,660 -0.033,661 -0.129,662 -0.026,663 -0.097,664 -0.023,665 -0.066,666 2.12,667 4.486,668 0.667,669 31.029,670 0.996,671 1.121,672 2.693,673 7.254,674 0.671,675 3.434,676 3.761,677 4.078,678 4.394,679 4.615,680 4.754,681 4.956,682 5.1,683 5.153,684 5.226,685 6.832,686 0.635,687 361.48,688 3.434,689 4.977,690 5.844,691 6.737,692 7.629,693 8.538,694 9.445,695 10.364,696 11.281,697 12.207,698 6,705 1,706 1,707 1,714 2,715 8,720 4,721 1,722 16,725 1,737 1,741 50,743 18,744 2,745 30,747 53,748 22,749 14,750 4,751 8,752 1,756 4,757 7,767 2,770 3,772 16,773 6,777 2,782 1,785 1,786 2,790 1,793 23,794 4,795 1,796 5,802 3,808 0.5,809 2,824 1,828 2,829 2,831 1,832 1,835 1,859 2,864 2,868 27,876 4,877 1,878 1,893 4,896 1,898 1,901 13.5,902 9.65,903 6,904 3.068,907 3.668,908 1.47,909 1.007,910 4.996,911 11.472,912 3.714,913 4.341,914 4.967,915 5.61,916 6.164,917 6.534,918 7.003,919 7.422,920 7.638,921 7.898,922 1,923 42,924 9.972,926 4.195,927 0.026,929 7.623,931 19.363,933 15.989,936 2.123,937 57.333,939 1,940 1,941 258.964,942 130.92,943 36.695,945 36.145,948 130.92,949 295.109,950 36.695,951 16.793,952 27.72,953 75.81,954 27.902,955 43.872,956 11.663,957 258.964,959 258.964,960 167.615,961 36.145,964 235.422,965 59.687,968 46.405,969 121.21,972 258.964,973 72.84,974 130.92,977 258.964,978 38.317,979 94.502,980 18.011,981 52.93,982 258.964,983 72.84,984 130.92,986 0.576,987 0.343,988 0.188,989 0.101,990 21,991 9,992 0.094,993 5,994 2,995 1.222,996 3.966,997 232.163,998 0.222,999 18,1000 124.382,1005 17.811,1006 7.573,1007 3.497,1008 2.28,1009 70.941,1010 16.256,1015 4.39,1016 2.211,1017 18.011,1018 462.724,1019 40,1024 11.486,1027 4.9,1028 0.721,1031 49.796,1032 56.066,1034 0.26,1035 0.61,1036 0.774,1037 0.9,1038 0.91,1039 0.91,1040 4.949,1041 1.459,1042 5.826,1043 4.651,1044 4.443,1045 5.027,1046 2.441,1047 6.668,1048 4.378,1049 6.165,1050 1.143,1051 7.398,1052 3.214,1053 4.007,1054 4.89,1055 1.784,1056 7.644,1057 3.903,1058 7.487,1059 1,1060 9.076,1061 2.816,1062 6.052,1063 7.287,1064 3.546,1065 10.81,1066 5.924,1067 8.851,1068 0.916,1069 10.818,1070 2.181,1071 6.494,1072 8.034,1073 3.59,1074 12.706,1075 6.327,1076 10.251,1077 0.708,1078 12.606,1079 2.136,1080 7.991,1081 9.904,1082 4.918,1083 15.413,1084 7.805,1085 11.679,1086 0.386,1087 14.426,1088 1.738,1089 8.85,1090 11.082,1091 5.289,1092 17.692,1093 8.629,1094 13.131,1095 -0.048,1096 16.272,1097 0.583,1098 10.146,1099 12.75,1100 6.39,1101 20.263,1102 9.904,1103 3.399,1104 -0.175,1105 18.138,1106 -0.116,1107 11.203,1108 14.138,1109 6.93,1110 22.691,1111 10.928,1112 2.686,1113 12.389,1114 20.021,1115 -0.393,1116 12.433,1117 15.731,1118 7.902,1119 25.222,1120 12.135,1121 2.523,1122 8.764,1123 21.919,1124 4.757,1125 13.58,1126 17.215,1127 8.539,1128 27.706,1129 13.25,1130 2.421,1131 7.278,1132 23.828,1133 3.544,1134 14.793,1135 18.782,1136 9.436,1137 30.225,1138 14.438,1139 2.104,1140 6.966,1141 25.746,1142 3.442,1143 15.98,1144 20.308,1145 10.13,1146 32.729,1147 15.595,1148 1.972,1149 6.789,1150 27.673,1151 3.086,1152 17.192,1153 21.868,1154 10.981,1155 35.246,1156 16.78,1157 1.618,1158 5.32,1159 29.606,1160 2.799,1161 18.397,1162 23.412,1163 11.71,1164 37.758,1165 17.955,1166 8947,1167 14159,1168 20.285,1169 33.54,1170 44.803,1171 46.156,1172 46.564,1173 44.672,1174 44.669,1175 59.332,1176 7.077,1177 129.651,1178 43.244,1179 5.656,1180 5.663,1181 6.929,1182 5.427,1183 5.399,1184 7.757,1185 3.889,1186 19.919,1187 5.301,1188 11.805,1189 1.493,1190 1.539,1191 1.552,1192 1.489,1193 1.489,1194 1.978,1195 0.236,1196 4.322,1197 1.441,1198 4.188,1199 4.218,1200 4.157,1201 4.102,1202 7.435,1203 4.111,1204 3.917,1205 3.95,1206 3.839,1207 3.858,1208 4.965,1209 3.849,1210 3.701,1211 3.736,1212 3.638,1213 3.578,1214 4.755,1215 3.583,1216 3.537,1217 3.599,1218 3.45,1219 3.268,1220 4.611,1221 3.292,1222 3.384,1223 3.456,1224 3.24,1225 3.204,1226 4.366,1227 3.213,1228 3.313,1229 3.402,1230 3.146,1231 3.096,1232 4.148,1233 3.099,1234 2.985,1235 3.036,1236 2.847,1237 2.845,1238 3.928,1239 2.837,1240 2.936,1241 2.991,1242 2.762,1243 2.735,1244 3.827,1245 2.715,1246 0.16,1247 0.122,1248 0.238,1249 0.146,1250 0.113,1251 4.804,1252 0.159,1253 3.663,1254 0.073,1255 7.127,1256 0.413,1257 4.369,1258 0.11,1259 3.399,1260 4.757,1261 2.186,1262 12.389,1263 3.301,1264 1.939,1265 1.919,1266 2.057,1267 2.041,1268 1.235,1269 2.038,1270 1.92,1271 1.89,1272 2.02,1273 2.005,1274 1.212,1275 2.021,1276 1.644,1277 1.598,1278 1.787,1279 1.82,1280 1.029,1281 1.807,1282 1.544,1283 1.486,1284 1.763,1285 1.732,1286 0.94,1287 1.742,1288 1.41,1289 1.344,1290 1.691,1291 1.721,1292 0.828,1293 1.717,1294 1.344,1295 1.271,1296 1.633,1297 1.542,1298 0.681,1299 1.578,1300 1.131,1301 1.066,1302 1.386,1303 1.319,1304 0.535,1305 1.342,1306 0.886,1307 0.831,1308 1.181,1309 1.205,1310 0.229,1311 1.18,1312 4.111,1314 5.434,1315 3.045,1316 6.952,1317 5.533,1318 8.565,1319 7.743,1320 10.238,1322 3.637,1328 3.684,1329 2.477,1330 5.292,1340 31.762,1341 73.289,1342 172.135,1343 218.418,1344 253.928,1345 256.683,1346 256.683,1347 35.98,1348 7.804,1349 55.62,1350 55.62,1351 22,1352 12.714,1353 4.248,1354 3.459,1355 40.347,1356 108,1357 115,1358 0.183,1359 194.257,1360 333.84,1361 465.748,1362 26855,1364 18.803,1365 0.696,1366 0.58,1367 18.803,1368 15.658,1369 13.169,1370 0.439,1371 0.309,1372 9.141,1373 12.726,1374 8.872,1375 7.367,1376 13.169,1377 9.256,1378 11.629,1379 0.277,1380 0.161,1381 11.629,1382 6.769,1383 10.15,1384 0.175,1385 0.088,1386 10.15,1387 5.122,1388 8.641,1389 0.108,1390 0.048,1391 8.641,1392 3.823,1393 6.91,1394 0.069,1395 0.026,1396 6.91,1397 2.591,1398 0.289,1399 82.042,1400 0.222,1401 26.177,1402 0.496,1403 144,1404 389.094,1405 156.276,1406 377.207,1407 527.07,1408 356,1409 172,1410 397.599,1411 183.671,1412 402.599,1413 592.72,1414 380,1415 6.796}
{0 CHEMBL160836,1 1.677,2 8.864,3 3.807,4 14.496,5 89.617,6 9.107,7 0.417,8 3.793,9 3.908,10 3.536,11 3.339,12 4.862,13 3.311,14 4.347,15 4.533,16 3.979,17 3.747,18 5.427,19 3.697,20 4.494,21 4.678,22 4.25,23 3.882,24 5.535,25 3.819,26 4.5,27 4.643,28 4.301,29 3.945,30 5.58,31 3.857,32 4.591,33 4.776,34 4.275,35 3.942,36 5.62,37 3.801,38 4.629,39 4.886,40 3.817,41 3.771,42 5.509,43 3.589,44 4.359,45 4.606,46 3.441,47 3.485,48 5.286,49 3.318,50 4.143,51 4.394,52 3.283,53 3.254,54 5.132,55 3.104,56 0.032,57 0.583,58 6.337,59 3.623,60 4.5,61 4.594,62 0.353,63 0.937,64 16.595,65 6.183,66 28.499,67 8.146,68 0.288,69 1.045,70 23.686,71 7.829,72 23.304,73 9.586,74 0.285,75 1.055,76 24.67,77 7.993,78 24.371,79 9.275,80 0.306,81 1.102,82 37.35,83 9.663,84 28.073,85 11.708,86 0.351,87 1.035,88 50.902,89 10.278,90 32.14,91 12.87,92 0.372,93 0.784,94 31.334,95 7.577,96 27.244,97 9.54,98 0.184,99 0.646,100 23.601,101 5.814,102 22.564,103 7.418,104 35,105 35,106 0.299,107 0.651,108 0.804,109 0.858,110 0.858,111 0.858,112 3.148,113 1.013,114 -3.4,115 -3.39,116 -3.24,119 1,121 40,122 1,123 2,126 2,127 1,144 2,145 2,146 2,154 2,159 1,161 1,176 4,179 1,180 6,183 2,187 4,191 1,192 8,200 5,206 4,211 1,214 5,218 1,219 6,224 3,227 5,232 4,237 1,239 2,243 2,244 1,247 1,249 1,251 1,256 1,261 1,264 2,268 1,269 1,272 1,281 596,282 14.861,283 14.861,284 14.861,285 14.861,286 14.861,287 13.21,288 19.042,289 8.569,290 15.346,291 11.699,292 11.699,293 11.699,294 11.699,295 11.699,296 8.992,297 21.015,298 3.861,299 12.465,300 3.645,301 1.665,302 0.807,303 0.507,304 0.507,305 0.507,306 3.822,310 1,311 1,312 1,313 408,314 3.317,317 74.527,318 45.745,320 61.018,321 66.96,324 93.751,325 1.409,326 18.096,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 47.25,338 195,339 4.856,340 3.7,341 7.221,342 4.409,343 3.447,344 4.831,345 2.186,346 12.743,347 3.314,348 4.19,349 3.576,350 6.409,351 3.769,352 2.844,353 3.711,354 0.986,355 9.698,356 2.616,357 3.789,358 3.158,359 5.827,360 3.375,361 2.429,362 3.152,363 0.366,364 7.822,365 2.267,366 3.571,367 2.68,368 5.564,369 3.145,370 2.211,371 2.863,373 6.897,374 2.037,375 3.39,376 2.313,377 4.976,378 2.96,379 1.987,380 2.634,382 5.607,383 1.918,384 2.977,385 1.988,386 4.786,387 2.502,388 1.552,389 2.102,391 4.688,392 1.469,393 2.681,394 1.698,395 4.253,396 2.285,397 1.358,398 1.733,400 3.528,401 1.206,402 2.062,403 1.317,404 3.548,405 1.951,406 0.997,407 1.042,409 1.985,410 0.928,411 1.827,412 1.105,413 3.228,414 1.676,415 0.705,416 0.767,418 1.547,419 0.681,420 1.581,421 0.902,422 3.074,423 1.346,424 0.47,425 0.504,427 0.885,428 0.39,429 1.439,430 0.879,431 2.764,432 0.994,433 0.111,434 0.135,436 0.188,437 0.079,438 1.049,439 0.343,440 2.501,441 0.653,442 -0.293,443 -0.362,445 -0.603,446 -0.263,447 0.839,448 0.001,449 2.296,450 0.469,451 -0.46,452 -0.544,454 -1,455 -0.394,456 0.63,457 -0.232,458 2,459 0.178,460 -0.786,461 -1.011,463 -1.965,464 -0.714,465 0.1,466 -0.74,467 2,468 -0.147,469 -1.099,470 -1.264,472 -2.632,473 -0.969,474 11.2,475 0.509,476 0.593,477 0.027,478 26,479 1.182,480 11.5,481 0.523,482 14.5,483 0.659,484 21.255,485 0.966,486 23.6,487 0.59,488 16.497,489 0.75,490 4.902,491 0.223,492 5.677,493 0.258,494 0.283,496 0.393,501 0.777,502 1.432,503 0.494,504 0.934,505 0.597,506 0.929,507 0.662,508 0.872,509 0.525,510 0.618,511 0.449,512 0.672,513 0.982,514 0.937,515 0.794,516 0.796,517 0.784,518 0.758,519 1.369,520 1.146,521 1.271,522 1.071,523 1.238,524 1.079,525 0.778,526 1.25,527 1.507,528 1.411,529 0.815,530 1.31,531 0.917,532 1.016,533 1.546,534 1.275,535 0.739,536 1.118,537 0.937,538 0.901,539 1.106,540 1.073,541 0.881,542 1.073,543 1.007,544 1.158,545 1.023,546 1.116,547 1.353,548 1.08,549 4,550 0.033,551 2.889,552 2.514,553 1.779,554 0.934,555 0.486,556 0.338,557 0.199,558 0.065,559 4213,560 12206,561 2.017,562 45,563 2,564 10,567 1,568 2,569 3,572 1.65,573 1.833,574 3.084,575 -0.265,577 1,582 67.064,583 1.677,584 3.657,585 4.515,586 4.815,587 4.815,588 4.815,589 2.629,590 4.369,591 4.421,592 3.195,593 738.141,594 7.627,595 7726.19,597 1,598 1,599 1,600 212.877,601 1.544,602 4.36,603 0.167,604 0.008,605 0.083,606 0.066,607 0.049,608 0.031,609 0.022,610 0.02,611 0.014,612 0.009,613 0.47,614 0.67,615 1,616 1.52,617 98.939,618 -0.041,619 -0.238,620 0.005,621 -0.071,622 -0.045,623 -0.019,624 0.239,625 0.244,626 0.072,627 0.24,628 0.215,629 0.244,630 0.005,631 0.122,632 0.102,633 0.163,634 0.013,635 0.194,636 -0.254,637 -0.053,638 -0.038,639 -0.013,640 -0.177,641 -0.131,642 0.054,643 -0.236,644 -0.061,645 -0.281,646 0.019,647 -0.296,648 -0.035,649 -0.129,650 -0.124,651 -0.163,652 0.005,653 -0.075,654 0.091,655 -0.015,656 -0.081,657 -0.074,658 0.002,659 -0.07,660 -0.05,661 -0.248,662 -0.052,663 -0.147,664 -0.039,665 -0.09,666 2.138,667 4.467,668 0.545,669 17.752,670 1.006,671 1.127,672 2.175,673 4.729,674 0.684,675 3.219,676 3.584,677 3.951,678 4.304,679 4.543,680 4.718,681 4.89,682 4.977,683 4.97,684 4.89,685 5.022,686 0.643,687 364.27,688 3.219,689 4.779,690 5.673,691 6.597,692 7.521,693 8.459,694 9.395,695 10.339,696 11.281,697 12.228,698 7.5,705 1,706 1,707 1,714 2,715 2,720 4,721 1,722 10,725 1,737 1,740 1,741 40,743 12,744 1,745 24,746 1,747 42,748 16,749 8,750 4,751 2,752 1,756 3,757 6,763 1,767 2,770 2,772 10,773 6,777 2,782 1,785 1,786 2,790 1,793 18,794 4,795 1,796 6,797 1,802 3,808 0.333,809 2,824 1,828 2,829 1,831 1,832 1,835 1,859 1,863 1,864 3,868 22,876 3,877 1,878 1,892 1,893 5,896 1,898 1,901 12,902 8.293,903 4.972,904 2.576,907 2.463,908 1.345,909 0.987,910 4.282,911 9.595,912 3.466,913 4.131,914 4.813,915 5.496,916 6.069,917 6.535,918 6.995,919 7.381,920 7.554,921 7.66,922 1,923 38,924 8.119,926 3.395,927 0.026,929 7.708,931 15.614,933 12.743,936 2.208,937 48.583,940 1,941 200.109,942 80.222,943 82.649,945 36.145,948 126.177,949 236.254,950 36.695,951 25.618,952 25.186,953 18.952,954 27.902,955 43.742,956 11.663,957 200.109,958 45.954,959 200.109,960 116.918,961 36.145,963 45.954,964 164.795,965 71.458,968 52.695,969 64.222,971 45.954,972 200.109,973 72.84,974 126.177,977 200.109,978 35.652,979 46.47,980 63.965,981 52.93,982 200.109,983 72.84,984 126.177,986 0.58,987 0.364,988 0.207,989 0.117,990 18,991 9,992 0.071,993 3,994 2,995 1.333,996 3.256,997 181.179,998 0.333,999 12,1000 98.107,1005 15.566,1006 6.051,1007 2.498,1008 2.227,1009 70.941,1010 3.799,1015 3.831,1016 2.181,1017 18.011,1018 399.125,1019 31,1024 11.467,1027 4.62,1028 0.692,1031 40.258,1032 45.077,1034 0.315,1035 0.687,1036 0.848,1037 0.905,1038 0.905,1039 0.905,1040 4.732,1041 0.997,1042 5.694,1043 3.528,1044 4.263,1045 4.816,1046 2.441,1047 6.611,1048 4.142,1049 5.981,1050 0.705,1051 7.321,1052 1.985,1053 4.007,1054 4.89,1055 1.784,1056 7.727,1057 3.815,1058 7.339,1059 0.47,1060 9.051,1061 1.547,1062 5.948,1063 7.158,1064 3.546,1065 10.914,1066 5.73,1067 8.74,1068 0.111,1069 10.841,1070 0.885,1071 6.538,1072 8.08,1073 3.59,1074 12.882,1075 6.256,1076 10.176,1077 -0.293,1078 12.67,1079 0.188,1080 7.98,1081 9.875,1082 4.918,1083 15.618,1084 7.677,1085 11.639,1086 -0.46,1087 14.526,1088 -0.603,1089 8.938,1090 11.171,1091 5.289,1092 17.932,1093 8.585,1094 13.122,1095 -0.786,1096 16.403,1097 -1,1098 10.218,1099 12.81,1100 6.39,1101 20.529,1102 9.84,1103 3.447,1104 -1.099,1105 18.296,1106 -1.965,1107 11.333,1108 14.268,1109 6.93,1110 22.981,1111 10.914,1112 2.844,1113 12.743,1114 20.203,1115 -2.632,1116 12.565,1117 15.856,1118 7.902,1119 25.535,1120 12.119,1121 2.429,1122 9.698,1123 22.12,1124 4.831,1125 13.745,1126 17.381,1127 8.539,1128 28.041,1129 13.263,1130 2.211,1131 7.822,1132 24.046,1133 3.711,1134 14.969,1135 18.956,1136 9.436,1137 30.585,1138 14.455,1139 1.987,1140 6.897,1141 25.98,1142 3.152,1143 16.177,1144 20.509,1145 10.13,1146 33.113,1147 15.627,1148 1.552,1149 5.607,1150 27.92,1151 2.863,1152 17.401,1153 22.08,1154 10.981,1155 35.654,1156 16.819,1157 1.358,1158 4.688,1159 29.865,1160 2.634,1161 18.622,1162 23.645,1163 11.71,1164 38.191,1165 18.004,1166 4298,1167 7444,1168 15.433,1169 27.37,1170 36.307,1171 37.96,1172 39.44,1173 36.29,1174 36.225,1175 46.95,1176 7.077,1177 111.175,1178 33.808,1179 5.704,1180 5.7,1181 6.987,1182 5.466,1183 5.447,1184 7.831,1185 3.889,1186 20.431,1187 5.314,1188 12.845,1189 1.513,1190 1.582,1191 1.643,1192 1.512,1193 1.509,1194 1.956,1195 0.295,1196 4.632,1197 1.409,1198 4.187,1199 4.215,1200 6.881,1201 4.114,1202 7.435,1203 4.118,1204 3.714,1205 3.752,1206 4.12,1207 3.602,1208 4.957,1209 3.6,1210 3.552,1211 3.615,1212 3.615,1213 3.291,1214 4.627,1215 3.306,1216 3.419,1217 3.499,1218 3.459,1219 3.204,1220 4.385,1221 3.215,1222 3.318,1223 3.404,1224 3.236,1225 3.121,1226 4.156,1227 3.113,1228 2.981,1229 3.031,1230 3.119,1231 2.891,1232 3.961,1233 2.844,1234 2.93,1235 2.977,1236 2.785,1237 2.714,1238 3.838,1239 2.706,1240 2.745,1241 2.852,1242 2.732,1243 2.554,1244 3.742,1245 2.543,1246 0.202,1247 0.154,1248 0.301,1249 0.184,1250 0.144,1251 4.856,1252 0.201,1253 3.7,1254 0.091,1255 7.221,1256 0.531,1257 4.409,1258 0.138,1259 3.447,1260 4.831,1261 2.186,1262 12.743,1263 3.314,1264 1.935,1265 1.922,1266 1.982,1267 2.024,1268 1.232,1269 2.018,1270 1.665,1271 1.614,1272 1.855,1273 1.847,1274 1.043,1275 1.847,1276 1.554,1277 1.494,1278 1.762,1279 1.75,1280 0.99,1281 1.753,1282 1.418,1283 1.35,1284 1.698,1285 1.726,1286 0.861,1287 1.721,1288 1.369,1289 1.286,1290 1.664,1291 1.582,1292 0.681,1293 1.621,1294 1.129,1295 1.061,1296 1.393,1297 1.329,1298 0.533,1299 1.352,1300 0.876,1301 0.833,1302 1.066,1303 1.205,1304 0.139,1305 1.178,1306 0.742,1307 0.7,1308 1.009,1309 0.912,1310 0.104,1311 0.956,1312 3.892,1314 5.242,1315 3.045,1316 6.797,1317 5.533,1318 8.457,1319 7.751,1320 10.182,1321 3.607,1322 5.657,1328 2.727,1329 2.464,1330 5.309,1340 25.733,1341 67.064,1342 146.274,1343 180.612,1344 192.612,1345 192.612,1346 192.612,1347 31.229,1348 7.132,1349 55.62,1350 55.62,1351 16,1352 12.72,1353 3.7,1354 3,1355 34.322,1356 65,1357 74,1358 0.275,1359 164.793,1360 280.5,1361 393.854,1362 9884,1363 2.5,1364 15.853,1365 0.721,1366 0.657,1367 16.853,1368 14.451,1369 10.579,1370 0.441,1371 0.338,1372 7.244,1373 9.627,1374 6.942,1375 5.769,1376 11.156,1377 8.104,1378 9.413,1379 0.269,1380 0.172,1381 10.08,1382 6.012,1383 8.464,1384 0.166,1385 0.094,1386 9.32,1387 4.797,1388 7.305,1389 0.1,1390 0.051,1391 8.102,1392 3.758,1393 5.916,1394 0.064,1395 0.028,1396 6.741,1397 2.629,1398 0.412,1399 74.873,1400 0.255,1401 21.14,1402 0.811,1403 118,1404 351.749,1405 196.147,1406 371.815,1407 504.57,1408 348,1409 145,1410 353.333,1411 198.285,1412 367.207,1413 549.08,1414 346,1415 6.854}
{0 CHEMBL1618106,1 1.284,2 10.292,3 6.026,4 36.315,5 101.371,6 6.047,7 0.423,8 4.038,9 4.177,10 3.43,11 3.575,12 4.918,13 3.506,14 4.635,15 4.848,16 3.728,17 3.975,18 5.418,19 3.865,20 4.909,21 5.176,22 3.826,23 4.114,24 5.636,25 3.979,26 4.9,27 5.164,28 3.773,29 4.1,30 5.641,31 3.956,32 4.902,33 5.168,34 3.727,35 4.102,36 5.621,37 3.942,38 4.91,39 5.178,40 3.627,41 4.082,42 5.586,43 3.903,44 4.919,45 5.207,46 3.477,47 4,48 5.571,49 3.803,50 4.811,51 5.104,52 3.296,53 3.872,54 5.428,55 3.661,56 0.066,57 0.747,58 13.387,59 5.533,60 8.683,61 7.913,62 0.164,63 1.223,64 23.907,65 9.213,66 17.115,67 13.448,68 0.222,69 1.518,70 30.819,71 11.222,72 23.925,73 16.92,74 0.263,75 1.526,76 30.771,77 10.91,78 25.163,79 16.587,80 0.322,81 1.497,82 30.661,83 11.362,84 25.952,85 17.023,86 0.208,87 1.474,88 30.578,89 11.727,90 21.296,91 17.306,92 0.264,93 1.409,94 30.831,95 11.249,96 23.998,97 16.673,98 0.239,99 1.223,100 27.444,101 10.344,102 20.664,103 15.053,104 15,105 34,106 0.216,107 0.49,108 0.706,109 0.834,110 0.876,111 0.876,112 3.229,113 1.104,114 -4.8,115 -4.71,116 -4.43,121 38.9,122 1,123 9,126 1,127 1,144 3,145 2,146 2,148 2,176 11,180 6,185 3,187 11,192 6,197 3,200 9,206 1,209 1,211 4,214 9,218 1,219 1,222 1,224 3,227 12,232 2,237 1,239 11,244 4,249 1,251 10,256 3,264 9,269 2,277 9,281 960,282 16.845,283 16.845,284 16.845,285 16.845,286 16.845,287 15.585,288 16.096,289 10.499,290 17.135,291 12.796,292 12.796,293 12.796,294 12.796,295 12.796,296 10.697,297 17.059,298 4.923,299 13.176,300 4.471,301 2.84,302 1.562,303 0.797,304 0.546,305 0.546,306 3.918,312 1,313 525,314 3.317,318 148.785,322 169.593,325 1.375,326 11.231,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 50,338 247,339 4.654,340 3.372,341 6.837,342 4.218,343 3.239,344 4.585,345 0.86,346 11.382,347 3.172,348 3.998,349 2.876,350 6.013,351 3.61,352 2.632,353 3.532,354 0.4,355 8.528,356 2.576,357 3.53,358 2.514,359 5.387,360 3.17,361 2.217,362 2.924,364 6.725,365 2.109,366 3.519,367 2.326,368 5.221,369 3.091,370 2.148,371 2.847,373 6.478,374 2.016,375 2.863,376 1.886,377 4.136,378 2.84,379 1.844,380 1.869,382 3.719,383 1.836,384 2.621,385 1.643,386 3.958,387 2.456,388 1.476,389 1.658,391 3.384,392 1.446,393 2.519,394 1.452,395 3.765,396 2.41,397 1.417,398 1.52,400 3.163,401 1.406,402 2.452,403 1.401,404 3.591,405 2.253,406 1.256,407 1.451,409 2.897,410 1.251,411 2.065,412 1.103,413 3.324,414 1.976,415 1,416 1.047,418 2.14,419 0.974,420 1.856,421 1.098,422 3.062,423 1.644,424 0.679,425 0.771,427 1.35,428 0.651,429 1.649,430 0.705,431 2.802,432 1.436,433 0.535,434 0.582,436 0.922,437 0.478,438 1.317,439 0.299,440 2.679,441 1.118,442 0.168,443 0.184,445 0.3,446 0.159,447 1.009,448 0.003,449 2.516,450 0.801,451 -0.159,452 -0.18,454 -0.316,455 -0.152,456 0.923,457 -0.267,458 2.202,459 0.565,460 -0.401,461 -0.494,463 -0.92,464 -0.385,465 0.584,466 -0.539,467 2.132,468 0.351,469 -0.634,470 -0.683,472 -1.263,473 -0.624,474 11.633,475 0.485,476 0.342,477 0.014,478 25.5,479 1.063,480 11,481 0.458,482 14.5,483 0.604,484 24.538,485 1.022,486 27.367,487 0.507,488 15.06,489 0.628,490 4.155,491 0.173,492 7.675,493 0.32,494 0.086,496 0.258,501 0.921,502 1.341,503 1.017,504 1.224,505 0.864,506 1.141,507 1.18,508 1.204,509 1.029,510 1.096,511 0.919,512 1.06,513 0.954,514 1.058,515 0.869,516 0.92,517 0.853,518 0.889,519 1.028,520 1.061,521 1.022,522 0.993,523 1.105,524 0.995,525 0.769,526 1.015,527 1.023,528 1.018,529 0.883,530 1.029,531 0.91,532 1.127,533 1.085,534 1.14,535 0.978,536 1.125,537 1.31,538 0.977,539 1.113,540 1.023,541 1.29,542 1.046,543 1.369,544 0.921,545 1.084,546 0.986,547 1.249,548 1.015,549 3,550 0.078,551 2,552 1.25,553 1.431,554 0.583,555 0.442,556 0.236,557 0.156,558 0.113,559 6030,560 10287,561 2.089,562 55.6,563 17,564 8,567 1,568 2,569 2,572 1.672,573 2,574 3.266,575 -0.424,582 69.319,583 1.284,584 2.915,585 4.193,586 4.958,587 5.208,588 5.208,589 2.674,590 4.335,591 4.543,592 3.439,593 949.051,594 7.868,595 11141.4,600 310.764,601 1.189,602 4.536,603 0.115,604 0.006,605 0.059,606 0.034,607 0.042,608 0.018,609 0.016,610 0.01,611 0.008,612 0.007,613 0.316,614 0.5,615 1,616 1.935,617 113.823,618 0.032,619 -0.075,620 0.06,621 -0.023,622 0.109,623 0.015,624 -0.039,625 -0.087,626 0.013,627 -0.016,628 0.116,629 -0.003,630 0.029,631 -0.02,632 0.134,633 0.075,634 0.155,635 0.106,636 -0.006,637 0.014,638 -0.006,639 -0.009,640 -0.031,641 -0.008,642 0.149,643 0.038,644 -0.023,645 -0.021,646 0.058,647 -0.032,648 -0.035,649 -0.109,650 -0.101,651 -0.132,652 -0.075,653 -0.122,654 -0.12,655 -0.005,656 -0.119,657 -0.065,658 -0.181,659 -0.086,660 -0.131,661 0.007,662 -0.1,663 -0.025,664 -0.168,665 -0.055,666 0.758,667 1.936,668 0.583,669 23,670 0.98,671 1.13,672 3.573,673 12.77,674 0.632,675 3.296,676 3.555,677 3.85,678 4.143,679 4.454,680 4.564,681 4.71,682 4.828,683 4.905,684 4.771,685 5.904,686 0.577,687 326.53,688 3.296,689 4.796,690 5.638,691 6.506,692 7.382,693 8.27,694 9.163,695 10.061,696 10.962,697 11.866,698 3.7,703 1,708 1,714 2,715 3,716 1,720 4,722 11,734 1,739 1,741 54,743 11,744 1,745 26,747 56,748 21,749 9,750 3,751 3,756 3,757 6,763 1,767 4,770 9,772 9,773 12,793 30,794 3,795 1,796 3,802 2,808 0.333,809 1,822 1,829 3,833 2,859 1,864 2,868 24,876 10,877 1,878 1,893 1.9,898 1,901 12,902 10.117,903 5.611,904 3.94,907 2.419,908 1.335,909 0.966,910 6.226,911 9.642,912 3.481,913 4.034,914 4.663,915 5.302,916 5.954,917 6.337,918 6.738,919 7.106,920 7.424,921 7.31,922 0.857,923 37,924 8.931,926 3.633,927 0.026,929 7.333,931 18.092,933 14.959,936 1.833,937 44,938 0.001,941 341.362,942 91.713,943 34.796,945 11,948 91.713,949 352.362,950 34.796,951 19.708,952 24.916,953 28.429,954 34.796,955 29.659,957 341.362,959 341.362,960 126.509,961 11,964 317.82,965 34.542,968 38.643,969 53.071,970 34.796,972 341.362,973 45.796,974 91.713,977 341.362,978 43.576,979 48.137,980 18.011,981 27.785,982 341.362,983 45.796,984 91.713,986 0.549,987 0.324,988 0.183,989 0.109,990 15,991 6,992 0.143,993 8,994 2,995 1.286,996 3.645,997 190.898,998 0.286,999 14,1000 110.039,1005 17.384,1006 8.595,1007 4.163,1008 2.3,1009 45.796,1010 6.241,1011 4.925,1015 4.957,1017 18.011,1018 478.871,1019 31.5,1031 52.901,1032 61.019,1034 0.223,1035 0.506,1036 0.729,1037 0.862,1038 0.905,1039 0.905,1040 4.689,1041 1.256,1042 5.58,1043 3.163,1044 4.234,1045 4.718,1046 1.029,1047 6.378,1048 4.179,1049 5.85,1050 1,1051 7.117,1052 2.897,1053 3.611,1054 4.559,1056 7.286,1057 3.526,1058 7.147,1059 0.679,1060 8.768,1061 2.14,1062 5.784,1063 6.962,1064 0.763,1065 10.452,1066 5.681,1067 8.492,1068 0.535,1069 10.491,1070 1.35,1071 6.089,1072 7.727,1074 12.261,1075 5.957,1076 9.882,1077 0.168,1078 12.262,1079 0.922,1080 7.654,1081 9.587,1082 0.597,1083 14.937,1084 7.51,1085 11.303,1086 -0.159,1087 14.066,1088 0.3,1089 8.42,1090 10.761,1092 17.107,1093 8.252,1094 12.747,1095 -0.401,1096 15.894,1097 -0.316,1098 9.734,1099 12.414,1100 0.47,1101 19.622,1102 9.553,1103 3.239,1104 -0.634,1105 17.738,1106 -0.92,1107 10.723,1108 13.777,1110 21.943,1111 10.52,1112 2.632,1113 11.382,1114 19.597,1115 -1.263,1116 11.939,1117 15.348,1118 0.367,1119 24.403,1120 11.722,1121 2.217,1122 8.528,1123 21.465,1124 4.585,1125 13.029,1126 16.798,1128 26.786,1129 12.791,1130 2.148,1131 6.725,1132 23.342,1133 3.532,1134 14.211,1135 18.338,1136 0.283,1137 29.227,1138 13.955,1139 1.844,1140 6.478,1141 25.226,1142 2.924,1143 15.346,1144 19.827,1146 31.636,1147 15.07,1148 1.476,1149 3.719,1150 27.116,1151 2.847,1152 16.518,1153 21.354,1154 0.217,1155 34.071,1156 16.223,1157 1.417,1158 3.384,1159 29.01,1160 1.869,1161 17.673,1162 22.861,1164 36.492,1165 17.357,1166 6006,1167 8025,1168 17.682,1169 34.126,1170 37.013,1171 37.768,1172 38.779,1173 37.183,1174 37.222,1175 45.942,1176 2.52,1177 101.977,1178 36.145,1179 5.603,1180 5.372,1181 6.8,1182 5.26,1183 5.239,1184 7.585,1185 1.72,1186 18.916,1187 5.172,1188 9.311,1189 1.424,1190 1.453,1191 1.492,1192 1.43,1193 1.432,1194 1.767,1195 0.097,1196 3.922,1197 1.39,1198 4.116,1199 4.145,1200 4.08,1201 4.04,1202 4.999,1203 4.047,1204 3.767,1205 3.833,1206 3.643,1207 3.655,1208 4.648,1209 3.645,1210 3.742,1211 3.785,1212 3.592,1213 3.636,1214 4.282,1215 3.616,1216 3.54,1217 3.621,1218 3.362,1219 3.375,1220 4.199,1221 3.359,1222 3.35,1223 3.407,1224 3.207,1225 3.175,1226 4.145,1227 3.172,1228 3.233,1229 3.316,1230 3.071,1231 3.016,1232 3.896,1233 3.021,1234 3.082,1235 3.172,1236 2.874,1237 2.913,1238 3.849,1239 2.885,1240 3.076,1241 3.159,1242 2.853,1243 2.872,1244 3.622,1245 2.858,1246 0.179,1247 0.13,1248 0.263,1249 0.162,1250 0.125,1251 4.654,1252 0.176,1253 3.372,1254 0.033,1255 6.837,1256 0.438,1257 4.218,1258 0.122,1259 3.239,1260 4.585,1261 0.86,1262 11.382,1263 3.172,1264 2.069,1265 2.046,1266 2.152,1267 2.163,1268 1.437,1269 2.161,1270 1.778,1271 1.716,1272 2.036,1273 1.942,1274 1.377,1275 1.977,1276 1.752,1277 1.709,1278 1.936,1279 1.88,1280 1.161,1281 1.901,1282 1.552,1283 1.476,1284 1.845,1285 1.758,1286 1.104,1287 1.791,1288 1.316,1289 1.26,1290 1.597,1291 1.561,1292 0.788,1293 1.574,1294 1.208,1295 1.13,1296 1.559,1297 1.479,1298 0.746,1299 1.509,1300 1.118,1301 1.032,1302 1.456,1303 1.33,1304 0.624,1305 1.378,1306 1.088,1307 1.004,1308 1.38,1309 1.299,1310 0.547,1311 1.334,1312 3.97,1314 5.242,1316 6.739,1318 8.359,1320 10.052,1322 3.995,1328 12.399,1329 3.748,1330 5.436,1340 31.133,1341 69.319,1342 157.391,1343 226.441,1344 267.744,1345 281.254,1346 281.254,1347 34.133,1348 7.223,1349 34.15,1350 34.15,1351 18,1352 12.387,1353 3.585,1354 2.7,1355 39.166,1356 78,1357 120,1358 0.235,1359 192.977,1360 330.57,1361 462.625,1362 12676,1364 16.778,1365 0.699,1366 0.632,1367 16.778,1368 15.159,1369 11.83,1370 0.455,1371 0.368,1372 9.489,1373 11.544,1374 9.222,1375 7.75,1376 11.83,1377 9.565,1378 9.676,1379 0.285,1380 0.201,1381 9.676,1382 6.843,1383 8.298,1384 0.18,1385 0.11,1386 8.298,1387 5.051,1388 6.934,1389 0.112,1390 0.059,1391 6.934,1392 3.674,1393 6.042,1394 0.071,1395 0.032,1396 6.042,1397 2.75,1398 0.364,1399 72.958,1400 0.238,1401 23.415,1402 0.66,1403 120,1404 259.714,1405 126.653,1406 253.637,1407 361.14,1408 242,1409 140,1410 274.052,1411 146.988,1412 279.938,1413 411.97,1414 265,1415 6.569}
{0 CHEMBL1618217,1 1.299,2 9.435,3 5.57,4 31.025,5 96.77,6 6.127,7 0.44,8 3.986,9 4.123,10 3.391,11 3.524,12 4.879,13 3.459,14 4.579,15 4.789,16 3.695,17 3.924,18 5.376,19 3.82,20 4.845,21 5.108,22 3.796,23 4.062,24 5.591,25 3.934,26 4.836,27 5.095,28 3.741,29 4.047,30 5.597,31 3.911,32 4.838,33 5.099,34 3.693,35 4.049,36 5.575,37 3.896,38 4.846,39 5.11,40 3.59,41 4.028,42 5.541,43 3.855,44 4.857,45 5.141,46 3.428,47 3.946,48 5.518,49 3.754,50 4.738,51 5.022,52 3.245,53 3.82,54 5.362,55 3.61,56 0.061,57 0.708,58 12.564,59 5.19,60 8.286,61 7.402,62 0.157,63 1.16,64 22.538,65 8.644,66 16.514,67 12.592,68 0.212,69 1.439,70 29.029,71 10.499,72 23.078,73 15.819,74 0.253,75 1.446,76 28.966,77 10.179,78 24.4,79 15.474,80 0.312,81 1.418,82 28.873,83 10.627,84 25.181,85 15.92,86 0.199,87 1.395,88 28.821,89 11.002,90 21.059,91 16.219,92 0.261,93 1.33,94 29.147,95 10.58,96 23.164,97 15.637,98 0.214,99 1.142,100 25.61,101 9.933,102 18.95,103 14.264,104 14,105 33,106 0.221,107 0.508,108 0.728,109 0.848,110 0.874,111 0.874,112 3.189,113 1.088,114 -4.58,115 -4.5,116 -4.24,121 39.2,122 1,123 8,126 1,127 1,144 3,145 2,146 2,148 2,176 10,180 6,185 3,187 10,192 6,197 3,200 8,206 1,209 1,211 4,214 8,218 1,219 1,222 1,224 3,227 11,232 2,237 1,239 11,244 4,251 10,256 3,264 9,269 2,277 7,281 826,282 16.137,283 16.137,284 16.137,285 16.137,286 16.137,287 14.877,288 16.096,289 9.999,290 16.428,291 12.296,292 12.296,293 12.296,294 12.296,295 12.296,296 10.197,297 17.059,298 4.673,299 12.676,300 4.373,301 2.687,302 1.398,303 0.696,304 0.539,305 0.539,306 3.877,311 1,312 1,313 461,314 3.162,318 138.432,322 157.507,325 1.285,326 11.106,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 48,338 217,339 4.654,340 3.372,341 6.837,342 4.218,343 3.239,344 4.585,345 0.86,346 11.382,347 3.172,348 3.998,349 2.876,350 6.013,351 3.61,352 2.632,353 3.532,354 0.4,355 8.528,356 2.576,357 3.53,358 2.514,359 5.387,360 3.17,361 2.217,362 2.924,364 6.725,365 2.108,366 3.519,367 2.326,368 5.221,369 3.091,370 2.148,371 2.847,373 6.478,374 2.016,375 2.827,376 1.861,377 4.136,378 2.795,379 1.801,380 1.835,382 3.644,383 1.789,384 2.609,385 1.594,386 3.95,387 2.424,388 1.436,389 1.644,391 3.384,392 1.418,393 2.509,394 1.409,395 3.716,396 2.311,397 1.332,398 1.51,400 3.111,401 1.301,402 2.352,403 1.382,404 3.571,405 2.253,406 1.256,407 1.349,409 2.724,410 1.251,411 1.98,412 1.101,413 3.197,414 1.845,415 0.863,416 0.937,418 1.855,419 0.846,420 1.789,421 0.955,422 3.029,423 1.526,424 0.617,425 0.698,427 1.139,428 0.553,429 1.504,430 0.539,431 2.725,432 1.336,433 0.399,434 0.432,436 0.673,437 0.373,438 1.206,439 0.168,440 2.554,441 0.948,447 0.924,448 -0.239,449 2.489,450 0.574,451 -0.388,452 -0.441,454 -0.759,455 -0.372,456 0.732,457 -0.319,458 2.145,459 0.552,460 -0.425,461 -0.507,463 -0.97,464 -0.414,465 0.512,466 -0.608,467 2,468 0.15,469 -0.835,470 -0.935,472 -1.936,473 -0.816,474 11.133,475 0.484,476 0.342,477 0.015,478 25,479 1.087,480 11,481 0.478,482 14,483 0.609,484 22.748,485 0.989,486 26.067,487 0.511,488 14.834,489 0.645,490 4.155,491 0.181,492 7.175,493 0.312,494 0.09,496 0.269,501 0.918,502 1.334,503 0.998,504 1.211,505 0.863,506 1.124,507 1.184,508 1.19,509 1.009,510 1.074,511 0.921,512 1.037,513 0.965,514 1.064,515 0.866,516 0.917,517 0.864,518 0.884,519 1.041,520 1.066,521 1.029,522 0.994,523 1.125,524 0.997,525 0.776,526 1.017,527 1.029,528 1.021,529 0.896,530 1.034,531 0.92,532 1.137,533 1.096,534 1.151,535 0.98,536 1.136,537 1.343,538 0.937,539 1.13,540 1.006,541 1.327,542 1.041,543 1.281,544 0.976,545 1.093,546 1.051,547 1.19,548 1.067,549 3,550 0.07,551 2,552 1.25,553 1.431,554 0.583,555 0.442,556 0.236,557 0.156,558 0.112,559 5201,560 9106,561 2.093,562 54.9,563 15,564 8,567 1,568 2,569 2,572 1.663,573 2,574 3.165,575 -0.412,582 66.249,583 1.299,584 2.985,585 4.275,586 4.976,587 5.133,588 5.133,589 2.616,590 4.35,591 4.483,592 3.319,593 839.593,594 7.756,595 9447.07,600 289.294,601 1.214,602 4.473,603 0.12,604 0.008,605 0.061,606 0.035,607 0.043,608 0.019,609 0.016,610 0.011,611 0.009,612 0.008,613 0.329,614 0.5,615 1,616 1.793,617 106.611,618 0.029,619 -0.079,620 0.062,621 -0.024,622 0.1,623 0.016,624 -0.042,625 -0.078,626 0.024,627 -0.002,628 0.112,629 0.011,630 0.023,631 -0.022,632 0.136,633 0.077,634 0.147,635 0.109,636 -0.015,637 0.014,638 -0.015,639 -0.014,640 -0.048,641 -0.013,642 0.145,643 0.04,644 -0.032,645 -0.026,646 0.046,647 -0.039,648 -0.042,649 -0.117,650 -0.114,651 -0.144,652 -0.076,653 -0.134,654 -0.145,655 0.036,656 -0.136,657 -0.05,658 -0.217,659 -0.083,660 -0.111,661 -0.057,662 -0.117,663 -0.07,664 -0.149,665 -0.092,666 0.76,667 1.923,668 0.609,669 20.416,670 0.981,671 1.129,672 3.35,673 11.226,674 0.635,675 3.258,676 3.526,677 3.829,678 4.127,679 4.443,680 4.554,681 4.7,682 4.82,683 4.89,684 4.736,685 5.498,686 0.581,687 312.5,688 3.258,689 4.762,690 5.609,691 6.482,692 7.362,693 8.253,694 9.149,695 10.05,696 10.953,697 11.859,698 3.9,703 1,708 1,714 2,715 3,716 1,720 4,722 11,734 1,739 1,741 51,743 11,744 1,745 25,747 53,748 20,749 9,750 3,751 3,756 3,757 6,763 1,767 4,770 8,772 9,773 11,793 28,794 3,795 1,796 3,802 2,808 0.333,809 1,822 1,829 3,833 2,859 1,864 2,868 23,876 9,877 1,878 1,893 2,898 1,901 11.5,902 9.617,903 5.361,904 3.69,907 2.42,908 1.338,909 0.97,910 5.636,911 9.574,912 3.45,913 4.016,914 4.654,915 5.297,916 5.951,917 6.335,918 6.736,919 7.105,920 7.423,921 7.305,922 1,923 36,924 8.552,926 3.49,927 0.026,929 7.348,931 17.276,933 14.293,936 1.848,937 42.5,938 0.001,941 317.82,942 89.179,943 34.796,945 11,948 89.179,949 328.82,950 34.796,951 19.708,952 22.382,953 28.429,954 34.796,955 29.659,957 317.82,959 317.82,960 123.975,961 11,964 294.278,965 34.542,968 36.108,969 53.071,970 34.796,972 317.82,973 45.796,974 89.179,977 317.82,978 41.042,979 48.137,980 18.011,981 27.785,982 317.82,983 45.796,984 89.179,986 0.552,987 0.327,988 0.186,989 0.111,990 15,991 6,992 0.132,993 7,994 2,995 1.286,996 3.524,997 182.361,998 0.286,999 14,1000 104.042,1005 16.417,1006 7.896,1007 3.732,1008 2.294,1009 45.796,1010 6.229,1011 4.914,1015 4.946,1017 18.011,1018 452.794,1019 30.5,1031 50.018,1032 57.604,1034 0.229,1035 0.526,1036 0.754,1037 0.877,1038 0.905,1039 0.905,1040 4.661,1041 1.256,1042 5.557,1043 3.111,1044 4.205,1045 4.7,1046 1.029,1047 6.365,1048 4.148,1049 5.829,1050 0.863,1051 7.101,1052 2.724,1053 3.611,1054 4.559,1056 7.286,1057 3.526,1058 7.131,1059 0.617,1060 8.757,1061 1.855,1062 5.765,1063 6.957,1064 0.763,1065 10.449,1066 5.66,1067 8.482,1068 0.399,1069 10.484,1070 1.139,1071 6.089,1072 7.727,1074 12.261,1075 5.957,1076 9.875,1078 12.258,1079 0.673,1080 7.644,1081 9.585,1082 0.597,1083 14.936,1084 7.499,1085 11.298,1086 -0.388,1087 14.063,1089 8.42,1090 10.761,1092 17.107,1093 8.252,1094 12.743,1095 -0.425,1096 15.892,1097 -0.759,1098 9.73,1099 12.414,1100 0.47,1101 19.622,1102 9.548,1103 3.239,1104 -0.835,1105 17.737,1106 -0.97,1107 10.723,1108 13.777,1110 21.943,1111 10.52,1112 2.632,1113 11.382,1114 19.596,1115 -1.936,1116 11.937,1117 15.348,1118 0.367,1119 24.403,1120 11.72,1121 2.217,1122 8.528,1123 21.465,1124 4.585,1125 13.029,1126 16.798,1128 26.786,1129 12.791,1130 2.148,1131 6.725,1132 23.342,1133 3.532,1134 14.21,1135 18.338,1136 0.283,1137 29.227,1138 13.955,1139 1.801,1140 6.478,1141 25.226,1142 2.924,1143 15.346,1144 19.827,1146 31.636,1147 15.07,1148 1.436,1149 3.644,1150 27.116,1151 2.847,1152 16.518,1153 21.354,1154 0.217,1155 34.071,1156 16.222,1157 1.332,1158 3.384,1159 29.01,1160 1.835,1161 17.673,1162 22.861,1164 36.492,1165 17.357,1166 5189,1167 7023,1168 16.989,1169 32.364,1170 35.702,1171 36.468,1172 37.485,1173 35.861,1174 35.879,1175 44.587,1176 2.52,1177 99.287,1178 34.806,1179 5.602,1180 5.372,1181 6.788,1182 5.26,1183 5.239,1184 7.585,1185 1.72,1186 18.916,1187 5.172,1188 8.976,1189 1.428,1190 1.459,1191 1.499,1192 1.434,1193 1.435,1194 1.783,1195 0.101,1196 3.971,1197 1.392,1198 4.116,1199 4.144,1200 4.08,1201 4.04,1202 4.999,1203 4.046,1204 3.751,1205 3.814,1206 3.643,1207 3.653,1208 4.648,1209 3.644,1210 3.737,1211 3.785,1212 3.571,1213 3.613,1214 4.28,1215 3.593,1216 3.483,1217 3.566,1218 3.313,1219 3.306,1220 4.198,1221 3.295,1222 3.331,1223 3.387,1224 3.184,1225 3.146,1226 4.118,1227 3.142,1228 3.185,1229 3.264,1230 3.022,1231 2.998,1232 3.879,1233 2.998,1234 3.078,1235 3.166,1236 2.874,1237 2.874,1238 3.796,1239 2.859,1240 2.987,1241 3.09,1242 2.734,1243 2.774,1244 3.547,1245 2.75,1246 0.186,1247 0.135,1248 0.273,1249 0.169,1250 0.13,1251 4.654,1252 0.183,1253 3.372,1254 0.034,1255 6.837,1256 0.455,1257 4.218,1258 0.127,1259 3.239,1260 4.585,1261 0.86,1262 11.382,1263 3.172,1264 2.069,1265 2.046,1266 2.152,1267 2.163,1268 1.437,1269 2.161,1270 1.759,1271 1.712,1272 2.02,1273 1.927,1274 1.351,1275 1.962,1276 1.751,1277 1.692,1278 1.936,1279 1.88,1280 1.152,1281 1.901,1282 1.487,1283 1.407,1284 1.788,1285 1.707,1286 1.026,1287 1.738,1288 1.29,1289 1.236,1290 1.584,1291 1.549,1292 0.758,1293 1.56,1294 1.178,1295 1.104,1296 1.494,1297 1.413,1298 0.664,1299 1.446,1300 1.092,1301 1.006,1302 1.436,1303 1.32,1304 0.596,1305 1.363,1306 1.013,1307 0.912,1308 1.349,1309 1.252,1310 0.54,1311 1.292,1312 3.932,1314 5.209,1316 6.715,1318 8.343,1320 10.041,1322 3.983,1328 10.98,1329 3.73,1330 5.423,1340 29.606,1341 66.249,1342 152.235,1343 218.009,1344 253.784,1345 261.784,1346 261.784,1347 31.41,1348 7.154,1349 34.15,1350 34.15,1351 18,1352 12.378,1353 3.585,1354 2.7,1355 36.635,1356 70,1357 105,1358 0.248,1359 183.385,1360 313.27,1361 439.219,1362 11392,1364 16.071,1365 0.699,1366 0.628,1367 16.071,1368 14.451,1369 11.33,1370 0.453,1371 0.363,1372 8.989,1373 11.044,1374 8.732,1375 7.333,1376 11.33,1377 9.065,1378 9.322,1379 0.282,1380 0.197,1381 9.322,1382 6.49,1383 8.048,1384 0.179,1385 0.107,1386 8.048,1387 4.801,1388 6.758,1389 0.111,1390 0.057,1391 6.758,1392 3.497,1393 5.917,1394 0.07,1395 0.031,1396 5.917,1397 2.625,1398 0.379,1399 69.958,1400 0.243,1401 22.385,1402 0.713,1403 116,1404 255.714,1405 122.653,1406 249.475,1407 355.38,1408 238,1409 136,1410 270.052,1411 142.988,1412 275.776,1413 406.21,1414 261,1415 7}
{0 CHEMBL161880,1 1.447,2 5.875,3 3.527,4 12.44,5 66.845,6 7.573,7 0.333,8 3.532,9 3.656,10 3.137,11 3.139,12 4.447,13 3.083,14 4.127,15 4.319,16 3.523,17 3.565,18 4.992,19 3.477,20 4.456,21 4.694,22 3.692,23 3.767,24 5.264,25 3.65,26 4.483,27 4.741,28 3.491,29 3.66,30 5.304,31 3.49,32 4.239,33 4.534,34 3.104,35 3.409,36 4.918,37 3.214,38 3.896,39 4.148,40 2.873,41 3.175,42 4.627,43 2.964,44 3.692,45 3.934,46 2.625,47 2.939,48 4.494,49 2.687,50 3.322,51 3.652,52 1.127,53 2.219,54 3.941,55 1.815,56 0.018,57 0.447,58 6.514,59 2.905,60 2.915,61 4.074,62 0.104,63 0.772,64 13.587,65 5.18,66 8.77,67 7.341,68 0.152,69 1,70 21.693,71 7.307,72 14.302,73 10.379,74 0.294,75 0.958,76 25.612,77 7.338,78 24.41,79 10.491,80 0.148,81 0.723,82 18.946,83 6.363,84 13.955,85 9.014,86 0.081,87 0.491,88 14.267,89 5.003,90 8.91,91 6.826,92 0.088,93 0.361,94 14.165,95 4.267,96 10.435,97 5.625,98 0.088,99 0.217,100 11.079,101 2.926,102 9.79,103 3.925,104 2,105 25,106 0.278,107 0.596,108 0.788,109 0.877,110 0.877,111 0.877,112 2.856,113 1.054,114 -4.87,115 -4.78,116 -4.48,121 41.9,123 4,127 2,144 3,145 1,146 2,160 1,176 5,179 1,180 6,187 7,192 4,200 3,206 7,214 4,219 1,227 4,239 7,251 6,281 160,282 11.069,283 11.069,284 11.069,285 11.069,286 11.069,287 10.081,288 13.729,289 6.625,290 11.334,291 8.91,292 8.91,293 8.91,294 8.91,295 8.91,296 7.404,297 16.955,298 3.165,299 9.42,300 3.507,301 1.848,302 0.847,303 0.387,304 0.387,305 0.387,306 3.539,308 1,311 1,312 1,313 207,314 1.581,318 47.566,319 30.925,322 40.438,323 44.884,325 0.906,326 8.619,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 33.333,338 94,339 4.439,340 3.523,341 6.542,342 4.062,343 3.115,344 4.074,345 1.469,346 10.341,347 2.943,348 3.911,349 3.099,350 6.027,351 3.571,352 2.64,353 3.198,354 0.739,355 8.585,356 2.45,357 3.282,358 2.373,359 5.067,360 2.906,361 1.99,362 2.485,363 0.169,364 5.857,365 1.794,366 2.942,367 2.163,368 4.479,369 2.643,370 1.673,371 2.087,373 4.436,374 1.618,375 2.747,376 1.654,377 3.926,378 2.532,379 1.567,380 1.751,382 3.366,383 1.479,384 2.595,385 1.5,386 3.723,387 2.369,388 1.38,389 1.598,391 3.211,392 1.36,393 1.937,394 1.151,395 3.247,396 1.723,397 0.787,398 0.867,400 1.837,401 0.709,402 1.274,403 0.47,404 2.731,405 0.921,411 0.961,412 0.155,413 2.411,414 0.828,415 -0.133,416 -0.138,418 -0.324,419 -0.125,420 0.879,421 -0.086,422 2.351,423 0.537,424 -0.376,425 -0.445,427 -0.876,428 -0.318,429 0.333,430 -0.476,431 2.314,432 0.044,433 -0.852,434 -0.939,436 -2.403,437 -0.718,438 0.211,439 -0.712,440 1.825,441 -0.03,442 -1,443 -1.257,445 -2.609,446 -0.967,447 -0.07,448 -1.104,449 1.332,450 -0.558,451 -1.388,452 -1.789,454 -3.574,455 -1.159,456 -0.425,457 -1.438,458 1.298,459 -0.735,460 -1.648,461 -1.822,463 -3.968,464 -1.585,465 -0.5,466 -1.469,467 1.195,468 -0.843,469 -1.794,470 -1.912,472 -5.19,473 -1.704,474 8.014,475 0.501,476 0.329,477 0.021,478 18.5,479 1.156,480 8,481 0.5,482 10.5,483 0.656,484 13.422,485 0.839,486 17.186,487 0.554,488 9.237,489 0.577,490 3.182,491 0.199,492 4.661,493 0.291,494 0.089,496 0.299,501 0.667,502 1.375,503 0.615,504 0.989,505 0.536,506 0.949,507 0.83,508 1.159,509 0.69,510 0.918,511 0.571,512 0.94,513 1.015,514 1.092,515 0.785,516 0.866,517 0.833,518 0.877,519 1.192,520 1.042,521 1.113,522 1.079,523 1.13,524 1.092,525 0.857,526 0.737,527 0.779,528 0.776,529 0.868,530 0.838,531 0.853,532 0.944,533 1.135,534 1.126,535 1.085,536 1.128,537 1.401,538 1.046,539 1.81,540 1.441,541 1.85,542 1.363,543 1.45,544 0.786,545 1.884,546 1.351,547 1.837,548 1.226,549 2.5,551 1.778,552 0.938,553 1.068,554 0.385,555 0.121,556 0.056,559 1903,560 4295,561 2.174,562 48.4,563 4,564 7,568 2,569 2,572 1.556,573 2.087,574 2.653,575 -0.795,577 1,579 1,582 44.871,583 1.447,584 3.106,585 4.107,586 4.567,587 4.567,588 4.567,589 1.906,590 3.156,591 3.979,592 2.669,593 320.323,594 6.717,595 2686.86,597 1,599 1,600 153.58,601 1.198,602 3.954,603 0.139,605 0.071,606 0.033,607 0.056,608 0.028,609 0.012,610 0.009,613 0.349,614 0.83,615 1,616 0.5,617 62.36,618 0.026,619 -0.201,620 0.035,621 -0.049,622 0.078,623 0.001,624 0.042,625 -0.04,626 0.031,627 -0.005,628 0.122,629 -0.011,630 -0.042,631 -0.056,632 0.063,633 0.06,634 0.04,635 0.063,636 -0.007,637 -0.042,638 -0.109,639 -0.15,640 0.001,641 -0.162,642 -0.045,643 0.181,644 0.079,645 0.175,646 -0.032,647 0.134,648 -0.044,649 -0.07,650 -0.075,651 -0.096,652 -0.136,653 -0.111,654 -0.179,655 -0.232,656 -0.309,657 -0.335,658 -0.36,659 -0.325,660 -0.199,661 -0.097,662 -0.355,663 -0.266,664 -0.345,665 -0.187,666 0.815,667 2.107,668 0.938,669 7.5,670 0.991,671 1.124,672 3.638,673 13.235,674 0.684,675 2.944,676 3.258,677 3.555,678 3.829,679 4.111,680 4.22,681 4.22,682 4.277,683 4.331,684 4.174,685 3.739,686 0.631,687 234.75,688 2.944,689 4.466,690 5.323,691 6.201,692 7.077,693 7.963,694 8.847,695 9.735,696 10.621,697 11.511,698 6.5,701 1,707 1,715 3,720 3,722 6,740 1,741 31,743 7,744 1,745 18,747 33,748 13,749 6,750 3,751 3,752 1,756 3,757 6,758 1,767 4,770 4,772 7,773 6,777 1,785 1,786 1,790 1,793 15,794 2,796 3,797 1,802 2,804 1,808 0.333,829 2,830 1,833 1,834 1,855 1,859 1,865 1,868 16,876 6,881 1,892 1,901 7.667,902 5.543,903 3.5,904 2.15,907 1.681,908 1.258,909 1.01,910 2.7,911 8.203,912 3.135,913 3.676,914 4.216,915 4.739,916 5.271,917 5.483,918 5.731,919 5.996,920 6.22,921 6.041,922 0.75,923 28,924 5.937,926 2.527,927 0.026,929 7.424,931 11.896,933 10.206,936 1.924,937 30.778,938 0.008,941 176.567,942 54.549,943 19.91,944 39.149,948 54.549,949 215.715,950 19.91,952 14.35,953 28.429,954 2.328,955 29.353,957 176.567,958 39.149,959 176.567,960 74.459,962 39.149,964 153.024,965 23.542,968 34.259,969 40.2,970 39.149,972 176.567,973 19.91,974 93.698,977 176.567,978 26.12,979 31.553,981 55.934,982 176.567,983 19.91,984 93.698,986 0.577,987 0.343,988 0.192,989 0.111,990 14,991 5,994 2,995 1.267,996 2.845,997 115.131,998 0.267,999 15,1000 64,1005 10.307,1006 4.191,1007 1.91,1009 19.91,1010 6.007,1015 3.111,1018 290.174,1019 22,1027 4.746,1028 1.257,1031 30.713,1032 34.847,1034 0.292,1035 0.627,1036 0.829,1037 0.922,1038 0.922,1039 0.922,1040 4.376,1042 5.293,1043 1.837,1044 3.932,1045 4.357,1046 1.743,1047 6.103,1048 3.818,1049 5.546,1050 -0.133,1051 6.845,1053 3.434,1054 4.086,1055 1.048,1056 6.986,1057 3.179,1058 6.842,1059 -0.376,1060 8.502,1061 -0.324,1062 5.509,1063 6.463,1064 2.018,1065 10.112,1066 5.283,1067 8.174,1068 -0.852,1069 10.222,1070 -0.876,1071 5.861,1072 7.04,1073 1.886,1074 11.837,1075 5.497,1076 9.541,1077 -1,1078 11.982,1079 -2.403,1080 7.381,1081 8.892,1082 2.535,1083 14.456,1084 7.033,1085 10.934,1086 -1.388,1087 13.769,1088 -2.609,1089 8.149,1090 9.875,1091 2.674,1092 16.52,1093 7.689,1094 12.346,1095 -1.648,1096 15.574,1097 -3.574,1098 9.432,1099 11.496,1100 3.183,1101 18.956,1102 8.963,1103 3.115,1104 -1.794,1105 17.393,1106 -3.968,1107 10.396,1108 12.681,1109 3.452,1110 21.166,1111 9.838,1112 2.64,1113 10.341,1114 19.222,1115 -5.19,1116 11.581,1117 14.194,1118 3.896,1119 23.532,1120 10.994,1121 1.99,1122 8.585,1123 21.058,1124 4.074,1125 12.634,1126 15.482,1127 4.225,1128 25.805,1129 11.974,1130 1.673,1131 5.857,1132 22.9,1133 3.198,1134 13.78,1135 16.94,1136 4.638,1137 28.146,1138 13.079,1139 1.567,1140 4.436,1141 24.746,1142 2.485,1143 14.874,1144 18.282,1145 4.996,1146 30.449,1147 14.108,1148 1.38,1149 3.366,1150 26.597,1151 2.087,1152 16.007,1153 19.714,1154 5.395,1155 32.782,1156 15.194,1157 0.787,1158 3.211,1159 28.45,1160 1.751,1161 17.12,1162 21.085,1163 5.767,1164 35.099,1165 16.247,1166 1850,1167 2875,1168 12.425,1169 21.199,1170 26.699,1171 27.046,1172 27.134,1173 26.468,1174 26.304,1175 32.118,1176 4.754,1177 75.267,1178 24.706,1179 5.384,1180 5.523,1181 6.297,1182 5.134,1183 5.115,1184 7.074,1185 2.496,1186 17.187,1187 4.943,1188 4.42,1189 1.483,1190 1.503,1191 1.507,1192 1.47,1193 1.461,1194 1.784,1195 0.264,1196 4.182,1197 1.373,1198 4.014,1199 4.054,1200 4.058,1201 3.924,1202 4.97,1203 3.926,1204 3.745,1205 3.795,1206 3.699,1207 3.637,1208 4.608,1209 3.625,1210 3.32,1211 3.398,1212 3.354,1213 3.153,1214 4.241,1215 3.153,1216 3.294,1217 3.37,1218 3.154,1219 3.131,1220 3.991,1221 3.116,1222 2.965,1223 3.022,1224 3.084,1225 2.856,1226 3.779,1227 2.835,1228 2.757,1229 2.833,1230 2.629,1231 2.618,1232 3.409,1233 2.601,1234 2.528,1235 2.611,1236 2.531,1237 2.323,1238 3.347,1239 2.304,1240 2.214,1241 2.339,1242 2.048,1243 1.96,1244 3.027,1245 1.93,1246 0.247,1247 0.196,1248 0.363,1249 0.226,1250 0.173,1251 4.439,1252 0.226,1253 3.523,1254 0.082,1255 6.542,1256 0.575,1257 4.062,1258 0.163,1259 3.115,1260 4.074,1261 1.469,1262 10.341,1263 2.943,1264 1.947,1265 1.92,1266 2.026,1267 2.057,1268 1.324,1269 2.054,1270 1.707,1271 1.644,1272 1.967,1273 1.872,1274 1.246,1275 1.908,1276 1.557,1277 1.497,1278 1.754,1279 1.726,1280 0.998,1281 1.741,1282 1.104,1283 1.034,1284 1.413,1285 1.303,1286 0.636,1287 1.346,1288 0.926,1289 0.872,1290 1.195,1291 1.134,1292 0.428,1293 1.154,1294 0.738,1295 0.651,1296 1.043,1297 0.96,1298 0.159,1299 1.01,1300 0.471,1301 0.384,1302 0.892,1303 0.753,1304 0.076,1305 0.806,1306 0.426,1307 0.318,1308 0.724,1309 0.671,1311 0.712,1312 3.611,1314 4.92,1316 6.438,1317 2.708,1318 8.061,1319 5.094,1320 9.742,1323 6.218,1328 7.049,1333 2.39,1340 19.558,1341 44.871,1342 96.296,1343 127.315,1344 141.58,1345 141.58,1346 141.58,1347 16.787,1348 6.522,1349 15.6,1350 15.6,1351 19,1352 12.041,1353 3,1354 2.322,1355 21.663,1356 40,1357 23,1358 0.314,1359 123.503,1360 212.13,1361 293.106,1362 5089,1363 3.2,1364 10.958,1365 0.685,1366 0.625,1367 11.458,1368 10.003,1369 7.843,1370 0.436,1371 0.351,1372 5.93,1373 7.394,1374 5.778,1375 4.75,1376 8.132,1377 6.321,1378 6.962,1379 0.278,1380 0.196,1381 7.332,1382 4.905,1383 6.068,1384 0.178,1385 0.11,1386 6.426,1387 3.74,1388 5.132,1389 0.114,1390 0.06,1391 5.439,1392 2.714,1393 4.378,1394 0.073,1395 0.034,1396 4.611,1397 2.034,1398 0.457,1399 51.219,1400 0.284,1401 15.645,1402 0.964,1403 86,1404 199.494,1405 106.043,1406 227.446,1407 310.36,1408 214,1409 102,1410 212.497,1411 119.039,1412 225.625,1413 334.04,1414 214,1415 5.77}
{0 CHEMBL162734,1 1.253,2 6.5,3 3.319,4 11.014,5 66.641,6 6.304,7 0.333,8 3.604,9 3.742,10 3.061,11 3.177,12 4.466,13 3.115,14 4.205,15 4.413,16 3.384,17 3.592,18 4.992,19 3.492,20 4.535,21 4.797,22 3.485,23 3.772,24 5.245,25 3.64,26 4.584,27 4.867,28 3.298,29 3.73,30 5.255,31 3.559,32 4.451,33 4.759,34 2.972,35 3.546,36 5.047,37 3.335,38 4.143,39 4.445,40 2.643,41 3.285,42 4.736,43 3.058,44 3.862,45 4.161,46 2.248,47 2.995,48 4.45,49 2.74,50 3.531,51 3.873,52 1.532,53 2.499,54 4.025,55 2.181,56 0.04,57 0.498,58 8.228,59 3.332,60 4.778,61 4.87,62 0.125,63 0.852,64 15.271,65 5.686,66 10.004,67 8.486,68 0.151,69 1.102,70 21.197,71 7.553,72 14.532,73 11.526,74 0.183,75 1.118,76 22.334,77 7.649,78 16.322,79 11.811,80 0.142,81 0.921,82 19.247,83 7.14,84 12.972,85 10.752,86 0.079,87 0.661,88 13.873,89 5.763,90 9.421,91 8.391,92 0.046,93 0.487,94 10.327,95 4.535,96 7.214,97 6.51,98 0.037,99 0.32,100 7.33,101 3.103,102 5.412,103 4.513,105 24,106 0.235,107 0.529,108 0.724,109 0.845,110 0.879,111 0.879,112 2.855,113 1.056,114 -4.6,115 -4.52,116 -4.25,121 41.2,123 5,127 2,144 4,145 1,146 1,160 1,176 8,179 1,180 6,187 7,192 6,200 4,206 6,214 4,219 2,227 6,239 8,251 6,264 2,281 184,282 11.276,283 11.276,284 11.276,285 11.276,286 11.276,287 10.341,288 13.472,289 6.964,290 11.431,291 8.942,292 8.942,293 8.942,294 8.942,295 8.942,296 7.517,297 17.805,298 3.362,299 9.22,300 3.834,301 2.274,302 1.235,303 0.588,304 0.412,305 0.412,306 3.544,311 1,312 1,313 230,314 1.414,318 47.127,320 34.165,322 39.867,324 48.131,325 1,326 5.649,328 1,329 1,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.98,337 33,338 104,339 4.349,340 3.467,341 6.359,342 3.995,343 3.042,344 3.92,345 1.469,346 9.833,347 2.907,348 3.802,349 2.777,350 5.875,351 3.481,352 2.52,353 3.082,354 0.739,355 8.119,356 2.412,357 3.096,358 2.281,359 4.742,360 2.803,361 1.848,362 2.199,363 0.169,364 5.248,365 1.762,366 2.889,367 1.75,368 4.051,369 2.714,370 1.72,371 2.046,373 3.521,374 1.707,375 2.725,376 1.588,377 3.798,378 2.41,379 1.414,380 1.731,382 3.502,383 1.407,384 2.624,385 1.463,386 3.618,387 2.401,388 1.414,389 1.635,391 3.005,392 1.394,393 2.036,394 0.934,395 3.193,396 1.736,397 0.765,398 0.918,400 1.788,401 0.741,402 1.359,403 0.458,404 2.783,405 1.261,406 0.28,407 0.292,409 0.623,410 0.274,411 1.143,412 0.262,413 2.527,414 0.975,420 0.749,421 -0.232,422 2.488,423 0.445,424 -0.52,425 -0.613,427 -1.388,428 -0.5,429 0.552,430 -0.525,431 2,432 0.207,433 -0.765,434 -0.916,436 -1.788,437 -0.741,438 0.313,439 -0.922,440 1.741,441 -0.061,442 -1.042,443 -1.356,445 -2.672,446 -1.022,447 -0.236,448 -1.144,449 1.382,450 -0.422,451 -1.414,452 -1.539,454 -3.41,455 -1.351,456 -0.394,457 -1.31,458 1.169,459 -0.454,460 -1.414,461 -1.662,463 -3.502,464 -1.402,465 -0.5,466 -1.531,467 1.111,468 -0.894,469 -1.848,470 -2,472 -5.143,473 -1.756,474 7.8,475 0.488,476 0.239,477 0.015,478 18.25,479 1.141,480 8,481 0.5,482 10.25,483 0.641,484 13.103,485 0.819,486 17.4,487 0.512,488 8.945,489 0.559,490 3.094,491 0.193,492 4.839,493 0.302,496 0.244,501 0.897,502 1.386,503 0.934,504 1.154,505 0.731,506 1.065,507 1.153,508 1.189,509 1.043,510 1.088,511 0.826,512 1.063,513 1.251,514 1.091,515 0.956,516 0.957,517 0.995,518 0.939,519 1.568,520 1.02,521 1.135,522 0.989,523 1.35,524 1.024,525 1.161,526 0.854,527 1.032,528 0.921,529 1.091,530 0.959,531 0.641,532 0.856,533 0.987,534 0.999,535 0.987,536 1.014,537 0.324,538 1.005,539 1.036,540 1.173,541 0.938,542 1.158,543 0.289,544 0.897,545 0.925,546 1.047,547 0.857,548 1.034,549 2,551 1.333,552 0.625,553 0.827,554 0.306,555 0.08,556 0.049,559 1996,560 3384,561 2.213,562 52.9,563 6,564 8,568 2,569 2,572 1.554,573 2.182,574 2.766,575 -0.856,577 1,578 1,579 1,582 42.612,583 1.253,584 2.814,585 3.852,586 4.499,587 4.676,588 4.676,589 2,590 2.75,591 3.979,592 2.759,593 331.047,594 6.708,595 2763.67,597 1,599 1,600 172.974,601 0.811,602 3.975,603 0.111,605 0.056,606 0.024,607 0.041,608 0.022,609 0.008,610 0.008,613 0.27,614 0.83,615 1,617 62.828,618 0.109,619 -0.187,620 0.087,621 -0.046,622 0.196,623 0.007,624 0.113,625 -0.068,626 -0.027,627 -0.076,628 0.142,629 -0.064,630 -0.013,631 -0.064,632 0.043,633 0.005,634 0.076,635 0.024,636 -0.206,637 -0.01,638 -0.138,639 -0.063,640 -0.152,641 -0.09,642 -0.145,643 0.077,644 -0.068,645 0.016,646 -0.111,647 -0.014,648 -0.054,649 0.034,650 -0.056,651 -0.014,652 -0.136,653 -0.031,654 0.017,655 -0.147,656 -0.127,657 -0.167,658 -0.171,659 -0.159,660 0.082,661 -0.115,662 -0.026,663 -0.091,664 -0.095,665 -0.071,666 0.477,667 1.812,668 1,669 8,670 0.979,671 1.127,672 3.37,673 11.357,674 0.65,675 2.944,676 3.219,677 3.497,678 3.761,679 4.043,680 4.111,681 4.22,682 4.205,683 4.234,684 4.078,685 3.873,686 0.596,687 214.34,688 2.944,689 4.443,690 5.283,691 6.142,692 7.004,693 7.873,694 8.743,695 9.616,696 10.49,697 11.365,698 5.9,701 1,707 1,715 4,720 2,722 6,741 34,743 7,744 1,745 18,747 36,748 14,749 6,750 2,751 4,752 1,756 3,757 6,767 5,770 5,772 7,773 7,777 1,785 1,786 1,790 1,793 18,794 2,796 2,802 2,804 1,808 0.333,829 2,831 1,833 1,835 1,855 1,859 1,868 16,876 7,881 1,901 7.333,902 5.983,903 3.556,904 2.413,907 1.667,908 1.256,909 1.005,910 2.751,911 8.188,912 3.135,913 3.624,914 4.139,915 4.653,916 5.182,917 5.329,918 5.631,919 5.891,920 6.092,921 5.844,922 0.6,923 26,924 5.958,926 2.5,927 0.026,929 7.281,931 12.152,933 10.391,936 1.781,937 28.5,938 0.011,941 211.88,942 63.059,943 19.91,948 63.059,949 211.88,950 19.91,952 16.884,953 37.905,954 2.328,955 25.852,957 211.88,959 211.88,960 82.969,964 188.338,965 23.542,968 36.794,969 46.175,972 211.88,973 19.91,974 63.059,977 211.88,978 25.154,979 41.029,981 16.786,982 211.88,983 19.91,984 63.059,986 0.564,987 0.329,988 0.187,989 0.111,990 13,991 4,994 2,995 1.25,996 2.909,997 112.674,998 0.25,999 16,1000 64,1005 10.04,1006 4.384,1007 2.059,1009 19.91,1010 8.539,1015 2.571,1018 294.849,1019 22,1027 4.812,1028 1.318,1031 33.272,1032 38.318,1034 0.246,1035 0.553,1036 0.757,1037 0.884,1038 0.919,1039 0.919,1040 4.35,1041 0.28,1042 5.22,1043 1.788,1044 3.892,1045 4.304,1046 1.743,1047 5.984,1048 3.826,1049 5.486,1051 6.735,1052 0.623,1053 3.219,1054 3.829,1055 1.048,1056 6.763,1057 3.074,1058 6.753,1059 -0.52,1060 8.356,1062 5.416,1063 6.339,1064 2.018,1065 9.894,1066 5.266,1067 8.056,1068 -0.765,1069 10.045,1070 -1.388,1071 5.638,1072 6.751,1073 1.886,1074 11.549,1075 5.397,1076 9.398,1077 -1.042,1078 11.778,1079 -1.788,1080 7.231,1081 8.693,1082 2.535,1083 14.143,1084 6.984,1085 10.767,1086 -1.414,1087 13.54,1088 -2.672,1089 7.907,1090 9.544,1091 2.674,1092 16.146,1093 7.578,1094 12.158,1095 -1.414,1096 15.322,1097 -3.41,1098 9.225,1099 11.217,1100 3.183,1101 18.546,1102 8.879,1103 3.042,1104 -1.848,1105 17.117,1106 -3.502,1107 10.127,1108 12.297,1109 3.452,1110 20.698,1111 9.71,1112 2.52,1113 9.833,1114 18.922,1115 -5.143,1116 11.321,1117 13.831,1118 3.896,1119 23.023,1120 10.878,1121 1.848,1122 8.119,1123 20.735,1124 3.92,1125 12.332,1126 15.035,1127 4.225,1128 25.241,1129 11.827,1130 1.72,1131 5.248,1132 22.552,1133 3.082,1134 13.473,1135 16.494,1136 4.638,1137 27.537,1138 12.934,1139 1.414,1140 3.521,1141 24.373,1142 2.199,1143 14.535,1144 17.768,1145 4.996,1146 29.786,1147 13.941,1148 1.414,1149 3.502,1150 26.198,1151 2.046,1152 15.655,1153 19.186,1154 5.395,1155 32.072,1156 15.021,1157 0.765,1158 3.005,1159 28.025,1160 1.731,1161 16.741,1162 20.498,1163 5.767,1164 34.337,1165 16.057,1166 1914,1167 2569,1168 12.712,1169 22.103,1170 26.205,1171 26.098,1172 26.17,1173 26.051,1174 26.008,1175 31.646,1176 4.754,1177 71.278,1178 25.209,1179 5.349,1180 5.467,1181 6.185,1182 5.067,1183 5.042,1184 6.92,1185 2.496,1186 16.556,1187 4.907,1189 1.456,1190 1.45,1191 1.454,1192 1.447,1193 1.445,1194 1.758,1195 0.264,1196 3.96,1197 1.4,1198 4.009,1199 4.053,1200 3.949,1201 3.911,1202 4.867,1203 3.914,1204 3.756,1205 3.811,1206 3.625,1207 3.649,1208 4.414,1209 3.634,1210 3.402,1211 3.483,1212 3.267,1213 3.257,1214 4.074,1215 3.242,1216 3.392,1217 3.461,1218 3.218,1219 3.216,1220 3.88,1221 3.215,1222 2.993,1223 3.069,1224 2.835,1225 2.855,1226 3.677,1227 2.841,1228 2.838,1229 2.918,1230 2.673,1231 2.696,1232 3.432,1233 2.681,1234 2.574,1235 2.681,1236 2.353,1237 2.348,1238 3.295,1239 2.335,1240 2.354,1241 2.47,1242 2.103,1243 2.144,1244 2.863,1245 2.118,1246 0.242,1247 0.193,1248 0.353,1249 0.222,1250 0.169,1251 4.349,1252 0.218,1253 3.467,1254 0.082,1255 6.359,1256 0.546,1257 3.995,1258 0.161,1259 3.042,1260 3.92,1261 1.469,1262 9.833,1263 2.907,1264 1.965,1265 1.929,1266 2.093,1267 2.093,1268 1.409,1269 2.095,1270 1.772,1271 1.718,1272 1.981,1273 1.906,1274 1.178,1275 1.935,1276 1.425,1277 1.351,1278 1.72,1279 1.621,1280 1.047,1281 1.659,1282 1.368,1283 1.299,1284 1.594,1285 1.569,1286 0.809,1287 1.584,1288 1.012,1289 0.942,1290 1.328,1291 1.21,1292 0.565,1293 1.253,1294 0.854,1295 0.784,1296 1.137,1297 1.057,1298 0.239,1299 1.089,1300 0.585,1301 0.48,1302 1.009,1303 0.866,1304 0.183,1305 0.919,1306 0.396,1307 0.286,1308 0.824,1309 0.695,1311 0.751,1312 3.611,1314 4.89,1316 6.378,1318 7.978,1320 9.639,1328 8.787,1333 2.474,1340 20.257,1341 42.612,1342 95.671,1343 130.974,1344 152.974,1345 158.974,1346 158.974,1347 15.345,1348 6.521,1349 15.6,1350 15.6,1351 20,1352 11.905,1353 3,1354 2.322,1355 21.7,1356 40,1357 24,1358 0.3,1359 124.762,1360 214.22,1361 296.179,1362 5300,1364 10.795,1365 0.675,1366 0.603,1367 10.795,1368 9.654,1369 7.933,1370 0.441,1371 0.352,1372 6.294,1373 7.775,1374 6.166,1375 5.11,1376 7.933,1377 6.338,1378 6.788,1379 0.283,1380 0.198,1381 6.788,1382 4.743,1383 5.844,1384 0.183,1385 0.111,1386 5.844,1387 3.546,1388 4.941,1389 0.118,1390 0.062,1391 4.941,1392 2.622,1393 4.298,1394 0.077,1395 0.035,1396 4.298,1397 1.984,1398 0.442,1399 48.579,1400 0.28,1401 15.806,1402 0.903,1403 84,1404 169.29,1405 88.524,1406 169.652,1407 244.17,1408 162,1409 98,1410 188.634,1411 103.329,1412 192.409,1413 283.14,1414 183,1415 5.036}
{0 CHEMBL1629724,1 1.777,2 12.414,3 4.125,4 17.015,5 98.773,6 9.485,7 0.581,8 3.858,9 3.941,10 3.598,11 3.454,12 5.21,13 3.481,14 4.35,15 4.453,16 4.037,17 3.791,18 6.167,19 3.821,20 4.56,21 4.703,22 4.056,23 3.873,24 6.132,25 3.894,26 4.614,27 4.78,28 3.982,29 3.748,30 6.21,31 3.797,32 4.485,33 4.639,34 3.843,35 3.65,36 6.05,37 3.699,38 4.314,39 4.444,40 3.759,41 3.647,42 5.779,43 3.658,44 4.394,45 4.547,46 3.816,47 3.65,48 6.206,49 3.634,50 4.311,51 4.508,52 3.566,53 3.55,54 5.721,55 3.514,56 0.227,57 0.777,58 4.134,59 3.686,60 45.967,61 3.379,62 0.869,63 1.586,64 8.757,65 6.029,66 155.008,67 5.498,68 0.707,69 1.369,70 13.582,71 7.497,72 118.59,73 7.684,74 1.018,75 1.441,76 18.425,77 7.896,78 173.132,79 7.133,80 1.001,81 1.176,82 16.875,83 6.769,84 187.62,85 5.511,86 0.596,87 0.982,88 10.707,89 5.787,90 110.874,91 5.345,92 1.004,93 1.115,94 13.241,95 6.317,96 177.672,97 6.766,98 0.643,99 1.015,100 14.153,101 6.355,102 119.053,103 7.265,104 38,105 44,106 0.306,107 0.541,108 0.709,109 0.857,110 0.876,111 0.876,112 3.407,113 0.807,114 -3.94,115 -3.9,116 -3.7,121 50,134 1,144 11,145 3,146 1,147 1,148 1,159 2,160 1,176 12,180 4,183 1,185 3,187 11,191 2,192 7,197 4,200 5,205 1,206 10,211 3,214 3,219 9,222 1,224 1,227 9,232 4,235 1,239 13,243 1,244 2,247 1,249 1,251 12,255 1,256 3,261 1,264 6,268 1,269 6,274 1,277 3,281 1400,282 18.886,283 18.886,284 18.886,285 18.886,286 18.886,287 16.513,288 13.722,289 10.99,290 19.184,291 15.254,292 15.254,293 15.254,294 15.254,295 15.254,296 11.567,297 15.435,298 5.19,299 15.767,300 3.616,301 2.252,302 1.275,303 0.417,304 0.304,305 0.304,306 4.083,311 1,312 1,313 755,314 4.301,318 323.679,325 2.014,326 61.056,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 66.5,338 360,339 4.449,340 4.46,341 7.111,342 4.175,343 3.315,344 3.956,345 3.825,346 11.658,347 3.127,348 4.399,349 3.837,350 6.532,351 4.077,352 3.052,353 3.885,354 1.058,355 10.063,356 2.928,357 4.132,358 3.571,359 6.053,360 3.804,361 2.814,362 3.612,364 8.706,365 2.727,366 3.975,367 2.994,368 5.753,369 3.561,370 2.569,371 3.403,373 7.825,374 2.54,375 3.61,376 2.554,377 5.255,378 3.197,379 2.214,380 2.992,382 6.536,383 2.168,384 3.233,385 2.296,386 4.673,387 2.781,388 1.812,389 2.453,391 4.973,392 1.741,393 3.106,394 2.16,395 4.504,396 2.655,397 1.67,398 2.282,400 4.286,401 1.608,402 2.787,403 1.803,404 4.016,405 2.316,406 1.322,407 1.886,409 3.214,410 1.305,411 2.609,412 1.697,413 3.647,414 2.11,415 1.105,416 1.604,418 2.818,419 1.097,420 2.578,421 1.323,422 3.474,423 2.074,424 1.068,425 1.555,427 2.492,428 1.065,429 2.5,430 1.182,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.5,439 1,440 3.247,441 1.958,442 1,443 1.5,445 2.136,446 0.955,447 2.207,448 1,449 3.092,450 1.536,451 0.427,452 0.714,454 0.989,455 0.468,456 1.182,457 0.51,458 2.85,459 0.81,460 -0.175,461 -0.22,463 -0.454,464 -0.17,465 0.919,466 0.51,467 2.563,468 0.485,469 -0.528,470 -0.721,472 -1.24,473 -0.528,474 13.157,475 0.454,476 0.919,477 0.032,478 41,479 1.414,480 23,481 0.793,482 18,483 0.621,484 18.677,485 0.644,486 30.643,487 0.73,488 35.875,489 1.237,490 8.645,491 0.298,492 5.108,493 0.176,494 0.141,495 0.038,496 0.304,498 3,501 0.555,502 0.859,503 0.566,504 0.91,505 0.59,506 0.81,507 0.453,508 0.775,509 0.67,510 1.021,511 0.48,512 1,513 0.661,514 0.913,515 0.798,516 1.112,517 0.627,518 1.069,519 1.228,520 1.008,521 1.121,522 1.022,523 1.2,524 1.002,525 1.36,526 0.78,527 1.216,528 0.772,529 1.428,530 0.843,531 0.815,532 0.727,533 0.977,534 0.985,535 0.915,536 1.052,537 0.416,538 0.578,539 0.892,540 0.944,541 0.515,542 1.124,543 0.653,544 0.804,545 0.951,546 1.018,547 0.622,548 1.102,549 7,550 0.19,551 4,552 2.313,553 1.516,554 1.042,555 0.571,556 0.378,557 0.345,558 0.251,559 11009,560 45585,561 1.985,562 31,564 11,566 1,567 1,572 1.716,573 1.822,574 3.601,575 -0.302,577 1,582 74.623,583 1.777,584 3.14,585 4.117,586 4.975,587 5.089,588 5.089,589 3.099,590 4.349,591 4.83,592 3.788,593 1537.74,594 8.394,595 21454.9,597 1,599 1,600 226.477,601 1.658,602 4.76,603 0.226,604 0.008,605 0.091,606 0.051,607 0.038,608 0.029,609 0.017,610 0.011,611 0.013,612 0.01,613 0.494,614 0.33,615 1,616 0.805,617 149.424,618 -0.027,619 -0.019,620 0.004,621 0.019,622 -0.081,623 0.029,624 0.343,625 0.237,626 0.046,627 -0.072,628 0.286,629 -0.15,630 0.031,631 -0.157,632 0.054,633 -0.179,634 0.076,635 -0.102,636 -0.212,637 -0.086,638 -0.099,639 -0.06,640 -0.16,641 -0.022,642 -0.306,643 0.081,644 -0.21,645 0.182,646 -0.308,647 0.109,648 -0.107,649 -0.057,650 -0.148,651 -0.059,652 -0.152,653 -0.107,654 0.388,655 0.206,656 0.04,657 0.006,658 0.304,659 -0.132,660 0.045,661 -0.034,662 0.067,663 -0.035,664 0.06,665 0.011,666 5.746,667 5.376,668 0.621,669 29.722,670 1.045,671 1.132,672 2.714,673 7.363,674 0.703,675 3.466,676 3.807,677 4.007,678 4.159,679 4.331,680 4.357,681 4.454,682 4.344,683 4.443,684 4.466,685 7.359,686 0.715,687 398.36,688 3.466,689 5.017,690 5.849,691 6.72,692 7.567,693 8.438,694 9.289,695 10.16,696 11.014,697 11.884,698 4.8,705 1,708 1,715 12,716 1,720 5,722 18,727 2,729 1,741 42,743 21,744 2,745 31,747 44,748 21,749 17,750 4,751 8,752 3,756 3,757 3,763 1,769 1,772 20,773 1,777 3,782 3,786 3,790 1,791 3,793 13,794 8,795 1,796 8,802 2,808 1,809 3,822 1,829 3,859 3,866 3,868 29,877 1,882 1,892 3,893 7.1,896 3,901 15.917,902 7.629,903 6.278,904 2.314,907 3.111,908 1.432,909 0.985,910 5.678,911 10.317,912 3.784,913 4.363,914 4.907,915 5.378,916 5.872,917 5.981,918 6.309,919 6.309,920 6.62,921 6.946,922 1,923 45,924 11.242,926 5.398,927 0.026,929 8.572,931 18.981,933 15.185,936 3.072,937 89.083,940 1,941 141.253,942 151.087,943 34.796,945 75.435,946 44.88,948 151.087,949 216.688,950 79.677,952 18.011,953 104.239,954 118.963,955 68.998,957 129.482,958 7.76,959 141.253,960 185.884,961 120.315,964 141.253,965 120.315,968 37.574,969 131.524,970 16.786,972 186.134,973 110.231,974 151.087,977 149.013,978 30.042,979 113.286,980 18.011,981 137.101,982 141.253,983 155.111,984 151.087,986 0.593,987 0.337,988 0.162,989 0.083,990 20,991 10,992 0.114,993 5,995 1,996 3.999,997 243.072,999 18,1000 132.127,1005 20.132,1006 8.179,1007 4.815,1009 155.111,1010 15.397,1011 3.84,1015 -0.592,1017 18.011,1018 447.452,1019 43,1024 36.855,1028 -2.245,1031 43.909,1032 47.55,1034 0.329,1035 0.582,1036 0.763,1037 0.923,1038 0.944,1039 0.944,1040 5.021,1041 1.322,1042 5.878,1043 4.286,1044 4.489,1045 5.05,1046 3.139,1047 6.708,1048 4.435,1049 6.251,1050 1.105,1051 7.468,1052 3.214,1053 4.29,1054 4.856,1055 3.903,1056 7.856,1057 4.12,1058 7.569,1059 1.068,1060 9.171,1061 2.818,1062 6.159,1063 7.206,1064 5.431,1065 10.846,1066 6.029,1067 8.922,1068 1,1069 10.941,1070 2.492,1071 6.746,1072 7.758,1073 6.69,1074 12.776,1075 6.502,1076 10.304,1077 1,1078 12.753,1079 2.275,1080 8.155,1081 9.62,1082 8.059,1083 15.364,1084 7.92,1085 11.707,1086 0.427,1087 14.593,1088 2.136,1089 9.067,1090 10.52,1091 9.388,1092 17.587,1093 8.737,1094 13.126,1095 -0.175,1096 16.455,1097 0.989,1098 10.312,1099 12.157,1100 10.734,1101 20.057,1102 9.962,1103 3.315,1104 -0.528,1105 18.331,1106 -0.454,1107 11.365,1108 13.242,1109 12.074,1110 22.4,1111 10.934,1112 3.052,1113 11.658,1114 20.22,1115 -1.24,1116 12.552,1117 14.76,1118 13.416,1119 24.839,1120 12.083,1121 2.814,1122 10.063,1123 22.118,1124 3.956,1125 13.668,1126 15.952,1127 14.758,1128 27.234,1129 13.126,1130 2.569,1131 8.706,1132 24.025,1133 3.885,1134 14.838,1135 17.403,1136 16.1,1137 29.668,1138 14.247,1139 2.214,1140 7.825,1141 25.937,1142 3.612,1143 15.983,1144 18.659,1145 17.441,1146 32.088,1147 15.326,1148 1.812,1149 6.536,1150 27.856,1151 3.403,1152 17.151,1153 20.071,1154 18.783,1155 34.524,1156 16.439,1157 1.67,1158 4.973,1159 29.779,1160 2.992,1161 18.311,1162 21.366,1163 20.124,1164 36.957,1165 17.535,1166 10794,1167 22153,1168 19.879,1169 29.517,1170 48.108,1171 49.094,1172 47.761,1173 47.077,1174 46.735,1175 62.684,1176 9.767,1177 135.941,1178 45.457,1179 5.301,1180 6.46,1181 6.913,1182 5.213,1183 5.315,1184 6.956,1185 5.335,1186 18.815,1187 5.127,1188 17.333,1189 1.552,1190 1.584,1191 1.541,1192 1.519,1193 1.508,1194 2.022,1195 0.315,1196 4.385,1197 1.466,1198 4.007,1199 4.029,1200 3.967,1201 3.92,1202 8.513,1203 3.926,1204 3.921,1205 3.942,1206 3.883,1207 3.844,1208 7.999,1209 3.847,1210 3.837,1211 3.873,1212 3.78,1213 3.743,1214 7.999,1215 3.747,1216 3.471,1217 3.491,1218 3.469,1219 3.254,1220 7.497,1221 3.294,1222 3.368,1223 3.375,1224 3.342,1225 3.157,1226 7.429,1227 3.198,1228 3.12,1229 3.172,1230 3.082,1231 2.825,1232 7.352,1233 2.866,1234 2.872,1235 2.925,1236 2.784,1237 2.748,1238 4.861,1239 2.743,1240 2.854,1241 2.913,1242 2.687,1243 2.735,1244 4.728,1245 2.715,1246 0.144,1247 0.144,1248 0.229,1249 0.135,1250 0.107,1251 4.449,1252 0.128,1253 4.46,1254 0.123,1255 7.111,1256 0.376,1257 4.175,1258 0.101,1259 3.315,1260 3.956,1261 3.825,1262 11.658,1263 3.127,1264 1.946,1265 1.925,1266 2.033,1267 2.05,1268 1.125,1269 2.044,1270 1.897,1271 1.877,1272 1.989,1273 1.996,1274 1.084,1275 1.991,1276 1.816,1277 1.782,1278 1.931,1279 1.931,1280 0.945,1281 1.934,1282 1.328,1283 1.32,1284 1.401,1285 1.579,1286 0.406,1287 1.513,1288 1.23,1289 1.216,1290 1.325,1291 1.47,1292 0.339,1293 1.414,1294 0.946,1295 0.893,1296 1.181,1297 1.284,1298 0.218,1299 1.214,1300 0.886,1301 0.821,1302 1.127,1303 1.062,1304 0.195,1305 1.107,1306 0.865,1307 0.82,1308 1.103,1309 1.036,1310 0.172,1311 1.064,1312 4.143,1314 5.476,1316 6.999,1318 8.594,1320 10.225,1324 37.833,1329 2.491,1334 -4.496,1340 30.025,1341 74.623,1342 131.894,1343 172.914,1344 208.968,1345 213.722,1346 213.722,1347 90.558,1348 7.206,1349 76.13,1350 76.13,1351 18,1352 12.43,1353 4.459,1354 3.7,1355 52.689,1356 128,1357 114,1358 0.199,1359 184.073,1360 336.98,1361 440.897,1362 13363,1363 7.1,1364 21.018,1365 0.725,1366 0.508,1367 18.518,1368 14.734,1369 13.753,1370 0.444,1371 0.269,1372 8.192,1373 13.131,1374 8.092,1375 6.669,1376 12.542,1377 8.343,1378 13.1,1379 0.298,1380 0.136,1381 11.142,1382 5.983,1383 10.296,1384 0.191,1385 0.073,1386 9.36,1387 3.961,1388 7.815,1389 0.124,1390 0.04,1391 7.116,1392 2.497,1393 5.876,1394 0.078,1395 0.021,1396 5.59,1397 1.598,1398 0.318,1399 87.363,1400 0.224,1401 27.902,1402 0.527,1403 150,1404 703.518,1405 177.213,1406 596.462,1407 763.05,1408 548,1409 173,1410 517.627,1411 194.117,1412 505.802,1413 755.16,1414 474,1415 4}
{0 CHEMBL1630808,1 1.741,2 11.519,3 4.511,4 20.353,5 102.408,6 10.237,7 0.621,8 3.775,9 3.849,10 3.6,11 3.458,12 5.084,13 3.449,14 4.219,15 4.308,16 3.99,17 3.812,18 5.582,19 3.791,20 4.49,21 4.619,22 4.116,23 3.907,24 5.981,25 3.874,26 4.461,27 4.593,28 4.164,29 3.771,30 6.028,31 3.761,32 4.348,33 4.473,34 3.837,35 3.652,36 5.861,37 3.659,38 4.273,39 4.391,40 3.887,41 3.673,42 5.772,43 3.654,44 4.275,45 4.416,46 3.736,47 3.692,48 5.675,49 3.617,50 4.212,51 4.39,52 3.692,53 3.584,54 5.575,55 3.502,56 0.111,57 0.469,58 2.943,59 2.778,60 13.92,61 2.89,62 0.223,63 0.731,64 5.396,65 4.581,66 27.514,67 4.831,68 0.52,69 0.944,70 16.01,71 6.882,72 78.71,73 7.157,74 0.64,75 0.894,76 21.073,77 6.916,78 80.64,79 6.675,80 0.576,81 0.805,82 14.388,83 5.949,84 92.614,85 5.058,86 0.507,87 0.745,88 10.582,89 5.352,90 74.94,91 4.944,92 0.453,93 0.748,94 13.956,95 5.924,96 77.099,97 6.355,98 0.369,99 0.725,100 13.272,101 5.798,102 59.827,103 6.889,104 26,105 40,106 0.304,107 0.547,108 0.738,109 0.905,110 0.923,111 0.923,112 3.34,113 0.887,114 -3.84,115 -3.8,116 -3.6,121 51.3,144 10,145 2,146 3,147 1,148 1,159 2,160 1,176 8,180 4,183 1,185 3,187 12,191 2,192 6,197 3,200 5,205 1,206 11,211 4,214 6,219 8,222 1,227 7,232 5,235 1,237 1,239 13,243 1,244 2,247 1,249 1,251 11,255 1,256 2,261 1,264 7,268 1,269 6,274 1,277 4,281 1101,282 17.913,283 17.913,284 17.913,285 17.913,286 17.913,287 15.398,288 12.47,289 10.563,290 18.208,291 14.263,292 14.263,293 14.263,294 14.263,295 14.263,296 10.424,297 13.683,298 4.999,299 14.787,300 3.544,301 2.155,302 1.057,303 0.103,306 4.017,308 2,311 1,312 1,313 657,314 3.606,318 292.33,325 1.759,326 41.411,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 58.667,338 311,339 4.405,340 3.837,341 6.533,342 4.079,343 3.057,344 4.001,345 1.058,346 10.065,347 3.127,348 4.348,349 3.627,350 6.408,351 3.957,352 2.987,353 3.94,355 9.729,356 2.879,357 4.02,358 3.063,359 5.766,360 3.598,361 2.62,362 3.602,364 7.907,365 2.564,366 3.712,367 2.99,368 5.356,369 3.291,370 2.341,371 3.085,373 6.807,374 2.209,375 3.549,376 2.657,377 5.08,378 3.089,379 2.143,380 2.916,382 6.065,383 1.963,384 3.192,385 2.525,386 4.619,387 2.723,388 1.761,389 2.425,391 4.587,392 1.694,393 3.055,394 2.16,395 4.458,396 2.553,397 1.626,398 2.215,400 4.158,401 1.394,402 2.782,403 1.801,404 3.849,405 2.3,406 1.308,407 1.883,409 3.031,410 1.271,411 2.641,412 1.574,413 3.645,414 2.126,415 1.126,416 1.648,418 2.79,419 1.104,420 2.585,421 1.323,422 3.474,423 2.08,424 1.073,425 1.593,427 2.493,428 1.074,429 2.5,430 1.182,431 3.247,432 1.958,433 1,434 1.5,436 2.136,437 0.955,438 2.207,439 1,440 3.093,441 1.536,442 0.428,443 0.714,445 0.989,446 0.468,447 1.27,448 0.597,449 2.804,450 0.884,456 1.173,457 0.369,458 2.359,459 0.674,460 -0.3,461 -0.415,463 -0.713,464 -0.274,465 0.796,466 0.256,467 2.239,468 0.269,469 -0.515,470 -0.621,472 -1.242,473 -0.293,474 13.229,475 0.49,476 0.72,477 0.027,478 39.75,479 1.472,480 23,481 0.852,482 16.75,483 0.62,484 17.899,485 0.663,486 26.971,487 0.692,488 31.116,489 1.152,490 8.127,491 0.301,492 4.825,493 0.179,494 0.184,496 0.34,501 0.578,502 1.02,503 0.497,504 0.742,505 0.551,506 0.719,507 0.641,508 1.196,509 0.628,510 0.932,511 0.638,512 0.928,513 0.938,514 1.103,515 0.979,516 1.024,517 0.847,518 1.002,519 1.162,520 1.085,521 0.854,522 1.053,523 1.254,524 0.967,525 1.629,526 0.901,527 0.91,528 0.834,529 1.86,530 0.866,531 1.106,532 0.933,533 0.751,534 0.887,535 1.331,536 0.942,537 0.875,538 0.957,539 1.08,540 1.07,541 0.874,542 1.172,543 0.628,544 1.048,545 0.823,546 0.988,547 0.52,548 1.048,549 5.5,550 0.157,551 3.333,552 2.375,553 1.507,554 0.91,555 0.407,556 0.37,557 0.291,558 0.211,559 8831,560 34121,561 2.014,562 30.8,564 10,566 1,567 1,572 1.7,573 1.862,574 3.498,575 -0.309,582 67.918,583 1.741,584 3.131,585 4.228,586 5.183,587 5.285,588 5.285,589 2.936,590 4.533,591 4.728,592 3.634,593 1275.39,594 8.201,595 16581.4,597 1,600 206.131,601 1.487,602 4.672,603 0.19,604 0.008,605 0.083,606 0.057,607 0.04,608 0.027,609 0.012,610 0.013,611 0.011,612 0.01,613 0.45,614 0.33,615 1,616 0.627,617 134.749,618 -0.039,619 -0.017,620 -0.002,621 0.02,622 -0.062,623 0.027,624 0.015,625 -0.196,626 -0.011,627 -0.121,628 -0.02,629 -0.13,631 -0.099,632 -0.067,633 -0.088,634 0.074,635 -0.072,636 0.023,637 -0.085,638 0.137,639 -0.072,640 0.004,641 -0.014,642 -0.331,643 0.108,644 -0.146,645 0.112,646 -0.33,647 0.036,648 -0.045,649 0.062,650 -0.011,651 0.029,652 -0.14,653 -0.048,654 -0.012,655 -0.008,656 -0.176,657 -0.102,658 -0.009,659 -0.179,660 0.129,661 -0.077,662 0.102,663 0.017,664 0.188,665 0.042,666 2.389,667 5.407,668 0.667,669 24.272,670 1.029,671 1.103,672 2.606,673 6.79,674 0.76,675 3.401,676 3.714,677 3.951,678 4.143,679 4.29,680 4.263,681 4.263,682 4.331,683 4.357,684 4.407,685 6.675,686 0.744,687 399.24,688 3.401,689 4.934,690 5.771,691 6.635,692 7.484,693 8.35,694 9.203,695 10.071,696 10.925,697 11.794,698 5.1,705 1,708 1,715 11,716 1,720 6,722 18,727 2,729 1,740 2,741 39,743 21,744 2,745 29,747 41,748 20,749 17,750 5,751 7,752 3,756 3,757 3,758 2,772 20,777 3,782 3,786 3,790 1,793 12,794 5,795 1,796 7,797 2,802 2,808 1,809 3,822 1,829 3,859 3,865 2,868 27,877 1,892 2,893 7.7,896 3,901 14.5,902 7.152,903 5.972,904 2.167,907 3.119,908 1.443,909 0.986,910 5.773,911 10.161,912 3.738,913 4.324,914 4.885,915 5.378,916 5.847,917 5.914,918 6.126,919 6.338,920 6.583,921 6.919,922 0.875,923 42,924 9.995,926 4.356,927 0.026,929 8.156,931 18.08,933 14.407,936 2.656,937 71.722,941 129.482,942 137.667,943 34.796,944 78.297,945 75.435,948 137.667,949 283.214,950 34.796,952 18.011,953 94.762,954 118.963,955 27.933,957 117.711,958 78.297,959 129.482,960 172.464,961 75.435,962 78.297,964 129.482,965 75.435,968 29.815,969 125.863,970 95.083,972 129.482,973 110.231,974 215.965,977 129.482,978 33.857,979 103.81,980 18.011,981 170.518,982 129.482,983 110.231,984 215.965,986 0.583,987 0.343,988 0.178,989 0.09,990 18,991 9,992 0.122,993 5,995 1,996 3.839,997 221.947,999 18,1000 128.382,1005 18.932,1006 8.233,1007 4.469,1009 110.231,1010 16.776,1011 3.887,1015 1.415,1017 18.011,1018 455.678,1019 41,1024 37.036,1028 -1.897,1031 40.135,1032 43.004,1034 0.329,1035 0.592,1036 0.8,1037 0.981,1038 1,1039 1,1040 4.952,1041 1.308,1042 5.759,1043 4.158,1044 4.394,1045 5.011,1046 1.176,1047 6.55,1048 4.336,1049 6.169,1050 1.126,1051 7.315,1052 3.031,1053 4.007,1054 4.771,1056 7.416,1057 3.902,1058 7.472,1059 1.073,1060 8.972,1061 2.79,1062 5.974,1063 7.177,1064 1.255,1065 10.507,1066 5.891,1067 8.809,1068 1,1069 10.687,1070 2.493,1071 6.382,1072 7.71,1074 12.174,1075 6.292,1076 10.175,1077 0.428,1078 12.439,1079 2.136,1080 7.836,1081 9.599,1082 1.338,1083 14.785,1084 7.753,1085 11.562,1087 14.216,1088 0.989,1089 8.608,1090 10.503,1092 16.787,1093 8.537,1094 12.965,1095 -0.3,1096 16.012,1098 9.853,1099 12.156,1100 1.422,1101 19.217,1102 9.786,1103 3.057,1104 -0.515,1105 17.821,1106 -0.713,1107 10.798,1108 13.258,1110 21.371,1111 10.747,1112 2.987,1113 10.065,1114 19.641,1115 -1.242,1116 11.955,1117 14.788,1118 1.51,1119 23.726,1120 11.911,1121 2.62,1122 9.729,1123 21.47,1124 4.001,1125 12.982,1126 16.002,1128 25.952,1129 12.955,1130 2.341,1131 7.907,1132 23.305,1133 3.94,1134 14.103,1135 17.464,1136 1.599,1137 28.274,1138 14.087,1139 2.143,1140 6.807,1141 25.145,1142 3.602,1143 15.169,1144 18.744,1146 30.534,1147 15.17,1148 1.761,1149 6.065,1150 26.99,1151 3.085,1152 16.278,1153 20.167,1154 1.69,1155 32.842,1156 16.292,1157 1.626,1158 4.587,1159 28.838,1160 2.916,1161 17.363,1162 21.485,1164 35.12,1165 17.395,1166 8619,1167 17086,1168 18.898,1169 29.659,1170 44.06,1171 46.703,1172 44.939,1173 43.409,1174 42.94,1175 59.043,1176 2.117,1177 121.514,1178 41.404,1179 5.258,1180 5.837,1181 6.335,1182 5.117,1183 5.057,1184 7.001,1185 2.117,1186 17.224,1187 5.127,1188 14.776,1189 1.519,1190 1.61,1191 1.55,1192 1.497,1193 1.481,1194 2.036,1195 0.073,1196 4.19,1197 1.428,1198 4,1199 4.019,1200 4.104,1201 3.921,1202 7.497,1203 3.924,1204 3.904,1205 3.92,1206 3.928,1207 3.846,1208 7.429,1209 3.842,1210 3.833,1211 3.866,1212 3.785,1213 3.742,1214 7.352,1215 3.746,1216 3.429,1217 3.435,1218 3.605,1219 3.243,1220 5.006,1221 3.276,1222 3.281,1223 3.295,1224 3.402,1225 3.096,1226 4.86,1227 3.119,1228 2.881,1229 2.922,1230 3.272,1231 2.803,1232 4.716,1233 2.776,1234 2.873,1235 2.914,1236 2.939,1237 2.749,1238 4.623,1239 2.747,1240 2.85,1241 2.893,1242 2.78,1243 2.739,1244 4.086,1245 2.725,1246 0.152,1247 0.132,1248 0.225,1249 0.141,1250 0.105,1251 4.405,1252 0.138,1253 3.837,1254 0.036,1255 6.533,1256 0.347,1257 4.079,1258 0.108,1259 3.057,1260 4.001,1261 1.058,1262 10.065,1263 3.127,1264 1.939,1265 1.921,1266 2.022,1267 2.041,1268 1.112,1269 2.035,1270 1.877,1271 1.864,1272 1.941,1273 1.967,1274 1.057,1275 1.964,1276 1.814,1277 1.781,1278 1.918,1279 1.911,1280 0.944,1281 1.922,1282 1.316,1283 1.31,1284 1.392,1285 1.534,1286 0.387,1287 1.488,1288 1.17,1289 1.15,1290 1.295,1291 1.402,1292 0.297,1293 1.369,1294 0.869,1295 0.824,1296 1.12,1297 1.037,1298 0.181,1299 1.066,1300 0.865,1301 0.82,1302 1.101,1303 1.021,1304 0.171,1305 1.061,1306 0.829,1307 0.79,1308 1.024,1309 0.992,1310 0.093,1311 1.015,1312 4.078,1314 5.389,1316 6.897,1318 8.487,1320 10.117,1323 11.858,1329 2.647,1340 29.003,1341 67.918,1342 122.103,1343 164.911,1344 202.131,1345 206.131,1346 206.131,1347 68.359,1348 7.041,1349 76.13,1350 76.13,1351 18,1352 12.341,1353 4.459,1354 3.7,1355 47.058,1356 109,1357 103,1358 0.211,1359 187.551,1360 331.89,1361 449.385,1362 10721,1363 5.1,1364 19.389,1365 0.718,1366 0.566,1367 20.389,1368 15.291,1369 12.952,1370 0.447,1371 0.296,1372 7.806,1373 12.025,1374 7.587,1375 6.267,1376 13.53,1377 8.576,1378 11.681,1379 0.292,1380 0.159,1381 12.46,1382 6.376,1383 9.724,1384 0.191,1385 0.083,1386 10.318,1387 4.21,1388 7.777,1389 0.125,1390 0.046,1391 8.554,1392 2.849,1393 5.65,1394 0.078,1395 0.024,1396 5.98,1397 1.695,1398 0.334,1399 86.66,1400 0.23,1401 26.085,1402 0.571,1403 138,1404 487.591,1405 179.235,1406 532.097,1407 686.36,1408 490,1409 160,1410 438.353,1411 192.109,1412 465.075,1413 677.07,1414 437,1415 4}
{0 CHEMBL1630809,1 1.676,2 10.84,3 3.171,4 10.054,5 96.182,6 8.985,7 0.63,8 3.764,9 3.848,10 3.532,11 3.445,12 5.017,13 3.407,14 4.217,15 4.326,16 3.866,17 3.788,18 5.486,19 3.729,20 4.448,21 4.604,22 3.813,23 3.789,24 5.859,25 3.729,26 4.396,27 4.561,28 3.831,29 3.667,30 5.809,31 3.648,32 4.346,33 4.486,34 3.75,35 3.608,36 5.84,37 3.606,38 4.284,39 4.44,40 3.645,41 3.614,42 5.645,43 3.561,44 4.212,45 4.369,46 3.584,47 3.623,48 5.559,49 3.525,50 4.183,51 4.372,52 3.456,53 3.527,54 5.467,55 3.412,56 0.052,57 0.501,58 5.425,59 3.37,60 7.791,61 3.622,62 0.135,63 0.802,64 10.74,65 5.733,66 18.789,67 6.159,68 0.405,69 1.02,70 19.37,71 7.591,72 68.281,73 7.764,74 0.312,75 0.925,76 16.605,77 6.783,78 43.164,79 7.421,80 0.393,81 0.855,82 15.432,83 6.263,84 64.313,85 5.808,86 0.38,87 0.821,88 14.102,89 5.944,90 64.651,91 5.846,92 0.312,93 0.785,94 14.591,95 6.335,96 62.229,97 6.816,98 0.28,99 0.768,100 14.261,101 6.092,102 54.943,103 7.026,104 10,105 36,106 0.293,107 0.587,108 0.77,109 0.907,110 0.916,111 0.916,112 3.266,113 0.937,114 -2.97,115 -2.97,116 -2.87,121 48.7,123 1,144 9,145 1,146 1,147 1,148 1,153 1,154 1,159 2,160 1,176 7,180 4,183 1,185 3,187 9,191 2,192 5,197 2,200 3,205 1,206 10,211 3,214 3,219 9,222 1,224 1,227 5,232 4,235 1,239 9,243 1,244 2,247 1,249 1,251 10,255 1,256 1,261 1,264 6,268 1,269 4,274 1,277 3,281 929,282 16.913,283 16.913,284 16.913,285 16.913,286 16.913,287 14.542,288 12.163,289 10.249,290 17.171,291 13.335,292 13.335,293 13.335,294 13.335,295 13.335,296 9.744,297 15.318,298 4.9,299 13.7,300 3.609,301 1.932,302 0.885,303 0.103,304 0.051,305 0.051,306 3.946,310 1,311 1,312 1,313 578,314 3.606,317 78.947,318 181.888,325 1.779,326 33.445,328 1,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 54,338 271,339 4.399,340 3.837,341 6.532,342 4.077,343 3.051,344 3.951,345 1.987,346 10.062,347 3.126,348 4.058,349 3.628,350 5.778,351 3.684,352 2.711,353 3.612,354 0.324,355 8.001,356 2.64,357 3.956,358 2.994,359 5.536,360 3.524,361 2.565,362 3.504,364 7.449,365 2.466,366 3.682,367 2.652,368 5.29,369 3.261,370 2.298,371 3.051,373 6.701,374 2.191,375 3.413,376 2.52,377 4.699,378 2.95,379 1.948,380 2.669,382 5.09,383 1.922,384 3.124,385 2.16,386 4.441,387 2.668,388 1.661,389 2.336,391 4.175,392 1.665,393 2.77,394 1.8,395 3.656,396 2.29,397 1.29,398 1.861,400 2.901,401 1.286,402 2.59,403 1.385,404 3.481,405 2.092,406 1.122,407 1.6,409 2.533,410 1.085,411 2.563,412 1.323,413 3.382,414 2.074,415 1.075,416 1.572,418 2.453,419 1.057,420 2.5,421 1.182,422 3.247,423 1.958,424 1,425 1.5,427 2.136,428 0.955,429 2.207,430 1,431 3.091,432 1.536,433 0.618,434 0.927,436 1.372,437 0.507,438 2.118,439 0.618,440 3,441 1.464,442 0.428,443 0.714,445 0.99,446 0.469,447 1.187,448 0.605,449 2.771,450 0.875,451 -0.08,452 -0.094,454 -0.221,455 -0.076,456 0.971,457 0.194,458 2.237,459 0.563,460 -0.471,461 -0.638,463 -1.148,464 -0.476,465 0.751,466 -0.125,467 2.163,468 0.266,469 -0.748,470 -1.057,472 -1.609,473 -0.741,474 12.133,475 0.485,476 0.541,477 0.022,478 36.25,479 1.45,480 21,481 0.84,482 15.25,483 0.61,484 15.89,485 0.636,486 25.067,487 0.643,488 26.513,489 1.061,490 7.327,491 0.293,492 4.804,493 0.192,494 0.082,496 0.288,501 0.585,502 0.987,503 0.674,504 0.813,505 0.528,506 0.787,507 0.622,508 1.164,509 0.911,510 1.066,511 0.624,512 1.016,513 1.015,514 1.085,515 1.222,516 1.143,517 0.923,518 1.068,519 1.125,520 1.093,521 0.693,522 0.975,523 1.168,524 0.919,525 1.763,526 0.995,527 0.944,528 0.868,529 1.825,530 0.878,531 1.506,532 0.808,533 0.956,534 0.742,535 1.551,536 0.898,537 0.805,538 0.953,539 1.14,540 1.067,541 0.829,542 1.094,543 0.682,544 1.003,545 1.001,546 1.015,547 0.639,548 1.101,549 4.5,550 0.103,551 2.222,552 1.91,553 1.048,554 0.75,555 0.371,556 0.227,557 0.193,558 0.127,559 7510,560 24354,561 2.062,562 35.9,564 9,565 1,566 1,567 1,568 2,572 1.679,573 1.948,574 3.44,575 -0.317,576 1,577 1,579 1,582 65.362,583 1.676,584 3.354,585 4.4,586 5.183,587 5.234,588 5.234,589 2.923,590 4.214,591 4.615,592 3.59,593 1077.06,594 7.973,595 13370.2,596 1,597 1,598 1,599 1,600 206.131,601 1.323,602 4.583,603 0.167,604 0.007,605 0.062,606 0.056,607 0.032,608 0.023,609 0.013,610 0.009,611 0.009,612 0.007,613 0.385,614 0.33,615 1,616 0.553,617 121.979,618 -0.039,620 0.04,621 0.056,622 -0.047,623 0.04,624 0.042,625 -0.168,626 -0.051,627 -0.128,628 -0.017,629 -0.14,630 0.023,631 -0.06,632 -0.214,633 -0.161,634 0.084,635 -0.132,636 0.032,637 -0.142,638 0.168,639 -0.087,640 0.023,641 0.031,642 -0.237,643 -0.031,644 -0.084,645 0.011,646 -0.203,647 0.002,648 -0.24,649 0.166,650 -0.098,651 0.148,652 -0.239,653 0.016,654 0.074,655 0.006,656 -0.138,657 -0.058,658 0.058,659 -0.114,660 0.107,661 -0.043,662 -0.026,663 -0.037,664 0.117,665 -0.076,666 2.345,667 5.339,668 0.68,669 23.059,670 1.014,671 1.103,672 1.74,673 3.026,674 0.733,675 3.332,676 3.611,677 3.829,678 4.025,679 4.094,680 4.06,681 4.143,682 4.143,683 4.159,684 4.174,685 6.483,686 0.706,687 350.42,688 3.332,689 4.844,690 5.666,691 6.515,692 7.349,693 8.202,694 9.041,695 9.895,696 10.737,697 11.592,698 5.1,705 1,708 1,715 11,716 1,719 1,720 4,722 17,727 2,741 39,743 20,744 1,745 27,747 41,748 19,749 15,750 2,751 4,752 2,756 3,757 3,770 1,772 18,773 1,777 3,782 3,786 3,789 1,790 1,793 14,794 5,795 1,796 6,797 1,802 2,808 1,809 3,822 1,828 1,829 2,843 1,859 3,862 1,868 25,876 1,877 1,888 1,893 7.7,896 3,901 12.833,902 7.033,903 5.583,904 2.179,907 2.762,908 1.406,909 0.989,910 5.344,911 9.56,912 3.676,913 4.223,914 4.748,915 5.243,916 5.578,917 5.631,918 5.957,919 6.079,920 6.271,921 6.567,922 1,923 34,924 9.28,926 3.998,927 0.026,929 8.04,931 17.099,933 13.659,936 2.54,937 63.5,941 153.024,942 160.824,943 34.796,945 75.435,947 31.278,948 129.546,949 228.459,950 34.796,952 20.545,953 92.935,954 118.963,955 17.746,956 13.13,957 160.76,959 153.024,960 164.343,961 75.435,962 31.278,964 153.024,965 75.435,968 32.349,969 115.208,970 16.786,971 31.278,972 153.024,973 110.231,974 160.824,977 153.024,978 58.841,979 101.983,980 18.011,981 92.22,982 153.024,983 110.231,984 160.824,986 0.571,987 0.33,988 0.176,989 0.083,990 16,991 7,992 0.146,993 6,995 1,996 3.788,997 195.365,999 17,1000 114.096,1001 1,1005 17.032,1006 7.845,1007 4.386,1009 110.231,1010 18.284,1011 3.899,1014 1.505,1015 1.737,1017 18.011,1018 424.079,1019 38.5,1024 36.581,1028 -1.515,1031 39.564,1032 43.036,1034 0.317,1035 0.635,1036 0.832,1037 0.981,1038 0.99,1039 0.99,1040 4.869,1041 1.122,1042 5.624,1043 2.901,1044 4.29,1045 4.909,1046 2.076,1047 6.372,1048 4.254,1049 6.06,1050 1.075,1051 7.144,1052 2.533,1053 3.761,1054 4.511,1055 1.593,1056 7.13,1057 3.758,1058 7.34,1059 1,1060 8.766,1061 2.453,1062 5.82,1063 7.017,1064 3.1,1065 10.227,1066 5.768,1067 8.655,1068 0.618,1069 10.449,1070 2.136,1071 6.133,1072 7.447,1073 3.168,1074 11.824,1075 6.129,1076 10.001,1077 0.428,1078 12.172,1079 1.372,1080 7.624,1081 9.37,1082 4.312,1083 14.422,1084 7.589,1085 11.367,1086 -0.08,1087 13.923,1088 0.99,1089 8.33,1090 10.197,1091 4.654,1092 16.378,1093 8.348,1094 12.751,1095 -0.471,1096 15.694,1097 -0.221,1098 9.584,1099 11.855,1100 5.601,1101 18.799,1102 9.591,1103 3.051,1104 -0.748,1105 17.482,1106 -1.148,1107 10.482,1108 12.897,1109 6.091,1110 20.927,1111 10.542,1112 2.711,1113 10.062,1114 19.282,1115 -1.609,1116 11.636,1117 14.418,1118 6.927,1119 23.279,1120 11.703,1121 2.565,1122 8.001,1123 21.092,1124 3.951,1125 12.631,1126 15.582,1127 7.5,1128 25.492,1129 12.746,1130 2.298,1131 7.449,1132 22.911,1133 3.612,1134 13.744,1135 17.03,1136 8.273,1137 27.817,1138 13.879,1139 1.948,1140 6.701,1141 24.738,1142 3.504,1143 14.788,1144 18.267,1145 8.894,1146 30.074,1147 14.966,1148 1.661,1149 5.09,1150 26.571,1151 3.051,1152 15.887,1153 19.674,1154 9.631,1155 32.388,1156 16.092,1157 1.29,1158 4.175,1159 28.41,1160 2.669,1161 16.958,1162 20.956,1163 10.279,1164 34.669,1165 17.202,1166 7246,1167 13177,1168 18.087,1169 28.591,1170 40.539,1171 42.399,1172 40.477,1173 39.512,1174 39.533,1175 54.594,1176 4.622,1177 107.725,1178 38.739,1179 5.278,1180 5.837,1181 6.334,1182 5.142,1183 5.051,1184 6.951,1185 3.497,1186 17.218,1187 5.126,1188 10.6,1189 1.501,1190 1.57,1191 1.499,1192 1.463,1193 1.464,1194 2.022,1195 0.171,1196 3.99,1197 1.435,1198 3.989,1199 4.01,1200 4.22,1201 3.937,1202 7.497,1203 3.91,1204 3.875,1205 3.896,1206 3.934,1207 3.873,1208 7.428,1209 3.821,1210 3.833,1211 3.857,1212 3.786,1213 3.744,1214 7.352,1215 3.748,1216 3.471,1217 3.492,1218 3.446,1219 3.275,1220 4.861,1221 3.305,1222 3.346,1223 3.354,1224 3.296,1225 3.169,1226 4.722,1227 3.189,1228 2.893,1229 2.966,1230 2.797,1231 2.752,1232 4.655,1233 2.751,1234 2.871,1235 2.913,1236 2.734,1237 2.743,1238 3.926,1239 2.732,1240 2.768,1241 2.845,1242 2.682,1243 2.578,1244 3.832,1245 2.582,1246 0.163,1247 0.142,1248 0.242,1249 0.151,1250 0.113,1251 4.399,1252 0.146,1253 3.837,1254 0.074,1255 6.532,1256 0.373,1257 4.077,1258 0.116,1259 3.051,1260 3.951,1261 1.987,1262 10.062,1263 3.126,1264 1.93,1265 1.91,1266 2.019,1267 2.035,1268 1.109,1269 2.029,1270 1.82,1271 1.786,1272 1.934,1273 1.946,1274 0.988,1275 1.944,1276 1.622,1277 1.6,1278 1.76,1279 1.755,1280 0.943,1281 1.762,1282 1.42,1283 1.395,1284 1.546,1285 1.542,1286 0.651,1287 1.563,1288 1.297,1289 1.296,1290 1.375,1291 1.476,1292 0.38,1293 1.452,1294 1.083,1295 1.064,1296 1.195,1297 1.236,1298 0.289,1299 1.27,1300 0.865,1301 0.82,1302 1.117,1303 1.036,1304 0.186,1305 1.064,1306 0.796,1307 0.749,1308 1.001,1309 0.984,1310 0.166,1311 1.015,1312 4.007,1314 5.293,1315 2.398,1316 6.763,1317 4.443,1318 8.312,1319 6.26,1320 9.903,1328 0.267,1329 2.743,1340 27.535,1341 65.362,1342 130.793,1343 171.601,1344 202.131,1345 204.131,1346 204.131,1347 55.036,1348 6.798,1349 76.13,1350 104.37,1351 17,1352 12.149,1353 4.392,1354 3.644,1355 41.852,1356 97,1357 86,1358 0.209,1359 175.352,1360 305.32,1361 419.618,1362 7920,1364 17.648,1365 0.706,1366 0.558,1367 18.002,1368 13.955,1369 12.131,1370 0.449,1371 0.312,1372 7.559,1373 11.294,1374 7.321,1375 6.069,1376 12.585,1377 8.436,1378 10.636,1379 0.295,1380 0.175,1381 11.246,1382 6.291,1383 8.736,1384 0.194,1385 0.096,1386 9.352,1387 4.304,1388 7.023,1389 0.128,1390 0.054,1391 7.657,1392 2.963,1393 4.862,1394 0.082,1395 0.027,1396 5.141,1397 1.585,1398 0.331,1399 79.922,1400 0.235,1401 24.609,1402 0.562,1403 126,1404 424.045,1405 158.479,1406 430.963,1407 570.24,1408 400,1409 144,1410 384.027,1411 170.844,1412 404.065,1413 583.11,1414 380,1415 4}
{0 CHEMBL1630810,1 1.512,2 11.462,3 3.669,4 13.46,5 97.84,6 8.2,7 0.643,8 3.825,9 3.921,10 3.466,11 3.46,12 5.077,13 3.444,14 4.28,15 4.408,16 3.8,17 3.799,18 5.544,19 3.772,20 4.527,21 4.684,22 3.886,23 3.881,24 5.943,25 3.846,26 4.553,27 4.741,28 3.781,29 3.76,30 5.926,31 3.73,32 4.434,33 4.605,34 3.723,35 3.659,36 5.853,37 3.655,38 4.294,39 4.432,40 3.648,41 3.651,42 5.689,43 3.628,44 4.345,45 4.519,46 3.532,47 3.655,48 5.698,49 3.589,50 4.27,51 4.483,52 3.418,53 3.557,54 5.53,55 3.469,56 0.034,57 0.536,58 6.484,59 3.579,60 6.669,61 4.182,62 0.112,63 0.844,64 11.565,65 5.787,66 19.171,67 6.996,68 0.298,69 1.064,70 16.893,71 7.361,72 56.56,73 8.876,74 0.321,75 1.063,76 19.805,77 7.686,78 55.004,79 9.115,80 0.394,81 0.917,82 17.909,83 6.616,84 75.3,85 7.217,86 0.27,87 0.813,88 13.491,89 5.712,90 50.122,91 6.221,92 0.372,93 0.875,94 15.322,95 6.248,96 75.26,97 7.284,98 0.229,99 0.816,100 14.901,101 6.245,102 48.497,103 8.247,104 17,105 38,106 0.26,107 0.541,108 0.709,109 0.857,110 0.876,111 0.876,112 3.304,113 0.86,114 -3.62,115 -3.59,116 -3.42,121 50,122 1,144 11,145 3,146 1,147 1,148 1,159 2,160 1,176 13,180 4,183 1,185 3,187 13,191 2,192 7,197 4,200 7,205 1,206 10,211 3,214 4,219 9,222 1,224 1,227 9,232 5,235 1,237 1,239 13,243 1,244 2,247 1,249 1,251 12,255 1,256 3,261 1,264 8,268 1,269 6,274 1,277 5,281 992,282 17.413,283 17.413,284 17.413,285 17.413,286 17.413,287 14.95,288 11.693,289 10.359,290 17.461,291 13.779,292 13.779,293 13.779,294 13.779,295 13.779,296 10.029,297 12.752,298 4.922,299 13.806,300 3.881,301 2.252,302 1.275,303 0.417,304 0.304,305 0.304,306 3.983,310 1,311 1,312 1,313 632,314 3.536,318 281.75,325 1.769,326 34.092,328 1,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 56,338 298,339 4.4,340 3.837,341 6.532,342 4.078,343 3.053,344 3.954,345 1.058,346 10.063,347 3.127,348 4.201,349 3.572,350 6.06,351 3.847,352 2.845,353 3.766,355 8.729,356 2.845,357 4.002,358 2.994,359 5.754,360 3.58,361 2.589,362 3.593,364 7.831,365 2.563,366 3.699,367 2.608,368 5.265,369 3.315,370 2.32,371 3.082,373 6.583,374 2.306,375 3.547,376 2.527,377 5.001,378 3.135,379 2.137,380 2.912,382 5.93,383 2.125,384 3.162,385 2.16,386 4.51,387 2.709,388 1.706,389 2.398,391 4.311,392 1.705,393 2.838,394 1.888,395 4.017,396 2.368,397 1.361,398 1.936,400 3.315,401 1.365,402 2.698,403 1.793,404 3.646,405 2.194,406 1.172,407 1.703,409 2.836,410 1.189,411 2.586,412 1.323,413 3.474,414 2.083,415 1.074,416 1.594,418 2.495,419 1.08,420 2.5,421 1.182,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1,431 3.247,432 1.958,433 1,434 1.5,436 2.136,437 0.955,438 2.207,439 1,440 3.091,441 1.536,442 0.427,443 0.714,445 0.989,446 0.468,447 1.188,448 0.481,449 2.718,450 0.871,451 -0.107,452 -0.13,454 -0.261,455 -0.105,456 1.112,457 0.095,458 2.236,459 0.697,460 -0.335,461 -0.453,463 -0.752,464 -0.342,465 0.751,466 -0.125,467 2,468 0.266,469 -0.748,470 -1.055,472 -1.609,473 -0.741,474 12.3,475 0.473,476 0.63,477 0.024,478 38.75,479 1.49,480 23,481 0.885,482 15.75,483 0.606,484 15.729,485 0.605,486 26.1,487 0.621,488 29.896,489 1.15,490 8.007,491 0.308,492 4.535,493 0.174,494 0.122,496 0.325,501 0.574,502 1.044,503 0.69,504 0.912,505 0.54,506 0.836,507 0.594,508 1.137,509 0.777,510 1.038,511 0.608,512 0.96,513 0.819,514 1.162,515 0.942,516 1.122,517 0.769,518 1.063,519 1.266,520 1.061,521 0.977,522 1.028,523 1.248,524 0.962,525 1.71,526 0.84,527 1.002,528 0.781,529 1.778,530 0.766,531 1.401,532 1.033,533 1.112,534 1.001,535 1.468,536 1.007,537 1.115,538 0.896,539 1.19,540 0.967,541 1.122,542 1.068,543 0.511,544 1.004,545 0.88,546 1.035,547 0.447,548 1.023,549 5,550 0.124,551 3.111,552 1.813,553 1.396,554 0.799,555 0.367,556 0.347,557 0.246,558 0.191,559 8150,560 23964,561 2.037,562 38.1,563 3,564 11,566 1,567 1,572 1.689,573 1.902,574 3.503,575 -0.37,577 1,582 63.484,583 1.512,584 3.14,585 4.117,586 4.975,587 5.089,588 5.089,589 2.95,590 3.873,591 4.672,592 3.623,593 1177.59,594 8.087,595 14944.7,596 1,597 1,599 1,600 226.477,601 1.42,602 4.628,603 0.179,604 0.007,605 0.082,606 0.046,607 0.041,608 0.024,609 0.012,610 0.013,611 0.01,612 0.01,613 0.424,614 0.33,615 1,616 0.596,617 128.373,618 -0.03,619 -0.02,620 0.021,621 0.019,622 -0.06,623 0.028,624 0.068,625 -0.126,626 0.022,627 -0.096,628 0.002,629 -0.059,630 0.126,631 -0.156,632 -0.031,633 -0.175,634 0.146,635 -0.139,636 -0.053,637 -0.078,638 0.051,639 -0.061,640 -0.02,641 0.001,642 -0.194,643 0.14,644 0.044,645 0.182,646 -0.191,647 0.162,648 -0.163,649 -0.043,650 -0.19,651 -0.056,652 -0.189,653 -0.117,654 -0.041,655 0.096,656 -0.227,657 -0.004,658 -0.049,659 -0.123,660 0.192,661 -0.042,662 0.109,663 -0.036,664 0.223,665 0.014,666 2.354,667 5.388,668 0.692,669 23.704,670 1.009,671 1.108,672 2.387,673 5.697,674 0.707,675 3.367,676 3.664,677 3.892,678 4.06,679 4.248,680 4.19,681 4.22,682 4.263,683 4.29,684 4.317,685 6.6,686 0.687,687 344.39,688 3.367,689 4.89,690 5.72,691 6.572,692 7.416,693 8.272,694 9.12,695 9.977,696 10.828,697 11.686,698 4.8,705 1,708 1,715 12,716 1,720 5,722 18,727 2,729 1,741 42,743 21,744 2,745 28,747 44,748 21,749 17,750 4,751 8,752 3,756 3,757 3,763 1,772 20,773 1,777 3,782 3,786 3,789 1,790 1,793 16,794 5,795 1,796 5,802 2,808 1,809 3,822 1,829 3,859 3,864 1,868 26,877 1,893 7.1,896 3,901 13.667,902 7.95,903 5.778,904 2.394,907 3.065,908 1.441,909 0.984,910 5.12,911 10.013,912 3.714,913 4.284,914 4.838,915 5.314,916 5.813,917 5.844,918 6.094,919 6.271,920 6.536,921 6.854,922 0.875,923 39,924 9.643,926 4.145,927 0.026,929 8.032,931 17.733,933 14.091,936 2.532,937 65.833,940 1,941 176.567,942 152.153,943 34.796,945 75.435,948 152.153,949 252.001,950 34.796,951 8.825,952 18.011,953 104.239,954 118.963,955 24.118,957 164.795,959 176.567,960 186.949,961 75.435,964 176.567,965 75.435,968 38.64,969 131.524,970 16.786,972 176.567,973 110.231,974 152.153,977 176.567,978 30.042,979 122.111,980 18.011,981 92.22,982 176.567,983 110.231,984 152.153,986 0.579,987 0.337,988 0.17,989 0.092,990 17,991 8,992 0.114,993 5,995 1,996 3.811,997 208.575,999 18,1000 118.211,1005 17.409,1006 7.646,1007 4.175,1009 110.231,1010 19.698,1011 3.903,1015 2.295,1017 18.011,1018 438.951,1019 40,1024 36.91,1028 -1.645,1031 42.371,1032 46.531,1034 0.28,1035 0.582,1036 0.763,1037 0.923,1038 0.944,1039 0.944,1040 4.916,1041 1.172,1042 5.694,1043 3.315,1044 4.344,1045 4.97,1046 1.176,1047 6.46,1048 4.346,1049 6.122,1050 1.074,1051 7.233,1052 2.836,1053 3.892,1054 4.649,1056 7.277,1057 3.926,1058 7.414,1059 1,1060 8.874,1061 2.495,1062 5.9,1063 7.113,1064 1.255,1065 10.353,1066 5.911,1067 8.74,1068 1,1069 10.572,1070 2.275,1071 6.256,1072 7.572,1074 11.978,1075 6.313,1076 10.095,1077 0.427,1078 12.308,1079 2.136,1080 7.731,1081 9.502,1082 1.338,1083 14.57,1084 7.767,1085 11.471,1086 -0.107,1087 14.07,1088 0.989,1089 8.459,1090 10.335,1092 16.535,1093 8.544,1094 12.864,1095 -0.335,1096 15.85,1097 -0.261,1098 9.712,1099 12.015,1100 1.422,1101 18.949,1102 9.787,1103 3.053,1104 -0.748,1105 17.645,1106 -0.752,1107 10.622,1108 13.052,1110 21.074,1111 10.74,1112 2.845,1113 10.063,1114 19.45,1115 -1.609,1116 11.777,1117 14.597,1118 1.51,1119 23.417,1120 11.899,1121 2.589,1122 8.729,1123 21.264,1124 3.954,1125 12.778,1126 15.755,1128 25.623,1129 12.937,1130 2.32,1131 7.831,1132 23.085,1133 3.766,1134 13.893,1135 17.222,1136 1.599,1137 27.937,1138 14.065,1139 2.137,1140 6.583,1141 24.912,1142 3.593,1143 14.939,1144 18.454,1146 30.186,1147 15.145,1148 1.706,1149 5.93,1150 26.744,1151 3.082,1152 16.039,1153 19.875,1154 1.69,1155 32.489,1156 16.264,1157 1.361,1158 4.311,1159 28.581,1160 2.912,1161 17.11,1162 21.154,1164 34.761,1165 17.364,1166 7920,1167 13732,1168 18.493,1169 29.705,1170 42.395,1171 44.673,1172 42.887,1173 41.435,1174 41.368,1175 57.3,1176 2.117,1177 114.981,1178 41.46,1179 5.25,1180 5.837,1181 6.334,1182 5.116,1183 5.053,1184 6.954,1185 2.117,1186 17.22,1187 5.127,1188 12.894,1189 1.514,1190 1.595,1191 1.532,1192 1.48,1193 1.477,1194 2.046,1195 0.076,1196 4.106,1197 1.481,1198 4.003,1199 4.026,1200 3.958,1201 3.92,1202 7.497,1203 3.924,1204 3.912,1205 3.936,1206 3.86,1207 3.844,1208 7.429,1209 3.843,1210 3.835,1211 3.871,1212 3.775,1213 3.743,1214 7.352,1215 3.747,1216 3.444,1217 3.462,1218 3.399,1219 3.255,1220 4.862,1221 3.286,1222 3.329,1223 3.348,1224 3.26,1225 3.16,1226 4.743,1227 3.176,1228 3.025,1229 3.112,1230 2.851,1231 2.83,1232 4.686,1233 2.828,1234 2.872,1235 2.925,1236 2.773,1237 2.748,1238 3.944,1239 2.743,1240 2.854,1241 2.913,1242 2.687,1243 2.735,1244 3.832,1245 2.715,1246 0.157,1247 0.137,1248 0.233,1249 0.146,1250 0.109,1251 4.4,1252 0.141,1253 3.837,1254 0.038,1255 6.532,1256 0.359,1257 4.078,1258 0.112,1259 3.053,1260 3.954,1261 1.058,1262 10.063,1263 3.127,1264 1.949,1265 1.927,1266 2.052,1267 2.05,1268 1.146,1269 2.048,1270 1.902,1271 1.881,1272 2.006,1273 1.995,1274 1.094,1275 1.999,1276 1.816,1277 1.782,1278 1.932,1279 1.93,1280 0.945,1281 1.935,1282 1.347,1283 1.326,1284 1.564,1285 1.572,1286 0.632,1287 1.552,1288 1.264,1289 1.238,1290 1.382,1291 1.464,1292 0.378,1293 1.443,1294 1.004,1295 0.929,1296 1.256,1297 1.271,1298 0.262,1299 1.282,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.865,1307 0.82,1308 1.119,1309 1.036,1310 0.179,1311 1.064,1312 4.043,1314 5.342,1316 6.838,1318 8.413,1320 10.025,1322 1.94,1329 2.734,1340 28.875,1341 63.484,1342 131.894,1343 172.914,1344 208.968,1345 213.722,1346 213.722,1347 58.394,1348 6.948,1349 76.13,1350 76.13,1351 18,1352 12.239,1353 4.459,1354 3.7,1355 44.431,1356 104,1357 104,1358 0.21,1359 180.478,1360 318.77,1361 432.126,1362 9538,1364 18.518,1365 0.712,1366 0.542,1367 18.518,1368 14.1,1369 12.542,1370 0.448,1371 0.287,1372 7.951,1373 12.216,1374 7.729,1375 6.465,1376 12.542,1377 8.026,1378 11.142,1379 0.293,1380 0.152,1381 11.142,1382 5.774,1383 9.36,1384 0.195,1385 0.079,1386 9.36,1387 3.8,1388 7.116,1389 0.125,1390 0.042,1391 7.116,1392 2.391,1393 5.59,1394 0.081,1395 0.023,1396 5.59,1397 1.593,1398 0.332,1399 77.845,1400 0.233,1401 25.355,1402 0.565,1403 132,1404 427.185,1405 142.196,1406 416.808,1407 555.57,1408 386,1409 152,1410 393.627,1411 162.64,1412 402.703,1413 582.72,1414 378,1415 4}
{0 CHEMBL1630811,1 1.741,2 11.556,3 3.594,4 12.914,5 93.232,6 9.393,7 0.621,8 3.784,9 3.866,10 3.522,11 3.399,12 5.161,13 3.42,14 4.23,15 4.329,16 3.883,17 3.727,18 5.681,19 3.75,20 4.509,21 4.654,22 4.007,23 3.788,24 6.199,25 3.816,26 4.463,27 4.62,28 3.853,29 3.65,30 6.011,31 3.689,32 4.361,33 4.493,34 3.819,35 3.584,36 6.04,37 3.631,38 4.284,39 4.414,40 3.719,41 3.599,42 5.9,43 3.606,44 4.276,45 4.438,46 3.616,47 3.594,48 5.742,49 3.565,50 4.233,51 4.42,52 3.546,53 3.464,54 5.724,55 3.446,56 0.168,57 0.65,58 3.934,59 3.273,60 28.526,61 3.068,62 0.318,63 1.017,64 6.916,65 5.194,66 51.85,67 4.977,68 0.822,69 1.407,70 14.065,71 6.971,72 144.445,73 6.77,74 0.724,75 1.131,76 15.295,77 6.641,78 125.864,79 6.174,80 0.804,81 0.975,82 13.461,83 5.771,84 145.934,85 5.003,86 0.683,87 0.951,88 11.036,89 5.476,90 119.605,91 4.937,92 0.54,93 0.956,94 11.794,95 5.993,96 104.549,97 6.335,98 0.522,99 0.971,100 12.504,101 5.774,102 93.717,103 6.406,104 26,105 40,106 0.304,107 0.547,108 0.729,109 0.896,110 0.923,111 0.923,112 3.34,113 0.809,114 -3.62,115 -3.59,116 -3.42,121 51.3,144 10,145 2,146 3,147 1,148 1,159 2,160 1,176 9,180 4,183 1,185 3,187 7,191 2,192 7,197 4,200 3,205 1,206 9,211 2,214 3,219 8,222 1,227 9,232 4,235 1,239 11,243 1,244 2,247 1,249 1,251 8,255 1,256 3,261 1,264 3,268 1,269 5,274 1,277 2,281 1110,282 17.913,283 17.913,284 17.913,285 17.913,286 17.913,287 15.398,288 11.47,289 10.528,290 18.066,291 14.247,292 14.247,293 14.247,294 14.247,295 14.247,296 10.415,297 12.218,298 4.981,299 14.501,300 3.544,301 2.155,302 1.108,303 0.154,306 4.017,310 1,311 1,312 1,313 659,314 3.606,318 293.675,325 1.794,326 53.504,328 1,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 61,338 312,339 4.401,340 3.837,341 6.532,342 4.078,343 3.053,344 3.967,345 1.058,346 10.063,347 3.127,348 4.298,349 3.584,350 6.148,351 3.908,352 2.927,353 3.926,355 9.002,356 2.873,357 4.032,358 3.251,359 5.802,360 3.618,361 2.649,362 3.606,364 7.949,365 2.574,366 3.834,367 2.993,368 5.724,369 3.441,370 2.47,371 3.211,373 7.534,374 2.356,375 3.577,376 2.547,377 5.24,378 3.155,379 2.168,380 2.958,382 6.451,383 2.128,384 3.164,385 2.16,386 4.513,387 2.709,388 1.706,389 2.4,391 4.317,392 1.704,393 2.844,394 2.131,395 4.109,396 2.365,397 1.414,398 1.96,400 3.565,401 1.356,402 2.817,403 1.909,404 3.988,405 2.35,406 1.361,407 1.929,409 3.308,410 1.31,411 2.698,412 1.795,413 3.647,414 2.185,415 1.171,416 1.702,418 2.838,419 1.175,420 2.586,421 1.323,422 3.475,423 2.082,424 1.074,425 1.594,427 2.495,428 1.08,429 2.5,430 1.182,431 3.247,432 1.958,433 1,434 1.5,436 2.136,437 0.955,438 2.207,439 1,440 3.092,441 1.536,442 0.427,443 0.714,445 0.989,446 0.468,447 1.366,448 0.714,449 2.784,450 0.983,451 0.108,452 0.129,454 0.24,455 0.092,456 1.179,457 0.448,458 2.377,459 0.766,460 -0.225,461 -0.294,463 -0.564,464 -0.219,465 0.751,466 -0.079,467 2.239,468 0.292,469 -0.655,470 -0.861,472 -1.609,473 -0.594,474 12.371,475 0.458,476 0.72,477 0.027,478 39.75,479 1.472,480 23,481 0.852,482 16.75,483 0.62,484 16.211,485 0.6,486 27.829,487 0.714,488 32.64,489 1.209,490 8.388,491 0.311,492 4.564,493 0.169,494 0.127,496 0.364,499 2,501 0.556,502 0.868,503 0.575,504 0.882,505 0.544,506 0.788,507 0.645,508 1.051,509 0.722,510 1.111,511 0.648,512 1.017,513 0.842,514 0.976,515 0.904,516 1.053,517 0.799,518 1.019,519 1.176,520 0.923,521 1.06,522 0.996,523 1.186,524 0.971,525 1.116,526 0.683,527 1.011,528 0.817,529 1.244,530 0.851,531 0.909,532 0.709,533 1.092,534 0.914,535 1.017,536 1.038,537 0.724,538 0.839,539 1.015,540 1.039,541 0.747,542 1.135,543 0.794,544 1.045,545 0.972,546 1.106,547 0.722,548 1.116,549 5.5,550 0.14,551 3.556,552 2,553 1.667,554 0.799,555 0.448,556 0.378,557 0.267,558 0.227,559 8911,560 34665,561 2.014,562 30.8,564 10,566 1,567 1,572 1.699,573 1.862,574 3.522,575 -0.309,577 1,582 67.918,583 1.741,584 3.131,585 4.177,586 5.132,587 5.285,588 5.285,589 2.949,590 4.533,591 4.728,592 3.65,593 1281.01,594 8.198,595 16723.7,596 1,597 1,598 1,599 1,600 206.131,601 1.487,602 4.672,603 0.19,604 0.007,605 0.089,606 0.048,607 0.046,608 0.023,609 0.014,610 0.013,611 0.01,612 0.01,613 0.45,614 0.33,615 1,616 0.627,617 134.984,618 -0.031,619 -0.019,620 0.005,621 0.02,622 -0.049,623 0.031,624 -0.002,625 -0.172,626 -0.04,627 -0.199,628 -0.027,629 -0.166,630 0.09,631 -0.006,632 0.02,633 -0.103,634 0.122,635 -0.082,636 -0.181,637 -0.06,638 -0.055,639 -0.044,640 -0.151,642 -0.072,643 0.108,644 -0.049,645 0.122,646 -0.107,647 0.07,648 -0.007,649 0.113,650 -0.205,651 0.027,652 -0.069,653 -0.118,654 0.022,655 -0.045,656 -0.071,657 -0.063,658 0.009,659 -0.102,660 0.034,661 -0.127,662 0.068,663 -0.111,664 0.076,665 -0.038,666 2.812,667 5.342,668 0.667,669 24.642,670 1.039,671 1.123,672 2.387,673 5.697,674 0.713,675 3.401,676 3.714,677 3.951,678 4.111,679 4.304,680 4.248,681 4.29,682 4.304,683 4.357,684 4.394,685 6.744,686 0.721,687 366.34,688 3.401,689 4.934,690 5.771,691 6.629,692 7.48,693 8.34,694 9.195,695 10.056,696 10.913,697 11.774,698 5.1,705 1,708 1,715 11,716 1,720 6,722 18,727 2,729 1,740 2,741 39,743 21,744 2,745 29,747 41,748 20,749 17,750 5,751 7,752 3,756 3,757 3,772 20,777 3,782 3,786 3,789 1,790 1,791 2,793 12,794 7,795 1,796 7,802 2,808 1,809 3,822 1,829 3,859 3,866 2,868 27,877 1,892 2,893 7.7,896 3,901 14.5,902 7.152,903 5.972,904 2.167,907 3.092,908 1.439,909 0.991,910 5.258,911 10.134,912 3.738,913 4.324,914 4.885,915 5.357,916 5.862,917 5.907,918 6.158,919 6.3,920 6.586,921 6.916,922 0.875,923 42,924 10.1,926 4.536,927 0.026,929 8.444,931 17.8,933 14.191,936 2.944,937 79.5,941 129.482,942 148.908,943 34.796,945 75.435,946 29.92,948 148.908,949 204.917,950 64.717,952 18.011,953 94.762,954 118.963,955 39.174,956 29.92,957 117.711,959 129.482,960 183.704,961 105.355,964 159.402,965 75.435,968 29.815,969 137.104,970 16.786,972 159.402,973 110.231,974 148.908,977 129.482,978 45.098,979 103.81,980 18.011,981 122.141,982 129.482,983 140.151,984 148.908,986 0.585,987 0.346,988 0.17,989 0.091,990 18,991 9,992 0.122,993 5,995 1,996 3.851,997 221.163,999 18,1000 128.382,1005 18.252,1006 7.777,1007 4.172,1009 140.151,1010 14.514,1011 3.845,1015 -1.994,1017 18.011,1018 418.542,1019 41,1024 36.687,1028 -2.244,1031 40.513,1032 43.795,1034 0.329,1035 0.592,1036 0.79,1037 0.971,1038 1,1039 1,1040 4.952,1041 1.361,1042 5.759,1043 3.565,1044 4.394,1045 5.011,1046 1.176,1047 6.544,1048 4.367,1049 6.169,1050 1.171,1051 7.315,1052 3.308,1053 4.007,1054 4.771,1056 7.394,1057 3.972,1058 7.472,1059 1.074,1060 8.971,1061 2.838,1062 5.974,1063 7.177,1064 1.255,1065 10.471,1066 5.933,1067 8.809,1068 1,1069 10.683,1070 2.495,1071 6.382,1072 7.71,1074 12.101,1075 6.351,1076 10.174,1077 0.427,1078 12.43,1079 2.136,1080 7.831,1081 9.596,1082 1.338,1083 14.695,1084 7.794,1085 11.56,1086 0.108,1087 14.2,1088 0.989,1089 8.595,1090 10.493,1092 16.654,1093 8.58,1094 12.961,1095 -0.225,1096 15.986,1097 0.24,1098 9.834,1099 12.144,1100 1.422,1101 19.067,1102 9.818,1103 3.053,1104 -0.655,1105 17.784,1106 -0.564,1107 10.766,1108 13.235,1110 21.184,1111 10.777,1112 2.927,1113 10.063,1114 19.591,1115 -1.609,1116 11.915,1117 14.761,1118 1.51,1119 23.523,1120 11.933,1121 2.649,1122 9.002,1123 21.405,1124 3.967,1125 12.928,1126 15.963,1128 25.72,1129 12.973,1130 2.47,1131 7.949,1132 23.225,1133 3.926,1134 14.041,1135 17.421,1136 1.599,1137 28.029,1138 14.1,1139 2.168,1140 7.534,1141 25.05,1142 3.606,1143 15.095,1144 18.688,1146 30.271,1147 15.18,1148 1.706,1149 6.451,1150 26.879,1151 3.211,1152 16.194,1153 20.107,1154 1.69,1155 32.569,1156 16.298,1157 1.414,1158 4.317,1159 28.713,1160 2.958,1161 17.268,1162 21.414,1164 34.835,1165 17.399,1166 8695,1167 17298,1168 18.898,1169 27.818,1170 43.986,1171 47.111,1172 44.882,1173 43.102,1174 43.057,1175 59.194,1176 2.117,1177 121.774,1178 42.397,1179 5.252,1180 5.837,1181 6.334,1182 5.116,1183 5.053,1184 6.967,1185 2.117,1186 17.22,1187 5.127,1188 14.856,1189 1.517,1190 1.625,1191 1.548,1192 1.486,1193 1.485,1194 2.041,1195 0.073,1196 4.199,1197 1.462,1198 4.001,1199 4.023,1200 3.964,1201 3.911,1202 8.24,1203 3.919,1204 3.91,1205 3.931,1206 3.878,1207 3.822,1208 8.161,1209 3.83,1210 3.834,1211 3.869,1212 3.778,1213 3.742,1214 7.497,1215 3.746,1216 3.432,1217 3.44,1218 3.401,1219 3.24,1220 7.429,1221 3.275,1222 3.29,1223 3.306,1224 3.257,1225 3.068,1226 7.352,1227 3.11,1228 2.899,1229 2.957,1230 2.819,1231 2.749,1232 4.861,1233 2.747,1234 2.874,1235 2.916,1236 2.791,1237 2.733,1238 4.72,1239 2.735,1240 2.856,1241 2.909,1242 2.745,1243 2.718,1244 4.492,1245 2.717,1246 0.152,1247 0.132,1248 0.225,1249 0.141,1250 0.105,1251 4.401,1252 0.137,1253 3.837,1254 0.036,1255 6.532,1256 0.347,1257 4.078,1258 0.108,1259 3.053,1260 3.967,1261 1.058,1262 10.063,1263 3.127,1264 1.939,1265 1.919,1266 2.024,1267 2.046,1268 1.109,1269 2.038,1270 1.873,1271 1.854,1272 1.954,1273 1.985,1274 1.037,1275 1.973,1276 1.814,1277 1.781,1278 1.927,1279 1.925,1280 0.944,1281 1.928,1282 1.314,1283 1.309,1284 1.391,1285 1.541,1286 0.384,1287 1.488,1288 1.162,1289 1.139,1290 1.294,1291 1.413,1292 0.286,1293 1.371,1294 0.866,1295 0.82,1296 1.123,1297 1.068,1298 0.181,1299 1.079,1300 0.861,1301 0.805,1302 1.112,1303 1.038,1304 0.161,1305 1.065,1306 0.823,1307 0.78,1308 1.019,1309 1.018,1310 0.035,1311 1.023,1312 4.078,1314 5.389,1316 6.897,1318 8.484,1320 10.108,1324 26.22,1329 2.472,1340 28.115,1341 67.918,1342 122.103,1343 162.911,1344 200.131,1345 206.131,1346 206.131,1347 82.237,1348 7.041,1349 76.13,1350 76.13,1351 18,1352 12.324,1353 4.459,1354 3.7,1355 47.08,1356 110,1357 101,1358 0.209,1359 173.282,1360 313.61,1361 414.568,1362 10721,1363 5.1,1364 19.389,1365 0.718,1366 0.51,1367 17.648,1368 13.779,1369 12.952,1370 0.447,1371 0.27,1372 7.695,1373 12.405,1374 7.586,1375 6.268,1376 12.148,1377 7.82,1378 11.65,1379 0.291,1380 0.138,1381 10.52,1382 5.537,1383 9.938,1384 0.195,1385 0.072,1386 8.949,1387 3.668,1388 7.367,1389 0.123,1390 0.039,1391 6.964,1392 2.323,1393 5.838,1394 0.08,1395 0.021,1396 5.379,1397 1.499,1398 0.331,1399 82.041,1400 0.23,1401 26.13,1402 0.563,1403 138,1404 607.407,1405 155.858,1406 532.171,1407 686.42,1408 490,1409 160,1410 471.294,1411 177.963,1412 465.271,1413 677.75,1414 437,1415 4}
{0 CHEMBL1630812,1 1.56,2 12.296,3 3.231,4 10.441,5 98.738,6 8.381,7 0.621,8 3.861,9 3.949,10 3.517,11 3.457,12 5.124,13 3.458,14 4.316,15 4.43,16 3.828,17 3.771,18 5.603,19 3.763,20 4.562,21 4.721,22 3.889,23 3.826,24 5.994,25 3.808,26 4.495,27 4.666,28 3.777,29 3.715,30 5.849,31 3.701,32 4.444,33 4.593,34 3.778,35 3.66,36 5.892,37 3.671,38 4.431,39 4.596,40 3.689,41 3.622,42 5.817,43 3.619,44 4.333,45 4.502,46 3.582,47 3.589,48 5.718,49 3.554,50 4.273,51 4.457,52 3.473,53 3.552,54 5.617,55 3.488,56 0.069,57 0.556,58 6.42,59 3.704,60 8.792,61 4.091,62 0.203,63 0.862,64 11.601,65 5.859,66 21.76,67 6.51,68 0.607,69 1.072,70 18.505,71 7.335,72 79.531,73 8.396,74 0.388,75 0.974,76 18.087,77 7.244,78 49.563,79 8.289,80 0.422,81 0.912,82 16.77,83 6.597,84 63.422,85 6.966,86 0.481,87 0.919,88 17.28,89 6.32,90 71.054,91 6.655,92 0.429,93 0.849,94 15.172,95 6.034,96 77.17,97 6.83,98 0.438,99 0.803,100 14.462,101 5.853,102 68.379,103 7.109,104 10,105 38,106 0.267,107 0.532,108 0.689,109 0.852,110 0.89,111 0.89,112 3.339,113 0.849,114 -2.84,115 -2.85,116 -2.76,121 48.8,127 1,144 12,145 1,146 2,147 1,148 1,159 2,160 1,176 10,180 5,183 1,185 2,187 9,191 3,192 7,195 1,197 2,200 4,205 1,206 9,211 1,214 1,219 12,222 1,224 2,227 3,232 8,235 1,237 2,239 4,243 1,244 3,247 1,249 2,251 8,255 2,261 1,264 10,268 2,269 1,274 1,277 9,281 1184,282 18.328,283 18.328,284 18.328,285 18.328,286 18.328,287 15.827,288 12.553,289 11.202,290 18.49,291 14.318,292 14.318,293 14.318,294 14.318,295 14.318,296 10.534,297 15.014,298 5.363,299 14.54,300 3.866,301 2.323,302 1.41,303 0.456,304 0.233,305 0.233,306 4.022,310 1,311 1,312 1,313 705,314 3.742,318 303.284,325 2.011,326 37.036,328 1,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 59,338 332,339 4.399,340 3.837,341 6.532,342 4.077,343 3.051,344 3.951,345 2.03,346 10.062,347 3.126,348 4.042,349 3.621,350 5.775,351 3.656,352 2.677,353 3.609,354 0.892,355 7.97,356 2.62,357 3.907,358 2.994,359 5.428,360 3.49,361 2.536,362 3.447,363 0.141,364 7.101,365 2.418,366 3.722,367 2.828,368 5.324,369 3.345,370 2.356,371 3.065,373 6.852,374 2.317,375 3.458,376 2.54,377 4.807,378 3.031,379 2.021,380 2.715,382 5.389,383 2.029,384 3.13,385 2.16,386 4.46,387 2.678,388 1.675,389 2.345,391 4.201,392 1.675,393 2.912,394 1.804,395 3.662,396 2.454,397 1.48,398 2.076,400 3.126,401 1.432,402 2.766,403 1.744,404 3.618,405 2.284,406 1.281,407 1.856,409 2.893,410 1.281,411 2.588,412 1.323,413 3.478,414 2.085,415 1.076,416 1.597,418 2.51,419 1.082,420 2.5,421 1.241,422 3.247,423 2,424 1,425 1.5,427 2.136,428 1,429 2.5,430 1.182,431 3.247,432 1.958,433 1,434 1.5,436 2.136,437 0.955,438 2.208,439 1,440 3.115,441 1.538,442 0.574,443 0.716,445 1.326,446 0.513,447 1.789,448 1,449 3.039,450 1.477,451 0.427,452 0.659,454 0.987,455 0.466,456 1.181,457 0.49,458 2.532,459 0.797,460 -0.187,461 -0.234,463 -0.479,464 -0.181,465 0.79,466 -0.017,467 2.236,468 0.373,469 -0.605,470 -0.788,472 -1.333,473 -0.577,474 12.633,475 0.468,476 0.541,477 0.02,478 40.25,479 1.491,480 23.5,481 0.87,482 16.75,483 0.62,484 15.778,485 0.584,486 27.567,487 0.641,488 31.028,489 1.149,490 8.456,491 0.313,492 4.675,493 0.173,494 0.079,496 0.277,501 0.658,502 1.105,503 0.673,504 0.972,505 0.554,506 0.852,507 0.839,508 1.227,509 0.879,510 1.132,511 0.675,512 1.041,513 0.961,514 0.969,515 0.997,516 0.968,517 0.885,518 0.979,519 1.184,520 1.052,521 0.947,522 1.036,523 1.131,524 0.96,525 1.483,526 1.083,527 1.024,528 1.013,529 1.666,530 0.939,531 1.558,532 0.97,533 1.139,534 0.894,535 1.627,536 0.911,537 1.111,538 0.946,539 1.079,540 0.958,541 1.13,542 0.999,543 0.742,544 0.938,545 1.035,546 0.962,547 0.724,548 1.039,549 4.5,550 0.103,551 2.444,552 1.625,553 1.244,554 0.681,555 0.469,556 0.288,557 0.16,558 0.148,559 9603,560 29789,561 2.057,562 37.2,564 14,566 1,567 1,572 1.698,573 1.952,574 3.6,575 -0.346,576 1,577 1,582 67.091,583 1.56,584 3.103,585 4.016,586 4.97,587 5.194,588 5.194,589 3.087,590 4.385,591 4.725,592 3.752,593 1316.89,594 8.186,595 17665.5,597 1,599 1,600 233.329,601 1.277,602 4.698,603 0.155,604 0.005,605 0.064,606 0.043,607 0.037,608 0.02,609 0.015,610 0.01,611 0.006,612 0.007,613 0.363,614 0.33,615 1,616 0.528,617 136.455,618 -0.04,619 -0.065,620 0.027,621 -0.022,622 -0.06,623 0.011,624 -0.023,625 -0.206,626 -0.078,627 -0.184,628 -0.041,629 -0.157,630 0.135,631 0.048,632 -0.034,633 -0.02,634 0.123,635 -0.053,636 -0.07,637 -0.091,638 0.058,639 -0.061,640 -0.006,641 0.009,642 -0.168,643 -0.115,644 -0.025,645 -0.055,646 -0.151,647 -0.02,648 -0.241,649 0.032,650 -0.117,651 0.053,652 -0.221,653 0.008,654 -0.039,655 0.048,656 -0.098,657 0.005,658 -0.01,659 -0.048,660 0.147,661 0.047,662 -0.06,663 0.017,664 0.127,665 -0.047,666 2.369,667 5.367,668 0.667,669 27.984,670 1.016,671 1.11,672 1.615,673 2.608,674 0.701,675 3.401,676 3.664,677 3.871,678 4.043,679 4.205,680 4.094,681 4.174,682 4.19,683 4.19,684 4.19,685 7.177,686 0.688,687 360.39,688 3.401,689 4.905,690 5.72,691 6.558,692 7.387,693 8.23,694 9.065,695 9.91,696 10.748,697 11.595,698 4.7,705 1,708 1,715 13,716 1,720 4,722 18,727 2,739 1,741 43,743 21,744 2,745 29,747 45,748 21,749 17,750 3,751 9,752 2,756 3,757 3,772 20,773 1,777 3,782 3,786 3,789 1,790 1,793 16,794 6,795 1,796 6,802 2,808 1,809 4,822 1,829 3,843 1,859 3,868 27,876 1,877 1,878 1,893 9.3,896 3,898 1,901 13.833,902 7.7,903 6.083,904 2.388,907 2.969,908 1.427,909 0.973,910 5.957,911 9.93,912 3.738,913 4.27,914 4.785,915 5.254,916 5.731,917 5.658,918 5.955,919 6.103,920 6.249,921 6.465,922 1,923 38,924 10.006,926 4.265,927 0.026,929 8.062,931 18.309,933 14.331,936 2.562,937 69.167,940 1,941 176.567,942 156.269,943 34.796,945 86.435,948 156.269,949 263.001,950 34.796,952 22.603,953 113.715,954 118.963,955 33.99,957 164.795,959 176.567,960 191.065,961 86.435,964 176.567,965 86.435,968 34.407,969 139.872,970 16.786,972 176.567,973 121.231,974 156.269,977 176.567,978 33.506,979 122.762,980 18.011,981 103.22,982 176.567,983 121.231,984 156.269,986 0.567,987 0.325,988 0.169,989 0.09,990 16,991 7,992 0.156,993 7,995 1,996 4.001,997 213.413,999 18,1000 122.382,1005 18.34,1006 8.77,1007 5.019,1009 121.231,1010 21.357,1011 3.893,1015 1.231,1017 18.011,1018 454.066,1019 41,1024 36.61,1028 -1.767,1031 43.698,1032 47.741,1034 0.288,1035 0.572,1036 0.74,1037 0.916,1038 0.957,1039 0.957,1040 4.924,1041 1.281,1042 5.666,1043 3.126,1044 4.344,1045 4.956,1046 2.272,1047 6.395,1048 4.321,1049 6.104,1050 1.076,1051 7.175,1052 2.893,1053 3.761,1054 4.511,1055 1.593,1056 7.13,1057 3.772,1058 7.377,1059 1,1060 8.787,1061 2.51,1062 5.855,1063 7.049,1064 3.266,1065 10.22,1066 5.82,1067 8.683,1068 1,1069 10.461,1070 2.136,1071 6.111,1072 7.402,1073 3.201,1074 11.808,1075 6.13,1076 10.02,1077 0.574,1078 12.177,1079 2.136,1080 7.641,1081 9.393,1082 4.494,1083 14.405,1084 7.622,1085 11.379,1086 0.427,1087 13.923,1088 1.326,1089 8.302,1090 10.141,1091 4.75,1092 16.359,1093 8.344,1094 12.756,1095 -0.187,1096 15.69,1097 0.987,1098 9.583,1099 11.868,1100 5.814,1101 18.781,1102 9.607,1103 3.051,1104 -0.605,1105 17.475,1106 -0.479,1107 10.453,1108 12.842,1109 6.248,1110 20.91,1111 10.536,1112 2.677,1113 10.062,1114 19.273,1115 -1.333,1116 11.621,1117 14.42,1118 7.174,1119 23.263,1120 11.706,1121 2.536,1122 7.97,1123 21.082,1124 3.951,1125 12.601,1126 15.534,1127 7.714,1128 25.479,1129 12.737,1130 2.356,1131 7.101,1132 22.9,1133 3.609,1134 13.722,1135 17.022,1136 8.557,1137 27.805,1138 13.875,1139 2.021,1140 6.852,1141 24.726,1142 3.447,1143 14.758,1144 18.225,1145 9.16,1146 30.065,1147 14.957,1148 1.675,1149 5.389,1150 26.559,1151 3.065,1152 15.861,1153 19.66,1154 9.952,1155 32.38,1156 16.085,1157 1.48,1158 4.201,1159 28.398,1160 2.715,1161 16.929,1162 20.92,1163 10.594,1164 34.663,1165 17.193,1166 9261,1167 16459,1168 19.474,1169 30.159,1170 43.083,1171 45.485,1172 43.324,1173 42.327,1174 42.308,1175 58.073,1176 6.127,1177 113.375,1178 41.83,1179 5.296,1180 5.837,1181 6.334,1182 5.136,1183 5.051,1184 6.951,1185 3.634,1186 17.217,1187 5.126,1188 11.261,1189 1.486,1190 1.568,1191 1.494,1192 1.46,1193 1.459,1194 2.003,1195 0.211,1196 3.909,1197 1.442,1198 3.986,1199 4.008,1200 3.944,1201 3.897,1202 7.497,1203 3.903,1204 3.886,1205 3.91,1206 3.821,1207 3.808,1208 7.429,1209 3.806,1210 3.843,1211 3.88,1212 3.785,1213 3.744,1214 7.352,1215 3.749,1216 3.542,1217 3.566,1218 3.48,1219 3.313,1220 4.87,1221 3.35,1222 3.373,1223 3.373,1224 3.319,1225 3.192,1226 4.847,1227 3.22,1228 2.985,1229 3.037,1230 2.883,1231 2.788,1232 4.714,1233 2.799,1234 2.872,1235 2.925,1236 2.779,1237 2.748,1238 4.31,1239 2.743,1240 2.854,1241 2.913,1242 2.687,1243 2.735,1244 3.892,1245 2.715,1246 0.152,1247 0.132,1248 0.225,1249 0.141,1250 0.105,1251 4.399,1252 0.136,1253 3.837,1254 0.07,1255 6.532,1256 0.347,1257 4.077,1258 0.108,1259 3.051,1260 3.951,1261 2.03,1262 10.062,1263 3.126,1264 1.929,1265 1.909,1266 2.02,1267 2.037,1268 1.104,1269 2.03,1270 1.872,1271 1.847,1272 1.997,1273 1.977,1274 1.045,1275 1.982,1276 1.819,1277 1.785,1278 1.934,1279 1.94,1280 0.945,1281 1.941,1282 1.43,1283 1.403,1284 1.604,1285 1.686,1286 0.734,1287 1.658,1288 1.276,1289 1.27,1290 1.373,1291 1.482,1292 0.371,1293 1.443,1294 0.926,1295 0.874,1296 1.181,1297 1.183,1298 0.225,1299 1.178,1300 0.886,1301 0.821,1302 1.174,1303 1.062,1304 0.218,1305 1.107,1306 0.864,1307 0.82,1308 1.116,1309 1.036,1310 0.177,1311 1.063,1312 4.078,1314 5.352,1316 6.821,1318 8.37,1320 9.958,1328 -0.172,1329 2.643,1330 5.372,1340 29.59,1341 67.091,1342 133.449,1343 172.7,1344 213.72,1345 223.329,1346 223.329,1347 60.394,1348 6.96,1349 85.36,1350 85.36,1351 18,1352 12.157,1353 4.459,1354 3.7,1355 47.165,1356 116,1357 114,1358 0.194,1359 184.474,1360 327.56,1361 441.877,1362 10251,1364 19.062,1365 0.706,1366 0.529,1367 19.062,1368 14.293,1369 13.131,1370 0.453,1371 0.283,1372 8.103,1373 12.672,1374 7.952,1375 6.613,1376 13.131,1377 8.211,1378 11.331,1379 0.298,1380 0.147,1381 11.331,1382 5.604,1383 9.318,1384 0.198,1385 0.077,1386 9.318,1387 3.625,1388 7.226,1389 0.129,1390 0.042,1391 7.226,1392 2.345,1393 5.641,1394 0.085,1395 0.023,1396 5.641,1397 1.491,1398 0.312,1399 82.289,1400 0.227,1401 26.501,1402 0.513,1403 134,1404 470.92,1405 147.739,1406 449.691,1407 595.5,1408 418,1409 152,1410 417.082,1411 165.962,1412 421.392,1413 608.5,1414 396,1415 4}
{0 CHEMBL1630813,1 1.56,2 12.148,3 3.166,4 10.025,5 99.262,6 8.381,7 0.621,8 3.861,9 3.949,10 3.517,11 3.457,12 5.135,13 3.458,14 4.315,15 4.434,16 3.838,17 3.782,18 5.601,19 3.776,20 4.532,21 4.678,22 3.936,23 3.868,24 5.969,25 3.856,26 4.548,27 4.709,28 3.837,29 3.782,30 5.956,31 3.769,32 4.503,33 4.675,34 3.765,35 3.718,36 5.9,37 3.706,38 4.387,39 4.547,40 3.696,41 3.684,42 5.766,43 3.654,44 4.331,45 4.492,46 3.602,47 3.661,48 5.696,49 3.609,50 4.326,51 4.524,52 3.485,53 3.556,54 5.649,55 3.496,56 0.069,57 0.556,58 6.42,59 3.704,60 7.139,61 4.091,62 0.228,63 0.861,64 11.993,65 5.866,66 23.65,67 6.539,68 0.403,69 1.056,70 16.641,71 7.22,72 59.746,73 8.24,74 0.416,75 1.045,76 18.334,77 7.361,78 52.413,79 8.154,80 0.475,81 0.978,82 18.804,83 7.138,84 77.077,85 7.879,86 0.489,87 0.882,88 15.81,89 6.427,90 65.082,91 7.36,92 0.353,93 0.854,94 14.169,95 6.3,96 62.818,97 7.368,98 0.366,99 0.857,100 15.577,101 6.106,102 61.44,103 7.48,104 18,105 39,106 0.267,107 0.553,108 0.717,109 0.86,110 0.879,111 0.879,112 3.339,113 0.842,114 -2.84,115 -2.85,116 -2.76,121 48.8,126 1,144 11,145 2,146 2,147 1,148 1,159 2,160 1,176 10,180 6,183 1,185 3,187 9,191 2,192 9,197 4,200 4,205 1,206 11,211 3,214 3,219 8,222 1,227 9,231 1,232 4,235 2,239 13,243 1,244 2,247 1,249 1,251 10,255 1,256 5,261 1,264 4,268 1,269 8,274 1,277 2,281 1140,282 18.284,283 18.284,284 18.284,285 18.284,286 18.284,287 15.873,288 13.581,289 10.857,290 18.51,291 14.207,292 14.207,293 14.207,294 14.207,295 14.207,296 10.452,297 15.932,298 5.061,299 14.425,300 3.866,301 2.2,302 1.246,303 0.407,304 0.297,305 0.297,306 4.02,310 1,311 1,312 1,313 693,314 3.674,318 295.726,325 1.868,326 37.331,328 1,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 59,338 328,339 4.4,340 3.837,341 6.532,342 4.078,343 3.053,344 3.954,345 1.058,346 10.063,347 3.127,348 4.207,349 3.572,350 6.062,351 3.849,352 2.851,353 3.775,354 0.86,355 8.739,356 2.841,357 4.006,358 2.994,359 5.754,360 3.583,361 2.597,362 3.594,364 7.836,365 2.561,366 3.737,367 2.824,368 5.323,369 3.344,370 2.385,371 3.109,373 6.817,374 2.277,375 3.566,376 2.546,377 5.209,378 3.148,379 2.164,380 2.934,382 6.401,383 2.117,384 3.165,385 2.16,386 4.513,387 2.711,388 1.709,389 2.4,391 4.319,392 1.706,393 2.852,394 1.989,395 4.049,396 2.38,397 1.38,398 1.948,400 3.378,401 1.371,402 2.711,403 1.797,404 3.647,405 2.208,406 1.198,407 1.727,409 2.845,410 1.2,411 2.586,412 1.323,413 3.475,414 2.083,415 1.075,416 1.595,418 2.496,419 1.08,420 2.5,421 1.182,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1.066,431 3.247,432 1.958,433 1,434 1.5,436 2.136,437 0.955,438 2.207,439 1,440 3.092,441 1.536,442 0.483,443 0.714,445 0.989,446 0.469,447 1.646,448 1,449 2.835,450 1.355,451 0.427,452 0.541,454 0.74,455 0.415,456 1.181,457 0.463,458 2.537,459 0.797,460 -0.191,461 -0.241,463 -0.47,464 -0.186,465 0.812,466 -0.124,467 2.236,468 0.4,469 -0.577,470 -0.758,472 -1.115,473 -0.552,474 12.633,475 0.468,476 0.592,477 0.022,478 40.25,479 1.491,480 23.5,481 0.87,482 16.75,483 0.62,484 16.057,485 0.595,486 27.567,487 0.641,488 31.826,489 1.179,490 8.451,491 0.313,492 4.629,493 0.171,494 0.119,496 0.317,501 0.658,502 1.105,503 0.673,504 0.972,505 0.555,506 0.852,507 0.854,508 1.102,509 0.822,510 0.989,511 0.667,512 0.918,513 0.914,514 1.121,515 0.916,516 1.06,517 0.803,518 0.998,519 1.257,520 1.11,521 1.057,522 1.078,523 1.313,524 1.03,525 1.378,526 0.909,527 1.021,528 0.877,529 1.677,530 0.869,531 1,532 0.876,533 0.988,534 0.886,535 1.297,536 0.929,537 0.832,538 1.046,539 1.049,540 1.088,541 0.896,542 1.118,543 0.851,544 0.993,545 1.035,546 1.015,547 0.794,548 1.044,549 5,550 0.132,551 3.111,552 1.813,553 1.436,554 0.861,555 0.407,556 0.347,557 0.246,558 0.191,559 9099,560 28877,561 2.035,562 37.2,564 14,566 1,567 1,572 1.699,573 1.906,574 3.577,575 -0.346,576 1,577 1,582 67.091,583 1.56,584 3.227,585 4.181,586 5.019,587 5.13,588 5.13,589 3.087,590 4.385,591 4.725,592 3.701,593 1298.88,594 8.191,595 17054.5,597 1,599 1,600 233.329,601 1.399,602 4.685,603 0.172,604 0.007,605 0.08,606 0.044,607 0.04,608 0.025,609 0.013,610 0.012,611 0.01,612 0.009,613 0.412,614 0.33,615 1,616 0.76,617 135.486,618 -0.04,619 -0.065,620 0.027,621 -0.022,622 -0.063,623 0.011,624 -0.036,625 -0.08,626 -0.012,627 -0.037,628 -0.03,629 -0.026,630 0.046,631 -0.105,632 -0.012,633 -0.11,634 0.137,635 -0.08,636 -0.128,637 -0.118,638 -0.08,639 -0.123,640 -0.07,641 -0.096,642 -0.166,643 0.063,644 0.001,645 0.093,646 -0.193,647 0.087,648 0.062,649 0.106,650 -0.025,651 0.086,652 -0.094,653 0.022,654 0.04,655 -0.071,656 -0.128,657 -0.11,658 0.044,659 -0.153,660 0.028,661 0.006,662 -0.035,663 -0.043,664 0.099,665 -0.043,666 2.366,667 5.407,668 0.667,669 26.041,670 1.016,671 1.11,672 1.615,673 2.608,674 0.701,675 3.401,676 3.689,677 3.932,678 4.094,679 4.277,680 4.248,681 4.304,682 4.29,683 4.344,684 4.369,685 6.91,686 0.688,687 360.39,688 3.401,689 4.92,690 5.753,691 6.603,692 7.448,693 8.303,694 9.153,695 10.009,696 10.861,697 11.719,698 4.7,705 1,708 1,715 12,716 1,720 5,722 18,727 2,729 1,739 1,741 43,743 21,744 2,745 29,747 45,748 21,749 17,750 4,751 8,752 3,756 3,757 3,772 20,773 1,777 3,782 3,786 3,789 1,790 1,793 16,794 6,795 1,796 6,802 2,808 1,809 4,822 1,829 3,859 3,864 1,868 27,877 1,878 1,893 9.3,896 3,898 1,901 14.167,902 8.117,903 6.111,904 2.353,907 3.084,908 1.438,909 0.973,910 5.626,911 10.125,912 3.738,913 4.297,914 4.862,915 5.336,916 5.833,917 5.892,918 6.171,919 6.284,920 6.565,921 6.886,922 1,923 41,924 9.997,926 4.273,927 0.026,929 8.068,931 18.267,933 14.335,936 2.568,937 69.333,940 1,941 176.567,942 156.269,943 34.796,945 86.435,948 156.269,949 263.001,950 34.796,951 10.883,952 18.011,953 104.239,954 118.963,955 37.175,957 164.795,959 176.567,960 191.065,961 86.435,964 176.567,965 86.435,968 29.815,969 144.465,970 16.786,972 176.567,973 121.231,974 156.269,977 176.567,978 32.1,979 124.169,980 18.011,981 103.22,982 176.567,983 121.231,984 156.269,986 0.574,987 0.342,988 0.172,989 0.09,990 17,991 8,992 0.133,993 6,995 1,996 3.905,997 218.648,999 18,1000 124.382,1005 18.34,1006 8.283,1007 4.393,1009 121.231,1010 19.086,1011 3.899,1015 1.758,1017 18.011,1018 454.066,1019 41,1024 36.993,1028 -1.721,1031 43.698,1032 47.741,1034 0.288,1035 0.595,1036 0.77,1037 0.925,1038 0.945,1039 0.945,1040 4.938,1041 1.198,1042 5.72,1043 3.378,1044 4.369,1045 4.984,1046 1.552,1047 6.488,1048 4.353,1049 6.137,1050 1.075,1051 7.261,1052 2.845,1053 3.892,1054 4.649,1056 7.314,1057 3.902,1058 7.428,1059 1,1060 8.901,1061 2.496,1062 5.927,1063 7.124,1064 1.527,1065 10.383,1066 5.907,1067 8.754,1068 1,1069 10.601,1070 2.275,1071 6.275,1072 7.583,1074 12.011,1075 6.298,1076 10.11,1077 0.483,1078 12.337,1079 2.136,1080 7.758,1081 9.514,1082 1.53,1083 14.594,1084 7.76,1085 11.486,1086 0.427,1087 14.099,1088 0.989,1089 8.483,1090 10.349,1092 16.558,1093 8.532,1094 12.879,1095 -0.191,1096 15.879,1097 0.74,1098 9.737,1099 12.027,1100 1.557,1101 18.966,1102 9.778,1103 3.053,1104 -0.577,1105 17.672,1106 -0.47,1107 10.645,1108 13.067,1110 21.089,1111 10.73,1112 2.851,1113 10.063,1114 19.475,1115 -1.115,1116 11.799,1117 14.61,1118 1.603,1119 23.428,1120 11.89,1121 2.597,1122 8.739,1123 21.287,1124 3.954,1125 12.799,1126 15.77,1128 25.632,1129 12.928,1130 2.385,1131 7.836,1132 23.106,1133 3.775,1134 13.912,1135 17.235,1136 1.663,1137 27.944,1138 14.057,1139 2.164,1140 6.817,1141 24.931,1142 3.594,1143 14.958,1144 18.469,1146 30.191,1147 15.137,1148 1.709,1149 6.401,1150 26.762,1151 3.109,1152 16.056,1153 19.888,1154 1.734,1155 32.493,1156 16.257,1157 1.38,1158 4.319,1159 28.596,1160 2.934,1161 17.126,1162 21.168,1164 34.764,1165 17.358,1166 8870,1167 15935,1168 19.186,1169 30.159,1170 43.411,1171 46.123,1172 44.373,1173 42.645,1174 42.644,1175 58.583,1176 3.837,1177 118.069,1178 42.24,1179 5.251,1180 5.837,1181 6.334,1182 5.116,1183 5.053,1184 6.954,1185 2.117,1186 17.22,1187 5.127,1188 13.323,1189 1.497,1190 1.59,1191 1.53,1192 1.471,1193 1.47,1194 2.02,1195 0.132,1196 4.071,1197 1.457,1198 4,1199 4.022,1200 3.957,1201 3.912,1202 7.497,1203 3.918,1204 3.904,1205 3.924,1206 3.857,1207 3.824,1208 7.429,1209 3.827,1210 3.834,1211 3.868,1212 3.774,1213 3.742,1214 7.352,1215 3.746,1216 3.439,1217 3.451,1218 3.399,1219 3.243,1220 4.87,1221 3.277,1222 3.333,1223 3.351,1224 3.265,1225 3.106,1226 4.847,1227 3.141,1228 3.144,1229 3.213,1230 2.96,1231 2.878,1232 4.713,1233 2.883,1234 2.872,1235 2.925,1236 2.783,1237 2.748,1238 4.343,1239 2.744,1240 2.854,1241 2.913,1242 2.687,1243 2.735,1244 3.893,1245 2.715,1246 0.152,1247 0.132,1248 0.225,1249 0.141,1250 0.105,1251 4.4,1252 0.136,1253 3.837,1254 0.036,1255 6.532,1256 0.347,1257 4.078,1258 0.108,1259 3.053,1260 3.954,1261 1.058,1262 10.063,1263 3.127,1264 1.94,1265 1.92,1266 2.03,1267 2.047,1268 1.113,1269 2.04,1270 1.881,1271 1.863,1272 1.981,1273 1.987,1274 1.062,1275 1.982,1276 1.814,1277 1.781,1278 1.931,1279 1.927,1280 0.944,1281 1.931,1282 1.322,1283 1.314,1284 1.575,1285 1.579,1286 0.577,1287 1.56,1288 1.237,1289 1.205,1290 1.39,1291 1.493,1292 0.386,1293 1.468,1294 1.089,1295 1.017,1296 1.292,1297 1.365,1298 0.293,1299 1.348,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.865,1307 0.82,1308 1.12,1309 1.036,1310 0.18,1311 1.064,1312 4.078,1314 5.371,1316 6.866,1318 8.441,1320 10.053,1322 1.545,1329 2.711,1330 5.062,1340 29.59,1341 67.091,1342 138.746,1343 179.766,1344 215.82,1345 220.574,1346 220.574,1347 61.887,1348 7.041,1349 85.36,1350 85.36,1351 18,1352 12.272,1353 4.459,1354 3.7,1355 47.12,1356 112,1357 122,1358 0.204,1359 184.474,1360 327.56,1361 441.877,1362 10811,1364 19.225,1365 0.712,1366 0.537,1367 19.225,1368 14.508,1369 13.08,1370 0.451,1371 0.281,1372 8.022,1373 12.597,1374 7.828,1375 6.534,1376 13.08,1377 8.138,1378 11.311,1379 0.29,1380 0.145,1381 11.311,1382 5.637,1383 9.768,1384 0.195,1385 0.077,1386 9.768,1387 3.839,1388 7.426,1389 0.126,1390 0.041,1391 7.426,1392 2.428,1393 5.7,1394 0.08,1395 0.022,1396 5.7,1397 1.555,1398 0.325,1399 82.188,1400 0.228,1401 26.257,1402 0.547,1403 136,1404 474.92,1405 149.075,1406 454.253,1407 603.37,1408 422,1409 157,1410 424.173,1411 170.298,1412 431.521,1413 624.04,1414 404,1415 4}
{0 CHEMBL1630814,1 1.662,2 10.885,3 3.847,4 14.799,5 97.604,6 9.354,7 0.643,8 3.768,9 3.85,10 3.518,11 3.431,12 5.061,13 3.422,14 4.209,15 4.31,16 3.878,17 3.774,18 5.546,19 3.753,20 4.476,21 4.622,22 3.96,23 3.847,24 5.941,25 3.817,26 4.44,27 4.596,28 3.876,29 3.708,30 5.899,31 3.699,32 4.346,33 4.473,34 3.863,35 3.623,36 5.915,37 3.642,38 4.261,39 4.393,40 3.663,41 3.635,42 5.666,43 3.606,44 4.257,45 4.42,46 3.646,47 3.645,48 5.631,49 3.576,50 4.207,51 4.39,52 3.545,53 3.544,54 5.553,55 3.457,56 0.075,57 0.481,58 4.282,59 3.003,60 10.084,61 3.234,62 0.164,63 0.75,64 7.586,65 4.864,66 21.407,67 5.325,68 0.424,69 0.969,70 16.472,71 6.908,72 66.934,73 7.603,74 0.431,75 0.923,76 16.756,77 6.728,78 64.395,79 6.927,80 0.555,81 0.805,82 15.754,83 5.876,84 85.809,85 5.252,86 0.392,87 0.763,88 12.281,89 5.419,90 63.68,91 5.154,92 0.354,93 0.773,94 12.374,95 5.9,96 67.97,97 6.769,98 0.316,99 0.73,100 15.018,101 5.844,102 52.605,103 7.045,104 17,105 38,106 0.29,107 0.521,108 0.713,109 0.893,110 0.923,111 0.923,112 3.304,113 0.867,114 -3.62,115 -3.59,116 -3.42,121 51.3,144 11,145 2,146 2,147 1,148 1,159 2,160 1,176 10,180 4,183 1,185 3,187 11,191 2,192 7,197 4,200 6,205 1,206 9,211 2,214 4,219 10,222 1,224 2,227 9,232 4,235 1,239 11,243 1,244 2,247 1,249 1,251 12,255 1,256 3,261 1,264 7,268 1,269 5,274 1,277 4,281 980,282 17.413,283 17.413,284 17.413,285 17.413,286 17.413,287 14.95,288 10.868,289 10.395,290 17.597,291 13.796,292 13.796,293 13.796,294 13.796,295 13.796,296 10.035,297 11.922,298 4.941,299 14.091,300 3.623,301 2.303,302 1.2,303 0.173,306 3.983,308 1,310 1,311 1,312 1,313 600,314 3.536,318 280.175,325 1.749,326 37.439,328 1,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 56.333,338 283,339 4.4,340 3.837,341 6.532,342 4.078,343 3.053,344 3.955,345 1.058,346 10.063,347 3.127,348 4.22,349 3.577,350 6.082,351 3.855,352 2.863,353 3.794,355 8.83,356 2.835,357 4.006,358 2.995,359 5.756,360 3.579,361 2.595,362 3.595,364 7.849,365 2.556,366 3.677,367 2.908,368 5.28,369 3.252,370 2.299,371 3.054,373 6.638,374 2.193,375 3.506,376 2.544,377 4.96,378 3.041,379 2.091,380 2.844,382 5.755,383 1.915,384 3.156,385 2.16,386 4.505,387 2.699,388 1.7,389 2.39,391 4.295,392 1.686,393 2.844,394 1.915,395 3.973,396 2.355,397 1.372,398 1.954,400 3.263,401 1.325,402 2.745,403 1.795,404 3.646,405 2.243,406 1.252,407 1.828,409 2.851,410 1.202,411 2.59,412 1.323,413 3.48,414 2.087,415 1.078,416 1.599,418 2.523,419 1.085,420 2.527,421 1.194,422 3.457,423 2.014,424 1,425 1.5,427 2.406,428 1.009,429 2.5,430 1.181,431 3.247,432 1.958,433 1,434 1.478,436 2.136,437 0.955,438 2.207,439 1,440 3.09,441 1.536,442 0.427,443 0.713,445 0.988,446 0.468,447 1.181,448 0.456,449 2.705,450 0.797,451 -0.197,452 -0.254,454 -0.506,455 -0.193,456 0.944,457 0.208,458 2.236,459 0.426,460 -0.408,461 -0.515,463 -0.906,464 -0.258,465 0.751,466 -0.125,467 2,468 0.266,469 -0.747,470 -1.041,472 -1.609,473 -0.739,474 12.514,475 0.481,476 0.63,477 0.024,478 39,479 1.5,480 23,481 0.885,482 16,483 0.615,484 15.742,485 0.605,486 25.886,487 0.664,488 30.042,489 1.155,490 8.039,491 0.309,492 4.503,493 0.173,494 0.137,496 0.32,501 0.574,502 1.022,503 0.544,504 0.806,505 0.544,506 0.76,507 0.625,508 1.199,509 0.686,510 1.014,511 0.631,512 0.98,513 0.891,514 1.111,515 0.981,516 1.07,517 0.81,518 1.028,519 1.327,520 1.055,521 0.908,522 0.971,523 1.35,524 0.92,525 1.563,526 0.915,527 0.959,528 0.923,529 1.767,530 0.86,531 1.36,532 0.92,533 1.028,534 0.924,535 1.487,536 1.015,537 0.743,538 0.945,539 0.824,540 0.953,541 0.79,542 1.052,543 0.678,544 1.056,545 1.124,546 1.131,547 0.538,548 1.143,549 5,550 0.103,551 2.889,552 1.938,553 1.476,554 0.688,555 0.409,556 0.316,557 0.226,558 0.186,559 8066,560 28168,561 2.037,562 33.3,564 11,566 1,567 1,572 1.69,573 1.902,574 3.455,575 -0.332,577 1,582 64.832,583 1.662,584 2.982,585 4.085,586 5.112,587 5.285,588 5.285,589 2.921,590 4.027,591 4.674,592 3.592,593 1167.43,594 8.092,595 14799.4,597 1,599 1,600 206.131,601 1.42,602 4.628,603 0.179,604 0.006,605 0.076,606 0.05,607 0.042,608 0.02,609 0.014,610 0.011,611 0.009,612 0.009,613 0.416,614 0.33,615 1,616 0.596,617 128.127,618 -0.037,619 -0.018,620 0.004,621 0.02,622 -0.062,623 0.028,624 0.031,625 -0.2,626 -0.029,627 -0.157,628 -0.018,629 -0.152,630 0.053,631 -0.108,632 -0.061,633 -0.128,634 0.112,635 -0.094,636 -0.134,637 -0.053,638 0.014,639 -0.007,640 -0.084,641 0.033,642 -0.12,643 0.078,644 -0.034,645 0.028,646 -0.175,647 0.027,648 -0.241,649 0.068,650 -0.236,651 0.004,652 -0.272,653 -0.122,654 0.083,655 0.008,656 0.007,657 0.015,658 0.065,659 -0.053,660 0.108,661 -0.099,662 -0.042,663 -0.118,664 0.169,665 -0.085,666 2.371,667 5.378,668 0.692,669 23.231,670 1.021,671 1.104,672 2.387,673 5.697,674 0.738,675 3.367,676 3.664,677 3.892,678 4.078,679 4.248,680 4.159,681 4.248,682 4.248,683 4.304,684 4.317,685 6.514,686 0.722,687 364.8,688 3.367,689 4.89,690 5.72,691 6.575,692 7.419,693 8.276,694 9.125,695 9.983,696 10.835,697 11.693,698 5.1,705 1,708 1,715 12,716 1,720 5,722 18,727 2,729 1,740 1,741 39,743 21,744 2,745 28,747 41,748 20,749 17,750 4,751 8,752 3,756 3,757 3,758 1,772 20,777 3,782 3,786 3,790 1,793 13,794 5,795 1,796 6,797 1,802 2,808 1,809 3,822 1,829 3,859 3,865 1,868 26,877 1,892 1,893 7.7,896 3,901 13.667,902 7.093,903 5.778,904 2.18,907 3.075,908 1.443,909 0.988,910 5.329,911 10.023,912 3.714,913 4.284,914 4.838,915 5.325,916 5.813,917 5.806,918 6.128,919 6.262,920 6.543,921 6.854,922 1,923 39,924 9.627,926 4.169,927 0.026,929 8.113,931 17.519,933 13.925,936 2.613,937 67.944,941 141.253,942 143.643,943 34.796,944 39.149,945 75.435,948 143.643,949 255.837,950 34.796,952 18.011,953 104.239,954 118.963,955 24.433,957 129.482,958 39.149,959 141.253,960 178.439,961 75.435,962 39.149,964 141.253,965 75.435,968 29.815,969 131.839,970 55.934,972 141.253,973 110.231,974 182.792,977 141.253,978 30.357,979 113.286,980 18.011,981 131.369,982 141.253,983 110.231,984 182.792,986 0.578,987 0.337,988 0.175,989 0.093,990 17,991 8,992 0.122,993 5,995 1,996 3.797,997 209.259,999 18,1000 122.211,1005 17.685,1006 7.834,1007 4.299,1009 110.231,1010 18.9,1011 3.891,1015 1.478,1017 18.011,1018 434.276,1019 40,1024 36.873,1028 -1.764,1031 39.811,1032 43.06,1034 0.315,1035 0.564,1036 0.773,1037 0.967,1038 1,1039 1,1040 4.916,1041 1.252,1042 5.694,1043 3.263,1044 4.344,1045 4.97,1046 1.176,1047 6.463,1048 4.315,1049 6.122,1050 1.078,1051 7.233,1052 2.851,1053 3.892,1054 4.649,1056 7.277,1057 3.852,1058 7.414,1059 1,1060 8.874,1061 2.523,1062 5.9,1063 7.113,1064 1.255,1065 10.365,1066 5.865,1067 8.74,1068 1,1069 10.574,1070 2.406,1071 6.256,1072 7.572,1074 11.988,1075 6.248,1076 10.096,1077 0.427,1078 12.311,1079 2.136,1080 7.734,1081 9.504,1082 1.338,1083 14.589,1084 7.721,1085 11.472,1086 -0.197,1087 14.074,1088 0.988,1089 8.465,1090 10.341,1092 16.553,1093 8.493,1094 12.866,1095 -0.408,1096 15.856,1097 -0.506,1098 9.719,1099 12.023,1100 1.422,1101 18.971,1102 9.747,1103 3.053,1104 -0.747,1105 17.652,1106 -0.906,1107 10.634,1108 13.067,1110 21.096,1111 10.702,1112 2.863,1113 10.063,1114 19.458,1115 -1.609,1116 11.79,1117 14.612,1118 1.51,1119 23.44,1120 11.867,1121 2.595,1122 8.83,1123 21.273,1124 3.955,1125 12.794,1126 15.777,1128 25.646,1129 12.908,1130 2.299,1131 7.849,1132 23.095,1133 3.794,1134 13.911,1135 17.243,1136 1.599,1137 27.96,1138 14.04,1139 2.091,1140 6.638,1141 24.923,1142 3.595,1143 14.96,1144 18.482,1146 30.208,1147 15.122,1148 1.7,1149 5.755,1150 26.756,1151 3.054,1152 16.06,1153 19.903,1154 1.69,1155 32.51,1156 16.244,1157 1.372,1158 4.295,1159 28.593,1160 2.844,1161 17.133,1162 21.186,1164 34.781,1165 17.347,1166 7840,1167 14776,1168 18.493,1169 28.801,1170 42.471,1171 44.891,1172 42.877,1173 41.738,1174 41.462,1175 57.405,1176 2.117,1177 115.195,1178 40.71,1179 5.25,1180 5.837,1181 6.334,1182 5.116,1183 5.053,1184 6.955,1185 2.117,1186 17.22,1187 5.127,1188 12.794,1189 1.517,1190 1.603,1191 1.531,1192 1.491,1193 1.481,1194 2.05,1195 0.076,1196 4.114,1197 1.454,1198 3.998,1199 4.02,1200 4.019,1201 3.915,1202 7.497,1203 3.92,1204 3.9,1205 3.921,1206 3.921,1207 3.835,1208 7.429,1209 3.832,1210 3.832,1211 3.866,1212 3.784,1213 3.742,1214 7.352,1215 3.746,1216 3.428,1217 3.435,1218 3.471,1219 3.242,1220 4.931,1221 3.275,1222 3.278,1223 3.296,1224 3.336,1225 3.082,1226 4.859,1227 3.109,1228 2.879,1229 2.922,1230 3.099,1231 2.794,1232 4.715,1233 2.768,1234 2.873,1235 2.914,1236 2.789,1237 2.749,1238 4.305,1239 2.745,1240 2.841,1241 2.895,1242 2.713,1243 2.72,1244 3.906,1245 2.711,1246 0.157,1247 0.137,1248 0.233,1249 0.146,1250 0.109,1251 4.4,1252 0.141,1253 3.837,1254 0.038,1255 6.532,1256 0.359,1257 4.078,1258 0.112,1259 3.053,1260 3.955,1261 1.058,1262 10.063,1263 3.127,1264 1.94,1265 1.92,1266 2.026,1267 2.043,1268 1.112,1269 2.038,1270 1.881,1271 1.863,1272 1.969,1273 1.974,1274 1.059,1275 1.974,1276 1.814,1277 1.781,1278 1.93,1279 1.919,1280 0.944,1281 1.928,1282 1.316,1283 1.31,1284 1.396,1285 1.536,1286 0.391,1287 1.49,1288 1.173,1289 1.149,1290 1.315,1291 1.407,1292 0.313,1293 1.376,1294 0.869,1295 0.824,1296 1.125,1297 1.038,1298 0.187,1299 1.069,1300 0.865,1301 0.82,1302 1.106,1303 1.026,1304 0.172,1305 1.06,1306 0.837,1307 0.789,1308 1.045,1309 0.996,1310 0.132,1311 1.027,1312 4.043,1314 5.342,1316 6.838,1318 8.415,1320 10.03,1323 5.884,1329 2.683,1340 28.176,1341 64.832,1342 116.303,1343 159.322,1344 199.376,1345 206.131,1346 206.131,1347 60.552,1348 6.948,1349 76.13,1350 76.13,1351 18,1352 12.246,1353 4.459,1354 3.7,1355 44.399,1356 103,1357 90,1358 0.212,1359 179.219,1360 316.68,1361 429.053,1362 9538,1363 2.6,1364 18.518,1365 0.712,1366 0.547,1367 19.018,1368 14.234,1369 12.542,1370 0.448,1371 0.289,1372 7.67,1373 11.907,1374 7.485,1375 6.208,1376 12.83,1377 8.093,1378 11.154,1379 0.294,1380 0.154,1381 11.562,1382 5.855,1383 9.276,1384 0.193,1385 0.079,1386 9.539,1387 3.808,1388 7.259,1389 0.125,1390 0.043,1391 7.512,1392 2.506,1393 5.654,1394 0.082,1395 0.023,1396 5.888,1397 1.6,1398 0.335,1399 81.02,1400 0.233,1401 25.293,1402 0.574,1403 132,1404 453.388,1405 157.716,1406 470.109,1407 614.39,1408 434,1409 152,1410 410.49,1411 172.399,1412 427.63,1413 620.09,1414 402,1415 4}
{0 CHEMBL1630815,1 1.542,2 12.964,3 3.201,4 10.246,5 103.811,6 8.14,7 0.6,8 3.92,9 4.013,10 3.551,11 3.511,12 5.165,13 3.505,14 4.388,15 4.517,16 3.867,17 3.841,18 5.631,19 3.824,20 4.614,21 4.77,22 3.941,23 3.934,24 5.994,25 3.905,26 4.632,27 4.813,28 3.863,29 3.863,30 5.958,31 3.825,32 4.597,33 4.778,34 3.81,35 3.78,36 5.973,37 3.758,38 4.496,39 4.679,40 3.698,41 3.719,42 5.796,43 3.687,44 4.382,45 4.543,46 3.648,47 3.719,48 5.75,49 3.655,50 4.433,51 4.648,52 3.545,53 3.67,54 5.667,55 3.588,56 0.056,57 0.597,58 7.408,59 4.069,60 8.131,61 4.672,62 0.213,63 0.932,64 13.855,65 6.511,66 25.498,67 7.61,68 0.437,69 1.148,70 19.259,71 7.919,72 72.274,73 9.286,74 0.35,75 1.133,76 21.073,77 8.506,78 49.754,79 10.324,80 0.46,81 1.076,82 21.269,83 7.873,84 76.978,85 9.117,86 0.459,87 0.982,88 19.302,89 7.071,90 74.066,91 8.157,92 0.447,93 0.899,94 15.39,95 6.727,96 71.166,97 8.233,98 0.342,99 0.945,100 18.218,101 7.222,102 64.184,103 9.408,104 18,105 40,106 0.261,107 0.569,108 0.741,109 0.873,110 0.881,111 0.881,112 3.374,113 0.86,114 -3.06,115 -3.06,116 -2.95,121 47.8,123 1,126 1,144 11,145 2,146 2,147 1,148 1,159 2,160 1,176 11,180 6,183 1,185 3,187 11,191 2,192 8,197 3,200 6,205 1,206 11,211 3,214 3,219 11,222 1,224 2,227 7,232 4,235 1,239 11,243 2,244 2,247 2,249 1,251 13,255 1,256 2,261 1,264 8,268 1,269 7,274 1,277 4,281 1310,282 18.938,283 18.938,284 18.938,285 18.938,286 18.938,287 16.465,288 16.477,289 11.333,290 19.161,291 14.729,292 14.729,293 14.729,294 14.729,295 14.729,296 10.904,297 19.969,298 5.324,299 14.945,300 3.982,301 2.162,302 1.148,303 0.364,304 0.321,305 0.321,306 4.055,310 1,311 1,312 1,313 767,314 3.808,318 313.62,325 1.969,326 37.387,328 1,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 61,338 363,339 4.399,340 3.837,341 6.532,342 4.077,343 3.051,344 3.951,345 1.987,346 10.062,347 3.126,348 4.082,349 3.628,350 5.778,351 3.721,352 2.731,353 3.652,354 0.86,355 8.006,356 2.701,357 4.016,358 2.994,359 5.573,360 3.598,361 2.616,362 3.603,363 0.324,364 7.565,365 2.57,366 3.737,367 2.872,368 5.366,369 3.37,370 2.39,371 3.075,373 6.908,374 2.331,375 3.542,376 2.565,377 5.15,378 3.152,379 2.178,380 2.86,382 6.357,383 2.114,384 3.296,385 2.447,386 4.662,387 2.863,388 1.858,389 2.533,391 4.957,392 1.848,393 3.109,394 2.16,395 4.431,396 2.652,397 1.642,398 2.305,400 4.157,401 1.651,402 2.764,403 1.8,404 3.654,405 2.281,406 1.276,407 1.851,409 2.892,410 1.278,411 2.588,412 1.323,413 3.478,414 2.085,415 1.076,416 1.597,418 2.508,419 1.082,420 2.5,421 1.192,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1.181,431 3.247,432 1.958,433 1,434 1.5,436 2.136,437 0.955,438 2.208,439 1,440 3.102,441 1.537,442 0.584,443 0.714,445 1.003,446 0.509,447 1.74,448 1,449 2.986,450 1.467,451 0.428,452 0.649,454 0.968,455 0.468,456 1.198,457 0.707,458 2.66,459 0.947,465 1.13,466 0.338,467 2.241,468 0.717,469 -0.294,470 -0.386,472 -0.647,473 -0.291,474 13.133,475 0.469,476 0.609,477 0.022,478 40.75,479 1.455,480 23.5,481 0.839,482 17.25,483 0.616,484 17.661,485 0.631,486 28.867,487 0.628,488 32.213,489 1.15,490 8.542,491 0.305,492 5.021,493 0.179,494 0.114,496 0.305,501 0.653,502 1.121,503 0.697,504 0.995,505 0.548,506 0.879,507 0.835,508 1.119,509 0.841,510 1.017,511 0.658,512 0.949,513 0.999,514 1.063,515 1.019,516 1.037,517 0.915,518 1.025,519 1.029,520 1.129,521 0.949,522 1.106,523 1.07,524 1.032,525 1.377,526 1.001,527 1.028,528 0.95,529 1.657,530 0.922,531 1.385,532 0.857,533 1.069,534 0.818,535 1.504,536 0.863,537 0.638,538 1.005,539 1.027,540 1.085,541 0.834,542 1.135,543 0.68,544 1,545 0.915,546 0.994,547 0.654,548 1,549 5.5,550 0.14,551 2.667,552 1.938,553 1.396,554 0.826,555 0.527,556 0.267,557 0.258,558 0.178,559 10392,560 31978,561 2.034,562 39.1,564 14,566 1,567 1,568 2,572 1.707,573 1.909,574 3.659,575 -0.358,576 1,577 1,582 70.918,583 1.542,584 3.362,585 4.376,586 5.159,587 5.203,588 5.203,589 3.128,590 4.28,591 4.777,592 3.798,593 1435.59,594 8.29,595 19704.5,597 1,599 1,600 254.084,601 1.379,602 4.74,603 0.183,604 0.007,605 0.067,606 0.047,607 0.038,608 0.024,609 0.016,610 0.009,611 0.01,612 0.008,613 0.408,614 0.33,615 1,616 0.744,617 143.191,618 -0.034,619 -0.063,620 0.029,621 -0.022,622 -0.051,623 0.011,624 -0.022,625 -0.09,626 -0.008,627 -0.048,628 -0.023,629 -0.034,630 -0.001,631 -0.036,632 -0.1,633 -0.083,634 0.073,635 -0.104,636 -0.025,637 -0.159,638 0.031,639 -0.13,640 0.024,641 -0.057,642 -0.142,643 -0.025,644 -0.005,645 0.013,646 -0.151,647 0.028,648 -0.188,649 0.133,650 -0.057,651 0.144,652 -0.19,653 0.086,654 0.243,655 -0.019,656 -0.114,657 -0.103,658 0.114,659 -0.175,660 0.095,661 -0.031,662 0.078,663 -0.001,664 0.131,665 0.03,666 2.359,667 5.42,668 0.643,669 29.128,670 1.013,671 1.112,672 1.834,673 3.363,674 0.694,675 3.434,676 3.714,677 3.932,678 4.111,679 4.277,680 4.22,681 4.29,682 4.29,683 4.277,684 4.344,685 7.356,686 0.676,687 374.42,688 3.434,689 4.949,690 5.771,691 6.619,692 7.454,693 8.305,694 9.145,695 9.998,696 10.841,697 11.694,698 4.3,705 1,708 1,715 12,716 1,720 5,722 18,727 2,739 1,741 46,743 21,744 2,745 30,747 48,748 22,749 17,750 4,751 8,752 2,756 3,757 3,770 1,772 20,773 2,777 3,782 3,786 3,789 1,790 1,793 18,794 6,795 1,796 6,802 2,808 1,809 4,822 1,829 3,843 1,859 3,864 1,868 28,876 1,877 1,878 1,893 8.7,896 3,898 1,901 14.667,902 8.617,903 6.333,904 2.54,907 3.051,908 1.43,909 0.969,910 6.18,911 10.142,912 3.761,913 4.311,914 4.838,915 5.326,916 5.811,917 5.808,918 6.095,919 6.232,920 6.348,921 6.694,922 0.889,923 41,924 10.376,926 4.41,927 0.026,929 8.03,931 19.084,933 15,936 2.53,937 70.833,940 1,941 200.109,942 158.803,943 34.796,945 86.435,948 158.803,949 286.543,950 34.796,951 10.883,952 20.545,953 104.239,954 118.963,955 37.175,957 188.338,959 200.109,960 193.6,961 86.435,964 200.109,965 86.435,968 32.349,969 144.465,970 16.786,972 200.109,973 121.231,974 158.803,977 200.109,978 34.634,979 124.169,980 18.011,981 103.22,982 200.109,983 121.231,984 158.803,986 0.571,987 0.333,988 0.172,989 0.09,990 17,991 8,992 0.146,993 7,995 1,996 4.035,997 226.39,999 18,1000 130.606,1005 19.311,1006 8.961,1007 5.055,1009 121.231,1010 19.72,1011 3.906,1015 2.265,1017 18.011,1018 480.143,1019 42,1024 36.951,1028 -1.599,1031 46.582,1032 51.156,1034 0.279,1035 0.609,1036 0.792,1037 0.934,1038 0.942,1039 0.942,1040 4.959,1041 1.276,1042 5.733,1043 4.157,1044 4.394,1045 4.997,1046 2.246,1047 6.482,1048 4.378,1049 6.152,1050 1.076,1051 7.258,1052 2.892,1053 3.892,1054 4.649,1055 1.593,1056 7.252,1057 3.902,1058 7.437,1059 1,1060 8.88,1061 2.508,1062 5.932,1063 7.116,1064 3.148,1065 10.319,1066 5.912,1067 8.754,1068 1,1069 10.559,1070 2.275,1071 6.236,1072 7.539,1073 3.168,1074 11.899,1075 6.257,1076 10.1,1077 0.584,1078 12.276,1079 2.136,1080 7.731,1081 9.478,1082 4.323,1083 14.484,1084 7.729,1085 11.465,1086 0.428,1087 14.019,1088 1.003,1089 8.417,1090 10.275,1091 4.654,1092 16.424,1093 8.463,1094 12.847,1096 15.782,1097 0.968,1098 9.677,1099 11.966,1100 5.603,1101 18.837,1102 9.715,1103 3.051,1104 -0.294,1105 17.56,1107 10.558,1108 12.974,1109 6.091,1110 20.954,1111 10.644,1112 2.731,1113 10.062,1114 19.352,1115 -0.647,1116 11.714,1117 14.527,1118 6.928,1119 23.3,1120 11.806,1121 2.616,1122 8.006,1123 21.154,1124 3.951,1125 12.697,1126 15.664,1127 7.5,1128 25.508,1129 12.832,1130 2.39,1131 7.565,1132 22.965,1133 3.652,1134 13.81,1135 17.136,1136 8.273,1137 27.829,1138 13.962,1139 2.178,1140 6.908,1141 24.785,1142 3.603,1143 14.845,1144 18.352,1145 8.894,1146 30.084,1147 15.037,1148 1.858,1149 6.357,1150 26.612,1151 3.075,1152 15.942,1153 19.776,1154 9.631,1155 32.395,1156 16.159,1157 1.642,1158 4.957,1159 28.445,1160 2.86,1161 17.006,1162 21.043,1163 10.279,1164 34.674,1165 17.259,1166 10108,1167 17872,1168 19.879,1169 31.921,1170 44.56,1171 47.073,1172 45.413,1173 43.691,1174 43.66,1175 59.582,1176 6.342,1177 119.585,1178 43.269,1179 5.274,1180 5.837,1181 6.334,1182 5.114,1183 5.051,1184 6.951,1185 3.497,1186 17.218,1187 5.126,1188 13.757,1189 1.485,1190 1.569,1191 1.514,1192 1.456,1193 1.455,1194 1.986,1195 0.211,1196 3.986,1197 1.442,1198 3.997,1199 4.02,1200 3.951,1201 3.91,1202 7.497,1203 3.915,1204 3.913,1205 3.935,1206 3.858,1207 3.841,1208 7.428,1209 3.84,1210 3.841,1211 3.877,1212 3.783,1213 3.744,1214 7.352,1215 3.749,1216 3.51,1217 3.534,1218 3.453,1219 3.303,1220 4.873,1221 3.334,1222 3.372,1223 3.377,1224 3.313,1225 3.197,1226 4.851,1227 3.221,1228 3.211,1229 3.276,1230 3.044,1231 2.933,1232 4.715,1233 2.946,1234 2.909,1235 2.985,1236 2.794,1237 2.756,1238 4.369,1239 2.751,1240 2.871,1241 2.925,1242 2.734,1243 2.746,1244 3.921,1245 2.734,1246 0.147,1247 0.128,1248 0.218,1249 0.136,1250 0.102,1251 4.399,1252 0.132,1253 3.837,1254 0.066,1255 6.532,1256 0.335,1257 4.077,1258 0.104,1259 3.051,1260 3.951,1261 1.987,1262 10.062,1263 3.126,1264 1.938,1265 1.917,1266 2.038,1267 2.045,1268 1.169,1269 2.041,1270 1.9,1271 1.879,1272 2.003,1273 1.998,1274 1.095,1275 1.999,1276 1.817,1277 1.784,1278 1.933,1279 1.936,1280 0.945,1281 1.938,1282 1.413,1283 1.385,1284 1.616,1285 1.655,1286 0.712,1287 1.634,1288 1.281,1289 1.273,1290 1.509,1291 1.505,1292 0.555,1293 1.499,1294 1.158,1295 1.082,1296 1.372,1297 1.444,1298 0.372,1299 1.428,1300 0.909,1301 0.841,1302 1.181,1303 1.121,1304 0.23,1305 1.146,1306 0.886,1307 0.821,1308 1.171,1309 1.062,1310 0.218,1311 1.107,1312 4.111,1314 5.398,1316 6.88,1318 8.442,1320 10.042,1322 1.578,1328 0.176,1329 2.744,1330 5.092,1340 31.116,1341 70.918,1342 154.646,1343 201.275,1344 237.329,1345 239.329,1346 239.329,1347 65.758,1348 7.092,1349 85.36,1350 85.36,1351 18,1352 12.252,1353 4.459,1354 3.7,1355 49.909,1356 123,1357 136,1358 0.194,1359 194.067,1360 344.86,1361 465.282,1362 11924,1364 19.933,1365 0.712,1366 0.543,1367 19.933,1368 15.216,1369 13.563,1370 0.452,1371 0.287,1372 8.479,1373 13.074,1374 8.263,1375 6.893,1376 13.563,1377 8.595,1378 11.781,1379 0.295,1380 0.151,1381 11.781,1382 6.027,1383 9.805,1384 0.196,1385 0.081,1386 9.805,1387 4.036,1388 7.652,1389 0.128,1390 0.044,1391 7.652,1392 2.617,1393 5.863,1394 0.083,1395 0.024,1396 5.863,1397 1.673,1398 0.312,1399 85.087,1400 0.224,1401 27.262,1402 0.512,1403 140,1404 478.92,1405 153.075,1406 458.383,1407 607.13,1408 426,1409 160,1410 424.173,1411 172.799,1412 431.793,1413 621.32,1414 404,1415 4}
{0 CHEMBL1630816,1 1.662,2 11.462,3 3.388,4 11.479,5 93.015,6 8.932,7 0.643,8 3.772,9 3.858,10 3.477,11 3.401,12 5.102,13 3.407,14 4.215,15 4.32,16 3.819,17 3.73,18 5.605,19 3.732,20 4.484,21 4.639,22 3.902,23 3.791,24 6.004,25 3.792,26 4.446,27 4.61,28 3.784,29 3.653,30 5.937,31 3.667,32 4.338,33 4.479,34 3.73,35 3.587,36 5.85,37 3.614,38 4.27,39 4.405,40 3.679,41 3.601,42 5.851,43 3.593,44 4.262,45 4.43,46 3.532,47 3.597,48 5.655,49 3.543,50 4.204,51 4.402,52 3.447,53 3.47,54 5.591,55 3.415,56 0.098,57 0.568,58 4.722,59 3.237,60 16.121,61 3.319,62 0.203,63 0.887,64 8.164,65 5.138,66 29.697,67 5.383,68 0.506,69 1.143,70 14.987,71 6.885,72 87.494,73 7.307,74 0.525,75 1.032,76 16.02,77 6.589,78 87.757,79 6.622,80 0.519,81 0.86,82 14.075,83 5.732,84 95.843,85 5.267,86 0.56,87 0.877,88 11.958,89 5.432,90 96.201,91 5.349,92 0.416,93 0.865,94 12.555,95 5.951,96 83.073,97 6.647,98 0.333,99 0.828,100 12.811,101 5.697,102 59.952,103 7.011,104 17,105 38,106 0.29,107 0.521,108 0.704,109 0.866,110 0.887,111 0.887,112 3.304,113 0.827,114 -3.51,115 -3.48,116 -3.32,121 51.3,144 11,145 2,146 2,147 1,148 1,159 2,160 1,176 10,180 4,183 1,185 3,187 9,191 2,192 7,197 4,200 4,205 1,206 10,211 3,214 3,219 8,222 1,227 9,232 4,235 1,239 13,243 1,244 2,247 1,249 1,251 10,255 1,256 3,261 1,264 4,268 1,269 6,274 1,277 2,281 992,282 17.413,283 17.413,284 17.413,285 17.413,286 17.413,287 14.95,288 10.895,289 10.359,290 17.523,291 13.779,292 13.779,293 13.779,294 13.779,295 13.779,296 10.029,297 11.943,298 4.922,299 13.932,300 3.623,301 2.303,302 1.252,303 0.327,304 0.205,305 0.205,306 3.983,310 1,311 1,312 1,313 632,314 3.536,318 281.75,325 1.769,326 43.243,328 1,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 57.5,338 298,339 4.4,340 3.837,341 6.532,342 4.078,343 3.053,344 3.954,345 1.058,346 10.063,347 3.127,348 4.201,349 3.572,350 6.06,351 3.844,352 2.845,353 3.766,355 8.729,356 2.836,357 4.002,358 2.994,359 5.754,360 3.577,361 2.589,362 3.593,364 7.831,365 2.558,366 3.699,367 2.884,368 5.265,369 3.282,370 2.32,371 3.082,373 6.583,374 2.224,375 3.547,376 2.546,377 5.001,378 3.114,379 2.137,380 2.912,382 5.93,383 2.065,384 3.162,385 2.16,386 4.51,387 2.707,388 1.706,389 2.398,391 4.311,392 1.701,393 2.838,394 1.97,395 4.017,396 2.361,397 1.361,398 1.936,400 3.315,401 1.352,402 2.698,403 1.796,404 3.646,405 2.185,406 1.172,407 1.703,409 2.836,410 1.175,411 2.586,412 1.323,413 3.474,414 2.082,415 1.074,416 1.594,418 2.495,419 1.08,420 2.5,421 1.182,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1,431 3.247,432 1.958,433 1,434 1.5,436 2.136,437 0.955,438 2.207,439 1,440 3.091,441 1.536,442 0.427,443 0.714,445 0.989,446 0.468,447 1.188,448 0.531,449 2.718,450 0.84,451 -0.107,452 -0.13,454 -0.261,455 -0.099,456 1.112,457 0.339,458 2.236,459 0.642,460 -0.335,461 -0.453,463 -0.752,464 -0.317,465 0.751,466 -0.125,467 2,468 0.266,469 -0.748,470 -1.055,472 -1.609,473 -0.741,474 12.086,475 0.465,476 0.63,477 0.024,478 39,479 1.5,480 23,481 0.885,482 16,483 0.615,484 14.941,485 0.575,486 26.314,487 0.675,488 30.685,489 1.18,490 8.17,491 0.314,492 4.372,493 0.168,494 0.106,496 0.331,499 1,501 0.557,502 0.92,503 0.614,504 0.883,505 0.537,506 0.796,507 0.627,508 1.101,509 0.771,510 1.112,511 0.627,512 1.027,513 0.926,514 1.06,515 0.95,516 1.056,517 0.866,518 1.016,519 1.242,520 0.94,521 1.052,522 0.998,523 1.242,524 0.964,525 1.357,526 0.747,527 1.042,528 0.824,529 1.469,530 0.829,531 0.943,532 0.736,533 1.061,534 0.919,535 1.07,536 1.008,537 0.74,538 0.846,539 1.069,540 1.039,541 0.783,542 1.137,543 0.564,544 0.993,545 0.882,546 1.106,547 0.502,548 1.101,549 5,550 0.124,551 3.111,552 1.813,553 1.396,554 0.799,555 0.367,556 0.347,557 0.246,558 0.191,559 8150,560 28776,561 2.037,562 33.3,564 11,566 1,567 1,572 1.689,573 1.902,574 3.503,575 -0.332,576 1,577 1,579 1,582 64.832,583 1.662,584 2.982,585 4.034,586 4.958,587 5.08,588 5.08,589 2.95,590 3.873,591 4.672,592 3.623,593 1177.59,594 8.087,595 14944.7,596 1,597 1,598 1,599 1,600 206.131,601 1.42,602 4.628,603 0.179,604 0.007,605 0.082,606 0.046,607 0.041,608 0.024,609 0.012,610 0.013,611 0.01,612 0.01,613 0.424,614 0.33,615 1,616 0.596,617 128.373,618 -0.032,619 -0.019,620 0.011,621 0.02,622 -0.054,623 0.03,624 0.018,625 -0.182,626 -0.057,627 -0.199,628 -0.014,629 -0.171,630 0.01,631 -0.08,632 -0.019,633 -0.106,634 0.054,635 -0.077,636 -0.156,637 -0.031,638 -0.041,639 -0.041,640 -0.118,641 -0.008,642 -0.227,643 0.036,644 -0.068,645 0.117,646 -0.231,647 0.087,648 0.062,649 0.142,650 -0.154,651 0.026,652 -0.016,653 -0.099,654 0.035,655 0.001,656 -0.128,657 -0.058,658 0.005,659 -0.127,660 0.139,661 -0.142,662 0.133,663 -0.113,664 0.178,665 -0.024,666 2.396,667 5.347,668 0.692,669 23.704,670 1.026,671 1.114,672 2.276,673 5.18,674 0.715,675 3.367,676 3.664,677 3.892,678 4.06,679 4.248,680 4.19,681 4.22,682 4.263,683 4.29,684 4.317,685 6.6,686 0.711,687 348.35,688 3.367,689 4.89,690 5.72,691 6.572,692 7.416,693 8.272,694 9.12,695 9.977,696 10.828,697 11.686,698 5.1,705 1,708 1,715 12,716 1,720 5,722 18,727 2,729 1,740 1,741 39,743 21,744 2,745 28,747 41,748 20,749 17,750 4,751 8,752 3,756 3,757 3,772 20,777 3,782 3,786 3,789 1,790 1,791 1,793 13,794 6,795 1,796 6,802 2,808 1,809 3,822 1,829 3,859 3,866 1,868 26,877 1,892 1,893 7.7,896 3,901 13.667,902 7.093,903 5.778,904 2.18,907 3.065,908 1.441,909 0.99,910 5.073,911 10.013,912 3.714,913 4.284,914 4.838,915 5.314,916 5.813,917 5.844,918 6.094,919 6.271,920 6.536,921 6.854,922 0.875,923 39,924 9.66,926 4.232,927 0.026,929 8.263,931 17.379,933 13.817,936 2.763,937 71.833,941 141.253,942 149.263,943 34.796,945 75.435,946 14.96,948 149.263,949 216.688,950 49.756,952 18.011,953 104.239,954 118.963,955 30.053,956 14.96,957 129.482,959 141.253,960 184.06,961 90.395,964 156.213,965 75.435,968 29.815,969 137.459,970 16.786,972 156.213,973 110.231,974 149.263,977 141.253,978 35.977,979 113.286,980 18.011,981 107.18,982 141.253,983 125.191,984 149.263,986 0.579,987 0.337,988 0.17,989 0.092,990 17,991 8,992 0.122,993 5,995 1,996 3.811,997 208.575,999 18,1000 118.211,1005 17.346,1006 7.604,1007 4.147,1009 125.191,1010 17.249,1011 3.872,1015 0.365,1017 18.011,1018 415.708,1019 40,1024 36.71,1028 -1.903,1031 40,1032 43.456,1034 0.315,1035 0.564,1036 0.763,1037 0.938,1038 0.961,1039 0.961,1040 4.916,1041 1.172,1042 5.694,1043 3.315,1044 4.344,1045 4.97,1046 1.176,1047 6.46,1048 4.331,1049 6.122,1050 1.074,1051 7.233,1052 2.836,1053 3.892,1054 4.649,1056 7.277,1057 3.889,1058 7.414,1059 1,1060 8.874,1061 2.495,1062 5.9,1063 7.113,1064 1.255,1065 10.353,1066 5.886,1067 8.74,1068 1,1069 10.572,1070 2.275,1071 6.256,1072 7.572,1074 11.978,1075 6.278,1076 10.095,1077 0.427,1078 12.308,1079 2.136,1080 7.731,1081 9.502,1082 1.338,1083 14.57,1084 7.74,1085 11.471,1086 -0.107,1087 14.07,1088 0.989,1089 8.459,1090 10.335,1092 16.535,1093 8.513,1094 12.864,1095 -0.335,1096 15.85,1097 -0.261,1098 9.712,1099 12.015,1100 1.422,1101 18.949,1102 9.761,1103 3.053,1104 -0.748,1105 17.645,1106 -0.752,1107 10.622,1108 13.052,1110 21.074,1111 10.715,1112 2.845,1113 10.063,1114 19.45,1115 -1.609,1116 11.777,1117 14.597,1118 1.51,1119 23.417,1120 11.877,1121 2.589,1122 8.729,1123 21.264,1124 3.954,1125 12.778,1126 15.755,1128 25.623,1129 12.916,1130 2.32,1131 7.831,1132 23.085,1133 3.766,1134 13.893,1135 17.222,1136 1.599,1137 27.937,1138 14.046,1139 2.137,1140 6.583,1141 24.912,1142 3.593,1143 14.939,1144 18.454,1146 30.186,1147 15.127,1148 1.706,1149 5.93,1150 26.744,1151 3.082,1152 16.039,1153 19.875,1154 1.69,1155 32.489,1156 16.248,1157 1.361,1158 4.311,1159 28.581,1160 2.912,1161 17.11,1162 21.154,1164 34.761,1165 17.35,1166 7920,1167 15004,1168 18.493,1169 27.881,1170 42.395,1171 44.766,1172 42.887,1173 41.536,1174 41.368,1175 57.3,1176 2.117,1177 114.981,1178 41.082,1179 5.25,1180 5.837,1181 6.334,1182 5.116,1183 5.053,1184 6.954,1185 2.117,1186 17.22,1187 5.127,1188 12.894,1189 1.514,1190 1.599,1191 1.532,1192 1.483,1193 1.477,1194 2.046,1195 0.076,1196 4.106,1197 1.467,1198 3.999,1199 4.021,1200 3.957,1201 3.911,1202 8.201,1203 3.918,1204 3.903,1205 3.926,1206 3.86,1207 3.823,1208 7.497,1209 3.826,1210 3.833,1211 3.868,1212 3.774,1213 3.742,1214 7.429,1215 3.746,1216 3.43,1217 3.438,1218 3.395,1219 3.241,1220 7.352,1221 3.274,1222 3.285,1223 3.303,1224 3.244,1225 3.069,1226 4.861,1227 3.107,1228 2.874,1229 2.925,1230 2.801,1231 2.749,1232 4.723,1233 2.747,1234 2.857,1235 2.915,1236 2.747,1237 2.735,1238 4.591,1239 2.717,1240 2.854,1241 2.909,1242 2.687,1243 2.718,1244 3.898,1245 2.715,1246 0.157,1247 0.137,1248 0.233,1249 0.146,1250 0.109,1251 4.4,1252 0.141,1253 3.837,1254 0.038,1255 6.532,1256 0.359,1257 4.078,1258 0.112,1259 3.053,1260 3.954,1261 1.058,1262 10.063,1263 3.127,1264 1.94,1265 1.919,1266 2.028,1267 2.046,1268 1.111,1269 2.039,1270 1.879,1271 1.858,1272 1.976,1273 1.984,1274 1.05,1275 1.979,1276 1.814,1277 1.781,1278 1.93,1279 1.925,1280 0.944,1281 1.93,1282 1.315,1283 1.309,1284 1.393,1285 1.54,1286 0.386,1287 1.49,1288 1.167,1289 1.142,1290 1.301,1291 1.413,1292 0.292,1293 1.374,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 0.866,1301 0.82,1302 1.12,1303 1.038,1304 0.18,1305 1.065,1306 0.829,1307 0.783,1308 1.045,1309 1.017,1310 0.1,1311 1.028,1312 4.043,1314 5.342,1316 6.838,1318 8.413,1320 10.025,1324 12.928,1329 2.611,1340 27.731,1341 64.832,1342 116.303,1343 157.322,1344 193.376,1345 198.131,1346 198.131,1347 66.712,1348 6.948,1349 76.13,1350 76.13,1351 18,1352 12.239,1353 4.459,1354 3.7,1355 44.431,1356 104,1357 104,1358 0.21,1359 172.084,1360 307.54,1361 411.645,1362 9538,1363 2.6,1364 18.518,1365 0.712,1366 0.518,1367 17.648,1368 13.478,1369 12.542,1370 0.448,1371 0.276,1372 7.615,1373 12.097,1374 7.486,1375 6.207,1376 12.148,1377 7.715,1378 11.142,1379 0.293,1380 0.143,1381 10.52,1382 5.415,1383 9.36,1384 0.195,1385 0.075,1386 8.949,1387 3.593,1388 7.116,1389 0.125,1390 0.04,1391 6.964,1392 2.287,1393 5.59,1394 0.081,1395 0.021,1396 5.379,1397 1.482,1398 0.332,1399 78.711,1400 0.233,1401 25.355,1402 0.565,1403 132,1404 513.296,1405 146.027,1406 470.044,1407 614.37,1408 434,1409 152,1410 426.961,1411 165.55,1412 427.494,1413 619.8,1414 402,1415 4}
{0 CHEMBL163362,1 1.296,2 5.714,3 2.406,4 5.791,5 57.439,6 6.653,7 0.375,8 3.434,9 3.566,10 2.945,11 3.018,12 4.338,13 2.969,14 4.02,15 4.218,16 3.289,17 3.432,18 4.857,19 3.353,20 4.296,21 4.549,22 3.286,23 3.545,24 5.059,25 3.423,26 4.236,27 4.518,28 2.96,29 3.384,30 4.952,31 3.218,32 3.977,33 4.272,34 2.618,35 3.137,36 4.61,37 2.944,38 3.654,39 3.93,40 2.209,41 2.859,42 4.281,43 2.636,44 3.421,45 3.743,46 1.526,47 2.45,48 3.951,49 2.149,50 2.85,51 3.248,52 0.463,53 1.614,54 3.178,55 1.228,56 0.029,57 0.419,58 6.489,59 2.642,60 3.883,61 3.807,62 0.109,63 0.722,64 12.284,65 4.505,66 8.544,67 6.649,68 0.126,69 0.888,70 16.595,71 5.802,72 12.56,73 8.772,74 0.142,75 0.8,76 15.858,77 5.344,78 13.891,79 8.159,80 0.086,81 0.584,82 12.076,83 4.635,84 8.93,85 6.853,86 0.042,87 0.414,88 8.509,89 3.679,90 5.895,91 5.288,92 0.033,93 0.3,94 6.819,95 2.9,96 5.254,97 4.212,98 0.024,99 0.145,100 3.906,101 1.531,102 3.066,103 2.291,105 22,106 0.255,107 0.585,108 0.776,109 0.861,110 0.875,111 0.875,112 2.737,113 1.001,114 -4.06,115 -4.01,116 -3.8,121 42.9,123 3,127 2,144 4,145 1,146 1,160 1,176 6,179 1,180 6,187 5,192 5,200 2,206 4,214 3,219 1,227 5,239 5,251 2,281 96,282 9.861,283 9.861,284 9.861,285 9.861,286 9.861,287 8.927,288 13.472,289 5.964,290 10.017,291 7.942,292 7.942,293 7.942,294 7.942,295 7.942,296 6.517,297 17.805,298 2.862,299 8.22,300 3.512,301 1.829,302 0.857,303 0.429,304 0.357,305 0.357,306 3.418,311 1,312 1,313 180,314 1.414,318 65.028,322 71.207,325 0.898,326 5.216,329 1,330 0.67,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.83,337 29,338 80,339 4.351,340 3.473,341 6.36,342 4,343 3.047,344 3.921,345 1.469,346 9.836,347 2.91,348 3.811,349 2.782,350 5.878,351 3.495,352 2.532,353 3.09,354 0.739,355 8.128,356 2.428,357 3.082,358 2.258,359 4.732,360 2.754,361 1.802,362 2.191,363 0.169,364 5.215,365 1.713,366 2.885,367 1.555,368 4,369 2.484,370 1.492,371 2.047,373 3.27,374 1.479,375 2.569,376 1.473,377 3.656,378 2.336,379 1.347,380 1.546,382 3.127,383 1.33,384 2.423,385 1.402,386 3.583,387 2.225,388 1.247,389 1.421,391 2.892,392 1.217,393 1.652,394 0.676,395 3,396 1.416,397 0.445,398 0.519,400 1.056,401 0.431,402 0.95,403 0.013,404 2.661,405 0.581,406 -0.379,407 -0.439,409 -1.028,410 -0.363,411 0.79,412 -0.222,413 2,414 0.526,415 -0.445,416 -0.527,418 -1.056,419 -0.431,420 0.457,421 -0.672,422 2,423 0.101,424 -0.879,425 -0.988,427 -2.107,428 -0.859,429 -0.036,430 -0.99,431 2,432 -0.193,433 -1.16,434 -1.451,436 -3.146,437 -1.117,438 -0.04,439 -1.035,440 1.268,441 -0.269,442 -1.247,443 -1.601,445 -3.27,446 -1.218,447 -0.5,448 -1.473,449 1.23,450 -0.852,451 -1.802,452 -2,454 -5.188,455 -1.707,456 -0.533,457 -1.569,458 1,459 -1,460 -2,461 -2.128,462 -0.594,463 -5.215,464 -1.87,465 -0.863,466 -1.811,467 0.323,468 -1.032,469 -2,470 -2.6,471 -0.756,472 -5.789,473 -1.944,474 6.8,475 0.486,476 0.239,477 0.017,478 17.25,479 1.232,480 8,481 0.571,482 9.25,483 0.661,484 9.72,485 0.694,486 14.8,487 0.529,488 8.276,489 0.591,490 3.094,491 0.221,492 3.839,493 0.274,496 0.279,501 0.878,502 1.366,503 0.859,504 1.101,505 0.718,506 1,507 1.162,508 1.14,509 0.985,510 1.018,511 0.827,512 0.992,513 1.305,514 1.112,515 1.008,516 0.988,517 1.08,518 0.976,519 1.554,520 0.95,521 1.156,522 0.959,523 1.485,524 1.014,525 0.933,526 0.806,527 0.992,528 0.916,529 0.997,530 0.951,531 0.471,532 0.997,533 1.109,534 1.208,535 0.896,536 1.21,537 0.286,538 0.968,539 1.023,540 1.174,541 0.861,542 1.161,543 0.17,544 0.574,545 0.606,546 0.696,547 0.492,548 0.688,549 2,551 1.333,552 0.5,553 0.889,554 0.111,555 0.078,559 1392,560 2528,561 2.246,562 50,563 2,564 8,568 2,569 2,572 1.511,573 2.211,574 2.607,575 -0.835,579 1,582 36.283,583 1.296,584 2.978,585 3.95,586 4.379,587 4.45,588 4.45,589 1.95,590 1.557,591 3.787,592 2.57,593 233.831,594 6.317,595 1762.32,597 1,600 134.606,601 0.863,602 3.781,603 0.125,605 0.061,606 0.024,607 0.063,608 0.011,609 0.013,613 0.297,614 1,615 1,617 51.401,618 0.095,619 -0.214,620 0.093,621 -0.057,622 0.165,623 0.005,624 0.098,625 -0.034,626 -0.006,627 -0.045,628 0.116,629 -0.036,630 -0.079,631 -0.095,632 -0.026,633 -0.047,634 0.018,635 -0.035,636 -0.258,637 0.041,638 -0.169,639 -0.045,640 -0.223,641 -0.09,642 -0.105,643 0.101,644 -0.036,645 0.048,646 -0.109,647 0.018,648 -0.042,649 -0.129,650 -0.192,651 -0.197,652 -0.193,653 -0.205,654 0.072,655 -0.187,656 -0.102,657 -0.186,658 -0.127,659 -0.163,660 0.267,661 0.095,662 0.348,663 0.244,664 0.223,665 0.292,666 0.486,667 1.71,668 1,669 5.878,670 0.982,671 1.125,672 2.835,673 8.035,674 0.664,675 2.833,676 3.135,677 3.434,678 3.714,679 4.007,680 3.97,681 4.043,682 4.111,683 4.111,684 3.611,685 3.447,686 0.614,687 186.28,688 2.833,689 4.344,690 5.198,691 6.071,692 6.944,693 7.823,694 8.702,695 9.582,696 10.463,697 11.344,698 7.1,701 1,707 1,715 4,720 2,722 6,741 28,743 7,744 1,745 16,747 30,748 12,749 6,750 2,751 4,752 1,756 3,757 6,767 3,770 3,772 7,773 5,777 1,785 1,786 1,790 1,793 14,794 2,796 2,802 2,804 1,808 0.333,829 3,833 2,855 1,859 1,868 14,876 5,881 1,901 6.333,902 4.983,903 3.056,904 1.913,907 1.67,908 1.268,909 1.027,910 1.879,911 7.91,912 3.045,913 3.57,914 4.107,915 4.634,916 5.171,917 5.29,918 5.587,919 5.868,920 6.065,921 5.681,922 0.75,923 21,924 5.2,925 0.002,926 2.214,927 0.026,929 7.321,931 10.519,933 9.057,936 1.821,937 25.5,938 0.017,941 164.795,942 57.99,943 19.91,948 57.99,949 164.795,950 19.91,952 11.815,953 37.905,954 2.328,955 25.852,957 164.795,959 164.795,960 77.9,964 141.253,965 23.542,968 31.725,969 46.175,972 164.795,973 19.91,974 57.99,977 164.795,978 20.085,979 41.029,981 16.786,982 164.795,983 19.91,984 57.99,986 0.573,987 0.34,988 0.195,989 0.114,990 13,991 4,994 2,995 1.286,996 2.727,997 94.819,998 0.286,999 14,1000 53.303,1005 8.189,1006 3.213,1007 1.395,1009 19.91,1010 8.475,1015 2.554,1018 242.696,1019 20,1027 4.71,1028 1.301,1031 27.505,1032 31.488,1034 0.27,1035 0.619,1036 0.822,1037 0.911,1038 0.926,1039 0.926,1040 4.27,1041 -0.379,1042 5.153,1043 1.056,1044 3.807,1045 4.248,1046 1.743,1047 5.943,1048 3.735,1049 5.426,1050 -0.445,1051 6.686,1052 -1.028,1053 3.219,1054 3.829,1055 1.048,1056 6.763,1057 3.074,1058 6.707,1059 -0.879,1060 8.323,1061 -1.056,1062 5.361,1063 6.318,1064 2.018,1065 9.884,1066 5.202,1067 8.023,1068 -1.16,1069 10.023,1070 -2.107,1071 5.638,1072 6.751,1073 1.886,1074 11.549,1075 5.397,1076 9.376,1077 -1.247,1078 11.764,1079 -3.146,1080 7.21,1081 8.688,1082 2.535,1083 14.144,1084 6.955,1085 10.753,1086 -1.802,1087 13.532,1088 -3.27,1089 7.918,1090 9.547,1091 2.674,1092 16.149,1093 7.588,1094 12.15,1095 -2,1096 15.317,1097 -5.188,1098 9.227,1099 11.217,1100 3.183,1101 18.55,1102 8.875,1103 3.047,1104 -2,1105 17.115,1106 -5.215,1107 10.144,1108 12.3,1109 3.452,1110 20.702,1111 9.727,1112 2.532,1113 9.836,1114 18.922,1115 -5.789,1116 11.336,1117 13.833,1118 3.896,1119 23.027,1120 10.888,1121 1.802,1122 8.128,1123 20.735,1124 3.921,1125 12.353,1126 15.038,1127 4.225,1128 25.245,1129 11.847,1130 1.492,1131 5.215,1132 22.554,1133 3.09,1134 13.494,1135 16.497,1136 4.638,1137 27.542,1138 12.95,1139 1.347,1140 3.27,1141 24.376,1142 2.191,1143 14.56,1144 17.771,1145 4.996,1146 29.792,1147 13.962,1148 1.247,1149 3.127,1150 26.201,1151 2.047,1152 15.68,1153 19.188,1154 5.395,1155 32.077,1156 15.042,1157 0.445,1158 2.892,1159 28.028,1160 1.546,1161 16.768,1162 20.501,1163 5.767,1164 34.343,1165 16.08,1166 1338,1167 1867,1168 11.326,1169 18.58,1170 24.048,1171 23.86,1172 23.919,1173 23.856,1174 23.825,1175 29.471,1176 4.754,1177 67.047,1178 23.018,1179 5.351,1180 5.473,1181 6.051,1182 5.072,1183 5.047,1184 6.921,1185 2.496,1186 16.561,1187 4.91,1189 1.503,1190 1.491,1191 1.495,1192 1.491,1193 1.489,1194 1.842,1195 0.297,1196 4.19,1197 1.439,1198 4.014,1199 4.058,1200 3.955,1201 3.913,1202 4.869,1203 3.917,1204 3.725,1205 3.778,1206 3.607,1207 3.612,1208 4.423,1209 3.603,1210 3.234,1211 3.313,1212 3.083,1213 3.072,1214 3.971,1215 3.065,1216 3.156,1217 3.236,1218 3.006,1219 2.983,1220 3.777,1221 2.977,1222 2.886,1223 2.965,1224 2.702,1225 2.741,1226 3.503,1227 2.723,1228 2.631,1229 2.716,1230 2.479,1231 2.471,1232 3.252,1233 2.465,1234 2.465,1235 2.573,1236 2.22,1237 2.233,1238 3.099,1239 2.214,1240 2.048,1241 2.196,1242 1.676,1243 1.732,1244 2.525,1245 1.699,1246 0.272,1247 0.217,1248 0.398,1249 0.25,1250 0.19,1251 4.351,1252 0.245,1253 3.473,1254 0.092,1255 6.36,1256 0.615,1257 4,1258 0.182,1259 3.047,1260 3.921,1261 1.469,1262 9.836,1263 2.91,1264 1.97,1265 1.934,1266 2.091,1267 2.101,1268 1.377,1269 2.1,1270 1.734,1271 1.68,1272 1.938,1273 1.869,1274 1.138,1275 1.895,1276 1.23,1277 1.158,1278 1.509,1279 1.444,1280 0.773,1281 1.471,1282 1.153,1283 1.077,1284 1.441,1285 1.366,1286 0.658,1287 1.394,1288 0.903,1289 0.832,1290 1.177,1291 1.103,1292 0.311,1293 1.136,1294 0.646,1295 0.565,1296 1.021,1297 0.882,1298 0.165,1299 0.934,1300 0.474,1301 0.37,1302 0.829,1303 0.744,1305 0.78,1306 0.075,1308 0.67,1309 0.447,1311 0.531,1312 3.497,1314 4.796,1316 6.33,1318 7.969,1320 9.657,1328 6.037,1333 2.422,1340 17.204,1341 36.283,1342 83.387,1343 110.606,1344 122.606,1345 124.606,1346 124.606,1347 11.816,1348 6.24,1349 15.6,1350 15.6,1351 18,1352 11.879,1353 3,1354 2.322,1355 18.117,1356 33,1357 16,1358 0.328,1359 105.577,1360 179.62,1361 249.369,1362 3516,1364 9.38,1365 0.67,1366 0.589,1367 9.38,1368 8.239,1369 6.933,1370 0.433,1371 0.334,1372 5.294,1373 6.775,1374 5.186,1375 4.277,1376 6.933,1377 5.338,1378 6.081,1379 0.276,1380 0.183,1381 6.081,1382 4.035,1383 5.344,1384 0.178,1385 0.102,1386 5.344,1387 3.046,1388 4.588,1389 0.115,1390 0.057,1391 4.588,1392 2.268,1393 4.052,1394 0.075,1395 0.032,1396 4.052,1397 1.747,1398 0.476,1399 42.579,1400 0.297,1401 13.814,1402 1.009,1403 76,1404 161.29,1405 80.524,1406 161.329,1407 232.65,1408 154,1409 90,1410 180.634,1411 95.329,1412 184.086,1413 271.62,1414 175,1415 5.437}
{0 CHEMBL164,1 1.535,2 7.957,3 1.236,4 1.529,5 77.122,6 9.644,7 0.48,8 3.694,9 3.725,10 3.401,11 3.163,12 5.177,13 3.243,14 4.062,15 4.089,16 3.832,17 3.541,18 5.574,19 3.626,20 4.408,21 4.449,22 4.036,23 3.658,24 6.141,25 3.761,26 4.487,27 4.574,28 3.964,29 3.571,30 6.235,31 3.666,32 4.357,33 4.454,34 3.72,35 3.447,36 5.97,37 3.516,38 4.208,39 4.315,40 3.623,41 3.301,42 5.93,43 3.37,44 4.071,45 4.17,46 3.493,47 3.138,48 5.924,49 3.213,50 3.931,51 4.045,52 3.123,53 2.881,54 5.567,55 2.945,56 0.429,57 0.401,58 4.409,59 3.075,60 66.952,61 1.925,62 0.475,63 0.604,64 4.636,65 4.687,66 69.557,67 3.565,68 1.049,69 0.787,70 9.407,71 6.074,72 155.906,73 4.459,74 1.353,75 0.818,76 14.638,77 6.447,78 185.282,79 5.505,80 1.166,81 0.721,82 13.269,83 5.685,84 165.961,85 4.445,86 1.002,87 0.625,88 11.867,89 4.991,90 158.573,91 4.58,92 0.882,93 0.539,94 9.852,95 4.298,96 148.856,97 3.921,98 0.772,99 0.455,100 9.201,101 3.608,102 131.117,103 2.744,104 50,105 38,106 0.283,107 0.558,108 0.7,109 0.809,110 0.874,111 0.874,112 3.19,113 0.752,114 -0.71,115 -0.83,116 -0.95,121 45.5,140 2,144 4,145 2,146 6,159 1,176 2,180 4,185 6,187 4,192 2,195 2,196 2,197 6,205 1,206 4,209 3,210 2,211 7,214 2,219 2,222 2,223 1,224 2,227 4,235 2,236 2,237 2,239 1,247 2,248 2,249 8,251 2,259 1,261 2,273 4,274 2,281 644,282 14.723,283 14.723,284 14.723,285 14.723,286 14.723,287 12.685,288 15.348,289 8.135,290 14.993,291 12.238,292 12.238,293 12.238,294 12.238,295 12.238,296 9.157,297 17.67,298 3.82,299 12.783,300 3.51,301 2.016,302 1.246,303 0.655,304 0.303,305 0.303,306 3.858,311 1,312 1,313 385,314 2.345,318 175.63,322 93.859,325 1.183,326 56.92,329 0.75,330 0.83,331 0.83,332 0.2,334 0.67,335 0.5,336 0.54,337 54,338 183,339 4.651,340 3.757,341 6.926,342 4.27,343 3.295,344 4.304,345 0.86,346 11.556,347 3.211,348 4.387,349 3.247,350 6.444,351 3.969,352 3.003,353 4.086,355 9.884,356 2.894,357 4.092,358 2.991,359 6.202,360 3.642,361 2.689,362 3.6,364 8.853,365 2.551,366 3.637,367 2.926,368 5.562,369 3.28,370 2.301,371 2.963,373 7.021,374 2.236,375 3.289,376 2.338,377 5.068,378 2.889,379 1.958,380 2.533,382 5.82,383 1.813,384 3.264,385 2.252,386 4.994,387 2.851,388 1.899,389 2.503,391 5.596,392 1.792,393 3.232,394 2.232,395 4.879,396 2.816,397 1.879,398 2.481,400 5.225,401 1.749,402 2.813,403 1.902,404 4.478,405 2.318,406 1.355,407 1.818,409 3.939,410 1.286,411 1.733,412 1.315,413 3.441,414 1.408,415 0.509,416 0.573,418 1.232,419 0.448,420 1.507,421 1.037,422 3.08,423 1.16,424 0.275,425 0.313,427 0.66,428 0.239,429 1.296,430 0.524,431 2.886,432 0.903,433 -0.083,434 -0.111,436 -0.222,437 -0.08,438 1,439 -0.047,440 2.653,441 0.588,442 -0.347,443 -0.445,445 -0.898,446 -0.32,447 0.97,448 -0.047,449 2.627,450 0.577,451 -0.357,452 -0.448,454 -0.976,455 -0.328,456 0.529,457 -0.082,458 2.225,459 0.244,460 -0.627,461 -0.7,463 -1.509,464 -0.54,465 0.179,466 -0.586,467 2,468 -0.133,469 -1.047,470 -1.223,472 -2.667,473 -0.94,474 10.167,475 0.442,476 0.881,477 0.038,478 32.75,479 1.424,480 18,481 0.783,482 14.75,483 0.641,484 14.76,485 0.642,486 25.233,487 0.765,488 27.521,489 1.197,490 6.776,491 0.295,492 4.014,493 0.175,494 0.23,496 0.541,501 1.117,502 0.729,503 0.783,504 0.684,505 1.099,506 0.579,507 0.794,508 1.206,509 0.529,510 1.163,511 0.703,512 0.856,513 0.947,514 1.185,515 0.849,516 1.169,517 0.882,518 1.029,519 0.947,520 1.016,521 0.937,522 1.014,523 0.893,524 0.985,525 1.166,526 0.949,527 1.203,528 0.956,529 1.196,530 1.048,531 0.897,532 0.961,533 0.952,534 0.968,535 0.965,536 0.985,537 0.872,538 1.073,539 0.975,540 1.086,541 0.876,542 1.093,543 1.381,544 1.11,545 1.474,546 1.127,547 1.503,548 1.273,549 6,550 0.012,551 3.556,552 2.688,553 2.324,554 0.986,555 0.771,556 0.339,557 0.267,558 0.132,559 4701,560 20449,561 1.966,562 30.3,564 4,567 6,572 1.663,573 1.747,574 2.998,575 3.666,577 1,579 1,582 50.642,583 1.535,584 3.028,585 3.798,586 4.39,587 4.741,588 4.741,589 2.455,590 4.089,591 4.499,592 3.124,593 790.386,594 7.774,595 8582.83,596 1,597 1,600 166.465,601 1.51,602 4.398,603 0.24,604 0.004,605 0.094,606 0.063,607 0.061,608 0.033,609 0.029,610 0.015,611 0.018,612 0.012,613 0.567,614 0.33,615 0.88,616 0.719,617 104.578,618 -0.306,619 0.319,620 -0.152,621 0.336,622 -0.318,623 0.245,624 -0.096,625 -0.155,626 0.053,627 -0.133,628 -0.054,629 -0.014,630 -0.013,631 -0.183,632 -0.081,633 -0.192,634 -0.005,635 -0.185,636 0.071,637 -0.052,638 0.043,639 -0.055,640 0.066,641 -0.036,642 -0.157,643 0.014,644 -0.214,645 0.004,646 -0.197,647 -0.087,648 0.072,649 0.001,650 0.068,651 0.001,652 0.041,653 0.02,654 0.117,655 -0.115,656 0.038,657 -0.125,658 0.194,659 -0.106,660 -0.314,661 -0.174,662 -0.392,663 -0.187,664 -0.345,665 -0.283,666 2.634,667 5.165,668 0.696,669 14.87,670 1.062,671 1.114,672 -0.515,673 0.266,674 0.68,675 3.258,676 3.664,677 3.97,678 4.248,679 4.489,680 4.635,681 4.71,682 4.771,683 4.89,684 4.787,685 4.939,686 0.708,687 318.25,688 3.258,689 4.844,690 5.727,691 6.642,692 7.541,693 8.46,694 9.363,695 10.284,696 11.191,697 12.111,715 4,720 8,722 12,727 1,738 5,739 1,741 33,743 14,744 2,745 25,747 35,748 15,749 12,750 8,751 4,752 3,756 3,757 4,772 15,777 2,782 1,786 3,789 1,790 1,793 10,794 8,795 6,796 8,808 0.667,809 8,829 3,833 1,849 2,857 1,859 2,868 23,875 6,878 1,893 24.2,895 6,896 1,898 1,901 13.167,902 5.617,903 4.889,904 1.592,907 2.682,908 1.379,909 0.841,910 3.595,911 9.752,912 3.526,913 4.22,914 4.824,915 5.395,916 5.931,917 6.271,918 6.558,919 6.9,920 7.267,921 7.471,922 1,923 43,924 8.608,926 4.106,927 0.026,929 8.667,931 14.711,933 12.2,936 3.167,937 72.833,941 47.084,942 59.896,945 292.245,948 59.896,949 339.329,953 37.905,954 291.622,955 22.614,957 47.084,959 47.084,960 59.896,961 292.245,964 47.084,965 292.245,969 54.653,970 5.243,972 47.084,973 292.245,974 59.896,977 47.084,978 21.991,979 37.905,981 292.245,982 47.084,983 292.245,984 59.896,986 0.611,987 0.372,988 0.195,989 0.103,990 20,991 11,992 0.029,993 1,994 1,995 1.125,996 3.246,997 194.765,998 0.125,999 16,1000 98.042,1005 15.479,1006 5.342,1007 2.463,1009 292.245,1010 3.888,1015 -3.757,1017 256.1,1018 399.226,1019 33,1024 12.165,1028 -2.258,1031 35.036,1032 36.751,1034 0.304,1035 0.6,1036 0.753,1037 0.87,1038 0.94,1039 0.94,1040 4.812,1041 1.355,1042 5.778,1043 5.225,1044 4.344,1045 4.905,1046 0.908,1047 6.671,1048 4.258,1049 6.088,1050 0.509,1051 7.404,1052 3.939,1053 4.205,1054 4.977,1056 7.706,1057 4.071,1058 7.448,1059 0.275,1060 9.125,1061 1.232,1062 6.033,1063 7.19,1064 0.739,1065 10.843,1066 5.886,1067 8.839,1068 -0.083,1069 10.895,1070 0.66,1071 6.621,1072 7.974,1074 12.64,1075 6.43,1076 10.255,1077 -0.347,1078 12.696,1079 -0.222,1080 8.01,1081 9.739,1082 0.593,1083 15.331,1084 7.808,1085 11.689,1086 -0.357,1087 14.519,1088 -0.898,1089 8.92,1090 10.853,1092 17.468,1093 8.679,1094 13.138,1095 -0.627,1096 16.359,1097 -0.976,1098 10.156,1099 12.439,1100 0.469,1101 19.994,1102 9.9,1103 3.295,1104 -1.047,1105 18.211,1106 -1.509,1107 11.208,1108 13.714,1110 22.287,1111 10.92,1112 3.003,1113 11.556,1114 20.074,1115 -2.667,1116 12.392,1117 15.22,1118 0.366,1119 24.749,1120 12.085,1121 2.689,1122 9.884,1123 21.945,1124 4.304,1125 13.508,1126 16.575,1128 27.116,1129 13.172,1130 2.301,1131 8.853,1132 23.824,1133 4.086,1134 14.677,1135 18.045,1136 0.283,1137 29.556,1138 14.32,1139 1.958,1140 7.021,1141 25.709,1142 3.6,1143 15.822,1144 19.441,1146 31.959,1147 15.439,1148 1.899,1149 5.82,1150 27.599,1151 2.963,1152 16.99,1153 20.895,1154 0.217,1155 34.393,1156 16.584,1157 1.879,1158 5.596,1159 29.494,1160 2.533,1161 18.15,1162 22.313,1164 36.814,1165 17.719,1166 4722,1167 9923,1168 15.55,1169 22.443,1170 38.812,1171 40.874,1172 41.349,1173 38.323,1174 38.329,1175 50.348,1176 1.72,1177 119.575,1178 36.439,1179 5.515,1180 5.757,1181 5.926,1182 5.368,1183 5.295,1184 7.304,1185 1.72,1186 19.213,1187 5.211,1188 15.292,1189 1.552,1190 1.635,1191 1.654,1192 1.533,1193 1.533,1194 2.014,1195 0.069,1196 4.783,1197 1.458,1198 4.03,1199 4.026,1200 4.009,1201 3.935,1202 7.429,1203 3.951,1204 3.869,1205 3.873,1206 3.836,1207 3.786,1208 6.563,1209 3.795,1210 3.488,1211 3.478,1212 3.458,1213 3.326,1214 6.492,1215 3.357,1216 3.07,1217 3.063,1218 3.028,1219 2.858,1220 6.459,1221 2.895,1222 2.992,1223 3.006,1224 2.897,1225 2.755,1226 6.446,1227 2.78,1228 2.904,1229 2.919,1230 2.818,1231 2.71,1232 6.445,1233 2.727,1234 2.782,1235 2.783,1236 2.707,1237 2.496,1238 6.383,1239 2.538,1240 2.593,1241 2.574,1242 2.508,1243 2.143,1244 4.741,1245 2.238,1246 0.186,1247 0.15,1248 0.277,1249 0.171,1250 0.132,1251 4.651,1252 0.172,1253 3.757,1254 0.034,1255 6.926,1256 0.462,1257 4.27,1258 0.128,1259 3.295,1260 4.304,1261 0.86,1262 11.556,1263 3.211,1264 1.95,1265 1.95,1266 1.995,1267 2.062,1268 1.121,1269 2.037,1270 1.829,1271 1.822,1272 1.895,1273 1.937,1274 1.012,1275 1.92,1276 1.381,1277 1.387,1278 1.438,1279 1.584,1280 0.467,1281 1.534,1282 0.937,1283 0.938,1284 1.099,1285 1.217,1286 0.095,1287 1.163,1288 0.88,1289 0.856,1290 1.09,1291 1.192,1292 0.084,1293 1.149,1294 0.815,1295 0.793,1296 0.995,1297 1.088,1298 0.007,1299 1.052,1300 0.613,1301 0.604,1302 0.836,1303 0.99,1305 0.935,1306 0.305,1307 0.319,1308 0.633,1309 0.842,1311 0.756,1312 3.932,1314 5.313,1316 6.895,1318 8.574,1320 10.303,1327 57.497,1330 5.297,1340 23.352,1341 50.642,1342 99.936,1343 125.346,1344 144.855,1345 156.465,1346 156.465,1347 74.771,1348 7.07,1349 151.59,1350 151.59,1351 18,1352 12.622,1353 3.907,1354 3.17,1355 36.608,1356 68,1357 63,1358 0.275,1359 141.026,1360 258.38,1361 335.864,1362 9363,1364 16.886,1365 0.734,1366 0.492,1367 16.886,1368 11.309,1369 10.791,1370 0.432,1371 0.251,1372 6.13,1373 10.216,1374 6.074,1375 4.962,1376 10.791,1377 6.263,1378 10.554,1379 0.278,1380 0.127,1381 10.554,1382 4.81,1383 9.117,1384 0.175,1385 0.063,1386 9.117,1387 3.267,1388 7.545,1389 0.109,1390 0.032,1391 7.545,1392 2.206,1393 5.66,1394 0.064,1395 0.016,1396 5.66,1397 1.425,1398 0.412,1399 69.602,1400 0.254,1401 21.801,1402 0.817,1403 126,1404 506.369,1405 144.933,1406 475.855,1407 621.68,1408 434,1409 153,1410 445.091,1411 173.043,1412 443.416,1413 654.56,1414 416,1415 4.423}
{0 CHEMBL1642970,1 1.18,2 9.619,3 4.165,4 17.348,5 89.368,6 5.806,7 0.545,8 3.919,9 4.07,10 3.272,11 3.447,12 4.84,13 3.365,14 4.487,15 4.721,16 3.65,17 3.871,18 5.281,19 3.771,20 4.763,21 4.969,22 3.672,23 4.119,24 5.611,25 3.956,26 5.054,27 5.376,28 3.494,29 4.106,30 5.717,31 3.869,32 4.818,33 5.136,34 3.262,35 3.845,36 5.489,37 3.611,38 4.514,39 4.853,40 3.048,41 3.525,42 5.114,43 3.338,44 4.137,45 4.371,46 2.975,47 3.398,48 4.868,49 3.225,50 4.39,51 4.737,52 3.031,53 3.438,54 5.007,55 3.276,56 0.065,57 0.68,58 12.163,59 4.779,60 10.745,61 7.146,62 0.166,63 1.1,64 20.75,65 7.795,66 16.012,67 11.748,68 0.144,69 1.432,70 27.166,71 11.112,72 25.281,73 16.35,74 0.192,75 1.598,76 33.388,77 13.249,78 33.599,79 19.717,80 0.169,81 1.276,82 26.613,83 9.929,84 27.088,85 15.131,86 0.182,87 0.942,88 19.855,89 6.288,90 16.674,91 10.176,92 0.079,93 0.732,94 14.191,95 5.482,96 10.482,97 8.254,98 0.164,99 0.83,100 17.475,101 5.584,102 15.535,103 8.989,104 41,105 33,106 0.203,107 0.447,108 0.508,109 0.508,110 0.508,111 0.508,112 3.102,113 1.07,114 -4.98,115 -4.88,116 -4.57,121 38.8,122 6,125 2,128 1,144 4,145 2,147 4,176 12,187 18,189 4,190 1,200 12,203 2,216 6,229 8,239 4,241 2,251 4,253 6,264 5,277 14,281 532,282 12.96,283 12.96,284 12.96,285 12.96,286 12.96,287 11.59,288 21.614,289 7.304,290 13.177,291 10.848,292 10.848,293 10.848,294 10.848,295 10.848,296 8.79,297 29.265,298 3.465,299 11.198,300 4.435,301 3.019,302 2.665,303 2.665,304 2.665,305 2.665,306 3.751,311 1,312 1,313 410,314 3.873,318 151.497,325 1.696,326 6.677,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 43,338 202,339 4.445,340 3.539,341 7.111,342 4.314,343 3.315,344 3.867,345 0.4,346 11.658,347 3.311,348 4.434,349 3.537,350 7.111,351 4.311,352 3.312,353 3.807,355 11.657,356 3.31,357 3.95,358 2.815,359 5.585,360 3.568,361 2.651,362 3.28,364 7.71,365 2.432,366 3.645,367 2.298,368 5.095,369 3.195,370 2.253,371 3,373 6.267,374 2.126,375 2.982,376 1.708,377 4.609,378 2.653,379 1.666,380 2.102,382 4.797,383 1.641,384 2.841,385 1.529,386 4.515,387 2.457,388 1.488,389 1.942,391 4.454,392 1.436,393 2.5,394 1,395 3.414,396 1.984,397 1,398 1.5,400 2.275,401 0.983,402 2.5,403 1,404 3.414,405 1.984,406 1,407 1.5,409 2.275,410 0.983,411 1.415,412 0.335,413 3.065,414 1.103,415 0.153,416 0.186,418 0.405,419 0.145,420 0.911,421 -0.279,422 2.76,423 0.536,424 -0.447,425 -0.568,427 -1.066,428 -0.438,429 0.5,430 -0.8,431 2.526,433 -1,434 -1,436 -2.699,437 -0.946,438 0.5,439 -1,440 2,442 -1,443 -1,445 -3,446 -0.946,447 0.327,448 -1,449 2,451 -1,452 -1,454 -3,455 -0.952,457 -1,458 2,460 -1,461 -1,463 -3,464 -1,466 -1,467 2,468 -0.049,469 -1,470 -1.248,472 -3,473 -1,474 10.3,475 0.49,476 0.926,477 0.044,478 22.5,479 1.071,480 10,481 0.476,482 12.5,483 0.595,484 21.225,485 1.011,486 23.9,487 0.488,488 14.238,489 0.678,490 3.876,491 0.185,492 5.784,493 0.275,494 0.291,495 0.097,496 0.175,501 1.074,502 1.52,503 1.085,504 1.281,505 1.438,506 1.2,507 1.405,508 0.831,509 0.883,510 0.771,511 0.596,512 0.792,513 1.12,514 1.503,515 1.407,516 1.499,517 1.355,518 1.474,519 0.765,520 0.972,521 0.901,522 0.956,523 0.979,524 0.94,525 0.995,526 1.122,527 0.974,528 1.037,529 1.102,530 1.01,531 2.244,532 0.545,533 0.925,534 0.531,535 0.916,536 0.631,537 0.999,538 1.605,539 1.268,540 1.464,541 1.044,542 1.396,543 2.302,544 0.251,545 0.768,546 0.276,547 0.619,548 0.407,549 7.5,550 0.124,551 3.111,552 1.5,553 0.924,554 0.722,555 0.323,556 0.424,557 0.247,558 0.129,559 4262,560 6560,561 1.893,562 57.1,563 18,564 4,565 2,566 4,572 1.623,573 1.703,574 3.2,575 -0.891,577 1,582 57.804,583 1.18,584 2.595,585 2.95,586 2.95,587 2.95,588 2.95,589 2.606,590 2.606,591 4.364,592 3.425,593 719.331,594 7.435,595 7910.48,597 1,599 1,600 275.121,601 1.819,602 4.254,603 0.341,604 0.018,605 0.094,606 0.05,607 0.039,608 0.04,609 0.02,610 0.03,611 0.015,612 0.009,613 0.656,614 0.67,615 1,616 1.049,617 96.579,618 0.157,619 -0.244,620 0.057,621 -0.094,622 -0.254,623 -0.036,624 0.105,625 0.331,626 0.209,627 0.281,628 0.367,629 0.256,630 -0.152,631 -0.353,632 -0.345,633 -0.382,634 -0.265,635 -0.376,636 0.064,637 -0.055,638 0.042,639 -0.005,640 0.03,641 0.014,642 0.07,643 -0.185,644 -0.012,645 -0.103,646 -0.071,647 -0.069,648 -0.296,649 0.439,650 0.089,651 0.31,652 0.022,653 0.237,654 0.057,655 -0.515,656 -0.229,657 -0.406,658 -0.153,659 -0.346,660 -0.323,661 0.73,662 0.246,663 0.558,664 0.318,665 0.456,666 1.041,667 0.243,668 0.571,669 18.222,670 0.973,671 1.13,672 3.746,673 14.034,674 0.631,675 3.135,676 3.526,677 3.611,678 3.714,679 3.892,680 3.97,681 3.97,682 3.97,683 3.892,684 3.892,685 5.962,686 0.569,687 284.49,688 3.135,689 4.71,690 5.517,691 6.405,692 7.233,693 8.115,694 8.95,695 9.829,696 10.666,697 11.544,698 4.1,708 2,715 8,720 2,721 2,722 12,741 49,743 12,745 22,747 50,748 19,749 10,756 2,757 2,763 6,764 2,772 10,773 9,790 1,793 28,796 2,802 2,803 2,808 1,822 2,829 2,859 2,864 6,868 21,876 1,882 2,901 12.333,902 10.667,903 4.333,904 2.986,907 2.21,908 1.347,909 0.905,910 4.407,911 8.575,912 3.367,913 3.97,914 4.425,915 4.896,916 5.426,917 5.551,918 5.784,919 6.019,920 6.306,921 6.639,922 1,923 30,924 7.76,926 3.099,927 0.026,929 7.373,931 15.468,933 12.526,936 1.873,937 39.333,938 0.002,940 1,941 329.591,942 135.094,943 3.798,948 135.094,949 329.591,950 3.798,951 52.951,952 1.677,953 37.905,954 50.883,955 42.561,956 23.542,957 258.964,959 329.591,960 138.892,964 329.591,968 90.818,969 44.276,970 3.798,972 329.591,973 3.798,974 135.094,977 329.591,978 8.048,979 130.844,982 329.591,983 3.798,984 135.094,986 0.613,987 0.314,988 0.132,989 0.069,990 16,991 8,992 0.08,993 4,995 1,996 3.231,997 150.623,999 12,1000 54.729,1005 16.002,1006 5.784,1007 4.293,1010 17.481,1015 2.735,1016 4.401,1018 468.483,1019 28,1031 47.69,1032 55.394,1034 0.21,1035 0.462,1036 0.525,1037 0.525,1038 0.525,1039 0.525,1040 4.644,1041 1,1042 5.624,1043 2.275,1044 4.205,1045 4.654,1046 0.278,1047 6.503,1048 4.152,1049 5.912,1050 0.153,1051 7.256,1052 2.275,1053 4.29,1054 4.635,1056 7.941,1057 4.245,1058 7.262,1059 -0.447,1060 9.011,1061 0.405,1062 5.999,1063 6.824,1064 0.05,1065 10.828,1066 5.921,1067 8.644,1068 -1,1069 10.837,1070 -1.066,1071 6.781,1072 7.449,1074 12.964,1075 6.727,1076 10.051,1077 -1,1078 12.706,1079 -2.699,1080 8.132,1081 9.244,1082 0.008,1083 15.537,1084 8.059,1085 11.476,1086 -1,1087 14.602,1088 -3,1089 9.167,1090 10.165,1092 17.889,1093 9.116,1094 12.914,1095 -1,1096 16.517,1097 -3,1098 10.408,1099 11.772,1100 0.001,1101 20.38,1102 10.35,1103 3.315,1104 -1,1105 18.445,1106 -3,1107 11.539,1108 12.856,1110 22.801,1111 11.495,1112 3.312,1113 11.658,1114 20.382,1115 -3,1116 12.746,1117 14.358,1119 25.267,1120 12.701,1121 2.651,1122 11.657,1123 22.326,1124 3.867,1125 13.915,1126 15.54,1128 27.711,1129 13.878,1130 2.253,1131 7.71,1132 24.274,1133 3.807,1134 15.111,1135 16.98,1137 30.17,1138 15.076,1139 1.666,1140 6.267,1141 26.225,1142 3.28,1143 16.296,1144 18.222,1146 32.622,1147 16.265,1148 1.488,1149 4.797,1150 28.18,1151 3,1152 17.49,1153 19.624,1155 35.078,1156 17.462,1157 1,1158 4.454,1159 30.136,1160 2.102,1161 18.681,1162 20.905,1164 37.533,1165 18.656,1166 4394,1167 5524,1168 13.405,1169 30.91,1170 34.515,1171 33.755,1172 33.839,1173 33.629,1174 33.674,1175 42.367,1176 0.8,1177 102.995,1178 32.732,1179 5.218,1180 5.539,1181 6.525,1182 5.349,1183 5.315,1184 6.867,1185 0.8,1186 18.543,1187 5.248,1188 14.094,1189 1.569,1190 1.534,1191 1.538,1192 1.529,1193 1.531,1194 1.926,1195 0.036,1196 4.682,1197 1.488,1198 4.055,1199 4.107,1200 3.99,1201 3.932,1202 4.853,1203 3.938,1204 3.916,1205 3.956,1206 3.845,1207 3.833,1208 4.709,1209 3.83,1210 3.657,1211 3.728,1212 3.519,1213 3.498,1214 4.287,1215 3.496,1216 3.535,1217 3.608,1218 3.385,1219 3.386,1220 4.212,1221 3.376,1222 3.056,1223 3.135,1224 2.889,1225 2.883,1226 3.705,1227 2.876,1228 2.874,1229 3.009,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 2.874,1235 3.009,1236 2.687,1237 2.735,1238 3.674,1239 2.715,1240 2.874,1241 3.009,1242 2.499,1243 2.618,1244 3.467,1245 2.57,1246 0.202,1247 0.161,1248 0.323,1249 0.196,1250 0.151,1251 4.445,1252 0.176,1253 3.539,1254 0.018,1255 7.111,1256 0.53,1257 4.314,1258 0.151,1259 3.315,1260 3.867,1261 0.4,1262 11.658,1263 3.311,1264 1.989,1265 1.946,1266 2.114,1267 2.143,1268 1.303,1269 2.135,1270 1.913,1271 1.877,1272 2.064,1273 2.025,1274 1.27,1275 2.039,1276 1.647,1277 1.578,1278 1.884,1279 1.837,1280 1.057,1281 1.862,1282 1.538,1283 1.471,1284 1.774,1285 1.727,1286 0.854,1287 1.75,1288 1.057,1289 0.978,1290 1.417,1291 1.267,1292 0.536,1293 1.308,1294 0.934,1295 0.821,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.934,1301 0.821,1302 1.417,1303 1.239,1304 0.469,1305 1.308,1306 0.934,1307 0.804,1308 1.417,1309 1.239,1310 0.469,1311 1.308,1312 3.807,1314 5.176,1316 6.715,1318 8.32,1320 9.955,1322 13.456,1328 0.842,1334 0.418,1340 27.891,1341 57.804,1342 127.172,1343 144.552,1344 144.552,1345 144.552,1346 144.552,1347 33.002,1348 6.365,1349 7.76,1350 7.76,1351 12,1352 12.089,1353 3.7,1354 2.807,1355 39.687,1356 76,1357 54,1358 0.263,1359 177.19,1360 299.54,1361 424.103,1362 4072,1364 15.673,1365 0.746,1366 0.682,1367 15.673,1368 14.326,1369 9.66,1370 0.439,1371 0.357,1372 7.788,1373 9.457,1374 7.251,1375 6.257,1376 9.66,1377 7.85,1378 10.403,1379 0.315,1380 0.245,1381 10.403,1382 8.071,1383 6.81,1384 0.189,1385 0.112,1386 6.81,1387 4.048,1388 5,1389 0.125,1390 0.062,1391 5,1392 2.481,1393 3.744,1394 0.078,1395 0.033,1396 3.744,1397 1.574,1398 0.42,1399 59.184,1400 0.273,1401 21.108,1402 0.701,1403 110,1404 182.666,1405 114.219,1406 191.174,1407 269.38,1408 178,1409 124,1410 208.507,1411 129.329,1412 222.704,1413 313.16,1414 204,1415 4.699}
{0 CHEMBL1642971,1 1.169,2 10.455,3 4.183,4 17.496,5 94.558,6 5.741,7 0.522,8 3.974,9 4.127,10 3.315,11 3.502,12 4.881,13 3.416,14 4.548,15 4.783,16 3.683,17 3.922,18 5.325,19 3.817,20 4.834,21 5.052,22 3.7,23 4.173,24 5.654,25 4.004,26 5.097,27 5.414,28 3.512,29 4.163,30 5.749,31 3.917,32 4.905,33 5.232,34 3.29,35 3.885,36 5.539,37 3.641,38 4.579,39 4.923,40 3.142,41 3.582,42 5.177,43 3.407,44 4.219,45 4.428,46 3.071,47 3.58,48 4.979,49 3.4,50 4.549,51 4.88,52 2.988,53 3.559,54 5.112,55 3.32,56 0.069,57 0.718,58 12.957,59 5.117,60 10.93,61 7.646,62 0.146,63 1.162,64 22.05,65 8.238,66 16.143,67 12.539,68 0.189,69 1.516,70 29.094,71 11.915,72 25.992,73 17.447,74 0.178,75 1.665,76 34.573,77 14.271,78 32.939,79 20.957,80 0.188,81 1.367,82 28.707,83 10.444,84 27.657,85 16.098,86 0.204,87 1.005,88 21.162,89 6.401,90 17.507,91 10.586,92 0.067,93 0.807,94 15.435,95 6.784,96 11.129,97 9.738,98 0.114,99 0.943,100 19.799,101 7.675,102 15.235,103 11.546,104 41,105 34,106 0.199,107 0.441,108 0.516,109 0.516,110 0.516,111 0.516,112 3.145,113 1.089,114 -4.8,115 -4.71,116 -4.42,121 38.5,122 6,125 2,127 2,144 4,145 2,147 4,176 12,187 18,189 4,200 12,203 2,204 1,216 2,229 10,241 2,251 4,253 2,264 4,266 6,277 5,281 608,282 13.668,283 13.668,284 13.668,285 13.668,286 13.668,287 12.297,288 19.569,289 7.753,290 13.901,291 11.331,292 11.331,293 11.331,294 11.331,295 11.331,296 9.247,297 16.765,298 3.672,299 11.692,300 4.532,301 3.108,302 2.665,303 2.665,304 2.665,305 2.665,306 3.797,311 1,312 1,313 468,314 4,318 163.411,325 1.769,326 7.309,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 45,338 230,339 4.441,340 3.538,341 7.111,342 4.313,343 3.314,344 3.842,346 11.657,347 3.311,348 4.437,349 3.538,350 7.111,351 4.312,352 3.313,353 3.826,355 11.657,356 3.31,357 3.876,358 2.706,359 5.432,360 3.503,361 2.576,362 3.207,364 7.223,365 2.387,366 3.752,367 2.475,368 5.269,369 3.318,370 2.387,371 3.109,373 6.771,374 2.224,375 2.983,376 1.722,377 4.599,378 2.673,379 1.684,380 2.097,382 4.771,383 1.663,384 2.902,385 1.616,386 4.563,387 2.547,388 1.569,389 2.011,391 4.627,392 1.529,393 2.5,394 1,395 3.414,396 1.984,397 1,398 1.5,400 2.275,401 0.983,402 2.5,403 1,404 3.414,405 1.984,406 1,407 1.5,409 2.275,410 0.983,411 1.88,412 0.744,413 3.267,414 1.653,415 0.687,416 0.794,418 1.654,419 0.662,420 1.082,421 -0.017,422 2.829,423 0.755,424 -0.214,425 -0.261,427 -0.53,428 -0.206,429 0.736,430 -0.49,431 2.65,432 0.376,433 -0.611,434 -0.768,436 -1.414,437 -0.603,438 0.5,439 -0.979,440 2.178,442 -1,443 -1,445 -3,446 -0.946,447 0.5,448 -1,449 2,451 -1,452 -1,454 -3,455 -0.946,457 -1,458 2,460 -1,461 -1,463 -3,464 -1,466 -1,467 2,469 -1,470 -1,472 -3,473 -1,474 10.8,475 0.491,476 0.926,477 0.042,478 23,479 1.045,480 10,481 0.455,482 13,483 0.591,484 22.866,485 1.039,486 25.2,487 0.485,488 14.457,489 0.657,490 3.929,491 0.179,492 6.231,493 0.283,494 0.278,495 0.093,496 0.167,501 1.08,502 1.519,503 1.103,504 1.291,505 1.425,506 1.214,507 1.518,508 0.944,509 0.915,510 0.829,511 0.615,512 0.837,513 1.234,514 1.303,515 1.399,516 1.383,517 1.396,518 1.397,519 0.565,520 1.061,521 0.937,522 1.053,523 1.048,524 1.022,525 1.047,526 1.143,527 0.953,528 1.022,529 1.057,530 0.989,531 2.585,532 0.452,533 0.906,534 0.428,535 0.808,536 0.549,537 0.707,538 1.485,539 1.384,540 1.54,541 1.22,542 1.507,543 0.663,544 1.036,545 0.817,546 0.939,547 0.691,548 0.896,549 7.5,550 0.108,551 3.333,552 1.25,553 0.924,554 0.889,555 0.243,556 0.236,557 0.329,558 0.2,559 5083,560 7753,561 1.898,562 57.7,563 18,564 8,566 4,572 1.635,573 1.714,574 3.319,575 -0.896,577 1,582 60.778,583 1.169,584 2.592,585 3.036,586 3.036,587 3.036,588 3.036,589 2.664,590 2.664,591 4.432,592 3.546,593 819.218,594 7.562,595 9535.26,597 1,599 1,600 296.423,601 1.79,602 4.327,603 0.326,604 0.008,605 0.098,606 0.04,607 0.039,608 0.049,609 0.014,610 0.015,611 0.023,612 0.012,613 0.624,614 0.67,615 1,616 1.028,617 103.91,618 0.158,619 -0.232,620 0.055,621 -0.089,622 -0.227,623 -0.035,624 -0.019,625 0.217,626 0.183,627 0.231,628 0.349,629 0.22,630 -0.146,631 -0.151,632 -0.327,633 -0.279,634 -0.285,635 -0.307,636 0.095,637 -0.143,638 0.001,639 -0.078,640 -0.039,641 -0.05,642 0.107,643 -0.216,644 0.007,645 -0.108,646 -0.048,647 -0.065,648 -0.349,649 0.547,650 0.125,651 0.39,652 0.131,653 0.302,654 -0.115,655 -0.365,656 -0.345,657 -0.391,658 -0.27,659 -0.382,660 0.197,661 -0.138,662 0.119,663 -0.008,664 0.133,665 0.041,666 1.031,667 0.25,668 0.545,669 19.901,670 0.973,671 1.131,672 3.568,673 12.729,674 0.628,675 3.178,676 3.555,677 3.638,678 3.714,679 3.892,680 3.97,681 3.892,682 3.714,683 3.97,684 3.892,685 6.45,686 0.566,687 298.52,688 3.178,689 4.745,690 5.549,691 6.428,692 7.252,693 8.126,694 8.956,695 9.827,696 10.659,697 11.529,698 3.8,708 2,715 8,720 2,721 2,722 12,741 52,743 12,745 23,747 53,748 20,749 10,756 2,757 2,763 6,764 2,772 10,773 10,790 1,793 30,796 2,802 2,803 2,808 1,822 2,829 2,859 2,864 6,868 22,876 2,882 2,901 12.833,902 11.167,903 4.583,904 3.236,907 2.169,908 1.337,909 0.905,910 4.937,911 8.6,912 3.401,913 3.989,914 4.437,915 4.873,916 5.385,917 5.469,918 5.551,919 5.455,920 6.019,921 6.306,922 0.857,923 31,924 8.139,926 3.242,927 0.026,929 7.356,931 16.285,933 13.193,936 1.856,937 40.833,938 0.001,940 1,941 353.133,942 137.628,943 3.798,948 137.628,949 353.133,950 3.798,951 52.951,952 4.211,953 37.905,954 50.883,955 42.561,957 306.049,959 353.133,960 141.427,964 353.133,968 93.352,969 44.276,970 3.798,972 353.133,973 3.798,974 137.628,977 353.133,978 10.583,979 130.844,982 353.133,983 3.798,984 137.628,986 0.61,987 0.313,988 0.13,989 0.069,990 16,991 8,992 0.094,993 5,995 1,996 3.367,997 157.859,999 12,1000 58.598,1005 16.985,1006 6.395,1007 4.817,1010 17.659,1015 2.761,1016 4.5,1018 494.56,1019 29,1031 50.574,1032 58.809,1034 0.205,1035 0.455,1036 0.533,1037 0.533,1038 0.533,1039 0.533,1040 4.673,1041 1,1042 5.645,1043 2.275,1044 4.234,1045 4.673,1047 6.512,1048 4.182,1049 5.931,1050 0.687,1051 7.27,1052 2.275,1053 4.29,1054 4.635,1056 7.941,1057 4.245,1058 7.276,1059 -0.214,1060 9.019,1061 1.654,1062 6.014,1063 6.83,1065 10.822,1066 5.937,1067 8.653,1068 -0.611,1069 10.841,1070 -0.53,1071 6.781,1072 7.449,1074 12.96,1075 6.728,1076 10.057,1077 -1,1078 12.707,1079 -1.414,1080 8.137,1081 9.244,1083 15.53,1084 8.066,1085 11.479,1086 -1,1087 14.601,1088 -3,1089 9.164,1090 10.16,1092 17.885,1093 9.116,1094 12.915,1095 -1,1096 16.515,1097 -3,1098 10.406,1099 11.766,1101 20.375,1102 10.352,1103 3.314,1104 -1,1105 18.442,1106 -3,1107 11.534,1108 12.846,1110 22.798,1111 11.495,1112 3.313,1113 11.657,1114 20.379,1115 -3,1116 12.741,1117 14.347,1119 25.264,1120 12.701,1121 2.576,1122 11.657,1123 22.323,1124 3.842,1125 13.909,1126 15.525,1128 27.709,1129 13.878,1130 2.387,1131 7.223,1132 24.271,1133 3.826,1134 15.106,1135 16.964,1137 30.168,1138 15.076,1139 1.684,1140 6.771,1141 26.223,1142 3.207,1143 16.29,1144 18.203,1146 32.621,1147 16.265,1148 1.569,1149 4.771,1150 28.177,1151 3.109,1152 17.486,1153 19.604,1155 35.078,1156 17.461,1157 1,1158 4.627,1159 30.133,1160 2.097,1161 18.677,1162 20.882,1164 37.532,1165 18.655,1166 5202,1167 6494,1168 14.099,1169 32.671,1170 35.846,1171 34.988,1172 35.143,1173 35.044,1174 35.061,1175 43.771,1177 105.82,1178 34.104,1179 5.271,1180 5.538,1181 6.525,1182 5.348,1183 5.314,1184 6.842,1186 18.535,1187 5.247,1188 14.708,1189 1.559,1190 1.521,1191 1.528,1192 1.524,1193 1.524,1194 1.903,1196 4.601,1197 1.483,1198 4.044,1199 4.095,1200 3.973,1201 3.926,1202 4.827,1203 3.93,1204 3.942,1205 3.984,1206 3.875,1207 3.85,1208 4.744,1209 3.85,1210 3.67,1211 3.739,1212 3.53,1213 3.518,1214 4.284,1215 3.513,1216 3.57,1217 3.644,1218 3.424,1219 3.415,1220 4.232,1221 3.408,1222 3.235,1223 3.31,1224 3.049,1225 3.097,1226 3.814,1227 3.075,1228 2.874,1229 3.009,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 2.874,1235 3.009,1236 2.687,1237 2.735,1238 3.674,1239 2.715,1240 2.874,1241 3.009,1242 2.618,1243 2.618,1244 3.467,1245 2.57,1246 0.193,1247 0.154,1248 0.309,1249 0.188,1250 0.144,1251 4.441,1252 0.167,1253 3.538,1255 7.111,1256 0.507,1257 4.313,1258 0.144,1259 3.314,1260 3.842,1262 11.657,1263 3.311,1264 1.981,1265 1.939,1266 2.114,1267 2.131,1268 1.316,1269 2.128,1270 1.931,1271 1.894,1272 2.073,1273 2.051,1274 1.275,1275 2.059,1276 1.666,1277 1.599,1278 1.908,1279 1.85,1280 1.143,1281 1.877,1282 1.568,1283 1.5,1284 1.803,1285 1.763,1286 0.899,1287 1.785,1288 1.264,1289 1.192,1290 1.554,1291 1.444,1292 0.718,1293 1.486,1294 0.934,1295 0.821,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.934,1301 0.821,1302 1.417,1303 1.239,1304 0.469,1305 1.308,1306 0.934,1307 0.804,1308 1.417,1309 1.239,1310 0.469,1311 1.308,1312 3.85,1314 5.209,1316 6.739,1318 8.335,1320 9.962,1322 13.496,1328 1.98,1334 0.438,1340 29.418,1341 60.778,1342 134.806,1343 157.854,1344 157.854,1345 157.854,1346 157.854,1347 36.441,1348 6.431,1349 7.76,1350 7.76,1351 12,1352 12.08,1353 3.7,1354 2.807,1355 42.756,1356 87,1357 60,1358 0.246,1359 186.782,1360 316.84,1361 447.508,1362 4646,1364 16.38,1365 0.745,1366 0.683,1367 16.38,1368 15.033,1369 10.16,1370 0.442,1371 0.363,1372 8.288,1373 9.947,1374 7.745,1375 6.663,1376 10.16,1377 8.35,1378 10.745,1379 0.316,1380 0.247,1381 10.745,1382 8.394,1383 7.126,1384 0.193,1385 0.117,1386 7.126,1387 4.342,1388 5.106,1389 0.128,1390 0.066,1391 5.106,1392 2.631,1393 3.805,1394 0.079,1395 0.035,1396 3.805,1397 1.683,1398 0.398,1399 62.184,1400 0.266,1401 22.2,1402 0.639,1403 114,1404 186.666,1405 118.163,1406 195.162,1407 275.06,1408 182,1409 128,1410 212.507,1411 133.024,1412 226.387,1413 318,1414 208,1415 4.77}
{0 CHEMBL1642972,1 1.159,2 11.261,3 4.245,4 18.022,5 99.424,6 5.683,7 0.5,8 4.027,9 4.18,10 3.357,11 3.553,12 4.92,13 3.465,14 4.606,15 4.842,16 3.717,17 3.973,18 5.369,19 3.863,20 4.898,21 5.124,22 3.732,23 4.218,24 5.695,25 4.045,26 5.149,27 5.468,28 3.545,29 4.215,30 5.787,31 3.968,32 4.955,33 5.275,34 3.312,35 3.957,36 5.578,37 3.701,38 4.688,39 5.04,40 3.173,41 3.635,42 5.244,43 3.444,44 4.306,45 4.533,46 3.163,47 3.634,48 5.05,49 3.465,50 4.604,51 4.915,52 3.083,53 3.716,54 5.2,55 3.48,56 0.073,57 0.757,58 13.747,59 5.455,60 11.117,61 8.144,62 0.151,63 1.226,64 23.367,65 8.81,66 16.54,67 13.381,68 0.172,69 1.595,70 30.835,71 12.532,72 26.521,73 18.495,74 0.221,75 1.744,76 36.21,77 14.999,78 32.997,79 21.913,80 0.174,81 1.434,82 29.928,83 11.466,84 27.083,85 17.346,86 0.221,87 1.095,88 23.252,89 6.93,90 18.124,91 11.58,92 0.092,93 0.874,94 16.89,95 6.941,96 12.366,97 10.202,98 0.1,99 1.017,100 20.92,101 8.954,102 15.617,103 12.974,104 41,105 35,106 0.195,107 0.441,108 0.542,109 0.542,110 0.542,111 0.542,112 3.186,113 1.106,114 -5.02,115 -4.92,116 -4.61,121 38.2,122 6,123 1,125 2,127 2,144 4,145 2,147 4,176 12,187 18,189 6,200 12,203 2,214 4,216 2,217 1,227 2,229 6,239 2,241 4,251 6,253 2,264 4,266 2,277 4,279 6,281 706,282 14.375,283 14.375,284 14.375,285 14.375,286 14.375,287 13.004,288 21.614,289 8.239,290 14.606,291 11.831,292 11.831,293 11.831,294 11.831,295 11.831,296 9.747,297 19.265,298 3.899,299 12.195,300 4.623,301 3.155,302 2.556,303 2.556,304 2.556,305 2.556,306 3.841,311 1,312 1,313 528,314 4.123,318 175.176,325 1.86,326 7.712,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 47,338 259,339 4.439,340 3.538,341 7.111,342 4.313,343 3.314,344 3.836,346 11.657,347 3.311,348 4.438,349 3.538,350 7.111,351 4.312,352 3.313,353 3.831,355 11.657,356 3.311,357 3.844,358 2.656,359 5.381,360 3.469,361 2.539,362 3.178,364 7.077,365 2.361,366 3.793,367 2.551,368 5.327,369 3.375,370 2.447,371 3.144,373 6.936,374 2.272,375 2.984,376 1.738,377 4.593,378 2.697,379 1.705,380 2.093,382 4.752,383 1.689,384 2.927,385 1.651,386 4.577,387 2.587,388 1.606,389 2.039,391 4.679,392 1.572,393 2.5,394 1.095,395 3.457,396 2.059,397 1.083,398 1.5,400 2.472,401 1.055,402 2.5,403 1,404 3.414,405 1.984,406 1,407 1.5,409 2.275,410 0.983,411 2.242,412 1,413 3.414,414 1.984,415 1,416 1.216,418 2.275,419 0.983,420 1.322,421 0.263,422 2.922,423 1.077,424 0.114,425 0.132,427 0.28,428 0.11,429 0.919,430 -0.241,431 2.721,432 0.584,433 -0.397,434 -0.488,436 -0.938,437 -0.389,438 0.5,439 -0.68,440 2.455,441 0.182,442 -0.799,443 -0.971,445 -1.843,446 -0.782,447 0.5,448 -1,449 2,451 -1,452 -1,454 -3,455 -0.946,456 0.487,457 -1,458 2,460 -1,461 -1,463 -3,464 -0.946,466 -1,467 2,469 -1,470 -1,472 -3,473 -1,474 11.3,475 0.491,476 0.926,477 0.04,478 23.5,479 1.022,480 10,481 0.435,482 13.5,483 0.587,484 24.613,485 1.07,486 26.5,487 0.482,488 14.599,489 0.635,490 3.935,491 0.171,492 6.725,493 0.292,494 0.265,495 0.088,496 0.159,501 1.086,502 1.518,503 1.119,504 1.3,505 1.414,506 1.227,507 1.509,508 0.972,509 0.942,510 0.865,511 0.622,512 0.872,513 1.303,514 1.339,515 1.373,516 1.369,517 1.374,518 1.374,519 0.667,520 0.94,521 0.954,522 0.993,523 1.095,524 0.99,525 0.794,526 1.238,527 0.991,528 1.131,529 1.132,530 1.082,531 2.523,532 0.544,533 0.884,534 0.473,535 0.763,536 0.57,537 1.214,538 1.292,539 1.323,540 1.327,541 1.049,542 1.33,543 0.483,544 0.988,545 0.92,546 1.019,547 0.832,548 0.997,549 7.5,550 0.165,551 3.333,552 1.375,553 0.764,554 0.889,555 0.366,556 0.181,557 0.18,558 0.263,559 5996,560 9062,561 1.902,562 58.2,563 18,564 8,566 4,570 2,572 1.646,573 1.725,574 3.41,575 -0.901,577 1,582 63.736,583 1.159,584 2.626,585 3.226,586 3.226,587 3.226,588 3.226,589 2.806,590 2.806,591 4.497,592 3.656,593 925.078,594 7.684,595 11372,597 1,599 1,600 317.975,601 1.76,602 4.397,603 0.313,604 0.01,605 0.095,606 0.043,607 0.031,608 0.049,609 0.02,610 0.01,611 0.011,612 0.019,613 0.601,614 0.5,615 1,616 1.009,617 111.308,618 0.158,619 -0.222,620 0.053,621 -0.085,622 -0.204,623 -0.033,624 -0.018,625 0.192,626 0.161,627 0.203,628 0.344,629 0.194,630 -0.219,631 -0.196,632 -0.299,633 -0.267,634 -0.257,635 -0.284,636 0.086,637 -0.011,638 -0.01,639 -0.026,640 -0.075,641 -0.023,642 0.144,643 -0.31,644 -0.039,645 -0.188,646 -0.13,647 -0.134,648 -0.263,649 0.432,650 0.134,651 0.329,652 0.138,653 0.266,654 -0.194,655 -0.159,656 -0.257,657 -0.223,658 -0.092,659 -0.24,660 0.07,661 -0.059,662 0.019,663 -0.024,664 0.034,665 -0.008,666 1.024,667 0.277,668 0.522,669 21.656,670 0.972,671 1.131,672 3.791,673 14.37,674 0.626,675 3.219,676 3.584,677 3.664,678 3.738,679 3.892,680 3.97,681 3.892,682 3.611,683 3.714,684 3.97,685 6.936,686 0.563,687 312.55,688 3.219,689 4.779,690 5.58,691 6.454,692 7.273,693 8.143,694 8.968,695 9.836,696 10.664,697 11.53,698 3.6,708 2,715 8,720 2,721 2,722 12,741 55,743 12,745 24,747 56,748 21,749 10,756 2,757 2,763 6,764 2,770 1,772 10,773 11,790 1,793 32,796 2,802 2,803 2,808 1,822 2,829 2,859 2,864 6,868 23,876 3,882 2,901 13.333,902 11.667,903 4.833,904 3.486,907 2.13,908 1.328,909 0.904,910 5.488,911 8.625,912 3.434,913 4.007,914 4.449,915 4.881,916 5.371,917 5.43,918 5.469,919 5.114,920 5.455,921 6.019,922 1,923 32,924 8.518,926 3.385,927 0.026,929 7.341,931 17.101,933 13.859,936 1.841,937 42.333,938 0.001,940 1,941 376.675,942 140.163,943 3.798,948 140.163,949 376.675,950 3.798,951 52.951,952 6.746,953 37.905,954 50.883,955 42.561,957 329.591,959 376.675,960 143.961,964 353.133,965 23.542,968 95.887,969 44.276,970 3.798,972 376.675,973 3.798,974 140.163,977 376.675,978 13.117,979 130.844,982 376.675,983 3.798,984 140.163,986 0.605,987 0.311,988 0.132,989 0.068,990 16,991 8,992 0.107,993 6,995 1,996 3.5,997 165.293,999 12,1000 64.532,1005 17.969,1006 7.025,1007 5.333,1010 17.775,1015 2.779,1016 4.554,1018 520.636,1019 30,1031 53.458,1032 62.225,1034 0.2,1035 0.454,1036 0.558,1037 0.558,1038 0.558,1039 0.558,1040 4.7,1041 1,1042 5.666,1043 2.472,1044 4.263,1045 4.691,1047 6.524,1048 4.212,1049 5.949,1050 1,1051 7.284,1052 2.275,1053 4.29,1054 4.635,1056 7.941,1057 4.245,1058 7.289,1059 0.114,1060 9.027,1061 2.275,1062 6.028,1063 6.837,1065 10.824,1066 5.953,1067 8.662,1068 -0.397,1069 10.845,1070 0.28,1071 6.781,1072 7.449,1074 12.96,1075 6.728,1076 10.063,1077 -0.799,1078 12.709,1079 -0.938,1080 8.142,1081 9.246,1083 15.53,1084 8.073,1085 11.483,1086 -1,1087 14.603,1088 -1.843,1089 9.164,1090 10.16,1092 17.884,1093 9.117,1094 12.917,1095 -1,1096 16.516,1097 -3,1098 10.408,1099 11.767,1101 20.375,1102 10.354,1103 3.314,1104 -1,1105 18.443,1106 -3,1107 11.534,1108 12.846,1110 22.797,1111 11.495,1112 3.313,1113 11.657,1114 20.379,1115 -3,1116 12.741,1117 14.347,1119 25.264,1120 12.702,1121 2.539,1122 11.657,1123 22.322,1124 3.836,1125 13.908,1126 15.524,1128 27.709,1129 13.878,1130 2.447,1131 7.077,1132 24.271,1133 3.831,1134 15.106,1135 16.963,1137 30.168,1138 15.076,1139 1.705,1140 6.936,1141 26.223,1142 3.178,1143 16.29,1144 18.202,1146 32.62,1147 16.265,1148 1.606,1149 4.752,1150 28.177,1151 3.144,1152 17.485,1153 19.603,1155 35.078,1156 17.461,1157 1.083,1158 4.679,1159 30.133,1160 2.093,1161 18.676,1162 20.88,1164 37.532,1165 18.655,1166 6100,1167 7566,1168 14.792,1169 34.432,1170 36.979,1171 36.261,1172 36.28,1173 36.214,1174 36.241,1175 44.938,1177 108.121,1178 35.29,1179 5.308,1180 5.538,1181 6.661,1182 5.348,1183 5.314,1184 6.836,1186 18.533,1187 5.247,1188 15.305,1189 1.541,1190 1.511,1191 1.512,1192 1.509,1193 1.51,1194 1.872,1196 4.505,1197 1.47,1198 4.037,1199 4.088,1200 3.964,1201 3.922,1202 4.815,1203 3.925,1204 3.958,1205 4.002,1206 3.892,1207 3.859,1208 4.76,1209 3.861,1210 3.683,1211 3.751,1212 3.541,1213 3.54,1214 4.281,1215 3.532,1216 3.593,1217 3.666,1218 3.449,1219 3.436,1220 4.243,1221 3.43,1222 3.362,1223 3.434,1224 3.177,1225 3.233,1226 3.91,1227 3.21,1228 2.925,1229 3.013,1230 2.753,1231 2.735,1232 3.674,1233 2.722,1234 2.874,1235 3.009,1236 2.687,1237 2.735,1238 3.674,1239 2.715,1240 2.874,1241 3.009,1242 2.687,1243 2.725,1244 3.561,1245 2.715,1246 0.185,1247 0.147,1248 0.296,1249 0.18,1250 0.138,1251 4.439,1252 0.16,1253 3.538,1255 7.111,1256 0.486,1257 4.313,1258 0.138,1259 3.314,1260 3.836,1262 11.657,1263 3.311,1264 1.975,1265 1.933,1266 2.113,1267 2.122,1268 1.333,1269 2.121,1270 1.942,1271 1.904,1272 2.081,1273 2.069,1274 1.281,1275 2.073,1276 1.687,1277 1.622,1278 1.932,1279 1.862,1280 1.203,1281 1.892,1282 1.589,1283 1.521,1284 1.826,1285 1.786,1286 0.947,1287 1.808,1288 1.39,1289 1.322,1290 1.663,1291 1.561,1292 0.799,1293 1.601,1294 0.934,1295 0.832,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.934,1301 0.821,1302 1.417,1303 1.239,1304 0.469,1305 1.308,1306 0.934,1307 0.821,1308 1.417,1309 1.239,1310 0.469,1311 1.308,1312 3.892,1314 5.242,1316 6.763,1318 8.352,1320 9.973,1322 13.527,1328 3.246,1334 0.452,1340 30.945,1341 63.736,1342 144.426,1343 177.406,1344 177.406,1345 177.406,1346 177.406,1347 39.875,1348 6.495,1349 7.76,1350 7.76,1351 12,1352 12.084,1353 3.7,1354 2.807,1355 45.916,1356 98,1357 67,1358 0.231,1359 196.374,1360 334.14,1361 470.914,1362 5260,1364 17.088,1365 0.743,1366 0.684,1367 17.088,1368 15.74,1369 10.66,1370 0.444,1371 0.369,1372 8.788,1373 10.446,1374 8.235,1375 7.079,1376 10.66,1377 8.85,1378 11.098,1379 0.317,1380 0.25,1381 11.098,1382 8.747,1383 7.368,1384 0.194,1385 0.12,1386 7.368,1387 4.571,1388 5.329,1389 0.13,1390 0.069,1391 5.329,1392 2.839,1393 3.88,1394 0.081,1395 0.037,1396 3.88,1397 1.79,1398 0.379,1399 65.184,1400 0.26,1401 23.268,1402 0.59,1403 118,1404 190.666,1405 122.163,1406 199.323,1407 280.82,1408 186,1409 132,1410 216.507,1411 136.996,1412 230.547,1413 323.72,1414 212,1415 4.854}
{0 CHEMBL1642973,1 1.15,2 12.083,3 4.825,4 23.283,5 104.068,6 5.631,7 0.48,8 4.077,9 4.231,10 3.396,11 3.603,12 4.958,13 3.512,14 4.661,15 4.898,16 3.749,17 4.022,18 5.412,19 3.907,20 4.958,21 5.191,22 3.764,23 4.262,24 5.735,25 4.085,26 5.196,27 5.516,28 3.583,29 4.258,30 5.823,31 4.01,32 5.014,33 5.337,34 3.352,35 4.02,36 5.622,37 3.764,38 4.75,39 5.092,40 3.198,41 3.726,42 5.295,43 3.516,44 4.446,45 4.701,46 3.194,47 3.684,48 5.126,49 3.5,50 4.664,51 4.98,52 3.174,53 3.763,54 5.258,55 3.54,56 0.077,57 0.795,58 14.532,59 5.798,60 11.308,61 8.641,62 0.156,63 1.289,64 24.674,65 9.39,66 16.947,67 14.219,68 0.18,69 1.675,70 32.572,71 13.284,72 27.252,73 19.587,74 0.201,75 1.819,76 37.7,77 15.544,78 32.989,79 22.832,80 0.217,81 1.512,82 31.582,83 12.205,84 27.189,85 18.312,86 0.206,87 1.163,88 24.5,89 7.991,90 17.637,91 12.864,92 0.112,93 0.967,94 19.092,95 7.503,96 13.25,97 11.226,98 0.124,99 1.081,100 22.242,101 9.077,102 16.633,103 13.378,104 41,105 36,106 0.191,107 0.435,108 0.547,109 0.547,110 0.547,111 0.547,112 3.226,113 1.122,114 -5.24,115 -5.13,116 -4.8,121 37.9,122 6,123 2,125 2,127 2,144 4,145 2,147 4,176 13,187 18,189 6,200 12,203 4,214 4,216 2,227 6,229 6,230 1,239 4,251 8,253 4,264 6,266 2,277 4,279 2,281 804,282 15.082,283 15.082,284 15.082,285 15.082,286 15.082,287 13.711,288 21.614,289 8.739,290 15.314,291 12.331,292 12.331,293 12.331,294 12.331,295 12.331,296 10.247,297 16.765,298 4.146,299 12.694,300 4.708,301 3.237,302 2.562,303 2.562,304 2.562,305 2.562,306 3.883,311 1,312 1,313 592,314 4.243,318 186.839,325 1.931,326 7.995,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 49,338 290,339 4.439,340 3.538,341 7.111,342 4.312,343 3.313,344 3.834,346 11.657,347 3.311,348 4.439,349 3.538,350 7.111,351 4.312,352 3.313,353 3.833,355 11.657,356 3.311,357 3.83,358 2.632,359 5.363,360 3.45,361 2.519,362 3.168,364 7.03,365 2.346,366 3.809,367 2.583,368 5.346,369 3.401,370 2.474,371 3.155,373 6.986,374 2.296,375 2.984,376 1.758,377 4.589,378 2.726,379 1.732,380 2.09,382 4.741,383 1.721,384 2.941,385 1.672,386 4.582,387 2.613,388 1.628,389 2.053,391 4.701,392 1.599,393 2.5,394 1.334,395 3.604,396 2.302,397 1.324,398 1.5,400 2.97,401 1.293,402 2.5,403 1,404 3.414,405 1.984,406 1,407 1.5,409 2.275,410 0.983,411 2.471,412 1,413 3.414,414 1.984,415 1,416 1.469,418 2.275,419 0.983,420 1.638,421 0.562,422 3.049,423 1.466,424 0.493,425 0.547,427 1.139,428 0.479,429 1.073,430 -0.015,431 2.78,432 0.788,433 -0.184,434 -0.216,436 -0.442,437 -0.178,438 0.767,439 -0.425,440 2.601,441 0.448,442 -0.54,443 -0.66,445 -1.236,446 -0.534,447 0.5,448 -0.845,449 2.141,451 -1,452 -1,454 -2.344,455 -0.946,456 0.5,457 -1,458 2,460 -1,461 -1,463 -3,464 -0.946,465 0.205,466 -1,467 2,469 -1,470 -1,472 -3,473 -0.965,474 11.8,475 0.492,476 0.926,477 0.039,478 24,479 1,480 10,481 0.417,482 14,483 0.583,484 26.393,485 1.1,486 27.8,487 0.479,488 14.734,489 0.614,490 3.935,491 0.164,492 7.225,493 0.301,494 0.254,495 0.085,496 0.153,501 1.092,502 1.517,503 1.135,504 1.309,505 1.405,506 1.239,507 1.502,508 0.997,509 0.967,510 0.898,511 0.629,512 0.904,513 1.285,514 1.319,515 1.349,516 1.346,517 1.346,518 1.35,519 0.738,520 0.983,521 0.956,522 1.001,523 1.096,524 0.992,525 0.907,526 1.087,527 1.007,528 1.058,529 1.18,530 1.041,531 2.132,532 0.696,533 0.934,534 0.645,535 0.861,536 0.713,537 1.259,538 1.3,539 1.239,540 1.263,541 0.958,542 1.252,543 0.85,544 0.883,545 0.903,546 0.902,547 0.733,548 0.905,549 7.5,550 0.215,551 3.333,552 1.375,553 0.844,554 0.778,555 0.366,556 0.274,557 0.14,558 0.143,559 7005,560 10491,561 1.906,562 58.6,563 18,564 8,566 4,569 4,572 1.657,573 1.735,574 3.507,575 -0.905,582 66.682,583 1.15,584 2.621,585 3.296,586 3.296,587 3.296,588 3.296,589 2.855,590 2.855,591 4.56,592 3.759,593 1037.39,594 7.801,595 13434.2,597 1,600 339.763,601 1.73,602 4.463,603 0.3,604 0.015,605 0.093,606 0.042,607 0.032,608 0.041,609 0.02,610 0.015,611 0.008,612 0.009,613 0.575,614 0.5,615 1,616 0.99,617 118.773,618 0.158,619 -0.213,620 0.051,621 -0.081,622 -0.184,623 -0.031,624 -0.018,625 0.17,626 0.141,627 0.178,628 0.338,629 0.17,630 -0.204,631 -0.183,632 -0.275,633 -0.245,634 -0.225,635 -0.261,636 0.019,637 -0.052,638 -0.01,639 -0.033,640 -0.074,641 -0.025,642 0.134,643 -0.15,644 -0.049,645 -0.121,646 -0.17,647 -0.099,648 -0.199,649 0.274,650 0.07,651 0.201,652 0.023,653 0.158,654 -0.098,655 -0.21,656 -0.188,657 -0.212,658 -0.051,659 -0.206,660 0.005,661 0.064,662 0.055,663 0.067,664 0.136,665 0.064,666 1.019,667 0.294,668 0.5,669 23.75,670 0.971,671 1.132,672 4.01,673 16.076,674 0.624,675 3.258,676 3.611,677 3.689,678 3.761,679 3.912,680 3.97,681 3.892,682 3.611,683 3.611,684 3.714,685 7.419,686 0.56,687 326.58,688 3.258,689 4.812,690 5.609,691 6.479,692 7.295,693 8.161,694 8.984,695 9.848,696 10.673,697 11.537,698 3.4,708 2,715 8,720 2,721 2,722 12,741 58,743 12,745 25,747 59,748 22,749 10,756 2,757 2,763 6,764 2,770 2,772 10,773 12,793 34,796 2,802 2,803 2,808 1,822 2,829 2,859 2,864 6,868 24,876 4,882 2,901 13.833,902 12.167,903 5.083,904 3.736,907 2.093,908 1.319,909 0.904,910 6.059,911 8.65,912 3.466,913 4.025,914 4.46,915 4.888,916 5.376,917 5.417,918 5.43,919 4.984,920 5.114,921 5.455,922 0.875,923 33,924 8.896,926 3.528,927 0.026,929 7.326,931 17.918,933 14.526,936 1.826,937 43.833,938 0.001,939 1,940 1,941 400.217,942 142.698,943 3.798,948 142.698,949 400.217,950 3.798,951 52.951,952 9.28,953 37.905,954 50.883,955 42.561,957 353.133,959 400.217,960 146.496,964 353.133,965 47.084,968 98.421,969 44.276,970 3.798,972 400.217,973 3.798,974 142.698,977 400.217,978 15.652,979 130.844,982 400.217,983 3.798,984 142.698,986 0.601,987 0.309,988 0.132,989 0.069,990 16,991 8,992 0.119,993 7,995 1,996 3.63,997 172.864,999 12,1000 68.529,1005 18.955,1006 7.672,1007 5.896,1010 17.856,1015 2.793,1016 4.589,1018 546.713,1019 31,1031 56.341,1032 65.64,1034 0.196,1035 0.447,1036 0.563,1037 0.563,1038 0.563,1039 0.563,1040 4.727,1041 1,1042 5.687,1043 2.97,1044 4.29,1045 4.71,1047 6.535,1048 4.242,1049 5.967,1050 1,1051 7.298,1052 2.275,1053 4.29,1054 4.635,1056 7.941,1057 4.245,1058 7.302,1059 0.493,1060 9.036,1061 2.275,1062 6.043,1063 6.843,1065 10.826,1066 5.969,1067 8.671,1068 -0.184,1069 10.85,1070 1.139,1071 6.781,1072 7.449,1074 12.96,1075 6.728,1076 10.069,1077 -0.54,1078 12.712,1079 -0.442,1080 8.148,1081 9.247,1083 15.53,1084 8.079,1085 11.487,1086 -1,1087 14.604,1088 -1.236,1089 9.164,1090 10.16,1092 17.884,1093 9.117,1094 12.92,1095 -1,1096 16.517,1097 -2.344,1098 10.41,1099 11.767,1101 20.375,1102 10.357,1103 3.313,1104 -1,1105 18.443,1106 -3,1107 11.534,1108 12.846,1110 22.797,1111 11.495,1112 3.313,1113 11.657,1114 20.379,1115 -3,1116 12.742,1117 14.347,1119 25.264,1120 12.703,1121 2.519,1122 11.657,1123 22.323,1124 3.834,1125 13.908,1126 15.524,1128 27.709,1129 13.878,1130 2.474,1131 7.03,1132 24.271,1133 3.833,1134 15.106,1135 16.963,1137 30.168,1138 15.076,1139 1.732,1140 6.986,1141 26.223,1142 3.168,1143 16.289,1144 18.202,1146 32.62,1147 16.265,1148 1.628,1149 4.741,1150 28.177,1151 3.155,1152 17.485,1153 19.603,1155 35.078,1156 17.461,1157 1.324,1158 4.701,1159 30.133,1160 2.09,1161 18.676,1162 20.88,1164 37.532,1165 18.655,1166 7092,1167 8744,1168 15.485,1169 36.194,1170 38.302,1171 37.507,1172 37.568,1173 37.583,1174 37.592,1175 46.298,1177 110.861,1178 36.638,1179 5.335,1180 5.538,1181 6.796,1182 5.348,1183 5.313,1184 6.834,1186 18.533,1187 5.247,1188 15.888,1189 1.532,1190 1.5,1191 1.503,1192 1.503,1193 1.504,1194 1.852,1196 4.434,1197 1.466,1198 4.034,1199 4.084,1200 3.959,1201 3.92,1202 4.809,1203 3.923,1204 3.967,1205 4.012,1206 3.901,1207 3.865,1208 4.767,1209 3.867,1210 3.698,1211 3.764,1212 3.553,1213 3.565,1214 4.278,1215 3.553,1216 3.61,1217 3.682,1218 3.466,1219 3.452,1220 4.25,1221 3.447,1222 3.447,1223 3.519,1224 3.27,1225 3.315,1226 3.987,1227 3.295,1228 3.073,1229 3.159,1230 2.881,1231 2.902,1232 3.674,1233 2.886,1234 2.874,1235 3.009,1236 2.687,1237 2.735,1238 3.674,1239 2.715,1240 2.874,1241 3.009,1242 2.687,1243 2.735,1244 3.648,1245 2.715,1246 0.178,1247 0.142,1248 0.284,1249 0.172,1250 0.133,1251 4.439,1252 0.153,1253 3.538,1255 7.111,1256 0.466,1257 4.312,1258 0.132,1259 3.313,1260 3.834,1262 11.657,1263 3.311,1264 1.972,1265 1.93,1266 2.113,1267 2.116,1268 1.355,1269 2.117,1270 1.949,1271 1.91,1272 2.086,1273 2.079,1274 1.284,1275 2.082,1276 1.71,1277 1.647,1278 1.957,1279 1.876,1280 1.237,1281 1.908,1282 1.606,1283 1.537,1284 1.844,1285 1.801,1286 1.003,1287 1.825,1288 1.467,1289 1.4,1290 1.727,1291 1.642,1292 0.85,1293 1.677,1294 1.093,1295 1.01,1296 1.418,1297 1.306,1298 0.638,1299 1.349,1300 0.934,1301 0.821,1302 1.417,1303 1.239,1304 0.469,1305 1.308,1306 0.934,1307 0.821,1308 1.417,1309 1.239,1310 0.469,1311 1.308,1312 3.932,1314 5.273,1316 6.786,1318 8.368,1320 9.985,1322 13.553,1328 4.581,1334 0.462,1340 32.472,1341 66.682,1342 152.042,1343 191.194,1344 191.194,1345 191.194,1346 191.194,1347 43.411,1348 6.557,1349 7.76,1350 7.76,1351 12,1352 12.093,1353 3.7,1354 2.807,1355 49.166,1356 110,1357 74,1358 0.219,1359 205.967,1360 351.44,1361 494.319,1362 5915,1364 17.795,1365 0.741,1366 0.685,1367 17.795,1368 16.447,1369 11.16,1370 0.446,1371 0.374,1372 9.288,1373 10.946,1374 8.725,1375 7.495,1376 11.16,1377 9.35,1378 11.452,1379 0.318,1380 0.253,1381 11.452,1382 9.101,1383 7.618,1384 0.195,1385 0.124,1386 7.618,1387 4.821,1388 5.5,1389 0.131,1390 0.071,1391 5.5,1392 3.001,1393 4.038,1394 0.082,1395 0.04,1396 4.038,1397 1.937,1398 0.362,1399 68.184,1400 0.254,1401 24.316,1402 0.55,1403 122,1404 194.666,1405 126.163,1406 203.485,1407 286.58,1408 190,1409 136,1410 220.507,1411 140.996,1412 234.709,1413 329.48,1414 216,1415 5.432}
{0 CHEMBL1642974,1 1.141,2 12.88,3 5.281,4 27.893,5 108.669,6 5.584,7 0.462,8 4.125,9 4.28,10 3.435,11 3.649,12 4.994,13 3.556,14 4.713,15 4.951,16 3.78,17 4.069,18 5.452,19 3.948,20 5.015,21 5.254,22 3.795,23 4.305,24 5.774,25 4.124,26 5.241,27 5.562,28 3.62,29 4.301,30 5.859,31 4.051,32 5.067,33 5.391,34 3.398,35 4.072,36 5.664,37 3.815,38 4.822,39 5.166,40 3.243,41 3.805,42 5.354,43 3.591,44 4.524,45 4.774,46 3.219,47 3.771,48 5.184,49 3.569,50 4.764,51 5.091,52 3.204,53 3.807,54 5.32,55 3.573,56 0.08,57 0.834,58 15.314,59 6.145,60 11.5,61 9.136,62 0.162,63 1.352,64 25.974,65 9.975,66 17.361,67 15.052,68 0.188,69 1.755,70 34.283,71 14.034,72 27.945,73 20.664,74 0.207,75 1.896,76 39.214,77 16.233,78 33.25,79 23.808,80 0.198,81 1.588,82 33.091,83 12.756,84 27.25,85 19.237,86 0.247,87 1.242,88 26.166,89 8.77,90 17.806,91 13.867,92 0.1,93 1.038,94 20.464,95 8.593,96 13.028,97 12.548,98 0.142,99 1.171,100 24.309,101 9.6,102 17.25,103 14.333,104 41,105 37,106 0.187,107 0.428,108 0.554,109 0.569,110 0.569,111 0.569,112 3.265,113 1.137,114 -5.45,115 -5.33,116 -4.98,121 37.7,122 6,123 3,125 2,127 2,144 4,145 2,147 4,176 14,187 19,189 6,200 12,203 4,214 4,216 4,227 6,229 6,239 8,242 1,251 10,264 8,266 4,277 6,279 2,281 926,282 15.789,283 15.789,284 15.789,285 15.789,286 15.789,287 14.418,288 21.614,289 9.239,290 16.021,291 12.831,292 12.831,293 12.831,294 12.831,295 12.831,296 10.747,297 16.765,298 4.396,299 13.194,300 4.789,301 3.326,302 2.559,303 2.468,304 2.468,305 2.468,306 3.923,311 1,312 1,313 658,314 4.359,318 198.432,325 2.054,326 8.206,329 0.75,330 1,331 1,332 1,333 1,334 1,335 1,336 0.96,337 51,338 322,339 4.439,340 3.538,341 7.111,342 4.312,343 3.313,344 3.834,346 11.657,347 3.311,348 4.439,349 3.538,350 7.111,351 4.312,352 3.313,353 3.834,355 11.657,356 3.311,357 3.824,358 2.62,359 5.357,360 3.44,361 2.509,362 3.164,364 7.015,365 2.336,366 3.815,367 2.597,368 5.352,369 3.414,370 2.486,371 3.159,373 7.001,374 2.308,375 2.985,376 1.783,377 4.588,378 2.762,379 1.766,380 2.088,382 4.733,383 1.758,384 2.95,385 1.687,386 4.584,387 2.632,388 1.645,389 2.061,391 4.712,392 1.62,393 2.614,394 1.482,395 3.709,396 2.441,397 1.461,398 1.622,400 3.276,401 1.428,402 2.5,403 1,404 3.414,405 1.984,406 1,407 1.5,409 2.275,410 0.983,411 2.5,412 1,413 3.414,414 1.984,415 1,416 1.5,418 2.275,419 0.983,420 1.928,421 0.838,422 3.191,423 1.794,424 0.813,425 0.884,427 1.805,428 0.796,429 1.269,430 0.219,431 2.847,432 1.062,433 0.092,434 0.103,436 0.215,437 0.089,438 0.926,439 -0.212,440 2.683,441 0.624,442 -0.357,443 -0.426,445 -0.834,446 -0.35,447 0.574,448 -0.593,449 2.393,450 0.302,451 -0.687,452 -0.821,454 -1.542,455 -0.679,456 0.5,457 -0.983,458 2,460 -1,461 -1,463 -2.784,464 -0.946,465 0.5,466 -1,467 2,469 -1,470 -1,472 -3,473 -0.946,474 12.3,475 0.492,476 0.926,477 0.037,478 24.5,479 0.98,480 10,481 0.4,482 14.5,483 0.58,484 28.199,485 1.128,486 29.1,487 0.477,488 14.862,489 0.594,490 3.935,491 0.157,492 7.725,493 0.309,494 0.244,495 0.081,496 0.146,501 1.098,502 1.516,503 1.149,504 1.317,505 1.397,506 1.25,507 1.495,508 1.019,509 0.99,510 0.927,511 0.636,512 0.932,513 1.269,514 1.301,515 1.328,516 1.325,517 1.323,518 1.329,519 0.743,520 0.984,521 0.957,522 1.001,523 1.091,524 0.991,525 0.979,526 1.129,527 1.005,528 1.063,529 1.173,530 1.041,531 2.213,532 0.542,533 0.957,534 0.587,535 0.925,536 0.687,537 0.804,538 1.432,539 1.273,540 1.413,541 1.067,542 1.375,543 0.921,544 0.928,545 0.884,546 0.898,547 0.699,548 0.891,549 7.5,550 0.115,551 3.333,552 1.375,553 0.844,554 0.833,555 0.284,556 0.274,557 0.214,558 0.111,559 8114,560 12044,561 1.91,562 59,563 20,564 8,566 4,569 4,572 1.667,573 1.744,574 3.588,575 -0.909,582 69.616,583 1.141,584 2.605,585 3.372,586 3.462,587 3.462,588 3.462,589 2.983,590 2.983,591 4.619,592 3.854,593 1156.22,594 7.915,595 15735.1,600 361.775,601 1.699,602 4.527,603 0.288,604 0.007,605 0.09,606 0.04,607 0.031,608 0.042,609 0.015,610 0.015,611 0.012,612 0.006,613 0.547,614 0.5,615 0.88,616 0.971,617 126.302,618 0.158,619 -0.204,620 0.049,621 -0.077,622 -0.167,623 -0.03,624 -0.019,625 0.149,626 0.124,627 0.156,628 0.333,629 0.149,630 -0.191,631 -0.172,632 -0.254,633 -0.227,634 -0.199,635 -0.241,636 0.019,637 -0.05,638 -0.01,639 -0.032,640 -0.067,641 -0.024,642 0.056,643 -0.19,644 -0.047,645 -0.125,646 -0.166,647 -0.097,648 -0.194,649 0.434,650 0.051,651 0.255,652 -0.038,653 0.181,654 -0.027,655 -0.355,656 -0.239,657 -0.321,658 -0.18,659 -0.296,660 0.055,661 0.005,662 0.069,663 0.043,664 0.137,665 0.054,666 1.015,667 0.306,668 0.48,669 25.888,670 0.971,671 1.132,672 4.224,673 17.845,674 0.622,675 3.296,676 3.638,677 3.714,678 3.784,679 3.932,680 3.989,681 3.892,682 3.611,683 3.611,684 3.611,685 7.9,686 0.557,687 340.61,688 3.296,689 4.844,690 5.638,691 6.503,692 7.317,693 8.179,694 8.999,695 9.861,696 10.684,697 11.546,698 3.3,708 2,715 8,720 2,721 2,722 12,741 61,743 12,745 26,747 62,748 23,749 10,756 2,757 2,763 6,764 2,770 3,772 10,773 13,793 36,796 2,802 2,803 2,808 1,822 2,829 2,859 2,864 6,868 25,876 5,882 2,901 14.333,902 12.667,903 5.333,904 3.986,907 2.058,908 1.311,909 0.904,910 6.649,911 8.674,912 3.497,913 4.043,914 4.472,915 4.896,916 5.38,917 5.422,918 5.417,919 4.921,920 4.984,921 5.114,922 1,923 34,924 9.274,926 3.67,927 0.026,929 7.313,931 18.734,933 15.193,936 1.813,937 45.333,938 0.001,941 423.76,942 145.232,943 3.798,948 145.232,949 423.76,950 3.798,951 52.951,952 11.815,953 37.905,954 50.883,955 42.561,957 376.675,959 423.76,960 149.03,964 376.675,965 47.084,968 100.956,969 44.276,970 3.798,972 423.76,973 3.798,974 145.232,977 423.76,978 18.186,979 130.844,982 423.76,983 3.798,984 145.232,986 0.597,987 0.307,988 0.132,989 0.069,990 16,991 8,992 0.129,993 8,995 1,996 3.759,997 180.543,999 12,1000 74.587,1005 19.942,1006 8.336,1007 6.45,1010 17.917,1015 2.803,1016 4.612,1018 572.79,1019 32,1031 59.225,1032 69.055,1034 0.192,1035 0.439,1036 0.569,1037 0.584,1038 0.584,1039 0.584,1040 4.754,1041 1,1042 5.707,1043 3.276,1044 4.317,1045 4.727,1047 6.547,1048 4.27,1049 5.985,1050 1,1051 7.311,1052 2.275,1053 4.29,1054 4.635,1056 7.941,1057 4.245,1058 7.314,1059 0.813,1060 9.044,1061 2.275,1062 6.057,1063 6.85,1065 10.827,1066 5.984,1067 8.68,1068 0.092,1069 10.855,1070 1.805,1071 6.781,1072 7.449,1074 12.96,1075 6.728,1076 10.075,1077 -0.357,1078 12.715,1079 0.215,1080 8.154,1081 9.249,1083 15.531,1084 8.085,1085 11.491,1086 -0.687,1087 14.606,1088 -0.834,1089 9.164,1090 10.16,1092 17.884,1093 9.117,1094 12.923,1095 -1,1096 16.518,1097 -1.542,1098 10.413,1099 11.768,1101 20.375,1102 10.359,1103 3.313,1104 -1,1105 18.444,1106 -2.784,1107 11.534,1108 12.846,1110 22.797,1111 11.495,1112 3.313,1113 11.657,1114 20.38,1115 -3,1116 12.743,1117 14.347,1119 25.264,1120 12.703,1121 2.509,1122 11.657,1123 22.323,1124 3.834,1125 13.908,1126 15.524,1128 27.709,1129 13.878,1130 2.486,1131 7.015,1132 24.271,1133 3.834,1134 15.106,1135 16.963,1137 30.168,1138 15.076,1139 1.766,1140 7.001,1141 26.223,1142 3.164,1143 16.289,1144 18.202,1146 32.62,1147 16.265,1148 1.645,1149 4.733,1150 28.177,1151 3.159,1152 17.485,1153 19.603,1155 35.078,1156 17.461,1157 1.461,1158 4.712,1159 30.133,1160 2.088,1161 18.676,1162 20.88,1164 37.532,1165 18.655,1166 8182,1167 10032,1168 16.178,1169 37.955,1170 39.45,1171 38.775,1172 38.741,1173 38.783,1174 38.797,1175 47.496,1177 113.243,1178 37.845,1179 5.354,1180 5.538,1181 6.881,1182 5.348,1183 5.313,1184 6.834,1186 18.533,1187 5.247,1188 16.457,1189 1.517,1190 1.491,1191 1.49,1192 1.492,1193 1.492,1194 1.827,1196 4.356,1197 1.456,1198 4.031,1199 4.081,1200 3.956,1201 3.919,1202 4.807,1203 3.921,1204 3.973,1205 4.019,1206 3.906,1207 3.869,1208 4.77,1209 3.871,1210 3.713,1211 3.777,1212 3.565,1213 3.589,1214 4.276,1215 3.574,1216 3.623,1217 3.695,1218 3.48,1219 3.467,1220 4.254,1221 3.462,1222 3.505,1223 3.578,1224 3.337,1225 3.365,1226 4.045,1227 3.349,1228 3.197,1229 3.277,1230 2.998,1231 3.046,1232 3.728,1233 3.024,1234 2.874,1235 3.009,1236 2.687,1237 2.735,1238 3.674,1239 2.715,1240 2.874,1241 3.009,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.171,1247 0.136,1248 0.273,1249 0.166,1250 0.127,1251 4.439,1252 0.147,1253 3.538,1255 7.111,1256 0.448,1257 4.312,1258 0.127,1259 3.313,1260 3.834,1262 11.657,1263 3.311,1264 1.969,1265 1.927,1266 2.112,1267 2.111,1268 1.376,1269 2.114,1270 1.953,1271 1.914,1272 2.091,1273 2.087,1274 1.29,1275 2.089,1276 1.732,1277 1.67,1278 1.978,1279 1.89,1280 1.254,1281 1.924,1282 1.621,1283 1.552,1284 1.863,1285 1.815,1286 1.064,1287 1.839,1288 1.515,1289 1.448,1290 1.766,1291 1.696,1292 0.89,1293 1.727,1294 1.228,1295 1.151,1296 1.54,1297 1.422,1298 0.741,1299 1.467,1300 0.934,1301 0.821,1302 1.417,1303 1.239,1304 0.469,1305 1.308,1306 0.934,1307 0.821,1308 1.417,1309 1.239,1310 0.469,1311 1.308,1312 3.97,1314 5.303,1316 6.808,1318 8.384,1320 9.997,1322 13.574,1328 5.957,1334 0.47,1340 33.998,1341 69.616,1342 158.904,1343 205.697,1344 211.207,1345 211.207,1346 211.207,1347 47.071,1348 6.616,1349 7.76,1350 7.76,1351 12,1352 12.103,1353 3.7,1354 2.807,1355 52.504,1356 122,1357 82,1358 0.208,1359 215.559,1360 368.74,1361 517.724,1362 6612,1364 18.502,1365 0.74,1366 0.686,1367 18.502,1368 17.154,1369 11.66,1370 0.448,1371 0.379,1372 9.788,1373 11.446,1374 9.215,1375 7.912,1376 11.66,1377 9.85,1378 11.805,1379 0.319,1380 0.256,1381 11.805,1382 9.455,1383 7.868,1384 0.197,1385 0.127,1386 7.868,1387 5.071,1388 5.677,1389 0.132,1390 0.074,1391 5.677,1392 3.178,1393 4.159,1394 0.083,1395 0.041,1396 4.159,1397 2.051,1398 0.348,1399 71.184,1400 0.249,1401 25.344,1402 0.517,1403 126,1404 198.666,1405 130.163,1406 207.646,1407 292.34,1408 194,1409 140,1410 224.507,1411 144.996,1412 238.871,1413 335.24,1414 220,1415 4.62}
{0 CHEMBL1642975,1 1.133,2 13.692,3 5.738,4 32.92,5 113.27,6 5.541,7 0.444,8 4.171,9 4.326,10 3.472,11 3.694,12 5.029,13 3.599,14 4.763,15 5.001,16 3.81,17 4.114,18 5.491,19 3.989,20 5.069,21 5.313,22 3.826,23 4.346,24 5.811,25 4.161,26 5.284,27 5.605,28 3.656,29 4.342,30 5.893,31 4.091,32 5.118,33 5.443,34 3.443,35 4.124,36 5.706,37 3.865,38 4.886,39 5.23,40 3.294,41 3.869,42 5.409,43 3.652,44 4.614,45 4.875,46 3.262,47 3.847,48 5.249,49 3.64,50 4.822,51 5.141,52 3.229,53 3.884,54 5.368,55 3.637,56 0.084,57 0.872,58 16.093,59 6.492,60 11.695,61 9.63,62 0.167,63 1.415,64 27.267,65 10.557,66 17.78,67 15.88,68 0.196,69 1.834,70 35.972,71 14.778,72 28.605,73 21.731,74 0.214,75 1.972,76 40.726,77 16.922,78 33.527,79 24.783,80 0.205,81 1.665,82 34.623,83 13.447,84 27.571,85 20.219,86 0.226,87 1.318,88 27.69,89 9.347,90 17.954,91 14.822,92 0.142,93 1.119,94 22.229,95 9.389,96 13.412,97 13.589,98 0.13,99 1.241,100 25.582,101 10.657,102 16.819,103 15.603,104 41,105 38,106 0.184,107 0.42,108 0.552,109 0.573,110 0.573,111 0.573,112 3.302,113 1.15,114 -5.67,115 -5.53,116 -5.16,121 37.5,122 6,123 4,125 2,127 2,144 4,145 2,147 4,176 15,187 20,189 6,200 13,203 4,214 4,216 4,227 6,229 8,239 8,251 14,254 1,264 10,277 8,279 4,281 1048,282 16.496,283 16.496,284 16.496,285 16.496,286 16.496,287 15.126,288 21.614,289 9.739,290 16.728,291 13.331,292 13.331,293 13.331,294 13.331,295 13.331,296 11.247,297 16.765,298 4.646,299 13.694,300 4.867,301 3.417,302 2.603,303 2.478,304 2.478,305 2.478,306 3.962,312 1,313 728,314 4.472,318 209.974,325 2.178,326 8.371,329 0.75,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.94,337 53,338 356,339 4.439,340 3.538,341 7.111,342 4.312,343 3.313,344 3.834,346 11.657,347 3.311,348 4.439,349 3.538,350 7.111,351 4.312,352 3.313,353 3.834,355 11.657,356 3.311,357 3.822,358 2.614,359 5.355,360 3.434,361 2.503,362 3.162,364 7.01,365 2.331,366 3.818,367 2.604,368 5.354,369 3.421,370 2.492,371 3.161,373 7.006,374 2.315,375 2.986,376 1.812,377 4.587,378 2.8,379 1.803,380 2.086,382 4.729,383 1.798,384 2.956,385 1.699,386 4.585,387 2.649,388 1.66,389 2.066,391 4.717,392 1.638,393 2.707,394 1.567,395 3.781,396 2.518,397 1.537,398 1.72,400 3.472,401 1.505,402 2.5,403 1.062,404 3.414,405 2.038,406 1.054,407 1.5,409 2.29,410 1.036,411 2.5,412 1,413 3.414,414 1.984,415 1,416 1.5,418 2.275,419 0.983,420 2.154,421 1,422 3.325,423 1.984,424 1,425 1.132,427 2.275,428 0.983,429 1.511,430 0.459,431 2.934,432 1.366,433 0.388,434 0.423,436 0.876,437 0.379,438 1.066,439 -0.013,440 2.743,441 0.815,442 -0.16,443 -0.183,445 -0.375,446 -0.155,447 0.791,448 -0.377,449 2.549,450 0.5,451 -0.488,452 -0.583,454 -1.11,455 -0.482,456 0.5,457 -0.743,458 2.117,459 0.138,460 -0.845,461 -0.978,463 -1.887,464 -0.829,465 0.5,466 -1,467 2,469 -1,470 -1,472 -3,473 -0.946,474 12.8,475 0.492,476 0.926,477 0.036,478 25,479 0.962,480 10,481 0.385,482 15,483 0.577,484 30.03,485 1.155,486 30.4,487 0.475,488 14.986,489 0.576,490 3.935,491 0.151,492 8.225,493 0.316,494 0.234,495 0.078,496 0.141,501 1.103,502 1.516,503 1.162,504 1.324,505 1.391,506 1.26,507 1.49,508 1.04,509 1.011,510 0.954,511 0.644,512 0.958,513 1.255,514 1.285,515 1.31,516 1.307,517 1.302,518 1.31,519 0.748,520 0.985,521 0.958,522 1,523 1.086,524 0.991,525 0.976,526 1.122,527 1.004,528 1.059,529 1.16,530 1.037,531 2.247,532 0.623,533 0.957,534 0.623,535 0.918,536 0.708,537 0.969,538 1.181,539 1.273,540 1.277,541 1.13,542 1.288,543 0.601,544 1.048,545 0.931,546 1.03,547 0.798,548 1.002,549 7.5,550 0.091,551 3.333,552 1.375,553 0.844,554 0.833,555 0.325,556 0.212,557 0.214,558 0.171,559 9327,560 13725,561 1.913,562 59.4,563 22,564 8,566 4,569 4,572 1.677,573 1.753,574 3.675,575 -0.913,582 72.54,583 1.133,584 2.583,585 3.397,586 3.522,587 3.522,588 3.522,589 3.027,590 3.027,591 4.676,592 3.943,593 1281.61,594 8.025,595 18288.3,600 384,601 1.669,602 4.588,603 0.278,604 0.005,605 0.088,606 0.039,607 0.03,608 0.04,609 0.016,610 0.011,611 0.012,612 0.01,613 0.528,614 0.5,615 0.88,616 0.954,617 133.893,618 0.157,619 -0.196,620 0.048,621 -0.074,622 -0.151,623 -0.028,624 -0.019,625 0.131,626 0.107,627 0.136,628 0.327,629 0.129,630 -0.179,631 -0.162,632 -0.235,633 -0.212,634 -0.175,635 -0.224,636 0.019,637 -0.048,638 -0.01,639 -0.03,640 -0.06,641 -0.023,642 0.056,643 -0.181,644 -0.044,645 -0.119,646 -0.156,647 -0.092,648 -0.276,649 0.35,650 0.047,651 0.226,652 -0.041,653 0.165,654 -0.03,655 -0.103,656 -0.232,657 -0.206,658 -0.236,659 -0.225,660 0.097,661 -0.114,662 0.014,663 -0.054,664 0.026,665 -0.029,666 1.012,667 0.315,668 0.462,669 28.071,670 0.97,671 1.132,672 4.436,673 19.674,674 0.621,675 3.332,676 3.664,677 3.738,678 3.807,679 3.951,680 4.007,681 3.912,682 3.611,683 3.611,684 3.611,685 8.377,686 0.555,687 354.64,688 3.332,689 4.875,690 5.666,691 6.526,692 7.338,693 8.197,694 9.015,695 9.874,696 10.696,697 11.555,698 3.1,708 2,715 8,720 2,721 2,722 12,741 64,743 12,745 27,747 65,748 24,749 10,756 2,757 2,763 6,764 2,770 4,772 10,773 14,793 38,796 2,802 2,803 2,808 1,822 2,829 2,859 2,864 6,868 26,876 6,882 2,901 14.833,902 13.167,903 5.583,904 4.236,907 2.025,908 1.303,909 0.904,910 7.256,911 8.698,912 3.526,913 4.06,914 4.483,915 4.903,916 5.385,917 5.426,918 5.422,919 4.899,920 4.921,921 4.984,922 0.889,923 35,924 9.653,926 3.813,927 0.026,929 7.301,931 19.551,933 15.859,936 1.801,937 46.833,938 0.001,941 447.302,942 147.767,943 3.798,948 147.767,949 447.302,950 3.798,951 52.951,952 14.35,953 37.905,954 50.883,955 42.561,957 400.217,959 447.302,960 151.565,964 400.217,965 47.084,968 103.49,969 44.276,970 3.798,972 447.302,973 3.798,974 147.767,977 447.302,978 20.721,979 130.844,982 447.302,983 3.798,984 147.767,986 0.593,987 0.305,988 0.132,989 0.069,990 16,991 8,992 0.138,993 9,995 1,996 3.885,997 188.313,999 12,1000 78.702,1005 20.929,1006 9.014,1007 7.049,1010 17.965,1015 2.812,1016 4.629,1018 598.867,1019 33,1031 62.108,1032 72.47,1034 0.189,1035 0.43,1036 0.566,1037 0.587,1038 0.587,1039 0.587,1040 4.779,1041 1.054,1042 5.727,1043 3.472,1044 4.344,1045 4.745,1047 6.558,1048 4.298,1049 6.003,1050 1,1051 7.324,1052 2.29,1053 4.29,1054 4.635,1056 7.941,1057 4.245,1058 7.327,1059 1,1060 9.052,1061 2.275,1062 6.071,1063 6.856,1065 10.829,1066 5.999,1067 8.688,1068 0.388,1069 10.86,1070 2.275,1071 6.781,1072 7.449,1074 12.96,1075 6.728,1076 10.081,1077 -0.16,1078 12.718,1079 0.876,1080 8.16,1081 9.251,1083 15.531,1084 8.091,1085 11.495,1086 -0.488,1087 14.607,1088 -0.375,1089 9.164,1090 10.16,1092 17.884,1093 9.117,1094 12.925,1095 -0.845,1096 16.518,1097 -1.11,1098 10.415,1099 11.768,1101 20.375,1102 10.361,1103 3.313,1104 -1,1105 18.444,1106 -1.887,1107 11.534,1108 12.846,1110 22.797,1111 11.495,1112 3.313,1113 11.657,1114 20.38,1115 -3,1116 12.744,1117 14.347,1119 25.264,1120 12.704,1121 2.503,1122 11.657,1123 22.323,1124 3.834,1125 13.908,1126 15.524,1128 27.709,1129 13.878,1130 2.492,1131 7.01,1132 24.271,1133 3.834,1134 15.106,1135 16.963,1137 30.168,1138 15.077,1139 1.803,1140 7.006,1141 26.223,1142 3.162,1143 16.289,1144 18.202,1146 32.62,1147 16.265,1148 1.66,1149 4.729,1150 28.177,1151 3.161,1152 17.485,1153 19.603,1155 35.078,1156 17.461,1157 1.537,1158 4.717,1159 30.133,1160 2.086,1161 18.676,1162 20.88,1164 37.532,1165 18.655,1166 9374,1167 11434,1168 16.871,1169 39.717,1170 40.772,1171 40.029,1172 40.016,1173 40.128,1174 40.13,1175 48.834,1177 115.929,1178 39.176,1179 5.368,1180 5.538,1181 6.937,1182 5.348,1183 5.313,1184 6.834,1186 18.533,1187 5.247,1188 17.014,1189 1.51,1190 1.483,1191 1.482,1192 1.486,1193 1.486,1194 1.809,1196 4.294,1197 1.451,1198 4.03,1199 4.08,1200 3.954,1201 3.918,1202 4.806,1203 3.92,1204 3.976,1205 4.023,1206 3.909,1207 3.871,1208 4.772,1209 3.873,1210 3.729,1211 3.792,1212 3.578,1213 3.611,1214 4.275,1215 3.594,1216 3.635,1217 3.706,1218 3.492,1219 3.482,1220 4.257,1221 3.476,1222 3.545,1223 3.618,1224 3.383,1225 3.397,1226 4.09,1227 3.385,1228 3.294,1229 3.372,1230 3.097,1231 3.155,1232 3.801,1233 3.131,1234 2.973,1235 3.065,1236 2.778,1237 2.784,1238 3.674,1239 2.77,1240 2.874,1241 3.009,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.164,1247 0.131,1248 0.263,1249 0.16,1250 0.123,1251 4.439,1252 0.142,1253 3.538,1255 7.111,1256 0.432,1257 4.312,1258 0.123,1259 3.313,1260 3.834,1262 11.657,1263 3.311,1264 1.967,1265 1.925,1266 2.112,1267 2.109,1268 1.393,1269 2.112,1270 1.956,1271 1.916,1272 2.093,1273 2.091,1274 1.294,1275 2.093,1276 1.752,1277 1.692,1278 1.996,1279 1.905,1280 1.265,1281 1.94,1282 1.635,1283 1.567,1284 1.879,1285 1.825,1286 1.121,1287 1.851,1288 1.547,1289 1.479,1290 1.794,1291 1.734,1292 0.93,1293 1.762,1294 1.329,1295 1.255,1296 1.625,1297 1.511,1298 0.803,1299 1.555,1300 0.989,1301 0.899,1302 1.417,1303 1.239,1304 0.577,1305 1.308,1306 0.934,1307 0.821,1308 1.417,1309 1.239,1310 0.469,1311 1.308,1312 4.007,1314 5.333,1316 6.83,1318 8.4,1320 10.008,1322 13.591,1328 7.36,1334 0.476,1340 35.525,1341 72.54,1342 165.284,1343 217.432,1344 225.432,1345 225.432,1346 225.432,1347 50.867,1348 6.673,1349 7.76,1350 7.76,1351 12,1352 12.114,1353 3.7,1354 2.807,1355 55.929,1356 135,1357 90,1358 0.199,1359 225.151,1360 386.04,1361 541.13,1362 7352,1364 19.209,1365 0.739,1366 0.687,1367 19.209,1368 17.861,1369 12.16,1370 0.45,1371 0.383,1372 10.288,1373 11.946,1374 9.705,1375 8.329,1376 12.16,1377 10.35,1378 12.159,1379 0.32,1380 0.258,1381 12.159,1382 9.808,1383 8.118,1384 0.198,1385 0.13,1386 8.118,1387 5.321,1388 5.854,1389 0.133,1390 0.076,1391 5.854,1392 3.355,1393 4.284,1394 0.084,1395 0.043,1396 4.284,1397 2.176,1398 0.335,1399 74.184,1400 0.243,1401 26.354,1402 0.489,1403 130,1404 202.666,1405 134.163,1406 211.808,1407 298.1,1408 198,1409 144,1410 228.507,1411 148.996,1412 243.032,1413 341,1414 224,1415 7.495}
{0 CHEMBL1642976,1 1.126,2 14.481,3 6.194,4 38.363,5 117.871,6 5.503,7 0.429,8 4.214,9 4.37,10 3.507,11 3.737,12 5.063,13 3.64,14 4.81,15 5.049,16 3.839,17 4.156,18 5.528,19 4.027,20 5.12,21 5.369,22 3.855,23 4.386,24 5.847,25 4.196,26 5.325,27 5.647,28 3.691,29 4.382,30 5.926,31 4.129,32 5.167,33 5.492,34 3.485,35 4.173,36 5.746,37 3.913,38 4.947,39 5.291,40 3.343,41 3.932,42 5.462,43 3.711,44 4.693,45 4.959,46 3.312,47 3.908,48 5.31,49 3.698,50 4.889,51 5.212,52 3.272,53 3.952,54 5.422,55 3.704,56 0.088,57 0.91,58 16.869,59 6.838,60 11.891,61 10.123,62 0.172,63 1.479,64 28.554,65 11.137,66 18.202,67 16.705,68 0.203,69 1.913,70 37.641,71 15.517,72 29.239,73 22.788,74 0.22,75 2.049,76 42.236,77 17.609,78 33.819,79 25.758,80 0.211,81 1.741,82 36.151,83 14.137,84 27.9,85 21.199,86 0.231,87 1.394,88 29.237,89 10.061,90 18.356,91 15.832,92 0.124,93 1.197,94 23.847,95 9.979,96 13.775,97 14.574,98 0.171,99 1.32,100 27.248,101 11.429,102 17.005,103 16.599,104 41,105 39,106 0.181,107 0.412,108 0.548,109 0.578,110 0.591,111 0.591,112 3.338,113 1.162,114 -5.87,115 -5.73,116 -5.34,121 37.3,122 6,123 5,125 2,127 2,144 4,145 2,147 4,176 16,187 21,189 6,200 14,203 4,214 5,216 4,227 6,229 8,239 8,241 2,251 14,264 14,267 1,277 10,281 1196,282 17.203,283 17.203,284 17.203,285 17.203,286 17.203,287 15.833,288 21.614,289 10.239,290 17.435,291 13.831,292 13.831,293 13.831,294 13.831,295 13.831,296 11.747,297 16.765,298 4.896,299 14.194,300 4.94,301 3.509,302 2.665,303 2.479,304 2.397,305 2.397,306 3.999,312 1,313 800,314 4.583,318 221.482,325 2.316,326 8.503,329 0.75,330 0.67,331 0.83,332 1,333 1,334 1,335 1,336 0.89,337 55,338 391,339 4.439,340 3.538,341 7.111,342 4.312,343 3.313,344 3.834,346 11.657,347 3.311,348 4.439,349 3.538,350 7.111,351 4.312,352 3.313,353 3.834,355 11.657,356 3.311,357 3.821,358 2.611,359 5.355,360 3.431,361 2.501,362 3.162,364 7.009,365 2.328,366 3.819,367 2.606,368 5.354,369 3.424,370 2.495,371 3.161,373 7.007,374 2.319,375 2.986,376 1.842,377 4.586,378 2.836,379 1.838,380 2.084,382 4.726,383 1.834,384 2.96,385 1.711,386 4.586,387 2.666,388 1.676,389 2.07,391 4.72,392 1.657,393 2.77,394 1.616,395 3.83,396 2.563,397 1.58,398 1.785,400 3.601,401 1.55,402 2.5,403 1.235,404 3.44,405 2.215,406 1.23,407 1.5,409 2.646,410 1.21,411 2.5,412 1,413 3.414,414 1.984,415 1,416 1.5,418 2.275,419 0.983,420 2.322,421 1,422 3.414,423 1.984,424 1,425 1.313,427 2.275,428 0.983,429 1.748,430 0.685,431 3.04,432 1.635,433 0.652,434 0.698,436 1.427,437 0.64,438 1.233,439 0.189,440 2.799,441 1.052,442 0.077,443 0.084,445 0.175,446 0.075,447 0.932,448 -0.189,449 2.645,450 0.659,451 -0.323,452 -0.376,454 -0.745,455 -0.316,456 0.631,457 -0.526,458 2.341,459 0.378,460 -0.613,461 -0.722,463 -1.364,464 -0.607,465 0.5,466 -0.873,467 2,469 -1,470 -1,472 -2.237,473 -0.946,474 13.3,475 0.493,476 0.926,477 0.034,478 25.5,479 0.944,480 10,481 0.37,482 15.5,483 0.574,484 31.885,485 1.181,486 31.7,487 0.473,488 15.105,489 0.559,490 3.935,491 0.146,492 8.725,493 0.323,494 0.226,495 0.075,496 0.135,501 1.109,502 1.515,503 1.174,504 1.331,505 1.385,506 1.269,507 1.485,508 1.059,509 1.03,510 0.978,511 0.651,512 0.982,513 1.242,514 1.271,515 1.293,516 1.291,517 1.283,518 1.294,519 0.752,520 0.986,521 0.959,522 1,523 1.082,524 0.991,525 0.972,526 1.116,527 1.002,528 1.056,529 1.148,530 1.035,531 2.19,532 0.642,533 0.956,534 0.644,535 0.904,536 0.724,537 1.064,538 1.232,539 1.248,540 1.267,541 1.105,542 1.267,543 0.741,544 0.884,545 0.952,546 0.953,547 0.864,548 0.961,549 7.5,550 0.14,551 3.333,552 1.375,553 0.844,554 0.833,555 0.325,556 0.243,557 0.164,558 0.171,559 10648,560 15538,561 1.917,562 59.7,563 24,564 8,566 4,569 4,572 1.686,573 1.761,574 3.748,575 -0.916,582 75.454,583 1.126,584 2.557,585 3.401,586 3.587,587 3.67,588 3.67,589 3.143,590 3.143,591 4.731,592 4.027,593 1413.63,594 8.131,595 21107.4,600 406.428,601 1.64,602 4.646,603 0.268,604 0.008,605 0.085,606 0.038,607 0.029,608 0.038,609 0.015,610 0.012,611 0.009,612 0.01,613 0.512,614 0.5,615 0.88,616 0.936,617 141.546,618 0.156,619 -0.188,620 0.046,621 -0.071,622 -0.137,623 -0.027,624 -0.02,625 0.114,626 0.092,627 0.118,628 0.321,629 0.112,630 -0.169,631 -0.153,632 -0.219,633 -0.198,634 -0.155,635 -0.209,636 0.019,637 -0.046,638 -0.009,639 -0.029,640 -0.054,641 -0.022,642 0.056,643 -0.174,644 -0.042,645 -0.113,646 -0.146,647 -0.088,648 -0.261,649 0.329,650 0.045,651 0.211,652 -0.035,653 0.155,654 -0.142,655 -0.164,656 -0.212,657 -0.201,658 -0.222,659 -0.208,660 0.086,661 0.058,663 0.013,664 -0.033,665 0.004,666 1.01,667 0.321,668 0.444,669 30.299,670 0.97,671 1.133,672 4.643,673 21.559,674 0.619,675 3.367,676 3.689,677 3.761,678 3.829,679 3.97,680 4.025,681 3.932,682 3.638,683 3.611,684 3.611,685 8.852,686 0.553,687 368.67,688 3.367,689 4.905,690 5.694,691 6.55,692 7.358,693 8.214,694 9.03,695 9.887,696 10.707,697 11.565,698 3,708 2,715 8,720 2,721 2,722 12,741 67,743 12,745 28,747 68,748 25,749 10,756 2,757 2,763 6,764 2,770 5,772 10,773 15,793 40,796 2,802 2,803 2,808 1,822 2,829 2,859 2,864 6,868 27,876 7,882 2,901 15.333,902 13.667,903 5.833,904 4.486,907 1.993,908 1.296,909 0.903,910 7.881,911 8.722,912 3.555,913 4.078,914 4.494,915 4.911,916 5.39,917 5.43,918 5.426,919 4.906,920 4.899,921 4.921,922 1,923 36,924 10.031,926 3.956,927 0.026,929 7.29,931 20.367,933 16.526,936 1.79,937 48.333,941 470.844,942 150.301,943 3.798,948 150.301,949 470.844,950 3.798,951 52.951,952 16.884,953 37.905,954 50.883,955 42.561,957 423.76,959 470.844,960 154.099,964 423.76,965 47.084,968 106.025,969 44.276,970 3.798,972 470.844,973 3.798,974 150.301,977 470.844,978 23.255,979 130.844,982 470.844,983 3.798,984 150.301,986 0.59,987 0.302,988 0.132,989 0.069,990 16,991 8,992 0.147,993 10,995 1,996 4.011,997 196.164,999 12,1000 84.872,1005 21.918,1006 9.708,1007 7.637,1010 18.002,1015 2.818,1016 4.643,1018 624.943,1019 34,1031 64.992,1032 75.885,1034 0.186,1035 0.421,1036 0.561,1037 0.591,1038 0.605,1039 0.605,1040 4.804,1041 1.23,1042 5.746,1043 3.601,1044 4.369,1045 4.762,1047 6.569,1048 4.324,1049 6.02,1050 1,1051 7.338,1052 2.646,1053 4.29,1054 4.635,1056 7.941,1057 4.245,1058 7.339,1059 1,1060 9.061,1061 2.275,1062 6.084,1063 6.862,1065 10.831,1066 6.014,1067 8.697,1068 0.652,1069 10.865,1070 2.275,1071 6.781,1072 7.449,1074 12.96,1075 6.728,1076 10.087,1077 0.077,1078 12.72,1079 1.427,1080 8.165,1081 9.253,1083 15.531,1084 8.097,1085 11.499,1086 -0.323,1087 14.609,1088 0.175,1089 9.164,1090 10.16,1092 17.884,1093 9.117,1094 12.928,1095 -0.613,1096 16.519,1097 -0.745,1098 10.417,1099 11.769,1101 20.375,1102 10.363,1103 3.313,1104 -1,1105 18.445,1106 -1.364,1107 11.534,1108 12.846,1110 22.797,1111 11.495,1112 3.313,1113 11.657,1114 20.38,1115 -2.237,1116 12.744,1117 14.347,1119 25.264,1120 12.705,1121 2.501,1122 11.657,1123 22.323,1124 3.834,1125 13.908,1126 15.524,1128 27.709,1129 13.878,1130 2.495,1131 7.009,1132 24.271,1133 3.834,1134 15.107,1135 16.963,1137 30.168,1138 15.077,1139 1.838,1140 7.007,1141 26.223,1142 3.162,1143 16.289,1144 18.202,1146 32.62,1147 16.265,1148 1.676,1149 4.726,1150 28.177,1151 3.161,1152 17.485,1153 19.603,1155 35.078,1156 17.462,1157 1.58,1158 4.72,1159 30.133,1160 2.084,1161 18.676,1162 20.88,1164 37.532,1165 18.655,1166 10672,1167 12954,1168 17.564,1169 41.478,1170 41.93,1171 41.294,1172 41.223,1173 41.345,1174 41.349,1175 50.049,1177 118.351,1178 40.397,1179 5.379,1180 5.538,1181 6.974,1182 5.348,1183 5.313,1184 6.834,1186 18.533,1187 5.248,1188 17.56,1189 1.497,1190 1.475,1191 1.472,1192 1.477,1193 1.477,1194 1.787,1196 4.227,1197 1.443,1198 4.03,1199 4.08,1200 3.953,1201 3.918,1202 4.806,1203 3.92,1204 3.978,1205 4.025,1206 3.911,1207 3.872,1208 4.772,1209 3.875,1210 3.744,1211 3.806,1212 3.59,1213 3.63,1214 4.274,1215 3.612,1216 3.647,1217 3.717,1218 3.502,1219 3.497,1220 4.259,1221 3.49,1222 3.572,1223 3.646,1224 3.415,1225 3.42,1226 4.123,1227 3.41,1228 3.37,1229 3.446,1230 3.178,1231 3.236,1232 3.864,1233 3.212,1234 3.083,1235 3.171,1236 2.879,1237 2.913,1238 3.674,1239 2.893,1240 2.874,1241 3.009,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.159,1247 0.126,1248 0.254,1249 0.154,1250 0.118,1251 4.439,1252 0.137,1253 3.538,1255 7.111,1256 0.416,1257 4.312,1258 0.118,1259 3.313,1260 3.834,1262 11.657,1263 3.311,1264 1.965,1265 1.924,1266 2.111,1267 2.106,1268 1.407,1269 2.11,1270 1.958,1271 1.918,1272 2.096,1273 2.094,1274 1.302,1275 2.096,1276 1.769,1277 1.709,1278 2.011,1279 1.918,1280 1.271,1281 1.954,1282 1.65,1283 1.582,1284 1.897,1285 1.836,1286 1.169,1287 1.863,1288 1.57,1289 1.501,1290 1.814,1291 1.76,1292 0.973,1293 1.786,1294 1.403,1295 1.333,1296 1.686,1297 1.582,1298 0.847,1299 1.623,1300 1.11,1301 1.025,1302 1.446,1303 1.325,1304 0.681,1305 1.371,1306 0.934,1307 0.821,1308 1.417,1309 1.239,1310 0.469,1311 1.308,1312 4.043,1314 5.361,1316 6.851,1318 8.416,1320 10.019,1322 13.607,1328 8.783,1334 0.48,1340 37.052,1341 75.454,1342 171.309,1343 227.885,1344 240.35,1345 245.86,1346 245.86,1347 54.804,1348 6.729,1349 7.76,1350 7.76,1351 12,1352 12.125,1353 3.7,1354 2.807,1355 59.442,1356 148,1357 99,1358 0.191,1359 234.744,1360 403.34,1361 564.535,1362 8136,1364 19.916,1365 0.738,1366 0.688,1367 19.916,1368 18.569,1369 12.66,1370 0.452,1371 0.387,1372 10.788,1373 12.446,1374 10.196,1375 8.745,1376 12.66,1377 10.85,1378 12.512,1379 0.321,1380 0.261,1381 12.512,1382 10.162,1383 8.368,1384 0.199,1385 0.133,1386 8.368,1387 5.571,1388 6.031,1389 0.134,1390 0.078,1391 6.031,1392 3.531,1393 4.409,1394 0.085,1395 0.044,1396 4.409,1397 2.301,1398 0.324,1399 77.184,1400 0.239,1401 27.348,1402 0.465,1403 134,1404 206.666,1405 138.163,1406 215.97,1407 303.86,1408 202,1409 148,1410 232.507,1411 152.996,1412 247.194,1413 346.76,1414 228,1415 7.796}
{0 CHEMBL1642977,1 1.119,2 15.286,3 6.65,4 44.223,5 122.472,6 5.467,7 0.414,8 4.256,9 4.412,10 3.542,11 3.778,12 5.095,13 3.679,14 4.855,15 5.095,16 3.868,17 4.197,18 5.565,19 4.064,20 5.168,21 5.422,22 3.883,23 4.424,24 5.882,25 4.231,26 5.365,27 5.688,28 3.724,29 4.42,30 5.958,31 4.166,32 5.213,33 5.539,34 3.526,35 4.219,36 5.784,37 3.958,38 5.005,39 5.348,40 3.39,41 3.991,42 5.513,43 3.766,44 4.766,45 5.038,46 3.361,47 3.969,48 5.369,49 3.754,50 4.949,51 5.273,52 3.321,53 4.008,54 5.474,55 3.758,56 0.091,57 0.949,58 17.643,59 7.184,60 12.089,61 10.616,62 0.178,63 1.542,64 29.835,65 11.715,66 18.625,67 17.527,68 0.21,69 1.992,70 39.294,71 16.25,72 29.85,73 23.836,74 0.226,75 2.125,76 43.744,77 18.296,78 34.123,79 26.731,80 0.218,81 1.818,82 37.675,83 14.826,84 28.237,85 22.177,86 0.237,87 1.471,88 30.779,89 10.773,90 18.763,91 16.837,92 0.131,93 1.276,94 25.479,95 10.705,96 14.369,97 15.611,98 0.152,99 1.397,100 28.78,101 11.993,102 17.212,103 17.542,104 41,105 40,106 0.179,107 0.404,108 0.541,109 0.576,110 0.594,111 0.594,112 3.372,113 1.174,114 -6.08,115 -5.93,116 -5.51,121 37.1,122 6,123 6,125 2,127 2,144 4,145 2,147 4,176 17,187 22,189 6,200 15,203 4,214 6,216 4,227 7,229 8,239 8,241 2,251 14,253 2,264 14,277 14,280 1,281 1344,282 17.91,283 17.91,284 17.91,285 17.91,286 17.91,287 16.54,288 21.614,289 10.739,290 18.142,291 14.331,292 14.331,293 14.331,294 14.331,295 14.331,296 12.247,297 16.765,298 5.146,299 14.694,300 5.01,301 3.6,302 2.737,303 2.522,304 2.408,305 2.408,306 4.035,312 1,313 876,314 4.69,318 232.966,325 2.429,326 8.612,329 0.75,330 0.67,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.8,337 57,338 428,339 4.439,340 3.538,341 7.111,342 4.312,343 3.313,344 3.834,346 11.657,347 3.311,348 4.439,349 3.538,350 7.111,351 4.312,352 3.313,353 3.834,355 11.657,356 3.311,357 3.82,358 2.61,359 5.355,360 3.43,361 2.499,362 3.162,364 7.008,365 2.326,366 3.82,367 2.608,368 5.354,369 3.426,370 2.497,371 3.161,373 7.008,374 2.321,375 2.987,376 1.869,377 4.586,378 2.866,379 1.867,380 2.083,382 4.725,383 1.864,384 2.963,385 1.724,386 4.586,387 2.684,388 1.692,389 2.072,391 4.721,392 1.677,393 2.814,394 1.646,395 3.866,396 2.592,397 1.607,398 1.831,400 3.689,401 1.58,402 2.5,403 1.365,404 3.535,405 2.343,406 1.357,407 1.5,409 2.909,410 1.335,411 2.5,412 1,413 3.414,414 1.984,415 1,416 1.5,418 2.275,419 0.983,420 2.448,421 1,422 3.414,423 1.984,424 1,425 1.445,427 2.275,428 0.983,429 1.949,430 0.882,431 3.151,432 1.854,433 0.868,434 0.92,436 1.864,437 0.855,438 1.431,439 0.391,440 2.863,441 1.302,442 0.322,443 0.346,445 0.714,446 0.315,447 1.06,448 -0.011,449 2.709,450 0.836,451 -0.141,452 -0.158,454 -0.323,455 -0.137,456 0.809,457 -0.339,458 2.498,459 0.541,460 -0.446,461 -0.523,463 -1.009,464 -0.44,465 0.5,466 -0.663,467 2.099,468 0.246,469 -0.743,470 -0.856,472 -1.632,473 -0.734,474 13.8,475 0.493,476 0.926,477 0.033,478 26,479 0.929,480 10,481 0.357,482 16,483 0.571,484 33.761,485 1.206,486 33,487 0.471,488 15.219,489 0.544,490 3.935,491 0.141,492 9.225,493 0.329,494 0.217,495 0.072,496 0.13,501 1.115,502 1.515,503 1.185,504 1.337,505 1.38,506 1.278,507 1.481,508 1.077,509 1.048,510 1,511 0.659,512 1.003,513 1.231,514 1.258,515 1.278,516 1.276,517 1.267,518 1.279,519 0.757,520 0.987,521 0.96,522 1,523 1.078,524 0.991,525 0.97,526 1.111,527 1.001,528 1.053,529 1.137,530 1.033,531 2.139,532 0.66,533 0.956,534 0.663,535 0.892,536 0.738,537 1.041,538 1.212,539 1.227,540 1.246,541 1.074,542 1.245,543 0.829,544 0.941,545 0.953,546 0.965,547 0.861,548 0.964,549 7.5,550 0.14,551 3.333,552 1.375,553 0.844,554 0.833,555 0.325,556 0.243,557 0.189,558 0.131,559 12081,560 17487,561 1.919,562 60,563 26,564 8,566 4,569 4,572 1.696,573 1.768,574 3.826,575 -0.919,582 78.361,583 1.119,584 2.529,585 3.392,586 3.607,587 3.721,588 3.721,589 3.182,590 3.182,591 4.783,592 4.107,593 1552.32,594 8.233,595 24206,600 429.05,601 1.611,602 4.702,603 0.259,604 0.008,605 0.083,606 0.037,607 0.028,608 0.036,609 0.015,610 0.012,611 0.009,612 0.007,613 0.494,614 0.5,615 0.75,616 0.92,617 149.258,618 0.155,619 -0.181,620 0.045,621 -0.068,622 -0.125,623 -0.026,624 -0.022,625 0.098,626 0.079,627 0.101,628 0.315,629 0.096,630 -0.159,631 -0.144,632 -0.205,633 -0.185,634 -0.138,635 -0.195,636 0.018,637 -0.044,638 -0.009,639 -0.028,640 -0.049,641 -0.021,642 0.056,643 -0.167,644 -0.04,645 -0.108,646 -0.138,647 -0.084,648 -0.247,649 0.31,650 0.042,651 0.198,652 -0.03,653 0.145,654 -0.131,655 -0.152,656 -0.194,657 -0.184,658 -0.2,659 -0.191,660 -0.008,661 0.002,662 -0.001,663 0.001,664 -0.037,665 0.001,666 1.008,667 0.327,668 0.429,669 32.571,670 0.97,671 1.133,672 4.847,673 23.498,674 0.618,675 3.401,676 3.714,677 3.784,678 3.85,679 3.989,680 4.043,681 3.951,682 3.664,683 3.638,684 3.611,685 9.324,686 0.551,687 382.7,688 3.401,689 4.934,690 5.72,691 6.572,692 7.378,693 8.231,694 9.046,695 9.9,696 10.719,697 11.575,698 2.9,708 2,715 8,720 2,721 2,722 12,741 70,743 12,745 29,747 71,748 26,749 10,756 2,757 2,763 6,764 2,770 6,772 10,773 16,793 42,796 2,802 2,803 2,808 1,822 2,829 2,859 2,864 6,868 28,876 8,882 2,901 15.833,902 14.167,903 6.083,904 4.736,907 1.962,908 1.289,909 0.903,910 8.52,911 8.745,912 3.584,913 4.094,914 4.505,915 4.918,916 5.394,917 5.435,918 5.43,919 4.914,920 4.906,921 4.899,922 0.9,923 37,924 10.409,926 4.099,927 0.026,929 7.28,931 21.184,933 17.193,936 1.78,937 49.833,941 494.386,942 152.836,943 3.798,948 152.836,949 494.386,950 3.798,951 52.951,952 19.419,953 37.905,954 50.883,955 42.561,957 447.302,959 494.386,960 156.634,964 447.302,965 47.084,968 108.56,969 44.276,970 3.798,972 494.386,973 3.798,974 152.836,977 494.386,978 25.79,979 130.844,982 494.386,983 3.798,984 152.836,986 0.586,987 0.301,988 0.132,989 0.069,990 16,991 8,992 0.155,993 11,995 1,996 4.135,997 204.088,999 12,1000 79.387,1005 22.908,1006 10.414,1007 8.267,1010 18.033,1015 2.823,1016 4.653,1018 651.02,1019 35,1031 67.876,1032 79.301,1034 0.183,1035 0.413,1036 0.553,1037 0.588,1038 0.607,1039 0.607,1040 4.828,1041 1.357,1042 5.765,1043 3.689,1044 4.394,1045 4.779,1047 6.581,1048 4.351,1049 6.037,1050 1,1051 7.351,1052 2.909,1053 4.29,1054 4.635,1056 7.941,1057 4.245,1058 7.352,1059 1,1060 9.069,1061 2.275,1062 6.098,1063 6.868,1065 10.833,1066 6.028,1067 8.705,1068 0.868,1069 10.87,1070 2.275,1071 6.781,1072 7.449,1074 12.96,1075 6.728,1076 10.093,1077 0.322,1078 12.723,1079 1.864,1080 8.171,1081 9.255,1083 15.531,1084 8.103,1085 11.503,1086 -0.141,1087 14.61,1088 0.714,1089 9.164,1090 10.16,1092 17.884,1093 9.117,1094 12.931,1095 -0.446,1096 16.52,1097 -0.323,1098 10.419,1099 11.769,1101 20.375,1102 10.366,1103 3.313,1104 -0.743,1105 18.445,1106 -1.009,1107 11.534,1108 12.846,1110 22.797,1111 11.495,1112 3.313,1113 11.657,1114 20.38,1115 -1.632,1116 12.745,1117 14.347,1119 25.264,1120 12.706,1121 2.499,1122 11.657,1123 22.323,1124 3.834,1125 13.908,1126 15.524,1128 27.709,1129 13.878,1130 2.497,1131 7.008,1132 24.271,1133 3.834,1134 15.107,1135 16.963,1137 30.168,1138 15.077,1139 1.867,1140 7.008,1141 26.223,1142 3.162,1143 16.289,1144 18.202,1146 32.62,1147 16.265,1148 1.692,1149 4.725,1150 28.177,1151 3.161,1152 17.485,1153 19.603,1155 35.078,1156 17.462,1157 1.607,1158 4.721,1159 30.133,1160 2.083,1161 18.676,1162 20.88,1164 37.532,1165 18.655,1166 12080,1167 14596,1168 18.257,1169 43.239,1170 43.254,1171 42.553,1172 42.485,1173 42.675,1174 42.671,1175 51.374,1177 121.007,1178 41.717,1179 5.387,1180 5.538,1181 7.001,1182 5.348,1183 5.313,1184 6.834,1186 18.533,1187 5.256,1188 18.097,1189 1.492,1190 1.467,1191 1.465,1192 1.472,1193 1.471,1194 1.772,1196 4.173,1197 1.439,1198 4.03,1199 4.08,1200 3.953,1201 3.918,1202 4.806,1203 3.92,1204 3.98,1205 4.027,1206 3.912,1207 3.873,1208 4.773,1209 3.876,1210 3.758,1211 3.82,1212 3.602,1213 3.646,1214 4.272,1215 3.627,1216 3.658,1217 3.727,1218 3.512,1219 3.513,1220 4.261,1221 3.504,1222 3.592,1223 3.665,1224 3.439,1225 3.437,1226 4.149,1227 3.429,1228 3.43,1229 3.504,1230 3.243,1231 3.296,1232 3.918,1233 3.274,1234 3.178,1235 3.262,1236 2.971,1237 3.022,1238 3.682,1239 2.998,1240 2.904,1241 3.009,1242 2.703,1243 2.735,1244 3.674,1245 2.715,1246 0.153,1247 0.122,1248 0.245,1249 0.149,1250 0.114,1251 4.439,1252 0.132,1253 3.538,1255 7.111,1256 0.402,1257 4.312,1258 0.114,1259 3.313,1260 3.834,1262 11.657,1263 3.311,1264 1.964,1265 1.923,1266 2.112,1267 2.105,1268 1.418,1269 2.109,1270 1.959,1271 1.919,1272 2.097,1273 2.096,1274 1.31,1275 2.098,1276 1.783,1277 1.724,1278 2.024,1279 1.931,1280 1.277,1281 1.966,1282 1.665,1283 1.598,1284 1.914,1285 1.845,1286 1.205,1287 1.874,1288 1.588,1289 1.519,1290 1.832,1291 1.78,1292 1.02,1293 1.806,1294 1.458,1295 1.389,1296 1.729,1297 1.636,1298 0.883,1299 1.674,1300 1.21,1301 1.13,1302 1.533,1303 1.411,1304 0.755,1305 1.458,1306 0.934,1307 0.825,1308 1.417,1309 1.239,1310 0.531,1311 1.308,1312 4.078,1314 5.389,1316 6.872,1318 8.431,1320 10.031,1322 13.62,1328 10.22,1334 0.484,1340 38.579,1341 78.361,1342 177.057,1343 237.462,1344 252.481,1345 260.481,1346 260.481,1347 58.879,1348 6.782,1349 7.76,1350 7.76,1351 12,1352 12.136,1353 3.7,1354 2.807,1355 63.043,1356 162,1357 108,1358 0.184,1359 244.336,1360 420.64,1361 587.94,1362 8965,1364 20.623,1365 0.737,1366 0.688,1367 20.623,1368 19.276,1369 13.16,1370 0.454,1371 0.391,1372 11.288,1373 12.946,1374 10.686,1375 9.162,1376 13.16,1377 11.35,1378 12.866,1379 0.322,1380 0.263,1381 12.866,1382 10.515,1383 8.618,1384 0.2,1385 0.135,1386 8.618,1387 5.821,1388 6.207,1389 0.135,1390 0.081,1391 6.207,1392 3.708,1393 4.534,1394 0.086,1395 0.046,1396 4.534,1397 2.426,1398 0.314,1399 80.184,1400 0.234,1401 28.326,1402 0.444,1403 138,1404 210.666,1405 142.163,1406 220.131,1407 309.62,1408 206,1409 152,1410 236.507,1411 156.996,1412 251.355,1413 352.52,1414 232,1415 7.046}
{0 CHEMBL1642978,1 1.113,2 16.069,3 7.106,4 50.498,5 127.073,6 5.435,7 0.4,8 4.296,9 4.453,10 3.575,11 3.818,12 5.127,13 3.717,14 4.898,15 5.138,16 3.896,17 4.237,18 5.599,19 4.1,20 5.214,21 5.472,22 3.911,23 4.46,24 5.916,25 4.264,26 5.403,27 5.727,28 3.757,29 4.457,30 5.99,31 4.202,32 5.258,33 5.584,34 3.566,35 4.264,36 5.821,37 4.002,38 5.059,39 5.402,40 3.435,41 4.046,42 5.561,43 3.819,44 4.834,45 5.111,46 3.407,47 4.026,48 5.425,49 3.807,50 5.007,51 5.331,52 3.37,53 4.063,54 5.524,55 3.811,56 0.095,57 0.987,58 18.414,59 7.529,60 12.289,61 11.107,62 0.183,63 1.604,64 31.111,65 12.291,66 19.049,67 18.346,68 0.218,69 2.071,70 40.933,71 16.978,72 30.443,73 24.877,74 0.232,75 2.202,76 45.251,77 18.983,78 34.438,79 27.703,80 0.224,81 1.894,82 39.197,83 15.515,84 28.58,85 23.154,86 0.242,87 1.548,88 32.317,89 11.482,90 19.173,91 17.839,92 0.138,93 1.355,94 27.098,95 11.427,96 14.948,97 16.641,98 0.158,99 1.475,100 30.335,101 12.696,102 17.668,103 18.54,104 41,105 41,106 0.176,107 0.396,108 0.534,109 0.571,110 0.598,111 0.61,112 3.406,113 1.185,114 -6.28,115 -6.12,116 -5.68,121 37,122 6,123 7,125 2,127 2,144 4,145 2,147 4,176 18,187 23,189 6,200 16,203 4,214 7,216 4,227 8,229 8,239 9,241 2,251 14,253 2,264 14,266 2,277 14,281 1520,282 18.617,283 18.617,284 18.617,285 18.617,286 18.617,287 17.247,288 21.614,289 11.239,290 18.849,291 14.831,292 14.831,293 14.831,294 14.831,295 14.831,296 12.747,297 16.765,298 5.396,299 15.194,300 5.077,301 3.689,302 2.815,303 2.583,304 2.412,305 2.337,306 4.07,312 1,313 954,314 4.796,318 244.435,325 2.554,326 8.704,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 59,338 466,339 4.439,340 3.538,341 7.111,342 4.312,343 3.313,344 3.834,346 11.657,347 3.311,348 4.439,349 3.538,350 7.111,351 4.312,352 3.313,353 3.834,355 11.657,356 3.311,357 3.82,358 2.609,359 5.355,360 3.429,361 2.499,362 3.162,364 7.008,365 2.325,366 3.82,367 2.608,368 5.354,369 3.427,370 2.497,371 3.162,373 7.008,374 2.322,375 2.987,376 1.892,377 4.586,378 2.889,379 1.891,380 2.082,382 4.724,383 1.888,384 2.966,385 1.737,386 4.586,387 2.705,388 1.711,389 2.074,391 4.722,392 1.699,393 2.846,394 1.665,395 3.891,396 2.613,397 1.627,398 1.864,400 3.752,401 1.601,402 2.543,403 1.461,404 3.611,405 2.433,406 1.448,407 1.545,409 3.107,410 1.424,411 2.5,412 1.046,413 3.414,414 2.028,415 1.04,416 1.5,418 2.275,419 1.027,420 2.5,421 1,422 3.414,423 1.984,424 1,425 1.5,427 2.275,428 0.983,429 2.113,430 1,431 3.257,432 1.984,433 1,434 1.096,436 2.21,437 0.983,438 1.63,439 0.583,440 2.943,441 1.53,442 0.545,443 0.578,445 1.182,446 0.536,447 1.207,448 0.166,449 2.761,450 1.045,451 0.066,452 0.072,454 0.148,455 0.064,456 0.937,457 -0.17,458 2.604,459 0.688,460 -0.294,461 -0.335,463 -0.669,464 -0.288,465 0.671,466 -0.474,467 2.3,468 0.433,469 -0.558,470 -0.649,472 -1.236,473 -0.553,474 14.3,475 0.493,476 0.926,477 0.032,478 26.5,479 0.914,480 10,481 0.345,482 16.5,483 0.569,484 35.657,485 1.23,486 34.3,487 0.47,488 15.329,489 0.529,490 3.935,491 0.136,492 9.725,493 0.335,494 0.21,495 0.07,496 0.126,501 1.12,502 1.514,503 1.196,504 1.343,505 1.376,506 1.285,507 1.477,508 1.093,509 1.064,510 1.02,511 0.667,512 1.023,513 1.221,514 1.247,515 1.265,516 1.263,517 1.252,518 1.265,519 0.761,520 0.988,521 0.961,522 0.999,523 1.074,524 0.991,525 0.967,526 1.106,527 1,528 1.05,529 1.128,530 1.03,531 2.093,532 0.675,533 0.956,534 0.68,535 0.881,536 0.751,537 1.021,538 1.196,539 1.208,540 1.228,541 1.047,542 1.227,543 0.825,544 0.942,545 0.953,546 0.966,547 0.851,548 0.965,549 7.5,550 0.107,551 3.333,552 1.375,553 0.844,554 0.833,555 0.325,556 0.243,557 0.189,558 0.151,559 13630,560 19576,561 1.922,562 60.3,563 28,564 8,566 4,569 4,572 1.704,573 1.776,574 3.892,575 -0.922,582 81.26,583 1.113,584 2.501,585 3.375,586 3.607,587 3.778,588 3.853,589 3.289,590 3.289,591 4.834,592 4.182,593 1697.72,594 8.333,595 27597.7,600 451.857,601 1.582,602 4.757,603 0.25,604 0.006,605 0.081,606 0.036,607 0.027,608 0.035,609 0.014,610 0.011,611 0.009,612 0.008,613 0.477,614 0.5,615 0.75,616 0.904,617 157.028,618 0.154,619 -0.175,620 0.043,621 -0.066,622 -0.114,623 -0.025,624 -0.023,625 0.084,626 0.066,627 0.086,628 0.309,629 0.081,630 -0.151,631 -0.137,632 -0.193,633 -0.175,634 -0.122,635 -0.184,636 0.018,637 -0.043,638 -0.009,639 -0.027,640 -0.044,641 -0.02,642 0.056,643 -0.16,644 -0.039,645 -0.104,646 -0.131,647 -0.081,648 -0.235,649 0.293,650 0.04,651 0.187,652 -0.026,653 0.137,654 -0.121,655 -0.141,656 -0.178,657 -0.17,658 -0.182,659 -0.175,660 -0.007,661 0.002,663 0.002,664 -0.033,665 0.001,666 1.006,667 0.331,668 0.414,669 35.6,670 0.969,671 1.133,672 5.049,673 25.49,674 0.616,675 3.434,676 3.738,677 3.807,678 3.871,679 4.007,680 4.06,681 3.97,682 3.689,683 3.664,684 3.638,685 9.792,686 0.549,687 396.73,688 3.434,689 4.963,690 5.746,691 6.594,692 7.398,693 8.248,694 9.061,695 9.913,696 10.73,697 11.584,698 2.7,708 2,715 8,720 2,721 2,722 12,741 73,743 12,745 30,747 74,748 27,749 10,756 2,757 2,763 6,764 2,770 7,772 10,773 17,793 44,796 2,802 2,803 2,808 1,822 2,829 2,859 2,864 6,868 29,876 9,882 2,901 16.333,902 14.667,903 6.333,904 4.986,907 1.933,908 1.283,909 0.903,910 9.175,911 8.767,912 3.611,913 4.111,914 4.516,915 4.925,916 5.399,917 5.439,918 5.435,919 4.921,920 4.914,921 4.906,922 1,923 38,924 10.787,926 4.242,927 0.026,929 7.27,931 22,933 17.859,936 1.77,937 51.333,941 517.928,942 155.37,943 3.798,948 155.37,949 517.928,950 3.798,951 52.951,952 21.953,953 37.905,954 50.883,955 42.561,957 470.844,959 517.928,960 159.168,964 470.844,965 47.084,968 111.094,969 44.276,970 3.798,972 517.928,973 3.798,974 155.37,977 517.928,978 28.324,979 130.844,982 517.928,983 3.798,984 155.37,986 0.583,987 0.299,988 0.132,989 0.069,990 16,991 8,992 0.162,993 12,995 1,996 4.258,997 212.081,999 12,1000 85.662,1005 23.898,1006 11.134,1007 8.885,1010 18.059,1015 2.828,1016 4.662,1018 677.097,1019 36,1031 70.759,1032 82.716,1034 0.18,1035 0.404,1036 0.545,1037 0.583,1038 0.61,1039 0.623,1040 4.852,1041 1.448,1042 5.784,1043 3.752,1044 4.419,1045 4.796,1047 6.592,1048 4.376,1049 6.053,1050 1.04,1051 7.363,1052 3.107,1053 4.29,1054 4.635,1056 7.941,1057 4.245,1058 7.364,1059 1,1060 9.077,1061 2.275,1062 6.111,1063 6.875,1065 10.835,1066 6.042,1067 8.714,1068 1,1069 10.875,1070 2.275,1071 6.781,1072 7.449,1074 12.96,1075 6.728,1076 10.098,1077 0.545,1078 12.726,1079 2.21,1080 8.177,1081 9.257,1083 15.532,1084 8.109,1085 11.507,1086 0.066,1087 14.612,1088 1.182,1089 9.164,1090 10.16,1092 17.884,1093 9.117,1094 12.933,1095 -0.294,1096 16.521,1097 0.148,1098 10.421,1099 11.77,1101 20.375,1102 10.368,1103 3.313,1104 -0.558,1105 18.446,1106 -0.669,1107 11.534,1108 12.846,1110 22.797,1111 11.495,1112 3.313,1113 11.657,1114 20.381,1115 -1.236,1116 12.746,1117 14.347,1119 25.264,1120 12.706,1121 2.499,1122 11.657,1123 22.323,1124 3.834,1125 13.908,1126 15.524,1128 27.709,1129 13.878,1130 2.497,1131 7.008,1132 24.271,1133 3.834,1134 15.107,1135 16.963,1137 30.168,1138 15.077,1139 1.891,1140 7.008,1141 26.223,1142 3.162,1143 16.289,1144 18.202,1146 32.62,1147 16.265,1148 1.711,1149 4.724,1150 28.177,1151 3.162,1152 17.485,1153 19.603,1155 35.078,1156 17.462,1157 1.627,1158 4.722,1159 30.133,1160 2.082,1161 18.676,1162 20.88,1164 37.532,1165 18.655,1166 13602,1167 16364,1168 18.951,1169 45.001,1170 44.418,1171 43.817,1172 43.721,1173 43.903,1174 43.899,1175 52.599,1177 123.452,1178 42.946,1179 5.394,1180 5.538,1181 7.021,1182 5.348,1183 5.313,1184 6.834,1186 18.533,1187 5.263,1188 18.623,1189 1.481,1190 1.461,1191 1.457,1192 1.463,1193 1.463,1194 1.753,1196 4.115,1197 1.432,1198 4.03,1199 4.08,1200 3.953,1201 3.919,1202 4.806,1203 3.92,1204 3.981,1205 4.028,1206 3.912,1207 3.874,1208 4.773,1209 3.876,1210 3.77,1211 3.832,1212 3.613,1213 3.66,1214 4.272,1215 3.64,1216 3.669,1217 3.737,1218 3.522,1219 3.53,1220 4.262,1221 3.519,1222 3.607,1223 3.68,1224 3.456,1225 3.451,1226 4.17,1227 3.444,1228 3.476,1229 3.549,1230 3.295,1231 3.339,1232 3.963,1233 3.32,1234 3.257,1235 3.338,1236 3.053,1237 3.111,1238 3.743,1239 3.086,1240 3.002,1241 3.094,1242 2.793,1243 2.818,1244 3.674,1245 2.799,1246 0.148,1247 0.118,1248 0.237,1249 0.144,1250 0.11,1251 4.439,1252 0.128,1253 3.538,1255 7.111,1256 0.389,1257 4.312,1258 0.11,1259 3.313,1260 3.834,1262 11.657,1263 3.311,1264 1.964,1265 1.922,1266 2.111,1267 2.103,1268 1.427,1269 2.107,1270 1.96,1271 1.92,1272 2.099,1273 2.098,1274 1.321,1275 2.1,1276 1.795,1277 1.736,1278 2.034,1279 1.942,1280 1.28,1281 1.977,1282 1.68,1283 1.614,1284 1.932,1285 1.855,1286 1.231,1287 1.886,1288 1.602,1289 1.533,1290 1.847,1291 1.794,1292 1.067,1293 1.82,1294 1.499,1295 1.431,1296 1.762,1297 1.679,1298 0.918,1299 1.714,1300 1.291,1301 1.214,1302 1.601,1303 1.482,1304 0.806,1305 1.528,1306 1.026,1307 0.936,1308 1.417,1309 1.257,1310 0.631,1311 1.308,1312 4.111,1314 5.416,1316 6.893,1318 8.446,1320 10.042,1322 13.631,1328 11.666,1334 0.487,1340 40.106,1341 81.26,1342 182.579,1343 246.376,1344 263.315,1345 275.779,1346 281.289,1347 63.106,1348 6.834,1349 7.76,1350 7.76,1351 12,1352 12.147,1353 3.7,1354 2.807,1355 66.731,1356 176,1357 118,1358 0.178,1359 253.928,1360 437.94,1361 611.346,1362 9840,1364 21.33,1365 0.736,1366 0.689,1367 21.33,1368 19.983,1369 13.66,1370 0.455,1371 0.395,1372 11.788,1373 13.446,1374 11.176,1375 9.579,1376 13.66,1377 11.85,1378 13.22,1379 0.322,1380 0.265,1381 13.22,1382 10.869,1383 8.868,1384 0.202,1385 0.138,1386 8.868,1387 6.071,1388 6.384,1389 0.136,1390 0.083,1391 6.384,1392 3.885,1393 4.659,1394 0.086,1395 0.047,1396 4.659,1397 2.551,1398 0.305,1399 83.184,1400 0.23,1401 29.291,1402 0.426,1403 142,1404 214.666,1405 146.163,1406 224.293,1407 315.38,1408 210,1409 156,1410 240.507,1411 160.996,1412 255.517,1413 358.28,1414 236,1415 7.432}
{0 CHEMBL1642979,1 1.107,2 16.867,3 7.562,4 57.19,5 131.674,6 5.405,7 0.387,8 4.334,9 4.492,10 3.607,11 3.856,12 5.158,13 3.753,14 4.939,15 5.18,16 3.923,17 4.274,18 5.633,19 4.135,20 5.259,21 5.52,22 3.938,23 4.495,24 5.948,25 4.296,26 5.44,27 5.764,28 3.788,29 4.492,30 6.02,31 4.236,32 5.3,33 5.627,34 3.604,35 4.307,36 5.857,37 4.044,38 5.11,39 5.453,40 3.478,41 4.099,42 5.607,43 3.869,44 4.898,45 5.179,46 3.451,47 4.079,48 5.477,49 3.858,50 5.061,51 5.386,52 3.415,53 4.115,54 5.572,55 3.861,56 0.098,57 1.026,58 19.184,59 7.874,60 12.49,61 11.598,62 0.188,63 1.667,64 32.382,65 12.866,66 19.473,67 19.163,68 0.225,69 2.149,70 42.559,71 17.703,72 31.02,73 25.912,74 0.238,75 2.278,76 46.756,77 19.669,78 34.763,79 28.675,80 0.231,81 1.971,82 40.716,83 16.203,84 28.931,85 24.13,86 0.247,87 1.625,88 33.852,89 12.189,90 19.586,91 18.838,92 0.145,93 1.433,94 28.707,95 12.145,96 15.513,97 17.666,98 0.165,99 1.552,100 31.884,101 13.397,102 18.122,103 19.536,104 41,105 42,106 0.174,107 0.388,108 0.526,109 0.564,110 0.595,111 0.612,112 3.438,113 1.195,114 -6.48,115 -6.3,116 -5.85,121 36.8,122 6,123 8,125 2,127 2,144 4,145 2,147 4,176 19,187 24,189 6,200 17,203 4,214 8,216 4,227 9,229 8,239 10,241 2,251 15,253 2,264 14,266 2,277 14,279 2,281 1696,282 19.324,283 19.324,284 19.324,285 19.324,286 19.324,287 17.954,288 21.614,289 11.739,290 19.556,291 15.331,292 15.331,293 15.331,294 15.331,295 15.331,296 13.247,297 16.765,298 5.646,299 15.694,300 5.141,301 3.775,302 2.896,303 2.652,304 2.455,305 2.35,306 4.104,312 1,313 1036,314 4.899,318 255.894,325 2.693,326 8.782,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 61,338 506,339 4.439,340 3.538,341 7.111,342 4.312,343 3.313,344 3.834,346 11.657,347 3.311,348 4.439,349 3.538,350 7.111,351 4.312,352 3.313,353 3.834,355 11.657,356 3.311,357 3.82,358 2.609,359 5.355,360 3.428,361 2.498,362 3.162,364 7.008,365 2.324,366 3.82,367 2.609,368 5.355,369 3.427,370 2.498,371 3.162,373 7.008,374 2.323,375 2.988,376 1.909,377 4.586,378 2.908,379 1.909,380 2.081,382 4.724,383 1.906,384 2.968,385 1.752,386 4.586,387 2.728,388 1.732,389 2.075,391 4.723,392 1.724,393 2.87,394 1.68,395 3.91,396 2.63,397 1.642,398 1.888,400 3.798,401 1.62,402 2.616,403 1.531,404 3.671,405 2.497,406 1.511,407 1.62,409 3.258,410 1.487,411 2.5,412 1.181,413 3.414,414 2.166,415 1.177,416 1.5,418 2.485,419 1.163,420 2.5,421 1,422 3.414,423 1.984,424 1,425 1.5,427 2.275,428 0.983,429 2.245,430 1,431 3.351,432 1.984,433 1,434 1.235,436 2.275,437 0.983,438 1.808,439 0.757,440 3.034,441 1.725,442 0.737,443 0.775,445 1.572,446 0.727,447 1.376,448 0.342,449 2.815,450 1.258,451 0.276,452 0.294,454 0.604,455 0.27,456 1.055,457 -0.01,458 2.675,459 0.854,460 -0.126,461 -0.139,463 -0.284,464 -0.123,465 0.824,466 -0.307,467 2.452,468 0.576,469 -0.411,470 -0.473,472 -0.924,473 -0.405,474 14.8,475 0.493,476 0.926,477 0.031,478 27,479 0.9,480 10,481 0.333,482 17,483 0.567,484 37.574,485 1.252,486 35.6,487 0.468,488 15.434,489 0.514,490 3.935,491 0.131,492 10.225,493 0.341,494 0.203,495 0.068,496 0.122,501 1.125,502 1.514,503 1.206,504 1.349,505 1.373,506 1.293,507 1.474,508 1.108,509 1.08,510 1.039,511 0.674,512 1.041,513 1.211,514 1.236,515 1.253,516 1.251,517 1.238,518 1.253,519 0.765,520 0.988,521 0.962,522 0.999,523 1.071,524 0.991,525 0.965,526 1.102,527 0.999,528 1.047,529 1.119,530 1.029,531 2.052,532 0.689,533 0.956,534 0.695,535 0.872,536 0.762,537 1.005,538 1.181,539 1.192,540 1.213,541 1.024,542 1.211,543 0.821,544 0.944,545 0.953,546 0.966,547 0.842,548 0.966,549 7.5,550 0.124,551 3.333,552 1.375,553 0.844,554 0.833,555 0.325,556 0.243,557 0.189,558 0.151,559 15299,560 21809,561 1.925,562 60.5,563 30,564 8,566 4,569 4,572 1.713,573 1.782,574 3.962,575 -0.924,582 84.153,583 1.107,584 2.473,585 3.352,586 3.595,587 3.793,588 3.898,589 3.323,590 3.323,591 4.883,592 4.253,593 1849.9,594 8.429,595 31296.5,600 474.842,601 1.555,602 4.809,603 0.242,604 0.006,605 0.079,606 0.035,607 0.026,608 0.033,609 0.014,610 0.011,611 0.009,612 0.007,613 0.462,614 0.5,615 0.75,616 0.888,617 164.856,618 0.153,619 -0.169,620 0.042,621 -0.063,622 -0.104,623 -0.024,624 -0.025,625 0.071,626 0.055,627 0.072,628 0.303,629 0.068,630 -0.143,631 -0.131,632 -0.182,633 -0.165,634 -0.109,635 -0.173,636 0.018,637 -0.042,638 -0.008,639 -0.026,640 -0.04,641 -0.02,642 0.055,643 -0.154,644 -0.037,645 -0.1,646 -0.124,647 -0.077,648 -0.225,649 0.279,650 0.039,651 0.177,652 -0.023,653 0.13,654 -0.112,655 -0.132,656 -0.165,657 -0.158,658 -0.166,659 -0.162,660 -0.006,661 0.002,663 0.002,664 -0.029,665 0.001,666 1.005,667 0.334,668 0.4,669 38.702,670 0.969,671 1.133,672 5.247,673 27.531,674 0.615,675 3.466,676 3.761,677 3.829,678 3.892,679 4.025,680 4.078,681 3.989,682 3.714,683 3.689,684 3.664,685 10.258,686 0.548,687 410.76,688 3.466,689 4.99,690 5.771,691 6.616,692 7.418,693 8.265,694 9.075,695 9.926,696 10.741,697 11.594,698 2.6,708 2,715 8,720 2,721 2,722 12,741 76,743 12,745 31,747 77,748 28,749 10,756 2,757 2,763 6,764 2,770 8,772 10,773 18,793 46,796 2,802 2,803 2,808 1,822 2,829 2,859 2,864 6,868 30,876 10,882 2,901 16.833,902 15.167,903 6.583,904 5.236,907 1.905,908 1.277,909 0.903,910 9.843,911 8.79,912 3.638,913 4.127,914 4.527,915 4.933,916 5.403,917 5.443,918 5.439,919 4.928,920 4.921,921 4.914,922 0.909,923 39,924 11.165,926 4.385,927 0.026,929 7.261,931 22.817,933 18.526,936 1.761,937 52.833,941 541.471,942 157.905,943 3.798,948 157.905,949 541.471,950 3.798,951 52.951,952 24.488,953 37.905,954 50.883,955 42.561,957 494.386,959 541.471,960 161.703,964 494.386,965 47.084,968 113.629,969 44.276,970 3.798,972 541.471,973 3.798,974 157.905,977 541.471,978 30.859,979 130.844,982 541.471,983 3.798,984 157.905,986 0.581,987 0.297,988 0.131,989 0.069,990 16,991 8,992 0.169,993 13,995 1,996 4.379,997 220.138,999 12,1000 99.697,1005 24.889,1006 11.865,1007 9.544,1010 18.081,1015 2.832,1016 4.669,1018 703.174,1019 37,1031 73.643,1032 86.131,1034 0.177,1035 0.396,1036 0.537,1037 0.575,1038 0.607,1039 0.624,1040 4.875,1041 1.511,1042 5.802,1043 3.798,1044 4.443,1045 4.812,1047 6.603,1048 4.401,1049 6.07,1050 1.177,1051 7.376,1052 3.258,1053 4.29,1054 4.635,1056 7.941,1057 4.245,1058 7.376,1059 1,1060 9.085,1061 2.485,1062 6.125,1063 6.881,1065 10.837,1066 6.057,1067 8.722,1068 1,1069 10.879,1070 2.275,1071 6.781,1072 7.449,1074 12.96,1075 6.728,1076 10.104,1077 0.737,1078 12.729,1079 2.275,1080 8.182,1081 9.259,1083 15.532,1084 8.115,1085 11.511,1086 0.276,1087 14.614,1088 1.572,1089 9.164,1090 10.16,1092 17.884,1093 9.117,1094 12.936,1095 -0.126,1096 16.522,1097 0.604,1098 10.423,1099 11.77,1101 20.375,1102 10.37,1103 3.313,1104 -0.411,1105 18.446,1106 -0.284,1107 11.534,1108 12.846,1110 22.797,1111 11.495,1112 3.313,1113 11.657,1114 20.381,1115 -0.924,1116 12.747,1117 14.348,1119 25.264,1120 12.707,1121 2.498,1122 11.657,1123 22.323,1124 3.834,1125 13.908,1126 15.524,1128 27.709,1129 13.878,1130 2.498,1131 7.008,1132 24.271,1133 3.834,1134 15.107,1135 16.963,1137 30.168,1138 15.078,1139 1.909,1140 7.008,1141 26.223,1142 3.162,1143 16.289,1144 18.202,1146 32.62,1147 16.265,1148 1.732,1149 4.724,1150 28.177,1151 3.162,1152 17.485,1153 19.603,1155 35.078,1156 17.462,1157 1.642,1158 4.723,1159 30.133,1160 2.081,1161 18.676,1162 20.88,1164 37.532,1165 18.655,1166 15242,1167 18262,1168 19.644,1169 46.762,1170 45.743,1171 45.08,1172 44.973,1173 45.223,1174 45.213,1175 53.916,1177 126.09,1178 44.26,1179 5.4,1180 5.538,1181 7.036,1182 5.348,1183 5.313,1184 6.834,1186 18.533,1187 5.269,1188 19.141,1189 1.476,1190 1.454,1191 1.451,1192 1.459,1193 1.458,1194 1.739,1196 4.067,1197 1.428,1198 4.03,1199 4.08,1200 3.953,1201 3.919,1202 4.806,1203 3.92,1204 3.981,1205 4.029,1206 3.913,1207 3.874,1208 4.773,1209 3.877,1210 3.781,1211 3.842,1212 3.623,1213 3.671,1214 4.271,1215 3.651,1216 3.681,1217 3.748,1218 3.531,1219 3.546,1220 4.263,1221 3.533,1222 3.619,1223 3.692,1224 3.47,1225 3.464,1226 4.186,1227 3.457,1228 3.511,1229 3.585,1230 3.337,1231 3.371,1232 4,1233 3.355,1234 3.323,1235 3.402,1236 3.123,1237 3.184,1238 3.797,1239 3.159,1240 3.088,1241 3.178,1242 2.876,1243 2.918,1244 3.674,1245 2.896,1246 0.143,1247 0.114,1248 0.229,1249 0.139,1250 0.107,1251 4.439,1252 0.124,1253 3.538,1255 7.111,1256 0.376,1257 4.312,1258 0.107,1259 3.313,1260 3.834,1262 11.657,1263 3.311,1264 1.963,1265 1.922,1266 2.111,1267 2.103,1268 1.434,1269 2.107,1270 1.96,1271 1.92,1272 2.1,1273 2.099,1274 1.334,1275 2.101,1276 1.804,1277 1.745,1278 2.042,1279 1.952,1280 1.285,1281 1.987,1282 1.696,1283 1.631,1284 1.948,1285 1.865,1286 1.248,1287 1.897,1288 1.615,1289 1.546,1290 1.862,1291 1.806,1292 1.111,1293 1.833,1294 1.529,1295 1.461,1296 1.785,1297 1.712,1298 0.954,1299 1.744,1300 1.357,1301 1.283,1302 1.655,1303 1.542,1304 0.845,1305 1.586,1306 1.119,1307 1.033,1308 1.461,1309 1.335,1310 0.706,1311 1.383,1312 4.143,1314 5.442,1316 6.913,1318 8.461,1320 10.052,1322 13.641,1328 13.121,1334 0.489,1340 41.632,1341 84.153,1342 187.911,1343 254.764,1344 273.255,1345 288.274,1346 296.274,1347 67.468,1348 6.884,1349 7.76,1350 7.76,1351 12,1352 12.158,1353 3.7,1354 2.807,1355 70.506,1356 191,1357 128,1358 0.172,1359 263.521,1360 455.24,1361 634.751,1362 10762,1364 22.037,1365 0.735,1366 0.69,1367 22.037,1368 20.69,1369 14.16,1370 0.457,1371 0.398,1372 12.288,1373 13.946,1374 11.666,1375 9.995,1376 14.16,1377 12.35,1378 13.573,1379 0.323,1380 0.267,1381 13.573,1382 11.222,1383 9.118,1384 0.203,1385 0.14,1386 9.118,1387 6.321,1388 6.561,1389 0.137,1390 0.085,1391 6.561,1392 4.062,1393 4.784,1394 0.087,1395 0.049,1396 4.784,1397 2.676,1398 0.297,1399 86.184,1400 0.226,1401 30.241,1402 0.411,1403 146,1404 218.666,1405 150.163,1406 228.454,1407 321.14,1408 214,1409 160,1410 244.507,1411 164.996,1412 259.679,1413 364.04,1414 240,1415 7.921}
{0 CHEMBL1642980,1 1.102,2 17.645,3 8.019,4 64.298,5 136.275,6 5.377,7 0.375,8 4.372,9 4.529,10 3.639,11 3.892,12 5.187,13 3.789,14 4.979,15 5.221,16 3.949,17 4.311,18 5.666,19 4.168,20 5.301,21 5.566,22 3.964,23 4.529,24 5.98,25 4.328,26 5.475,27 5.8,28 3.818,29 4.526,30 6.049,31 4.269,32 5.341,33 5.668,34 3.64,35 4.348,36 5.891,37 4.084,38 5.159,39 5.502,40 3.519,41 4.149,42 5.651,43 3.916,44 4.959,45 5.243,46 3.494,47 4.131,48 5.527,49 3.906,50 5.112,51 5.438,52 3.459,53 4.164,54 5.617,55 3.909,56 0.102,57 1.064,58 19.952,59 8.219,60 12.692,61 12.089,62 0.193,63 1.73,64 33.65,65 13.439,66 19.895,67 19.977,68 0.232,69 2.228,70 44.174,71 18.424,72 31.582,73 26.941,74 0.244,75 2.355,76 48.26,77 20.355,78 35.096,79 29.646,80 0.237,81 2.047,82 42.232,83 16.89,84 29.287,85 25.105,86 0.253,87 1.701,88 35.383,89 12.894,90 20.001,91 19.835,92 0.152,93 1.511,94 30.306,95 12.861,96 16.067,97 18.687,98 0.171,99 1.63,100 33.428,101 14.097,102 18.575,103 20.529,104 41,105 43,106 0.171,107 0.38,108 0.517,109 0.556,110 0.59,111 0.614,112 3.47,113 1.205,114 -6.67,115 -6.49,116 -6.02,121 36.7,122 6,123 9,125 2,127 2,144 4,145 2,147 4,176 20,187 25,189 6,200 18,203 4,214 9,216 4,227 10,229 8,239 11,241 2,251 16,253 2,264 15,266 2,277 14,279 2,281 1902,282 20.032,283 20.032,284 20.032,285 20.032,286 20.032,287 18.661,288 21.614,289 12.239,290 20.263,291 15.831,292 15.831,293 15.831,294 15.831,295 15.831,296 13.747,297 16.765,298 5.896,299 16.194,300 5.202,301 3.86,302 2.978,303 2.728,304 2.513,305 2.355,306 4.136,312 1,313 1120,314 5,318 267.347,325 2.864,326 8.85,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 63,338 547,339 4.439,340 3.538,341 7.111,342 4.312,343 3.313,344 3.834,346 11.657,347 3.311,348 4.439,349 3.538,350 7.111,351 4.312,352 3.313,353 3.834,355 11.657,356 3.311,357 3.82,358 2.609,359 5.355,360 3.428,361 2.498,362 3.162,364 7.008,365 2.324,366 3.82,367 2.609,368 5.355,369 3.427,370 2.498,371 3.162,373 7.008,374 2.323,375 2.988,376 1.924,377 4.586,378 2.922,379 1.923,380 2.08,382 4.724,383 1.921,384 2.97,385 1.77,386 4.586,387 2.753,388 1.756,389 2.076,391 4.723,392 1.75,393 2.888,394 1.692,395 3.925,396 2.646,397 1.656,398 1.907,400 3.833,401 1.636,402 2.673,403 1.581,404 3.72,405 2.541,406 1.556,407 1.679,409 3.375,410 1.53,411 2.5,412 1.29,413 3.433,414 2.275,415 1.285,416 1.5,418 2.706,419 1.27,420 2.5,421 1,422 3.414,423 1.984,424 1,425 1.5,427 2.275,428 0.983,429 2.352,430 1,431 3.414,432 1.984,433 1,434 1.346,436 2.275,437 0.983,438 1.961,439 0.908,440 3.126,441 1.887,442 0.898,443 0.939,445 1.896,446 0.887,447 1.547,448 0.51,449 2.877,450 1.456,451 0.469,452 0.495,454 1.01,455 0.462,456 1.187,457 0.148,458 2.729,459 1.039,460 0.058,461 0.062,463 0.128,464 0.057,465 0.941,466 -0.155,467 2.562,468 0.714,469 -0.268,470 -0.301,472 -0.605,473 -0.263,474 15.3,475 0.494,476 0.926,477 0.03,478 27.5,479 0.887,480 10,481 0.323,482 17.5,483 0.565,484 39.509,485 1.274,486 36.9,487 0.467,488 15.535,489 0.501,490 3.935,491 0.127,492 10.725,493 0.346,494 0.196,495 0.065,496 0.118,501 1.131,502 1.513,503 1.215,504 1.354,505 1.37,506 1.3,507 1.471,508 1.121,509 1.094,510 1.056,511 0.682,512 1.058,513 1.203,514 1.226,515 1.242,516 1.24,517 1.226,518 1.242,519 0.769,520 0.989,521 0.962,522 0.999,523 1.069,524 0.991,525 0.963,526 1.098,527 0.998,528 1.045,529 1.112,530 1.027,531 2.014,532 0.702,533 0.956,534 0.709,535 0.864,536 0.772,537 0.991,538 1.169,539 1.178,540 1.199,541 1.004,542 1.197,543 0.818,544 0.945,545 0.953,546 0.967,547 0.834,548 0.966,549 7.5,550 0.124,551 3.333,552 1.375,553 0.844,554 0.833,555 0.325,556 0.243,557 0.189,558 0.151,559 17092,560 24190,561 1.927,562 60.8,563 32,564 8,566 4,569 4,572 1.721,573 1.788,574 4.023,575 -0.927,582 87.039,583 1.102,584 2.444,585 3.326,586 3.576,587 3.791,588 3.948,589 3.422,590 3.422,591 4.93,592 4.32,593 2008.89,594 8.522,595 35316.1,600 497.999,601 1.528,602 4.859,603 0.234,604 0.006,605 0.078,606 0.034,607 0.026,608 0.032,609 0.013,610 0.01,611 0.008,612 0.007,613 0.448,614 0.5,615 0.75,616 0.873,617 172.739,618 0.152,619 -0.164,620 0.041,621 -0.061,622 -0.095,623 -0.023,624 -0.027,625 0.059,626 0.044,627 0.06,628 0.297,629 0.056,630 -0.136,631 -0.125,632 -0.172,633 -0.156,634 -0.097,635 -0.164,636 0.018,637 -0.04,638 -0.008,639 -0.025,640 -0.036,641 -0.019,642 0.055,643 -0.148,644 -0.036,645 -0.096,646 -0.118,647 -0.074,648 -0.215,649 0.265,650 0.037,651 0.168,652 -0.02,653 0.123,654 -0.105,655 -0.124,656 -0.153,657 -0.147,658 -0.153,659 -0.151,660 -0.005,661 0.001,663 0.001,664 -0.026,665 0.001,666 1.004,667 0.337,668 0.387,669 41.873,670 0.969,671 1.133,672 5.442,673 29.62,674 0.614,675 3.497,676 3.784,677 3.85,678 3.912,679 4.043,680 4.094,681 4.007,682 3.738,683 3.714,684 3.689,685 10.722,686 0.546,687 424.79,688 3.497,689 5.017,690 5.796,691 6.637,692 7.437,693 8.281,694 9.09,695 9.938,696 10.752,697 11.603,698 2.5,708 2,715 8,720 2,721 2,722 12,741 79,743 12,745 32,747 80,748 29,749 10,756 2,757 2,763 6,764 2,770 9,772 10,773 19,793 48,796 2,802 2,803 2,808 1,822 2,829 2,859 2,864 6,868 31,876 11,882 2,901 17.333,902 15.667,903 6.833,904 5.486,907 1.878,908 1.271,909 0.903,910 10.525,911 8.812,912 3.664,913 4.143,914 4.538,915 4.94,916 5.408,917 5.448,918 5.443,919 4.935,920 4.928,921 4.921,922 1,923 40,924 11.543,926 4.527,927 0.026,929 7.253,931 23.633,933 19.193,936 1.753,937 54.333,941 565.013,942 160.439,943 3.798,948 160.439,949 565.013,950 3.798,951 52.951,952 27.022,953 37.905,954 50.883,955 42.561,957 517.928,959 565.013,960 164.237,964 517.928,965 47.084,968 116.163,969 44.276,970 3.798,972 565.013,973 3.798,974 160.439,977 565.013,978 33.393,979 130.844,982 565.013,983 3.798,984 160.439,986 0.578,987 0.296,988 0.131,989 0.069,990 16,991 8,992 0.175,993 14,995 1,996 4.5,997 228.258,999 12,1000 106.07,1005 25.88,1006 12.607,1007 10.189,1010 18.1,1015 2.835,1016 4.674,1018 729.25,1019 38,1031 76.526,1032 89.546,1034 0.175,1035 0.388,1036 0.528,1037 0.567,1038 0.601,1039 0.626,1040 4.898,1041 1.556,1042 5.82,1043 3.833,1044 4.466,1045 4.828,1047 6.613,1048 4.425,1049 6.086,1050 1.285,1051 7.388,1052 3.375,1053 4.29,1054 4.635,1056 7.941,1057 4.245,1058 7.388,1059 1,1060 9.093,1061 2.706,1062 6.138,1063 6.887,1065 10.839,1066 6.071,1067 8.73,1068 1,1069 10.884,1070 2.275,1071 6.781,1072 7.449,1074 12.96,1075 6.728,1076 10.11,1077 0.898,1078 12.731,1079 2.275,1080 8.188,1081 9.261,1083 15.532,1084 8.121,1085 11.515,1086 0.469,1087 14.615,1088 1.896,1089 9.164,1090 10.16,1092 17.884,1093 9.117,1094 12.939,1095 0.058,1096 16.523,1097 1.01,1098 10.425,1099 11.771,1101 20.375,1102 10.372,1103 3.313,1104 -0.268,1105 18.447,1106 0.128,1107 11.534,1108 12.846,1110 22.797,1111 11.495,1112 3.313,1113 11.657,1114 20.381,1115 -0.605,1116 12.747,1117 14.348,1119 25.264,1120 12.708,1121 2.498,1122 11.657,1123 22.324,1124 3.834,1125 13.908,1126 15.524,1128 27.709,1129 13.878,1130 2.498,1131 7.008,1132 24.271,1133 3.834,1134 15.108,1135 16.963,1137 30.168,1138 15.078,1139 1.923,1140 7.008,1141 26.223,1142 3.162,1143 16.289,1144 18.202,1146 32.62,1147 16.265,1148 1.756,1149 4.724,1150 28.177,1151 3.162,1152 17.486,1153 19.603,1155 35.078,1156 17.462,1157 1.656,1158 4.723,1159 30.133,1160 2.08,1161 18.676,1162 20.88,1164 37.532,1165 18.655,1166 17004,1167 20294,1168 20.337,1169 48.524,1170 46.915,1171 46.343,1172 46.232,1173 46.459,1174 46.448,1175 55.148,1177 128.551,1178 45.495,1179 5.404,1180 5.538,1181 7.047,1182 5.348,1183 5.313,1184 6.834,1186 18.533,1187 5.273,1188 19.651,1189 1.466,1190 1.448,1191 1.445,1192 1.452,1193 1.451,1194 1.723,1196 4.017,1197 1.422,1198 4.031,1199 4.081,1200 3.953,1201 3.92,1202 4.806,1203 3.921,1204 3.981,1205 4.029,1206 3.913,1207 3.874,1208 4.773,1209 3.877,1210 3.79,1211 3.852,1212 3.632,1213 3.68,1214 4.27,1215 3.66,1216 3.692,1217 3.758,1218 3.54,1219 3.563,1220 4.264,1221 3.548,1222 3.63,1223 3.702,1224 3.481,1225 3.476,1226 4.199,1227 3.468,1228 3.539,1229 3.612,1230 3.37,1231 3.396,1232 4.031,1233 3.381,1234 3.378,1235 3.455,1236 3.183,1237 3.242,1238 3.846,1239 3.218,1240 3.165,1241 3.251,1242 2.952,1243 3.006,1244 3.674,1245 2.981,1246 0.139,1247 0.111,1248 0.222,1249 0.135,1250 0.104,1251 4.439,1252 0.12,1253 3.538,1255 7.111,1256 0.364,1257 4.312,1258 0.103,1259 3.313,1260 3.834,1262 11.657,1263 3.311,1264 1.963,1265 1.922,1266 2.11,1267 2.102,1268 1.439,1269 2.106,1270 1.961,1271 1.92,1272 2.102,1273 2.1,1274 1.348,1275 2.102,1276 1.812,1277 1.753,1278 2.049,1279 1.959,1280 1.289,1281 1.994,1282 1.711,1283 1.647,1284 1.964,1285 1.875,1286 1.26,1287 1.909,1288 1.627,1289 1.559,1290 1.876,1291 1.816,1292 1.149,1293 1.843,1294 1.553,1295 1.484,1296 1.805,1297 1.738,1298 0.993,1299 1.769,1300 1.41,1301 1.338,1302 1.697,1303 1.591,1304 0.877,1305 1.633,1306 1.199,1307 1.117,1308 1.529,1309 1.404,1310 0.765,1311 1.452,1312 4.174,1314 5.468,1316 6.932,1318 8.476,1320 10.063,1322 13.65,1328 14.582,1334 0.491,1340 43.159,1341 87.039,1342 193.082,1343 262.72,1344 282.518,1345 299.456,1346 311.92,1347 71.984,1348 6.933,1349 7.76,1350 7.76,1351 12,1352 12.169,1353 3.7,1354 2.807,1355 74.368,1356 206,1357 139,1358 0.167,1359 273.113,1360 472.54,1361 658.156,1362 11732,1364 22.744,1365 0.734,1366 0.69,1367 22.744,1368 21.397,1369 14.66,1370 0.458,1371 0.402,1372 12.788,1373 14.446,1374 12.156,1375 10.412,1376 14.66,1377 12.85,1378 13.927,1379 0.324,1380 0.269,1381 13.927,1382 11.576,1383 9.368,1384 0.204,1385 0.143,1386 9.368,1387 6.571,1388 6.738,1389 0.138,1390 0.087,1391 6.738,1392 4.239,1393 4.909,1394 0.088,1395 0.05,1396 4.909,1397 2.801,1398 0.29,1399 89.184,1400 0.222,1401 31.179,1402 0.397,1403 150,1404 222.666,1405 154.163,1406 232.616,1407 326.9,1408 218,1409 164,1410 248.507,1411 168.996,1412 263.84,1413 369.8,1414 244,1415 7.585}
{0 CHEMBL1642981,1 1.282,2 11.261,3 4.017,4 16.132,5 95.221,6 5.934,7 0.5,8 4.005,9 4.149,10 3.374,11 3.499,12 4.942,13 3.43,14 4.579,15 4.804,16 3.73,17 3.912,18 5.411,19 3.823,20 4.819,21 5.017,22 3.753,23 4.152,24 5.695,25 4,26 5.119,27 5.435,28 3.567,29 4.122,30 5.811,31 3.898,32 4.861,33 5.167,34 3.314,35 3.832,36 5.542,37 3.61,38 4.589,39 4.93,40 3.184,41 3.53,42 5.192,43 3.371,44 4.281,45 4.494,46 3.231,47 3.499,48 5.165,49 3.375,50 4.545,51 4.839,52 3.059,53 3.49,54 5.264,55 3.33,56 0.067,57 0.725,58 13.206,59 5.126,60 11.05,61 7.545,62 0.311,63 1.147,64 23.074,65 8.187,66 21.685,67 12.234,68 0.154,69 1.472,70 28.812,71 11.748,72 28.769,73 16.973,74 0.31,75 1.606,76 36.614,77 13.728,78 41.595,79 20.209,80 0.224,81 1.267,82 28.504,83 9.867,84 30.145,85 15.134,86 0.258,87 0.984,88 22.06,89 5.907,90 18.643,91 10.162,92 0.126,93 0.789,94 16.943,95 6.115,96 18.92,97 8.909,98 0.32,99 0.817,100 21.321,101 6.938,102 28.362,103 9.931,104 41,105 35,106 0.217,107 0.453,108 0.527,109 0.527,110 0.527,111 0.527,112 3.186,113 1.053,114 -4.77,115 -4.69,116 -4.4,121 37.7,122 6,125 2,128 2,144 4,145 2,147 4,176 12,182 2,187 18,189 4,200 12,203 2,206 4,216 2,217 1,219 2,229 6,232 2,241 4,244 6,253 2,264 4,266 2,277 4,279 6,281 706,282 14.375,283 14.375,284 14.375,285 14.375,286 14.375,287 13.004,288 22.39,289 8.239,290 14.735,291 11.831,292 11.831,293 11.831,294 11.831,295 11.831,296 9.747,297 26.3,298 3.899,299 12.395,300 4.446,301 3.049,302 2.614,303 2.614,304 2.614,305 2.614,306 3.841,310 1,311 1,312 1,313 528,314 4.123,318 175.176,325 1.86,326 9.373,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 48,338 259,339 4.439,340 3.538,341 7.111,342 4.313,343 3.314,344 3.836,345 1.157,346 11.657,347 3.311,348 4.438,349 3.538,350 7.111,351 4.312,352 3.313,353 3.831,354 0.297,355 11.657,356 3.311,357 3.844,358 2.829,359 5.381,360 3.449,361 2.539,362 3.178,364 7.077,365 2.315,366 3.793,367 2.577,368 5.327,369 3.371,370 2.447,371 3.144,373 6.936,374 2.264,375 2.984,376 1.95,377 4.593,378 2.669,379 1.705,380 2.093,382 4.752,383 1.637,384 2.927,385 1.668,386 4.577,387 2.585,388 1.606,389 2.039,391 4.679,392 1.566,393 2.5,394 1.442,395 3.457,396 1.984,397 1.083,398 1.5,400 2.472,401 0.983,402 2.5,403 1,404 3.414,405 1.984,406 1,407 1.5,409 2.275,410 0.983,411 2.242,412 1,413 3.414,414 1.943,415 1,416 1.216,418 2.275,419 0.923,420 1.322,421 0.504,422 2.922,423 1.034,424 0.114,425 0.132,427 0.28,428 0.104,429 0.919,430 -0.167,431 2.721,432 0.566,433 -0.397,434 -0.488,436 -0.938,437 -0.381,438 0.5,439 -0.462,440 2.455,441 0.127,442 -0.799,443 -0.971,445 -1.843,446 -0.736,447 0.5,448 -1,449 2,451 -1,452 -1,454 -3,455 -0.946,456 0.487,457 -1,458 2,460 -1,461 -1,463 -3,464 -0.946,466 -1,467 2,469 -1,470 -1,472 -3,473 -1,474 11.133,475 0.484,476 0.926,477 0.04,478 24,479 1.043,480 10,481 0.435,482 14,483 0.609,484 23.326,485 1.014,486 26.667,487 0.503,488 15.886,489 0.691,490 4.331,491 0.188,492 6.328,493 0.275,494 0.269,495 0.09,496 0.162,501 0.953,502 1.577,503 1.045,504 1.346,505 1.258,506 1.223,507 1.396,508 0.79,509 0.932,510 0.731,511 0.932,512 0.782,513 0.881,514 1.521,515 1.357,516 1.558,517 1.101,518 1.505,519 0.945,520 0.896,521 0.907,522 0.941,523 1.032,524 0.928,525 1.048,526 1.243,527 0.996,528 1.113,529 1.171,530 1.065,531 1.555,532 0.572,533 0.873,534 0.483,535 0.735,536 0.569,537 1.563,538 1.422,539 1.247,540 1.436,541 1.05,542 1.332,543 3.258,544 0.495,545 1.055,546 0.481,547 2.402,548 0.612,549 7.5,550 0.165,551 3.333,552 1.375,553 0.764,554 0.889,555 0.366,556 0.181,557 0.18,558 0.263,559 5996,560 9998,561 1.902,562 56.6,563 18,564 4,565 4,566 4,572 1.646,573 1.725,574 3.41,575 -0.858,577 1,582 67.935,583 1.282,584 2.679,585 3.113,586 3.113,587 3.113,588 3.113,589 2.806,590 2.806,591 4.497,592 3.656,593 925.078,594 7.684,595 11372,597 1,599 1,600 303.58,601 1.76,602 4.397,603 0.313,604 0.01,605 0.095,606 0.043,607 0.031,608 0.049,609 0.02,610 0.01,611 0.011,612 0.019,613 0.601,614 0.5,615 1,616 1.009,617 111.308,618 0.085,619 -0.28,620 0.063,621 -0.133,622 -0.196,623 -0.053,624 0.119,625 0.362,626 0.161,627 0.317,628 0.204,629 0.252,630 -0.061,631 -0.357,632 -0.324,633 -0.411,634 -0.116,635 -0.39,636 0.051,637 0.004,638 0.046,639 0.002,640 0.029,641 0.02,642 0.033,643 -0.321,644 -0.027,645 -0.181,646 -0.124,647 -0.124,648 -0.145,649 0.421,650 0.148,651 0.311,652 0.091,653 0.273,654 0.02,655 -0.323,656 -0.168,657 -0.373,658 0.245,659 -0.291,660 -0.429,661 0.327,662 0.031,663 0.398,664 -0.375,665 0.261,666 1.065,667 2.283,668 0.522,669 21.656,670 0.979,671 1.132,672 3.544,673 12.56,674 0.625,675 3.219,676 3.584,677 3.664,678 3.738,679 3.892,680 3.97,681 3.892,682 3.611,683 3.714,684 3.97,685 6.936,686 0.569,687 314.52,688 3.219,689 4.779,690 5.58,691 6.454,692 7.273,693 8.143,694 8.968,695 9.836,696 10.664,697 11.53,698 3.8,708 2,715 8,720 2,721 2,722 12,741 53,743 12,745 24,747 54,748 20,749 10,756 2,757 2,763 6,764 2,772 10,773 10,790 1,793 30,794 1,796 3,802 2,803 2,808 1,809 1,822 2,829 2,858 1,859 2,864 6,868 23,876 2,878 1,882 2,893 1.9,897 1,901 13.333,902 11.333,903 4.833,904 3.153,907 2.13,908 1.328,909 0.897,910 5.457,911 8.625,912 3.434,913 4.007,914 4.449,915 4.881,916 5.371,917 5.43,918 5.469,919 5.114,920 5.455,921 6.019,922 1,923 32,924 8.499,926 3.371,927 0.026,929 7.428,931 16.819,933 13.399,936 1.928,937 44.333,938 0.001,940 1,941 353.133,942 141.744,943 3.798,945 11,948 141.744,949 364.133,950 3.798,951 52.951,952 8.327,953 37.905,954 61.882,955 42.561,956 47.084,957 258.964,959 353.133,960 145.542,961 11,964 353.133,966 11,968 97.468,969 44.276,970 3.798,972 353.133,973 14.798,974 141.744,977 353.133,978 14.698,979 130.844,981 11,982 353.133,983 14.798,984 141.744,986 0.605,987 0.311,988 0.132,989 0.068,990 16,991 8,992 0.111,993 6,995 1,996 3.5,997 165.293,999 12,1000 64.532,1005 17.931,1006 7,1007 5.312,1009 11,1010 16.955,1015 2.668,1016 4.11,1018 509.675,1019 30,1031 51.901,1032 60.019,1034 0.224,1035 0.468,1036 0.544,1037 0.544,1038 0.544,1039 0.544,1040 4.7,1041 1,1042 5.666,1043 2.472,1044 4.263,1045 4.691,1046 1.349,1047 6.524,1048 4.191,1049 5.949,1050 1,1051 7.284,1052 2.275,1053 4.29,1054 4.635,1056 7.941,1057 4.245,1058 7.289,1059 0.114,1060 9.027,1061 2.275,1062 6.028,1063 6.837,1064 1.527,1065 10.824,1066 5.932,1067 8.662,1068 -0.397,1069 10.845,1070 0.28,1071 6.781,1072 7.449,1074 12.96,1075 6.725,1076 10.063,1077 -0.799,1078 12.709,1079 -0.938,1080 8.142,1081 9.246,1082 1.759,1083 15.53,1084 8.059,1085 11.483,1086 -1,1087 14.603,1088 -1.843,1089 9.164,1090 10.16,1092 17.884,1093 9.113,1094 12.917,1095 -1,1096 16.516,1097 -3,1098 10.408,1099 11.767,1100 2.006,1101 20.375,1102 10.346,1103 3.314,1104 -1,1105 18.443,1106 -3,1107 11.534,1108 12.846,1110 22.797,1111 11.492,1112 3.313,1113 11.657,1114 20.379,1115 -3,1116 12.741,1117 14.347,1118 2.263,1119 25.264,1120 12.697,1121 2.539,1122 11.657,1123 22.322,1124 3.836,1125 13.908,1126 15.524,1128 27.709,1129 13.875,1130 2.447,1131 7.077,1132 24.271,1133 3.831,1134 15.106,1135 16.963,1136 2.529,1137 30.168,1138 15.073,1139 1.705,1140 6.936,1141 26.223,1142 3.178,1143 16.29,1144 18.202,1146 32.62,1147 16.263,1148 1.606,1149 4.752,1150 28.177,1151 3.144,1152 17.485,1153 19.603,1154 2.801,1155 35.078,1156 17.46,1157 1.083,1158 4.679,1159 30.133,1160 2.093,1161 18.676,1162 20.88,1164 37.532,1165 18.654,1166 6100,1167 7974,1168 14.792,1169 33.126,1170 36.979,1171 36.86,1172 36.28,1173 36.118,1174 36.241,1175 44.938,1176 2.909,1177 108.121,1178 34.79,1179 5.308,1180 5.538,1181 6.661,1182 5.402,1183 5.314,1184 6.836,1185 2.315,1186 18.533,1187 5.247,1188 15.305,1189 1.541,1190 1.536,1191 1.512,1192 1.505,1193 1.51,1194 1.872,1195 0.121,1196 4.505,1197 1.45,1198 4.025,1199 4.07,1200 3.956,1201 3.907,1202 4.871,1203 3.911,1204 3.958,1205 4.002,1206 3.892,1207 3.859,1208 4.76,1209 3.861,1210 3.652,1211 3.716,1212 3.518,1213 3.474,1214 4.459,1215 3.476,1216 3.593,1217 3.666,1218 3.449,1219 3.436,1220 4.243,1221 3.43,1222 3.249,1223 3.298,1224 3.093,1225 3.013,1226 4.177,1227 3.026,1228 2.925,1229 3.013,1230 2.753,1231 2.735,1232 3.674,1233 2.722,1234 2.874,1235 3.009,1236 2.687,1237 2.735,1238 3.674,1239 2.715,1240 2.874,1241 3.009,1242 2.687,1243 2.725,1244 3.561,1245 2.715,1246 0.185,1247 0.147,1248 0.296,1249 0.18,1250 0.138,1251 4.439,1252 0.16,1253 3.538,1254 0.048,1255 7.111,1256 0.486,1257 4.313,1258 0.138,1259 3.314,1260 3.836,1261 1.157,1262 11.657,1263 3.311,1264 1.958,1265 1.919,1266 2.092,1267 2.107,1268 1.285,1269 2.101,1270 1.942,1271 1.904,1272 2.081,1273 2.069,1274 1.281,1275 2.073,1276 1.628,1277 1.563,1278 1.863,1279 1.837,1280 1.004,1281 1.854,1282 1.589,1283 1.521,1284 1.826,1285 1.786,1286 0.947,1287 1.808,1288 1.19,1289 1.136,1290 1.468,1291 1.454,1292 0.608,1293 1.461,1294 0.934,1295 0.832,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.934,1301 0.821,1302 1.417,1303 1.239,1304 0.469,1305 1.308,1306 0.934,1307 0.821,1308 1.417,1309 1.239,1310 0.469,1311 1.308,1312 3.892,1314 5.242,1316 6.763,1318 8.352,1320 9.973,1322 13.34,1328 1.108,1330 5.783,1334 0.37,1340 30.133,1341 67.935,1342 141.963,1343 165.011,1344 165.011,1345 165.011,1346 165.011,1347 38.767,1348 6.495,1349 16.99,1350 16.99,1351 12,1352 12.084,1353 3.7,1354 2.807,1355 45.916,1356 98,1357 67,1358 0.231,1359 190.778,1360 325.63,1361 457.259,1362 5260,1364 17.088,1365 0.743,1366 0.671,1367 17.088,1368 15.441,1369 10.66,1370 0.444,1371 0.351,1372 8.326,1373 10.326,1374 7.782,1375 6.695,1376 10.66,1377 8.427,1378 11.098,1379 0.317,1380 0.24,1381 11.098,1382 8.387,1383 7.368,1384 0.194,1385 0.11,1386 7.368,1387 4.177,1388 5.329,1389 0.13,1390 0.061,1391 5.329,1392 2.489,1393 3.88,1394 0.081,1395 0.032,1396 3.88,1397 1.534,1398 0.379,1399 66.184,1400 0.26,1401 23.268,1402 0.59,1403 118,1404 234.401,1405 125.263,1406 233.026,1407 320.5,1408 218,1409 132,1410 236.143,1411 140.318,1412 250.406,1413 353.48,1414 228,1415 4.921}
{0 CHEMBL1642982,1 1.254,2 12.88,3 4.052,4 16.418,5 105.602,6 5.806,7 0.462,8 4.105,9 4.252,10 3.451,11 3.6,12 5.014,13 3.524,14 4.688,15 4.916,16 3.79,17 4.006,18 5.482,19 3.909,20 4.954,21 5.173,22 3.806,23 4.247,24 5.78,25 4.085,26 5.186,27 5.494,28 3.644,29 4.241,30 5.859,31 4.007,32 5.035,33 5.355,34 3.423,35 3.963,36 5.692,37 3.734,38 4.714,39 5.046,40 3.245,41 3.658,42 5.309,43 3.489,44 4.407,45 4.628,46 3.229,47 3.68,48 5.128,49 3.505,50 4.749,51 5.069,52 3.269,53 3.695,54 5.409,55 3.492,56 0.077,57 0.802,58 14.81,59 5.816,60 11.54,61 8.541,62 0.216,63 1.276,64 25.617,65 9.198,66 20.309,67 13.788,68 0.338,69 1.634,70 33.062,71 13.006,72 32.136,73 18.95,74 0.221,75 1.763,76 38.377,77 15.413,78 38.504,79 22.546,80 0.28,81 1.45,82 33.393,83 11.471,84 35.447,85 17.521,86 0.327,87 1.075,88 24.751,89 7.201,90 20.659,91 11.614,92 0.095,93 0.936,94 18.73,95 7.6,96 12.038,97 11.078,98 0.197,99 1.079,100 25.05,101 8.734,102 25.646,103 13.178,104 41,105 37,106 0.207,107 0.447,108 0.557,109 0.557,110 0.557,111 0.557,112 3.265,113 1.088,114 -4.4,115 -4.34,116 -4.09,121 37.3,122 6,125 2,127 4,144 4,145 2,147 4,176 12,187 18,189 4,194 2,200 12,203 2,216 2,219 4,229 6,232 2,242 1,244 2,256 6,266 4,279 2,281 926,282 15.789,283 15.789,284 15.789,285 15.789,286 15.789,287 14.418,288 22.39,289 9.239,290 16.18,291 12.831,292 12.831,293 12.831,294 12.831,295 12.831,296 10.747,297 19.849,298 4.396,299 13.417,300 4.628,301 3.182,302 2.518,303 2.518,304 2.518,305 2.518,306 3.923,311 1,312 1,313 658,314 4.359,318 198.432,325 2.054,326 10.915,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 52,338 322,339 4.439,340 3.538,341 7.111,342 4.312,343 3.313,344 3.834,345 0.86,346 11.657,347 3.311,348 4.439,349 3.538,350 7.111,351 4.312,352 3.313,353 3.834,355 11.657,356 3.311,357 3.824,358 2.684,359 5.357,360 3.434,361 2.509,362 3.164,364 7.015,365 2.321,366 3.815,367 2.602,368 5.352,369 3.414,370 2.486,371 3.159,373 7.001,374 2.306,375 2.985,376 2.22,377 4.588,378 2.713,379 1.766,380 2.088,382 4.733,383 1.675,384 2.95,385 1.697,386 4.584,387 2.63,388 1.645,389 2.061,391 4.712,392 1.616,393 2.614,394 1.631,395 3.709,396 2.366,397 1.461,398 1.622,400 3.276,401 1.304,402 2.5,403 1.018,404 3.414,405 1.984,406 1,407 1.5,409 2.275,410 0.983,411 2.5,412 1,413 3.414,414 1.984,415 1,416 1.5,418 2.275,419 0.983,420 1.928,421 1,422 3.191,423 1.764,424 0.813,425 0.884,427 1.805,428 0.768,429 1.269,430 0.337,431 2.847,432 1.019,433 0.092,434 0.103,436 0.215,437 0.084,438 0.926,439 -0.048,440 2.683,441 0.603,442 -0.357,443 -0.426,445 -0.834,446 -0.339,447 0.574,448 -0.537,449 2.393,450 0.282,451 -0.687,452 -0.821,454 -1.542,455 -0.666,456 0.5,457 -0.775,458 2,460 -1,461 -1,463 -2.784,464 -0.946,465 0.5,466 -1,467 2,469 -1,470 -1,472 -3,473 -0.946,474 12.133,475 0.485,476 0.926,477 0.037,478 25,479 1,480 10,481 0.4,482 15,483 0.6,484 26.68,485 1.067,486 29.267,487 0.496,488 16.382,489 0.655,490 4.433,491 0.177,492 7.227,493 0.289,494 0.247,495 0.082,496 0.148,501 0.959,502 1.571,503 1.079,504 1.359,505 1.243,506 1.247,507 1.609,508 0.96,509 0.984,510 0.853,511 0.989,512 0.865,513 1.136,514 1.253,515 1.367,516 1.322,517 1.35,518 1.357,519 0.531,520 1.084,521 0.921,522 1.103,523 0.853,524 1.053,525 1.227,526 1.089,527 0.961,528 1.008,529 1.14,530 0.973,531 2.028,532 0.446,533 0.971,534 0.478,535 1.11,536 0.601,537 0.728,538 1.593,539 1.306,540 1.568,541 1.036,542 1.496,543 1.083,544 0.995,545 0.822,546 0.949,547 0.687,548 0.876,549 7.5,550 0.115,551 3.333,552 1.375,553 0.844,554 0.833,555 0.284,556 0.274,557 0.214,558 0.111,559 8114,560 13228,561 1.91,562 57.6,563 18,564 12,566 4,572 1.667,573 1.744,574 3.588,575 -0.869,577 1,582 73.995,583 1.254,584 2.701,585 3.365,586 3.365,587 3.365,588 3.365,589 2.983,590 2.983,591 4.619,592 3.854,593 1156.22,594 7.915,595 15735.1,597 1,599 1,600 347.076,601 1.699,602 4.527,603 0.288,604 0.007,605 0.09,606 0.04,607 0.031,608 0.042,609 0.015,610 0.015,611 0.012,612 0.006,613 0.547,614 0.5,615 1,616 0.971,617 126.302,618 0.09,619 -0.256,620 0.059,621 -0.121,622 -0.158,623 -0.048,624 -0.11,625 0.196,626 0.12,627 0.211,628 0.141,629 0.187,630 -0.008,631 -0.101,632 -0.301,633 -0.213,634 -0.225,635 -0.271,636 0.093,637 -0.153,638 0.01,639 -0.112,640 0.056,641 -0.065,642 0.029,643 -0.184,644 0.013,645 -0.102,646 -0.02,647 -0.056,648 -0.195,649 0.525,650 0.072,651 0.331,652 -0.039,653 0.244,654 0.005,655 -0.468,656 -0.282,657 -0.439,658 -0.205,659 -0.392,660 0.143,661 -0.096,662 0.148,663 -0.039,664 0.354,665 0.045,666 1.046,667 2.295,668 0.48,669 25.888,670 0.977,671 1.133,672 3.174,673 10.073,674 0.621,675 3.296,676 3.638,677 3.714,678 3.784,679 3.932,680 3.989,681 3.892,682 3.611,683 3.611,684 3.611,685 7.9,686 0.562,687 342.58,688 3.296,689 4.844,690 5.638,691 6.503,692 7.317,693 8.179,694 8.999,695 9.861,696 10.684,697 11.546,698 3.4,708 2,715 8,720 2,721 2,722 12,741 59,743 12,745 26,747 60,748 22,749 10,756 2,757 2,763 6,764 2,772 10,773 12,790 1,793 34,794 1,796 3,802 2,803 2,808 1,809 1,822 2,829 2,858 1,859 2,864 6,868 25,876 4,878 1,882 2,893 1.7,897 1,901 14.333,902 12.333,903 5.333,904 3.653,907 2.058,908 1.311,909 0.897,910 6.615,911 8.674,912 3.497,913 4.043,914 4.472,915 4.896,916 5.38,917 5.422,918 5.417,919 4.921,920 4.984,921 5.114,922 1,923 34,924 9.258,926 3.657,927 0.026,929 7.393,931 18.452,933 14.732,936 1.893,937 47.333,939 1,940 1,941 400.217,942 146.813,943 3.798,945 11,948 146.813,949 411.217,950 3.798,951 52.951,952 13.396,953 37.905,954 61.882,955 42.561,957 353.133,959 400.217,960 150.611,961 11,964 400.217,966 11,968 102.537,969 44.276,970 3.798,972 400.217,973 14.798,974 146.813,977 400.217,978 19.767,979 130.844,981 11,982 400.217,983 14.798,984 146.813,986 0.597,987 0.307,988 0.132,989 0.069,990 16,991 8,992 0.133,993 8,995 1,996 3.759,997 180.543,999 12,1000 74.587,1005 19.903,1006 8.309,1007 6.428,1009 11,1010 17.375,1015 2.722,1016 4.362,1018 561.829,1019 32,1031 57.669,1032 66.849,1034 0.213,1035 0.459,1036 0.572,1037 0.572,1038 0.572,1039 0.572,1040 4.754,1041 1,1042 5.707,1043 3.276,1044 4.317,1045 4.727,1046 0.908,1047 6.547,1048 4.248,1049 5.985,1050 1,1051 7.311,1052 2.275,1053 4.29,1054 4.635,1056 7.941,1057 4.245,1058 7.314,1059 0.813,1060 9.044,1061 2.275,1062 6.057,1063 6.85,1064 0.739,1065 10.827,1066 5.963,1067 8.68,1068 0.092,1069 10.855,1070 1.805,1071 6.781,1072 7.449,1074 12.96,1075 6.728,1076 10.075,1077 -0.357,1078 12.715,1079 0.215,1080 8.154,1081 9.249,1082 0.593,1083 15.531,1084 8.074,1085 11.491,1086 -0.687,1087 14.606,1088 -0.834,1089 9.164,1090 10.16,1092 17.884,1093 9.116,1094 12.923,1095 -1,1096 16.518,1097 -1.542,1098 10.413,1099 11.768,1100 0.469,1101 20.375,1102 10.354,1103 3.313,1104 -1,1105 18.444,1106 -2.784,1107 11.534,1108 12.846,1110 22.797,1111 11.495,1112 3.313,1113 11.657,1114 20.38,1115 -3,1116 12.743,1117 14.347,1118 0.366,1119 25.264,1120 12.701,1121 2.509,1122 11.657,1123 22.323,1124 3.834,1125 13.908,1126 15.524,1128 27.709,1129 13.877,1130 2.486,1131 7.015,1132 24.271,1133 3.834,1134 15.106,1135 16.963,1136 0.283,1137 30.168,1138 15.075,1139 1.766,1140 7.001,1141 26.223,1142 3.164,1143 16.289,1144 18.202,1146 32.62,1147 16.264,1148 1.645,1149 4.733,1150 28.177,1151 3.159,1152 17.485,1153 19.603,1154 0.217,1155 35.078,1156 17.461,1157 1.461,1158 4.712,1159 30.133,1160 2.088,1161 18.676,1162 20.88,1164 37.532,1165 18.655,1166 8182,1167 10536,1168 16.178,1169 36.648,1170 39.45,1171 39.248,1172 38.741,1173 38.711,1174 38.797,1175 47.496,1176 1.72,1177 113.243,1178 37.324,1179 5.354,1180 5.538,1181 6.881,1182 5.382,1183 5.313,1184 6.834,1185 1.72,1186 18.533,1187 5.247,1188 16.457,1189 1.517,1190 1.51,1191 1.49,1192 1.489,1193 1.492,1194 1.827,1195 0.066,1196 4.356,1197 1.436,1198 4.025,1199 4.072,1200 3.952,1201 3.911,1202 4.825,1203 3.914,1204 3.973,1205 4.019,1206 3.906,1207 3.869,1208 4.77,1209 3.871,1210 3.675,1211 3.736,1212 3.537,1213 3.505,1214 4.53,1215 3.504,1216 3.623,1217 3.695,1218 3.48,1219 3.467,1220 4.254,1221 3.462,1222 3.436,1223 3.49,1224 3.28,1225 3.243,1226 4.239,1227 3.241,1228 3.197,1229 3.277,1230 2.998,1231 3.046,1232 3.728,1233 3.024,1234 2.874,1235 3.009,1236 2.687,1237 2.735,1238 3.674,1239 2.715,1240 2.874,1241 3.009,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.171,1247 0.136,1248 0.273,1249 0.166,1250 0.127,1251 4.439,1252 0.147,1253 3.538,1254 0.033,1255 7.111,1256 0.448,1257 4.312,1258 0.127,1259 3.313,1260 3.834,1261 0.86,1262 11.657,1263 3.311,1264 1.96,1265 1.92,1266 2.097,1267 2.104,1268 1.296,1269 2.102,1270 1.953,1271 1.914,1272 2.091,1273 2.087,1274 1.29,1275 2.089,1276 1.658,1277 1.596,1278 1.899,1279 1.858,1280 1.127,1281 1.878,1282 1.621,1283 1.552,1284 1.863,1285 1.815,1286 1.064,1287 1.839,1288 1.404,1289 1.348,1290 1.668,1291 1.633,1292 0.798,1293 1.645,1294 1.228,1295 1.151,1296 1.54,1297 1.422,1298 0.741,1299 1.467,1300 0.934,1301 0.821,1302 1.417,1303 1.239,1304 0.469,1305 1.308,1306 0.934,1307 0.821,1308 1.417,1309 1.239,1310 0.469,1311 1.308,1312 3.97,1314 5.303,1316 6.808,1318 8.384,1320 9.997,1322 13.425,1328 3.246,1330 5.795,1334 0.407,1340 33.186,1341 73.995,1342 159.355,1343 198.508,1344 198.508,1345 198.508,1346 198.508,1347 46.918,1348 6.616,1349 16.99,1350 16.99,1351 12,1352 12.103,1353 3.7,1354 2.807,1355 52.504,1356 122,1357 82,1358 0.208,1359 209.963,1360 360.23,1361 504.07,1362 6612,1364 18.502,1365 0.74,1366 0.674,1367 18.502,1368 16.855,1369 11.66,1370 0.448,1371 0.363,1372 9.326,1373 11.301,1374 8.775,1375 7.492,1376 11.66,1377 9.427,1378 11.805,1379 0.319,1380 0.243,1381 11.805,1382 9.006,1383 7.868,1384 0.197,1385 0.118,1386 7.868,1387 4.71,1388 5.677,1389 0.132,1390 0.066,1391 5.677,1392 2.825,1393 4.159,1394 0.083,1395 0.035,1396 4.159,1397 1.755,1398 0.348,1399 72.184,1400 0.249,1401 25.344,1402 0.517,1403 126,1404 242.401,1405 133.042,1406 240.632,1407 331.7,1408 226,1409 140,1410 244.143,1411 147.764,1412 256.49,1413 361.64,1414 236,1415 4.721}
{0 CHEMBL1642983,1 1.163,2 12.083,3 4.651,4 21.628,5 104.877,6 5.796,7 0.48,8 4.045,9 4.196,10 3.391,11 3.582,12 4.966,13 3.496,14 4.607,15 4.838,16 3.741,17 3.989,18 5.405,19 3.882,20 4.883,21 5.099,22 3.755,23 4.23,24 5.716,25 4.061,26 5.142,27 5.459,28 3.567,29 4.221,30 5.805,31 3.978,32 4.937,33 5.26,34 3.327,35 3.953,36 5.584,37 3.707,38 4.633,39 4.968,40 3.175,41 3.639,42 5.22,43 3.451,44 4.356,45 4.6,46 3.179,47 3.63,48 5.111,49 3.459,50 4.59,51 4.912,52 3.146,53 3.69,54 5.261,55 3.477,56 0.072,57 0.766,58 13.808,59 5.542,60 11.874,61 8.21,62 0.151,63 1.235,64 23.346,65 8.867,66 18.207,67 13.377,68 0.16,69 1.59,70 30.388,71 12.652,72 28.299,73 18.474,74 0.186,75 1.759,76 36.285,77 15.204,78 35.815,79 22.175,80 0.208,81 1.437,82 29.806,83 11.495,84 29.136,85 17.211,86 0.198,87 1.081,88 22.416,89 7.136,90 17.529,91 11.519,92 0.104,93 0.908,94 17.644,95 6.928,96 14.375,97 10.334,98 0.119,99 1.016,100 20.903,101 8.484,102 20.952,103 12.504,104 41,105 36,106 0.194,107 0.453,108 0.544,109 0.544,110 0.544,111 0.544,112 3.226,113 1.08,114 -5.16,115 -5.05,116 -4.73,121 39.3,122 6,125 2,127 2,137 2,144 4,145 2,147 4,176 13,187 18,189 6,200 12,203 4,214 4,216 2,227 6,229 6,230 1,239 4,251 8,253 4,264 6,266 2,277 4,279 2,281 804,282 15.082,283 15.082,284 15.082,285 15.082,286 15.082,287 13.452,288 24.896,289 8.739,290 15.314,291 12.331,292 12.331,293 12.331,294 12.331,295 12.331,296 9.934,297 30.981,298 4.146,299 12.694,300 4.645,301 3.086,302 2.546,303 2.546,304 2.546,305 2.546,306 3.883,311 1,312 1,313 592,314 4.243,318 186.839,325 1.931,326 7.693,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 49,338 290,339 4.439,340 3.538,341 7.111,342 4.312,343 3.313,344 3.836,345 0.522,346 11.657,347 3.311,348 4.439,349 3.538,350 7.111,351 4.312,352 3.313,353 3.833,354 0.522,355 11.657,356 3.311,357 3.849,358 2.718,359 5.363,360 3.45,361 2.519,362 3.188,364 7.03,365 2.346,366 3.809,367 2.625,368 5.346,369 3.401,370 2.474,371 3.155,373 6.986,374 2.296,375 3.131,376 1.906,377 4.589,378 2.726,379 1.732,380 2.234,382 4.741,383 1.721,384 2.941,385 1.706,386 4.582,387 2.613,388 1.628,389 2.053,391 4.701,392 1.599,393 2.815,394 1.475,395 3.604,396 2.302,397 1.324,398 1.848,400 2.97,401 1.293,402 2.5,403 1,404 3.414,405 1.984,406 1,407 1.5,409 2.275,410 0.983,411 2.5,412 1,413 3.414,414 1.984,415 1,416 1.5,418 2.275,419 0.983,420 1.638,421 0.914,422 3.049,423 1.466,424 0.493,425 0.547,427 1.139,428 0.479,429 1.189,430 -0.015,431 2.78,432 0.788,433 -0.184,434 -0.237,436 -0.442,437 -0.178,438 0.767,439 -0.285,440 2.601,441 0.448,442 -0.54,443 -0.66,445 -1.236,446 -0.534,447 0.5,448 -0.801,449 2.141,451 -1,452 -1,454 -2.344,455 -0.946,456 0.5,457 -1,458 2,460 -1,461 -1,463 -3,464 -0.946,465 0.417,466 -1,467 2,469 -1,470 -1,472 -3,473 -0.965,474 11.8,475 0.492,476 0.926,477 0.039,478 25,479 1.042,480 11,481 0.458,482 14,483 0.583,484 24.808,485 1.034,486 27.2,487 0.486,488 16.318,489 0.68,490 4.447,491 0.185,492 6.713,493 0.28,494 0.254,495 0.085,496 0.153,501 1.079,502 1.477,503 1.094,504 1.266,505 1.401,506 1.196,507 1.527,508 0.963,509 0.938,510 0.857,511 0.694,512 0.865,513 1.185,514 1.369,515 1.375,516 1.402,517 1.324,518 1.399,519 0.622,520 0.974,521 0.925,522 0.994,523 1.001,524 0.979,525 0.918,526 1.052,527 0.973,528 1.016,529 1.131,530 1.001,531 2.32,532 0.667,533 0.937,534 0.602,535 0.882,536 0.68,537 1.317,538 1.31,539 1.253,540 1.268,541 0.926,542 1.259,543 0.836,544 0.787,545 0.813,546 0.798,547 0.86,548 0.803,549 7.5,550 0.215,551 3.333,552 1.375,553 0.844,554 0.778,555 0.366,556 0.274,557 0.14,558 0.143,559 7005,560 11022,561 1.906,562 57.1,563 18,564 10,566 4,572 1.657,573 1.735,574 3.507,575 -0.905,582 65.104,583 1.163,584 2.721,585 3.261,586 3.261,587 3.261,588 3.261,589 2.855,590 2.855,591 4.56,592 3.759,593 1037.39,594 7.801,595 13434.2,597 1,600 325.212,601 1.73,602 4.463,603 0.3,604 0.015,605 0.093,606 0.042,607 0.032,608 0.041,609 0.02,610 0.015,611 0.008,612 0.009,613 0.575,614 0.5,615 1,616 0.99,617 118.773,618 0.154,619 -0.213,620 0.051,621 -0.082,622 -0.222,623 -0.032,624 -0.026,625 0.191,626 0.153,627 0.197,628 0.292,629 0.187,630 -0.203,631 -0.241,632 -0.317,633 -0.302,634 -0.234,635 -0.313,636 0.054,637 -0.056,638 0.014,639 -0.023,640 0.004,641 -0.009,642 0.154,643 -0.119,644 -0.013,645 -0.086,646 -0.116,647 -0.063,648 -0.238,649 0.331,650 0.084,651 0.243,652 0.023,653 0.191,654 -0.115,655 -0.218,656 -0.206,657 -0.225,658 0.019,659 -0.221,660 0.04,661 0.141,662 0.138,663 0.155,664 0.146,665 0.152,666 1.037,667 0.245,668 0.5,669 23.75,670 0.972,671 1.129,672 3.93,673 15.443,674 0.633,675 3.258,676 3.611,677 3.689,678 3.761,679 3.912,680 3.97,681 3.892,682 3.611,683 3.611,684 3.714,685 7.419,686 0.57,687 324.56,688 3.258,689 4.812,690 5.609,691 6.479,692 7.295,693 8.161,694 8.984,695 9.848,696 10.673,697 11.537,698 3.6,708 2,715 8,720 2,721 2,722 12,741 56,743 13,745 25,747 57,748 22,749 10,756 2,757 2,763 6,764 2,772 12,773 10,777 1,784 2,790 1,793 32,796 2,802 2,803 2,808 1,822 2,829 2,849 2,859 2,864 6,868 24,876 2,882 2,901 13.833,902 11.833,903 5.083,904 3.431,907 2.707,908 1.413,909 0.907,910 5.845,911 9.264,912 3.497,913 4.06,914 4.494,915 4.947,916 5.447,917 5.536,918 5.682,919 5.674,920 5.804,921 6.146,922 0.875,923 33,924 8.871,926 3.51,927 0.026,929 7.368,931 17.699,933 14.181,936 1.868,937 44.833,938 0.001,939 1,940 1,941 376.675,942 156.581,943 3.798,948 156.581,949 376.675,950 3.798,951 52.951,952 4.211,953 56.857,954 50.883,955 42.561,957 329.591,959 376.675,960 160.379,964 376.675,968 93.352,969 44.276,970 22.751,972 376.675,973 3.798,974 156.581,977 376.675,978 10.583,979 149.797,982 376.675,983 3.798,984 156.581,986 0.601,987 0.309,988 0.132,989 0.069,990 16,991 8,992 0.105,993 6,995 1,996 3.63,997 172.864,999 12,1000 68.529,1005 18.699,1006 7.502,1007 5.752,1010 17.516,1015 2.745,1016 4.415,1018 537.054,1019 32,1026 4.447,1031 54.458,1032 63.225,1034 0.2,1035 0.469,1036 0.562,1037 0.562,1038 0.562,1039 0.562,1040 4.754,1041 1,1042 5.687,1043 2.97,1044 4.29,1045 4.745,1046 0.736,1047 6.535,1048 4.242,1049 6,1050 1,1051 7.298,1052 2.275,1053 4.29,1054 4.635,1056 7.941,1057 4.245,1058 7.333,1059 0.493,1060 9.036,1061 2.275,1062 6.043,1063 6.877,1064 0.259,1065 10.826,1066 5.969,1067 8.7,1068 -0.184,1069 10.85,1070 1.139,1071 6.781,1072 7.449,1074 12.96,1075 6.728,1076 10.094,1077 -0.54,1078 12.712,1079 -0.442,1080 8.148,1081 9.27,1082 0.077,1083 15.53,1084 8.079,1085 11.509,1086 -1,1087 14.604,1088 -1.236,1089 9.164,1090 10.162,1092 17.884,1093 9.117,1094 12.938,1095 -1,1096 16.517,1097 -2.344,1098 10.41,1099 11.781,1100 0.022,1101 20.375,1102 10.357,1103 3.313,1104 -1,1105 18.443,1106 -3,1107 11.534,1108 12.85,1110 22.797,1111 11.495,1112 3.313,1113 11.657,1114 20.379,1115 -3,1116 12.742,1117 14.357,1118 0.006,1119 25.264,1120 12.703,1121 2.519,1122 11.657,1123 22.323,1124 3.836,1125 13.908,1126 15.53,1128 27.709,1129 13.878,1130 2.474,1131 7.03,1132 24.271,1133 3.833,1134 15.106,1135 16.971,1136 0.002,1137 30.168,1138 15.076,1139 1.732,1140 6.986,1141 26.223,1142 3.188,1143 16.289,1144 18.208,1146 32.62,1147 16.265,1148 1.628,1149 4.741,1150 28.177,1151 3.155,1152 17.485,1153 19.609,1155 35.078,1156 17.461,1157 1.324,1158 4.701,1159 30.133,1160 2.234,1161 18.676,1162 20.886,1164 37.532,1165 18.655,1166 7092,1167 8973,1168 15.485,1169 35.432,1170 38.521,1171 38.024,1172 37.568,1173 37.583,1174 37.592,1175 47.388,1176 2.086,1177 110.861,1178 36.638,1179 5.196,1180 5.538,1181 6.796,1182 5.348,1183 5.313,1184 6.836,1185 1.043,1186 18.533,1187 5.247,1188 15.888,1189 1.541,1190 1.521,1191 1.503,1192 1.503,1193 1.504,1194 1.896,1195 0.083,1196 4.434,1197 1.466,1198 4.033,1199 4.082,1200 3.962,1201 3.922,1202 4.826,1203 3.925,1204 3.965,1205 4.01,1206 3.899,1207 3.864,1208 4.767,1209 3.866,1210 3.694,1211 3.755,1212 3.566,1213 3.574,1214 4.363,1215 3.565,1216 3.605,1217 3.678,1218 3.462,1219 3.448,1220 4.249,1221 3.442,1222 3.429,1223 3.49,1224 3.28,1225 3.314,1226 4.17,1227 3.298,1228 3.022,1229 3.106,1230 2.841,1231 2.844,1232 3.674,1233 2.833,1234 2.874,1235 3.009,1236 2.687,1237 2.735,1238 3.674,1239 2.715,1240 2.874,1241 3.009,1242 2.687,1243 2.735,1244 3.634,1245 2.715,1246 0.178,1247 0.142,1248 0.284,1249 0.172,1250 0.133,1251 4.439,1252 0.153,1253 3.538,1254 0.021,1255 7.111,1256 0.466,1257 4.312,1258 0.132,1259 3.313,1260 3.836,1261 0.522,1262 11.657,1263 3.311,1264 1.972,1265 1.931,1266 2.106,1267 2.111,1268 1.296,1269 2.111,1270 1.947,1271 1.908,1272 2.084,1273 2.076,1274 1.282,1275 2.08,1276 1.701,1277 1.645,1278 1.924,1279 1.86,1280 1.111,1281 1.888,1282 1.601,1283 1.532,1284 1.838,1285 1.796,1286 0.976,1287 1.819,1288 1.447,1289 1.389,1290 1.681,1291 1.597,1292 0.77,1293 1.63,1294 1.032,1295 0.949,1296 1.417,1297 1.25,1298 0.56,1299 1.308,1300 0.934,1301 0.821,1302 1.417,1303 1.239,1304 0.469,1305 1.308,1306 0.934,1307 0.821,1308 1.417,1309 1.239,1310 0.469,1311 1.308,1312 3.932,1314 5.273,1316 6.786,1318 8.368,1320 9.985,1322 13.469,1328 1.816,1334 0.426,1340 31.945,1341 65.104,1342 152.375,1343 182.643,1344 182.643,1345 182.643,1346 182.643,1347 41.557,1348 6.557,1349 7.76,1350 7.76,1351 12,1352 12.093,1353 3.807,1354 3,1355 49.166,1356 110,1357 74,1358 0.219,1359 203.039,1360 348.8,1361 487.176,1362 5915,1364 17.795,1365 0.741,1366 0.674,1367 17.795,1368 16.188,1369 11.16,1370 0.446,1371 0.36,1372 8.937,1373 10.946,1374 8.369,1375 7.204,1376 11.16,1377 9,1378 11.452,1379 0.318,1380 0.244,1381 11.452,1382 8.773,1383 7.618,1384 0.195,1385 0.116,1386 7.618,1387 4.514,1388 5.5,1389 0.131,1390 0.065,1391 5.5,1392 2.72,1393 4.038,1394 0.082,1395 0.035,1396 4.038,1397 1.711,1398 0.362,1399 68.184,1400 0.254,1401 24.316,1402 0.55,1403 122,1404 204.666,1405 126.163,1406 214.225,1407 300.62,1408 200,1409 136,1410 229.507,1411 140.996,1412 244.72,1413 343.35,1414 225,1415 5.469}
{0 CHEMBL1642984,1 1.163,2 12.083,3 4.651,4 21.628,5 104.877,6 5.796,7 0.48,8 4.045,9 4.196,10 3.391,11 3.582,12 4.966,13 3.496,14 4.607,15 4.838,16 3.741,17 3.989,18 5.405,19 3.882,20 4.883,21 5.099,22 3.755,23 4.23,24 5.716,25 4.061,26 5.142,27 5.459,28 3.567,29 4.221,30 5.805,31 3.978,32 4.937,33 5.26,34 3.327,35 3.953,36 5.584,37 3.707,38 4.633,39 4.968,40 3.175,41 3.639,42 5.22,43 3.451,44 4.356,45 4.6,46 3.179,47 3.63,48 5.111,49 3.459,50 4.59,51 4.912,52 3.146,53 3.69,54 5.261,55 3.477,56 0.072,57 0.766,58 13.808,59 5.542,60 11.874,61 8.21,62 0.151,63 1.235,64 23.346,65 8.867,66 18.207,67 13.377,68 0.16,69 1.59,70 30.388,71 12.652,72 28.299,73 18.474,74 0.186,75 1.759,76 36.285,77 15.204,78 35.815,79 22.175,80 0.208,81 1.437,82 29.806,83 11.495,84 29.136,85 17.211,86 0.198,87 1.081,88 22.416,89 7.136,90 17.529,91 11.519,92 0.104,93 0.908,94 17.644,95 6.928,96 14.375,97 10.334,98 0.119,99 1.016,100 20.903,101 8.484,102 20.952,103 12.504,104 41,105 36,106 0.194,107 0.453,108 0.544,109 0.544,110 0.544,111 0.544,112 3.226,113 1.08,114 -5.16,115 -5.05,116 -4.73,121 39.3,122 6,125 2,127 2,137 2,144 4,145 2,147 4,176 13,187 18,189 6,200 12,203 4,214 4,216 2,227 6,229 6,230 1,239 4,251 8,253 4,264 6,266 2,277 4,279 2,281 804,282 15.082,283 15.082,284 15.082,285 15.082,286 15.082,287 13.452,288 24.896,289 8.739,290 15.314,291 12.331,292 12.331,293 12.331,294 12.331,295 12.331,296 9.934,297 30.981,298 4.146,299 12.694,300 4.645,301 3.086,302 2.546,303 2.546,304 2.546,305 2.546,306 3.883,311 1,312 1,313 592,314 4.243,318 186.839,325 1.931,326 7.693,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 49,338 290,339 4.439,340 3.538,341 7.111,342 4.312,343 3.313,344 3.836,345 0.522,346 11.657,347 3.311,348 4.439,349 3.538,350 7.111,351 4.312,352 3.313,353 3.833,354 0.522,355 11.657,356 3.311,357 3.849,358 2.718,359 5.363,360 3.45,361 2.519,362 3.188,364 7.03,365 2.346,366 3.809,367 2.625,368 5.346,369 3.401,370 2.474,371 3.155,373 6.986,374 2.296,375 3.131,376 1.906,377 4.589,378 2.726,379 1.732,380 2.234,382 4.741,383 1.721,384 2.941,385 1.706,386 4.582,387 2.613,388 1.628,389 2.053,391 4.701,392 1.599,393 2.815,394 1.475,395 3.604,396 2.302,397 1.324,398 1.848,400 2.97,401 1.293,402 2.5,403 1,404 3.414,405 1.984,406 1,407 1.5,409 2.275,410 0.983,411 2.5,412 1,413 3.414,414 1.984,415 1,416 1.5,418 2.275,419 0.983,420 1.638,421 0.914,422 3.049,423 1.466,424 0.493,425 0.547,427 1.139,428 0.479,429 1.189,430 -0.015,431 2.78,432 0.788,433 -0.184,434 -0.237,436 -0.442,437 -0.178,438 0.767,439 -0.285,440 2.601,441 0.448,442 -0.54,443 -0.66,445 -1.236,446 -0.534,447 0.5,448 -0.801,449 2.141,451 -1,452 -1,454 -2.344,455 -0.946,456 0.5,457 -1,458 2,460 -1,461 -1,463 -3,464 -0.946,465 0.417,466 -1,467 2,469 -1,470 -1,472 -3,473 -0.965,474 11.8,475 0.492,476 0.926,477 0.039,478 25,479 1.042,480 11,481 0.458,482 14,483 0.583,484 24.808,485 1.034,486 27.2,487 0.486,488 16.318,489 0.68,490 4.447,491 0.185,492 6.713,493 0.28,494 0.254,495 0.085,496 0.153,501 1.079,502 1.477,503 1.094,504 1.266,505 1.401,506 1.196,507 1.527,508 0.963,509 0.938,510 0.857,511 0.694,512 0.865,513 1.185,514 1.369,515 1.375,516 1.402,517 1.324,518 1.399,519 0.622,520 0.974,521 0.925,522 0.994,523 1.001,524 0.979,525 0.918,526 1.052,527 0.973,528 1.016,529 1.131,530 1.001,531 2.32,532 0.667,533 0.937,534 0.602,535 0.882,536 0.68,537 1.317,538 1.31,539 1.253,540 1.268,541 0.926,542 1.259,543 0.836,544 0.787,545 0.813,546 0.798,547 0.86,548 0.803,549 7.5,550 0.215,551 3.333,552 1.375,553 0.844,554 0.778,555 0.366,556 0.274,557 0.14,558 0.143,559 7005,560 11022,561 1.906,562 57.1,563 18,564 10,566 4,572 1.657,573 1.735,574 3.507,575 -0.905,582 65.104,583 1.163,584 2.721,585 3.261,586 3.261,587 3.261,588 3.261,589 2.855,590 2.855,591 4.56,592 3.759,593 1037.39,594 7.801,595 13434.2,597 1,600 325.212,601 1.73,602 4.463,603 0.3,604 0.015,605 0.093,606 0.042,607 0.032,608 0.041,609 0.02,610 0.015,611 0.008,612 0.009,613 0.575,614 0.5,615 1,616 0.99,617 118.773,618 0.154,619 -0.213,620 0.051,621 -0.082,622 -0.222,623 -0.032,624 -0.026,625 0.191,626 0.153,627 0.197,628 0.292,629 0.187,630 -0.203,631 -0.241,632 -0.317,633 -0.302,634 -0.234,635 -0.313,636 0.054,637 -0.056,638 0.014,639 -0.023,640 0.004,641 -0.009,642 0.154,643 -0.119,644 -0.013,645 -0.086,646 -0.116,647 -0.063,648 -0.238,649 0.331,650 0.084,651 0.243,652 0.023,653 0.191,654 -0.115,655 -0.218,656 -0.206,657 -0.225,658 0.019,659 -0.221,660 0.04,661 0.141,662 0.138,663 0.155,664 0.146,665 0.152,666 1.037,667 0.245,668 0.5,669 23.75,670 0.972,671 1.129,672 3.93,673 15.443,674 0.633,675 3.258,676 3.611,677 3.689,678 3.761,679 3.912,680 3.97,681 3.892,682 3.611,683 3.611,684 3.714,685 7.419,686 0.57,687 324.56,688 3.258,689 4.812,690 5.609,691 6.479,692 7.295,693 8.161,694 8.984,695 9.848,696 10.673,697 11.537,698 3.6,708 2,715 8,720 2,721 2,722 12,741 56,743 13,745 25,747 57,748 22,749 10,756 2,757 2,763 6,764 2,772 12,773 10,777 1,784 2,790 1,793 32,796 2,802 2,803 2,808 1,822 2,829 2,849 2,859 2,864 6,868 24,876 2,882 2,901 13.833,902 11.833,903 5.083,904 3.431,907 2.707,908 1.413,909 0.907,910 5.845,911 9.264,912 3.497,913 4.06,914 4.494,915 4.947,916 5.447,917 5.536,918 5.682,919 5.674,920 5.804,921 6.146,922 0.875,923 33,924 8.871,926 3.51,927 0.026,929 7.368,931 17.699,933 14.181,936 1.868,937 44.833,938 0.001,939 1,940 1,941 376.675,942 156.581,943 3.798,948 156.581,949 376.675,950 3.798,951 52.951,952 4.211,953 56.857,954 50.883,955 42.561,957 329.591,959 376.675,960 160.379,964 376.675,968 93.352,969 44.276,970 22.751,972 376.675,973 3.798,974 156.581,977 376.675,978 10.583,979 149.797,982 376.675,983 3.798,984 156.581,986 0.601,987 0.309,988 0.132,989 0.069,990 16,991 8,992 0.105,993 6,995 1,996 3.63,997 172.864,999 12,1000 68.529,1005 18.699,1006 7.502,1007 5.752,1010 17.516,1015 2.745,1016 4.415,1018 537.054,1019 32,1026 4.447,1031 54.458,1032 63.225,1034 0.2,1035 0.469,1036 0.562,1037 0.562,1038 0.562,1039 0.562,1040 4.754,1041 1,1042 5.687,1043 2.97,1044 4.29,1045 4.745,1046 0.736,1047 6.535,1048 4.242,1049 6,1050 1,1051 7.298,1052 2.275,1053 4.29,1054 4.635,1056 7.941,1057 4.245,1058 7.333,1059 0.493,1060 9.036,1061 2.275,1062 6.043,1063 6.877,1064 0.259,1065 10.826,1066 5.969,1067 8.7,1068 -0.184,1069 10.85,1070 1.139,1071 6.781,1072 7.449,1074 12.96,1075 6.728,1076 10.094,1077 -0.54,1078 12.712,1079 -0.442,1080 8.148,1081 9.27,1082 0.077,1083 15.53,1084 8.079,1085 11.509,1086 -1,1087 14.604,1088 -1.236,1089 9.164,1090 10.162,1092 17.884,1093 9.117,1094 12.938,1095 -1,1096 16.517,1097 -2.344,1098 10.41,1099 11.781,1100 0.022,1101 20.375,1102 10.357,1103 3.313,1104 -1,1105 18.443,1106 -3,1107 11.534,1108 12.85,1110 22.797,1111 11.495,1112 3.313,1113 11.657,1114 20.379,1115 -3,1116 12.742,1117 14.357,1118 0.006,1119 25.264,1120 12.703,1121 2.519,1122 11.657,1123 22.323,1124 3.836,1125 13.908,1126 15.53,1128 27.709,1129 13.878,1130 2.474,1131 7.03,1132 24.271,1133 3.833,1134 15.106,1135 16.971,1136 0.002,1137 30.168,1138 15.076,1139 1.732,1140 6.986,1141 26.223,1142 3.188,1143 16.289,1144 18.208,1146 32.62,1147 16.265,1148 1.628,1149 4.741,1150 28.177,1151 3.155,1152 17.485,1153 19.609,1155 35.078,1156 17.461,1157 1.324,1158 4.701,1159 30.133,1160 2.234,1161 18.676,1162 20.886,1164 37.532,1165 18.655,1166 7092,1167 8973,1168 15.485,1169 35.432,1170 38.521,1171 38.024,1172 37.568,1173 37.583,1174 37.592,1175 47.388,1176 2.086,1177 110.861,1178 36.638,1179 5.196,1180 5.538,1181 6.796,1182 5.348,1183 5.313,1184 6.836,1185 1.043,1186 18.533,1187 5.247,1188 15.888,1189 1.541,1190 1.521,1191 1.503,1192 1.503,1193 1.504,1194 1.896,1195 0.083,1196 4.434,1197 1.466,1198 4.033,1199 4.082,1200 3.962,1201 3.922,1202 4.826,1203 3.925,1204 3.965,1205 4.01,1206 3.899,1207 3.864,1208 4.767,1209 3.866,1210 3.694,1211 3.755,1212 3.566,1213 3.574,1214 4.363,1215 3.565,1216 3.605,1217 3.678,1218 3.462,1219 3.448,1220 4.249,1221 3.442,1222 3.429,1223 3.49,1224 3.28,1225 3.314,1226 4.17,1227 3.298,1228 3.022,1229 3.106,1230 2.841,1231 2.844,1232 3.674,1233 2.833,1234 2.874,1235 3.009,1236 2.687,1237 2.735,1238 3.674,1239 2.715,1240 2.874,1241 3.009,1242 2.687,1243 2.735,1244 3.634,1245 2.715,1246 0.178,1247 0.142,1248 0.284,1249 0.172,1250 0.133,1251 4.439,1252 0.153,1253 3.538,1254 0.021,1255 7.111,1256 0.466,1257 4.312,1258 0.132,1259 3.313,1260 3.836,1261 0.522,1262 11.657,1263 3.311,1264 1.972,1265 1.931,1266 2.106,1267 2.111,1268 1.296,1269 2.111,1270 1.947,1271 1.908,1272 2.084,1273 2.076,1274 1.282,1275 2.08,1276 1.701,1277 1.645,1278 1.924,1279 1.86,1280 1.111,1281 1.888,1282 1.601,1283 1.532,1284 1.838,1285 1.796,1286 0.976,1287 1.819,1288 1.447,1289 1.389,1290 1.681,1291 1.597,1292 0.77,1293 1.63,1294 1.032,1295 0.949,1296 1.417,1297 1.25,1298 0.56,1299 1.308,1300 0.934,1301 0.821,1302 1.417,1303 1.239,1304 0.469,1305 1.308,1306 0.934,1307 0.821,1308 1.417,1309 1.239,1310 0.469,1311 1.308,1312 3.932,1314 5.273,1316 6.786,1318 8.368,1320 9.985,1322 13.469,1328 1.816,1334 0.426,1340 31.945,1341 65.104,1342 152.375,1343 182.643,1344 182.643,1345 182.643,1346 182.643,1347 41.557,1348 6.557,1349 7.76,1350 7.76,1351 12,1352 12.093,1353 3.807,1354 3,1355 49.166,1356 110,1357 74,1358 0.219,1359 203.039,1360 348.8,1361 487.176,1362 5915,1364 17.795,1365 0.741,1366 0.674,1367 17.795,1368 16.188,1369 11.16,1370 0.446,1371 0.36,1372 8.937,1373 10.946,1374 8.369,1375 7.204,1376 11.16,1377 9,1378 11.452,1379 0.318,1380 0.244,1381 11.452,1382 8.773,1383 7.618,1384 0.195,1385 0.116,1386 7.618,1387 4.514,1388 5.5,1389 0.131,1390 0.065,1391 5.5,1392 2.72,1393 4.038,1394 0.082,1395 0.035,1396 4.038,1397 1.711,1398 0.362,1399 68.184,1400 0.254,1401 24.316,1402 0.55,1403 122,1404 204.666,1405 126.163,1406 214.225,1407 300.62,1408 200,1409 136,1410 229.507,1411 140.996,1412 244.72,1413 343.35,1414 225,1415 5.699}
{0 CHEMBL1642985,1 1.161,2 11.714,3 5.701,4 32.504,5 119.695,6 6.042,7 0.6,8 4.159,9 4.301,10 3.551,11 3.73,12 5.1,13 3.651,14 4.718,15 4.935,16 3.921,17 4.152,18 5.539,19 4.053,20 5.002,21 5.204,22 3.967,23 4.392,24 5.845,25 4.237,26 5.272,27 5.574,28 3.853,29 4.4,30 5.958,31 4.186,32 5.125,33 5.428,34 3.764,35 4.239,36 5.828,37 4.042,38 4.912,39 5.207,40 3.68,41 4.084,42 5.624,43 3.925,44 4.752,45 4.995,46 3.581,47 4.047,48 5.517,49 3.874,50 4.843,51 5.151,52 3.579,53 4.027,54 5.505,55 3.846,56 0.076,57 0.842,58 14.982,59 6.218,60 13.279,61 9.036,62 0.159,63 1.393,64 25.84,65 10.185,66 19.799,67 15.031,68 0.17,69 1.817,70 34.027,71 14.44,72 29.656,73 20.858,74 0.224,75 2.129,76 42.734,77 17.732,78 39.697,79 25.855,80 0.262,81 1.874,82 37.343,83 14.417,84 35.772,85 21.433,86 0.238,87 1.561,88 30.677,89 10.913,90 27.074,91 16.658,92 0.138,93 1.353,94 26.025,95 10.858,96 22.084,97 15.775,98 0.146,99 1.379,100 27.677,101 11.656,102 23.456,103 16.902,104 41,105 44,106 0.188,107 0.434,108 0.544,109 0.575,110 0.575,111 0.575,112 3.374,113 1.038,114 -5.84,115 -5.7,116 -5.31,121 41.9,122 6,125 2,127 2,144 8,145 4,147 4,176 18,187 24,189 6,200 15,203 6,214 4,216 6,227 10,229 8,230 1,239 14,251 18,253 4,264 18,266 2,277 18,279 2,281 1328,282 17.891,283 17.891,284 17.891,285 17.891,286 17.891,287 15.769,288 27.322,289 10.286,290 18.106,291 14.819,292 14.819,293 14.819,294 14.819,295 14.819,296 11.679,297 36.895,298 4.896,299 15.162,300 4.793,301 3.268,302 2.59,303 2.396,304 2.396,305 2.396,306 4.049,312 1,313 684,314 4.123,318 289.991,325 2,326 9.098,329 0.75,330 0.83,331 1,332 1,333 0.5,334 1,335 1,336 0.87,337 57,338 328,339 4.443,340 3.539,341 7.111,342 4.313,343 3.314,344 3.903,345 0.522,346 11.657,347 3.311,348 4.439,349 3.538,350 7.111,351 4.312,352 3.313,353 3.834,354 0.522,355 11.657,356 3.311,357 4.238,358 3.161,359 6.193,360 3.894,361 2.91,362 3.755,364 9.282,365 2.866,366 3.824,367 2.67,368 5.41,369 3.426,370 2.497,371 3.167,373 7.191,374 2.321,375 3.723,376 2.397,377 5.259,378 3.277,379 2.33,380 3.101,382 6.668,383 2.201,384 3.003,385 1.825,386 4.619,387 2.684,388 1.692,389 2.136,391 4.84,392 1.677,393 2.968,394 1.654,395 4.571,396 2.593,397 1.608,398 2.13,400 4.648,401 1.581,402 2.829,403 1.463,404 4.241,405 2.382,406 1.389,407 1.952,409 3.8,410 1.377,411 2.766,412 1.436,413 3.62,414 2.343,415 1.357,416 1.868,418 3.005,419 1.335,420 2.5,421 1,422 3.414,423 1.984,424 1,425 1.5,427 2.275,428 0.983,429 2.5,430 1,431 3.414,432 1.984,433 1,434 1.5,436 2.275,437 0.983,438 1.594,439 0.534,440 3.034,441 1.302,442 0.322,443 0.397,445 0.802,446 0.315,447 1.248,448 0.17,449 2.953,450 0.938,451 -0.029,452 -0.036,454 -0.077,455 -0.028,456 0.91,457 -0.248,458 2.667,459 0.541,460 -0.446,461 -0.567,463 -1.063,464 -0.44,465 0.677,466 -0.545,467 2.558,468 0.264,469 -0.728,470 -0.958,472 -1.787,473 -0.722,474 13.8,475 0.493,476 1.046,477 0.037,478 32.5,479 1.161,480 16,481 0.571,482 16.5,483 0.589,484 28.898,485 1.032,486 30.6,487 0.494,488 23.022,489 0.822,490 5.866,491 0.21,492 7.26,493 0.259,494 0.217,495 0.072,496 0.203,501 1.05,502 1.356,503 1.03,504 1.171,505 1.319,506 1.112,507 1.484,508 0.916,509 0.903,510 0.825,511 0.683,512 0.834,513 1.116,514 1.394,515 1.333,516 1.391,517 1.297,518 1.376,519 0.759,520 1.031,521 0.927,522 0.997,523 0.969,524 0.975,525 1.188,526 0.98,527 0.936,528 0.919,529 1.006,530 0.916,531 2.15,532 0.746,533 0.993,534 0.718,535 0.975,536 0.784,537 1.09,538 1.209,539 1.185,540 1.209,541 1.116,542 1.203,543 0.729,544 0.687,545 0.714,546 0.701,547 0.617,548 0.706,549 8.5,550 0.289,551 3.778,552 1.75,553 1.467,554 0.847,555 0.442,556 0.559,557 0.411,558 0.291,559 9848,560 16037,561 1.976,562 54.8,563 18,564 12,566 4,572 1.708,573 1.806,574 3.497,575 -0.919,582 71.975,583 1.161,584 2.686,585 3.364,586 3.558,587 3.558,588 3.558,589 2.896,590 3.182,591 4.777,592 3.725,593 1408.11,594 8.294,595 19208.1,600 369.16,601 1.724,602 4.698,603 0.283,604 0.014,605 0.086,606 0.042,607 0.041,608 0.026,609 0.014,610 0.02,611 0.014,612 0.01,613 0.549,614 0.5,615 0.88,616 0.92,617 142.457,618 0.147,619 -0.158,620 0.06,621 -0.048,622 -0.188,623 -0.007,624 -0.024,625 0.213,626 0.16,627 0.21,628 0.272,629 0.197,630 -0.149,631 -0.299,632 -0.3,633 -0.321,634 -0.264,635 -0.319,636 0.095,637 -0.086,638 0.037,639 -0.025,640 0.02,641 -0.002,642 0.124,643 0.003,644 0.055,645 0.022,646 0.016,647 0.033,648 -0.258,649 0.307,650 0.041,651 0.201,652 0.033,653 0.147,654 -0.101,655 -0.169,656 -0.176,657 -0.183,658 -0.142,659 -0.183,660 0.094,661 0.255,662 0.249,663 0.274,664 0.27,665 0.269,666 1.063,667 0.265,668 0.643,669 28.694,670 0.973,671 1.123,672 4.615,673 21.294,674 0.648,675 3.434,676 3.807,677 3.951,678 4.111,679 4.331,680 4.394,681 4.454,682 4.554,683 4.663,684 4.654,685 7.148,686 0.588,687 374.62,688 3.434,689 5.004,690 5.826,691 6.711,692 7.551,693 8.432,694 9.278,695 10.157,696 11.006,697 11.884,698 3.2,708 2,715 12,720 4,721 2,722 18,741 62,743 18,744 1,745 30,747 64,748 26,749 16,750 2,751 4,756 3,757 3,763 6,764 2,772 16,773 10,793 34,796 2,802 2,803 2,808 1,822 2,829 3,859 3,864 6,868 28,876 2,882 2,901 15.5,902 13,903 5.861,904 3.799,907 3.492,908 1.478,909 0.936,910 5.928,911 10.803,912 3.689,913 4.297,914 4.79,915 5.291,916 5.84,917 5.97,918 6.276,919 6.64,920 7.023,921 7.306,922 0.875,923 42,924 10.351,926 4.205,927 0.026,929 7.363,931 20.662,933 16.986,936 1.863,937 52.167,941 400.217,942 181.905,943 3.798,948 181.905,949 400.217,950 3.798,951 52.951,952 4.211,953 75.81,954 50.883,955 48.932,957 353.133,959 400.217,960 185.703,964 400.217,968 93.352,969 88.552,970 3.798,972 400.217,973 3.798,974 181.905,977 400.217,978 16.954,979 168.749,982 400.217,983 3.798,984 181.905,986 0.603,987 0.32,988 0.148,989 0.081,990 21,991 10,992 0.094,993 6,995 1,996 3.902,997 232.693,999 18,1000 89.096,1005 20.575,1006 8.067,1007 5.444,1010 26.494,1015 5.463,1016 4.531,1018 585.92,1019 39,1031 60.341,1032 69.64,1034 0.195,1035 0.451,1036 0.565,1037 0.598,1038 0.598,1039 0.598,1040 4.952,1041 1.389,1042 5.894,1043 4.648,1044 4.489,1045 4.984,1046 0.736,1047 6.753,1048 4.449,1049 6.202,1050 1.357,1051 7.505,1052 3.8,1053 4.443,1054 4.868,1056 8.084,1057 4.404,1058 7.538,1059 1,1060 9.235,1061 3.005,1062 6.232,1063 7.155,1064 0.259,1065 11.006,1066 6.17,1067 8.907,1068 1,1069 11.037,1070 2.275,1071 6.929,1072 7.727,1074 13.078,1075 6.881,1076 10.303,1077 0.322,1078 12.884,1079 2.275,1080 8.312,1081 9.577,1082 0.077,1083 15.653,1084 8.249,1085 11.718,1086 -0.029,1087 14.76,1088 0.802,1089 9.298,1090 10.474,1092 17.971,1093 9.252,1094 13.147,1095 -0.446,1096 16.657,1097 -0.077,1098 10.547,1099 12.113,1100 0.022,1101 20.454,1102 10.493,1103 3.314,1104 -0.728,1105 18.569,1106 -1.063,1107 11.65,1108 13.189,1110 22.857,1111 11.608,1112 3.313,1113 11.657,1114 20.491,1115 -1.787,1116 12.854,1117 14.709,1118 0.006,1119 25.315,1120 12.809,1121 2.91,1122 11.657,1123 22.422,1124 3.903,1125 14.006,1126 15.889,1128 27.748,1129 13.968,1130 2.497,1131 9.282,1132 24.359,1133 3.834,1134 15.196,1135 17.34,1136 0.002,1137 30.201,1138 15.158,1139 2.33,1140 7.191,1141 26.3,1142 3.755,1143 16.369,1144 18.584,1146 32.646,1147 16.335,1148 1.692,1149 6.668,1150 28.245,1151 3.167,1152 17.558,1153 19.994,1155 35.098,1156 17.524,1157 1.608,1158 4.84,1159 30.193,1160 3.101,1161 18.741,1162 21.277,1164 37.548,1165 18.71,1166 9737,1167 12531,1168 19.068,1169 40.194,1170 46.453,1171 45.722,1172 45.633,1173 45.466,1174 45.463,1175 58.486,1176 2.086,1177 136.201,1178 44.521,1179 5.261,1180 5.539,1181 6.795,1182 5.348,1183 5.314,1184 6.903,1185 1.043,1186 18.541,1187 5.311,1188 17.466,1189 1.548,1190 1.524,1191 1.521,1192 1.516,1193 1.515,1194 1.95,1195 0.07,1196 4.54,1197 1.484,1198 4.071,1199 4.114,1200 4.006,1201 3.974,1202 4.853,1203 3.976,1204 3.966,1205 4.011,1206 3.9,1207 3.865,1208 4.767,1209 3.867,1210 3.857,1211 3.89,1212 3.783,1213 3.801,1214 4.659,1215 3.793,1216 3.608,1217 3.68,1218 3.466,1219 3.452,1220 4.256,1221 3.447,1222 3.584,1223 3.653,1224 3.444,1225 3.434,1226 4.25,1227 3.428,1228 3.128,1229 3.195,1230 2.976,1231 3.009,1232 3.793,1233 2.993,1234 3.088,1235 3.161,1236 2.925,1237 2.951,1238 3.749,1239 2.936,1240 2.874,1241 3.009,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.148,1247 0.118,1248 0.237,1249 0.144,1250 0.11,1251 4.443,1252 0.13,1253 3.539,1254 0.017,1255 7.111,1256 0.389,1257 4.313,1258 0.11,1259 3.314,1260 3.903,1261 0.522,1262 11.657,1263 3.311,1264 2.01,1265 1.975,1266 2.127,1267 2.134,1268 1.322,1269 2.134,1270 1.948,1271 1.909,1272 2.085,1273 2.077,1274 1.283,1275 2.08,1276 1.869,1277 1.838,1278 2.017,1279 1.955,1280 1.219,1281 1.977,1282 1.604,1283 1.535,1284 1.84,1285 1.798,1286 0.984,1287 1.821,1288 1.579,1289 1.513,1290 1.805,1291 1.76,1292 0.887,1293 1.782,1294 1.15,1295 1.088,1296 1.417,1297 1.319,1298 0.591,1299 1.356,1300 1.106,1301 1.038,1302 1.417,1303 1.291,1304 0.571,1305 1.329,1306 0.934,1307 0.821,1308 1.417,1309 1.239,1310 0.469,1311 1.308,1312 4.111,1314 5.468,1316 7.002,1318 8.607,1320 10.245,1322 13.525,1328 1.78,1334 0.375,1340 36.472,1341 71.975,1342 166.523,1343 208.592,1344 220.592,1345 220.592,1346 220.592,1347 44.839,1348 7.311,1349 7.76,1350 7.76,1351 18,1352 12.427,1353 4.248,1354 3.322,1355 49.851,1356 118,1357 102,1358 0.202,1359 228.161,1360 389.46,1361 548.472,1362 15370,1364 20.364,1365 0.727,1366 0.655,1367 20.364,1368 18.342,1369 13.126,1370 0.438,1371 0.346,1372 10.322,1373 12.92,1374 9.71,1375 8.297,1376 13.126,1377 10.384,1378 13.443,1379 0.306,1380 0.228,1381 13.443,1382 10.016,1383 9.482,1384 0.186,1385 0.109,1386 9.482,1387 5.547,1388 7.29,1389 0.121,1390 0.06,1391 7.29,1392 3.587,1393 5.789,1394 0.077,1395 0.032,1396 5.789,1397 2.425,1398 0.323,1399 79.982,1400 0.229,1401 27.027,1402 0.541,1403 148,1404 254.666,1405 152.163,1406 266.79,1407 378.54,1408 250,1409 169,1410 291.507,1411 174.329,1412 310.22,1413 440.47,1414 287,1415 5}
{0 CHEMBL1642986,1 1.161,2 12.536,3 5.701,4 32.504,5 119.695,6 6.042,7 0.6,8 4.159,9 4.301,10 3.551,11 3.73,12 5.099,13 3.651,14 4.718,15 4.935,16 3.921,17 4.152,18 5.541,19 4.053,20 5.002,21 5.203,22 3.951,23 4.387,24 5.851,25 4.229,26 5.27,27 5.58,28 3.818,29 4.384,30 5.948,31 4.165,32 5.069,33 5.363,34 3.692,35 4.199,36 5.784,37 3.994,38 4.889,39 5.207,40 3.577,41 4.004,42 5.551,43 3.837,44 4.61,45 4.831,46 3.506,47 3.958,48 5.382,49 3.79,50 4.801,51 5.108,52 3.53,53 3.965,54 5.473,55 3.785,56 0.076,57 0.842,58 14.982,59 6.218,60 13.168,61 9.036,62 0.159,63 1.393,64 25.84,65 10.185,66 19.723,67 15.031,68 0.17,69 1.815,70 34.021,71 14.433,72 30.691,73 20.85,74 0.226,75 2.105,76 42.507,77 17.645,78 40.439,79 25.72,80 0.197,81 1.768,82 35.168,83 14.081,84 34.265,85 20.761,86 0.274,87 1.495,88 29.816,89 10.349,90 25.42,91 15.867,92 0.103,93 1.188,94 22.599,95 9.825,96 17.289,97 14.104,98 0.149,99 1.331,100 26.646,101 10.891,102 23.3,103 15.942,104 41,105 44,106 0.188,107 0.434,108 0.549,109 0.585,110 0.585,111 0.585,112 3.374,113 1.038,114 -5.84,115 -5.7,116 -5.31,121 41.9,122 6,125 2,127 2,144 8,145 4,147 4,176 18,187 24,189 6,200 15,203 6,214 4,216 6,227 10,229 8,239 14,242 1,251 18,264 18,266 4,277 14,279 2,281 1262,282 17.839,283 17.839,284 17.839,285 17.839,286 17.839,287 15.745,288 28.89,289 10.239,290 18.054,291 14.831,292 14.831,293 14.831,294 14.831,295 14.831,296 11.701,297 40.351,298 4.897,299 15.176,300 4.793,301 3.268,302 2.558,303 2.332,304 2.332,305 2.332,306 4.049,312 1,313 734,314 4.123,318 304.24,325 2.179,326 9.183,329 0.75,330 0.83,331 1,332 1,333 0.5,334 1,335 1,336 0.87,337 57,338 351,339 4.441,340 3.538,341 7.111,342 4.313,343 3.314,344 3.858,345 0.522,346 11.657,347 3.311,348 4.439,349 3.538,350 7.111,351 4.313,352 3.313,353 3.837,354 0.522,355 11.657,356 3.311,357 4.124,358 3.008,359 5.729,360 3.759,361 2.781,362 3.671,364 8.151,365 2.727,366 3.86,367 2.771,368 5.484,369 3.488,370 2.551,371 3.2,373 7.417,374 2.392,375 3.718,376 2.38,377 5.186,378 3.269,379 2.318,380 3.101,382 6.532,383 2.198,384 3.275,385 2.079,386 4.821,387 2.918,388 1.925,389 2.523,391 5.481,392 1.911,393 2.926,394 1.64,395 4.569,396 2.575,397 1.593,398 2.043,400 4.65,401 1.559,402 2.873,403 1.569,404 4.523,405 2.492,406 1.515,407 1.985,409 4.5,410 1.476,411 2.655,412 1.226,413 3.497,414 2.18,415 1.183,416 1.727,418 2.622,419 1.179,420 2.5,421 1,422 3.414,423 1.984,424 1,425 1.5,427 2.275,428 0.983,429 2.5,430 1,431 3.414,432 1.984,433 1,434 1.5,436 2.275,437 0.983,438 1.372,439 0.32,440 3.04,441 1.062,442 0.092,443 0.112,445 0.254,446 0.089,447 1.349,448 0.268,449 2.957,450 1.053,451 0.079,452 0.098,454 0.205,455 0.076,456 0.858,457 -0.348,458 2.644,459 0.466,460 -0.526,461 -0.687,463 -1.25,464 -0.522,465 0.746,466 -0.412,467 2.604,468 0.365,469 -0.627,470 -0.803,472 -1.648,473 -0.622,474 13.8,475 0.493,476 1.063,477 0.038,478 32.5,479 1.161,480 16,481 0.571,482 16.5,483 0.589,484 28.472,485 1.017,486 30.6,487 0.494,488 22.768,489 0.813,490 5.85,491 0.209,492 7.259,493 0.259,494 0.217,495 0.072,496 0.203,501 1.05,502 1.356,503 1.03,504 1.171,505 1.328,506 1.112,507 1.484,508 0.916,509 0.903,510 0.825,511 0.665,512 0.834,513 1.127,514 1.418,515 1.358,516 1.418,517 1.345,518 1.403,519 0.788,520 0.943,521 0.897,522 0.933,523 0.941,524 0.922,525 0.942,526 1.158,527 0.983,528 1.066,529 1.071,530 1.033,531 2.283,532 0.496,533 0.922,534 0.54,535 0.922,536 0.642,537 0.784,538 1.347,539 1.226,540 1.343,541 1.111,542 1.313,543 0.863,544 0.778,545 0.749,546 0.745,547 0.585,548 0.742,549 9,550 0.19,551 3.333,552 2,553 1.147,554 0.903,555 0.483,556 0.503,557 0.337,558 0.26,559 10424,560 16937,561 1.976,562 54.8,563 18,564 12,566 4,572 1.704,573 1.806,574 3.577,575 -0.919,582 71.975,583 1.161,584 2.686,585 3.397,586 3.622,587 3.622,588 3.622,589 3.012,590 3.057,591 4.778,592 3.823,593 1444.91,594 8.274,595 20163.6,600 369.16,601 1.724,602 4.698,603 0.3,604 0.009,605 0.076,606 0.049,607 0.033,608 0.03,609 0.017,610 0.019,611 0.012,612 0.01,613 0.554,614 0.5,615 0.88,616 0.92,617 143.9,618 0.147,619 -0.158,620 0.06,621 -0.048,622 -0.196,623 -0.007,624 -0.024,625 0.213,626 0.16,627 0.21,628 0.291,629 0.197,630 -0.161,631 -0.324,632 -0.326,633 -0.349,634 -0.286,635 -0.346,636 0.068,637 -0.006,638 0.064,639 0.032,640 0.051,641 0.045,642 0.109,643 -0.187,644 -0.002,645 -0.1,646 -0.038,647 -0.064,648 -0.228,649 0.542,650 0.107,651 0.346,652 0.055,653 0.262,654 -0.039,655 -0.3,656 -0.219,657 -0.281,658 -0.19,659 -0.263,660 0.111,661 0.176,662 0.223,663 0.218,664 0.322,665 0.224,666 1.057,667 0.315,668 0.643,669 30.378,670 0.973,671 1.123,672 4.615,673 21.294,674 0.648,675 3.434,676 3.807,677 3.932,678 4.094,679 4.29,680 4.369,681 4.419,682 4.5,683 4.533,684 4.654,685 7.6,686 0.588,687 374.62,688 3.434,689 5.004,690 5.82,691 6.703,692 7.535,693 8.414,694 9.251,695 10.128,696 10.967,697 11.843,698 3.2,708 2,715 12,720 4,721 2,722 18,741 62,743 18,744 1,745 30,747 64,748 26,749 16,750 2,751 4,756 3,757 3,763 6,764 2,772 16,773 10,793 34,796 2,802 2,803 2,808 1,822 2,829 3,859 3,864 6,868 28,876 2,882 2,901 15.5,902 13,903 5.833,904 3.792,907 3.305,908 1.452,909 0.936,910 5.928,911 10.616,912 3.689,913 4.297,914 4.777,915 5.288,916 5.823,917 5.965,918 6.255,919 6.614,920 6.97,921 7.351,922 1,923 41,924 10.351,926 4.205,927 0.026,929 7.363,931 20.662,933 16.982,936 1.863,937 52.167,941 400.217,942 181.905,943 3.798,948 181.905,949 400.217,950 3.798,951 52.951,952 4.211,953 75.81,954 50.883,955 48.932,957 353.133,959 400.217,960 185.703,964 400.217,968 93.352,969 88.552,970 3.798,972 400.217,973 3.798,974 181.905,977 400.217,978 16.954,979 168.749,982 400.217,983 3.798,984 181.905,986 0.604,987 0.316,988 0.145,989 0.077,990 21,991 10,992 0.094,993 6,995 1,996 3.957,997 228.923,999 18,1000 91.096,1005 20.575,1006 8.067,1007 5.674,1010 26.581,1015 5.399,1016 4.499,1018 585.92,1019 39,1031 60.341,1032 69.64,1034 0.195,1035 0.451,1036 0.57,1037 0.608,1038 0.608,1039 0.608,1040 4.952,1041 1.515,1042 5.889,1043 4.65,1044 4.489,1045 4.984,1046 0.736,1047 6.737,1048 4.449,1049 6.202,1050 1.183,1051 7.492,1052 4.5,1053 4.443,1054 4.868,1056 8.05,1057 4.404,1058 7.536,1059 1,1060 9.212,1061 2.622,1062 6.225,1063 7.148,1064 0.259,1065 10.959,1066 6.161,1067 8.901,1068 1,1069 11.005,1070 2.275,1071 6.909,1072 7.697,1074 13.026,1075 6.86,1076 10.291,1077 0.092,1078 12.844,1079 2.275,1080 8.29,1081 9.55,1082 0.077,1083 15.598,1084 8.226,1085 11.7,1086 0.079,1087 14.714,1088 0.254,1089 9.267,1090 10.417,1092 17.922,1093 9.219,1094 13.123,1095 -0.526,1096 16.607,1097 0.205,1098 10.515,1099 12.062,1100 0.022,1101 20.407,1102 10.46,1103 3.314,1104 -0.627,1105 18.517,1106 -1.25,1107 11.614,1108 13.108,1110 22.817,1111 11.571,1112 3.313,1113 11.657,1114 20.44,1115 -1.648,1116 12.818,1117 14.633,1118 0.006,1119 25.28,1120 12.773,1121 2.781,1122 11.657,1123 22.371,1124 3.858,1125 13.969,1126 15.788,1128 27.719,1129 13.932,1130 2.551,1131 8.151,1132 24.31,1133 3.837,1134 15.161,1135 17.241,1136 0.002,1137 30.176,1138 15.125,1139 2.318,1140 7.417,1141 26.254,1142 3.671,1143 16.335,1144 18.464,1146 32.626,1147 16.303,1148 1.925,1149 6.532,1150 28.203,1151 3.2,1152 17.525,1153 19.872,1155 35.081,1156 17.494,1157 1.593,1158 5.481,1159 30.154,1160 3.101,1161 18.71,1162 21.138,1164 37.535,1165 18.682,1166 10264,1167 13190,1168 19.068,1169 40.194,1170 46.267,1171 45.627,1172 45.445,1173 45.298,1174 45.327,1175 58.306,1176 2.086,1177 135.351,1178 44.388,1179 5.239,1180 5.538,1181 6.662,1182 5.348,1183 5.314,1184 6.858,1185 1.043,1186 18.536,1187 5.311,1188 17.615,1189 1.542,1190 1.521,1191 1.515,1192 1.51,1193 1.511,1194 1.944,1195 0.07,1196 4.512,1197 1.48,1198 4.066,1199 4.11,1200 4,1201 3.969,1202 4.853,1203 3.971,1204 3.971,1205 4.016,1206 3.906,1207 3.868,1208 4.771,1209 3.871,1210 3.857,1211 3.89,1212 3.783,1213 3.801,1214 4.653,1215 3.793,1216 3.619,1217 3.69,1218 3.48,1219 3.466,1220 4.256,1221 3.461,1222 3.575,1223 3.645,1224 3.434,1225 3.425,1226 4.249,1227 3.418,1228 3.168,1229 3.233,1230 3.019,1231 3.053,1232 3.798,1233 3.037,1234 3.036,1235 3.11,1236 2.873,1237 2.9,1238 3.742,1239 2.884,1240 2.874,1241 3.009,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.148,1247 0.118,1248 0.237,1249 0.144,1250 0.11,1251 4.441,1252 0.129,1253 3.538,1254 0.017,1255 7.111,1256 0.389,1257 4.313,1258 0.11,1259 3.314,1260 3.858,1261 0.522,1262 11.657,1263 3.311,1264 2.006,1265 1.971,1266 2.124,1267 2.129,1268 1.311,1269 2.13,1270 1.952,1271 1.913,1272 2.088,1273 2.083,1274 1.286,1275 2.085,1276 1.869,1277 1.838,1278 2.017,1279 1.954,1280 1.211,1281 1.977,1282 1.616,1283 1.548,1284 1.85,1285 1.807,1286 1.012,1287 1.831,1288 1.57,1289 1.504,1290 1.795,1291 1.751,1292 0.881,1293 1.773,1294 1.19,1295 1.13,1296 1.449,1297 1.354,1298 0.651,1299 1.39,1300 1.054,1301 0.986,1302 1.417,1303 1.241,1304 0.488,1305 1.308,1306 0.934,1307 0.821,1308 1.417,1309 1.239,1310 0.469,1311 1.308,1312 4.111,1314 5.468,1316 6.997,1318 8.594,1320 10.223,1322 13.511,1328 1.789,1334 0.386,1340 36.472,1341 71.975,1342 166.523,1343 210.592,1344 224.592,1345 224.592,1346 224.592,1347 44.674,1348 7.311,1349 7.76,1350 7.76,1351 18,1352 12.389,1353 4.248,1354 3.322,1355 50.072,1356 129,1357 102,1358 0.189,1359 228.161,1360 389.46,1361 548.472,1362 15370,1364 20.364,1365 0.727,1366 0.655,1367 20.364,1368 18.342,1369 13.109,1370 0.437,1371 0.346,1372 10.316,1373 12.903,1374 9.7,1375 8.294,1376 13.109,1377 10.378,1378 13.537,1379 0.308,1380 0.229,1381 13.537,1382 10.067,1383 9.368,1384 0.187,1385 0.109,1386 9.368,1387 5.448,1388 7.302,1389 0.124,1390 0.06,1391 7.302,1392 3.566,1393 5.621,1394 0.078,1395 0.032,1396 5.621,1397 2.329,1398 0.307,1399 79.881,1400 0.229,1401 27.304,1402 0.493,1403 148,1404 254.666,1405 152.163,1406 267.131,1407 378.08,1408 250,1409 168,1410 290.507,1411 173.329,1412 309.809,1413 438.68,1414 286,1415 6.155}
{0 CHEMBL1642987,1 1.161,2 13.357,3 5.701,4 32.504,5 119.695,6 6.042,7 0.6,8 4.159,9 4.301,10 3.551,11 3.73,12 5.099,13 3.651,14 4.718,15 4.935,16 3.921,17 4.152,18 5.541,19 4.053,20 5.002,21 5.203,22 3.951,23 4.387,24 5.853,25 4.229,26 5.27,27 5.579,28 3.799,29 4.379,30 5.953,31 4.157,32 5.067,33 5.37,34 3.651,35 4.179,36 5.772,37 3.968,38 4.818,39 5.125,40 3.49,41 3.954,42 5.492,43 3.777,44 4.578,45 4.831,46 3.382,47 3.867,48 5.288,49 3.688,50 4.666,51 4.963,52 3.45,53 3.868,54 5.332,55 3.693,56 0.076,57 0.842,58 14.982,59 6.218,60 13.168,61 9.036,62 0.159,63 1.393,64 25.84,65 10.185,66 19.612,67 15.031,68 0.17,69 1.815,70 34.021,71 14.433,72 30.615,73 20.85,74 0.226,75 2.103,76 42.5,77 17.638,78 41.474,79 25.713,80 0.2,81 1.744,82 34.94,83 13.994,84 35.008,85 20.626,86 0.21,87 1.389,88 27.641,89 10.012,90 23.914,91 15.195,92 0.139,93 1.122,94 21.738,95 9.261,96 15.635,97 13.313,98 0.115,99 1.167,100 23.22,101 9.858,102 18.505,103 14.27,104 41,105 44,106 0.188,107 0.434,108 0.533,109 0.554,110 0.554,111 0.554,112 3.373,113 1.038,114 -5.84,115 -5.7,116 -5.31,121 41.9,122 6,125 2,127 2,144 8,145 4,147 4,176 18,187 24,189 6,200 15,203 6,214 4,216 6,227 10,229 8,239 14,251 18,254 1,264 18,277 14,279 4,281 1196,282 17.839,283 17.839,284 17.839,285 17.839,286 17.839,287 15.745,288 28.89,289 10.202,290 18.054,291 14.814,292 14.814,293 14.814,294 14.814,295 14.814,296 11.695,297 38.88,298 4.875,299 15.159,300 4.793,301 3.268,302 2.654,303 2.525,304 2.525,305 2.525,306 4.049,312 1,313 784,314 4.123,318 320.747,325 2.357,326 9.164,329 0.75,330 0.83,331 1,332 1,333 0.5,334 1,335 1,336 0.87,337 57,338 374,339 4.44,340 3.538,341 7.111,342 4.313,343 3.314,344 3.853,345 0.522,346 11.657,347 3.311,348 4.439,349 3.538,350 7.111,351 4.313,352 3.313,353 3.837,354 0.522,355 11.657,356 3.311,357 4.096,358 2.972,359 5.657,360 3.726,361 2.75,362 3.643,364 7.907,365 2.692,366 3.878,367 2.806,368 5.519,369 3.515,370 2.574,371 3.217,373 7.527,374 2.425,375 3.716,376 2.374,377 5.153,378 3.266,379 2.313,380 3.101,382 6.433,383 2.197,384 3.363,385 2.14,386 4.918,387 2.989,388 2,389 2.647,391 5.76,392 1.976,393 2.92,394 1.637,395 4.568,396 2.57,397 1.59,398 2.033,400 4.649,401 1.555,402 2.882,403 1.58,404 4.541,405 2.507,406 1.53,407 1.992,409 4.552,410 1.49,411 2.5,412 1,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.5,421 1,422 3.414,423 1.984,424 1,425 1.5,427 2.275,428 0.983,429 2.5,430 1,431 3.414,432 1.984,433 1,434 1.5,436 2.275,437 0.983,438 1.595,439 0.62,440 3.118,441 1.321,442 0.344,443 0.413,445 0.883,446 0.335,447 1.245,448 0.169,449 2.931,450 0.938,451 -0.029,452 -0.036,454 -0.078,455 -0.028,456 0.924,457 -0.245,458 2.676,459 0.551,460 -0.436,461 -0.557,463 -1.026,464 -0.43,465 0.5,466 -0.581,467 2.542,468 0.158,469 -0.824,470 -1,472 -2.218,473 -0.807,474 13.8,475 0.493,476 1.063,477 0.038,478 32.5,479 1.161,480 16,481 0.571,482 16.5,483 0.589,484 28.134,485 1.005,486 30.6,487 0.494,488 22.561,489 0.806,490 5.85,491 0.209,492 7.259,493 0.259,494 0.217,495 0.072,496 0.203,501 1.05,502 1.356,503 1.03,504 1.171,505 1.328,506 1.112,507 1.484,508 0.916,509 0.903,510 0.825,511 0.669,512 0.834,513 1.127,514 1.418,515 1.358,516 1.418,517 1.332,518 1.403,519 0.796,520 0.961,521 0.915,522 0.953,523 0.977,524 0.942,525 0.977,526 1.049,527 0.945,528 0.986,529 1.036,530 0.968,531 2.039,532 0.694,533 0.982,534 0.704,535 1,536 0.776,537 0.924,538 1.026,539 1.138,540 1.119,541 1.043,542 1.135,543 0.546,544 0.844,545 0.725,546 0.803,547 0.505,548 0.778,549 9,550 0.165,551 3.556,552 1.75,553 1.307,554 0.792,555 0.524,556 0.535,557 0.296,558 0.2,559 11000,560 17837,561 1.976,562 54.8,563 18,564 12,566 4,572 1.7,573 1.806,574 3.653,575 -0.919,582 71.975,583 1.161,584 2.686,585 3.3,586 3.429,587 3.429,588 3.429,589 3.039,590 2.842,591 4.777,592 3.911,593 1478.24,594 8.253,595 21110.3,600 369.16,601 1.724,602 4.698,603 0.3,604 0.009,605 0.081,606 0.043,607 0.038,608 0.027,609 0.02,610 0.023,611 0.011,612 0.008,613 0.562,614 0.5,615 0.88,616 0.92,617 145.243,618 0.147,619 -0.158,620 0.06,621 -0.048,622 -0.196,623 -0.007,624 -0.024,625 0.213,626 0.16,627 0.21,628 0.286,629 0.197,630 -0.161,631 -0.324,632 -0.326,633 -0.349,634 -0.272,635 -0.346,636 0.06,637 -0.025,638 0.045,639 0.012,640 0.035,641 0.025,642 0.076,643 -0.089,644 0.03,645 -0.029,647 -0.007,648 -0.273,649 0.332,650 0.036,651 0.21,652 -0.014,653 0.151,654 0.007,656 -0.137,657 -0.098,658 -0.168,659 -0.12,660 0.199,661 0.102,662 0.239,663 0.185,664 0.344,665 0.209,666 1.052,667 0.25,668 0.643,669 32.061,670 0.973,671 1.123,672 4.615,673 21.294,674 0.648,675 3.434,676 3.807,677 3.932,678 4.078,679 4.29,680 4.344,681 4.419,682 4.489,683 4.489,684 4.575,685 8.067,686 0.588,687 374.62,688 3.434,689 5.004,690 5.82,691 6.701,692 7.533,693 8.408,694 9.246,695 10.119,696 10.959,697 11.831,698 3.2,708 2,715 12,720 4,721 2,722 18,741 62,743 18,744 1,745 30,747 64,748 26,749 16,750 2,751 4,756 3,757 3,763 6,764 2,772 16,773 10,793 34,796 2,802 2,803 2,808 1,822 2,829 3,859 3,864 6,868 28,876 2,882 2,901 15.5,902 13,903 5.833,904 3.792,907 3.238,908 1.443,909 0.936,910 5.928,911 10.549,912 3.689,913 4.297,914 4.777,915 5.276,916 5.829,917 5.946,918 6.262,919 6.607,920 6.941,921 7.331,922 0.889,923 41,924 10.351,926 4.205,927 0.026,929 7.363,931 20.662,933 16.982,936 1.863,937 52.167,941 400.217,942 181.905,943 3.798,948 181.905,949 400.217,950 3.798,951 52.951,952 4.211,953 75.81,954 50.883,955 48.932,957 353.133,959 400.217,960 185.703,964 400.217,968 93.352,969 88.552,970 3.798,972 400.217,973 3.798,974 181.905,977 400.217,978 16.954,979 168.749,982 400.217,983 3.798,984 181.905,986 0.605,987 0.317,988 0.143,989 0.077,990 21,991 10,992 0.094,993 6,995 1,996 4.003,997 226.08,999 18,1000 79.586,1005 20.575,1006 8.067,1007 5.674,1010 26.601,1015 5.387,1016 4.481,1018 585.92,1019 39,1031 60.341,1032 69.64,1034 0.195,1035 0.451,1036 0.554,1037 0.576,1038 0.576,1039 0.576,1040 4.952,1041 1.53,1042 5.889,1043 4.649,1044 4.489,1045 4.984,1046 0.736,1047 6.735,1048 4.449,1049 6.202,1050 1,1051 7.492,1052 4.552,1053 4.443,1054 4.868,1056 8.05,1057 4.404,1058 7.536,1059 1,1060 9.212,1061 2.275,1062 6.225,1063 7.148,1064 0.259,1065 10.953,1066 6.161,1067 8.901,1068 1,1069 11.004,1070 2.275,1071 6.909,1072 7.697,1074 13.023,1075 6.86,1076 10.291,1077 0.344,1078 12.842,1079 2.275,1080 8.288,1081 9.548,1082 0.077,1083 15.592,1084 8.224,1085 11.7,1086 -0.029,1087 14.712,1088 0.883,1089 9.265,1090 10.411,1092 17.917,1093 9.217,1094 13.122,1095 -0.436,1096 16.605,1097 -0.078,1098 10.511,1099 12.054,1100 0.022,1101 20.403,1102 10.456,1103 3.314,1104 -0.824,1105 18.515,1106 -1.026,1107 11.61,1108 13.095,1110 22.814,1111 11.567,1112 3.313,1113 11.657,1114 20.437,1115 -2.218,1116 12.814,1117 14.62,1118 0.006,1119 25.277,1120 12.769,1121 2.75,1122 11.657,1123 22.369,1124 3.853,1125 13.965,1126 15.77,1128 27.717,1129 13.928,1130 2.574,1131 7.907,1132 24.307,1133 3.837,1134 15.156,1135 17.222,1136 0.002,1137 30.174,1138 15.12,1139 2.313,1140 7.527,1141 26.252,1142 3.643,1143 16.33,1144 18.441,1146 32.624,1147 16.299,1148 2,1149 6.433,1150 28.2,1151 3.217,1152 17.521,1153 19.85,1155 35.08,1156 17.49,1157 1.59,1158 5.76,1159 30.152,1160 3.101,1161 18.706,1162 21.112,1164 37.534,1165 18.678,1166 10792,1167 13850,1168 19.068,1169 40.194,1170 46.459,1171 45.699,1172 45.477,1173 45.456,1174 45.455,1175 58.474,1176 2.086,1177 135.701,1178 44.513,1179 5.233,1180 5.538,1181 6.525,1182 5.348,1183 5.314,1184 6.853,1185 1.043,1186 18.536,1187 5.311,1188 17.752,1189 1.549,1190 1.523,1191 1.516,1192 1.515,1193 1.515,1194 1.949,1195 0.07,1196 4.523,1197 1.484,1198 4.065,1199 4.108,1200 3.999,1201 3.968,1202 4.853,1203 3.969,1204 3.973,1205 4.018,1206 3.907,1207 3.869,1208 4.772,1209 3.872,1210 3.857,1211 3.89,1212 3.783,1213 3.801,1214 4.651,1215 3.793,1216 3.623,1217 3.693,1218 3.485,1219 3.471,1220 4.258,1221 3.467,1222 3.572,1223 3.642,1224 3.431,1225 3.421,1226 4.246,1227 3.415,1228 3.19,1229 3.253,1230 3.045,1231 3.081,1232 3.811,1233 3.065,1234 2.918,1235 3.009,1236 2.749,1237 2.735,1238 3.674,1239 2.723,1240 2.874,1241 3.009,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.148,1247 0.118,1248 0.237,1249 0.144,1250 0.11,1251 4.44,1252 0.128,1253 3.538,1254 0.017,1255 7.111,1256 0.389,1257 4.313,1258 0.11,1259 3.314,1260 3.853,1261 0.522,1262 11.657,1263 3.311,1264 2.005,1265 1.97,1266 2.124,1267 2.128,1268 1.31,1269 2.129,1270 1.953,1271 1.914,1272 2.088,1273 2.084,1274 1.286,1275 2.086,1276 1.869,1277 1.838,1278 2.017,1279 1.955,1280 1.208,1281 1.977,1282 1.619,1283 1.553,1284 1.853,1285 1.81,1286 1.022,1287 1.833,1288 1.567,1289 1.501,1290 1.793,1291 1.749,1292 0.88,1293 1.771,1294 1.212,1295 1.155,1296 1.463,1297 1.369,1298 0.665,1299 1.405,1300 0.934,1301 0.831,1302 1.417,1303 1.239,1304 0.469,1305 1.308,1306 0.934,1307 0.821,1308 1.417,1309 1.239,1310 0.469,1311 1.308,1312 4.111,1314 5.468,1316 6.997,1318 8.592,1320 10.219,1322 13.5,1328 1.802,1334 0.396,1340 36.472,1341 71.975,1342 166.523,1343 204.592,1344 212.592,1345 212.592,1346 212.592,1347 44.688,1348 7.311,1349 7.76,1350 7.76,1351 18,1352 12.379,1353 4.248,1354 3.322,1355 50.296,1356 140,1357 102,1358 0.178,1359 228.161,1360 389.46,1361 548.472,1362 15370,1364 20.364,1365 0.727,1366 0.655,1367 20.364,1368 18.342,1369 13.109,1370 0.437,1371 0.346,1372 10.316,1373 12.903,1374 9.701,1375 8.293,1376 13.109,1377 10.378,1378 13.526,1379 0.307,1380 0.229,1381 13.526,1382 10.064,1383 9.443,1384 0.189,1385 0.11,1386 9.443,1387 5.479,1388 7.174,1389 0.124,1390 0.06,1391 7.174,1392 3.492,1393 5.682,1394 0.079,1395 0.033,1396 5.682,1397 2.35,1398 0.293,1399 79.881,1400 0.229,1401 27.576,1402 0.455,1403 148,1404 254.666,1405 152.163,1406 267.066,1407 378.06,1408 250,1409 168,1410 290.507,1411 173.329,1412 309.675,1413 438.46,1414 286,1415 6.523}
{0 CHEMBL1642988,1 1.156,2 13.969,3 5.587,4 31.21,5 139.532,6 6.245,7 0.343,8 4.261,9 4.397,10 3.69,11 3.86,12 5.216,13 3.785,14 4.816,15 5.019,16 4.074,17 4.295,18 5.666,19 4.201,20 5.107,21 5.302,22 4.121,23 4.524,24 5.978,25 4.376,26 5.348,27 5.646,28 3.979,29 4.508,30 6.053,31 4.304,32 5.172,33 5.457,34 3.85,35 4.34,36 5.891,37 4.144,38 5.021,39 5.33,40 3.755,41 4.163,42 5.713,43 4,44 4.728,45 4.953,46 3.721,47 4.104,48 5.543,49 3.957,50 4.797,51 5.049,52 3.772,53 4.143,54 5.553,55 3.998,56 0.079,57 0.909,58 16.076,59 6.825,60 14.316,61 9.795,62 0.157,63 1.526,64 27.994,65 11.551,66 21.674,67 16.715,68 0.182,69 2.008,70 37.263,71 16.076,72 34.304,73 23.02,74 0.25,75 2.361,76 46.812,77 19.574,78 44.192,79 28.354,80 0.212,81 2.008,82 39.357,83 16.196,84 36.334,85 23.564,86 0.262,87 1.754,88 34.319,89 12.468,90 30.374,91 18.723,92 0.123,93 1.342,94 25.319,95 10.917,96 22.32,97 15.65,98 0.166,99 1.415,100 27.082,101 11.644,102 21.408,103 16.663,104 41,105 52,106 0.182,107 0.489,108 0.617,109 0.642,110 0.646,111 0.655,112 3.502,113 1.011,114 -6.49,115 -6.31,116 -5.86,121 44.1,122 6,123 2,125 2,137 4,138 4,139 2,144 4,145 2,147 4,176 23,187 32,189 6,200 24,203 6,214 10,216 6,227 12,229 10,239 14,241 4,251 22,253 2,264 28,267 1,277 24,281 1922,282 20.648,283 20.648,284 20.648,285 20.648,286 20.648,287 18.328,288 31.29,289 11.749,290 20.863,291 17.302,292 17.302,293 17.302,294 17.302,295 17.302,296 13.66,297 36.138,298 5.628,299 17.647,300 4.931,301 2.977,302 2.167,303 2.008,304 1.979,305 1.92,306 4.193,312 1,313 953,314 4.243,318 409.513,322 157.289,325 2.41,326 10.143,329 0.75,330 0.83,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.78,337 65,338 447,339 4.445,340 3.538,341 7.111,342 4.313,343 3.314,344 3.893,345 0.68,346 11.657,347 3.311,348 4.441,349 3.538,350 7.111,351 4.313,352 3.314,353 3.86,354 0.68,355 11.657,356 3.311,357 4.354,358 3.203,359 6.224,360 3.977,361 2.981,362 3.756,364 9.404,365 2.972,366 4.022,367 2.838,368 5.577,369 3.585,370 2.63,371 3.387,373 7.697,374 2.52,375 3.902,376 2.633,377 5.513,378 3.459,379 2.517,380 3.26,382 7.449,383 2.372,384 3.554,385 2.377,386 5.058,387 3.154,388 2.179,389 2.815,391 6.166,392 2.115,393 3.413,394 2.126,395 4.996,396 2.992,397 2,398 2.61,400 5.908,401 1.981,402 3.093,403 1.819,404 4.563,405 2.589,406 1.594,407 2.151,409 4.633,410 1.585,411 2.901,412 1.629,413 4.56,414 2.552,415 1.572,416 1.999,418 4.619,419 1.536,420 2.86,421 1.609,422 4.388,423 2.505,424 1.521,425 1.938,427 4.256,428 1.492,429 2.5,430 1.07,431 3.414,432 1.984,433 1,434 1.5,436 2.275,437 0.983,438 2.5,439 1,440 3.414,441 1.984,442 1,443 1.5,445 2.275,446 0.983,447 2.425,448 1,449 3.318,450 1.801,451 0.803,452 1.119,454 1.902,455 0.801,456 1.566,457 0.333,458 3.038,459 1.143,460 0.167,461 0.218,463 0.44,464 0.162,465 1.406,466 0.265,467 3.034,468 1.053,469 0.078,470 0.098,472 0.218,473 0.076,474 15.8,475 0.494,476 1.182,477 0.037,478 36.5,479 1.141,480 17.5,481 0.547,482 19,483 0.594,484 34.28,485 1.071,486 34,487 0.5,488 26.804,489 0.838,490 6.609,491 0.207,492 8.467,493 0.265,494 0.19,495 0.063,496 0.241,501 1.025,502 1.267,503 0.982,504 1.101,505 1.275,506 1.051,507 1.262,508 0.908,509 0.865,510 0.83,511 0.61,512 0.83,513 1.108,514 1.345,515 1.301,516 1.346,517 1.285,518 1.335,519 0.922,520 0.948,521 0.933,522 0.941,523 1.025,524 0.939,525 0.947,526 1.14,527 0.991,528 1.062,529 1.078,530 1.034,531 2.1,532 0.65,533 0.889,534 0.622,535 0.852,536 0.686,537 0.928,538 1.146,539 1.085,540 1.133,541 1.187,542 1.119,543 0.868,544 0.789,545 0.902,546 0.857,547 0.72,548 0.877,549 10,550 0.297,551 4,552 2.125,553 1.591,554 1.069,555 0.645,556 0.604,557 0.345,558 0.334,559 15669,560 26052,561 2.03,562 52.9,563 22,564 8,565 2,566 4,572 1.739,573 1.864,574 3.733,575 -0.929,582 78.623,583 1.156,584 3.111,585 3.921,586 4.079,587 4.109,588 4.167,589 3.179,590 3.39,591 4.968,592 3.973,593 1970.59,594 8.661,595 30358,600 413.947,601 1.703,602 4.9,603 0.286,604 0.011,605 0.077,606 0.043,607 0.038,608 0.03,609 0.018,610 0.018,611 0.009,612 0.01,613 0.539,614 0.5,615 0.88,616 0.859,617 171.769,618 0.142,619 -0.12,620 0.066,621 -0.025,622 -0.181,623 0.01,624 0.021,625 0.188,626 0.167,627 0.196,628 0.327,629 0.19,630 -0.154,631 -0.281,632 -0.291,633 -0.305,634 -0.234,635 -0.304,636 0.029,637 0.01,638 0.042,639 0.03,640 -0.008,641 0.035,642 0.098,643 -0.164,644 -0.007,645 -0.09,646 -0.067,647 -0.06,648 -0.209,649 0.386,650 0.133,651 0.29,652 0.134,653 0.239,654 -0.029,655 -0.115,656 -0.087,657 -0.107,658 -0.182,659 -0.101,660 0.08,661 0.223,662 0.093,663 0.151,664 0.178,665 0.128,666 1.072,667 0.366,668 0.688,669 39.695,670 0.974,671 1.118,672 5.256,673 27.624,674 0.661,675 3.584,676 3.97,677 4.143,678 4.344,679 4.595,680 4.7,681 4.812,682 4.963,683 5.056,684 5.204,685 8.347,686 0.603,687 424.68,688 3.584,689 5.165,690 5.999,691 6.891,692 7.74,693 8.628,694 9.483,695 10.369,696 11.226,697 12.111,698 2.9,708 2,715 8,720 2,721 2,722 12,741 68,743 17,745 35,747 71,748 30,749 10,752 10,756 4,757 5,763 6,764 2,767 2,770 2,772 20,773 10,777 5,784 6,786 4,793 36,796 2,802 2,803 2,808 0.75,822 2,829 4,833 1,849 4,850 4,859 3,864 6,868 32,876 2,882 2,901 17.167,902 14.167,903 6.611,904 4.201,907 4.356,908 1.538,909 0.961,910 6.116,911 12.446,912 3.85,913 4.454,914 4.98,915 5.496,916 6.051,917 6.381,918 6.794,919 7.195,920 7.593,921 8.041,922 1,923 50,924 11.83,926 4.9,927 0.026,929 7.359,931 23.626,933 19.78,936 1.859,937 59.5,941 423.76,942 207.228,943 3.798,948 207.228,949 423.76,950 3.798,951 52.951,952 23.164,953 75.81,954 50.883,955 55.303,956 23.542,957 353.133,959 423.76,960 211.026,964 423.76,968 94.21,969 75.113,970 41.703,972 423.76,973 3.798,974 207.228,977 423.76,978 24.183,979 186.844,982 423.76,983 3.798,984 207.228,986 0.607,987 0.325,988 0.153,989 0.084,990 26,991 12,992 0.056,993 4,994 1,995 1.091,996 4.332,997 285.002,998 0.091,999 22,1000 142.49,1005 22.516,1006 8.693,1007 5.585,1010 17.526,1015 2.714,1016 4.332,1018 634.786,1019 46,1026 13.706,1028 5.426,1031 66.225,1032 76.055,1034 0.19,1035 0.511,1036 0.644,1037 0.67,1038 0.675,1039 0.685,1040 5.136,1041 1.594,1042 6.061,1043 5.908,1044 4.654,1045 5.142,1046 1.047,1047 6.917,1048 4.62,1049 6.393,1050 1.572,1051 7.665,1052 4.633,1053 4.575,1054 5.017,1056 8.179,1057 4.541,1058 7.734,1059 1.521,1060 9.382,1061 4.619,1062 6.385,1063 7.306,1064 0.618,1065 11.113,1066 6.332,1067 9.104,1068 1,1069 11.166,1070 4.256,1071 7.04,1072 7.872,1074 13.134,1075 6.997,1076 10.499,1077 1,1078 12.994,1079 2.275,1080 8.432,1081 9.703,1082 0.333,1083 15.709,1084 8.377,1085 11.913,1086 0.803,1087 14.853,1088 2.275,1089 9.389,1090 10.604,1092 18.004,1093 9.347,1094 13.339,1095 0.167,1096 16.734,1097 1.902,1098 10.639,1099 12.216,1100 0.168,1101 20.483,1102 10.59,1103 3.314,1104 0.078,1105 18.632,1106 0.44,1107 11.724,1108 13.301,1110 22.876,1111 11.686,1112 3.314,1113 11.657,1114 20.543,1115 0.218,1116 12.925,1117 14.795,1118 0.081,1119 25.331,1120 12.885,1121 2.981,1122 11.657,1123 22.464,1124 3.893,1125 14.066,1126 15.986,1128 27.759,1129 14.033,1130 2.63,1131 9.404,1132 24.393,1133 3.86,1134 15.253,1135 17.415,1136 0.038,1137 30.21,1138 15.22,1139 2.517,1140 7.697,1141 26.328,1142 3.756,1143 16.419,1144 18.667,1146 32.653,1147 16.39,1148 2.179,1149 7.449,1150 28.268,1151 3.387,1152 17.604,1153 20.06,1154 0.018,1155 35.104,1156 17.575,1157 2,1158 6.166,1159 30.212,1160 3.26,1161 18.782,1162 21.349,1164 37.553,1165 18.756,1166 15045,1167 19537,1168 22.652,1169 44.955,1170 55.336,1171 53.775,1172 53.495,1173 53.317,1174 53.34,1175 68.206,1176 2.72,1177 161.111,1178 52.398,1179 5.347,1180 5.538,1181 6.525,1182 5.348,1183 5.314,1184 6.893,1185 1.36,1186 18.536,1187 5.311,1188 19.42,1189 1.581,1190 1.536,1191 1.528,1192 1.523,1193 1.524,1194 1.949,1195 0.078,1196 4.603,1197 1.497,1198 4.08,1199 4.118,1200 4.019,1201 3.999,1202 4.876,1203 3.998,1204 3.979,1205 4.023,1206 3.919,1207 3.877,1208 4.804,1209 3.881,1210 3.903,1211 3.936,1212 3.834,1213 3.84,1214 4.655,1215 3.834,1216 3.663,1217 3.721,1218 3.553,1219 3.554,1220 4.347,1221 3.548,1222 3.594,1223 3.664,1224 3.46,1225 3.444,1226 4.27,1227 3.44,1228 3.439,1229 3.493,1230 3.308,1231 3.335,1232 4.158,1233 3.321,1234 3.181,1235 3.235,1236 3.058,1237 3.092,1238 3.914,1239 3.077,1240 3.005,1241 3.064,1242 2.881,1243 2.898,1244 3.712,1245 2.888,1246 0.127,1247 0.101,1248 0.203,1249 0.123,1250 0.095,1251 4.445,1252 0.111,1253 3.538,1254 0.019,1255 7.111,1256 0.333,1257 4.313,1258 0.095,1259 3.314,1260 3.893,1261 0.68,1262 11.657,1263 3.311,1264 2.023,1265 1.994,1266 2.129,1267 2.126,1268 1.329,1269 2.129,1270 1.958,1271 1.92,1272 2.089,1273 2.086,1274 1.281,1275 2.088,1276 1.906,1277 1.874,1278 2.049,1279 1.997,1280 1.264,1281 2.015,1282 1.665,1283 1.614,1284 1.868,1285 1.825,1286 1.021,1287 1.847,1288 1.586,1289 1.521,1290 1.81,1291 1.771,1292 0.905,1293 1.792,1294 1.459,1295 1.407,1296 1.669,1297 1.59,1298 0.833,1299 1.62,1300 1.204,1301 1.155,1302 1.433,1303 1.34,1304 0.562,1305 1.375,1306 1.014,1307 0.962,1308 1.417,1309 1.239,1310 0.469,1311 1.308,1312 4.263,1314 5.631,1316 7.175,1318 8.792,1320 10.444,1322 13.508,1328 1.931,1334 0.357,1340 40.998,1341 78.623,1342 211.517,1343 266.624,1344 277.379,1345 279.379,1346 283.379,1347 48.151,1348 8.09,1349 7.76,1350 7.76,1351 24,1352 12.649,1353 4.17,1354 3.585,1355 52.225,1356 159,1357 138,1358 0.157,1359 253.282,1360 451.92,1361 609.767,1362 40645,1364 22.933,1365 0.717,1366 0.641,1367 22.933,1368 20.497,1369 15.076,1370 0.431,1371 0.337,1372 11.735,1373 14.869,1374 11.083,1375 9.419,1376 15.076,1377 11.793,1378 15.517,1379 0.298,1380 0.216,1381 15.517,1382 11.226,1383 11.307,1384 0.182,1385 0.104,1386 11.307,1387 6.417,1388 8.988,1389 0.118,1390 0.057,1391 8.988,1392 4.315,1393 7.304,1394 0.075,1395 0.03,1396 7.304,1397 2.961,1398 0.255,1399 91.679,1400 0.21,1401 30.516,1402 0.408,1403 174,1404 304.666,1405 178.163,1406 319.496,1407 457.36,1408 300,1409 201,1410 356.07,1411 206.329,1412 377.669,1413 540.63,1414 351,1415 7.31}
{0 CHEMBL1643944,1 1.163,2 16.667,3 6.578,4 43.275,5 127.242,6 6.229,7 0.667,8 4.204,9 4.341,10 3.634,11 3.8,12 5.109,13 3.726,14 4.771,15 4.972,16 3.91,17 4.204,18 5.575,19 4.088,20 5.088,21 5.354,22 3.921,23 4.347,24 5.786,25 4.18,26 5.1,27 5.387,28 3.738,29 4.268,30 5.744,31 4.066,32 5.031,33 5.334,34 3.58,35 4.153,36 5.619,37 3.938,38 4.931,39 5.231,40 3.465,41 4.069,42 5.503,43 3.849,44 4.88,45 5.18,46 3.421,47 4.025,48 5.456,49 3.804,50 4.829,51 5.129,52 3.376,53 3.974,54 5.411,55 3.754,56 0.075,57 0.866,58 15.239,59 6.432,60 10.981,61 9.251,62 0.162,63 1.466,64 26.903,65 10.797,66 17.96,67 15.75,68 0.2,69 1.876,70 36.294,71 15.009,72 25.915,73 21.788,74 0.205,75 1.858,76 36.596,77 14.999,78 26.135,79 21.848,80 0.199,81 1.709,82 34.085,83 13.818,84 22.102,85 20.192,86 0.167,87 1.535,88 30.697,89 12.814,90 18.442,91 18.578,92 0.151,93 1.454,94 29.107,95 12.334,96 17.589,97 17.816,98 0.145,99 1.382,100 27.661,101 11.683,102 17.106,103 16.89,105 42,106 0.185,107 0.415,108 0.555,109 0.659,110 0.716,111 0.746,112 3.439,113 1.076,114 -6.56,115 -6.39,116 -5.92,121 43.8,123 8,127 2,144 10,145 4,147 4,176 21,187 22,189 6,200 15,203 6,214 10,216 6,227 11,229 4,239 14,241 2,251 15,253 2,264 14,266 2,277 14,279 2,281 1616,282 21.104,283 21.104,284 21.104,285 21.104,286 21.104,287 18.57,288 9.487,289 13.29,290 21.319,291 16.392,292 16.392,293 16.392,294 16.392,295 16.392,296 12.651,297 5,298 6.44,299 16.74,300 4.837,301 3.39,302 2.511,303 1.86,304 1.5,305 1.313,306 4.148,312 1,313 1106,314 3.606,318 381.309,322 322.205,325 2.533,326 6.682,329 0.75,330 0.67,331 0.67,332 0.7,333 0.5,334 0.67,335 0.5,336 0.64,337 61,338 500,339 4.406,340 2.944,341 6.183,342 3.908,343 2.923,344 4.336,346 9.226,347 2.883,348 4.406,349 2.944,350 6.183,351 3.908,352 2.923,353 4.336,355 9.226,356 2.883,357 3.648,358 2.412,359 5.257,360 3.243,361 2.305,362 3.056,364 6.678,365 2.159,366 3.648,367 2.41,368 5.257,369 3.239,370 2.303,371 3.056,373 6.678,374 2.151,375 3.118,376 1.89,377 4.415,378 2.883,379 1.888,380 2.427,382 4.371,383 1.875,384 3.118,385 1.618,386 4.415,387 2.614,388 1.618,389 2.427,391 4.371,392 1.612,393 2.932,394 1.618,395 3.913,396 2.614,397 1.618,398 2.099,400 3.81,401 1.612,402 2.908,403 1.618,404 3.693,405 2.612,406 1.618,407 2.098,409 3.308,410 1.607,411 2.875,412 1.438,413 3.622,414 2.427,415 1.429,416 1.901,418 3.031,419 1.425,420 2.637,421 1.408,422 3.6,423 2.395,424 1.4,425 1.642,427 2.986,428 1.392,429 2.303,430 1.196,431 3.36,432 2.186,433 1.196,434 1.281,436 2.501,437 1.183,438 2.195,439 0.833,440 3.185,441 1.801,442 0.812,443 1.065,445 1.777,446 0.802,447 2.138,448 0.712,449 3.147,450 1.686,451 0.698,452 1.002,454 1.597,455 0.689,456 1.793,457 0.618,458 2.971,459 1.606,460 0.618,461 0.733,463 1.378,464 0.61,465 1.379,466 0.285,467 2.652,468 1.228,469 0.245,470 0.267,472 0.54,473 0.24,474 14.8,475 0.493,476 0.376,477 0.013,478 36,479 1.2,480 18,481 0.6,482 18,483 0.6,484 26.925,485 0.898,486 32,487 0.5,488 21.785,489 0.726,490 6.465,491 0.215,492 8.418,493 0.281,496 0.189,501 1.024,502 1.284,503 0.981,504 1.108,505 0.832,506 1.054,507 1.57,508 1.144,509 1.143,510 1.084,511 0.907,512 1.092,513 1.063,514 1.009,515 0.985,516 0.984,517 0.844,518 0.982,519 1.074,520 1.057,521 1.035,522 1.039,523 0.978,524 1.036,525 1.153,526 0.947,527 0.995,528 0.952,529 0.936,530 0.963,531 0.992,532 0.938,533 1.006,534 0.978,535 0.93,536 0.99,537 0.855,538 0.954,539 0.991,540 0.994,541 0.927,542 0.998,543 0.874,544 0.948,545 0.985,546 0.984,547 0.956,548 0.989,549 3.5,550 0.066,551 2,552 0.75,553 1.111,554 0.292,555 0.201,556 0.142,557 0.106,558 0.082,559 17389,560 30707,561 2.169,562 53.1,563 12,564 14,566 4,569 4,572 1.713,573 2.143,574 3.989,575 -0.924,582 74.42,583 1.163,584 2.61,585 3.489,586 4.14,587 4.5,588 4.688,589 3.374,590 3.907,591 4.886,592 4.197,593 1825.85,594 8.433,595 30214.4,600 384,601 0.722,602 4.885,603 0.106,604 0.003,605 0.048,606 0.018,607 0.035,608 0.011,609 0.008,610 0.006,611 0.005,612 0.004,613 0.244,614 0.5,615 0.75,617 163.839,618 0.144,619 -0.127,620 0.071,621 -0.026,622 0.21,623 0.01,624 -0.15,625 -0.032,626 -0.105,627 -0.066,628 0.072,629 -0.08,630 -0.009,631 -0.006,632 0.008,633 0.004,634 0.116,635 0.006,636 -0.024,637 -0.081,638 -0.052,639 -0.069,640 -0.025,641 -0.063,642 -0.056,643 0.016,644 -0.016,645 0.004,646 -0.048,647 -0.003,648 -0.066,649 0.013,650 -0.036,651 -0.011,652 -0.085,653 -0.02,654 -0.028,655 -0.012,656 -0.025,657 -0.019,658 -0.079,659 -0.021,660 -0.027,661 -0.004,662 -0.019,663 -0.011,664 -0.087,665 -0.014,666 0.367,667 0.34,668 0.667,669 35.324,670 0.974,671 1.119,672 5.332,673 28.431,674 0.659,675 3.526,676 3.761,677 3.989,678 4.205,679 4.431,680 4.369,681 4.407,682 4.443,683 4.454,684 4.174,685 9.875,686 0.601,687 398.64,688 3.526,689 5.017,690 5.832,691 6.663,692 7.494,693 8.334,694 9.172,695 10.017,696 10.86,697 11.707,698 3.1,708 2,714 4,715 14,721 2,722 22,741 64,743 22,744 2,745 33,747 67,748 28,749 18,750 4,751 8,756 4,757 6,770 8,772 18,773 10,793 34,796 2,802 2,803 2,808 0.5,822 2,829 4,833 2,859 2,868 30,876 10,901 14,902 11.167,903 6.806,904 4.514,907 4.215,908 1.553,909 1.001,910 7.715,911 11.837,912 3.807,913 4.382,914 4.987,915 5.587,916 6.192,917 6.387,918 6.71,919 7.028,920 7.303,921 6.573,922 0.909,923 41,924 11.128,926 4.549,927 0.026,929 7.289,931 22.577,933 18.736,936 1.789,937 53.667,941 400.217,942 165.732,943 3.798,948 165.732,949 400.217,950 3.798,952 24.488,953 94.762,954 50.883,955 46.482,957 353.133,959 400.217,960 169.53,964 353.133,965 47.084,968 60.677,969 105.054,970 3.798,972 400.217,973 3.798,974 165.732,977 400.217,978 34.78,979 134.75,982 400.217,983 3.798,984 165.732,986 0.554,987 0.314,988 0.172,989 0.096,990 18,991 6,992 0.164,993 11,994 2,995 1.2,996 4.654,997 235.257,998 0.2,999 20,1000 117.207,1005 20.841,1006 11.105,1007 6.289,1008 5.323,1010 30.661,1016 4.68,1018 569.747,1019 44,1031 62.341,1032 71.64,1034 0.194,1035 0.435,1036 0.581,1037 0.69,1038 0.75,1039 0.781,1040 4.98,1041 1.618,1042 5.74,1043 3.81,1044 4.443,1045 5.069,1047 6.438,1048 4.401,1049 6.14,1050 1.429,1051 7.213,1052 3.308,1053 3.611,1054 4.691,1056 7.081,1057 3.519,1058 7.409,1059 1.4,1060 8.79,1061 3.031,1062 5.911,1063 7.3,1065 10.191,1066 5.823,1067 8.722,1068 1.196,1069 10.434,1070 2.986,1071 5.994,1072 7.867,1074 11.755,1075 5.869,1076 10.074,1077 0.812,1078 12.125,1079 2.501,1080 7.65,1081 9.862,1083 14.312,1084 7.525,1085 11.455,1086 0.698,1087 13.848,1088 1.777,1089 8.215,1090 10.891,1092 16.251,1093 8.069,1094 12.858,1095 0.618,1096 15.594,1097 1.597,1098 9.562,1099 12.607,1101 18.606,1102 9.41,1103 2.923,1104 0.245,1105 17.357,1106 1.378,1107 10.38,1108 13.864,1110 20.703,1111 10.217,1112 2.923,1113 9.226,1114 19.132,1115 0.54,1116 11.578,1117 15.448,1119 22.979,1120 11.405,1121 2.305,1122 9.226,1123 20.917,1124 4.336,1125 12.525,1126 16.815,1128 25.145,1129 12.343,1130 2.303,1131 6.678,1132 22.708,1133 4.336,1134 13.653,1135 18.337,1137 27.39,1138 13.461,1139 1.888,1140 6.678,1141 24.505,1142 3.056,1143 14.664,1144 19.757,1146 29.586,1147 14.463,1148 1.618,1149 4.371,1150 26.306,1151 3.056,1152 15.759,1153 21.25,1155 31.817,1156 15.547,1157 1.618,1158 4.371,1159 28.111,1160 2.427,1161 16.801,1162 22.694,1164 34.027,1165 16.579,1166 15960,1167 21326,1168 23.227,1169 42.194,1170 47.005,1171 47.159,1172 47.34,1173 47.247,1174 47.188,1175 63.45,1177 122.954,1178 46.246,1179 5.367,1180 4.944,1181 6.108,1182 4.944,1183 4.923,1184 7.336,1186 15.535,1187 4.883,1189 1.424,1190 1.429,1191 1.435,1192 1.432,1193 1.43,1194 1.923,1196 3.726,1197 1.401,1198 4.122,1199 4.157,1200 4.068,1201 4.045,1202 4.938,1203 4.046,1204 4.083,1205 4.116,1206 4.034,1207 4.011,1208 4.906,1209 4.012,1210 3.798,1211 3.859,1212 3.643,1213 3.684,1214 4.395,1215 3.665,1216 3.682,1217 3.745,1218 3.55,1219 3.547,1220 4.391,1221 3.537,1222 3.57,1223 3.635,1224 3.453,1225 3.417,1226 4.181,1227 3.418,1228 3.444,1229 3.511,1230 3.301,1231 3.306,1232 3.999,1233 3.299,1234 3.275,1235 3.347,1236 3.098,1237 3.15,1238 3.888,1239 3.129,1240 3.101,1241 3.171,1242 2.957,1243 2.982,1244 3.851,1245 2.968,1246 0.134,1247 0.089,1248 0.187,1249 0.118,1250 0.089,1251 4.406,1252 0.131,1253 2.944,1255 6.183,1256 0.28,1257 3.908,1258 0.087,1259 2.923,1260 4.336,1262 9.226,1263 2.883,1264 2.07,1265 2.043,1266 2.164,1267 2.169,1268 1.436,1269 2.17,1270 2.069,1271 2.042,1272 2.161,1273 2.168,1274 1.345,1275 2.168,1276 1.812,1277 1.752,1278 2.051,1279 1.96,1280 1.284,1281 1.995,1282 1.691,1283 1.628,1284 1.933,1285 1.853,1286 1.22,1287 1.883,1288 1.556,1289 1.492,1290 1.783,1291 1.738,1292 1.063,1293 1.756,1294 1.441,1295 1.38,1296 1.656,1297 1.62,1298 0.852,1299 1.64,1300 1.302,1301 1.237,1302 1.56,1303 1.476,1304 0.682,1305 1.512,1306 1.126,1307 1.06,1308 1.43,1309 1.309,1310 0.585,1311 1.354,1312 4.205,1314 5.46,1316 6.917,1318 8.475,1320 10.09,1328 13.003,1340 38.472,1341 74.42,1342 167.039,1343 223.271,1344 264.98,1345 288,1346 300,1347 38.55,1348 7.622,1349 7.76,1350 7.76,1351 24,1352 12.268,1353 4.524,1354 3.585,1355 47.896,1356 185,1357 130,1358 0.12,1359 237.024,1360 398.16,1361 570.1,1362 29807,1364 20.435,1365 0.681,1366 0.605,1367 20.435,1368 18.154,1369 14.882,1370 0.451,1371 0.359,1372 11.776,1373 14.676,1374 11.543,1375 9.672,1376 14.882,1377 11.838,1378 12.373,1379 0.295,1380 0.207,1381 12.373,1382 8.691,1383 10.271,1384 0.194,1385 0.119,1386 10.271,1387 6.309,1388 8.392,1389 0.127,1390 0.068,1391 8.392,1392 4.507,1393 6.99,1394 0.084,1395 0.039,1396 6.99,1397 3.265,1398 0.205,1399 90.518,1400 0.207,1401 30.149,1402 0.287,1403 150,1404 266.666,1405 154.163,1406 275.43,1407 395.92,1408 262,1409 170,1410 304.507,1411 175.329,1412 315.567,1413 455.34,1414 300,1415 7.301}
{0 CHEMBL1651038,1 1.189,2 9.933,3 4.199,4 17.632,5 128.834,6 5.457,8 4.368,9 4.52,10 3.665,11 3.887,12 5.166,13 3.795,14 5.034,15 5.261,16 4.141,17 4.416,18 5.683,19 4.304,20 5.444,21 5.657,22 4.433,23 4.807,24 6.139,25 4.665,26 5.824,27 6.097,28 4.444,29 4.99,30 6.482,31 4.785,32 5.938,33 6.251,34 4.299,35 4.95,36 6.583,37 4.711,38 5.815,39 6.15,40 4.031,41 4.773,42 6.38,43 4.505,44 5.546,45 5.878,46 3.91,47 4.558,48 6.09,49 4.311,50 5.374,51 5.682,52 3.77,53 4.429,54 5.94,55 4.185,56 0.108,57 1.06,58 19.937,59 8.2,60 11.255,61 11.917,62 0.23,63 1.867,64 36.464,65 14.583,66 14.718,67 21.402,68 0.309,69 2.777,70 54.694,71 22.775,72 26.495,73 32.893,74 0.498,75 3.571,76 74.417,77 29.949,78 53.312,79 43.811,80 0.591,81 3.577,82 79.301,83 30.595,84 74.757,85 44.991,86 0.486,87 3.051,88 67.854,89 26.461,90 56.649,91 39.031,92 0.324,93 2.403,94 52.054,95 20.959,96 36.793,97 30.743,98 0.273,99 2.122,100 45.147,101 17.872,102 28.119,103 26.462,104 87,105 54,106 0.188,107 0.438,108 0.701,109 0.799,110 0.836,111 0.848,112 3.442,113 1.127,114 -5.8,115 -5.66,116 -5.27,121 35.5,122 5,123 6,124 3,125 3,126 3,129 3,137 2,138 2,176 21,180 2,185 4,187 36,192 1,197 6,200 43,206 4,209 1,211 7,214 35,219 3,224 5,227 26,232 2,237 4,239 19,244 2,249 4,251 17,256 2,261 6,264 8,269 2,274 5,277 2,281 1232,282 19.152,283 19.152,284 19.152,285 19.152,286 19.152,287 18.71,288 27.627,289 10.252,290 19.378,291 16.07,292 16.07,293 16.07,294 16.07,295 16.07,296 15.358,297 39.471,298 4.588,299 16.377,300 5.059,301 3.468,302 1.804,303 1.185,304 0.948,305 0.869,306 4.123,312 1,313 633,314 4.416,317 46.616,318 107.08,319 53.308,321 77.094,323 182.679,325 1.476,326 21.466,329 0.75,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.94,337 62,338 298,339 4.993,340 4.023,341 8.704,342 4.98,343 3.982,344 4.031,345 0.8,346 17.604,347 3.975,348 4.59,349 3.671,350 7.726,351 4.554,352 3.558,353 3.68,354 0.68,355 13.916,356 3.543,357 4.087,358 3.153,359 7.021,360 3.96,361 2.976,362 3.267,363 0.4,364 11.32,365 2.932,366 3.794,367 2.858,368 6.223,369 3.591,370 2.612,371 2.858,373 8.687,374 2.559,375 3.469,376 2.647,377 6,378 3.333,379 2.353,380 2.547,382 7.98,383 2.301,384 3.321,385 2.403,386 5.641,387 3.148,388 2.168,389 2.341,391 7.017,392 2.131,393 3.092,394 2.299,395 5.367,396 3.005,397 2.051,398 2.093,400 6.061,401 1.942,402 2.959,403 2.088,404 5.062,405 2.894,406 1.912,407 1.958,409 5.435,410 1.873,411 2.51,412 1.54,413 4.511,414 2.442,415 1.452,416 1.497,418 3.931,419 1.436,420 2.137,421 1.339,422 4.045,423 2.052,424 1.092,425 1.111,427 2.789,428 1.045,429 1.837,430 1.029,431 3.745,432 1.768,433 0.806,434 0.814,436 1.935,437 0.773,438 1.824,439 0.949,440 3.572,441 1.657,442 0.674,443 0.727,445 1.502,446 0.662,447 1.248,448 0.405,449 3.307,450 1.181,451 0.198,452 0.201,454 0.454,455 0.195,456 1.122,457 0.102,458 3.212,459 0.984,460 -0.01,461 -0.011,463 -0.027,464 -0.01,465 0.838,466 0.033,467 3.142,468 0.789,469 -0.197,470 -0.2,472 -0.448,473 -0.192,474 14.633,475 0.488,476 1.289,477 0.043,478 21,479 0.7,480 3,481 0.1,482 18,483 0.6,484 53.202,485 1.773,486 36.367,487 0.479,488 11.848,489 0.395,490 2.563,491 0.085,492 11.407,493 0.38,494 0.296,495 0.103,496 0.301,501 1.06,502 1.427,503 1.174,504 1.3,505 1.196,506 1.253,507 1.099,508 0.948,509 0.977,510 0.92,511 0.774,512 0.929,513 1.002,514 1.273,515 1.201,516 1.269,517 1.003,518 1.251,519 0.813,520 1.225,521 1.155,522 1.245,523 0.795,524 1.224,525 1.271,526 0.984,527 1.037,528 1.004,529 1.404,530 1.01,531 1.022,532 0.893,533 0.944,534 0.915,535 1.105,536 0.927,537 0.672,538 0.889,539 0.844,540 0.897,541 0.75,542 0.886,543 0.694,544 1.164,545 1.051,546 1.15,547 0.662,548 1.127,549 9.5,550 0.189,551 7.556,552 5.299,553 3.267,554 1.824,555 0.991,556 0.825,557 0.459,558 0.323,559 9394,560 13620,561 1.966,562 60.5,563 22,564 14,567 2,569 7,570 1,572 1.734,573 1.739,574 3.237,575 0.078,582 90.377,583 1.189,584 2.78,585 4.444,586 5.063,587 5.3,588 5.379,589 2.744,590 4.44,591 4.878,592 3.376,593 1468.38,594 8.541,595 18584.7,600 474.842,601 1.895,602 4.76,603 0.288,604 0.011,605 0.14,606 0.077,607 0.052,608 0.035,609 0.025,610 0.022,611 0.015,612 0.014,613 0.68,614 0.67,615 0.88,616 1.109,617 148.717,618 -0.001,619 -0.033,620 0.059,621 0.034,622 -0.166,623 0.045,624 -0.045,625 0.289,626 0.161,627 0.25,629 0.226,630 -0.063,631 -0.042,632 -0.074,633 -0.057,634 -0.061,635 -0.065,636 0.028,637 -0.147,638 -0.126,639 -0.168,640 0.039,641 -0.158,642 -0.065,643 -0.034,644 -0.053,645 -0.037,646 -0.037,647 -0.044,648 -0.042,649 0.011,650 -0.005,651 0.016,652 -0.037,653 0.008,654 0.043,655 0.032,656 0.084,657 0.061,658 0.017,659 0.073,660 0.013,661 -0.173,662 -0.084,663 -0.147,664 -0.007,665 -0.126,666 1.534,667 5.313,668 0.6,669 25.209,670 0.973,671 1.136,672 4.568,673 20.871,674 0.608,675 3.526,676 4.007,677 4.394,678 4.71,679 4.949,680 5.142,681 5.361,682 5.572,683 5.727,684 5.916,685 5.722,686 0.544,687 414.75,688 3.526,689 5.165,690 6.094,691 7.06,692 8.011,693 8.981,694 9.94,695 10.913,696 11.877,697 12.851,698 2.6,700 1,701 1,741 76,743 2,745 33,747 79,748 27,752 4,756 4,757 10,763 5,764 3,766 3,767 8,768 3,770 9,772 4,773 23,774 3,777 2,784 2,786 2,793 46,794 3,795 2,796 3,802 2,808 0.25,809 1,811 1,828 1,829 2,830 1,832 1,834 2,849 2,850 2,853 1,855 1,857 1,859 1,864 8,868 30,875 1,876 6,877 1,880 6,881 1,882 3,893 1.3,894 1,901 17.25,902 15.567,903 6.285,904 4.943,907 0.833,908 1.101,909 0.877,910 5.607,911 9.112,912 3.584,913 4.111,914 4.554,915 4.963,916 5.308,917 5.635,918 5.956,919 6.267,920 6.498,921 6.739,922 0.857,923 69,924 11.291,926 4.951,927 0.026,929 7.319,931 23.146,933 21.318,936 1.819,937 54.583,941 517.928,942 109.846,943 21.135,945 42.683,948 109.846,949 560.612,950 21.135,951 69.315,952 15.207,953 79.647,955 9.495,957 517.928,959 517.928,960 130.981,961 42.683,964 423.76,965 94.169,966 42.683,968 80.468,969 31.56,970 18.952,972 517.928,973 63.818,974 109.846,977 517.928,978 21.578,979 91.392,980 18.011,981 42.683,982 517.928,983 63.818,984 109.846,986 0.623,987 0.399,988 0.209,989 0.107,990 30,991 15,992 0.038,993 3,994 3,995 1.333,996 3.63,997 305.062,998 0.333,999 18,1000 141.207,1005 22.554,1006 7.458,1007 3.134,1009 63.818,1017 60.694,1018 691.593,1019 35,1026 5.197,1028 3.292,1031 73.97,1032 86.34,1034 0.19,1035 0.445,1036 0.711,1037 0.81,1038 0.848,1039 0.861,1040 4.997,1041 1.912,1042 6.221,1043 6.061,1044 4.691,1045 4.796,1046 1.165,1047 7.283,1048 4.662,1049 6.246,1050 1.452,1051 7.966,1052 5.435,1053 4.844,1054 4.934,1055 0.325,1056 8.972,1057 4.812,1058 7.64,1059 1.092,1060 9.837,1061 3.931,1062 6.624,1063 6.821,1064 0.662,1065 12.167,1066 6.587,1067 9.068,1068 0.806,1069 11.785,1070 2.789,1071 7.545,1072 7.692,1073 0.268,1074 14.645,1075 7.51,1076 10.533,1077 0.674,1078 13.783,1079 1.935,1080 8.97,1081 9.204,1082 0.39,1083 17.549,1084 8.934,1085 12.025,1086 0.198,1087 15.816,1088 1.502,1089 10.17,1090 10.358,1091 0.188,1092 20.277,1093 10.136,1094 13.536,1095 -0.01,1096 17.876,1097 0.454,1098 11.52,1099 11.763,1100 0.233,1101 23.129,1102 11.487,1103 3.982,1104 -0.197,1105 19.954,1106 -0.027,1107 12.818,1108 13.033,1109 0.125,1110 25.939,1111 12.785,1112 3.558,1113 17.604,1114 22.048,1115 -0.448,1116 14.161,1117 14.407,1118 0.14,1119 28.788,1120 14.128,1121 2.976,1122 13.916,1123 24.154,1124 4.031,1125 15.495,1126 15.729,1127 0.082,1128 31.628,1129 15.462,1130 2.612,1131 11.32,1132 26.269,1133 3.68,1134 16.845,1135 17.097,1136 0.085,1137 34.481,1138 16.81,1139 2.353,1140 8.687,1141 28.392,1142 3.267,1143 18.195,1144 18.445,1145 0.054,1146 37.334,1147 18.16,1148 2.168,1149 7.98,1150 30.521,1151 2.858,1152 19.551,1153 19.813,1154 0.052,1155 40.192,1156 19.515,1157 2.051,1158 7.017,1159 32.656,1160 2.547,1161 20.91,1162 21.174,1163 0.035,1164 43.052,1165 20.873,1166 9292,1167 11195,1168 20.285,1169 46.217,1170 52.272,1171 52.414,1172 56.756,1173 51.693,1174 51.671,1175 54.252,1176 3.76,1177 177.263,1178 50.73,1179 5.993,1180 6.01,1181 8.242,1182 5.98,1183 5.982,1184 6.69,1185 1.48,1186 27.371,1187 5.975,1188 20.677,1189 1.584,1190 1.588,1191 1.72,1192 1.566,1193 1.566,1194 1.644,1195 0.114,1196 5.372,1197 1.537,1198 4.126,1199 4.161,1200 4.045,1201 4.06,1202 6.449,1203 4.052,1204 3.94,1205 3.984,1206 3.846,1207 3.856,1208 4.634,1209 3.848,1210 3.701,1211 3.769,1212 3.582,1213 3.564,1214 4.43,1215 3.559,1216 3.537,1217 3.611,1218 3.397,1219 3.37,1220 4.342,1221 3.366,1222 3.442,1223 3.512,1224 3.271,1225 3.31,1226 4.181,1227 3.291,1228 3.343,1229 3.418,1230 3.171,1231 3.199,1232 4.051,1233 3.18,1234 3.318,1235 3.411,1236 3.115,1237 3.098,1238 3.873,1239 3.092,1240 3.209,1241 3.311,1242 2.963,1243 3.008,1244 3.848,1245 2.983,1246 0.151,1247 0.122,1248 0.264,1249 0.151,1250 0.121,1251 4.993,1252 0.122,1253 4.023,1254 0.024,1255 8.704,1256 0.533,1257 4.98,1258 0.12,1259 3.982,1260 4.031,1261 0.8,1262 17.604,1263 3.975,1264 1.983,1265 1.953,1266 2.127,1267 2.078,1268 1.551,1269 2.097,1270 1.951,1271 1.911,1272 2.116,1273 2.059,1274 1.518,1275 2.08,1276 1.754,1277 1.702,1278 1.96,1279 1.935,1280 1.324,1281 1.947,1282 1.51,1283 1.455,1284 1.772,1285 1.712,1286 1.092,1287 1.735,1288 1.482,1289 1.412,1290 1.748,1291 1.678,1292 0.967,1293 1.7,1294 1.442,1295 1.366,1296 1.723,1297 1.643,1298 0.931,1299 1.678,1300 1.349,1301 1.269,1302 1.671,1303 1.572,1304 0.857,1305 1.614,1306 1.247,1307 1.152,1308 1.607,1309 1.482,1310 0.716,1311 1.53,1312 4.205,1314 5.645,1315 2.398,1316 7.294,1317 5.13,1318 9.044,1319 7.516,1320 10.849,1322 18.762,1327 11.313,1328 7.088,1329 3.616,1332 2.379,1333 2.314,1334 0.623,1340 41.347,1341 90.377,1342 211.246,1343 337.71,1344 384.803,1345 402.803,1346 408.803,1347 69.665,1348 8.279,1349 35.5,1350 35.5,1351 24,1352 13.327,1353 1.585,1354 1.585,1355 46.813,1356 104,1357 111,1358 0.234,1359 251.92,1360 451.73,1361 606.445,1362 42068,1364 22.06,1365 0.735,1366 0.692,1367 22.06,1368 20.756,1369 13.969,1370 0.423,1371 0.376,1372 12.311,1373 13.701,1374 11.602,1375 9.701,1376 13.969,1377 12.393,1378 14.234,1379 0.264,1380 0.229,1381 14.234,1382 12.348,1383 12.789,1384 0.16,1385 0.135,1386 12.789,1387 10.766,1388 10.888,1389 0.099,1390 0.078,1391 10.888,1392 8.541,1393 8.332,1394 0.06,1395 0.044,1396 8.332,1397 6.118,1398 0.351,1399 85.694,1400 0.222,1401 27.162,1402 0.694,1403 174,1404 264.128,1405 179.24,1406 266.343,1407 376.48,1408 250,1409 221,1410 284.16,1411 226.823,1412 301.026,1413 446.47,1414 279,1415 4.398}
{0 CHEMBL1651040,1 1.357,2 13.119,3 3.668,4 13.454,5 166.165,6 6.292,7 0.13,8 4.581,9 4.709,10 3.991,11 4.1,12 5.547,13 4.044,14 5.211,15 5.401,16 4.46,17 4.6,18 6.11,19 4.525,20 5.623,21 5.81,22 4.719,23 4.959,24 6.5,25 4.857,26 5.976,27 6.218,28 4.797,29 5.14,30 6.817,31 4.992,32 6.115,33 6.391,34 4.776,35 5.152,36 6.957,37 4.99,38 6.051,39 6.328,40 4.695,41 5.101,42 6.91,43 4.931,44 5.969,45 6.24,46 4.631,47 5.035,48 6.877,49 4.867,50 5.912,51 6.191,52 4.478,53 4.936,54 6.77,55 4.748,56 0.097,57 1.26,58 22.607,59 9.685,60 20.577,61 13.313,62 0.429,63 2.189,64 42.712,65 16.945,66 56.272,67 23.876,68 0.467,69 3.207,70 64.418,71 25.646,72 81.179,73 35.843,74 0.79,75 4.181,76 91.211,77 34.032,78 125.005,79 49.067,80 1.303,81 4.418,82 105.488,83 36.412,84 188.703,85 53.061,86 1.189,87 4.169,88 98.598,89 34.745,90 181.394,91 50.529,92 1.005,93 3.852,94 90.63,95 32.703,96 183.816,97 47.109,98 0.948,99 3.59,100 85.547,101 30.321,102 155.845,103 44.156,104 135,105 73,106 0.203,107 0.527,108 0.773,109 0.845,110 0.866,111 0.876,112 3.766,113 1.018,114 -5.24,115 -5.13,116 -4.8,121 38,122 5,123 5,124 3,125 3,126 2,127 1,129 3,132 1,137 3,138 1,144 5,145 1,160 2,176 23,179 1,180 7,183 1,185 7,187 36,192 5,197 11,200 39,205 1,206 15,210 1,211 9,214 34,219 12,223 2,224 8,227 30,231 1,232 11,235 1,237 8,239 31,244 8,247 1,249 9,251 28,256 7,259 1,261 12,264 18,269 7,272 1,274 8,277 14,281 3162,282 27.074,283 27.074,284 27.074,285 27.074,286 27.074,287 25.634,288 30.364,289 14.922,290 27.356,291 22.468,292 22.468,293 22.468,294 22.468,295 22.468,296 20.293,297 40.389,298 6.832,299 22.919,300 5.167,301 3,302 1.355,303 0.873,304 0.731,305 0.666,306 4.455,312 1,313 1176,314 5.523,317 76.864,318 293.064,319 85.489,321 128.571,323 289.764,325 2.178,326 55.1,329 0.75,330 0.83,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.88,337 90,338 551,339 4.997,340 4.049,341 8.705,342 4.984,343 3.986,344 4.027,345 2.443,346 17.619,347 3.977,348 4.763,349 3.934,350 8.062,351 4.726,352 3.741,353 3.813,354 1.081,355 15.423,356 3.683,357 4.19,358 3.643,359 7.162,360 4.089,361 3.114,362 3.663,363 0.8,364 11.982,365 3.034,366 4.102,367 3.582,368 7.016,369 3.914,370 2.94,371 3.238,372 0.765,373 11.311,374 2.864,375 3.959,376 3.324,377 6.218,378 3.776,379 2.769,380 2.997,381 0.68,382 8.611,383 2.779,384 3.627,385 3.13,386 6.038,387 3.455,388 2.485,389 2.758,390 0.473,391 8.512,392 2.404,393 3.587,394 2.794,395 5.695,396 3.34,397 2.399,398 2.68,399 0.286,400 7.378,401 2.25,402 3.336,403 2.457,404 5.522,405 3.141,406 2.151,407 2.56,409 6.659,410 2.115,411 3.31,412 2.369,413 5.423,414 2.991,415 2.012,416 2.339,418 6.072,419 1.968,420 3.091,421 2.269,422 4.706,423 2.839,424 1.845,425 2.151,427 4.706,428 1.811,429 3.024,430 2.157,431 4.583,432 2.715,433 1.706,434 2.026,436 4.292,437 1.717,438 2.585,439 1.63,440 4.365,441 2.464,442 1.475,443 1.571,445 3.77,446 1.456,447 2.532,448 1.442,449 4.152,450 2.095,451 1.12,452 1.5,454 2.973,455 1.087,456 2.5,457 1.324,458 3.926,459 2.04,460 1.044,461 1.484,463 2.51,464 1.033,465 2.15,466 1.14,467 3.622,468 2,469 1,470 1.128,472 2.136,473 1,474 19.967,475 0.475,476 1.646,477 0.039,478 36.75,479 0.875,480 11,481 0.262,482 25.75,483 0.613,484 71.289,485 1.697,486 49.033,487 0.533,488 32.274,489 0.768,490 6.097,491 0.145,492 13.601,493 0.324,494 0.242,495 0.1,496 0.27,501 0.81,502 1.32,503 0.972,504 1.212,505 0.77,506 1.126,507 0.73,508 1.015,509 0.866,510 0.973,511 0.567,512 0.935,513 0.991,514 1.246,515 1.118,516 1.219,517 0.833,518 1.19,519 0.836,520 1.208,521 1.071,522 1.207,523 0.787,524 1.174,525 1.081,526 0.934,527 0.984,528 0.934,529 0.914,530 0.945,531 1.004,532 0.94,533 0.992,534 0.956,535 0.95,536 0.97,537 0.991,538 0.985,539 0.999,540 1.008,541 1.103,542 1.007,543 0.964,544 1.054,545 1.034,546 1.063,547 1.106,548 1.061,549 13,550 0.468,551 9.111,552 6.549,553 4.704,554 3.227,555 1.902,556 1.347,557 0.814,558 0.703,559 25083,560 54616,561 1.981,562 54.3,563 16,564 19,567 3,568 3,569 8,570 1,572 1.816,573 1.775,574 3.619,575 0.654,582 124.84,583 1.357,584 3.524,585 5.168,586 5.651,587 5.792,588 5.857,589 3.147,590 5.107,591 5.358,592 3.825,593 3293.57,594 9.507,595 54163.6,600 600.168,601 1.866,602 5.259,603 0.283,604 0.009,605 0.125,606 0.072,607 0.052,608 0.037,609 0.023,610 0.018,611 0.013,612 0.014,613 0.645,614 0.17,615 0.75,616 1.116,617 234.364,618 -0.039,619 -0.018,620 0.041,621 0.035,622 -0.084,623 0.046,624 0.088,625 0.178,626 0.137,627 0.161,628 0.086,629 0.159,630 -0.092,631 -0.086,632 -0.113,633 -0.083,634 -0.048,635 -0.099,636 0.002,637 -0.153,638 -0.092,639 -0.164,640 -0.007,641 -0.144,642 -0.028,643 0.027,644 0.009,645 0.028,646 -0.003,647 0.025,648 -0.019,649 0.024,650 -0.008,651 0.016,652 0.007,653 0.007,654 -0.021,655 -0.02,656 -0.018,657 -0.019,658 -0.013,659 -0.018,660 -0.015,661 -0.102,662 -0.059,663 -0.089,664 -0.058,665 -0.082,666 2.375,667 6.291,668 0.571,669 51.374,670 0.99,671 1.131,672 4.007,673 16.055,674 0.626,675 3.85,676 4.304,677 4.663,678 4.99,679 5.273,680 5.493,681 5.72,682 5.903,683 6.1,684 6.324,685 7.633,686 0.579,687 578.87,688 3.85,689 5.476,690 6.389,691 7.347,692 8.288,693 9.255,694 10.21,695 11.183,696 12.146,697 13.122,698 2.2,701 1,705 1,715 5,720 1,722 6,729 1,741 92,743 10,744 1,745 46,747 96,748 35,749 6,750 1,751 5,752 1,756 5,757 11,763 6,764 3,766 3,767 7,768 4,770 8,772 12,773 23,774 4,777 4,782 2,784 3,786 3,793 50,794 7,795 3,796 7,802 2,808 0.4,809 5,810 1,812 1,828 1,829 3,830 1,832 1,834 2,846 1,849 3,850 1,855 1,857 2,859 2,864 7,868 42,875 2,876 6,877 1,878 1,880 6,881 1,882 4,893 5.4,894 2,896 2,898 1,901 23.667,902 18.017,903 8.91,904 5.665,907 1.583,908 1.172,909 0.876,910 8.263,911 10.76,912 3.989,913 4.516,914 4.954,915 5.383,916 5.785,917 5.98,918 6.28,919 6.498,920 6.791,921 7.092,922 0.889,923 91,924 15.887,926 7.195,927 0.026,929 7.706,931 30.824,933 27.619,936 2.206,937 92.667,941 553.242,942 167.669,943 21.135,945 146.656,948 167.669,949 699.898,950 21.135,951 60.919,952 30.683,953 161.177,954 62.186,955 20.495,957 553.242,959 553.242,960 188.804,961 146.656,964 447.302,965 167.23,966 85.367,968 77.934,969 82.441,970 28.429,972 553.242,973 167.791,974 167.669,977 553.242,978 30.94,979 139.853,980 18.011,981 146.656,982 553.242,983 167.791,984 167.669,986 0.611,987 0.375,988 0.2,989 0.112,990 38,991 19,992 0.073,993 7,994 3,995 1.25,996 4.512,997 481.206,998 0.25,999 24,1000 218.477,1005 31.287,1006 11.092,1007 4.993,1009 167.791,1010 9.115,1015 0.571,1017 103.377,1018 888.702,1019 53,1024 25.397,1026 6.146,1028 0.854,1031 91.047,1032 104.008,1034 0.208,1035 0.54,1036 0.792,1037 0.866,1038 0.888,1039 0.898,1040 5.359,1041 2.151,1042 6.5,1043 7.378,1044 4.99,1045 5.204,1046 2.826,1047 7.54,1048 4.955,1049 6.603,1050 2.012,1051 8.226,1052 6.659,1053 5.094,1054 5.239,1055 2.283,1056 9.218,1057 5.047,1058 7.98,1059 1.845,1060 10.08,1061 6.072,1062 6.895,1063 7.241,1064 3.932,1065 12.4,1066 6.835,1067 9.391,1068 1.706,1069 12.015,1070 4.706,1071 7.784,1072 8.006,1073 4.273,1074 14.87,1075 7.72,1076 10.84,1077 1.475,1078 14.004,1079 4.292,1080 9.213,1081 9.603,1082 5.503,1083 17.763,1084 9.141,1085 12.316,1086 1.12,1087 16.029,1088 3.77,1089 10.394,1090 10.67,1091 6.159,1092 20.479,1093 10.32,1094 13.813,1095 1.044,1096 18.081,1097 2.973,1098 11.741,1099 12.132,1100 7.211,1101 23.32,1102 11.663,1103 3.986,1104 1,1105 20.153,1106 2.51,1107 13.029,1108 13.339,1109 7.992,1110 26.118,1111 12.948,1112 3.741,1113 17.619,1114 22.239,1115 2.136,1116 14.368,1117 14.748,1118 8.964,1119 28.955,1120 14.285,1121 3.114,1122 15.423,1123 24.338,1124 4.027,1125 15.697,1126 16.025,1127 9.802,1128 31.783,1129 15.611,1130 2.94,1131 11.982,1132 26.446,1133 3.813,1134 17.043,1135 17.411,1136 10.734,1137 34.626,1138 16.955,1139 2.769,1140 11.311,1141 28.562,1142 3.663,1143 18.389,1144 18.727,1145 11.599,1146 37.468,1147 18.299,1148 2.485,1149 8.611,1150 30.685,1151 3.238,1152 19.742,1153 20.103,1154 12.512,1155 40.316,1156 19.65,1157 2.399,1158 8.512,1159 32.812,1160 2.997,1161 21.098,1162 21.441,1163 13.391,1164 43.166,1165 21.004,1166 24246,1167 35870,1168 28.72,1169 57.557,1170 72.72,1171 74.487,1172 77.207,1173 71.357,1174 71.368,1175 80.03,1176 13.055,1177 237.044,1178 69.993,1179 5.997,1180 6.049,1181 8.507,1182 6.006,1183 5.986,1184 7.027,1185 4.174,1186 27.401,1187 5.977,1188 28.812,1189 1.581,1190 1.619,1191 1.678,1192 1.551,1193 1.551,1194 1.74,1195 0.284,1196 5.153,1197 1.522,1198 4.136,1199 4.169,1200 4.056,1201 4.061,1202 7.434,1203 4.055,1204 3.967,1205 4,1206 3.896,1207 3.879,1208 7.428,1209 3.878,1210 3.893,1211 3.921,1212 3.822,1213 3.825,1214 6.458,1215 3.82,1216 3.703,1217 3.765,1218 3.594,1219 3.566,1220 6.445,1221 3.564,1222 3.57,1223 3.62,1224 3.457,1225 3.369,1226 4.734,1227 3.371,1228 3.49,1229 3.532,1230 3.375,1231 3.309,1232 4.615,1233 3.296,1234 3.44,1235 3.499,1236 3.299,1237 3.271,1238 4.448,1239 3.292,1240 3.337,1241 3.4,1242 3.213,1243 3.183,1244 4.332,1245 3.173,1246 0.109,1247 0.088,1248 0.189,1249 0.108,1250 0.087,1251 4.997,1252 0.088,1253 4.049,1254 0.053,1255 8.705,1256 0.383,1257 4.984,1258 0.086,1259 3.986,1260 4.027,1261 2.443,1262 17.619,1263 3.977,1264 1.981,1265 1.951,1266 2.122,1267 2.085,1268 1.556,1269 2.092,1270 1.96,1271 1.928,1272 2.1,1273 2.065,1274 1.502,1275 2.084,1276 1.89,1277 1.864,1278 2.012,1279 1.977,1280 1.336,1281 1.989,1282 1.76,1283 1.711,1284 1.962,1285 1.943,1286 1.08,1287 1.952,1288 1.515,1289 1.467,1290 1.765,1291 1.758,1292 1.05,1293 1.754,1294 1.474,1295 1.405,1296 1.74,1297 1.666,1298 1.013,1299 1.687,1300 1.454,1301 1.402,1302 1.709,1303 1.655,1304 0.933,1305 1.679,1306 1.361,1307 1.297,1308 1.667,1309 1.59,1310 0.722,1311 1.617,1312 4.533,1314 5.953,1315 2.398,1316 7.58,1317 5.13,1318 9.311,1319 7.535,1320 11.102,1322 14.704,1327 23.143,1328 3.595,1329 3.149,1330 6.058,1332 -0.213,1333 2.239,1334 -2.091,1340 53.26,1341 124.84,1342 324.163,1343 475.499,1344 519.864,1345 532.883,1346 538.883,1347 138.763,1348 9.177,1349 99.1,1350 99.1,1351 30,1352 13.597,1353 3.459,1354 3,1355 68.648,1356 196,1357 222,1358 0.179,1359 322.613,1360 588.83,1361 778.937,1362 129968,1364 30.665,1365 0.73,1366 0.628,1367 30.665,1368 26.392,1369 19.698,1370 0.428,1371 0.339,1372 15.46,1373 19.108,1374 14.763,1375 12.231,1376 19.698,1377 15.611,1378 19.657,1379 0.269,1380 0.2,1381 19.657,1382 14.591,1383 17.05,1384 0.162,1385 0.117,1386 17.05,1387 12.305,1388 14.321,1389 0.098,1390 0.066,1391 14.321,1392 9.609,1393 11.724,1394 0.06,1395 0.037,1396 11.724,1397 7.232,1398 0.275,1399 122.519,1400 0.187,1401 36.359,1402 0.51,1403 238,1404 541.484,1405 254.756,1406 520.299,1407 702.8,1408 484,1409 297,1410 505.914,1411 312.792,1412 518.515,1413 766.26,1414 484,1415 4.52}
{0 CHEMBL1651041,1 1.367,2 13.024,3 3.203,4 10.26,5 164.226,6 6.409,7 0.128,8 4.572,9 4.696,10 4.012,11 4.098,12 5.518,13 4.048,14 5.218,15 5.4,16 4.5,17 4.608,18 6.111,19 4.544,20 5.622,21 5.801,22 4.733,23 4.958,24 6.492,25 4.862,26 5.964,27 6.204,28 4.826,29 5.126,30 6.795,31 4.988,32 6.069,33 6.339,34 4.766,35 5.121,36 6.873,37 4.969,38 6.006,39 6.274,40 4.727,41 5.082,42 6.84,43 4.928,44 5.955,45 6.215,46 4.641,47 5.033,48 6.854,49 4.87,50 5.903,51 6.188,52 4.449,53 4.904,54 6.713,55 4.713,56 0.078,57 1.244,58 21.98,59 9.526,60 18.389,61 12.971,62 0.443,63 2.189,64 42.76,65 16.847,66 53.39,67 23.456,68 0.501,69 3.19,70 64.072,71 25.394,72 79.627,73 35.067,74 0.886,75 4.14,76 90.471,77 33.58,78 117.831,79 48.068,80 1.183,81 4.281,82 101.447,83 35.295,84 154.686,85 50.798,86 1.149,87 4.068,88 95.048,89 33.669,90 149.599,91 48.414,92 1.136,93 3.849,94 90.223,95 32.553,96 172.637,97 46.4,98 1.014,99 3.554,100 85.425,101 30.107,102 145.513,103 43.782,104 109,105 76,106 0.205,107 0.532,108 0.778,109 0.843,110 0.864,111 0.874,112 3.766,113 0.999,114 -5.24,115 -5.13,116 -4.8,121 38.9,122 5,123 4,124 3,125 3,126 2,127 1,129 4,132 1,137 3,138 1,144 5,145 1,160 2,176 21,179 1,180 10,183 1,185 6,187 34,192 7,197 8,200 34,205 1,206 20,209 2,211 6,214 29,219 16,223 1,224 5,227 27,231 2,232 13,237 5,239 30,243 1,244 9,247 1,249 5,251 25,255 1,256 9,259 1,261 6,264 15,268 1,269 9,272 1,274 5,277 13,281 3156,282 27.152,283 27.152,284 27.152,285 27.152,286 27.152,287 25.712,288 34.677,289 14.969,290 27.525,291 23.089,292 23.089,293 23.089,294 23.089,295 23.089,296 20.913,297 48.38,298 6.996,299 23.674,300 5.125,301 2.939,302 1.302,303 0.87,304 0.725,305 0.659,306 4.466,312 1,313 1189,314 5.477,317 127.095,318 263.82,319 76.949,321 228.994,322 113.581,323 259.051,324 146.789,325 2.264,326 52.907,329 0.75,330 0.67,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.85,337 90,338 547,339 4.999,340 4.064,341 8.706,342 4.986,343 3.989,344 4.031,345 2.443,346 17.622,347 3.978,348 4.811,349 3.974,350 8.141,351 4.775,352 3.793,353 3.852,354 1.081,355 15.857,356 3.722,357 4.19,358 3.643,359 7.173,360 4.09,361 3.114,362 3.666,363 0.86,364 12.035,365 3.036,366 4.103,367 3.582,368 7.019,369 3.916,370 2.943,371 3.239,372 0.8,373 11.328,374 2.865,375 3.965,376 3.345,377 6.223,378 3.78,379 2.775,380 3.003,381 0.765,382 8.633,383 2.782,384 3.629,385 3.142,386 6.049,387 3.473,388 2.509,389 2.758,390 0.68,391 8.553,392 2.415,393 3.587,394 2.816,395 5.833,396 3.34,397 2.4,398 2.681,399 0.473,400 7.679,401 2.254,402 3.471,403 2.709,404 5.686,405 3.279,406 2.322,407 2.602,408 0.286,409 7.377,410 2.211,411 3.311,412 2.455,413 5.518,414 3.129,415 2.142,416 2.426,418 6.636,419 2.099,420 3.222,421 2.356,422 5.017,423 2.853,424 1.867,425 2.292,427 5.386,428 1.836,429 3.025,430 2.187,431 4.669,432 2.839,433 1.844,434 2.027,436 4.706,437 1.81,438 2.874,439 2.001,440 4.393,441 2.588,442 1.592,443 1.871,445 3.853,446 1.579,447 2.572,448 1.509,449 4.389,450 2.122,451 1.158,452 1.516,454 3.198,455 1.112,456 2.5,457 1.431,458 4.169,459 2.059,460 1.059,461 1.5,463 2.671,464 1.053,465 2.225,466 1.324,467 3.929,468 2,469 1,470 1.193,472 2.46,473 1,474 19.967,475 0.475,476 1.698,477 0.04,478 37.5,479 0.893,480 11,481 0.262,482 26.5,483 0.631,484 70.214,485 1.672,486 48.433,487 0.538,488 32.226,489 0.767,490 6.225,491 0.148,492 13.508,493 0.322,494 0.225,495 0.1,496 0.295,501 0.777,502 1.322,503 0.929,504 1.211,505 0.717,506 1.105,507 0.834,508 0.994,509 0.855,510 0.95,511 0.547,512 0.904,513 1.102,514 1.243,515 1.152,516 1.218,517 0.916,518 1.196,519 0.841,520 1.179,521 1.036,522 1.176,523 0.724,524 1.137,525 1.156,526 0.933,527 0.998,528 0.933,529 0.96,530 0.943,531 1.043,532 0.94,533 0.989,534 0.954,535 0.958,536 0.962,537 1.049,538 1.011,539 1.058,540 1.039,541 1.146,542 1.051,543 0.932,544 1.005,545 0.994,546 1.014,547 1.086,548 1.016,549 13,550 0.465,551 8.889,552 6.771,553 4.834,554 3.095,555 1.971,556 1.313,557 0.82,558 0.712,559 25720,560 54829,561 2.034,562 53.3,563 12,564 20,567 2,568 3,569 9,570 2,572 1.816,573 1.826,574 3.595,575 0.054,582 123.054,583 1.367,584 3.553,585 5.19,586 5.622,587 5.766,588 5.833,589 3.147,590 5.011,591 5.357,592 3.81,593 3280.6,594 9.504,595 53319.4,600 584.267,601 1.863,602 5.267,603 0.277,604 0.009,605 0.117,606 0.074,607 0.051,608 0.035,609 0.023,610 0.017,611 0.014,612 0.013,613 0.631,614 0.17,615 0.75,616 1.04,617 233.671,618 -0.016,619 -0.043,620 0.063,621 0.011,622 -0.073,623 0.042,624 0.077,625 0.18,626 0.148,627 0.164,628 0.105,629 0.168,630 -0.119,631 -0.101,632 -0.149,633 -0.102,634 -0.073,635 -0.126,636 0.046,637 -0.139,638 -0.055,639 -0.148,640 0.028,641 -0.12,642 -0.071,643 0.026,644 0.001,645 0.032,646 -0.04,647 0.027,648 -0.021,649 0.031,650 0.002,651 0.023,652 -0.008,653 0.017,654 -0.014,655 -0.043,656 -0.067,657 -0.049,658 -0.02,659 -0.063,660 0.014,661 -0.073,662 -0.019,663 -0.056,664 -0.052,665 -0.045,666 2.307,667 6.401,668 0.619,669 52.122,670 0.991,671 1.129,672 4.007,673 16.055,674 0.631,675 3.871,676 4.344,677 4.718,678 5.094,679 5.398,680 5.645,681 5.911,682 6.153,683 6.387,684 6.631,685 7.535,686 0.586,687 576.85,688 3.871,689 5.509,690 6.431,691 7.402,692 8.353,693 9.333,694 10.298,695 11.283,696 12.256,697 13.244,698 2.2,701 1,705 1,715 5,720 1,722 6,729 1,741 90,743 10,744 1,745 47,747 95,748 35,749 6,750 1,751 5,752 1,756 6,757 19,763 5,764 3,766 3,767 7,768 4,770 8,772 12,773 23,774 4,777 4,782 2,784 3,786 3,793 48,794 7,795 2,796 7,802 2,808 0.333,809 5,812 1,815 1,828 2,829 3,830 1,832 2,833 1,834 2,835 1,846 1,849 3,850 1,855 1,857 1,858 1,859 2,864 7,868 42,875 1,876 5,877 1,878 2,880 7,881 1,882 4,893 5.6,894 1,896 2,897 1,898 1,901 23,902 17.817,903 8.688,904 5.565,907 1.574,908 1.162,909 0.898,910 7.27,911 11.286,912 4.007,913 4.549,914 4.996,915 5.454,916 5.868,917 6.092,918 6.421,919 6.693,920 7.005,921 7.322,922 0.889,923 92,924 15.88,926 7.284,927 0.026,929 7.643,931 31,933 28.269,936 2.143,937 90,941 541.471,942 169.726,943 21.135,945 114.973,948 169.726,949 656.444,950 21.135,951 60.919,952 32.741,953 118.493,954 73.186,955 20.495,957 541.471,959 541.471,960 190.861,961 114.973,964 411.989,965 190.772,966 53.683,968 79.992,969 82.441,970 28.429,972 541.471,973 136.108,974 169.726,977 541.471,978 32.998,979 139.853,980 18.011,981 114.973,982 541.471,983 136.108,984 169.726,986 0.617,987 0.373,988 0.204,989 0.117,990 42,991 20,992 0.063,993 6,994 5,995 1.346,996 4.553,997 497.974,998 0.385,999 25,1000 218.477,1005 29.908,1006 10.209,1007 4.458,1009 136.108,1010 9.291,1015 0.625,1017 60.694,1018 847.305,1019 54,1024 25.49,1026 6.342,1028 0.964,1031 89.163,1032 101.593,1034 0.211,1035 0.547,1036 0.799,1037 0.866,1038 0.888,1039 0.899,1040 5.391,1041 2.322,1042 6.544,1043 7.679,1044 5.03,1045 5.236,1046 2.91,1047 7.591,1048 4.986,1049 6.636,1050 2.142,1051 8.27,1052 7.377,1053 5.13,1054 5.27,1055 2.283,1056 9.253,1057 5.078,1058 8.014,1059 1.867,1060 10.122,1061 6.636,1062 6.936,1063 7.27,1064 3.953,1065 12.451,1066 6.865,1067 9.425,1068 1.844,1069 12.055,1070 5.386,1071 7.82,1072 8.035,1073 4.273,1074 14.918,1075 7.748,1076 10.875,1077 1.592,1078 14.041,1079 4.706,1080 9.254,1081 9.632,1082 5.506,1083 17.817,1084 9.17,1085 12.351,1086 1.158,1087 16.065,1088 3.853,1089 10.435,1090 10.702,1091 6.159,1092 20.537,1093 10.349,1094 13.85,1095 1.059,1096 18.116,1097 3.198,1098 11.787,1099 12.163,1100 7.212,1101 23.382,1102 11.695,1103 3.989,1104 1,1105 20.187,1106 2.671,1107 13.076,1108 13.374,1109 7.992,1110 26.182,1111 12.982,1112 3.793,1113 17.622,1114 22.274,1115 2.46,1116 14.42,1117 14.784,1118 8.964,1119 29.02,1120 14.321,1121 3.114,1122 15.857,1123 24.373,1124 4.031,1125 15.751,1126 16.066,1127 9.802,1128 31.849,1129 15.649,1130 2.943,1131 12.035,1132 26.482,1133 3.852,1134 17.101,1135 17.453,1136 10.734,1137 34.691,1138 16.994,1139 2.775,1140 11.328,1141 28.599,1142 3.666,1143 18.45,1144 18.773,1145 11.599,1146 37.533,1147 18.34,1148 2.509,1149 8.633,1150 30.721,1151 3.239,1152 19.806,1153 20.152,1154 12.512,1155 40.38,1156 19.693,1157 2.4,1158 8.553,1159 32.849,1160 3.003,1161 21.165,1162 21.493,1163 13.391,1164 43.228,1165 21.048,1166 24382,1167 35689,1168 29.819,1169 56.796,1170 75.496,1171 77.092,1172 78.954,1173 74.057,1174 74.035,1175 82.698,1176 14.775,1177 248.669,1178 72.238,1179 5.999,1180 6.064,1181 8.508,1182 6.06,1183 5.989,1184 7.031,1185 4.174,1186 27.411,1187 5.978,1188 27.409,1189 1.606,1190 1.64,1191 1.68,1192 1.576,1193 1.575,1194 1.76,1195 0.314,1196 5.291,1197 1.537,1198 4.148,1199 4.178,1200 4.072,1201 4.068,1202 7.434,1203 4.065,1204 3.982,1205 4.014,1206 3.91,1207 3.89,1208 7.428,1209 3.89,1210 3.9,1211 3.927,1212 3.835,1213 3.832,1214 6.447,1215 3.828,1216 3.697,1217 3.76,1218 3.588,1219 3.56,1220 4.745,1221 3.558,1222 3.568,1223 3.613,1224 3.457,1225 3.376,1226 4.685,1227 3.376,1228 3.5,1229 3.542,1230 3.389,1231 3.329,1232 4.571,1233 3.335,1234 3.476,1235 3.52,1236 3.365,1237 3.265,1238 4.339,1239 3.285,1240 3.313,1241 3.383,1242 3.214,1243 3.171,1244 4.314,1245 3.156,1246 0.106,1247 0.086,1248 0.185,1249 0.106,1250 0.085,1251 4.999,1252 0.086,1253 4.064,1254 0.052,1255 8.706,1256 0.375,1257 4.986,1258 0.085,1259 3.989,1260 4.031,1261 2.443,1262 17.622,1263 3.978,1264 1.981,1265 1.951,1266 2.121,1267 2.076,1268 1.553,1269 2.091,1270 1.935,1271 1.906,1272 2.064,1273 2.045,1274 1.476,1275 2.053,1276 1.881,1277 1.854,1278 2.007,1279 1.968,1280 1.336,1281 1.982,1282 1.759,1283 1.711,1284 1.961,1285 1.943,1286 1.081,1287 1.951,1288 1.523,1289 1.474,1290 1.767,1291 1.758,1292 1.047,1293 1.755,1294 1.483,1295 1.441,1296 1.722,1297 1.721,1298 1.024,1299 1.719,1300 1.456,1301 1.39,1302 1.715,1303 1.634,1304 0.936,1305 1.663,1306 1.365,1307 1.305,1308 1.667,1309 1.593,1310 0.724,1311 1.62,1312 4.554,1314 5.989,1315 3.045,1316 7.623,1317 5.687,1318 9.36,1319 8.032,1320 11.159,1322 14.95,1327 12.401,1328 3.533,1329 3.255,1330 12.731,1332 -0.101,1333 2.252,1334 -1.733,1340 52.733,1341 123.054,1342 319.726,1343 467.108,1344 505.963,1345 518.983,1346 524.983,1347 120.019,1348 9.712,1349 88.1,1350 88.1,1351 35,1352 13.712,1353 3.459,1354 3,1355 61.427,1356 192,1357 226,1358 0.163,1359 315.22,1360 576.47,1361 760.897,1362 242402,1364 30.242,1365 0.72,1366 0.624,1367 30.242,1368 26.223,1369 19.732,1370 0.42,1371 0.333,1372 15.487,1373 19.099,1374 14.804,1375 12.212,1376 19.732,1377 15.652,1378 20.186,1379 0.266,1380 0.196,1381 20.186,1382 14.866,1383 17.428,1384 0.157,1385 0.113,1386 17.428,1387 12.518,1388 15.305,1389 0.094,1390 0.062,1391 15.305,1392 10.091,1393 12.823,1394 0.058,1395 0.035,1396 12.823,1397 7.754,1398 0.25,1399 122.927,1400 0.183,1401 36.266,1402 0.469,1403 246,1404 561.07,1405 264.86,1406 535.355,1407 730.48,1408 500,1409 310,1410 533.945,1411 328.45,1412 544.536,1413 810.46,1414 509,1415 4.854}
{0 CHEMBL1651042,1 1.397,2 12.698,3 2.481,4 6.153,5 162.322,6 6.515,7 0.122,8 4.599,9 4.718,10 4.059,11 4.113,12 5.535,13 4.073,14 5.245,15 5.424,16 4.532,17 4.62,18 6.119,19 4.563,20 5.652,21 5.827,22 4.786,23 4.968,24 6.509,25 4.883,26 5.972,27 6.207,28 4.86,29 5.127,30 6.779,31 4.998,32 6.101,33 6.36,34 4.86,35 5.144,36 6.948,37 5.011,38 6.046,39 6.304,40 4.822,41 5.109,42 6.903,43 4.974,44 5.992,45 6.245,46 4.764,47 5.059,48 6.876,49 4.92,50 5.923,51 6.183,52 4.613,53 4.957,54 6.772,55 4.804,56 0.062,57 1.27,58 22.302,59 9.687,60 18.482,61 13.031,62 0.464,63 2.226,64 43.777,65 17.089,66 55.43,67 23.593,68 0.685,69 3.241,70 66.07,71 25.629,72 85.714,73 35.196,74 0.883,75 4.133,76 91.329,77 33.429,78 112.47,79 47.778,80 1.547,81 4.339,82 106.267,83 35.621,84 177.961,85 50.995,86 1.289,87 4.155,88 99.845,89 34.449,90 170.357,91 49.278,92 1.389,93 3.92,94 94.728,95 33.053,96 176.445,97 46.95,98 1.12,99 3.647,100 88.373,101 30.171,102 143.27,103 43.413,104 109,105 81,106 0.209,107 0.522,108 0.775,109 0.845,110 0.866,111 0.876,112 3.789,113 0.987,114 -4.57,115 -4.49,116 -4.23,121 38.5,122 5,123 4,124 3,125 3,126 2,127 1,129 6,132 1,137 1,138 1,144 5,145 1,160 2,176 20,179 1,180 10,183 1,185 4,187 31,191 1,192 9,195 1,197 6,200 29,205 1,206 18,209 2,211 7,214 23,218 2,219 17,222 1,224 6,227 19,231 2,232 18,237 3,239 20,243 2,244 17,247 2,249 4,251 18,255 1,256 15,259 1,261 5,264 14,268 2,269 11,272 1,274 4,277 12,281 3387,282 28.022,283 28.022,284 28.022,285 28.022,286 28.022,287 26.712,288 36.165,289 15.33,290 28.471,291 24.086,292 24.086,293 24.086,294 24.086,295 24.086,296 22.162,297 52.394,298 7.17,299 24.829,300 5.111,301 3.019,302 1.323,303 0.86,304 0.717,305 0.651,306 4.493,312 1,313 1208,314 5.568,315 33.763,317 135.994,318 253.9,319 243.904,320 93.258,321 115.773,323 256.006,324 278.757,325 2.016,326 59.345,329 0.75,330 0.67,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.85,337 93,338 546,339 5.017,340 4.212,341 8.705,342 4.994,343 4.007,344 4.047,345 2.443,346 17.612,347 3.979,348 4.954,349 4.02,350 8.407,351 4.928,352 3.953,353 3.958,354 1.058,355 17.142,356 3.831,357 4.308,358 3.653,359 7.582,360 4.252,361 3.288,362 3.673,363 0.86,364 13.519,365 3.161,366 4.122,367 3.606,368 7.023,369 3.949,370 2.971,371 3.313,372 0.86,373 11.336,374 2.906,375 4.021,376 3.407,377 6.545,378 3.795,379 2.797,380 3.105,381 0.8,382 9.871,383 2.794,384 3.738,385 3.179,386 6.198,387 3.624,388 2.669,389 2.827,390 0.68,391 8.549,392 2.532,393 3.633,394 2.901,395 6.015,396 3.428,397 2.462,398 2.721,399 0.286,400 8.382,401 2.372,402 3.464,403 2.767,404 5.674,405 3.252,406 2.293,407 2.587,409 7.254,410 2.203,411 3.332,412 2.441,413 5.599,414 3.175,415 2.192,416 2.449,418 7.11,419 2.13,420 3.253,421 2.395,422 5.367,423 3.01,424 2.066,425 2.345,427 6.059,428 1.939,429 3.096,430 2.298,431 4.846,432 2.827,433 1.826,434 2.096,436 4.738,437 1.815,438 2.955,439 2.187,440 4.688,441 2.793,442 1.802,443 1.954,445 4.623,446 1.773,447 2.61,448 1.779,449 4.515,450 2.25,451 1.307,452 1.614,454 3.442,455 1.227,456 2.5,457 1.439,458 4.23,459 2.122,460 1.16,461 1.5,463 3.234,464 1.111,465 2.214,466 1.324,467 4.17,468 2,469 1,470 1.19,472 2.565,473 1,474 20.3,475 0.472,476 1.751,477 0.041,478 38,479 0.884,480 10,481 0.233,482 28,483 0.651,484 73.304,485 1.705,486 49.9,487 0.548,488 32.32,489 0.752,490 6.171,491 0.144,492 14.095,493 0.328,494 0.222,495 0.099,496 0.34,501 0.785,502 1.342,503 0.898,504 1.229,505 0.714,506 1.099,507 0.861,508 0.999,509 0.858,510 0.955,511 0.58,512 0.906,513 1.048,514 1.23,515 1.126,516 1.206,517 0.862,518 1.183,519 0.813,520 1.192,521 1.016,522 1.188,523 0.696,524 1.14,525 1.164,526 0.92,527 1,528 0.924,529 1.043,530 0.935,531 1.041,532 0.957,533 0.967,534 0.967,535 1.078,536 0.957,537 1.028,538 0.976,539 0.989,540 0.991,541 1.015,542 0.989,543 1.067,544 1.052,545 1.053,546 1.059,547 1.088,548 1.056,549 13,550 0.519,551 9.278,552 7.312,553 4.652,554 3.213,555 2.482,556 1.595,557 1.024,558 0.677,559 26987,560 56841,561 2.072,562 52.7,563 12,564 20,567 2,568 3,569 9,570 2,572 1.825,573 1.856,574 3.549,575 0.068,582 127.096,583 1.397,584 3.489,585 5.185,586 5.647,587 5.79,588 5.856,589 3.115,590 5.037,591 5.392,592 3.739,593 3376.18,594 9.592,595 54807.1,600 592.209,601 1.865,602 5.303,603 0.265,604 0.01,605 0.119,606 0.076,607 0.048,608 0.033,609 0.027,610 0.018,611 0.014,612 0.011,613 0.623,614 0.17,615 0.75,616 1.027,617 239.045,618 -0.019,619 -0.053,620 0.073,621 0.004,622 -0.069,623 0.045,624 0.042,625 0.178,626 0.131,627 0.164,628 0.076,629 0.164,630 -0.057,631 -0.085,632 -0.131,633 -0.09,634 -0.064,635 -0.119,636 0.038,637 -0.147,638 -0.045,639 -0.154,640 0.02,641 -0.118,642 -0.034,643 0.041,644 0.009,645 0.041,646 -0.029,647 0.033,648 -0.008,649 0.012,650 0.027,651 0.013,652 -0.021,653 0.025,654 0.031,655 -0.013,656 0.007,657 -0.002,658 0.013,659 -0.003,660 -0.032,661 -0.088,662 -0.06,663 -0.085,664 -0.046,665 -0.078,666 1.964,667 6.423,668 0.628,669 49.393,670 0.994,671 1.13,672 3.338,673 11.144,674 0.629,675 3.912,676 4.407,677 4.804,678 5.209,679 5.549,680 5.835,681 6.122,682 6.375,683 6.637,684 6.91,685 7.237,686 0.587,687 592.85,688 3.912,689 5.565,690 6.509,691 7.498,692 8.474,693 9.476,694 10.468,695 11.476,696 12.478,697 13.49,698 2.2,701 1,705 1,715 5,720 1,722 6,729 1,741 91,743 9,744 1,745 49,747 97,748 35,749 6,750 1,751 5,752 1,756 7,757 25,763 5,764 3,766 3,767 9,768 4,770 10,772 10,773 25,774 4,777 3,782 2,784 1,786 3,793 48,794 8,795 2,796 8,802 2,808 0.286,809 6,811 1,814 1,815 1,826 1,828 2,829 3,830 3,831 1,832 1,834 2,835 2,846 1,849 1,850 1,855 1,857 1,858 2,859 2,864 7,868 43,875 1,876 5,877 1,878 3,880 9,881 1,882 4,893 6.6,894 1,896 2,897 2,898 1,901 23.167,902 17.983,903 8.826,904 5.679,907 1.217,908 1.12,909 0.905,910 6.776,911 11.353,912 4.025,913 4.58,914 5.022,915 5.487,916 5.901,917 6.141,918 6.475,919 6.731,920 7.048,921 7.371,922 0.889,923 96,924 16.308,926 7.645,927 0.026,929 7.643,931 31.853,933 29.728,936 2.143,937 92.167,941 541.471,942 150.774,943 21.135,945 125.973,948 150.774,949 667.444,950 21.135,951 60.919,952 32.741,953 99.541,954 84.186,955 20.495,957 541.471,959 541.471,960 171.909,961 125.973,964 411.989,965 190.772,966 64.683,968 79.992,969 82.441,970 9.476,972 541.471,973 147.108,974 150.774,977 541.471,978 32.998,979 120.901,980 18.011,981 125.973,982 541.471,983 147.108,984 150.774,986 0.619,987 0.375,988 0.209,989 0.12,990 47,991 22,992 0.062,993 6,994 14,995 1.704,996 4.612,997 533.987,998 1.037,999 18,1000 225.329,1005 29.77,1006 9.787,1007 4.098,1009 147.108,1010 9.285,1015 0.612,1017 60.694,1018 839.353,1019 55,1024 26.168,1026 2.439,1028 0.953,1031 90.49,1032 102.803,1034 0.215,1035 0.536,1036 0.797,1037 0.868,1038 0.89,1039 0.9,1040 5.432,1041 2.293,1042 6.624,1043 8.382,1044 5.094,1045 5.268,1046 2.897,1047 7.698,1048 5.037,1049 6.684,1050 2.192,1051 8.364,1052 7.254,1053 5.231,1054 5.359,1055 2.283,1056 9.404,1057 5.158,1058 8.078,1059 2.066,1060 10.231,1061 7.11,1062 7.038,1063 7.315,1064 3.954,1065 12.625,1066 6.939,1067 9.503,1068 1.826,1069 12.176,1070 6.059,1071 7.955,1072 8.134,1073 4.273,1074 15.123,1075 7.843,1076 10.968,1077 1.802,1078 14.174,1079 4.738,1080 9.398,1081 9.702,1082 5.506,1083 18.041,1084 9.265,1085 12.46,1086 1.307,1087 16.208,1088 4.623,1089 10.604,1090 10.812,1091 6.159,1092 20.781,1093 10.458,1094 13.974,1095 1.16,1096 18.268,1097 3.442,1098 11.97,1099 12.26,1100 7.212,1101 23.64,1102 11.807,1103 4.007,1104 1,1105 20.348,1106 3.234,1107 13.279,1108 13.499,1109 7.992,1110 26.455,1111 13.102,1112 3.953,1113 17.612,1114 22.442,1115 2.565,1116 14.637,1117 14.905,1118 8.964,1119 29.305,1120 14.446,1121 3.288,1122 17.142,1123 24.547,1124 4.047,1125 15.986,1126 16.207,1127 9.802,1128 32.144,1129 15.78,1130 2.971,1131 13.519,1132 26.661,1133 3.958,1134 17.35,1135 17.597,1136 10.734,1137 34.995,1138 17.129,1139 2.797,1140 11.336,1141 28.782,1142 3.673,1143 18.714,1144 18.932,1145 11.599,1146 37.845,1147 18.48,1148 2.669,1149 9.871,1150 30.908,1151 3.313,1152 20.084,1153 20.316,1154 12.512,1155 40.698,1156 19.836,1157 2.462,1158 8.549,1159 33.039,1160 3.105,1161 21.456,1162 21.67,1163 13.391,1164 43.551,1165 21.194,1166 25228,1167 36773,1168 31.323,1169 57.251,1170 78.8,1171 81.126,1172 83.558,1173 77.951,1174 77.948,1175 85.593,1176 13.974,1177 267.587,1178 75.566,1179 6.017,1180 6.212,1181 8.507,1182 6.109,1183 6.007,1184 7.047,1185 4.174,1186 27.389,1187 5.979,1188 27.762,1189 1.608,1190 1.656,1191 1.705,1192 1.591,1193 1.591,1194 1.747,1195 0.285,1196 5.461,1197 1.542,1198 4.176,1199 4.2,1200 4.108,1201 4.081,1202 7.434,1203 4.082,1204 4.016,1205 4.045,1206 3.943,1207 3.914,1208 7.428,1209 3.918,1210 3.907,1211 3.932,1212 3.845,1213 3.838,1214 6.449,1215 3.835,1216 3.713,1217 3.772,1218 3.604,1219 3.574,1220 4.872,1221 3.572,1222 3.593,1223 3.636,1224 3.504,1225 3.39,1226 4.725,1227 3.396,1228 3.567,1229 3.599,1230 3.453,1231 3.365,1232 4.533,1233 3.385,1234 3.413,1235 3.457,1236 3.294,1237 3.232,1238 4.449,1239 3.237,1240 3.367,1241 3.428,1242 3.241,1243 3.194,1244 4.391,1245 3.192,1246 0.102,1247 0.086,1248 0.178,1249 0.102,1250 0.082,1251 5.017,1252 0.083,1253 4.212,1254 0.05,1255 8.705,1256 0.359,1257 4.994,1258 0.081,1259 4.007,1260 4.047,1261 2.443,1262 17.612,1263 3.979,1264 1.975,1265 1.943,1266 2.118,1267 2.066,1268 1.554,1269 2.086,1270 1.913,1271 1.886,1272 2.033,1273 2.019,1274 1.499,1275 2.023,1276 1.847,1277 1.816,1278 1.993,1279 1.953,1280 1.325,1281 1.967,1282 1.753,1283 1.701,1284 1.957,1285 1.931,1286 1.08,1287 1.944,1288 1.497,1289 1.456,1290 1.754,1291 1.74,1292 1.046,1293 1.733,1294 1.486,1295 1.432,1296 1.726,1297 1.698,1298 1.011,1299 1.712,1300 1.433,1301 1.366,1302 1.697,1303 1.654,1304 0.932,1305 1.655,1306 1.387,1307 1.344,1308 1.632,1309 1.61,1310 0.898,1311 1.625,1312 4.595,1313 1.946,1314 6.047,1315 4.394,1316 7.704,1317 6.718,1318 9.47,1319 8.936,1320 11.306,1322 14.863,1327 11.63,1328 3.555,1329 3.33,1330 19.504,1332 -1.138,1333 2.233,1334 -1.268,1340 53.448,1341 127.096,1342 317.458,1343 471.806,1344 513.906,1345 526.925,1346 532.925,1347 118.864,1348 10.136,1349 100.63,1350 100.63,1351 46,1352 13.944,1353 3.322,1354 2.807,1355 57.824,1356 187,1357 224,1358 0.157,1359 314.75,1360 571.74,1361 759.751,1362 391383,1364 30.69,1365 0.714,1366 0.619,1367 30.69,1368 26.631,1369 20.265,1370 0.414,1371 0.329,1372 15.929,1373 19.527,1374 15.28,1375 12.519,1376 20.265,1377 16.127,1378 20.827,1379 0.257,1380 0.191,1381 20.827,1382 15.502,1383 18.165,1384 0.15,1385 0.109,1386 18.165,1387 13.201,1388 16.344,1389 0.09,1390 0.06,1391 16.344,1392 10.879,1393 13.874,1394 0.054,1395 0.033,1396 13.874,1397 8.493,1398 0.237,1399 126.962,1400 0.179,1401 36.627,1402 0.459,1403 260,1404 608.805,1405 283.067,1406 571.199,1407 784.04,1408 536,1409 335,1410 576.551,1411 359.872,1412 581.826,1413 879.51,1414 546,1415 5.523}
{0 CHEMBL1651043,1 1.344,2 12.795,3 2.824,4 7.976,5 155.074,6 6.292,7 0.136,8 4.517,9 4.643,10 3.94,11 4.049,12 5.446,13 3.994,14 5.162,15 5.345,16 4.436,17 4.574,18 6,19 4.504,20 5.585,21 5.77,22 4.696,23 4.932,24 6.434,25 4.831,26 5.933,27 6.179,28 4.741,29 5.078,30 6.773,31 4.928,32 6.016,33 6.295,34 4.65,35 5.041,36 6.859,37 4.876,38 5.918,39 6.199,40 4.506,41 4.949,42 6.735,43 4.77,44 5.791,45 6.079,46 4.431,47 4.843,48 6.61,49 4.664,50 5.657,51 5.929,52 4.311,53 4.722,54 6.474,55 4.547,56 0.1,57 1.184,58 21.159,59 9.038,60 18.584,61 12.445,62 0.327,63 2.108,64 40.594,65 16.187,66 37.934,67 22.716,68 0.424,69 3.112,70 61.9,71 24.831,72 66.837,73 34.653,74 0.876,75 3.99,76 87.508,77 32.404,78 113.164,79 46.676,80 1.091,81 4.014,82 95.455,83 33.171,84 154.789,85 48.028,86 1.039,87 3.644,88 86.294,89 30.428,90 144.791,91 44.05,92 0.899,93 3.223,94 75.365,95 27.717,96 140.706,97 40.03,98 0.773,99 2.875,100 66.302,101 23.924,102 101.165,103 34.645,104 84,105 72,106 0.204,107 0.533,108 0.762,109 0.831,110 0.862,111 0.876,112 3.694,113 1.007,114 -4.9,115 -4.81,116 -4.51,121 38.8,122 4,123 4,124 3,125 3,126 2,127 1,129 4,132 1,137 3,138 1,144 5,145 1,160 1,176 21,180 7,183 1,185 7,187 34,192 6,197 9,200 34,206 11,209 3,211 12,214 27,219 9,223 1,224 11,227 25,231 1,232 6,237 6,239 25,244 7,247 1,248 1,249 4,251 22,256 5,259 2,261 9,264 14,268 1,269 6,274 6,277 12,281 2483,282 25.342,283 25.342,284 25.342,285 25.342,286 25.342,287 24.109,288 30.251,289 13.786,290 25.65,291 21.552,292 21.552,293 21.552,294 21.552,295 21.552,296 19.691,297 40.72,298 6.366,299 22.048,300 5.065,301 2.902,302 1.393,303 0.936,304 0.736,305 0.642,306 4.396,312 1,313 1096,314 5.099,317 119.752,318 244.04,319 156.088,321 109.383,322 106.606,323 243.968,325 2.118,326 47.745,329 0.75,330 0.67,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.85,337 83,338 499,339 4.998,340 4.097,341 8.704,342 4.984,343 3.987,344 4.031,345 1.151,346 17.608,347 3.977,348 4.848,349 4.004,350 8.196,351 4.807,352 3.829,353 3.887,354 1.081,355 16.15,356 3.743,357 4.183,358 3.584,359 7.254,360 4.071,361 3.093,362 3.668,363 0.8,364 12.371,365 3.023,366 4.088,367 3.288,368 7.015,369 3.906,370 2.931,371 3.219,372 0.68,373 11.294,374 2.859,375 3.941,376 3.138,377 6.197,378 3.772,379 2.766,380 2.971,381 0.473,382 8.621,383 2.775,384 3.615,385 2.805,386 6.047,387 3.465,388 2.501,389 2.698,391 8.411,392 2.407,393 3.431,394 2.593,395 5.804,396 3.246,397 2.277,398 2.574,400 7.308,401 2.208,402 3.311,403 2.398,404 5.656,405 3.161,406 2.181,407 2.414,409 7.099,410 2.129,411 3.214,412 2.344,413 5.367,414 3.004,415 2.059,416 2.273,418 6.052,419 1.933,420 3.093,421 2.201,422 4.996,423 2.878,424 1.899,425 2.094,427 5.384,428 1.854,429 2.939,430 2.112,431 4.501,432 2.619,433 1.624,434 1.946,436 3.855,437 1.609,438 2.572,439 1.482,440 4.246,441 2.137,442 1.175,443 1.519,445 3.323,446 1.126,447 2.5,448 1.402,449 4.183,450 2.061,451 1.057,452 1.5,454 2.522,455 1.055,456 2.228,457 1.323,458 3.921,459 2,460 1,461 1.205,463 2.48,464 1,465 1.952,466 1,467 3.623,468 1.855,469 0.93,470 0.936,472 2.136,473 0.853,474 18.633,475 0.478,476 1.569,477 0.04,478 34,479 0.872,480 9.5,481 0.244,482 24.5,483 0.628,484 64.236,485 1.647,486 44.967,487 0.529,488 27.477,489 0.705,490 5.438,491 0.139,492 12.923,493 0.331,494 0.215,495 0.107,496 0.29,501 0.865,502 1.281,503 0.967,504 1.167,505 0.863,506 1.09,507 0.9,508 0.997,509 0.889,510 0.953,511 0.673,512 0.917,513 1.023,514 1.262,515 1.122,516 1.237,517 0.891,518 1.198,519 0.889,520 1.189,521 1.066,522 1.189,523 0.816,524 1.153,525 1.233,526 0.922,527 1.002,528 0.927,529 1.221,530 0.937,531 1.163,532 0.919,533 1.031,534 0.942,535 1.286,536 0.967,537 0.849,538 0.896,539 0.886,540 0.913,541 0.774,542 0.909,543 0.983,544 1.049,545 1.025,546 1.047,547 0.928,548 1.045,549 12,550 0.368,551 8.889,552 6.618,553 4.412,554 2.466,555 1.646,556 1.189,557 0.744,558 0.518,559 21591,560 42371,561 2.052,562 54.1,563 12,564 20,567 3,569 9,570 2,572 1.797,573 1.843,574 3.578,575 0.671,582 114.249,583 1.344,584 3.508,585 5.016,586 5.474,587 5.674,588 5.768,589 3.119,590 4.907,591 5.25,592 3.758,593 2784.36,594 9.282,595 42837,600 544.798,601 1.87,602 5.161,603 0.273,604 0.01,605 0.123,606 0.074,607 0.052,608 0.032,609 0.025,610 0.019,611 0.014,612 0.012,613 0.634,614 0.17,615 0.75,616 0.895,617 212.277,618 -0.04,619 -0.001,620 0.055,621 0.054,622 -0.108,623 0.063,625 0.19,626 0.127,627 0.171,628 0.019,629 0.168,630 -0.079,631 -0.115,632 -0.112,633 -0.114,634 -0.055,635 -0.116,636 0.056,637 -0.158,638 -0.076,639 -0.169,640 0.05,641 -0.142,642 -0.066,643 0.024,644 0.001,645 0.025,646 -0.03,647 0.021,648 -0.054,649 0.026,650 -0.036,651 0.014,652 -0.084,653 -0.005,654 0.082,655 0.036,656 0.084,657 0.058,658 0.095,659 0.069,660 0.029,661 -0.083,662 -0.038,663 -0.068,664 0.002,665 -0.064,666 1.906,667 6.125,668 0.667,669 45.026,670 0.988,671 1.129,672 3.669,673 13.465,674 0.63,675 3.807,676 4.29,677 4.691,678 5.063,679 5.352,680 5.561,681 5.826,682 6.073,683 6.303,684 6.534,685 7.228,686 0.582,687 534.81,688 3.807,689 5.451,690 6.385,691 7.361,692 8.319,693 9.301,694 10.271,695 11.257,696 12.234,697 13.223,698 2.4,701 1,705 1,715 5,720 1,722 6,729 1,741 85,743 9,744 1,745 44,747 90,748 33,749 6,750 1,751 5,752 1,756 6,757 16,763 4,764 3,766 3,767 7,768 4,770 8,772 11,773 22,774 4,777 3,782 1,784 3,786 2,793 46,794 6,795 3,796 6,802 2,808 0.333,809 4,811 2,815 1,828 2,829 3,830 2,832 1,833 1,834 2,849 3,850 1,855 1,857 2,858 1,859 2,864 6,868 39,875 2,876 5,877 1,878 1,880 7,881 1,882 4,893 4.7,894 2,896 1,897 1,901 21.167,902 16.433,903 8.063,904 5.246,907 1.532,908 1.162,909 0.887,910 6.378,911 11.017,912 3.932,913 4.483,914 4.968,915 5.428,916 5.839,917 6.034,918 6.357,919 6.626,920 6.936,921 7.247,922 0.889,923 89,924 14.768,926 6.844,927 0.026,929 7.598,931 29.014,933 26.908,936 2.098,937 81.833,941 506.157,942 153.71,943 21.135,945 121.512,948 153.71,949 627.669,950 21.135,951 52.094,952 32.741,953 161.177,954 40.849,955 9.495,957 506.157,959 506.157,960 174.845,961 121.512,964 376.675,965 154.627,966 96.367,968 71.166,969 75.25,970 28.429,972 506.157,973 142.647,974 153.71,977 506.157,978 25.806,979 131.028,980 18.011,981 121.512,982 506.157,983 142.647,984 153.71,986 0.621,987 0.391,988 0.213,989 0.116,990 41,991 19,992 0.044,993 4,994 5,995 1.346,996 4.383,997 452.233,998 0.385,999 25,1000 198.131,1005 27.357,1006 9.092,1007 3.75,1009 142.647,1010 9.316,1015 0.636,1017 103.377,1018 802.514,1019 50,1024 13.125,1026 6.686,1028 1.275,1031 83.952,1032 95.969,1034 0.21,1035 0.547,1036 0.783,1037 0.854,1038 0.885,1039 0.9,1040 5.325,1041 2.181,1042 6.503,1043 7.308,1044 4.977,1045 5.17,1046 2.118,1047 7.567,1048 4.935,1049 6.574,1050 2.059,1051 8.241,1052 7.099,1053 5.094,1054 5.207,1055 0.325,1056 9.265,1057 5.041,1058 7.959,1059 1.899,1060 10.105,1061 6.052,1062 6.905,1063 7.222,1064 2.107,1065 12.466,1066 6.838,1067 9.379,1068 1.624,1069 12.048,1070 5.384,1071 7.808,1072 7.999,1073 0.268,1074 14.952,1075 7.735,1076 10.838,1077 1.175,1078 14.043,1079 3.855,1080 9.246,1081 9.606,1082 2.233,1083 17.853,1084 9.163,1085 12.324,1086 1.057,1087 16.074,1088 3.323,1089 10.44,1090 10.689,1091 0.188,1092 20.581,1093 10.351,1094 13.832,1095 1,1096 18.13,1097 2.522,1098 11.797,1099 12.158,1100 2.411,1101 23.426,1102 11.699,1103 3.987,1104 0.93,1105 20.206,1106 2.48,1107 13.095,1108 13.38,1109 0.125,1110 26.229,1111 12.991,1112 3.829,1113 17.608,1114 22.296,1115 2.136,1116 14.443,1117 14.795,1118 2.614,1119 29.068,1120 14.332,1121 3.093,1122 16.15,1123 24.398,1124 4.031,1125 15.779,1126 16.085,1127 0.082,1128 31.897,1129 15.663,1130 2.931,1131 12.371,1132 26.509,1133 3.887,1134 17.132,1135 17.477,1136 2.832,1137 34.739,1138 17.01,1139 2.766,1140 11.294,1141 28.627,1142 3.668,1143 18.485,1144 18.802,1145 0.054,1146 37.579,1147 18.357,1148 2.501,1149 8.621,1150 30.751,1151 3.219,1152 19.844,1153 20.184,1154 3.059,1155 40.425,1156 19.711,1157 2.277,1158 8.411,1159 32.88,1160 2.971,1161 21.205,1162 21.53,1163 0.035,1164 43.272,1165 21.067,1166 20297,1167 28551,1168 28.027,1169 53.58,1170 70.944,1171 71.785,1172 74.518,1173 69.586,1174 69.563,1175 77.137,1176 8.369,1177 236.876,1178 67.92,1179 5.998,1180 6.097,1181 8.506,1182 6.062,1183 5.987,1184 7.031,1185 2.302,1186 27.385,1187 5.977,1188 24.646,1189 1.612,1190 1.631,1191 1.694,1192 1.582,1193 1.581,1194 1.753,1195 0.19,1196 5.384,1197 1.544,1198 4.148,1199 4.178,1200 4.073,1201 4.069,1202 7.429,1203 4.065,1204 3.989,1205 4.02,1206 3.916,1207 3.897,1208 6.451,1209 3.897,1210 3.901,1211 3.927,1212 3.837,1213 3.834,1214 6.446,1215 3.83,1216 3.696,1217 3.762,1218 3.579,1219 3.558,1220 4.771,1221 3.555,1222 3.524,1223 3.588,1224 3.392,1225 3.35,1226 4.714,1227 3.347,1228 3.443,1229 3.495,1230 3.313,1231 3.304,1232 4.496,1233 3.297,1234 3.342,1235 3.391,1236 3.249,1237 3.156,1238 4.321,1239 3.142,1240 3.285,1241 3.352,1242 3.114,1243 3.113,1244 4.159,1245 3.135,1246 0.114,1247 0.093,1248 0.198,1249 0.113,1250 0.091,1251 4.998,1252 0.092,1253 4.097,1254 0.026,1255 8.704,1256 0.4,1257 4.984,1258 0.09,1259 3.987,1260 4.031,1261 1.151,1262 17.608,1263 3.977,1264 1.977,1265 1.946,1266 2.12,1267 2.068,1268 1.553,1269 2.087,1270 1.931,1271 1.902,1272 2.058,1273 2.042,1274 1.473,1275 2.048,1276 1.877,1277 1.849,1278 2.006,1279 1.964,1280 1.324,1281 1.979,1282 1.754,1283 1.702,1284 1.959,1285 1.936,1286 1.08,1287 1.948,1288 1.537,1289 1.495,1290 1.762,1291 1.729,1292 1.053,1293 1.737,1294 1.47,1295 1.403,1296 1.741,1297 1.693,1298 1.012,1299 1.71,1300 1.436,1301 1.375,1302 1.689,1303 1.65,1304 0.937,1305 1.663,1306 1.326,1307 1.268,1308 1.607,1309 1.527,1310 0.73,1311 1.548,1312 4.489,1314 5.932,1315 3.045,1316 7.581,1317 5.778,1318 9.332,1319 8.159,1320 11.141,1322 13.368,1327 23.528,1328 3.605,1329 3.253,1330 6.675,1332 -0.689,1333 2.238,1334 -1.182,1340 49.492,1341 114.249,1342 298.154,1343 426.395,1344 465.249,1345 482.269,1346 490.269,1347 107.688,1348 9.484,1349 82.03,1350 82.03,1351 35,1352 13.69,1353 3.322,1354 2.807,1355 55.074,1356 173,1357 195,1358 0.165,1359 294.967,1360 535.72,1361 711.478,1362 186446,1364 27.957,1365 0.717,1366 0.624,1367 27.957,1368 24.354,1369 18.361,1370 0.417,1371 0.336,1372 14.63,1373 17.865,1374 14.008,1375 11.541,1376 18.361,1377 14.769,1378 18.66,1379 0.259,1380 0.198,1381 18.66,1382 14.255,1383 16.869,1384 0.156,1385 0.114,1386 16.869,1387 12.262,1388 14.915,1389 0.095,1390 0.063,1391 14.915,1392 9.836,1393 12.406,1394 0.059,1395 0.036,1396 12.406,1397 7.467,1398 0.253,1399 113.906,1400 0.189,1401 34.194,1402 0.472,1403 232,1404 481.748,1405 246.431,1406 465.896,1407 642.36,1408 436,1409 296,1410 472.369,1411 311.46,1412 486.23,1413 728.93,1414 455,1415 5.071}
{0 CHEMBL1651044,1 1.238,2 9.906,3 2.952,4 8.713,5 132.853,6 5.56,8 4.436,9 4.581,10 3.756,11 3.942,12 5.25,13 3.86,14 5.104,15 5.325,16 4.258,17 4.485,18 5.765,19 4.389,20 5.519,21 5.714,22 4.553,23 4.892,24 6.247,25 4.761,26 5.936,27 6.206,28 4.645,29 5.098,30 6.627,31 4.915,32 6.056,33 6.345,34 4.449,35 5.076,36 6.783,37 4.851,38 5.975,39 6.315,40 4.181,41 4.89,42 6.558,43 4.624,44 5.676,45 6.006,46 3.99,47 4.641,48 6.246,49 4.39,50 5.471,51 5.787,52 3.855,53 4.451,54 6.101,55 4.219,56 0.117,57 1.127,58 21.295,59 8.672,60 13.514,61 12.525,62 0.278,63 2.001,64 39.45,65 15.409,66 18.075,67 22.577,68 0.412,69 3.009,70 59.906,71 24.687,72 35.586,73 35.393,74 0.591,75 3.94,76 84.342,77 33.008,78 68.584,79 48.317,80 0.846,81 4.003,82 92.754,83 34.07,84 109.352,85 50.177,86 0.672,87 3.434,88 80.609,89 29.908,90 79.424,91 44.568,92 0.447,93 2.64,94 60.292,95 22.868,96 50.74,97 33.986,98 0.413,99 2.175,100 50.132,101 18.393,102 46.018,103 27.436,104 127,105 64,106 0.193,107 0.403,108 0.645,109 0.739,110 0.809,111 0.837,112 3.504,113 1.089,114 -5.3,115 -5.18,116 -4.85,121 35,122 5,123 5,124 3,125 5,126 4,129 4,137 2,176 21,180 3,185 3,187 37,192 5,195 1,197 4,200 41,206 6,209 1,211 10,214 36,219 6,224 6,227 22,232 4,237 6,239 13,244 5,249 5,251 11,256 5,261 3,264 6,269 3,273 1,274 2,277 1,281 1380,282 19.983,283 19.983,284 19.983,285 19.983,286 19.983,287 19.828,288 21.286,289 10.323,290 20.264,291 17.578,292 17.578,293 17.578,294 17.578,295 17.578,296 17.331,297 26.395,298 4.66,299 18.021,300 5.084,301 3.738,302 2.186,303 1.585,304 1.135,305 0.96,306 4.184,312 1,313 683,314 5.196,315 22.764,317 50.961,318 156.667,319 55.097,321 82.277,322 172.921,323 188.38,325 1.605,326 30.484,329 1,330 1,331 1,332 0.8,333 1,334 1,335 1,336 0.97,337 67,338 317,339 5.245,340 4.273,341 9.048,342 5.239,343 4.239,344 4.258,345 0.8,346 19.539,347 4.236,348 4.896,349 3.923,350 8.648,351 4.893,352 3.896,353 3.897,354 0.8,355 17.376,356 3.886,357 4.469,358 3.547,359 7.798,360 4.457,361 3.469,362 3.47,364 14.201,365 3.429,366 3.88,367 3.038,368 7.045,369 3.849,370 2.874,371 2.888,373 11.216,374 2.805,375 3.514,376 2.747,377 6.526,378 3.438,379 2.485,380 2.542,382 9.082,383 2.362,384 3.42,385 2.592,386 6.128,387 3.37,388 2.398,389 2.428,391 8.1,392 2.327,393 3.168,394 2.385,395 5.895,396 3.145,397 2.165,398 2.169,400 7.505,401 2.125,402 3.071,403 2.256,404 5.368,405 3.011,406 2.061,407 2.072,409 6.1,410 1.943,411 2.938,412 2.016,413 5.032,414 2.645,415 1.718,416 1.923,418 4.521,419 1.592,420 2.709,421 1.839,422 4.676,423 2.555,424 1.565,425 1.708,427 4.423,428 1.541,429 2.119,430 1.312,431 4.413,432 2.065,433 1.104,434 1.113,436 2.922,437 1.057,438 1.73,439 0.938,440 4,441 1.714,442 0.73,443 0.73,445 1.957,446 0.717,447 1.329,448 0.478,449 3.942,450 1.319,451 0.327,452 0.327,454 0.986,455 0.324,456 1.276,457 0.348,458 3.715,459 1.064,460 0.098,461 0.103,463 0.287,464 0.094,465 1.022,466 0.02,467 3.578,468 0.91,469 -0.072,470 -0.077,472 -0.212,473 -0.071,474 15.467,475 0.483,476 1.65,477 0.052,478 21,479 0.656,480 1,481 0.031,482 20,483 0.625,484 61.066,485 1.908,486 39.133,487 0.489,488 12.133,489 0.379,490 2.301,491 0.072,492 12.393,493 0.387,494 0.334,495 0.162,496 0.278,501 0.998,502 1.473,503 1.133,504 1.315,505 1.123,506 1.248,507 1.034,508 0.894,509 0.931,510 0.86,511 0.735,512 0.87,513 0.943,514 1.343,515 1.24,516 1.345,517 0.99,518 1.323,519 0.728,520 1.171,521 1.04,522 1.184,523 0.662,524 1.142,525 1.427,526 1.102,527 1.193,528 1.125,529 1.555,530 1.144,531 0.889,532 0.846,533 0.876,534 0.866,535 0.929,536 0.871,537 0.717,538 0.941,539 0.875,540 0.943,541 0.746,542 0.927,543 1.001,544 0.987,545 0.957,546 0.976,547 1.055,548 0.967,549 12,550 0.247,551 9.333,552 7.181,553 4.7,554 2.324,555 1.445,556 0.94,557 0.643,558 0.338,559 11012,560 16789,561 1.968,562 60,563 20,564 18,567 2,569 7,570 1,572 1.751,573 1.707,574 3.232,575 0.084,582 99.07,583 1.238,584 2.584,585 4.136,586 4.737,587 5.187,588 5.362,589 2.778,590 4.539,591 4.968,592 3.389,593 1680.72,594 8.728,595 21802.7,600 505.754,601 1.942,602 4.826,603 0.333,604 0.012,605 0.153,606 0.093,607 0.059,608 0.04,609 0.032,610 0.025,611 0.019,612 0.014,613 0.781,614 0.5,615 0.88,616 1.092,617 160.932,618 -0.016,619 -0.063,620 0.069,621 0.038,622 -0.16,623 0.054,624 -0.057,625 0.368,626 0.194,627 0.317,628 -0.004,629 0.287,630 -0.032,631 -0.071,632 -0.118,633 -0.093,634 -0.072,635 -0.111,636 0.056,637 -0.089,638 -0.027,639 -0.103,640 0.096,641 -0.074,642 -0.134,643 -0.12,644 -0.175,645 -0.13,646 -0.117,647 -0.154,648 -0.008,649 0.035,650 0.046,651 0.046,652 -0.016,653 0.05,654 0.03,655 -0.027,656 0.05,657 0.003,658 0.011,659 0.024,660 -0.014,661 -0.049,662 0.005,663 -0.024,664 -0.036,665 -0.011,666 1.598,667 5.413,668 0.563,669 28.266,670 0.977,671 1.137,672 4.066,673 16.535,674 0.605,675 3.611,676 4.174,677 4.605,678 5.017,679 5.318,680 5.613,681 5.914,682 6.172,683 6.387,684 6.554,685 5.775,686 0.545,687 444.78,688 3.611,689 5.303,690 6.279,691 7.306,692 8.31,693 9.344,694 10.362,695 11.401,696 12.428,697 13.469,698 2.5,701 2,741 80,743 1,745 36,747 84,748 28,756 5,757 17,763 5,764 5,766 5,767 8,768 3,770 9,772 2,773 26,774 3,777 1,784 2,793 48,794 4,795 2,796 4,802 2,808 0.2,809 2,811 2,826 1,828 1,829 3,830 1,832 1,833 2,834 2,849 2,855 2,857 2,859 1,864 9,868 32,875 2,876 5,880 7,881 2,882 5,893 2.5,894 2,901 18.75,902 16.55,903 6.431,904 5.025,907 0.366,908 1.041,909 0.847,910 4.828,911 9.211,912 3.638,913 4.205,914 4.654,915 5.118,916 5.464,917 5.799,918 6.14,919 6.441,920 6.698,921 6.888,922 0.857,923 77,924 12.109,926 5.577,927 0.026,929 7.409,931 24.626,933 23.759,936 1.909,937 61.083,941 541.471,942 109.337,943 6.249,945 85.367,948 109.337,949 626.837,950 6.249,951 77.712,952 12.673,953 104.319,955 6.249,957 541.471,959 541.471,960 115.585,961 85.367,964 447.302,965 94.169,966 85.367,968 63.047,969 33.586,970 18.952,972 541.471,973 91.615,974 109.337,977 541.471,978 12.673,979 102.913,981 85.367,982 541.471,983 91.615,984 109.337,986 0.641,987 0.406,988 0.225,989 0.115,990 39,991 19,992 0.036,993 3,994 4,995 1.444,996 3.706,997 356.11,998 0.444,999 18,1000 150,1005 23.332,1006 6.621,1007 2.574,1009 91.615,1017 85.367,1018 742.423,1019 37,1026 5.18,1031 78.181,1032 90.965,1034 0.196,1035 0.409,1036 0.654,1037 0.749,1038 0.82,1039 0.848,1040 5.124,1041 2.061,1042 6.454,1043 7.505,1044 4.86,1045 4.89,1046 1.072,1047 7.615,1048 4.823,1049 6.42,1050 1.718,1051 8.262,1052 6.1,1053 5.198,1054 5.198,1055 0.57,1056 9.521,1057 5.16,1058 7.866,1059 1.565,1060 10.195,1061 4.521,1062 6.944,1063 6.982,1064 0.653,1065 12.779,1066 6.903,1067 9.347,1068 1.104,1069 12.205,1070 4.423,1071 8.003,1072 8.01,1073 0.479,1074 15.412,1075 7.968,1076 10.868,1077 0.73,1078 14.262,1079 2.922,1080 9.453,1081 9.484,1082 0.432,1083 18.399,1084 9.418,1085 12.415,1086 0.327,1087 16.352,1088 1.957,1089 10.746,1090 10.762,1091 0.346,1092 21.243,1093 10.716,1094 13.983,1095 0.098,1096 18.464,1097 0.986,1098 12.145,1099 12.175,1100 0.291,1101 24.184,1102 12.116,1103 4.239,1104 -0.072,1105 20.592,1106 0.287,1107 13.514,1108 13.539,1109 0.237,1110 27.093,1111 13.487,1112 3.896,1113 19.539,1114 22.732,1115 -0.212,1116 14.913,1117 14.946,1118 0.195,1119 30.03,1120 14.887,1121 3.469,1122 17.376,1123 24.882,1124 4.258,1125 16.309,1126 16.343,1127 0.158,1128 32.963,1129 16.284,1130 2.874,1131 14.201,1132 27.039,1133 3.897,1134 17.716,1135 17.755,1136 0.129,1137 35.907,1138 17.692,1139 2.485,1140 11.216,1141 29.201,1142 3.47,1143 19.124,1144 19.167,1145 0.104,1146 38.851,1147 19.101,1148 2.398,1149 9.082,1150 31.368,1151 2.888,1152 20.538,1153 20.586,1154 0.084,1155 41.801,1156 20.515,1157 2.165,1158 8.1,1159 33.539,1160 2.542,1161 21.954,1162 22.007,1163 0.068,1164 44.752,1165 21.932,1166 10803,1167 13305,1168 21.671,1169 48.433,1170 58.752,1171 59.12,1172 64.955,1173 58.304,1174 58.26,1175 59.258,1176 3.2,1177 216.432,1178 56.877,1179 6.245,1180 6.273,1181 8.211,1182 6.239,1183 6.239,1184 6.678,1185 1.2,1186 29.92,1187 6.236,1188 23.771,1189 1.632,1190 1.642,1191 1.804,1192 1.62,1193 1.618,1194 1.646,1195 0.089,1196 6.012,1197 1.58,1198 4.216,1199 4.246,1200 4.145,1201 4.159,1202 6.451,1203 4.152,1204 3.952,1205 3.991,1206 3.864,1207 3.864,1208 6.446,1209 3.859,1210 3.743,1211 3.806,1212 3.631,1213 3.606,1214 4.632,1215 3.603,1216 3.591,1217 3.67,1218 3.447,1219 3.412,1220 4.388,1221 3.408,1222 3.477,1223 3.549,1224 3.33,1225 3.334,1226 4.317,1227 3.326,1228 3.367,1229 3.447,1230 3.181,1231 3.2,1232 4.187,1233 3.183,1234 3.343,1235 3.411,1236 3.162,1237 3.147,1238 4.027,1239 3.139,1240 3.22,1241 3.311,1242 3.02,1243 3.013,1244 4.003,1245 2.994,1246 0.146,1247 0.119,1248 0.251,1249 0.146,1250 0.118,1251 5.245,1252 0.118,1253 4.273,1254 0.022,1255 9.048,1256 0.543,1257 5.239,1258 0.118,1259 4.239,1260 4.258,1261 0.8,1262 19.539,1263 4.236,1264 2.008,1265 1.977,1266 2.146,1267 2.104,1268 1.607,1269 2.12,1270 1.878,1271 1.837,1272 2.051,1273 2.01,1274 1.476,1275 2.026,1276 1.743,1277 1.691,1278 1.95,1279 1.923,1280 1.31,1281 1.936,1282 1.504,1283 1.435,1284 1.77,1285 1.726,1286 1.026,1287 1.748,1288 1.472,1289 1.398,1290 1.755,1291 1.702,1292 0.961,1293 1.723,1294 1.394,1295 1.325,1296 1.691,1297 1.594,1298 0.939,1299 1.628,1300 1.351,1301 1.274,1302 1.639,1303 1.553,1304 0.874,1305 1.583,1306 1.298,1307 1.22,1308 1.62,1309 1.51,1310 0.788,1311 1.554,1312 4.29,1313 1.946,1314 5.796,1315 4.394,1316 7.519,1317 6.718,1318 9.357,1319 8.95,1320 11.26,1322 20.684,1327 22.814,1328 5.575,1332 1.42,1333 4.564,1334 0.847,1340 43.589,1341 99.07,1342 206.71,1343 330.912,1344 378.96,1345 414.96,1346 428.96,1347 82.85,1348 8.844,1349 46.94,1350 46.94,1351 26,1352 13.906,1353 1,1354 1,1355 45.492,1356 113,1357 107,1358 0.215,1359 261.043,1360 468.1,1361 628.704,1362 75432,1364 23.646,1365 0.739,1366 0.688,1367 23.646,1368 22.021,1369 14.694,1370 0.408,1371 0.363,1372 12.957,1373 14.33,1374 12.178,1375 10.11,1376 14.694,1377 13.069,1378 16.089,1379 0.251,1380 0.221,1381 16.089,1382 14.167,1383 14.051,1384 0.142,1385 0.124,1386 14.051,1387 12.265,1388 13.269,1389 0.088,1390 0.072,1391 13.269,1392 10.766,1393 9.933,1394 0.049,1395 0.04,1396 9.933,1397 8.073,1398 0.321,1399 90.81,1400 0.215,1401 28.424,1402 0.65,1403 200,1404 313.59,1405 207.704,1406 310.909,1407 436.6,1408 290,1409 266,1410 329.067,1411 274.871,1412 348.231,1413 526.96,1414 321,1415 4.64}
{0 CHEMBL1651045,1 1.189,2 10,3 4.461,4 19.902,5 129.73,6 5.457,8 4.368,9 4.519,10 3.669,11 3.882,12 5.16,13 3.791,14 5.037,15 5.267,16 4.127,17 4.403,18 5.678,19 4.291,20 5.431,21 5.647,22 4.406,23 4.787,24 6.112,25 4.643,26 5.797,27 6.069,28 4.425,29 4.967,30 6.445,31 4.762,32 5.916,33 6.228,34 4.292,35 4.933,36 6.559,37 4.696,38 5.799,39 6.13,40 4.032,41 4.768,42 6.368,43 4.503,44 5.556,45 5.89,46 3.876,47 4.555,48 6.093,49 4.299,50 5.371,51 5.693,52 3.727,53 4.387,54 5.903,55 4.137,56 0.107,57 1.061,58 19.967,59 8.138,60 10.944,61 11.875,62 0.245,63 1.862,64 36.554,65 14.263,66 14.365,67 21.118,68 0.307,69 2.725,70 53.803,71 22.403,72 24.621,73 32.342,74 0.476,75 3.476,76 72.383,77 29.375,78 49.407,79 42.832,80 0.583,81 3.508,82 77.742,83 29.943,84 71.741,85 44.037,86 0.479,87 3.025,88 67.096,89 26.188,90 54.967,91 38.608,92 0.327,93 2.41,94 52.404,95 21.06,96 36.042,97 30.918,98 0.275,99 2.057,100 44.272,101 17.359,102 26.032,103 25.791,104 87,105 53,106 0.188,107 0.422,108 0.695,109 0.79,110 0.811,111 0.848,112 3.442,113 1.129,114 -5.8,115 -5.66,116 -5.27,121 35.5,122 4,123 6,124 4,125 2,126 4,129 3,137 2,138 2,176 20,180 4,185 2,187 34,192 4,197 2,200 40,206 6,209 1,211 5,214 32,219 5,224 3,227 24,232 4,237 2,239 17,244 4,249 2,251 13,256 6,261 2,264 6,269 4,274 2,277 2,281 1260,282 19.147,283 19.147,284 19.147,285 19.147,286 19.147,287 18.704,288 27.819,289 10.359,290 19.4,291 16.125,292 16.125,293 16.125,294 16.125,295 16.125,296 15.41,297 39.257,298 4.736,299 16.509,300 5.059,301 3.57,302 1.843,303 1.237,304 1.106,305 0.869,306 4.124,312 1,313 637,314 4.359,317 47.244,318 108.055,319 54.118,321 78.231,323 184.818,325 1.533,326 20.049,329 0.75,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.94,337 62,338 300,339 4.993,340 4.023,341 8.704,342 4.98,343 3.982,344 4.029,345 0.8,346 17.604,347 3.974,348 4.285,349 3.393,350 7.023,351 4.154,352 3.165,353 3.512,354 0.8,355 11.342,356 3.133,357 4.006,358 3.134,359 6.708,360 3.936,361 2.956,362 3.074,363 0.68,364 10.733,365 2.901,366 3.754,367 2.886,368 6.209,369 3.579,370 2.613,371 2.807,373 8.608,374 2.525,375 3.501,376 2.709,377 5.958,378 3.37,379 2.406,380 2.562,382 8.045,383 2.318,384 3.336,385 2.403,386 5.643,387 3.195,388 2.209,389 2.35,391 7.109,392 2.176,393 3.1,394 2.323,395 5.367,396 3.021,397 2.077,398 2.101,400 6.068,401 1.951,402 2.962,403 2.006,404 4.931,405 2.796,406 1.803,407 1.958,409 5.178,410 1.788,411 2.482,412 1.593,413 4.477,414 2.413,415 1.442,416 1.471,418 3.722,419 1.398,420 2.264,421 1.444,422 4.084,423 2.21,424 1.236,425 1.255,427 3.119,428 1.201,429 2.059,430 1.172,431 3.877,432 1.996,433 1.032,434 1.044,436 2.523,437 0.991,438 1.796,439 0.946,440 3.586,441 1.652,442 0.662,443 0.704,445 1.633,446 0.655,447 1.228,448 0.361,449 3.41,450 1.202,451 0.209,452 0.21,454 0.566,455 0.207,456 1.206,457 0.091,458 3.276,459 0.993,465 0.845,466 0.009,467 3.042,468 0.804,469 -0.183,470 -0.189,472 -0.484,473 -0.181,474 14.633,475 0.488,476 1.249,477 0.042,478 21.25,479 0.708,480 3,481 0.1,482 18.25,483 0.608,484 51.749,485 1.725,486 36.367,487 0.479,488 12.4,489 0.413,490 2.722,491 0.091,492 11.286,493 0.376,494 0.296,495 0.068,496 0.362,501 1.026,502 1.499,503 1.165,504 1.334,505 1.173,506 1.271,507 1.224,508 0.929,509 1.004,510 0.898,511 0.765,512 0.92,513 1.022,514 1.247,515 1.203,516 1.255,517 1.024,518 1.242,519 0.769,520 1.231,521 1.139,522 1.249,523 0.78,524 1.222,525 1.294,526 0.98,527 1.036,528 0.999,529 1.45,530 1.005,531 1.041,532 0.915,533 0.966,534 0.937,535 1.141,536 0.949,537 0.672,538 0.909,539 0.863,540 0.919,541 0.767,542 0.908,543 0.67,544 1.065,545 0.957,546 1.044,547 0.612,548 1.022,549 8.5,550 0.192,551 6.889,552 4.986,553 3.206,554 1.862,555 0.869,556 0.781,557 0.446,558 0.328,559 9598,560 13856,561 1.974,562 60.5,563 19,564 17,567 1,569 8,570 1,572 1.733,573 1.748,574 3.272,575 -0.481,582 90.377,583 1.189,584 2.678,585 4.405,586 5.011,587 5.142,588 5.379,589 2.766,590 4.507,591 4.876,592 3.417,593 1486.44,594 8.535,595 18947,600 474.842,601 1.821,602 4.767,603 0.258,604 0.011,605 0.13,606 0.074,607 0.052,608 0.036,609 0.022,610 0.022,611 0.015,612 0.013,613 0.633,614 0.67,615 0.88,616 1.109,617 149.286,618 0.033,619 -0.107,620 0.068,622 -0.148,623 0.027,624 -0.076,625 0.31,626 0.14,627 0.251,628 -0.002,629 0.219,630 -0.073,631 -0.023,632 -0.079,633 -0.05,634 -0.074,635 -0.062,636 0.045,637 -0.155,638 -0.114,639 -0.167,640 0.053,641 -0.152,642 -0.066,643 -0.028,644 -0.049,645 -0.031,646 -0.032,647 -0.038,648 -0.049,649 -0.002,650 -0.021,651 0.001,652 -0.042,653 -0.008,654 0.038,655 0.007,656 0.062,657 0.035,658 0.004,659 0.047,660 0.04,661 -0.11,662 -0.011,663 -0.074,664 0.022,665 -0.05,666 1.527,667 5.304,668 0.6,669 26.333,670 0.973,671 1.136,672 4.568,673 20.871,674 0.608,675 3.526,676 3.989,677 4.369,678 4.691,679 4.942,680 5.13,681 5.338,682 5.545,683 5.707,684 5.889,685 5.859,686 0.544,687 414.75,688 3.526,689 5.153,690 6.075,691 7.033,692 7.978,693 8.94,694 9.896,695 10.862,696 11.824,697 12.793,698 2.6,701 2,741 76,743 2,745 33,747 79,748 27,752 4,756 4,757 10,763 4,764 2,766 2,767 8,768 4,770 9,772 4,773 23,774 4,777 2,784 2,786 2,793 46,794 3,795 1,796 3,802 2,808 0.25,809 1,811 1,828 1,829 2,830 1,832 1,834 2,849 2,850 2,855 2,857 1,859 1,864 8,868 30,875 1,876 6,880 7,881 2,882 2,893 1.3,894 1,901 17.167,902 15.6,903 6.285,904 4.965,907 0.833,908 1.101,909 0.881,910 5.823,911 9.111,912 3.584,913 4.094,914 4.533,915 4.942,916 5.298,917 5.617,918 5.93,919 6.244,920 6.475,921 6.708,922 0.857,923 67,924 11.289,926 4.918,927 0.026,929 7.306,931 23.193,933 21.234,936 1.806,937 54.167,941 529.7,942 109.417,943 6.249,945 42.683,948 109.417,949 572.383,950 6.249,951 68.886,952 15.207,953 61.636,955 12.62,957 529.7,959 529.7,960 115.666,961 42.683,964 423.76,965 105.94,966 42.683,968 56.757,969 39.957,970 18.952,972 529.7,973 48.932,974 109.417,977 529.7,978 21.578,979 94.087,981 42.683,982 529.7,983 48.932,984 109.417,986 0.621,987 0.39,988 0.207,989 0.108,990 29,991 15,992 0.038,993 3,994 3,995 1.333,996 3.672,997 301.699,998 0.333,999 18,1000 139.207,1005 22.554,1006 7.746,1007 3.298,1009 48.932,1017 42.683,1018 688.049,1019 35,1026 5.211,1028 3.326,1031 73.97,1032 86.34,1034 0.19,1035 0.429,1036 0.705,1037 0.802,1038 0.823,1039 0.861,1040 4.984,1041 1.803,1042 6.18,1043 6.068,1044 4.673,1045 4.779,1046 1.347,1047 7.21,1048 4.636,1049 6.211,1050 1.442,1051 7.901,1052 5.178,1053 4.745,1054 4.844,1055 0.57,1056 8.806,1057 4.695,1058 7.582,1059 1.236,1060 9.744,1061 3.722,1062 6.544,1063 6.756,1064 0.854,1065 12.019,1066 6.493,1067 8.986,1068 1.032,1069 11.666,1070 3.119,1071 7.403,1072 7.571,1073 0.479,1074 14.475,1075 7.351,1076 10.431,1077 0.662,1078 13.643,1079 2.523,1080 8.83,1081 9.095,1082 0.553,1083 17.397,1084 8.78,1085 11.904,1086 0.209,1087 15.661,1088 1.633,1089 10,1090 10.218,1091 0.346,1092 20.139,1093 9.954,1094 13.401,1096 17.711,1097 0.566,1098 11.35,1099 11.628,1100 0.357,1101 23.011,1102 11.306,1103 3.982,1104 -0.183,1105 19.786,1107 12.64,1108 12.885,1109 0.237,1110 25.84,1111 12.599,1112 3.165,1113 17.604,1114 21.88,1115 -0.484,1116 13.986,1117 14.263,1118 0.229,1119 28.705,1120 13.947,1121 2.956,1122 11.342,1123 23.99,1124 4.029,1125 15.323,1126 15.582,1127 0.158,1128 31.56,1129 15.286,1130 2.613,1131 10.733,1132 26.112,1133 3.512,1134 16.68,1135 16.954,1136 0.146,1137 34.426,1138 16.643,1139 2.406,1140 8.608,1141 28.244,1142 3.074,1143 18.038,1144 18.303,1145 0.104,1146 37.29,1147 18.002,1148 2.209,1149 8.045,1150 30.382,1151 2.807,1152 19.404,1153 19.677,1154 0.093,1155 40.157,1156 19.368,1157 2.077,1158 7.109,1159 32.527,1160 2.562,1161 20.772,1162 21.042,1163 0.068,1164 43.023,1165 20.736,1166 9478,1167 11399,1168 20.403,1169 46.217,1170 52.25,1171 52.072,1172 56.565,1173 51.674,1174 51.581,1175 54.154,1176 4.56,1177 172.5,1178 50.438,1179 5.993,1180 6.009,1181 7.964,1182 5.98,1183 5.982,1184 6.688,1185 1.48,1186 27.371,1187 5.974,1188 20.863,1189 1.583,1190 1.578,1191 1.714,1192 1.566,1193 1.563,1194 1.641,1195 0.138,1196 5.227,1197 1.528,1198 4.124,1199 4.159,1200 4.042,1201 4.057,1202 6.449,1203 4.049,1204 3.928,1205 3.975,1206 3.83,1207 3.838,1208 4.625,1209 3.83,1210 3.703,1211 3.773,1212 3.583,1213 3.557,1214 4.402,1215 3.554,1216 3.558,1217 3.638,1218 3.414,1219 3.37,1220 4.334,1221 3.369,1222 3.432,1223 3.496,1224 3.276,1225 3.309,1226 4.188,1227 3.291,1228 3.385,1229 3.467,1230 3.207,1231 3.193,1232 4,1233 3.186,1234 3.292,1235 3.374,1236 3.087,1237 3.134,1238 3.865,1239 3.112,1240 3.212,1241 3.311,1242 2.978,1243 3.011,1244 3.811,1245 2.988,1246 0.151,1247 0.122,1248 0.264,1249 0.151,1250 0.121,1251 4.993,1252 0.122,1253 4.023,1254 0.024,1255 8.704,1256 0.533,1257 4.98,1258 0.12,1259 3.982,1260 4.029,1261 0.8,1262 17.604,1263 3.974,1264 1.98,1265 1.95,1266 2.12,1267 2.072,1268 1.55,1269 2.09,1270 1.936,1271 1.893,1272 2.111,1273 2.056,1274 1.514,1275 2.077,1276 1.754,1277 1.701,1278 1.96,1279 1.935,1280 1.325,1281 1.947,1282 1.534,1283 1.464,1284 1.797,1285 1.755,1286 1.099,1287 1.775,1288 1.475,1289 1.416,1290 1.744,1291 1.695,1292 0.961,1293 1.714,1294 1.455,1295 1.375,1296 1.73,1297 1.635,1298 0.916,1299 1.672,1300 1.303,1301 1.212,1302 1.65,1303 1.527,1304 0.86,1305 1.574,1306 1.28,1307 1.201,1308 1.611,1309 1.485,1310 0.755,1311 1.533,1312 4.205,1314 5.631,1315 2.398,1316 7.261,1317 5.13,1318 8.992,1319 7.516,1320 10.781,1322 18.684,1327 11.304,1328 7.221,1332 3.306,1333 4.772,1334 0.344,1340 41.347,1341 90.377,1342 203.513,1343 334.803,1344 380.803,1345 390.803,1346 408.803,1347 67.18,1348 8.278,1349 26.71,1350 26.71,1351 24,1352 13.272,1353 1.585,1354 1.585,1355 46.855,1356 106,1357 107,1358 0.228,1359 251.92,1360 451.73,1361 606.445,1362 42300,1364 22.008,1365 0.734,1366 0.693,1367 22.008,1368 20.78,1369 14.009,1370 0.425,1371 0.376,1372 12.329,1373 13.708,1374 11.632,1375 9.727,1376 14.009,1377 12.424,1378 14.132,1379 0.267,1380 0.229,1381 14.132,1382 12.129,1383 12.539,1384 0.161,1385 0.136,1386 12.539,1387 10.584,1388 10.744,1389 0.099,1390 0.078,1391 10.744,1392 8.454,1393 8.356,1394 0.06,1395 0.044,1396 8.356,1397 6.149,1398 0.345,1399 86.117,1400 0.221,1401 27.286,1402 0.672,1403 172,1404 267.44,1405 177.601,1406 268.428,1407 377.54,1408 252,1409 217,1410 282.794,1411 223.49,1412 299.945,1413 442.68,1414 277,1415 4.588}
{0 CHEMBL1651046,1 1.181,2 10.032,3 4.735,4 22.419,5 134.128,6 5.428,8 4.404,9 4.556,10 3.699,11 3.917,12 5.198,13 3.825,14 5.073,15 5.304,16 4.175,17 4.444,18 5.713,19 4.334,20 5.47,21 5.677,22 4.464,23 4.843,24 6.165,25 4.7,26 5.872,27 6.148,28 4.495,29 5.036,30 6.516,31 4.832,32 5.983,33 6.29,34 4.346,35 5.011,36 6.631,37 4.77,38 5.9,39 6.243,40 4.078,41 4.838,42 6.444,43 4.562,44 5.589,45 5.918,46 3.961,47 4.611,48 6.135,49 4.364,50 5.436,51 5.747,52 3.826,53 4.488,54 5.988,55 4.242,56 0.111,57 1.099,58 20.742,59 8.482,60 11.676,61 12.367,62 0.25,63 1.933,64 37.913,65 14.894,66 15.149,67 22.007,68 0.314,69 2.872,70 56.44,71 23.601,72 26.578,73 34.051,74 0.514,75 3.734,76 77.703,77 31.412,78 53.792,79 45.901,80 0.601,81 3.782,82 83.099,83 32.388,84 76.661,85 47.512,86 0.512,87 3.272,88 72.789,89 28.532,90 59.052,91 42.063,92 0.332,93 2.522,94 54.299,95 22.005,96 37.699,97 32.217,98 0.286,99 2.247,100 47.726,101 19.008,102 28.776,103 28.092,104 106,105 56,106 0.185,107 0.413,108 0.67,109 0.751,110 0.794,111 0.83,112 3.473,113 1.126,114 -6,115 -5.85,116 -5.44,121 35.4,122 5,123 6,124 3,125 3,126 4,129 3,137 2,138 2,176 21,180 4,185 2,187 36,192 5,197 2,200 43,206 6,209 1,211 5,214 35,219 5,224 3,227 26,232 4,237 2,239 19,244 4,249 2,251 17,256 6,261 2,264 8,269 4,274 3,277 2,281 1345,282 19.489,283 19.489,284 19.489,285 19.489,286 19.489,287 19.046,288 27.819,289 10.425,290 19.741,291 16.621,292 16.621,293 16.621,294 16.621,295 16.621,296 15.908,297 39.257,298 4.75,299 17.001,300 5.123,301 3.665,302 2.021,303 1.504,304 1.225,305 0.997,306 4.152,312 1,313 658,314 4.637,317 49.505,318 112.226,319 55.705,321 81.961,323 191.225,325 1.521,326 21.241,329 0.75,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.94,337 64,338 311,339 4.993,340 4.023,341 8.704,342 4.98,343 3.982,344 4.031,345 0.8,346 17.604,347 3.975,348 4.611,349 3.703,350 7.77,351 4.576,352 3.583,353 3.693,354 0.8,355 14.122,356 3.558,357 4.094,358 3.159,359 7.021,360 3.962,361 2.978,362 3.282,363 0.68,364 11.321,365 2.934,366 3.806,367 2.916,368 6.243,369 3.612,370 2.637,371 2.868,373 8.817,374 2.574,375 3.505,376 2.71,377 6.114,378 3.371,379 2.407,380 2.58,382 8.171,383 2.322,384 3.343,385 2.438,386 5.682,387 3.225,388 2.251,389 2.355,391 7.175,392 2.189,393 3.214,394 2.402,395 5.367,396 3.083,397 2.125,398 2.226,400 6.258,401 2.041,402 3.087,403 2.267,404 5.328,405 2.972,406 2.003,407 2.088,409 6.004,410 1.92,411 2.596,412 1.66,413 4.575,414 2.537,415 1.552,416 1.588,418 4.145,419 1.526,420 2.264,421 1.444,422 4.259,423 2.21,424 1.238,425 1.256,427 3.17,428 1.201,429 2.114,430 1.219,431 3.913,432 2.018,433 1.055,434 1.079,436 2.594,437 1.012,438 1.837,439 0.964,440 3.603,441 1.683,442 0.696,443 0.745,445 1.772,446 0.686,447 1.311,448 0.513,449 3.506,450 1.292,451 0.303,452 0.304,454 0.835,455 0.299,456 1.212,457 0.105,458 3.292,459 1,460 0.007,461 0.007,463 0.018,464 0.006,465 0.881,466 0.049,467 3.208,468 0.844,469 -0.144,470 -0.147,472 -0.385,473 -0.142,474 15.133,475 0.488,476 1.416,477 0.046,478 21.75,479 0.702,480 3,481 0.097,482 18.75,483 0.605,484 55.914,485 1.804,486 37.667,487 0.477,488 12.812,489 0.413,490 2.719,491 0.088,492 11.623,493 0.375,494 0.319,495 0.099,496 0.317,501 1.03,502 1.499,503 1.175,504 1.34,505 1.202,506 1.279,507 1.213,508 0.897,509 0.971,510 0.866,511 0.75,512 0.887,513 1.023,514 1.313,515 1.241,516 1.31,517 1.041,518 1.293,519 0.802,520 1.192,521 1.125,522 1.209,523 0.757,524 1.189,525 1.275,526 1.038,527 1.085,528 1.062,529 1.442,530 1.066,531 0.971,532 0.852,533 0.898,534 0.872,535 1.053,536 0.882,537 0.675,538 0.905,539 0.86,540 0.914,541 0.771,542 0.903,543 0.68,544 1.138,545 1.031,546 1.125,547 0.643,548 1.103,549 10,550 0.225,551 7.778,552 5.674,553 3.387,554 1.997,555 0.991,556 0.897,557 0.527,558 0.368,559 10257,560 14663,561 1.949,562 60.8,563 22,564 17,567 1,569 7,570 1,572 1.742,573 1.714,574 3.266,575 -0.488,582 93.315,583 1.181,584 2.639,585 4.283,586 4.8,587 5.079,588 5.306,589 2.756,590 4.478,591 4.925,592 3.421,593 1590.97,594 8.633,595 20659.7,600 497.999,601 1.883,602 4.8,603 0.294,604 0.011,605 0.139,606 0.08,607 0.051,608 0.037,609 0.024,610 0.023,611 0.016,612 0.014,613 0.689,614 0.67,615 0.88,616 1.101,617 155.607,618 0.035,619 -0.103,620 0.066,622 -0.166,623 0.026,624 -0.062,625 0.342,626 0.178,627 0.288,628 0.014,629 0.257,630 -0.071,631 -0.065,632 -0.099,633 -0.082,634 -0.082,635 -0.091,636 0.035,637 -0.117,638 -0.097,639 -0.135,640 0.06,641 -0.125,642 -0.076,643 -0.07,644 -0.092,645 -0.078,646 -0.055,647 -0.086,648 -0.025,649 0.036,650 0.028,651 0.046,652 -0.019,653 0.04,654 0.039,655 0.026,656 0.073,657 0.052,658 0.008,659 0.062,660 0.018,661 -0.151,662 -0.066,663 -0.125,664 -0.002,665 -0.105,666 1.534,667 5.345,668 0.581,669 26.772,670 0.973,671 1.136,672 4.767,673 22.722,674 0.607,675 3.555,676 4.043,677 4.419,678 4.745,679 4.97,680 5.17,681 5.389,682 5.606,683 5.765,684 5.964,685 5.898,686 0.543,687 428.78,688 3.555,689 5.198,690 6.125,691 7.094,692 8.042,693 9.015,694 9.972,695 10.946,696 11.909,697 12.884,698 2.5,701 2,741 79,743 2,745 34,747 82,748 28,752 4,756 4,757 10,763 5,764 3,766 3,767 8,768 3,770 9,772 4,773 24,774 3,777 2,784 2,786 2,793 48,794 3,795 1,796 3,802 2,808 0.25,809 1,811 1,828 1,829 2,830 1,832 1,834 2,849 2,850 2,855 2,857 1,859 1,864 9,868 31,875 1,876 6,880 6,881 2,882 3,893 1.3,894 1,901 18.083,902 16.517,903 6.396,904 5.076,907 0.831,908 1.1,909 0.874,910 5.847,911 9.182,912 3.611,913 4.143,914 4.575,915 4.99,916 5.323,917 5.659,918 5.976,919 6.299,920 6.532,921 6.779,922 0.857,923 71,924 11.664,926 5.089,927 0.026,929 7.309,931 23.928,933 21.936,936 1.809,937 56.083,941 553.242,942 118.242,943 6.249,945 42.683,948 118.242,949 595.925,950 6.249,951 77.712,952 15.207,953 61.636,955 12.62,957 553.242,959 553.242,960 124.491,961 42.683,964 459.073,965 94.169,966 42.683,968 65.582,969 39.957,970 18.952,972 553.242,973 48.932,974 118.242,977 553.242,978 21.578,979 102.913,981 42.683,982 553.242,983 48.932,984 118.242,986 0.628,987 0.393,988 0.208,989 0.105,990 31,991 16,992 0.037,993 3,994 3,995 1.333,996 3.682,997 318.984,998 0.333,999 18,1000 145.58,1005 23.519,1006 7.707,1007 3.321,1009 48.932,1017 42.683,1018 720.416,1019 36,1026 5.218,1028 3.308,1031 76.854,1032 89.756,1034 0.187,1035 0.419,1036 0.679,1037 0.761,1038 0.806,1039 0.842,1040 5.03,1041 2.003,1042 6.256,1043 6.258,1044 4.727,1045 4.828,1046 1.347,1047 7.317,1048 4.692,1049 6.282,1050 1.552,1051 8,1052 6.004,1053 4.89,1054 4.977,1055 0.57,1056 8.995,1057 4.847,1058 7.675,1059 1.238,1060 9.869,1061 4.145,1062 6.655,1063 6.847,1064 0.854,1065 12.193,1066 6.609,1067 9.1,1068 1.055,1069 11.814,1070 3.17,1071 7.576,1072 7.719,1073 0.479,1074 14.665,1075 7.531,1076 10.563,1077 0.696,1078 13.81,1079 2.594,1080 8.996,1081 9.225,1082 0.553,1083 17.57,1084 8.951,1085 12.051,1086 0.303,1087 15.84,1088 1.772,1089 10.194,1090 10.378,1091 0.346,1092 20.295,1093 10.151,1094 13.561,1095 0.007,1096 17.898,1097 0.835,1098 11.542,1099 11.78,1100 0.357,1101 23.147,1102 11.5,1103 3.982,1104 -0.144,1105 19.975,1106 0.018,1107 12.839,1108 13.05,1109 0.237,1110 25.955,1111 12.798,1112 3.583,1113 17.604,1114 22.067,1115 -0.385,1116 14.181,1117 14.423,1118 0.229,1119 28.802,1120 14.14,1121 2.978,1122 14.122,1123 24.171,1124 4.031,1125 15.515,1126 15.745,1127 0.158,1128 31.64,1129 15.474,1130 2.637,1131 11.321,1132 26.286,1133 3.693,1134 16.864,1135 17.112,1136 0.146,1137 34.492,1138 16.822,1139 2.407,1140 8.817,1141 28.408,1142 3.282,1143 18.213,1144 18.459,1145 0.104,1146 37.344,1147 18.171,1148 2.251,1149 8.171,1150 30.536,1151 2.868,1152 19.569,1153 19.827,1154 0.093,1155 40.201,1156 19.526,1157 2.125,1158 7.175,1159 32.669,1160 2.58,1161 20.927,1162 21.188,1163 0.068,1164 43.059,1165 20.883,1166 10168,1167 12169,1168 20.69,1169 47.978,1170 54.327,1171 54.265,1172 58.52,1173 53.703,1174 53.63,1175 56.203,1176 4.56,1177 184.01,1178 52.487,1179 5.993,1180 6.01,1181 7.955,1182 5.98,1183 5.982,1184 6.69,1185 1.48,1186 27.371,1187 5.975,1188 22.363,1189 1.598,1190 1.596,1191 1.721,1192 1.579,1193 1.577,1194 1.653,1195 0.134,1196 5.412,1197 1.544,1198 4.128,1199 4.163,1200 4.047,1201 4.061,1202 6.449,1203 4.053,1204 3.945,1205 3.989,1206 3.852,1207 3.859,1208 4.632,1209 3.852,1210 3.709,1211 3.776,1212 3.592,1213 3.57,1214 4.419,1215 3.567,1216 3.559,1217 3.638,1218 3.416,1219 3.377,1220 4.34,1221 3.375,1222 3.456,1223 3.526,1224 3.294,1225 3.32,1226 4.19,1227 3.303,1228 3.386,1229 3.47,1230 3.207,1231 3.2,1232 4.063,1233 3.187,1234 3.342,1235 3.416,1236 3.152,1237 3.186,1238 3.874,1239 3.172,1240 3.216,1241 3.315,1242 2.981,1243 3.022,1244 3.85,1245 2.998,1246 0.147,1247 0.118,1248 0.256,1249 0.146,1250 0.117,1251 4.993,1252 0.119,1253 4.023,1254 0.024,1255 8.704,1256 0.518,1257 4.98,1258 0.117,1259 3.982,1260 4.031,1261 0.8,1262 17.604,1263 3.975,1264 1.984,1265 1.954,1266 2.129,1267 2.083,1268 1.553,1269 2.101,1270 1.954,1271 1.914,1272 2.116,1273 2.06,1274 1.524,1275 2.081,1276 1.754,1277 1.702,1278 1.96,1279 1.935,1280 1.325,1281 1.947,1282 1.538,1283 1.474,1284 1.797,1285 1.756,1286 1.099,1287 1.775,1288 1.487,1289 1.424,1290 1.749,1291 1.696,1292 0.972,1293 1.715,1294 1.456,1295 1.376,1296 1.74,1297 1.645,1298 0.934,1299 1.682,1300 1.374,1301 1.291,1302 1.699,1303 1.588,1304 0.887,1305 1.631,1306 1.286,1307 1.204,1308 1.612,1309 1.49,1310 0.76,1311 1.537,1312 4.234,1314 5.68,1315 2.398,1316 7.327,1317 5.13,1318 9.076,1319 7.516,1320 10.88,1322 21.233,1327 11.345,1328 7.135,1332 2.433,1333 4.782,1334 0.629,1340 42.874,1341 93.315,1342 208.501,1343 338.376,1344 379.205,1345 401.205,1346 419.205,1347 72.875,1348 8.351,1349 26.71,1350 26.71,1351 24,1352 13.36,1353 1.585,1354 1.585,1355 49.218,1356 111,1357 106,1358 0.23,1359 261.512,1360 469.03,1361 629.85,1362 45784,1364 22.93,1365 0.74,1366 0.7,1367 22.93,1368 21.703,1369 14.342,1370 0.422,1371 0.375,1372 12.663,1373 14.043,1374 11.881,1375 9.959,1376 14.342,1377 12.757,1378 14.979,1379 0.267,1380 0.232,1381 14.979,1382 12.986,1383 12.967,1384 0.158,1385 0.134,1386 12.967,1387 10.986,1388 11.301,1389 0.099,1390 0.078,1391 11.301,1392 8.93,1393 8.447,1394 0.059,1395 0.044,1396 8.447,1397 6.236,1398 0.347,1399 88.117,1400 0.22,1401 27.951,1402 0.679,1403 180,1404 275.44,1405 185.601,1406 277.721,1407 390.72,1408 260,1409 228,1410 293.794,1411 234.656,1412 313.432,1413 462.49,1414 288,1415 4.526}
{0 CHEMBL1651047,1 1.097,2 10,3 5.966,4 35.596,5 132.558,6 5.292,8 4.384,9 4.54,10 3.664,11 3.912,12 5.131,13 3.811,14 5.06,15 5.298,16 4.132,17 4.438,18 5.647,19 4.317,20 5.448,21 5.664,22 4.414,23 4.833,24 6.086,25 4.679,26 5.848,27 6.131,28 4.4,29 5.023,30 6.42,31 4.802,32 5.949,33 6.273,34 4.236,35 4.991,36 6.466,37 4.724,38 5.846,39 6.196,40 4.009,41 4.805,42 6.303,43 4.519,44 5.544,45 5.876,46 3.901,47 4.587,48 6.04,49 4.333,50 5.411,51 5.725,52 3.763,53 4.472,54 5.928,55 4.216,56 0.104,57 1.09,58 20.457,59 8.446,60 10.426,61 12.412,62 0.22,63 1.921,64 37.18,65 14.843,66 12.689,67 22.051,68 0.266,69 2.843,70 54.813,71 23.475,72 22.62,73 34.001,74 0.381,75 3.701,76 74.255,77 31.209,78 37.94,79 45.508,80 0.394,81 3.738,82 76.901,83 32.362,84 42.889,85 47.166,86 0.348,87 3.186,88 66.59,89 27.825,90 35.334,91 40.657,92 0.253,93 2.47,94 50.788,95 21.561,96 26.839,97 31.328,98 0.241,99 2.225,100 45.591,101 18.821,102 23.747,103 27.637,104 87,105 54,106 0.172,107 0.383,108 0.646,109 0.743,110 0.787,111 0.823,112 3.442,113 1.151,114 -6.83,115 -6.64,116 -6.15,121 35.9,122 5,123 7,124 3,125 3,126 4,129 2,137 2,138 2,176 23,180 4,187 38,192 6,200 48,206 6,214 38,219 5,227 28,232 4,239 21,244 4,251 19,256 6,264 11,269 5,277 2,281 1230,282 18.989,283 18.989,284 18.989,285 18.989,286 18.989,287 18.546,288 25.662,289 10.165,290 19.207,291 16.116,292 16.116,293 16.116,294 16.116,295 16.116,296 15.404,297 36.389,298 4.616,299 16.434,300 5.188,301 3.847,302 2.165,303 1.549,304 1.267,305 1.036,306 4.123,312 1,313 637,314 4.583,317 47.93,318 107.543,319 53.134,321 79.27,323 182.905,325 1.533,326 13.07,329 0.75,330 0.83,331 0.83,332 0.5,333 0.5,334 0.83,335 1,336 0.75,337 61,338 300,339 4.97,340 3.994,341 8.683,342 4.958,343 3.958,344 4.012,345 0.8,346 17.446,347 3.956,348 4.611,349 3.702,350 7.77,351 4.576,352 3.583,353 3.69,354 0.8,355 14.122,356 3.558,357 4.072,358 3.12,359 6.944,360 3.929,361 2.943,362 3.268,363 0.68,364 11.014,365 2.907,366 3.789,367 2.913,368 6.201,369 3.607,370 2.633,371 2.842,373 8.748,374 2.567,375 3.505,376 2.706,377 6.066,378 3.368,379 2.406,380 2.579,382 8.021,383 2.315,384 3.337,385 2.438,386 5.657,387 3.214,388 2.242,389 2.349,391 7.025,392 2.174,393 3.206,394 2.281,395 5.326,396 3.029,397 2.038,398 2.22,400 6.177,401 2.014,402 2.608,403 1.75,404 4.842,405 2.566,406 1.597,407 1.604,409 4.387,410 1.544,411 2.573,412 1.639,413 4.476,414 2.526,415 1.539,416 1.568,418 4.077,419 1.516,420 2.249,421 1.318,422 4.148,423 2.194,424 1.216,425 1.238,427 3.05,428 1.186,429 1.997,430 1.053,431 3.768,432 1.849,433 0.86,434 0.908,436 2.117,437 0.85,438 1.726,439 0.857,440 3.552,441 1.648,442 0.666,443 0.691,445 1.595,446 0.653,447 1.3,448 0.501,449 3.386,450 1.283,451 0.293,452 0.294,454 0.805,455 0.29,456 1.207,457 0.103,458 3.206,459 0.996,465 0.879,466 0.007,467 3.068,468 0.842,469 -0.146,470 -0.151,472 -0.387,473 -0.144,474 14.8,475 0.493,476 1.327,477 0.044,478 21,479 0.7,480 3,481 0.1,482 18,483 0.6,484 53.855,485 1.795,486 36.2,487 0.464,488 10.737,489 0.358,490 2.443,491 0.081,492 11.488,493 0.383,494 0.304,495 0.101,496 0.291,501 1.11,502 1.508,503 1.207,504 1.349,505 1.612,506 1.294,507 1.707,508 0.884,509 0.998,510 0.855,511 0.814,512 0.888,513 1.082,514 1.304,515 1.259,516 1.302,517 1.064,518 1.291,519 1.05,520 1.187,521 1.19,522 1.207,523 1.081,524 1.205,525 0.842,526 1.023,527 1.023,528 1.047,529 1.068,530 1.044,531 0.75,532 0.858,533 0.864,534 0.876,535 0.803,536 0.875,537 0.659,538 0.92,539 0.884,540 0.929,541 0.902,542 0.919,543 0.897,544 1.137,545 1.072,546 1.123,547 0.946,548 1.109,549 9.5,550 0.192,551 7.778,552 4.854,553 3.067,554 1.806,555 0.991,556 0.825,557 0.453,558 0.339,559 9596,560 12248,561 1.966,562 61.5,563 26,564 16,569 6,572 1.733,573 1.739,574 3.257,575 -0.924,582 85.577,583 1.097,584 2.439,585 4.121,586 4.737,587 5.019,588 5.25,589 2.766,590 4.574,591 4.877,592 3.419,593 1487.28,594 8.533,595 18943.6,600 490.261,601 1.895,602 4.76,603 0.288,604 0.01,605 0.144,606 0.071,607 0.05,608 0.037,609 0.025,610 0.022,611 0.015,612 0.015,613 0.678,614 0.67,615 0.88,616 1.109,617 149.309,618 0.166,619 -0.121,620 0.079,621 -0.018,622 -0.237,623 0.019,624 -0.082,625 0.343,626 0.182,627 0.286,628 0.084,629 0.253,630 -0.076,631 -0.067,632 -0.092,633 -0.084,634 -0.024,635 -0.088,636 -0.102,637 -0.117,638 -0.145,639 -0.139,640 -0.072,641 -0.143,642 -0.033,643 -0.063,644 -0.061,645 -0.066,646 -0.078,647 -0.065,648 0.031,649 0.036,650 0.05,651 0.047,652 0.055,653 0.049,654 0.061,655 0.018,656 0.06,657 0.042,658 0.038,659 0.049,660 -0.004,661 -0.152,662 -0.089,663 -0.128,664 -0.006,665 -0.115,666 0.885,667 0.712,668 0.6,669 25.6,670 0.968,671 1.135,672 5.603,673 31.388,674 0.609,675 3.526,676 4.007,677 4.382,678 4.673,679 4.89,680 5.124,681 5.338,682 5.549,683 5.697,684 5.897,685 5.863,686 0.541,687 412.78,688 3.526,689 5.165,690 6.089,691 7.05,692 7.995,693 8.96,694 9.912,695 10.88,696 11.837,697 12.806,698 2.6,701 2,741 78,743 2,745 33,747 81,748 28,752 4,756 4,757 10,763 5,764 3,766 3,767 8,768 3,770 9,772 4,773 24,774 3,777 2,784 2,786 2,793 48,794 2,796 2,802 2,808 0.25,828 1,829 2,830 1,832 1,834 2,849 2,850 2,855 2,859 1,864 9,868 30,876 7,880 5,881 2,882 3,901 17.25,902 16.483,903 6.201,904 5.149,907 0.83,908 1.1,909 0.896,910 5.632,911 9.11,912 3.584,913 4.111,914 4.543,915 4.934,916 5.268,917 5.624,918 5.932,919 6.248,920 6.469,921 6.717,922 0.857,923 68,924 11.253,926 4.825,927 0.026,929 7.175,931 23.47,933 21.499,936 1.675,937 50.25,938 0.001,941 565.013,942 120.777,943 6.249,948 120.777,949 565.013,950 6.249,951 77.712,952 17.742,953 18.952,955 12.62,957 565.013,959 565.013,960 127.026,964 494.386,965 70.627,968 68.116,969 39.957,970 18.952,972 565.013,973 6.249,974 120.777,977 565.013,978 24.113,979 102.913,982 565.013,983 6.249,984 120.777,986 0.627,987 0.392,988 0.199,989 0.097,990 30,991 15,992 0.037,993 3,994 3,995 1.333,996 3.655,997 302.602,998 0.333,999 18,1000 139.207,1005 22.591,1006 7.479,1007 3.225,1009 6.249,1018 692.038,1019 35,1026 5.4,1028 3.486,1031 75.526,1032 88.546,1034 0.175,1035 0.388,1036 0.656,1037 0.754,1038 0.798,1039 0.835,1040 4.997,1041 1.597,1042 6.217,1043 6.177,1044 4.691,1045 4.796,1046 1.347,1047 7.272,1048 4.663,1049 6.246,1050 1.539,1051 7.96,1052 4.387,1053 4.844,1054 4.934,1055 0.57,1056 8.962,1057 4.809,1058 7.638,1059 1.216,1060 9.829,1061 4.077,1062 6.619,1063 6.817,1064 0.854,1065 12.148,1066 6.581,1067 9.064,1068 0.86,1069 11.776,1070 3.05,1071 7.54,1072 7.688,1073 0.479,1074 14.623,1075 7.502,1076 10.528,1077 0.666,1078 13.774,1079 2.117,1080 8.96,1081 9.197,1082 0.553,1083 17.519,1084 8.923,1085 12.017,1086 0.293,1087 15.807,1088 1.595,1089 10.157,1090 10.347,1091 0.346,1092 20.239,1093 10.122,1094 13.527,1096 17.865,1097 0.805,1098 11.503,1099 11.749,1100 0.357,1101 23.081,1102 11.469,1103 3.958,1104 -0.146,1105 19.943,1107 12.795,1108 13.015,1109 0.237,1110 25.881,1111 12.764,1112 3.583,1113 17.446,1114 22.036,1115 -0.387,1116 14.133,1117 14.386,1118 0.229,1119 28.719,1120 14.103,1121 2.943,1122 14.122,1123 24.14,1124 4.012,1125 15.462,1126 15.703,1127 0.158,1128 31.548,1129 15.432,1130 2.633,1131 11.014,1132 26.254,1133 3.69,1134 16.805,1135 17.066,1136 0.146,1137 34.391,1138 16.776,1139 2.406,1140 8.748,1141 28.375,1142 3.268,1143 18.149,1144 18.409,1145 0.104,1146 37.233,1147 18.121,1148 2.242,1149 8.021,1150 30.502,1151 2.842,1152 19.499,1153 19.773,1154 0.093,1155 40.08,1156 19.471,1157 2.038,1158 7.025,1159 32.634,1160 2.579,1161 20.851,1162 21.129,1163 0.068,1164 42.929,1165 20.824,1166 9480,1167 10726,1168 20.285,1169 47.524,1170 52.604,1171 52.512,1172 56.544,1173 51.993,1174 51.952,1175 54.525,1176 4.56,1177 177.169,1178 51.06,1179 5.97,1180 5.981,1181 7.934,1182 5.958,1183 5.958,1184 6.671,1185 1.48,1186 27.169,1187 5.956,1188 20.855,1189 1.594,1190 1.591,1191 1.713,1192 1.576,1193 1.574,1194 1.652,1195 0.138,1196 5.369,1197 1.547,1198 4.126,1199 4.163,1200 4.042,1201 4.062,1202 4.642,1203 4.053,1204 3.944,1205 3.99,1206 3.848,1207 3.86,1208 4.435,1209 3.851,1210 3.707,1211 3.776,1212 3.587,1213 3.571,1214 4.343,1215 3.565,1216 3.557,1217 3.638,1218 3.413,1219 3.377,1220 4.202,1221 3.374,1222 3.453,1223 3.525,1224 3.29,1225 3.32,1226 4.075,1227 3.302,1228 3.384,1229 3.469,1230 3.197,1231 3.2,1232 3.878,1233 3.183,1234 3.335,1235 3.413,1236 3.141,1237 3.186,1238 3.866,1239 3.172,1240 3.214,1241 3.315,1242 2.973,1243 3.022,1244 3.776,1245 2.997,1246 0.151,1247 0.121,1248 0.263,1249 0.15,1250 0.12,1251 4.97,1252 0.122,1253 3.994,1254 0.024,1255 8.683,1256 0.529,1257 4.958,1258 0.12,1259 3.958,1260 4.012,1261 0.8,1262 17.446,1263 3.956,1264 1.984,1265 1.954,1266 2.129,1267 2.083,1268 1.553,1269 2.101,1270 1.954,1271 1.914,1272 2.116,1273 2.06,1274 1.524,1275 2.081,1276 1.761,1277 1.703,1278 1.978,1279 1.934,1280 1.353,1281 1.953,1282 1.539,1283 1.474,1284 1.797,1285 1.756,1286 1.105,1287 1.775,1288 1.489,1289 1.424,1290 1.766,1291 1.689,1292 0.98,1293 1.721,1294 1.46,1295 1.376,1296 1.741,1297 1.644,1298 0.942,1299 1.682,1300 1.375,1301 1.291,1302 1.704,1303 1.586,1304 0.887,1305 1.632,1306 1.286,1307 1.204,1308 1.612,1309 1.49,1310 0.761,1311 1.537,1312 4.205,1314 5.645,1315 2.398,1316 7.29,1317 5.043,1318 9.034,1319 7.38,1320 10.834,1322 22.019,1328 9.466,1332 3.674,1333 4.963,1334 1.242,1340 42.159,1341 85.577,1342 190.203,1343 321.419,1344 369.467,1345 391.467,1346 409.467,1347 58.157,1348 8.28,1349 6.48,1350 6.48,1351 24,1352 13.285,1353 1.585,1354 1.585,1355 46.881,1356 107,1357 100,1358 0.228,1359 257.516,1360 460.24,1361 620.1,1362 42474,1364 22.06,1365 0.735,1366 0.713,1367 22.06,1368 21.386,1369 13.931,1370 0.422,1371 0.384,1372 12.589,1373 13.699,1374 11.795,1375 9.912,1376 13.931,1377 12.666,1378 14.417,1379 0.267,1380 0.238,1381 14.417,1382 12.834,1383 12.734,1384 0.161,1385 0.14,1386 12.734,1387 11.058,1388 10.593,1389 0.1,1390 0.083,1391 10.593,1392 8.819,1393 7.856,1394 0.06,1395 0.047,1396 7.856,1397 6.139,1398 0.344,1399 85.075,1400 0.222,1401 27.275,1402 0.669,1403 174,1404 237.29,1405 177.497,1406 244.453,1407 351.56,1408 230,1409 220,1410 271.521,1411 224.663,1412 292.02,1413 429.35,1414 268,1415 4.097}
{0 CHEMBL1651048,1 1.154,2 9.036,3 4.762,4 22.677,5 116.952,6 5.561,8 4.282,9 4.426,10 3.618,11 3.849,12 5.047,13 3.756,14 4.963,15 5.182,16 4.122,17 4.391,18 5.583,19 4.282,20 5.373,21 5.573,22 4.408,23 4.778,24 6.052,25 4.638,26 5.764,27 6.029,28 4.42,29 4.972,30 6.396,31 4.771,32 5.888,33 6.193,34 4.154,35 4.919,36 6.502,37 4.656,38 5.759,39 6.122,40 3.873,41 4.649,42 6.235,43 4.358,44 5.33,45 5.655,46 3.667,47 4.343,48 5.89,49 4.093,50 5.128,51 5.442,52 3.473,53 4.151,54 5.736,55 3.901,56 0.081,57 0.963,58 18.017,59 7.862,60 9.864,61 11.214,62 0.183,63 1.747,64 33.735,65 14.226,66 12.972,67 20.508,68 0.258,69 2.614,70 50.956,71 22.044,72 24.742,73 31.4,74 0.392,75 3.476,76 70.519,77 29.605,78 44.889,79 42.667,80 0.501,81 3.553,82 75.979,83 31.095,84 61.924,85 44.805,86 0.399,87 2.884,88 62.657,89 25.393,90 42.424,91 37.052,92 0.273,93 2.004,94 42.654,95 17.339,96 29.623,97 25.186,98 0.226,99 1.658,100 35.2,101 14.141,102 26.82,103 20.624,104 69,105 57,106 0.185,107 0.393,108 0.666,109 0.777,110 0.819,111 0.829,112 3.377,113 1.112,114 -6.43,115 -6.26,116 -5.81,121 37.7,122 5,123 8,124 2,125 5,126 2,129 1,137 1,138 1,158 1,176 24,180 4,187 40,192 7,200 50,206 7,214 42,219 6,227 27,232 5,239 19,244 4,251 15,256 5,264 8,269 4,277 4,281 956,282 17.939,283 17.939,284 17.939,285 17.939,286 17.939,287 17.438,288 14.598,289 9.23,290 18.012,291 15.561,292 15.561,293 15.561,294 15.561,295 15.561,296 14.959,297 18.634,298 4.053,299 15.657,300 4.955,301 3.66,302 1.961,303 1.269,304 1.004,305 0.946,306 4.063,311 1,312 1,313 554,314 4.637,315 18.487,317 42.762,318 129.141,319 44.775,321 68.945,322 142.356,323 155.007,325 1.469,326 18.834,329 0.75,330 0.83,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.78,337 57.5,338 253,339 5.239,340 4.277,341 9.044,342 5.234,343 4.234,344 4.264,345 1.277,346 19.51,347 4.234,348 4.919,349 4.043,350 8.633,351 4.879,352 3.878,353 4.021,354 0.8,355 17.265,356 3.882,357 4.443,358 3.51,359 7.745,360 4.428,361 3.436,362 3.455,364 13.922,365 3.408,366 3.868,367 3.309,368 6.944,369 3.684,370 2.679,371 3.028,373 10.694,374 2.692,375 3.412,376 2.73,377 6.381,378 3.297,379 2.344,380 2.465,382 8.522,383 2.272,384 3.347,385 2.564,386 5.796,387 3.237,388 2.202,389 2.348,391 7.017,392 2.236,393 3.065,394 2.074,395 5.641,396 3.035,397 2.042,398 2.066,400 6.737,401 2.022,402 2.729,403 1.716,404 4.979,405 2.603,406 1.613,407 1.687,409 4.544,410 1.595,411 2.501,412 1.559,413 4.502,414 2.255,415 1.271,416 1.43,418 3.316,419 1.248,420 2.213,421 1.302,422 4.052,423 2.109,424 1.1,425 1.196,427 2.651,428 1.106,429 1.721,430 0.834,431 4,432 1.666,433 0.662,434 0.689,436 1.57,437 0.664,438 1.313,439 0.687,440 3.669,441 1.297,442 0.306,443 0.307,445 0.879,446 0.303,447 0.977,448 0.342,449 3.642,450 0.974,451 -0.024,452 -0.024,454 -0.062,455 -0.024,456 0.944,457 0.152,458 3.48,459 0.848,460 -0.144,461 -0.145,463 -0.4,464 -0.142,465 0.837,466 -0.073,467 3.311,468 0.758,469 -0.251,470 -0.258,472 -0.5,473 -0.252,474 13.733,475 0.49,476 1.344,477 0.048,478 20,479 0.714,480 3,481 0.107,482 17,483 0.607,484 50.036,485 1.787,486 33.067,487 0.479,488 8.736,489 0.312,490 1.926,491 0.069,492 11.074,493 0.396,494 0.279,495 0.182,496 0.211,501 0.685,502 1.338,503 1.101,504 1.25,505 0.66,506 1.204,507 0.835,508 0.889,509 0.89,510 0.874,511 0.479,512 0.875,513 0.875,514 1.288,515 1.194,516 1.276,517 0.799,518 1.256,519 0.831,520 1.194,521 1.168,522 1.217,523 0.637,524 1.209,525 1.201,526 1.115,527 1.149,528 1.133,529 1.365,530 1.142,531 0.702,532 0.727,533 0.729,534 0.735,535 0.715,536 0.733,537 0.93,538 0.917,539 0.925,540 0.921,541 0.954,542 0.923,543 0.972,544 1.057,545 1.015,546 1.04,547 1.022,548 1.032,549 10.5,550 0.118,551 8.889,552 6.187,553 3.584,554 1.775,555 1.114,556 0.685,557 0.43,558 0.217,559 7872,560 11328,561 2.025,562 59.4,563 29,564 8,568 2,569 2,572 1.716,573 1.778,574 3.102,575 -0.919,582 79.617,583 1.154,584 2.449,585 4.147,586 4.84,587 5.104,588 5.162,589 2.727,590 4.495,591 4.777,592 3.233,593 1221.93,594 8.341,595 14380.4,600 421.488,601 1.963,602 4.648,603 0.328,604 0.011,605 0.165,606 0.091,607 0.057,608 0.042,609 0.033,610 0.024,611 0.02,612 0.013,613 0.783,614 0.67,615 0.75,616 0.96,617 134.187,618 0.051,619 -0.01,620 0.086,621 0.046,622 -0.052,623 0.063,624 0.014,625 0.311,626 0.218,627 0.276,628 0.055,629 0.264,630 -0.037,631 -0.091,632 -0.083,633 -0.089,634 -0.012,635 -0.089,636 -0.043,637 -0.124,638 -0.144,639 -0.156,640 0.043,641 -0.154,642 -0.099,643 -0.16,644 -0.173,645 -0.16,646 -0.112,647 -0.17,648 0.067,649 0.126,650 0.159,651 0.142,652 0.025,653 0.154,654 -0.006,655 0.012,656 0.021,657 0.02,658 -0.019,659 0.021,660 -0.007,661 -0.107,662 -0.054,663 -0.086,664 -0.039,665 -0.075,666 1.21,667 6.003,668 0.643,669 21.52,670 0.972,671 1.131,672 5.203,673 27.071,674 0.619,675 3.497,676 4.06,677 4.511,678 4.898,679 5.198,680 5.497,681 5.796,682 6.026,683 6.215,684 6.349,685 5.218,686 0.555,687 383.68,688 3.497,689 5.187,690 6.172,691 7.198,692 8.208,693 9.241,694 10.263,695 11.299,696 12.328,697 13.367,698 1.4,701 1,741 69,743 2,745 32,747 73,748 26,752 3,756 5,757 17,763 5,764 5,766 5,767 9,768 2,770 9,772 3,773 23,774 2,777 2,782 1,784 1,786 2,793 41,794 2,796 2,802 1,808 0.2,809 1,826 1,828 1,829 3,830 1,832 1,833 2,834 2,841 1,849 1,850 1,855 1,859 1,864 7,868 28,876 8,880 3,881 1,882 5,893 1.4,896 1,901 15.75,902 14.45,903 5.681,904 4.717,907 0.215,908 1.025,909 0.899,910 3.693,911 8.775,912 3.555,913 4.143,914 4.625,915 5.024,916 5.308,917 5.609,918 5.924,919 6.165,920 6.385,921 6.553,922 1,923 68,924 10.568,926 4.838,927 0.026,929 7.307,931 21.893,933 21.384,936 1.807,937 50.583,938 0.001,941 482.615,942 98.99,943 3.124,945 25.145,948 98.99,949 507.76,950 3.124,951 60.919,952 20.276,953 9.476,954 30.278,955 6.31,957 482.615,959 482.615,960 102.115,961 25.145,964 459.073,965 48.687,968 67.527,969 25.112,970 9.476,972 482.615,973 28.269,974 98.99,977 482.615,978 28.595,979 73.519,981 25.145,982 482.615,983 28.269,984 98.99,986 0.638,987 0.415,988 0.228,989 0.111,990 36,991 16,992 0.014,993 1,994 4,995 1.444,996 3.499,997 297.701,998 0.444,999 18,1000 130.606,1005 19.347,1006 5.344,1007 1.965,1009 28.269,1018 609.875,1019 34,1024 13.003,1026 2.158,1028 1.622,1031 67.101,1032 78.012,1034 0.189,1035 0.401,1036 0.679,1037 0.792,1038 0.836,1039 0.845,1040 5.03,1041 1.613,1042 6.347,1043 6.737,1044 4.745,1045 4.828,1046 1.653,1047 7.521,1048 4.738,1049 6.339,1050 1.271,1051 8.165,1052 4.544,1053 5.094,1054 5.165,1055 0.325,1056 9.471,1057 5.087,1058 7.8,1059 1.1,1060 10.111,1061 3.316,1062 6.858,1063 6.986,1064 1.915,1065 12.723,1066 6.85,1067 9.296,1068 0.662,1069 12.133,1070 2.651,1071 7.934,1072 8.043,1073 0.268,1074 15.374,1075 7.928,1076 10.83,1077 0.306,1078 14.201,1079 1.57,1080 9.393,1081 9.537,1082 2.299,1083 18.36,1084 9.386,1085 12.388,1086 -0.024,1087 16.3,1088 0.879,1089 10.696,1090 10.833,1091 0.188,1092 21.21,1093 10.691,1094 13.963,1095 -0.144,1096 18.419,1097 -0.062,1098 12.1,1099 12.257,1100 2.732,1101 24.15,1102 12.095,1103 4.234,1104 -0.251,1105 20.553,1106 -0.4,1107 13.473,1108 13.632,1109 0.125,1110 27.06,1111 13.469,1112 3.878,1113 19.51,1114 22.698,1115 -0.5,1116 14.874,1117 15.047,1118 3.189,1119 29.998,1120 14.871,1121 3.436,1122 17.265,1123 24.851,1124 4.264,1125 16.272,1126 16.451,1127 0.082,1128 32.931,1129 16.269,1130 2.679,1131 13.922,1132 27.01,1133 4.021,1134 17.679,1135 17.869,1136 3.66,1137 35.874,1138 17.677,1139 2.344,1140 10.694,1141 29.175,1142 3.455,1143 19.089,1144 19.286,1145 0.054,1146 38.818,1147 19.087,1148 2.202,1149 8.522,1150 31.343,1151 3.028,1152 20.502,1153 20.709,1154 4.139,1155 41.767,1156 20.501,1157 2.042,1158 7.017,1159 33.515,1160 2.465,1161 21.919,1162 22.133,1163 0.035,1164 44.718,1165 21.918,1166 7640,1167 9177,1168 19.761,1169 42.688,1170 52.038,1171 53.312,1172 57.436,1173 51.521,1174 51.534,1175 53.913,1176 4.155,1177 193.253,1178 51.326,1179 6.239,1180 6.277,1181 8.54,1182 6.234,1183 6.234,1184 6.66,1185 2.555,1186 29.868,1187 6.234,1188 18.482,1189 1.626,1190 1.666,1191 1.795,1192 1.61,1193 1.61,1194 1.685,1195 0.13,1196 6.039,1197 1.604,1198 4.21,1199 4.241,1200 4.137,1201 4.153,1202 7.427,1203 4.145,1204 3.942,1205 3.976,1206 3.868,1207 3.866,1208 4.593,1209 3.862,1210 3.718,1211 3.774,1212 3.611,1213 3.598,1214 4.416,1215 3.593,1216 3.486,1217 3.562,1218 3.314,1219 3.356,1220 4.265,1221 3.336,1222 3.431,1223 3.509,1224 3.267,1225 3.267,1226 4.09,1227 3.255,1228 3.355,1229 3.433,1230 3.169,1231 3.199,1232 3.994,1233 3.179,1234 3.303,1235 3.386,1236 3.096,1237 3.122,1238 3.838,1239 3.105,1240 3.167,1241 3.254,1242 2.956,1243 2.992,1244 3.73,1245 2.968,1246 0.164,1247 0.134,1248 0.283,1249 0.164,1250 0.132,1251 5.239,1252 0.133,1253 4.277,1254 0.04,1255 9.044,1256 0.61,1257 5.234,1258 0.132,1259 4.234,1260 4.264,1261 1.277,1262 19.51,1263 4.234,1264 2.009,1265 1.974,1266 2.163,1267 2.109,1268 1.645,1269 2.129,1270 1.881,1271 1.84,1272 2.055,1273 1.998,1274 1.48,1275 2.02,1276 1.689,1277 1.656,1278 1.874,1279 1.829,1280 1.156,1281 1.843,1282 1.511,1283 1.439,1284 1.783,1285 1.733,1286 1.028,1287 1.755,1288 1.406,1289 1.336,1290 1.712,1291 1.596,1292 0.983,1293 1.639,1294 1.372,1295 1.292,1296 1.695,1297 1.584,1298 0.937,1299 1.628,1300 1.363,1301 1.28,1302 1.673,1303 1.558,1304 0.848,1305 1.603,1306 1.201,1307 1.115,1308 1.56,1309 1.427,1310 0.741,1311 1.477,1312 4.174,1313 1.946,1314 5.68,1315 4.394,1316 7.415,1317 6.718,1318 9.263,1319 8.946,1320 11.172,1322 16.755,1328 10.395,1332 2.33,1333 2.501,1334 1.82,1340 38.272,1341 79.617,1342 168.96,1343 286.146,1344 333.939,1345 352.204,1346 356.204,1347 56.637,1348 8.56,1349 20.31,1350 20.31,1351 26,1352 13.806,1353 1.585,1354 1.585,1355 37.474,1356 89,1357 87,1358 0.226,1359 228.14,1360 411.07,1361 548.422,1362 54064,1364 20.328,1365 0.726,1366 0.69,1367 20.328,1368 19.322,1369 13,1370 0.406,1371 0.371,1372 11.813,1373 12.82,1374 11.138,1375 9.218,1376 13,1377 11.866,1378 13.913,1379 0.244,1380 0.22,1381 13.913,1382 12.563,1383 12.814,1384 0.142,1385 0.127,1386 12.814,1387 11.455,1388 11.832,1389 0.089,1390 0.077,1391 11.832,1392 10.196,1393 8.852,1394 0.049,1395 0.043,1396 8.852,1397 7.792,1398 0.334,1399 79.324,1400 0.225,1401 25.335,1402 0.692,1403 178,1404 263.381,1405 181.852,1406 264.832,1407 380.13,1408 248,1409 239,1410 295.397,1411 243.491,1412 311.445,1413 472.69,1414 290,1415 4.235}
{0 CHEMBL1651125,1 1.327,2 15.344,3 5.701,4 32.499,5 133.744,6 6.756,7 0.5,8 4.219,9 4.349,10 3.717,11 3.814,12 5.19,13 3.763,14 4.789,15 4.97,16 4.062,17 4.236,18 5.69,19 4.154,20 5.111,21 5.346,22 4.078,23 4.386,24 5.952,25 4.253,26 5.184,27 5.454,28 3.956,29 4.337,30 5.973,31 4.177,32 5.111,33 5.393,34 3.921,35 4.268,36 5.903,37 4.113,38 4.986,39 5.232,40 3.873,41 4.219,42 5.873,43 4.077,44 4.945,45 5.198,46 3.727,47 4.157,48 5.788,49 3.991,50 4.852,51 5.127,52 3.627,53 4.033,54 5.616,55 3.862,56 0.066,57 0.888,58 14.193,59 6.037,60 9.15,61 8.437,62 0.186,63 1.527,64 26.132,65 10.359,66 17.873,67 14.734,68 0.252,69 1.964,70 37.29,71 14.543,72 36.473,73 20.829,74 0.324,75 2.032,76 41.122,77 15.405,78 44.369,79 22.247,80 0.34,81 1.86,82 38.352,83 14.591,84 40.179,85 21.089,86 0.321,87 1.648,88 33.432,89 13.1,90 42.622,91 18.402,92 0.302,93 1.567,94 32.102,95 12.841,96 42.036,97 18.059,98 0.169,99 1.436,100 29.12,101 11.779,102 27.199,103 16.924,104 2,105 49,106 0.212,107 0.511,108 0.677,109 0.783,110 0.822,111 0.842,112 3.502,113 0.98,114 -6,115 -5.86,116 -5.45,121 44.4,123 4,124 1,127 3,130 1,144 13,145 3,146 2,159 1,176 19,180 5,184 1,185 4,187 19,192 6,197 8,200 12,206 5,211 6,214 8,219 4,222 1,224 3,227 16,235 1,237 2,239 20,243 1,244 2,249 2,251 16,256 4,261 3,264 10,269 4,274 2,277 9,281 1904,282 22.239,283 22.239,284 22.239,285 22.239,286 22.239,287 19.946,288 26.497,289 13.404,290 22.422,291 17.836,292 17.836,293 17.836,294 17.836,295 17.836,296 14.439,297 37.219,298 6.472,299 18.14,300 4.65,301 2.777,302 1.732,303 1.072,304 0.825,305 0.698,306 4.216,312 1,313 1099,314 3.162,317 81.903,318 443.207,321 145.938,325 2.49,326 18.968,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 66.5,338 491,339 4.388,340 3.608,341 6.403,342 4.062,343 3.094,344 4.001,345 1.277,346 9.988,347 3.008,348 4.069,349 3.35,350 6.059,351 3.782,352 2.779,353 3.543,354 1.063,355 8.74,356 2.778,357 3.941,358 3.017,359 5.815,360 3.682,361 2.715,362 3.457,363 0.916,364 7.898,365 2.628,366 3.84,367 2.747,368 5.615,369 3.501,370 2.504,371 3.231,372 0.247,373 7.777,374 2.494,375 3.595,376 2.556,377 5.328,378 3.426,379 2.426,380 2.634,381 0.172,382 6.937,383 2.421,384 3.184,385 2.225,386 4.955,387 3.027,388 2.072,389 2.307,391 5.867,392 1.968,393 3.101,394 1.979,395 4.449,396 2.727,397 1.743,398 2.238,400 4.383,401 1.711,402 2.878,403 1.773,404 4.402,405 2.495,406 1.528,407 2.016,409 4.329,410 1.476,411 2.858,412 1.672,413 4.137,414 2.451,415 1.446,416 1.96,418 3.627,419 1.449,420 2.795,421 1.52,422 3.592,423 2.393,424 1.389,425 1.844,427 3.038,428 1.391,429 2.5,430 1.14,431 3.485,432 2,433 1.024,434 1.5,436 2.558,437 1,438 2.5,439 1.087,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.351,448 1.077,449 3.247,450 1.996,451 1,452 1.311,454 2.136,455 0.993,456 2,457 1,458 3.247,459 1.984,460 1,461 1,463 2.136,464 0.983,465 1.771,466 1,467 3.19,468 1.615,469 0.605,470 0.674,472 1.425,473 0.607,474 15.533,475 0.485,476 0.602,477 0.019,478 40.5,479 1.266,480 20.5,481 0.641,482 20,483 0.625,484 28.124,485 0.879,486 33.667,487 0.534,488 28.148,489 0.88,490 7.687,491 0.24,492 8.055,493 0.252,494 0.021,496 0.283,501 0.813,502 1.193,503 0.883,504 1.017,505 0.589,506 0.961,507 0.96,508 1.164,509 1.038,510 1.08,511 0.622,512 1.06,513 1.049,514 1.169,515 1.073,516 1.119,517 0.9,518 1.1,519 1.192,520 1.043,521 1.036,522 1.011,523 1.158,524 1.011,525 0.959,526 0.853,527 0.87,528 0.855,529 0.993,530 0.854,531 1.315,532 0.928,533 1.056,534 0.99,535 1.685,536 1.007,537 1.207,538 0.979,539 1.111,540 1.053,541 1.628,542 1.081,543 0.685,544 1.028,545 0.923,546 1.046,547 0.712,548 1.011,549 5.5,550 0.164,551 2.889,552 1.354,553 1.423,554 0.82,555 0.499,556 0.404,557 0.23,558 0.152,559 18063,560 36759,561 2.194,562 49.2,563 3,564 19,565 1,567 2,568 2,569 4,572 1.737,573 2.133,574 3.886,575 0.084,582 83.628,583 1.327,584 3.2,585 4.245,586 4.906,587 5.152,588 5.279,589 3.367,590 4.5,591 4.969,592 4.063,593 2015.26,594 8.649,595 31619.2,600 376.569,601 1.043,602 4.964,603 0.153,604 0.007,605 0.059,606 0.029,607 0.036,608 0.02,609 0.013,610 0.013,611 0.008,612 0.006,613 0.342,614 0.33,615 0.75,616 0.313,617 173.133,618 -0.008,619 -0.039,620 0.06,621 0.026,622 -0.003,623 0.044,624 -0.016,625 -0.045,626 -0.072,627 -0.08,628 0.01,629 -0.08,630 -0.051,631 -0.151,632 -0.094,633 -0.134,634 0.019,635 -0.12,636 -0.063,637 -0.069,638 -0.037,639 -0.046,640 -0.038,641 -0.041,642 0.084,643 0.101,644 0.127,645 0.115,646 0.058,647 0.125,648 -0.027,649 0.041,650 -0.058,651 -0.001,652 -0.105,653 -0.027,654 -0.041,655 -0.031,656 -0.122,657 -0.057,658 -0.151,659 -0.093,660 0.072,661 -0.09,662 0.048,663 -0.052,664 0.066,665 -0.01,666 1.413,667 5.886,668 0.844,669 42.031,670 0.984,671 1.119,672 4.774,673 22.796,674 0.669,675 3.611,676 3.912,677 4.174,678 4.419,679 4.663,680 4.7,681 4.852,682 4.997,683 5.05,684 5.106,685 8.762,686 0.621,687 425.62,688 3.611,689 5.142,690 5.984,691 6.845,692 7.702,693 8.568,694 9.433,695 10.303,696 11.173,697 12.046,698 4.8,701 1,703 2,715 13,720 5,722 18,727 1,734 2,741 63,743 19,744 3,745 36,747 67,748 28,749 18,750 5,751 13,752 1,756 5,757 6,767 2,768 1,770 4,772 19,773 9,774 1,777 1,782 1,786 1,793 31,794 4,795 2,796 4,802 3,808 0.8,809 1,828 1,829 4,832 1,855 1,859 4,868 32,876 7,877 2,880 2,881 1,893 1.6,896 1,901 15,902 10.867,903 7,904 4.008,907 2.987,908 1.364,909 1.01,910 6.45,911 11.191,912 3.85,913 4.376,914 4.881,915 5.367,916 5.874,917 5.939,918 6.272,919 6.579,920 6.872,921 7.164,922 1,923 47,924 11.905,926 5.101,927 0.026,929 7.474,931 23.637,933 20.239,936 1.974,937 63.167,941 341.362,942 159.85,943 39.146,945 25.145,948 159.85,949 366.507,950 39.146,952 16.455,953 123.191,954 66.3,955 18.195,956 11.771,957 329.591,959 341.362,960 198.996,961 25.145,964 294.278,965 72.229,968 19.58,969 143.395,970 36.022,972 341.362,973 64.291,974 159.85,977 341.362,978 36.659,979 126.316,980 36.022,981 25.145,982 341.362,983 64.291,984 159.85,986 0.575,987 0.33,988 0.176,989 0.099,990 24,991 9,992 0.104,993 7,994 1,995 1.074,996 4.632,997 283.763,998 0.074,999 27,1000 148,1005 21.087,1006 9.788,1007 5.184,1009 64.291,1010 27.022,1015 5.457,1017 36.022,1018 565.503,1019 46,1024 12.886,1028 0.254,1031 62.003,1032 70.517,1034 0.222,1035 0.535,1036 0.71,1037 0.821,1038 0.862,1039 0.883,1040 5.078,1041 1.528,1042 5.938,1043 4.383,1044 4.595,1045 5.063,1046 2.056,1047 6.696,1048 4.561,1049 6.234,1050 1.446,1051 7.456,1052 4.329,1053 4.007,1054 4.59,1055 0.711,1056 7.445,1057 3.956,1058 7.502,1059 1.389,1060 9.072,1061 3.627,1062 6.138,1063 7.109,1064 2.189,1065 10.529,1066 6.067,1067 8.799,1068 1.024,1069 10.745,1070 3.038,1071 6.399,1072 7.462,1073 0.954,1074 12.123,1075 6.307,1076 10.13,1077 1,1078 12.457,1079 2.558,1080 7.946,1081 9.438,1082 2.484,1083 14.681,1084 7.837,1085 11.483,1086 1,1087 14.194,1088 2.275,1089 8.613,1090 10.201,1091 1.062,1092 16.634,1093 8.479,1094 12.854,1095 1,1096 15.949,1097 2.136,1098 9.903,1099 11.917,1100 2.858,1101 19.004,1102 9.752,1103 3.094,1104 0.605,1105 17.719,1106 2.136,1107 10.779,1108 12.911,1109 1.132,1110 21.124,1111 10.599,1112 2.779,1113 9.988,1114 19.498,1115 1.425,1116 11.953,1117 14.482,1118 3.276,1119 23.427,1120 11.754,1121 2.715,1122 8.74,1123 21.286,1124 4.001,1125 12.937,1126 15.616,1127 1.193,1128 25.628,1129 12.707,1130 2.504,1131 7.898,1132 23.081,1133 3.543,1134 14.062,1135 17.102,1136 3.719,1137 27.909,1138 13.809,1139 2.426,1140 7.777,1141 24.882,1142 3.457,1143 15.102,1144 18.325,1145 1.255,1146 30.151,1147 14.819,1148 2.072,1149 6.937,1150 26.687,1151 3.231,1152 16.209,1153 19.762,1154 4.179,1155 32.43,1156 15.9,1157 1.743,1158 5.867,1159 28.497,1160 2.634,1161 17.28,1162 21.041,1163 1.321,1164 34.694,1165 16.94,1166 16457,1167 23609,1168 25.137,1169 42.131,1170 53.89,1171 54.646,1172 53.799,1173 53.464,1174 53.46,1175 67.387,1176 7.352,1177 148.316,1178 52.596,1179 5.388,1180 5.608,1181 6.205,1182 5.097,1183 5.094,1184 7.001,1185 2.555,1186 16.618,1187 5.008,1188 7.305,1189 1.497,1190 1.518,1191 1.494,1192 1.485,1193 1.485,1194 1.872,1195 0.204,1196 4.12,1197 1.461,1198 4.051,1199 4.09,1200 3.996,1201 3.958,1202 7.427,1203 3.962,1204 3.947,1205 3.993,1206 3.862,1207 3.862,1208 4.848,1209 3.857,1210 3.863,1211 3.894,1212 3.793,1213 3.805,1214 4.753,1215 3.798,1216 3.814,1217 3.857,1218 3.705,1219 3.717,1220 4.684,1221 3.707,1222 3.549,1223 3.603,1224 3.456,1225 3.374,1226 4.319,1227 3.385,1228 3.318,1229 3.389,1230 3.191,1231 3.146,1232 4.125,1233 3.15,1234 3.158,1235 3.225,1236 3.022,1237 3.007,1238 3.893,1239 3,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.736,1245 2.91,1246 0.122,1247 0.1,1248 0.178,1249 0.113,1250 0.086,1251 4.388,1252 0.111,1253 3.608,1254 0.035,1255 6.403,1256 0.277,1257 4.062,1258 0.084,1259 3.094,1260 4.001,1261 1.277,1262 9.988,1263 3.008,1264 1.941,1265 1.905,1266 2.105,1267 2.072,1268 1.484,1269 2.086,1270 1.907,1271 1.881,1272 2.029,1273 1.995,1274 1.178,1275 2.008,1276 1.905,1277 1.877,1278 2.023,1279 1.994,1280 1.142,1281 2.002,1282 1.823,1283 1.776,1284 1.969,1285 1.937,1286 1.116,1287 1.954,1288 1.48,1289 1.424,1290 1.717,1291 1.677,1292 0.973,1293 1.692,1294 1.297,1295 1.224,1296 1.513,1297 1.553,1298 0.825,1299 1.544,1300 1.195,1301 1.136,1302 1.497,1303 1.403,1304 0.684,1305 1.429,1306 1.153,1307 1.064,1308 1.455,1309 1.376,1310 0.654,1311 1.42,1312 4.29,1314 5.595,1315 2.398,1316 7.091,1317 4.727,1318 8.666,1319 6.843,1320 10.282,1328 7.299,1329 7.002,1332 0.709,1333 2.538,1340 39.154,1341 83.628,1342 201.602,1343 267.443,1344 309.059,1345 324.569,1346 332.569,1347 48.206,1348 8.205,1349 44.37,1350 44.37,1351 29,1352 12.588,1353 4.322,1354 3.459,1355 46.174,1356 169,1357 164,1358 0.129,1359 237.494,1360 413.85,1361 571.246,1362 51127,1364 21.753,1365 0.68,1366 0.577,1367 21.753,1368 18.465,1369 15.742,1370 0.437,1371 0.327,1372 11.678,1373 15.452,1374 11.432,1375 9.45,1376 15.742,1377 11.76,1378 13.904,1379 0.284,1380 0.185,1381 13.904,1382 9.06,1383 11.901,1384 0.186,1385 0.106,1386 11.901,1387 6.81,1388 9.728,1389 0.119,1390 0.059,1391 9.728,1392 4.877,1393 8.15,1394 0.078,1395 0.034,1396 8.15,1397 3.599,1398 0.212,1399 96.46,1400 0.199,1401 30.899,1402 0.329,1403 170,1404 372.046,1405 178.348,1406 372.632,1407 521.05,1408 352,1409 198,1410 386.693,1411 207.348,1412 397.868,1413 580.55,1414 377,1415 7.48}
{0 CHEMBL1651126,1 1.272,2 13.321,3 4.55,4 20.704,5 117.133,6 6.276,7 0.387,8 4.15,9 4.286,10 3.58,11 3.729,12 5.042,13 3.66,14 4.753,15 4.955,16 3.896,17 4.158,18 5.561,19 4.051,20 5.101,21 5.347,22 3.99,23 4.364,24 5.871,25 4.213,26 5.193,27 5.474,28 3.804,29 4.317,30 5.913,31 4.12,32 5.081,33 5.38,34 3.732,35 4.18,36 5.792,37 3.993,38 4.912,39 5.175,40 3.651,41 4.064,42 5.754,43 3.898,44 4.831,45 5.087,46 3.554,47 3.993,48 5.672,49 3.822,50 4.782,51 5.064,52 3.391,53 3.918,54 5.481,55 3.72,56 0.066,57 0.833,58 14.393,59 6.128,60 7.434,61 8.711,62 0.173,63 1.434,64 26.511,65 10.411,66 15.598,67 15.155,68 0.239,69 1.882,70 37.262,71 14.917,72 31.363,73 21.521,74 0.29,75 1.946,76 40.749,77 15.938,78 37.797,79 23.098,80 0.254,81 1.707,82 36.315,83 14.15,84 31.043,85 20.546,86 0.309,87 1.452,88 31.1,89 11.983,90 38.69,91 17.05,92 0.291,93 1.337,94 28.685,95 11.183,96 35.91,97 15.812,98 0.19,99 1.277,100 26.861,101 10.739,102 26.063,103 15.451,104 2,105 41,106 0.208,107 0.492,108 0.711,109 0.835,110 0.85,111 0.85,112 3.374,113 1.055,114 -5.23,115 -5.12,116 -4.79,121 41.7,123 6,124 1,127 5,144 8,145 4,159 1,176 18,180 5,185 2,187 20,192 6,197 3,200 15,206 6,211 2,214 10,219 5,224 1,227 13,232 1,235 1,237 1,239 15,243 1,244 2,249 1,251 14,256 2,261 1,264 9,269 3,274 2,277 7,281 1240,282 19.43,283 19.43,284 19.43,285 19.43,286 19.43,287 17.863,288 24.069,289 11.851,290 19.572,291 15.348,292 15.348,293 15.348,294 15.348,295 15.348,296 12.944,297 28.666,298 5.706,299 15.55,300 4.635,301 2.893,302 1.55,303 0.792,304 0.7,305 0.7,306 4.079,311 1,312 1,313 821,314 3,318 270.879,319 97.751,323 147.718,325 2.179,326 16.674,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 58,338 373,339 4.331,340 3.607,341 6.248,342 3.978,343 2.972,344 3.973,345 1.277,346 9.413,347 2.99,348 3.942,349 3.085,350 5.898,351 3.698,352 2.73,353 3.457,354 0.916,355 8.153,356 2.668,357 3.894,358 3.017,359 5.616,360 3.605,361 2.594,362 3.236,363 0.657,364 7.783,365 2.6,366 3.595,367 2.557,368 5.329,369 3.446,370 2.445,371 2.634,372 0.172,373 6.937,374 2.445,375 3.178,376 2.226,377 4.955,378 3.027,379 2.072,380 2.25,382 5.867,383 1.969,384 2.948,385 2.049,386 4.469,387 2.666,388 1.685,389 2.083,391 4.509,392 1.661,393 2.89,394 1.991,395 4.168,396 2.626,397 1.646,398 1.976,400 3.801,401 1.603,402 2.808,403 1.692,404 3.716,405 2.433,406 1.436,407 1.867,409 3.253,410 1.43,411 2.609,412 1.52,413 3.592,414 2.375,415 1.37,416 1.609,418 3.037,419 1.371,420 2.5,421 1.09,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.072,430 1.077,431 3.271,432 1.984,433 1,434 1.014,436 2.136,437 0.983,438 2,439 1,440 3.247,441 1.846,442 0.869,443 1,445 1.962,446 0.847,447 1.754,448 0.96,449 3.098,450 1.585,451 0.563,452 0.631,454 1.308,455 0.572,456 1.216,457 0.376,458 2.772,459 1.038,460 0.056,461 0.062,463 0.139,464 0.055,465 1.079,466 0.167,467 2.448,468 0.836,469 -0.15,470 -0.167,472 -0.349,473 -0.147,474 13.633,475 0.487,476 0.482,477 0.017,478 30.5,479 1.089,480 13.5,481 0.482,482 17,483 0.607,484 27.516,485 0.983,486 30.767,487 0.513,488 19.674,489 0.703,490 5.532,491 0.198,492 8.244,493 0.294,494 0.024,496 0.249,501 0.75,502 1.263,503 0.963,504 1.118,505 0.543,506 1.062,507 1.046,508 1.109,509 1.101,510 1.069,511 0.617,512 1.074,513 0.965,514 1.108,515 1.051,516 1.093,517 0.856,518 1.079,519 1.067,520 1.062,521 1.065,522 1.073,523 1.098,524 1.071,525 0.938,526 0.899,527 0.866,528 0.899,529 1.029,530 0.88,531 1.487,532 0.965,533 1.071,534 1.003,535 1.92,536 1.015,537 1.56,538 1.013,539 1.133,540 1.056,541 2.127,542 1.074,543 1.055,544 1.012,545 1.039,546 1.031,547 1.235,548 1.039,549 4.5,550 0.098,551 2.444,552 1,553 1.197,554 0.691,555 0.368,556 0.276,557 0.175,558 0.113,559 11970,560 22273,561 2.159,562 53.3,563 5,564 18,567 1,568 2,569 6,572 1.702,573 2.1,574 3.697,575 -0.465,582 76.317,583 1.272,584 3.014,585 4.357,586 5.115,587 5.207,588 5.207,589 3.146,590 4.379,591 4.779,592 3.878,593 1466.05,594 8.264,595 20627.5,597 1,600 354.413,601 1.018,602 4.772,603 0.145,604 0.005,605 0.06,606 0.023,607 0.036,608 0.022,609 0.013,610 0.011,611 0.008,612 0.005,613 0.327,614 0.5,615 1,616 0.343,617 144.599,618 0.019,619 -0.053,620 0.061,621 0.013,622 0.028,623 0.035,624 -0.103,625 0.033,626 -0.083,627 -0.028,628 -0.004,629 -0.046,630 -0.035,631 -0.08,632 -0.061,633 -0.079,634 0.023,635 -0.073,636 -0.05,637 -0.101,638 -0.086,639 -0.099,640 -0.037,641 -0.096,642 0.044,643 0.036,644 0.108,645 0.061,646 0.005,647 0.086,648 -0.002,649 -0.001,650 -0.058,651 -0.025,652 -0.095,653 -0.044,654 -0.032,655 -0.051,656 -0.119,657 -0.068,658 -0.169,659 -0.098,660 -0.066,661 -0.067,662 -0.066,663 -0.049,664 -0.108,665 -0.058,666 1.348,667 5.734,668 0.821,669 30.898,670 0.98,671 1.124,672 3.996,673 15.965,674 0.648,675 3.466,676 3.738,677 3.97,678 4.174,679 4.419,680 4.443,681 4.477,682 4.554,683 4.625,684 4.691,685 7.821,686 0.594,687 376.59,688 3.466,689 4.977,690 5.802,691 6.645,692 7.484,693 8.331,694 9.174,695 10.023,696 10.87,697 11.72,698 3.3,700 1,701 1,715 8,720 4,722 12,727 1,741 60,743 13,744 2,745 31,747 63,748 25,749 12,750 4,751 8,752 1,756 4,757 5,767 4,768 1,770 6,772 13,773 12,774 1,777 1,782 1,786 1,790 1,793 32,794 3,795 1,796 3,802 2,808 0.75,809 1,829 3,830 1,834 1,853 1,855 1,859 3,868 28,876 11,877 1,880 1,881 1,893 1.7,896 1,901 13.333,902 10.367,903 6.222,904 4.022,907 2.012,908 1.265,909 0.987,910 6.564,911 9.597,912 3.664,913 4.143,914 4.615,915 5.063,916 5.549,917 5.587,918 5.754,919 5.814,920 5.936,921 6.084,922 0.889,923 43,924 10.463,926 4.412,927 0.026,929 7.417,931 21.095,933 18.028,936 1.917,937 53.667,939 1,940 1,941 364.904,942 119.421,943 21.135,945 25.145,948 119.421,949 390.049,950 21.135,952 25.736,953 93.821,954 30.278,955 15.867,957 364.904,959 364.904,960 140.557,961 25.145,964 294.278,965 95.772,968 46.871,969 93.686,972 364.904,973 46.28,974 119.421,977 364.904,978 43.611,979 78.934,980 18.011,981 25.145,982 364.904,983 46.28,984 119.421,986 0.568,987 0.325,988 0.171,989 0.098,990 19,991 7,992 0.095,993 6,994 1,995 1.087,996 4.222,997 230.255,998 0.087,999 23,1000 126.606,1005 19.359,1006 9.494,1007 5.317,1009 46.28,1010 17.096,1015 5.03,1017 18.011,1018 530.606,1019 38,1024 12.734,1028 0.318,1031 58.785,1032 67.434,1034 0.215,1035 0.51,1036 0.738,1037 0.866,1038 0.881,1039 0.881,1040 4.883,1041 1.436,1042 5.74,1043 3.801,1044 4.419,1045 4.828,1046 1.892,1047 6.463,1048 4.398,1049 6.015,1050 1.37,1051 7.238,1052 3.253,1053 3.761,1054 4.369,1055 0.325,1056 7.154,1057 3.751,1058 7.271,1059 1,1060 8.833,1061 3.037,1062 5.927,1063 6.838,1064 2.036,1065 10.217,1066 5.892,1067 8.557,1068 1,1069 10.487,1070 2.275,1071 6.111,1072 7.231,1073 0.393,1074 11.75,1075 6.099,1076 9.878,1077 0.869,1078 12.179,1079 2.136,1080 7.683,1081 9.157,1082 2.357,1083 14.279,1084 7.646,1085 11.222,1086 0.563,1087 13.897,1088 1.962,1089 8.285,1090 9.966,1091 0.384,1092 16.171,1093 8.271,1094 12.584,1095 0.056,1096 15.634,1097 1.308,1098 9.582,1099 11.643,1100 2.76,1101 18.502,1102 9.551,1103 2.972,1104 -0.15,1105 17.385,1106 0.139,1107 10.402,1108 12.678,1109 0.351,1110 20.561,1111 10.39,1112 2.73,1113 9.413,1114 19.145,1115 -0.349,1116 11.568,1117 14.222,1118 3.204,1119 22.817,1120 11.547,1121 2.594,1122 8.153,1123 20.914,1124 3.973,1125 12.503,1126 15.388,1127 0.312,1128 24.958,1129 12.497,1130 2.445,1131 7.783,1132 22.69,1133 3.457,1134 13.609,1135 16.858,1136 3.668,1137 27.188,1138 13.599,1139 2.072,1140 6.937,1141 24.471,1142 3.236,1143 14.604,1144 18.104,1145 0.273,1146 29.369,1147 14.607,1148 1.685,1149 5.867,1150 26.257,1151 2.634,1152 15.683,1153 19.531,1154 4.143,1155 31.593,1156 15.687,1157 1.646,1158 4.509,1159 28.047,1160 2.25,1161 16.712,1162 20.826,1163 0.236,1164 33.797,1165 16.726,1166 11100,1167 15219,1168 21.553,1169 38.887,1170 45.168,1171 46.061,1172 45.519,1173 44.884,1174 44.875,1175 54.583,1176 6.047,1177 121.144,1178 44.389,1179 5.331,1180 5.607,1181 6.05,1182 5.013,1183 4.972,1184 6.973,1185 2.555,1186 15.785,1187 4.99,1188 6.667,1189 1.457,1190 1.486,1191 1.468,1192 1.448,1193 1.448,1194 1.761,1195 0.195,1196 3.908,1197 1.432,1198 4.027,1199 4.062,1200 3.958,1201 3.955,1202 7.427,1203 3.952,1204 3.941,1205 3.983,1206 3.859,1207 3.862,1208 4.76,1209 3.856,1210 3.825,1211 3.872,1212 3.71,1213 3.725,1214 4.696,1215 3.714,1216 3.63,1217 3.685,1218 3.515,1219 3.478,1220 4.317,1221 3.477,1222 3.44,1223 3.51,1224 3.293,1225 3.278,1226 4.213,1227 3.271,1228 3.232,1229 3.32,1230 3.082,1231 3.049,1232 3.901,1233 3.043,1234 3.201,1235 3.262,1236 3.043,1237 3.043,1238 3.799,1239 3.037,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.674,1245 2.91,1246 0.14,1247 0.116,1248 0.202,1249 0.128,1250 0.096,1251 4.331,1252 0.128,1253 3.607,1254 0.041,1255 6.248,1256 0.304,1257 3.978,1258 0.096,1259 2.972,1260 3.973,1261 1.277,1262 9.413,1263 2.99,1264 1.966,1265 1.943,1266 2.108,1267 2.075,1268 1.485,1269 2.089,1270 1.929,1271 1.894,1272 2.056,1273 2.026,1274 1.302,1275 2.037,1276 1.834,1277 1.786,1278 2.008,1279 1.946,1280 1.174,1281 1.97,1282 1.628,1283 1.558,1284 1.88,1285 1.841,1286 1.141,1287 1.86,1288 1.507,1289 1.45,1290 1.739,1291 1.706,1292 1.008,1293 1.719,1294 1.263,1295 1.199,1296 1.513,1297 1.467,1298 0.825,1299 1.485,1300 1.153,1301 1.064,1302 1.508,1303 1.376,1304 0.717,1305 1.429,1306 1.134,1307 1.063,1308 1.43,1309 1.337,1310 0.632,1311 1.374,1312 4.143,1314 5.425,1316 6.895,1317 2.708,1318 8.447,1319 5.094,1320 10.041,1328 11.788,1329 3.459,1332 0.693,1333 2.549,1340 35.66,1341 76.317,1342 180.862,1343 261.394,1344 306.904,1345 312.413,1346 312.413,1347 44.529,1348 7.584,1349 32.34,1350 32.34,1351 25,1352 12.278,1353 3.807,1354 3,1355 42.859,1356 134,1357 122,1358 0.154,1359 218.098,1360 382.13,1361 523.92,1362 23826,1364 19.184,1365 0.685,1366 0.601,1367 19.184,1368 16.83,1369 13.776,1370 0.444,1371 0.352,1372 10.828,1373 13.53,1374 10.582,1375 8.746,1376 13.776,1377 10.898,1378 11.912,1379 0.291,1380 0.206,1381 11.912,1382 8.431,1383 10.023,1384 0.193,1385 0.123,1386 10.023,1387 6.379,1388 7.988,1389 0.125,1390 0.072,1391 7.988,1392 4.589,1393 6.75,1394 0.082,1395 0.042,1396 6.75,1397 3.472,1398 0.252,1399 84.346,1400 0.215,1401 27.574,1402 0.394,1403 144,1404 299.714,1405 149.573,1406 298.38,1407 411.44,1408 282,1409 165,1410 295.876,1411 171.157,1412 305.753,1413 442.93,1414 289,1415 7.64}
{0 CHEMBL1651127,1 1.272,2 13.321,3 4.415,4 19.494,5 117.287,6 6.276,7 0.387,8 4.15,9 4.286,10 3.58,11 3.729,12 5.042,13 3.66,14 4.753,15 4.955,16 3.896,17 4.158,18 5.561,19 4.051,20 5.102,21 5.349,22 3.987,23 4.365,24 5.872,25 4.215,26 5.186,27 5.463,28 3.805,29 4.324,30 5.905,31 4.125,32 5.099,33 5.402,34 3.733,35 4.184,36 5.803,37 3.996,38 4.904,39 5.165,40 3.645,41 4.065,42 5.729,43 3.9,44 4.84,45 5.094,46 3.563,47 3.998,48 5.712,49 3.825,50 4.787,51 5.073,52 3.388,53 3.921,54 5.461,55 3.718,56 0.066,57 0.833,58 14.393,59 6.128,60 7.434,61 8.711,62 0.173,63 1.434,64 26.511,65 10.411,66 15.432,67 15.155,68 0.247,69 1.884,70 37.329,71 14.857,72 31.885,73 21.459,74 0.269,75 1.932,76 40.355,77 16.153,78 36.654,79 23.254,80 0.264,81 1.731,82 36.965,83 14.276,84 31.877,85 20.794,86 0.252,87 1.441,88 30.773,89 11.975,90 33.102,91 16.969,92 0.348,93 1.341,94 29.029,95 11.347,96 42.939,97 15.983,98 0.18,99 1.283,100 26.891,101 10.83,102 24.023,103 15.63,104 2,105 41,106 0.208,107 0.49,108 0.69,109 0.802,110 0.822,111 0.839,112 3.374,113 1.055,114 -5.23,115 -5.12,116 -4.79,121 41.7,123 6,124 1,127 5,144 8,145 4,159 1,176 18,180 5,185 2,187 21,192 6,197 2,200 16,206 6,211 2,214 9,219 6,224 2,227 13,232 1,239 16,243 1,244 1,247 1,249 1,251 14,256 2,261 1,264 10,269 3,274 1,277 6,281 1240,282 19.43,283 19.43,284 19.43,285 19.43,286 19.43,287 17.863,288 22.237,289 11.851,290 19.58,291 15.348,292 15.348,293 15.348,294 15.348,295 15.348,296 12.944,297 23.476,298 5.706,299 15.556,300 4.635,301 2.905,302 1.675,303 0.992,304 0.867,305 0.767,306 4.079,311 1,312 1,313 821,314 3,318 270.879,319 97.751,323 147.718,325 2.179,326 16.699,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 58,338 373,339 4.331,340 3.607,341 6.248,342 3.978,343 2.972,344 3.973,345 1.277,346 9.413,347 2.993,348 3.942,349 3.075,350 5.898,351 3.698,352 2.73,353 3.457,354 0.916,355 8.153,356 2.67,357 3.894,358 3.017,359 5.616,360 3.605,361 2.594,362 3.236,363 0.4,364 7.783,365 2.601,366 3.595,367 2.557,368 5.329,369 3.446,370 2.445,371 2.634,372 0.172,373 6.937,374 2.446,375 3.178,376 2.226,377 4.955,378 3.027,379 2.072,380 2.25,382 5.867,383 1.969,384 2.948,385 2.034,386 4.469,387 2.678,388 1.685,389 2.083,391 4.509,392 1.674,393 2.89,394 1.968,395 4.168,396 2.611,397 1.646,398 1.976,400 3.801,401 1.587,402 2.808,403 1.773,404 3.716,405 2.429,406 1.436,407 1.867,409 3.253,410 1.423,411 2.609,412 1.52,413 3.592,414 2.369,415 1.37,416 1.609,418 3.037,419 1.361,420 2.5,421 1.09,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.072,430 1.077,431 3.271,432 1.984,433 1,434 1.014,436 2.136,437 0.983,438 2,439 1,440 3.247,441 1.86,442 0.869,443 1,445 1.962,446 0.86,447 1.754,448 0.934,449 3.098,450 1.585,451 0.563,452 0.631,454 1.308,455 0.572,456 1.216,457 0.376,458 2.772,459 1.038,460 0.056,461 0.062,463 0.139,464 0.055,465 1.079,466 0.168,467 2.448,468 0.837,469 -0.15,470 -0.167,472 -0.349,473 -0.147,474 13.633,475 0.487,476 0.482,477 0.017,478 30.5,479 1.089,480 13.5,481 0.482,482 17,483 0.607,484 27.542,485 0.984,486 30.767,487 0.513,488 19.649,489 0.702,490 5.557,491 0.198,492 8.219,493 0.294,494 0.024,496 0.249,501 0.75,502 1.263,503 0.963,504 1.118,505 0.543,506 1.062,507 1.046,508 1.109,509 1.101,510 1.069,511 0.619,512 1.074,513 1.011,514 1.067,515 1.059,516 1.067,517 0.873,518 1.064,519 0.988,520 1.104,521 1.069,522 1.118,523 1.081,524 1.107,525 0.953,526 0.874,527 0.855,528 0.873,529 1.017,530 0.858,531 1.567,532 0.984,533 1.08,534 1.021,535 1.984,536 1.024,537 1.53,538 1.017,539 1.138,540 1.064,541 2.231,542 1.088,543 0.901,544 1.004,545 1.003,546 1.022,547 1.018,548 1.025,549 4.5,550 0.098,551 2.444,552 1,553 1.197,554 0.691,555 0.368,556 0.276,557 0.175,558 0.113,559 11970,560 22393,561 2.159,562 53.3,563 3,564 18,567 1,568 2,569 8,572 1.702,573 2.1,574 3.697,575 -0.465,577 1,582 76.317,583 1.272,584 3.002,585 4.231,586 4.915,587 5.04,588 5.14,589 3.146,590 4.379,591 4.779,592 3.878,593 1466.05,594 8.264,595 20627.5,597 1,600 354.413,601 1.018,602 4.772,603 0.145,604 0.005,605 0.06,606 0.023,607 0.036,608 0.022,609 0.013,610 0.011,611 0.008,612 0.005,613 0.327,614 0.5,615 1,616 0.343,617 144.599,618 0.019,619 -0.053,620 0.061,621 0.013,622 0.028,623 0.035,624 -0.103,625 0.033,626 -0.083,627 -0.028,628 -0.006,629 -0.046,630 -0.058,631 -0.035,632 -0.067,633 -0.057,634 0.012,635 -0.061,636 -0.031,637 -0.148,638 -0.096,639 -0.132,640 -0.029,641 -0.122,642 0.041,643 0.059,644 0.119,645 0.081,646 0.007,647 0.103,648 -0.104,649 -0.021,650 -0.069,651 -0.037,652 -0.155,653 -0.049,654 0.073,655 -0.063,656 -0.12,657 -0.074,658 -0.121,659 -0.111,660 -0.034,661 -0.061,662 -0.039,663 -0.041,664 -0.074,665 -0.042,666 1.341,667 5.739,668 0.821,669 30.898,670 0.98,671 1.124,672 3.996,673 15.965,674 0.648,675 3.466,676 3.738,677 3.97,678 4.174,679 4.419,680 4.443,681 4.477,682 4.554,683 4.625,684 4.691,685 7.821,686 0.594,687 376.59,688 3.466,689 4.977,690 5.802,691 6.645,692 7.484,693 8.331,694 9.174,695 10.023,696 10.87,697 11.72,698 3.3,700 1,701 1,715 8,720 4,722 12,727 1,741 60,743 13,744 2,745 31,747 63,748 25,749 12,750 4,751 8,752 1,756 4,757 5,767 4,768 1,770 6,772 13,773 12,774 1,777 1,782 1,786 1,790 1,793 32,794 3,795 1,796 3,802 2,808 0.75,809 1,829 3,830 1,834 1,853 1,855 1,859 3,868 28,876 11,877 1,880 1,881 1,893 1.7,896 1,901 13.333,902 10.367,903 6.222,904 4.022,907 2.012,908 1.265,909 0.987,910 6.564,911 9.597,912 3.664,913 4.143,914 4.615,915 5.063,916 5.549,917 5.587,918 5.754,919 5.814,920 5.936,921 6.084,922 0.889,923 43,924 10.463,926 4.412,927 0.026,929 7.417,931 21.095,933 18.028,936 1.917,937 53.667,939 1,940 1,941 364.904,942 119.421,943 21.135,945 25.145,948 119.421,949 390.049,950 21.135,952 25.736,953 93.821,954 30.278,955 15.867,957 364.904,959 364.904,960 140.557,961 25.145,964 270.735,965 119.314,968 46.871,969 93.686,972 364.904,973 46.28,974 119.421,977 364.904,978 43.611,979 78.934,980 18.011,981 25.145,982 364.904,983 46.28,984 119.421,986 0.568,987 0.325,988 0.171,989 0.098,990 19,991 7,992 0.095,993 6,994 1,995 1.087,996 4.222,997 230.255,998 0.087,999 23,1000 122.606,1005 19.359,1006 9.494,1007 5.317,1009 46.28,1010 17.121,1015 5.092,1017 18.011,1018 530.606,1019 38,1024 12.739,1028 0.326,1031 58.785,1032 67.434,1034 0.215,1035 0.508,1036 0.716,1037 0.832,1038 0.853,1039 0.87,1040 4.883,1041 1.436,1042 5.74,1043 3.801,1044 4.419,1045 4.828,1046 1.806,1047 6.463,1048 4.398,1049 6.015,1050 1.37,1051 7.238,1052 3.253,1053 3.761,1054 4.369,1055 0.325,1056 7.154,1057 3.751,1058 7.271,1059 1,1060 8.833,1061 3.037,1062 5.927,1063 6.838,1064 1.993,1065 10.217,1066 5.893,1067 8.557,1068 1,1069 10.487,1070 2.275,1071 6.111,1072 7.231,1073 0.393,1074 11.75,1075 6.101,1076 9.878,1077 0.869,1078 12.179,1079 2.136,1080 7.683,1081 9.157,1082 2.342,1083 14.279,1084 7.649,1085 11.222,1086 0.563,1087 13.897,1088 1.962,1089 8.285,1090 9.966,1091 0.384,1092 16.171,1093 8.275,1094 12.584,1095 0.056,1096 15.634,1097 1.308,1098 9.582,1099 11.643,1100 2.756,1101 18.502,1102 9.556,1103 2.972,1104 -0.15,1105 17.385,1106 0.139,1107 10.402,1108 12.678,1109 0.351,1110 20.561,1111 10.396,1112 2.73,1113 9.413,1114 19.145,1115 -0.349,1116 11.568,1117 14.222,1118 3.203,1119 22.817,1120 11.553,1121 2.594,1122 8.153,1123 20.914,1124 3.973,1125 12.503,1126 15.388,1127 0.312,1128 24.958,1129 12.505,1130 2.445,1131 7.783,1132 22.69,1133 3.457,1134 13.609,1135 16.858,1136 3.667,1137 27.188,1138 13.607,1139 2.072,1140 6.937,1141 24.471,1142 3.236,1143 14.604,1144 18.104,1145 0.273,1146 29.369,1147 14.616,1148 1.685,1149 5.867,1150 26.257,1151 2.634,1152 15.683,1153 19.531,1154 4.143,1155 31.593,1156 15.697,1157 1.646,1158 4.509,1159 28.047,1160 2.25,1161 16.712,1162 20.826,1163 0.236,1164 33.797,1165 16.737,1166 11100,1167 15257,1168 21.553,1169 38.887,1170 45.168,1171 46.075,1172 45.519,1173 44.889,1174 44.875,1175 54.583,1176 5.533,1177 121.144,1178 44.385,1179 5.331,1180 5.607,1181 6.05,1182 5.014,1183 4.972,1184 6.973,1185 2.555,1186 15.785,1187 4.993,1188 6.667,1189 1.457,1190 1.486,1191 1.468,1192 1.448,1193 1.448,1194 1.761,1195 0.178,1196 3.908,1197 1.432,1198 4.028,1199 4.063,1200 3.959,1201 3.958,1202 7.427,1203 3.954,1204 3.941,1205 3.983,1206 3.859,1207 3.863,1208 4.759,1209 3.857,1210 3.825,1211 3.872,1212 3.71,1213 3.725,1214 4.692,1215 3.714,1216 3.623,1217 3.679,1218 3.512,1219 3.459,1220 4.317,1221 3.463,1222 3.43,1223 3.504,1224 3.286,1225 3.254,1226 4.232,1227 3.251,1228 3.275,1229 3.352,1230 3.097,1231 3.139,1232 3.899,1233 3.116,1234 3.193,1235 3.257,1236 3.047,1237 3.026,1238 3.775,1239 3.022,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.674,1245 2.91,1246 0.14,1247 0.116,1248 0.202,1249 0.128,1250 0.096,1251 4.331,1252 0.128,1253 3.607,1254 0.041,1255 6.248,1256 0.304,1257 3.978,1258 0.097,1259 2.972,1260 3.973,1261 1.277,1262 9.413,1263 2.993,1264 1.969,1265 1.947,1266 2.109,1267 2.075,1268 1.485,1269 2.089,1270 1.93,1271 1.894,1272 2.06,1273 2.027,1274 1.298,1275 2.039,1276 1.834,1277 1.786,1278 2.009,1279 1.946,1280 1.165,1281 1.97,1282 1.597,1283 1.519,1284 1.853,1285 1.833,1286 1.128,1287 1.846,1288 1.521,1289 1.471,1290 1.75,1291 1.709,1292 1.022,1293 1.724,1294 1.292,1295 1.228,1296 1.552,1297 1.478,1298 0.825,1299 1.505,1300 1.153,1301 1.078,1302 1.513,1303 1.376,1304 0.777,1305 1.429,1306 1.147,1307 1.064,1308 1.441,1309 1.345,1310 0.666,1311 1.383,1312 4.143,1314 5.425,1316 6.895,1317 2.708,1318 8.447,1319 5.094,1320 10.041,1328 11.704,1329 3.441,1332 0.695,1333 2.55,1340 35.66,1341 76.317,1342 180.107,1343 253.884,1344 294.904,1345 302.413,1346 308.413,1347 44.549,1348 7.584,1349 32.34,1350 32.34,1351 25,1352 12.278,1353 3.807,1354 3,1355 42.859,1356 134,1357 122,1358 0.154,1359 218.098,1360 382.13,1361 523.92,1362 23826,1364 19.184,1365 0.685,1366 0.601,1367 19.184,1368 16.83,1369 13.776,1370 0.444,1371 0.352,1372 10.828,1373 13.527,1374 10.585,1375 8.736,1376 13.776,1377 10.898,1378 11.912,1379 0.291,1380 0.205,1381 11.912,1382 8.4,1383 10.023,1384 0.193,1385 0.123,1386 10.023,1387 6.406,1388 7.988,1389 0.125,1390 0.072,1391 7.988,1392 4.601,1393 6.75,1394 0.082,1395 0.042,1396 6.75,1397 3.474,1398 0.252,1399 84.346,1400 0.215,1401 27.574,1402 0.394,1403 144,1404 299.714,1405 149.573,1406 298.205,1407 411.36,1408 282,1409 165,1410 295.876,1411 170.99,1412 305.275,1413 442.11,1414 289,1415 7.6}
{0 CHEMBL1651128,1 1.354,2 13.321,3 3.822,4 14.604,5 113.717,6 6.527,7 0.387,8 4.13,9 4.258,10 3.594,11 3.683,12 5.063,13 3.632,14 4.726,15 4.918,16 3.91,17 4.098,18 5.588,19 4.013,20 5.058,21 5.291,22 4.007,23 4.292,24 5.892,25 4.165,26 5.128,27 5.397,28 3.798,29 4.244,30 5.889,31 4.069,32 5.014,33 5.3,34 3.735,35 4.137,36 5.761,37 3.965,38 4.903,39 5.164,40 3.667,41 4.037,42 5.797,43 3.877,44 4.803,45 5.059,46 3.554,47 3.954,48 5.637,49 3.792,50 4.744,51 5.015,52 3.398,53 3.872,54 5.48,55 3.689,56 0.054,57 0.806,58 13.664,59 5.83,60 6.392,61 8.074,62 0.197,63 1.365,64 25.657,65 9.712,66 17.144,67 13.827,68 0.333,69 1.759,70 36.125,71 13.767,72 36.328,73 19.551,74 0.345,75 1.788,76 38.965,77 14.66,78 40.865,79 21.005,80 0.249,81 1.606,82 34.492,83 13.187,84 30.129,85 19.161,86 0.431,87 1.419,88 31.267,89 11.705,90 50.81,91 16.67,92 0.301,93 1.288,94 28.123,95 10.749,96 34.092,97 15.184,98 0.226,99 1.213,100 26.361,101 10.121,102 29.068,103 14.49,104 2,105 41,106 0.222,107 0.527,108 0.742,109 0.841,110 0.849,111 0.849,112 3.374,113 1.02,114 -4.48,115 -4.41,116 -4.15,121 41.4,123 4,124 1,127 6,144 8,145 3,146 1,159 1,176 14,180 7,185 1,187 15,192 8,195 1,197 1,200 10,206 7,211 2,214 7,219 4,224 1,227 11,231 1,232 1,235 1,237 1,239 13,243 1,244 2,249 1,251 11,256 3,261 1,264 5,269 5,274 2,277 4,281 1240,282 19.43,283 19.43,284 19.43,285 19.43,286 19.43,287 17.863,288 24.136,289 11.851,290 19.705,291 15.348,292 15.348,293 15.348,294 15.348,295 15.348,296 12.944,297 29.497,298 5.706,299 15.765,300 4.504,301 2.651,302 1.341,303 0.737,304 0.69,305 0.69,306 4.079,311 1,312 1,313 821,314 3,318 270.879,319 97.751,323 147.718,325 2.179,326 19.951,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 59,338 373,339 4.331,340 3.608,341 6.248,342 3.963,343 2.972,344 3.973,345 1.277,346 9.413,347 2.956,348 3.942,349 3.155,350 5.898,351 3.696,352 2.73,353 3.457,354 0.916,355 8.153,356 2.645,357 3.894,358 3.017,359 5.616,360 3.589,361 2.594,362 3.236,363 0.86,364 7.783,365 2.565,366 3.595,367 2.557,368 5.329,369 3.443,370 2.445,371 2.634,372 0.657,373 6.937,374 2.439,375 3.178,376 2.232,377 4.955,378 3.026,379 2.072,380 2.25,381 0.172,382 5.867,383 1.968,384 2.948,385 2.204,386 4.469,387 2.633,388 1.685,389 2.083,391 4.509,392 1.599,393 2.89,394 2.025,395 4.168,396 2.589,397 1.646,398 1.976,400 3.801,401 1.54,402 2.808,403 1.768,404 3.716,405 2.43,406 1.436,407 1.867,409 3.253,410 1.423,411 2.609,412 1.52,413 3.592,414 2.371,415 1.37,416 1.609,418 3.037,419 1.363,420 2.5,421 1.111,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.072,430 1.084,431 3.271,432 1.984,433 1,434 1.014,436 2.136,437 0.983,438 2,439 1.077,440 3.247,441 1.807,442 0.869,443 1,445 1.962,446 0.809,447 1.754,448 1,449 3.098,450 1.582,451 0.563,452 0.631,454 1.308,455 0.57,456 1.216,457 0.378,458 2.772,459 1.037,460 0.056,461 0.062,463 0.139,464 0.055,465 1.079,466 0.217,467 2.448,468 0.794,469 -0.15,470 -0.167,472 -0.349,473 -0.139,474 13.467,475 0.481,476 0.482,477 0.017,478 31.5,479 1.125,480 14,481 0.5,482 17.5,483 0.625,484 26.183,485 0.935,486 30.933,487 0.533,488 21.008,489 0.75,490 5.95,491 0.212,492 7.826,493 0.28,494 0.025,496 0.252,501 0.779,502 1.304,503 0.909,504 1.15,505 0.567,506 1.055,507 1.143,508 1.107,509 1.079,510 1.058,511 0.683,512 1.048,513 1.044,514 1.084,515 1.043,516 1.08,517 0.896,518 1.064,519 1.088,520 1.034,521 1.066,522 1.043,523 1.139,524 1.055,525 0.713,526 0.955,527 0.878,528 0.96,529 0.99,530 0.938,531 0.985,532 0.95,533 1.022,534 0.996,535 1.656,536 1.014,537 1.116,538 0.999,539 1.073,540 1.045,541 1.656,542 1.06,543 0.991,544 1.015,545 1.051,546 1.035,547 1.235,548 1.053,549 4.5,550 0.098,551 2.444,552 1,553 1.197,554 0.691,555 0.368,556 0.276,557 0.175,558 0.113,559 11970,560 24717,561 2.159,562 51.7,563 3,564 20,567 1,568 2,569 4,572 1.702,573 2.1,574 3.697,575 -0.429,577 1,582 78.517,583 1.354,584 3.207,585 4.517,586 5.121,587 5.168,588 5.168,589 3.146,590 4.379,591 4.779,592 3.878,593 1466.05,594 8.264,595 20627.5,597 1,599 1,600 339.763,601 1.018,602 4.772,603 0.145,604 0.005,605 0.06,606 0.023,607 0.036,608 0.022,609 0.013,610 0.011,611 0.008,612 0.005,613 0.327,614 0.33,615 1,616 0.343,617 144.599,618 0.011,619 -0.094,620 0.066,621 -0.021,622 0.02,623 0.02,624 -0.113,625 0.031,626 -0.08,627 -0.027,628 -0.014,629 -0.042,630 -0.002,631 -0.059,632 -0.054,633 -0.074,634 0.032,635 -0.07,636 -0.083,637 -0.082,638 -0.085,639 -0.066,640 -0.058,641 -0.076,642 0.034,643 -0.005,644 0.081,645 0.015,646 -0.002,647 0.049,648 0.133,649 0.007,650 -0.03,651 -0.017,652 0.01,653 -0.038,654 -0.018,655 -0.042,656 -0.085,657 -0.055,658 -0.131,659 -0.076,660 -0.075,661 -0.069,662 -0.081,663 -0.052,664 -0.129,665 -0.067,666 1.404,667 5.693,668 0.821,669 30.898,670 0.987,671 1.125,672 3.248,673 10.55,674 0.648,675 3.466,676 3.738,677 3.97,678 4.174,679 4.419,680 4.443,681 4.477,682 4.554,683 4.625,684 4.691,685 7.821,686 0.601,687 378.56,688 3.466,689 4.977,690 5.802,691 6.645,692 7.484,693 8.331,694 9.174,695 10.023,696 10.87,697 11.72,698 3.4,700 1,701 1,715 8,720 4,722 12,727 1,739 1,741 58,743 13,744 2,745 31,747 61,748 24,749 12,750 4,751 8,752 1,756 4,757 5,767 2,768 1,770 4,772 13,773 11,774 1,777 1,782 1,786 1,790 1,793 30,794 4,795 1,796 4,802 2,808 0.75,809 2,829 3,830 1,834 1,853 1,855 1,859 3,868 28,876 10,877 1,878 1,880 1,881 1,893 3.4,896 1,898 1,901 13.333,902 10.033,903 6.222,904 3.772,907 2.012,908 1.265,909 0.982,910 6.533,911 9.597,912 3.664,913 4.143,914 4.615,915 5.063,916 5.549,917 5.587,918 5.754,919 5.814,920 5.936,921 6.084,922 0.889,923 43,924 10.446,926 4.406,927 0.026,929 7.488,931 20.813,933 17.58,936 1.988,937 55.667,939 1,940 1,941 341.362,942 121.003,943 21.135,945 36.145,948 121.003,949 377.507,950 21.135,952 25.259,953 93.821,954 30.278,955 28.924,957 341.362,959 341.362,960 142.138,961 36.145,964 294.278,965 83.229,968 46.394,969 95.744,972 341.362,973 57.28,974 121.003,977 341.362,978 45.193,979 78.934,980 18.011,981 36.145,982 341.362,983 57.28,984 121.003,986 0.568,987 0.325,988 0.171,989 0.098,990 19,991 7,992 0.098,993 6,994 1,995 1.087,996 4.222,997 230.255,998 0.087,999 23,1000 126.606,1005 19.322,1006 9.467,1007 5.299,1009 57.28,1010 16.583,1015 4.218,1017 18.011,1018 519.644,1019 38,1024 12.693,1028 0.263,1031 57.229,1032 65.228,1034 0.231,1035 0.547,1036 0.771,1037 0.874,1038 0.882,1039 0.882,1040 4.883,1041 1.436,1042 5.74,1043 3.801,1044 4.419,1045 4.828,1046 2.093,1047 6.463,1048 4.374,1049 6.015,1050 1.37,1051 7.238,1052 3.253,1053 3.761,1054 4.369,1055 0.325,1056 7.154,1057 3.723,1058 7.271,1059 1,1060 8.833,1061 3.037,1062 5.927,1063 6.838,1064 2.169,1065 10.217,1066 5.849,1067 8.557,1068 1,1069 10.487,1070 2.275,1071 6.111,1072 7.231,1073 0.393,1074 11.75,1075 6.048,1076 9.878,1077 0.869,1078 12.179,1079 2.136,1080 7.683,1081 9.157,1082 2.431,1083 14.279,1084 7.585,1085 11.222,1086 0.563,1087 13.897,1088 1.962,1089 8.285,1090 9.966,1091 0.384,1092 16.171,1093 8.198,1094 12.584,1095 0.056,1096 15.634,1097 1.308,1098 9.582,1099 11.643,1100 2.798,1101 18.502,1102 9.47,1103 2.972,1104 -0.15,1105 17.385,1106 0.139,1107 10.402,1108 12.678,1109 0.351,1110 20.561,1111 10.295,1112 2.73,1113 9.413,1114 19.145,1115 -0.349,1116 11.568,1117 14.222,1118 3.222,1119 22.817,1120 11.444,1121 2.594,1122 8.153,1123 20.914,1124 3.973,1125 12.503,1126 15.388,1127 0.312,1128 24.958,1129 12.379,1130 2.445,1131 7.783,1132 22.69,1133 3.457,1134 13.609,1135 16.858,1136 3.676,1137 27.188,1138 13.472,1139 2.072,1140 6.937,1141 24.471,1142 3.236,1143 14.604,1144 18.104,1145 0.273,1146 29.369,1147 14.466,1148 1.685,1149 5.867,1150 26.257,1151 2.634,1152 15.683,1153 19.531,1154 4.147,1155 31.593,1156 15.537,1157 1.646,1158 4.509,1159 28.047,1160 2.25,1161 16.712,1162 20.826,1163 0.236,1164 33.797,1165 16.562,1166 11100,1167 16059,1168 21.553,1169 37.58,1170 45.168,1171 46.101,1172 45.519,1173 44.932,1174 44.875,1175 54.583,1176 7.767,1177 121.144,1178 43.826,1179 5.331,1180 5.608,1181 6.05,1182 5.009,1183 4.972,1184 6.973,1185 2.555,1186 15.785,1187 4.956,1188 6.667,1189 1.457,1190 1.487,1191 1.468,1192 1.449,1193 1.448,1194 1.761,1195 0.251,1196 3.908,1197 1.414,1198 4.011,1199 4.045,1200 3.946,1201 3.923,1202 7.427,1203 3.924,1204 3.934,1205 3.97,1206 3.857,1207 3.857,1208 4.837,1209 3.852,1210 3.823,1211 3.869,1212 3.708,1213 3.719,1214 4.754,1215 3.709,1216 3.606,1217 3.662,1218 3.497,1219 3.416,1220 4.325,1221 3.426,1222 3.438,1223 3.509,1224 3.291,1225 3.265,1226 4.296,1227 3.261,1228 3.202,1229 3.262,1230 3.076,1231 3.043,1232 4.091,1233 3.04,1234 3.147,1235 3.217,1236 2.983,1237 2.958,1238 3.894,1239 2.95,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.674,1245 2.91,1246 0.14,1247 0.116,1248 0.202,1249 0.128,1250 0.096,1251 4.331,1252 0.128,1253 3.608,1254 0.041,1255 6.248,1256 0.304,1257 3.963,1258 0.095,1259 2.972,1260 3.973,1261 1.277,1262 9.413,1263 2.956,1264 1.947,1265 1.921,1266 2.106,1267 2.073,1268 1.485,1269 2.087,1270 1.92,1271 1.891,1272 2.031,1273 2.013,1274 1.202,1275 2.018,1276 1.829,1277 1.782,1278 1.992,1279 1.943,1280 1.153,1281 1.964,1282 1.542,1283 1.467,1284 1.8,1285 1.804,1286 1.045,1287 1.807,1288 1.491,1289 1.441,1290 1.726,1291 1.693,1292 0.992,1293 1.704,1294 1.224,1295 1.168,1296 1.513,1297 1.438,1298 0.825,1299 1.45,1300 1.153,1301 1.064,1302 1.473,1303 1.376,1304 0.7,1305 1.429,1306 1.111,1307 1.041,1308 1.413,1309 1.32,1310 0.615,1311 1.356,1312 4.143,1314 5.425,1316 6.895,1317 2.708,1318 8.447,1319 5.094,1320 10.041,1328 9.661,1329 3.334,1330 5.712,1332 0.668,1333 2.535,1340 34.848,1341 78.517,1342 186.014,1343 261.988,1344 297.008,1345 299.763,1346 299.763,1347 44.98,1348 7.584,1349 41.57,1350 41.57,1351 25,1352 12.278,1353 3.807,1354 3,1355 42.859,1356 134,1357 122,1358 0.154,1359 212.502,1360 373.62,1361 510.266,1362 23826,1364 19.184,1365 0.685,1366 0.59,1367 19.184,1368 16.531,1369 13.776,1370 0.444,1371 0.34,1372 10.434,1373 13.399,1374 10.218,1375 8.421,1376 13.776,1377 10.537,1378 11.912,1379 0.291,1380 0.195,1381 11.912,1382 8.015,1383 10.023,1384 0.193,1385 0.115,1386 10.023,1387 5.97,1388 7.988,1389 0.125,1390 0.066,1391 7.988,1392 4.242,1393 6.75,1394 0.082,1395 0.039,1396 6.75,1397 3.185,1398 0.252,1399 85.254,1400 0.215,1401 27.574,1402 0.394,1403 144,1404 343.449,1405 153.116,1406 331.741,1407 454.4,1408 314,1409 165,1410 325.33,1411 174.866,1412 331.297,1413 481.89,1414 313,1415 7.4}
{0 CHEMBL1651129,1 1.35,2 13.467,3 4.208,4 17.706,5 120.528,6 6.71,7 0.353,8 4.172,9 4.296,10 3.668,11 3.763,12 5.108,13 3.711,14 4.788,15 4.975,16 4.044,17 4.215,18 5.659,19 4.132,20 5.116,21 5.345,22 4.096,23 4.388,24 5.982,25 4.264,26 5.186,27 5.445,28 3.975,29 4.356,30 6.002,31 4.2,32 5.098,33 5.363,34 3.866,35 4.235,36 5.941,37 4.076,38 4.986,39 5.242,40 3.751,41 4.108,42 5.91,43 3.959,44 4.865,45 5.117,46 3.632,47 4.028,48 5.817,49 3.863,50 4.802,51 5.078,52 3.493,53 3.954,54 5.518,55 3.773,56 0.044,57 0.837,58 13.64,59 6.07,60 5.271,61 8.342,62 0.21,63 1.486,64 26.464,65 10.55,66 14.741,67 14.958,68 0.278,69 1.916,70 37.748,71 14.801,72 37.765,73 20.853,74 0.332,75 1.964,76 41.14,77 15.911,78 44.941,79 22.515,80 0.282,81 1.763,82 37.755,83 14.708,84 39.077,85 20.733,86 0.401,87 1.542,88 34.286,89 12.818,90 55.29,91 17.744,92 0.403,93 1.396,94 29.963,95 11.69,96 66.905,97 16.4,98 0.207,99 1.321,100 27.925,101 11.109,102 29.95,103 15.853,104 5,105 48,106 0.219,107 0.512,108 0.731,109 0.831,110 0.844,111 0.844,112 3.44,113 1.008,114 -5.22,115 -5.11,116 -4.78,121 43.3,123 7,124 1,127 4,144 7,145 4,146 1,159 1,160 1,176 17,179 1,180 10,187 18,192 10,200 15,206 10,214 13,219 9,227 14,231 1,232 2,239 16,243 2,244 3,251 14,256 4,264 10,269 6,277 6,281 1458,282 20.67,283 20.67,284 20.67,285 20.67,286 20.67,287 18.998,288 26.466,289 12.212,290 20.821,291 16.826,292 16.826,293 16.826,294 16.826,295 16.826,296 14.131,297 31.899,298 5.864,299 17.05,300 4.557,301 2.748,302 1.399,303 0.779,304 0.7,305 0.7,306 4.154,311 1,312 1,313 912,314 3.24,317 62.374,318 357.132,321 227.545,322 127.961,323 142.505,325 2.169,326 24.871,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 63,338 404,339 4.585,340 3.862,341 6.936,342 4.273,343 3.297,344 4.219,345 2.015,346 11.718,347 3.222,348 4.046,349 3.601,350 6.056,351 3.771,352 2.766,353 3.457,354 1.277,355 8.701,356 2.786,357 3.94,358 3.045,359 5.626,360 3.676,361 2.705,362 3.392,363 0.916,364 7.788,365 2.623,366 3.627,367 3.017,368 5.609,369 3.462,370 2.463,371 2.845,372 0.625,373 7.169,374 2.459,375 3.574,376 2.557,377 5.329,378 3.285,379 2.274,380 2.634,381 0.172,382 6.922,383 2.292,384 3.306,385 2.37,386 5.218,387 3.046,388 2.082,389 2.507,390 0.111,391 6.23,392 2.012,393 3.169,394 2.226,395 4.955,396 2.987,397 2.004,398 2.242,400 5.863,401 1.949,402 2.86,403 2.148,404 4.495,405 2.464,406 1.45,407 1.953,409 4.115,410 1.463,411 2.801,412 1.706,413 4.111,414 2.407,415 1.405,416 1.84,418 3.432,419 1.403,420 2.512,421 1.52,422 3.686,423 2.282,424 1.281,425 1.5,427 3.037,428 1.278,429 2.5,430 1.342,431 3.592,432 2.153,433 1.166,434 1.477,436 2.802,437 1.147,438 2.24,439 1.088,440 3.414,441 2,442 1,443 1.222,445 2.275,446 1,447 2,448 1.077,449 3.247,450 1.984,451 1,452 1,454 2.136,455 0.983,456 1.752,457 1,458 3.119,459 1.577,460 0.552,461 0.622,463 1.294,464 0.562,465 1.241,466 0.686,467 2.825,468 1.032,469 0.047,470 0.052,472 0.116,473 0.046,474 14.467,475 0.482,476 0.674,477 0.022,478 34.5,479 1.15,480 15.5,481 0.517,482 19,483 0.633,484 29.729,485 0.991,486 32.333,487 0.539,488 23.141,489 0.771,490 6.147,491 0.205,492 8.522,493 0.284,494 0.046,496 0.332,501 0.606,502 1.282,503 0.856,504 1.098,505 0.469,506 1.015,507 0.75,508 1.111,509 0.972,510 1.028,511 0.512,512 1.012,513 0.997,514 1.088,515 1.049,516 1.074,517 0.888,518 1.064,519 1.015,520 0.993,521 1.021,522 1.016,523 0.997,524 1.018,525 0.972,526 1.011,527 0.966,528 1.041,529 1.059,530 1.01,531 1.452,532 0.907,533 1.062,534 0.947,535 1.725,536 0.971,537 0.937,538 0.999,539 1.067,540 1.053,541 1.085,542 1.076,543 0.769,544 0.97,545 0.965,546 0.992,547 0.793,548 1,549 5.5,550 0.176,551 2.889,552 2.042,553 1.501,554 0.841,555 0.495,556 0.369,557 0.207,558 0.162,559 14519,560 29879,561 2.186,562 50,563 5,564 15,568 4,569 6,572 1.72,573 2.093,574 3.681,575 -0.858,577 1,582 80.995,583 1.35,584 3.159,585 4.508,586 5.128,587 5.207,588 5.207,589 3.115,590 4.282,591 4.879,592 3.886,593 1690.43,594 8.467,595 24586.9,597 1,600 354.413,601 1.231,602 4.859,603 0.162,604 0.007,605 0.06,606 0.043,607 0.037,608 0.023,609 0.015,610 0.013,611 0.008,612 0.006,613 0.375,614 0.33,615 0.88,616 0.424,617 157.41,618 0.023,619 -0.113,620 0.073,621 -0.008,622 0.022,623 0.027,624 0.032,625 0.016,626 -0.013,627 -0.009,628 0.026,629 -0.013,630 -0.063,631 -0.061,632 -0.075,633 -0.077,634 -0.011,635 -0.075,636 -0.054,637 -0.024,638 -0.039,639 -0.036,640 -0.032,641 -0.035,642 0.007,643 -0.067,644 0.018,645 -0.06,646 -0.013,647 -0.025,648 -0.066,649 0.031,650 -0.044,651 0.022,652 -0.137,653 -0.006,654 0.142,655 -0.049,656 -0.079,657 -0.066,658 0.111,659 -0.092,660 -0.018,661 -0.029,662 -0.001,663 -0.006,664 -0.043,665 -0.004,666 1.474,667 5.933,668 0.8,669 32.24,670 0.987,671 1.12,672 3.989,673 15.909,674 0.66,675 3.555,676 3.892,677 4.19,678 4.489,679 4.754,680 4.82,681 4.997,682 5.13,683 5.142,684 5.165,685 7.908,686 0.614,687 402.58,688 3.555,689 5.106,690 5.969,691 6.855,692 7.736,693 8.63,694 9.519,695 10.418,696 11.314,697 12.217,698 3.3,701 1,705 1,715 7,720 5,722 12,727 1,741 60,743 14,744 2,745 34,747 64,748 26,749 12,750 5,751 7,752 1,756 5,757 9,767 5,768 1,770 7,772 14,773 12,774 1,777 2,782 2,786 2,790 1,793 30,794 4,796 4,802 2,808 0.6,809 2,828 1,829 4,832 2,833 1,834 1,844 1,855 1,859 3,868 30,876 11,880 1,881 2,893 3.3,896 2,901 14.333,902 10.65,903 6.472,904 4.09,907 2.139,908 1.26,909 1.008,910 5.54,911 10.372,912 3.761,913 4.29,914 4.804,915 5.334,916 5.846,917 6.02,918 6.362,919 6.577,920 6.614,921 6.646,922 0.889,923 48,924 11.245,926 4.934,927 0.026,929 7.55,931 22.39,933 19.694,936 2.05,937 61.5,940 1,941 353.133,942 117.835,943 6.249,945 50.29,948 117.835,949 403.423,950 6.249,952 29.289,953 66.334,954 60.128,955 18.623,957 353.133,959 353.133,960 124.084,961 50.29,964 282.506,965 120.916,968 32.413,969 91.671,972 353.133,973 56.538,974 117.835,977 353.133,978 51.502,979 72.582,981 50.29,982 353.133,983 56.538,984 117.835,986 0.584,987 0.342,988 0.189,989 0.107,990 25,991 10,992 0.094,993 6,994 3,995 1.208,996 4.345,997 269.417,998 0.25,999 23,1000 139.207,1005 19.664,1006 8.453,1007 4.155,1009 56.538,1010 14.726,1015 5.566,1018 527.507,1019 42,1024 25.174,1028 0.44,1031 59.229,1032 67.228,1034 0.229,1035 0.535,1036 0.763,1037 0.868,1038 0.881,1039 0.881,1040 5.024,1041 1.45,1042 5.948,1043 5.863,1044 4.575,1045 4.977,1046 2.594,1047 6.763,1048 4.551,1049 6.191,1050 1.405,1051 7.503,1052 4.115,1053 4.111,1054 4.705,1055 1.738,1056 7.647,1057 4.075,1058 7.482,1059 1.281,1060 9.157,1061 3.432,1062 6.168,1063 7.038,1064 3.39,1065 10.779,1066 6.112,1067 8.803,1068 1.166,1069 10.871,1070 3.037,1071 6.538,1072 7.595,1073 3.273,1074 12.553,1075 6.465,1076 10.16,1077 1,1078 12.627,1079 2.802,1080 8.05,1081 9.426,1082 4.496,1083 15.21,1084 7.958,1085 11.542,1086 1,1087 14.412,1088 2.275,1089 8.827,1090 10.388,1091 4.768,1092 17.383,1093 8.714,1094 12.944,1095 0.552,1096 16.22,1097 2.136,1098 10.117,1099 12.007,1100 5.752,1101 19.893,1102 9.984,1103 3.297,1104 0.047,1105 18.047,1106 1.294,1107 11.099,1108 13.183,1109 6.226,1110 22.238,1111 10.94,1112 2.766,1113 11.718,1114 19.891,1115 0.116,1116 12.303,1117 14.704,1118 7.081,1119 24.706,1120 12.122,1121 2.705,1122 8.701,1123 21.748,1124 4.219,1125 13.386,1126 15.996,1127 7.661,1128 27.12,1129 13.178,1130 2.463,1131 7.788,1132 23.617,1133 3.457,1134 14.562,1135 17.47,1136 8.445,1137 29.579,1138 14.331,1139 2.274,1140 7.169,1141 25.496,1142 3.392,1143 15.695,1144 18.827,1145 9.08,1146 32.02,1147 15.436,1148 2.082,1149 6.922,1150 27.384,1151 2.845,1152 16.867,1153 20.279,1154 9.827,1155 34.478,1156 16.583,1157 2.004,1158 6.23,1159 29.279,1160 2.634,1161 18.025,1162 21.671,1163 10.492,1164 36.93,1165 17.714,1166 13190,1167 19055,1168 23.463,1169 39.58,1170 51.246,1171 53.256,1172 51.729,1173 50.973,1174 50.983,1175 61.927,1176 10.234,1177 147.194,1178 50.449,1179 5.585,1180 5.862,1181 6.738,1182 5.311,1183 5.297,1184 7.219,1185 3.529,1186 18.867,1187 5.222,1188 10.117,1189 1.507,1190 1.566,1191 1.521,1192 1.499,1193 1.5,1194 1.821,1195 0.301,1196 4.329,1197 1.484,1198 4.086,1199 4.116,1200 4.038,1201 4.004,1202 7.429,1203 4.008,1204 3.951,1205 3.998,1206 3.865,1207 3.866,1208 7.425,1209 3.86,1210 3.83,1211 3.874,1212 3.719,1213 3.729,1214 4.759,1215 3.719,1216 3.625,1217 3.666,1218 3.545,1219 3.47,1220 4.681,1221 3.479,1222 3.472,1223 3.527,1224 3.335,1225 3.338,1226 4.317,1227 3.33,1228 3.379,1229 3.437,1230 3.252,1231 3.213,1232 4.028,1233 3.215,1234 3.169,1235 3.232,1236 3.039,1237 3.013,1238 3.892,1239 3.007,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.815,1245 2.91,1246 0.135,1247 0.114,1248 0.204,1249 0.126,1250 0.097,1251 4.585,1252 0.124,1253 3.862,1254 0.059,1255 6.936,1256 0.345,1257 4.273,1258 0.095,1259 3.297,1260 4.219,1261 2.015,1262 11.718,1263 3.222,1264 1.977,1265 1.954,1266 2.109,1267 2.079,1268 1.485,1269 2.092,1270 1.931,1271 1.895,1272 2.067,1273 2.046,1274 1.361,1275 2.055,1276 1.836,1277 1.788,1278 2.011,1279 1.951,1280 1.17,1281 1.974,1282 1.639,1283 1.59,1284 1.837,1285 1.82,1286 1.092,1287 1.824,1288 1.485,1289 1.435,1290 1.716,1291 1.679,1292 0.991,1293 1.691,1294 1.266,1295 1.213,1296 1.513,1297 1.475,1298 0.825,1299 1.483,1300 1.153,1301 1.092,1302 1.497,1303 1.376,1304 0.716,1305 1.429,1306 1.153,1307 1.064,1308 1.428,1309 1.361,1310 0.652,1311 1.384,1312 4.234,1314 5.565,1315 2.398,1316 7.093,1317 4.844,1318 8.711,1319 7.05,1320 10.38,1328 10.499,1332 0.644,1333 4.452,1340 36.848,1341 80.995,1342 189.559,1343 270.497,1344 307.659,1345 312.413,1346 312.413,1347 51.72,1348 8.233,1349 40.62,1350 40.62,1351 29,1352 12.739,1353 3.907,1354 3.17,1355 42.041,1356 145,1357 142,1358 0.14,1359 221.366,1360 393.22,1361 531.894,1362 50939,1364 20.501,1365 0.683,1366 0.587,1367 20.501,1368 17.608,1369 14.67,1370 0.431,1371 0.336,1372 11.343,1373 14.339,1374 11.1,1375 9.105,1376 14.67,1377 11.428,1378 13.318,1379 0.277,1380 0.19,1381 13.318,1382 9.136,1383 11.505,1384 0.177,1385 0.109,1386 11.505,1387 7.066,1388 9.809,1389 0.111,1390 0.061,1391 9.809,1392 5.395,1393 8.38,1394 0.073,1395 0.036,1396 8.38,1397 4.104,1398 0.227,1399 90.324,1400 0.206,1401 28.974,1402 0.361,1403 164,1404 380.761,1405 173.147,1406 372.069,1407 512.81,1408 350,1409 195,1410 374.907,1411 204.982,1412 382.177,1413 563.2,1414 362,1415 8.44}
{0 CHEMBL1651130,1 1.35,2 13.933,3 4.208,4 17.706,5 120.528,6 6.71,7 0.353,8 4.172,9 4.296,10 3.668,11 3.763,12 5.108,13 3.711,14 4.788,15 4.975,16 4.044,17 4.215,18 5.659,19 4.132,20 5.116,21 5.345,22 4.096,23 4.388,24 5.981,25 4.264,26 5.18,27 5.433,28 3.979,29 4.353,30 6.022,31 4.202,32 5.104,33 5.376,34 3.839,35 4.241,36 5.912,37 4.072,38 4.99,39 5.25,40 3.749,41 4.11,42 5.893,43 3.958,44 4.87,45 5.126,46 3.591,47 4.031,48 5.712,49 3.86,50 4.804,51 5.087,52 3.533,53 3.956,54 5.614,55 3.774,56 0.044,57 0.837,58 13.64,59 6.07,60 5.271,61 8.342,62 0.21,63 1.486,64 26.464,65 10.55,66 14.727,67 14.958,68 0.278,69 1.916,70 37.748,71 14.801,72 37.332,73 20.853,74 0.355,75 1.949,76 40.974,77 15.714,78 48.087,79 22.094,80 0.267,81 1.78,82 37.916,83 14.927,84 38.057,85 21.175,86 0.389,87 1.55,88 34.369,89 12.916,90 52.342,91 17.955,92 0.318,93 1.403,94 30.099,95 11.762,96 43.711,97 16.46,98 0.27,99 1.328,100 27.956,101 11.233,102 49.511,103 16.214,104 5,105 48,106 0.219,107 0.505,108 0.71,109 0.826,110 0.839,111 0.844,112 3.44,113 1.008,114 -5.22,115 -5.11,116 -4.78,121 43.3,123 7,124 1,127 4,144 7,145 4,146 1,159 1,160 1,176 17,179 1,180 10,187 18,192 10,200 15,206 10,214 13,219 8,227 14,231 1,232 3,239 16,243 1,244 2,251 14,255 1,256 4,264 10,269 6,277 6,281 1464,282 20.67,283 20.67,284 20.67,285 20.67,286 20.67,287 18.998,288 24.341,289 12.171,290 20.821,291 16.809,292 16.809,293 16.809,294 16.809,295 16.809,296 14.089,297 26.605,298 5.837,299 17.03,300 4.557,301 2.793,302 1.524,303 0.813,304 0.733,305 0.7,306 4.154,311 1,312 1,313 943,314 3.24,317 61.943,318 358.509,321 227.331,322 128.754,323 142.722,325 2.142,326 24.734,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 63,338 418,339 4.569,340 3.813,341 6.917,342 4.255,343 3.28,344 4.207,345 1.94,346 11.635,347 3.203,348 4.043,349 3.604,350 6.06,351 3.772,352 2.767,353 3.457,354 1.277,355 8.715,356 2.783,357 3.94,358 3.131,359 5.655,360 3.676,361 2.706,362 3.383,363 0.916,364 7.788,365 2.624,366 3.64,367 3.017,368 5.614,369 3.463,370 2.465,371 2.843,372 0.555,373 7.231,374 2.46,375 3.578,376 2.557,377 5.328,378 3.289,379 2.274,380 2.635,381 0.172,382 6.92,383 2.298,384 3.385,385 2.432,386 5.235,387 3.118,388 2.124,389 2.62,391 6.367,392 2.11,393 3.174,394 2.226,395 4.955,396 3.02,397 2.062,398 2.246,400 5.866,401 1.964,402 2.87,403 2.078,404 4.454,405 2.497,406 1.487,407 1.961,409 4.145,410 1.495,411 2.803,412 1.649,413 4.089,414 2.41,415 1.415,416 1.851,418 3.37,419 1.406,420 2.5,421 1.52,422 3.645,423 2.22,424 1.23,425 1.5,427 3.036,428 1.213,429 2.427,430 1.219,431 3.591,432 2,433 1,434 1.393,436 2.288,437 1,438 2.011,439 1.088,440 3.414,441 1.984,442 1,443 1,445 2.275,446 0.983,447 2,448 1.077,449 3.247,450 1.898,451 0.911,452 0.972,454 2.136,455 0.897,456 1.755,457 1,458 3.118,459 1.585,460 0.56,461 0.63,463 1.309,464 0.571,465 1.575,466 0.886,467 2.925,468 1.235,469 0.202,470 0.252,472 0.493,473 0.206,474 14.467,475 0.482,476 0.674,477 0.022,478 34.5,479 1.15,480 15.5,481 0.517,482 19,483 0.633,484 29.72,485 0.991,486 32.333,487 0.539,488 23.053,489 0.768,490 6.147,491 0.205,492 8.522,493 0.284,494 0.046,496 0.332,501 0.606,502 1.282,503 0.856,504 1.098,505 0.469,506 1.015,507 0.75,508 1.111,509 0.972,510 1.028,511 0.512,512 1.012,513 0.997,514 1.088,515 1.049,516 1.074,517 0.895,518 1.064,519 1.161,520 1.004,521 1.069,522 1.028,523 1.184,524 1.038,525 0.839,526 1.01,527 0.954,528 1.044,529 0.873,530 1.017,531 1.36,532 0.901,533 1.032,534 0.941,535 1.618,536 0.959,537 1.114,538 0.992,539 1.109,540 1.046,541 1.29,542 1.08,543 0.377,544 0.962,545 0.852,546 0.983,547 0.312,548 0.968,549 5.5,550 0.176,551 3.111,552 1.563,553 1.777,554 0.701,555 0.492,556 0.4,557 0.225,558 0.133,559 14601,560 30343,561 2.186,562 50,563 5,564 15,568 4,569 6,572 1.72,573 2.093,574 3.718,575 -0.858,577 1,582 80.995,583 1.35,584 3.113,585 4.383,586 5.094,587 5.174,588 5.207,589 3.219,590 4.507,591 4.879,592 3.908,593 1699.81,594 8.464,595 24731.6,597 1,600 354.413,601 1.231,602 4.859,603 0.162,604 0.008,605 0.065,606 0.033,607 0.043,608 0.02,609 0.015,610 0.015,611 0.009,612 0.005,613 0.374,614 0.33,615 0.88,616 0.424,617 157.585,618 0.023,619 -0.113,620 0.073,621 -0.008,622 0.022,623 0.027,624 0.032,625 0.016,626 -0.013,627 -0.009,628 0.025,629 -0.013,630 -0.063,631 -0.061,632 -0.075,633 -0.077,634 -0.018,635 -0.075,636 -0.09,637 -0.032,638 -0.079,639 -0.048,640 -0.074,641 -0.06,642 0.021,643 -0.068,644 0.019,645 -0.061,646 0.017,647 -0.026,648 -0.043,649 0.035,650 -0.02,651 0.029,652 -0.122,653 0.009,654 -0.044,655 -0.043,656 -0.123,657 -0.06,658 -0.105,659 -0.096,660 0.227,661 -0.024,662 0.1,663 0.005,664 0.243,665 0.036,666 1.432,667 5.934,668 0.8,669 32.653,670 0.987,671 1.12,672 3.989,673 15.909,674 0.66,675 3.555,676 3.892,677 4.19,678 4.477,679 4.745,680 4.82,681 4.984,682 5.136,683 5.147,684 5.176,685 7.969,686 0.614,687 402.58,688 3.555,689 5.106,690 5.969,691 6.853,692 7.733,693 8.624,694 9.513,695 10.409,696 11.304,697 12.204,698 3.3,701 1,705 1,715 7,720 5,722 12,727 1,741 60,743 14,744 2,745 34,747 64,748 26,749 12,750 5,751 7,752 1,756 5,757 9,767 5,768 1,770 7,772 14,773 12,774 1,777 2,782 2,786 2,790 1,793 30,794 4,796 4,802 2,808 0.6,809 2,828 1,829 4,832 2,833 1,834 1,844 1,855 1,859 3,868 30,876 11,880 1,881 2,893 3.3,896 2,901 14.333,902 10.65,903 6.472,904 4.09,907 2.139,908 1.26,909 1.008,910 5.54,911 10.371,912 3.761,913 4.29,914 4.804,915 5.314,916 5.829,917 6.004,918 6.334,919 6.566,920 6.628,921 6.712,922 1,923 48,924 11.242,926 4.928,927 0.026,929 7.55,931 22.39,933 19.694,936 2.05,937 61.5,940 1,941 353.133,942 117.835,943 6.249,945 50.29,948 117.835,949 403.423,950 6.249,952 29.289,953 66.334,954 60.128,955 18.623,957 353.133,959 353.133,960 124.084,961 50.29,964 282.506,965 120.916,968 32.413,969 91.671,972 353.133,973 56.538,974 117.835,977 353.133,978 51.502,979 72.582,981 50.29,982 353.133,983 56.538,984 117.835,986 0.585,987 0.343,988 0.186,989 0.106,990 25,991 10,992 0.094,993 6,994 3,995 1.208,996 4.352,997 268.947,998 0.25,999 23,1000 139.207,1005 19.664,1006 8.453,1007 4.155,1009 56.538,1010 14.801,1015 5.738,1018 527.507,1019 42,1024 25.033,1028 0.509,1031 59.229,1032 67.228,1034 0.229,1035 0.527,1036 0.742,1037 0.862,1038 0.876,1039 0.881,1040 5.024,1041 1.487,1042 5.948,1043 5.866,1044 4.575,1045 4.977,1046 2.522,1047 6.76,1048 4.551,1049 6.191,1050 1.415,1051 7.503,1052 4.145,1053 4.111,1054 4.705,1055 1.738,1056 7.647,1057 4.075,1058 7.482,1059 1.23,1060 9.156,1061 3.37,1062 6.168,1063 7.038,1064 3.248,1065 10.77,1066 6.112,1067 8.803,1068 1,1069 10.87,1070 3.036,1071 6.538,1072 7.595,1073 3.151,1074 12.537,1075 6.465,1076 10.159,1077 1,1078 12.624,1079 2.288,1080 8.044,1081 9.421,1082 4.272,1083 15.187,1084 7.952,1085 11.539,1086 0.911,1087 14.408,1088 2.275,1089 8.815,1090 10.378,1091 4.544,1092 17.346,1093 8.7,1094 12.939,1095 0.56,1096 16.215,1097 2.136,1098 10.1,1099 11.994,1100 5.447,1101 19.85,1102 9.964,1103 3.28,1104 0.202,1105 18.04,1106 1.309,1107 11.073,1108 13.163,1109 5.913,1110 22.182,1111 10.911,1112 2.767,1113 11.635,1114 19.88,1115 0.493,1116 12.271,1117 14.683,1118 6.699,1119 24.644,1120 12.087,1121 2.706,1122 8.715,1123 21.735,1124 4.207,1125 13.346,1126 15.968,1127 7.263,1128 27.047,1129 13.133,1130 2.465,1131 7.788,1132 23.6,1133 3.457,1134 14.517,1135 17.441,1136 7.989,1137 29.499,1138 14.279,1139 2.274,1140 7.231,1141 25.476,1142 3.383,1143 15.641,1144 18.792,1145 8.603,1146 31.931,1147 15.375,1148 2.124,1149 6.92,1150 27.36,1151 2.843,1152 16.807,1153 20.242,1154 9.297,1155 34.382,1156 16.516,1157 2.062,1158 6.367,1159 29.251,1160 2.635,1161 17.958,1162 21.63,1163 9.936,1164 36.826,1165 17.638,1166 13267,1167 19257,1168 23.463,1169 39.58,1170 51.483,1171 53.359,1172 51.79,1173 51.091,1174 51.043,1175 61.987,1176 9.724,1177 147.344,1178 50.502,1179 5.569,1180 5.813,1181 6.719,1182 5.294,1183 5.28,1184 7.207,1185 3.348,1186 18.835,1187 5.203,1188 10.209,1189 1.514,1190 1.569,1191 1.523,1192 1.503,1193 1.501,1194 1.823,1195 0.286,1196 4.334,1197 1.485,1198 4.086,1199 4.116,1200 4.035,1201 4.005,1202 7.429,1203 4.008,1204 3.951,1205 3.998,1206 3.864,1207 3.866,1208 7.425,1209 3.86,1210 3.83,1211 3.874,1212 3.719,1213 3.729,1214 4.759,1215 3.719,1216 3.629,1217 3.664,1218 3.553,1219 3.469,1220 4.69,1221 3.482,1222 3.469,1223 3.528,1224 3.334,1225 3.339,1226 4.317,1227 3.327,1228 3.375,1229 3.439,1230 3.239,1231 3.214,1232 3.99,1233 3.212,1234 3.172,1235 3.231,1236 3.052,1237 3.012,1238 3.901,1239 3.009,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.858,1245 2.91,1246 0.134,1247 0.112,1248 0.203,1249 0.125,1250 0.096,1251 4.569,1252 0.124,1253 3.813,1254 0.057,1255 6.917,1256 0.342,1257 4.255,1258 0.094,1259 3.28,1260 4.207,1261 1.94,1262 11.635,1263 3.203,1264 1.974,1265 1.953,1266 2.108,1267 2.078,1268 1.485,1269 2.09,1270 1.931,1271 1.895,1272 2.054,1273 2.044,1274 1.313,1275 2.048,1276 1.836,1277 1.788,1278 2.008,1279 1.951,1280 1.167,1281 1.972,1282 1.635,1283 1.589,1284 1.834,1285 1.821,1286 1.126,1287 1.825,1288 1.494,1289 1.437,1290 1.738,1291 1.684,1292 1.018,1293 1.705,1294 1.286,1295 1.218,1296 1.555,1297 1.485,1298 0.825,1299 1.512,1300 1.161,1301 1.095,1302 1.513,1303 1.376,1304 0.807,1305 1.429,1306 1.153,1307 1.064,1308 1.442,1309 1.365,1310 0.677,1311 1.394,1312 4.234,1314 5.565,1315 2.398,1316 7.093,1317 4.727,1318 8.712,1319 6.88,1320 10.384,1328 10.309,1332 0.655,1333 4.456,1340 36.848,1341 80.995,1342 186.804,1343 262.988,1344 305.659,1345 310.413,1346 312.413,1347 51.404,1348 8.232,1349 40.62,1350 40.62,1351 29,1352 12.727,1353 3.907,1354 3.17,1355 42.057,1356 146,1357 142,1358 0.139,1359 221.366,1360 393.22,1361 531.894,1362 50925,1364 20.501,1365 0.683,1366 0.587,1367 20.501,1368 17.608,1369 14.67,1370 0.431,1371 0.336,1372 11.343,1373 14.339,1374 11.104,1375 9.093,1376 14.67,1377 11.428,1378 13.306,1379 0.277,1380 0.19,1381 13.306,1382 9.105,1383 11.581,1384 0.178,1385 0.109,1386 11.581,1387 7.109,1388 9.696,1389 0.111,1390 0.062,1391 9.696,1392 5.373,1393 8.299,1394 0.073,1395 0.036,1396 8.299,1397 4.065,1398 0.226,1399 90.324,1400 0.206,1401 29.009,1402 0.358,1403 164,1404 380.761,1405 173.147,1406 371.895,1407 512.73,1408 350,1409 195,1410 374.907,1411 204.982,1412 381.698,1413 562.22,1414 362,1415 8.01}
{0 CHEMBL1651131,1 1.468,2 14.032,3 5.296,4 28.047,5 120.109,6 7.216,7 0.457,8 4.151,9 4.267,10 3.702,11 3.744,12 5.177,13 3.707,14 4.748,15 4.922,16 4.089,17 4.188,18 5.73,19 4.126,20 5.077,21 5.293,22 4.161,23 4.353,24 6.073,25 4.257,26 5.153,27 5.398,28 4.035,29 4.317,30 6.131,31 4.19,32 5.048,33 5.313,34 3.889,35 4.19,36 5.946,37 4.048,38 4.939,39 5.178,40 3.821,41 4.071,42 5.986,43 3.956,44 4.851,45 5.097,46 3.637,47 4.006,48 5.801,49 3.859,50 4.767,51 5.04,52 3.574,53 3.928,54 5.66,55 3.766,56 0.009,57 0.873,58 12.041,59 5.782,60 5.294,61 7.509,62 0.159,63 1.52,64 23.897,65 10.038,66 18.092,67 13.483,68 0.264,69 1.978,70 35.668,71 14.178,72 53.27,73 18.954,74 0.495,75 2.069,76 40.584,77 15.229,78 78.013,79 20.42,80 0.26,81 1.772,82 36.435,83 14.181,84 52.065,85 19.617,86 0.456,87 1.645,88 33.212,89 12.272,90 79.696,91 15.892,92 0.395,93 1.504,94 30.129,95 11.543,96 68.104,97 15.281,98 0.279,99 1.335,100 27.484,101 10.883,102 60.832,103 15.378,104 10,105 50,106 0.238,107 0.559,108 0.763,109 0.86,110 0.866,111 0.866,112 3.471,113 0.964,114 -5.24,115 -5.13,116 -4.8,121 44.8,123 6,124 1,127 3,144 7,145 4,146 1,153 1,154 1,159 1,160 1,176 15,179 1,180 10,187 16,192 9,200 14,206 10,214 13,219 8,227 12,231 1,232 3,239 15,243 1,244 2,251 13,255 1,256 4,264 9,269 6,277 6,281 1579,282 21.17,283 21.17,284 21.17,285 21.17,286 21.17,287 19.061,288 22.719,289 12.313,290 21.372,291 17.27,292 17.27,293 17.27,294 17.27,295 17.27,296 13.905,297 24.569,298 5.867,299 17.6,300 4.39,301 2.412,302 1.15,303 0.552,304 0.517,305 0.517,306 4.183,311 1,312 1,313 976,314 3.317,317 64.857,318 372.197,321 237.76,322 134.568,323 149.136,325 2.162,326 34.287,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 66.5,338 435,339 4.706,340 3.75,341 6.917,342 4.255,343 3.28,344 4.657,345 1.886,346 11.635,347 3.203,348 4.177,349 3.603,350 6.064,351 3.817,352 2.855,353 3.779,354 1.277,355 8.76,356 2.784,357 4.088,358 3.234,359 6.06,360 3.763,361 2.753,362 3.543,363 0.916,364 8.714,365 2.734,366 3.68,367 3.04,368 5.654,369 3.552,370 2.576,371 2.984,372 0.172,373 7.318,374 2.52,375 3.612,376 2.819,377 5.462,378 3.294,379 2.284,380 2.828,382 7.167,383 2.3,384 3.484,385 2.336,386 5.235,387 3.121,388 2.142,389 2.641,391 6.368,392 2.111,393 3.197,394 2.318,395 5.109,396 3.075,397 2.108,398 2.256,400 6.271,401 2.007,402 2.922,403 1.969,404 4.454,405 2.499,406 1.491,407 2.035,409 4.149,410 1.497,411 2.867,412 1.85,413 4.14,414 2.41,415 1.415,416 1.991,418 3.692,419 1.406,420 2.781,421 1.498,422 4.084,423 2.37,424 1.414,425 1.865,427 3.359,428 1.336,429 2.603,430 1.488,431 3.645,432 2.22,433 1.229,434 1.595,436 2.967,437 1.213,438 2.333,439 1.145,440 3.598,441 1.984,442 1,443 1.269,445 2.288,446 0.983,447 2,448 1.087,449 3.414,450 1.898,451 0.911,452 1,454 2.275,455 0.897,456 1.765,457 1.077,458 3.135,459 1.591,460 0.569,461 0.642,463 1.329,464 0.578,465 1.647,466 0.811,467 2.931,468 1.239,469 0.22,470 0.283,472 0.533,473 0.219,474 14.752,475 0.476,476 0.763,477 0.025,478 36.75,479 1.185,480 17,481 0.548,482 19.75,483 0.637,484 29.504,485 0.952,486 33.248,487 0.573,488 26.474,489 0.854,490 6.813,491 0.22,492 8.268,493 0.267,494 0.065,496 0.359,499 1,501 0.544,502 1.129,503 0.766,504 1.061,505 0.464,506 0.971,507 0.638,508 1.028,509 0.886,510 1.02,511 0.499,512 0.99,513 0.901,514 1.04,515 0.992,516 1.063,517 0.826,518 1.044,519 1.074,520 0.925,521 1.07,522 0.995,523 1.096,524 1.025,525 0.708,526 0.915,527 0.888,528 1.017,529 0.724,530 0.99,531 1.378,532 0.98,533 1.126,534 0.98,535 1.52,536 1.01,537 1.144,538 0.975,539 1.175,540 1.045,541 1.242,542 1.108,543 0.434,544 0.871,545 0.849,546 0.99,547 0.399,548 0.99,549 6,550 0.193,551 3.778,552 1.75,553 2.048,554 0.813,555 0.513,556 0.459,557 0.25,558 0.133,559 15768,560 39022,561 2.16,562 46.6,563 5,564 13,565 1,568 4,569 4,572 1.729,573 2.044,574 3.72,575 -0.831,582 85.17,583 1.468,584 3.446,585 4.708,586 5.306,587 5.341,588 5.341,589 3.216,590 4.632,591 4.928,592 3.929,593 1826.8,594 8.561,595 27325.5,600 339.763,601 1.332,602 4.896,603 0.171,604 0.008,605 0.076,606 0.034,607 0.048,608 0.022,609 0.015,610 0.016,611 0.009,612 0.005,613 0.405,614 0.33,615 0.88,616 0.486,617 164.6,618 0.003,619 -0.092,620 0.06,621 -0.01,622 0.009,623 0.024,624 0.017,625 -0.024,627 -0.02,628 0.032,629 -0.013,630 -0.052,631 -0.081,632 -0.045,633 -0.074,634 0.002,635 -0.06,636 -0.057,637 0.045,638 -0.077,639 -0.018,640 -0.065,641 -0.044,642 0.029,643 -0.063,644 0.081,645 -0.036,646 0.02,647 0.02,648 -0.111,649 0.021,650 -0.1,651 -0.002,652 -0.153,653 -0.041,654 -0.096,655 0.004,656 -0.179,657 -0.057,658 -0.141,659 -0.12,660 0.15,661 -0.033,662 0.103,663 -0.002,664 0.156,665 0.035,666 1.8,667 5.905,668 0.774,669 33.994,670 0.998,671 1.123,672 4.014,673 16.112,674 0.668,675 3.584,676 3.932,677 4.234,678 4.511,679 4.779,680 4.852,681 5.004,682 5.165,683 5.182,684 5.198,685 8.136,686 0.633,687 418.55,688 3.584,689 5.142,690 6.009,691 6.897,692 7.78,693 8.673,694 9.564,695 10.46,696 11.356,697 12.256,698 3.4,701 1,706 1,714 2,715 8,720 4,721 1,722 16,727 1,740 1,741 58,743 18,744 2,745 35,747 62,748 26,749 14,750 6,751 6,752 2,756 5,757 9,767 4,768 1,770 6,772 16,773 10,774 1,777 2,782 2,786 2,791 1,793 27,794 4,796 5,802 2,808 0.6,809 2,824 1,828 1,829 4,832 2,833 1,834 1,855 1,859 3,866 1,868 31,876 9,880 1,881 1,892 1,893 3.4,896 2,901 15.167,902 10.376,903 6.667,904 3.863,907 3.03,908 1.364,909 1.018,910 5.562,911 11.352,912 3.829,913 4.428,914 5.031,915 5.622,916 6.161,917 6.489,918 6.896,919 7.268,920 7.341,921 7.493,922 1,923 51,924 11.62,926 5.163,927 0.026,929 7.763,931 22.592,933 19.739,936 2.263,937 70.167,941 317.82,942 130.138,943 5.023,945 50.29,946 14.96,948 130.138,949 368.11,950 19.984,952 21.524,953 75.381,954 60.128,955 26.274,956 28.875,957 306.049,959 317.82,960 135.162,961 65.25,964 285.695,965 97.374,968 26.548,969 108.614,972 332.78,973 55.313,974 130.138,977 317.82,978 54.757,979 80.405,981 65.25,982 317.82,983 70.273,984 130.138,986 0.59,987 0.35,988 0.186,989 0.105,990 26,991 11,992 0.097,993 6,994 3,995 1.208,996 4.388,997 282.007,998 0.25,999 23,1000 149.58,1005 20.301,1006 8.493,1007 4.129,1008 1.949,1009 68.374,1010 14.667,1015 2.496,1016 1.72,1018 518.232,1019 45,1024 24.951,1028 0.319,1031 57.858,1032 65.153,1034 0.251,1035 0.588,1036 0.804,1037 0.906,1038 0.912,1039 0.912,1040 5.088,1041 1.491,1042 5.999,1043 6.271,1044 4.615,1045 5.115,1046 2.442,1047 6.823,1048 4.58,1049 6.288,1050 1.415,1051 7.566,1052 4.149,1053 4.205,1054 4.977,1055 1.668,1056 7.738,1057 4.144,1058 7.6,1059 1.414,1060 9.231,1061 3.692,1062 6.225,1063 7.323,1064 3.165,1065 10.852,1066 6.151,1067 8.947,1068 1.229,1069 10.954,1070 3.359,1071 6.635,1072 8.061,1073 3.005,1074 12.623,1075 6.533,1076 10.33,1077 1,1078 12.716,1079 2.967,1080 8.118,1081 9.895,1082 4.135,1083 15.266,1084 8.002,1085 11.738,1086 0.911,1087 14.505,1088 2.288,1089 8.912,1090 11.048,1091 4.336,1092 17.415,1093 8.767,1094 13.167,1095 0.569,1096 16.315,1097 2.275,1098 10.184,1099 12.688,1100 5.244,1101 19.911,1102 10.021,1103 3.28,1104 0.22,1105 18.141,1106 1.329,1107 11.166,1108 14.041,1109 5.649,1110 22.231,1111 10.974,1112 2.855,1113 11.635,1114 19.981,1115 0.533,1116 12.357,1117 15.606,1118 6.429,1119 24.685,1120 12.144,1121 2.753,1122 8.76,1123 21.834,1124 4.657,1125 13.432,1126 17.054,1127 6.945,1128 27.079,1129 13.191,1130 2.576,1131 8.714,1132 23.696,1133 3.779,1134 14.596,1135 18.594,1136 7.656,1137 29.524,1138 14.333,1139 2.284,1140 7.318,1141 25.568,1142 3.543,1143 15.717,1144 20.086,1145 8.229,1146 31.951,1147 15.427,1148 2.142,1149 7.167,1150 27.447,1151 2.984,1152 16.877,1153 21.618,1154 8.903,1155 34.397,1156 16.562,1157 2.108,1158 6.368,1159 29.333,1160 2.828,1161 18.023,1162 23.133,1163 9.506,1164 36.838,1165 17.681,1166 14403,1167 22785,1168 23.868,1169 38.756,1170 53.365,1171 55.503,1172 54.09,1173 52.937,1174 52.826,1175 67.14,1176 8.504,1177 154.439,1178 51.9,1179 5.706,1180 5.75,1181 6.604,1182 5.294,1183 5.28,1184 7.657,1185 3.272,1186 18.835,1187 5.203,1188 12.991,1189 1.525,1190 1.586,1191 1.545,1192 1.512,1193 1.509,1194 1.918,1195 0.243,1196 4.413,1197 1.483,1198 4.182,1199 4.21,1200 4.148,1201 4.095,1202 8.201,1203 4.104,1204 3.964,1205 4.009,1206 3.892,1207 3.869,1208 7.429,1209 3.868,1210 3.838,1211 3.881,1212 3.733,1213 3.733,1214 7.425,1215 3.725,1216 3.64,1217 3.673,1218 3.572,1219 3.486,1220 4.882,1221 3.501,1222 3.475,1223 3.525,1224 3.357,1225 3.359,1226 4.654,1227 3.349,1228 3.367,1229 3.428,1230 3.245,1231 3.212,1232 4.318,1233 3.212,1234 3.166,1235 3.225,1236 3.047,1237 3.007,1238 4.173,1239 3.004,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.929,1245 2.91,1246 0.134,1247 0.107,1248 0.198,1249 0.122,1250 0.094,1251 4.706,1252 0.133,1253 3.75,1254 0.054,1255 6.917,1256 0.332,1257 4.255,1258 0.092,1259 3.28,1260 4.657,1261 1.886,1262 11.635,1263 3.203,1264 2.012,1265 1.992,1266 2.111,1267 2.108,1268 1.485,1269 2.107,1270 1.927,1271 1.891,1272 2.073,1273 2.063,1274 1.337,1275 2.071,1276 1.836,1277 1.79,1278 1.991,1279 1.955,1280 1.159,1281 1.968,1282 1.662,1283 1.624,1284 1.816,1285 1.83,1286 1.038,1287 1.824,1288 1.489,1289 1.439,1290 1.711,1291 1.668,1292 0.933,1293 1.685,1294 1.25,1295 1.191,1296 1.513,1297 1.443,1298 0.825,1299 1.462,1300 1.165,1301 1.097,1302 1.487,1303 1.376,1304 0.686,1305 1.429,1306 1.153,1307 1.064,1308 1.434,1309 1.375,1310 0.594,1311 1.397,1312 4.263,1314 5.602,1315 2.398,1316 7.138,1317 4.727,1318 8.765,1319 6.88,1320 10.442,1324 13.886,1328 7.329,1332 0.543,1333 2.307,1340 36.704,1341 85.17,1342 199.891,1343 273.092,1344 307.763,1345 309.763,1346 309.763,1347 61.619,1348 8.322,1349 42.31,1350 42.31,1351 29,1352 12.779,1353 4.248,1354 3.459,1355 44.109,1356 155,1357 136,1358 0.137,1359 219.637,1360 385.75,1361 527.674,1362 57196,1363 1.7,1364 21.372,1365 0.689,1366 0.569,1367 20.501,1368 17.649,1369 15.081,1370 0.431,1371 0.321,1372 11.136,1373 14.638,1374 10.924,1375 8.943,1376 14.67,1377 11.244,1378 13.824,1379 0.276,1380 0.179,1381 13.306,1382 8.925,1383 12.115,1384 0.178,1385 0.101,1386 11.581,1387 6.9,1388 9.973,1389 0.111,1390 0.056,1391 9.696,1392 5.071,1393 8.547,1394 0.072,1395 0.032,1396 8.299,1397 3.833,1398 0.224,1399 93.654,1400 0.205,1401 29.766,1402 0.354,1403 170,1404 484.872,1405 182.978,1406 445.013,1407 600.94,1408 416,1409 203,1410 433.592,1411 216.474,1412 434.277,1413 640.31,1414 411,1415 8.6}
{0 CHEMBL1651132,1 1.468,2 14.065,3 5.296,4 28.047,5 120.109,6 7.216,7 0.457,8 4.151,9 4.267,10 3.702,11 3.744,12 5.176,13 3.707,14 4.748,15 4.922,16 4.089,17 4.188,18 5.739,19 4.126,20 5.076,21 5.293,22 4.14,23 4.353,24 6.062,25 4.253,26 5.144,27 5.392,28 4.024,29 4.317,30 6.075,31 4.187,32 5.051,33 5.315,34 3.868,35 4.191,36 5.968,37 4.043,38 4.925,39 5.169,40 3.81,41 4.073,42 5.911,43 3.948,44 4.855,45 5.099,46 3.675,47 4.005,48 5.832,49 3.867,50 4.779,51 5.048,52 3.584,53 3.927,54 5.728,55 3.773,56 0.009,57 0.873,58 12.041,59 5.782,60 5.194,61 7.509,62 0.159,63 1.52,64 23.897,65 10.038,66 19.819,67 13.483,68 0.285,69 1.965,70 35.723,71 14.176,72 54.996,73 18.953,74 0.364,75 1.968,76 39.787,77 15.194,78 65.305,79 20.728,80 0.368,81 1.802,82 36.807,83 14.179,84 60.402,85 19.571,86 0.367,87 1.53,88 32.252,89 12.2,90 64.434,91 16.417,92 0.396,93 1.546,94 30.314,95 11.564,96 67.46,97 15.15,98 0.346,99 1.421,100 28.204,101 10.937,102 73.432,103 14.984,104 10,105 50,106 0.238,107 0.559,108 0.769,109 0.866,110 0.866,111 0.866,112 3.471,113 0.963,114 -5.24,115 -5.13,116 -4.8,121 44.8,123 6,124 1,127 3,144 7,145 4,146 1,153 1,154 1,159 1,160 1,176 15,179 1,180 10,187 16,192 10,200 14,206 9,214 13,219 8,227 14,231 1,232 3,239 14,243 1,244 2,251 13,255 1,256 4,264 9,269 6,277 5,281 1596,282 21.118,283 21.118,284 21.118,285 21.118,286 21.118,287 19.037,288 24.07,289 12.291,290 21.331,291 17.292,292 17.292,293 17.292,294 17.292,295 17.292,296 13.931,297 27.168,298 5.887,299 17.635,300 4.39,301 2.412,302 1.115,303 0.517,304 0.517,305 0.517,306 4.183,311 1,312 1,313 978,314 3.317,317 65.195,318 373.936,321 239.023,322 135.293,323 149.928,325 2.196,326 33.426,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 66.5,338 436,339 4.706,340 3.75,341 6.917,342 4.255,343 3.28,344 4.657,345 1.886,346 11.635,347 3.203,348 4.088,349 3.603,350 6.06,351 3.773,352 2.776,353 3.653,354 1.277,355 8.715,356 2.783,357 4.061,358 3.079,359 5.665,360 3.712,361 2.733,362 3.543,363 0.916,364 7.927,365 2.657,366 3.682,367 3.04,368 5.65,369 3.527,370 2.547,371 2.984,372 0.172,373 7.249,374 2.5,375 3.626,376 2.848,377 5.39,378 3.295,379 2.288,380 2.828,382 7.071,383 2.3,384 3.485,385 2.447,386 5.235,387 3.141,388 2.182,389 2.707,391 6.368,392 2.112,393 3.339,394 2.319,395 5.093,396 3.108,397 2.117,398 2.497,400 6.264,401 2.053,402 3.047,403 2.139,404 4.651,405 2.767,406 1.817,407 2.118,409 5.025,410 1.712,411 2.905,412 1.967,413 4.453,414 2.487,415 1.477,416 1.966,418 4.143,419 1.483,420 2.656,421 1.488,422 4.089,423 2.224,424 1.235,425 1.725,427 3.365,428 1.217,429 2.602,430 1.279,431 3.645,432 2.176,433 1.185,434 1.595,436 2.597,437 1.17,438 2.333,439 1.145,440 3.482,441 1.984,442 1,443 1.269,445 2.288,446 0.983,447 2,448 1.086,449 3.414,450 1.898,451 0.911,452 1,454 2.275,455 0.897,456 1.755,457 1.077,458 3.136,459 1.586,460 0.561,461 0.631,463 1.316,464 0.571,465 1.647,466 0.811,467 2.931,468 1.235,469 0.202,470 0.273,472 0.494,473 0.206,474 14.752,475 0.476,476 0.78,477 0.025,478 36.75,479 1.185,480 17,481 0.548,482 19.75,483 0.637,484 29.389,485 0.948,486 33.248,487 0.573,488 26.4,489 0.852,490 6.797,491 0.219,492 8.267,493 0.267,494 0.065,496 0.359,499 1,501 0.544,502 1.129,503 0.766,504 1.061,505 0.465,506 0.971,507 0.638,508 1.028,509 0.886,510 1.02,511 0.487,512 0.99,513 0.919,514 1.01,515 1.027,516 1.06,517 0.847,518 1.058,519 0.891,520 0.895,521 0.997,522 0.996,523 0.887,524 1.011,525 0.758,526 0.867,527 0.945,528 1.013,529 0.807,530 1.012,531 0.992,532 0.866,533 0.994,534 0.98,535 1.153,536 0.994,537 1.224,538 1.043,539 1.167,540 1.049,541 1.319,542 1.095,543 0.764,544 0.968,545 0.962,546 0.99,547 0.718,548 1.004,549 6.5,550 0.176,551 3.333,552 1.875,553 1.888,554 0.813,555 0.574,556 0.416,557 0.271,558 0.153,559 15880,560 39662,561 2.16,562 46.6,563 5,564 13,565 1,568 4,569 4,572 1.728,573 2.044,574 3.736,575 -0.831,582 85.17,583 1.468,584 3.446,585 4.743,586 5.341,587 5.341,588 5.341,589 3.232,590 4.632,591 4.927,592 3.945,593 1834.62,594 8.559,595 27524.7,600 339.763,601 1.332,602 4.896,603 0.186,604 0.007,605 0.067,606 0.038,607 0.044,608 0.023,609 0.017,610 0.014,611 0.01,612 0.006,613 0.411,614 0.33,615 0.88,616 0.486,617 164.815,618 0.003,619 -0.092,620 0.06,621 -0.01,622 0.008,623 0.024,624 0.017,625 -0.024,627 -0.02,628 0.044,629 -0.013,630 -0.071,631 -0.05,632 -0.081,633 -0.072,634 -0.019,635 -0.075,636 -0.054,637 -0.029,638 -0.027,639 -0.022,640 -0.032,641 -0.02,642 0.044,643 0.023,644 0.031,645 -0.031,646 0.002,647 -0.006,648 -0.025,649 -0.037,650 -0.007,651 -0.008,652 -0.081,653 -0.008,654 -0.095,655 -0.019,656 -0.16,657 -0.059,658 -0.139,659 -0.111,660 0.078,661 0.016,662 0.024,663 0.003,664 0.088,665 0.007,666 1.846,667 5.906,668 0.774,669 34.595,670 0.998,671 1.123,672 4.014,673 16.112,674 0.668,675 3.584,676 3.932,677 4.22,678 4.511,679 4.771,680 4.86,681 5.004,682 5.159,683 5.182,684 5.209,685 8.206,686 0.633,687 418.55,688 3.584,689 5.142,690 6.004,691 6.893,692 7.771,693 8.665,694 9.551,695 10.449,696 11.342,697 12.243,698 3.4,701 1,706 1,714 2,715 8,720 4,721 1,722 16,727 1,740 1,741 58,743 18,744 2,745 35,747 62,748 26,749 14,750 6,751 6,752 2,756 5,757 9,767 4,768 1,770 6,772 16,773 10,774 1,777 2,782 2,786 2,791 1,793 27,794 4,796 5,802 2,808 0.6,809 2,824 1,828 1,829 4,832 2,833 1,834 1,855 1,859 3,866 1,868 31,876 9,880 1,881 1,892 1,893 3.4,896 2,901 15.167,902 10.376,903 6.639,904 3.857,907 3.001,908 1.361,909 1.018,910 5.562,911 11.323,912 3.829,913 4.428,914 5.021,915 5.624,916 6.159,917 6.499,918 6.895,919 7.269,920 7.34,921 7.494,922 1,923 50,924 11.608,926 5.147,927 0.026,929 7.763,931 22.592,933 19.734,936 2.263,937 70.167,941 317.82,942 130.138,943 5.023,945 50.29,946 14.96,948 130.138,949 368.11,950 19.984,952 21.524,953 75.381,954 60.128,955 26.274,956 28.875,957 306.049,959 317.82,960 135.162,961 65.25,964 285.695,965 97.374,968 26.548,969 108.614,972 332.78,973 55.313,974 130.138,977 317.82,978 54.757,979 80.405,981 65.25,982 317.82,983 70.273,984 130.138,986 0.589,987 0.343,988 0.185,989 0.104,990 26,991 11,992 0.097,993 6,994 3,995 1.208,996 4.403,997 281.052,998 0.25,999 23,1000 149.58,1005 20.301,1006 8.493,1007 4.259,1008 1.957,1009 68.374,1010 14.527,1015 2.721,1016 1.722,1018 518.232,1019 45,1024 24.952,1028 0.329,1031 57.858,1032 65.153,1034 0.251,1035 0.588,1036 0.81,1037 0.912,1038 0.912,1039 0.912,1040 5.088,1041 1.817,1042 5.994,1043 6.264,1044 4.615,1045 5.115,1046 2.442,1047 6.81,1048 4.58,1049 6.288,1050 1.477,1051 7.553,1052 5.025,1053 4.205,1054 4.977,1055 1.668,1056 7.698,1057 4.144,1058 7.598,1059 1.235,1060 9.208,1061 4.143,1062 6.217,1063 7.317,1064 3.165,1065 10.811,1066 6.145,1067 8.941,1068 1.185,1069 10.921,1070 3.365,1071 6.608,1072 8.039,1073 3.005,1074 12.562,1075 6.512,1076 10.319,1077 1,1078 12.671,1079 2.597,1080 8.092,1081 9.876,1082 4.135,1083 15.211,1084 7.983,1085 11.721,1086 0.911,1087 14.45,1088 2.288,1089 8.87,1090 11.018,1091 4.336,1092 17.36,1093 8.735,1094 13.145,1095 0.561,1096 16.252,1097 2.275,1098 10.143,1099 12.661,1100 5.244,1101 19.863,1102 9.992,1103 3.28,1104 0.202,1105 18.072,1106 1.316,1107 11.116,1108 14.01,1109 5.649,1110 22.189,1111 10.938,1112 2.776,1113 11.635,1114 19.908,1115 0.494,1116 12.308,1117 15.579,1118 6.429,1119 24.65,1120 12.11,1121 2.733,1122 8.715,1123 21.758,1124 4.657,1125 13.38,1126 17.027,1127 6.945,1128 27.051,1129 13.155,1130 2.547,1131 7.927,1132 23.62,1133 3.653,1134 14.546,1135 18.57,1136 7.656,1137 29.502,1138 14.298,1139 2.288,1140 7.249,1141 25.493,1142 3.543,1143 15.668,1144 20.065,1145 8.229,1146 31.933,1147 15.393,1148 2.182,1149 7.071,1150 27.374,1151 2.984,1152 16.83,1153 21.6,1154 8.903,1155 34.383,1156 16.531,1157 2.117,1158 6.368,1159 29.263,1160 2.828,1161 17.978,1162 23.116,1163 9.506,1164 36.827,1165 17.652,1166 14506,1167 23056,1168 23.868,1169 38.756,1170 53.294,1171 55.205,1172 53.906,1173 52.852,1174 52.7,1175 66.98,1176 8.504,1177 153.664,1178 51.77,1179 5.706,1180 5.75,1181 6.473,1182 5.294,1183 5.28,1184 7.657,1185 3.272,1186 18.835,1187 5.203,1188 13.098,1189 1.523,1190 1.577,1191 1.54,1192 1.51,1193 1.506,1194 1.914,1195 0.243,1196 4.39,1197 1.479,1198 4.182,1199 4.21,1200 4.148,1201 4.095,1202 8.201,1203 4.104,1204 3.963,1205 4.008,1206 3.889,1207 3.869,1208 7.429,1209 3.867,1210 3.838,1211 3.881,1212 3.735,1213 3.733,1214 7.425,1215 3.725,1216 3.641,1217 3.674,1218 3.573,1219 3.486,1220 4.882,1221 3.501,1222 3.475,1223 3.525,1224 3.358,1225 3.359,1226 4.649,1227 3.349,1228 3.368,1229 3.429,1230 3.25,1231 3.212,1232 4.31,1233 3.213,1234 3.171,1235 3.228,1236 3.061,1237 3.007,1238 4.173,1239 3.006,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.927,1245 2.91,1246 0.134,1247 0.107,1248 0.198,1249 0.122,1250 0.094,1251 4.706,1252 0.133,1253 3.75,1254 0.054,1255 6.917,1256 0.332,1257 4.255,1258 0.092,1259 3.28,1260 4.657,1261 1.886,1262 11.635,1263 3.203,1264 2.012,1265 1.992,1266 2.112,1267 2.108,1268 1.485,1269 2.107,1270 1.928,1271 1.892,1272 2.074,1273 2.063,1274 1.337,1275 2.071,1276 1.836,1277 1.79,1278 1.99,1279 1.955,1280 1.161,1281 1.968,1282 1.662,1283 1.624,1284 1.816,1285 1.83,1286 1.038,1287 1.824,1288 1.488,1289 1.438,1290 1.709,1291 1.668,1292 0.933,1293 1.684,1294 1.249,1295 1.19,1296 1.513,1297 1.443,1298 0.825,1299 1.461,1300 1.163,1301 1.096,1302 1.483,1303 1.376,1304 0.676,1305 1.429,1306 1.153,1307 1.064,1308 1.427,1309 1.375,1310 0.593,1311 1.395,1312 4.263,1314 5.602,1315 2.398,1316 7.133,1317 4.727,1318 8.755,1319 6.88,1320 10.428,1324 13.388,1328 7.635,1332 0.563,1333 2.373,1340 36.704,1341 85.17,1342 199.891,1343 275.092,1344 309.763,1345 309.763,1346 309.763,1347 60.133,1348 8.322,1349 42.31,1350 42.31,1351 29,1352 12.766,1353 4.248,1354 3.459,1355 44.12,1356 156,1357 138,1358 0.136,1359 219.637,1360 385.75,1361 527.674,1362 57196,1363 1.7,1364 21.372,1365 0.689,1366 0.569,1367 20.501,1368 17.649,1369 15.064,1370 0.43,1371 0.321,1372 11.13,1373 14.615,1374 10.915,1375 8.937,1376 14.67,1377 11.238,1378 13.94,1379 0.279,1380 0.179,1381 13.306,1382 8.964,1383 11.902,1384 0.178,1385 0.102,1386 11.581,1387 6.843,1388 10.047,1389 0.112,1390 0.057,1391 9.696,1392 5.097,1393 8.436,1394 0.072,1395 0.033,1396 8.299,1397 3.812,1398 0.223,1399 93.553,1400 0.205,1401 29.811,1402 0.35,1403 170,1404 484.872,1405 182.978,1406 445.231,1407 600.38,1408 416,1409 202,1410 432.592,1411 214.892,1412 433.578,1413 637.5,1414 410,1415 8.889}
{0 CHEMBL1651133,1 1.468,2 14.032,3 5.755,4 33.118,5 124.697,6 7.5,7 0.457,8 4.148,9 4.262,10 3.735,11 3.765,12 5.14,13 3.718,14 4.745,15 4.917,16 4.134,17 4.216,18 5.683,19 4.141,20 5.072,21 5.284,22 4.225,23 4.392,24 6.013,25 4.277,26 5.146,27 5.385,28 4.094,29 4.354,30 6.06,31 4.209,32 5.044,33 5.306,34 3.946,35 4.223,36 5.905,37 4.065,38 4.931,39 5.163,40 3.888,41 4.125,42 5.915,43 3.982,44 4.844,45 5.083,46 3.684,47 4.047,48 5.736,49 3.878,50 4.764,51 5.034,52 3.615,53 3.953,54 5.626,55 3.779,56 0.02,57 0.787,58 11.772,59 5.615,60 5.311,61 7.49,62 0.172,63 1.396,64 23.99,65 9.959,66 15.947,67 13.588,68 0.261,69 1.805,70 37.352,71 14.436,72 44.147,73 19.467,74 0.421,75 1.856,76 44.696,77 15.766,78 59.706,79 21.263,80 0.251,81 1.682,82 38.372,83 14.635,84 43.622,85 20.167,86 0.411,87 1.446,88 37.133,89 12.833,90 61.504,91 16.846,92 0.35,93 1.348,94 33.562,95 12.003,96 51.503,97 16.083,98 0.269,99 1.282,100 28.943,101 11.21,102 53.976,103 15.773,104 10,105 50,106 0.238,107 0.559,108 0.763,109 0.86,110 0.866,111 0.866,112 3.471,113 0.996,114 -5.34,115 -5.23,116 -4.89,121 44.8,123 6,124 1,127 3,144 7,145 4,146 1,153 1,154 1,159 1,160 1,176 15,179 1,180 10,187 18,192 9,200 16,206 11,214 14,219 8,227 12,231 1,232 3,239 17,243 1,244 2,251 14,255 1,256 4,264 10,269 6,277 7,281 1579,282 21.17,283 21.17,284 21.17,285 21.17,286 21.17,287 19.061,288 22.698,289 12.313,290 21.431,291 17.27,292 17.27,293 17.27,294 17.27,295 17.27,296 13.905,297 24.533,298 5.867,299 17.727,300 4.39,301 2.412,302 1.15,303 0.552,304 0.517,305 0.517,306 4.183,308 1,312 1,313 976,314 3.317,317 64.857,318 372.197,321 237.76,322 134.568,323 149.136,325 2.162,326 27.592,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 65.333,338 435,339 4.706,340 3.75,341 6.917,342 4.255,343 3.28,344 4.657,345 1.886,346 11.635,347 3.203,348 4.177,349 3.603,350 6.064,351 3.802,352 2.855,353 3.779,354 1.277,355 8.76,356 2.783,357 4.088,358 3.245,359 6.06,360 3.761,361 2.753,362 3.543,363 0.916,364 8.714,365 2.675,366 3.68,367 3.04,368 5.654,369 3.547,370 2.576,371 2.984,372 0.172,373 7.318,374 2.5,375 3.612,376 2.824,377 5.462,378 3.294,379 2.284,380 2.828,382 7.167,383 2.299,384 3.484,385 2.339,386 5.235,387 3.121,388 2.142,389 2.641,391 6.368,392 2.111,393 3.197,394 2.318,395 5.109,396 3.07,397 2.108,398 2.256,400 6.271,401 1.989,402 2.922,403 1.969,404 4.454,405 2.498,406 1.491,407 2.035,409 4.149,410 1.496,411 2.867,412 1.862,413 4.14,414 2.41,415 1.415,416 1.991,418 3.692,419 1.406,420 2.781,421 1.499,422 4.084,423 2.334,424 1.414,425 1.865,427 3.359,428 1.23,429 2.603,430 1.488,431 3.645,432 2.22,433 1.229,434 1.595,436 2.967,437 1.21,438 2.333,439 1.145,440 3.598,441 1.984,442 1,443 1.269,445 2.288,446 0.983,447 2,448 1.087,449 3.414,450 1.898,451 0.911,452 1,454 2.275,455 0.897,456 1.765,457 1.077,458 3.135,459 1.591,460 0.569,461 0.642,463 1.329,464 0.576,465 1.647,466 0.811,467 2.931,468 1.238,469 0.22,470 0.283,472 0.533,473 0.215,474 15.181,475 0.49,476 0.763,477 0.025,478 36.75,479 1.185,480 17,481 0.548,482 19.75,483 0.637,484 30.463,485 0.983,486 32.819,487 0.566,488 25.515,489 0.823,490 6.682,491 0.216,492 8.399,493 0.271,494 0.091,496 0.349,501 0.572,502 1.248,503 0.665,504 0.991,505 0.467,506 0.937,507 0.685,508 1.102,509 0.763,510 0.948,511 0.508,512 0.955,513 0.955,514 1.072,515 0.907,516 1.011,517 0.876,518 1.02,519 1.094,520 0.987,521 1.079,522 1.045,523 1.114,524 1.044,525 0.756,526 0.986,527 0.796,528 0.98,529 0.791,530 0.97,531 1.384,532 0.936,533 1.195,534 1.026,535 1.586,536 1.036,537 1.112,538 0.998,539 1.217,540 1.112,541 1.235,542 1.138,543 0.412,544 0.972,545 0.761,546 0.97,547 0.347,548 0.976,549 6,550 0.193,551 3.778,552 1.75,553 2.048,554 0.813,555 0.513,556 0.459,557 0.25,558 0.133,559 15768,560 39022,561 2.16,562 46.6,563 5,564 13,565 1,568 4,569 4,572 1.729,573 2.044,574 3.72,575 -0.831,582 85.17,583 1.468,584 3.446,585 4.708,586 5.306,587 5.341,588 5.341,589 3.216,590 4.632,591 4.928,592 3.929,593 1826.8,594 8.561,595 27325.5,600 339.763,601 1.332,602 4.896,603 0.171,604 0.008,605 0.076,606 0.034,607 0.048,608 0.022,609 0.015,610 0.016,611 0.009,612 0.005,613 0.405,614 0.33,615 0.88,616 0.486,617 164.6,618 0.008,619 -0.116,620 0.041,621 -0.013,622 0.015,623 0.021,624 0.026,625 0.009,626 0.011,627 0.006,628 0.033,629 -0.003,630 -0.061,631 -0.055,632 -0.022,633 -0.04,634 0.001,635 -0.047,636 -0.068,637 -0.019,638 -0.084,639 -0.064,640 -0.063,641 -0.061,642 0.036,643 -0.04,644 0.078,645 -0.004,646 0.035,647 0.032,648 -0.103,649 0.006,650 -0.116,651 -0.033,652 -0.151,653 -0.057,654 -0.085,655 -0.055,656 -0.19,657 -0.115,658 -0.138,659 -0.145,660 0.196,661 -0.028,662 0.086,663 0.01,664 0.224,665 0.04,666 1.526,667 5.932,668 0.774,669 33.994,670 0.994,671 1.117,672 4.114,673 16.926,674 0.684,675 3.584,676 3.932,677 4.234,678 4.511,679 4.779,680 4.852,681 5.004,682 5.165,683 5.182,684 5.198,685 8.136,686 0.64,687 435,688 3.584,689 5.142,690 6.009,691 6.897,692 7.78,693 8.673,694 9.564,695 10.46,696 11.356,697 12.256,698 3.4,701 1,706 1,714 2,715 8,720 4,721 1,722 16,727 1,740 1,741 58,743 18,744 2,745 35,747 62,748 26,749 14,750 6,751 6,752 2,756 5,757 9,758 1,767 4,768 1,770 6,772 16,773 10,774 1,777 2,782 2,786 2,793 27,794 3,796 5,797 1,802 2,808 0.6,809 2,824 1,828 1,829 4,832 2,833 1,834 1,855 1,859 3,865 1,868 31,876 9,880 1,881 1,892 1,893 3.4,896 2,901 15.167,902 10.376,903 6.667,904 3.863,907 3.03,908 1.364,909 1.015,910 5.792,911 11.352,912 3.829,913 4.428,914 5.031,915 5.622,916 6.161,917 6.489,918 6.896,919 7.268,920 7.341,921 7.493,922 1,923 51,924 11.574,926 5.087,927 0.026,929 7.638,931 22.731,933 19.847,936 2.138,937 66.278,941 317.82,942 124.518,943 5.023,944 39.149,945 50.29,948 124.518,949 407.258,950 5.023,952 21.524,953 75.381,954 60.128,955 20.654,956 13.915,957 306.049,958 39.149,959 317.82,960 129.541,961 50.29,962 39.149,964 270.735,965 97.374,968 26.548,969 102.994,970 39.149,972 317.82,973 55.313,974 163.667,977 317.82,978 49.137,979 80.405,981 89.438,982 317.82,983 55.313,984 163.667,986 0.59,987 0.35,988 0.186,989 0.105,990 26,991 11,992 0.097,993 6,994 3,995 1.208,996 4.388,997 282.007,998 0.25,999 23,1000 147.58,1005 20.632,1006 8.703,1007 4.253,1008 1.987,1009 53.414,1010 15.819,1015 3.947,1016 1.735,1018 536.8,1019 45,1024 24.99,1028 0.365,1031 57.669,1032 64.757,1034 0.251,1035 0.588,1036 0.804,1037 0.906,1038 0.912,1039 0.912,1040 5.088,1041 1.491,1042 5.999,1043 6.271,1044 4.615,1045 5.115,1046 2.442,1047 6.823,1048 4.567,1049 6.288,1050 1.415,1051 7.566,1052 4.149,1053 4.205,1054 4.977,1055 1.668,1056 7.738,1057 4.115,1058 7.6,1059 1.414,1060 9.231,1061 3.692,1062 6.225,1063 7.323,1064 3.165,1065 10.852,1066 6.132,1067 8.947,1068 1.229,1069 10.954,1070 3.359,1071 6.635,1072 8.061,1073 3.005,1074 12.623,1075 6.501,1076 10.33,1077 1,1078 12.716,1079 2.967,1080 8.118,1081 9.895,1082 4.135,1083 15.266,1084 7.977,1085 11.738,1086 0.911,1087 14.505,1088 2.288,1089 8.912,1090 11.048,1091 4.336,1092 17.415,1093 8.733,1094 13.167,1095 0.569,1096 16.315,1097 2.275,1098 10.184,1099 12.688,1100 5.244,1101 19.911,1102 9.992,1103 3.28,1104 0.22,1105 18.141,1106 1.329,1107 11.166,1108 14.041,1109 5.649,1110 22.231,1111 10.941,1112 2.855,1113 11.635,1114 19.981,1115 0.533,1116 12.357,1117 15.606,1118 6.429,1119 24.685,1120 12.114,1121 2.753,1122 8.76,1123 21.834,1124 4.657,1125 13.432,1126 17.054,1127 6.945,1128 27.079,1129 13.16,1130 2.576,1131 8.714,1132 23.696,1133 3.779,1134 14.596,1135 18.594,1136 7.656,1137 29.524,1138 14.303,1139 2.284,1140 7.318,1141 25.568,1142 3.543,1143 15.717,1144 20.086,1145 8.229,1146 31.951,1147 15.398,1148 2.142,1149 7.167,1150 27.447,1151 2.984,1152 16.877,1153 21.618,1154 8.903,1155 34.397,1156 16.536,1157 2.108,1158 6.368,1159 29.333,1160 2.828,1161 18.023,1162 23.133,1163 9.506,1164 36.838,1165 17.657,1166 14403,1167 22785,1168 23.868,1169 39.676,1170 53.365,1171 55.53,1172 54.09,1173 53.034,1174 52.826,1175 67.14,1176 8.504,1177 154.439,1178 51.452,1179 5.706,1180 5.75,1181 6.604,1182 5.294,1183 5.28,1184 7.657,1185 3.272,1186 18.835,1187 5.203,1188 12.991,1189 1.525,1190 1.587,1191 1.545,1192 1.515,1193 1.509,1194 1.918,1195 0.243,1196 4.413,1197 1.47,1198 4.182,1199 4.21,1200 4.149,1201 4.095,1202 7.429,1203 4.104,1204 3.961,1205 4.005,1206 4.014,1207 3.884,1208 7.425,1209 3.876,1210 3.836,1211 3.875,1212 3.754,1213 3.736,1214 4.934,1215 3.726,1216 3.64,1217 3.673,1218 3.576,1219 3.486,1220 4.879,1221 3.501,1222 3.475,1223 3.525,1224 3.359,1225 3.359,1226 4.363,1227 3.349,1228 3.367,1229 3.428,1230 3.302,1231 3.212,1232 4.305,1233 3.212,1234 3.166,1235 3.225,1236 3.241,1237 3.008,1238 4.173,1239 3.004,1240 3.111,1241 3.206,1242 3.045,1243 2.941,1244 3.929,1245 2.91,1246 0.134,1247 0.107,1248 0.198,1249 0.122,1250 0.094,1251 4.706,1252 0.133,1253 3.75,1254 0.054,1255 6.917,1256 0.332,1257 4.255,1258 0.092,1259 3.28,1260 4.657,1261 1.886,1262 11.635,1263 3.203,1264 2.012,1265 1.992,1266 2.111,1267 2.108,1268 1.485,1269 2.106,1270 1.929,1271 1.896,1272 2.072,1273 2.058,1274 1.337,1275 2.069,1276 1.837,1277 1.791,1278 1.983,1279 1.942,1280 1.167,1281 1.963,1282 1.662,1283 1.624,1284 1.816,1285 1.829,1286 1.041,1287 1.824,1288 1.489,1289 1.439,1290 1.711,1291 1.668,1292 0.934,1293 1.685,1294 1.25,1295 1.191,1296 1.513,1297 1.443,1298 0.825,1299 1.462,1300 1.165,1301 1.097,1302 1.487,1303 1.376,1304 0.686,1305 1.429,1306 1.153,1307 1.064,1308 1.434,1309 1.375,1310 0.594,1311 1.397,1312 4.263,1314 5.602,1315 2.398,1316 7.138,1317 4.727,1318 8.765,1319 6.88,1320 10.442,1323 6.303,1328 8.066,1332 0.604,1333 2.462,1340 37.148,1341 85.17,1342 199.891,1343 273.092,1344 307.763,1345 309.763,1346 309.763,1347 55.594,1348 8.322,1349 42.31,1350 42.31,1351 29,1352 12.779,1353 4.248,1354 3.459,1355 44.109,1356 155,1357 136,1358 0.137,1359 226.772,1360 394.89,1361 545.083,1362 57196,1363 1.7,1364 21.372,1365 0.689,1366 0.594,1367 21.872,1368 18.405,1369 15.081,1370 0.431,1371 0.332,1372 11.191,1373 14.458,1374 10.924,1375 8.943,1376 15.369,1377 11.622,1378 13.824,1379 0.276,1380 0.187,1381 14.195,1382 9.333,1383 12.115,1384 0.178,1385 0.107,1386 12.495,1387 7.269,1388 9.973,1389 0.111,1390 0.059,1391 10.226,1392 5.266,1393 8.547,1394 0.072,1395 0.034,1396 8.774,1397 3.996,1398 0.224,1399 95.963,1400 0.205,1401 29.766,1402 0.354,1403 170,1404 424.965,1405 194.667,1406 445.013,1407 600.94,1408 416,1409 203,1410 417.121,1411 224.692,1412 434.277,1413 640.31,1414 411,1415 8.29}
{0 CHEMBL1651134,1 1.468,2 14.065,3 5.755,4 33.118,5 124.697,6 7.5,7 0.457,8 4.148,9 4.262,10 3.735,11 3.765,12 5.139,13 3.718,14 4.745,15 4.917,16 4.134,17 4.216,18 5.688,19 4.141,20 5.072,21 5.284,22 4.186,23 4.386,24 6.009,25 4.269,26 5.14,27 5.386,28 4.074,29 4.346,30 6.034,31 4.202,32 5.047,33 5.306,34 3.908,35 4.215,36 5.917,37 4.055,38 4.922,39 5.164,40 3.869,41 4.104,42 5.879,43 3.965,44 4.847,45 5.082,46 3.753,47 4.062,48 5.749,49 3.895,50 4.772,51 5.033,52 3.634,53 3.972,54 5.658,55 3.794,56 0.02,57 0.787,58 11.772,59 5.615,60 5.2,61 7.49,62 0.172,63 1.396,64 23.99,65 9.959,66 16.523,67 13.588,68 0.271,69 1.806,70 37.646,71 14.433,72 45.165,73 19.468,74 0.352,75 1.874,76 41.502,77 15.601,78 55.248,79 21.198,80 0.308,81 1.675,82 39.93,83 14.644,84 47.069,85 20.178,86 0.365,87 1.466,88 33.27,89 12.528,90 56.914,91 16.735,92 0.351,93 1.342,94 34.233,95 12.082,96 50.729,97 16.109,98 0.304,99 1.267,100 31.84,101 11.439,102 57.952,103 15.856,104 10,105 50,106 0.238,107 0.559,108 0.769,109 0.866,110 0.866,111 0.866,112 3.471,113 0.996,114 -5.34,115 -5.23,116 -4.89,121 44.8,123 6,124 1,127 3,144 7,145 4,146 1,153 1,154 1,159 1,160 1,176 15,179 1,180 10,187 18,192 10,200 16,206 9,214 14,219 9,227 14,231 1,232 3,239 14,243 1,244 2,251 15,255 1,256 4,264 10,269 6,277 6,281 1596,282 21.118,283 21.118,284 21.118,285 21.118,286 21.118,287 19.037,288 24.044,289 12.291,290 21.405,291 17.292,292 17.292,293 17.292,294 17.292,295 17.292,296 13.931,297 27.131,298 5.887,299 17.78,300 4.39,301 2.412,302 1.115,303 0.517,304 0.517,305 0.517,306 4.183,308 1,312 1,313 978,314 3.317,317 65.195,318 373.936,321 239.023,322 135.293,323 149.928,325 2.196,326 27.307,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 65.333,338 436,339 4.706,340 3.75,341 6.917,342 4.255,343 3.28,344 4.657,345 1.886,346 11.635,347 3.203,348 4.088,349 3.603,350 6.06,351 3.773,352 2.776,353 3.653,354 1.277,355 8.715,356 2.783,357 4.061,358 3.085,359 5.665,360 3.706,361 2.733,362 3.543,363 0.916,364 7.927,365 2.638,366 3.682,367 3.04,368 5.65,369 3.519,370 2.547,371 2.984,372 0.172,373 7.249,374 2.48,375 3.626,376 2.861,377 5.39,378 3.294,379 2.288,380 2.828,382 7.071,383 2.299,384 3.485,385 2.451,386 5.235,387 3.13,388 2.182,389 2.707,391 6.368,392 2.111,393 3.339,394 2.319,395 5.093,396 3.102,397 2.117,398 2.497,400 6.264,401 2.004,402 3.047,403 2.142,404 4.651,405 2.738,406 1.817,407 2.118,409 5.025,410 1.608,411 2.905,412 1.967,413 4.453,414 2.486,415 1.477,416 1.966,418 4.143,419 1.48,420 2.656,421 1.488,422 4.089,423 2.224,424 1.235,425 1.725,427 3.365,428 1.215,429 2.602,430 1.281,431 3.645,432 2.168,433 1.185,434 1.595,436 2.597,437 1.142,438 2.333,439 1.145,440 3.482,441 1.984,442 1,443 1.269,445 2.288,446 0.983,447 2,448 1.086,449 3.414,450 1.898,451 0.911,452 1,454 2.275,455 0.897,456 1.755,457 1.077,458 3.136,459 1.586,460 0.561,461 0.631,463 1.316,464 0.571,465 1.647,466 0.811,467 2.931,468 1.235,469 0.202,470 0.273,472 0.494,473 0.206,474 15.181,475 0.49,476 0.78,477 0.025,478 36.75,479 1.185,480 17,481 0.548,482 19.75,483 0.637,484 30.274,485 0.977,486 32.819,487 0.566,488 25.514,489 0.823,490 6.666,491 0.215,492 8.398,493 0.271,494 0.091,496 0.349,501 0.572,502 1.248,503 0.665,504 0.991,505 0.469,506 0.937,507 0.685,508 1.102,509 0.763,510 0.948,511 0.499,512 0.955,513 0.971,514 1.079,515 0.957,516 1.045,517 0.891,518 1.049,519 1.012,520 0.976,521 0.868,522 0.96,523 1.057,524 0.99,525 0.772,526 1.003,527 0.917,528 1.06,529 0.819,530 1.026,531 1.181,532 0.932,533 0.829,534 0.916,535 1.481,536 0.96,537 1.147,538 0.991,539 1.253,540 1.098,541 1.246,542 1.122,543 0.586,544 0.976,545 1.074,546 1.064,547 0.442,548 1.041,549 6.5,550 0.176,551 3.333,552 1.875,553 1.888,554 0.813,555 0.574,556 0.416,557 0.271,558 0.153,559 15880,560 39662,561 2.16,562 46.6,563 5,564 13,565 1,568 4,569 4,572 1.728,573 2.044,574 3.736,575 -0.831,582 85.17,583 1.468,584 3.446,585 4.743,586 5.341,587 5.341,588 5.341,589 3.232,590 4.632,591 4.927,592 3.945,593 1834.62,594 8.559,595 27524.7,600 339.763,601 1.332,602 4.896,603 0.186,604 0.007,605 0.067,606 0.038,607 0.044,608 0.023,609 0.017,610 0.014,611 0.01,612 0.006,613 0.411,614 0.33,615 0.88,616 0.486,617 164.815,618 0.008,619 -0.116,620 0.041,621 -0.013,622 0.013,623 0.021,624 0.026,625 0.009,626 0.011,627 0.006,628 0.042,629 -0.003,630 -0.077,631 -0.062,632 -0.074,633 -0.075,634 -0.013,635 -0.077,636 -0.069,637 -0.003,638 -0.009,639 0.004,640 -0.044,641 -0.01,642 0.05,643 -0.059,644 0.006,645 -0.077,646 0.022,647 -0.023,648 -0.036,649 0.019,650 0.025,651 0.047,652 -0.109,653 0.014,654 -0.083,655 -0.05,656 -0.164,657 -0.093,658 -0.133,659 -0.127,660 0.138,661 -0.039,662 -0.034,663 -0.058,664 0.184,665 -0.021,666 1.525,667 5.929,668 0.774,669 34.595,670 0.994,671 1.117,672 4.114,673 16.926,674 0.684,675 3.584,676 3.932,677 4.22,678 4.511,679 4.771,680 4.86,681 5.004,682 5.159,683 5.182,684 5.209,685 8.206,686 0.64,687 435,688 3.584,689 5.142,690 6.004,691 6.893,692 7.771,693 8.665,694 9.551,695 10.449,696 11.342,697 12.243,698 3.4,701 1,706 1,714 2,715 8,720 4,721 1,722 16,727 1,740 1,741 58,743 18,744 2,745 35,747 62,748 26,749 14,750 6,751 6,752 2,756 5,757 9,758 1,767 4,768 1,770 6,772 16,773 10,774 1,777 2,782 2,786 2,793 27,794 3,796 5,797 1,802 2,808 0.6,809 2,824 1,828 1,829 4,832 2,833 1,834 1,855 1,859 3,865 1,868 31,876 9,880 1,881 1,892 1,893 3.4,896 2,901 15.167,902 10.376,903 6.639,904 3.857,907 3.001,908 1.361,909 1.015,910 5.792,911 11.323,912 3.829,913 4.428,914 5.021,915 5.624,916 6.159,917 6.499,918 6.895,919 7.269,920 7.34,921 7.494,922 1,923 50,924 11.571,926 5.082,927 0.026,929 7.638,931 22.731,933 19.842,936 2.138,937 66.278,941 317.82,942 124.518,943 5.023,944 39.149,945 50.29,948 124.518,949 407.258,950 5.023,952 21.524,953 75.381,954 60.128,955 20.654,956 13.915,957 306.049,958 39.149,959 317.82,960 129.541,961 50.29,962 39.149,964 270.735,965 97.374,968 26.548,969 102.994,970 39.149,972 317.82,973 55.313,974 163.667,977 317.82,978 49.137,979 80.405,981 89.438,982 317.82,983 55.313,984 163.667,986 0.589,987 0.343,988 0.185,989 0.104,990 26,991 11,992 0.097,993 6,994 3,995 1.208,996 4.403,997 281.052,998 0.25,999 23,1000 149.58,1005 20.632,1006 8.703,1007 4.385,1008 1.989,1009 53.414,1010 15.858,1015 3.977,1016 1.736,1018 536.8,1019 45,1024 24.986,1028 0.368,1031 57.669,1032 64.757,1034 0.251,1035 0.588,1036 0.81,1037 0.912,1038 0.912,1039 0.912,1040 5.088,1041 1.817,1042 5.994,1043 6.264,1044 4.615,1045 5.115,1046 2.442,1047 6.81,1048 4.567,1049 6.288,1050 1.477,1051 7.553,1052 5.025,1053 4.205,1054 4.977,1055 1.668,1056 7.698,1057 4.115,1058 7.598,1059 1.235,1060 9.208,1061 4.143,1062 6.217,1063 7.317,1064 3.165,1065 10.811,1066 6.129,1067 8.941,1068 1.185,1069 10.921,1070 3.365,1071 6.608,1072 8.039,1073 3.005,1074 12.562,1075 6.489,1076 10.319,1077 1,1078 12.671,1079 2.597,1080 8.092,1081 9.876,1082 4.135,1083 15.211,1084 7.966,1085 11.721,1086 0.911,1087 14.45,1088 2.288,1089 8.87,1090 11.018,1091 4.336,1092 17.36,1093 8.716,1094 13.145,1095 0.561,1096 16.252,1097 2.275,1098 10.143,1099 12.661,1100 5.244,1101 19.863,1102 9.976,1103 3.28,1104 0.202,1105 18.072,1106 1.316,1107 11.116,1108 14.01,1109 5.649,1110 22.189,1111 10.923,1112 2.776,1113 11.635,1114 19.908,1115 0.494,1116 12.308,1117 15.579,1118 6.429,1119 24.65,1120 12.097,1121 2.733,1122 8.715,1123 21.758,1124 4.657,1125 13.38,1126 17.027,1127 6.945,1128 27.051,1129 13.143,1130 2.547,1131 7.927,1132 23.62,1133 3.653,1134 14.546,1135 18.57,1136 7.656,1137 29.502,1138 14.288,1139 2.288,1140 7.249,1141 25.493,1142 3.543,1143 15.668,1144 20.065,1145 8.229,1146 31.933,1147 15.383,1148 2.182,1149 7.071,1150 27.374,1151 2.984,1152 16.83,1153 21.6,1154 8.903,1155 34.383,1156 16.522,1157 2.117,1158 6.368,1159 29.263,1160 2.828,1161 17.978,1162 23.116,1163 9.506,1164 36.827,1165 17.644,1166 14506,1167 23056,1168 23.868,1169 39.676,1170 53.294,1171 55.22,1172 53.906,1173 52.985,1174 52.7,1175 66.98,1176 8.504,1177 153.664,1178 51.317,1179 5.706,1180 5.75,1181 6.473,1182 5.294,1183 5.28,1184 7.657,1185 3.272,1186 18.835,1187 5.203,1188 13.098,1189 1.523,1190 1.578,1191 1.54,1192 1.514,1193 1.506,1194 1.914,1195 0.243,1196 4.39,1197 1.466,1198 4.182,1199 4.21,1200 4.149,1201 4.095,1202 7.429,1203 4.104,1204 3.96,1205 4.005,1206 4.003,1207 3.882,1208 7.425,1209 3.874,1210 3.836,1211 3.875,1212 3.761,1213 3.737,1214 4.941,1215 3.727,1216 3.64,1217 3.673,1218 3.582,1219 3.487,1220 4.879,1221 3.501,1222 3.475,1223 3.525,1224 3.381,1225 3.359,1226 4.392,1227 3.349,1228 3.368,1229 3.428,1230 3.343,1231 3.215,1232 4.262,1233 3.215,1234 3.169,1235 3.224,1236 3.209,1237 3.018,1238 4.172,1239 3.012,1240 3.111,1241 3.206,1242 3.007,1243 2.941,1244 3.926,1245 2.91,1246 0.134,1247 0.107,1248 0.198,1249 0.122,1250 0.094,1251 4.706,1252 0.133,1253 3.75,1254 0.054,1255 6.917,1256 0.332,1257 4.255,1258 0.092,1259 3.28,1260 4.657,1261 1.886,1262 11.635,1263 3.203,1264 2.012,1265 1.992,1266 2.111,1267 2.108,1268 1.485,1269 2.107,1270 1.929,1271 1.896,1272 2.073,1273 2.059,1274 1.337,1275 2.07,1276 1.837,1277 1.791,1278 1.983,1279 1.942,1280 1.167,1281 1.962,1282 1.662,1283 1.624,1284 1.815,1285 1.829,1286 1.041,1287 1.824,1288 1.489,1289 1.439,1290 1.709,1291 1.666,1292 0.934,1293 1.683,1294 1.249,1295 1.192,1296 1.513,1297 1.441,1298 0.825,1299 1.46,1300 1.164,1301 1.097,1302 1.482,1303 1.376,1304 0.681,1305 1.429,1306 1.153,1307 1.064,1308 1.426,1309 1.372,1310 0.593,1311 1.393,1312 4.263,1314 5.602,1315 2.398,1316 7.133,1317 4.727,1318 8.755,1319 6.88,1320 10.428,1323 6.103,1328 8.17,1332 0.611,1333 2.481,1340 37.148,1341 85.17,1342 199.891,1343 275.092,1344 309.763,1345 309.763,1346 309.763,1347 55.03,1348 8.322,1349 42.31,1350 42.31,1351 29,1352 12.766,1353 4.248,1354 3.459,1355 44.12,1356 156,1357 138,1358 0.136,1359 226.772,1360 394.89,1361 545.083,1362 57196,1363 1.7,1364 21.372,1365 0.689,1366 0.594,1367 21.872,1368 18.405,1369 15.064,1370 0.43,1371 0.332,1372 11.185,1373 14.424,1374 10.915,1375 8.937,1376 15.352,1377 11.616,1378 13.94,1379 0.279,1380 0.188,1381 14.348,1382 9.4,1383 11.902,1384 0.178,1385 0.106,1386 12.164,1387 7.078,1388 10.047,1389 0.112,1390 0.059,1391 10.316,1392 5.31,1393 8.436,1394 0.072,1395 0.034,1396 8.602,1397 3.92,1398 0.223,1399 95.862,1400 0.205,1401 29.811,1402 0.35,1403 170,1404 424.965,1405 194.667,1406 445.231,1407 600.38,1408 416,1409 202,1410 416.121,1411 221.74,1412 433.578,1413 637.5,1414 410,1415 8.31}
{0 CHEMBL1651135,1 1.468,2 14.645,3 5.755,4 33.118,5 124.697,6 7.5,7 0.457,8 4.148,9 4.262,10 3.735,11 3.765,12 5.139,13 3.718,14 4.745,15 4.917,16 4.134,17 4.216,18 5.687,19 4.141,20 5.072,21 5.284,22 4.186,23 4.386,24 6.013,25 4.269,26 5.14,27 5.386,28 4.028,29 4.339,30 6.03,31 4.193,32 5.04,33 5.307,34 3.884,35 4.205,36 5.886,37 4.047,38 4.925,39 5.164,40 3.828,41 4.095,42 5.891,43 3.954,44 4.837,45 5.084,46 3.73,47 4.039,48 5.707,49 3.877,50 4.775,51 5.033,52 3.707,53 3.988,54 5.673,55 3.813,56 0.02,57 0.787,58 11.772,59 5.615,60 5.2,61 7.49,62 0.172,63 1.396,64 23.99,65 9.959,66 16.412,67 13.588,68 0.271,69 1.806,70 37.646,71 14.433,72 45.741,73 19.468,74 0.362,75 1.876,76 41.796,77 15.598,78 56.266,79 21.199,80 0.239,81 1.693,82 36.736,83 14.48,84 42.611,85 20.113,86 0.422,87 1.459,88 34.828,89 12.537,90 60.362,91 16.747,92 0.305,93 1.362,94 30.371,95 11.777,96 46.139,97 15.999,98 0.305,99 1.26,100 32.511,101 11.518,102 57.177,103 15.882,104 10,105 50,106 0.238,107 0.559,108 0.758,109 0.843,110 0.843,111 0.843,112 3.471,113 0.996,114 -5.34,115 -5.23,116 -4.89,121 44.8,123 6,124 1,127 3,144 7,145 4,146 1,153 1,154 1,159 1,160 1,176 15,179 1,180 10,187 18,192 10,200 16,206 10,214 14,219 7,227 14,231 1,232 4,239 16,243 1,244 2,251 12,255 1,256 4,264 11,269 6,277 6,281 1613,282 21.118,283 21.118,284 21.118,285 21.118,286 21.118,287 19.037,288 24.044,289 12.257,290 21.405,291 17.276,292 17.276,293 17.276,294 17.276,295 17.276,296 13.925,297 26.16,298 5.873,299 17.772,300 4.39,301 2.412,302 1.184,303 0.655,304 0.655,305 0.655,306 4.183,308 1,312 1,313 1019,314 3.317,317 65.565,318 375.963,321 240.406,322 136.091,323 150.798,325 2.26,326 27.108,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 65.333,338 454,339 4.706,340 3.75,341 6.917,342 4.255,343 3.28,344 4.657,345 1.886,346 11.635,347 3.203,348 4.088,349 3.603,350 6.06,351 3.772,352 2.77,353 3.62,354 1.277,355 8.715,356 2.783,357 4.032,358 3.053,359 5.656,360 3.693,361 2.722,362 3.543,363 0.916,364 7.82,365 2.632,366 3.685,367 3.04,368 5.626,369 3.507,370 2.533,371 2.984,372 0.172,373 7.236,374 2.475,375 3.637,376 2.878,377 5.356,378 3.294,379 2.292,380 2.828,382 6.983,383 2.299,384 3.486,385 2.491,386 5.235,387 3.147,388 2.208,389 2.785,391 6.367,392 2.111,393 3.411,394 2.319,395 5.079,396 3.111,397 2.119,398 2.555,400 6.22,401 2.012,402 3.072,403 2.172,404 4.784,405 2.82,406 1.895,407 2.126,409 5.383,410 1.68,411 2.906,412 1.967,413 4.453,414 2.487,415 1.478,416 1.964,418 4.144,419 1.482,420 2.604,421 1.488,422 4.089,423 2.222,424 1.232,425 1.596,427 3.365,428 1.215,429 2.5,430 1.145,431 3.645,432 2,433 1,434 1.5,436 2.288,437 1,438 2.333,439 1.099,440 3.414,441 1.984,442 1,443 1.269,445 2.275,446 0.983,447 2,448 1.077,449 3.414,450 1.898,451 0.911,452 1,454 2.275,455 0.897,456 1.766,457 1,458 3.144,459 1.595,460 0.576,461 0.646,463 1.351,464 0.58,465 1.647,466 0.812,467 2.934,468 1.238,469 0.224,470 0.284,472 0.543,473 0.216,474 15.181,475 0.49,476 0.78,477 0.025,478 36.75,479 1.185,480 17,481 0.548,482 19.75,483 0.637,484 30.136,485 0.972,486 32.819,487 0.566,488 25.509,489 0.823,490 6.666,491 0.215,492 8.398,493 0.271,494 0.091,496 0.349,501 0.572,502 1.248,503 0.665,504 0.991,505 0.469,506 0.937,507 0.685,508 1.102,509 0.763,510 0.948,511 0.5,512 0.955,513 0.971,514 1.079,515 0.957,516 1.045,517 0.885,518 1.049,519 1.027,520 0.982,521 0.915,522 0.991,523 1.071,524 1.017,525 0.683,526 0.991,527 0.688,528 0.967,529 0.757,530 0.966,531 1.2,532 0.951,533 0.968,534 1.007,535 1.513,536 1.024,537 0.928,538 0.987,539 0.858,540 0.979,541 1.133,542 1.04,543 0.623,544 0.968,545 1.112,546 1.05,547 0.454,548 1.024,549 6.5,550 0.193,551 3.556,552 1.625,553 1.968,554 0.757,555 0.574,556 0.463,557 0.238,558 0.169,559 15992,560 40302,561 2.16,562 46.6,563 5,564 13,565 1,568 4,569 4,572 1.728,573 2.044,574 3.78,575 -0.831,582 85.17,583 1.468,584 3.446,585 4.674,586 5.203,587 5.203,588 5.203,589 3.245,590 4.503,591 4.926,592 3.968,593 1845.35,594 8.556,595 27720.5,600 339.763,601 1.332,602 4.896,603 0.186,604 0.008,605 0.071,606 0.032,607 0.047,608 0.021,609 0.017,610 0.016,611 0.008,612 0.006,613 0.414,614 0.33,615 0.88,616 0.486,617 165.022,618 0.008,619 -0.116,620 0.041,621 -0.013,622 0.013,623 0.021,624 0.026,625 0.009,626 0.011,627 0.006,628 0.041,629 -0.003,630 -0.077,631 -0.062,632 -0.074,633 -0.075,634 -0.007,635 -0.077,636 -0.084,637 -0.009,638 -0.057,639 -0.029,640 -0.057,641 -0.037,642 0.049,643 -0.041,644 0.088,645 -0.004,646 0.042,647 0.033,648 -0.02,649 -0.002,650 -0.059,651 -0.038,652 -0.124,653 -0.05,654 -0.011,655 -0.036,656 -0.012,657 -0.007,658 -0.088,659 -0.051,660 0.141,661 -0.034,662 -0.006,663 -0.034,664 0.19,665 -0.002,666 1.524,667 5.926,668 0.774,669 35.197,670 0.994,671 1.117,672 4.114,673 16.926,674 0.684,675 3.584,676 3.932,677 4.22,678 4.5,679 4.779,680 4.852,681 5.011,682 5.159,683 5.17,684 5.22,685 8.282,686 0.64,687 435,688 3.584,689 5.142,690 6.004,691 6.891,692 7.77,693 8.661,694 9.55,695 10.445,696 11.339,697 12.238,698 3.4,701 1,706 1,714 2,715 8,720 4,721 1,722 16,727 1,740 1,741 58,743 18,744 2,745 35,747 62,748 26,749 14,750 6,751 6,752 2,756 5,757 9,758 1,767 4,768 1,770 6,772 16,773 10,774 1,777 2,782 2,786 2,793 27,794 3,796 5,797 1,802 2,808 0.6,809 2,824 1,828 1,829 4,832 2,833 1,834 1,855 1,859 3,865 1,868 31,876 9,880 1,881 1,892 1,893 3.4,896 2,901 15.167,902 10.376,903 6.639,904 3.857,907 2.992,908 1.36,909 1.015,910 5.792,911 11.314,912 3.829,913 4.428,914 5.021,915 5.616,916 6.168,917 6.494,918 6.899,919 7.268,920 7.336,921 7.498,922 0.9,923 50,924 11.569,926 5.08,927 0.026,929 7.638,931 22.731,933 19.842,936 2.138,937 66.278,941 317.82,942 124.518,943 5.023,944 39.149,945 50.29,948 124.518,949 407.258,950 5.023,952 21.524,953 75.381,954 60.128,955 20.654,956 13.915,957 306.049,958 39.149,959 317.82,960 129.541,961 50.29,962 39.149,964 270.735,965 97.374,968 26.548,969 102.994,970 39.149,972 317.82,973 55.313,974 163.667,977 317.82,978 49.137,979 80.405,981 89.438,982 317.82,983 55.313,984 163.667,986 0.591,987 0.344,988 0.181,989 0.106,990 26,991 11,992 0.097,993 6,994 3,995 1.208,996 4.415,997 280.401,998 0.25,999 23,1000 145.58,1005 20.632,1006 8.703,1007 4.385,1008 1.991,1009 53.414,1010 15.869,1015 4.005,1016 1.736,1018 536.8,1019 45,1024 24.982,1028 0.371,1031 57.669,1032 64.757,1034 0.251,1035 0.588,1036 0.798,1037 0.888,1038 0.888,1039 0.888,1040 5.088,1041 1.895,1042 5.994,1043 6.22,1044 4.615,1045 5.115,1046 2.442,1047 6.808,1048 4.567,1049 6.288,1050 1.478,1051 7.553,1052 5.383,1053 4.205,1054 4.977,1055 1.668,1056 7.698,1057 4.115,1058 7.598,1059 1.232,1060 9.208,1061 4.144,1062 6.217,1063 7.317,1064 3.165,1065 10.804,1066 6.129,1067 8.941,1068 1,1069 10.92,1070 3.365,1071 6.608,1072 8.039,1073 3.005,1074 12.558,1075 6.489,1076 10.319,1077 1,1078 12.669,1079 2.288,1080 8.09,1081 9.874,1082 4.135,1083 15.203,1084 7.965,1085 11.721,1086 0.911,1087 14.448,1088 2.275,1089 8.866,1090 11.014,1091 4.336,1092 17.355,1093 8.715,1094 13.144,1095 0.576,1096 16.249,1097 2.275,1098 10.138,1099 12.657,1100 5.244,1101 19.857,1102 9.974,1103 3.28,1104 0.224,1105 18.068,1106 1.351,1107 11.11,1108 14.006,1109 5.649,1110 22.185,1111 10.92,1112 2.77,1113 11.635,1114 19.904,1115 0.543,1116 12.302,1117 15.575,1118 6.429,1119 24.646,1120 12.094,1121 2.722,1122 8.715,1123 21.754,1124 4.657,1125 13.372,1126 17.023,1127 6.945,1128 27.048,1129 13.14,1130 2.533,1131 7.82,1132 23.616,1133 3.62,1134 14.539,1135 18.566,1136 7.656,1137 29.5,1138 14.285,1139 2.292,1140 7.236,1141 25.488,1142 3.543,1143 15.661,1144 20.061,1145 8.229,1146 31.932,1147 15.381,1148 2.208,1149 6.983,1150 27.37,1151 2.984,1152 16.824,1153 21.596,1154 8.903,1155 34.382,1156 16.52,1157 2.119,1158 6.367,1159 29.259,1160 2.828,1161 17.972,1162 23.113,1163 9.506,1164 36.826,1165 17.642,1166 14610,1167 23328,1168 23.868,1169 39.676,1170 53.39,1171 55.49,1172 53.91,1173 53.044,1174 52.82,1175 67.13,1176 8.504,1177 154.007,1178 51.444,1179 5.706,1180 5.75,1181 6.331,1182 5.294,1183 5.28,1184 7.657,1185 3.272,1186 18.835,1187 5.203,1188 13.191,1189 1.525,1190 1.585,1191 1.54,1192 1.516,1193 1.509,1194 1.918,1195 0.243,1196 4.4,1197 1.47,1198 4.182,1199 4.21,1200 4.149,1201 4.095,1202 7.429,1203 4.104,1204 3.96,1205 4.005,1206 4,1207 3.881,1208 7.425,1209 3.874,1210 3.836,1211 3.875,1212 3.764,1213 3.737,1214 4.943,1215 3.727,1216 3.641,1217 3.673,1218 3.585,1219 3.487,1220 4.879,1221 3.501,1222 3.475,1223 3.525,1224 3.4,1225 3.359,1226 4.401,1227 3.349,1228 3.368,1229 3.428,1230 3.347,1231 3.217,1232 4.241,1233 3.217,1234 3.172,1235 3.224,1236 3.2,1237 3.03,1238 4.17,1239 3.022,1240 3.111,1241 3.206,1242 2.957,1243 2.941,1244 3.921,1245 2.91,1246 0.134,1247 0.107,1248 0.198,1249 0.122,1250 0.094,1251 4.706,1252 0.133,1253 3.75,1254 0.054,1255 6.917,1256 0.332,1257 4.255,1258 0.092,1259 3.28,1260 4.657,1261 1.886,1262 11.635,1263 3.203,1264 2.012,1265 1.992,1266 2.111,1267 2.108,1268 1.485,1269 2.107,1270 1.93,1271 1.896,1272 2.073,1273 2.059,1274 1.337,1275 2.07,1276 1.837,1277 1.791,1278 1.983,1279 1.941,1280 1.167,1281 1.962,1282 1.662,1283 1.624,1284 1.815,1285 1.829,1286 1.041,1287 1.824,1288 1.488,1289 1.439,1290 1.708,1291 1.666,1292 0.934,1293 1.683,1294 1.248,1295 1.192,1296 1.513,1297 1.439,1298 0.825,1299 1.458,1300 1.161,1301 1.098,1302 1.478,1303 1.376,1304 0.677,1305 1.429,1306 1.153,1307 1.064,1308 1.411,1309 1.368,1310 0.593,1311 1.388,1312 4.263,1314 5.602,1315 2.398,1316 7.133,1317 4.727,1318 8.754,1319 6.88,1320 10.425,1323 5.978,1328 8.237,1332 0.617,1333 2.492,1340 37.148,1341 85.17,1342 199.891,1343 271.092,1344 301.763,1345 301.763,1346 301.763,1347 54.834,1348 8.322,1349 42.31,1350 42.31,1351 29,1352 12.762,1353 4.248,1354 3.459,1355 44.139,1356 157,1357 161,1358 0.135,1359 226.772,1360 394.89,1361 545.083,1362 57196,1363 1.7,1364 21.372,1365 0.689,1366 0.594,1367 21.872,1368 18.405,1369 15.064,1370 0.43,1371 0.332,1372 11.185,1373 14.424,1374 10.916,1375 8.935,1376 15.352,1377 11.616,1378 13.928,1379 0.279,1380 0.188,1381 14.336,1382 9.397,1383 11.992,1384 0.179,1385 0.106,1386 12.281,1387 7.119,1388 9.838,1389 0.111,1390 0.058,1391 10.004,1392 5.177,1393 8.59,1394 0.073,1395 0.034,1396 8.826,1397 4.007,1398 0.221,1399 95.862,1400 0.205,1401 29.861,1402 0.347,1403 170,1404 424.965,1405 194.667,1406 445.166,1407 600.36,1408 416,1409 202,1410 416.121,1411 221.74,1412 433.442,1413 637.23,1414 410,1415 6.82}
{0 CHEMBL1651136,1 1.4,2 14.156,3 5.074,4 25.745,5 126.356,6 6.945,7 0.444,8 4.212,9 4.328,10 3.734,11 3.784,12 5.207,13 3.745,14 4.808,15 4.986,16 4.103,17 4.221,18 5.732,19 4.157,20 5.103,21 5.314,22 4.184,23 4.398,24 6.033,25 4.299,26 5.202,27 5.438,28 4.087,29 4.395,30 6.104,31 4.264,32 5.15,33 5.412,34 3.944,35 4.296,36 5.991,37 4.14,38 5.066,39 5.318,40 3.866,41 4.176,42 5.987,43 4.042,44 4.951,45 5.193,46 3.701,47 4.119,48 5.807,49 3.959,50 4.93,51 5.216,52 3.619,53 4.053,54 5.729,55 3.866,56 0.029,57 0.855,58 13.637,59 6.18,60 7.077,61 8.231,62 0.238,63 1.484,64 26.615,65 10.55,66 19.861,67 14.469,68 0.271,69 1.888,70 36.778,71 14.505,72 42.3,73 19.936,74 0.447,75 1.992,76 41.92,77 15.939,78 57.109,79 21.982,80 0.271,81 1.874,82 39.814,83 15.539,84 45.114,85 21.947,86 0.482,87 1.672,88 37.555,89 13.531,90 62.744,91 18.606,92 0.373,93 1.519,94 32.72,95 12.691,96 50.024,97 17.467,98 0.309,99 1.491,100 32.259,101 12.729,102 57.265,103 18.375,104 11,105 51,106 0.224,107 0.547,108 0.769,109 0.858,110 0.863,111 0.863,112 3.502,113 0.972,114 -4.56,115 -4.48,116 -4.22,121 43.5,123 6,124 1,126 1,127 3,144 7,145 4,146 1,153 1,154 1,159 1,160 1,176 15,179 1,180 12,187 16,192 11,200 14,205 1,206 11,214 13,219 8,227 12,231 1,232 5,239 15,243 1,244 3,251 13,255 1,256 5,264 9,269 7,277 6,281 1706,282 22.041,283 22.041,284 22.041,285 22.041,286 22.041,287 19.984,288 25.27,289 12.833,290 22.363,291 17.708,292 17.708,293 17.708,294 17.708,295 17.708,296 14.331,297 28.446,298 6.016,299 18.108,300 4.554,301 2.537,302 1.152,303 0.593,304 0.561,305 0.561,306 4.213,311 1,312 1,313 1011,314 3.464,317 67.852,318 386.665,321 248.493,322 140.552,323 155.736,325 2.219,326 27.516,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 68,338 453,339 4.706,340 3.75,341 6.917,342 4.255,343 3.28,344 4.657,345 1.886,346 11.635,347 3.203,348 4.207,349 3.603,350 6.16,351 3.85,352 2.885,353 3.805,354 1.277,355 9.125,356 2.791,357 4.088,358 3.194,359 6.06,360 3.766,361 2.755,362 3.543,363 0.916,364 8.715,365 2.77,366 3.681,367 3.04,368 5.654,369 3.562,370 2.587,371 2.984,372 0.86,373 7.353,374 2.528,375 3.615,376 2.804,377 5.474,378 3.295,379 2.285,380 2.828,381 0.172,382 7.183,383 2.301,384 3.484,385 2.338,386 5.235,387 3.124,388 2.15,389 2.643,391 6.369,392 2.111,393 3.203,394 2.318,395 5.127,396 3.085,397 2.111,398 2.259,400 6.337,401 2.02,402 2.922,403 1.969,404 4.455,405 2.509,406 1.542,407 2.086,409 4.159,410 1.5,411 2.917,412 1.916,413 4.309,414 2.472,415 1.482,416 2.004,418 4,419 1.442,420 2.797,421 1.506,422 4.088,423 2.41,424 1.415,425 1.877,427 3.363,428 1.406,429 2.603,430 1.488,431 3.645,432 2.22,433 1.229,434 1.595,436 3.021,437 1.213,438 2.333,439 1.145,440 3.62,441 1.984,442 1,443 1.269,445 2.288,446 0.983,447 2,448 1.087,449 3.414,450 1.898,451 0.911,452 1,454 2.275,455 0.897,456 1.794,457 1.077,458 3.135,459 1.598,460 0.594,461 0.682,463 1.342,464 0.588,465 1.686,466 0.94,467 2.935,468 1.421,469 0.5,470 0.566,472 0.881,473 0.456,474 15.3,475 0.478,476 0.725,477 0.023,478 38,479 1.188,480 17.5,481 0.547,482 20.5,483 0.641,484 30.961,485 0.968,486 34.5,487 0.556,488 27.499,489 0.859,490 7.094,491 0.222,492 8.525,493 0.266,494 0.076,496 0.346,501 0.671,502 1.302,503 0.82,504 1.119,505 0.496,506 1.007,507 0.901,508 1.055,509 0.936,510 0.962,511 0.57,512 0.946,513 0.959,514 1.091,515 1.008,516 1.07,517 0.904,518 1.045,519 1.089,520 1.005,521 1.077,522 1.03,523 1.121,524 1.05,525 0.725,526 1.055,527 0.94,528 1.077,529 0.779,530 1.042,531 1.326,532 0.874,533 1.058,534 0.913,535 1.472,536 0.948,537 1.074,538 1.028,539 1.167,540 1.092,541 1.176,542 1.141,543 0.386,544 0.954,545 0.846,546 0.985,547 0.318,548 0.976,549 6,550 0.193,551 3.778,552 1.75,553 2.088,554 0.875,555 0.513,556 0.475,557 0.271,558 0.133,559 17075,560 39127,561 2.154,562 48.4,563 5,564 16,565 1,568 4,569 4,572 1.737,573 2.043,574 3.74,575 -0.836,582 86.817,583 1.4,584 3.418,585 4.802,586 5.361,587 5.394,588 5.394,589 3.23,590 4.688,591 4.975,592 3.96,593 1964.39,594 8.654,595 30229.3,597 1,600 369.16,601 1.317,602 4.943,603 0.167,604 0.008,605 0.074,606 0.033,607 0.045,608 0.022,609 0.014,610 0.016,611 0.01,612 0.005,613 0.394,614 0.33,615 0.88,616 0.633,617 171.792,618 0.014,619 -0.143,620 0.073,621 -0.039,622 0.018,623 0.012,624 -0.021,625 0.059,626 0.011,627 0.05,628 0.016,629 0.038,630 -0.059,631 -0.057,632 -0.048,633 -0.066,634 0.001,635 -0.055,636 -0.065,637 -0.023,638 -0.092,639 -0.044,640 -0.064,641 -0.068,642 0.03,643 -0.103,644 0.026,645 -0.089,646 0.027,647 -0.039,648 -0.091,649 0.076,650 -0.039,651 0.05,652 -0.118,653 0.017,654 -0.081,655 -0.074,656 -0.186,657 -0.099,658 -0.123,659 -0.151,660 0.177,661 -0.026,662 0.109,663 0.005,664 0.218,665 0.042,666 1.524,667 5.966,668 0.75,669 35.707,670 0.993,671 1.12,672 3.326,673 11.066,674 0.662,675 3.611,676 3.951,677 4.263,678 4.543,679 4.804,680 4.883,681 5.03,682 5.182,683 5.209,684 5.231,685 8.342,686 0.622,687 430.59,688 3.611,689 5.165,690 6.033,691 6.921,692 7.805,693 8.698,694 9.589,695 10.485,696 11.382,697 12.281,698 3.2,701 1,706 1,714 2,715 8,720 4,721 1,722 16,727 1,739 1,741 62,743 18,744 2,745 36,747 66,748 27,749 14,750 6,751 6,752 2,756 5,757 9,767 4,768 1,770 6,772 16,773 11,774 1,777 2,782 2,786 2,793 30,794 4,796 5,802 2,808 0.6,809 3,824 1,828 1,829 4,832 2,833 1,834 1,855 1,859 3,864 1,868 32,876 9,878 1,880 1,881 1,893 4.8,896 2,898 1,901 15.667,902 11.4,903 7,904 4.036,907 3.086,908 1.367,909 1.002,910 6.057,911 11.49,912 3.85,913 4.44,914 5.051,915 5.643,916 6.178,917 6.509,918 6.914,919 7.276,920 7.35,921 7.505,922 1,923 53,924 11.945,926 5.192,927 0.026,929 7.615,931 23.48,933 20.257,936 2.115,937 67.667,940 1,941 353.133,942 137.144,943 5.023,945 61.29,948 137.144,949 414.423,950 5.023,951 10.883,952 21.524,953 75.381,954 60.128,955 33.396,956 13.915,957 341.362,959 353.133,960 142.167,961 61.29,964 306.049,965 108.374,968 26.548,969 115.62,972 353.133,973 66.313,974 137.144,977 353.133,978 50.88,979 91.288,981 61.29,982 353.133,983 66.313,984 137.144,986 0.584,987 0.352,988 0.191,989 0.106,990 26,991 11,992 0.106,993 7,994 3,995 1.208,996 4.46,997 293.625,998 0.25,999 23,1000 156,1005 21.271,1006 9.111,1007 4.369,1008 1.99,1009 64.414,1010 16,1015 4.114,1016 1.737,1018 556.59,1019 46,1024 25.04,1028 0.368,1031 61.556,1032 69.438,1034 0.235,1035 0.574,1036 0.807,1037 0.9,1038 0.906,1039 0.906,1040 5.106,1041 1.542,1042 6.019,1043 6.337,1044 4.635,1045 5.127,1046 2.563,1047 6.845,1048 4.597,1049 6.301,1050 1.482,1051 7.585,1052 4.159,1053 4.205,1054 4.977,1055 1.668,1056 7.769,1057 4.153,1058 7.611,1059 1.415,1060 9.251,1061 4,1062 6.244,1063 7.332,1064 3.21,1065 10.882,1066 6.168,1067 8.958,1068 1.229,1069 10.975,1070 3.363,1071 6.648,1072 8.068,1073 3.005,1074 12.661,1075 6.552,1076 10.341,1077 1,1078 12.738,1079 3.021,1080 8.138,1081 9.903,1082 4.148,1083 15.3,1084 8.021,1085 11.75,1086 0.911,1087 14.528,1088 2.288,1089 8.931,1090 11.056,1091 4.336,1092 17.451,1093 8.789,1094 13.18,1095 0.594,1096 16.34,1097 2.275,1098 10.205,1099 12.696,1100 5.247,1101 19.943,1102 10.043,1103 3.28,1104 0.5,1105 18.168,1106 1.342,1107 11.187,1108 14.049,1109 5.649,1110 22.261,1111 10.998,1112 2.885,1113 11.635,1114 20.009,1115 0.881,1116 12.378,1117 15.614,1118 6.43,1119 24.711,1120 12.167,1121 2.755,1122 9.125,1123 21.862,1124 4.657,1125 13.453,1126 17.061,1127 6.945,1128 27.102,1129 13.215,1130 2.587,1131 8.715,1132 23.725,1133 3.805,1134 14.617,1135 18.6,1136 7.656,1137 29.544,1138 14.355,1139 2.285,1140 7.353,1141 25.596,1142 3.543,1143 15.738,1144 20.092,1145 8.229,1146 31.967,1147 15.449,1148 2.15,1149 7.183,1150 27.475,1151 2.984,1152 16.897,1153 21.623,1154 8.903,1155 34.411,1156 16.584,1157 2.111,1158 6.369,1159 29.361,1160 2.828,1161 18.042,1162 23.137,1163 9.506,1164 36.85,1165 17.702,1166 15668,1167 23864,1168 24.561,1169 41.034,1170 54.47,1171 56.596,1172 55.55,1173 53.918,1174 53.922,1175 68.219,1176 10.224,1177 157.21,1178 52.891,1179 5.706,1180 5.75,1181 6.611,1182 5.294,1183 5.28,1184 7.657,1185 3.272,1186 18.835,1187 5.203,1188 13.382,1189 1.513,1190 1.572,1191 1.543,1192 1.498,1193 1.498,1194 1.895,1195 0.284,1196 4.367,1197 1.469,1198 4.182,1199 4.21,1200 4.148,1201 4.095,1202 7.429,1203 4.104,1204 3.965,1205 4.008,1206 3.89,1207 3.871,1208 7.425,1209 3.87,1210 3.839,1211 3.879,1212 3.732,1213 3.733,1214 4.888,1215 3.725,1216 3.641,1217 3.673,1218 3.572,1219 3.486,1220 4.854,1221 3.501,1222 3.475,1223 3.525,1224 3.358,1225 3.359,1226 4.395,1227 3.349,1228 3.367,1229 3.429,1230 3.246,1231 3.212,1232 4.315,1233 3.212,1234 3.249,1235 3.315,1236 3.065,1237 3.012,1238 4.173,1239 3.01,1240 3.165,1241 3.224,1242 3.041,1243 2.959,1244 3.929,1245 2.967,1246 0.131,1247 0.104,1248 0.192,1249 0.118,1250 0.091,1251 4.706,1252 0.129,1253 3.75,1254 0.052,1255 6.917,1256 0.323,1257 4.255,1258 0.089,1259 3.28,1260 4.657,1261 1.886,1262 11.635,1263 3.203,1264 2.012,1265 1.992,1266 2.111,1267 2.108,1268 1.485,1269 2.107,1270 1.929,1271 1.896,1272 2.074,1273 2.064,1274 1.337,1275 2.071,1276 1.837,1277 1.792,1278 1.995,1279 1.959,1280 1.169,1281 1.973,1282 1.662,1283 1.624,1284 1.816,1285 1.83,1286 1.041,1287 1.824,1288 1.489,1289 1.439,1290 1.711,1291 1.669,1292 0.934,1293 1.686,1294 1.25,1295 1.191,1296 1.573,1297 1.514,1298 0.825,1299 1.533,1300 1.197,1301 1.125,1302 1.513,1303 1.443,1304 0.687,1305 1.462,1306 1.163,1307 1.094,1308 1.487,1309 1.376,1310 0.594,1311 1.429,1312 4.29,1314 5.624,1315 2.398,1316 7.159,1317 4.727,1318 8.786,1319 6.88,1320 10.464,1322 1.726,1328 8.113,1330 5.486,1332 0.605,1333 2.487,1340 38.562,1341 86.817,1342 211.891,1343 297.734,1344 332.405,1345 334.405,1346 334.405,1347 56.819,1348 8.404,1349 51.54,1350 51.54,1351 29,1352 12.804,1353 4.248,1354 3.459,1355 46.197,1356 165,1357 136,1358 0.136,1359 232.027,1360 405.77,1361 557.907,1362 63819,1364 22.079,1365 0.69,1366 0.584,1367 22.079,1368 18.679,1369 15.619,1370 0.434,1371 0.324,1372 11.543,1373 15.135,1374 11.267,1375 9.269,1376 15.619,1377 11.668,1378 14.015,1379 0.275,1380 0.179,1381 14.015,1382 9.146,1383 12.417,1384 0.177,1385 0.102,1386 12.417,1387 7.135,1388 10.362,1389 0.111,1390 0.057,1391 10.362,1392 5.278,1393 8.772,1394 0.072,1395 0.033,1396 8.772,1397 3.945,1398 0.221,1399 97.131,1400 0.202,1401 30.553,1402 0.349,1403 174,1404 446.497,1405 186.026,1406 429.196,1407 589.92,1408 404,1409 208,1410 430.804,1411 220.972,1412 438.228,1413 644.34,1414 413,1415 7.19}
{0 CHEMBL1651137,1 1.4,2 14.75,3 5.074,4 25.745,5 126.356,6 6.945,7 0.444,8 4.212,9 4.328,10 3.734,11 3.784,12 5.207,13 3.745,14 4.808,15 4.986,16 4.103,17 4.221,18 5.735,19 4.157,20 5.103,21 5.314,22 4.167,23 4.398,24 6.033,25 4.294,26 5.196,27 5.439,28 4.062,29 4.386,30 6.082,31 4.25,32 5.134,33 5.398,34 3.915,35 4.275,36 5.977,37 4.117,38 5.009,39 5.255,40 3.841,41 4.151,42 5.938,43 4.013,44 4.948,45 5.2,46 3.719,47 4.084,48 5.801,49 3.936,50 4.866,51 5.123,52 3.652,53 4.041,54 5.725,55 3.877,56 0.029,57 0.855,58 13.637,59 6.18,60 6.966,61 8.231,62 0.238,63 1.484,64 26.615,65 10.55,66 20.256,67 14.469,68 0.283,69 1.888,70 36.796,71 14.51,72 43.358,73 19.941,74 0.359,75 1.987,76 41.522,77 15.96,78 54.48,79 22.197,80 0.347,81 1.829,82 39.416,83 15.313,84 47.21,85 21.585,86 0.378,87 1.601,88 34.906,89 13.13,90 56.692,91 18.127,92 0.413,93 1.505,94 33.083,95 12.221,96 50.751,97 16.929,98 0.321,99 1.413,100 29.892,101 11.832,102 56.001,103 16.69,104 11,105 51,106 0.224,107 0.547,108 0.774,109 0.863,110 0.863,111 0.863,112 3.502,113 0.972,114 -4.56,115 -4.48,116 -4.22,121 43.5,123 6,124 1,126 1,127 3,144 7,145 4,146 1,153 1,154 1,159 1,160 1,176 15,179 1,180 12,187 16,192 12,200 14,206 10,214 13,218 1,219 8,227 14,231 1,232 3,239 14,243 1,244 4,251 13,255 1,256 5,264 9,269 7,277 5,281 1738,282 21.988,283 21.988,284 21.988,285 21.988,286 21.988,287 19.959,288 26.756,289 12.793,290 22.318,291 17.72,292 17.72,293 17.72,294 17.72,295 17.72,296 14.354,297 31.478,298 6.033,299 18.129,300 4.554,301 2.537,302 1.12,303 0.561,304 0.561,305 0.561,306 4.213,311 1,312 1,313 1054,314 3.464,317 68.52,318 390.054,321 250.976,322 141.977,323 157.292,325 2.281,326 27.377,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 68,338 472,339 4.706,340 3.75,341 6.917,342 4.255,343 3.28,344 4.657,345 1.886,346 11.635,347 3.203,348 4.089,349 3.603,350 6.06,351 3.775,352 2.783,353 3.674,354 1.277,355 8.715,356 2.783,357 4.082,358 3.061,359 5.692,360 3.726,361 2.741,362 3.543,363 0.916,364 8.019,365 2.674,366 3.685,367 3.04,368 5.653,369 3.545,370 2.57,371 2.984,372 0.86,373 7.287,374 2.513,375 3.635,376 2.812,377 5.435,378 3.298,379 2.296,380 2.828,381 0.172,382 7.158,383 2.301,384 3.485,385 2.445,386 5.235,387 3.176,388 2.21,389 2.733,391 6.489,392 2.118,393 3.377,394 2.319,395 5.176,396 3.113,397 2.118,398 2.525,400 6.367,401 2.094,402 3.065,403 2.146,404 4.792,405 2.827,406 1.876,407 2.128,409 5.361,410 1.776,411 2.907,412 1.967,413 4.453,414 2.488,415 1.478,416 1.969,418 4.143,419 1.484,420 2.668,421 1.488,422 4.089,423 2.228,424 1.239,425 1.74,427 3.366,428 1.221,429 2.603,430 1.336,431 3.645,432 2.196,433 1.205,434 1.595,436 2.635,437 1.192,438 2.333,439 1.145,440 3.497,441 1.984,442 1,443 1.269,445 2.288,446 0.983,447 2,448 1.086,449 3.414,450 1.898,451 0.911,452 1,454 2.275,455 0.897,456 1.756,457 1.077,458 3.139,459 1.586,460 0.562,461 0.631,463 1.317,464 0.572,465 1.647,466 0.936,467 2.933,468 1.295,469 0.43,470 0.482,472 0.627,473 0.368,474 15.3,475 0.478,476 0.742,477 0.023,478 38,479 1.188,480 17.5,481 0.547,482 20.5,483 0.641,484 30.766,485 0.961,486 34.5,487 0.556,488 27.398,489 0.856,490 7.078,491 0.221,492 8.524,493 0.266,494 0.076,496 0.346,501 0.671,502 1.302,503 0.82,504 1.119,505 0.497,506 1.007,507 0.901,508 1.055,509 0.936,510 0.962,511 0.562,512 0.946,513 0.977,514 1.091,515 1.037,516 1.073,517 0.918,518 1.061,519 0.976,520 1.015,521 1.038,522 1.039,523 1.09,524 1.044,525 0.746,526 0.987,527 0.937,528 1.024,529 0.801,530 1.01,531 1.099,532 1.001,533 1.038,534 1.028,535 1.48,536 1.03,537 1.178,538 0.91,539 1.092,540 0.956,541 1.181,542 1.007,543 0.635,544 1.032,545 0.99,546 1.067,547 0.406,548 1.075,549 6.5,550 0.176,551 3.333,552 1.875,553 1.928,554 0.875,555 0.574,556 0.416,557 0.283,558 0.169,559 17299,560 39767,561 2.154,562 48.4,563 5,564 16,565 1,568 4,569 4,572 1.736,573 2.043,574 3.798,575 -0.836,582 86.817,583 1.4,584 3.418,585 4.834,586 5.394,587 5.394,588 5.394,589 3.258,590 4.625,591 4.973,592 3.995,593 1981.6,594 8.65,595 30630.5,597 1,600 369.16,601 1.317,602 4.943,603 0.181,604 0.007,605 0.065,606 0.036,607 0.043,608 0.023,609 0.016,610 0.013,611 0.01,612 0.006,613 0.401,614 0.33,615 0.88,616 0.633,617 172.199,618 0.014,619 -0.143,620 0.073,621 -0.039,622 0.017,623 0.012,624 -0.021,625 0.059,626 0.011,627 0.05,628 0.023,629 0.038,630 -0.077,631 -0.057,632 -0.078,633 -0.069,634 -0.01,635 -0.071,636 -0.067,637 -0.035,638 -0.063,639 -0.052,640 -0.054,641 -0.054,642 0.052,643 -0.043,644 0.035,645 -0.037,646 0.026,647 -0.009,648 -0.026,649 -0.047,650 -0.042,651 -0.049,652 -0.106,653 -0.049,654 -0.085,655 0.047,656 -0.091,657 0.016,658 -0.108,659 -0.031,660 0.103,661 -0.079,662 -0.03,663 -0.069,664 0.181,665 -0.067,666 1.524,667 5.958,668 0.75,669 36.77,670 0.993,671 1.12,672 3.326,673 11.066,674 0.662,675 3.611,676 3.951,677 4.248,678 4.533,679 4.796,680 4.883,681 5.037,682 5.176,683 5.204,684 5.242,685 8.475,686 0.622,687 430.59,688 3.611,689 5.165,690 6.028,691 6.915,692 7.794,693 8.686,694 9.574,695 10.47,696 11.363,697 12.262,698 3.2,701 1,706 1,714 2,715 8,720 4,721 1,722 16,727 1,739 1,741 62,743 18,744 2,745 36,747 66,748 27,749 14,750 6,751 6,752 2,756 5,757 9,767 4,768 1,770 6,772 16,773 11,774 1,777 2,782 2,786 2,793 30,794 4,796 5,802 2,808 0.6,809 3,824 1,828 1,829 4,832 2,833 1,834 1,855 1,859 3,864 1,868 32,876 9,878 1,880 1,881 1,893 4.8,896 2,898 1,901 15.667,902 11.4,903 6.972,904 4.029,907 3.034,908 1.361,909 1.002,910 6.057,911 11.438,912 3.85,913 4.44,914 5.041,915 5.64,916 6.178,917 6.517,918 6.92,919 7.276,920 7.35,921 7.504,922 0.9,923 52,924 11.943,926 5.189,927 0.026,929 7.615,931 23.48,933 20.252,936 2.115,937 67.667,940 1,941 353.133,942 137.144,943 5.023,945 61.29,948 137.144,949 414.423,950 5.023,951 10.883,952 21.524,953 75.381,954 60.128,955 33.396,956 13.915,957 341.362,959 353.133,960 142.167,961 61.29,964 306.049,965 108.374,968 26.548,969 115.62,972 353.133,973 66.313,974 137.144,977 353.133,978 50.88,979 91.288,981 61.29,982 353.133,983 66.313,984 137.144,986 0.585,987 0.347,988 0.186,989 0.105,990 26,991 11,992 0.106,993 7,994 3,995 1.208,996 4.486,997 292.006,998 0.25,999 23,1000 156,1005 21.271,1006 9.111,1007 4.501,1008 1.992,1009 64.414,1010 16.067,1015 4.121,1016 1.738,1018 556.59,1019 46,1024 25.029,1028 0.371,1031 61.556,1032 69.438,1034 0.235,1035 0.574,1036 0.812,1037 0.906,1038 0.906,1039 0.906,1040 5.106,1041 1.876,1042 6.014,1043 6.367,1044 4.635,1045 5.127,1046 2.563,1047 6.83,1048 4.597,1049 6.301,1050 1.478,1051 7.573,1052 5.361,1053 4.205,1054 4.977,1055 1.668,1056 7.722,1057 4.153,1058 7.609,1059 1.239,1060 9.228,1061 4.143,1062 6.236,1063 7.326,1064 3.21,1065 10.831,1066 6.161,1067 8.952,1068 1.205,1069 10.941,1070 3.366,1071 6.621,1072 8.046,1073 3.005,1074 12.582,1075 6.529,1076 10.33,1077 1,1078 12.692,1079 2.635,1080 8.111,1081 9.884,1082 4.148,1083 15.226,1084 7.998,1085 11.733,1086 0.911,1087 14.47,1088 2.288,1089 8.885,1090 11.025,1091 4.336,1092 17.372,1093 8.751,1094 13.157,1095 0.562,1096 16.271,1097 2.275,1098 10.16,1099 12.668,1100 5.247,1101 19.871,1102 10.006,1103 3.28,1104 0.43,1105 18.09,1106 1.317,1107 11.131,1108 14.016,1109 5.649,1110 22.196,1111 10.952,1112 2.783,1113 11.635,1114 19.925,1115 0.627,1116 12.322,1117 15.584,1118 6.43,1119 24.655,1120 12.122,1121 2.741,1122 8.715,1123 21.773,1124 4.657,1125 13.392,1126 17.032,1127 6.945,1128 27.054,1129 13.166,1130 2.57,1131 8.019,1132 23.634,1133 3.674,1134 14.558,1135 18.574,1136 7.656,1137 29.504,1138 14.308,1139 2.296,1140 7.287,1141 25.505,1142 3.543,1143 15.678,1144 20.068,1145 8.229,1146 31.935,1147 15.402,1148 2.21,1149 7.158,1150 27.385,1151 2.984,1152 16.84,1153 21.603,1154 8.903,1155 34.384,1156 16.539,1157 2.118,1158 6.489,1159 29.272,1160 2.828,1161 17.986,1162 23.119,1163 9.506,1164 36.828,1165 17.659,1166 15875,1167 24215,1168 24.561,1169 41.034,1170 54.353,1171 56.558,1172 55.32,1173 53.872,1174 53.882,1175 68.153,1176 10.224,1177 156.555,1178 52.846,1179 5.706,1180 5.75,1181 6.51,1182 5.294,1183 5.28,1184 7.657,1185 3.272,1186 18.835,1187 5.203,1188 13.479,1189 1.51,1190 1.571,1191 1.537,1192 1.496,1193 1.497,1194 1.893,1195 0.284,1196 4.349,1197 1.468,1198 4.182,1199 4.21,1200 4.148,1201 4.095,1202 7.429,1203 4.104,1204 3.964,1205 4.008,1206 3.886,1207 3.871,1208 7.425,1209 3.869,1210 3.839,1211 3.879,1212 3.734,1213 3.733,1214 4.889,1215 3.725,1216 3.641,1217 3.674,1218 3.573,1219 3.486,1220 4.858,1221 3.501,1222 3.476,1223 3.525,1224 3.358,1225 3.359,1226 4.41,1227 3.349,1228 3.377,1229 3.435,1230 3.256,1231 3.214,1232 4.289,1233 3.217,1234 3.26,1235 3.321,1236 3.108,1237 3.034,1238 4.173,1239 3.04,1240 3.137,1241 3.206,1242 2.988,1243 2.941,1244 3.926,1245 2.929,1246 0.131,1247 0.104,1248 0.192,1249 0.118,1250 0.091,1251 4.706,1252 0.129,1253 3.75,1254 0.052,1255 6.917,1256 0.323,1257 4.255,1258 0.089,1259 3.28,1260 4.657,1261 1.886,1262 11.635,1263 3.203,1264 2.012,1265 1.992,1266 2.112,1267 2.108,1268 1.485,1269 2.107,1270 1.929,1271 1.896,1272 2.074,1273 2.063,1274 1.337,1275 2.072,1276 1.837,1277 1.792,1278 1.995,1279 1.96,1280 1.168,1281 1.973,1282 1.662,1283 1.624,1284 1.816,1285 1.831,1286 1.041,1287 1.824,1288 1.49,1289 1.439,1290 1.711,1291 1.672,1292 0.934,1293 1.687,1294 1.262,1295 1.206,1296 1.578,1297 1.525,1298 0.825,1299 1.542,1300 1.203,1301 1.133,1302 1.513,1303 1.432,1304 0.689,1305 1.454,1306 1.153,1307 1.066,1308 1.48,1309 1.376,1310 0.594,1311 1.429,1312 4.29,1314 5.624,1315 2.398,1316 7.154,1317 4.727,1318 8.775,1319 6.88,1320 10.447,1322 1.705,1328 8.201,1330 5.333,1332 0.612,1333 2.498,1340 38.562,1341 86.817,1342 211.891,1343 299.734,1344 334.405,1345 334.405,1346 334.405,1347 56.339,1348 8.404,1349 51.54,1350 51.54,1351 29,1352 12.786,1353 4.248,1354 3.459,1355 46.224,1356 167,1357 158,1358 0.134,1359 232.027,1360 405.77,1361 557.907,1362 63819,1364 22.079,1365 0.69,1366 0.584,1367 22.079,1368 18.679,1369 15.602,1370 0.433,1371 0.324,1372 11.537,1373 15.114,1374 11.257,1375 9.263,1376 15.602,1377 11.662,1378 14.109,1379 0.277,1380 0.18,1381 14.109,1382 9.186,1383 12.325,1384 0.179,1385 0.103,1386 12.325,1387 7.088,1388 10.26,1389 0.112,1390 0.057,1391 10.26,1392 5.232,1393 8.719,1394 0.073,1395 0.033,1396 8.719,1397 3.932,1398 0.219,1399 97.03,1400 0.202,1401 30.638,1402 0.342,1403 174,1404 446.497,1405 186.026,1406 429.439,1407 589.38,1408 404,1409 207,1410 429.804,1411 219.639,1412 437.605,1413 641.73,1414 412,1415 6.9}
{0 CHEMBL1651138,1 1.4,2 15.344,3 5.074,4 25.745,5 126.356,6 6.945,7 0.444,8 4.212,9 4.328,10 3.734,11 3.784,12 5.207,13 3.745,14 4.808,15 4.986,16 4.103,17 4.221,18 5.735,19 4.157,20 5.103,21 5.314,22 4.167,23 4.398,24 6.035,25 4.294,26 5.196,27 5.439,28 4.042,29 4.386,30 6.081,31 4.245,32 5.127,33 5.399,34 3.886,35 4.265,36 5.952,37 4.101,38 4.991,39 5.239,40 3.809,41 4.127,42 5.923,43 3.987,44 4.883,45 5.129,46 3.69,47 4.056,48 5.742,49 3.904,50 4.863,51 5.131,52 3.671,53 4.003,54 5.719,55 3.853,56 0.029,57 0.855,58 13.637,59 6.18,60 6.966,61 8.231,62 0.238,63 1.484,64 26.615,65 10.55,66 20.145,67 14.469,68 0.283,69 1.888,70 36.796,71 14.51,72 43.753,73 19.941,74 0.371,75 1.987,76 41.541,77 15.964,78 55.538,79 22.202,80 0.259,81 1.824,82 39.018,83 15.334,84 44.581,85 21.8,86 0.454,87 1.555,88 34.508,89 12.905,90 58.788,91 17.765,92 0.309,93 1.435,94 30.434,95 11.821,96 44.7,97 16.45,98 0.361,99 1.4,100 30.255,101 11.362,102 56.728,103 16.151,104 11,105 51,106 0.224,107 0.547,108 0.763,109 0.843,110 0.843,111 0.843,112 3.502,113 0.972,114 -4.56,115 -4.48,116 -4.22,121 43.5,123 6,124 1,126 1,127 3,144 7,145 4,146 1,153 1,154 1,159 1,160 1,176 15,179 1,180 12,187 16,192 12,200 14,206 11,214 13,219 7,227 14,231 2,232 3,239 16,243 1,244 2,251 12,255 1,256 6,264 9,269 7,277 5,281 1770,282 21.988,283 21.988,284 21.988,285 21.988,286 21.988,287 19.959,288 26.756,289 12.755,290 22.318,291 17.703,292 17.703,293 17.703,294 17.703,295 17.703,296 14.348,297 30.17,298 6.012,299 18.115,300 4.554,301 2.537,302 1.184,303 0.69,304 0.69,305 0.69,306 4.213,311 1,312 1,313 1097,314 3.464,317 69.245,318 393.978,321 253.691,322 143.542,323 158.999,325 2.385,326 27.19,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 68,338 491,339 4.706,340 3.75,341 6.917,342 4.255,343 3.28,344 4.657,345 1.886,346 11.635,347 3.203,348 4.088,349 3.603,350 6.06,351 3.773,352 2.773,353 3.64,354 1.277,355 8.715,356 2.783,357 4.052,358 3.042,359 5.657,360 3.706,361 2.728,362 3.543,363 0.916,364 7.846,365 2.654,366 3.691,367 3.036,368 5.636,369 3.535,370 2.56,371 2.984,372 0.86,373 7.245,374 2.505,375 3.649,376 2.815,377 5.4,378 3.302,379 2.31,380 2.834,381 0.172,382 7.086,383 2.302,384 3.489,385 2.485,386 5.235,387 3.217,388 2.239,389 2.822,391 6.597,392 2.152,393 3.446,394 2.319,395 5.217,396 3.115,397 2.12,398 2.568,400 6.367,401 2.107,402 3.082,403 2.174,404 4.882,405 2.887,406 1.936,407 2.131,409 5.635,410 1.832,411 2.907,412 1.967,413 4.454,414 2.488,415 1.478,416 1.966,418 4.144,419 1.484,420 2.604,421 1.488,422 4.089,423 2.223,424 1.233,425 1.596,427 3.366,428 1.215,429 2.5,430 1.174,431 3.645,432 2,433 1,434 1.5,436 2.288,437 1,438 2.333,439 1.145,440 3.414,441 1.984,442 1,443 1.269,445 2.275,446 0.983,447 2,448 1.077,449 3.414,450 1.898,451 0.911,452 1,454 2.275,455 0.897,456 1.802,457 1.075,458 3.159,459 1.616,460 0.643,461 0.711,463 1.39,464 0.612,465 1.688,466 1,467 2.964,468 1.447,469 0.513,470 0.574,472 0.94,473 0.478,474 15.3,475 0.478,476 0.742,477 0.023,478 38,479 1.188,480 17.5,481 0.547,482 20.5,483 0.641,484 30.619,485 0.957,486 34.5,487 0.556,488 27.317,489 0.854,490 7.078,491 0.221,492 8.524,493 0.266,494 0.076,496 0.346,501 0.671,502 1.302,503 0.82,504 1.119,505 0.497,506 1.007,507 0.901,508 1.055,509 0.936,510 0.962,511 0.563,512 0.946,513 0.977,514 1.091,515 1.037,516 1.073,517 0.912,518 1.061,519 0.992,520 1.015,521 1.064,522 1.042,523 1.102,524 1.058,525 0.627,526 0.998,527 0.895,528 1.034,529 0.767,530 1.004,531 1.132,532 0.92,533 1.036,534 0.965,535 1.519,536 0.992,537 0.913,538 1.055,539 1.071,540 1.088,541 1.172,542 1.103,543 0.744,544 0.905,545 0.908,546 0.92,547 0.405,548 0.93,549 6.5,550 0.205,551 3.556,552 1.625,553 2.008,554 0.819,555 0.574,556 0.463,557 0.238,558 0.179,559 17523,560 40407,561 2.154,562 48.4,563 5,564 16,565 1,568 4,569 4,572 1.736,573 2.043,574 3.839,575 -0.836,582 86.817,583 1.4,584 3.418,585 4.77,586 5.265,587 5.265,588 5.265,589 3.355,590 4.539,591 4.971,592 4.032,593 2000.08,594 8.645,595 31025.8,597 1,600 369.16,601 1.317,602 4.943,603 0.181,604 0.008,605 0.07,606 0.031,607 0.046,608 0.022,609 0.017,610 0.015,611 0.008,612 0.006,613 0.404,614 0.33,615 0.88,616 0.633,617 172.589,618 0.014,619 -0.143,620 0.073,621 -0.039,622 0.017,623 0.012,624 -0.021,625 0.059,626 0.011,627 0.05,628 0.022,629 0.038,630 -0.077,631 -0.057,632 -0.078,633 -0.069,634 -0.005,635 -0.071,636 -0.084,637 -0.035,638 -0.089,639 -0.054,640 -0.065,641 -0.069,642 0.049,643 -0.056,644 0.066,645 -0.044,646 0.038,647 0.006,648 -0.001,649 0.025,650 -0.032,651 0.013,652 -0.11,653 -0.013,654 -0.012,655 -0.093,656 -0.097,657 -0.097,658 -0.093,659 -0.109,660 0.1,661 0.051,662 0.074,663 0.055,664 0.2,665 0.062,666 1.523,667 5.952,668 0.75,669 37.832,670 0.993,671 1.12,672 3.326,673 11.066,674 0.662,675 3.611,676 3.951,677 4.248,678 4.522,679 4.796,680 4.883,681 5.037,682 5.182,683 5.193,684 5.242,685 8.618,686 0.622,687 430.59,688 3.611,689 5.165,690 6.028,691 6.913,692 7.793,693 8.683,694 9.571,695 10.465,696 11.359,697 12.257,698 3.2,701 1,706 1,714 2,715 8,720 4,721 1,722 16,727 1,739 1,741 62,743 18,744 2,745 36,747 66,748 27,749 14,750 6,751 6,752 2,756 5,757 9,767 4,768 1,770 6,772 16,773 11,774 1,777 2,782 2,786 2,793 30,794 4,796 5,802 2,808 0.6,809 3,824 1,828 1,829 4,832 2,833 1,834 1,855 1,859 3,864 1,868 32,876 9,878 1,880 1,881 1,893 4.8,896 2,898 1,901 15.667,902 11.4,903 6.972,904 4.029,907 3.017,908 1.359,909 1.002,910 6.057,911 11.422,912 3.85,913 4.44,914 5.041,915 5.632,916 6.182,917 6.52,918 6.921,919 7.278,920 7.345,921 7.506,922 1,923 52,924 11.941,926 5.188,927 0.026,929 7.615,931 23.48,933 20.252,936 2.115,937 67.667,940 1,941 353.133,942 137.144,943 5.023,945 61.29,948 137.144,949 414.423,950 5.023,951 10.883,952 21.524,953 75.381,954 60.128,955 33.396,956 13.915,957 341.362,959 353.133,960 142.167,961 61.29,964 306.049,965 108.374,968 26.548,969 115.62,972 353.133,973 66.313,974 137.144,977 353.133,978 50.88,979 91.288,981 61.29,982 353.133,983 66.313,984 137.144,986 0.586,987 0.348,988 0.183,989 0.104,990 26,991 11,992 0.106,993 7,994 3,995 1.208,996 4.507,997 290.858,998 0.25,999 23,1000 152,1005 21.271,1006 9.111,1007 4.501,1008 1.993,1009 64.414,1010 16.091,1015 4.139,1016 1.738,1018 556.59,1019 46,1024 25.02,1028 0.373,1031 61.556,1032 69.438,1034 0.235,1035 0.574,1036 0.801,1037 0.884,1038 0.884,1039 0.884,1040 5.106,1041 1.936,1042 6.014,1043 6.367,1044 4.635,1045 5.127,1046 2.563,1047 6.828,1048 4.597,1049 6.301,1050 1.478,1051 7.573,1052 5.635,1053 4.205,1054 4.977,1055 1.668,1056 7.722,1057 4.153,1058 7.609,1059 1.233,1060 9.228,1061 4.144,1062 6.236,1063 7.326,1064 3.21,1065 10.823,1066 6.161,1067 8.952,1068 1,1069 10.94,1070 3.366,1071 6.621,1072 8.046,1073 3.005,1074 12.577,1075 6.529,1076 10.33,1077 1,1078 12.69,1079 2.288,1080 8.109,1081 9.882,1082 4.148,1083 15.216,1084 7.997,1085 11.732,1086 0.911,1087 14.468,1088 2.275,1089 8.881,1090 11.022,1091 4.336,1092 17.365,1093 8.747,1094 13.156,1095 0.643,1096 16.267,1097 2.275,1098 10.155,1099 12.664,1100 5.247,1101 19.864,1102 10.001,1103 3.28,1104 0.513,1105 18.086,1106 1.39,1107 11.124,1108 14.011,1109 5.649,1110 22.19,1111 10.946,1112 2.773,1113 11.635,1114 19.92,1115 0.94,1116 12.315,1117 15.579,1118 6.43,1119 24.65,1120 12.116,1121 2.728,1122 8.715,1123 21.768,1124 4.657,1125 13.384,1126 17.027,1127 6.945,1128 27.05,1129 13.159,1130 2.56,1131 7.846,1132 23.628,1133 3.64,1134 14.549,1135 18.569,1136 7.656,1137 29.501,1138 14.302,1139 2.31,1140 7.245,1141 25.499,1142 3.543,1143 15.67,1144 20.064,1145 8.229,1146 31.932,1147 15.395,1148 2.239,1149 7.086,1150 27.379,1151 2.984,1152 16.832,1153 21.599,1154 8.903,1155 34.383,1156 16.533,1157 2.12,1158 6.597,1159 29.267,1160 2.834,1161 17.979,1162 23.115,1163 9.506,1164 36.827,1165 17.653,1166 16083,1167 24567,1168 24.561,1169 41.034,1170 54.473,1171 56.576,1172 55.429,1173 53.914,1174 53.919,1175 68.211,1176 10.224,1177 156.726,1178 52.888,1179 5.706,1180 5.75,1181 6.469,1182 5.294,1183 5.28,1184 7.657,1185 3.272,1186 18.835,1187 5.203,1188 13.566,1189 1.513,1190 1.572,1191 1.54,1192 1.498,1193 1.498,1194 1.895,1195 0.284,1196 4.353,1197 1.469,1198 4.182,1199 4.21,1200 4.148,1201 4.095,1202 7.429,1203 4.104,1204 3.964,1205 4.008,1206 3.885,1207 3.871,1208 7.425,1209 3.869,1210 3.84,1211 3.879,1212 3.734,1213 3.733,1214 4.89,1215 3.725,1216 3.642,1217 3.674,1218 3.573,1219 3.486,1220 4.859,1221 3.501,1222 3.476,1223 3.526,1224 3.359,1225 3.359,1226 4.415,1227 3.35,1228 3.383,1229 3.44,1230 3.263,1231 3.217,1232 4.275,1233 3.221,1234 3.267,1235 3.325,1236 3.125,1237 3.052,1238 4.172,1239 3.059,1240 3.111,1241 3.206,1242 2.945,1243 2.941,1244 3.923,1245 2.91,1246 0.131,1247 0.104,1248 0.192,1249 0.118,1250 0.091,1251 4.706,1252 0.129,1253 3.75,1254 0.052,1255 6.917,1256 0.323,1257 4.255,1258 0.089,1259 3.28,1260 4.657,1261 1.886,1262 11.635,1263 3.203,1264 2.012,1265 1.992,1266 2.112,1267 2.108,1268 1.485,1269 2.107,1270 1.929,1271 1.896,1272 2.074,1273 2.063,1274 1.337,1275 2.072,1276 1.837,1277 1.792,1278 1.995,1279 1.96,1280 1.168,1281 1.973,1282 1.662,1283 1.624,1284 1.816,1285 1.831,1286 1.041,1287 1.825,1288 1.49,1289 1.44,1290 1.711,1291 1.674,1292 0.934,1293 1.688,1294 1.272,1295 1.219,1296 1.582,1297 1.532,1298 0.825,1299 1.548,1300 1.205,1301 1.136,1302 1.513,1303 1.426,1304 0.691,1305 1.449,1306 1.153,1307 1.064,1308 1.474,1309 1.376,1310 0.595,1311 1.429,1312 4.29,1314 5.624,1315 2.398,1316 7.154,1317 4.727,1318 8.774,1319 6.88,1320 10.444,1322 1.693,1328 8.259,1330 5.238,1332 0.617,1333 2.505,1340 38.562,1341 86.817,1342 211.891,1343 295.734,1344 326.405,1345 326.405,1346 326.405,1347 56.188,1348 8.404,1349 51.54,1350 51.54,1351 29,1352 12.781,1353 4.248,1354 3.459,1355 46.263,1356 169,1357 180,1358 0.132,1359 232.027,1360 405.77,1361 557.907,1362 63819,1364 22.079,1365 0.69,1366 0.584,1367 22.079,1368 18.679,1369 15.602,1370 0.433,1371 0.324,1372 11.537,1373 15.114,1374 11.258,1375 9.262,1376 15.602,1377 11.662,1378 14.097,1379 0.276,1380 0.18,1381 14.097,1382 9.182,1383 12.4,1384 0.18,1385 0.103,1386 12.4,1387 7.113,1388 10.148,1389 0.112,1390 0.057,1391 10.148,1392 5.193,1393 8.688,1394 0.072,1395 0.033,1396 8.688,1397 3.92,1398 0.217,1399 97.03,1400 0.202,1401 30.728,1402 0.336,1403 174,1404 446.497,1405 186.026,1406 429.374,1407 589.36,1408 404,1409 207,1410 429.804,1411 219.639,1412 437.469,1413 641.47,1414 412,1415 6.46}
{0 CHEMBL1651139,1 1.415,2 14.032,3 4.823,4 23.261,5 121.586,6 7.06,7 0.457,8 4.169,9 4.283,10 3.698,11 3.751,12 5.192,13 3.713,14 4.754,15 4.926,16 4.082,17 4.198,18 5.712,19 4.133,20 5.085,21 5.298,22 4.152,23 4.369,24 6.051,25 4.268,26 5.17,27 5.41,28 4.029,29 4.339,30 6.11,31 4.206,32 5.081,33 5.349,34 3.883,35 4.213,36 5.946,37 4.063,38 4.954,39 5.187,40 3.812,41 4.095,42 5.96,43 3.971,44 4.888,45 5.135,46 3.633,47 4.036,48 5.789,49 3.878,50 4.803,51 5.08,52 3.569,53 3.951,54 5.662,55 3.781,56 0.037,57 0.816,58 12.748,59 5.832,60 7.993,61 7.685,62 0.172,63 1.43,64 24.416,65 10.073,66 16.853,67 13.813,68 0.265,69 1.849,70 35.976,71 14.189,72 48.13,73 19.415,74 0.449,75 1.919,76 40.763,77 15.352,78 68.279,79 21.118,80 0.275,81 1.743,82 37.527,83 14.438,84 48.658,85 20.365,86 0.428,87 1.497,88 33.205,89 12.263,90 69.264,91 16.469,92 0.375,93 1.418,94 30.966,95 11.83,96 60.019,97 16.225,98 0.284,99 1.325,100 28.369,101 11.185,102 58.259,103 16.05,104 10,105 50,106 0.229,107 0.567,108 0.768,109 0.863,110 0.868,111 0.868,112 3.471,113 0.967,114 -4.36,115 -4.29,116 -4.05,121 44.1,123 6,124 1,127 3,144 7,145 4,146 1,153 1,154 1,159 1,160 1,176 15,179 1,180 10,185 2,187 16,192 9,197 2,200 14,206 10,209 1,211 1,214 13,219 8,227 12,231 1,232 3,237 2,239 15,243 1,244 2,249 1,251 13,255 1,256 4,261 1,264 9,269 6,274 1,277 6,281 1579,282 21.17,283 21.17,284 21.17,285 21.17,286 21.17,287 19.061,288 23.114,289 12.313,290 21.354,291 17.27,292 17.27,293 17.27,294 17.27,295 17.27,296 13.905,297 25.251,298 5.867,299 17.561,300 4.467,301 2.371,302 1.13,303 0.542,304 0.508,305 0.508,306 4.183,311 1,312 1,313 976,314 3.317,317 64.857,318 372.197,321 237.76,322 134.568,323 149.136,325 2.162,326 30.693,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 66,338 435,339 4.706,340 3.75,341 6.917,342 4.255,343 3.28,344 4.657,345 1.886,346 11.635,347 3.203,348 4.177,349 3.603,350 6.064,351 3.824,352 2.855,353 3.779,354 1.277,355 8.76,356 2.786,357 4.088,358 3.142,359 6.06,360 3.764,361 2.753,362 3.543,363 0.916,364 8.714,365 2.756,366 3.68,367 3.04,368 5.654,369 3.554,370 2.576,371 2.984,372 0.172,373 7.318,374 2.524,375 3.612,376 2.753,377 5.462,378 3.294,379 2.284,380 2.828,382 7.167,383 2.3,384 3.484,385 2.32,386 5.235,387 3.122,388 2.142,389 2.641,391 6.368,392 2.111,393 3.197,394 2.307,395 5.109,396 3.076,397 2.108,398 2.256,400 6.271,401 2.012,402 2.922,403 1.968,404 4.454,405 2.499,406 1.491,407 2.035,409 4.149,410 1.497,411 2.867,412 1.699,413 4.14,414 2.41,415 1.415,416 1.991,418 3.692,419 1.407,420 2.781,421 1.488,422 4.084,423 2.384,424 1.414,425 1.865,427 3.359,428 1.364,429 2.603,430 1.481,431 3.645,432 2.22,433 1.229,434 1.595,436 2.967,437 1.213,438 2.333,439 1.145,440 3.598,441 1.984,442 1,443 1.269,445 2.288,446 0.983,447 2,448 1.087,449 3.414,450 1.898,451 0.911,452 1,454 2.275,455 0.897,456 1.765,457 1.077,458 3.135,459 1.592,460 0.569,461 0.642,463 1.329,464 0.578,465 1.647,466 0.811,467 2.931,468 1.239,469 0.22,470 0.283,472 0.533,473 0.22,474 14.8,475 0.477,476 0.763,477 0.025,478 37.25,479 1.202,480 17.5,481 0.565,482 19.75,483 0.637,484 29.234,485 0.943,486 33.2,487 0.563,488 26.744,489 0.863,490 6.849,491 0.221,492 8.231,493 0.266,494 0.068,496 0.358,501 0.707,502 1.236,503 0.821,504 1.047,505 0.593,506 0.964,507 0.673,508 1.118,509 0.912,510 1.03,511 0.505,512 0.995,513 0.939,514 1.092,515 1.013,516 1.076,517 0.855,518 1.054,519 1.079,520 0.989,521 1.07,522 1.017,523 1.101,524 1.04,525 0.741,526 0.968,527 0.892,528 1,529 0.747,530 0.97,531 1.373,532 0.946,533 1.113,534 0.992,535 1.548,536 1.021,537 1.089,538 0.979,539 1.136,540 1.04,541 1.205,542 1.094,543 0.409,544 0.949,545 0.838,546 0.975,547 0.363,548 0.966,549 6,550 0.193,551 3.778,552 1.75,553 2.048,554 0.813,555 0.513,556 0.459,557 0.25,558 0.133,559 15768,560 37140,561 2.16,562 47.5,563 5,564 13,565 1,567 1,568 4,569 4,572 1.729,573 2.044,574 3.72,575 -0.425,582 83.504,583 1.415,584 3.512,585 4.753,586 5.34,587 5.374,588 5.374,589 3.216,590 4.632,591 4.928,592 3.929,593 1826.8,594 8.561,595 27325.5,597 1,600 347.076,601 1.332,602 4.896,603 0.171,604 0.008,605 0.076,606 0.034,607 0.048,608 0.022,609 0.015,610 0.016,611 0.009,612 0.005,613 0.405,614 0.17,615 0.88,616 0.486,617 164.6,618 -0.027,619 -0.088,620 0.053,621 0.018,622 -0.016,623 0.038,624 0.024,625 0.003,627 -0.015,628 0.033,629 -0.01,630 -0.058,631 -0.07,632 -0.057,633 -0.079,634 0.001,635 -0.068,636 -0.062,637 -0.02,638 -0.081,639 -0.038,640 -0.065,641 -0.059,642 0.032,643 -0.026,644 0.085,645 -0.017,646 0.03,647 0.035,648 -0.103,650 -0.097,651 -0.017,652 -0.152,653 -0.052,654 -0.078,655 -0.037,656 -0.146,657 -0.054,658 -0.131,659 -0.105,660 0.183,661 -0.015,662 0.122,663 0.018,664 0.194,665 0.056,666 1.532,667 5.919,668 0.774,669 33.994,670 0.994,671 1.119,672 3.125,673 9.767,674 0.666,675 3.584,676 3.932,677 4.234,678 4.511,679 4.779,680 4.852,681 5.004,682 5.165,683 5.182,684 5.198,685 8.136,686 0.628,687 416.56,688 3.584,689 5.142,690 6.009,691 6.897,692 7.78,693 8.673,694 9.564,695 10.46,696 11.356,697 12.256,698 3.4,701 1,706 1,714 2,715 8,720 4,721 1,722 16,727 1,738 1,741 59,743 18,744 2,745 35,747 63,748 26,749 14,750 6,751 6,752 2,756 5,757 9,767 4,768 1,770 6,772 16,773 10,774 1,777 2,782 2,786 2,793 28,794 4,795 1,796 5,802 2,808 0.6,809 3,824 1,828 1,829 4,832 2,833 1,834 1,855 1,859 3,868 31,875 1,876 9,880 1,881 1,893 5.1,895 1,896 2,901 15.167,902 10.433,903 6.667,904 3.878,907 3.03,908 1.364,909 0.996,910 5.579,911 11.352,912 3.829,913 4.428,914 5.031,915 5.622,916 6.161,917 6.489,918 6.896,919 7.268,920 7.341,921 7.493,922 1,923 51,924 11.589,926 5.12,927 0.026,929 7.699,931 22.647,933 19.781,936 2.199,937 68.167,940 1,941 317.82,942 121.017,943 5.023,945 92.973,948 121.017,949 410.793,950 5.023,952 21.524,953 75.381,954 102.811,955 17.153,956 13.915,957 306.049,959 317.82,960 126.041,961 92.973,964 270.735,965 140.058,968 26.548,969 99.493,972 317.82,973 97.997,974 121.017,977 317.82,978 45.636,979 80.405,981 92.973,982 317.82,983 97.997,984 121.017,986 0.59,987 0.35,988 0.186,989 0.105,990 26,991 11,992 0.095,993 6,994 3,995 1.208,996 4.388,997 282.007,998 0.25,999 23,1000 149.58,1005 20.326,1006 8.509,1007 4.138,1008 1.969,1009 96.098,1010 15.26,1015 3.242,1016 1.728,1017 42.683,1018 536.834,1019 45,1024 24.971,1028 0.342,1031 58.672,1032 66.022,1034 0.241,1035 0.597,1036 0.808,1037 0.908,1038 0.914,1039 0.914,1040 5.088,1041 1.491,1042 5.999,1043 6.271,1044 4.615,1045 5.115,1046 2.442,1047 6.823,1048 4.584,1049 6.288,1050 1.415,1051 7.566,1052 4.149,1053 4.205,1054 4.977,1055 1.668,1056 7.738,1057 4.153,1058 7.6,1059 1.414,1060 9.231,1061 3.692,1062 6.225,1063 7.323,1064 3.165,1065 10.852,1066 6.158,1067 8.947,1068 1.229,1069 10.954,1070 3.359,1071 6.635,1072 8.061,1073 3.005,1074 12.623,1075 6.544,1076 10.33,1077 1,1078 12.716,1079 2.967,1080 8.118,1081 9.895,1082 4.135,1083 15.266,1084 8.011,1085 11.738,1086 0.911,1087 14.505,1088 2.288,1089 8.912,1090 11.048,1091 4.336,1092 17.415,1093 8.78,1094 13.167,1095 0.569,1096 16.315,1097 2.275,1098 10.184,1099 12.688,1100 5.244,1101 19.911,1102 10.033,1103 3.28,1104 0.22,1105 18.141,1106 1.329,1107 11.166,1108 14.041,1109 5.649,1110 22.231,1111 10.988,1112 2.855,1113 11.635,1114 19.981,1115 0.533,1116 12.357,1117 15.606,1118 6.429,1119 24.685,1120 12.157,1121 2.753,1122 8.76,1123 21.834,1124 4.657,1125 13.432,1126 17.054,1127 6.945,1128 27.079,1129 13.204,1130 2.576,1131 8.714,1132 23.696,1133 3.779,1134 14.596,1135 18.594,1136 7.656,1137 29.524,1138 14.345,1139 2.284,1140 7.318,1141 25.568,1142 3.543,1143 15.717,1144 20.086,1145 8.229,1146 31.951,1147 15.439,1148 2.142,1149 7.167,1150 27.447,1151 2.984,1152 16.877,1153 21.618,1154 8.903,1155 34.397,1156 16.574,1157 2.108,1158 6.368,1159 29.333,1160 2.828,1161 18.023,1162 23.133,1163 9.506,1164 36.838,1165 17.693,1166 14403,1167 22237,1168 23.868,1169 39.273,1170 53.365,1171 55.271,1172 54.09,1173 52.913,1174 52.826,1175 67.14,1176 8.504,1177 154.439,1178 52.033,1179 5.706,1180 5.75,1181 6.604,1182 5.294,1183 5.28,1184 7.657,1185 3.272,1186 18.835,1187 5.203,1188 12.991,1189 1.525,1190 1.579,1191 1.545,1192 1.512,1193 1.509,1194 1.918,1195 0.243,1196 4.413,1197 1.487,1198 4.182,1199 4.21,1200 4.148,1201 4.095,1202 7.429,1203 4.104,1204 3.961,1205 4.005,1206 3.883,1207 3.867,1208 7.425,1209 3.866,1210 3.836,1211 3.876,1212 3.73,1213 3.733,1214 6.469,1215 3.724,1216 3.64,1217 3.673,1218 3.571,1219 3.486,1220 4.882,1221 3.501,1222 3.475,1223 3.525,1224 3.357,1225 3.359,1226 4.639,1227 3.349,1228 3.367,1229 3.428,1230 3.245,1231 3.212,1232 4.318,1233 3.212,1234 3.166,1235 3.225,1236 3.046,1237 3.007,1238 4.173,1239 3.004,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.929,1245 2.91,1246 0.134,1247 0.107,1248 0.198,1249 0.122,1250 0.094,1251 4.706,1252 0.133,1253 3.75,1254 0.054,1255 6.917,1256 0.332,1257 4.255,1258 0.092,1259 3.28,1260 4.657,1261 1.886,1262 11.635,1263 3.203,1264 2.012,1265 1.992,1266 2.111,1267 2.108,1268 1.485,1269 2.107,1270 1.927,1271 1.893,1272 2.073,1273 2.062,1274 1.337,1275 2.07,1276 1.836,1277 1.791,1278 1.993,1279 1.954,1280 1.161,1281 1.969,1282 1.662,1283 1.624,1284 1.816,1285 1.83,1286 1.039,1287 1.824,1288 1.489,1289 1.439,1290 1.711,1291 1.668,1292 0.933,1293 1.685,1294 1.25,1295 1.191,1296 1.513,1297 1.443,1298 0.825,1299 1.462,1300 1.165,1301 1.097,1302 1.487,1303 1.376,1304 0.686,1305 1.429,1306 1.153,1307 1.064,1308 1.434,1309 1.375,1310 0.594,1311 1.397,1312 4.263,1314 5.602,1315 2.398,1316 7.138,1317 4.727,1318 8.765,1319 6.88,1320 10.442,1327 9.986,1328 7.708,1332 0.574,1333 2.387,1340 37.036,1341 83.504,1342 207.204,1343 280.405,1344 315.076,1345 317.076,1346 317.076,1347 58.286,1348 8.322,1349 62.54,1350 62.54,1351 29,1352 12.779,1353 4.248,1354 3.459,1355 44.109,1356 155,1357 136,1358 0.137,1359 222.435,1360 388.47,1361 534.502,1362 57196,1364 21.372,1365 0.689,1366 0.572,1367 21.372,1368 17.718,1369 15.081,1370 0.431,1371 0.322,1372 11.181,1373 14.682,1374 10.958,1375 8.982,1376 15.081,1377 11.279,1378 13.824,1379 0.276,1380 0.179,1381 13.824,1382 8.963,1383 12.115,1384 0.178,1385 0.102,1386 12.115,1387 6.934,1388 9.973,1389 0.111,1390 0.057,1391 9.973,1392 5.089,1393 8.547,1394 0.072,1395 0.033,1396 8.547,1397 3.848,1398 0.224,1399 93.365,1400 0.205,1401 29.766,1402 0.354,1403 170,1404 430.911,1405 181.251,1406 419.217,1407 573.22,1408 392,1409 203,1410 419.289,1411 214.975,1412 425.808,1413 626.71,1414 403,1415 8.959}
{0 CHEMBL1651140,1 1.415,2 14.065,3 4.823,4 23.261,5 121.586,6 7.06,7 0.457,8 4.169,9 4.283,10 3.698,11 3.751,12 5.191,13 3.713,14 4.754,15 4.926,16 4.082,17 4.198,18 5.718,19 4.133,20 5.085,21 5.298,22 4.134,23 4.368,24 6.045,25 4.263,26 5.163,27 5.411,28 4.018,29 4.335,30 6.067,31 4.2,32 5.066,33 5.326,34 3.865,35 4.208,36 5.954,37 4.055,38 4.95,39 5.198,40 3.801,41 4.089,42 5.908,43 3.959,44 4.864,45 5.1,46 3.665,47 4.027,48 5.8,49 3.882,50 4.819,51 5.087,52 3.581,53 3.96,54 5.716,55 3.795,56 0.037,57 0.816,58 12.748,59 5.832,60 7.881,61 7.685,62 0.172,63 1.43,64 24.416,65 10.073,66 18.044,67 13.813,68 0.278,69 1.849,70 35.998,71 14.193,72 49.673,73 19.417,74 0.362,75 1.916,76 40.405,77 15.379,78 59.961,79 21.351,80 0.331,81 1.715,82 36.866,83 14.283,84 53.281,85 20.023,86 0.383,87 1.506,88 33.104,89 12.331,90 60.715,91 16.914,92 0.365,93 1.387,94 30.05,95 11.481,96 57.609,97 15.591,98 0.329,99 1.336,100 28.94,101 11.217,102 66.137,103 15.883,104 10,105 50,106 0.229,107 0.567,108 0.773,109 0.868,110 0.868,111 0.868,112 3.471,113 0.966,114 -4.36,115 -4.29,116 -4.05,121 44.1,123 6,124 1,127 3,144 7,145 4,146 1,153 1,154 1,159 1,160 1,176 15,179 1,180 10,185 2,187 16,192 10,197 2,200 14,206 9,211 1,214 13,219 8,222 1,227 14,231 1,232 3,239 14,243 1,244 2,249 2,251 13,255 1,256 4,261 1,264 9,269 6,274 1,277 5,281 1596,282 21.118,283 21.118,284 21.118,285 21.118,286 21.118,287 19.037,288 24.599,289 12.291,290 21.309,291 17.292,292 17.292,293 17.292,294 17.292,295 17.292,296 13.931,297 27.99,298 5.887,299 17.592,300 4.467,301 2.371,302 1.096,303 0.508,304 0.508,305 0.508,306 4.183,311 1,312 1,313 978,314 3.317,317 65.195,318 373.936,321 239.023,322 135.293,323 149.928,325 2.196,326 30.197,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 66,338 436,339 4.706,340 3.75,341 6.917,342 4.255,343 3.28,344 4.657,345 1.886,346 11.635,347 3.203,348 4.088,349 3.603,350 6.06,351 3.774,352 2.776,353 3.653,354 1.277,355 8.715,356 2.783,357 4.061,358 3.044,359 5.665,360 3.715,361 2.733,362 3.543,363 0.916,364 7.927,365 2.666,366 3.682,367 3.038,368 5.65,369 3.53,370 2.547,371 2.984,372 0.172,373 7.249,374 2.507,375 3.626,376 2.705,377 5.39,378 3.296,379 2.288,380 2.828,382 7.071,383 2.301,384 3.485,385 2.379,386 5.235,387 3.146,388 2.182,389 2.707,391 6.368,392 2.113,393 3.339,394 2.319,395 5.093,396 3.11,397 2.117,398 2.497,400 6.264,401 2.071,402 3.047,403 2.082,404 4.651,405 2.777,406 1.817,407 2.118,409 5.025,410 1.737,411 2.905,412 1.967,413 4.453,414 2.487,415 1.477,416 1.966,418 4.143,419 1.483,420 2.656,421 1.488,422 4.089,423 2.225,424 1.235,425 1.725,427 3.365,428 1.217,429 2.602,430 1.251,431 3.645,432 2.178,433 1.185,434 1.595,436 2.597,437 1.175,438 2.333,439 1.145,440 3.482,441 1.984,442 1,443 1.269,445 2.288,446 0.983,447 2,448 1.086,449 3.414,450 1.898,451 0.911,452 1,454 2.275,455 0.897,456 1.755,457 1.077,458 3.136,459 1.586,460 0.561,461 0.631,463 1.316,464 0.571,465 1.647,466 0.811,467 2.931,468 1.235,469 0.202,470 0.273,472 0.494,473 0.206,474 14.8,475 0.477,476 0.78,477 0.025,478 37.25,479 1.202,480 17.5,481 0.565,482 19.75,483 0.637,484 29.141,485 0.94,486 33.2,487 0.563,488 26.648,489 0.86,490 6.834,491 0.22,492 8.23,493 0.265,494 0.068,496 0.358,501 0.707,502 1.236,503 0.821,504 1.047,505 0.594,506 0.964,507 0.673,508 1.118,509 0.912,510 1.03,511 0.495,512 0.995,513 0.956,514 1.092,515 1.042,516 1.079,517 0.876,518 1.07,519 0.964,520 0.979,521 1.01,522 1.003,523 0.97,524 1.01,525 0.764,526 0.995,527 0.949,528 1.035,529 0.813,530 1.022,531 1.12,532 0.915,533 1.006,534 0.957,535 1.309,536 0.968,537 1.173,538 1.009,539 1.16,540 1.068,541 1.283,542 1.113,543 0.627,544 0.956,545 0.922,546 0.985,547 0.558,548 0.994,549 6.5,550 0.176,551 3.333,552 1.875,553 1.888,554 0.813,555 0.574,556 0.416,557 0.271,558 0.153,559 15880,560 37620,561 2.16,562 47.5,563 5,564 13,565 1,567 1,568 4,569 4,572 1.728,573 2.044,574 3.736,575 -0.425,582 83.504,583 1.415,584 3.512,585 4.787,586 5.374,587 5.374,588 5.374,589 3.232,590 4.632,591 4.927,592 3.945,593 1834.62,594 8.559,595 27524.7,597 1,600 347.076,601 1.332,602 4.896,603 0.186,604 0.007,605 0.067,606 0.038,607 0.044,608 0.023,609 0.017,610 0.014,611 0.01,612 0.006,613 0.411,614 0.17,615 0.88,616 0.486,617 164.815,618 -0.027,619 -0.088,620 0.053,621 0.018,622 -0.018,623 0.038,624 0.024,625 0.003,627 -0.015,628 0.044,629 -0.01,630 -0.076,631 -0.07,632 -0.087,633 -0.082,634 -0.019,635 -0.084,636 -0.061,637 -0.011,638 -0.03,639 -0.021,640 -0.037,641 -0.02,642 0.048,643 -0.053,644 0.028,645 -0.048,646 0.01,647 -0.019,648 -0.032,649 0.032,650 -0.002,651 0.018,652 -0.091,653 0.013,654 -0.089,655 -0.059,656 -0.167,657 -0.081,658 -0.139,659 -0.13,660 0.121,661 -0.022,662 0.051,663 0.004,664 0.138,665 0.016,666 1.531,667 5.918,668 0.774,669 34.595,670 0.994,671 1.119,672 3.125,673 9.767,674 0.666,675 3.584,676 3.932,677 4.22,678 4.511,679 4.771,680 4.86,681 5.004,682 5.159,683 5.182,684 5.209,685 8.206,686 0.628,687 416.56,688 3.584,689 5.142,690 6.004,691 6.893,692 7.771,693 8.665,694 9.551,695 10.449,696 11.342,697 12.243,698 3.4,701 1,706 1,714 2,715 8,720 4,721 1,722 16,727 1,738 1,741 59,743 18,744 2,745 35,747 63,748 26,749 14,750 6,751 6,752 2,756 5,757 9,767 4,768 1,770 6,772 16,773 10,774 1,777 2,782 2,786 2,793 28,794 4,795 1,796 5,802 2,808 0.6,809 3,824 1,828 1,829 4,832 2,833 1,834 1,855 1,859 3,868 31,875 1,876 9,880 1,881 1,893 5.1,895 1,896 2,901 15.167,902 10.433,903 6.639,904 3.871,907 3.001,908 1.361,909 0.996,910 5.579,911 11.323,912 3.829,913 4.428,914 5.021,915 5.624,916 6.159,917 6.499,918 6.895,919 7.269,920 7.34,921 7.494,922 1,923 50,924 11.582,926 5.11,927 0.026,929 7.699,931 22.647,933 19.777,936 2.199,937 68.167,940 1,941 317.82,942 121.017,943 5.023,945 92.973,948 121.017,949 410.793,950 5.023,952 21.524,953 75.381,954 102.811,955 17.153,956 13.915,957 306.049,959 317.82,960 126.041,961 92.973,964 270.735,965 140.058,968 26.548,969 99.493,972 317.82,973 97.997,974 121.017,977 317.82,978 45.636,979 80.405,981 92.973,982 317.82,983 97.997,984 121.017,986 0.589,987 0.343,988 0.185,989 0.104,990 26,991 11,992 0.095,993 6,994 3,995 1.208,996 4.403,997 281.052,998 0.25,999 23,1000 149.58,1005 20.326,1006 8.509,1007 4.268,1008 1.973,1009 96.098,1010 15.211,1015 3.367,1016 1.729,1017 42.683,1018 536.834,1019 45,1024 24.969,1028 0.349,1031 58.672,1032 66.022,1034 0.241,1035 0.597,1036 0.814,1037 0.914,1038 0.914,1039 0.914,1040 5.088,1041 1.817,1042 5.994,1043 6.264,1044 4.615,1045 5.115,1046 2.442,1047 6.81,1048 4.584,1049 6.288,1050 1.477,1051 7.553,1052 5.025,1053 4.205,1054 4.977,1055 1.668,1056 7.698,1057 4.153,1058 7.598,1059 1.235,1060 9.208,1061 4.143,1062 6.217,1063 7.317,1064 3.165,1065 10.811,1066 6.151,1067 8.941,1068 1.185,1069 10.921,1070 3.365,1071 6.608,1072 8.039,1073 3.005,1074 12.562,1075 6.521,1076 10.319,1077 1,1078 12.671,1079 2.597,1080 8.092,1081 9.876,1082 4.135,1083 15.211,1084 7.989,1085 11.721,1086 0.911,1087 14.45,1088 2.288,1089 8.87,1090 11.018,1091 4.336,1092 17.36,1093 8.743,1094 13.145,1095 0.561,1096 16.252,1097 2.275,1098 10.143,1099 12.661,1100 5.244,1101 19.863,1102 9.998,1103 3.28,1104 0.202,1105 18.072,1106 1.316,1107 11.116,1108 14.01,1109 5.649,1110 22.189,1111 10.945,1112 2.776,1113 11.635,1114 19.908,1115 0.494,1116 12.308,1117 15.579,1118 6.429,1119 24.65,1120 12.116,1121 2.733,1122 8.715,1123 21.758,1124 4.657,1125 13.38,1126 17.027,1127 6.945,1128 27.051,1129 13.161,1130 2.547,1131 7.927,1132 23.62,1133 3.653,1134 14.546,1135 18.57,1136 7.656,1137 29.502,1138 14.303,1139 2.288,1140 7.249,1141 25.493,1142 3.543,1143 15.668,1144 20.065,1145 8.229,1146 31.933,1147 15.398,1148 2.182,1149 7.071,1150 27.374,1151 2.984,1152 16.83,1153 21.6,1154 8.903,1155 34.383,1156 16.535,1157 2.117,1158 6.368,1159 29.263,1160 2.828,1161 17.978,1162 23.116,1163 9.506,1164 36.827,1165 17.656,1166 14506,1167 22460,1168 23.868,1169 39.273,1170 53.294,1171 55.122,1172 53.906,1173 52.812,1174 52.7,1175 66.98,1176 8.504,1177 153.664,1178 51.905,1179 5.706,1180 5.75,1181 6.473,1182 5.294,1183 5.28,1184 7.657,1185 3.272,1186 18.835,1187 5.203,1188 13.098,1189 1.523,1190 1.575,1191 1.54,1192 1.509,1193 1.506,1194 1.914,1195 0.243,1196 4.39,1197 1.483,1198 4.182,1199 4.21,1200 4.148,1201 4.095,1202 7.429,1203 4.104,1204 3.96,1205 4.005,1206 3.881,1207 3.867,1208 7.425,1209 3.866,1210 3.836,1211 3.876,1212 3.731,1213 3.733,1214 6.471,1215 3.724,1216 3.641,1217 3.673,1218 3.572,1219 3.486,1220 4.882,1221 3.501,1222 3.475,1223 3.525,1224 3.358,1225 3.359,1226 4.634,1227 3.349,1228 3.369,1229 3.429,1230 3.249,1231 3.212,1232 4.309,1233 3.213,1234 3.173,1235 3.228,1236 3.059,1237 3.008,1238 4.173,1239 3.008,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.927,1245 2.91,1246 0.134,1247 0.107,1248 0.198,1249 0.122,1250 0.094,1251 4.706,1252 0.133,1253 3.75,1254 0.054,1255 6.917,1256 0.332,1257 4.255,1258 0.092,1259 3.28,1260 4.657,1261 1.886,1262 11.635,1263 3.203,1264 2.012,1265 1.992,1266 2.112,1267 2.108,1268 1.485,1269 2.107,1270 1.927,1271 1.893,1272 2.074,1273 2.062,1274 1.337,1275 2.071,1276 1.835,1277 1.791,1278 1.993,1279 1.954,1280 1.162,1281 1.968,1282 1.662,1283 1.624,1284 1.816,1285 1.83,1286 1.039,1287 1.824,1288 1.489,1289 1.439,1290 1.71,1291 1.669,1292 0.933,1293 1.684,1294 1.249,1295 1.192,1296 1.513,1297 1.445,1298 0.825,1299 1.462,1300 1.164,1301 1.098,1302 1.484,1303 1.378,1304 0.677,1305 1.429,1306 1.153,1307 1.064,1308 1.429,1309 1.376,1310 0.593,1311 1.397,1312 4.263,1314 5.602,1315 2.398,1316 7.133,1317 4.727,1318 8.755,1319 6.88,1320 10.428,1327 9.641,1328 7.91,1332 0.588,1333 2.428,1340 37.036,1341 83.504,1342 207.204,1343 282.405,1344 317.076,1345 317.076,1346 317.076,1347 57.267,1348 8.322,1349 62.54,1350 62.54,1351 29,1352 12.766,1353 4.248,1354 3.459,1355 44.12,1356 156,1357 138,1358 0.136,1359 222.435,1360 388.47,1361 534.502,1362 57196,1364 21.372,1365 0.689,1366 0.572,1367 21.372,1368 17.718,1369 15.064,1370 0.43,1371 0.322,1372 11.175,1373 14.662,1374 10.948,1375 8.976,1376 15.064,1377 11.273,1378 13.94,1379 0.279,1380 0.18,1381 13.94,1382 9.004,1383 11.902,1384 0.178,1385 0.102,1386 11.902,1387 6.865,1388 10.047,1389 0.112,1390 0.057,1391 10.047,1392 5.116,1393 8.436,1394 0.072,1395 0.033,1396 8.436,1397 3.822,1398 0.223,1399 93.264,1400 0.205,1401 29.811,1402 0.35,1403 170,1404 430.911,1405 181.251,1406 419.485,1407 572.7,1408 392,1409 202,1410 418.289,1411 213.643,1412 425.241,1413 624.32,1414 402,1415 8.06}
{0 CHEMBL1651141,1 1.518,2 14.273,3 4.985,4 24.848,5 127.217,6 7.426,7 0.432,8 4.194,9 4.307,10 3.766,11 3.764,12 5.274,13 3.736,14 4.781,15 4.947,16 4.147,17 4.214,18 5.882,19 4.161,20 5.102,21 5.312,22 4.223,23 4.389,24 6.101,25 4.302,26 5.202,27 5.435,28 4.155,29 4.369,30 6.22,31 4.263,32 5.139,33 5.39,34 4.001,35 4.243,36 6.153,37 4.12,38 4.982,39 5.212,40 3.916,41 4.125,42 6.02,43 4.022,44 4.954,45 5.185,46 3.776,47 4.076,48 5.983,49 3.951,50 4.865,51 5.124,52 3.657,53 3.98,54 5.849,55 3.835,56 0.114,57 0.863,58 12.085,59 5.725,60 10.124,61 7.46,62 0.28,63 1.48,64 23.942,65 10.044,66 49.094,67 13.497,68 0.29,69 1.905,70 35.618,71 14.063,72 55.656,73 19.149,74 0.481,75 1.995,76 41.631,77 15.279,78 85.276,79 20.843,80 0.555,81 1.806,82 40.398,83 14.496,84 91.297,85 20.083,86 0.479,87 1.56,88 33.81,89 12.094,90 83.993,91 16.288,92 0.531,93 1.495,94 33.195,95 11.835,96 94.233,97 15.815,98 0.455,99 1.369,100 30.85,101 11.292,102 97.649,103 15.788,104 18,105 53,106 0.243,107 0.567,108 0.762,109 0.855,110 0.86,111 0.86,112 3.531,113 0.944,114 -4.92,115 -4.83,116 -4.53,121 43.3,123 6,124 1,127 3,144 7,145 4,146 1,153 1,154 1,159 1,160 1,168 2,176 15,179 2,180 12,187 16,192 15,200 14,205 1,206 15,214 13,218 2,219 10,227 12,231 1,232 5,239 15,243 1,244 7,251 13,255 1,256 7,264 9,269 9,277 6,281 1850,282 22.378,283 22.378,284 22.378,285 22.378,286 22.378,287 20.016,288 25.564,289 12.992,290 22.581,291 18.254,292 18.254,293 18.254,294 18.254,295 18.254,296 14.486,297 28.675,298 6.16,299 18.55,300 4.389,301 2.365,302 1.145,303 0.567,304 0.533,305 0.533,306 4.24,311 1,312 1,313 1046,314 3.742,317 70.848,318 401.133,321 259.225,322 146.537,323 162.335,325 2.264,326 39.569,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 71.5,338 471,339 4.706,340 3.807,341 6.917,342 4.255,343 3.28,344 4.657,345 2.612,346 11.635,347 3.203,348 4.39,349 3.75,350 6.417,351 3.958,352 2.983,353 4.095,354 1.886,355 9.812,356 2.908,357 4.088,358 3.603,359 6.06,360 3.768,361 2.757,362 3.543,363 1.277,364 8.715,365 2.782,366 3.7,367 3.041,368 5.654,369 3.584,370 2.614,371 2.993,372 0.916,373 7.421,374 2.544,375 3.656,376 3.016,377 5.505,378 3.299,379 2.293,380 2.983,381 0.172,382 7.199,383 2.303,384 3.517,385 2.601,386 5.235,387 3.162,388 2.191,389 2.827,391 6.476,392 2.119,393 3.48,394 2.319,395 5.191,396 3.112,397 2.117,398 2.624,400 6.367,401 2.093,402 3.171,403 2.258,404 4.761,405 2.841,406 1.864,407 2.248,409 4.952,410 1.816,411 2.922,412 1.968,413 4.454,414 2.496,415 1.486,416 2.012,418 4.143,419 1.494,420 2.818,421 1.542,422 4.089,423 2.41,424 1.415,425 1.902,427 3.369,428 1.406,429 2.608,430 1.488,431 3.725,432 2.22,433 1.23,434 1.598,436 3.129,437 1.213,438 2.601,439 1.324,440 3.644,441 2,442 1,443 1.592,445 2.304,446 1,447 2.333,448 1.145,449 3.466,450 1.984,451 1,452 1.269,454 2.288,455 0.983,456 2,457 1.086,458 3.414,459 1.898,460 0.911,461 1,463 2.275,464 0.897,465 1.76,466 1.077,467 3.134,468 1.587,469 0.563,470 0.634,472 1.317,473 0.573,474 15.533,475 0.471,476 0.853,477 0.026,478 41.25,479 1.25,480 20,481 0.606,482 21.25,483 0.644,484 30.464,485 0.923,486 35.467,487 0.591,488 31.336,489 0.95,490 7.635,491 0.231,492 8.356,493 0.253,494 0.086,496 0.367,501 0.418,502 1.221,503 0.738,504 1.047,505 0.441,506 0.966,507 0.546,508 1.117,509 0.861,510 1.032,511 0.4,512 0.996,513 0.76,514 1.107,515 0.954,516 1.089,517 0.648,518 1.056,519 0.952,520 0.989,521 1.018,522 1.039,523 0.904,524 1.038,525 0.899,526 0.945,527 0.962,528 0.988,529 0.954,530 0.991,531 1.12,532 0.961,533 1.066,534 1.008,535 1.178,536 1.027,537 1.227,538 0.96,539 1.202,540 1.04,541 1.311,542 1.111,543 0.773,544 0.92,545 0.965,546 0.967,547 0.797,548 0.999,549 6.5,550 0.193,551 4,552 2.125,553 2.128,554 1.049,555 0.594,556 0.49,557 0.316,558 0.153,559 18386,560 49752,561 2.131,562 45,563 5,564 13,565 1,568 4,569 4,572 1.745,573 2,574 3.743,575 -0.781,582 91.065,583 1.518,584 3.542,585 4.762,586 5.34,587 5.374,588 5.374,589 3.23,590 4.62,591 5.02,592 3.983,593 2103.15,594 8.745,595 33195.2,597 1,600 354.413,601 1.393,602 4.979,603 0.176,604 0.007,605 0.075,606 0.039,607 0.043,608 0.026,609 0.016,610 0.015,611 0.011,612 0.005,613 0.414,614 0.17,615 0.88,616 0.675,617 178.914,618 0.159,619 -0.042,620 0.07,621 0.018,622 0.034,623 0.018,624 0.105,626 0.01,627 -0.006,628 0.138,629 -0.011,630 -0.036,631 -0.085,632 -0.027,633 -0.078,634 0.02,635 -0.053,636 -0.059,637 -0.016,638 -0.038,639 -0.053,640 -0.027,641 -0.042,642 0.018,643 -0.017,644 0.041,645 -0.004,646 -0.023,647 0.016,648 -0.085,649 -0.005,650 -0.067,651 -0.027,652 -0.111,653 -0.041,654 -0.146,655 -0.019,656 -0.197,657 -0.059,658 -0.17,659 -0.126,660 0.048,661 -0.006,662 0.031,663 0.028,664 0.039,665 0.026,666 2.313,667 5.947,668 0.727,669 37.093,670 1.004,671 1.122,672 3.692,673 13.632,674 0.666,675 3.638,676 3.989,677 4.29,678 4.575,679 4.828,680 4.913,681 5.056,682 5.198,683 5.236,684 5.263,685 8.511,686 0.637,687 445.56,688 3.638,689 5.198,690 6.066,691 6.957,692 7.842,693 8.737,694 9.629,695 10.527,696 11.423,697 12.324,698 5,701 1,706 1,709 1,714 2,715 8,720 4,721 1,722 16,727 1,735 1,741 60,743 20,744 2,745 37,747 64,748 26,749 14,750 6,751 6,752 2,756 5,757 9,767 4,768 1,770 6,772 16,773 10,774 1,777 4,779 1,782 4,786 2,793 27,794 5,796 7,802 3,808 0.6,809 4,824 1,828 1,829 4,832 2,833 1,834 1,855 1,859 3,868 33,876 9,880 1,881 1,893 6.7,896 2,899 2,901 16.5,902 10.767,903 7.111,904 3.944,907 3.335,908 1.393,909 1.001,910 6.032,911 11.816,912 3.912,913 4.519,914 5.107,915 5.705,916 6.228,917 6.566,918 6.967,919 7.297,920 7.376,921 7.539,922 1,923 55,924 12.329,926 5.472,927 0.026,929 7.869,931 23.701,933 20.547,936 2.369,937 78.167,940 1,941 317.82,942 123.774,943 10.693,945 101.037,948 123.774,949 418.857,950 10.693,951 5.67,952 21.524,953 75.381,954 60.128,955 19.91,956 13.915,957 306.049,958 50.747,959 317.82,960 134.468,961 101.037,964 270.735,965 97.374,966 50.747,968 26.548,969 102.25,970 5.67,972 317.82,973 111.73,974 123.774,977 317.82,978 48.393,979 86.075,981 101.037,982 317.82,983 111.73,984 123.774,986 0.59,987 0.349,988 0.189,989 0.105,990 27,991 12,992 0.109,993 7,994 3,995 1.208,996 4.505,997 306.675,998 0.25,999 23,1000 158.465,1005 21.85,1006 9.11,1007 4.45,1008 1.918,1009 104.161,1010 14.566,1015 2.772,1016 1.709,1018 553.324,1019 49,1021 -0.313,1024 47.515,1028 0.282,1031 60.218,1032 67.315,1034 0.257,1035 0.6,1036 0.806,1037 0.904,1038 0.91,1039 0.91,1040 5.17,1041 1.864,1042 6.061,1043 6.367,1044 4.673,1045 5.207,1046 3.122,1047 6.895,1048 4.643,1049 6.38,1050 1.486,1051 7.635,1052 4.952,1053 4.29,1054 5.13,1055 2.701,1056 7.837,1057 4.243,1058 7.7,1059 1.415,1060 9.307,1061 4.143,1062 6.29,1063 7.433,1064 4.459,1065 10.951,1066 6.223,1067 9.055,1068 1.23,1069 11.038,1070 3.369,1071 6.723,1072 8.215,1073 4.698,1074 12.742,1075 6.635,1076 10.444,1077 1,1078 12.808,1079 3.129,1080 8.195,1081 10.018,1082 6.097,1083 15.383,1084 8.088,1085 11.859,1086 1,1087 14.604,1088 2.304,1089 9.006,1090 11.196,1091 6.658,1092 17.539,1093 8.875,1094 13.293,1095 0.911,1096 16.421,1097 2.288,1098 10.273,1099 12.816,1100 7.869,1101 20.029,1102 10.121,1103 3.28,1104 0.563,1105 18.254,1106 2.275,1107 11.265,1108 14.177,1109 8.602,1110 22.344,1111 11.088,1112 2.983,1113 11.635,1114 20.1,1115 1.317,1116 12.454,1117 15.73,1118 9.708,1119 24.79,1120 12.254,1121 2.757,1122 9.812,1123 21.957,1124 4.657,1125 13.533,1126 17.177,1127 10.537,1128 27.175,1129 13.307,1130 2.614,1131 8.715,1132 23.823,1133 4.095,1134 14.696,1135 18.707,1136 11.583,1137 29.611,1138 14.446,1139 2.293,1140 7.421,1141 25.698,1142 3.543,1143 15.818,1144 20.194,1145 12.467,1146 32.028,1147 15.541,1148 2.191,1149 7.199,1150 27.578,1151 2.993,1152 16.976,1153 21.718,1154 13.478,1155 34.466,1156 16.674,1157 2.117,1158 6.476,1159 29.465,1160 2.983,1161 18.12,1162 23.225,1163 14.394,1164 36.898,1165 17.792,1166 16941,1167 28023,1168 24.967,1169 39.972,1170 56.414,1171 59.432,1172 57.513,1173 56.054,1174 55.992,1175 72.713,1176 13.729,1177 164.244,1178 55.257,1179 5.706,1180 5.807,1181 6.598,1182 5.294,1183 5.28,1184 7.657,1185 4.612,1186 18.835,1187 5.203,1188 15.815,1189 1.525,1190 1.606,1191 1.554,1192 1.515,1193 1.513,1194 1.965,1195 0.371,1196 4.439,1197 1.493,1198 4.183,1199 4.211,1200 4.149,1201 4.095,1202 7.815,1203 4.104,1204 4.016,1205 4.05,1206 3.97,1207 3.893,1208 7.429,1209 3.9,1210 3.864,1211 3.915,1212 3.752,1213 3.738,1214 7.425,1215 3.731,1216 3.644,1217 3.677,1218 3.578,1219 3.487,1220 6.999,1221 3.502,1222 3.486,1223 3.527,1224 3.442,1225 3.359,1226 4.882,1227 3.349,1228 3.47,1229 3.504,1230 3.357,1231 3.212,1232 4.701,1233 3.213,1234 3.365,1235 3.426,1236 3.244,1237 3.043,1238 4.319,1239 3.133,1240 3.165,1241 3.224,1242 3.046,1243 2.989,1244 4.173,1245 2.998,1246 0.127,1247 0.103,1248 0.187,1249 0.115,1250 0.089,1251 4.706,1252 0.126,1253 3.807,1254 0.071,1255 6.917,1256 0.314,1257 4.255,1258 0.087,1259 3.28,1260 4.657,1261 2.612,1262 11.635,1263 3.203,1264 2.012,1265 1.992,1266 2.113,1267 2.116,1268 1.485,1269 2.11,1270 1.951,1271 1.919,1272 2.076,1273 2.101,1274 1.337,1275 2.087,1276 1.846,1277 1.797,1278 2.009,1279 2.009,1280 1.182,1281 2.008,1282 1.662,1283 1.624,1284 1.816,1285 1.833,1286 1.045,1287 1.826,1288 1.49,1289 1.439,1290 1.711,1291 1.69,1292 0.935,1293 1.688,1294 1.25,1295 1.192,1296 1.513,1297 1.641,1298 0.825,1299 1.553,1300 1.197,1301 1.164,1302 1.487,1303 1.443,1304 0.688,1305 1.462,1306 1.159,1307 1.093,1308 1.434,1309 1.376,1310 0.594,1311 1.429,1312 4.317,1314 5.659,1315 2.398,1316 7.197,1317 4.727,1318 8.826,1319 6.88,1320 10.505,1328 6.952,1332 0.497,1333 2.269,1340 38.245,1341 91.065,1342 212.542,1343 285.742,1344 320.413,1345 322.413,1346 322.413,1347 70.293,1348 8.481,1349 88.13,1350 88.13,1351 29,1352 12.846,1353 4.392,1354 3.7,1355 48.333,1356 174,1357 135,1358 0.134,1359 230.298,1360 405.62,1361 553.688,1362 70444,1364 22.949,1365 0.695,1366 0.562,1367 22.949,1368 18.535,1369 15.991,1370 0.432,1371 0.315,1372 11.517,1373 15.414,1374 11.309,1375 9.269,1376 15.991,1377 11.644,1378 14.754,1379 0.278,1380 0.174,1381 14.754,1382 9.22,1383 12.65,1384 0.176,1385 0.099,1386 12.65,1387 7.13,1388 10.636,1389 0.111,1390 0.055,1391 10.636,1392 5.267,1393 8.94,1394 0.072,1395 0.032,1396 8.94,1397 3.943,1398 0.22,1399 100.15,1400 0.2,1401 31.31,1402 0.346,1403 180,1404 521.877,1405 195.324,1406 501.018,1407 672.12,1408 464,1409 215,1410 491.624,1411 230.967,1412 491.64,1413 718.75,1414 463,1415 7.05}
{0 CHEMBL1651243,1 1.518,2 14.879,3 4.985,4 24.848,5 127.217,6 7.426,7 0.432,8 4.194,9 4.307,10 3.766,11 3.764,12 5.273,13 3.736,14 4.781,15 4.947,16 4.147,17 4.214,18 5.883,19 4.161,20 5.102,21 5.312,22 4.208,23 4.387,24 6.112,25 4.297,26 5.197,27 5.436,28 4.108,29 4.359,30 6.189,31 4.244,32 5.093,33 5.347,34 3.967,35 4.231,36 6.049,37 4.101,38 4.995,39 5.232,40 3.873,41 4.11,42 6.043,43 3.994,44 4.883,45 5.118,46 3.78,47 4.056,48 5.832,49 3.932,50 4.89,51 5.14,52 3.731,53 4.002,54 5.923,55 3.874,56 0.114,57 0.863,58 12.085,59 5.725,60 10.098,61 7.46,62 0.28,63 1.48,64 23.942,65 10.044,66 48.957,67 13.497,68 0.296,69 1.902,70 35.62,71 14.075,72 57.539,73 19.146,74 0.486,75 1.963,76 41.824,77 15.396,78 89.77,79 21.068,80 0.362,81 1.761,82 37.884,83 14.271,84 67.51,85 19.911,86 0.632,87 1.548,88 34.998,89 12.349,90 98.59,91 16.69,92 0.371,93 1.445,94 30.149,95 11.27,96 62.199,97 15.492,98 0.475,99 1.412,100 31.417,101 11.224,102 97.448,103 15.56,104 18,105 53,106 0.243,107 0.567,108 0.768,109 0.86,110 0.86,111 0.86,112 3.531,113 0.944,114 -4.92,115 -4.83,116 -4.53,121 43.3,123 6,124 1,127 3,144 7,145 4,146 1,153 1,154 1,159 1,160 1,168 2,176 15,179 2,180 12,187 16,192 16,200 14,206 14,214 13,218 1,219 10,227 14,231 3,232 3,239 14,243 1,244 4,251 13,255 1,256 9,264 9,269 9,277 5,281 1895,282 22.325,283 22.325,284 22.325,285 22.325,286 22.325,287 19.992,288 27.396,289 12.933,290 22.532,291 18.26,292 18.26,293 18.26,294 18.26,295 18.26,296 14.501,297 32.58,298 6.158,299 18.56,300 4.389,301 2.365,302 1.111,303 0.533,304 0.533,305 0.533,306 4.24,311 1,312 1,313 1091,314 3.742,317 71.844,318 406.172,321 262.929,322 148.662,323 164.656,325 2.321,326 38.618,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 71.5,338 491,339 4.706,340 3.78,341 6.917,342 4.255,343 3.28,344 4.657,345 2.612,346 11.635,347 3.203,348 4.28,349 3.75,350 6.06,351 3.819,352 2.845,353 3.977,354 1.886,355 8.715,356 2.786,357 4.088,358 3.603,359 5.983,360 3.767,361 2.756,362 3.543,363 1.277,364 8.529,365 2.766,366 3.8,367 3.041,368 5.655,369 3.603,370 2.636,371 3.192,372 0.916,373 7.576,374 2.554,375 3.672,376 3.016,377 5.572,378 3.339,379 2.353,380 2.984,381 0.172,382 7.219,383 2.318,384 3.562,385 2.573,386 5.296,387 3.271,388 2.259,389 2.827,391 6.787,392 2.268,393 3.482,394 2.319,395 5.235,396 3.116,397 2.121,398 2.619,400 6.367,401 2.109,402 3.161,403 2.253,404 4.918,405 2.943,406 1.983,407 2.23,409 5.695,410 1.895,411 2.924,412 1.968,413 4.454,414 2.491,415 1.48,416 2.011,418 4.144,419 1.488,420 2.846,421 1.813,422 4.089,423 2.326,424 1.331,425 1.909,427 3.368,428 1.324,429 2.604,430 1.488,431 3.764,432 2.22,433 1.229,434 1.596,436 3.011,437 1.213,438 2.585,439 1.189,440 3.644,441 2,442 1,443 1.584,445 2.323,446 1,447 2.333,448 1.145,449 3.436,450 1.984,451 1,452 1.269,454 2.288,455 0.983,456 2,457 1.086,458 3.414,459 1.898,460 0.911,461 1,463 2.275,464 0.897,465 1.755,466 1.077,467 3.134,468 1.585,469 0.56,470 0.63,472 1.314,473 0.571,474 15.533,475 0.471,476 0.87,477 0.026,478 41.25,479 1.25,480 20,481 0.606,482 21.25,483 0.644,484 30.304,485 0.918,486 35.467,487 0.591,488 31.058,489 0.941,490 7.62,491 0.231,492 8.355,493 0.253,494 0.086,496 0.367,501 0.418,502 1.221,503 0.738,504 1.047,505 0.442,506 0.966,507 0.546,508 1.117,509 0.861,510 1.032,511 0.397,512 0.996,513 0.768,514 1.099,515 0.978,516 1.099,517 0.642,518 1.074,519 0.955,520 0.975,521 1.015,522 1.01,523 0.924,524 1.021,525 0.713,526 0.979,527 0.918,528 1.06,529 0.704,530 1.031,531 1.116,532 0.893,533 1.068,534 0.943,535 1.272,536 0.999,537 0.863,538 1.032,539 1.069,540 1.091,541 0.879,542 1.113,543 0.894,544 0.94,545 1.008,546 0.985,547 0.891,548 1.011,549 7,550 0.193,551 3.778,552 2,553 2.048,554 0.938,555 0.656,556 0.478,557 0.295,558 0.204,559 18722,560 51192,561 2.131,562 45,563 5,564 13,565 1,568 4,569 4,572 1.744,573 2,574 3.816,575 -0.781,582 91.065,583 1.518,584 3.542,585 4.796,586 5.374,587 5.374,588 5.374,589 3.272,590 4.681,591 5.019,592 4.029,593 2127.26,594 8.739,595 33804,597 1,600 354.413,601 1.393,602 4.979,603 0.189,604 0.007,605 0.071,606 0.037,607 0.044,608 0.023,609 0.018,610 0.014,611 0.01,612 0.007,613 0.421,614 0.17,615 0.88,616 0.675,617 179.498,618 0.159,619 -0.042,620 0.07,621 0.018,622 0.033,623 0.018,624 0.105,626 0.01,627 -0.006,628 0.141,629 -0.011,630 -0.044,631 -0.076,632 -0.052,633 -0.089,634 0.026,635 -0.072,636 -0.077,637 -0.02,638 -0.033,639 -0.018,640 -0.044,641 -0.016,642 0.034,643 -0.042,644 0.06,645 -0.062,646 0.024,647 -0.006,648 -0.029,649 0.038,650 -0.053,651 0.037,652 -0.125,653 -0.01,654 -0.033,655 -0.066,656 -0.1,657 -0.097,658 -0.064,659 -0.108,660 0.015,661 -0.006,662 -0.007,663 -0.002,664 0.026,665 -0.006,666 2.353,667 5.942,668 0.727,669 38.523,670 1.004,671 1.122,672 3.692,673 13.632,674 0.666,675 3.638,676 3.989,677 4.277,678 4.554,679 4.82,680 4.905,681 5.069,682 5.193,683 5.226,684 5.273,685 8.698,686 0.637,687 445.56,688 3.638,689 5.198,690 6.061,691 6.95,692 7.83,693 8.722,694 9.61,695 10.506,696 11.399,697 12.298,698 5,701 1,706 1,709 1,714 2,715 8,720 4,721 1,722 16,727 1,735 1,741 60,743 20,744 2,745 37,747 64,748 26,749 14,750 6,751 6,752 2,756 5,757 9,767 4,768 1,770 6,772 16,773 10,774 1,777 4,779 1,782 4,786 2,793 27,794 5,796 7,802 3,808 0.6,809 4,824 1,828 1,829 4,832 2,833 1,834 1,855 1,859 3,868 33,876 9,880 1,881 1,893 6.7,896 2,899 2,901 16.5,902 10.767,903 7.083,904 3.937,907 3.24,908 1.382,909 1.001,910 6.032,911 11.721,912 3.912,913 4.519,914 5.098,915 5.687,916 6.232,917 6.571,918 6.991,919 7.295,920 7.377,921 7.535,922 0.9,923 54,924 12.317,926 5.457,927 0.026,929 7.869,931 23.701,933 20.543,936 2.369,937 78.167,940 1,941 317.82,942 123.774,943 10.693,945 101.037,948 123.774,949 418.857,950 10.693,951 5.67,952 21.524,953 75.381,954 60.128,955 19.91,956 13.915,957 306.049,958 50.747,959 317.82,960 134.468,961 101.037,964 270.735,965 97.374,966 50.747,968 26.548,969 102.25,970 5.67,972 317.82,973 111.73,974 123.774,977 317.82,978 48.393,979 86.075,981 101.037,982 317.82,983 111.73,984 123.774,986 0.591,987 0.346,988 0.182,989 0.104,990 27,991 12,992 0.109,993 7,994 3,995 1.208,996 4.538,997 304.391,998 0.25,999 23,1000 160.465,1005 21.85,1006 9.11,1007 4.581,1008 1.928,1009 104.161,1010 14.498,1015 2.951,1016 1.712,1018 553.324,1019 49,1021 -0.353,1024 46.974,1028 0.297,1031 60.218,1032 67.315,1034 0.257,1035 0.6,1036 0.812,1037 0.91,1038 0.91,1039 0.91,1040 5.17,1041 1.983,1042 6.057,1043 6.367,1044 4.673,1045 5.207,1046 3.122,1047 6.878,1048 4.643,1049 6.38,1050 1.48,1051 7.623,1052 5.695,1053 4.29,1054 5.13,1055 2.701,1056 7.786,1057 4.243,1058 7.698,1059 1.331,1060 9.286,1061 4.144,1062 6.282,1063 7.428,1064 4.459,1065 10.888,1066 6.216,1067 9.049,1068 1.229,1069 11.005,1070 3.368,1071 6.698,1072 8.197,1073 4.698,1074 12.642,1075 6.611,1076 10.434,1077 1,1078 12.761,1079 3.011,1080 8.168,1081 9.999,1082 6.097,1083 15.279,1084 8.062,1085 11.843,1086 1,1087 14.543,1088 2.323,1089 8.958,1090 11.162,1091 6.658,1092 17.418,1093 8.828,1094 13.271,1095 0.911,1096 16.346,1097 2.288,1098 10.222,1099 12.782,1100 7.869,1101 19.91,1102 10.073,1103 3.28,1104 0.56,1105 18.167,1106 2.275,1107 11.199,1108 14.135,1109 8.602,1110 22.227,1111 11.023,1112 2.845,1113 11.635,1114 20.001,1115 1.314,1116 12.384,1117 15.688,1118 9.708,1119 24.68,1120 12.186,1121 2.756,1122 8.715,1123 21.848,1124 4.657,1125 13.454,1126 17.131,1127 10.537,1128 27.073,1129 13.229,1130 2.636,1131 8.529,1132 23.705,1133 3.977,1134 14.614,1135 18.661,1136 11.583,1137 29.519,1138 14.366,1139 2.353,1140 7.576,1141 25.573,1142 3.543,1143 15.731,1144 20.148,1145 12.467,1146 31.946,1147 15.457,1148 2.259,1149 7.219,1150 27.448,1151 3.192,1152 16.889,1153 21.673,1154 13.478,1155 34.393,1156 16.589,1157 2.121,1158 6.787,1159 29.332,1160 2.984,1161 18.032,1162 23.182,1163 14.394,1164 36.834,1165 17.706,1166 17252,1167 28694,1168 24.967,1169 39.972,1170 56.511,1171 59.422,1172 57.327,1173 56.035,1174 55.973,1175 72.696,1176 13.729,1177 163.687,1178 55.238,1179 5.706,1180 5.78,1181 6.464,1182 5.294,1183 5.28,1184 7.657,1185 4.612,1186 18.835,1187 5.203,1188 15.974,1189 1.527,1190 1.606,1191 1.549,1192 1.514,1193 1.513,1194 1.965,1195 0.371,1196 4.424,1197 1.493,1198 4.182,1199 4.211,1200 4.149,1201 4.095,1202 7.815,1203 4.104,1204 4.009,1205 4.045,1206 3.961,1207 3.891,1208 7.429,1209 3.896,1210 3.869,1211 3.92,1212 3.759,1213 3.739,1214 7.425,1215 3.733,1216 3.65,1217 3.683,1218 3.586,1219 3.488,1220 6.999,1221 3.503,1222 3.514,1223 3.546,1224 3.464,1225 3.359,1226 4.882,1227 3.35,1228 3.469,1229 3.514,1230 3.355,1231 3.226,1232 4.698,1233 3.247,1234 3.346,1235 3.402,1236 3.23,1237 3.083,1238 4.315,1239 3.136,1240 3.141,1241 3.206,1242 3.025,1243 2.941,1244 4.173,1245 2.954,1246 0.127,1247 0.102,1248 0.187,1249 0.115,1250 0.089,1251 4.706,1252 0.126,1253 3.78,1254 0.071,1255 6.917,1256 0.314,1257 4.255,1258 0.087,1259 3.28,1260 4.657,1261 2.612,1262 11.635,1263 3.203,1264 2.012,1265 1.992,1266 2.113,1267 2.113,1268 1.485,1269 2.109,1270 1.948,1271 1.917,1272 2.076,1273 2.099,1274 1.337,1275 2.085,1276 1.848,1277 1.798,1278 2.009,1279 2.015,1280 1.177,1281 2.01,1282 1.662,1283 1.624,1284 1.816,1285 1.836,1286 1.045,1287 1.827,1288 1.494,1289 1.443,1290 1.712,1291 1.715,1292 0.935,1293 1.698,1294 1.285,1295 1.243,1296 1.513,1297 1.626,1298 0.825,1299 1.571,1300 1.205,1301 1.147,1302 1.49,1303 1.431,1304 0.692,1305 1.448,1306 1.153,1307 1.064,1308 1.439,1309 1.376,1310 0.594,1311 1.429,1312 4.317,1314 5.659,1315 2.398,1316 7.192,1317 4.727,1318 8.814,1319 6.88,1320 10.486,1328 7.3,1332 0.524,1333 2.335,1340 38.245,1341 91.065,1342 212.542,1343 287.742,1344 322.413,1345 322.413,1346 322.413,1347 68.707,1348 8.481,1349 88.13,1350 88.13,1351 29,1352 12.822,1353 4.392,1354 3.7,1355 48.371,1356 177,1357 150,1358 0.132,1359 230.298,1360 405.62,1361 553.688,1362 70444,1364 22.949,1365 0.695,1366 0.562,1367 22.949,1368 18.535,1369 15.974,1370 0.432,1371 0.315,1372 11.511,1373 15.395,1374 11.299,1375 9.263,1376 15.974,1377 11.638,1378 14.839,1379 0.28,1380 0.175,1381 14.839,1382 9.261,1383 12.623,1384 0.178,1385 0.1,1386 12.623,1387 7.076,1388 10.425,1389 0.111,1390 0.056,1391 10.425,1392 5.23,1393 8.916,1394 0.072,1395 0.032,1396 8.916,1397 3.925,1398 0.216,1399 100.049,1400 0.2,1401 31.426,1402 0.337,1403 180,1404 521.877,1405 195.324,1406 501.286,1407 671.6,1408 464,1409 214,1410 490.624,1411 229.801,1412 491.078,1413 716.24,1414 462,1415 8.541}
{0 CHEMBL1651244,1 1.336,2 14.032,3 4.664,4 21.754,5 125.129,6 6.613,7 0.343,8 4.216,9 4.341,10 3.698,11 3.803,12 5.14,13 3.747,14 4.834,15 5.024,16 4.067,17 4.254,18 5.691,19 4.166,20 5.177,21 5.409,22 4.153,23 4.445,24 6.025,25 4.32,26 5.248,27 5.503,28 4.043,29 4.423,30 6.075,31 4.27,32 5.174,33 5.437,34 3.959,35 4.338,36 5.997,37 4.178,38 5.103,39 5.362,40 3.802,41 4.213,42 5.996,43 4.048,44 4.966,45 5.234,46 3.659,47 4.094,48 5.795,49 3.92,50 4.862,51 5.14,52 3.578,53 4.01,54 5.692,55 3.828,56 0.05,57 0.877,58 14.524,59 6.425,60 5.374,61 8.881,62 0.219,63 1.553,64 28.006,65 11.159,66 14.75,67 15.902,68 0.293,69 2.036,70 40.276,71 15.716,72 37.419,73 22.299,74 0.38,75 2.089,76 43.842,77 16.713,78 48.446,79 23.67,80 0.278,81 1.917,82 40.441,83 16.062,84 37.508,85 22.714,86 0.429,87 1.725,88 38.376,89 14.466,90 57.197,91 20.145,92 0.342,93 1.52,94 33.202,95 12.855,96 45.232,97 18.104,98 0.303,99 1.395,100 29.617,101 11.788,102 54.205,103 16.916,104 5,105 49,106 0.215,107 0.494,108 0.705,109 0.83,110 0.842,111 0.847,112 3.471,113 1.022,114 -5.42,115 -5.3,116 -4.95,121 42.9,123 8,124 1,127 4,144 7,145 4,146 1,159 1,160 1,176 18,179 1,180 10,187 19,192 11,200 16,206 10,214 15,219 9,227 17,231 1,232 4,239 17,243 1,244 2,251 15,255 1,256 4,264 11,269 6,277 8,281 1624,282 21.378,283 21.378,284 21.378,285 21.378,286 21.378,287 19.705,288 26.172,289 12.657,290 21.528,291 17.309,292 17.309,293 17.309,294 17.309,295 17.309,296 14.589,297 29.214,298 6.063,299 17.532,300 4.641,301 2.903,302 1.586,303 0.806,304 0.73,305 0.698,306 4.186,311 1,312 1,313 977,314 3.24,318 435.239,322 379.008,324 155.033,325 2.162,326 25.302,329 0.75,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.89,337 65,338 435,339 4.555,340 3.804,341 6.904,342 4.236,343 3.26,344 4.198,345 1.94,346 11.594,347 3.187,348 4.043,349 3.604,350 6.064,351 3.773,352 2.768,353 3.457,354 1.277,355 8.727,356 2.782,357 3.94,358 3.122,359 5.676,360 3.677,361 2.707,362 3.379,363 0.916,364 7.789,365 2.624,366 3.655,367 3.017,368 5.615,369 3.466,370 2.467,371 2.864,372 0.555,373 7.31,374 2.462,375 3.583,376 2.557,377 5.328,378 3.318,379 2.305,380 2.634,381 0.172,382 6.925,383 2.324,384 3.379,385 2.416,386 5.229,387 3.114,388 2.12,389 2.612,391 6.341,392 2.107,393 3.174,394 2.227,395 4.955,396 3.02,397 2.062,398 2.246,400 5.866,401 1.964,402 2.877,403 2.155,404 4.479,405 2.532,406 1.526,407 1.963,409 4.224,410 1.527,411 2.807,412 1.721,413 4.114,414 2.418,415 1.423,416 1.858,418 3.499,419 1.415,420 2.54,421 1.52,422 3.728,423 2.305,424 1.303,425 1.517,427 3.037,428 1.301,429 2.5,430 1.386,431 3.592,432 2.239,433 1.248,434 1.5,436 2.881,437 1.235,438 2.295,439 1.088,440 3.414,441 2,442 1,443 1.288,445 2.275,446 1,447 2,448 1.077,449 3.247,450 1.984,451 1,452 1,454 2.136,455 0.983,456 1.755,457 1.007,458 3.13,459 1.586,460 0.561,461 0.63,463 1.313,464 0.571,465 1.658,466 1,467 2.981,468 1.345,469 0.317,470 0.387,472 0.759,473 0.323,474 14.967,475 0.483,476 0.674,477 0.022,478 35,479 1.129,480 15.5,481 0.5,482 19.5,483 0.629,484 31.912,485 1.029,486 33.633,487 0.534,488 23.671,489 0.764,490 6.147,491 0.198,492 9.022,493 0.291,494 0.045,496 0.321,501 0.61,502 1.289,503 0.875,504 1.112,505 0.47,506 1.032,507 0.751,508 1.126,509 0.987,510 1.046,511 0.512,512 1.029,513 0.991,514 1.091,515 1.03,516 1.06,517 0.88,518 1.046,519 1.174,520 0.986,521 1.065,522 1.006,523 1.162,524 1.021,525 0.876,526 1.033,527 0.966,528 1.065,529 0.934,530 1.031,531 1.436,532 0.956,533 1.106,534 1.003,535 1.707,536 1.028,537 1.114,538 0.942,539 1.034,540 0.986,541 1.31,542 1.007,543 0.57,544 0.974,545 0.915,546 0.995,547 0.546,548 0.991,549 5.5,550 0.177,551 3.111,552 1.75,553 1.956,554 0.792,555 0.464,556 0.431,557 0.234,558 0.128,559 15687,560 31863,561 2.18,562 50.8,563 7,564 15,568 4,569 6,572 1.729,573 2.09,574 3.731,575 -0.863,582 84.187,583 1.336,584 3.074,585 4.391,586 5.172,587 5.247,588 5.279,589 3.216,590 4.567,591 4.926,592 3.924,593 1824.48,594 8.562,595 27125.8,597 1,600 376.569,601 1.215,602 4.907,603 0.157,604 0.007,605 0.063,606 0.034,607 0.044,608 0.02,609 0.014,610 0.015,611 0.009,612 0.005,613 0.369,614 0.33,615 0.88,616 0.415,617 164.322,618 0.026,619 -0.109,620 0.072,621 -0.007,622 0.024,623 0.027,624 0.035,625 0.006,626 -0.017,627 -0.018,628 0.028,629 -0.02,630 -0.052,631 -0.058,632 -0.05,633 -0.061,634 -0.012,635 -0.055,636 -0.095,637 -0.002,638 -0.073,639 -0.028,640 -0.07,641 -0.044,642 0.019,643 -0.076,644 0.008,645 -0.074,646 0.01,647 -0.038,648 -0.075,649 -0.018,650 -0.093,651 -0.032,652 -0.141,653 -0.062,654 -0.014,655 -0.005,656 -0.043,657 -0.008,658 -0.084,659 -0.028,660 0.177,661 -0.032,662 0.047,663 -0.009,664 0.199,665 0.005,666 1.425,667 6.02,668 0.806,669 34.514,670 0.986,671 1.121,672 4.19,673 17.554,674 0.656,675 3.584,676 3.912,677 4.205,678 4.489,679 4.787,680 4.836,681 5.004,682 5.136,683 5.247,684 5.22,685 8.073,686 0.609,687 416.61,688 3.584,689 5.13,690 5.989,691 6.87,692 7.746,693 8.634,694 9.518,695 10.41,696 11.3,697 12.195,698 3.2,701 1,705 1,715 7,720 5,722 12,727 1,741 63,743 14,744 2,745 35,747 67,748 27,749 12,750 5,751 7,752 1,756 5,757 9,767 6,768 1,770 8,772 14,773 13,774 1,777 2,782 2,786 2,790 1,793 32,794 4,796 4,802 2,808 0.6,809 2,829 5,833 3,835 1,844 1,855 1,859 3,868 31,876 12,880 1,881 2,893 3.2,896 2,901 14.833,902 11.15,903 6.722,904 4.34,907 2.132,908 1.256,909 1.003,910 6.025,911 10.455,912 3.784,913 4.304,914 4.812,915 5.319,916 5.848,917 6.002,918 6.333,919 6.539,920 6.699,921 6.712,922 1,923 51,924 11.625,926 5.075,927 0.026,929 7.532,931 23.206,933 20.36,936 2.032,937 63,940 1,941 376.675,942 120.37,943 6.249,945 50.29,948 120.37,949 426.965,950 6.249,952 31.823,953 66.334,954 60.128,955 18.623,957 376.675,959 376.675,960 126.619,961 50.29,964 306.049,965 120.916,968 34.948,969 91.671,972 376.675,973 56.538,974 120.37,977 376.675,978 54.036,979 72.582,981 50.29,982 376.675,983 56.538,984 120.37,986 0.582,987 0.342,988 0.187,989 0.109,990 25,991 10,992 0.09,993 6,994 3,995 1.2,996 4.409,997 281.55,998 0.24,999 24,1000 141.58,1005 20.608,1006 9.063,1007 4.514,1009 56.538,1010 14.843,1015 5.771,1018 553.584,1019 43,1024 25.271,1028 0.519,1031 62.112,1032 70.643,1034 0.224,1035 0.514,1036 0.735,1037 0.865,1038 0.878,1039 0.883,1040 5.043,1041 1.526,1042 5.964,1043 5.866,1044 4.595,1045 4.99,1046 2.522,1047 6.77,1048 4.571,1049 6.206,1050 1.423,1051 7.514,1052 4.224,1053 4.111,1054 4.705,1055 1.738,1056 7.647,1057 4.075,1058 7.493,1059 1.303,1060 9.164,1061 3.499,1062 6.18,1063 7.044,1064 3.248,1065 10.772,1066 6.125,1067 8.809,1068 1.248,1069 10.875,1070 3.037,1071 6.524,1072 7.587,1073 3.151,1074 12.526,1075 6.453,1076 10.161,1077 1,1078 12.627,1079 2.881,1080 8.043,1081 9.419,1082 4.272,1083 15.179,1084 7.952,1085 11.537,1086 1,1087 14.408,1088 2.275,1089 8.792,1090 10.367,1091 4.544,1092 17.328,1093 8.681,1094 12.933,1095 0.561,1096 16.213,1097 2.136,1098 10.082,1099 11.985,1100 5.447,1101 19.831,1102 9.951,1103 3.26,1104 0.317,1105 18.036,1106 1.313,1107 11.039,1108 13.148,1109 5.913,1110 22.155,1111 10.884,1112 2.768,1113 11.594,1114 19.874,1115 0.759,1116 12.237,1117 14.667,1118 6.699,1119 24.614,1120 12.06,1121 2.707,1122 8.727,1123 21.726,1124 4.198,1125 13.299,1126 15.948,1127 7.263,1128 27.011,1129 13.096,1130 2.467,1131 7.789,1132 23.59,1133 3.457,1134 14.466,1135 17.419,1136 7.989,1137 29.46,1138 14.239,1139 2.305,1140 7.31,1141 25.463,1142 3.379,1143 15.58,1144 18.767,1145 8.603,1146 31.887,1147 15.327,1148 2.12,1149 6.925,1150 27.344,1151 2.864,1152 16.74,1153 20.215,1154 9.297,1155 34.334,1156 16.463,1157 2.062,1158 6.341,1159 29.234,1160 2.634,1161 17.882,1162 21.6,1163 9.936,1164 36.774,1165 17.579,1166 14306,1167 20513,1168 24.156,1169 41.341,1170 52.663,1171 54.455,1172 52.928,1173 52.273,1174 52.234,1175 63.171,1176 9.724,1177 149.584,1178 51.699,1179 5.555,1180 5.804,1181 6.706,1182 5.283,1183 5.26,1184 7.198,1185 3.348,1186 18.809,1187 5.187,1188 10.381,1189 1.505,1190 1.556,1191 1.512,1192 1.494,1193 1.492,1194 1.805,1195 0.278,1196 4.274,1197 1.477,1198 4.078,1199 4.109,1200 4.024,1201 3.998,1202 7.429,1203 4,1204 3.95,1205 3.996,1206 3.864,1207 3.865,1208 7.425,1209 3.86,1210 3.83,1211 3.874,1212 3.718,1213 3.728,1214 4.759,1215 3.718,1216 3.64,1217 3.677,1218 3.562,1219 3.485,1220 4.678,1221 3.495,1222 3.531,1223 3.59,1224 3.383,1225 3.405,1226 4.317,1227 3.39,1228 3.41,1229 3.471,1230 3.281,1231 3.249,1232 4.037,1233 3.247,1234 3.185,1235 3.244,1236 3.062,1237 3.025,1238 3.922,1239 3.022,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.872,1245 2.91,1246 0.13,1247 0.109,1248 0.197,1249 0.121,1250 0.093,1251 4.555,1252 0.12,1253 3.804,1254 0.055,1255 6.904,1256 0.331,1257 4.236,1258 0.091,1259 3.26,1260 4.198,1261 1.94,1262 11.594,1263 3.187,1264 2.029,1265 2.004,1266 2.136,1267 2.133,1268 1.486,1269 2.134,1270 1.933,1271 1.896,1272 2.096,1273 2.065,1274 1.415,1275 2.079,1276 1.841,1277 1.793,1278 2.014,1279 1.954,1280 1.169,1281 1.976,1282 1.599,1283 1.557,1284 1.815,1285 1.78,1286 1.131,1287 1.784,1288 1.546,1289 1.489,1290 1.777,1291 1.714,1292 1.034,1293 1.744,1294 1.396,1295 1.334,1296 1.627,1297 1.583,1298 0.861,1299 1.6,1300 1.172,1301 1.112,1302 1.513,1303 1.376,1304 0.825,1305 1.429,1306 1.153,1307 1.064,1308 1.447,1309 1.376,1310 0.679,1311 1.401,1312 4.263,1314 5.587,1316 7.119,1318 8.747,1320 10.429,1328 11.452,1332 0.653,1333 4.49,1340 38.374,1341 84.187,1342 193.659,1343 276.652,1344 325.814,1345 330.569,1346 332.569,1347 54.47,1348 8.323,1349 40.62,1350 40.62,1351 30,1352 12.721,1353 3.907,1354 3.17,1355 44.075,1356 152,1357 153,1358 0.139,1359 230.959,1360 410.52,1361 555.299,1362 57383,1364 21.209,1365 0.684,1366 0.591,1367 21.209,1368 18.315,1369 15.17,1370 0.433,1371 0.341,1372 11.843,1373 14.839,1374 11.594,1375 9.509,1376 15.17,1377 11.928,1378 13.66,1379 0.279,1380 0.193,1381 13.66,1382 9.459,1383 11.823,1384 0.179,1385 0.111,1386 11.823,1387 7.333,1388 9.905,1389 0.113,1390 0.063,1391 9.905,1392 5.569,1393 8.745,1394 0.073,1395 0.037,1396 8.745,1397 4.367,1398 0.226,1399 93.324,1400 0.203,1401 29.757,1402 0.36,1403 168,1404 384.761,1405 177.147,1406 376.057,1407 518.49,1408 354,1409 199,1410 378.907,1411 208.982,1412 385.857,1413 567.92,1414 366,1415 7.8}
{0 CHEMBL1651245,1 1.336,2 14.032,3 4.664,4 21.754,5 125.129,6 6.613,7 0.343,8 4.216,9 4.341,10 3.698,11 3.803,12 5.14,13 3.747,14 4.834,15 5.024,16 4.067,17 4.254,18 5.691,19 4.166,20 5.183,21 5.413,22 4.168,23 4.457,24 6.031,25 4.333,26 5.264,27 5.518,28 4.069,29 4.437,30 6.106,31 4.287,32 5.186,33 5.45,34 3.921,35 4.334,36 6.006,37 4.165,38 5.086,39 5.353,40 3.79,41 4.193,42 5.956,43 4.028,44 4.941,45 5.202,46 3.658,47 4.084,48 5.783,49 3.915,50 4.862,51 5.14,52 3.578,53 4.01,54 5.692,55 3.828,56 0.05,57 0.877,58 14.524,59 6.425,60 5.374,61 8.881,62 0.219,63 1.553,64 28.006,65 11.159,66 14.75,67 15.902,68 0.293,69 2.051,70 40.478,71 15.834,72 37.42,73 22.452,74 0.386,75 2.121,76 44.612,77 16.972,78 48.65,79 23.982,80 0.304,81 1.928,82 41.037,83 16.175,84 42.899,85 22.863,86 0.404,87 1.698,88 37.679,89 14.279,90 52.634,91 20.01,92 0.334,93 1.49,94 32.332,95 12.552,96 44.2,97 17.626,98 0.303,99 1.395,100 29.617,101 11.788,102 54.205,103 16.916,104 5,105 49,106 0.215,107 0.494,108 0.705,109 0.83,110 0.842,111 0.847,112 3.471,113 1.022,114 -5.42,115 -5.3,116 -4.95,121 42.9,123 8,124 1,127 4,144 7,145 4,146 1,159 1,160 1,176 18,179 1,180 10,187 19,192 11,200 16,206 11,214 15,219 8,227 17,231 1,232 3,239 16,243 1,244 3,251 15,255 1,256 4,264 11,269 6,277 7,281 1618,282 21.378,283 21.378,284 21.378,285 21.378,286 21.378,287 19.705,288 25.909,289 12.657,290 21.528,291 17.309,292 17.309,293 17.309,294 17.309,295 17.309,296 14.589,297 28.288,298 6.064,299 17.53,300 4.641,301 2.903,302 1.586,303 0.806,304 0.73,305 0.698,306 4.186,311 1,312 1,313 977,314 3.24,317 59.988,318 283.05,319 90.226,321 110.201,322 125.907,323 140.481,324 154.189,325 2.162,326 25.437,329 0.75,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.89,337 65,338 435,339 4.56,340 3.799,341 6.911,342 4.243,343 3.268,344 4.202,345 1.94,346 11.616,347 3.191,348 4.043,349 3.605,350 6.063,351 3.773,352 2.768,353 3.457,354 1.277,355 8.725,356 2.781,357 3.94,358 3.159,359 5.679,360 3.677,361 2.707,362 3.379,363 0.916,364 7.789,365 2.624,366 3.664,367 3.017,368 5.615,369 3.466,370 2.468,371 2.871,372 0.555,373 7.321,374 2.463,375 3.585,376 2.557,377 5.328,378 3.327,379 2.313,380 2.633,381 0.172,382 6.926,383 2.335,384 3.391,385 2.437,386 5.228,387 3.134,388 2.136,389 2.629,391 6.341,392 2.132,393 3.175,394 2.226,395 4.955,396 3.023,397 2.066,398 2.247,400 5.866,401 1.965,402 2.877,403 2.081,404 4.439,405 2.539,406 1.54,407 1.965,409 4.171,410 1.532,411 2.805,412 1.667,413 4.09,414 2.419,415 1.424,416 1.857,418 3.443,419 1.415,420 2.505,421 1.52,422 3.684,423 2.321,424 1.315,425 1.5,427 3.037,428 1.319,429 2.5,430 1.375,431 3.592,432 2,433 1,434 1.493,436 2.433,437 1,438 2.143,439 1.088,440 3.414,441 1.984,442 1,443 1.078,445 2.275,446 0.983,447 2,448 1.077,449 3.247,450 1.977,451 0.987,452 1,454 2.136,455 0.973,456 1.804,457 1.02,458 3.209,459 1.63,460 0.615,461 0.689,463 1.484,464 0.621,465 1.728,466 1,467 3.066,468 1.476,469 0.453,470 0.533,472 1.106,473 0.459,474 14.967,475 0.483,476 0.674,477 0.022,478 35,479 1.129,480 15.5,481 0.5,482 19.5,483 0.629,484 31.97,485 1.031,486 33.633,487 0.534,488 23.708,489 0.765,490 6.147,491 0.198,492 9.022,493 0.291,494 0.045,496 0.321,501 0.61,502 1.289,503 0.875,504 1.112,505 0.47,506 1.032,507 0.751,508 1.126,509 0.987,510 1.046,511 0.512,512 1.029,513 0.985,514 1.085,515 1.024,516 1.054,517 0.875,518 1.041,519 1.205,520 0.999,521 1.068,522 1.02,523 1.213,524 1.028,525 0.958,526 1.031,527 1.01,528 1.068,529 1.023,530 1.05,531 1.292,532 0.922,533 1.035,534 0.964,535 1.534,536 0.98,537 1.145,538 0.969,539 1.063,540 1.014,541 1.347,542 1.035,543 0.57,544 0.974,545 0.915,546 0.995,547 0.546,548 0.991,549 5.5,550 0.175,551 3.111,552 1.813,553 1.833,554 0.774,555 0.493,556 0.411,557 0.224,558 0.138,559 15675,560 31839,561 2.18,562 50.8,563 7,564 15,568 4,569 6,572 1.729,573 2.09,574 3.727,575 -0.863,582 84.187,583 1.336,584 3.074,585 4.391,586 5.172,587 5.247,588 5.279,589 3.216,590 4.696,591 4.926,592 3.922,593 1823.89,594 8.561,595 27097.1,597 1,600 376.569,601 1.215,602 4.907,603 0.157,604 0.007,605 0.063,606 0.035,607 0.041,608 0.02,609 0.015,610 0.014,611 0.008,612 0.005,613 0.366,614 0.33,615 0.88,616 0.415,617 164.294,618 0.026,619 -0.109,620 0.072,621 -0.007,622 0.024,623 0.027,624 0.035,625 0.006,626 -0.017,627 -0.018,628 0.028,629 -0.02,630 -0.051,631 -0.05,632 -0.044,633 -0.053,634 -0.012,635 -0.048,636 -0.091,637 -0.016,638 -0.073,639 -0.042,640 -0.07,641 -0.052,642 -0.015,643 -0.08,644 -0.033,645 -0.081,646 -0.015,647 -0.061,648 -0.033,649 0.012,650 -0.029,651 0.006,652 -0.107,653 -0.01,654 -0.024,655 -0.023,656 -0.071,657 -0.032,658 -0.093,659 -0.055,660 0.177,661 -0.032,662 0.047,663 -0.009,664 0.199,665 0.005,666 1.421,667 6.02,668 0.806,669 34.418,670 0.986,671 1.121,672 4.19,673 17.554,674 0.656,675 3.584,676 3.912,677 4.205,678 4.489,679 4.745,680 4.86,681 4.997,682 5.142,683 5.198,684 5.263,685 8.07,686 0.609,687 416.61,688 3.584,689 5.13,690 5.989,691 6.87,692 7.746,693 8.634,694 9.519,695 10.412,696 11.303,697 12.2,698 3.2,701 1,705 1,715 7,720 5,722 12,727 1,741 63,743 14,744 2,745 35,747 67,748 27,749 12,750 5,751 7,752 1,756 5,757 9,767 6,768 1,770 8,772 14,773 13,774 1,777 2,782 2,786 2,790 1,793 32,794 4,796 4,802 2,808 0.6,809 2,828 1,829 3,830 1,832 1,833 1,834 1,835 1,844 1,855 1,859 3,868 31,876 12,880 1,881 2,893 3.2,896 2,901 14.833,902 11.15,903 6.722,904 4.34,907 2.132,908 1.256,909 1.003,910 6.025,911 10.454,912 3.784,913 4.304,914 4.812,915 5.319,916 5.82,917 6.009,918 6.321,919 6.543,920 6.614,921 6.793,922 1,923 52,924 11.626,926 5.076,927 0.026,929 7.532,931 23.206,933 20.36,936 2.032,937 63,940 1,941 376.675,942 120.37,943 6.249,945 50.29,948 120.37,949 426.965,950 6.249,952 31.823,953 66.334,954 60.128,955 18.623,957 376.675,959 376.675,960 126.619,961 50.29,964 306.049,965 120.916,968 34.948,969 91.671,972 376.675,973 56.538,974 120.37,977 376.675,978 54.036,979 72.582,981 50.29,982 376.675,983 56.538,984 120.37,986 0.582,987 0.341,988 0.186,989 0.105,990 25,991 10,992 0.09,993 6,994 3,995 1.2,996 4.403,997 281.943,998 0.24,999 24,1000 145.58,1005 20.608,1006 9.063,1007 4.514,1009 56.538,1010 14.843,1015 5.771,1018 553.584,1019 43,1024 25.338,1028 0.523,1031 62.112,1032 70.643,1034 0.224,1035 0.514,1036 0.735,1037 0.865,1038 0.878,1039 0.883,1040 5.043,1041 1.54,1042 5.964,1043 5.866,1044 4.595,1045 4.99,1046 2.522,1047 6.77,1048 4.571,1049 6.206,1050 1.424,1051 7.514,1052 4.171,1053 4.111,1054 4.705,1055 1.738,1056 7.647,1057 4.075,1058 7.493,1059 1.315,1060 9.164,1061 3.443,1062 6.18,1063 7.044,1064 3.248,1065 10.772,1066 6.125,1067 8.811,1068 1,1069 10.875,1070 3.037,1071 6.538,1072 7.595,1073 3.151,1074 12.537,1075 6.465,1076 10.164,1077 1,1078 12.627,1079 2.433,1080 8.047,1081 9.421,1082 4.272,1083 15.183,1084 7.955,1085 11.542,1086 0.987,1087 14.41,1088 2.275,1089 8.809,1090 10.374,1091 4.544,1092 17.341,1093 8.694,1094 12.939,1095 0.615,1096 16.215,1097 2.136,1098 10.092,1099 11.991,1100 5.447,1101 19.841,1102 9.957,1103 3.268,1104 0.453,1105 18.039,1106 1.484,1107 11.058,1108 13.156,1109 5.913,1110 22.171,1111 10.896,1112 2.768,1113 11.616,1114 19.879,1115 1.106,1116 12.253,1117 14.675,1118 6.699,1119 24.63,1120 12.069,1121 2.707,1122 8.725,1123 21.732,1124 4.202,1125 13.32,1126 15.958,1127 7.263,1128 27.031,1129 13.109,1130 2.468,1131 7.789,1132 23.597,1133 3.457,1134 14.487,1135 17.43,1136 7.989,1137 29.481,1138 14.251,1139 2.313,1140 7.321,1141 25.471,1142 3.379,1143 15.606,1144 18.778,1145 8.603,1146 31.911,1147 15.342,1148 2.136,1149 6.926,1150 27.354,1151 2.871,1152 16.767,1153 20.228,1154 9.297,1155 34.36,1156 16.478,1157 2.066,1158 6.341,1159 29.244,1160 2.633,1161 17.913,1162 21.613,1163 9.936,1164 36.802,1165 17.595,1166 14294,1167 20495,1168 24.156,1169 41.341,1170 52.583,1171 54.358,1172 53.124,1173 52.218,1174 52.204,1175 63.157,1176 9.724,1177 149.545,1178 51.668,1179 5.56,1180 5.799,1181 6.713,1182 5.278,1183 5.268,1184 7.202,1185 3.348,1186 18.754,1187 5.191,1188 10.371,1189 1.502,1190 1.553,1191 1.518,1192 1.492,1193 1.492,1194 1.804,1195 0.278,1196 4.273,1197 1.476,1198 4.08,1199 4.112,1200 4.028,1201 4,1202 7.429,1203 4.002,1204 3.95,1205 3.997,1206 3.864,1207 3.866,1208 7.425,1209 3.86,1210 3.83,1211 3.874,1212 3.718,1213 3.728,1214 4.759,1215 3.718,1216 3.651,1217 3.687,1218 3.568,1219 3.503,1220 4.687,1221 3.509,1222 3.531,1223 3.594,1224 3.386,1225 3.395,1226 4.317,1227 3.385,1228 3.407,1229 3.467,1230 3.282,1231 3.244,1232 3.998,1233 3.244,1234 3.205,1235 3.259,1236 3.088,1237 3.041,1238 3.975,1239 3.041,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.877,1245 2.91,1246 0.13,1247 0.109,1248 0.197,1249 0.121,1250 0.093,1251 4.56,1252 0.12,1253 3.799,1254 0.055,1255 6.911,1256 0.332,1257 4.243,1258 0.091,1259 3.268,1260 4.202,1261 1.94,1262 11.616,1263 3.191,1264 1.956,1265 1.933,1266 2.107,1267 2.073,1268 1.485,1269 2.087,1270 1.926,1271 1.893,1272 2.042,1273 2.012,1274 1.317,1275 2.022,1276 1.832,1277 1.784,1278 2.005,1279 1.944,1280 1.171,1281 1.967,1282 1.646,1283 1.597,1284 1.854,1285 1.845,1286 1.128,1287 1.844,1288 1.509,1289 1.453,1290 1.748,1291 1.71,1292 1.049,1293 1.724,1294 1.485,1295 1.424,1296 1.717,1297 1.667,1298 0.987,1299 1.694,1300 1.217,1301 1.16,1302 1.513,1303 1.42,1304 0.825,1305 1.434,1306 1.153,1307 1.064,1308 1.463,1309 1.376,1310 0.692,1311 1.429,1312 4.263,1314 5.587,1315 2.398,1316 7.099,1317 4.844,1318 8.697,1319 7.05,1320 10.345,1328 11.381,1332 0.653,1333 4.49,1340 38.374,1341 84.187,1342 193.659,1343 276.652,1344 325.814,1345 330.569,1346 332.569,1347 54.555,1348 8.322,1349 40.62,1350 40.62,1351 30,1352 12.726,1353 3.907,1354 3.17,1355 44.083,1356 152,1357 153,1358 0.139,1359 230.959,1360 410.52,1361 555.299,1362 57403,1364 21.209,1365 0.684,1366 0.591,1367 21.209,1368 18.315,1369 15.17,1370 0.433,1371 0.341,1372 11.843,1373 14.839,1374 11.594,1375 9.509,1376 15.17,1377 11.928,1378 13.66,1379 0.279,1380 0.193,1381 13.66,1382 9.459,1383 11.823,1384 0.179,1385 0.111,1386 11.823,1387 7.338,1388 9.921,1389 0.113,1390 0.063,1391 9.921,1392 5.562,1393 8.367,1394 0.073,1395 0.037,1396 8.367,1397 4.188,1398 0.227,1399 93.324,1400 0.203,1401 29.752,1402 0.36,1403 168,1404 384.761,1405 177.147,1406 376.057,1407 518.49,1408 354,1409 199,1410 378.907,1411 208.982,1412 385.858,1413 567.94,1414 366,1415 7.28}
{0 CHEMBL1651246,1 1.593,2 13.966,3 4.062,4 16.497,5 116.769,6 7.386,7 0.5,8 4.118,9 4.227,10 3.827,11 3.693,12 5.091,13 3.634,14 4.701,15 4.87,16 4.057,17 4.089,18 5.846,19 4.014,20 4.991,21 5.216,22 4.005,23 4.22,24 5.902,25 4.096,26 5.047,27 5.31,28 3.94,29 4.197,30 5.861,31 4.034,32 4.976,33 5.237,34 3.886,35 4.105,36 5.84,37 3.959,38 4.881,39 5.126,40 3.865,41 4.047,42 5.817,43 3.909,44 4.807,45 5.054,46 3.711,47 3.947,48 5.729,49 3.81,50 4.651,51 4.91,52 3.468,53 3.81,54 5.414,55 3.631,56 0.126,57 0.834,58 15.328,59 5.785,60 16.769,61 7.318,62 0.323,63 1.374,64 26.917,65 9.891,66 57.661,67 12.87,68 0.352,69 1.679,70 34.376,71 12.436,72 54.902,73 16.949,74 0.342,75 1.718,76 39.44,77 13.977,78 45.608,79 19.218,80 0.405,81 1.561,82 37.098,83 12.745,84 54.304,85 17.325,86 0.468,87 1.446,88 32.098,89 11.28,90 57.111,91 15.742,92 0.415,93 1.323,94 29.239,95 10.376,96 48.212,97 14.3,98 0.272,99 1.153,100 26.767,101 9.519,102 29.439,103 12.993,104 12,105 45,106 0.261,107 0.565,108 0.749,109 0.824,110 0.832,111 0.832,112 3.407,113 1.123,114 -3.7,115 -3.66,116 -3.49,121 39.3,123 4,124 1,126 1,127 3,144 8,145 2,146 1,148 1,154 1,168 1,176 12,179 1,180 7,183 2,185 2,187 14,192 8,197 1,200 8,206 11,209 1,211 1,214 6,219 7,222 1,227 10,231 2,232 4,237 1,239 11,243 3,244 1,249 1,251 11,255 1,256 3,261 1,264 5,269 5,274 2,277 4,281 1407,282 19.411,283 19.411,284 19.411,285 19.411,286 19.411,287 17.154,288 18.738,289 11.505,290 19.662,291 15.869,292 15.869,293 15.869,294 15.869,295 15.869,296 12.461,297 18.174,298 5.564,299 16.298,300 4.214,301 2.354,302 1.232,303 0.777,304 0.728,305 0.728,306 4.105,311 1,312 1,313 879,314 3.674,317 71.164,318 288.861,321 129.852,325 2.312,326 26.23,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 62.5,338 405,339 4.654,340 4.311,341 6.55,342 4.123,343 3.164,344 4.52,345 0.916,346 10.39,347 3.071,348 4.53,349 3.159,350 6.443,351 4.016,352 3.05,353 4.416,354 0.172,355 10.128,356 2.885,357 3.941,358 3.017,359 5.617,360 3.688,361 2.725,362 3.457,364 7.79,365 2.633,366 3.705,367 2.584,368 5.379,369 3.474,370 2.477,371 3.139,373 7.035,374 2.471,375 3.592,376 2.494,377 5.3,378 3.258,379 2.288,380 2.641,382 6.81,383 2.214,384 3.229,385 2.23,386 4.967,387 3.029,388 2.073,389 2.477,391 5.88,392 1.971,393 3.126,394 1.933,395 4.891,396 2.754,397 1.769,398 2.234,400 5.381,401 1.74,402 2.867,403 1.518,404 4.207,405 2.428,406 1.434,407 2.016,409 3.765,410 1.424,411 2.811,412 1.457,413 3.594,414 2.392,415 1.404,416 1.906,418 3.042,419 1.385,420 2.5,421 1.077,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.175,430 1,431 3.316,432 1.984,433 1,434 1.057,436 2.136,437 0.983,438 2,439 0.865,440 3.247,441 1.807,442 0.82,443 1,445 1.924,446 0.809,447 1.75,448 0.777,449 3.208,450 1.521,451 0.529,452 0.643,454 1.281,455 0.524,456 1.268,457 0.538,458 3.068,459 1.068,460 0.095,461 0.106,463 0.243,464 0.092,465 1.153,466 0.28,467 2.785,468 0.853,469 -0.11,470 -0.132,472 -0.323,473 -0.106,474 14.033,475 0.484,476 0.798,477 0.028,478 35.75,479 1.233,480 17.5,481 0.603,482 18.25,483 0.629,484 26.09,485 0.9,486 32.167,487 0.574,488 24.539,489 0.846,490 6.52,491 0.225,492 7.44,493 0.257,494 0.083,495 0.059,496 0.242,501 0.506,502 1.323,503 0.847,504 1.245,505 0.622,506 1.023,507 0.689,508 1.214,509 1.064,510 1.167,511 0.449,512 1.049,513 1.075,514 1.034,515 0.924,516 0.927,517 1.041,518 1.065,519 0.683,520 1.007,521 0.877,522 0.976,523 0.425,524 1.005,525 0.917,526 0.902,527 0.833,528 0.888,529 0.843,530 0.933,531 0.701,532 0.98,533 0.792,534 0.923,535 0.661,536 1.004,537 0.941,538 0.914,539 0.834,540 0.879,541 0.585,542 1.017,543 0.722,544 1.026,545 1.006,546 1.044,547 0.479,548 1.097,549 7,550 0.136,551 2.444,552 1.667,553 1.267,554 0.698,555 0.64,556 0.414,557 0.182,558 0.153,559 12867,560 33452,561 2.103,562 48.2,563 3,564 17,567 1,568 2,569 4,572 1.711,573 1.989,574 3.72,575 -0.336,577 1,582 89.213,583 1.593,584 3.454,585 4.575,586 5.03,587 5.08,588 5.08,589 3.237,590 4.349,591 4.826,592 3.943,593 1600.95,594 8.361,595 23217.8,597 1,599 1,600 325.212,601 1.428,602 4.792,603 0.219,604 0.007,605 0.054,606 0.042,607 0.035,608 0.021,609 0.019,610 0.014,611 0.008,612 0.008,613 0.427,614 0.33,615 1,616 0.841,617 151.76,618 0.203,619 -0.094,620 0.222,621 -0.055,622 -0.084,623 0.023,624 0.183,625 -0.082,626 -0.074,627 -0.115,628 0.333,629 -0.054,630 -0.152,631 -0.032,632 -0.102,633 -0.031,634 -0.115,635 -0.099,636 0.042,637 -0.056,638 0.031,639 -0.033,640 0.09,641 -0.01,642 -0.016,643 0.026,644 0.062,645 0.032,646 -0.025,647 0.048,648 0.173,649 -0.029,650 0.054,651 -0.019,652 0.073,653 -0.026,654 0.033,655 0.029,656 -0.023,657 -0.013,658 0.06,659 -0.056,660 0.008,661 -0.072,662 -0.084,663 -0.085,664 -0.02,665 -0.099,666 4.221,667 4.384,668 0.724,669 36.297,670 0.999,671 1.125,672 2.465,673 6.078,674 0.664,675 3.497,676 3.829,677 4.007,678 4.277,679 4.466,680 4.511,681 4.673,682 4.82,683 4.787,684 4.836,685 8.135,686 0.62,687 413.59,688 3.497,689 5.043,690 5.866,691 6.744,692 7.582,693 8.462,694 9.309,695 10.19,696 11.043,697 11.925,698 5.4,701 1,703 1,708 1,714 2,715 8,716 1,718 1,720 3,722 16,741 56,743 18,744 2,745 32,747 59,748 22,749 13,750 4,751 8,756 4,757 5,767 2,768 1,770 4,772 13,773 9,774 1,777 2,780 1,782 2,790 1,793 27,794 6,795 1,796 7,797 1,801 1,802 3,808 0.75,809 3,828 1,829 3,832 1,855 1,859 3,862 1,864 1,868 29,872 1,876 7,877 1,880 1,881 1,893 5.4,896 2,898 1,901 14.583,902 10.067,903 6.181,904 3.432,907 3.069,908 1.395,909 0.993,910 6.117,911 10.847,912 3.761,913 4.379,914 4.815,915 5.411,916 5.88,917 6.131,918 6.546,919 6.93,920 6.841,921 6.938,922 1,923 40,924 10.909,926 4.806,927 0.026,929 7.71,931 21.07,933 17.953,936 2.21,937 64.083,939 1,940 1,941 306.049,942 121.371,943 39.126,945 54.047,947 5.807,948 115.564,949 360.096,950 39.126,951 7.19,952 16.455,953 81.617,954 80.315,955 24.13,956 4.836,957 306.049,959 306.049,960 154.69,961 54.047,962 5.807,964 258.964,965 101.131,968 22.336,969 96.352,970 41.809,972 306.049,973 93.173,974 121.371,976 5.807,977 306.049,978 32.563,979 86.125,980 16.405,981 73.644,982 306.049,983 93.173,984 121.371,986 0.585,987 0.307,988 0.167,989 0.091,990 22,991 9,992 0.119,993 7,994 1,995 1.095,996 4.253,997 243.649,998 0.095,999 21,1000 130.881,1004 1,1005 20.243,1006 8.764,1007 5.52,1008 1.58,1009 93.173,1010 15.983,1011 4.225,1013 5.434,1015 2.829,1017 16.405,1018 520.593,1019 42,1022 -3.304,1024 22.768,1031 55.967,1032 63.026,1034 0.274,1035 0.595,1036 0.788,1037 0.866,1038 0.875,1039 0.875,1040 5.004,1041 1.434,1042 5.872,1043 5.381,1044 4.511,1045 5.066,1046 0.918,1047 6.663,1048 4.457,1049 6.225,1050 1.404,1051 7.416,1052 3.765,1053 4.205,1054 5.112,1055 0.325,1056 7.687,1057 4.074,1058 7.559,1059 1,1060 9.062,1061 3.042,1062 6.138,1063 7.355,1064 0.671,1065 10.632,1066 6.018,1067 8.93,1068 1,1069 10.768,1070 2.275,1071 6.608,1072 8.223,1073 0.393,1074 12.438,1075 6.408,1076 10.337,1077 0.82,1078 12.513,1079 2.136,1080 8.05,1081 10.003,1082 0.533,1083 14.957,1084 7.852,1085 11.768,1086 0.529,1087 14.284,1088 1.924,1089 8.868,1090 11.223,1091 0.384,1092 17.073,1093 8.599,1094 13.219,1095 0.095,1096 16.074,1097 1.281,1098 10.116,1099 12.833,1100 0.438,1101 19.461,1102 9.835,1103 3.164,1104 -0.11,1105 17.878,1106 0.243,1107 11.099,1108 14.207,1109 0.351,1110 21.702,1111 10.758,1112 3.05,1113 10.39,1114 19.694,1115 -0.323,1116 12.269,1117 15.75,1118 0.366,1119 24.048,1120 11.906,1121 2.725,1122 10.128,1123 21.52,1124 4.52,1125 13.329,1126 17.192,1127 0.312,1128 26.341,1129 12.915,1130 2.477,1131 7.79,1132 23.353,1133 4.416,1134 14.471,1135 18.708,1136 0.309,1137 28.674,1138 14.028,1139 2.288,1140 7.035,1141 25.193,1142 3.457,1143 15.568,1144 20.181,1145 0.273,1146 30.988,1147 15.081,1148 2.073,1149 6.81,1150 27.038,1151 3.139,1152 16.701,1153 21.686,1154 0.262,1155 33.318,1156 16.181,1157 1.769,1158 5.88,1159 28.887,1160 2.641,1161 17.816,1162 23.172,1163 0.236,1164 35.641,1165 17.257,1166 12144,1167 19879,1168 21.553,1169 37.165,1170 47.636,1171 48.942,1172 47.652,1173 47.782,1174 47.653,1175 62.221,1176 2.178,1177 136.157,1178 46.402,1179 5.654,1180 6.311,1181 6.351,1182 5.158,1183 5.164,1184 7.52,1185 1.605,1186 17.159,1187 5.071,1188 12.846,1189 1.489,1190 1.529,1191 1.489,1192 1.493,1193 1.489,1194 1.944,1195 0.068,1196 4.255,1197 1.45,1198 4.122,1199 4.134,1200 4.716,1201 4.031,1202 7.718,1203 4.018,1204 3.95,1205 3.993,1206 4.052,1207 3.873,1208 6.999,1209 3.859,1210 3.912,1211 3.885,1212 3.863,1213 3.856,1214 5.258,1215 3.742,1216 3.812,1217 3.845,1218 3.699,1219 3.71,1220 4.756,1221 3.692,1222 3.462,1223 3.524,1224 3.358,1225 3.32,1226 4.473,1227 3.312,1228 3.256,1229 3.311,1230 3.159,1231 3.078,1232 4.32,1233 3.082,1234 3.111,1235 3.206,1236 2.916,1237 2.941,1238 3.971,1239 2.91,1240 3.069,1241 3.132,1242 2.866,1243 2.883,1244 3.822,1245 2.884,1246 0.145,1247 0.135,1248 0.205,1249 0.129,1250 0.099,1251 4.654,1252 0.141,1253 4.311,1254 0.029,1255 6.55,1256 0.325,1257 4.123,1258 0.096,1259 3.164,1260 4.52,1261 0.916,1262 10.39,1263 3.071,1264 1.958,1265 1.941,1266 2.106,1267 2.072,1268 1.487,1269 2.088,1270 1.927,1271 1.894,1272 2.028,1273 2.03,1274 1.209,1275 2.047,1276 1.834,1277 1.791,1278 1.985,1279 1.95,1280 1.142,1281 1.975,1282 1.674,1283 1.705,1284 1.73,1285 1.801,1286 1.008,1287 1.862,1288 1.487,1289 1.432,1290 1.603,1291 1.701,1292 0.914,1293 1.705,1294 1.213,1295 1.151,1296 1.513,1297 1.45,1298 0.825,1299 1.443,1300 1.153,1301 1.064,1302 1.461,1303 1.376,1304 0.689,1305 1.429,1306 1.004,1307 0.955,1308 1.247,1309 1.279,1310 0.446,1311 1.264,1312 4.174,1314 5.501,1315 2.398,1316 7,1317 4.727,1318 8.574,1319 6.823,1320 10.187,1322 1.133,1328 7.722,1329 2.467,1332 0.708,1333 2.535,1340 34.717,1341 89.213,1342 193.398,1343 256.192,1344 281.702,1345 284.457,1346 284.457,1347 52.726,1348 7.778,1349 75.44,1350 83.82,1351 23,1352 12.465,1353 4.248,1354 3.459,1355 45.176,1356 143,1357 132,1358 0.153,1359 215.239,1360 366.42,1361 516.944,1362 28941,1364 20.269,1365 0.699,1366 0.603,1367 20.519,1368 17.49,1369 13.96,1370 0.436,1371 0.374,1372 10.137,1373 12.751,1374 9.713,1375 8.047,1376 14.887,1377 11.977,1378 13.409,1379 0.298,1380 0.216,1381 14.791,1382 9.707,1383 9.868,1384 0.183,1385 0.115,1386 10.319,1387 6.202,1388 8.489,1389 0.12,1390 0.065,1391 9.015,1392 4.618,1393 6.737,1394 0.078,1395 0.038,1396 7.098,1397 3.275,1398 0.251,1399 96.386,1400 0.215,1401 28.393,1402 0.392,1403 154,1404 427.69,1405 197.572,1406 433.864,1407 586.63,1408 400,1409 176,1410 413.21,1411 227.535,1412 448.216,1413 638.01,1414 417,1415 7.85}
{0 CHEMBL1651247,1 1.26,2 14.567,3 6.869,4 47.189,5 124.125,6 6.291,7 0.471,8 4.227,9 4.357,10 3.674,11 3.811,12 5.103,13 3.743,14 4.84,15 5.034,16 4.008,17 4.258,18 5.604,19 4.152,20 5.18,21 5.436,22 4.018,23 4.421,24 5.846,25 4.259,26 5.248,27 5.535,28 3.892,29 4.375,30 5.878,31 4.183,32 5.138,33 5.427,34 3.834,35 4.267,36 5.779,37 4.09,38 5.022,39 5.282,40 3.819,41 4.197,42 5.738,43 4.043,44 4.949,45 5.208,46 3.693,47 4.095,48 5.674,49 3.937,50 4.782,51 5.043,52 3.482,53 3.945,54 5.474,55 3.767,56 0.124,57 0.883,58 15.597,59 6.732,60 11.471,61 9.452,62 0.167,63 1.551,64 28.797,65 11.726,66 16.536,67 16.811,68 0.243,69 2.023,70 40.137,71 16.248,72 24.994,73 23.463,74 0.298,75 2.077,76 43.024,77 16.82,78 28.719,79 24.455,80 0.284,81 1.844,82 38.619,83 14.992,84 26.2,85 21.711,86 0.285,87 1.681,88 34.798,89 13.09,90 26.164,91 18.868,92 0.33,93 1.546,94 32.587,95 11.961,96 27.518,97 17.119,98 0.277,99 1.311,100 27.292,101 10.405,102 21.998,103 14.996,105 46,106 0.202,107 0.465,108 0.653,109 0.779,110 0.82,111 0.82,112 3.44,113 1.058,114 -6.18,115 -6.02,116 -5.59,121 42.2,123 9,124 2,127 3,144 8,145 3,148 1,154 1,168 1,176 21,180 7,187 25,192 9,200 19,206 9,214 14,219 8,227 17,232 6,239 16,243 1,244 4,251 16,255 1,256 2,264 12,269 3,277 11,281 1538,282 21.085,283 21.085,284 21.085,285 21.085,286 21.085,287 19.229,288 18.716,289 12.764,290 21.227,291 16.852,292 16.852,293 16.852,294 16.852,295 16.852,296 14.083,297 17.64,298 6.142,299 17.078,300 4.74,301 3.097,302 1.922,303 1.133,304 0.875,305 0.875,306 4.158,312 1,313 982,314 2.646,317 71.252,318 391.256,321 128.996,325 2.404,326 12.054,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 62,338 437,339 4.556,340 3.213,341 6.554,342 4.105,343 3.112,344 4.505,345 0.916,346 10.382,347 3.091,348 3.968,349 3.02,350 6.114,351 3.76,352 2.766,353 3.457,354 0.172,355 8.96,356 2.752,357 3.94,358 2.969,359 5.617,360 3.684,361 2.719,362 3.334,364 7.789,365 2.63,366 3.607,367 2.561,368 5.343,369 3.468,370 2.469,371 2.655,373 6.971,374 2.466,375 3.315,376 2.275,377 5.118,378 3.074,379 2.11,380 2.537,382 6.043,383 2.032,384 3.143,385 2.074,386 4.945,387 2.946,388 1.966,389 2.239,391 5.785,392 1.917,393 3.031,394 1.78,395 4.417,396 2.715,397 1.718,398 2.185,400 4.361,401 1.712,402 2.831,403 1.518,404 4.207,405 2.442,406 1.447,407 1.93,409 3.746,410 1.438,411 2.787,412 1.468,413 3.594,414 2.408,415 1.415,416 1.859,418 3.042,419 1.404,420 2.5,421 1.118,422 3.506,423 2.095,424 1.097,425 1.5,427 2.659,428 1.095,429 2.257,430 1.077,431 3.414,432 2,433 1,434 1.225,436 2.275,437 1,438 2.139,439 1,440 3.316,441 2,442 1,443 1.04,445 2.136,446 1,447 2,448 1,449 3.247,450 1.984,451 1,452 1,454 2.136,455 0.983,456 2,457 0.857,458 3.247,459 1.807,460 0.82,461 1,463 1.923,464 0.808,465 1.715,466 0.531,467 3.125,468 1.483,469 0.489,470 0.595,472 1.194,473 0.486,474 14.633,475 0.488,476 0.496,477 0.017,478 32.5,479 1.083,480 14,481 0.467,482 18.5,483 0.617,484 31.396,485 1.047,486 32.767,487 0.512,488 19.354,489 0.645,490 5.412,491 0.18,492 9.436,493 0.315,496 0.267,501 0.665,502 1.2,503 0.94,504 1.11,505 0.615,506 1.056,507 0.979,508 1.183,509 1.063,510 1.128,511 0.736,512 1.099,513 0.846,514 1.091,515 1.021,516 1.078,517 0.76,518 1.062,519 1.009,520 1.015,521 0.997,522 1.004,523 0.988,524 1,525 1.137,526 0.909,527 0.92,528 0.894,529 1.149,530 0.894,531 1.583,532 1.03,533 1.084,534 1.009,535 1.602,536 1.013,537 1.958,538 0.985,539 1.18,540 1,541 1.91,542 1.036,543 1.487,544 1.067,545 1.175,546 1.061,547 1.555,548 1.097,549 4.5,550 0.091,551 2.667,552 1.229,553 1.018,554 0.611,555 0.542,556 0.307,557 0.12,558 0.158,559 15159,560 26188,561 2.228,562 53.1,563 14,564 14,568 2,569 4,572 1.72,573 2.195,574 3.799,575 -0.891,582 80.644,583 1.26,584 2.903,585 4.078,586 4.867,587 5.125,588 5.125,589 3.228,590 4.282,591 4.875,592 3.979,593 1730.82,594 8.458,595 25662.2,600 384,601 0.837,602 4.881,603 0.132,604 0.004,605 0.058,606 0.028,607 0.028,608 0.017,609 0.015,610 0.01,611 0.005,612 0.008,613 0.305,614 0.5,615 0.75,617 158.635,618 0.271,619 -0.015,620 0.09,621 0.018,622 0.313,623 0.036,624 -0.027,625 -0.065,626 -0.049,627 -0.074,628 0.104,629 -0.063,630 -0.006,631 -0.079,632 -0.041,633 -0.075,634 0.08,635 -0.062,636 -0.019,637 -0.05,638 -0.017,639 -0.038,640 -0.018,641 -0.029,642 -0.017,643 0.048,644 0.068,645 0.068,646 -0.088,647 0.073,648 -0.102,649 -0.028,650 -0.063,651 -0.04,652 -0.234,653 -0.047,654 -0.157,655 0.016,656 -0.14,657 -0.044,658 -0.311,659 -0.086,660 -0.056,661 -0.076,662 -0.161,663 -0.089,664 -0.249,665 -0.13,666 0.675,667 2.246,668 0.9,669 38.236,670 0.979,671 1.123,672 4.945,673 24.455,674 0.651,675 3.555,676 3.85,677 4.127,678 4.382,679 4.605,680 4.635,681 4.82,682 4.963,683 5.017,684 5.124,685 8.302,686 0.597,687 402.63,688 3.555,689 5.081,690 5.927,691 6.788,692 7.646,693 8.513,694 9.378,695 10.25,696 11.119,697 11.993,698 3.1,701 1,708 1,714 2,715 8,716 1,718 1,720 3,722 16,741 64,743 16,744 2,745 34,747 68,748 27,749 13,750 4,751 8,756 5,757 6,767 7,768 2,770 9,772 13,773 14,774 2,793 34,794 3,796 3,801 1,802 2,808 0.8,809 1,828 1,829 4,832 1,855 1,859 4,868 30,876 12,880 2,881 1,893 1.6,898 1,901 13.667,902 11.15,903 6.583,904 4.522,907 2.943,908 1.361,909 0.997,910 6.293,911 11.093,912 3.761,913 4.301,914 4.863,915 5.426,916 5.909,917 6.157,918 6.567,919 6.906,920 6.904,921 7.097,922 0.9,923 44,924 11.184,926 4.764,927 0.026,929 7.283,931 22.879,933 20.026,936 1.783,937 53.5,941 400.217,942 121.475,943 22.721,945 9.734,948 121.475,949 409.952,950 22.721,952 29.128,953 75.81,954 19.597,955 24.559,956 4.836,957 400.217,959 400.217,960 144.196,961 9.734,964 353.133,965 56.819,968 35.009,969 89.59,970 19.597,972 400.217,973 32.455,974 121.475,977 400.217,978 45.665,979 78.934,981 29.331,982 400.217,983 32.455,984 121.475,986 0.571,987 0.331,988 0.181,989 0.099,990 23,991 8,992 0.088,993 6,994 1,995 1.074,996 4.479,997 261.801,998 0.074,999 27,1000 135.207,1005 19.97,1006 9.453,1007 4.871,1008 2.224,1009 32.455,1010 17.729,1011 4.451,1013 5.746,1015 4.042,1018 554.147,1019 42,1031 62.669,1032 71.849,1034 0.21,1035 0.484,1036 0.68,1037 0.811,1038 0.854,1039 0.854,1040 4.99,1041 1.447,1042 5.872,1043 4.361,1044 4.533,1045 4.987,1046 0.918,1047 6.632,1048 4.507,1049 6.138,1050 1.415,1051 7.388,1052 3.746,1053 3.892,1054 4.605,1055 0.325,1056 7.402,1057 3.845,1058 7.409,1059 1.097,1060 9.004,1061 3.042,1062 6.071,1063 7.113,1064 0.671,1065 10.499,1066 6.02,1067 8.716,1068 1,1069 10.682,1070 2.659,1071 6.312,1072 7.691,1073 0.393,1074 12.157,1075 6.246,1076 10.064,1077 1,1078 12.401,1079 2.275,1080 7.884,1081 9.619,1082 0.533,1083 14.73,1084 7.813,1085 11.439,1086 1,1087 14.15,1088 2.136,1089 8.553,1090 10.672,1091 0.384,1092 16.76,1093 8.471,1094 12.838,1095 0.82,1096 15.921,1097 2.136,1098 9.858,1099 12.353,1100 0.438,1101 19.159,1102 9.77,1103 3.112,1104 0.489,1105 17.708,1106 1.923,1107 10.744,1108 13.642,1109 0.351,1110 21.351,1111 10.648,1112 2.766,1113 10.382,1114 19.508,1115 1.194,1116 11.929,1117 15.217,1118 0.366,1119 23.692,1120 11.828,1121 2.719,1122 8.96,1123 21.318,1124 4.505,1125 12.926,1126 16.62,1127 0.312,1128 25.956,1129 12.818,1130 2.469,1131 7.789,1132 23.137,1133 3.457,1134 14.061,1135 18.151,1136 0.309,1137 28.282,1138 13.947,1139 2.11,1140 6.971,1141 24.964,1142 3.334,1143 15.114,1144 19.607,1145 0.273,1146 30.579,1147 14.995,1148 1.966,1149 6.043,1150 26.796,1151 2.655,1152 16.231,1153 21.121,1154 0.262,1155 32.903,1156 16.106,1157 1.718,1158 5.785,1159 28.634,1160 2.537,1161 17.314,1162 22.602,1163 0.236,1164 35.217,1165 17.184,1166 13756,1167 18214,1168 24.038,1169 41.648,1170 50.522,1171 50.399,1172 50.522,1173 50.404,1174 50.39,1175 62.272,1176 2.178,1177 139.139,1178 49.757,1179 5.556,1180 5.213,1181 6.356,1182 5.14,1183 5.112,1184 7.505,1185 1.605,1186 17.18,1187 5.091,1189 1.486,1190 1.482,1191 1.486,1192 1.482,1193 1.482,1194 1.832,1195 0.064,1196 4.092,1197 1.463,1198 4.12,1199 4.14,1200 4.08,1201 4.024,1202 5.257,1203 4.031,1204 3.948,1205 3.993,1206 3.863,1207 3.865,1208 4.756,1209 3.859,1210 3.845,1211 3.895,1212 3.721,1213 3.741,1214 4.469,1215 3.729,1216 3.803,1217 3.851,1218 3.683,1219 3.691,1220 4.32,1221 3.681,1222 3.468,1223 3.534,1224 3.339,1225 3.331,1226 4.17,1227 3.324,1228 3.284,1229 3.343,1230 3.165,1231 3.114,1232 3.958,1233 3.115,1234 3.111,1235 3.206,1236 2.917,1237 2.941,1238 3.763,1239 2.919,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.674,1245 2.91,1246 0.134,1247 0.095,1248 0.193,1249 0.121,1250 0.092,1251 4.556,1252 0.133,1253 3.213,1254 0.027,1255 6.554,1256 0.305,1257 4.105,1258 0.091,1259 3.112,1260 4.505,1261 0.916,1262 10.382,1263 3.091,1264 1.998,1265 1.973,1266 2.141,1267 2.087,1268 1.509,1269 2.106,1270 1.933,1271 1.896,1272 2.101,1273 2.063,1274 1.485,1275 2.079,1276 1.847,1277 1.8,1278 2.018,1279 1.957,1280 1.2,1281 1.981,1282 1.776,1283 1.73,1284 1.945,1285 1.898,1286 1.138,1287 1.917,1288 1.497,1289 1.438,1290 1.727,1291 1.71,1292 0.995,1293 1.711,1294 1.229,1295 1.166,1296 1.513,1297 1.45,1298 0.825,1299 1.447,1300 1.153,1301 1.064,1302 1.513,1303 1.376,1304 0.825,1305 1.429,1306 1.153,1307 1.064,1308 1.477,1309 1.376,1310 0.776,1311 1.429,1312 4.234,1314 5.533,1315 2.398,1316 7.031,1317 4.727,1318 8.611,1319 6.823,1320 10.233,1328 15.177,1332 1.531,1333 2.601,1340 38.186,1341 80.644,1342 185.789,1343 260.98,1344 311.471,1345 328,1346 328,1347 40.344,1348 8.15,1349 29.27,1350 29.27,1351 29,1352 12.535,1353 4.087,1354 3.17,1355 42.036,1356 151,1357 142,1358 0.134,1359 229.89,1360 393.47,1361 552.691,1362 46899,1364 20.175,1365 0.673,1366 0.602,1367 20.175,1368 18.061,1369 14.848,1370 0.437,1371 0.353,1372 11.923,1373 14.556,1374 11.679,1375 9.656,1376 14.848,1377 11.995,1378 12.936,1379 0.281,1380 0.206,1381 12.936,1382 9.464,1383 11.215,1384 0.184,1385 0.121,1386 11.215,1387 7.393,1388 9.411,1389 0.119,1390 0.07,1391 9.411,1392 5.492,1393 7.75,1394 0.078,1395 0.042,1396 7.75,1397 4.16,1398 0.219,1399 91.066,1400 0.204,1401 29.246,1402 0.342,1403 160,1404 323.026,1405 167.345,1406 320.029,1407 455.89,1408 304,1409 187,1410 353.136,1411 195.815,1412 357.832,1413 520.94,1414 339,1415 9.1}
{0 CHEMBL1651248,1 1.468,2 14.645,3 5.296,4 28.047,5 120.109,6 7.216,7 0.457,8 4.151,9 4.267,10 3.702,11 3.744,12 5.176,13 3.707,14 4.748,15 4.922,16 4.089,17 4.188,18 5.739,19 4.126,20 5.076,21 5.293,22 4.14,23 4.353,24 6.068,25 4.253,26 5.143,27 5.392,28 3.999,29 4.318,30 6.064,31 4.183,32 5.042,33 5.309,34 3.855,35 4.192,36 5.902,37 4.04,38 4.929,39 5.172,40 3.787,41 4.073,42 5.933,43 3.943,44 4.84,45 5.089,46 3.662,47 4.007,48 5.745,49 3.858,50 4.784,51 5.05,52 3.625,53 3.926,54 5.763,55 3.782,56 0.009,57 0.873,58 12.041,59 5.782,60 5.194,61 7.509,62 0.159,63 1.52,64 23.897,65 10.038,66 19.72,67 13.483,68 0.285,69 1.965,70 35.723,71 14.176,72 56.724,73 18.953,74 0.385,75 1.955,76 39.842,77 15.191,78 67.032,79 20.727,80 0.237,81 1.701,82 36.009,83 14.143,84 47.695,85 19.879,86 0.475,87 1.561,88 32.624,89 12.197,90 72.771,91 16.371,92 0.307,93 1.432,94 29.354,95 11.492,96 52.197,97 15.676,98 0.347,99 1.463,100 28.389,101 10.958,102 72.788,103 14.854,104 10,105 50,106 0.238,107 0.559,108 0.758,109 0.843,110 0.843,111 0.843,112 3.471,113 0.963,114 -5.24,115 -5.13,116 -4.8,121 44.8,123 6,124 1,127 3,144 7,145 4,146 1,153 1,154 1,159 1,160 1,176 15,179 1,180 10,187 16,192 10,200 14,206 10,214 13,219 7,227 14,231 1,232 3,239 16,243 1,244 2,251 12,255 1,256 4,264 9,269 6,277 5,281 1613,282 21.118,283 21.118,284 21.118,285 21.118,286 21.118,287 19.037,288 24.07,289 12.257,290 21.331,291 17.276,292 17.276,293 17.276,294 17.276,295 17.276,296 13.925,297 26.181,298 5.873,299 17.622,300 4.39,301 2.412,302 1.184,303 0.655,304 0.655,305 0.655,306 4.183,311 1,312 1,313 1019,314 3.317,317 65.565,318 375.963,321 240.406,322 136.091,323 150.798,325 2.26,326 32.875,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 66.5,338 454,339 4.706,340 3.75,341 6.917,342 4.255,343 3.28,344 4.657,345 1.886,346 11.635,347 3.203,348 4.088,349 3.603,350 6.06,351 3.772,352 2.77,353 3.62,354 1.277,355 8.715,356 2.783,357 4.032,358 3.049,359 5.656,360 3.697,361 2.722,362 3.543,363 0.916,364 7.82,365 2.643,366 3.685,367 3.039,368 5.626,369 3.515,370 2.533,371 2.984,372 0.172,373 7.236,374 2.491,375 3.637,376 2.861,377 5.356,378 3.296,379 2.292,380 2.828,382 6.983,383 2.3,384 3.486,385 2.488,386 5.235,387 3.168,388 2.208,389 2.785,391 6.367,392 2.113,393 3.411,394 2.319,395 5.079,396 3.113,397 2.119,398 2.555,400 6.22,401 2.08,402 3.072,403 2.171,404 4.784,405 2.844,406 1.895,407 2.126,409 5.383,410 1.784,411 2.906,412 1.967,413 4.453,414 2.487,415 1.478,416 1.964,418 4.144,419 1.484,420 2.604,421 1.488,422 4.089,423 2.222,424 1.232,425 1.596,427 3.365,428 1.215,429 2.5,430 1.145,431 3.645,432 2,433 1,434 1.5,436 2.288,437 1,438 2.333,439 1.099,440 3.414,441 1.984,442 1,443 1.269,445 2.275,446 0.983,447 2,448 1.077,449 3.414,450 1.898,451 0.911,452 1,454 2.275,455 0.897,456 1.766,457 1,458 3.144,459 1.597,460 0.576,461 0.646,463 1.351,464 0.584,465 1.647,466 0.812,467 2.934,468 1.24,469 0.224,470 0.284,472 0.543,473 0.222,474 14.752,475 0.476,476 0.78,477 0.025,478 36.75,479 1.185,480 17,481 0.548,482 19.75,483 0.637,484 29.305,485 0.945,486 33.248,487 0.573,488 26.34,489 0.85,490 6.797,491 0.219,492 8.267,493 0.267,494 0.065,496 0.359,499 1,501 0.544,502 1.129,503 0.766,504 1.061,505 0.465,506 0.971,507 0.638,508 1.028,509 0.886,510 1.02,511 0.487,512 0.99,513 0.919,514 1.01,515 1.027,516 1.06,517 0.839,518 1.058,519 0.908,520 0.868,521 1.029,522 0.994,523 0.906,524 1.024,525 0.56,526 0.835,527 0.865,528 1.015,529 0.579,530 0.997,531 1.05,532 0.811,533 1.06,534 0.975,535 1.249,536 1.019,537 0.809,538 0.92,539 1.025,540 1.048,541 0.923,542 1.077,543 0.849,544 1.04,545 0.953,546 0.994,547 0.799,548 0.99,549 6.5,550 0.193,551 3.556,552 1.625,553 1.968,554 0.757,555 0.574,556 0.463,557 0.238,558 0.169,559 15992,560 40302,561 2.16,562 46.6,563 5,564 13,565 1,568 4,569 4,572 1.728,573 2.044,574 3.78,575 -0.831,582 85.17,583 1.468,584 3.446,585 4.674,586 5.203,587 5.203,588 5.203,589 3.245,590 4.503,591 4.926,592 3.968,593 1845.35,594 8.556,595 27720.5,600 339.763,601 1.332,602 4.896,603 0.186,604 0.008,605 0.071,606 0.032,607 0.047,608 0.021,609 0.017,610 0.016,611 0.008,612 0.006,613 0.414,614 0.33,615 0.88,616 0.486,617 165.022,618 0.003,619 -0.092,620 0.06,621 -0.01,622 0.008,623 0.024,624 0.017,625 -0.024,627 -0.02,628 0.043,629 -0.013,630 -0.071,631 -0.05,632 -0.081,633 -0.072,634 -0.011,635 -0.075,636 -0.072,637 -0.001,638 -0.06,639 -0.02,640 -0.051,641 -0.033,642 0.046,643 -0.057,644 0.085,645 -0.036,646 0.038,647 0.02,648 -0.008,649 0.063,650 -0.064,651 -0.001,652 -0.103,653 -0.038,654 -0.003,655 -0.081,656 -0.06,657 -0.065,658 -0.061,659 -0.076,660 0.079,661 -0.008,662 0.044,663 0.001,664 0.091,665 0.017,666 1.86,667 5.907,668 0.774,669 35.197,670 0.998,671 1.123,672 4.014,673 16.112,674 0.668,675 3.584,676 3.932,677 4.22,678 4.5,679 4.779,680 4.852,681 5.011,682 5.159,683 5.17,684 5.22,685 8.282,686 0.633,687 418.55,688 3.584,689 5.142,690 6.004,691 6.891,692 7.77,693 8.661,694 9.55,695 10.445,696 11.339,697 12.238,698 3.4,701 1,706 1,714 2,715 8,720 4,721 1,722 16,727 1,740 1,741 58,743 18,744 2,745 35,747 62,748 26,749 14,750 6,751 6,752 2,756 5,757 9,767 4,768 1,770 6,772 16,773 10,774 1,777 2,782 2,786 2,791 1,793 27,794 4,796 5,802 2,808 0.6,809 2,824 1,828 1,829 4,832 2,833 1,834 1,855 1,859 3,866 1,868 31,876 9,880 1,881 1,892 1,893 3.4,896 2,901 15.167,902 10.376,903 6.639,904 3.857,907 2.992,908 1.36,909 1.018,910 5.562,911 11.314,912 3.829,913 4.428,914 5.021,915 5.616,916 6.168,917 6.494,918 6.899,919 7.268,920 7.336,921 7.498,922 0.9,923 50,924 11.6,926 5.138,927 0.026,929 7.763,931 22.592,933 19.734,936 2.263,937 70.167,941 317.82,942 130.138,943 5.023,945 50.29,946 14.96,948 130.138,949 368.11,950 19.984,952 21.524,953 75.381,954 60.128,955 26.274,956 28.875,957 306.049,959 317.82,960 135.162,961 65.25,964 285.695,965 97.374,968 26.548,969 108.614,972 332.78,973 55.313,974 130.138,977 317.82,978 54.757,979 80.405,981 65.25,982 317.82,983 70.273,984 130.138,986 0.591,987 0.344,988 0.181,989 0.106,990 26,991 11,992 0.097,993 6,994 3,995 1.208,996 4.415,997 280.401,998 0.25,999 23,1000 145.58,1005 20.301,1006 8.493,1007 4.259,1008 1.962,1009 68.374,1010 14.459,1015 2.842,1016 1.724,1018 518.232,1019 45,1024 24.952,1028 0.337,1031 57.858,1032 65.153,1034 0.251,1035 0.588,1036 0.798,1037 0.888,1038 0.888,1039 0.888,1040 5.088,1041 1.895,1042 5.994,1043 6.22,1044 4.615,1045 5.115,1046 2.442,1047 6.808,1048 4.58,1049 6.288,1050 1.478,1051 7.553,1052 5.383,1053 4.205,1054 4.977,1055 1.668,1056 7.698,1057 4.144,1058 7.598,1059 1.232,1060 9.208,1061 4.144,1062 6.217,1063 7.317,1064 3.165,1065 10.804,1066 6.145,1067 8.941,1068 1,1069 10.92,1070 3.365,1071 6.608,1072 8.039,1073 3.005,1074 12.558,1075 6.512,1076 10.319,1077 1,1078 12.669,1079 2.288,1080 8.09,1081 9.874,1082 4.135,1083 15.203,1084 7.981,1085 11.721,1086 0.911,1087 14.448,1088 2.275,1089 8.866,1090 11.014,1091 4.336,1092 17.355,1093 8.732,1094 13.144,1095 0.576,1096 16.249,1097 2.275,1098 10.138,1099 12.657,1100 5.244,1101 19.857,1102 9.988,1103 3.28,1104 0.224,1105 18.068,1106 1.351,1107 11.11,1108 14.006,1109 5.649,1110 22.185,1111 10.933,1112 2.77,1113 11.635,1114 19.904,1115 0.543,1116 12.302,1117 15.575,1118 6.429,1119 24.646,1120 12.105,1121 2.722,1122 8.715,1123 21.754,1124 4.657,1125 13.372,1126 17.023,1127 6.945,1128 27.048,1129 13.149,1130 2.533,1131 7.82,1132 23.616,1133 3.62,1134 14.539,1135 18.566,1136 7.656,1137 29.5,1138 14.293,1139 2.292,1140 7.236,1141 25.488,1142 3.543,1143 15.661,1144 20.061,1145 8.229,1146 31.932,1147 15.388,1148 2.208,1149 6.983,1150 27.37,1151 2.984,1152 16.824,1153 21.596,1154 8.903,1155 34.382,1156 16.526,1157 2.119,1158 6.367,1159 29.259,1160 2.828,1161 17.972,1162 23.113,1163 9.506,1164 36.826,1165 17.647,1166 14610,1167 23328,1168 23.868,1169 38.756,1170 53.39,1171 55.463,1172 53.91,1173 52.94,1174 52.82,1175 67.13,1176 8.504,1177 154.007,1178 51.893,1179 5.706,1180 5.75,1181 6.331,1182 5.294,1183 5.28,1184 7.657,1185 3.272,1186 18.835,1187 5.203,1188 13.191,1189 1.525,1190 1.585,1191 1.54,1192 1.513,1193 1.509,1194 1.918,1195 0.243,1196 4.4,1197 1.483,1198 4.182,1199 4.21,1200 4.148,1201 4.095,1202 8.201,1203 4.104,1204 3.962,1205 4.008,1206 3.887,1207 3.869,1208 7.429,1209 3.867,1210 3.839,1211 3.881,1212 3.735,1213 3.733,1214 7.425,1215 3.725,1216 3.641,1217 3.674,1218 3.573,1219 3.486,1220 4.882,1221 3.501,1222 3.475,1223 3.525,1224 3.358,1225 3.359,1226 4.647,1227 3.349,1228 3.37,1229 3.43,1230 3.254,1231 3.211,1232 4.305,1233 3.214,1234 3.177,1235 3.232,1236 3.076,1237 3.006,1238 4.173,1239 3.01,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.924,1245 2.91,1246 0.134,1247 0.107,1248 0.198,1249 0.122,1250 0.094,1251 4.706,1252 0.133,1253 3.75,1254 0.054,1255 6.917,1256 0.332,1257 4.255,1258 0.092,1259 3.28,1260 4.657,1261 1.886,1262 11.635,1263 3.203,1264 2.012,1265 1.992,1266 2.112,1267 2.108,1268 1.485,1269 2.107,1270 1.928,1271 1.892,1272 2.074,1273 2.063,1274 1.337,1275 2.071,1276 1.835,1277 1.79,1278 1.99,1279 1.955,1280 1.162,1281 1.968,1282 1.662,1283 1.624,1284 1.815,1285 1.83,1286 1.038,1287 1.824,1288 1.488,1289 1.438,1290 1.708,1291 1.668,1292 0.933,1293 1.684,1294 1.247,1295 1.189,1296 1.513,1297 1.443,1298 0.825,1299 1.46,1300 1.16,1301 1.094,1302 1.48,1303 1.376,1304 0.669,1305 1.429,1306 1.153,1307 1.064,1308 1.416,1309 1.376,1310 0.593,1311 1.392,1312 4.263,1314 5.602,1315 2.398,1316 7.133,1317 4.727,1318 8.754,1319 6.88,1320 10.425,1324 13.072,1328 7.827,1332 0.578,1333 2.413,1340 36.704,1341 85.17,1342 199.891,1343 271.092,1344 301.763,1345 301.763,1346 301.763,1347 59.478,1348 8.322,1349 42.31,1350 42.31,1351 29,1352 12.762,1353 4.248,1354 3.459,1355 44.139,1356 157,1357 161,1358 0.135,1359 219.637,1360 385.75,1361 527.674,1362 57196,1363 1.7,1364 21.372,1365 0.689,1366 0.569,1367 20.501,1368 17.649,1369 15.064,1370 0.43,1371 0.321,1372 11.13,1373 14.615,1374 10.916,1375 8.935,1376 14.67,1377 11.238,1378 13.928,1379 0.279,1380 0.179,1381 13.306,1382 8.961,1383 11.992,1384 0.179,1385 0.103,1386 11.581,1387 6.868,1388 9.838,1389 0.111,1390 0.057,1391 9.696,1392 5.051,1393 8.59,1394 0.073,1395 0.033,1396 8.299,1397 3.846,1398 0.221,1399 93.553,1400 0.205,1401 29.861,1402 0.347,1403 170,1404 484.872,1405 182.978,1406 445.166,1407 600.36,1408 416,1409 202,1410 432.592,1411 214.892,1412 433.442,1413 637.23,1414 410,1415 8.34}
{0 CHEMBL1651249,1 1.415,2 14.645,3 4.823,4 23.261,5 121.586,6 7.06,7 0.457,8 4.169,9 4.283,10 3.698,11 3.751,12 5.191,13 3.713,14 4.754,15 4.926,16 4.082,17 4.198,18 5.718,19 4.133,20 5.085,21 5.298,22 4.134,23 4.368,24 6.049,25 4.263,26 5.163,27 5.411,28 3.997,29 4.335,30 6.061,31 4.195,32 5.058,33 5.327,34 3.852,35 4.204,36 5.904,37 4.048,38 4.933,39 5.172,40 3.782,41 4.083,42 5.916,43 3.95,44 4.86,45 5.112,46 3.652,47 4.021,48 5.739,49 3.868,50 4.793,51 5.051,52 3.614,53 3.95,54 5.727,55 3.799,56 0.037,57 0.816,58 12.748,59 5.832,60 7.881,61 7.685,62 0.172,63 1.43,64 24.416,65 10.073,66 17.933,67 13.813,68 0.278,69 1.849,70 35.998,71 14.193,72 50.864,73 19.417,74 0.375,75 1.916,76 40.427,77 15.383,78 61.505,79 21.353,80 0.245,81 1.711,82 36.508,83 14.31,84 44.963,85 20.256,86 0.439,87 1.478,88 32.442,89 12.175,90 65.338,91 16.573,92 0.32,93 1.396,94 29.949,95 11.548,96 49.06,97 16.037,98 0.319,99 1.305,100 28.024,101 10.868,102 63.727,103 15.249,104 10,105 50,106 0.229,107 0.567,108 0.762,109 0.846,110 0.846,111 0.846,112 3.471,113 0.966,114 -4.36,115 -4.29,116 -4.05,121 44.1,123 6,124 1,127 3,144 7,145 4,146 1,153 1,154 1,159 1,160 1,176 15,179 1,180 10,185 2,187 16,192 10,197 2,200 14,206 10,211 1,214 13,219 7,227 14,231 1,232 3,235 1,239 16,243 1,244 2,251 12,255 1,256 4,261 2,264 9,269 6,274 1,277 5,281 1613,282 21.118,283 21.118,284 21.118,285 21.118,286 21.118,287 19.037,288 24.599,289 12.257,290 21.309,291 17.276,292 17.276,293 17.276,294 17.276,295 17.276,296 13.925,297 26.682,298 5.873,299 17.577,300 4.467,301 2.371,302 1.164,303 0.644,304 0.644,305 0.644,306 4.183,311 1,312 1,313 1019,314 3.317,317 65.565,318 375.963,321 240.406,322 136.091,323 150.798,325 2.26,326 29.706,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 66,338 454,339 4.706,340 3.75,341 6.917,342 4.255,343 3.28,344 4.657,345 1.886,346 11.635,347 3.203,348 4.088,349 3.603,350 6.06,351 3.772,352 2.77,353 3.62,354 1.277,355 8.715,356 2.783,357 4.032,358 3.041,359 5.656,360 3.698,361 2.722,362 3.543,363 0.916,364 7.82,365 2.648,366 3.685,367 3.027,368 5.626,369 3.519,370 2.533,371 2.984,372 0.172,373 7.236,374 2.498,375 3.637,376 2.686,377 5.356,378 3.297,379 2.292,380 2.828,382 6.983,383 2.301,384 3.486,385 2.421,386 5.235,387 3.177,388 2.208,389 2.785,391 6.367,392 2.122,393 3.411,394 2.319,395 5.079,396 3.114,397 2.119,398 2.555,400 6.22,401 2.1,402 3.072,403 2.139,404 4.784,405 2.852,406 1.895,407 2.126,409 5.383,410 1.805,411 2.906,412 1.967,413 4.453,414 2.487,415 1.478,416 1.964,418 4.144,419 1.484,420 2.604,421 1.488,422 4.089,423 2.222,424 1.232,425 1.596,427 3.365,428 1.215,429 2.5,430 1.145,431 3.645,432 2,433 1,434 1.5,436 2.288,437 1,438 2.333,439 1.096,440 3.414,441 1.984,442 1,443 1.269,445 2.275,446 0.983,447 2,448 1.077,449 3.414,450 1.898,451 0.911,452 1,454 2.275,455 0.897,456 1.766,457 1,458 3.144,459 1.597,460 0.576,461 0.646,463 1.351,464 0.584,465 1.647,466 0.812,467 2.934,468 1.24,469 0.224,470 0.284,472 0.543,473 0.223,474 14.8,475 0.477,476 0.78,477 0.025,478 37.25,479 1.202,480 17.5,481 0.565,482 19.75,483 0.637,484 29.072,485 0.938,486 33.2,487 0.563,488 26.574,489 0.857,490 6.834,491 0.22,492 8.23,493 0.265,494 0.068,496 0.358,501 0.707,502 1.236,503 0.821,504 1.047,505 0.594,506 0.964,507 0.673,508 1.118,509 0.912,510 1.03,511 0.495,512 0.995,513 0.956,514 1.092,515 1.042,516 1.079,517 0.868,518 1.07,519 0.98,520 0.979,521 1.037,522 1.006,523 0.989,524 1.025,525 0.639,526 0.984,527 0.883,528 1.02,529 0.671,530 0.989,531 1.156,532 0.946,533 1.074,534 0.997,535 1.399,536 1.028,537 0.901,538 0.975,539 1.043,540 1.03,541 1.027,542 1.055,543 0.699,544 0.988,545 0.94,546 1.013,547 0.62,548 1.012,549 6.5,550 0.193,551 3.556,552 1.625,553 1.968,554 0.757,555 0.574,556 0.463,557 0.238,558 0.169,559 15992,560 38100,561 2.16,562 47.5,563 5,564 13,565 1,567 1,568 4,569 4,572 1.728,573 2.044,574 3.78,575 -0.425,582 83.504,583 1.415,584 3.512,585 4.719,586 5.239,587 5.239,588 5.239,589 3.245,590 4.503,591 4.926,592 3.968,593 1845.35,594 8.556,595 27720.5,597 1,600 347.076,601 1.332,602 4.896,603 0.186,604 0.008,605 0.071,606 0.032,607 0.047,608 0.021,609 0.017,610 0.016,611 0.008,612 0.006,613 0.414,614 0.17,615 0.88,616 0.486,617 165.022,618 -0.027,619 -0.088,620 0.053,621 0.018,622 -0.018,623 0.038,624 0.024,625 0.003,627 -0.015,628 0.044,629 -0.01,630 -0.076,631 -0.07,632 -0.087,633 -0.082,634 -0.011,635 -0.084,636 -0.077,637 -0.011,638 -0.057,639 -0.024,640 -0.055,641 -0.035,642 0.05,643 -0.044,644 0.084,645 -0.029,646 0.042,647 0.024,648 -0.016,649 0.002,650 -0.071,651 -0.017,652 -0.116,653 -0.05,654 -0.012,655 -0.025,656 -0.064,657 -0.043,658 -0.073,659 -0.059,660 0.116,661 -0.045,662 0.035,663 -0.023,664 0.138,665 -0.007,666 1.529,667 5.917,668 0.774,669 35.197,670 0.994,671 1.119,672 3.125,673 9.767,674 0.666,675 3.584,676 3.932,677 4.22,678 4.5,679 4.779,680 4.852,681 5.011,682 5.159,683 5.17,684 5.22,685 8.282,686 0.628,687 416.56,688 3.584,689 5.142,690 6.004,691 6.891,692 7.77,693 8.661,694 9.55,695 10.445,696 11.339,697 12.238,698 3.4,701 1,706 1,714 2,715 8,720 4,721 1,722 16,727 1,738 1,741 59,743 18,744 2,745 35,747 63,748 26,749 14,750 6,751 6,752 2,756 5,757 9,767 4,768 1,770 6,772 16,773 10,774 1,777 2,782 2,786 2,793 28,794 4,795 1,796 5,802 2,808 0.6,809 3,824 1,828 1,829 4,832 2,833 1,834 1,855 1,859 3,868 31,875 1,876 9,880 1,881 1,893 5.1,895 1,896 2,901 15.167,902 10.433,903 6.639,904 3.871,907 2.992,908 1.36,909 0.996,910 5.579,911 11.314,912 3.829,913 4.428,914 5.021,915 5.616,916 6.168,917 6.494,918 6.899,919 7.268,920 7.336,921 7.498,922 0.9,923 50,924 11.577,926 5.105,927 0.026,929 7.699,931 22.647,933 19.777,936 2.199,937 68.167,940 1,941 317.82,942 121.017,943 5.023,945 92.973,948 121.017,949 410.793,950 5.023,952 21.524,953 75.381,954 102.811,955 17.153,956 13.915,957 306.049,959 317.82,960 126.041,961 92.973,964 270.735,965 140.058,968 26.548,969 99.493,972 317.82,973 97.997,974 121.017,977 317.82,978 45.636,979 80.405,981 92.973,982 317.82,983 97.997,984 121.017,986 0.591,987 0.344,988 0.181,989 0.106,990 26,991 11,992 0.095,993 6,994 3,995 1.208,996 4.415,997 280.401,998 0.25,999 23,1000 145.58,1005 20.326,1006 8.509,1007 4.268,1008 1.977,1009 96.098,1010 15.184,1015 3.44,1016 1.731,1017 42.683,1018 536.834,1019 45,1024 24.968,1028 0.354,1031 58.672,1032 66.022,1034 0.241,1035 0.597,1036 0.802,1037 0.891,1038 0.891,1039 0.891,1040 5.088,1041 1.895,1042 5.994,1043 6.22,1044 4.615,1045 5.115,1046 2.442,1047 6.808,1048 4.584,1049 6.288,1050 1.478,1051 7.553,1052 5.383,1053 4.205,1054 4.977,1055 1.668,1056 7.698,1057 4.153,1058 7.598,1059 1.232,1060 9.208,1061 4.144,1062 6.217,1063 7.317,1064 3.165,1065 10.804,1066 6.151,1067 8.941,1068 1,1069 10.92,1070 3.365,1071 6.608,1072 8.039,1073 3.005,1074 12.558,1075 6.521,1076 10.319,1077 1,1078 12.669,1079 2.288,1080 8.09,1081 9.874,1082 4.135,1083 15.203,1084 7.988,1085 11.721,1086 0.911,1087 14.448,1088 2.275,1089 8.866,1090 11.014,1091 4.336,1092 17.355,1093 8.74,1094 13.144,1095 0.576,1096 16.249,1097 2.275,1098 10.138,1099 12.657,1100 5.244,1101 19.857,1102 9.994,1103 3.28,1104 0.224,1105 18.068,1106 1.351,1107 11.11,1108 14.006,1109 5.649,1110 22.185,1111 10.939,1112 2.77,1113 11.635,1114 19.904,1115 0.543,1116 12.302,1117 15.575,1118 6.429,1119 24.646,1120 12.11,1121 2.722,1122 8.715,1123 21.754,1124 4.657,1125 13.372,1126 17.023,1127 6.945,1128 27.048,1129 13.154,1130 2.533,1131 7.82,1132 23.616,1133 3.62,1134 14.539,1135 18.566,1136 7.656,1137 29.5,1138 14.297,1139 2.292,1140 7.236,1141 25.488,1142 3.543,1143 15.661,1144 20.061,1145 8.229,1146 31.932,1147 15.391,1148 2.208,1149 6.983,1150 27.37,1151 2.984,1152 16.824,1153 21.596,1154 8.903,1155 34.382,1156 16.529,1157 2.119,1158 6.367,1159 29.259,1160 2.828,1161 17.972,1162 23.113,1163 9.506,1164 36.826,1165 17.65,1166 14610,1167 22684,1168 23.868,1169 39.273,1170 53.39,1171 55.233,1172 53.91,1173 52.913,1174 52.82,1175 67.13,1176 8.504,1177 154.007,1178 52.027,1179 5.706,1180 5.75,1181 6.331,1182 5.294,1183 5.28,1184 7.657,1185 3.272,1186 18.835,1187 5.203,1188 13.191,1189 1.525,1190 1.578,1191 1.54,1192 1.512,1193 1.509,1194 1.918,1195 0.243,1196 4.4,1197 1.486,1198 4.182,1199 4.21,1200 4.148,1201 4.095,1202 7.429,1203 4.104,1204 3.96,1205 4.005,1206 3.88,1207 3.868,1208 7.425,1209 3.866,1210 3.836,1211 3.876,1212 3.732,1213 3.733,1214 6.471,1215 3.724,1216 3.641,1217 3.673,1218 3.573,1219 3.486,1220 4.882,1221 3.501,1222 3.475,1223 3.525,1224 3.358,1225 3.359,1226 4.632,1227 3.349,1228 3.37,1229 3.429,1230 3.252,1231 3.212,1232 4.304,1233 3.214,1234 3.181,1235 3.231,1236 3.071,1237 3.009,1238 4.173,1239 3.013,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.924,1245 2.91,1246 0.134,1247 0.107,1248 0.198,1249 0.122,1250 0.094,1251 4.706,1252 0.133,1253 3.75,1254 0.054,1255 6.917,1256 0.332,1257 4.255,1258 0.092,1259 3.28,1260 4.657,1261 1.886,1262 11.635,1263 3.203,1264 2.012,1265 1.992,1266 2.112,1267 2.108,1268 1.485,1269 2.107,1270 1.928,1271 1.894,1272 2.074,1273 2.062,1274 1.337,1275 2.071,1276 1.835,1277 1.791,1278 1.993,1279 1.954,1280 1.163,1281 1.968,1282 1.662,1283 1.624,1284 1.816,1285 1.83,1286 1.039,1287 1.824,1288 1.488,1289 1.439,1290 1.709,1291 1.669,1292 0.933,1293 1.684,1294 1.248,1295 1.192,1296 1.513,1297 1.446,1298 0.825,1299 1.462,1300 1.163,1301 1.099,1302 1.481,1303 1.381,1304 0.671,1305 1.429,1306 1.153,1307 1.064,1308 1.421,1309 1.376,1310 0.593,1311 1.397,1312 4.263,1314 5.602,1315 2.398,1316 7.133,1317 4.727,1318 8.754,1319 6.88,1320 10.425,1327 9.424,1328 8.038,1332 0.598,1333 2.454,1340 37.036,1341 83.504,1342 207.204,1343 278.405,1344 309.076,1345 309.076,1346 309.076,1347 56.853,1348 8.322,1349 62.54,1350 62.54,1351 29,1352 12.762,1353 4.248,1354 3.459,1355 44.139,1356 157,1357 161,1358 0.135,1359 222.435,1360 388.47,1361 534.502,1362 57196,1364 21.372,1365 0.689,1366 0.572,1367 21.372,1368 17.718,1369 15.064,1370 0.43,1371 0.322,1372 11.175,1373 14.662,1374 10.949,1375 8.975,1376 15.064,1377 11.273,1378 13.928,1379 0.279,1380 0.18,1381 13.928,1382 9.001,1383 11.992,1384 0.179,1385 0.103,1386 11.992,1387 6.891,1388 9.838,1389 0.111,1390 0.057,1391 9.838,1392 5.063,1393 8.59,1394 0.073,1395 0.033,1396 8.59,1397 3.86,1398 0.221,1399 93.264,1400 0.205,1401 29.861,1402 0.347,1403 170,1404 430.911,1405 181.251,1406 419.42,1407 572.68,1408 392,1409 202,1410 418.289,1411 213.643,1412 425.106,1413 624.07,1414 402,1415 9.31}
{0 CHEMBL1651250,1 1.518,2 15.485,3 4.985,4 24.848,5 127.217,6 7.426,7 0.432,8 4.194,9 4.307,10 3.766,11 3.764,12 5.273,13 3.736,14 4.781,15 4.947,16 4.147,17 4.214,18 5.883,19 4.161,20 5.102,21 5.312,22 4.208,23 4.387,24 6.113,25 4.297,26 5.197,27 5.436,28 4.092,29 4.358,30 6.199,31 4.239,32 5.088,33 5.348,34 3.911,35 4.22,36 6.012,37 4.079,38 4.942,39 5.181,40 3.834,41 4.096,42 5.926,43 3.973,44 4.898,45 5.14,46 3.73,47 4.04,48 5.86,49 3.901,50 4.813,51 5.07,52 3.735,53 3.981,54 5.763,55 3.852,56 0.114,57 0.863,58 12.085,59 5.725,60 10.098,61 7.46,62 0.28,63 1.48,64 23.942,65 10.044,66 48.932,67 13.497,68 0.296,69 1.902,70 35.62,71 14.075,72 57.402,73 19.146,74 0.492,75 1.96,76 41.826,77 15.408,78 91.653,79 21.065,80 0.367,81 1.729,82 38.077,83 14.388,84 72.004,85 20.136,86 0.439,87 1.503,88 32.484,89 12.124,90 74.803,91 16.517,92 0.524,93 1.433,94 31.337,95 11.525,96 76.796,97 15.893,98 0.315,99 1.362,100 28.371,101 10.659,102 65.414,103 15.237,104 18,105 53,106 0.243,107 0.567,108 0.757,109 0.839,110 0.839,111 0.839,112 3.531,113 0.944,114 -4.92,115 -4.83,116 -4.53,121 43.3,123 6,124 1,127 3,144 7,145 4,146 1,153 1,154 1,159 1,160 1,168 2,176 15,179 2,180 12,187 16,192 16,200 14,206 15,214 13,219 9,227 14,231 2,232 3,239 16,243 3,244 2,251 12,255 1,256 6,264 9,269 11,277 5,281 1940,282 22.325,283 22.325,284 22.325,285 22.325,286 22.325,287 19.992,288 27.396,289 12.892,290 22.532,291 18.244,292 18.244,293 18.244,294 18.244,295 18.244,296 14.495,297 30.663,298 6.131,299 18.544,300 4.389,301 2.365,302 1.178,303 0.667,304 0.667,305 0.667,306 4.24,311 1,312 1,313 1136,314 3.742,317 72.926,318 411.993,321 266.976,322 150.992,323 167.199,325 2.441,326 37.96,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 71.5,338 511,339 4.706,340 3.778,341 6.917,342 4.255,343 3.28,344 4.657,345 2.612,346 11.635,347 3.203,348 4.257,349 3.75,350 6.06,351 3.789,352 2.813,353 3.952,354 1.886,355 8.715,356 2.783,357 4.088,358 3.603,359 5.932,360 3.763,361 2.756,362 3.543,363 1.277,364 8.265,365 2.734,366 3.839,367 3.041,368 5.655,369 3.614,370 2.65,371 3.254,372 0.916,373 7.688,374 2.562,375 3.674,376 3.017,377 5.597,378 3.376,379 2.388,380 2.984,381 0.172,382 7.227,383 2.353,384 3.568,385 2.567,386 5.315,387 3.281,388 2.266,389 2.827,391 6.871,392 2.289,393 3.482,394 2.319,395 5.235,396 3.116,397 2.121,398 2.618,400 6.367,401 2.11,402 3.157,403 2.251,404 4.937,405 2.96,406 2.003,407 2.219,409 5.787,410 1.907,411 2.927,412 1.968,413 4.454,414 2.49,415 1.479,416 2.011,418 4.144,419 1.487,420 2.865,421 1.892,422 4.089,423 2.25,424 1.257,425 1.916,427 3.367,428 1.247,429 2.603,430 1.488,431 3.779,432 2.213,433 1.22,434 1.596,436 2.934,437 1.208,438 2.5,439 1.145,440 3.645,441 2,442 1,443 1.5,445 2.288,446 1,447 2.333,448 1.093,449 3.414,450 1.984,451 1,452 1.269,454 2.275,455 0.983,456 2,457 1.077,458 3.414,459 1.898,460 0.911,461 1,463 2.275,464 0.897,465 1.76,466 1,467 3.135,468 1.589,469 0.564,470 0.636,472 1.324,473 0.574,474 15.533,475 0.471,476 0.87,477 0.026,478 41.25,479 1.25,480 20,481 0.606,482 21.25,483 0.644,484 30.182,485 0.915,486 35.467,487 0.591,488 30.838,489 0.934,490 7.62,491 0.231,492 8.355,493 0.253,494 0.086,496 0.367,501 0.418,502 1.221,503 0.738,504 1.047,505 0.442,506 0.966,507 0.546,508 1.117,509 0.861,510 1.032,511 0.398,512 0.996,513 0.768,514 1.099,515 0.978,516 1.099,517 0.641,518 1.074,519 0.962,520 0.967,521 1.037,522 1.019,523 0.919,524 1.038,525 0.716,526 0.964,527 0.915,528 1.028,529 0.727,530 1.013,531 0.905,532 0.931,533 1.02,534 1.025,535 0.99,536 1.046,537 0.862,538 0.957,539 1.071,540 1.018,541 0.986,542 1.082,543 0.489,544 1.014,545 0.855,546 1.035,547 0.409,548 1.008,549 7,550 0.234,551 4,552 1.875,553 2.048,554 0.938,555 0.574,556 0.525,557 0.287,558 0.189,559 19058,560 52632,561 2.131,562 45,563 5,564 13,565 1,568 4,569 4,572 1.743,573 2,574 3.856,575 -0.781,582 91.065,583 1.518,584 3.542,585 4.729,586 5.24,587 5.24,588 5.24,589 3.366,590 4.62,591 5.016,592 4.075,593 2151.69,594 8.732,595 34404.9,597 1,600 354.413,601 1.393,602 4.979,603 0.189,604 0.009,605 0.075,606 0.035,607 0.045,608 0.025,609 0.016,610 0.017,611 0.009,612 0.006,613 0.426,614 0.17,615 0.88,616 0.675,617 180.058,618 0.159,619 -0.042,620 0.07,621 0.018,622 0.033,623 0.018,624 0.105,626 0.01,627 -0.006,628 0.14,629 -0.011,630 -0.044,631 -0.076,632 -0.052,633 -0.089,634 0.028,635 -0.072,636 -0.084,637 -0.012,638 -0.056,639 -0.027,640 -0.039,641 -0.033,642 0.015,643 -0.047,644 0.066,645 -0.023,646 0.004,647 0.022,648 -0.012,649 0.011,650 -0.035,651 -0.029,652 -0.074,653 -0.038,654 0.027,655 -0.018,656 -0.084,657 -0.026,658 -0.08,659 -0.074,660 0.144,661 -0.054,662 0.108,663 -0.039,664 0.149,665 0.021,666 2.374,667 5.937,668 0.727,669 40.011,670 1.004,671 1.122,672 3.692,673 13.632,674 0.666,675 3.638,676 3.989,677 4.277,678 4.543,679 4.812,680 4.913,681 5.063,682 5.204,683 5.215,684 5.263,685 8.896,686 0.637,687 445.56,688 3.638,689 5.198,690 6.061,691 6.948,692 7.828,693 8.718,694 9.606,695 10.5,696 11.393,697 12.291,698 5,701 1,706 1,709 1,714 2,715 8,720 4,721 1,722 16,727 1,735 1,741 60,743 20,744 2,745 37,747 64,748 26,749 14,750 6,751 6,752 2,756 5,757 9,767 4,768 1,770 6,772 16,773 10,774 1,777 4,779 1,782 4,786 2,793 27,794 5,796 7,802 3,808 0.6,809 4,824 1,828 1,829 4,832 2,833 1,834 1,855 1,859 3,868 33,876 9,880 1,881 1,893 6.7,896 2,899 2,901 16.5,902 10.767,903 7.083,904 3.937,907 3.208,908 1.378,909 1.001,910 6.032,911 11.689,912 3.912,913 4.519,914 5.098,915 5.68,916 6.223,917 6.592,918 6.984,919 7.305,920 7.371,921 7.528,922 1,923 54,924 12.308,926 5.448,927 0.026,929 7.869,931 23.701,933 20.543,936 2.369,937 78.167,940 1,941 317.82,942 123.774,943 10.693,945 101.037,948 123.774,949 418.857,950 10.693,951 5.67,952 21.524,953 75.381,954 60.128,955 19.91,956 13.915,957 306.049,958 50.747,959 317.82,960 134.468,961 101.037,964 270.735,965 97.374,966 50.747,968 26.548,969 102.25,970 5.67,972 317.82,973 111.73,974 123.774,977 317.82,978 48.393,979 86.075,981 101.037,982 317.82,983 111.73,984 123.774,986 0.592,987 0.346,988 0.179,989 0.101,990 27,991 12,992 0.109,993 7,994 3,995 1.208,996 4.565,997 302.745,998 0.25,999 23,1000 154.465,1005 21.85,1006 9.11,1007 4.581,1008 1.937,1009 104.161,1010 14.448,1015 3.07,1016 1.715,1018 553.324,1019 49,1021 -0.374,1024 46.601,1028 0.308,1031 60.218,1032 67.315,1034 0.257,1035 0.6,1036 0.801,1037 0.887,1038 0.887,1039 0.887,1040 5.17,1041 2.003,1042 6.057,1043 6.367,1044 4.673,1045 5.207,1046 3.122,1047 6.876,1048 4.643,1049 6.38,1050 1.479,1051 7.623,1052 5.787,1053 4.29,1054 5.13,1055 2.701,1056 7.786,1057 4.243,1058 7.698,1059 1.257,1060 9.285,1061 4.144,1062 6.282,1063 7.428,1064 4.459,1065 10.88,1066 6.216,1067 9.049,1068 1.22,1069 11.004,1070 3.367,1071 6.698,1072 8.197,1073 4.698,1074 12.636,1075 6.611,1076 10.434,1077 1,1078 12.759,1079 2.934,1080 8.167,1081 9.998,1082 6.097,1083 15.268,1084 8.06,1085 11.842,1086 1,1087 14.541,1088 2.288,1089 8.955,1090 11.159,1091 6.658,1092 17.409,1093 8.824,1094 13.269,1095 0.911,1096 16.343,1097 2.275,1098 10.217,1099 12.778,1100 7.869,1101 19.9,1102 10.068,1103 3.28,1104 0.564,1105 18.162,1106 2.275,1107 11.191,1108 14.13,1109 8.602,1110 22.218,1111 11.015,1112 2.813,1113 11.635,1114 19.996,1115 1.324,1116 12.376,1117 15.682,1118 9.708,1119 24.671,1120 12.178,1121 2.756,1122 8.715,1123 21.842,1124 4.657,1125 13.444,1126 17.124,1127 10.537,1128 27.066,1129 13.219,1130 2.65,1131 8.265,1132 23.699,1133 3.952,1134 14.604,1135 18.654,1136 11.583,1137 29.513,1138 14.356,1139 2.388,1140 7.688,1141 25.566,1142 3.543,1143 15.72,1144 20.141,1145 12.467,1146 31.941,1147 15.446,1148 2.266,1149 7.227,1150 27.442,1151 3.254,1152 16.877,1153 21.666,1154 13.478,1155 34.389,1156 16.578,1157 2.121,1158 6.871,1159 29.325,1160 2.984,1161 18.02,1162 23.175,1163 14.394,1164 36.831,1165 17.694,1166 17564,1167 29366,1168 24.967,1169 39.972,1170 56.436,1171 59.42,1172 57.34,1173 56.062,1174 55.999,1175 72.719,1176 13.729,1177 163.767,1178 55.264,1179 5.706,1180 5.778,1181 6.331,1182 5.294,1183 5.28,1184 7.657,1185 4.612,1186 18.835,1187 5.203,1188 16.116,1189 1.525,1190 1.606,1191 1.55,1192 1.515,1193 1.513,1194 1.965,1195 0.371,1196 4.426,1197 1.494,1198 4.182,1199 4.211,1200 4.149,1201 4.095,1202 7.815,1203 4.104,1204 4.007,1205 4.043,1206 3.958,1207 3.89,1208 7.429,1209 3.895,1210 3.87,1211 3.921,1212 3.761,1213 3.739,1214 7.425,1215 3.733,1216 3.653,1217 3.686,1218 3.589,1219 3.488,1220 6.999,1221 3.504,1222 3.525,1223 3.556,1224 3.473,1225 3.359,1226 4.882,1227 3.35,1228 3.468,1229 3.516,1230 3.354,1231 3.238,1232 4.696,1233 3.267,1234 3.336,1235 3.391,1236 3.222,1237 3.102,1238 4.313,1239 3.137,1240 3.111,1241 3.206,1242 2.996,1243 2.941,1244 4.173,1245 2.91,1246 0.127,1247 0.102,1248 0.187,1249 0.115,1250 0.089,1251 4.706,1252 0.126,1253 3.778,1254 0.071,1255 6.917,1256 0.314,1257 4.255,1258 0.087,1259 3.28,1260 4.657,1261 2.612,1262 11.635,1263 3.203,1264 2.012,1265 1.992,1266 2.113,1267 2.112,1268 1.485,1269 2.109,1270 1.948,1271 1.916,1272 2.076,1273 2.098,1274 1.337,1275 2.084,1276 1.848,1277 1.799,1278 2.009,1279 2.017,1280 1.176,1281 2.011,1282 1.663,1283 1.624,1284 1.816,1285 1.837,1286 1.045,1287 1.827,1288 1.496,1289 1.446,1290 1.712,1291 1.723,1292 0.935,1293 1.703,1294 1.305,1295 1.266,1296 1.513,1297 1.622,1298 0.825,1299 1.577,1300 1.207,1301 1.144,1302 1.493,1303 1.425,1304 0.694,1305 1.443,1306 1.153,1307 1.064,1308 1.443,1309 1.376,1310 0.594,1311 1.429,1312 4.317,1314 5.659,1315 2.398,1316 7.192,1317 4.727,1318 8.813,1319 6.88,1320 10.483,1328 7.538,1332 0.544,1333 2.379,1340 38.245,1341 91.065,1342 212.542,1343 283.742,1344 314.413,1345 314.413,1346 314.413,1347 67.898,1348 8.481,1349 88.13,1350 88.13,1351 29,1352 12.816,1353 4.392,1354 3.7,1355 48.425,1356 180,1357 171,1358 0.129,1359 230.298,1360 405.62,1361 553.688,1362 70444,1364 22.949,1365 0.695,1366 0.562,1367 22.949,1368 18.535,1369 15.974,1370 0.432,1371 0.315,1372 11.511,1373 15.395,1374 11.3,1375 9.262,1376 15.974,1377 11.638,1378 14.827,1379 0.28,1380 0.175,1381 14.827,1382 9.258,1383 12.691,1384 0.179,1385 0.1,1386 12.691,1387 7.101,1388 10.364,1389 0.111,1390 0.056,1391 10.364,1392 5.185,1393 8.776,1394 0.072,1395 0.032,1396 8.776,1397 3.921,1398 0.213,1399 100.049,1400 0.2,1401 31.548,1402 0.328,1403 180,1404 521.877,1405 195.324,1406 501.221,1407 671.58,1408 464,1409 214,1410 490.624,1411 229.801,1412 490.942,1413 715.99,1414 462,1415 7.37}
{0 CHEMBL165292,1 1.633,2 6.235,3 2.867,4 8.222,5 66.676,6 8.291,7 0.316,8 3.516,9 3.625,10 3.187,11 3.125,12 4.549,13 3.092,14 4.093,15 4.261,16 3.595,17 3.547,18 5.118,19 3.485,20 4.43,21 4.649,22 3.741,23 3.726,24 5.436,25 3.653,26 4.419,27 4.645,28 3.564,29 3.581,30 5.541,31 3.489,32 4.163,33 4.392,34 3.263,35 3.342,36 5.238,37 3.239,38 3.838,39 4.027,40 3.091,41 3.124,42 4.977,43 2.974,44 3.676,45 3.936,46 2.589,47 2.904,48 4.409,49 2.656,50 3.345,51 3.649,52 2.177,53 2.39,54 4.085,55 2.054,56 0.012,57 0.43,58 5.227,59 2.698,60 2.713,61 3.494,62 0.131,63 0.738,64 11.471,65 4.874,66 10.342,67 6.501,68 0.195,69 0.966,70 20.76,71 6.884,72 22.834,73 9.19,74 0.341,75 0.913,76 20.504,77 6.433,78 43.837,79 8.436,80 0.259,81 0.665,82 15.899,83 5.318,84 37.685,85 6.673,86 0.232,87 0.462,88 11.903,89 4.268,90 34.167,91 5.372,92 0.083,93 0.376,94 12.331,95 4.146,96 12.778,97 5.632,98 0.12,99 0.212,100 13.172,101 3.168,102 14.751,103 4.199,104 5,105 27,106 0.314,107 0.638,108 0.787,109 0.878,110 0.878,111 0.878,112 2.911,113 0.998,114 -4.35,115 -4.29,116 -4.04,121 43.3,123 4,127 1,144 3,145 1,146 2,160 2,176 5,179 2,180 7,187 7,192 6,200 3,205 1,206 10,214 4,219 2,227 5,232 2,239 7,251 3,264 2,281 203,282 11.569,283 11.569,284 11.569,285 11.569,286 11.569,287 10.542,288 14.815,289 6.82,290 11.842,291 9.383,292 9.383,293 9.383,294 9.383,295 9.383,296 7.707,297 18.08,298 3.254,299 9.876,300 3.274,301 1.583,302 0.809,303 0.333,304 0.333,305 0.333,306 3.59,308 1,311 1,312 1,313 231,314 1.732,318 51.99,319 33.771,322 44.29,323 49.93,325 0.983,326 17.439,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 36.333,338 106,339 4.517,340 3.814,341 6.772,342 4.177,343 3.21,344 4.113,345 1.506,346 11.055,347 3.106,348 3.901,349 3.019,350 6.002,351 3.544,352 2.603,353 3.25,354 1.041,355 8.469,356 2.442,357 3.577,358 2.975,359 5.336,360 3.149,361 2.193,362 2.841,363 0.227,364 6.556,365 2.079,366 3.291,367 2.464,368 4.891,369 2.867,370 1.959,371 2.482,373 5.533,374 1.707,375 2.684,376 1.793,377 4.14,378 2.589,379 1.602,380 1.712,382 3.495,383 1.566,384 2.643,385 1.615,386 3.775,387 2.33,388 1.347,389 1.642,391 3.351,392 1.322,393 2.272,394 1.421,395 3.568,396 1.973,397 0.965,398 1.185,400 2.278,401 0.953,402 1.606,403 0.72,404 2.964,405 1.16,406 0.177,407 0.226,409 0.442,410 0.171,411 1.196,412 0.434,413 2.663,414 0.853,415 -0.082,416 -0.094,418 -0.202,419 -0.068,420 0.824,421 0.082,422 2.356,423 0.642,424 -0.35,425 -0.402,427 -0.791,428 -0.314,429 0.718,430 -0.182,431 2.334,432 0.401,433 -0.49,434 -0.557,436 -1.275,437 -0.413,438 0.318,439 -0.664,440 1.894,441 -0.052,442 -1.033,443 -1.393,445 -2.893,446 -0.972,447 0.058,448 -0.749,449 1.796,450 -0.364,451 -1.217,452 -1.535,454 -3.081,455 -1.012,456 -0.157,457 -1.055,458 1.346,459 -0.47,460 -1.417,461 -1.757,463 -3.793,464 -1.415,465 -0.431,466 -1.467,467 1.318,468 -0.782,469 -1.708,470 -1.814,472 -4.422,473 -1.654,474 8.348,475 0.491,476 0.418,477 0.025,478 20.75,479 1.221,480 9.5,481 0.559,482 11.25,483 0.662,484 13.413,485 0.789,486 18.052,487 0.602,488 11.99,489 0.705,490 3.652,491 0.215,492 4.602,493 0.271,494 0.125,496 0.347,501 0.582,502 1.343,503 0.565,504 0.959,505 0.473,506 0.897,507 0.557,508 1.166,509 0.633,510 0.928,511 0.472,512 0.929,513 0.928,514 1.055,515 0.794,516 0.87,517 0.74,518 0.825,519 1.196,520 1.03,521 0.866,522 0.965,523 1.256,524 1.002,525 1.528,526 0.746,527 0.808,528 0.727,529 1.929,530 0.845,531 0.91,532 1.061,533 1.011,534 1.246,535 1.374,536 1.303,537 0.566,538 1.024,539 1.284,540 1.272,541 0.416,542 1.286,543 1.131,544 0.716,545 2.11,546 1.25,547 0.714,548 1.128,549 3,551 2,552 1.5,553 1.249,554 0.493,555 0.19,556 0.077,557 0.031,559 2162,560 6015,561 2.127,562 43.3,563 4,564 5,568 2,569 2,572 1.576,573 2,574 2.693,575 -0.75,577 1,578 1,579 1,582 48.995,583 1.633,584 3.324,585 4.098,586 4.574,587 4.574,588 4.574,589 2.184,590 3.146,591 4.064,592 2.736,593 372.13,594 6.899,595 3221.74,597 1,599 1,600 147.207,601 1.379,602 4.023,603 0.158,605 0.074,606 0.048,607 0.054,608 0.029,609 0.017,610 0.013,611 0.016,613 0.409,614 0.83,615 1,616 0.604,617 67.834,618 -0.008,619 -0.202,620 0.027,621 -0.052,622 0.012,623 -0.004,624 0.14,625 -0.068,626 0.056,627 -0.024,628 0.09,629 -0.018,630 -0.056,631 -0.028,632 0.056,633 0.055,634 0.032,635 0.118,636 -0.049,637 -0.014,638 -0.05,639 -0.071,640 0.005,641 -0.092,642 -0.251,643 0.202,644 0.002,645 0.202,646 -0.271,647 0.093,648 0.162,649 -0.169,650 -0.054,651 -0.246,652 -0.021,653 -0.324,654 0.033,655 -0.21,656 -0.088,657 -0.199,658 -0.021,659 -0.197,660 -0.068,661 -0.037,662 -0.138,663 -0.044,664 -0.059,665 0.038,666 1.594,667 5.317,668 0.882,669 8.401,670 1.005,671 1.121,672 3.122,673 9.749,674 0.696,675 2.996,676 3.332,677 3.638,678 3.932,679 4.205,680 4.344,681 4.331,682 4.419,683 4.419,684 4.277,685 3.851,686 0.658,687 248.73,688 2.996,689 4.533,690 5.398,691 6.29,692 7.175,693 8.076,694 8.968,695 9.872,696 10.768,697 11.672,698 6.7,705 1,707 1,715 3,720 3,722 6,730 1,740 1,741 30,743 8,744 1,745 19,747 32,748 13,749 6,750 3,751 3,752 2,756 3,757 6,758 1,767 4,770 4,772 8,773 5,777 2,782 1,785 1,786 2,790 1,793 13,794 3,796 4,797 1,802 2,804 1,808 0.333,809 1,829 2,830 1,833 1,834 1,859 1,865 1,868 17,876 5,881 1,892 1,893 3.3,896 1,901 8.5,902 5.46,903 3.694,904 2.072,907 1.8,908 1.271,909 1.005,910 2.732,911 8.439,912 3.219,913 3.773,914 4.334,915 4.889,916 5.42,917 5.714,918 5.92,919 6.185,920 6.383,921 6.324,922 1,923 31,924 6.318,926 2.756,927 0.026,929 7.732,931 12.232,933 10.432,936 2.232,937 37.944,938 0.003,941 153.024,942 57.148,943 19.91,944 39.149,945 25.145,948 57.148,949 217.318,950 19.91,952 15.368,953 28.429,954 32.177,955 26.228,957 153.024,958 39.149,959 153.024,960 77.058,961 25.145,962 39.149,964 129.482,965 48.687,968 32.154,969 44.904,970 39.149,972 153.024,973 45.055,974 96.297,977 153.024,978 28.719,979 31.553,981 81.079,982 153.024,983 45.055,984 96.297,986 0.584,987 0.348,988 0.197,989 0.114,990 15,991 6,994 2,995 1.267,996 2.882,997 126.792,998 0.267,999 15,1000 69.487,1005 10.94,1006 4.245,1007 1.898,1009 45.055,1010 5.284,1015 2.013,1018 294.376,1019 24,1024 12.317,1027 4.576,1028 0.978,1031 30.156,1032 33.641,1034 0.333,1035 0.677,1036 0.835,1037 0.932,1038 0.932,1039 0.932,1040 4.472,1041 0.177,1042 5.389,1043 2.278,1044 4.007,1045 4.454,1046 1.958,1047 6.229,1048 3.913,1049 5.664,1050 -0.082,1051 6.963,1052 0.442,1053 3.611,1054 4.27,1055 1.048,1056 7.177,1057 3.418,1058 6.974,1059 -0.35,1060 8.642,1061 -0.202,1062 5.617,1063 6.58,1064 2.312,1065 10.323,1066 5.44,1067 8.318,1068 -0.49,1069 10.382,1070 -0.791,1071 6.043,1072 7.2,1073 1.951,1074 12.104,1075 5.797,1076 9.696,1077 -1.033,1078 12.162,1079 -1.275,1080 7.526,1081 9.007,1082 2.835,1083 14.776,1084 7.279,1085 11.098,1086 -1.217,1087 13.97,1088 -2.893,1089 8.35,1090 10.011,1091 2.805,1092 16.903,1093 8.057,1094 12.519,1095 -1.417,1096 15.797,1097 -3.081,1098 9.625,1099 11.609,1100 3.477,1101 19.408,1102 9.318,1103 3.21,1104 -1.708,1105 17.64,1106 -3.793,1107 10.636,1108 12.807,1109 3.645,1110 21.685,1111 10.294,1112 2.603,1113 11.055,1114 19.494,1115 -4.422,1116 11.833,1117 14.309,1118 4.199,1119 24.127,1120 11.468,1121 2.193,1122 8.469,1123 21.358,1124 4.113,1125 12.927,1126 15.609,1127 4.477,1128 26.471,1129 12.531,1130 1.959,1131 6.556,1132 23.229,1133 3.25,1134 14.097,1135 17.065,1136 4.965,1137 28.888,1138 13.675,1139 1.602,1140 5.533,1141 25.106,1142 2.841,1143 15.229,1144 18.419,1145 5.305,1146 31.262,1147 14.776,1148 1.347,1149 3.495,1150 26.988,1151 2.482,1152 16.391,1153 19.853,1154 5.757,1155 33.67,1156 15.91,1157 0.965,1158 3.351,1159 28.875,1160 1.712,1161 17.54,1162 21.234,1163 6.129,1164 36.059,1165 17.028,1166 2124,1167 3649,1168 12.83,1169 20.892,1170 28.771,1171 29.747,1172 29.42,1173 28.337,1174 28.114,1175 34.903,1176 5.546,1177 82.36,1178 26.691,1179 5.463,1180 5.814,1181 6.524,1182 5.25,1183 5.21,1184 7.113,1185 2.629,1186 18.595,1187 5.106,1188 6.506,1189 1.514,1190 1.566,1191 1.548,1192 1.491,1193 1.48,1194 1.837,1195 0.292,1196 4.335,1197 1.405,1198 4.018,1199 4.051,1200 4.055,1201 3.92,1202 7.428,1203 3.927,1204 3.745,1205 3.795,1206 3.74,1207 3.638,1208 4.959,1209 3.626,1210 3.345,1211 3.39,1212 3.426,1213 3.169,1214 4.603,1215 3.181,1216 3.294,1217 3.37,1218 3.144,1219 3.132,1220 4.162,1221 3.121,1222 2.974,1223 3.016,1224 3.009,1225 2.821,1226 3.99,1227 2.816,1228 2.761,1229 2.831,1230 2.795,1231 2.622,1232 3.655,1233 2.608,1234 2.574,1235 2.602,1236 2.582,1237 2.321,1238 3.501,1239 2.358,1240 2.224,1241 2.336,1242 2.125,1243 1.964,1244 3.079,1245 1.939,1246 0.238,1247 0.201,1248 0.356,1249 0.22,1250 0.169,1251 4.517,1252 0.216,1253 3.814,1254 0.079,1255 6.772,1256 0.582,1257 4.177,1258 0.163,1259 3.21,1260 4.113,1261 1.506,1262 11.055,1263 3.106,1264 1.938,1265 1.917,1266 1.998,1267 2.052,1268 1.323,1269 2.039,1270 1.707,1271 1.644,1272 1.965,1273 1.871,1274 1.164,1275 1.907,1276 1.55,1277 1.496,1278 1.74,1279 1.719,1280 0.995,1281 1.733,1282 1.041,1283 1.023,1284 1.208,1285 1.256,1286 0.44,1287 1.237,1288 0.936,1289 0.869,1290 1.178,1291 1.148,1292 0.29,1293 1.167,1294 0.743,1295 0.649,1296 1.106,1297 0.985,1298 0.185,1299 1.038,1300 0.466,1301 0.384,1302 0.855,1303 0.748,1304 0.037,1305 0.782,1306 0.34,1307 0.304,1308 0.65,1309 0.643,1311 0.627,1312 3.664,1314 4.99,1316 6.524,1317 2.708,1318 8.165,1319 5.094,1320 9.867,1323 5.938,1328 5.017,1333 1.823,1340 19.746,1341 48.995,1342 99.723,1343 122.942,1344 137.207,1345 137.207,1346 137.207,1347 24.131,1348 6.639,1349 34.89,1350 34.89,1351 19,1352 12.193,1353 3.17,1354 2.585,1355 23.541,1356 43,1357 34,1358 0.313,1359 124.571,1360 218.28,1361 295.714,1362 5788,1363 3.3,1364 11.828,1365 0.696,1366 0.6,1367 12.328,1368 10.204,1369 8.254,1370 0.434,1371 0.333,1372 5.921,1373 7.728,1374 5.789,1375 4.75,1376 8.543,1377 6.323,1378 7.499,1379 0.278,1380 0.181,1381 7.907,1382 4.893,1383 6.477,1384 0.175,1385 0.095,1386 6.74,1387 3.514,1388 5.59,1389 0.112,1390 0.051,1391 5.824,1392 2.558,1393 4.628,1394 0.07,1395 0.029,1396 4.86,1397 1.896,1398 0.456,1399 54.223,1400 0.279,1401 16.499,1402 0.97,1403 92,1404 259.229,1405 114.591,1406 281.097,1407 376.94,1408 262,1409 110,1410 257.837,1411 127.58,1412 269.057,1413 399.54,1414 255,1415 4}
{0 CHEMBL165304,1 1.273,2 5.8,3 2.863,4 8.194,5 62.04,6 6.462,7 0.353,8 3.522,9 3.658,10 3.005,11 3.101,12 4.404,13 3.045,14 4.117,15 4.32,16 3.338,17 3.515,18 4.927,19 3.425,20 4.442,21 4.696,22 3.442,23 3.698,24 5.178,25 3.577,26 4.46,27 4.745,28 3.115,29 3.583,30 5.145,31 3.403,32 4.226,33 4.535,34 2.791,35 3.339,36 4.832,37 3.136,38 3.87,39 4.152,40 2.44,41 3.07,42 4.489,43 2.85,44 3.644,45 3.941,46 1.961,47 2.765,48 4.234,49 2.498,50 3.277,51 3.659,52 0.753,53 2.065,54 3.664,55 1.662,56 0.035,57 0.459,58 7.368,59 2.988,60 4.347,61 4.342,62 0.118,63 0.787,64 13.801,65 5.098,66 9.302,67 7.579,68 0.141,69 1.021,70 19.279,71 6.805,72 13.64,73 10.349,74 0.171,75 0.988,76 19.807,77 6.677,78 15.56,79 10.293,80 0.114,81 0.734,82 15.448,83 5.826,84 11.417,85 8.697,86 0.051,87 0.511,88 10.539,89 4.574,90 6.972,91 6.574,92 0.038,93 0.39,94 8.359,95 3.657,96 6.221,97 5.258,98 0.033,99 0.23,100 5.813,101 2.351,102 4.47,103 3.477,105 23,106 0.244,107 0.556,108 0.756,109 0.864,110 0.877,111 0.877,112 2.798,113 1.03,114 -4.34,115 -4.27,116 -4.03,121 41.9,123 4,127 2,144 4,145 1,146 1,160 1,176 7,179 1,180 6,187 6,192 6,200 3,206 5,214 3,219 1,227 6,239 7,251 4,281 136,282 10.569,283 10.569,284 10.569,285 10.569,286 10.569,287 9.634,288 13.472,289 6.464,290 10.724,291 8.442,292 8.442,293 8.442,294 8.442,295 8.442,296 7.017,297 17.805,298 3.112,299 8.72,300 3.681,301 2.057,302 1.016,303 0.452,304 0.387,305 0.387,306 3.483,311 1,312 1,313 194,314 1.414,318 43.998,319 27.813,322 37.254,323 40.908,325 0.907,326 5.47,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 31,338 87,339 4.35,340 3.469,341 6.359,342 3.996,343 3.043,344 3.92,345 1.469,346 9.833,347 2.908,348 3.805,349 2.778,350 5.876,351 3.486,352 2.524,353 3.085,354 0.739,355 8.121,356 2.418,357 3.09,358 2.273,359 4.739,360 2.78,361 1.827,362 2.196,363 0.169,364 5.237,365 1.738,366 2.887,367 1.662,368 4.032,369 2.609,370 1.618,371 2.047,373 3.407,374 1.602,375 2.644,376 1.537,377 3.733,378 2.397,379 1.403,380 1.643,382 3.346,383 1.393,384 2.562,385 1.451,386 3.613,387 2.323,388 1.338,389 1.564,391 2.988,392 1.316,393 1.866,394 0.806,395 3.097,396 1.589,397 0.618,398 0.736,400 1.442,401 0.599,402 1.097,403 0.199,404 2.697,405 0.875,406 -0.096,407 -0.103,409 -0.229,410 -0.093,411 0.959,412 0.048,413 2.329,414 0.765,415 -0.209,416 -0.232,418 -0.502,419 -0.203,420 0.639,421 -0.412,422 2.237,423 0.354,424 -0.618,425 -0.714,427 -1.578,428 -0.598,429 0.298,430 -0.71,431 2,432 -0.029,433 -1,434 -1.209,436 -2.484,437 -0.967,438 0.201,439 -0.969,440 1.572,441 -0.105,442 -1.081,443 -1.537,445 -2.919,446 -1.055,447 -0.386,448 -1.427,449 1.255,450 -0.638,451 -1.618,452 -1.803,454 -3.825,455 -1.578,456 -0.5,457 -1.469,458 1.079,459 -0.841,460 -1.794,461 -1.843,463 -5.091,464 -1.704,465 -0.748,466 -1.568,467 0.823,468 -0.988,469 -1.956,470 -2.143,471 -0.594,472 -5.275,473 -1.865,474 7.3,475 0.487,476 0.239,477 0.016,478 17.75,479 1.183,480 8,481 0.533,482 9.75,483 0.65,484 11.429,485 0.762,486 16.1,487 0.519,488 8.645,489 0.576,490 3.094,491 0.206,492 4.339,493 0.289,496 0.26,501 0.887,502 1.377,503 0.898,504 1.129,505 0.724,506 1.035,507 1.156,508 1.166,509 1.016,510 1.056,511 0.825,512 1.031,513 1.275,514 1.101,515 0.961,516 0.957,517 1.016,518 0.939,519 1.605,520 1.018,521 1.195,522 1.018,523 1.422,524 1.065,525 1.019,526 0.746,527 0.951,528 0.838,529 1.085,530 0.88,531 0.447,532 0.956,533 1.042,534 1.135,535 0.856,536 1.133,537 0.327,538 1.056,539 1.1,540 1.254,541 0.991,542 1.239,543 0.233,544 0.755,545 0.786,546 0.896,547 0.671,548 0.885,549 2,551 1.333,552 0.625,553 0.837,554 0.212,555 0.069,556 0.015,559 1660,560 2910,561 2.228,562 51.6,563 4,564 8,568 2,569 2,572 1.534,573 2.195,574 2.639,575 -0.846,579 1,582 39.474,583 1.273,584 2.897,585 3.938,586 4.503,587 4.567,588 4.567,589 1.933,590 2.79,591 3.887,592 2.632,593 276.351,594 6.523,595 2204.62,597 1,600 153.58,601 0.837,602 3.881,603 0.118,605 0.058,606 0.025,607 0.052,608 0.018,609 0.009,610 0.004,613 0.283,614 0.83,615 1,617 56.911,618 0.103,619 -0.2,620 0.09,621 -0.051,622 0.183,623 0.006,624 0.108,625 -0.052,626 -0.017,627 -0.062,628 0.131,629 -0.051,630 -0.034,631 -0.071,632 0.032,633 -0.002,634 0.053,635 0.016,636 -0.256,637 -0.021,638 -0.204,639 -0.105,640 -0.194,641 -0.142,642 -0.113,643 0.163,644 0.008,645 0.109,646 -0.106,647 0.075,648 -0.024,649 -0.074,650 -0.122,651 -0.122,652 -0.144,653 -0.128,654 0.009,655 -0.218,656 -0.193,657 -0.25,658 -0.223,659 -0.239,660 0.173,661 -0.05,662 0.126,663 0.031,664 0.05,665 0.067,666 0.481,667 1.77,668 1,669 6.738,670 0.98,671 1.126,672 3.106,673 9.65,674 0.656,675 2.89,676 3.178,677 3.466,678 3.738,679 4.025,680 4.094,681 4.094,682 4.159,683 4.19,684 3.989,685 3.617,686 0.604,687 200.31,688 2.89,689 4.394,690 5.242,691 6.107,692 6.974,693 7.848,694 8.722,695 9.599,696 10.476,697 11.354,698 6.5,701 1,707 1,715 4,720 2,722 6,741 31,743 7,744 1,745 17,747 33,748 13,749 6,750 2,751 4,752 1,756 3,757 6,767 4,770 4,772 7,773 6,777 1,785 1,786 1,790 1,793 16,794 2,796 2,802 2,804 1,808 0.333,829 2,830 1,833 1,834 1,855 1,859 1,868 15,876 6,881 1,901 6.833,902 5.483,903 3.306,904 2.163,907 1.669,908 1.261,909 1.015,910 2.298,911 8.056,912 3.091,913 3.597,914 4.123,915 4.643,916 5.177,917 5.324,918 5.602,919 5.88,920 6.083,921 5.821,922 0.75,923 25,924 5.579,925 -0.001,926 2.357,927 0.026,929 7.3,931 11.336,933 9.724,936 1.8,937 27,938 0.014,941 188.338,942 60.525,943 19.91,948 60.525,949 188.338,950 19.91,952 14.35,953 37.905,954 2.328,955 25.852,957 188.338,959 188.338,960 80.435,964 164.795,965 23.542,968 34.259,969 46.175,972 188.338,973 19.91,974 60.525,977 188.338,978 22.62,979 41.029,981 16.786,982 188.338,983 19.91,984 60.525,986 0.568,987 0.334,988 0.191,989 0.113,990 13,991 4,994 2,995 1.267,996 2.807,997 104.055,998 0.267,999 15,1000 58.603,1005 9.11,1006 3.784,1007 1.7,1009 19.91,1010 8.511,1015 2.564,1018 268.772,1019 21,1027 4.77,1028 1.311,1031 30.389,1032 34.903,1034 0.257,1035 0.585,1036 0.795,1037 0.909,1038 0.922,1039 0.922,1040 4.311,1041 -0.096,1042 5.187,1043 1.442,1044 3.85,1045 4.277,1046 1.743,1047 5.964,1048 3.782,1049 5.456,1050 -0.209,1051 6.711,1052 -0.229,1053 3.219,1054 3.829,1055 1.048,1056 6.763,1057 3.074,1058 6.73,1059 -0.618,1060 8.34,1061 -0.502,1062 5.389,1063 6.328,1064 2.018,1065 9.889,1066 5.234,1067 8.04,1068 -1,1069 10.034,1070 -1.578,1071 5.638,1072 6.751,1073 1.886,1074 11.549,1075 5.397,1076 9.387,1077 -1.081,1078 11.771,1079 -2.484,1080 7.216,1081 8.689,1082 2.535,1083 14.142,1084 6.965,1085 10.759,1086 -1.618,1087 13.536,1088 -2.919,1089 7.912,1090 9.545,1091 2.674,1092 16.147,1093 7.583,1094 12.153,1095 -1.794,1096 15.319,1097 -3.825,1098 9.219,1099 11.216,1100 3.183,1101 18.547,1102 8.871,1103 3.043,1104 -1.956,1105 17.116,1106 -5.091,1107 10.134,1108 12.298,1109 3.452,1110 20.699,1111 9.718,1112 2.524,1113 9.833,1114 18.922,1115 -5.275,1116 11.322,1117 13.831,1118 3.896,1119 23.023,1120 10.876,1121 1.827,1122 8.121,1123 20.734,1124 3.92,1125 12.339,1126 15.036,1127 4.225,1128 25.242,1129 11.835,1130 1.618,1131 5.237,1132 22.552,1133 3.085,1134 13.477,1135 16.495,1136 4.638,1137 27.538,1138 12.936,1139 1.403,1140 3.407,1141 24.373,1142 2.196,1143 14.543,1144 17.768,1145 4.996,1146 29.787,1147 13.949,1148 1.338,1149 3.346,1150 26.198,1151 2.047,1152 15.661,1153 19.186,1154 5.395,1155 32.073,1156 15.026,1157 0.618,1158 2.988,1159 28.025,1160 1.643,1161 16.749,1162 20.499,1163 5.767,1164 34.338,1165 16.064,1166 1594,1167 2180,1168 12.019,1169 20.341,1170 25.113,1171 24.773,1172 25.014,1173 24.771,1174 24.745,1175 30.379,1176 4.754,1177 68.751,1178 23.947,1179 5.291,1180 5.469,1181 6.114,1182 5.068,1183 5.043,1184 6.92,1185 2.496,1186 16.556,1187 4.908,1189 1.477,1190 1.457,1191 1.471,1192 1.457,1193 1.456,1194 1.787,1195 0.28,1196 4.044,1197 1.409,1198 4.011,1199 4.055,1200 3.951,1201 3.912,1202 4.867,1203 3.915,1204 3.742,1205 3.795,1206 3.616,1207 3.632,1208 4.417,1209 3.62,1210 3.319,1211 3.398,1212 3.184,1213 3.15,1214 4.028,1215 3.15,1216 3.293,1217 3.37,1218 3.116,1219 3.131,1220 3.828,1221 3.115,1222 2.949,1223 3.024,1224 2.788,1225 2.807,1226 3.602,1227 2.795,1228 2.752,1229 2.834,1230 2.589,1231 2.611,1232 3.348,1233 2.596,1234 2.508,1235 2.614,1236 2.287,1237 2.279,1238 3.226,1239 2.266,1240 2.209,1241 2.34,1242 1.905,1243 1.953,1244 2.705,1245 1.924,1246 0.256,1247 0.204,1248 0.374,1249 0.235,1250 0.179,1251 4.35,1252 0.231,1253 3.469,1254 0.086,1255 6.359,1256 0.578,1257 3.996,1258 0.171,1259 3.043,1260 3.92,1261 1.469,1262 9.833,1263 2.908,1264 1.951,1265 1.919,1266 2.056,1267 2.067,1268 1.324,1269 2.065,1270 1.708,1271 1.644,1272 1.967,1273 1.872,1274 1.244,1275 1.908,1276 1.559,1277 1.497,1278 1.765,1279 1.735,1280 1,1281 1.749,1282 1.105,1283 1.034,1284 1.414,1285 1.304,1286 0.636,1287 1.347,1288 0.937,1289 0.869,1290 1.204,1291 1.15,1292 0.428,1293 1.169,1294 0.748,1295 0.65,1296 1.128,1297 0.993,1298 0.207,1299 1.047,1300 0.472,1301 0.383,1302 0.898,1303 0.762,1304 0.09,1305 0.815,1306 0.438,1307 0.316,1308 0.818,1309 0.709,1311 0.754,1312 3.555,1314 4.844,1316 6.344,1317 2.708,1318 7.948,1319 5.094,1320 9.609,1328 7.39,1333 2.454,1340 18.73,1341 39.474,1342 89.806,1343 122.07,1344 139.58,1345 141.58,1346 141.58,1347 13.53,1348 6.387,1349 15.6,1350 15.6,1351 19,1352 11.891,1353 3,1354 2.322,1355 19.852,1356 36,1357 20,1358 0.316,1359 115.17,1360 196.92,1361 272.774,1362 4351,1364 10.088,1365 0.673,1366 0.596,1367 10.088,1368 8.946,1369 7.433,1370 0.437,1371 0.343,1372 5.794,1373 7.275,1374 5.676,1375 4.693,1376 7.433,1377 5.838,1378 6.434,1379 0.28,1380 0.191,1381 6.434,1382 4.389,1383 5.594,1384 0.18,1385 0.106,1386 5.594,1387 3.296,1388 4.765,1389 0.116,1390 0.06,1391 4.765,1392 2.445,1393 4.173,1394 0.076,1395 0.034,1396 4.173,1397 1.859,1398 0.462,1399 45.579,1400 0.288,1401 14.779,1402 0.969,1403 80,1404 165.29,1405 84.524,1406 165.491,1407 238.41,1408 158,1409 94,1410 184.634,1411 99.329,1412 188.248,1413 277.38,1414 179,1415 5.425}
{0 CHEMBL165726,1 1.447,2 6.25,3 3.527,4 12.44,5 66.845,6 7.573,7 0.333,8 3.532,9 3.656,10 3.137,11 3.139,12 4.446,13 3.083,14 4.127,15 4.319,16 3.523,17 3.565,18 5.001,19 3.477,20 4.456,21 4.694,22 3.624,23 3.755,24 5.266,25 3.634,26 4.471,27 4.743,28 3.35,29 3.638,30 5.205,31 3.463,32 4.245,33 4.532,34 3.156,35 3.398,36 4.985,37 3.206,38 3.883,39 4.151,40 2.845,41 3.147,42 4.577,43 2.941,44 3.676,45 3.936,46 2.589,47 2.904,48 4.409,49 2.656,50 3.345,51 3.649,52 2.177,53 2.39,54 4.085,55 2.054,56 0.018,57 0.447,58 6.514,59 2.905,60 2.803,61 4.074,62 0.104,63 0.772,64 13.587,65 5.18,66 9.338,67 7.341,68 0.161,69 1.002,70 22.007,71 7.304,72 16.384,73 10.379,74 0.197,75 0.979,76 22.426,77 7.235,78 16.498,79 10.434,80 0.231,81 0.714,82 20.507,83 6.31,84 19.202,85 9.003,86 0.059,87 0.501,88 12.328,89 4.851,90 7.531,91 6.758,92 0.066,93 0.371,94 12.225,95 4.114,96 8.363,97 5.557,98 0.092,99 0.203,100 12.39,101 3.085,102 9.255,103 3.993,104 2,105 25,106 0.278,107 0.596,108 0.788,109 0.877,110 0.877,111 0.877,112 2.856,113 1.053,114 -4.87,115 -4.78,116 -4.48,121 41.9,123 4,127 2,144 3,145 1,146 2,160 1,176 5,179 1,180 6,187 6,192 6,200 5,206 3,214 3,219 3,227 6,239 5,251 4,264 2,281 162,282 11.016,283 11.016,284 11.016,285 11.016,286 11.016,287 10.057,288 15.074,289 6.601,290 11.308,291 8.926,292 8.926,293 8.926,294 8.926,295 8.926,296 7.428,297 19.416,298 3.191,299 9.47,300 3.507,301 1.848,302 0.847,303 0.387,304 0.387,305 0.387,306 3.539,308 1,311 1,312 1,313 220,314 1.581,318 48.066,319 31.774,322 40.8,323 46.055,325 1.031,326 8.29,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 33.333,338 100,339 4.379,340 3.477,341 6.371,342 4.013,343 3.061,344 3.988,345 1.469,346 9.882,347 2.917,348 3.889,349 2.992,350 5.902,351 3.537,352 2.597,353 3.207,354 0.739,355 8.24,356 2.436,357 3.391,358 2.568,359 4.964,360 2.96,361 2.077,362 2.646,363 0.169,364 5.816,365 1.765,366 3.081,367 2.272,368 4.705,369 2.77,370 1.814,371 2.192,373 5.14,374 1.719,375 2.671,376 1.646,377 4.05,378 2.58,379 1.593,380 1.67,382 3.448,383 1.559,384 2.565,385 1.536,386 3.726,387 2.327,388 1.342,389 1.567,391 3.318,392 1.32,393 1.905,394 0.907,395 3.19,396 1.633,397 0.674,398 0.795,400 1.591,401 0.636,402 1.202,403 0.448,404 2.741,405 0.923,411 1.077,412 0.188,413 2.405,414 0.834,415 -0.122,416 -0.137,418 -0.294,419 -0.115,420 0.712,421 -0.065,422 2.355,423 0.443,424 -0.488,425 -0.546,427 -1.275,428 -0.401,429 0.388,430 -0.45,431 2.316,432 0.109,433 -0.783,434 -0.925,436 -2.106,437 -0.661,438 0.218,439 -0.785,440 1.826,441 -0.091,442 -1.056,443 -1.257,445 -2.909,446 -1.001,447 -0.034,448 -0.993,449 1.355,450 -0.465,451 -1.277,452 -1.663,454 -3.474,455 -1.097,456 -0.429,457 -1.468,458 1.28,459 -0.761,460 -1.676,461 -1.803,463 -3.99,464 -1.596,465 -0.5,466 -1.476,467 1.049,468 -0.843,469 -1.794,470 -1.922,472 -5.239,473 -1.704,474 8.014,475 0.501,476 0.346,477 0.022,478 18.5,479 1.156,480 8,481 0.5,482 10.5,483 0.656,484 13.263,485 0.829,486 17.186,487 0.554,488 9.24,489 0.578,490 3.167,491 0.198,492 4.66,493 0.291,494 0.089,496 0.299,501 0.667,502 1.375,503 0.615,504 0.989,505 0.544,506 0.949,507 0.83,508 1.159,509 0.69,510 0.918,511 0.529,512 0.94,513 1.054,514 1.103,515 0.86,516 0.928,517 0.869,518 0.929,519 1.122,520 1.018,521 0.869,522 0.941,523 0.999,524 1.023,525 0.73,526 0.777,527 0.888,528 0.919,529 0.86,530 0.916,531 0.483,532 0.939,533 0.731,534 0.979,535 0.669,536 1.026,537 0.939,538 1.039,539 1.305,540 1.256,541 1.316,542 1.236,543 1.874,544 0.726,545 2.144,546 1.234,547 2.258,548 1.085,549 3,551 1.556,552 0.813,553 1.028,554 0.295,555 0.19,556 0.077,557 0.031,559 1947,560 4519,561 2.174,562 48.4,563 4,564 7,568 2,569 2,572 1.554,573 2.087,574 2.724,575 -0.795,577 1,579 1,582 44.871,583 1.447,584 3.106,585 4.107,586 4.567,587 4.567,588 4.567,589 2.203,590 3.281,591 3.977,592 2.752,593 330.199,594 6.705,595 2742.54,597 1,599 1,600 153.58,601 1.198,602 3.954,603 0.167,605 0.062,606 0.03,607 0.057,608 0.021,609 0.019,610 0.013,611 0.016,613 0.385,614 0.83,615 1,616 0.5,617 62.698,618 0.026,619 -0.201,620 0.035,621 -0.049,622 0.07,623 0.001,624 0.042,625 -0.04,626 0.031,627 -0.005,628 0.166,629 -0.011,630 -0.082,631 -0.068,632 -0.015,633 -0.004,634 0.012,635 0.009,636 -0.163,637 -0.008,638 -0.077,639 -0.045,640 -0.121,641 -0.101,642 0.18,643 0.136,644 0.057,645 0.043,646 0.089,647 0.058,648 0.072,649 -0.054,650 0.084,651 0.012,652 0.005,653 -0.018,654 -0.034,655 -0.212,656 -0.11,657 -0.201,658 -0.195,659 -0.209,660 -0.16,661 -0.054,662 -0.163,663 -0.066,664 -0.283,665 -0.02,666 0.854,667 1.906,668 0.938,669 7.781,670 0.991,671 1.124,672 3.638,673 13.235,674 0.684,675 2.944,676 3.258,677 3.526,678 3.807,679 4.111,680 4.205,681 4.22,682 4.317,683 4.344,684 4.159,685 3.852,686 0.631,687 234.75,688 2.944,689 4.466,690 5.313,691 6.188,692 7.057,693 7.938,694 8.815,695 9.699,696 10.579,697 11.464,698 6.5,701 1,707 1,715 3,720 3,722 6,740 1,741 31,743 7,744 1,745 18,747 33,748 13,749 6,750 3,751 3,752 1,756 3,757 6,758 1,767 4,770 4,772 7,773 6,777 1,785 1,786 1,790 1,793 15,794 2,796 3,797 1,802 2,804 1,808 0.333,829 2,830 1,833 1,834 1,855 1,859 1,865 1,868 16,876 6,881 1,892 1,901 7.667,902 5.543,903 3.472,904 2.143,907 1.669,908 1.256,909 1.01,910 2.7,911 8.191,912 3.135,913 3.676,914 4.193,915 4.726,916 5.279,917 5.495,918 5.743,919 6.034,920 6.222,921 5.989,922 1,923 27,924 5.934,926 2.522,927 0.026,929 7.424,931 11.896,933 10.201,936 1.924,937 30.778,938 0.008,941 176.567,942 54.549,943 19.91,944 39.149,948 54.549,949 215.715,950 19.91,952 14.35,953 28.429,954 2.328,955 29.353,957 176.567,958 39.149,959 176.567,960 74.459,962 39.149,964 153.024,965 23.542,968 34.259,969 40.2,970 39.149,972 176.567,973 19.91,974 93.698,977 176.567,978 26.12,979 31.553,981 55.934,982 176.567,983 19.91,984 93.698,986 0.578,987 0.332,988 0.186,989 0.113,990 14,991 5,994 2,995 1.267,996 2.866,997 114.22,998 0.267,999 15,1000 64,1005 10.307,1006 4.191,1007 2.03,1009 19.91,1010 6.006,1015 3.183,1018 290.174,1019 22,1027 4.752,1028 1.271,1031 30.713,1032 34.847,1034 0.292,1035 0.627,1036 0.829,1037 0.922,1038 0.922,1039 0.922,1040 4.376,1042 5.283,1043 1.591,1044 3.932,1045 4.357,1046 1.743,1047 6.071,1048 3.818,1049 5.546,1050 -0.122,1051 6.819,1053 3.434,1054 4.086,1055 1.048,1056 6.88,1057 3.179,1058 6.838,1059 -0.488,1060 8.454,1061 -0.294,1062 5.493,1063 6.449,1064 2.018,1065 9.986,1066 5.274,1067 8.161,1068 -0.783,1069 10.147,1070 -1.275,1071 5.802,1072 6.979,1073 1.886,1074 11.619,1075 5.463,1076 9.517,1077 -1.056,1078 11.878,1079 -2.106,1080 7.323,1081 8.836,1082 2.535,1083 14.219,1084 7.004,1085 10.895,1086 -1.277,1087 13.635,1088 -2.909,1089 8.042,1090 9.757,1091 2.674,1092 16.207,1093 7.632,1094 12.291,1095 -1.676,1096 15.409,1097 -3.474,1098 9.324,1099 11.384,1100 3.183,1101 18.615,1102 8.909,1103 3.061,1104 -1.794,1105 17.197,1106 -3.99,1107 10.248,1108 12.512,1109 3.452,1110 20.76,1111 9.762,1112 2.597,1113 9.882,1114 18.996,1115 -5.239,1116 11.425,1117 14.023,1118 3.896,1119 23.091,1120 10.917,1121 2.077,1122 8.24,1123 20.802,1124 3.988,1125 12.448,1126 15.264,1127 4.225,1128 25.309,1129 11.88,1130 1.814,1131 5.816,1132 22.614,1133 3.207,1134 13.582,1135 16.715,1136 4.638,1137 27.61,1138 12.982,1139 1.593,1140 5.14,1141 24.432,1142 2.646,1143 14.651,1144 18.018,1145 4.996,1146 29.862,1147 13.998,1148 1.342,1149 3.448,1150 26.254,1151 2.192,1152 15.77,1153 19.437,1154 5.395,1155 32.152,1156 15.077,1157 0.674,1158 3.318,1159 28.079,1160 1.67,1161 16.861,1162 20.775,1163 5.767,1164 34.421,1165 16.118,1166 1889,1167 2974,1168 12.425,1169 21.199,1170 26.651,1171 26.876,1172 26.928,1173 26.497,1174 26.316,1175 32.131,1176 4.754,1177 74.87,1178 24.707,1179 5.321,1180 5.477,1181 6.126,1182 5.085,1183 5.061,1184 6.988,1185 2.496,1186 16.622,1187 4.917,1188 4.605,1189 1.481,1190 1.493,1191 1.496,1192 1.472,1193 1.462,1194 1.785,1195 0.264,1196 4.159,1197 1.373,1198 4.014,1199 4.055,1200 4.044,1201 3.922,1202 4.971,1203 3.924,1204 3.745,1205 3.795,1206 3.729,1207 3.639,1208 4.646,1209 3.626,1210 3.325,1211 3.397,1212 3.394,1213 3.169,1214 4.162,1215 3.167,1216 3.294,1217 3.37,1218 3.116,1219 3.131,1220 3.916,1221 3.115,1222 2.951,1223 3.024,1224 2.999,1225 2.817,1226 3.823,1227 2.802,1228 2.773,1229 2.83,1230 2.77,1231 2.657,1232 3.568,1233 2.637,1234 2.508,1235 2.614,1236 2.331,1237 2.279,1238 3.254,1239 2.266,1240 2.22,1241 2.338,1242 2.217,1243 1.975,1244 3.04,1245 1.943,1246 0.243,1247 0.193,1248 0.354,1249 0.223,1250 0.17,1251 4.379,1252 0.222,1253 3.477,1254 0.082,1255 6.371,1256 0.549,1257 4.013,1258 0.162,1259 3.061,1260 3.988,1261 1.469,1262 9.882,1263 2.917,1264 1.947,1265 1.92,1266 2.03,1267 2.059,1268 1.324,1269 2.056,1270 1.708,1271 1.644,1272 1.967,1273 1.872,1274 1.245,1275 1.908,1276 1.555,1277 1.497,1278 1.743,1279 1.72,1280 0.998,1281 1.735,1282 1.103,1283 1.034,1284 1.402,1285 1.299,1286 0.628,1287 1.342,1288 0.925,1289 0.872,1290 1.186,1291 1.127,1292 0.425,1293 1.148,1294 0.745,1295 0.65,1296 1.078,1297 0.983,1298 0.18,1299 1.034,1300 0.463,1301 0.385,1302 0.891,1303 0.754,1304 0.07,1305 0.808,1306 0.438,1307 0.316,1308 0.778,1309 0.691,1311 0.736,1312 3.611,1314 4.92,1316 6.428,1317 2.708,1318 8.038,1319 5.094,1320 9.705,1323 6.017,1328 7.14,1333 2.408,1340 19.558,1341 44.871,1342 96.296,1343 127.315,1344 141.58,1345 141.58,1346 141.58,1347 16.355,1348 6.522,1349 15.6,1350 15.6,1351 19,1352 11.998,1353 3,1354 2.322,1355 21.717,1356 41,1357 30,1358 0.305,1359 123.503,1360 212.13,1361 293.106,1362 5093,1363 3.2,1364 10.958,1365 0.685,1366 0.625,1367 11.458,1368 10.003,1369 7.826,1370 0.435,1371 0.351,1372 5.924,1373 7.36,1374 5.77,1375 4.743,1376 8.115,1377 6.315,1378 7.068,1379 0.283,1380 0.199,1381 7.476,1382 4.97,1383 5.93,1384 0.18,1385 0.109,1386 6.192,1387 3.581,1388 5.02,1389 0.114,1390 0.061,1391 5.255,1392 2.676,1393 4.445,1394 0.074,1395 0.034,1396 4.697,1397 2.028,1398 0.448,1399 51.118,1400 0.284,1401 15.738,1402 0.921,1403 86,1404 199.494,1405 106.043,1406 227.648,1407 309.78,1408 214,1409 101,1410 211.497,1411 116.087,1412 224.895,1413 330.93,1414 213,1415 6.301}
{0 CHEMBL166194,1 1.53,2 6.235,3 3.447,4 11.878,5 69.131,6 7.992,7 0.316,8 3.543,9 3.667,10 3.184,11 3.143,12 4.567,13 3.103,14 4.103,15 4.28,16 3.587,17 3.565,18 5.083,19 3.496,20 4.446,21 4.678,22 3.729,23 3.757,24 5.391,25 3.67,26 4.448,27 4.697,28 3.548,29 3.649,30 5.463,31 3.528,32 4.253,33 4.526,34 3.258,35 3.446,36 5.192,37 3.302,38 3.984,39 4.234,40 3.079,41 3.228,42 4.938,43 3.039,44 3.79,45 4.068,46 2.61,47 2.96,48 4.504,49 2.695,50 3.345,51 3.649,52 2.177,53 2.39,54 4.085,55 2.054,56 0.014,57 0.467,58 5.934,59 2.7,60 4.331,61 3.692,62 0.093,63 0.778,64 12.131,65 4.933,66 9.34,67 6.814,68 0.165,69 1.021,70 21.29,71 6.769,72 19.6,73 9.521,74 0.252,75 1.005,76 21.023,77 6.397,78 33.244,79 9.184,80 0.183,81 0.792,82 17.39,83 5.508,84 27.618,85 7.906,86 0.159,87 0.555,88 14.136,89 4.833,90 25.272,91 6.821,92 0.093,93 0.393,94 14.975,95 4.691,96 13.861,97 6.361,98 0.1,99 0.195,100 12.847,101 3.137,102 12.371,103 4.113,104 5,105 27,106 0.291,107 0.652,108 0.795,109 0.883,110 0.883,111 0.883,112 2.911,113 1.006,114 -4.76,115 -4.67,116 -4.39,121 41.9,123 4,127 1,144 3,145 1,146 2,160 2,176 5,179 1,180 6,183 1,185 1,187 7,192 5,197 1,200 3,206 6,209 1,211 4,214 4,224 2,227 5,232 1,237 1,239 7,251 3,264 2,281 203,282 11.569,283 11.569,284 11.569,285 11.569,286 11.569,287 10.542,288 15.302,289 6.82,290 11.881,291 9.383,292 9.383,293 9.383,294 9.383,295 9.383,296 7.707,297 19.999,298 3.254,299 9.967,300 3.425,301 1.532,302 0.783,303 0.323,304 0.323,305 0.323,306 3.59,308 1,311 1,312 1,313 231,314 1.732,318 51.99,319 33.771,322 44.29,323 49.93,325 0.983,326 13.666,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 35.833,338 106,339 4.517,340 3.58,341 6.772,342 4.159,343 3.21,344 4.113,345 1.472,346 11.055,347 3.05,348 3.901,349 2.975,350 6.002,351 3.543,352 2.603,353 3.25,354 0.785,355 8.469,356 2.44,357 3.577,358 2.677,359 5.336,360 3.122,361 2.193,362 2.841,363 0.184,364 6.556,365 2.016,366 3.291,367 2.427,368 4.891,369 2.861,370 1.959,371 2.482,373 5.533,374 1.706,375 2.684,376 1.667,377 4.14,378 2.589,379 1.602,380 1.712,382 3.495,383 1.564,384 2.643,385 1.535,386 3.775,387 2.329,388 1.347,389 1.642,391 3.351,392 1.321,393 2.272,394 1.213,395 3.568,396 1.925,397 0.965,398 1.185,400 2.278,401 0.913,402 1.606,403 0.593,404 2.964,405 1.119,406 0.177,407 0.226,409 0.442,410 0.165,411 1.196,412 0.381,413 2.663,414 0.852,415 -0.082,416 -0.094,418 -0.202,419 -0.068,420 0.824,421 0.021,422 2.356,423 0.595,424 -0.35,425 -0.402,427 -0.791,428 -0.304,429 0.718,430 -0.214,431 2.334,432 0.394,433 -0.49,434 -0.557,436 -1.275,437 -0.41,438 0.318,439 -0.725,440 1.894,441 -0.056,442 -1.033,443 -1.393,445 -2.893,446 -0.951,447 0.058,448 -0.84,449 1.796,450 -0.437,451 -1.217,452 -1.535,454 -3.081,455 -1.011,456 -0.157,457 -1.091,458 1.346,459 -0.485,460 -1.417,461 -1.757,463 -3.793,464 -1.317,465 -0.431,466 -1.467,467 1.318,468 -0.791,469 -1.708,470 -1.814,472 -4.422,473 -1.625,474 8.414,475 0.495,476 0.418,477 0.025,478 20.75,479 1.221,480 9.5,481 0.559,482 11.25,483 0.662,484 13.506,485 0.794,486 17.986,487 0.58,488 11.897,489 0.7,490 3.638,491 0.214,492 4.616,493 0.272,494 0.132,496 0.345,501 0.738,502 1.307,503 0.6,504 0.931,505 0.766,506 0.889,507 0.653,508 1.152,509 0.65,510 0.947,511 0.471,512 0.941,513 1.058,514 1.089,515 0.816,516 0.853,517 0.774,518 0.831,519 1.056,520 1.105,521 0.869,522 1,523 1.096,524 1.047,525 1.088,526 0.826,527 0.765,528 0.763,529 1.541,530 0.884,531 0.545,532 0.975,533 0.895,534 1.165,535 1.029,536 1.202,537 0.908,538 0.877,539 1.39,540 1.236,541 0.763,542 1.193,543 1.636,544 0.687,545 2.153,546 1.272,547 1.228,548 1.12,549 3,551 2,552 1.5,553 1.249,554 0.493,555 0.19,556 0.077,557 0.031,559 2162,560 5609,561 2.127,562 45.2,563 4,564 5,567 1,568 2,569 2,572 1.576,573 2,574 2.693,575 -0.256,577 1,578 1,579 1,582 47.417,583 1.53,584 3.422,585 4.171,586 4.632,587 4.632,588 4.632,589 2.184,590 3.146,591 4.064,592 2.736,593 372.13,594 6.899,595 3221.74,596 1,597 1,599 1,600 153.58,601 1.379,602 4.023,603 0.158,605 0.074,606 0.048,607 0.054,608 0.029,609 0.017,610 0.013,611 0.016,613 0.409,614 0.83,615 1,616 0.604,617 67.834,618 -0.038,619 -0.135,620 0.023,621 -0.013,622 -0.049,623 0.021,624 0.137,625 -0.052,626 0.054,627 -0.027,628 0.132,629 -0.017,630 -0.088,631 -0.063,632 0.036,633 0.072,634 0.038,635 0.105,636 -0.043,637 -0.069,638 -0.074,639 -0.115,640 0.027,641 -0.139,642 -0.176,643 0.164,644 0.01,645 0.142,646 -0.244,647 0.055,648 0.233,649 -0.068,650 0.025,651 -0.173,652 0.046,653 -0.202,654 -0.009,655 -0.126,656 -0.088,657 -0.13,658 -0.07,659 -0.109,660 -0.127,661 -0.065,662 -0.153,663 -0.054,664 -0.136,665 0.012,666 1.094,667 3.265,668 0.882,669 8.401,670 0.998,671 1.127,672 3.528,673 12.449,674 0.692,675 2.996,676 3.332,677 3.638,678 3.932,679 4.205,680 4.344,681 4.331,682 4.419,683 4.419,684 4.277,685 3.851,686 0.647,687 247.75,688 2.996,689 4.533,690 5.398,691 6.29,692 7.175,693 8.076,694 8.968,695 9.872,696 10.768,697 11.672,698 9.7,701 1,707 2,715 3,720 3,722 6,740 1,741 31,743 8,744 1,745 19,747 33,748 13,749 6,750 3,751 3,752 2,756 3,757 6,758 1,767 4,770 4,772 8,773 5,777 2,781 1,785 1,786 2,790 1,793 14,794 3,795 1,796 4,797 1,802 3,804 2,808 0.333,829 2,830 1,833 1,834 1,855 1,859 1,865 1,868 17,876 5,881 1,892 1,901 8.5,902 5.543,903 3.694,904 2.093,907 1.8,908 1.271,909 1.013,910 2.732,911 8.439,912 3.219,913 3.773,914 4.334,915 4.889,916 5.42,917 5.714,918 5.92,919 6.185,920 6.383,921 6.324,922 1,923 31,924 6.29,926 2.71,927 0.026,929 7.614,931 12.302,933 10.486,936 2.114,937 35.944,938 0.003,941 153.024,942 54.771,943 51.582,944 39.149,948 54.771,949 192.173,950 51.582,952 12.244,953 28.429,954 4.656,955 61.025,957 153.024,958 39.149,959 153.024,960 106.353,962 39.149,964 129.482,965 23.542,968 63.826,969 42.528,970 39.149,972 153.024,973 51.582,974 93.92,977 153.024,978 26.343,979 31.553,981 87.606,982 153.024,983 51.582,984 93.92,986 0.584,987 0.348,988 0.197,989 0.114,990 15,991 6,994 2,995 1.267,996 2.882,997 126.792,998 0.267,999 15,1000 69.487,1005 10.94,1006 4.245,1007 1.898,1009 51.582,1010 5.569,1015 2.415,1017 31.672,1018 298.526,1019 24,1023 8.265,1027 4.656,1028 1.603,1031 30.931,1032 34.93,1034 0.309,1035 0.691,1036 0.842,1037 0.935,1038 0.935,1039 0.935,1040 4.472,1041 0.177,1042 5.389,1043 2.278,1044 4.007,1045 4.454,1046 1.773,1047 6.229,1048 3.89,1049 5.664,1050 -0.082,1051 6.963,1052 0.442,1053 3.611,1054 4.27,1055 1.048,1056 7.177,1057 3.364,1058 6.974,1059 -0.35,1060 8.642,1061 -0.202,1062 5.617,1063 6.58,1064 2.047,1065 10.323,1066 5.392,1067 8.318,1068 -0.49,1069 10.382,1070 -0.791,1071 6.043,1072 7.2,1073 1.895,1074 12.104,1075 5.708,1076 9.696,1077 -1.033,1078 12.162,1079 -1.275,1080 7.526,1081 9.007,1082 2.558,1083 14.776,1084 7.197,1085 11.098,1086 -1.217,1087 13.97,1088 -2.893,1089 8.35,1090 10.011,1091 2.689,1092 16.903,1093 7.937,1094 12.519,1095 -1.417,1096 15.797,1097 -3.081,1098 9.625,1099 11.609,1100 3.205,1101 19.408,1102 9.196,1103 3.21,1104 -1.708,1105 17.64,1106 -3.793,1107 10.636,1108 12.807,1109 3.471,1110 21.685,1111 10.14,1112 2.603,1113 11.055,1114 19.494,1115 -4.422,1116 11.833,1117 14.309,1118 3.919,1119 24.127,1120 11.305,1121 2.193,1122 8.469,1123 21.358,1124 4.113,1125 12.927,1126 15.609,1127 4.249,1128 26.471,1129 12.341,1130 1.959,1131 6.556,1132 23.229,1133 3.25,1134 14.097,1135 17.065,1136 4.665,1137 28.888,1138 13.471,1139 1.602,1140 5.533,1141 25.106,1142 2.841,1143 15.229,1144 18.419,1145 5.025,1146 31.262,1147 14.549,1148 1.347,1149 3.495,1150 26.988,1151 2.482,1152 16.391,1153 19.853,1154 5.426,1155 33.67,1156 15.666,1157 0.965,1158 3.351,1159 28.875,1160 1.712,1161 17.54,1162 21.234,1163 5.8,1164 36.059,1165 16.763,1166 2124,1167 3525,1168 12.83,1169 21.443,1170 28.771,1171 28.755,1172 29.42,1173 28.303,1174 28.114,1175 34.903,1176 4.881,1177 82.36,1178 26.351,1179 5.463,1180 5.58,1181 6.524,1182 5.232,1183 5.21,1184 7.113,1185 2.501,1186 18.595,1187 5.05,1188 6.506,1189 1.514,1190 1.513,1191 1.548,1192 1.49,1193 1.48,1194 1.837,1195 0.257,1196 4.335,1197 1.387,1198 4.016,1199 4.055,1200 4.051,1201 3.921,1202 5.822,1203 3.927,1204 3.745,1205 3.795,1206 3.737,1207 3.638,1208 4.948,1209 3.626,1210 3.352,1211 3.42,1212 3.422,1213 3.182,1214 4.59,1215 3.191,1216 3.295,1217 3.37,1218 3.144,1219 3.136,1220 4.16,1221 3.124,1222 2.996,1223 3.076,1224 3.009,1225 2.831,1226 3.987,1227 2.826,1228 2.769,1229 2.852,1230 2.81,1231 2.624,1232 3.647,1233 2.61,1234 2.638,1235 2.699,1236 2.594,1237 2.426,1238 3.498,1239 2.437,1240 2.238,1241 2.37,1242 2.134,1243 1.974,1244 3.079,1245 1.949,1246 0.238,1247 0.188,1248 0.356,1249 0.219,1250 0.169,1251 4.517,1252 0.216,1253 3.58,1254 0.077,1255 6.772,1256 0.582,1257 4.159,1258 0.161,1259 3.21,1260 4.113,1261 1.472,1262 11.055,1263 3.05,1264 1.941,1265 1.915,1266 2.003,1267 2.053,1268 1.323,1269 2.042,1270 1.707,1271 1.644,1272 1.965,1273 1.871,1274 1.167,1275 1.907,1276 1.553,1277 1.496,1278 1.741,1279 1.72,1280 0.995,1281 1.734,1282 1.1,1283 1.044,1284 1.269,1285 1.331,1286 0.441,1287 1.327,1288 0.937,1289 0.87,1290 1.203,1291 1.149,1292 0.305,1293 1.168,1294 0.746,1295 0.654,1296 1.115,1297 0.986,1298 0.188,1299 1.04,1300 0.509,1301 0.421,1302 0.896,1303 0.838,1304 0.044,1305 0.863,1306 0.466,1307 0.366,1308 0.741,1309 0.689,1311 0.734,1312 3.664,1314 4.99,1316 6.524,1317 2.708,1318 8.165,1319 5.094,1320 9.867,1323 5.978,1328 5.413,1333 2.045,1340 20.053,1341 47.417,1342 106.096,1343 129.315,1344 143.58,1345 143.58,1346 143.58,1347 21.221,1348 6.639,1349 41.67,1350 41.67,1351 19,1352 12.193,1353 3.17,1354 2.585,1355 23.541,1356 43,1357 34,1358 0.313,1359 127.369,1360 220.49,1361 302.542,1362 5788,1363 3.2,1364 11.828,1365 0.696,1366 0.606,1367 12.328,1368 10.296,1369 8.254,1370 0.434,1371 0.335,1372 5.972,1373 7.756,1374 5.833,1375 4.795,1376 8.543,1377 6.369,1378 7.499,1379 0.278,1380 0.183,1381 7.907,1382 4.937,1383 6.477,1384 0.175,1385 0.096,1386 6.74,1387 3.563,1388 5.59,1389 0.112,1390 0.052,1391 5.824,1392 2.599,1393 4.628,1394 0.07,1395 0.029,1396 4.86,1397 1.92,1398 0.456,1399 53.934,1400 0.279,1401 16.499,1402 0.97,1403 92,1404 229.826,1405 113.459,1406 259.169,1407 353.18,1408 242,1409 110,1410 247.328,1411 126.42,1412 260.278,1413 385.44,1414 247,1415 5.9}
{0 CHEMBL166359,1 1.235,2 6.588,3 3.775,4 14.251,5 71.242,6 6.172,7 0.316,8 3.68,9 3.82,10 3.114,11 3.248,12 4.525,13 3.18,14 4.286,15 4.497,16 3.429,17 3.662,18 5.053,19 3.554,20 4.62,21 4.889,22 3.526,23 3.841,24 5.308,25 3.699,26 4.704,27 4.983,28 3.484,29 3.88,30 5.365,31 3.719,32 4.671,33 4.975,34 3.14,35 3.754,36 5.256,37 3.532,38 4.402,39 4.724,40 2.814,41 3.479,42 4.963,43 3.242,44 4.041,45 4.341,46 2.471,47 3.181,48 4.628,49 2.935,50 3.733,51 4.049,52 1.965,53 2.801,54 4.29,55 2.52,56 0.044,57 0.537,58 9.072,59 3.677,60 5.182,61 5.392,62 0.133,63 0.916,64 16.703,65 6.269,66 10.662,67 9.374,68 0.161,69 1.182,70 23.043,71 8.29,72 15.346,73 12.668,74 0.196,75 1.266,76 25.112,77 8.752,78 17.111,79 13.5,80 0.173,81 1.147,82 23.86,83 8.808,84 14.801,85 13.33,86 0.109,87 0.834,88 17.832,89 7.197,90 12.164,91 10.587,92 0.055,93 0.584,94 12.271,95 5.408,96 8.191,97 7.752,98 0.041,99 0.412,100 8.915,101 3.873,102 6.425,103 5.581,105 25,106 0.228,107 0.504,108 0.691,109 0.823,110 0.88,111 0.88,112 2.91,113 1.08,114 -4.86,115 -4.76,116 -4.47,121 40.5,123 6,127 2,144 4,145 1,146 1,160 1,176 9,179 1,180 6,187 8,192 6,200 5,206 7,214 6,219 3,227 6,239 9,251 8,264 4,281 232,282 11.983,283 11.983,284 11.983,285 11.983,286 11.983,287 11.048,288 13.472,289 7.464,290 12.138,291 9.442,292 9.442,293 9.442,294 9.442,295 9.442,296 8.017,297 17.805,298 3.612,299 9.72,300 3.974,301 2.476,302 1.459,303 0.744,304 0.432,305 0.432,306 3.601,311 1,312 1,313 246,314 1.414,318 49.662,321 40.263,322 41.964,325 1.024,326 5.829,328 1,329 1,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.98,337 35,338 112,339 4.349,340 3.467,341 6.359,342 3.994,343 3.042,344 3.92,345 1.469,346 9.833,347 2.906,348 3.801,349 2.776,350 5.875,351 3.479,352 2.518,353 3.082,354 0.739,355 8.119,356 2.409,357 3.099,358 2.286,359 4.743,360 2.823,361 1.865,362 2.201,363 0.169,364 5.252,365 1.785,366 2.892,367 1.81,368 4.063,369 2.785,370 1.789,371 2.046,373 3.637,374 1.779,375 2.785,376 1.631,377 3.843,378 2.467,379 1.478,380 1.795,382 3.572,383 1.46,384 2.666,385 1.469,386 3.62,387 2.414,388 1.419,389 1.684,391 3.012,392 1.41,393 2.168,394 1.057,395 3.292,396 1.863,397 0.891,398 1.067,400 2.099,401 0.864,402 1.645,403 0.709,404 2.935,405 1.583,406 0.597,407 0.614,409 1.287,410 0.588,411 1.305,412 0.425,413 2.682,414 1.161,415 0.185,416 0.202,418 0.434,419 0.18,420 0.846,421 -0.105,422 2.603,423 0.519,424 -0.445,425 -0.516,427 -1.182,428 -0.427,429 0.712,430 -0.362,431 2,432 0.428,433 -0.547,434 -0.635,436 -1.252,437 -0.533,438 0.406,439 -0.74,440 1.863,441 0.08,442 -0.905,443 -0.992,445 -2.079,446 -0.889,447 -0.027,448 -0.991,449 1.71,450 -0.169,451 -1.141,452 -1.386,454 -2.975,455 -1.105,456 -0.032,457 -1.028,458 1.225,459 -0.225,460 -1.205,461 -1.567,463 -3.026,464 -1.18,465 -0.473,466 -1.455,467 1.214,468 -0.727,469 -1.7,470 -1.879,472 -3.869,473 -1.643,474 8.3,475 0.488,476 0.239,477 0.014,478 18.75,479 1.103,480 8,481 0.471,482 10.75,483 0.632,484 14.903,485 0.877,486 18.7,487 0.505,488 9.246,489 0.544,490 3.094,491 0.182,492 5.339,493 0.314,496 0.229,501 0.906,502 1.394,503 0.965,504 1.175,505 0.74,506 1.092,507 1.153,508 1.209,509 1.068,510 1.117,511 0.829,512 1.092,513 1.231,514 1.083,515 0.952,516 0.957,517 0.978,518 0.939,519 1.53,520 1.014,521 1.08,522 0.958,523 1.283,524 0.984,525 1.258,526 0.963,527 1.117,528 1.018,529 1.09,530 1.051,531 0.749,532 0.759,533 0.911,534 0.873,535 1.041,536 0.898,537 0.326,538 0.973,539 0.995,540 1.12,541 0.91,542 1.106,543 0.334,544 0.995,545 1.018,546 1.145,547 1.001,548 1.131,549 2,551 1.333,552 0.625,553 0.907,554 0.285,555 0.145,556 0.043,557 0.01,559 2348,560 3874,561 2.2,562 54.1,563 8,564 8,568 2,569 2,572 1.573,573 2.17,574 2.797,575 -0.865,577 1,579 1,582 45.708,583 1.235,584 2.734,585 3.751,586 4.466,587 4.777,588 4.777,589 1.993,590 2.984,591 4.066,592 2.821,593 383.59,594 6.889,595 3375.49,596 1,597 1,599 1,600 192.75,601 0.787,602 4.063,603 0.105,605 0.053,606 0.023,607 0.036,608 0.018,609 0.012,610 0.005,611 0.002,613 0.256,614 0.83,615 1,617 68.675,618 0.114,619 -0.176,620 0.084,621 -0.043,622 0.206,623 0.008,624 0.116,625 -0.081,626 -0.037,627 -0.088,628 0.148,629 -0.075,630 0.003,631 -0.058,632 0.051,633 0.01,634 0.094,635 0.029,636 -0.159,637 0.012,638 -0.074,639 -0.017,640 -0.116,641 -0.035,642 -0.173,643 -0.014,644 -0.149,645 -0.082,646 -0.12,647 -0.108,648 -0.051,649 0.122,650 0.021,651 0.082,652 -0.103,653 0.061,654 0.021,655 -0.099,656 -0.084,657 -0.112,658 -0.136,659 -0.106,660 0.023,661 -0.153,662 -0.116,663 -0.161,664 -0.184,665 -0.15,666 0.474,667 1.853,668 1,669 8.844,670 0.977,671 1.128,672 3.626,673 13.149,674 0.645,675 2.996,676 3.258,677 3.526,678 3.784,679 4.06,680 4.127,681 4.234,682 4.331,683 4.277,684 4.127,685 4.06,686 0.589,687 228.37,688 2.996,689 4.489,690 5.323,691 6.176,692 7.033,693 7.897,694 8.763,695 9.633,696 10.504,697 11.377,698 5.4,701 1,707 1,715 4,720 2,722 6,741 37,743 7,744 1,745 19,747 39,748 15,749 6,750 2,751 4,752 1,756 3,757 6,767 6,770 6,772 7,773 8,777 1,785 1,786 1,790 1,793 20,794 2,796 2,802 2,804 1,808 0.333,829 2,832 1,833 1,855 1,859 1,868 17,876 8,881 1,901 7.833,902 6.483,903 3.806,904 2.663,907 1.666,908 1.251,909 0.996,910 3.236,911 8.31,912 3.178,913 3.651,914 4.155,915 4.662,916 5.188,917 5.334,918 5.634,919 5.915,920 6.101,921 5.856,922 0.6,923 27,924 6.336,926 2.643,927 0.026,929 7.265,931 12.969,933 11.057,936 1.765,937 30,938 0.009,941 235.422,942 65.594,943 19.91,948 65.594,949 235.422,950 19.91,952 19.419,953 37.905,954 2.328,955 25.852,957 235.422,959 235.422,960 85.504,964 211.88,965 23.542,968 39.328,969 46.175,972 235.422,973 19.91,974 65.594,977 235.422,978 27.689,979 41.029,981 16.786,982 235.422,983 19.91,984 65.594,986 0.56,987 0.324,988 0.184,989 0.108,990 13,991 4,994 2,995 1.235,996 2.999,997 121.795,998 0.235,999 17,1000 69.487,1005 10.977,1006 5.012,1007 2.42,1009 19.91,1010 8.567,1015 2.577,1018 320.926,1019 23,1027 4.853,1028 1.325,1031 36.156,1032 41.733,1034 0.237,1035 0.525,1036 0.72,1037 0.857,1038 0.917,1039 0.917,1040 4.388,1041 0.597,1042 5.252,1043 2.099,1044 3.932,1045 4.331,1046 1.743,1047 6.004,1048 3.869,1049 5.514,1050 0.185,1051 6.758,1052 1.287,1053 3.219,1054 3.829,1055 1.048,1056 6.763,1057 3.074,1058 6.775,1059 -0.445,1060 8.373,1061 0.434,1062 5.442,1063 6.35,1064 2.018,1065 9.899,1066 5.296,1067 8.072,1068 -0.547,1069 10.056,1070 -1.182,1071 5.638,1072 6.751,1073 1.886,1074 11.549,1075 5.397,1076 9.41,1077 -0.905,1078 11.785,1079 -1.252,1080 7.245,1081 8.696,1082 2.535,1083 14.144,1084 7.002,1085 10.776,1086 -1.141,1087 13.545,1088 -2.079,1089 7.907,1090 9.544,1091 2.674,1092 16.146,1093 7.578,1094 12.163,1095 -1.205,1096 15.325,1097 -2.975,1098 9.23,1099 11.217,1100 3.183,1101 18.546,1102 8.887,1103 3.042,1104 -1.7,1105 17.119,1106 -3.026,1107 10.126,1108 12.297,1109 3.452,1110 20.698,1111 9.709,1112 2.518,1113 9.833,1114 18.924,1115 -3.869,1116 11.322,1117 13.83,1118 3.896,1119 23.023,1120 10.879,1121 1.865,1122 8.119,1123 20.735,1124 3.92,1125 12.33,1126 15.035,1127 4.225,1128 25.241,1129 11.825,1130 1.789,1131 5.252,1132 22.552,1133 3.082,1134 13.471,1135 16.494,1136 4.638,1137 27.537,1138 12.933,1139 1.478,1140 3.637,1141 24.373,1142 2.201,1143 14.532,1144 17.767,1145 4.996,1146 29.786,1147 13.939,1148 1.419,1149 3.572,1150 26.198,1151 2.046,1152 15.652,1153 19.185,1154 5.395,1155 32.072,1156 15.019,1157 0.891,1158 3.012,1159 28.024,1160 1.795,1161 16.738,1162 20.498,1163 5.767,1164 34.337,1165 16.054,1166 2250,1167 2974,1168 13.405,1169 23.864,1170 27.629,1171 27.602,1172 27.455,1173 27.612,1174 27.569,1175 33.219,1176 4.754,1177 74.49,1178 26.764,1179 5.302,1180 5.467,1181 6.216,1182 5.066,1183 5.042,1184 6.92,1185 2.496,1186 16.556,1187 4.906,1189 1.454,1190 1.453,1191 1.445,1192 1.453,1193 1.451,1194 1.748,1195 0.25,1196 3.921,1197 1.409,1198 4.008,1199 4.052,1200 3.948,1201 3.91,1202 4.866,1203 3.913,1204 3.769,1205 3.824,1206 3.632,1207 3.662,1208 4.411,1209 3.646,1210 3.483,1211 3.56,1212 3.331,1213 3.345,1214 4.111,1215 3.326,1216 3.452,1217 3.521,1218 3.299,1219 3.281,1220 3.931,1221 3.283,1222 3.035,1223 3.114,1224 2.868,1225 2.899,1226 3.727,1227 2.88,1228 2.909,1229 2.988,1230 2.749,1231 2.755,1232 3.513,1233 2.745,1234 2.683,1235 2.789,1236 2.445,1237 2.479,1238 3.339,1239 2.455,1240 2.475,1241 2.581,1242 2.266,1243 2.276,1244 3.008,1245 2.261,1246 0.229,1247 0.182,1248 0.335,1249 0.21,1250 0.16,1251 4.349,1252 0.206,1253 3.467,1254 0.077,1255 6.359,1256 0.518,1257 3.994,1258 0.153,1259 3.042,1260 3.92,1261 1.469,1262 9.833,1263 2.906,1264 1.956,1265 1.923,1266 2.064,1267 2.076,1268 1.384,1269 2.074,1270 1.768,1271 1.705,1272 2.021,1273 1.925,1274 1.288,1275 1.962,1276 1.638,1277 1.578,1278 1.858,1279 1.797,1280 1.101,1281 1.82,1282 1.218,1283 1.143,1284 1.51,1285 1.43,1286 0.79,1287 1.463,1288 1.153,1289 1.073,1290 1.461,1291 1.369,1292 0.684,1293 1.405,1294 0.932,1295 0.86,1296 1.227,1297 1.136,1298 0.447,1299 1.172,1300 0.753,1301 0.671,1302 1.105,1303 0.977,1304 0.188,1305 1.027,1306 0.514,1307 0.41,1308 0.911,1309 0.795,1310 0.1,1311 0.837,1312 3.664,1314 4.934,1316 6.412,1318 7.997,1319 2.944,1320 9.643,1328 10.184,1333 2.494,1340 21.784,1341 45.708,1342 101.14,1343 138.776,1344 165.24,1345 176.75,1346 176.75,1347 17.27,1348 6.644,1349 15.6,1350 15.6,1351 21,1352 11.918,1353 3,1354 2.322,1355 23.592,1356 44,1357 28,1358 0.289,1359 134.354,1360 231.52,1361 319.585,1362 6370,1364 11.502,1365 0.677,1366 0.609,1367 11.502,1368 10.361,1369 8.433,1370 0.444,1371 0.36,1372 6.794,1373 8.275,1374 6.657,1375 5.527,1376 8.433,1377 6.838,1378 7.141,1379 0.286,1380 0.204,1381 7.141,1382 5.096,1383 6.094,1384 0.185,1385 0.115,1386 6.094,1387 3.796,1388 5.118,1389 0.119,1390 0.065,1391 5.118,1392 2.798,1393 4.423,1394 0.078,1395 0.037,1396 4.423,1397 2.109,1398 0.429,1399 51.579,1400 0.273,1401 16.76,1402 0.865,1403 88,1404 173.29,1405 92.524,1406 173.814,1407 249.93,1408 166,1409 102,1410 192.634,1411 107.329,1412 196.571,1413 288.9,1414 187,1415 4.869}
{0 CHEMBL16645,1 1.272,2 3.75,3 2.049,4 4.198,5 32.793,6 6.759,7 0.75,8 2.843,9 2.951,10 2.306,11 2.424,12 4.019,13 2.375,14 3.243,15 3.411,16 2.541,17 2.702,18 4.365,19 2.625,20 3.397,21 3.583,22 2.343,23 2.667,24 4.527,25 2.541,26 3.328,27 3.628,28 1.57,29 2.26,30 4.164,31 2.011,32 2.706,33 3.074,34 1.008,35 1.488,36 3.39,37 1.242,38 1.739,39 1.885,40 0.351,41 0.642,42 3.045,43 0.603,44 1.298,45 1.682,46 0.021,47 0.361,48 1.386,49 0.189,56 0.023,57 0.189,58 3.508,59 1.615,60 4.896,61 2.065,62 0.019,63 0.283,64 5.401,65 2.448,66 5.46,67 3.263,68 0.052,69 0.314,70 6.591,71 2.698,72 12.939,73 3.576,74 0.067,75 0.272,76 6.486,77 2.384,78 14.18,79 3.382,80 0.029,81 0.136,82 3.465,83 1.208,84 6.387,85 1.809,86 0.05,87 0.036,88 1.314,89 0.262,90 9.326,91 0.241,92 0.007,93 0.025,94 0.687,95 0.228,96 1.505,97 0.368,104 5,105 10,106 0.299,107 0.636,108 0.695,109 0.754,110 0.754,111 0.754,112 2.262,113 0.954,114 -3.09,115 -3.09,116 -2.97,121 43.8,122 1,144 4,145 1,146 1,176 5,185 2,187 6,197 2,200 4,211 1,224 1,281 12,282 5.138,283 5.138,284 5.138,285 5.138,286 5.138,287 4.309,288 4.582,289 3.145,290 5.178,291 3.933,292 3.933,293 3.933,294 3.933,295 3.933,296 2.809,297 2.633,298 1.52,299 4.014,300 2.728,301 1.297,302 1.047,303 0.797,304 0.797,305 0.797,306 2.805,312 1,313 58,314 1,318 22.133,325 0.75,326 5.513,329 1,330 0.67,331 0.83,332 0.5,333 0.5,334 1,335 1,336 0.79,337 17,338 30,339 3.978,340 2.746,341 5.236,342 3.544,343 2.562,344 3.589,346 6.623,347 2.517,348 3.351,349 2.303,350 4.732,351 2.967,352 2,353 2.637,355 5.275,356 1.925,357 2.5,358 1,359 3.414,360 2,361 1,362 1.5,364 2.275,365 1,366 1.269,367 0.408,368 2,369 0.953,375 0.5,376 -0.536,377 2,379 -1,380 -1.137,382 -2.275,383 -0.925,384 0.149,385 -1,386 1.268,387 -0.067,388 -1,389 -1.5,391 -3,392 -1,393 -0.248,394 -1.381,395 0.764,396 -0.598,397 -1.562,398 -2.089,400 -3.623,401 -1.517,402 -0.5,403 -2,404 0.586,405 -1,406 -2,407 -3,409 -5.275,410 -2,474 3.833,475 0.479,476 0.212,477 0.027,478 10.75,479 1.344,480 6.5,481 0.813,482 4.25,483 0.531,484 3.409,485 0.426,486 8.767,487 0.548,488 4.985,489 0.623,490 2.281,491 0.285,492 1.507,493 0.188,494 0.217,496 0.261,501 0.985,502 0.953,503 0.939,504 0.949,505 1.053,506 0.94,507 0.575,508 1.067,509 0.82,510 1.057,511 0.525,512 0.983,513 1.113,514 1.313,515 1.267,516 1.316,517 1.106,518 1.313,519 0.91,520 1.02,521 1.066,522 1.031,523 0.971,524 1.063,525 0.454,526 0.636,527 0.46,528 0.621,529 0.389,530 0.553,531 6.332,532 0.475,533 2.746,534 0.508,535 6.233,536 1.062,549 2,551 0.889,552 0.25,553 0.302,559 222,560 625,561 1.861,562 50,563 3,564 4,567 1,572 1.3,573 1.714,574 2.117,575 -0.158,582 20.349,583 1.272,584 2.703,585 2.953,586 3.203,587 3.203,588 3.203,589 1.5,590 0.811,591 2.981,592 1.991,593 55.735,594 4.649,595 288.266,600 64,601 1.5,602 2.906,603 0.25,605 0.089,606 0.036,607 0.151,613 0.526,614 1,615 1,616 0.875,617 21.826,618 -0.122,619 0.112,620 -0.042,621 0.102,622 -0.199,623 0.049,624 0.042,625 -0.056,626 0.064,627 -0.044,628 0.104,629 0.005,630 -0.124,631 -0.36,632 -0.354,633 -0.37,634 -0.121,635 -0.389,636 -0.051,637 -0.156,638 -0.129,639 -0.158,640 -0.104,641 -0.154,642 0.206,643 0.182,644 0.508,645 0.225,646 0.298,647 0.38,648 -1.515,649 0.343,650 -1.397,651 0.195,652 -1.632,653 -0.474,654 0.295,655 0.774,656 0.974,657 0.824,658 0.351,659 0.965,666 1.337,667 2.757,668 0.75,669 2.25,670 0.991,671 1.117,672 1.859,673 3.456,674 0.656,675 2.197,676 2.398,677 2.398,678 2.398,679 2.565,680 1.609,685 2.449,686 0.614,687 108.15,688 2.197,689 3.611,690 4.344,691 5.13,692 5.889,693 6.671,694 7.439,695 8.217,696 8.989,697 9.766,715 4,720 2,722 6,738 1,741 16,743 6,744 1,745 8,747 16,748 7,749 6,750 2,751 4,756 1,757 1,763 1,772 6,773 1,793 8,794 1,795 1,796 1,808 1,809 1,829 1,859 1,864 1,868 8,875 1,893 6.3,895 1,901 4.667,902 3.033,903 1.833,904 0.856,907 1.23,908 1.297,909 0.869,910 1.31,911 5.373,912 2.485,913 3.02,914 3.409,915 3.804,916 4.298,917 3.446,922 0.667,923 7,924 2.915,925 0.064,926 1.121,927 0.084,929 7.917,931 5.493,932 0.025,933 4.055,934 0.044,935 0.004,936 2.417,937 19.333,938 0.042,941 82.398,942 49.916,945 42.683,948 49.916,949 125.081,951 8.825,953 37.905,954 42.683,955 3.186,957 82.398,959 82.398,960 49.916,961 42.683,964 82.398,965 42.683,968 8.825,969 41.091,972 82.398,973 42.683,974 49.916,977 82.398,978 3.186,979 46.73,981 42.683,982 82.398,983 42.683,984 49.916,986 0.567,987 0.288,988 0.122,989 0.08,990 5,991 2,995 1,996 1.924,997 33.373,999 6,1000 20,1005 5.321,1006 1.969,1007 1.332,1009 42.683,1010 7.093,1015 1.499,1017 42.683,1018 174.997,1019 11,1031 15.862,1032 17.87,1034 0.318,1035 0.676,1036 0.738,1037 0.801,1038 0.801,1039 0.801,1040 3.597,1041 -2,1042 4.29,1043 -3.623,1044 3.045,1045 3.689,1047 4.89,1048 3.006,1049 4.781,1051 5.733,1052 -5.275,1053 2.565,1054 3.332,1056 5.38,1057 2.468,1058 6.039,1060 7.262,1062 4.443,1063 5.791,1065 8.238,1066 4.368,1067 7.327,1069 8.831,1071 4.615,1072 6.086,1074 9.383,1075 4.475,1076 8.636,1078 10.421,1080 6.061,1081 8.106,1083 11.781,1084 5.954,1085 9.959,1087 12.024,1089 6.553,1090 8.733,1092 13.216,1093 6.384,1094 11.292,1096 13.636,1098 7.785,1099 10.515,1101 15.413,1102 7.644,1103 2.562,1105 15.253,1107 8.454,1108 11.346,1110 17.01,1111 8.261,1112 2,1113 6.623,1114 16.876,1116 9.568,1117 12.976,1119 19.095,1120 9.394,1121 1,1122 5.275,1123 18.502,1124 3.589,1125 10.342,1126 13.944,1128 20.795,1129 10.124,1131 2.275,1132 20.131,1133 2.637,1134 11.388,1135 15.469,1137 22.811,1138 11.179,1139 -1,1141 21.763,1142 1.5,1143 12.226,1144 16.531,1146 24.578,1147 11.981,1148 -1,1149 -2.275,1150 23.397,1152 13.23,1153 17.983,1155 26.548,1156 12.987,1157 -1.562,1158 -3,1159 25.033,1160 -1.137,1161 14.109,1162 19.11,1164 28.359,1165 13.834,1166 274,1167 490,1168 4.97,1169 10.5,1170 11.408,1171 11.373,1172 11.765,1173 11.174,1174 11.123,1175 15.454,1177 28.347,1178 10.884,1179 4.478,1180 4.746,1181 4.65,1182 4.544,1183 4.562,1184 6.589,1186 11.898,1187 4.517,1188 3.627,1189 1.426,1190 1.422,1191 1.471,1192 1.397,1193 1.39,1194 1.932,1196 3.543,1197 1.361,1198 3.909,1199 3.936,1200 3.841,1201 3.843,1202 6.471,1203 3.838,1204 3.202,1205 3.269,1206 3.038,1207 3.027,1208 4.64,1209 3.018,1210 2.854,1211 2.925,1212 2.687,1213 2.735,1214 3.752,1215 2.715,1216 2.623,1217 2.693,1218 2.356,1219 2.312,1220 3.674,1221 2.304,1222 2.063,1223 2.169,1224 1.747,1225 1.535,1226 2.947,1227 1.582,1228 1.602,1229 1.802,1230 1.039,1231 1.217,1232 1.992,1233 1.144,1234 0.958,1235 1.207,1236 0.377,1237 0.561,1238 1.211,1239 0.485,1240 0.955,1241 1.207,1242 0.298,1243 0.522,1244 1.165,1245 0.432,1246 0.497,1247 0.343,1248 0.655,1249 0.443,1250 0.32,1251 3.978,1252 0.449,1253 2.746,1255 5.236,1256 0.828,1257 3.544,1258 0.315,1259 2.562,1260 3.589,1262 6.623,1263 2.517,1264 1.898,1265 1.873,1266 2.026,1267 1.99,1268 1.108,1269 2.002,1270 1.2,1271 1.133,1272 1.528,1273 1.434,1274 0.578,1275 1.467,1276 0.886,1277 0.821,1278 1.181,1279 1.062,1280 0.218,1281 1.107,1282 0.553,1283 0.478,1284 0.897,1285 0.939,1287 0.923,1290 0.531,1291 0.454,1293 0.494,1296 0.381,1297 0.133,1299 0.23,1312 2.833,1314 4.043,1316 5.451,1318 6.94,1320 8.463,1322 1.986,1327 8.757,1340 9.822,1341 20.349,1342 43.245,1343 47.245,1344 51.245,1345 51.245,1346 51.245,1347 6.657,1348 4.143,1349 20.23,1350 20.23,1351 6,1352 10.383,1353 2.807,1354 2,1355 12.023,1356 14,1357 6,1358 0.597,1359 65.737,1360 107.27,1361 152.159,1362 182,1364 5.983,1365 0.748,1366 0.595,1367 5.983,1368 4.757,1369 3.788,1370 0.473,1371 0.318,1372 2.53,1373 3.716,1374 2.406,1375 2.061,1376 3.788,1377 2.545,1378 3.365,1379 0.337,1380 0.184,1381 3.365,1382 1.836,1383 2.305,1384 0.23,1385 0.103,1386 2.305,1387 1.034,1388 1.427,1389 0.143,1390 0.054,1391 1.427,1392 0.545,1393 1.305,1394 0.109,1395 0.032,1396 1.305,1397 0.38,1398 0.823,1399 23.304,1400 0.449,1401 7.663,1402 1.848,1403 36,1404 102.15,1405 38.104,1406 102.492,1407 133.98,1408 94,1409 38,1410 93.03,1411 39.661,1412 97.181,1413 134.02,1414 90,1415 5.31}
{0 CHEMBL1668334,1 1.124,2 7.75,3 4.024,4 16.194,5 68.884,6 5.747,7 0.375,8 3.639,9 3.779,10 2.954,11 3.212,12 4.577,13 3.114,14 4.206,15 4.43,16 3.243,17 3.58,18 5.014,19 3.445,20 4.477,21 4.709,22 3.242,23 3.727,24 5.347,25 3.553,26 4.611,27 4.912,28 3.162,29 3.67,30 5.439,31 3.464,32 4.43,33 4.697,34 2.951,35 3.49,36 5.375,37 3.298,38 4.265,39 4.563,40 2.869,41 3.363,42 5.051,43 3.166,44 4.155,45 4.426,46 2.635,47 3.295,48 4.956,49 3.067,50 4.197,51 4.557,52 2.371,53 3.119,54 4.806,55 2.834,56 0.037,57 0.474,58 9.05,59 4.172,60 6.659,61 5.779,62 0.073,63 0.765,64 15.229,65 6.745,66 9.34,67 9.455,68 0.135,69 0.953,70 19.889,71 8.351,72 25.138,73 11.714,74 0.149,75 0.999,76 21.623,77 8.774,78 32.797,79 12.462,80 0.188,81 0.819,82 18.667,83 7.082,84 40.478,85 9.926,86 0.105,87 0.712,88 15.237,89 6.261,90 22.159,91 8.887,92 0.087,93 0.659,94 13.804,95 5.817,96 18.358,97 8.249,98 0.076,99 0.624,100 13.285,101 5.564,102 17.651,103 8.05,104 31,105 21,106 0.208,107 0.486,108 0.684,109 0.763,110 0.783,111 0.783,112 2.85,113 1.138,114 -5.05,115 -4.95,116 -4.64,121 39.5,122 4,123 2,124 2,144 4,145 2,158 1,176 13,180 2,187 17,192 2,200 13,206 4,214 11,219 2,227 9,232 2,239 10,244 1,251 7,256 1,264 6,277 3,281 280,282 10.069,283 10.069,284 10.069,285 10.069,286 10.069,287 9.162,288 10.131,289 6.048,290 10.032,291 7.877,292 7.877,293 7.877,294 7.877,295 7.877,296 6.513,297 6.463,298 2.888,299 7.809,300 4.124,301 2.627,302 1.56,303 1.132,304 1.027,305 1.027,306 3.467,311 1,312 1,313 240,314 3.464,318 58.666,325 1.281,326 11.144,328 1,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 33,338 124,339 4.121,340 3.651,341 6.05,342 3.847,343 2.843,344 3.671,345 2.178,346 8.676,347 2.856,348 3.741,349 2.994,350 5.214,351 3.49,352 2.468,353 2.964,355 6.574,356 2.519,357 3.504,358 2.48,359 5,360 3.243,361 2.241,362 2.736,364 5.946,365 2.244,366 2.97,367 2.1,368 4.389,369 2.837,370 1.812,371 1.977,373 4.444,374 1.851,375 2.5,376 1.425,377 3.847,378 2.215,379 1.201,380 1.5,382 3.006,383 1.215,384 2.458,385 1,386 3.414,387 2,388 1,389 1.423,391 2.275,392 1,393 1.102,394 0.655,395 2.591,396 0.84,397 -0.161,398 -0.182,400 -0.375,401 -0.161,402 0.835,403 0.19,404 2,405 0.645,406 -0.363,407 -0.394,409 -0.869,410 -0.364,411 0.662,412 -0.096,413 2,414 0.441,415 -0.647,416 -0.821,418 -1.445,419 -0.698,420 0.5,421 -0.926,422 1.657,424 -1,425 -1,427 -2,428 -1,430 -1,431 1.402,433 -1,434 -1.4,436 -2.973,437 -1,438 -0.044,439 -1,440 1,441 -0.229,442 -1.23,443 -1.5,445 -3,446 -1.232,447 -0.357,448 -1.257,449 1,450 -0.48,451 -1.51,452 -1.836,454 -3.842,455 -1.559,456 -0.5,457 -1.476,458 1,459 -0.717,460 -1.723,461 -1.901,463 -4.976,464 -1.737,465 -0.593,466 -1.622,467 0.849,468 -0.933,469 -1.933,470 -2.238,471 -0.68,472 -5.275,473 -1.934,474 7.833,475 0.49,476 0.514,477 0.032,478 15.75,479 0.984,480 7.5,481 0.469,482 8.25,483 0.516,484 15.054,485 0.941,486 18.567,487 0.489,488 8.713,489 0.545,490 2.685,491 0.168,492 4.801,493 0.3,494 0.298,496 0.319,501 0.561,502 1.233,503 1.098,504 1.232,505 0.615,506 1.203,507 0.56,508 1.063,509 0.936,510 1.059,511 0.547,512 1.026,513 1.283,514 1.222,515 1.251,516 1.225,517 1.327,518 1.234,519 0.981,520 0.952,521 0.884,522 0.942,523 0.972,524 0.911,525 2.323,526 0.983,527 1.242,528 0.984,529 2.308,530 1.037,531 0.972,532 0.881,533 0.866,534 0.877,535 0.907,536 0.866,537 0.953,538 1.235,539 1.224,540 1.24,541 0.975,542 1.248,543 0.317,544 0.746,545 0.667,546 0.746,547 0.315,548 0.731,549 4.5,551 1.778,552 1.125,553 0.622,554 0.486,555 0.203,556 0.196,557 0.07,558 0.071,559 1774,560 3360,561 1.828,562 57.9,563 14,564 4,568 4,572 1.548,573 1.655,574 2.971,575 -0.917,577 1,582 42.71,583 1.124,584 2.621,585 3.688,586 4.116,587 4.221,588 4.221,589 2.483,590 3.375,591 3.97,592 3.094,593 371.244,594 6.671,595 3281.93,597 1,599 1,600 199.421,601 1.579,602 3.882,603 0.281,605 0.085,606 0.059,607 0.037,608 0.037,609 0.016,610 0.022,611 0.01,612 0.024,613 0.57,614 0.67,615 1,616 2.024,617 65.578,622 -0.051,624 0.058,625 0.032,626 0.083,627 0.038,628 0.046,629 0.059,630 -0.121,631 -0.172,632 -0.215,633 -0.179,634 -0.157,635 -0.2,636 0.064,637 -0.01,638 0.078,639 -0.001,640 0.074,641 0.034,642 -0.245,643 -0.03,644 -0.187,645 -0.044,646 -0.204,647 -0.104,648 0.027,649 0.068,650 0.097,651 0.073,652 0.082,653 0.087,654 -0.089,655 -0.242,656 -0.251,657 -0.247,658 -0.098,659 -0.258,660 0.117,661 0.121,662 0.195,663 0.13,664 0.109,665 0.163,666 1.289,667 4.704,668 0.375,669 10.25,670 0.975,671 1.126,672 3.819,673 14.584,674 0.627,675 2.833,676 3.091,677 3.135,678 3.258,679 3.296,680 3.219,681 2.944,682 2.833,683 2.565,684 2.398,685 4.715,686 0.566,687 218.37,688 2.833,689 4.317,690 5.081,691 5.911,692 6.696,693 7.528,694 8.322,695 9.155,696 9.954,697 10.787,715 4,720 2,722 6,741 38,743 7,744 1,745 16,747 38,748 15,749 6,750 2,751 4,756 1,757 1,763 4,770 2,772 7,773 8,774 2,777 1,782 1,786 1,790 1,793 22,794 1,796 1,808 1,809 1,829 1,841 1,859 1,864 4,868 16,876 2,880 2,893 2.6,896 1,901 9.667,902 7.917,903 3.611,904 2.514,907 1.19,908 1.222,909 0.889,910 4.73,911 6.542,912 3.045,913 3.512,914 3.834,915 4.247,916 4.65,917 4.526,918 4.369,919 4.414,920 4.343,921 3.911,922 1,923 19,924 5.95,926 2.327,927 0.026,929 7.604,931 11.724,933 9.218,936 2.104,937 33.667,938 0.005,941 258.964,942 89.779,945 25.145,948 89.779,949 284.109,951 35.301,952 5.069,953 37.905,954 30.278,955 6.371,957 258.964,959 258.964,960 89.779,961 25.145,964 258.964,965 25.145,968 40.37,969 49.41,972 258.964,973 25.145,974 89.779,977 258.964,978 16.574,979 73.206,981 25.145,982 258.964,983 25.145,984 89.779,986 0.574,987 0.29,988 0.144,989 0.069,990 8,991 5,992 0.132,993 5,995 1,996 2.766,997 93.631,999 6,1000 55.245,1005 12.963,1006 5.838,1007 4.531,1009 25.145,1010 8.475,1015 2.534,1018 373.889,1019 20,1024 11.704,1028 0.378,1031 37.047,1032 42.777,1034 0.214,1035 0.499,1036 0.703,1037 0.784,1038 0.804,1039 0.804,1040 4.241,1041 -0.363,1042 5.069,1043 -0.375,1044 3.761,1045 4.19,1046 2.134,1047 5.765,1048 3.78,1049 5.413,1050 -0.647,1051 6.572,1052 -0.869,1053 3.434,1054 3.951,1055 2.036,1056 6.475,1057 3.472,1058 6.675,1059 -1,1060 8.167,1061 -1.445,1062 5.252,1063 6.176,1064 3.359,1065 9.435,1066 5.287,1067 7.962,1068 -1,1069 9.81,1070 -2,1071 5.602,1072 6.6,1073 3.746,1074 10.888,1075 5.655,1076 9.273,1077 -1.23,1078 11.484,1079 -2.973,1080 6.986,1081 8.431,1082 4.781,1083 13.395,1084 7.035,1085 10.599,1086 -1.51,1087 13.181,1088 -3,1089 7.657,1090 9.174,1091 5.379,1092 15.199,1093 7.722,1094 11.939,1095 -1.723,1096 14.894,1097 -3.842,1098 8.849,1099 10.818,1100 6.279,1101 17.516,1102 8.912,1103 2.843,1104 -1.933,1105 16.62,1106 -4.976,1107 9.687,1108 11.746,1109 6.973,1110 19.497,1111 9.761,1112 2.468,1113 8.676,1114 18.358,1115 -5.275,1116 10.79,1117 13.28,1118 7.81,1119 21.729,1120 10.864,1121 2.241,1122 6.574,1123 20.105,1124 3.671,1125 11.717,1126 14.328,1127 8.548,1128 23.8,1129 11.8,1130 1.812,1131 5.946,1132 21.86,1133 2.964,1134 12.779,1135 15.788,1136 9.354,1137 25.992,1138 12.864,1139 1.201,1140 4.444,1141 23.622,1142 2.736,1143 13.756,1144 16.917,1145 10.114,1146 28.108,1147 13.847,1148 1,1149 3.006,1150 25.39,1151 1.977,1152 14.801,1153 18.327,1154 10.905,1155 30.283,1156 14.893,1157 -0.161,1158 2.275,1159 27.162,1160 1.5,1161 15.804,1162 19.512,1163 11.675,1164 32.421,1165 15.902,1166 1956,1167 2737,1168 9.652,1169 23.83,1170 23.587,1171 24.132,1172 24.329,1173 23.115,1174 23.133,1175 28.544,1176 4.357,1177 61.841,1178 23.372,1179 5.019,1180 5.651,1181 5.464,1182 4.847,1183 4.843,1184 6.671,1185 3.677,1186 14.842,1187 4.856,1188 10.385,1189 1.474,1190 1.508,1191 1.521,1192 1.445,1193 1.446,1194 1.784,1195 0.272,1196 3.865,1197 1.461,1198 3.97,1199 4.002,1200 3.894,1201 3.912,1202 7.426,1203 3.904,1204 3.765,1205 3.812,1206 3.647,1207 3.644,1208 4.741,1209 3.636,1210 3.533,1211 3.599,1212 3.364,1213 3.409,1214 4.217,1215 3.39,1216 3.221,1217 3.281,1218 3.061,1219 3.034,1220 4.08,1221 3.029,1222 3.049,1223 3.15,1224 2.79,1225 2.856,1226 3.733,1227 2.827,1228 2.874,1229 3.009,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 2.854,1235 2.925,1236 2.499,1237 2.618,1238 3.467,1239 2.57,1240 2.666,1241 2.797,1242 2.31,1243 2.421,1244 3.407,1245 2.376,1246 0.258,1247 0.228,1248 0.378,1249 0.24,1250 0.178,1251 4.121,1252 0.229,1253 3.651,1254 0.136,1255 6.05,1256 0.542,1257 3.847,1258 0.179,1259 2.843,1260 3.671,1261 2.178,1262 8.676,1263 2.856,1264 1.959,1265 1.932,1266 2.094,1267 2.043,1268 1.334,1269 2.062,1270 1.762,1271 1.715,1272 1.99,1273 1.916,1274 1.219,1275 1.942,1276 1.557,1277 1.495,1278 1.822,1279 1.726,1280 1.002,1281 1.762,1282 1.205,1283 1.143,1284 1.514,1285 1.443,1286 0.638,1287 1.467,1288 1.086,1289 0.99,1290 1.474,1291 1.332,1292 0.542,1293 1.387,1294 0.934,1295 0.821,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.886,1301 0.804,1302 1.196,1303 1.062,1304 0.388,1305 1.107,1306 0.724,1307 0.598,1308 1.181,1309 1.022,1310 0.218,1311 1.089,1312 3.497,1314 4.762,1316 6.192,1318 7.698,1320 9.245,1322 8.393,1328 1.372,1332 0.81,1340 21.51,1341 42.71,1342 99.608,1343 140.137,1344 156.402,1345 160.402,1346 160.402,1347 35.105,1348 5.352,1349 17.07,1350 17.07,1351 6,1352 11.366,1353 3,1354 2.322,1355 34.661,1356 44,1357 40,1358 0.394,1359 139.549,1360 243.03,1361 332.259,1362 1004,1364 12.129,1365 0.758,1366 0.674,1367 12.129,1368 10.787,1369 7.486,1370 0.468,1371 0.379,1372 6.056,1373 7.415,1374 5.672,1375 4.889,1376 7.486,1377 6.07,1378 6.968,1379 0.332,1380 0.245,1381 6.968,1382 5.153,1383 4.513,1384 0.205,1385 0.128,1386 4.513,1387 2.816,1388 3.583,1389 0.143,1390 0.076,1391 3.583,1392 1.893,1393 2.202,1394 0.085,1395 0.041,1396 2.202,1397 1.07,1398 0.611,1399 45.494,1400 0.322,1401 16.435,1402 1.09,1403 74,1404 161.736,1405 76.104,1406 162.458,1407 213.68,1408 150,1409 80,1410 146.636,1411 81.661,1412 154.611,1413 214.95,1414 143,1415 4.089}
{0 CHEMBL1669479,1 1.575,2 14.938,3 0.791,4 0.626,5 128.347,6 7.296,7 0.364,8 4.24,9 4.382,10 3.772,11 3.727,12 5.263,13 3.677,14 4.815,15 5.035,16 4.144,17 4.142,18 5.78,19 4.067,20 5.129,21 5.342,22 4.256,23 4.399,24 6.162,25 4.247,26 5.365,27 5.666,28 4.149,29 4.378,30 6.163,31 4.188,32 5.192,33 5.455,34 4.188,35 4.318,36 6.135,37 4.171,38 5.201,39 5.447,40 4.047,41 4.32,42 6.192,43 4.137,44 5.1,45 5.358,46 3.917,47 4.065,48 6.197,49 3.928,50 4.882,51 5.148,52 3.753,53 3.843,54 6.001,55 3.751,56 0.03,57 0.924,58 14.821,59 5.773,60 8.876,61 8.378,62 0.392,63 1.445,64 29.964,65 9.201,66 28.386,67 13.844,68 0.509,69 1.81,70 43.042,71 15.284,72 77.928,73 21.336,74 0.659,75 1.933,76 63.64,77 17.636,78 82.775,79 25.806,80 0.652,81 1.77,82 48.814,83 13.921,84 74.741,85 20.358,86 0.67,87 1.664,88 58.826,89 16.334,90 81.327,91 22.358,92 0.634,93 1.472,94 45.853,95 12.282,96 104.185,97 17.546,98 0.66,99 1.195,100 36.398,101 8.422,102 91.053,103 12.327,104 65,105 46,106 0.253,107 0.513,108 0.647,109 0.686,110 0.695,111 0.695,112 3.501,113 1.07,114 2.91,115 2.61,116 2.13,121 36.4,126 4,127 6,144 8,145 2,146 2,160 2,176 8,183 2,187 12,189 2,191 1,195 2,196 1,199 2,200 8,203 2,214 2,216 6,221 2,224 2,229 2,234 2,237 2,238 2,244 2,249 6,256 4,261 4,269 8,274 2,280 1,281 1932,282 20.328,283 20.328,284 20.328,285 20.328,286 20.328,287 18.474,288 25.64,289 11.953,290 20.892,291 16.233,292 16.233,293 16.233,294 16.233,295 16.233,296 13.506,297 31.137,298 5.64,299 17.24,300 4.47,301 2.849,302 2.015,303 1.773,304 1.712,305 1.712,306 4.16,308 2,312 1,313 980,314 5.292,318 277.654,325 2.328,326 30.548,329 1,330 0.5,331 0.83,332 0.9,333 1,334 0.83,335 0.5,336 0.8,337 68.667,338 478,339 4.313,340 3.824,341 6.758,342 4.145,343 3.231,344 3.798,345 1.26,346 11.099,347 2.955,348 4.312,349 3.627,350 6.757,351 4.144,352 3.23,353 3.798,354 1.26,355 11.099,356 2.952,357 4.043,358 3.625,359 5.959,360 3.725,361 2.718,362 3.336,363 1.058,364 8.332,365 2.734,366 3.998,367 3.106,368 5.958,369 3.624,370 2.694,371 3.136,372 1.058,373 8.331,374 2.477,375 3.985,376 3.105,377 5.871,378 3.619,379 2.679,380 3.13,381 0.245,382 7.928,383 2.474,384 2.901,385 2.892,386 4.233,387 2.604,388 1.645,389 2.055,390 0.245,391 3.899,392 1.566,393 2.883,394 1.932,395 4.215,396 2.444,397 1.458,398 2.053,400 3.777,401 1.44,402 2.871,403 1.932,404 4.098,405 2.428,406 1.438,407 1.951,409 3.702,410 1.425,411 2.823,412 1.573,413 3.668,414 2.338,415 1.414,416 1.945,418 2.976,419 1.231,420 2.816,421 1.571,422 3.618,423 2.336,424 1.414,425 1.844,427 2.972,428 1.228,429 2.219,430 1.487,431 3.571,432 2.109,433 1.144,434 1.191,436 2.487,437 1.098,438 2.091,439 1.487,440 3.477,441 1.78,442 0.747,443 0.902,445 1.693,446 0.76,447 1.38,448 0.584,449 3.071,450 1.074,451 0.162,452 0.19,454 0.389,455 0.133,456 1.379,457 0.579,458 2.898,459 1.063,460 0.15,461 0.176,463 0.354,464 0.122,465 0.925,466 0.415,467 2.654,468 0.711,469 -0.238,470 -0.253,472 -0.569,473 -0.218,474 15.695,475 0.49,476 1.096,477 0.034,478 35.5,479 1.109,480 15,481 0.469,482 20.5,483 0.641,484 32.458,485 1.014,486 37.105,487 0.562,488 30.226,489 0.945,490 7.522,491 0.235,492 7.467,493 0.233,494 0.261,495 0.051,496 0.191,501 0.734,502 1.699,503 0.689,504 1.161,505 0.566,506 1.095,507 0.95,508 0.901,509 0.728,510 0.689,511 0.494,512 0.78,513 0.676,514 1.251,515 0.964,516 1.239,517 0.661,518 1.286,519 0.836,520 0.948,521 0.892,522 0.915,523 0.839,524 0.873,525 1.162,526 0.925,527 0.907,528 0.83,529 1.162,530 0.926,531 1.187,532 1.024,533 1.501,534 1.303,535 1.26,536 1.225,537 1.546,538 1.146,539 0.937,540 1.041,541 2.067,542 1.026,543 2.137,544 0.689,545 0.945,546 0.592,547 2.484,548 0.724,549 9,550 0.248,551 4.444,552 2.625,553 2.044,554 0.986,555 0.73,556 0.306,557 0.386,558 0.269,559 15453,560 41785,561 1.895,562 51.5,564 32,567 2,572 1.738,573 1.73,574 3.798,575 0.208,582 103.917,583 1.575,584 3.195,585 4.029,586 4.271,587 4.332,588 4.332,589 3.156,590 3.875,591 4.976,592 4.055,593 2011.14,594 8.663,595 32488,600 398.93,601 1.703,602 4.885,603 0.273,604 0.009,605 0.097,606 0.06,607 0.051,608 0.024,609 0.02,610 0.01,611 0.014,612 0.009,613 0.566,614 0.5,615 0.63,616 0.656,617 174.085,618 -0.026,619 -0.346,620 0.019,621 -0.116,622 -0.04,623 -0.054,624 -0.049,625 0.323,626 0.058,627 0.246,628 0.104,629 0.177,630 0.142,631 -0.142,632 -0.1,633 -0.216,634 0.131,635 -0.267,636 0.038,637 -0.063,638 0.073,639 0.035,640 -0.013,641 0.097,642 -0.099,643 0.1,644 -0.012,645 0.095,646 -0.125,647 0.016,648 -0.055,649 -0.08,650 -0.265,651 -0.255,652 -0.123,653 -0.216,654 -0.117,655 -0.229,656 -0.061,657 -0.133,658 -0.171,659 -0.105,660 -0.394,661 0.278,662 -0.074,663 0.231,664 -0.305,665 0.123,666 2.279,667 5.159,668 0.375,669 36.672,670 0.998,671 1.136,672 -4.141,673 17.148,674 0.649,675 3.526,676 3.85,677 3.932,678 4.043,679 4.159,680 4.007,681 3.951,682 3.892,683 3.871,684 3.761,685 8.903,686 0.6,687 481.52,688 3.526,689 5.069,690 5.861,691 6.723,692 7.531,693 8.391,694 9.206,695 10.064,696 10.883,697 11.739,698 6.1,705 2,712 2,715 8,720 4,722 12,740 2,741 66,743 14,744 2,745 33,747 67,748 24,749 12,750 4,751 8,752 2,756 2,757 2,758 2,772 14,773 10,777 2,782 2,786 2,793 34,794 4,795 2,796 8,797 2,802 4,803 2,807 2,808 1,809 2,829 2,843 2,859 2,864 4,865 2,868 32,876 6,877 2,883 2,892 2,893 3,896 2,901 18.5,902 12.786,903 7,904 3.967,907 1.708,908 1.251,909 0.904,910 9.833,911 8.515,912 3.738,913 4.248,914 4.6,915 4.947,916 5.343,917 5.127,918 5.111,919 5.221,920 5.157,921 5.058,922 0.9,923 44,924 11.869,926 4.836,927 0.026,929 7.788,931 22.672,933 17.927,936 2.288,937 73.222,941 376.675,942 144.811,943 36.022,944 78.297,945 50.29,948 144.811,949 505.262,950 36.022,951 33.586,952 48.656,953 75.81,954 59.699,955 13.372,957 376.675,958 78.297,959 376.675,960 180.833,961 50.29,962 78.297,964 376.675,965 50.29,968 48.656,969 132.177,970 78.297,972 376.675,973 86.311,974 223.109,977 376.675,978 35.416,979 109.395,980 36.022,981 128.587,982 376.675,983 86.311,984 223.109,986 0.589,987 0.314,988 0.145,989 0.078,990 18,991 10,992 0.164,993 11,995 1,996 4.307,997 255.333,999 12,1000 124,1005 26.46,1006 11.892,1007 9.315,1009 86.311,1010 15.474,1015 3.581,1017 36.022,1018 686.095,1019 41,1024 24.318,1028 -1.224,1031 65.847,1032 74.943,1034 0.26,1035 0.529,1036 0.667,1037 0.707,1038 0.717,1039 0.717,1040 4.99,1041 1.438,1042 5.911,1043 3.777,1044 4.533,1045 4.934,1046 2.343,1047 6.725,1048 4.412,1049 6.208,1050 1.414,1051 7.494,1052 3.702,1053 4.443,1054 4.844,1055 1.404,1056 8.015,1057 4.186,1058 7.527,1059 1.414,1060 9.192,1061 2.976,1062 6.232,1063 7.006,1064 2.456,1065 10.888,1066 5.978,1067 8.875,1068 1.144,1069 10.956,1070 2.972,1071 6.889,1072 7.61,1073 1.94,1074 12.902,1075 6.491,1076 10.25,1077 0.747,1078 12.76,1079 2.487,1080 8.252,1081 9.352,1082 2.7,1083 15.418,1084 7.838,1085 11.641,1086 0.162,1087 14.588,1088 1.693,1089 9.199,1090 10.261,1091 2.388,1092 17.672,1093 8.653,1094 13.045,1095 0.15,1096 16.432,1097 0.389,1098 10.42,1099 11.826,1100 3.001,1101 20.096,1102 9.831,1103 3.231,1104 -0.238,1105 18.288,1106 0.354,1107 11.484,1108 12.893,1109 2.827,1110 22.438,1111 10.778,1112 3.23,1113 11.099,1114 20.152,1115 -0.569,1116 12.656,1117 14.365,1118 3.341,1119 24.84,1120 11.887,1121 2.718,1122 11.099,1123 22.023,1124 3.798,1125 13.771,1126 15.525,1127 3.271,1128 27.218,1129 12.895,1130 2.694,1131 8.332,1132 23.898,1133 3.798,1134 14.93,1135 16.943,1136 3.711,1137 29.618,1138 13.976,1139 2.679,1140 8.331,1141 25.777,1142 3.336,1143 16.068,1144 18.162,1145 3.72,1146 32.011,1147 15.014,1148 1.645,1149 7.928,1150 27.66,1151 3.136,1152 17.226,1153 19.547,1154 4.104,1155 34.412,1156 16.086,1157 1.458,1158 3.899,1159 29.546,1160 3.13,1161 18.377,1162 20.804,1163 4.173,1164 36.812,1165 17.139,1166 15407,1167 25474,1168 20.455,1169 42.83,1170 49.24,1171 50.701,1172 50.242,1173 48.564,1174 48.247,1175 59.012,1176 10.253,1177 138.073,1178 45.189,1179 5.289,1180 5.824,1181 6.444,1182 5.195,1183 5.231,1184 6.798,1185 2.318,1186 17.691,1187 4.955,1188 21.395,1189 1.492,1190 1.536,1191 1.522,1192 1.472,1193 1.462,1194 1.788,1195 0.311,1196 4.184,1197 1.369,1198 4.001,1199 4.053,1200 4.039,1201 3.906,1202 7.499,1203 3.9,1204 3.95,1205 3.998,1206 4.008,1207 3.87,1208 7.353,1209 3.863,1210 3.787,1211 3.835,1212 3.742,1213 3.593,1214 4.943,1215 3.61,1216 3.745,1217 3.808,1218 3.664,1219 3.547,1220 4.922,1221 3.557,1222 3.619,1223 3.667,1224 3.558,1225 3.352,1226 4.4,1227 3.396,1228 3.326,1229 3.423,1230 3.292,1231 3.089,1232 4.372,1233 3.087,1234 3.107,1235 3.167,1236 3.291,1237 2.921,1238 4.32,1239 2.914,1240 2.984,1241 3.062,1242 3.156,1243 2.851,1244 4.314,1245 2.827,1246 0.131,1247 0.116,1248 0.205,1249 0.126,1250 0.098,1251 4.313,1252 0.115,1253 3.824,1254 0.038,1255 6.758,1256 0.336,1257 4.145,1258 0.09,1259 3.231,1260 3.798,1261 1.26,1262 11.099,1263 2.955,1264 1.933,1265 1.901,1266 2.066,1267 2.089,1268 1.35,1269 2.089,1270 1.931,1271 1.9,1272 2.063,1273 2.08,1274 1.347,1275 2.082,1276 1.732,1277 1.665,1278 1.919,1279 1.914,1280 1.073,1281 1.921,1282 1.71,1283 1.636,1284 1.91,1285 1.889,1286 1.068,1287 1.905,1288 1.495,1289 1.447,1290 1.693,1291 1.785,1292 0.831,1293 1.754,1294 1.297,1295 1.205,1296 1.617,1297 1.576,1298 0.807,1299 1.592,1300 1.077,1301 1.024,1302 1.417,1303 1.333,1304 0.512,1305 1.339,1306 1.015,1307 0.94,1308 1.417,1309 1.239,1310 0.512,1311 1.308,1312 4.205,1314 5.525,1316 7.013,1318 8.571,1320 10.162,1322 8.256,1323 12.499,1328 3.619,1329 5.423,1335 1.276,1340 39.599,1341 103.917,1342 210.891,1343 265.91,1344 281.91,1345 285.91,1346 285.91,1347 100.896,1348 6.808,1349 58.2,1350 58.2,1351 12,1352 12.3,1353 3.907,1354 3.17,1355 77.543,1356 174,1357 138,1358 0.21,1359 257.543,1360 450.76,1361 620.166,1362 8770,1363 3,1364 23.778,1365 0.743,1366 0.655,1367 24.778,1368 20.946,1369 14.99,1370 0.454,1371 0.357,1372 10.897,1373 13.86,1374 10.432,1375 8.8,1376 15.567,1377 11.775,1378 14.519,1379 0.316,1380 0.232,1381 15.261,1382 10.691,1383 10.205,1384 0.204,1385 0.127,1386 10.965,1387 6.372,1388 7.39,1389 0.132,1390 0.073,1391 7.879,1392 4.086,1393 5.566,1394 0.088,1395 0.045,1396 6.147,1397 2.856,1398 0.347,1399 100.059,1400 0.221,1401 30.975,1402 0.53,1403 158,1404 419.209,1405 201.128,1406 467.644,1407 597.9,1408 430,1409 175,1410 373.759,1411 213.036,1412 403.529,1413 576.54,1414 374,1415 8.262}
{0 CHEMBL1669482,1 1.215,2 11.833,3 3.841,4 14.755,5 99.636,6 6.836,7 0.815,8 3.906,9 4.031,10 3.429,11 3.53,12 4.898,13 3.476,14 4.433,15 4.61,16 3.734,17 3.931,18 5.338,19 3.848,20 4.719,21 4.952,22 3.744,23 4.071,24 5.53,25 3.939,26 4.737,27 5,28 3.521,29 3.966,30 5.475,31 3.792,32 4.637,33 4.923,34 3.322,35 3.81,36 5.31,37 3.622,38 4.481,39 4.756,40 3.181,41 3.682,42 5.149,43 3.489,44 4.417,45 4.702,46 3.154,47 3.602,48 5.094,49 3.422,50 4.297,51 4.564,52 3.137,53 3.543,54 5.035,55 3.378,56 0.049,57 0.619,58 10.039,59 4.277,60 8.402,61 6.011,62 0.123,63 1.055,64 17.894,65 7.028,66 13.529,67 10.014,68 0.146,69 1.347,70 24.656,71 10.124,72 20.149,73 14.469,74 0.155,75 1.354,76 25.651,77 10.385,78 21.797,79 14.936,80 0.181,81 1.223,82 23.621,83 9.38,84 18.812,85 13.534,86 0.106,87 1.023,88 19.886,89 8.345,90 14.859,91 11.971,92 0.114,93 0.969,94 18.846,95 7.613,96 14.5,97 10.985,98 0.091,99 0.858,100 16.437,101 6.818,102 13.749,103 9.785,105 36,106 0.206,107 0.447,108 0.607,109 0.692,110 0.722,111 0.736,112 3.227,113 0.982,114 -5.32,115 -5.21,116 -4.87,121 47.8,123 2,127 2,144 10,145 4,147 4,176 15,187 16,189 6,200 10,203 6,214 6,216 4,227 8,229 2,230 1,239 8,251 6,253 4,264 2,266 4,277 4,279 4,281 760,282 16.861,283 16.861,284 16.861,285 16.861,286 16.861,287 14.328,288 9.487,289 10.29,290 17.076,291 13.392,292 13.392,293 13.392,294 13.392,295 13.392,296 9.651,297 5,298 4.94,299 13.74,300 4.309,301 2.881,302 1.94,303 1.435,304 1.261,305 1.174,306 3.938,310 1,311 1,312 1,313 638,314 2.646,318 253.736,322 215.076,325 1.694,326 5.866,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 49,338 284,339 4.406,340 2.948,341 6.183,342 3.909,343 2.925,344 4.336,346 9.226,347 2.884,348 4.405,349 2.941,350 6.183,351 3.906,352 2.921,353 4.336,355 9.225,356 2.882,357 3.662,358 2.438,359 5.267,360 3.273,361 2.333,362 3.065,364 6.705,365 2.187,366 3.632,367 2.376,368 5.247,369 3.196,370 2.265,371 3.046,373 6.65,374 2.101,375 3.118,376 1.618,377 4.416,378 2.614,379 1.618,380 2.427,382 4.374,383 1.612,384 3.118,385 1.618,386 4.414,387 2.614,388 1.618,389 2.427,391 4.367,392 1.612,393 2.913,394 1.513,395 3.669,396 2.503,397 1.51,398 2.103,400 3.169,401 1.499,402 2.899,403 1.423,404 3.619,405 2.411,406 1.414,407 2.091,409 3.017,410 1.408,411 2.522,412 1.327,413 3.561,414 2.311,415 1.325,416 1.524,418 2.865,419 1.305,420 2.205,421 0.783,422 3.201,423 1.741,424 0.755,425 1.071,427 1.722,428 0.743,429 2.158,430 0.693,431 3.155,432 1.671,433 0.683,434 1.002,436 1.575,437 0.674,438 1.621,439 0.448,440 2.956,441 1.394,442 0.418,443 0.491,445 0.973,446 0.407,447 1.139,448 -0.101,449 2.485,450 0.767,451 -0.207,452 -0.26,454 -0.508,455 -0.201,456 0.906,457 -0.479,458 2.266,459 0.494,460 -0.497,461 -0.671,463 -1.148,464 -0.492,465 0.882,466 -0.618,467 2.143,468 0.357,469 -0.618,470 -0.927,472 -1.593,473 -0.6,474 11.8,475 0.492,476 0.376,477 0.016,478 33,479 1.375,480 18,481 0.75,482 15,483 0.625,484 16.57,485 0.69,486 24.2,487 0.526,488 20.507,489 0.854,490 6.465,491 0.269,492 5.418,493 0.226,496 0.237,501 0.991,502 1.235,503 0.857,504 1.008,505 0.841,506 0.941,507 1.664,508 1.047,509 1.067,510 0.959,511 0.955,512 0.975,513 1.152,514 1.04,515 1.03,516 1.014,517 0.952,518 1.015,519 1.159,520 1.105,521 1.1,522 1.092,523 1.116,524 1.093,525 1.183,526 0.891,527 1.048,528 0.954,529 1.078,530 0.986,531 0.834,532 1.094,533 1.048,534 1.105,535 1.009,536 1.091,537 1.044,538 0.969,539 0.962,540 0.952,541 0.891,542 0.952,543 0.895,544 1.042,545 0.969,546 1.015,547 0.996,548 1,549 3.5,550 0.058,551 2,552 0.75,553 1.111,554 0.236,555 0.242,556 0.111,557 0.106,558 0.134,559 8135,560 15693,561 2.213,562 47.8,564 14,566 4,569 4,572 1.658,573 2.182,574 3.537,575 -0.905,577 1,582 55.869,583 1.215,584 2.643,585 3.584,586 4.089,587 4.263,588 4.35,589 2.918,590 3.585,591 4.563,592 3.678,593 1015.17,594 7.814,595 12720.6,597 1,599 1,600 254.084,601 0.811,602 4.56,603 0.13,604 0.003,605 0.056,606 0.021,607 0.043,608 0.011,609 0.013,610 0.006,611 0.006,612 0.007,613 0.297,614 0.5,615 1,617 117.482,618 0.13,619 -0.161,620 0.079,621 -0.039,622 0.11,623 0.007,624 -0.211,625 0.044,626 -0.098,627 -0.014,628 -0.026,629 -0.043,630 -0.074,631 -0.036,632 -0.056,633 -0.044,634 0.002,635 -0.048,636 -0.073,637 -0.124,638 -0.113,639 -0.125,640 -0.139,641 -0.122,642 -0.006,643 0.091,644 -0.046,645 0.01,646 -0.132,647 -0.015,648 0.018,649 -0.152,650 -0.067,651 -0.12,652 -0.11,653 -0.102,654 0.004,655 -0.005,656 0.035,657 0.021,658 0.034,659 0.028,660 0.043,661 -0.082,662 0.014,663 -0.035,664 -0.017,665 -0.016,666 0.432,667 0.299,668 0.833,669 20.278,670 0.979,671 1.112,672 4.095,673 16.766,674 0.688,675 3.332,676 3.611,677 3.871,678 4.111,679 4.357,680 4.29,681 4.344,682 4.394,683 4.443,684 4.263,685 6.966,686 0.637,687 314.46,688 3.332,689 4.844,690 5.68,691 6.532,692 7.381,693 8.237,694 9.089,695 9.946,696 10.8,697 11.657,698 4.3,708 2,714 4,715 14,721 2,722 22,741 46,743 22,744 2,745 27,747 49,748 22,749 18,750 4,751 8,756 4,757 6,770 2,772 18,773 4,790 1,793 22,796 2,802 2,803 2,808 0.5,822 2,829 4,833 2,859 2,868 24,876 4,901 11,902 8.167,903 5.306,904 3.014,907 4.419,908 1.598,909 1.04,910 4.413,911 11.805,912 3.664,913 4.304,914 4.945,915 5.565,916 6.179,917 6.377,918 6.708,919 7.035,920 7.332,921 6.769,922 0.875,923 35,924 8.859,926 3.693,927 0.026,929 7.361,931 17.678,933 14.736,936 1.861,937 44.667,938 0.001,940 1,941 258.964,942 150.524,943 3.798,948 150.524,949 258.964,950 3.798,952 9.28,953 94.762,954 50.883,955 46.482,957 211.88,959 258.964,960 154.323,964 211.88,965 47.084,968 45.47,969 105.054,970 3.798,972 258.964,973 3.798,974 150.524,977 258.964,978 19.572,979 134.75,982 258.964,983 3.798,984 150.524,986 0.567,987 0.33,988 0.183,989 0.103,990 18,991 6,992 0.102,993 5,994 2,995 1.2,996 3.915,997 187.549,998 0.2,999 20,1000 86.039,1005 15.132,1006 7,1007 3.586,1008 5.23,1010 30.335,1016 4.598,1018 413.287,1019 38,1031 45.04,1032 51.149,1034 0.22,1035 0.478,1036 0.649,1037 0.74,1038 0.772,1039 0.787,1040 4.848,1041 1.414,1042 5.617,1043 3.169,1044 4.29,1045 4.99,1047 6.358,1048 4.242,1049 6.046,1050 1.325,1051 7.12,1052 3.017,1053 3.611,1054 4.691,1056 7.081,1057 3.519,1058 7.338,1059 0.755,1060 8.724,1061 2.865,1062 5.808,1063 7.276,1065 10.169,1066 5.711,1067 8.671,1068 0.683,1069 10.389,1070 1.722,1071 5.994,1072 7.867,1074 11.755,1075 5.869,1076 10.038,1077 0.418,1078 12.094,1079 1.575,1080 7.591,1081 9.856,1083 14.308,1084 7.458,1085 11.43,1086 -0.207,1087 13.828,1088 0.973,1089 8.215,1090 10.891,1092 16.251,1093 8.069,1094 12.841,1095 -0.497,1096 15.581,1097 -0.508,1098 9.532,1099 12.605,1101 18.605,1102 9.375,1103 2.925,1104 -0.618,1105 17.349,1106 -1.148,1107 10.38,1108 13.864,1110 20.703,1111 10.217,1112 2.921,1113 9.226,1114 19.127,1115 -1.593,1116 11.563,1117 15.447,1119 22.979,1120 11.388,1121 2.333,1122 9.225,1123 20.913,1124 4.336,1125 12.525,1126 16.815,1128 25.145,1129 12.343,1130 2.265,1131 6.705,1132 22.706,1133 4.336,1134 13.646,1135 18.337,1137 27.389,1138 13.453,1139 1.618,1140 6.65,1141 24.504,1142 3.065,1143 14.664,1144 19.757,1146 29.586,1147 14.463,1148 1.618,1149 4.374,1150 26.305,1151 3.046,1152 15.757,1153 21.25,1155 31.817,1156 15.544,1157 1.51,1158 4.367,1159 28.11,1160 2.427,1161 16.801,1162 22.694,1164 34.027,1165 16.579,1166 7426,1167 10392,1168 19.068,1169 31.625,1170 39.54,1171 39.539,1172 39.742,1173 39.619,1174 39.57,1175 55.837,1177 107.734,1178 38.627,1179 5.3,1180 4.948,1181 5.87,1182 4.946,1183 4.925,1184 7.336,1186 15.536,1187 4.884,1189 1.464,1190 1.464,1191 1.472,1192 1.467,1193 1.466,1194 2.068,1196 3.99,1197 1.431,1198 4.124,1199 4.16,1200 4.071,1201 4.046,1202 4.939,1203 4.048,1204 4.076,1205 4.108,1206 4.029,1207 4.007,1208 4.904,1209 4.008,1210 3.708,1211 3.768,1212 3.584,1213 3.574,1214 4.408,1215 3.567,1216 3.547,1217 3.61,1218 3.452,1219 3.39,1220 4.372,1221 3.397,1222 3.352,1223 3.415,1224 3.211,1225 3.233,1226 3.984,1227 3.221,1228 3.098,1229 3.16,1230 2.967,1231 2.988,1232 3.875,1233 2.976,1234 3.037,1235 3.093,1236 2.916,1237 2.938,1238 3.819,1239 2.927,1240 2.933,1241 3.004,1242 2.768,1243 2.808,1244 3.555,1245 2.789,1246 0.163,1247 0.109,1248 0.229,1249 0.145,1250 0.108,1251 4.406,1252 0.161,1253 2.948,1255 6.183,1256 0.342,1257 3.909,1258 0.107,1259 2.925,1260 4.336,1262 9.226,1263 2.884,1264 2.075,1265 2.047,1266 2.169,1267 2.178,1268 1.368,1269 2.178,1270 2.064,1271 2.038,1272 2.152,1273 2.157,1274 1.283,1275 2.157,1276 1.71,1277 1.649,1278 1.934,1279 1.868,1280 1.191,1281 1.893,1282 1.516,1283 1.457,1284 1.703,1285 1.701,1286 0.87,1287 1.708,1288 1.359,1289 1.303,1290 1.573,1291 1.522,1292 0.644,1293 1.546,1294 1.118,1295 1.06,1296 1.387,1297 1.281,1298 0.524,1299 1.32,1300 1.053,1301 1.002,1302 1.281,1303 1.199,1304 0.362,1305 1.231,1306 0.964,1307 0.898,1308 1.243,1309 1.135,1310 0.333,1311 1.177,1312 4.007,1314 5.293,1316 6.79,1318 8.384,1320 10.025,1328 4.504,1340 29.311,1341 55.869,1342 121.562,1343 164.865,1344 188.084,1345 196.084,1346 200.084,1347 24.389,1348 7.386,1349 7.76,1350 7.76,1351 24,1352 12.21,1353 4.524,1354 3.585,1355 34.296,1356 104,1357 76,1358 0.159,1359 179.47,1360 294.36,1361 429.668,1362 18720,1364 16.192,1365 0.675,1366 0.58,1367 16.192,1368 13.911,1369 11.882,1370 0.44,1371 0.327,1372 8.776,1373 11.676,1374 8.602,1375 7.172,1376 11.882,1377 8.838,1378 10.252,1379 0.285,1380 0.183,1381 10.252,1382 6.57,1383 8.771,1384 0.187,1385 0.102,1386 8.771,1387 4.809,1388 7.332,1389 0.122,1390 0.057,1391 7.332,1392 3.447,1393 6.244,1394 0.081,1395 0.033,1396 6.244,1397 2.526,1398 0.261,1399 72.518,1400 0.229,1401 24.164,1402 0.407,1403 126,1404 242.666,1405 130.163,1406 250.461,1407 361.36,1408 238,1409 146,1410 280.507,1411 151.329,1412 290.597,1413 420.78,1414 276,1415 4.444}
{0 CHEMBL1669483,1 1.205,2 12.64,3 4.297,4 18.468,5 104.237,6 6.704,7 0.786,8 3.962,9 4.09,10 3.466,11 3.58,12 4.936,13 3.523,14 4.498,15 4.68,16 3.765,17 3.982,18 5.382,19 3.892,20 4.791,21 5.031,22 3.776,23 4.123,24 5.578,25 3.983,26 4.807,27 5.076,28 3.561,29 4.023,30 5.525,31 3.843,32 4.714,33 5.004,34 3.37,35 3.874,36 5.368,37 3.681,38 4.574,39 4.858,40 3.226,41 3.765,42 5.217,43 3.566,44 4.497,45 4.775,46 3.18,47 3.696,48 5.155,49 3.497,50 4.438,51 4.728,52 3.155,53 3.61,54 5.106,55 3.427,56 0.054,57 0.661,58 10.934,59 4.641,60 8.874,61 6.564,62 0.13,63 1.125,64 19.473,65 7.675,66 14.354,67 11.017,68 0.156,69 1.439,70 26.742,71 10.981,72 21.29,73 15.771,74 0.164,75 1.44,76 27.59,77 11.185,78 22.637,79 16.152,80 0.163,81 1.302,82 25.429,83 10.09,84 19.219,85 14.647,86 0.156,87 1.124,88 21.961,89 9.062,90 15.659,91 13.032,92 0.097,93 1.025,94 20.124,95 8.634,96 14.686,97 12.378,98 0.116,99 0.981,100 19.214,101 7.733,102 14.762,103 11.206,105 37,106 0.202,107 0.446,108 0.609,109 0.707,110 0.734,111 0.748,112 3.265,113 1,114 -5.54,115 -5.41,116 -5.05,121 46.9,123 3,127 2,144 10,145 4,147 4,176 16,187 17,189 6,200 10,203 6,214 6,216 6,227 8,229 2,239 12,242 1,251 10,264 6,266 4,277 2,279 4,281 876,282 17.568,283 17.568,284 17.568,285 17.568,286 17.568,287 15.035,288 9.487,289 10.79,290 17.783,291 13.892,292 13.892,293 13.892,294 13.892,295 13.892,296 10.151,297 5,298 5.19,299 14.24,300 4.41,301 2.949,302 1.974,303 1.388,304 1.224,305 1.143,306 3.976,311 1,312 1,313 708,314 2.828,318 274.843,322 232.834,325 1.843,326 6.083,328 1,329 0.75,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.86,337 51,338 316,339 4.406,340 2.945,341 6.183,342 3.908,343 2.924,344 4.336,346 9.226,347 2.883,348 4.406,349 2.943,350 6.183,351 3.907,352 2.922,353 4.336,355 9.225,356 2.882,357 3.655,358 2.426,359 5.261,360 3.261,361 2.321,362 3.059,364 6.687,365 2.177,366 3.641,367 2.393,368 5.254,369 3.215,370 2.283,371 3.052,373 6.669,374 2.122,375 3.118,376 1.618,377 4.415,378 2.614,379 1.618,380 2.427,382 4.373,383 1.612,384 3.118,385 1.618,386 4.414,387 2.614,388 1.618,389 2.427,391 4.369,392 1.612,393 2.914,394 1.618,395 3.733,396 2.608,397 1.618,398 2.102,400 3.359,401 1.599,402 2.901,403 1.43,404 3.622,405 2.418,406 1.421,407 2.093,409 3.025,410 1.416,411 2.651,412 1.389,413 3.598,414 2.375,415 1.382,416 1.661,418 2.965,419 1.37,420 2.224,421 0.912,422 3.249,423 1.874,424 0.891,425 1.118,427 1.964,428 0.875,429 2.178,430 0.717,431 3.166,432 1.689,433 0.702,434 1.027,436 1.613,437 0.692,438 1.894,439 0.618,440 3.078,441 1.604,442 0.618,443 0.797,445 1.417,446 0.608,447 1.288,448 0.139,449 2.664,450 1.023,451 0.052,452 0.061,454 0.124,455 0.05,456 1.029,457 -0.285,458 2.325,459 0.631,460 -0.353,461 -0.458,463 -0.838,464 -0.347,465 0.882,466 -0.618,467 2.213,468 0.372,469 -0.618,470 -0.815,472 -1.393,473 -0.6,474 12.3,475 0.492,476 0.376,477 0.015,478 33.5,479 1.34,480 18,481 0.72,482 15.5,483 0.62,484 18.219,485 0.729,486 25.5,487 0.52,488 20.748,489 0.83,490 6.465,491 0.259,492 5.918,493 0.237,496 0.228,501 0.996,502 1.245,503 0.882,504 1.028,505 0.835,506 0.963,507 1.642,508 1.067,509 1.082,510 0.985,511 0.94,512 0.999,513 1.131,514 1.032,515 1.017,516 1.006,517 0.924,518 1.006,519 1.139,520 1.093,521 1.083,522 1.079,523 1.081,524 1.078,525 1.254,526 0.954,527 1.034,528 0.962,529 1.05,530 0.982,531 0.979,532 0.877,533 1.058,534 0.989,535 1.062,536 1.02,537 0.638,538 1.114,539 1.011,540 1.117,541 0.973,542 1.09,543 1.056,544 0.956,545 0.941,546 0.93,547 0.892,548 0.929,549 3.5,550 0.107,551 2,552 0.75,553 1.111,554 0.292,555 0.16,556 0.174,557 0.082,558 0.082,559 9384,560 17802,561 2.204,562 49,563 2,564 14,566 4,569 4,572 1.668,573 2.174,574 3.622,575 -0.909,577 1,582 59.04,583 1.205,584 2.666,585 3.641,586 4.227,587 4.39,588 4.472,589 3.044,590 3.684,591 4.622,592 3.779,593 1133.66,594 7.925,595 14962.6,597 1,599 1,600 275.121,601 0.795,602 4.619,603 0.125,604 0.006,605 0.054,606 0.021,607 0.041,608 0.013,609 0.008,610 0.01,611 0.005,612 0.005,613 0.287,614 0.5,615 0.88,617 125.067,618 0.134,619 -0.154,620 0.078,621 -0.036,622 0.135,623 0.008,624 -0.195,625 0.028,626 -0.097,627 -0.025,628 0.001,629 -0.05,630 -0.057,631 -0.028,632 -0.038,633 -0.03,634 0.033,635 -0.033,636 -0.06,637 -0.113,638 -0.097,639 -0.111,640 -0.109,641 -0.107,642 -0.096,643 0.022,644 -0.039,645 -0.002,646 -0.117,647 -0.014,648 0.004,649 0.084,650 -0.073,651 -0.015,652 -0.165,653 -0.042,654 0.082,655 -0.186,656 -0.04,657 -0.126,658 -0.079,659 -0.096,660 0.015,661 0.008,662 0.052,663 0.038,664 0.044,665 0.045,666 0.41,667 0.311,668 0.8,669 22.208,670 0.978,671 1.114,672 4.309,673 18.571,674 0.681,675 3.367,676 3.638,677 3.892,678 4.127,679 4.369,680 4.304,681 4.344,682 4.394,683 4.419,684 4.174,685 7.459,686 0.629,687 328.49,688 3.367,689 4.875,690 5.707,691 6.555,692 7.401,693 8.253,694 9.103,695 9.958,696 10.81,697 11.665,698 4.1,708 2,714 4,715 14,721 2,722 22,741 49,743 22,744 2,745 28,747 52,748 23,749 18,750 4,751 8,756 4,757 6,770 3,772 18,773 5,790 1,793 24,796 2,802 2,803 2,808 0.5,822 2,829 4,833 2,859 2,868 25,876 5,901 11.5,902 8.667,903 5.556,904 3.264,907 4.382,908 1.59,909 1.031,910 4.916,911 11.81,912 3.689,913 4.317,914 4.952,915 5.568,916 6.182,917 6.379,918 6.704,919 7.027,920 7.309,921 6.632,922 1,923 36,924 9.238,926 3.835,927 0.026,929 7.347,931 18.495,933 15.403,936 1.847,937 46.167,938 0.001,939 1,940 1,941 282.506,942 153.059,943 3.798,948 153.059,949 282.506,950 3.798,952 11.815,953 94.762,954 50.883,955 46.482,957 235.422,959 282.506,960 156.857,964 235.422,965 47.084,968 48.005,969 105.054,970 3.798,972 282.506,973 3.798,974 153.059,977 282.506,978 22.107,979 134.75,982 282.506,983 3.798,984 153.059,986 0.565,987 0.326,988 0.181,989 0.102,990 18,991 6,992 0.115,993 6,994 2,995 1.2,996 4.042,997 195.288,998 0.2,999 20,1000 92.096,1005 16.075,1006 7.646,1007 3.984,1008 5.256,1010 30.419,1016 4.622,1018 439.364,1019 39,1031 47.923,1032 54.564,1034 0.215,1035 0.475,1036 0.648,1037 0.753,1038 0.782,1039 0.796,1040 4.871,1041 1.421,1042 5.638,1043 3.359,1044 4.317,1045 5.004,1047 6.372,1048 4.27,1049 6.062,1050 1.382,1051 7.136,1052 3.025,1053 3.611,1054 4.691,1056 7.081,1057 3.519,1058 7.35,1059 0.891,1060 8.735,1061 2.965,1062 5.826,1063 7.28,1065 10.173,1066 5.731,1067 8.68,1068 0.702,1069 10.397,1070 1.964,1071 5.994,1072 7.867,1074 11.755,1075 5.869,1076 10.044,1077 0.618,1078 12.1,1079 1.613,1080 7.601,1081 9.857,1083 14.308,1084 7.47,1085 11.434,1086 0.052,1087 13.831,1088 1.417,1089 8.215,1090 10.891,1092 16.251,1093 8.069,1094 12.844,1095 -0.353,1096 15.583,1097 0.124,1098 9.537,1099 12.605,1101 18.605,1102 9.38,1103 2.924,1104 -0.618,1105 17.35,1106 -0.838,1107 10.38,1108 13.864,1110 20.703,1111 10.217,1112 2.922,1113 9.226,1114 19.128,1115 -1.393,1116 11.566,1117 15.448,1119 22.979,1120 11.391,1121 2.321,1122 9.225,1123 20.914,1124 4.336,1125 12.525,1126 16.815,1128 25.145,1129 12.343,1130 2.283,1131 6.687,1132 22.706,1133 4.336,1134 13.647,1135 18.337,1137 27.389,1138 13.454,1139 1.618,1140 6.669,1141 24.504,1142 3.059,1143 14.664,1144 19.757,1146 29.586,1147 14.463,1148 1.618,1149 4.373,1150 26.305,1151 3.052,1152 15.757,1153 21.25,1155 31.817,1156 15.544,1157 1.618,1158 4.369,1159 28.111,1160 2.427,1161 16.801,1162 22.694,1164 34.027,1165 16.579,1166 8570,1167 11886,1168 19.761,1169 33.387,1170 40.782,1171 40.789,1172 40.925,1173 40.78,1174 40.739,1175 56.99,1177 110.028,1178 39.799,1179 5.32,1180 4.945,1181 5.952,1182 4.945,1183 4.924,1184 7.336,1186 15.535,1187 4.883,1189 1.456,1190 1.457,1191 1.462,1192 1.456,1193 1.455,1194 2.035,1196 3.93,1197 1.421,1198 4.122,1199 4.158,1200 4.069,1201 4.045,1202 4.938,1203 4.046,1204 4.079,1205 4.112,1206 4.032,1207 4.009,1208 4.906,1209 4.01,1210 3.73,1211 3.79,1212 3.597,1213 3.603,1214 4.403,1215 3.592,1216 3.576,1217 3.639,1218 3.476,1219 3.418,1220 4.38,1221 3.424,1222 3.411,1223 3.475,1224 3.281,1225 3.281,1226 4.036,1227 3.274,1228 3.162,1229 3.23,1230 3.007,1231 3.045,1232 3.884,1233 3.027,1234 3.05,1235 3.107,1236 2.93,1237 2.95,1238 3.843,1239 2.938,1240 2.997,1241 3.058,1242 2.848,1243 2.892,1244 3.634,1245 2.874,1246 0.157,1247 0.105,1248 0.221,1249 0.14,1250 0.104,1251 4.406,1252 0.155,1253 2.945,1255 6.183,1256 0.329,1257 3.908,1258 0.103,1259 2.924,1260 4.336,1262 9.226,1263 2.883,1264 2.073,1265 2.045,1266 2.168,1267 2.174,1268 1.385,1269 2.175,1270 2.066,1271 2.04,1272 2.155,1273 2.161,1274 1.292,1275 2.162,1276 1.739,1277 1.678,1278 1.97,1279 1.892,1280 1.222,1281 1.921,1282 1.549,1283 1.488,1284 1.75,1285 1.734,1286 0.975,1287 1.744,1288 1.406,1289 1.349,1290 1.609,1291 1.577,1292 0.699,1293 1.594,1294 1.191,1295 1.128,1296 1.468,1297 1.359,1298 0.58,1299 1.401,1300 1.065,1301 1.014,1302 1.297,1303 1.215,1304 0.417,1305 1.247,1306 1.022,1307 0.966,1308 1.265,1309 1.174,1310 0.345,1311 1.209,1312 4.043,1314 5.323,1316 6.812,1318 8.4,1320 10.036,1328 5.869,1340 30.838,1341 59.04,1342 130.624,1343 178.392,1344 207.121,1345 215.121,1346 219.121,1347 26.543,1348 7.428,1349 7.76,1350 7.76,1351 24,1352 12.219,1353 4.524,1354 3.585,1355 36.439,1356 116,1357 84,1358 0.15,1359 189.063,1360 311.66,1361 453.073,1362 20392,1364 16.899,1365 0.676,1366 0.585,1367 16.899,1368 14.618,1369 12.382,1370 0.442,1371 0.333,1372 9.276,1373 12.176,1374 9.092,1375 7.589,1376 12.382,1377 9.338,1378 10.605,1379 0.287,1380 0.187,1381 10.605,1382 6.924,1383 9.021,1384 0.188,1385 0.105,1386 9.021,1387 5.059,1388 7.508,1389 0.123,1390 0.059,1391 7.508,1392 3.624,1393 6.365,1394 0.082,1395 0.034,1396 6.365,1397 2.64,1398 0.249,1399 75.518,1400 0.225,1401 25.205,1402 0.377,1403 130,1404 246.666,1405 134.163,1406 254.622,1407 367.12,1408 242,1409 150,1410 284.507,1411 155.329,1412 294.759,1413 426.54,1414 280,1415 4.886}
{0 CHEMBL1669484,1 1.196,2 13.462,3 4.754,4 22.597,5 108.838,6 6.587,7 0.759,8 4.015,9 4.145,10 3.502,11 3.628,12 4.973,13 3.567,14 4.559,15 4.746,16 3.796,17 4.03,18 5.423,19 3.935,20 4.858,21 5.105,22 3.807,23 4.172,24 5.623,25 4.026,26 4.873,27 5.146,28 3.599,29 4.077,30 5.573,31 3.892,32 4.786,33 5.079,34 3.415,35 3.936,36 5.423,37 3.738,38 4.656,39 4.944,40 3.278,41 3.831,42 5.28,43 3.628,44 4.589,45 4.875,46 3.226,47 3.778,48 5.222,49 3.573,50 4.517,51 4.799,52 3.181,53 3.704,54 5.167,55 3.501,56 0.058,57 0.702,58 11.816,59 5.002,60 9.327,61 7.111,62 0.137,63 1.195,64 21.015,65 8.313,66 15.139,67 11.997,68 0.165,69 1.529,70 28.755,71 11.817,72 22.341,73 17.033,74 0.173,75 1.526,76 29.471,77 11.969,78 23.417,79 17.336,80 0.171,81 1.385,82 27.222,83 10.852,84 19.84,85 15.792,86 0.138,87 1.204,88 23.753,89 9.778,90 16.07,91 14.134,92 0.146,93 1.124,94 22.153,95 9.352,96 15.41,97 13.424,98 0.099,99 1.039,100 20.492,101 8.761,102 14.917,103 12.587,105 38,106 0.198,107 0.442,108 0.602,109 0.701,110 0.727,111 0.739,112 3.302,113 1.018,114 -5.75,115 -5.61,116 -5.23,121 46.2,123 4,127 2,144 10,145 4,147 4,176 17,187 18,189 6,200 11,203 6,214 6,216 6,227 8,229 4,239 12,251 14,254 1,264 10,277 6,279 4,281 992,282 18.275,283 18.275,284 18.275,285 18.275,286 18.275,287 15.742,288 9.487,289 11.29,290 18.49,291 14.392,292 14.392,293 14.392,294 14.392,295 14.392,296 10.651,297 5,298 5.44,299 14.74,300 4.505,301 3.03,302 2.062,303 1.462,304 1.308,305 1.231,306 4.013,311 1,312 1,313 782,314 3,318 296.016,322 250.631,325 1.964,326 6.253,328 1,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 53,338 350,339 4.406,340 2.945,341 6.183,342 3.908,343 2.923,344 4.336,346 9.226,347 2.883,348 4.406,349 2.944,350 6.183,351 3.907,352 2.923,353 4.336,355 9.226,356 2.883,357 3.651,358 2.419,359 5.258,360 3.254,361 2.314,362 3.057,364 6.681,365 2.171,366 3.645,367 2.402,368 5.256,369 3.226,370 2.292,371 3.054,373 6.675,374 2.134,375 3.118,376 1.712,377 4.415,378 2.701,379 1.711,380 2.427,382 4.372,383 1.691,384 3.118,385 1.618,386 4.415,387 2.614,388 1.618,389 2.427,391 4.37,392 1.612,393 2.916,394 1.618,395 3.793,396 2.614,397 1.618,398 2.101,400 3.519,401 1.612,402 2.903,403 1.439,404 3.624,405 2.427,406 1.43,407 2.095,409 3.036,410 1.425,411 2.736,412 1.408,413 3.609,414 2.394,415 1.399,416 1.749,418 2.992,419 1.391,420 2.272,421 1.095,422 3.341,423 2.076,424 1.091,425 1.224,427 2.337,428 1.074,429 2.189,430 0.746,431 3.176,432 1.712,433 0.725,434 1.046,436 1.657,437 0.715,438 2.076,439 0.676,440 3.131,441 1.657,442 0.67,443 0.949,445 1.539,446 0.661,447 1.504,448 0.377,449 2.828,450 1.318,451 0.339,452 0.383,454 0.77,455 0.331,456 1.129,457 -0.088,458 2.432,459 0.793,460 -0.183,461 -0.221,463 -0.437,464 -0.178,465 0.915,466 -0.431,467 2.258,468 0.532,469 -0.459,470 -0.601,472 -1.057,473 -0.454,474 12.8,475 0.492,476 0.376,477 0.014,478 34,479 1.308,480 18,481 0.692,482 16,483 0.615,484 19.902,485 0.765,486 26.8,487 0.515,488 20.977,489 0.807,490 6.465,491 0.249,492 6.418,493 0.247,496 0.219,501 1.001,502 1.253,503 0.905,504 1.046,505 0.832,506 0.984,507 1.623,508 1.085,509 1.095,510 1.009,511 0.929,512 1.021,513 1.113,514 1.026,515 1.008,516 1,517 0.901,518 0.998,519 1.122,520 1.083,521 1.069,522 1.068,523 1.053,524 1.066,525 1.227,526 0.951,527 1.023,528 0.959,529 1.018,530 0.976,531 1.063,532 0.944,533 1.044,534 0.996,535 1.033,536 1.014,537 0.796,538 0.897,539 1.025,540 1.003,541 1.031,542 1.022,543 0.645,544 1.1,545 0.992,546 1.094,547 0.976,548 1.067,549 3.5,550 0.066,551 2,552 0.75,553 1.111,554 0.292,555 0.201,556 0.111,557 0.131,558 0.063,559 10745,560 20063,561 2.196,562 50,563 4,564 14,566 4,569 4,572 1.678,573 2.167,574 3.704,575 -0.913,582 62.172,583 1.196,584 2.671,585 3.639,586 4.239,587 4.393,588 4.47,589 3.085,590 3.7,591 4.679,592 3.873,593 1258.73,594 8.033,595 17455.8,597 1,600 296.423,601 0.779,602 4.676,603 0.121,604 0.004,605 0.053,606 0.02,607 0.04,608 0.013,609 0.01,610 0.006,611 0.007,612 0.003,613 0.276,614 0.5,615 0.88,617 132.71,618 0.137,619 -0.148,620 0.077,621 -0.034,622 0.156,623 0.009,624 -0.182,625 0.013,626 -0.098,627 -0.034,628 0.022,629 -0.057,630 -0.044,631 -0.022,632 -0.024,633 -0.02,634 0.057,635 -0.021,636 -0.05,637 -0.105,638 -0.084,639 -0.099,640 -0.085,641 -0.095,642 -0.085,643 0.021,644 -0.032,646 -0.097,647 -0.01,648 -0.098,649 0.013,650 -0.063,651 -0.024,652 -0.149,653 -0.038,654 0.063,655 0.049,656 -0.05,657 -0.023,658 -0.137,659 -0.039,660 0.09,661 -0.169,662 -0.023,663 -0.106,664 -0.07,665 -0.077,666 0.395,667 0.32,668 0.769,669 24.473,670 0.977,671 1.115,672 4.521,673 20.436,674 0.676,675 3.401,676 3.664,677 3.912,678 4.143,679 4.382,680 4.317,681 4.357,682 4.394,683 4.419,684 4.143,685 7.949,686 0.622,687 342.52,688 3.401,689 4.905,690 5.733,691 6.578,692 7.42,693 8.27,694 9.117,695 9.97,696 10.82,697 11.673,698 3.8,708 2,714 4,715 14,721 2,722 22,741 52,743 22,744 2,745 29,747 55,748 24,749 18,750 4,751 8,756 4,757 6,770 4,772 18,773 6,793 26,796 2,802 2,803 2,808 0.5,822 2,829 4,833 2,859 2,868 26,876 6,901 12,902 9.167,903 5.806,904 3.514,907 4.347,908 1.582,909 1.024,910 5.44,911 11.816,912 3.714,913 4.331,914 4.959,915 5.572,916 6.184,917 6.38,918 6.705,919 7.024,920 7.303,921 6.587,922 0.889,923 37,924 9.616,926 3.978,927 0.026,929 7.333,931 19.311,933 16.07,936 1.833,937 47.667,939 1,940 1,941 306.049,942 155.594,943 3.798,948 155.594,949 306.049,950 3.798,952 14.35,953 94.762,954 50.883,955 46.482,957 258.964,959 306.049,960 159.392,964 258.964,965 47.084,968 50.539,969 105.054,970 3.798,972 306.049,973 3.798,974 155.594,977 306.049,978 24.641,979 134.75,982 306.049,983 3.798,984 155.594,986 0.562,987 0.323,988 0.179,989 0.101,990 18,991 6,992 0.127,993 7,994 2,995 1.2,996 4.167,997 203.128,998 0.2,999 20,1000 96.211,1005 17.021,1006 8.309,1007 4.419,1008 5.276,1010 30.487,1016 4.64,1018 465.44,1019 40,1031 50.807,1032 57.979,1034 0.21,1035 0.469,1036 0.638,1037 0.744,1038 0.771,1039 0.784,1040 4.894,1041 1.43,1042 5.659,1043 3.519,1044 4.344,1045 5.017,1047 6.385,1048 4.298,1049 6.078,1050 1.399,1051 7.152,1052 3.036,1053 3.611,1054 4.691,1056 7.081,1057 3.519,1058 7.362,1059 1.091,1060 8.746,1061 2.992,1062 5.844,1063 7.284,1065 10.177,1066 5.75,1067 8.688,1068 0.725,1069 10.404,1070 2.337,1071 5.994,1072 7.867,1074 11.755,1075 5.869,1076 10.05,1077 0.67,1078 12.105,1079 1.657,1080 7.611,1081 9.858,1083 14.309,1084 7.481,1085 11.438,1086 0.339,1087 13.835,1088 1.539,1089 8.215,1090 10.891,1092 16.251,1093 8.069,1094 12.847,1095 -0.183,1096 15.585,1097 0.77,1098 9.542,1099 12.606,1101 18.605,1102 9.386,1103 2.923,1104 -0.459,1105 17.351,1106 -0.437,1107 10.38,1108 13.864,1110 20.703,1111 10.217,1112 2.923,1113 9.226,1114 19.129,1115 -1.057,1116 11.568,1117 15.448,1119 22.979,1120 11.394,1121 2.314,1122 9.226,1123 20.914,1124 4.336,1125 12.525,1126 16.815,1128 25.145,1129 12.343,1130 2.292,1131 6.681,1132 22.707,1133 4.336,1134 13.648,1135 18.337,1137 27.389,1138 13.456,1139 1.711,1140 6.675,1141 24.504,1142 3.057,1143 14.664,1144 19.757,1146 29.586,1147 14.463,1148 1.618,1149 4.372,1150 26.306,1151 3.054,1152 15.757,1153 21.25,1155 31.817,1156 15.545,1157 1.618,1158 4.37,1159 28.111,1160 2.427,1161 16.801,1162 22.694,1164 34.027,1165 16.579,1166 9820,1167 13506,1168 20.455,1169 35.148,1170 42.02,1171 42.078,1172 42.287,1173 42.159,1174 42.107,1175 58.371,1177 112.798,1178 41.164,1179 5.334,1180 4.945,1181 6.008,1182 4.944,1183 4.923,1184 7.336,1186 15.535,1187 4.883,1189 1.449,1190 1.451,1191 1.458,1192 1.454,1193 1.452,1194 2.013,1196 3.89,1197 1.419,1198 4.121,1199 4.157,1200 4.068,1201 4.045,1202 4.938,1203 4.046,1204 4.081,1205 4.114,1206 4.033,1207 4.01,1208 4.906,1209 4.011,1210 3.748,1211 3.809,1212 3.608,1213 3.627,1214 4.4,1215 3.613,1216 3.602,1217 3.665,1218 3.495,1219 3.446,1220 4.385,1221 3.45,1222 3.456,1223 3.521,1224 3.334,1225 3.316,1226 4.08,1227 3.314,1228 3.238,1229 3.307,1230 3.071,1231 3.12,1232 3.895,1233 3.1,1234 3.068,1235 3.127,1236 2.943,1237 2.962,1238 3.855,1239 2.951,1240 3.024,1241 3.082,1242 2.892,1243 2.924,1244 3.709,1245 2.909,1246 0.152,1247 0.102,1248 0.213,1249 0.135,1250 0.101,1251 4.406,1252 0.15,1253 2.945,1255 6.183,1256 0.318,1257 3.908,1258 0.099,1259 2.923,1260 4.336,1262 9.226,1263 2.883,1264 2.072,1265 2.044,1266 2.166,1267 2.172,1268 1.4,1269 2.173,1270 2.068,1271 2.041,1272 2.157,1273 2.164,1274 1.301,1275 2.164,1276 1.761,1277 1.701,1278 1.996,1279 1.912,1280 1.242,1281 1.944,1282 1.582,1283 1.519,1284 1.796,1285 1.763,1286 1.057,1287 1.778,1288 1.443,1289 1.384,1290 1.641,1291 1.62,1292 0.774,1293 1.634,1294 1.267,1295 1.204,1296 1.525,1297 1.434,1298 0.621,1299 1.471,1300 1.084,1301 1.029,1302 1.342,1303 1.243,1304 0.503,1305 1.28,1306 1.043,1307 0.991,1308 1.276,1309 1.191,1310 0.36,1311 1.224,1312 4.078,1314 5.352,1316 6.834,1318 8.415,1320 10.047,1328 7.265,1340 32.364,1341 62.172,1342 138.881,1343 189.204,1344 220.423,1345 228.423,1346 232.423,1347 28.775,1348 7.469,1349 7.76,1350 7.76,1351 24,1352 12.229,1353 4.524,1354 3.585,1355 38.631,1356 129,1357 92,1358 0.142,1359 198.655,1360 328.96,1361 476.478,1362 22133,1364 17.606,1365 0.677,1366 0.589,1367 17.606,1368 15.326,1369 12.882,1370 0.444,1371 0.339,1372 9.776,1373 12.676,1374 9.582,1375 8.006,1376 12.882,1377 9.838,1378 10.959,1379 0.288,1380 0.192,1381 10.959,1382 7.277,1383 9.271,1384 0.189,1385 0.108,1386 9.271,1387 5.309,1388 7.685,1389 0.124,1390 0.061,1391 7.685,1392 3.8,1393 6.49,1394 0.082,1395 0.035,1396 6.49,1397 2.765,1398 0.238,1399 78.518,1400 0.221,1401 26.226,1402 0.353,1403 134,1404 250.666,1405 138.163,1406 258.784,1407 372.88,1408 246,1409 154,1410 288.507,1411 159.329,1412 298.92,1413 432.3,1414 284,1415 6.523}
{0 CHEMBL1669485,1 1.187,2 14.259,3 5.21,4 27.142,5 113.439,6 6.483,7 0.733,8 4.066,9 4.198,10 3.537,11 3.674,12 5.009,13 3.609,14 4.616,15 4.807,16 3.826,17 4.077,18 5.463,19 3.975,20 4.92,21 5.173,22 3.837,23 4.219,24 5.666,25 4.066,26 4.935,27 5.212,28 3.635,29 4.129,30 5.618,31 3.939,32 4.853,33 5.149,34 3.459,35 3.995,36 5.476,37 3.792,38 4.732,39 5.024,40 3.328,41 3.896,42 5.34,43 3.688,44 4.67,45 4.96,46 3.277,47 3.843,48 5.285,49 3.635,50 4.607,51 4.897,52 3.226,53 3.785,54 5.233,55 3.577,56 0.063,57 0.743,58 12.686,59 5.362,60 9.762,61 7.653,62 0.143,63 1.263,64 22.525,65 8.943,66 15.889,67 12.958,68 0.174,69 1.618,70 30.707,71 12.635,72 23.317,73 18.26,74 0.181,75 1.61,76 31.305,77 12.741,78 24.148,79 18.494,80 0.178,81 1.466,82 28.978,83 11.604,84 20.435,85 16.916,86 0.146,87 1.288,88 25.534,89 10.55,90 16.698,91 15.271,92 0.129,93 1.205,94 23.916,95 10.056,96 15.804,97 14.504,98 0.148,99 1.135,100 22.478,101 9.477,102 15.563,103 13.625,105 39,106 0.194,107 0.436,108 0.592,109 0.698,110 0.738,111 0.75,112 3.338,113 1.034,114 -5.96,115 -5.81,116 -5.41,121 45.5,123 5,127 2,144 10,145 4,147 4,176 18,187 19,189 6,200 12,203 6,214 7,216 6,227 8,229 4,239 12,241 2,251 14,264 14,267 1,277 10,281 1134,282 18.982,283 18.982,284 18.982,285 18.982,286 18.982,287 16.449,288 9.487,289 11.79,290 19.197,291 14.892,292 14.892,293 14.892,294 14.892,295 14.892,296 11.151,297 5,298 5.69,299 15.24,300 4.595,301 3.117,302 2.167,303 1.518,304 1.273,305 1.2,306 4.048,311 1,312 1,313 858,314 3.162,318 317.252,322 268.467,325 2.102,326 6.39,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 55,338 385,339 4.406,340 2.944,341 6.183,342 3.908,343 2.923,344 4.336,346 9.226,347 2.883,348 4.406,349 2.944,350 6.183,351 3.907,352 2.923,353 4.336,355 9.226,356 2.883,357 3.649,358 2.415,359 5.258,360 3.249,361 2.31,362 3.056,364 6.679,365 2.166,366 3.646,367 2.406,368 5.257,369 3.232,370 2.297,371 3.055,373 6.677,374 2.142,375 3.118,376 1.78,377 4.415,378 2.77,379 1.779,380 2.427,382 4.372,383 1.76,384 3.118,385 1.618,386 4.415,387 2.614,388 1.618,389 2.427,391 4.37,392 1.612,393 2.919,394 1.618,395 3.838,396 2.614,397 1.618,398 2.101,400 3.632,401 1.612,402 2.905,403 1.454,404 3.629,405 2.444,406 1.446,407 2.096,409 3.054,410 1.442,411 2.794,412 1.417,413 3.614,414 2.404,415 1.408,416 1.809,418 3.005,419 1.401,420 2.373,421 1.25,422 3.44,423 2.237,424 1.249,425 1.361,427 2.647,428 1.233,429 2.2,430 0.808,431 3.191,432 1.769,433 0.782,434 1.068,436 1.749,437 0.771,438 2.149,439 0.703,440 3.151,441 1.679,442 0.691,443 1.002,445 1.587,446 0.682,447 1.731,448 0.562,449 2.965,450 1.543,451 0.558,452 0.651,454 1.25,455 0.549,456 1.256,457 0.12,458 2.581,459 1.02,460 0.044,461 0.05,463 0.101,464 0.043,465 1.027,466 -0.256,467 2.309,468 0.659,469 -0.325,470 -0.407,472 -0.764,473 -0.319,474 13.3,475 0.493,476 0.376,477 0.014,478 34.5,479 1.278,480 18,481 0.667,482 16.5,483 0.611,484 21.616,485 0.801,486 28.1,487 0.511,488 21.194,489 0.785,490 6.465,491 0.239,492 6.918,493 0.256,496 0.211,501 1.007,502 1.262,503 0.926,504 1.064,505 0.83,506 1.004,507 1.606,508 1.101,509 1.108,510 1.03,511 0.92,512 1.041,513 1.097,514 1.02,515 1,516 0.994,517 0.882,518 0.993,519 1.107,520 1.075,521 1.058,522 1.058,523 1.029,524 1.056,525 1.204,526 0.949,527 1.013,528 0.956,529 0.992,530 0.971,531 1.04,532 0.941,533 1.031,534 0.99,535 0.999,536 1.006,537 0.891,538 0.962,539 1.014,540 1.01,541 1.005,542 1.017,543 0.806,544 0.887,545 1.008,546 0.985,547 1.036,548 1.003,549 3.5,550 0.049,551 2,552 0.75,553 1.111,554 0.292,555 0.201,556 0.142,557 0.082,558 0.103,559 12222,560 22480,561 2.189,562 50.9,563 6,564 14,566 4,569 4,572 1.687,573 2.16,574 3.78,575 -0.916,582 65.272,583 1.187,584 2.664,585 3.614,586 4.263,587 4.509,588 4.581,589 3.199,590 3.792,591 4.734,592 3.961,593 1390.44,594 8.138,595 20213.8,600 317.975,601 0.764,602 4.731,603 0.117,604 0.003,605 0.051,606 0.02,607 0.038,608 0.012,609 0.01,610 0.007,611 0.004,612 0.006,613 0.268,614 0.5,615 0.88,617 140.409,618 0.14,619 -0.142,620 0.075,621 -0.032,622 0.173,623 0.009,624 -0.172,626 -0.099,627 -0.043,628 0.039,629 -0.063,630 -0.033,631 -0.017,632 -0.013,633 -0.012,634 0.077,635 -0.011,636 -0.042,637 -0.098,638 -0.074,639 -0.089,640 -0.066,641 -0.084,642 -0.076,643 0.019,644 -0.026,645 0.002,646 -0.08,647 -0.008,648 -0.087,649 0.013,650 -0.054,651 -0.019,652 -0.128,653 -0.032,654 -0.044,655 -0.018,656 -0.042,657 -0.031,658 -0.125,659 -0.035,660 0.071,661 0.061,662 -0.034,663 -0.008,664 -0.13,665 -0.023,666 0.385,667 0.327,668 0.741,669 26.815,670 0.976,671 1.116,672 4.728,673 22.356,674 0.671,675 3.434,676 3.689,677 3.932,678 4.159,679 4.394,680 4.331,681 4.369,682 4.407,683 4.419,684 4.143,685 8.436,686 0.616,687 356.55,688 3.434,689 4.934,690 5.759,691 6.6,692 7.439,693 8.286,694 9.131,695 9.982,696 10.83,697 11.682,698 3.6,708 2,714 4,715 14,721 2,722 22,741 55,743 22,744 2,745 30,747 58,748 25,749 18,750 4,751 8,756 4,757 6,770 5,772 18,773 7,793 28,796 2,802 2,803 2,808 0.5,822 2,829 4,833 2,859 2,868 27,876 7,901 12.5,902 9.667,903 6.056,904 3.764,907 4.313,908 1.574,909 1.017,910 5.982,911 11.821,912 3.738,913 4.344,914 4.966,915 5.576,916 6.186,917 6.382,918 6.707,919 7.025,920 7.301,921 6.574,922 1,923 38,924 9.994,926 4.121,927 0.026,929 7.321,931 20.128,933 16.736,936 1.821,937 49.167,941 329.591,942 158.128,943 3.798,948 158.128,949 329.591,950 3.798,952 16.884,953 94.762,954 50.883,955 46.482,957 282.506,959 329.591,960 161.926,964 282.506,965 47.084,968 53.074,969 105.054,970 3.798,972 329.591,973 3.798,974 158.128,977 329.591,978 27.176,979 134.75,982 329.591,983 3.798,984 158.128,986 0.56,987 0.321,988 0.177,989 0.1,990 18,991 6,992 0.138,993 8,994 2,995 1.2,996 4.291,997 211.053,998 0.2,999 20,1000 102.382,1005 17.971,1006 8.988,1007 4.853,1008 5.291,1010 30.542,1016 4.653,1018 491.517,1019 41,1031 53.69,1032 61.394,1034 0.205,1035 0.461,1036 0.625,1037 0.737,1038 0.78,1039 0.792,1040 4.916,1041 1.446,1042 5.68,1043 3.632,1044 4.369,1045 5.03,1047 6.399,1048 4.324,1049 6.094,1050 1.408,1051 7.168,1052 3.054,1053 3.611,1054 4.691,1056 7.081,1057 3.519,1058 7.374,1059 1.249,1060 8.757,1061 3.005,1062 5.861,1063 7.288,1065 10.18,1066 5.769,1067 8.697,1068 0.782,1069 10.412,1070 2.647,1071 5.994,1072 7.867,1074 11.755,1075 5.869,1076 10.056,1077 0.691,1078 12.11,1079 1.749,1080 7.621,1081 9.859,1083 14.31,1084 7.492,1085 11.442,1086 0.558,1087 13.838,1088 1.587,1089 8.215,1090 10.891,1092 16.251,1093 8.069,1094 12.85,1095 0.044,1096 15.588,1097 1.25,1098 9.547,1099 12.606,1101 18.606,1102 9.392,1103 2.923,1104 -0.325,1105 17.353,1106 0.101,1107 10.38,1108 13.864,1110 20.703,1111 10.217,1112 2.923,1113 9.226,1114 19.129,1115 -0.764,1116 11.571,1117 15.448,1119 22.979,1120 11.397,1121 2.31,1122 9.226,1123 20.915,1124 4.336,1125 12.525,1126 16.815,1128 25.145,1129 12.343,1130 2.297,1131 6.679,1132 22.707,1133 4.336,1134 13.649,1135 18.337,1137 27.389,1138 13.457,1139 1.779,1140 6.677,1141 24.504,1142 3.056,1143 14.664,1144 19.757,1146 29.586,1147 14.463,1148 1.618,1149 4.372,1150 26.306,1151 3.055,1152 15.758,1153 21.25,1155 31.817,1156 15.546,1157 1.618,1158 4.37,1159 28.111,1160 2.427,1161 16.801,1162 22.694,1164 34.027,1165 16.579,1166 11180,1167 15256,1168 21.148,1169 36.91,1170 43.292,1171 43.331,1172 43.475,1173 43.343,1174 43.295,1175 59.549,1177 115.147,1178 42.354,1179 5.345,1180 4.944,1181 6.046,1182 4.944,1183 4.923,1184 7.336,1186 15.535,1187 4.883,1189 1.443,1190 1.444,1191 1.449,1192 1.445,1193 1.443,1194 1.985,1196 3.838,1197 1.412,1198 4.121,1199 4.157,1200 4.068,1201 4.045,1202 4.938,1203 4.046,1204 4.082,1205 4.115,1206 4.034,1207 4.01,1208 4.906,1209 4.012,1210 3.764,1211 3.825,1212 3.619,1213 3.646,1214 4.398,1215 3.63,1216 3.625,1217 3.688,1218 3.512,1219 3.474,1220 4.388,1221 3.474,1222 3.492,1223 3.557,1224 3.374,1225 3.345,1226 4.115,1227 3.346,1228 3.306,1229 3.374,1230 3.141,1231 3.185,1232 3.911,1233 3.167,1234 3.099,1235 3.166,1236 2.961,1237 2.985,1238 3.864,1239 2.972,1240 3.039,1241 3.096,1242 2.914,1243 2.938,1244 3.77,1245 2.926,1246 0.147,1247 0.098,1248 0.206,1249 0.13,1250 0.097,1251 4.406,1252 0.145,1253 2.944,1255 6.183,1256 0.308,1257 3.908,1258 0.096,1259 2.923,1260 4.336,1262 9.226,1263 2.883,1264 2.071,1265 2.043,1266 2.165,1267 2.171,1268 1.412,1269 2.172,1270 2.069,1271 2.042,1272 2.158,1273 2.166,1274 1.311,1275 2.166,1276 1.779,1277 1.719,1278 2.015,1279 1.929,1280 1.256,1281 1.961,1282 1.613,1283 1.55,1284 1.839,1285 1.789,1286 1.119,1287 1.809,1288 1.474,1289 1.414,1290 1.675,1291 1.656,1292 0.859,1293 1.669,1294 1.327,1295 1.266,1296 1.566,1297 1.495,1298 0.664,1299 1.526,1300 1.122,1301 1.06,1302 1.413,1303 1.297,1304 0.561,1305 1.34,1306 1.056,1307 1.004,1308 1.289,1309 1.205,1310 0.407,1311 1.238,1312 4.111,1314 5.38,1316 6.855,1318 8.431,1320 10.058,1328 8.68,1340 33.891,1341 65.272,1342 146.54,1343 198.781,1344 234.465,1345 247.975,1346 251.975,1347 31.093,1348 7.508,1349 7.76,1350 7.76,1351 24,1352 12.239,1353 4.524,1354 3.585,1355 40.872,1356 142,1357 101,1358 0.135,1359 208.247,1360 346.26,1361 499.884,1362 23944,1364 18.313,1365 0.678,1366 0.594,1367 18.313,1368 16.033,1369 13.382,1370 0.446,1371 0.345,1372 10.276,1373 13.176,1374 10.073,1375 8.422,1376 13.382,1377 10.338,1378 11.313,1379 0.29,1380 0.196,1381 11.313,1382 7.631,1383 9.521,1384 0.19,1385 0.111,1386 9.521,1387 5.559,1388 7.862,1389 0.125,1390 0.063,1391 7.862,1392 3.977,1393 6.615,1394 0.083,1395 0.036,1396 6.615,1397 2.89,1398 0.228,1399 81.518,1400 0.217,1401 27.23,1402 0.332,1403 138,1404 254.666,1405 142.163,1406 262.945,1407 378.64,1408 250,1409 158,1410 292.507,1411 163.329,1412 303.082,1413 438.06,1414 288,1415 6.301}
{0 CHEMBL1669486,1 1.178,2 15.071,3 5.666,4 32.104,5 118.04,6 6.389,7 0.71,8 4.114,9 4.248,10 3.57,11 3.718,12 5.043,13 3.649,14 4.671,15 4.865,16 3.855,17 4.121,18 5.502,19 4.015,20 4.979,21 5.237,22 3.866,23 4.263,24 5.708,25 4.106,26 4.993,27 5.274,28 3.671,29 4.177,30 5.662,31 3.983,32 4.916,33 5.215,34 3.501,35 4.051,36 5.526,37 3.843,38 4.803,39 5.098,40 3.376,41 3.957,42 5.397,43 3.745,44 4.745,45 5.039,46 3.328,47 3.908,48 5.345,49 3.695,50 4.687,51 4.98,52 3.278,53 3.85,54 5.295,55 3.639,56 0.067,57 0.784,58 13.546,59 5.72,60 10.183,61 8.19,62 0.149,63 1.331,64 24.007,65 9.567,66 16.606,67 13.903,68 0.183,69 1.705,70 32.61,71 13.438,72 24.232,73 19.459,74 0.189,75 1.693,76 33.1,77 13.502,78 24.841,79 19.629,80 0.185,81 1.548,82 30.705,83 12.348,84 21.007,85 18.022,86 0.153,87 1.371,88 27.281,89 11.313,90 17.299,91 16.389,92 0.136,93 1.288,94 25.673,95 10.824,96 16.42,97 15.624,98 0.13,99 1.216,100 24.215,101 10.168,102 15.932,103 14.69,105 40,106 0.191,107 0.43,108 0.58,109 0.687,110 0.731,111 0.743,112 3.373,113 1.049,114 -6.16,115 -6.01,116 -5.58,121 44.8,123 6,127 2,144 10,145 4,147 4,176 19,187 20,189 6,200 13,203 6,214 8,216 6,227 9,229 4,239 12,241 2,251 14,253 2,264 14,277 14,280 1,281 1276,282 19.69,283 19.69,284 19.69,285 19.69,286 19.69,287 17.156,288 9.487,289 12.29,290 19.904,291 15.392,292 15.392,293 15.392,294 15.392,295 15.392,296 11.651,297 5,298 5.94,299 15.74,300 4.68,301 3.207,302 2.28,303 1.621,304 1.345,305 1.276,306 4.082,312 1,313 938,314 3.317,318 338.548,322 286.342,325 2.214,326 6.504,329 0.75,330 0.83,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.82,337 57,338 422,339 4.406,340 2.944,341 6.183,342 3.908,343 2.923,344 4.336,346 9.226,347 2.883,348 4.406,349 2.944,350 6.183,351 3.907,352 2.923,353 4.336,355 9.226,356 2.883,357 3.648,358 2.413,359 5.257,360 3.246,361 2.308,362 3.056,364 6.678,365 2.163,366 3.647,367 2.408,368 5.257,369 3.236,370 2.3,371 3.055,373 6.678,374 2.146,375 3.118,376 1.829,377 4.415,378 2.82,379 1.827,380 2.427,382 4.372,383 1.81,384 3.118,385 1.618,386 4.415,387 2.614,388 1.618,389 2.427,391 4.37,392 1.612,393 2.922,394 1.618,395 3.87,396 2.614,397 1.618,398 2.1,400 3.711,401 1.612,402 2.906,403 1.489,404 3.637,405 2.482,406 1.486,407 2.097,409 3.097,410 1.48,411 2.832,412 1.423,413 3.617,414 2.411,415 1.414,416 1.85,418 3.013,419 1.409,420 2.48,421 1.349,422 3.522,423 2.337,424 1.346,425 1.479,427 2.855,428 1.332,429 2.214,430 0.931,431 3.222,432 1.904,433 0.917,434 1.106,436 1.972,437 0.904,438 2.173,439 0.726,440 3.163,441 1.697,442 0.71,443 1.026,445 1.623,446 0.7,447 1.922,448 0.652,449 3.068,450 1.638,451 0.65,452 0.846,454 1.48,455 0.641,456 1.43,457 0.324,458 2.729,459 1.266,460 0.284,461 0.314,463 0.635,464 0.278,465 1.121,466 -0.078,467 2.394,468 0.815,469 -0.163,470 -0.191,472 -0.38,473 -0.159,474 13.8,475 0.493,476 0.376,477 0.013,478 35,479 1.25,480 18,481 0.643,482 17,483 0.607,484 23.359,485 0.834,486 29.4,487 0.507,488 21.401,489 0.764,490 6.465,491 0.231,492 7.418,493 0.265,496 0.203,501 1.013,502 1.269,503 0.945,504 1.079,505 0.83,506 1.022,507 1.592,508 1.117,509 1.121,510 1.05,511 0.914,512 1.059,513 1.084,514 1.016,515 0.994,516 0.99,517 0.867,518 0.988,519 1.095,520 1.068,521 1.049,522 1.051,523 1.009,524 1.048,525 1.185,526 0.948,527 1.006,528 0.954,529 0.97,530 0.968,531 1.021,532 0.94,533 1.021,534 0.985,535 0.972,536 1,537 0.876,538 0.959,539 1.005,540 1.003,541 0.974,542 1.009,543 0.901,544 0.952,545 0.999,546 0.993,547 1.011,548 1,549 3.5,550 0.082,551 2,552 0.75,553 1.111,554 0.292,555 0.201,556 0.142,557 0.106,558 0.062,559 13819,560 25057,561 2.182,562 51.7,563 8,564 14,566 4,569 4,572 1.696,573 2.154,574 3.854,575 -0.919,582 68.345,583 1.178,584 2.651,585 3.578,586 4.237,587 4.513,588 4.582,589 3.236,590 3.807,591 4.786,592 4.045,593 1528.83,594 8.239,595 23250.4,600 339.763,601 0.75,602 4.784,603 0.113,604 0.005,605 0.05,606 0.019,607 0.037,608 0.012,609 0.009,610 0.007,611 0.005,612 0.003,613 0.26,614 0.5,615 0.88,617 148.165,618 0.142,619 -0.137,620 0.074,621 -0.03,622 0.187,623 0.01,624 -0.163,625 -0.011,626 -0.1,627 -0.052,628 0.052,629 -0.069,630 -0.024,631 -0.013,632 -0.005,633 -0.005,634 0.093,635 -0.004,636 -0.035,637 -0.091,638 -0.065,639 -0.081,640 -0.05,641 -0.076,642 -0.068,643 0.018,644 -0.022,645 0.003,646 -0.067,647 -0.005,648 -0.079,649 0.013,650 -0.046,651 -0.015,652 -0.111,653 -0.027,654 -0.038,655 -0.015,656 -0.035,657 -0.026,658 -0.106,659 -0.03,660 -0.038,661 -0.007,662 -0.028,663 -0.017,664 -0.12,665 -0.021,666 0.377,667 0.332,668 0.714,669 29.571,670 0.975,671 1.117,672 4.933,673 24.33,674 0.667,675 3.466,676 3.714,677 3.951,678 4.174,679 4.407,680 4.344,681 4.382,682 4.419,683 4.431,684 4.143,685 8.919,686 0.611,687 370.58,688 3.466,689 4.963,690 5.784,691 6.621,692 7.458,693 8.302,694 9.145,695 9.993,696 10.84,697 11.69,698 3.4,708 2,714 4,715 14,721 2,722 22,741 58,743 22,744 2,745 31,747 61,748 26,749 18,750 4,751 8,756 4,757 6,770 6,772 18,773 8,793 30,796 2,802 2,803 2,808 0.5,822 2,829 4,833 2,859 2,868 28,876 8,901 13,902 10.167,903 6.306,904 4.014,907 4.279,908 1.567,909 1.011,910 6.543,911 11.826,912 3.761,913 4.357,914 4.973,915 5.58,916 6.188,917 6.384,918 6.708,919 7.026,920 7.302,921 6.57,922 0.9,923 39,924 10.372,926 4.264,927 0.026,929 7.31,931 20.944,933 17.403,936 1.81,937 50.667,941 353.133,942 160.663,943 3.798,948 160.663,949 353.133,950 3.798,952 19.419,953 94.762,954 50.883,955 46.482,957 306.049,959 353.133,960 164.461,964 306.049,965 47.084,968 55.608,969 105.054,970 3.798,972 353.133,973 3.798,974 160.663,977 353.133,978 29.71,979 134.75,982 353.133,983 3.798,984 160.663,986 0.558,987 0.318,988 0.175,989 0.099,990 18,991 6,992 0.148,993 9,994 2,995 1.2,996 4.413,997 219.053,998 0.2,999 20,1000 102.606,1005 18.925,1006 9.68,1007 5.322,1008 5.304,1010 30.588,1016 4.664,1018 517.594,1019 42,1031 56.574,1032 64.809,1034 0.201,1035 0.452,1036 0.611,1037 0.723,1038 0.77,1039 0.782,1040 4.938,1041 1.486,1042 5.7,1043 3.711,1044 4.394,1045 5.043,1047 6.412,1048 4.351,1049 6.11,1050 1.414,1051 7.183,1052 3.097,1053 3.611,1054 4.691,1056 7.081,1057 3.519,1058 7.386,1059 1.346,1060 8.768,1061 3.013,1062 5.878,1063 7.292,1065 10.184,1066 5.787,1067 8.705,1068 0.917,1069 10.419,1070 2.855,1071 5.994,1072 7.867,1074 11.755,1075 5.869,1076 10.062,1077 0.71,1078 12.115,1079 1.972,1080 7.631,1081 9.86,1083 14.311,1084 7.503,1085 11.446,1086 0.65,1087 13.841,1088 1.623,1089 8.215,1090 10.891,1092 16.251,1093 8.069,1094 12.852,1095 0.284,1096 15.59,1097 1.48,1098 9.552,1099 12.606,1101 18.606,1102 9.398,1103 2.923,1104 -0.163,1105 17.354,1106 0.635,1107 10.38,1108 13.864,1110 20.703,1111 10.217,1112 2.923,1113 9.226,1114 19.13,1115 -0.38,1116 11.573,1117 15.448,1119 22.979,1120 11.399,1121 2.308,1122 9.226,1123 20.915,1124 4.336,1125 12.525,1126 16.815,1128 25.145,1129 12.343,1130 2.3,1131 6.678,1132 22.707,1133 4.336,1134 13.65,1135 18.337,1137 27.39,1138 13.458,1139 1.827,1140 6.678,1141 24.504,1142 3.056,1143 14.664,1144 19.757,1146 29.586,1147 14.463,1148 1.618,1149 4.372,1150 26.306,1151 3.055,1152 15.758,1153 21.25,1155 31.817,1156 15.546,1157 1.618,1158 4.37,1159 28.111,1160 2.427,1161 16.801,1162 22.694,1164 34.027,1165 16.579,1166 12654,1167 17140,1168 21.841,1169 38.671,1170 44.509,1171 44.618,1172 44.817,1173 44.702,1174 44.647,1175 60.909,1177 117.873,1178 43.704,1179 5.354,1180 4.944,1181 6.073,1182 4.944,1183 4.923,1184 7.336,1186 15.535,1187 4.883,1189 1.436,1190 1.439,1191 1.446,1192 1.442,1193 1.44,1194 1.965,1196 3.802,1197 1.41,1198 4.121,1199 4.157,1200 4.068,1201 4.045,1202 4.938,1203 4.046,1204 4.082,1205 4.116,1206 4.034,1207 4.011,1208 4.906,1209 4.012,1210 3.777,1211 3.838,1212 3.628,1213 3.661,1214 4.397,1215 3.644,1216 3.646,1217 3.709,1218 3.526,1219 3.5,1220 4.389,1221 3.497,1222 3.522,1223 3.587,1224 3.406,1225 3.371,1226 4.142,1227 3.372,1228 3.361,1229 3.429,1230 3.204,1231 3.236,1232 3.936,1233 3.221,1234 3.154,1235 3.226,1236 2.992,1237 3.03,1238 3.872,1239 3.012,1240 3.052,1241 3.111,1242 2.928,1243 2.949,1244 3.812,1245 2.938,1246 0.142,1247 0.095,1248 0.199,1249 0.126,1250 0.094,1251 4.406,1252 0.14,1253 2.944,1255 6.183,1256 0.298,1257 3.908,1258 0.093,1259 2.923,1260 4.336,1262 9.226,1263 2.883,1264 2.07,1265 2.043,1266 2.165,1267 2.17,1268 1.422,1269 2.171,1270 2.069,1271 2.042,1272 2.16,1273 2.167,1274 1.322,1275 2.167,1276 1.793,1277 1.733,1278 2.03,1279 1.942,1280 1.267,1281 1.975,1282 1.642,1283 1.579,1284 1.876,1285 1.813,1286 1.164,1287 1.837,1288 1.502,1289 1.441,1290 1.711,1291 1.686,1292 0.938,1293 1.7,1294 1.373,1295 1.313,1296 1.598,1297 1.545,1298 0.718,1299 1.571,1300 1.185,1301 1.117,1302 1.475,1303 1.362,1304 0.602,1305 1.406,1306 1.068,1307 1.015,1308 1.316,1309 1.223,1310 0.483,1311 1.258,1312 4.143,1314 5.407,1316 6.876,1318 8.446,1320 10.069,1328 10.11,1340 35.418,1341 68.345,1342 153.731,1343 207.524,1344 245.763,1345 261.763,1346 265.763,1347 33.495,1348 7.547,1349 7.76,1350 7.76,1351 24,1352 12.249,1353 4.524,1354 3.585,1355 43.163,1356 156,1357 110,1358 0.129,1359 217.84,1360 363.56,1361 523.289,1362 25826,1364 19.02,1365 0.679,1366 0.598,1367 19.02,1368 16.74,1369 13.882,1370 0.448,1371 0.35,1372 10.776,1373 13.676,1374 10.563,1375 8.839,1376 13.882,1377 10.838,1378 11.666,1379 0.292,1380 0.2,1381 11.666,1382 7.984,1383 9.771,1384 0.192,1385 0.114,1386 9.771,1387 5.809,1388 8.039,1389 0.126,1390 0.065,1391 8.039,1392 4.154,1393 6.74,1394 0.083,1395 0.037,1396 6.74,1397 3.015,1398 0.22,1399 84.518,1400 0.214,1401 28.218,1402 0.315,1403 142,1404 258.666,1405 146.163,1406 267.107,1407 384.4,1408 254,1409 162,1410 296.507,1411 167.329,1412 307.244,1413 443.82,1414 292,1415 6.109}
{0 CHEMBL1669487,1 1.37,2 11,3 3.033,4 9.196,5 90.79,6 7.376,7 0.846,8 3.819,9 3.93,10 3.407,11 3.418,12 4.881,13 3.392,14 4.329,15 4.483,16 3.715,17 3.809,18 5.337,19 3.759,20 4.539,21 4.725,22 3.733,23 3.936,24 5.481,25 3.84,26 4.613,27 4.86,28 3.504,29 3.779,30 5.452,31 3.652,32 4.405,33 4.653,34 3.306,35 3.554,36 5.228,37 3.429,38 4.28,39 4.542,40 3.184,41 3.397,42 5.096,43 3.285,44 4.135,45 4.369,46 3.139,47 3.358,48 4.995,49 3.255,50 4.053,51 4.286,52 3.1,53 3.374,54 4.894,55 3.257,56 0.027,57 0.554,58 8.195,59 3.66,60 6.788,61 4.781,62 0.271,63 0.924,64 15.299,65 5.779,66 16.662,67 7.499,68 0.084,69 1.103,70 19.02,71 8.27,72 18.443,73 11.165,74 0.237,75 1.174,76 23.107,77 8.712,78 25.99,79 11.786,80 0.15,81 0.952,82 18.637,83 7.026,84 19.836,85 9.586,86 0.162,87 0.837,88 16.904,89 6.077,90 18.9,91 8.288,92 0.14,93 0.711,94 14.143,95 5.386,96 16.648,97 7.167,98 0.097,99 0.675,100 12.564,101 5.071,102 12.757,103 7.006,105 35,106 0.237,107 0.444,108 0.592,109 0.69,110 0.724,111 0.741,112 3.187,113 0.913,114 -4.86,115 -4.77,116 -4.47,121 48.8,128 2,144 10,145 4,147 4,176 14,182 2,187 16,189 4,200 10,203 4,206 4,214 2,216 4,217 1,219 4,229 2,232 4,241 4,244 2,253 4,264 4,266 4,277 8,279 2,281 668,282 16.154,283 16.154,284 16.154,285 16.154,286 16.154,287 13.621,288 10.263,289 9.79,290 16.497,291 12.892,292 12.892,293 12.892,294 12.892,295 12.892,296 9.151,297 14.535,298 4.693,299 13.44,300 3.988,301 2.793,302 1.932,303 1.366,304 1.171,305 1.073,306 3.898,310 1,311 1,312 1,313 570,314 2.449,318 232.699,322 197.355,325 1.565,326 7.353,327 1,328 1,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 48,338 253,339 4.408,340 2.996,341 6.184,342 3.91,343 2.928,344 4.337,345 1.157,346 9.228,347 2.882,348 4.404,349 2.94,350 6.182,351 3.903,352 2.918,353 4.335,354 0.297,355 9.223,356 2.88,357 3.679,358 2.641,359 5.286,360 3.262,361 2.351,362 3.08,364 6.758,365 2.134,366 3.611,367 2.369,368 5.226,369 3.154,370 2.231,371 3.029,373 6.591,374 2.054,375 3.118,376 1.722,377 4.417,378 2.614,379 1.618,380 2.427,382 4.375,383 1.612,384 3.118,385 1.618,386 4.413,387 2.614,388 1.618,389 2.427,391 4.364,392 1.612,393 2.912,394 1.618,395 3.639,396 2.432,397 1.45,398 2.104,400 3.071,401 1.423,402 2.895,403 1.422,404 3.617,405 2.403,406 1.408,407 2.086,409 3.008,410 1.399,411 2.349,412 1.368,413 3.454,414 2.007,415 1.135,416 1.321,418 2.51,419 0.981,420 2.193,421 0.768,422 3.181,423 1.699,424 0.714,425 1.047,427 1.643,428 0.702,429 2.095,430 0.683,431 3.138,432 1.625,433 0.653,434 0.941,436 1.513,437 0.633,438 1.335,439 0.399,440 2.779,441 0.987,442 0.064,443 0.077,445 0.159,446 0.058,447 1.031,448 -0.256,449 2.346,450 0.586,451 -0.385,452 -0.519,454 -0.92,455 -0.372,456 0.882,457 -0.51,458 2.221,459 0.357,460 -0.618,461 -0.927,463 -1.561,464 -0.6,465 0.882,466 -0.618,467 2,468 0.357,469 -0.618,470 -0.927,472 -1.597,473 -0.6,474 11.133,475 0.484,476 0.376,477 0.016,478 33,479 1.435,480 18,481 0.783,482 15,483 0.652,484 13.84,485 0.602,486 23.067,487 0.563,488 21.369,489 0.929,490 6.861,491 0.298,492 4.521,493 0.197,496 0.251,501 0.905,502 1.275,503 0.768,504 1.023,505 0.884,506 0.905,507 1.545,508 0.808,509 1.074,510 0.763,511 1.307,512 0.85,513 0.836,514 1.241,515 1.043,516 1.225,517 0.834,518 1.166,519 1.434,520 0.993,521 1.096,522 1.016,523 1.274,524 1.024,525 1.357,526 1.172,527 1.073,528 1.109,529 1.177,530 1.071,531 1.55,532 0.952,533 0.986,534 0.906,535 1.064,536 0.89,537 1.629,538 0.973,539 1.023,540 0.914,541 1.336,542 0.919,543 0.922,544 0.978,545 0.968,546 0.921,547 0.947,548 0.945,549 3.5,550 0.074,551 2,552 0.75,553 1.031,554 0.347,555 0.16,556 0.142,557 0.172,558 0.071,559 6994,560 14916,561 2.223,562 43.9,564 10,565 4,566 4,572 1.648,573 2.19,574 3.445,575 -0.858,576 1,577 1,579 1,582 56.162,583 1.37,584 2.564,585 3.425,586 3.992,587 4.187,588 4.284,589 2.871,590 3.567,591 4.501,592 3.57,593 903.198,594 7.698,595 10716.3,596 1,597 1,599 1,600 219.66,601 0.828,602 4.498,603 0.135,604 0.005,605 0.057,606 0.022,607 0.041,608 0.017,609 0.009,610 0.008,611 0.01,612 0.004,613 0.307,614 0.5,615 1,617 109.956,618 0.042,619 -0.219,620 0.085,621 -0.087,622 -0.042,623 -0.014,624 -0.036,625 0.287,626 -0.138,627 0.152,628 -0.223,629 0.023,630 0.008,631 -0.265,632 -0.124,633 -0.255,634 0.051,635 -0.21,636 -0.064,637 -0.014,638 -0.064,639 -0.053,640 -0.096,641 -0.058,642 -0.04,643 -0.194,644 -0.042,645 -0.149,646 -0.043,647 -0.104,648 -0.07,649 0.038,650 0.077,651 0.051,652 0.137,653 0.078,654 -0.141,655 -0.009,656 0.008,657 0.057,658 -0.077,659 0.045,660 -0.08,661 0.002,662 0.004,663 0.057,664 -0.059,665 0.038,666 0.968,667 2.33,668 0.87,669 18.397,670 0.99,671 1.11,672 3.629,673 13.17,674 0.697,675 3.296,676 3.584,677 3.85,678 4.094,679 4.344,680 4.29,681 4.344,682 4.419,683 4.511,684 4.382,685 6.469,686 0.658,687 302.4,688 3.296,689 4.812,690 5.652,691 6.509,692 7.361,693 8.22,694 9.075,695 9.935,696 10.792,697 11.652,698 4.9,708 2,714 4,715 14,721 2,722 22,741 41,743 22,744 2,745 26,747 44,748 20,749 18,750 4,751 8,756 4,757 6,772 18,773 2,789 1,790 1,793 18,794 1,796 3,802 2,803 2,808 0.5,809 1,822 2,829 4,833 2,858 1,859 2,868 23,876 2,878 1,893 2.4,897 1,901 10.5,902 7.333,903 5.056,904 2.431,907 4.457,908 1.607,909 1.043,910 3.907,911 11.799,912 3.638,913 4.29,914 4.938,915 5.561,916 6.177,917 6.382,918 6.719,919 7.064,920 7.402,921 7.039,922 1,923 34,924 8.463,926 3.537,927 0.026,929 7.464,931 16.58,933 13.609,936 1.964,937 45.167,938 0.001,940 1,941 211.88,942 149.571,943 3.798,945 11,948 149.571,949 222.88,950 3.798,952 8.327,953 94.762,954 61.882,955 46.482,956 47.084,957 117.711,959 211.88,960 153.369,961 11,964 211.88,966 11,968 44.517,969 105.054,970 3.798,972 211.88,973 14.798,974 149.571,977 211.88,978 18.619,979 134.75,981 11,982 211.88,983 14.798,984 149.571,986 0.57,987 0.332,988 0.184,989 0.103,990 18,991 6,992 0.091,993 4,994 2,995 1.2,996 3.786,997 179.932,998 0.2,999 20,1000 82.042,1005 14.158,1006 6.347,1007 3.173,1008 4.925,1009 11,1010 29.228,1016 4.119,1018 376.249,1019 37,1031 40.6,1032 45.528,1034 0.256,1035 0.479,1036 0.639,1037 0.745,1038 0.781,1039 0.8,1040 4.824,1041 1.408,1042 5.595,1043 3.071,1044 4.263,1045 4.977,1046 1.349,1047 6.344,1048 4.191,1049 6.029,1050 1.135,1051 7.104,1052 3.008,1053 3.611,1054 4.691,1056 7.081,1057 3.519,1058 7.325,1059 0.714,1060 8.712,1061 2.51,1062 5.79,1063 7.271,1064 1.527,1065 10.166,1066 5.663,1067 8.662,1068 0.653,1069 10.381,1070 1.643,1071 5.994,1072 7.867,1074 11.755,1075 5.861,1076 10.032,1077 0.064,1078 12.089,1079 1.513,1080 7.581,1081 9.855,1082 1.759,1083 14.307,1084 7.42,1085 11.425,1086 -0.385,1087 13.825,1088 0.159,1089 8.215,1090 10.891,1092 16.251,1093 8.058,1094 12.838,1095 -0.618,1096 15.579,1097 -0.92,1098 9.527,1099 12.605,1100 2.006,1101 18.605,1102 9.347,1103 2.928,1104 -0.618,1105 17.347,1106 -1.561,1107 10.38,1108 13.864,1110 20.703,1111 10.204,1112 2.918,1113 9.228,1114 19.126,1115 -1.597,1116 11.561,1117 15.447,1118 2.263,1119 22.979,1120 11.367,1121 2.351,1122 9.223,1123 20.912,1124 4.337,1125 12.525,1126 16.815,1128 25.145,1129 12.331,1130 2.231,1131 6.758,1132 22.705,1133 4.335,1134 13.645,1135 18.337,1136 2.529,1137 27.39,1138 13.437,1139 1.618,1140 6.591,1141 24.503,1142 3.08,1143 14.664,1144 19.757,1146 29.586,1147 14.45,1148 1.618,1149 4.375,1150 26.305,1151 3.029,1152 15.757,1153 21.25,1154 2.801,1155 31.817,1156 15.53,1157 1.45,1158 4.364,1159 28.11,1160 2.427,1161 16.802,1162 22.694,1164 34.027,1165 16.567,1166 6384,1167 9404,1168 18.375,1169 28.557,1170 38.255,1171 38.758,1172 38.411,1173 38.146,1174 38.177,1175 54.424,1176 2.909,1177 104.888,1178 36.741,1179 5.274,1180 4.996,1181 5.871,1182 5.003,1183 4.928,1184 7.337,1185 2.315,1186 15.539,1187 4.882,1189 1.471,1190 1.491,1191 1.477,1192 1.467,1193 1.468,1194 2.093,1195 0.112,1196 4.034,1197 1.413,1198 4.12,1199 4.153,1200 4.071,1201 4.04,1202 4.966,1203 4.043,1204 4.071,1205 4.102,1206 4.024,1207 4.004,1208 4.901,1209 4.005,1210 3.624,1211 3.674,1212 3.534,1213 3.428,1214 4.591,1215 3.446,1216 3.513,1217 3.575,1218 3.421,1219 3.361,1220 4.358,1221 3.367,1222 3.189,1223 3.235,1224 3.061,1225 3.028,1226 4.19,1227 3.028,1228 3.065,1229 3.122,1230 2.946,1231 2.963,1232 3.868,1233 2.953,1234 2.997,1235 3.049,1236 2.872,1237 2.866,1238 3.841,1239 2.862,1240 2.818,1241 2.894,1242 2.671,1243 2.668,1244 3.481,1245 2.661,1246 0.17,1247 0.115,1248 0.238,1249 0.15,1250 0.113,1251 4.408,1252 0.167,1253 2.996,1254 0.045,1255 6.184,1256 0.355,1257 3.91,1258 0.111,1259 2.928,1260 4.337,1261 1.157,1262 9.228,1263 2.882,1264 2.069,1265 2.043,1266 2.157,1267 2.175,1268 1.285,1269 2.17,1270 2.06,1271 2.035,1272 2.147,1273 2.15,1274 1.274,1275 2.151,1276 1.56,1277 1.507,1278 1.74,1279 1.782,1280 0.863,1281 1.773,1282 1.482,1283 1.425,1284 1.66,1285 1.665,1286 0.76,1287 1.669,1288 1.164,1289 1.117,1290 1.413,1291 1.369,1292 0.503,1293 1.385,1294 1.08,1295 1.028,1296 1.313,1297 1.23,1298 0.433,1299 1.262,1300 0.999,1301 0.95,1302 1.246,1303 1.166,1304 0.326,1305 1.196,1306 0.833,1307 0.758,1308 1.159,1309 1.038,1310 0.303,1311 1.083,1312 3.97,1314 5.263,1316 6.767,1318 8.368,1320 10.014,1328 1.065,1330 5.83,1340 26.972,1341 56.162,1342 105.137,1343 140.44,1344 163.66,1345 171.66,1346 175.66,1347 21.551,1348 7.343,1349 16.99,1350 16.99,1351 24,1352 12.202,1353 4.524,1354 3.585,1355 32.203,1356 92,1357 69,1358 0.17,1359 164.282,1360 268.55,1361 392.608,1362 17116,1364 15.485,1365 0.673,1366 0.561,1367 15.485,1368 12.905,1369 11.382,1370 0.438,1371 0.304,1372 7.814,1373 11.056,1374 7.659,1375 6.372,1376 11.382,1377 7.915,1378 9.898,1379 0.283,1380 0.167,1381 9.898,1382 5.856,1383 8.521,1384 0.185,1385 0.091,1386 8.521,1387 4.165,1388 7.161,1389 0.121,1390 0.05,1391 7.161,1392 2.944,1393 6.086,1394 0.08,1395 0.028,1396 6.086,1397 2.099,1398 0.276,1399 70.518,1400 0.233,1401 23.103,1402 0.443,1403 122,1404 282.401,1405 129.263,1406 280.001,1407 395.28,1408 266,1409 142,1410 296.143,1411 150.651,1412 306.294,1413 444.78,1414 288,1415 5.699}
{0 CHEMBL1669489,1 1.22,2 11.833,3 3.667,4 13.444,5 100.446,6 7.101,7 0.815,8 3.867,9 3.987,10 3.424,11 3.507,12 4.907,13 3.46,14 4.365,15 4.53,16 3.725,17 3.894,18 5.331,19 3.822,20 4.623,21 4.834,22 3.734,23 4.032,24 5.506,25 3.911,26 4.65,27 4.903,28 3.504,29 3.916,30 5.448,31 3.752,32 4.523,33 4.803,34 3.297,35 3.727,36 5.264,37 3.556,38 4.324,39 4.583,40 3.151,41 3.578,42 5.083,43 3.408,44 4.274,45 4.551,46 3.124,47 3.498,48 5.028,49 3.341,50 4.135,51 4.381,52 3.113,53 3.448,54 4.946,55 3.307,56 0.043,57 0.576,58 9.065,59 3.924,60 8.147,61 5.43,62 0.115,63 0.976,64 15.905,65 6.277,66 13.722,67 8.758,68 0.118,69 1.217,70 21.546,71 9.137,72 19.76,73 12.858,74 0.131,75 1.246,76 23.186,77 9.644,78 22.045,79 13.697,80 0.171,81 1.118,82 21.122,83 8.357,84 19.528,85 11.936,86 0.09,87 0.888,88 16.785,89 7.07,90 15.007,91 10.053,92 0.103,93 0.857,94 16.324,95 6.573,96 15.142,97 9.394,98 0.077,99 0.74,100 13.683,101 5.701,102 12.851,103 8.091,105 36,106 0.207,107 0.437,108 0.607,109 0.696,110 0.727,111 0.743,112 3.227,113 0.943,114 -5.25,115 -5.14,116 -4.81,121 50,127 2,137 2,144 10,145 4,147 4,176 15,187 16,189 6,200 10,203 6,214 6,216 4,227 8,229 2,230 1,239 8,251 6,253 4,264 2,266 4,277 4,279 4,281 760,282 16.861,283 16.861,284 16.861,285 16.861,286 16.861,287 14.068,288 12.77,289 10.29,290 17.076,291 13.392,292 13.392,293 13.392,294 13.392,295 13.392,296 9.337,297 19.216,298 4.94,299 13.74,300 4.24,301 2.891,302 1.891,303 1.364,304 1.182,305 1.091,306 3.938,310 1,311 1,312 1,313 638,314 2.646,318 253.736,322 215.076,325 1.694,326 5.553,328 1,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 49,338 284,339 4.407,340 2.963,341 6.183,342 3.909,343 2.925,344 4.337,345 0.522,346 9.226,347 2.884,348 4.405,349 2.948,350 6.183,351 3.906,352 2.921,353 4.336,354 0.522,355 9.225,356 2.882,357 3.694,358 2.54,359 5.267,360 3.273,361 2.333,362 3.097,364 6.705,365 2.187,366 3.632,367 2.424,368 5.247,369 3.196,370 2.265,371 3.046,373 6.65,374 2.101,375 3.118,376 1.716,377 4.416,378 2.614,379 1.618,380 2.427,382 4.374,383 1.612,384 3.118,385 1.618,386 4.414,387 2.614,388 1.618,389 2.427,391 4.367,392 1.612,393 3.039,394 1.618,395 3.669,396 2.503,397 1.51,398 2.176,400 3.169,401 1.499,402 2.899,403 1.438,404 3.619,405 2.411,406 1.414,407 2.091,409 3.017,410 1.408,411 2.854,412 1.38,413 3.561,414 2.311,415 1.325,416 1.95,418 2.865,419 1.305,420 2.205,421 0.98,422 3.201,423 1.741,424 0.755,425 1.071,427 1.722,428 0.743,429 2.18,430 0.696,431 3.155,432 1.671,433 0.683,434 1.018,436 1.575,437 0.674,438 1.621,439 0.627,440 2.956,441 1.394,442 0.418,443 0.491,445 0.973,446 0.407,447 1.226,448 -0.1,449 2.485,450 0.767,451 -0.207,452 -0.284,454 -0.508,455 -0.201,456 0.906,457 -0.359,458 2.266,459 0.494,460 -0.497,461 -0.671,463 -1.148,464 -0.492,465 0.882,466 -0.618,467 2.143,468 0.357,469 -0.618,470 -0.927,472 -1.593,473 -0.6,474 11.8,475 0.492,476 0.376,477 0.016,478 34,479 1.417,480 19,481 0.792,482 15,483 0.625,484 15.176,485 0.632,486 23.6,487 0.536,488 21.901,489 0.913,490 6.977,491 0.291,492 4.906,493 0.204,496 0.237,501 0.985,502 1.2,503 0.817,504 0.966,505 0.899,506 0.898,507 1.725,508 1.026,509 1.058,510 0.93,511 1.071,512 0.95,513 1.047,514 1.1,515 1.057,516 1.079,517 0.972,518 1.07,519 1.034,520 1.125,521 1.088,522 1.114,523 1.061,524 1.106,525 1.25,526 0.845,527 1.026,528 0.904,529 1.074,530 0.943,531 0.894,532 1.097,533 1.047,534 1.096,535 1.006,536 1.083,537 1.115,538 0.924,539 0.918,540 0.887,541 0.86,542 0.89,543 0.978,544 1.059,545 0.979,546 1.016,547 1.047,548 1.001,549 3.5,550 0.058,551 2,552 0.75,553 1.111,554 0.236,555 0.242,556 0.111,557 0.106,558 0.134,559 8135,560 16360,561 2.213,562 45.5,564 16,566 4,572 1.658,573 2.182,574 3.537,575 -0.905,577 1,582 53.669,583 1.22,584 2.568,585 3.568,586 4.096,587 4.278,588 4.369,589 2.918,590 3.585,591 4.563,592 3.678,593 1015.17,594 7.814,595 12720.6,597 1,599 1,600 240.215,601 0.811,602 4.56,603 0.13,604 0.003,605 0.056,606 0.021,607 0.043,608 0.011,609 0.013,610 0.006,611 0.006,612 0.007,613 0.297,614 0.5,615 1,617 117.482,618 0.122,619 -0.162,620 0.076,621 -0.042,622 0.012,623 0.004,624 -0.248,625 0.055,626 -0.121,627 -0.018,628 -0.156,629 -0.053,630 -0.065,631 -0.113,632 -0.105,633 -0.115,634 -0.03,635 -0.113,636 -0.033,637 -0.153,638 -0.102,639 -0.137,640 -0.073,641 -0.126,642 -0.003,643 0.159,644 -0.006,645 0.07,646 -0.073,647 0.039,648 0.013,649 -0.141,650 -0.057,651 -0.108,652 -0.043,653 -0.091,654 0.011,655 0.061,656 0.097,657 0.095,658 0.129,659 0.1,660 0.025,661 -0.083,662 0.006,663 -0.039,664 -0.061,665 -0.022,666 0.612,667 0.219,668 0.833,669 20.278,670 0.981,671 1.108,672 4.022,673 16.178,674 0.701,675 3.332,676 3.611,677 3.871,678 4.111,679 4.357,680 4.29,681 4.344,682 4.394,683 4.443,684 4.263,685 6.966,686 0.654,687 312.44,688 3.332,689 4.844,690 5.68,691 6.532,692 7.381,693 8.237,694 9.089,695 9.946,696 10.8,697 11.657,698 4.5,708 2,714 4,715 14,721 2,722 22,741 44,743 23,744 2,745 27,747 47,748 22,749 18,750 4,751 8,756 4,757 6,772 20,773 2,777 1,784 2,789 1,790 1,793 20,796 2,802 2,803 2,808 0.5,822 2,829 4,833 2,849 2,859 2,868 24,876 2,901 11,902 7.833,903 5.306,904 2.708,907 5.094,908 1.69,909 1.047,910 4.24,911 12.48,912 3.689,913 4.331,914 4.966,915 5.595,916 6.212,917 6.435,918 6.811,919 7.189,920 7.519,921 7.267,922 0.875,923 35,924 8.834,926 3.675,927 0.026,929 7.403,931 17.459,933 14.391,936 1.903,937 45.667,940 1,941 235.422,942 164.408,943 3.798,948 164.408,949 235.422,950 3.798,952 4.211,953 113.715,954 50.883,955 46.482,957 188.338,959 235.422,960 168.206,964 235.422,968 40.401,969 105.054,970 22.751,972 235.422,973 3.798,974 164.408,977 235.422,978 14.503,979 153.703,982 235.422,983 3.798,984 164.408,986 0.567,987 0.33,988 0.183,989 0.103,990 18,991 6,992 0.085,993 4,994 2,995 1.2,996 3.915,997 187.549,998 0.2,999 20,1000 86.039,1005 14.888,1006 6.835,1007 3.483,1008 5.114,1010 29.914,1016 4.424,1018 403.628,1019 39,1026 4.438,1031 43.156,1032 48.733,1034 0.223,1035 0.47,1036 0.654,1037 0.75,1038 0.784,1039 0.8,1040 4.871,1041 1.414,1042 5.617,1043 3.169,1044 4.29,1045 5.017,1046 0.736,1047 6.358,1048 4.242,1049 6.076,1050 1.325,1051 7.12,1052 3.017,1053 3.611,1054 4.691,1056 7.081,1057 3.519,1058 7.368,1059 0.755,1060 8.724,1061 2.865,1062 5.808,1063 7.297,1064 0.259,1065 10.169,1066 5.711,1067 8.7,1068 0.683,1069 10.389,1070 1.722,1071 5.994,1072 7.867,1074 11.755,1075 5.869,1076 10.064,1077 0.418,1078 12.094,1079 1.575,1080 7.591,1081 9.868,1082 0.077,1083 14.308,1084 7.458,1085 11.452,1086 -0.207,1087 13.828,1088 0.973,1089 8.215,1090 10.892,1092 16.251,1093 8.069,1094 12.86,1095 -0.497,1096 15.581,1097 -0.508,1098 9.532,1099 12.611,1100 0.022,1101 18.605,1102 9.375,1103 2.925,1104 -0.618,1105 17.349,1106 -1.148,1107 10.38,1108 13.865,1110 20.703,1111 10.217,1112 2.921,1113 9.226,1114 19.127,1115 -1.593,1116 11.563,1117 15.451,1118 0.006,1119 22.979,1120 11.388,1121 2.333,1122 9.225,1123 20.913,1124 4.337,1125 12.525,1126 16.817,1128 25.145,1129 12.343,1130 2.265,1131 6.705,1132 22.706,1133 4.336,1134 13.646,1135 18.339,1136 0.002,1137 27.389,1138 13.453,1139 1.618,1140 6.65,1141 24.504,1142 3.097,1143 14.664,1144 19.758,1146 29.586,1147 14.463,1148 1.618,1149 4.374,1150 26.305,1151 3.046,1152 15.757,1153 21.251,1155 31.817,1156 15.544,1157 1.51,1158 4.367,1159 28.11,1160 2.427,1161 16.801,1162 22.695,1164 34.027,1165 16.579,1166 7426,1167 10609,1168 19.068,1169 30.864,1170 39.676,1171 39.973,1172 39.742,1173 39.619,1174 39.57,1175 56.93,1176 2.086,1177 107.734,1178 38.627,1179 5.151,1180 4.963,1181 5.87,1182 4.946,1183 4.925,1184 7.337,1185 1.043,1186 15.536,1187 4.884,1189 1.469,1190 1.48,1191 1.472,1192 1.467,1193 1.466,1194 2.109,1195 0.077,1196 3.99,1197 1.431,1198 4.124,1199 4.159,1200 4.073,1201 4.047,1202 4.946,1203 4.048,1204 4.075,1205 4.107,1206 4.028,1207 4.007,1208 4.904,1209 4.008,1210 3.701,1211 3.753,1212 3.602,1213 3.585,1214 4.483,1215 3.582,1216 3.537,1217 3.599,1218 3.444,1219 3.381,1220 4.371,1221 3.389,1222 3.334,1223 3.389,1224 3.218,1225 3.231,1226 4.172,1227 3.222,1228 3.083,1229 3.142,1230 2.959,1231 2.978,1232 3.874,1233 2.967,1234 3.033,1235 3.088,1236 2.915,1237 2.937,1238 3.847,1239 2.926,1240 2.894,1241 2.966,1242 2.736,1243 2.762,1244 3.542,1245 2.747,1246 0.163,1247 0.11,1248 0.229,1249 0.145,1250 0.108,1251 4.407,1252 0.161,1253 2.963,1254 0.019,1255 6.183,1256 0.342,1257 3.909,1258 0.107,1259 2.925,1260 4.337,1261 0.522,1262 9.226,1263 2.884,1264 2.075,1265 2.047,1266 2.165,1267 2.176,1268 1.302,1269 2.175,1270 2.063,1271 2.037,1272 2.15,1273 2.155,1274 1.279,1275 2.156,1276 1.696,1277 1.646,1278 1.878,1279 1.837,1280 1.035,1281 1.855,1282 1.505,1283 1.447,1284 1.686,1285 1.689,1286 0.816,1287 1.695,1288 1.342,1289 1.293,1290 1.544,1291 1.485,1292 0.59,1293 1.51,1294 1.099,1295 1.045,1296 1.349,1297 1.255,1298 0.481,1299 1.29,1300 1.049,1301 1,1302 1.274,1303 1.192,1304 0.346,1305 1.224,1306 0.921,1307 0.852,1308 1.218,1309 1.102,1310 0.322,1311 1.146,1312 4.007,1314 5.293,1316 6.79,1318 8.384,1320 10.025,1328 1.776,1340 28.784,1341 53.669,1342 112.996,1343 156.996,1344 180.215,1345 188.215,1346 192.215,1347 23.138,1348 7.386,1349 7.76,1350 7.76,1351 24,1352 12.21,1353 4.585,1354 3.7,1355 34.296,1356 104,1357 76,1358 0.159,1359 176.543,1360 291.72,1361 422.525,1362 18720,1364 16.192,1365 0.675,1366 0.569,1367 16.192,1368 13.652,1369 11.882,1370 0.44,1371 0.314,1372 8.425,1373 11.676,1374 8.246,1375 6.881,1376 11.882,1377 8.488,1378 10.252,1379 0.285,1380 0.173,1381 10.252,1382 6.243,1383 8.771,1384 0.187,1385 0.096,1386 8.771,1387 4.502,1388 7.332,1389 0.122,1390 0.053,1391 7.332,1392 3.17,1393 6.244,1394 0.081,1395 0.03,1396 6.244,1397 2.292,1398 0.261,1399 72.518,1400 0.229,1401 24.164,1402 0.407,1403 126,1404 252.666,1405 130.163,1406 261.201,1407 375.4,1408 248,1409 146,1410 289.507,1411 151.329,1412 300.609,1413 434.65,1414 285,1415 5.155}
{0 CHEMBL1669490,1 1.22,2 11.833,3 3.667,4 13.444,5 100.446,6 7.101,7 0.815,8 3.867,9 3.987,10 3.424,11 3.507,12 4.907,13 3.46,14 4.365,15 4.53,16 3.725,17 3.894,18 5.331,19 3.822,20 4.623,21 4.834,22 3.734,23 4.032,24 5.506,25 3.911,26 4.65,27 4.903,28 3.504,29 3.916,30 5.448,31 3.752,32 4.523,33 4.803,34 3.297,35 3.727,36 5.264,37 3.556,38 4.324,39 4.583,40 3.151,41 3.578,42 5.083,43 3.408,44 4.274,45 4.551,46 3.124,47 3.498,48 5.028,49 3.341,50 4.135,51 4.381,52 3.113,53 3.448,54 4.946,55 3.307,56 0.043,57 0.576,58 9.065,59 3.924,60 8.147,61 5.43,62 0.115,63 0.976,64 15.905,65 6.277,66 13.722,67 8.758,68 0.118,69 1.217,70 21.546,71 9.137,72 19.76,73 12.858,74 0.131,75 1.246,76 23.186,77 9.644,78 22.045,79 13.697,80 0.171,81 1.118,82 21.122,83 8.357,84 19.528,85 11.936,86 0.09,87 0.888,88 16.785,89 7.07,90 15.007,91 10.053,92 0.103,93 0.857,94 16.324,95 6.573,96 15.142,97 9.394,98 0.077,99 0.74,100 13.683,101 5.701,102 12.851,103 8.091,105 36,106 0.207,107 0.437,108 0.607,109 0.696,110 0.727,111 0.743,112 3.227,113 0.943,114 -5.25,115 -5.14,116 -4.81,121 50,127 2,137 2,144 10,145 4,147 4,176 15,187 16,189 6,200 10,203 6,214 6,216 4,227 8,229 2,230 1,239 8,251 6,253 4,264 2,266 4,277 4,279 4,281 760,282 16.861,283 16.861,284 16.861,285 16.861,286 16.861,287 14.068,288 12.77,289 10.29,290 17.076,291 13.392,292 13.392,293 13.392,294 13.392,295 13.392,296 9.337,297 19.216,298 4.94,299 13.74,300 4.24,301 2.891,302 1.891,303 1.364,304 1.182,305 1.091,306 3.938,310 1,311 1,312 1,313 638,314 2.646,318 253.736,322 215.076,325 1.694,326 5.553,328 1,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 49,338 284,339 4.407,340 2.963,341 6.183,342 3.909,343 2.925,344 4.337,345 0.522,346 9.226,347 2.884,348 4.405,349 2.948,350 6.183,351 3.906,352 2.921,353 4.336,354 0.522,355 9.225,356 2.882,357 3.694,358 2.54,359 5.267,360 3.273,361 2.333,362 3.097,364 6.705,365 2.187,366 3.632,367 2.424,368 5.247,369 3.196,370 2.265,371 3.046,373 6.65,374 2.101,375 3.118,376 1.716,377 4.416,378 2.614,379 1.618,380 2.427,382 4.374,383 1.612,384 3.118,385 1.618,386 4.414,387 2.614,388 1.618,389 2.427,391 4.367,392 1.612,393 3.039,394 1.618,395 3.669,396 2.503,397 1.51,398 2.176,400 3.169,401 1.499,402 2.899,403 1.438,404 3.619,405 2.411,406 1.414,407 2.091,409 3.017,410 1.408,411 2.854,412 1.38,413 3.561,414 2.311,415 1.325,416 1.95,418 2.865,419 1.305,420 2.205,421 0.98,422 3.201,423 1.741,424 0.755,425 1.071,427 1.722,428 0.743,429 2.18,430 0.696,431 3.155,432 1.671,433 0.683,434 1.018,436 1.575,437 0.674,438 1.621,439 0.627,440 2.956,441 1.394,442 0.418,443 0.491,445 0.973,446 0.407,447 1.226,448 -0.1,449 2.485,450 0.767,451 -0.207,452 -0.284,454 -0.508,455 -0.201,456 0.906,457 -0.359,458 2.266,459 0.494,460 -0.497,461 -0.671,463 -1.148,464 -0.492,465 0.882,466 -0.618,467 2.143,468 0.357,469 -0.618,470 -0.927,472 -1.593,473 -0.6,474 11.8,475 0.492,476 0.376,477 0.016,478 34,479 1.417,480 19,481 0.792,482 15,483 0.625,484 15.176,485 0.632,486 23.6,487 0.536,488 21.901,489 0.913,490 6.977,491 0.291,492 4.906,493 0.204,496 0.237,501 0.985,502 1.2,503 0.817,504 0.966,505 0.899,506 0.898,507 1.725,508 1.026,509 1.058,510 0.93,511 1.071,512 0.95,513 1.047,514 1.1,515 1.057,516 1.079,517 0.972,518 1.07,519 1.034,520 1.125,521 1.088,522 1.114,523 1.061,524 1.106,525 1.25,526 0.845,527 1.026,528 0.904,529 1.074,530 0.943,531 0.894,532 1.097,533 1.047,534 1.096,535 1.006,536 1.083,537 1.115,538 0.924,539 0.918,540 0.887,541 0.86,542 0.89,543 0.978,544 1.059,545 0.979,546 1.016,547 1.047,548 1.001,549 3.5,550 0.058,551 2,552 0.75,553 1.111,554 0.236,555 0.242,556 0.111,557 0.106,558 0.134,559 8135,560 16360,561 2.213,562 45.5,564 16,566 4,572 1.658,573 2.182,574 3.537,575 -0.905,577 1,582 53.669,583 1.22,584 2.568,585 3.568,586 4.096,587 4.278,588 4.369,589 2.918,590 3.585,591 4.563,592 3.678,593 1015.17,594 7.814,595 12720.6,597 1,599 1,600 240.215,601 0.811,602 4.56,603 0.13,604 0.003,605 0.056,606 0.021,607 0.043,608 0.011,609 0.013,610 0.006,611 0.006,612 0.007,613 0.297,614 0.5,615 1,617 117.482,618 0.122,619 -0.162,620 0.076,621 -0.042,622 0.012,623 0.004,624 -0.248,625 0.055,626 -0.121,627 -0.018,628 -0.156,629 -0.053,630 -0.065,631 -0.113,632 -0.105,633 -0.115,634 -0.03,635 -0.113,636 -0.033,637 -0.153,638 -0.102,639 -0.137,640 -0.073,641 -0.126,642 -0.003,643 0.159,644 -0.006,645 0.07,646 -0.073,647 0.039,648 0.013,649 -0.141,650 -0.057,651 -0.108,652 -0.043,653 -0.091,654 0.011,655 0.061,656 0.097,657 0.095,658 0.129,659 0.1,660 0.025,661 -0.083,662 0.006,663 -0.039,664 -0.061,665 -0.022,666 0.612,667 0.219,668 0.833,669 20.278,670 0.981,671 1.108,672 4.022,673 16.178,674 0.701,675 3.332,676 3.611,677 3.871,678 4.111,679 4.357,680 4.29,681 4.344,682 4.394,683 4.443,684 4.263,685 6.966,686 0.654,687 312.44,688 3.332,689 4.844,690 5.68,691 6.532,692 7.381,693 8.237,694 9.089,695 9.946,696 10.8,697 11.657,698 4.5,708 2,714 4,715 14,721 2,722 22,741 44,743 23,744 2,745 27,747 47,748 22,749 18,750 4,751 8,756 4,757 6,772 20,773 2,777 1,784 2,789 1,790 1,793 20,796 2,802 2,803 2,808 0.5,822 2,829 4,833 2,849 2,859 2,868 24,876 2,901 11,902 7.833,903 5.306,904 2.708,907 5.094,908 1.69,909 1.047,910 4.24,911 12.48,912 3.689,913 4.331,914 4.966,915 5.595,916 6.212,917 6.435,918 6.811,919 7.189,920 7.519,921 7.267,922 0.875,923 35,924 8.834,926 3.675,927 0.026,929 7.403,931 17.459,933 14.391,936 1.903,937 45.667,940 1,941 235.422,942 164.408,943 3.798,948 164.408,949 235.422,950 3.798,952 4.211,953 113.715,954 50.883,955 46.482,957 188.338,959 235.422,960 168.206,964 235.422,968 40.401,969 105.054,970 22.751,972 235.422,973 3.798,974 164.408,977 235.422,978 14.503,979 153.703,982 235.422,983 3.798,984 164.408,986 0.567,987 0.33,988 0.183,989 0.103,990 18,991 6,992 0.085,993 4,994 2,995 1.2,996 3.915,997 187.549,998 0.2,999 20,1000 86.039,1005 14.888,1006 6.835,1007 3.483,1008 5.114,1010 29.914,1016 4.424,1018 403.628,1019 39,1026 4.438,1031 43.156,1032 48.733,1034 0.223,1035 0.47,1036 0.654,1037 0.75,1038 0.784,1039 0.8,1040 4.871,1041 1.414,1042 5.617,1043 3.169,1044 4.29,1045 5.017,1046 0.736,1047 6.358,1048 4.242,1049 6.076,1050 1.325,1051 7.12,1052 3.017,1053 3.611,1054 4.691,1056 7.081,1057 3.519,1058 7.368,1059 0.755,1060 8.724,1061 2.865,1062 5.808,1063 7.297,1064 0.259,1065 10.169,1066 5.711,1067 8.7,1068 0.683,1069 10.389,1070 1.722,1071 5.994,1072 7.867,1074 11.755,1075 5.869,1076 10.064,1077 0.418,1078 12.094,1079 1.575,1080 7.591,1081 9.868,1082 0.077,1083 14.308,1084 7.458,1085 11.452,1086 -0.207,1087 13.828,1088 0.973,1089 8.215,1090 10.892,1092 16.251,1093 8.069,1094 12.86,1095 -0.497,1096 15.581,1097 -0.508,1098 9.532,1099 12.611,1100 0.022,1101 18.605,1102 9.375,1103 2.925,1104 -0.618,1105 17.349,1106 -1.148,1107 10.38,1108 13.865,1110 20.703,1111 10.217,1112 2.921,1113 9.226,1114 19.127,1115 -1.593,1116 11.563,1117 15.451,1118 0.006,1119 22.979,1120 11.388,1121 2.333,1122 9.225,1123 20.913,1124 4.337,1125 12.525,1126 16.817,1128 25.145,1129 12.343,1130 2.265,1131 6.705,1132 22.706,1133 4.336,1134 13.646,1135 18.339,1136 0.002,1137 27.389,1138 13.453,1139 1.618,1140 6.65,1141 24.504,1142 3.097,1143 14.664,1144 19.758,1146 29.586,1147 14.463,1148 1.618,1149 4.374,1150 26.305,1151 3.046,1152 15.757,1153 21.251,1155 31.817,1156 15.544,1157 1.51,1158 4.367,1159 28.11,1160 2.427,1161 16.801,1162 22.695,1164 34.027,1165 16.579,1166 7426,1167 10609,1168 19.068,1169 30.864,1170 39.676,1171 39.973,1172 39.742,1173 39.619,1174 39.57,1175 56.93,1176 2.086,1177 107.734,1178 38.627,1179 5.151,1180 4.963,1181 5.87,1182 4.946,1183 4.925,1184 7.337,1185 1.043,1186 15.536,1187 4.884,1189 1.469,1190 1.48,1191 1.472,1192 1.467,1193 1.466,1194 2.109,1195 0.077,1196 3.99,1197 1.431,1198 4.124,1199 4.159,1200 4.073,1201 4.047,1202 4.946,1203 4.048,1204 4.075,1205 4.107,1206 4.028,1207 4.007,1208 4.904,1209 4.008,1210 3.701,1211 3.753,1212 3.602,1213 3.585,1214 4.483,1215 3.582,1216 3.537,1217 3.599,1218 3.444,1219 3.381,1220 4.371,1221 3.389,1222 3.334,1223 3.389,1224 3.218,1225 3.231,1226 4.172,1227 3.222,1228 3.083,1229 3.142,1230 2.959,1231 2.978,1232 3.874,1233 2.967,1234 3.033,1235 3.088,1236 2.915,1237 2.937,1238 3.847,1239 2.926,1240 2.894,1241 2.966,1242 2.736,1243 2.762,1244 3.542,1245 2.747,1246 0.163,1247 0.11,1248 0.229,1249 0.145,1250 0.108,1251 4.407,1252 0.161,1253 2.963,1254 0.019,1255 6.183,1256 0.342,1257 3.909,1258 0.107,1259 2.925,1260 4.337,1261 0.522,1262 9.226,1263 2.884,1264 2.075,1265 2.047,1266 2.165,1267 2.176,1268 1.302,1269 2.175,1270 2.063,1271 2.037,1272 2.15,1273 2.155,1274 1.279,1275 2.156,1276 1.696,1277 1.646,1278 1.878,1279 1.837,1280 1.035,1281 1.855,1282 1.505,1283 1.447,1284 1.686,1285 1.689,1286 0.816,1287 1.695,1288 1.342,1289 1.293,1290 1.544,1291 1.485,1292 0.59,1293 1.51,1294 1.099,1295 1.045,1296 1.349,1297 1.255,1298 0.481,1299 1.29,1300 1.049,1301 1,1302 1.274,1303 1.192,1304 0.346,1305 1.224,1306 0.921,1307 0.852,1308 1.218,1309 1.102,1310 0.322,1311 1.146,1312 4.007,1314 5.293,1316 6.79,1318 8.384,1320 10.025,1328 1.776,1340 28.784,1341 53.669,1342 112.996,1343 156.996,1344 180.215,1345 188.215,1346 192.215,1347 23.138,1348 7.386,1349 7.76,1350 7.76,1351 24,1352 12.21,1353 4.585,1354 3.7,1355 34.296,1356 104,1357 76,1358 0.159,1359 176.543,1360 291.72,1361 422.525,1362 18720,1364 16.192,1365 0.675,1366 0.569,1367 16.192,1368 13.652,1369 11.882,1370 0.44,1371 0.314,1372 8.425,1373 11.676,1374 8.246,1375 6.881,1376 11.882,1377 8.488,1378 10.252,1379 0.285,1380 0.173,1381 10.252,1382 6.243,1383 8.771,1384 0.187,1385 0.096,1386 8.771,1387 4.502,1388 7.332,1389 0.122,1390 0.053,1391 7.332,1392 3.17,1393 6.244,1394 0.081,1395 0.03,1396 6.244,1397 2.292,1398 0.261,1399 72.518,1400 0.229,1401 24.164,1402 0.407,1403 126,1404 252.666,1405 130.163,1406 261.201,1407 375.4,1408 248,1409 146,1410 289.507,1411 151.329,1412 300.609,1413 434.65,1414 285,1415 4.77}
{0 CHEMBL1669492,1 1.197,2 12.321,3 4.717,4 22.252,5 115.263,6 7.25,7 0.875,8 4.001,9 4.116,10 3.579,11 3.667,12 5.047,13 3.62,14 4.504,15 4.66,16 3.909,17 4.072,18 5.477,19 4.003,20 4.775,21 4.968,22 3.935,23 4.22,24 5.671,25 4.103,26 4.852,27 5.105,28 3.769,29 4.131,30 5.647,31 3.982,32 4.716,33 4.962,34 3.671,35 4.027,36 5.525,37 3.883,38 4.658,39 4.918,40 3.608,41 3.977,42 5.443,43 3.832,44 4.551,45 4.777,46 3.583,47 3.935,48 5.39,49 3.794,50 4.533,51 4.781,52 3.519,53 3.863,54 5.355,55 3.724,56 0.047,57 0.629,58 9.953,59 4.399,60 9.056,61 6.038,62 0.121,63 1.086,64 17.6,65 7.178,66 14.278,67 9.878,68 0.119,69 1.386,70 24.158,71 10.549,72 21.25,73 14.715,74 0.17,75 1.544,76 28.376,77 11.714,78 25.806,79 16.517,80 0.148,81 1.343,82 24.506,83 10.158,84 22.139,85 14.295,86 0.173,87 1.269,88 23.576,89 9.809,90 20.639,91 13.837,92 0.088,93 1.089,94 20.132,95 9.001,96 18.223,97 12.663,98 0.115,99 1.104,100 20.42,101 8.629,102 19.167,103 12.161,105 44,106 0.197,107 0.407,108 0.576,109 0.712,110 0.75,111 0.763,112 3.374,113 0.925,114 -5.95,115 -5.8,116 -5.4,121 52,127 2,144 14,145 6,147 4,176 20,187 22,189 6,200 13,203 8,214 6,216 8,227 12,229 4,239 20,242 1,251 22,264 16,266 4,277 8,279 4,281 1194,282 19.618,283 19.618,284 19.618,285 19.618,286 19.618,287 16.361,288 16.763,289 11.79,290 19.816,291 15.892,292 15.892,293 15.892,294 15.892,295 15.892,296 11.104,297 28.586,298 5.692,299 16.221,300 4.446,301 3.167,302 2.138,303 1.312,304 1.08,305 1,306 4.096,311 1,312 1,313 784,314 2.449,318 372.991,322 244.951,325 1.964,326 7.024,329 0.75,330 0.83,331 1,332 0.6,333 0.5,334 1,335 1,336 0.81,337 57,338 345,339 4.413,340 3.059,341 6.187,342 3.926,343 2.945,344 4.338,345 0.522,346 9.249,347 2.895,348 4.408,349 2.973,350 6.185,351 3.911,352 2.927,353 4.337,354 0.522,355 9.238,356 2.885,357 4.095,358 2.832,359 5.702,360 3.705,361 2.711,362 3.695,364 8.049,365 2.694,366 3.717,367 2.609,368 5.414,369 3.341,370 2.389,371 3.117,373 7.174,374 2.274,375 3.553,376 2.207,377 5.1,378 3.071,379 2.132,380 2.983,382 6.239,383 1.995,384 3.201,385 1.931,386 4.743,387 2.772,388 1.795,389 2.47,391 5.223,392 1.747,393 3.118,394 1.618,395 4.411,396 2.614,397 1.618,398 2.427,400 4.362,401 1.612,402 3.118,403 1.618,404 4.405,405 2.614,406 1.618,407 2.427,409 4.346,410 1.612,411 2.895,412 1.42,413 3.619,414 2.404,415 1.408,416 2.086,418 3.011,419 1.401,420 2.88,421 1.4,422 3.615,423 2.384,424 1.391,425 2.063,427 2.996,428 1.38,429 2.663,430 1.23,431 3.496,432 2.185,433 1.187,434 1.739,436 2.622,437 1.184,438 2.188,439 0.722,440 3.191,441 1.691,442 0.704,443 1.038,445 1.629,446 0.694,447 2.186,448 0.715,449 3.18,450 1.687,451 0.7,452 1.034,454 1.619,455 0.69,456 1.376,457 0.251,458 2.965,459 1.023,460 0.052,461 0.066,463 0.145,464 0.051,465 1.357,466 0.207,467 2.869,468 1.02,469 0.044,470 0.057,472 0.117,473 0.043,474 13.8,475 0.493,476 0.512,477 0.018,478 41.5,479 1.482,480 24,481 0.857,482 17.5,483 0.625,484 18.429,485 0.658,486 27,487 0.54,488 28.491,489 1.018,490 8.38,491 0.299,492 5.452,493 0.195,496 0.275,501 0.965,502 1.125,503 0.793,504 0.918,505 0.888,506 0.86,507 1.666,508 0.98,509 1.015,510 0.898,511 1.004,512 0.917,513 0.988,514 1.219,515 1.101,516 1.172,517 1.059,518 1.148,519 1.212,520 1.072,521 1.032,522 1.022,523 0.964,524 1.018,525 1.236,526 1.044,527 1.049,528 1.018,529 1.064,530 1.023,531 1.096,532 0.714,533 0.941,534 0.813,535 0.933,536 0.858,537 0.633,538 1.062,539 0.987,540 1.076,541 0.944,542 1.055,543 1.035,544 0.946,545 0.959,546 0.941,547 0.94,548 0.945,549 5,550 0.107,551 2,552 1.375,553 1.253,554 0.472,555 0.441,556 0.243,557 0.188,558 0.114,559 11862,560 23839,561 2.246,562 44,564 18,566 4,572 1.705,573 2.211,574 3.604,575 -0.919,582 59.874,583 1.197,584 2.477,585 3.506,586 4.332,587 4.564,588 4.644,589 3.066,590 3.682,591 4.782,592 3.75,593 1417.51,594 8.285,595 19214,597 1,600 282.193,601 0.863,602 4.781,603 0.156,604 0.005,605 0.045,606 0.032,607 0.036,608 0.015,609 0.014,610 0.008,611 0.007,612 0.005,613 0.323,614 0.5,615 0.75,617 142.581,618 0.119,619 -0.122,620 0.078,621 -0.02,622 0.005,623 0.018,624 -0.234,625 0.074,626 -0.099,627 0.001,628 -0.124,629 -0.034,630 -0.03,631 -0.243,632 -0.163,633 -0.22,634 -0.132,635 -0.203,636 -0.024,637 -0.065,638 -0.024,639 -0.043,640 0.017,641 -0.035,642 -0.07,643 -0.039,644 -0.051,645 -0.042,646 -0.076,647 -0.045,648 -0.007,649 0.285,650 0.069,651 0.18,652 0.042,653 0.138,654 0.063,655 -0.125,656 -0.022,657 -0.082,658 0.011,659 -0.062,660 -0.016,661 0.039,662 0.038,663 0.047,664 0.057,665 0.046,666 0.624,667 0.31,668 0.929,669 26.592,670 0.981,671 1.103,672 4.719,673 22.268,674 0.713,675 3.497,676 3.807,677 4.078,678 4.357,679 4.615,680 4.615,681 4.745,682 4.913,683 5.017,684 5.017,685 7.184,686 0.666,687 362.5,688 3.497,689 5.03,690 5.878,691 6.746,692 7.603,693 8.474,694 9.334,695 10.206,696 11.067,697 11.939,698 4,708 2,714 4,715 18,720 2,721 2,722 28,741 50,743 28,744 3,745 32,747 54,748 26,749 24,750 6,751 12,756 5,757 7,772 24,773 2,793 22,796 2,802 2,803 2,808 0.6,822 2,829 5,833 2,859 3,868 28,876 2,901 12.667,902 9,903 6.056,904 3.069,907 5.676,908 1.7,909 1.069,910 4.499,911 13.787,912 3.85,913 4.516,914 5.152,915 5.787,916 6.405,917 6.641,918 7.064,919 7.543,920 7.965,921 8.089,922 1,923 43,924 10.314,926 4.369,927 0.026,929 7.393,931 20.423,933 17.192,936 1.893,937 53,939 1,940 1,941 258.964,942 189.732,943 3.798,948 189.732,949 258.964,950 3.798,952 4.211,953 132.667,954 50.883,955 52.853,957 211.88,959 258.964,960 193.53,964 258.964,968 40.401,969 149.33,970 3.798,972 258.964,973 3.798,974 189.732,977 258.964,978 20.874,979 172.655,982 258.964,983 3.798,984 189.732,986 0.576,987 0.333,988 0.188,989 0.105,990 23,991 8,992 0.074,993 4,994 2,995 1.154,996 4.219,997 245.1,998 0.154,999 26,1000 108.606,1005 16.941,1006 7.435,1007 3.776,1008 5.098,1010 39.003,1015 2.637,1016 4.509,1018 452.494,1019 46,1031 49.04,1032 55.149,1034 0.212,1035 0.439,1036 0.621,1037 0.768,1038 0.809,1039 0.823,1040 5.05,1041 1.618,1042 5.832,1043 4.362,1044 4.489,1045 5.204,1046 0.736,1047 6.594,1048 4.449,1049 6.264,1050 1.408,1051 7.348,1052 4.346,1053 3.892,1054 4.913,1056 7.322,1057 3.823,1058 7.565,1059 1.391,1060 8.958,1061 3.011,1062 6.033,1063 7.484,1064 0.259,1065 10.413,1066 5.954,1067 8.901,1068 1.187,1069 10.624,1070 2.996,1071 6.256,1072 8.037,1074 11.961,1075 6.157,1076 10.266,1077 0.704,1078 12.326,1079 2.622,1080 7.827,1081 10.032,1082 0.077,1083 14.522,1084 7.716,1085 11.654,1086 0.7,1087 14.053,1088 1.629,1089 8.462,1090 11.023,1092 16.429,1093 8.338,1094 13.059,1095 0.052,1096 15.798,1097 1.619,1098 9.767,1099 12.743,1100 0.022,1101 18.784,1102 9.629,1103 2.945,1104 0.044,1105 17.556,1106 0.145,1107 10.616,1108 13.967,1110 20.855,1111 10.467,1112 2.927,1113 9.249,1114 19.324,1115 0.117,1116 11.792,1117 15.552,1118 0.006,1119 23.126,1120 11.63,1121 2.711,1122 9.238,1123 21.1,1124 4.338,1125 12.749,1126 16.895,1128 25.274,1129 12.576,1130 2.389,1131 8.049,1132 22.882,1133 4.337,1134 13.865,1135 18.415,1136 0.002,1137 27.511,1138 13.678,1139 2.132,1140 7.174,1141 24.67,1142 3.695,1143 14.878,1144 19.818,1146 29.695,1147 14.678,1148 1.795,1149 6.239,1150 26.462,1151 3.117,1152 15.966,1153 21.308,1155 31.92,1156 15.752,1157 1.618,1158 5.223,1159 28.258,1160 2.983,1161 17.007,1162 22.742,1164 34.121,1165 16.779,1166 10670,1167 15218,1168 22.652,1169 35.625,1170 47.494,1171 47.563,1172 47.665,1173 47.261,1174 47.241,1175 67.756,1176 2.086,1177 132.041,1178 46.314,1179 5.205,1180 5.059,1181 5.874,1182 4.963,1183 4.945,1184 7.338,1185 1.043,1186 15.574,1187 4.895,1189 1.484,1190 1.486,1191 1.49,1192 1.477,1193 1.476,1194 2.117,1195 0.065,1196 4.126,1197 1.447,1198 4.137,1199 4.171,1200 4.085,1201 4.059,1202 4.952,1203 4.061,1204 4.078,1205 4.111,1206 4.031,1207 4.009,1208 4.906,1209 4.01,1210 3.901,1211 3.928,1212 3.837,1213 3.855,1214 4.708,1215 3.847,1216 3.567,1217 3.627,1218 3.476,1219 3.416,1220 4.383,1221 3.423,1222 3.486,1223 3.545,1224 3.394,1225 3.345,1226 4.344,1227 3.35,1228 3.144,1229 3.2,1230 3.018,1231 3.049,1232 3.893,1233 3.035,1234 3.08,1235 3.139,1236 2.956,1237 2.976,1238 3.875,1239 2.965,1240 2.99,1241 3.046,1242 2.866,1243 2.9,1244 3.714,1245 2.885,1246 0.138,1247 0.096,1248 0.193,1249 0.123,1250 0.092,1251 4.413,1252 0.136,1253 3.059,1254 0.016,1255 6.187,1256 0.289,1257 3.926,1258 0.09,1259 2.945,1260 4.338,1261 0.522,1262 9.249,1263 2.895,1264 2.082,1265 2.055,1266 2.172,1267 2.182,1268 1.324,1269 2.181,1270 2.066,1271 2.039,1272 2.153,1273 2.159,1274 1.285,1275 2.159,1276 1.912,1277 1.887,1278 2.025,1279 1.98,1280 1.169,1281 1.997,1282 1.537,1283 1.48,1284 1.714,1285 1.715,1286 0.885,1287 1.721,1288 1.462,1289 1.408,1290 1.64,1291 1.631,1292 0.706,1293 1.64,1294 1.167,1295 1.115,1296 1.406,1297 1.309,1298 0.529,1299 1.345,1300 1.097,1301 1.043,1302 1.343,1303 1.25,1304 0.454,1305 1.285,1306 1.013,1307 0.963,1308 1.25,1309 1.156,1310 0.334,1311 1.191,1312 4.174,1314 5.485,1316 7,1318 8.606,1320 10.254,1328 1.752,1340 33.311,1341 59.874,1342 123.831,1343 175.28,1344 216.583,1345 228.193,1346 232.193,1347 27.958,1348 8.11,1349 7.76,1350 7.76,1351 30,1352 12.483,1353 4.858,1354 3.907,1355 37.881,1356 123,1357 104,1358 0.148,1359 201.664,1360 332.38,1361 483.821,1362 44984,1364 18.761,1365 0.67,1366 0.565,1367 18.761,1368 15.807,1369 13.832,1370 0.432,1371 0.308,1372 9.804,1373 13.632,1374 9.577,1375 7.971,1376 13.832,1377 9.866,1378 12.337,1379 0.28,1380 0.171,1381 12.337,1382 7.537,1383 10.521,1384 0.181,1385 0.094,1386 10.521,1387 5.436,1388 9.143,1389 0.119,1390 0.052,1391 9.143,1392 4.018,1393 7.778,1394 0.078,1395 0.029,1396 7.778,1397 2.895,1398 0.239,1399 84.215,1400 0.21,1401 27.168,1402 0.392,1403 152,1404 302.666,1405 156.163,1406 314.107,1407 452.86,1408 298,1409 178,1410 350.507,1411 183.662,1412 365.698,1413 529.98,1414 346,1415 5.097}
{0 CHEMBL1669493,1 1.197,2 13.143,3 4.717,4 22.252,5 115.263,6 7.25,7 0.875,8 4.001,9 4.116,10 3.579,11 3.667,12 5.047,13 3.62,14 4.504,15 4.66,16 3.909,17 4.072,18 5.476,19 4.003,20 4.775,21 4.968,22 3.935,23 4.22,24 5.673,25 4.103,26 4.852,27 5.105,28 3.75,29 4.125,30 5.654,31 3.971,32 4.713,33 4.973,34 3.629,35 4.003,36 5.51,37 3.855,38 4.568,39 4.806,40 3.523,41 3.925,42 5.377,43 3.772,44 4.517,45 4.777,46 3.47,47 3.841,48 5.303,49 3.694,50 4.353,51 4.573,52 3.383,53 3.737,54 5.213,55 3.596,56 0.047,57 0.629,58 9.953,59 4.399,60 9.056,61 6.038,62 0.121,63 1.086,64 17.6,65 7.178,66 14.167,67 9.878,68 0.119,69 1.386,70 24.158,71 10.549,72 21.028,73 14.715,74 0.17,75 1.544,76 28.361,77 11.712,78 26.889,79 16.512,80 0.158,81 1.344,82 24.916,83 10.226,84 23.556,85 14.424,86 0.098,87 1.111,88 20.81,89 9.229,90 18.334,91 13,92 0.138,93 1.084,94 20.414,95 8.76,96 17.806,97 12.381,98 0.072,99 0.895,100 16.334,101 7.272,102 15.889,103 10.214,105 44,106 0.197,107 0.407,108 0.568,109 0.684,110 0.71,111 0.723,112 3.374,113 0.925,114 -5.95,115 -5.8,116 -5.4,121 52,127 2,144 14,145 6,147 4,176 20,187 22,189 6,200 13,203 8,214 6,216 8,227 12,229 4,239 20,251 22,254 1,264 16,277 8,279 4,281 1128,282 19.618,283 19.618,284 19.618,285 19.618,286 19.618,287 16.361,288 16.763,289 11.753,290 19.816,291 15.875,292 15.875,293 15.875,294 15.875,295 15.875,296 11.098,297 27.115,298 5.67,299 16.204,300 4.446,301 3.167,302 2.186,303 1.48,304 1.32,305 1.24,306 4.096,311 1,312 1,313 838,314 2.449,318 394.255,322 262.905,325 2.143,326 7.01,329 0.75,330 0.83,331 1,332 0.6,333 0.5,334 1,335 1,336 0.81,337 57,338 368,339 4.412,340 3.037,341 6.186,342 3.922,343 2.941,344 4.338,345 0.522,346 9.244,347 2.892,348 4.408,349 2.981,350 6.185,351 3.912,352 2.929,353 4.337,354 0.522,355 9.24,356 2.886,357 4.066,358 2.814,359 5.624,360 3.673,361 2.681,362 3.662,364 7.785,365 2.661,366 3.747,367 2.65,368 5.458,369 3.386,370 2.425,371 3.146,373 7.314,374 2.328,375 3.553,376 2.205,377 5.074,378 3.071,379 2.131,380 2.983,382 6.165,383 1.995,384 3.281,385 1.988,386 4.846,387 2.836,388 1.867,389 2.587,391 5.515,392 1.803,393 3.118,394 1.618,395 4.411,396 2.614,397 1.618,398 2.427,400 4.362,401 1.612,402 3.118,403 1.618,404 4.407,405 2.614,406 1.618,407 2.427,409 4.351,410 1.612,411 2.893,412 1.416,413 3.618,414 2.4,415 1.405,416 2.084,418 3.008,419 1.398,420 2.882,421 1.402,422 3.615,423 2.387,424 1.393,425 2.068,427 2.997,428 1.383,429 2.5,430 1,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.195,439 0.778,440 3.212,441 1.708,442 0.721,443 1.052,445 1.669,446 0.711,447 2.185,448 0.713,449 3.178,450 1.686,451 0.698,452 1.033,454 1.615,455 0.688,456 1.585,457 0.522,458 3.037,459 1.279,460 0.3,461 0.373,463 0.77,464 0.293,465 1.271,466 0.091,467 2.818,468 0.903,469 -0.067,470 -0.086,472 -0.18,473 -0.064,474 13.8,475 0.493,476 0.512,477 0.018,478 41.5,479 1.482,480 24,481 0.857,482 17.5,483 0.625,484 18.193,485 0.65,486 27,487 0.54,488 28.22,489 1.008,490 8.38,491 0.299,492 5.452,493 0.195,496 0.275,501 0.965,502 1.125,503 0.793,504 0.918,505 0.888,506 0.86,507 1.666,508 0.98,509 1.015,510 0.898,511 1.009,512 0.917,513 0.988,514 1.219,515 1.101,516 1.172,517 1.042,518 1.148,519 1.224,520 1.099,521 1.061,522 1.053,523 1.019,524 1.05,525 1.283,526 0.894,527 0.995,528 0.903,529 1.015,530 0.928,531 0.721,532 0.976,533 1.019,534 1.046,535 1.044,536 1.048,537 0.767,538 0.732,539 0.885,540 0.833,541 0.81,542 0.859,543 0.718,544 1.166,545 1.064,546 1.164,547 1.072,548 1.139,549 5,550 0.074,551 2.222,552 1.125,553 1.413,554 0.361,555 0.563,556 0.198,557 0.147,558 0.136,559 12538,560 25135,561 2.246,562 44,564 18,566 4,572 1.701,573 2.211,574 3.673,575 -0.919,582 59.874,583 1.197,584 2.477,585 3.458,586 4.164,587 4.324,588 4.404,589 3.093,590 3.468,591 4.781,592 3.843,593 1452.77,594 8.262,595 20159.8,597 1,600 282.193,601 0.863,602 4.781,603 0.156,604 0.004,605 0.051,606 0.026,607 0.042,608 0.012,609 0.02,610 0.007,611 0.006,612 0.007,613 0.331,614 0.5,615 0.75,617 143.985,618 0.119,619 -0.122,620 0.078,621 -0.02,622 0.005,623 0.018,624 -0.234,625 0.074,626 -0.099,627 0.001,628 -0.13,629 -0.034,630 -0.03,631 -0.243,632 -0.163,633 -0.22,634 -0.115,635 -0.203,636 -0.036,637 -0.093,638 -0.054,639 -0.074,640 -0.016,641 -0.067,642 -0.104,643 0.115,644 0.019,645 0.082,646 -0.005,647 0.062,648 -0.021,649 -0.037,650 -0.045,651 -0.045,652 -0.078,653 -0.046,654 0.122,655 0.237,656 0.12,657 0.173,658 0.155,659 0.152,660 0.038,661 -0.221,662 -0.105,663 -0.18,664 -0.085,665 -0.156,666 0.617,667 0.245,668 0.929,669 28.857,670 0.981,671 1.103,672 4.719,673 22.268,674 0.713,675 3.497,676 3.807,677 4.078,678 4.344,679 4.615,680 4.595,681 4.745,682 4.89,683 4.99,684 4.99,685 7.653,686 0.666,687 362.5,688 3.497,689 5.03,690 5.878,691 6.744,692 7.601,693 8.469,694 9.33,695 10.197,696 11.06,697 11.927,698 4,708 2,714 4,715 18,720 2,721 2,722 28,741 50,743 28,744 3,745 32,747 54,748 26,749 24,750 6,751 12,756 5,757 7,772 24,773 2,793 22,796 2,802 2,803 2,808 0.6,822 2,829 5,833 2,859 3,868 28,876 2,901 12.667,902 9,903 6.056,904 3.069,907 5.599,908 1.69,909 1.069,910 4.499,911 13.709,912 3.85,913 4.516,914 5.152,915 5.78,916 6.408,917 6.632,918 7.067,919 7.533,920 7.951,921 8.079,922 0.889,923 43,924 10.314,926 4.369,927 0.026,929 7.393,931 20.423,933 17.192,936 1.893,937 53,939 1,940 1,941 258.964,942 189.732,943 3.798,948 189.732,949 258.964,950 3.798,952 4.211,953 132.667,954 50.883,955 52.853,957 211.88,959 258.964,960 193.53,964 258.964,968 40.401,969 149.33,970 3.798,972 258.964,973 3.798,974 189.732,977 258.964,978 20.874,979 172.655,982 258.964,983 3.798,984 189.732,986 0.577,987 0.334,988 0.185,989 0.105,990 23,991 8,992 0.074,993 4,994 2,995 1.154,996 4.27,997 241.959,998 0.154,999 26,1000 102.606,1005 16.941,1006 7.435,1007 3.776,1008 5.103,1010 39.014,1015 2.625,1016 4.491,1018 452.494,1019 46,1031 49.04,1032 55.149,1034 0.212,1035 0.439,1036 0.613,1037 0.738,1038 0.766,1039 0.78,1040 5.05,1041 1.618,1042 5.832,1043 4.362,1044 4.489,1045 5.204,1046 0.736,1047 6.592,1048 4.449,1049 6.264,1050 1.405,1051 7.348,1052 4.351,1053 3.892,1054 4.913,1056 7.322,1057 3.823,1058 7.565,1059 1.393,1060 8.957,1061 3.008,1062 6.033,1063 7.484,1064 0.259,1065 10.401,1066 5.954,1067 8.901,1068 1,1069 10.623,1070 2.997,1071 6.256,1072 8.037,1074 11.951,1075 6.157,1076 10.266,1077 0.721,1078 12.324,1079 2.275,1080 7.824,1081 10.03,1082 0.077,1083 14.503,1084 7.713,1085 11.653,1086 0.698,1087 14.049,1088 1.669,1089 8.456,1090 11.02,1092 16.41,1093 8.332,1094 13.058,1095 0.3,1096 15.792,1097 1.615,1098 9.759,1099 12.74,1100 0.022,1101 18.76,1102 9.621,1103 2.941,1104 -0.067,1105 17.548,1106 0.77,1107 10.604,1108 13.961,1110 20.832,1111 10.454,1112 2.929,1113 9.244,1114 19.315,1115 -0.18,1116 11.779,1117 15.547,1118 0.006,1119 23.101,1120 11.615,1121 2.681,1122 9.24,1123 21.089,1124 4.338,1125 12.733,1126 16.889,1128 25.249,1129 12.558,1130 2.425,1131 7.785,1132 22.87,1133 4.337,1134 13.848,1135 18.41,1136 0.002,1137 27.486,1138 13.659,1139 2.131,1140 7.314,1141 24.657,1142 3.662,1143 14.858,1144 19.813,1146 29.671,1147 14.655,1148 1.867,1149 6.165,1150 26.448,1151 3.146,1152 15.946,1153 21.303,1155 31.896,1156 15.729,1157 1.618,1158 5.515,1159 28.243,1160 2.983,1161 16.984,1162 22.737,1164 34.099,1165 16.753,1166 11242,1167 16010,1168 22.652,1169 35.625,1170 47.638,1171 47.64,1172 47.671,1173 47.504,1174 47.452,1175 68.031,1176 2.086,1177 132.62,1178 46.521,1179 5.198,1180 5.037,1181 5.873,1182 4.959,1183 4.941,1184 7.338,1185 1.043,1186 15.566,1187 4.892,1189 1.489,1190 1.489,1191 1.49,1192 1.484,1193 1.483,1194 2.126,1195 0.065,1196 4.144,1197 1.454,1198 4.136,1199 4.17,1200 4.084,1201 4.059,1202 4.952,1203 4.061,1204 4.079,1205 4.112,1206 4.032,1207 4.009,1208 4.906,1209 4.011,1210 3.9,1211 3.927,1212 3.837,1213 3.854,1214 4.707,1215 3.847,1216 3.575,1217 3.634,1218 3.484,1219 3.426,1220 4.386,1221 3.433,1222 3.479,1223 3.538,1224 3.388,1225 3.339,1226 4.338,1227 3.343,1228 3.157,1229 3.212,1230 3.034,1231 3.067,1232 3.897,1233 3.052,1234 3.062,1235 3.118,1236 2.943,1237 2.96,1238 3.866,1239 2.95,1240 2.995,1241 3.049,1242 2.873,1243 2.905,1244 3.718,1245 2.891,1246 0.138,1247 0.095,1248 0.193,1249 0.123,1250 0.092,1251 4.412,1252 0.136,1253 3.037,1254 0.016,1255 6.186,1256 0.289,1257 3.922,1258 0.09,1259 2.941,1260 4.338,1261 0.522,1262 9.244,1263 2.892,1264 2.082,1265 2.054,1266 2.172,1267 2.181,1268 1.321,1269 2.181,1270 2.066,1271 2.04,1272 2.153,1273 2.16,1274 1.286,1275 2.16,1276 1.912,1277 1.887,1278 2.026,1279 1.98,1280 1.167,1281 1.997,1282 1.546,1283 1.489,1284 1.722,1285 1.721,1286 0.901,1287 1.727,1288 1.455,1289 1.401,1290 1.632,1291 1.624,1292 0.695,1293 1.632,1294 1.181,1295 1.131,1296 1.414,1297 1.319,1298 0.536,1299 1.354,1300 1.076,1301 1.025,1302 1.308,1303 1.225,1304 0.413,1305 1.257,1306 1.017,1307 0.968,1308 1.251,1309 1.158,1310 0.335,1311 1.193,1312 4.174,1314 5.485,1316 7,1318 8.605,1320 10.251,1328 1.766,1340 33.311,1341 59.874,1342 123.831,1343 172.89,1344 208.193,1345 216.193,1346 220.193,1347 27.985,1348 8.11,1349 7.76,1350 7.76,1351 30,1352 12.473,1353 4.858,1354 3.907,1355 38.064,1356 134,1357 104,1358 0.139,1359 201.664,1360 332.38,1361 483.821,1362 44984,1364 18.761,1365 0.67,1366 0.565,1367 18.761,1368 15.807,1369 13.832,1370 0.432,1371 0.308,1372 9.804,1373 13.632,1374 9.578,1375 7.97,1376 13.832,1377 9.866,1378 12.326,1379 0.28,1380 0.171,1381 12.326,1382 7.533,1383 10.596,1384 0.183,1385 0.094,1386 10.596,1387 5.467,1388 9.015,1389 0.119,1390 0.052,1391 9.015,1392 3.944,1393 7.84,1394 0.078,1395 0.029,1396 7.84,1397 2.915,1398 0.227,1399 84.215,1400 0.21,1401 27.451,1402 0.36,1403 152,1404 302.666,1405 156.163,1406 314.042,1407 452.84,1408 298,1409 178,1410 350.507,1411 183.662,1412 365.563,1413 529.76,1414 346,1415 4.921}
{0 CHEMBL1669494,1 1.178,2 13.781,3 5.626,4 31.647,5 131.713,6 7.367,7 0.892,8 4.12,9 4.23,10 3.714,11 3.804,12 5.169,13 3.758,14 4.626,15 4.774,16 4.063,17 4.222,18 5.608,19 4.156,20 4.905,21 5.09,22 4.108,23 4.383,24 5.819,25 4.272,26 4.991,27 5.235,28 3.939,29 4.303,30 5.805,31 4.156,32 4.866,33 5.111,34 3.829,35 4.187,36 5.671,37 4.043,38 4.769,39 5.011,40 3.779,41 4.126,42 5.574,43 3.988,44 4.703,45 4.928,46 3.793,47 4.11,48 5.551,49 3.983,50 4.68,51 4.91,52 3.761,53 4.086,54 5.535,55 3.959,56 0.05,57 0.678,58 10.827,59 4.849,60 9.784,61 6.63,62 0.127,63 1.187,64 19.245,65 8.028,66 15.183,67 10.959,68 0.128,69 1.541,70 26.816,71 11.885,72 23.556,73 16.504,74 0.183,75 1.759,76 32.096,77 13.557,78 29.651,79 18.987,80 0.163,81 1.549,82 28.353,83 11.977,84 25.754,85 16.779,86 0.135,87 1.382,88 25.573,89 11.06,90 21.652,91 15.523,92 0.113,93 1.27,94 23.326,95 10.303,96 20.071,97 14.443,98 0.155,99 1.269,100 23.019,101 9.922,102 21.487,103 13.887,105 52,106 0.188,107 0.391,108 0.557,109 0.71,110 0.749,111 0.76,112 3.502,113 0.914,114 -6.6,115 -6.42,116 -5.95,121 53.6,127 2,144 16,145 8,147 4,176 25,187 30,189 6,200 22,203 8,214 12,216 8,227 14,229 6,239 20,241 4,251 26,253 2,264 28,267 1,277 24,281 1830,282 22.427,283 22.427,284 22.427,285 22.427,286 22.427,287 18.655,288 16.763,289 13.3,290 22.625,291 18.363,292 18.363,293 18.363,294 18.363,295 18.363,296 12.751,297 27.115,298 6.423,299 18.692,300 4.629,301 3.356,302 2.313,303 1.348,304 1.107,305 1.036,306 4.233,312 1,313 1011,314 2.646,318 494.282,322 417.7,325 2.246,326 8.619,329 0.75,330 0.67,331 0.83,332 0.5,333 0.5,334 0.83,335 1,336 0.73,337 65,338 441,339 4.458,340 3.093,341 6.229,342 3.989,343 2.998,344 4.383,345 0.522,346 9.423,347 2.978,348 4.409,349 2.996,350 6.186,351 3.915,352 2.932,353 4.337,354 0.522,355 9.242,356 2.887,357 4.394,358 2.909,359 6.18,360 3.892,361 2.901,362 4.329,364 9.214,365 2.876,366 3.86,367 2.722,368 5.53,369 3.498,370 2.521,371 3.311,373 7.533,374 2.465,375 3.719,376 2.529,377 5.456,378 3.324,379 2.366,380 3.134,382 7.243,383 2.266,384 3.472,385 2.109,386 4.986,387 2.986,388 2.033,389 2.89,391 5.921,392 1.928,393 3.337,394 1.99,395 4.935,396 2.87,397 1.897,398 2.699,400 5.702,401 1.838,402 3.118,403 1.618,404 4.419,405 2.614,406 1.618,407 2.427,409 4.373,410 1.612,411 3.118,412 1.618,413 4.41,414 2.614,415 1.618,416 2.427,418 4.358,419 1.612,420 3.056,421 1.574,422 4.384,423 2.564,424 1.565,425 2.326,427 4.27,428 1.564,429 2.891,430 1.411,431 3.617,432 2.397,433 1.402,434 2.08,436 3.005,437 1.394,438 2.885,439 1.404,440 3.616,441 2.39,442 1.395,443 2.072,445 3,446 1.386,447 2.283,448 0.883,449 3.321,450 1.816,451 0.82,452 1.185,454 1.926,455 0.817,456 2.189,457 0.725,458 3.191,459 1.692,460 0.705,461 1.04,463 1.632,464 0.695,465 2.177,466 0.697,467 3.183,468 1.675,469 0.686,470 1.02,472 1.599,473 0.678,474 15.8,475 0.494,476 0.632,477 0.02,478 48,479 1.5,480 28,481 0.875,482 20,483 0.625,484 22.087,485 0.69,486 30.4,487 0.543,488 34.471,489 1.077,490 9.586,491 0.3,492 6.212,493 0.194,496 0.304,501 0.947,502 1.068,503 0.774,504 0.883,505 0.897,506 0.832,507 1.616,508 0.947,509 0.983,510 0.875,511 0.961,512 0.893,513 0.982,514 1.188,515 1.09,516 1.15,517 1.031,518 1.13,519 1.199,520 1.086,521 1.061,522 1.053,523 1.027,524 1.05,525 1.192,526 1.016,527 1.028,528 0.999,529 1.076,530 1.004,531 0.959,532 0.933,533 0.955,534 0.945,535 0.916,536 0.949,537 0.807,538 0.961,539 0.94,540 0.969,541 0.847,542 0.963,543 0.978,544 0.771,545 0.956,546 0.869,547 0.984,548 0.903,549 6,550 0.124,551 2.667,552 1.5,553 1.698,554 0.639,555 0.602,556 0.33,557 0.245,558 0.225,559 17595,560 35232,561 2.27,562 42.9,564 20,566 4,572 1.74,573 2.233,574 3.76,575 -0.929,582 65.966,583 1.178,584 2.451,585 3.495,586 4.459,587 4.7,588 4.772,589 3.226,590 3.938,591 4.972,592 3.911,593 1939.7,594 8.67,595 29158.5,600 325.212,601 0.896,602 4.972,603 0.162,604 0.004,605 0.051,606 0.029,607 0.04,608 0.017,609 0.016,610 0.009,611 0.007,612 0.007,613 0.343,614 0.5,615 0.75,617 170.523,618 0.116,619 -0.093,620 0.078,621 -0.005,622 -0.018,623 0.027,624 -0.222,625 0.084,626 -0.084,627 0.012,628 -0.099,629 -0.021,630 -0.038,631 -0.221,632 -0.159,633 -0.205,634 -0.106,635 -0.192,636 -0.038,637 -0.077,638 -0.053,639 -0.066,640 -0.03,641 -0.061,642 -0.05,643 -0.008,644 -0.019,645 -0.009,646 -0.08,647 -0.012,648 -0.006,649 0.048,650 0.044,651 0.053,652 0.04,653 0.051,654 0.03,656 0.036,657 0.021,658 0.103,659 0.027,660 0.011,661 0.217,662 0.029,663 0.117,664 0.008,665 0.082,666 0.634,667 0.325,668 0.938,669 35.961,670 0.981,671 1.099,672 5.37,673 28.834,674 0.721,675 3.638,676 3.97,677 4.263,678 4.554,679 4.844,680 4.883,681 5.043,682 5.242,683 5.389,684 5.464,685 7.967,686 0.676,687 412.56,688 3.638,689 5.187,690 6.047,691 6.927,692 7.796,693 8.677,694 9.549,695 10.43,696 11.304,697 12.185,698 3.6,708 2,714 6,715 20,720 2,721 2,722 33,741 56,743 33,744 4,745 37,747 61,748 30,749 28,750 8,751 14,756 6,757 9,772 28,773 2,793 24,796 2,802 2,803 2,808 0.5,822 2,829 6,833 3,859 3,868 32,876 2,901 14.333,902 10.167,903 6.833,904 3.465,907 6.626,908 1.748,909 1.09,910 4.803,911 15.482,912 3.998,913 4.696,914 5.362,915 6.02,916 6.671,917 6.972,918 7.428,919 7.941,920 8.412,921 8.668,922 1,923 52,924 11.794,926 5.064,927 0.026,929 7.385,931 23.386,933 19.983,936 1.885,937 60.333,941 282.506,942 213.83,943 3.798,948 213.83,949 282.506,950 3.798,952 4.211,953 151.62,954 50.883,955 57.999,957 235.422,959 282.506,960 217.628,964 282.506,968 40.401,969 173.429,970 3.798,972 282.506,973 3.798,974 213.83,977 282.506,978 26.02,979 191.608,982 282.506,983 3.798,984 213.83,986 0.582,987 0.34,988 0.19,989 0.108,990 28,991 10,992 0.066,993 4,994 3,995 1.2,996 4.583,997 301.971,998 0.2,999 30,1000 130,1005 19.007,1006 8.086,1007 3.976,1008 7.666,1010 43.785,1015 2.626,1016 4.524,1018 500.135,1019 53.5,1031 54.923,1032 61.564,1034 0.203,1035 0.422,1036 0.602,1037 0.768,1038 0.809,1039 0.822,1040 5.211,1041 1.618,1042 6.014,1043 5.702,1044 4.654,1045 5.384,1046 0.736,1047 6.799,1048 4.62,1049 6.44,1050 1.618,1051 7.546,1052 4.373,1053 4.111,1054 5.173,1056 7.573,1057 4.056,1058 7.754,1059 1.565,1060 9.171,1061 4.358,1062 6.225,1063 7.707,1064 0.259,1065 10.665,1066 6.16,1067 9.103,1068 1.402,1069 10.852,1070 4.27,1071 6.494,1072 8.333,1074 12.247,1075 6.416,1076 10.482,1077 1.395,1078 12.567,1079 3.005,1080 8.045,1081 10.298,1082 0.077,1083 14.817,1084 7.956,1085 11.882,1086 0.82,1087 14.307,1088 3,1089 8.717,1090 11.347,1092 16.751,1093 8.622,1094 13.3,1095 0.705,1096 16.063,1097 1.926,1098 10.012,1099 13.051,1100 0.022,1101 19.119,1102 9.907,1103 2.998,1104 0.686,1105 17.832,1106 1.632,1107 10.89,1108 14.316,1110 21.212,1111 10.779,1112 2.932,1113 9.423,1114 19.611,1115 1.599,1116 12.066,1117 15.896,1118 0.006,1119 23.497,1120 11.945,1121 2.901,1122 9.242,1123 21.398,1124 4.383,1125 13.046,1126 17.268,1128 25.663,1129 12.92,1130 2.521,1131 9.214,1132 23.19,1133 4.337,1134 14.167,1135 18.79,1136 0.002,1137 27.914,1138 14.032,1139 2.366,1140 7.533,1141 24.988,1142 4.329,1143 15.198,1144 20.213,1146 30.113,1147 15.056,1148 2.033,1149 7.243,1150 26.789,1151 3.311,1152 16.295,1153 21.707,1155 32.352,1156 16.145,1157 1.897,1158 5.921,1159 28.594,1160 3.134,1161 17.351,1162 23.155,1164 34.567,1165 17.193,1166 15599,1167 22182,1168 26.235,1169 40.387,1170 55.38,1171 55.611,1172 55.596,1173 55.289,1174 55.266,1175 79.774,1176 2.086,1177 157.836,1178 54.337,1179 5.227,1180 5.093,1181 5.916,1182 5.025,1183 4.998,1184 7.383,1185 1.043,1186 15.838,1187 4.978,1189 1.497,1190 1.503,1191 1.503,1192 1.494,1193 1.494,1194 2.156,1195 0.056,1196 4.266,1197 1.469,1198 4.164,1199 4.194,1200 4.115,1201 4.101,1202 4.969,1203 4.1,1204 4.082,1205 4.115,1206 4.035,1207 4.011,1208 4.908,1209 4.013,1210 4.031,1211 4.053,1212 3.986,1213 3.99,1214 4.847,1215 3.987,1216 3.654,1217 3.702,1218 3.571,1219 3.552,1220 4.432,1221 3.55,1222 3.535,1223 3.594,1224 3.445,1225 3.387,1226 4.367,1227 3.394,1228 3.38,1229 3.427,1230 3.287,1231 3.28,1232 4.217,1233 3.276,1234 3.128,1235 3.182,1236 3.009,1237 3.038,1238 3.895,1239 3.025,1240 3.054,1241 3.11,1242 2.936,1243 2.954,1244 3.863,1245 2.944,1246 0.12,1247 0.084,1248 0.168,1249 0.108,1250 0.081,1251 4.458,1252 0.118,1253 3.093,1254 0.014,1255 6.229,1256 0.255,1257 3.989,1258 0.08,1259 2.998,1260 4.383,1261 0.522,1262 9.423,1263 2.978,1264 2.113,1265 2.09,1266 2.197,1267 2.196,1268 1.365,1269 2.198,1270 2.069,1271 2.042,1272 2.156,1273 2.164,1274 1.292,1275 2.164,1276 2.034,1277 2.013,1278 2.119,1279 2.093,1280 1.249,1281 2.103,1282 1.645,1283 1.602,1284 1.802,1285 1.78,1286 0.992,1287 1.791,1288 1.505,1289 1.45,1290 1.679,1291 1.68,1292 0.812,1293 1.686,1294 1.382,1295 1.336,1296 1.56,1297 1.511,1298 0.617,1299 1.531,1300 1.149,1301 1.1,1302 1.38,1303 1.288,1304 0.511,1305 1.322,1306 1.069,1307 1.018,1308 1.297,1309 1.216,1310 0.38,1311 1.247,1312 4.317,1314 5.645,1316 7.179,1318 8.803,1320 10.47,1328 1.731,1340 37.838,1341 65.966,1342 137.264,1343 195.702,1344 249.702,1345 263.212,1346 267.212,1347 32.512,1348 8.856,1349 7.76,1350 7.76,1351 36,1352 12.722,1353 5.087,1354 4.129,1355 41.608,1356 153,1357 140,1358 0.128,1359 226.785,1360 373.04,1361 545.116,1362 110559,1364 21.33,1365 0.667,1366 0.561,1367 21.33,1368 17.961,1369 15.798,1370 0.427,1371 0.305,1372 11.209,1373 15.599,1374 10.945,1375 9.087,1376 15.798,1377 11.271,1378 14.317,1379 0.275,1380 0.168,1381 14.317,1382 8.732,1383 12.46,1384 0.178,1385 0.092,1386 12.46,1387 6.413,1388 10.829,1389 0.115,1390 0.05,1391 10.829,1392 4.734,1393 9.461,1394 0.075,1395 0.028,1396 9.461,1397 3.513,1398 0.207,1399 96.012,1400 0.195,1401 30.407,1402 0.337,1403 178,1404 352.666,1405 182.163,1406 366.592,1407 531.72,1408 348,1409 211,1410 414.507,1411 216.662,1412 432.866,1413 630.72,1414 410,1415 6.324}
{0 CHEMBL1677,1 1.292,2 5.667,3 2.79,4 7.784,5 61.738,6 6.838,7 0.647,8 3.465,9 3.597,10 2.981,11 3.087,12 4.468,13 3.037,14 4.005,15 4.181,16 3.34,17 3.508,18 4.912,19 3.426,20 4.293,21 4.528,22 3.418,23 3.619,24 5.175,25 3.515,26 4.251,27 4.496,28 3.219,29 3.494,30 5.195,31 3.369,32 4.134,33 4.404,34 2.829,35 3.314,36 4.974,37 3.14,38 3.929,39 4.232,40 2.279,41 3.03,42 4.575,43 2.778,44 3.581,45 3.932,46 1.535,47 2.523,48 4.06,49 2.196,50 2.85,51 3.248,52 0.463,53 1.614,54 3.178,55 1.228,56 0.036,57 0.42,58 6.456,59 2.704,60 5.514,61 3.808,62 0.05,63 0.695,64 11.492,65 4.918,66 6.662,67 6.976,68 0.101,69 0.901,70 16.162,71 6.145,72 13.329,73 8.992,74 0.158,75 0.872,76 15.775,77 5.427,78 21.069,79 8.066,80 0.128,81 0.738,82 14.207,83 4.978,84 18.61,85 7.398,86 0.07,87 0.548,88 11.601,89 4.743,90 11.675,91 6.895,92 0.044,93 0.355,94 8.37,95 3.494,96 7.42,97 5.108,98 0.025,99 0.155,100 4.079,101 1.614,102 3.937,103 2.406,104 2,105 24,106 0.249,107 0.63,108 0.737,109 0.83,110 0.87,111 0.87,112 2.799,113 0.974,114 -3.44,115 -3.42,116 -3.27,121 44.8,123 4,144 4,145 2,146 1,148 2,165 1,166 1,167 1,176 8,180 4,185 2,187 9,189 2,192 4,197 2,200 6,203 2,206 2,208 1,209 1,211 4,214 6,216 4,224 2,227 8,229 2,239 6,251 2,281 142,282 10.414,283 10.414,284 10.414,285 10.414,286 10.414,287 9.074,288 7.039,289 6.183,290 10.479,291 8.4,292 8.4,293 8.4,294 8.4,295 8.4,296 6.368,297 3.386,298 2.924,299 8.526,300 3.566,301 1.586,302 1.034,303 0.552,304 0.345,305 0.345,306 3.476,311 1,312 1,313 189,314 1.581,318 70.902,322 78.581,325 0.889,326 8.084,329 1,330 0.67,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.83,337 31,338 85,339 4.625,340 3.333,341 6.769,342 4.185,343 3.203,344 4.554,346 11.036,347 3.144,348 3.912,349 2.662,350 5.982,351 3.524,352 2.532,353 3.433,355 8.37,356 2.512,357 3.472,358 2.246,359 5.279,360 3.048,361 2.087,362 2.852,364 6.329,365 2.003,366 2.935,367 1.571,368 4.116,369 2.509,370 1.518,371 2.139,373 3.329,374 1.502,375 2.583,376 1.439,377 3.757,378 2.345,379 1.347,380 1.61,382 3.225,383 1.343,384 2.486,385 1.35,386 3.594,387 2.242,388 1.247,389 1.486,391 2.902,392 1.24,393 1.95,394 0.916,395 3.39,396 1.744,397 0.764,398 0.883,400 1.804,401 0.748,402 1.337,403 0.121,404 2.843,405 0.95,411 0.916,412 -0.404,413 2.404,414 0.538,415 -0.445,416 -0.568,418 -1.091,419 -0.436,420 0.57,421 -0.625,422 2,423 0.139,424 -0.84,425 -0.933,427 -1.977,428 -0.82,429 0.263,430 -0.826,431 2,432 0.117,433 -0.879,434 -1.209,436 -2.123,437 -0.876,438 0.116,439 -1.1,440 1.541,441 -0.219,442 -1.205,443 -1.584,445 -3.218,446 -1.189,447 -0.222,448 -1.381,449 1.455,450 -0.556,451 -1.528,452 -1.905,454 -4.317,455 -1.488,456 -0.5,457 -1.728,458 1.184,459 -0.825,460 -1.802,461 -2.198,463 -5.194,464 -1.735,465 -0.5,466 -1.814,467 1.048,468 -1,469 -2,470 -2.561,472 -5.661,473 -1.947,474 7.3,475 0.487,476 0.312,477 0.021,478 19.75,479 1.317,480 10.5,481 0.7,482 9.25,483 0.617,484 10.241,485 0.683,486 15.5,487 0.534,488 10.417,489 0.694,490 3.526,491 0.235,492 3.834,493 0.256,494 0.055,496 0.342,501 1.065,502 1.004,503 0.879,504 0.897,505 1.144,506 0.877,507 0.682,508 1.174,509 0.871,510 1.063,511 0.6,512 0.996,513 1.003,514 1.135,515 0.877,516 0.974,517 0.816,518 0.926,519 1.531,520 1.104,521 1.17,522 1.054,523 1.404,524 1.078,525 1.659,526 0.941,527 1.29,528 1.034,529 1.729,530 1.116,531 0.696,532 0.919,533 1.111,534 1.113,535 0.948,536 1.139,537 0.249,538 0.81,539 0.866,540 0.982,541 0.393,542 0.974,543 0.175,544 0.57,545 0.61,546 0.691,547 0.266,548 0.685,549 2,551 1.778,552 1.188,553 1.08,554 0.236,555 0.078,559 1569,560 3058,561 2.186,562 48.3,563 6,564 4,567 2,568 2,572 1.537,573 2.093,574 2.568,575 0.366,579 1,582 37.473,583 1.292,584 3.272,585 3.823,586 4.306,587 4.513,588 4.513,589 1.933,590 3.107,591 3.886,592 2.554,593 268.133,594 6.537,595 2131.14,597 1,600 140.881,601 1.231,602 3.859,603 0.118,605 0.074,606 0.047,607 0.057,608 0.02,609 0.013,613 0.329,614 1,615 1,616 0.521,617 56.365,618 -0.102,619 0.119,620 0.041,621 0.112,622 -0.106,623 0.092,624 0.079,625 -0.146,626 0.051,627 -0.051,628 0.09,629 -0.011,630 0.059,631 -0.133,632 0.09,633 -0.012,634 0.107,635 0.032,636 -0.083,637 -0.054,638 -0.182,639 -0.142,640 -0.034,641 -0.165,642 -0.372,643 0.061,644 -0.307,645 -0.113,646 -0.36,647 -0.188,648 -0.077,649 -0.063,650 -0.157,651 -0.13,652 -0.159,653 -0.146,654 0.156,655 -0.049,656 0.101,657 0.015,658 0.081,659 0.046,660 0.288,661 0.13,662 0.394,663 0.29,664 0.236,665 0.34,666 0.713,667 2.2,668 0.933,669 6.373,670 0.983,671 1.12,672 2.209,673 4.878,674 0.675,675 2.89,676 3.219,677 3.555,678 3.85,679 4.111,680 4.111,681 4.174,682 4.205,683 4.205,684 3.807,685 3.459,686 0.628,687 198.29,688 2.89,689 4.419,690 5.293,691 6.184,692 7.076,693 7.974,694 8.871,695 9.771,696 10.669,697 11.57,698 6.9,702 1,708 1,714 2,715 4,716 1,720 3,722 11,733 1,741 29,743 11,744 1,745 17,747 31,748 13,749 9,750 2,751 4,756 3,757 6,767 4,770 4,772 9,773 4,790 1,793 14,794 2,795 2,796 2,802 2,808 0.333,822 1,829 3,833 2,859 1,868 15,869 1,876 4,901 7.167,902 5.117,903 3.278,904 1.933,907 2.411,908 1.378,909 1.052,910 1.962,911 8.783,912 3.157,913 3.818,914 4.494,915 5.135,916 5.749,917 6.056,918 6.403,919 6.723,920 7.009,921 6.654,922 0.75,923 25,924 5.555,925 -0.001,926 2.393,927 0.026,929 7.456,931 11.045,933 9.542,936 1.956,937 29.333,938 0.009,941 141.253,942 61.459,943 49.683,948 61.459,949 141.253,950 49.683,952 10.138,953 70.802,954 16.786,955 13.416,957 141.253,959 141.253,960 111.142,964 141.253,968 15.039,969 79.317,970 16.786,972 141.253,973 49.683,974 61.459,977 141.253,978 23.554,979 37.905,981 49.683,982 141.253,983 49.683,984 61.459,986 0.58,987 0.358,988 0.208,989 0.115,990 14,991 5,994 2,995 1.286,996 2.744,997 106.595,998 0.286,999 14,1000 58.603,1005 8.87,1006 3.318,1007 1.331,1008 2.147,1009 49.683,1010 8.146,1011 4.697,1015 3.465,1017 32.897,1018 252.395,1019 22.5,1031 28.505,1032 32.488,1034 0.266,1035 0.673,1036 0.787,1037 0.886,1038 0.929,1039 0.929,1040 4.379,1042 5.273,1043 1.804,1044 3.892,1045 4.5,1047 6.12,1048 3.859,1049 5.595,1050 -0.445,1051 6.849,1053 3.434,1054 4.407,1056 7.091,1057 3.374,1058 6.922,1059 -0.84,1060 8.534,1061 -1.091,1062 5.501,1063 6.825,1065 10.251,1066 5.434,1067 8.294,1068 -0.879,1069 10.285,1070 -1.977,1071 5.916,1072 7.603,1074 12.062,1075 5.821,1076 9.703,1077 -1.205,1078 12.078,1079 -2.123,1080 7.434,1081 9.484,1083 14.733,1084 7.331,1085 11.138,1086 -1.528,1087 13.897,1088 -3.218,1089 8.26,1090 10.659,1092 16.874,1093 8.13,1094 12.594,1095 -1.802,1096 15.736,1097 -4.317,1098 9.554,1099 12.324,1101 19.377,1102 9.414,1103 3.203,1104 -2,1105 17.588,1106 -5.194,1107 10.567,1108 13.684,1110 21.66,1111 10.403,1112 2.532,1113 11.036,1114 19.45,1115 -5.661,1116 11.774,1117 15.259,1119 24.1,1120 11.595,1121 2.087,1122 8.37,1123 21.32,1124 4.554,1125 12.87,1126 16.705,1128 26.445,1129 12.669,1130 1.518,1131 6.329,1132 23.196,1133 3.433,1134 14.045,1135 18.243,1137 28.861,1138 13.827,1139 1.347,1140 3.329,1141 25.077,1142 2.852,1143 15.178,1144 19.727,1146 31.236,1147 14.938,1148 1.247,1149 3.225,1150 26.963,1151 2.139,1152 16.343,1153 21.251,1155 33.642,1156 16.085,1157 0.764,1158 2.902,1159 28.852,1160 1.61,1161 17.491,1162 22.752,1164 36.03,1165 17.214,1166 1532,1167 2205,1168 11.731,1169 19.58,1170 25.424,1171 25.621,1172 26.284,1173 25.44,1174 25.399,1175 33.915,1177 73.989,1178 24.983,1179 5.57,1180 5.333,1181 6.454,1182 5.226,1183 5.203,1184 7.554,1186 18.567,1187 5.144,1188 3.991,1189 1.496,1190 1.507,1191 1.546,1192 1.496,1193 1.494,1194 1.995,1196 4.352,1197 1.47,1198 4.105,1199 4.135,1200 4.065,1201 4.034,1202 5.144,1203 4.038,1204 3.732,1205 3.781,1206 3.617,1207 3.65,1208 4.781,1209 3.636,1210 3.303,1211 3.374,1212 3.173,1213 3.168,1214 4.39,1215 3.161,1216 3.141,1217 3.22,1218 3.016,1219 2.97,1220 3.981,1221 2.968,1222 2.923,1223 3.019,1224 2.717,1225 2.763,1226 3.678,1227 2.743,1228 2.715,1229 2.833,1230 2.513,1231 2.547,1232 3.439,1233 2.531,1234 2.638,1235 2.709,1236 2.467,1237 2.355,1238 3.238,1239 2.37,1240 2.042,1241 2.187,1242 1.78,1243 1.718,1244 2.942,1245 1.706,1246 0.272,1247 0.196,1248 0.398,1249 0.246,1250 0.188,1251 4.625,1252 0.268,1253 3.333,1255 6.769,1256 0.649,1257 4.185,1258 0.185,1259 3.203,1260 4.554,1262 11.036,1263 3.144,1264 2.069,1265 2.043,1266 2.156,1267 2.158,1268 1.427,1269 2.159,1270 1.754,1271 1.709,1272 1.949,1273 1.872,1274 1.139,1275 1.902,1276 1.293,1277 1.236,1278 1.507,1279 1.493,1280 0.754,1281 1.503,1282 1.134,1283 1.059,1284 1.436,1285 1.349,1286 0.606,1287 1.381,1288 0.93,1289 0.857,1290 1.201,1291 1.179,1292 0.248,1293 1.196,1294 0.699,1295 0.623,1296 1.08,1297 1.002,1298 0.168,1299 1.039,1300 0.632,1301 0.509,1302 0.957,1303 0.852,1305 0.897,1306 0.058,1308 0.674,1309 0.452,1311 0.537,1312 3.555,1314 4.875,1316 6.435,1318 8.104,1320 9.827,1326 6.2,1328 4.679,1340 18.204,1341 37.473,1342 94.881,1343 110.881,1344 124.881,1345 130.881,1346 130.881,1347 15.467,1348 6.372,1349 38.91,1350 38.91,1351 18,1352 12.092,1353 3.585,1354 2.7,1355 19.787,1356 34,1357 20,1358 0.336,1359 112.242,1360 183.38,1361 265.631,1362 4073,1364 10.251,1365 0.683,1366 0.577,1367 10.251,1368 8.662,1369 7.36,1370 0.433,1371 0.325,1372 5.496,1373 7.266,1374 5.378,1375 4.446,1376 7.36,1377 5.52,1378 6.512,1379 0.271,1380 0.174,1381 6.512,1382 4.175,1383 5.892,1384 0.173,1385 0.095,1386 5.892,1387 3.213,1388 5.149,1389 0.112,1390 0.052,1391 5.149,1392 2.41,1393 4.302,1394 0.072,1395 0.03,1396 4.302,1397 1.792,1398 0.482,1399 44.858,1400 0.292,1401 14.609,1402 1.061,1403 82,1404 170.957,1405 85.081,1406 175.561,1407 253.61,1408 166,1409 99,1410 198.662,1411 102.497,1412 204.556,1413 302.82,1414 195,1415 6.688}
{0 CHEMBL1678,1 1.347,2 12.464,3 4.57,4 20.882,5 112.114,6 6.659,7 0.387,8 4.118,9 4.233,10 3.6,11 3.668,12 5.094,13 3.624,14 4.715,15 4.897,16 3.939,17 4.093,18 5.587,19 4.023,20 4.985,21 5.193,22 4.026,23 4.27,24 5.861,25 4.157,26 5.118,27 5.37,28 3.922,29 4.265,30 5.931,31 4.118,32 5.088,33 5.345,34 3.888,35 4.209,36 5.913,37 4.067,38 5.014,39 5.26,40 3.775,41 4.172,42 5.874,43 4.01,44 4.976,45 5.253,46 3.558,47 4.035,48 5.77,49 3.848,50 4.728,51 5,52 3.41,53 3.824,54 5.464,55 3.65,56 0.037,57 0.759,58 13.195,59 5.924,60 8.463,61 7.879,62 0.225,63 1.297,64 25.247,65 9.862,66 21.166,67 13.447,68 0.316,69 1.645,70 33.172,71 13.287,72 30.049,73 18.393,74 0.314,75 1.782,76 38.591,77 14.774,78 44.699,79 20.73,80 0.48,81 1.693,82 37.974,83 14.018,84 48.792,85 19.63,86 0.399,87 1.603,88 34.808,89 13.491,90 47.986,91 18.858,92 0.405,93 1.493,94 34.009,95 12.529,96 51.182,97 17.784,98 0.212,99 1.174,100 26.156,101 10.06,102 27.664,103 14.229,104 14,105 43,106 0.222,107 0.521,108 0.732,109 0.799,110 0.813,111 0.818,112 3.374,113 0.99,114 -4.75,115 -4.66,116 -4.38,121 42.1,123 4,124 2,126 2,127 3,144 7,145 3,146 2,159 1,176 15,180 7,187 17,191 1,192 11,200 12,206 8,214 8,218 1,219 7,227 11,231 1,232 3,239 11,243 1,244 4,251 7,256 6,264 6,269 1,277 7,281 1222,282 19.342,283 19.342,284 19.342,285 19.342,286 19.342,287 17.799,288 24.383,289 11.379,290 19.77,291 15.198,292 15.198,293 15.198,294 15.198,295 15.198,296 12.71,297 28.856,298 5.286,299 15.672,300 4.486,301 2.67,302 1.393,303 0.987,304 0.904,305 0.869,306 4.073,311 1,312 1,313 759,314 2.915,317 64.284,318 273.802,321 122.054,325 2.036,326 21.84,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 59.5,338 349,339 4.528,340 3.793,341 6.724,342 4.227,343 3.222,344 4.173,345 1.277,346 10.926,347 3.24,348 4.019,349 3.184,350 6.107,351 3.734,352 2.772,353 3.457,354 0.916,355 8.884,356 2.669,357 3.94,358 3.017,359 5.642,360 3.649,361 2.69,362 3.385,363 0.86,364 7.815,365 2.579,366 3.611,367 2.581,368 5.522,369 3.45,370 2.457,371 2.67,372 0.86,373 7.28,374 2.432,375 3.322,376 2.549,377 5.236,378 3.084,379 2.124,380 2.502,381 0.172,382 6.315,383 2.031,384 3.193,385 2.283,386 4.977,387 2.904,388 1.909,389 2.309,391 5.772,392 1.89,393 2.991,394 2.194,395 4.845,396 2.74,397 1.768,398 2.101,400 5.339,401 1.718,402 2.812,403 1.823,404 4.248,405 2.411,406 1.418,407 1.893,409 3.522,410 1.407,411 2.515,412 1.511,413 3.593,414 2.273,415 1.334,416 1.5,418 3.037,419 1.234,420 2.5,421 1.284,422 3.414,423 2,424 1,425 1.478,427 2.275,428 1,429 2,430 1.077,431 3.277,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.908,439 1.012,440 3.247,441 1.555,442 0.591,443 0.726,445 1.256,446 0.559,447 1.486,448 1,449 2.972,450 1.263,451 0.376,452 0.407,454 0.663,455 0.322,456 1.355,457 0.515,458 2.793,459 1.195,460 0.259,461 0.276,463 0.477,464 0.246,465 1.123,466 0.4,467 2.693,468 0.879,469 -0.101,470 -0.114,472 -0.239,473 -0.098,474 13.4,475 0.479,476 0.585,477 0.021,478 32,479 1.143,480 14.5,481 0.518,482 17.5,483 0.625,484 27.033,485 0.965,486 31,487 0.544,488 22.051,489 0.788,490 6.083,491 0.217,492 7.591,493 0.271,494 0.1,496 0.328,501 0.754,502 1.294,503 0.871,504 1.179,505 0.562,506 1.059,507 1.18,508 0.971,509 0.997,510 0.923,511 0.714,512 0.926,513 0.788,514 1.172,515 1.032,516 1.161,517 0.841,518 1.128,519 0.933,520 1.08,521 1.007,522 1.073,523 1.166,524 1.052,525 1.048,526 0.92,527 0.976,528 0.926,529 1.007,530 0.939,531 0.887,532 1.096,533 1.095,534 1.116,535 1.236,536 1.131,537 1.011,538 0.951,539 1.053,540 0.965,541 1.489,542 1.01,543 0.828,544 1.039,545 0.954,546 1.035,547 1.008,548 1.017,549 5.5,550 0.172,551 2.667,552 2.076,553 1.578,554 0.997,555 0.579,556 0.298,557 0.246,558 0.117,559 10824,560 23969,561 2.115,562 50.9,563 5,564 19,568 1,569 4,572 1.705,573 2,574 3.592,575 -0.848,582 76.799,583 1.347,584 3.163,585 4.439,586 4.846,587 4.929,588 4.964,589 3.101,590 4.45,591 4.776,592 3.771,593 1425.27,594 8.278,595 19311.7,597 1,600 332.475,601 1.333,602 4.748,603 0.177,604 0.008,605 0.062,606 0.047,607 0.042,608 0.027,609 0.018,610 0.012,611 0.011,612 0.005,613 0.41,614 0.33,615 1,616 0.789,617 142.641,618 0.021,619 -0.118,620 0.074,621 -0.051,622 0.037,623 0.007,624 -0.129,625 0.139,626 -0.008,627 0.108,628 -0.021,629 0.075,630 0.073,631 -0.122,632 -0.068,633 -0.136,634 0.057,635 -0.12,636 -0.029,637 -0.1,638 -0.034,639 -0.091,640 -0.037,641 -0.067,642 0.02,643 0.046,644 0.018,645 0.04,646 0.019,647 0.031,648 0.027,649 -0.118,650 -0.125,651 -0.126,652 -0.016,653 -0.142,654 -0.043,655 -0.008,656 -0.07,657 -0.012,658 -0.117,659 -0.042,660 -0.001,661 -0.097,662 0.01,663 -0.062,664 -0.074,665 -0.031,666 1.386,667 5.937,668 0.75,669 30.378,670 0.99,671 1.122,672 3.516,673 12.363,674 0.65,675 3.466,676 3.784,677 4.078,678 4.344,679 4.585,680 4.644,681 4.804,682 4.92,683 4.927,684 4.984,685 7.272,686 0.606,687 379.54,688 3.466,689 5.004,690 5.861,691 6.739,692 7.614,693 8.5,694 9.383,695 10.273,696 11.162,697 12.056,698 1.8,701 1,715 7,720 5,722 12,727 1,739 2,741 57,743 13,744 2,745 31,747 60,748 24,749 12,750 5,751 7,752 1,756 4,757 5,767 3,768 2,770 4,772 13,773 11,774 2,777 1,782 1,786 1,790 1,793 29,794 4,796 4,802 1,808 0.75,809 3,828 1,829 3,832 1,855 1,859 3,864 2,868 28,876 7,878 2,880 2,881 1,893 5.3,896 1,898 2,901 14,902 10.7,903 6.278,904 3.557,907 2.118,908 1.274,909 0.966,910 5.911,911 9.852,912 3.664,913 4.19,914 4.718,915 5.212,916 5.705,917 5.825,918 6.055,919 6.196,920 6.197,921 6.245,922 1,923 44,924 10.431,926 4.431,927 0.026,929 7.542,931 20.613,933 17.5,936 2.042,937 57.167,939 1,940 1,941 341.362,942 129.732,943 3.124,945 47.145,948 129.732,949 388.507,950 3.124,951 21.766,952 16.455,953 66.334,954 30.278,955 45.168,957 341.362,959 341.362,960 132.856,961 47.145,964 294.278,965 94.229,968 19.58,969 113.277,972 341.362,973 50.269,974 129.732,977 341.362,978 41.632,979 91.224,981 47.145,982 341.362,983 50.269,984 129.732,986 0.574,987 0.347,988 0.19,989 0.106,990 21,991 9,992 0.1,993 6,994 1,995 1.095,996 4.066,997 240.338,998 0.095,999 21,1000 126.606,1005 19.322,1006 8.566,1007 4.224,1009 50.269,1010 14.516,1015 4.664,1018 521.363,1019 38,1024 12.937,1028 0.28,1031 56.454,1032 63.939,1034 0.231,1035 0.542,1036 0.761,1037 0.831,1038 0.845,1039 0.851,1040 4.913,1041 1.418,1042 5.838,1043 5.339,1044 4.466,1045 4.875,1046 2.166,1047 6.645,1048 4.419,1049 6.079,1050 1.334,1051 7.392,1052 3.522,1053 4.007,1054 4.59,1055 0.325,1056 7.513,1057 3.955,1058 7.368,1059 1,1060 9.043,1061 3.037,1062 6.057,1063 6.952,1064 2.248,1065 10.615,1066 5.982,1067 8.689,1068 1,1069 10.752,1070 2.275,1071 6.431,1072 7.499,1073 0.393,1074 12.316,1075 6.358,1076 10.045,1077 0.591,1078 12.498,1079 2.136,1080 7.928,1081 9.348,1082 2.486,1083 14.934,1084 7.843,1085 11.425,1086 0.376,1087 14.269,1088 1.256,1089 8.698,1090 10.295,1091 0.384,1092 17.006,1093 8.622,1094 12.825,1095 0.259,1096 16.061,1097 0.663,1098 9.972,1099 11.925,1100 2.829,1101 19.46,1102 9.893,1103 3.222,1104 -0.101,1105 17.867,1106 0.477,1107 10.937,1108 13.083,1109 0.351,1110 21.702,1111 10.871,1112 2.772,1113 10.926,1114 19.687,1115 -0.239,1116 12.123,1117 14.607,1118 3.238,1119 24.103,1120 12.061,1121 2.69,1122 8.884,1123 21.518,1124 4.173,1125 13.182,1126 15.881,1127 0.312,1128 26.422,1129 13.136,1130 2.457,1131 7.815,1132 23.358,1133 3.457,1134 14.337,1135 17.353,1136 3.684,1137 28.808,1138 14.3,1139 2.124,1140 7.28,1141 25.206,1142 3.385,1143 15.444,1144 18.692,1145 0.273,1146 31.163,1147 15.422,1148 1.909,1149 6.315,1150 27.062,1151 2.67,1152 16.592,1153 20.138,1154 4.15,1155 33.546,1156 16.581,1157 1.768,1158 5.772,1159 28.923,1160 2.502,1161 17.723,1162 21.515,1163 0.236,1164 35.918,1165 17.727,1166 10236,1167 15342,1168 20.978,1169 37.029,1170 46.039,1171 47.662,1172 47.516,1173 45.747,1174 45.84,1175 55.754,1176 8.173,1177 131.39,1178 44.618,1179 5.528,1180 5.793,1181 6.526,1182 5.262,1183 5.222,1184 7.173,1185 2.555,1186 18.021,1187 5.24,1188 12.089,1189 1.485,1190 1.537,1191 1.533,1192 1.476,1193 1.479,1194 1.799,1195 0.264,1196 4.238,1197 1.439,1198 4.062,1199 4.085,1200 4.009,1201 3.985,1202 7.426,1203 3.987,1204 3.936,1205 3.973,1206 3.858,1207 3.86,1208 4.915,1209 3.854,1210 3.808,1211 3.854,1212 3.698,1213 3.702,1214 4.755,1215 3.694,1216 3.557,1217 3.589,1218 3.47,1219 3.388,1220 4.495,1221 3.4,1222 3.278,1223 3.346,1224 3.134,1225 3.091,1226 4.346,1227 3.092,1228 3.25,1229 3.315,1230 3.062,1231 2.963,1232 4.269,1233 2.973,1234 3.111,1235 3.206,1236 2.899,1237 2.941,1238 3.875,1239 2.91,1240 3.099,1241 3.18,1242 2.866,1243 2.896,1244 3.675,1245 2.884,1246 0.146,1247 0.122,1248 0.217,1249 0.136,1250 0.104,1251 4.528,1252 0.135,1253 3.793,1254 0.041,1255 6.724,1256 0.352,1257 4.227,1258 0.105,1259 3.222,1260 4.173,1261 1.277,1262 10.926,1263 3.24,1264 1.935,1265 1.897,1266 2.102,1267 2.068,1268 1.494,1269 2.082,1270 1.881,1271 1.872,1272 2.016,1273 1.978,1274 1.213,1275 1.979,1276 1.848,1277 1.804,1278 1.956,1279 1.955,1280 1.14,1281 1.967,1282 1.571,1283 1.523,1284 1.776,1285 1.746,1286 1.053,1287 1.758,1288 1.237,1289 1.185,1290 1.575,1291 1.523,1292 0.825,1293 1.539,1294 1.221,1295 1.159,1296 1.569,1297 1.521,1298 0.736,1299 1.534,1300 1.183,1301 1.104,1302 1.513,1303 1.424,1304 0.589,1305 1.447,1306 1.153,1307 1.064,1308 1.482,1309 1.376,1310 0.574,1311 1.429,1312 4.143,1314 5.46,1315 2.398,1316 6.976,1317 4.844,1318 8.58,1319 7.018,1320 10.229,1322 3.256,1328 7.459,1330 10.774,1332 0.747,1333 2.535,1340 34.541,1341 76.799,1342 180.309,1343 253.049,1344 276.21,1345 280.965,1346 282.965,1347 48.398,1348 7.735,1349 38.77,1350 38.77,1351 23,1352 12.583,1353 3.807,1354 3,1355 42.739,1356 123,1357 122,1358 0.17,1359 209.704,1360 371.41,1361 503.439,1362 25383,1364 19.51,1365 0.697,1366 0.601,1367 19.51,1368 16.818,1369 13.673,1370 0.441,1371 0.33,1372 10.101,1373 13.201,1374 9.796,1375 8.118,1376 13.673,1377 10.23,1378 11.949,1379 0.278,1380 0.188,1381 11.949,1382 8.07,1383 10.52,1384 0.181,1385 0.108,1386 10.52,1387 6.286,1388 8.695,1389 0.114,1390 0.062,1391 8.695,1392 4.712,1393 7.231,1394 0.075,1395 0.037,1396 7.231,1397 3.566,1398 0.273,1399 85.461,1400 0.218,1401 27.153,1402 0.45,1403 148,1404 378.852,1405 157.942,1406 359.828,1407 491.35,1408 340,1409 175,1410 350.84,1411 186.08,1412 360.357,1413 524.86,1414 336,1415 7.716}
{0 CHEMBL172118,1 1.46,2 6.118,3 3.341,4 11.162,5 69.263,6 8.158,7 0.55,8 3.535,9 3.649,10 3.202,11 3.21,12 4.536,13 3.164,14 4.119,15 4.267,16 3.667,17 3.706,18 5.052,19 3.634,20 4.419,21 4.634,22 3.652,23 3.773,24 5.325,25 3.654,26 4.304,27 4.544,28 3.519,29 3.595,30 5.278,31 3.487,32 4.145,33 4.367,34 3.357,35 3.452,36 5.161,37 3.314,38 4.025,39 4.29,40 2.899,41 3.251,42 4.774,43 3.03,44 3.713,45 4.018,46 2.626,47 2.826,48 4.371,49 2.545,50 3.041,51 3.342,52 1.736,53 2.055,54 3.819,55 1.699,56 0.026,57 0.424,58 5.523,59 2.638,60 5.266,61 3.548,62 0.028,63 0.742,64 11.141,65 5.25,66 8.114,67 7.148,68 0.106,69 0.977,70 19.81,71 7.338,72 17.403,73 9.994,74 0.176,75 0.904,76 17.923,77 6.014,78 23.687,79 8.192,80 0.203,81 0.742,82 14.888,83 4.988,84 27.685,85 6.815,86 0.105,87 0.59,88 16.16,89 5.619,90 17.035,91 7.667,92 0.071,93 0.393,94 13.393,95 4.492,96 10.912,97 6.145,98 0.099,99 0.153,100 11.634,101 2.504,102 11.115,103 3.139,104 5,105 31,106 0.277,107 0.664,108 0.765,109 0.856,110 0.881,111 0.881,112 2.913,113 0.975,114 -4.23,115 -4.17,116 -3.94,121 46.7,123 3,124 2,144 3,145 2,146 2,148 2,165 1,166 1,167 1,176 8,180 4,185 2,187 13,189 2,192 5,197 2,200 7,203 2,206 1,208 1,209 1,211 4,214 6,216 4,219 1,224 3,227 10,229 3,239 6,251 4,264 1,281 203,282 11.602,283 11.602,284 11.602,285 11.602,286 11.602,287 10.286,288 11.066,289 6.486,290 11.8,291 9.877,292 9.877,293 9.877,294 9.877,295 9.877,296 7.826,297 8.439,298 3.1,299 10.264,300 3.447,301 1.409,302 0.875,303 0.4,304 0.267,305 0.267,306 3.607,308 1,311 1,312 1,313 240,314 2,317 44.531,318 79.439,321 37.74,322 88.096,325 0.962,326 12.11,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 35.333,338 104,339 4.707,340 3.56,341 7.038,342 4.356,343 3.37,344 4.598,346 12.064,347 3.323,348 4.169,349 3.036,350 6.319,351 3.827,352 2.845,353 3.662,355 9.531,356 2.792,357 3.569,358 2.659,359 5.7,360 3.228,361 2.266,362 2.914,364 7.43,365 2.184,366 3.507,367 2.435,368 5.092,369 3.047,370 2.144,371 2.875,373 6.004,374 1.897,375 2.979,376 1.89,377 4.937,378 2.735,379 1.767,380 2.05,382 5.46,383 1.651,384 2.84,385 1.671,386 4.802,387 2.577,388 1.592,389 1.907,391 4.888,392 1.562,393 2.283,394 0.989,395 3.781,396 1.9,397 0.921,398 1.22,400 2.399,401 0.897,402 1.692,403 0.693,404 3.273,405 1.658,406 0.663,407 0.675,409 1.637,410 0.658,411 1.433,412 0.506,413 3.098,414 1.021,415 0.121,416 0.151,418 0.307,419 0.099,420 1.088,421 -0.003,422 2.808,423 0.69,424 -0.244,425 -0.301,427 -0.685,428 -0.208,429 0.64,430 -0.455,431 2.358,432 0.175,433 -0.754,434 -0.963,436 -2.158,437 -0.589,438 0.343,439 -0.768,440 2.258,441 -0.013,442 -0.922,443 -1.152,445 -2.659,446 -0.854,447 -0.041,448 -1.013,449 2.141,450 -0.301,451 -1.254,452 -1.392,454 -3.523,455 -1.147,456 -0.224,457 -1.186,458 1.827,459 -0.502,460 -1.377,461 -1.593,463 -3.932,464 -1.324,465 -0.281,466 -1.391,467 1.398,468 -0.516,469 -1.493,470 -1.832,472 -4.59,473 -1.461,474 8.514,475 0.501,476 0.521,477 0.031,478 21.5,479 1.265,480 10.5,481 0.618,482 11,483 0.647,484 13.601,485 0.8,486 17.286,487 0.576,488 11.427,489 0.672,490 3.545,491 0.209,492 4.692,493 0.276,494 0.131,496 0.47,501 0.746,502 0.934,503 0.582,504 0.735,505 0.873,506 0.755,507 0.552,508 1.106,509 0.602,510 0.902,511 0.45,512 0.89,513 0.881,514 1.238,515 0.876,516 1.073,517 0.774,518 1.043,519 1.131,520 0.983,521 0.808,522 0.825,523 1.19,524 0.867,525 1.024,526 1.036,527 0.943,528 1.071,529 1.25,530 1.154,531 0.908,532 0.905,533 1.112,534 1.104,535 1.04,536 1.139,537 0.798,538 0.855,539 1.052,540 0.982,541 0.778,542 0.984,543 2.69,544 0.512,545 3.048,546 1.423,547 2.184,548 1.152,549 3.5,551 2.222,552 1.347,553 1.511,554 0.424,555 0.202,556 0.088,557 0.02,559 2308,560 5511,561 2.231,562 43.3,563 7,564 3,567 2,568 1,572 1.575,573 2.082,574 2.646,575 0.353,577 1,578 1,579 1,582 43.798,583 1.46,584 3.498,585 4.031,586 4.507,587 4.64,588 4.64,589 2.133,590 3.735,591 4.066,592 2.683,593 364.915,594 6.899,595 3104.35,596 1,597 1,599 1,600 147.207,601 1.402,602 4.021,603 0.175,605 0.072,606 0.048,607 0.063,608 0.025,609 0.02,610 0.018,611 0.02,613 0.441,614 1,615 1,616 0.604,617 67.223,618 -0.087,619 0.152,620 0.013,621 0.122,622 -0.088,623 0.105,624 0.038,625 -0.097,626 0.051,627 -0.002,628 0.138,629 0.021,630 -0.018,631 -0.254,632 -0.039,633 -0.14,634 0.051,635 -0.098,636 -0.059,637 0.081,638 0.016,639 0.077,640 -0.062,641 0.051,642 0.034,643 0.018,644 -0.098,645 -0.171,646 -0.019,647 -0.247,648 -0.067,649 -0.036,650 -0.076,651 -0.076,652 -0.161,653 -0.104,654 0.137,655 -0.076,656 0.21,657 0.129,658 0.037,659 0.129,660 -0.422,661 0.158,662 -0.488,663 -0.103,664 -0.392,665 0.033,666 0.936,667 2.327,668 0.882,669 7.702,670 0.994,671 1.114,672 2.996,673 8.977,674 0.715,675 3.045,676 3.466,677 3.85,678 4.234,679 4.511,680 4.644,681 4.804,682 4.956,683 5.03,684 4.875,685 3.712,686 0.668,687 244.74,688 3.045,689 4.635,690 5.549,691 6.488,692 7.42,693 8.362,694 9.301,695 10.245,696 11.187,697 12.131,698 6.7,702 1,708 1,714 2,715 3,716 1,720 4,722 11,733 1,740 1,741 30,743 11,744 1,745 20,747 33,748 14,749 9,750 3,751 3,756 4,757 10,758 1,767 3,768 2,770 3,772 9,773 5,774 2,790 1,793 13,794 2,795 2,796 3,797 1,802 2,808 0.25,822 1,828 2,829 3,832 1,833 2,859 1,865 1,868 17,869 1,876 3,880 2,892 1,901 8.167,902 5.343,903 3.5,904 1.997,907 2.411,908 1.341,909 1.074,910 1.864,911 9.492,912 3.277,913 3.98,914 4.663,915 5.335,916 5.97,917 6.37,918 6.805,919 7.211,920 7.551,921 7.482,922 1,923 28,924 6.305,926 2.876,927 0.026,929 7.516,931 12.521,933 11.591,936 2.016,937 34.278,938 0.004,941 129.482,942 52.949,943 49.683,944 39.149,948 52.949,949 168.631,950 49.683,952 7.604,953 61.326,954 16.786,955 16.917,957 129.482,958 39.149,959 129.482,960 102.632,962 39.149,964 129.482,968 12.504,969 73.342,970 55.934,972 129.482,973 49.683,974 92.098,977 129.482,978 24.52,979 28.429,981 88.831,982 129.482,983 49.683,984 92.098,986 0.608,987 0.372,988 0.216,989 0.121,990 20,991 8,994 4,995 1.467,996 2.931,997 137.819,998 0.533,999 14,1000 69.487,1005 9.867,1006 3.212,1007 1.226,1008 2.002,1009 49.683,1010 5.793,1011 4.802,1015 4.221,1017 32.897,1018 271.263,1019 25.5,1031 29.829,1032 33.432,1034 0.298,1035 0.713,1036 0.822,1037 0.918,1038 0.946,1039 0.946,1040 4.572,1041 0.663,1042 5.58,1043 2.399,1044 4.143,1045 4.663,1047 6.497,1048 4.078,1049 5.815,1050 0.121,1051 7.201,1052 1.637,1053 3.892,1054 4.677,1056 7.554,1057 3.775,1058 7.165,1059 -0.244,1060 8.92,1061 0.307,1062 5.838,1063 6.979,1065 10.731,1066 5.738,1067 8.553,1068 -0.754,1069 10.694,1070 -0.685,1071 6.399,1072 7.805,1074 12.622,1075 6.274,1076 9.973,1077 -0.922,1078 12.505,1079 -2.158,1080 7.852,1081 9.628,1083 15.333,1084 7.732,1085 11.418,1086 -1.254,1087 14.342,1088 -2.659,1089 8.777,1090 10.824,1092 17.572,1093 8.643,1094 12.88,1095 -1.377,1096 16.198,1097 -3.523,1098 10.057,1099 12.464,1101 20.129,1102 9.919,1103 3.37,1104 -1.493,1105 18.07,1106 -3.932,1107 11.142,1108 13.835,1110 22.512,1111 10.993,1112 2.845,1113 12.064,1114 19.955,1115 -4.59,1116 12.364,1117 15.401,1119 25.018,1120 12.206,1121 2.266,1122 9.531,1123 21.849,1124 4.598,1125 13.516,1126 16.853,1128 27.46,1129 13.347,1130 2.144,1131 7.43,1132 23.752,1133 3.662,1134 14.722,1135 18.39,1137 29.95,1138 14.541,1139 1.767,1140 6.004,1141 25.662,1142 2.914,1143 15.904,1144 19.88,1146 32.417,1147 15.711,1148 1.592,1149 5.46,1150 27.578,1151 2.875,1152 17.107,1153 21.407,1155 34.903,1156 16.902,1157 0.921,1158 4.888,1159 29.499,1160 2.05,1161 18.304,1162 22.915,1164 37.382,1165 18.085,1166 2172,1167 3433,1168 13.641,1169 21.438,1170 31.406,1171 31.886,1172 32.285,1173 31.509,1174 31.379,1175 40.106,1177 99.441,1178 30.128,1179 5.653,1180 5.56,1181 6.34,1182 5.402,1183 5.37,1184 7.598,1186 19.708,1187 5.323,1188 6.451,1189 1.57,1190 1.594,1191 1.614,1192 1.575,1193 1.569,1194 2.005,1196 4.972,1197 1.506,1198 4.154,1199 4.182,1200 4.148,1201 4.087,1202 5.161,1203 4.089,1204 3.84,1205 3.874,1206 3.862,1207 3.779,1208 4.886,1209 3.767,1210 3.317,1211 3.376,1212 3.469,1213 3.202,1214 4.637,1215 3.196,1216 3.077,1217 3.146,1218 3.083,1219 2.916,1220 4.247,1221 2.922,1222 2.869,1223 2.964,1224 2.81,1225 2.705,1226 3.812,1227 2.675,1228 2.756,1229 2.836,1230 2.582,1231 2.615,1232 3.661,1233 2.593,1234 2.67,1235 2.797,1236 2.488,1237 2.395,1238 3.27,1239 2.382,1240 2.471,1241 2.517,1242 2.416,1243 2.3,1244 3.108,1245 2.304,1246 0.235,1247 0.178,1248 0.352,1249 0.218,1250 0.169,1251 4.707,1252 0.23,1253 3.56,1255 7.038,1256 0.603,1257 4.356,1258 0.166,1259 3.37,1260 4.598,1262 12.064,1263 3.323,1264 2.044,1265 2.025,1266 2.098,1267 2.124,1268 1.361,1269 2.12,1270 1.673,1271 1.635,1272 1.854,1273 1.783,1274 1.176,1275 1.812,1276 1.524,1277 1.469,1278 1.757,1279 1.671,1280 1.121,1281 1.704,1282 1.27,1283 1.217,1284 1.455,1285 1.462,1286 0.585,1287 1.472,1288 0.968,1289 0.913,1290 1.156,1291 1.2,1292 0.223,1293 1.197,1294 0.663,1295 0.587,1296 1.048,1297 0.989,1298 0.081,1299 1.023,1300 0.611,1301 0.522,1302 0.866,1303 0.732,1304 0.026,1305 0.768,1306 0.3,1307 0.147,1308 0.8,1309 0.659,1311 0.739,1312 3.714,1314 5.106,1315 3.045,1316 6.711,1317 5.416,1318 8.417,1319 7.545,1320 10.18,1323 6.037,1326 6.327,1328 3.801,1332 1.295,1340 20.031,1341 43.798,1342 104.942,1343 120.942,1344 135.207,1345 139.207,1346 139.207,1347 19.854,1348 7.081,1349 38.91,1350 38.91,1351 22,1352 12.624,1353 3.585,1354 2.7,1355 20.887,1356 41,1357 34,1358 0.289,1359 122.774,1360 203.53,1361 291.329,1362 9423,1363 3.3,1364 11.569,1365 0.681,1366 0.598,1367 12.069,1368 10.167,1369 8.237,1370 0.412,1371 0.325,1372 6.129,1373 7.836,1374 5.974,1375 4.856,1376 8.526,1377 6.501,1378 8.011,1379 0.258,1380 0.182,1381 8.42,1382 5.629,1383 7.326,1384 0.159,1385 0.098,1386 7.588,1387 4.518,1388 6.683,1389 0.098,1390 0.054,1391 6.902,1392 3.699,1393 5.582,1394 0.062,1395 0.029,1396 5.893,1397 2.576,1398 0.418,1399 53.295,1400 0.271,1401 16.332,1402 0.908,1403 102,1404 219.161,1405 120.6,1406 252.082,1407 350.12,1408 236,1409 128,1410 249.525,1411 141.422,1412 265.81,1413 398.15,1414 253,1415 5.959}
{0 CHEMBL172442,1 1.226,2 26.708,3 6.896,4 47.555,5 202.675,6 5.501,7 0.245,8 4.817,9 4.965,10 4.098,11 4.26,12 5.647,13 4.179,14 5.444,15 5.679,16 4.338,17 4.649,18 6.143,19 4.524,20 5.734,21 6.003,22 4.427,23 4.867,24 6.372,25 4.692,26 5.9,27 6.196,28 4.411,29 4.946,30 6.498,31 4.736,32 5.927,33 6.232,34 4.423,35 4.963,36 6.515,37 4.75,38 5.933,39 6.233,40 4.362,41 4.949,42 6.543,43 4.732,44 5.896,45 6.202,46 4.201,47 4.897,48 6.474,49 4.649,50 5.843,51 6.177,52 4.084,53 4.768,54 6.364,55 4.504,56 0.168,57 1.585,58 31.55,59 12.312,60 19.559,61 17.847,62 0.537,63 2.49,64 54.683,65 19.048,66 36.192,67 28.425,68 0.548,69 3.139,70 69.19,71 25.839,72 45.283,73 38.1,74 0.767,75 3.47,76 78.817,77 29.247,78 55.231,79 43.244,80 0.627,81 3.548,82 80.112,83 29.983,84 54.643,85 44.433,86 0.761,87 3.488,88 80.976,89 29.656,90 62.439,91 43.784,92 0.751,93 3.315,94 76.626,95 29.253,96 56.106,97 42.808,98 0.54,99 2.981,100 70.239,101 26.602,102 48.243,103 39.246,104 53,105 60,106 0.175,107 0.364,108 0.594,109 0.682,110 0.719,111 0.733,112 3.893,113 1.211,114 0.64,115 0.45,116 0.2,121 34.4,122 2,123 14,126 4,127 10,144 8,145 2,146 2,176 19,180 8,187 16,189 6,192 8,200 9,203 4,206 6,208 2,214 10,216 6,219 4,227 13,229 4,232 6,239 20,244 4,246 2,251 22,256 2,264 16,268 1,269 6,277 14,279 2,281 6876,282 32.865,283 32.865,284 32.865,285 32.865,286 32.865,287 31.362,288 35.556,289 20.725,290 33.861,291 23.947,292 23.947,293 23.947,294 23.947,295 23.947,296 21.716,297 40.516,298 9.627,299 25.26,300 5.705,301 4.379,302 2.763,303 2.152,304 1.89,305 1.791,306 4.57,312 1,313 2614,314 6.481,318 458.261,325 4.34,326 22.521,329 0.75,330 0.67,331 0.67,332 0.8,333 1,334 0.67,335 0.5,336 0.72,337 101,338 1282,339 4.359,340 3.677,341 6.992,342 4.209,343 3.292,344 3.825,345 1.26,346 11.856,347 3.025,348 4.359,349 3.677,350 6.992,351 4.209,352 3.292,353 3.825,354 1.26,355 11.856,356 3.025,357 4.056,358 3.045,359 6.09,360 3.712,361 2.754,362 3.207,363 0.86,364 8.83,365 2.631,366 4.056,367 3.045,368 6.09,369 3.712,370 2.754,371 3.207,372 0.86,373 8.83,374 2.631,375 2.98,376 2.401,377 4.403,378 2.943,379 1.98,380 2.09,381 0.86,382 4.146,383 1.914,384 2.923,385 2.394,386 4.403,387 2.868,388 1.921,389 2.09,390 0.86,391 4.146,392 1.827,393 2.917,394 1.989,395 3.985,396 2.814,397 1.825,398 1.999,399 0.245,400 3.96,401 1.801,402 2.917,403 1.989,404 3.943,405 2.665,406 1.695,407 1.998,408 0.245,409 3.843,410 1.633,411 2.87,412 1.863,413 3.876,414 2.512,415 1.568,416 1.978,418 3.656,419 1.475,420 2.863,421 1.762,422 3.789,423 2.502,424 1.555,425 1.918,427 3.402,428 1.467,429 2.817,430 1.698,431 3.683,432 2.462,433 1.52,434 1.821,436 3.096,437 1.433,438 2.689,439 1.521,440 3.64,441 2.437,442 1.441,443 1.69,445 3.033,446 1.43,447 2.527,448 1.516,449 3.631,450 2.424,451 1.434,452 1.527,454 3.019,455 1.398,456 2.337,457 1.451,458 3.533,459 2.301,460 1.331,461 1.337,463 2.707,464 1.283,465 2.126,466 1.239,467 3.378,468 2.1,469 1.123,470 1.125,472 2.286,473 1.093,474 23.133,475 0.482,476 0.704,477 0.015,478 41.5,479 0.865,480 13,481 0.271,482 28.5,483 0.594,484 66.624,485 1.388,486 59.667,487 0.489,488 29.808,489 0.621,490 7.434,491 0.155,492 15.948,493 0.332,494 0.13,495 0.035,496 0.086,501 0.961,502 1.692,503 1.162,504 1.513,505 0.955,506 1.375,507 1.662,508 1.108,509 1.23,510 1.056,511 1.221,512 1.085,513 1.044,514 1.158,515 1.095,516 1.134,517 0.888,518 1.118,519 0.967,520 1.037,521 1.024,522 1.026,523 0.99,524 1.031,525 0.839,526 1.035,527 0.962,528 1.022,529 0.844,530 1.004,531 1.219,532 0.966,533 1.078,534 0.989,535 1.178,536 1.016,537 0.935,538 1.022,539 1.084,540 1.07,541 1.114,542 1.092,543 0.694,544 0.954,545 0.862,546 0.97,547 0.792,548 0.94,549 7.5,550 0.124,551 3.778,552 2.125,553 1.964,554 1,555 0.607,556 0.299,557 0.189,558 0.151,559 62621,560 107267,561 1.953,562 60.7,563 16,564 40,569 18,572 1.828,573 1.858,574 4.596,575 -0.87,582 149.573,583 1.226,584 2.552,585 4.167,586 4.779,587 5.041,588 5.14,589 3.939,590 4.585,591 5.564,592 4.922,593 5551.95,594 9.789,595 148771,600 845.55,601 1.176,602 5.523,603 0.153,604 0.003,605 0.063,606 0.034,607 0.033,608 0.016,609 0.011,610 0.007,611 0.005,612 0.004,613 0.328,614 0.5,615 0.75,616 0.79,617 308.953,618 0.074,619 -0.272,620 0.058,621 -0.154,622 0.078,623 -0.066,624 -0.165,625 0.082,626 -0.073,627 0.036,628 -0.044,629 -0.001,630 -0.043,631 -0.063,632 -0.049,633 -0.065,634 0.036,635 -0.058,636 0.009,637 -0.026,638 -0.025,639 -0.021,640 -0.036,641 -0.027,642 0.001,643 -0.035,644 0.014,645 -0.023,646 0.021,647 -0.005,648 -0.1,649 0.022,650 -0.073,651 -0.006,652 -0.088,653 -0.032,654 -0.019,655 -0.051,656 -0.113,657 -0.078,658 -0.133,659 -0.102,660 0.049,661 -0.052,662 0.052,663 -0.029,664 0.033,665 0.007,666 0.655,667 2.425,668 0.25,669 95.583,670 0.978,671 1.138,672 -1.866,673 3.483,674 0.6,675 3.912,676 4.111,677 4.248,678 4.344,679 4.454,680 4.369,681 4.277,682 4.205,683 4.127,684 4.078,685 16.261,686 0.54,687 671.18,688 3.912,689 5.389,690 6.168,691 6.984,692 7.784,693 8.613,694 9.424,695 10.262,696 11.081,697 11.925,698 1.6,712 2,715 8,720 4,722 12,739 2,741 122,743 12,744 2,745 49,747 123,748 42,749 12,750 4,751 8,756 2,757 2,763 2,770 14,772 12,773 30,793 74,794 4,796 6,802 2,803 2,807 2,808 1,809 4,829 2,858 2,859 2,864 6,868 48,876 24,878 4,883 2,893 3.3,897 2,898 2,901 25.833,902 22.833,903 11.556,904 8.625,907 1.491,908 1.198,909 0.886,910 23.021,911 9.007,912 4.025,913 4.382,914 4.732,915 5.092,916 5.479,917 5.346,918 5.374,919 5.409,920 5.31,921 5.226,922 0.941,923 63,924 17.887,926 6.873,927 0.026,929 7.326,931 36.365,933 28.628,936 1.826,937 87.667,941 871.062,942 215.364,945 44,948 215.364,949 915.061,951 56.209,952 66.487,953 75.81,954 22,955 38.858,957 871.062,959 871.062,960 215.364,961 44,964 659.182,965 233.88,966 22,968 84.138,969 131.227,972 871.062,973 44,974 215.364,977 871.062,978 83.345,979 132.019,981 44,982 871.062,983 44,984 215.364,986 0.542,987 0.308,988 0.153,989 0.08,990 16,991 8,992 0.252,993 31,995 1,996 6.1,997 396.95,999 12,1000 220.078,1005 42.375,1006 26.076,1007 18.695,1009 44,1010 16.899,1015 4.646,1018 1130.43,1019 55,1031 119.322,1032 138.781,1034 0.177,1035 0.368,1036 0.601,1037 0.69,1038 0.727,1039 0.742,1040 5.22,1041 1.695,1042 6.111,1043 3.96,1044 4.796,1045 5.069,1046 2.472,1047 6.855,1048 4.693,1049 6.325,1050 1.568,1051 7.633,1052 3.843,1053 4.29,1054 4.635,1055 1.404,1056 8.12,1057 4.053,1058 7.582,1059 1.555,1060 9.29,1061 3.656,1062 6.378,1063 7.003,1064 2.399,1065 11.053,1066 6.146,1067 8.885,1068 1.52,1069 11.04,1070 3.402,1071 6.847,1072 7.475,1073 1.94,1074 13.176,1075 6.456,1076 10.234,1077 1.441,1078 12.852,1079 3.096,1080 8.34,1081 9.305,1082 2.525,1083 15.739,1084 7.942,1085 11.613,1086 1.434,1087 14.705,1088 3.033,1089 9.232,1090 10.178,1091 2.388,1092 18.098,1093 8.687,1094 13.014,1095 1.331,1096 16.582,1097 3.019,1098 10.515,1099 11.786,1100 2.786,1101 20.58,1102 9.934,1103 3.292,1104 1.123,1105 18.476,1106 2.707,1107 11.58,1108 12.853,1109 2.827,1110 23.009,1111 10.873,1112 3.292,1113 11.856,1114 20.381,1115 2.286,1116 12.791,1117 14.35,1118 3.134,1119 25.477,1120 12.025,1121 2.754,1122 11.856,1123 22.293,1124 3.825,1125 13.925,1126 15.522,1127 3.271,1128 27.93,1129 13.049,1130 2.754,1131 8.83,1132 24.211,1133 3.825,1134 15.113,1135 16.956,1136 3.535,1137 30.397,1138 14.164,1139 1.98,1140 8.83,1141 26.132,1142 3.207,1143 16.275,1144 18.19,1145 3.72,1146 32.861,1147 15.227,1148 1.921,1149 4.146,1150 28.057,1151 3.207,1152 17.458,1153 19.588,1154 3.965,1155 35.329,1156 16.328,1157 1.825,1158 4.146,1159 29.985,1160 2.09,1161 18.633,1162 20.861,1163 4.173,1164 37.797,1165 17.409,1166 61946,1167 81242,1168 32.12,1169 73.24,1170 66.851,1171 67.537,1172 71.192,1173 67.048,1174 66.918,1175 75.6,1176 12.899,1177 171.785,1178 63.566,1179 5.352,1180 5.677,1181 6.973,1182 5.258,1183 5.292,1184 6.825,1185 2.12,1186 18.532,1187 5.025,1188 26.196,1189 1.364,1190 1.378,1191 1.453,1192 1.368,1193 1.366,1194 1.543,1195 0.263,1196 3.506,1197 1.297,1198 4.029,1199 4.083,1200 3.94,1201 3.909,1202 4.88,1203 3.91,1204 3.963,1205 4.012,1206 3.888,1207 3.859,1208 4.847,1209 3.86,1210 3.821,1211 3.87,1212 3.695,1213 3.694,1214 4.597,1215 3.683,1216 3.797,1217 3.849,1218 3.677,1219 3.65,1220 4.569,1221 3.644,1222 3.777,1223 3.837,1224 3.632,1225 3.634,1226 4.403,1227 3.622,1228 3.691,1229 3.751,1230 3.54,1231 3.507,1232 4.397,1233 3.506,1234 3.657,1235 3.727,1236 3.49,1237 3.489,1238 4.333,1239 3.483,1240 3.561,1241 3.63,1242 3.381,1243 3.405,1244 4.317,1245 3.389,1246 0.089,1247 0.075,1248 0.143,1249 0.086,1250 0.067,1251 4.359,1252 0.078,1253 3.677,1254 0.026,1255 6.992,1256 0.242,1257 4.209,1258 0.062,1259 3.292,1260 3.825,1261 1.26,1262 11.856,1263 3.025,1264 1.94,1265 1.905,1266 2.096,1267 2.102,1268 1.439,1269 2.104,1270 1.94,1271 1.905,1272 2.096,1273 2.102,1274 1.438,1275 2.104,1276 1.803,1277 1.746,1278 2.044,1279 1.97,1280 1.4,1281 1.996,1282 1.791,1283 1.733,1284 1.996,1285 1.943,1286 1.286,1287 1.961,1288 1.779,1289 1.718,1290 1.99,1291 1.933,1292 1.283,1293 1.952,1294 1.671,1295 1.606,1296 1.913,1297 1.88,1298 1.186,1299 1.894,1300 1.655,1301 1.585,1302 1.905,1303 1.851,1304 1.076,1305 1.876,1306 1.573,1307 1.506,1308 1.853,1309 1.769,1310 1.074,1311 1.801,1312 4.595,1314 5.826,1316 7.245,1318 8.757,1320 10.323,1322 12.898,1328 28.087,1330 23.006,1335 2.131,1340 65.867,1341 149.573,1342 311.317,1343 508.415,1344 583.021,1345 615.021,1346 627.021,1347 169.477,1348 7.515,1349 36.92,1350 36.92,1351 12,1352 12.493,1353 3.7,1354 2.807,1355 153.196,1356 490,1357 322,1358 0.141,1359 413.799,1360 732.6,1361 1001.43,1362 29337,1364 34.765,1365 0.724,1366 0.671,1367 34.765,1368 32.222,1369 23.382,1370 0.477,1371 0.404,1372 19.51,1373 22.496,1374 18.882,1375 15.979,1376 23.382,1377 19.777,1378 18.733,1379 0.312,1380 0.25,1381 18.733,1382 14.98,1383 14.709,1384 0.213,1385 0.156,1386 14.709,1387 10.792,1388 10.579,1389 0.139,1390 0.091,1391 10.579,1392 6.936,1393 7.925,1394 0.093,1395 0.056,1396 7.925,1397 4.722,1398 0.249,1399 146.086,1400 0.176,1401 44.836,1402 0.328,1403 218,1404 465.608,1405 234.399,1406 435.084,1407 587.02,1408 414,1409 238,1410 406.307,1411 256.623,1412 415.982,1413 591.58,1414 386,1415 7.11}
{0 CHEMBL173018,1 1.289,2 26.385,3 5.543,4 30.727,5 215.878,6 5.666,7 0.226,8 4.866,9 5.018,10 4.17,11 4.31,12 5.746,13 4.233,14 5.485,15 5.728,16 4.448,17 4.707,18 6.234,19 4.591,20 5.783,21 6.042,22 4.564,23 4.945,24 6.528,25 4.787,26 5.985,27 6.273,28 4.538,29 5.037,30 6.703,31 4.841,32 6.019,33 6.322,34 4.542,35 5.057,36 6.681,37 4.851,38 6.024,39 6.323,40 4.488,41 5.044,42 6.704,43 4.835,44 5.989,45 6.293,46 4.352,47 4.998,48 6.646,49 4.759,50 5.942,51 6.274,52 4.302,53 4.873,54 6.572,55 4.634,56 0.158,57 1.716,58 32.636,59 12.375,60 20.811,61 18.355,62 0.634,63 2.691,64 57.249,65 19.227,66 39.559,67 29.494,68 0.577,69 3.405,70 74.281,71 26.928,72 59.035,73 40.261,74 0.939,75 3.811,76 88.34,77 31.184,78 90.065,79 46.755,80 0.734,81 3.914,82 89.536,83 32.335,84 77.621,85 48.667,86 0.882,87 3.853,88 90.497,89 32.007,90 87.366,91 47.994,92 0.9,93 3.68,94 86.238,95 31.945,96 81.672,97 47.263,98 0.649,99 3.348,100 80.254,101 28.434,102 73.989,103 43.194,104 117,105 68,106 0.182,107 0.391,108 0.645,109 0.73,110 0.755,111 0.755,112 3.972,113 1.172,114 1.16,115 0.95,116 0.64,121 34.4,122 2,123 14,126 6,127 8,144 8,145 2,146 2,160 2,176 19,179 2,180 10,187 16,189 6,192 10,200 9,203 4,206 10,208 2,214 10,216 6,219 8,227 13,229 4,232 8,239 20,244 6,246 4,251 22,256 4,264 16,268 1,269 12,277 14,279 2,281 8280,282 34.761,283 34.761,284 34.761,285 34.761,286 34.761,287 32.997,288 41.125,289 21.072,290 35.622,291 25.782,292 25.782,293 25.782,294 25.782,295 25.782,296 22.992,297 46.028,298 9.614,299 26.866,300 5.711,301 4.226,302 2.419,303 1.821,304 1.641,305 1.641,306 4.643,312 1,313 2790,314 7.071,318 500.877,325 4.355,326 34.672,329 0.75,330 0.5,331 0.67,332 0.8,333 1,334 0.67,335 0.5,336 0.7,337 110,338 1372,339 4.359,340 3.7,341 6.992,342 4.209,343 3.292,344 3.825,345 1.94,346 11.856,347 3.025,348 4.359,349 3.7,350 6.992,351 4.209,352 3.292,353 3.825,354 1.94,355 11.856,356 3.025,357 4.056,358 3.677,359 6.09,360 3.713,361 2.754,362 3.207,363 1.26,364 8.83,365 2.632,366 4.056,367 3.677,368 6.09,369 3.713,370 2.754,371 3.207,372 1.26,373 8.83,374 2.632,375 3.897,376 3.045,377 5.872,378 3.679,379 2.71,380 3.063,381 0.86,382 7.931,383 2.619,384 3.897,385 3.045,386 5.872,387 3.678,388 2.709,389 3.063,390 0.86,391 7.931,392 2.618,393 2.934,394 2.234,395 4.403,396 2.903,397 1.903,398 2.09,399 0.555,400 4.148,401 1.901,402 2.917,403 2.219,404 4.403,405 2.773,406 1.784,407 2.09,408 0.555,409 4.147,410 1.759,411 2.917,412 1.989,413 4.154,414 2.701,415 1.713,416 1.997,417 0.245,418 4.042,419 1.691,420 2.869,421 1.989,422 4.136,423 2.553,424 1.57,425 1.997,426 0.245,427 3.944,428 1.548,429 2.866,430 1.795,431 3.85,432 2.501,433 1.554,434 1.932,436 3.552,437 1.466,438 2.815,439 1.715,440 3.803,441 2.492,442 1.526,443 1.812,445 3.212,446 1.458,447 2.706,448 1.713,449 3.742,450 2.436,451 1.441,452 1.707,454 3.052,455 1.43,456 2.601,457 1.515,458 3.638,459 2.431,460 1.435,461 1.585,463 3.026,464 1.428,465 2.476,466 1.515,467 3.636,468 2.339,469 1.342,470 1.433,472 2.971,473 1.33,474 24.933,475 0.479,476 1.095,477 0.021,478 47.5,479 0.913,480 16,481 0.308,482 31.5,483 0.606,484 73.59,485 1.415,486 63.867,487 0.499,488 39.803,489 0.765,490 8.764,491 0.169,492 16.227,493 0.312,494 0.187,495 0.032,496 0.152,501 0.837,502 1.761,503 1.116,504 1.502,505 0.614,506 1.357,507 1.239,508 1.067,509 1.12,510 0.998,511 0.627,512 1.023,513 0.985,514 1.2,515 1.098,516 1.179,517 0.898,518 1.148,519 1.149,520 1.043,521 1.089,522 1.041,523 1.353,524 1.059,525 0.836,526 1.026,527 0.967,528 1.022,529 0.9,530 1.007,531 1.168,532 0.965,533 1.071,534 0.991,535 1.022,536 1.018,537 0.874,538 1.012,539 1.069,540 1.081,541 1.012,542 1.099,543 0.7,544 0.972,545 0.816,546 0.938,547 0.87,548 0.897,549 10.5,550 0.306,551 6,552 3.125,553 2.604,554 1.444,555 0.852,556 0.611,557 0.485,558 0.291,559 71585,560 132365,561 1.913,562 59.4,563 16,564 42,568 4,569 14,572 1.85,573 1.783,574 4.593,575 -0.842,582 164.943,583 1.289,584 2.774,585 4.581,586 5.179,587 5.359,588 5.359,589 3.95,590 4.7,591 5.677,592 4.906,593 6505.93,594 10.037,595 175692,600 896,601 1.485,602 5.614,603 0.198,604 0.006,605 0.088,606 0.043,607 0.038,608 0.021,609 0.013,610 0.012,611 0.009,612 0.005,613 0.434,614 0.5,615 0.75,616 0.852,617 337.791,618 0.059,619 -0.333,620 0.052,621 -0.162,622 0.021,623 -0.074,624 -0.042,625 0.143,626 -0.006,627 0.08,628 0.045,629 0.049,630 -0.038,631 -0.078,632 -0.055,633 -0.092,634 0.021,635 -0.075,636 -0.049,637 -0.03,638 -0.074,639 -0.033,640 -0.101,641 -0.055,642 -0.012,643 -0.031,644 0.005,645 -0.022,646 -0.023,647 -0.008,648 -0.103,649 0.019,650 -0.074,651 -0.006,652 -0.069,653 -0.032,654 0.005,655 -0.043,656 -0.102,657 -0.082,658 -0.08,659 -0.103,660 0.063,661 -0.071,662 0.108,664 0.038,665 0.05,666 1.392,667 5.698,668 0.231,669 108.249,670 0.981,671 1.139,672 -2.387,673 5.7,674 0.604,675 3.989,676 4.234,677 4.382,678 4.443,679 4.543,680 4.466,681 4.382,682 4.369,683 4.331,684 4.263,685 15.842,686 0.546,687 725.24,688 3.989,689 5.493,690 6.286,691 7.116,692 7.926,693 8.762,694 9.579,695 10.419,696 11.24,697 12.083,698 3.1,705 2,712 2,715 8,720 4,722 12,739 2,741 128,743 14,744 2,745 53,747 129,748 44,749 12,750 4,751 8,756 2,757 2,763 2,770 14,772 14,773 30,777 2,782 2,786 2,793 76,794 6,796 8,802 4,803 2,807 2,808 1,809 4,829 2,844 2,859 2,864 8,868 52,876 22,878 2,881 2,883 2,893 3.1,896 2,898 2,901 29.167,902 24.733,903 12.278,904 8.825,907 1.466,908 1.192,909 0.889,910 22.466,911 9.113,912 4.127,913 4.522,914 4.864,915 5.163,916 5.528,917 5.402,918 5.428,919 5.495,920 5.404,921 5.338,922 0.941,923 73,924 19.409,926 7.59,927 0.026,929 7.481,931 38.796,933 30.65,936 1.981,937 103,941 894.604,942 227.408,943 6.249,945 72.29,948 227.408,949 966.893,950 6.249,951 73.002,952 58.578,953 75.81,954 59.699,955 38.858,957 894.604,959 894.604,960 233.657,961 72.29,964 729.808,965 237.085,968 76.228,969 157.429,972 894.604,973 78.538,974 227.408,977 894.604,978 78.596,979 155.061,981 72.29,982 894.604,983 78.538,984 227.408,986 0.559,987 0.325,988 0.152,989 0.077,990 20,991 12,992 0.225,993 29,995 1,996 6.178,997 458.562,999 12,1000 244.423,1005 45.715,1006 25.554,1007 17.967,1009 78.538,1010 16.64,1015 4.453,1018 1200.55,1019 61,1024 25.396,1028 0.55,1031 125.526,1032 145.778,1034 0.184,1035 0.396,1036 0.654,1037 0.74,1038 0.766,1039 0.766,1040 5.352,1041 1.784,1042 6.267,1043 4.148,1044 4.92,1045 5.209,1046 3.103,1047 7.04,1048 4.838,1049 6.493,1050 1.713,1051 7.82,1052 4.147,1053 4.575,1054 4.934,1055 2.54,1056 8.278,1057 4.373,1058 7.772,1059 1.57,1060 9.495,1061 4.042,1062 6.541,1063 7.164,1064 3.822,1065 11.201,1066 6.342,1067 9.089,1068 1.554,1069 11.248,1070 3.944,1071 7.074,1072 7.707,1073 3.926,1074 13.267,1075 6.732,1076 10.444,1077 1.526,1078 13.051,1079 3.552,1080 8.507,1081 9.449,1082 4.894,1083 15.819,1084 8.153,1085 11.823,1086 1.441,1087 14.889,1088 3.212,1089 9.408,1090 10.344,1091 5.279,1092 18.145,1093 8.919,1094 13.218,1095 1.435,1096 16.748,1097 3.052,1098 10.658,1099 11.899,1100 6.104,1101 20.618,1102 10.131,1103 3.292,1104 1.342,1105 18.624,1106 3.026,1107 11.712,1108 12.968,1109 6.625,1110 23.033,1111 11.064,1112 3.292,1113 11.856,1114 20.511,1115 2.971,1116 12.901,1117 14.432,1118 7.376,1119 25.494,1120 12.193,1121 2.754,1122 11.856,1123 22.406,1124 3.825,1125 14.021,1126 15.599,1127 7.965,1128 27.942,1129 13.204,1130 2.754,1131 8.83,1132 24.309,1133 3.825,1134 15.194,1135 17.014,1136 8.675,1137 30.405,1138 14.302,1139 2.71,1140 8.83,1141 26.217,1142 3.207,1143 16.344,1144 18.241,1145 9.299,1146 32.866,1147 15.35,1148 2.709,1149 7.931,1150 28.13,1151 3.207,1152 17.516,1153 19.627,1154 9.987,1155 35.333,1156 16.438,1157 1.903,1158 7.931,1159 30.047,1160 3.063,1161 18.682,1162 20.894,1163 10.63,1164 37.8,1165 17.507,1166 71076,1167 96824,1168 33.742,1169 77.251,1170 74.438,1171 75.984,1172 79.436,1173 74.221,1174 74.073,1175 84.815,1176 19.443,1177 198.894,1178 71.274,1179 5.352,1180 5.7,1181 6.882,1182 5.234,1183 5.292,1184 6.825,1185 3.348,1186 18.533,1187 5.025,1188 34.768,1189 1.404,1190 1.434,1191 1.499,1192 1.4,1193 1.398,1194 1.6,1195 0.367,1196 3.753,1197 1.345,1198 4.034,1199 4.088,1200 3.944,1201 3.912,1202 7.429,1203 3.913,1204 3.963,1205 4.012,1206 3.888,1207 3.859,1208 7.425,1209 3.86,1210 3.85,1211 3.904,1212 3.738,1213 3.715,1214 4.879,1215 3.709,1216 3.809,1217 3.859,1218 3.698,1219 3.657,1220 4.847,1221 3.656,1222 3.782,1223 3.84,1224 3.657,1225 3.636,1226 4.408,1227 3.626,1228 3.744,1229 3.806,1230 3.636,1231 3.547,1232 4.397,1233 3.557,1234 3.677,1235 3.739,1236 3.533,1237 3.503,1238 4.347,1239 3.505,1240 3.579,1241 3.655,1242 3.401,1243 3.424,1244 4.318,1245 3.409,1246 0.082,1247 0.07,1248 0.132,1249 0.079,1250 0.062,1251 4.359,1252 0.072,1253 3.7,1254 0.037,1255 6.992,1256 0.224,1257 4.209,1258 0.057,1259 3.292,1260 3.825,1261 1.94,1262 11.856,1263 3.025,1264 1.94,1265 1.905,1266 2.095,1267 2.103,1268 1.435,1269 2.104,1270 1.94,1271 1.905,1272 2.095,1273 2.102,1274 1.434,1275 2.104,1276 1.82,1277 1.761,1278 2.052,1279 1.994,1280 1.409,1281 2.013,1282 1.795,1283 1.738,1284 1.991,1285 1.958,1286 1.269,1287 1.968,1288 1.78,1289 1.719,1290 1.984,1291 1.933,1292 1.259,1293 1.95,1294 1.702,1295 1.636,1296 1.923,1297 1.91,1298 1.216,1299 1.917,1300 1.659,1301 1.594,1302 1.897,1303 1.858,1304 1.067,1305 1.875,1306 1.594,1307 1.521,1308 1.869,1309 1.787,1310 1.063,1311 1.821,1312 4.673,1314 5.938,1316 7.386,1318 8.916,1320 10.49,1322 16.559,1328 22.44,1330 11.141,1333 3.858,1335 1.963,1340 69.91,1341 164.943,1342 355.033,1343 586.412,1344 662.941,1345 685.961,1346 685.961,1347 232.309,1348 7.647,1349 59.08,1350 59.08,1351 12,1352 12.651,1353 3.907,1354 3.17,1355 174.749,1356 514,1357 368,1358 0.155,1359 440.717,1360 783.92,1361 1067.11,1362 32727,1364 38.246,1365 0.736,1366 0.667,1367 38.246,1368 34.703,1369 24.991,1370 0.472,1371 0.391,1372 20.43,1373 24.049,1374 19.668,1375 16.684,1376 24.991,1377 20.712,1378 20.969,1379 0.308,1380 0.238,1381 20.969,1382 16.179,1383 16.79,1384 0.213,1385 0.149,1386 16.79,1387 11.757,1388 11.461,1389 0.136,1390 0.089,1391 11.461,1392 7.444,1393 8.465,1394 0.091,1395 0.054,1396 8.465,1397 5.048,1398 0.269,1399 156.214,1400 0.172,1401 47.126,1402 0.368,1403 242,1404 548.898,1405 261.233,1406 522.84,1407 697.9,1408 490,1409 268,1410 489.237,1411 289.957,1412 501.775,1413 710.64,1414 464,1415 7.94}
{0 CHEMBL173136,1 1.493,2 26.778,3 10.17,4 103.433,5 209.301,6 6.535,7 0.218,8 4.801,9 4.945,10 4.213,11 4.258,12 5.786,13 4.209,14 5.431,15 5.658,16 4.598,17 4.637,18 6.804,19 4.554,20 5.689,21 5.951,22 4.604,23 4.823,24 6.612,25 4.701,26 5.843,27 6.111,28 4.657,29 4.873,30 6.854,31 4.748,32 5.91,33 6.205,34 4.593,35 4.878,36 6.9,37 4.732,38 5.834,39 6.117,40 4.53,41 4.883,42 6.694,43 4.72,44 5.903,45 6.197,46 4.482,47 4.857,48 6.875,49 4.688,50 5.835,51 6.145,52 4.341,53 4.742,54 6.759,55 4.567,56 0.023,57 1.991,58 27.658,59 11.973,60 31.822,61 16.219,62 1.691,63 3.661,64 56.606,65 18.668,66 282.984,67 26.594,68 0.58,69 3.496,70 69.553,71 24.293,72 101.126,73 35.161,74 0.964,75 4.052,76 83.288,77 27.014,78 192.132,79 38.403,80 1.865,81 4.036,82 91.366,83 27.675,84 252.8,85 39.822,86 0.882,87 3.723,88 81.2,89 27.851,90 164.413,91 40.106,92 1.505,93 3.955,94 89.894,95 28.967,96 254.639,97 40.399,98 1.433,99 3.445,100 84.488,101 25.805,102 256.027,103 36.812,104 161,105 72,106 0.214,107 0.411,108 0.61,109 0.706,110 0.749,111 0.754,112 4.009,113 1.085,114 -7.88,115 -7.64,116 -7.04,121 35.6,122 2,123 14,126 2,127 8,134 2,144 8,145 4,160 2,176 23,179 2,180 12,187 20,192 12,200 11,206 14,214 10,219 12,227 17,232 4,239 22,243 4,244 4,251 24,256 2,264 18,268 1,269 12,277 14,281 9264,282 35.274,283 35.274,284 35.274,285 35.274,286 35.274,287 33.587,288 40.422,289 21.561,290 36.234,291 27.017,292 27.017,293 27.017,294 27.017,295 27.017,296 24.342,297 44.074,298 10.116,299 28.575,300 5.39,301 4.011,302 2.619,303 1.945,304 1.649,305 1.615,306 4.678,313 2936,314 7.348,318 517.757,325 4.543,326 86.494,329 0.5,330 0.5,331 0.5,332 0.8,333 1,334 0.5,335 0.5,336 0.61,337 121,338 1446,339 4.537,340 4.471,341 7.248,342 4.259,343 3.377,344 3.996,345 3.825,346 12.241,347 3.031,348 4.537,349 4.471,350 7.248,351 4.259,352 3.377,353 3.996,354 3.825,355 12.241,356 3.031,357 3.897,358 3.7,359 5.872,360 3.68,361 2.711,362 3.063,363 1.94,364 7.931,365 2.621,366 3.897,367 3.7,368 5.872,369 3.679,370 2.71,371 3.063,372 1.94,373 7.931,374 2.62,375 3.712,376 3.011,377 5.69,378 3.496,379 2.585,380 2.877,381 0.916,382 7.775,383 2.32,384 3.712,385 3.011,386 5.69,387 3.496,388 2.585,389 2.877,390 0.916,391 7.775,392 2.32,393 3.362,394 2.513,395 5.178,396 3.131,397 2.204,398 2.435,399 0.555,400 6.306,401 2.005,402 3.362,403 2.513,404 5.178,405 3.131,406 2.204,407 2.435,408 0.555,409 6.306,410 2.004,411 2.934,412 2.234,413 4.154,414 2.901,415 1.901,416 1.991,417 0.172,418 4.044,419 1.898,420 2.867,421 2.219,422 4.137,423 2.755,424 1.768,425 1.99,426 0.172,427 3.944,428 1.739,429 2.86,430 1.794,431 4.109,432 2.676,433 1.691,434 1.928,436 3.559,437 1.662,438 2.801,439 1.712,440 4.107,441 2.535,442 1.533,443 1.8,445 3.42,446 1.532,447 2.681,448 1.711,449 3.817,450 2.432,451 1.437,452 1.683,454 3.377,455 1.428,456 2.586,457 1.538,458 3.654,459 2.409,460 1.414,461 1.617,463 3.106,464 1.406,465 2.583,466 1.538,467 3.619,468 2.314,469 1.318,470 1.615,472 2.904,473 1.306,474 24.981,475 0.463,476 1.42,477 0.026,478 47.5,479 0.88,480 15,481 0.278,482 32.5,483 0.602,484 74.911,485 1.387,486 66.819,487 0.566,488 45.349,489 0.84,490 8.864,491 0.164,492 16.802,493 0.311,494 0.175,495 0.04,496 0.184,498 6,501 0.549,502 1.271,503 0.877,504 1.412,505 0.546,506 1.276,507 0.466,508 0.836,509 0.896,510 1.079,511 0.334,512 1.089,513 0.58,514 0.909,515 0.846,516 1.089,517 0.504,518 1.049,519 0.889,520 1.055,521 0.967,522 1.112,523 0.873,524 1.076,525 0.998,526 0.846,527 1.009,528 0.887,529 1.017,530 0.937,531 0.664,532 0.886,533 0.922,534 1.077,535 0.666,536 1.075,537 1.007,538 0.97,539 1.058,540 1.023,541 1.035,542 1.053,543 1.08,544 0.932,545 1.026,546 0.927,547 1.098,548 0.954,549 11.5,550 0.306,551 6,552 3.875,553 2.32,554 1.778,555 1.017,556 0.611,557 0.485,558 0.331,559 79931,560 230351,561 1.896,562 54.2,563 16,564 30,568 4,569 14,572 1.858,573 1.751,574 4.583,575 -0.774,582 176.165,583 1.493,584 2.872,585 4.263,586 4.937,587 5.234,588 5.268,589 3.912,590 4.579,591 5.732,592 4.947,593 7078.91,594 10.145,595 199014,600 812.152,601 1.58,602 5.658,603 0.209,604 0.006,605 0.083,606 0.052,607 0.031,608 0.026,609 0.015,610 0.01,611 0.009,612 0.006,613 0.448,614 0.33,615 0.63,616 0.867,617 354.917,618 -0.002,619 -0.151,620 0.026,621 -0.098,622 -0.044,623 -0.046,624 0.374,625 0.224,626 0.077,627 0.007,628 0.415,629 -0.027,630 0.007,631 -0.096,632 0.054,633 -0.053,634 0.048,635 0.001,636 -0.047,637 -0.17,638 -0.011,639 -0.11,640 -0.017,641 -0.066,642 -0.018,643 0.106,644 -0.019,645 0.067,646 -0.054,647 0.031,648 -0.013,649 -0.082,650 -0.014,651 -0.071,652 -0.02,653 -0.049,654 -0.057,655 -0.024,656 -0.082,657 -0.046,658 -0.069,659 -0.068,660 -0.093,661 0.007,662 -0.042,663 0.018,664 -0.101,665 0.008,666 5.612,667 5.573,668 0.222,669 116.724,670 1.003,671 1.154,672 6.652,673 44.243,674 0.607,675 4.025,676 4.29,677 4.407,678 4.511,679 4.585,680 4.554,681 4.5,682 4.369,683 4.357,684 4.369,685 16.463,686 0.569,687 771.1,688 4.025,689 5.541,690 6.33,691 7.169,692 7.978,693 8.824,694 9.642,695 10.493,696 11.317,697 12.172,698 3.4,701 2,705 2,715 8,720 4,722 12,741 118,743 14,744 2,745 55,747 119,748 42,749 12,750 4,751 8,756 2,757 2,763 4,769 2,770 14,772 14,773 28,777 2,782 2,786 2,791 6,793 64,794 12,796 12,802 4,808 1,809 2,829 2,844 2,855 2,859 2,864 4,866 6,868 54,876 22,881 4,882 2,892 6,893 1.7,896 2,901 30.833,902 21.657,903 12.361,904 8.098,907 1.655,908 1.212,909 0.914,910 22.307,911 9.451,912 4.159,913 4.564,914 4.909,915 5.251,916 5.601,917 5.544,918 5.628,919 5.495,920 5.478,921 5.552,922 0.941,923 75,924 21.083,926 9.358,927 0.026,929 8.083,931 38.59,933 30.658,936 2.583,937 139.5,941 753.351,942 200.253,943 12.497,945 50.29,946 89.761,948 200.253,949 803.64,950 102.258,951 34.443,952 58.578,953 75.81,954 59.699,955 108.752,957 753.351,958 15.519,959 753.351,960 212.75,961 140.051,964 588.555,965 304.846,968 97.996,969 114.754,972 843.111,973 62.787,974 200.253,977 768.87,978 74.481,979 122.75,981 140.051,982 753.351,983 152.548,984 200.253,986 0.567,987 0.312,988 0.15,989 0.076,990 22,991 14,992 0.227,993 27,995 1,996 6.301,997 482.949,999 12,1000 247.254,1005 47.398,1006 25.413,1007 19.111,1009 152.548,1010 11.462,1015 -0.576,1018 1106.15,1019 63,1024 25.147,1028 0.256,1031 118.297,1032 136.152,1034 0.217,1035 0.417,1036 0.619,1037 0.717,1038 0.76,1039 0.765,1040 5.398,1041 2.204,1042 6.326,1043 6.306,1044 4.977,1045 5.252,1046 4.044,1047 7.107,1048 4.866,1049 6.549,1050 1.901,1051 7.883,1052 6.306,1053 4.691,1054 5.017,1055 4.678,1056 8.293,1057 4.347,1058 7.828,1059 1.768,1060 9.568,1061 4.044,1062 6.597,1063 7.206,1064 6.194,1065 11.275,1066 6.329,1067 9.147,1068 1.691,1069 11.334,1070 3.944,1071 7.155,1072 7.797,1073 7.41,1074 13.315,1075 6.642,1076 10.506,1077 1.533,1078 13.154,1079 3.559,1080 8.576,1081 9.536,1082 8.77,1083 15.941,1084 8.094,1085 11.893,1086 1.437,1087 15.013,1088 3.42,1089 9.502,1090 10.506,1091 10.089,1092 18.279,1093 8.809,1094 13.304,1095 1.414,1096 16.899,1097 3.377,1098 10.762,1099 12.069,1100 11.432,1101 20.817,1102 10.042,1103 3.377,1104 1.318,1105 18.806,1106 3.106,1107 11.847,1108 13.229,1109 12.769,1110 23.261,1111 10.956,1112 3.377,1113 12.241,1114 20.728,1115 2.904,1116 13.059,1117 14.71,1118 14.111,1119 25.774,1120 12.099,1121 2.711,1122 12.241,1123 22.662,1124 3.996,1125 14.213,1126 15.97,1127 15.452,1128 28.257,1129 13.108,1130 2.71,1131 7.931,1132 24.606,1133 3.996,1134 15.415,1135 17.408,1136 16.793,1137 30.764,1138 14.217,1139 2.585,1140 7.931,1141 26.558,1142 3.063,1143 16.6,1144 18.723,1145 18.134,1146 33.26,1147 15.272,1148 2.585,1149 7.775,1150 28.515,1151 3.063,1152 17.803,1153 20.138,1154 19.476,1155 35.766,1156 16.371,1157 2.204,1158 7.775,1159 30.477,1160 2.877,1161 19.002,1162 21.484,1163 20.818,1164 38.267,1165 17.448,1166 79490,1167 135710,1168 34.553,1169 71.683,1170 78.999,1171 78.423,1172 80.835,1173 79.011,1174 78.398,1175 89.158,1176 29.64,1177 213.3,1178 74.24,1179 5.53,1180 6.471,1181 7.138,1182 5.284,1183 5.377,1184 6.996,1185 5.335,1186 19.755,1187 5.031,1188 39.405,1189 1.436,1190 1.426,1191 1.47,1192 1.437,1193 1.425,1194 1.621,1195 0.539,1196 3.878,1197 1.35,1198 4.008,1199 4.05,1200 3.948,1201 3.916,1202 8.517,1203 3.916,1204 3.95,1205 3.982,1206 3.904,1207 3.873,1208 8.509,1209 3.873,1210 3.855,1211 3.91,1212 3.74,1213 3.713,1214 7.999,1215 3.707,1216 3.795,1217 3.853,1218 3.683,1219 3.636,1220 7.999,1221 3.634,1222 3.743,1223 3.809,1224 3.591,1225 3.612,1226 7.999,1227 3.596,1228 3.688,1229 3.76,1230 3.556,1231 3.503,1232 7.999,1233 3.504,1234 3.63,1235 3.697,1236 3.501,1237 3.434,1238 7.429,1239 3.441,1240 3.546,1241 3.624,1242 3.376,1243 3.379,1244 7.425,1245 3.368,1246 0.082,1247 0.081,1248 0.132,1249 0.077,1250 0.061,1251 4.537,1252 0.073,1253 4.471,1254 0.07,1255 7.248,1256 0.223,1257 4.259,1258 0.055,1259 3.377,1260 3.996,1261 3.825,1262 12.241,1263 3.031,1264 1.934,1265 1.907,1266 2.06,1267 2.044,1268 1.411,1269 2.048,1270 1.934,1271 1.907,1272 2.055,1273 2.043,1274 1.364,1275 2.048,1276 1.818,1277 1.758,1278 2.048,1279 1.995,1280 1.361,1281 2.013,1282 1.778,1283 1.72,1284 1.995,1285 1.96,1286 1.235,1287 1.97,1288 1.755,1289 1.694,1290 1.986,1291 1.919,1292 1.214,1293 1.945,1294 1.664,1295 1.594,1296 1.907,1297 1.874,1298 1.204,1299 1.888,1300 1.597,1301 1.528,1302 1.849,1303 1.818,1304 1.055,1305 1.829,1306 1.553,1307 1.478,1308 1.835,1309 1.757,1310 1.045,1311 1.788,1312 4.71,1314 5.989,1316 7.439,1318 8.973,1320 10.558,1322 7.581,1324 80.069,1328 16.661,1333 7.624,1334 -8.724,1340 67.199,1341 176.165,1342 338.901,1343 503.054,1344 582.603,1345 617.623,1346 621.623,1347 345.968,1348 7.795,1349 47.1,1350 47.1,1351 12,1352 12.733,1353 3.907,1354 3.17,1355 186.338,1356 555,1357 362,1358 0.153,1359 417.802,1360 765.52,1361 1011.2,1362 40918,1363 5.1,1364 39.987,1365 0.74,1366 0.612,1367 34.987,1368 33.048,1369 25.666,1370 0.467,1371 0.362,1372 19.587,1373 24.499,1374 19.108,1375 15.954,1376 23.244,1377 19.897,1378 22.938,1379 0.319,1380 0.2,1381 18.947,1382 14.421,1383 16.525,1384 0.204,1385 0.125,1386 15.061,1387 10.146,1388 12.023,1389 0.134,1390 0.074,1391 10.25,1392 6.662,1393 8.718,1394 0.09,1395 0.046,1396 7.652,1397 4.419,1398 0.266,1399 162.196,1400 0.17,1401 48.564,1402 0.362,1403 254,1404 1024.72,1405 300.789,1406 821.985,1407 1035.02,1408 758,1409 280,1410 680.428,1411 314.598,1412 652.678,1413 978.52,1414 608,1415 5.34}
{0 CHEMBL173309,1 1.311,2 26.28,3 8.253,4 68.109,5 210.28,6 5.793,7 0.235,8 4.802,9 4.951,10 4.125,11 4.261,12 5.701,13 4.187,14 5.408,15 5.646,16 4.367,17 4.629,18 6.19,19 4.511,20 5.671,21 5.936,22 4.471,23 4.813,24 6.433,25 4.664,26 5.809,27 6.081,28 4.441,29 4.884,30 6.579,31 4.708,32 5.867,33 6.164,34 4.419,35 4.918,36 6.547,37 4.719,38 5.884,39 6.184,40 4.381,41 4.909,42 6.57,43 4.706,44 5.851,45 6.148,46 4.29,47 4.877,48 6.539,49 4.655,50 5.824,51 6.144,52 4.221,53 4.796,54 6.456,55 4.563,56 0.135,57 1.612,58 30.163,59 11.748,60 18.508,61 17.197,62 0.58,63 2.491,64 52.882,65 17.93,66 40.667,67 27.322,68 0.552,69 3.017,70 66.573,71 23.418,72 56.896,73 35.235,74 0.871,75 3.278,76 75.909,77 26.136,78 84.417,79 39.198,80 0.664,81 3.432,82 78.154,83 27.875,84 69.049,85 42.088,86 0.766,87 3.401,88 79.523,89 27.899,90 77.056,91 41.998,92 0.853,93 3.267,94 76.667,95 28.035,96 79.257,97 41.415,98 0.579,99 3.087,100 72.881,101 26.29,102 62.167,103 39.655,104 81,105 62,106 0.187,107 0.391,108 0.62,109 0.719,110 0.756,111 0.756,112 3.933,113 1.146,114 -5.88,115 -5.74,116 -5.34,121 35,122 2,123 14,126 4,127 8,144 8,145 2,146 2,160 2,176 19,179 2,180 16,187 16,192 14,200 9,205 2,206 16,214 10,219 12,227 13,232 8,239 20,243 4,244 6,251 22,256 4,264 16,268 1,269 14,277 14,281 7720,282 34.07,283 34.07,284 34.07,285 34.07,286 34.07,287 32.307,288 40.305,289 21.22,290 34.871,291 24.903,292 24.903,293 24.903,294 24.903,295 24.903,296 22.101,297 44.8,298 9.769,299 25.857,300 5.596,301 4.164,302 2.559,303 1.863,304 1.604,305 1.604,306 4.608,313 2676,314 6.633,318 480.802,325 4.429,326 33.995,329 0.5,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.68,337 106,338 1314,339 4.206,340 3.7,341 6.159,342 3.84,343 2.875,344 3.805,345 1.94,346 9.118,347 2.773,348 4.206,349 3.7,350 6.159,351 3.84,352 2.875,353 3.805,354 1.94,355 9.118,356 2.773,357 3.897,358 3.188,359 5.872,360 3.68,361 2.711,362 3.063,363 0.916,364 7.931,365 2.62,366 3.897,367 3.188,368 5.872,369 3.679,370 2.71,371 3.063,372 0.916,373 7.931,374 2.62,375 3.43,376 2.729,377 5.284,378 3.303,379 2.379,380 2.467,381 0.86,382 6.713,383 2.195,384 3.43,385 2.729,386 5.284,387 3.303,388 2.379,389 2.467,390 0.86,391 6.713,392 2.195,393 2.934,394 2.234,395 4.316,396 2.902,397 1.902,398 2.088,399 0.555,400 4.075,401 1.899,402 2.917,403 2.219,404 4.316,405 2.761,406 1.774,407 2.088,408 0.555,409 4.054,410 1.745,411 2.917,412 1.958,413 4.152,414 2.686,415 1.701,416 1.959,417 0.172,418 4.003,419 1.672,420 2.856,421 1.958,422 4.133,423 2.551,424 1.569,425 1.956,426 0.172,427 3.919,428 1.543,429 2.845,430 1.794,431 3.817,432 2.488,433 1.539,434 1.925,436 3.527,437 1.451,438 2.796,439 1.692,440 3.658,441 2.473,442 1.506,443 1.798,445 3.153,446 1.441,447 2.678,448 1.691,449 3.629,450 2.43,451 1.435,452 1.681,454 3.043,455 1.425,456 2.57,457 1.505,458 3.611,459 2.409,460 1.414,461 1.557,463 3.004,464 1.405,465 2.46,466 1.505,467 3.575,468 2.312,469 1.316,470 1.415,472 2.893,473 1.303,474 23.933,475 0.479,476 0.766,477 0.015,478 46,479 0.92,480 16,481 0.32,482 30,483 0.6,484 67.178,485 1.344,486 60.667,487 0.506,488 36.601,489 0.732,490 8.474,491 0.169,492 15.846,493 0.317,494 0.153,496 0.192,501 0.799,502 1.686,503 1.083,504 1.467,505 0.593,506 1.325,507 1.168,508 1.129,509 1.126,510 1.062,511 0.66,512 1.072,513 1.021,514 1.121,515 1.03,516 1.087,517 0.933,518 1.056,519 1.294,520 1.073,521 1.145,522 1.063,523 1.506,524 1.088,525 0.863,526 1.039,527 0.995,528 1.031,529 0.968,530 1.024,531 1.062,532 0.953,533 1.034,534 0.976,535 1.025,536 0.996,537 0.936,538 0.984,539 1.067,540 1.054,541 1.04,542 1.078,543 0.685,544 1.014,545 0.878,546 1,547 0.833,548 0.968,549 7.5,550 0.273,551 4.667,552 2.375,553 1.964,554 1.083,555 0.691,556 0.486,557 0.386,558 0.251,559 66047,560 132083,561 1.941,562 58.3,563 16,564 36,568 4,569 14,572 1.841,573 1.829,574 4.606,575 -0.836,582 157.3,583 1.311,584 2.743,585 4.348,586 5.044,587 5.302,588 5.302,589 3.974,590 4.644,591 5.619,592 4.905,593 6008.84,594 9.924,595 159627,600 828.827,601 1.299,602 5.579,603 0.147,604 0.006,605 0.075,606 0.035,607 0.032,608 0.018,609 0.012,610 0.01,611 0.008,612 0.005,613 0.348,614 0.17,615 0.63,616 0.827,617 322.477,618 0.047,619 -0.284,620 0.048,621 -0.141,622 0.031,623 -0.063,624 -0.029,625 0.061,626 -0.038,627 0.015,628 0.028,629 -0.007,630 -0.032,631 -0.033,632 -0.001,633 -0.039,634 0.027,635 -0.017,636 -0.077,637 -0.042,638 -0.11,639 -0.05,640 -0.12,641 -0.081,642 -0.031,643 -0.039,644 -0.02,645 -0.033,646 -0.044,647 -0.025,648 -0.081,649 0.027,650 -0.048,651 0.002,652 -0.062,653 -0.016,655 -0.014,656 -0.092,657 -0.057,658 -0.058,659 -0.084,660 0.04,661 -0.091,662 0.053,663 -0.036,665 0.003,666 1.397,667 5.615,668 0.24,669 107.776,670 0.982,671 1.138,672 4.649,673 21.613,674 0.608,675 3.951,676 4.143,677 4.304,678 4.369,679 4.454,680 4.369,681 4.304,682 4.263,683 4.248,684 4.205,685 15.756,686 0.553,687 695.16,688 3.951,689 5.425,690 6.209,691 7.009,692 7.808,693 8.614,694 9.418,695 10.227,696 11.034,697 11.845,698 3.3,701 2,705 2,715 8,720 4,722 12,739 2,741 120,743 14,744 2,745 51,747 121,748 42,749 12,750 4,751 8,756 2,757 2,763 2,770 14,772 14,773 28,777 2,782 2,786 2,793 70,794 8,796 8,802 4,808 1,809 4,829 2,844 2,855 2,859 2,864 6,868 50,876 22,878 2,881 4,893 3.3,896 2,898 2,901 27.333,902 22.633,903 12.028,904 8.175,907 1.496,908 1.197,909 0.905,910 23.822,911 9.078,912 4.094,913 4.454,914 4.816,915 5.116,916 5.471,917 5.314,918 5.325,919 5.333,920 5.314,921 5.252,922 0.941,923 67,924 18.649,926 7.242,927 0.026,929 7.5,931 37.163,933 28.959,936 2,937 100,941 823.977,942 210.616,943 12.497,945 72.29,948 210.616,949 896.267,950 12.497,951 56.209,952 58.578,953 75.81,954 59.699,955 45.106,957 823.977,959 823.977,960 223.113,961 72.29,964 659.182,965 237.085,968 82.477,969 140.636,972 823.977,973 84.787,974 210.616,977 823.977,978 78.596,979 144.517,981 72.29,982 823.977,983 84.787,984 210.616,986 0.546,987 0.319,988 0.156,989 0.079,990 16,991 10,992 0.24,993 29,995 1,996 6.178,997 424.395,999 12,1000 232.193,1005 43.721,1006 27.243,1007 18.577,1009 84.787,1010 16.465,1015 4.347,1018 1119.38,1019 59,1024 25.23,1028 0.539,1031 117.875,1032 136.532,1034 0.19,1035 0.397,1036 0.629,1037 0.73,1038 0.768,1039 0.768,1040 5.283,1041 1.774,1042 6.12,1043 4.075,1044 4.828,1045 5.142,1046 3.013,1047 6.79,1048 4.758,1049 6.374,1050 1.701,1051 7.599,1052 4.054,1053 4.111,1054 4.635,1055 2.339,1056 7.476,1057 3.971,1058 7.6,1059 1.569,1060 9.183,1061 4.003,1062 6.286,1063 7.035,1064 3.737,1065 10.505,1066 6.139,1067 8.862,1068 1.539,1069 10.833,1070 3.919,1071 6.463,1072 7.429,1073 3.823,1074 12.064,1075 6.239,1076 10.163,1077 1.506,1078 12.527,1079 3.527,1080 8.008,1081 9.282,1082 4.841,1083 14.566,1084 7.783,1085 11.49,1086 1.435,1087 14.249,1088 3.153,1089 8.616,1090 10.099,1091 5.232,1092 16.473,1093 8.32,1094 12.837,1095 1.414,1096 15.991,1097 3.043,1098 9.885,1099 11.724,1100 6.078,1101 18.785,1102 9.583,1103 2.875,1104 1.316,1105 17.748,1106 3.004,1107 10.708,1108 12.757,1109 6.605,1110 20.843,1111 10.346,1112 2.875,1113 9.118,1114 19.515,1115 2.893,1116 11.85,1117 14.267,1118 7.363,1119 23.082,1120 11.475,1121 2.711,1122 9.118,1123 21.289,1124 3.805,1125 12.78,1126 15.418,1127 7.956,1128 25.211,1129 12.353,1130 2.71,1131 7.931,1132 23.069,1133 3.805,1134 13.864,1135 16.861,1136 8.669,1137 27.422,1138 13.417,1139 2.379,1140 7.931,1141 24.853,1142 3.063,1143 14.846,1144 18.083,1145 9.296,1146 29.585,1147 14.355,1148 2.379,1149 6.713,1150 26.64,1151 3.063,1152 15.904,1153 19.486,1154 9.985,1155 31.787,1156 15.388,1157 1.902,1158 6.713,1159 28.431,1160 2.467,1161 16.914,1162 20.75,1163 10.629,1164 33.969,1165 16.357,1166 65446,1167 92738,1168 33.167,1169 72.967,1170 70.502,1171 72.476,1172 73.975,1173 70.325,1174 70.3,1175 81.054,1176 17.779,1177 177.812,1178 67.89,1179 5.198,1180 5.7,1181 6.049,1182 4.865,1183 4.875,1184 6.805,1185 3.348,1186 15.307,1187 4.773,1188 30.516,1189 1.382,1190 1.421,1191 1.45,1192 1.379,1193 1.378,1194 1.589,1195 0.349,1196 3.487,1197 1.331,1198 3.988,1199 4.031,1200 3.908,1201 3.889,1202 7.429,1203 3.888,1204 3.925,1205 3.957,1206 3.861,1207 3.845,1208 7.425,1209 3.844,1210 3.85,1211 3.902,1212 3.735,1213 3.711,1214 4.877,1215 3.704,1216 3.793,1217 3.85,1218 3.682,1219 3.636,1220 4.847,1221 3.633,1222 3.741,1223 3.804,1224 3.586,1225 3.611,1226 4.395,1227 3.595,1228 3.685,1229 3.755,1230 3.548,1231 3.502,1232 4.392,1233 3.502,1234 3.627,1235 3.694,1236 3.496,1237 3.433,1238 4.31,1239 3.439,1240 3.544,1241 3.622,1242 3.369,1243 3.378,1244 4.258,1245 3.367,1246 0.082,1247 0.073,1248 0.121,1249 0.075,1250 0.056,1251 4.206,1252 0.075,1253 3.7,1254 0.038,1255 6.159,1256 0.179,1257 3.84,1258 0.054,1259 2.875,1260 3.805,1261 1.94,1262 9.118,1263 2.773,1264 1.913,1265 1.887,1266 2.057,1267 2.033,1268 1.411,1269 2.04,1270 1.913,1271 1.887,1272 2.048,1273 2.032,1274 1.363,1275 2.039,1276 1.818,1277 1.758,1278 2.043,1279 1.993,1280 1.36,1281 2.012,1282 1.776,1283 1.719,1284 1.99,1285 1.957,1286 1.232,1287 1.967,1288 1.753,1289 1.693,1290 1.982,1291 1.915,1292 1.196,1293 1.941,1294 1.663,1295 1.593,1296 1.907,1297 1.871,1298 1.188,1299 1.886,1300 1.596,1301 1.527,1302 1.848,1303 1.816,1304 1.042,1305 1.828,1306 1.552,1307 1.477,1308 1.834,1309 1.756,1310 1.032,1311 1.788,1312 4.635,1314 5.861,1316 7.265,1318 8.751,1320 10.283,1322 11.758,1328 21.922,1330 11.013,1333 8.727,1340 66.329,1341 157.3,1342 329.137,1343 521.729,1344 605.278,1345 636.298,1346 636.298,1347 203.392,1348 7.582,1349 65.56,1350 65.56,1351 12,1352 12.434,1353 3.907,1354 3.17,1355 163.466,1356 489,1357 358,1358 0.152,1359 418.605,1360 746.68,1361 1013.16,1362 30766,1364 36.401,1365 0.728,1366 0.652,1367 36.401,1368 32.597,1369 24.32,1370 0.477,1371 0.382,1372 19.247,1373 23.438,1374 18.578,1375 15.686,1376 24.32,1377 19.488,1378 19.33,1379 0.312,1380 0.222,1381 19.33,1382 13.734,1383 15.664,1384 0.215,1385 0.135,1386 15.664,1387 9.886,1388 11.028,1389 0.141,1390 0.083,1391 11.028,1392 6.46,1393 8.103,1394 0.095,1395 0.051,1396 8.103,1397 4.297,1398 0.264,1399 151.847,1400 0.174,1401 45.915,1402 0.358,1403 226,1404 567.523,1405 244.512,1406 537.665,1407 715.74,1408 506,1409 248,1410 493.519,1411 267.625,1412 504.352,1413 716.76,1414 468,1415 7.76}
{0 CHEMBL173607,1 1.223,2 26.12,3 6.548,4 42.882,5 213.034,6 5.502,7 0.235,8 4.84,9 4.999,10 4.117,11 4.312,12 5.683,13 4.22,14 5.463,15 5.714,16 4.406,17 4.72,18 6.176,19 4.587,20 5.78,21 6.046,22 4.504,23 4.959,24 6.495,25 4.782,26 5.983,27 6.281,28 4.457,29 5.036,30 6.664,31 4.818,32 6.011,33 6.331,34 4.461,35 5.037,36 6.626,37 4.816,38 5.962,39 6.26,40 4.398,41 5.037,42 6.622,43 4.806,44 6.002,45 6.332,46 4.266,47 4.976,48 6.6,49 4.712,50 5.861,51 6.196,52 4.244,53 4.81,54 6.484,55 4.572,56 0.166,57 1.71,58 32.002,59 12.406,60 18.982,61 18.539,62 0.532,63 2.725,64 55.414,65 19.605,66 33.73,67 30.123,68 0.513,69 3.465,70 72.875,71 27.567,72 54.839,73 41.112,74 0.676,75 3.866,76 85.547,77 31.669,78 79.608,79 47.394,80 0.66,81 3.886,82 85.866,83 31.998,84 69.531,85 48.055,86 0.581,87 3.815,88 83.057,89 32.313,90 70.364,91 47.743,92 0.747,93 3.682,94 83.202,95 32.274,96 72.52,97 47.575,98 0.524,99 3.169,100 72.412,101 26.706,102 63.142,103 40.135,104 105,105 66,106 0.173,107 0.377,108 0.636,109 0.718,110 0.748,111 0.753,112 3.933,113 1.205,114 0.19,115 0.03,116 -0.19,121 34.9,122 4,123 14,126 4,127 8,144 8,145 4,160 2,176 25,179 2,180 6,187 24,189 6,192 6,200 15,203 6,206 8,214 12,216 8,219 8,227 17,229 4,232 4,239 26,244 4,246 4,251 26,256 2,264 20,268 1,269 10,277 16,279 2,281 7496,282 33.02,283 33.02,284 33.02,285 33.02,286 33.02,287 31.152,288 37.183,289 20.032,290 33.538,291 24.907,292 24.907,293 24.907,294 24.907,295 24.907,296 22.138,297 40.27,298 9.316,299 25.631,300 5.754,301 4.309,302 2.473,303 1.897,304 1.683,305 1.651,306 4.603,312 1,313 2660,314 6.928,318 482.399,325 4.275,326 29.113,329 0.75,330 0.67,331 0.67,332 0.8,333 1,334 0.67,335 0.5,336 0.72,337 104,338 1306,339 4.35,340 3.7,341 6.991,342 4.208,343 3.291,344 3.801,345 1.94,346 11.848,347 3.032,348 4.35,349 3.7,350 6.991,351 4.208,352 3.291,353 3.801,354 1.94,355 11.848,356 3.032,357 4.03,358 3.674,359 5.98,360 3.696,361 2.711,362 3.203,363 1.26,364 8.388,365 2.664,366 4.03,367 3.674,368 5.98,369 3.696,370 2.711,371 3.203,372 1.26,373 8.388,374 2.664,375 3.897,376 2.913,377 5.872,378 3.679,379 2.705,380 3.063,381 0.555,382 7.931,383 2.62,384 3.897,385 2.913,386 5.872,387 3.678,388 2.704,389 3.063,390 0.555,391 7.931,392 2.619,393 2.934,394 2.234,395 4.23,396 2.903,397 1.903,398 2.056,399 0.245,400 4.05,401 1.901,402 2.887,403 2.219,404 4.23,405 2.772,406 1.783,407 2.056,408 0.245,409 3.957,410 1.759,411 2.886,412 1.795,413 4.153,414 2.701,415 1.712,416 1.951,418 3.795,419 1.691,420 2.833,421 1.749,422 4.135,423 2.548,424 1.545,425 1.95,427 3.786,428 1.547,429 2.827,430 1.747,431 3.847,432 2.453,433 1.458,434 1.931,436 3.546,437 1.45,438 2.811,439 1.674,440 3.797,441 2.442,442 1.445,443 1.812,445 3.204,446 1.44,447 2.706,448 1.674,449 3.738,450 2.414,451 1.414,452 1.707,454 3.007,455 1.414,456 2.601,457 1.475,458 3.61,459 2.414,460 1.414,461 1.585,463 2.971,464 1.414,465 2.476,466 1.475,467 3.609,468 2.338,469 1.341,470 1.433,472 2.954,473 1.329,474 24.267,475 0.485,476 1.171,477 0.023,478 44.5,479 0.89,480 15,481 0.3,482 29.5,483 0.59,484 72.607,485 1.452,486 60.933,487 0.484,488 34.887,489 0.698,490 7.877,491 0.158,492 16.039,493 0.321,494 0.192,495 0.033,496 0.157,501 0.823,502 1.708,503 1.169,504 1.454,505 0.615,506 1.351,507 1.153,508 1.084,509 1.127,510 1.021,511 0.544,512 1.048,513 1.095,514 1.195,515 1.154,516 1.181,517 0.927,518 1.169,519 1.255,520 1.092,521 1.106,522 1.078,523 1.368,524 1.084,525 1.003,526 0.888,527 0.94,528 0.893,529 0.903,530 0.907,531 0.961,532 1.099,533 1.116,534 1.136,535 1.008,536 1.138,537 0.738,538 0.918,539 0.949,540 0.977,541 0.939,542 0.983,543 0.822,544 0.964,545 0.814,546 0.92,547 0.934,548 0.876,549 10.5,550 0.306,551 6,552 3.125,553 2.524,554 1.208,555 0.771,556 0.611,557 0.485,558 0.291,559 64775,560 106067,561 1.91,562 60.3,563 22,564 36,568 4,569 14,572 1.841,573 1.775,574 4.575,575 -0.876,582 154.08,583 1.223,584 2.668,585 4.504,586 5.08,587 5.294,588 5.326,589 3.943,590 4.644,591 5.62,592 4.875,593 5971.67,594 9.923,595 156523,600 879.137,601 1.515,602 5.554,603 0.206,604 0.006,605 0.091,606 0.045,607 0.041,608 0.019,609 0.013,610 0.012,611 0.01,612 0.006,613 0.449,614 0.5,615 0.75,616 0.763,617 321.533,618 0.081,619 -0.289,620 0.044,621 -0.122,622 -0.002,623 -0.058,624 0.023,625 0.136,626 0.001,627 0.067,628 0.061,629 0.04,630 -0.059,631 -0.077,632 -0.091,633 -0.097,634 0.001,635 -0.095,636 -0.086,637 -0.087,638 -0.09,639 -0.075,640 -0.102,641 -0.084,642 -0.04,643 0.079,644 0.036,645 0.07,646 -0.016,647 0.061,648 -0.069,649 -0.086,650 -0.122,651 -0.109,652 -0.07,653 -0.118,654 0.092,655 0.004,656 -0.009,657 -0.019,658 -0.041,659 -0.023,660 0.099,661 -0.059,662 0.127,663 0.016,664 0.054,665 0.065,666 1.373,667 5.673,668 0.24,669 103.117,670 0.975,671 1.138,672 -1.416,673 2.005,674 0.606,675 3.951,676 4.205,677 4.331,678 4.369,679 4.477,680 4.344,681 4.277,682 4.317,683 4.277,684 4.143,685 15.451,686 0.543,687 693.24,688 3.951,689 5.46,690 6.248,691 7.076,692 7.882,693 8.714,694 9.527,695 10.362,696 11.179,697 12.017,698 3.2,705 2,712 2,715 8,720 4,722 12,741 126,743 14,744 2,745 51,747 127,748 44,749 12,750 4,751 8,756 2,757 2,763 4,770 14,772 14,773 30,777 2,782 2,786 2,793 76,794 4,796 6,802 4,803 2,807 2,808 1,809 2,829 2,844 2,859 2,864 8,868 50,876 22,881 2,883 2,893 1.6,896 2,901 28.167,902 24.4,903 11.611,904 8.908,907 1.364,908 1.181,909 0.895,910 21.01,911 8.897,912 4.094,913 4.5,914 4.816,915 5.092,916 5.46,917 5.26,918 5.254,919 5.417,920 5.318,921 5.072,922 0.941,923 69,924 18.696,926 7.331,927 0.026,929 7.42,931 37.727,933 30.161,936 1.92,937 96,941 894.604,942 219.177,943 6.249,945 50.29,948 219.177,949 944.894,950 6.249,951 68.886,952 58.578,953 75.81,954 59.699,955 12.742,957 894.604,959 894.604,960 225.426,961 50.29,964 729.808,965 215.085,968 93.879,969 131.547,972 894.604,973 56.538,974 219.177,977 894.604,978 74.481,979 150.945,981 50.29,982 894.604,983 56.538,984 219.177,986 0.565,987 0.321,988 0.144,989 0.075,990 20,991 12,992 0.213,993 27,995 1,996 6.054,997 432.896,999 12,1000 228.193,1005 43.799,1006 23.985,1007 17.62,1009 56.538,1010 17.48,1015 5.66,1018 1170.32,1019 59,1024 25.346,1028 0.587,1031 122.871,1032 143.359,1034 0.175,1035 0.382,1036 0.646,1037 0.728,1038 0.759,1039 0.763,1040 5.323,1041 1.783,1042 6.236,1043 4.05,1044 4.89,1045 5.187,1046 2.96,1047 7.004,1048 4.831,1049 6.472,1050 1.712,1051 7.789,1052 3.957,1053 4.575,1054 4.934,1055 2.54,1056 8.241,1057 4.403,1058 7.752,1059 1.545,1060 9.463,1061 3.795,1062 6.512,1063 7.142,1064 3.773,1065 11.158,1066 6.349,1067 9.07,1068 1.458,1069 11.216,1070 3.786,1071 7.057,1072 7.686,1073 3.926,1074 13.225,1075 6.761,1076 10.424,1077 1.445,1078 13.019,1079 3.546,1080 8.479,1081 9.423,1082 4.881,1083 15.778,1084 8.173,1085 11.8,1086 1.414,1087 14.855,1088 3.204,1089 9.384,1090 10.31,1091 5.279,1092 18.109,1093 8.951,1094 13.193,1095 1.414,1096 16.715,1097 3.007,1098 10.631,1099 11.863,1100 6.102,1101 20.585,1102 10.16,1103 3.291,1104 1.341,1105 18.59,1106 2.971,1107 11.687,1108 12.92,1109 6.625,1110 23.004,1111 11.101,1112 3.291,1113 11.848,1114 20.477,1115 2.954,1116 12.876,1117 14.384,1118 7.375,1119 25.468,1120 12.23,1121 2.711,1122 11.848,1123 22.374,1124 3.801,1125 13.996,1126 15.537,1127 7.965,1128 27.919,1129 13.246,1130 2.711,1131 8.388,1132 24.277,1133 3.801,1134 15.17,1135 16.951,1136 8.675,1137 30.384,1138 14.345,1139 2.705,1140 8.388,1141 26.186,1142 3.203,1143 16.321,1144 18.166,1145 9.299,1146 32.847,1147 15.397,1148 2.704,1149 7.931,1150 28.101,1151 3.203,1152 17.493,1153 19.55,1154 9.987,1155 35.316,1156 16.486,1157 1.903,1158 7.931,1159 30.019,1160 3.063,1161 18.66,1162 20.805,1163 10.63,1164 37.784,1165 17.557,1166 64196,1167 82278,1168 32.356,1169 76.342,1170 72.249,1171 73.266,1172 76.651,1173 71.946,1174 71.746,1175 82.511,1176 16.003,1177 193.084,1178 69.922,1179 5.343,1180 5.7,1181 6.881,1182 5.232,1183 5.291,1184 6.801,1185 3.348,1186 18.473,1187 5.032,1188 33.866,1189 1.417,1190 1.437,1191 1.503,1192 1.411,1193 1.407,1194 1.618,1195 0.314,1196 3.786,1197 1.371,1198 4.04,1199 4.096,1200 3.947,1201 3.936,1202 7.429,1203 3.932,1204 3.971,1205 4.021,1206 3.892,1207 3.886,1208 7.425,1209 3.881,1210 3.853,1211 3.907,1212 3.739,1213 3.719,1214 4.765,1215 3.712,1216 3.813,1217 3.868,1218 3.698,1219 3.66,1220 4.731,1221 3.658,1222 3.786,1223 3.849,1224 3.657,1225 3.638,1226 4.36,1227 3.629,1228 3.746,1229 3.81,1230 3.636,1231 3.549,1232 4.325,1233 3.559,1234 3.677,1235 3.74,1236 3.533,1237 3.504,1238 4.262,1239 3.506,1240 3.579,1241 3.656,1242 3.401,1243 3.425,1244 4.193,1245 3.409,1246 0.085,1247 0.073,1248 0.137,1249 0.083,1250 0.065,1251 4.35,1252 0.075,1253 3.7,1254 0.038,1255 6.991,1256 0.232,1257 4.208,1258 0.059,1259 3.291,1260 3.801,1261 1.94,1262 11.848,1263 3.032,1264 1.963,1265 1.927,1266 2.111,1267 2.107,1268 1.438,1269 2.112,1270 1.963,1271 1.927,1272 2.111,1273 2.106,1274 1.437,1275 2.112,1276 1.821,1277 1.762,1278 2.053,1279 1.995,1280 1.41,1281 2.014,1282 1.802,1283 1.742,1284 2.01,1285 1.963,1286 1.277,1287 1.979,1288 1.786,1289 1.722,1290 2.005,1291 1.942,1292 1.269,1293 1.966,1294 1.705,1295 1.638,1296 1.931,1297 1.916,1298 1.219,1299 1.925,1300 1.661,1301 1.595,1302 1.905,1303 1.86,1304 1.115,1305 1.879,1306 1.595,1307 1.521,1308 1.872,1309 1.787,1310 1.111,1311 1.822,1312 4.635,1314 5.905,1316 7.353,1318 8.879,1320 10.447,1322 17.668,1328 23.258,1333 3.885,1335 2.116,1340 68.48,1341 154.08,1342 336.17,1343 567.549,1344 640.079,1345 667.098,1346 671.098,1347 213.828,1348 7.533,1349 40.62,1350 40.62,1351 12,1352 12.589,1353 3.907,1354 3.17,1355 163.523,1356 481,1357 358,1358 0.155,1359 432.725,1360 766.34,1361 1047.61,1362 27945,1364 36.832,1365 0.737,1366 0.678,1367 36.832,1368 33.886,1369 23.915,1370 0.469,1371 0.402,1372 20.289,1373 23.279,1374 19.473,1375 16.538,1376 23.915,1377 20.487,1378 20.587,1379 0.312,1380 0.249,1381 20.587,1382 16.408,1383 16.187,1384 0.216,1385 0.159,1386 16.187,1387 11.895,1388 10.672,1389 0.137,1390 0.094,1391 10.672,1392 7.363,1393 8.095,1394 0.093,1395 0.06,1396 8.095,1397 5.204,1398 0.269,1399 147.527,1400 0.176,1401 45.771,1402 0.367,1403 234,1404 453.427,1405 247.476,1406 447.707,1407 602.1,1408 418,1409 258,1410 428.146,1411 273.977,1412 443.634,1413 625.78,1414 412,1415 7.78}
{0 CHEMBL173935,1 1.344,2 26.12,3 6.905,4 47.676,5 212.561,6 6.117,7 0.235,8 4.799,9 4.951,10 4.171,11 4.288,12 5.666,13 4.2,14 5.421,15 5.661,16 4.491,17 4.7,18 6.175,19 4.57,20 5.751,21 6.014,22 4.619,23 4.938,24 6.503,25 4.76,26 5.934,27 6.227,28 4.548,29 4.995,30 6.655,31 4.78,32 5.931,33 6.237,34 4.578,35 5,36 6.6,37 4.784,38 5.916,39 6.206,40 4.498,41 5,42 6.633,43 4.769,44 5.883,45 6.192,46 4.324,47 4.91,48 6.551,49 4.659,50 5.77,51 6.088,52 4.297,53 4.762,54 6.446,55 4.536,56 0.134,57 1.614,58 30.268,59 11.728,60 16.133,61 17.378,62 0.538,63 2.575,64 56.133,65 18.869,66 33.161,67 28.746,68 0.559,69 3.244,70 78.478,71 27.372,72 58.897,73 40.026,74 0.887,75 3.545,76 95.523,77 31.155,78 90.898,79 45.681,80 0.69,81 3.551,82 90.942,83 31.63,84 73.646,85 46.157,86 0.762,87 3.444,88 97.302,89 32.281,90 86.52,91 46.251,92 0.844,93 3.265,94 89.36,95 30.743,96 79.344,97 44.097,98 0.559,99 2.919,100 76.128,101 26,102 65.306,103 38.182,104 105,105 66,106 0.192,107 0.398,108 0.638,109 0.729,110 0.756,111 0.756,112 3.933,113 1.213,114 -0.35,115 -0.48,116 -0.64,121 35,122 2,123 14,126 4,127 8,144 8,145 2,146 2,160 2,176 19,179 2,180 6,187 20,189 6,192 6,200 13,203 4,206 8,214 12,216 8,219 8,227 13,229 4,232 4,239 24,244 4,246 4,251 24,256 2,264 18,268 1,269 10,277 16,279 2,281 7496,282 33.02,283 33.02,284 33.02,285 33.02,286 33.02,287 31.152,288 35.98,289 20.032,290 33.759,291 24.907,292 24.907,293 24.907,294 24.907,295 24.907,296 22.138,297 38.202,298 9.316,299 26.105,300 5.563,301 4.118,302 2.434,303 1.796,304 1.604,305 1.604,306 4.603,308 2,312 1,313 2660,314 6.928,318 482.399,325 4.275,326 34.765,329 0.75,330 0.67,331 0.67,332 0.8,333 1,334 0.67,335 0.5,336 0.72,337 104.667,338 1306,339 4.35,340 3.7,341 6.991,342 4.205,343 3.291,344 3.801,345 1.94,346 11.848,347 3.008,348 4.35,349 3.7,350 6.991,351 4.205,352 3.291,353 3.801,354 1.94,355 11.848,356 3.008,357 4.03,358 3.68,359 5.98,360 3.68,361 2.711,362 3.203,363 1.26,364 8.388,365 2.62,366 4.03,367 3.68,368 5.98,369 3.679,370 2.711,371 3.203,372 1.26,373 8.388,374 2.619,375 3.897,376 3.115,377 5.872,378 3.638,379 2.705,380 3.063,381 0.555,382 7.931,383 2.495,384 3.897,385 3.115,386 5.872,387 3.638,388 2.704,389 3.063,390 0.555,391 7.931,392 2.495,393 2.934,394 2.234,395 4.23,396 2.903,397 1.903,398 2.056,399 0.245,400 4.05,401 1.901,402 2.887,403 2.219,404 4.23,405 2.772,406 1.783,407 2.056,408 0.245,409 3.957,410 1.759,411 2.886,412 1.939,413 4.153,414 2.7,415 1.712,416 1.951,418 3.795,419 1.689,420 2.833,421 1.939,422 4.135,423 2.547,424 1.545,425 1.95,427 3.786,428 1.544,429 2.827,430 1.794,431 3.847,432 2.445,433 1.458,434 1.931,436 3.546,437 1.441,438 2.811,439 1.712,440 3.797,441 2.436,442 1.445,443 1.812,445 3.204,446 1.433,447 2.706,448 1.71,449 3.738,450 2.347,451 1.414,452 1.707,454 3.007,455 1.331,456 2.601,457 1.506,458 3.61,459 2.337,460 1.414,461 1.585,463 2.971,464 1.229,465 2.476,466 1.506,467 3.609,468 2.329,469 1.341,470 1.433,472 2.954,473 1.229,474 24.695,475 0.494,476 1.171,477 0.023,478 45,479 0.9,480 15,481 0.3,482 30,483 0.6,484 72.313,485 1.446,486 60.505,487 0.504,488 35.18,489 0.704,490 7.94,491 0.159,492 15.975,493 0.32,494 0.206,495 0.032,496 0.154,501 0.716,502 1.715,503 0.871,504 1.333,505 0.56,506 1.273,507 0.984,508 1.109,509 0.88,510 0.959,511 0.519,512 1.016,513 0.987,514 1.175,515 0.951,516 1.089,517 0.865,518 1.103,519 1.166,520 1.018,521 1.035,522 1.025,523 1.316,524 1.032,525 0.867,526 0.943,527 0.803,528 0.892,529 0.881,530 0.918,531 1.129,532 1.017,533 1.233,534 1.108,535 1.099,536 1.096,537 0.882,538 0.943,539 1.041,540 1.035,541 1.036,542 1.039,543 0.802,544 1.018,545 0.766,546 0.943,547 0.935,548 0.912,549 10.5,550 0.306,551 6,552 3.125,553 2.524,554 1.208,555 0.771,556 0.611,557 0.485,558 0.291,559 64775,560 132083,561 1.91,562 58.3,563 16,564 36,568 4,569 14,572 1.841,573 1.775,574 4.575,575 -0.836,582 161.3,583 1.344,584 2.789,585 4.473,586 5.111,587 5.302,588 5.302,589 3.943,590 4.644,591 5.62,592 4.875,593 5971.67,594 9.923,595 156523,600 828.827,601 1.515,602 5.554,603 0.206,604 0.006,605 0.091,606 0.045,607 0.041,608 0.019,609 0.013,610 0.012,611 0.01,612 0.006,613 0.449,614 0.5,615 0.75,616 0.763,617 321.533,618 0.046,619 -0.302,620 0.028,621 -0.116,622 0.005,623 -0.057,624 0.003,625 0.117,626 0.018,627 0.069,628 0.068,629 0.033,630 -0.042,631 -0.079,632 -0.019,633 -0.058,634 0.021,635 -0.067,636 -0.054,637 -0.035,638 -0.058,639 -0.046,640 -0.097,641 -0.052,642 -0.013,643 0.031,644 0.065,645 0.069,646 -0.009,647 0.056,648 -0.104,649 -0.04,650 -0.127,651 -0.086,652 -0.087,653 -0.09,654 0.024,655 -0.001,656 -0.077,657 -0.059,658 -0.075,659 -0.063,660 0.059,661 -0.089,662 0.073,663 -0.008,664 0.03,665 0.04,666 1.395,667 5.655,668 0.24,669 103.117,670 0.981,671 1.137,672 -0.88,673 0.774,674 0.621,675 3.951,676 4.205,677 4.331,678 4.369,679 4.477,680 4.344,681 4.277,682 4.317,683 4.277,684 4.143,685 15.451,686 0.559,687 734.06,688 3.951,689 5.46,690 6.248,691 7.076,692 7.882,693 8.714,694 9.527,695 10.362,696 11.179,697 12.017,698 3.3,705 2,712 2,715 8,720 4,722 12,740 2,741 120,743 14,744 2,745 51,747 121,748 42,749 12,750 4,751 8,756 2,757 2,758 2,763 2,770 14,772 14,773 28,777 2,782 2,786 2,793 70,794 4,796 8,797 2,802 4,803 2,807 2,808 1,809 2,829 2,844 2,859 2,864 6,865 2,868 50,876 22,881 2,883 2,892 2,893 1.7,896 2,901 28.167,902 22.686,903 11.611,904 8.48,907 1.364,908 1.181,909 0.897,910 21.696,911 8.897,912 4.094,913 4.5,914 4.816,915 5.092,916 5.46,917 5.26,918 5.254,919 5.417,920 5.318,921 5.072,922 0.941,923 69,924 18.669,926 7.38,927 0.026,929 7.504,931 37.3,933 29.83,936 2.004,937 100.222,941 823.977,942 202.157,943 6.249,944 78.297,945 50.29,948 202.157,949 952.564,950 6.249,951 51.236,952 58.578,953 75.81,954 59.699,955 13.372,957 823.977,958 78.297,959 823.977,960 208.405,961 50.29,962 78.297,964 659.182,965 215.085,968 76.228,969 132.177,970 78.297,972 823.977,973 56.538,974 280.454,977 823.977,978 75.111,979 133.295,981 128.587,982 823.977,983 56.538,984 280.454,986 0.565,987 0.321,988 0.144,989 0.075,990 20,991 12,992 0.223,993 27,995 1,996 6.054,997 432.896,999 12,1000 232.193,1005 44.369,1006 24.449,1007 18.011,1009 56.538,1010 16.298,1015 4.126,1018 1160.97,1019 59,1024 25.309,1028 0.544,1031 117.752,1032 136.417,1034 0.195,1035 0.404,1036 0.648,1037 0.74,1038 0.768,1039 0.768,1040 5.323,1041 1.783,1042 6.236,1043 4.05,1044 4.89,1045 5.187,1046 2.96,1047 7.004,1048 4.791,1049 6.472,1050 1.712,1051 7.789,1052 3.957,1053 4.575,1054 4.934,1055 2.54,1056 8.241,1057 4.311,1058 7.752,1059 1.545,1060 9.463,1061 3.795,1062 6.512,1063 7.142,1064 3.773,1065 11.158,1066 6.281,1067 9.07,1068 1.458,1069 11.216,1070 3.786,1071 7.057,1072 7.686,1073 3.926,1074 13.225,1075 6.646,1076 10.424,1077 1.445,1078 13.019,1079 3.546,1080 8.479,1081 9.423,1082 4.881,1083 15.778,1084 8.075,1085 11.8,1086 1.414,1087 14.855,1088 3.204,1089 9.384,1090 10.31,1091 5.279,1092 18.109,1093 8.818,1094 13.193,1095 1.414,1096 16.715,1097 3.007,1098 10.631,1099 11.863,1100 6.102,1101 20.585,1102 10.035,1103 3.291,1104 1.341,1105 18.59,1106 2.971,1107 11.687,1108 12.92,1109 6.625,1110 23.004,1111 10.954,1112 3.291,1113 11.848,1114 20.477,1115 2.954,1116 12.876,1117 14.384,1118 7.375,1119 25.468,1120 12.085,1121 2.711,1122 11.848,1123 22.374,1124 3.801,1125 13.996,1126 15.537,1127 7.965,1128 27.919,1129 13.087,1130 2.711,1131 8.388,1132 24.277,1133 3.801,1134 15.17,1135 16.951,1136 8.675,1137 30.384,1138 14.184,1139 2.705,1140 8.388,1141 26.186,1142 3.203,1143 16.321,1144 18.166,1145 9.299,1146 32.847,1147 15.227,1148 2.704,1149 7.931,1150 28.101,1151 3.203,1152 17.493,1153 19.55,1154 9.987,1155 35.316,1156 16.314,1157 1.903,1158 7.931,1159 30.019,1160 3.063,1161 18.66,1162 20.805,1163 10.63,1164 37.784,1165 17.378,1166 64196,1167 91914,1168 32.356,1169 74.535,1170 72.249,1171 73.891,1172 76.651,1173 72.205,1174 71.746,1175 82.511,1176 16.003,1177 193.084,1178 68.273,1179 5.343,1180 5.7,1181 6.881,1182 5.229,1183 5.291,1184 6.801,1185 3.348,1186 18.473,1187 5.008,1188 33.866,1189 1.417,1190 1.449,1191 1.503,1192 1.416,1193 1.407,1194 1.618,1195 0.314,1196 3.786,1197 1.339,1198 4.027,1199 4.083,1200 4.046,1201 3.922,1202 7.429,1203 3.916,1204 3.96,1205 4.011,1206 4.01,1207 3.874,1208 7.425,1209 3.867,1210 3.849,1211 3.904,1212 3.768,1213 3.718,1214 4.944,1215 3.711,1216 3.806,1217 3.857,1218 3.72,1219 3.659,1220 4.921,1221 3.656,1222 3.779,1223 3.835,1224 3.677,1225 3.637,1226 4.398,1227 3.627,1228 3.742,1229 3.804,1230 3.65,1231 3.548,1232 4.364,1233 3.558,1234 3.676,1235 3.738,1236 3.535,1237 3.503,1238 4.318,1239 3.505,1240 3.579,1241 3.655,1242 3.404,1243 3.424,1244 4.308,1245 3.409,1246 0.085,1247 0.073,1248 0.137,1249 0.082,1250 0.065,1251 4.35,1252 0.075,1253 3.7,1254 0.038,1255 6.991,1256 0.232,1257 4.205,1258 0.059,1259 3.291,1260 3.801,1261 1.94,1262 11.848,1263 3.008,1264 1.94,1265 1.905,1266 2.092,1267 2.097,1268 1.435,1269 2.102,1270 1.94,1271 1.905,1272 2.091,1273 2.097,1274 1.434,1275 2.101,1276 1.819,1277 1.761,1278 2.052,1279 1.993,1280 1.409,1281 2.013,1282 1.794,1283 1.738,1284 1.984,1285 1.953,1286 1.269,1287 1.964,1288 1.779,1289 1.718,1290 1.976,1291 1.917,1292 1.258,1293 1.943,1294 1.702,1295 1.636,1296 1.92,1297 1.896,1298 1.216,1299 1.91,1300 1.659,1301 1.593,1302 1.893,1303 1.854,1304 1.064,1305 1.872,1306 1.594,1307 1.521,1308 1.868,1309 1.786,1310 1.061,1311 1.82,1312 4.635,1314 5.905,1316 7.353,1318 8.879,1320 10.447,1322 13.001,1323 12.82,1328 22.337,1333 3.846,1335 1.941,1340 67.081,1341 161.3,1342 334.647,1343 536.749,1344 613.278,1345 636.298,1346 636.298,1347 225.648,1348 7.533,1349 40.62,1350 40.62,1351 12,1352 12.589,1353 3.907,1354 3.17,1355 163.523,1356 481,1357 358,1358 0.155,1359 430.206,1360 762.16,1361 1041.46,1362 27945,1363 1.7,1364 36.832,1365 0.737,1366 0.683,1367 37.832,1368 34.154,1369 23.915,1370 0.469,1371 0.404,1372 19.726,1373 22.695,1374 18.983,1375 16.032,1376 24.493,1377 20.621,1378 20.587,1379 0.312,1380 0.251,1381 21.328,1382 16.552,1383 16.187,1384 0.216,1385 0.16,1386 16.947,1387 12.025,1388 10.672,1389 0.137,1390 0.095,1391 11.161,1392 7.434,1393 8.095,1394 0.093,1395 0.061,1396 8.641,1397 5.289,1398 0.269,1399 153.878,1400 0.176,1401 45.771,1402 0.367,1403 234,1404 505.834,1405 278.515,1406 554.473,1407 719.94,1408 514,1409 258,1410 461.871,1411 297.397,1412 493.872,1413 702.58,1414 460,1415 7.71}
{0 CHEMBL174046,1 1.463,2 26.857,3 7.461,4 55.661,5 214.899,6 6.359,7 0.211,8 4.864,9 5.013,10 4.254,11 4.307,12 5.827,13 4.254,14 5.507,15 5.738,16 4.662,17 4.714,18 6.828,19 4.631,20 5.799,21 6.055,22 4.685,23 4.954,24 6.692,25 4.82,26 6.014,27 6.297,28 4.735,29 5.028,30 6.952,31 4.877,32 6.054,33 6.356,34 4.692,35 5.03,36 6.967,37 4.867,38 5.993,39 6.276,40 4.692,41 5.029,42 6.895,43 4.866,44 6.066,45 6.369,46 4.549,47 4.964,48 7.062,49 4.788,50 5.91,51 6.224,52 4.412,53 4.801,54 6.827,55 4.625,56 0.004,57 2.083,58 30.343,59 12.614,60 29.913,61 17.437,62 1.744,63 3.864,64 61.485,65 19.983,66 282.998,67 28.799,68 0.511,69 3.885,70 77.222,71 27.815,72 96.741,73 40.204,74 0.989,75 4.527,76 97.429,77 32.037,78 201.464,79 46.299,80 1.869,81 4.507,82 103.333,83 32.313,84 251.557,85 46.94,86 0.855,87 4.496,88 94.834,89 32.688,90 176.393,91 46.667,92 1.954,93 4.597,94 106.442,95 32.916,96 330.327,97 45.436,98 1.382,99 3.602,100 89.524,101 27.047,102 248.867,103 39.153,104 213,105 78,106 0.207,107 0.41,108 0.636,109 0.718,110 0.748,111 0.753,112 4.044,113 1.112,114 -0.84,115 -0.95,116 -1.06,121 34.9,122 2,123 14,126 4,127 8,134 2,144 8,145 4,160 2,176 23,179 2,180 6,187 20,189 6,192 6,200 11,203 6,206 8,214 10,216 6,219 8,227 17,229 4,232 4,239 22,244 4,246 4,251 24,256 2,264 18,268 1,269 10,277 14,279 2,281 9872,282 35.964,283 35.964,284 35.964,285 35.964,286 35.964,287 34.278,288 41.242,289 21.413,290 36.985,291 27.896,292 27.896,293 27.896,294 27.896,295 27.896,296 25.232,297 45.302,298 9.961,299 29.584,300 5.514,301 4.077,302 2.473,303 1.897,304 1.683,305 1.651,306 4.71,312 1,313 3050,314 7.746,318 537.831,325 4.449,326 88.51,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 125,338 1504,339 4.557,340 4.472,341 7.259,342 4.305,343 3.407,344 4.005,345 3.825,346 12.352,347 3.102,348 4.557,349 4.472,350 7.259,351 4.305,352 3.407,353 4.005,354 3.825,355 12.352,356 3.102,357 4.241,358 3.7,359 6.967,360 4.117,361 3.23,362 3.252,363 1.94,364 11.683,365 2.868,366 4.241,367 3.7,368 6.967,369 4.117,370 3.23,371 3.252,372 1.94,373 11.683,374 2.868,375 3.897,376 3.665,377 5.872,378 3.679,379 2.71,380 3.063,381 1.26,382 7.931,383 2.62,384 3.897,385 3.665,386 5.872,387 3.679,388 2.71,389 3.063,390 1.26,391 7.931,392 2.619,393 3.599,394 2.691,395 5.555,396 3.248,397 2.327,398 2.813,399 0.555,400 7.205,401 2.075,402 3.599,403 2.691,404 5.555,405 3.248,406 2.327,407 2.813,408 0.555,409 7.205,410 2.075,411 2.934,412 2.234,413 4.183,414 2.903,415 1.903,416 2.033,417 0.245,418 4.048,419 1.901,420 2.879,421 2.219,422 4.182,423 2.771,424 1.782,425 2.033,426 0.245,427 3.952,428 1.758,429 2.878,430 1.795,431 4.151,432 2.699,433 1.71,434 1.932,436 3.572,437 1.688,438 2.816,439 1.723,440 4.134,441 2.545,442 1.541,443 1.812,445 3.462,446 1.543,447 2.707,448 1.721,449 3.848,450 2.442,451 1.445,452 1.708,454 3.434,455 1.44,456 2.602,457 1.562,458 3.799,459 2.434,460 1.437,461 1.617,463 3.189,464 1.433,465 2.583,466 1.562,467 3.739,468 2.339,469 1.342,470 1.616,472 2.984,473 1.33,474 25.981,475 0.464,476 1.748,477 0.031,478 49,479 0.875,480 15,481 0.268,482 34,483 0.607,484 81.648,485 1.458,486 70.019,487 0.556,488 48.87,489 0.873,490 9.154,491 0.163,492 17.184,493 0.307,494 0.207,495 0.069,496 0.146,498 6,501 0.562,502 1.329,503 0.91,504 1.45,505 0.549,506 1.309,507 0.496,508 0.807,509 0.897,510 1.015,511 0.322,512 1.036,513 0.557,514 0.949,515 0.908,516 1.177,517 0.481,518 1.142,519 0.788,520 0.99,521 0.923,522 1.08,523 0.775,524 1.049,525 0.908,526 0.818,527 0.964,528 0.888,529 0.943,530 0.93,531 0.713,532 1,533 0.931,534 1.137,535 0.709,536 1.104,537 1.299,538 1.046,539 1.162,540 0.976,541 1.336,542 1.024,543 1.081,544 0.933,545 0.99,546 0.913,547 1.102,548 0.924,549 14.5,550 0.339,551 7.333,552 4.625,553 2.8,554 2.361,555 1.179,556 0.736,557 0.584,558 0.371,559 85997,560 230705,561 1.873,562 55.6,563 16,564 36,568 4,569 14,572 1.866,573 1.714,574 4.574,575 -0.782,582 184.363,583 1.463,584 2.9,585 4.504,586 5.08,587 5.294,588 5.326,589 3.896,590 4.566,591 5.786,592 4.946,593 7617.3,594 10.25,595 217057,600 879.137,601 1.655,602 5.692,603 0.254,604 0.006,605 0.094,606 0.057,607 0.035,608 0.031,609 0.016,610 0.012,611 0.01,612 0.007,613 0.522,614 0.5,615 0.75,616 0.876,617 370.358,619 -0.187,620 0.03,621 -0.121,622 -0.047,623 -0.058,624 0.357,625 0.263,626 0.098,627 0.073,628 0.418,629 0.033,630 0.004,631 -0.106,632 -0.004,633 -0.102,634 0.044,635 -0.064,636 -0.021,637 -0.144,638 0.016,639 -0.083,641 -0.039,643 0.104,644 0.006,645 0.073,646 -0.052,647 0.046,648 -0.005,649 -0.139,650 -0.007,651 -0.116,652 -0.002,653 -0.075,654 -0.117,655 0.024,656 -0.135,657 -0.013,658 -0.129,659 -0.066,660 -0.081,661 -0.002,662 -0.007,663 0.022,664 -0.088,665 0.028,666 5.613,667 5.657,668 0.214,669 117,670 1,671 1.154,672 -0.394,673 0.155,674 0.603,675 4.06,676 4.369,677 4.477,678 4.575,679 4.663,680 4.673,681 4.564,682 4.466,683 4.431,684 4.466,685 16.516,686 0.562,687 801.18,688 4.06,689 5.602,690 6.399,691 7.261,692 8.079,693 8.947,694 9.774,695 10.646,696 11.479,697 12.356,698 3.2,705 2,712 2,715 8,720 4,722 12,741 126,743 14,744 2,745 57,747 127,748 44,749 12,750 4,751 8,756 2,757 2,763 4,769 2,770 14,772 14,773 30,777 2,782 2,786 2,791 6,793 70,794 10,796 12,802 4,803 2,807 2,808 1,809 2,829 2,844 2,859 2,864 6,866 6,868 56,876 22,881 2,882 2,883 2,892 6,893 1.6,896 2,901 32.667,902 23.757,903 12.611,904 8.748,907 1.626,908 1.207,909 0.897,910 21.374,911 9.48,912 4.19,913 4.625,914 4.952,915 5.292,916 5.651,917 5.636,918 5.705,919 5.634,920 5.555,921 5.721,922 0.941,923 81,924 21.863,926 9.73,927 0.026,929 8.045,931 40.223,933 32.349,936 2.545,937 142.5,941 823.977,942 217.046,943 6.249,945 50.29,946 89.761,948 217.046,949 874.267,950 96.009,951 51.236,952 58.578,953 75.81,954 59.699,955 102.503,957 823.977,958 15.519,959 823.977,960 223.294,961 140.051,964 659.182,965 304.846,968 91.747,969 131.547,972 913.738,973 56.538,974 217.046,977 839.496,978 74.481,979 133.295,981 140.051,982 823.977,983 146.299,984 217.046,986 0.579,987 0.318,988 0.146,989 0.074,990 26,991 16,992 0.213,993 27,995 1,996 6.303,997 518.869,999 12,1000 255.702,1005 49.393,1006 24.234,1007 18.592,1009 146.299,1010 11.638,1015 -0.469,1018 1187.32,1019 65,1024 25.314,1028 0.267,1031 125.948,1032 145.397,1034 0.21,1035 0.416,1036 0.646,1037 0.728,1038 0.759,1039 0.763,1040 5.46,1041 2.327,1042 6.447,1043 7.205,1044 5.056,1045 5.313,1046 4.077,1047 7.295,1048 4.938,1049 6.65,1050 1.903,1051 8.054,1052 7.205,1053 4.977,1054 5.231,1055 4.699,1056 8.727,1057 4.639,1058 7.967,1059 1.782,1060 9.79,1061 4.048,1062 6.79,1063 7.316,1064 6.201,1065 11.658,1066 6.499,1067 9.322,1068 1.71,1069 11.605,1070 3.952,1071 7.507,1072 7.997,1073 7.413,1074 13.826,1075 6.997,1076 10.713,1077 1.541,1078 13.468,1079 3.572,1080 8.889,1081 9.668,1082 8.771,1083 16.431,1084 8.378,1085 12.127,1086 1.445,1087 15.362,1088 3.462,1089 9.906,1090 10.676,1091 10.09,1092 18.816,1093 9.216,1094 13.559,1095 1.437,1096 17.275,1097 3.434,1098 11.157,1099 12.196,1100 11.432,1101 21.342,1102 10.421,1103 3.407,1104 1.342,1105 19.202,1106 3.189,1107 12.288,1108 13.365,1109 12.77,1110 23.797,1111 11.408,1112 3.407,1113 12.352,1114 21.139,1115 2.984,1116 13.501,1117 14.819,1118 14.111,1119 26.301,1120 12.546,1121 3.23,1122 12.352,1123 23.082,1124 4.005,1125 14.675,1126 16.078,1127 15.452,1128 28.781,1129 13.598,1130 3.23,1131 11.683,1132 25.03,1133 4.005,1134 15.879,1135 17.5,1136 16.793,1137 31.28,1138 14.714,1139 2.71,1140 11.683,1141 26.983,1142 3.252,1143 17.072,1144 18.81,1145 18.134,1146 33.77,1147 15.796,1148 2.71,1149 7.931,1150 28.939,1151 3.252,1152 18.276,1153 20.216,1154 19.476,1155 36.267,1156 16.905,1157 2.327,1158 7.931,1159 30.897,1160 3.063,1161 19.477,1162 21.557,1163 20.818,1164 38.762,1165 18.002,1166 85664,1167 141072,1168 35.128,1169 75.967,1170 82.952,1171 82.109,1172 86.476,1173 82.848,1174 82.088,1175 92.823,1176 31.304,1177 234.14,1178 77.543,1179 5.55,1180 6.472,1181 7.15,1182 5.331,1183 5.407,1184 7.005,1185 5.335,1186 19.943,1187 5.102,1188 43.262,1189 1.455,1190 1.441,1191 1.517,1192 1.453,1193 1.44,1194 1.628,1195 0.549,1196 4.108,1197 1.36,1198 4.048,1199 4.101,1200 3.976,1201 3.935,1202 8.517,1203 3.937,1204 3.98,1205 4.026,1206 3.923,1207 3.885,1208 8.509,1209 3.886,1210 3.856,1211 3.91,1212 3.748,1213 3.719,1214 7.999,1215 3.713,1216 3.818,1217 3.873,1218 3.708,1219 3.66,1220 7.999,1221 3.659,1222 3.791,1223 3.855,1224 3.669,1225 3.638,1226 7.999,1227 3.629,1228 3.749,1229 3.813,1230 3.644,1231 3.549,1232 7.999,1233 3.559,1234 3.678,1235 3.741,1236 3.534,1237 3.504,1238 7.429,1239 3.507,1240 3.58,1241 3.656,1242 3.403,1243 3.425,1244 7.425,1245 3.41,1246 0.08,1247 0.078,1248 0.127,1249 0.076,1250 0.06,1251 4.557,1252 0.07,1253 4.472,1254 0.067,1255 7.259,1256 0.217,1257 4.305,1258 0.054,1259 3.407,1260 4.005,1261 3.825,1262 12.352,1263 3.102,1264 1.956,1265 1.923,1266 2.099,1267 2.107,1268 1.437,1269 2.108,1270 1.956,1271 1.923,1272 2.099,1273 2.107,1274 1.436,1275 2.108,1276 1.821,1277 1.762,1278 2.053,1279 1.995,1280 1.409,1281 2.014,1282 1.8,1283 1.741,1284 1.996,1285 1.964,1286 1.273,1287 1.973,1288 1.784,1289 1.721,1290 1.989,1291 1.944,1292 1.264,1293 1.958,1294 1.704,1295 1.638,1296 1.925,1297 1.918,1298 1.218,1299 1.921,1300 1.66,1301 1.595,1302 1.899,1303 1.86,1304 1.092,1305 1.877,1306 1.595,1307 1.521,1308 1.87,1309 1.788,1310 1.089,1311 1.821,1312 4.745,1314 6.057,1316 7.542,1318 9.107,1320 10.719,1322 11.709,1324 80.93,1328 17.179,1333 3.612,1334 -8.726,1335 1.048,1340 70.78,1341 184.363,1342 365.448,1343 567.549,1344 640.079,1345 667.098,1346 671.098,1347 390.246,1348 7.854,1349 40.62,1350 40.62,1351 12,1352 12.904,1353 3.907,1354 3.17,1355 198.283,1356 580,1357 372,1358 0.157,1359 439.914,1360 802.76,1361 1065.15,1362 43191,1363 4.8,1364 41.832,1365 0.747,1366 0.628,1367 36.832,1368 35.154,1369 26.338,1370 0.462,1371 0.371,1372 20.771,1373 25.11,1374 20.197,1375 16.952,1376 23.915,1377 21.121,1378 24.577,1379 0.315,1380 0.216,1381 20.587,1382 16.865,1383 17.651,1384 0.203,1385 0.138,1386 16.187,1387 12.018,1388 12.464,1389 0.13,1390 0.08,1391 10.672,1392 7.648,1393 9.014,1394 0.086,1395 0.049,1396 8.095,1397 5.191,1398 0.272,1399 166.563,1400 0.169,1401 49.736,1402 0.372,1403 270,1404 1006.09,1405 317.51,1406 807.16,1407 1017.18,1408 742,1409 300,1410 676.146,1411 336.929,1412 650.101,1413 972.4,1414 604,1415 7.93}
{0 CHEMBL174228,1 1.243,2 26,3 9.258,4 85.711,5 207.436,6 5.62,7 0.245,8 4.775,9 4.93,10 4.07,11 4.263,12 5.636,13 4.174,14 5.385,15 5.631,16 4.321,17 4.643,18 6.129,19 4.506,20 5.668,21 5.94,22 4.405,23 4.829,24 6.397,25 4.658,26 5.807,27 6.092,28 4.351,29 4.882,30 6.532,31 4.681,32 5.859,33 6.176,34 4.335,35 4.887,36 6.496,37 4.673,38 5.807,39 6.103,40 4.304,41 4.89,42 6.478,43 4.673,44 5.853,45 6.168,46 4.211,47 4.867,48 6.496,49 4.621,50 5.783,51 6.114,52 4.159,53 4.751,54 6.387,55 4.51,56 0.145,57 1.604,58 29.583,59 11.761,60 17.049,61 17.387,62 0.484,63 2.524,64 51.081,65 18.296,66 34.736,67 27.962,68 0.487,69 3.078,70 65.201,71 24.049,72 52.614,73 36.107,74 0.616,75 3.33,76 73.545,77 26.609,78 73.245,79 39.958,80 0.613,81 3.385,82 75.209,83 27.334,84 63.895,85 41.309,86 0.534,87 3.308,88 72.225,89 27.601,90 61.654,91 40.909,92 0.692,93 3.295,94 73.92,95 28.523,96 71.206,97 41.987,98 0.479,99 2.991,100 67.832,101 25.445,102 53.988,103 38.073,104 69,105 60,106 0.178,107 0.376,108 0.61,109 0.706,110 0.749,111 0.754,112 3.894,113 1.179,114 -6.85,115 -6.66,116 -6.17,121 35.6,122 4,123 14,126 2,127 8,144 8,145 4,160 2,176 25,179 2,180 12,187 24,192 12,200 15,206 16,214 12,219 12,227 17,232 4,239 26,243 4,244 4,251 26,256 2,264 20,268 1,269 12,277 16,281 6960,282 32.329,283 32.329,284 32.329,285 32.329,286 32.329,287 30.461,288 36.364,289 20.18,290 32.787,291 24.028,292 24.028,293 24.028,294 24.028,295 24.028,296 21.248,297 39.042,298 9.472,299 24.622,300 5.64,301 4.252,302 2.619,303 1.945,304 1.649,305 1.615,306 4.567,313 2546,314 6.481,318 462.325,325 4.333,326 28.683,329 0.5,330 0.5,331 0.5,332 0.8,333 1,334 0.5,335 0.5,336 0.61,337 100,338 1248,339 4.176,340 3.7,341 6.061,342 3.827,343 2.84,344 3.779,345 1.94,346 8.744,347 2.808,348 4.176,349 3.7,350 6.061,351 3.827,352 2.84,353 3.779,354 1.94,355 8.744,356 2.808,357 3.897,358 3.116,359 5.872,360 3.68,361 2.711,362 3.063,363 0.916,364 7.931,365 2.62,366 3.897,367 3.116,368 5.872,369 3.679,370 2.71,371 3.063,372 0.916,373 7.931,374 2.62,375 3.422,376 2.649,377 5.257,378 3.295,379 2.361,380 2.462,381 0.555,382 6.604,383 2.2,384 3.422,385 2.649,386 5.257,387 3.295,388 2.361,389 2.462,390 0.555,391 6.604,392 2.2,393 2.934,394 2.234,395 4.159,396 2.902,397 1.902,398 2.039,399 0.172,400 4.047,401 1.899,402 2.88,403 2.219,404 4.149,405 2.76,406 1.772,407 2.039,408 0.172,409 3.951,410 1.745,411 2.877,412 1.795,413 4.135,414 2.683,415 1.697,416 1.939,418 3.727,419 1.671,420 2.832,421 1.749,422 4.125,423 2.542,424 1.54,425 1.927,427 3.707,428 1.541,429 2.818,430 1.747,431 3.816,432 2.438,433 1.444,434 1.917,436 3.512,437 1.433,438 2.789,439 1.631,440 3.652,441 2.414,442 1.414,443 1.798,445 3.134,446 1.414,447 2.678,448 1.63,449 3.608,450 2.414,451 1.414,452 1.68,454 2.987,455 1.414,456 2.57,457 1.473,458 3.594,459 2.408,460 1.414,461 1.557,463 2.96,464 1.403,465 2.46,466 1.473,467 3.573,468 2.311,469 1.314,470 1.415,472 2.89,473 1.303,474 23.267,475 0.485,476 0.842,477 0.018,478 43,479 0.896,480 15,481 0.313,482 28,483 0.583,484 66.226,485 1.38,486 57.733,487 0.489,488 31.894,489 0.664,490 7.587,491 0.158,492 15.657,493 0.326,494 0.158,496 0.198,501 0.764,502 1.63,503 1.136,504 1.415,505 0.591,506 1.319,507 1.032,508 1.147,509 1.132,510 1.087,511 0.577,512 1.099,513 1.126,514 1.117,515 1.086,516 1.092,517 0.959,518 1.082,519 1.404,520 1.132,521 1.16,522 1.108,523 1.521,524 1.118,525 1.089,526 0.892,527 0.961,528 0.892,529 0.987,530 0.91,531 1.028,532 1.05,533 1.084,534 1.081,535 1.058,536 1.087,537 0.801,538 0.96,539 1.003,540 1.026,541 0.99,542 1.034,543 0.747,544 0.958,545 0.835,546 0.935,547 0.845,548 0.9,549 7.5,550 0.273,551 4.667,552 2.375,553 1.884,554 0.958,555 0.609,556 0.486,557 0.386,558 0.251,559 59501,560 105809,561 1.939,562 59.3,563 22,564 30,568 4,569 14,572 1.832,573 1.823,574 4.589,575 -0.87,582 146.625,583 1.243,584 2.631,585 4.263,586 4.937,587 5.234,588 5.268,589 3.97,590 4.502,591 5.559,592 4.872,593 5495.87,594 9.806,595 141436,600 812.152,601 1.326,602 5.517,603 0.153,604 0.006,605 0.078,606 0.038,607 0.034,608 0.017,609 0.011,610 0.01,611 0.008,612 0.005,613 0.36,614 0.33,615 0.63,616 0.738,617 306.28,618 0.062,619 -0.239,620 0.038,621 -0.1,622 0.01,623 -0.046,624 0.044,625 0.052,626 -0.032,628 0.045,629 -0.017,630 -0.05,631 -0.032,632 -0.041,633 -0.045,634 0.007,635 -0.041,636 -0.117,637 -0.11,638 -0.126,639 -0.101,640 -0.122,641 -0.114,642 -0.057,643 0.075,644 0.022,645 0.063,646 -0.035,647 0.052,648 -0.072,649 -0.046,650 -0.089,651 -0.067,652 -0.063,653 -0.077,654 0.082,655 -0.013,656 -0.044,657 -0.048,658 -0.031,659 -0.056,660 0.077,661 -0.052,662 0.1,663 0.011,664 0.021,665 0.051,666 1.379,667 5.59,668 0.25,669 102.417,670 0.976,671 1.137,672 5.62,673 31.589,674 0.611,675 3.912,676 4.111,677 4.248,678 4.29,679 4.382,680 4.263,681 4.19,682 4.205,683 4.19,684 4.111,685 15.342,686 0.55,687 663.16,688 3.912,689 5.389,690 6.168,691 6.965,692 7.758,693 8.559,694 9.357,695 10.16,696 10.962,697 11.766,698 3.4,701 2,705 2,715 8,720 4,722 12,741 118,743 14,744 2,745 49,747 119,748 42,749 12,750 4,751 8,756 2,757 2,763 4,770 14,772 14,773 28,777 2,782 2,786 2,793 70,794 6,796 6,802 4,808 1,809 2,829 2,844 2,855 2,859 2,864 6,868 48,876 22,881 4,893 1.7,896 2,901 26.333,902 22.3,903 11.361,904 8.258,907 1.394,908 1.187,909 0.912,910 22.284,911 8.859,912 4.06,913 4.431,914 4.766,915 5.042,916 5.399,917 5.176,918 5.13,919 5.241,920 5.22,921 5.059,922 0.941,923 63,924 17.937,926 6.987,927 0.026,929 7.438,931 36.094,933 28.471,936 1.938,937 93,941 823.977,942 202.384,943 12.497,945 50.29,948 202.384,949 874.267,950 12.497,951 52.094,952 58.578,953 75.81,954 59.699,955 18.991,957 823.977,959 823.977,960 214.881,961 50.29,964 659.182,965 215.085,968 100.127,969 114.754,972 823.977,973 62.787,974 202.384,977 823.977,978 74.481,979 140.401,981 50.29,982 823.977,983 62.787,984 202.384,986 0.552,987 0.314,988 0.147,989 0.076,990 16,991 10,992 0.227,993 27,995 1,996 6.052,997 399.604,999 12,1000 216.078,1005 41.806,1006 25.585,1007 18.283,1009 62.787,1010 17.305,1015 5.553,1018 1089.15,1019 57,1024 25.18,1028 0.576,1031 115.221,1032 134.114,1034 0.181,1035 0.382,1036 0.619,1037 0.717,1038 0.76,1039 0.765,1040 5.252,1041 1.772,1042 6.084,1043 4.047,1044 4.796,1045 5.118,1046 2.856,1047 6.744,1048 4.75,1049 6.35,1050 1.697,1051 7.561,1052 3.951,1053 4.111,1054 4.635,1055 2.339,1056 7.391,1057 4.016,1058 7.577,1059 1.54,1060 9.141,1061 3.727,1062 6.248,1063 7.01,1064 3.684,1065 10.416,1066 6.148,1067 8.837,1068 1.444,1069 10.785,1070 3.707,1071 6.431,1072 7.402,1073 3.823,1074 11.919,1075 6.285,1076 10.135,1077 1.414,1078 12.471,1079 3.512,1080 7.962,1081 9.25,1082 4.828,1083 14.416,1084 7.811,1085 11.458,1086 1.414,1087 14.185,1088 3.134,1089 8.564,1090 10.055,1091 5.232,1092 16.263,1093 8.378,1094 12.801,1095 1.414,1096 15.918,1097 2.987,1098 9.826,1099 11.681,1100 6.075,1101 18.56,1102 9.634,1103 2.84,1104 1.314,1105 17.665,1106 2.96,1107 10.638,1108 12.698,1109 6.605,1110 20.561,1111 10.42,1112 2.84,1113 8.744,1114 19.422,1115 2.89,1116 11.775,1117 14.209,1118 7.363,1119 22.774,1120 11.548,1121 2.711,1122 8.744,1123 21.185,1124 3.779,1125 12.692,1126 15.344,1127 7.956,1128 24.849,1129 12.447,1130 2.71,1131 7.931,1132 22.954,1133 3.779,1134 13.769,1135 16.788,1136 8.669,1137 27.026,1138 13.514,1139 2.361,1140 7.931,1141 24.726,1142 3.063,1143 14.739,1144 17.994,1145 9.296,1146 29.139,1147 14.469,1148 2.361,1149 6.604,1150 26.502,1151 3.063,1152 15.79,1153 19.397,1154 9.985,1155 31.301,1156 15.509,1157 1.902,1158 6.604,1159 28.28,1160 2.462,1161 16.787,1162 20.648,1163 10.629,1164 33.434,1165 16.494,1166 58838,1167 78596,1168 31.781,1169 72.058,1170 68.153,1171 69.813,1172 71.059,1173 67.919,1174 67.815,1175 78.574,1176 14.339,1177 171.688,1178 66.384,1179 5.168,1180 5.7,1181 5.952,1182 4.851,1183 4.84,1184 6.779,1185 3.348,1186 14.834,1187 4.808,1188 29.666,1189 1.391,1190 1.425,1191 1.45,1192 1.386,1193 1.384,1194 1.604,1195 0.293,1196 3.504,1197 1.355,1198 3.997,1199 4.042,1200 3.911,1201 3.917,1202 7.429,1203 3.91,1204 3.936,1205 3.973,1206 3.865,1207 3.874,1208 7.425,1209 3.868,1210 3.852,1211 3.907,1212 3.736,1213 3.713,1214 4.762,1215 3.706,1216 3.794,1217 3.852,1218 3.682,1219 3.636,1220 4.731,1221 3.633,1222 3.742,1223 3.807,1224 3.586,1225 3.612,1226 4.312,1227 3.596,1228 3.686,1229 3.758,1230 3.549,1231 3.503,1232 4.26,1233 3.503,1234 3.628,1235 3.695,1236 3.496,1237 3.434,1238 4.242,1239 3.44,1240 3.545,1241 3.623,1242 3.369,1243 3.379,1244 4.19,1245 3.367,1246 0.085,1247 0.076,1248 0.124,1249 0.078,1250 0.058,1251 4.176,1252 0.077,1253 3.7,1254 0.04,1255 6.061,1256 0.178,1257 3.827,1258 0.057,1259 2.84,1260 3.779,1261 1.94,1262 8.744,1263 2.808,1264 1.942,1265 1.912,1266 2.076,1267 2.042,1268 1.411,1269 2.056,1270 1.942,1271 1.912,1272 2.076,1273 2.042,1274 1.365,1275 2.056,1276 1.818,1277 1.758,1278 2.053,1279 1.995,1280 1.362,1281 2.014,1282 1.778,1283 1.72,1284 2.003,1285 1.96,1286 1.24,1287 1.973,1288 1.755,1289 1.694,1290 1.994,1291 1.919,1292 1.228,1293 1.948,1294 1.664,1295 1.594,1296 1.909,1297 1.873,1298 1.214,1299 1.89,1300 1.597,1301 1.528,1302 1.853,1303 1.817,1304 1.066,1305 1.831,1306 1.553,1307 1.478,1308 1.838,1309 1.757,1310 1.057,1311 1.79,1312 4.595,1314 5.826,1316 7.228,1318 8.708,1320 10.23,1322 12.767,1328 22.741,1333 8.878,1340 64.9,1341 146.625,1342 310.462,1343 503.054,1344 582.603,1345 617.623,1346 621.623,1347 187.301,1348 7.465,1349 47.1,1350 47.1,1351 12,1352 12.36,1353 3.907,1354 3.17,1355 152.573,1356 456,1357 348,1358 0.152,1359 410.612,1360 729.1,1361 993.654,1362 26140,1364 34.987,1365 0.729,1366 0.662,1367 34.987,1368 31.781,1369 23.244,1370 0.474,1371 0.393,1372 19.106,1373 22.669,1374 18.384,1375 15.539,1376 23.244,1377 19.263,1378 18.947,1379 0.316,1380 0.233,1381 18.947,1382 13.964,1383 15.061,1384 0.218,1385 0.145,1386 15.061,1387 10.023,1388 10.25,1389 0.142,1390 0.088,1391 10.25,1392 6.368,1393 7.652,1394 0.097,1395 0.055,1396 7.652,1397 4.341,1398 0.264,1399 143.16,1400 0.177,1401 44.537,1402 0.358,1403 218,1404 472.052,1405 230.755,1406 462.532,1407 619.94,1408 434,1409 238,1410 432.428,1411 251.645,1412 446.21,1413 631.9,1414 416,1415 7.25}
{0 CHEMBL1743764,1 1.491,2 11.214,3 3.558,4 12.661,5 95.094,6 8.4,7 0.414,8 3.929,9 3.995,10 3.552,11 3.433,12 5.26,13 3.458,14 4.409,15 4.509,16 3.926,17 3.765,18 5.906,19 3.779,20 4.664,21 4.774,22 4.037,23 3.88,24 6.111,25 3.89,26 4.781,27 4.928,28 4.029,29 3.788,30 6.265,31 3.828,32 4.67,33 4.787,34 4.098,35 3.68,36 6.582,37 3.769,38 4.528,39 4.608,40 4.037,41 3.71,42 6.337,43 3.786,44 4.701,45 4.821,46 3.953,47 3.717,48 6.305,49 3.786,50 4.559,51 4.692,52 3.772,53 3.63,54 6.066,55 3.664,56 0.227,57 0.557,58 7.358,59 4.502,60 35.658,61 4.544,62 0.685,63 0.857,64 14.283,65 7.004,66 104.414,67 7.732,68 1.006,69 1.056,70 19.72,71 8.592,72 117.535,73 9.316,74 1.274,75 1.102,76 26.385,77 8.917,78 166.553,79 9.779,80 1.581,81 0.949,82 23.771,83 7.531,84 285.516,85 8.061,86 0.874,87 0.892,88 16.633,89 7.063,90 166.799,91 7.032,92 1.18,93 0.995,94 23.911,95 7.821,96 174.751,97 7.316,98 0.888,99 0.893,100 20.314,101 7.141,102 137.786,103 7.112,104 69,105 40,106 0.256,107 0.582,108 0.651,109 0.68,110 0.68,111 0.68,112 3.374,113 0.848,114 -3.96,115 -3.91,116 -3.71,121 43.5,122 2,129 2,144 8,145 4,160 4,170 2,174 2,176 14,179 2,180 4,181 2,183 2,187 16,191 3,192 8,193 2,195 2,200 10,202 1,205 2,206 8,207 4,209 2,212 2,214 2,215 2,218 5,219 8,220 2,222 4,223 1,224 2,228 6,231 2,232 14,235 2,237 6,240 8,243 1,244 14,249 8,251 1,252 6,256 12,261 6,264 4,265 4,269 10,274 4,277 8,278 2,281 1356,282 17.913,283 17.913,284 17.913,285 17.913,286 17.913,287 15.813,288 15.141,289 10.427,290 18.094,291 14.224,292 14.224,293 14.224,294 14.224,295 14.224,296 11.057,297 11.384,298 4.9,299 14.506,300 4.033,301 2.13,302 1.728,303 1.555,304 1.555,305 1.555,306 4.031,310 1,311 1,312 1,313 640,314 4.69,318 228.722,325 1.673,326 57.242,329 1,330 1,331 0.83,332 0.8,334 1,335 1,336 0.8,337 64,338 314,339 4.267,340 3.998,341 6.607,342 4.04,343 3.088,344 3.766,345 2.43,346 10.43,347 2.928,348 4.18,349 3.714,350 6.046,351 3.809,352 2.816,353 3.756,354 2.43,355 8.65,356 2.788,357 4.058,358 3.593,359 5.989,360 3.73,361 2.729,362 3.306,363 1.665,364 8.427,365 2.72,366 3.675,367 3.553,368 5.343,369 3.304,370 2.317,371 3.02,372 1.665,373 6.293,374 2.278,375 3.628,376 2.606,377 5.018,378 3.253,379 2.252,380 2.964,381 0.228,382 6,383 2.247,384 3.514,385 2.593,386 5.013,387 3.149,388 2.15,389 2.691,390 0.228,391 5.885,392 2.117,393 2.863,394 2.469,395 4.176,396 2.406,397 1.433,398 1.902,400 3.673,401 1.367,402 2.83,403 1.909,404 4.16,405 2.361,406 1.387,407 1.87,409 3.654,410 1.329,411 2.5,412 1.88,413 3.741,414 2.032,415 1.021,416 1.5,418 2.474,419 1.006,420 2.5,421 1.706,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.484,430 1,431 3.414,432 2,433 1,434 1.33,436 2.275,437 1,438 1.71,439 1,440 3.109,441 1.34,442 0.398,443 0.471,445 1.004,446 0.364,447 1.115,448 0.709,449 2.599,450 0.78,451 -0.215,452 -0.261,454 -0.474,455 -0.212,456 1.114,457 0.6,458 2.151,459 0.753,460 -0.263,461 -0.335,463 -0.565,464 -0.265,465 0.738,466 0.373,467 2,468 0.348,469 -0.648,470 -0.806,472 -1.672,473 -0.629,474 12.667,475 0.452,476 0.902,477 0.032,478 35,479 1.25,480 18,481 0.643,482 17,483 0.607,484 21.898,485 0.782,486 31.133,487 0.677,488 32.696,489 1.168,490 7.606,491 0.272,492 5.579,493 0.199,494 0.237,496 0.395,501 0.788,502 1.103,503 0.714,504 1.077,505 0.722,506 0.917,507 0.575,508 1.047,509 0.699,510 1.046,511 0.468,512 0.95,513 0.817,514 1.189,515 0.97,516 1.197,517 0.846,518 1.155,519 1.169,520 1.034,521 0.984,522 1.011,523 1.171,524 0.947,525 0.998,526 0.772,527 0.762,528 0.746,529 0.958,530 0.684,531 1.063,532 1.265,533 0.857,534 1.224,535 1.053,536 1.024,537 1.691,538 0.947,539 1.237,540 0.909,541 1.507,542 0.903,543 1.51,544 1.02,545 1.216,546 0.996,547 1.516,548 0.995,549 7,550 0.082,551 4,552 1.875,553 1.964,554 1.417,555 0.733,556 0.549,557 0.534,558 0.254,559 8553,560 30211,561 1.896,562 39.1,563 6,564 10,567 2,572 1.715,573 1.714,574 3.421,575 0.282,577 1,582 68.587,583 1.491,584 3.393,585 3.795,586 3.969,587 3.969,588 3.969,589 2.896,590 3.379,591 4.777,592 3.562,593 1346.29,594 8.336,595 17789.3,597 1,599 1,600 254.084,601 1.577,602 4.693,603 0.241,604 0.005,605 0.1,606 0.045,607 0.049,608 0.033,609 0.017,610 0.014,611 0.017,612 0.01,613 0.531,614 0.33,615 1,616 0.96,617 140.165,618 -0.092,619 0.004,620 -0.01,621 0.013,622 -0.115,623 0.028,624 0.236,625 0.006,626 0.121,627 -0.001,628 0.189,629 0.012,630 0.139,631 -0.172,632 -0.082,633 -0.193,634 -0.035,635 -0.214,636 -0.016,637 -0.08,638 0.049,639 -0.067,640 -0.104,641 -0.004,642 0.35,643 0.182,644 0.294,645 0.18,646 0.434,647 0.208,648 0.07,649 -0.25,650 0.041,651 -0.24,652 0.196,653 -0.141,654 -0.367,655 0.012,656 -0.209,657 0.019,658 -0.214,659 -0.022,660 -0.344,661 -0.05,662 -0.221,663 -0.044,664 -0.282,665 -0.076,666 3.555,667 5.172,668 0.429,669 23.918,670 1.034,671 1.118,672 2.726,673 7.432,674 0.663,675 3.401,676 3.714,677 3.892,678 4.043,679 4.248,680 4.174,681 4.043,682 4.043,683 4.174,684 4.043,685 6.44,686 0.662,687 386.38,688 3.401,689 4.934,690 5.753,691 6.611,692 7.453,693 8.311,694 9.16,695 10.018,696 10.871,697 11.729,715 8,720 4,722 12,732 2,741 46,743 16,744 2,745 29,747 47,748 20,749 12,750 4,751 8,752 2,756 2,757 2,763 2,770 2,772 16,773 4,777 4,782 4,786 4,789 1,790 1,793 18,794 8,795 2,796 8,808 1,809 8,829 2,845 2,857 2,859 2,864 2,868 28,875 2,878 2,880 2,893 17.4,895 2,896 4,898 2,901 16.333,902 8.733,903 6.222,904 2.475,907 1.798,908 1.272,909 0.88,910 7.044,911 8.398,912 3.689,913 4.22,914 4.64,915 5.048,916 5.536,917 5.515,918 5.442,919 5.395,920 5.77,921 5.873,922 0.875,923 42,924 10.596,926 4.769,927 0.026,929 8.464,931 18.397,933 14.326,936 2.964,937 83,940 1,941 188.338,942 122.405,945 207.946,948 122.405,949 396.284,951 17.65,953 75.81,954 202.149,955 34.742,957 188.338,959 188.338,960 122.405,961 207.946,964 188.338,965 207.946,968 17.65,969 104.755,972 188.338,973 207.946,974 122.405,977 188.338,978 28.945,979 93.46,981 207.946,982 188.338,983 207.946,984 122.405,986 0.588,987 0.331,988 0.161,989 0.097,990 16,991 10,992 0.191,993 9,995 1,996 3.753,997 227.758,999 12,1000 98.606,1005 21.289,1006 9.265,1007 5.741,1009 207.946,1010 12.068,1015 1.792,1017 85.367,1018 518.689,1019 39,1024 47.339,1028 -5.621,1031 47.571,1032 51.412,1034 0.27,1035 0.614,1036 0.687,1037 0.719,1038 0.719,1039 0.719,1040 4.92,1041 1.387,1042 5.759,1043 3.673,1044 4.394,1045 4.905,1046 3.456,1047 6.541,1048 4.352,1049 6.128,1050 1.021,1051 7.319,1052 3.654,1053 4.111,1054 4.745,1055 2.882,1056 7.441,1057 4.054,1058 7.426,1059 1,1060 8.977,1061 2.474,1062 5.974,1063 6.975,1064 4.795,1065 10.473,1066 5.883,1067 8.75,1068 1,1069 10.688,1070 2.275,1071 6.431,1072 7.514,1073 4.924,1074 12.163,1075 6.315,1076 10.098,1077 0.398,1078 12.434,1079 2.275,1080 7.826,1081 9.298,1082 6.32,1083 14.738,1084 7.677,1085 11.462,1086 -0.215,1087 14.204,1088 1.004,1089 8.611,1090 10.151,1091 6.803,1092 16.77,1093 8.424,1094 12.838,1095 -0.263,1096 15.991,1097 -0.474,1098 9.822,1099 11.743,1100 7.957,1101 19.181,1102 9.603,1103 3.088,1104 -0.648,1105 17.792,1106 -0.565,1107 10.763,1108 12.767,1109 8.629,1110 21.37,1111 10.5,1112 2.816,1113 10.43,1114 19.604,1115 -1.672,1116 11.9,1117 14.257,1118 9.657,1119 23.722,1120 11.6,1121 2.729,1122 8.65,1123 21.425,1124 3.766,1125 12.919,1126 15.384,1127 10.43,1128 25.985,1129 12.571,1130 2.317,1131 8.427,1132 23.253,1133 3.756,1134 14.028,1135 16.813,1136 11.394,1137 28.318,1138 13.639,1139 2.252,1140 6.293,1141 25.088,1142 3.306,1143 15.087,1144 18.007,1145 12.22,1146 30.617,1147 14.647,1148 2.15,1149 6,1150 26.928,1151 3.02,1152 16.188,1153 19.397,1154 13.149,1155 32.947,1156 15.702,1157 1.433,1158 5.885,1159 28.773,1160 2.964,1161 17.268,1162 20.635,1163 14.004,1164 35.265,1165 16.73,1166 8713,1167 16581,1168 17.918,1169 30.489,1170 44.144,1171 45.788,1172 45.853,1173 43.178,1174 43.181,1175 56.15,1176 17.292,1177 122.081,1178 42.287,1179 5.201,1180 5.998,1181 6.021,1182 5.13,1183 5.088,1184 6.766,1185 4.242,1186 17.264,1187 4.928,1188 19.086,1189 1.522,1190 1.579,1191 1.581,1192 1.489,1193 1.489,1194 1.936,1195 0.596,1196 4.21,1197 1.458,1198 3.969,1199 3.986,1200 3.915,1201 3.893,1202 7.481,1203 3.892,1204 3.921,1205 3.943,1206 3.863,1207 3.861,1208 7.469,1209 3.857,1210 3.734,1211 3.731,1212 3.681,1213 3.518,1214 7.433,1215 3.558,1216 3.392,1217 3.391,1218 3.345,1219 3.169,1220 7.43,1221 3.195,1222 3.3,1223 3.328,1224 3.229,1225 3.124,1226 6.353,1227 3.134,1228 3.251,1229 3.244,1230 3.194,1231 2.922,1232 6.349,1233 2.995,1234 2.944,1235 2.973,1236 2.774,1237 2.735,1238 4.739,1239 2.715,1240 2.93,1241 2.968,1242 2.745,1243 2.735,1244 4.709,1245 2.715,1246 0.147,1247 0.138,1248 0.228,1249 0.139,1250 0.106,1251 4.267,1252 0.13,1253 3.998,1254 0.084,1255 6.607,1256 0.36,1257 4.04,1258 0.101,1259 3.088,1260 3.766,1261 2.43,1262 10.43,1263 2.928,1264 1.925,1265 1.904,1266 2.041,1267 2.02,1268 1.14,1269 2.023,1270 1.921,1271 1.898,1272 2.039,1273 2.004,1274 1.136,1275 2.015,1276 1.607,1277 1.606,1278 1.724,1279 1.852,1280 0.977,1281 1.808,1282 1.29,1283 1.261,1284 1.552,1285 1.539,1286 0.622,1287 1.518,1288 1.254,1289 1.21,1290 1.538,1291 1.469,1292 0.618,1293 1.484,1294 1.052,1295 1.061,1296 1.185,1297 1.424,1298 0.218,1299 1.358,1300 0.886,1301 0.821,1302 1.181,1303 1.178,1304 0.218,1305 1.116,1306 0.886,1307 0.821,1308 1.181,1309 1.165,1310 0.079,1311 1.112,1312 4.078,1314 5.389,1316 6.878,1318 8.445,1320 10.051,1322 3.584,1327 18.641,1330 9.641,1332 -4.443,1340 30.46,1341 68.587,1342 156.084,1343 174.574,1344 182.574,1345 182.574,1346 182.574,1347 95.002,1348 6.6,1349 127.2,1350 127.2,1351 12,1352 12.282,1353 4.087,1354 3.459,1355 61.6,1356 104,1357 118,1358 0.28,1359 190.526,1360 351.96,1361 456.645,1362 5390,1364 20.845,1365 0.744,1366 0.54,1367 20.845,1368 15.117,1369 13.184,1370 0.455,1371 0.283,1372 8.051,1373 12.544,1374 7.827,1375 6.519,1376 13.184,1377 8.197,1378 12.282,1379 0.307,1380 0.152,1381 12.282,1382 6.06,1383 9.281,1384 0.193,1385 0.079,1386 9.281,1387 3.804,1388 6.836,1389 0.122,1390 0.04,1391 6.836,1392 2.229,1393 5.726,1394 0.083,1395 0.022,1396 5.726,1397 1.487,1398 0.435,1399 84.204,1400 0.236,1401 26.656,1402 0.782,1403 138,1404 572.713,1405 159.92,1406 530.263,1407 677.58,1408 486,1409 157,1410 458.333,1411 177.485,1412 456.472,1413 664.19,1414 425,1415 7.208}
{0 CHEMBL174710,1 1.297,2 26.423,3 9.008,4 81.14,5 219.117,6 5.74,7 0.226,8 4.849,9 4.998,10 4.162,11 4.309,12 5.743,13 4.232,14 5.458,15 5.696,16 4.424,17 4.682,18 6.234,19 4.564,20 5.732,21 5.995,22 4.529,23 4.879,24 6.495,25 4.73,26 5.89,27 6.164,28 4.503,29 4.967,30 6.643,31 4.785,32 5.957,33 6.259,34 4.5,35 5.007,36 6.621,37 4.805,38 5.96,39 6.255,40 4.499,41 5.01,42 6.656,43 4.811,44 5.963,45 6.256,46 4.399,47 4.993,48 6.659,49 4.772,50 5.933,51 6.253,52 4.284,53 4.908,54 6.559,55 4.664,56 0.146,57 1.688,58 31.745,59 12.43,60 20.316,61 18.179,62 0.584,63 2.627,64 55.531,65 18.99,66 42.652,67 28.929,68 0.602,69 3.234,70 70.889,71 24.754,72 61.383,73 37.413,74 0.894,75 3.556,76 81.679,77 28.655,78 88.066,79 42.849,80 0.699,81 3.739,82 84.686,83 30.67,84 74.031,85 46.149,86 0.768,87 3.727,88 85.703,89 30.736,90 82.401,91 45.986,92 0.96,93 3.651,94 85.676,95 31.405,96 90.979,97 46.211,98 0.614,99 3.452,100 80.663,101 29.636,102 69.669,103 44.518,104 117,105 66,106 0.183,107 0.392,108 0.623,109 0.704,110 0.739,111 0.739,112 3.972,113 1.147,114 -6.21,115 -6.05,116 -5.62,121 34.9,122 4,123 14,126 4,127 6,129 2,144 8,145 2,146 2,160 2,176 19,179 2,180 18,187 18,192 14,200 9,205 2,206 16,214 14,219 12,227 17,232 10,239 26,243 4,244 6,251 26,256 4,264 16,268 1,269 18,277 14,281 8364,282 34.744,283 34.744,284 34.744,285 34.744,286 34.744,287 32.981,288 43.467,289 21.5,290 35.496,291 25.984,292 25.984,293 25.984,294 25.984,295 25.984,296 23.182,297 53.336,298 10.021,299 26.936,300 5.68,301 4.206,302 2.568,303 1.993,304 1.746,305 1.746,306 4.644,313 2794,314 6.928,318 501.266,325 4.391,326 35.786,329 0.5,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.68,337 110,338 1374,339 4.212,340 3.7,341 6.198,342 3.871,343 2.913,344 3.806,345 1.94,346 9.231,347 2.794,348 4.212,349 3.7,350 6.198,351 3.871,352 2.913,353 3.806,354 1.94,355 9.231,356 2.794,357 3.897,358 3.229,359 5.872,360 3.68,361 2.711,362 3.063,363 0.916,364 7.932,365 2.621,366 3.897,367 3.229,368 5.872,369 3.679,370 2.71,371 3.063,372 0.916,373 7.932,374 2.62,375 3.676,376 2.896,377 5.843,378 3.547,379 2.607,380 2.703,381 0.86,382 7.911,383 2.445,384 3.676,385 2.896,386 5.843,387 3.547,388 2.606,389 2.703,390 0.86,391 7.911,392 2.445,393 2.934,394 2.234,395 4.39,396 2.904,397 1.904,398 2.09,399 0.555,400 4.191,401 1.902,402 2.917,403 2.219,404 4.39,405 2.783,406 1.794,407 2.09,408 0.555,409 4.191,410 1.77,411 2.917,412 2.009,413 4.155,414 2.722,415 1.732,416 2.007,417 0.172,418 4.051,419 1.712,420 2.88,421 2.009,422 4.137,423 2.578,424 1.599,425 2.007,426 0.172,427 3.958,428 1.573,429 2.88,430 1.796,431 3.877,432 2.548,433 1.594,434 1.933,436 3.593,437 1.519,438 2.824,439 1.756,440 3.856,441 2.54,442 1.565,443 1.82,445 3.368,446 1.514,447 2.732,448 1.752,449 3.778,450 2.452,451 1.468,452 1.732,454 3.201,455 1.435,456 2.641,457 1.552,458 3.635,459 2.45,460 1.463,461 1.626,463 3.059,464 1.435,465 2.51,466 1.552,467 3.628,468 2.39,469 1.4,470 1.478,472 3.043,473 1.379,474 24.933,475 0.479,476 1.021,477 0.02,478 47,479 0.904,480 16,481 0.308,482 31,483 0.596,484 74.209,485 1.427,486 63.267,487 0.502,488 37.699,489 0.725,490 8.429,491 0.162,492 16.636,493 0.32,494 0.187,496 0.225,501 0.801,502 1.678,503 1.097,504 1.468,505 0.622,506 1.332,507 1.145,508 1.16,509 1.102,510 1.069,511 0.642,512 1.068,513 1.086,514 1.12,515 1.074,516 1.089,517 0.947,518 1.071,519 1.249,520 1.08,521 1.14,522 1.074,523 1.451,524 1.096,525 0.825,526 1.002,527 0.958,528 0.994,529 0.924,530 0.988,531 1.018,532 0.988,533 1.03,534 1.012,535 0.988,536 1.019,537 1.074,538 0.988,539 1.106,540 1.056,541 1.055,542 1.088,543 0.658,544 1.056,545 0.921,546 1.052,547 0.821,548 1.022,549 8.5,550 0.306,551 5.556,552 2.625,553 2.284,554 1.528,555 0.898,556 0.542,557 0.436,558 0.331,559 71977,560 140429,561 1.922,562 58.7,563 16,564 34,568 4,569 20,572 1.85,573 1.793,574 4.597,575 -0.842,582 163.423,583 1.297,584 2.771,585 4.409,586 4.985,587 5.231,588 5.231,589 3.95,590 4.624,591 5.677,592 4.91,593 6511,594 10.039,595 176673,600 879.137,601 1.403,602 5.624,603 0.16,604 0.006,605 0.084,606 0.037,607 0.035,608 0.023,609 0.014,610 0.01,611 0.009,612 0.006,613 0.383,614 0.17,615 0.63,616 0.852,617 338.063,618 0.049,619 -0.272,620 0.046,621 -0.135,622 0.015,623 -0.06,624 -0.007,625 0.032,626 -0.009,627 0.015,628 0.047,629 0.006,630 -0.055,631 -0.012,632 -0.03,633 -0.04,634 0.011,635 -0.029,636 -0.069,637 -0.046,638 -0.108,639 -0.055,640 -0.113,641 -0.084,642 -0.019,643 -0.008,644 0.011,645 0.001,646 -0.033,647 0.009,648 -0.062,649 0.011,650 -0.04,651 -0.015,652 -0.045,653 -0.022,654 -0.034,655 -0.012,656 -0.116,657 -0.055,658 -0.072,659 -0.092,660 0.034,661 -0.124,662 0.008,663 -0.079,664 -0.021,665 -0.045,666 1.399,667 5.679,668 0.231,669 109.988,670 0.981,671 1.138,672 4.981,673 24.806,674 0.607,675 3.989,676 4.205,677 4.357,678 4.419,679 4.522,680 4.466,681 4.407,682 4.344,683 4.357,684 4.29,685 15.912,686 0.551,687 723.22,688 3.989,689 5.476,690 6.263,691 7.072,692 7.877,693 8.69,694 9.502,695 10.317,696 11.133,697 11.95,698 3.2,701 2,705 2,715 8,720 4,722 12,739 2,741 126,743 14,744 2,745 53,747 127,748 44,749 12,750 4,751 8,756 2,757 2,763 4,770 16,772 14,773 30,777 2,782 2,786 2,793 74,794 8,796 8,802 4,808 1,809 4,829 2,844 2,855 2,859 2,864 8,868 52,876 20,878 2,880 2,881 4,893 3.2,896 2,898 2,901 29,902 24.3,903 12.25,904 8.442,907 1.466,908 1.192,909 0.898,910 23.902,911 9.113,912 4.127,913 4.5,914 4.848,915 5.14,916 5.504,917 5.381,918 5.411,919 5.435,920 5.478,921 5.347,922 0.941,923 71,924 19.4,926 7.561,927 0.026,929 7.494,931 38.677,933 30.324,936 1.994,937 103.667,941 871.062,942 224.055,943 12.497,945 72.29,948 224.055,949 943.351,950 12.497,951 73.86,952 54.366,953 75.81,954 59.699,955 45.106,957 871.062,959 871.062,960 236.552,961 72.29,964 635.64,965 307.712,968 95.916,969 140.636,972 871.062,973 84.787,974 224.055,977 871.062,978 74.385,979 162.167,981 72.29,982 871.062,983 84.787,984 224.055,986 0.556,987 0.318,988 0.152,989 0.078,990 18,991 12,992 0.228,993 29,995 1,996 6.238,997 453.866,999 12,1000 240.423,1005 45.715,1006 27.188,1007 18.943,1009 84.787,1010 16.505,1015 4.335,1018 1179.9,1019 61,1024 25.357,1028 0.535,1031 123.642,1032 143.363,1034 0.186,1035 0.397,1036 0.632,1037 0.714,1038 0.75,1039 0.75,1040 5.333,1041 1.794,1042 6.196,1043 4.191,1044 4.89,1045 5.187,1046 3.013,1047 6.889,1048 4.821,1049 6.437,1050 1.732,1051 7.695,1052 4.191,1053 4.29,1054 4.745,1055 2.339,1056 7.633,1057 4.157,1058 7.671,1059 1.599,1060 9.3,1061 4.051,1062 6.372,1063 7.076,1064 3.737,1065 10.657,1066 6.221,1067 8.939,1068 1.594,1069 10.97,1070 3.958,1071 6.635,1072 7.497,1073 3.823,1074 12.252,1075 6.405,1076 10.244,1077 1.565,1078 12.683,1079 3.593,1080 8.131,1081 9.318,1082 4.841,1083 14.758,1084 7.892,1085 11.574,1086 1.468,1087 14.422,1088 3.368,1089 8.796,1090 10.143,1091 5.232,1092 16.682,1093 8.481,1094 12.924,1095 1.463,1096 16.18,1097 3.201,1098 10.043,1099 11.751,1100 6.078,1101 18.998,1102 9.713,1103 2.913,1104 1.4,1105 17.95,1106 3.059,1107 10.901,1108 12.785,1109 6.605,1110 21.064,1111 10.504,1112 2.913,1113 9.231,1114 19.728,1115 3.043,1116 12.035,1117 14.285,1118 7.363,1119 23.306,1120 11.617,1121 2.711,1122 9.231,1123 21.512,1124 3.806,1125 12.987,1126 15.435,1127 7.956,1128 25.439,1129 12.51,1130 2.71,1131 7.932,1132 23.3,1133 3.806,1134 14.069,1135 16.874,1136 8.669,1137 27.653,1138 13.565,1139 2.607,1140 7.932,1141 25.092,1142 3.063,1143 15.067,1144 18.094,1145 9.296,1146 29.82,1147 14.511,1148 2.606,1149 7.911,1150 26.885,1151 3.063,1152 16.127,1153 19.495,1154 9.985,1155 32.026,1156 15.54,1157 1.904,1158 7.911,1159 28.681,1160 2.703,1161 17.148,1162 20.758,1163 10.629,1164 34.212,1165 16.514,1166 71454,1167 99998,1168 33.978,1169 76.49,1170 74.883,1171 76.929,1172 77.755,1173 74.471,1174 74.465,1175 85.222,1176 17.779,1177 191.931,1178 71.994,1179 5.205,1180 5.7,1181 6.088,1182 4.897,1183 4.913,1184 6.806,1185 3.348,1186 15.503,1187 4.794,1188 34.914,1189 1.413,1190 1.451,1191 1.467,1192 1.405,1193 1.405,1194 1.608,1195 0.335,1196 3.621,1197 1.358,1198 3.996,1199 4.041,1200 3.914,1201 3.894,1202 7.429,1203 3.893,1204 3.928,1205 3.962,1206 3.863,1207 3.846,1208 7.425,1209 3.846,1210 3.85,1211 3.902,1212 3.736,1213 3.713,1214 4.878,1215 3.706,1216 3.796,1217 3.851,1218 3.684,1219 3.641,1220 4.847,1221 3.638,1222 3.751,1223 3.813,1224 3.606,1225 3.619,1226 4.401,1227 3.605,1228 3.709,1229 3.775,1230 3.583,1231 3.529,1232 4.394,1233 3.532,1234 3.66,1235 3.723,1236 3.522,1237 3.492,1238 4.339,1239 3.49,1240 3.581,1241 3.657,1242 3.403,1243 3.433,1244 4.305,1245 3.416,1246 0.079,1247 0.07,1248 0.117,1249 0.073,1250 0.055,1251 4.212,1252 0.072,1253 3.7,1254 0.037,1255 6.198,1256 0.174,1257 3.871,1258 0.053,1259 2.913,1260 3.806,1261 1.94,1262 9.231,1263 2.794,1264 1.916,1265 1.889,1266 2.06,1267 2.039,1268 1.412,1269 2.046,1270 1.916,1271 1.889,1272 2.055,1273 2.038,1274 1.368,1275 2.046,1276 1.818,1277 1.758,1278 2.047,1279 1.993,1280 1.365,1281 2.012,1282 1.78,1283 1.723,1284 1.991,1285 1.957,1286 1.237,1287 1.967,1288 1.76,1289 1.7,1290 1.983,1291 1.92,1292 1.214,1293 1.944,1294 1.684,1295 1.617,1296 1.919,1297 1.886,1298 1.202,1299 1.9,1300 1.647,1301 1.582,1302 1.9,1303 1.843,1304 1.073,1305 1.863,1306 1.601,1307 1.529,1308 1.879,1309 1.788,1310 1.071,1311 1.824,1312 4.673,1314 5.916,1316 7.332,1318 8.83,1320 10.372,1322 16.339,1328 19.779,1330 11.087,1332 0.913,1333 8.816,1340 69.383,1341 163.423,1342 349.188,1343 555.549,1344 628.079,1345 659.098,1346 659.098,1347 224.115,1348 7.647,1349 65.56,1350 65.56,1351 12,1352 12.533,1353 3.907,1354 3.17,1355 174.666,1356 516,1357 368,1358 0.154,1359 437.79,1360 781.28,1361 1059.97,1362 32849,1364 38.141,1365 0.733,1366 0.66,1367 38.141,1368 34.337,1369 25.065,1370 0.473,1371 0.382,1372 20.03,1373 24.192,1374 19.218,1375 16.28,1376 25.065,1377 20.267,1378 20.789,1379 0.315,1380 0.229,1381 20.789,1382 15.125,1383 16.259,1384 0.211,1385 0.134,1386 16.259,1387 10.353,1388 11.366,1389 0.139,1390 0.082,1391 11.366,1392 6.716,1393 8.439,1394 0.093,1395 0.05,1396 8.439,1397 4.528,1398 0.268,1399 156.244,1400 0.172,1401 47.165,1402 0.366,1403 238,1404 579.523,1405 257.178,1406 551.28,1407 735.74,1408 518,1409 262,1410 512.223,1411 281.958,1412 524.682,1413 743.94,1414 486,1415 7.14}
{0 CHEMBL175047,1 1.247,2 26.609,3 9.606,4 92.268,5 197.077,6 5.624,7 0.255,8 4.75,9 4.894,10 4.05,11 4.209,12 5.598,13 4.13,14 5.363,15 5.593,16 4.247,17 4.566,18 6.095,19 4.438,20 5.617,21 5.893,22 4.319,23 4.723,24 6.261,25 4.555,26 5.706,27 5.988,28 4.301,29 4.777,30 6.342,31 4.586,32 5.76,33 6.058,34 4.283,35 4.809,36 6.356,37 4.602,38 5.779,39 6.08,40 4.24,41 4.799,42 6.383,43 4.588,44 5.743,45 6.042,46 4.129,47 4.762,48 6.34,49 4.531,50 5.707,51 6.027,52 4.018,53 4.679,54 6.245,55 4.428,56 0.145,57 1.48,58 29.124,59 11.698,60 17.858,61 16.707,62 0.488,63 2.29,64 50.41,65 17.784,66 37.581,67 26.267,68 0.525,69 2.753,70 61.62,71 22.376,72 42.976,73 33.142,74 0.701,75 2.931,76 66.777,77 24.27,78 50.494,79 35.86,80 0.558,81 3.06,82 68.929,83 25.57,84 46.29,85 37.941,86 0.651,87 3.032,88 70.155,89 25.584,90 52.549,91 37.839,92 0.707,93 2.896,94 67.313,95 25.383,96 51.558,97 37.054,98 0.477,99 2.716,100 63.068,101 24.167,102 41.389,103 35.487,104 33,105 54,106 0.18,107 0.369,108 0.582,109 0.677,110 0.718,111 0.733,112 3.852,113 1.184,114 -6.39,115 -6.23,116 -5.78,121 35.1,122 2,123 14,126 2,127 10,144 8,145 2,146 2,176 19,180 14,187 16,192 12,200 9,205 2,206 12,214 10,219 8,227 13,232 6,239 20,243 2,244 4,251 22,256 2,264 16,268 1,269 8,277 14,281 6384,282 32.175,283 32.175,284 32.175,285 32.175,286 32.175,287 30.672,288 34.737,289 20.873,290 33.11,291 23.068,292 23.068,293 23.068,294 23.068,295 23.068,296 20.825,297 39.288,298 9.783,299 24.251,300 5.586,301 4.278,302 2.804,303 2.149,304 1.869,305 1.763,306 4.533,313 2500,314 6,318 438.186,325 4.442,326 22.1,329 0.5,330 0.5,331 0.5,332 0.8,333 1,334 0.5,335 0.5,336 0.61,337 97,338 1224,339 4.206,340 3.188,341 6.159,342 3.84,343 2.875,344 3.805,345 0.916,346 9.118,347 2.773,348 4.206,349 3.188,350 6.159,351 3.84,352 2.875,353 3.805,354 0.916,355 9.118,356 2.773,357 3.43,358 2.729,359 5.284,360 3.304,361 2.38,362 2.467,363 0.86,364 6.713,365 2.197,366 3.43,367 2.729,368 5.284,369 3.304,370 2.38,371 2.467,372 0.86,373 6.713,374 2.197,375 2.979,376 2.4,377 4.316,378 2.941,379 1.978,380 2.088,381 0.86,382 4.048,383 1.912,384 2.922,385 2.394,386 4.316,387 2.858,388 1.916,389 2.088,390 0.86,391 4.046,392 1.81,393 2.917,394 1.96,395 3.98,396 2.801,397 1.816,398 1.986,399 0.172,400 3.951,401 1.783,402 2.917,403 1.959,404 3.921,405 2.658,406 1.687,407 1.966,408 0.172,409 3.824,410 1.628,411 2.859,412 1.858,413 3.826,414 2.509,415 1.566,416 1.95,418 3.626,419 1.47,420 2.835,421 1.744,422 3.7,423 2.489,424 1.541,425 1.899,427 3.362,428 1.453,429 2.788,430 1.68,431 3.623,432 2.456,433 1.502,434 1.802,436 3.07,437 1.433,438 2.667,439 1.517,440 3.618,441 2.43,442 1.435,443 1.669,445 3.023,446 1.426,447 2.506,448 1.506,449 3.539,450 2.392,451 1.414,452 1.506,454 2.983,455 1.363,456 2.319,457 1.434,458 3.366,459 2.27,460 1.304,461 1.318,463 2.647,464 1.252,465 2.112,466 1.224,467 3.176,468 2.084,469 1.105,470 1.11,472 2.228,473 1.077,474 22.133,475 0.481,476 0.375,477 0.008,478 40,479 0.87,480 13,481 0.283,482 27,483 0.587,484 60.43,485 1.314,486 56.467,487 0.495,488 26.927,489 0.585,490 7.144,491 0.155,492 15.566,493 0.338,494 0.09,496 0.127,501 0.92,502 1.608,503 1.128,504 1.476,505 0.901,506 1.342,507 1.592,508 1.178,509 1.243,510 1.126,511 1.311,512 1.141,513 1.083,514 1.067,515 1.02,516 1.034,517 0.899,518 1.018,519 1.096,520 1.066,521 1.07,522 1.048,523 1.047,524 1.056,525 0.867,526 1.05,527 0.99,528 1.032,529 0.876,530 1.022,531 1.098,532 0.951,533 1.035,534 0.972,535 1.061,536 0.992,537 1.011,538 0.99,539 1.081,540 1.04,541 1.109,542 1.068,543 0.69,544 1.006,545 0.919,546 1.027,547 0.819,548 1.003,549 4.5,550 0.091,551 2.444,552 1.375,553 1.324,554 0.639,555 0.446,556 0.236,557 0.14,558 0.111,559 57483,560 107017,561 1.985,562 59.6,563 16,564 34,569 18,572 1.819,573 1.917,574 4.617,575 -0.865,582 142.125,583 1.247,584 2.555,585 4.029,586 4.684,587 4.964,588 5.07,589 3.969,590 4.524,591 5.502,592 4.926,593 5098.03,594 9.666,595 134233,600 778.949,601 0.966,602 5.485,603 0.096,604 0.003,605 0.045,606 0.024,607 0.025,608 0.012,609 0.009,610 0.005,611 0.004,612 0.003,613 0.225,614 0.33,615 0.63,616 0.733,617 293.841,618 0.06,619 -0.217,620 0.053,621 -0.132,622 0.108,623 -0.054,624 -0.156,625 -0.013,626 -0.113,627 -0.035,628 -0.085,629 -0.064,630 -0.036,631 -0.011,632 0.009,633 -0.007,634 0.055,635 0.005,636 -0.008,637 -0.039,638 -0.05,639 -0.036,640 -0.024,641 -0.048,642 -0.019,643 -0.045,644 -0.011,645 -0.034,646 -0.02,647 -0.023,648 -0.075,649 0.031,650 -0.044,651 0.003,652 -0.065,653 -0.014,654 -0.026,655 -0.018,656 -0.1,657 -0.049,658 -0.104,659 -0.079,660 0.028,661 -0.077,662 0.008,663 -0.058,664 -0.015,665 -0.031,666 0.674,667 2.393,668 0.261,669 95.078,670 0.98,671 1.136,672 5.164,673 26.664,674 0.605,675 3.871,676 4.007,677 4.159,678 4.263,679 4.357,680 4.263,681 4.19,682 4.111,683 4.06,684 4.007,685 16.189,686 0.546,687 641.1,688 3.871,689 5.313,690 6.08,691 6.862,692 7.646,693 8.439,694 9.233,695 10.034,696 10.835,697 11.641,698 1.8,701 2,715 8,720 4,722 12,739 2,741 114,743 12,744 2,745 47,747 115,748 40,749 12,750 4,751 8,756 2,757 2,763 2,770 14,772 12,773 28,793 68,794 6,796 6,802 2,808 1,809 4,829 2,855 2,858 2,859 2,864 4,868 46,876 24,878 4,881 2,893 3.5,897 2,898 2,901 24,902 20.733,903 11.306,904 7.975,907 1.524,908 1.205,909 0.903,910 24.792,911 8.97,912 3.989,913 4.304,914 4.677,915 5.042,916 5.419,917 5.254,918 5.265,919 5.253,920 5.221,921 5.129,922 0.941,923 57,924 17.129,926 6.529,927 0.026,929 7.341,931 34.732,933 26.938,936 1.841,937 84.667,941 800.435,942 198.572,943 6.249,945 44,948 198.572,949 844.434,950 6.249,951 39.417,952 66.487,953 75.81,954 22,955 45.106,957 800.435,959 800.435,960 204.82,961 44,964 588.555,965 233.88,966 22,968 90.386,969 114.434,972 800.435,973 50.248,974 198.572,977 800.435,978 83.345,979 121.475,981 44,982 800.435,983 50.248,984 198.572,986 0.527,987 0.3,988 0.157,989 0.081,990 12,991 6,992 0.27,993 31,995 1,996 6.107,997 364.245,999 12,1000 204.084,1005 40.383,1006 28.241,1007 19.595,1009 50.248,1010 16.724,1015 4.539,1018 1049.26,1019 53,1031 111.672,1032 129.536,1034 0.182,1035 0.374,1036 0.59,1037 0.685,1038 0.727,1039 0.742,1040 5.142,1041 1.687,1042 5.938,1043 3.951,1044 4.691,1045 4.99,1046 2.295,1047 6.547,1048 4.6,1049 6.183,1050 1.566,1051 7.361,1052 3.824,1053 3.611,1054 4.205,1055 0.57,1056 7.081,1057 3.445,1058 7.371,1059 1.541,1060 8.892,1061 3.626,1062 6.071,1063 6.85,1064 1.986,1065 10.18,1066 5.894,1067 8.598,1068 1.502,1069 10.5,1070 3.362,1071 5.994,1072 7.109,1073 0.674,1074 11.725,1075 5.735,1076 9.874,1077 1.435,1078 12.163,1079 3.07,1080 7.716,1081 9.11,1082 1.73,1083 14.252,1084 7.46,1085 11.184,1086 1.414,1087 13.865,1088 3.023,1089 8.177,1090 9.881,1091 0.66,1092 16.187,1093 7.848,1094 12.522,1095 1.304,1096 15.596,1097 2.983,1098 9.546,1099 11.589,1100 1.502,1101 18.518,1102 9.214,1103 2.875,1104 1.105,1105 17.348,1106 2.647,1107 10.297,1108 12.614,1109 0.611,1110 20.609,1111 9.905,1112 2.875,1113 9.118,1114 19.114,1115 2.228,1116 11.494,1117 14.169,1118 1.296,1119 22.867,1120 11.092,1121 2.38,1122 9.118,1123 20.891,1124 3.805,1125 12.396,1126 15.325,1127 0.55,1128 25.023,1129 11.943,1130 2.38,1131 6.713,1132 22.677,1133 3.805,1134 13.512,1135 16.794,1136 1.11,1137 27.252,1138 13.042,1139 1.978,1140 6.713,1141 24.468,1142 2.467,1143 14.49,1144 18.022,1145 0.487,1146 29.438,1147 13.976,1148 1.916,1149 4.048,1150 26.264,1151 2.467,1152 15.57,1153 19.44,1154 0.943,1155 31.655,1156 15.033,1157 1.816,1158 4.046,1159 28.064,1160 2.088,1161 16.586,1162 20.711,1163 0.427,1164 33.854,1165 16.009,1166 56732,1167 77592,1168 31.545,1169 68.956,1170 62.962,1171 64.129,1172 65.874,1173 63.174,1174 63.155,1175 71.85,1176 11.235,1177 150.715,1178 60.193,1179 5.198,1180 5.188,1181 6.141,1182 4.889,1183 4.875,1184 6.805,1185 1.776,1186 15.307,1187 4.773,1188 21.192,1189 1.34,1190 1.364,1191 1.402,1192 1.344,1193 1.344,1194 1.529,1195 0.239,1196 3.207,1197 1.281,1198 3.982,1199 4.022,1200 3.904,1201 3.887,1202 4.878,1203 3.886,1204 3.925,1205 3.956,1206 3.861,1207 3.845,1208 4.847,1209 3.844,1210 3.818,1211 3.87,1212 3.672,1213 3.687,1214 4.596,1215 3.673,1216 3.761,1217 3.82,1218 3.612,1219 3.619,1220 4.569,1221 3.607,1222 3.74,1223 3.804,1224 3.584,1225 3.611,1226 4.393,1227 3.594,1228 3.64,1229 3.703,1230 3.492,1231 3.452,1232 4.392,1233 3.449,1234 3.596,1235 3.669,1236 3.437,1237 3.412,1238 4.272,1239 3.408,1240 3.537,1241 3.612,1242 3.357,1243 3.376,1244 4.254,1245 3.362,1246 0.089,1247 0.068,1248 0.131,1249 0.082,1250 0.061,1251 4.206,1252 0.081,1253 3.188,1254 0.019,1255 6.159,1256 0.194,1257 3.84,1258 0.059,1259 2.875,1260 3.805,1261 0.916,1262 9.118,1263 2.773,1264 1.913,1265 1.887,1266 2.054,1267 2.032,1268 1.403,1269 2.039,1270 1.913,1271 1.887,1272 2.05,1273 2.031,1274 1.377,1275 2.039,1276 1.799,1277 1.742,1278 2.04,1279 1.97,1280 1.374,1281 1.996,1282 1.767,1283 1.708,1284 1.996,1285 1.935,1286 1.215,1287 1.958,1288 1.756,1289 1.693,1290 1.99,1291 1.916,1292 1.209,1293 1.945,1294 1.618,1295 1.555,1296 1.878,1297 1.836,1298 1.182,1299 1.851,1300 1.585,1301 1.511,1302 1.854,1303 1.8,1304 1.061,1305 1.822,1306 1.551,1307 1.476,1308 1.836,1309 1.75,1310 1.056,1311 1.784,1312 4.554,1314 5.74,1316 7.104,1318 8.561,1320 10.073,1322 8.005,1328 27.564,1330 22.812,1333 5.023,1340 62.286,1341 142.125,1342 291.233,1343 459.324,1344 533.93,1345 565.93,1346 577.93,1347 145.195,1348 7.446,1349 43.4,1350 43.4,1351 12,1352 12.235,1353 3.7,1354 2.807,1355 142.545,1356 465,1357 312,1358 0.138,1359 391.687,1360 695.36,1361 947.475,1362 27484,1364 32.92,1365 0.716,1366 0.655,1367 32.92,1368 30.117,1369 22.711,1370 0.483,1371 0.395,1372 18.327,1373 21.885,1374 17.792,1375 14.981,1376 22.711,1377 18.553,1378 17.094,1379 0.317,1380 0.232,1381 17.094,1382 12.536,1383 13.583,1384 0.216,1385 0.142,1386 13.583,1387 8.921,1388 10.146,1389 0.145,1390 0.085,1391 10.146,1392 5.953,1393 7.562,1394 0.098,1395 0.052,1396 7.562,1397 3.971,1398 0.244,1399 141.719,1400 0.178,1401 43.591,1402 0.317,1403 202,1404 484.232,1405 217.677,1406 449.909,1407 604.86,1408 430,1409 218,1410 410.589,1411 234.291,1412 418.559,1413 597.7,1414 390,1415 6.69}
{0 CHEMBL175555,1 1.31,2 15.821,3 8.086,4 65.38,5 167.6,6 6.653,7 0.5,8 4.458,9 4.59,10 3.978,11 4.074,12 5.34,13 3.993,14 5.057,15 5.255,16 4.324,17 4.508,18 5.853,19 4.389,20 5.358,21 5.607,22 4.46,23 4.679,24 6.1,25 4.526,26 5.385,27 5.638,28 4.437,29 4.684,30 6.117,31 4.51,32 5.365,33 5.606,34 4.315,35 4.682,36 6.064,37 4.498,38 5.439,39 5.702,40 4.165,41 4.674,42 6.086,43 4.462,44 5.479,45 5.782,46 3.997,47 4.587,48 6.052,49 4.341,50 5.326,51 5.64,52 3.911,53 4.403,54 5.902,55 4.18,56 0.093,57 1.161,58 19.794,59 8.332,60 11.521,61 11.631,62 0.223,63 2.02,64 38.362,65 14.844,66 22.033,67 20.652,68 0.322,69 2.613,70 53.076,71 19.914,72 34.132,73 27.685,74 0.443,75 2.71,76 58.068,77 20.637,78 38.619,79 28.173,80 0.338,81 2.621,82 56.597,83 21.153,84 31.371,85 28.696,86 0.305,87 2.683,88 55.598,89 22.354,90 32.392,91 31.23,92 0.317,93 2.676,94 59.387,95 23.391,96 33.94,97 32.534,98 0.332,99 2.303,100 49.74,101 18.871,102 30.574,103 26.894,104 2,105 60,106 0.198,107 0.48,108 0.67,109 0.795,110 0.854,111 0.884,112 3.692,113 1.099,114 -6.2,115 -6.04,116 -5.61,121 42,123 11,126 1,127 4,144 8,145 4,146 2,148 4,176 17,180 10,185 3,187 21,192 9,197 2,200 15,206 5,209 2,211 4,214 21,219 1,224 2,227 25,232 4,237 1,239 22,244 5,249 1,251 13,255 1,256 6,264 4,268 1,269 6,274 1,277 6,281 2978,282 27.38,283 27.38,284 27.38,285 27.38,286 27.38,287 24.805,288 25.648,289 16.705,290 27.85,291 21.822,292 21.822,293 21.822,294 21.822,295 21.822,296 17.774,297 25.311,298 7.976,299 22.594,300 5.03,301 3.171,302 1.921,303 1.096,304 0.701,305 0.503,306 4.417,313 1395,314 4.123,318 579.511,322 662.927,325 2.291,326 15.465,329 0.5,330 0.33,331 0.67,332 0.9,333 0.5,334 0.67,335 0.5,336 0.58,337 80,338 617,339 4.64,340 4.463,341 6.829,342 4.207,343 3.226,344 4.564,345 2.95,346 11.348,347 3.162,348 4.64,349 3.361,350 6.829,351 4.192,352 3.226,353 4.564,354 0.8,355 11.348,356 3.113,357 3.914,358 3.211,359 5.982,360 3.524,361 2.532,362 3.437,363 0.4,364 8.37,365 2.512,366 3.914,367 2.714,368 5.982,369 3.524,370 2.532,371 3.437,373 8.37,374 2.512,375 3.524,376 2.681,377 5.382,378 3.308,379 2.384,380 2.893,382 6.712,383 2.202,384 3.522,385 2.667,386 5.381,387 3.125,388 2.18,389 2.893,391 6.711,392 2.067,393 3.377,394 2.51,395 5.035,396 3.093,397 2.17,398 2.38,400 6.091,401 1.987,402 2.939,403 2.35,404 4.116,405 2.632,406 1.669,407 2.142,409 3.587,410 1.6,411 2.938,412 1.761,413 4.116,414 2.523,415 1.545,416 2.142,418 3.444,419 1.51,420 2.72,421 1.743,422 3.966,423 2.506,424 1.516,425 1.743,427 3.329,428 1.499,429 2.635,430 1.522,431 3.945,432 2.4,433 1.439,434 1.672,436 3.329,437 1.372,438 2.568,439 1.463,440 3.698,441 2.345,442 1.347,443 1.584,445 3.205,446 1.343,447 2.497,448 1.436,449 3.624,450 2.345,451 1.347,452 1.497,454 3.03,455 1.343,456 2.486,457 1.358,458 3.594,459 2.242,460 1.247,461 1.485,463 2.902,464 1.24,465 2.448,466 1.35,467 3.594,468 2.242,469 1.247,470 1.446,472 2.902,473 1.24,474 19.433,475 0.498,476 0.654,477 0.017,478 45.25,479 1.16,480 21,481 0.538,482 24.25,483 0.622,484 44.707,485 1.146,486 41.767,487 0.516,488 29.838,489 0.765,490 7.537,491 0.193,492 11.739,493 0.301,494 0.026,496 0.278,501 0.933,502 1.223,503 0.875,504 1.017,505 0.81,506 1.009,507 1.239,508 1.133,509 1.044,510 1.036,511 0.863,512 1.011,513 1.174,514 1.036,515 0.957,516 0.937,517 0.987,518 0.915,519 1.387,520 0.97,521 1.202,522 1.032,523 1.22,524 0.969,525 1.234,526 1.11,527 1.37,528 1.24,529 1.149,530 1.141,531 0.958,532 1.103,533 1.121,534 1.155,535 1.09,536 1.189,537 0.749,538 1.03,539 1.023,540 1.069,541 0.863,542 1.045,543 0.885,544 0.923,545 0.841,546 0.881,547 0.784,548 0.901,549 4.5,550 0.177,551 3.778,552 2.5,553 2.32,554 0.764,555 0.478,556 0.292,557 0.341,558 0.286,559 31660,560 58930,561 2.203,562 51.9,563 12,564 19,567 1,568 4,569 4,570 2,572 1.786,573 2.147,574 3.814,575 -0.485,582 106.077,583 1.31,584 3.169,585 4.419,586 5.244,587 5.639,588 5.837,589 3.03,590 4.67,591 5.269,592 4.129,593 3059.59,594 9.233,595 58036.7,600 513.528,601 1.018,602 5.251,603 0.102,604 0.005,605 0.063,606 0.038,607 0.039,608 0.014,609 0.01,610 0.008,611 0.009,612 0.008,613 0.296,614 0.17,615 0.5,616 0.271,617 224.785,618 0.066,619 -0.066,620 0.087,621 0.029,622 0.145,623 0.04,624 -0.051,625 -0.027,626 -0.003,627 -0.001,628 0.107,630 0.018,631 0.008,632 0.097,633 0.077,634 0.114,635 0.075,636 -0.018,637 0.103,638 -0.007,639 0.039,640 -0.034,641 0.017,642 -0.161,643 -0.057,644 -0.189,645 -0.14,646 -0.187,647 -0.128,648 -0.126,649 -0.129,650 -0.174,651 -0.17,652 -0.213,653 -0.192,654 0.023,655 -0.113,656 -0.05,657 -0.086,658 -0.046,659 -0.059,660 0.106,662 0.07,663 0.039,664 0.061,665 0.058,666 0.532,667 2.007,668 0.718,669 43.236,670 0.979,671 1.121,672 4.967,673 24.675,674 0.668,675 3.807,676 4.111,677 4.431,678 4.745,679 5.037,680 5.106,681 5.242,682 5.352,683 5.421,684 5.273,685 10.006,686 0.608,687 538.87,688 3.807,689 5.342,690 6.205,691 7.086,692 7.969,693 8.862,694 9.755,695 10.653,696 11.551,697 12.452,698 4.9,701 1,703 1,708 2,714 4,715 8,716 2,720 6,722 22,734 1,741 81,743 22,744 2,745 44,747 86,748 34,749 18,750 4,751 8,756 6,757 12,767 8,770 11,772 18,773 16,793 42,794 4,795 1,796 5,797 1,802 4,808 0.333,822 2,829 6,833 4,855 1,859 2,860 1,862 1,864 1,868 39,876 15,877 1,879 1,881 1,901 18.167,902 14.683,903 8.639,904 5.663,907 4.617,908 1.516,909 1.018,910 8.787,911 13.565,912 4.025,913 4.625,914 5.273,915 5.917,916 6.54,917 6.873,918 7.254,919 7.6,920 7.899,921 7.712,922 0.9,923 65,924 14.527,926 6.137,927 0.026,929 7.282,931 29.59,933 25.479,936 1.782,937 69.5,941 482.615,942 177.149,943 54.706,947 32.22,948 144.929,949 482.615,950 54.706,951 8.396,952 35.097,953 75.81,954 51.582,955 28.751,957 514.835,959 482.615,960 199.635,962 32.22,964 411.989,965 70.627,968 48.023,969 100.031,970 51.582,971 32.22,972 482.615,973 54.706,974 177.149,977 482.615,978 92.943,979 87.331,980 18.011,981 33.571,982 482.615,983 54.706,984 177.149,986 0.568,987 0.338,988 0.199,989 0.116,990 29,991 11,992 0.128,993 11,994 4,995 1.286,996 5.148,997 379.804,998 0.286,999 28,1000 204.131,1001 1,1005 26.752,1006 12.81,1007 6.166,1008 4.952,1009 54.706,1010 17.38,1011 9.99,1015 8.544,1017 18.011,1018 714.47,1019 55,1031 79.272,1032 90.802,1034 0.207,1035 0.5,1036 0.697,1037 0.827,1038 0.889,1039 0.921,1040 5.26,1041 1.669,1042 6.159,1043 6.091,1044 4.796,1045 5.313,1046 2.98,1047 6.976,1048 4.73,1049 6.438,1050 1.545,1051 7.708,1052 3.587,1053 4.205,1054 5.13,1055 0.325,1056 7.901,1057 4.104,1058 7.742,1059 1.516,1060 9.369,1061 3.444,1062 6.372,1063 7.572,1064 5.03,1065 11.075,1066 6.249,1067 9.09,1068 1.439,1069 11.1,1070 3.329,1071 6.698,1072 8.319,1073 0.268,1074 12.903,1075 6.543,1076 10.482,1077 1.347,1078 12.88,1079 3.329,1080 8.263,1081 10.204,1082 7.185,1083 15.578,1084 8.09,1085 11.904,1086 1.347,1087 14.691,1088 3.205,1089 9.039,1090 11.372,1091 0.188,1092 17.759,1093 8.837,1094 13.35,1095 1.247,1096 16.526,1097 3.03,1098 10.355,1099 13.038,1100 9.348,1101 20.273,1102 10.133,1103 3.226,1104 1.247,1105 18.377,1106 2.902,1107 11.347,1108 14.398,1109 0.125,1110 22.596,1111 11.096,1112 3.226,1113 11.348,1114 20.24,1115 2.902,1116 12.564,1117 15.974,1118 11.511,1119 25.055,1120 12.291,1121 2.532,1122 11.348,1123 22.113,1124 4.564,1125 13.654,1126 17.421,1127 0.082,1128 27.438,1129 13.352,1130 2.532,1131 8.37,1132 23.994,1133 4.564,1134 14.836,1135 18.961,1136 13.675,1137 29.877,1138 14.51,1139 2.384,1140 8.37,1141 25.881,1142 3.437,1143 15.97,1144 20.447,1145 0.054,1146 32.285,1147 15.615,1148 2.18,1149 6.712,1150 27.773,1151 3.437,1152 17.141,1153 21.973,1154 15.838,1155 34.718,1156 16.76,1157 2.17,1158 6.711,1159 29.67,1160 2.893,1161 18.294,1162 23.476,1163 0.035,1164 37.137,1165 17.885,1166 28469,1167 39011,1168 30.8,1169 54.137,1170 64.711,1171 68.299,1172 66.165,1173 64.808,1174 64.808,1175 81.861,1176 8.3,1177 182.381,1178 62.611,1179 5.608,1180 6.463,1181 6.599,1182 5.314,1183 5.226,1184 7.564,1185 5.9,1186 18.879,1187 5.162,1188 8.495,1189 1.471,1190 1.552,1191 1.504,1192 1.473,1193 1.473,1194 1.86,1195 0.189,1196 4.145,1197 1.423,1198 4.132,1199 4.162,1200 4.155,1201 4.072,1202 4.984,1203 4.066,1204 4.083,1205 4.109,1206 4.067,1207 4.025,1208 4.947,1209 4.024,1210 3.777,1211 3.851,1212 3.718,1213 3.655,1214 4.415,1215 3.641,1216 3.732,1217 3.781,1218 3.621,1219 3.65,1220 4.403,1221 3.635,1222 3.731,1223 3.78,1224 3.613,1225 3.612,1226 4.333,1227 3.598,1228 3.587,1229 3.658,1230 3.577,1231 3.464,1232 4.182,1233 3.431,1234 3.388,1235 3.468,1236 3.34,1237 3.258,1238 4.033,1239 3.222,1240 3.25,1241 3.303,1242 3.147,1243 3.152,1244 3.975,1245 3.134,1246 0.105,1247 0.101,1248 0.155,1249 0.096,1250 0.073,1251 4.64,1252 0.104,1253 4.463,1254 0.067,1255 6.829,1256 0.258,1257 4.207,1258 0.072,1259 3.226,1260 4.564,1261 2.95,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.158,1267 2.163,1268 1.437,1269 2.163,1270 2.067,1271 2.046,1272 2.143,1273 2.141,1274 1.435,1275 2.148,1276 1.754,1277 1.709,1278 1.986,1279 1.954,1280 1.322,1281 1.971,1282 1.754,1283 1.709,1284 1.949,1285 1.872,1286 1.208,1287 1.902,1288 1.749,1289 1.681,1290 1.948,1291 1.872,1292 1.146,1293 1.901,1294 1.599,1295 1.532,1296 1.857,1297 1.779,1298 1.13,1299 1.815,1300 1.367,1301 1.3,1302 1.642,1303 1.596,1304 0.862,1305 1.624,1306 1.261,1307 1.213,1308 1.471,1309 1.396,1310 0.758,1311 1.428,1312 4.489,1314 5.796,1316 7.321,1318 8.957,1320 10.657,1322 2.281,1328 17.938,1329 3.83,1331 2.074,1333 2.51,1340 49.282,1341 106.077,1342 256.656,1343 357.96,1344 424.773,1345 456.773,1346 472.773,1347 54.415,1348 8.948,1349 41.05,1350 66.35,1351 36,1352 12.974,1353 4.524,1354 3.585,1355 55.761,1356 246,1357 152,1358 0.107,1359 301.584,1360 515.11,1361 727.625,1362 151120,1364 26.443,1365 0.678,1366 0.623,1367 26.796,1368 24.292,1369 19.276,1370 0.438,1371 0.366,1372 15.14,1373 18.496,1374 14.685,1375 12.145,1376 19.73,1377 16.125,1378 16.66,1379 0.278,1380 0.208,1381 17.217,1382 12.471,1383 14.501,1384 0.175,1385 0.117,1386 15.197,1387 9.733,1388 12.706,1389 0.111,1390 0.067,1391 13.509,1392 7.675,1393 11.062,1394 0.072,1395 0.039,1396 11.825,1397 5.951,1398 0.178,1399 122.165,1400 0.18,1401 36.171,1402 0.268,1403 208,1404 416.129,1405 237.859,1406 439.552,1407 631.96,1408 420,1409 247,1410 470.142,1411 275.869,1412 494.783,1413 734.63,1414 471,1415 8.399}
{0 CHEMBL175949,1 1.387,2 15.634,3 7.345,4 53.955,5 171.872,6 6.83,7 0.478,8 4.484,9 4.613,10 4.02,11 4.098,12 5.407,13 4.024,14 5.079,15 5.271,16 4.376,17 4.527,18 5.936,19 4.416,20 5.386,21 5.63,22 4.514,23 4.696,24 6.191,25 4.558,26 5.397,27 5.63,28 4.499,29 4.715,30 6.219,31 4.558,32 5.426,33 5.66,34 4.386,35 4.729,36 6.195,37 4.555,38 5.495,39 5.749,40 4.251,41 4.72,42 6.227,43 4.519,44 5.537,45 5.836,46 4.146,47 4.635,48 6.187,49 4.404,50 5.384,51 5.694,52 4.046,53 4.465,54 6.021,55 4.256,56 0.081,57 1.183,58 19.647,59 8.484,60 9.928,61 11.633,62 0.259,63 2.051,64 38.56,65 15.17,66 24.902,67 20.835,68 0.388,69 2.669,70 54.578,71 19.939,72 40.94,73 27.447,74 0.496,75 2.745,76 58.453,77 20.641,78 47.047,79 27.697,80 0.411,81 2.746,82 59.852,83 22.156,84 41.594,85 29.684,86 0.416,87 2.807,88 58.968,89 23.457,90 48.605,91 32.446,92 0.429,93 2.818,94 63.406,95 24.08,96 49.583,97 33.652,98 0.385,99 2.442,100 55.851,101 20.497,102 38.352,103 28.56,104 6,105 63,106 0.209,107 0.494,108 0.677,109 0.799,110 0.857,111 0.886,112 3.741,113 1.083,114 -5.92,115 -5.78,116 -5.38,121 42.2,122 1,123 11,127 4,144 8,145 4,146 2,148 4,160 1,176 17,179 1,180 12,185 3,187 21,192 9,197 2,200 15,206 7,209 2,211 4,214 23,219 2,224 2,227 26,232 4,235 1,237 2,239 22,244 6,249 1,251 14,255 1,256 8,264 6,268 1,269 10,274 1,277 10,281 3614,282 28.587,283 28.587,284 28.587,285 28.587,286 28.587,287 25.829,288 26.597,289 17.34,290 29.02,291 22.79,292 22.79,293 22.79,294 22.79,295 22.79,296 18.457,297 25.314,298 8.232,299 23.509,300 4.988,301 3.095,302 1.874,303 1.069,304 0.684,305 0.491,306 4.462,313 1441,314 4.472,318 620.078,322 710.389,325 2.415,326 23.918,329 0.5,330 0.33,331 0.67,332 0.7,333 0.5,334 0.67,335 0.5,336 0.55,337 85,338 641,339 4.64,340 4.463,341 6.829,342 4.207,343 3.226,344 4.564,345 2.95,346 11.348,347 3.162,348 4.64,349 3.666,350 6.829,351 4.192,352 3.226,353 4.564,354 1.94,355 11.348,356 3.113,357 3.914,358 3.361,359 5.982,360 3.676,361 2.721,362 3.437,363 0.555,364 8.37,365 2.594,366 3.914,367 3.211,368 5.982,369 3.524,370 2.532,371 3.437,372 0.4,373 8.37,374 2.512,375 3.882,376 2.686,377 5.91,378 3.524,379 2.532,380 3.031,382 8.133,383 2.512,384 3.522,385 2.669,386 5.381,387 3.131,388 2.18,389 2.893,391 6.711,392 2.074,393 3.521,394 2.515,395 5.381,396 3.095,397 2.177,398 2.892,400 6.711,401 1.989,402 2.94,403 2.376,404 4.116,405 2.684,406 1.704,407 2.142,409 3.652,410 1.664,411 2.939,412 2.308,413 4.116,414 2.596,415 1.615,416 2.142,418 3.552,419 1.577,420 2.835,421 1.76,422 4,423 2.511,424 1.522,425 1.829,427 3.329,428 1.502,429 2.707,430 1.736,431 3.965,432 2.502,433 1.509,434 1.73,436 3.329,437 1.496,438 2.608,439 1.522,440 3.873,441 2.345,442 1.347,443 1.634,445 3.291,446 1.343,447 2.563,448 1.462,449 3.693,450 2.345,451 1.347,452 1.574,454 3.185,455 1.343,456 2.49,457 1.436,458 3.601,459 2.242,460 1.25,461 1.489,463 2.902,464 1.24,465 2.486,466 1.35,467 3.594,468 2.242,469 1.247,470 1.485,472 2.902,473 1.24,474 20.267,475 0.494,476 0.743,477 0.018,478 48,479 1.171,480 22.5,481 0.549,482 25.5,483 0.622,484 47.813,485 1.166,486 43.933,487 0.529,488 33.682,489 0.822,490 8.109,491 0.198,492 12.078,493 0.295,494 0.041,496 0.291,501 0.747,502 1.218,503 0.848,504 1.016,505 0.566,506 1,507 0.819,508 1.176,509 1.005,510 1.066,511 0.561,512 1.026,513 1.188,514 0.991,515 0.957,516 0.892,517 0.992,518 0.877,519 1.362,520 1.02,521 1.268,522 1.085,523 1.226,524 1.032,525 1.202,526 1.101,527 1.361,528 1.228,529 1.151,530 1.144,531 0.908,532 1.121,533 1.119,534 1.165,535 1.019,536 1.204,537 0.8,538 0.987,539 0.932,540 0.998,541 0.839,542 1.014,543 0.741,544 0.898,545 0.91,546 0.913,547 0.585,548 0.854,549 5,550 0.343,551 4.222,552 2.75,553 2.48,554 0.875,555 0.519,556 0.292,557 0.39,558 0.434,559 34418,560 68703,561 2.177,562 50.6,563 12,564 16,567 1,568 7,569 4,570 2,572 1.801,573 2.103,574 3.808,575 -0.473,582 115.126,583 1.387,584 3.28,585 4.501,586 5.306,587 5.691,588 5.884,589 3.065,590 4.675,591 5.34,592 4.132,593 3388.03,594 9.396,595 65132.9,600 529.128,601 1.128,602 5.316,603 0.109,604 0.006,605 0.067,606 0.04,607 0.039,608 0.015,609 0.01,610 0.007,611 0.009,612 0.009,613 0.311,614 0.17,615 0.5,616 0.474,617 238.238,618 0.027,619 -0.064,620 0.08,621 0.028,622 0.041,623 0.038,624 0.083,625 -0.075,626 0.011,627 -0.028,628 0.096,629 -0.016,630 -0.05,631 0.06,632 0.094,633 0.115,634 -0.013,635 0.104,636 -0.1,637 0.068,638 -0.08,639 -0.009,640 -0.109,641 -0.046,642 -0.157,643 -0.056,644 -0.204,645 -0.137,646 -0.139,647 -0.137,648 -0.041,649 -0.153,650 -0.176,651 -0.18,652 -0.082,653 -0.206,654 0.026,655 -0.069,656 0.018,657 -0.037,658 -0.021,659 -0.03,660 0.111,661 0.034,662 0.105,663 0.065,664 0.088,665 0.125,666 1.487,667 5.452,668 0.683,669 46.331,670 0.983,671 1.121,672 4.694,673 22.036,674 0.67,675 3.85,676 4.159,677 4.477,678 4.779,679 5.063,680 5.13,681 5.263,682 5.38,683 5.472,684 5.371,685 9.888,686 0.614,687 566.88,688 3.85,689 5.389,690 6.252,691 7.133,692 8.017,693 8.908,694 9.799,695 10.695,696 11.591,697 12.49,698 4.8,703 1,705 1,708 2,714 4,715 8,716 2,720 6,722 22,734 1,741 83,743 23,744 2,745 46,747 88,748 35,749 18,750 4,751 8,756 6,757 12,763 1,767 8,770 11,772 19,773 16,777 1,782 1,786 1,793 42,794 5,795 1,796 6,797 1,802 4,808 0.333,809 1,822 2,829 6,833 4,844 1,859 2,860 1,862 1,864 1,868 41,876 15,877 1,879 1,881 1,893 1.2,896 1,901 19.5,902 15.1,903 9.083,904 5.804,907 4.584,908 1.51,909 1.012,910 9.309,911 13.571,912 4.078,913 4.673,914 5.303,915 5.933,916 6.549,917 6.879,918 7.259,919 7.606,920 7.912,921 7.746,922 0.9,923 69,924 15.289,926 6.495,927 0.026,929 7.407,931 30.743,933 26.367,936 1.907,937 78.167,941 482.615,942 182.282,943 54.706,945 25.145,947 32.22,948 150.063,949 507.76,950 54.706,951 8.825,952 38.221,953 75.81,954 81.431,955 25.626,957 514.835,959 482.615,960 204.769,961 25.145,962 32.22,964 411.989,965 95.772,968 56.848,969 96.339,970 51.582,971 32.22,972 482.615,973 79.851,974 182.282,977 482.615,978 97.647,979 87.759,980 18.011,981 58.716,982 482.615,983 79.851,984 182.282,986 0.57,987 0.342,988 0.199,989 0.113,990 30,991 12,992 0.125,993 11,994 4,995 1.286,996 5.226,997 409.126,998 0.286,999 28,1000 219.66,1001 1,1005 28.346,1006 13.465,1007 6.509,1008 4.739,1009 79.851,1010 17.097,1011 9.951,1015 8.184,1017 18.011,1018 744.749,1019 58,1024 12.452,1028 0.179,1031 81.599,1032 93.011,1034 0.218,1035 0.515,1036 0.706,1037 0.832,1038 0.893,1039 0.923,1040 5.316,1041 1.704,1042 6.213,1043 6.711,1044 4.844,1045 5.361,1046 3.235,1047 7.034,1048 4.785,1049 6.499,1050 1.615,1051 7.769,1052 3.652,1053 4.29,1054 5.198,1055 1.668,1056 7.974,1057 4.205,1058 7.805,1059 1.522,1060 9.435,1061 3.552,1062 6.428,1063 7.61,1064 5.141,1065 11.134,1066 6.31,1067 9.155,1068 1.509,1069 11.171,1070 3.329,1071 6.781,1072 8.36,1073 3.13,1074 12.959,1075 6.634,1076 10.546,1077 1.347,1078 12.953,1079 3.329,1080 8.327,1081 10.229,1082 7.23,1083 15.623,1084 8.156,1085 11.966,1086 1.347,1087 14.765,1088 3.291,1089 9.115,1090 11.394,1091 4.539,1092 17.795,1093 8.913,1094 13.409,1095 1.25,1096 16.598,1097 3.185,1098 10.419,1099 13.052,1100 9.366,1101 20.301,1102 10.195,1103 3.226,1104 1.247,1105 18.447,1106 2.902,1107 11.412,1108 14.409,1109 5.912,1110 22.618,1111 11.156,1112 3.226,1113 11.348,1114 20.307,1115 2.902,1116 12.621,1117 15.981,1118 11.519,1119 25.071,1120 12.342,1121 2.721,1122 11.348,1123 22.176,1124 4.564,1125 13.707,1126 17.426,1127 7.263,1128 27.45,1129 13.399,1130 2.532,1131 8.37,1132 24.052,1133 4.564,1134 14.883,1135 18.965,1136 13.678,1137 29.886,1138 14.55,1139 2.532,1140 8.37,1141 25.934,1142 3.437,1143 16.012,1144 20.449,1145 8.602,1146 32.292,1147 15.65,1148 2.18,1149 8.133,1150 27.822,1151 3.437,1152 17.177,1153 21.975,1154 15.84,1155 34.722,1156 16.79,1157 2.177,1158 6.711,1159 29.713,1160 3.031,1161 18.326,1162 23.477,1163 9.936,1164 37.14,1165 17.91,1166 31163,1167 44197,1168 31.898,1169 55.592,1170 67.965,1171 72.028,1172 69.595,1173 67.946,1174 67.968,1175 86.105,1176 11.692,1177 192.129,1178 65.955,1179 5.608,1180 6.463,1181 6.597,1182 5.315,1183 5.226,1184 7.564,1185 5.9,1186 18.879,1187 5.162,1188 12.566,1189 1.478,1190 1.566,1191 1.513,1192 1.477,1193 1.478,1194 1.872,1195 0.254,1196 4.177,1197 1.434,1198 4.132,1199 4.162,1200 4.155,1201 4.072,1202 7.428,1203 4.067,1204 4.083,1205 4.109,1206 4.067,1207 4.025,1208 4.984,1209 4.024,1210 3.802,1211 3.864,1212 3.73,1213 3.657,1214 4.947,1215 3.644,1216 3.732,1217 3.781,1218 3.647,1219 3.65,1220 4.413,1221 3.635,1222 3.731,1223 3.78,1224 3.616,1225 3.624,1226 4.403,1227 3.619,1228 3.589,1229 3.658,1230 3.603,1231 3.472,1232 4.275,1233 3.436,1234 3.474,1235 3.533,1236 3.369,1237 3.296,1238 4.148,1239 3.287,1240 3.269,1241 3.324,1242 3.228,1243 3.181,1244 4.012,1245 3.151,1246 0.101,1247 0.097,1248 0.148,1249 0.091,1250 0.07,1251 4.64,1252 0.099,1253 4.463,1254 0.064,1255 6.829,1256 0.247,1257 4.207,1258 0.069,1259 3.226,1260 4.564,1261 2.95,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.158,1267 2.163,1268 1.437,1269 2.163,1270 2.067,1271 2.046,1272 2.143,1273 2.141,1274 1.435,1275 2.148,1276 1.757,1277 1.71,1278 1.977,1279 1.962,1280 1.318,1281 1.969,1282 1.754,1283 1.709,1284 1.949,1285 1.872,1286 1.206,1287 1.902,1288 1.753,1289 1.693,1290 1.948,1291 1.872,1292 1.145,1293 1.901,1294 1.6,1295 1.536,1296 1.856,1297 1.779,1298 1.129,1299 1.815,1300 1.432,1301 1.374,1302 1.695,1303 1.667,1304 0.85,1305 1.68,1306 1.273,1307 1.229,1308 1.504,1309 1.445,1310 0.758,1311 1.478,1312 4.533,1314 5.844,1316 7.37,1318 9.005,1320 10.702,1322 1.713,1328 16.06,1329 3.758,1331 1.997,1333 2.038,1340 50.997,1341 115.126,1342 272.257,1343 373.561,1344 440.373,1345 472.373,1346 488.373,1347 65.974,1348 8.988,1349 58.12,1350 83.42,1351 36,1352 13.013,1353 4.585,1354 3.7,1355 59.837,1356 250,1357 172,1358 0.111,1359 312.245,1360 538.56,1361 753.638,1362 155288,1364 28.02,1365 0.683,1366 0.615,1367 28.374,1368 25.2,1369 20.187,1370 0.439,1371 0.361,1372 15.614,1373 19.34,1374 15.159,1375 12.51,1376 20.641,1377 16.605,1378 17.559,1379 0.279,1380 0.201,1381 18.116,1382 12.674,1383 15.2,1384 0.175,1385 0.114,1386 15.896,1387 9.955,1388 13.201,1389 0.112,1390 0.066,1391 14.003,1392 7.832,1393 11.412,1394 0.073,1395 0.039,1396 12.175,1397 6.078,1398 0.182,1399 128.084,1400 0.177,1401 37.396,1402 0.283,1403 218,1404 479.864,1405 250.74,1406 496.583,1407 703.06,1408 472,1409 259,1410 517.834,1411 289.863,1412 538.976,1413 798.72,1414 514,1415 8.288}
{0 CHEMBL1761991,1 1.224,2 9.652,3 4.118,4 16.96,5 94.248,6 6.987,7 0.846,8 3.846,9 3.968,10 3.391,11 3.477,12 4.858,13 3.428,14 4.363,15 4.534,16 3.709,17 3.867,18 5.291,19 3.794,20 4.648,21 4.877,22 3.76,23 4.012,24 5.475,25 3.902,26 4.669,27 4.908,28 3.593,29 3.987,30 5.458,31 3.838,32 4.66,33 4.917,34 3.381,35 3.903,36 5.384,37 3.709,38 4.58,39 4.878,40 3.198,41 3.7,42 5.235,43 3.495,44 4.351,45 4.641,46 3.217,47 3.539,48 5.074,49 3.39,50 4.171,51 4.417,52 3.286,53 3.548,54 5.018,55 3.439,56 0.044,57 0.576,58 9.129,59 3.911,60 7.91,61 5.451,62 0.11,63 0.985,64 16.246,65 6.375,66 12.95,67 8.999,68 0.155,69 1.283,70 22.799,71 8.948,72 18.196,73 12.761,74 0.183,75 1.295,76 23.492,77 9.444,78 19.437,79 13.433,80 0.116,81 1.229,82 23.479,83 10.11,84 19.323,85 14.389,86 0.127,87 1.139,88 22.56,89 9.241,90 18.492,91 13.307,92 0.117,93 0.926,94 17.843,95 6.963,96 15.5,97 10.056,98 0.097,99 0.776,100 14.282,101 5.725,102 13.28,103 8.165,105 35,106 0.21,107 0.445,108 0.591,109 0.715,110 0.747,111 0.747,112 3.188,113 0.963,114 -5.11,115 -5,116 -4.68,121 48.8,123 1,127 2,144 12,145 2,147 2,148 2,176 12,187 12,189 8,200 10,203 6,214 12,216 2,217 1,227 8,239 2,241 6,253 6,264 9,266 2,277 18,281 644,282 16.259,283 16.259,284 16.259,285 16.259,286 16.259,287 13.685,288 9.487,289 9.881,290 16.472,291 12.88,292 12.88,293 12.88,294 12.88,295 12.88,296 9.12,297 7.5,298 4.659,299 13.243,300 4.202,301 2.833,302 1.977,303 1.256,304 1.07,305 1.07,306 3.898,311 1,312 1,313 498,314 2.449,318 213.385,322 182.278,325 1.293,326 5.605,328 1,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 47,338 222,339 4.497,340 3.082,341 6.508,342 4.002,343 3.04,344 4.432,346 10.203,347 2.931,348 4.488,349 3.055,350 6.502,351 3.985,352 3.02,353 4.428,355 10.186,356 2.918,357 3.54,358 2.267,359 5.221,360 3.142,361 2.181,362 2.928,364 6.314,365 2.087,366 3.484,367 2.152,368 5.184,369 3.023,370 2.071,371 2.886,373 6.183,374 1.965,375 3.118,376 1.618,377 4.195,378 2.614,379 1.618,380 2.427,382 3.849,383 1.612,384 3.118,385 1.618,386 4.155,387 2.614,388 1.618,389 2.427,391 3.786,392 1.612,393 2.776,394 1.362,395 3.634,396 2.335,397 1.345,398 1.909,400 2.988,401 1.33,402 2.769,403 1.276,404 3.593,405 2.263,406 1.273,407 1.902,409 2.835,410 1.259,411 2.547,412 1.236,413 3.515,414 2.223,415 1.234,416 1.559,418 2.689,419 1.22,420 2.368,421 0.986,422 3.331,423 1.921,424 0.934,425 1.313,427 2.156,428 0.92,429 2.077,430 0.721,431 3.135,432 1.698,433 0.714,434 0.956,436 1.63,437 0.701,438 1.351,439 0.142,440 2.67,441 1.025,442 0.056,443 0.07,445 0.135,446 0.054,447 1.042,448 -0.301,449 2.355,450 0.618,451 -0.367,452 -0.492,454 -0.886,455 -0.361,456 0.882,457 -0.618,458 2.288,459 0.357,460 -0.618,461 -0.927,463 -1.478,464 -0.6,465 0.882,466 -0.618,467 2,468 0.357,469 -0.618,470 -0.927,472 -1.478,473 -0.6,474 11.3,475 0.491,476 0.342,477 0.015,478 32.5,479 1.413,480 18,481 0.783,482 14.5,483 0.63,484 15.337,485 0.667,486 22.9,487 0.533,488 20.561,489 0.894,490 6.504,491 0.283,492 4.911,493 0.214,496 0.248,501 0.987,502 1.226,503 0.831,504 0.987,505 0.85,506 0.916,507 1.593,508 1.152,509 1.034,510 0.993,511 0.994,512 0.983,513 1.422,514 1.021,515 0.99,516 0.929,517 0.885,518 0.933,519 1.337,520 0.969,521 1.181,522 1.056,523 1.141,524 1.099,525 0.773,526 1.164,527 1.151,528 1.223,529 1.175,530 1.212,531 0.827,532 1.046,533 0.946,534 1.013,535 0.936,536 0.991,537 1.125,538 0.896,539 0.799,540 0.788,541 0.754,542 0.777,543 1.257,544 0.669,545 0.815,546 0.671,547 0.782,548 0.709,549 2.5,550 0.041,551 2.444,552 1.25,553 0.791,554 0.25,555 0.201,556 0.188,557 0.132,558 0.091,559 6394,560 12612,561 2.223,562 46.5,564 16,566 2,570 2,572 1.654,573 2.19,574 3.244,575 -0.901,577 1,582 52.652,583 1.224,584 2.593,585 3.449,586 4.17,587 4.356,588 4.356,589 2.566,590 3.393,591 4.504,592 3.38,593 855.095,594 7.73,595 9956.15,597 1,599 1,600 233.329,601 0.828,602 4.498,603 0.096,604 0.003,605 0.07,606 0.035,607 0.027,608 0.011,609 0.011,610 0.009,611 0.006,612 0.004,613 0.273,614 0.5,615 1,617 108.21,618 0.125,619 -0.168,620 0.081,621 -0.042,622 0.079,623 0.006,624 -0.131,625 -0.068,626 -0.083,627 -0.068,628 -0.082,629 -0.072,630 -0.091,631 0.016,632 -0.008,633 0.018,634 0.033,635 0.011,636 -0.143,637 0.044,638 -0.204,639 -0.1,640 -0.201,641 -0.145,642 -0.033,643 -0.233,644 -0.182,645 -0.231,646 -0.234,647 -0.218,648 0.108,649 -0.108,650 0.064,651 -0.023,652 0.022,653 0.01,654 0.101,655 0.091,656 0.223,657 0.183,658 0.233,659 0.205,660 -0.104,661 0.342,662 0.172,663 0.299,664 0.226,665 0.261,666 0.475,667 0.348,668 0.87,669 15.478,670 0.98,671 1.11,672 3.876,673 15.022,674 0.695,675 3.296,676 3.584,677 3.892,678 4.159,679 4.369,680 4.29,681 4.369,682 4.454,683 4.554,684 4.466,685 5.883,686 0.646,687 300.43,688 3.296,689 4.812,690 5.666,691 6.532,692 7.398,693 8.268,694 9.137,695 10.008,696 10.876,697 11.748,698 4.7,708 2,714 4,715 14,721 2,722 22,741 43,743 22,744 2,745 26,747 46,748 21,749 18,750 4,751 8,756 4,757 6,770 1,772 18,773 3,790 1,793 20,796 2,802 2,803 2,808 0.5,822 2,829 4,833 2,859 2,868 23,876 3,901 10.5,902 7.667,903 5.111,904 2.778,907 4.533,908 1.617,909 1.049,910 3.932,911 11.876,912 3.638,913 4.29,914 4.97,915 5.603,916 6.18,917 6.358,918 6.713,919 7.052,920 7.409,921 7.141,922 1,923 36,924 8.481,926 3.549,927 0.026,929 7.377,931 16.862,933 14.07,936 1.877,937 43.167,938 0.001,940 1,941 235.422,942 147.99,943 3.798,948 147.99,949 235.422,950 3.798,952 6.746,953 113.715,954 27.34,955 27.529,957 211.88,959 235.422,960 151.788,964 211.88,965 23.542,968 29.129,969 118.861,970 3.798,972 235.422,973 3.798,974 147.99,977 235.422,978 16.18,979 135.608,982 235.422,983 3.798,984 147.99,986 0.567,987 0.344,988 0.2,989 0.106,990 18,991 6,992 0.087,993 4,994 2,995 1.2,996 3.694,997 184.799,998 0.2,999 20,1000 78.042,1005 14.194,1006 6.371,1007 2.914,1008 5.205,1010 30.106,1016 4.696,1018 387.21,1019 37,1031 42.156,1032 47.733,1034 0.226,1035 0.478,1036 0.636,1037 0.769,1038 0.803,1039 0.803,1040 4.824,1041 1.273,1042 5.609,1043 2.988,1044 4.263,1045 4.977,1047 6.399,1048 4.206,1049 6.029,1050 1.234,1051 7.143,1052 2.835,1053 3.611,1054 4.691,1056 7.273,1057 3.483,1058 7.331,1059 0.934,1060 8.786,1061 2.689,1062 5.814,1063 7.29,1065 10.407,1066 5.687,1067 8.678,1068 0.714,1069 10.501,1070 2.156,1071 6.089,1072 7.942,1074 12.183,1075 5.887,1076 10.064,1077 0.056,1078 12.262,1079 1.63,1080 7.675,1081 9.923,1083 14.792,1084 7.472,1085 11.479,1086 -0.367,1087 14.054,1088 0.135,1089 8.401,1090 11.026,1092 16.902,1093 8.135,1094 12.915,1095 -0.618,1096 15.868,1097 -0.886,1098 9.715,1099 12.734,1101 19.334,1102 9.437,1103 3.04,1104 -0.618,1105 17.697,1106 -1.478,1107 10.653,1108 14.049,1110 21.572,1111 10.323,1112 3.02,1113 10.203,1114 19.536,1115 -1.478,1116 11.849,1117 15.636,1119 23.938,1120 11.497,1121 2.181,1122 10.186,1123 21.384,1124 4.432,1125 12.883,1126 17.046,1128 26.226,1129 12.486,1130 2.071,1131 6.314,1132 23.237,1133 4.428,1134 14.028,1135 18.58,1137 28.566,1138 13.604,1139 1.618,1140 6.183,1141 25.094,1142 2.928,1143 15.104,1144 20.033,1146 30.874,1147 14.639,1148 1.618,1149 3.849,1150 26.955,1151 2.886,1152 16.228,1153 21.541,1155 33.204,1156 15.732,1157 1.345,1158 3.786,1159 28.818,1160 2.427,1161 17.322,1162 23.014,1164 35.519,1165 16.787,1166 5886,1167 8338,1168 18.375,1169 29.864,1170 38.256,1171 38.293,1172 38.712,1173 38.245,1174 38.209,1175 54.473,1177 105.906,1178 37.217,1179 5.369,1180 5.082,1181 6.198,1182 5.041,1183 5.04,1184 7.432,1186 16.993,1187 4.931,1189 1.471,1190 1.473,1191 1.489,1192 1.471,1193 1.47,1194 2.095,1196 4.073,1197 1.431,1198 4.138,1199 4.177,1200 4.088,1201 4.047,1202 4.945,1203 4.052,1204 4.076,1205 4.11,1206 4.032,1207 3.997,1208 4.902,1209 4.001,1210 3.621,1211 3.681,1212 3.497,1213 3.49,1214 4.375,1215 3.484,1216 3.482,1217 3.535,1218 3.38,1219 3.373,1220 4.348,1221 3.368,1222 3.373,1223 3.428,1224 3.238,1225 3.278,1226 4.052,1227 3.262,1228 3.131,1229 3.198,1230 3.018,1231 2.976,1232 3.895,1233 2.98,1234 2.945,1235 3.012,1236 2.805,1237 2.815,1238 3.659,1239 2.805,1240 2.711,1241 2.8,1242 2.545,1243 2.58,1244 3.421,1245 2.565,1246 0.173,1247 0.119,1248 0.25,1249 0.154,1250 0.117,1251 4.497,1252 0.17,1253 3.082,1255 6.508,1256 0.392,1257 4.002,1258 0.113,1259 3.04,1260 4.432,1262 10.203,1263 2.931,1264 2.081,1265 2.05,1266 2.174,1267 2.197,1268 1.367,1269 2.193,1270 2.057,1271 2.029,1272 2.143,1273 2.158,1274 1.275,1275 2.155,1276 1.624,1277 1.565,1278 1.851,1279 1.784,1280 1.096,1281 1.81,1282 1.481,1283 1.433,1284 1.666,1285 1.625,1286 0.727,1287 1.642,1288 1.398,1289 1.347,1290 1.614,1291 1.531,1292 0.66,1293 1.563,1294 1.114,1295 1.049,1296 1.354,1297 1.309,1298 0.524,1299 1.33,1300 0.952,1301 0.89,1302 1.202,1303 1.13,1304 0.287,1305 1.159,1306 0.744,1307 0.663,1308 1.105,1309 0.966,1310 0.207,1311 1.019,1312 3.97,1314 5.263,1316 6.781,1318 8.404,1320 10.077,1328 3.159,1340 27.784,1341 52.652,1342 111.497,1343 148.31,1344 179.329,1345 187.329,1346 187.329,1347 22.216,1348 7.343,1349 7.76,1350 7.76,1351 24,1352 12.29,1353 4.524,1354 3.585,1355 31.998,1356 84,1357 60,1358 0.188,1359 169.878,1360 277.06,1361 406.262,1362 16976,1364 15.485,1365 0.673,1366 0.574,1367 15.485,1368 13.204,1369 11.416,1370 0.439,1371 0.321,1372 8.29,1373 11.216,1374 8.131,1375 6.765,1376 11.416,1377 8.35,1378 9.73,1379 0.278,1380 0.175,1381 9.73,1382 6.13,1383 8.596,1384 0.179,1385 0.097,1386 8.596,1387 4.652,1388 7.502,1389 0.119,1390 0.055,1391 7.502,1392 3.49,1393 6.229,1394 0.08,1395 0.032,1396 6.229,1397 2.48,1398 0.297,1399 69.645,1400 0.233,1401 22.687,1402 0.507,1403 122,1404 238.666,1405 126.829,1406 245.715,1407 356.6,1408 234,1409 144,1410 279.07,1411 149.995,1412 287.441,1413 419.42,1414 274,1415 5.046}
{0 CHEMBL1761992,1 1.215,2 10.5,3 4.698,4 22.073,5 98.892,6 6.836,7 0.815,8 3.906,9 4.031,10 3.429,11 3.53,12 4.898,13 3.476,14 4.433,15 4.609,16 3.741,17 3.921,18 5.337,19 3.84,20 4.725,21 4.962,22 3.791,23 4.067,24 5.525,25 3.948,26 4.744,27 4.99,28 3.629,29 4.041,30 5.508,31 3.886,32 4.738,33 5.005,34 3.418,35 3.969,36 5.44,37 3.771,38 4.648,39 4.94,40 3.21,41 3.796,42 5.283,43 3.574,44 4.48,45 4.778,46 3.169,47 3.613,48 5.134,49 3.424,50 4.304,51 4.583,52 3.216,53 3.522,54 5.049,55 3.381,56 0.049,57 0.619,58 10.039,59 4.277,60 8.402,61 6.011,62 0.118,63 1.057,64 17.876,65 7.025,66 13.794,67 10.019,68 0.165,69 1.376,70 24.967,71 9.814,72 19.436,73 14.113,74 0.167,75 1.381,76 25.579,77 10.252,78 20.294,79 14.709,80 0.169,81 1.334,82 25.671,83 10.851,84 20.626,85 15.493,86 0.114,87 1.188,88 23.749,89 10.206,90 18.074,91 14.634,92 0.117,93 1.026,94 20.24,95 8.175,96 15.823,97 11.828,98 0.111,99 0.883,100 16.8,101 6.505,102 14.567,103 9.437,105 36,106 0.206,107 0.448,108 0.593,109 0.707,110 0.736,111 0.736,112 3.228,113 0.983,114 -5.32,115 -5.21,116 -4.87,121 47.8,123 2,127 2,144 12,145 2,147 2,148 2,176 13,187 12,189 8,200 10,203 8,214 12,216 2,227 14,230 1,239 8,251 2,253 6,266 6,277 9,279 2,281 728,282 16.966,283 16.966,284 16.966,285 16.966,286 16.966,287 14.393,288 9.487,289 10.381,290 17.179,291 13.38,292 13.38,293 13.38,294 13.38,295 13.38,296 9.62,297 5,298 4.906,299 13.743,300 4.309,301 2.877,302 2.022,303 1.348,304 1.174,305 1.174,306 3.938,311 1,312 1,313 564,314 2.646,318 233.873,322 199.598,325 1.417,326 5.878,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 49,338 252,339 4.494,340 3.074,341 6.506,342 3.997,343 3.034,344 4.43,346 10.196,347 2.927,348 4.491,349 3.064,350 6.505,351 3.99,352 3.026,353 4.429,355 10.193,356 2.922,357 3.527,358 2.252,359 5.21,360 3.132,361 2.171,362 2.916,364 6.274,365 2.08,366 3.5,367 2.184,368 5.196,369 3.054,370 2.1,371 2.9,373 6.227,374 1.995,375 3.118,376 1.618,377 4.19,378 2.614,379 1.618,380 2.427,382 3.853,383 1.612,384 3.118,385 1.618,386 4.165,387 2.614,388 1.618,389 2.427,391 3.799,392 1.612,393 2.779,394 1.496,395 3.679,396 2.482,397 1.492,398 1.91,400 3.176,401 1.475,402 2.77,403 1.281,404 3.596,405 2.266,406 1.276,407 1.904,409 2.847,410 1.263,411 2.631,412 1.262,413 3.558,414 2.252,415 1.261,416 1.652,418 2.777,419 1.248,420 2.398,421 1.051,422 3.365,423 1.988,424 1,425 1.359,427 2.276,428 0.986,429 2.225,430 0.851,431 3.218,432 1.808,433 0.823,434 1.132,436 1.884,437 0.81,438 1.609,439 0.397,440 2.853,441 1.352,442 0.374,443 0.45,445 0.849,446 0.365,447 1.158,448 -0.09,449 2.424,450 0.787,451 -0.189,452 -0.239,454 -0.456,455 -0.184,456 0.907,457 -0.471,458 2.319,459 0.5,460 -0.49,461 -0.657,463 -1.157,464 -0.485,465 0.882,466 -0.618,467 2.186,468 0.357,469 -0.618,470 -0.927,472 -1.478,473 -0.6,474 11.8,475 0.492,476 0.342,477 0.014,478 33,479 1.375,480 18,481 0.75,482 15,483 0.625,484 16.965,485 0.707,486 24.2,487 0.526,488 20.796,489 0.867,490 6.504,491 0.271,492 5.411,493 0.225,496 0.237,501 0.991,502 1.235,503 0.857,504 1.008,505 0.841,506 0.941,507 1.57,508 1.166,509 1.051,510 1.018,511 0.973,512 1.007,513 1.385,514 1.013,515 0.978,516 0.926,517 0.855,518 0.929,519 1.398,520 1.025,521 1.156,522 1.056,523 1.109,524 1.085,525 0.899,526 0.979,527 1.151,528 1.114,529 1.198,530 1.141,531 0.579,532 1.073,533 1,534 1.104,535 0.998,536 1.081,537 0.889,538 1.015,539 0.884,540 0.943,541 0.856,542 0.919,543 1.23,544 0.953,545 0.841,546 0.828,547 0.813,548 0.815,549 2.5,550 0.074,551 2.444,552 1.25,553 0.871,554 0.25,555 0.16,556 0.142,557 0.148,558 0.109,559 7495,560 14517,561 2.213,562 47.8,564 16,566 2,569 4,572 1.663,573 2.182,574 3.343,575 -0.905,582 55.869,583 1.215,584 2.647,585 3.501,586 4.176,587 4.35,588 4.35,589 2.626,590 3.418,591 4.566,592 3.502,593 966.637,594 7.841,595 11886.3,597 1,600 254.084,601 0.811,602 4.56,603 0.093,604 0.003,605 0.068,606 0.034,607 0.029,608 0.011,609 0.009,610 0.008,611 0.007,612 0.005,613 0.266,614 0.5,615 1,617 115.813,618 0.13,619 -0.161,620 0.079,621 -0.039,622 0.11,623 0.007,624 -0.115,625 -0.078,626 -0.081,627 -0.074,628 -0.046,629 -0.076,630 -0.068,631 0.02,632 0.011,633 0.028,634 0.068,635 0.025,636 -0.215,637 -0.015,638 -0.174,639 -0.095,640 -0.167,641 -0.125,642 -0.043,643 -0.027,644 -0.177,645 -0.13,646 -0.254,647 -0.155,648 0.092,649 -0.166,650 -0.021,651 -0.106,652 -0.086,653 -0.076,654 0.132,655 -0.066,656 0.118,657 0.032,658 0.086,659 0.067,660 0.077,661 0.049,662 0.169,663 0.129,664 0.187,665 0.149,666 0.438,667 0.364,668 0.833,669 17.333,670 0.979,671 1.112,672 4.095,673 16.766,674 0.688,675 3.332,676 3.611,677 3.912,678 4.174,679 4.382,680 4.29,681 4.344,682 4.394,683 4.477,684 4.344,685 6.393,686 0.637,687 314.46,688 3.332,689 4.844,690 5.694,691 6.555,692 7.418,693 8.284,694 9.149,695 10.017,696 10.883,697 11.751,698 4.3,708 2,714 4,715 14,721 2,722 22,741 46,743 22,744 2,745 27,747 49,748 22,749 18,750 4,751 8,756 4,757 6,770 2,772 18,773 4,790 1,793 22,796 2,802 2,803 2,808 0.5,822 2,829 4,833 2,859 2,868 24,876 4,901 11,902 8.167,903 5.361,904 3.028,907 4.495,908 1.609,909 1.04,910 4.413,911 11.881,912 3.664,913 4.304,914 4.977,915 5.607,916 6.182,917 6.353,918 6.691,919 7,920 7.323,921 6.866,922 0.857,923 37,924 8.86,926 3.691,927 0.026,929 7.361,931 17.678,933 14.736,936 1.861,937 44.667,938 0.001,940 1,941 258.964,942 150.524,943 3.798,948 150.524,949 258.964,950 3.798,952 9.28,953 113.715,954 27.34,955 27.529,957 235.422,959 258.964,960 154.323,964 211.88,965 47.084,968 31.664,969 118.861,970 3.798,972 258.964,973 3.798,974 150.524,977 258.964,978 18.715,979 135.608,982 258.964,983 3.798,984 150.524,986 0.564,987 0.341,988 0.199,989 0.106,990 18,991 6,992 0.102,993 5,994 2,995 1.2,996 3.825,997 192.323,998 0.2,999 20,1000 82.039,1005 15.132,1006 7,1007 3.285,1008 5.252,1010 30.211,1016 4.728,1018 413.287,1019 38,1031 45.04,1032 51.149,1034 0.22,1035 0.479,1036 0.634,1037 0.756,1038 0.787,1039 0.787,1040 4.848,1041 1.276,1042 5.631,1043 3.176,1044 4.29,1045 4.99,1047 6.412,1048 4.236,1049 6.046,1050 1.261,1051 7.159,1052 2.847,1053 3.611,1054 4.691,1056 7.273,1057 3.483,1058 7.343,1059 1,1060 8.797,1061 2.777,1062 5.832,1063 7.294,1065 10.41,1066 5.707,1067 8.687,1068 0.823,1069 10.508,1070 2.276,1071 6.089,1072 7.942,1074 12.183,1075 5.887,1076 10.07,1077 0.374,1078 12.266,1079 1.884,1080 7.684,1081 9.924,1083 14.792,1084 7.484,1085 11.483,1086 -0.189,1087 14.057,1088 0.849,1089 8.401,1090 11.026,1092 16.902,1093 8.135,1094 12.918,1095 -0.49,1096 15.869,1097 -0.456,1098 9.719,1099 12.735,1101 19.334,1102 9.443,1103 3.034,1104 -0.618,1105 17.698,1106 -1.157,1107 10.653,1108 14.049,1110 21.572,1111 10.323,1112 3.026,1113 10.196,1114 19.537,1115 -1.478,1116 11.85,1117 15.636,1119 23.938,1120 11.5,1121 2.171,1122 10.193,1123 21.384,1124 4.43,1125 12.883,1126 17.046,1128 26.226,1129 12.486,1130 2.1,1131 6.274,1132 23.237,1133 4.429,1134 14.028,1135 18.58,1137 28.566,1138 13.605,1139 1.618,1140 6.227,1141 25.094,1142 2.916,1143 15.104,1144 20.033,1146 30.874,1147 14.639,1148 1.618,1149 3.853,1150 26.955,1151 2.9,1152 16.228,1153 21.541,1155 33.203,1156 15.732,1157 1.492,1158 3.799,1159 28.819,1160 2.427,1161 17.322,1162 23.014,1164 35.519,1165 16.787,1166 6892,1167 9666,1168 19.068,1169 31.625,1170 39.546,1171 39.583,1172 40.079,1173 39.634,1174 39.586,1175 55.871,1177 108.703,1178 38.59,1179 5.393,1180 5.074,1181 6.198,1182 5.035,1183 5.034,1184 7.43,1186 16.976,1187 4.927,1189 1.465,1190 1.466,1191 1.484,1192 1.468,1193 1.466,1194 2.069,1196 4.026,1197 1.429,1198 4.134,1199 4.172,1200 4.084,1201 4.044,1202 4.942,1203 4.049,1204 4.083,1205 4.118,1206 4.039,1207 4.002,1208 4.906,1209 4.006,1210 3.66,1211 3.722,1212 3.523,1213 3.536,1214 4.372,1215 3.524,1216 3.5,1217 3.556,1218 3.397,1219 3.385,1220 4.353,1221 3.381,1222 3.412,1223 3.466,1224 3.283,1225 3.318,1226 4.082,1227 3.303,1228 3.205,1229 3.273,1230 3.074,1231 3.056,1232 3.926,1233 3.053,1234 3.009,1235 3.076,1236 2.885,1237 2.868,1238 3.739,1239 2.864,1240 2.819,1241 2.9,1242 2.617,1243 2.678,1244 3.467,1245 2.653,1246 0.166,1247 0.114,1248 0.241,1249 0.148,1250 0.112,1251 4.494,1252 0.164,1253 3.074,1255 6.506,1256 0.378,1257 3.997,1258 0.108,1259 3.034,1260 4.43,1262 10.196,1263 2.927,1264 2.077,1265 2.046,1266 2.172,1267 2.19,1268 1.383,1269 2.187,1270 2.063,1271 2.034,1272 2.149,1273 2.167,1274 1.289,1275 2.163,1276 1.674,1277 1.613,1278 1.91,1279 1.828,1280 1.161,1281 1.859,1282 1.496,1283 1.446,1284 1.685,1285 1.648,1286 0.822,1287 1.664,1288 1.431,1289 1.382,1290 1.633,1291 1.563,1292 0.675,1293 1.591,1294 1.206,1295 1.138,1296 1.473,1297 1.392,1298 0.618,1299 1.423,1300 1.002,1301 0.94,1302 1.239,1303 1.189,1304 0.36,1305 1.211,1306 0.854,1307 0.779,1308 1.163,1309 1.049,1310 0.251,1311 1.093,1312 4.007,1314 5.293,1316 6.804,1318 8.42,1320 10.088,1328 4.475,1340 29.311,1341 55.869,1342 121.761,1343 161.064,1344 192.084,1345 200.084,1346 200.084,1347 24.291,1348 7.386,1349 7.76,1350 7.76,1351 24,1352 12.295,1353 4.524,1354 3.585,1355 34.118,1356 96,1357 66,1358 0.174,1359 179.47,1360 294.36,1361 429.668,1362 18576,1364 16.192,1365 0.675,1366 0.58,1367 16.192,1368 13.911,1369 11.916,1370 0.441,1371 0.328,1372 8.79,1373 11.716,1374 8.621,1375 7.181,1376 11.916,1377 8.85,1378 10.083,1379 0.28,1380 0.18,1381 10.083,1382 6.484,1383 8.846,1384 0.181,1385 0.1,1386 8.846,1387 4.902,1388 7.673,1389 0.12,1390 0.057,1391 7.673,1392 3.652,1393 6.38,1394 0.081,1395 0.033,1396 6.38,1397 2.621,1398 0.28,1399 72.645,1400 0.229,1401 23.773,1402 0.459,1403 126,1404 242.666,1405 130.829,1406 249.876,1407 362.36,1408 238,1409 148,1410 283.07,1411 153.995,1412 291.603,1413 425.18,1414 278,1415 4.42}
{0 CHEMBL1761993,1 1.205,2 11.32,3 5.154,4 26.568,5 103.493,6 6.704,7 0.786,8 3.962,9 4.09,10 3.466,11 3.58,12 4.936,13 3.523,14 4.498,15 4.679,16 3.772,17 3.973,18 5.38,19 3.885,20 4.796,21 5.04,22 3.822,23 4.119,24 5.573,25 3.992,26 4.814,27 5.067,28 3.664,29 4.094,30 5.557,31 3.932,32 4.808,33 5.08,34 3.461,35 4.024,36 5.49,37 3.822,38 4.728,39 5.026,40 3.254,41 3.87,42 5.344,43 3.645,44 4.555,45 4.846,46 3.182,47 3.718,48 5.187,49 3.509,50 4.439,51 4.727,52 3.168,53 3.598,54 5.111,55 3.415,56 0.054,57 0.661,58 10.934,59 4.641,60 8.874,61 6.564,62 0.126,63 1.128,64 19.462,65 7.665,66 14.597,67 11.015,68 0.175,69 1.466,70 27.049,71 10.657,72 20.57,73 15.415,74 0.176,75 1.47,76 27.61,77 11.092,78 21.299,79 15.995,80 0.152,81 1.415,82 27.548,83 11.598,84 21.121,85 16.641,86 0.164,87 1.286,88 25.727,89 10.89,90 19.056,91 15.634,92 0.105,93 1.078,94 21.473,95 9.176,96 15.472,97 13.181,98 0.112,99 0.984,100 19.203,101 7.723,102 14.874,103 11.204,105 37,106 0.202,107 0.447,108 0.596,109 0.721,110 0.748,111 0.748,112 3.266,113 1.002,114 -5.54,115 -5.41,116 -5.05,121 46.9,123 3,127 2,144 12,145 2,147 2,148 2,176 14,187 13,189 8,200 10,203 8,214 12,216 4,227 14,239 14,242 1,251 8,264 2,266 6,279 6,281 836,282 17.673,283 17.673,284 17.673,285 17.673,286 17.673,287 15.1,288 9.487,289 10.881,290 17.886,291 13.88,292 13.88,293 13.88,294 13.88,295 13.88,296 10.12,297 5,298 5.156,299 14.243,300 4.41,301 2.945,302 2.052,303 1.306,304 1.143,305 1.143,306 3.976,311 1,312 1,313 632,314 2.828,318 254.456,322 216.973,325 1.562,326 6.086,329 0.75,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.86,337 51,338 283,339 4.493,340 3.071,341 6.506,342 3.995,343 3.031,344 4.43,346 10.195,347 2.925,348 4.492,349 3.067,350 6.505,351 3.992,352 3.028,353 4.43,355 10.194,356 2.923,357 3.521,358 2.243,359 5.205,360 3.125,361 2.163,362 2.911,364 6.26,365 2.075,366 3.508,367 2.201,368 5.201,369 3.072,370 2.117,371 2.905,373 6.243,374 2.014,375 3.118,376 1.618,377 4.187,378 2.614,379 1.618,380 2.427,382 3.858,383 1.612,384 3.118,385 1.618,386 4.17,387 2.614,388 1.618,389 2.427,391 3.809,392 1.612,393 2.786,394 1.618,395 3.738,396 2.608,397 1.618,398 1.911,400 3.358,401 1.599,402 2.771,403 1.288,404 3.6,405 2.272,406 1.281,407 1.905,409 2.862,410 1.268,411 2.706,412 1.27,413 3.576,414 2.258,415 1.268,416 1.731,418 2.807,419 1.255,420 2.43,421 1.127,422 3.402,423 2.08,424 1.09,425 1.406,427 2.417,428 1.077,429 2.299,430 0.928,431 3.27,432 1.873,433 0.886,434 1.224,436 2.031,437 0.873,438 1.863,439 0.618,440 3,441 1.603,442 0.618,443 0.756,445 1.374,446 0.608,447 1.305,448 0.122,449 2.576,450 1.021,451 0.047,452 0.056,454 0.108,455 0.045,456 1.039,457 -0.267,458 2.346,459 0.649,460 -0.335,461 -0.433,463 -0.797,464 -0.329,465 0.882,466 -0.618,467 2.279,468 0.372,469 -0.618,470 -0.812,472 -1.435,473 -0.6,474 12.3,475 0.492,476 0.342,477 0.014,478 33.5,479 1.34,480 18,481 0.72,482 15.5,483 0.62,484 18.627,485 0.745,486 25.5,487 0.52,488 21.024,489 0.841,490 6.504,491 0.26,492 5.911,493 0.236,496 0.228,501 0.996,502 1.245,503 0.882,504 1.028,505 0.835,506 0.963,507 1.55,508 1.179,509 1.066,510 1.04,511 0.958,512 1.029,513 1.355,514 1.006,515 0.97,516 0.924,517 0.832,518 0.926,519 1.369,520 1.018,521 1.136,522 1.045,523 1.075,524 1.071,525 0.977,526 1.03,527 1.132,528 1.111,529 1.17,530 1.126,531 0.717,532 0.892,533 1.013,534 1.005,535 1.034,536 1.021,537 0.599,538 1.047,539 0.95,540 1.05,541 0.931,542 1.025,543 0.963,544 1.071,545 0.926,546 0.986,547 0.917,548 0.96,549 2.5,550 0.091,551 2.444,552 1.25,553 0.871,554 0.306,555 0.16,556 0.111,557 0.106,558 0.12,559 8704,560 16570,561 2.204,562 49,563 2,564 16,566 2,569 4,572 1.672,573 2.174,574 3.435,575 -0.909,582 59.04,583 1.205,584 2.67,585 3.563,586 4.309,587 4.472,588 4.472,589 2.763,590 3.524,591 4.625,592 3.616,593 1084.72,594 7.948,595 14052.2,600 275.121,601 0.795,602 4.619,603 0.089,604 0.004,605 0.066,606 0.033,607 0.028,608 0.013,609 0.008,610 0.006,611 0.006,612 0.006,613 0.26,614 0.5,615 0.88,617 123.468,618 0.134,619 -0.154,620 0.078,621 -0.036,622 0.135,623 0.008,624 -0.102,625 -0.087,626 -0.082,627 -0.081,628 -0.018,629 -0.08,630 -0.049,631 0.023,632 0.024,633 0.036,634 0.094,635 0.034,636 -0.194,637 -0.011,638 -0.15,639 -0.08,640 -0.132,641 -0.106,642 -0.126,643 -0.079,644 -0.159,645 -0.128,646 -0.232,647 -0.142,648 0.072,649 0.034,650 -0.034,651 -0.02,652 -0.126,653 -0.031,654 0.112,655 -0.129,656 0.024,657 -0.06,658 -0.035,659 -0.029,660 0.11,661 -0.109,662 0.068,663 -0.019,664 0.034,665 0.014,666 0.415,667 0.375,668 0.8,669 19.507,670 0.978,671 1.114,672 4.309,673 18.571,674 0.681,675 3.367,676 3.638,677 3.932,678 4.19,679 4.394,680 4.304,681 4.344,682 4.369,683 4.419,684 4.248,685 6.9,686 0.629,687 328.49,688 3.367,689 4.875,690 5.72,691 6.578,692 7.437,693 8.3,694 9.163,695 10.028,696 10.891,697 11.757,698 4.1,708 2,714 4,715 14,721 2,722 22,741 49,743 22,744 2,745 28,747 52,748 23,749 18,750 4,751 8,756 4,757 6,770 3,772 18,773 5,793 24,796 2,802 2,803 2,808 0.5,822 2,829 4,833 2,859 2,868 25,876 5,901 11.5,902 8.667,903 5.611,904 3.278,907 4.458,908 1.6,909 1.031,910 4.916,911 11.886,912 3.689,913 4.317,914 4.984,915 5.61,916 6.184,917 6.354,918 6.687,919 6.983,920 7.283,921 6.712,922 1,923 38,924 9.238,926 3.834,927 0.026,929 7.347,931 18.495,933 15.403,936 1.847,937 46.167,938 0.001,940 1,941 282.506,942 153.059,943 3.798,948 153.059,949 282.506,950 3.798,952 11.815,953 113.715,954 27.34,955 27.529,957 258.964,959 282.506,960 156.857,964 235.422,965 47.084,968 34.198,969 118.861,970 3.798,972 282.506,973 3.798,974 153.059,977 282.506,978 21.249,979 135.608,982 282.506,983 3.798,984 153.059,986 0.561,987 0.337,988 0.196,989 0.106,990 18,991 6,992 0.115,993 6,994 2,995 1.2,996 3.953,997 200.009,998 0.2,999 20,1000 88.096,1005 16.075,1006 7.646,1007 3.656,1008 5.287,1010 30.292,1016 4.751,1018 439.364,1019 39,1031 47.923,1032 54.564,1034 0.215,1035 0.476,1036 0.635,1037 0.767,1038 0.796,1039 0.796,1040 4.871,1041 1.281,1042 5.652,1043 3.358,1044 4.317,1045 5.004,1047 6.425,1048 4.264,1049 6.062,1050 1.268,1051 7.174,1052 2.862,1053 3.611,1054 4.691,1056 7.273,1057 3.483,1058 7.355,1059 1.09,1060 8.808,1061 2.807,1062 5.849,1063 7.298,1065 10.413,1066 5.727,1067 8.696,1068 0.886,1069 10.514,1070 2.417,1071 6.089,1072 7.942,1074 12.183,1075 5.887,1076 10.076,1077 0.618,1078 12.27,1079 2.031,1080 7.693,1081 9.925,1083 14.793,1084 7.495,1085 11.487,1086 0.047,1087 14.059,1088 1.374,1089 8.401,1090 11.026,1092 16.902,1093 8.135,1094 12.92,1095 -0.335,1096 15.871,1097 0.108,1098 9.723,1099 12.735,1101 19.334,1102 9.448,1103 3.031,1104 -0.618,1105 17.699,1106 -0.797,1107 10.653,1108 14.049,1110 21.572,1111 10.323,1112 3.028,1113 10.195,1114 19.537,1115 -1.435,1116 11.852,1117 15.636,1119 23.938,1120 11.502,1121 2.163,1122 10.194,1123 21.384,1124 4.43,1125 12.883,1126 17.046,1128 26.226,1129 12.486,1130 2.117,1131 6.26,1132 23.237,1133 4.43,1134 14.029,1135 18.58,1137 28.566,1138 13.606,1139 1.618,1140 6.243,1141 25.095,1142 2.911,1143 15.104,1144 20.033,1146 30.874,1147 14.639,1148 1.618,1149 3.858,1150 26.955,1151 2.905,1152 16.228,1153 21.541,1155 33.203,1156 15.733,1157 1.618,1158 3.809,1159 28.819,1160 2.427,1161 17.322,1162 23.014,1164 35.519,1165 16.787,1166 8000,1167 11116,1168 19.761,1169 33.387,1170 40.781,1171 40.834,1172 41.293,1173 40.811,1174 40.767,1175 57.035,1177 111.033,1178 39.774,1179 5.411,1180 5.071,1181 6.274,1182 5.033,1183 5.031,1184 7.43,1186 16.971,1187 4.925,1189 1.456,1190 1.458,1191 1.475,1192 1.458,1193 1.456,1194 2.037,1196 3.965,1197 1.42,1198 4.132,1199 4.17,1200 4.081,1201 4.043,1202 4.941,1203 4.048,1204 4.087,1205 4.122,1206 4.042,1207 4.004,1208 4.907,1209 4.009,1210 3.695,1211 3.756,1212 3.549,1213 3.575,1214 4.37,1215 3.56,1216 3.52,1217 3.578,1218 3.413,1219 3.399,1220 4.357,1221 3.395,1222 3.438,1223 3.492,1224 3.317,1225 3.34,1226 4.11,1227 3.328,1228 3.275,1229 3.341,1230 3.13,1231 3.142,1232 3.953,1233 3.131,1234 3.068,1235 3.137,1236 2.947,1237 2.916,1238 3.798,1239 2.916,1240 2.902,1241 2.976,1242 2.727,1243 2.769,1244 3.544,1245 2.75,1246 0.16,1247 0.11,1248 0.232,1249 0.143,1250 0.108,1251 4.493,1252 0.158,1253 3.071,1255 6.506,1256 0.364,1257 3.995,1258 0.104,1259 3.031,1260 4.43,1262 10.195,1263 2.925,1264 2.075,1265 2.044,1266 2.17,1267 2.186,1268 1.397,1269 2.184,1270 2.066,1271 2.037,1272 2.153,1273 2.172,1274 1.301,1275 2.168,1276 1.713,1277 1.653,1278 1.952,1279 1.864,1280 1.202,1281 1.898,1282 1.515,1283 1.462,1284 1.718,1285 1.675,1286 0.933,1287 1.694,1288 1.45,1289 1.402,1290 1.646,1291 1.586,1292 0.696,1293 1.61,1294 1.294,1295 1.228,1296 1.559,1297 1.46,1298 0.65,1299 1.497,1300 1.055,1301 0.991,1302 1.304,1303 1.253,1304 0.484,1305 1.276,1306 0.923,1307 0.856,1308 1.195,1309 1.109,1310 0.29,1311 1.143,1312 4.043,1314 5.323,1316 6.825,1318 8.435,1320 10.098,1328 5.837,1340 30.838,1341 59.04,1342 130.824,1343 174.591,1344 211.121,1345 219.121,1346 219.121,1347 26.434,1348 7.428,1349 7.76,1350 7.76,1351 24,1352 12.303,1353 4.524,1354 3.585,1355 36.284,1356 108,1357 73,1358 0.163,1359 189.063,1360 311.66,1361 453.073,1362 20244,1364 16.899,1365 0.676,1366 0.585,1367 16.899,1368 14.618,1369 12.416,1370 0.443,1371 0.334,1372 9.29,1373 12.216,1374 9.111,1375 7.598,1376 12.416,1377 9.35,1378 10.437,1379 0.282,1380 0.185,1381 10.437,1382 6.837,1383 9.096,1384 0.182,1385 0.103,1386 9.096,1387 5.152,1388 7.85,1389 0.121,1390 0.059,1391 7.85,1392 3.829,1393 6.501,1394 0.081,1395 0.034,1396 6.501,1397 2.735,1398 0.265,1399 75.645,1400 0.225,1401 24.835,1402 0.42,1403 130,1404 246.666,1405 134.829,1406 254.038,1407 368.12,1408 242,1409 152,1410 287.07,1411 157.995,1412 295.764,1413 430.94,1414 282,1415 5.398}
{0 CHEMBL1761994,1 1.187,2 12.963,3 6.067,4 36.806,5 112.695,6 6.483,7 0.733,8 4.066,9 4.198,10 3.537,11 3.674,12 5.009,13 3.609,14 4.616,15 4.806,16 3.832,17 4.069,18 5.462,19 3.969,20 4.925,21 5.181,22 3.88,23 4.215,24 5.662,25 4.075,26 4.941,27 5.204,28 3.732,29 4.192,30 5.647,31 4.02,32 4.936,33 5.216,34 3.543,35 4.129,36 5.587,37 3.919,38 4.865,39 5.168,40 3.353,41 3.989,42 5.454,43 3.759,44 4.719,45 5.02,46 3.279,47 3.862,48 5.315,49 3.646,50 4.607,51 4.897,52 3.226,53 3.785,54 5.233,55 3.577,56 0.063,57 0.743,58 12.686,59 5.362,60 9.762,61 7.653,62 0.14,63 1.266,64 22.526,65 8.921,66 16.093,67 12.943,68 0.193,69 1.643,70 31.012,71 12.288,72 22.596,73 17.905,74 0.192,75 1.643,76 31.476,77 12.716,78 23.08,79 18.451,80 0.167,81 1.585,82 31.202,83 13.17,84 22.463,85 18.965,86 0.153,87 1.446,88 29.136,89 12.322,90 19.844,91 17.77,92 0.136,93 1.255,94 25.162,95 10.562,96 16.779,97 15.251,98 0.148,99 1.135,100 22.478,101 9.477,102 15.563,103 13.625,105 39,106 0.194,107 0.437,108 0.58,109 0.71,110 0.75,111 0.75,112 3.339,113 1.035,114 -5.96,115 -5.81,116 -5.41,121 45.5,123 5,127 2,144 12,145 2,147 2,148 2,176 16,187 15,189 8,200 12,203 8,214 13,216 4,227 14,229 2,239 14,241 2,251 14,264 14,267 1,277 8,281 1078,282 19.087,283 19.087,284 19.087,285 19.087,286 19.087,287 16.514,288 9.487,289 11.881,290 19.3,291 14.88,292 14.88,293 14.88,294 14.88,295 14.88,296 11.12,297 5,298 5.656,299 15.243,300 4.595,301 3.113,302 2.236,303 1.446,304 1.2,305 1.2,306 4.048,312 1,313 778,314 3.162,318 295.88,322 251.886,325 1.827,326 6.386,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 55,338 350,339 4.493,340 3.069,341 6.505,342 3.994,343 3.03,344 4.43,346 10.194,347 2.924,348 4.493,349 3.068,350 6.505,351 3.993,352 3.03,353 4.43,355 10.194,356 2.924,357 3.516,358 2.232,359 5.203,360 3.116,361 2.154,362 2.909,364 6.252,365 2.069,366 3.513,367 2.216,368 5.203,369 3.09,370 2.133,371 2.908,373 6.25,374 2.034,375 3.118,376 1.776,377 4.183,378 2.764,379 1.774,380 2.427,382 3.87,383 1.754,384 3.118,385 1.618,386 4.176,387 2.614,388 1.618,389 2.427,391 3.821,392 1.612,393 2.84,394 1.618,395 3.833,396 2.614,397 1.618,398 1.914,400 3.59,401 1.612,402 2.773,403 1.377,404 3.614,405 2.359,406 1.367,407 1.906,409 2.955,410 1.356,411 2.762,412 1.278,413 3.589,414 2.265,415 1.274,416 1.832,418 2.835,419 1.261,420 2.516,421 1.253,422 3.495,423 2.244,424 1.253,425 1.519,427 2.715,428 1.241,429 2.373,430 1.045,431 3.339,432 1.989,433 1,434 1.326,436 2.248,437 0.988,438 2.185,439 0.869,440 3.192,441 1.827,442 0.84,443 1.107,445 1.899,446 0.828,447 1.714,448 0.534,449 2.882,450 1.517,451 0.531,452 0.615,454 1.159,455 0.522,456 1.273,457 0.107,458 2.51,459 1.018,460 0.04,461 0.046,463 0.091,464 0.039,465 1.036,466 -0.24,467 2.338,468 0.676,469 -0.308,470 -0.385,472 -0.721,473 -0.302,474 13.3,475 0.493,476 0.342,477 0.013,478 34.5,479 1.278,480 18,481 0.667,482 16.5,483 0.611,484 22.045,485 0.816,486 28.1,487 0.511,488 21.452,489 0.795,490 6.504,491 0.241,492 6.911,493 0.256,496 0.211,501 1.007,502 1.262,503 0.926,504 1.064,505 0.83,506 1.004,507 1.521,508 1.202,509 1.095,510 1.079,511 0.937,512 1.067,513 1.306,514 0.997,515 0.958,516 0.923,517 0.799,518 0.923,519 1.322,520 1.008,521 1.104,522 1.029,523 1.023,524 1.05,525 0.957,526 1.019,527 1.101,528 1.087,529 1.111,530 1.099,531 0.798,532 0.948,533 0.996,534 1.004,535 0.989,536 1.009,537 0.846,538 0.913,539 0.963,540 0.958,541 0.954,542 0.965,543 0.806,544 0.887,545 1.008,546 0.985,547 1.036,548 1.003,549 2.5,550 0.066,551 2.444,552 1.25,553 0.871,554 0.306,555 0.201,556 0.142,557 0.082,558 0.063,559 11462,560 21136,561 2.189,562 50.9,563 6,564 16,566 2,569 4,572 1.69,573 2.16,574 3.606,575 -0.916,582 65.272,583 1.187,584 2.668,585 3.545,586 4.336,587 4.581,588 4.581,589 2.939,590 3.644,591 4.737,592 3.82,593 1340.72,594 8.155,595 19146.8,600 317.975,601 0.764,602 4.731,603 0.083,604 0.004,605 0.063,606 0.031,607 0.026,608 0.012,609 0.01,610 0.007,611 0.004,612 0.003,613 0.244,614 0.5,615 0.88,617 138.934,618 0.14,619 -0.142,620 0.075,621 -0.032,622 0.173,623 0.009,624 -0.085,625 -0.102,626 -0.085,627 -0.093,628 0.022,629 -0.09,630 -0.021,631 0.027,632 0.042,633 0.045,634 0.131,635 0.046,636 -0.161,637 -0.004,638 -0.115,639 -0.058,640 -0.081,641 -0.079,642 -0.108,643 -0.066,644 -0.13,645 -0.105,646 -0.184,647 -0.116,648 -0.019,649 -0.024,650 -0.028,651 -0.027,652 -0.107,653 -0.028,654 -0.013,655 0.02,656 0.009,657 0.017,658 -0.076,659 0.015,660 0.071,661 0.061,662 -0.034,663 -0.008,664 -0.13,665 -0.023,666 0.389,667 0.39,668 0.741,669 24.225,670 0.976,671 1.116,672 4.728,673 22.356,674 0.671,675 3.434,676 3.689,677 3.97,678 4.22,679 4.419,680 4.331,681 4.369,682 4.382,683 4.394,684 4.143,685 7.904,686 0.616,687 356.55,688 3.434,689 4.934,690 5.771,691 6.621,692 7.474,693 8.332,694 9.189,695 10.05,696 10.91,697 11.773,698 3.6,708 2,714 4,715 14,721 2,722 22,741 55,743 22,744 2,745 30,747 58,748 25,749 18,750 4,751 8,756 4,757 6,770 5,772 18,773 7,793 28,796 2,802 2,803 2,808 0.5,822 2,829 4,833 2,859 2,868 27,876 7,901 12.5,902 9.667,903 6.111,904 3.778,907 4.388,908 1.584,909 1.017,910 5.982,911 11.896,912 3.738,913 4.344,914 4.997,915 5.618,916 6.188,917 6.358,918 6.689,919 6.981,920 7.268,921 6.613,922 1,923 40,924 9.994,926 4.119,927 0.026,929 7.321,931 20.128,933 16.736,936 1.821,937 49.167,941 329.591,942 158.128,943 3.798,948 158.128,949 329.591,950 3.798,952 16.884,953 113.715,954 27.34,955 27.529,957 306.049,959 329.591,960 161.926,964 282.506,965 47.084,968 39.267,969 118.861,970 3.798,972 329.591,973 3.798,974 158.128,977 329.591,978 26.318,979 135.608,982 329.591,983 3.798,984 158.128,986 0.557,987 0.331,988 0.191,989 0.103,990 18,991 6,992 0.138,993 8,994 2,995 1.2,996 4.204,997 215.725,998 0.2,999 20,1000 98.382,1005 17.971,1006 8.988,1007 4.469,1008 5.332,1010 30.413,1016 4.78,1018 491.517,1019 41,1031 53.69,1032 61.394,1034 0.205,1035 0.461,1036 0.613,1037 0.75,1038 0.792,1039 0.792,1040 4.916,1041 1.367,1042 5.694,1043 3.59,1044 4.369,1045 5.03,1047 6.45,1048 4.319,1049 6.094,1050 1.274,1051 7.204,1052 2.955,1053 3.611,1054 4.691,1056 7.273,1057 3.483,1058 7.379,1059 1.253,1060 8.828,1061 2.835,1062 5.883,1063 7.306,1065 10.418,1066 5.766,1067 8.713,1068 1,1069 10.528,1070 2.715,1071 6.089,1072 7.942,1074 12.183,1075 5.887,1076 10.088,1077 0.84,1078 12.279,1079 2.248,1080 7.711,1081 9.927,1083 14.794,1084 7.517,1085 11.495,1086 0.531,1087 14.065,1088 1.899,1089 8.401,1090 11.026,1092 16.902,1093 8.135,1094 12.926,1095 0.04,1096 15.874,1097 1.159,1098 9.731,1099 12.735,1101 19.334,1102 9.459,1103 3.03,1104 -0.308,1105 17.701,1106 0.091,1107 10.653,1108 14.049,1110 21.572,1111 10.323,1112 3.03,1113 10.194,1114 19.539,1115 -0.721,1116 11.856,1117 15.636,1119 23.938,1120 11.508,1121 2.154,1122 10.194,1123 21.385,1124 4.43,1125 12.883,1126 17.046,1128 26.226,1129 12.486,1130 2.133,1131 6.252,1132 23.238,1133 4.43,1134 14.031,1135 18.58,1137 28.566,1138 13.608,1139 1.774,1140 6.25,1141 25.095,1142 2.909,1143 15.104,1144 20.033,1146 30.874,1147 14.639,1148 1.618,1149 3.87,1150 26.955,1151 2.908,1152 16.229,1153 21.541,1155 33.203,1156 15.734,1157 1.618,1158 3.821,1159 28.819,1160 2.427,1161 17.322,1162 23.014,1164 35.519,1165 16.787,1166 10538,1167 14398,1168 21.148,1169 36.91,1170 43.293,1171 43.375,1172 43.841,1173 43.371,1174 43.321,1175 59.591,1177 116.146,1178 42.328,1179 5.435,1180 5.069,1181 6.368,1182 5.032,1183 5.03,1184 7.43,1186 16.97,1187 4.924,1189 1.443,1190 1.446,1191 1.461,1192 1.446,1193 1.444,1194 1.986,1196 3.872,1197 1.411,1198 4.13,1199 4.168,1200 4.08,1201 4.042,1202 4.94,1203 4.046,1204 4.091,1205 4.126,1206 4.045,1207 4.006,1208 4.908,1209 4.011,1210 3.745,1211 3.807,1212 3.589,1213 3.631,1214 4.367,1215 3.612,1216 3.57,1217 3.632,1218 3.447,1219 3.439,1220 4.361,1221 3.432,1222 3.475,1223 3.53,1224 3.361,1225 3.366,1226 4.154,1227 3.358,1228 3.377,1229 3.436,1230 3.228,1231 3.273,1232 4.001,1233 3.254,1234 3.189,1235 3.262,1236 3.048,1237 3.036,1238 3.877,1239 3.03,1240 3.021,1241 3.092,1242 2.882,1243 2.874,1244 3.69,1245 2.869,1246 0.15,1247 0.102,1248 0.217,1249 0.133,1250 0.101,1251 4.493,1252 0.148,1253 3.069,1255 6.505,1256 0.34,1257 3.994,1258 0.097,1259 3.03,1260 4.43,1262 10.194,1263 2.924,1264 2.072,1265 2.042,1266 2.167,1267 2.182,1268 1.418,1269 2.18,1270 2.069,1271 2.039,1272 2.158,1273 2.177,1274 1.324,1275 2.174,1276 1.766,1277 1.706,1278 2.006,1279 1.914,1280 1.249,1281 1.949,1282 1.573,1283 1.513,1284 1.812,1285 1.74,1286 1.09,1287 1.768,1288 1.477,1289 1.428,1290 1.672,1291 1.624,1292 0.822,1293 1.645,1294 1.404,1295 1.349,1296 1.627,1297 1.545,1298 0.682,1299 1.577,1300 1.195,1301 1.123,1302 1.483,1303 1.389,1304 0.636,1305 1.424,1306 1.017,1307 0.952,1308 1.275,1309 1.215,1310 0.456,1311 1.24,1312 4.111,1314 5.38,1316 6.868,1318 8.465,1320 10.119,1328 8.641,1340 33.891,1341 65.272,1342 146.74,1343 194.981,1344 238.465,1345 251.975,1346 251.975,1347 30.972,1348 7.508,1349 7.76,1350 7.76,1351 24,1352 12.322,1353 4.524,1354 3.585,1355 40.757,1356 134,1357 88,1358 0.145,1359 208.247,1360 346.26,1361 499.884,1362 23788,1364 18.313,1365 0.678,1366 0.594,1367 18.313,1368 16.033,1369 13.416,1370 0.447,1371 0.345,1372 10.29,1373 13.216,1374 10.092,1375 8.431,1376 13.416,1377 10.35,1378 11.144,1379 0.286,1380 0.193,1381 11.144,1382 7.544,1383 9.596,1384 0.185,1385 0.109,1386 9.596,1387 5.652,1388 8.204,1389 0.122,1390 0.062,1391 8.204,1392 4.182,1393 6.751,1394 0.082,1395 0.036,1396 6.751,1397 2.985,1398 0.241,1399 81.645,1400 0.217,1401 26.899,1402 0.363,1403 138,1404 254.666,1405 142.829,1406 262.361,1407 379.64,1408 250,1409 160,1410 295.07,1411 165.995,1412 304.088,1413 442.46,1414 290,1415 7.046}
{0 CHEMBL1761995,1 1.178,2 13.786,3 6.523,4 42.55,5 117.296,6 6.389,7 0.71,8 4.114,9 4.248,10 3.57,11 3.718,12 5.043,13 3.649,14 4.671,15 4.864,16 3.861,17 4.113,18 5.501,19 4.008,20 4.984,21 5.244,22 3.907,23 4.26,24 5.704,25 4.113,26 4.998,27 5.266,28 3.764,29 4.238,30 5.689,31 4.061,32 4.994,33 5.277,34 3.582,35 4.178,36 5.632,37 3.965,38 4.927,39 5.233,40 3.4,41 4.045,42 5.505,43 3.812,44 4.79,45 5.094,46 3.329,47 3.925,48 5.373,49 3.705,50 4.687,51 4.98,52 3.278,53 3.85,54 5.295,55 3.639,56 0.067,57 0.784,58 13.546,59 5.72,60 10.183,61 8.19,62 0.147,63 1.335,64 24.014,65 9.539,66 16.794,67 13.882,68 0.202,69 1.73,70 32.916,71 13.082,72 23.515,73 19.106,74 0.2,75 1.728,76 33.334,77 13.506,78 23.885,79 19.635,80 0.175,81 1.668,82 32.97,83 13.938,84 23.081,85 20.092,86 0.16,87 1.527,88 30.815,89 13.061,90 20.34,91 18.845,92 0.143,93 1.337,94 26.877,95 11.315,96 17.337,97 16.347,98 0.13,99 1.216,100 24.215,101 10.168,102 15.932,103 14.69,105 40,106 0.191,107 0.43,108 0.569,109 0.698,110 0.743,111 0.743,112 3.373,113 1.05,114 -6.16,115 -6.01,116 -5.58,121 44.8,123 6,127 2,144 12,145 2,147 2,148 2,176 17,187 16,189 8,200 13,203 8,214 14,216 4,227 15,229 2,239 14,241 2,251 14,253 2,264 14,277 14,280 1,281 1212,282 19.794,283 19.794,284 19.794,285 19.794,286 19.794,287 17.221,288 9.487,289 12.381,290 20.007,291 15.38,292 15.38,293 15.38,294 15.38,295 15.38,296 11.62,297 5,298 5.906,299 15.743,300 4.68,301 3.204,302 2.346,303 1.552,304 1.276,305 1.276,306 4.083,312 1,313 856,314 3.317,318 316.71,322 269.419,325 1.99,326 6.497,329 0.75,330 0.83,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.82,337 57,338 386,339 4.493,340 3.069,341 6.505,342 3.994,343 3.03,344 4.43,346 10.194,347 2.924,348 4.493,349 3.069,350 6.505,351 3.994,352 3.03,353 4.43,355 10.194,356 2.924,357 3.515,358 2.23,359 5.203,360 3.113,361 2.151,362 2.908,364 6.252,365 2.066,366 3.514,367 2.22,368 5.203,369 3.095,370 2.137,371 2.908,373 6.251,374 2.04,375 3.118,376 1.824,377 4.182,378 2.812,379 1.821,380 2.427,382 3.877,383 1.802,384 3.118,385 1.618,386 4.177,387 2.614,388 1.618,389 2.427,391 3.825,392 1.612,393 2.87,394 1.618,395 3.865,396 2.614,397 1.618,398 1.917,400 3.658,401 1.612,402 2.774,403 1.467,404 3.631,405 2.457,406 1.464,407 1.907,409 3.072,410 1.453,411 2.766,412 1.283,413 3.593,414 2.268,415 1.278,416 1.861,418 2.846,419 1.265,420 2.571,421 1.266,422 3.539,423 2.256,424 1.265,425 1.581,427 2.781,428 1.252,429 2.4,430 1.11,431 3.37,432 2.067,433 1.076,434 1.367,436 2.365,437 1.066,438 2.265,439 0.935,440 3.247,441 1.883,442 0.895,443 1.195,445 2.028,446 0.883,447 1.898,448 0.691,449 3,450 1.677,451 0.689,452 0.82,454 1.508,455 0.68,456 1.435,457 0.293,458 2.654,459 1.245,460 0.262,461 0.296,463 0.576,464 0.257,465 1.136,466 -0.071,467 2.377,468 0.829,469 -0.151,470 -0.179,472 -0.348,473 -0.147,474 13.8,475 0.493,476 0.342,477 0.012,478 35,479 1.25,480 18,481 0.643,482 17,483 0.607,484 23.796,485 0.85,486 29.4,487 0.507,488 21.654,489 0.773,490 6.504,491 0.232,492 7.411,493 0.265,496 0.203,501 1.013,502 1.269,503 0.945,504 1.079,505 0.83,506 1.022,507 1.509,508 1.213,509 1.108,510 1.096,511 0.93,512 1.084,513 1.286,514 0.994,515 0.954,516 0.923,517 0.786,518 0.922,519 1.303,520 1.005,521 1.093,522 1.023,523 1.004,524 1.043,525 0.949,526 1.015,527 1.09,528 1.077,529 1.089,530 1.088,531 0.794,532 0.947,533 0.99,534 0.999,535 0.968,536 1.003,537 0.835,538 0.913,539 0.957,540 0.956,541 0.928,542 0.961,543 0.901,544 0.952,545 0.999,546 0.993,547 1.011,548 1,549 2.5,550 0.049,551 2.444,552 1.25,553 0.871,554 0.306,555 0.201,556 0.142,557 0.106,558 0.063,559 13019,560 23657,561 2.182,562 51.7,563 8,564 16,566 2,569 4,572 1.698,573 2.154,574 3.684,575 -0.919,582 68.345,583 1.178,584 2.654,585 3.512,586 4.306,587 4.582,588 4.582,589 2.985,590 3.664,591 4.789,592 3.912,593 1478.74,594 8.254,595 22102.9,600 339.763,601 0.75,602 4.784,603 0.081,604 0.003,605 0.061,606 0.03,607 0.026,608 0.011,609 0.009,610 0.007,611 0.005,612 0.003,613 0.236,614 0.5,615 0.88,617 146.744,618 0.142,619 -0.137,620 0.074,621 -0.03,622 0.187,623 0.01,624 -0.078,625 -0.109,626 -0.087,627 -0.098,628 0.036,629 -0.094,630 -0.011,631 0.028,632 0.047,633 0.047,634 0.144,635 0.05,636 -0.148,637 -0.001,638 -0.101,639 -0.05,640 -0.061,641 -0.069,642 -0.101,643 -0.061,644 -0.119,645 -0.096,646 -0.166,647 -0.106,648 -0.017,649 -0.022,650 -0.026,651 -0.025,652 -0.096,653 -0.026,654 -0.01,655 0.019,656 0.011,657 0.017,658 -0.063,659 0.015,660 -0.038,661 -0.007,662 -0.028,663 -0.017,664 -0.12,665 -0.021,666 0.382,667 0.395,668 0.714,669 26.714,670 0.975,671 1.117,672 4.933,673 24.33,674 0.667,675 3.466,676 3.714,677 3.989,678 4.234,679 4.431,680 4.344,681 4.382,682 4.394,683 4.407,684 4.143,685 8.401,686 0.611,687 370.58,688 3.466,689 4.963,690 5.796,691 6.642,692 7.492,693 8.347,694 9.202,695 10.061,696 10.919,697 11.78,698 3.4,708 2,714 4,715 14,721 2,722 22,741 58,743 22,744 2,745 31,747 61,748 26,749 18,750 4,751 8,756 4,757 6,770 6,772 18,773 8,793 30,796 2,802 2,803 2,808 0.5,822 2,829 4,833 2,859 2,868 28,876 8,901 13,902 10.167,903 6.361,904 4.028,907 4.354,908 1.577,909 1.011,910 6.543,911 11.901,912 3.761,913 4.357,914 5.004,915 5.621,916 6.19,917 6.36,918 6.691,919 6.982,920 7.269,921 6.609,922 0.889,923 41,924 10.372,926 4.262,927 0.026,929 7.31,931 20.944,933 17.403,936 1.81,937 50.667,941 353.133,942 160.663,943 3.798,948 160.663,949 353.133,950 3.798,952 19.419,953 113.715,954 27.34,955 27.529,957 329.591,959 353.133,960 164.461,964 306.049,965 47.084,968 41.802,969 118.861,970 3.798,972 353.133,973 3.798,974 160.663,977 353.133,978 28.853,979 135.608,982 353.133,983 3.798,984 160.663,986 0.555,987 0.328,988 0.189,989 0.102,990 18,991 6,992 0.148,993 9,994 2,995 1.2,996 4.327,997 223.72,998 0.2,999 20,1000 102.606,1005 18.925,1006 9.68,1007 4.909,1008 5.348,1010 30.458,1016 4.791,1018 517.594,1019 42,1031 56.574,1032 64.809,1034 0.201,1035 0.453,1036 0.6,1037 0.735,1038 0.782,1039 0.782,1040 4.938,1041 1.464,1042 5.714,1043 3.658,1044 4.394,1045 5.043,1047 6.463,1048 4.345,1049 6.11,1050 1.278,1051 7.219,1052 3.072,1053 3.611,1054 4.691,1056 7.273,1057 3.483,1058 7.391,1059 1.265,1060 8.839,1061 2.846,1062 5.9,1063 7.31,1065 10.421,1066 5.784,1067 8.721,1068 1.076,1069 10.535,1070 2.781,1071 6.089,1072 7.942,1074 12.183,1075 5.887,1076 10.094,1077 0.895,1078 12.283,1079 2.365,1080 7.72,1081 9.928,1083 14.794,1084 7.528,1085 11.499,1086 0.689,1087 14.067,1088 2.028,1089 8.401,1090 11.026,1092 16.902,1093 8.135,1094 12.928,1095 0.262,1096 15.876,1097 1.508,1098 9.736,1099 12.736,1101 19.334,1102 9.465,1103 3.03,1104 -0.151,1105 17.702,1106 0.576,1107 10.653,1108 14.049,1110 21.572,1111 10.323,1112 3.03,1113 10.194,1114 19.539,1115 -0.348,1116 11.858,1117 15.636,1119 23.938,1120 11.51,1121 2.151,1122 10.194,1123 21.385,1124 4.43,1125 12.883,1126 17.046,1128 26.226,1129 12.486,1130 2.137,1131 6.252,1132 23.238,1133 4.43,1134 14.031,1135 18.58,1137 28.566,1138 13.609,1139 1.821,1140 6.251,1141 25.095,1142 2.908,1143 15.104,1144 20.033,1146 30.874,1147 14.639,1148 1.618,1149 3.877,1150 26.956,1151 2.908,1152 16.229,1153 21.541,1155 33.203,1156 15.734,1157 1.618,1158 3.825,1159 28.819,1160 2.427,1161 17.322,1162 23.014,1164 35.519,1165 16.787,1166 11976,1167 16238,1168 21.841,1169 38.671,1170 44.524,1171 44.663,1172 45.092,1173 44.721,1174 44.666,1175 60.946,1177 118.853,1178 43.671,1179 5.443,1180 5.069,1181 6.395,1182 5.032,1183 5.03,1184 7.43,1186 16.969,1187 4.924,1189 1.436,1190 1.441,1191 1.455,1192 1.443,1193 1.441,1194 1.966,1196 3.834,1197 1.409,1198 4.13,1199 4.168,1200 4.08,1201 4.042,1202 4.94,1203 4.046,1204 4.091,1205 4.127,1206 4.045,1207 4.007,1208 4.908,1209 4.011,1210 3.763,1211 3.825,1212 3.605,1213 3.65,1214 4.366,1215 3.63,1216 3.597,1217 3.661,1218 3.464,1219 3.466,1220 4.362,1221 3.457,1222 3.49,1223 3.548,1224 3.378,1225 3.377,1226 4.172,1227 3.37,1228 3.409,1229 3.466,1230 3.266,1231 3.309,1232 4.023,1233 3.291,1234 3.248,1235 3.319,1236 3.095,1237 3.105,1238 3.905,1239 3.093,1240 3.073,1241 3.146,1242 2.937,1243 2.919,1244 3.747,1245 2.915,1246 0.145,1247 0.099,1248 0.21,1249 0.129,1250 0.098,1251 4.493,1252 0.143,1253 3.069,1255 6.505,1256 0.329,1257 3.994,1258 0.094,1259 3.03,1260 4.43,1262 10.194,1263 2.924,1264 2.071,1265 2.041,1266 2.166,1267 2.181,1268 1.427,1269 2.179,1270 2.07,1271 2.04,1272 2.159,1273 2.178,1274 1.335,1275 2.175,1276 1.783,1277 1.723,1278 2.023,1279 1.931,1280 1.265,1281 1.966,1282 1.608,1283 1.545,1284 1.855,1285 1.772,1286 1.139,1287 1.803,1288 1.491,1289 1.439,1290 1.693,1291 1.644,1292 0.907,1293 1.665,1294 1.431,1295 1.379,1296 1.64,1297 1.57,1298 0.706,1299 1.599,1300 1.267,1301 1.196,1302 1.551,1303 1.446,1304 0.657,1305 1.485,1306 1.068,1307 0.999,1308 1.345,1309 1.272,1310 0.555,1311 1.301,1312 4.143,1314 5.407,1316 6.889,1318 8.479,1320 10.129,1328 10.07,1340 35.418,1341 68.345,1342 153.931,1343 203.724,1344 249.763,1345 265.763,1346 265.763,1347 33.364,1348 7.547,1349 7.76,1350 7.76,1351 24,1352 12.331,1353 4.524,1354 3.585,1355 43.065,1356 148,1357 96,1358 0.138,1359 217.84,1360 363.56,1361 523.289,1362 25666,1364 19.02,1365 0.679,1366 0.598,1367 19.02,1368 16.74,1369 13.916,1370 0.449,1371 0.35,1372 10.79,1373 13.716,1374 10.582,1375 8.848,1376 13.916,1377 10.85,1378 11.497,1379 0.287,1380 0.197,1381 11.497,1382 7.898,1383 9.846,1384 0.186,1385 0.111,1386 9.846,1387 5.902,1388 8.38,1389 0.123,1390 0.064,1391 8.38,1392 4.359,1393 6.876,1394 0.083,1395 0.037,1396 6.876,1397 3.11,1398 0.231,1399 84.645,1400 0.214,1401 27.903,1402 0.341,1403 142,1404 258.666,1405 146.829,1406 266.523,1407 385.4,1408 254,1409 164,1410 299.07,1411 169.995,1412 308.249,1413 448.22,1414 294,1415 7.097}
{0 CHEMBL1761997,1 1.337,2 11.32,3 3.925,4 15.405,5 100.427,6 7.031,7 0.786,8 3.938,9 4.056,10 3.482,11 3.527,12 4.957,13 3.49,14 4.467,15 4.633,16 3.782,17 3.903,18 5.412,19 3.843,20 4.72,21 4.939,22 3.832,23 4.048,24 5.58,25 3.948,26 4.728,27 4.953,28 3.687,29 4.019,30 5.551,31 3.882,32 4.767,33 5.03,34 3.503,35 3.895,36 5.539,37 3.731,38 4.619,39 4.9,40 3.295,41 3.655,42 5.369,43 3.492,44 4.372,45 4.635,46 3.172,47 3.5,48 5.118,49 3.356,50 4.261,51 4.513,52 3.152,53 3.491,54 5.009,55 3.346,56 0.04,57 0.637,58 10.074,59 4.378,60 7.414,61 5.905,62 0.169,63 1.067,64 18.504,65 7.014,66 16.511,67 9.477,68 0.323,69 1.34,70 24.966,71 9.43,72 23.773,73 13.165,74 0.148,75 1.324,76 24.81,77 10.183,78 20.669,79 14.212,80 0.207,81 1.312,82 27.18,83 10.616,84 27,85 14.756,86 0.245,87 1.1,88 24.195,89 9.114,90 26.991,91 12.525,92 0.179,93 0.864,94 18.574,95 7.093,96 19.244,97 9.685,98 0.115,99 0.831,100 15.927,101 6.207,102 13.44,103 8.835,105 37,106 0.225,107 0.462,108 0.603,109 0.714,110 0.743,111 0.743,112 3.266,113 0.956,114 -4.49,115 -4.42,116 -4.16,121 46.8,127 4,144 12,145 2,147 2,148 2,176 12,187 12,189 6,194 2,200 10,203 6,214 6,216 2,219 6,227 2,232 6,242 1,244 2,266 6,279 6,281 836,282 17.673,283 17.673,284 17.673,285 17.673,286 17.673,287 15.1,288 10.263,289 10.881,290 18.045,291 13.88,292 13.88,293 13.88,294 13.88,295 13.88,296 10.12,297 8.084,298 5.156,299 14.465,300 4.217,301 2.815,302 1.979,303 1.319,304 1.149,305 1.149,306 3.976,310 1,311 1,312 1,313 632,314 2.828,318 254.456,322 216.973,325 1.562,326 9.003,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 52,338 283,339 4.493,340 3.077,341 6.506,342 3.994,343 3.031,344 4.43,345 0.86,346 10.195,347 2.924,348 4.492,349 3.068,350 6.505,351 3.992,352 3.028,353 4.43,355 10.194,356 2.923,357 3.521,358 2.436,359 5.205,360 3.11,361 2.163,362 2.911,364 6.26,365 2.04,366 3.508,367 2.209,368 5.201,369 3.07,370 2.117,371 2.905,373 6.243,374 2.011,375 3.118,376 2.036,377 4.187,378 2.614,379 1.618,380 2.427,382 3.858,383 1.612,384 3.118,385 1.618,386 4.17,387 2.614,388 1.618,389 2.427,391 3.809,392 1.612,393 2.786,394 1.618,395 3.738,396 2.509,397 1.618,398 1.911,400 3.358,401 1.434,402 2.771,403 1.302,404 3.6,405 2.271,406 1.281,407 1.905,409 2.862,410 1.267,411 2.706,412 1.275,413 3.576,414 2.256,415 1.268,416 1.731,418 2.807,419 1.25,420 2.43,421 1.192,422 3.402,423 2.069,424 1.09,425 1.406,427 2.417,428 1.064,429 2.299,430 0.982,431 3.27,432 1.855,433 0.886,434 1.224,436 2.031,437 0.855,438 1.863,439 0.746,440 3,441 1.582,442 0.618,443 0.756,445 1.374,446 0.592,447 1.305,448 0.218,449 2.576,450 0.984,451 0.047,452 0.056,454 0.108,455 0.043,456 1.039,457 -0.111,458 2.346,459 0.631,460 -0.335,461 -0.433,463 -0.797,464 -0.321,465 0.882,466 -0.571,467 2.279,468 0.357,469 -0.618,470 -0.812,472 -1.435,473 -0.6,474 12.133,475 0.485,476 0.342,477 0.014,478 34,479 1.36,480 18,481 0.72,482 16,483 0.64,484 17.245,485 0.69,486 25.667,487 0.546,488 22.407,489 0.896,490 7.003,491 0.28,492 5.413,493 0.217,496 0.231,501 0.907,502 1.29,503 0.822,504 1.061,505 0.858,506 0.954,507 1.706,508 1.117,509 1.084,510 0.957,511 1.322,512 0.963,513 1.221,514 0.923,515 1.027,516 0.877,517 1.049,518 0.923,519 0.915,520 1.173,521 1.13,522 1.21,523 0.924,524 1.188,525 1.259,526 1.036,527 1.082,528 1.105,529 1.163,530 1.084,531 1.563,532 0.853,533 0.991,534 0.947,535 1.262,536 0.932,537 1.688,538 0.943,539 0.996,540 0.904,541 1.401,542 0.909,543 0.942,544 1.153,545 1.035,546 1.046,547 0.968,548 1.048,549 2.5,550 0.091,551 2.444,552 1.25,553 0.871,554 0.306,555 0.16,556 0.111,557 0.106,558 0.12,559 8704,560 17938,561 2.204,562 46.8,564 20,566 2,572 1.672,573 2.174,574 3.435,575 -0.869,577 1,582 62.851,583 1.337,584 2.739,585 3.575,586 4.235,587 4.406,588 4.406,589 2.763,590 3.524,591 4.625,592 3.616,593 1084.72,594 7.948,595 14052.2,597 1,599 1,600 261.066,601 0.795,602 4.619,603 0.089,604 0.004,605 0.066,606 0.033,607 0.028,608 0.013,609 0.008,610 0.006,611 0.006,612 0.006,613 0.26,614 0.5,615 1,617 123.468,618 0.057,619 -0.201,620 0.083,621 -0.076,622 0.025,623 -0.01,624 -0.215,625 -0.025,626 -0.111,627 -0.011,628 -0.223,629 -0.047,630 0.045,631 0.121,632 -0.039,633 0.076,634 -0.039,635 0.02,636 -0.036,637 -0.184,638 -0.173,639 -0.231,640 -0.035,641 -0.214,642 -0.029,643 -0.097,644 -0.071,645 -0.132,646 -0.021,647 -0.106,648 0.021,649 0.061,650 0.061,651 0.021,652 0.078,653 0.042,654 -0.11,655 -0.026,656 0.043,657 0.072,658 -0.089,659 0.065,660 -0.053,661 -0.162,662 -0.054,663 -0.081,664 -0.109,665 -0.074,666 0.788,667 2.398,668 0.8,669 19.507,670 0.987,671 1.114,672 3.259,673 10.62,674 0.683,675 3.367,676 3.638,677 3.932,678 4.19,679 4.394,680 4.304,681 4.344,682 4.369,683 4.419,684 4.248,685 6.9,686 0.639,687 330.46,688 3.367,689 4.875,690 5.72,691 6.578,692 7.437,693 8.3,694 9.163,695 10.028,696 10.891,697 11.757,698 4.3,708 2,714 4,715 14,721 2,722 22,741 47,743 22,744 2,745 28,747 50,748 22,749 18,750 4,751 8,756 4,757 6,772 18,773 4,790 1,793 22,794 1,796 3,802 2,803 2,808 0.5,809 1,822 2,829 4,833 2,858 1,859 2,868 25,876 4,878 1,893 2.1,897 1,901 11.5,902 8.333,903 5.611,904 2.944,907 4.458,908 1.6,909 1.026,910 4.889,911 11.886,912 3.689,913 4.317,914 4.984,915 5.61,916 6.184,917 6.354,918 6.687,919 6.983,920 7.283,921 6.712,922 1,923 38,924 9.223,926 3.823,927 0.026,929 7.427,931 18.213,933 14.943,936 1.927,937 48.167,940 1,941 258.964,942 154.64,943 3.798,945 11,948 154.64,949 269.964,950 3.798,952 13.396,953 113.715,954 38.34,955 27.529,957 235.422,959 258.964,960 158.438,961 11,964 258.964,966 11,968 35.779,969 118.861,970 3.798,972 258.964,973 14.798,974 154.64,977 258.964,978 22.83,979 135.608,981 11,982 258.964,983 14.798,984 154.64,986 0.561,987 0.337,988 0.196,989 0.106,990 18,991 6,992 0.12,993 6,994 2,995 1.2,996 3.953,997 200.009,998 0.2,999 20,1000 88.096,1005 16.038,1006 7.621,1007 3.641,1008 5.015,1009 11,1010 29.603,1016 4.501,1018 428.403,1019 39,1031 46.367,1032 52.358,1034 0.241,1035 0.493,1036 0.644,1037 0.763,1038 0.793,1039 0.793,1040 4.871,1041 1.281,1042 5.652,1043 3.358,1044 4.317,1045 5.004,1046 0.908,1047 6.425,1048 4.243,1049 6.062,1050 1.268,1051 7.174,1052 2.862,1053 3.611,1054 4.691,1056 7.273,1057 3.483,1058 7.355,1059 1.09,1060 8.808,1061 2.807,1062 5.849,1063 7.298,1064 0.739,1065 10.413,1066 5.701,1067 8.696,1068 0.886,1069 10.514,1070 2.417,1071 6.089,1072 7.942,1074 12.183,1075 5.887,1076 10.076,1077 0.618,1078 12.27,1079 2.031,1080 7.693,1081 9.925,1082 0.593,1083 14.793,1084 7.474,1085 11.487,1086 0.047,1087 14.059,1088 1.374,1089 8.401,1090 11.026,1092 16.902,1093 8.134,1094 12.92,1095 -0.335,1096 15.871,1097 0.108,1098 9.723,1099 12.735,1100 0.469,1101 19.334,1102 9.435,1103 3.031,1104 -0.618,1105 17.699,1106 -0.797,1107 10.653,1108 14.049,1110 21.572,1111 10.321,1112 3.028,1113 10.195,1114 19.537,1115 -1.435,1116 11.852,1117 15.636,1118 0.366,1119 23.938,1120 11.494,1121 2.163,1122 10.194,1123 21.384,1124 4.43,1125 12.883,1126 17.046,1128 26.226,1129 12.483,1130 2.117,1131 6.26,1132 23.237,1133 4.43,1134 14.029,1135 18.58,1136 0.283,1137 28.566,1138 13.6,1139 1.618,1140 6.243,1141 25.095,1142 2.911,1143 15.104,1144 20.033,1146 30.874,1147 14.635,1148 1.618,1149 3.858,1150 26.955,1151 2.905,1152 16.228,1153 21.541,1154 0.217,1155 33.203,1156 15.728,1157 1.618,1158 3.809,1159 28.819,1160 2.427,1161 17.322,1162 23.014,1164 35.519,1165 16.784,1166 8000,1167 11564,1168 19.761,1169 32.08,1170 40.781,1171 41.213,1172 41.293,1173 40.772,1174 40.767,1175 57.035,1176 1.72,1177 111.033,1178 39.253,1179 5.411,1180 5.077,1181 6.274,1182 5.068,1183 5.031,1184 7.43,1185 1.72,1186 16.971,1187 4.924,1189 1.456,1190 1.472,1191 1.475,1192 1.456,1193 1.456,1194 2.037,1195 0.061,1196 3.965,1197 1.402,1198 4.128,1199 4.165,1200 4.08,1201 4.039,1202 4.947,1203 4.044,1204 4.087,1205 4.122,1206 4.042,1207 4.004,1208 4.907,1209 4.009,1210 3.624,1211 3.672,1212 3.503,1213 3.45,1214 4.563,1215 3.455,1216 3.52,1217 3.578,1218 3.413,1219 3.399,1220 4.357,1221 3.395,1222 3.408,1223 3.455,1224 3.287,1225 3.277,1226 4.33,1227 3.272,1228 3.275,1229 3.341,1230 3.13,1231 3.142,1232 3.953,1233 3.131,1234 3.023,1235 3.082,1236 2.912,1237 2.855,1238 3.88,1239 2.859,1240 2.902,1241 2.976,1242 2.727,1243 2.769,1244 3.544,1245 2.75,1246 0.16,1247 0.11,1248 0.232,1249 0.143,1250 0.108,1251 4.493,1252 0.158,1253 3.077,1254 0.031,1255 6.506,1256 0.364,1257 3.994,1258 0.104,1259 3.031,1260 4.43,1261 0.86,1262 10.195,1263 2.924,1264 2.07,1265 2.041,1266 2.16,1267 2.183,1268 1.315,1269 2.178,1270 2.066,1271 2.037,1272 2.153,1273 2.172,1274 1.301,1275 2.168,1276 1.586,1277 1.535,1278 1.809,1279 1.797,1280 1.026,1281 1.803,1282 1.515,1283 1.462,1284 1.718,1285 1.675,1286 0.933,1287 1.694,1288 1.404,1289 1.358,1290 1.619,1291 1.562,1292 0.663,1293 1.583,1294 1.294,1295 1.228,1296 1.559,1297 1.46,1298 0.65,1299 1.497,1300 0.992,1301 0.936,1302 1.229,1303 1.202,1304 0.325,1305 1.213,1306 0.923,1307 0.856,1308 1.195,1309 1.109,1310 0.29,1311 1.143,1312 4.043,1314 5.323,1316 6.825,1318 8.435,1320 10.098,1328 3.15,1330 5.898,1340 30.026,1341 62.851,1342 128.743,1343 168.046,1344 199.066,1345 207.066,1346 207.066,1347 26.416,1348 7.428,1349 16.99,1350 16.99,1351 24,1352 12.303,1353 4.524,1354 3.585,1355 36.284,1356 108,1357 73,1358 0.163,1359 183.467,1360 303.15,1361 439.419,1362 20244,1364 16.899,1365 0.676,1366 0.573,1367 16.899,1368 14.32,1369 12.416,1370 0.443,1371 0.319,1372 8.828,1373 12.071,1374 8.671,1375 7.178,1376 12.416,1377 8.927,1378 10.437,1379 0.282,1380 0.173,1381 10.437,1382 6.389,1383 9.096,1384 0.182,1385 0.096,1386 9.096,1387 4.791,1388 7.85,1389 0.121,1390 0.054,1391 7.85,1392 3.487,1393 6.501,1394 0.081,1395 0.03,1396 6.501,1397 2.417,1398 0.265,1399 76.645,1400 0.225,1401 24.835,1402 0.42,1403 130,1404 290.401,1405 137.708,1406 287.023,1407 407.48,1408 274,1409 152,1410 306.707,1411 160.763,1412 313.384,1413 457.34,1414 298,1415 4.456}
{0 CHEMBL1761998,1 1.22,2 10.5,3 4.524,4 20.463,5 99.702,6 7.101,7 0.815,8 3.867,9 3.987,10 3.424,11 3.507,12 4.907,13 3.46,14 4.365,15 4.529,16 3.733,17 3.885,18 5.329,19 3.815,20 4.629,21 4.845,22 3.782,23 4.027,24 5.5,25 3.92,26 4.658,27 4.892,28 3.614,29 3.994,30 5.488,31 3.849,32 4.635,33 4.9,34 3.39,35 3.889,36 5.413,37 3.705,38 4.475,39 4.758,40 3.167,41 3.665,42 5.197,43 3.469,44 4.274,45 4.55,46 3.137,47 3.484,48 5.009,49 3.329,50 4.175,51 4.427,52 3.206,53 3.463,54 4.976,55 3.343,56 0.043,57 0.576,58 9.065,59 3.924,60 8.147,61 5.43,62 0.108,63 0.977,64 15.872,65 6.287,66 14.046,67 8.779,68 0.137,69 1.248,70 21.87,71 8.863,72 18.75,73 12.506,74 0.144,75 1.267,76 22.928,77 9.422,78 20.131,79 13.318,80 0.159,81 1.219,82 23.124,83 9.754,84 22.742,85 13.848,86 0.096,87 1.016,88 20.017,89 8.625,90 19.089,91 12.31,92 0.096,93 0.858,94 16.291,95 6.583,96 14.402,97 9.416,98 0.098,99 0.793,100 14.422,101 5.619,102 12.748,103 8.009,105 36,106 0.207,107 0.437,108 0.592,109 0.712,110 0.743,111 0.743,112 3.228,113 0.944,114 -5.25,115 -5.14,116 -4.81,121 50,127 2,137 2,144 12,145 2,147 2,148 2,176 13,187 12,189 8,200 10,203 8,214 12,216 2,227 14,230 1,239 8,251 2,253 6,266 6,277 9,279 2,281 728,282 16.966,283 16.966,284 16.966,285 16.966,286 16.966,287 14.133,288 12.77,289 10.381,290 17.179,291 13.38,292 13.38,293 13.38,294 13.38,295 13.38,296 9.306,297 19.216,298 4.906,299 13.743,300 4.24,301 2.887,302 1.978,303 1.273,304 1.091,305 1.091,306 3.938,311 1,312 1,313 564,314 2.646,318 233.873,322 199.598,325 1.417,326 5.643,328 1,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 49,338 252,339 4.496,340 3.094,341 6.506,342 3.997,343 3.034,344 4.431,345 0.522,346 10.196,347 2.927,348 4.491,349 3.074,350 6.505,351 3.99,352 3.026,353 4.429,354 0.522,355 10.193,356 2.922,357 3.563,358 2.371,359 5.21,360 3.132,361 2.171,362 2.947,364 6.274,365 2.08,366 3.5,367 2.23,368 5.196,369 3.054,370 2.1,371 2.9,373 6.227,374 1.995,375 3.118,376 1.709,377 4.19,378 2.614,379 1.618,380 2.427,382 3.853,383 1.612,384 3.118,385 1.618,386 4.165,387 2.614,388 1.618,389 2.427,391 3.799,392 1.612,393 3.034,394 1.618,395 3.679,396 2.482,397 1.492,398 2.11,400 3.176,401 1.475,402 2.77,403 1.301,404 3.596,405 2.266,406 1.276,407 1.904,409 2.847,410 1.263,411 2.764,412 1.267,413 3.558,414 2.252,415 1.261,416 1.889,418 2.777,419 1.248,420 2.398,421 1.175,422 3.365,423 1.988,424 1,425 1.359,427 2.276,428 0.986,429 2.317,430 0.869,431 3.218,432 1.808,433 0.823,434 1.208,436 1.884,437 0.81,438 1.609,439 0.637,440 2.853,441 1.352,442 0.374,443 0.45,445 0.849,446 0.365,447 1.247,448 -0.089,449 2.424,450 0.787,451 -0.189,452 -0.26,454 -0.456,455 -0.184,456 0.907,457 -0.342,458 2.319,459 0.5,460 -0.49,461 -0.657,463 -1.157,464 -0.485,465 0.882,466 -0.618,467 2.186,468 0.357,469 -0.618,470 -0.927,472 -1.478,473 -0.6,474 11.8,475 0.492,476 0.342,477 0.014,478 34,479 1.417,480 19,481 0.792,482 15,483 0.625,484 15.533,485 0.647,486 23.6,487 0.536,488 22.229,489 0.926,490 7.016,491 0.292,492 4.899,493 0.204,496 0.237,501 0.985,502 1.2,503 0.817,504 0.966,505 0.899,506 0.898,507 1.625,508 1.153,509 1.04,510 0.993,511 1.09,512 0.985,513 1.3,514 1.07,515 0.999,516 0.981,517 0.886,518 0.974,519 1.291,520 1.038,521 1.15,522 1.074,523 1.05,524 1.099,525 0.916,526 0.912,527 1.109,528 1.05,529 1.141,530 1.083,531 0.587,532 1.039,533 0.954,534 1.056,535 0.996,536 1.032,537 1.01,538 1.058,539 0.899,540 0.954,541 0.929,542 0.927,543 1.37,544 1.033,545 0.916,546 0.894,547 0.866,548 0.881,549 2.5,550 0.074,551 2.444,552 1.25,553 0.871,554 0.25,555 0.16,556 0.142,557 0.148,558 0.109,559 7495,560 15128,561 2.213,562 45.5,564 18,566 2,572 1.663,573 2.182,574 3.343,575 -0.905,582 53.669,583 1.22,584 2.573,585 3.482,586 4.187,587 4.369,588 4.369,589 2.626,590 3.418,591 4.566,592 3.502,593 966.637,594 7.841,595 11886.3,597 1,600 240.215,601 0.811,602 4.56,603 0.093,604 0.003,605 0.068,606 0.034,607 0.029,608 0.011,609 0.009,610 0.008,611 0.007,612 0.005,613 0.266,614 0.5,615 1,617 115.813,618 0.122,619 -0.162,620 0.076,621 -0.042,622 0.012,623 0.004,624 -0.146,625 -0.075,626 -0.103,627 -0.083,628 -0.176,629 -0.089,630 -0.063,631 -0.046,632 -0.031,633 -0.033,634 0.028,635 -0.031,636 -0.193,637 -0.041,638 -0.177,639 -0.111,640 -0.099,641 -0.137,642 -0.023,643 0.045,644 -0.12,645 -0.06,646 -0.128,647 -0.089,648 0.126,649 -0.121,650 0.048,651 -0.044,652 0.002,653 -0.01,654 0.119,655 -0.076,656 0.116,657 0.027,658 0.043,659 0.063,660 0.018,661 -0.003,662 0.092,663 0.06,664 0.095,665 0.077,666 0.618,667 0.277,668 0.833,669 17.333,670 0.981,671 1.108,672 4.022,673 16.178,674 0.701,675 3.332,676 3.611,677 3.912,678 4.174,679 4.382,680 4.29,681 4.344,682 4.394,683 4.477,684 4.344,685 6.393,686 0.654,687 312.44,688 3.332,689 4.844,690 5.694,691 6.555,692 7.418,693 8.284,694 9.149,695 10.017,696 10.883,697 11.751,698 4.5,708 2,714 4,715 14,721 2,722 22,741 44,743 23,744 2,745 27,747 47,748 22,749 18,750 4,751 8,756 4,757 6,772 20,773 2,777 1,784 2,790 1,793 20,796 2,802 2,803 2,808 0.5,822 2,829 4,833 2,849 2,859 2,868 24,876 2,901 11,902 7.833,903 5.361,904 2.722,907 5.171,908 1.7,909 1.047,910 4.24,911 12.557,912 3.689,913 4.331,914 4.997,915 5.636,916 6.223,917 6.431,918 6.797,919 7.155,920 7.522,921 7.334,922 0.857,923 37,924 8.834,926 3.674,927 0.026,929 7.403,931 17.459,933 14.391,936 1.903,937 45.667,940 1,941 235.422,942 164.408,943 3.798,948 164.408,949 235.422,950 3.798,952 4.211,953 132.667,954 27.34,955 27.529,957 211.88,959 235.422,960 168.206,964 235.422,968 26.595,969 118.861,970 22.751,972 235.422,973 3.798,974 164.408,977 235.422,978 13.646,979 154.56,982 235.422,983 3.798,984 164.408,986 0.564,987 0.341,988 0.199,989 0.106,990 18,991 6,992 0.085,993 4,994 2,995 1.2,996 3.825,997 192.323,998 0.2,999 20,1000 82.039,1005 14.888,1006 6.835,1007 3.189,1008 5.082,1010 29.792,1016 4.555,1018 403.628,1019 39,1026 4.475,1031 43.156,1032 48.733,1034 0.223,1035 0.471,1036 0.638,1037 0.767,1038 0.8,1039 0.8,1040 4.871,1041 1.276,1042 5.631,1043 3.176,1044 4.29,1045 5.017,1046 0.736,1047 6.412,1048 4.236,1049 6.076,1050 1.261,1051 7.159,1052 2.847,1053 3.611,1054 4.691,1056 7.273,1057 3.483,1058 7.373,1059 1,1060 8.797,1061 2.777,1062 5.832,1063 7.316,1064 0.259,1065 10.41,1066 5.707,1067 8.715,1068 0.823,1069 10.508,1070 2.276,1071 6.089,1072 7.942,1074 12.183,1075 5.887,1076 10.095,1077 0.374,1078 12.266,1079 1.884,1080 7.684,1081 9.935,1082 0.077,1083 14.792,1084 7.484,1085 11.504,1086 -0.189,1087 14.057,1088 0.849,1089 8.401,1090 11.027,1092 16.902,1093 8.135,1094 12.936,1095 -0.49,1096 15.869,1097 -0.456,1098 9.719,1099 12.74,1100 0.022,1101 19.334,1102 9.443,1103 3.034,1104 -0.618,1105 17.698,1106 -1.157,1107 10.653,1108 14.05,1110 21.572,1111 10.323,1112 3.026,1113 10.196,1114 19.537,1115 -1.478,1116 11.85,1117 15.639,1118 0.006,1119 23.938,1120 11.5,1121 2.171,1122 10.193,1123 21.384,1124 4.431,1125 12.883,1126 17.048,1128 26.226,1129 12.486,1130 2.1,1131 6.274,1132 23.237,1133 4.429,1134 14.028,1135 18.582,1136 0.002,1137 28.566,1138 13.605,1139 1.618,1140 6.227,1141 25.094,1142 2.947,1143 15.104,1144 20.035,1146 30.874,1147 14.639,1148 1.618,1149 3.853,1150 26.955,1151 2.9,1152 16.228,1153 21.544,1155 33.203,1156 15.732,1157 1.492,1158 3.799,1159 28.819,1160 2.427,1161 17.322,1162 23.016,1164 35.519,1165 16.787,1166 6892,1167 9867,1168 19.068,1169 30.864,1170 39.689,1171 40.006,1172 40.079,1173 39.634,1174 39.586,1175 56.963,1176 2.086,1177 108.703,1178 38.59,1179 5.245,1180 5.094,1181 6.198,1182 5.035,1183 5.034,1184 7.431,1185 1.043,1186 16.976,1187 4.927,1189 1.47,1190 1.482,1191 1.484,1192 1.468,1193 1.466,1194 2.11,1195 0.077,1196 4.026,1197 1.429,1198 4.134,1199 4.171,1200 4.086,1201 4.045,1202 4.95,1203 4.05,1204 4.082,1205 4.116,1206 4.038,1207 4.001,1208 4.906,1209 4.005,1210 3.65,1211 3.701,1212 3.542,1213 3.547,1214 4.435,1215 3.539,1216 3.494,1217 3.549,1218 3.392,1219 3.381,1220 4.353,1221 3.377,1222 3.404,1223 3.453,1224 3.288,1225 3.318,1226 4.251,1227 3.305,1228 3.179,1229 3.246,1230 3.057,1231 3.028,1232 3.922,1233 3.028,1234 2.993,1235 3.055,1236 2.883,1237 2.862,1238 3.806,1239 2.86,1240 2.778,1241 2.861,1242 2.578,1243 2.633,1244 3.455,1245 2.609,1246 0.167,1247 0.115,1248 0.241,1249 0.148,1250 0.112,1251 4.496,1252 0.164,1253 3.094,1254 0.019,1255 6.506,1256 0.378,1257 3.997,1258 0.108,1259 3.034,1260 4.431,1261 0.522,1262 10.196,1263 2.927,1264 2.078,1265 2.047,1266 2.167,1267 2.188,1268 1.314,1269 2.184,1270 2.062,1271 2.033,1272 2.147,1273 2.164,1274 1.283,1275 2.161,1276 1.657,1277 1.608,1278 1.847,1279 1.789,1280 0.995,1281 1.812,1282 1.491,1283 1.442,1284 1.677,1285 1.639,1286 0.769,1287 1.656,1288 1.423,1289 1.377,1290 1.621,1291 1.546,1292 0.655,1293 1.575,1294 1.172,1295 1.105,1296 1.426,1297 1.361,1298 0.583,1299 1.387,1300 0.987,1301 0.93,1302 1.216,1303 1.161,1304 0.289,1305 1.183,1306 0.815,1307 0.737,1308 1.14,1309 1.015,1310 0.228,1311 1.063,1312 4.007,1314 5.293,1316 6.804,1318 8.42,1320 10.088,1328 1.763,1340 28.784,1341 53.669,1342 113.195,1343 153.195,1344 184.215,1345 192.215,1346 192.215,1347 23.072,1348 7.386,1349 7.76,1350 7.76,1351 24,1352 12.295,1353 4.585,1354 3.7,1355 34.118,1356 96,1357 66,1358 0.174,1359 176.543,1360 291.72,1361 422.525,1362 18576,1364 16.192,1365 0.675,1366 0.569,1367 16.192,1368 13.652,1369 11.916,1370 0.441,1371 0.315,1372 8.44,1373 11.716,1374 8.265,1375 6.89,1376 11.916,1377 8.5,1378 10.083,1379 0.28,1380 0.171,1381 10.083,1382 6.156,1383 8.846,1384 0.181,1385 0.094,1386 8.846,1387 4.602,1388 7.673,1389 0.12,1390 0.053,1391 7.673,1392 3.362,1393 6.38,1394 0.081,1395 0.03,1396 6.38,1397 2.348,1398 0.28,1399 72.645,1400 0.229,1401 23.773,1402 0.459,1403 126,1404 252.666,1405 130.829,1406 260.616,1407 376.4,1408 248,1409 148,1410 292.07,1411 153.995,1412 301.615,1413 439.07,1414 287,1415 5.222}
{0 CHEMBL1761999,1 1.22,2 10.5,3 4.524,4 20.463,5 99.702,6 7.101,7 0.815,8 3.867,9 3.987,10 3.424,11 3.507,12 4.907,13 3.46,14 4.365,15 4.529,16 3.733,17 3.885,18 5.329,19 3.815,20 4.629,21 4.845,22 3.782,23 4.027,24 5.5,25 3.92,26 4.658,27 4.892,28 3.614,29 3.994,30 5.488,31 3.849,32 4.635,33 4.9,34 3.39,35 3.889,36 5.413,37 3.705,38 4.475,39 4.758,40 3.167,41 3.665,42 5.197,43 3.469,44 4.274,45 4.55,46 3.137,47 3.484,48 5.009,49 3.329,50 4.175,51 4.427,52 3.206,53 3.463,54 4.976,55 3.343,56 0.043,57 0.576,58 9.065,59 3.924,60 8.147,61 5.43,62 0.108,63 0.977,64 15.872,65 6.287,66 14.046,67 8.779,68 0.137,69 1.248,70 21.87,71 8.863,72 18.75,73 12.506,74 0.144,75 1.267,76 22.928,77 9.422,78 20.131,79 13.318,80 0.159,81 1.219,82 23.124,83 9.754,84 22.742,85 13.848,86 0.096,87 1.016,88 20.017,89 8.625,90 19.089,91 12.31,92 0.096,93 0.858,94 16.291,95 6.583,96 14.402,97 9.416,98 0.098,99 0.793,100 14.422,101 5.619,102 12.748,103 8.009,105 36,106 0.207,107 0.437,108 0.592,109 0.712,110 0.743,111 0.743,112 3.228,113 0.944,114 -5.25,115 -5.14,116 -4.81,121 50,127 2,137 2,144 12,145 2,147 2,148 2,176 13,187 12,189 8,200 10,203 8,214 12,216 2,227 14,230 1,239 8,251 2,253 6,266 6,277 9,279 2,281 728,282 16.966,283 16.966,284 16.966,285 16.966,286 16.966,287 14.133,288 12.77,289 10.381,290 17.179,291 13.38,292 13.38,293 13.38,294 13.38,295 13.38,296 9.306,297 19.216,298 4.906,299 13.743,300 4.24,301 2.887,302 1.978,303 1.273,304 1.091,305 1.091,306 3.938,311 1,312 1,313 564,314 2.646,318 233.873,322 199.598,325 1.417,326 5.643,328 1,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 49,338 252,339 4.496,340 3.094,341 6.506,342 3.997,343 3.034,344 4.431,345 0.522,346 10.196,347 2.927,348 4.491,349 3.074,350 6.505,351 3.99,352 3.026,353 4.429,354 0.522,355 10.193,356 2.922,357 3.563,358 2.371,359 5.21,360 3.132,361 2.171,362 2.947,364 6.274,365 2.08,366 3.5,367 2.23,368 5.196,369 3.054,370 2.1,371 2.9,373 6.227,374 1.995,375 3.118,376 1.709,377 4.19,378 2.614,379 1.618,380 2.427,382 3.853,383 1.612,384 3.118,385 1.618,386 4.165,387 2.614,388 1.618,389 2.427,391 3.799,392 1.612,393 3.034,394 1.618,395 3.679,396 2.482,397 1.492,398 2.11,400 3.176,401 1.475,402 2.77,403 1.301,404 3.596,405 2.266,406 1.276,407 1.904,409 2.847,410 1.263,411 2.764,412 1.267,413 3.558,414 2.252,415 1.261,416 1.889,418 2.777,419 1.248,420 2.398,421 1.175,422 3.365,423 1.988,424 1,425 1.359,427 2.276,428 0.986,429 2.317,430 0.869,431 3.218,432 1.808,433 0.823,434 1.208,436 1.884,437 0.81,438 1.609,439 0.637,440 2.853,441 1.352,442 0.374,443 0.45,445 0.849,446 0.365,447 1.247,448 -0.089,449 2.424,450 0.787,451 -0.189,452 -0.26,454 -0.456,455 -0.184,456 0.907,457 -0.342,458 2.319,459 0.5,460 -0.49,461 -0.657,463 -1.157,464 -0.485,465 0.882,466 -0.618,467 2.186,468 0.357,469 -0.618,470 -0.927,472 -1.478,473 -0.6,474 11.8,475 0.492,476 0.342,477 0.014,478 34,479 1.417,480 19,481 0.792,482 15,483 0.625,484 15.533,485 0.647,486 23.6,487 0.536,488 22.229,489 0.926,490 7.016,491 0.292,492 4.899,493 0.204,496 0.237,501 0.985,502 1.2,503 0.817,504 0.966,505 0.899,506 0.898,507 1.625,508 1.153,509 1.04,510 0.993,511 1.09,512 0.985,513 1.3,514 1.07,515 0.999,516 0.981,517 0.886,518 0.974,519 1.291,520 1.038,521 1.15,522 1.074,523 1.05,524 1.099,525 0.916,526 0.912,527 1.109,528 1.05,529 1.141,530 1.083,531 0.587,532 1.039,533 0.954,534 1.056,535 0.996,536 1.032,537 1.01,538 1.058,539 0.899,540 0.954,541 0.929,542 0.927,543 1.37,544 1.033,545 0.916,546 0.894,547 0.866,548 0.881,549 2.5,550 0.074,551 2.444,552 1.25,553 0.871,554 0.25,555 0.16,556 0.142,557 0.148,558 0.109,559 7495,560 15128,561 2.213,562 45.5,564 18,566 2,572 1.663,573 2.182,574 3.343,575 -0.905,582 53.669,583 1.22,584 2.573,585 3.482,586 4.187,587 4.369,588 4.369,589 2.626,590 3.418,591 4.566,592 3.502,593 966.637,594 7.841,595 11886.3,597 1,600 240.215,601 0.811,602 4.56,603 0.093,604 0.003,605 0.068,606 0.034,607 0.029,608 0.011,609 0.009,610 0.008,611 0.007,612 0.005,613 0.266,614 0.5,615 1,617 115.813,618 0.122,619 -0.162,620 0.076,621 -0.042,622 0.012,623 0.004,624 -0.146,625 -0.075,626 -0.103,627 -0.083,628 -0.176,629 -0.089,630 -0.063,631 -0.046,632 -0.031,633 -0.033,634 0.028,635 -0.031,636 -0.193,637 -0.041,638 -0.177,639 -0.111,640 -0.099,641 -0.137,642 -0.023,643 0.045,644 -0.12,645 -0.06,646 -0.128,647 -0.089,648 0.126,649 -0.121,650 0.048,651 -0.044,652 0.002,653 -0.01,654 0.119,655 -0.076,656 0.116,657 0.027,658 0.043,659 0.063,660 0.018,661 -0.003,662 0.092,663 0.06,664 0.095,665 0.077,666 0.618,667 0.277,668 0.833,669 17.333,670 0.981,671 1.108,672 4.022,673 16.178,674 0.701,675 3.332,676 3.611,677 3.912,678 4.174,679 4.382,680 4.29,681 4.344,682 4.394,683 4.477,684 4.344,685 6.393,686 0.654,687 312.44,688 3.332,689 4.844,690 5.694,691 6.555,692 7.418,693 8.284,694 9.149,695 10.017,696 10.883,697 11.751,698 4.5,708 2,714 4,715 14,721 2,722 22,741 44,743 23,744 2,745 27,747 47,748 22,749 18,750 4,751 8,756 4,757 6,772 20,773 2,777 1,784 2,790 1,793 20,796 2,802 2,803 2,808 0.5,822 2,829 4,833 2,849 2,859 2,868 24,876 2,901 11,902 7.833,903 5.361,904 2.722,907 5.171,908 1.7,909 1.047,910 4.24,911 12.557,912 3.689,913 4.331,914 4.997,915 5.636,916 6.223,917 6.431,918 6.797,919 7.155,920 7.522,921 7.334,922 0.857,923 37,924 8.834,926 3.674,927 0.026,929 7.403,931 17.459,933 14.391,936 1.903,937 45.667,940 1,941 235.422,942 164.408,943 3.798,948 164.408,949 235.422,950 3.798,952 4.211,953 132.667,954 27.34,955 27.529,957 211.88,959 235.422,960 168.206,964 235.422,968 26.595,969 118.861,970 22.751,972 235.422,973 3.798,974 164.408,977 235.422,978 13.646,979 154.56,982 235.422,983 3.798,984 164.408,986 0.564,987 0.341,988 0.199,989 0.106,990 18,991 6,992 0.085,993 4,994 2,995 1.2,996 3.825,997 192.323,998 0.2,999 20,1000 82.039,1005 14.888,1006 6.835,1007 3.189,1008 5.082,1010 29.792,1016 4.555,1018 403.628,1019 39,1026 4.475,1031 43.156,1032 48.733,1034 0.223,1035 0.471,1036 0.638,1037 0.767,1038 0.8,1039 0.8,1040 4.871,1041 1.276,1042 5.631,1043 3.176,1044 4.29,1045 5.017,1046 0.736,1047 6.412,1048 4.236,1049 6.076,1050 1.261,1051 7.159,1052 2.847,1053 3.611,1054 4.691,1056 7.273,1057 3.483,1058 7.373,1059 1,1060 8.797,1061 2.777,1062 5.832,1063 7.316,1064 0.259,1065 10.41,1066 5.707,1067 8.715,1068 0.823,1069 10.508,1070 2.276,1071 6.089,1072 7.942,1074 12.183,1075 5.887,1076 10.095,1077 0.374,1078 12.266,1079 1.884,1080 7.684,1081 9.935,1082 0.077,1083 14.792,1084 7.484,1085 11.504,1086 -0.189,1087 14.057,1088 0.849,1089 8.401,1090 11.027,1092 16.902,1093 8.135,1094 12.936,1095 -0.49,1096 15.869,1097 -0.456,1098 9.719,1099 12.74,1100 0.022,1101 19.334,1102 9.443,1103 3.034,1104 -0.618,1105 17.698,1106 -1.157,1107 10.653,1108 14.05,1110 21.572,1111 10.323,1112 3.026,1113 10.196,1114 19.537,1115 -1.478,1116 11.85,1117 15.639,1118 0.006,1119 23.938,1120 11.5,1121 2.171,1122 10.193,1123 21.384,1124 4.431,1125 12.883,1126 17.048,1128 26.226,1129 12.486,1130 2.1,1131 6.274,1132 23.237,1133 4.429,1134 14.028,1135 18.582,1136 0.002,1137 28.566,1138 13.605,1139 1.618,1140 6.227,1141 25.094,1142 2.947,1143 15.104,1144 20.035,1146 30.874,1147 14.639,1148 1.618,1149 3.853,1150 26.955,1151 2.9,1152 16.228,1153 21.544,1155 33.203,1156 15.732,1157 1.492,1158 3.799,1159 28.819,1160 2.427,1161 17.322,1162 23.016,1164 35.519,1165 16.787,1166 6892,1167 9867,1168 19.068,1169 30.864,1170 39.689,1171 40.006,1172 40.079,1173 39.634,1174 39.586,1175 56.963,1176 2.086,1177 108.703,1178 38.59,1179 5.245,1180 5.094,1181 6.198,1182 5.035,1183 5.034,1184 7.431,1185 1.043,1186 16.976,1187 4.927,1189 1.47,1190 1.482,1191 1.484,1192 1.468,1193 1.466,1194 2.11,1195 0.077,1196 4.026,1197 1.429,1198 4.134,1199 4.171,1200 4.086,1201 4.045,1202 4.95,1203 4.05,1204 4.082,1205 4.116,1206 4.038,1207 4.001,1208 4.906,1209 4.005,1210 3.65,1211 3.701,1212 3.542,1213 3.547,1214 4.435,1215 3.539,1216 3.494,1217 3.549,1218 3.392,1219 3.381,1220 4.353,1221 3.377,1222 3.404,1223 3.453,1224 3.288,1225 3.318,1226 4.251,1227 3.305,1228 3.179,1229 3.246,1230 3.057,1231 3.028,1232 3.922,1233 3.028,1234 2.993,1235 3.055,1236 2.883,1237 2.862,1238 3.806,1239 2.86,1240 2.778,1241 2.861,1242 2.578,1243 2.633,1244 3.455,1245 2.609,1246 0.167,1247 0.115,1248 0.241,1249 0.148,1250 0.112,1251 4.496,1252 0.164,1253 3.094,1254 0.019,1255 6.506,1256 0.378,1257 3.997,1258 0.108,1259 3.034,1260 4.431,1261 0.522,1262 10.196,1263 2.927,1264 2.078,1265 2.047,1266 2.167,1267 2.188,1268 1.314,1269 2.184,1270 2.062,1271 2.033,1272 2.147,1273 2.164,1274 1.283,1275 2.161,1276 1.657,1277 1.608,1278 1.847,1279 1.789,1280 0.995,1281 1.812,1282 1.491,1283 1.442,1284 1.677,1285 1.639,1286 0.769,1287 1.656,1288 1.423,1289 1.377,1290 1.621,1291 1.546,1292 0.655,1293 1.575,1294 1.172,1295 1.105,1296 1.426,1297 1.361,1298 0.583,1299 1.387,1300 0.987,1301 0.93,1302 1.216,1303 1.161,1304 0.289,1305 1.183,1306 0.815,1307 0.737,1308 1.14,1309 1.015,1310 0.228,1311 1.063,1312 4.007,1314 5.293,1316 6.804,1318 8.42,1320 10.088,1328 1.763,1340 28.784,1341 53.669,1342 113.195,1343 153.195,1344 184.215,1345 192.215,1346 192.215,1347 23.072,1348 7.386,1349 7.76,1350 7.76,1351 24,1352 12.295,1353 4.585,1354 3.7,1355 34.118,1356 96,1357 66,1358 0.174,1359 176.543,1360 291.72,1361 422.525,1362 18576,1364 16.192,1365 0.675,1366 0.569,1367 16.192,1368 13.652,1369 11.916,1370 0.441,1371 0.315,1372 8.44,1373 11.716,1374 8.265,1375 6.89,1376 11.916,1377 8.5,1378 10.083,1379 0.28,1380 0.171,1381 10.083,1382 6.156,1383 8.846,1384 0.181,1385 0.094,1386 8.846,1387 4.602,1388 7.673,1389 0.12,1390 0.053,1391 7.673,1392 3.362,1393 6.38,1394 0.081,1395 0.03,1396 6.38,1397 2.348,1398 0.28,1399 72.645,1400 0.229,1401 23.773,1402 0.459,1403 126,1404 252.666,1405 130.829,1406 260.616,1407 376.4,1408 248,1409 148,1410 292.07,1411 153.995,1412 301.615,1413 439.07,1414 287,1415 5.699}
{0 CHEMBL1762000,1 1.197,2 10.214,3 5.574,4 31.072,5 114.519,6 7.25,7 0.875,8 4.001,9 4.116,10 3.579,11 3.667,12 5.048,13 3.62,14 4.504,15 4.659,16 3.915,17 4.064,18 5.474,19 3.997,20 4.78,21 4.978,22 3.989,23 4.222,24 5.659,25 4.12,26 4.861,27 5.086,28 3.888,29 4.214,30 5.688,31 4.083,32 4.881,33 5.134,34 3.842,35 4.202,36 5.681,37 4.06,38 4.799,39 5.035,40 3.845,41 4.18,42 5.63,43 4.045,44 4.773,45 4.997,46 3.819,47 4.155,48 5.636,49 4.019,50 4.754,51 5.003,52 3.632,53 4.039,54 5.574,55 3.878,56 0.047,57 0.629,58 9.953,59 4.399,60 9.167,61 6.038,62 0.114,63 1.086,64 17.559,65 7.196,66 14.834,67 9.911,68 0.139,69 1.421,70 24.508,71 10.307,72 19.39,73 14.373,74 0.172,75 1.559,76 27.601,77 11.356,78 22.612,79 15.901,80 0.211,81 1.595,82 29.242,83 12.079,84 26.056,85 17.01,86 0.126,87 1.408,88 26.222,89 11.559,90 23.001,91 16.28,92 0.123,93 1.381,94 25.116,95 10.97,96 23.445,97 15.404,98 0.14,99 1.38,100 25.524,101 10.807,102 25.556,103 15.236,105 44,106 0.197,107 0.405,108 0.548,109 0.705,110 0.75,111 0.75,112 3.375,113 0.927,114 -5.95,115 -5.8,116 -5.4,121 52,127 2,144 16,145 4,147 2,148 2,176 18,187 18,189 8,200 13,203 10,214 12,216 6,227 20,229 2,230 1,239 26,251 22,253 6,264 10,266 6,277 11,279 2,281 1196,282 19.775,283 19.775,284 19.775,285 19.775,286 19.775,287 16.45,288 15.195,289 11.934,290 19.971,291 15.868,292 15.868,293 15.868,294 15.868,295 15.868,296 11.051,297 25.131,298 5.671,299 16.211,300 4.446,301 3.181,302 2.31,303 1.35,304 1.08,305 1.08,306 4.096,311 1,312 1,313 646,314 2.449,318 328.485,322 213.25,325 1.5,326 7.015,329 0.75,330 0.83,331 1,332 0.6,333 0.5,334 1,335 1,336 0.81,337 57,338 286,339 4.517,340 3.242,341 6.537,342 4.052,343 3.086,344 4.438,345 0.522,346 10.332,347 2.984,348 4.493,349 3.083,350 6.51,351 3.994,352 3.03,353 4.43,354 0.522,355 10.222,356 2.924,357 4.177,358 2.892,359 6.13,360 3.776,361 2.779,362 3.802,364 9.016,365 2.768,366 3.521,367 2.302,368 5.246,369 3.095,370 2.137,371 2.917,373 6.422,374 2.04,375 3.451,376 2.075,377 5.146,378 2.97,379 2.014,380 2.859,382 6.03,383 1.919,384 3.118,385 1.635,386 4.395,387 2.614,388 1.618,389 2.427,391 4.164,392 1.612,393 3.118,394 1.618,395 4.152,396 2.614,397 1.618,398 2.427,400 3.78,401 1.612,402 2.895,403 1.618,404 4.074,405 2.457,406 1.464,407 2.073,409 3.652,410 1.453,411 2.863,412 1.48,413 3.633,414 2.429,415 1.431,416 2.002,418 3.043,419 1.428,420 2.766,421 1.27,422 3.589,423 2.258,424 1.268,425 1.898,427 2.817,428 1.255,429 2.761,430 1.268,431 3.583,432 2.256,433 1.265,434 1.89,436 2.814,437 1.252,438 2.35,439 0.936,440 3.325,441 1.883,442 0.895,443 1.284,445 2.087,446 0.883,447 2.338,448 0.926,449 3.323,450 1.869,451 0.883,452 1.267,454 2.063,455 0.869,456 1.578,457 0.443,458 2.901,459 1.245,460 0.262,461 0.335,463 0.64,464 0.257,465 1.291,466 0.081,467 2.758,468 0.913,469 -0.06,470 -0.077,472 -0.153,473 -0.058,474 13.8,475 0.493,476 0.462,477 0.016,478 41.5,479 1.482,480 24,481 0.857,482 17.5,483 0.625,484 19.168,485 0.685,486 27,487 0.54,488 29.297,489 1.046,490 8.436,491 0.301,492 5.447,493 0.195,496 0.275,501 0.965,502 1.125,503 0.793,504 0.918,505 0.879,506 0.86,507 1.571,508 1.092,509 1,510 0.953,511 1.044,512 0.947,513 1.214,514 1.163,515 1.019,516 1.055,517 0.914,518 1.032,519 1.4,520 1.131,521 1.131,522 1.089,523 1.035,524 1.095,525 1.204,526 0.814,527 0.993,528 0.878,529 0.986,530 0.916,531 0.702,532 0.916,533 0.902,534 0.939,535 0.852,536 0.933,537 0.859,538 1.092,539 1.027,540 1.083,541 1.005,542 1.068,543 1.055,544 1.115,545 1.089,546 1.107,547 1.136,548 1.101,549 3.5,550 0.074,551 2.889,552 1.375,553 1.333,554 0.542,555 0.328,556 0.253,557 0.213,558 0.109,559 10346,560 20919,561 2.246,562 44,564 20,566 2,572 1.713,573 2.211,574 3.336,575 -0.919,582 59.874,583 1.197,584 2.463,585 3.334,586 4.294,587 4.564,588 4.564,589 2.7,590 3.664,591 4.785,592 3.48,593 1315.4,594 8.332,595 17114.9,600 282.193,601 0.863,602 4.781,603 0.109,604 0.003,605 0.066,606 0.03,607 0.033,608 0.014,609 0.008,610 0.007,611 0.007,612 0.004,613 0.282,614 0.5,615 0.75,617 139.234,618 0.119,619 -0.122,620 0.078,621 -0.02,622 0.014,623 0.018,624 -0.137,625 -0.04,626 -0.083,627 -0.055,628 -0.165,629 -0.064,630 -0.015,631 -0.152,632 -0.067,633 -0.114,634 -0.037,635 -0.097,636 -0.136,637 -0.111,638 -0.151,639 -0.135,640 -0.109,641 -0.142,642 -0.043,643 0.195,644 0.011,645 0.104,646 -0.01,647 0.069,648 0.051,649 0.032,650 0.074,651 0.058,652 0.099,653 0.066,654 0.009,655 -0.13,656 -0.061,657 -0.104,658 -0.021,659 -0.09,660 -0.033,661 -0.134,662 -0.092,663 -0.12,664 -0.095,665 -0.111,666 0.636,667 0.335,668 0.929,669 21.469,670 0.981,671 1.103,672 4.719,673 22.268,674 0.713,675 3.497,676 3.807,677 4.127,678 4.419,679 4.682,680 4.691,681 4.836,682 4.977,683 5.106,684 5.081,685 6.2,686 0.666,687 362.5,688 3.497,689 5.03,690 5.894,691 6.772,692 7.649,693 8.532,694 9.413,695 10.297,696 11.18,697 12.065,698 4,708 2,714 4,715 18,720 2,721 2,722 28,741 50,743 28,744 3,745 32,747 54,748 26,749 24,750 6,751 12,756 5,757 7,772 24,773 2,793 22,796 2,802 2,803 2,808 0.6,822 2,829 5,833 2,859 3,868 28,876 2,901 12.667,902 9,903 6.139,904 3.09,907 5.965,908 1.735,909 1.069,910 4.499,911 14.075,912 3.85,913 4.516,914 5.186,915 5.823,916 6.431,917 6.672,918 7.108,919 7.555,920 7.994,921 8.099,922 0.857,923 46,924 10.314,926 4.368,927 0.026,929 7.393,931 20.423,933 17.197,936 1.893,937 53,941 258.964,942 189.732,943 3.798,948 189.732,949 258.964,950 3.798,952 4.211,953 151.62,954 27.34,955 33.9,957 235.422,959 258.964,960 193.53,964 258.964,968 26.595,969 163.137,970 3.798,972 258.964,973 3.798,974 189.732,977 258.964,978 20.017,979 173.513,982 258.964,983 3.798,984 189.732,986 0.572,987 0.345,988 0.201,989 0.112,990 23,991 8,992 0.074,993 4,994 2,995 1.154,996 4.057,997 255.692,998 0.154,999 26,1000 102.606,1005 16.941,1006 7.435,1007 3.394,1008 5.062,1010 38.837,1015 2.702,1016 4.671,1018 452.494,1019 46,1031 49.04,1032 55.149,1034 0.212,1035 0.436,1036 0.591,1037 0.761,1038 0.809,1039 0.809,1040 5.05,1041 1.464,1042 5.849,1043 3.78,1044 4.489,1045 5.204,1046 0.736,1047 6.655,1048 4.444,1049 6.264,1050 1.431,1051 7.393,1052 3.652,1053 3.892,1054 4.913,1056 7.535,1057 3.797,1058 7.571,1059 1.268,1060 9.044,1061 3.043,1062 6.061,1063 7.504,1064 0.259,1065 10.673,1066 5.962,1067 8.92,1068 1.265,1069 10.761,1070 2.817,1071 6.365,1072 8.121,1074 12.427,1075 6.212,1076 10.304,1077 0.895,1078 12.523,1079 2.814,1080 7.933,1081 10.105,1082 0.077,1083 15.041,1084 7.774,1085 11.714,1086 0.883,1087 14.313,1088 2.087,1089 8.67,1090 11.17,1092 17.129,1093 8.461,1094 13.145,1095 0.262,1096 16.123,1097 2.063,1098 9.976,1099 12.881,1100 0.022,1101 19.561,1102 9.754,1103 3.086,1104 -0.06,1105 17.947,1106 0.64,1107 10.916,1108 14.165,1110 21.783,1111 10.65,1112 3.03,1113 10.332,1114 19.781,1115 -0.153,1116 12.108,1117 15.751,1118 0.006,1119 24.147,1120 11.82,1121 2.779,1122 10.222,1123 21.623,1124 4.438,1125 13.141,1126 17.14,1128 26.425,1129 12.813,1130 2.137,1131 9.016,1132 23.47,1133 4.43,1134 14.284,1135 18.67,1136 0.002,1137 28.764,1138 13.93,1139 2.014,1140 6.422,1141 25.322,1142 3.802,1143 15.36,1144 20.109,1146 31.067,1147 14.967,1148 1.618,1149 6.03,1150 27.176,1151 2.917,1152 16.483,1153 21.613,1155 33.396,1156 16.061,1157 1.618,1158 4.164,1159 29.034,1160 2.859,1161 17.578,1162 23.077,1164 35.71,1165 17.119,1166 9405,1167 13461,1168 22.652,1169 35.625,1170 47.641,1171 47.711,1172 48.107,1173 47.547,1174 47.498,1175 68.099,1176 2.086,1177 134.163,1178 46.511,1179 5.335,1180 5.242,1181 6.226,1182 5.09,1183 5.086,1184 7.438,1185 1.043,1186 17.255,1187 4.984,1189 1.489,1190 1.491,1191 1.503,1192 1.486,1193 1.484,1194 2.128,1195 0.065,1196 4.193,1197 1.453,1198 4.151,1199 4.187,1200 4.103,1201 4.064,1202 4.957,1203 4.069,1204 4.083,1205 4.117,1206 4.039,1207 4.001,1208 4.906,1209 4.006,1210 3.885,1211 3.912,1212 3.822,1213 3.84,1214 4.701,1215 3.832,1216 3.498,1217 3.553,1218 3.397,1219 3.385,1220 4.354,1221 3.38,1222 3.48,1223 3.533,1224 3.378,1225 3.374,1226 4.347,1227 3.368,1228 3.214,1229 3.276,1230 3.091,1231 3.091,1232 3.957,1233 3.084,1234 3.205,1235 3.269,1236 3.083,1237 3.069,1238 3.94,1239 3.065,1240 2.895,1241 2.957,1242 2.764,1243 2.786,1244 3.654,1245 2.774,1246 0.141,1247 0.101,1248 0.204,1249 0.127,1250 0.096,1251 4.517,1252 0.139,1253 3.242,1254 0.016,1255 6.537,1256 0.323,1257 4.052,1258 0.093,1259 3.086,1260 4.438,1261 0.522,1262 10.332,1263 2.984,1264 2.09,1265 2.06,1266 2.177,1267 2.198,1268 1.35,1269 2.194,1270 2.062,1271 2.034,1272 2.148,1273 2.165,1274 1.285,1275 2.162,1276 1.897,1277 1.873,1278 2.012,1279 1.965,1280 1.149,1281 1.982,1282 1.494,1283 1.445,1284 1.68,1285 1.643,1286 0.785,1287 1.659,1288 1.481,1289 1.433,1290 1.667,1291 1.621,1292 0.719,1293 1.64,1294 1.221,1295 1.162,1296 1.46,1297 1.385,1298 0.598,1299 1.414,1300 1.205,1301 1.143,1302 1.449,1303 1.379,1304 0.583,1305 1.407,1306 0.913,1307 0.856,1308 1.172,1309 1.076,1310 0.253,1311 1.112,1312 4.174,1314 5.485,1316 7.017,1318 8.648,1320 10.325,1328 1.728,1340 33.311,1341 59.874,1342 123.134,1343 166.683,1344 214.683,1345 228.193,1346 228.193,1347 27.983,1348 8.11,1349 7.76,1350 7.76,1351 30,1352 12.597,1353 4.858,1354 3.907,1355 37.529,1356 104,1357 90,1358 0.173,1359 201.664,1360 332.38,1361 483.821,1362 44672,1364 18.761,1365 0.67,1366 0.565,1367 18.761,1368 15.807,1369 13.882,1370 0.434,1371 0.309,1372 9.825,1373 13.69,1374 9.606,1375 7.983,1376 13.882,1377 9.884,1378 12.075,1379 0.274,1380 0.168,1381 12.075,1382 7.399,1383 10.724,1384 0.176,1385 0.092,1386 10.724,1387 5.64,1388 9.411,1389 0.115,1390 0.051,1391 9.411,1392 4.206,1393 8.079,1394 0.076,1395 0.029,1396 8.079,1397 3.061,1398 0.268,1399 84.443,1400 0.21,1401 26.468,1402 0.484,1403 152,1404 302.666,1405 156.829,1406 313.182,1407 454.32,1408 298,1409 181,1410 354.07,1411 187.328,1412 367.114,1413 536.21,1414 349,1415 4.456}
{0 CHEMBL1762001,1 1.197,2 11.036,3 5.574,4 31.072,5 114.519,6 7.25,7 0.875,8 4.001,9 4.116,10 3.579,11 3.667,12 5.047,13 3.62,14 4.504,15 4.659,16 3.915,17 4.064,18 5.476,19 3.997,20 4.78,21 4.977,22 3.974,23 4.216,24 5.666,25 4.111,26 4.858,27 5.096,28 3.854,29 4.194,30 5.675,31 4.059,32 4.81,33 5.045,34 3.775,35 4.161,36 5.633,37 4.012,38 4.773,39 5.034,40 3.719,41 4.095,42 5.573,43 3.947,44 4.628,45 4.852,46 3.651,47 4.015,48 5.479,49 3.872,50 4.591,51 4.842,52 3.488,53 3.876,54 5.383,55 3.718,56 0.047,57 0.629,58 9.953,59 4.399,60 9.056,61 6.038,62 0.114,63 1.086,64 17.559,65 7.196,66 14.612,67 9.911,68 0.138,69 1.421,70 24.493,71 10.305,72 20.473,73 14.368,74 0.183,75 1.561,76 28.011,77 11.425,78 23.806,79 16.029,80 0.136,81 1.436,82 26.476,83 11.499,84 23.639,85 16.173,86 0.174,87 1.403,88 26.475,89 11.314,90 24.806,91 15.989,92 0.093,93 1.175,94 21.681,95 9.739,96 20.5,97 13.692,98 0.114,99 1.168,100 21.712,101 9.245,102 19.778,103 13.047,105 44,106 0.197,107 0.405,108 0.56,109 0.725,110 0.763,111 0.763,112 3.375,113 0.926,114 -5.95,115 -5.8,116 -5.4,121 52,127 2,144 16,145 4,147 2,148 2,176 18,187 18,189 8,200 13,203 10,214 12,216 6,227 20,229 2,239 26,242 1,251 22,264 10,266 6,277 2,279 6,281 1130,282 19.723,283 19.723,284 19.723,285 19.723,286 19.723,287 16.426,288 16.763,289 11.887,290 19.919,291 15.88,292 15.88,293 15.88,294 15.88,295 15.88,296 11.073,297 28.586,298 5.671,299 16.224,300 4.446,301 3.181,302 2.232,303 1.232,304 1,305 1,306 4.096,311 1,312 1,313 700,314 2.449,318 346.688,322 228.584,325 1.679,326 7.107,329 0.75,330 0.83,331 1,332 0.6,333 0.5,334 1,335 1,336 0.81,337 57,338 309,339 4.505,340 3.159,341 6.517,342 4.02,343 3.057,344 4.435,345 0.522,346 10.251,347 2.949,348 4.496,349 3.103,350 6.513,351 4,352 3.037,353 4.431,354 0.522,355 10.234,356 2.929,357 4.066,358 2.804,359 5.649,360 3.663,361 2.666,362 3.675,364 7.867,365 2.659,366 3.594,367 2.473,368 5.324,369 3.223,370 2.249,371 2.976,373 6.749,374 2.187,375 3.451,376 2.074,377 5.11,378 2.97,379 2.014,380 2.858,382 5.988,383 1.919,384 3.198,385 1.886,386 4.812,387 2.758,388 1.78,389 2.469,391 5.258,392 1.736,393 3.118,394 1.618,395 4.152,396 2.614,397 1.618,398 2.427,400 3.781,401 1.612,402 3.118,403 1.618,404 4.126,405 2.614,406 1.618,407 2.427,409 3.748,410 1.612,411 2.77,412 1.294,413 3.597,414 2.267,415 1.276,416 1.904,418 2.844,419 1.264,420 2.766,421 1.271,422 3.59,423 2.259,424 1.269,425 1.899,427 2.823,428 1.255,429 2.674,430 1.242,431 3.502,432 2.201,433 1.204,434 1.755,436 2.645,437 1.201,438 2.346,439 0.934,440 3.336,441 1.878,442 0.891,443 1.278,445 2.09,446 0.879,447 2.339,448 0.926,449 3.32,450 1.87,451 0.883,452 1.268,454 2.07,455 0.87,456 1.385,457 0.224,458 2.882,459 1.021,460 0.047,461 0.06,463 0.125,464 0.045,465 1.369,466 0.188,467 2.79,468 1.018,469 0.04,470 0.053,472 0.103,473 0.039,474 13.8,475 0.493,476 0.479,477 0.017,478 41.5,479 1.482,480 24,481 0.857,482 17.5,483 0.625,484 18.833,485 0.673,486 27,487 0.54,488 28.933,489 1.033,490 8.42,491 0.301,492 5.446,493 0.194,496 0.275,501 0.965,502 1.125,503 0.793,504 0.918,505 0.888,506 0.86,507 1.571,508 1.092,509 1,510 0.953,511 1.021,512 0.947,513 1.226,514 1.193,515 1.051,516 1.089,517 0.974,518 1.066,519 1.441,520 1,521 1.084,522 0.99,523 1.001,524 1.012,525 0.916,526 1.027,527 1.059,528 1.066,529 1.033,530 1.069,531 0.832,532 0.716,533 0.884,534 0.815,535 0.866,536 0.845,537 0.629,538 1.083,539 1.021,540 1.111,541 1.059,542 1.092,543 0.952,544 1.13,545 1.04,546 1.095,547 1.047,548 1.076,549 4,550 0.091,551 2.444,552 1.625,553 1.173,554 0.486,555 0.284,556 0.26,557 0.147,558 0.12,559 11022,560 22215,561 2.246,562 44,564 20,566 2,572 1.709,573 2.211,574 3.435,575 -0.919,582 59.874,583 1.197,584 2.463,585 3.412,586 4.412,587 4.644,588 4.644,589 2.815,590 3.539,591 4.785,592 3.6,593 1360.82,594 8.308,595 18070.1,600 282.193,601 0.863,602 4.781,603 0.125,604 0.004,605 0.056,606 0.036,607 0.03,608 0.014,609 0.008,610 0.008,611 0.006,612 0.005,613 0.292,614 0.5,615 0.75,617 140.847,618 0.119,619 -0.122,620 0.078,621 -0.02,622 0.005,623 0.018,624 -0.137,625 -0.04,626 -0.083,627 -0.055,628 -0.142,629 -0.064,630 -0.028,631 -0.182,632 -0.099,633 -0.148,634 -0.072,635 -0.131,636 -0.166,637 0.023,638 -0.091,639 -0.027,640 -0.054,641 -0.049,642 -0.056,643 -0.065,644 -0.082,645 -0.078,646 -0.063,647 -0.081,648 0.07,649 0.255,650 0.122,651 0.191,652 0.132,653 0.165,654 0.042,655 -0.15,656 -0.061,657 -0.118,658 -0.081,659 -0.099,660 0.039,661 -0.154,662 -0.04,663 -0.105,664 -0.056,665 -0.082,666 0.63,667 0.323,668 0.929,669 23.643,670 0.981,671 1.103,672 4.719,673 22.268,674 0.713,675 3.497,676 3.807,677 4.111,678 4.407,679 4.654,680 4.654,681 4.779,682 4.927,683 5.043,684 5.037,685 6.655,686 0.666,687 362.5,688 3.497,689 5.03,690 5.889,691 6.765,692 7.635,693 8.515,694 9.388,695 10.27,696 11.143,697 12.025,698 4,708 2,714 4,715 18,720 2,721 2,722 28,741 50,743 28,744 3,745 32,747 54,748 26,749 24,750 6,751 12,756 5,757 7,772 24,773 2,793 22,796 2,802 2,803 2,808 0.6,822 2,829 5,833 2,859 3,868 28,876 2,901 12.667,902 9,903 6.111,904 3.083,907 5.753,908 1.709,909 1.069,910 4.499,911 13.864,912 3.85,913 4.516,914 5.178,915 5.821,916 6.421,917 6.661,918 7.085,919 7.539,920 7.969,921 8.081,922 1,923 45,924 10.314,926 4.368,927 0.026,929 7.393,931 20.423,933 17.192,936 1.893,937 53,941 258.964,942 189.732,943 3.798,948 189.732,949 258.964,950 3.798,952 4.211,953 151.62,954 27.34,955 33.9,957 235.422,959 258.964,960 193.53,964 258.964,968 26.595,969 163.137,970 3.798,972 258.964,973 3.798,974 189.732,977 258.964,978 20.017,979 173.513,982 258.964,983 3.798,984 189.732,986 0.573,987 0.341,988 0.199,989 0.11,990 23,991 8,992 0.074,993 4,994 2,995 1.154,996 4.122,997 251.119,998 0.154,999 26,1000 104.606,1005 16.941,1006 7.435,1007 3.514,1008 5.067,1010 38.916,1015 2.638,1016 4.638,1018 452.494,1019 46,1031 49.04,1032 55.149,1034 0.212,1035 0.436,1036 0.604,1037 0.782,1038 0.823,1039 0.823,1040 5.05,1041 1.618,1042 5.844,1043 3.781,1044 4.489,1045 5.204,1046 0.736,1047 6.637,1048 4.444,1049 6.264,1050 1.276,1051 7.378,1052 3.748,1053 3.892,1054 4.913,1056 7.476,1057 3.797,1058 7.569,1059 1.269,1060 9.016,1061 2.844,1062 6.052,1063 7.499,1064 0.259,1065 10.608,1066 5.951,1067 8.914,1068 1.204,1069 10.719,1070 2.823,1071 6.33,1072 8.101,1074 12.324,1075 6.171,1076 10.292,1077 0.891,1078 12.465,1079 2.645,1080 7.901,1081 10.089,1082 0.077,1083 14.937,1084 7.736,1085 11.697,1086 0.883,1087 14.24,1088 2.09,1089 8.611,1090 11.142,1092 17.009,1093 8.389,1094 13.121,1095 0.047,1096 16.037,1097 2.07,1098 9.918,1099 12.857,1100 0.022,1101 19.441,1102 9.683,1103 3.057,1104 0.04,1105 17.849,1106 0.125,1107 10.839,1108 14.136,1110 21.66,1111 10.553,1112 3.037,1113 10.251,1114 19.673,1115 0.103,1116 12.03,1117 15.725,1118 0.006,1119 24.025,1120 11.722,1121 2.666,1122 10.234,1123 21.507,1124 4.435,1125 13.052,1126 17.112,1128 26.305,1129 12.696,1130 2.249,1131 7.867,1132 23.348,1133 4.431,1134 14.193,1135 18.644,1136 0.002,1137 28.646,1138 13.809,1139 2.014,1140 6.749,1141 25.195,1142 3.675,1143 15.261,1144 20.084,1146 30.951,1147 14.834,1148 1.78,1149 5.988,1150 27.047,1151 2.976,1152 16.382,1153 21.59,1155 33.283,1156 15.922,1157 1.618,1158 5.258,1159 28.902,1160 2.858,1161 17.471,1162 23.054,1164 35.599,1165 16.971,1166 9976,1167 14252,1168 22.652,1169 35.625,1170 47.509,1171 47.605,1172 47.941,1173 47.318,1174 47.295,1175 67.83,1176 2.086,1177 133.149,1178 46.313,1179 5.302,1180 5.159,1181 6.206,1182 5.058,1183 5.057,1184 7.435,1185 1.043,1186 17.101,1187 4.949,1189 1.485,1190 1.488,1191 1.498,1192 1.479,1193 1.478,1194 2.12,1195 0.065,1196 4.161,1197 1.447,1198 4.148,1199 4.184,1200 4.099,1201 4.061,1202 4.956,1203 4.066,1204 4.086,1205 4.121,1206 4.042,1207 4.004,1208 4.908,1209 4.009,1210 3.885,1211 3.912,1212 3.821,1213 3.84,1214 4.698,1215 3.832,1216 3.513,1217 3.568,1218 3.413,1219 3.397,1220 4.358,1221 3.394,1222 3.471,1223 3.522,1224 3.369,1225 3.367,1226 4.342,1227 3.361,1228 3.256,1229 3.314,1230 3.136,1231 3.143,1232 3.972,1233 3.135,1234 3.153,1235 3.218,1236 3.033,1237 3.011,1238 3.918,1239 3.009,1240 2.895,1241 2.957,1242 2.766,1243 2.787,1244 3.653,1245 2.775,1246 0.141,1247 0.099,1248 0.204,1249 0.126,1250 0.096,1251 4.505,1252 0.139,1253 3.159,1254 0.016,1255 6.517,1256 0.32,1257 4.02,1258 0.092,1259 3.057,1260 4.435,1261 0.522,1262 10.251,1263 2.949,1264 2.087,1265 2.057,1266 2.175,1267 2.194,1268 1.337,1269 2.191,1270 2.065,1271 2.036,1272 2.151,1273 2.169,1274 1.291,1275 2.166,1276 1.897,1277 1.872,1278 2.012,1279 1.965,1280 1.144,1281 1.982,1282 1.507,1283 1.458,1284 1.692,1285 1.658,1286 0.836,1287 1.673,1288 1.473,1289 1.426,1290 1.658,1291 1.61,1292 0.7,1293 1.63,1294 1.266,1295 1.211,1296 1.496,1297 1.419,1298 0.623,1299 1.449,1300 1.149,1301 1.086,1302 1.394,1303 1.33,1304 0.524,1305 1.356,1306 0.913,1307 0.857,1308 1.172,1309 1.076,1310 0.253,1311 1.112,1312 4.174,1314 5.485,1316 7.011,1318 8.635,1320 10.305,1328 1.741,1340 33.311,1341 59.874,1342 123.134,1343 170.583,1344 220.583,1345 232.193,1346 232.193,1347 27.892,1348 8.11,1349 7.76,1350 7.76,1351 30,1352 12.561,1353 4.858,1354 3.907,1355 37.732,1356 115,1357 90,1358 0.16,1359 201.664,1360 332.38,1361 483.821,1362 44672,1364 18.761,1365 0.67,1366 0.565,1367 18.761,1368 15.807,1369 13.865,1370 0.433,1371 0.309,1372 9.819,1373 13.673,1374 9.596,1375 7.98,1376 13.865,1377 9.878,1378 12.169,1379 0.277,1380 0.169,1381 12.169,1382 7.45,1383 10.61,1384 0.177,1385 0.092,1386 10.61,1387 5.54,1388 9.415,1389 0.116,1390 0.052,1391 9.415,1392 4.183,1393 7.951,1394 0.076,1395 0.029,1396 7.951,1397 2.981,1398 0.254,1399 84.342,1400 0.21,1401 26.78,1402 0.435,1403 152,1404 302.666,1405 156.829,1406 313.523,1407 453.86,1408 298,1409 180,1410 353.07,1411 186.328,1412 366.704,1413 534.42,1414 348,1415 4.398}
{0 CHEMBL1762003,1 1.178,2 12.531,3 6.483,4 42.024,5 130.969,6 7.367,7 0.892,8 4.12,9 4.23,10 3.714,11 3.804,12 5.169,13 3.758,14 4.627,15 4.773,16 4.068,17 4.215,18 5.607,19 4.15,20 4.91,21 5.098,22 4.141,23 4.38,24 5.814,25 4.278,26 4.997,27 5.227,28 4.011,29 4.357,30 5.829,31 4.222,32 4.946,33 5.183,34 3.918,35 4.303,36 5.765,37 4.155,38 4.872,39 5.117,40 3.874,41 4.228,42 5.688,43 4.086,44 4.77,45 4.993,46 3.848,47 4.178,48 5.629,49 4.047,50 4.729,51 4.969,52 3.765,53 4.109,54 5.559,55 3.974,56 0.05,57 0.678,58 10.827,59 4.849,60 9.784,61 6.63,62 0.12,63 1.186,64 19.197,65 8.05,66 15.516,67 11.001,68 0.148,69 1.579,70 27.161,71 11.666,72 22.786,73 16.163,74 0.196,75 1.772,76 31.646,77 13.215,78 27.631,79 18.414,80 0.152,81 1.636,82 30.283,83 13.273,84 27.229,85 18.626,86 0.137,87 1.515,88 28.494,89 12.571,90 25.688,91 17.698,92 0.118,93 1.354,94 24.853,95 11.028,96 22.898,97 15.456,98 0.163,99 1.337,100 24.549,101 10.575,102 22.447,103 14.835,105 52,106 0.188,107 0.392,108 0.554,109 0.722,110 0.76,111 0.76,112 3.502,113 0.915,114 -6.6,115 -6.42,116 -5.95,121 53.6,127 2,144 18,145 6,147 2,148 2,176 23,187 26,189 8,200 22,203 10,214 18,216 6,227 22,229 4,239 26,241 4,251 28,253 2,264 28,267 1,277 22,281 1734,282 22.532,283 22.532,284 22.532,285 22.532,286 22.532,287 18.72,288 16.763,289 13.397,290 22.728,291 18.351,292 18.351,293 18.351,294 18.351,295 18.351,296 12.72,297 27.115,298 6.402,299 18.696,300 4.629,301 3.348,302 2.332,303 1.277,304 1.036,305 1.036,306 4.233,312 1,313 917,314 2.646,318 464.08,322 394.023,325 2.027,326 8.705,329 0.75,330 0.67,331 0.83,332 0.5,333 0.5,334 0.83,335 1,336 0.73,337 65,338 401,339 4.516,340 3.162,341 6.516,342 4.039,343 3.068,344 4.444,345 0.522,346 10.25,347 2.996,348 4.499,349 3.121,350 6.515,351 4.006,352 3.043,353 4.433,354 0.522,355 10.241,356 2.935,357 4.422,358 2.953,359 6.218,360 3.925,361 2.933,362 4.362,364 9.371,365 2.897,366 3.797,367 2.637,368 5.452,369 3.429,370 2.437,371 3.252,373 7.239,374 2.416,375 3.614,376 2.416,377 5.375,378 3.225,379 2.246,380 3.013,382 6.895,383 2.198,384 3.405,385 2.012,386 5.028,387 2.917,388 1.955,389 2.806,391 5.794,392 1.874,393 3.318,394 1.935,395 4.981,396 2.841,397 1.866,398 2.68,400 5.647,401 1.813,402 3.118,403 1.618,404 4.403,405 2.614,406 1.618,407 2.427,409 4.302,410 1.612,411 3.118,412 1.618,413 4.145,414 2.614,415 1.618,416 2.427,418 3.772,419 1.612,420 3.056,421 1.574,422 4.136,423 2.564,424 1.565,425 2.326,427 3.758,428 1.564,429 2.768,430 1.275,431 3.594,432 2.262,433 1.271,434 1.901,436 2.832,437 1.258,438 2.767,439 1.272,440 3.592,441 2.26,442 1.27,443 1.9,445 2.827,446 1.256,447 2.387,448 1.015,449 3.377,450 1.937,451 0.947,452 1.339,454 2.202,455 0.937,456 2.35,457 0.949,458 3.341,459 1.886,460 0.9,461 1.285,463 2.109,464 0.886,465 2.237,466 0.788,467 3.273,468 1.752,469 0.757,470 1.113,472 1.795,473 0.753,474 15.8,475 0.494,476 0.598,477 0.019,478 48,479 1.5,480 28,481 0.875,482 20,483 0.625,484 22.511,485 0.703,486 30.4,487 0.543,488 34.952,489 1.092,490 9.626,491 0.301,492 6.206,493 0.194,496 0.304,501 0.947,502 1.068,503 0.774,504 0.883,505 0.897,506 0.832,507 1.526,508 1.047,509 0.969,510 0.924,511 0.976,512 0.92,513 1.206,514 1.165,515 1.045,516 1.076,517 0.956,518 1.057,519 1.414,520 1.023,521 1.106,522 1.024,523 1.06,524 1.045,525 0.904,526 1.004,527 1.039,528 1.043,529 1.049,530 1.047,531 0.725,532 0.913,533 0.903,534 0.933,535 0.862,536 0.928,537 0.795,538 0.988,539 0.975,540 1.007,541 0.983,542 1.001,543 0.942,544 0.762,545 0.941,546 0.859,547 0.951,548 0.892,549 5,550 0.091,551 3.111,552 1.75,553 1.618,554 0.653,555 0.442,556 0.41,557 0.271,558 0.163,559 16555,560 33216,561 2.27,562 42.9,564 22,566 2,572 1.743,573 2.233,574 3.612,575 -0.929,582 65.966,583 1.178,584 2.459,585 3.476,586 4.53,587 4.772,588 4.772,589 3.007,590 3.813,591 4.976,592 3.788,593 1878.92,594 8.688,595 27687.2,600 325.212,601 0.896,602 4.972,603 0.135,604 0.003,605 0.06,606 0.032,607 0.035,608 0.016,609 0.011,610 0.01,611 0.007,612 0.005,613 0.315,614 0.5,615 0.75,617 168.875,618 0.116,619 -0.093,620 0.078,621 -0.005,622 -0.018,623 0.027,624 -0.13,625 -0.018,626 -0.07,627 -0.038,628 -0.115,629 -0.048,630 -0.036,631 -0.164,632 -0.103,633 -0.141,634 -0.051,635 -0.128,636 -0.171,637 -0.003,638 -0.115,639 -0.056,640 -0.094,641 -0.077,642 -0.04,643 -0.038,644 -0.049,645 -0.046,646 -0.068,647 -0.048,648 0.069,649 0.046,650 0.096,651 0.077,652 0.12,653 0.086,654 0.013,655 -0.032,656 -0.002,657 -0.018,658 -0.002,659 -0.012,660 0.03,661 0.224,662 0.056,663 0.136,664 0.034,665 0.105,666 0.639,667 0.335,668 0.938,669 32.313,670 0.981,671 1.099,672 5.37,673 28.834,674 0.721,675 3.638,676 3.97,677 4.29,678 4.595,679 4.875,680 4.913,681 5.069,682 5.273,683 5.442,684 5.489,685 7.48,686 0.676,687 412.56,688 3.638,689 5.187,690 6.057,691 6.942,692 7.822,693 8.71,694 9.593,695 10.482,696 11.365,697 12.254,698 3.6,708 2,714 6,715 20,720 2,721 2,722 33,741 56,743 33,744 4,745 37,747 61,748 30,749 28,750 8,751 14,756 6,757 9,772 28,773 2,793 24,796 2,802 2,803 2,808 0.5,822 2,829 6,833 3,859 3,868 32,876 2,901 14.333,902 10.167,903 6.889,904 3.479,907 6.703,908 1.757,909 1.09,910 4.803,911 15.559,912 3.998,913 4.696,914 5.383,915 6.047,916 6.684,917 6.986,918 7.445,919 7.961,920 8.454,921 8.691,922 1,923 54,924 11.795,926 5.063,927 0.026,929 7.385,931 23.386,933 19.983,936 1.885,937 60.333,941 282.506,942 213.83,943 3.798,948 213.83,949 282.506,950 3.798,952 4.211,953 170.572,954 27.34,955 39.046,957 258.964,959 282.506,960 217.628,964 282.506,968 26.595,969 187.235,970 3.798,972 282.506,973 3.798,974 213.83,977 282.506,978 25.163,979 192.465,982 282.506,983 3.798,984 213.83,986 0.58,987 0.347,988 0.2,989 0.112,990 28,991 10,992 0.066,993 4,994 3,995 1.2,996 4.489,997 308.429,998 0.2,999 30,1000 126,1005 19.007,1006 8.086,1007 3.747,1008 7.632,1010 43.701,1015 2.627,1016 4.651,1018 500.135,1019 53.5,1031 54.923,1032 61.564,1034 0.203,1035 0.423,1036 0.599,1037 0.78,1038 0.822,1039 0.822,1040 5.211,1041 1.618,1042 6.023,1043 5.647,1044 4.654,1045 5.384,1046 0.736,1047 6.834,1048 4.616,1049 6.44,1050 1.618,1051 7.571,1052 4.302,1053 4.111,1054 5.173,1056 7.695,1057 4.035,1058 7.757,1059 1.565,1060 9.219,1061 3.772,1062 6.24,1063 7.719,1064 0.259,1065 10.82,1066 6.158,1067 9.114,1068 1.271,1069 10.928,1070 3.758,1071 6.553,1072 8.38,1074 12.531,1075 6.427,1076 10.503,1077 1.27,1078 12.678,1079 2.832,1080 8.104,1081 10.342,1082 0.077,1083 15.142,1084 7.972,1085 11.916,1086 0.947,1087 14.455,1088 2.827,1089 8.834,1090 11.434,1092 17.202,1093 8.661,1094 13.349,1095 0.9,1096 16.251,1097 2.202,1098 10.133,1099 13.136,1100 0.022,1101 19.629,1102 9.948,1103 3.068,1104 0.757,1105 18.062,1106 2.109,1107 11.064,1108 14.438,1110 21.835,1111 10.842,1112 3.043,1113 10.25,1114 19.884,1115 1.795,1116 12.252,1117 16.022,1118 0.006,1119 24.193,1120 12.013,1121 2.933,1122 10.241,1123 21.715,1124 4.444,1125 13.279,1126 17.423,1128 26.461,1129 13.006,1130 2.437,1131 9.371,1132 23.552,1133 4.433,1134 14.419,1135 18.953,1136 0.002,1137 28.794,1138 14.126,1139 2.246,1140 7.239,1141 25.395,1142 4.362,1143 15.489,1144 20.399,1146 31.089,1147 15.165,1148 1.955,1149 6.895,1150 27.242,1151 3.252,1152 16.61,1153 21.905,1155 33.412,1156 16.262,1157 1.866,1158 5.794,1159 29.093,1160 3.013,1161 17.701,1162 23.373,1164 35.72,1165 17.324,1166 14745,1167 20992,1168 26.235,1169 40.387,1170 55.402,1171 55.65,1172 55.91,1173 55.335,1174 55.311,1175 79.837,1176 2.086,1177 158.91,1178 54.327,1179 5.29,1180 5.162,1181 6.205,1182 5.077,1183 5.068,1184 7.444,1185 1.043,1186 17.093,1187 4.996,1189 1.497,1190 1.504,1191 1.511,1192 1.496,1193 1.495,1194 2.158,1195 0.056,1196 4.295,1197 1.468,1198 4.173,1199 4.204,1200 4.126,1201 4.105,1202 4.973,1203 4.105,1204 4.091,1205 4.126,1206 4.047,1207 4.008,1208 4.91,1209 4.012,1210 4.026,1211 4.048,1212 3.982,1213 3.979,1214 4.842,1215 3.977,1216 3.609,1217 3.653,1218 3.522,1219 3.524,1220 4.394,1221 3.518,1222 3.495,1223 3.548,1224 3.395,1225 3.384,1226 4.352,1227 3.379,1228 3.42,1229 3.465,1230 3.318,1231 3.337,1232 4.26,1233 3.327,1234 3.22,1235 3.279,1236 3.106,1237 3.105,1238 3.954,1239 3.099,1240 3.081,1241 3.144,1242 2.972,1243 2.94,1244 3.874,1245 2.941,1246 0.122,1247 0.085,1248 0.176,1249 0.109,1250 0.083,1251 4.516,1252 0.12,1253 3.162,1254 0.014,1255 6.516,1256 0.277,1257 4.039,1258 0.081,1259 3.068,1260 4.444,1261 0.522,1262 10.25,1263 2.996,1264 2.118,1265 2.094,1266 2.2,1267 2.206,1268 1.373,1269 2.206,1270 2.069,1271 2.04,1272 2.155,1273 2.175,1274 1.301,1275 2.171,1276 2.026,1277 2.003,1278 2.11,1279 2.089,1280 1.241,1281 2.098,1282 1.612,1283 1.573,1284 1.774,1285 1.731,1286 0.956,1287 1.749,1288 1.491,1289 1.443,1290 1.674,1291 1.636,1292 0.772,1293 1.652,1294 1.435,1295 1.393,1296 1.62,1297 1.55,1298 0.662,1299 1.577,1300 1.225,1301 1.17,1302 1.451,1303 1.383,1304 0.602,1305 1.41,1306 1.07,1307 1.009,1308 1.301,1309 1.25,1310 0.403,1311 1.271,1312 4.317,1314 5.645,1316 7.188,1318 8.826,1320 10.511,1328 1.721,1340 37.838,1341 65.966,1342 137.715,1343 194.643,1344 253.702,1345 267.212,1346 267.212,1347 32.442,1348 8.856,1349 7.76,1350 7.76,1351 36,1352 12.785,1353 5.087,1354 4.129,1355 41.497,1356 145,1357 122,1358 0.137,1359 226.785,1360 373.04,1361 545.116,1362 109899,1364 21.33,1365 0.667,1366 0.561,1367 21.33,1368 17.961,1369 15.832,1370 0.428,1371 0.305,1372 11.223,1373 15.639,1374 10.964,1375 9.097,1376 15.832,1377 11.283,1378 14.148,1379 0.272,1380 0.166,1381 14.148,1382 8.646,1383 12.549,1384 0.174,1385 0.091,1386 12.549,1387 6.518,1388 11.102,1389 0.113,1390 0.05,1391 11.102,1392 4.899,1393 9.634,1394 0.074,1395 0.028,1396 9.634,1397 3.6,1398 0.218,1399 96.14,1400 0.195,1401 30.053,1402 0.367,1403 178,1404 352.666,1405 182.829,1406 366.007,1407 532.72,1408 348,1409 213,1410 417.07,1411 219.328,1412 433.873,1413 635.16,1414 412,1415 5.362}
{0 CHEMBL176308,1 1.445,2 26.538,3 8.074,4 65.196,5 212.003,6 6.251,7 0.226,8 4.782,9 4.927,10 4.168,11 4.236,12 5.782,13 4.175,14 5.378,15 5.605,16 4.434,17 4.619,18 6.376,19 4.517,20 5.67,21 5.934,22 4.528,23 4.8,24 6.523,25 4.667,26 5.808,27 6.078,28 4.536,29 4.852,30 6.721,31 4.707,32 5.856,33 6.143,34 4.49,35 4.862,36 6.731,37 4.696,38 5.81,39 6.094,40 4.441,41 4.861,42 6.605,43 4.686,44 5.852,45 6.142,46 4.372,47 4.838,48 6.719,49 4.648,50 5.779,51 6.08,52 4.266,53 4.728,54 6.603,55 4.534,56 0.268,57 1.611,58 28.194,59 10.94,60 18.942,61 16.02,62 0.678,63 2.474,64 51.043,65 17.149,66 93.123,67 26.296,68 0.541,69 3.005,70 67.271,71 22.414,72 73.949,73 34.469,74 0.895,75 3.207,76 78.073,77 24.563,78 132.171,79 37.644,80 1.179,81 3.233,82 81.605,83 25.58,84 156.117,85 39.369,86 0.759,87 3.203,88 76.937,89 25.567,90 103.981,91 39.142,92 1.113,93 3.143,94 80.939,95 26.089,96 156.388,97 39.569,98 0.889,99 2.843,100 74.783,101 23.649,102 142.854,103 36.383,104 117,105 66,106 0.206,107 0.41,108 0.612,109 0.715,110 0.753,111 0.753,112 3.972,113 1.1,114 -6.83,115 -6.64,116 -6.15,121 34.5,122 2,123 14,126 2,127 8,144 8,145 2,146 2,160 2,168 4,176 19,179 4,180 16,187 16,192 22,200 9,205 2,206 24,214 10,218 4,219 16,227 13,232 8,239 20,243 4,244 14,251 22,256 8,264 16,268 1,269 18,277 14,281 8488,282 34.744,283 34.744,284 34.744,285 34.744,286 34.744,287 32.372,288 40.892,289 21.537,290 35.308,291 25.996,292 25.996,293 25.996,294 25.996,295 25.996,296 22.41,297 45.258,298 10.058,299 26.742,300 5.413,301 3.981,302 2.565,303 1.845,304 1.578,305 1.578,306 4.644,313 2806,314 6.928,318 499.28,325 4.497,326 58.009,329 0.25,330 0.33,331 0.33,332 0.7,333 1,334 0.33,335 0.5,336 0.49,337 113,338 1380,339 4.389,340 3.807,341 6.416,342 3.955,343 2.979,344 4.095,345 2.612,346 9.81,347 2.906,348 4.389,349 3.807,350 6.416,351 3.955,352 2.979,353 4.095,354 2.612,355 9.81,356 2.906,357 3.897,358 3.7,359 5.872,360 3.68,361 2.711,362 3.063,363 1.94,364 7.931,365 2.621,366 3.897,367 3.7,368 5.872,369 3.679,370 2.71,371 3.063,372 1.94,373 7.931,374 2.62,375 3.625,376 2.988,377 5.365,378 3.361,379 2.434,380 2.99,381 0.916,382 6.914,383 2.256,384 3.625,385 2.988,386 5.365,387 3.361,388 2.434,389 2.99,390 0.916,391 6.914,392 2.256,393 3.349,394 2.494,395 4.778,396 2.908,397 1.914,398 2.437,399 0.555,400 4.975,401 1.903,402 3.349,403 2.494,404 4.778,405 2.887,406 1.904,407 2.437,408 0.555,409 4.975,410 1.868,411 2.934,412 2.233,413 4.152,414 2.878,415 1.89,416 1.991,417 0.172,418 4.042,419 1.861,420 2.867,421 2.219,422 4.133,423 2.749,424 1.762,425 1.99,426 0.172,427 3.94,428 1.733,429 2.86,430 1.794,431 3.819,432 2.671,433 1.686,434 1.928,436 3.537,437 1.657,438 2.801,439 1.712,440 3.736,441 2.532,442 1.53,443 1.8,445 3.217,446 1.53,447 2.681,448 1.71,449 3.729,450 2.432,451 1.436,452 1.682,454 3.156,455 1.428,456 2.609,457 1.536,458 3.638,459 2.409,460 1.414,461 1.596,463 3.062,464 1.406,465 2.607,466 1.536,467 3.578,468 2.314,469 1.317,470 1.595,472 2.896,473 1.305,474 24.4,475 0.469,476 1.021,477 0.02,478 52.5,479 1.01,480 21,481 0.404,482 31.5,483 0.606,484 65.983,485 1.269,486 62.6,487 0.54,488 45.387,489 0.873,490 9.558,491 0.184,492 15.507,493 0.298,494 0.164,496 0.221,501 0.44,502 1.605,503 0.96,504 1.394,505 0.468,506 1.277,507 0.64,508 1.214,509 1.011,510 1.142,511 0.382,512 1.117,513 0.748,514 1.156,515 0.938,516 1.106,517 0.584,518 1.049,519 1.054,520 1.065,521 1.045,522 1.07,523 1.001,524 1.056,525 0.987,526 0.929,527 0.982,528 0.933,529 1.019,530 0.957,531 0.81,532 1.035,533 0.998,534 1.066,535 0.746,536 1.057,537 0.987,538 0.929,539 1.05,540 1.013,541 1.041,542 1.042,543 0.989,544 0.968,545 0.957,546 0.967,547 1.07,548 0.967,549 8.5,550 0.273,551 5.111,552 3.125,553 2.044,554 1.431,555 0.854,556 0.549,557 0.436,558 0.291,559 72857,560 183825,561 1.922,562 55.2,563 16,564 30,568 4,569 14,572 1.85,573 1.793,574 4.601,575 -0.766,582 167.629,583 1.445,584 2.877,585 4.293,586 5.013,587 5.28,588 5.28,589 3.95,590 4.547,591 5.677,592 4.929,593 6536.4,594 10.037,595 178818,600 795.526,601 1.403,602 5.624,603 0.16,604 0.005,605 0.077,606 0.044,607 0.03,608 0.022,609 0.014,610 0.01,611 0.009,612 0.006,613 0.378,614 0.17,615 0.5,616 0.852,617 338.687,618 0.219,619 -0.181,620 0.05,621 -0.081,622 0.042,623 -0.057,624 0.125,625 -0.003,626 -0.014,627 -0.032,628 0.189,629 -0.037,630 -0.01,631 -0.077,632 0.03,633 -0.052,634 0.045,635 -0.008,636 -0.067,637 -0.049,638 -0.05,639 -0.068,640 -0.033,641 -0.057,642 -0.014,643 0.031,644 0.001,645 0.041,646 -0.044,647 0.023,648 -0.044,649 -0.036,650 -0.041,651 -0.052,652 -0.032,653 -0.044,654 -0.039,655 0.017,656 -0.076,657 -0.035,658 -0.062,659 -0.06,660 -0.055,661 -0.066,662 0.007,663 -0.007,664 -0.08,665 0.005,666 2.32,667 5.59,668 0.231,669 112.556,670 0.993,671 1.14,672 5.597,673 31.322,674 0.611,675 3.989,676 4.205,677 4.357,678 4.443,679 4.522,680 4.466,681 4.407,682 4.317,683 4.304,684 4.29,685 16.128,686 0.566,687 725.1,688 3.989,689 5.476,690 6.263,691 7.076,692 7.88,693 8.698,694 9.51,695 10.331,696 11.146,697 11.971,698 5.2,701 2,705 2,709 2,715 8,720 4,722 12,735 2,741 116,743 18,744 2,745 53,747 117,748 40,749 12,750 4,751 8,756 2,757 2,763 2,770 14,772 14,773 26,777 6,779 2,782 6,786 2,793 64,794 10,796 12,802 6,808 1,809 6,829 2,844 2,855 2,859 2,864 4,868 52,876 22,881 4,893 5.2,896 2,899 4,901 29,902 21.367,903 12.25,904 7.992,907 1.919,908 1.25,909 0.903,910 22.926,911 9.612,912 4.19,913 4.605,914 4.952,915 5.312,916 5.66,917 5.642,918 5.751,919 5.567,920 5.552,921 5.673,922 0.941,923 71,924 19.42,926 7.795,927 0.026,929 7.827,931 37.606,933 29.54,936 2.327,937 121,941 753.351,942 183.876,943 23.837,945 151.784,948 183.876,949 905.134,950 23.837,951 45.783,952 58.578,953 75.81,954 59.699,955 18.133,957 753.351,958 101.494,959 753.351,960 207.714,961 151.784,964 588.555,965 215.085,966 101.494,968 82.477,969 113.897,970 11.34,972 753.351,973 175.621,974 183.876,977 753.351,978 73.623,979 134.09,981 151.784,982 753.351,983 175.621,984 183.876,986 0.555,987 0.316,988 0.155,989 0.078,990 18,991 12,992 0.248,993 29,995 1,996 6.256,997 452.18,999 12,1000 240.423,1005 44.938,1006 26.529,1007 18.404,1009 164.281,1010 13.826,1015 1.807,1018 1112.85,1019 65,1021 -0.64,1024 70.438,1028 0.387,1031 115.199,1032 132.287,1034 0.211,1035 0.42,1036 0.626,1037 0.731,1038 0.77,1039 0.77,1040 5.389,1041 1.904,1042 6.196,1043 4.975,1044 4.89,1045 5.293,1046 3.683,1047 6.893,1048 4.836,1049 6.517,1050 1.89,1051 7.695,1052 4.975,1053 4.29,1054 5.017,1055 3.387,1056 7.65,1057 4.175,1058 7.772,1059 1.762,1060 9.301,1061 4.042,1062 6.372,1063 7.286,1064 5.107,1065 10.694,1066 6.25,1067 9.063,1068 1.686,1069 10.974,1070 3.94,1071 6.635,1072 7.9,1073 5.416,1074 12.332,1075 6.452,1076 10.394,1077 1.53,1078 12.691,1079 3.537,1080 8.134,1081 9.656,1082 6.79,1083 14.874,1084 7.946,1085 11.75,1086 1.436,1087 14.438,1088 3.217,1089 8.809,1090 10.674,1091 7.373,1092 16.868,1093 8.571,1094 13.128,1095 1.414,1096 16.207,1097 3.156,1098 10.063,1099 12.24,1100 8.573,1101 19.236,1102 9.814,1103 2.979,1104 1.317,1105 17.991,1106 3.062,1107 10.94,1108 13.449,1109 9.31,1110 21.384,1111 10.653,1112 2.979,1113 9.81,1114 19.788,1115 2.896,1116 12.086,1117 14.935,1118 10.411,1119 23.691,1120 11.785,1121 2.711,1122 9.81,1123 21.593,1124 4.095,1125 13.062,1126 16.24,1127 11.24,1128 25.908,1129 12.73,1130 2.71,1131 7.931,1132 23.405,1133 4.095,1134 14.162,1135 17.688,1136 12.284,1137 28.193,1138 13.813,1139 2.434,1140 7.931,1141 25.224,1142 3.063,1143 15.187,1144 19.042,1145 13.166,1146 30.442,1147 14.811,1148 2.434,1149 6.914,1150 27.047,1151 3.063,1152 16.27,1153 20.471,1154 14.176,1155 32.722,1156 15.875,1157 1.914,1158 6.914,1159 28.874,1160 2.99,1161 17.319,1162 21.851,1163 15.091,1164 34.987,1165 16.9,1166 72330,1167 115384,1168 33.978,1169 70.842,1170 74.417,1171 77.909,1172 78.028,1173 74.394,1174 74.324,1175 89.915,1176 24.788,1177 191.633,1178 72.51,1179 5.382,1180 5.807,1181 6.307,1182 4.98,1183 4.979,1184 7.095,1185 4.612,1186 16.359,1187 4.906,1188 35.123,1189 1.404,1190 1.47,1191 1.472,1192 1.404,1193 1.402,1194 1.697,1195 0.468,1196 3.616,1197 1.368,1198 4.041,1199 4.078,1200 3.99,1201 3.913,1202 7.818,1203 3.92,1204 3.991,1205 4.02,1206 3.951,1207 3.871,1208 7.812,1209 3.878,1210 3.863,1211 3.92,1212 3.745,1213 3.713,1214 7.429,1215 3.707,1216 3.797,1217 3.856,1218 3.684,1219 3.636,1220 7.425,1221 3.634,1222 3.748,1223 3.815,1224 3.598,1225 3.612,1226 6.999,1227 3.596,1228 3.694,1229 3.766,1230 3.569,1231 3.503,1232 6.999,1233 3.504,1234 3.636,1235 3.702,1236 3.513,1237 3.434,1238 4.716,1239 3.441,1240 3.552,1241 3.628,1242 3.438,1243 3.379,1244 4.689,1245 3.368,1246 0.083,1247 0.072,1248 0.121,1249 0.075,1250 0.056,1251 4.389,1252 0.077,1253 3.807,1254 0.049,1255 6.416,1256 0.185,1257 3.955,1258 0.055,1259 2.979,1260 4.095,1261 2.612,1262 9.81,1263 2.906,1264 1.942,1265 1.913,1266 2.062,1267 2.102,1268 1.411,1269 2.076,1270 1.942,1271 1.913,1272 2.059,1273 2.102,1274 1.364,1275 2.076,1276 1.818,1277 1.758,1278 2.05,1279 1.998,1280 1.36,1281 2.016,1282 1.778,1283 1.72,1284 1.997,1285 1.969,1286 1.233,1287 1.977,1288 1.755,1289 1.694,1290 1.988,1291 1.933,1292 1.205,1293 1.953,1294 1.664,1295 1.594,1296 1.908,1297 1.887,1298 1.197,1299 1.893,1300 1.597,1301 1.528,1302 1.85,1303 1.828,1304 1.049,1305 1.835,1306 1.553,1307 1.478,1308 1.835,1309 1.765,1310 1.039,1311 1.792,1312 4.673,1314 5.916,1316 7.332,1318 8.832,1320 10.38,1322 7.915,1328 19.127,1333 8.139,1340 65.694,1341 167.629,1342 333.785,1343 497.938,1344 581.487,1345 612.506,1346 612.506,1347 277.778,1348 7.692,1349 138.74,1350 138.74,1351 12,1352 12.55,1353 4.248,1354 3.7,1355 174.722,1356 522,1357 360,1358 0.152,1359 415.147,1360 746.38,1361 1004.72,1362 35692,1364 38.141,1365 0.733,1366 0.621,1367 38.141,1368 32.308,1369 25.065,1370 0.473,1371 0.367,1372 19.196,1373 23.996,1374 18.663,1375 15.685,1376 25.065,1377 19.44,1378 20.809,1379 0.315,1380 0.21,1381 20.809,1382 13.882,1383 16.131,1384 0.209,1385 0.128,1386 16.131,1387 9.877,1388 11.577,1389 0.138,1390 0.077,1391 11.577,1392 6.438,1393 8.439,1394 0.093,1395 0.047,1396 8.439,1397 4.292,1398 0.265,1399 157.886,1400 0.172,1401 47.255,1402 0.36,1403 238,1404 718.284,1405 263.108,1406 681.308,1407 880.14,1408 626,1409 262,1410 615.157,1411 287.616,1412 611.176,1413 865.58,1414 568,1415 6.1}
{0 CHEMBL176521,1 1.265,2 26.143,3 6.996,4 48.941,5 234.21,6 5.581,7 0.211,8 4.951,9 5.105,10 4.24,11 4.4,12 5.816,13 4.318,14 5.575,15 5.818,16 4.533,17 4.798,18 6.313,19 4.677,20 5.887,21 6.152,22 4.659,23 5.041,24 6.607,25 4.884,26 6.081,27 6.364,28 4.686,29 5.157,30 6.813,31 4.968,32 6.155,33 6.449,34 4.663,35 5.196,36 6.866,37 4.991,38 6.173,39 6.478,40 4.604,41 5.193,42 6.823,43 4.974,44 6.143,45 6.452,46 4.484,47 5.153,48 6.771,49 4.908,50 6.103,51 6.436,52 4.44,53 5.047,54 6.707,55 4.8,56 0.179,57 1.869,58 35.761,59 13.738,60 22.508,61 20.308,62 0.643,63 2.953,64 62.498,65 21.277,66 43.128,67 32.633,68 0.683,69 3.78,70 82.272,71 29.169,72 59.768,73 44.074,74 0.939,75 4.262,76 97.065,77 35.088,78 97.214,79 52.259,80 0.919,81 4.471,82 102.93,83 37.121,84 106.588,85 55.443,86 0.935,87 4.466,88 103.357,89 37.578,90 93.643,91 56.081,92 0.958,93 4.292,94 99.045,95 37.503,96 87.844,97 55.308,98 0.71,99 3.961,100 92.935,101 33.97,102 80.488,103 51.175,104 181,105 74,106 0.175,107 0.379,108 0.628,109 0.72,110 0.743,111 0.743,112 4.045,113 1.192,114 0.51,115 0.33,116 0.09,121 34.3,122 6,123 14,126 4,127 8,129 2,144 8,145 2,146 2,160 2,176 19,179 2,180 14,187 18,189 6,192 10,200 9,203 4,206 14,208 2,214 18,216 6,219 8,227 21,229 4,232 8,239 28,244 6,246 4,251 30,256 4,264 20,268 1,269 12,277 18,279 6,281 9968,282 37.175,283 37.175,284 37.175,285 37.175,286 37.175,287 35.412,288 47.449,289 22.422,290 38.059,291 27.75,292 27.75,293 27.75,294 27.75,295 27.75,296 24.982,297 58.099,298 10.183,299 28.897,300 5.865,301 4.396,302 2.597,303 1.933,304 1.768,305 1.768,306 4.714,312 1,313 2970,314 7.483,318 543.863,325 4.286,326 38.491,329 0.75,330 0.67,331 0.67,332 0.8,333 1,334 0.67,335 0.5,336 0.72,337 118,338 1464,339 4.359,340 3.743,341 6.992,342 4.209,343 3.292,344 3.825,345 1.94,346 11.856,347 3.025,348 4.359,349 3.743,350 6.992,351 4.209,352 3.292,353 3.825,354 1.94,355 11.856,356 3.025,357 4.056,358 3.677,359 6.331,360 3.865,361 2.91,362 3.208,363 1.26,364 9.379,365 2.774,366 4.056,367 3.677,368 6.331,369 3.864,370 2.909,371 3.208,372 1.26,373 9.379,374 2.773,375 4.032,376 3.045,377 6.09,378 3.712,379 2.754,380 3.171,381 0.86,382 8.83,383 2.631,384 4.032,385 3.045,386 6.09,387 3.712,388 2.754,389 3.171,390 0.86,391 8.83,392 2.631,393 3.106,394 2.599,395 4.706,396 2.967,397 1.96,398 2.117,399 0.555,400 4.806,401 1.965,402 3.101,403 2.598,404 4.706,405 2.959,406 1.953,407 2.112,408 0.555,409 4.805,410 1.955,411 2.917,412 1.989,413 4.403,414 2.864,415 1.867,416 2.09,417 0.245,418 4.143,419 1.86,420 2.917,421 1.989,422 4.403,423 2.595,424 1.603,425 2.09,426 0.245,427 4.143,428 1.589,429 2.869,430 1.881,431 3.941,432 2.588,433 1.595,434 1.996,436 3.794,437 1.583,438 2.866,439 1.716,440 3.855,441 2.545,442 1.56,443 1.996,445 3.358,446 1.54,447 2.865,448 1.716,449 3.833,450 2.493,451 1.537,452 1.869,454 3.298,455 1.457,456 2.63,457 1.617,458 3.757,459 2.491,460 1.525,461 1.621,463 3.2,464 1.456,465 2.628,466 1.516,467 3.64,468 2.431,469 1.434,470 1.618,472 3.028,473 1.427,474 26.933,475 0.481,476 1.273,477 0.023,478 49.5,479 0.884,480 16,481 0.286,482 33.5,483 0.598,484 88.137,485 1.574,486 69.067,487 0.493,488 41.002,489 0.732,490 8.685,491 0.155,492 18.128,493 0.324,494 0.21,495 0.03,496 0.178,501 0.841,502 1.741,503 1.141,504 1.502,505 0.649,506 1.368,507 1.201,508 1.159,509 1.106,510 1.05,511 0.614,512 1.053,513 1.102,514 1.124,515 1.109,516 1.1,517 0.934,518 1.093,519 1.103,520 1.082,521 1.071,522 1.079,523 1.255,524 1.075,525 1.146,526 1.043,527 1.068,528 1.045,529 1.528,530 1.05,531 1.095,532 0.965,533 1.049,534 0.993,535 0.958,536 1.014,537 0.822,538 1.006,539 1.047,540 1.069,541 0.946,542 1.083,543 0.659,544 0.971,545 0.829,546 0.947,547 0.813,548 0.912,549 11.5,550 0.372,551 6.444,552 4.125,553 2.924,554 1.667,555 1.016,556 0.736,557 0.535,558 0.491,559 81693,560 146089,561 1.9,562 60,563 16,564 38,568 4,569 26,572 1.87,573 1.759,574 4.553,575 -0.853,582 177.067,583 1.265,584 2.734,585 4.532,586 5.197,587 5.361,588 5.361,589 3.896,590 4.736,591 5.782,592 4.885,593 7523.39,594 10.27,595 206469,600 998.1,601 1.553,602 5.714,603 0.202,604 0.006,605 0.087,606 0.051,607 0.037,608 0.022,609 0.014,610 0.012,611 0.009,612 0.008,613 0.447,614 0.5,615 0.75,616 0.925,617 367.315,618 0.063,619 -0.306,620 0.049,621 -0.149,622 0.003,623 -0.068,624 -0.005,625 0.053,626 0.015,627 0.042,628 0.062,629 0.033,630 -0.065,631 0.008,632 -0.046,633 -0.035,634 -0.015,635 -0.034,636 -0.013,637 -0.046,638 -0.046,639 -0.048,640 -0.02,641 -0.051,642 -0.075,643 -0.039,644 -0.06,645 -0.038,646 -0.105,647 -0.047,648 -0.085,649 0.017,650 -0.06,651 -0.005,652 -0.055,653 -0.026,654 0.012,655 -0.037,656 -0.085,657 -0.07,658 -0.066,659 -0.087,660 0.062,661 -0.06,662 0.093,664 0.04,665 0.042,666 1.358,667 6.195,668 0.214,669 119,670 0.979,671 1.139,672 -1.742,673 3.034,674 0.602,675 4.06,676 4.317,677 4.477,678 4.575,679 4.625,680 4.554,681 4.477,682 4.466,683 4.431,684 4.466,685 15.55,686 0.543,687 781.36,688 4.06,689 5.572,690 6.372,691 7.212,692 8.028,693 8.872,694 9.695,695 10.541,696 11.367,697 12.215,698 2.9,705 2,712 2,715 8,720 4,722 12,739 2,741 140,743 14,744 2,745 57,747 141,748 48,749 12,750 4,751 8,756 2,757 2,763 6,770 16,772 14,773 34,777 2,782 2,786 2,793 84,794 6,796 8,802 4,803 2,807 2,808 1,809 4,829 2,844 2,859 2,864 10,868 56,876 22,878 2,880 2,881 2,883 2,893 2.9,896 2,898 2,901 31.833,902 27.4,903 13.167,904 9.892,907 1.411,908 1.182,909 0.884,910 24.217,911 9.18,912 4.19,913 4.585,914 4.924,915 5.251,916 5.559,917 5.437,918 5.463,919 5.527,920 5.439,921 5.412,922 0.941,923 81,924 20.939,926 8.215,927 0.026,929 7.458,931 41.943,933 33.324,936 1.958,937 109.667,941 988.773,942 245.916,943 6.249,945 72.29,948 245.916,949 1061.06,950 6.249,951 91.51,952 58.578,953 75.81,954 59.699,955 38.858,957 988.773,959 988.773,960 252.165,961 72.29,964 682.724,965 378.338,968 111.529,969 140.636,972 988.773,973 78.538,974 245.916,977 988.773,978 78.596,979 173.569,981 72.29,982 988.773,983 78.538,984 245.916,986 0.562,987 0.328,988 0.162,989 0.078,990 22,991 14,992 0.22,993 31,995 1,996 6.319,997 519.394,999 12,1000 265.212,1005 49.704,1006 27.285,1007 18.797,1009 78.538,1010 16.683,1015 4.457,1018 1313.23,1019 65,1024 26.39,1028 0.617,1031 137.06,1032 159.439,1034 0.177,1035 0.383,1036 0.636,1037 0.729,1038 0.752,1039 0.752,1040 5.425,1041 1.953,1042 6.361,1043 4.806,1044 5.004,1045 5.273,1046 3.103,1047 7.152,1048 4.923,1049 6.569,1050 1.867,1051 7.925,1052 4.805,1053 4.691,1054 5.017,1055 2.54,1056 8.393,1057 4.501,1058 7.85,1059 1.603,1060 9.61,1061 4.143,1062 6.635,1063 7.215,1064 3.822,1065 11.335,1066 6.434,1067 9.168,1068 1.595,1069 11.371,1070 4.143,1071 7.186,1072 7.768,1073 3.926,1074 13.386,1075 6.851,1076 10.523,1077 1.56,1078 13.18,1079 3.794,1080 8.611,1081 9.493,1082 4.894,1083 15.942,1084 8.255,1085 11.902,1086 1.537,1087 15.022,1088 3.358,1089 9.521,1090 10.394,1091 5.279,1092 18.25,1093 9.038,1094 13.298,1095 1.525,1096 16.884,1097 3.298,1098 10.767,1099 11.937,1100 6.104,1101 20.716,1102 10.242,1103 3.292,1104 1.434,1105 18.761,1106 3.2,1107 11.824,1108 13.01,1109 6.625,1110 23.115,1111 11.186,1112 3.292,1113 11.856,1114 20.647,1115 3.028,1116 13.01,1117 14.466,1118 7.376,1119 25.565,1120 12.312,1121 2.91,1122 11.856,1123 22.542,1124 3.825,1125 14.128,1126 15.634,1127 7.965,1128 28,1129 13.328,1130 2.909,1131 9.379,1132 24.442,1133 3.825,1134 15.297,1135 17.043,1136 8.675,1137 30.454,1138 14.424,1139 2.754,1140 9.379,1141 26.347,1142 3.208,1143 16.443,1144 18.27,1145 9.299,1146 32.906,1147 15.474,1148 2.754,1149 8.83,1150 28.256,1151 3.208,1152 17.609,1153 19.651,1154 9.987,1155 35.366,1156 16.56,1157 1.96,1158 8.83,1159 30.169,1160 3.171,1161 18.77,1162 20.917,1163 10.63,1164 37.826,1165 17.627,1166 81360,1167 108996,1168 35.939,1169 84.297,1170 80.749,1171 82.547,1172 86.352,1173 80.385,1174 80.306,1175 91.046,1176 19.443,1177 218.336,1178 77.389,1179 5.352,1180 5.743,1181 6.879,1182 5.234,1183 5.292,1184 6.825,1185 3.348,1186 18.533,1187 5.025,1188 39.607,1189 1.417,1190 1.448,1191 1.515,1192 1.41,1193 1.409,1194 1.597,1195 0.341,1196 3.83,1197 1.358,1198 4.04,1199 4.095,1200 3.948,1201 3.915,1202 7.429,1203 3.917,1204 3.963,1205 4.012,1206 3.888,1207 3.859,1208 7.425,1209 3.86,1210 3.872,1211 3.926,1212 3.767,1213 3.734,1214 4.879,1215 3.73,1216 3.826,1217 3.879,1218 3.722,1219 3.668,1220 4.847,1221 3.669,1222 3.784,1223 3.84,1224 3.663,1225 3.637,1226 4.411,1227 3.629,1228 3.769,1229 3.828,1230 3.656,1231 3.588,1232 4.397,1233 3.594,1234 3.692,1235 3.756,1236 3.54,1237 3.53,1238 4.359,1239 3.528,1240 3.6,1241 3.673,1242 3.427,1243 3.443,1244 4.319,1245 3.431,1246 0.076,1247 0.066,1248 0.123,1249 0.074,1250 0.058,1251 4.359,1252 0.067,1253 3.743,1254 0.034,1255 6.992,1256 0.208,1257 4.209,1258 0.053,1259 3.292,1260 3.825,1261 1.94,1262 11.856,1263 3.025,1264 1.94,1265 1.905,1266 2.096,1267 2.103,1268 1.436,1269 2.104,1270 1.94,1271 1.905,1272 2.095,1273 2.102,1274 1.434,1275 2.104,1276 1.832,1277 1.774,1278 2.058,1279 2.01,1280 1.413,1281 2.026,1282 1.804,1283 1.748,1284 2.001,1285 1.982,1286 1.286,1287 1.988,1288 1.78,1289 1.719,1290 1.985,1291 1.933,1292 1.262,1293 1.951,1294 1.74,1295 1.674,1296 1.955,1297 1.923,1298 1.23,1299 1.935,1300 1.684,1301 1.619,1302 1.922,1303 1.875,1304 1.14,1305 1.896,1306 1.612,1307 1.539,1308 1.88,1309 1.803,1310 1.073,1311 1.835,1312 4.745,1314 6.019,1316 7.476,1318 9.018,1320 10.605,1322 21.273,1328 22.416,1330 11.194,1332 0.478,1333 4.202,1335 1.958,1340 76.017,1341 177.067,1342 382.728,1343 634.473,1344 727.531,1345 750.551,1346 750.551,1347 275.69,1348 7.77,1349 59.08,1350 59.08,1351 12,1352 12.779,1353 3.907,1354 3.17,1355 197.467,1356 540,1357 416,1358 0.168,1359 479.086,1360 853.12,1361 1160.73,1362 36467,1364 41.401,1365 0.739,1366 0.676,1367 41.401,1368 37.857,1369 26.813,1370 0.47,1371 0.397,1372 22.374,1373 25.877,1374 21.475,1375 18.237,1376 26.813,1377 22.643,1378 22.83,1379 0.309,1380 0.242,1381 22.83,1382 17.91,1383 17.778,1384 0.204,1385 0.145,1386 17.778,1387 12.604,1388 13.129,1389 0.137,1390 0.087,1391 13.129,1392 8.308,1393 9.1,1394 0.09,1395 0.055,1396 9.1,1397 5.51,1398 0.287,1399 166.898,1400 0.167,1401 49.396,1402 0.405,1403 262,1404 568.898,1405 282.566,1406 543.481,1407 732.18,1408 510,1409 292,1410 522.645,1411 314.623,1412 532.768,1413 759.64,1414 496,1415 8.09}
{0 CHEMBL176585,1 1.256,2 25.739,3 8.286,4 68.651,5 197.354,6 5.671,7 0.255,8 4.725,9 4.88,10 4.029,11 4.213,12 5.591,13 4.126,14 5.332,15 5.575,16 4.264,17 4.587,18 6.087,19 4.45,20 5.627,21 5.906,22 4.32,23 4.756,24 6.346,25 4.58,26 5.735,27 6.027,28 4.269,29 4.79,30 6.452,31 4.591,32 5.758,33 6.065,34 4.266,35 4.807,36 6.416,37 4.598,38 5.754,39 6.056,40 4.229,41 4.813,42 6.424,43 4.594,44 5.752,45 6.066,46 4.154,47 4.774,48 6.409,49 4.536,50 5.677,51 5.998,52 4.114,53 4.672,54 6.311,55 4.443,56 0.136,57 1.528,58 28.02,59 11.075,60 15.94,61 16.404,62 0.471,63 2.4,64 48.591,65 17.18,66 33.589,67 26.373,68 0.481,69 2.899,70 62.263,71 22.555,72 51.583,73 34.064,74 0.608,75 3.052,76 68.377,77 24.305,78 69.09,79 36.628,80 0.548,81 3.097,82 68.67,83 25.239,84 59.364,85 37.915,86 0.526,87 3.09,88 68.373,89 25.721,90 61.106,91 38.296,92 0.663,93 2.995,94 67.512,95 25.755,96 66.332,97 37.976,98 0.444,99 2.747,100 62.096,101 23.121,102 49.959,103 34.628,104 41,105 56,106 0.181,107 0.38,108 0.589,109 0.695,110 0.737,111 0.737,112 3.852,113 1.176,114 -6.51,115 -6.34,116 -5.88,121 35.7,122 2,123 14,126 2,127 8,144 10,145 2,160 2,176 23,179 2,180 12,187 20,192 12,200 11,206 14,214 10,219 12,227 17,232 4,239 22,243 4,244 4,251 24,256 2,264 18,268 1,269 12,277 14,281 6296,282 31.329,283 31.329,284 31.329,285 31.329,286 31.329,287 29.567,288 34.649,289 19.896,290 31.787,291 23.106,292 23.106,293 23.106,294 23.106,295 23.106,296 20.479,297 38.947,298 9.412,299 23.701,300 5.552,301 4.18,302 2.735,303 1.996,304 1.706,305 1.706,306 4.528,313 2420,314 6.403,318 444.547,325 4.272,326 27.666,329 0.5,330 0.5,331 0.5,332 0.8,333 1,334 0.5,335 0.5,336 0.61,337 96,338 1184,339 3.934,340 3.7,341 5.872,342 3.68,343 2.711,344 3.456,345 1.94,346 7.931,347 2.621,348 3.934,349 3.7,350 5.872,351 3.679,352 2.71,353 3.456,354 1.94,355 7.931,356 2.62,357 3.897,358 2.987,359 5.567,360 3.622,361 2.658,362 3.063,363 0.916,364 7.636,365 2.574,366 3.897,367 2.987,368 5.567,369 3.622,370 2.658,371 3.063,372 0.916,373 7.636,374 2.574,375 3.38,376 2.424,377 5.018,378 3.187,379 2.231,380 2.443,381 0.555,382 6.007,383 2.121,384 3.38,385 2.424,386 5.018,387 3.187,388 2.231,389 2.443,390 0.555,391 6.007,392 2.121,393 2.934,394 2.233,395 4.152,396 2.901,397 1.901,398 1.991,399 0.172,400 4.043,401 1.899,402 2.867,403 2.219,404 4.133,405 2.755,406 1.768,407 1.99,408 0.172,409 3.941,410 1.74,411 2.859,412 1.794,413 3.818,414 2.676,415 1.691,416 1.928,418 3.539,419 1.663,420 2.801,421 1.704,422 3.671,423 2.534,424 1.532,425 1.8,427 3.196,428 1.532,429 2.68,430 1.703,431 3.631,432 2.432,433 1.437,434 1.682,436 3.085,437 1.428,438 2.571,439 1.517,440 3.569,441 2.409,442 1.414,443 1.557,445 2.993,446 1.406,447 2.5,448 1.517,449 3.541,450 2.314,451 1.317,452 1.5,454 2.875,455 1.306,456 2.5,457 1.366,458 3.346,459 2.116,460 1.133,461 1.5,463 2.44,464 1.109,465 2.46,466 1.086,467 3.247,468 2,469 1,470 1.415,472 2.136,473 1,474 22.267,475 0.484,476 0.664,477 0.014,478 42,479 0.913,480 15,481 0.326,482 27,483 0.587,484 59.976,485 1.304,486 55.133,487 0.492,488 30.872,489 0.671,490 7.474,491 0.162,492 14.948,493 0.325,494 0.12,496 0.162,501 0.759,502 1.636,503 1.121,504 1.411,505 0.57,506 1.31,507 1.044,508 1.187,509 1.171,510 1.127,511 0.587,512 1.14,513 1.116,514 1.102,515 1.071,516 1.075,517 0.95,518 1.065,519 1.436,520 1.036,521 1.112,522 1.021,523 1.532,524 1.041,525 1.056,526 0.954,527 0.988,528 0.955,529 1.028,530 0.964,531 1.022,532 1.004,533 1.043,534 1.032,535 1.062,536 1.039,537 0.829,538 0.937,539 0.99,540 1.003,541 1.02,542 1.013,543 0.791,544 1.012,545 0.877,546 0.986,547 0.898,548 0.948,549 6.5,550 0.24,551 3.333,552 2,553 1.342,554 0.736,555 0.527,556 0.424,557 0.337,558 0.251,559 53595,560 97895,561 1.961,562 58.9,563 16,564 32,568 4,569 14,572 1.822,573 1.865,574 4.598,575 -0.865,582 140.617,583 1.256,584 2.627,585 4.072,586 4.811,587 5.102,588 5.102,589 4.002,590 4.35,591 5.496,592 4.848,593 5018.19,594 9.683,595 125134,600 762.424,601 1.186,602 5.469,603 0.138,604 0.005,605 0.06,606 0.035,607 0.026,608 0.014,609 0.011,610 0.009,611 0.008,612 0.006,613 0.311,614 0.33,615 0.63,616 0.7,617 290.375,618 0.061,619 -0.25,620 0.04,621 -0.105,622 0.021,623 -0.048,624 0.031,625 0.016,626 -0.074,627 -0.044,628 0.036,629 -0.062,630 -0.047,631 -0.042,632 -0.041,633 -0.051,634 0.006,635 -0.044,636 -0.123,637 -0.038,638 -0.088,639 -0.038,640 -0.115,641 -0.058,642 -0.052,643 0.023,644 -0.003,645 0.021,646 -0.04,647 0.015,648 -0.063,649 -0.022,650 -0.06,651 -0.037,652 -0.063,653 -0.046,654 0.088,655 0.01,656 -0.027,657 -0.026,658 -0.027,659 -0.037,660 0.065,661 -0.086,662 0.072,663 -0.023,664 0.009,665 0.018,666 1.379,667 5.542,668 0.261,669 98.026,670 0.977,671 1.136,672 5.282,673 27.904,674 0.612,675 3.871,676 4.043,677 4.159,678 4.205,679 4.277,680 4.143,681 4.127,682 4.143,683 4.094,684 4.007,685 14.975,686 0.552,687 635.1,688 3.871,689 5.333,690 6.098,691 6.882,692 7.66,693 8.447,694 9.228,695 10.017,696 10.799,697 11.589,698 3.6,701 2,705 2,715 10,720 2,722 12,741 112,743 14,744 2,745 47,747 113,748 40,749 12,750 2,751 10,756 2,757 2,763 2,770 14,772 14,773 26,777 2,782 2,786 2,793 66,794 6,796 6,802 4,808 1,809 2,829 2,844 2,855 2,859 2,864 4,868 46,876 22,881 4,893 1.8,896 2,901 24.667,902 20.467,903 10.972,904 7.856,907 1.271,908 1.173,909 0.913,910 22.237,911 8.609,912 4.025,913 4.357,914 4.659,915 4.929,916 5.272,917 4.946,918 5.016,919 5.14,920 5.021,921 4.821,922 0.941,923 57,924 17.187,926 6.69,927 0.026,929 7.449,931 34.545,933 27.175,936 1.949,937 89.667,941 776.893,942 197.315,943 12.497,945 50.29,948 197.315,949 827.183,950 12.497,951 34.443,952 58.578,953 94.762,954 59.699,955 12.62,957 776.893,959 776.893,960 209.812,961 50.29,964 612.097,965 215.085,968 82.477,969 127.336,972 776.893,973 62.787,974 197.315,977 776.893,978 68.11,979 141.703,981 50.29,982 776.893,983 62.787,984 197.315,986 0.543,987 0.304,988 0.146,989 0.075,990 14,991 8,992 0.239,993 27,995 1,996 5.99,997 372.074,999 12,1000 200.084,1005 39.814,1006 25.693,1007 19.16,1009 62.787,1010 21.332,1015 2.735,1018 1036.99,1019 55,1024 25.084,1028 0.575,1031 109.453,1032 127.283,1034 0.184,1035 0.386,1036 0.598,1037 0.707,1038 0.749,1039 0.749,1040 5.198,1041 1.768,1042 5.989,1043 4.043,1044 4.727,1045 5.043,1046 2.856,1047 6.603,1048 4.678,1049 6.27,1050 1.691,1051 7.43,1052 3.941,1053 3.892,1054 4.331,1055 2.339,1056 7.111,1057 3.772,1058 7.47,1059 1.532,1060 8.97,1061 3.539,1062 6.133,1063 6.852,1064 3.684,1065 10.136,1066 6.02,1067 8.699,1068 1.437,1069 10.573,1070 3.196,1071 6.176,1072 6.97,1073 3.823,1074 11.514,1075 5.983,1076 9.963,1077 1.414,1078 12.218,1079 3.085,1080 7.78,1081 8.962,1082 4.828,1083 13.978,1084 7.597,1085 11.25,1086 1.317,1087 13.892,1088 2.993,1089 8.26,1090 9.466,1091 5.232,1092 15.714,1093 8.001,1094 12.555,1095 1.133,1096 15.586,1097 2.875,1098 9.565,1099 11.226,1100 6.075,1101 17.957,1102 9.31,1103 2.711,1104 1,1105 17.294,1106 2.44,1107 10.277,1108 11.935,1109 6.605,1110 19.855,1111 9.956,1112 2.71,1113 7.931,1114 19.012,1115 2.136,1116 11.43,1117 13.563,1118 7.363,1119 22,1120 11.104,1121 2.658,1122 7.931,1123 20.738,1124 3.456,1125 12.268,1126 14.402,1127 7.956,1128 23.977,1129 11.886,1130 2.658,1131 7.636,1132 22.469,1133 3.456,1134 13.341,1135 15.941,1136 8.669,1137 26.076,1138 12.946,1139 2.231,1140 7.636,1141 24.204,1142 3.063,1143 14.248,1144 16.871,1145 9.296,1146 28.092,1147 13.804,1148 2.231,1149 6.007,1150 25.943,1151 3.063,1152 15.28,1153 18.343,1154 9.985,1155 30.17,1156 14.816,1157 1.901,1158 6.007,1159 27.685,1160 2.443,1161 16.224,1162 19.343,1163 10.629,1164 32.206,1165 15.717,1166 52864,1167 71580,1168 30.97,1169 68.535,1170 64.886,1171 66.141,1172 67.023,1173 64.626,1174 64.565,1175 74.938,1176 14.339,1177 158.158,1178 63.136,1179 4.926,1180 5.7,1181 5.763,1182 4.703,1183 4.711,1184 6.456,1185 3.348,1186 13.662,1187 4.621,1188 24.765,1189 1.381,1190 1.407,1191 1.426,1192 1.375,1193 1.374,1194 1.594,1195 0.305,1196 3.365,1197 1.343,1198 3.975,1199 4.025,1200 3.882,1201 3.886,1202 7.429,1203 3.879,1204 3.914,1205 3.954,1206 3.835,1207 3.844,1208 7.425,1209 3.837,1210 3.847,1211 3.901,1212 3.732,1213 3.711,1214 4.771,1215 3.704,1216 3.793,1217 3.849,1218 3.681,1219 3.636,1220 4.743,1221 3.633,1222 3.739,1223 3.803,1224 3.584,1225 3.611,1226 4.312,1227 3.595,1228 3.683,1229 3.754,1230 3.545,1231 3.502,1232 4.26,1233 3.502,1234 3.626,1235 3.693,1236 3.494,1237 3.433,1238 4.242,1239 3.439,1240 3.544,1241 3.621,1242 3.368,1243 3.378,1244 4.19,1245 3.366,1246 0.084,1247 0.079,1248 0.125,1249 0.078,1250 0.058,1251 3.934,1252 0.074,1253 3.7,1254 0.041,1255 5.872,1256 0.169,1257 3.68,1258 0.056,1259 2.711,1260 3.456,1261 1.94,1262 7.931,1263 2.621,1264 1.919,1265 1.886,1266 2.063,1267 2.029,1268 1.411,1269 2.043,1270 1.919,1271 1.886,1272 2.061,1273 2.028,1274 1.363,1275 2.042,1276 1.818,1277 1.758,1278 2.051,1279 1.993,1280 1.36,1281 2.012,1282 1.776,1283 1.719,1284 1.997,1285 1.956,1286 1.232,1287 1.968,1288 1.754,1289 1.693,1290 1.989,1291 1.913,1292 1.194,1293 1.942,1294 1.663,1295 1.593,1296 1.908,1297 1.868,1298 1.187,1299 1.886,1300 1.596,1301 1.526,1302 1.85,1303 1.813,1304 1.042,1305 1.828,1306 1.552,1307 1.477,1308 1.835,1309 1.755,1310 1.031,1311 1.787,1312 4.554,1314 5.765,1316 7.143,1318 8.592,1320 10.079,1322 8.363,1328 22.749,1333 8.829,1340 61.846,1341 140.617,1342 294.244,1343 456.107,1344 538.875,1345 571.404,1346 571.404,1347 171.491,1348 7.338,1349 47.1,1350 47.1,1351 12,1352 12.196,1353 3.907,1354 3.17,1355 141.979,1356 425,1357 344,1358 0.151,1359 391.428,1360 694.5,1361 946.844,1362 22014,1364 33.246,1365 0.723,1366 0.651,1367 33.246,1368 29.935,1369 22.422,1370 0.477,1371 0.392,1372 18.272,1373 21.848,1374 17.69,1375 14.921,1376 22.422,1377 18.43,1378 17.912,1379 0.32,1380 0.234,1381 17.912,1382 13.082,1383 13.993,1384 0.222,1385 0.146,1386 13.993,1387 9.211,1388 9.696,1389 0.147,1390 0.091,1391 9.696,1392 5.994,1393 7.171,1394 0.101,1395 0.057,1396 7.171,1397 4.03,1398 0.263,1399 138.232,1400 0.18,1401 43.174,1402 0.356,1403 206,1404 456.052,1405 218.755,1406 445.419,1407 593.92,1408 418,1409 222,1410 410.428,1411 235.645,1412 421.758,1413 596.02,1414 394,1415 7.31}
{0 CHEMBL1766016,1 1.52,2 10.739,3 1.883,4 3.545,5 92.538,6 7.078,7 0.48,8 3.875,9 4.015,10 3.405,11 3.361,12 4.928,13 3.342,14 4.421,15 4.632,16 3.721,17 3.722,18 5.439,19 3.676,20 4.657,21 4.893,22 3.721,23 3.853,24 5.593,25 3.772,26 4.689,27 4.942,28 3.58,29 3.802,30 5.631,31 3.687,32 4.657,33 4.944,34 3.476,35 3.711,36 5.547,37 3.582,38 4.445,39 4.722,40 3.392,41 3.587,42 5.302,43 3.48,44 4.316,45 4.566,46 3.371,47 3.503,48 5.344,49 3.403,50 4.295,51 4.574,52 3.213,53 3.422,54 5.19,55 3.314,56 0.016,57 0.692,58 9.614,59 3.537,60 5.966,61 5.244,62 0.291,63 1.073,64 18.294,65 5.653,66 21.296,67 8.639,68 0.276,69 1.238,70 23.936,71 7.134,72 29.898,73 11.049,74 0.327,75 1.207,76 25.222,77 7.473,78 40.701,79 11.538,80 0.402,81 1.107,82 25.236,83 7.314,84 43.721,85 11.514,86 0.204,87 0.959,88 19.792,89 5.759,90 22.003,91 9.312,92 0.25,93 0.862,94 17.037,95 5.386,96 32.639,97 8.389,98 0.187,99 0.797,100 17.141,101 5.048,102 22.627,103 8.007,104 6,105 33,106 0.265,107 0.575,108 0.711,109 0.773,110 0.815,111 0.815,112 3.187,113 0.94,114 -3.79,115 -3.75,116 -3.57,121 38.6,122 1,127 5,144 6,145 1,147 1,149 1,152 1,160 1,176 6,179 4,180 4,183 1,185 2,187 6,191 1,197 2,200 3,206 2,209 2,211 2,214 1,218 3,219 3,224 1,227 2,232 4,239 2,243 2,244 8,247 1,251 1,256 4,269 4,272 1,274 1,277 1,281 747,282 15.706,283 15.706,284 15.706,285 15.706,286 15.706,287 14.074,288 22.768,289 9.519,290 16.081,291 12.355,292 12.355,293 12.355,294 12.355,295 12.355,296 9.957,297 36.886,298 4.538,299 12.968,300 3.939,301 2.165,302 1.387,303 1.034,304 0.79,305 0.79,306 3.873,310 1,311 1,312 1,313 527,314 2.739,318 235.397,325 1.837,326 16.963,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 49.5,338 247,339 4.179,340 3.67,341 6.184,342 3.847,343 2.929,344 3.73,345 1.94,346 9.216,347 2.696,348 3.91,349 3.123,350 5.894,351 3.637,352 2.688,353 3.442,354 0.8,355 8.098,356 2.552,357 3.875,358 2.805,359 5.404,360 3.517,361 2.534,362 3.048,363 0.657,364 7.124,365 2.482,366 3.561,367 2.504,368 5.234,369 3.24,370 2.292,371 2.791,372 0.555,373 6.639,374 2.162,375 2.953,376 2.234,377 4.364,378 2.588,379 1.631,380 2.104,382 4.198,383 1.558,384 2.872,385 1.675,386 3.732,387 2.467,388 1.475,389 1.963,391 3.145,392 1.458,393 2.657,394 1.519,395 3.631,396 2.203,397 1.241,398 1.687,400 2.816,401 1.185,402 2.5,403 1.151,404 3.476,405 2,406 1,407 1.5,409 2.452,410 1,411 2.301,412 1.146,413 3.414,414 1.967,415 1,416 1.217,418 2.275,419 0.965,420 2,421 1,422 3.247,423 1.953,424 1,425 1,427 2.136,428 0.946,429 1.821,430 0.789,431 3.079,432 1.536,433 0.6,434 0.712,436 1.402,437 0.56,438 0.945,439 0.374,440 2.502,441 0.612,442 -0.351,443 -0.4,445 -0.837,446 -0.336,447 0.82,448 -0.182,449 2.297,450 0.528,451 -0.435,452 -0.526,454 -1.07,455 -0.417,456 0.563,457 -0.226,458 2,459 0.12,460 -0.84,461 -1,463 -1.866,464 -0.802,465 0.516,466 -0.6,467 1.829,468 0.095,469 -0.915,470 -1.074,472 -2,473 -0.859,474 10.833,475 0.471,476 0.452,477 0.02,478 30.25,479 1.315,480 14.5,481 0.63,482 15.75,483 0.685,484 16.528,485 0.719,486 25.167,487 0.572,488 20.03,489 0.871,490 6.147,491 0.267,492 5.073,493 0.221,494 0.077,496 0.258,501 0.809,502 1.646,503 0.823,504 1.245,505 0.574,506 1.062,507 0.864,508 1.028,509 0.946,510 0.957,511 0.561,512 0.951,513 1.252,514 1.117,515 1.093,516 1.025,517 1.128,518 1.031,519 1.268,520 1.093,521 1.194,522 1.112,523 1.381,524 1.14,525 1.042,526 0.821,527 0.968,528 0.82,529 1.15,530 0.876,531 0.924,532 0.974,533 0.935,534 0.868,535 0.521,536 0.88,537 0.66,538 1.078,539 0.936,540 1.044,541 0.494,542 1.026,543 1.018,544 0.856,545 0.937,546 0.829,547 0.744,548 0.85,549 4,550 0.049,551 2.222,552 0.813,553 0.796,554 0.611,555 0.264,556 0.264,557 0.189,558 0.071,559 6151,560 15412,561 2.093,562 47.7,564 16,566 1,567 1,568 3,572 1.653,573 2,574 3.414,575 -0.284,576 1,577 1,579 1,582 66.88,583 1.52,584 3.294,585 4.073,586 4.425,587 4.67,588 4.67,589 2.935,590 4.002,591 4.492,592 3.568,593 902.711,594 7.714,595 10598.4,597 1,599 1,600 240.215,601 1.214,602 4.473,603 0.16,604 0.004,605 0.067,606 0.025,607 0.031,608 0.025,609 0.011,610 0.012,611 0.01,612 0.004,613 0.351,614 0.33,615 1,616 0.7,617 109.521,618 -0.02,619 -0.386,620 0.067,621 -0.15,622 -0.01,623 -0.05,624 0.152,625 0.133,626 0.014,627 0.013,628 0.097,629 -0.005,630 -0.163,631 -0.066,632 -0.116,633 -0.061,634 -0.126,635 -0.078,636 -0.141,637 -0.094,638 -0.205,639 -0.164,640 -0.197,641 -0.192,642 0.014,643 0.1,644 0.038,645 0.11,646 -0.09,647 0.079,648 -0.096,649 0.014,650 0.042,651 0.078,652 0.002,653 0.085,654 0.225,655 -0.06,656 0.029,657 -0.066,658 0.252,659 -0.05,660 -0.107,661 0.108,662 0.049,663 0.118,664 0.024,665 0.117,666 1.538,667 4.382,668 0.783,669 21.8,670 0.998,671 1.137,672 2.559,673 6.55,674 0.649,675 3.258,676 3.526,677 3.738,678 3.912,679 4.127,680 4.111,681 4.22,682 4.22,683 4.317,684 4.317,685 6.347,686 0.614,687 311.43,688 3.258,689 4.762,690 5.58,691 6.418,692 7.251,693 8.093,694 8.932,695 9.777,696 10.618,697 11.465,698 11.4,703 1,704 1,705 1,708 2,715 7,716 2,720 3,722 12,734 1,736 1,741 44,743 13,744 1,745 25,747 46,748 17,749 10,750 1,751 5,756 3,757 3,763 1,772 11,773 6,777 1,782 1,786 1,789 1,790 1,793 21,794 6,795 1,796 6,802 5,808 1,809 1,823 1,829 3,844 1,859 3,864 1,868 23,876 5,877 1,881 2,893 2.3,896 1,901 11.5,902 8.05,903 5.139,904 2.626,907 2.235,908 1.326,909 0.973,910 5.086,911 9.086,912 3.497,913 3.989,914 4.431,915 4.869,916 5.334,917 5.27,918 5.56,919 5.809,920 6.173,921 6.436,922 1,923 32,924 8.487,926 3.482,927 0.026,929 7.659,931 16.417,933 13.11,936 2.159,937 49.667,941 235.422,942 97.376,943 57.83,945 25.145,948 97.376,949 260.567,950 57.83,951 8.825,952 13.653,953 56.857,954 93.202,955 15.357,956 4.227,957 223.651,959 235.422,960 155.206,961 25.145,964 235.422,965 25.145,968 33.425,969 70.2,970 51.582,972 235.422,973 82.975,974 97.376,977 235.422,978 22.646,979 80.979,980 18.011,981 58.716,982 235.422,983 82.975,984 97.376,986 0.57,987 0.322,988 0.162,989 0.088,990 15,991 6,992 0.087,993 4,995 1,996 3.665,997 172.741,999 18,1000 96.042,1005 15.754,1006 7.425,1007 4.2,1009 82.975,1010 13.859,1011 8.941,1015 2.738,1017 18.011,1018 415.773,1019 32,1024 11.382,1028 0.129,1031 43.905,1032 50.023,1034 0.278,1035 0.603,1036 0.746,1037 0.811,1038 0.855,1039 0.855,1040 4.7,1041 1,1042 5.525,1043 2.816,1044 4.205,1045 4.673,1046 2.253,1047 6.248,1048 4.108,1049 5.848,1050 1,1051 7.029,1052 2.452,1053 3.611,1054 4.182,1055 1.738,1056 6.974,1057 3.449,1058 7.105,1059 1,1060 8.631,1061 2.275,1062 5.714,1063 6.679,1064 3.009,1065 10.005,1066 5.499,1067 8.39,1068 0.6,1069 10.292,1070 2.136,1071 5.943,1072 6.956,1073 3.144,1074 11.56,1075 5.647,1076 9.705,1077 -0.351,1078 11.99,1079 1.402,1080 7.483,1081 8.946,1082 4.139,1083 14.063,1084 7.141,1085 11.039,1086 -0.435,1087 13.713,1088 -0.837,1089 8.103,1090 9.595,1091 4.541,1092 15.962,1093 7.673,1094 12.388,1095 -0.84,1096 15.454,1097 -1.07,1098 9.384,1099 11.337,1100 5.383,1101 18.271,1102 8.906,1103 2.929,1104 -0.915,1105 17.207,1106 -1.866,1107 10.206,1108 12.201,1109 5.912,1110 20.328,1111 9.636,1112 2.688,1113 9.216,1114 18.97,1115 -2,1116 11.361,1117 13.797,1118 6.67,1119 22.564,1120 10.738,1121 2.534,1122 8.098,1123 20.739,1124 3.73,1125 12.29,1126 14.799,1127 7.263,1128 24.695,1129 11.574,1130 2.292,1131 7.124,1132 22.514,1133 3.442,1134 13.386,1135 16.3,1136 7.976,1137 26.907,1138 12.609,1139 1.631,1140 6.639,1141 24.294,1142 3.048,1143 14.372,1144 17.397,1145 8.602,1146 29.076,1147 13.503,1148 1.475,1149 4.198,1150 26.077,1151 2.791,1152 15.442,1153 18.834,1154 9.292,1155 31.281,1156 14.504,1157 1.241,1158 3.145,1159 27.864,1160 2.104,1161 16.459,1162 19.996,1163 9.936,1164 33.469,1165 15.431,1166 5953,1167 9520,1168 16.989,1169 28.574,1170 37.099,1171 37.3,1172 37.237,1173 36.79,1174 36.782,1175 46.389,1176 7.906,1177 99.004,1178 35.127,1179 5.179,1180 5.67,1181 5.986,1182 4.92,1183 4.929,1184 6.73,1185 3.348,1186 15.461,1187 4.696,1188 8.904,1189 1.484,1190 1.492,1191 1.489,1192 1.472,1193 1.471,1194 1.856,1195 0.316,1196 3.96,1197 1.405,1198 3.962,1199 4.018,1200 3.9,1201 3.86,1202 7.428,1203 3.857,1204 3.875,1205 3.921,1206 3.802,1207 3.708,1208 4.999,1209 3.732,1210 3.735,1211 3.792,1212 3.659,1213 3.546,1214 4.749,1215 3.564,1216 3.416,1217 3.475,1218 3.296,1219 3.194,1220 4.289,1221 3.207,1222 3.246,1223 3.33,1224 3.103,1225 3.059,1226 4.148,1227 3.057,1228 3.111,1229 3.206,1230 2.866,1231 2.941,1232 3.847,1233 2.91,1234 2.894,1235 2.991,1236 2.745,1237 2.735,1238 3.737,1239 2.715,1240 2.854,1241 2.925,1242 2.687,1243 2.663,1244 3.674,1245 2.676,1246 0.167,1247 0.147,1248 0.247,1249 0.154,1250 0.117,1251 4.179,1252 0.149,1253 3.67,1254 0.078,1255 6.184,1256 0.369,1257 3.847,1258 0.108,1259 2.929,1260 3.73,1261 1.94,1262 9.216,1263 2.696,1264 1.915,1265 1.883,1266 2.044,1267 2.061,1268 1.277,1269 2.047,1270 1.818,1271 1.756,1272 1.981,1273 1.996,1274 1.154,1275 2.005,1276 1.671,1277 1.615,1278 1.806,1279 1.873,1280 0.825,1281 1.859,1282 1.366,1283 1.304,1284 1.66,1285 1.618,1286 0.818,1287 1.629,1288 1.224,1289 1.148,1290 1.513,1291 1.46,1292 0.71,1293 1.474,1294 1.153,1295 1.064,1296 1.486,1297 1.376,1298 0.615,1299 1.429,1300 0.886,1301 0.821,1302 1.181,1303 1.139,1304 0.345,1305 1.151,1306 0.848,1307 0.757,1308 1.14,1309 1.062,1310 0.218,1311 1.107,1312 3.932,1314 5.209,1316 6.686,1318 8.242,1320 9.837,1322 1.611,1328 3.708,1329 3.325,1333 3.973,1340 27.036,1341 66.88,1342 144.948,1343 179.195,1344 194.705,1345 205.46,1346 205.46,1347 31.287,1348 6.851,1349 61.36,1350 61.36,1351 18,1352 12.027,1353 3.807,1354 3,1355 37.021,1356 87,1357 80,1358 0.207,1359 169.136,1360 289.09,1361 404.452,1362 8484,1364 16.071,1365 0.699,1366 0.577,1367 16.071,1368 13.274,1369 11.22,1370 0.449,1371 0.313,1372 7.713,1373 10.746,1374 7.525,1375 6.236,1376 11.22,1377 7.835,1378 9.793,1379 0.297,1380 0.169,1381 9.793,1382 5.574,1383 7.957,1384 0.194,1385 0.097,1386 7.957,1387 3.967,1388 6.253,1389 0.128,1390 0.053,1391 6.253,1392 2.609,1393 5.01,1394 0.082,1395 0.028,1396 5.01,1397 1.733,1398 0.33,1399 70.366,1400 0.243,1401 23.01,1402 0.551,1403 116,1404 328.649,1405 128.761,1406 318.687,1407 436.25,1408 300,1409 132,1410 320.242,1411 144.874,1412 322.778,1413 466.53,1414 304,1415 4.78}
{0 CHEMBL1766017,1 1.525,2 12.37,3 3.457,4 11.952,5 107.966,6 6.843,7 0.414,8 4.069,9 4.206,10 3.563,11 3.526,12 5.103,13 3.505,14 4.634,15 4.843,16 3.926,17 3.898,18 5.674,19 3.855,20 4.888,21 5.107,22 3.899,23 4.049,24 5.813,25 3.964,26 4.99,27 5.268,28 3.841,29 3.973,30 5.941,31 3.874,32 4.816,33 5.056,34 3.749,35 3.89,36 5.865,37 3.819,38 4.708,39 4.933,40 3.681,41 3.964,42 5.568,43 3.839,44 4.924,45 5.229,46 3.609,47 3.93,48 5.751,49 3.75,50 4.741,51 5.076,52 3.447,53 3.682,54 5.474,55 3.542,56 0.019,57 0.81,58 12.379,59 4.521,60 8.895,61 6.713,62 0.474,63 1.247,64 23.62,65 7.284,66 37.145,67 11.082,68 0.364,69 1.471,70 30.787,71 9.263,72 35.56,73 14.103,74 0.49,75 1.448,76 35.449,77 9.456,78 59.688,79 15.12,80 0.739,81 1.282,82 30.1,83 7.404,84 73.892,85 11.523,86 0.144,87 1.315,88 24.71,89 8.683,90 21.984,91 13.319,92 0.474,93 1.349,94 32.676,95 10.258,96 53.424,97 16.385,98 0.33,99 1.075,100 27.821,101 7.515,102 33.563,103 12.607,104 20,105 40,106 0.255,107 0.552,108 0.685,109 0.733,110 0.767,111 0.767,112 3.339,113 0.956,114 -4.13,115 -4.08,116 -3.86,121 37,122 3,127 5,132 1,144 6,145 1,147 1,149 1,152 1,161 1,176 6,179 6,180 5,183 1,185 2,187 9,191 1,197 2,200 3,206 8,209 2,211 2,214 1,218 4,219 2,224 1,227 2,232 4,239 2,243 4,244 9,247 1,251 1,256 4,269 11,272 2,281 1206,282 17.809,283 17.809,284 17.809,285 17.809,286 17.809,287 16.228,288 26.924,289 10.619,290 18.338,291 14.353,292 14.353,293 14.353,294 14.353,295 14.353,296 11.984,297 44.201,298 5.097,299 15.212,300 4.23,301 2.456,302 1.658,303 1.371,304 1.172,305 1.172,306 4.02,310 1,311 1,312 1,313 701,314 3.808,318 292.649,325 2.236,326 22.452,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 58.5,338 334,339 4.209,340 3.849,341 6.484,342 4.089,343 3.154,344 3.73,345 2.208,346 10.252,347 2.937,348 4.163,349 3.245,350 6.181,351 3.832,352 2.917,353 3.442,354 0.8,355 9.214,356 2.671,357 3.9,358 3.113,359 5.91,360 3.596,361 2.654,362 3.279,363 0.657,364 8.252,365 2.524,366 3.798,367 2.804,368 5.405,369 3.509,370 2.531,371 2.896,372 0.655,373 7.128,374 2.442,375 3.555,376 2.504,377 5.235,378 3.234,379 2.29,380 2.767,381 0.13,382 6.645,383 2.15,384 2.953,385 2.236,386 4.406,387 2.583,388 1.637,389 2.104,391 4.315,392 1.545,393 2.873,394 1.675,395 4.02,396 2.465,397 1.478,398 1.964,400 3.248,401 1.449,402 2.66,403 1.519,404 3.635,405 2.202,406 1.258,407 1.692,409 3.097,410 1.179,411 2.5,412 1.151,413 3.481,414 2,415 1.02,416 1.5,418 2.512,419 1,420 2.31,421 1.146,422 3.414,423 1.967,424 1,425 1.236,427 2.275,428 0.965,429 2,430 1,431 3.247,432 1.956,433 1,434 1,436 2.136,437 0.947,438 1.821,439 0.79,440 3.082,441 1.536,442 0.601,443 0.712,445 1.402,446 0.561,447 0.945,448 0.75,449 2.935,450 0.642,451 -0.286,452 -0.306,454 -0.746,455 -0.263,456 0.884,457 -0.121,458 2.474,459 0.544,460 -0.413,461 -0.514,463 -1.027,464 -0.394,465 0.812,466 -0.191,467 2.297,468 0.48,469 -0.517,470 -0.641,472 -1.308,473 -0.501,474 12.667,475 0.469,476 0.767,477 0.028,478 32.75,479 1.213,480 14.5,481 0.537,482 18.25,483 0.676,484 23.933,485 0.886,486 30.533,487 0.565,488 23.347,489 0.865,490 6.411,491 0.237,492 6.493,493 0.24,494 0.145,495 0.039,496 0.221,501 0.834,502 1.685,503 0.86,504 1.333,505 0.661,506 1.129,507 0.754,508 0.99,509 0.864,510 0.943,511 0.465,512 0.913,513 1.418,514 1.254,515 1.2,516 1.179,517 0.991,518 1.166,519 1.322,520 0.975,521 0.956,522 0.887,523 1.491,524 0.87,525 2.038,526 0.681,527 1.308,528 0.648,529 2.75,530 0.845,531 0.674,532 1.376,533 1.169,534 1.377,535 0.522,536 1.343,537 0.377,538 0.969,539 0.814,540 0.993,541 0.332,542 0.973,543 0.766,544 0.662,545 0.644,546 0.573,547 0.486,548 0.569,549 6.5,550 0.144,551 2.667,552 1.313,553 1.116,554 0.861,555 0.367,556 0.378,557 0.288,558 0.141,559 9535,560 22836,561 2.026,562 50,564 16,566 1,567 1,569 9,572 1.696,573 1.895,574 3.58,575 -0.309,577 1,582 82.334,583 1.525,584 3.299,585 4.097,586 4.384,587 4.583,588 4.583,589 3.069,590 4.208,591 4.723,592 3.791,593 1330.63,594 8.174,595 17949.2,597 1,599 1,600 310.764,601 1.514,602 4.676,603 0.224,604 0.008,605 0.067,606 0.035,607 0.033,608 0.027,609 0.012,610 0.015,611 0.012,612 0.006,613 0.438,614 0.33,615 1,616 1.113,617 136.877,618 -0.013,619 -0.381,620 0.069,621 -0.171,622 -0.049,623 -0.059,624 0.334,625 0.171,626 0.127,627 0.063,628 0.26,629 0.064,630 -0.193,631 -0.19,632 -0.201,633 -0.178,634 -0.159,635 -0.193,636 -0.076,637 -0.047,638 0.07,639 0.022,640 -0.062,641 0.061,642 -0.315,643 0.34,644 -0.231,645 0.241,646 -0.434,647 0.042,648 -0.079,649 -0.256,650 -0.252,651 -0.305,652 -0.048,653 -0.304,654 0.294,655 -0.073,656 0.141,657 -0.034,658 0.259,659 0.018,660 0.036,661 0.186,662 0.347,663 0.312,664 0.154,665 0.378,666 1.929,667 5.175,668 0.667,669 30.963,670 0.998,671 1.138,672 2.904,673 8.431,674 0.635,675 3.401,676 3.714,677 3.85,678 4.06,679 4.248,680 4.234,681 4.357,682 4.454,683 4.575,684 4.533,685 7.356,686 0.599,687 369.52,688 3.401,689 4.934,690 5.74,691 6.603,692 7.422,693 8.286,694 9.113,695 9.976,696 10.809,697 11.672,698 9.3,703 1,704 1,705 1,708 2,715 7,716 2,720 3,722 12,734 1,736 1,741 54,743 13,744 1,745 29,747 56,748 20,749 10,750 1,751 5,756 3,757 3,763 3,772 11,773 9,774 1,777 1,782 1,786 1,790 1,793 27,794 7,795 1,796 7,802 5,808 1,809 2,823 1,829 3,856 1,859 3,864 3,868 27,876 5,877 1,878 1,881 2,882 1,893 3.7,896 1,898 1,901 14.25,902 10.467,903 5.847,904 3.21,907 2.193,908 1.306,909 0.937,910 6.297,911 9.369,912 3.611,913 4.111,914 4.5,915 4.951,916 5.372,917 5.31,918 5.598,919 5.868,920 6.24,921 6.505,922 1,923 37,924 9.995,926 4.109,927 0.026,929 7.664,931 19.26,933 15.352,936 2.164,937 58.417,939 1,940 1,941 306.049,942 117.084,943 57.83,945 36.145,948 117.084,949 342.193,950 57.83,951 26.476,952 13.653,953 56.857,954 88.498,955 26.357,956 10.99,957 294.278,959 306.049,960 174.915,961 36.145,964 200.109,965 142.085,968 51.075,969 72.258,970 51.582,972 306.049,973 93.975,974 117.084,977 306.049,978 24.704,979 98.629,980 18.011,981 69.716,982 306.049,983 93.975,984 117.084,986 0.582,987 0.303,988 0.158,989 0.085,990 18,991 8,992 0.107,993 6,995 1,996 3.965,997 214.856,999 18,1000 115.627,1005 19.589,1006 8.68,1007 5.912,1009 93.975,1010 13.817,1011 8.997,1015 2.666,1017 18.011,1018 517.108,1019 36,1024 12.175,1028 -0.263,1031 53.883,1032 61.478,1034 0.265,1035 0.573,1036 0.712,1037 0.762,1038 0.796,1039 0.796,1040 4.852,1041 1.258,1042 5.746,1043 3.248,1044 4.394,1045 4.796,1046 2.485,1047 6.521,1048 4.277,1049 6.032,1050 1.02,1051 7.287,1052 3.097,1053 4.111,1054 4.494,1055 1.905,1056 7.564,1057 3.923,1058 7.318,1059 1,1060 8.932,1061 2.512,1062 6.014,1063 6.808,1064 3.552,1065 10.468,1066 5.761,1067 8.631,1068 1,1069 10.639,1070 2.275,1071 6.494,1072 7.2,1073 3.664,1074 12.265,1075 6.158,1076 9.971,1077 0.601,1078 12.383,1079 2.136,1080 7.92,1081 9.074,1082 4.959,1083 14.748,1084 7.524,1085 11.327,1086 -0.286,1087 14.152,1088 1.402,1089 8.733,1090 9.791,1091 5.371,1092 16.83,1093 8.25,1094 12.697,1095 -0.413,1096 15.938,1097 -0.746,1098 9.969,1099 11.458,1100 6.458,1101 19.181,1102 9.424,1103 3.154,1104 -0.517,1105 17.735,1106 -1.027,1107 10.939,1108 12.36,1109 7.028,1110 21.383,1111 10.307,1112 2.917,1113 10.252,1114 19.541,1115 -1.308,1116 12.098,1117 13.907,1118 7.994,1119 23.694,1120 11.401,1121 2.654,1122 9.214,1123 21.354,1124 3.73,1125 13.144,1126 14.929,1127 8.654,1128 25.949,1129 12.362,1130 2.531,1131 8.252,1132 23.173,1133 3.442,1134 14.274,1135 16.398,1136 9.549,1137 28.251,1138 13.424,1139 2.29,1140 7.128,1141 24.996,1142 3.279,1143 15.359,1144 17.503,1145 10.263,1146 30.533,1147 14.427,1148 1.637,1149 6.645,1150 26.823,1151 2.896,1152 16.481,1153 18.919,1154 11.116,1155 32.835,1156 15.478,1157 1.478,1158 4.315,1159 28.654,1160 2.767,1161 17.586,1162 20.084,1163 11.862,1164 35.131,1165 16.504,1166 9322,1167 14562,1168 19.068,1169 34.313,1170 43.69,1171 44.391,1172 43.149,1173 43.098,1174 43.082,1175 52.644,1176 8.9,1177 120.952,1178 40.739,1179 5.209,1180 5.849,1181 6.286,1182 5.166,1183 5.154,1184 6.73,1185 3.912,1186 16.814,1187 4.937,1188 13.863,1189 1.507,1190 1.531,1191 1.488,1192 1.486,1193 1.486,1194 1.815,1195 0.307,1196 4.171,1197 1.405,1198 3.965,1199 4.02,1200 3.902,1201 3.861,1202 7.433,1203 3.858,1204 3.876,1205 3.921,1206 3.803,1207 3.708,1208 4.999,1209 3.732,1210 3.763,1211 3.809,1212 3.69,1213 3.575,1214 4.75,1215 3.59,1216 3.66,1217 3.726,1218 3.524,1219 3.495,1220 4.565,1221 3.495,1222 3.278,1223 3.356,1224 3.179,1225 3.069,1226 4.268,1227 3.074,1228 3.182,1229 3.223,1230 3.07,1231 2.941,1232 4.144,1233 2.95,1234 3.111,1235 3.206,1236 2.866,1237 2.896,1238 3.833,1239 2.91,1240 2.874,1241 3.009,1242 2.689,1243 2.735,1244 3.733,1245 2.715,1246 0.145,1247 0.133,1248 0.224,1249 0.141,1250 0.109,1251 4.209,1252 0.129,1253 3.849,1254 0.076,1255 6.484,1256 0.354,1257 4.089,1258 0.101,1259 3.154,1260 3.73,1261 2.208,1262 10.252,1263 2.937,1264 1.915,1265 1.883,1266 2.044,1267 2.06,1268 1.273,1269 2.045,1270 1.814,1271 1.755,1272 1.978,1273 1.996,1274 1.154,1275 2.004,1276 1.702,1277 1.654,1278 1.937,1279 1.905,1280 1.117,1281 1.909,1282 1.639,1283 1.575,1284 1.796,1285 1.835,1286 0.825,1287 1.837,1288 1.231,1289 1.156,1290 1.513,1291 1.481,1292 0.816,1293 1.483,1294 1.153,1295 1.064,1296 1.488,1297 1.376,1298 0.619,1299 1.429,1300 1.039,1301 1.004,1302 1.417,1303 1.363,1304 0.469,1305 1.316,1306 0.934,1307 0.821,1308 1.417,1309 1.239,1310 0.469,1311 1.308,1312 4.078,1314 5.389,1316 6.878,1318 8.44,1320 10.037,1322 5.634,1328 3.27,1329 3.331,1330 5.438,1333 3.827,1334 -0.476,1340 32.331,1341 82.334,1342 178.137,1343 221.215,1344 236.725,1345 247.48,1346 247.48,1347 46.28,1348 7.175,1349 70.59,1350 70.59,1351 18,1352 12.227,1353 3.807,1354 3,1355 47.255,1356 118,1357 112,1358 0.193,1359 201.909,1360 349.78,1361 484.419,1362 13025,1364 19.278,1365 0.714,1366 0.599,1367 19.278,1368 16.182,1369 12.905,1370 0.445,1371 0.319,1372 9.093,1373 12.317,1374 8.763,1375 7.329,1376 12.905,1377 9.243,1378 12.291,1379 0.307,1380 0.188,1381 12.291,1382 7.535,1383 8.754,1384 0.19,1385 0.091,1386 8.754,1387 4.174,1388 7.288,1389 0.128,1390 0.049,1391 7.288,1392 2.803,1393 5.572,1394 0.081,1395 0.028,1396 5.572,1397 1.913,1398 0.311,1399 81.234,1400 0.229,1401 26.528,1402 0.505,1403 138,1404 394.384,1405 155.964,1406 377.789,1407 515.87,1408 354,1409 155,1410 383.515,1411 172.027,1412 386.044,1413 558.01,1414 360,1415 4.726}
{0 CHEMBL1766018,1 1.332,2 12.192,3 4.481,4 20.083,5 109.28,6 6.392,7 0.414,8 4.084,9 4.232,10 3.54,11 3.595,12 4.982,13 3.546,14 4.684,15 4.902,16 3.857,17 4.008,18 5.512,19 3.919,20 4.995,21 5.267,22 3.869,23 4.163,24 5.694,25 4.024,26 5.023,27 5.314,28 3.74,29 4.119,30 5.708,31 3.951,32 4.983,33 5.287,34 3.683,35 4.065,36 5.651,37 3.893,38 4.88,39 5.18,40 3.585,41 3.962,42 5.557,43 3.794,44 4.733,45 5.038,46 3.497,47 3.804,48 5.446,49 3.65,50 4.558,51 4.851,52 3.428,53 3.68,54 5.321,55 3.556,56 0.065,57 0.85,58 13.434,59 4.889,60 8.492,61 7.496,62 0.297,63 1.392,64 25.099,65 8.272,66 21.5,67 12.862,68 0.302,69 1.689,70 34.021,71 10.994,72 23.458,73 17.505,74 0.355,75 1.657,76 35.056,77 11.182,78 27.927,79 17.823,80 0.335,81 1.554,82 33.549,83 10.987,84 27.135,85 17.335,86 0.258,87 1.409,88 30.231,89 9.636,90 23.76,91 15.476,92 0.257,93 1.22,94 26.212,95 8.044,96 23.063,97 13.063,98 0.226,99 1.065,100 22.145,101 6.328,102 20.585,103 10.577,105 38,106 0.222,107 0.512,108 0.684,109 0.781,110 0.806,111 0.806,112 3.303,113 1.033,114 -5.16,115 -5.05,116 -4.73,121 38.2,123 5,127 5,129 1,144 6,145 1,147 1,149 1,152 1,176 10,179 3,180 4,183 1,185 2,187 10,191 1,192 2,197 2,200 5,206 3,209 2,211 2,214 1,218 2,219 4,224 1,227 2,232 6,239 2,244 11,247 1,251 1,256 8,269 5,274 2,277 2,281 1080,282 18.275,283 18.275,284 18.275,285 18.275,286 18.275,287 16.825,288 24.981,289 11.236,290 18.681,291 14.375,292 14.375,293 14.375,294 14.375,295 14.375,296 12.263,297 42.919,298 5.394,299 15.053,300 4.45,301 2.709,302 1.677,303 1.096,304 0.945,305 0.945,306 4.01,311 1,312 1,313 699,314 2.236,318 356.504,325 2.13,326 11.181,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 54.5,338 317,339 4.178,340 3.208,341 6.211,342 3.871,343 2.949,344 3.73,345 0.8,346 9.295,347 2.729,348 3.903,349 2.995,350 6.091,351 3.711,352 2.777,353 3.442,354 0.8,355 8.905,356 2.591,357 3.841,358 2.795,359 5.406,360 3.525,361 2.543,362 2.898,363 0.657,364 7.134,365 2.498,366 3.558,367 2.472,368 5.236,369 3.263,370 2.314,371 2.745,373 6.655,374 2.187,375 2.989,376 1.998,377 4.565,378 2.854,379 1.892,380 2.108,382 4.809,383 1.815,384 2.908,385 1.685,386 4.216,387 2.522,388 1.554,389 2.008,391 3.827,392 1.509,393 2.739,394 1.538,395 3.636,396 2.403,397 1.441,398 1.803,400 3.134,401 1.38,402 2.504,403 1.252,404 3.507,405 2.16,406 1.2,407 1.504,409 2.696,410 1.148,411 2.5,412 1.146,413 3.466,414 2,415 1,416 1.5,418 2.471,419 1,420 2.091,421 1.099,422 3.414,423 2,424 1,425 1.078,427 2.275,428 1,429 2,430 1,431 3.247,432 1.967,433 1,434 1,436 2.136,437 0.965,438 2,439 1,440 3.247,441 1.945,442 1,443 1,445 2.136,446 0.942,447 1.821,448 0.789,449 3.08,450 1.536,451 0.601,452 0.712,454 1.403,455 0.561,456 0.945,457 -0.162,458 2.606,459 0.688,460 -0.274,461 -0.292,463 -0.656,464 -0.263,465 0.823,466 -0.196,467 2.299,468 0.544,469 -0.418,470 -0.518,472 -1.017,473 -0.401,474 12.5,475 0.481,476 0.376,477 0.014,478 30.5,479 1.173,480 13,481 0.5,482 17.5,483 0.673,484 23.449,485 0.902,486 28.9,487 0.525,488 18.545,489 0.713,490 5.511,491 0.212,492 7.372,493 0.284,496 0.224,501 0.988,502 1.579,503 0.936,504 1.244,505 0.781,506 1.111,507 1.175,508 1.135,509 1.091,510 1.088,511 0.785,512 1.083,513 1.152,514 1.11,515 1.031,516 1.034,517 0.864,518 1.023,519 1.153,520 1.013,521 1.069,522 1.015,523 1.151,524 1.03,525 1.001,526 0.888,527 0.943,528 0.898,529 0.982,530 0.912,531 1.127,532 1.01,533 0.976,534 0.948,535 0.967,536 0.947,537 1.134,538 0.957,539 0.904,540 0.861,541 1.017,542 0.86,543 1.535,544 0.91,545 0.969,546 0.769,547 1.526,548 0.806,549 3.5,550 0.049,551 2.222,552 0.75,553 0.667,554 0.625,555 0.342,556 0.248,557 0.144,558 0.063,559 9445,560 17165,561 2.196,562 52.7,563 6,564 17,566 1,567 1,569 4,572 1.685,573 2.167,574 3.581,575 -0.37,577 1,582 73.245,583 1.332,584 3.072,585 4.104,586 4.686,587 4.836,588 4.836,589 3.056,590 4.133,591 4.669,592 3.737,593 1214.49,594 8.063,595 15779.3,597 1,599 1,600 317.975,601 0.779,602 4.676,603 0.121,604 0.003,605 0.058,606 0.02,607 0.022,608 0.021,609 0.013,610 0.01,611 0.006,612 0.003,613 0.276,614 0.33,615 1,617 129.804,618 0.054,619 -0.289,620 0.086,621 -0.093,622 0.165,623 -0.016,624 0.135,625 0.043,626 -0.059,627 -0.066,628 0.206,629 -0.079,630 -0.034,631 -0.084,632 -0.031,633 -0.057,634 0.049,635 -0.046,636 -0.023,637 -0.029,638 -0.074,639 -0.066,640 -0.049,641 -0.073,642 0.04,643 0.058,644 0.041,645 0.05,646 0.046,647 0.046,648 -0.064,649 -0.056,650 0.011,652 0.017,653 0.01,654 0.027,655 -0.002,656 0.094,657 0.066,658 0.101,659 0.084,660 -0.169,661 0.103,662 0.054,663 0.146,664 -0.113,665 0.125,666 0.814,667 1.734,668 0.923,669 28.237,670 0.984,671 1.136,672 3.925,673 15.409,674 0.639,675 3.401,676 3.664,677 3.912,678 4.127,679 4.357,680 4.317,681 4.477,682 4.564,683 4.673,684 4.745,685 7.078,686 0.59,687 351.55,688 3.401,689 4.905,690 5.733,691 6.575,692 7.415,693 8.262,694 9.108,695 9.958,696 10.806,697 11.658,698 9.1,701 1,703 1,704 1,708 2,715 7,716 2,720 3,722 12,734 1,736 1,741 55,743 12,744 1,745 29,747 58,748 21,749 10,750 1,751 5,756 4,757 4,767 6,770 6,772 10,773 11,790 1,793 29,794 5,795 1,796 5,802 5,808 1,823 1,829 4,855 1,859 4,868 26,876 10,877 1,880 1,881 2,901 12,902 9.467,903 5.806,904 3.685,907 2.125,908 1.287,909 0.987,910 5.904,911 9.537,912 3.584,913 4.043,914 4.5,915 4.943,916 5.399,917 5.32,918 5.606,919 5.876,920 6.23,921 6.518,922 1,923 37,924 9.658,926 4.014,927 0.026,929 7.34,931 19.506,933 16.416,936 1.84,937 47.833,939 1,940 1,941 329.591,942 96.519,943 57.83,948 96.519,949 329.591,950 57.83,952 23.201,953 56.857,954 63.353,955 18.482,956 4.227,957 317.82,959 329.591,960 154.349,964 282.506,965 47.084,968 37.272,969 65.495,970 51.582,972 329.591,973 57.83,974 96.519,977 329.591,978 30.614,979 72.154,980 18.011,981 33.571,982 329.591,983 57.83,984 96.519,986 0.564,987 0.324,988 0.175,989 0.096,990 18,991 6,992 0.086,993 5,995 1,996 4.058,997 210.253,999 24,1000 110.211,1005 17.601,1006 8.722,1007 4.688,1009 57.83,1010 14.231,1011 9.246,1015 3.008,1017 18.011,1018 483.94,1019 35,1031 54.112,1032 62.474,1034 0.23,1035 0.531,1036 0.71,1037 0.81,1038 0.836,1039 0.836,1040 4.796,1041 1.2,1042 5.659,1043 3.134,1044 4.344,1045 4.727,1046 1.331,1047 6.382,1048 4.249,1049 5.907,1050 1,1051 7.152,1052 2.696,1053 3.611,1054 4.086,1055 0.57,1056 7.081,1057 3.414,1058 7.146,1059 1,1060 8.746,1061 2.471,1062 5.844,1063 6.681,1064 0.831,1065 10.16,1066 5.635,1067 8.413,1068 1,1069 10.402,1070 2.275,1071 5.994,1072 6.876,1073 0.479,1074 11.74,1075 5.663,1076 9.716,1077 1,1078 12.101,1079 2.136,1080 7.608,1081 8.923,1082 0.532,1083 14.27,1084 7.271,1085 11.041,1086 0.601,1087 13.829,1088 2.136,1089 8.192,1090 9.531,1091 0.346,1092 16.206,1093 7.731,1094 12.382,1095 -0.274,1096 15.577,1097 1.403,1098 9.515,1099 11.305,1100 0.342,1101 18.538,1102 9.036,1103 2.949,1104 -0.418,1105 17.339,1106 -0.656,1107 10.325,1108 12.15,1109 0.237,1110 20.627,1111 9.729,1112 2.777,1113 9.295,1114 19.112,1115 -1.017,1116 11.505,1117 13.765,1118 0.219,1119 22.884,1120 10.877,1121 2.543,1122 8.905,1123 20.894,1124 3.73,1125 12.434,1126 14.759,1127 0.158,1128 25.041,1129 11.697,1130 2.314,1131 7.134,1132 22.681,1133 3.442,1134 13.547,1135 16.272,1136 0.14,1137 27.27,1138 12.763,1139 1.892,1140 6.655,1141 24.473,1142 2.898,1143 14.538,1144 17.366,1145 0.104,1146 29.457,1147 13.654,1148 1.554,1149 4.809,1150 26.269,1151 2.745,1152 15.62,1153 18.811,1154 0.089,1155 31.676,1156 14.678,1157 1.441,1158 3.827,1159 28.069,1160 2.108,1161 16.645,1162 19.974,1163 0.068,1164 33.878,1165 15.609,1166 8756,1167 11967,1168 20.455,1169 35.165,1170 42.685,1171 42.475,1172 42.508,1173 42.591,1174 42.54,1175 51.055,1176 4.515,1177 113.747,1178 40.648,1179 5.178,1180 5.208,1181 6.013,1182 4.944,1183 4.949,1184 6.73,1185 1.457,1186 15.602,1187 4.729,1189 1.472,1190 1.465,1191 1.466,1192 1.469,1193 1.467,1194 1.761,1195 0.156,1196 3.922,1197 1.402,1198 3.983,1199 4.044,1200 3.908,1201 3.866,1202 4.999,1203 3.863,1204 3.9,1205 3.946,1206 3.81,1207 3.787,1208 4.75,1209 3.785,1210 3.822,1211 3.877,1212 3.737,1213 3.665,1214 4.382,1215 3.681,1216 3.646,1217 3.717,1218 3.512,1219 3.477,1220 4.186,1221 3.478,1222 3.263,1223 3.349,1224 3.13,1225 3.068,1226 4.116,1227 3.069,1228 3.131,1229 3.218,1230 2.968,1231 2.947,1232 3.819,1233 2.938,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.674,1239 2.91,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.674,1245 2.91,1246 0.144,1247 0.111,1248 0.214,1249 0.133,1250 0.102,1251 4.178,1252 0.129,1253 3.208,1254 0.028,1255 6.211,1256 0.321,1257 3.871,1258 0.094,1259 2.949,1260 3.73,1261 0.8,1262 9.295,1263 2.729,1264 1.917,1265 1.884,1266 2.11,1267 2.089,1268 1.5,1269 2.094,1270 1.9,1271 1.842,1272 2.043,1273 2.019,1274 1.254,1275 2.028,1276 1.777,1277 1.72,1278 1.942,1279 1.954,1280 1.154,1281 1.96,1282 1.623,1283 1.557,1284 1.794,1285 1.82,1286 0.829,1287 1.824,1288 1.232,1289 1.156,1290 1.513,1291 1.475,1292 0.825,1293 1.484,1294 1.153,1295 1.064,1296 1.513,1297 1.376,1298 0.825,1299 1.429,1300 1.153,1301 1.064,1302 1.491,1303 1.376,1304 0.779,1305 1.429,1306 1.132,1307 1.05,1308 1.445,1309 1.359,1310 0.616,1311 1.391,1312 4.078,1314 5.352,1316 6.834,1318 8.399,1320 10.003,1328 12.111,1329 3.413,1332 0.811,1333 5.014,1340 32.429,1341 73.245,1342 168.965,1343 225.736,1344 257.71,1345 265.975,1346 265.975,1347 30.796,1348 7.412,1349 44.29,1350 44.29,1351 24,1352 12.215,1353 3.7,1354 2.807,1355 38.267,1356 109,1357 104,1358 0.167,1359 199.043,1360 339.78,1361 477.425,1362 18078,1364 17.606,1365 0.677,1366 0.595,1367 17.606,1368 15.479,1369 12.882,1370 0.444,1371 0.344,1372 9.872,1373 12.488,1374 9.7,1375 8.017,1376 12.882,1377 9.982,1378 10.947,1379 0.288,1380 0.195,1381 10.947,1382 7.396,1383 9.331,1384 0.19,1385 0.115,1386 9.331,1387 5.648,1388 7.663,1389 0.126,1390 0.068,1391 7.663,1392 4.121,1393 6.343,1394 0.082,1395 0.039,1396 6.343,1397 3.032,1398 0.269,1399 79.759,1400 0.221,1401 25.715,1402 0.439,1403 134,1404 292.913,1405 144.546,1406 289.578,1407 410.13,1408 276,1409 154,1410 311.254,1411 165.546,1412 315.42,1413 460.52,1414 299,1415 4.64}
{0 CHEMBL1766019,1 1.361,2 10.739,3 3.349,4 11.218,5 97.433,6 6.489,7 0.48,8 3.944,9 4.095,10 3.405,11 3.43,12 4.906,13 3.388,14 4.51,15 4.738,16 3.717,17 3.803,18 5.399,19 3.731,20 4.763,21 5.022,22 3.721,23 3.958,24 5.55,25 3.842,26 4.836,27 5.119,28 3.58,29 3.944,30 5.587,31 3.78,32 4.825,33 5.143,34 3.483,35 3.848,36 5.533,37 3.673,38 4.603,39 4.91,40 3.396,41 3.676,42 5.348,43 3.539,44 4.371,45 4.628,46 3.36,47 3.57,48 5.242,49 3.456,50 4.396,51 4.685,52 3.216,53 3.524,54 5.198,55 3.394,56 0.053,57 0.742,58 11.52,59 3.998,60 8.534,61 6.262,62 0.283,63 1.163,64 21.1,65 6.381,66 21.383,67 10.229,68 0.273,69 1.373,70 27.098,71 8.16,72 21.97,73 13.328,74 0.297,75 1.373,76 29.104,77 9.235,78 27.118,79 14.759,80 0.312,81 1.269,82 28.921,83 8.92,84 29.019,85 14.419,86 0.242,87 1.06,88 23.221,89 6.581,90 22.963,91 11.055,92 0.175,93 0.927,94 18.209,95 5.589,96 20.852,97 9.074,98 0.217,99 0.892,100 18.888,101 5.266,102 21.976,103 8.852,104 6,105 33,106 0.234,107 0.543,108 0.711,109 0.781,110 0.791,111 0.791,112 3.187,113 0.998,114 -4.47,115 -4.4,116 -4.15,121 37.5,122 2,127 5,129 1,144 6,145 1,147 1,149 1,152 1,176 6,179 3,180 4,183 1,185 2,187 7,191 1,197 2,200 3,206 2,209 2,211 2,214 1,218 2,219 4,224 1,227 2,232 4,239 2,244 10,247 1,251 1,256 4,269 3,274 2,277 2,281 747,282 15.706,283 15.706,284 15.706,285 15.706,286 15.706,287 14.256,288 24.981,289 9.519,290 16.129,291 12.355,292 12.355,293 12.355,294 12.355,295 12.355,296 10.243,297 42.919,298 4.538,299 13.046,300 4.224,301 2.43,302 1.454,303 1.047,304 0.99,305 0.99,306 3.873,310 1,311 1,312 1,313 527,314 2.739,318 235.397,325 1.837,326 11.226,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 48.5,338 247,339 4.177,340 3.189,341 6.184,342 3.844,343 2.929,344 3.73,345 0.8,346 9.216,347 2.68,348 3.9,349 2.941,350 5.894,351 3.62,352 2.688,353 3.442,354 0.8,355 8.098,356 2.531,357 3.754,358 2.789,359 5.404,360 3.514,361 2.534,362 2.862,363 0.657,364 7.124,365 2.458,366 3.523,367 2.464,368 5.234,369 3.235,370 2.292,371 2.662,373 6.639,374 2.153,375 2.937,376 1.763,377 4.364,378 2.575,379 1.631,380 2.099,382 4.198,383 1.543,384 2.826,385 1.574,386 3.732,387 2.459,388 1.475,389 1.918,391 3.145,392 1.446,393 2.589,394 1.349,395 3.631,396 2.188,397 1.241,398 1.614,400 2.816,401 1.171,402 2.5,403 1.146,404 3.476,405 2,406 1,407 1.5,409 2.452,410 1,411 2.129,412 1.11,413 3.414,414 1.967,415 1,416 1.109,418 2.275,419 0.965,420 2,421 1,422 3.247,423 1.937,424 1,425 1,427 2.136,428 0.934,429 1.821,430 0.789,431 3.079,432 1.536,433 0.6,434 0.712,436 1.402,437 0.56,438 0.939,439 -0.185,440 2.502,441 0.606,442 -0.351,443 -0.393,445 -0.837,446 -0.335,447 0.789,448 -0.264,449 2.297,450 0.526,451 -0.435,452 -0.526,454 -1.07,455 -0.416,456 0.559,457 -0.6,458 2,459 0.115,460 -0.84,461 -1,463 -1.866,464 -0.801,465 0.5,466 -0.725,467 1.829,468 0.021,469 -0.915,470 -1,472 -2,473 -0.858,474 11,475 0.478,476 0.452,477 0.02,478 28.5,479 1.239,480 13,481 0.565,482 15.5,483 0.674,484 18.733,485 0.814,486 25.6,487 0.533,488 17.825,489 0.775,490 5.536,491 0.241,492 5.685,493 0.247,494 0.091,496 0.255,501 1.006,502 1.664,503 0.927,504 1.282,505 0.932,506 1.125,507 1.217,508 1.069,509 1.012,510 0.972,511 0.773,512 0.97,513 1.327,514 1.109,515 1.1,516 1.028,517 1.017,518 1.037,519 1.048,520 1.077,521 1.099,522 1.105,523 1.235,524 1.107,525 0.939,526 0.857,527 0.883,528 0.85,529 1.012,530 0.859,531 1.321,532 0.852,533 0.909,534 0.74,535 1.06,536 0.774,537 1.163,538 1.194,539 1.044,540 1.082,541 1.092,542 1.055,543 1.618,544 0.814,545 1.104,546 0.78,547 1.638,548 0.869,549 4,550 0.049,551 2.222,552 0.813,553 0.796,554 0.611,555 0.264,556 0.264,557 0.189,558 0.071,559 6151,560 12255,561 2.093,562 52.1,564 17,566 1,567 1,569 6,572 1.653,573 2,574 3.414,575 -0.326,576 1,577 1,582 65.314,583 1.361,584 3.155,585 4.131,586 4.538,587 4.595,588 4.595,589 2.935,590 4.002,591 4.492,592 3.568,593 902.711,594 7.714,595 10598.4,597 1,599 1,600 268.078,601 1.214,602 4.473,603 0.16,604 0.004,605 0.067,606 0.025,607 0.031,608 0.025,609 0.011,610 0.012,611 0.01,612 0.004,613 0.351,614 0.33,615 1,616 0.7,617 109.521,618 0.04,619 -0.369,620 0.077,621 -0.141,622 0.021,623 -0.046,624 0.15,625 0.101,626 0.02,627 0.018,628 0.227,629 0.007,630 -0.123,631 -0.04,632 -0.093,633 -0.055,634 -0.063,635 -0.068,636 -0.008,637 -0.091,638 -0.115,639 -0.139,640 -0.117,641 -0.139,642 0.079,643 0.043,644 0.099,645 0.077,646 0.044,647 0.088,648 -0.127,649 0.1,650 0.095,651 0.172,652 -0.006,653 0.16,654 -0.012,655 -0.132,656 -0.043,657 -0.1,658 0.109,659 -0.079,660 -0.304,661 0.202,662 -0.087,663 0.136,664 -0.259,665 0.062,666 0.841,667 1.667,668 0.783,669 21.8,670 0.986,671 1.138,672 3.243,673 10.515,674 0.638,675 3.258,676 3.526,677 3.738,678 3.912,679 4.127,680 4.111,681 4.22,682 4.22,683 4.317,684 4.317,685 6.347,686 0.591,687 311.48,688 3.258,689 4.762,690 5.58,691 6.418,692 7.251,693 8.093,694 8.932,695 9.777,696 10.618,697 11.465,698 10.4,701 1,703 1,704 1,708 2,715 7,716 2,720 3,722 12,734 1,736 1,741 48,743 12,744 1,745 25,747 50,748 18,749 10,750 1,751 5,756 3,757 3,763 2,770 1,772 10,773 8,789 1,790 1,793 25,794 5,795 1,796 5,802 5,808 1,823 1,829 3,855 1,859 3,864 2,868 23,876 5,877 1,880 1,881 2,901 11.5,902 8.967,903 5.139,904 3.018,907 2.15,908 1.314,909 0.962,910 5.341,911 9.002,912 3.466,913 3.951,914 4.407,915 4.854,916 5.324,917 5.249,918 5.529,919 5.782,920 6.135,921 6.395,922 1,923 32,924 8.498,926 3.442,927 0.026,929 7.428,931 16.838,933 13.559,936 1.928,937 44.333,938 0.001,940 1,941 282.506,942 101.496,943 57.83,948 101.496,949 282.506,950 57.83,951 17.65,952 10.529,953 56.857,954 63.353,955 18.482,956 4.227,957 270.735,959 282.506,960 159.327,964 211.88,965 70.627,968 42.25,969 65.495,970 51.582,972 282.506,973 57.83,974 101.496,977 282.506,978 17.941,979 89.804,980 18.011,981 33.571,982 282.506,983 57.83,984 101.496,986 0.57,987 0.322,988 0.162,989 0.088,990 15,991 6,992 0.1,993 5,995 1,996 3.665,997 172.741,999 18,1000 94.042,1005 16.067,1006 7.646,1007 4.352,1009 57.83,1010 14.123,1011 9.111,1015 2.954,1017 18.011,1018 441.833,1019 31,1031 47.345,1032 54.644,1034 0.244,1035 0.565,1036 0.74,1037 0.813,1038 0.823,1039 0.823,1040 4.673,1041 1,1042 5.525,1043 2.816,1044 4.205,1045 4.635,1046 1.331,1047 6.248,1048 4.095,1049 5.81,1050 1,1051 7.029,1052 2.452,1053 3.611,1054 4.086,1055 0.57,1056 6.974,1057 3.414,1058 7.059,1059 1,1060 8.631,1061 2.275,1062 5.714,1063 6.627,1064 0.831,1065 10.005,1066 5.476,1067 8.336,1068 0.6,1069 10.292,1070 2.136,1071 5.943,1072 6.856,1073 0.479,1074 11.56,1075 5.599,1076 9.645,1077 -0.351,1078 11.99,1079 1.402,1080 7.483,1081 8.891,1082 0.532,1083 14.063,1084 7.104,1085 10.973,1086 -0.435,1087 13.713,1088 -0.837,1089 8.103,1090 9.508,1091 0.346,1092 15.962,1093 7.614,1094 12.317,1095 -0.84,1096 15.454,1097 -1.07,1098 9.384,1099 11.285,1100 0.342,1101 18.271,1102 8.854,1103 2.929,1104 -0.915,1105 17.207,1106 -1.866,1107 10.206,1108 12.132,1109 0.237,1110 20.328,1111 9.565,1112 2.688,1113 9.216,1114 18.97,1115 -2,1116 11.361,1117 13.751,1118 0.219,1119 22.564,1120 10.67,1121 2.534,1122 8.098,1123 20.739,1124 3.73,1125 12.29,1126 14.746,1127 0.158,1128 24.695,1129 11.491,1130 2.292,1131 7.124,1132 22.514,1133 3.442,1134 13.386,1135 16.263,1136 0.14,1137 26.907,1138 12.526,1139 1.631,1140 6.639,1141 24.294,1142 2.862,1143 14.372,1144 17.357,1145 0.104,1146 29.076,1147 13.408,1148 1.475,1149 4.198,1150 26.077,1151 2.662,1152 15.442,1153 18.805,1154 0.089,1155 31.281,1156 14.407,1157 1.241,1158 3.145,1159 27.864,1160 2.099,1161 16.459,1162 19.967,1163 0.068,1164 33.469,1165 15.324,1166 5953,1167 8536,1168 16.989,1169 30.643,1170 37.031,1171 36.814,1172 37.237,1173 36.805,1174 36.782,1175 45.299,1176 4.515,1177 99.004,1178 34.884,1179 5.177,1180 5.189,1181 5.986,1182 4.916,1183 4.929,1184 6.73,1185 1.457,1186 15.461,1187 4.68,1188 8.904,1189 1.481,1190 1.473,1191 1.489,1192 1.472,1193 1.471,1194 1.812,1195 0.181,1196 3.96,1197 1.395,1198 3.965,1199 4.024,1200 3.9,1201 3.861,1202 4.999,1203 3.858,1204 3.878,1205 3.926,1206 3.801,1207 3.719,1208 4.749,1209 3.738,1210 3.749,1211 3.813,1212 3.655,1213 3.577,1214 4.384,1215 3.588,1216 3.481,1217 3.564,1218 3.308,1219 3.311,1220 4.169,1221 3.297,1222 3.249,1223 3.335,1224 3.106,1225 3.062,1226 4.048,1227 3.06,1228 3.111,1229 3.206,1230 2.866,1231 2.941,1232 3.791,1233 2.91,1234 2.895,1235 3.009,1236 2.756,1237 2.735,1238 3.674,1239 2.715,1240 2.874,1241 2.989,1242 2.687,1243 2.665,1244 3.633,1245 2.683,1246 0.167,1247 0.128,1248 0.247,1249 0.154,1250 0.117,1251 4.177,1252 0.149,1253 3.189,1254 0.032,1255 6.184,1256 0.369,1257 3.844,1258 0.107,1259 2.929,1260 3.73,1261 0.8,1262 9.216,1263 2.68,1264 1.916,1265 1.883,1266 2.045,1267 2.067,1268 1.323,1269 2.057,1270 1.833,1271 1.768,1272 2.02,1273 2.001,1274 1.154,1275 2.014,1276 1.701,1277 1.642,1278 1.853,1279 1.892,1280 1.029,1281 1.886,1282 1.49,1283 1.412,1284 1.761,1285 1.699,1286 0.825,1287 1.73,1288 1.225,1289 1.15,1290 1.513,1291 1.463,1292 0.811,1293 1.475,1294 1.153,1295 1.064,1296 1.486,1297 1.376,1298 0.617,1299 1.429,1300 0.934,1301 0.821,1302 1.417,1303 1.239,1304 0.469,1305 1.308,1306 0.886,1307 0.804,1308 1.181,1309 1.129,1310 0.34,1311 1.138,1312 3.932,1314 5.209,1316 6.686,1318 8.242,1320 9.837,1322 4.501,1328 4.893,1329 3.379,1332 0.608,1333 4.764,1340 28.375,1341 65.314,1342 151.43,1343 198.304,1344 217.814,1345 220.568,1346 220.568,1347 27.233,1348 6.851,1349 44.29,1350 44.29,1351 18,1352 12.027,1353 3.7,1354 2.807,1355 37.021,1356 87,1357 80,1358 0.207,1359 177.659,1360 300.24,1361 425.249,1362 8484,1364 16.071,1365 0.699,1366 0.606,1367 16.071,1368 13.943,1369 11.22,1370 0.449,1371 0.333,1372 8.211,1373 10.817,1374 7.955,1375 6.644,1376 11.22,1377 8.32,1378 9.793,1379 0.297,1380 0.188,1381 9.793,1382 6.198,1383 7.957,1384 0.194,1385 0.105,1386 7.957,1387 4.287,1388 6.253,1389 0.128,1390 0.058,1391 6.253,1392 2.826,1393 5.01,1394 0.082,1395 0.03,1396 5.01,1397 1.841,1398 0.33,1399 69.788,1400 0.243,1401 23.01,1402 0.551,1403 116,1404 274.913,1405 126.546,1406 271.896,1407 382.21,1408 258,1409 132,1410 289.254,1411 143.213,1412 293.987,1413 425.98,1414 277,1415 4.602}
{0 CHEMBL1766020,1 1.31,2 10.739,3 4.543,4 20.637,5 98.056,6 6.337,7 0.48,8 3.953,9 4.1,10 3.391,11 3.478,12 4.894,13 3.421,14 4.526,15 4.744,16 3.705,17 3.875,18 5.383,19 3.78,20 4.817,21 5.075,22 3.722,23 4.03,24 5.565,25 3.888,26 4.911,27 5.21,28 3.58,29 3.984,30 5.627,31 3.806,32 4.83,33 5.146,34 3.473,35 3.866,36 5.524,37 3.688,38 4.621,39 4.928,40 3.391,41 3.707,42 5.365,43 3.565,44 4.389,45 4.642,46 3.353,47 3.612,48 5.242,49 3.487,50 4.426,51 4.714,52 3.216,53 3.565,54 5.216,55 3.424,56 0.059,57 0.734,58 11.808,59 4.455,60 8.935,61 6.722,62 0.25,63 1.182,64 21.313,65 7.606,66 20.274,67 11.449,68 0.193,69 1.443,70 28.194,71 9.799,72 21.266,73 15.238,74 0.318,75 1.472,76 31.224,77 10.084,78 28.812,79 15.969,80 0.248,81 1.315,82 28.651,83 9.087,84 27.072,85 14.607,86 0.241,87 1.108,88 23.49,89 6.881,90 23.484,91 11.354,92 0.143,93 0.954,94 18.456,95 6.016,96 20.4,97 9.568,98 0.202,99 0.935,100 19.311,101 5.758,102 22.008,103 9.408,104 6,105 33,106 0.225,107 0.542,108 0.739,109 0.787,110 0.796,111 0.796,112 3.187,113 1.03,114 -5.49,115 -5.37,116 -5.01,121 38.8,122 2,123 2,124 2,127 3,144 6,145 1,147 1,149 1,152 1,176 11,179 3,180 4,183 1,185 2,187 12,192 1,197 2,200 7,206 7,209 2,211 2,214 1,219 6,224 1,227 2,232 6,237 2,239 4,244 9,249 1,251 2,256 4,261 1,264 3,269 2,274 2,277 7,281 747,282 15.706,283 15.706,284 15.706,285 15.706,286 15.706,287 14.256,288 19.391,289 9.519,290 15.999,291 12.355,292 12.355,293 12.355,294 12.355,295 12.355,296 10.243,297 31.669,298 4.538,299 12.846,300 4.305,301 2.453,302 1.302,303 1.026,304 0.97,305 0.97,306 3.873,311 1,312 1,313 527,314 2.739,318 235.397,325 1.837,326 10.761,328 1,329 0.75,330 1,331 1,332 1,333 1,334 1,335 1,336 0.96,337 48,338 247,339 4.177,340 3.142,341 6.184,342 3.863,343 2.929,344 3.73,345 0.8,346 9.216,347 2.778,348 3.9,349 2.814,350 5.894,351 3.662,352 2.688,353 3.442,354 0.657,355 8.098,356 2.583,357 3.754,358 2.68,359 5.404,360 3.519,361 2.534,362 2.862,364 7.124,365 2.491,366 3.523,367 2.451,368 5.234,369 3.239,370 2.292,371 2.662,373 6.639,374 2.16,375 2.937,376 1.747,377 4.364,378 2.581,379 1.631,380 2.099,382 4.198,383 1.551,384 2.826,385 1.564,386 3.732,387 2.463,388 1.475,389 1.918,391 3.145,392 1.455,393 2.589,394 1.272,395 3.631,396 2.2,397 1.241,398 1.614,400 2.816,401 1.186,402 2.5,403 1.077,404 3.476,405 2,406 1,407 1.5,409 2.452,410 1,411 2.129,412 1.061,413 3.414,414 1.984,415 1,416 1.109,418 2.275,419 0.983,420 2,421 1,422 3.247,423 1.954,424 1,425 1,427 2.136,428 0.951,429 1.821,430 0.789,431 3.079,432 1.536,433 0.6,434 0.712,436 1.402,437 0.56,438 0.939,439 -0.186,440 2.502,441 0.614,442 -0.351,443 -0.393,445 -0.837,446 -0.338,447 0.789,448 -0.299,449 2.297,450 0.529,451 -0.435,452 -0.526,454 -1.07,455 -0.418,456 0.559,457 -0.735,458 2,459 0.117,460 -0.84,461 -1,463 -1.866,464 -0.803,465 0.5,466 -0.784,467 1.829,468 0.024,469 -0.915,470 -1,472 -2,473 -0.861,474 11.1,475 0.483,476 0.452,477 0.02,478 27.75,479 1.207,480 13,481 0.565,482 14.75,483 0.641,484 20.167,485 0.877,486 25.5,487 0.52,488 16.39,489 0.713,490 4.964,491 0.216,492 6.256,493 0.272,494 0.09,496 0.261,501 0.976,502 1.496,503 0.959,504 1.219,505 0.916,506 1.11,507 0.933,508 1.044,509 1.015,510 1.052,511 0.709,512 1.043,513 1.026,514 1.255,515 1.042,516 1.151,517 0.894,518 1.107,519 1.17,520 0.99,521 1.05,522 0.987,523 1.184,524 1.004,525 1.167,526 0.937,527 0.908,528 0.851,529 1.087,530 0.855,531 1.6,532 0.791,533 0.957,534 0.698,535 1.208,536 0.757,537 1.285,538 1.252,539 1.075,540 1.104,541 1.141,542 1.076,543 1.753,544 0.821,545 1.119,546 0.797,547 1.652,548 0.884,549 4,550 0.049,551 2.222,552 0.813,553 0.796,554 0.611,555 0.264,556 0.264,557 0.189,558 0.071,559 6151,560 11445,561 2.093,562 53.1,563 8,564 12,566 1,567 1,569 4,572 1.653,573 2,574 3.414,575 -0.369,582 64.199,583 1.31,584 3.161,585 4.313,586 4.589,587 4.645,588 4.645,589 2.935,590 4.002,591 4.492,592 3.568,593 902.711,594 7.714,595 10598.4,597 1,600 275.121,601 1.214,602 4.473,603 0.16,604 0.004,605 0.067,606 0.025,607 0.031,608 0.025,609 0.011,610 0.012,611 0.01,612 0.004,613 0.351,614 0.33,615 0.88,616 0.7,617 109.521,618 0.046,619 -0.227,620 0.067,621 -0.073,622 0.053,623 -0.013,624 0.277,625 0.111,626 0.008,627 -0.016,628 0.263,629 -0.026,630 -0.018,631 -0.221,632 -0.052,633 -0.145,634 0.023,635 -0.109,636 0.012,637 -0.019,638 -0.055,639 -0.056,640 -0.074,641 -0.061,642 -0.036,643 -0.01,644 0.079,645 0.067,646 -0.018,647 0.081,648 -0.191,649 0.196,650 0.061,651 0.197,652 -0.068,653 0.159,654 -0.081,655 -0.184,656 -0.064,657 -0.118,658 0.076,659 -0.094,660 -0.312,661 0.213,662 -0.095,663 0.117,664 -0.245,665 0.045,666 0.815,667 1.685,668 0.783,669 21.8,670 0.982,671 1.134,672 4.263,673 18.17,674 0.641,675 3.258,676 3.526,677 3.738,678 3.912,679 4.127,680 4.111,681 4.22,682 4.22,683 4.317,684 4.317,685 6.347,686 0.589,687 310.49,688 3.258,689 4.762,690 5.58,691 6.418,692 7.251,693 8.093,694 8.932,695 9.777,696 10.618,697 11.465,698 8.2,703 1,704 1,708 2,715 7,716 2,720 3,722 12,734 1,736 1,741 49,743 12,744 1,745 25,747 51,748 19,749 10,750 1,751 5,756 3,757 3,763 2,767 2,768 1,770 2,772 10,773 9,774 2,790 1,793 26,794 4,795 1,796 4,802 4,808 1,823 1,829 3,859 3,864 2,868 23,876 5,877 1,880 2,881 1,901 11.5,902 9.1,903 5.139,904 3.196,907 2.15,908 1.314,909 0.957,910 5.372,911 9.002,912 3.466,913 3.951,914 4.407,915 4.854,916 5.324,917 5.249,918 5.529,919 5.782,920 6.135,921 6.395,922 1,923 32,924 8.514,926 3.471,927 0.026,929 7.399,931 16.997,933 13.957,936 1.899,937 43.667,938 0.001,940 1,941 294.278,942 102.354,943 54.706,948 102.354,949 294.278,950 54.706,951 17.65,952 11.386,953 56.857,954 63.353,955 15.357,956 4.227,957 282.506,959 294.278,960 157.06,964 247.193,965 47.084,968 39.983,969 65.495,970 51.582,972 294.278,973 54.706,974 102.354,977 294.278,978 18.799,979 86.68,980 18.011,981 33.571,982 294.278,983 54.706,984 102.354,986 0.57,987 0.322,988 0.162,989 0.088,990 15,991 6,992 0.098,993 5,995 1,996 3.665,997 172.741,999 18,1000 94.042,1005 16.104,1006 7.673,1007 4.37,1009 54.706,1010 14.171,1011 9.148,1015 3,1017 18.011,1018 451.338,1019 31,1031 48.127,1032 55.56,1034 0.233,1035 0.563,1036 0.768,1037 0.817,1038 0.827,1039 0.827,1040 4.673,1041 1,1042 5.525,1043 2.816,1044 4.205,1045 4.635,1046 1.038,1047 6.248,1048 4.127,1049 5.81,1050 1,1051 7.029,1052 2.452,1053 3.611,1054 4.086,1055 0.325,1056 6.974,1057 3.485,1058 7.059,1059 1,1060 8.631,1061 2.275,1062 5.714,1063 6.627,1064 0.607,1065 10.005,1066 5.551,1067 8.336,1068 0.6,1069 10.292,1070 2.136,1071 5.943,1072 6.856,1073 0.268,1074 11.56,1075 5.725,1076 9.645,1077 -0.351,1078 11.99,1079 1.402,1080 7.483,1081 8.891,1082 0.359,1083 14.063,1084 7.231,1085 10.973,1086 -0.435,1087 13.713,1088 -0.837,1089 8.103,1090 9.508,1091 0.188,1092 15.962,1093 7.795,1094 12.317,1095 -0.84,1096 15.454,1097 -1.07,1098 9.384,1099 11.285,1100 0.214,1101 18.271,1102 9.041,1103 2.929,1104 -0.915,1105 17.207,1106 -1.866,1107 10.206,1108 12.132,1109 0.125,1110 20.328,1111 9.804,1112 2.688,1113 9.216,1114 18.97,1115 -2,1116 11.361,1117 13.751,1118 0.129,1119 22.564,1120 10.922,1121 2.534,1122 8.098,1123 20.739,1124 3.73,1125 12.29,1126 14.746,1127 0.082,1128 24.695,1129 11.792,1130 2.292,1131 7.124,1132 22.514,1133 3.442,1134 13.386,1135 16.263,1136 0.079,1137 26.907,1138 12.845,1139 1.631,1140 6.639,1141 24.294,1142 2.862,1143 14.372,1144 17.357,1145 0.054,1146 29.076,1147 13.773,1148 1.475,1149 4.198,1150 26.077,1151 2.662,1152 15.442,1153 18.805,1154 0.048,1155 31.281,1156 14.797,1157 1.241,1158 3.145,1159 27.864,1160 2.099,1161 16.459,1162 19.967,1163 0.035,1164 33.469,1165 15.756,1166 5953,1167 8272,1168 16.989,1169 31.398,1170 37.031,1171 36.838,1172 37.237,1173 36.791,1174 36.782,1175 45.299,1176 2.915,1177 99.004,1178 35.395,1179 5.177,1180 5.142,1181 5.986,1182 4.935,1183 4.929,1184 6.73,1185 1.457,1186 15.461,1187 4.778,1188 8.904,1189 1.481,1190 1.474,1191 1.489,1192 1.472,1193 1.471,1194 1.812,1195 0.117,1196 3.96,1197 1.416,1198 3.975,1199 4.032,1200 3.904,1201 3.866,1202 4.999,1203 3.863,1204 3.89,1205 3.933,1206 3.805,1207 3.787,1208 4.749,1209 3.784,1210 3.769,1211 3.824,1212 3.678,1213 3.621,1214 4.341,1215 3.635,1216 3.482,1217 3.564,1218 3.31,1219 3.311,1220 4.167,1221 3.298,1222 3.251,1223 3.336,1224 3.106,1225 3.063,1226 4.048,1227 3.062,1228 3.111,1229 3.206,1230 2.866,1231 2.941,1232 3.788,1233 2.91,1234 2.941,1235 3.03,1236 2.781,1237 2.744,1238 3.674,1239 2.746,1240 2.874,1241 3.009,1242 2.687,1243 2.735,1244 3.627,1245 2.715,1246 0.167,1247 0.126,1248 0.247,1249 0.155,1250 0.117,1251 4.177,1252 0.149,1253 3.142,1254 0.032,1255 6.184,1256 0.369,1257 3.863,1258 0.111,1259 2.929,1260 3.73,1261 0.8,1262 9.216,1263 2.778,1264 1.919,1265 1.884,1266 2.098,1267 2.075,1268 1.48,1269 2.08,1270 1.893,1271 1.841,1272 2.042,1273 2.005,1274 1.154,1275 2.02,1276 1.724,1277 1.672,1278 1.855,1279 1.899,1280 1.036,1281 1.894,1282 1.49,1283 1.412,1284 1.765,1285 1.699,1286 0.825,1287 1.73,1288 1.227,1289 1.152,1290 1.513,1291 1.465,1292 0.815,1293 1.477,1294 1.153,1295 1.064,1296 1.488,1297 1.376,1298 0.623,1299 1.429,1300 0.934,1301 0.839,1302 1.417,1303 1.239,1304 0.483,1305 1.308,1306 0.924,1307 0.821,1308 1.234,1309 1.174,1310 0.469,1311 1.201,1312 3.932,1314 5.209,1316 6.686,1318 8.242,1320 9.837,1322 4.649,1328 5.383,1329 3.39,1332 1.614,1333 2.312,1340 28.88,1341 64.199,1342 154.901,1343 211.346,1344 224.856,1345 227.611,1346 227.611,1347 29.54,1348 6.851,1349 41.05,1350 41.05,1351 18,1352 12.027,1353 3.7,1354 2.807,1355 37.021,1356 87,1357 80,1358 0.207,1359 180.458,1360 306.54,1361 432.076,1362 8484,1364 16.071,1365 0.699,1366 0.612,1367 16.071,1368 14.073,1369 11.22,1370 0.449,1371 0.343,1372 8.5,1373 10.926,1374 8.225,1375 6.907,1376 11.22,1377 8.579,1378 9.793,1379 0.297,1380 0.202,1381 9.793,1382 6.65,1383 7.957,1384 0.194,1385 0.115,1386 7.957,1387 4.725,1388 6.253,1389 0.128,1390 0.064,1391 6.253,1392 3.154,1393 5.01,1394 0.082,1395 0.034,1396 5.01,1397 2.083,1398 0.33,1399 69.213,1400 0.243,1401 23.01,1402 0.551,1403 116,1404 255.268,1405 124.132,1406 255.503,1407 359.89,1408 242,1409 132,1410 272.789,1411 140.659,1412 279.157,1413 403.96,1414 263,1415 4.848}
{0 CHEMBL1766139,1 1.361,2 11.304,3 3.496,4 12.219,5 97.539,6 6.489,7 0.48,8 3.944,9 4.095,10 3.405,11 3.43,12 4.898,13 3.388,14 4.51,15 4.738,16 3.693,17 3.799,18 5.39,19 3.722,20 4.756,21 5.022,22 3.694,23 3.932,24 5.523,25 3.809,26 4.793,27 5.083,28 3.565,29 3.886,30 5.539,31 3.734,32 4.736,33 5.034,34 3.503,35 3.829,36 5.478,37 3.675,38 4.628,39 4.921,40 3.418,41 3.732,42 5.383,43 3.584,44 4.502,45 4.798,46 3.321,47 3.602,48 5.275,49 3.464,50 4.349,51 4.629,52 3.215,53 3.502,54 5.132,55 3.368,56 0.053,57 0.742,58 11.52,59 3.998,60 7.906,61 6.262,62 0.287,63 1.157,64 21.099,65 6.406,66 20.613,67 10.243,68 0.253,69 1.342,70 26.862,71 8.248,72 21.071,73 13.407,74 0.316,75 1.314,76 28.072,77 8.38,78 25.802,79 13.69,80 0.293,81 1.221,82 26.425,83 8.197,84 25.346,85 13.183,86 0.212,87 1.106,88 23.629,89 7.2,90 22.279,91 11.782,92 0.231,93 0.976,94 20.931,95 6.152,96 21.697,97 10.131,98 0.163,99 0.859,100 17.804,101 5.452,102 17.865,103 8.886,104 4,105 32,106 0.234,107 0.537,108 0.717,109 0.813,110 0.823,111 0.823,112 3.187,113 1.012,114 -4.47,115 -4.4,116 -4.15,121 37.5,122 1,123 1,127 6,144 6,145 1,147 1,149 1,152 1,176 7,179 3,180 3,183 1,185 2,187 6,191 1,192 1,197 2,200 3,206 2,209 2,211 2,214 1,218 2,219 3,224 1,227 2,232 5,239 2,244 8,247 1,251 1,256 6,269 3,274 1,277 1,281 764,282 16.077,283 16.077,284 16.077,285 16.077,286 16.077,287 14.626,288 23.4,289 9.987,290 16.488,291 12.353,292 12.353,293 12.353,294 12.353,295 12.353,296 10.24,297 38.652,298 4.713,299 13.035,300 4.224,301 2.464,302 1.422,303 0.865,304 0.807,305 0.807,306 3.877,310 1,311 1,312 1,313 555,314 2.55,318 235.811,325 1.909,326 10.759,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 48.5,338 260,339 4.176,340 3.16,341 6.174,342 3.824,343 2.912,344 3.73,345 0.8,346 9.196,347 2.657,348 3.899,349 2.831,350 5.422,351 3.543,352 2.574,353 3.442,354 0.8,355 7.191,356 2.512,357 3.649,358 2.728,359 5.329,360 3.41,361 2.466,362 2.837,363 0.657,364 6.929,365 2.312,366 3.394,367 2.446,368 5.209,369 3.168,370 2.238,371 2.462,373 6.555,374 2.073,375 2.929,376 1.712,377 4.298,378 2.529,379 1.569,380 2.095,382 4.03,383 1.512,384 2.786,385 1.545,386 3.636,387 2.402,388 1.443,389 1.878,391 3.134,392 1.374,393 2.521,394 1.219,395 3.485,396 2.137,397 1.176,398 1.526,400 2.568,401 1.127,402 2.5,403 1.146,404 3.414,405 2,406 1,407 1.5,409 2.275,410 1,411 2.061,412 1.082,413 3.247,414 1.967,415 1,416 1.053,418 2.136,419 0.965,420 2,421 1,422 3.161,423 1.957,424 1,425 1,427 1.817,428 0.954,429 1.821,430 0.789,431 3.073,432 1.537,433 0.601,434 0.712,436 1.402,437 0.561,438 0.986,439 0.019,440 2.491,441 0.842,442 -0.118,443 -0.123,445 -0.218,446 -0.113,447 0.889,448 -0.188,449 2.297,450 0.55,451 -0.411,452 -0.513,454 -0.981,455 -0.393,456 0.607,457 -0.517,458 2,459 0.277,460 -0.668,461 -0.747,463 -1.366,464 -0.628,465 0.553,466 -0.6,467 1.825,468 0.093,469 -0.866,470 -1,472 -1.897,473 -0.829,474 11,475 0.478,476 0.324,477 0.014,478 28.5,479 1.239,480 13,481 0.565,482 15.5,483 0.674,484 18.066,485 0.785,486 25.6,487 0.533,488 17.728,489 0.771,490 5.536,491 0.241,492 5.811,493 0.253,494 0.045,496 0.209,501 1.006,502 1.664,503 0.927,504 1.282,505 0.856,506 1.125,507 1.25,508 1.053,509 1.059,510 0.992,511 0.838,512 1.003,513 1.167,514 1.144,515 1.03,516 1.042,517 0.937,518 1.024,519 1.203,520 0.994,521 1.068,522 0.984,523 1.248,524 1.007,525 1.052,526 0.889,527 0.964,528 0.895,529 1.116,530 0.916,531 1.142,532 1.034,533 0.977,534 0.951,535 1.064,536 0.947,537 1.229,538 0.9,539 0.964,540 0.842,541 1.144,542 0.869,543 1.218,544 1.017,545 1.005,546 0.94,547 1.152,548 0.948,549 3.5,550 0.062,551 1.778,552 0.563,553 0.756,554 0.576,555 0.222,556 0.233,557 0.143,558 0.046,559 6243,560 12391,561 2.119,562 52.1,563 3,564 18,566 1,567 1,569 2,572 1.653,573 2.06,574 3.475,575 -0.326,577 1,582 65.314,583 1.361,584 3.121,585 4.163,586 4.72,587 4.778,588 4.778,589 2.947,590 4.089,591 4.49,592 3.604,593 911.828,594 7.711,595 10748.6,597 1,599 1,600 268.078,601 0.998,602 4.488,603 0.14,604 0.005,605 0.056,606 0.018,607 0.029,608 0.023,609 0.01,610 0.011,611 0.008,612 0.003,613 0.302,614 0.33,615 1,616 0.787,617 109.818,618 0.04,619 -0.369,620 0.077,621 -0.141,622 0.087,623 -0.046,624 0.117,625 0.117,626 -0.029,627 -0.002,628 0.171,629 -0.027,630 -0.042,631 -0.105,632 -0.032,633 -0.066,634 0.011,635 -0.051,636 -0.038,637 -0.006,638 -0.069,639 -0.047,640 -0.091,641 -0.059,642 0.021,643 0.07,644 0.025,645 0.049,646 -0.014,647 0.039,648 -0.081,649 -0.068,650 0.011,651 0.001,652 -0.021,653 0.014,654 -0.054,655 0.076,656 0.037,657 0.088,658 0.009,659 0.075,660 -0.125,661 -0.015,662 -0.013,663 0.024,664 -0.013,665 0.019,666 0.834,667 1.668,668 0.783,669 22.699,670 0.986,671 1.138,672 3.243,673 10.515,674 0.638,675 3.258,676 3.497,677 3.714,678 3.912,679 4.127,680 4.078,681 4.19,682 4.248,683 4.29,684 4.317,685 6.452,686 0.591,687 311.48,688 3.258,689 4.745,690 5.557,691 6.389,692 7.216,693 8.054,694 8.888,695 9.73,696 10.568,697 11.412,698 10.4,701 1,703 1,704 1,708 2,715 7,716 2,720 3,722 12,734 1,736 1,741 48,743 12,744 1,745 25,747 50,748 18,749 10,750 1,751 5,756 3,757 3,763 1,770 1,772 10,773 8,789 1,790 1,793 25,794 5,795 1,796 5,802 5,808 1,823 1,829 3,855 1,859 3,864 1,868 23,876 7,877 1,881 2,901 11.167,902 8.633,903 5.278,904 3.135,907 2.15,908 1.314,909 0.972,910 5.701,911 9.002,912 3.466,913 3.932,914 4.394,915 4.854,916 5.324,917 5.238,918 5.513,919 5.779,920 6.115,921 6.384,922 0.875,923 31,924 8.503,926 3.429,927 0.026,929 7.413,931 16.897,933 13.544,936 1.913,937 44,938 0.001,940 1,941 282.506,942 97.311,943 57.83,948 97.311,949 282.506,950 57.83,951 8.825,952 15.169,953 56.857,954 63.353,955 18.482,956 4.227,957 270.735,959 282.506,960 155.142,964 258.964,965 23.542,968 38.065,969 65.495,970 51.582,972 282.506,973 57.83,974 97.311,977 282.506,978 22.581,979 80.979,980 18.011,981 33.571,982 282.506,983 57.83,984 97.311,986 0.554,987 0.316,988 0.171,989 0.094,990 14,991 5,992 0.12,993 6,995 1,996 3.717,997 170.891,999 18,1000 96.042,1005 16.067,1006 8.161,1007 4.583,1009 57.83,1010 14.138,1011 9.113,1015 2.967,1017 18.011,1018 437.648,1019 31,1031 47.345,1032 54.644,1034 0.244,1035 0.559,1036 0.745,1037 0.845,1038 0.855,1039 0.855,1040 4.654,1041 1,1042 5.476,1043 2.568,1044 4.174,1045 4.615,1046 1.331,1047 6.176,1048 4.065,1049 5.773,1050 1,1051 6.956,1052 2.275,1053 3.434,1054 3.98,1055 0.57,1056 6.823,1057 3.218,1058 7.011,1059 1,1060 8.532,1061 2.136,1062 5.652,1063 6.603,1064 0.831,1065 9.878,1066 5.414,1067 8.279,1068 0.601,1069 10.168,1070 1.817,1071 5.771,1072 6.79,1073 0.479,1074 11.385,1075 5.41,1076 9.581,1077 -0.118,1078 11.844,1079 1.402,1080 7.382,1081 8.867,1082 0.532,1083 13.895,1084 7.003,1085 10.904,1086 -0.411,1087 13.546,1088 -0.218,1089 7.928,1090 9.468,1091 0.346,1092 15.771,1093 7.425,1094 12.245,1095 -0.668,1096 15.267,1097 -0.981,1098 9.247,1099 11.265,1100 0.342,1101 18.086,1102 8.715,1103 2.912,1104 -0.866,1105 17.003,1106 -1.366,1107 10.021,1108 12.107,1109 0.237,1110 20.136,1111 9.369,1112 2.574,1113 9.196,1114 18.75,1115 -1.897,1116 11.196,1117 13.737,1118 0.219,1119 22.38,1120 10.501,1121 2.466,1122 7.191,1123 20.506,1124 3.73,1125 12.095,1126 14.731,1127 0.158,1128 24.515,1129 11.285,1130 2.238,1131 6.929,1132 22.269,1133 3.442,1134 13.201,1135 16.253,1136 0.14,1137 26.735,1138 12.334,1139 1.569,1140 6.555,1141 24.039,1142 2.837,1143 14.169,1144 17.348,1145 0.104,1146 28.911,1147 13.192,1148 1.443,1149 4.03,1150 25.814,1151 2.462,1152 15.243,1153 18.798,1154 0.089,1155 31.126,1156 14.196,1157 1.176,1158 3.134,1159 27.595,1160 2.095,1161 16.25,1162 19.962,1163 0.068,1164 33.323,1165 15.097,1166 6036,1167 8639,1168 17.277,1169 30.643,1170 36.194,1171 35.901,1172 36.578,1173 36.001,1174 35.956,1175 44.468,1176 4.515,1177 94.462,1178 34.097,1179 5.176,1180 5.16,1181 5.976,1182 4.896,1183 4.912,1184 6.73,1185 1.457,1186 15.417,1187 4.657,1188 6.533,1189 1.448,1190 1.436,1191 1.463,1192 1.44,1193 1.438,1194 1.779,1195 0.181,1196 3.778,1197 1.364,1198 3.963,1199 4.022,1200 3.898,1201 3.861,1202 4.999,1203 3.857,1204 3.875,1205 3.924,1206 3.799,1207 3.713,1208 4.749,1209 3.734,1210 3.741,1211 3.806,1212 3.641,1213 3.566,1214 4.351,1215 3.575,1216 3.507,1217 3.589,1218 3.319,1219 3.341,1220 4.162,1221 3.324,1222 3.255,1223 3.341,1224 3.114,1225 3.064,1226 4.044,1227 3.063,1228 3.111,1229 3.206,1230 2.866,1231 2.941,1232 3.811,1233 2.91,1234 3.012,1235 3.115,1236 2.847,1237 2.767,1238 3.674,1239 2.776,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.667,1245 2.715,1246 0.167,1247 0.126,1248 0.247,1249 0.153,1250 0.116,1251 4.176,1252 0.149,1253 3.16,1254 0.032,1255 6.174,1256 0.368,1257 3.824,1258 0.106,1259 2.912,1260 3.73,1261 0.8,1262 9.196,1263 2.657,1264 1.916,1265 1.883,1266 2.045,1267 2.065,1268 1.327,1269 2.054,1270 1.827,1271 1.762,1272 2.015,1273 1.999,1274 1.154,1275 2.012,1276 1.695,1277 1.634,1278 1.868,1279 1.888,1280 1.096,1281 1.884,1282 1.522,1283 1.444,1284 1.78,1285 1.727,1286 0.825,1287 1.76,1288 1.228,1289 1.152,1290 1.513,1291 1.469,1292 0.814,1293 1.479,1294 1.153,1295 1.064,1296 1.488,1297 1.376,1298 0.621,1299 1.429,1300 0.984,1301 0.882,1302 1.35,1303 1.274,1304 0.522,1305 1.303,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.269,1311 1.107,1312 3.932,1314 5.187,1316 6.648,1318 8.194,1320 9.781,1322 2.233,1328 7.381,1329 3.381,1333 4.786,1340 28.375,1341 65.314,1342 149.82,1343 199.839,1344 226.568,1345 229.323,1346 229.323,1347 26.707,1348 6.851,1349 44.29,1350 44.29,1351 18,1352 11.975,1353 3.7,1354 2.807,1355 37.026,1356 88,1357 95,1358 0.204,1359 177.659,1360 300.24,1361 425.249,1362 8569,1364 15.908,1365 0.692,1366 0.599,1367 15.908,1368 13.78,1369 11.348,1370 0.454,1371 0.337,1372 8.319,1373 10.948,1374 8.121,1375 6.779,1376 11.348,1377 8.431,1378 9.444,1379 0.295,1380 0.185,1381 9.444,1382 5.91,1383 7.786,1384 0.195,1385 0.104,1386 7.786,1387 4.154,1388 6.327,1389 0.129,1390 0.059,1391 6.327,1392 2.875,1393 5.136,1394 0.084,1395 0.032,1396 5.136,1397 1.965,1398 0.326,1399 70.59,1400 0.241,1401 23.096,1402 0.54,1403 114,1404 272.913,1405 124.213,1406 269.376,1407 378.03,1408 256,1409 129,1410 283.901,1411 140.213,1412 288.279,1413 418.82,1414 272,1415 4.815}
{0 CHEMBL1766140,1 1.499,2 11.304,3 2.084,4 4.342,5 94.559,6 6.814,7 0.48,8 3.919,9 4.062,10 3.411,11 3.38,12 4.942,13 3.358,14 4.47,15 4.683,16 3.697,17 3.75,18 5.426,19 3.694,20 4.717,21 4.972,22 3.7,23 3.89,24 5.558,25 3.782,26 4.75,27 5.029,28 3.577,29 3.841,30 5.555,31 3.704,32 4.72,33 5.012,34 3.516,35 3.752,36 5.566,37 3.625,38 4.534,39 4.803,40 3.422,41 3.636,42 5.428,43 3.523,44 4.397,45 4.669,46 3.324,47 3.541,48 5.247,49 3.424,50 4.334,51 4.611,52 3.239,53 3.457,54 5.247,55 3.334,56 0.043,57 0.712,58 10.737,59 3.702,60 7.943,61 5.656,62 0.295,63 1.101,64 19.879,65 5.863,66 22.597,67 9.209,68 0.322,69 1.276,70 25.869,71 7.694,72 26.556,73 12.421,74 0.295,75 1.243,76 26.983,77 7.967,78 27.147,79 12.931,80 0.376,81 1.133,82 26.782,83 7.499,84 36.964,85 12.084,86 0.319,87 0.993,88 21.949,89 6.101,90 32.087,91 9.949,92 0.203,93 0.901,94 18.797,95 5.542,96 21.043,97 9.033,98 0.275,99 0.813,100 17.822,101 5.254,102 30.431,103 8.527,104 4,105 32,106 0.26,107 0.574,108 0.72,109 0.821,110 0.831,111 0.831,112 3.187,113 0.965,114 -3.46,115 -3.44,116 -3.29,121 37,127 7,144 6,145 1,147 1,149 1,152 1,176 6,179 3,180 2,183 1,185 2,187 6,191 1,195 1,197 2,200 3,206 2,209 2,211 2,214 1,218 2,219 2,224 1,227 2,232 4,235 1,239 2,244 6,247 1,251 1,256 4,259 2,269 3,281 764,282 16.077,283 16.077,284 16.077,285 16.077,286 16.077,287 14.626,288 22.71,289 9.987,290 16.53,291 12.353,292 12.353,293 12.353,294 12.353,295 12.353,296 10.24,297 37.88,298 4.713,299 13.101,300 4.025,301 2.219,302 1.38,303 0.799,304 0.739,305 0.739,306 3.877,310 1,311 1,312 1,313 555,314 2.55,318 235.811,325 1.909,326 15.186,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 49.5,338 260,339 4.176,340 3.16,341 6.174,342 3.824,343 2.912,344 3.73,345 0.8,346 9.196,347 2.657,348 3.899,349 2.833,350 5.422,351 3.543,352 2.574,353 3.442,354 0.8,355 7.191,356 2.512,357 3.649,358 2.733,359 5.329,360 3.409,361 2.466,362 2.837,363 0.657,364 6.929,365 2.309,366 3.394,367 2.447,368 5.209,369 3.166,370 2.238,371 2.462,373 6.555,374 2.069,375 2.929,376 1.734,377 4.298,378 2.527,379 1.569,380 2.095,382 4.03,383 1.511,384 2.786,385 1.586,386 3.636,387 2.396,388 1.443,389 1.878,391 3.134,392 1.364,393 2.521,394 1.483,395 3.485,396 2.117,397 1.176,398 1.526,400 2.568,401 1.102,402 2.5,403 1.154,404 3.414,405 2,406 1,407 1.5,409 2.275,410 1,411 2.061,412 1.146,413 3.247,414 1.967,415 1,416 1.053,418 2.136,419 0.965,420 2,421 1,422 3.161,423 1.914,424 1,425 1,427 1.817,428 0.908,429 1.821,430 0.789,431 3.073,432 1.537,433 0.601,434 0.712,436 1.402,437 0.561,438 0.986,439 0.237,440 2.491,441 0.8,442 -0.118,443 -0.123,445 -0.218,446 -0.107,447 0.889,448 -0.187,449 2.297,450 0.549,451 -0.411,452 -0.513,454 -0.981,455 -0.393,456 0.607,457 -0.43,458 2,459 0.239,460 -0.668,461 -0.747,463 -1.366,464 -0.606,465 0.553,466 -0.6,467 1.825,468 0.089,469 -0.866,470 -1,472 -1.897,473 -0.827,474 10.833,475 0.471,476 0.324,477 0.014,478 28.75,479 1.25,480 13,481 0.565,482 15.75,483 0.685,484 17.069,485 0.742,486 25.767,487 0.56,488 18.725,489 0.814,490 5.869,491 0.255,492 5.479,493 0.238,494 0.031,496 0.212,501 1.024,502 1.659,503 0.891,504 1.251,505 0.941,506 1.083,507 1.163,508 1.052,509 1.075,510 0.981,511 0.892,512 1.004,513 0.955,514 1.112,515 1.038,516 1.028,517 0.778,518 1.036,519 0.865,520 1.069,521 1.041,522 1.075,523 0.745,524 1.071,525 1.184,526 0.826,527 0.954,528 0.812,529 1.267,530 0.846,531 1.253,532 0.982,533 1.05,534 0.888,535 1.287,536 0.934,537 0.874,538 1.024,539 0.984,540 0.973,541 0.653,542 0.977,543 0.779,544 0.913,545 0.946,546 0.902,547 0.607,548 0.929,549 3.5,550 0.062,551 1.778,552 0.563,553 0.756,554 0.576,555 0.222,556 0.233,557 0.143,558 0.046,559 6243,560 14811,561 2.119,562 50,564 20,566 1,567 2,572 1.653,573 2.06,574 3.475,575 0.321,576 1,577 1,582 68.945,583 1.499,584 3.305,585 4.143,586 4.725,587 4.784,588 4.784,589 2.947,590 4.089,591 4.49,592 3.604,593 911.828,594 7.711,595 10748.6,597 1,599 1,600 254.084,601 0.998,602 4.488,603 0.14,604 0.005,605 0.056,606 0.018,607 0.029,608 0.023,609 0.01,610 0.011,611 0.008,612 0.003,613 0.302,614 0.33,615 1,616 0.787,617 109.818,618 -0.064,619 -0.365,620 0.056,621 -0.114,622 -0.059,623 -0.032,624 -0.036,625 0.132,626 -0.084,627 0.009,628 -0.035,629 -0.041,630 -0.023,631 -0.064,632 -0.064,633 -0.048,634 -0.032,635 -0.061,636 -0.013,637 -0.077,638 -0.07,639 -0.12,640 -0.039,641 -0.104,642 -0.063,643 0.097,644 0.05,645 0.11,646 -0.1,647 0.097,648 -0.108,649 0.002,650 -0.049,651 0.056,652 -0.133,653 0.016,654 -0.043,655 -0.006,656 -0.014,657 -0.01,658 -0.009,659 -0.005,660 0.132,661 0.073,662 0.032,663 0.057,664 0.212,665 0.039,666 1.282,667 3.003,668 0.783,669 22.699,670 0.995,671 1.14,672 2.233,673 4.987,674 0.638,675 3.258,676 3.497,677 3.714,678 3.912,679 4.127,680 4.078,681 4.19,682 4.248,683 4.29,684 4.317,685 6.452,686 0.599,687 313.45,688 3.258,689 4.745,690 5.557,691 6.389,692 7.216,693 8.054,694 8.888,695 9.73,696 10.568,697 11.412,698 10.9,701 1,703 1,704 1,708 2,715 7,716 2,720 3,722 12,734 1,736 1,741 46,743 12,744 1,745 25,747 48,748 17,749 10,750 1,751 5,756 3,757 3,763 1,772 10,773 7,789 1,790 1,793 23,794 6,795 2,796 6,802 5,808 1,809 1,810 1,823 1,829 3,855 1,857 1,859 3,868 23,875 1,876 7,877 1,881 2,893 2.2,894 1,901 11.167,902 7.833,903 5.278,904 2.735,907 2.15,908 1.314,909 0.949,910 5.668,911 9.002,912 3.466,913 3.932,914 4.394,915 4.854,916 5.324,917 5.238,918 5.513,919 5.779,920 6.115,921 6.384,922 0.875,923 31,924 8.487,926 3.454,927 0.026,929 7.587,931 16.599,933 13.3,936 2.087,937 48,941 247.193,942 85.952,943 57.83,945 42.683,948 85.952,949 289.876,950 57.83,952 12.634,953 99.541,954 63.353,955 18.482,956 4.227,957 235.422,959 247.193,960 143.782,961 42.683,964 247.193,966 42.683,968 26.705,969 65.495,970 51.582,972 247.193,973 100.514,974 85.952,977 247.193,978 20.047,979 72.154,980 18.011,981 76.254,982 247.193,983 100.514,984 85.952,986 0.554,987 0.316,988 0.171,989 0.094,990 14,991 5,992 0.125,993 6,995 1,996 3.717,997 170.891,999 18,1000 96.042,1005 16.029,1006 8.133,1007 4.564,1009 100.514,1010 13.973,1011 9.014,1015 2.841,1017 60.694,1018 433.659,1019 31,1031 45.789,1032 52.438,1034 0.271,1035 0.598,1036 0.75,1037 0.855,1038 0.866,1039 0.866,1040 4.654,1041 1,1042 5.476,1043 2.568,1044 4.174,1045 4.615,1046 1.331,1047 6.176,1048 4.058,1049 5.773,1050 1,1051 6.956,1052 2.275,1053 3.434,1054 3.98,1055 0.57,1056 6.823,1057 3.218,1058 7.011,1059 1,1060 8.532,1061 2.136,1062 5.652,1063 6.603,1064 0.831,1065 9.878,1066 5.407,1067 8.279,1068 0.601,1069 10.168,1070 1.817,1071 5.771,1072 6.79,1073 0.479,1074 11.385,1075 5.41,1076 9.581,1077 -0.118,1078 11.844,1079 1.402,1080 7.382,1081 8.867,1082 0.532,1083 13.895,1084 6.997,1085 10.904,1086 -0.411,1087 13.546,1088 -0.218,1089 7.928,1090 9.468,1091 0.346,1092 15.771,1093 7.424,1094 12.245,1095 -0.668,1096 15.267,1097 -0.981,1098 9.247,1099 11.265,1100 0.342,1101 18.086,1102 8.711,1103 2.912,1104 -0.866,1105 17.003,1106 -1.366,1107 10.021,1108 12.107,1109 0.237,1110 20.136,1111 9.367,1112 2.574,1113 9.196,1114 18.75,1115 -1.897,1116 11.196,1117 13.737,1118 0.219,1119 22.38,1120 10.498,1121 2.466,1122 7.191,1123 20.506,1124 3.73,1125 12.095,1126 14.731,1127 0.158,1128 24.515,1129 11.283,1130 2.238,1131 6.929,1132 22.269,1133 3.442,1134 13.201,1135 16.253,1136 0.14,1137 26.735,1138 12.331,1139 1.569,1140 6.555,1141 24.039,1142 2.837,1143 14.169,1144 17.348,1145 0.104,1146 28.911,1147 13.189,1148 1.443,1149 4.03,1150 25.814,1151 2.462,1152 15.243,1153 18.798,1154 0.089,1155 31.126,1156 14.194,1157 1.176,1158 3.134,1159 27.595,1160 2.095,1161 16.25,1162 19.962,1163 0.068,1164 33.323,1165 15.095,1166 6036,1167 9379,1168 17.277,1169 29.336,1170 36.194,1171 36.056,1172 36.578,1173 36.033,1174 35.956,1175 44.468,1176 4.515,1177 94.462,1178 33.917,1179 5.176,1180 5.16,1181 5.976,1182 4.896,1183 4.912,1184 6.73,1185 1.457,1186 15.417,1187 4.657,1188 6.533,1189 1.448,1190 1.442,1191 1.463,1192 1.441,1193 1.438,1194 1.779,1195 0.181,1196 3.778,1197 1.357,1198 3.962,1199 4.02,1200 3.898,1201 3.86,1202 6.456,1203 3.857,1204 3.874,1205 3.922,1206 3.799,1207 3.709,1208 4.999,1209 3.731,1210 3.731,1211 3.796,1212 3.635,1213 3.547,1214 4.749,1215 3.56,1216 3.425,1217 3.494,1218 3.266,1219 3.2,1220 4.32,1221 3.203,1222 3.248,1223 3.332,1224 3.105,1225 3.06,1226 4.153,1227 3.057,1228 3.111,1229 3.206,1230 2.866,1231 2.941,1232 3.858,1233 2.91,1234 2.925,1235 3.009,1236 2.793,1237 2.735,1238 3.708,1239 2.715,1240 2.854,1241 2.925,1242 2.687,1243 2.667,1244 3.674,1245 2.689,1246 0.167,1247 0.126,1248 0.247,1249 0.153,1250 0.116,1251 4.176,1252 0.149,1253 3.16,1254 0.032,1255 6.174,1256 0.368,1257 3.824,1258 0.106,1259 2.912,1260 3.73,1261 0.8,1262 9.196,1263 2.657,1264 1.915,1265 1.883,1266 2.044,1267 2.063,1268 1.31,1269 2.051,1270 1.821,1271 1.757,1272 1.996,1273 1.997,1274 1.154,1275 2.009,1276 1.677,1277 1.617,1278 1.814,1279 1.878,1280 0.948,1281 1.867,1282 1.386,1283 1.316,1284 1.674,1285 1.648,1286 0.825,1287 1.657,1288 1.224,1289 1.149,1290 1.513,1291 1.463,1292 0.809,1293 1.474,1294 1.153,1295 1.064,1296 1.486,1297 1.376,1298 0.616,1299 1.429,1300 0.886,1301 0.821,1302 1.181,1303 1.167,1304 0.34,1305 1.163,1306 0.848,1307 0.765,1308 1.143,1309 1.062,1310 0.218,1311 1.107,1312 3.932,1314 5.187,1316 6.648,1318 8.194,1320 9.781,1327 9.003,1328 5.367,1329 3.348,1333 4.454,1340 27.563,1341 68.945,1342 152.01,1343 190.6,1344 217.329,1345 220.084,1346 220.084,1347 29.21,1348 6.851,1349 64.52,1350 64.52,1351 18,1352 11.975,1353 3.7,1354 2.807,1355 37.026,1356 88,1357 95,1358 0.204,1359 172.063,1360 291.73,1361 411.595,1362 8569,1364 15.908,1365 0.692,1366 0.575,1367 15.908,1368 13.227,1369 11.348,1370 0.454,1371 0.322,1372 7.907,1373 10.861,1374 7.772,1375 6.413,1376 11.348,1377 8.04,1378 9.444,1379 0.295,1380 0.176,1381 9.444,1382 5.633,1383 7.786,1384 0.195,1385 0.101,1386 7.786,1387 4.031,1388 6.327,1389 0.129,1390 0.055,1391 6.327,1392 2.701,1393 5.136,1394 0.084,1395 0.03,1396 5.136,1397 1.842,1398 0.326,1399 71.297,1400 0.241,1401 23.096,1402 0.54,1403 114,1404 305.063,1405 125.653,1406 295.306,1407 405.63,1408 280,1409 129,1410 293.417,1411 141.265,1412 296.943,1413 431.18,1414 280,1415 4.578}
{0 CHEMBL1766141,1 1.477,2 12,3 2.492,4 6.211,5 99.31,6 6.683,7 0.462,8 3.975,9 4.118,10 3.459,11 3.427,12 4.965,13 3.403,14 4.541,15 4.759,16 3.729,17 3.786,18 5.453,19 3.731,20 4.744,21 4.992,22 3.732,23 3.934,24 5.55,25 3.825,26 4.82,27 5.102,28 3.618,29 3.9,30 5.582,31 3.756,32 4.795,33 5.095,34 3.579,35 3.816,36 5.556,37 3.689,38 4.596,39 4.85,40 3.505,41 3.747,42 5.432,43 3.63,44 4.583,45 4.868,46 3.393,47 3.685,48 5.361,49 3.54,50 4.503,51 4.808,52 3.289,53 3.55,54 5.272,55 3.409,56 0.035,57 0.745,58 11.612,59 4.005,60 7.873,61 6.156,62 0.358,63 1.139,64 21.891,65 6.23,66 23.907,67 9.783,68 0.32,69 1.325,70 26.561,71 8.028,72 21.947,73 12.941,74 0.302,75 1.32,76 28.903,77 8.633,78 26.167,79 14.042,80 0.412,81 1.212,82 28.844,83 7.909,84 30.832,85 12.932,86 0.309,87 1.09,88 23.123,89 6.807,90 24.456,91 10.928,92 0.22,93 1.043,94 22.68,95 6.952,96 22.869,97 11.269,98 0.332,99 0.909,100 21.343,101 6.044,102 25.854,103 10.027,104 5,105 33,106 0.253,107 0.549,108 0.724,109 0.817,110 0.827,111 0.827,112 3.227,113 0.972,114 -3.7,115 -3.67,116 -3.49,121 36.7,126 1,127 7,144 6,145 1,147 1,149 1,152 1,176 6,179 3,180 2,183 1,185 2,187 6,191 2,197 2,200 3,206 2,209 2,211 2,214 1,218 2,219 2,224 1,227 2,231 1,232 4,239 2,244 6,247 1,251 1,255 2,256 4,269 3,281 896,282 16.784,283 16.784,284 16.784,285 16.784,286 16.784,287 15.334,288 24.866,289 10.512,290 17.393,291 12.853,292 12.853,293 12.853,294 12.853,295 12.853,296 10.74,297 40.003,298 5.007,299 13.739,300 4.138,301 2.413,302 1.393,303 0.847,304 0.791,305 0.791,306 3.918,310 1,311 1,312 1,313 612,314 2.739,318 250.208,325 2.083,326 13.216,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 51.5,338 288,339 4.176,340 3.161,341 6.174,342 3.824,343 2.912,344 3.73,345 0.86,346 9.196,347 2.657,348 3.899,349 2.836,350 5.422,351 3.543,352 2.574,353 3.442,354 0.8,355 7.193,356 2.512,357 3.65,358 2.741,359 5.331,360 3.411,361 2.468,362 2.837,363 0.8,364 6.936,365 2.311,366 3.399,367 2.452,368 5.21,369 3.17,370 2.241,371 2.467,372 0.657,373 6.558,374 2.072,375 2.93,376 2.108,377 4.3,378 2.534,379 1.591,380 2.095,382 4.043,383 1.513,384 2.792,385 1.698,386 3.637,387 2.427,388 1.476,389 1.882,391 3.135,392 1.388,393 2.558,394 1.536,395 3.492,396 2.244,397 1.354,398 1.57,400 2.666,401 1.198,402 2.5,403 1.167,404 3.419,405 2.033,406 1.102,407 1.5,409 2.483,410 1.02,411 2.347,412 1.146,413 3.414,414 2,415 1,416 1.337,418 2.275,419 1,420 2,421 1,422 3.247,423 1.967,424 1,425 1,427 2.136,428 0.965,429 1.821,430 0.791,431 3.08,432 1.537,433 0.601,434 0.712,436 1.404,437 0.561,438 1.345,439 0.708,440 2.631,441 1.223,442 0.325,443 0.329,445 0.544,446 0.29,447 0.933,448 -0.041,449 2.306,450 0.598,451 -0.345,452 -0.376,454 -0.705,455 -0.322,456 0.778,457 -0.189,458 2.283,459 0.527,460 -0.428,461 -0.522,463 -1.019,464 -0.407,465 0.56,466 -0.5,467 2,468 0.129,469 -0.807,470 -0.978,472 -1.76,473 -0.737,474 11.333,475 0.472,476 0.324,477 0.014,478 29.5,479 1.229,480 13,481 0.542,482 16.5,483 0.688,484 18.353,485 0.765,486 27.067,487 0.552,488 19.463,489 0.811,490 6.108,491 0.254,492 5.74,493 0.239,494 0.044,496 0.203,501 0.964,502 1.723,503 0.888,504 1.342,505 0.816,506 1.137,507 1.509,508 0.977,509 1.098,510 0.889,511 1.127,512 0.937,513 0.983,514 1.161,515 1.079,516 1.078,517 0.931,518 1.083,519 0.838,520 1.103,521 1.023,522 1.09,523 1.037,524 1.073,525 1.234,526 0.754,527 0.921,528 0.721,529 1.174,530 0.769,531 1.254,532 1.079,533 1.134,534 1.017,535 1.262,536 1.055,537 0.758,538 1.061,539 0.962,540 1.029,541 0.905,542 1.014,543 0.798,544 0.763,545 0.856,546 0.738,547 0.783,548 0.782,549 3.5,550 0.07,551 1.778,552 0.563,553 0.756,554 0.576,555 0.242,556 0.26,557 0.143,558 0.046,559 7100,560 16098,561 2.114,562 51,564 23,566 1,567 1,572 1.664,573 2.057,574 3.554,575 -0.301,576 1,577 1,582 72.356,583 1.477,584 3.201,585 4.222,586 4.768,587 4.824,588 4.824,589 3.074,590 3.918,591 4.549,592 3.691,593 1018.76,594 7.83,595 12527.2,597 1,599 1,600 275.121,601 0.974,602 4.551,603 0.135,604 0.005,605 0.054,606 0.018,607 0.028,608 0.021,609 0.01,610 0.012,611 0.007,612 0.003,613 0.292,614 0.5,615 1,616 0.955,617 116.844,618 0.005,619 -0.419,620 0.081,621 -0.189,622 0.085,623 -0.065,624 -0.097,625 0.177,626 -0.067,627 0.088,628 -0.015,629 0.018,630 -0.029,631 -0.084,632 -0.099,633 -0.083,634 -0.05,635 -0.099,636 0.01,637 -0.113,638 -0.052,639 -0.131,640 -0.057,641 -0.103,642 -0.071,643 0.171,644 0.089,645 0.184,646 -0.052,647 0.162,648 -0.123,649 -0.045,650 -0.139,651 -0.039,652 -0.174,653 -0.086,654 0.007,655 -0.08,657 -0.059,658 0.013,659 -0.033,660 0.127,661 0.168,662 0.13,663 0.181,664 0.192,665 0.165,666 0.862,667 1.659,668 0.75,669 26,670 0.993,671 1.14,672 2.471,673 6.104,674 0.635,675 3.296,676 3.526,677 3.738,678 3.932,679 4.159,680 4.111,681 4.22,682 4.304,683 4.369,684 4.369,685 6.813,686 0.594,687 327.48,688 3.296,689 4.779,690 5.587,691 6.415,692 7.241,693 8.076,694 8.909,695 9.749,696 10.587,697 11.429,698 10.2,701 1,703 1,704 1,708 2,715 7,716 2,720 3,722 12,734 1,736 1,741 49,743 12,744 1,745 26,747 51,748 18,749 10,750 1,751 5,756 3,757 3,772 10,773 8,789 1,790 1,793 25,794 6,795 1,796 6,802 5,808 1,809 1,823 1,829 3,855 1,858 1,859 3,864 1,868 24,876 7,877 1,878 1,881 2,893 2,897 1,901 11.667,902 8.8,903 5.528,904 2.885,907 2.145,908 1.309,909 0.961,910 6.27,911 9.086,912 3.497,913 3.951,914 4.407,915 4.862,916 5.334,917 5.249,918 5.521,919 5.791,920 6.133,921 6.399,922 1,923 32,924 8.855,926 3.549,927 0.026,929 7.479,931 17.432,933 13.781,936 1.979,937 47.5,940 1,941 282.506,942 101.427,943 57.83,945 11,948 101.427,949 293.506,950 57.83,951 10.883,952 17.227,953 56.857,954 74.353,955 18.482,956 4.227,957 270.735,959 282.506,960 159.258,961 11,964 282.506,966 11,968 31.297,969 76.378,970 51.582,972 282.506,973 68.83,974 101.427,977 282.506,978 24.639,979 83.037,980 18.011,981 44.571,982 282.506,983 68.83,984 101.427,986 0.552,987 0.311,988 0.166,989 0.095,990 14,991 5,992 0.137,993 7,995 1,996 3.831,997 179.65,999 18,1000 102.039,1005 16.994,1006 8.854,1007 5.076,1009 68.83,1010 14.076,1011 9.096,1015 2.912,1017 18.011,1018 452.764,1019 32,1031 48.672,1032 55.853,1034 0.263,1035 0.57,1036 0.752,1037 0.849,1038 0.859,1039 0.859,1040 4.682,1041 1.102,1042 5.501,1043 2.666,1044 4.205,1045 4.635,1046 1.661,1047 6.192,1048 4.08,1049 5.795,1050 1,1051 6.974,1052 2.483,1053 3.434,1054 3.98,1055 0.57,1056 6.823,1057 3.218,1058 7.028,1059 1,1060 8.546,1061 2.275,1062 5.673,1063 6.611,1064 1.22,1065 9.883,1066 5.42,1067 8.292,1068 0.601,1069 10.178,1070 2.136,1071 5.771,1072 6.79,1073 0.479,1074 11.385,1075 5.41,1076 9.591,1077 0.325,1078 11.85,1079 1.404,1080 7.394,1081 8.87,1082 0.921,1083 13.898,1084 7.004,1085 10.912,1086 -0.345,1087 13.551,1088 0.544,1089 7.928,1090 9.468,1091 0.346,1092 15.772,1093 7.424,1094 12.25,1095 -0.428,1096 15.271,1097 -0.705,1098 9.254,1099 11.266,1100 0.696,1101 18.087,1102 8.715,1103 2.912,1104 -0.807,1105 17.005,1106 -1.019,1107 10.022,1108 12.107,1109 0.237,1110 20.137,1111 9.368,1112 2.574,1113 9.196,1114 18.752,1115 -1.76,1116 11.201,1117 13.737,1118 0.523,1119 22.381,1120 10.501,1121 2.468,1122 7.193,1123 20.507,1124 3.73,1125 12.097,1126 14.731,1127 0.158,1128 24.516,1129 11.284,1130 2.241,1131 6.936,1132 22.27,1133 3.442,1134 13.204,1135 16.253,1136 0.391,1137 26.736,1138 12.333,1139 1.591,1140 6.558,1141 24.04,1142 2.837,1143 14.171,1144 17.348,1145 0.104,1146 28.912,1147 13.191,1148 1.476,1149 4.043,1150 25.815,1151 2.467,1152 15.246,1153 18.798,1154 0.289,1155 31.126,1156 14.195,1157 1.354,1158 3.135,1159 27.596,1160 2.095,1161 16.252,1162 19.962,1163 0.068,1164 33.323,1165 15.096,1166 6883,1167 10458,1168 17.97,1169 31.097,1170 37.295,1171 37.514,1172 37.789,1173 37.302,1174 37.287,1175 45.802,1176 6.235,1177 97.136,1178 34.974,1179 5.176,1180 5.161,1181 6.038,1182 4.896,1183 4.912,1184 6.73,1185 1.72,1186 15.417,1187 4.657,1188 6.806,1189 1.434,1190 1.443,1191 1.453,1192 1.435,1193 1.434,1194 1.762,1195 0.24,1196 3.736,1197 1.345,1198 3.963,1199 4.02,1200 3.898,1201 3.861,1202 4.999,1203 3.857,1204 3.875,1205 3.923,1206 3.799,1207 3.71,1208 4.75,1209 3.732,1210 3.735,1211 3.798,1212 3.639,1213 3.55,1214 4.638,1215 3.563,1216 3.483,1217 3.542,1218 3.327,1219 3.241,1220 4.301,1221 3.25,1222 3.257,1223 3.342,1224 3.119,1225 3.062,1226 4.151,1227 3.062,1228 3.114,1229 3.21,1230 2.918,1231 2.941,1232 3.852,1233 2.91,1234 3.111,1235 3.206,1236 2.866,1237 2.85,1238 3.708,1239 2.847,1240 2.854,1241 2.939,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.161,1247 0.122,1248 0.237,1249 0.147,1250 0.112,1251 4.176,1252 0.143,1253 3.161,1254 0.033,1255 6.174,1256 0.354,1257 3.824,1258 0.102,1259 2.912,1260 3.73,1261 0.86,1262 9.196,1263 2.657,1264 1.915,1265 1.883,1266 2.044,1267 2.063,1268 1.312,1269 2.051,1270 1.822,1271 1.758,1272 1.997,1273 1.998,1274 1.154,1275 2.01,1276 1.679,1277 1.619,1278 1.817,1279 1.882,1280 0.975,1281 1.87,1282 1.427,1283 1.364,1284 1.713,1285 1.703,1286 0.825,1287 1.707,1288 1.227,1289 1.152,1290 1.513,1291 1.474,1292 0.81,1293 1.485,1294 1.153,1295 1.064,1296 1.508,1297 1.389,1298 0.617,1299 1.429,1300 1.102,1301 1.003,1302 1.481,1303 1.376,1304 0.563,1305 1.428,1306 0.886,1307 0.821,1308 1.181,1309 1.095,1310 0.338,1311 1.115,1312 3.97,1314 5.22,1316 6.673,1318 8.213,1320 9.796,1322 1.748,1328 6.488,1329 3.372,1330 5.147,1333 4.661,1340 29.09,1341 72.356,1342 156.863,1343 206.882,1344 233.611,1345 236.366,1346 236.366,1347 28.646,1348 6.941,1349 53.52,1350 53.52,1351 18,1352 11.994,1353 3.7,1354 2.807,1355 39.493,1356 96,1357 110,1358 0.197,1359 181.656,1360 309.03,1361 435,1362 9721,1364 16.615,1365 0.692,1366 0.591,1367 16.615,1368 14.188,1369 11.848,1370 0.456,1371 0.324,1372 8.261,1373 11.281,1374 8.07,1375 6.693,1376 11.848,1377 8.42,1378 9.797,1379 0.297,1380 0.179,1381 9.797,1382 5.903,1383 8.055,1384 0.196,1385 0.103,1386 8.055,1387 4.226,1388 6.411,1389 0.128,1390 0.056,1391 6.411,1392 2.78,1393 5.34,1394 0.085,1395 0.031,1396 5.34,1397 1.962,1398 0.317,1399 74.797,1400 0.236,1401 24.069,1402 0.518,1403 118,1404 320.649,1405 130.427,1406 307.151,1407 421.39,1408 292,1409 133,1410 302.629,1411 146.261,1412 308.459,1413 445.13,1414 288,1415 4.573}
{0 CHEMBL1766142,1 1.474,2 13.643,3 4.871,4 23.727,5 117.684,6 7.576,7 0.581,8 4.042,9 4.174,10 3.637,11 3.604,12 5.065,13 3.568,14 4.583,15 4.778,16 3.972,17 3.988,18 5.56,19 3.923,20 4.841,21 5.07,22 3.975,23 4.124,24 5.708,25 4.008,26 4.9,27 5.173,28 3.796,29 4.046,30 5.698,31 3.9,32 4.811,33 5.089,34 3.773,35 3.99,36 5.606,37 3.862,38 4.734,39 4.976,40 3.75,41 3.975,42 5.585,43 3.842,44 4.733,45 5.012,46 3.69,47 3.893,48 5.531,49 3.747,50 4.584,51 4.855,52 3.622,53 3.767,54 5.42,55 3.626,56 0.031,57 0.79,58 10.618,59 4.43,60 7.306,61 6.198,62 0.265,63 1.289,64 20.85,65 7.276,66 21.737,67 10.343,68 0.244,69 1.531,70 30.266,71 10.207,72 26.222,73 14.596,74 0.346,75 1.555,76 33.601,77 10.652,78 33.62,79 15.582,80 0.316,81 1.443,82 29.191,83 9.697,84 29.166,85 14.29,86 0.247,87 1.343,88 27.705,89 9.216,90 27.153,91 13.341,92 0.252,93 1.298,94 27.775,95 9.224,96 27.305,97 13.509,98 0.235,99 1.072,100 27.998,101 8.216,102 25.97,103 11.727,104 2,105 41,106 0.246,107 0.539,108 0.675,109 0.8,110 0.822,111 0.822,112 3.374,113 0.964,114 -5.62,115 -5.49,116 -5.13,121 42.3,127 6,144 10,145 2,146 1,147 1,149 1,152 1,176 10,179 3,180 3,183 1,185 2,187 12,191 1,192 2,197 2,200 7,206 4,209 2,211 2,214 2,218 2,219 3,224 1,227 2,232 7,239 2,244 10,247 1,251 1,256 8,269 8,274 1,277 1,281 1344,282 19.378,283 19.378,284 19.378,285 19.378,286 19.378,287 17.151,288 27.13,289 11.781,290 19.917,291 15.353,292 15.353,293 15.353,294 15.353,295 15.353,296 12.146,297 43.468,298 5.689,299 16.297,300 4.226,301 2.467,302 1.653,303 0.899,304 0.769,305 0.769,306 4.078,308 1,311 1,312 1,313 835,314 2.55,318 398.809,325 2.357,326 14.334,329 0.75,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.86,337 58.833,338 382,339 4.177,340 3.177,341 6.175,342 3.831,343 2.917,344 3.73,345 0.916,346 9.198,347 2.673,348 4.03,349 3.005,350 5.595,351 3.647,352 2.691,353 3.62,354 0.8,355 7.73,356 2.573,357 3.899,358 2.85,359 5.406,360 3.531,361 2.552,362 3.442,363 0.657,364 7.136,365 2.503,366 3.651,367 2.782,368 5.248,369 3.35,370 2.414,371 2.848,372 0.172,373 6.698,374 2.253,375 3.492,376 2.483,377 5.142,378 3.16,379 2.245,380 2.744,382 6.368,383 2.029,384 3.206,385 2.281,386 4.811,387 2.861,388 1.946,389 2.32,391 5.461,392 1.705,393 2.926,394 1.692,395 4.283,396 2.514,397 1.543,398 2.091,400 3.972,401 1.502,402 2.765,403 1.532,404 3.636,405 2.351,406 1.414,407 1.856,409 3.132,410 1.315,411 2.5,412 1.163,413 3.484,414 2.053,415 1.11,416 1.5,418 2.554,419 1.043,420 2.5,421 1.146,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.477,430 1,431 3.414,432 2,433 1,434 1.471,436 2.275,437 1,438 2,439 1,440 3.247,441 1.967,442 1,443 1,445 2.136,446 0.965,447 1.821,448 0.79,449 3.084,450 1.537,451 0.601,452 0.712,454 1.404,455 0.561,456 1.429,457 0.728,458 2.952,459 1.171,460 0.249,461 0.28,463 0.61,464 0.213,465 0.971,466 0.105,467 2.467,468 0.645,469 -0.257,470 -0.294,472 -0.586,473 -0.202,474 13.714,475 0.49,476 0.499,477 0.018,478 37.75,479 1.348,480 19,481 0.679,482 18.75,483 0.67,484 21.462,485 0.767,486 29.486,487 0.567,488 25.288,489 0.903,490 7.567,491 0.27,492 6.192,493 0.221,494 0.052,496 0.241,501 0.84,502 1.462,503 0.671,504 1.042,505 0.695,506 0.954,507 1.072,508 1,509 0.829,510 0.884,511 0.711,512 0.934,513 1.09,514 1.197,515 1.018,516 1.108,517 0.939,518 1.103,519 1.072,520 1.008,521 0.944,522 0.981,523 1.09,524 1.013,525 0.925,526 0.85,527 0.706,528 0.785,529 0.878,530 0.849,531 0.989,532 1.163,533 1.007,534 1.142,535 1.054,536 1.134,537 0.928,538 0.974,539 0.772,540 0.881,541 0.865,542 0.921,543 1.289,544 0.962,545 1.185,546 0.937,547 1.154,548 0.894,549 5,550 0.115,551 2.222,552 0.813,553 1.098,554 0.556,555 0.342,556 0.406,557 0.168,558 0.076,559 11799,560 29788,561 2.159,562 46.2,564 22,566 1,567 1,572 1.704,573 2.1,574 3.728,575 -0.358,582 76.667,583 1.474,584 3.233,585 4.047,586 4.801,587 4.931,588 4.931,589 3.244,590 4.111,591 4.774,592 3.89,593 1470.56,594 8.27,595 20608.8,597 1,600 296.423,601 1.018,602 4.772,603 0.161,604 0.005,605 0.054,606 0.021,607 0.034,608 0.017,609 0.011,610 0.015,611 0.006,612 0.003,613 0.328,614 0.33,615 0.88,616 0.343,617 144.454,618 -0.004,619 -0.273,620 0.042,621 -0.083,622 0.023,623 -0.019,624 0.034,625 0.157,626 -0.029,627 0.028,628 0.106,629 -0.026,630 -0.084,631 -0.162,632 -0.108,633 -0.152,634 -0.044,635 -0.148,636 -0.053,637 -0.022,638 -0.064,639 -0.05,640 -0.117,641 -0.059,642 -0.006,643 0.144,644 0.066,645 0.134,646 -0.039,647 0.106,648 -0.054,649 -0.157,650 -0.129,651 -0.186,652 -0.15,653 -0.17,654 -0.001,655 -0.008,656 0.075,657 0.059,658 0.018,659 0.047,660 -0.102,661 -0.027,662 0.002,663 0.059,664 0.015,665 0.094,666 0.883,667 1.861,668 0.857,669 34,670 0.994,671 1.127,672 4.394,673 19.308,674 0.683,675 3.466,676 3.738,677 3.951,678 4.159,679 4.407,680 4.344,681 4.477,682 4.605,683 4.691,684 4.796,685 7.791,686 0.639,687 393.96,688 3.466,689 4.977,690 5.796,691 6.637,692 7.469,693 8.313,694 9.15,695 9.995,696 10.836,697 11.682,698 9.6,701 1,703 1,704 1,708 2,715 11,716 2,720 5,722 18,734 1,736 1,740 1,741 52,743 18,744 2,745 31,747 55,748 22,749 16,750 3,751 9,756 4,757 4,758 1,772 16,773 6,793 24,794 5,795 1,796 6,797 1,802 5,808 1,823 1,829 4,855 1,859 4,865 1,868 28,876 6,877 1,881 2,892 1,901 13.333,902 9.11,903 6.194,904 3.101,907 3.046,908 1.402,909 1.003,910 6.299,911 10.614,912 3.714,913 4.241,914 4.721,915 5.196,916 5.696,917 5.569,918 5.791,919 6.075,920 6.393,921 6.71,922 1,923 39,924 10.317,926 4.262,927 0.026,929 7.498,931 20.245,933 16.505,936 1.998,937 55.944,939 1,940 1,941 270.735,942 130.543,943 57.83,944 39.149,948 130.543,949 309.884,950 57.83,952 12.634,953 94.762,954 63.353,955 25.168,956 4.227,957 258.964,958 39.149,959 270.735,960 188.373,962 39.149,964 270.735,968 26.705,969 110.086,970 90.73,972 270.735,973 57.83,974 169.692,977 270.735,978 26.733,979 110.059,980 18.011,981 72.72,982 270.735,983 57.83,984 169.692,986 0.569,987 0.319,988 0.167,989 0.096,990 19,991 7,992 0.109,993 6,995 1,996 4.247,997 229.304,999 24,1000 122.606,1005 19.037,1006 9.264,1007 5.377,1009 57.83,1010 22.184,1011 9.179,1015 4.966,1017 18.011,1018 498.257,1019 40,1031 51.669,1032 58.588,1034 0.259,1035 0.567,1036 0.71,1037 0.842,1038 0.865,1039 0.865,1040 4.916,1041 1.414,1042 5.733,1043 3.972,1044 4.419,1045 4.927,1046 1.465,1047 6.441,1048 4.302,1049 6.068,1050 1.11,1051 7.22,1052 3.132,1053 3.761,1054 4.388,1055 0.57,1056 7.081,1057 3.508,1058 7.323,1059 1,1060 8.799,1061 2.554,1062 5.916,1063 6.975,1064 1.026,1065 10.122,1066 5.683,1067 8.606,1068 1,1069 10.431,1070 2.275,1071 6.066,1072 7.208,1073 0.581,1074 11.587,1075 5.697,1076 9.917,1077 1,1078 12.098,1079 2.275,1080 7.646,1081 9.266,1082 0.758,1083 14.099,1084 7.292,1085 11.247,1086 0.601,1087 13.79,1088 2.136,1089 8.196,1090 9.886,1091 0.515,1092 15.935,1093 7.716,1094 12.591,1095 0.249,1096 15.499,1097 1.404,1098 9.503,1099 11.674,1100 0.581,1101 18.247,1102 9.02,1103 2.917,1104 -0.257,1105 17.222,1106 0.61,1107 10.271,1108 12.524,1109 0.441,1110 20.269,1111 9.672,1112 2.691,1113 9.198,1114 18.956,1115 -0.586,1116 11.44,1117 14.148,1118 0.457,1119 22.505,1120 10.819,1121 2.552,1122 7.73,1123 20.699,1124 3.73,1125 12.331,1126 15.144,1127 0.373,1128 24.62,1129 11.601,1130 2.414,1131 7.136,1132 22.45,1133 3.62,1134 13.432,1135 16.662,1136 0.367,1137 26.831,1138 12.662,1139 2.245,1140 6.698,1141 24.208,1142 3.442,1143 14.391,1144 17.755,1145 0.314,1146 28.993,1147 13.52,1148 1.946,1149 6.368,1150 25.972,1151 2.848,1152 15.459,1153 19.202,1154 0.3,1155 31.198,1156 14.534,1157 1.543,1158 5.461,1159 27.742,1160 2.744,1161 16.458,1162 20.361,1163 0.264,1164 33.385,1165 15.436,1166 11014,1167 17626,1168 21.553,1169 35.5,1170 45.616,1171 45.73,1172 45.716,1173 45.571,1174 45.361,1175 58.23,1176 5.092,1177 121.898,1178 42.67,1179 5.177,1180 5.177,1181 5.977,1182 4.903,1183 4.917,1184 6.73,1185 1.605,1186 15.428,1187 4.673,1188 7.434,1189 1.471,1190 1.475,1191 1.475,1192 1.47,1193 1.463,1194 1.878,1195 0.164,1196 3.932,1197 1.376,1198 3.985,1199 4.038,1200 4.005,1201 3.888,1202 5.002,1203 3.884,1204 3.912,1205 3.947,1206 3.888,1207 3.847,1208 4.937,1209 3.84,1210 3.849,1211 3.893,1212 3.797,1213 3.692,1214 4.749,1215 3.714,1216 3.687,1217 3.75,1218 3.623,1219 3.515,1220 4.394,1221 3.523,1222 3.273,1223 3.357,1224 3.356,1225 3.081,1226 4.238,1227 3.083,1228 3.175,1229 3.246,1230 3.123,1231 3.031,1232 4.143,1233 3.019,1234 3.111,1235 3.206,1236 2.903,1237 2.941,1238 3.834,1239 2.91,1240 2.854,1241 2.925,1242 2.866,1243 2.735,1244 3.688,1245 2.715,1246 0.135,1247 0.102,1248 0.199,1249 0.124,1250 0.094,1251 4.177,1252 0.12,1253 3.177,1254 0.03,1255 6.175,1256 0.297,1257 3.831,1258 0.086,1259 2.917,1260 3.73,1261 0.916,1262 9.198,1263 2.673,1264 1.921,1265 1.89,1266 2.047,1267 2.072,1268 1.316,1269 2.064,1270 1.912,1271 1.882,1272 2.037,1273 2.009,1274 1.154,1275 2.021,1276 1.796,1277 1.74,1278 1.933,1279 1.948,1280 1.109,1281 1.953,1282 1.646,1283 1.585,1284 1.796,1285 1.834,1286 0.825,1287 1.833,1288 1.236,1289 1.161,1290 1.513,1291 1.479,1292 0.818,1293 1.487,1294 1.155,1295 1.093,1296 1.49,1297 1.376,1298 0.654,1299 1.429,1300 1.153,1301 1.064,1302 1.403,1303 1.363,1304 0.603,1305 1.386,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.276,1311 1.107,1312 4.143,1314 5.425,1316 6.901,1318 8.455,1320 10.046,1323 5.972,1328 5.545,1329 3.387,1333 4.712,1340 33.203,1341 76.667,1342 168.13,1343 210.449,1344 249.668,1345 256.423,1346 256.423,1347 33.591,1348 7.568,1349 44.29,1350 44.29,1351 24,1352 12.244,1353 4.248,1354 3.322,1355 42.742,1356 130,1357 130,1358 0.156,1359 208.186,1360 353.47,1361 499.734,1362 22628,1363 1.9,1364 19.184,1365 0.685,1366 0.59,1367 19.684,1368 16.516,1369 13.759,1370 0.444,1371 0.321,1372 9.506,1373 13.055,1374 9.273,1375 7.661,1376 14.048,1377 9.965,1378 12.017,1379 0.293,1380 0.181,1381 12.425,1382 7.407,1383 9.891,1384 0.194,1385 0.102,1386 10.18,1387 5.186,1388 7.902,1389 0.125,1390 0.055,1391 8.068,1392 3.468,1393 6.758,1394 0.083,1395 0.032,1396 6.993,1397 2.574,1398 0.254,1399 88.234,1400 0.215,1401 27.564,1402 0.405,1403 144,1404 363.117,1405 169.733,1406 390.636,1407 533.07,1408 368,1409 164,1410 372.764,1411 185.138,1412 390.914,1413 566.23,1414 368,1415 4.695}
{0 CHEMBL1766143,1 1.474,2 13.643,3 4.955,4 24.552,5 120.502,6 8.431,7 0.581,8 4.04,9 4.172,10 3.73,11 3.617,12 5.051,13 3.574,14 4.581,15 4.776,16 4.103,17 4.006,18 5.539,19 3.93,20 4.838,21 5.068,22 4.116,23 4.146,24 5.681,25 4.017,26 4.898,27 5.171,28 3.888,29 4.061,30 5.681,31 3.906,32 4.81,33 5.088,34 3.855,35 4,36 5.599,37 3.866,38 4.731,39 4.974,40 3.86,41 3.988,42 5.564,43 3.848,44 4.732,45 5.011,46 3.86,47 3.913,48 5.514,49 3.757,50 4.579,51 4.849,52 3.83,53 3.806,54 5.377,55 3.642,56 0.037,57 0.789,58 9.555,59 4.5,60 7.414,61 6.192,62 0.269,63 1.302,64 20.431,65 7.518,66 20.981,67 10.39,68 0.238,69 1.557,70 35.304,71 10.864,72 23.131,73 14.83,74 0.336,75 1.585,76 39.204,77 11.282,78 30.742,79 15.798,80 0.314,81 1.462,82 30.344,83 9.994,84 28.126,85 14.357,86 0.225,87 1.366,88 32.982,89 9.635,90 24.545,91 13.478,92 0.25,93 1.323,94 29.964,95 9.676,96 26.472,97 13.657,98 0.213,99 1.11,100 39.913,101 9.274,102 22.359,103 12.176,104 2,105 41,106 0.246,107 0.539,108 0.675,109 0.8,110 0.822,111 0.822,112 3.374,113 1.005,114 -5.73,115 -5.6,116 -5.22,119 1,121 42.3,127 6,144 10,145 2,146 1,147 1,149 1,152 1,176 10,179 3,180 3,183 1,185 2,187 12,191 1,192 2,197 2,200 7,206 4,209 2,211 2,214 2,218 2,219 3,224 1,227 2,232 7,239 2,244 10,247 1,251 1,256 8,269 8,274 1,277 1,281 1344,282 19.378,283 19.378,284 19.378,285 19.378,286 19.378,287 17.151,288 27.173,289 11.781,290 19.945,291 15.353,292 15.353,293 15.353,294 15.353,295 15.353,296 12.146,297 43.503,298 5.689,299 16.355,300 4.226,301 2.467,302 1.653,303 0.899,304 0.769,305 0.769,306 4.078,311 1,312 1,313 835,314 2.55,318 398.809,325 2.357,326 13.039,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 58.25,338 382,339 4.177,340 3.177,341 6.175,342 3.831,343 2.917,344 3.73,345 0.916,346 9.198,347 2.672,348 4.03,349 2.993,350 5.595,351 3.645,352 2.691,353 3.62,354 0.8,355 7.73,356 2.569,357 3.899,358 2.834,359 5.406,360 3.53,361 2.552,362 3.442,363 0.657,364 7.136,365 2.502,366 3.651,367 2.775,368 5.248,369 3.348,370 2.414,371 2.848,372 0.172,373 6.698,374 2.249,375 3.492,376 2.482,377 5.142,378 3.156,379 2.245,380 2.744,382 6.368,383 2.018,384 3.206,385 2.277,386 4.811,387 2.852,388 1.946,389 2.32,391 5.461,392 1.652,393 2.926,394 1.692,395 4.283,396 2.514,397 1.543,398 2.091,400 3.972,401 1.501,402 2.765,403 1.532,404 3.636,405 2.351,406 1.414,407 1.856,409 3.132,410 1.313,411 2.5,412 1.162,413 3.484,414 2.053,415 1.11,416 1.5,418 2.554,419 1.042,420 2.5,421 1.146,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.477,430 1,431 3.414,432 2,433 1,434 1.471,436 2.275,437 1,438 2,439 1,440 3.247,441 1.967,442 1,443 1,445 2.136,446 0.965,447 1.821,448 0.79,449 3.084,450 1.537,451 0.601,452 0.712,454 1.404,455 0.561,456 1.429,457 0.712,458 2.952,459 1.165,460 0.249,461 0.28,463 0.61,464 0.203,465 0.971,466 0.094,467 2.467,468 0.637,469 -0.257,470 -0.294,472 -0.586,473 -0.181,474 14.333,475 0.512,476 0.499,477 0.018,478 37.5,479 1.339,480 19,481 0.679,482 18.5,483 0.661,484 22.917,485 0.818,486 28.867,487 0.555,488 23.833,489 0.851,490 7.295,491 0.261,492 6.464,493 0.231,494 0.093,496 0.23,501 0.911,502 1.436,503 0.514,504 0.933,505 0.779,506 0.929,507 1.172,508 0.975,509 0.613,510 0.804,511 0.808,512 0.91,513 1.127,514 1.188,515 0.9,516 1.065,517 0.976,518 1.094,519 1.15,520 1.007,521 0.726,522 0.932,523 1.227,524 1.003,525 1.057,526 0.837,527 0.374,528 0.691,529 1.089,530 0.824,531 1.059,532 1.183,533 0.814,534 1.101,535 1.154,536 1.127,537 1.018,538 0.952,539 0.538,540 0.793,541 0.996,542 0.896,543 1.2,544 0.973,545 1.494,546 1.054,547 0.933,548 0.927,549 5,550 0.115,551 2.222,552 0.813,553 1.098,554 0.556,555 0.342,556 0.406,557 0.168,558 0.076,559 11799,560 29788,561 2.159,562 46.2,564 22,566 1,567 1,572 1.704,573 2.1,574 3.728,575 -0.358,582 76.667,583 1.474,584 3.233,585 4.047,586 4.801,587 4.931,588 4.931,589 3.244,590 4.111,591 4.774,592 3.89,593 1470.56,594 8.27,595 20608.8,597 1,600 296.423,601 1.018,602 4.772,603 0.161,604 0.005,605 0.054,606 0.021,607 0.034,608 0.017,609 0.011,610 0.015,611 0.006,612 0.003,613 0.328,614 0.33,615 0.88,616 0.343,617 144.454,618 0.006,619 -0.266,620 0.01,621 -0.07,622 0.047,623 -0.018,624 0.05,625 0.173,626 0.001,627 0.043,628 0.114,629 -0.019,630 -0.081,631 -0.157,632 -0.06,633 -0.134,634 -0.053,635 -0.146,636 -0.048,637 -0.02,638 -0.039,639 -0.047,640 -0.13,641 -0.059,642 -0.01,643 0.156,644 0.048,645 0.134,646 -0.057,647 0.109,648 -0.075,649 -0.18,650 -0.069,651 -0.188,652 -0.173,653 -0.173,654 -0.007,655 0.014,656 0.063,657 0.083,658 0.017,659 0.058,660 -0.08,661 -0.029,662 -0.068,663 0.027,664 0.108,665 0.081,666 0.86,667 1.71,668 0.857,669 34,670 0.992,671 1.125,672 4.5,673 20.251,674 0.692,675 3.466,676 3.738,677 3.951,678 4.159,679 4.407,680 4.344,681 4.477,682 4.605,683 4.691,684 4.796,685 7.791,686 0.642,687 438.41,688 3.466,689 4.977,690 5.796,691 6.637,692 7.469,693 8.313,694 9.15,695 9.995,696 10.836,697 11.682,698 9.6,701 1,703 1,704 1,708 2,715 11,716 2,720 5,722 18,734 1,736 1,740 1,741 52,743 18,744 2,745 31,746 1,747 55,748 22,749 16,750 3,751 9,756 4,757 4,772 16,773 6,793 24,794 5,795 1,796 6,797 1,802 5,808 1,823 1,829 4,855 1,859 4,863 1,868 28,876 6,877 1,881 2,892 1,901 13.333,902 9.11,903 6.194,904 3.101,907 3.046,908 1.402,909 1.008,910 6.451,911 10.614,912 3.714,913 4.241,914 4.721,915 5.196,916 5.696,917 5.569,918 5.791,919 6.075,920 6.393,921 6.71,922 1,923 39,924 10.325,926 4.251,927 0.026,929 7.449,931 20.355,933 16.59,936 1.949,937 54.583,940 1,941 270.735,942 130.097,943 103.785,948 176.051,949 270.735,950 57.83,952 12.634,953 94.762,954 63.353,955 24.722,956 4.227,957 258.964,958 45.954,959 270.735,960 187.928,963 45.954,964 270.735,968 26.705,969 109.641,970 51.582,971 45.954,972 270.735,973 57.83,974 176.051,977 270.735,978 26.287,979 110.059,980 63.965,981 33.571,982 270.735,983 57.83,984 176.051,986 0.569,987 0.319,988 0.167,989 0.096,990 19,991 7,992 0.109,993 6,995 1,996 4.247,997 229.304,999 24,1000 122.606,1005 19.223,1006 9.397,1007 5.468,1009 57.83,1010 22.693,1011 9.198,1015 5.385,1017 18.011,1018 504.617,1019 40,1031 51.574,1032 58.485,1034 0.259,1035 0.567,1036 0.71,1037 0.842,1038 0.865,1039 0.865,1040 4.916,1041 1.414,1042 5.733,1043 3.972,1044 4.419,1045 4.927,1046 1.465,1047 6.441,1048 4.297,1049 6.068,1050 1.11,1051 7.22,1052 3.132,1053 3.761,1054 4.388,1055 0.57,1056 7.081,1057 3.49,1058 7.323,1059 1,1060 8.799,1061 2.554,1062 5.916,1063 6.975,1064 1.026,1065 10.122,1066 5.675,1067 8.606,1068 1,1069 10.431,1070 2.275,1071 6.066,1072 7.208,1073 0.581,1074 11.587,1075 5.682,1076 9.917,1077 1,1078 12.098,1079 2.275,1080 7.646,1081 9.266,1082 0.758,1083 14.099,1084 7.284,1085 11.247,1086 0.601,1087 13.79,1088 2.136,1089 8.196,1090 9.886,1091 0.515,1092 15.935,1093 7.704,1094 12.591,1095 0.249,1096 15.499,1097 1.404,1098 9.503,1099 11.674,1100 0.581,1101 18.247,1102 9.011,1103 2.917,1104 -0.257,1105 17.222,1106 0.61,1107 10.271,1108 12.524,1109 0.441,1110 20.269,1111 9.661,1112 2.691,1113 9.198,1114 18.956,1115 -0.586,1116 11.44,1117 14.148,1118 0.457,1119 22.505,1120 10.81,1121 2.552,1122 7.73,1123 20.699,1124 3.73,1125 12.331,1126 15.144,1127 0.373,1128 24.62,1129 11.591,1130 2.414,1131 7.136,1132 22.45,1133 3.62,1134 13.432,1135 16.662,1136 0.367,1137 26.831,1138 12.653,1139 2.245,1140 6.698,1141 24.208,1142 3.442,1143 14.391,1144 17.755,1145 0.314,1146 28.993,1147 13.509,1148 1.946,1149 6.368,1150 25.972,1151 2.848,1152 15.459,1153 19.202,1154 0.3,1155 31.198,1156 14.524,1157 1.543,1158 5.461,1159 27.742,1160 2.744,1161 16.458,1162 20.361,1163 0.264,1164 33.385,1165 15.425,1166 11014,1167 17626,1168 21.553,1169 35.995,1170 45.616,1171 45.686,1172 45.716,1173 45.612,1174 45.361,1175 58.23,1176 5.092,1177 121.898,1178 42.497,1179 5.177,1180 5.177,1181 5.977,1182 4.903,1183 4.917,1184 6.73,1185 1.605,1186 15.428,1187 4.672,1188 7.434,1189 1.471,1190 1.474,1191 1.475,1192 1.471,1193 1.463,1194 1.878,1195 0.164,1196 3.932,1197 1.371,1198 3.984,1199 4.038,1200 6.88,1201 3.899,1202 5,1203 3.887,1204 3.911,1205 3.946,1206 3.906,1207 3.851,1208 4.756,1209 3.842,1210 3.848,1211 3.892,1212 3.811,1213 3.693,1214 4.74,1215 3.715,1216 3.686,1217 3.75,1218 3.759,1219 3.518,1220 4.31,1221 3.524,1222 3.273,1223 3.357,1224 3.561,1225 3.099,1226 4.152,1227 3.086,1228 3.172,1229 3.245,1230 3.137,1231 3.05,1232 3.891,1233 3.026,1234 3.111,1235 3.206,1236 2.976,1237 2.941,1238 3.766,1239 2.91,1240 2.854,1241 2.925,1242 2.866,1243 2.735,1244 3.674,1245 2.715,1246 0.135,1247 0.102,1248 0.199,1249 0.124,1250 0.094,1251 4.177,1252 0.12,1253 3.177,1254 0.03,1255 6.175,1256 0.297,1257 3.831,1258 0.086,1259 2.917,1260 3.73,1261 0.916,1262 9.198,1263 2.672,1264 1.922,1265 1.892,1266 2.046,1267 2.071,1268 1.317,1269 2.064,1270 1.913,1271 1.882,1272 2.034,1273 2.008,1274 1.154,1275 2.021,1276 1.796,1277 1.74,1278 1.928,1279 1.946,1280 1.116,1281 1.951,1282 1.646,1283 1.585,1284 1.795,1285 1.832,1286 0.825,1287 1.833,1288 1.236,1289 1.162,1290 1.513,1291 1.479,1292 0.818,1293 1.486,1294 1.157,1295 1.095,1296 1.49,1297 1.376,1298 0.661,1299 1.429,1300 1.153,1301 1.064,1302 1.395,1303 1.359,1304 0.605,1305 1.384,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.279,1311 1.107,1312 4.143,1314 5.425,1316 6.901,1318 8.455,1320 10.046,1321 3.495,1328 5.665,1329 3.394,1333 4.753,1340 33.4,1341 76.667,1342 168.13,1343 210.449,1344 249.668,1345 256.423,1346 256.423,1347 32.665,1348 7.568,1349 44.29,1350 44.29,1351 24,1352 12.244,1353 4.248,1354 3.322,1355 42.742,1356 130,1357 130,1358 0.156,1359 211.767,1360 357.54,1361 508.472,1362 22628,1363 1.9,1364 19.184,1365 0.685,1366 0.62,1367 20.184,1368 17.346,1369 13.759,1370 0.444,1371 0.335,1372 9.524,1373 12.79,1374 9.273,1375 7.661,1376 14.337,1377 10.38,1378 12.017,1379 0.293,1380 0.192,1381 12.833,1382 7.886,1383 9.891,1384 0.194,1385 0.107,1386 10.469,1387 5.463,1388 7.902,1389 0.125,1390 0.057,1391 8.235,1392 3.606,1393 6.758,1394 0.083,1395 0.034,1396 7.229,1397 2.752,1398 0.254,1399 93.43,1400 0.215,1401 27.564,1402 0.405,1403 144,1404 355.568,1405 220.084,1406 390.636,1407 533.07,1408 368,1409 164,1410 369.635,1411 203.643,1412 390.914,1413 566.23,1414 368,1415 4.593}
{0 CHEMBL1766144,1 1.474,2 13.643,3 4.412,4 19.467,5 113.096,6 7.26,7 0.581,8 4.045,9 4.18,10 3.6,11 3.578,12 5.105,13 3.555,14 4.587,15 4.785,16 3.919,17 3.953,18 5.618,19 3.905,20 4.847,21 5.081,22 3.918,23 4.082,24 5.783,25 3.987,26 4.904,27 5.181,28 3.759,29 4.017,30 5.745,31 3.886,32 4.813,33 5.091,34 3.741,35 3.973,36 5.627,37 3.852,38 4.739,39 4.986,40 3.706,41 3.951,42 5.642,43 3.83,44 4.737,45 5.018,46 3.619,47 3.855,48 5.576,49 3.726,50 4.595,51 4.876,52 3.533,53 3.689,54 5.534,55 3.59,56 0.019,57 0.87,58 10.896,59 4.499,60 6.718,61 6.206,62 0.254,63 1.393,64 20.735,65 7.243,66 23.073,67 10.228,68 0.256,69 1.67,70 28.365,71 9.833,72 35.037,73 14.071,74 0.367,75 1.607,76 31.638,77 10.132,78 42.198,79 15.1,80 0.32,81 1.448,82 28.651,83 9.362,84 32.411,85 14.134,86 0.293,87 1.437,88 25.844,89 8.924,90 34.904,91 13.036,92 0.253,93 1.355,94 26.706,95 8.8,96 30.613,97 13.165,98 0.281,99 1.256,100 23.882,101 7.551,102 38.689,103 10.728,104 2,105 41,106 0.246,107 0.539,108 0.675,109 0.8,110 0.822,111 0.822,112 3.374,113 0.928,114 -5.52,115 -5.39,116 -5.03,121 42.3,127 6,144 10,145 2,146 1,147 1,149 1,152 1,176 10,179 3,180 3,183 1,185 2,187 10,191 1,192 2,197 2,200 5,206 4,209 2,211 2,214 1,218 2,219 3,224 1,227 2,232 6,239 2,244 10,247 1,251 1,256 8,269 7,274 1,277 1,281 1344,282 19.378,283 19.378,284 19.378,285 19.378,286 19.378,287 17.151,288 27.157,289 11.781,290 19.843,291 15.353,292 15.353,293 15.353,294 15.353,295 15.353,296 12.146,297 43.489,298 5.689,299 16.147,300 4.226,301 2.467,302 1.653,303 0.899,304 0.769,305 0.769,306 4.078,311 1,312 1,313 835,314 2.55,318 398.809,325 2.357,326 19.815,328 1,329 0.75,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.86,337 60,338 382,339 4.177,340 3.177,341 6.175,342 3.831,343 2.917,344 3.73,345 0.916,346 9.198,347 2.676,348 4.03,349 2.997,350 5.595,351 3.654,352 2.691,353 3.62,354 0.8,355 7.73,356 2.59,357 3.899,358 2.84,359 5.406,360 3.532,361 2.552,362 3.442,363 0.657,364 7.136,365 2.506,366 3.651,367 2.778,368 5.248,369 3.36,370 2.414,371 2.848,372 0.172,373 6.698,374 2.269,375 3.492,376 2.482,377 5.142,378 3.176,379 2.245,380 2.744,382 6.368,383 2.077,384 3.206,385 2.278,386 4.811,387 2.889,388 1.946,389 2.32,391 5.461,392 1.82,393 2.926,394 1.692,395 4.283,396 2.514,397 1.543,398 2.091,400 3.972,401 1.503,402 2.765,403 1.532,404 3.636,405 2.352,406 1.414,407 1.856,409 3.132,410 1.318,411 2.5,412 1.162,413 3.484,414 2.053,415 1.11,416 1.5,418 2.554,419 1.044,420 2.5,421 1.146,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.477,430 1,431 3.414,432 2,433 1,434 1.471,436 2.275,437 1,438 2,439 1,440 3.247,441 1.967,442 1,443 1,445 2.136,446 0.965,447 1.821,448 0.79,449 3.084,450 1.537,451 0.601,452 0.712,454 1.404,455 0.561,456 1.429,457 0.718,458 2.952,459 1.192,460 0.249,461 0.28,463 0.61,464 0.232,465 0.971,466 0.098,467 2.467,468 0.676,469 -0.257,470 -0.294,472 -0.586,473 -0.235,474 13.286,475 0.474,476 0.499,477 0.018,478 37.75,479 1.348,480 19,481 0.679,482 18.75,483 0.67,484 20.697,485 0.739,486 29.914,487 0.575,488 26.054,489 0.93,490 7.698,491 0.275,492 6.062,493 0.216,494 0.022,496 0.248,499 1,501 0.713,502 1.309,503 0.786,504 1.127,505 0.547,506 0.994,507 0.892,508 0.97,509 0.979,510 0.97,511 0.572,512 0.975,513 1.015,514 1.136,515 1.081,516 1.126,517 0.867,518 1.113,519 0.922,520 0.91,521 1.053,522 0.978,523 0.795,524 1.017,525 0.686,526 0.74,527 0.905,528 0.837,529 0.465,530 0.88,531 0.872,532 0.991,533 1.103,534 1.104,535 0.84,536 1.13,537 0.765,538 0.917,539 0.929,540 0.958,541 0.609,542 0.96,543 1.428,544 1.077,545 0.97,546 0.856,547 1.493,548 0.844,549 5,550 0.115,551 2.222,552 0.813,553 1.098,554 0.556,555 0.342,556 0.406,557 0.168,558 0.076,559 11799,560 29788,561 2.159,562 46.2,564 22,566 1,567 1,572 1.704,573 2.1,574 3.728,575 -0.358,577 1,582 76.667,583 1.474,584 3.233,585 4.047,586 4.801,587 4.931,588 4.931,589 3.244,590 4.111,591 4.774,592 3.89,593 1470.56,594 8.27,595 20608.8,597 1,599 1,600 296.423,601 1.018,602 4.772,603 0.161,604 0.005,605 0.054,606 0.021,607 0.034,608 0.017,609 0.011,610 0.015,611 0.006,612 0.003,613 0.328,614 0.33,615 0.88,616 0.343,617 144.454,618 -0.013,619 -0.229,620 0.064,621 -0.091,622 -0.004,623 -0.019,624 0.011,625 0.069,626 -0.056,627 -0.016,628 0.061,629 -0.042,630 -0.079,631 -0.143,632 -0.124,633 -0.155,634 -0.026,635 -0.148,636 -0.053,637 -0.024,638 -0.067,639 -0.044,640 -0.066,641 -0.055,643 0.078,644 0.062,645 0.1,646 -0.006,647 0.094,648 -0.025,649 -0.051,650 -0.147,651 -0.131,652 -0.08,653 -0.154,654 0.005,655 -0.074,656 0.051,657 -0.012,658 0.013,659 0.02,660 -0.12,661 -0.025,662 0.076,663 0.104,664 -0.083,665 0.12,666 1.855,667 5.049,668 0.857,669 34,670 0.997,671 1.134,672 4.287,673 18.38,674 0.665,675 3.466,676 3.738,677 3.951,678 4.159,679 4.407,680 4.344,681 4.477,682 4.605,683 4.691,684 4.796,685 7.791,686 0.63,687 377.51,688 3.466,689 4.977,690 5.796,691 6.637,692 7.469,693 8.313,694 9.15,695 9.995,696 10.836,697 11.682,698 9.6,701 1,703 1,704 1,708 2,715 11,716 2,720 5,722 18,734 1,736 1,740 1,741 52,743 18,744 2,745 31,747 55,748 22,749 16,750 3,751 9,756 4,757 4,772 16,773 6,790 1,791 1,793 24,794 6,795 1,796 6,802 5,808 1,823 1,829 4,855 1,859 4,866 1,868 28,876 6,877 1,881 2,892 1,901 13.333,902 9.11,903 6.194,904 3.101,907 3.046,908 1.402,909 1.005,910 6.03,911 10.614,912 3.714,913 4.241,914 4.721,915 5.196,916 5.696,917 5.569,918 5.791,919 6.075,920 6.393,921 6.71,922 1,923 39,924 10.346,926 4.319,927 0.026,929 7.637,931 20.105,933 16.397,936 2.137,937 59.833,939 1,940 1,941 270.735,942 136.163,943 57.83,946 14.96,948 136.163,949 270.735,950 72.791,952 12.634,953 94.762,954 63.353,955 30.788,956 19.187,957 258.964,959 270.735,960 193.994,961 14.96,964 285.695,968 26.705,969 115.707,970 51.582,972 285.695,973 57.83,974 136.163,977 270.735,978 32.353,979 110.059,980 18.011,981 48.531,982 270.735,983 72.791,984 136.163,986 0.569,987 0.319,988 0.167,989 0.096,990 19,991 7,992 0.109,993 6,995 1,996 4.247,997 229.304,999 24,1000 122.606,1005 18.702,1006 9.027,1007 5.213,1009 72.791,1010 20.729,1011 9.125,1015 3.767,1017 18.011,1018 479.689,1019 40,1031 51.858,1032 58.983,1034 0.259,1035 0.567,1036 0.71,1037 0.842,1038 0.865,1039 0.865,1040 4.916,1041 1.414,1042 5.733,1043 3.972,1044 4.419,1045 4.927,1046 1.465,1047 6.441,1048 4.318,1049 6.068,1050 1.11,1051 7.22,1052 3.132,1053 3.761,1054 4.388,1055 0.57,1056 7.081,1057 3.561,1058 7.323,1059 1,1060 8.799,1061 2.554,1062 5.916,1063 6.975,1064 1.026,1065 10.122,1066 5.708,1067 8.606,1068 1,1069 10.431,1070 2.275,1071 6.066,1072 7.208,1073 0.581,1074 11.587,1075 5.748,1076 9.917,1077 1,1078 12.098,1079 2.275,1080 7.646,1081 9.266,1082 0.758,1083 14.099,1084 7.323,1085 11.247,1086 0.601,1087 13.79,1088 2.136,1089 8.196,1090 9.886,1091 0.515,1092 15.935,1093 7.763,1094 12.591,1095 0.249,1096 15.499,1097 1.404,1098 9.503,1099 11.674,1100 0.581,1101 18.247,1102 9.054,1103 2.917,1104 -0.257,1105 17.222,1106 0.61,1107 10.271,1108 12.524,1109 0.441,1110 20.269,1111 9.717,1112 2.691,1113 9.198,1114 18.956,1115 -0.586,1116 11.44,1117 14.148,1118 0.457,1119 22.505,1120 10.857,1121 2.552,1122 7.73,1123 20.699,1124 3.73,1125 12.331,1126 15.144,1127 0.373,1128 24.62,1129 11.646,1130 2.414,1131 7.136,1132 22.45,1133 3.62,1134 13.432,1135 16.662,1136 0.367,1137 26.831,1138 12.703,1139 2.245,1140 6.698,1141 24.208,1142 3.442,1143 14.391,1144 17.755,1145 0.314,1146 28.993,1147 13.566,1148 1.946,1149 6.368,1150 25.972,1151 2.848,1152 15.459,1153 19.202,1154 0.3,1155 31.198,1156 14.579,1157 1.543,1158 5.461,1159 27.742,1160 2.744,1161 16.458,1162 20.361,1163 0.264,1164 33.385,1165 15.484,1166 11014,1167 17626,1168 21.553,1169 34.58,1170 45.616,1171 45.702,1172 45.716,1173 45.467,1174 45.361,1175 58.23,1176 5.092,1177 121.898,1178 43.119,1179 5.177,1180 5.177,1181 5.977,1182 4.903,1183 4.917,1184 6.73,1185 1.605,1186 15.428,1187 4.676,1188 7.434,1189 1.471,1190 1.474,1191 1.475,1192 1.467,1193 1.463,1194 1.878,1195 0.164,1196 3.932,1197 1.391,1198 3.986,1199 4.04,1200 3.921,1201 3.88,1202 8.201,1203 3.88,1204 3.913,1205 3.95,1206 3.85,1207 3.842,1208 5,1209 3.837,1210 3.85,1211 3.896,1212 3.79,1213 3.69,1214 4.75,1215 3.713,1216 3.688,1217 3.753,1218 3.589,1219 3.512,1220 4.645,1221 3.522,1222 3.274,1223 3.359,1224 3.158,1225 3.074,1226 4.295,1227 3.079,1228 3.18,1229 3.256,1230 3.057,1231 3.004,1232 4.15,1233 3.006,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.847,1239 2.91,1240 2.854,1241 2.927,1242 2.765,1243 2.735,1244 3.703,1245 2.715,1246 0.135,1247 0.102,1248 0.199,1249 0.124,1250 0.094,1251 4.177,1252 0.12,1253 3.177,1254 0.03,1255 6.175,1256 0.297,1257 3.831,1258 0.086,1259 2.917,1260 3.73,1261 0.916,1262 9.198,1263 2.676,1264 1.92,1265 1.886,1266 2.049,1267 2.074,1268 1.316,1269 2.066,1270 1.912,1271 1.881,1272 2.04,1273 2.012,1274 1.154,1275 2.022,1276 1.796,1277 1.739,1278 1.938,1279 1.957,1280 1.102,1281 1.957,1282 1.646,1283 1.584,1284 1.796,1285 1.839,1286 0.825,1287 1.835,1288 1.236,1289 1.16,1290 1.513,1291 1.482,1292 0.817,1293 1.488,1294 1.153,1295 1.084,1296 1.49,1297 1.378,1298 0.647,1299 1.429,1300 1.152,1301 1.064,1302 1.41,1303 1.376,1304 0.6,1305 1.392,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.273,1311 1.107,1312 4.143,1314 5.425,1316 6.901,1318 8.455,1320 10.046,1324 13.049,1328 5.202,1329 3.368,1333 4.593,1340 32.758,1341 76.667,1342 168.13,1343 210.449,1344 249.668,1345 256.423,1346 256.423,1347 38.186,1348 7.568,1349 44.29,1350 44.29,1351 24,1352 12.244,1353 4.248,1354 3.322,1355 42.742,1356 130,1357 130,1358 0.156,1359 201.051,1360 344.33,1361 482.326,1362 22628,1363 1.9,1364 19.184,1365 0.685,1366 0.563,1367 18.313,1368 15.76,1369 13.759,1370 0.444,1371 0.309,1372 9.451,1373 13.245,1374 9.273,1375 7.661,1376 13.365,1377 9.587,1378 12.017,1379 0.293,1380 0.17,1381 11.395,1382 6.971,1383 9.891,1384 0.194,1385 0.097,1386 9.481,1387 4.934,1388 7.902,1389 0.125,1390 0.053,1391 7.76,1392 3.342,1393 6.758,1394 0.083,1395 0.03,1396 6.467,1397 2.412,1398 0.254,1399 85.925,1400 0.215,1401 27.564,1402 0.405,1403 144,1404 423.024,1405 158.044,1406 390.636,1407 533.07,1408 368,1409 164,1410 389.235,1411 178.289,1412 390.914,1413 566.23,1414 368,1415 4.666}
{0 CHEMBL1766145,1 1.591,2 14.645,3 5.149,4 26.511,5 118.853,6 7.773,7 0.529,8 4.111,9 4.241,10 3.708,11 3.623,12 5.213,13 3.619,14 4.682,15 4.87,16 4.118,17 4.002,18 6.175,19 3.981,20 4.9,21 5.123,22 4.069,23 4.144,24 5.941,25 4.072,26 5.013,27 5.28,28 3.961,29 4.084,30 6.068,31 3.992,32 4.907,33 5.181,34 3.853,35 4.017,36 5.874,37 3.92,38 4.765,39 5.004,40 3.799,41 3.986,42 5.673,43 3.881,44 4.84,45 5.119,46 3.749,47 3.91,48 5.828,49 3.8,50 4.655,51 4.917,52 3.746,53 3.791,54 5.627,55 3.718,56 0.08,57 1.054,58 10.414,59 4.893,60 18.561,61 6.199,62 0.913,63 1.982,64 22.48,65 7.973,66 135.694,67 10.318,68 0.366,69 1.871,70 28.281,71 10.478,72 38.433,73 14.501,74 0.694,75 1.935,76 35.842,77 11.271,78 86.871,79 15.524,80 0.666,81 1.664,82 32.654,83 10.181,84 77.866,85 14.289,86 0.312,87 1.483,88 25.263,89 9.211,90 38.931,91 13.283,92 0.77,93 1.529,94 31.006,95 9.292,96 74.82,97 13.465,98 0.338,99 1.403,100 24.324,101 8.137,102 45.941,103 11.542,104 11,105 47,106 0.262,107 0.546,108 0.665,109 0.782,110 0.819,111 0.819,112 3.471,113 0.901,114 -5.94,115 -5.79,116 -5.39,121 41.8,127 6,134 1,144 10,145 3,147 1,149 1,152 1,176 12,179 3,180 3,183 1,185 2,187 12,191 1,192 2,197 2,200 6,206 4,209 2,211 2,214 1,218 2,219 4,224 1,227 2,232 6,239 2,244 10,247 1,251 1,256 9,269 7,274 1,277 1,281 1764,282 20.85,283 20.85,284 20.85,285 20.85,286 20.85,287 18.714,288 29.984,289 12.412,290 21.504,291 16.828,292 16.828,293 16.828,294 16.828,295 16.828,296 13.684,297 46.981,298 5.957,299 17.981,300 4.19,301 2.469,302 1.75,303 1.037,304 0.814,305 0.814,306 4.169,311 1,312 1,313 980,314 3.536,318 456.714,325 2.56,326 37.026,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 69,338 454,339 4.439,340 4.46,341 7.111,342 4.171,343 3.314,344 3.835,345 3.825,346 11.657,347 2.883,348 4.176,349 3.175,350 6.175,351 3.829,352 2.916,353 3.73,354 0.916,355 9.198,356 2.663,357 3.902,358 2.946,359 5.58,360 3.595,361 2.645,362 3.442,363 0.8,364 7.693,365 2.523,366 3.869,367 2.796,368 5.405,369 3.52,370 2.539,371 3.182,372 0.657,373 7.132,374 2.47,375 3.615,376 2.517,377 5.241,378 3.301,379 2.347,380 2.83,381 0.172,382 6.676,383 2.223,384 3.32,385 2.382,386 5.053,387 3.065,388 2.137,389 2.406,391 6.126,392 1.969,393 2.937,394 1.937,395 4.564,396 2.542,397 1.609,398 2.097,400 4.641,401 1.509,402 2.899,403 1.686,404 4.281,405 2.491,406 1.523,407 2.011,409 3.959,410 1.43,411 2.756,412 1.529,413 3.636,414 2.339,415 1.405,416 1.844,418 3.132,419 1.302,420 2.5,421 1.16,422 3.484,423 2.05,424 1.107,425 1.5,427 2.553,428 1.041,429 2.5,430 1.146,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.472,439 1,440 3.414,441 2,442 1,443 1.465,445 2.275,446 1,447 2,448 1,449 3.247,450 1.967,451 1,452 1,454 2.136,455 0.965,456 1.821,457 0.79,458 3.087,459 1.537,460 0.601,461 0.712,463 1.404,464 0.561,465 1.327,466 0.51,467 3.021,468 1.122,469 0.164,470 0.182,472 0.43,473 0.156,474 14.357,475 0.463,476 0.788,477 0.025,478 39.75,479 1.282,480 19,481 0.613,482 20.75,483 0.669,484 24.706,485 0.797,486 34.243,487 0.623,488 30.823,489 0.994,490 8.173,491 0.264,492 6.797,493 0.219,494 0.06,495 0.035,496 0.23,498 3,501 0.599,502 1.159,503 0.703,504 1.139,505 0.561,506 0.995,507 0.519,508 0.745,509 0.849,510 0.922,511 0.335,512 0.956,513 0.598,514 0.988,515 0.923,516 1.166,517 0.437,518 1.142,519 0.925,520 0.941,521 1.041,522 1,523 0.827,524 1.034,525 0.837,526 0.736,527 0.97,528 0.807,529 0.749,530 0.887,531 0.468,532 0.869,533 0.952,534 1.161,535 0.35,536 1.184,537 0.76,538 0.685,539 0.988,540 0.846,541 0.76,542 0.945,543 0.656,544 0.954,545 0.759,546 0.972,547 0.57,548 0.908,549 7,550 0.169,551 3.111,552 1.313,553 1.218,554 0.854,555 0.383,556 0.531,557 0.267,558 0.114,559 15462,560 47515,561 2.096,562 43.6,564 22,566 1,567 1,572 1.729,573 1.989,574 3.805,575 -0.329,582 87.529,583 1.591,584 3.312,585 4.032,586 4.745,587 4.968,588 4.968,589 3.316,590 4.236,591 4.922,592 4.029,593 1873.71,594 8.559,595 28775.9,600 317.975,601 1.379,602 4.892,603 0.206,604 0.007,605 0.066,606 0.029,607 0.032,608 0.024,609 0.011,610 0.017,611 0.008,612 0.004,613 0.405,614 0.33,615 0.88,616 0.646,617 166.075,618 -0.031,619 -0.176,620 0.045,621 -0.086,622 -0.071,623 -0.019,624 0.376,625 0.291,626 0.037,627 0.048,628 0.469,629 -0.029,630 -0.011,631 -0.179,632 -0.051,633 -0.193,634 0.055,635 -0.149,636 -0.077,637 -0.083,638 -0.059,639 -0.064,640 -0.031,641 -0.056,642 -0.074,643 0.071,644 0.003,645 0.127,646 -0.061,647 0.102,648 -0.005,649 -0.154,650 -0.085,651 -0.195,652 0.002,653 -0.172,654 0.04,655 0.129,657 0.082,658 -0.035,659 0.04,660 0.019,661 -0.177,662 0.189,663 -0.016,664 0.039,665 0.101,666 5.547,667 4.713,668 0.774,669 40.146,670 1.014,671 1.147,672 4.71,673 22.18,674 0.658,675 3.555,676 3.871,677 4.06,678 4.248,679 4.477,680 4.489,681 4.605,682 4.718,683 4.796,684 4.89,685 8.581,686 0.637,687 427.52,688 3.555,689 5.094,690 5.916,691 6.777,692 7.612,693 8.473,694 9.314,695 10.175,696 11.018,697 11.88,698 9.1,701 1,703 1,704 1,708 2,715 11,716 2,720 5,722 18,734 1,736 1,741 55,743 18,744 2,745 34,747 58,748 23,749 16,750 3,751 9,756 4,757 4,763 1,769 1,772 16,773 7,791 3,793 24,794 8,795 1,796 8,802 5,808 1,823 1,829 4,855 1,859 4,866 3,868 31,876 6,877 1,881 2,882 1,892 3,901 15.583,902 9.645,903 6.694,904 3.235,907 3.099,908 1.396,909 1,910 6.623,911 10.921,912 3.784,913 4.324,914 4.798,915 5.269,916 5.761,917 5.745,918 5.974,919 6.164,920 6.459,921 6.758,922 0.9,923 45,924 11.834,926 5.359,927 0.026,929 7.987,931 21.707,933 17.764,936 2.487,937 77.083,940 1,941 270.735,942 137.987,943 57.83,946 44.88,948 137.987,949 270.735,950 102.711,952 12.634,953 94.762,954 63.353,955 69.733,956 4.227,957 258.964,958 7.76,959 270.735,960 195.818,961 44.88,964 270.735,965 44.88,968 34.465,969 109.771,970 51.582,972 315.616,973 57.83,974 137.987,977 278.495,978 26.418,979 110.059,980 18.011,981 78.451,982 270.735,983 102.711,984 137.987,986 0.583,987 0.32,988 0.16,989 0.088,990 22,991 9,992 0.103,993 6,995 1,996 4.428,997 264.014,999 24,1000 136.825,1005 21.453,1006 9.571,1007 5.89,1009 102.711,1010 19.136,1011 9.041,1015 2.914,1017 18.011,1018 511.433,1019 43,1031 55.767,1032 63.078,1034 0.275,1035 0.573,1036 0.697,1037 0.821,1038 0.859,1039 0.859,1040 5.021,1041 1.523,1042 5.911,1043 4.641,1044 4.554,1045 5.011,1046 3.185,1047 6.693,1048 4.424,1049 6.204,1050 1.405,1051 7.458,1052 3.959,1053 4.205,1054 4.649,1055 3.919,1056 7.751,1057 3.868,1058 7.492,1059 1.107,1060 9.116,1061 3.132,1062 6.172,1063 7.081,1064 5.428,1065 10.711,1066 5.876,1067 8.812,1068 1,1069 10.845,1070 2.553,1071 6.635,1072 7.466,1073 6.691,1074 12.619,1075 6.104,1076 10.162,1077 1,1078 12.623,1079 2.275,1080 8.1,1081 9.413,1082 8.058,1083 15.177,1084 7.585,1085 11.535,1086 1,1087 14.437,1088 2.275,1089 8.933,1090 10.163,1091 9.389,1092 17.415,1093 8.188,1094 12.924,1095 0.601,1096 16.278,1097 2.136,1098 10.203,1099 11.869,1100 10.734,1101 19.875,1102 9.426,1103 3.314,1104 0.164,1105 18.141,1106 1.404,1107 11.213,1108 12.827,1109 12.074,1110 22.241,1111 10.226,1112 2.916,1113 11.657,1114 20.021,1115 0.43,1116 12.411,1117 14.393,1118 13.416,1119 24.683,1120 11.347,1121 2.645,1122 9.198,1123 21.916,1124 3.835,1125 13.507,1126 15.481,1127 14.758,1128 27.098,1129 12.252,1130 2.539,1131 7.693,1132 23.822,1133 3.73,1134 14.683,1135 16.959,1136 16.1,1137 29.541,1138 13.319,1139 2.347,1140 7.132,1141 25.737,1142 3.442,1143 15.822,1144 18.13,1145 17.441,1146 31.977,1147 14.28,1148 2.137,1149 6.676,1150 27.661,1151 3.182,1152 16.994,1153 19.554,1154 18.783,1155 34.424,1156 15.324,1157 1.609,1158 6.126,1159 29.591,1160 2.83,1161 18.155,1162 20.78,1163 20.124,1164 36.87,1165 16.318,1166 14617,1167 25909,1168 22.94,1169 36.216,1170 51.125,1171 50.254,1172 50.485,1173 50.913,1174 50.613,1175 63.474,1176 12.743,1177 142.574,1178 47.389,1179 5.439,1180 6.46,1181 6.913,1182 5.244,1183 5.314,1184 6.835,1185 5.335,1186 18.536,1187 4.883,1188 13.517,1189 1.504,1190 1.478,1191 1.485,1192 1.497,1193 1.489,1194 1.867,1195 0.375,1196 4.193,1197 1.394,1198 3.997,1199 4.047,1200 3.938,1201 3.898,1202 8.513,1203 3.898,1204 3.923,1205 3.959,1206 3.867,1207 3.85,1208 7.999,1209 3.845,1210 3.857,1211 3.905,1212 3.794,1213 3.693,1214 7.999,1215 3.716,1216 3.698,1217 3.762,1218 3.607,1219 3.518,1220 5,1221 3.529,1222 3.377,1223 3.431,1224 3.361,1225 3.14,1226 4.75,1227 3.169,1228 3.254,1229 3.336,1230 3.129,1231 3.06,1232 4.695,1233 3.061,1234 3.111,1235 3.206,1236 2.946,1237 2.941,1238 4.302,1239 2.91,1240 3.053,1241 3.136,1242 2.866,1243 2.757,1244 4.151,1245 2.799,1246 0.131,1247 0.131,1248 0.209,1249 0.123,1250 0.097,1251 4.439,1252 0.113,1253 4.46,1254 0.113,1255 7.111,1256 0.343,1257 4.171,1258 0.085,1259 3.314,1260 3.835,1261 3.825,1262 11.657,1263 2.883,1264 1.936,1265 1.907,1266 2.056,1267 2.076,1268 1.318,1269 2.069,1270 1.915,1271 1.883,1272 2.042,1273 2.018,1274 1.155,1275 2.025,1276 1.8,1277 1.742,1278 1.946,1279 1.969,1280 1.133,1281 1.968,1282 1.65,1283 1.589,1284 1.798,1285 1.846,1286 0.825,1287 1.839,1288 1.259,1289 1.201,1290 1.513,1291 1.521,1292 0.819,1293 1.499,1294 1.211,1295 1.144,1296 1.492,1297 1.455,1298 0.689,1299 1.445,1300 1.153,1301 1.064,1302 1.438,1303 1.376,1304 0.61,1305 1.429,1306 0.908,1307 0.837,1308 1.181,1309 1.256,1310 0.294,1311 1.205,1312 4.234,1314 5.549,1316 7.052,1318 8.629,1320 10.242,1324 38.14,1328 4.452,1329 3.329,1333 4.369,1334 -4.297,1340 35.052,1341 87.529,1342 182.172,1343 221.736,1344 260.955,1345 273.22,1346 273.22,1347 55.489,1348 7.822,1349 44.29,1350 44.29,1351 24,1352 12.433,1353 4.248,1354 3.322,1355 49.858,1356 160,1357 147,1358 0.149,1359 213.04,1360 373.77,1361 511.578,1362 31235,1363 5.5,1364 21.684,1365 0.699,1366 0.549,1367 19.184,1368 17.016,1369 14.97,1370 0.44,1371 0.3,1372 10.028,1373 14.278,1374 9.879,1375 8.123,1376 13.759,1377 10.215,1378 13.974,1379 0.297,1380 0.16,1381 12.017,1382 7.539,1383 10.828,1384 0.19,1385 0.093,1386 9.891,1387 5.302,1388 8.601,1389 0.125,1390 0.051,1391 7.902,1392 3.551,1393 7.022,1394 0.081,1395 0.029,1396 6.758,1397 2.533,1398 0.244,1399 94.577,1400 0.209,1401 30.063,1402 0.381,1403 162,1404 613.247,1405 189.23,1406 517.054,1407 681.75,1408 482,1409 185,1410 479.901,1411 206.856,1412 469.223,1413 701.59,1414 440,1415 4.541}
{0 CHEMBL1766146,1 1.344,2 13.786,3 4.007,4 16.053,5 118.046,6 6.792,7 0.581,8 4.086,9 4.227,10 3.587,11 3.634,12 5.081,13 3.592,14 4.629,15 4.828,16 3.887,17 4.018,18 5.565,19 3.939,20 4.916,21 5.168,22 3.861,23 4.14,24 5.708,25 4.011,26 4.964,27 5.256,28 3.725,29 4.065,30 5.698,31 3.904,32 4.859,33 5.145,34 3.731,35 4.008,36 5.628,37 3.876,38 4.782,39 5.041,40 3.712,41 4.007,42 5.623,43 3.878,44 4.771,45 5.04,46 3.606,47 3.948,48 5.547,49 3.792,50 4.686,51 4.983,52 3.432,53 3.768,54 5.45,55 3.613,56 0.062,57 0.839,58 12.456,59 4.821,60 9.523,61 7.026,62 0.265,63 1.362,64 22.588,65 8.061,66 23.536,67 11.883,68 0.237,69 1.651,70 30.933,71 10.633,72 26.492,73 16.181,74 0.358,75 1.637,76 33.356,77 11.109,78 30.725,79 17.015,80 0.267,81 1.495,82 29.89,83 9.718,84 28.332,85 15.057,86 0.299,87 1.442,88 27.296,89 9.14,90 29.722,91 13.871,92 0.173,93 1.367,94 26.815,95 9.746,96 25.196,97 14.681,98 0.264,99 1.232,100 25.368,101 8.004,102 27.938,103 12.49,105 40,106 0.222,107 0.524,108 0.673,109 0.757,110 0.785,111 0.809,112 3.374,113 0.966,114 -5.36,115 -5.24,116 -4.9,121 41.8,123 2,127 4,129 1,144 11,145 2,147 1,149 1,152 1,176 12,179 1,180 5,183 3,185 4,187 13,192 2,197 2,200 6,206 7,209 2,210 1,211 3,214 3,219 3,224 1,227 6,231 2,232 3,237 4,239 8,244 3,249 4,251 3,256 5,259 1,261 4,264 2,269 5,274 2,277 4,281 1344,282 19.585,283 19.585,284 19.585,285 19.585,286 19.585,287 17.359,288 29.426,289 12.151,290 19.941,291 15.399,292 15.399,293 15.399,294 15.399,295 15.399,296 12.233,297 54.077,298 5.907,299 15.996,300 4.437,301 2.603,302 1.701,303 1.191,304 1.018,305 0.873,306 4.08,311 1,312 1,313 847,314 2.646,318 405.174,325 2.357,326 12.937,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 58.5,338 386,339 4.093,340 3.037,341 5.708,342 3.729,343 2.79,344 3.68,345 0.916,346 8.072,347 2.634,348 3.94,349 2.901,350 5.584,351 3.626,352 2.676,353 3.457,354 0.657,355 7.707,356 2.553,357 3.89,358 2.754,359 5.382,360 3.512,361 2.527,362 3.44,363 0.4,364 7.094,365 2.484,366 3.612,367 2.543,368 5.277,369 3.391,370 2.414,371 2.731,372 0.172,373 6.799,374 2.342,375 3.356,376 2.346,377 5.013,378 3.07,379 2.134,380 2.515,382 6.037,383 1.99,384 3.062,385 1.993,386 4.775,387 2.795,388 1.858,389 2.168,391 5.341,392 1.736,393 2.913,394 1.592,395 3.641,396 2.484,397 1.491,398 2.079,400 3.149,401 1.48,402 2.809,403 1.514,404 3.592,405 2.407,406 1.414,407 1.899,409 3.038,410 1.402,411 2.661,412 1.243,413 3.496,414 2.15,415 1.205,416 1.73,418 2.647,419 1.136,420 2.5,421 1.077,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1,431 3.247,432 2,433 1,434 1.5,436 2.136,437 1,438 2,439 1,440 3.247,441 1.984,442 1,443 1,445 2.136,446 0.983,447 1.822,448 0.792,449 3.099,450 1.539,451 0.604,452 0.714,454 1.412,455 0.563,456 1.412,457 0.481,458 2.979,459 1.24,460 0.288,461 0.314,463 0.729,464 0.273,465 1.075,466 0.085,467 2.698,468 0.8,469 -0.152,470 -0.176,472 -0.404,473 -0.144,474 13.5,475 0.482,476 0.41,477 0.015,478 37.25,479 1.33,480 19,481 0.679,482 18.25,483 0.652,484 21.449,485 0.766,486 29.7,487 0.54,488 24.429,489 0.872,490 7.348,491 0.262,492 6.501,493 0.232,496 0.215,501 1.03,502 1.383,503 0.886,504 1.098,505 0.873,506 0.999,507 1.101,508 1.088,509 1.071,510 1.071,511 0.823,512 1.069,513 1.209,514 1.198,515 1.099,516 1.117,517 1.04,518 1.101,519 1.076,520 0.939,521 1.009,522 0.954,523 0.996,524 0.971,525 1.272,526 0.93,527 0.936,528 0.835,529 1.207,530 0.85,531 1.344,532 0.923,533 1.138,534 0.968,535 1.468,536 1.022,537 0.872,538 1.194,539 1.008,540 1.143,541 0.92,542 1.098,543 1.323,544 0.921,545 1.023,546 0.884,547 1.196,548 0.917,549 4.5,550 0.041,551 1.333,552 0.875,553 0.987,554 0.319,555 0.403,556 0.224,557 0.185,558 0.103,559 12183,560 25720,561 2.182,562 49.1,564 20,566 1,567 2,570 4,572 1.703,573 2.154,574 3.747,575 0.176,577 1,582 73.941,583 1.344,584 3.178,585 4.08,586 4.59,587 4.763,588 4.909,589 3.209,590 4.307,591 4.776,592 3.918,593 1480.88,594 8.268,595 21067.3,597 1,599 1,600 317.975,601 0.75,602 4.784,603 0.145,604 0.002,605 0.033,606 0.024,607 0.032,608 0.01,609 0.013,610 0.008,611 0.008,612 0.005,613 0.279,614 0.33,615 1,617 145.104,619 -0.179,620 0.064,621 -0.041,622 0.056,623 0.008,624 0.145,625 0.057,626 -0.089,627 -0.082,628 0.159,629 -0.104,630 -0.108,631 -0.174,632 -0.113,633 -0.146,634 -0.084,635 -0.133,636 0.072,637 0.023,638 -0.005,639 -0.013,640 0.002,641 -0.016,642 -0.096,643 0.049,644 0.07,645 0.107,646 -0.082,647 0.105,648 -0.116,649 0.117,650 -0.14,651 -0.015,652 -0.248,653 -0.069,654 0.02,655 -0.237,656 -0.034,657 -0.153,658 0.021,659 -0.108,660 -0.072,661 0.046,662 -0.008,663 0.038,664 -0.053,665 0.024,666 0.959,667 1.622,668 0.857,669 34.286,670 0.986,671 1.128,672 4.126,673 17.025,674 0.662,675 3.466,676 3.714,677 3.912,678 4.127,679 4.344,680 4.248,681 4.382,682 4.511,683 4.605,684 4.654,685 7.968,686 0.616,687 373.55,688 3.466,689 4.963,690 5.771,691 6.603,692 7.421,693 8.256,694 9.079,695 9.914,696 10.74,697 11.576,698 9.1,701 1,703 2,708 2,715 12,716 2,720 4,722 18,734 2,741 55,743 18,744 2,745 31,747 58,748 23,749 16,750 2,751 10,756 4,757 4,767 3,770 3,772 16,773 7,790 1,793 27,794 5,795 2,796 5,802 5,808 1,823 1,829 4,855 1,859 4,868 28,876 6,877 2,880 1,881 1,901 13,902 9.433,903 6.25,904 3.35,907 2.99,908 1.398,909 0.997,910 6.408,911 10.499,912 3.714,913 4.212,914 4.67,915 5.144,916 5.612,917 5.42,918 5.657,919 5.971,920 6.283,921 6.532,922 1,923 37,924 10.341,926 4.262,927 0.026,929 7.429,931 20.475,933 16.777,936 1.929,937 54,939 1,940 1,941 294.278,942 137.376,943 72.717,948 137.376,949 294.278,950 72.717,952 13.492,953 104.239,954 81.364,955 18.543,956 4.227,957 282.506,959 294.278,960 210.093,964 247.193,965 47.084,968 27.563,969 112.938,970 69.593,972 294.278,973 72.717,974 137.376,977 294.278,978 24.09,979 116.41,980 36.022,981 33.571,982 294.278,983 72.717,984 137.376,986 0.561,987 0.311,988 0.168,989 0.094,990 18,991 6,992 0.121,993 7,995 1,996 4.318,997 225.506,999 24,1000 122.606,1005 18.764,1006 9.563,1007 5.705,1009 72.717,1010 24.765,1011 9.021,1015 4.179,1017 36.022,1018 504.371,1019 40,1031 54.229,1032 62.059,1034 0.233,1035 0.55,1036 0.706,1037 0.794,1038 0.824,1039 0.849,1040 4.902,1041 1.414,1042 5.687,1043 3.149,1044 4.394,1045 4.898,1046 1.305,1047 6.361,1048 4.318,1049 6.032,1050 1.205,1051 7.146,1052 3.038,1053 3.611,1054 4.205,1055 0.325,1056 6.88,1057 3.466,1058 7.269,1059 1,1060 8.693,1061 2.647,1062 5.855,1063 6.903,1064 0.868,1065 9.936,1066 5.693,1067 8.531,1068 1,1069 10.293,1070 2.275,1071 5.889,1072 6.993,1073 0.393,1074 11.261,1075 5.651,1076 9.822,1077 1,1078 11.925,1079 2.136,1080 7.536,1081 9.154,1082 0.627,1083 13.752,1084 7.287,1085 11.132,1086 0.604,1087 13.579,1088 2.136,1089 7.987,1090 9.652,1091 0.384,1092 15.434,1093 7.662,1094 12.457,1095 0.288,1096 15.248,1097 1.412,1098 9.334,1099 11.524,1100 0.482,1101 17.69,1102 8.994,1103 2.79,1104 -0.152,1105 16.927,1106 0.729,1107 10.018,1108 12.27,1109 0.351,1110 19.55,1111 9.604,1112 2.676,1113 8.072,1114 18.613,1115 -0.404,1116 11.204,1117 13.959,1118 0.387,1119 21.698,1120 10.768,1121 2.527,1122 7.707,1123 20.304,1124 3.68,1125 12.023,1126 14.867,1127 0.312,1128 23.653,1129 11.515,1130 2.414,1131 7.094,1132 22,1133 3.457,1134 13.12,1135 16.434,1136 0.319,1137 25.752,1138 12.584,1139 2.134,1140 6.799,1141 23.699,1142 3.44,1143 14.017,1144 17.452,1145 0.273,1146 27.757,1147 13.412,1148 1.858,1149 6.037,1150 25.4,1151 2.731,1152 15.068,1153 18.933,1154 0.267,1155 29.835,1156 14.427,1157 1.491,1158 5.341,1159 27.105,1160 2.515,1161 16.01,1162 20.03,1163 0.236,1164 31.868,1165 15.303,1166 11306,1167 16546,1168 21.841,1169 36.404,1170 45.01,1171 44.789,1172 44.881,1173 44.845,1174 44.803,1175 57.455,1176 4.292,1177 117.14,1178 43.149,1179 5.093,1180 5.037,1181 5.51,1182 4.801,1183 4.79,1184 6.68,1185 1.605,1186 13.825,1187 4.634,1189 1.452,1190 1.445,1191 1.448,1192 1.447,1193 1.445,1194 1.853,1195 0.138,1196 3.779,1197 1.392,1198 3.983,1199 4.036,1200 3.907,1201 3.883,1202 5.014,1203 3.879,1204 3.913,1205 3.953,1206 3.839,1207 3.844,1208 4.762,1209 3.837,1210 3.846,1211 3.893,1212 3.781,1213 3.707,1214 4.743,1215 3.718,1216 3.747,1217 3.804,1218 3.646,1219 3.596,1220 4.34,1221 3.605,1222 3.308,1223 3.395,1224 3.185,1225 3.101,1226 4.165,1227 3.107,1228 3.224,1229 3.305,1230 3.079,1231 3.052,1232 3.974,1233 3.047,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.765,1239 2.91,1240 2.959,1241 3.042,1242 2.814,1243 2.774,1244 3.674,1245 2.778,1246 0.132,1247 0.098,1248 0.184,1249 0.12,1250 0.09,1251 4.093,1252 0.119,1253 3.037,1254 0.03,1255 5.708,1256 0.26,1257 3.729,1258 0.085,1259 2.79,1260 3.68,1261 0.916,1262 8.072,1263 2.634,1264 1.929,1265 1.893,1266 2.079,1267 2.072,1268 1.412,1269 2.076,1270 1.914,1271 1.883,1272 2.043,1273 2.018,1274 1.154,1275 2.026,1276 1.818,1277 1.763,1278 1.99,1279 1.959,1280 1.136,1281 1.97,1282 1.707,1283 1.654,1284 1.823,1285 1.884,1286 0.825,1287 1.879,1288 1.265,1289 1.187,1290 1.513,1291 1.517,1292 0.825,1293 1.52,1294 1.212,1295 1.139,1296 1.513,1297 1.433,1298 0.729,1299 1.452,1300 1.153,1301 1.064,1302 1.477,1303 1.376,1304 0.616,1305 1.429,1306 0.941,1307 0.862,1308 1.229,1309 1.181,1310 0.432,1311 1.206,1312 4.143,1314 5.407,1316 6.864,1318 8.398,1320 9.968,1328 6.199,1329 6.889,1332 0.427,1333 2.52,1340 33.902,1341 73.941,1342 174.796,1343 224.411,1344 252.465,1345 261.975,1346 269.975,1347 33.674,1348 7.509,1349 53.08,1350 53.08,1351 24,1352 12.147,1353 4.248,1354 3.322,1355 42.765,1356 134,1357 122,1358 0.151,1359 209.446,1360 355.56,1361 502.807,1362 21760,1364 19.02,1365 0.679,1366 0.575,1367 19.02,1368 16.09,1369 13.848,1370 0.447,1371 0.322,1372 9.886,1373 13.484,1374 9.683,1375 8.047,1376 13.848,1377 9.987,1378 11.842,1379 0.296,1380 0.182,1381 11.842,1382 7.285,1383 9.624,1384 0.196,1385 0.105,1386 9.624,1387 5.142,1388 7.894,1389 0.129,1390 0.059,1391 7.894,1392 3.575,1393 6.552,1394 0.086,1395 0.034,1396 6.552,1397 2.588,1398 0.248,1399 85.428,1400 0.214,1401 27.702,1402 0.387,1403 142,1404 327.601,1405 151.852,1406 328.915,1407 461.44,1408 312,1409 160,1410 345.056,1411 170.158,1412 353.964,1413 509.76,1414 334,1415 4.907}
{0 CHEMBL1766147,1 1.653,2 9.952,3 1.986,4 3.946,5 88.837,6 7.755,7 0.522,8 3.764,9 3.885,10 3.494,11 3.346,12 4.787,13 3.285,14 4.302,15 4.483,16 3.718,17 3.712,18 5.302,19 3.617,20 4.555,21 4.78,22 3.665,23 3.768,24 5.51,25 3.658,26 4.514,27 4.776,28 3.463,29 3.617,30 5.471,31 3.498,32 4.352,33 4.619,34 3.468,35 3.541,36 5.225,37 3.427,38 4.242,39 4.475,40 3.427,41 3.514,42 5.283,43 3.393,44 4.206,45 4.453,46 3.313,47 3.441,48 5.109,49 3.295,50 4.142,51 4.415,52 3.095,53 3.296,54 5.044,55 3.133,56 0.035,57 0.626,58 9.541,59 3.777,60 6.959,61 4.703,62 0.203,63 1.01,64 19.268,65 6.639,66 16.86,67 8.181,68 0.232,69 1.156,70 25.372,71 7.792,72 32.896,73 10.315,74 0.377,75 1.061,76 21.808,77 6.48,78 40.693,79 9.301,80 0.21,81 0.94,82 19.521,83 5.629,84 23.193,85 8.423,86 0.241,87 0.853,88 16.182,89 5.438,90 31.281,91 7.588,92 0.123,93 0.795,94 17.306,95 5.822,96 18.887,97 7.968,98 0.195,99 0.696,100 17.47,101 5.702,102 25.276,103 7.619,104 2,105 30,106 0.296,107 0.605,108 0.743,109 0.796,110 0.809,111 0.809,112 3.102,113 1.11,114 -3.66,115 -3.63,116 -3.46,121 38.5,127 5,144 6,145 1,147 1,149 1,152 1,176 6,179 3,180 2,183 1,185 2,187 6,197 2,200 3,205 1,206 2,209 2,211 2,214 1,219 2,224 1,227 2,231 2,232 4,239 2,244 5,251 1,256 5,259 1,269 2,281 567,282 14.499,283 14.499,284 14.499,285 14.499,286 14.499,287 12.894,288 18.897,289 8.884,290 15.123,291 11.387,292 11.387,293 11.387,294 11.387,295 11.387,296 8.973,297 30.81,298 4.279,299 12.329,300 3.632,301 1.907,302 1.135,303 0.84,304 0.769,305 0.769,306 3.79,310 1,311 1,312 1,313 451,314 2.121,318 208.102,325 1.578,326 16.746,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 45,338 209,339 4.178,340 4.619,341 6.173,342 3.814,343 2.908,344 3.73,345 2.95,346 9.19,347 2.64,348 3.9,349 3.089,350 5.41,351 3.535,352 2.562,353 3.442,354 0.8,355 7.149,356 2.506,357 3.72,358 2.797,359 5.249,360 3.329,361 2.414,362 2.923,363 0.657,364 6.702,365 2.21,366 3.485,367 2.465,368 5.013,369 3.042,370 2.176,371 2.702,373 5.994,374 1.832,375 2.931,376 2.427,377 4.256,378 2.514,379 1.545,380 2.097,382 3.914,383 1.501,384 2.791,385 1.71,386 3.635,387 2.347,388 1.414,389 1.884,391 3.131,392 1.306,393 2.514,394 1.539,395 3.482,396 2.048,397 1.106,398 1.503,400 2.546,401 1.037,402 2.5,403 1.162,404 3.414,405 2,406 1,407 1.5,409 2.275,410 1,411 2,412 1,413 3.247,414 1.938,415 1,416 1,418 2.136,419 0.924,420 1.822,421 0.789,422 3.08,423 1.537,424 0.601,425 0.712,427 1.403,428 0.561,429 1.229,430 0.381,431 2.538,432 0.824,433 -0.15,434 -0.183,436 -0.333,437 -0.146,438 0.918,439 -0.091,440 2.297,441 0.547,442 -0.414,443 -0.518,445 -1.003,446 -0.397,447 0.65,448 -0.19,449 2,450 0.157,451 -0.779,452 -1,454 -1.774,455 -0.723,456 0.555,457 -0.522,458 1.735,459 0.062,460 -0.883,461 -1.044,463 -2.337,464 -0.783,465 0.5,466 -0.753,467 1.622,469 -1,470 -1.201,472 -2.347,473 -0.837,474 10.267,475 0.489,476 0.362,477 0.017,478 28.5,479 1.357,480 14.5,481 0.69,482 14,483 0.667,484 14.295,485 0.681,486 22.733,487 0.583,488 17.406,489 0.829,490 5.447,491 0.259,492 4.862,493 0.232,494 0.032,496 0.266,501 0.688,502 1.435,503 0.808,504 1.129,505 0.601,506 0.982,507 0.842,508 1.071,509 1.253,510 1.207,511 0.608,512 1.062,513 1.269,514 1.258,515 1.14,516 1.154,517 1.272,518 1.083,519 1.276,520 0.881,521 0.854,522 0.74,523 1.291,524 0.959,525 0.89,526 0.953,527 0.735,528 0.772,529 0.592,530 0.84,531 0.842,532 0.937,533 0.856,534 0.833,535 0.577,536 0.991,537 0.77,538 1.068,539 0.897,540 1.031,541 0.626,542 1.031,543 0.801,544 0.852,545 0.927,546 0.908,547 0.788,548 0.891,549 3.5,550 0.049,551 1.778,552 0.563,553 0.716,554 0.486,555 0.182,556 0.233,557 0.131,558 0.02,559 4825,560 12982,561 2.131,562 46.2,564 16,566 1,567 1,572 1.627,573 2.066,574 3.317,575 -0.244,576 1,577 1,579 1,582 64.469,583 1.653,584 3.378,585 4.15,586 4.446,587 4.516,588 4.516,589 2.761,590 4.011,591 4.364,592 3.43,593 720.208,594 7.454,595 7827.19,596 1,597 1,599 1,600 206.131,601 1.049,602 4.355,603 0.152,604 0.005,605 0.059,606 0.02,607 0.033,608 0.022,609 0.009,610 0.013,611 0.009,612 0.002,613 0.324,614 0.33,615 1,616 0.418,617 96.294,618 0.054,619 -0.235,620 0.158,621 -0.051,622 -0.048,624 0.073,625 0.085,626 -0.161,627 -0.126,628 0.04,629 -0.1,630 -0.16,631 -0.258,632 -0.159,633 -0.188,634 -0.136,635 -0.132,636 -0.087,637 0.084,638 -0.079,639 0.028,640 -0.177,641 -0.067,642 -0.059,643 0.025,644 0.106,645 0.077,646 -0.048,647 0.102,648 0.075,649 0.084,650 -0.026,651 0.035,652 0.145,653 -0.057,654 0.006,655 -0.117,656 0.034,657 -0.068,658 0.059,659 -0.039,660 0.102,661 0.045,662 0.059,663 0.065,664 0.133,665 0.109,666 1.903,667 4.398,668 0.857,669 17.333,670 1,671 1.129,672 2.433,673 5.918,674 0.678,675 3.178,676 3.434,677 3.638,678 3.829,679 4.06,680 3.97,681 4.025,682 4.094,683 4.143,684 4.143,685 5.812,686 0.633,687 302.44,688 3.178,689 4.673,690 5.485,691 6.319,692 7.146,693 7.984,694 8.817,695 9.658,696 10.494,697 11.337,698 10.3,703 1,704 1,708 2,715 7,716 2,720 3,722 12,734 1,736 1,741 39,743 13,744 1,745 23,747 41,748 15,749 10,750 1,751 5,756 3,757 3,772 10,773 5,777 1,782 1,787 1,789 1,790 1,793 18,794 5,795 1,796 6,797 1,802 4,808 1,809 1,823 1,829 3,859 3,862 1,868 21,870 1,876 5,877 1,881 1,893 2.6,896 1,901 10.167,902 6.767,903 4.694,904 2.279,907 2.262,908 1.34,909 0.994,910 4.709,911 8.909,912 3.434,913 3.932,914 4.382,915 4.838,916 5.324,917 5.249,918 5.501,919 5.782,920 6.11,921 6.388,922 0.857,923 28,924 7.781,926 3.25,927 0.026,929 7.653,931 15.133,933 12.387,936 2.153,937 45.222,938 0.001,941 200.109,942 100.567,943 54.706,945 22.156,947 19.133,948 81.434,949 222.265,950 54.706,952 8.116,953 75.99,954 85.509,955 15.357,956 4.227,957 188.338,959 200.109,960 136.14,961 22.156,962 19.133,964 200.109,965 22.156,968 19.063,969 65.495,970 51.582,971 19.133,972 200.109,973 76.863,974 100.567,977 219.241,978 15.529,979 69.029,980 18.011,981 55.728,982 200.109,983 76.863,984 100.567,986 0.566,987 0.316,988 0.165,989 0.095,990 14,991 5,992 0.098,993 4,995 1,996 3.511,997 152.485,999 18,1000 84.239,1003 1,1005 14.332,1006 6.9,1007 3.944,1009 76.863,1010 13.846,1011 8.86,1015 2.742,1017 18.011,1018 377.538,1019 30,1024 11.398,1029 -0.681,1031 38.996,1032 44.029,1034 0.313,1035 0.639,1036 0.785,1037 0.841,1038 0.854,1039 0.854,1040 4.625,1041 1,1042 5.416,1043 2.546,1044 4.111,1045 4.615,1046 3.007,1047 6.116,1048 3.962,1049 5.77,1050 1,1051 6.899,1052 2.275,1053 3.434,1054 4.086,1055 0.325,1056 6.763,1057 3.159,1058 7.023,1059 0.601,1060 8.477,1061 2.136,1062 5.595,1063 6.635,1064 5.032,1065 9.81,1066 5.294,1067 8.304,1068 -0.15,1069 10.112,1070 1.403,1071 5.74,1072 6.876,1073 0.268,1074 11.312,1075 5.311,1076 9.615,1077 -0.414,1078 11.786,1079 -0.333,1080 7.326,1081 8.905,1082 7.185,1083 13.83,1084 6.873,1085 10.945,1086 -0.779,1087 13.486,1088 -1.003,1089 7.881,1090 9.531,1091 0.188,1092 15.708,1093 7.309,1094 12.29,1095 -0.883,1096 15.207,1097 -1.774,1098 9.191,1099 11.299,1100 9.348,1101 18.032,1102 8.584,1103 2.908,1104 -1,1105 16.942,1106 -2.337,1107 9.969,1108 12.151,1109 0.125,1110 20.087,1111 9.247,1112 2.562,1113 9.19,1114 18.689,1115 -2.347,1116 11.142,1117 13.764,1118 11.511,1119 22.339,1120 10.372,1121 2.414,1122 7.149,1123 20.446,1124 3.73,1125 12.043,1126 14.761,1127 0.082,1128 24.479,1129 11.161,1130 2.176,1131 6.702,1132 22.211,1133 3.442,1134 13.148,1135 16.273,1136 13.675,1137 26.704,1138 12.206,1139 1.545,1140 5.994,1141 23.983,1142 2.923,1143 14.118,1144 17.368,1145 0.054,1146 28.884,1147 13.067,1148 1.414,1149 3.914,1150 25.761,1151 2.702,1152 15.193,1153 18.813,1154 15.838,1155 31.102,1156 14.068,1157 1.106,1158 3.131,1159 27.545,1160 2.097,1161 16.201,1162 19.976,1163 0.035,1164 33.301,1165 14.97,1166 4625,1167 7700,1168 15.89,1169 26.455,1170 33.594,1171 35.75,1172 33.747,1173 33.513,1174 33.453,1175 42.986,1176 8.815,1177 88.88,1178 31.035,1179 5.178,1180 6.619,1181 5.975,1182 4.958,1183 4.908,1184 6.73,1185 5.9,1186 15.403,1187 4.64,1188 5.92,1189 1.461,1190 1.554,1191 1.467,1192 1.457,1193 1.454,1194 1.869,1195 0.383,1196 3.864,1197 1.349,1198 3.963,1199 4.011,1200 4.33,1201 3.869,1202 7.396,1203 3.859,1204 3.879,1205 3.915,1206 3.872,1207 3.817,1208 4.998,1209 3.759,1210 3.728,1211 3.763,1212 3.769,1213 3.617,1214 4.749,1215 3.598,1216 3.268,1217 3.347,1218 3.258,1219 3.079,1220 4.203,1221 3.075,1222 3.111,1223 3.206,1224 3.069,1225 2.941,1226 4.103,1227 2.91,1228 3.078,1229 3.105,1230 2.866,1231 2.936,1232 3.781,1233 2.89,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 3.674,1239 2.715,1240 2.737,1241 2.818,1242 2.633,1243 2.525,1244 3.604,1245 2.542,1246 0.182,1247 0.201,1248 0.268,1249 0.166,1250 0.126,1251 4.178,1252 0.162,1253 4.619,1254 0.128,1255 6.173,1256 0.4,1257 3.814,1258 0.115,1259 2.908,1260 3.73,1261 2.95,1262 9.19,1263 2.64,1264 1.916,1265 1.884,1266 2.043,1267 2.042,1268 1.329,1269 2.04,1270 1.825,1271 1.786,1272 1.923,1273 1.975,1274 1.154,1275 1.994,1276 1.668,1277 1.632,1278 1.777,1279 1.818,1280 0.825,1281 1.838,1282 1.231,1283 1.158,1284 1.513,1285 1.467,1286 0.819,1287 1.48,1288 1.153,1289 1.064,1290 1.486,1291 1.376,1292 0.622,1293 1.429,1294 0.966,1295 0.936,1296 1.181,1297 1.164,1298 0.432,1299 1.211,1300 0.886,1301 0.821,1302 1.084,1303 1.062,1304 0.218,1305 1.107,1306 0.691,1307 0.611,1308 0.969,1309 0.94,1310 0.025,1311 0.954,1312 3.85,1314 5.118,1316 6.586,1318 8.136,1320 9.724,1328 3.654,1329 3.311,1333 2.092,1340 24.675,1341 64.469,1342 131.75,1343 161.866,1344 173.376,1345 176.131,1346 176.131,1347 29.771,1348 6.646,1349 58.12,1350 77.33,1351 18,1352 11.902,1353 3.807,1354 3,1355 32.322,1356 73,1357 67,1358 0.216,1359 157.215,1360 264.64,1361 375.365,1362 6528,1364 14.493,1365 0.69,1366 0.598,1367 14.782,1368 12.552,1369 10.31,1370 0.448,1371 0.37,1372 7.056,1373 9.277,1374 6.782,1375 5.59,1376 11.007,1377 8.507,1378 8.894,1379 0.296,1380 0.22,1381 9.735,1382 6.612,1383 7.258,1384 0.196,1385 0.127,1386 7.918,1387 4.696,1388 5.727,1389 0.127,1390 0.073,1391 6.298,1392 3.278,1393 4.806,1394 0.084,1395 0.045,1396 5.474,1397 2.541,1398 0.342,1399 71.296,1400 0.251,1401 21.185,1402 0.581,1403 106,1404 301.864,1405 141.308,1406 314.383,1407 426.31,1408 294,1409 120,1410 293.165,1411 154.255,1412 315.447,1413 450.43,1414 296,1415 4.9}
{0 CHEMBL1766148,1 1.73,2 10.091,3 2.082,4 4.336,5 88.314,6 7.961,7 0.5,8 3.797,9 3.907,10 3.597,11 3.372,12 4.815,13 3.317,14 4.36,15 4.526,16 3.82,17 3.739,18 5.594,19 3.668,20 4.632,21 4.847,22 3.741,23 3.804,24 5.685,25 3.713,26 4.583,27 4.836,28 3.524,29 3.643,30 5.632,31 3.536,32 4.369,33 4.631,34 3.509,35 3.554,36 5.276,37 3.45,38 4.286,39 4.51,40 3.523,41 3.531,42 5.472,43 3.428,44 4.245,45 4.481,46 3.406,47 3.47,48 5.245,49 3.346,50 4.205,51 4.465,52 3.223,53 3.33,54 5.26,55 3.194,56 0.076,57 0.648,58 10.428,59 4.021,60 14.416,61 4.716,62 0.338,63 1.035,64 19.797,65 6.84,66 50.021,67 8.214,68 0.39,69 1.193,70 27.222,71 8.11,72 60.029,73 10.476,74 0.566,75 1.085,76 23.568,77 6.672,78 64.032,79 9.419,80 0.262,81 0.942,82 19.667,83 5.63,84 28.719,85 8.445,86 0.372,87 0.874,88 16.6,89 5.443,90 44.789,91 7.59,92 0.173,93 0.81,94 17.666,95 5.921,96 23.61,97 8.023,98 0.308,99 0.718,100 18.548,101 5.786,102 38.339,103 7.697,104 5,105 33,106 0.307,107 0.605,108 0.738,109 0.789,110 0.801,111 0.801,112 3.146,113 1.126,114 -3.63,115 -3.6,116 -3.43,121 37.5,127 5,144 6,145 1,147 1,149 1,152 1,176 6,179 4,180 2,183 1,185 2,187 6,197 2,200 3,205 2,206 2,209 2,211 2,214 1,219 2,224 1,227 2,231 4,232 4,239 2,244 5,251 1,256 6,259 2,269 2,281 624,282 14.792,283 14.792,284 14.792,285 14.792,286 14.792,287 13.004,288 19.309,289 8.839,290 15.391,291 11.866,292 11.866,293 11.866,294 11.866,295 11.866,296 9.119,297 31.459,298 4.239,299 12.819,300 3.592,301 1.91,302 1.157,303 0.869,304 0.8,305 0.8,306 3.829,310 1,311 1,312 1,313 476,314 2.646,318 221.219,325 1.645,326 25.03,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 48,338 222,339 4.687,340 5.127,341 6.716,342 4.076,343 3.217,344 4.475,345 2.95,346 10.904,347 2.743,348 4.162,349 3.096,350 6.15,351 3.752,352 2.845,353 3.727,354 0.8,355 9.124,356 2.576,357 3.897,358 2.798,359 5.405,360 3.523,361 2.541,362 3.442,363 0.657,364 7.13,365 2.489,366 3.566,367 2.468,368 5.233,369 3.237,370 2.295,371 2.801,373 6.644,374 2.15,375 2.936,376 2.427,377 4.32,378 2.532,379 1.575,380 2.1,382 4.096,383 1.514,384 2.814,385 1.717,386 3.802,387 2.396,388 1.441,389 1.912,391 3.135,392 1.366,393 2.545,394 1.543,395 3.636,396 2.076,397 1.129,398 1.554,400 2.564,401 1.066,402 2.5,403 1.168,404 3.485,405 2,406 1,407 1.5,409 2.372,410 1,411 2,412 1,413 3.247,414 1.938,415 1,416 1,418 2.136,419 0.924,420 1.822,421 0.79,422 3.084,423 1.537,424 0.602,425 0.713,427 1.405,428 0.561,429 1.274,430 0.381,431 2.832,432 0.96,438 1,439 0.248,440 2.445,441 0.549,442 -0.412,443 -0.516,445 -1,446 -0.394,447 0.917,448 -0.187,449 2.356,450 0.163,451 -0.768,452 -1,454 -1.786,455 -0.705,456 0.637,457 -0.405,458 2.295,459 0.063,460 -0.882,461 -1.011,463 -2.347,464 -0.783,465 0.555,466 -0.75,467 2,469 -1,470 -1.193,472 -2.385,473 -0.836,474 10.6,475 0.482,476 0.549,477 0.025,478 30.75,479 1.398,480 16,481 0.727,482 14.75,483 0.67,484 14.859,485 0.675,486 24.2,487 0.605,488 19.954,489 0.907,490 5.821,491 0.265,492 4.802,493 0.218,494 0.063,495 0.079,496 0.179,501 0.577,502 1.495,503 0.843,504 1.276,505 0.629,506 1.004,507 0.75,508 1.087,509 1.197,510 1.212,511 0.583,512 1.053,513 1.306,514 1.232,515 1.155,516 1.129,517 1.301,518 1.082,519 1.239,520 0.849,521 0.897,522 0.713,523 1.243,524 0.965,525 0.725,526 0.975,527 0.721,528 0.79,529 0.466,530 0.854,531 0.65,532 0.93,533 0.826,534 0.825,535 0.472,536 0.987,537 0.716,538 1.099,539 0.868,540 1.056,541 0.59,542 1.035,543 0.79,544 0.853,545 0.914,546 0.903,547 0.8,548 0.889,549 5,550 0.082,551 2.222,552 0.75,553 0.907,554 0.597,555 0.264,556 0.311,557 0.176,558 0.04,559 5398,560 15850,561 2.086,562 45,564 16,566 1,567 1,572 1.64,573 1.985,574 3.332,575 -0.22,576 1,577 1,579 1,582 69.215,583 1.73,584 3.412,585 4.165,586 4.453,587 4.522,588 4.522,589 2.777,590 3.482,591 4.431,592 3.476,593 803.057,594 7.588,595 9045.01,596 1,597 1,599 1,600 212.877,601 1.341,602 4.397,603 0.208,604 0.008,605 0.067,606 0.025,607 0.039,608 0.026,609 0.011,610 0.016,611 0.01,612 0.003,613 0.415,614 0.33,615 1,616 0.517,617 102.646,618 0.078,619 -0.248,620 0.224,621 -0.082,622 -0.113,623 0.003,624 0.175,625 0.073,626 -0.132,627 -0.126,628 0.226,629 -0.094,630 -0.211,631 -0.242,632 -0.183,633 -0.167,634 -0.176,635 -0.133,636 -0.107,637 0.105,638 -0.108,639 0.05,640 -0.19,641 -0.073,642 -0.037,643 0.011,644 0.117,645 0.066,646 -0.021,647 0.107,648 0.2,649 0.111,650 0.002,651 0.039,652 0.197,653 -0.055,654 0.014,655 -0.137,656 0.055,657 -0.087,658 0.061,659 -0.031,660 0.133,661 0.05,662 0.072,663 0.06,664 0.116,665 0.109,666 3.81,667 4.474,668 0.818,669 18.76,670 1.008,671 1.131,672 2.395,673 5.737,674 0.673,675 3.219,676 3.526,677 3.689,678 3.871,679 4.127,680 4.078,681 4.094,682 4.19,683 4.234,684 4.263,685 6.01,686 0.635,687 318.44,688 3.219,689 4.745,690 5.557,691 6.415,692 7.244,693 8.103,694 8.939,695 9.799,696 10.639,697 11.501,698 10,703 1,704 1,708 2,715 7,716 2,720 3,722 12,734 1,736 1,741 40,743 14,744 1,745 24,747 42,748 15,749 10,750 1,751 5,756 3,757 3,772 10,773 5,777 2,780 1,782 2,789 1,790 1,793 18,794 6,795 1,796 7,797 1,802 4,808 1,809 2,823 1,829 3,859 3,862 1,868 22,871 1,876 5,877 1,881 1,893 5,896 2,901 11.083,902 6.933,903 4.778,904 2.307,907 2.333,908 1.345,909 0.996,910 4.483,911 9.086,912 3.497,913 4.078,914 4.431,915 4.869,916 5.362,917 5.33,918 5.572,919 5.887,920 6.214,921 6.529,922 0.857,923 30,924 8.269,926 3.648,927 0.026,929 7.86,931 15.651,933 13.063,936 2.36,937 51.917,941 200.109,942 87.48,943 54.706,945 44.313,947 6.046,948 81.434,949 244.422,950 54.706,952 8.116,953 62.903,954 107.666,955 15.357,956 4.227,957 188.338,959 200.109,960 136.14,961 44.313,962 6.046,964 200.109,965 44.313,968 19.063,969 65.495,970 57.628,972 200.109,973 99.019,974 87.48,976 6.046,977 200.109,978 15.529,979 69.029,980 18.011,981 77.884,982 200.109,983 99.019,984 87.48,986 0.581,987 0.313,988 0.155,989 0.092,990 16,991 6,992 0.095,993 4,995 1,996 3.545,997 164.286,999 18,1000 88.107,1004 1,1005 15.104,1006 6.53,1007 4.115,1009 99.019,1010 13.574,1011 8.714,1015 2.488,1017 18.011,1018 386.608,1019 32,1022 -2.893,1024 22.948,1031 40.323,1032 45.238,1034 0.325,1035 0.641,1036 0.783,1037 0.837,1038 0.85,1039 0.85,1040 4.718,1041 1,1042 5.557,1043 2.564,1044 4.205,1045 4.762,1046 3.007,1047 6.337,1048 4.05,1049 5.931,1050 1,1051 7.101,1052 2.372,1053 3.892,1054 4.783,1055 0.325,1056 7.476,1057 3.552,1058 7.264,1059 0.602,1060 8.756,1061 2.136,1062 5.838,1063 7.015,1064 5.032,1065 10.366,1066 5.474,1067 8.638,1069 10.479,1070 1.405,1071 6.33,1072 7.844,1073 0.268,1074 12.3,1075 5.743,1076 10.049,1077 -0.412,1078 12.246,1080 7.779,1081 9.611,1082 7.185,1083 14.791,1084 7.158,1085 11.483,1086 -0.768,1087 14.042,1088 -1,1089 8.621,1090 10.779,1091 0.188,1092 17,1093 7.773,1094 12.937,1095 -0.882,1096 15.859,1097 -1.786,1098 9.877,1099 12.377,1100 9.348,1101 19.391,1102 8.964,1103 3.217,1104 -1,1105 17.691,1106 -2.347,1107 10.881,1108 13.704,1109 0.125,1110 21.701,1111 9.752,1112 2.845,1113 10.904,1114 19.534,1115 -2.385,1116 12.062,1117 15.234,1118 11.511,1119 24.072,1120 10.834,1121 2.541,1122 9.124,1123 21.386,1124 4.475,1125 13.142,1126 16.64,1127 0.082,1128 26.42,1129 11.712,1130 2.295,1131 7.13,1132 23.245,1133 3.727,1134 14.298,1135 18.143,1136 13.675,1137 28.791,1138 12.742,1139 1.575,1140 6.644,1141 25.11,1142 3.442,1143 15.415,1144 19.591,1145 0.054,1146 31.156,1147 13.668,1148 1.441,1149 4.096,1150 26.979,1151 2.801,1152 16.565,1153 21.085,1154 15.838,1155 33.531,1156 14.673,1157 1.129,1158 3.135,1159 28.853,1160 2.1,1161 17.701,1162 22.554,1163 0.035,1164 35.905,1165 15.625,1166 5207,1167 9066,1168 16.178,1169 26.909,1170 35.192,1171 37.164,1172 35.32,1173 35.428,1174 35.289,1175 46.446,1176 8.815,1177 99.017,1178 32.78,1179 5.687,1180 7.127,1181 6.518,1182 5.219,1183 5.217,1184 7.475,1185 5.9,1186 17.147,1187 4.743,1188 8.454,1189 1.466,1190 1.548,1191 1.472,1192 1.476,1193 1.47,1194 1.935,1195 0.367,1196 4.126,1197 1.366,1198 4.07,1199 4.067,1200 4.733,1201 4.053,1202 7.713,1203 3.928,1204 3.925,1205 3.952,1206 3.876,1207 3.855,1208 6.999,1209 3.844,1210 3.799,1211 3.835,1212 3.774,1213 3.642,1214 4.997,1215 3.658,1216 3.329,1217 3.385,1218 3.303,1219 3.121,1220 4.749,1221 3.115,1222 3.201,1223 3.256,1224 3.081,1225 3.025,1226 4.196,1227 3.008,1228 3.111,1229 3.206,1230 2.866,1231 2.941,1232 4.09,1233 2.91,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 3.776,1239 2.715,1240 2.738,1241 2.818,1242 2.634,1243 2.527,1244 3.674,1245 2.544,1246 0.195,1247 0.214,1248 0.28,1249 0.17,1250 0.134,1251 4.687,1252 0.186,1253 5.127,1254 0.123,1255 6.716,1256 0.454,1257 4.076,1258 0.114,1259 3.217,1260 4.475,1261 2.95,1262 10.904,1263 2.743,1264 1.927,1265 1.931,1266 2.044,1267 2.069,1268 1.418,1269 2.1,1270 1.906,1271 1.881,1272 1.941,1273 2,1274 1.154,1275 2.021,1276 1.714,1277 1.674,1278 1.787,1279 1.876,1280 0.825,1281 1.878,1282 1.244,1283 1.18,1284 1.513,1285 1.486,1286 0.825,1287 1.497,1288 1.153,1289 1.083,1290 1.487,1291 1.376,1292 0.632,1293 1.429,1294 1.117,1295 1.064,1296 1.181,1297 1.342,1298 0.518,1299 1.371,1300 0.886,1301 0.821,1302 1.137,1303 1.062,1304 0.218,1305 1.107,1306 0.692,1307 0.612,1308 0.969,1309 0.941,1310 0.025,1311 0.954,1312 3.892,1314 5.198,1316 6.698,1318 8.275,1320 9.888,1328 1.913,1329 3.261,1333 1.911,1340 25.39,1341 69.215,1342 136.497,1343 166.612,1344 178.122,1345 180.877,1346 180.877,1347 37.881,1348 6.753,1349 75.19,1350 83.57,1351 18,1352 12.055,1353 3.907,1354 3.17,1355 34.64,1356 80,1357 72,1358 0.214,1359 161.212,1360 273.43,1361 385.116,1362 7421,1364 15.416,1365 0.701,1366 0.589,1367 15.666,1368 12.96,1369 10.623,1370 0.443,1371 0.375,1372 7.239,1373 9.42,1374 6.942,1375 5.707,1376 11.476,1377 9.007,1378 9.876,1379 0.299,1380 0.228,1381 11.208,1382 7.524,1383 7.582,1384 0.194,1385 0.133,1386 8.403,1387 5.196,1388 5.863,1389 0.125,1390 0.074,1391 6.502,1392 3.501,1393 4.998,1394 0.082,1395 0.046,1396 5.762,1397 2.811,1398 0.339,1399 75.164,1400 0.249,1401 22.043,1402 0.574,1403 114,1404 349.6,1405 159.091,1406 357.828,1407 478.63,1408 330,1409 129,1410 323.171,1411 180.047,1412 355.038,1413 507.91,1414 332,1415 4.616}
{0 CHEMBL1766149,1 1.416,2 9.3,3 2.087,4 4.356,5 82.972,6 6.907,7 0.545,8 3.76,9 3.909,10 3.276,11 3.251,12 4.769,13 3.227,14 4.298,15 4.511,16 3.56,17 3.616,18 5.256,19 3.556,20 4.536,21 4.799,22 3.522,23 3.709,24 5.36,25 3.601,26 4.493,27 4.779,28 3.351,29 3.585,30 5.317,31 3.459,32 4.35,33 4.628,34 3.307,35 3.501,36 5.212,37 3.391,38 4.232,39 4.484,40 3.213,41 3.448,42 5.11,43 3.339,44 4.198,45 4.468,46 3.072,47 3.368,48 5.015,49 3.227,50 4.126,51 4.43,52 2.864,53 3.222,54 4.841,55 3.062,56 0.039,57 0.626,58 8.877,59 3.059,60 6,61 4.707,62 0.241,63 0.966,64 16.33,65 5.014,66 17.778,67 7.796,68 0.21,69 1.089,70 21.358,71 6.439,72 18.861,73 10.361,74 0.27,75 0.994,76 20.943,77 5.861,78 23.25,79 9.618,80 0.234,81 0.882,82 17.987,83 5.262,84 22.111,85 8.466,86 0.157,87 0.813,88 15.606,89 4.682,90 17.584,91 7.517,92 0.145,93 0.745,94 15.181,95 5.026,96 16.5,97 7.818,98 0.136,99 0.645,100 14.468,101 4.582,102 14.084,103 7.278,105 28,106 0.255,107 0.58,108 0.71,109 0.8,110 0.813,111 0.813,112 3.057,113 0.952,114 -3.74,115 -3.71,116 -3.53,121 38.5,127 5,144 6,145 1,147 1,149 1,152 1,176 6,179 3,180 2,183 1,185 2,187 6,195 1,197 2,200 3,206 2,209 2,211 2,214 1,219 2,222 2,224 1,227 2,232 4,239 2,244 5,248 1,249 1,251 1,256 4,269 2,274 1,281 500,282 14.052,283 14.052,284 14.052,285 14.052,286 14.052,287 12.602,288 21.627,289 8.798,290 14.421,291 10.921,292 10.921,293 10.921,294 10.921,295 10.921,296 8.809,297 36.669,298 4.242,299 11.522,300 3.87,301 2.061,302 1.34,303 0.84,304 0.769,305 0.769,306 3.747,310 1,311 1,312 1,313 404,314 2,318 194.986,325 1.5,326 10.328,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 42.5,338 186,339 4.172,340 3.129,341 6.168,342 3.806,343 2.894,344 3.729,345 0.8,346 9.175,347 2.641,348 3.898,349 2.804,350 5.407,351 3.531,352 2.551,353 3.442,354 0.657,355 7.137,356 2.506,357 3.594,358 2.492,359 5.237,360 3.283,361 2.335,362 2.818,363 0.4,364 6.66,365 2.203,366 2.984,367 1.996,368 4.392,369 2.708,370 1.782,371 2.115,373 4.373,374 1.649,375 2.894,376 1.625,377 3.643,378 2.487,379 1.497,380 2.011,382 3.152,383 1.48,384 2.661,385 1.454,386 3.538,387 2.219,388 1.29,389 1.719,391 2.821,392 1.196,393 2.5,394 1.146,395 3.429,396 2,397 1,398 1.5,400 2.389,401 1,402 2.194,403 1.119,404 3.247,405 1.967,406 1,407 1.164,409 2.136,410 0.965,411 2,412 1,413 3.247,414 1.923,415 1,416 1,418 2.136,419 0.921,420 1.821,421 0.789,422 3.076,423 1.536,424 0.6,425 0.711,427 1.401,428 0.56,429 0.931,430 -0.187,431 2.41,432 0.561,433 -0.398,434 -0.497,436 -0.951,437 -0.38,438 0.738,439 -0.377,440 2.296,441 0.413,442 -0.531,443 -0.6,445 -1.275,446 -0.499,447 0.558,448 -0.6,449 1.656,450 0.097,451 -0.862,452 -1,454 -1.934,455 -0.825,456 0.5,457 -0.752,458 1.555,460 -1,461 -1.128,463 -2.347,464 -0.9,465 0.211,466 -0.943,467 1.555,468 -0.058,469 -1,470 -1.265,472 -2.347,473 -0.941,474 9.5,475 0.475,476 0.256,477 0.013,478 26.75,479 1.338,480 13,481 0.65,482 13.75,483 0.688,484 12.979,485 0.649,486 21.7,487 0.556,488 16.146,489 0.807,490 5.406,491 0.27,492 4.51,493 0.226,496 0.2,501 1.06,502 1.571,503 0.867,504 1.179,505 0.869,506 1.027,507 1.155,508 1.037,509 1.059,510 1.009,511 0.916,512 1.02,513 1.104,514 1.13,515 1.009,516 1.038,517 0.996,518 1.015,519 1.233,520 0.953,521 1.063,522 0.936,523 1.369,524 0.971,525 1.142,526 0.856,527 0.971,528 0.841,529 1.232,530 0.877,531 1.341,532 1.066,533 1.152,534 1.031,535 1.31,536 1.062,537 0.873,538 1.036,539 1.026,540 1.091,541 0.863,542 1.08,543 0.921,544 0.844,545 0.905,546 0.865,547 0.827,548 0.88,549 2.5,550 0.016,551 1.333,552 0.5,553 0.524,554 0.375,555 0.102,556 0.155,557 0.086,558 0.009,559 4256,560 9390,561 2.169,562 48.7,564 16,566 1,567 2,572 1.614,573 2.143,574 3.239,575 0.361,577 1,579 1,582 55.207,583 1.416,584 3.224,585 3.945,586 4.446,587 4.516,588 4.516,589 2.709,590 3.722,591 4.295,592 3.347,593 636,594 7.316,595 6657.7,596 1,597 1,599 1,600 206.131,601 0.722,602 4.3,603 0.114,604 0.002,605 0.048,606 0.019,607 0.025,608 0.018,609 0.005,610 0.01,611 0.007,612 0.001,613 0.248,614 0.67,615 1,617 89.845,618 -0.042,619 -0.313,620 0.065,621 -0.101,622 0.036,623 -0.019,624 0.096,625 0.124,626 -0.081,627 -0.037,628 0.094,629 -0.074,630 -0.047,631 -0.126,632 -0.029,633 -0.075,634 -0.031,635 -0.054,636 -0.059,637 0.018,638 -0.062,639 -0.019,640 -0.162,641 -0.038,642 -0.013,643 0.13,644 0.024,645 0.097,646 -0.04,647 0.07,648 -0.252,649 -0.026,650 -0.177,651 -0.064,652 -0.219,653 -0.104,654 0.012,655 -0.074,656 -0.063,657 -0.099,658 0.058,659 -0.092,660 -0.051,661 0.04,662 0.073,663 0.103,664 0.05,665 0.103,666 0.857,667 1.587,668 0.9,669 15.2,670 0.992,671 1.138,672 2.512,673 6.312,674 0.65,675 3.135,676 3.367,677 3.584,678 3.784,679 3.989,680 3.85,681 3.951,682 3.989,683 4.043,684 4.007,685 5.548,686 0.61,687 269.39,688 3.135,689 4.615,690 5.425,691 6.252,692 7.076,693 7.909,694 8.738,695 9.574,696 10.406,697 11.243,698 12.8,700 1,703 1,704 1,708 2,715 7,716 2,720 3,722 12,734 1,736 1,741 39,743 12,744 1,745 22,747 41,748 15,749 10,750 1,751 5,756 3,757 3,772 10,773 5,789 1,790 1,793 19,794 5,795 2,796 5,802 5,808 1,823 1,829 3,853 1,859 3,868 20,876 5,877 2,881 1,901 9.333,902 6.683,903 4.528,904 2.335,907 2.166,908 1.332,909 0.995,910 4.335,911 8.694,912 3.367,913 3.85,914 4.331,915 4.806,916 5.284,917 5.161,918 5.425,919 5.664,920 5.994,921 6.223,922 1,923 26,924 7.371,926 3.005,927 0.026,929 7.475,931 14.483,933 11.6,936 1.975,937 39.5,938 0.001,941 200.109,942 83.846,943 72.717,948 83.846,949 200.109,950 72.717,952 10.529,953 74.868,954 63.353,955 15.357,956 4.227,957 188.338,959 200.109,960 156.563,964 200.109,968 39.486,969 65.495,970 51.582,972 200.109,973 72.717,974 83.846,977 200.109,978 17.941,979 69.029,980 36.022,981 33.571,982 200.109,983 72.717,984 83.846,986 0.555,987 0.315,988 0.172,989 0.095,990 13,991 4,992 0.098,993 4,995 1,996 3.449,997 142.097,999 18,1000 78.439,1005 13.191,1006 6.572,1007 3.617,1009 72.717,1010 14.048,1011 8.953,1015 2.928,1017 36.022,1018 356.672,1019 28,1031 38.694,1032 44.398,1034 0.268,1035 0.61,1036 0.746,1037 0.841,1038 0.854,1039 0.854,1040 4.543,1041 1,1042 5.333,1043 2.389,1044 4.043,1045 4.533,1046 1.145,1047 6.019,1048 3.936,1049 5.665,1050 1,1051 6.799,1052 2.136,1053 3.219,1054 3.861,1055 0.325,1056 6.629,1057 3.026,1058 6.901,1059 0.6,1060 8.366,1061 2.136,1062 5.501,1063 6.548,1064 0.634,1065 9.717,1066 5.273,1067 8.171,1068 -0.398,1069 9.998,1070 1.401,1071 5.565,1072 6.72,1073 0.268,1074 11.237,1075 5.228,1076 9.476,1077 -0.531,1078 11.673,1079 -0.951,1080 7.223,1081 8.833,1082 0.364,1083 13.764,1084 6.861,1085 10.805,1086 -0.862,1087 13.379,1088 -1.275,1089 7.739,1090 9.43,1091 0.188,1092 15.662,1093 7.259,1094 12.15,1095 -1,1096 15.107,1097 -1.934,1098 9.089,1099 11.246,1100 0.215,1101 17.988,1102 8.578,1103 2.894,1104 -1,1105 16.851,1106 -2.347,1107 9.849,1108 12.087,1109 0.125,1110 20.055,1111 9.219,1112 2.551,1113 9.175,1114 18.607,1115 -2.347,1116 11.042,1117 13.725,1118 0.129,1119 22.307,1120 10.368,1121 2.335,1122 7.137,1123 20.373,1124 3.729,1125 11.936,1126 14.72,1127 0.082,1128 24.452,1129 11.145,1130 1.782,1131 6.66,1132 22.146,1133 3.442,1134 13.051,1135 16.246,1136 0.079,1137 26.677,1138 12.204,1139 1.497,1140 4.373,1141 23.925,1142 2.818,1143 14.018,1144 17.342,1145 0.054,1146 28.859,1147 13.058,1148 1.29,1149 3.152,1150 25.71,1151 2.115,1152 15.097,1153 18.794,1154 0.048,1155 31.075,1156 14.068,1157 1,1158 2.821,1159 27.499,1160 2.011,1161 16.103,1162 19.958,1163 0.035,1164 33.274,1165 14.966,1166 4051,1167 6110,1168 15.485,1169 25.358,1170 31.983,1171 31.943,1172 31.86,1173 31.921,1174 31.899,1175 40.418,1176 3.715,1177 82.756,1178 30.242,1179 5.172,1180 5.129,1181 5.97,1182 4.878,1183 4.894,1184 6.729,1185 1.457,1186 15.377,1187 4.641,1189 1.454,1190 1.452,1191 1.448,1192 1.451,1193 1.45,1194 1.837,1195 0.169,1196 3.762,1197 1.375,1198 3.956,1199 4.011,1200 3.893,1201 3.86,1202 4.999,1203 3.856,1204 3.864,1205 3.914,1206 3.794,1207 3.696,1208 4.749,1209 3.72,1210 3.686,1211 3.758,1212 3.572,1213 3.499,1214 4.375,1215 3.507,1216 3.258,1217 3.345,1218 3.124,1219 3.065,1220 4.156,1221 3.065,1222 3.111,1223 3.206,1224 2.866,1225 2.941,1226 3.85,1227 2.91,1228 2.973,1229 3.074,1230 2.842,1231 2.735,1232 3.689,1233 2.739,1234 2.854,1235 2.925,1236 2.687,1237 2.715,1238 3.674,1239 2.715,1240 2.736,1241 2.818,1242 2.629,1243 2.522,1244 3.474,1245 2.539,1246 0.19,1247 0.142,1248 0.28,1249 0.173,1250 0.132,1251 4.172,1252 0.17,1253 3.129,1254 0.036,1255 6.168,1256 0.417,1257 3.806,1258 0.12,1259 2.894,1260 3.729,1261 0.8,1262 9.175,1263 2.641,1264 1.915,1265 1.883,1266 2.044,1267 2.054,1268 1.25,1269 2.043,1270 1.805,1271 1.743,1272 1.974,1273 1.989,1274 1.154,1275 1.999,1276 1.643,1277 1.576,1278 1.798,1279 1.849,1280 0.825,1281 1.843,1282 1.228,1283 1.153,1284 1.513,1285 1.472,1286 0.814,1287 1.48,1288 1.153,1289 1.064,1290 1.488,1291 1.376,1292 0.618,1293 1.429,1294 0.903,1295 0.821,1296 1.193,1297 1.216,1298 0.359,1299 1.219,1300 0.886,1301 0.808,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.691,1307 0.61,1308 0.969,1309 0.941,1310 0.025,1311 0.954,1312 3.807,1314 5.056,1316 6.515,1318 8.057,1320 9.639,1328 4.68,1329 6.68,1333 2.212,1340 23.795,1341 55.207,1342 125.75,1343 153.866,1344 173.376,1345 176.131,1346 176.131,1347 20.15,1348 6.528,1349 53.08,1350 53.08,1351 18,1352 11.812,1353 3.7,1354 2.807,1355 30.078,1356 66,1357 60,1358 0.221,1359 148.882,1360 248.34,1361 355.033,1362 5637,1364 13.623,1365 0.681,1366 0.571,1367 13.623,1368 11.419,1369 9.916,1370 0.451,1371 0.317,1372 6.878,1373 9.545,1374 6.763,1375 5.61,1376 9.916,1377 6.982,1378 8.272,1379 0.295,1380 0.172,1381 8.272,1382 4.818,1383 6.848,1384 0.196,1385 0.096,1386 6.848,1387 3.359,1388 5.576,1389 0.13,1390 0.052,1391 5.576,1392 2.253,1393 4.582,1394 0.086,1395 0.029,1396 4.582,1397 1.525,1398 0.348,1399 61.886,1400 0.254,1401 20.269,1402 0.596,1403 100,1404 253.601,1405 109.519,1406 250.52,1407 350.95,1408 238,1409 113,1410 262.915,1411 123.047,1412 266.785,1413 386.83,1414 252,1415 4.81}
{0 CHEMBL1766150,1 1.497,2 11.542,3 2.204,4 4.857,5 97.293,6 6.925,7 0.462,8 3.933,9 4.075,10 3.443,11 3.42,12 4.965,13 3.395,14 4.487,15 4.7,16 3.753,17 3.785,18 5.478,19 3.729,20 4.734,21 4.98,22 3.75,23 3.919,24 5.637,25 3.827,26 4.753,27 5.006,28 3.619,29 3.877,30 5.667,31 3.75,32 4.744,33 5.035,34 3.498,35 3.783,36 5.605,37 3.639,38 4.547,39 4.836,40 3.409,41 3.645,42 5.35,43 3.519,44 4.395,45 4.658,46 3.408,47 3.558,48 5.393,49 3.457,50 4.356,51 4.621,52 3.307,53 3.529,54 5.259,55 3.415,56 0.025,57 0.73,58 10.526,59 3.859,60 6.398,61 5.773,62 0.302,63 1.135,64 19.864,65 6.221,66 22.402,67 9.561,68 0.307,69 1.316,70 26.217,71 7.816,72 30.766,73 12.23,74 0.318,75 1.281,76 26.881,77 8.328,78 39.368,79 12.816,80 0.423,81 1.196,82 27.453,83 7.954,84 45.125,85 12.637,86 0.213,87 1.029,88 22.072,89 6.473,90 23.07,91 10.563,92 0.306,93 0.918,94 18.801,95 5.554,96 35.187,97 8.87,98 0.158,99 0.867,100 17.892,101 5.709,102 22.217,103 8.895,104 6,105 34,106 0.258,107 0.556,108 0.699,109 0.782,110 0.822,111 0.822,112 3.227,113 0.962,114 -4.03,115 -3.98,116 -3.77,121 38.3,122 1,123 1,127 5,144 6,145 1,147 1,149 1,152 1,160 1,176 7,179 4,180 4,183 1,185 2,187 8,191 1,197 1,200 5,206 2,209 2,211 2,214 2,218 3,219 2,224 2,227 1,232 4,237 1,239 2,243 2,244 7,247 1,251 2,256 5,264 1,269 6,272 1,274 1,277 1,281 844,282 16.413,283 16.413,284 16.413,285 16.413,286 16.413,287 14.781,288 22.768,289 10.005,290 16.796,291 12.855,292 12.855,293 12.855,294 12.855,295 12.855,296 10.457,297 34.03,298 4.766,299 13.476,300 4.058,301 2.327,302 1.494,303 1.011,304 0.782,305 0.782,306 3.914,310 1,311 1,312 1,313 590,314 2.915,318 252.551,325 1.958,326 17.478,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 51.5,338 277,339 4.177,340 3.67,341 6.184,342 3.847,343 2.928,344 3.728,345 1.94,346 9.215,347 2.695,348 3.901,349 3.121,350 5.894,351 3.631,352 2.684,353 3.444,354 0.8,355 8.098,356 2.539,357 3.885,358 2.743,359 5.355,360 3.521,361 2.525,362 3.048,363 0.555,364 6.995,365 2.505,366 3.572,367 2.574,368 5.292,369 3.27,370 2.331,371 2.795,372 0.4,373 6.793,374 2.183,375 2.957,376 2.247,377 4.368,378 2.613,379 1.654,380 2.113,382 4.215,383 1.586,384 2.896,385 1.707,386 3.737,387 2.509,388 1.521,389 1.984,391 3.229,392 1.495,393 2.661,394 1.563,395 3.668,396 2.233,397 1.263,398 1.69,400 2.841,401 1.216,402 2.5,403 1.196,404 3.482,405 2,406 1,407 1.5,409 2.465,410 1,411 2.304,412 1.146,413 3.414,414 1.967,415 1,416 1.224,418 2.275,419 0.965,420 2.203,421 1.081,422 3.291,423 1.961,424 1,425 1.162,427 2.211,428 0.956,429 2,430 1,431 3.247,432 1.947,433 1,434 1,436 2.136,437 0.942,438 1.218,439 0.374,440 2.629,441 0.956,447 0.868,448 0.204,449 2.491,450 0.598,451 -0.366,452 -0.405,454 -0.882,455 -0.351,456 0.719,457 -0.216,458 2,459 0.341,460 -0.624,461 -0.782,463 -1.436,464 -0.598,465 0.516,466 -0.452,467 1.897,468 0.101,469 -0.898,470 -1,472 -2,473 -0.84,474 11.333,475 0.472,476 0.452,477 0.019,478 30.75,479 1.281,480 14.5,481 0.604,482 16.25,483 0.677,484 18.137,485 0.756,486 26.467,487 0.563,488 20.347,489 0.848,490 6.172,491 0.257,492 5.549,493 0.231,494 0.074,496 0.247,501 0.807,502 1.641,503 0.847,504 1.257,505 0.572,506 1.083,507 0.855,508 1.052,509 0.965,510 0.992,511 0.558,512 0.983,513 1.258,514 1.05,515 1.084,516 0.979,517 1.12,518 0.999,519 1.192,520 1.134,521 1.18,522 1.162,523 1.353,524 1.173,525 1.072,526 0.857,527 1.021,528 0.87,529 1.169,530 0.929,531 0.863,532 1.009,533 0.907,534 0.898,535 0.477,536 0.893,537 0.827,538 0.924,539 0.956,540 0.89,541 0.548,542 0.921,543 0.911,544 1.001,545 0.945,546 0.973,547 0.711,548 0.955,549 4,550 0.033,551 2.222,552 0.938,553 0.636,554 0.667,555 0.342,556 0.16,557 0.217,558 0.138,559 7144,560 17367,561 2.089,562 48.9,564 16,566 1,567 1,568 3,569 2,572 1.663,573 2,574 3.507,575 -0.301,576 1,577 1,582 70.355,583 1.497,584 3.227,585 4.06,586 4.544,587 4.773,588 4.773,589 2.98,590 3.486,591 4.554,592 3.673,593 1013.88,594 7.83,595 12511.9,597 1,599 1,600 261.066,601 1.189,602 4.536,603 0.154,604 0.002,605 0.065,606 0.028,607 0.024,608 0.028,609 0.015,610 0.007,611 0.01,612 0.008,613 0.341,614 0.33,615 1,616 0.681,617 116.882,618 -0.011,619 -0.368,620 0.066,621 -0.142,622 0.001,623 -0.047,624 0.162,625 0.111,626 0.006,627 -0.007,628 0.104,629 -0.022,630 -0.16,631 -0.003,632 -0.097,633 -0.015,634 -0.123,635 -0.042,636 -0.104,637 -0.132,638 -0.196,639 -0.193,640 -0.182,641 -0.209,642 -0.004,643 0.074,644 -0.019,645 0.054,646 -0.117,647 0.018,648 -0.05,649 -0.047,650 0.071,651 0.045,652 0.028,653 0.074,654 0.153,655 0.103,656 0.03,657 0.058,658 0.225,659 0.035,660 -0.062,661 -0.01,662 0.022,663 0.012,664 0.051,665 0.032,666 1.535,667 4.397,668 0.75,669 24.361,670 0.996,671 1.137,672 2.797,673 7.823,674 0.645,675 3.296,676 3.555,677 3.761,678 3.932,679 4.127,680 4.111,681 4.205,682 4.19,683 4.277,684 4.317,685 6.795,686 0.608,687 325.46,688 3.296,689 4.796,690 5.609,691 6.444,692 7.272,693 8.111,694 8.944,695 9.786,696 10.623,697 11.467,698 10.6,703 1,704 1,705 1,708 2,715 7,716 2,720 3,722 12,734 1,736 1,741 47,743 13,744 1,745 26,747 49,748 18,749 10,750 1,751 5,756 3,757 3,763 1,770 1,772 11,773 7,777 1,782 1,786 1,789 1,790 1,793 23,794 6,795 1,796 6,802 5,808 1,809 1,823 1,829 3,844 1,859 3,864 1,868 24,876 6,877 1,881 2,893 2.1,896 1,901 12,902 8.55,903 5.389,904 2.876,907 2.199,908 1.318,909 0.968,910 5.651,911 9.111,912 3.526,913 4.007,914 4.443,915 4.877,916 5.319,917 5.222,918 5.46,919 5.637,920 5.921,921 6.248,922 0.875,923 33,924 8.867,926 3.625,927 0.026,929 7.632,931 17.234,933 13.777,936 2.132,937 51.167,941 258.964,942 99.91,943 57.83,945 25.145,948 99.91,949 284.109,950 57.83,951 8.825,952 16.187,953 56.857,954 93.202,955 15.357,956 4.227,957 247.193,959 258.964,960 157.741,961 25.145,964 235.422,965 48.687,968 35.959,969 70.2,970 51.582,972 258.964,973 82.975,974 99.91,977 258.964,978 25.18,979 80.979,980 18.011,981 58.716,982 258.964,983 82.975,984 99.91,986 0.567,987 0.32,988 0.162,989 0.086,990 15,991 6,992 0.102,993 5,995 1,996 3.793,997 180.528,999 18,1000 99.284,1005 16.718,1006 8.113,1007 4.687,1009 82.975,1010 14.061,1011 8.968,1015 2.868,1017 18.011,1018 441.85,1019 33,1024 11.397,1028 0.131,1031 46.789,1032 53.438,1034 0.269,1035 0.581,1036 0.731,1037 0.818,1038 0.859,1039 0.859,1040 4.727,1041 1,1042 5.549,1043 2.841,1044 4.234,1045 4.691,1046 2.194,1047 6.263,1048 4.14,1049 5.868,1050 1,1051 7.047,1052 2.465,1053 3.611,1054 4.182,1055 1.738,1056 6.974,1057 3.449,1058 7.12,1059 1,1060 8.643,1061 2.275,1062 5.733,1063 6.686,1064 2.993,1065 10.008,1066 5.525,1067 8.401,1068 1,1069 10.3,1070 2.211,1071 5.943,1072 6.956,1073 3.144,1074 11.56,1075 5.651,1076 9.714,1078 11.996,1079 2.136,1080 7.494,1081 8.948,1082 4.136,1083 14.062,1084 7.161,1085 11.046,1086 -0.366,1087 13.717,1089 8.103,1090 9.595,1091 4.541,1092 15.961,1093 7.68,1094 12.393,1095 -0.624,1096 15.456,1097 -0.882,1098 9.389,1099 11.337,1100 5.383,1101 18.269,1102 8.922,1103 2.928,1104 -0.898,1105 17.208,1106 -1.436,1107 10.204,1108 12.2,1109 5.912,1110 20.325,1111 9.644,1112 2.684,1113 9.215,1114 18.97,1115 -2,1116 11.362,1117 13.796,1118 6.67,1119 22.561,1120 10.751,1121 2.525,1122 8.098,1123 20.739,1124 3.728,1125 12.286,1126 14.797,1127 7.263,1128 24.693,1129 11.582,1130 2.331,1131 6.995,1132 22.514,1133 3.444,1134 13.384,1135 16.298,1136 7.976,1137 26.904,1138 12.619,1139 1.654,1140 6.793,1141 24.293,1142 3.048,1143 14.367,1144 17.394,1145 8.602,1146 29.073,1147 13.51,1148 1.521,1149 4.215,1150 26.076,1151 2.795,1152 15.437,1153 18.831,1154 9.292,1155 31.278,1156 14.512,1157 1.263,1158 3.229,1159 27.863,1160 2.113,1161 16.452,1162 19.992,1163 9.936,1164 33.467,1165 15.436,1166 6900,1167 10862,1168 17.682,1169 30.336,1170 38.189,1171 38.419,1172 38.351,1173 37.842,1174 37.813,1175 47.378,1176 7.392,1177 100.946,1178 36.166,1179 5.177,1180 5.67,1181 5.986,1182 4.919,1183 4.928,1184 6.728,1185 3.348,1186 15.458,1187 4.695,1188 9.22,1189 1.469,1190 1.478,1191 1.475,1192 1.455,1193 1.454,1194 1.822,1195 0.284,1196 3.883,1197 1.391,1198 3.96,1199 4.017,1200 3.894,1201 3.867,1202 7.428,1203 3.861,1204 3.888,1205 3.933,1206 3.816,1207 3.716,1208 4.997,1209 3.742,1210 3.744,1211 3.804,1212 3.665,1213 3.552,1214 4.75,1215 3.57,1216 3.448,1217 3.518,1218 3.323,1219 3.257,1220 4.294,1221 3.255,1222 3.372,1223 3.438,1224 3.221,1225 3.18,1226 4.182,1227 3.183,1228 3.111,1229 3.206,1230 2.866,1231 2.941,1232 3.863,1233 2.91,1234 2.929,1235 3.02,1236 2.801,1237 2.735,1238 3.787,1239 2.725,1240 2.86,1241 2.954,1242 2.71,1243 2.713,1244 3.674,1245 2.715,1246 0.161,1247 0.141,1248 0.238,1249 0.148,1250 0.113,1251 4.177,1252 0.143,1253 3.67,1254 0.075,1255 6.184,1256 0.354,1257 3.847,1258 0.104,1259 2.928,1260 3.728,1261 1.94,1262 9.215,1263 2.695,1264 1.923,1265 1.891,1266 2.059,1267 2.06,1268 1.277,1269 2.047,1270 1.823,1271 1.761,1272 1.982,1273 2.004,1274 1.229,1275 2.015,1276 1.681,1277 1.623,1278 1.829,1279 1.89,1280 0.91,1281 1.876,1282 1.418,1283 1.349,1284 1.677,1285 1.647,1286 0.825,1287 1.657,1288 1.352,1289 1.288,1290 1.639,1291 1.578,1292 0.755,1293 1.601,1294 1.153,1295 1.064,1296 1.513,1297 1.376,1298 0.7,1299 1.429,1300 0.886,1301 0.821,1302 1.181,1303 1.159,1304 0.349,1305 1.168,1306 0.883,1307 0.801,1308 1.158,1309 1.099,1310 0.265,1311 1.116,1312 3.97,1314 5.242,1316 6.711,1318 8.261,1320 9.85,1322 1.615,1328 4.783,1329 3.357,1333 3.986,1340 28.563,1341 70.355,1342 151.691,1343 190.827,1344 213.556,1345 224.311,1346 224.311,1347 34.202,1348 6.912,1349 61.36,1350 61.36,1351 18,1352 12.031,1353 3.807,1354 3,1355 39.529,1356 98,1357 90,1358 0.196,1359 178.728,1360 306.39,1361 427.857,1362 9462,1364 16.778,1365 0.699,1366 0.583,1367 16.778,1368 13.981,1369 11.72,1370 0.451,1371 0.321,1372 8.213,1373 11.243,1374 8.019,1375 6.641,1376 11.72,1377 8.335,1378 10.147,1379 0.298,1380 0.173,1381 10.147,1382 5.897,1383 8.199,1384 0.195,1385 0.1,1386 8.199,1387 4.213,1388 6.477,1389 0.13,1390 0.056,1391 6.477,1392 2.8,1393 5.082,1394 0.083,1395 0.03,1396 5.082,1397 1.837,1398 0.315,1399 73.366,1400 0.238,1401 24.051,1402 0.513,1403 120,1404 332.649,1405 132.761,1406 322.674,1407 441.93,1408 304,1409 136,1410 324.242,1411 148.707,1412 326.457,1413 471.41,1414 308,1415 4.701}
{0 CHEMBL1766151,1 1.323,2 10.88,3 4.743,4 22.498,5 105.357,6 6.786,7 0.607,8 3.974,9 4.11,10 3.482,11 3.544,12 4.956,13 3.499,14 4.531,15 4.728,16 3.817,17 3.951,18 5.445,19 3.873,20 4.813,21 5.054,22 3.85,23 4.099,24 5.62,25 3.981,26 4.867,27 5.143,28 3.706,29 4.026,30 5.664,31 3.879,32 4.755,33 5.042,34 3.586,35 3.893,36 5.54,37 3.752,38 4.56,39 4.821,40 3.505,41 3.771,42 5.409,43 3.649,44 4.493,45 4.757,46 3.448,47 3.718,48 5.336,49 3.597,50 4.435,51 4.698,52 3.371,53 3.668,54 5.241,55 3.532,56 0.052,57 0.736,58 11.051,59 4.446,60 8.318,61 6.392,62 0.239,63 1.225,64 20.349,65 7.661,66 19.595,67 11.092,68 0.183,69 1.509,70 27.553,71 10.171,72 20.604,73 15.112,74 0.299,75 1.541,76 29.949,77 10.2,78 29.773,79 15.439,80 0.241,81 1.358,82 26.932,83 8.828,84 27.753,85 13.57,86 0.195,87 1.159,88 21.828,89 7.158,90 23.744,91 10.957,92 0.181,93 1.075,94 20.39,95 6.836,96 22.842,97 10.396,98 0.132,99 0.996,100 19.055,101 6.993,102 18.979,103 10.43,104 2,105 38,106 0.224,107 0.556,108 0.741,109 0.81,110 0.843,111 0.856,112 3.267,113 0.973,114 -5.79,115 -5.65,116 -5.26,121 42.9,122 1,123 2,124 1,127 3,144 8,145 3,147 1,149 1,152 1,176 14,179 3,180 4,183 1,185 2,187 17,192 1,197 2,200 12,206 7,209 2,211 3,214 7,219 4,224 3,227 4,232 7,237 3,239 5,244 7,249 1,251 4,256 7,261 1,264 4,269 6,277 5,281 879,282 17.361,283 17.361,284 17.361,285 17.361,286 17.361,287 15.375,288 19.391,289 10.422,290 17.654,291 13.852,292 13.852,293 13.852,294 13.852,295 13.852,296 10.904,297 31.669,298 4.963,299 14.342,300 4.291,301 2.323,302 1.23,303 0.822,304 0.628,305 0.546,306 3.972,311 1,312 1,313 602,314 2.345,318 280.13,322 107.718,325 1.664,326 11.384,328 1,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 52,338 272,339 4.494,340 3.147,341 6.506,342 4.031,343 3.033,344 4.43,345 0.8,346 10.196,347 3.027,348 4.172,349 3.106,350 6.173,351 3.821,352 2.904,353 3.728,354 0.657,355 9.189,356 2.669,357 3.655,358 2.616,359 5.35,360 3.431,361 2.469,362 2.928,364 6.945,365 2.377,366 3.491,367 2.314,368 5.176,369 3.189,370 2.221,371 2.807,373 6.21,374 2.148,375 3.296,376 2.192,377 5.013,378 3.046,379 2.061,380 2.427,382 5.976,383 2.019,384 3.118,385 1.618,386 4.263,387 2.618,388 1.618,389 2.36,391 3.933,392 1.618,393 2.785,394 1.611,395 4.159,396 2.398,397 1.475,398 1.907,400 3.777,401 1.36,402 2.764,403 1.29,404 3.6,405 2.272,406 1.274,407 1.865,409 2.85,410 1.271,411 2.467,412 1.178,413 3.493,414 2.061,415 1.111,416 1.458,418 2.565,419 1.053,420 2.403,421 1.099,422 3.414,423 1.984,424 1,425 1.366,427 2.299,428 0.983,429 2,430 1.077,431 3.391,432 1.978,433 1,434 1,436 2.275,437 0.976,438 1.805,439 0.647,440 3.061,441 1.475,442 0.524,443 0.656,445 1.231,446 0.497,447 1.096,448 -0.092,449 2.543,450 0.826,451 -0.15,452 -0.159,454 -0.332,455 -0.146,456 0.954,457 -0.109,458 2.439,459 0.689,460 -0.286,461 -0.372,463 -0.717,464 -0.278,465 0.882,466 -0.595,467 2.25,468 0.382,469 -0.618,470 -0.899,472 -1.478,473 -0.618,474 12.1,475 0.484,476 0.465,477 0.019,478 33.25,479 1.33,480 17,481 0.68,482 16.25,483 0.65,484 19.736,485 0.789,486 26.3,487 0.537,488 21.106,489 0.844,490 6.187,491 0.247,492 6.106,493 0.244,494 0.041,496 0.281,501 0.955,502 1.349,503 0.871,504 1.088,505 0.855,506 0.993,507 0.939,508 0.97,509 0.977,510 0.983,511 0.735,512 0.983,513 1.037,514 1.165,515 0.993,516 1.068,517 0.877,518 1.034,519 1.222,520 1.003,521 1.06,522 0.989,523 1.246,524 1.006,525 1.398,526 0.949,527 0.991,528 0.862,529 1.295,530 0.885,531 1.523,532 1.054,533 1.087,534 0.955,535 1.307,536 0.977,537 1.445,538 0.951,539 1.028,540 0.878,541 1.297,542 0.91,543 0.994,544 1.052,545 0.953,546 0.992,547 0.923,548 0.973,549 4,550 0.062,551 2.667,552 1.063,553 0.96,554 0.576,555 0.283,556 0.227,557 0.201,558 0.101,559 7970,560 15612,561 2.179,562 49,563 4,564 14,566 1,567 1,569 4,572 1.677,573 2.113,574 3.419,575 -0.396,582 64.843,583 1.323,584 3.292,585 4.385,586 4.793,587 4.987,588 5.069,589 2.889,590 4.404,591 4.619,592 3.562,593 1068.63,594 7.968,595 13163.7,597 1,600 275.121,601 1.078,602 4.606,603 0.143,604 0.004,605 0.07,606 0.028,607 0.031,608 0.021,609 0.011,610 0.009,611 0.009,612 0.005,613 0.33,614 0.33,615 0.88,616 0.372,617 121.679,618 0.034,619 -0.174,620 0.073,621 -0.04,622 0.058,623 0.009,624 0.255,625 0.153,626 -0.001,627 0.008,628 0.219,629 -0.014,630 -0.026,631 -0.147,632 -0.018,633 -0.081,634 0.039,635 -0.054,636 0.002,637 -0.005,638 -0.059,639 -0.048,640 -0.088,641 -0.057,642 -0.128,643 0.039,644 0.02,645 0.069,646 -0.129,647 0.059,648 -0.189,649 -0.016,650 -0.081,651 -0.02,652 -0.108,653 -0.037,654 -0.178,655 0.075,656 -0.026,657 0.065,658 -0.055,659 0.039,660 -0.017,661 -0.073,662 0.027,663 -0.012,664 0.08,665 0.008,666 0.824,667 1.72,668 0.88,669 20.166,670 0.985,671 1.125,672 4.556,673 20.755,674 0.666,675 3.367,676 3.664,677 3.932,678 4.174,679 4.419,680 4.382,681 4.466,682 4.554,683 4.654,684 4.654,685 6.395,686 0.619,687 332.49,688 3.367,689 4.89,690 5.733,691 6.594,692 7.451,693 8.315,694 9.175,695 10.041,696 10.902,697 11.768,698 8.2,703 1,704 1,708 2,714 2,715 9,716 2,720 3,722 17,734 1,736 1,741 49,743 17,744 2,745 28,747 52,748 21,749 14,750 3,751 7,756 4,757 5,763 1,767 2,768 1,770 2,772 14,773 7,774 1,793 24,794 4,795 1,796 4,802 4,808 0.75,823 1,829 4,833 1,859 3,864 1,868 25,876 5,877 1,880 1,881 1,901 11.833,902 8.933,903 5.5,904 3.154,907 3.447,908 1.463,909 1.008,910 4.733,911 10.894,912 3.624,913 4.205,914 4.794,915 5.367,916 5.92,917 6.073,918 6.427,919 6.764,920 7.145,921 7.153,922 1,923 38,924 9.244,926 3.869,927 0.026,929 7.407,931 18.387,933 15.39,936 1.907,937 47.667,939 1,940 1,941 270.735,942 117.627,943 54.706,948 117.627,949 270.735,950 54.706,951 8.825,952 11.386,953 75.81,954 63.353,955 20.503,956 4.227,957 258.964,959 270.735,960 172.333,964 223.651,965 47.084,968 31.158,969 89.594,970 51.582,972 270.735,973 54.706,974 117.627,977 270.735,978 23.945,979 96.807,980 18.011,981 33.571,982 270.735,983 54.706,984 117.627,986 0.574,987 0.335,988 0.183,989 0.103,990 19,991 7,992 0.077,993 4,994 1,995 1.091,996 3.857,997 205.423,998 0.091,999 22,1000 110.096,1005 16.197,1006 7.305,1007 3.707,1008 2.56,1009 54.706,1010 18.725,1011 9.188,1015 3.011,1017 18.011,1018 443.069,1019 36.5,1031 48.243,1032 55.145,1034 0.236,1035 0.586,1036 0.781,1037 0.854,1038 0.888,1039 0.903,1040 4.838,1041 1.274,1042 5.687,1043 3.777,1044 4.344,1045 4.89,1046 1.038,1047 6.454,1048 4.277,1049 6.012,1050 1.111,1051 7.212,1052 2.85,1053 3.761,1054 4.543,1055 0.325,1056 7.261,1057 3.653,1058 7.294,1059 1,1060 8.837,1061 2.565,1062 5.889,1063 7.074,1064 0.607,1065 10.35,1066 5.754,1067 8.613,1068 1,1069 10.524,1070 2.299,1071 6.155,1072 7.622,1073 0.268,1074 12.028,1075 5.982,1076 9.968,1077 0.524,1078 12.253,1079 2.275,1080 7.708,1081 9.589,1082 0.359,1083 14.606,1084 7.512,1085 11.349,1086 -0.15,1087 14.011,1088 1.231,1089 8.389,1090 10.595,1091 0.188,1092 16.642,1093 8.165,1094 12.75,1095 -0.286,1096 15.789,1097 -0.332,1098 9.684,1099 12.301,1100 0.214,1101 19.044,1102 9.44,1103 3.033,1104 -0.618,1105 17.584,1106 -0.717,1107 10.574,1108 13.545,1109 0.125,1110 21.231,1111 10.312,1112 2.904,1113 10.196,1114 19.391,1115 -1.478,1116 11.753,1117 15.127,1118 0.129,1119 23.569,1120 11.475,1121 2.469,1122 9.189,1123 21.207,1124 4.43,1125 12.746,1126 16.49,1127 0.082,1128 25.821,1129 12.458,1130 2.221,1131 6.945,1132 23.032,1133 3.728,1134 13.874,1135 18.016,1136 0.079,1137 28.137,1138 13.574,1139 2.061,1140 6.21,1141 24.862,1142 2.928,1143 14.919,1144 19.439,1145 0.054,1146 30.418,1147 14.613,1148 1.618,1149 5.976,1150 26.698,1151 2.807,1152 16.025,1153 20.939,1154 0.048,1155 32.727,1156 15.712,1157 1.475,1158 3.933,1159 28.537,1160 2.427,1161 17.095,1162 22.393,1163 0.035,1164 35.022,1165 16.779,1166 7416,1167 10518,1168 19.474,1169 32.637,1170 41.614,1171 41.495,1172 42.053,1173 41.379,1174 41.379,1175 53.864,1176 2.915,1177 114.892,1178 39.996,1179 5.494,1180 5.147,1181 6.195,1182 5.103,1183 5.033,1184 7.43,1185 1.457,1186 16.978,1187 5.027,1188 6.73,1189 1.486,1190 1.482,1191 1.502,1192 1.478,1193 1.478,1194 1.924,1195 0.104,1196 4.103,1197 1.428,1198 4.095,1199 4.12,1200 4.047,1201 4.054,1202 5.003,1203 4.05,1204 3.927,1205 3.988,1206 3.86,1207 3.764,1208 4.887,1209 3.774,1210 3.75,1211 3.81,1212 3.641,1213 3.603,1214 4.355,1215 3.61,1216 3.496,1217 3.546,1218 3.392,1219 3.41,1220 4.304,1221 3.4,1222 3.288,1223 3.368,1224 3.158,1225 3.121,1226 4.148,1227 3.119,1228 3.198,1229 3.283,1230 3.027,1231 3.016,1232 3.889,1233 3.008,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.826,1239 2.91,1240 2.917,1241 2.989,1242 2.793,1243 2.741,1244 3.616,1245 2.741,1246 0.16,1247 0.112,1248 0.232,1249 0.144,1250 0.108,1251 4.494,1252 0.158,1253 3.147,1254 0.029,1255 6.506,1256 0.364,1257 4.031,1258 0.108,1259 3.033,1260 4.43,1261 0.8,1262 10.196,1263 3.027,1264 2.081,1265 2.062,1266 2.166,1267 2.138,1268 1.428,1269 2.148,1270 1.872,1271 1.812,1272 2.072,1273 2.056,1274 1.324,1275 2.06,1276 1.714,1277 1.661,1278 1.836,1279 1.895,1280 0.892,1281 1.889,1282 1.507,1283 1.464,1284 1.688,1285 1.636,1286 0.825,1287 1.656,1288 1.269,1289 1.198,1290 1.571,1291 1.498,1292 0.789,1293 1.525,1294 1.205,1295 1.123,1296 1.513,1297 1.422,1298 0.699,1299 1.449,1300 1.153,1301 1.064,1302 1.48,1303 1.376,1304 0.586,1305 1.429,1306 0.905,1307 0.832,1308 1.174,1309 1.104,1310 0.304,1311 1.13,1312 4.043,1314 5.342,1316 6.851,1318 8.451,1320 10.096,1322 2.32,1328 5.296,1329 3.464,1332 0.809,1333 2.295,1340 30.354,1341 64.843,1342 161.288,1343 214.856,1344 234.856,1345 244.366,1346 248.366,1347 28.55,1348 7.447,1349 41.05,1350 41.05,1351 24,1352 12.315,1353 4.17,1354 3.248,1355 36.06,1356 97,1357 95,1358 0.18,1359 186.394,1360 312.6,1361 446.561,1362 18946,1364 17.062,1365 0.682,1366 0.586,1367 17.062,1368 14.651,1369 12.293,1370 0.439,1371 0.324,1372 9,1373 11.999,1374 8.765,1375 7.299,1376 12.293,1377 9.079,1378 10.789,1379 0.284,1380 0.182,1381 10.789,1382 6.903,1383 9.219,1384 0.184,1385 0.101,1386 9.219,1387 5.049,1388 7.66,1389 0.12,1390 0.054,1391 7.66,1392 3.44,1393 6.505,1394 0.079,1395 0.031,1396 6.505,1397 2.532,1398 0.286,1399 75.648,1400 0.227,1401 24.484,1402 0.484,1403 132,1404 295.268,1405 140.132,1406 296.94,1407 423.87,1408 282,1409 154,1410 325.789,1411 162.659,1412 333.847,1413 488.39,1414 316,1415 4.588}
{0 CHEMBL176773,1 1.326,2 27.208,3 7.555,4 57.081,5 200.784,6 5.852,7 0.245,8 4.754,9 4.901,10 4.087,11 4.21,12 5.667,13 4.139,14 5.356,15 5.594,16 4.328,17 4.58,18 6.153,19 4.467,20 5.609,21 5.865,22 4.392,23 4.765,24 6.395,25 4.609,26 5.765,27 6.055,28 4.34,29 4.803,30 6.515,31 4.617,32 5.751,33 6.044,34 4.291,35 4.796,36 6.457,37 4.597,38 5.747,39 6.049,40 4.246,41 4.772,42 6.429,43 4.563,44 5.727,45 6.032,46 4.189,47 4.72,48 6.42,49 4.511,50 5.649,51 5.949,52 4.166,53 4.671,54 6.341,55 4.463,56 0.124,57 1.535,58 28.573,59 11.066,60 17.891,61 16.212,62 0.577,63 2.365,64 50.258,65 16.921,66 39.685,67 25.758,68 0.504,69 2.857,70 62.708,71 22.561,72 56.615,73 33.647,74 0.708,75 3.068,76 71.699,77 24.471,78 80.68,79 37.093,80 0.76,81 3.035,82 70.278,83 24.654,84 70.407,85 37.198,86 0.59,87 2.986,88 69.218,89 24.511,90 65.566,91 37.088,92 0.868,93 2.832,94 68.265,95 23.546,96 75.013,97 35.304,98 0.501,99 2.691,100 62.645,101 22.439,102 58.309,103 33.771,104 69,105 60,106 0.191,107 0.394,108 0.613,109 0.719,110 0.754,111 0.754,112 3.894,113 1.122,114 -5.54,115 -5.42,116 -5.05,121 35.1,123 14,126 6,127 6,144 8,145 2,146 2,160 2,176 19,179 2,180 14,187 16,192 16,200 9,206 14,214 6,218 2,219 12,227 11,232 4,239 14,243 4,244 6,251 18,256 4,264 16,268 1,269 10,277 12,281 7212,282 32.225,283 32.225,284 32.225,285 32.225,286 32.225,287 30.517,288 40.113,289 20.135,290 32.968,291 24.072,292 24.072,293 24.072,294 24.072,295 24.072,296 21.291,297 47.329,298 9.512,299 24.992,300 5.507,301 4.095,302 2.58,303 1.838,304 1.601,305 1.601,306 4.567,313 2664,314 6.481,318 461.568,325 4.542,326 32.342,329 0.5,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.7,337 102,338 1306,339 4.079,340 3.7,341 5.872,342 3.699,343 2.73,344 3.673,345 1.94,346 7.931,347 2.649,348 4.079,349 3.7,350 5.872,351 3.699,352 2.73,353 3.673,354 1.94,355 7.931,356 2.649,357 3.897,358 3.02,359 5.64,360 3.679,361 2.71,362 3.063,363 0.916,364 7.857,365 2.62,366 3.897,367 3.02,368 5.64,369 3.678,370 2.709,371 3.063,372 0.916,373 7.857,374 2.619,375 3.486,376 2.735,377 5.158,378 3.274,379 2.349,380 2.676,381 0.86,382 6.413,383 2.17,384 3.486,385 2.735,386 5.158,387 3.274,388 2.349,389 2.676,390 0.86,391 6.413,392 2.17,393 3.13,394 2.236,395 4.697,396 2.912,397 1.933,398 2.201,399 0.555,400 5.144,401 1.903,402 3.13,403 2.228,404 4.697,405 2.887,406 1.926,407 2.201,408 0.555,409 5.144,410 1.845,411 2.931,412 2.22,413 4.151,414 2.869,415 1.889,416 1.93,417 0.172,418 4.039,419 1.831,420 2.805,421 2.214,422 4.132,423 2.724,424 1.742,425 1.804,426 0.172,427 3.933,428 1.701,429 2.698,430 1.794,431 3.814,432 2.631,433 1.655,434 1.758,436 3.522,437 1.607,438 2.676,439 1.678,440 3.633,441 2.491,442 1.496,443 1.743,445 3.115,446 1.483,447 2.645,448 1.676,449 3.57,450 2.312,451 1.317,452 1.659,454 2.897,455 1.302,456 2.544,457 1.366,458 3.492,459 2.204,460 1.215,461 1.532,463 2.632,464 1.199,465 2.444,466 1.331,467 3.485,468 2.192,469 1.201,470 1.396,472 2.615,473 1.187,474 22.933,475 0.478,476 0.876,477 0.018,478 45,479 0.938,480 16,481 0.333,482 29,483 0.604,484 61.033,485 1.272,486 58.067,487 0.509,488 36.064,489 0.751,490 8.477,491 0.177,492 14.733,493 0.307,494 0.16,496 0.201,501 0.797,502 1.694,503 1.067,504 1.465,505 0.589,506 1.317,507 1.188,508 1.057,509 1.118,510 1.012,511 0.647,512 1.036,513 0.992,514 1.21,515 1.095,516 1.186,517 0.977,518 1.154,519 1.121,520 1.021,521 1.044,522 1.003,523 1.424,524 1.013,525 0.939,526 1.005,527 1.037,528 1.012,529 1.062,530 1.032,531 0.813,532 1.038,533 0.985,534 1.043,535 0.997,536 1.032,537 1.058,538 0.852,539 1.012,540 0.91,541 1.095,542 0.952,543 0.776,544 1.104,545 0.949,546 1.082,547 0.908,548 1.044,549 8.5,550 0.24,551 3.778,552 2.625,553 1.644,554 1.083,555 0.65,556 0.431,557 0.337,558 0.251,559 60989,560 125745,561 1.939,562 57.9,563 16,564 38,568 4,569 8,572 1.832,573 1.823,574 4.672,575 -0.829,582 151.142,583 1.326,584 2.738,585 4.253,586 4.995,587 5.232,588 5.232,589 4.085,590 4.502,591 5.557,592 4.928,593 5559.1,594 9.802,595 144971,600 778.949,601 1.326,602 5.517,603 0.173,604 0.005,605 0.063,606 0.043,607 0.029,608 0.02,609 0.013,610 0.009,611 0.007,612 0.006,613 0.37,614 0.17,615 0.63,616 0.738,617 307.418,618 0.044,619 -0.298,620 0.049,621 -0.149,622 0.03,623 -0.066,624 -0.047,625 0.132,626 -0.035,627 0.056,628 0.039,629 0.022,630 -0.049,631 -0.116,632 -0.074,633 -0.113,634 -0.004,635 -0.098,636 -0.082,637 -0.026,638 -0.045,639 -0.02,640 -0.098,641 -0.027,642 -0.018,643 -0.011,644 -0.054,645 -0.021,646 -0.067,647 -0.04,648 -0.018,649 -0.06,650 -0.024,651 -0.056,652 -0.04,653 -0.042,654 -0.011,655 0.097,656 -0.029,657 0.043,658 -0.05,659 0.008,660 0.017,661 -0.138,662 0.006,663 -0.085,664 0.008,665 -0.048,666 1.399,667 5.537,668 0.25,669 108.104,670 0.983,671 1.138,672 4.311,673 18.584,674 0.609,675 3.912,676 4.111,677 4.22,678 4.29,679 4.357,680 4.29,681 4.248,682 4.205,683 4.127,684 4.078,685 15.762,686 0.555,687 667.1,688 3.912,689 5.389,690 6.159,691 6.957,692 7.739,693 8.541,694 9.327,695 10.131,696 10.92,697 11.726,698 3.5,701 2,705 2,715 8,720 4,722 12,739 2,741 114,743 14,744 2,745 49,747 115,748 40,749 12,750 4,751 8,756 2,757 2,770 14,772 14,773 26,777 2,782 2,786 2,793 66,794 8,796 8,802 4,808 1,809 4,829 2,844 2,855 2,859 2,864 6,868 48,876 20,878 2,881 4,893 3.5,896 2,898 2,901 26.333,902 21.633,903 11.306,904 7.361,907 1.448,908 1.193,909 0.905,910 22.184,911 8.963,912 4.06,913 4.431,914 4.758,915 5.083,916 5.436,917 5.318,918 5.296,919 5.236,920 5.04,921 5.006,922 0.944,923 61,924 17.882,926 6.949,927 0.026,929 7.521,931 35.53,933 27.641,936 2.021,937 97,941 776.893,942 205.547,943 12.497,945 72.29,948 205.547,949 849.182,950 12.497,951 55.352,952 54.366,953 75.81,954 59.699,955 45.106,957 776.893,959 776.893,960 218.044,961 72.29,964 682.724,965 166.458,968 60.615,969 157.429,972 776.893,973 84.787,974 205.547,977 776.893,978 74.385,979 143.659,981 72.29,982 776.893,983 84.787,984 205.547,986 0.551,987 0.305,988 0.146,989 0.074,990 16,991 10,992 0.235,993 27,995 1,996 6.123,997 394.939,999 12,1000 220.078,1005 41.728,1006 25.519,1007 19.374,1009 84.787,1010 16.454,1015 4.31,1018 1067.23,1019 57,1024 25.073,1028 0.536,1031 112.108,1032 129.702,1034 0.194,1035 0.401,1036 0.622,1037 0.731,1038 0.766,1039 0.766,1040 5.252,1041 1.926,1042 6.075,1043 5.144,1044 4.796,1045 5.118,1046 3.013,1047 6.715,1048 4.727,1049 6.35,1050 1.889,1051 7.535,1052 5.144,1053 4.111,1054 4.635,1055 2.339,1056 7.273,1057 3.971,1058 7.573,1059 1.742,1060 9.091,1061 4.039,1062 6.232,1063 7.001,1064 3.737,1065 10.281,1066 6.092,1067 8.826,1068 1.655,1069 10.704,1070 3.933,1071 6.365,1072 7.332,1073 3.823,1074 11.65,1075 6.147,1076 10.112,1077 1.496,1078 12.353,1079 3.522,1080 7.901,1081 9.196,1082 4.841,1083 14.129,1084 7.69,1085 11.42,1086 1.317,1087 14.028,1088 3.115,1089 8.438,1090 9.912,1091 5.232,1092 15.849,1093 8.157,1094 12.745,1095 1.215,1096 15.72,1097 2.897,1098 9.706,1099 11.558,1100 6.078,1101 18.111,1102 9.426,1103 2.73,1104 1.201,1105 17.424,1106 2.632,1107 10.457,1108 12.483,1109 6.605,1110 20,1111 10.118,1112 2.73,1113 7.931,1114 19.139,1115 2.615,1116 11.591,1117 14.01,1118 7.363,1119 22.161,1120 11.245,1121 2.71,1122 7.931,1123 20.86,1124 3.673,1125 12.457,1126 15.06,1127 7.956,1128 24.135,1129 12.062,1130 2.709,1131 7.857,1132 22.588,1133 3.673,1134 13.523,1135 16.514,1136 8.669,1137 26.248,1138 13.115,1139 2.349,1140 7.857,1141 24.32,1142 3.063,1143 14.45,1144 17.645,1145 9.296,1146 28.265,1147 13.999,1148 2.349,1149 6.413,1150 26.056,1151 3.063,1152 15.481,1153 19.05,1154 9.985,1155 30.354,1156 15.013,1157 1.933,1158 6.413,1159 27.796,1160 2.676,1161 16.441,1162 20.236,1163 10.629,1164 32.394,1165 15.934,1166 60312,1167 86792,1168 31.781,1169 69.444,1170 68.257,1171 70.168,1172 70.501,1173 67.905,1174 67.938,1175 78.635,1176 17.779,1177 170.854,1178 65.585,1179 5.071,1180 5.7,1181 5.763,1182 4.724,1183 4.73,1184 6.673,1185 3.348,1186 13.663,1187 4.649,1188 29.809,1189 1.393,1190 1.432,1191 1.439,1192 1.386,1193 1.386,1194 1.605,1195 0.363,1196 3.487,1197 1.338,1198 3.981,1199 4.023,1200 3.9,1201 3.885,1202 7.429,1203 3.884,1204 3.921,1205 3.953,1206 3.856,1207 3.843,1208 7.425,1209 3.842,1210 3.849,1211 3.902,1212 3.735,1213 3.71,1214 4.881,1215 3.703,1216 3.793,1217 3.849,1218 3.681,1219 3.633,1220 4.852,1221 3.631,1222 3.736,1223 3.799,1224 3.579,1225 3.607,1226 4.411,1227 3.591,1228 3.672,1229 3.744,1230 3.531,1231 3.493,1232 4.403,1233 3.49,1234 3.605,1235 3.672,1236 3.477,1237 3.399,1238 4.293,1239 3.41,1240 3.51,1241 3.585,1242 3.345,1243 3.329,1244 4.233,1245 3.325,1246 0.083,1247 0.076,1248 0.12,1249 0.075,1250 0.056,1251 4.079,1252 0.075,1253 3.7,1254 0.04,1255 5.872,1256 0.162,1257 3.699,1258 0.054,1259 2.73,1260 3.673,1261 1.94,1262 7.931,1263 2.649,1264 1.912,1265 1.885,1266 2.057,1267 2.028,1268 1.411,1269 2.036,1270 1.912,1271 1.885,1272 2.045,1273 2.027,1274 1.357,1275 2.034,1276 1.818,1277 1.758,1278 2.041,1279 1.993,1280 1.354,1281 2.012,1282 1.774,1283 1.717,1284 1.99,1285 1.957,1286 1.229,1287 1.967,1288 1.75,1289 1.69,1290 1.981,1291 1.913,1292 1.177,1293 1.94,1294 1.655,1295 1.585,1296 1.903,1297 1.862,1298 1.172,1299 1.879,1300 1.561,1301 1.494,1302 1.8,1303 1.796,1304 1.024,1305 1.801,1306 1.499,1307 1.427,1308 1.764,1309 1.719,1310 0.995,1311 1.741,1312 4.595,1314 5.826,1316 7.219,1318 8.687,1320 10.196,1322 11.583,1328 19.923,1330 10.637,1333 8.484,1340 63.276,1341 151.142,1342 312.167,1343 484.871,1344 569.401,1345 596.42,1346 596.42,1347 186.422,1348 7.515,1349 65.56,1350 65.56,1351 12,1352 12.322,1353 3.907,1354 3.17,1355 152.619,1356 466,1357 386,1358 0.148,1359 399.42,1360 712.08,1361 966.346,1362 28741,1364 34.987,1365 0.729,1366 0.65,1367 34.987,1368 31.183,1369 23.21,1370 0.474,1371 0.374,1372 18.074,1373 22.323,1374 17.391,1375 14.723,1376 23.21,1377 18.323,1378 19.179,1379 0.32,1380 0.226,1381 19.179,1382 13.552,1383 14.633,1384 0.218,1385 0.136,1386 14.633,1387 9.123,1388 10.398,1389 0.144,1390 0.084,1391 10.398,1392 6.029,1393 7.459,1394 0.097,1395 0.051,1396 7.459,1397 3.916,1398 0.258,1399 145.358,1400 0.177,1401 44.725,1402 0.347,1403 218,1404 559.523,1405 235.846,1406 531.286,1407 700.54,1408 498,1409 236,1410 476.814,1411 254.628,1412 492.63,1413 691.56,1414 452,1415 6.17}
{0 CHEMBL177052,1 1.371,2 26,3 9.614,4 92.437,5 206.964,6 6.286,7 0.245,8 4.731,9 4.879,10 4.126,11 4.238,12 5.618,13 4.152,14 5.338,15 5.574,16 4.413,17 4.621,18 6.128,19 4.488,20 5.636,21 5.905,22 4.531,23 4.805,24 6.406,25 4.634,26 5.747,27 6.025,28 4.452,29 4.834,30 6.524,31 4.637,32 5.764,33 6.064,34 4.421,35 4.84,36 6.448,37 4.635,38 5.766,39 6.054,40 4.408,41 4.861,42 6.49,43 4.644,44 5.764,45 6.064,46 4.274,47 4.815,48 6.47,49 4.577,50 5.683,51 5.997,52 4.218,53 4.7,54 6.345,55 4.472,56 0.112,57 1.508,58 27.661,59 11.062,60 13.668,61 16.175,62 0.479,63 2.375,64 51.505,65 17.603,66 33.898,67 26.561,68 0.535,69 2.859,70 70.871,71 23.894,72 56.977,73 35.028,74 0.82,75 3.006,76 82.367,77 25.905,78 85.706,79 37.932,80 0.624,81 3.078,82 77.421,83 26.643,84 63.675,85 39.082,86 0.657,87 3.047,88 82.226,89 27.658,90 73.645,91 39.855,92 0.805,93 2.961,94 81.887,95 27.743,96 79.745,97 39.663,98 0.514,99 2.736,100 71.179,101 24.633,102 56.165,103 35.954,104 69,105 60,106 0.198,107 0.398,108 0.61,109 0.718,110 0.758,111 0.758,112 3.894,113 1.188,114 -7.39,115 -7.17,116 -6.62,121 35.7,122 2,123 14,126 2,127 8,144 8,145 2,146 2,160 2,176 19,179 2,180 12,187 20,192 10,200 13,206 16,214 12,219 12,227 13,232 4,239 24,243 4,244 4,251 24,256 2,264 18,268 1,269 12,277 16,281 6960,282 32.329,283 32.329,284 32.329,285 32.329,286 32.329,287 30.461,288 35.161,289 20.18,290 33.008,291 24.028,292 24.028,293 24.028,294 24.028,295 24.028,296 21.248,297 36.974,298 9.472,299 25.096,300 5.436,301 4.051,302 2.586,303 1.84,304 1.563,305 1.563,306 4.567,308 2,313 2546,314 6.481,318 462.325,325 4.333,326 34.128,329 0.5,330 0.5,331 0.5,332 0.8,333 1,334 0.5,335 0.5,336 0.61,337 100.667,338 1248,339 4.176,340 3.7,341 6.061,342 3.782,343 2.84,344 3.779,345 1.94,346 8.744,347 2.654,348 4.176,349 3.7,350 6.061,351 3.782,352 2.84,353 3.779,354 1.94,355 8.744,356 2.654,357 3.897,358 3.241,359 5.872,360 3.68,361 2.711,362 3.063,363 0.916,364 7.931,365 2.62,366 3.897,367 3.241,368 5.872,369 3.679,370 2.71,371 3.063,372 0.916,373 7.931,374 2.619,375 3.422,376 2.749,377 5.257,378 3.278,379 2.361,380 2.462,381 0.555,382 6.604,383 2.157,384 3.422,385 2.749,386 5.257,387 3.278,388 2.361,389 2.462,390 0.555,391 6.604,392 2.157,393 2.934,394 2.234,395 4.159,396 2.902,397 1.902,398 2.039,399 0.172,400 4.047,401 1.899,402 2.88,403 2.219,404 4.149,405 2.759,406 1.772,407 2.039,408 0.172,409 3.951,410 1.742,411 2.877,412 1.909,413 4.135,414 2.681,415 1.697,416 1.939,418 3.727,419 1.666,420 2.832,421 1.909,422 4.125,423 2.539,424 1.54,425 1.927,427 3.707,428 1.534,429 2.818,430 1.794,431 3.816,432 2.433,433 1.444,434 1.917,436 3.512,437 1.428,438 2.789,439 1.686,440 3.652,441 2.409,442 1.414,443 1.798,445 3.134,446 1.406,447 2.678,448 1.684,449 3.608,450 2.344,451 1.414,452 1.68,454 2.987,455 1.308,456 2.57,457 1.497,458 3.594,459 2.334,460 1.414,461 1.557,463 2.96,464 1.228,465 2.46,466 1.497,467 3.573,468 2.304,469 1.314,470 1.415,472 2.89,473 1.226,474 23.695,475 0.494,476 0.842,477 0.018,478 43.5,479 0.906,480 15,481 0.313,482 28.5,483 0.594,484 65.947,485 1.374,486 57.305,487 0.512,488 32.173,489 0.67,490 7.65,491 0.159,492 15.593,493 0.325,494 0.173,496 0.194,501 0.672,502 1.633,503 0.839,504 1.29,505 0.539,506 1.237,507 0.895,508 1.179,509 0.879,510 1.022,511 0.549,512 1.069,513 1.023,514 1.092,515 0.908,516 0.997,517 0.9,518 1.011,519 1.322,520 1.046,521 1.116,522 1.056,523 1.474,524 1.064,525 0.918,526 0.951,527 0.8,528 0.897,529 0.952,530 0.928,531 1.058,532 1.004,533 1.067,534 1.041,535 1.071,536 1.05,537 0.932,538 0.943,539 1.079,540 1.049,541 1.064,542 1.054,543 0.749,544 1.016,545 0.787,546 0.964,547 0.862,548 0.943,549 7.5,550 0.273,551 4.667,552 2.375,553 1.884,554 0.958,555 0.609,556 0.486,557 0.386,558 0.251,559 59501,560 131801,561 1.939,562 57.1,563 16,564 30,568 4,569 14,572 1.832,573 1.823,574 4.589,575 -0.829,582 153.547,583 1.371,584 2.756,585 4.222,586 4.968,587 5.245,588 5.245,589 3.97,590 4.502,591 5.559,592 4.872,593 5495.87,594 9.806,595 141436,600 762.424,601 1.326,602 5.517,603 0.153,604 0.006,605 0.078,606 0.038,607 0.034,608 0.017,609 0.011,610 0.01,611 0.008,612 0.005,613 0.36,614 0.33,615 0.63,616 0.738,617 306.28,618 0.034,619 -0.25,620 0.024,621 -0.095,622 0.016,623 -0.046,624 0.022,625 0.027,626 -0.004,627 0.003,628 0.053,629 -0.027,630 -0.036,631 -0.031,632 0.027,633 0.003,634 0.027,635 -0.004,636 -0.087,637 -0.048,638 -0.092,639 -0.07,640 -0.115,641 -0.08,642 -0.035,643 0.03,644 0.037,645 0.053,646 -0.033,647 0.041,648 -0.084,649 -0.023,650 -0.074,651 -0.046,652 -0.07,653 -0.057,654 0.014,655 0.004,656 -0.093,657 -0.066,658 -0.062,659 -0.072,660 0.041,661 -0.085,662 0.048,663 -0.018,664 -0.001,665 0.019,666 1.4,667 5.571,668 0.25,669 102.417,670 0.983,671 1.135,672 6.156,673 37.901,674 0.627,675 3.912,676 4.111,677 4.248,678 4.29,679 4.382,680 4.263,681 4.19,682 4.205,683 4.19,684 4.111,685 15.342,686 0.567,687 703.98,688 3.912,689 5.389,690 6.168,691 6.965,692 7.758,693 8.559,694 9.357,695 10.16,696 10.962,697 11.766,698 3.6,701 2,705 2,715 8,720 4,722 12,740 2,741 112,743 14,744 2,745 49,747 113,748 40,749 12,750 4,751 8,756 2,757 2,758 2,763 2,770 14,772 14,773 26,777 2,782 2,786 2,793 64,794 6,796 8,797 2,802 4,808 1,809 2,829 2,844 2,855 2,859 2,864 4,865 2,868 48,876 22,881 4,892 2,893 1.8,896 2,901 26.333,902 20.586,903 11.361,904 7.83,907 1.394,908 1.187,909 0.915,910 23.021,911 8.859,912 4.06,913 4.431,914 4.766,915 5.042,916 5.399,917 5.176,918 5.13,919 5.241,920 5.22,921 5.059,922 0.941,923 63,924 17.908,926 7.031,927 0.026,929 7.525,931 35.667,933 28.139,936 2.025,937 97.222,941 753.351,942 185.364,943 12.497,944 78.297,945 50.29,948 185.364,949 881.938,950 12.497,951 34.443,952 58.578,953 75.81,954 59.699,955 19.621,957 753.351,958 78.297,959 753.351,960 197.861,961 50.29,962 78.297,964 588.555,965 215.085,968 82.477,969 115.384,970 78.297,972 753.351,973 62.787,974 263.661,977 753.351,978 75.111,979 122.75,981 128.587,982 753.351,983 62.787,984 263.661,986 0.552,987 0.314,988 0.147,989 0.076,990 16,991 10,992 0.239,993 27,995 1,996 6.052,997 399.604,999 12,1000 220.078,1005 42.375,1006 26.076,1007 18.695,1009 62.787,1010 16.122,1015 4.02,1018 1079.8,1019 57,1024 25.142,1028 0.532,1031 110.101,1032 127.171,1034 0.201,1035 0.405,1036 0.62,1037 0.73,1038 0.77,1039 0.77,1040 5.252,1041 1.772,1042 6.084,1043 4.047,1044 4.796,1045 5.118,1046 2.856,1047 6.744,1048 4.707,1049 6.35,1050 1.697,1051 7.561,1052 3.951,1053 4.111,1054 4.635,1055 2.339,1056 7.391,1057 3.877,1058 7.577,1059 1.54,1060 9.141,1061 3.727,1062 6.248,1063 7.01,1064 3.684,1065 10.416,1066 6.064,1067 8.837,1068 1.444,1069 10.785,1070 3.707,1071 6.431,1072 7.402,1073 3.823,1074 11.919,1075 6.093,1076 10.135,1077 1.414,1078 12.471,1079 3.512,1080 7.962,1081 9.25,1082 4.828,1083 14.416,1084 7.667,1085 11.458,1086 1.414,1087 14.185,1088 3.134,1089 8.564,1090 10.055,1091 5.232,1092 16.263,1093 8.129,1094 12.801,1095 1.414,1096 15.918,1097 2.987,1098 9.826,1099 11.681,1100 6.075,1101 18.56,1102 9.413,1103 2.84,1104 1.314,1105 17.665,1106 2.96,1107 10.638,1108 12.698,1109 6.605,1110 20.561,1111 10.107,1112 2.84,1113 8.744,1114 19.422,1115 2.89,1116 11.775,1117 14.209,1118 7.363,1119 22.774,1120 11.242,1121 2.711,1122 8.744,1123 21.185,1124 3.779,1125 12.692,1126 15.344,1127 7.956,1128 24.849,1129 12.061,1130 2.71,1131 7.931,1132 22.954,1133 3.779,1134 13.769,1135 16.788,1136 8.669,1137 27.026,1138 13.118,1139 2.361,1140 7.931,1141 24.726,1142 3.063,1143 14.739,1144 17.994,1145 9.296,1146 29.139,1147 14.005,1148 2.361,1149 6.604,1150 26.502,1151 3.063,1152 15.79,1153 19.397,1154 9.985,1155 31.301,1156 15.021,1157 1.902,1158 6.604,1159 28.28,1160 2.462,1161 16.787,1162 20.648,1163 10.629,1164 33.434,1165 15.946,1166 58838,1167 87836,1168 31.781,1169 70.251,1170 68.153,1171 70.341,1172 71.059,1173 68.26,1174 67.815,1175 78.574,1176 14.339,1177 171.688,1178 64.754,1179 5.168,1180 5.7,1181 5.952,1182 4.807,1183 4.84,1184 6.779,1185 3.348,1186 14.834,1187 4.654,1188 29.666,1189 1.391,1190 1.436,1191 1.45,1192 1.393,1193 1.384,1194 1.604,1195 0.293,1196 3.504,1197 1.322,1198 3.98,1199 4.024,1200 4.031,1201 3.901,1202 7.429,1203 3.892,1204 3.92,1205 3.953,1206 4,1207 3.861,1208 7.425,1209 3.852,1210 3.849,1211 3.901,1212 3.748,1213 3.713,1214 4.943,1215 3.705,1216 3.793,1217 3.849,1218 3.684,1219 3.636,1220 4.921,1221 3.633,1222 3.74,1223 3.803,1224 3.596,1225 3.612,1226 4.367,1227 3.595,1228 3.683,1229 3.754,1230 3.562,1231 3.502,1232 4.349,1233 3.503,1234 3.626,1235 3.693,1236 3.505,1237 3.433,1238 4.298,1239 3.439,1240 3.544,1241 3.621,1242 3.376,1243 3.378,1244 4.256,1245 3.367,1246 0.085,1247 0.076,1248 0.124,1249 0.077,1250 0.058,1251 4.176,1252 0.077,1253 3.7,1254 0.04,1255 6.061,1256 0.178,1257 3.782,1258 0.054,1259 2.84,1260 3.779,1261 1.94,1262 8.744,1263 2.654,1264 1.913,1265 1.887,1266 2.056,1267 2.021,1268 1.411,1269 2.035,1270 1.913,1271 1.887,1272 2.042,1273 2.019,1274 1.363,1275 2.032,1276 1.818,1277 1.758,1278 2.037,1279 1.99,1280 1.36,1281 2.01,1282 1.776,1283 1.719,1284 1.984,1285 1.952,1286 1.232,1287 1.964,1288 1.753,1289 1.693,1290 1.976,1291 1.909,1292 1.195,1293 1.937,1294 1.663,1295 1.593,1296 1.906,1297 1.864,1298 1.187,1299 1.883,1300 1.595,1301 1.526,1302 1.847,1303 1.811,1304 1.041,1305 1.826,1306 1.552,1307 1.477,1308 1.833,1309 1.754,1310 1.03,1311 1.786,1312 4.595,1314 5.826,1316 7.228,1318 8.708,1320 10.23,1322 8.264,1323 12.657,1328 21.82,1333 8.665,1340 63.501,1341 153.547,1342 308.683,1343 472.836,1344 556.385,1345 587.404,1346 587.404,1347 197.342,1348 7.465,1349 47.1,1350 47.1,1351 12,1352 12.36,1353 3.907,1354 3.17,1355 152.573,1356 456,1357 348,1358 0.152,1359 408.094,1360 724.92,1361 987.508,1362 26140,1363 1.8,1364 34.987,1365 0.729,1366 0.668,1367 35.987,1368 32.048,1369 23.244,1370 0.474,1371 0.396,1372 18.543,1373 22.084,1374 17.894,1375 15.033,1376 23.821,1377 19.397,1378 18.947,1379 0.316,1380 0.235,1381 19.689,1382 14.108,1383 15.061,1384 0.218,1385 0.147,1386 15.821,1387 10.154,1388 10.25,1389 0.142,1390 0.089,1391 10.757,1392 6.437,1393 7.652,1394 0.097,1395 0.056,1396 8.107,1397 4.399,1398 0.264,1399 149.511,1400 0.177,1401 44.537,1402 0.358,1403 218,1404 524.458,1405 261.794,1406 569.298,1407 737.78,1408 530,1409 238,1410 466.153,1411 275.066,1412 496.449,1413 708.7,1414 464,1415 6.95}
{0 CHEMBL1770548,1 1.558,2 19.368,3 1.27,4 1.614,5 148.932,6 7.09,7 0.3,8 4.384,9 4.503,10 3.874,11 3.835,12 5.527,13 3.825,14 4.897,15 5.079,16 4.165,17 4.186,18 5.974,19 4.151,20 5.141,21 5.348,22 4.278,23 4.316,24 6.286,25 4.256,26 5.218,27 5.455,28 4.142,29 4.305,30 6.249,31 4.207,32 5.213,33 5.458,34 4.016,35 4.282,36 6.218,37 4.153,38 5.163,39 5.415,40 3.926,41 4.213,42 6.122,43 4.076,44 5.117,45 5.388,46 3.883,47 4.108,48 6.07,49 3.988,50 4.985,51 5.23,52 3.843,53 4.039,54 5.986,55 3.935,56 0.133,57 1.026,58 16.57,59 6.69,60 20.18,61 8.88,62 0.362,63 1.562,64 29.715,65 10.211,66 36.835,67 14.351,68 0.717,69 1.856,70 39.206,71 12.819,72 82.441,73 18.565,74 0.743,75 1.903,76 43.481,77 13.643,78 85.212,79 19.953,80 0.871,81 1.825,82 43.872,83 14.29,84 113.034,85 20.679,86 0.693,87 1.743,88 41.627,89 13.31,90 95.627,91 19.707,92 0.781,93 1.635,94 40.733,95 11.469,96 93.599,97 17.698,98 0.681,99 1.469,100 35.039,101 10.375,102 82.811,103 15.435,104 41,105 52,106 0.242,107 0.591,108 0.762,109 0.816,110 0.829,111 0.837,112 3.667,113 0.937,114 -1.06,115 -1.16,116 -1.25,121 37.8,123 2,126 2,127 6,137 2,140 2,144 6,145 2,146 4,158 2,176 6,180 5,185 9,187 4,191 1,192 6,195 2,196 1,197 10,200 3,206 2,209 3,210 1,211 4,214 4,219 1,222 4,224 1,227 6,232 2,236 2,237 4,239 2,244 5,247 1,248 1,249 5,256 1,259 1,260 1,261 3,264 2,268 1,269 1,272 2,273 1,274 1,277 7,281 3456,282 25.706,283 25.706,284 25.706,285 25.706,286 25.706,287 23.373,288 41.174,289 15.571,290 26.376,291 19.599,292 19.599,293 19.599,294 19.599,295 19.599,296 15.906,297 59.138,298 7.257,299 20.501,300 4.652,301 2.414,302 1.315,303 0.966,304 0.885,305 0.831,306 4.35,313 1534,314 4.359,318 488.328,325 3.717,326 47.623,329 0.5,330 0.33,331 0.5,332 0.8,333 1,334 0.33,336 0.5,337 84,338 736,339 4.381,340 3.581,341 6.25,342 3.974,343 2.988,344 3.89,345 0.86,346 9.366,347 2.947,348 4.241,349 3.15,350 6.069,351 3.825,352 2.866,353 3.89,354 0.86,355 8.757,356 2.746,357 4.241,358 3.15,359 6.069,360 3.825,361 2.866,362 3.846,363 0.657,364 8.757,365 2.746,366 3.773,367 2.89,368 5.741,369 3.392,370 2.422,371 3.014,372 0.657,373 7.583,374 2.34,375 3.536,376 2.608,377 5.223,378 3.217,379 2.251,380 2.838,381 0.6,382 6.51,383 2.162,384 3.536,385 2.607,386 5.223,387 3.216,388 2.251,389 2.838,390 0.4,391 6.51,392 2.162,393 3.266,394 2.436,395 4.559,396 2.782,397 1.801,398 2.385,400 4.72,401 1.757,402 2.884,403 1.985,404 4.206,405 2.719,406 1.756,407 2.022,409 3.838,410 1.686,411 2.884,412 1.983,413 4.206,414 2.58,415 1.608,416 2.021,418 3.837,419 1.558,420 2.837,421 1.972,422 3.915,423 2.463,424 1.531,425 1.828,427 3.651,428 1.42,429 2.729,430 1.837,431 3.78,432 2.463,433 1.531,434 1.726,436 3.469,437 1.419,438 2.511,439 1.688,440 3.594,441 2.175,442 1.248,443 1.411,445 2.771,446 1.152,447 2.159,448 1.27,449 3.313,450 1.993,451 1.051,452 1.118,454 2.268,455 0.987,456 1.991,457 1.174,458 3.105,459 1.669,460 0.71,461 0.837,463 1.621,464 0.674,465 1.742,466 0.941,467 2.887,468 1.445,469 0.547,470 0.633,472 1.009,473 0.485,474 17.6,475 0.463,476 0.767,477 0.02,478 44,479 1.158,480 20,481 0.526,482 24,483 0.632,484 34.722,485 0.914,486 43.6,487 0.589,488 37.77,489 0.994,490 9.352,491 0.246,492 9.054,493 0.238,494 0.133,496 0.284,501 0.974,502 1.354,503 0.892,504 1.168,505 0.883,506 1.03,507 1.034,508 1.157,509 0.957,510 1.04,511 0.674,512 0.976,513 0.826,514 1.195,515 0.936,516 1.112,517 0.784,518 1.05,519 0.955,520 1.044,521 1.06,522 1.078,523 0.92,524 1.082,525 0.912,526 1.001,527 1.07,528 1.048,529 1.004,530 1.092,531 0.895,532 1.131,533 1.072,534 1.112,535 1.12,536 1.132,537 0.995,538 0.945,539 1.007,540 0.88,541 1.038,542 0.928,543 1.089,544 1.005,545 1.09,546 0.965,547 1.157,548 1.014,549 7,550 0.198,551 4,552 2.125,553 1.991,554 0.875,555 0.527,556 0.33,557 0.304,558 0.242,559 29178,560 82968,561 1.995,562 48.6,564 26,567 6,570 4,572 1.778,573 1.869,574 4.183,575 2.999,582 115.267,583 1.558,584 3.795,585 4.895,586 5.243,587 5.324,588 5.378,589 3.616,590 3.998,591 5.217,592 4.459,593 3134.41,594 9.134,595 62119.8,600 459.5,601 1.384,602 5.178,603 0.175,604 0.005,605 0.077,606 0.039,607 0.043,608 0.022,609 0.015,610 0.009,611 0.009,612 0.007,613 0.401,614 0.17,615 0.5,616 0.782,617 222.635,618 -0.117,619 -0.076,620 0.006,621 0.003,622 -0.107,623 0.027,624 -0.133,625 0.007,626 -0.014,627 0.02,628 -0.001,629 0.033,630 0.098,631 -0.115,632 0.026,633 -0.09,634 0.11,635 -0.052,636 -0.038,637 -0.017,638 -0.084,639 -0.099,640 -0.038,641 -0.1,642 0.002,643 -0.034,644 -0.095,645 -0.053,646 -0.031,647 -0.093,648 -0.039,649 -0.164,650 -0.103,651 -0.124,652 -0.112,653 -0.132,654 -0.067,655 0.014,656 -0.008,657 0.043,658 -0.081,659 0.032,660 -0.099,661 -0.01,662 -0.097,663 -0.009,664 -0.121,665 -0.047,666 1.908,667 5.42,668 0.474,669 66.892,670 1.007,671 1.134,672 -0.168,673 0.028,674 0.634,675 3.714,676 3.97,677 4.174,678 4.317,679 4.489,680 4.394,681 4.317,682 4.263,683 4.263,684 4.317,685 11.575,686 0.605,687 524.68,688 3.714,689 5.22,690 6.033,691 6.868,692 7.697,693 8.534,694 9.369,695 10.208,696 11.045,697 11.885,698 5.4,700 3,707 1,715 6,720 6,722 12,738 2,739 2,741 74,743 16,744 2,745 40,747 76,748 28,749 12,750 6,751 6,752 6,756 3,757 3,770 2,772 18,773 10,777 4,782 1,784 2,785 1,786 4,793 36,794 10,795 6,796 10,802 4,808 1,809 6,829 3,839 1,841 1,849 4,853 3,857 1,859 3,864 2,868 38,875 3,876 8,877 3,878 2,893 8.1,895 3,896 1,898 2,901 20.333,902 13.217,903 8.778,904 4.168,907 3.034,908 1.394,909 0.907,910 11.955,911 10.735,912 3.932,913 4.443,914 4.938,915 5.36,916 5.812,917 5.783,918 5.715,919 5.639,920 5.647,921 5.791,922 0.923,923 55,924 14.067,926 5.79,927 0.026,929 7.899,931 26.495,933 20.72,936 2.399,937 91.167,941 353.133,942 142.784,943 70.818,945 175.195,948 142.784,949 528.328,950 70.818,951 21.766,952 17.703,953 129.842,954 163.842,955 55.643,957 353.133,959 353.133,960 213.602,961 175.195,964 306.049,965 222.279,968 88.521,969 103.372,970 21.709,972 353.133,973 246.013,974 142.784,977 353.133,978 45.208,979 97.576,980 54.032,981 191.98,982 353.133,983 246.013,984 142.784,986 0.564,987 0.331,988 0.169,989 0.091,990 19,991 10,992 0.197,993 15,995 1,996 5.106,997 316.497,999 18,1000 199.421,1005 29.516,1006 15.392,1007 9.344,1009 246.013,1010 10.415,1015 3.068,1017 182.082,1018 741.93,1019 50,1024 12.42,1026 2.776,1027 4.331,1028 0.381,1031 74.509,1032 83.893,1034 0.251,1035 0.611,1036 0.788,1037 0.844,1038 0.857,1039 0.866,1040 5.147,1041 1.756,1042 5.984,1043 4.72,1044 4.654,1045 5.13,1046 1.906,1047 6.715,1048 4.573,1049 6.322,1050 1.608,1051 7.501,1052 3.838,1053 4.111,1054 4.868,1056 7.476,1057 4.007,1058 7.608,1059 1.531,1060 9.117,1061 3.837,1062 6.176,1063 7.234,1064 1.446,1065 10.519,1066 6.036,1067 8.93,1068 1.531,1069 10.792,1070 3.651,1071 6.463,1072 7.784,1074 12.083,1075 6.293,1076 10.285,1077 1.248,1078 12.505,1079 3.469,1080 7.96,1081 9.621,1082 1.113,1083 14.623,1084 7.767,1085 11.661,1086 1.051,1087 14.241,1088 2.771,1089 8.646,1090 10.549,1092 16.522,1093 8.418,1094 13.054,1095 0.71,1096 15.995,1097 2.268,1098 9.902,1099 12.156,1100 0.863,1101 18.871,1102 9.656,1103 2.988,1104 0.547,1105 17.761,1106 1.621,1107 10.784,1108 13.277,1110 20.924,1111 10.505,1112 2.866,1113 9.366,1114 19.536,1115 1.009,1116 11.934,1117 14.77,1118 0.672,1119 23.192,1120 11.637,1121 2.866,1122 8.757,1123 21.318,1124 3.89,1125 12.913,1126 15.995,1128 25.32,1129 12.586,1130 2.422,1131 8.757,1132 23.105,1133 3.89,1134 14.017,1135 17.427,1136 0.522,1137 27.554,1138 13.671,1139 2.251,1140 7.583,1141 24.896,1142 3.846,1143 15.043,1144 18.708,1146 29.72,1147 14.671,1148 2.251,1149 6.51,1150 26.69,1151 3.014,1152 16.127,1153 20.107,1154 0.403,1155 31.94,1156 15.736,1157 1.801,1158 6.51,1159 28.488,1160 2.838,1161 17.176,1162 21.42,1164 34.127,1165 16.763,1166 28392,1167 48028,1168 26.235,1169 46.932,1170 57.605,1171 59.001,1172 59.293,1173 56.982,1174 57.008,1175 71.026,1176 8.069,1177 153.378,1178 54.438,1179 5.322,1180 5.581,1181 6.074,1182 5.016,1183 4.988,1184 6.89,1185 1.72,1186 16.052,1187 4.947,1188 22.054,1189 1.44,1190 1.475,1191 1.482,1192 1.425,1193 1.425,1194 1.776,1195 0.202,1196 3.834,1197 1.361,1198 3.976,1199 4.006,1200 3.918,1201 3.876,1202 7.428,1203 3.882,1204 3.921,1205 3.944,1206 3.867,1207 3.838,1208 6.475,1209 3.841,1210 3.899,1211 3.921,1212 3.858,1213 3.787,1214 6.467,1215 3.802,1216 3.666,1217 3.739,1218 3.524,1219 3.487,1220 6.466,1221 3.484,1222 3.608,1223 3.673,1224 3.465,1225 3.439,1226 4.788,1227 3.433,1228 3.361,1229 3.436,1230 3.242,1231 3.125,1232 4.762,1233 3.142,1234 3.308,1235 3.371,1236 3.157,1237 3.082,1238 4.618,1239 3.091,1240 3.223,1241 3.297,1242 3.054,1243 2.955,1244 4.416,1245 2.965,1246 0.11,1247 0.09,1248 0.156,1249 0.099,1250 0.075,1251 4.381,1252 0.097,1253 3.581,1254 0.022,1255 6.25,1256 0.234,1257 3.974,1258 0.074,1259 2.988,1260 3.89,1261 0.86,1262 9.366,1263 2.947,1264 1.901,1265 1.88,1266 2.016,1267 2.025,1268 1.24,1269 2.023,1270 1.9,1271 1.879,1272 2.012,1273 2.015,1274 1.227,1275 2.015,1276 1.847,1277 1.823,1278 1.951,1279 1.988,1280 1.125,1281 1.976,1282 1.649,1283 1.578,1284 1.887,1285 1.857,1286 1.115,1287 1.87,1288 1.59,1289 1.525,1290 1.801,1291 1.79,1292 0.94,1293 1.797,1294 1.294,1295 1.225,1296 1.588,1297 1.581,1298 0.691,1299 1.581,1300 1.256,1301 1.193,1302 1.584,1303 1.541,1304 0.672,1305 1.555,1306 1.177,1307 1.098,1308 1.506,1309 1.481,1310 0.569,1311 1.496,1312 4.394,1314 5.666,1316 7.127,1318 8.681,1320 10.285,1322 3.025,1327 29.635,1328 5.192,1329 9.701,1330 10.225,1340 44.803,1341 115.267,1342 280.863,1343 362.215,1344 387.99,1345 393.99,1346 397.99,1347 109.17,1348 7.701,1349 144.67,1350 144.67,1351 18,1352 12.451,1353 4.087,1354 3.459,1355 81.364,1356 267,1357 220,1358 0.142,1359 279.056,1360 504.42,1361 672.658,1362 31334,1364 27.33,1365 0.719,1366 0.573,1367 27.33,1368 21.789,1369 18.405,1370 0.46,1371 0.312,1372 12.267,1373 17.542,1374 11.972,1375 9.988,1376 18.405,1377 12.495,1378 15.579,1379 0.3,1380 0.168,1381 15.579,1382 8.719,1383 12.824,1384 0.2,1385 0.092,1386 12.824,1387 5.863,1388 9.683,1389 0.131,1390 0.051,1391 9.683,1392 3.792,1393 7.648,1394 0.087,1395 0.029,1396 7.648,1397 2.546,1398 0.24,1399 116.881,1400 0.195,1401 36.399,1402 0.345,1403 184,1404 592.299,1405 204.389,1406 559.896,1407 741.11,1408 522,1409 208,1410 515.875,1411 228.946,1412 523.631,1413 753.5,1414 488,1415 6.703}
{0 CHEMBL1770549,1 1.474,2 23.955,3 4.255,4 18.106,5 176.624,6 6.618,7 0.261,8 4.58,9 4.708,10 4.01,11 4.041,12 5.645,13 4.007,14 5.123,15 5.32,16 4.283,17 4.404,18 6.106,19 4.334,20 5.397,21 5.635,22 4.386,23 4.538,24 6.414,25 4.437,26 5.457,27 5.716,28 4.263,29 4.526,30 6.377,31 4.395,32 5.457,33 5.725,34 4.155,35 4.503,36 6.364,37 4.347,38 5.404,39 5.674,40 4.071,41 4.454,42 6.265,43 4.289,44 5.371,45 5.655,46 4.024,47 4.393,48 6.2,49 4.237,50 5.272,51 5.527,52 4,53 4.358,54 6.142,55 4.211,56 0.096,57 1.255,58 21.824,59 8.703,60 19.1,61 12.021,62 0.303,63 1.937,64 38.691,65 13.595,66 38.624,67 19.72,68 0.712,69 2.323,70 51.835,71 17.156,72 92.191,73 25.596,74 0.659,75 2.365,76 55.317,77 17.631,78 87.062,79 26.688,80 0.881,81 2.296,82 55.637,83 18.074,84 112.782,85 26.994,86 0.679,87 2.191,88 52.428,89 17.252,90 92.565,91 25.928,92 0.722,93 2.09,94 51.155,95 16.011,96 85.561,97 24.258,98 0.528,99 1.936,100 45.837,101 15.486,102 75.484,103 22.714,104 41,105 58,106 0.22,107 0.527,108 0.704,109 0.783,110 0.81,111 0.828,112 3.809,113 1.011,114 -2.2,115 -2.24,116 -2.21,121 37,123 8,126 2,127 6,137 2,140 2,144 6,145 2,146 4,158 2,176 12,180 5,185 9,187 8,191 1,192 7,195 2,196 1,197 13,200 5,206 3,209 2,211 7,214 4,219 2,222 4,224 4,227 10,232 2,236 2,237 2,239 12,244 5,247 1,248 1,249 3,251 12,256 5,261 5,264 8,269 5,274 7,277 3,281 5728,282 29.949,283 29.949,284 29.949,285 29.949,286 29.949,287 27.615,288 41.174,289 18.571,290 30.619,291 22.599,292 22.599,293 22.599,294 22.599,295 22.599,296 18.906,297 54.138,298 8.757,299 23.5,300 5.05,301 2.995,302 1.805,303 1.28,304 1.098,305 0.973,306 4.494,313 2188,314 5,318 595.157,325 4.595,326 48.839,329 0.5,330 0.33,331 0.5,332 0.8,333 1,334 0.33,336 0.5,337 96,338 1054,339 4.381,340 3.581,341 6.25,342 3.974,343 2.988,344 3.89,345 0.86,346 9.366,347 2.947,348 4.241,349 3.15,350 6.069,351 3.825,352 2.866,353 3.89,354 0.86,355 8.757,356 2.746,357 4.241,358 3.15,359 6.069,360 3.825,361 2.866,362 3.846,363 0.657,364 8.757,365 2.746,366 3.773,367 2.889,368 5.741,369 3.392,370 2.422,371 3.014,372 0.657,373 7.583,374 2.34,375 3.537,376 2.607,377 5.223,378 3.217,379 2.252,380 2.839,381 0.6,382 6.51,383 2.163,384 3.537,385 2.607,386 5.223,387 3.217,388 2.252,389 2.839,390 0.4,391 6.51,392 2.163,393 3.266,394 2.437,395 4.559,396 2.873,397 1.881,398 2.385,400 4.72,401 1.862,402 2.911,403 1.988,404 4.206,405 2.867,406 1.881,407 2.022,409 3.84,410 1.854,411 2.886,412 1.983,413 4.206,414 2.71,415 1.727,416 2.022,418 3.838,419 1.689,420 2.883,421 1.98,422 3.95,423 2.543,424 1.584,425 1.909,427 3.816,428 1.515,429 2.87,430 1.923,431 3.891,432 2.466,433 1.532,434 1.873,436 3.752,437 1.433,438 2.699,439 1.844,440 3.772,441 2.463,442 1.531,443 1.668,445 3.319,446 1.419,447 2.55,448 1.635,449 3.609,450 2.444,451 1.476,452 1.542,454 3.101,455 1.416,456 2.405,457 1.523,458 3.463,459 2.134,460 1.188,461 1.314,463 2.586,464 1.118,465 2.117,466 1.196,467 3.243,468 1.995,469 1.038,470 1.085,472 2.193,473 0.991,474 20.6,475 0.468,476 0.767,477 0.017,478 47,479 1.068,480 20,481 0.455,482 27,483 0.614,484 46.52,485 1.057,486 51.4,487 0.559,488 39.174,489 0.89,490 9.352,491 0.213,492 12.054,493 0.274,494 0.113,496 0.243,501 0.956,502 1.379,503 0.958,504 1.226,505 0.862,506 1.107,507 0.984,508 1.218,509 1.016,510 1.135,511 0.641,512 1.078,513 0.758,514 1.143,515 0.911,516 1.08,517 0.714,518 1.025,519 0.912,520 1.094,521 1.013,522 1.069,523 0.861,524 1.054,525 0.898,526 0.961,527 1.035,528 0.992,529 0.951,530 1.032,531 0.867,532 1.048,533 1.045,534 1.055,535 1.058,536 1.078,537 0.969,538 0.804,539 1.009,540 0.866,541 1.01,542 0.924,543 1.026,544 1.058,545 1.089,546 1.078,547 1.172,548 1.095,549 7,550 0.165,551 4,552 2.125,553 1.991,554 0.875,555 0.527,556 0.392,557 0.304,558 0.242,559 47792,560 122594,561 1.995,562 52.2,563 8,564 26,567 6,569 8,572 1.812,573 1.886,574 4.476,575 2.82,582 135.606,583 1.474,584 3.529,585 4.719,586 5.243,587 5.426,588 5.551,589 3.914,590 4.243,591 5.427,592 4.769,593 4511.65,594 9.548,595 106745,600 600.168,601 1.293,602 5.398,603 0.152,604 0.004,605 0.069,606 0.035,607 0.038,608 0.019,609 0.013,610 0.01,611 0.008,612 0.006,613 0.354,614 0.17,615 0.5,616 0.719,617 273.178,618 -0.086,619 -0.066,620 0.013,621 -0.002,622 -0.068,623 0.019,624 -0.094,625 -0.045,626 -0.038,627 -0.042,628 0.028,629 -0.028,630 0.132,631 -0.088,632 0.066,633 -0.056,634 0.147,635 -0.012,636 -0.019,637 -0.079,638 -0.035,639 -0.084,640 -0.002,641 -0.064,642 0.013,643 0.014,644 -0.058,645 -0.014,646 -0.004,647 -0.045,648 -0.028,649 -0.07,650 -0.079,651 -0.067,652 -0.083,653 -0.083,654 -0.082,655 0.165,656 -0.03,657 0.077,658 -0.099,659 0.043,660 -0.109,661 -0.069,662 -0.115,663 -0.067,664 -0.139,665 -0.089,666 1.849,667 5.496,668 0.409,669 96.744,670 0.998,671 1.135,672 0.966,673 0.934,674 0.625,675 3.85,676 4.078,677 4.263,678 4.394,679 4.554,680 4.466,681 4.394,682 4.344,683 4.317,684 4.317,685 14.223,686 0.587,687 608.86,688 3.85,689 5.342,690 6.142,691 6.963,692 7.78,693 8.607,694 9.432,695 10.263,696 11.093,697 11.926,698 4.3,700 3,707 1,715 6,720 6,722 12,738 2,739 2,741 92,743 16,744 2,745 46,747 94,748 34,749 12,750 6,751 6,752 6,756 3,757 3,770 8,772 18,773 16,777 4,782 1,784 2,785 1,786 4,793 48,794 10,795 6,796 10,802 4,808 1,809 6,829 3,839 1,841 1,849 4,853 3,857 1,859 3,864 2,868 44,875 3,876 14,877 3,878 2,893 6.5,895 3,896 1,898 2,901 23.333,902 16.217,903 10.278,904 5.668,907 2.903,908 1.367,909 0.905,910 16.174,911 10.82,912 4.043,913 4.511,914 4.98,915 5.388,916 5.83,917 5.801,918 5.735,919 5.653,920 5.62,921 5.641,922 0.938,923 61,924 16.336,926 6.643,927 0.026,929 7.777,931 31.394,933 24.72,936 2.277,937 100.167,941 494.386,942 157.992,943 70.818,945 175.195,948 157.992,949 669.581,950 70.818,951 21.766,952 32.91,953 129.842,954 163.842,955 55.643,957 494.386,959 494.386,960 228.809,961 175.195,964 400.217,965 269.364,968 103.728,969 103.372,970 21.709,972 494.386,973 246.013,974 157.992,977 494.386,978 60.415,979 97.576,980 54.032,981 191.98,982 494.386,983 246.013,984 157.992,986 0.555,987 0.32,988 0.163,989 0.087,990 19,991 10,992 0.223,993 21,995 1,996 5.781,997 369.436,999 18,1000 238.215,1005 35.44,1006 20.081,1007 12.852,1009 246.013,1010 10.701,1015 3.36,1017 182.082,1018 898.39,1019 56,1024 12.496,1026 2.897,1027 4.41,1028 0.629,1031 91.81,1032 104.384,1034 0.226,1035 0.541,1036 0.723,1037 0.804,1038 0.832,1039 0.851,1040 5.247,1041 1.881,1042 6.071,1043 4.72,1044 4.762,1045 5.198,1046 1.906,1047 6.772,1048 4.69,1049 6.394,1050 1.727,1051 7.565,1052 3.84,1053 4.111,1054 4.868,1056 7.476,1057 4.007,1058 7.663,1059 1.584,1060 9.162,1061 3.838,1062 6.248,1063 7.259,1064 1.446,1065 10.534,1066 6.118,1067 8.97,1068 1.532,1069 10.823,1070 3.816,1071 6.463,1072 7.784,1074 12.083,1075 6.293,1076 10.313,1077 1.531,1078 12.525,1079 3.752,1080 8.001,1081 9.629,1082 1.113,1083 14.626,1084 7.816,1085 11.681,1086 1.476,1087 14.255,1088 3.319,1089 8.646,1090 10.549,1092 16.522,1093 8.418,1094 13.068,1095 1.188,1096 16.004,1097 3.101,1098 9.923,1099 12.158,1100 0.863,1101 18.871,1102 9.682,1103 2.988,1104 1.038,1105 17.767,1106 2.586,1107 10.784,1108 13.277,1110 20.924,1111 10.505,1112 2.866,1113 9.366,1114 19.54,1115 2.193,1116 11.944,1117 14.77,1118 0.672,1119 23.192,1120 11.65,1121 2.866,1122 8.757,1123 21.32,1124 3.89,1125 12.913,1126 15.995,1128 25.32,1129 12.586,1130 2.422,1131 8.757,1132 23.106,1133 3.89,1134 14.021,1135 17.427,1136 0.522,1137 27.554,1138 13.677,1139 2.252,1140 7.583,1141 24.897,1142 3.846,1143 15.043,1144 18.708,1146 29.72,1147 14.671,1148 2.252,1149 6.51,1150 26.691,1151 3.014,1152 16.129,1153 20.107,1154 0.403,1155 31.94,1156 15.739,1157 1.881,1158 6.51,1159 28.488,1160 2.839,1161 17.176,1162 21.42,1164 34.127,1165 16.763,1166 46472,1167 74634,1168 30.394,1169 57.501,1170 65.068,1171 66.773,1172 66.975,1173 64.521,1174 64.54,1175 78.546,1176 8.069,1177 168.431,1178 61.976,1179 5.343,1180 5.581,1181 6.16,1182 5.006,1183 4.988,1184 6.89,1185 1.72,1186 16.052,1187 4.947,1188 24.702,1189 1.415,1190 1.452,1191 1.456,1192 1.403,1193 1.403,1194 1.708,1195 0.175,1196 3.662,1197 1.347,1198 3.981,1199 4.014,1200 3.919,1201 3.88,1202 7.428,1203 3.885,1204 3.922,1205 3.945,1206 3.867,1207 3.838,1208 6.475,1209 3.841,1210 3.907,1211 3.932,1212 3.863,1213 3.794,1214 6.467,1215 3.808,1216 3.749,1217 3.815,1218 3.593,1219 3.614,1220 6.466,1221 3.598,1222 3.728,1223 3.784,1224 3.579,1225 3.602,1226 4.788,1227 3.587,1228 3.541,1229 3.62,1230 3.398,1231 3.344,1232 4.762,1233 3.344,1234 3.487,1235 3.562,1236 3.332,1237 3.298,1238 4.617,1239 3.293,1240 3.322,1241 3.393,1242 3.184,1243 3.1,1244 4.41,1245 3.111,1246 0.095,1247 0.078,1248 0.136,1249 0.086,1250 0.065,1251 4.381,1252 0.085,1253 3.581,1254 0.019,1255 6.25,1256 0.204,1257 3.974,1258 0.064,1259 2.988,1260 3.89,1261 0.86,1262 9.366,1263 2.947,1264 1.901,1265 1.88,1266 2.04,1267 2.023,1268 1.371,1269 2.027,1270 1.9,1271 1.88,1272 2.034,1273 2.018,1274 1.367,1275 2.021,1276 1.856,1277 1.829,1278 1.992,1279 2.002,1280 1.166,1281 1.995,1282 1.762,1283 1.699,1284 1.983,1285 1.929,1286 1.162,1287 1.953,1288 1.73,1289 1.674,1290 1.896,1291 1.889,1292 1.074,1293 1.902,1294 1.517,1295 1.441,1296 1.778,1297 1.748,1298 1.047,1299 1.761,1300 1.471,1301 1.398,1302 1.73,1303 1.694,1304 0.928,1305 1.709,1306 1.273,1307 1.205,1308 1.585,1309 1.55,1310 0.719,1311 1.562,1312 4.533,1314 5.784,1316 7.219,1318 8.75,1320 10.336,1322 3.081,1327 29.745,1328 12.579,1329 9.986,1330 10.282,1340 53.964,1341 135.606,1342 324.665,1343 434.129,1344 482.393,1345 499.148,1346 510.658,1347 140.817,1348 7.918,1349 144.67,1350 144.67,1351 18,1352 12.498,1353 4.087,1354 3.459,1355 103.302,1356 378,1357 316,1358 0.124,1359 336.611,1360 608.22,1361 813.09,1362 46216,1364 31.572,1365 0.718,1366 0.592,1367 31.572,1368 26.032,1369 21.405,1370 0.465,1371 0.337,1372 15.267,1373 20.542,1374 14.913,1375 12.488,1376 21.405,1377 15.495,1378 17.7,1379 0.305,1380 0.187,1381 17.7,1382 10.84,1383 14.324,1384 0.205,1385 0.105,1386 14.324,1387 7.363,1388 10.744,1389 0.134,1390 0.06,1391 10.744,1392 4.818,1393 8.398,1394 0.089,1395 0.034,1396 8.398,1397 3.233,1398 0.214,1399 134.881,1400 0.181,1401 41.537,1402 0.295,1403 208,1404 616.299,1405 228.389,1406 584.865,1407 775.67,1408 546,1409 232,1410 539.875,1411 252.946,1412 548.6,1413 788.06,1414 512,1415 6.991}
{0 CHEMBL1770550,1 1.512,2 19.368,3 3.028,4 9.168,5 150.055,6 7.324,7 0.476,8 4.346,9 4.461,10 3.894,11 3.877,12 5.434,13 3.861,14 4.873,15 5.039,16 4.222,17 4.25,18 5.927,19 4.213,20 5.134,21 5.353,22 4.219,23 4.317,24 6.164,25 4.243,26 5.119,27 5.358,28 4.069,29 4.249,30 6.085,31 4.147,32 5.031,33 5.263,34 3.934,35 4.171,36 6.02,37 4.053,38 5.047,39 5.293,40 3.889,41 4.133,42 5.982,43 4.017,44 4.979,45 5.223,46 3.86,47 4.08,48 5.962,49 3.966,50 4.911,51 5.154,52 3.816,53 4.052,54 5.865,55 3.933,56 0.054,57 0.996,58 14.694,59 6.442,60 10.882,61 8.281,62 0.152,63 1.607,64 26.916,65 10.441,66 24.957,67 13.959,68 0.618,69 1.894,70 38.836,71 13.309,72 65.596,73 18.323,74 0.58,75 1.854,76 38.893,77 13.195,78 62.042,79 18.402,80 0.498,81 1.664,82 35.403,83 12.734,84 76.101,85 17.507,86 0.463,87 1.694,88 36.652,89 12.135,90 66.072,91 17.017,92 0.647,93 1.585,94 34.369,95 11.216,96 71.001,97 15.815,98 0.43,99 1.509,100 31.437,101 10.853,102 55.431,103 15.385,104 5,105 56,106 0.234,107 0.582,108 0.731,109 0.812,110 0.834,111 0.843,112 3.667,113 0.927,114 -2.78,115 -2.79,116 -2.7,121 42.9,123 2,127 6,137 2,140 2,144 10,145 2,154 4,158 2,176 10,180 9,185 5,187 10,191 1,192 6,195 2,196 1,197 4,200 9,206 2,209 3,210 1,211 2,214 4,219 3,222 2,224 5,227 4,232 1,237 7,239 2,243 1,244 2,247 2,248 1,249 4,251 4,256 1,259 1,260 1,261 1,264 4,269 4,272 1,273 1,274 2,277 3,281 3428,282 26.275,283 26.275,284 26.275,285 26.275,286 26.275,287 23.221,288 31.022,289 16.118,290 26.534,291 20.831,292 20.831,293 20.831,294 20.831,295 20.831,296 16.109,297 46.938,298 7.781,299 21.227,300 4.617,301 2.368,302 1.41,303 0.886,304 0.743,305 0.686,306 4.377,312 1,313 1632,314 4.123,317 217.547,318 427.695,321 414.623,325 3.717,326 36.45,329 0.75,330 0.67,331 0.67,332 0.7,333 0.5,334 0.67,335 0.5,336 0.64,337 82,338 736,339 4.458,340 3.581,341 6.25,342 3.981,343 2.988,344 4.401,345 0.657,346 9.472,347 2.979,348 4.458,349 3.047,350 6.243,351 3.981,352 2.982,353 4.401,354 0.657,355 9.472,356 2.979,357 4.381,358 3.047,359 6.243,360 3.974,361 2.982,362 3.846,363 0.6,364 9.366,365 2.947,366 3.773,367 2.889,368 5.741,369 3.392,370 2.422,371 3.014,372 0.4,373 7.583,374 2.34,375 3.5,376 2.452,377 5.133,378 3.159,379 2.173,380 2.846,382 6.245,383 2.143,384 3.5,385 2.426,386 5.133,387 3.158,388 2.172,389 2.846,391 6.245,392 2.142,393 3.265,394 2.41,395 4.559,396 2.78,397 1.798,398 2.385,400 4.72,401 1.757,402 3.032,403 1.962,404 4.414,405 2.717,406 1.751,407 2.298,409 4.312,410 1.686,411 3.032,412 1.814,413 4.414,414 2.584,415 1.61,416 2.298,418 4.312,419 1.564,420 2.893,421 1.677,422 3.914,423 2.532,424 1.532,425 2.039,427 3.648,428 1.532,429 2.881,430 1.532,431 3.779,432 2.532,433 1.532,434 2.038,436 3.467,437 1.532,438 2.808,439 1.532,440 3.634,441 2.398,442 1.408,443 1.812,445 3.008,446 1.393,447 2.7,448 1.424,449 3.604,450 2.379,451 1.382,452 1.702,454 2.966,455 1.378,456 2.491,457 1.402,458 3.552,459 2.133,460 1.195,461 1.385,463 2.685,464 1.115,465 2.121,466 1.202,467 3.279,468 1.944,469 1,470 1.074,472 2.176,473 0.942,474 17.933,475 0.472,476 0.691,477 0.018,478 46.5,479 1.224,480 22,481 0.579,482 24.5,483 0.645,484 33.024,485 0.869,486 40.867,487 0.584,488 36.203,489 0.953,490 9.593,491 0.252,492 9.06,493 0.238,494 0.037,496 0.279,501 0.9,502 1.224,503 0.82,504 1.051,505 0.758,506 0.937,507 0.971,508 1.202,509 0.948,510 1.118,511 0.665,512 1.028,513 1.103,514 0.987,515 0.99,516 0.947,517 0.877,518 0.949,519 1.061,520 0.953,521 1.06,522 0.989,523 0.98,524 1.015,525 1.032,526 1.084,527 1.093,528 1.097,529 1.133,530 1.111,531 1.235,532 1.101,533 1.133,534 1.031,535 1.49,536 1.06,537 1.125,538 0.957,539 1.123,540 0.943,541 1.389,542 1.019,543 0.94,544 1.048,545 1.068,546 1.033,547 1.223,548 1.063,549 6,550 0.194,551 3.111,552 2.333,553 1.609,554 0.667,555 0.465,556 0.281,557 0.265,558 0.17,559 33158,560 81482,561 2.145,562 45.7,564 24,567 4,570 4,572 1.777,573 2.073,574 4.182,575 1.423,582 105.843,583 1.512,584 3.761,585 4.719,586 5.244,587 5.386,588 5.444,589 3.616,590 3.577,591 5.217,592 4.458,593 3133.74,594 9.13,595 61962.1,600 429.05,601 1.105,602 5.207,603 0.143,604 0.005,605 0.056,606 0.044,607 0.037,608 0.018,609 0.013,610 0.008,611 0.008,612 0.005,613 0.335,614 0.17,615 0.63,616 0.362,617 222.572,618 -0.073,619 -0.05,620 0.039,621 0.008,622 -0.067,623 0.039,624 -0.076,625 -0.08,626 -0.034,627 -0.11,628 0.015,629 -0.064,630 0.021,631 0.023,632 0.009,633 0.021,634 0.061,635 0.012,636 -0.015,637 0.044,638 -0.056,639 -0.032,640 -0.015,641 -0.049,642 -0.009,643 -0.127,644 -0.099,645 -0.11,646 0.024,647 -0.122,648 -0.157,649 -0.131,650 -0.118,651 -0.076,652 -0.2,653 -0.09,654 -0.009,655 0.029,656 -0.104,657 0.005,658 -0.108,659 -0.059,660 -0.014,661 -0.057,662 -0.078,663 -0.065,664 -0.084,665 -0.081,666 1.872,667 5.453,668 0.632,669 66.116,670 1.001,671 1.123,672 1.546,673 2.39,674 0.664,675 3.761,676 4.043,677 4.29,678 4.533,679 4.691,680 4.654,681 4.673,682 4.71,683 4.554,684 4.595,685 11.57,686 0.633,687 512.66,688 3.761,689 5.283,690 6.116,691 6.971,692 7.82,693 8.679,694 9.535,695 10.397,696 11.257,697 12.12,698 5.7,700 3,707 1,714 4,715 10,718 2,720 2,722 20,741 70,743 24,744 2,745 42,747 74,748 30,749 16,750 4,751 8,752 6,756 5,757 7,770 2,772 22,773 8,777 4,782 1,784 2,785 1,786 4,792 2,793 32,794 8,795 4,796 8,802 4,808 0.6,809 4,828 2,829 3,832 2,839 1,841 1,849 4,853 3,857 1,859 3,868 38,875 1,876 8,877 3,893 5.7,895 1,896 1,898 2,901 18.333,902 12.15,903 8.444,904 4.263,907 4.871,908 1.584,909 0.992,910 8.84,911 13.216,912 4.043,913 4.63,914 5.23,915 5.813,916 6.262,917 6.457,918 6.727,919 7.002,920 6.485,921 6.557,922 0.923,923 53,924 14.09,926 5.974,927 0.026,929 7.689,931 27.093,933 22.16,936 2.189,937 83.167,941 329.591,942 167.781,943 70.818,945 86.843,948 167.781,949 416.434,950 70.818,952 17.703,953 167.747,954 78.475,955 40.946,956 20.57,957 329.591,959 329.591,960 238.599,961 86.843,964 282.506,965 133.927,968 88.521,969 128.369,970 21.709,972 329.591,973 157.661,974 167.781,977 329.591,978 54.066,979 113.715,980 54.032,981 103.628,982 329.591,983 157.661,984 167.781,986 0.567,987 0.327,988 0.181,989 0.098,990 25,991 10,992 0.176,993 13,994 2,995 1.167,996 5.342,997 333.093,998 0.167,999 24,1000 197.421,1005 26.14,1006 12.851,1007 7.1,1008 3.965,1009 157.661,1010 19.955,1013 11.589,1015 1.786,1017 96.716,1018 655.033,1019 56,1024 12.453,1026 2.849,1027 4.37,1028 0.529,1031 70.087,1032 78.644,1034 0.247,1035 0.614,1036 0.77,1037 0.855,1038 0.879,1039 0.888,1040 5.257,1041 1.751,1042 6.061,1043 4.72,1044 4.727,1045 5.318,1046 1.327,1047 6.812,1048 4.696,1049 6.448,1050 1.61,1051 7.575,1052 4.312,1053 4.111,1054 5.056,1056 7.554,1057 4.091,1058 7.743,1059 1.532,1060 9.19,1061 4.312,1062 6.256,1063 7.54,1064 0.721,1065 10.661,1066 6.206,1067 9.079,1068 1.532,1069 10.867,1070 3.648,1071 6.524,1072 8.195,1074 12.278,1075 6.489,1076 10.452,1077 1.408,1078 12.585,1079 3.467,1080 8.07,1081 10.095,1082 0.353,1083 14.849,1084 8.011,1085 11.851,1086 1.382,1087 14.331,1088 3.008,1089 8.77,1090 11.188,1092 16.823,1093 8.724,1094 13.27,1095 1.195,1096 16.096,1097 2.966,1098 10.058,1099 12.844,1100 0.161,1101 19.197,1102 9.996,1103 2.988,1104 1,1105 17.876,1106 2.685,1107 10.969,1108 14.145,1110 21.323,1111 10.913,1112 2.982,1113 9.472,1114 19.666,1115 2.176,1116 12.144,1117 15.695,1118 0.07,1119 23.619,1120 12.077,1121 2.982,1122 9.472,1123 21.464,1124 4.401,1125 13.153,1126 17.09,1128 25.81,1129 13.088,1130 2.422,1131 9.366,1132 23.268,1133 4.401,1134 14.279,1135 18.596,1136 0.03,1137 28.075,1138 14.207,1139 2.173,1140 7.583,1141 25.077,1142 3.846,1143 15.333,1144 20.035,1146 30.295,1147 15.26,1148 2.172,1149 6.245,1150 26.889,1151 3.014,1152 16.438,1153 21.523,1154 0.013,1155 32.548,1156 16.36,1157 1.798,1158 6.245,1159 28.704,1160 2.846,1161 17.513,1162 22.982,1164 34.781,1165 17.433,1166 30234,1167 47578,1168 29.008,1169 46.5,1170 62.055,1171 62.585,1172 62.084,1173 61.326,1174 61.357,1175 81.288,1176 4.629,1177 167.608,1178 60.262,1179 5.401,1180 5.581,1181 6.073,1182 5.028,1183 4.988,1184 7.401,1185 1.315,1186 16.158,1187 4.979,1188 11.973,1189 1.478,1190 1.49,1191 1.478,1192 1.46,1193 1.461,1194 1.935,1195 0.11,1196 3.991,1197 1.435,1198 4.117,1199 4.127,1200 4.076,1201 4.017,1202 7.428,1203 4.028,1204 4.082,1205 4.089,1206 4.045,1207 3.986,1208 6.469,1209 3.997,1210 3.919,1211 3.947,1212 3.877,1213 3.796,1214 5.141,1215 3.812,1216 3.685,1217 3.762,1218 3.544,1219 3.507,1220 5.117,1221 3.505,1222 3.639,1223 3.707,1224 3.502,1225 3.474,1226 4.619,1227 3.471,1228 3.467,1229 3.525,1230 3.359,1231 3.323,1232 4.425,1233 3.323,1234 3.426,1235 3.474,1236 3.306,1237 3.299,1238 4.417,1239 3.293,1240 3.217,1241 3.287,1242 3.11,1243 2.998,1244 4.349,1245 3.014,1246 0.106,1247 0.085,1248 0.149,1249 0.095,1250 0.071,1251 4.458,1252 0.105,1253 3.581,1254 0.016,1255 6.25,1256 0.226,1257 3.981,1258 0.071,1259 2.988,1260 4.401,1261 0.657,1262 9.472,1263 2.979,1264 1.915,1265 1.896,1266 2.017,1267 2.007,1268 1.229,1269 2,1270 1.915,1271 1.896,1272 2.016,1273 1.992,1274 1.213,1275 1.999,1276 1.85,1277 1.825,1278 1.971,1279 1.992,1280 1.122,1281 1.995,1282 1.689,1283 1.624,1284 1.922,1285 1.91,1286 1.121,1287 1.918,1288 1.65,1289 1.596,1290 1.835,1291 1.862,1292 0.961,1293 1.857,1294 1.503,1295 1.463,1296 1.695,1297 1.712,1298 0.887,1299 1.708,1300 1.465,1301 1.424,1302 1.666,1303 1.651,1304 0.863,1305 1.657,1306 1.148,1307 1.073,1308 1.391,1309 1.412,1310 0.54,1311 1.405,1312 4.443,1314 5.733,1315 3.045,1316 7.204,1317 5.416,1318 8.765,1319 7.516,1320 10.376,1327 10.351,1328 5.493,1329 9.825,1340 44.32,1341 105.843,1342 263.301,1343 330.321,1344 367.05,1345 377.05,1346 381.05,1347 70.053,1348 8.345,1349 112.03,1350 112.03,1351 28,1352 12.669,1353 4.644,1354 3.907,1355 59.839,1356 267,1357 214,1358 0.103,1359 269.607,1360 469.64,1361 649.601,1362 74860,1364 26.158,1365 0.688,1366 0.558,1367 26.158,1368 21.204,1369 18.653,1370 0.444,1371 0.309,1372 12.803,1373 17.988,1374 12.592,1375 10.41,1376 18.653,1377 12.973,1378 16.213,1379 0.29,1380 0.164,1381 16.213,1382 9.207,1383 13.51,1384 0.188,1385 0.087,1386 13.51,1387 6.268,1388 11.182,1389 0.122,1390 0.047,1391 11.182,1392 4.334,1393 8.894,1394 0.082,1395 0.027,1396 8.894,1397 2.871,1398 0.174,1399 116.614,1400 0.186,1401 36.493,1402 0.25,1403 196,1404 560,1405 214.839,1406 537.477,1407 739.35,1408 506,1409 226,1410 547.268,1411 245.507,1412 549.302,1413 802.68,1414 520,1415 4.662}
{0 CHEMBL1770551,1 1.433,2 23.955,3 6.013,4 36.153,5 177.747,6 6.782,7 0.417,8 4.548,9 4.673,10 4.027,11 4.075,12 5.563,13 4.037,14 5.104,15 5.289,16 4.334,17 4.456,18 6.065,19 4.386,20 5.391,21 5.64,22 4.333,23 4.539,24 6.308,25 4.426,26 5.38,27 5.643,28 4.199,29 4.482,30 6.235,31 4.346,32 5.317,33 5.579,34 4.084,35 4.415,36 6.195,37 4.266,38 5.314,39 5.581,40 4.039,41 4.391,42 6.145,43 4.242,44 5.265,45 5.531,46 4.002,47 4.367,48 6.098,49 4.218,50 5.224,51 5.478,52 3.979,53 4.356,54 6.057,55 4.204,56 0.082,57 1.23,58 20.147,59 8.512,60 12.364,61 11.55,62 0.208,63 1.995,64 36.602,65 13.982,66 30.121,67 19.659,68 0.689,69 2.379,70 51.449,71 17.818,72 73.387,73 25.69,74 0.593,75 2.327,76 50.996,77 17.431,78 64.728,79 25.476,80 0.603,81 2.162,82 47.901,83 16.758,84 79.579,85 24.226,86 0.532,87 2.154,88 47.943,89 16.147,90 64.767,91 23.607,92 0.574,93 2.056,94 45.629,95 15.721,96 62.691,97 22.649,98 0.434,99 1.971,100 43.278,101 15.743,102 55.084,103 22.417,104 5,105 62,106 0.213,107 0.524,108 0.677,109 0.777,110 0.812,111 0.832,112 3.809,113 0.998,114 -3.88,115 -3.84,116 -3.64,121 40.9,123 8,127 6,137 2,140 2,144 10,145 2,154 4,158 2,176 16,180 9,185 5,187 14,191 1,192 7,195 2,196 1,197 7,200 11,206 3,209 2,211 5,214 4,219 4,222 2,224 8,227 6,232 4,237 6,239 8,244 5,247 1,248 1,249 3,251 12,256 5,261 3,264 14,269 2,274 4,277 11,281 5700,282 30.518,283 30.518,284 30.518,285 30.518,286 30.518,287 27.463,288 31.022,289 19.118,290 30.776,291 23.831,292 23.831,293 23.831,294 23.831,295 23.831,296 19.109,297 41.938,298 9.281,299 24.227,300 5.027,301 2.936,302 1.903,303 1.23,304 0.994,305 0.864,306 4.517,312 1,313 2310,314 4.796,317 273.871,318 532.523,321 517.838,325 4.595,326 37.919,329 0.75,330 0.67,331 0.67,332 0.9,333 0.5,334 0.67,335 0.5,336 0.66,337 94,338 1054,339 4.458,340 3.581,341 6.25,342 3.981,343 2.988,344 4.401,345 0.657,346 9.472,347 2.979,348 4.458,349 3.047,350 6.243,351 3.981,352 2.982,353 4.401,354 0.657,355 9.472,356 2.979,357 4.381,358 3.047,359 6.243,360 3.974,361 2.982,362 3.846,363 0.6,364 9.366,365 2.947,366 3.773,367 2.889,368 5.741,369 3.392,370 2.422,371 3.014,372 0.4,373 7.583,374 2.34,375 3.5,376 2.438,377 5.133,378 3.16,379 2.174,380 2.846,382 6.245,383 2.144,384 3.5,385 2.426,386 5.133,387 3.16,388 2.174,389 2.846,391 6.245,392 2.144,393 3.266,394 2.425,395 4.559,396 2.87,397 1.877,398 2.385,400 4.72,401 1.861,402 3.032,403 1.978,404 4.414,405 2.865,406 1.877,407 2.298,409 4.312,410 1.853,411 3.032,412 1.906,413 4.414,414 2.709,415 1.726,416 2.298,418 4.312,419 1.689,420 2.923,421 1.829,422 3.95,423 2.55,424 1.587,425 2.04,427 3.817,428 1.532,429 2.904,430 1.63,431 3.89,432 2.532,433 1.532,434 2.04,436 3.75,437 1.532,438 2.86,439 1.532,440 3.772,441 2.532,442 1.532,443 1.9,445 3.322,446 1.525,447 2.834,448 1.532,449 3.637,450 2.472,451 1.496,452 1.86,454 3.134,455 1.459,456 2.685,457 1.531,458 3.609,459 2.381,460 1.387,461 1.653,463 2.971,464 1.378,465 2.531,466 1.401,467 3.569,468 2.353,469 1.359,470 1.522,472 2.918,473 1.35,474 20.933,475 0.476,476 0.691,477 0.016,478 49.5,479 1.125,480 22,481 0.5,482 27.5,483 0.625,484 44.683,485 1.016,486 48.667,487 0.553,488 37.648,489 0.856,490 9.593,491 0.218,492 12.06,493 0.274,494 0.032,496 0.239,501 0.892,502 1.268,503 0.899,504 1.124,505 0.744,506 1.024,507 0.935,508 1.25,509 1.009,510 1.186,511 0.638,512 1.107,513 1.017,514 0.979,515 0.95,516 0.947,517 0.804,518 0.941,519 1.007,520 1.019,521 1.004,522 0.994,523 0.908,524 0.995,525 1.003,526 1.011,527 1.04,528 1.014,529 1.046,530 1.03,531 1.172,532 1.012,533 1.082,534 0.981,535 1.377,536 1.012,537 1.154,538 0.851,539 1.094,540 0.927,541 1.35,542 0.987,543 1.096,544 1.036,545 1.102,546 1.065,547 1.363,548 1.086,549 6,550 0.138,551 3.111,552 2.333,553 1.609,554 0.667,555 0.465,556 0.344,557 0.265,558 0.21,559 53476,560 120940,561 2.125,562 50,563 8,564 24,567 4,569 8,572 1.811,573 2.063,574 4.475,575 1.309,582 126.098,583 1.433,584 3.524,585 4.556,586 5.229,587 5.465,588 5.596,589 3.914,590 3.88,591 5.428,592 4.769,593 4511.05,594 9.545,595 106577,600 568.43,601 1.023,602 5.423,603 0.125,604 0.004,605 0.05,606 0.04,607 0.032,608 0.015,609 0.011,610 0.008,611 0.007,612 0.005,613 0.297,614 0.17,615 0.63,616 0.327,617 273.135,618 -0.046,619 -0.046,620 0.043,621 0.004,622 -0.027,623 0.032,624 -0.041,625 -0.114,626 -0.045,627 -0.135,628 0.051,629 -0.091,630 0.068,631 0.021,632 0.052,633 0.029,634 0.108,635 0.035,636 -0.001,637 -0.033,638 -0.008,639 -0.03,640 0.02,641 -0.021,642 0.006,643 -0.043,644 -0.046,645 -0.042,646 0.052,647 -0.051,648 -0.124,649 -0.039,650 -0.08,651 -0.026,652 -0.151,653 -0.044,654 -0.11,655 0.13,656 -0.093,657 0.033,658 -0.156,659 -0.017,660 -0.109,661 -0.069,662 -0.117,663 -0.071,664 -0.161,665 -0.093,666 1.824,667 5.519,668 0.545,669 96.05,670 0.993,671 1.127,672 2.653,673 7.037,674 0.649,675 3.892,676 4.143,677 4.369,678 4.595,679 4.745,680 4.71,681 4.727,682 4.762,683 4.595,684 4.595,685 14.22,686 0.608,687 596.84,688 3.892,689 5.398,690 6.217,691 7.057,692 7.894,693 8.743,694 9.589,695 10.443,696 11.296,697 12.153,698 4.5,700 3,707 1,714 4,715 10,718 2,720 2,722 20,741 88,743 24,744 2,745 48,747 92,748 36,749 16,750 4,751 8,752 6,756 5,757 7,770 8,772 22,773 14,777 4,782 1,784 2,785 1,786 4,792 2,793 44,794 8,795 4,796 8,802 4,808 0.6,809 4,828 2,829 3,832 2,839 1,841 1,849 4,853 3,857 1,859 3,868 44,875 1,876 14,877 3,893 4.5,895 1,896 1,898 2,901 21.333,902 15.15,903 9.944,904 5.763,907 4.732,908 1.556,909 0.974,910 12.425,911 13.242,912 4.143,913 4.687,914 5.261,915 5.831,916 6.274,917 6.466,918 6.734,919 7.006,920 6.474,921 6.483,922 0.938,923 59,924 16.361,926 6.828,927 0.026,929 7.595,931 31.992,933 26.16,936 2.095,937 92.167,941 470.844,942 182.988,943 70.818,945 86.843,948 182.988,949 557.687,950 70.818,952 32.91,953 167.747,954 78.475,955 40.946,956 20.57,957 470.844,959 470.844,960 253.806,961 86.843,964 376.675,965 181.012,968 103.728,969 128.369,970 21.709,972 470.844,973 157.661,974 182.988,977 470.844,978 69.273,979 113.715,980 54.032,981 103.628,982 470.844,983 157.661,984 182.988,986 0.558,987 0.317,988 0.173,989 0.094,990 25,991 10,992 0.207,993 19,994 2,995 1.167,996 6.015,997 386.257,998 0.167,999 24,1000 238.215,1005 31.929,1006 17.123,1007 10.025,1008 4.128,1009 157.661,1010 20.286,1013 11.663,1015 1.917,1017 96.716,1018 811.493,1019 62,1024 12.519,1026 2.949,1027 4.438,1028 0.733,1031 87.388,1032 99.135,1034 0.222,1035 0.545,1036 0.705,1037 0.81,1038 0.846,1039 0.866,1040 5.347,1041 1.877,1042 6.142,1043 4.72,1044 4.828,1045 5.375,1046 1.327,1047 6.864,1048 4.8,1049 6.512,1050 1.726,1051 7.635,1052 4.312,1053 4.111,1054 5.056,1056 7.554,1057 4.091,1058 7.792,1059 1.587,1060 9.232,1061 4.312,1062 6.323,1063 7.559,1064 0.721,1065 10.674,1066 6.276,1067 9.114,1068 1.532,1069 10.895,1070 3.817,1071 6.524,1072 8.195,1074 12.278,1075 6.489,1076 10.476,1077 1.532,1078 12.604,1079 3.75,1080 8.107,1081 10.1,1082 0.353,1083 14.851,1084 8.05,1085 11.867,1086 1.496,1087 14.343,1088 3.322,1089 8.77,1090 11.188,1092 16.823,1093 8.724,1094 13.281,1095 1.387,1096 16.104,1097 3.134,1098 10.076,1099 12.845,1100 0.161,1101 19.197,1102 10.015,1103 2.988,1104 1.359,1105 17.881,1106 2.971,1107 10.969,1108 14.145,1110 21.323,1111 10.913,1112 2.982,1113 9.472,1114 19.669,1115 2.918,1116 12.152,1117 15.695,1118 0.07,1119 23.619,1120 12.086,1121 2.982,1122 9.472,1123 21.466,1124 4.401,1125 13.153,1126 17.09,1128 25.81,1129 13.088,1130 2.422,1131 9.366,1132 23.269,1133 4.401,1134 14.282,1135 18.596,1136 0.03,1137 28.075,1138 14.211,1139 2.174,1140 7.583,1141 25.077,1142 3.846,1143 15.333,1144 20.035,1146 30.295,1147 15.26,1148 2.174,1149 6.245,1150 26.889,1151 3.014,1152 16.44,1153 21.523,1154 0.013,1155 32.548,1156 16.362,1157 1.877,1158 6.245,1159 28.704,1160 2.846,1161 17.513,1162 22.982,1164 34.781,1165 17.433,1166 49130,1167 74100,1168 33.167,1169 57.069,1170 69.788,1171 70.061,1172 69.841,1173 68.938,1174 68.932,1175 88.856,1176 4.629,1177 182.733,1178 67.839,1179 5.421,1180 5.581,1181 6.159,1182 5.017,1183 4.988,1184 7.401,1185 1.315,1186 16.158,1187 4.979,1188 13.41,1189 1.454,1190 1.46,1191 1.455,1192 1.436,1193 1.436,1194 1.851,1195 0.096,1196 3.807,1197 1.413,1198 4.119,1199 4.129,1200 4.077,1201 4.019,1202 7.428,1203 4.029,1204 4.082,1205 4.089,1206 4.045,1207 3.986,1208 6.469,1209 3.997,1210 3.926,1211 3.958,1212 3.88,1213 3.803,1214 5.141,1215 3.817,1216 3.756,1217 3.825,1218 3.6,1219 3.618,1220 5.117,1221 3.603,1222 3.742,1223 3.802,1224 3.592,1225 3.611,1226 4.618,1227 3.597,1228 3.574,1229 3.651,1230 3.442,1231 3.4,1232 4.42,1233 3.401,1234 3.537,1235 3.605,1236 3.405,1237 3.381,1238 4.42,1239 3.38,1240 3.418,1241 3.475,1242 3.295,1243 3.27,1244 4.35,1245 3.266,1246 0.093,1247 0.075,1248 0.13,1249 0.083,1250 0.062,1251 4.458,1252 0.092,1253 3.581,1254 0.014,1255 6.25,1256 0.197,1257 3.981,1258 0.062,1259 2.988,1260 4.401,1261 0.657,1262 9.472,1263 2.979,1264 1.915,1265 1.896,1266 2.032,1267 2.012,1268 1.37,1269 2.012,1270 1.915,1271 1.896,1272 2.022,1273 1.992,1274 1.366,1275 1.999,1276 1.857,1277 1.829,1278 2.015,1279 1.992,1280 1.131,1281 1.999,1282 1.774,1283 1.709,1284 2.013,1285 1.954,1286 1.128,1287 1.978,1288 1.744,1289 1.687,1290 1.907,1291 1.922,1292 1.1,1293 1.927,1294 1.597,1295 1.547,1296 1.82,1297 1.818,1298 1.081,1299 1.822,1300 1.576,1301 1.533,1302 1.78,1303 1.779,1304 0.95,1305 1.784,1306 1.437,1307 1.379,1308 1.664,1309 1.644,1310 0.88,1311 1.653,1312 4.575,1314 5.844,1315 3.045,1316 7.29,1317 5.416,1318 8.828,1319 7.516,1320 10.422,1327 10.412,1328 13.031,1329 10.091,1340 53.481,1341 126.098,1342 310.075,1343 400.946,1344 460.165,1345 480.92,1346 492.43,1347 90.874,1348 8.509,1349 112.03,1350 112.03,1351 28,1352 12.707,1353 4.644,1354 3.907,1355 75.016,1356 378,1357 310,1358 0.089,1359 327.161,1360 573.44,1361 790.033,1362 103242,1364 30.401,1365 0.691,1366 0.578,1367 30.401,1368 25.447,1369 21.653,1370 0.451,1371 0.333,1372 15.803,1373 20.988,1374 15.534,1375 12.91,1376 21.653,1377 15.973,1378 18.335,1379 0.296,1380 0.183,1381 18.335,1382 11.329,1383 15.01,1384 0.192,1385 0.1,1386 15.01,1387 7.768,1388 12.243,1389 0.125,1390 0.055,1391 12.243,1392 5.36,1393 9.644,1394 0.085,1395 0.031,1396 9.644,1397 3.559,1398 0.154,1399 134.614,1400 0.174,1401 41.631,1402 0.211,1403 220,1404 584,1405 238.839,1406 562.447,1407 773.91,1408 530,1409 250,1410 571.268,1411 269.507,1412 574.271,1413 837.24,1414 544,1415 5}
{0 CHEMBL1770552,1 1.656,2 19.368,3 2.819,4 7.946,5 157.789,6 8.041,7 0.476,8 4.316,9 4.432,10 4.006,11 3.928,12 5.396,13 3.869,14 4.839,15 5.007,16 4.387,17 4.313,18 5.882,19 4.223,20 5.078,21 5.304,22 4.351,23 4.363,24 6.099,25 4.239,26 5.044,27 5.276,28 4.169,29 4.281,30 6.02,31 4.138,32 4.965,33 5.19,34 3.998,35 4.188,36 5.972,37 4.042,38 4.996,39 5.235,40 3.954,41 4.153,42 5.947,43 4.012,44 4.937,45 5.177,46 3.937,47 4.096,48 5.927,49 3.961,50 4.866,51 5.101,52 3.878,53 4.067,54 5.829,55 3.93,56 0.049,57 1.041,58 13.966,59 6.406,60 10.371,61 7.837,62 0.166,63 1.724,64 27.844,65 10.66,66 23.413,67 13.399,68 0.506,69 2.046,70 44.488,71 14.584,72 57.863,73 18.124,74 0.496,75 1.918,76 42.093,77 14.219,78 54.267,79 17.602,80 0.432,81 1.714,82 38.228,83 13.455,84 70.149,85 16.662,86 0.406,87 1.742,88 38.485,89 12.992,90 61.424,91 16.296,92 0.572,93 1.663,94 37.304,95 11.91,96 65.923,97 15.259,98 0.382,99 1.516,100 30.914,101 11.337,102 51.852,103 14.869,104 5,105 56,106 0.258,107 0.607,108 0.742,109 0.81,110 0.833,111 0.842,112 3.667,113 1.025,114 -2.39,115 -2.42,116 -2.37,121 41.2,123 2,127 6,137 2,140 2,144 8,148 2,154 2,158 2,163 2,176 6,180 7,185 5,187 6,191 1,192 6,195 2,196 1,197 4,200 7,206 2,209 3,210 1,214 4,219 3,222 2,224 5,227 4,232 1,237 7,243 1,244 2,247 2,248 1,249 4,251 4,259 1,260 1,264 4,269 4,272 1,273 1,274 2,277 3,281 3428,282 26.275,283 26.275,284 26.275,285 26.275,286 26.275,287 23.221,288 31.022,289 16.118,290 27.014,291 20.831,292 20.831,293 20.831,294 20.831,295 20.831,296 16.109,297 46.938,298 7.781,299 22.125,300 4.431,301 2.187,302 1.316,303 0.882,304 0.735,305 0.676,306 4.377,312 1,313 1632,314 4.123,317 217.547,318 427.695,321 414.623,325 3.717,326 34.265,329 0.75,330 0.67,331 0.67,332 0.7,333 0.5,334 0.5,335 0.5,336 0.61,337 81,338 736,339 4.458,340 3.581,341 6.25,342 3.974,343 2.988,344 4.401,345 0.657,346 9.472,347 2.947,348 4.458,349 3.047,350 6.243,351 3.897,352 2.982,353 4.401,354 0.657,355 9.472,356 2.729,357 4.381,358 3.047,359 6.243,360 3.897,361 2.982,362 3.846,363 0.6,364 9.366,365 2.729,366 3.773,367 2.889,368 5.741,369 3.392,370 2.422,371 3.014,372 0.4,373 7.583,374 2.34,375 3.5,376 2.452,377 5.133,378 3.1,379 2.173,380 2.846,382 6.245,383 1.994,384 3.5,385 2.426,386 5.133,387 3.099,388 2.172,389 2.846,391 6.245,392 1.993,393 3.265,394 2.41,395 4.559,396 2.776,397 1.798,398 2.385,400 4.72,401 1.748,402 3.032,403 1.962,404 4.414,405 2.707,406 1.751,407 2.298,409 4.312,410 1.668,411 3.032,412 1.814,413 4.414,414 2.577,415 1.61,416 2.298,418 4.312,419 1.552,420 2.893,421 1.677,422 3.914,423 2.463,424 1.532,425 2.039,427 3.648,428 1.418,429 2.881,430 1.532,431 3.779,432 2.462,433 1.532,434 2.038,436 3.467,437 1.412,438 2.808,439 1.532,440 3.634,441 2.384,442 1.408,443 1.812,445 3.008,446 1.362,447 2.7,448 1.424,449 3.604,450 2.365,451 1.382,452 1.702,454 2.966,455 1.349,456 2.491,457 1.402,458 3.552,459 2.119,460 1.195,461 1.385,463 2.685,464 1.095,465 2.121,466 1.202,467 3.279,468 1.926,469 1,470 1.074,472 2.176,473 0.92,474 18.733,475 0.493,476 0.691,477 0.018,478 46.5,479 1.224,480 22,481 0.579,482 24.5,483 0.645,484 35.562,485 0.936,486 40.067,487 0.589,488 33.665,489 0.886,490 9.037,491 0.238,492 9.616,493 0.253,494 0.036,496 0.267,501 0.894,502 1.167,503 0.758,504 0.872,505 0.744,506 0.871,507 0.916,508 1.19,509 0.869,510 0.969,511 0.656,512 0.962,513 0.953,514 0.99,515 1.07,516 1.017,517 0.835,518 0.93,519 1.053,520 0.979,521 1.134,522 1.05,523 0.994,524 1.042,525 1.09,526 1.081,527 1.149,528 1.138,529 1.175,530 1.145,531 1.44,532 1.078,533 1.067,534 1.009,535 1.571,536 1.086,537 1.288,538 0.937,539 1.058,540 0.977,541 1.454,542 1.041,543 1.089,544 1.008,545 0.86,546 0.914,547 1.273,548 1.068,549 6,550 0.194,551 3.111,552 2.333,553 1.609,554 0.667,555 0.465,556 0.281,557 0.265,558 0.17,559 33158,560 87010,561 2.145,562 44.1,564 22,567 4,570 4,572 1.777,573 2.073,574 4.182,575 1.475,582 112.625,583 1.656,584 3.9,585 4.771,586 5.205,587 5.352,588 5.411,589 3.616,590 3.577,591 5.217,592 4.458,593 3133.74,594 9.13,595 61962.1,600 413.947,601 1.105,602 5.207,603 0.143,604 0.005,605 0.056,606 0.044,607 0.037,608 0.018,609 0.013,610 0.008,611 0.008,612 0.005,613 0.335,614 0.17,615 0.63,616 0.362,617 222.572,618 -0.093,619 -0.041,620 0.055,621 0.076,622 -0.065,623 0.055,624 -0.07,625 -0.085,626 0.062,627 0.007,628 0.008,629 -0.02,630 0.067,631 0.045,632 0.011,633 0.012,634 0.086,635 0.047,636 0.008,637 0.03,638 -0.102,639 -0.056,640 -0.005,641 -0.069,642 -0.001,643 -0.12,644 -0.169,645 -0.158,646 0.031,647 -0.161,648 -0.212,649 -0.13,650 -0.147,651 -0.095,652 -0.222,653 -0.126,654 -0.034,655 0.028,656 -0.121,657 -0.06,658 -0.128,659 -0.086,660 -0.008,661 -0.085,662 -0.054,663 -0.051,664 -0.09,665 -0.102,666 1.86,667 5.463,668 0.632,669 66.116,670 1,671 1.121,672 1.158,673 1.34,674 0.697,675 3.761,676 4.043,677 4.29,678 4.533,679 4.691,680 4.654,681 4.673,682 4.71,683 4.554,684 4.595,685 11.57,686 0.651,687 546.78,688 3.761,689 5.283,690 6.116,691 6.971,692 7.82,693 8.679,694 9.535,695 10.397,696 11.257,697 12.12,698 8.8,700 3,707 1,708 2,714 4,715 8,716 2,719 2,720 2,722 20,741 68,743 24,744 2,745 42,747 72,748 28,749 14,750 4,751 8,752 6,756 5,757 7,770 2,772 20,773 8,777 4,782 1,784 2,785 1,786 4,793 30,794 8,795 4,796 10,797 2,802 6,808 0.6,809 2,828 2,829 3,832 2,839 1,841 1,849 4,853 3,857 1,859 3,862 2,868 38,875 1,876 8,877 3,887 2,893 2.9,895 1,896 1,901 18.333,902 11.883,903 8.444,904 4.129,907 4.871,908 1.584,909 0.999,910 9.365,911 13.216,912 4.043,913 4.63,914 5.23,915 5.813,916 6.262,917 6.457,918 6.727,919 7.002,920 6.485,921 6.557,922 0.923,923 53,924 14.093,926 5.969,927 0.026,929 7.654,931 27.242,933 22.39,936 2.154,937 81.833,941 306.049,942 193.307,943 104.389,945 67.828,947 62.555,948 130.752,949 373.877,950 104.389,952 17.703,953 148.795,954 113.905,955 21.074,956 1.492,957 368.604,959 306.049,960 235.141,961 67.828,962 62.555,964 258.964,965 114.913,968 94.668,969 85.192,970 55.28,971 62.555,972 306.049,973 172.217,974 193.307,977 306.049,978 98.545,979 94.762,980 54.032,981 118.185,982 306.049,983 172.217,984 193.307,986 0.567,987 0.327,988 0.181,989 0.098,990 25,991 10,992 0.181,993 13,994 2,995 1.167,996 5.342,997 333.093,998 0.167,999 24,1000 195.421,1001 2,1005 26.763,1006 13.298,1007 7.397,1008 4.453,1009 172.217,1010 16.257,1011 9.237,1014 3.394,1015 2.123,1017 96.716,1018 671.573,1019 56,1024 12.463,1026 2.874,1027 4.384,1028 0.579,1031 68.021,1032 76.231,1034 0.272,1035 0.641,1036 0.784,1037 0.855,1038 0.879,1039 0.889,1040 5.257,1041 1.751,1042 6.061,1043 4.72,1044 4.727,1045 5.318,1046 1.327,1047 6.812,1048 4.609,1049 6.448,1050 1.61,1051 7.575,1052 4.312,1053 4.111,1054 5.056,1056 7.554,1057 3.923,1058 7.743,1059 1.532,1060 9.19,1061 4.312,1062 6.256,1063 7.54,1064 0.721,1065 10.661,1066 6.025,1067 9.079,1068 1.532,1069 10.867,1070 3.648,1071 6.524,1072 8.195,1074 12.278,1075 6.211,1076 10.452,1077 1.408,1078 12.585,1079 3.467,1080 8.07,1081 10.095,1082 0.353,1083 14.849,1084 7.728,1085 11.851,1086 1.382,1087 14.331,1088 3.008,1089 8.77,1090 11.188,1092 16.823,1093 8.348,1094 13.27,1095 1.195,1096 16.096,1097 2.966,1098 10.058,1099 12.844,1100 0.161,1101 19.197,1102 9.607,1103 2.988,1104 1,1105 17.876,1106 2.685,1107 10.969,1108 14.145,1110 21.323,1111 10.446,1112 2.982,1113 9.472,1114 19.666,1115 2.176,1116 12.144,1117 15.695,1118 0.07,1119 23.619,1120 11.588,1121 2.982,1122 9.472,1123 21.464,1124 4.401,1125 13.153,1126 17.09,1128 25.81,1129 12.534,1130 2.422,1131 9.366,1132 23.268,1133 4.401,1134 14.279,1135 18.596,1136 0.03,1137 28.075,1138 13.623,1139 2.173,1140 7.583,1141 25.077,1142 3.846,1143 15.333,1144 20.035,1146 30.295,1147 14.623,1148 2.172,1149 6.245,1150 26.889,1151 3.014,1152 16.438,1153 21.523,1154 0.013,1155 32.548,1156 15.69,1157 1.798,1158 6.245,1159 28.704,1160 2.846,1161 17.513,1162 22.982,1164 34.781,1165 16.717,1166 30234,1167 49178,1168 29.008,1169 47.375,1170 62.055,1171 62.585,1172 62.084,1173 61.31,1174 61.357,1175 81.288,1176 4.629,1177 167.608,1178 57.705,1179 5.401,1180 5.581,1181 6.073,1182 5.081,1183 4.988,1184 7.401,1185 1.315,1186 16.158,1187 4.947,1188 11.973,1189 1.478,1190 1.49,1191 1.478,1192 1.46,1193 1.461,1194 1.935,1195 0.11,1196 3.991,1197 1.374,1198 4.073,1199 4.092,1200 4.33,1201 4.063,1202 7.428,1203 4.016,1204 4.038,1205 4.054,1206 4.307,1207 4.035,1208 6.469,1209 3.986,1210 3.918,1211 3.946,1212 3.88,1213 3.796,1214 4.98,1215 3.812,1216 3.684,1217 3.762,1218 3.552,1219 3.509,1220 4.954,1221 3.504,1222 3.638,1223 3.707,1224 3.523,1225 3.477,1226 4.619,1227 3.469,1228 3.446,1229 3.512,1230 3.454,1231 3.349,1232 4.392,1233 3.311,1234 3.399,1235 3.453,1236 3.416,1237 3.326,1238 4.356,1239 3.279,1240 3.192,1241 3.259,1242 3.167,1243 3.006,1244 4.312,1245 3.006,1246 0.106,1247 0.085,1248 0.149,1249 0.095,1250 0.071,1251 4.458,1252 0.105,1253 3.581,1254 0.016,1255 6.25,1256 0.226,1257 3.974,1258 0.07,1259 2.988,1260 4.401,1261 0.657,1262 9.472,1263 2.947,1264 1.898,1265 1.88,1266 1.982,1267 2.006,1268 1.228,1269 1.995,1270 1.898,1271 1.88,1272 1.981,1273 1.965,1274 1.211,1275 1.979,1276 1.85,1277 1.825,1278 1.969,1279 1.964,1280 1.102,1281 1.979,1282 1.682,1283 1.613,1284 1.917,1285 1.895,1286 1.101,1287 1.911,1288 1.638,1289 1.578,1290 1.825,1291 1.837,1292 0.961,1293 1.844,1294 1.46,1295 1.417,1296 1.622,1297 1.646,1298 0.879,1299 1.662,1300 1.422,1301 1.381,1302 1.59,1303 1.577,1304 0.854,1305 1.607,1306 1.116,1307 1.049,1308 1.327,1309 1.34,1310 0.525,1311 1.354,1312 4.443,1314 5.733,1315 3.045,1316 7.204,1317 5.416,1318 8.765,1319 7.516,1320 10.376,1327 10.361,1328 5.781,1329 9.927,1340 44.254,1341 112.625,1342 265.218,1343 324.438,1344 353.947,1345 363.947,1346 367.947,1347 68.869,1348 8.345,1349 111.53,1350 168.01,1351 28,1352 12.669,1353 4.644,1354 3.907,1355 59.839,1356 267,1357 214,1358 0.103,1359 278.28,1360 476.48,1361 670.764,1362 74860,1364 26.158,1365 0.688,1366 0.594,1367 26.865,1368 22.577,1369 18.653,1370 0.444,1371 0.342,1372 12.711,1373 17.202,1374 12.34,1375 10.188,1376 19.469,1377 14.346,1378 16.213,1379 0.29,1380 0.198,1381 17.551,1382 11.087,1383 13.51,1384 0.188,1385 0.111,1386 15.055,1387 8.018,1388 11.182,1389 0.122,1390 0.064,1391 12.851,1392 5.918,1393 8.894,1394 0.082,1395 0.037,1396 10.294,1397 4.02,1398 0.174,1399 123.962,1400 0.186,1401 36.493,1402 0.25,1403 196,1404 541.54,1405 262.89,1406 571.535,1407 785.99,1408 538,1409 226,1410 543.843,1411 285.683,1412 582.83,1413 855.16,1414 552,1415 5}
{0 CHEMBL1770553,1 1.555,2 23.955,3 5.804,4 33.683,5 185.481,6 7.337,7 0.417,8 4.524,9 4.65,10 4.126,11 4.117,12 5.53,13 4.044,14 5.077,15 5.264,16 4.483,17 4.507,18 6.026,19 4.394,20 5.348,21 5.603,22 4.451,23 4.576,24 6.252,25 4.422,26 5.322,27 5.582,28 4.288,29 4.507,30 6.179,31 4.338,32 5.267,33 5.526,34 4.139,35 4.429,36 6.155,37 4.257,38 5.275,39 5.538,40 4.095,41 4.407,42 6.115,43 4.238,44 5.233,45 5.498,46 4.061,47 4.387,48 6.071,49 4.216,50 5.191,51 5.442,52 4.04,53 4.376,54 6.029,55 4.202,56 0.083,57 1.279,58 19.951,59 8.538,60 11.561,61 11.189,62 0.231,63 2.119,64 38.777,65 14.323,66 28.11,67 19.297,68 0.593,69 2.533,70 58.082,71 19.24,72 65.801,73 25.702,74 0.529,75 2.398,76 55.342,77 18.736,78 57.841,79 24.993,80 0.556,81 2.219,82 51.761,83 17.727,84 74.686,85 23.68,86 0.494,87 2.206,88 50.792,89 17.114,90 61.024,91 23.16,92 0.54,93 2.121,94 48.945,95 16.661,96 59.576,97 22.41,98 0.402,99 2.03,100 46.284,101 16.618,102 51.98,103 22.16,104 5,105 62,106 0.232,107 0.54,108 0.684,109 0.775,110 0.811,111 0.831,112 3.809,113 1.084,114 -3.52,115 -3.5,116 -3.34,121 39.5,123 8,127 6,137 2,140 2,144 8,148 2,154 2,158 2,163 2,176 12,180 7,185 5,187 10,191 1,192 7,195 2,196 1,197 7,200 9,206 3,209 2,211 3,214 4,219 4,222 2,224 8,227 6,232 4,237 6,239 6,244 5,247 1,248 1,249 3,251 10,256 5,261 3,264 12,269 2,274 4,277 9,281 5700,282 30.518,283 30.518,284 30.518,285 30.518,286 30.518,287 27.463,288 31.022,289 19.118,290 31.256,291 23.831,292 23.831,293 23.831,294 23.831,295 23.831,296 19.109,297 41.938,298 9.281,299 25.124,300 4.872,301 2.806,302 1.84,303 1.236,304 0.994,305 0.86,306 4.517,312 1,313 2310,314 4.796,317 273.871,318 532.523,321 517.838,325 4.595,326 35.756,329 0.75,330 0.67,331 0.67,332 0.9,333 0.5,334 0.5,335 0.5,336 0.64,337 93,338 1054,339 4.458,340 3.581,341 6.25,342 3.974,343 2.988,344 4.401,345 0.657,346 9.472,347 2.947,348 4.458,349 3.047,350 6.243,351 3.897,352 2.982,353 4.401,354 0.657,355 9.472,356 2.729,357 4.381,358 3.047,359 6.243,360 3.897,361 2.982,362 3.846,363 0.6,364 9.366,365 2.729,366 3.773,367 2.889,368 5.741,369 3.392,370 2.422,371 3.014,372 0.4,373 7.583,374 2.34,375 3.5,376 2.438,377 5.133,378 3.102,379 2.174,380 2.846,382 6.245,383 2,384 3.5,385 2.426,386 5.133,387 3.102,388 2.174,389 2.846,391 6.245,392 2,393 3.266,394 2.425,395 4.559,396 2.865,397 1.877,398 2.385,400 4.72,401 1.848,402 3.032,403 1.978,404 4.414,405 2.859,406 1.877,407 2.298,409 4.312,410 1.839,411 3.032,412 1.906,413 4.414,414 2.707,415 1.726,416 2.298,418 4.312,419 1.685,420 2.923,421 1.829,422 3.95,423 2.544,424 1.587,425 2.04,427 3.817,428 1.515,429 2.904,430 1.63,431 3.89,432 2.474,433 1.532,434 2.04,436 3.75,437 1.455,438 2.86,439 1.532,440 3.772,441 2.462,442 1.532,443 1.9,445 3.322,446 1.411,447 2.834,448 1.532,449 3.637,450 2.452,451 1.496,452 1.86,454 3.134,455 1.4,456 2.685,457 1.531,458 3.609,459 2.367,460 1.387,461 1.653,463 2.971,464 1.35,465 2.531,466 1.401,467 3.569,468 2.34,469 1.359,470 1.522,472 2.918,473 1.326,474 21.733,475 0.494,476 0.691,477 0.016,478 49.5,479 1.125,480 22,481 0.5,482 27.5,483 0.625,484 47.354,485 1.076,486 47.867,487 0.557,488 34.977,489 0.795,490 9.037,491 0.205,492 12.616,493 0.287,494 0.031,496 0.23,501 0.882,502 1.217,503 0.816,504 0.957,505 0.731,506 0.966,507 0.879,508 1.232,509 0.908,510 1.042,511 0.629,512 1.05,513 0.871,514 0.975,515 0.994,516 0.984,517 0.761,518 0.92,519 0.993,520 1.029,521 1.042,522 1.02,523 0.909,524 1.006,525 1.061,526 1.002,527 1.056,528 1.031,529 1.072,530 1.044,531 1.348,532 0.992,533 1.008,534 0.952,535 1.438,536 1.023,537 1.303,538 0.835,539 1.017,540 0.903,541 1.395,542 0.99,543 1.22,544 1.01,545 1.033,546 1.026,547 1.409,548 1.09,549 6,550 0.138,551 3.111,552 2.333,553 1.609,554 0.667,555 0.465,556 0.344,557 0.265,558 0.21,559 53476,560 128676,561 2.125,562 48.8,563 8,564 22,567 4,569 8,572 1.811,573 2.063,574 4.475,575 1.354,582 133.698,583 1.555,584 3.62,585 4.586,586 5.191,587 5.432,588 5.566,589 3.914,590 3.88,591 5.428,592 4.769,593 4511.05,594 9.545,595 106577,600 552.659,601 1.023,602 5.423,603 0.125,604 0.004,605 0.05,606 0.04,607 0.032,608 0.015,609 0.011,610 0.008,611 0.007,612 0.005,613 0.297,614 0.17,615 0.63,616 0.327,617 273.135,618 -0.059,619 -0.04,620 0.063,621 0.062,622 -0.025,623 0.046,624 -0.029,625 -0.116,626 0.051,627 -0.031,628 0.044,629 -0.055,630 0.115,631 0.038,632 0.061,633 0.031,634 0.129,635 0.066,636 0.021,637 -0.04,638 -0.034,639 -0.037,640 0.033,641 -0.027,642 0.018,643 -0.039,644 -0.091,645 -0.071,646 0.062,647 -0.068,648 -0.162,649 -0.042,650 -0.097,651 -0.04,652 -0.164,653 -0.063,654 -0.138,655 0.121,656 -0.1,657 0.014,658 -0.165,659 -0.028,660 -0.138,661 -0.068,662 -0.122,663 -0.082,664 -0.17,665 -0.107,666 1.816,667 5.525,668 0.545,669 96.05,670 0.992,671 1.125,672 2.293,673 5.256,674 0.674,675 3.892,676 4.143,677 4.369,678 4.595,679 4.745,680 4.71,681 4.727,682 4.762,683 4.595,684 4.595,685 14.22,686 0.621,687 630.96,688 3.892,689 5.398,690 6.217,691 7.057,692 7.894,693 8.743,694 9.589,695 10.443,696 11.296,697 12.153,698 7,700 3,707 1,708 2,714 4,715 8,716 2,719 2,720 2,722 20,741 86,743 24,744 2,745 48,747 90,748 34,749 14,750 4,751 8,752 6,756 5,757 7,770 8,772 20,773 14,777 4,782 1,784 2,785 1,786 4,793 42,794 8,795 4,796 10,797 2,802 6,808 0.6,809 2,828 2,829 3,832 2,839 1,841 1,849 4,853 3,857 1,859 3,862 2,868 44,875 1,876 14,877 3,887 2,893 2.3,895 1,896 1,901 21.333,902 14.883,903 9.944,904 5.629,907 4.732,908 1.556,909 0.98,910 13.026,911 13.242,912 4.143,913 4.687,914 5.261,915 5.831,916 6.274,917 6.466,918 6.734,919 7.006,920 6.474,921 6.483,922 0.938,923 59,924 16.363,926 6.824,927 0.026,929 7.564,931 32.141,933 26.39,936 2.064,937 90.833,941 447.302,942 208.514,943 104.389,945 67.828,947 62.555,948 145.959,949 515.13,950 104.389,952 32.91,953 148.795,954 113.905,955 21.074,956 1.492,957 509.857,959 447.302,960 250.348,961 67.828,962 62.555,964 353.133,965 161.997,968 109.876,969 85.192,970 55.28,971 62.555,972 447.302,973 172.217,974 208.514,977 447.302,978 113.752,979 94.762,980 54.032,981 118.185,982 447.302,983 172.217,984 208.514,986 0.558,987 0.317,988 0.173,989 0.094,990 25,991 10,992 0.211,993 19,994 2,995 1.167,996 6.015,997 386.257,998 0.167,999 24,1000 240.215,1001 2,1005 32.559,1006 17.603,1007 10.364,1008 4.613,1009 172.217,1010 16.487,1011 9.317,1014 3.492,1015 2.253,1017 96.716,1018 828.033,1019 62,1024 12.525,1026 2.963,1027 4.446,1028 0.763,1031 85.323,1032 96.722,1034 0.242,1035 0.563,1036 0.714,1037 0.808,1038 0.845,1039 0.866,1040 5.347,1041 1.877,1042 6.142,1043 4.72,1044 4.828,1045 5.375,1046 1.327,1047 6.864,1048 4.722,1049 6.512,1050 1.726,1051 7.635,1052 4.312,1053 4.111,1054 5.056,1056 7.554,1057 3.923,1058 7.792,1059 1.587,1060 9.232,1061 4.312,1062 6.323,1063 7.559,1064 0.721,1065 10.674,1066 6.108,1067 9.114,1068 1.532,1069 10.895,1070 3.817,1071 6.524,1072 8.195,1074 12.278,1075 6.211,1076 10.476,1077 1.532,1078 12.604,1079 3.75,1080 8.107,1081 10.1,1082 0.353,1083 14.851,1084 7.779,1085 11.867,1086 1.496,1087 14.343,1088 3.322,1089 8.77,1090 11.188,1092 16.823,1093 8.348,1094 13.281,1095 1.387,1096 16.104,1097 3.134,1098 10.076,1099 12.845,1100 0.161,1101 19.197,1102 9.635,1103 2.988,1104 1.359,1105 17.881,1106 2.971,1107 10.969,1108 14.145,1110 21.323,1111 10.446,1112 2.982,1113 9.472,1114 19.669,1115 2.918,1116 12.152,1117 15.695,1118 0.07,1119 23.619,1120 11.601,1121 2.982,1122 9.472,1123 21.466,1124 4.401,1125 13.153,1126 17.09,1128 25.81,1129 12.534,1130 2.422,1131 9.366,1132 23.269,1133 4.401,1134 14.282,1135 18.596,1136 0.03,1137 28.075,1138 13.63,1139 2.174,1140 7.583,1141 25.077,1142 3.846,1143 15.333,1144 20.035,1146 30.295,1147 14.623,1148 2.174,1149 6.245,1150 26.889,1151 3.014,1152 16.44,1153 21.523,1154 0.013,1155 32.548,1156 15.694,1157 1.877,1158 6.245,1159 28.704,1160 2.846,1161 17.513,1162 22.982,1164 34.781,1165 16.717,1166 49130,1167 76456,1168 33.167,1169 57.944,1170 69.788,1171 70.061,1172 69.841,1173 68.897,1174 68.932,1175 88.856,1176 4.629,1177 182.733,1178 65.284,1179 5.421,1180 5.581,1181 6.159,1182 5.078,1183 4.988,1184 7.401,1185 1.315,1186 16.158,1187 4.947,1188 13.41,1189 1.454,1190 1.46,1191 1.455,1192 1.435,1193 1.436,1194 1.851,1195 0.096,1196 3.807,1197 1.36,1198 4.075,1199 4.095,1200 4.33,1201 4.065,1202 7.428,1203 4.017,1204 4.038,1205 4.054,1206 4.307,1207 4.035,1208 6.469,1209 3.986,1210 3.925,1211 3.956,1212 3.883,1213 3.804,1214 4.981,1215 3.817,1216 3.756,1217 3.825,1218 3.601,1219 3.618,1220 4.954,1221 3.603,1222 3.742,1223 3.802,1224 3.592,1225 3.611,1226 4.618,1227 3.597,1228 3.571,1229 3.65,1230 3.493,1231 3.413,1232 4.372,1233 3.396,1234 3.53,1235 3.601,1236 3.486,1237 3.399,1238 4.367,1239 3.373,1240 3.396,1241 3.459,1242 3.363,1243 3.286,1244 4.341,1245 3.256,1246 0.093,1247 0.075,1248 0.13,1249 0.083,1250 0.062,1251 4.458,1252 0.092,1253 3.581,1254 0.014,1255 6.25,1256 0.197,1257 3.974,1258 0.061,1259 2.988,1260 4.401,1261 0.657,1262 9.472,1263 2.947,1264 1.898,1265 1.88,1266 2.03,1267 2.012,1268 1.37,1269 2.012,1270 1.898,1271 1.88,1272 2.019,1273 1.967,1274 1.366,1275 1.981,1276 1.857,1277 1.829,1278 1.98,1279 1.965,1280 1.114,1281 1.979,1282 1.773,1283 1.708,1284 1.98,1285 1.947,1286 1.106,1287 1.975,1288 1.743,1289 1.685,1290 1.905,1291 1.912,1292 1.097,1293 1.923,1294 1.576,1295 1.515,1296 1.805,1297 1.79,1298 1.083,1299 1.806,1300 1.55,1301 1.496,1302 1.759,1303 1.742,1304 0.95,1305 1.761,1306 1.406,1307 1.352,1308 1.601,1309 1.587,1310 0.872,1311 1.613,1312 4.575,1314 5.844,1315 3.045,1316 7.29,1317 5.416,1318 8.828,1319 7.516,1320 10.422,1327 10.418,1328 13.371,1329 10.185,1340 53.415,1341 133.698,1342 311.324,1343 394.394,1344 446.394,1345 467.149,1346 478.659,1347 89.555,1348 8.509,1349 111.53,1350 168.01,1351 28,1352 12.707,1353 4.644,1354 3.907,1355 75.016,1356 378,1357 310,1358 0.089,1359 335.834,1360 580.28,1361 811.196,1362 103242,1364 30.401,1365 0.691,1366 0.61,1367 31.108,1368 26.82,1369 21.653,1370 0.451,1371 0.361,1372 15.711,1373 20.202,1374 15.281,1375 12.688,1376 22.469,1377 17.346,1378 18.335,1379 0.296,1380 0.213,1381 19.672,1382 13.209,1383 15.01,1384 0.192,1385 0.122,1386 16.555,1387 9.518,1388 12.243,1389 0.125,1390 0.071,1391 13.912,1392 6.945,1393 9.644,1394 0.085,1395 0.041,1396 11.044,1397 4.707,1398 0.154,1399 141.962,1400 0.174,1401 41.631,1402 0.211,1403 220,1404 565.54,1405 286.89,1406 596.504,1407 820.55,1408 562,1409 250,1410 567.843,1411 309.683,1412 607.799,1413 889.72,1414 576,1415 4.658}
{0 CHEMBL1770554,1 1.553,2 25.56,3 5.856,4 34.289,5 208.061,6 7.943,7 0.571,8 4.569,9 4.68,10 4.243,11 4.217,12 5.652,13 4.159,14 5.084,15 5.241,16 4.623,17 4.613,18 6.125,19 4.527,20 5.338,21 5.55,22 4.645,23 4.706,24 6.347,25 4.583,26 5.364,27 5.596,28 4.513,29 4.653,30 6.329,31 4.505,32 5.281,33 5.513,34 4.331,35 4.565,36 6.245,37 4.425,38 5.249,39 5.469,40 4.291,41 4.538,42 6.195,43 4.408,44 5.289,45 5.528,46 4.26,47 4.498,48 6.244,49 4.352,50 5.213,51 5.469,52 4.149,53 4.388,54 6.117,55 4.24,56 0.069,57 1.253,58 17.494,59 8.159,60 13.157,61 10.147,62 0.195,63 2.119,64 33.742,65 13.753,66 26.818,67 17.4,68 0.41,69 2.622,70 49.575,71 19.218,72 61.675,73 24.357,74 0.607,75 2.722,76 57.725,77 20.335,78 70.913,79 24.952,80 0.523,81 2.378,82 50.127,83 18.8,84 78.442,85 23.837,86 0.333,87 2.23,88 41.742,89 17.279,90 61.407,91 22.7,92 0.581,93 2.409,94 49.685,95 18.087,96 77.813,97 23.53,98 0.499,99 2.212,100 45.431,101 16.577,102 66.441,103 21.826,104 5,105 76,106 0.227,107 0.555,108 0.697,109 0.786,110 0.802,111 0.809,112 3.934,113 0.99,114 -4.17,115 -4.12,116 -3.89,121 45.5,123 2,127 6,137 2,140 2,144 16,145 4,148 2,154 2,158 2,163 2,176 18,180 9,185 7,187 20,191 1,192 10,196 1,197 6,200 17,206 6,209 3,210 1,211 4,214 14,219 3,222 2,224 3,227 20,232 2,237 4,239 20,244 3,247 3,248 1,249 7,251 14,256 2,259 1,260 1,261 2,264 6,269 4,272 1,273 1,274 6,277 9,281 7556,282 34.722,283 34.722,284 34.722,285 34.722,286 34.722,287 30.346,288 31.022,289 21.008,290 35.425,291 27.74,292 27.74,293 27.74,294 27.74,295 27.74,296 21.052,297 46.938,298 10.109,299 28.97,300 4.907,301 2.666,302 1.699,303 1.091,304 0.977,305 0.932,306 4.656,312 1,313 2878,314 4.359,317 309.477,318 1018.37,321 586.148,325 4.573,326 38.199,329 0.75,330 0.5,331 0.67,332 0.7,333 0.5,334 0.5,335 0.5,336 0.59,337 105,338 1278,339 4.508,340 3.581,341 6.372,342 3.982,343 3.06,344 4.437,345 0.657,346 9.883,347 2.947,348 4.508,349 3.065,350 6.372,351 3.982,352 3.06,353 4.437,354 0.657,355 9.883,356 2.829,357 4.381,358 3.065,359 6.25,360 3.974,361 2.988,362 3.846,363 0.6,364 9.366,365 2.829,366 4.072,367 2.89,368 5.908,369 3.64,370 2.656,371 3.703,372 0.4,373 8.256,374 2.603,375 4.072,376 2.785,377 5.908,378 3.64,379 2.656,380 3.703,382 8.256,383 2.603,384 3.773,385 2.785,386 5.741,387 3.392,388 2.422,389 3.051,391 7.583,392 2.34,393 3.665,394 2.476,395 5.316,396 3.311,397 2.335,398 3.051,400 6.865,401 2.272,402 3.665,403 2.473,404 5.316,405 3.31,406 2.335,407 3.014,409 6.865,410 2.271,411 3.266,412 2.434,413 4.559,414 2.787,415 1.809,416 2.385,418 4.72,419 1.761,420 3.032,421 1.983,422 4.414,423 2.734,424 1.775,425 2.298,427 4.312,428 1.698,429 3.032,430 1.862,431 4.414,432 2.604,433 1.638,434 2.298,436 4.312,437 1.576,438 3.032,439 1.721,440 4.3,441 2.514,442 1.544,443 2.277,445 3.983,446 1.495,447 3.031,448 1.556,449 4.3,450 2.502,451 1.532,452 2.277,454 3.979,455 1.487,456 2.842,457 1.536,458 3.913,459 2.455,460 1.532,461 1.846,463 3.627,464 1.394,465 2.754,466 1.532,467 3.775,468 2.454,469 1.523,470 1.792,472 3.443,473 1.393,474 24.733,475 0.495,476 0.93,477 0.019,478 65.5,479 1.31,480 34,481 0.68,482 31.5,483 0.63,484 47.259,485 0.945,486 50.867,487 0.578,488 52.14,489 1.043,490 12.777,491 0.256,492 11.809,493 0.236,494 0.027,496 0.283,501 0.87,502 1.067,503 0.755,504 0.845,505 0.753,506 0.841,507 0.904,508 1.12,509 0.878,510 0.957,511 0.668,512 0.95,513 0.919,514 1.046,515 0.918,516 0.942,517 0.801,518 0.947,519 1.117,520 0.954,521 1.219,522 1.051,523 0.975,524 1.001,525 1.05,526 0.909,527 1.057,528 0.989,529 1.09,530 1.001,531 1.178,532 1.031,533 0.837,534 0.937,535 1.458,536 1.081,537 1.113,538 1.044,539 1.023,540 1.044,541 1.309,542 1.098,543 1.133,544 0.984,545 0.9,546 0.895,547 1.191,548 0.992,549 8,550 0.212,551 4.889,552 2.333,553 2.383,554 1.271,555 0.554,556 0.498,557 0.385,558 0.301,559 76936,560 191250,561 2.179,562 43.2,564 30,567 4,570 4,572 1.84,573 2.113,574 4.568,575 1.258,582 136.622,583 1.553,584 3.794,585 4.76,586 5.369,587 5.482,588 5.528,589 4.004,590 3.974,591 5.615,592 4.855,593 5947,594 9.914,595 151220,600 568.43,601 1.078,602 5.606,603 0.143,604 0.004,605 0.064,606 0.031,607 0.037,608 0.022,609 0.01,610 0.01,611 0.008,612 0.006,613 0.336,614 0.17,615 0.63,616 0.299,617 319.683,618 -0.069,619 0.001,620 0.057,621 0.077,622 -0.069,623 0.06,624 -0.054,625 -0.046,626 0.042,627 0.001,628 0.003,629 -0.023,630 0.057,631 -0.028,632 0.072,633 0.042,634 0.099,635 0.027,636 -0.01,637 0.093,638 -0.088,639 -0.005,640 -0.002,641 -0.017,642 0.008,643 0.057,644 -0.082,645 -0.01,646 0.047,647 -0.006,648 -0.11,649 -0.115,650 -0.061,651 -0.063,652 -0.18,653 -0.104,654 0.036,655 -0.079,656 -0.096,657 -0.108,658 -0.099,659 -0.116,660 0.002,661 -0.021,662 -0.006,663 0.011,664 -0.06,665 -0.007,666 1.862,667 5.65,668 0.72,669 106.784,670 0.995,671 1.112,672 2.944,673 8.668,674 0.709,675 4.043,676 4.344,677 4.615,678 4.86,679 5.081,680 5.13,681 5.209,682 5.313,683 5.352,684 5.389,685 15.021,686 0.663,687 698.98,688 4.043,689 5.58,690 6.425,691 7.287,692 8.147,693 9.014,694 9.881,695 10.753,696 11.623,697 12.497,698 6.8,700 3,707 1,708 2,714 4,715 16,716 2,719 2,720 6,722 32,741 88,743 36,744 4,745 56,747 94,748 40,749 26,750 8,751 16,752 6,756 7,757 9,770 2,772 32,773 8,777 4,782 1,784 2,785 1,786 4,793 38,794 8,795 4,796 10,797 2,802 6,808 0.714,809 2,828 2,829 5,832 2,839 1,841 1,849 4,853 3,857 1,859 5,862 2,868 50,875 1,876 8,877 3,887 2,893 2.3,895 1,896 1,901 23.667,902 15.55,903 11,904 5.365,907 7.347,908 1.762,909 1.022,910 11.276,911 16.989,912 4.344,913 4.952,914 5.573,915 6.166,916 6.707,917 7.024,918 7.43,919 7.858,920 8.103,921 8.406,922 0.941,923 75,924 18.524,926 7.905,927 0.026,929 7.59,931 35.997,933 29.972,936 2.09,937 104.5,941 400.217,942 281.859,943 104.389,945 67.828,947 62.555,948 219.304,949 468.046,950 104.389,952 17.703,953 224.605,954 113.905,955 33.816,956 1.492,957 462.773,959 400.217,960 323.693,961 67.828,962 62.555,964 353.133,965 114.913,968 94.668,969 173.744,970 55.28,971 62.555,972 400.217,973 172.217,974 281.859,977 400.217,978 111.287,979 170.572,980 54.032,981 118.185,982 400.217,983 172.217,984 281.859,986 0.573,987 0.333,988 0.18,989 0.1,990 35,991 14,992 0.16,993 15,994 2,995 1.111,996 6.433,997 491.081,998 0.111,999 36,1000 272.193,1001 2,1005 34.077,1006 16.545,1007 8.865,1008 4.462,1009 172.217,1010 33.42,1011 9.485,1014 3.416,1015 6.721,1017 96.716,1018 854.294,1019 76,1024 12.65,1026 2.895,1027 4.438,1028 0.57,1031 87.556,1032 97.892,1034 0.24,1035 0.587,1036 0.737,1037 0.831,1038 0.849,1039 0.856,1040 5.565,1041 2.335,1042 6.378,1043 6.865,1044 5.03,1045 5.642,1046 1.327,1047 7.146,1048 4.944,1049 6.764,1050 1.809,1051 7.904,1052 6.865,1053 4.443,1054 5.352,1056 7.928,1057 4.312,1058 8.062,1059 1.775,1060 9.53,1061 4.72,1062 6.581,1063 7.866,1064 0.721,1065 11.024,1066 6.413,1067 9.4,1068 1.638,1069 11.216,1070 4.312,1071 6.868,1072 8.47,1074 12.662,1075 6.636,1076 10.772,1077 1.544,1078 12.942,1079 4.312,1080 8.408,1081 10.396,1082 0.353,1083 15.23,1084 8.151,1085 12.169,1086 1.532,1087 14.695,1088 3.983,1089 9.113,1090 11.433,1092 17.216,1093 8.779,1094 13.585,1095 1.532,1096 16.466,1097 3.979,1098 10.399,1099 13.105,1100 0.161,1101 19.597,1102 10.038,1103 3.06,1104 1.523,1105 18.25,1106 3.627,1107 11.309,1108 14.362,1110 21.735,1111 10.871,1112 3.06,1113 9.883,1114 20.045,1115 3.443,1116 12.484,1117 15.919,1118 0.07,1119 24.046,1120 12.011,1121 2.988,1122 9.883,1123 21.846,1124 4.437,1125 13.493,1126 17.287,1128 26.254,1129 12.948,1130 2.656,1131 9.366,1132 23.654,1133 4.437,1134 14.622,1135 18.796,1136 0.03,1137 28.539,1138 14.035,1139 2.656,1140 8.256,1141 25.466,1142 3.846,1143 15.679,1144 20.219,1146 30.781,1147 15.025,1148 2.422,1149 8.256,1150 27.282,1151 3.703,1152 16.791,1153 21.708,1154 0.013,1155 33.058,1156 16.088,1157 2.335,1158 7.583,1159 29.102,1160 3.703,1161 17.872,1162 23.16,1164 35.318,1165 17.107,1166 68832,1167 108782,1168 38.948,1169 62.421,1170 83.621,1171 84.061,1172 83.545,1173 82.658,1174 82.743,1175 111.392,1176 4.629,1177 229.883,1178 79.083,1179 5.45,1180 5.581,1181 6.196,1182 5.087,1183 5.06,1184 7.437,1185 1.315,1186 16.569,1187 4.947,1188 14.542,1189 1.493,1190 1.501,1191 1.492,1192 1.476,1193 1.478,1194 1.989,1195 0.083,1196 4.105,1197 1.412,1198 4.107,1199 4.125,1200 4.343,1201 4.098,1202 7.428,1203 4.056,1204 4.06,1205 4.074,1206 4.317,1207 4.059,1208 6.469,1209 4.014,1210 3.925,1211 3.956,1212 3.887,1213 3.832,1214 5.008,1215 3.827,1216 3.875,1217 3.909,1218 3.819,1219 3.82,1220 4.973,1221 3.811,1222 3.871,1223 3.899,1224 3.815,1225 3.789,1226 4.701,1227 3.799,1228 3.662,1229 3.736,1230 3.526,1231 3.49,1232 4.691,1233 3.486,1234 3.607,1235 3.673,1236 3.493,1237 3.45,1238 4.615,1239 3.441,1240 3.376,1241 3.444,1242 3.433,1243 3.298,1244 4.368,1245 3.254,1246 0.081,1247 0.064,1248 0.114,1249 0.071,1250 0.055,1251 4.508,1252 0.079,1253 3.581,1254 0.012,1255 6.372,1256 0.176,1257 3.982,1258 0.053,1259 3.06,1260 4.437,1261 0.657,1262 9.883,1263 2.947,1264 1.93,1265 1.907,1266 2.04,1267 2.025,1268 1.244,1269 2.032,1270 1.93,1271 1.907,1272 2.038,1273 2.015,1274 1.234,1275 2.027,1276 1.898,1277 1.879,1278 1.979,1279 1.989,1280 1.155,1281 1.982,1282 1.898,1283 1.879,1284 1.979,1285 1.961,1286 1.146,1287 1.978,1288 1.848,1289 1.824,1290 1.957,1291 1.959,1292 1.098,1293 1.976,1294 1.654,1295 1.582,1296 1.894,1297 1.855,1298 1.097,1299 1.873,1300 1.597,1301 1.532,1302 1.805,1303 1.787,1304 0.944,1305 1.8,1306 1.357,1307 1.32,1308 1.544,1309 1.561,1310 0.749,1311 1.568,1312 4.727,1314 6.033,1315 3.045,1316 7.525,1317 5.416,1318 9.102,1319 7.535,1320 10.726,1327 10.513,1328 5.836,1329 10.093,1340 58.361,1341 136.622,1342 333.862,1343 418.92,1344 472.43,1345 482.43,1346 486.43,1347 86.463,1348 9.642,1349 111.53,1350 168.01,1351 40,1352 13.038,1353 5.209,1354 4.392,1355 73.953,1356 459,1357 372,1358 0.073,1359 361.037,1360 621.72,1361 872.691,1362 395142,1364 34.125,1365 0.682,1366 0.584,1367 34.832,1368 29.196,1369 24.586,1370 0.439,1371 0.33,1372 16.854,1373 23.159,1374 16.367,1375 13.544,1376 25.402,1377 18.488,1378 21.563,1379 0.284,1380 0.186,1381 22.848,1382 14.135,1383 18.504,1384 0.185,1385 0.105,1386 20.147,1387 10.536,1388 15.22,1389 0.119,1390 0.059,1391 17.016,1392 7.592,1393 12.491,1394 0.078,1395 0.033,1396 14.02,1397 5.282,1398 0.126,1399 159.558,1400 0.16,1401 45.647,1402 0.174,1403 264,1404 677.54,1405 330.89,1406 715.259,1407 995.91,1408 674,1409 308,1410 707.843,1411 370.745,1412 756.715,1413 1112.2,1414 716,1415 4.503}
{0 CHEMBL1770555,1 1.485,2 30.214,3 8.841,4 78.154,5 235.753,6 7.388,7 0.516,8 4.734,9 4.854,10 4.339,11 4.362,12 5.757,13 4.293,14 5.274,15 5.449,16 4.699,17 4.76,18 6.24,19 4.656,20 5.553,21 5.791,22 4.721,23 4.861,24 6.468,25 4.717,26 5.574,27 5.826,28 4.598,29 4.814,30 6.448,31 4.648,32 5.51,33 5.767,34 4.434,35 4.736,36 6.387,37 4.577,38 5.471,39 5.716,40 4.394,41 4.717,42 6.328,43 4.566,44 5.506,45 5.764,46 4.359,47 4.7,48 6.354,49 4.531,50 5.448,51 5.71,52 4.267,53 4.623,54 6.253,55 4.45,56 0.102,57 1.501,58 23.437,59 10.387,60 14.879,61 13.583,62 0.259,63 2.539,64 44.749,65 17.663,66 32.528,67 23.558,68 0.506,69 3.157,70 64.264,71 24.389,72 70.797,73 32.427,74 0.632,75 3.22,76 71.145,77 25.091,78 75.032,79 32.697,80 0.631,81 2.919,82 63.586,83 23.345,84 84.243,85 31.128,86 0.431,87 2.744,88 55.033,89 21.945,90 63.739,91 29.993,92 0.63,93 2.902,94 62.201,95 22.757,96 74.784,97 30.842,98 0.442,99 2.671,100 56.921,101 21.714,102 61.276,103 29.456,104 5,105 82,106 0.211,107 0.517,108 0.663,109 0.765,110 0.792,111 0.808,112 4.044,113 1.04,114 -5.17,115 -5.06,116 -4.74,121 43.4,123 8,127 6,137 2,140 2,144 16,145 4,148 2,154 2,158 2,163 2,176 24,180 9,185 7,187 24,191 1,192 11,196 1,197 9,200 19,206 7,209 2,211 7,214 14,219 4,222 2,224 6,227 24,232 2,237 2,239 30,244 3,247 3,248 1,249 5,251 28,256 3,261 3,264 16,269 5,274 9,277 9,281 11232,282 38.965,283 38.965,284 38.965,285 38.965,286 38.965,287 34.589,288 31.022,289 24.008,290 39.667,291 30.74,292 30.74,293 30.74,294 30.74,295 30.74,296 24.052,297 41.938,298 11.609,299 31.97,300 5.243,301 3.087,302 2.059,303 1.342,304 1.146,305 1.038,306 4.764,312 1,313 3772,314 5,317 366.868,318 1200.27,321 690.927,325 5.485,326 39.826,329 0.75,330 0.5,331 0.67,332 0.7,333 0.5,334 0.5,335 0.5,336 0.59,337 117,338 1692,339 4.508,340 3.581,341 6.372,342 3.982,343 3.06,344 4.437,345 0.657,346 9.883,347 2.947,348 4.508,349 3.065,350 6.372,351 3.982,352 3.06,353 4.437,354 0.657,355 9.883,356 2.829,357 4.381,358 3.065,359 6.25,360 3.974,361 2.988,362 3.846,363 0.6,364 9.366,365 2.829,366 4.072,367 2.889,368 5.908,369 3.64,370 2.656,371 3.703,372 0.4,373 8.256,374 2.603,375 4.072,376 2.785,377 5.908,378 3.64,379 2.656,380 3.703,382 8.256,383 2.603,384 3.773,385 2.785,386 5.741,387 3.392,388 2.422,389 3.051,391 7.583,392 2.34,393 3.665,394 2.473,395 5.316,396 3.311,397 2.336,398 3.051,400 6.865,401 2.272,402 3.665,403 2.473,404 5.316,405 3.311,406 2.336,407 3.014,409 6.865,410 2.272,411 3.266,412 2.437,413 4.559,414 2.877,415 1.888,416 2.385,418 4.72,419 1.866,420 3.032,421 1.989,422 4.414,423 2.872,424 1.887,425 2.298,427 4.312,428 1.859,429 3.032,430 1.937,431 4.414,432 2.714,433 1.733,434 2.298,436 4.312,437 1.692,438 3.032,439 1.859,440 4.3,441 2.574,442 1.62,443 2.277,445 3.988,446 1.542,447 3.032,448 1.668,449 4.3,450 2.532,451 1.567,452 2.277,454 3.986,455 1.508,456 2.91,457 1.592,458 3.949,459 2.496,460 1.532,461 1.914,463 3.799,464 1.48,465 2.874,466 1.532,467 3.889,468 2.461,469 1.532,470 1.882,472 3.731,473 1.43,474 27.733,475 0.495,476 0.93,477 0.017,478 68.5,479 1.223,480 34,481 0.607,482 34.5,483 0.616,484 59.644,485 1.065,486 58.667,487 0.553,488 53.504,489 0.955,490 12.777,491 0.228,492 14.809,493 0.264,494 0.024,496 0.252,501 0.867,502 1.115,503 0.806,504 0.914,505 0.741,506 0.917,507 0.88,508 1.161,509 0.913,510 1.015,511 0.644,512 1.018,513 0.86,514 1.021,515 0.883,516 0.926,517 0.742,518 0.93,519 1.081,520 0.996,521 1.134,522 1.024,523 0.917,524 0.976,525 1.056,526 0.878,527 1.004,528 0.932,529 1.029,530 0.95,531 1.143,532 0.965,533 0.831,534 0.901,535 1.362,536 1.025,537 1.124,538 0.908,539 0.997,540 0.981,541 1.294,542 1.04,543 1.136,544 1.013,545 0.907,546 0.958,547 1.307,548 1.038,549 8,550 0.179,551 4.889,552 2.333,553 2.383,554 1.271,555 0.554,556 0.561,557 0.385,558 0.261,559 111870,560 261236,561 2.159,562 47.2,563 8,564 30,567 4,569 8,572 1.865,573 2.1,574 4.799,575 1.179,582 157.373,583 1.485,584 3.641,585 4.669,586 5.386,587 5.582,588 5.69,589 4.236,590 4.209,591 5.778,592 5.1,593 7853.32,594 10.236,595 231164,600 713.16,601 1.018,602 5.772,603 0.129,604 0.004,605 0.06,606 0.029,607 0.034,608 0.02,609 0.009,610 0.01,611 0.007,612 0.005,613 0.306,615 0.63,616 0.275,617 373.672,618 -0.045,619 -0.004,620 0.062,621 0.068,622 -0.031,623 0.054,624 -0.025,625 -0.074,626 0.036,627 -0.023,628 0.039,629 -0.044,630 0.093,631 -0.012,632 0.106,633 0.061,634 0.137,635 0.057,636 -0.003,637 0.03,638 -0.031,639 0.006,640 0.031,641 0.009,642 0.014,643 0.096,644 -0.037,645 0.033,646 0.068,647 0.035,648 -0.095,649 -0.034,650 -0.033,651 -0.012,652 -0.137,653 -0.046,654 -0.023,655 0.053,656 -0.08,657 -0.046,658 -0.132,659 -0.062,660 -0.072,661 -0.082,662 -0.035,663 -0.042,664 -0.131,665 -0.054,666 1.819,667 5.664,668 0.643,669 141.714,670 0.989,671 1.117,672 3.939,673 15.519,674 0.689,675 4.143,676 4.419,677 4.673,678 4.905,679 5.118,680 5.165,681 5.242,682 5.342,683 5.371,684 5.389,685 17.745,686 0.637,687 783.16,688 4.143,689 5.666,690 6.5,691 7.351,692 8.201,693 9.06,694 9.92,695 10.785,696 11.651,697 12.52,698 5.7,700 3,707 1,708 2,714 4,715 16,716 2,719 2,720 6,722 32,741 106,743 36,744 4,745 62,747 112,748 46,749 26,750 8,751 16,752 6,756 7,757 9,770 8,772 32,773 14,777 4,782 1,784 2,785 1,786 4,793 50,794 8,795 4,796 10,797 2,802 6,808 0.714,809 2,828 2,829 5,832 2,839 1,841 1,849 4,853 3,857 1,859 5,862 2,868 56,875 1,876 14,877 3,887 2,893 1.9,895 1,896 1,901 26.667,902 18.55,903 12.5,904 6.865,907 7.26,908 1.746,909 1.002,910 14.709,911 16.993,912 4.419,913 4.994,914 5.596,915 6.179,916 6.714,917 7.029,918 7.433,919 7.86,920 8.101,921 8.397,922 0.95,923 81,924 20.793,926 8.759,927 0.026,929 7.527,931 40.896,933 33.972,936 2.027,937 113.5,941 541.471,942 297.067,943 104.389,945 67.828,947 62.555,948 234.511,949 609.299,950 104.389,952 32.91,953 224.605,954 113.905,955 33.816,956 1.492,957 604.026,959 541.471,960 338.9,961 67.828,962 62.555,964 447.302,965 161.997,968 109.876,969 173.744,970 55.28,971 62.555,972 541.471,973 172.217,974 297.067,977 541.471,978 126.494,979 170.572,980 54.032,981 118.185,982 541.471,983 172.217,984 297.067,986 0.565,987 0.324,988 0.174,989 0.096,990 35,991 14,992 0.188,993 21,994 2,995 1.111,996 7.076,997 546.837,998 0.111,999 36,1000 315.212,1001 2,1005 39.83,1006 20.68,1007 11.588,1008 4.539,1009 172.217,1010 33.879,1011 9.522,1014 3.461,1015 6.972,1017 96.716,1018 1010.75,1019 82,1024 12.664,1026 2.976,1027 4.483,1028 0.75,1031 104.857,1032 118.383,1034 0.221,1035 0.541,1036 0.694,1037 0.801,1038 0.83,1039 0.846,1040 5.631,1041 2.336,1042 6.438,1043 6.865,1044 5.106,1045 5.684,1046 1.327,1047 7.183,1048 5.027,1049 6.811,1050 1.888,1051 7.948,1052 6.865,1053 4.443,1054 5.352,1056 7.928,1057 4.312,1058 8.098,1059 1.887,1060 9.56,1061 4.72,1062 6.629,1063 7.879,1064 0.721,1065 11.033,1066 6.471,1067 9.425,1068 1.733,1069 11.236,1070 4.312,1071 6.868,1072 8.47,1074 12.662,1075 6.636,1076 10.79,1077 1.62,1078 12.955,1079 4.312,1080 8.435,1081 10.399,1082 0.353,1083 15.232,1084 8.185,1085 12.181,1086 1.567,1087 14.703,1088 3.988,1089 9.113,1090 11.433,1092 17.216,1093 8.779,1094 13.593,1095 1.532,1096 16.471,1097 3.986,1098 10.412,1099 13.106,1100 0.161,1101 19.597,1102 10.056,1103 3.06,1104 1.532,1105 18.254,1106 3.799,1107 11.309,1108 14.362,1110 21.735,1111 10.871,1112 3.06,1113 9.883,1114 20.047,1115 3.731,1116 12.49,1117 15.92,1118 0.07,1119 24.046,1120 12.02,1121 2.988,1122 9.883,1123 21.848,1124 4.437,1125 13.493,1126 17.287,1128 26.254,1129 12.948,1130 2.656,1131 9.366,1132 23.655,1133 4.437,1134 14.624,1135 18.796,1136 0.03,1137 28.539,1138 14.039,1139 2.656,1140 8.256,1141 25.467,1142 3.846,1143 15.679,1144 20.219,1146 30.781,1147 15.025,1148 2.422,1149 8.256,1150 27.283,1151 3.703,1152 16.792,1153 21.708,1154 0.013,1155 33.058,1156 16.091,1157 2.336,1158 7.583,1159 29.102,1160 3.703,1161 17.872,1162 23.16,1164 35.318,1165 17.107,1166 100880,1167 154492,1168 43.106,1169 72.989,1170 91.3,1171 91.733,1172 91.205,1173 90.162,1174 90.232,1175 118.864,1176 4.629,1177 244.819,1178 86.579,1179 5.47,1180 5.581,1181 6.282,1182 5.087,1183 5.06,1184 7.437,1185 1.315,1186 16.569,1187 4.947,1188 15.868,1189 1.473,1190 1.48,1191 1.471,1192 1.454,1193 1.455,1194 1.917,1195 0.075,1196 3.949,1197 1.396,1198 4.11,1199 4.129,1200 4.344,1201 4.1,1202 7.428,1203 4.058,1204 4.06,1205 4.074,1206 4.317,1207 4.059,1208 6.469,1209 4.014,1210 3.929,1211 3.962,1212 3.888,1213 3.833,1214 5.008,1215 3.828,1216 3.877,1217 3.911,1218 3.824,1219 3.82,1220 4.973,1221 3.811,1222 3.876,1223 3.909,1224 3.815,1225 3.797,1226 4.7,1227 3.805,1228 3.746,1229 3.812,1230 3.592,1231 3.614,1232 4.691,1233 3.598,1234 3.728,1235 3.784,1236 3.582,1237 3.605,1238 4.616,1239 3.59,1240 3.539,1241 3.619,1242 3.453,1243 3.363,1244 4.354,1245 3.354,1246 0.073,1247 0.058,1248 0.103,1249 0.064,1250 0.049,1251 4.508,1252 0.072,1253 3.581,1254 0.011,1255 6.372,1256 0.159,1257 3.982,1258 0.048,1259 3.06,1260 4.437,1261 0.657,1262 9.883,1263 2.947,1264 1.93,1265 1.907,1266 2.05,1267 2.023,1268 1.371,1269 2.034,1270 1.93,1271 1.907,1272 2.048,1273 2.018,1274 1.367,1275 2.031,1276 1.898,1277 1.879,1278 2.012,1279 2.002,1280 1.19,1281 2,1282 1.898,1283 1.879,1284 2.001,1285 1.962,1286 1.188,1287 1.979,1288 1.856,1289 1.829,1290 1.978,1291 1.961,1292 1.101,1293 1.978,1294 1.765,1295 1.701,1296 1.978,1297 1.926,1298 1.1,1299 1.956,1300 1.732,1301 1.676,1302 1.898,1303 1.887,1304 1.082,1305 1.904,1306 1.525,1307 1.452,1308 1.781,1309 1.745,1310 1.057,1311 1.763,1312 4.828,1314 6.116,1315 3.045,1316 7.587,1317 5.416,1318 9.148,1319 7.535,1320 10.759,1327 10.53,1328 13.39,1329 10.335,1340 67.522,1341 157.373,1342 385.985,1343 494.895,1344 570.895,1345 591.65,1346 603.16,1347 106.134,1348 9.733,1349 111.53,1350 168.01,1351 40,1352 13.065,1353 5.209,1354 4.392,1355 88.011,1356 606,1357 492,1358 0.064,1359 418.591,1360 725.52,1361 1013.12,1362 496100,1364 38.367,1365 0.685,1366 0.597,1367 39.074,1368 33.438,1369 27.586,1370 0.445,1371 0.347,1372 19.854,1373 26.159,1374 19.308,1375 16.044,1376 28.402,1377 21.488,1378 23.684,1379 0.289,1380 0.198,1381 24.969,1382 16.256,1383 20.004,1384 0.189,1385 0.114,1386 21.647,1387 12.036,1388 16.281,1389 0.121,1390 0.064,1391 18.077,1392 8.618,1393 13.241,1394 0.08,1395 0.036,1396 14.77,1397 5.969,1398 0.113,1399 177.558,1400 0.152,1401 50.418,1402 0.151,1403 288,1404 701.54,1405 354.89,1406 740.228,1407 1030.47,1408 698,1409 332,1410 731.843,1411 394.745,1412 781.685,1413 1146.76,1414 740,1415 6.516}
{0 CHEMBL1771549,1 1.146,2 11.733,3 2.301,4 5.295,5 123.793,6 5.922,7 0.343,8 4.291,9 4.433,10 3.702,11 3.86,12 5.047,13 3.786,14 4.96,15 5.168,16 4.114,17 4.375,18 5.618,19 4.271,20 5.363,21 5.617,22 4.123,23 4.623,24 5.949,25 4.441,26 5.475,27 5.792,28 3.919,29 4.562,30 5.993,31 4.325,32 5.258,33 5.565,34 3.932,35 4.426,36 5.858,37 4.229,38 5.09,39 5.342,40 3.909,41 4.385,42 5.775,43 4.207,44 5.103,45 5.381,46 3.817,47 4.325,48 5.725,49 4.133,50 4.977,51 5.238,52 3.718,53 4.232,54 5.625,55 4.042,56 0.095,57 0.978,58 17.548,59 7.052,60 8.637,61 10.384,62 0.232,63 1.807,64 33.64,65 12.505,66 14.569,67 18.873,68 0.272,69 2.479,70 48.13,71 19.623,72 21.556,73 28.762,74 0.267,75 2.527,76 51.366,77 21.613,78 25.482,79 31.403,80 0.203,81 2.072,82 41.567,83 17.821,84 25.162,85 25.738,86 0.171,87 1.869,88 36.262,89 15.715,90 22.754,91 22.603,92 0.185,93 1.841,94 36.301,95 15.359,96 20.429,97 22.263,98 0.156,99 1.648,100 32.213,101 13.808,102 18.629,103 19.934,105 52,106 0.182,107 0.415,108 0.571,109 0.609,110 0.609,111 0.609,112 3.441,113 1.104,114 0.89,115 0.69,116 0.41,121 41.2,123 6,124 2,127 8,144 8,145 4,176 19,187 22,189 8,200 14,203 6,214 16,216 4,227 22,229 4,239 20,241 4,251 17,253 4,264 16,266 2,277 16,280 1,281 1424,282 20.809,283 20.809,284 20.809,285 20.809,286 20.809,287 19.424,288 24.436,289 11.892,290 21.098,291 17.269,292 17.269,293 17.269,294 17.269,295 17.269,296 15.209,297 30.572,298 5.645,299 17.774,300 4.942,301 3.474,302 2.486,303 2.251,304 2.251,305 2.251,306 4.168,311 1,312 1,313 818,314 3.317,318 759.158,325 1.884,326 5.931,329 1,330 0.67,331 1,332 0.7,333 0.5,334 1,335 1,336 0.84,337 61,338 352,339 4.428,340 3.749,341 7.228,342 4.309,343 3.388,344 3.972,345 1.26,346 12.785,347 3.13,348 4.402,349 3.748,350 7.227,351 4.305,352 3.385,353 3.555,354 1.26,355 12.784,356 3.118,357 4.246,358 2.946,359 6.193,360 3.903,361 2.906,362 3.384,363 0.245,364 9.281,365 2.893,366 3.825,367 2.622,368 5.405,369 3.468,370 2.469,371 3.227,372 0.245,373 7.138,374 2.465,375 3.471,376 2.411,377 5.309,378 3.34,379 2.347,380 2.735,382 6.853,383 2.328,384 3.312,385 2.318,386 5.256,387 3.255,388 2.268,389 2.326,391 6.705,392 2.232,393 3.271,394 2.219,395 5.148,396 3.051,397 2.059,398 2.298,400 6.272,401 2.04,402 2.868,403 1.532,404 4.262,405 2.436,406 1.438,407 2.017,409 3.845,410 1.434,411 2.681,412 1.239,413 3.802,414 2.209,415 1.209,416 1.765,418 2.653,419 1.208,420 2.5,421 1.077,422 3.802,423 2,424 1,425 1.5,427 2.408,428 1,429 2,430 1.077,431 3.802,432 1.984,433 1,434 1,436 2.372,437 0.983,438 2,439 1.077,440 3.802,441 1.984,442 1,443 1,445 2.372,446 0.983,447 2,448 1.077,449 3.558,450 1.984,451 1,452 1,454 2.372,455 0.983,456 2,457 1,458 3.479,459 1.984,460 1,461 1,463 2.372,464 0.983,465 1.227,466 0.307,467 3.379,468 1.029,469 0.058,470 0.064,472 0.166,473 0.056,474 14.8,475 0.493,476 0.736,477 0.025,478 31.5,479 1.05,480 12,481 0.4,482 19.5,483 0.65,484 33.337,485 1.111,486 33.2,487 0.488,488 19.798,489 0.66,490 5.191,491 0.173,492 9.502,493 0.317,495 0.054,496 0.203,501 1.202,502 1.413,503 1.019,504 1.165,505 0.881,506 1.098,507 2.15,508 1.07,509 1.142,510 0.973,511 0.774,512 1.004,513 1.349,514 1.174,515 1.217,516 1.18,517 0.902,518 1.19,519 0.795,520 0.914,521 0.922,522 0.936,523 0.788,524 0.935,525 0.596,526 0.811,527 0.771,528 0.813,529 1.108,530 0.802,531 0.788,532 1.132,533 1.085,534 1.146,535 1.715,536 1.133,537 0.878,538 1.027,539 1.008,540 1.034,541 1.392,542 1.028,543 0.835,544 1.165,545 1.112,546 1.173,547 1.639,548 1.158,549 8,550 0.173,551 3.111,552 1.5,553 1.289,554 0.597,555 0.846,556 0.413,557 0.23,558 0.179,559 14035,560 18265,561 2.272,562 55.9,563 2,564 24,569 12,572 1.726,573 2.222,574 3.51,575 -0.924,582 77.92,583 1.146,584 2.614,585 3.601,586 3.837,587 3.837,588 3.837,589 2.873,590 3.14,591 4.884,592 3.686,593 1603.55,594 8.503,595 22251.4,600 413.947,601 1.053,602 4.865,603 0.229,604 0.008,605 0.06,606 0.031,607 0.034,608 0.014,609 0.021,610 0.011,611 0.007,612 0.006,613 0.422,614 0.67,615 0.88,617 154.365,618 0.224,619 -0.173,620 0.115,621 -0.025,622 0.207,623 0.028,624 -0.204,625 0.121,626 -0.029,627 0.061,628 0.152,629 0.031,630 -0.17,631 -0.119,632 -0.192,633 -0.163,634 -0.007,635 -0.176,636 0.018,637 0.016,638 0.03,639 0.025,640 0.138,641 0.028,642 0.127,643 0.13,644 0.187,645 0.171,646 0.134,647 0.18,648 -0.023,649 -0.106,650 -0.083,651 -0.101,652 -0.265,653 -0.096,654 -0.009,655 -0.032,656 -0.02,657 -0.027,658 -0.142,659 -0.024,660 -0.03,661 -0.152,662 -0.115,663 -0.143,664 -0.293,665 -0.135,666 0.295,667 0.492,668 0.933,669 27.964,670 0.972,671 1.125,672 -2.121,673 4.499,674 0.643,675 3.584,676 3.97,677 4.263,678 4.554,679 4.89,680 4.86,681 4.956,682 5.043,683 5.17,684 5.293,685 6.989,686 0.581,687 402.68,688 3.584,689 5.165,690 6.038,691 6.946,692 7.832,693 8.74,694 9.63,695 10.537,696 11.43,697 12.337,698 2.9,712 2,715 8,720 4,722 12,741 68,743 12,744 2,745 35,747 73,748 28,749 12,750 4,751 8,756 6,757 8,767 6,768 2,770 6,772 12,773 16,774 2,793 38,796 2,802 2,803 2,807 2,808 0.667,829 8,859 4,868 30,876 14,880 2,883 2,901 13.5,902 11.833,903 6.278,904 4.924,907 2.421,908 1.291,909 0.991,910 4.769,911 10.735,912 3.738,913 4.277,914 4.758,915 5.274,916 5.817,917 5.977,918 6.393,919 6.761,920 7.109,921 7.379,922 0.875,923 48,924 11.24,926 4.944,927 0.026,929 7.144,931 23.551,933 21.823,936 1.644,937 49.333,938 0.001,941 447.302,942 120.605,948 120.605,949 447.302,952 32.053,953 75.81,955 12.742,957 447.302,959 447.302,960 120.605,964 306.049,965 141.253,968 32.053,969 88.552,972 447.302,974 120.605,977 447.302,978 44.795,979 75.81,982 447.302,984 120.605,986 0.597,987 0.348,988 0.186,989 0.111,990 30,991 10,992 0.068,993 5,994 6,995 1.286,996 4.304,997 287.126,998 0.429,999 24,1000 98.187,1005 19.079,1006 7.498,1007 3.772,1010 18.966,1015 5.907,1018 567.907,1019 41,1031 66.108,1032 76.47,1034 0.188,1035 0.429,1036 0.592,1037 0.63,1038 0.63,1039 0.63,1040 5.043,1041 1.438,1042 6.071,1043 6.272,1044 4.654,1045 4.963,1046 1.78,1047 6.956,1048 4.594,1049 6.231,1050 1.209,1051 7.676,1052 3.845,1053 4.443,1054 4.745,1055 1.404,1056 8.332,1057 4.277,1058 7.556,1059 1,1060 9.395,1061 2.653,1062 6.399,1063 7.015,1064 1.893,1065 11.318,1066 6.235,1067 8.908,1068 1,1069 11.186,1070 2.408,1071 7.004,1072 7.549,1073 1.94,1074 13.508,1075 6.709,1076 10.293,1077 1,1078 13.027,1079 2.372,1080 8.471,1081 9.353,1082 2.225,1083 16.139,1084 8.161,1085 11.699,1086 1,1087 14.903,1088 2.372,1089 9.424,1090 10.232,1091 2.388,1092 18.582,1093 8.986,1094 13.12,1095 1,1096 16.804,1097 2.372,1098 10.717,1099 11.833,1100 2.626,1101 21.14,1102 10.237,1103 3.388,1104 0.058,1105 18.723,1106 2.372,1107 11.82,1108 12.899,1109 2.827,1110 23.656,1111 11.225,1112 3.385,1113 12.785,1114 20.656,1115 0.166,1116 13.053,1117 14.395,1118 3.054,1119 26.202,1120 12.396,1121 2.906,1122 12.784,1123 22.598,1124 3.972,1125 14.22,1126 15.572,1127 3.271,1128 28.739,1129 13.459,1130 2.469,1131 9.281,1132 24.548,1133 3.555,1134 15.435,1135 17.009,1136 3.496,1137 31.284,1138 14.6,1139 2.347,1140 7.138,1141 26.504,1142 3.384,1143 16.629,1144 18.255,1145 3.72,1146 33.828,1147 15.698,1148 2.268,1149 6.853,1150 28.464,1151 3.227,1152 17.841,1153 19.66,1154 3.946,1155 36.374,1156 16.829,1157 2.059,1158 6.705,1159 30.428,1160 2.735,1161 19.047,1162 20.949,1163 4.173,1164 38.92,1165 17.944,1166 12331,1167 14150,1168 24.614,1169 43.717,1170 53.415,1171 53.239,1172 54.965,1173 53.269,1174 53.172,1175 61.815,1176 6.019,1177 161.088,1178 51.78,1179 5.428,1180 5.749,1181 6.78,1182 5.344,1183 5.388,1184 6.972,1185 1.965,1186 19.419,1187 5.13,1189 1.526,1190 1.521,1191 1.57,1192 1.522,1193 1.519,1194 1.766,1195 0.172,1196 4.603,1197 1.479,1198 4.112,1199 4.165,1200 4.028,1201 4.015,1202 4.831,1203 4.012,1204 4.027,1205 4.09,1206 3.922,1207 3.879,1208 4.604,1209 3.881,1210 3.934,1211 3.971,1212 3.848,1213 3.837,1214 4.419,1215 3.833,1216 3.747,1217 3.782,1218 3.662,1219 3.686,1220 4.374,1221 3.676,1222 3.295,1223 3.368,1224 3.157,1225 3.143,1226 3.79,1227 3.138,1228 3.243,1229 3.321,1230 3.093,1231 3.071,1232 3.756,1233 3.067,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.715,1239 2.91,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.474,1245 2.91,1246 0.127,1247 0.107,1248 0.207,1249 0.123,1250 0.097,1251 4.428,1252 0.113,1253 3.749,1254 0.036,1255 7.228,1256 0.365,1257 4.309,1258 0.089,1259 3.388,1260 3.972,1261 1.26,1262 12.785,1263 3.13,1264 2.047,1265 2.012,1266 2.197,1267 2.195,1268 1.618,1269 2.2,1270 2.003,1271 1.946,1272 2.186,1273 2.183,1274 1.616,1275 2.188,1276 1.936,1277 1.89,1278 2.073,1279 2.029,1280 1.246,1281 2.045,1282 1.763,1283 1.731,1284 1.907,1285 1.849,1286 1.1,1287 1.871,1288 1.288,1289 1.221,1290 1.536,1291 1.488,1292 0.881,1293 1.511,1294 1.233,1295 1.159,1296 1.513,1297 1.447,1298 0.825,1299 1.47,1300 1.153,1301 1.064,1302 1.513,1303 1.376,1304 0.825,1305 1.429,1306 1.153,1307 1.064,1308 1.513,1309 1.376,1310 0.825,1311 1.429,1312 4.263,1314 5.631,1316 7.229,1318 8.916,1320 10.639,1328 19.688,1332 2.076,1335 2.696,1340 39.525,1341 77.92,1342 177.721,1343 244.889,1344 260.889,1345 260.889,1346 260.889,1347 36.403,1348 8.314,1351 36,1352 12.856,1353 3.7,1354 2.807,1355 37.88,1356 127,1357 104,1358 0.143,1359 233.947,1360 405.8,1361 562.591,1362 54167,1364 20.02,1365 0.667,1366 0.622,1367 20.02,1368 18.673,1369 14.694,1370 0.42,1371 0.368,1372 12.783,1373 14.433,1374 12.534,1375 10.306,1376 14.694,1377 12.878,1378 13.958,1379 0.268,1380 0.225,1381 13.958,1382 11.718,1383 12.254,1384 0.175,1385 0.141,1386 12.254,1387 9.843,1388 10.407,1389 0.111,1390 0.083,1391 10.407,1392 7.796,1393 9.453,1394 0.072,1395 0.052,1396 9.453,1397 6.881,1398 0.226,1399 89.577,1400 0.202,1401 28.417,1402 0.385,1403 174,1404 246.666,1405 179.551,1406 253.745,1407 371.38,1408 242,1409 209,1410 292.507,1411 217.326,1412 303.483,1413 446.92,1414 288,1415 6.208}
{0 CHEMBL1771556,1 1.374,2 19.225,3 5.767,4 33.263,5 164.209,6 6.71,7 0.533,8 4.465,9 4.591,10 3.964,11 3.999,12 5.43,13 3.961,14 5.041,15 5.235,16 4.296,17 4.413,18 5.911,19 4.352,20 5.296,21 5.51,22 4.381,23 4.619,24 6.125,25 4.51,26 5.409,27 5.656,28 4.288,29 4.644,30 6.183,31 4.494,32 5.412,33 5.675,34 4.225,35 4.591,36 6.176,37 4.438,38 5.282,39 5.539,40 4.089,41 4.472,42 6.051,43 4.316,44 5.201,45 5.489,46 3.946,47 4.325,48 5.89,49 4.16,50 5.052,51 5.329,52 3.921,53 4.206,54 5.772,55 4.07,56 0.073,57 1.148,58 18.61,59 7.6,60 13.915,61 10.602,62 0.337,63 1.924,64 35.003,65 12.23,66 28.342,67 17.567,68 0.419,69 2.407,70 44.921,71 17.119,72 37.333,73 24.627,74 0.384,75 2.567,76 50.706,77 19.984,78 41.95,79 28.598,80 0.479,81 2.463,82 51.722,83 19.86,84 48.577,85 28.343,86 0.424,87 2.229,88 45.241,89 16.875,90 42.101,91 24.474,92 0.362,93 2.024,94 42.055,95 15.266,96 34.403,97 22.592,98 0.29,99 1.756,100 36.139,101 12.981,102 29.624,103 19.145,104 9,105 62,106 0.208,107 0.482,108 0.675,109 0.743,110 0.758,111 0.777,112 3.717,113 0.978,114 -5.03,115 -4.93,116 -4.62,121 42.5,123 4,126 2,127 6,144 10,145 4,146 4,147 4,176 12,180 10,187 13,189 6,191 1,192 7,200 5,203 4,206 4,208 2,214 12,216 4,218 1,219 1,227 14,229 2,231 1,232 2,239 10,241 4,244 6,251 4,253 3,254 1,256 6,264 4,266 1,269 2,271 1,277 11,279 4,281 3500,282 27.944,283 27.944,284 27.944,285 27.944,286 27.944,287 25.098,288 45.721,289 16.494,290 28.714,291 22.139,292 22.139,293 22.139,294 22.139,295 22.139,296 17.714,297 67.844,298 7.729,299 23.203,300 4.948,301 3.137,302 1.866,303 1.419,304 1.319,305 1.194,306 4.438,312 1,313 1714,314 3.162,318 866.547,322 219.218,325 3.125,326 17.009,329 0.75,330 0.67,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.75,337 84,338 769,339 4.412,340 3.363,341 6.395,342 4.052,343 3.083,344 4.08,345 0.916,346 9.948,347 2.993,348 4.177,349 3.116,350 6.143,351 3.825,352 2.879,353 3.761,354 0.86,355 9.058,356 2.734,357 4.142,358 3.111,359 6.136,360 3.782,361 2.836,362 3.7,363 0.86,364 9.04,365 2.688,366 4.026,367 2.962,368 5.825,369 3.683,370 2.713,371 3.573,372 0.8,373 7.962,374 2.626,375 3.811,376 2.812,377 5.647,378 3.48,379 2.541,380 3.154,381 0.522,382 7.839,383 2.386,384 3.708,385 2.694,386 5.502,387 3.366,388 2.409,389 3.008,390 0.522,391 7.46,392 2.296,393 3.562,394 2.349,395 5.125,396 3.172,397 2.233,398 2.86,399 0.172,400 6.339,401 2.091,402 3.305,403 2.244,404 4.885,405 2.94,406 1.966,407 2.569,409 5.655,410 1.906,411 3.108,412 2.125,413 4.727,414 2.756,415 1.797,416 2.3,418 5.153,419 1.725,420 2.949,421 1.835,422 4.429,423 2.732,424 1.758,425 2.005,427 4.453,428 1.707,429 2.66,430 1.816,431 4.332,432 2.375,433 1.419,434 1.687,436 4.026,437 1.353,438 2.5,439 1.574,440 3.968,441 2.16,442 1.253,443 1.5,445 3.073,446 1.125,447 2.5,448 1.272,449 3.505,450 2.121,451 1.156,452 1.5,454 2.702,455 1.112,456 2.5,457 1.077,458 3.414,459 2,460 1,461 1.5,463 2.275,464 1,465 2.32,466 1.028,467 3.414,468 1.984,469 1,470 1.311,472 2.275,473 0.983,474 19.267,475 0.482,476 0.752,477 0.019,478 50.5,479 1.263,480 24,481 0.6,482 26.5,483 0.663,484 37.472,485 0.937,486 43.133,487 0.539,488 39.221,489 0.981,490 9.879,491 0.247,492 9.799,493 0.245,494 0.052,496 0.291,501 0.923,502 1.459,503 0.871,504 1.186,505 0.798,506 1.047,507 1.55,508 1.039,509 1.03,510 0.877,511 1.086,512 0.889,513 0.915,514 1.148,515 1.065,516 1.099,517 0.836,518 1.09,519 0.786,520 1.062,521 1.052,522 1.127,523 0.942,524 1.116,525 1.032,526 0.954,527 0.978,528 0.965,529 1.179,530 0.974,531 1.008,532 1.047,533 1.094,534 1.054,535 1.161,536 1.078,537 0.813,538 0.92,539 0.925,540 0.911,541 0.761,542 0.92,543 0.931,544 0.955,545 0.866,546 0.88,547 0.701,548 0.862,549 7.5,550 0.194,551 4,552 1.75,553 2.116,554 1.014,555 0.862,556 0.611,557 0.283,558 0.188,559 34939,560 68357,561 2.182,562 50,563 2,564 28,566 4,569 6,572 1.79,573 2.105,574 4.186,575 -0.844,582 109.903,583 1.374,584 3.184,585 4.456,586 4.903,587 5.003,588 5.128,589 3.646,590 4.584,591 5.292,592 4.392,593 3425.74,594 9.28,595 65981,600 505.754,601 1.141,602 5.28,603 0.167,604 0.005,605 0.065,606 0.027,607 0.037,608 0.019,609 0.019,610 0.015,611 0.007,612 0.005,613 0.365,614 0.33,615 0.75,616 0.565,617 234.11,618 0.055,619 -0.266,620 0.095,621 -0.107,622 0.124,623 -0.021,624 -0.191,625 0.103,626 -0.012,627 0.11,628 -0.032,629 0.075,630 0.025,631 -0.072,632 -0.087,633 -0.087,634 0.054,635 -0.094,636 0.014,637 -0.058,638 -0.085,639 -0.118,640 -0.041,641 -0.112,642 -0.018,643 -0.003,644 0.008,645 0.032,646 -0.079,647 0.021,648 -0.052,649 -0.05,650 -0.11,651 -0.069,652 -0.153,653 -0.092,654 0.011,655 0.053,656 0.059,657 0.049,658 0.071,659 0.058,660 0.004,661 0.029,662 0.126,663 0.084,664 0.179,665 0.114,666 0.871,667 2.028,668 0.85,669 63.05,670 0.987,671 1.124,672 3.8,673 14.441,674 0.658,675 3.829,676 4.143,677 4.431,678 4.682,679 4.963,680 5.011,681 5.182,682 5.333,683 5.451,684 5.529,685 10.94,686 0.612,687 536.78,688 3.829,689 5.371,690 6.225,691 7.094,692 7.96,693 8.832,694 9.701,695 10.575,696 11.447,697 12.322,698 5,704 2,708 2,715 14,720 8,721 2,722 24,736 2,739 2,741 80,743 24,744 2,745 45,747 85,748 34,749 22,750 6,751 6,756 6,757 7,767 4,770 4,772 22,773 12,793 40,794 4,796 6,802 4,803 2,808 0.833,809 2,822 2,829 6,833 1,859 5,864 2,868 40,876 10,878 2,881 2,893 2.5,898 2,901 19,902 14.9,903 8.861,904 5.042,907 4.575,908 1.496,909 1.008,910 8.542,911 13.8,912 4.06,913 4.635,914 5.187,915 5.719,916 6.286,917 6.441,918 6.796,919 7.191,920 7.57,921 7.942,922 0.923,923 65,924 14.805,926 6.189,927 0.026,929 7.383,931 29.573,933 24.779,936 1.883,937 75.333,941 470.844,942 204.233,943 10.047,945 22,948 204.233,949 492.844,950 10.047,951 21.766,952 22.772,953 94.762,954 50.883,955 93.181,957 423.76,959 470.844,960 214.28,961 22,964 400.217,965 92.626,968 58.962,969 151.52,970 3.798,972 470.844,973 32.047,974 204.233,977 470.844,978 51.515,979 162.765,981 22,982 470.844,983 32.047,984 204.233,986 0.575,987 0.343,988 0.186,989 0.105,990 30,991 12,992 0.094,993 8,994 1,995 1.059,996 5.292,997 387.307,998 0.059,999 34,1000 194.877,1005 27.097,1006 12.61,1007 6.471,1009 28.248,1010 31.033,1015 9.469,1016 4.514,1018 707.124,1019 57,1031 78.967,1032 89.886,1034 0.217,1035 0.504,1036 0.705,1037 0.776,1038 0.791,1039 0.811,1040 5.298,1041 1.966,1042 6.188,1043 6.339,1044 4.828,1045 5.323,1046 2.016,1047 6.969,1048 4.741,1049 6.475,1050 1.797,1051 7.724,1052 5.655,1053 4.29,1054 4.997,1055 0.57,1056 7.774,1057 4.141,1058 7.765,1059 1.758,1060 9.353,1061 5.153,1062 6.399,1063 7.452,1064 1.59,1065 10.84,1066 6.228,1067 9.085,1068 1.419,1069 11.038,1070 4.453,1071 6.686,1072 7.923,1073 0.581,1074 12.449,1075 6.45,1076 10.436,1077 1.253,1078 12.757,1079 4.026,1080 8.218,1081 9.84,1082 1.301,1083 15.001,1084 7.966,1085 11.806,1086 1.156,1087 14.501,1088 3.073,1089 8.897,1090 10.688,1091 0.515,1092 16.952,1093 8.586,1094 13.191,1095 1,1096 16.261,1097 2.702,1098 10.178,1099 12.36,1100 1.077,1101 19.316,1102 9.848,1103 3.083,1104 1,1105 18.034,1106 2.275,1107 11.056,1108 13.417,1109 0.441,1110 21.425,1111 10.675,1112 2.879,1113 9.948,1114 19.815,1115 2.275,1116 12.224,1117 14.958,1118 0.892,1119 23.718,1120 11.819,1121 2.836,1122 9.058,1123 21.605,1124 4.08,1125 13.204,1126 16.14,1127 0.373,1128 25.903,1129 12.756,1130 2.713,1131 9.04,1132 23.4,1133 3.761,1134 14.322,1135 17.608,1136 0.736,1137 28.172,1138 13.848,1139 2.541,1140 7.962,1141 25.2,1142 3.7,1143 15.355,1144 18.865,1145 0.314,1146 30.395,1147 14.843,1148 2.409,1149 7.839,1150 27.005,1151 3.573,1152 16.453,1153 20.293,1154 0.604,1155 32.658,1156 15.914,1157 2.233,1158 7.46,1159 28.813,1160 3.154,1161 17.514,1162 21.598,1163 0.264,1164 34.903,1165 16.941,1166 31786,1167 44666,1168 31.205,1169 52.637,1170 66.669,1171 67.331,1172 67.928,1173 66.541,1174 66.549,1175 84.298,1176 9.304,1177 188.161,1178 63.622,1179 5.412,1180 5.363,1181 6.197,1182 5.089,1183 5.083,1184 7.08,1185 1.776,1186 16.69,1187 4.993,1188 13.272,1189 1.482,1190 1.496,1191 1.51,1192 1.479,1193 1.479,1194 1.873,1195 0.207,1196 4.181,1197 1.414,1198 4.084,1199 4.128,1200 4.022,1201 3.979,1202 4.936,1203 3.984,1204 3.996,1205 4.038,1206 3.938,1207 3.902,1208 4.84,1209 3.905,1210 3.933,1211 3.972,1212 3.873,1213 3.813,1214 4.772,1215 3.822,1216 3.834,1217 3.878,1218 3.763,1219 3.737,1220 4.65,1221 3.74,1222 3.734,1223 3.79,1224 3.608,1225 3.6,1226 4.496,1227 3.592,1228 3.519,1229 3.569,1230 3.416,1231 3.318,1232 4.364,1233 3.333,1234 3.275,1235 3.337,1236 3.155,1237 3.143,1238 4.264,1239 3.138,1240 3.253,1241 3.317,1242 3.07,1243 3.004,1244 3.961,1245 3.004,1246 0.098,1247 0.075,1248 0.142,1249 0.09,1250 0.069,1251 4.412,1252 0.091,1253 3.363,1254 0.02,1255 6.395,1256 0.221,1257 4.052,1258 0.067,1259 3.083,1260 4.08,1261 0.916,1262 9.948,1263 2.993,1264 2.004,1265 1.971,1266 2.115,1267 2.135,1268 1.404,1269 2.132,1270 1.971,1271 1.941,1272 2.088,1273 2.105,1274 1.358,1275 2.102,1276 1.903,1277 1.859,1278 2.051,1279 2.037,1280 1.259,1281 2.041,1282 1.819,1283 1.78,1284 1.963,1285 1.962,1286 1.117,1287 1.971,1288 1.728,1289 1.672,1290 1.889,1291 1.868,1292 0.995,1293 1.88,1294 1.458,1295 1.408,1296 1.682,1297 1.698,1298 0.862,1299 1.692,1300 1.27,1301 1.214,1302 1.577,1303 1.526,1304 0.825,1305 1.541,1306 1.203,1307 1.133,1308 1.513,1309 1.45,1310 0.756,1311 1.473,1312 4.511,1314 5.826,1316 7.345,1318 8.95,1320 10.596,1322 3.392,1328 10.968,1330 11.016,1333 4.942,1340 48.998,1341 109.903,1342 254.756,1343 356.496,1344 392.244,1345 400.244,1346 410.244,1347 51.796,1348 9.225,1349 32.7,1350 32.7,1351 36,1352 12.862,1353 4.644,1354 3.7,1355 57.996,1356 268,1357 252,1358 0.103,1359 295.518,1360 511.54,1361 712.824,1362 183457,1364 27.313,1365 0.683,1366 0.597,1367 27.313,1368 23.865,1369 19.678,1370 0.437,1371 0.326,1372 14.474,1373 18.966,1374 14.102,1375 11.706,1376 19.678,1377 14.677,1378 17.219,1379 0.278,1380 0.181,1381 17.219,1382 11.198,1383 15.172,1384 0.183,1385 0.103,1386 15.172,1387 8.517,1388 12.595,1389 0.118,1390 0.057,1391 12.595,1392 6.151,1393 10.854,1394 0.076,1395 0.033,1396 10.854,1397 4.628,1398 0.172,1399 122.676,1400 0.179,1401 37.305,1402 0.255,1403 214,1404 485.427,1405 228.749,1406 472.249,1407 668.44,1408 450,1409 252,1410 505.232,1411 269.248,1412 518.048,1413 754.19,1414 486,1415 7.208}
{0 CHEMBL1773478,1 1.38,2 16.091,3 4.929,4 24.293,5 135.946,6 6.722,7 0.514,8 4.236,9 4.369,10 3.708,11 3.792,12 5.286,13 3.741,14 4.77,15 4.972,16 4.007,17 4.151,18 5.75,19 4.076,20 5.016,21 5.231,22 4.078,23 4.311,24 6.016,25 4.203,26 5.153,27 5.411,28 4.036,29 4.314,30 6.113,31 4.182,32 5.111,33 5.36,34 3.972,35 4.269,36 6.13,37 4.139,38 5.051,39 5.316,40 3.834,41 4.211,42 5.975,43 4.058,44 4.891,45 5.149,46 3.776,47 4.122,48 5.775,49 3.973,50 4.77,51 4.996,52 3.753,53 4.044,54 5.838,55 3.91,56 0.054,57 0.913,58 14.654,59 6.212,60 9.561,61 8.674,62 0.249,63 1.469,64 26.351,65 9.658,66 23.632,67 14.019,68 0.334,69 1.779,70 34.112,71 12.933,72 44.546,73 18.343,74 0.314,75 1.903,76 39.92,77 14.802,78 58.23,79 21.194,80 0.386,81 1.81,82 38.609,83 13.912,84 74.069,85 19.675,86 0.403,87 1.704,88 36.295,89 13.378,90 64.479,91 19.179,92 0.256,93 1.477,94 30.276,95 12.159,96 38.152,97 17.344,98 0.241,99 1.345,100 26.482,101 10.765,102 56.361,103 15.226,104 34,105 46,106 0.219,107 0.493,108 0.659,109 0.759,110 0.795,111 0.8,112 3.531,113 0.983,114 -5.27,115 -5.16,116 -4.82,121 42.4,122 2,126 1,127 5,144 13,145 4,146 1,159 1,160 1,176 16,180 6,183 1,185 2,187 17,191 1,192 8,195 1,197 2,200 12,206 10,211 1,214 10,219 9,224 2,227 13,232 3,235 1,237 1,239 14,243 1,244 2,249 2,251 16,255 1,256 3,261 2,264 12,268 1,269 6,274 1,277 7,281 2208,282 22.325,283 22.325,284 22.325,285 22.325,286 22.325,287 19.943,288 25.087,289 13.388,290 22.607,291 17.149,292 17.149,293 17.149,294 17.149,295 17.149,296 13.575,297 32.925,298 6.242,299 17.494,300 4.664,301 2.934,302 1.888,303 1.258,304 1.034,305 1.004,306 4.213,312 1,313 1106,314 4.528,318 403.885,325 2.882,326 24.592,329 1,330 0.83,331 0.83,332 1,333 0.5,334 0.83,335 0.5,336 0.79,337 69.5,338 531,339 4.345,340 3.624,341 6.394,342 4.005,343 2.987,344 3.942,345 1.959,346 9.679,347 3.039,348 4.013,349 3.58,350 5.593,351 3.673,352 2.701,353 3.579,354 0.995,355 7.691,356 2.628,357 3.93,358 3.036,359 5.559,360 3.622,361 2.652,362 3.454,363 0.815,364 7.59,365 2.572,366 3.823,367 2.706,368 5.386,369 3.479,370 2.492,371 3.171,372 0.359,373 7.045,374 2.465,375 3.623,376 2.677,377 5.3,378 3.345,379 2.381,380 2.839,381 0.163,382 6.801,383 2.292,384 3.349,385 2.542,386 5.11,387 3.062,388 2.093,389 2.554,391 6.063,392 2.018,393 3.159,394 2.23,395 4.637,396 2.876,397 1.898,398 2.25,400 4.986,401 1.84,402 3.083,403 1.933,404 4.584,405 2.737,406 1.742,407 2.171,409 4.772,410 1.721,411 2.784,412 1.812,413 3.703,414 2.38,415 1.389,416 1.866,418 2.997,419 1.374,420 2.5,421 1.486,422 3.563,423 2,424 1,425 1.5,427 2.29,428 1,429 2.5,430 1,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.5,439 1,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.493,448 1,449 3.247,450 1.957,451 0.905,452 1.339,454 2.136,455 0.944,456 1.618,457 0.842,458 2.939,459 1.591,460 0.618,461 0.618,463 0.791,464 0.6,465 1.327,466 0.744,467 2.851,468 1.183,469 0.219,470 0.23,472 0.413,473 0.21,474 15.867,475 0.481,476 0.694,477 0.021,478 41.5,479 1.258,480 21.5,481 0.652,482 20,483 0.606,484 27.805,485 0.843,486 35.733,487 0.541,488 33.599,489 1.018,490 8.527,491 0.258,492 7.451,493 0.226,494 0.137,496 0.271,501 0.699,502 1.354,503 0.895,504 1.139,505 0.568,506 1.049,507 0.933,508 1.025,509 0.964,510 0.928,511 0.581,512 0.928,513 1.028,514 1.095,515 1.087,516 1.102,517 0.942,518 1.097,519 1.05,520 1.027,521 0.933,522 1,523 1.037,524 0.961,525 1.444,526 0.985,527 1.061,528 0.969,529 1.542,530 0.979,531 1.13,532 0.864,533 1.026,534 0.899,535 1.214,536 0.945,537 0.654,538 0.934,539 0.888,540 0.963,541 0.759,542 0.957,543 0.598,544 1.202,545 1.009,546 1.219,547 0.634,548 1.168,549 7,550 0.198,551 2.889,552 2.313,553 1.476,554 0.826,555 0.706,556 0.358,557 0.295,558 0.285,559 17661,560 39916,561 2.011,562 50,564 26,567 1,569 6,572 1.745,573 1.886,574 3.946,575 -0.442,582 91.104,583 1.38,584 3.11,585 4.156,586 4.787,587 5.01,588 5.04,589 3.415,590 4.56,591 5.01,592 4.159,593 2195.88,594 8.738,595 36174.1,600 398.93,601 1.382,602 4.975,603 0.2,604 0.007,605 0.063,606 0.049,607 0.034,608 0.02,609 0.02,610 0.01,611 0.009,612 0.01,613 0.422,614 0.33,615 0.88,616 1.422,617 181.544,618 0.006,619 -0.159,620 0.043,621 -0.05,622 -0.036,623 -0.01,624 -0.009,625 0.119,626 0.016,627 0.07,628 0.034,629 0.054,630 0.002,631 -0.029,632 -0.104,633 -0.1,634 0.011,635 -0.11,636 -0.003,637 -0.056,638 0.058,639 -0.02,640 0.043,641 0.02,642 -0.13,643 -0.01,644 -0.048,645 0.003,646 -0.101,647 -0.012,648 -0.064,649 0.102,650 -0.032,651 0.076,652 -0.106,653 0.032,654 0.079,655 0.027,656 0.07,657 0.05,658 0.006,659 0.056,660 0.194,661 -0.2,662 -0.053,663 -0.189,664 0.213,665 -0.152,666 1.717,667 5.873,668 0.545,669 49.295,670 0.988,671 1.123,672 4.038,673 16.308,674 0.657,675 3.584,676 3.85,677 4.043,678 4.22,679 4.369,680 4.344,681 4.489,682 4.554,683 4.554,684 4.691,685 9.332,686 0.612,687 443.64,688 3.584,689 5.094,690 5.905,691 6.746,692 7.57,693 8.414,694 9.244,695 10.09,696 10.924,697 11.772,698 4.5,701 2,705 1,715 13,720 5,722 18,727 1,741 66,743 20,744 3,745 35,747 68,748 28,749 18,750 5,751 13,752 1,756 3,757 3,763 2,772 20,773 8,777 2,782 2,786 2,793 33,794 5,795 1,796 5,802 3,808 1,809 2,829 3,843 1,855 2,859 3,864 3,868 33,876 5,877 1,881 2,893 3,896 2,901 17.5,902 12.567,903 7.556,904 4.131,907 3.125,908 1.417,909 0.959,910 9.086,911 10.623,912 3.85,913 4.363,914 4.846,915 5.335,916 5.823,917 5.888,918 6.229,919 6.499,920 6.688,921 7.088,922 0.909,923 47,924 12.236,926 4.99,927 0.026,929 7.672,931 23.621,933 18.681,936 2.172,937 71.667,941 376.675,942 185.104,943 24.259,945 50.29,948 185.104,949 426.965,950 24.259,951 26.047,952 28.539,953 123.191,954 60.128,955 21.748,957 376.675,959 376.675,960 209.363,961 50.29,964 306.049,965 120.916,968 52.438,969 156.925,972 376.675,973 74.549,974 185.104,977 376.675,978 35.866,979 155.487,980 18.011,981 50.29,982 376.675,983 74.549,984 185.104,986 0.566,987 0.325,988 0.167,989 0.085,990 18,991 9,992 0.162,993 11,995 1,996 4.551,997 273.613,999 18,1000 147.71,1005 24.537,1006 12.221,1007 7.471,1009 74.549,1010 25.242,1015 4.393,1017 18.011,1018 636.328,1019 46,1024 25.042,1028 -0.078,1031 65.214,1032 74.142,1034 0.228,1035 0.515,1036 0.688,1037 0.792,1038 0.829,1039 0.834,1040 5.053,1041 1.742,1042 5.861,1043 4.986,1044 4.533,1045 5.05,1046 2.361,1047 6.586,1048 4.501,1049 6.222,1050 1.389,1051 7.37,1052 4.772,1053 4.007,1054 4.649,1055 1.738,1056 7.306,1057 3.967,1058 7.491,1059 1,1060 8.971,1061 2.997,1062 6.052,1063 7.113,1064 3.124,1065 10.335,1066 5.994,1067 8.789,1068 1,1069 10.626,1070 2.29,1071 6.312,1072 7.479,1073 3.163,1074 11.846,1075 6.26,1076 10.115,1077 1,1078 12.315,1079 2.275,1080 7.809,1081 9.434,1082 4.24,1083 14.385,1084 7.743,1085 11.46,1086 0.905,1087 14.028,1088 2.275,1089 8.444,1090 10.179,1091 4.581,1092 16.26,1093 8.397,1094 12.822,1095 0.618,1096 15.76,1097 2.136,1098 9.701,1099 11.889,1100 5.486,1101 18.619,1102 9.647,1103 2.987,1104 0.219,1105 17.506,1106 0.791,1107 10.533,1108 12.855,1109 5.978,1110 20.682,1111 10.504,1112 2.701,1113 9.679,1114 19.265,1115 0.413,1116 11.677,1117 14.424,1118 6.782,1119 22.973,1120 11.651,1121 2.652,1122 7.691,1123 21.034,1124 3.942,1125 12.616,1126 15.528,1127 7.354,1128 25.133,1129 12.617,1130 2.492,1131 7.59,1132 22.813,1133 3.579,1134 13.71,1135 17.012,1136 8.101,1137 27.402,1138 13.722,1139 2.381,1140 7.045,1141 24.6,1142 3.454,1143 14.707,1144 18.205,1145 8.717,1146 29.613,1147 14.747,1148 2.093,1149 6.801,1150 26.395,1151 3.171,1152 15.78,1153 19.637,1154 9.432,1155 31.876,1156 15.838,1157 1.898,1158 6.063,1159 28.196,1160 2.839,1161 16.809,1162 20.889,1163 10.073,1164 34.114,1165 16.896,1166 17306,1167 26169,1168 23.057,1169 43.347,1170 50.663,1171 52.417,1172 52.529,1173 50.249,1174 50.253,1175 65.138,1176 8.581,1177 135.849,1178 49.503,1179 5.243,1180 5.624,1181 6.195,1182 5.025,1183 4.987,1184 6.942,1185 3.43,1186 16.433,1187 5.039,1188 17.843,1189 1.448,1190 1.498,1191 1.501,1192 1.436,1193 1.436,1194 1.861,1195 0.245,1196 3.881,1197 1.414,1198 4.023,1199 4.05,1200 3.969,1201 3.953,1202 7.43,1203 3.953,1204 3.913,1205 3.948,1206 3.842,1207 3.848,1208 7.426,1209 3.841,1210 3.855,1211 3.89,1212 3.788,1213 3.785,1214 4.778,1215 3.781,1216 3.739,1217 3.806,1218 3.625,1219 3.539,1220 4.729,1221 3.549,1222 3.52,1223 3.593,1224 3.405,1225 3.325,1226 4.669,1227 3.335,1228 3.403,1229 3.454,1230 3.289,1231 3.184,1232 4.289,1233 3.201,1234 3.306,1235 3.407,1236 3.092,1237 3.123,1238 4.183,1239 3.089,1240 3.176,1241 3.204,1242 3.04,1243 3.02,1244 3.892,1245 3.028,1246 0.124,1247 0.104,1248 0.183,1249 0.114,1250 0.085,1251 4.345,1252 0.113,1253 3.624,1254 0.056,1255 6.394,1256 0.277,1257 4.005,1258 0.087,1259 2.987,1260 3.942,1261 1.959,1262 9.679,1263 3.039,1264 1.977,1265 1.957,1266 2.078,1267 2.066,1268 1.236,1269 2.071,1270 1.914,1271 1.883,1272 2.037,1273 2.012,1274 1.172,1275 2.021,1276 1.85,1277 1.821,1278 1.972,1279 1.957,1280 1.142,1281 1.965,1282 1.692,1283 1.619,1284 1.933,1285 1.903,1286 1.068,1287 1.917,1288 1.481,1289 1.409,1290 1.725,1291 1.709,1292 0.869,1293 1.719,1294 1.351,1295 1.282,1296 1.725,1297 1.586,1298 0.847,1299 1.638,1300 1.335,1301 1.256,1302 1.563,1303 1.584,1304 0.715,1305 1.579,1306 1.134,1307 1.099,1308 1.378,1309 1.323,1310 0.544,1311 1.328,1312 4.263,1314 5.541,1316 7.006,1318 8.547,1320 10.126,1322 6.161,1328 3.712,1329 2.893,1333 4.301,1340 40.396,1341 91.104,1342 205.253,1343 274.295,1344 315.91,1345 330.665,1346 332.665,1347 71.965,1348 7.498,1349 52.65,1350 52.65,1351 18,1352 12.334,1353 4.392,1354 3.585,1355 64.817,1356 184,1357 171,1358 0.167,1359 253.35,1360 444.72,1361 609.934,1362 20691,1364 23.631,1365 0.716,1366 0.599,1367 23.631,1368 19.752,1369 15.978,1370 0.457,1371 0.328,1372 11.353,1373 15.553,1374 10.942,1375 9.208,1376 15.978,1377 11.465,1378 13.76,1379 0.299,1380 0.18,1381 13.76,1382 8.271,1383 11.092,1384 0.198,1385 0.101,1386 11.092,1387 5.656,1388 8.798,1389 0.131,1390 0.056,1391 8.798,1392 3.747,1393 6.605,1394 0.085,1395 0.03,1396 6.605,1397 2.303,1398 0.276,1399 98.74,1400 0.208,1401 31.858,1402 0.424,1403 162,1404 423.094,1405 172.202,1406 417.709,1407 563.51,1408 390,1409 183,1410 400.399,1411 193.731,1412 414.407,1413 594.83,1414 387,1415 6.678}
{0 CHEMBL1773479,1 1.378,2 16.735,3 5.148,4 26.506,5 138.591,6 6.801,7 0.486,8 4.265,9 4.394,10 3.756,11 3.836,12 5.286,13 3.787,14 4.819,15 5.012,16 4.068,17 4.225,18 5.778,19 4.148,20 5.103,21 5.325,22 4.111,23 4.38,24 6.059,25 4.258,26 5.204,27 5.479,28 4.035,29 4.323,30 6.118,31 4.185,32 5.05,33 5.285,34 3.983,35 4.245,36 6.076,37 4.13,38 5.02,39 5.274,40 3.881,41 4.216,42 5.952,43 4.073,44 4.913,45 5.166,46 3.806,47 4.14,48 5.816,49 3.999,50 4.786,51 5.013,52 3.796,53 4.07,54 5.831,55 3.941,56 0.053,57 0.934,58 14.808,59 6.379,60 8.615,61 8.83,62 0.246,63 1.552,64 27.276,65 10.306,66 22.143,67 14.757,68 0.335,69 1.928,70 37.061,71 14.38,72 45.874,73 20.317,74 0.354,75 1.991,76 42.469,77 15.493,78 60.075,79 22.283,80 0.367,81 1.735,82 36.104,83 13.104,84 64.895,85 18.263,86 0.352,87 1.687,88 34.883,89 13.203,90 54.708,91 18.76,92 0.298,93 1.516,94 31.124,95 12.207,96 43.855,97 17.287,98 0.244,99 1.371,100 26.813,101 10.978,102 54.938,103 15.463,104 10,105 49,106 0.217,107 0.494,108 0.663,109 0.774,110 0.809,111 0.814,112 3.56,113 0.977,114 -5.07,115 -4.97,116 -4.66,121 43.3,123 3,126 1,127 5,144 13,145 4,146 1,159 1,160 1,176 18,180 6,183 1,185 2,187 18,191 1,192 9,195 1,197 2,200 12,206 10,211 1,214 9,219 9,224 2,227 13,232 4,235 1,237 2,239 14,243 1,244 2,249 2,251 16,255 1,256 3,261 2,264 14,268 1,269 6,274 1,277 9,281 2400,282 23.154,283 23.154,284 23.154,285 23.154,286 23.154,287 20.772,288 25.087,289 14.079,290 23.364,291 18.31,292 18.31,293 18.31,294 18.31,295 18.31,296 14.737,297 32.925,298 6.785,299 18.627,300 4.688,301 2.932,302 1.86,303 1.157,304 0.937,305 0.907,306 4.257,312 1,313 1227,314 4,318 552.489,325 2.986,326 25.276,329 1,330 0.83,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.85,337 71.5,338 569,339 4.345,340 3.625,341 6.394,342 4.005,343 2.987,344 3.942,345 1.959,346 9.679,347 3.039,348 4.013,349 3.58,350 5.596,351 3.676,352 2.706,353 3.579,354 0.995,355 7.706,356 2.63,357 3.93,358 3.036,359 5.568,360 3.631,361 2.664,362 3.454,363 0.815,364 7.635,365 2.578,366 3.826,367 2.756,368 5.399,369 3.49,370 2.51,371 3.172,372 0.359,373 7.097,374 2.471,375 3.64,376 2.678,377 5.32,378 3.38,379 2.407,380 2.846,381 0.163,382 6.912,383 2.328,384 3.376,385 2.548,386 5.117,387 3.097,388 2.115,389 2.566,391 6.092,392 2.072,393 3.215,394 2.23,395 4.649,396 2.917,397 1.933,398 2.288,400 5.036,401 1.892,402 3.094,403 1.933,404 4.609,405 2.758,406 1.77,407 2.231,409 4.884,410 1.738,411 2.784,412 1.812,413 3.709,414 2.383,415 1.395,416 1.866,418 3.005,419 1.377,420 2.5,421 1.535,422 3.57,423 2.368,424 1.383,425 1.5,427 2.99,428 1.355,429 2.5,430 1.486,431 3.556,432 2,433 1,434 1.5,436 2.284,437 1,438 2.5,439 1.077,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.497,448 1,449 3.414,450 2,451 1,452 1.427,454 2.275,455 1,456 2.423,457 1,458 3.247,459 1.984,460 1,461 1.33,463 2.136,464 0.983,465 2,466 1,467 3.247,468 1.955,469 0.902,470 1,472 2.136,473 0.942,474 16.367,475 0.481,476 0.694,477 0.02,478 42.5,479 1.25,480 21.5,481 0.632,482 21,483 0.618,484 28.774,485 0.846,486 36.433,487 0.544,488 33.614,489 0.989,490 8.483,491 0.25,492 8.08,493 0.238,494 0.071,496 0.263,501 0.689,502 1.309,503 0.872,504 1.101,505 0.531,506 1.016,507 0.915,508 1.06,509 1.007,510 0.981,511 0.56,512 0.984,513 0.935,514 1.143,515 1.091,516 1.151,517 0.875,518 1.138,519 1.045,520 0.931,521 0.874,522 0.901,523 0.989,524 0.872,525 1.562,526 1.002,527 1.093,528 0.979,529 1.702,530 0.991,531 1.047,532 0.944,533 1.011,534 0.962,535 1.144,536 0.981,537 0.889,538 0.908,539 0.949,540 0.935,541 1.011,542 0.95,543 0.592,544 1.147,545 0.966,546 1.16,547 0.619,548 1.111,549 6.5,550 0.19,551 2.667,552 2.125,553 1.467,554 0.833,555 0.725,556 0.299,557 0.262,558 0.276,559 20797,560 44632,561 2.095,562 49.3,563 2,564 26,567 1,569 4,572 1.752,573 2,574 3.998,575 -0.45,582 92.327,583 1.378,584 3.134,585 4.206,586 4.909,587 5.129,588 5.159,589 3.477,590 3.676,591 5.054,592 4.202,593 2357.58,594 8.821,595 39828,600 406.428,601 1.223,602 5.037,603 0.176,604 0.007,605 0.054,606 0.044,607 0.033,608 0.02,609 0.019,610 0.008,611 0.007,612 0.009,613 0.378,614 0.33,615 1,616 0.459,617 188.994,618 0.006,619 -0.133,620 0.053,621 -0.03,622 -0.008,623 0.007,624 -0.022,625 0.079,626 -0.041,627 0.016,628 0.034,629 -0.005,630 0.022,631 -0.106,632 -0.118,633 -0.153,634 0.025,635 -0.151,636 0.008,637 0.022,638 0.128,639 0.063,640 0.067,641 0.103,642 -0.158,643 -0.011,644 -0.075,645 -0.006,646 -0.148,647 -0.028,648 -0.022,649 0.032,650 -0.022,651 0.022,652 -0.078,653 0.002,654 0.017,655 0.06,656 0.027,657 0.064,658 -0.052,659 0.047,660 0.201,661 -0.154,662 -0.01,663 -0.137,664 0.228,665 -0.099,666 1.685,667 5.913,668 0.706,669 51.682,670 0.988,671 1.122,672 3.842,673 14.759,674 0.662,675 3.638,676 3.912,677 4.111,678 4.317,679 4.489,680 4.443,681 4.575,682 4.654,683 4.654,684 4.796,685 9.593,686 0.618,687 455.65,688 3.638,689 5.153,690 5.969,691 6.812,692 7.638,693 8.484,694 9.314,695 10.162,696 10.996,697 11.845,698 4.5,701 2,705 1,715 13,720 5,722 18,727 1,741 67,743 20,744 3,745 37,747 70,748 29,749 18,750 5,751 13,752 1,756 4,757 4,767 3,770 3,772 20,773 9,777 2,782 2,786 2,793 33,794 5,795 1,796 5,802 3,808 1,809 2,829 4,843 1,855 2,859 4,864 1,868 34,876 8,877 1,881 2,893 3,896 2,901 17,902 12.067,903 7.556,904 4.131,907 3.124,908 1.401,909 0.982,910 8.377,911 10.92,912 3.892,913 4.401,914 4.877,915 5.368,916 5.852,917 5.915,918 6.248,919 6.52,920 6.709,921 7.112,922 1,923 48,924 12.642,926 5.286,927 0.026,929 7.623,931 24.656,933 20.193,936 2.123,937 72.167,941 376.675,942 175.057,943 24.259,945 50.29,948 175.057,949 426.965,950 24.259,951 8.396,952 36.143,953 123.191,954 60.128,955 21.748,957 376.675,959 376.675,960 199.316,961 50.29,964 329.591,965 97.374,968 42.391,969 156.925,972 376.675,973 74.549,974 175.057,977 376.675,978 43.469,979 137.836,980 18.011,981 50.29,982 376.675,983 74.549,984 175.057,986 0.57,987 0.319,988 0.17,989 0.09,990 21,991 9,992 0.129,993 9,995 1,996 4.764,997 291.668,999 24,1000 156.974,1005 24.034,1006 11.851,1007 7.195,1009 74.549,1010 25.369,1015 4.444,1017 18.011,1018 626.281,1019 48,1024 25.221,1028 -0.024,1031 66.214,1032 75.142,1034 0.227,1035 0.517,1036 0.693,1037 0.809,1038 0.846,1039 0.851,1040 5.103,1041 1.77,1042 5.916,1043 5.036,1044 4.595,1045 5.088,1046 2.361,1047 6.635,1048 4.565,1049 6.261,1050 1.395,1051 7.414,1052 4.884,1053 4.007,1054 4.649,1055 1.738,1056 7.306,1057 3.967,1058 7.524,1059 1.383,1060 9.005,1061 3.005,1062 6.103,1063 7.131,1064 3.124,1065 10.366,1066 6.045,1067 8.815,1068 1,1069 10.653,1070 2.99,1071 6.312,1072 7.479,1073 3.163,1074 11.858,1075 6.26,1076 10.136,1077 1,1078 12.336,1079 2.284,1080 7.852,1081 9.442,1082 4.24,1083 14.408,1084 7.783,1085 11.478,1086 1,1087 14.046,1088 2.275,1089 8.453,1090 10.181,1091 4.581,1092 16.276,1093 8.404,1094 12.837,1095 1,1096 15.775,1097 2.275,1098 9.738,1099 11.893,1100 5.486,1101 18.637,1102 9.677,1103 2.987,1104 0.902,1105 17.519,1106 2.136,1107 10.549,1108 12.856,1109 5.978,1110 20.696,1111 10.514,1112 2.706,1113 9.679,1114 19.277,1115 2.136,1116 11.709,1117 14.426,1118 6.782,1119 22.987,1120 11.673,1121 2.664,1122 7.706,1123 21.045,1124 3.942,1125 12.635,1126 15.529,1127 7.354,1128 25.144,1129 12.628,1130 2.51,1131 7.635,1132 22.823,1133 3.579,1134 13.737,1135 17.013,1136 8.101,1137 27.412,1138 13.738,1139 2.407,1140 7.097,1141 24.61,1142 3.454,1143 14.727,1144 18.206,1145 8.717,1146 29.621,1147 14.756,1148 2.115,1149 6.912,1150 26.404,1151 3.172,1152 15.804,1153 19.638,1154 9.432,1155 31.883,1156 15.849,1157 1.933,1158 6.092,1159 28.205,1160 2.846,1161 16.829,1162 20.889,1163 10.073,1164 34.12,1165 16.903,1166 19581,1167 28857,1168 25.137,1169 44.347,1170 54.396,1171 55.926,1172 55.053,1173 53.751,1174 53.722,1175 68.603,1176 8.581,1177 144.751,1178 52.98,1179 5.345,1180 5.625,1181 6.195,1182 5.041,1183 4.987,1184 6.942,1185 3.43,1186 16.433,1187 5.039,1188 13.641,1189 1.47,1190 1.512,1191 1.488,1192 1.453,1193 1.452,1194 1.854,1195 0.232,1196 3.912,1197 1.432,1198 4.025,1199 4.054,1200 3.97,1201 3.954,1202 7.43,1203 3.954,1204 3.914,1205 3.949,1206 3.842,1207 3.848,1208 7.426,1209 3.841,1210 3.872,1211 3.924,1212 3.793,1213 3.786,1214 4.778,1215 3.782,1216 3.824,1217 3.867,1218 3.713,1219 3.689,1220 4.729,1221 3.685,1222 3.535,1223 3.599,1224 3.439,1225 3.337,1226 4.669,1227 3.353,1228 3.472,1229 3.526,1230 3.356,1231 3.266,1232 4.312,1233 3.281,1234 3.2,1235 3.235,1236 3.118,1237 3.045,1238 4.183,1239 3.054,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.894,1245 2.91,1246 0.117,1247 0.098,1248 0.173,1249 0.108,1250 0.081,1251 4.345,1252 0.107,1253 3.625,1254 0.053,1255 6.394,1256 0.262,1257 4.005,1258 0.082,1259 2.987,1260 3.942,1261 1.959,1262 9.679,1263 3.039,1264 1.977,1265 1.957,1266 2.079,1267 2.068,1268 1.406,1269 2.072,1270 1.914,1271 1.883,1272 2.056,1273 2.03,1274 1.235,1275 2.04,1276 1.855,1277 1.822,1278 2.035,1279 1.999,1280 1.144,1281 2.013,1282 1.82,1283 1.759,1284 1.964,1285 1.933,1286 1.071,1287 1.946,1288 1.485,1289 1.419,1290 1.726,1291 1.715,1292 0.86,1293 1.721,1294 1.413,1295 1.359,1296 1.624,1297 1.647,1298 0.839,1299 1.643,1300 1.153,1301 1.118,1302 1.513,1303 1.376,1304 0.825,1305 1.429,1306 1.153,1307 1.064,1308 1.38,1309 1.351,1310 0.546,1311 1.35,1312 4.317,1314 5.602,1316 7.072,1318 8.619,1320 10.202,1322 2.096,1328 7.67,1329 2.942,1333 4.449,1340 41.396,1341 92.327,1342 209.996,1343 281.793,1344 328.918,1345 343.673,1346 345.673,1347 65.176,1348 7.796,1349 52.65,1350 52.65,1351 24,1352 12.406,1353 4.392,1354 3.585,1355 57.437,1356 195,1357 182,1358 0.138,1359 255.549,1360 449.66,1361 615.299,1362 31747,1364 23.753,1365 0.699,1366 0.585,1367 23.753,1368 19.873,1369 16.564,1370 0.448,1371 0.326,1372 11.938,1373 16.155,1374 11.606,1375 9.685,1376 16.564,1377 12.051,1378 14.582,1379 0.298,1380 0.187,1381 14.582,1382 9.146,1383 11.662,1384 0.194,1385 0.104,1386 11.662,1387 6.211,1388 9.599,1389 0.13,1390 0.06,1391 9.599,1392 4.417,1393 7.421,1394 0.084,1395 0.034,1396 7.421,1397 2.988,1398 0.229,1399 102.254,1400 0.199,1401 32.745,1402 0.349,1403 172,1404 433.094,1405 182.202,1406 427.729,1407 578.97,1408 400,1409 195,1410 412.399,1411 206.064,1412 426.879,1413 614.19,1414 399,1415 6.26}
{0 CHEMBL1773480,1 1.442,2 16.735,3 3.919,4 15.358,5 135.525,6 7.04,7 0.486,8 4.248,9 4.369,10 3.768,11 3.795,12 5.301,13 3.762,14 4.796,15 4.979,16 4.075,17 4.171,18 5.799,19 4.116,20 5.046,21 5.248,22 4.113,23 4.33,24 6.054,25 4.228,26 5.153,27 5.417,28 4.036,29 4.294,30 6.098,31 4.166,32 5.044,33 5.276,34 3.987,35 4.22,36 6.086,37 4.114,38 4.989,39 5.234,40 3.894,41 4.187,42 5.981,43 4.052,44 4.883,45 5.134,46 3.805,47 4.115,48 5.775,49 3.977,50 4.761,51 4.979,52 3.806,53 4.033,54 5.838,55 3.917,56 0.032,57 0.908,58 13.961,59 6.098,60 8.173,61 8.181,62 0.296,63 1.483,64 26.424,65 9.609,66 25.49,67 13.277,68 0.411,69 1.809,70 34.578,71 13.215,72 47.872,73 18.179,74 0.32,75 1.894,76 40.306,77 14.801,78 59.198,79 21.116,80 0.407,81 1.701,82 35.995,83 12.8,84 69.775,85 17.623,86 0.508,87 1.625,88 33.914,89 12.667,90 66.654,91 17.899,92 0.269,93 1.463,94 30.114,95 11.991,96 38.6,97 16.912,98 0.219,99 1.326,100 25.891,101 10.542,102 55.415,103 14.676,104 10,105 49,106 0.229,107 0.51,108 0.67,109 0.771,110 0.807,111 0.812,112 3.56,113 0.943,114 -4.1,115 -4.05,116 -3.83,121 43.1,126 1,127 7,144 13,145 4,146 1,159 1,160 1,176 16,180 4,183 1,185 2,187 17,191 2,192 8,195 1,197 2,200 12,206 10,211 1,214 9,219 7,227 13,231 1,232 3,235 2,237 1,239 14,243 1,244 2,249 2,251 12,255 1,256 5,261 2,264 8,268 1,269 8,274 1,277 5,281 2400,282 23.154,283 23.154,284 23.154,285 23.154,286 23.154,287 20.772,288 25.863,289 14.079,290 23.524,291 18.31,292 18.31,293 18.31,294 18.31,295 18.31,296 14.737,297 34.465,298 6.785,299 18.85,300 4.58,301 2.807,302 1.802,303 1.162,304 0.935,305 0.904,306 4.257,312 1,313 1227,314 4,318 552.489,325 2.986,326 28.356,329 1,330 0.83,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.85,337 72.5,338 569,339 4.345,340 3.625,341 6.394,342 4.005,343 2.987,344 3.942,345 1.959,346 9.679,347 3.039,348 4.013,349 3.58,350 5.596,351 3.676,352 2.706,353 3.579,354 0.995,355 7.706,356 2.629,357 3.93,358 3.036,359 5.568,360 3.629,361 2.664,362 3.454,363 0.86,364 7.635,365 2.576,366 3.826,367 2.82,368 5.399,369 3.488,370 2.51,371 3.172,372 0.815,373 7.097,374 2.469,375 3.64,376 2.679,377 5.32,378 3.375,379 2.407,380 2.846,381 0.359,382 6.912,383 2.314,384 3.376,385 2.553,386 5.117,387 3.09,388 2.115,389 2.566,390 0.163,391 6.092,392 2.049,393 3.215,394 2.231,395 4.649,396 2.909,397 1.933,398 2.288,400 5.036,401 1.874,402 3.094,403 2.13,404 4.609,405 2.754,406 1.77,407 2.231,409 4.884,410 1.733,411 2.784,412 1.933,413 3.709,414 2.38,415 1.395,416 1.866,418 3.005,419 1.374,420 2.5,421 1.812,422 3.57,423 2.255,424 1.383,425 1.5,427 2.99,428 1.191,429 2.5,430 1.486,431 3.556,432 2,433 1,434 1.5,436 2.284,437 1,438 2.5,439 1.256,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.497,448 1,449 3.414,450 2,451 1,452 1.427,454 2.275,455 1,456 2.423,457 1,458 3.247,459 1.954,460 1,461 1.33,463 2.136,464 0.946,465 2,466 1,467 3.247,468 1.952,469 0.902,470 1,472 2.136,473 0.94,474 16.2,475 0.476,476 0.694,477 0.02,478 43,479 1.265,480 21.5,481 0.632,482 21.5,483 0.632,484 27.506,485 0.809,486 36.6,487 0.563,488 34.881,489 1.026,490 8.981,491 0.264,492 7.582,493 0.223,494 0.072,496 0.265,501 0.734,502 1.346,503 0.831,504 1.129,505 0.556,506 1.01,507 1.149,508 1.01,509 1.02,510 0.916,511 0.655,512 0.93,513 1.003,514 1.112,515 1.141,516 1.138,517 0.947,518 1.155,519 0.845,520 0.989,521 0.874,522 0.965,523 0.979,524 0.928,525 1.366,526 0.978,527 1.079,528 0.956,529 1.648,530 0.977,531 0.781,532 0.921,533 1.001,534 0.965,535 1.057,536 1.005,537 0.631,538 0.929,539 0.882,540 0.962,541 0.763,542 0.961,543 0.578,544 1.184,545 0.948,546 1.201,547 0.608,548 1.137,549 6.5,550 0.19,551 2.667,552 2.125,553 1.467,554 0.833,555 0.725,556 0.299,557 0.262,558 0.276,559 20797,560 49552,561 2.095,562 47.7,564 30,567 1,572 1.752,573 2,574 3.998,575 -0.421,582 93.758,583 1.442,584 3.215,585 4.22,586 4.861,587 5.088,588 5.118,589 3.477,590 3.676,591 5.054,592 4.202,593 2357.58,594 8.821,595 39828,600 391.454,601 1.223,602 5.037,603 0.176,604 0.007,605 0.054,606 0.044,607 0.033,608 0.02,609 0.019,610 0.008,611 0.007,612 0.009,613 0.378,614 0.33,615 1,616 0.459,617 188.994,618 -0.005,619 -0.17,620 0.057,621 -0.061,622 -0.023,623 -0.006,624 -0.106,625 0.125,626 -0.058,627 0.069,628 -0.012,629 0.025,630 -0.014,631 -0.062,632 -0.179,633 -0.139,634 -0.017,635 -0.177,636 0.013,637 -0.033,638 0.11,639 0.014,640 0.058,641 0.067,642 -0.159,643 0.006,644 -0.071,645 0.017,646 -0.165,647 -0.011,648 0.122,649 0.06,650 -0.024,651 0.023,652 -0.013,653 -0.014,654 0.059,655 0.029,656 0.071,657 0.052,658 -0.007,659 0.06,660 0.166,661 -0.191,662 -0.007,663 -0.175,664 0.226,665 -0.122,666 1.728,667 5.901,668 0.706,669 51.682,670 0.995,671 1.122,672 2.874,673 8.262,674 0.662,675 3.638,676 3.912,677 4.111,678 4.317,679 4.489,680 4.443,681 4.575,682 4.654,683 4.654,684 4.796,685 9.593,686 0.624,687 457.62,688 3.638,689 5.153,690 5.969,691 6.812,692 7.638,693 8.484,694 9.314,695 10.162,696 10.996,697 11.845,698 4.6,701 2,705 1,715 13,720 5,722 18,727 1,741 65,743 20,744 3,745 37,747 68,748 28,749 18,750 5,751 13,752 1,756 4,757 4,772 20,773 8,777 2,782 2,786 2,793 31,794 6,795 1,796 6,802 3,808 1,809 3,829 4,843 1,855 2,858 1,859 4,864 1,868 34,876 7,877 1,878 1,881 2,893 4.6,896 2,897 1,901 17,902 11.733,903 7.556,904 3.797,907 3.124,908 1.401,909 0.978,910 8.345,911 10.92,912 3.892,913 4.401,914 4.877,915 5.368,916 5.852,917 5.915,918 6.248,919 6.52,920 6.709,921 7.112,922 1,923 48,924 12.623,926 5.27,927 0.026,929 7.681,931 24.374,933 19.733,936 2.181,937 74.167,941 353.133,942 176.638,943 24.259,945 61.29,948 176.638,949 414.423,950 24.259,951 8.396,952 37.724,953 123.191,954 71.128,955 21.748,957 353.133,959 353.133,960 200.897,961 61.29,964 353.133,965 50.29,966 11,968 43.973,969 156.925,972 353.133,973 85.549,974 176.638,977 353.133,978 45.05,979 137.836,980 18.011,981 61.29,982 353.133,983 85.549,984 176.638,986 0.57,987 0.319,988 0.17,989 0.09,990 21,991 9,992 0.132,993 9,995 1,996 4.764,997 291.668,999 24,1000 156.974,1005 23.997,1006 11.823,1007 7.176,1009 85.549,1010 25.22,1015 4.371,1017 18.011,1018 615.32,1019 48,1024 25.169,1028 -0.093,1031 64.658,1032 72.936,1034 0.24,1035 0.534,1036 0.701,1037 0.807,1038 0.845,1039 0.85,1040 5.103,1041 1.77,1042 5.916,1043 5.036,1044 4.595,1045 5.088,1046 2.491,1047 6.635,1048 4.549,1049 6.261,1050 1.395,1051 7.414,1052 4.884,1053 4.007,1054 4.649,1055 1.738,1056 7.306,1057 3.967,1058 7.524,1059 1.383,1060 9.005,1061 3.005,1062 6.103,1063 7.131,1064 3.171,1065 10.366,1066 6.026,1067 8.815,1068 1,1069 10.653,1070 2.99,1071 6.312,1072 7.479,1073 3.163,1074 11.858,1075 6.26,1076 10.136,1077 1,1078 12.336,1079 2.284,1080 7.852,1081 9.442,1082 4.252,1083 14.408,1084 7.767,1085 11.478,1086 1,1087 14.046,1088 2.275,1089 8.453,1090 10.181,1091 4.581,1092 16.276,1093 8.402,1094 12.837,1095 1,1096 15.775,1097 2.275,1098 9.738,1099 11.893,1100 5.488,1101 18.637,1102 9.664,1103 2.987,1104 0.902,1105 17.519,1106 2.136,1107 10.549,1108 12.856,1109 5.978,1110 20.696,1111 10.511,1112 2.706,1113 9.679,1114 19.277,1115 2.136,1116 11.709,1117 14.426,1118 6.783,1119 22.987,1120 11.663,1121 2.664,1122 7.706,1123 21.045,1124 3.942,1125 12.635,1126 15.529,1127 7.354,1128 25.144,1129 12.624,1130 2.51,1131 7.635,1132 22.823,1133 3.579,1134 13.737,1135 17.013,1136 8.101,1137 27.412,1138 13.731,1139 2.407,1140 7.097,1141 24.61,1142 3.454,1143 14.727,1144 18.206,1145 8.717,1146 29.621,1147 14.753,1148 2.115,1149 6.912,1150 26.404,1151 3.172,1152 15.804,1153 19.638,1154 9.432,1155 31.883,1156 15.844,1157 1.933,1158 6.092,1159 28.205,1160 2.846,1161 16.829,1162 20.889,1163 10.073,1164 34.12,1165 16.9,1166 19581,1167 30381,1168 25.137,1169 43.04,1170 54.396,1171 56.067,1172 55.053,1173 53.738,1174 53.722,1175 68.603,1176 10.301,1177 144.751,1178 52.441,1179 5.345,1180 5.625,1181 6.195,1182 5.109,1183 4.987,1184 6.942,1185 3.43,1186 16.433,1187 5.039,1188 13.641,1189 1.47,1190 1.515,1191 1.488,1192 1.452,1193 1.452,1194 1.854,1195 0.278,1196 3.912,1197 1.417,1198 4.024,1199 4.052,1200 3.97,1201 3.954,1202 7.43,1203 3.954,1204 3.914,1205 3.948,1206 3.842,1207 3.848,1208 7.426,1209 3.841,1210 3.86,1211 3.898,1212 3.791,1213 3.785,1214 4.779,1215 3.781,1216 3.793,1217 3.843,1218 3.688,1219 3.584,1220 4.73,1221 3.602,1222 3.526,1223 3.595,1224 3.426,1225 3.328,1226 4.669,1227 3.34,1228 3.446,1229 3.486,1230 3.342,1231 3.213,1232 4.62,1233 3.239,1234 3.188,1235 3.213,1236 3.111,1237 3.029,1238 4.183,1239 3.04,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.974,1245 2.91,1246 0.117,1247 0.098,1248 0.173,1249 0.108,1250 0.081,1251 4.345,1252 0.107,1253 3.625,1254 0.053,1255 6.394,1256 0.262,1257 4.005,1258 0.082,1259 2.987,1260 3.942,1261 1.959,1262 9.679,1263 3.039,1264 1.977,1265 1.957,1266 2.078,1267 2.067,1268 1.236,1269 2.071,1270 1.914,1271 1.883,1272 2.037,1273 2.016,1274 1.231,1275 2.022,1276 1.85,1277 1.821,1278 1.972,1279 1.981,1280 1.144,1281 1.98,1282 1.727,1283 1.669,1284 1.935,1285 1.926,1286 1.069,1287 1.935,1288 1.481,1289 1.412,1290 1.725,1291 1.711,1292 0.847,1293 1.719,1294 1.356,1295 1.313,1296 1.56,1297 1.617,1298 0.825,1299 1.598,1300 1.153,1301 1.106,1302 1.513,1303 1.376,1304 0.74,1305 1.429,1306 1.138,1307 1.064,1308 1.378,1309 1.331,1310 0.544,1311 1.331,1312 4.317,1314 5.602,1316 7.072,1318 8.619,1320 10.202,1322 2.091,1328 4.882,1329 2.901,1330 5.309,1333 4.318,1340 40.584,1341 93.758,1342 209.001,1343 274.329,1344 315.944,1345 330.699,1346 332.699,1347 64.917,1348 7.796,1349 61.88,1350 61.88,1351 24,1352 12.406,1353 4.392,1354 3.585,1355 57.437,1356 195,1357 182,1358 0.138,1359 249.953,1360 441.15,1361 601.645,1362 31747,1364 23.753,1365 0.699,1366 0.576,1367 23.753,1368 19.574,1369 16.564,1370 0.448,1371 0.314,1372 11.476,1373 16.01,1374 11.166,1375 9.266,1376 16.564,1377 11.628,1378 14.582,1379 0.298,1380 0.178,1381 14.582,1382 8.698,1383 11.662,1384 0.194,1385 0.098,1386 11.662,1387 5.866,1388 9.599,1389 0.13,1390 0.055,1391 9.599,1392 4.059,1393 7.421,1394 0.084,1395 0.03,1396 7.421,1397 2.673,1398 0.229,1399 103.254,1400 0.199,1401 32.745,1402 0.349,1403 172,1404 476.83,1405 185.08,1406 460.714,1407 618.33,1408 432,1409 195,1410 432.036,1411 208.832,1412 444.501,1413 640.67,1414 415,1415 6.143}
{0 CHEMBL1773481,1 1.342,2 18.973,3 5.961,4 35.529,5 152.496,6 6.549,7 0.45,8 4.38,9 4.513,10 3.835,11 3.944,12 5.363,13 3.886,14 4.947,15 5.148,16 4.135,17 4.336,18 5.86,19 4.243,20 5.245,21 5.483,22 4.173,23 4.487,24 6.135,25 4.352,26 5.331,27 5.612,28 4.087,29 4.44,30 6.202,31 4.285,32 5.201,33 5.456,34 4.028,35 4.387,36 6.109,37 4.241,38 5.186,39 5.455,40 3.948,41 4.367,42 6.026,43 4.193,44 5.112,45 5.391,46 3.906,47 4.263,48 5.941,49 4.102,50 4.951,51 5.192,52 3.92,53 4.138,54 6.018,55 4.024,56 0.07,57 1.053,58 17.433,59 7.425,60 9.48,61 10.432,62 0.27,63 1.747,64 31.796,65 12.101,66 23.831,67 17.552,68 0.31,69 2.181,70 43.246,71 16.531,72 46.807,73 23.806,74 0.42,75 2.231,76 47.954,77 17.421,78 66.787,79 25.3,80 0.362,81 1.991,82 41.778,83 15.856,84 59.356,85 22.569,86 0.408,87 1.955,88 40.874,89 16.364,90 52.204,91 23.392,92 0.309,93 1.791,94 38.005,95 14.891,96 42.047,97 21.434,98 0.379,99 1.572,100 32.76,101 11.799,102 70.09,103 16.911,104 10,105 52,106 0.207,107 0.479,108 0.659,109 0.765,110 0.812,111 0.827,112 3.641,113 1.016,114 -5.64,115 -5.51,116 -5.14,121 42.1,123 6,126 1,127 5,144 13,145 4,146 1,159 1,160 1,176 20,180 8,183 1,185 3,187 19,192 11,197 3,200 12,206 12,211 2,214 13,219 5,227 20,231 1,232 1,235 2,237 1,239 22,243 1,244 1,249 2,251 16,255 1,256 8,261 4,264 10,269 9,274 2,277 8,281 3201,282 25.275,283 25.275,284 25.275,285 25.275,286 25.275,287 22.893,288 28.216,289 15.518,290 25.494,291 19.794,292 19.794,293 19.794,294 19.794,295 19.794,296 16.21,297 35.677,298 7.474,299 20.118,300 4.906,301 3.14,302 1.972,303 1.28,304 0.977,305 0.878,306 4.339,312 1,313 1506,314 4.359,318 622.892,325 3.379,326 26.112,329 0.75,330 0.67,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.8,337 77.5,338 702,339 4.345,340 3.595,341 6.394,342 4.005,343 2.987,344 3.942,345 1.907,346 9.679,347 3.039,348 4.009,349 3.576,350 5.587,351 3.666,352 2.694,353 3.579,354 0.995,355 7.68,356 2.625,357 3.927,358 3.036,359 5.507,360 3.589,361 2.607,362 3.454,363 0.8,364 7.432,365 2.556,366 3.807,367 2.83,368 5.357,369 3.461,370 2.521,371 3.167,372 0.359,373 6.997,374 2.45,375 3.554,376 2.679,377 5.34,378 3.442,379 2.452,380 2.788,381 0.149,382 6.965,383 2.343,384 3.512,385 2.559,386 5.144,387 3.199,388 2.195,389 2.528,391 6.178,392 2.199,393 3.293,394 2.231,395 4.782,396 2.969,397 1.993,398 2.495,400 5.364,401 1.938,402 3.1,403 1.934,404 4.626,405 2.775,406 1.796,407 2.242,409 4.942,410 1.75,411 2.785,412 1.812,413 3.73,414 2.585,415 1.589,416 1.867,418 3.308,419 1.579,420 2.621,421 1.685,422 3.688,423 2.38,424 1.389,425 1.617,427 2.998,428 1.375,429 2.5,430 1.486,431 3.563,432 2.258,433 1.268,434 1.5,436 2.71,437 1.251,438 2.5,439 1.441,440 3.424,441 2,442 1,443 1.5,445 2.276,446 1,447 2.5,448 1.077,449 3.414,450 2,451 1,452 1.5,454 2.275,455 1,456 2.494,457 1,458 3.414,459 2,460 1,461 1.357,463 2.275,464 1,465 2.31,466 1,467 3.247,468 1.984,469 1,470 1.28,472 2.136,473 0.983,474 17.867,475 0.483,476 0.694,477 0.019,478 44,479 1.189,480 21.5,481 0.581,482 22.5,483 0.608,484 34.324,485 0.928,486 40.333,487 0.531,488 34.595,489 0.935,490 8.508,491 0.23,492 9.556,493 0.258,494 0.065,496 0.241,501 0.696,502 1.325,503 0.919,504 1.137,505 0.532,506 1.059,507 0.906,508 1.103,509 1.042,510 1.036,511 0.554,512 1.036,513 1.009,514 1.149,515 1.07,516 1.12,517 0.863,518 1.099,519 1.16,520 0.908,521 0.935,522 0.894,523 1.077,524 0.891,525 1.248,526 0.964,527 1.04,528 0.98,529 1.319,530 0.992,531 0.674,532 0.939,533 0.963,534 1.013,535 0.85,536 1.02,537 0.721,538 0.949,539 0.832,540 0.938,541 0.871,542 0.906,543 1.255,544 1.092,545 0.984,546 1.018,547 1.321,548 0.981,549 6.5,550 0.149,551 2.889,552 2,553 1.467,554 0.75,555 0.726,556 0.385,557 0.316,558 0.301,559 27500,560 55289,561 2.087,562 51.3,563 4,564 26,567 1,568 2,569 6,572 1.772,573 2,574 4.168,575 -0.472,582 101.957,583 1.342,584 3.108,585 4.276,586 4.968,587 5.271,588 5.37,589 3.661,590 4.615,591 5.174,592 4.387,593 2922.07,594 9.059,595 54553.8,600 474.842,601 1.172,602 5.162,603 0.162,604 0.004,605 0.056,606 0.039,607 0.032,608 0.017,609 0.018,610 0.01,611 0.008,612 0.008,613 0.355,614 0.33,615 0.63,616 0.435,617 213.151,618 0.013,619 -0.122,620 0.051,621 -0.026,622 0.004,623 0.007,624 -0.01,625 0.041,626 -0.052,627 -0.015,628 0.044,629 -0.03,630 -0.049,631 -0.114,632 -0.083,633 -0.118,634 0.025,635 -0.105,636 -0.038,637 0.055,638 0.066,639 0.063,640 0.044,641 0.075,642 -0.099,643 0.018,644 -0.041,645 0.008,646 -0.07,647 -0.008,648 0.134,649 0.021,650 0.004,651 -0.012,652 0.006,653 -0.018,654 0.123,655 -0.008,656 0.14,657 0.052,658 0.03,659 0.089,660 0.122,661 -0.082,662 0.039,663 -0.041,664 0.158,665 -0.012,666 1.681,667 5.958,668 0.649,669 64.799,670 0.985,671 1.124,672 4.413,673 19.471,674 0.653,675 3.714,676 3.97,677 4.159,678 4.344,679 4.511,680 4.454,681 4.585,682 4.654,683 4.654,684 4.762,685 10.823,686 0.605,687 497.74,688 3.714,689 5.22,690 6.028,691 6.862,692 7.68,693 8.517,694 9.341,695 10.18,696 11.009,697 11.85,698 3.9,701 2,705 1,715 13,720 5,722 18,727 1,741 76,743 20,744 3,745 40,747 79,748 32,749 18,750 5,751 13,752 1,756 4,757 4,767 3,770 6,772 20,773 12,777 2,782 2,786 2,793 39,794 5,795 1,796 5,802 3,808 1,809 2,829 4,843 1,855 2,859 4,864 1,868 37,876 11,877 1,881 2,893 2.6,896 2,901 18.5,902 13.567,903 8.306,904 4.881,907 3.114,908 1.393,909 0.973,910 10.194,911 11.042,912 3.951,913 4.437,914 4.9,915 5.372,916 5.855,917 5.912,918 6.243,919 6.508,920 6.686,921 7.071,922 0.923,923 51,924 13.778,926 5.713,927 0.026,929 7.572,931 27.106,933 22.193,936 2.072,937 76.667,941 447.302,942 182.66,943 24.259,945 50.29,948 182.66,949 497.592,950 24.259,951 8.396,952 43.746,953 123.191,954 60.128,955 21.748,957 447.302,959 447.302,960 206.92,961 50.29,964 376.675,965 120.916,968 49.995,969 156.925,972 447.302,973 74.549,974 182.66,977 447.302,978 51.073,979 137.836,980 18.011,981 50.29,982 447.302,983 74.549,984 182.66,986 0.565,987 0.315,988 0.165,989 0.087,990 21,991 9,992 0.152,993 12,995 1,996 5.111,997 318.074,999 24,1000 176.75,1005 26.945,1006 13.998,1007 8.753,1009 74.549,1010 25.442,1015 4.469,1017 18.011,1018 704.512,1019 51,1024 25.277,1028 0.019,1031 74.865,1032 85.387,1034 0.215,1035 0.497,1036 0.684,1037 0.795,1038 0.844,1039 0.859,1040 5.156,1041 1.796,1042 5.964,1043 5.364,1044 4.654,1045 5.124,1046 2.308,1047 6.663,1048 4.626,1049 6.3,1050 1.589,1051 7.449,1052 4.942,1053 4.007,1054 4.649,1055 1.738,1056 7.306,1057 3.967,1058 7.554,1059 1.389,1060 9.03,1061 3.308,1062 6.142,1063 7.145,1064 3.004,1065 10.363,1066 6.088,1067 8.837,1068 1.268,1069 10.669,1070 2.998,1071 6.312,1072 7.479,1073 3.077,1074 11.848,1075 6.262,1076 10.152,1077 1,1078 12.346,1079 2.71,1080 7.873,1081 9.446,1082 4.063,1083 14.39,1084 7.809,1085 11.489,1086 1,1087 14.05,1088 2.276,1089 8.447,1090 10.179,1091 4.421,1092 16.258,1093 8.403,1094 12.844,1095 1,1096 15.774,1097 2.275,1098 9.742,1099 11.893,1100 5.257,1101 18.615,1102 9.688,1103 2.987,1104 1,1105 17.515,1106 2.275,1107 10.536,1108 12.853,1109 5.753,1110 20.676,1111 10.509,1112 2.694,1113 9.679,1114 19.27,1115 2.136,1116 11.7,1117 14.424,1118 6.503,1119 22.966,1120 11.673,1121 2.607,1122 7.68,1123 21.036,1124 3.942,1125 12.615,1126 15.526,1127 7.069,1128 25.126,1129 12.619,1130 2.521,1131 7.432,1132 22.812,1133 3.579,1134 13.719,1135 17.011,1136 7.772,1137 27.395,1138 13.732,1139 2.452,1140 6.997,1141 24.597,1142 3.454,1143 14.701,1144 18.203,1145 8.375,1146 29.606,1147 14.746,1148 2.195,1149 6.965,1150 26.391,1151 3.167,1152 15.779,1153 19.636,1154 9.051,1155 31.87,1156 15.841,1157 1.993,1158 6.178,1159 28.191,1160 2.788,1161 16.8,1162 20.887,1163 9.674,1164 34.109,1165 16.893,1166 25951,1167 37036,1168 27.216,1169 49.631,1170 58.162,1171 59.809,1172 58.877,1173 57.764,1174 57.725,1175 72.608,1176 8.419,1177 152.841,1178 56.97,1179 5.345,1180 5.595,1181 6.195,1182 5.04,1183 4.987,1184 6.942,1185 3.306,1186 16.433,1187 5.039,1188 14.528,1189 1.454,1190 1.495,1191 1.472,1192 1.444,1193 1.443,1194 1.815,1195 0.21,1196 3.821,1197 1.424,1198 4.027,1199 4.056,1200 3.971,1201 3.956,1202 7.43,1203 3.955,1204 3.914,1205 3.947,1206 3.843,1207 3.848,1208 7.426,1209 3.842,1210 3.875,1211 3.937,1212 3.789,1213 3.787,1214 4.778,1215 3.783,1216 3.842,1217 3.88,1218 3.728,1219 3.711,1220 4.729,1221 3.705,1222 3.673,1223 3.726,1224 3.551,1225 3.532,1226 4.669,1227 3.524,1228 3.516,1229 3.59,1230 3.393,1231 3.324,1232 4.343,1233 3.333,1234 3.382,1235 3.441,1236 3.252,1237 3.176,1238 4.183,1239 3.189,1240 3.193,1241 3.232,1242 3.101,1243 3.036,1244 4.024,1245 3.042,1246 0.109,1247 0.09,1248 0.16,1249 0.1,1250 0.075,1251 4.345,1252 0.099,1253 3.595,1254 0.048,1255 6.394,1256 0.242,1257 4.005,1258 0.076,1259 2.987,1260 3.942,1261 1.907,1262 9.679,1263 3.039,1264 1.977,1265 1.957,1266 2.079,1267 2.066,1268 1.424,1269 2.071,1270 1.914,1271 1.883,1272 2.069,1273 2.033,1274 1.27,1275 2.05,1276 1.855,1277 1.823,1278 2.037,1279 2.008,1280 1.235,1281 2.019,1282 1.838,1283 1.777,1284 1.972,1285 1.944,1286 1.144,1287 1.956,1288 1.674,1289 1.618,1290 1.917,1291 1.84,1292 1.069,1293 1.867,1294 1.48,1295 1.408,1296 1.725,1297 1.706,1298 0.852,1299 1.718,1300 1.331,1301 1.273,1302 1.579,1303 1.572,1304 0.835,1305 1.574,1306 1.153,1307 1.114,1308 1.513,1309 1.376,1310 0.825,1311 1.429,1312 4.394,1314 5.666,1316 7.122,1318 8.655,1320 10.226,1322 2.099,1328 11.633,1329 2.961,1333 4.767,1340 45.976,1341 101.957,1342 236.17,1343 324.988,1344 377.558,1345 400.578,1346 408.088,1347 76.13,1348 7.928,1349 52.65,1350 52.65,1351 24,1352 12.417,1353 4.392,1354 3.585,1355 65.515,1356 239,1357 237,1358 0.127,1359 284.326,1360 501.56,1361 685.515,1362 39824,1364 25.874,1365 0.699,1366 0.594,1367 25.874,1368 21.995,1369 18.064,1370 0.452,1371 0.339,1372 13.438,1373 17.651,1374 13.081,1375 10.919,1376 18.064,1377 13.551,1378 15.631,1379 0.301,1380 0.196,1381 15.631,1382 10.169,1383 12.486,1384 0.198,1385 0.111,1386 12.486,1387 6.972,1388 10.03,1389 0.132,1390 0.065,1391 10.03,1392 4.923,1393 7.772,1394 0.086,1395 0.038,1396 7.772,1397 3.391,1398 0.213,1399 111.254,1400 0.192,1401 35.429,1402 0.315,1403 184,1404 445.094,1405 194.202,1406 439.948,1407 596.13,1408 412,1409 207,1410 424.399,1411 217.814,1412 438.581,1413 629.99,1414 411,1415 6.664}
{0 CHEMBL1773482,1 1.311,2 16.758,3 5.774,4 33.334,5 138.633,6 6.444,7 0.514,8 4.275,9 4.405,10 3.714,11 3.825,12 5.269,13 3.765,14 4.825,15 5.03,16 3.992,17 4.181,18 5.729,19 4.096,20 5.065,21 5.29,22 4.057,23 4.332,24 5.964,25 4.213,26 5.184,27 5.443,28 3.977,29 4.343,30 6.054,31 4.19,32 5.153,33 5.421,34 3.899,35 4.326,36 5.969,37 4.155,38 5.137,39 5.424,40 3.825,41 4.25,42 5.926,43 4.068,44 4.947,45 5.218,46 3.758,47 4.097,48 5.775,49 3.949,50 4.72,51 4.929,52 3.753,53 4.027,54 5.677,55 3.911,56 0.065,57 0.923,58 15.99,59 6.833,60 10.157,61 9.515,62 0.237,63 1.499,64 28.585,65 10.55,66 23.37,67 15.181,68 0.279,69 1.805,70 36.312,71 13.959,72 38.105,73 19.788,74 0.406,75 1.93,76 41.153,77 15.572,78 54.23,79 22.166,80 0.276,81 1.878,82 39.383,83 15.734,84 44.028,85 22.43,86 0.382,87 1.786,88 38.923,89 15.412,90 50.447,91 22.024,92 0.343,93 1.489,94 32.463,95 12.364,96 40.292,97 17.524,98 0.184,99 1.27,100 25.536,101 10.289,102 29.383,103 14.301,104 26,105 45,106 0.207,107 0.472,108 0.669,109 0.765,110 0.798,111 0.803,112 3.531,113 1.02,114 -5.92,115 -5.77,116 -5.37,121 42,122 2,123 1,126 1,127 6,144 13,145 4,146 1,159 1,176 16,180 10,187 17,192 10,200 12,205 1,206 9,214 14,219 3,227 15,231 1,232 5,239 15,243 1,244 5,251 12,256 6,264 13,269 4,277 11,281 2310,282 22.585,283 22.585,284 22.585,285 22.585,286 22.585,287 20.358,288 25.555,289 13.707,290 22.984,291 17.149,292 17.149,293 17.149,294 17.149,295 17.149,296 13.841,297 32.713,298 6.385,299 17.684,300 4.797,301 3.116,302 1.864,303 1.261,304 1.047,305 1.018,306 4.216,312 1,313 1153,314 4.416,318 405.117,325 3.098,326 19.748,329 0.75,330 0.67,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.8,337 69,338 553,339 4.344,340 3.582,341 6.393,342 4.004,343 2.986,344 3.94,345 0.995,346 9.678,347 3.038,348 3.993,349 3.036,350 5.584,351 3.659,352 2.689,353 3.569,354 0.86,355 7.674,356 2.614,357 3.917,358 2.88,359 5.428,360 3.518,361 2.543,362 3.454,363 0.8,364 7.158,365 2.495,366 3.749,367 2.772,368 5.321,369 3.393,370 2.449,371 3.126,372 0.359,373 6.905,374 2.332,375 3.446,376 2.676,377 5.27,378 3.351,379 2.4,380 2.609,382 6.642,383 2.241,384 3.354,385 2.24,386 5.088,387 3.023,388 2.064,389 2.443,391 5.997,392 1.971,393 3.11,394 2.057,395 4.628,396 2.796,397 1.829,398 2.246,400 4.956,401 1.759,402 2.787,403 1.843,404 3.747,405 2.414,406 1.45,407 1.869,409 3.054,410 1.392,411 2.568,412 1.611,413 3.576,414 2.375,415 1.387,416 1.535,418 2.99,419 1.365,420 2.5,421 1.486,422 3.544,423 2,424 1,425 1.5,427 2.281,428 1,429 2.5,430 1,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.5,439 1,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.419,448 1,449 3.247,450 1.962,451 0.922,452 1.305,454 2.136,455 0.949,456 1.63,457 0.875,458 2.938,459 1.591,460 0.618,461 0.618,463 1.097,464 0.6,465 1.618,466 0.744,467 2.851,468 1.465,469 0.533,470 0.571,472 0.791,473 0.492,474 15.967,475 0.484,476 0.588,477 0.018,478 39.75,479 1.205,480 20,481 0.606,482 19.75,483 0.598,484 29.252,485 0.886,486 36.233,487 0.525,488 30.675,489 0.93,490 8.048,491 0.244,492 8.036,493 0.244,494 0.115,496 0.238,501 0.774,502 1.366,503 0.939,504 1.193,505 0.642,506 1.096,507 1.294,508 1,509 1.038,510 0.94,511 0.711,512 0.946,513 1.211,514 1.1,515 1.067,516 1.078,517 0.835,518 1.058,519 1.219,520 0.976,521 1.031,522 0.981,523 1.293,524 0.99,525 0.864,526 1.009,527 0.985,528 1.035,529 1.113,530 1.024,531 0.727,532 0.907,533 0.859,534 0.926,535 0.551,536 0.911,537 1.206,538 0.814,539 0.888,540 0.812,541 1.039,542 0.826,543 1.216,544 1.137,545 1.08,546 1.134,547 1.371,548 1.104,549 6,550 0.182,551 2.889,552 1.813,553 1.236,554 0.688,555 0.666,556 0.373,557 0.225,558 0.245,559 18333,560 37465,561 2.029,562 52.2,564 28,569 6,570 2,572 1.745,573 1.922,574 3.999,575 -0.871,582 90.489,583 1.311,584 2.992,585 4.244,586 4.847,587 5.061,588 5.09,589 3.498,590 4.499,591 5.007,592 4.22,593 2228.27,594 8.731,595 37454.8,600 421.488,601 1.28,602 4.986,603 0.171,604 0.007,605 0.064,606 0.039,607 0.03,608 0.018,609 0.019,610 0.011,611 0.007,612 0.008,613 0.375,614 0.33,615 0.75,616 1.531,617 182.664,618 0.043,619 -0.175,620 0.055,621 -0.073,622 -0.019,623 -0.02,624 -0.118,625 0.135,626 -0.014,627 0.065,628 0.005,629 0.045,630 -0.065,631 -0.051,632 -0.06,633 -0.072,634 0.083,635 -0.064,636 -0.022,637 0.006,638 -0.028,639 -0.005,640 0.014,641 -0.016,642 -0.012,643 -0.041,644 -0.014,645 -0.04,646 -0.058,647 -0.029,648 0.16,649 0.018,650 0.111,651 0.054,652 0.119,653 0.074,654 0.016,655 0.137,656 0.115,657 0.161,658 -0.004,659 0.147,660 -0.062,661 -0.1,662 -0.077,663 -0.099,664 -0.054,665 -0.09,666 1.632,667 5.877,668 0.545,669 52.727,670 0.984,671 1.123,672 4.688,673 21.977,674 0.65,675 3.584,676 3.829,677 4.025,678 4.174,679 4.331,680 4.317,681 4.443,682 4.511,683 4.511,684 4.635,685 9.704,686 0.6,687 444.67,688 3.584,689 5.081,690 5.889,691 6.718,692 7.537,693 8.372,694 9.198,695 10.036,696 10.867,697 11.708,698 2.9,701 2,715 13,720 5,722 18,727 1,739 1,741 69,743 19,744 3,745 35,747 71,748 29,749 18,750 5,751 13,752 1,756 3,757 3,763 2,770 1,772 19,773 10,777 1,782 1,786 1,793 36,794 4,796 4,802 2,808 1,809 2,829 3,855 2,859 3,864 3,868 33,876 7,878 1,881 2,893 2.9,896 1,898 1,901 17.167,902 13.067,903 7.639,904 4.464,907 3.065,908 1.409,909 0.951,910 9.833,911 10.563,912 3.829,913 4.324,914 4.822,915 5.29,916 5.787,917 5.847,918 6.154,919 6.385,920 6.626,921 7.017,922 1,923 46,924 12.236,926 4.918,927 0.026,929 7.53,931 24.003,933 18.96,936 2.03,937 67,941 423.76,942 190.013,943 6.249,945 36.145,948 190.013,949 459.904,950 6.249,951 26.047,952 17.655,953 123.191,954 30.278,955 35.234,957 423.76,959 423.76,960 196.261,961 36.145,964 329.591,965 130.314,968 41.554,969 154.707,972 423.76,973 42.393,974 190.013,977 423.76,978 40.775,979 155.487,981 36.145,982 423.76,983 42.393,984 190.013,986 0.56,987 0.323,988 0.162,989 0.08,990 17,991 8,992 0.183,993 13,995 1,996 4.642,997 268.582,999 18,1000 150.465,1005 24.855,1006 13.055,1007 7.94,1009 42.393,1010 25.853,1015 4.682,1018 656.166,1019 45,1024 12.877,1028 0.035,1031 67.879,1032 77.474,1034 0.215,1035 0.49,1036 0.695,1037 0.794,1038 0.829,1039 0.833,1040 5.021,1041 1.45,1042 5.826,1043 4.956,1044 4.511,1045 5.011,1046 1.702,1047 6.532,1048 4.461,1049 6.171,1050 1.387,1051 7.322,1052 3.054,1053 3.892,1054 4.527,1055 0.57,1056 7.231,1057 3.823,1058 7.428,1059 1,1060 8.913,1061 2.99,1062 6.009,1063 7.065,1064 1.388,1065 10.259,1066 5.923,1067 8.718,1068 1,1069 10.562,1070 2.281,1071 6.217,1072 7.397,1073 0.674,1074 11.782,1075 6.135,1076 10.039,1077 1,1078 12.249,1079 2.275,1080 7.751,1081 9.39,1082 1.19,1083 14.311,1084 7.657,1085 11.382,1086 0.922,1087 13.961,1088 2.275,1089 8.356,1090 10.122,1091 0.694,1092 16.202,1093 8.286,1094 12.742,1095 0.618,1096 15.694,1097 2.136,1098 9.631,1099 11.854,1100 1.049,1101 18.557,1102 9.556,1103 2.986,1104 0.533,1105 17.442,1106 1.097,1107 10.447,1108 12.814,1109 0.692,1110 20.632,1111 10.405,1112 2.689,1113 9.678,1114 19.202,1115 0.791,1116 11.601,1117 14.395,1118 0.944,1119 22.925,1120 11.564,1121 2.543,1122 7.674,1123 20.974,1124 3.94,1125 12.531,1126 15.497,1127 0.684,1128 25.095,1129 12.53,1130 2.449,1131 7.158,1132 22.756,1133 3.569,1134 13.63,1135 16.988,1136 0.865,1137 27.368,1138 13.643,1139 2.4,1140 6.905,1141 24.546,1142 3.454,1143 14.624,1144 18.18,1145 0.674,1146 29.585,1147 14.672,1148 2.064,1149 6.642,1150 26.344,1151 3.126,1152 15.701,1153 19.617,1154 0.806,1155 31.852,1156 15.77,1157 1.829,1158 5.997,1159 28.149,1160 2.609,1161 16.73,1162 20.868,1163 0.666,1164 34.095,1165 16.832,1166 17939,1167 25842,1168 23.345,1169 44.864,1170 50.314,1171 51.206,1172 51.838,1173 49.891,1174 49.838,1175 63.69,1176 6.027,1177 132.071,1178 48.589,1179 5.262,1180 5.582,1181 6.195,1182 5.056,1183 4.986,1184 6.94,1185 1.855,1186 16.431,1187 5.038,1188 16.173,1189 1.438,1190 1.463,1191 1.481,1192 1.425,1193 1.424,1194 1.82,1195 0.172,1196 3.773,1197 1.388,1198 4.02,1199 4.045,1200 3.965,1201 3.951,1202 7.427,1203 3.95,1204 3.911,1205 3.942,1206 3.84,1207 3.847,1208 4.843,1209 3.84,1210 3.846,1211 3.879,1212 3.777,1213 3.777,1214 4.76,1215 3.773,1216 3.756,1217 3.827,1218 3.617,1219 3.571,1220 4.688,1221 3.571,1222 3.521,1223 3.592,1224 3.404,1225 3.326,1226 4.354,1227 3.335,1228 3.454,1229 3.526,1230 3.282,1231 3.273,1232 4.243,1233 3.261,1234 3.306,1235 3.407,1236 3.11,1237 3.123,1238 4.18,1239 3.089,1240 3.202,1241 3.224,1242 3.04,1243 3.05,1244 3.892,1245 3.059,1246 0.124,1247 0.102,1248 0.183,1249 0.114,1250 0.085,1251 4.344,1252 0.113,1253 3.582,1254 0.028,1255 6.393,1256 0.277,1257 4.004,1258 0.087,1259 2.986,1260 3.94,1261 0.995,1262 9.678,1263 3.038,1264 1.974,1265 1.955,1266 2.077,1267 2.063,1268 1.263,1269 2.068,1270 1.912,1271 1.882,1272 2.035,1273 2.007,1274 1.235,1275 2.017,1276 1.841,1277 1.816,1278 1.983,1279 1.959,1280 1.141,1281 1.971,1282 1.723,1283 1.65,1284 1.946,1285 1.914,1286 1.063,1287 1.928,1288 1.485,1289 1.417,1290 1.772,1291 1.713,1292 1.011,1293 1.728,1294 1.457,1295 1.381,1296 1.725,1297 1.67,1298 0.869,1299 1.7,1300 1.351,1301 1.256,1302 1.723,1303 1.584,1304 0.844,1305 1.638,1306 1.151,1307 1.123,1308 1.379,1309 1.342,1310 0.544,1311 1.339,1312 4.263,1314 5.525,1316 6.978,1318 8.51,1320 10.081,1322 6.468,1328 6.591,1330 5.838,1333 4.657,1340 41.428,1341 90.489,1342 206.48,1343 292.853,1344 334.469,1345 349.224,1346 351.224,1347 64.993,1348 7.498,1349 32.78,1350 32.78,1351 18,1352 12.275,1353 4.322,1354 3.459,1355 64.878,1356 190,1357 185,1358 0.161,1359 259.075,1360 453.66,1361 623.904,1362 21279,1364 23.468,1365 0.711,1366 0.611,1367 23.468,1368 20.166,1369 16.084,1370 0.46,1371 0.34,1372 11.785,1373 15.654,1374 11.372,1375 9.555,1376 16.084,1377 11.9,1378 13.468,1379 0.299,1380 0.187,1381 13.468,1382 8.437,1383 11.096,1384 0.202,1385 0.107,1386 11.096,1387 5.862,1388 8.557,1389 0.134,1390 0.061,1391 8.557,1392 3.911,1393 6.376,1394 0.085,1395 0.032,1396 6.376,1397 2.394,1398 0.268,1399 99.299,1400 0.207,1401 32.085,1402 0.403,1403 160,1404 396.761,1405 169.477,1406 388.395,1407 530.55,1408 366,1409 180,1410 379.964,1411 190.311,1412 391.723,1413 563.87,1414 367,1415 7.602}
{0 CHEMBL1773483,1 1.31,2 17.471,3 5.993,4 35.918,5 141.278,6 6.524,7 0.486,8 4.302,9 4.429,10 3.762,11 3.867,12 5.269,13 3.811,14 4.872,15 5.068,16 4.054,17 4.252,18 5.757,19 4.166,20 5.149,21 5.38,22 4.091,23 4.4,24 6.009,25 4.268,26 5.233,27 5.509,28 3.976,29 4.351,30 6.061,31 4.192,32 5.095,33 5.35,34 3.911,35 4.303,36 5.921,37 4.145,38 5.107,39 5.38,40 3.849,41 4.257,42 5.901,43 4.084,44 4.965,45 5.235,46 3.791,47 4.123,48 5.783,49 3.976,50 4.765,51 4.981,52 3.778,53 4.048,54 5.698,55 3.933,56 0.065,57 0.943,58 16.182,59 7.006,60 9.225,61 9.691,62 0.236,63 1.582,64 29.664,65 11.224,66 21.772,67 15.976,68 0.282,69 1.956,70 39.272,71 15.41,72 39.195,73 21.763,74 0.44,75 2.019,76 43.464,77 16.206,78 55.187,79 23.165,80 0.26,81 1.801,82 37.139,83 14.958,84 39.523,85 21.158,86 0.368,87 1.768,88 37.817,89 15.168,90 45.166,91 21.509,92 0.323,93 1.537,94 33.029,95 12.788,96 37.958,97 18.081,98 0.218,99 1.309,100 26.787,101 10.628,102 31.325,103 14.666,104 5,105 48,106 0.206,107 0.466,108 0.652,109 0.766,110 0.812,111 0.816,112 3.559,113 1.012,114 -5.72,115 -5.58,116 -5.21,121 42.9,123 4,126 1,127 6,144 13,145 4,146 1,159 1,176 18,180 10,187 18,192 11,200 12,205 1,206 9,214 13,219 3,227 16,231 1,232 5,239 15,243 1,244 6,251 12,256 6,264 13,269 4,277 13,281 2512,282 23.413,283 23.413,284 23.413,285 23.413,286 23.413,287 21.186,288 25.555,289 14.398,290 23.741,291 18.31,292 18.31,293 18.31,294 18.31,295 18.31,296 15.003,297 32.713,298 6.927,299 18.817,300 4.819,301 3.157,302 1.97,303 1.243,304 0.954,305 0.925,306 4.26,312 1,313 1282,314 3.873,318 556.592,325 3.176,326 19.563,329 0.75,330 0.67,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.8,337 71,338 594,339 4.344,340 3.582,341 6.393,342 4.004,343 2.986,344 3.94,345 0.995,346 9.678,347 3.038,348 3.993,349 3.036,350 5.584,351 3.659,352 2.689,353 3.569,354 0.86,355 7.674,356 2.614,357 3.917,358 2.885,359 5.429,360 3.519,361 2.548,362 3.454,363 0.8,364 7.159,365 2.495,366 3.749,367 2.816,368 5.341,369 3.451,370 2.515,371 3.126,372 0.359,373 6.967,374 2.349,375 3.521,376 2.676,377 5.318,378 3.378,379 2.405,380 2.61,382 6.9,383 2.32,384 3.356,385 2.24,386 5.088,387 3.024,388 2.065,389 2.519,391 5.998,392 1.972,393 3.11,394 2.059,395 4.628,396 2.798,397 1.831,398 2.246,400 4.956,401 1.761,402 2.787,403 1.844,404 3.767,405 2.592,406 1.608,407 1.869,409 3.346,410 1.579,411 2.644,412 1.677,413 3.683,414 2.382,415 1.391,416 1.642,418 2.999,419 1.376,420 2.506,421 1.486,422 3.565,423 2.265,424 1.308,425 1.5,427 2.816,428 1.243,429 2.5,430 1.471,431 3.442,432 2,433 1,434 1.5,436 2.275,437 1,438 2.5,439 1.077,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.5,448 1,449 3.414,450 2,451 1,452 1.416,454 2.259,455 1,456 2.308,457 1,458 3.247,459 1.984,460 1,461 1.25,463 2.136,464 0.983,465 2,466 1,467 3.247,468 1.952,469 0.91,470 1,472 2.136,473 0.939,474 16.467,475 0.484,476 0.588,477 0.017,478 40.75,479 1.199,480 20,481 0.588,482 20.75,483 0.61,484 30.22,485 0.889,486 36.933,487 0.528,488 30.691,489 0.903,490 8.005,491 0.235,492 8.665,493 0.255,494 0.051,496 0.231,501 0.764,502 1.323,503 0.914,504 1.155,505 0.591,506 1.063,507 1.266,508 1.037,509 1.076,510 0.988,511 0.69,512 0.996,513 1.107,514 1.149,515 1.073,516 1.125,517 0.784,518 1.098,519 1.211,520 0.884,521 0.967,522 0.886,523 1.237,524 0.902,525 0.925,526 1.025,527 1.007,528 1.048,529 1.178,530 1.038,531 0.767,532 0.957,533 0.911,534 0.978,535 0.589,536 0.964,537 1.086,538 0.859,539 0.876,540 0.859,541 1.006,542 0.855,543 1.41,544 1.051,545 1.062,546 1.047,547 1.425,548 1.032,549 5.5,550 0.173,551 2.667,552 1.625,553 1.227,554 0.667,555 0.645,556 0.354,557 0.18,558 0.216,559 21693,560 42441,561 2.112,562 51.4,563 2,564 28,569 4,570 2,572 1.751,573 2.04,574 4.056,575 -0.875,582 91.726,583 1.31,584 2.972,585 4.16,586 4.886,587 5.176,588 5.204,589 3.514,590 4.146,591 5.052,592 4.266,593 2393.31,594 8.814,595 41337.4,600 429.05,601 1.086,602 5.047,603 0.149,604 0.006,605 0.056,606 0.035,607 0.03,608 0.017,609 0.018,610 0.01,611 0.005,612 0.007,613 0.332,614 0.33,615 0.75,616 0.39,617 190.242,618 0.042,619 -0.15,620 0.065,621 -0.053,622 0.017,623 -0.003,624 -0.128,625 0.095,626 -0.064,627 0.017,628 0.005,629 -0.006,630 -0.043,631 -0.124,632 -0.079,633 -0.123,634 0.091,635 -0.106,636 -0.012,637 0.082,638 0.037,639 0.071,640 0.046,641 0.061,642 -0.025,643 -0.045,644 -0.031,645 -0.049,646 -0.058,647 -0.041,648 0.149,649 -0.017,650 0.064,651 0.011,652 0.096,653 0.027,654 0.056,655 0.094,656 0.121,657 0.118,658 0.014,659 0.123,660 -0.093,661 -0.04,662 -0.051,663 -0.033,664 -0.071,665 -0.038,666 1.624,667 5.911,668 0.706,669 55.17,670 0.984,671 1.121,672 4.489,673 20.148,674 0.655,675 3.638,676 3.892,677 4.094,678 4.277,679 4.454,680 4.394,681 4.511,682 4.575,683 4.595,684 4.727,685 9.999,686 0.606,687 456.68,688 3.638,689 5.142,690 5.953,691 6.786,692 7.607,693 8.444,694 9.27,695 10.109,696 10.94,697 11.78,698 2.9,701 2,715 13,720 5,722 18,727 1,739 1,741 70,743 19,744 3,745 37,747 73,748 30,749 18,750 5,751 13,752 1,756 4,757 4,767 3,770 4,772 19,773 11,777 1,782 1,786 1,793 36,794 4,796 4,802 2,808 1,809 2,829 4,855 2,859 4,864 1,868 34,876 10,878 1,881 2,893 2.9,896 1,898 1,901 16.667,902 12.567,903 7.639,904 4.464,907 3.08,908 1.395,909 0.974,910 9.037,911 10.876,912 3.871,913 4.363,914 4.854,915 5.325,916 5.817,917 5.864,918 6.167,919 6.395,920 6.639,921 7.032,922 0.917,923 47,924 12.639,926 5.209,927 0.026,929 7.485,931 25.039,933 20.472,936 1.985,937 67.5,941 423.76,942 179.966,943 6.249,945 36.145,948 179.966,949 459.904,950 6.249,951 8.396,952 25.259,953 123.191,954 30.278,955 35.234,957 423.76,959 423.76,960 186.214,961 36.145,964 353.133,965 106.771,968 31.508,969 154.707,972 423.76,973 42.393,974 179.966,977 423.76,978 48.378,979 137.836,981 36.145,982 423.76,983 42.393,984 179.966,986 0.564,987 0.318,988 0.167,989 0.088,990 20,991 8,992 0.151,993 11,995 1,996 4.861,997 286.039,999 24,1000 156.974,1005 24.349,1006 12.619,1007 7.624,1009 42.393,1010 25.958,1015 4.723,1018 646.119,1019 47,1024 12.911,1028 0.042,1031 68.879,1032 78.474,1034 0.214,1035 0.485,1036 0.679,1037 0.797,1038 0.844,1039 0.849,1040 5.072,1041 1.608,1042 5.883,1043 4.956,1044 4.575,1045 5.05,1046 1.702,1047 6.583,1048 4.528,1049 6.212,1050 1.391,1051 7.368,1052 3.346,1053 3.892,1054 4.527,1055 0.57,1056 7.231,1057 3.823,1058 7.463,1059 1.308,1060 8.95,1061 2.999,1062 6.061,1063 7.083,1064 1.388,1065 10.292,1066 5.978,1067 8.745,1068 1,1069 10.591,1070 2.816,1071 6.217,1072 7.397,1073 0.674,1074 11.794,1075 6.135,1076 10.062,1077 1,1078 12.271,1079 2.275,1080 7.796,1081 9.399,1082 1.19,1083 14.335,1084 7.701,1085 11.401,1086 1,1087 13.98,1088 2.275,1089 8.366,1090 10.124,1091 0.694,1092 16.217,1093 8.293,1094 12.759,1095 1,1096 15.71,1097 2.259,1098 9.671,1099 11.858,1100 1.049,1101 18.575,1102 9.589,1103 2.986,1104 0.91,1105 17.456,1106 2.136,1107 10.464,1108 12.815,1109 0.692,1110 20.645,1111 10.415,1112 2.689,1113 9.678,1114 19.215,1115 2.136,1116 11.635,1117 14.397,1118 0.944,1119 22.937,1120 11.587,1121 2.548,1122 7.674,1123 20.986,1124 3.94,1125 12.552,1126 15.498,1127 0.684,1128 25.104,1129 12.541,1130 2.515,1131 7.159,1132 22.767,1133 3.569,1134 13.659,1135 16.989,1136 0.865,1137 27.375,1138 13.659,1139 2.405,1140 6.967,1141 24.556,1142 3.454,1143 14.644,1144 18.181,1145 0.674,1146 29.591,1147 14.681,1148 2.065,1149 6.9,1150 26.354,1151 3.126,1152 15.725,1153 19.617,1154 0.806,1155 31.857,1156 15.78,1157 1.831,1158 5.998,1159 28.158,1160 2.61,1161 16.749,1162 20.869,1163 0.666,1164 34.098,1165 16.839,1166 20370,1167 28693,1168 25.424,1169 45.864,1170 53.951,1171 54.803,1172 54.386,1173 53.53,1174 53.474,1175 67.33,1176 6.027,1177 141.367,1178 52.224,1179 5.344,1180 5.582,1181 6.195,1182 5.059,1183 4.986,1184 6.94,1185 1.855,1186 16.431,1187 5.038,1188 11.108,1189 1.458,1190 1.481,1191 1.47,1192 1.447,1193 1.445,1194 1.82,1195 0.163,1196 3.821,1197 1.411,1198 4.022,1199 4.049,1200 3.966,1201 3.951,1202 7.427,1203 3.951,1204 3.911,1205 3.942,1206 3.84,1207 3.847,1208 4.843,1209 3.841,1210 3.868,1211 3.93,1212 3.779,1213 3.778,1214 4.76,1215 3.774,1216 3.83,1217 3.862,1218 3.717,1219 3.699,1220 4.688,1221 3.693,1222 3.554,1223 3.616,1224 3.421,1225 3.39,1226 4.362,1227 3.381,1228 3.501,1229 3.577,1230 3.35,1231 3.315,1232 4.258,1233 3.319,1234 3.22,1235 3.246,1236 3.139,1237 3.057,1238 4.18,1239 3.07,1240 3.111,1241 3.206,1242 2.885,1243 2.941,1244 3.783,1245 2.91,1246 0.117,1247 0.097,1248 0.173,1249 0.108,1250 0.081,1251 4.344,1252 0.106,1253 3.582,1254 0.027,1255 6.393,1256 0.262,1257 4.004,1258 0.082,1259 2.986,1260 3.94,1261 0.995,1262 9.678,1263 3.038,1264 1.974,1265 1.955,1266 2.077,1267 2.063,1268 1.418,1269 2.069,1270 1.912,1271 1.883,1272 2.064,1273 2.03,1274 1.235,1275 2.045,1276 1.847,1277 1.817,1278 2.034,1279 2.001,1280 1.169,1281 2.013,1282 1.827,1283 1.767,1284 1.958,1285 1.929,1286 1.136,1287 1.94,1288 1.551,1289 1.489,1290 1.823,1291 1.748,1292 1.049,1293 1.774,1294 1.475,1295 1.401,1296 1.724,1297 1.696,1298 0.844,1299 1.712,1300 1.159,1301 1.131,1302 1.513,1303 1.377,1304 0.825,1305 1.429,1306 1.153,1307 1.064,1308 1.39,1309 1.376,1310 0.641,1311 1.377,1312 4.317,1314 5.587,1316 7.047,1318 8.584,1320 10.16,1322 2.114,1328 11.056,1330 5.89,1333 4.804,1340 42.428,1341 91.726,1342 208.042,1343 291.17,1344 342.03,1345 362.295,1346 364.295,1347 58.844,1348 7.796,1349 32.78,1350 32.78,1351 24,1352 12.347,1353 4.322,1354 3.459,1355 57.495,1356 202,1357 200,1358 0.132,1359 261.274,1360 458.6,1361 629.269,1362 32923,1364 23.589,1365 0.694,1366 0.597,1367 23.589,1368 20.288,1369 16.67,1370 0.451,1371 0.337,1372 12.37,1373 16.256,1374 12.036,1375 10.032,1376 16.67,1377 12.486,1378 14.29,1379 0.298,1380 0.194,1381 14.29,1382 9.313,1383 11.666,1384 0.198,1385 0.109,1386 11.666,1387 6.417,1388 9.336,1389 0.131,1390 0.064,1391 9.336,1392 4.555,1393 7.312,1394 0.086,1395 0.037,1396 7.312,1397 3.119,1398 0.221,1399 102.814,1400 0.198,1401 32.995,1402 0.33,1403 170,1404 406.761,1405 179.477,1406 398.415,1407 546.01,1408 376,1409 192,1410 391.964,1411 202.644,1412 404.195,1413 583.23,1414 379,1415 7.62}
{0 CHEMBL1773484,1 1.373,2 17.471,3 4.764,4 22.693,5 138.211,6 6.745,7 0.486,8 4.285,9 4.405,10 3.773,11 3.828,12 5.284,13 3.786,14 4.85,15 5.037,16 4.061,17 4.2,18 5.779,19 4.135,20 5.093,21 5.307,22 4.093,23 4.351,24 6.004,25 4.238,26 5.184,27 5.449,28 3.977,29 4.323,30 6.04,31 4.173,32 5.089,33 5.342,34 3.915,35 4.28,36 5.932,37 4.13,38 5.079,39 5.345,40 3.853,41 4.224,42 5.901,43 4.063,44 4.934,45 5.195,46 3.798,47 4.09,48 5.795,49 3.954,50 4.715,51 4.921,52 3.78,53 4.022,54 5.672,55 3.914,56 0.046,57 0.917,58 15.395,59 6.717,60 8.259,61 9.052,62 0.29,63 1.514,64 28.938,65 10.512,66 24.605,67 14.539,68 0.365,69 1.836,70 37.169,71 14.266,72 41.41,73 19.755,74 0.424,75 1.921,76 41.553,77 15.538,78 54.09,79 22.053,80 0.292,81 1.768,82 37.228,83 14.641,84 42.841,85 20.592,86 0.395,87 1.705,88 37.237,89 14.549,90 47.465,91 20.525,92 0.463,93 1.474,94 32.497,95 12.19,96 44.078,97 17.149,98 0.175,99 1.26,100 25.049,101 10.166,102 28.801,103 13.938,104 5,105 48,106 0.217,107 0.482,108 0.666,109 0.776,110 0.81,111 0.815,112 3.559,113 0.978,114 -4.74,115 -4.65,116 -4.37,121 42.6,123 1,126 1,127 8,144 13,145 4,146 1,159 1,176 16,180 8,187 17,191 1,192 10,200 12,205 1,206 9,214 11,219 4,227 15,231 1,232 3,239 15,243 2,244 5,251 12,256 6,264 9,269 6,277 7,281 2512,282 23.413,283 23.413,284 23.413,285 23.413,286 23.413,287 21.186,288 26.331,289 14.398,290 23.9,291 18.31,292 18.31,293 18.31,294 18.31,295 18.31,296 15.003,297 34.253,298 6.927,299 19.039,300 4.715,301 3.029,302 1.862,303 1.169,304 0.952,305 0.923,306 4.26,312 1,313 1282,314 3.873,318 556.592,325 3.176,326 22.891,329 1,330 0.67,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.83,337 72,338 594,339 4.344,340 3.582,341 6.393,342 4.004,343 2.986,344 3.94,345 0.995,346 9.678,347 3.038,348 3.993,349 3.036,350 5.584,351 3.659,352 2.689,353 3.569,354 0.86,355 7.674,356 2.614,357 3.917,358 2.903,359 5.429,360 3.519,361 2.548,362 3.454,363 0.86,364 7.159,365 2.495,366 3.749,367 2.853,368 5.341,369 3.439,370 2.515,371 3.126,372 0.8,373 6.967,374 2.336,375 3.521,376 2.676,377 5.318,378 3.377,379 2.405,380 2.61,381 0.359,382 6.9,383 2.299,384 3.356,385 2.241,386 5.088,387 3.023,388 2.065,389 2.519,391 5.998,392 1.971,393 3.11,394 2.177,395 4.628,396 2.797,397 1.831,398 2.246,400 4.956,401 1.76,402 2.787,403 2.049,404 3.767,405 2.531,406 1.608,407 1.869,409 3.346,410 1.481,411 2.644,412 1.842,413 3.683,414 2.381,415 1.391,416 1.642,418 2.999,419 1.374,420 2.506,421 1.592,422 3.565,423 2.201,424 1.308,425 1.5,427 2.816,428 1.153,429 2.5,430 1.486,431 3.442,432 2,433 1,434 1.5,436 2.275,437 1,438 2.5,439 1.256,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.5,448 1,449 3.414,450 2,451 1,452 1.416,454 2.259,455 1,456 2.308,457 1,458 3.247,459 1.952,460 1,461 1.25,463 2.136,464 0.946,465 2,466 1,467 3.247,468 1.948,469 0.91,470 1,472 2.136,473 0.934,474 16.3,475 0.479,476 0.588,477 0.017,478 41.25,479 1.213,480 20,481 0.588,482 21.25,483 0.625,484 28.94,485 0.851,486 37.1,487 0.546,488 31.971,489 0.94,490 8.503,491 0.25,492 8.167,493 0.24,494 0.051,496 0.233,501 0.789,502 1.36,503 0.871,504 1.183,505 0.619,506 1.057,507 1.418,508 0.987,509 1.084,510 0.928,511 0.812,512 0.945,513 1.13,514 1.118,515 1.114,516 1.11,517 0.862,518 1.11,519 0.957,520 0.939,521 0.967,522 0.947,523 1.187,524 0.956,525 0.862,526 1.002,527 0.99,528 1.028,529 1.139,530 1.025,531 0.758,532 0.956,533 0.917,534 0.981,535 0.614,536 0.974,537 0.932,538 0.827,539 0.883,540 0.831,541 0.984,542 0.852,543 0.99,544 1.124,545 1.031,546 1.125,547 1.304,548 1.091,549 5.5,550 0.173,551 2.667,552 1.625,553 1.227,554 0.667,555 0.645,556 0.354,557 0.18,558 0.216,559 21693,560 47613,561 2.112,562 50,564 32,570 2,572 1.751,573 2.04,574 4.056,575 -0.846,582 93.337,583 1.373,584 3.059,585 4.225,586 4.918,587 5.135,588 5.165,589 3.514,590 4.146,591 5.052,592 4.266,593 2393.31,594 8.814,595 41337.4,600 413.947,601 1.086,602 5.047,603 0.149,604 0.006,605 0.056,606 0.035,607 0.03,608 0.017,609 0.018,610 0.01,611 0.005,612 0.007,613 0.332,614 0.33,615 0.88,616 0.39,617 190.242,618 0.026,619 -0.186,620 0.07,621 -0.084,622 -0.002,623 -0.016,624 -0.184,625 0.141,626 -0.077,627 0.065,628 -0.052,629 0.022,630 -0.059,631 -0.083,632 -0.128,633 -0.107,634 0.043,635 -0.123,636 -0.006,637 0.03,638 0.019,639 0.026,640 0.033,641 0.025,642 -0.034,643 -0.028,644 -0.023,645 -0.03,646 -0.071,647 -0.025,648 0.098,649 -0.017,650 0.055,651 0.011,652 0.071,653 0.025,654 0.12,655 0.126,656 0.112,657 0.147,658 0.023,659 0.13,660 -0.051,661 -0.097,662 -0.064,663 -0.094,664 -0.066,665 -0.082,666 1.636,667 5.901,668 0.706,669 55.17,670 0.99,671 1.122,672 3.508,673 12.308,674 0.655,675 3.638,676 3.892,677 4.094,678 4.277,679 4.454,680 4.394,681 4.511,682 4.575,683 4.595,684 4.727,685 9.999,686 0.612,687 458.65,688 3.638,689 5.142,690 5.953,691 6.786,692 7.607,693 8.444,694 9.27,695 10.109,696 10.94,697 11.78,698 2.9,701 2,715 13,720 5,722 18,727 1,739 1,741 68,743 19,744 3,745 37,747 71,748 29,749 18,750 5,751 13,752 1,756 4,757 4,770 1,772 19,773 10,777 1,782 1,786 1,793 34,794 5,796 5,802 2,808 1,809 3,829 4,855 2,858 1,859 4,864 1,868 34,876 9,878 2,881 2,893 4.4,896 1,897 1,898 1,901 16.667,902 12.233,903 7.639,904 4.131,907 3.08,908 1.395,909 0.969,910 9.003,911 10.876,912 3.871,913 4.363,914 4.854,915 5.325,916 5.817,917 5.864,918 6.167,919 6.395,920 6.639,921 7.032,922 0.917,923 47,924 12.619,926 5.193,927 0.026,929 7.544,931 24.757,933 20.012,936 2.044,937 69.5,941 400.217,942 181.547,943 6.249,945 47.145,948 181.547,949 447.362,950 6.249,951 8.396,952 26.84,953 123.191,954 41.278,955 35.234,957 400.217,959 400.217,960 187.796,961 47.145,964 376.675,965 59.687,966 11,968 33.089,969 154.707,972 400.217,973 53.393,974 181.547,977 400.217,978 49.959,979 137.836,981 47.145,982 400.217,983 53.393,984 181.547,986 0.564,987 0.318,988 0.167,989 0.088,990 20,991 8,992 0.155,993 11,995 1,996 4.861,997 286.039,999 24,1000 156.974,1005 24.311,1006 12.59,1007 7.603,1009 53.393,1010 25.833,1015 4.663,1018 635.158,1019 47,1024 12.901,1028 0.031,1031 67.323,1032 76.268,1034 0.225,1035 0.502,1036 0.694,1037 0.808,1038 0.844,1039 0.848,1040 5.072,1041 1.608,1042 5.883,1043 4.956,1044 4.575,1045 5.05,1046 1.941,1047 6.583,1048 4.512,1049 6.212,1050 1.391,1051 7.368,1052 3.346,1053 3.892,1054 4.527,1055 0.57,1056 7.231,1057 3.823,1058 7.463,1059 1.308,1060 8.95,1061 2.999,1062 6.061,1063 7.083,1064 1.63,1065 10.292,1066 5.958,1067 8.745,1068 1,1069 10.591,1070 2.816,1071 6.217,1072 7.397,1073 0.674,1074 11.794,1075 6.135,1076 10.062,1077 1,1078 12.271,1079 2.275,1080 7.796,1081 9.399,1082 1.41,1083 14.335,1084 7.682,1085 11.401,1086 1,1087 13.98,1088 2.275,1089 8.366,1090 10.124,1091 0.694,1092 16.217,1093 8.291,1094 12.759,1095 1,1096 15.71,1097 2.259,1098 9.671,1099 11.858,1100 1.239,1101 18.575,1102 9.574,1103 2.986,1104 0.91,1105 17.456,1106 2.136,1107 10.464,1108 12.815,1109 0.692,1110 20.645,1111 10.412,1112 2.689,1113 9.678,1114 19.215,1115 2.136,1116 11.635,1117 14.397,1118 1.103,1119 22.937,1120 11.577,1121 2.548,1122 7.674,1123 20.986,1124 3.94,1125 12.552,1126 15.498,1127 0.684,1128 25.104,1129 12.537,1130 2.515,1131 7.159,1132 22.767,1133 3.569,1134 13.659,1135 16.989,1136 0.994,1137 27.375,1138 13.652,1139 2.405,1140 6.967,1141 24.556,1142 3.454,1143 14.644,1144 18.181,1145 0.674,1146 29.591,1147 14.677,1148 2.065,1149 6.9,1150 26.354,1151 3.126,1152 15.725,1153 19.617,1154 0.909,1155 31.857,1156 15.776,1157 1.831,1158 5.998,1159 28.158,1160 2.61,1161 16.749,1162 20.869,1163 0.666,1164 34.098,1165 16.836,1166 20370,1167 30317,1168 25.424,1169 44.557,1170 53.951,1171 55.002,1172 54.386,1173 53.525,1174 53.474,1175 67.33,1176 7.747,1177 141.367,1178 51.681,1179 5.344,1180 5.582,1181 6.195,1182 5.107,1183 4.986,1184 6.94,1185 1.855,1186 16.431,1187 5.038,1188 11.108,1189 1.458,1190 1.487,1191 1.47,1192 1.447,1193 1.445,1194 1.82,1195 0.209,1196 3.821,1197 1.397,1198 4.021,1199 4.046,1200 3.965,1201 3.951,1202 7.427,1203 3.951,1204 3.911,1205 3.942,1206 3.84,1207 3.847,1208 4.844,1209 3.84,1210 3.851,1211 3.893,1212 3.778,1213 3.777,1214 4.76,1215 3.773,1216 3.805,1217 3.852,1218 3.689,1219 3.606,1220 4.688,1221 3.617,1222 3.534,1223 3.597,1224 3.415,1225 3.339,1226 4.624,1227 3.346,1228 3.489,1229 3.556,1230 3.333,1231 3.301,1232 4.308,1233 3.299,1234 3.21,1235 3.229,1236 3.13,1237 3.052,1238 4.181,1239 3.064,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.96,1245 2.91,1246 0.117,1247 0.097,1248 0.173,1249 0.108,1250 0.081,1251 4.344,1252 0.106,1253 3.582,1254 0.027,1255 6.393,1256 0.262,1257 4.004,1258 0.082,1259 2.986,1260 3.94,1261 0.995,1262 9.678,1263 3.038,1264 1.974,1265 1.955,1266 2.077,1267 2.063,1268 1.291,1269 2.068,1270 1.912,1271 1.882,1272 2.035,1273 2.011,1274 1.235,1275 2.018,1276 1.841,1277 1.816,1278 1.985,1279 1.988,1280 1.142,1281 1.991,1282 1.751,1283 1.688,1284 1.947,1285 1.925,1286 1.085,1287 1.935,1288 1.5,1289 1.442,1290 1.771,1291 1.727,1292 1.037,1293 1.741,1294 1.469,1295 1.396,1296 1.723,1297 1.689,1298 0.844,1299 1.708,1300 1.153,1301 1.126,1302 1.513,1303 1.376,1304 0.825,1305 1.429,1306 1.152,1307 1.064,1308 1.379,1309 1.35,1310 0.544,1311 1.342,1312 4.317,1314 5.587,1316 7.047,1318 8.584,1320 10.16,1322 2.109,1328 8.055,1330 11.235,1333 4.674,1340 41.616,1341 93.337,1342 207.988,1343 287.312,1344 334.438,1345 349.193,1346 351.193,1347 58.508,1348 7.796,1349 42.01,1350 42.01,1351 24,1352 12.347,1353 4.322,1354 3.459,1355 57.495,1356 202,1357 200,1358 0.132,1359 255.678,1360 450.09,1361 615.615,1362 32923,1364 23.589,1365 0.694,1366 0.588,1367 23.589,1368 19.989,1369 16.67,1370 0.451,1371 0.326,1372 11.909,1373 16.111,1374 11.596,1375 9.613,1376 16.67,1377 12.063,1378 14.29,1379 0.298,1380 0.185,1381 14.29,1382 8.864,1383 11.666,1384 0.198,1385 0.103,1386 11.666,1387 6.072,1388 9.336,1389 0.131,1390 0.059,1391 9.336,1392 4.196,1393 7.312,1394 0.086,1395 0.033,1396 7.312,1397 2.785,1398 0.221,1399 103.814,1400 0.198,1401 32.995,1402 0.33,1403 170,1404 450.497,1405 182.355,1406 431.401,1407 585.37,1408 408,1409 192,1410 411.601,1411 205.412,1412 421.817,1413 609.71,1414 395,1415 6.971}
{0 CHEMBL1773485,1 1.412,2 21.636,3 5.765,4 33.241,5 175.929,6 7.01,7 0.49,8 4.51,9 4.632,10 4.035,11 4.074,12 5.534,13 4.037,14 5.073,15 5.253,16 4.38,17 4.479,18 6.046,19 4.418,20 5.36,21 5.574,22 4.438,23 4.641,24 6.287,25 4.543,26 5.475,27 5.728,28 4.372,29 4.643,30 6.378,31 4.518,32 5.422,33 5.662,34 4.298,35 4.615,36 6.346,37 4.481,38 5.416,39 5.682,40 4.171,41 4.548,42 6.266,43 4.386,44 5.261,45 5.536,46 4.07,47 4.405,48 6.056,49 4.254,50 5.077,51 5.307,52 4.044,53 4.309,54 5.994,55 4.192,56 0.054,57 1.184,58 18.212,59 7.925,60 10.995,61 10.719,62 0.381,63 1.999,64 34.475,65 13.025,66 31.689,67 18.125,68 0.359,69 2.502,70 47.43,71 18.036,72 50.478,73 25.107,74 0.595,75 2.683,76 55.483,77 20.178,78 74.046,79 28.429,80 0.451,81 2.528,82 51.899,83 19.789,84 75.436,85 27.496,86 0.644,87 2.463,88 52.785,89 19.921,90 80.359,91 28.154,92 0.422,93 2.116,94 45.141,95 17.081,96 52.121,97 24.365,98 0.373,99 1.805,100 36.482,101 13.905,102 46.817,103 19.234,104 10,105 67,106 0.211,107 0.496,108 0.672,109 0.785,110 0.837,111 0.844,112 3.809,113 0.951,114 -5.48,115 -5.36,116 -5,121 44,123 3,126 1,127 6,129 1,144 17,145 4,146 3,159 1,161 1,176 19,179 1,180 13,183 2,185 1,187 20,192 12,197 2,200 13,205 2,206 14,211 3,214 15,219 5,227 19,231 2,232 7,235 1,239 17,243 1,244 7,251 12,255 1,256 8,261 1,264 14,269 4,277 13,281 4804,282 30.291,283 30.291,284 30.291,285 30.291,286 30.291,287 27.207,288 39.019,289 18.138,290 30.752,291 24.226,292 24.226,293 24.226,294 24.226,295 24.226,296 19.609,297 59.391,298 8.672,299 24.955,300 4.981,301 3.078,302 1.9,303 1.141,304 0.795,305 0.747,306 4.524,313 2114,314 4.183,317 130.3,318 873.846,321 241.264,325 3.698,326 31.866,329 0.5,330 0.5,331 0.67,332 0.7,333 0.5,334 0.67,335 0.5,336 0.58,337 93,338 952,339 4.47,340 3.819,341 6.908,342 4.203,343 3.254,344 3.967,345 1.701,346 11.591,347 3.084,348 4.344,349 3.582,350 6.393,351 4.004,352 2.986,353 3.94,354 0.995,355 9.678,356 3.038,357 3.993,358 3.036,359 5.794,360 3.659,361 2.689,362 3.569,363 0.86,364 7.867,365 2.614,366 3.917,367 2.922,368 5.584,369 3.559,370 2.608,371 3.454,372 0.8,373 7.674,374 2.496,375 3.749,376 2.869,377 5.428,378 3.516,379 2.539,380 3.126,381 0.563,382 7.158,383 2.484,384 3.72,385 2.791,386 5.346,387 3.382,388 2.408,389 2.93,390 0.359,391 6.911,392 2.33,393 3.487,394 2.676,395 5.319,396 3.242,397 2.292,398 2.61,399 0.075,400 6.874,401 2.17,402 3.356,403 2.472,404 5.088,405 3.023,406 2.064,407 2.553,409 5.998,410 1.972,411 3.164,412 2.24,413 4.963,414 2.905,415 1.911,416 2.247,418 5.424,419 1.88,420 3.11,421 2.057,422 4.628,423 2.795,424 1.828,425 2.228,427 4.956,428 1.758,429 2.84,430 1.843,431 4.607,432 2.524,433 1.557,434 1.97,436 4.486,437 1.502,438 2.818,439 1.697,440 3.749,441 2.385,442 1.405,443 1.894,445 3.069,446 1.378,447 2.786,448 1.584,449 3.612,450 2.356,451 1.38,452 1.868,454 2.992,455 1.352,456 2.558,457 1.486,458 3.586,459 2.347,460 1.354,461 1.517,463 2.933,464 1.325,465 2.5,466 1.479,467 3.556,468 2,469 1,470 1.5,472 2.29,473 1,474 21.1,475 0.48,476 0.9,477 0.02,478 56.75,479 1.29,480 28.5,481 0.648,482 28.25,483 0.642,484 40.536,485 0.921,486 46.7,487 0.556,488 46.326,489 1.053,490 11.228,491 0.255,492 10.302,493 0.234,494 0.055,496 0.294,501 0.75,502 1.328,503 0.831,504 1.1,505 0.554,506 0.991,507 0.978,508 1.06,509 0.985,510 0.974,511 0.586,512 0.967,513 1.088,514 1.146,515 1.053,516 1.099,517 0.803,518 1.071,519 1.126,520 0.928,521 1.007,522 0.945,523 1.067,524 0.957,525 1.142,526 1.047,527 1.087,528 1.077,529 1.414,530 1.079,531 0.904,532 0.937,533 1.013,534 0.99,535 0.915,536 1.015,537 0.826,538 0.893,539 0.882,540 0.903,541 0.663,542 0.902,543 1.145,544 0.99,545 1.059,546 1.024,547 1.117,548 1.032,549 7.5,550 0.23,551 4.222,552 3.104,553 2.045,554 1.039,555 0.911,556 0.537,557 0.265,558 0.287,559 48044,560 107676,561 2.15,562 47.6,564 33,567 1,570 6,572 1.812,573 2.063,574 4.32,575 -0.468,582 118.573,583 1.412,584 3.314,585 4.492,586 5.251,587 5.598,588 5.645,589 3.833,590 5.033,591 5.431,592 4.583,593 4335.91,594 9.552,595 93968.4,600 536.955,601 1.199,602 5.413,603 0.153,604 0.006,605 0.063,606 0.046,607 0.033,608 0.018,609 0.019,610 0.012,611 0.006,612 0.007,613 0.362,614 0.17,615 0.5,616 0.388,617 267.661,618 0.008,619 -0.166,620 0.068,621 -0.049,622 -0.008,623 0.004,624 0.027,625 0.076,626 -0.027,627 0.013,628 0.044,629 -0.008,630 -0.076,631 -0.106,632 -0.077,633 -0.108,634 0.027,635 -0.093,636 -0.034,637 0.059,638 -0.001,639 0.026,640 0.017,641 0.019,642 -0.092,643 -0.075,644 -0.096,645 -0.085,646 -0.11,647 -0.09,648 0.071,649 0.003,650 -0.015,651 -0.004,652 -0.02,653 -0.019,654 0.043,655 0.045,656 0.112,657 0.084,658 0.016,659 0.102,660 -0.051,662 -0.068,663 -0.03,664 -0.081,665 -0.048,666 1.679,667 6.072,668 0.75,669 79.888,670 0.992,671 1.12,672 4.251,673 18.072,674 0.668,675 3.912,676 4.22,677 4.489,678 4.745,679 4.949,680 4.963,681 5.112,682 5.198,683 5.182,684 5.288,685 12.502,686 0.628,687 588.81,688 3.912,689 5.451,690 6.297,691 7.165,692 8.024,693 8.897,694 9.763,695 10.64,696 11.511,697 12.39,698 4.8,701 2,705 2,715 17,720 7,722 24,727 1,739 1,741 84,743 26,744 4,745 49,747 89,748 37,749 24,750 7,751 17,752 1,756 6,757 7,761 1,767 3,770 4,772 26,773 11,777 2,782 2,786 2,793 40,794 7,795 1,796 7,802 4,808 0.833,809 3,828 1,829 5,832 1,855 2,859 5,864 1,868 44,876 9,877 1,878 1,880 1,881 3,893 3.6,896 2,898 1,901 21.333,902 15.1,903 9.667,904 5.193,907 4.213,908 1.46,909 0.998,910 9.718,911 13.362,912 4.159,913 4.691,914 5.209,915 5.721,916 6.208,917 6.269,918 6.575,919 6.811,920 6.93,921 7.261,922 1,923 68,924 16.356,926 6.965,927 0.026,929 7.587,931 31.958,933 26.729,936 2.087,937 91.833,941 459.073,942 225.126,943 27.384,945 61.29,948 225.126,949 520.363,950 27.384,951 8.396,952 43.86,953 161.096,954 55.423,955 40.748,956 4.276,957 459.073,959 459.073,960 252.509,961 61.29,964 388.446,965 131.916,968 50.108,969 202.401,972 459.073,973 88.673,974 225.126,977 459.073,978 55.633,979 178.866,980 18.011,981 61.29,982 459.073,983 88.673,984 225.126,986 0.576,987 0.336,988 0.184,989 0.099,990 31,991 13,992 0.135,993 12,994 1,995 1.061,996 5.705,997 425.409,998 0.061,999 33,1000 224.215,1005 30.082,1006 14.215,1007 7.588,1009 88.673,1010 33.702,1015 6.478,1017 18.011,1018 772.872,1019 63,1024 25.616,1028 0.001,1031 83.294,1032 94.095,1034 0.221,1035 0.518,1036 0.703,1037 0.821,1038 0.876,1039 0.883,1040 5.394,1041 2.064,1042 6.26,1043 6.874,1044 4.905,1045 5.38,1046 2.391,1047 7.04,1048 4.851,1049 6.56,1050 1.911,1051 7.794,1052 5.998,1053 4.369,1054 4.966,1055 1.494,1056 7.874,1057 4.279,1058 7.836,1059 1.828,1060 9.43,1061 5.424,1062 6.466,1063 7.444,1064 2.729,1065 10.986,1066 6.354,1067 9.143,1068 1.557,1069 11.127,1070 4.956,1071 6.781,1072 7.847,1073 2.551,1074 12.722,1075 6.635,1076 10.484,1077 1.405,1078 12.867,1079 4.486,1080 8.309,1081 9.79,1082 3.462,1083 15.352,1084 8.143,1085 11.849,1086 1.38,1087 14.638,1088 3.069,1089 9.038,1090 10.596,1091 3.634,1092 17.486,1093 8.838,1094 13.233,1095 1.354,1096 16.434,1097 2.992,1098 10.327,1099 12.287,1100 4.381,1101 19.968,1102 10.106,1103 3.254,1104 1,1105 18.248,1106 2.933,1107 11.267,1108 13.317,1109 4.726,1110 22.278,1111 11.01,1112 2.986,1113 11.591,1114 20.08,1115 2.29,1116 12.459,1117 14.871,1118 5.379,1119 24.72,1120 12.176,1121 2.689,1122 9.678,1123 21.925,1124 3.967,1125 13.505,1126 16.031,1127 5.811,1128 27.104,1129 13.185,1130 2.608,1131 7.867,1132 23.781,1133 3.94,1134 14.662,1135 17.506,1136 6.411,1137 29.539,1138 14.311,1139 2.539,1140 7.674,1141 25.648,1142 3.569,1143 15.762,1144 18.747,1145 6.888,1146 31.956,1147 15.372,1148 2.408,1149 7.158,1150 27.524,1151 3.454,1152 16.911,1153 20.176,1154 7.458,1155 34.392,1156 16.485,1157 2.292,1158 6.911,1159 29.407,1160 3.126,1161 18.039,1162 21.466,1163 7.96,1164 36.823,1165 17.572,1166 43765,1167 65719,1168 33.69,1169 56.091,1170 73.201,1171 74.881,1172 74.196,1173 72.607,1174 72.573,1175 91.828,1176 10.707,1177 203.105,1178 70.68,1179 5.47,1180 5.819,1181 6.71,1182 5.275,1183 5.254,1184 6.967,1185 2.972,1186 18.737,1187 5.084,1188 16.678,1189 1.494,1190 1.528,1191 1.514,1192 1.482,1193 1.481,1194 1.874,1195 0.219,1196 4.145,1197 1.442,1198 4.05,1199 4.089,1200 3.993,1201 3.961,1202 7.431,1203 3.962,1204 3.988,1205 4.018,1206 3.94,1207 3.888,1208 7.426,1209 3.896,1210 3.911,1211 3.942,1212 3.84,1213 3.845,1214 4.847,1215 3.839,1216 3.848,1217 3.888,1218 3.777,1219 3.777,1220 4.774,1221 3.773,1222 3.81,1223 3.856,1224 3.699,1225 3.676,1226 4.751,1227 3.673,1228 3.561,1229 3.62,1230 3.434,1231 3.398,1232 4.687,1233 3.393,1234 3.505,1235 3.579,1236 3.378,1237 3.316,1238 4.36,1239 3.322,1240 3.365,1241 3.411,1242 3.278,1243 3.123,1244 4.261,1245 3.159,1246 0.091,1247 0.078,1248 0.141,1249 0.086,1250 0.066,1251 4.47,1252 0.081,1253 3.819,1254 0.035,1255 6.908,1256 0.237,1257 4.203,1258 0.063,1259 3.254,1260 3.967,1261 1.701,1262 11.591,1263 3.084,1264 1.974,1265 1.955,1266 2.077,1267 2.064,1268 1.428,1269 2.07,1270 1.912,1271 1.883,1272 2.059,1273 2.049,1274 1.235,1275 2.056,1276 1.895,1277 1.858,1278 2.034,1279 2.003,1280 1.175,1281 2.014,1282 1.841,1283 1.816,1284 1.968,1285 1.944,1286 1.137,1287 1.954,1288 1.808,1289 1.755,1290 1.954,1291 1.925,1292 1.061,1293 1.936,1294 1.558,1295 1.497,1296 1.816,1297 1.761,1298 1.046,1299 1.777,1300 1.475,1301 1.402,1302 1.723,1303 1.699,1304 0.844,1305 1.713,1306 1.253,1307 1.205,1308 1.513,1309 1.572,1310 0.825,1311 1.522,1312 4.595,1314 5.905,1315 2.398,1316 7.407,1317 4.844,1318 8.991,1319 7.034,1320 10.619,1322 2.106,1328 8.075,1329 2.982,1330 5.985,1332 0.233,1333 6.656,1340 52.712,1341 118.573,1342 278.364,1343 377.329,1344 441.08,1345 470.2,1346 474.2,1347 79.219,1348 9.149,1349 70.57,1350 70.57,1351 35,1352 12.929,1353 4.755,1354 3.907,1355 66.984,1356 338,1357 306,1358 0.092,1359 319.509,1360 564.31,1361 771.362,1362 189275,1364 30.305,1365 0.689,1366 0.576,1367 30.305,1368 25.323,1369 21.53,1370 0.439,1371 0.317,1372 15.37,1373 20.901,1374 15.006,1375 12.422,1376 21.53,1377 15.539,1378 19.065,1379 0.285,1380 0.176,1381 19.065,1382 11.8,1383 16.17,1384 0.184,1385 0.097,1386 16.17,1387 8.514,1388 13.629,1389 0.12,1390 0.054,1391 13.629,1392 6.209,1393 10.951,1394 0.078,1395 0.031,1396 10.951,1397 4.346,1398 0.156,1399 133.461,1400 0.172,1401 40.689,1402 0.225,1403 232,1404 590.475,1405 248.992,1406 575.695,1407 794.25,1408 542,1409 271,1410 583.727,1411 289.327,1412 595.844,1413 871.12,1414 561,1415 7.167}
{0 CHEMBL1773486,1 1.289,2 18.286,3 6.81,4 46.373,5 147.877,6 6.303,7 0.486,8 4.352,9 4.485,10 3.77,11 3.899,12 5.321,13 3.834,14 4.912,15 5.121,16 4.04,17 4.259,18 5.788,19 4.164,20 5.165,21 5.402,22 4.103,23 4.411,24 6.025,25 4.28,26 5.273,27 5.539,28 4.026,29 4.418,30 6.108,31 4.257,32 5.248,33 5.523,34 3.948,35 4.403,36 6.034,37 4.225,38 5.217,39 5.507,40 3.876,41 4.354,42 5.966,43 4.159,44 5.077,45 5.357,46 3.815,47 4.226,48 5.849,49 4.05,50 4.947,51 5.202,52 3.789,53 4.092,54 5.821,55 3.955,56 0.076,57 1.001,58 17.68,59 7.525,60 11.186,61 10.554,62 0.25,63 1.627,64 31.409,65 11.717,66 24.861,67 16.966,68 0.302,69 1.973,70 40.189,71 15.499,72 41.039,73 22.152,74 0.371,75 2.092,76 44.692,77 16.987,78 55.021,79 24.337,80 0.328,81 2.045,82 43.218,83 17.002,84 47.677,85 24.406,86 0.425,87 1.95,88 41.633,89 16.897,90 48.167,91 24.294,92 0.28,93 1.696,94 36.229,95 14.718,96 36.856,97 20.967,98 0.284,99 1.476,100 32.474,101 12.299,102 40.48,103 17.25,104 28,105 47,106 0.2,107 0.462,108 0.673,109 0.778,110 0.809,111 0.813,112 3.587,113 1.046,114 -6.3,115 -6.14,116 -5.7,121 41.3,122 2,123 3,126 1,127 6,144 13,145 4,146 1,159 1,176 18,180 10,187 18,192 12,200 12,206 11,214 14,219 3,227 19,231 2,232 1,239 21,243 1,244 3,251 15,256 9,264 10,269 7,277 8,281 2823,282 23.999,283 23.999,284 23.999,285 23.999,286 23.999,287 21.772,288 25.555,289 14.707,290 24.398,291 18.149,292 18.149,293 18.149,294 18.149,295 18.149,296 14.841,297 31.008,298 6.885,299 18.683,300 4.939,301 3.255,302 1.895,303 1.214,304 1.017,305 0.99,306 4.273,312 1,313 1331,314 4.637,318 437.588,325 3.38,326 20.202,329 0.75,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.71,337 73,338 640,339 4.344,340 3.582,341 6.393,342 4.004,343 2.986,344 3.94,345 0.995,346 9.678,347 3.038,348 3.993,349 3.036,350 5.584,351 3.659,352 2.689,353 3.569,354 0.86,355 7.674,356 2.614,357 3.917,358 2.873,359 5.428,360 3.517,361 2.541,362 3.454,363 0.8,364 7.157,365 2.495,366 3.749,367 2.781,368 5.32,369 3.384,370 2.447,371 3.126,372 0.359,373 6.904,374 2.33,375 3.446,376 2.676,377 5.271,378 3.364,379 2.407,380 2.609,382 6.644,383 2.25,384 3.357,385 2.241,386 5.088,387 3.026,388 2.067,389 2.446,391 5.998,392 1.975,393 3.111,394 2.068,395 4.628,396 2.805,397 1.838,398 2.247,400 4.956,401 1.767,402 2.79,403 1.85,404 3.806,405 2.684,406 1.698,407 1.87,409 3.503,410 1.671,411 2.738,412 1.744,413 3.694,414 2.381,415 1.39,416 1.743,418 2.998,419 1.375,420 2.505,421 1.486,422 3.564,423 2.109,424 1.147,425 1.5,427 2.499,428 1.093,429 2.5,430 1.334,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.5,439 1,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.5,448 1,449 3.277,450 2,451 1,452 1.381,454 2.136,455 1,456 2.141,457 1,458 3.247,459 1.923,460 0.885,461 1.105,463 2.1,464 0.91,465 1.618,466 0.744,467 2.881,468 1.591,469 0.618,470 0.618,472 0.863,473 0.6,474 16.967,475 0.485,476 0.588,477 0.017,478 40.75,479 1.164,480 20,481 0.571,482 20.75,483 0.593,484 32.96,485 0.942,486 38.833,487 0.518,488 31.232,489 0.892,490 8.048,491 0.23,492 9.036,493 0.258,494 0.108,496 0.224,501 0.779,502 1.374,503 0.968,504 1.211,505 0.642,506 1.12,507 1.279,508 1.035,509 1.063,510 0.982,511 0.703,512 0.986,513 1.176,514 1.086,515 1.049,516 1.066,517 0.809,518 1.046,519 1.248,520 1.002,521 1.021,522 0.99,523 1.272,524 0.988,525 0.986,526 0.959,527 0.999,528 0.981,529 1.125,530 0.99,531 0.505,532 0.886,533 0.878,534 0.939,535 0.505,536 0.941,537 0.684,538 0.961,539 0.863,540 0.987,541 0.866,542 0.952,543 1.542,544 1.012,545 0.975,546 0.982,547 1.315,548 0.946,549 6,550 0.169,551 2.889,552 1.813,553 1.236,554 0.743,555 0.625,556 0.311,557 0.263,558 0.259,559 22319,560 43723,561 2.027,562 53.3,563 2,564 28,569 10,572 1.758,573 1.927,574 4.117,575 -0.879,582 96.704,583 1.289,584 2.974,585 4.334,586 5.015,587 5.212,588 5.239,589 3.628,590 4.672,591 5.091,592 4.349,593 2587.9,594 8.895,595 46645.4,600 467.161,601 1.242,602 5.074,603 0.162,604 0.005,605 0.061,606 0.038,607 0.029,608 0.019,609 0.017,610 0.009,611 0.008,612 0.008,613 0.356,614 0.33,615 0.63,616 1.766,617 198.684,618 0.047,619 -0.164,620 0.053,621 -0.068,622 -0.006,623 -0.018,624 -0.107,625 0.103,626 -0.027,627 0.037,628 0.015,629 0.021,630 -0.048,631 -0.042,632 -0.038,633 -0.057,634 0.098,635 -0.046,636 -0.062,637 -0.02,638 -0.019,639 -0.012,640 0.022,641 -0.012,642 -0.051,643 0.015,644 -0.02,645 0.005,646 -0.062,647 -0.003,648 0.211,649 0.059,650 0.077,651 0.049,652 0.115,653 0.052,654 0.139,655 -0.014,656 0.101,657 0.008,658 0.047,659 0.045,660 -0.034,661 -0.052,662 0.051,663 0.003,664 -0.006,665 0.028,666 1.628,667 5.914,668 0.514,669 61.285,670 0.982,671 1.124,672 5.071,673 25.714,674 0.645,675 3.638,676 3.871,677 4.06,678 4.205,679 4.357,680 4.344,681 4.454,682 4.511,683 4.533,684 4.654,685 10.562,686 0.593,687 472.73,688 3.638,689 5.13,690 5.932,691 6.756,692 7.571,693 8.401,694 9.223,695 10.058,696 10.885,697 11.724,698 2.7,701 2,715 13,720 5,722 18,727 1,739 1,741 75,743 19,744 3,745 37,747 77,748 31,749 18,750 5,751 13,752 1,756 3,757 3,763 2,770 3,772 19,773 12,777 1,782 1,786 1,793 40,794 4,796 4,802 2,808 1,809 2,829 3,855 2,859 3,864 3,868 35,876 9,878 1,881 2,893 2.7,896 1,898 1,901 18.167,902 14.067,903 8.139,904 4.964,907 3.069,908 1.403,909 0.947,910 11.173,911 10.679,912 3.871,913 4.35,914 4.838,915 5.3,916 5.793,917 5.852,918 6.154,919 6.379,920 6.621,921 7.009,922 1,923 48,924 12.993,926 5.205,927 0.026,929 7.5,931 25.636,933 20.294,936 2,937 70,941 470.844,942 195.082,943 6.249,945 36.145,948 195.082,949 506.989,950 6.249,951 26.047,952 22.725,953 123.191,954 30.278,955 35.234,957 470.844,959 470.844,960 201.33,961 36.145,964 353.133,965 153.856,968 46.624,969 154.707,972 470.844,973 42.393,974 195.082,977 470.844,978 45.844,979 155.487,981 36.145,982 470.844,983 42.393,984 195.082,986 0.557,987 0.319,988 0.16,989 0.08,990 17,991 8,992 0.195,993 15,995 1,996 4.873,997 286.06,999 18,1000 163.525,1005 26.819,1006 14.582,1007 9.068,1009 42.393,1010 25.926,1015 4.708,1018 708.319,1019 47,1024 12.914,1028 0.039,1031 73.647,1032 84.304,1034 0.207,1035 0.477,1036 0.696,1037 0.805,1038 0.837,1039 0.841,1040 5.059,1041 1.698,1042 5.861,1043 4.956,1044 4.554,1045 5.037,1046 1.702,1047 6.555,1048 4.506,1049 6.2,1050 1.39,1051 7.348,1052 3.503,1053 3.892,1054 4.527,1055 0.57,1056 7.231,1057 3.823,1058 7.45,1059 1.147,1060 8.932,1061 2.998,1062 6.038,1063 7.075,1064 1.388,1065 10.266,1066 5.955,1067 8.734,1068 1,1069 10.575,1070 2.499,1071 6.217,1072 7.397,1073 0.674,1074 11.782,1075 6.135,1076 10.051,1077 1,1078 12.258,1079 2.275,1080 7.768,1081 9.394,1082 1.19,1083 14.312,1084 7.676,1085 11.391,1086 1,1087 13.967,1088 2.275,1089 8.356,1090 10.122,1091 0.694,1092 16.202,1093 8.286,1094 12.749,1095 0.885,1096 15.698,1097 2.136,1098 9.64,1099 11.855,1100 1.049,1101 18.557,1102 9.566,1103 2.986,1104 0.618,1105 17.444,1106 2.1,1107 10.447,1108 12.814,1109 0.692,1110 20.632,1111 10.405,1112 2.689,1113 9.678,1114 19.204,1115 0.863,1116 11.605,1117 14.396,1118 0.944,1119 22.926,1120 11.569,1121 2.541,1122 7.674,1123 20.975,1124 3.94,1125 12.531,1126 15.497,1127 0.684,1128 25.095,1129 12.53,1130 2.447,1131 7.157,1132 22.756,1133 3.569,1134 13.632,1135 16.988,1136 0.865,1137 27.368,1138 13.646,1139 2.407,1140 6.904,1141 24.546,1142 3.454,1143 14.624,1144 18.18,1145 0.674,1146 29.585,1147 14.672,1148 2.067,1149 6.644,1150 26.344,1151 3.126,1152 15.702,1153 19.617,1154 0.806,1155 31.852,1156 15.771,1157 1.838,1158 5.998,1159 28.149,1160 2.609,1161 16.73,1162 20.868,1163 0.666,1164 34.095,1165 16.832,1166 21853,1167 30852,1168 24.731,1169 48.387,1170 52.826,1171 53.752,1172 54.382,1173 52.437,1174 52.382,1175 66.234,1176 6.027,1177 137.153,1178 51.134,1179 5.287,1180 5.582,1181 6.223,1182 5.052,1183 4.986,1184 6.94,1185 1.855,1186 16.431,1187 5.038,1188 16.976,1189 1.428,1190 1.453,1191 1.47,1192 1.417,1193 1.416,1194 1.79,1195 0.163,1196 3.707,1197 1.382,1198 4.021,1199 4.046,1200 3.965,1201 3.951,1202 7.427,1203 3.951,1204 3.911,1205 3.942,1206 3.84,1207 3.847,1208 4.843,1209 3.84,1210 3.847,1211 3.885,1212 3.777,1213 3.777,1214 4.76,1215 3.774,1216 3.785,1217 3.848,1218 3.643,1219 3.626,1220 4.688,1221 3.618,1222 3.596,1223 3.668,1224 3.441,1225 3.421,1226 4.344,1227 3.412,1228 3.511,1229 3.586,1230 3.38,1231 3.32,1232 4.286,1233 3.327,1234 3.306,1235 3.407,1236 3.168,1237 3.123,1238 4.181,1239 3.105,1240 3.288,1241 3.347,1242 3.04,1243 3.099,1244 3.932,1245 3.089,1246 0.117,1247 0.097,1248 0.173,1249 0.108,1250 0.081,1251 4.344,1252 0.106,1253 3.582,1254 0.027,1255 6.393,1256 0.262,1257 4.004,1258 0.082,1259 2.986,1260 3.94,1261 0.995,1262 9.678,1263 3.038,1264 1.974,1265 1.955,1266 2.077,1267 2.063,1268 1.348,1269 2.068,1270 1.912,1271 1.883,1272 2.037,1273 2.007,1274 1.235,1275 2.018,1276 1.842,1277 1.816,1278 2.014,1279 1.971,1280 1.145,1281 1.989,1282 1.765,1283 1.697,1284 1.954,1285 1.926,1286 1.13,1287 1.938,1288 1.597,1289 1.523,1290 1.877,1291 1.799,1292 1.053,1293 1.83,1294 1.477,1295 1.405,1296 1.725,1297 1.702,1298 0.869,1299 1.715,1300 1.351,1301 1.256,1302 1.724,1303 1.584,1304 0.865,1305 1.638,1306 1.272,1307 1.206,1308 1.597,1309 1.508,1310 0.841,1311 1.539,1312 4.317,1314 5.572,1316 7.015,1318 8.538,1320 10.102,1322 6.536,1328 9.279,1330 5.872,1333 4.727,1340 44.482,1341 96.704,1342 223.058,1343 325.017,1344 376.142,1345 390.897,1346 392.897,1347 73.015,1348 7.61,1349 32.78,1350 32.78,1351 18,1352 12.293,1353 4.322,1354 3.459,1355 71.297,1356 219,1357 219,1358 0.152,1359 278.26,1360 488.26,1361 670.714,1362 25468,1364 24.882,1365 0.711,1366 0.617,1367 24.882,1368 21.58,1369 17.084,1370 0.462,1371 0.349,1372 12.785,1373 16.654,1374 12.352,1375 10.389,1376 17.084,1377 12.9,1378 14.175,1379 0.302,1380 0.195,1381 14.175,1382 9.144,1383 11.596,1384 0.203,1385 0.112,1386 11.596,1387 6.362,1388 8.911,1389 0.135,1390 0.064,1391 8.911,1392 4.238,1393 6.622,1394 0.086,1395 0.034,1396 6.622,1397 2.631,1398 0.255,1399 105.299,1400 0.201,1401 33.897,1402 0.376,1403 168,1404 404.761,1405 177.477,1406 396.718,1407 542.07,1408 374,1409 188,1410 387.964,1411 198.311,1412 400.046,1413 575.39,1414 375,1415 6.842}
{0 CHEMBL1773487,1 1.289,2 19,3 7.029,4 49.412,5 150.523,6 6.378,7 0.462,8 4.377,9 4.507,10 3.815,11 3.938,12 5.321,13 3.876,14 4.955,15 5.156,16 4.1,17 4.326,18 5.814,19 4.23,20 5.241,21 5.482,22 4.136,23 4.473,24 6.068,25 4.331,26 5.318,27 5.599,28 4.025,29 4.426,30 6.114,31 4.259,32 5.195,33 5.459,34 3.959,35 4.382,36 5.99,37 4.216,38 5.189,39 5.467,40 3.898,41 4.36,42 5.947,43 4.173,44 5.095,45 5.373,46 3.841,47 4.251,48 5.854,49 4.076,50 4.968,51 5.22,52 3.815,53 4.121,54 5.82,55 3.984,56 0.076,57 1.022,58 17.896,59 7.706,60 10.275,61 10.744,62 0.25,63 1.712,64 32.564,65 12.412,66 23.393,67 17.802,68 0.305,69 2.124,70 43.164,71 16.952,72 42.016,73 24.13,74 0.402,75 2.179,76 46.899,77 17.599,78 55.659,79 25.3,80 0.313,81 1.973,82 41.111,83 16.268,84 43.296,85 23.196,86 0.412,87 1.934,88 40.638,89 16.666,90 45.189,91 23.83,92 0.281,93 1.742,94 36.974,95 15.121,96 35.826,97 21.484,98 0.286,99 1.52,100 33.15,101 12.69,102 37.514,103 17.709,104 5,105 50,106 0.199,107 0.451,108 0.636,109 0.749,110 0.793,111 0.814,112 3.614,113 1.037,114 -6.1,115 -5.94,116 -5.53,121 42.1,123 6,126 1,127 6,144 13,145 4,146 1,159 1,176 20,180 10,187 19,192 13,200 12,206 11,214 13,219 3,227 20,231 2,232 1,239 22,243 1,244 3,251 16,256 9,264 10,269 8,277 8,281 3030,282 24.827,283 24.827,284 24.827,285 24.827,286 24.827,287 22.6,288 25.555,289 15.398,290 25.155,291 19.31,292 19.31,293 19.31,294 19.31,295 19.31,296 16.003,297 31.008,298 7.427,299 19.816,300 4.959,301 3.327,302 2.127,303 1.395,304 1.112,305 0.977,306 4.315,312 1,313 1471,314 4.123,318 603.15,325 3.444,326 19.817,329 0.75,330 0.5,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.77,337 75,338 684,339 4.344,340 3.582,341 6.393,342 4.004,343 2.986,344 3.94,345 0.995,346 9.678,347 3.038,348 3.993,349 3.036,350 5.584,351 3.659,352 2.689,353 3.569,354 0.86,355 7.674,356 2.614,357 3.917,358 2.873,359 5.428,360 3.518,361 2.541,362 3.454,363 0.8,364 7.157,365 2.495,366 3.749,367 2.829,368 5.34,369 3.451,370 2.521,371 3.126,372 0.359,373 6.965,374 2.344,375 3.522,376 2.676,377 5.32,378 3.382,379 2.408,380 2.609,382 6.904,383 2.328,384 3.357,385 2.241,386 5.088,387 3.027,388 2.067,389 2.522,391 5.998,392 1.975,393 3.111,394 2.069,395 4.628,396 2.809,397 1.841,398 2.247,400 4.956,401 1.774,402 2.794,403 1.852,404 3.83,405 2.728,406 1.737,407 1.871,409 3.581,410 1.718,411 2.767,412 1.766,413 3.716,414 2.458,415 1.48,416 1.776,418 3.101,419 1.443,420 2.534,421 1.563,422 3.587,423 2.38,424 1.389,425 1.505,427 2.997,428 1.374,429 2.5,430 1.486,431 3.56,432 2.056,433 1.086,434 1.5,436 2.448,437 1.042,438 2.5,439 1.257,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.5,448 1.077,449 3.414,450 2,451 1,452 1.5,454 2.275,455 1,456 2.46,457 1,458 3.247,459 2,460 1,461 1.357,463 2.136,464 1,465 2.07,466 1,467 3.247,468 1.984,469 1,470 1.038,472 2.136,473 0.983,474 17.467,475 0.485,476 0.588,477 0.016,478 41.75,479 1.16,480 20,481 0.556,482 21.75,483 0.604,484 33.933,485 0.943,486 39.533,487 0.52,488 31.248,489 0.868,490 8.005,491 0.222,492 9.665,493 0.268,494 0.048,496 0.218,501 0.769,502 1.333,503 0.944,504 1.175,505 0.592,506 1.088,507 1.254,508 1.068,509 1.096,510 1.024,511 0.685,512 1.03,513 1.084,514 1.133,515 1.056,516 1.109,517 0.767,518 1.083,519 1.242,520 0.916,521 0.962,522 0.902,523 1.222,524 0.907,525 1.051,526 0.97,527 1.019,528 0.989,529 1.184,530 0.999,531 0.532,532 0.931,533 0.926,534 0.987,535 0.522,536 0.99,537 0.685,538 0.962,539 0.87,540 0.99,541 0.859,542 0.956,543 1.534,544 1.012,545 0.981,546 0.985,547 1.326,548 0.952,549 5.5,550 0.14,551 2.667,552 1.625,553 1.227,554 0.722,555 0.604,556 0.292,557 0.246,558 0.245,559 26231,560 49491,561 2.106,562 52.6,563 4,564 28,569 8,572 1.765,573 2.038,574 4.17,575 -0.882,582 97.965,583 1.289,584 2.921,585 4.121,586 4.853,587 5.136,588 5.271,589 3.655,590 4.35,591 5.133,592 4.393,593 2767.34,594 8.974,595 51230.9,600 474.842,601 1.053,602 5.131,603 0.141,604 0.004,605 0.053,606 0.033,607 0.029,608 0.018,609 0.016,610 0.008,611 0.007,612 0.007,613 0.316,614 0.33,615 0.63,616 0.375,617 206.439,618 0.046,619 -0.141,620 0.063,621 -0.049,622 0.027,623 -0.002,624 -0.117,625 0.068,626 -0.07,627 -0.004,628 0.014,629 -0.023,630 -0.029,631 -0.109,632 -0.058,633 -0.104,634 0.102,635 -0.086,636 -0.053,637 0.049,638 0.039,639 0.055,640 0.049,641 0.055,642 -0.065,643 0.016,644 -0.033,645 0.001,646 -0.062,647 -0.01,648 0.205,649 0.027,650 0.034,651 0.01,652 0.11,653 0.009,654 0.138,655 -0.017,656 0.096,657 0.005,658 0.054,659 0.04,660 -0.036,661 -0.054,662 0.043,663 -0.002,664 -0.015,665 0.022,666 1.622,667 5.94,668 0.667,669 63.963,670 0.982,671 1.122,672 4.867,673 23.685,674 0.65,675 3.689,676 3.932,677 4.127,678 4.304,679 4.477,680 4.419,681 4.522,682 4.575,683 4.595,684 4.71,685 10.873,686 0.598,687 484.74,688 3.689,689 5.187,690 5.994,691 6.821,692 7.639,693 8.471,694 9.294,695 10.129,696 10.957,697 11.795,698 2.6,701 2,715 13,720 5,722 18,727 1,739 1,741 76,743 19,744 3,745 39,747 79,748 32,749 18,750 5,751 13,752 1,756 4,757 4,767 3,770 6,772 19,773 13,777 1,782 1,786 1,793 40,794 4,796 4,802 2,808 1,809 2,829 4,855 2,859 4,864 1,868 36,876 12,878 1,881 2,893 2.6,896 1,898 1,901 17.667,902 13.567,903 8.139,904 4.964,907 3.077,908 1.39,909 0.968,910 10.285,911 10.963,912 3.912,913 4.388,914 4.869,915 5.335,916 5.823,917 5.869,918 6.167,919 6.39,920 6.629,921 7.014,922 0.923,923 49,924 13.396,926 5.495,927 0.026,929 7.458,931 26.672,933 21.805,936 1.958,937 70.5,941 470.844,942 185.035,943 6.249,945 36.145,948 185.035,949 506.989,950 6.249,951 8.396,952 30.328,953 123.191,954 30.278,955 35.234,957 470.844,959 470.844,960 191.284,961 36.145,964 376.675,965 130.314,968 36.577,969 154.707,972 470.844,973 42.393,974 185.035,977 470.844,978 53.447,979 137.836,981 36.145,982 470.844,983 42.393,984 185.035,986 0.561,987 0.314,988 0.165,989 0.088,990 20,991 8,992 0.165,993 13,995 1,996 5.092,997 303.488,999 24,1000 170.117,1005 26.289,1006 14.085,1007 8.69,1009 42.393,1010 26.003,1015 4.737,1018 698.272,1019 49,1024 12.94,1028 0.045,1031 74.647,1032 85.304,1034 0.206,1035 0.467,1036 0.66,1037 0.777,1038 0.822,1039 0.844,1040 5.109,1041 1.737,1042 5.916,1043 4.956,1044 4.615,1045 5.075,1046 1.702,1047 6.605,1048 4.571,1049 6.24,1050 1.48,1051 7.393,1052 3.581,1053 3.892,1054 4.527,1055 0.57,1056 7.231,1057 3.823,1058 7.484,1059 1.389,1060 8.968,1061 3.101,1062 6.089,1063 7.093,1064 1.388,1065 10.299,1066 6.008,1067 8.761,1068 1.086,1069 10.603,1070 2.997,1071 6.217,1072 7.397,1073 0.674,1074 11.794,1075 6.135,1076 10.074,1077 1,1078 12.28,1079 2.448,1080 7.812,1081 9.403,1082 1.19,1083 14.337,1084 7.718,1085 11.41,1086 1,1087 13.986,1088 2.275,1089 8.366,1090 10.124,1091 0.694,1092 16.217,1093 8.293,1094 12.765,1095 1,1096 15.714,1097 2.275,1098 9.679,1099 11.859,1100 1.049,1101 18.575,1102 9.598,1103 2.986,1104 1,1105 17.458,1106 2.136,1107 10.464,1108 12.815,1109 0.692,1110 20.645,1111 10.416,1112 2.689,1113 9.678,1114 19.217,1115 2.136,1116 11.639,1117 14.398,1118 0.944,1119 22.937,1120 11.592,1121 2.541,1122 7.674,1123 20.987,1124 3.94,1125 12.552,1126 15.498,1127 0.684,1128 25.104,1129 12.541,1130 2.521,1131 7.157,1132 22.767,1133 3.569,1134 13.661,1135 16.989,1136 0.865,1137 27.375,1138 13.662,1139 2.408,1140 6.965,1141 24.557,1142 3.454,1143 14.644,1144 18.181,1145 0.674,1146 29.591,1147 14.681,1148 2.067,1149 6.904,1150 26.354,1151 3.126,1152 15.726,1153 19.617,1154 0.806,1155 31.857,1156 15.782,1157 1.841,1158 5.998,1159 28.158,1160 2.609,1161 16.749,1162 20.869,1163 0.666,1164 34.098,1165 16.839,1166 24680,1167 34159,1168 26.811,1169 49.387,1170 56.458,1171 57.327,1172 56.925,1173 56.071,1174 56.009,1175 69.863,1176 6.027,1177 146.429,1178 54.761,1179 5.344,1180 5.582,1181 6.219,1182 5.053,1183 4.986,1184 6.94,1185 1.855,1186 16.431,1187 5.038,1188 11.632,1189 1.448,1190 1.47,1191 1.46,1192 1.438,1193 1.436,1194 1.791,1195 0.155,1196 3.755,1197 1.404,1198 4.023,1199 4.05,1200 3.966,1201 3.952,1202 7.427,1203 3.952,1204 3.911,1205 3.942,1206 3.84,1207 3.847,1208 4.843,1209 3.841,1210 3.872,1211 3.937,1212 3.778,1213 3.778,1214 4.76,1215 3.774,1216 3.837,1217 3.867,1218 3.728,1219 3.711,1220 4.688,1221 3.705,1222 3.659,1223 3.723,1224 3.496,1225 3.528,1226 4.354,1227 3.509,1228 3.514,1229 3.588,1230 3.392,1231 3.321,1232 4.295,1233 3.33,1234 3.344,1235 3.411,1236 3.201,1237 3.149,1238 4.181,1239 3.149,1240 3.189,1241 3.219,1242 3.073,1243 3.036,1244 3.961,1245 3.039,1246 0.111,1247 0.092,1248 0.164,1249 0.103,1250 0.077,1251 4.344,1252 0.101,1253 3.582,1254 0.026,1255 6.393,1256 0.248,1257 4.004,1258 0.078,1259 2.986,1260 3.94,1261 0.995,1262 9.678,1263 3.038,1264 1.974,1265 1.955,1266 2.078,1267 2.063,1268 1.427,1269 2.069,1270 1.912,1271 1.883,1272 2.071,1273 2.033,1274 1.301,1275 2.05,1276 1.849,1277 1.817,1278 2.034,1279 2.004,1280 1.235,1281 2.015,1282 1.835,1283 1.777,1284 1.972,1285 1.935,1286 1.141,1287 1.948,1288 1.68,1289 1.617,1290 1.928,1291 1.843,1292 1.058,1293 1.876,1294 1.478,1295 1.406,1296 1.725,1297 1.704,1298 0.93,1299 1.716,1300 1.329,1301 1.259,1302 1.631,1303 1.561,1304 0.844,1305 1.587,1306 1.153,1307 1.112,1308 1.513,1309 1.376,1310 0.825,1311 1.429,1312 4.369,1314 5.631,1316 7.081,1318 8.61,1320 10.179,1322 2.116,1328 13.882,1330 5.904,1333 4.873,1340 45.482,1341 97.965,1342 221.984,1343 313.188,1344 368.803,1345 390.313,1346 400.578,1347 65.534,1348 7.885,1349 32.78,1350 32.78,1351 24,1352 12.364,1353 4.322,1354 3.459,1355 62.855,1356 233,1357 234,1358 0.125,1359 280.459,1360 493.2,1361 676.08,1362 38390,1364 25.004,1365 0.695,1366 0.603,1367 25.004,1368 21.702,1369 17.67,1370 0.453,1371 0.346,1372 13.37,1373 17.256,1374 13.017,1375 10.866,1376 17.67,1377 13.486,1378 14.997,1379 0.3,1380 0.2,1381 14.997,1382 10.02,1383 12.166,1384 0.199,1385 0.113,1386 12.166,1387 6.917,1388 9.69,1389 0.133,1390 0.067,1391 9.69,1392 4.881,1393 7.558,1394 0.087,1395 0.039,1396 7.558,1397 3.356,1398 0.21,1399 108.814,1400 0.193,1401 34.801,1402 0.307,1403 178,1404 414.761,1405 187.477,1406 406.738,1407 557.53,1408 384,1409 200,1410 399.964,1411 210.644,1412 412.518,1413 594.75,1414 387,1415 6.845}
{0 CHEMBL1773488,1 1.279,2 19.056,3 7.266,4 52.795,5 152.478,6 6.241,7 0.474,8 4.388,9 4.523,10 3.796,11 3.934,12 5.347,13 3.866,14 4.952,15 5.164,16 4.063,17 4.296,18 5.816,19 4.197,20 5.211,21 5.453,22 4.126,23 4.448,24 6.054,25 4.312,26 5.314,27 5.584,28 4.05,29 4.454,30 6.135,31 4.289,32 5.291,33 5.569,34 3.974,35 4.44,36 6.063,37 4.259,38 5.261,39 5.553,40 3.902,41 4.39,42 5.994,43 4.193,44 5.132,45 5.415,46 3.841,47 4.271,48 5.892,49 4.091,50 4.984,51 5.239,52 3.817,53 4.164,54 5.821,55 4.013,56 0.081,57 1.041,58 18.515,59 7.87,60 11.676,61 11.07,62 0.256,63 1.691,64 32.802,65 12.298,66 25.581,67 17.847,68 0.312,69 2.055,70 42.074,71 16.259,72 42.373,73 23.308,74 0.379,75 2.173,76 46.452,77 17.713,78 55.852,79 25.438,80 0.336,81 2.125,82 44.952,83 17.732,84 48.285,85 25.497,86 0.381,87 2.032,88 43.268,89 17.565,90 47.885,91 25.286,92 0.374,93 1.781,94 38.297,95 15.302,96 40.761,97 21.887,98 0.235,99 1.559,100 33.271,101 13.249,102 34.618,103 18.676,104 29,105 48,106 0.197,107 0.455,108 0.667,109 0.777,110 0.814,111 0.818,112 3.614,113 1.058,114 -6.49,115 -6.32,116 -5.86,121 41,122 2,123 4,126 1,127 6,144 13,145 4,146 1,159 1,176 19,180 10,187 19,192 12,200 13,206 11,214 14,219 5,227 19,231 1,232 1,239 21,243 2,244 3,251 19,256 5,264 12,269 9,277 9,281 3086,282 24.706,283 24.706,284 24.706,285 24.706,286 24.706,287 22.479,288 25.555,289 15.207,290 25.105,291 18.649,292 18.649,293 18.649,294 18.649,295 18.649,296 15.341,297 31.008,298 7.135,299 19.183,300 5.006,301 3.331,302 1.957,303 1.244,304 1.003,305 0.978,306 4.301,312 1,313 1426,314 4.743,318 453.944,325 3.503,326 20.362,329 0.75,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.71,337 75,338 686,339 4.344,340 3.582,341 6.393,342 4.004,343 2.986,344 3.94,345 0.995,346 9.678,347 3.038,348 3.993,349 3.036,350 5.584,351 3.659,352 2.689,353 3.569,354 0.86,355 7.674,356 2.614,357 3.917,358 2.873,359 5.428,360 3.517,361 2.541,362 3.454,363 0.8,364 7.157,365 2.495,366 3.749,367 2.781,368 5.32,369 3.383,370 2.446,371 3.126,372 0.359,373 6.904,374 2.33,375 3.446,376 2.676,377 5.271,378 3.366,379 2.408,380 2.609,382 6.644,383 2.251,384 3.357,385 2.241,386 5.088,387 3.027,388 2.068,389 2.446,391 5.998,392 1.976,393 3.111,394 2.07,395 4.628,396 2.815,397 1.846,398 2.247,400 4.956,401 1.784,402 2.809,403 1.856,404 3.843,405 2.749,406 1.761,407 1.871,409 3.623,410 1.733,411 2.78,412 1.784,413 3.712,414 2.382,415 1.391,416 1.803,418 2.999,419 1.376,420 2.519,421 1.486,422 3.564,423 2.273,424 1.306,425 1.5,427 2.729,428 1.257,429 2.5,430 1.46,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.5,439 1,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.5,448 1,449 3.404,450 2,451 1,452 1.423,454 2.258,455 1,456 2.305,457 1,458 3.247,459 1.964,460 0.927,461 1.252,463 2.136,464 0.951,465 1.741,466 0.916,467 2.951,468 1.624,469 0.665,470 0.705,472 1.382,473 0.632,474 17.467,475 0.485,476 0.588,477 0.016,478 41.25,479 1.146,480 20,481 0.556,482 21.25,483 0.59,484 34.849,485 0.968,486 40.133,487 0.515,488 31.489,489 0.875,490 8.048,491 0.224,492 9.536,493 0.265,494 0.105,496 0.218,501 0.782,502 1.377,503 0.982,504 1.22,505 0.642,506 1.131,507 1.272,508 1.051,509 1.074,510 1.001,511 0.7,512 1.004,513 1.162,514 1.081,515 1.043,516 1.061,517 0.799,518 1.041,519 1.238,520 1.001,521 1.017,522 0.989,523 1.259,524 0.986,525 0.979,526 0.959,527 0.995,528 0.98,529 1.113,530 0.988,531 0.557,532 0.916,533 0.88,534 0.951,535 0.509,536 0.944,537 0.773,538 0.877,539 0.888,540 0.92,541 0.886,542 0.918,543 1.12,544 1.073,545 0.965,546 1.071,547 1.201,548 1.02,549 6,550 0.194,551 2.889,552 1.813,553 1.236,554 0.743,555 0.625,556 0.342,557 0.213,558 0.259,559 24532,560 47168,561 2.026,562 53.8,563 4,564 28,569 10,572 1.765,573 1.929,574 4.173,575 -0.882,582 99.784,583 1.279,584 2.954,585 4.329,586 5.042,587 5.282,588 5.308,589 3.669,590 4.538,591 5.132,592 4.41,593 2778.2,594 8.974,595 51805.6,600 490.261,601 1.224,602 5.116,603 0.158,604 0.006,605 0.06,606 0.037,607 0.028,608 0.018,609 0.016,610 0.01,611 0.006,612 0.008,613 0.347,614 0.33,615 0.63,616 1.876,617 206.803,618 0.049,619 -0.159,620 0.052,621 -0.066,622 -0.001,623 -0.017,624 -0.102,625 0.088,626 -0.033,627 0.025,628 0.019,629 0.01,630 -0.041,631 -0.038,632 -0.03,633 -0.05,634 0.104,635 -0.039,636 -0.057,637 -0.019,638 -0.014,639 -0.011,640 0.029,641 -0.009,642 -0.047,643 0.015,644 -0.016,645 0.006,646 -0.055,647 -0.001,648 0.156,649 0.029,650 0.074,651 0.036,652 0.109,653 0.048,654 0.148,655 0.075,656 0.085,657 0.065,658 0.038,659 0.068,660 0.03,661 -0.098,662 0.034,663 -0.062,664 0.007,665 -0.021,666 1.626,667 5.93,668 0.5,669 65.691,670 0.981,671 1.125,672 5.259,673 27.654,674 0.643,675 3.664,676 3.892,677 4.078,678 4.22,679 4.369,680 4.357,681 4.466,682 4.522,683 4.533,684 4.654,685 10.999,686 0.59,687 486.76,688 3.664,689 5.153,690 5.953,691 6.774,692 7.587,693 8.415,694 9.236,695 10.069,696 10.895,697 11.732,698 2.6,701 2,715 13,720 5,722 18,727 1,739 1,741 78,743 19,744 3,745 38,747 80,748 32,749 18,750 5,751 13,752 1,756 3,757 3,763 2,770 4,772 19,773 13,777 1,782 1,786 1,793 42,794 4,796 4,802 2,808 1,809 2,829 3,855 2,859 3,864 3,868 36,876 10,878 1,881 2,893 2.6,896 1,898 1,901 18.667,902 14.567,903 8.389,904 5.214,907 3.069,908 1.401,909 0.945,910 11.861,911 10.732,912 3.892,913 4.363,914 4.846,915 5.305,916 5.796,917 5.855,918 6.157,919 6.381,920 6.62,921 7.007,922 0.923,923 49,924 13.372,926 5.348,927 0.026,929 7.486,931 26.453,933 20.96,936 1.986,937 71.5,941 494.386,942 197.616,943 6.249,945 36.145,948 197.616,949 530.531,950 6.249,951 26.047,952 25.259,953 123.191,954 30.278,955 35.234,957 494.386,959 494.386,960 203.865,961 36.145,964 376.675,965 153.856,968 49.158,969 154.707,972 494.386,973 42.393,974 197.616,977 494.386,978 48.378,979 155.487,981 36.145,982 494.386,983 42.393,984 197.616,986 0.555,987 0.317,988 0.159,989 0.079,990 17,991 8,992 0.2,993 16,995 1,996 4.988,997 294.831,999 18,1000 170.117,1005 27.803,1006 15.358,1007 9.66,1009 42.393,1010 25.954,1015 4.717,1018 734.396,1019 48,1024 12.93,1028 0.041,1031 76.53,1032 87.719,1034 0.204,1035 0.47,1036 0.689,1037 0.802,1038 0.84,1039 0.844,1040 5.078,1041 1.761,1042 5.878,1043 4.956,1044 4.575,1045 5.05,1046 1.702,1047 6.567,1048 4.528,1049 6.214,1050 1.391,1051 7.361,1052 3.623,1053 3.892,1054 4.527,1055 0.57,1056 7.231,1057 3.823,1058 7.461,1059 1.306,1060 8.941,1061 2.999,1062 6.052,1063 7.08,1064 1.388,1065 10.269,1066 5.97,1067 8.742,1068 1,1069 10.582,1070 2.729,1071 6.217,1072 7.397,1073 0.674,1074 11.782,1075 6.135,1076 10.057,1077 1,1078 12.262,1079 2.275,1080 7.776,1081 9.395,1082 1.19,1083 14.313,1084 7.685,1085 11.395,1086 1,1087 13.97,1088 2.275,1089 8.356,1090 10.122,1091 0.694,1092 16.202,1093 8.286,1094 12.752,1095 0.927,1096 15.7,1097 2.258,1098 9.645,1099 11.855,1100 1.049,1101 18.557,1102 9.571,1103 2.986,1104 0.665,1105 17.446,1106 2.136,1107 10.447,1108 12.814,1109 0.692,1110 20.632,1111 10.405,1112 2.689,1113 9.678,1114 19.205,1115 1.382,1116 11.608,1117 14.396,1118 0.944,1119 22.926,1120 11.571,1121 2.541,1122 7.674,1123 20.976,1124 3.94,1125 12.531,1126 15.497,1127 0.684,1128 25.095,1129 12.53,1130 2.446,1131 7.157,1132 22.757,1133 3.569,1134 13.633,1135 16.988,1136 0.865,1137 27.368,1138 13.647,1139 2.408,1140 6.904,1141 24.547,1142 3.454,1143 14.624,1144 18.18,1145 0.674,1146 29.585,1147 14.672,1148 2.068,1149 6.644,1150 26.344,1151 3.126,1152 15.702,1153 19.617,1154 0.806,1155 31.852,1156 15.771,1157 1.846,1158 5.998,1159 28.149,1160 2.609,1161 16.73,1162 20.868,1163 0.666,1164 34.095,1165 16.832,1166 24024,1167 33619,1168 25.424,1169 50.148,1170 54.018,1171 55.027,1172 55.588,1173 53.701,1174 53.66,1175 67.512,1176 6.027,1177 139.686,1178 52.412,1179 5.296,1180 5.582,1181 6.259,1182 5.051,1183 4.986,1184 6.94,1185 1.855,1186 16.431,1187 5.038,1188 17.368,1189 1.422,1190 1.448,1191 1.463,1192 1.413,1193 1.412,1194 1.777,1195 0.159,1196 3.676,1197 1.379,1198 4.021,1199 4.047,1200 3.966,1201 3.952,1202 7.427,1203 3.951,1204 3.911,1205 3.942,1206 3.84,1207 3.847,1208 4.843,1209 3.841,1210 3.848,1211 3.888,1212 3.777,1213 3.778,1214 4.76,1215 3.774,1216 3.795,1217 3.854,1218 3.652,1219 3.646,1220 4.688,1221 3.635,1222 3.634,1223 3.707,1224 3.475,1225 3.46,1226 4.342,1227 3.453,1228 3.514,1229 3.588,1230 3.392,1231 3.322,1232 4.296,1233 3.33,1234 3.367,1235 3.438,1236 3.205,1237 3.188,1238 4.181,1239 3.175,1240 3.306,1241 3.407,1242 3.079,1243 3.123,1244 4,1245 3.089,1246 0.114,1247 0.094,1248 0.168,1249 0.105,1250 0.079,1251 4.344,1252 0.104,1253 3.582,1254 0.026,1255 6.393,1256 0.255,1257 4.004,1258 0.08,1259 2.986,1260 3.94,1261 0.995,1262 9.678,1263 3.038,1264 1.974,1265 1.955,1266 2.077,1267 2.063,1268 1.375,1269 2.068,1270 1.912,1271 1.883,1272 2.039,1273 2.007,1274 1.235,1275 2.018,1276 1.842,1277 1.817,1278 2.026,1279 1.976,1280 1.172,1281 1.996,1282 1.78,1283 1.715,1284 1.957,1285 1.929,1286 1.139,1287 1.941,1288 1.633,1289 1.559,1290 1.903,1291 1.833,1292 1.057,1293 1.862,1294 1.478,1295 1.407,1296 1.726,1297 1.705,1298 0.965,1299 1.717,1300 1.374,1301 1.301,1302 1.725,1303 1.591,1304 0.869,1305 1.638,1306 1.351,1307 1.256,1308 1.69,1309 1.584,1310 0.844,1311 1.627,1312 4.344,1314 5.595,1316 7.033,1318 8.551,1320 10.112,1322 6.559,1328 10.668,1330 5.885,1333 4.747,1340 46.008,1341 99.784,1342 230.414,1343 337.626,1344 393.242,1345 411.997,1346 413.997,1347 77.154,1348 7.663,1349 32.78,1350 32.78,1351 18,1352 12.302,1353 4.322,1354 3.459,1355 74.611,1356 235,1357 236,1358 0.148,1359 287.852,1360 505.56,1361 694.12,1362 27724,1364 25.589,1365 0.711,1366 0.619,1367 25.589,1368 22.288,1369 17.584,1370 0.463,1371 0.353,1372 13.285,1373 17.154,1374 12.843,1375 10.805,1376 17.584,1377 13.4,1378 14.529,1379 0.303,1380 0.198,1381 14.529,1382 9.498,1383 11.846,1384 0.204,1385 0.114,1386 11.846,1387 6.612,1388 9.088,1389 0.136,1390 0.066,1391 9.088,1392 4.414,1393 6.747,1394 0.087,1395 0.035,1396 6.747,1397 2.756,1398 0.249,1399 108.299,1400 0.198,1401 34.792,1402 0.363,1403 172,1404 408.761,1405 181.477,1406 400.88,1407 547.83,1408 378,1409 192,1410 391.964,1411 202.311,1412 404.208,1413 581.15,1414 379,1415 6.59}
{0 CHEMBL1773489,1 1.279,2 19.757,3 7.486,4 56.034,5 155.124,6 6.314,7 0.45,8 4.413,9 4.544,10 3.84,11 3.972,12 5.347,13 3.907,14 4.994,15 5.197,16 4.122,17 4.36,18 5.841,19 4.26,20 5.284,21 5.529,22 4.158,23 4.508,24 6.096,25 4.361,26 5.358,27 5.642,28 4.049,29 4.462,30 6.141,31 4.292,32 5.24,33 5.508,34 3.985,35 4.42,36 6.02,37 4.25,38 5.234,39 5.515,40 3.925,41 4.396,42 5.976,43 4.207,44 5.149,45 5.431,46 3.866,47 4.295,48 5.897,49 4.116,50 5.004,51 5.257,52 3.842,53 4.191,54 5.826,55 4.04,56 0.081,57 1.062,58 18.742,59 8.054,60 10.775,61 11.266,62 0.256,63 1.777,64 33.991,65 13.002,66 24.168,67 18.702,68 0.316,69 2.207,70 45.054,71 17.711,72 43.302,73 25.287,74 0.41,75 2.258,76 48.614,77 18.314,78 56.356,79 26.386,80 0.321,81 2.054,82 42.903,83 17.015,84 44.002,85 24.318,86 0.369,87 2.017,88 42.332,89 17.355,90 45.007,91 24.851,92 0.376,93 1.828,94 39.068,95 15.708,96 39.654,97 22.407,98 0.236,99 1.601,100 33.939,101 13.626,102 33.791,103 19.139,104 5,105 51,106 0.196,107 0.443,108 0.627,109 0.746,110 0.798,111 0.818,112 3.641,113 1.049,114 -6.28,115 -6.12,116 -5.68,121 41.8,123 7,126 1,127 6,144 13,145 4,146 1,159 1,176 21,180 10,187 20,192 13,200 13,206 11,214 13,219 5,227 20,231 1,232 1,239 22,243 2,244 3,251 20,256 5,264 13,269 9,277 9,281 3331,282 25.534,283 25.534,284 25.534,285 25.534,286 25.534,287 23.307,288 25.555,289 15.898,290 25.862,291 19.81,292 19.81,293 19.81,294 19.81,295 19.81,296 16.503,297 31.008,298 7.677,299 20.316,300 5.025,301 3.411,302 2.211,303 1.437,304 1.095,305 0.965,306 4.341,312 1,313 1570,314 4.243,318 626.349,325 3.601,326 19.911,329 0.75,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.71,337 77,338 731,339 4.344,340 3.582,341 6.393,342 4.004,343 2.986,344 3.94,345 0.995,346 9.678,347 3.038,348 3.993,349 3.036,350 5.584,351 3.659,352 2.689,353 3.569,354 0.86,355 7.674,356 2.614,357 3.917,358 2.873,359 5.428,360 3.517,361 2.541,362 3.454,363 0.8,364 7.157,365 2.495,366 3.749,367 2.83,368 5.34,369 3.451,370 2.522,371 3.126,372 0.359,373 6.965,374 2.344,375 3.522,376 2.676,377 5.32,378 3.382,379 2.408,380 2.609,382 6.904,383 2.329,384 3.357,385 2.241,386 5.088,387 3.027,388 2.068,389 2.522,391 5.998,392 1.976,393 3.111,394 2.071,395 4.628,396 2.825,397 1.851,398 2.247,400 4.956,401 1.803,402 2.826,403 1.858,404 3.86,405 2.768,406 1.782,407 1.872,409 3.669,410 1.747,411 2.783,412 1.798,413 3.726,414 2.507,415 1.524,416 1.823,418 3.174,419 1.494,420 2.559,421 1.595,422 3.62,423 2.381,424 1.39,425 1.545,427 2.998,428 1.375,429 2.5,430 1.486,431 3.563,432 2.196,433 1.231,434 1.5,436 2.632,437 1.181,438 2.5,439 1.38,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.5,448 1.077,449 3.414,450 2,451 1,452 1.5,454 2.275,455 1,456 2.487,457 1,458 3.34,459 2,460 1,461 1.383,463 2.235,464 1,465 2.231,466 1,467 3.247,468 1.984,469 1,470 1.196,472 2.136,473 0.983,474 17.967,475 0.486,476 0.588,477 0.016,478 42.25,479 1.142,480 20,481 0.541,482 22.25,483 0.601,484 35.824,485 0.968,486 40.833,487 0.517,488 31.505,489 0.851,490 8.005,491 0.216,492 10.165,493 0.275,494 0.046,496 0.212,501 0.772,502 1.337,503 0.958,504 1.184,505 0.593,506 1.1,507 1.249,508 1.082,509 1.105,510 1.04,511 0.683,512 1.045,513 1.074,514 1.126,515 1.049,516 1.102,517 0.759,518 1.076,519 1.234,520 0.918,521 0.96,522 0.904,523 1.212,524 0.908,525 1.04,526 0.969,527 1.014,528 0.987,529 1.169,530 0.997,531 0.585,532 0.959,533 0.926,534 0.996,535 0.526,536 0.99,537 0.773,538 0.88,539 0.894,540 0.924,541 0.88,542 0.923,543 1.116,544 1.072,545 0.97,546 1.072,547 1.192,548 1.024,549 5.5,550 0.182,551 2.667,552 1.625,553 1.227,554 0.722,555 0.604,556 0.323,557 0.197,558 0.245,559 28732,560 53344,561 2.103,562 53.2,563 6,564 28,569 8,572 1.771,573 2.037,574 4.222,575 -0.885,582 101.056,583 1.279,584 2.892,585 4.092,586 4.866,587 5.208,588 5.338,589 3.756,590 4.723,591 5.173,592 4.452,593 2964.87,594 9.05,595 56764.1,600 497.999,601 1.037,602 5.171,603 0.138,604 0.006,605 0.052,606 0.032,607 0.028,608 0.017,609 0.015,610 0.009,611 0.005,612 0.007,613 0.31,614 0.33,615 0.63,616 0.368,617 214.638,618 0.048,619 -0.137,620 0.062,621 -0.047,622 0.031,623 -0.001,624 -0.112,625 0.056,626 -0.073,627 -0.013,628 0.018,629 -0.031,630 -0.023,631 -0.103,632 -0.049,633 -0.097,634 0.107,635 -0.077,636 -0.048,637 0.047,638 0.04,639 0.053,640 0.054,641 0.054,642 -0.06,643 0.016,644 -0.028,645 0.003,646 -0.054,647 -0.007,648 0.148,649 -0.001,650 0.034,651 -0.001,652 0.104,653 0.008,654 0.146,655 0.072,656 0.081,657 0.061,658 0.045,659 0.064,660 0.028,661 -0.1,662 0.027,663 -0.066,664 0.017,665 -0.026,666 1.621,667 5.953,668 0.649,669 68.247,670 0.981,671 1.123,672 5.052,673 25.524,674 0.647,675 3.714,676 3.951,677 4.143,678 4.317,679 4.489,680 4.431,681 4.533,682 4.585,683 4.595,684 4.71,685 11.315,686 0.595,687 498.77,688 3.714,689 5.209,690 6.014,691 6.838,692 7.654,693 8.484,694 9.306,695 10.14,696 10.966,697 11.803,698 2.5,701 2,715 13,720 5,722 18,727 1,739 1,741 79,743 19,744 3,745 40,747 82,748 33,749 18,750 5,751 13,752 1,756 4,757 4,767 3,770 7,772 19,773 14,777 1,782 1,786 1,793 42,794 4,796 4,802 2,808 1,809 2,829 4,855 2,859 4,864 1,868 37,876 13,878 1,881 2,893 2.5,896 1,898 1,901 18.167,902 14.067,903 8.389,904 5.214,907 3.075,908 1.388,909 0.966,910 10.928,911 11.003,912 3.932,913 4.401,914 4.877,915 5.339,916 5.826,917 5.872,918 6.169,919 6.391,920 6.628,921 7.012,922 1,923 50,924 13.775,926 5.638,927 0.026,929 7.446,931 27.488,933 22.472,936 1.946,937 72,941 494.386,942 187.569,943 6.249,945 36.145,948 187.569,949 530.531,950 6.249,951 8.396,952 32.863,953 123.191,954 30.278,955 35.234,957 494.386,959 494.386,960 193.818,961 36.145,964 400.217,965 130.314,968 39.111,969 154.707,972 494.386,973 42.393,974 187.569,977 494.386,978 55.982,979 137.836,981 36.145,982 494.386,983 42.393,984 187.569,986 0.559,987 0.312,988 0.164,989 0.087,990 20,991 8,992 0.171,993 14,995 1,996 5.206,997 312.266,999 24,1000 176.75,1005 27.261,1006 14.832,1007 9.233,1009 42.393,1010 26.022,1015 4.742,1018 724.349,1019 50,1024 12.953,1028 0.046,1031 77.53,1032 88.719,1034 0.203,1035 0.459,1036 0.649,1037 0.772,1038 0.826,1039 0.847,1040 5.127,1041 1.782,1042 5.932,1043 4.956,1044 4.635,1045 5.088,1046 1.702,1047 6.616,1048 4.591,1049 6.253,1050 1.524,1051 7.405,1052 3.669,1053 3.892,1054 4.527,1055 0.57,1056 7.231,1057 3.823,1058 7.495,1059 1.39,1060 8.977,1061 3.174,1062 6.103,1063 7.098,1064 1.388,1065 10.302,1066 6.023,1067 8.769,1068 1.231,1069 10.61,1070 2.998,1071 6.217,1072 7.397,1073 0.674,1074 11.794,1075 6.135,1076 10.08,1077 1,1078 12.284,1079 2.632,1080 7.82,1081 9.404,1082 1.19,1083 14.337,1084 7.727,1085 11.414,1086 1,1087 13.989,1088 2.275,1089 8.366,1090 10.124,1091 0.694,1092 16.217,1093 8.293,1094 12.768,1095 1,1096 15.715,1097 2.275,1098 9.684,1099 11.859,1100 1.049,1101 18.575,1102 9.603,1103 2.986,1104 1,1105 17.46,1106 2.235,1107 10.464,1108 12.815,1109 0.692,1110 20.645,1111 10.416,1112 2.689,1113 9.678,1114 19.218,1115 2.136,1116 11.641,1117 14.398,1118 0.944,1119 22.937,1120 11.594,1121 2.541,1122 7.674,1123 20.988,1124 3.94,1125 12.552,1126 15.498,1127 0.684,1128 25.104,1129 12.541,1130 2.522,1131 7.157,1132 22.768,1133 3.569,1134 13.662,1135 16.989,1136 0.865,1137 27.375,1138 13.663,1139 2.408,1140 6.965,1141 24.557,1142 3.454,1143 14.644,1144 18.181,1145 0.674,1146 29.591,1147 14.681,1148 2.068,1149 6.904,1150 26.354,1151 3.126,1152 15.727,1153 19.617,1154 0.806,1155 31.857,1156 15.782,1157 1.851,1158 5.998,1159 28.158,1160 2.609,1161 16.749,1162 20.869,1163 0.666,1164 34.098,1165 16.839,1166 27058,1167 37163,1168 27.504,1169 51.148,1170 57.704,1171 58.52,1172 58.174,1173 57.236,1174 57.165,1175 71.011,1176 6.027,1177 148.71,1178 55.922,1179 5.344,1180 5.582,1181 6.257,1182 5.052,1183 4.986,1184 6.94,1185 1.855,1186 16.431,1187 5.038,1188 11.892,1189 1.443,1190 1.463,1191 1.454,1192 1.431,1193 1.429,1194 1.775,1195 0.151,1196 3.718,1197 1.398,1198 4.023,1199 4.051,1200 3.967,1201 3.953,1202 7.427,1203 3.952,1204 3.912,1205 3.942,1206 3.841,1207 3.847,1208 4.843,1209 3.841,1210 3.874,1211 3.938,1212 3.778,1213 3.778,1214 4.76,1215 3.774,1216 3.838,1217 3.868,1218 3.73,1219 3.716,1220 4.688,1221 3.709,1222 3.693,1223 3.757,1224 3.53,1225 3.566,1226 4.353,1227 3.547,1228 3.517,1229 3.589,1230 3.398,1231 3.324,1232 4.303,1233 3.333,1234 3.421,1235 3.492,1236 3.253,1237 3.247,1238 4.181,1239 3.236,1240 3.212,1241 3.242,1242 3.118,1243 3.054,1244 4.02,1245 3.064,1246 0.109,1247 0.09,1248 0.16,1249 0.1,1250 0.075,1251 4.344,1252 0.099,1253 3.582,1254 0.025,1255 6.393,1256 0.242,1257 4.004,1258 0.076,1259 2.986,1260 3.94,1261 0.995,1262 9.678,1263 3.038,1264 1.974,1265 1.955,1266 2.078,1267 2.063,1268 1.431,1269 2.069,1270 1.912,1271 1.883,1272 2.073,1273 2.034,1274 1.336,1275 2.052,1276 1.85,1277 1.817,1278 2.035,1279 2.005,1280 1.235,1281 2.015,1282 1.837,1283 1.78,1284 1.987,1285 1.939,1286 1.141,1287 1.953,1288 1.715,1289 1.653,1290 1.944,1291 1.871,1292 1.071,1293 1.903,1294 1.48,1295 1.41,1296 1.73,1297 1.707,1298 1.026,1299 1.718,1300 1.425,1301 1.354,1302 1.716,1303 1.635,1304 0.844,1305 1.667,1306 1.159,1307 1.128,1308 1.513,1309 1.377,1310 0.825,1311 1.429,1312 4.394,1314 5.652,1316 7.098,1318 8.623,1320 10.189,1322 2.117,1328 15.316,1330 5.912,1333 4.892,1340 47.008,1341 101.056,1342 228.499,1343 323.306,1344 384.45,1345 411.469,1346 421.734,1347 69.007,1348 7.928,1349 32.78,1350 32.78,1351 24,1352 12.373,1353 4.322,1354 3.459,1355 65.618,1356 249,1357 252,1358 0.121,1359 290.051,1360 510.5,1361 699.485,1362 41294,1364 25.711,1365 0.695,1366 0.606,1367 25.711,1368 22.409,1369 18.17,1370 0.454,1371 0.35,1372 13.87,1373 17.756,1374 13.507,1375 11.282,1376 18.17,1377 13.986,1378 15.35,1379 0.301,1380 0.203,1381 15.35,1382 10.373,1383 12.416,1384 0.2,1385 0.116,1386 12.416,1387 7.167,1388 9.867,1389 0.133,1390 0.068,1391 9.867,1392 5.057,1393 7.683,1394 0.087,1395 0.04,1396 7.683,1397 3.481,1398 0.205,1399 111.814,1400 0.191,1401 35.691,1402 0.296,1403 182,1404 418.761,1405 191.477,1406 410.9,1407 563.29,1408 388,1409 204,1410 403.964,1411 214.644,1412 416.68,1413 600.51,1414 391,1415 6.678}
{0 CHEMBL1773490,1 1.27,2 19.811,3 7.722,4 59.632,5 157.079,6 6.183,7 0.462,8 4.423,9 4.559,10 3.822,11 3.968,12 5.371,13 3.898,14 4.991,15 5.205,16 4.086,17 4.332,18 5.843,19 4.228,20 5.256,21 5.502,22 4.147,23 4.483,24 6.083,25 4.343,26 5.354,27 5.627,28 4.073,29 4.49,30 6.161,31 4.321,32 5.332,33 5.612,34 3.999,35 4.476,36 6.091,37 4.291,38 5.303,39 5.597,40 3.93,41 4.428,42 6.024,43 4.228,44 5.179,45 5.466,46 3.869,47 4.311,48 5.923,49 4.128,50 5.044,51 5.304,52 3.842,53 4.212,54 5.865,55 4.056,56 0.086,57 1.08,58 19.345,59 8.215,60 12.152,61 11.583,62 0.262,63 1.755,64 34.183,65 12.877,66 26.285,67 18.722,68 0.322,69 2.137,70 43.927,71 17.012,72 43.633,73 24.449,74 0.387,75 2.252,76 48.19,77 18.436,78 56.649,79 26.528,80 0.343,81 2.205,82 46.667,83 18.458,84 48.874,85 26.578,86 0.389,87 2.111,88 44.943,89 18.285,90 48.581,91 26.339,92 0.33,93 1.863,94 39.956,95 15.973,96 40.46,97 22.891,98 0.328,99 1.644,100 35.389,101 13.846,102 38.593,103 19.628,104 30,105 49,106 0.194,107 0.448,108 0.659,109 0.772,110 0.818,111 0.822,112 3.641,113 1.069,114 -6.67,115 -6.49,116 -6.02,121 40.7,122 2,123 5,126 1,127 6,144 13,145 4,146 1,159 1,176 20,180 10,187 20,192 12,200 14,206 11,214 15,219 5,227 19,231 1,232 3,239 21,243 1,244 3,251 19,255 1,256 5,264 16,269 5,277 11,281 3389,282 25.413,283 25.413,284 25.413,285 25.413,286 25.413,287 23.186,288 25.555,289 15.707,290 25.812,291 19.149,292 19.149,293 19.149,294 19.149,295 19.149,296 15.841,297 31.008,298 7.385,299 19.683,300 5.07,301 3.409,302 2.032,303 1.29,304 0.991,305 0.966,306 4.327,313 1523,314 4.848,318 470.371,325 3.654,326 20.495,329 0.5,330 0.5,331 0.5,332 0.8,333 1,334 0.5,335 0.5,336 0.61,337 77,338 733,339 4.344,340 3.582,341 6.393,342 4.004,343 2.986,344 3.94,345 0.995,346 9.678,347 3.038,348 3.993,349 3.036,350 5.584,351 3.659,352 2.689,353 3.569,354 0.86,355 7.674,356 2.614,357 3.917,358 2.873,359 5.428,360 3.517,361 2.541,362 3.454,363 0.8,364 7.157,365 2.495,366 3.749,367 2.781,368 5.32,369 3.382,370 2.446,371 3.126,372 0.359,373 6.904,374 2.33,375 3.446,376 2.676,377 5.271,378 3.366,379 2.408,380 2.609,382 6.644,383 2.251,384 3.357,385 2.241,386 5.088,387 3.028,388 2.068,389 2.446,391 5.998,392 1.977,393 3.111,394 2.071,395 4.628,396 2.838,397 1.859,398 2.247,400 4.956,401 1.821,402 2.847,403 1.865,404 3.873,405 2.778,406 1.797,407 1.874,409 3.706,410 1.751,411 2.785,412 1.812,413 3.724,414 2.414,415 1.436,416 1.843,418 3.004,419 1.4,420 2.54,421 1.548,422 3.566,423 2.378,424 1.388,425 1.5,427 2.952,428 1.371,429 2.5,430 1.486,431 3.503,432 2,433 1,434 1.5,436 2.337,437 1,438 2.5,439 1.105,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.5,448 1,449 3.414,450 2,451 1,452 1.494,454 2.275,455 1,456 2.418,457 1,458 3.247,459 1.999,460 0.993,461 1.323,463 2.136,464 0.986,465 1.941,466 1,467 3.09,468 1.825,469 0.825,470 0.913,472 1.794,473 0.819,474 17.967,475 0.486,476 0.588,477 0.016,478 41.75,479 1.128,480 20,481 0.541,482 21.75,483 0.588,484 36.76,485 0.994,486 41.433,487 0.512,488 31.733,489 0.858,490 8.048,491 0.218,492 10.036,493 0.271,494 0.102,496 0.212,501 0.784,502 1.38,503 0.995,504 1.228,505 0.643,506 1.142,507 1.266,508 1.066,509 1.085,510 1.018,511 0.697,512 1.021,513 1.149,514 1.075,515 1.037,516 1.056,517 0.79,518 1.037,519 1.228,520 1,521 1.013,522 0.988,523 1.248,524 0.985,525 0.973,526 0.96,527 0.992,528 0.979,529 1.103,530 0.986,531 0.556,532 0.918,533 0.881,534 0.951,535 0.506,536 0.944,537 0.824,538 0.91,539 0.889,540 0.934,541 0.882,542 0.923,543 1.206,544 0.974,545 0.987,546 0.992,547 1.212,548 0.98,549 6,550 0.194,551 2.889,552 1.813,553 1.236,554 0.743,555 0.625,556 0.342,557 0.238,558 0.219,559 26897,560 50829,561 2.026,562 54.3,563 6,564 28,569 10,572 1.771,573 1.93,574 4.226,575 -0.885,582 102.848,583 1.27,584 2.931,585 4.308,586 5.049,587 5.349,588 5.374,589 3.769,590 4.723,591 5.171,592 4.468,593 2975.7,594 9.05,595 57361.9,600 513.528,601 1.207,602 5.157,603 0.154,604 0.006,605 0.059,606 0.036,607 0.027,608 0.018,609 0.016,610 0.009,611 0.007,612 0.007,613 0.339,614 0.33,615 0.63,616 1.982,617 214.988,618 0.05,619 -0.155,620 0.051,621 -0.064,622 0.004,623 -0.017,624 -0.099,625 0.075,626 -0.038,627 0.014,628 0.023,629 0.001,630 -0.034,631 -0.035,632 -0.023,633 -0.045,634 0.109,635 -0.033,636 -0.052,637 -0.018,638 -0.011,639 -0.009,640 0.034,641 -0.007,642 -0.043,643 0.015,644 -0.013,645 0.007,646 -0.049,647 0.001,648 0.155,649 0.029,650 0.072,651 0.035,652 0.111,653 0.047,654 0.088,655 0.042,656 0.083,657 0.05,658 0.034,659 0.063,660 0.045,661 0.006,662 0.022,663 0.005,664 0.001,665 0.01,666 1.625,667 5.944,668 0.486,669 70.026,670 0.98,671 1.125,672 5.444,673 29.639,674 0.641,675 3.689,676 3.912,677 4.094,678 4.234,679 4.382,680 4.369,681 4.477,682 4.533,683 4.543,684 4.654,685 11.438,686 0.587,687 500.79,688 3.689,689 5.176,690 5.974,691 6.792,692 7.603,693 8.429,694 9.248,695 10.079,696 10.904,697 11.74,698 2.5,701 2,715 13,720 5,722 18,727 1,739 1,741 81,743 19,744 3,745 39,747 83,748 33,749 18,750 5,751 13,752 1,756 3,757 3,763 2,770 5,772 19,773 14,777 1,782 1,786 1,793 44,794 4,796 4,802 2,808 1,809 2,829 3,855 2,859 3,864 3,868 37,876 11,878 1,881 2,893 2.5,896 1,898 1,901 19.167,902 15.067,903 8.639,904 5.464,907 3.07,908 1.398,909 0.944,910 12.56,911 10.783,912 3.912,913 4.376,914 4.854,915 5.31,916 5.799,917 5.858,918 6.159,919 6.383,920 6.621,921 7.006,922 1,923 50,924 13.75,926 5.491,927 0.026,929 7.473,931 27.269,933 21.627,936 1.973,937 73,941 517.928,942 200.151,943 6.249,945 36.145,948 200.151,949 554.073,950 6.249,951 26.047,952 27.794,953 123.191,954 30.278,955 35.234,957 517.928,959 517.928,960 206.399,961 36.145,964 400.217,965 153.856,968 51.693,969 154.707,972 517.928,973 42.393,974 200.151,977 517.928,978 50.913,979 155.487,981 36.145,982 517.928,983 42.393,984 200.151,986 0.554,987 0.315,988 0.158,989 0.079,990 17,991 8,992 0.205,993 17,995 1,996 5.102,997 303.625,999 18,1000 176.75,1005 28.787,1006 16.144,1007 10.245,1009 42.393,1010 25.979,1015 4.724,1018 760.473,1019 49,1024 12.944,1028 0.042,1031 79.414,1032 91.135,1034 0.2,1035 0.462,1036 0.679,1037 0.796,1038 0.844,1039 0.848,1040 5.097,1041 1.797,1042 5.894,1043 4.956,1044 4.595,1045 5.063,1046 1.702,1047 6.578,1048 4.55,1049 6.228,1050 1.436,1051 7.373,1052 3.706,1053 3.892,1054 4.527,1055 0.57,1056 7.231,1057 3.823,1058 7.472,1059 1.388,1060 8.95,1061 3.004,1062 6.066,1063 7.085,1064 1.388,1065 10.273,1066 5.985,1067 8.75,1068 1,1069 10.588,1070 2.952,1071 6.217,1072 7.397,1073 0.674,1074 11.782,1075 6.135,1076 10.063,1077 1,1078 12.266,1079 2.337,1080 7.784,1081 9.397,1082 1.19,1083 14.314,1084 7.694,1085 11.4,1086 1,1087 13.973,1088 2.275,1089 8.356,1090 10.122,1091 0.694,1092 16.202,1093 8.286,1094 12.755,1095 0.993,1096 15.702,1097 2.275,1098 9.649,1099 11.856,1100 1.049,1101 18.557,1102 9.576,1103 2.986,1104 0.825,1105 17.447,1106 2.136,1107 10.447,1108 12.814,1109 0.692,1110 20.632,1111 10.405,1112 2.689,1113 9.678,1114 19.206,1115 1.794,1116 11.61,1117 14.396,1118 0.944,1119 22.926,1120 11.573,1121 2.541,1122 7.674,1123 20.976,1124 3.94,1125 12.531,1126 15.497,1127 0.684,1128 25.095,1129 12.53,1130 2.446,1131 7.157,1132 22.757,1133 3.569,1134 13.635,1135 16.988,1136 0.865,1137 27.368,1138 13.648,1139 2.408,1140 6.904,1141 24.547,1142 3.454,1143 14.624,1144 18.18,1145 0.674,1146 29.585,1147 14.672,1148 2.068,1149 6.644,1150 26.345,1151 3.126,1152 15.703,1153 19.617,1154 0.806,1155 31.852,1156 15.772,1157 1.859,1158 5.998,1159 28.149,1160 2.609,1161 16.73,1162 20.868,1163 0.666,1164 34.095,1165 16.832,1166 26343,1167 36566,1168 26.118,1169 51.91,1170 55.342,1171 56.293,1172 56.913,1173 54.984,1174 54.928,1175 68.78,1176 6.027,1177 142.24,1178 53.679,1179 5.302,1180 5.582,1181 6.285,1182 5.05,1183 4.986,1184 6.94,1185 1.855,1186 16.431,1187 5.038,1188 17.754,1189 1.419,1190 1.443,1191 1.459,1192 1.41,1193 1.408,1194 1.764,1195 0.155,1196 3.647,1197 1.376,1198 4.022,1199 4.048,1200 3.966,1201 3.952,1202 7.427,1203 3.952,1204 3.911,1205 3.942,1206 3.84,1207 3.847,1208 4.843,1209 3.841,1210 3.849,1211 3.892,1212 3.777,1213 3.778,1214 4.76,1215 3.774,1216 3.803,1217 3.857,1218 3.659,1219 3.662,1220 4.688,1221 3.649,1222 3.663,1223 3.736,1224 3.505,1225 3.491,1226 4.34,1227 3.484,1228 3.517,1229 3.59,1230 3.397,1231 3.325,1232 4.303,1233 3.333,1234 3.436,1235 3.509,1236 3.257,1237 3.267,1238 4.181,1239 3.251,1240 3.306,1241 3.407,1242 3.121,1243 3.123,1244 4.051,1245 3.089,1246 0.111,1247 0.092,1248 0.164,1249 0.103,1250 0.077,1251 4.344,1252 0.101,1253 3.582,1254 0.026,1255 6.393,1256 0.248,1257 4.004,1258 0.078,1259 2.986,1260 3.94,1261 0.995,1262 9.678,1263 3.038,1264 1.974,1265 1.955,1266 2.077,1267 2.063,1268 1.394,1269 2.068,1270 1.912,1271 1.883,1272 2.045,1273 2.007,1274 1.235,1275 2.019,1276 1.842,1277 1.817,1278 2.031,1279 1.98,1280 1.208,1281 2.001,1282 1.792,1283 1.729,1284 1.96,1285 1.932,1286 1.14,1287 1.944,1288 1.661,1289 1.587,1290 1.922,1291 1.858,1292 1.064,1293 1.886,1294 1.481,1295 1.411,1296 1.76,1297 1.707,1298 1.027,1299 1.72,1300 1.449,1301 1.374,1302 1.725,1303 1.655,1304 0.869,1305 1.691,1306 1.351,1307 1.256,1308 1.723,1309 1.584,1310 0.845,1311 1.638,1312 4.369,1314 5.617,1316 7.05,1318 8.565,1320 10.122,1322 6.577,1328 12.076,1330 5.897,1333 4.762,1340 47.535,1341 102.848,1342 237.372,1343 348.919,1344 408.999,1345 433.263,1346 435.263,1347 81.384,1348 7.713,1349 32.78,1350 32.78,1351 18,1352 12.312,1353 4.322,1354 3.459,1355 77.993,1356 251,1357 254,1358 0.144,1359 297.445,1360 522.86,1361 717.525,1362 30089,1364 26.296,1365 0.711,1366 0.621,1367 26.296,1368 22.995,1369 18.084,1370 0.464,1371 0.356,1372 13.785,1373 17.654,1374 13.333,1375 11.222,1376 18.084,1377 13.9,1378 14.883,1379 0.304,1380 0.201,1381 14.883,1382 9.851,1383 12.096,1384 0.205,1385 0.116,1386 12.096,1387 6.862,1388 9.265,1389 0.136,1390 0.068,1391 9.265,1392 4.591,1393 6.872,1394 0.087,1395 0.036,1396 6.872,1397 2.881,1398 0.244,1399 111.299,1400 0.196,1401 35.678,1402 0.352,1403 176,1404 412.761,1405 185.477,1406 405.042,1407 553.59,1408 382,1409 196,1410 395.964,1411 206.311,1412 408.369,1413 586.91,1414 383,1415 6.092}
{0 CHEMBL1773491,1 1.27,2 20.553,3 7.942,4 63.072,5 159.725,6 6.254,7 0.439,8 4.447,9 4.58,10 3.865,11 4.005,12 5.371,13 3.937,14 5.031,15 5.236,16 4.143,17 4.394,18 5.868,19 4.29,20 5.325,21 5.574,22 4.179,23 4.542,24 6.123,25 4.391,26 5.396,27 5.682,28 4.072,29 4.498,30 6.167,31 4.323,32 5.283,33 5.554,34 4.01,35 4.457,36 6.049,37 4.283,38 5.278,39 5.561,40 3.951,41 4.434,42 6.007,43 4.241,44 5.196,45 5.48,46 3.893,47 4.334,48 5.927,49 4.152,50 5.062,51 5.321,52 3.867,53 4.238,54 5.87,55 4.082,56 0.086,57 1.101,58 19.583,59 8.403,60 11.26,61 11.786,62 0.262,63 1.842,64 35.404,65 13.59,66 24.92,67 19.594,68 0.327,69 2.289,70 46.913,71 18.465,72 44.517,73 26.429,74 0.417,75 2.337,76 50.312,77 19.026,78 57.032,79 27.463,80 0.329,81 2.136,82 44.671,83 17.757,84 44.683,85 25.428,86 0.378,87 2.098,88 44.061,89 18.09,90 45.794,91 25.932,92 0.332,93 1.911,94 40.742,95 16.39,96 39.364,97 23.421,98 0.33,99 1.688,100 36.085,101 14.226,102 37.681,103 20.096,104 5,105 52,106 0.193,107 0.436,108 0.618,109 0.741,110 0.803,111 0.822,112 3.667,113 1.06,114 -6.47,115 -6.29,116 -5.84,121 41.5,123 8,126 1,127 6,144 13,145 4,146 1,159 1,176 22,180 10,187 21,192 13,200 14,206 11,214 14,219 5,227 20,231 1,232 3,239 22,243 1,244 3,251 20,255 1,256 5,264 17,269 5,277 12,281 3636,282 26.242,283 26.242,284 26.242,285 26.242,286 26.242,287 24.014,288 25.555,289 16.398,290 26.569,291 20.31,292 20.31,293 20.31,294 20.31,295 20.31,296 17.003,297 31.008,298 7.927,299 20.816,300 5.088,301 3.494,302 2.3,303 1.488,304 1.08,305 0.954,306 4.367,313 1675,314 4.359,318 649.515,325 3.711,326 19.992,329 0.5,330 0.5,331 0.5,332 0.8,333 1,334 0.5,335 0.5,336 0.61,337 79,338 781,339 4.344,340 3.582,341 6.393,342 4.004,343 2.986,344 3.94,345 0.995,346 9.678,347 3.038,348 3.993,349 3.036,350 5.584,351 3.659,352 2.689,353 3.569,354 0.86,355 7.674,356 2.614,357 3.917,358 2.873,359 5.428,360 3.517,361 2.541,362 3.454,363 0.8,364 7.157,365 2.495,366 3.749,367 2.83,368 5.34,369 3.451,370 2.522,371 3.126,372 0.359,373 6.965,374 2.344,375 3.522,376 2.676,377 5.32,378 3.382,379 2.408,380 2.609,382 6.904,383 2.329,384 3.357,385 2.241,386 5.088,387 3.028,388 2.068,389 2.522,391 5.998,392 1.977,393 3.111,394 2.072,395 4.628,396 2.851,397 1.866,398 2.247,400 4.956,401 1.839,402 2.86,403 1.869,404 3.885,405 2.784,406 1.807,407 1.876,409 3.736,410 1.754,411 2.785,412 1.819,413 3.735,414 2.552,415 1.566,416 1.854,418 3.241,419 1.541,420 2.594,421 1.627,422 3.648,423 2.382,424 1.391,425 1.588,427 2.999,428 1.376,429 2.502,430 1.486,431 3.564,432 2.313,433 1.341,434 1.5,436 2.82,437 1.298,438 2.5,439 1.458,440 3.434,441 2,442 1,443 1.5,445 2.319,446 1,447 2.5,448 1.077,449 3.414,450 2,451 1,452 1.5,454 2.275,455 1,456 2.5,457 1.045,458 3.414,459 2,460 1,461 1.416,463 2.275,464 1,465 2.34,466 1,467 3.247,468 1.985,469 1,470 1.288,472 2.136,473 0.983,474 18.467,475 0.486,476 0.588,477 0.015,478 42.75,479 1.125,480 20,481 0.526,482 22.75,483 0.599,484 37.738,485 0.993,486 42.133,487 0.514,488 31.748,489 0.835,490 8.005,491 0.211,492 10.665,493 0.281,494 0.045,496 0.206,501 0.775,502 1.341,503 0.971,504 1.193,505 0.595,506 1.111,507 1.245,508 1.095,509 1.114,510 1.055,511 0.682,512 1.059,513 1.065,514 1.119,515 1.044,516 1.096,517 0.753,518 1.071,519 1.226,520 0.92,521 0.958,522 0.906,523 1.203,524 0.91,525 1.03,526 0.968,527 1.009,528 0.986,529 1.155,530 0.994,531 0.582,532 0.959,533 0.925,534 0.995,535 0.522,536 0.988,537 0.824,538 0.912,539 0.895,540 0.937,541 0.876,542 0.927,543 1.202,544 0.975,545 0.991,546 0.995,547 1.204,548 0.984,549 5.5,550 0.182,551 2.667,552 1.625,553 1.227,554 0.722,555 0.604,556 0.323,557 0.221,558 0.205,559 31393,560 57421,561 2.1,562 53.7,563 8,564 28,569 8,572 1.777,573 2.036,574 4.276,575 -0.888,582 104.131,583 1.27,584 2.863,585 4.057,586 4.869,587 5.278,588 5.403,589 3.747,590 4.702,591 5.211,592 4.509,593 3169.74,594 9.125,595 62708,600 521.319,601 1.021,602 5.211,603 0.134,604 0.006,605 0.051,606 0.032,607 0.027,608 0.017,609 0.015,610 0.008,611 0.006,612 0.006,613 0.302,614 0.33,615 0.63,616 0.362,617 222.898,618 0.05,619 -0.133,620 0.061,621 -0.045,622 0.035,623 -0.001,624 -0.108,625 0.045,626 -0.077,627 -0.021,628 0.021,629 -0.038,630 -0.018,631 -0.097,632 -0.042,633 -0.09,634 0.111,635 -0.07,636 -0.044,637 0.046,638 0.04,639 0.051,640 0.058,641 0.053,642 -0.055,643 0.017,644 -0.023,645 0.005,646 -0.047,647 -0.004,648 0.147,650 0.035,651 0.001,652 0.106,653 0.009,654 0.087,655 0.04,656 0.078,657 0.047,658 0.04,659 0.059,660 0.043,661 0.002,662 0.016,664 0.01,665 0.004,666 1.62,667 5.965,668 0.632,669 72.809,670 0.981,671 1.124,672 5.235,673 27.409,674 0.645,675 3.738,676 3.97,677 4.159,678 4.331,679 4.5,680 4.443,681 4.543,682 4.595,683 4.605,684 4.71,685 11.76,686 0.592,687 512.8,688 3.738,689 5.231,690 6.033,691 6.855,692 7.669,693 8.497,694 9.317,695 10.15,696 10.975,697 11.81,698 2.4,701 2,715 13,720 5,722 18,727 1,739 1,741 82,743 19,744 3,745 41,747 85,748 34,749 18,750 5,751 13,752 1,756 4,757 4,767 3,770 8,772 19,773 15,777 1,782 1,786 1,793 44,794 4,796 4,802 2,808 1,809 2,829 4,855 2,859 4,864 1,868 38,876 14,878 1,881 2,893 2.4,896 1,898 1,901 18.667,902 14.567,903 8.639,904 5.464,907 3.073,908 1.386,909 0.963,910 11.583,911 11.042,912 3.951,913 4.413,914 4.885,915 5.344,916 5.829,917 5.875,918 6.171,919 6.393,920 6.629,921 7.011,922 0.929,923 51,924 14.153,926 5.781,927 0.026,929 7.434,931 28.305,933 23.139,936 1.934,937 73.5,941 517.928,942 190.104,943 6.249,945 36.145,948 190.104,949 554.073,950 6.249,951 8.396,952 35.397,953 123.191,954 30.278,955 35.234,957 517.928,959 517.928,960 196.353,961 36.145,964 423.76,965 130.314,968 41.646,969 154.707,972 517.928,973 42.393,974 190.104,977 517.928,978 58.516,979 137.836,981 36.145,982 517.928,983 42.393,984 190.104,986 0.557,987 0.311,988 0.163,989 0.086,990 20,991 8,992 0.176,993 15,995 1,996 5.32,997 321.077,999 24,1000 183.421,1005 28.234,1006 15.589,1007 9.805,1009 42.393,1010 26.038,1015 4.746,1018 750.426,1019 51,1024 12.965,1028 0.047,1031 80.414,1032 92.135,1034 0.2,1035 0.45,1036 0.638,1037 0.766,1038 0.83,1039 0.85,1040 5.145,1041 1.807,1042 5.948,1043 4.956,1044 4.654,1045 5.1,1046 1.702,1047 6.627,1048 4.611,1049 6.267,1050 1.566,1051 7.418,1052 3.736,1053 3.892,1054 4.527,1055 0.57,1056 7.231,1057 3.823,1058 7.506,1059 1.391,1060 8.986,1061 3.241,1062 6.116,1063 7.103,1064 1.388,1065 10.305,1066 6.037,1067 8.777,1068 1.341,1069 10.616,1070 2.999,1071 6.217,1072 7.397,1073 0.674,1074 11.794,1075 6.135,1076 10.085,1077 1,1078 12.289,1079 2.82,1080 7.828,1081 9.406,1082 1.19,1083 14.338,1084 7.736,1085 11.418,1086 1,1087 13.992,1088 2.319,1089 8.366,1090 10.124,1091 0.694,1092 16.217,1093 8.293,1094 12.771,1095 1,1096 15.717,1097 2.275,1098 9.688,1099 11.86,1100 1.049,1101 18.575,1102 9.608,1103 2.986,1104 1,1105 17.461,1106 2.275,1107 10.464,1108 12.815,1109 0.692,1110 20.645,1111 10.416,1112 2.689,1113 9.678,1114 19.219,1115 2.136,1116 11.644,1117 14.398,1118 0.944,1119 22.937,1120 11.596,1121 2.541,1122 7.674,1123 20.988,1124 3.94,1125 12.552,1126 15.498,1127 0.684,1128 25.104,1129 12.541,1130 2.522,1131 7.157,1132 22.768,1133 3.569,1134 13.663,1135 16.989,1136 0.865,1137 27.375,1138 13.664,1139 2.408,1140 6.965,1141 24.557,1142 3.454,1143 14.644,1144 18.181,1145 0.674,1146 29.591,1147 14.681,1148 2.068,1149 6.904,1150 26.354,1151 3.126,1152 15.727,1153 19.617,1154 0.806,1155 31.857,1156 15.783,1157 1.866,1158 5.998,1159 28.158,1160 2.609,1161 16.749,1162 20.869,1163 0.666,1164 34.098,1165 16.839,1166 29590,1167 40353,1168 28.197,1169 52.91,1170 58.969,1171 59.854,1172 59.452,1173 58.614,1174 58.548,1175 72.402,1176 6.027,1177 151.504,1178 57.3,1179 5.344,1180 5.582,1181 6.284,1182 5.051,1183 4.986,1184 6.94,1185 1.855,1186 16.431,1187 5.038,1188 12.15,1189 1.438,1190 1.46,1191 1.45,1192 1.43,1193 1.428,1194 1.766,1195 0.147,1196 3.695,1197 1.398,1198 4.024,1199 4.052,1200 3.967,1201 3.953,1202 7.427,1203 3.953,1204 3.912,1205 3.943,1206 3.841,1207 3.847,1208 4.843,1209 3.841,1210 3.875,1211 3.939,1212 3.778,1213 3.778,1214 4.76,1215 3.774,1216 3.84,1217 3.87,1218 3.732,1219 3.72,1220 4.688,1221 3.712,1222 3.718,1223 3.782,1224 3.556,1225 3.594,1226 4.352,1227 3.575,1228 3.524,1229 3.593,1230 3.403,1231 3.344,1232 4.307,1233 3.343,1234 3.48,1235 3.554,1236 3.307,1237 3.31,1238 4.181,1239 3.303,1240 3.243,1241 3.294,1242 3.144,1243 3.068,1244 4.066,1245 3.08,1246 0.106,1247 0.087,1248 0.156,1249 0.098,1250 0.073,1251 4.344,1252 0.096,1253 3.582,1254 0.024,1255 6.393,1256 0.236,1257 4.004,1258 0.074,1259 2.986,1260 3.94,1261 0.995,1262 9.678,1263 3.038,1264 1.974,1265 1.955,1266 2.079,1267 2.063,1268 1.434,1269 2.069,1270 1.912,1271 1.883,1272 2.074,1273 2.034,1274 1.359,1275 2.053,1276 1.851,1277 1.817,1278 2.035,1279 2.005,1280 1.235,1281 2.016,1282 1.838,1283 1.782,1284 2.003,1285 1.942,1286 1.145,1287 1.961,1288 1.741,1289 1.679,1290 1.951,1291 1.891,1292 1.125,1293 1.919,1294 1.508,1295 1.441,1296 1.79,1297 1.716,1298 1.05,1299 1.738,1300 1.474,1301 1.399,1302 1.724,1303 1.686,1304 0.846,1305 1.71,1306 1.203,1307 1.153,1308 1.513,1309 1.446,1310 0.825,1311 1.47,1312 4.419,1314 5.673,1316 7.114,1318 8.635,1320 10.198,1322 2.118,1328 16.76,1330 5.919,1333 4.907,1340 48.535,1341 104.131,1342 234.773,1343 332.684,1344 399.28,1345 432.79,1346 443.055,1347 72.559,1348 7.969,1349 32.78,1350 32.78,1351 24,1352 12.382,1353 4.322,1354 3.459,1355 68.435,1356 266,1357 270,1358 0.118,1359 299.644,1360 527.8,1361 722.89,1362 44313,1364 26.418,1365 0.695,1366 0.608,1367 26.418,1368 23.116,1369 18.67,1370 0.455,1371 0.353,1372 14.37,1373 18.256,1374 13.997,1375 11.699,1376 18.67,1377 14.486,1378 15.704,1379 0.302,1380 0.206,1381 15.704,1382 10.727,1383 12.666,1384 0.201,1385 0.118,1386 12.666,1387 7.417,1388 10.043,1389 0.134,1390 0.07,1391 10.043,1392 5.234,1393 7.808,1394 0.088,1395 0.041,1396 7.808,1397 3.606,1398 0.2,1399 114.814,1400 0.188,1401 36.572,1402 0.287,1403 186,1404 422.761,1405 195.477,1406 415.061,1407 569.05,1408 392,1409 208,1410 407.964,1411 218.644,1412 420.841,1413 606.27,1414 395,1415 6.959}
{0 CHEMBL1773492,1 1.295,2 19.026,3 7.544,4 56.91,5 158.823,6 6.668,7 0.585,8 4.379,9 4.503,10 3.854,11 3.962,12 5.4,13 3.906,14 4.914,15 5.106,16 4.155,17 4.326,18 5.853,19 4.248,20 5.167,21 5.379,22 4.219,23 4.479,24 6.095,25 4.367,26 5.285,27 5.536,28 4.132,29 4.485,30 6.168,31 4.338,32 5.259,33 5.523,34 4.087,35 4.476,36 6.098,37 4.319,38 5.213,39 5.478,40 4.03,41 4.438,42 6.044,43 4.271,44 5.091,45 5.345,46 3.927,47 4.319,48 5.946,49 4.157,50 4.939,51 5.182,52 3.875,53 4.164,54 5.845,55 4.031,56 0.068,57 0.995,58 16.963,59 7.483,60 11.827,61 10.254,62 0.219,63 1.655,64 30.33,65 11.806,66 24.902,67 16.615,68 0.29,69 2.026,70 39.575,71 15.774,72 42.454,73 21.878,74 0.355,75 2.198,76 45.271,77 17.906,78 57.958,79 25.029,80 0.303,81 2.161,82 43.816,83 17.771,84 50.897,85 25.188,86 0.357,87 2.043,88 41.724,89 17.464,90 50.867,91 24.7,92 0.339,93 1.793,94 36.978,95 15.483,96 44.716,97 21.659,98 0.199,99 1.537,100 31.696,101 13.041,102 36.497,103 18.057,104 24,105 54,106 0.199,107 0.452,108 0.628,109 0.747,110 0.8,111 0.804,112 3.667,113 0.987,114 -6.91,115 -6.72,116 -6.22,121 44.7,122 2,123 1,126 1,127 5,144 17,145 5,146 2,159 1,176 21,180 11,187 23,192 13,200 16,206 12,214 16,219 6,227 23,231 1,232 1,239 26,243 2,244 3,251 22,256 6,264 13,269 10,277 12,281 3356,282 26.049,283 26.049,284 26.049,285 26.049,286 26.049,287 23.098,288 28.44,289 15.618,290 26.432,291 20.115,292 20.115,293 20.115,294 20.115,295 20.115,296 15.746,297 34.112,298 7.321,299 20.651,300 4.953,301 3.299,302 2.152,303 1.375,304 1.03,305 1.003,306 4.363,313 1537,314 4.416,318 628.649,325 3.345,326 21.043,329 0.5,330 0.5,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.51,337 79,338 723,339 4.346,340 3.582,341 6.394,342 4.005,343 2.988,344 3.943,345 0.995,346 9.679,347 3.038,348 4.086,349 3.075,350 5.629,351 3.69,352 2.73,353 3.675,354 0.86,355 7.811,356 2.631,357 3.973,358 3.036,359 5.578,360 3.649,361 2.678,362 3.539,363 0.8,364 7.662,365 2.606,366 3.908,367 2.843,368 5.408,369 3.511,370 2.534,371 3.453,372 0.359,373 7.115,374 2.493,375 3.752,376 2.677,377 5.352,378 3.418,379 2.454,380 3.132,382 6.98,383 2.353,384 3.509,385 2.617,386 5.232,387 3.303,388 2.351,389 2.771,391 6.553,392 2.216,393 3.38,394 2.314,395 5.137,396 3.091,397 2.125,398 2.538,400 6.209,401 2.041,402 3.266,403 2.22,404 4.896,405 2.925,406 1.962,407 2.393,409 5.612,410 1.883,411 3.099,412 1.918,413 4.627,414 2.759,415 1.783,416 2.243,418 4.948,419 1.733,420 2.785,421 1.809,422 3.711,423 2.38,424 1.389,425 1.867,427 2.998,428 1.374,429 2.5,430 1.486,431 3.563,432 2,433 1,434 1.5,436 2.321,437 1,438 2.5,439 1,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.5,448 1,449 3.414,450 2,451 1,452 1.5,454 2.275,455 1,456 2.5,457 1,458 3.414,459 2,460 1,461 1.5,463 2.275,464 1,465 2.497,466 1,467 3.247,468 1.964,469 0.925,470 1.35,472 2.136,473 0.951,474 18.467,475 0.486,476 0.724,477 0.019,478 48.75,479 1.283,480 26,481 0.684,482 22.75,483 0.599,484 33.189,485 0.873,486 40.333,487 0.531,488 39.158,489 1.03,490 9.847,491 0.259,492 8.687,493 0.229,494 0.099,496 0.26,501 0.766,502 1.264,503 0.898,504 1.109,505 0.648,506 1.028,507 1.159,508 1.001,509 0.988,510 0.947,511 0.662,512 0.936,513 1.272,514 1.103,515 1.078,516 1.087,517 0.851,518 1.066,519 1.233,520 1.025,521 1.023,522 1.006,523 1.277,524 1.001,525 0.856,526 0.93,527 0.937,528 0.938,529 1.08,530 0.942,531 0.579,532 0.925,533 0.908,534 0.966,535 0.558,536 0.965,537 0.757,538 0.96,539 0.962,540 1.017,541 0.956,542 1.014,543 1.02,544 1.058,545 0.911,546 1.057,547 0.975,548 0.992,549 7.5,550 0.194,551 3.333,552 1.938,553 1.698,554 0.868,555 0.765,556 0.528,557 0.295,558 0.295,559 28449,560 58504,561 2.069,562 50,564 30,569 8,572 1.779,573 1.966,574 4.173,575 -0.888,582 98.448,583 1.295,584 2.949,585 4.096,586 4.873,587 5.218,588 5.244,589 3.681,590 4.649,591 5.212,592 4.398,593 3091.53,594 9.135,595 58375.2,600 474.842,601 1.267,602 5.192,603 0.183,604 0.005,605 0.062,606 0.035,607 0.035,608 0.018,609 0.017,610 0.013,611 0.008,612 0.008,613 0.384,614 0.33,615 0.63,616 1.118,617 220.152,618 0.043,619 -0.134,620 0.058,621 -0.048,622 -0.024,623 -0.004,624 -0.071,625 0.116,626 0.007,627 0.042,628 0.035,629 0.04,630 -0.067,631 -0.066,632 -0.079,633 -0.092,634 0.078,635 -0.085,636 -0.059,637 -0.046,638 -0.023,639 -0.024,640 0.012,641 -0.022,642 -0.017,643 0.049,644 0.04,645 0.049,646 -0.04,647 0.05,648 0.147,649 0.034,650 0.058,651 0.034,652 0.087,653 0.039,654 0.139,655 -0.005,656 0.014,657 -0.014,658 -0.009,659 -0.013,660 0.073,661 -0.098,662 0.08,663 -0.057,664 0.093,665 0.002,666 1.654,667 6.026,668 0.632,669 66.698,670 0.984,671 1.117,672 5.682,673 32.282,674 0.666,675 3.738,676 4.007,677 4.22,678 4.394,679 4.595,680 4.595,681 4.727,682 4.844,683 4.89,684 5.004,685 10.893,686 0.618,687 506.74,688 3.738,689 5.252,690 6.071,691 6.911,692 7.74,693 8.584,694 9.418,695 10.264,696 11.102,697 11.949,698 2.6,701 2,715 17,720 7,722 24,727 1,739 1,741 76,743 25,744 4,745 41,747 79,748 34,749 24,750 7,751 17,752 1,756 4,757 4,763 2,770 1,772 25,773 9,777 1,782 1,786 1,793 38,794 4,796 4,802 2,808 1,809 2,829 4,855 2,859 4,864 3,868 38,876 6,878 1,881 2,893 2.6,896 1,898 1,901 19.333,902 14.4,903 8.639,904 4.853,907 4.155,908 1.508,909 0.972,910 10.002,911 12.337,912 4.007,913 4.543,914 5.059,915 5.554,916 6.085,917 6.162,918 6.512,919 6.865,920 7.173,921 7.576,922 0.923,923 55,924 14.072,926 5.746,927 0.026,929 7.522,931 27.565,933 22.094,936 2.022,937 76.833,941 447.302,942 231.754,943 6.249,945 36.145,948 231.754,949 483.447,950 6.249,951 26.047,952 13.063,953 161.096,954 30.278,955 43.663,957 447.302,959 447.302,960 238.003,961 36.145,964 353.133,965 130.314,968 36.962,969 201.041,972 447.302,973 42.393,974 231.754,977 447.302,978 44.611,979 193.392,981 36.145,982 447.302,983 42.393,984 231.754,986 0.567,987 0.327,988 0.165,989 0.086,990 22,991 10,992 0.165,993 13,995 1,996 5.103,997 334.799,999 24,1000 179.421,1005 27.476,1006 13.833,1007 8.222,1009 42.393,1010 33.995,1015 6.628,1018 721.45,1019 54,1024 13.026,1028 0.012,1031 74.763,1032 84.889,1034 0.207,1035 0.472,1036 0.656,1037 0.78,1038 0.835,1039 0.839,1040 5.209,1041 1.962,1042 6.019,1043 6.209,1044 4.691,1045 5.231,1046 1.702,1047 6.739,1048 4.646,1049 6.378,1050 1.783,1051 7.522,1052 5.612,1053 4.111,1054 4.783,1055 0.57,1056 7.441,1057 4.035,1058 7.646,1059 1.389,1060 9.118,1061 4.948,1062 6.209,1063 7.32,1064 1.388,1065 10.464,1066 6.125,1067 8.945,1068 1,1069 10.766,1070 2.998,1071 6.431,1072 7.656,1073 0.674,1074 11.963,1075 6.335,1076 10.272,1077 1,1078 12.449,1079 2.321,1080 7.958,1081 9.656,1082 1.19,1083 14.485,1084 7.855,1085 11.618,1086 1,1087 14.156,1088 2.275,1089 8.564,1090 10.378,1091 0.694,1092 16.347,1093 8.466,1094 12.98,1095 1,1096 15.88,1097 2.275,1098 9.836,1099 12.116,1100 1.049,1101 18.691,1102 9.736,1103 2.988,1104 0.925,1105 17.619,1106 2.275,1107 10.646,1108 13.062,1109 0.692,1110 20.742,1111 10.563,1112 2.73,1113 9.679,1114 19.37,1115 2.136,1116 11.797,1117 14.649,1118 0.944,1119 23.023,1120 11.719,1121 2.678,1122 7.811,1123 21.131,1124 3.943,1125 12.72,1126 15.736,1127 0.684,1128 25.174,1129 12.664,1130 2.534,1131 7.662,1132 22.901,1133 3.675,1134 13.815,1135 17.229,1136 0.865,1137 27.436,1138 13.772,1139 2.454,1140 7.115,1141 24.681,1142 3.539,1143 14.8,1144 18.408,1145 0.674,1146 29.641,1147 14.783,1148 2.351,1149 6.98,1150 26.468,1151 3.453,1152 15.873,1153 19.844,1154 0.806,1155 31.899,1156 15.874,1157 2.125,1158 6.553,1159 28.262,1160 3.132,1161 16.893,1162 21.083,1163 0.666,1164 34.132,1165 16.922,1166 27204,1167 39275,1168 27.622,1169 50.626,1170 59.705,1171 60.527,1172 61.183,1173 59.184,1174 59.129,1175 77.315,1176 6.027,1177 159.821,1178 57.833,1179 5.214,1180 5.582,1181 6.196,1182 5.066,1183 4.988,1184 6.943,1185 1.855,1186 16.434,1187 5.038,1188 17.853,1189 1.456,1190 1.476,1191 1.492,1192 1.444,1193 1.442,1194 1.886,1195 0.147,1196 3.898,1197 1.411,1198 4.034,1199 4.058,1200 3.979,1201 3.962,1202 7.427,1203 3.963,1204 3.931,1205 3.962,1206 3.865,1207 3.859,1208 4.929,1209 3.856,1210 3.906,1211 3.936,1212 3.836,1213 3.846,1214 4.763,1215 3.839,1216 3.821,1217 3.853,1218 3.751,1219 3.762,1220 4.697,1221 3.756,1222 3.7,1223 3.771,1224 3.564,1225 3.511,1226 4.635,1227 3.513,1228 3.514,1229 3.587,1230 3.396,1231 3.321,1232 4.314,1233 3.33,1234 3.306,1235 3.407,1236 3.182,1237 3.147,1238 4.186,1239 3.139,1240 3.302,1241 3.365,1242 3.066,1243 3.123,1244 4.128,1245 3.089,1246 0.106,1247 0.087,1248 0.156,1249 0.098,1250 0.073,1251 4.346,1252 0.096,1253 3.582,1254 0.024,1255 6.394,1256 0.236,1257 4.005,1258 0.074,1259 2.988,1260 3.943,1261 0.995,1262 9.679,1263 3.038,1264 1.978,1265 1.959,1266 2.078,1267 2.067,1268 1.277,1269 2.071,1270 1.926,1271 1.899,1272 2.054,1273 2.03,1274 1.235,1275 2.04,1276 1.905,1277 1.877,1278 2.029,1279 1.993,1280 1.141,1281 2.006,1282 1.826,1283 1.799,1284 1.953,1285 1.925,1286 1.093,1287 1.937,1288 1.672,1289 1.597,1290 1.91,1291 1.869,1292 1.05,1293 1.886,1294 1.477,1295 1.405,1296 1.725,1297 1.703,1298 0.869,1299 1.715,1300 1.351,1301 1.256,1302 1.724,1303 1.584,1304 0.846,1305 1.638,1306 1.311,1307 1.245,1308 1.609,1309 1.509,1310 0.813,1311 1.546,1312 4.419,1314 5.7,1316 7.171,1318 8.717,1320 10.3,1322 6.504,1328 5.965,1330 6.011,1333 4.693,1340 46.955,1341 98.448,1342 224.12,1343 311.317,1344 370.313,1345 396.578,1346 398.578,1347 69.401,1348 8.182,1349 32.78,1350 32.78,1351 24,1352 12.511,1353 4.7,1354 3.807,1355 68.316,1356 248,1357 236,1358 0.13,1359 290.861,1360 508.98,1361 701.462,1362 52052,1364 26.744,1365 0.704,1366 0.599,1367 26.744,1368 22.769,1369 18.534,1370 0.452,1371 0.329,1372 13.381,1373 18.115,1374 12.921,1375 10.841,1376 18.534,1377 13.49,1378 15.884,1379 0.294,1380 0.18,1381 15.884,1382 9.731,1383 13.237,1384 0.198,1385 0.102,1386 13.237,1387 6.851,1388 10.337,1389 0.129,1390 0.057,1391 10.337,1392 4.553,1393 8.066,1394 0.082,1395 0.03,1396 8.066,1397 2.893,1398 0.217,1399 113.904,1400 0.19,1401 36.024,1402 0.322,1403 190,1404 460.761,1405 200.141,1406 456.562,1407 631.23,1408 430,1409 216,1410 463.782,1411 226.975,1412 478.085,1413 689.47,1414 449,1415 6.886}
{0 CHEMBL178132,1 1.444,2 11.259,3 4.852,4 23.538,5 105.389,6 6.915,7 0.4,8 4.062,9 4.178,10 3.575,11 3.588,12 5.082,13 3.56,14 4.644,15 4.818,16 3.996,17 4.022,18 5.656,19 3.977,20 4.896,21 5.081,22 4.056,23 4.206,24 5.847,25 4.127,26 5.051,27 5.29,28 3.928,29 4.196,30 5.973,31 4.075,32 4.955,33 5.202,34 3.732,35 4.007,36 5.913,37 3.87,38 4.758,39 5.044,40 3.522,41 3.698,42 5.64,43 3.584,44 4.313,45 4.503,46 3.518,47 3.538,48 5.408,49 3.497,50 4.436,51 4.635,52 3.522,53 3.571,54 5.663,55 3.518,56 0.024,57 0.739,58 11.962,59 5.188,60 8.958,61 6.899,62 0.42,63 1.227,64 23.17,65 8.782,66 37.145,67 12.034,68 0.204,69 1.546,70 29.706,71 11.549,72 31.214,73 15.752,74 0.348,75 1.685,76 36.248,77 12.85,78 49.941,79 18.129,80 0.35,81 1.438,82 33.449,83 11.906,84 55.435,85 16.58,86 0.505,87 1.114,88 28.82,89 8.956,90 49.575,91 12.786,92 0.266,93 0.838,94 17.165,95 5.596,96 26.129,97 7.647,98 0.421,99 0.889,100 19.965,101 6.181,102 57.025,103 8.417,104 27,105 45,106 0.241,107 0.57,108 0.751,109 0.826,110 0.835,111 0.835,112 3.34,113 0.946,114 -4.75,115 -4.66,116 -4.38,121 41.5,122 3,123 1,124 1,125 1,126 1,127 1,130 1,144 7,145 2,146 3,161 1,176 12,179 2,180 7,183 2,185 2,187 15,192 8,197 2,200 13,206 9,211 3,214 7,218 1,219 9,224 3,227 2,231 1,232 3,237 3,239 4,243 1,244 4,247 1,249 2,251 8,255 1,256 4,259 1,264 8,269 2,277 10,281 1065,282 17.841,283 17.841,284 17.841,285 17.841,286 17.841,287 16.326,288 27.725,289 10.103,290 18.228,291 14.757,292 14.757,293 14.757,294 14.757,295 14.757,296 12.345,297 34.881,298 4.738,299 15.376,300 4.284,301 2.323,302 1.239,303 0.788,304 0.736,305 0.736,306 4.031,311 1,312 1,313 668,314 3.808,317 112.162,318 150.531,320 90.264,321 95.25,324 133.089,325 1.824,326 21.609,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 58,338 304,339 4.809,340 3.969,341 7.956,342 4.681,343 3.705,344 4.198,345 2.186,346 15.054,347 3.62,348 4.126,349 3.675,350 6.181,351 3.791,352 2.803,353 3.691,354 1.138,355 8.774,356 2.777,357 3.955,358 2.992,359 5.943,360 3.62,361 2.665,362 3.291,363 0.643,364 8.251,365 2.538,366 3.735,367 2.761,368 5.931,369 3.46,370 2.499,371 2.989,372 0.366,373 7.84,374 2.394,375 3.557,376 2.726,377 5.528,378 3.297,379 2.352,380 2.776,382 7.278,383 2.208,384 3.33,385 2.459,386 5.268,387 3.007,388 2.064,389 2.482,391 6.529,392 1.932,393 3.098,394 2.361,395 4.624,396 2.74,397 1.771,398 2.202,400 4.89,401 1.695,402 2.52,403 1.616,404 4.198,405 2.226,406 1.239,407 1.526,409 3.026,410 1.222,411 2.5,412 1.314,413 3.771,414 2.163,415 1.206,416 1.5,418 2.912,419 1.15,420 2.451,421 1.15,422 3.701,423 2.013,424 1.061,425 1.44,427 2.634,428 1,429 2.201,430 1,431 3.648,432 2,433 1,434 1.189,436 2.275,437 0.999,438 1.69,439 0.985,440 3.414,441 1.547,442 0.625,443 0.653,445 1.636,446 0.572,447 1.273,448 0.735,449 3.03,450 0.998,451 0.075,452 0.086,454 0.204,455 0.069,456 1.191,457 0.391,458 2.965,459 0.782,460 -0.203,461 -0.26,463 -0.492,464 -0.197,465 0.704,466 -0.169,467 2.501,468 0.349,469 -0.6,470 -0.63,472 -1.548,473 -0.56,474 12.8,475 0.474,476 0.877,477 0.032,478 32.5,479 1.204,480 15,481 0.556,482 17.5,483 0.648,484 25.105,485 0.93,486 29.8,487 0.562,488 23.663,489 0.876,490 5.981,491 0.222,492 6.899,493 0.256,494 0.182,495 0.039,496 0.344,501 0.804,502 1.341,503 0.837,504 1.17,505 0.676,506 1.029,507 0.781,508 0.928,509 0.801,510 0.858,511 0.489,512 0.834,513 1.037,514 1.269,515 1.054,516 1.198,517 0.765,518 1.14,519 1.076,520 1.055,521 1.08,522 1.076,523 0.778,524 1.071,525 1.114,526 1.13,527 1.058,528 1.168,529 1.341,530 1.121,531 1.338,532 0.715,533 0.803,534 0.64,535 1.328,536 0.647,537 1.482,538 1.007,539 1.058,540 0.952,541 1.638,542 0.935,543 1.671,544 0.967,545 1.153,546 0.93,547 2.79,548 0.953,549 7,550 0.126,551 4.222,552 3.299,553 1.383,554 0.969,555 0.516,556 0.378,557 0.274,558 0.257,559 9407,560 20283,561 2.066,562 49.1,563 10,564 12,565 1,567 1,569 2,572 1.696,573 1.895,574 3.414,575 -0.382,582 76.506,583 1.444,584 3.405,585 4.488,586 4.94,587 4.992,588 4.992,589 2.876,590 4.385,591 4.727,592 3.643,593 1278.73,594 8.177,595 16607.5,597 1,600 303.58,601 1.675,602 4.66,603 0.233,604 0.006,605 0.094,606 0.072,607 0.036,608 0.033,609 0.021,610 0.015,611 0.011,612 0.012,613 0.533,614 0.33,615 1,616 0.803,617 134.865,618 -0.008,619 -0.143,620 0.071,621 -0.062,622 -0.07,623 0.005,624 0.258,625 0.186,626 0.166,627 0.172,628 0.219,629 0.156,630 -0.081,631 -0.201,632 -0.101,633 -0.163,634 -0.023,635 -0.141,636 -0.095,637 -0.056,638 -0.1,639 -0.103,640 0.032,641 -0.098,642 -0.002,643 -0.203,644 -0.06,645 -0.198,646 -0.044,647 -0.148,648 0.026,649 0.154,650 0.255,651 0.268,652 -0.017,653 0.29,654 -0.05,655 0.088,656 -0.028,658 -0.091,659 -0.009,660 -0.004,661 0.065,662 -0.091,663 0.003,664 -0.068,665 -0.044,666 2.15,667 5.304,668 0.667,669 23.786,670 0.996,671 1.125,672 3.52,673 12.394,674 0.651,675 3.434,676 3.829,677 4.143,678 4.443,679 4.635,680 4.727,681 4.875,682 4.92,683 4.905,684 4.984,685 6.791,686 0.613,687 366.5,688 3.434,689 5.017,690 5.9,691 6.819,692 7.724,693 8.65,694 9.567,695 10.499,696 11.425,697 12.362,698 3.8,704 1,705 1,715 7,720 5,722 12,736 1,737 1,741 53,743 13,744 2,745 30,747 56,748 22,749 12,750 5,751 7,756 4,757 7,763 3,764 1,766 1,767 1,770 1,772 13,773 9,774 1,777 1,782 1,786 1,793 26,794 5,795 1,796 5,802 2,808 0.5,809 3,815 1,828 2,829 2,831 1,832 1,835 1,858 1,859 2,864 4,868 27,876 2,877 1,878 2,880 2,881 1,882 1,893 5.7,896 1,897 1,898 1,901 14.25,902 10.7,903 5.736,904 3.289,907 2.196,908 1.285,909 0.956,910 4.647,911 9.901,912 3.638,913 4.22,914 4.749,915 5.292,916 5.782,917 5.966,918 6.283,919 6.484,920 6.539,921 6.777,922 1,923 46,924 10.025,926 4.319,927 0.026,929 7.627,931 19.472,933 16.534,936 2.127,937 57.417,939 1,940 1,941 294.278,942 132.223,943 21.135,945 47.145,948 132.223,949 341.422,950 21.135,951 34.872,952 25.138,953 66.334,954 36.145,955 31.252,956 18.534,957 282.506,959 294.278,960 153.358,961 47.145,964 270.735,965 59.687,966 11,968 51.613,969 101.745,972 294.278,973 68.28,974 132.223,977 294.278,978 31.017,979 104.33,980 18.011,981 47.145,982 294.278,983 68.28,984 132.223,986 0.601,987 0.359,988 0.191,989 0.098,990 24,991 11,992 0.071,993 4,994 2,995 1.222,996 3.854,997 236.542,998 0.222,999 18,1000 122.382,1005 18.33,1006 6.844,1007 3.214,1009 68.28,1010 13.649,1015 4.824,1017 18.011,1018 494.781,1019 37,1024 12.304,1028 -0.483,1031 52.789,1032 59.607,1034 0.252,1035 0.594,1036 0.784,1037 0.862,1038 0.871,1039 0.871,1040 4.934,1041 1.239,1042 5.948,1043 4.89,1044 4.511,1045 4.905,1046 2.539,1047 6.872,1048 4.436,1049 6.156,1050 1.206,1051 7.588,1052 3.026,1053 4.369,1054 4.808,1055 1.847,1056 8.22,1057 4.283,1058 7.493,1059 1.061,1060 9.346,1061 2.912,1062 6.252,1063 7.032,1064 3.585,1065 11.362,1066 6.12,1067 8.866,1068 1,1069 11.18,1070 2.634,1071 6.938,1072 7.688,1073 3.604,1074 13.624,1075 6.801,1076 10.274,1077 0.625,1078 13.068,1079 2.275,1080 8.378,1081 9.463,1082 4.933,1083 16.427,1084 8.21,1085 11.709,1086 0.075,1087 14.998,1088 1.636,1089 9.425,1090 10.468,1091 5.293,1092 19.007,1093 9.246,1094 13.166,1095 -0.203,1096 16.959,1097 0.204,1098 10.74,1099 12.058,1100 6.395,1101 21.739,1102 10.538,1103 3.705,1104 -0.6,1105 18.945,1106 -0.492,1107 11.939,1108 13.246,1109 6.931,1110 24.414,1111 11.721,1112 2.803,1113 15.054,1114 20.952,1115 -1.548,1116 13.23,1117 14.75,1118 7.904,1119 27.13,1120 12.99,1121 2.665,1122 8.774,1123 22.975,1124 4.198,1125 14.492,1126 16.041,1127 8.54,1128 29.831,1129 14.232,1130 2.499,1131 8.251,1132 25.009,1133 3.691,1134 15.785,1135 17.502,1136 9.436,1137 32.544,1138 15.503,1139 2.352,1140 7.84,1141 27.053,1142 3.291,1143 17.072,1144 18.851,1145 10.13,1146 35.252,1147 16.768,1148 2.064,1149 7.278,1150 29.105,1151 2.989,1152 18.371,1153 20.292,1154 10.982,1155 37.964,1156 18.045,1157 1.771,1158 6.529,1159 31.162,1160 2.776,1161 19.67,1162 21.674,1163 11.71,1164 40.675,1165 19.321,1166 8942,1167 13288,1168 19.592,1169 34.512,1170 46.423,1171 47.68,1172 48.383,1173 46.042,1174 46.133,1175 56.049,1176 8.666,1177 142.605,1178 44.349,1179 5.773,1180 5.969,1181 7.379,1182 5.775,1183 5.705,1184 7.198,1185 3.889,1186 23.395,1187 5.62,1188 15.105,1189 1.547,1190 1.589,1191 1.613,1192 1.535,1193 1.538,1194 1.868,1195 0.289,1196 4.753,1197 1.478,1198 4.08,1199 4.107,1200 4.029,1201 3.984,1202 7.435,1203 3.991,1204 3.947,1205 3.98,1206 3.881,1207 3.88,1208 4.869,1209 3.876,1210 3.669,1211 3.695,1212 3.589,1213 3.522,1214 4.745,1215 3.528,1216 3.536,1217 3.601,1218 3.411,1219 3.388,1220 4.595,1221 3.377,1222 3.347,1223 3.411,1224 3.229,1225 3.094,1226 4.219,1227 3.12,1228 3.242,1229 3.299,1230 3.087,1231 2.966,1232 4.128,1233 3,1234 3.107,1235 3.197,1236 2.886,1237 2.9,1238 3.906,1239 2.882,1240 2.874,1241 3.009,1242 2.687,1243 2.735,1244 3.855,1245 2.715,1246 0.16,1247 0.132,1248 0.265,1249 0.156,1250 0.123,1251 4.809,1252 0.14,1253 3.969,1254 0.073,1255 7.956,1256 0.502,1257 4.681,1258 0.121,1259 3.705,1260 4.198,1261 2.186,1262 15.054,1263 3.62,1264 1.94,1265 1.911,1266 2.069,1267 2.037,1268 1.31,1269 2.046,1270 1.901,1271 1.881,1272 2.003,1273 1.985,1274 1.252,1275 1.99,1276 1.624,1277 1.571,1278 1.83,1279 1.799,1280 1.031,1281 1.812,1282 1.541,1283 1.477,1284 1.796,1285 1.74,1286 0.909,1287 1.757,1288 1.39,1289 1.333,1290 1.659,1291 1.657,1292 0.858,1293 1.659,1294 1.194,1295 1.148,1296 1.538,1297 1.494,1298 0.631,1299 1.488,1300 1.105,1301 1.039,1302 1.417,1303 1.403,1304 0.469,1305 1.394,1306 0.934,1307 0.821,1308 1.267,1309 1.239,1310 0.365,1311 1.308,1312 4.111,1314 5.485,1315 3.045,1316 7.05,1317 5.587,1318 8.708,1319 7.84,1320 10.421,1322 8.548,1328 1.718,1329 2.793,1330 11.447,1332 0.511,1333 2.169,1334 -0.063,1340 32.509,1341 76.506,1342 180.463,1343 237.889,1344 261.805,1345 264.56,1346 264.56,1347 43.695,1348 7.705,1349 50.8,1350 50.8,1351 22,1352 12.862,1353 3.807,1354 3,1355 40.544,1356 111,1357 111,1358 0.179,1359 197.314,1360 347.81,1361 473.206,1362 23920,1364 19.181,1365 0.71,1366 0.603,1367 19.181,1368 16.282,1369 12.881,1370 0.429,1371 0.315,1372 9.336,1373 12.404,1374 8.959,1375 7.476,1376 12.881,1377 9.461,1378 12.414,1379 0.276,1380 0.177,1381 12.414,1382 7.972,1383 10.553,1384 0.17,1385 0.093,1386 10.553,1387 5.792,1388 9.048,1389 0.108,1390 0.05,1391 9.048,1392 4.169,1393 6.894,1394 0.068,1395 0.026,1396 6.894,1397 2.667,1398 0.286,1399 80.618,1400 0.226,1401 26.071,1402 0.478,1403 150,1404 395.185,1405 164.875,1406 376.619,1407 523.57,1408 354,1409 182,1410 395.525,1411 196.797,1412 400.113,1413 593.32,1414 375,1415 5.413}
{0 CHEMBL1782071,1 1.266,2 11.541,3 4.423,4 19.562,5 153.032,6 5.688,8 4.545,9 4.691,10 3.881,11 4.058,12 5.367,13 3.977,14 5.221,15 5.443,16 4.366,17 4.586,18 5.912,19 4.486,20 5.632,21 5.845,22 4.66,23 4.961,24 6.386,25 4.837,26 5.983,27 6.247,28 4.712,29 5.15,30 6.705,31 4.977,32 6.108,33 6.399,34 4.655,35 5.164,36 6.834,37 4.965,38 6.075,39 6.383,40 4.456,41 5.073,42 6.798,43 4.841,44 5.927,45 6.254,46 4.316,47 4.908,48 6.569,49 4.675,50 5.721,51 6.021,52 4.18,53 4.748,54 6.424,55 4.526,56 0.115,57 1.276,58 23.409,59 9.557,60 13.631,61 13.881,62 0.317,63 2.26,64 44.02,65 16.936,66 21.077,67 25.029,68 0.443,69 3.33,70 66.328,71 25.622,72 44.909,73 37.709,74 0.721,75 4.236,76 90.217,77 33.4,78 75.675,79 49.901,80 0.854,81 4.36,82 99.271,83 36.278,84 103.416,85 53.724,86 0.985,87 4.048,88 94.216,89 34.525,90 129.337,91 51.195,92 0.622,93 3.435,94 79.32,95 29.804,96 82.369,97 44.206,98 0.65,99 2.926,100 66.505,101 24.349,102 79.376,103 36.354,104 132,105 67,106 0.192,107 0.421,108 0.71,109 0.834,110 0.858,111 0.858,112 3.643,113 1.11,114 -5.88,115 -5.74,116 -5.34,121 35.6,122 7,123 6,124 5,125 3,126 2,127 2,129 3,137 1,138 1,158 1,160 1,176 20,179 1,180 10,185 2,187 32,192 13,197 2,200 35,206 15,209 1,211 5,214 31,219 12,224 2,227 32,231 1,232 9,235 1,237 2,239 27,244 5,249 2,251 22,255 2,256 10,261 2,264 14,269 6,274 2,277 8,281 2068,282 23.721,283 23.721,284 23.721,285 23.721,286 23.721,287 23.148,288 33.272,289 12.762,290 24.017,291 20.017,292 20.017,293 20.017,294 20.017,295 20.017,296 19.005,297 48.545,298 5.784,299 20.459,300 5.226,301 3.711,302 1.803,303 0.99,304 0.831,305 0.831,306 4.334,313 917,314 4.899,317 56.286,318 183.675,319 58.984,321 93.287,322 106.269,323 198.591,325 1.72,326 37.382,329 0.5,330 0.67,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.82,337 77.5,338 427,339 4.997,340 4.086,341 8.709,342 4.991,343 3.992,344 4.009,345 2.178,346 17.648,347 3.987,348 4.678,349 3.79,350 7.881,351 4.624,352 3.634,353 3.781,354 1.461,355 14.707,356 3.599,357 4.121,358 3.622,359 7.037,360 4.002,361 3.014,362 3.332,363 0.8,364 11.421,365 2.985,366 4.012,367 3.356,368 6.416,369 3.829,370 2.878,371 3.097,372 0.68,373 9.743,374 2.737,375 3.78,376 3.049,377 6.337,378 3.66,379 2.668,380 2.846,381 0.588,382 9.149,383 2.649,384 3.607,385 2.8,386 6.033,387 3.4,388 2.405,389 2.754,390 0.065,391 8.058,392 2.387,393 3.433,394 2.57,395 5.927,396 3.303,397 2.309,398 2.443,400 7.85,401 2.286,402 3.09,403 2.379,404 5.369,405 3.026,406 2.083,407 2.091,409 6.1,410 1.954,411 3.081,412 2.339,413 5.229,414 2.978,415 2.024,416 2.083,418 6.027,419 1.93,420 2.864,421 2.06,422 4.886,423 2.788,424 1.811,425 1.861,427 4.886,428 1.762,429 2.616,430 1.863,431 4.824,432 2.516,433 1.519,434 1.589,436 4.469,437 1.511,438 2.409,439 1.536,440 4.269,441 2.271,442 1.267,443 1.355,445 3.501,446 1.268,447 2.162,448 1.364,449 3.94,450 1.908,451 0.938,452 1.055,454 2.316,455 0.905,456 1.982,457 1.23,458 3.839,459 1.888,460 0.925,461 0.959,463 2.299,464 0.888,465 1.655,466 0.739,467 3.486,468 1.514,469 0.537,470 0.564,472 1.135,473 0.523,474 17.867,475 0.483,476 1.564,477 0.042,478 27,479 0.73,480 4,481 0.108,482 23,483 0.622,484 70.121,485 1.895,486 44.533,487 0.495,488 17.521,489 0.474,490 3.299,491 0.089,492 13.98,493 0.378,494 0.289,495 0.084,496 0.353,501 0.822,502 1.504,503 1.09,504 1.332,505 0.819,506 1.248,507 0.884,508 1.021,509 0.926,510 0.954,511 0.627,512 0.935,513 1.065,514 1.294,515 1.152,516 1.229,517 1.007,518 1.201,519 0.996,520 1.171,521 1.146,522 1.18,523 0.879,524 1.169,525 1.262,526 1.016,527 1.059,528 1.037,529 1.321,530 1.035,531 1.138,532 0.96,533 1.046,534 0.998,535 1.3,536 1.017,537 0.847,538 0.865,539 0.849,540 0.883,541 0.979,542 0.872,543 1.027,544 1.075,545 1.045,546 1.06,547 1.274,548 1.062,549 11.5,550 0.408,551 8.667,552 6.174,553 4.729,554 2.671,555 1.452,556 1.076,557 0.657,558 0.574,559 17156,560 27443,561 1.985,562 58.9,563 23,564 14,567 1,568 4,569 10,570 1,572 1.786,573 1.755,574 3.469,575 -0.472,582 113.932,583 1.266,584 2.781,585 4.689,586 5.502,587 5.661,588 5.661,589 2.915,590 4.939,591 5.18,592 3.623,593 2412.88,594 9.144,595 35505.3,600 584.267,601 1.854,602 5.067,603 0.28,604 0.011,605 0.129,606 0.072,607 0.056,608 0.035,609 0.024,610 0.02,611 0.014,612 0.014,613 0.656,614 0.33,615 0.63,616 1.096,617 197.074,618 0.016,619 -0.11,620 0.068,622 -0.086,623 0.03,624 0.019,625 0.217,626 0.168,627 0.205,628 0.011,629 0.201,630 -0.064,631 -0.071,632 -0.056,633 -0.055,634 -0.061,635 -0.055,636 -0.03,637 -0.07,638 -0.109,639 -0.119,640 0.004,641 -0.118,642 -0.069,643 -0.031,644 -0.051,645 -0.041,646 -0.039,647 -0.043,648 -0.003,649 -0.022,650 -0.065,651 -0.033,652 -0.001,653 -0.052,654 0.02,655 0.037,656 0.089,657 0.066,658 0.009,659 0.081,660 0.022,661 -0.11,662 -0.06,663 -0.076,664 -0.031,665 -0.079,666 1.675,667 7.017,668 0.595,669 35.607,670 0.978,671 1.137,672 4.653,673 21.648,674 0.611,675 3.738,676 4.22,677 4.615,678 4.97,679 5.278,680 5.493,681 5.707,682 5.93,683 6.133,684 6.354,685 6.706,686 0.552,687 511.88,688 3.738,689 5.38,690 6.312,691 7.283,692 8.239,693 9.214,694 10.18,695 11.157,696 12.127,697 13.106,698 3.3,701 2,707 1,741 90,743 3,745 41,747 94,748 32,756 5,757 15,763 7,764 3,766 3,767 8,768 4,770 9,772 4,773 28,774 5,777 3,782 1,784 1,785 1,786 3,793 53,794 5,795 1,796 5,802 3,804 1,808 0.2,809 2,811 1,828 1,829 3,830 1,832 1,833 1,834 2,841 1,849 1,850 1,855 2,857 1,859 1,864 9,868 37,875 1,876 8,880 8,881 2,882 3,893 2.2,894 1,896 1,901 21.083,902 18.467,903 7.743,904 6.129,907 0.797,908 1.087,909 0.883,910 6.903,911 10.012,912 3.807,913 4.331,914 4.771,915 5.176,916 5.557,917 5.823,918 6.096,919 6.385,920 6.65,921 6.891,922 0.875,923 86,924 14.01,926 6.283,927 0.026,929 7.43,931 28.316,933 26.164,936 1.93,937 71.417,941 612.097,942 118.111,943 23.034,945 67.828,948 118.111,949 679.926,950 23.034,951 78.569,952 19.419,953 52.16,954 32.606,955 26.22,957 612.097,959 612.097,960 141.145,961 67.828,964 482.615,965 154.627,966 42.683,968 104.229,969 27.44,970 9.476,972 612.097,973 90.862,974 118.111,977 612.097,978 30.066,979 94.294,981 84.614,982 612.097,983 90.862,984 118.111,986 0.621,987 0.394,988 0.215,989 0.122,990 37,991 19,992 0.043,993 4,994 4,995 1.364,996 4.106,997 416.777,998 0.364,999 22,1000 186.75,1005 27.538,1006 9.275,1007 3.882,1009 90.862,1017 42.683,1018 821.071,1019 44,1024 14.017,1026 2.492,1027 5.382,1028 3.286,1031 88.05,1032 102.294,1034 0.195,1035 0.428,1036 0.722,1037 0.848,1038 0.872,1039 0.872,1040 5.22,1041 2.083,1042 6.428,1043 7.85,1044 4.905,1045 5.017,1046 2.675,1047 7.479,1048 4.87,1049 6.46,1050 2.024,1051 8.161,1052 6.1,1053 5.017,1054 5.13,1055 2.292,1056 9.108,1057 4.98,1058 7.843,1059 1.811,1060 10.015,1061 6.027,1062 6.81,1063 7.017,1064 3.575,1065 12.313,1066 6.759,1067 9.258,1068 1.519,1069 11.944,1070 4.886,1071 7.692,1072 7.867,1073 3.873,1074 14.759,1075 7.645,1076 10.711,1077 1.267,1078 13.925,1079 4.469,1080 9.118,1081 9.366,1082 4.873,1083 17.661,1084 9.064,1085 12.19,1086 0.938,1087 15.943,1088 3.501,1089 10.294,1090 10.508,1091 5.438,1092 20.378,1093 10.246,1094 13.691,1095 0.925,1096 17.989,1097 2.316,1098 11.641,1099 11.895,1100 6.32,1101 23.226,1102 11.59,1103 3.992,1104 0.537,1105 20.056,1106 2.299,1107 12.927,1108 13.158,1109 7,1110 26.03,1111 12.879,1112 3.634,1113 17.648,1114 22.141,1115 1.135,1116 14.266,1117 14.516,1118 7.828,1119 28.875,1120 14.218,1121 3.014,1122 14.707,1123 24.239,1124 4.009,1125 15.595,1126 15.831,1127 8.56,1128 31.711,1129 15.548,1130 2.878,1131 11.421,1132 26.348,1133 3.781,1134 16.942,1135 17.186,1136 9.362,1137 34.561,1138 16.895,1139 2.668,1140 9.743,1141 28.466,1142 3.332,1143 18.29,1144 18.526,1145 10.119,1146 37.411,1147 18.244,1148 2.405,1149 9.149,1150 30.591,1151 3.097,1152 19.645,1153 19.884,1154 10.909,1155 40.267,1156 19.599,1157 2.309,1158 8.058,1159 32.722,1160 2.846,1161 21.003,1162 21.238,1163 11.677,1164 43.124,1165 20.957,1166 16641,1167 21082,1168 25.372,1169 54.961,1170 65.139,1171 66.508,1172 70.486,1173 64.426,1174 64.418,1175 68.068,1176 11.544,1177 219.6,1178 63.152,1179 5.997,1180 6.073,1181 8.225,1182 6.062,1183 5.992,1184 6.545,1185 3.677,1186 27.457,1187 5.987,1188 26.594,1189 1.589,1190 1.622,1191 1.719,1192 1.571,1193 1.571,1194 1.66,1195 0.282,1196 5.356,1197 1.54,1198 4.138,1199 4.175,1200 4.057,1201 4.057,1202 7.426,1203 4.052,1204 3.987,1205 4.029,1206 3.91,1207 3.891,1208 6.449,1209 3.889,1210 3.771,1211 3.829,1212 3.667,1213 3.634,1214 4.722,1215 3.634,1216 3.65,1217 3.72,1218 3.524,1219 3.5,1220 4.453,1221 3.495,1222 3.527,1223 3.597,1224 3.384,1225 3.368,1226 4.356,1227 3.359,1228 3.473,1229 3.549,1230 3.296,1231 3.301,1232 4.243,1233 3.286,1234 3.441,1235 3.502,1236 3.28,1237 3.291,1238 4.083,1239 3.283,1240 3.326,1241 3.395,1242 3.148,1243 3.178,1244 3.995,1245 3.161,1246 0.122,1247 0.1,1248 0.212,1249 0.122,1250 0.097,1251 4.997,1252 0.098,1253 4.086,1254 0.053,1255 8.709,1256 0.43,1257 4.991,1258 0.097,1259 3.992,1260 4.009,1261 2.178,1262 17.648,1263 3.987,1264 1.997,1265 1.96,1266 2.137,1267 2.121,1268 1.574,1269 2.128,1270 1.966,1271 1.933,1272 2.115,1273 2.073,1274 1.537,1275 2.088,1276 1.757,1277 1.705,1278 1.964,1279 1.939,1280 1.337,1281 1.951,1282 1.711,1283 1.654,1284 1.936,1285 1.874,1286 1.18,1287 1.898,1288 1.526,1289 1.461,1290 1.821,1291 1.727,1292 1.086,1293 1.764,1294 1.482,1295 1.41,1296 1.762,1297 1.703,1298 1.042,1299 1.722,1300 1.47,1301 1.398,1302 1.741,1303 1.655,1304 0.977,1305 1.69,1306 1.395,1307 1.321,1308 1.691,1309 1.595,1310 0.929,1311 1.631,1312 4.419,1314 5.861,1315 2.398,1316 7.508,1317 5.13,1318 9.261,1319 7.516,1320 11.073,1322 20.552,1327 11.474,1328 7.713,1332 1.781,1333 4.773,1334 -0.055,1340 49.664,1341 113.932,1342 250.302,1343 421.989,1344 495.208,1345 509.473,1346 509.473,1347 102.664,1348 9.215,1349 56.14,1350 56.14,1351 30,1352 13.579,1353 2,1354 2,1355 56.562,1356 154,1357 145,1358 0.192,1359 300.352,1360 543.02,1361 724.618,1362 132372,1364 27.077,1365 0.732,1366 0.677,1367 27.077,1368 25.05,1369 17.28,1370 0.421,1371 0.37,1372 15.054,1373 16.868,1374 14.262,1375 11.857,1376 17.28,1377 15.169,1378 17.573,1379 0.262,1380 0.22,1381 17.573,1382 14.719,1383 15.673,1384 0.157,1385 0.126,1386 15.673,1387 12.553,1388 13.663,1389 0.096,1390 0.071,1391 13.663,1392 10.215,1393 11.463,1394 0.059,1395 0.041,1396 11.463,1397 8.045,1398 0.292,1399 106.559,1400 0.199,1401 32.437,1402 0.558,1403 216,1404 384.821,1405 226.48,1406 377.712,1407 526.68,1408 354,1409 275,1410 393.951,1411 286.98,1412 407.757,1413 609.17,1414 381,1415 5}
{0 CHEMBL1782707,1 1.418,2 13.37,3 3.05,4 9.304,5 109.534,6 6.09,7 0.214,8 4.175,9 4.317,10 3.554,11 3.596,12 5.111,13 3.549,14 4.778,15 5.005,16 3.859,17 3.984,18 5.676,19 3.905,20 5.022,21 5.255,22 3.862,23 4.195,24 5.829,25 4.056,26 5.201,27 5.503,28 3.829,29 4.219,30 5.938,31 4.044,32 5.112,33 5.385,34 3.762,35 4.143,36 5.949,37 3.977,38 5.086,39 5.384,40 3.62,41 4.011,42 5.861,43 3.835,44 4.836,45 5.113,46 3.576,47 3.818,48 5.728,49 3.68,50 4.729,51 4.982,52 3.436,53 3.688,54 5.708,55 3.573,56 0.053,57 0.845,58 15.646,59 5.71,60 8.8,61 8.459,62 0.516,63 1.293,64 28.634,65 8.831,66 39.157,67 13.58,68 0.374,69 1.586,70 35.488,71 12.277,72 32.375,73 18.349,74 0.399,75 1.674,76 41.106,77 13.484,78 45.823,79 20.84,80 0.422,81 1.542,82 38.329,83 12.44,84 49.694,85 18.88,86 0.534,87 1.367,88 37.128,89 11.26,90 50.797,91 17.376,92 0.427,93 1.135,94 29.403,95 8.632,96 43.233,97 13.521,98 0.596,99 0.99,100 27.335,101 7.242,102 51.826,103 11.182,104 29,105 37,106 0.234,107 0.49,108 0.72,109 0.798,110 0.809,111 0.809,112 3.338,113 1.058,114 -3.07,115 -3.06,116 -2.95,121 33.9,122 2,123 2,125 1,126 2,127 7,144 4,145 1,146 1,161 1,176 8,179 1,180 4,183 2,185 1,187 9,191 1,192 6,197 1,200 7,206 8,211 2,214 3,219 8,222 1,224 2,227 2,231 1,232 4,237 2,239 2,243 2,244 2,249 2,251 4,255 1,259 2,264 4,269 2,277 4,281 1248,282 17.645,283 17.645,284 17.645,285 17.645,286 17.645,287 16.805,288 26.374,289 10.864,290 18.201,291 13.872,292 13.872,293 13.872,294 13.872,295 13.872,296 12.546,297 30.585,298 5.219,299 14.702,300 4.537,301 2.981,302 1.584,303 1.113,304 1.049,305 1.049,306 4.002,311 1,312 1,313 739,314 4.528,318 218.518,325 2.134,326 20.744,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 58.5,338 361,339 4.504,340 3.675,341 7.309,342 4.388,343 3.392,344 3.888,345 2.186,346 12.51,347 3.378,348 3.901,349 3.604,350 5.535,351 3.547,352 2.612,353 3.19,354 0.86,355 7.533,356 2.433,357 3.533,358 2.885,359 5.34,360 3.438,361 2.522,362 2.724,363 0.8,364 6.965,365 2.31,366 3.514,367 2.665,368 5.038,369 3.164,370 2.201,371 2.521,372 0.8,373 5.86,374 2.103,375 3.112,376 2.433,377 4.741,378 2.942,379 2.019,380 2.188,381 0.366,382 5.08,383 1.855,384 2.827,385 2.176,386 4.289,387 2.639,388 1.679,389 1.898,391 4.082,392 1.61,393 2.689,394 1.774,395 3.756,396 2.464,397 1.505,398 1.686,400 3.416,401 1.442,402 2.555,403 1.661,404 3.535,405 2.282,406 1.377,407 1.576,409 2.937,410 1.226,411 2.422,412 1.256,413 3.483,414 2.109,415 1.111,416 1.415,418 2.538,419 1.108,420 2,421 1.142,422 3.247,423 1.952,424 1,425 1,427 2.136,428 0.946,429 1.808,430 1.123,431 3.061,432 1.697,433 0.749,434 0.774,436 1.613,437 0.704,438 1.183,439 0.685,440 2.927,441 0.923,447 1,448 0.273,449 2.636,450 0.716,451 -0.26,452 -0.317,454 -0.613,455 -0.248,456 0.71,457 -0.134,458 2.528,459 0.568,460 -0.382,461 -0.386,463 -1.085,464 -0.361,465 0.57,466 -0.275,467 2.168,468 0.272,469 -0.696,470 -0.737,472 -1.489,473 -0.67,474 12.7,475 0.47,476 0.721,477 0.027,478 25.25,479 0.935,480 8,481 0.296,482 17.25,483 0.639,484 28.638,485 1.061,486 32.9,487 0.531,488 18.892,489 0.7,490 4.92,491 0.182,492 7.945,493 0.294,494 0.184,495 0.039,496 0.181,501 0.855,502 1.753,503 1.003,504 1.49,505 0.674,506 1.292,507 1.078,508 0.949,509 1.027,510 0.901,511 0.553,512 0.931,513 1,514 1.26,515 1.189,516 1.274,517 0.819,518 1.262,519 0.749,520 0.94,521 0.85,522 0.934,523 0.759,524 0.906,525 1.04,526 1.092,527 1.067,528 1.132,529 1.219,530 1.11,531 1.192,532 0.901,533 0.943,534 0.878,535 1.211,536 0.886,537 1.106,538 1.055,539 0.958,540 1.001,541 1.399,542 0.965,543 1.958,544 0.798,545 1.31,546 0.856,547 2.683,548 0.976,549 6.5,550 0.103,551 2.444,552 1.813,553 1.031,554 0.646,555 0.488,556 0.299,557 0.214,558 0.15,559 9672,560 20286,561 1.946,562 56.5,563 6,564 24,567 1,569 4,572 1.694,573 1.81,574 3.679,575 -0.346,577 1,582 87.887,583 1.418,584 2.973,585 4.37,586 4.841,587 4.905,588 4.905,589 3.12,590 4.31,591 4.726,592 3.891,593 1365.67,594 8.164,595 19202.5,597 1,600 369.16,601 1.525,602 4.669,603 0.232,604 0.006,605 0.066,606 0.052,607 0.03,608 0.022,609 0.019,610 0.012,611 0.01,612 0.007,613 0.456,614 0.5,615 1,616 1.155,617 138.785,618 0.011,619 -0.339,620 0.061,621 -0.179,622 -0.023,623 -0.07,624 0.088,625 0.24,626 0.039,627 0.153,628 0.194,629 0.104,630 -0.073,631 -0.128,632 -0.185,633 -0.165,634 -0.065,635 -0.189,636 0.005,637 0.016,638 0.092,639 0.044,640 0.062,641 0.079,642 -0.054,643 -0.094,644 -0.082,645 -0.124,646 -0.063,647 -0.11,648 -0.045,649 -0.018,650 0.042,651 0.051,652 -0.073,653 0.054,654 0.053,655 -0.085,656 0.053,657 -0.047,658 0.033,659 -0.005,660 -0.179,661 0.187,662 -0.198,663 0.049,664 -0.309,665 -0.064,666 2.052,667 5.048,668 0.444,669 30.173,670 0.991,671 1.141,672 1.836,673 3.371,674 0.606,675 3.367,676 3.638,677 3.738,678 3.912,679 3.989,680 3.871,681 3.951,682 3.829,683 3.829,684 3.638,685 7.903,686 0.559,687 377.59,688 3.367,689 4.875,690 5.659,691 6.506,692 7.31,693 8.161,694 8.977,695 9.831,696 10.654,697 11.51,698 4.8,701 2,705 1,715 4,720 2,722 6,737 1,741 62,743 7,744 1,745 28,747 63,748 21,749 6,750 2,751 4,756 2,757 2,763 2,764 1,770 2,772 7,773 14,777 1,782 1,786 1,790 1,793 35,794 6,795 1,796 6,802 3,808 1,809 3,829 2,855 2,858 1,859 2,864 4,868 27,876 9,877 1,878 2,881 2,882 1,893 4.8,896 1,897 1,898 1,901 14.917,902 11.983,903 6.042,904 3.772,907 1.149,908 1.173,909 0.897,910 8.869,911 7.804,912 3.497,913 3.902,914 4.208,915 4.626,916 5.009,917 5.019,918 5.265,919 5.177,920 5.168,921 4.761,922 0.889,923 35,924 10.035,926 3.986,927 0.026,929 7.583,931 19.717,933 15.522,936 2.083,937 56.25,940 1,941 400.217,942 112.322,943 24.259,945 47.145,948 112.322,949 447.362,950 24.259,951 34.443,952 42.793,953 37.905,954 36.145,955 25.678,956 6.763,957 400.217,959 400.217,960 136.581,961 47.145,964 353.133,965 83.229,966 11,968 66.692,969 69.889,972 400.217,973 71.404,974 112.322,977 400.217,978 39.974,979 78.597,980 18.011,981 47.145,982 400.217,983 71.404,984 112.322,986 0.569,987 0.298,988 0.158,989 0.079,990 14,991 7,992 0.159,993 10,995 1,996 3.976,997 200.043,999 12,1000 120.382,1005 21.995,1006 10.887,1007 8.076,1009 71.404,1010 7.812,1015 1.747,1017 18.011,1018 583.944,1019 32,1024 12.048,1028 -0.385,1031 61.425,1032 70.766,1034 0.238,1035 0.499,1036 0.734,1037 0.813,1038 0.824,1039 0.824,1040 4.732,1041 1.377,1042 5.652,1043 3.416,1044 4.317,1045 4.585,1046 2.56,1047 6.422,1048 4.217,1049 5.876,1050 1.111,1051 7.192,1052 2.937,1053 4.007,1054 4.331,1055 1.905,1056 7.591,1057 3.907,1058 7.149,1059 1,1060 8.858,1061 2.538,1062 5.916,1063 6.506,1064 3.55,1065 10.583,1066 5.755,1067 8.456,1068 0.749,1069 10.609,1070 2.136,1071 6.431,1072 7.03,1073 3.607,1074 12.669,1075 6.306,1076 9.803,1078 12.423,1079 1.613,1080 7.877,1081 8.781,1082 4.915,1083 15.31,1084 7.712,1085 11.178,1086 -0.26,1087 14.282,1089 8.781,1090 9.676,1091 5.291,1092 17.703,1093 8.658,1094 12.576,1095 -0.382,1096 16.175,1097 -0.613,1098 10.061,1099 11.247,1100 6.389,1101 20.26,1102 9.92,1103 3.392,1104 -0.696,1105 18.094,1106 -1.085,1107 11.142,1108 12.336,1109 6.93,1110 22.746,1111 11.032,1112 2.612,1113 12.51,1114 20.031,1115 -1.489,1116 12.368,1117 13.816,1118 7.902,1119 25.281,1120 12.254,1121 2.522,1122 7.533,1123 21.983,1124 3.888,1125 13.528,1126 15.014,1127 8.539,1128 27.794,1129 13.43,1130 2.201,1131 6.965,1132 23.944,1133 3.19,1134 14.741,1135 16.443,1136 9.436,1137 30.324,1138 14.644,1139 2.019,1140 5.86,1141 25.913,1142 2.724,1143 15.934,1144 17.704,1145 10.13,1146 32.846,1147 15.844,1148 1.679,1149 5.08,1150 27.888,1151 2.521,1152 17.147,1153 19.104,1154 10.981,1155 35.373,1156 17.058,1157 1.505,1158 4.082,1159 29.866,1160 2.188,1161 18.354,1162 20.403,1163 11.71,1164 37.899,1165 18.268,1166 9691,1167 14172,1168 17.97,1169 37.563,1170 40.669,1171 41.827,1172 41.094,1173 40.343,1174 40.334,1175 45.717,1176 10.025,1177 109.339,1178 38.226,1179 5.504,1180 5.675,1181 7.111,1182 5.491,1183 5.392,1184 6.888,1185 3.889,1186 19.87,1187 5.378,1188 15.227,1189 1.452,1190 1.494,1191 1.468,1192 1.441,1193 1.441,1194 1.633,1195 0.358,1196 3.905,1197 1.365,1198 3.981,1199 4.013,1200 3.915,1201 3.906,1202 7.435,1203 3.903,1204 3.833,1205 3.897,1206 3.707,1207 3.639,1208 4.82,1209 3.644,1210 3.683,1211 3.743,1212 3.574,1213 3.507,1214 4.627,1215 3.508,1216 3.628,1217 3.697,1218 3.489,1219 3.436,1220 4.379,1221 3.438,1222 3.416,1223 3.494,1224 3.278,1225 3.186,1226 4.262,1227 3.185,1228 3.353,1229 3.41,1230 3.184,1231 3.086,1232 4.131,1233 3.12,1234 3.111,1235 3.206,1236 2.899,1237 2.941,1238 4.03,1239 2.91,1240 3.06,1241 3.109,1242 2.866,1243 2.807,1244 3.896,1245 2.82,1246 0.161,1247 0.131,1248 0.261,1249 0.157,1250 0.121,1251 4.504,1252 0.139,1253 3.675,1254 0.078,1255 7.309,1256 0.447,1257 4.388,1258 0.121,1259 3.392,1260 3.888,1261 2.186,1262 12.51,1263 3.378,1264 1.95,1265 1.925,1266 2.08,1267 2.05,1268 1.332,1269 2.061,1270 1.777,1271 1.712,1272 2.003,1273 2.002,1274 1.325,1275 2.005,1276 1.643,1277 1.585,1278 1.865,1279 1.866,1280 1.154,1281 1.866,1282 1.603,1283 1.538,1284 1.85,1285 1.817,1286 0.963,1287 1.833,1288 1.398,1289 1.305,1290 1.722,1291 1.644,1292 0.825,1293 1.674,1294 1.262,1295 1.205,1296 1.531,1297 1.56,1298 0.804,1299 1.55,1300 1.153,1301 1.064,1302 1.513,1303 1.376,1304 0.764,1305 1.429,1306 0.973,1307 0.93,1308 1.417,1309 1.283,1310 0.469,1311 1.308,1312 4.043,1314 5.323,1316 6.779,1318 8.319,1320 9.907,1322 8.518,1328 8.302,1329 2.847,1330 10.807,1333 4.569,1334 -0.015,1340 34.637,1341 87.887,1342 184.344,1343 270.921,1344 300.141,1345 304.141,1346 304.141,1347 59.566,1348 6.655,1349 54.04,1350 54.04,1351 12,1352 12.071,1353 3,1354 2.322,1355 58.96,1356 128,1357 124,1358 0.218,1359 218.085,1360 385.05,1361 523.887,1362 7117,1364 19.7,1365 0.73,1366 0.64,1367 19.7,1368 17.293,1369 12.865,1370 0.459,1371 0.353,1372 9.704,1373 12.235,1374 9.298,1375 7.827,1376 12.865,1377 9.878,1378 11.799,1379 0.319,1380 0.22,1381 11.799,1382 8.127,1383 8.092,1384 0.197,1385 0.117,1386 8.092,1387 4.812,1388 6.699,1389 0.137,1390 0.071,1391 6.699,1392 3.481,1393 4.647,1394 0.088,1395 0.037,1396 4.647,1397 1.948,1398 0.359,1399 81.432,1400 0.236,1401 26.917,1402 0.555,1403 130,1404 358.83,1405 144.849,1406 335.168,1407 443.72,1408 314,1409 143,1410 307.757,1411 157.246,1412 313.416,1413 448.16,1414 288,1415 4}
{0 CHEMBL1782730,1 1.474,2 7.304,3 4.316,4 18.627,5 97.934,6 7.256,7 0.48,8 3.875,9 3.996,10 3.482,11 3.493,12 4.887,13 3.415,14 4.419,15 4.609,16 3.876,17 3.882,18 5.348,19 3.779,20 4.678,21 4.892,22 4.058,23 4.063,24 5.628,25 3.951,26 4.749,27 4.934,28 4.008,29 4.129,30 5.776,31 4.009,32 4.912,33 5.147,34 3.961,35 4.128,36 5.956,37 4.003,38 4.864,39 5.112,40 3.796,41 4.062,42 5.825,43 3.915,44 4.699,45 4.931,46 3.568,47 4.015,48 5.503,49 3.806,50 4.668,51 4.945,52 3.219,53 3.865,54 5.355,55 3.579,56 0.034,57 0.632,58 10.296,59 4.512,60 7.13,61 5.954,62 0.17,63 1.074,64 19.926,65 7.549,66 16.224,67 10,68 0.314,69 1.375,70 28.898,71 9.779,72 25.383,73 12.619,74 0.216,75 1.412,76 30.044,77 11.168,78 30.178,79 13.936,80 0.319,81 1.55,82 34.683,83 12.491,84 57.025,85 16.255,86 0.352,87 1.478,88 32.673,89 11.545,90 57.434,91 15.395,92 0.154,93 1.303,94 27.868,95 11.337,96 25.716,97 14.959,98 0.131,99 1.22,100 29.147,101 11.709,102 23.335,103 15.378,104 24,105 35,106 0.256,107 0.522,108 0.643,109 0.737,110 0.752,111 0.752,112 3.19,113 1.071,114 -4.45,115 -4.38,116 -4.13,121 42.2,122 3,127 2,129 1,144 8,146 4,160 1,176 6,179 1,180 5,187 6,191 2,192 7,200 6,206 4,214 7,219 11,227 8,232 7,239 11,244 2,251 8,264 10,277 4,281 726,282 15.776,283 15.776,284 15.776,285 15.776,286 15.776,287 14.216,288 18.031,289 9.205,290 16.199,291 12.172,292 12.172,293 12.172,294 12.172,295 12.172,296 9.818,297 20.882,298 4.132,299 12.821,300 4.018,301 2.49,302 1.79,303 1.25,304 1.161,305 1.161,306 3.869,311 1,312 1,313 354,314 3.674,318 134.282,322 154.878,325 1.013,326 13.848,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 48,338 168,339 4.564,340 4.61,341 7.034,342 4.259,343 3.318,344 4.11,345 2.95,346 12.039,347 3.121,348 3.995,349 3.874,350 6.289,351 3.784,352 2.839,353 3.58,354 1.989,355 9.238,356 2.679,357 3.962,358 3.221,359 5.982,360 3.502,361 2.532,362 3.191,363 0.835,364 8.37,365 2.447,366 3.396,367 2.948,368 5.558,369 3.152,370 2.238,371 2.489,372 0.543,373 7.051,374 2.04,375 2.989,376 2.612,377 4.794,378 2.62,379 1.671,380 2.17,382 4.711,383 1.565,384 2.914,385 1.788,386 4.116,387 2.476,388 1.494,389 1.993,391 3.329,392 1.452,393 2.819,394 1.629,395 3.852,396 2.336,397 1.347,398 1.966,400 3.187,401 1.329,402 2.702,403 1.39,404 3.594,405 2.227,406 1.247,407 1.792,409 2.902,410 1.215,411 2.044,412 1.348,413 3.578,414 1.827,415 0.839,416 0.977,418 1.984,419 0.824,420 1.782,421 0.836,422 3.051,423 1.591,424 0.618,425 0.618,427 0.873,428 0.6,429 1.618,430 0.744,431 2.798,432 1.37,433 0.387,434 0.496,436 0.791,437 0.37,438 1.12,439 0.504,440 2.618,441 0.702,442 -0.229,443 -0.283,445 -0.463,446 -0.209,447 0.909,448 0.49,449 2.404,450 0.603,451 -0.387,452 -0.406,454 -0.678,455 -0.382,456 0.641,457 -0.221,458 2.115,459 0.491,460 -0.445,461 -0.563,463 -1.091,464 -0.405,465 0.591,466 -0.574,467 2,468 0.107,469 -0.879,470 -1.257,472 -2.123,473 -0.86,474 11.467,475 0.499,476 0.504,477 0.022,478 28.75,479 1.25,480 14.5,481 0.63,482 14.25,483 0.62,484 20.874,485 0.908,486 24.533,487 0.545,488 19.707,489 0.857,490 5.394,491 0.235,492 5.775,493 0.251,494 0.16,496 0.331,501 0.701,502 1.291,503 0.793,504 0.993,505 0.59,506 0.986,507 0.847,508 1.08,509 0.811,510 0.845,511 0.583,512 0.853,513 1.22,514 0.841,515 0.972,516 0.82,517 0.924,518 0.753,519 1.522,520 1.139,521 1.197,522 1.146,523 1.544,524 1.069,525 1.574,526 0.976,527 0.888,528 0.923,529 1.813,530 0.923,531 1.736,532 0.857,533 0.911,534 0.799,535 1.963,536 0.903,537 0.69,538 1.142,539 1.182,540 1.219,541 0.64,542 1.281,543 0.336,544 1.116,545 1.209,546 1.277,547 0.287,548 1.287,549 3.5,551 2.889,552 2.063,553 1.8,554 0.861,555 0.609,556 0.274,557 0.172,558 0.063,559 4577,560 10300,561 2.041,562 48.9,564 13,569 9,572 1.668,573 1.89,574 2.893,575 -0.815,577 1,582 66.315,583 1.474,584 3.002,585 3.702,586 4.242,587 4.33,588 4.33,589 2.212,590 3.501,591 4.496,592 3.007,593 760.776,594 7.8,595 8392.71,597 1,599 1,600 247.133,601 1.478,602 4.443,603 0.14,605 0.083,606 0.05,607 0.045,608 0.023,609 0.019,610 0.011,611 0.012,612 0.016,613 0.399,614 0.5,615 1,616 1.532,617 103.95,618 0.038,619 -0.174,620 0.083,621 -0.013,622 -0.046,623 -0.002,624 0.131,625 0.029,626 0.162,627 0.127,628 0.03,629 0.104,630 0.081,631 0.273,632 0.144,633 0.201,634 0.073,635 0.196,636 -0.128,637 -0.087,638 -0.129,639 -0.117,640 -0.03,641 -0.105,642 -0.055,643 -0.02,644 0.021,645 -0.012,646 0.012,647 0.021,648 -0.221,649 0.095,650 -0.036,651 0.086,652 -0.189,653 0.033,654 -0.117,655 -0.175,656 -0.244,657 -0.223,658 -0.112,659 -0.278,660 -0.01,661 -0.204,662 -0.195,663 -0.236,664 -0.026,665 -0.259,666 1.533,667 6.258,668 0.609,669 15.112,670 0.988,671 1.117,672 3.223,673 10.386,674 0.683,675 3.258,676 3.584,677 3.932,678 4.22,679 4.489,680 4.575,681 4.727,682 4.812,683 4.812,684 4.615,685 4.735,686 0.627,687 326.5,688 3.258,689 4.796,690 5.673,691 6.569,692 7.47,693 8.378,694 9.288,695 10.201,696 11.115,697 12.03,698 4.4,701 1,705 1,715 8,720 4,722 12,741 45,743 13,744 2,745 25,747 47,748 19,749 12,750 4,751 8,756 3,757 6,763 3,770 1,772 13,773 6,777 1,782 1,786 1,790 1,793 22,794 3,796 4,797 1,802 2,808 0.333,809 1,829 3,833 2,844 1,855 1,859 1,860 1,862 1,864 3,868 23,876 2,879 1,880 1,881 2,893 2.2,896 1,901 12.167,902 8.983,903 5.278,904 3.083,907 2.497,908 1.352,909 0.969,910 4.859,911 9.584,912 3.497,913 4.043,914 4.61,915 5.169,916 5.734,917 5.936,918 6.365,919 6.769,920 7.049,921 7.126,922 0.8,923 41,924 8.544,926 3.569,927 0.026,929 7.565,931 16.681,933 13.676,936 2.065,937 47.5,940 1,941 258.964,942 152.036,943 6.249,945 25.145,947 32.22,948 119.817,949 284.109,950 6.249,951 26.476,952 7.336,953 75.81,954 29.85,955 11.739,957 291.184,959 258.964,960 126.065,961 25.145,962 32.22,964 153.024,965 131.085,968 36.936,969 89.13,971 32.22,972 258.964,973 31.394,974 152.036,977 258.964,978 49.751,979 108.534,981 25.145,982 258.964,983 31.394,984 152.036,986 0.573,987 0.368,988 0.208,989 0.111,990 17,991 8,992 0.085,993 4,994 2,995 1.286,996 3.307,997 192.798,998 0.286,999 14,1000 88.042,1001 1,1005 16.255,1006 6.876,1007 2.945,1009 31.394,1010 16.269,1015 4.234,1018 442.394,1019 32,1024 13.258,1028 0.133,1031 44.443,1032 50.278,1034 0.268,1035 0.547,1036 0.674,1037 0.772,1038 0.789,1039 0.789,1040 4.736,1041 1.247,1042 5.666,1043 3.187,1044 4.263,1045 4.727,1046 3.281,1047 6.541,1048 4.16,1049 5.923,1050 0.839,1051 7.268,1052 2.902,1053 3.892,1054 4.443,1055 1.738,1056 7.597,1057 3.709,1058 7.227,1059 0.618,1060 8.976,1061 1.984,1062 5.905,1063 6.839,1064 5.159,1065 10.761,1066 5.684,1067 8.568,1068 0.387,1069 10.748,1070 0.873,1071 6.399,1072 7.377,1073 3.224,1074 12.648,1075 6.095,1076 9.945,1077 -0.229,1078 12.56,1079 0.791,1080 7.871,1081 9.251,1082 7.239,1083 15.349,1084 7.53,1085 11.346,1086 -0.387,1087 14.398,1088 -0.463,1089 8.748,1090 10.183,1091 4.689,1092 17.572,1093 8.327,1094 12.766,1095 -0.445,1096 16.256,1097 -0.678,1098 10.023,1099 11.828,1100 9.371,1101 20.124,1102 9.558,1103 3.318,1104 -0.879,1105 18.127,1106 -1.091,1107 11.07,1108 12.966,1109 6.118,1110 22.493,1111 10.53,1112 2.839,1113 12.039,1114 20.009,1115 -2.123,1116 12.276,1117 14.495,1118 11.521,1119 24.996,1120 11.685,1121 2.532,1122 9.238,1123 21.901,1124 4.11,1125 13.399,1126 15.747,1127 7.524,1128 27.431,1129 12.737,1130 2.238,1131 8.37,1132 23.799,1133 3.58,1134 14.584,1135 17.216,1136 13.679,1137 29.919,1138 13.866,1139 1.671,1140 7.051,1141 25.704,1142 3.191,1143 15.742,1144 18.533,1145 8.915,1146 32.382,1147 14.956,1148 1.494,1149 4.711,1150 27.615,1151 2.489,1152 16.924,1153 19.97,1154 15.84,1155 34.867,1156 16.08,1157 1.347,1158 3.329,1159 29.53,1160 2.17,1161 18.099,1162 21.325,1163 10.3,1164 37.343,1165 17.189,1166 4602,1167 7052,1168 16.414,1169 30.728,1170 37.407,1171 40.151,1172 39.699,1173 37.17,1174 37.061,1175 46.766,1176 12.632,1177 108.949,1178 35.283,1179 5.479,1180 6.61,1181 6.72,1182 5.423,1183 5.318,1184 7.11,1185 5.9,1186 19.57,1187 5.121,1188 11.507,1189 1.496,1190 1.606,1191 1.588,1192 1.487,1193 1.482,1194 1.871,1195 0.505,1196 4.358,1197 1.411,1198 4.032,1199 4.056,1200 4.151,1201 3.991,1202 7.427,1203 3.967,1204 3.767,1205 3.833,1206 3.686,1207 3.707,1208 4.813,1209 3.698,1210 3.758,1211 3.788,1212 3.68,1213 3.586,1214 4.615,1215 3.593,1216 3.426,1217 3.489,1218 3.325,1219 3.239,1220 4.314,1221 3.236,1222 3.306,1223 3.407,1224 3.256,1225 3.123,1226 3.911,1227 3.089,1228 3.099,1229 3.171,1230 3.04,1231 3.017,1232 3.892,1233 2.945,1234 2.952,1235 2.981,1236 2.916,1237 2.882,1238 3.804,1239 2.855,1240 2.786,1241 2.856,1242 2.628,1243 2.674,1244 3.73,1245 2.655,1246 0.183,1247 0.184,1248 0.281,1249 0.17,1250 0.133,1251 4.564,1252 0.164,1253 4.61,1254 0.118,1255 7.034,1256 0.482,1257 4.259,1258 0.125,1259 3.318,1260 4.11,1261 2.95,1262 12.039,1263 3.121,1264 1.981,1265 1.964,1266 2.037,1267 2.064,1268 1.231,1269 2.069,1270 1.772,1271 1.744,1272 1.952,1273 1.932,1274 1.166,1275 1.945,1276 1.725,1277 1.659,1278 1.902,1279 1.849,1280 0.978,1281 1.869,1282 1.413,1283 1.344,1284 1.725,1285 1.631,1286 0.875,1287 1.661,1288 1.351,1289 1.256,1290 1.719,1291 1.584,1292 0.869,1293 1.638,1294 1.069,1295 1.013,1296 1.262,1297 1.304,1298 0.354,1299 1.299,1300 0.952,1301 0.921,1302 1.129,1303 1.047,1304 0.265,1305 1.105,1306 0.817,1307 0.754,1308 1.109,1309 1,1310 0.232,1311 1.045,1312 3.932,1314 5.252,1316 6.806,1318 8.466,1320 10.184,1322 6.199,1328 1.741,1331 1.728,1332 -0.144,1333 4.083,1340 28.213,1341 66.315,1342 135.076,1343 166.604,1344 190.869,1345 194.869,1346 194.869,1347 36.344,1348 7.088,1349 25.24,1350 53.48,1351 18,1352 12.542,1353 3.807,1354 3,1355 36.351,1356 62,1357 67,1358 0.286,1359 179.069,1360 309.2,1361 428.688,1362 10043,1364 16.397,1365 0.713,1366 0.636,1367 16.751,1368 14.638,1369 11.168,1370 0.447,1371 0.357,1372 8.114,1373 10.446,1374 7.751,1375 6.483,1376 11.576,1377 8.925,1378 9.525,1379 0.272,1380 0.191,1381 10.167,1382 6.692,1383 8.759,1384 0.175,1385 0.11,1386 9.568,1387 5.5,1388 7.37,1389 0.11,1390 0.061,1391 8.276,1392 4.114,1393 5.915,1394 0.067,1395 0.031,1396 6.943,1397 2.764,1398 0.422,1399 72.744,1400 0.247,1401 21.713,1402 0.876,1403 120,1404 295.886,1405 153.333,1406 311.753,1407 438.24,1408 294,1409 145,1410 317.069,1411 177.677,1412 336.525,1413 502.1,1414 320,1415 5.472}
{0 CHEMBL178294,1 1.486,2 9.667,3 3.706,4 13.736,5 88.385,6 7.567,7 0.444,8 3.885,9 3.977,10 3.474,11 3.418,12 4.971,13 3.416,14 4.45,15 4.581,16 3.897,17 3.835,18 5.582,19 3.819,20 4.694,21 4.848,22 3.912,23 3.983,24 5.72,25 3.934,26 4.773,27 4.998,28 3.738,29 3.88,30 5.764,31 3.795,32 4.626,33 4.843,34 3.633,35 3.649,36 5.739,37 3.597,38 4.372,39 4.564,40 3.363,41 3.379,42 5.512,43 3.354,44 4.056,45 4.222,46 3.378,47 3.362,48 5.265,49 3.326,50 4.191,51 4.362,52 3.291,53 3.43,54 5.4,55 3.363,56 0.043,57 0.573,58 8.607,59 4.248,60 6.814,61 5.05,62 0.46,63 0.944,64 17.424,65 7.29,66 36.546,67 8.934,68 0.295,69 1.197,70 22.688,71 9.274,72 28.64,73 11.347,74 0.395,75 1.254,76 27.378,77 9.741,78 41.45,79 12.88,80 0.488,81 1.026,82 24.323,83 8.099,84 50.47,85 10.401,86 0.611,87 0.752,88 19.572,89 5.845,90 57.321,91 6.802,92 0.277,93 0.634,94 12.196,95 4.772,96 27.397,97 6.109,98 0.421,99 0.729,100 14.402,101 4.991,102 50.064,103 6.227,104 10,105 40,106 0.259,107 0.617,108 0.796,109 0.876,110 0.892,111 0.892,112 3.229,113 0.89,114 -4.08,115 -4.03,116 -3.81,121 44.2,122 2,123 1,125 1,127 1,130 1,144 7,145 2,146 3,161 1,176 10,179 2,180 7,183 2,185 2,187 11,192 7,197 3,200 9,206 10,211 3,214 4,218 1,219 11,224 2,227 2,231 1,232 3,237 1,239 4,243 1,244 2,247 1,249 2,251 10,255 1,259 1,264 10,269 2,277 9,281 748,282 16.057,283 16.057,284 16.057,285 16.057,286 16.057,287 14.413,288 21.281,289 9.246,290 16.31,291 13.342,292 13.342,293 13.342,294 13.342,295 13.342,296 10.864,297 26.586,298 4.425,299 13.775,300 3.94,301 1.892,302 0.864,303 0.407,304 0.314,305 0.314,306 3.924,310 1,311 1,312 1,313 518,314 3.317,317 50.333,318 188.093,319 67.261,322 93.314,323 104.041,325 1.472,326 23.839,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 52.5,338 232,339 4.664,340 3.815,341 7.576,342 4.528,343 3.537,344 4.105,345 2.186,346 13.68,347 3.502,348 4.189,349 3.676,350 6.055,351 3.813,352 2.841,353 3.787,354 1.392,355 8.712,356 2.765,357 3.92,358 2.914,359 5.859,360 3.571,361 2.615,362 3.226,363 0.532,364 8.13,365 2.491,366 3.605,367 2.898,368 5.422,369 3.289,370 2.336,371 2.822,372 0.366,373 7.142,374 2.23,375 3.358,376 2.749,377 5.325,378 3.199,379 2.222,380 2.529,382 6.686,383 2.138,384 3.201,385 2.419,386 4.777,387 2.858,388 1.889,389 2.273,391 5.296,392 1.813,393 2.874,394 1.669,395 4.171,396 2.414,397 1.414,398 2.038,400 3.566,401 1.414,402 2.804,403 1.472,404 4.08,405 2.366,406 1.378,407 1.912,409 3.147,410 1.355,411 2.557,412 1.348,413 3.72,414 2.137,415 1.139,416 1.578,418 2.958,419 1.136,420 1.753,421 1.173,422 3.596,423 1.637,424 0.741,425 0.747,427 1.862,428 0.655,429 1.494,430 0.905,431 3.094,432 1.218,433 0.298,434 0.341,436 0.791,437 0.271,438 1.389,439 0.571,440 3.052,441 1.057,442 0.082,443 0.099,445 0.193,446 0.079,447 0.879,448 0.323,449 2.869,450 0.61,451 -0.348,452 -0.396,454 -0.991,455 -0.329,456 0.777,457 -0.1,458 2.43,459 0.419,460 -0.563,461 -0.632,463 -1.422,464 -0.551,465 0.689,466 -0.255,467 2.267,468 0.377,469 -0.639,470 -0.833,472 -1.813,473 -0.642,474 11.233,475 0.468,476 0.725,477 0.03,478 30.75,479 1.281,480 15,481 0.625,482 15.75,483 0.656,484 19.312,485 0.805,486 25.967,487 0.604,488 21.394,489 0.891,490 5.942,491 0.248,492 5.59,493 0.233,494 0.119,495 0.045,496 0.312,501 0.806,502 1.196,503 0.742,504 1.107,505 0.665,506 0.94,507 0.78,508 0.939,509 0.775,510 0.914,511 0.524,512 0.861,513 1.142,514 1.26,515 1.113,516 1.218,517 0.85,518 1.171,519 1.036,520 1.07,521 1.018,522 1.052,523 0.831,524 1.029,525 1.265,526 1.012,527 0.985,528 0.992,529 1.439,530 0.938,531 2.022,532 0.702,533 1.251,534 0.654,535 2.417,536 0.772,537 0.778,538 1.066,539 0.829,540 0.964,541 1.283,542 0.92,543 1.232,544 0.92,545 1.349,546 0.952,547 2.397,548 1.117,549 6.5,550 0.09,551 3.111,552 2.194,553 1.557,554 0.5,555 0.562,556 0.184,557 0.284,558 0.212,559 6802,560 17125,561 2.125,562 44.2,563 6,564 9,565 1,567 1,570 2,572 1.666,573 1.986,574 3.234,575 -0.342,577 1,579 1,582 63.908,583 1.486,584 3.534,585 4.562,586 5.019,587 5.112,588 5.112,589 2.62,590 4.502,591 4.562,592 3.408,593 940.545,594 7.852,595 11040.4,597 1,599 1,600 233.329,601 1.564,602 4.509,603 0.241,604 0.005,605 0.078,606 0.056,607 0.05,608 0.019,609 0.027,610 0.008,611 0.014,612 0.012,613 0.509,614 0.67,615 1,616 0.566,617 113.945,618 -0.036,619 -0.079,620 0.067,621 -0.056,622 -0.077,623 0.015,624 0.255,625 0.109,626 0.133,627 0.099,628 0.211,629 0.087,630 -0.145,631 -0.241,632 -0.194,633 -0.22,634 -0.086,635 -0.22,636 -0.085,637 -0.093,638 -0.024,639 -0.097,640 0.016,641 -0.053,642 -0.026,643 -0.07,644 0.064,645 -0.054,646 0.008,647 0.013,648 -0.29,649 0.223,650 -0.137,651 0.26,652 -0.373,653 0.121,654 0.182,655 -0.03,656 0.105,657 0.024,658 0.138,659 0.038,660 -0.099,661 0.168,662 -0.391,663 -0.016,664 -0.345,665 -0.214,666 2.174,667 5.152,668 0.75,669 18.083,670 1.008,671 1.118,672 2.851,673 8.129,674 0.667,675 3.332,676 3.714,677 3.989,678 4.29,679 4.522,680 4.575,681 4.691,682 4.718,683 4.86,684 4.927,685 5.906,686 0.642,687 325.39,688 3.332,689 4.905,690 5.771,691 6.681,692 7.566,693 8.479,694 9.374,695 10.289,696 11.191,697 12.108,698 2.3,705 1,715 7,720 5,722 12,737 1,739 1,741 43,743 13,744 2,745 27,747 46,748 19,749 12,750 5,751 7,756 4,757 7,763 2,764 1,766 1,767 1,770 1,772 13,773 6,777 1,782 1,786 1,790 1,793 19,794 5,795 1,796 5,802 1,808 0.5,809 4,815 1,828 1,829 3,830 1,833 1,834 1,858 1,859 2,864 2,868 24,876 2,877 1,878 3,880 1,882 1,893 9.3,896 1,897 1,898 2,901 12.083,902 8.333,903 5.056,904 2.535,907 2.199,908 1.295,909 0.976,910 3.74,911 9.645,912 3.555,913 4.143,914 4.644,915 5.183,916 5.677,917 5.775,918 6.075,919 6.293,920 6.534,921 6.736,922 1,923 39,924 8.899,926 3.885,927 0.026,929 7.733,931 17.019,933 14.404,936 2.233,937 53.583,940 1,941 211.88,942 117.848,943 18.011,945 58.145,948 117.848,949 270.024,950 18.011,951 17.65,952 25.138,953 66.693,954 36.145,955 41.615,956 18.534,957 200.109,959 211.88,960 135.859,961 58.145,964 188.338,965 70.687,966 11,967 0.36,968 42.788,969 92.711,972 211.88,973 76.155,974 117.848,977 212.239,978 33.504,979 83.984,980 18.011,981 58.145,982 211.88,983 76.155,984 117.848,986 0.598,987 0.347,988 0.188,989 0.102,990 22,991 9,992 0.065,993 3,994 3,995 1.278,996 3.639,997 202.49,998 0.333,999 17,1000 108.039,1005 15.486,1006 5.796,1007 2.909,1009 76.155,1010 13.021,1015 4.045,1017 18.011,1018 405.883,1019 34,1024 12.152,1028 -0.508,1031 43.363,1032 48.073,1034 0.274,1035 0.651,1036 0.841,1037 0.925,1038 0.942,1039 0.942,1040 4.836,1041 1.378,1042 5.808,1043 3.566,1044 4.394,1045 4.828,1046 2.637,1047 6.693,1048 4.334,1049 6.056,1050 1.139,1051 7.418,1052 3.147,1053 4.205,1054 4.705,1055 1.784,1056 7.958,1057 4.146,1058 7.386,1059 0.741,1060 9.14,1061 2.958,1062 6.107,1063 6.962,1064 3.7,1065 11.037,1066 6.001,1067 8.749,1068 0.298,1069 10.936,1070 1.862,1071 6.723,1072 7.585,1073 3.59,1074 13.179,1075 6.627,1076 10.143,1077 0.082,1078 12.784,1079 0.791,1080 8.164,1081 9.384,1082 5.007,1083 15.898,1084 8.039,1085 11.56,1086 -0.348,1087 14.67,1088 0.193,1089 9.14,1090 10.362,1091 5.289,1092 18.36,1093 9.024,1094 12.996,1095 -0.563,1096 16.586,1097 -0.991,1098 10.433,1099 11.965,1100 6.433,1101 20.997,1102 10.301,1103 3.537,1104 -0.639,1105 18.525,1106 -1.422,1107 11.568,1108 13.129,1109 6.93,1110 23.564,1111 11.439,1112 2.841,1113 13.68,1114 20.484,1115 -1.813,1116 12.82,1117 14.634,1118 7.922,1119 26.184,1120 12.682,1121 2.615,1122 8.712,1123 22.456,1124 4.105,1125 14.023,1126 15.899,1127 8.539,1128 28.784,1129 13.884,1130 2.336,1131 8.13,1132 24.441,1133 3.787,1134 15.269,1135 17.353,1136 9.444,1137 31.4,1138 15.123,1139 2.222,1140 7.142,1141 26.434,1142 3.226,1143 16.503,1144 18.674,1145 10.13,1146 34.011,1147 16.352,1148 1.889,1149 6.686,1150 28.435,1151 2.822,1152 17.753,1153 20.101,1154 10.985,1155 36.627,1156 17.594,1157 1.414,1158 5.296,1159 30.441,1160 2.529,1161 19,1162 21.456,1163 11.71,1164 39.241,1165 18.835,1166 6355,1167 10206,1168 18.087,1169 28.676,1170 41.396,1171 42.582,1172 42.341,1173 40.885,1174 40.984,1175 50.92,1176 8.951,1177 124.326,1178 39.701,1179 5.611,1180 5.815,1181 7.263,1182 5.619,1183 5.537,1184 7.105,1185 3.889,1186 21.662,1187 5.502,1188 10.427,1189 1.533,1190 1.577,1191 1.568,1192 1.514,1193 1.518,1194 1.886,1195 0.332,1196 4.605,1197 1.47,1198 4.047,1199 4.062,1200 3.995,1201 3.949,1202 7.435,1203 3.956,1204 3.924,1205 3.956,1206 3.861,1207 3.853,1208 4.951,1209 3.85,1210 3.658,1211 3.682,1212 3.578,1213 3.517,1214 4.759,1215 3.522,1216 3.36,1217 3.38,1218 3.309,1219 3.065,1220 4.619,1221 3.121,1222 3.169,1223 3.256,1224 2.986,1225 3.012,1226 4.236,1227 2.995,1228 3.141,1229 3.205,1230 2.962,1231 2.912,1232 3.998,1233 2.917,1234 2.88,1235 2.939,1236 2.755,1237 2.705,1238 3.906,1239 2.706,1240 2.797,1241 2.876,1242 2.621,1243 2.623,1244 3.848,1245 2.608,1246 0.173,1247 0.141,1248 0.281,1249 0.168,1250 0.131,1251 4.664,1252 0.152,1253 3.815,1254 0.081,1255 7.576,1256 0.507,1257 4.528,1258 0.13,1259 3.537,1260 4.105,1261 2.186,1262 13.68,1263 3.502,1264 1.948,1265 1.932,1266 2.05,1267 2.049,1268 1.352,1269 2.047,1270 1.911,1271 1.883,1272 2.033,1273 2.004,1274 1.135,1275 2.015,1276 1.546,1277 1.504,1278 1.754,1279 1.708,1280 0.921,1281 1.721,1282 1.296,1283 1.269,1284 1.553,1285 1.612,1286 0.772,1287 1.578,1288 1.211,1289 1.157,1290 1.541,1291 1.496,1292 0.604,1293 1.47,1294 1.173,1295 1.12,1296 1.328,1297 1.418,1298 0.455,1299 1.446,1300 0.882,1301 0.798,1302 1.312,1303 1.189,1304 0.27,1305 1.243,1306 0.842,1307 0.767,1308 1.103,1309 1.045,1310 0.17,1311 1.06,1312 4.007,1314 5.371,1315 2.398,1316 6.929,1317 4.844,1318 8.581,1319 7.034,1320 10.286,1322 4.078,1328 1.433,1329 2.765,1330 16.859,1332 -0.168,1334 -0.093,1340 27.622,1341 63.908,1342 151.973,1343 196.168,1344 215.82,1345 219.82,1346 219.82,1347 35.864,1348 7.446,1349 56.79,1350 56.79,1351 23,1352 12.621,1353 3.807,1354 3,1355 34.03,1356 86,1357 76,1358 0.194,1359 165.739,1360 293.7,1361 396.163,1362 17289,1364 16.734,1365 0.697,1366 0.569,1367 16.734,1368 13.666,1369 11.533,1370 0.427,1371 0.297,1372 7.883,1373 11.04,1374 7.64,1375 6.315,1376 11.533,1377 8.007,1378 11.143,1379 0.279,1380 0.165,1381 11.143,1382 6.611,1383 9.242,1384 0.174,1385 0.088,1386 9.242,1387 4.657,1388 7.959,1389 0.111,1390 0.045,1391 7.959,1392 3.27,1393 6.515,1394 0.072,1395 0.024,1396 6.515,1397 2.16,1398 0.305,1399 72.723,1400 0.235,1401 23.386,1402 0.532,1403 134,1404 403.275,1405 150.778,1406 376.348,1407 517.63,1408 354,1409 160,1410 386.072,1411 175.619,1412 385.78,1413 571.53,1414 362,1415 7.252}
{0 CHEMBL1783499,1 1.409,2 16.479,3 4.882,4 23.831,5 190.717,6 6.544,7 0.109,8 4.708,9 4.834,10 4.2,11 4.288,12 5.601,13 4.215,14 5.369,15 5.559,16 4.689,17 4.813,18 6.163,19 4.72,20 5.774,21 5.97,22 4.955,23 5.147,24 6.614,25 5.029,26 6.091,27 6.331,28 4.963,29 5.302,30 6.939,31 5.133,32 6.185,33 6.457,34 4.857,35 5.275,36 6.975,37 5.081,38 6.127,39 6.42,40 4.692,41 5.163,42 6.904,43 4.951,44 5.988,45 6.28,46 4.627,47 5.056,48 6.726,49 4.855,50 5.928,51 6.218,52 4.579,53 4.996,54 6.666,55 4.797,56 0.092,57 1.479,58 25.81,59 11.358,60 15.799,61 15.395,62 0.402,63 2.691,64 52.322,65 20.582,66 35.628,67 28.595,68 0.452,69 3.871,70 77.33,71 30.949,72 65.342,73 42.366,74 0.986,75 4.954,76 112.276,77 41.356,78 144.722,79 56.451,80 1.086,81 5.049,82 119.236,83 43.209,84 154.15,85 59.886,86 1.295,87 4.661,88 113.239,89 40.221,90 173.703,91 56.45,92 0.863,93 4.106,94 96.081,95 35.244,96 123.287,97 49.953,98 0.853,99 3.889,100 91.134,101 32.845,102 116.13,103 46.444,104 123,105 92,106 0.205,107 0.469,108 0.724,109 0.838,110 0.864,111 0.864,112 3.895,113 1.076,114 -5.97,115 -5.83,116 -5.42,121 38.8,122 6,123 8,124 4,125 5,126 1,127 3,129 3,144 4,145 2,158 1,160 3,176 27,179 2,180 14,185 2,187 42,192 16,197 2,200 44,205 2,206 20,209 1,211 5,214 39,219 12,224 2,227 35,231 3,232 9,235 1,237 4,239 29,243 1,244 9,249 2,251 21,256 16,259 1,261 2,264 20,269 9,274 1,277 17,281 5126,282 31.421,283 31.421,284 31.421,285 31.421,286 31.421,287 30.211,288 34.56,289 16.884,290 31.822,291 26.911,292 26.911,293 26.911,294 26.911,295 26.911,296 24.833,297 44.38,298 7.736,299 27.538,300 5.278,301 3.465,302 1.715,303 0.928,304 0.75,305 0.75,306 4.605,313 1785,314 5.745,315 37.208,317 173.378,318 473.912,319 88.006,321 314.3,322 424.53,323 287.975,325 2.957,326 61.088,329 0.5,330 0.5,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.8,337 101.5,338 791,339 5.286,340 4.588,341 9.146,342 5.274,343 4.273,344 4.322,345 3.828,346 20.02,347 4.279,348 4.895,349 4.45,350 8.655,351 4.891,352 3.894,353 4.146,354 2.178,355 17.406,356 3.884,357 4.585,358 3.952,359 7.865,360 4.473,361 3.486,362 3.897,363 1.349,364 14.502,365 3.445,366 4.514,367 3.91,368 7.051,369 4.291,370 3.301,371 3.585,372 0.8,373 11.689,374 3.262,375 3.938,376 3.58,377 6.964,378 3.867,379 2.897,380 3.115,381 0.8,382 11.241,383 2.817,384 3.881,385 3.256,386 6.643,387 3.618,388 2.686,389 2.894,390 0.694,391 9.392,392 2.507,393 3.556,394 3.237,395 6.144,396 3.424,397 2.446,398 2.811,400 8.297,401 2.414,402 3.541,403 3.066,404 5.933,405 3.38,406 2.37,407 2.65,409 8.15,410 2.354,411 3.441,412 2.937,413 5.686,414 3.204,415 2.237,416 2.648,418 7.259,419 2.156,420 3.431,421 2.58,422 5.491,423 3.067,424 2.116,425 2.436,427 6.486,428 2.093,429 3.127,430 2.431,431 5.489,432 3.066,433 2.026,434 2.129,436 6.426,437 2.001,438 2.956,439 2.372,440 5.472,441 2.917,442 1.938,443 1.956,445 5.911,446 1.897,447 2.827,448 2.058,449 5.118,450 2.586,451 1.596,452 1.937,454 4.736,455 1.576,456 2.646,457 1.937,458 4.772,459 2.469,460 1.484,461 1.628,463 4.129,464 1.458,465 2.535,466 1.854,467 4.226,468 2.402,469 1.403,470 1.514,472 3.321,473 1.395,474 23.367,475 0.487,476 1.942,477 0.04,478 42.5,479 0.885,480 12,481 0.25,482 30.5,483 0.635,484 88.353,485 1.841,486 54.633,487 0.53,488 30.635,489 0.638,490 5.556,491 0.116,492 17.104,493 0.356,494 0.207,495 0.107,496 0.312,501 0.666,502 1.284,503 0.876,504 1.103,505 0.613,506 1.075,507 0.64,508 1.022,509 0.873,510 0.955,511 0.522,512 0.909,513 0.869,514 1.186,515 0.986,516 1.118,517 0.788,518 1.114,519 0.913,520 1.153,521 1.224,522 1.226,523 0.827,524 1.165,525 1.159,526 1.023,527 1.036,528 1.02,529 1.135,530 1.05,531 0.958,532 0.915,533 0.985,534 0.939,535 0.966,536 0.961,537 0.835,538 0.945,539 0.848,540 0.917,541 0.831,542 0.953,543 0.937,544 0.937,545 0.896,546 0.897,547 0.918,548 0.934,549 14,550 0.67,551 11.778,552 9.236,553 5.722,554 3.224,555 1.906,556 1.385,557 1.046,558 0.855,559 44282,560 88457,561 2.082,562 53.4,563 25,564 16,567 1,568 3,569 7,570 3,572 1.841,573 1.864,574 3.92,575 -0.469,582 145.103,583 1.409,584 3.222,585 4.972,586 5.759,587 5.936,588 5.936,589 3.497,590 5.335,591 5.548,592 4.16,593 4692.62,594 9.853,595 88153.3,600 688.71,601 1.882,602 5.46,603 0.255,604 0.01,605 0.132,606 0.084,607 0.055,608 0.036,609 0.025,610 0.019,611 0.015,612 0.013,613 0.645,614 0.17,615 0.63,616 0.72,617 283.009,618 -0.003,619 -0.036,620 0.081,621 0.056,622 -0.035,623 0.061,624 0.082,625 0.147,626 0.131,627 0.143,628 0.042,629 0.164,630 -0.032,631 -0.065,632 -0.014,633 -0.049,634 -0.002,635 -0.054,636 0.003,637 -0.097,638 -0.149,639 -0.158,640 0.05,641 -0.145,642 -0.087,643 -0.066,644 -0.068,645 -0.054,646 -0.065,647 -0.072,648 0.031,649 0.016,650 -0.016,651 0.01,652 0.008,653 0.004,654 0.018,655 -0.015,656 0.053,657 0.015,658 0.002,659 0.022,660 -0.016,661 0.004,662 0.038,663 0.04,664 -0.029,665 0.034,666 1.874,667 7.859,668 0.646,669 73.84,670 0.987,671 1.127,672 4.745,673 22.513,674 0.643,675 4.025,676 4.533,677 4.97,678 5.352,679 5.68,680 5.93,681 6.213,682 6.488,683 6.715,684 6.925,685 9.36,686 0.59,687 674.05,688 4.025,689 5.687,690 6.648,691 7.642,692 8.631,693 9.637,694 10.642,695 11.658,696 12.674,697 13.697,698 2.9,701 1,705 1,707 1,715 4,720 2,722 6,741 103,743 10,744 1,745 55,747 110,748 40,749 6,750 2,751 4,752 2,756 8,757 28,763 6,764 5,766 5,767 9,768 3,770 11,772 10,773 30,774 4,777 4,782 3,785 1,786 4,793 55,794 7,795 1,796 8,797 1,802 3,805 1,808 0.25,809 4,811 1,826 1,828 2,829 5,830 1,832 2,833 3,834 2,841 1,855 1,857 1,859 2,860 1,862 1,864 7,868 48,875 1,876 11,879 1,880 7,881 2,882 5,893 3.9,894 1,896 3,901 25.75,902 20.383,903 9.875,904 6.972,907 1.436,908 1.135,909 0.916,910 7.516,911 12.11,912 4.143,913 4.714,914 5.24,915 5.707,916 6.11,917 6.322,918 6.622,919 6.873,920 7.092,921 7.247,922 1,923 110,924 18.245,926 8.585,927 0.026,929 7.582,931 36.214,933 34.467,936 2.082,937 99.917,941 635.64,942 178.895,943 23.034,945 118.118,947 32.22,948 146.676,949 753.758,950 23.034,951 61.348,952 28.512,953 80.588,954 91.099,955 26.281,957 667.859,959 635.64,960 169.71,961 118.118,962 32.22,964 517.928,965 193.146,966 42.683,968 101.373,969 68.337,971 32.22,972 635.64,973 141.152,974 178.895,977 635.64,978 79.643,979 105.501,981 134.904,982 635.64,983 141.152,984 178.895,986 0.625,987 0.4,988 0.219,989 0.118,990 54,991 25,992 0.064,993 7,994 6,995 1.387,996 5.158,997 600.232,998 0.387,999 31,1000 256.078,1001 1,1005 33.308,1006 10.832,1007 4.223,1009 141.152,1010 7.056,1015 0.982,1017 42.683,1018 955.687,1019 62,1024 40.681,1027 5.352,1028 1.397,1031 101.665,1032 116.048,1034 0.211,1035 0.482,1036 0.744,1037 0.861,1038 0.888,1039 0.888,1040 5.559,1041 2.37,1042 6.77,1043 8.297,1044 5.22,1045 5.403,1046 3.758,1047 7.871,1048 5.186,1049 6.821,1050 2.237,1051 8.532,1052 8.15,1053 5.38,1054 5.545,1055 2.958,1056 9.665,1057 5.353,1058 8.232,1059 2.116,1060 10.424,1061 7.259,1062 7.201,1063 7.517,1064 6.016,1065 12.928,1066 7.156,1067 9.681,1068 2.026,1069 12.398,1070 6.486,1071 8.164,1072 8.427,1073 5.714,1074 15.538,1075 8.132,1076 11.174,1077 1.938,1078 14.428,1079 6.426,1080 9.627,1081 10.011,1082 8.57,1083 18.531,1084 9.589,1085 12.696,1086 1.596,1087 16.496,1088 5.911,1089 10.879,1090 11.22,1091 8.553,1092 21.385,1093 10.851,1094 14.243,1095 1.484,1096 18.594,1097 4.736,1098 12.275,1099 12.695,1100 11.181,1101 24.341,1102 12.247,1103 4.273,1104 1.403,1105 20.712,1106 4.129,1107 13.627,1108 14.025,1109 11.39,1110 27.269,1111 13.606,1112 3.894,1113 20.02,1114 22.847,1115 3.321,1116 15.021,1117 15.468,1118 13.809,1119 30.228,1120 15.003,1121 3.486,1122 17.406,1123 24.995,1124 4.322,1125 16.412,1126 16.851,1127 14.2,1128 33.185,1129 16.399,1130 3.301,1131 14.502,1132 27.152,1133 4.146,1134 17.817,1135 18.286,1136 16.446,1137 36.152,1138 17.808,1139 2.897,1140 11.689,1141 29.318,1142 3.897,1143 19.226,1144 19.695,1145 16.984,1146 39.122,1147 19.221,1148 2.686,1149 11.241,1150 31.489,1151 3.585,1152 20.642,1153 21.13,1154 19.089,1155 42.097,1156 20.64,1157 2.446,1158 9.392,1159 33.665,1160 3.115,1161 22.062,1162 22.552,1163 19.749,1164 45.074,1165 22.063,1166 40238,1167 57083,1168 35.194,1169 66.279,1170 88.782,1171 95.203,1172 95.507,1173 87.379,1174 87.381,1175 96.106,1176 19.298,1177 305.359,1178 85.652,1179 6.286,1180 6.588,1181 8.825,1182 6.431,1183 6.273,1184 7.322,1185 7.376,1186 30.405,1187 6.279,1188 31.737,1189 1.614,1190 1.731,1191 1.736,1192 1.589,1193 1.589,1194 1.747,1195 0.351,1196 5.552,1197 1.557,1198 4.223,1199 4.251,1200 4.178,1201 4.162,1202 7.447,1203 4.155,1204 4.018,1205 4.04,1206 3.991,1207 3.926,1208 7.425,1209 3.935,1210 3.96,1211 3.997,1212 3.982,1213 3.885,1214 7.408,1215 3.872,1216 3.8,1217 3.846,1218 3.81,1219 3.716,1220 6.449,1221 3.69,1222 3.683,1223 3.749,1224 3.568,1225 3.531,1226 4.7,1227 3.525,1228 3.57,1229 3.63,1230 3.439,1231 3.45,1232 4.66,1233 3.435,1234 3.499,1235 3.562,1236 3.383,1237 3.353,1238 4.465,1239 3.343,1240 3.447,1241 3.514,1242 3.291,1243 3.286,1244 4.331,1245 3.281,1246 0.096,1247 0.083,1248 0.166,1249 0.096,1250 0.078,1251 5.286,1252 0.079,1253 4.588,1254 0.07,1255 9.146,1256 0.364,1257 5.274,1258 0.078,1259 4.273,1260 4.322,1261 3.828,1262 20.02,1263 4.279,1264 2.011,1265 1.98,1266 2.147,1267 2.106,1268 1.634,1269 2.125,1270 1.895,1271 1.868,1272 2.047,1273 2.015,1274 1.488,1275 2.032,1276 1.887,1277 1.86,1278 1.986,1279 1.959,1280 1.343,1281 1.968,1282 1.773,1283 1.718,1284 1.975,1285 1.951,1286 1.208,1287 1.964,1288 1.666,1289 1.61,1290 1.91,1291 1.832,1292 1.152,1293 1.858,1294 1.626,1295 1.57,1296 1.857,1297 1.812,1298 1.085,1299 1.83,1300 1.462,1301 1.395,1302 1.741,1303 1.671,1304 1.079,1305 1.685,1306 1.421,1307 1.365,1308 1.685,1309 1.636,1310 0.995,1311 1.66,1312 4.71,1313 1.946,1314 6.172,1315 4.511,1316 7.854,1317 6.889,1318 9.651,1319 9.135,1320 11.517,1322 16.118,1327 11.954,1328 9.755,1331 1.979,1332 1.313,1333 3.671,1334 -0.342,1340 60.807,1341 145.103,1342 331.846,1343 512.083,1344 593.161,1345 611.425,1346 611.425,1347 135.897,1348 10.674,1349 91.97,1350 117.27,1351 43,1352 14.144,1353 3.459,1354 3,1355 63.5,1356 266,1357 278,1358 0.116,1359 362.324,1360 658.97,1361 875.831,1362 841728,1364 34.181,1365 0.712,1366 0.643,1367 34.535,1368 30.867,1369 22.66,1370 0.412,1371 0.359,1372 18.686,1373 21.699,1374 17.834,1375 14.622,1376 23.114,1377 19.721,1378 22.985,1379 0.25,1380 0.207,1381 23.516,1382 19.068,1383 21.533,1384 0.151,1385 0.122,1386 22.379,1387 17.423,1388 19.085,1389 0.091,1390 0.069,1391 19.849,1392 14.577,1393 15.79,1394 0.054,1395 0.04,1396 16.591,1397 11.821,1398 0.184,1399 144.415,1400 0.169,1401 41.182,1402 0.316,1403 294,1404 607.152,1405 332.358,1406 609.323,1407 844.51,1408 570,1409 385,1410 615.338,1411 423.843,1412 641.795,1413 974.59,1414 604,1415 7.854}
{0 CHEMBL1783514,1 1.339,2 14.674,3 5.705,4 32.552,5 175.68,6 6.258,7 0.122,8 4.639,9 4.767,10 4.096,11 4.213,12 5.493,13 4.13,14 5.297,15 5.494,16 4.572,17 4.732,18 6.024,19 4.629,20 5.693,21 5.887,22 4.846,23 5.085,24 6.458,25 4.954,26 6.035,27 6.282,28 4.87,29 5.26,30 6.76,31 5.076,32 6.147,33 6.423,34 4.805,35 5.25,36 6.885,37 5.048,38 6.086,39 6.379,40 4.648,41 5.145,42 6.836,43 4.927,44 5.962,45 6.257,46 4.579,47 5.026,48 6.684,49 4.821,50 5.85,51 6.135,52 4.511,53 4.963,54 6.547,55 4.759,56 0.11,57 1.362,58 25.322,59 10.999,60 16.301,61 14.97,62 0.32,63 2.462,64 49.998,65 19.656,66 28.156,67 27.262,68 0.436,69 3.596,70 72.898,71 29.498,72 49.363,73 40.575,74 0.729,75 4.713,76 105.621,77 39.978,78 80.215,79 54.925,80 0.997,81 4.869,82 113.122,83 41.943,84 114.027,85 58.262,86 1.011,87 4.483,88 106.149,89 39.325,90 136.019,91 54.795,92 0.832,93 3.94,94 92.078,95 34.258,96 106.289,97 48.188,98 0.635,99 3.618,100 82.672,101 31.554,102 79.36,103 44.022,104 105,105 82,106 0.198,107 0.466,108 0.74,109 0.851,110 0.879,111 0.879,112 3.788,113 1.103,114 -6.07,115 -5.92,116 -5.5,121 38.1,122 6,123 7,124 4,125 5,126 2,127 2,129 3,144 4,145 1,146 1,158 1,160 1,176 25,180 11,185 2,187 40,192 14,197 2,200 43,206 14,209 1,211 5,214 37,218 1,219 11,224 2,227 37,231 1,232 5,235 1,237 4,239 31,243 1,244 8,249 4,251 32,256 7,261 3,264 25,269 11,272 1,274 2,277 21,281 3573,282 28.117,283 28.117,284 28.117,285 28.117,286 28.117,287 27.07,288 32.828,289 15.1,290 28.625,291 23.942,292 23.942,293 23.942,294 23.942,295 23.942,296 22.21,297 44.358,298 6.883,299 24.681,300 5.261,301 3.453,302 1.599,303 0.848,304 0.66,305 0.66,306 4.493,313 1405,314 5.523,315 31.048,317 64.871,318 409.978,319 73.661,321 106.225,322 358.384,323 242.72,325 2.551,326 42.619,329 0.5,330 0.5,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.8,337 90,338 631,339 5.286,340 4.588,341 9.146,342 5.274,343 4.273,344 4.322,345 3.828,346 20.02,347 4.279,348 4.895,349 4.45,350 8.655,351 4.891,352 3.894,353 3.898,354 2.178,355 17.406,356 3.884,357 4.514,358 3.91,359 7.865,360 4.473,361 3.486,362 3.674,363 0.916,364 14.502,365 3.445,366 4.092,367 3.58,368 7.051,369 3.887,370 2.919,371 3.585,372 0.86,373 11.244,374 2.832,375 3.934,376 3.237,377 6.643,378 3.665,379 2.697,380 3.115,381 0.694,382 9.402,383 2.628,384 3.866,385 3.142,386 6.154,387 3.616,388 2.673,389 2.902,390 0.172,391 8.415,392 2.507,393 3.556,394 2.944,395 5.933,396 3.407,397 2.422,398 2.656,400 8.156,401 2.409,402 3.478,403 2.891,404 5.662,405 3.367,406 2.368,407 2.621,409 7.686,410 2.326,411 3.284,412 2.629,413 5.475,414 3.104,415 2.15,416 2.361,418 6.559,419 2.037,420 3.074,421 2.384,422 5.426,423 2.929,424 1.959,425 2.09,427 5.922,428 1.904,429 2.955,430 2.281,431 5.12,432 2.885,433 1.923,434 1.955,436 5.604,437 1.834,438 2.688,439 2.056,440 4.926,441 2.53,442 1.546,443 1.762,445 4.651,446 1.519,447 2.596,448 1.851,449 4.771,450 2.407,451 1.408,452 1.575,454 4.122,455 1.399,456 2.535,457 1.737,458 4.223,459 2.216,460 1.261,461 1.511,463 2.979,464 1.21,465 2.394,466 1.453,467 4.069,468 2.148,469 1.221,470 1.346,472 2.783,473 1.095,474 21.133,475 0.491,476 1.746,477 0.041,478 36.25,479 0.843,480 9.5,481 0.221,482 26.75,483 0.622,484 80.594,485 1.874,486 49.667,487 0.512,488 23.243,489 0.541,490 4.512,491 0.105,492 15.758,493 0.366,494 0.221,495 0.118,496 0.279,501 0.789,502 1.267,503 0.927,504 1.126,505 0.785,506 1.112,507 0.916,508 0.994,509 0.916,510 0.939,511 0.65,512 0.901,513 0.957,514 1.23,515 1.055,516 1.15,517 0.977,518 1.171,519 0.867,520 1.195,521 1.227,522 1.239,523 0.901,524 1.174,525 1.206,526 1.013,527 1.026,528 1.001,529 1.461,530 1.035,531 1.012,532 0.959,533 0.988,534 0.973,535 1.316,536 0.983,537 1.036,538 0.891,539 0.843,540 0.866,541 1.234,542 0.91,543 0.987,544 0.959,545 0.921,546 0.939,547 1.044,548 0.976,549 14,550 0.478,551 10.222,552 7.625,553 5.562,554 3.119,555 1.985,556 1.334,557 1.03,558 0.737,559 29723,560 54310,561 2.066,562 55.7,563 25,564 17,567 1,568 3,569 7,570 1,572 1.819,573 1.849,574 3.767,575 -0.485,582 129.923,583 1.339,584 3.147,585 5.001,586 5.751,587 5.94,588 5.94,589 3.403,590 5.287,591 5.386,592 3.945,593 3562.15,594 9.55,595 59560.4,600 640.192,601 1.895,602 5.298,603 0.286,604 0.009,605 0.129,606 0.078,607 0.059,608 0.037,609 0.027,610 0.019,611 0.016,612 0.013,613 0.673,614 0.17,615 0.63,616 0.821,617 242.651,618 0.009,619 -0.012,620 0.087,621 0.055,622 -0.06,623 0.061,624 -0.016,625 0.171,626 0.132,627 0.172,628 0.019,629 0.19,630 -0.058,631 -0.083,632 -0.049,633 -0.058,634 -0.053,635 -0.082,636 -0.018,637 -0.122,638 -0.142,639 -0.161,640 0.002,641 -0.139,642 -0.063,643 -0.038,644 -0.058,645 -0.038,646 -0.078,647 -0.059,648 0.024,649 -0.012,650 -0.027,651 -0.02,652 0.027,653 -0.018,654 0.002,655 0.041,656 0.057,657 0.053,658 -0.003,659 0.049,660 -0.04,661 0.002,662 0.007,663 0.016,664 -0.039,665 0.005,666 1.722,667 7.802,668 0.651,669 58.252,670 0.982,671 1.127,672 4.838,673 23.409,674 0.637,675 3.912,676 4.419,677 4.844,678 5.231,679 5.583,680 5.855,681 6.155,682 6.444,683 6.692,684 6.909,685 8.096,686 0.578,687 607,688 3.912,689 5.572,690 6.529,691 7.527,692 8.517,693 9.529,694 10.539,695 11.562,696 12.584,697 13.615,698 2.1,701 1,707 1,715 4,720 2,722 6,739 1,741 97,743 8,744 1,745 49,747 103,748 37,749 6,750 2,751 4,756 7,757 26,763 6,764 5,766 5,767 9,768 3,770 10,772 8,773 29,774 4,777 2,782 1,785 1,786 2,793 54,794 5,795 1,796 6,797 1,802 2,808 0.286,809 3,811 1,826 1,828 1,829 5,830 1,832 1,833 3,834 2,841 1,855 1,857 1,859 2,860 1,862 1,864 8,868 43,875 1,876 9,878 1,879 1,880 7,881 1,882 5,893 3.1,894 1,896 1,898 1,901 23.25,902 19.517,903 8.903,904 6.39,907 1.159,908 1.114,909 0.901,910 7.014,911 11.306,912 4.007,913 4.58,914 5.07,915 5.522,916 5.932,917 6.146,918 6.427,919 6.721,920 6.997,921 7.249,922 1,923 98,924 16.272,926 7.494,927 0.026,929 7.432,931 32.81,933 31.095,936 1.932,937 83.083,941 623.868,942 177.787,943 19.91,945 78.828,947 32.22,948 145.567,949 702.697,950 19.91,951 72.231,952 20.747,953 80.588,954 31.4,955 39.339,957 656.088,959 623.868,960 165.477,961 78.828,962 32.22,964 529.7,965 130.314,966 42.683,968 93.608,969 71.869,971 32.22,972 623.868,973 98.738,974 177.787,977 623.868,978 67.651,979 113.26,981 95.614,982 623.868,983 98.738,984 177.787,986 0.622,987 0.394,988 0.213,989 0.117,990 48,991 22,992 0.058,993 6,994 5,995 1.357,996 4.721,997 522.645,998 0.357,999 28,1000 231.329,1001 1,1005 30.459,1006 9.902,1007 3.945,1009 98.738,1010 8.287,1015 2.082,1017 42.683,1018 900.393,1019 54,1024 14.802,1027 5.36,1028 1.881,1031 95.236,1032 109.34,1034 0.203,1035 0.477,1036 0.758,1037 0.871,1038 0.9,1039 0.9,1040 5.427,1041 2.368,1042 6.658,1043 8.156,1044 5.106,1045 5.268,1046 3.692,1047 7.768,1048 5.061,1049 6.694,1050 2.15,1051 8.426,1052 7.686,1053 5.293,1054 5.421,1055 2.938,1056 9.605,1057 5.261,1058 8.11,1059 1.959,1060 10.326,1061 6.559,1062 7.104,1063 7.376,1064 6.004,1065 12.869,1066 7.052,1067 9.564,1068 1.923,1069 12.31,1070 5.922,1071 8.084,1072 8.267,1073 5.709,1074 15.506,1075 8.049,1076 11.061,1077 1.546,1078 14.352,1079 5.604,1080 9.549,1081 9.845,1082 8.568,1083 18.506,1084 9.51,1085 12.587,1086 1.408,1087 16.432,1088 4.651,1089 10.814,1090 11.026,1091 8.552,1092 21.371,1093 10.786,1094 14.138,1095 1.261,1096 18.54,1097 4.122,1098 12.216,1099 12.494,1100 11.181,1101 24.331,1102 12.19,1103 4.273,1104 1.221,1105 20.669,1106 2.979,1107 13.578,1108 13.798,1109 11.39,1110 27.264,1111 13.559,1112 3.894,1113 20.02,1114 22.812,1115 2.783,1116 14.98,1117 15.234,1118 13.809,1119 30.225,1120 14.965,1121 3.486,1122 17.406,1123 24.967,1124 4.322,1125 16.378,1126 16.598,1127 14.2,1128 33.183,1129 16.368,1130 2.919,1131 14.502,1132 27.13,1133 3.898,1134 17.789,1135 18.027,1136 16.446,1137 36.151,1138 17.783,1139 2.697,1140 11.244,1141 29.3,1142 3.674,1143 19.203,1144 19.423,1145 16.984,1146 39.121,1147 19.2,1148 2.673,1149 9.402,1150 31.475,1151 3.585,1152 20.623,1153 20.853,1154 19.089,1155 42.096,1156 20.624,1157 2.422,1158 8.415,1159 33.655,1160 3.115,1161 22.047,1162 22.268,1163 19.749,1164 45.074,1165 22.05,1166 27630,1167 37360,1168 31.205,1169 61.819,1170 78.084,1171 83.277,1172 85.373,1173 77.194,1174 77.338,1175 83.993,1176 17.298,1177 271.1,1178 75.2,1179 6.286,1180 6.588,1181 8.739,1182 6.431,1183 6.273,1184 7.322,1185 7.376,1186 30.405,1187 6.279,1188 27.963,1189 1.594,1190 1.7,1191 1.742,1192 1.575,1193 1.578,1194 1.714,1195 0.353,1196 5.533,1197 1.535,1198 4.221,1199 4.249,1200 4.176,1201 4.161,1202 7.426,1203 4.154,1204 3.971,1205 4.009,1206 3.99,1207 3.892,1208 6.449,1209 3.883,1210 3.919,1211 3.948,1212 3.877,1213 3.848,1214 4.868,1215 3.842,1216 3.782,1217 3.823,1218 3.789,1219 3.708,1220 4.669,1221 3.68,1222 3.604,1223 3.672,1224 3.485,1225 3.469,1226 4.465,1227 3.456,1228 3.542,1229 3.604,1230 3.404,1231 3.397,1232 4.398,1233 3.389,1234 3.451,1235 3.519,1236 3.29,1237 3.306,1238 4.285,1239 3.292,1240 3.349,1241 3.408,1242 3.272,1243 3.196,1244 4.163,1245 3.178,1246 0.108,1247 0.094,1248 0.187,1249 0.108,1250 0.087,1251 5.286,1252 0.088,1253 4.588,1254 0.078,1255 9.146,1256 0.409,1257 5.274,1258 0.087,1259 4.273,1260 4.322,1261 3.828,1262 20.02,1263 4.279,1264 2.011,1265 1.981,1266 2.147,1267 2.107,1268 1.634,1269 2.126,1270 1.92,1271 1.891,1272 2.055,1273 2.036,1274 1.488,1275 2.045,1276 1.884,1277 1.853,1278 2.021,1279 1.988,1280 1.335,1281 2.004,1282 1.734,1283 1.687,1284 1.929,1285 1.891,1286 1.16,1287 1.905,1288 1.66,1289 1.605,1290 1.904,1291 1.816,1292 1.148,1293 1.852,1294 1.47,1295 1.401,1296 1.748,1297 1.681,1298 1.079,1299 1.7,1300 1.44,1301 1.38,1302 1.707,1303 1.637,1304 0.995,1305 1.669,1306 1.388,1307 1.324,1308 1.672,1309 1.561,1310 0.918,1311 1.609,1312 4.595,1313 1.946,1314 6.057,1315 4.394,1316 7.744,1317 6.735,1318 9.548,1319 8.98,1320 11.424,1322 18.118,1327 11.912,1328 9.14,1330 5.472,1331 2,1332 1.712,1333 2.388,1334 -0.073,1340 56.071,1341 129.923,1342 305.296,1343 485.094,1344 557.888,1345 576.152,1346 576.152,1347 109.444,1348 10.147,1349 62.13,1350 87.43,1351 38,1352 14.058,1353 3.17,1354 2.585,1355 58.259,1356 207,1357 249,1358 0.142,1359 336.005,1360 604.92,1361 811.611,1362 407929,1364 30.742,1365 0.715,1366 0.665,1367 31.095,1368 28.598,1369 20.27,1370 0.414,1371 0.368,1372 16.986,1373 19.375,1374 16.085,1375 13.256,1376 20.724,1377 18.009,1378 20.602,1379 0.251,1380 0.216,1381 21.134,1382 17.693,1383 18.934,1384 0.15,1385 0.129,1386 19.779,1387 16.219,1388 16.741,1389 0.09,1390 0.073,1391 17.504,1392 13.655,1393 14.085,1394 0.053,1395 0.042,1396 14.886,1397 11.246,1398 0.22,1399 129.501,1400 0.179,1401 37.277,1402 0.399,1403 262,1404 491.771,1405 296.06,1406 499.277,1407 698.51,1408 470,1409 342,1410 508.089,1411 375.853,1412 538.093,1413 810.46,1414 503,1415 8.523}
{0 CHEMBL1783515,1 1.339,2 15.279,3 5.705,4 32.552,5 175.68,6 6.258,7 0.122,8 4.639,9 4.767,10 4.096,11 4.213,12 5.493,13 4.13,14 5.297,15 5.494,16 4.572,17 4.732,18 6.024,19 4.629,20 5.693,21 5.887,22 4.846,23 5.085,24 6.46,25 4.954,26 6.035,27 6.282,28 4.861,29 5.26,30 6.76,31 5.074,32 6.144,33 6.423,34 4.793,35 5.246,36 6.875,37 5.042,38 6.08,39 6.373,40 4.633,41 5.136,42 6.829,43 4.917,44 5.939,45 6.233,46 4.567,47 5.016,48 6.66,49 4.808,50 5.848,51 6.138,52 4.505,53 4.948,54 6.544,55 4.745,56 0.11,57 1.362,58 25.322,59 10.999,60 16.301,61 14.97,62 0.32,63 2.462,64 49.998,65 19.656,66 28.045,67 27.262,68 0.436,69 3.596,70 72.898,71 29.498,72 49.923,73 40.575,74 0.735,75 4.713,76 105.606,77 39.985,78 80.979,79 54.944,80 0.912,81 4.863,82 112.549,83 41.936,84 111.275,85 58.341,86 1.077,87 4.437,88 105.596,89 39.106,90 136.79,91 54.404,92 0.753,93 3.881,94 89.757,95 33.939,96 101.663,97 47.735,98 0.659,99 3.594,100 82.571,101 31.028,102 81.367,103 43.458,104 105,105 82,106 0.198,107 0.466,108 0.734,109 0.839,110 0.867,111 0.867,112 3.788,113 1.103,114 -6.07,115 -5.92,116 -5.5,121 38.1,122 6,123 7,124 4,125 5,126 2,127 2,129 3,144 4,145 1,146 1,158 1,160 1,176 25,180 11,185 2,187 40,192 14,197 2,200 43,206 15,209 1,211 5,214 37,219 10,224 2,227 37,231 2,232 5,235 1,237 4,239 33,243 1,244 6,249 4,251 31,256 8,261 4,264 28,269 8,274 1,277 19,281 3627,282 28.117,283 28.117,284 28.117,285 28.117,286 28.117,287 27.07,288 32.828,289 15.062,290 28.625,291 23.925,292 23.925,293 23.925,294 23.925,295 23.925,296 22.204,297 43.051,298 6.862,299 24.666,300 5.261,301 3.453,302 1.64,303 0.931,304 0.743,305 0.743,306 4.493,313 1466,314 5.523,315 31.35,317 65.657,318 412.518,319 74.369,321 107.401,322 361.561,323 244.964,325 2.591,326 42.397,329 0.5,330 0.5,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.8,337 90,338 657,339 5.286,340 4.588,341 9.146,342 5.274,343 4.273,344 4.322,345 3.828,346 20.02,347 4.279,348 4.895,349 4.45,350 8.655,351 4.891,352 3.894,353 3.898,354 2.178,355 17.406,356 3.884,357 4.514,358 3.91,359 7.865,360 4.473,361 3.486,362 3.64,363 0.916,364 14.502,365 3.445,366 4.063,367 3.58,368 7.051,369 3.885,370 2.917,371 3.585,372 0.86,373 11.244,374 2.83,375 3.933,376 3.237,377 6.643,378 3.639,379 2.69,380 3.115,381 0.694,382 9.401,383 2.602,384 3.867,385 3.133,386 6.154,387 3.613,388 2.65,389 2.924,390 0.172,391 8.391,392 2.507,393 3.561,394 2.942,395 5.933,396 3.408,397 2.43,398 2.74,400 8.155,401 2.409,402 3.527,403 2.867,404 5.611,405 3.372,406 2.37,407 2.645,409 7.411,410 2.329,411 3.33,412 2.661,413 5.474,414 3.147,415 2.186,416 2.375,418 6.645,419 2.085,420 3.081,421 2.394,422 5.384,423 2.961,424 2.007,425 2.09,427 5.969,428 1.916,429 2.955,430 2.32,431 5.127,432 2.908,433 1.933,434 1.955,436 5.844,437 1.87,438 2.609,439 2.056,440 5.051,441 2.531,442 1.546,443 1.585,445 4.665,446 1.52,447 2.535,448 1.852,449 4.772,450 2.407,451 1.406,452 1.511,454 4.123,455 1.399,456 2.5,457 1.737,458 4.223,459 2.15,460 1.256,461 1.5,463 2.978,464 1.096,465 2.394,466 1.446,467 4.075,468 2,469 1.002,470 1.346,472 2.677,473 1,474 21.133,475 0.491,476 1.746,477 0.041,478 36.25,479 0.843,480 9.5,481 0.221,482 26.75,483 0.622,484 80.36,485 1.869,486 49.667,487 0.512,488 23.14,489 0.538,490 4.512,491 0.105,492 15.758,493 0.366,494 0.221,495 0.118,496 0.279,501 0.789,502 1.267,503 0.927,504 1.126,505 0.785,506 1.112,507 0.916,508 0.994,509 0.916,510 0.939,511 0.651,512 0.901,513 0.957,514 1.23,515 1.055,516 1.15,517 0.973,518 1.171,519 0.876,520 1.195,521 1.237,522 1.24,523 0.909,524 1.18,525 1.146,526 1.017,527 1.013,528 1.004,529 1.441,530 1.033,531 1.024,532 0.931,533 0.988,534 0.954,535 1.332,536 0.971,537 0.898,538 0.941,539 0.835,540 0.907,541 1.217,542 0.94,543 1.018,544 0.911,545 0.899,546 0.891,547 1.024,548 0.928,549 14,550 0.486,551 10.444,552 7.375,553 5.642,554 3.119,555 1.983,556 1.39,557 0.978,558 0.733,559 30051,560 55126,561 2.066,562 55.7,563 25,564 17,567 1,568 3,569 7,570 1,572 1.818,573 1.849,574 3.801,575 -0.485,582 129.923,583 1.339,584 3.147,585 4.96,586 5.669,587 5.857,588 5.857,589 3.383,590 5.194,591 5.384,592 3.972,593 3586.37,594 9.544,595 60194.8,600 640.192,601 1.895,602 5.298,603 0.286,604 0.01,605 0.132,606 0.075,607 0.06,608 0.037,609 0.028,610 0.02,611 0.015,612 0.014,613 0.677,614 0.17,615 0.63,616 0.821,617 243.077,618 0.009,619 -0.012,620 0.087,621 0.055,622 -0.06,623 0.061,624 -0.016,625 0.171,626 0.132,627 0.172,628 0.018,629 0.19,630 -0.058,631 -0.083,632 -0.049,633 -0.058,634 -0.048,635 -0.082,636 -0.028,637 -0.121,638 -0.152,639 -0.162,640 -0.005,641 -0.145,642 -0.069,643 -0.044,644 -0.051,645 -0.041,646 -0.075,647 -0.056,648 0.037,649 0.012,650 -0.025,651 -0.002,652 0.025,653 -0.008,654 0.034,655 -0.004,656 0.059,657 0.022,658 0.006,659 0.029,660 -0.042,661 0.047,662 0.032,663 0.053,664 -0.017,665 0.043,666 1.717,667 7.794,668 0.651,669 59.771,670 0.982,671 1.127,672 4.838,673 23.409,674 0.637,675 3.912,676 4.419,677 4.844,678 5.226,679 5.583,680 5.855,681 6.155,682 6.446,683 6.688,684 6.909,685 8.214,686 0.578,687 607,688 3.912,689 5.572,690 6.529,691 7.526,692 8.517,693 9.528,694 10.538,695 11.56,696 12.583,697 13.614,698 2.1,701 1,707 1,715 4,720 2,722 6,739 1,741 97,743 8,744 1,745 49,747 103,748 37,749 6,750 2,751 4,756 7,757 26,763 6,764 5,766 5,767 9,768 3,770 10,772 8,773 29,774 4,777 2,782 1,785 1,786 2,793 54,794 5,795 1,796 6,797 1,802 2,808 0.286,809 3,811 1,826 1,828 1,829 5,830 1,832 1,833 3,834 2,841 1,855 1,857 1,859 2,860 1,862 1,864 8,868 43,875 1,876 9,878 1,879 1,880 7,881 1,882 5,893 3.1,894 1,896 1,898 1,901 23.25,902 19.517,903 8.903,904 6.39,907 1.143,908 1.113,909 0.901,910 7.014,911 11.291,912 4.007,913 4.58,914 5.07,915 5.513,916 5.938,917 6.15,918 6.429,919 6.725,920 6.988,921 7.252,922 0.909,923 98,924 16.269,926 7.49,927 0.026,929 7.432,931 32.81,933 31.095,936 1.932,937 83.083,941 623.868,942 177.787,943 19.91,945 78.828,947 32.22,948 145.567,949 702.697,950 19.91,951 72.231,952 20.747,953 80.588,954 31.4,955 39.339,957 656.088,959 623.868,960 165.477,961 78.828,962 32.22,964 529.7,965 130.314,966 42.683,968 93.608,969 71.869,971 32.22,972 623.868,973 98.738,974 177.787,977 623.868,978 67.651,979 113.26,981 95.614,982 623.868,983 98.738,984 177.787,986 0.623,987 0.394,988 0.21,989 0.116,990 48,991 22,992 0.058,993 6,994 5,995 1.357,996 4.741,997 521.072,998 0.357,999 28,1000 227.329,1001 1,1005 30.459,1006 9.902,1007 3.945,1009 98.738,1010 8.306,1015 2.108,1017 42.683,1018 900.393,1019 54,1024 14.794,1027 5.359,1028 1.884,1031 95.236,1032 109.34,1034 0.203,1035 0.477,1036 0.751,1037 0.859,1038 0.887,1039 0.887,1040 5.427,1041 2.37,1042 6.658,1043 8.155,1044 5.106,1045 5.268,1046 3.692,1047 7.767,1048 5.061,1049 6.694,1050 2.186,1051 8.426,1052 7.411,1053 5.293,1054 5.421,1055 2.938,1056 9.605,1057 5.261,1058 8.11,1059 2.007,1060 10.325,1061 6.645,1062 7.104,1063 7.376,1064 6.004,1065 12.868,1066 7.052,1067 9.564,1068 1.933,1069 12.31,1070 5.969,1071 8.084,1072 8.267,1073 5.709,1074 15.506,1075 8.049,1076 11.061,1077 1.546,1078 14.351,1079 5.844,1080 9.549,1081 9.843,1082 8.568,1083 18.506,1084 9.509,1085 12.587,1086 1.406,1087 16.432,1088 4.665,1089 10.813,1090 11.022,1091 8.552,1092 21.371,1093 10.786,1094 14.137,1095 1.256,1096 18.54,1097 4.123,1098 12.216,1099 12.489,1100 11.181,1101 24.331,1102 12.19,1103 4.273,1104 1.002,1105 20.669,1106 2.978,1107 13.577,1108 13.792,1109 11.39,1110 27.264,1111 13.559,1112 3.894,1113 20.02,1114 22.812,1115 2.677,1116 14.979,1117 15.227,1118 13.809,1119 30.225,1120 14.965,1121 3.486,1122 17.406,1123 24.967,1124 4.322,1125 16.377,1126 16.59,1127 14.2,1128 33.183,1129 16.367,1130 2.917,1131 14.502,1132 27.13,1133 3.898,1134 17.789,1135 18.019,1136 16.446,1137 36.151,1138 17.782,1139 2.69,1140 11.244,1141 29.3,1142 3.64,1143 19.203,1144 19.415,1145 16.984,1146 39.121,1147 19.2,1148 2.65,1149 9.401,1150 31.475,1151 3.585,1152 20.623,1153 20.845,1154 19.089,1155 42.096,1156 20.624,1157 2.43,1158 8.391,1159 33.655,1160 3.115,1161 22.047,1162 22.26,1163 19.749,1164 45.074,1165 22.05,1166 27934,1167 37844,1168 31.205,1169 61.819,1170 78.153,1171 83.167,1172 85.331,1173 77.263,1174 77.366,1175 84.04,1176 17.298,1177 271.223,1178 75.231,1179 6.286,1180 6.588,1181 8.699,1182 6.431,1183 6.273,1184 7.322,1185 7.376,1186 30.405,1187 6.279,1188 28.045,1189 1.595,1190 1.697,1191 1.741,1192 1.577,1193 1.579,1194 1.715,1195 0.353,1196 5.535,1197 1.535,1198 4.221,1199 4.249,1200 4.176,1201 4.161,1202 7.426,1203 4.154,1204 3.971,1205 4.009,1206 3.99,1207 3.892,1208 6.449,1209 3.883,1210 3.919,1211 3.948,1212 3.876,1213 3.848,1214 4.869,1215 3.842,1216 3.782,1217 3.823,1218 3.79,1219 3.708,1220 4.669,1221 3.68,1222 3.605,1223 3.672,1224 3.487,1225 3.469,1226 4.467,1227 3.456,1228 3.543,1229 3.604,1230 3.405,1231 3.398,1232 4.401,1233 3.39,1234 3.452,1235 3.52,1236 3.29,1237 3.307,1238 4.276,1239 3.293,1240 3.349,1241 3.409,1242 3.274,1243 3.196,1244 4.152,1245 3.179,1246 0.108,1247 0.094,1248 0.187,1249 0.108,1250 0.087,1251 5.286,1252 0.088,1253 4.588,1254 0.078,1255 9.146,1256 0.409,1257 5.274,1258 0.087,1259 4.273,1260 4.322,1261 3.828,1262 20.02,1263 4.279,1264 2.011,1265 1.981,1266 2.147,1267 2.107,1268 1.634,1269 2.126,1270 1.92,1271 1.891,1272 2.055,1273 2.036,1274 1.488,1275 2.046,1276 1.884,1277 1.853,1278 2.021,1279 1.988,1280 1.335,1281 2.004,1282 1.734,1283 1.687,1284 1.928,1285 1.891,1286 1.16,1287 1.905,1288 1.66,1289 1.605,1290 1.904,1291 1.816,1292 1.147,1293 1.852,1294 1.471,1295 1.402,1296 1.748,1297 1.684,1298 1.079,1299 1.701,1300 1.44,1301 1.381,1302 1.707,1303 1.637,1304 0.995,1305 1.669,1306 1.389,1307 1.324,1308 1.672,1309 1.561,1310 0.918,1311 1.609,1312 4.595,1313 1.946,1314 6.057,1315 4.394,1316 7.744,1317 6.735,1318 9.548,1319 8.98,1320 11.423,1322 18.119,1327 11.902,1328 9.176,1330 5.357,1331 2.001,1332 1.741,1333 2.395,1334 -0.057,1340 56.071,1341 129.923,1342 305.296,1343 481.094,1344 549.888,1345 568.152,1346 568.152,1347 109.177,1348 10.147,1349 62.13,1350 87.43,1351 38,1352 14.057,1353 3.17,1354 2.585,1355 58.306,1356 209,1357 282,1358 0.14,1359 336.005,1360 604.92,1361 811.611,1362 407929,1364 30.742,1365 0.715,1366 0.665,1367 31.095,1368 28.598,1369 20.27,1370 0.414,1371 0.368,1372 16.986,1373 19.375,1374 16.086,1375 13.255,1376 20.724,1377 18.009,1378 20.59,1379 0.251,1380 0.216,1381 21.122,1382 17.689,1383 19.008,1384 0.151,1385 0.129,1386 19.854,1387 16.244,1388 16.629,1389 0.09,1390 0.074,1391 17.393,1392 13.615,1393 14.058,1394 0.053,1395 0.042,1396 14.859,1397 11.236,1398 0.218,1399 129.501,1400 0.179,1401 37.371,1402 0.393,1403 262,1404 491.771,1405 296.06,1406 499.212,1407 698.49,1408 470,1409 342,1410 508.089,1411 375.853,1412 537.958,1413 810.2,1414 503,1415 8.046}
{0 CHEMBL1783516,1 1.472,2 14.356,3 6.664,4 44.41,5 175.191,6 6.718,7 0.118,8 4.638,9 4.764,10 4.142,11 4.212,12 5.546,13 4.141,14 5.31,15 5.5,16 4.673,17 4.735,18 6.428,19 4.649,20 5.702,21 5.894,22 4.902,23 5.089,24 6.55,25 4.97,26 6.051,27 6.294,28 4.956,29 5.26,30 6.894,31 5.096,32 6.169,33 6.444,34 4.879,35 5.244,36 7.03,37 5.062,38 6.087,39 6.373,40 4.718,41 5.144,42 6.913,43 4.945,44 5.988,45 6.277,46 4.658,47 5.035,48 6.841,49 4.85,50 5.884,51 6.169,52 4.618,53 4.965,54 6.706,55 4.789,56 0.051,57 1.574,58 23.639,59 11.067,60 22.644,61 14.347,62 0.866,63 3.158,64 50.512,65 19.971,66 162.214,67 26.593,68 0.328,69 3.944,70 71.294,71 29.885,72 79.188,73 39.929,74 0.746,75 5.1,76 108.882,77 40.477,78 138.906,79 54.229,80 1.493,81 5.23,82 120.508,83 42.134,84 223.689,85 57.444,86 1.169,87 4.563,88 110.481,89 39.461,90 206.366,91 54.398,92 1.114,93 4.33,94 99.148,95 35.382,96 199.914,97 48.264,98 0.924,99 4.049,100 89.709,101 32.364,102 167.195,103 43.709,104 149,105 87,106 0.218,107 0.481,108 0.731,109 0.84,110 0.875,111 0.878,112 3.833,113 1.072,114 -7.12,115 -6.91,116 -6.39,121 38.5,122 6,123 7,124 4,125 5,126 1,127 2,129 3,134 1,144 4,145 2,158 1,160 1,176 27,180 9,185 2,187 42,192 12,197 2,200 44,206 14,209 1,211 5,214 37,219 11,224 2,227 37,231 1,232 5,235 1,237 4,239 33,243 1,244 6,249 4,251 33,256 6,261 4,264 29,269 7,274 2,277 23,281 3995,282 28.772,283 28.772,284 28.772,285 28.772,286 28.772,287 27.735,288 31.402,289 15.31,290 29.352,291 24.987,292 24.987,293 24.987,294 24.987,295 24.987,296 23.308,297 40.963,298 7.039,299 26.019,300 5.112,301 3.34,302 1.657,303 0.92,304 0.688,305 0.667,306 4.532,313 1425,314 5.958,315 33.048,317 67.644,318 436.007,319 78.314,321 111.264,322 380.452,323 257.409,325 2.601,326 70.134,329 0.5,330 0.5,331 0.67,332 0.8,333 1,334 0.67,335 1,336 0.73,337 97.5,338 646,339 5.286,340 4.588,341 9.146,342 5.274,343 4.273,344 4.322,345 3.828,346 20.02,347 4.279,348 4.895,349 4.471,350 8.655,351 4.891,352 3.894,353 3.996,354 3.825,355 17.406,356 3.884,357 4.538,358 4.45,359 7.865,360 4.473,361 3.486,362 3.897,363 2.178,364 14.502,365 3.445,366 4.514,367 3.91,368 7.248,369 4.26,370 3.378,371 3.585,372 0.916,373 12.242,374 3.035,375 3.94,376 3.58,377 7.051,378 3.868,379 2.903,380 3.115,381 0.694,382 11.242,383 2.809,384 3.891,385 3.237,386 6.643,387 3.618,388 2.686,389 2.931,390 0.172,391 9.4,392 2.507,393 3.661,394 3.134,395 6.154,396 3.466,397 2.515,398 2.818,400 8.389,401 2.415,402 3.552,403 2.941,404 5.933,405 3.39,406 2.376,407 2.647,409 8.155,410 2.36,411 3.392,412 2.776,413 5.675,414 3.251,415 2.296,416 2.423,418 7.436,419 2.13,420 3.117,421 2.478,422 5.475,423 3.019,424 2.076,425 2.154,427 6.288,428 1.941,429 2.956,430 2.365,431 5.387,432 2.915,433 1.936,434 1.988,436 5.905,437 1.889,438 2.871,439 2.057,440 5.116,441 2.562,442 1.573,443 1.952,445 4.71,446 1.552,447 2.603,448 1.863,449 4.772,450 2.457,451 1.471,452 1.618,454 4.128,455 1.448,456 2.58,457 1.747,458 4.256,459 2.379,460 1.374,461 1.574,463 3.529,464 1.376,465 2.535,466 1.604,467 4.219,468 2.149,469 1.254,470 1.511,472 2.977,473 1.097,474 21.657,475 0.481,476 2.056,477 0.046,478 37,479 0.822,480 9,481 0.2,482 28,483 0.622,484 85.196,485 1.893,486 52.743,487 0.549,488 27.849,489 0.619,490 4.723,491 0.105,492 16.238,493 0.361,494 0.232,495 0.139,496 0.272,498 3,501 0.567,502 1.069,503 0.832,504 1.1,505 0.601,506 1.085,507 0.446,508 0.798,509 0.814,510 0.945,511 0.364,512 0.911,513 0.577,514 0.988,515 0.946,516 1.143,517 0.531,518 1.166,519 0.66,520 1.009,521 1.14,522 1.239,523 0.6,524 1.181,525 0.922,526 0.814,527 1,528 0.963,529 0.931,530 1.024,531 0.679,532 0.772,533 0.932,534 0.966,535 0.697,536 0.992,537 0.886,538 0.839,539 0.86,540 0.885,541 0.933,542 0.943,543 0.908,544 0.859,545 0.887,546 0.884,547 0.918,548 0.925,549 15.5,550 0.549,551 11.333,552 8.25,553 5.819,554 3.466,555 2.066,556 1.45,557 1.234,558 0.877,559 33049,560 76032,561 2.032,562 53.1,563 25,564 14,567 1,568 3,569 7,570 1,572 1.829,573 1.8,574 3.74,575 -0.451,582 141.358,583 1.472,584 3.245,585 4.928,586 5.665,587 5.897,588 5.918,589 3.277,590 5.058,591 5.456,592 3.967,593 3927.69,594 9.685,595 67941.5,600 632.156,601 1.933,602 5.348,603 0.304,604 0.01,605 0.135,606 0.08,607 0.057,608 0.039,609 0.026,610 0.02,611 0.017,612 0.013,613 0.701,614 0.17,615 0.63,616 0.83,617 257.293,618 -0.012,619 0.011,620 0.065,621 0.074,622 -0.064,623 0.069,624 0.291,625 0.267,626 0.16,627 0.164,628 0.327,629 0.172,630 -0.021,631 -0.065,632 -0.038,633 -0.062,634 0.005,635 -0.082,636 -0.008,637 -0.124,638 -0.121,639 -0.175,640 0.022,641 -0.145,642 -0.035,643 0.03,644 -0.058,645 -0.017,646 -0.046,647 -0.049,648 0.015,649 -0.033,650 -0.009,651 -0.021,652 0.016,653 -0.01,654 -0.026,655 0.008,656 0.033,657 0.033,658 -0.035,659 0.03,660 -0.044,661 0.03,662 0.034,663 0.059,664 -0.056,665 0.055,666 5.67,667 7.775,668 0.622,669 60.499,670 0.994,671 1.137,672 5.888,673 34.668,674 0.637,675 3.951,676 4.477,677 4.883,678 5.268,679 5.609,680 5.878,681 6.17,682 6.457,683 6.709,684 6.926,685 8.285,686 0.589,687 644.97,688 3.951,689 5.624,690 6.578,691 7.58,692 8.567,693 9.58,694 10.585,695 11.606,696 12.624,697 13.653,698 2.1,701 1,707 1,715 4,720 2,722 6,741 96,743 8,744 1,745 51,747 102,748 37,749 6,750 2,751 4,756 7,757 26,763 7,764 5,766 5,767 9,768 3,769 1,770 10,772 8,773 29,774 4,777 2,782 1,785 1,786 2,791 3,793 51,794 7,795 1,796 8,797 1,802 2,808 0.286,809 2,811 1,826 1,828 1,829 5,830 1,832 1,833 3,834 2,841 1,855 1,857 1,859 2,860 1,862 1,864 7,866 3,868 45,875 1,876 9,879 1,880 7,881 1,882 6,892 3,893 2.1,894 1,896 1,901 25,902 19.029,903 9.097,904 6.359,907 1.302,908 1.127,909 0.907,910 7.218,911 11.567,912 4.043,913 4.63,914 5.116,915 5.572,916 5.975,917 6.189,918 6.476,919 6.748,920 7.025,921 7.286,922 0.9,923 103,924 17.558,926 8.652,927 0.026,929 7.785,931 33.524,933 31.949,936 2.285,937 102.833,941 588.555,942 172.605,943 19.91,945 67.828,946 44.88,947 32.22,948 140.386,949 656.383,950 64.79,951 61.348,952 20.747,953 80.588,954 31.4,955 71.161,957 620.775,958 7.76,959 588.555,960 160.296,961 112.709,962 32.22,964 494.386,965 164.194,966 42.683,968 101.368,969 58.928,971 32.22,972 633.435,973 87.738,974 172.605,977 596.315,978 65.593,979 102.377,981 129.494,982 588.555,983 132.618,984 172.605,986 0.631,987 0.39,988 0.21,989 0.115,990 51,991 24,992 0.049,993 5,994 5,995 1.357,996 4.774,997 557.237,998 0.357,999 28,1000 240.379,1001 1,1005 32.209,1006 10.085,1007 4.193,1009 132.618,1010 5.786,1015 -0.366,1017 42.683,1018 893.779,1019 56,1024 14.775,1027 5.313,1028 1.696,1031 95.446,1032 109.15,1034 0.224,1035 0.493,1036 0.748,1037 0.86,1038 0.896,1039 0.899,1040 5.479,1041 2.376,1042 6.725,1043 8.389,1044 5.165,1045 5.318,1046 4.069,1047 7.841,1048 5.103,1049 6.761,1050 2.296,1051 8.5,1052 8.155,1053 5.407,1054 5.521,1055 4.211,1056 9.684,1057 5.322,1058 8.185,1059 2.076,1060 10.405,1061 7.436,1062 7.185,1063 7.446,1064 6.444,1065 12.929,1066 7.096,1067 9.645,1068 1.936,1069 12.39,1070 6.288,1071 8.183,1072 8.375,1073 7.007,1074 15.549,1075 8.094,1076 11.146,1077 1.573,1078 14.428,1079 5.905,1080 9.634,1081 9.942,1082 9.038,1083 18.537,1084 9.546,1085 12.674,1086 1.471,1087 16.503,1088 4.71,1089 10.896,1090 11.149,1091 9.748,1092 21.391,1093 10.818,1094 14.224,1095 1.374,1096 18.604,1097 4.128,1098 12.288,1099 12.615,1100 11.675,1101 24.345,1102 12.216,1103 4.273,1104 1.254,1105 20.724,1106 3.529,1107 13.641,1108 13.936,1109 12.483,1110 27.273,1111 13.58,1112 3.894,1113 20.02,1114 22.86,1115 2.977,1116 15.034,1117 15.372,1118 14.325,1119 30.23,1120 14.981,1121 3.486,1122 17.406,1123 25.007,1124 4.322,1125 16.423,1126 16.745,1127 15.21,1128 33.186,1129 16.38,1130 3.378,1131 14.502,1132 27.164,1133 3.996,1134 17.827,1135 18.174,1136 16.981,1137 36.153,1138 17.792,1139 2.903,1140 12.242,1141 29.328,1142 3.897,1143 19.235,1144 19.574,1145 17.932,1146 39.123,1147 19.207,1148 2.686,1149 11.242,1150 31.498,1151 3.585,1152 20.65,1153 21.003,1154 19.641,1155 42.097,1156 20.629,1157 2.515,1158 9.4,1159 33.674,1160 3.115,1161 22.068,1162 22.419,1163 20.647,1164 45.074,1165 22.054,1166 30879,1167 47135,1168 31.898,1169 61.177,1170 82.36,1171 86.52,1172 89.002,1173 81.548,1174 81.391,1175 88.069,1176 23.229,1177 289.387,1178 78.386,1179 6.286,1180 6.588,1181 8.826,1182 6.431,1183 6.273,1184 7.322,1185 7.376,1186 30.405,1187 6.279,1188 31.687,1189 1.615,1190 1.696,1191 1.745,1192 1.599,1193 1.596,1194 1.727,1195 0.455,1196 5.674,1197 1.537,1198 4.222,1199 4.25,1200 4.177,1201 4.161,1202 8.513,1203 4.154,1204 3.981,1205 4.017,1206 3.991,1207 3.9,1208 7.999,1209 3.897,1210 3.937,1211 3.968,1212 3.918,1213 3.868,1214 7.999,1215 3.858,1216 3.784,1217 3.826,1218 3.796,1219 3.709,1220 7.426,1221 3.681,1222 3.605,1223 3.673,1224 3.488,1225 3.469,1226 6.449,1227 3.456,1228 3.541,1229 3.604,1230 3.406,1231 3.397,1232 4.714,1233 3.389,1234 3.451,1235 3.519,1236 3.323,1237 3.306,1238 4.661,1239 3.291,1240 3.348,1241 3.408,1242 3.289,1243 3.196,1244 4.458,1245 3.178,1246 0.104,1247 0.09,1248 0.179,1249 0.103,1250 0.084,1251 5.286,1252 0.085,1253 4.588,1254 0.075,1255 9.146,1256 0.393,1257 5.274,1258 0.084,1259 4.273,1260 4.322,1261 3.828,1262 20.02,1263 4.279,1264 2.011,1265 1.981,1266 2.147,1267 2.107,1268 1.634,1269 2.126,1270 1.936,1271 1.909,1272 2.058,1273 2.045,1274 1.488,1275 2.051,1276 1.888,1277 1.856,1278 2.026,1279 1.992,1280 1.336,1281 2.009,1282 1.735,1283 1.688,1284 1.931,1285 1.894,1286 1.183,1287 1.908,1288 1.66,1289 1.605,1290 1.905,1291 1.816,1292 1.151,1293 1.852,1294 1.47,1295 1.401,1296 1.748,1297 1.678,1298 1.079,1299 1.699,1300 1.44,1301 1.379,1302 1.707,1303 1.636,1304 0.995,1305 1.668,1306 1.388,1307 1.323,1308 1.672,1309 1.561,1310 0.922,1311 1.609,1312 4.635,1313 1.946,1314 6.111,1315 4.394,1316 7.803,1317 6.735,1318 9.607,1319 8.98,1320 11.48,1322 15.434,1324 41.446,1327 11.854,1328 7.614,1331 1.945,1332 0.546,1333 1.967,1334 -5.177,1340 56.506,1341 141.358,1342 311.543,1343 473.059,1344 543.853,1345 566.117,1346 568.117,1347 141.269,1348 10.266,1349 52.9,1350 78.2,1351 38,1352 14.097,1353 3.17,1354 2.585,1355 62.3,1356 223,1357 243,1358 0.14,1359 335.603,1360 614.34,1361 810.631,1362 475869,1363 3.1,1364 32.535,1365 0.723,1366 0.641,1367 30.388,1368 28.823,1369 20.96,1370 0.411,1371 0.357,1372 17.162,1373 19.926,1374 16.359,1375 13.396,1376 20.203,1377 18.219,1378 22.312,1379 0.256,1380 0.207,1381 20.848,1382 17.996,1383 19.456,1384 0.149,1385 0.125,1386 19.569,1387 16.395,1388 17.335,1389 0.09,1390 0.072,1391 17.212,1392 13.8,1393 14.46,1394 0.053,1395 0.042,1396 14.739,1397 11.329,1398 0.218,1399 134.776,1400 0.177,1401 38.573,1402 0.394,1403 276,1404 720.369,1405 324.198,1406 641.194,1407 858.69,1408 596,1409 359,1410 602.544,1411 400.671,1412 612.879,1413 943.95,1414 574,1415 7.959}
{0 CHEMBL1783517,1 1.472,2 14.911,3 6.664,4 44.41,5 175.191,6 6.718,7 0.118,8 4.638,9 4.764,10 4.142,11 4.212,12 5.546,13 4.141,14 5.31,15 5.5,16 4.673,17 4.735,18 6.429,19 4.649,20 5.702,21 5.894,22 4.896,23 5.087,24 6.563,25 4.966,26 6.05,27 6.297,28 4.922,29 5.254,30 6.872,31 5.085,32 6.142,33 6.414,34 4.859,35 5.238,36 6.954,37 5.052,38 6.096,39 6.389,40 4.686,41 5.135,42 6.927,43 4.929,44 5.946,45 6.234,46 4.642,47 5.025,48 6.735,49 4.833,50 5.884,51 6.169,52 4.59,53 4.96,54 6.726,55 4.777,56 0.051,57 1.574,58 23.639,59 11.067,60 22.533,61 14.347,62 0.866,63 3.158,64 50.512,65 19.971,66 162.075,67 26.593,68 0.326,69 3.94,70 71.293,71 29.874,72 86.244,73 39.922,74 0.825,75 5.003,76 109.043,77 40.331,78 142.319,79 54.151,80 1.043,81 4.95,82 115.599,83 41.711,84 183.907,85 57.315,86 1.537,87 4.57,88 112.623,89 39.161,90 224.913,91 54.285,92 0.825,93 3.983,94 93.315,95 34.4,96 154.628,97 48.037,98 0.932,99 4.04,100 89.716,101 32.35,102 168.658,103 43.712,104 149,105 87,106 0.218,107 0.481,108 0.734,109 0.847,110 0.878,111 0.878,112 3.832,113 1.071,114 -7.12,115 -6.91,116 -6.39,121 38.5,122 6,123 7,124 4,125 5,126 1,127 2,129 3,134 1,144 4,145 2,158 1,160 1,176 27,180 9,185 2,187 42,192 12,197 2,200 44,206 14,209 1,211 5,214 37,219 11,224 2,227 37,231 1,232 5,235 1,237 4,239 33,243 1,244 6,249 4,251 33,256 6,261 4,264 29,269 7,274 2,277 23,281 4095,282 28.719,283 28.719,284 28.719,285 28.719,286 28.719,287 27.71,288 32.97,289 15.238,290 29.3,291 24.989,292 24.989,293 24.989,294 24.989,295 24.989,296 23.325,297 44.024,298 7.021,299 26.025,300 5.112,301 3.34,302 1.636,303 0.878,304 0.667,305 0.667,306 4.532,313 1483,314 5.958,315 33.61,317 68.989,318 440.718,319 79.63,321 113.334,322 386.343,323 261.575,325 2.669,326 68.122,329 0.5,330 0.5,331 0.67,332 0.8,333 1,334 0.67,335 1,336 0.73,337 97.5,338 671,339 5.286,340 4.588,341 9.146,342 5.274,343 4.273,344 4.322,345 3.828,346 20.02,347 4.279,348 4.895,349 4.46,350 8.655,351 4.891,352 3.894,353 3.898,354 3.825,355 17.406,356 3.884,357 4.514,358 4.45,359 7.865,360 4.473,361 3.486,362 3.865,363 2.178,364 14.502,365 3.445,366 4.453,367 3.91,368 7.116,369 4.182,370 3.32,371 3.585,372 0.916,373 11.69,374 2.913,375 3.953,376 3.58,377 7.051,378 3.878,379 2.911,380 3.124,381 0.694,382 11.244,383 2.814,384 3.912,385 3.237,386 6.643,387 3.619,388 2.687,389 3.107,390 0.172,391 9.401,392 2.507,393 3.752,394 3.129,395 6.153,396 3.523,397 2.552,398 2.858,400 8.389,401 2.452,402 3.553,403 2.94,404 5.933,405 3.394,406 2.378,407 2.647,409 8.155,410 2.399,411 3.391,412 2.745,413 5.597,414 3.288,415 2.311,416 2.413,418 7.285,419 2.239,420 3.114,421 2.456,422 5.474,423 3.021,424 2.077,425 2.143,427 6.218,428 1.95,429 2.956,430 2.363,431 5.265,432 2.915,433 1.936,434 1.989,436 5.902,437 1.89,438 2.889,439 2.057,440 5.113,441 2.569,442 1.601,443 1.952,445 4.748,446 1.544,447 2.603,448 1.911,449 4.772,450 2.478,451 1.513,452 1.604,454 4.363,455 1.442,456 2.569,457 1.826,458 4.514,459 2.391,460 1.392,461 1.573,463 4.116,464 1.378,465 2.535,466 1.73,467 4.223,468 2.149,469 1.255,470 1.511,472 2.978,473 1.096,474 21.657,475 0.481,476 2.072,477 0.046,478 37,479 0.822,480 9,481 0.2,482 28,483 0.622,484 84.642,485 1.881,486 52.743,487 0.549,488 27.537,489 0.612,490 4.707,491 0.105,492 16.237,493 0.361,494 0.232,495 0.139,496 0.272,498 3,501 0.567,502 1.069,503 0.832,504 1.1,505 0.602,506 1.085,507 0.446,508 0.798,509 0.814,510 0.945,511 0.363,512 0.911,513 0.578,514 0.997,515 0.955,516 1.155,517 0.522,518 1.18,519 0.678,520 0.952,521 1.154,522 1.205,523 0.618,524 1.163,525 0.75,526 0.824,527 0.957,528 1.009,529 0.734,530 1.052,531 0.732,532 0.694,533 0.958,534 0.916,535 0.778,536 0.968,537 0.556,538 0.758,539 0.771,540 0.912,541 0.597,542 0.954,543 0.915,544 0.873,545 0.913,546 0.906,547 0.905,548 0.956,549 16,550 0.584,551 11.111,552 8,553 5.819,554 3.3,555 2.107,556 1.428,557 1.054,558 0.893,559 33705,560 78684,561 2.032,562 53.1,563 25,564 14,567 1,568 3,569 7,570 1,572 1.829,573 1.8,574 3.8,575 -0.451,582 141.358,583 1.472,584 3.245,585 4.949,586 5.707,587 5.918,588 5.918,589 3.406,590 5.103,591 5.453,592 4.011,593 3970.68,594 9.678,595 69249.3,600 632.156,601 1.933,602 5.348,603 0.314,604 0.01,605 0.132,606 0.078,607 0.059,608 0.037,609 0.028,610 0.02,611 0.015,612 0.015,613 0.707,614 0.17,615 0.63,616 0.83,617 258.121,618 -0.012,619 0.011,620 0.065,621 0.074,622 -0.064,623 0.069,624 0.291,625 0.267,626 0.16,627 0.164,628 0.328,629 0.172,630 -0.022,631 -0.074,632 -0.047,633 -0.075,634 0.015,635 -0.096,636 -0.025,637 -0.073,638 -0.134,639 -0.145,640 0.004,641 -0.131,642 -0.036,643 -0.065,644 -0.039,645 -0.056,646 -0.022,647 -0.062,648 0.031,649 0.07,650 -0.024,651 0.02,652 -0.003,653 0.003,654 0.04,655 -0.046,656 0.084,657 0.01,658 0.024,659 0.035,660 -0.051,661 0.015,662 0.008,663 0.037,664 -0.043,665 0.024,666 5.633,667 7.77,668 0.622,669 63.067,670 0.994,671 1.137,672 5.888,673 34.668,674 0.637,675 3.951,676 4.477,677 4.875,678 5.252,679 5.606,680 5.872,681 6.176,682 6.454,683 6.702,684 6.923,685 8.481,686 0.589,687 644.97,688 3.951,689 5.624,690 6.575,691 7.575,692 8.56,693 9.571,694 10.576,695 11.596,696 12.614,697 13.642,698 2.1,701 1,707 1,715 4,720 2,722 6,741 96,743 8,744 1,745 51,747 102,748 37,749 6,750 2,751 4,756 7,757 26,763 7,764 5,766 5,767 9,768 3,769 1,770 10,772 8,773 29,774 4,777 2,782 1,785 1,786 2,791 3,793 51,794 7,795 1,796 8,797 1,802 2,808 0.286,809 2,811 1,826 1,828 1,829 5,830 1,832 1,833 3,834 2,841 1,855 1,857 1,859 2,860 1,862 1,864 7,866 3,868 45,875 1,876 9,879 1,880 7,881 1,882 6,892 3,893 2.1,894 1,896 1,901 25,902 19.029,903 9.069,904 6.352,907 1.224,908 1.119,909 0.907,910 7.218,911 11.489,912 4.043,913 4.63,914 5.107,915 5.557,916 5.978,917 6.198,918 6.504,919 6.744,920 7.023,921 7.278,922 1,923 102,924 17.508,926 8.595,927 0.026,929 7.785,931 33.524,933 31.945,936 2.285,937 102.833,941 588.555,942 172.605,943 19.91,945 67.828,946 44.88,947 32.22,948 140.386,949 656.383,950 64.79,951 61.348,952 20.747,953 80.588,954 31.4,955 71.161,957 620.775,958 7.76,959 588.555,960 160.296,961 112.709,962 32.22,964 494.386,965 164.194,966 42.683,968 101.368,969 58.928,971 32.22,972 633.435,973 87.738,974 172.605,977 596.315,978 65.593,979 102.377,981 129.494,982 588.555,983 132.618,984 172.605,986 0.633,987 0.388,988 0.204,989 0.114,990 51,991 24,992 0.049,993 5,994 5,995 1.357,996 4.811,997 553.296,998 0.357,999 28,1000 238.379,1001 1,1005 32.209,1006 10.085,1007 4.258,1009 132.618,1010 5.548,1015 -0.035,1017 42.683,1018 893.779,1019 56,1024 14.77,1027 5.318,1028 1.726,1031 95.446,1032 109.15,1034 0.224,1035 0.493,1036 0.751,1037 0.867,1038 0.899,1039 0.899,1040 5.479,1041 2.378,1042 6.723,1043 8.389,1044 5.165,1045 5.318,1046 4.069,1047 7.834,1048 5.103,1049 6.761,1050 2.311,1051 8.495,1052 8.155,1053 5.407,1054 5.521,1055 4.211,1056 9.675,1057 5.322,1058 8.184,1059 2.077,1060 10.397,1061 7.285,1062 7.182,1063 7.44,1064 6.444,1065 12.917,1066 7.092,1067 9.642,1068 1.936,1069 12.381,1070 6.218,1071 8.178,1072 8.359,1073 7.007,1074 15.54,1075 8.088,1076 11.141,1077 1.601,1078 14.418,1079 5.902,1080 9.627,1081 9.923,1082 9.038,1083 18.529,1084 9.539,1085 12.666,1086 1.513,1087 16.492,1088 4.748,1089 10.888,1090 11.116,1091 9.748,1092 21.386,1093 10.81,1094 14.214,1095 1.392,1096 18.593,1097 4.363,1098 12.279,1099 12.578,1100 11.675,1101 24.34,1102 12.209,1103 4.273,1104 1.255,1105 20.715,1106 4.116,1107 13.633,1108 13.887,1109 12.483,1110 27.27,1111 13.573,1112 3.894,1113 20.02,1114 22.851,1115 2.978,1116 15.026,1117 15.319,1118 14.325,1119 30.228,1120 14.975,1121 3.486,1122 17.406,1123 24.999,1124 4.322,1125 16.416,1126 16.684,1127 15.21,1128 33.185,1129 16.375,1130 3.32,1131 14.502,1132 27.157,1133 3.898,1134 17.82,1135 18.109,1136 16.981,1137 36.152,1138 17.788,1139 2.911,1140 11.69,1141 29.322,1142 3.865,1143 19.229,1144 19.504,1145 17.932,1146 39.122,1147 19.204,1148 2.687,1149 11.244,1150 31.493,1151 3.585,1152 20.644,1153 20.93,1154 19.641,1155 42.097,1156 20.627,1157 2.552,1158 9.401,1159 33.669,1160 3.124,1161 22.063,1162 22.343,1163 20.647,1164 45.074,1165 22.052,1166 31486,1167 48452,1168 31.898,1169 61.177,1170 82.327,1171 86.662,1172 88.808,1173 81.631,1174 81.484,1175 88.161,1176 23.229,1177 289.121,1178 78.47,1179 6.286,1180 6.588,1181 8.692,1182 6.431,1183 6.273,1184 7.322,1185 7.376,1186 30.405,1187 6.279,1188 31.899,1189 1.614,1190 1.699,1191 1.741,1192 1.601,1193 1.598,1194 1.729,1195 0.455,1196 5.669,1197 1.539,1198 4.222,1199 4.25,1200 4.177,1201 4.161,1202 8.513,1203 4.154,1204 3.978,1205 4.015,1206 3.99,1207 3.899,1208 7.999,1209 3.894,1210 3.936,1211 3.967,1212 3.912,1213 3.867,1214 7.999,1215 3.858,1216 3.785,1217 3.826,1218 3.797,1219 3.709,1220 7.426,1221 3.682,1222 3.611,1223 3.679,1224 3.507,1225 3.471,1226 6.449,1227 3.458,1228 3.546,1229 3.608,1230 3.419,1231 3.401,1232 4.712,1233 3.394,1234 3.453,1235 3.521,1236 3.324,1237 3.309,1238 4.66,1239 3.295,1240 3.351,1241 3.409,1242 3.287,1243 3.196,1244 4.457,1245 3.179,1246 0.104,1247 0.09,1248 0.179,1249 0.103,1250 0.084,1251 5.286,1252 0.085,1253 4.588,1254 0.075,1255 9.146,1256 0.393,1257 5.274,1258 0.084,1259 4.273,1260 4.322,1261 3.828,1262 20.02,1263 4.279,1264 2.011,1265 1.981,1266 2.147,1267 2.107,1268 1.634,1269 2.126,1270 1.935,1271 1.907,1272 2.058,1273 2.043,1274 1.488,1275 2.05,1276 1.888,1277 1.856,1278 2.026,1279 1.993,1280 1.336,1281 2.009,1282 1.736,1283 1.689,1284 1.93,1285 1.896,1286 1.176,1287 1.909,1288 1.66,1289 1.605,1290 1.905,1291 1.817,1292 1.151,1293 1.852,1294 1.472,1295 1.403,1296 1.748,1297 1.685,1298 1.079,1299 1.701,1300 1.442,1301 1.382,1302 1.707,1303 1.637,1304 0.995,1305 1.669,1306 1.389,1307 1.324,1308 1.672,1309 1.561,1310 0.926,1311 1.609,1312 4.635,1313 1.946,1314 6.111,1315 4.394,1316 7.801,1317 6.735,1318 9.602,1319 8.98,1320 11.471,1322 15.628,1324 40.235,1327 11.852,1328 7.975,1331 1.951,1332 0.797,1333 2.083,1334 -5.014,1340 56.506,1341 141.358,1342 311.543,1343 475.059,1344 547.853,1345 568.117,1346 568.117,1347 137.851,1348 10.266,1349 52.9,1350 78.2,1351 38,1352 14.087,1353 3.17,1354 2.585,1355 62.365,1356 227,1357 243,1358 0.137,1359 335.603,1360 614.34,1361 810.631,1362 475869,1363 3.1,1364 32.535,1365 0.723,1366 0.641,1367 30.388,1368 28.823,1369 20.944,1370 0.411,1371 0.357,1372 17.156,1373 19.91,1374 16.349,1375 13.391,1376 20.186,1377 18.213,1378 22.391,1379 0.257,1380 0.207,1381 20.964,1382 18.039,1383 19.472,1384 0.15,1385 0.126,1386 19.356,1387 16.339,1388 17.045,1389 0.09,1390 0.072,1391 17.291,1392 13.73,1393 14.443,1394 0.053,1395 0.042,1396 14.603,1397 11.304,1398 0.214,1399 134.675,1400 0.177,1401 38.723,1402 0.383,1403 276,1404 720.369,1405 324.198,1406 641.486,1407 858.19,1408 596,1409 358,1410 601.544,1411 399.671,1412 612.374,1413 941.56,1414 573,1415 8.523}
{0 CHEMBL1783518,1 1.472,2 15.533,3 6.664,4 44.41,5 175.191,6 6.718,7 0.118,8 4.638,9 4.764,10 4.142,11 4.212,12 5.546,13 4.141,14 5.31,15 5.5,16 4.673,17 4.735,18 6.429,19 4.649,20 5.702,21 5.894,22 4.896,23 5.087,24 6.563,25 4.966,26 6.05,27 6.297,28 4.916,29 5.252,30 6.882,31 5.082,32 6.141,33 6.417,34 4.822,35 5.232,36 6.934,37 5.04,38 6.067,39 6.357,40 4.662,41 5.129,42 6.843,43 4.918,44 5.957,45 6.252,46 4.609,47 5.015,48 6.753,49 4.816,50 5.837,51 6.121,52 4.573,53 4.949,54 6.607,55 4.76,56 0.051,57 1.574,58 23.639,59 11.067,60 22.533,61 14.347,62 0.866,63 3.158,64 50.512,65 19.971,66 161.964,67 26.593,68 0.326,69 3.94,70 71.293,71 29.874,72 86.105,73 39.922,74 0.823,75 4.999,76 109.042,77 40.319,78 149.375,79 54.143,80 1.122,81 4.853,82 115.761,83 41.565,84 187.32,85 57.237,86 1.087,87 4.29,88 107.714,89 38.738,90 185.131,91 54.157,92 1.192,93 3.99,94 95.457,95 34.099,96 173.174,97 47.924,98 0.643,99 3.692,100 83.884,101 31.367,102 123.372,103 43.485,104 149,105 87,106 0.218,107 0.481,108 0.725,109 0.831,110 0.865,111 0.865,112 3.832,113 1.071,114 -7.12,115 -6.91,116 -6.39,121 38.5,122 6,123 7,124 4,125 5,126 1,127 2,129 3,134 1,144 4,145 2,158 1,160 1,176 27,180 9,185 2,187 42,192 12,197 2,200 44,206 14,209 1,211 5,214 37,219 11,224 2,227 37,231 1,232 5,235 1,237 4,239 33,243 1,244 6,249 4,251 33,256 6,261 4,264 29,269 7,274 2,277 23,281 4195,282 28.719,283 28.719,284 28.719,285 28.719,286 28.719,287 27.71,288 32.97,289 15.195,290 29.3,291 24.972,292 24.972,293 24.972,294 24.972,295 24.972,296 23.319,297 42.553,298 6.99,299 26.008,300 5.112,301 3.34,302 1.699,303 0.982,304 0.75,305 0.75,306 4.532,313 1548,314 5.958,315 34.212,317 70.534,318 445.767,319 81.039,321 115.657,322 392.66,323 266.039,325 2.747,326 66.751,329 0.5,330 0.5,331 0.67,332 0.8,333 1,334 0.67,335 1,336 0.73,337 97.5,338 699,339 5.286,340 4.588,341 9.146,342 5.274,343 4.273,344 4.322,345 3.828,346 20.02,347 4.279,348 4.895,349 4.46,350 8.655,351 4.891,352 3.894,353 3.898,354 3.825,355 17.406,356 3.884,357 4.514,358 4.45,359 7.865,360 4.473,361 3.486,362 3.835,363 2.178,364 14.502,365 3.445,366 4.439,367 3.91,368 7.111,369 4.171,370 3.314,371 3.585,372 0.916,373 11.657,374 2.888,375 3.961,376 3.58,377 7.051,378 3.88,379 2.913,380 3.19,381 0.694,382 11.244,383 2.817,384 3.917,385 3.237,386 6.643,387 3.619,388 2.687,389 3.114,390 0.172,391 9.401,392 2.507,393 3.771,394 3.128,395 6.153,396 3.537,397 2.56,398 2.861,400 8.386,401 2.48,402 3.553,403 2.94,404 5.933,405 3.394,406 2.378,407 2.647,409 8.155,410 2.402,411 3.391,412 2.74,413 5.591,414 3.294,415 2.314,416 2.409,418 7.227,419 2.256,420 3.113,421 2.45,422 5.474,423 3.022,424 2.077,425 2.135,427 6.174,428 1.951,429 2.957,430 2.362,431 5.24,432 2.915,433 1.936,434 1.991,436 5.9,437 1.89,438 2.903,439 2.058,440 5.111,441 2.575,442 1.626,443 1.953,445 4.798,446 1.54,447 2.603,448 1.968,449 4.772,450 2.491,451 1.527,452 1.579,454 4.551,455 1.438,456 2.535,457 1.841,458 4.585,459 2.396,460 1.397,461 1.511,463 4.121,464 1.379,465 2.5,466 1.734,467 4.223,468 2.149,469 1.255,470 1.5,472 2.978,473 1.095,474 21.657,475 0.481,476 2.072,477 0.046,478 37,479 0.822,480 9,481 0.2,482 28,483 0.622,484 84.206,485 1.871,486 52.743,487 0.549,488 27.285,489 0.606,490 4.707,491 0.105,492 16.237,493 0.361,494 0.232,495 0.139,496 0.272,498 3,501 0.567,502 1.069,503 0.832,504 1.1,505 0.602,506 1.085,507 0.446,508 0.798,509 0.814,510 0.945,511 0.363,512 0.911,513 0.578,514 0.997,515 0.955,516 1.155,517 0.522,518 1.18,519 0.679,520 0.958,521 1.16,522 1.214,523 0.612,524 1.173,525 0.767,526 0.773,527 0.97,528 0.978,529 0.75,530 1.036,531 0.545,532 0.702,533 0.911,534 0.964,535 0.565,536 0.997,537 0.617,538 0.669,539 0.802,540 0.855,541 0.69,542 0.927,543 0.548,544 0.784,545 0.816,546 0.936,547 0.529,548 0.969,549 16,550 0.614,551 11.333,552 7.875,553 5.722,554 3.355,555 2.024,556 1.484,557 1.052,558 0.753,559 34361,560 81336,561 2.032,562 53.1,563 25,564 14,567 1,568 3,569 7,570 1,572 1.828,573 1.8,574 3.837,575 -0.451,582 141.358,583 1.472,584 3.245,585 4.886,586 5.603,587 5.835,588 5.835,589 3.387,590 5.058,591 5.451,592 4.052,593 4011.35,594 9.67,595 70542.2,600 632.156,601 1.933,602 5.348,603 0.314,604 0.011,605 0.135,606 0.077,607 0.058,608 0.039,609 0.027,610 0.021,611 0.015,612 0.013,613 0.711,614 0.17,615 0.63,616 0.83,617 258.915,618 -0.012,619 0.011,620 0.065,621 0.074,622 -0.064,623 0.069,624 0.291,625 0.267,626 0.16,627 0.164,628 0.327,629 0.172,630 -0.022,631 -0.074,632 -0.047,633 -0.075,634 0.015,635 -0.096,636 -0.025,637 -0.079,638 -0.141,639 -0.154,640 0.011,641 -0.141,642 -0.051,643 -0.019,644 -0.051,645 -0.029,646 -0.038,647 -0.05,648 0.031,649 -0.03,650 -0.004,651 -0.022,652 0.024,653 -0.01,654 0.058,655 0.072,656 0.066,657 0.055,658 0.003,659 0.049,660 0.021,661 -0.044,662 0.064,663 0.01,664 0.023,665 0.03,666 5.605,667 7.766,668 0.622,669 65.733,670 0.994,671 1.137,672 5.888,673 34.668,674 0.637,675 3.951,676 4.477,677 4.875,678 5.247,679 5.598,680 5.878,681 6.172,682 6.458,683 6.698,684 6.917,685 8.69,686 0.589,687 644.97,688 3.951,689 5.624,690 6.575,691 7.574,692 8.559,693 9.569,694 10.574,695 11.594,696 12.612,697 13.64,698 2.1,701 1,707 1,715 4,720 2,722 6,741 96,743 8,744 1,745 51,747 102,748 37,749 6,750 2,751 4,756 7,757 26,763 7,764 5,766 5,767 9,768 3,769 1,770 10,772 8,773 29,774 4,777 2,782 1,785 1,786 2,791 3,793 51,794 7,795 1,796 8,797 1,802 2,808 0.286,809 2,811 1,826 1,828 1,829 5,830 1,832 1,833 3,834 2,841 1,855 1,857 1,859 2,860 1,862 1,864 7,866 3,868 45,875 1,876 9,879 1,880 7,881 1,882 6,892 3,893 2.1,894 1,896 1,901 25,902 19.029,903 9.069,904 6.352,907 1.198,908 1.117,909 0.907,910 7.218,911 11.463,912 4.043,913 4.63,914 5.107,915 5.549,916 5.973,917 6.219,918 6.497,919 6.756,920 7.013,921 7.271,922 0.909,923 102,924 17.473,926 8.555,927 0.026,929 7.785,931 33.524,933 31.945,936 2.285,937 102.833,941 588.555,942 172.605,943 19.91,945 67.828,946 44.88,947 32.22,948 140.386,949 656.383,950 64.79,951 61.348,952 20.747,953 80.588,954 31.4,955 71.161,957 620.775,958 7.76,959 588.555,960 160.296,961 112.709,962 32.22,964 494.386,965 164.194,966 42.683,968 101.368,969 58.928,971 32.22,972 633.435,973 87.738,974 172.605,977 596.315,978 65.593,979 102.377,981 129.494,982 588.555,983 132.618,984 172.605,986 0.633,987 0.388,988 0.202,989 0.111,990 51,991 24,992 0.049,993 5,994 5,995 1.357,996 4.841,997 550.343,998 0.357,999 28,1000 236.379,1001 1,1005 32.209,1006 10.085,1007 4.258,1009 132.618,1010 5.397,1015 0.168,1017 42.683,1018 893.779,1019 56,1024 14.766,1027 5.322,1028 1.749,1031 95.446,1032 109.15,1034 0.224,1035 0.493,1036 0.742,1037 0.851,1038 0.886,1039 0.886,1040 5.479,1041 2.378,1042 6.723,1043 8.386,1044 5.165,1045 5.318,1046 4.069,1047 7.833,1048 5.103,1049 6.761,1050 2.314,1051 8.495,1052 8.155,1053 5.407,1054 5.521,1055 4.211,1056 9.675,1057 5.322,1058 8.184,1059 2.077,1060 10.397,1061 7.227,1062 7.182,1063 7.44,1064 6.444,1065 12.916,1066 7.092,1067 9.642,1068 1.936,1069 12.381,1070 6.174,1071 8.178,1072 8.359,1073 7.007,1074 15.54,1075 8.088,1076 11.14,1077 1.626,1078 14.418,1079 5.9,1080 9.627,1081 9.921,1082 9.038,1083 18.529,1084 9.539,1085 12.666,1086 1.527,1087 16.492,1088 4.798,1089 10.888,1090 11.113,1091 9.748,1092 21.386,1093 10.809,1094 14.214,1095 1.397,1096 18.593,1097 4.551,1098 12.279,1099 12.573,1100 11.675,1101 24.34,1102 12.208,1103 4.273,1104 1.255,1105 20.714,1106 4.121,1107 13.632,1108 13.881,1109 12.483,1110 27.269,1111 13.572,1112 3.894,1113 20.02,1114 22.851,1115 2.978,1116 15.025,1117 15.311,1118 14.325,1119 30.228,1120 14.974,1121 3.486,1122 17.406,1123 24.999,1124 4.322,1125 16.415,1126 16.674,1127 15.21,1128 33.185,1129 16.374,1130 3.314,1131 14.502,1132 27.156,1133 3.898,1134 17.82,1135 18.099,1136 16.981,1137 36.152,1138 17.787,1139 2.913,1140 11.657,1141 29.322,1142 3.835,1143 19.228,1144 19.493,1145 17.932,1146 39.122,1147 19.204,1148 2.687,1149 11.244,1150 31.493,1151 3.585,1152 20.644,1153 20.918,1154 19.641,1155 42.097,1156 20.626,1157 2.56,1158 9.401,1159 33.669,1160 3.19,1161 22.063,1162 22.331,1163 20.647,1164 45.074,1165 22.052,1166 32094,1167 49770,1168 31.898,1169 61.177,1170 82.396,1171 86.477,1172 88.77,1173 81.561,1174 81.405,1175 88.075,1176 23.229,1177 288.921,1178 78.396,1179 6.286,1180 6.588,1181 8.56,1182 6.431,1183 6.273,1184 7.322,1185 7.376,1186 30.405,1187 6.279,1188 32.09,1189 1.616,1190 1.696,1191 1.741,1192 1.599,1193 1.596,1194 1.727,1195 0.455,1196 5.665,1197 1.537,1198 4.222,1199 4.25,1200 4.177,1201 4.161,1202 8.513,1203 4.154,1204 3.978,1205 4.015,1206 3.99,1207 3.898,1208 7.999,1209 3.893,1210 3.936,1211 3.967,1212 3.91,1213 3.867,1214 7.999,1215 3.858,1216 3.785,1217 3.827,1218 3.798,1219 3.709,1220 7.426,1221 3.682,1222 3.614,1223 3.682,1224 3.516,1225 3.471,1226 6.449,1227 3.46,1228 3.549,1229 3.609,1230 3.423,1231 3.403,1232 4.711,1233 3.397,1234 3.455,1235 3.521,1236 3.324,1237 3.311,1238 4.66,1239 3.297,1240 3.354,1241 3.41,1242 3.287,1243 3.197,1244 4.457,1245 3.181,1246 0.104,1247 0.09,1248 0.179,1249 0.103,1250 0.084,1251 5.286,1252 0.085,1253 4.588,1254 0.075,1255 9.146,1256 0.393,1257 5.274,1258 0.084,1259 4.273,1260 4.322,1261 3.828,1262 20.02,1263 4.279,1264 2.011,1265 1.981,1266 2.147,1267 2.107,1268 1.634,1269 2.126,1270 1.935,1271 1.906,1272 2.059,1273 2.043,1274 1.488,1275 2.05,1276 1.888,1277 1.856,1278 2.026,1279 1.992,1280 1.335,1281 2.008,1282 1.737,1283 1.689,1284 1.931,1285 1.898,1286 1.175,1287 1.91,1288 1.66,1289 1.605,1290 1.905,1291 1.817,1292 1.151,1293 1.852,1294 1.474,1295 1.406,1296 1.748,1297 1.688,1298 1.079,1299 1.702,1300 1.444,1301 1.383,1302 1.707,1303 1.637,1304 0.995,1305 1.669,1306 1.389,1307 1.324,1308 1.672,1309 1.561,1310 0.927,1311 1.609,1312 4.635,1313 1.946,1314 6.111,1315 4.394,1316 7.801,1317 6.735,1318 9.601,1319 8.98,1320 11.47,1322 15.771,1324 39.379,1327 11.851,1328 8.223,1331 1.957,1332 0.98,1333 2.159,1334 -4.887,1340 56.506,1341 141.358,1342 311.543,1343 469.059,1344 537.853,1345 560.117,1346 560.117,1347 135.649,1348 10.266,1349 52.9,1350 78.2,1351 38,1352 14.085,1353 3.17,1354 2.585,1355 62.448,1356 231,1357 264,1358 0.135,1359 335.603,1360 614.34,1361 810.631,1362 475869,1363 3.1,1364 32.535,1365 0.723,1366 0.641,1367 30.388,1368 28.823,1369 20.944,1370 0.411,1371 0.357,1372 17.156,1373 19.91,1374 16.35,1375 13.39,1376 20.186,1377 18.213,1378 22.379,1379 0.257,1380 0.207,1381 20.953,1382 18.036,1383 19.536,1384 0.15,1385 0.126,1386 19.446,1387 16.366,1388 17.018,1389 0.09,1390 0.072,1391 17.082,1392 13.684,1393 14.225,1394 0.053,1395 0.042,1396 14.761,1397 11.282,1398 0.211,1399 134.675,1400 0.177,1401 38.879,1402 0.373,1403 276,1404 720.369,1405 324.198,1406 641.421,1407 858.17,1408 596,1409 358,1410 601.544,1411 399.671,1412 612.239,1413 941.32,1414 573,1415 8.523}
{0 CHEMBL1783519,1 1.419,2 15.702,3 4.819,4 23.226,5 185.851,6 6.6,7 0.111,8 4.682,9 4.806,10 4.182,11 4.264,12 5.581,13 4.192,14 5.342,15 5.531,16 4.676,17 4.791,18 6.143,19 4.701,20 5.748,21 5.94,22 4.945,23 5.129,24 6.598,25 5.014,26 6.071,27 6.308,28 4.955,29 5.285,30 6.926,31 5.117,32 6.172,33 6.445,34 4.855,35 5.254,36 6.972,37 5.064,38 6.096,39 6.385,40 4.704,41 5.151,42 6.881,43 4.947,44 5.987,45 6.272,46 4.637,47 5.043,48 6.781,49 4.849,50 5.893,51 6.181,52 4.596,53 4.983,54 6.634,55 4.797,56 0.086,57 1.439,58 24.926,59 11.006,60 15.874,61 14.868,62 0.393,63 2.625,64 50.8,65 19.982,66 36.187,67 27.682,68 0.46,69 3.787,70 75.098,71 30.255,72 65.951,73 41.172,74 0.921,75 4.872,76 110.172,77 40.64,78 145.319,79 55.37,80 1.225,81 4.995,82 118.38,83 42.102,84 163.585,85 58.528,86 1.121,87 4.566,88 110.089,89 39.496,90 165.864,91 55.197,92 1.024,93 4.084,94 96.929,95 34.617,96 148.433,97 48.848,98 0.805,99 3.798,100 88.451,101 31.712,102 111.912,103 44.764,104 123,105 91,106 0.208,107 0.477,108 0.729,109 0.835,110 0.862,111 0.862,112 3.875,113 1.068,114 -5.8,115 -5.66,116 -5.28,121 39,122 6,123 7,124 4,125 5,126 1,127 3,129 3,144 4,145 2,158 1,160 3,176 27,179 2,180 12,185 2,187 42,191 1,192 16,197 2,200 44,205 1,206 18,209 1,211 5,214 35,218 2,219 16,224 2,227 32,231 1,232 8,235 1,237 3,239 23,243 1,244 16,247 1,249 2,251 23,256 9,261 2,264 20,268 1,269 15,272 2,274 3,277 22,281 4669,282 30.714,283 30.714,284 30.714,285 30.714,286 30.714,287 29.504,288 32.516,289 16.398,290 31.116,291 26.411,292 26.411,293 26.411,294 26.411,295 26.411,296 24.333,297 40.845,298 7.51,299 27.035,300 5.225,301 3.386,302 1.663,303 0.935,304 0.753,305 0.753,306 4.585,313 1667,314 5.657,315 35.395,317 163.726,318 450.894,319 83.778,321 297.217,322 405.293,323 274.627,325 2.802,326 60.997,329 0.5,330 0.5,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.8,337 99.5,338 738,339 5.286,340 4.588,341 9.146,342 5.274,343 4.273,344 4.322,345 3.828,346 20.02,347 4.279,348 4.895,349 4.45,350 8.655,351 4.891,352 3.894,353 4.146,354 2.178,355 17.406,356 3.884,357 4.586,358 3.953,359 7.865,360 4.473,361 3.486,362 3.897,363 1.349,364 14.502,365 3.445,366 4.514,367 3.91,368 7.051,369 4.291,370 3.302,371 3.585,372 0.8,373 11.69,374 3.262,375 3.938,376 3.58,377 6.964,378 3.867,379 2.896,380 3.115,381 0.8,382 11.24,383 2.817,384 3.882,385 3.256,386 6.643,387 3.618,388 2.686,389 2.9,390 0.694,391 9.392,392 2.507,393 3.56,394 3.237,395 6.145,396 3.426,397 2.45,398 2.805,400 8.301,401 2.414,402 3.543,403 3.066,404 5.933,405 3.381,406 2.371,407 2.65,409 8.15,410 2.355,411 3.441,412 2.937,413 5.69,414 3.194,415 2.226,416 2.648,418 7.27,419 2.147,420 3.416,421 2.585,422 5.491,423 3.066,424 2.099,425 2.43,427 6.459,428 2.093,429 3.122,430 2.422,431 5.483,432 3.049,433 2.026,434 2.126,436 6.426,437 1.983,438 2.956,439 2.37,440 5.471,441 2.916,442 1.937,443 1.956,445 5.91,446 1.895,447 2.812,448 2.058,449 5.118,450 2.562,451 1.573,452 1.919,454 4.728,455 1.553,456 2.629,457 1.913,458 4.772,459 2.438,460 1.451,461 1.607,463 4.128,464 1.427,465 2.535,466 1.831,467 4.225,468 2.381,469 1.383,470 1.512,472 3.199,473 1.376,474 22.867,475 0.487,476 1.942,477 0.041,478 42,479 0.894,480 12,481 0.255,482 30,483 0.638,484 85.937,485 1.828,486 53.333,487 0.533,488 30.824,489 0.656,490 5.55,491 0.118,492 16.61,493 0.353,494 0.211,495 0.109,496 0.319,501 0.664,502 1.278,503 0.866,504 1.094,505 0.613,506 1.066,507 0.638,508 1.011,509 0.862,510 0.942,511 0.521,512 0.895,513 0.858,514 1.167,515 0.988,516 1.118,517 0.788,518 1.117,519 0.896,520 1.202,521 1.222,522 1.251,523 0.82,524 1.182,525 1.149,526 0.984,527 1.026,528 0.982,529 1.115,530 1.021,531 0.927,532 0.938,533 0.972,534 0.96,535 0.903,536 0.967,537 1.021,538 0.95,539 0.889,540 0.909,541 1.078,542 0.96,543 0.968,544 0.872,545 0.883,546 0.852,547 0.921,548 0.892,549 14,550 0.606,551 11.778,552 9.111,553 5.642,554 3.279,555 1.962,556 1.418,557 1.163,558 0.908,559 40557,560 81652,561 2.084,562 53,563 25,564 16,567 1,568 3,569 7,570 1,572 1.838,573 1.861,574 3.862,575 -0.463,582 141.92,583 1.419,584 3.258,585 4.98,586 5.708,587 5.891,588 5.891,589 3.43,590 5.214,591 5.518,592 4.084,593 4414.66,594 9.8,595 80221.5,600 664.386,601 1.889,602 5.428,603 0.259,604 0.01,605 0.134,606 0.084,607 0.055,608 0.037,609 0.025,610 0.02,611 0.016,612 0.013,613 0.652,614 0.17,615 0.63,616 0.727,617 273.944,618 -0.005,619 -0.037,620 0.081,621 0.056,622 -0.036,623 0.062,624 0.081,625 0.156,626 0.136,627 0.152,628 0.042,629 0.174,630 -0.025,631 -0.045,632 -0.021,633 -0.05,634 -0.004,635 -0.06,636 0.003,637 -0.151,638 -0.151,639 -0.182,640 0.05,641 -0.161,642 -0.061,643 -0.025,644 -0.055,645 -0.027,646 -0.056,647 -0.051,648 0.016,649 -0.004,650 -0.006,651 -0.003,652 0.021,653 0.005,654 -0.007,655 -0.022,656 0.024,657 0.014,658 -0.038,659 0.005,660 -0.048,661 0.08,662 0.052,663 0.085,664 -0.045,665 0.077,666 1.897,667 7.852,668 0.66,669 68.051,670 0.988,671 1.126,672 4.573,673 20.915,674 0.645,675 4.007,676 4.522,677 4.963,678 5.347,679 5.68,680 5.935,681 6.217,682 6.498,683 6.731,684 6.938,685 8.902,686 0.593,687 660.02,688 4.007,689 5.673,690 6.637,691 7.634,692 8.625,693 9.633,694 10.64,695 11.657,696 12.674,697 13.698,698 3,701 1,705 1,707 1,715 4,720 2,722 6,741 100,743 10,744 1,745 54,747 107,748 39,749 6,750 2,751 4,752 2,756 8,757 28,763 6,764 5,766 5,767 9,768 3,770 10,772 10,773 29,774 4,777 4,782 3,785 1,786 4,793 53,794 7,795 1,796 8,797 1,802 3,805 1,808 0.25,809 4,811 1,826 1,828 2,829 5,830 1,832 2,833 3,834 2,841 1,855 1,857 1,859 2,860 1,862 1,864 7,868 47,875 1,876 10,879 1,880 7,881 2,882 5,893 4,894 1,896 3,901 25.25,902 19.883,903 9.625,904 6.722,907 1.449,908 1.136,909 0.917,910 7.124,911 12.103,912 4.127,913 4.705,914 5.235,915 5.703,916 6.11,917 6.329,918 6.627,919 6.886,920 7.118,921 7.273,922 0.909,923 109,924 17.875,926 8.456,927 0.026,929 7.594,931 35.397,933 33.801,936 2.094,937 98.417,941 612.097,942 176.361,943 23.034,945 118.118,947 32.22,948 144.141,949 730.215,950 23.034,951 61.348,952 25.977,953 80.588,954 91.099,955 26.281,957 644.317,959 612.097,960 167.175,961 118.118,962 32.22,964 517.928,965 169.604,966 42.683,968 98.838,969 68.337,971 32.22,972 612.097,973 141.152,974 176.361,977 612.097,978 77.108,979 105.501,981 134.904,982 612.097,983 141.152,984 176.361,986 0.627,987 0.403,988 0.22,989 0.119,990 54,991 25,992 0.056,993 6,994 6,995 1.387,996 5.042,997 591.615,998 0.387,999 31,1000 247.066,1001 1,1005 32.366,1006 10.346,1007 3.995,1009 141.152,1010 7.034,1015 0.949,1017 42.683,1018 929.61,1019 61,1024 40.899,1027 5.346,1028 1.328,1031 98.781,1032 112.633,1034 0.214,1035 0.49,1036 0.75,1037 0.859,1038 0.887,1039 0.887,1040 5.547,1041 2.371,1042 6.763,1043 8.301,1044 5.209,1045 5.394,1046 3.758,1047 7.868,1048 5.174,1049 6.814,1050 2.226,1051 8.528,1052 8.15,1053 5.38,1054 5.545,1055 2.958,1056 9.665,1057 5.353,1058 8.227,1059 2.099,1060 10.422,1061 7.27,1062 7.197,1063 7.513,1064 6.016,1065 12.928,1066 7.151,1067 9.678,1068 2.026,1069 12.397,1070 6.459,1071 8.164,1072 8.427,1073 5.714,1074 15.538,1075 8.132,1076 11.172,1077 1.937,1078 14.427,1079 6.426,1080 9.626,1081 10.01,1082 8.57,1083 18.531,1084 9.587,1085 12.695,1086 1.573,1087 16.496,1088 5.91,1089 10.879,1090 11.22,1091 8.553,1092 21.385,1093 10.851,1094 14.242,1095 1.451,1096 18.594,1097 4.728,1098 12.274,1099 12.695,1100 11.181,1101 24.341,1102 12.247,1103 4.273,1104 1.383,1105 20.712,1106 4.128,1107 13.627,1108 14.025,1109 11.39,1110 27.269,1111 13.606,1112 3.894,1113 20.02,1114 22.847,1115 3.199,1116 15.021,1117 15.468,1118 13.809,1119 30.228,1120 15.003,1121 3.486,1122 17.406,1123 24.995,1124 4.322,1125 16.412,1126 16.851,1127 14.2,1128 33.185,1129 16.399,1130 3.302,1131 14.502,1132 27.152,1133 4.146,1134 17.817,1135 18.286,1136 16.446,1137 36.152,1138 17.808,1139 2.896,1140 11.69,1141 29.318,1142 3.897,1143 19.226,1144 19.695,1145 16.984,1146 39.122,1147 19.221,1148 2.686,1149 11.24,1150 31.489,1151 3.585,1152 20.642,1153 21.13,1154 19.089,1155 42.097,1156 20.64,1157 2.45,1158 9.392,1159 33.665,1160 3.115,1161 22.062,1162 22.552,1163 19.749,1164 45.074,1165 22.063,1166 36866,1167 52511,1168 34.501,1169 64.518,1170 87.345,1171 93.766,1172 94.153,1173 86.027,1174 86.078,1175 94.798,1176 19.298,1177 302.75,1178 84.346,1179 6.286,1180 6.588,1181 8.825,1182 6.431,1183 6.273,1184 7.322,1185 7.376,1186 30.405,1187 6.279,1188 31.13,1189 1.617,1190 1.736,1191 1.744,1192 1.593,1193 1.594,1194 1.756,1195 0.357,1196 5.606,1197 1.562,1198 4.223,1199 4.251,1200 4.178,1201 4.161,1202 7.447,1203 4.155,1204 4.018,1205 4.04,1206 3.992,1207 3.925,1208 7.425,1209 3.934,1210 3.959,1211 3.995,1212 3.98,1213 3.884,1214 7.408,1215 3.871,1216 3.795,1217 3.84,1218 3.808,1219 3.715,1220 6.449,1221 3.688,1222 3.659,1223 3.728,1224 3.549,1225 3.499,1226 4.7,1227 3.495,1228 3.564,1229 3.623,1230 3.431,1231 3.437,1232 4.66,1233 3.426,1234 3.473,1235 3.535,1236 3.357,1237 3.334,1238 4.464,1239 3.322,1240 3.431,1241 3.494,1242 3.289,1243 3.257,1244 4.328,1245 3.259,1246 0.098,1247 0.085,1248 0.169,1249 0.098,1250 0.079,1251 5.286,1252 0.08,1253 4.588,1254 0.071,1255 9.146,1256 0.371,1257 5.274,1258 0.079,1259 4.273,1260 4.322,1261 3.828,1262 20.02,1263 4.279,1264 2.011,1265 1.98,1266 2.147,1267 2.106,1268 1.634,1269 2.125,1270 1.895,1271 1.868,1272 2.046,1273 2.014,1274 1.488,1275 2.03,1276 1.887,1277 1.86,1278 1.986,1279 1.959,1280 1.336,1281 1.968,1282 1.764,1283 1.711,1284 1.962,1285 1.945,1286 1.154,1287 1.955,1288 1.663,1289 1.607,1290 1.908,1291 1.821,1292 1.11,1293 1.855,1294 1.576,1295 1.519,1296 1.802,1297 1.791,1298 1.085,1299 1.792,1300 1.458,1301 1.393,1302 1.736,1303 1.644,1304 1.074,1305 1.678,1306 1.398,1307 1.344,1308 1.672,1309 1.628,1310 0.995,1311 1.63,1312 4.691,1313 1.946,1314 6.159,1315 4.511,1316 7.847,1317 6.889,1318 9.646,1319 9.135,1320 11.514,1322 15.964,1327 11.947,1328 8.728,1331 1.973,1332 1.121,1333 3.562,1334 -0.436,1340 59.28,1341 141.92,1342 325.778,1343 498.043,1344 570.837,1345 589.101,1346 589.101,1347 132.896,1348 10.654,1349 91.97,1350 117.27,1351 43,1352 14.145,1353 3.459,1354 3,1355 61.471,1356 249,1357 264,1358 0.121,1359 352.732,1360 641.67,1361 852.425,1362 799893,1364 33.474,1365 0.712,1366 0.642,1367 33.828,1368 30.16,1369 22.16,1370 0.41,1371 0.356,1372 18.186,1373 21.199,1374 17.344,1375 14.206,1376 22.614,1377 19.221,1378 22.631,1379 0.249,1380 0.206,1381 23.163,1382 18.714,1383 21.291,1384 0.15,1385 0.121,1386 22.137,1387 17.207,1388 18.865,1389 0.09,1390 0.069,1391 19.629,1392 14.356,1393 15.67,1394 0.054,1395 0.04,1396 16.47,1397 11.69,1398 0.191,1399 141.415,1400 0.17,1401 40.264,1402 0.335,1403 290,1404 603.152,1405 328.358,1406 605.161,1407 838.75,1408 566,1409 381,1410 611.338,1411 419.871,1412 637.637,1413 968.92,1414 600,1415 7.155}
{0 CHEMBL1783520,1 1.323,2 11.229,3 4.138,4 17.126,5 144.604,6 6.035,8 4.479,9 4.614,10 3.91,11 4.05,12 5.279,13 3.954,14 5.159,15 5.366,16 4.417,17 4.593,18 5.827,19 4.48,20 5.577,21 5.775,22 4.716,23 4.97,24 6.317,25 4.83,26 5.94,27 6.192,28 4.74,29 5.153,30 6.648,31 4.958,32 6.042,33 6.325,34 4.653,35 5.118,36 6.772,37 4.905,38 5.95,39 6.252,40 4.416,41 4.964,42 6.699,43 4.727,44 5.765,45 6.077,46 4.249,47 4.771,48 6.454,49 4.531,50 5.582,51 5.897,52 4.092,53 4.62,54 6.193,55 4.377,56 0.101,57 1.191,58 22.439,59 9.559,60 12.268,61 13.208,62 0.265,63 2.175,64 44.445,65 17.317,66 18.5,67 24.377,68 0.386,69 3.225,70 66.27,71 26.7,72 38.708,73 36.961,74 0.664,75 4.207,76 96.31,77 36.279,78 69.087,79 49.897,80 0.834,81 4.236,82 100.986,83 36.971,84 99.384,85 51.464,86 0.926,87 3.729,88 91.635,89 33.151,90 122,91 46.198,92 0.661,93 3.077,94 74.308,95 27.262,96 85.311,97 38.488,98 0.466,99 2.63,100 62.376,101 23.156,102 53.003,103 32.556,104 106,105 70,106 0.204,107 0.413,108 0.698,109 0.818,110 0.852,111 0.852,112 3.59,113 1.151,114 -5.58,115 -5.45,116 -5.09,121 36.1,122 6,123 7,124 4,125 5,126 2,127 1,129 3,158 1,160 1,176 21,180 8,185 2,187 36,192 10,197 2,200 41,206 12,209 1,211 5,214 35,219 10,224 2,227 32,231 1,232 5,235 1,237 3,239 23,243 1,244 6,249 2,251 19,256 5,261 2,264 14,269 5,274 1,277 8,281 1867,282 22.369,283 22.369,284 22.369,285 22.369,286 22.369,287 22.045,288 24.805,289 11.663,290 22.706,291 19.538,292 19.538,293 19.538,294 19.538,295 19.538,296 18.917,297 32.456,298 5.295,299 20.089,300 5.052,301 3.697,302 1.845,303 1.064,304 0.844,305 0.844,306 4.285,313 865,314 5.244,315 21.797,317 50.184,318 208.52,319 52.123,321 81.038,322 255.971,323 174.647,325 1.861,326 36.24,329 0.5,330 0.67,331 0.83,332 0.7,333 1,334 0.83,335 1,336 0.79,337 73,338 393,339 5.286,340 4.588,341 9.146,342 5.274,343 4.273,344 4.322,345 3.828,346 20.02,347 4.279,348 4.895,349 4.45,350 8.655,351 4.891,352 3.894,353 3.897,354 2.178,355 17.406,356 3.884,357 4.514,358 3.909,359 7.865,360 4.473,361 3.486,362 3.585,363 0.8,364 14.501,365 3.445,366 3.935,367 3.58,368 7.049,369 3.85,370 2.876,371 3.114,372 0.694,373 11.216,374 2.807,375 3.863,376 3.237,377 6.639,378 3.617,379 2.685,380 2.872,382 9.364,383 2.507,384 3.554,385 3.028,386 6.114,387 3.404,388 2.406,389 2.647,391 8.183,392 2.41,393 3.391,394 2.933,395 5.933,396 3.355,397 2.362,398 2.392,400 8.099,401 2.319,402 3.09,403 2.53,404 5.475,405 3.03,406 2.085,407 2.091,409 6.134,410 1.96,411 2.955,412 2.368,413 5.371,414 2.914,415 1.936,416 1.954,418 5.886,419 1.891,420 2.603,421 2.057,422 5.112,423 2.532,424 1.547,425 1.578,427 4.621,428 1.522,429 2.535,430 1.854,431 4.772,432 2.406,433 1.405,434 1.511,436 4.118,437 1.398,438 2.394,439 1.738,440 4.222,441 2.149,442 1.255,443 1.345,445 2.977,446 1.095,447 1.994,448 1.441,449 4,450 1.912,451 0.948,452 0.97,454 2.347,455 0.908,456 1.917,457 1.234,458 3.965,459 1.77,460 0.837,461 0.875,463 2.256,464 0.767,465 1.273,466 0.91,467 3.859,468 1.144,469 0.184,470 0.192,472 0.545,473 0.174,474 17.3,475 0.494,476 1.647,477 0.047,478 24.75,479 0.707,480 3,481 0.086,482 21.75,483 0.621,484 68.843,485 1.967,486 41.5,487 0.5,488 11.895,489 0.34,490 2.109,491 0.06,492 14.174,493 0.405,494 0.27,495 0.145,496 0.283,501 0.776,502 1.313,503 0.959,504 1.148,505 0.791,506 1.158,507 0.798,508 0.988,509 0.904,510 0.938,511 0.597,512 0.902,513 0.983,514 1.232,515 1.054,516 1.158,517 0.969,518 1.19,519 0.931,520 1.192,521 1.231,522 1.247,523 0.89,524 1.184,525 1.371,526 1.01,527 1.01,528 0.996,529 1.462,530 1.03,531 1.231,532 0.941,533 1.006,534 0.962,535 1.389,536 0.982,537 1.038,538 0.899,539 0.826,540 0.867,541 1.243,542 0.915,543 0.923,544 0.89,545 0.869,546 0.867,547 0.947,548 0.903,549 12.5,550 0.285,551 9.778,552 7,553 5.099,554 2.772,555 1.536,556 1.018,557 0.71,558 0.454,559 15104,560 24876,561 2.034,562 57.8,563 25,564 11,567 1,568 3,569 7,570 1,572 1.772,573 1.787,574 3.4,575 -0.458,582 109.843,583 1.323,584 2.678,585 4.53,586 5.311,587 5.531,588 5.531,589 2.962,590 4.958,591 5.093,592 3.554,593 2114.5,594 8.974,595 29263.9,600 529.128,601 1.95,602 4.978,603 0.313,604 0.011,605 0.146,606 0.082,607 0.062,608 0.039,609 0.028,610 0.022,611 0.018,612 0.015,613 0.736,614 0.33,615 0.63,616 1.045,617 182.114,618 0.004,619 -0.002,620 0.09,621 0.075,622 -0.081,623 0.072,624 0.014,625 0.212,626 0.16,627 0.198,628 0.017,629 0.224,630 -0.053,631 -0.052,632 -0.033,633 -0.038,634 -0.054,635 -0.063,636 -0.011,637 -0.111,638 -0.136,639 -0.155,640 0.003,641 -0.133,642 -0.083,643 -0.047,644 -0.05,645 -0.04,646 -0.062,647 -0.057,648 0.014,649 -0.015,650 -0.047,651 -0.024,652 0.023,653 -0.033,654 0.025,655 0.004,656 0.054,657 0.032,658 -0.005,659 0.026,660 -0.025,661 0.036,662 0.049,663 0.062,664 -0.03,665 0.049,666 1.649,667 7.454,668 0.629,669 34.811,670 0.979,671 1.131,672 4.347,673 18.898,674 0.627,675 3.714,676 4.263,677 4.71,678 5.112,679 5.481,680 5.768,681 6.073,682 6.366,683 6.605,684 6.808,685 6.347,686 0.564,687 500.87,688 3.714,689 5.398,690 6.375,691 7.393,692 8.403,693 9.431,694 10.455,695 11.49,696 12.523,697 13.562,698 2.4,701 1,707 1,741 83,743 2,745 40,747 88,748 30,756 6,757 25,763 6,764 5,766 5,767 9,768 3,770 10,772 2,773 28,774 4,777 2,782 1,785 1,786 2,793 48,794 4,795 1,796 5,797 1,802 2,808 0.167,809 2,811 1,826 1,828 1,829 4,830 1,832 1,833 3,834 2,841 1,855 1,857 1,859 1,860 1,862 1,864 8,868 35,875 1,876 8,879 1,880 7,881 1,882 5,893 2.4,894 1,896 1,901 19.583,902 17.017,903 7.069,904 5.601,907 0.38,908 1.04,909 0.882,910 5.259,911 9.893,912 3.761,913 4.331,914 4.804,915 5.231,916 5.62,917 5.916,918 6.227,919 6.544,920 6.815,921 7.05,922 0.875,923 85,924 13.303,926 6.228,927 0.026,929 7.407,931 27.082,933 26.403,936 1.907,937 66.75,941 553.242,942 126.86,943 19.91,945 67.828,947 32.22,948 94.641,949 621.07,950 19.91,951 69.744,952 18.641,953 42.683,954 31.4,955 19.91,957 585.461,959 553.242,960 114.551,961 67.828,962 32.22,964 459.073,965 119.314,966 42.683,968 91.502,969 23.048,971 32.22,972 553.242,973 87.738,974 126.86,977 553.242,978 57.116,979 72.868,981 84.614,982 553.242,983 87.738,984 126.86,986 0.637,987 0.405,988 0.217,989 0.122,990 43,991 20,992 0.034,993 3,994 5,995 1.455,996 4.005,997 408.091,998 0.455,999 22,1000 173.525,1001 1,1005 24.932,1006 7.382,1007 2.798,1009 87.738,1017 42.683,1018 767.84,1019 42,1024 14.454,1027 5.327,1028 1.912,1031 81.257,1032 93.885,1034 0.208,1035 0.42,1036 0.711,1037 0.833,1038 0.868,1039 0.868,1040 5.231,1041 2.085,1042 6.532,1043 8.099,1044 4.949,1045 5.017,1046 3.64,1047 7.682,1048 4.909,1049 6.516,1050 1.936,1051 8.331,1052 6.134,1053 5.231,1054 5.293,1055 2.938,1056 9.579,1057 5.204,1058 7.957,1059 1.547,1060 10.257,1061 5.886,1062 7.008,1063 7.119,1064 6,1065 12.848,1066 6.964,1067 9.433,1068 1.405,1069 12.262,1070 4.621,1071 8.043,1072 8.132,1073 5.709,1074 15.5,1075 8.014,1076 10.951,1077 1.255,1078 14.319,1079 4.118,1080 9.503,1081 9.623,1082 8.568,1083 18.502,1084 9.47,1085 12.497,1086 0.948,1087 16.41,1088 2.977,1089 10.791,1090 10.895,1091 8.552,1092 21.37,1093 10.768,1094 14.063,1095 0.837,1096 18.526,1097 2.347,1098 12.195,1099 12.317,1100 11.181,1101 24.33,1102 12.174,1103 4.273,1104 0.184,1105 20.659,1106 2.256,1107 13.566,1108 13.682,1109 11.39,1110 27.263,1111 13.551,1112 3.894,1113 20.02,1114 22.806,1115 0.545,1116 14.97,1117 15.096,1118 13.809,1119 30.224,1120 14.958,1121 3.486,1122 17.406,1123 24.963,1124 4.322,1125 16.372,1126 16.499,1127 14.2,1128 33.183,1129 16.364,1130 2.876,1131 14.501,1132 27.127,1133 3.897,1134 17.785,1135 17.921,1136 16.446,1137 36.151,1138 17.78,1139 2.685,1140 11.216,1141 29.298,1142 3.585,1143 19.2,1144 19.342,1145 16.984,1146 39.121,1147 19.199,1148 2.406,1149 9.364,1150 31.474,1151 3.114,1152 20.621,1153 20.772,1154 19.089,1155 42.096,1156 20.623,1157 2.362,1158 8.183,1159 33.654,1160 2.872,1161 22.045,1162 22.204,1163 19.749,1164 45.074,1165 22.05,1166 14380,1167 18461,1168 24.849,1169 52.08,1170 64.908,1171 70.054,1172 71.628,1173 64.397,1174 64.458,1175 66.792,1176 15.001,1177 235.65,1178 62.832,1179 6.286,1180 6.588,1181 8.311,1182 6.431,1183 6.273,1184 6.819,1185 7.376,1186 30.404,1187 6.279,1188 24.27,1189 1.623,1190 1.751,1191 1.791,1192 1.61,1193 1.611,1194 1.67,1195 0.375,1196 5.891,1197 1.571,1198 4.219,1199 4.246,1200 4.174,1201 4.158,1202 7.426,1203 4.151,1204 3.96,1205 3.998,1206 3.989,1207 3.884,1208 6.449,1209 3.872,1210 3.795,1211 3.84,1212 3.808,1213 3.715,1214 4.671,1215 3.687,1216 3.623,1217 3.698,1218 3.499,1219 3.474,1220 4.469,1221 3.461,1222 3.55,1223 3.613,1224 3.407,1225 3.406,1226 4.345,1227 3.397,1228 3.453,1229 3.521,1230 3.29,1231 3.309,1232 4.198,1233 3.294,1234 3.349,1235 3.409,1236 3.27,1237 3.196,1238 4.043,1239 3.178,1240 3.233,1241 3.324,1242 3.112,1243 3.038,1244 3.882,1245 3.022,1246 0.132,1247 0.115,1248 0.229,1249 0.132,1250 0.107,1251 5.286,1252 0.108,1253 4.588,1254 0.096,1255 9.146,1256 0.501,1257 5.274,1258 0.107,1259 4.273,1260 4.322,1261 3.828,1262 20.02,1263 4.279,1264 2.011,1265 1.98,1266 2.147,1267 2.106,1268 1.634,1269 2.125,1270 1.894,1271 1.86,1272 2.045,1273 2.009,1274 1.487,1275 2.027,1276 1.75,1277 1.699,1278 1.955,1279 1.927,1280 1.325,1281 1.941,1282 1.661,1283 1.605,1284 1.908,1285 1.817,1286 1.152,1287 1.854,1288 1.481,1289 1.408,1290 1.762,1291 1.706,1292 1.081,1293 1.725,1294 1.447,1295 1.384,1296 1.724,1297 1.637,1298 0.995,1299 1.673,1300 1.389,1301 1.324,1302 1.672,1303 1.561,1304 0.943,1305 1.609,1306 1.276,1307 1.222,1308 1.603,1309 1.5,1310 0.825,1311 1.531,1312 4.394,1313 1.946,1314 5.889,1315 4.394,1316 7.607,1317 6.735,1318 9.442,1319 8.98,1320 11.343,1322 18.43,1327 11.484,1328 8.575,1331 2.005,1332 2.112,1333 2.254,1334 0.198,1340 46.776,1341 109.843,1342 222.288,1343 376.031,1344 440.825,1345 459.089,1346 459.089,1347 90.644,1348 9.513,1349 52.9,1350 78.2,1351 32,1352 14,1353 1.585,1354 1.585,1355 46.937,1356 133,1357 153,1358 0.184,1359 281.038,1360 506.21,1361 677.492,1362 174855,1364 25.345,1365 0.724,1366 0.691,1367 25.698,1368 24.173,1369 16.283,1370 0.407,1371 0.384,1372 14.367,1373 15.534,1374 13.521,1375 11.139,1376 16.737,1377 15.352,1378 17.326,1379 0.248,1380 0.227,1381 17.858,1382 15.89,1383 15.914,1384 0.145,1385 0.134,1386 16.76,1387 14.772,1388 14.074,1389 0.085,1390 0.076,1391 14.838,1392 12.499,1393 12.044,1394 0.05,1395 0.044,1396 12.845,1397 10.481,1398 0.277,1399 104.545,1400 0.201,1401 30.866,1402 0.545,1403 220,1404 372.036,1405 250.848,1406 386.034,1407 541.57,1408 362,1409 293,1410 394.192,1411 323.695,1412 421.608,1413 642.17,1414 394,1415 7.222}
{0 CHEMBL1783521,1 1.335,2 11.118,3 3.602,4 12.977,5 139.31,6 6.085,8 4.445,9 4.581,10 3.883,11 4.023,12 5.249,13 3.928,14 5.124,15 5.325,16 4.39,17 4.568,18 5.801,19 4.453,20 5.554,21 5.757,22 4.692,23 4.939,24 6.292,25 4.799,26 5.895,27 6.143,28 4.715,29 5.117,30 6.619,31 4.925,32 6.002,33 6.282,34 4.599,35 5.075,36 6.741,37 4.859,38 5.901,39 6.211,40 4.357,41 4.897,42 6.64,43 4.656,44 5.665,45 5.971,46 4.185,47 4.688,48 6.372,49 4.455,50 5.503,51 5.817,52 4.026,53 4.55,54 6.099,55 4.304,56 0.099,57 1.15,58 21.595,59 9.256,60 12.015,61 12.733,62 0.239,63 2.106,64 42.851,65 17.02,66 18.721,67 23.755,68 0.382,69 3.132,70 64.59,71 25.912,72 39.103,73 35.825,74 0.644,75 4.049,76 92.817,77 34.829,78 69.939,79 47.766,80 0.826,81 4.075,82 97.646,83 35.549,84 99.604,85 49.389,86 0.885,87 3.526,88 87.606,89 31.469,90 119.375,91 43.854,92 0.635,93 2.816,94 68.23,95 24.821,96 80.845,97 34.943,98 0.411,99 2.456,100 58.049,101 21.616,102 46.04,103 30.383,104 87,105 68,106 0.207,107 0.43,108 0.709,109 0.835,110 0.87,111 0.87,112 3.562,113 1.153,114 -5.38,115 -5.27,116 -4.92,121 36.3,122 6,123 7,124 4,125 5,126 1,127 1,129 3,158 1,160 1,176 21,180 6,185 4,187 36,192 9,197 3,200 41,206 8,210 1,211 9,214 35,219 8,224 4,227 32,232 3,235 2,237 5,239 23,243 1,244 3,249 5,251 19,256 3,261 4,264 14,269 3,274 3,277 8,281 1720,282 22.032,283 22.032,284 22.032,285 22.032,286 22.032,287 21.708,288 24.613,289 11.519,290 22.344,291 19.002,292 19.002,293 19.002,294 19.002,295 19.002,296 18.381,297 32.671,298 5.153,299 19.479,300 4.987,301 3.55,302 1.754,303 0.944,304 0.716,305 0.716,306 4.26,312 1,313 836,314 5.05,315 20.783,317 48.406,318 199.209,319 49.762,321 78.187,322 244.331,323 167.171,325 1.785,326 36.43,329 0.75,330 0.67,331 1,332 1,333 1,334 1,335 1,336 0.92,337 71,338 378,339 5.286,340 4.588,341 9.146,342 5.274,343 4.272,344 4.322,345 3.828,346 20.02,347 4.279,348 4.893,349 4.45,350 8.654,351 4.89,352 3.892,353 3.895,354 2.178,355 17.398,356 3.883,357 4.514,358 3.906,359 7.864,360 4.473,361 3.485,362 3.585,363 0.694,364 14.5,365 3.445,366 3.929,367 3.579,368 7.029,369 3.786,370 2.801,371 3.114,372 0.4,373 11.104,374 2.762,375 3.79,376 3.236,377 6.62,378 3.616,379 2.681,380 2.795,382 9.298,383 2.507,384 3.551,385 2.951,386 5.999,387 3.395,388 2.378,389 2.644,391 8.163,392 2.406,393 3.274,394 2.857,395 5.931,396 3.255,397 2.271,398 2.275,400 7.75,401 2.229,402 2.963,403 2.39,404 5.474,405 2.929,406 1.953,407 1.963,409 5.93,410 1.907,411 2.907,412 2.205,413 5.134,414 2.833,415 1.88,416 1.905,418 5.253,419 1.782,420 2.536,421 2.05,422 4.785,423 2.488,424 1.511,425 1.521,427 4.247,428 1.473,429 2.516,430 1.821,431 4.753,432 2.357,433 1.351,434 1.474,436 4.025,437 1.353,438 2.389,439 1.712,440 4.221,441 2.146,442 1.244,443 1.34,445 2.975,446 1.093,447 1.927,448 1.421,449 4,450 1.773,451 0.838,452 0.879,454 2.274,455 0.769,456 1.464,457 0.917,458 3.859,459 1.375,460 0.432,461 0.438,463 0.816,464 0.405,465 1.263,466 0.822,467 3.73,468 1.142,469 0.183,470 0.19,472 0.539,473 0.172,474 16.8,475 0.494,476 1.52,477 0.045,478 24,479 0.706,480 3,481 0.088,482 21,483 0.618,484 65.927,485 1.939,486 40.2,487 0.502,488 10.88,489 0.32,490 1.952,491 0.057,492 13.958,493 0.411,494 0.248,495 0.149,496 0.268,501 0.794,502 1.243,503 0.954,504 1.11,505 0.79,506 1.132,507 0.722,508 1.035,509 0.907,510 0.984,511 0.607,512 0.941,513 0.966,514 1.195,515 1.021,516 1.12,517 0.953,518 1.152,519 0.94,520 1.201,521 1.245,522 1.26,523 0.884,524 1.194,525 1.397,526 1.03,527 1.037,528 1.016,529 1.493,530 1.058,531 1.12,532 0.894,533 0.954,534 0.917,535 1.265,536 0.927,537 1.12,538 0.915,539 0.86,540 0.883,541 1.339,542 0.938,543 0.79,544 0.92,545 0.868,546 0.895,547 0.743,548 0.925,549 12,550 0.244,551 9.556,552 7,553 4.824,554 2.636,555 1.434,556 0.938,557 0.642,558 0.419,559 14011,560 23483,561 2.052,562 57.5,563 25,564 8,567 2,568 3,569 7,570 1,572 1.765,573 1.813,574 3.373,575 0.089,582 106.789,583 1.335,584 2.772,585 4.568,586 5.378,587 5.606,588 5.606,589 2.952,590 4.83,591 5.051,592 3.517,593 1973.09,594 8.891,595 26690.1,600 505.754,601 1.949,602 4.942,603 0.308,604 0.01,605 0.147,606 0.084,607 0.06,608 0.04,609 0.028,610 0.022,611 0.017,612 0.015,613 0.731,614 0.33,615 0.75,616 1.047,617 175.088,618 -0.02,619 0.063,620 0.085,621 0.104,622 -0.081,623 0.09,624 0.028,625 0.158,626 0.146,627 0.163,628 0.012,629 0.194,630 -0.047,631 -0.031,632 -0.013,633 -0.015,634 -0.051,635 -0.038,636 -0.016,637 -0.117,638 -0.146,639 -0.164,640 0.012,641 -0.143,642 -0.102,643 -0.067,644 -0.078,645 -0.062,646 -0.086,647 -0.087,648 0.045,649 0.016,650 -0.003,651 0.011,652 0.054,653 0.013,655 -0.003,656 0.031,657 0.024,658 -0.034,659 0.008,660 -0.003,661 0.011,662 0.049,663 0.041,664 -0.009,665 0.033,666 1.653,667 7.366,668 0.647,669 32.55,670 0.98,671 1.131,672 4.154,673 17.259,674 0.629,675 3.689,676 4.234,677 4.691,678 5.1,679 5.46,680 5.753,681 6.054,682 6.346,683 6.581,684 6.781,685 6.192,686 0.566,687 486.84,688 3.689,689 5.371,690 6.351,691 7.371,692 8.382,693 9.412,694 10.437,695 11.473,696 12.507,697 13.547,698 2.5,700 1,707 1,741 80,743 2,745 39,747 85,748 29,756 6,757 25,763 6,764 5,766 5,767 9,768 3,770 10,772 2,773 27,774 4,777 2,782 1,785 1,786 2,793 46,794 4,795 2,796 5,797 1,802 2,808 0.167,809 2,811 1,826 1,828 1,829 4,830 1,832 1,833 3,834 2,841 1,853 1,857 1,859 1,860 1,862 1,864 7,868 34,875 1,876 8,877 1,879 1,880 7,882 5,893 2.5,894 1,896 1,901 18.75,902 16.067,903 6.958,904 5.468,907 0.383,908 1.041,909 0.885,910 5.034,911 9.835,912 3.738,913 4.304,914 4.787,915 5.22,916 5.602,917 5.903,918 6.209,919 6.526,920 6.793,921 7.027,922 0.875,923 83,924 12.926,926 6.085,927 0.026,929 7.419,931 26.3,933 25.785,936 1.919,937 65.25,941 517.928,942 118.464,943 34.796,945 67.828,947 32.22,948 86.244,949 585.757,950 34.796,951 61.348,952 18.641,953 60.694,954 31.4,955 16.786,957 550.148,959 517.928,960 121.041,961 67.828,962 32.22,964 423.76,965 119.314,966 42.683,968 106.389,969 14.652,971 32.22,972 517.928,973 102.625,974 118.464,977 517.928,978 57.116,979 61.348,980 18.011,981 84.614,982 517.928,983 102.625,984 118.464,986 0.632,987 0.408,988 0.224,989 0.123,990 42,991 19,992 0.035,993 3,994 5,995 1.455,996 3.954,997 393.076,998 0.455,999 22,1000 170.974,1001 1,1005 23.988,1006 7.134,1007 2.644,1009 102.625,1017 60.694,1018 739.017,1019 41,1024 14.366,1027 5.318,1028 1.903,1031 78.374,1032 90.47,1034 0.211,1035 0.438,1036 0.723,1037 0.851,1038 0.887,1039 0.887,1040 5.204,1041 1.953,1042 6.506,1043 7.75,1044 4.92,1045 4.99,1046 3.623,1047 7.661,1048 4.885,1049 6.488,1050 1.88,1051 8.306,1052 5.93,1053 5.198,1054 5.263,1055 2.917,1056 9.569,1057 5.179,1058 7.931,1059 1.511,1060 10.235,1061 5.253,1062 6.986,1063 7.099,1064 5.999,1065 12.839,1066 6.948,1067 9.411,1068 1.351,1069 12.244,1070 4.247,1071 8.023,1072 8.114,1073 5.708,1074 15.496,1075 8.001,1076 10.932,1077 1.244,1078 14.304,1079 4.025,1080 9.488,1081 9.61,1082 8.568,1083 18.499,1084 9.461,1085 12.48,1086 0.838,1087 16.399,1088 2.975,1089 10.779,1090 10.885,1091 8.552,1092 21.368,1093 10.761,1094 14.05,1095 0.432,1096 18.517,1097 2.274,1098 12.186,1099 12.309,1100 11.181,1101 24.328,1102 12.169,1103 4.272,1104 0.183,1105 20.652,1106 0.816,1107 13.559,1108 13.675,1109 11.39,1110 27.262,1111 13.547,1112 3.892,1113 20.02,1114 22.8,1115 0.539,1116 14.965,1117 15.091,1118 13.809,1119 30.223,1120 14.955,1121 3.485,1122 17.398,1123 24.958,1124 4.322,1125 16.367,1126 16.495,1127 14.2,1128 33.181,1129 16.361,1130 2.801,1131 14.5,1132 27.124,1133 3.895,1134 17.781,1135 17.917,1136 16.446,1137 36.15,1138 17.778,1139 2.681,1140 11.104,1141 29.295,1142 3.585,1143 19.197,1144 19.339,1145 16.984,1146 39.12,1147 19.197,1148 2.378,1149 9.298,1150 31.472,1151 3.114,1152 20.618,1153 20.77,1154 19.089,1155 42.095,1156 20.621,1157 2.271,1158 8.163,1159 33.652,1160 2.795,1161 22.043,1162 22.202,1163 19.749,1164 45.073,1165 22.048,1166 13303,1167 17222,1168 24.444,1169 50.319,1170 62.869,1171 68.019,1172 70.027,1173 62.292,1174 62.403,1175 64.738,1176 14.201,1177 228.74,1178 60.985,1179 6.286,1180 6.588,1181 8.689,1182 6.431,1183 6.272,1184 6.819,1185 7.376,1186 30.401,1187 6.279,1188 22.558,1189 1.612,1190 1.744,1191 1.796,1192 1.597,1193 1.6,1194 1.66,1195 0.364,1196 5.865,1197 1.564,1198 4.218,1199 4.245,1200 4.173,1201 4.158,1202 7.426,1203 4.151,1204 3.958,1205 3.996,1206 3.989,1207 3.883,1208 6.449,1209 3.87,1210 3.789,1211 3.833,1212 3.802,1213 3.712,1214 4.671,1215 3.684,1216 3.594,1217 3.665,1218 3.464,1219 3.464,1220 4.475,1221 3.449,1222 3.528,1223 3.596,1224 3.379,1225 3.379,1226 4.356,1227 3.367,1228 3.446,1229 3.516,1230 3.288,1231 3.292,1232 4.195,1233 3.277,1234 3.347,1235 3.408,1236 3.256,1237 3.195,1238 4.042,1239 3.176,1240 3.2,1241 3.282,1242 3.111,1243 3.038,1244 3.882,1245 3.002,1246 0.136,1247 0.118,1248 0.235,1249 0.135,1250 0.11,1251 5.286,1252 0.111,1253 4.588,1254 0.098,1255 9.146,1256 0.513,1257 5.274,1258 0.11,1259 4.272,1260 4.322,1261 3.828,1262 20.02,1263 4.279,1264 2.011,1265 1.98,1266 2.147,1267 2.106,1268 1.634,1269 2.125,1270 1.893,1271 1.858,1272 2.043,1273 2.005,1274 1.485,1275 2.024,1276 1.737,1277 1.687,1278 1.943,1279 1.909,1280 1.313,1281 1.925,1282 1.66,1283 1.604,1284 1.906,1285 1.817,1286 1.152,1287 1.853,1288 1.464,1289 1.395,1290 1.747,1291 1.668,1292 1.08,1293 1.693,1294 1.421,1295 1.359,1296 1.703,1297 1.635,1298 0.995,1299 1.665,1300 1.386,1301 1.319,1302 1.672,1303 1.56,1304 0.901,1305 1.609,1306 1.251,1307 1.194,1308 1.566,1309 1.479,1310 0.822,1311 1.501,1312 4.369,1313 1.946,1314 5.861,1315 4.394,1316 7.582,1317 6.735,1318 9.421,1319 8.98,1320 11.327,1322 16.083,1327 11.353,1328 8.554,1329 3.425,1331 2.002,1332 2.044,1334 0.202,1340 45.249,1341 106.789,1342 221.765,1343 365.411,1344 430.205,1345 448.47,1346 448.47,1347 87.139,1348 9.452,1349 61.69,1350 86.99,1351 32,1352 13.985,1353 1.585,1354 1.585,1355 45.003,1356 126,1357 145,1358 0.186,1359 271.445,1360 488.91,1361 654.086,1362 162668,1364 24.474,1365 0.72,1366 0.683,1367 24.828,1368 23.226,1369 15.91,1370 0.408,1371 0.384,1372 14.015,1373 15.193,1374 13.242,1375 10.883,1376 16.364,1377 14.989,1378 16.609,1379 0.244,1380 0.224,1381 17.14,1382 15.263,1383 15.553,1384 0.144,1385 0.134,1386 16.399,1387 14.432,1388 14.004,1389 0.086,1390 0.076,1391 14.767,1392 12.389,1393 11.775,1394 0.05,1395 0.044,1396 12.575,1397 10.265,1398 0.28,1399 102.123,1400 0.202,1401 30.107,1402 0.554,1403 214,1404 360.724,1405 244.488,1406 374.687,1407 527.37,1408 352,1409 286,1410 384.558,1411 315.863,1412 409.282,1413 626.57,1414 385,1415 7.119}
{0 CHEMBL1783522,1 1.369,2 11.919,3 3.398,4 11.546,5 148.875,6 6.222,8 4.505,9 4.636,10 3.956,11 4.075,12 5.35,13 3.987,14 5.179,15 5.38,16 4.464,17 4.611,18 5.912,19 4.504,20 5.6,21 5.794,22 4.758,23 4.983,24 6.395,25 4.854,26 5.947,27 6.187,28 4.785,29 5.173,30 6.713,31 4.989,32 6.073,33 6.352,34 4.704,35 5.148,36 6.835,37 4.943,38 5.984,39 6.281,40 4.55,41 5.002,42 6.809,43 4.787,44 5.803,45 6.09,46 4.37,47 4.832,48 6.618,49 4.62,50 5.677,51 5.988,52 4.226,53 4.698,54 6.411,55 4.467,56 0.091,57 1.214,58 22.429,59 9.72,60 13.808,61 13.265,62 0.304,63 2.21,64 44.903,65 17.629,66 28,67 24.574,68 0.436,69 3.272,70 67.278,71 26.65,72 56.144,73 36.717,74 0.709,75 4.263,76 97.874,77 36.567,78 88.648,79 50.053,80 0.937,81 4.37,82 105.518,83 38.081,84 124.464,85 52.994,86 1.097,87 3.863,88 96.601,89 34.249,90 164.702,91 47.814,92 0.842,93 3.225,94 79.641,95 28.217,96 124.004,97 39.601,98 0.671,99 2.86,100 69.783,101 25.214,102 104.711,103 35.564,104 128,105 73,106 0.209,107 0.428,108 0.719,109 0.836,110 0.869,111 0.869,112 3.643,113 1.131,114 -5.29,115 -5.18,116 -4.84,121 36.5,122 7,123 7,124 4,125 5,126 1,127 1,129 3,158 1,160 2,176 21,179 1,180 10,185 2,187 36,192 10,197 2,200 41,206 14,209 1,211 5,214 37,219 11,224 2,227 33,231 1,232 9,235 2,237 4,239 27,243 1,244 8,249 2,251 21,255 1,256 8,261 2,264 16,269 8,274 1,277 11,281 2189,282 23.576,283 23.576,284 23.576,285 23.576,286 23.576,287 23.07,288 25.754,289 12.305,290 23.876,291 20.495,292 20.495,293 20.495,294 20.495,295 20.495,296 19.586,297 32.459,298 5.584,299 20.988,300 5.04,301 3.61,302 1.707,303 0.945,304 0.73,305 0.73,306 4.337,312 1,313 964,314 5.523,315 23.994,317 54.006,318 228.407,319 57.239,321 87.256,322 280.836,323 190.838,325 1.98,326 45.169,329 0.75,330 0.67,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.85,337 78,338 441,339 5.286,340 4.588,341 9.146,342 5.274,343 4.273,344 4.322,345 3.828,346 20.02,347 4.279,348 4.895,349 4.45,350 8.655,351 4.892,352 3.894,353 3.898,354 2.178,355 17.407,356 3.884,357 4.515,358 3.917,359 7.865,360 4.473,361 3.486,362 3.586,363 1.94,364 14.502,365 3.445,366 4.025,367 3.677,368 7.058,369 3.925,370 2.957,371 3.136,372 0.694,373 11.284,374 2.863,375 3.922,376 3.576,377 6.655,378 3.621,379 2.688,380 3.097,381 0.555,382 9.469,383 2.514,384 3.638,385 3.236,386 6.259,387 3.534,388 2.547,389 2.691,391 8.635,392 2.503,393 3.546,394 2.949,395 5.933,396 3.391,397 2.374,398 2.632,400 8.158,401 2.4,402 3.223,403 2.857,404 5.744,405 3.157,406 2.179,407 2.23,409 7.011,410 2.124,411 2.959,412 2.405,413 5.474,414 2.921,415 1.941,416 1.959,418 5.92,419 1.902,420 2.858,421 2.314,422 5.126,423 2.704,424 1.707,425 1.845,427 4.925,428 1.687,429 2.537,430 2.054,431 4.773,432 2.473,433 1.493,434 1.52,436 4.157,437 1.459,438 2.524,439 1.841,440 4.604,441 2.341,442 1.332,443 1.471,445 3.802,446 1.338,447 2.39,448 1.73,449 4.221,450 2.146,451 1.24,452 1.34,454 2.975,455 1.093,456 1.929,457 1.432,458 4,459 1.773,460 0.839,461 0.88,463 2.275,464 0.769,465 1.734,466 1.14,467 3.859,468 1.568,469 0.588,470 0.631,472 1.415,473 0.57,474 18.133,475 0.49,476 1.736,477 0.047,478 27.5,479 0.743,480 4.5,481 0.122,482 23,483 0.622,484 72.254,485 1.953,486 43.667,487 0.514,488 15.396,489 0.416,490 2.681,491 0.072,492 14.512,493 0.392,494 0.276,495 0.138,496 0.298,501 0.693,502 1.304,503 0.926,504 1.143,505 0.676,506 1.141,507 0.629,508 1.031,509 0.867,510 0.966,511 0.524,512 0.914,513 0.995,514 1.187,515 1.045,516 1.117,517 0.922,518 1.153,519 0.902,520 1.22,521 1.257,522 1.279,523 0.843,524 1.22,525 1.199,526 1.008,527 1.006,528 0.997,529 1.202,530 1.034,531 0.984,532 0.913,533 0.933,534 0.932,535 1.034,536 0.932,537 1.274,538 0.96,539 0.935,540 0.929,541 1.426,542 0.997,543 0.796,544 0.878,545 0.828,546 0.855,547 0.788,548 0.884,549 13,550 0.327,551 10.222,552 7.25,553 5.099,554 3.081,555 1.728,556 1.143,557 0.794,558 0.544,559 17614,560 33069,561 2.016,562 56.5,563 25,564 8,567 1,568 6,569 7,570 1,572 1.785,573 1.769,574 3.483,575 -0.445,582 116.385,583 1.369,584 2.8,585 4.702,586 5.465,587 5.68,588 5.68,589 3.105,590 4.993,591 5.172,592 3.644,593 2426.63,594 9.132,595 35166.7,600 544.798,601 1.941,602 5.055,603 0.31,604 0.011,605 0.146,606 0.081,607 0.059,608 0.041,609 0.027,610 0.022,611 0.017,612 0.015,613 0.729,614 0.33,615 0.75,616 1.17,617 196.587,618 -0.005,619 -0.002,620 0.082,621 0.073,622 -0.056,623 0.068,624 0.082,625 0.16,626 0.167,627 0.171,628 0.049,629 0.206,630 -0.082,631 -0.012,632 -0.042,633 -0.012,634 -0.056,635 -0.048,636 -0.04,637 -0.13,638 -0.172,639 -0.178,640 -0.018,641 -0.166,642 -0.083,643 -0.046,644 -0.055,645 -0.04,646 -0.074,647 -0.059,648 0.091,649 0.012,650 0.021,651 0.008,652 0.095,653 0.023,654 -0.061,655 -0.035,656 -0.028,657 -0.015,658 -0.074,659 -0.043,660 0.065,661 0.039,662 0.083,663 0.067,664 0.079,665 0.068,666 1.811,667 7.521,668 0.595,669 40.093,670 0.983,671 1.131,672 4.059,673 16.475,674 0.63,675 3.761,676 4.304,677 4.745,678 5.136,679 5.497,680 5.799,681 6.096,682 6.394,683 6.637,684 6.847,685 6.711,686 0.57,687 528.88,688 3.761,689 5.442,690 6.415,691 7.428,692 8.434,693 9.458,694 10.479,695 11.512,696 12.542,697 13.581,698 2.4,705 1,707 1,741 85,743 3,745 42,747 90,748 31,756 6,757 25,763 7,764 5,766 5,767 9,768 3,770 10,772 3,773 28,774 4,777 3,782 2,785 1,786 3,793 48,794 5,795 1,796 6,797 1,802 2,808 0.167,809 3,811 1,826 1,828 1,829 4,830 1,832 1,833 3,834 2,841 1,844 1,857 1,859 1,860 1,862 1,864 8,868 37,875 1,876 8,879 1,880 7,881 1,882 5,893 3.5,894 1,896 2,901 20.917,902 17.433,903 7.514,904 5.743,907 0.425,908 1.044,909 0.881,910 5.694,911 10.049,912 3.829,913 4.394,914 4.852,915 5.263,916 5.642,917 5.956,918 6.256,919 6.582,920 6.853,921 7.098,922 1,923 89,924 14.08,926 6.621,927 0.026,929 7.538,931 28.234,933 27.291,936 2.038,937 75.417,941 553.242,942 131.994,943 19.91,945 92.973,947 32.22,948 99.774,949 646.215,950 19.91,951 70.173,952 21.766,953 42.683,954 61.25,955 16.786,957 585.461,959 553.242,960 119.684,961 92.973,962 32.22,964 459.073,965 144.459,966 42.683,968 100.328,969 19.356,971 32.22,972 553.242,973 112.883,974 131.994,977 553.242,978 61.821,979 73.297,981 109.759,982 553.242,983 112.883,984 131.994,986 0.636,987 0.404,988 0.212,989 0.116,990 44,991 21,992 0.033,993 3,994 5,995 1.455,996 4.135,997 436.265,998 0.455,999 22,1000 188.75,1001 1,1005 26.518,1006 7.944,1007 3.049,1009 112.883,1017 42.683,1018 798.119,1019 45,1024 26.79,1027 5.314,1028 1.83,1031 83.585,1032 96.094,1034 0.214,1035 0.437,1036 0.734,1037 0.853,1038 0.886,1039 0.886,1040 5.288,1041 2.179,1042 6.569,1043 8.158,1044 4.99,1045 5.081,1046 3.78,1047 7.711,1048 4.955,1049 6.572,1050 1.941,1051 8.363,1052 7.011,1053 5.263,1054 5.352,1055 3.126,1056 9.592,1057 5.239,1058 8.008,1059 1.707,1060 10.285,1061 5.92,1062 7.038,1063 7.177,1064 6.044,1065 12.859,1066 6.994,1067 9.48,1068 1.493,1069 12.285,1070 4.925,1071 8.065,1072 8.181,1073 5.778,1074 15.504,1075 8.036,1076 10.992,1077 1.332,1078 14.337,1079 4.157,1080 9.522,1081 9.667,1082 8.58,1083 18.506,1084 9.487,1085 12.531,1086 1.24,1087 16.424,1088 3.802,1089 10.805,1090 10.93,1091 8.57,1092 21.371,1093 10.78,1094 14.093,1095 0.839,1096 18.536,1097 2.975,1098 12.206,1099 12.346,1100 11.184,1101 24.331,1102 12.183,1103 4.273,1104 0.588,1105 20.667,1106 2.275,1107 13.574,1108 13.705,1109 11.394,1110 27.264,1111 13.557,1112 3.894,1113 20.02,1114 22.812,1115 1.415,1116 14.977,1117 15.115,1118 13.81,1119 30.225,1120 14.963,1121 3.486,1122 17.407,1123 24.967,1124 4.322,1125 16.377,1126 16.514,1127 14.201,1128 33.183,1129 16.367,1130 2.957,1131 14.502,1132 27.131,1133 3.898,1134 17.788,1135 17.932,1136 16.447,1137 36.151,1138 17.782,1139 2.688,1140 11.284,1141 29.301,1142 3.586,1143 19.203,1144 19.351,1145 16.985,1146 39.121,1147 19.2,1148 2.547,1149 9.469,1150 31.476,1151 3.136,1152 20.624,1153 20.779,1154 19.089,1155 42.096,1156 20.624,1157 2.374,1158 8.635,1159 33.655,1160 3.097,1161 22.047,1162 22.21,1163 19.749,1164 45.074,1165 22.051,1166 16838,1167 23051,1168 25.948,1169 53.535,1170 68.221,1171 73.769,1172 75.338,1173 67.449,1174 67.524,1175 70.942,1176 18.392,1177 245.233,1178 66.088,1179 6.286,1180 6.588,1181 8.311,1182 6.431,1183 6.273,1184 6.819,1185 7.376,1186 30.405,1187 6.279,1188 26.492,1189 1.624,1190 1.756,1191 1.794,1192 1.606,1193 1.608,1194 1.689,1195 0.438,1196 5.839,1197 1.574,1198 4.219,1199 4.247,1200 4.174,1201 4.159,1202 7.43,1203 4.152,1204 3.962,1205 3.999,1206 3.99,1207 3.885,1208 7.425,1209 3.872,1210 3.802,1211 3.845,1212 3.815,1213 3.716,1214 6.449,1215 3.69,1216 3.665,1217 3.721,1218 3.582,1219 3.49,1220 4.671,1221 3.492,1222 3.562,1223 3.619,1224 3.427,1225 3.429,1226 4.459,1227 3.422,1228 3.46,1229 3.525,1230 3.299,1231 3.322,1232 4.29,1233 3.307,1234 3.355,1235 3.414,1236 3.282,1237 3.199,1238 4.15,1239 3.183,1240 3.322,1241 3.397,1242 3.143,1243 3.151,1244 4.038,1245 3.137,1246 0.126,1247 0.109,1248 0.218,1249 0.126,1250 0.102,1251 5.286,1252 0.103,1253 4.588,1254 0.091,1255 9.146,1256 0.477,1257 5.274,1258 0.102,1259 4.273,1260 4.322,1261 3.828,1262 20.02,1263 4.279,1264 2.011,1265 1.98,1266 2.147,1267 2.106,1268 1.634,1269 2.125,1270 1.894,1271 1.86,1272 2.043,1273 2.011,1274 1.487,1275 2.027,1276 1.754,1277 1.706,1278 1.948,1279 1.933,1280 1.322,1281 1.94,1282 1.661,1283 1.606,1284 1.907,1285 1.818,1286 1.152,1287 1.854,1288 1.512,1289 1.456,1290 1.764,1291 1.736,1292 1.08,1293 1.743,1294 1.454,1295 1.39,1296 1.728,1297 1.638,1298 0.995,1299 1.675,1300 1.39,1301 1.328,1302 1.672,1303 1.563,1304 0.93,1305 1.61,1306 1.32,1307 1.266,1308 1.639,1309 1.542,1310 0.825,1311 1.575,1312 4.443,1313 1.946,1314 5.932,1315 4.394,1316 7.644,1317 6.735,1318 9.472,1319 8.98,1320 11.367,1322 17.23,1327 11.554,1328 8.049,1331 1.979,1332 1.159,1333 1.782,1334 -0.271,1340 48.491,1341 116.385,1342 237.958,1343 399.7,1344 464.494,1345 482.759,1346 482.759,1347 106.184,1348 9.624,1349 69.97,1350 95.27,1351 32,1352 14.019,1353 2,1354 2,1355 50.927,1356 149,1357 169,1358 0.178,1359 291.699,1360 529.66,1361 703.505,1362 200821,1364 26.922,1365 0.728,1366 0.678,1367 27.275,1368 25.081,1369 17.194,1370 0.409,1371 0.377,1372 14.841,1373 16.378,1374 13.996,1375 11.502,1376 17.648,1377 15.833,1378 18.185,1379 0.249,1380 0.22,1381 18.717,1382 16.056,1383 16.743,1384 0.147,1385 0.132,1386 17.589,1387 15.065,1388 14.594,1389 0.086,1390 0.075,1391 15.357,1392 12.706,1393 12.114,1394 0.05,1395 0.043,1396 12.914,1397 10.462,1398 0.27,1399 110.465,1400 0.196,1401 32.425,1402 0.522,1403 230,1404 435.771,1405 263.729,1406 443.035,1407 612.67,1408 414,1409 305,1410 441.884,1411 337.689,1412 465.776,1413 706.26,1414 437,1415 6.526}
{0 CHEMBL1783523,1 1.36,2 13.976,3 5.062,4 25.626,5 169.048,6 6.423,7 0.125,8 4.588,9 4.715,10 4.067,11 4.184,12 5.467,13 4.101,14 5.244,15 5.434,16 4.558,17 4.707,18 6.009,19 4.606,20 5.664,21 5.857,22 4.843,23 5.056,24 6.479,25 4.931,26 5.996,27 6.234,28 4.87,29 5.222,30 6.8,31 5.05,32 6.103,33 6.37,34 4.803,35 5.211,36 6.903,37 5.021,38 6.047,39 6.334,40 4.666,41 5.108,42 6.882,43 4.904,44 5.906,45 6.188,46 4.569,47 4.985,48 6.72,49 4.791,50 5.798,51 6.082,52 4.494,53 4.911,54 6.594,55 4.712,56 0.094,57 1.294,58 23.424,59 10.398,60 15.528,61 14.074,62 0.306,63 2.363,64 46.833,65 18.922,66 29.485,67 26.082,68 0.405,69 3.481,70 70.058,71 28.446,72 59.797,73 38.853,74 0.778,75 4.545,76 102.691,77 38.279,78 103.929,79 51.916,80 0.979,81 4.704,82 109.688,83 40.271,84 137.405,85 55.303,86 1.127,87 4.345,88 103.871,89 38.167,90 173.782,91 52.665,92 0.845,93 3.769,94 88.472,95 32.909,96 132.309,97 45.642,98 0.717,99 3.465,100 79.514,101 30.197,102 119.113,103 41.928,104 102,105 81,106 0.203,107 0.472,108 0.716,109 0.834,110 0.868,111 0.868,112 3.766,113 1.093,114 -6.21,115 -6.06,116 -5.63,121 39.1,122 6,123 7,124 4,125 5,126 1,127 1,129 3,144 5,145 1,158 1,160 2,176 27,179 1,180 10,185 2,187 42,192 14,197 2,200 44,206 18,209 1,211 5,214 37,219 13,224 2,227 37,231 1,232 9,235 2,237 4,239 33,243 1,244 8,249 4,251 33,255 1,256 8,261 4,264 29,269 10,274 2,277 23,281 3216,282 27.352,283 27.352,284 27.352,285 27.352,286 27.352,287 26.21,288 26.424,289 14.664,290 27.663,291 23.473,292 23.473,293 23.473,294 23.473,295 23.473,296 21.626,297 33.369,298 6.727,299 23.968,300 5.164,301 3.361,302 1.725,303 0.938,304 0.71,305 0.71,306 4.469,313 1310,314 5.568,315 29.644,317 62.78,318 394.151,319 70.39,321 102.428,322 343.426,323 232.402,325 2.358,326 48.655,329 0.5,330 0.5,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.8,337 88,338 587,339 5.286,340 4.588,341 9.146,342 5.274,343 4.273,344 4.322,345 3.828,346 20.02,347 4.279,348 4.896,349 4.45,350 8.655,351 4.892,352 3.895,353 3.901,354 2.178,355 17.407,356 3.884,357 4.515,358 3.917,359 7.865,360 4.474,361 3.486,362 3.718,363 1.2,364 14.502,365 3.445,366 4.258,367 3.699,368 7.062,369 4.025,370 3.05,371 3.584,372 0.694,373 11.327,374 2.974,375 3.929,376 3.577,377 6.673,378 3.718,379 2.725,380 3.115,381 0.293,382 9.835,383 2.712,384 3.818,385 3.236,386 6.443,387 3.615,388 2.675,389 2.932,391 9.182,392 2.507,393 3.555,394 2.951,395 5.991,396 3.396,397 2.38,398 2.66,400 8.163,401 2.406,402 3.469,403 2.87,404 5.932,405 3.31,406 2.323,407 2.607,409 7.856,410 2.285,411 3.207,412 2.424,413 5.475,414 3.053,415 2.094,416 2.253,418 6.28,419 2.001,420 2.965,421 2.345,422 5.386,423 2.918,424 1.938,425 2.005,427 5.907,428 1.898,429 2.933,430 2.148,431 5.118,432 2.672,433 1.672,434 1.952,436 4.775,437 1.663,438 2.629,439 2.054,440 4.772,441 2.491,442 1.509,443 1.615,445 4.138,446 1.479,447 2.535,448 1.84,449 4.424,450 2.384,451 1.378,452 1.513,454 3.677,455 1.38,456 2.5,457 1.729,458 4.221,459 2.15,460 1.254,461 1.5,463 2.976,464 1.099,465 2.43,466 1.432,467 4,468 2.063,469 1.062,470 1.36,472 2.663,473 1.054,474 20.633,475 0.491,476 1.75,477 0.042,478 36.5,479 0.869,480 10.5,481 0.25,482 26,483 0.619,484 77.084,485 1.835,486 47.767,487 0.519,488 24.706,489 0.588,490 4.513,491 0.107,492 15.253,493 0.363,494 0.218,495 0.121,496 0.286,501 0.69,502 1.217,503 0.897,504 1.078,505 0.672,506 1.074,507 0.644,508 1.021,509 0.883,510 0.966,511 0.551,512 0.919,513 0.914,514 1.206,515 1.008,516 1.124,517 0.839,518 1.133,519 1.067,520 1.181,521 1.253,522 1.228,523 0.998,524 1.164,525 1.36,526 1.01,527 1.045,528 0.998,529 1.355,530 1.034,531 1.044,532 0.924,533 0.967,534 0.947,535 1.1,536 0.952,537 1.186,538 0.92,539 0.883,540 0.895,541 1.33,542 0.944,543 0.915,544 0.932,545 0.889,546 0.914,547 0.895,548 0.946,549 13,550 0.429,551 10.667,552 7.687,553 5.451,554 3.261,555 1.999,556 1.381,557 1.001,558 0.707,559 27274,560 51780,561 2.068,562 54.3,563 25,564 13,567 1,568 3,569 7,570 1,572 1.814,573 1.846,574 3.704,575 -0.479,582 125.103,583 1.36,584 3.163,585 4.798,586 5.585,587 5.814,588 5.814,589 3.276,590 4.964,591 5.354,592 3.866,593 3328.74,594 9.488,595 53913.3,600 600.168,601 1.905,602 5.261,603 0.271,604 0.01,605 0.137,606 0.078,607 0.057,608 0.038,609 0.027,610 0.02,611 0.016,612 0.013,613 0.667,614 0.17,615 0.63,616 0.75,617 234.129,618 -0.005,619 0.011,620 0.08,621 0.075,622 -0.05,623 0.071,624 0.075,625 0.133,626 0.135,627 0.137,628 0.035,629 0.165,630 -0.033,631 -0.085,632 -0.024,633 -0.057,634 -0.012,635 -0.068,636 -0.049,637 -0.119,638 -0.16,639 -0.163,640 -0.014,641 -0.146,642 -0.107,643 -0.041,644 -0.071,645 -0.041,646 -0.087,647 -0.065,648 0.076,649 0.014,651 0.003,652 0.074,653 0.01,654 -0.025,655 0.01,656 0.027,657 0.029,658 -0.043,659 0.018,660 0.038,661 0.018,662 0.039,663 0.034,664 0.059,665 0.029,666 1.858,667 7.743,668 0.667,669 52.939,670 0.983,671 1.125,672 4.985,673 24.847,674 0.645,675 3.892,676 4.407,677 4.844,678 5.226,679 5.576,680 5.852,681 6.153,682 6.446,683 6.693,684 6.913,685 7.707,686 0.587,687 590.95,688 3.892,689 5.557,690 6.521,691 7.52,692 8.515,693 9.529,694 10.542,695 11.566,696 12.59,697 13.621,698 2.2,705 1,707 1,715 5,720 1,722 6,730 1,741 92,743 9,744 1,745 48,747 98,748 36,749 6,750 1,751 5,752 1,756 7,757 26,763 6,764 5,766 5,767 9,768 3,770 10,772 9,773 27,774 4,777 3,782 2,785 1,786 3,793 50,794 5,795 1,796 6,797 1,802 2,808 0.286,809 3,811 1,826 1,828 1,829 5,830 1,832 1,833 3,834 2,841 1,857 1,859 2,860 1,862 1,864 7,868 42,875 1,876 8,879 1,880 7,881 1,882 5,893 3.3,894 1,896 2,901 22.75,902 18.35,903 8.625,904 6.167,907 1.068,908 1.106,909 0.905,910 6.456,911 11.117,912 4.007,913 4.58,914 5.086,915 5.52,916 5.921,917 6.131,918 6.437,919 6.714,920 6.986,921 7.245,922 0.9,923 98,924 15.958,926 7.493,927 0.026,929 7.526,931 31.837,933 30.439,936 2.026,937 85.083,941 576.784,942 173.735,943 19.91,945 92.973,947 32.22,948 141.516,949 669.757,950 19.91,951 61.348,952 21.766,953 90.065,954 61.25,955 19.971,957 609.004,959 576.784,960 161.426,961 92.973,962 32.22,964 482.615,965 144.459,966 42.683,968 91.502,969 69.923,971 32.22,972 576.784,973 112.883,974 173.735,977 576.784,978 65.007,979 111.853,981 109.759,982 576.784,983 112.883,984 173.735,986 0.626,987 0.4,988 0.215,989 0.116,990 48,991 22,992 0.041,993 4,994 5,995 1.357,996 4.609,997 513.188,998 0.357,999 28,1000 220.477,1001 1,1005 29.243,1006 9.273,1007 3.59,1009 112.883,1010 9.426,1015 0.666,1017 42.683,1018 863.402,1019 54,1024 28.212,1027 5.336,1028 1.768,1031 90.468,1032 103.51,1034 0.208,1035 0.485,1036 0.736,1037 0.856,1038 0.891,1039 0.891,1040 5.427,1041 2.323,1042 6.653,1043 8.163,1044 5.094,1045 5.268,1046 3.689,1047 7.771,1048 5.062,1049 6.697,1050 2.094,1051 8.428,1052 7.856,1053 5.293,1054 5.414,1055 2.938,1056 9.613,1057 5.27,1058 8.115,1059 1.938,1060 10.334,1061 6.28,1062 7.102,1063 7.377,1064 6.008,1065 12.88,1066 7.063,1067 9.572,1068 1.672,1069 12.322,1070 5.907,1071 8.093,1072 8.273,1073 5.711,1074 15.513,1075 8.065,1076 11.071,1077 1.509,1078 14.366,1079 4.775,1080 9.557,1081 9.853,1082 8.569,1083 18.512,1084 9.524,1085 12.6,1086 1.378,1087 16.446,1088 4.138,1089 10.825,1090 11.038,1091 8.553,1092 21.374,1093 10.801,1094 14.152,1095 1.254,1096 18.553,1097 3.677,1098 12.226,1099 12.507,1100 11.181,1101 24.333,1102 12.203,1103 4.273,1104 1.062,1105 20.68,1106 2.976,1107 13.587,1108 13.813,1109 11.39,1110 27.265,1111 13.57,1112 3.895,1113 20.02,1114 22.822,1115 2.663,1116 14.988,1117 15.249,1118 13.809,1119 30.225,1120 14.973,1121 3.486,1122 17.407,1123 24.975,1124 4.322,1125 16.384,1126 16.614,1127 14.2,1128 33.183,1129 16.374,1130 3.05,1131 14.502,1132 27.136,1133 3.901,1134 17.794,1135 18.042,1136 16.446,1137 36.151,1138 17.788,1139 2.725,1140 11.327,1141 29.305,1142 3.718,1143 19.208,1144 19.438,1145 16.984,1146 39.121,1147 19.204,1148 2.675,1149 9.835,1150 31.479,1151 3.584,1152 20.627,1153 20.867,1154 19.089,1155 42.096,1156 20.627,1157 2.38,1158 9.182,1159 33.658,1160 3.115,1161 22.05,1162 22.282,1163 19.749,1164 45.074,1165 22.053,1166 25286,1167 34880,1168 30.512,1169 59.296,1170 77.689,1171 83.132,1172 83.704,1173 76.383,1174 76.4,1175 83.935,1176 16.386,1177 269.648,1178 74.953,1179 6.286,1180 6.588,1181 8.948,1182 6.431,1183 6.273,1184 7.322,1185 7.376,1186 30.405,1187 6.279,1188 27.194,1189 1.619,1190 1.732,1191 1.744,1192 1.591,1193 1.592,1194 1.749,1195 0.341,1196 5.618,1197 1.562,1198 4.221,1199 4.249,1200 4.176,1201 4.16,1202 7.429,1203 4.153,1204 3.971,1205 4.007,1206 3.991,1207 3.891,1208 7.424,1209 3.883,1210 3.913,1211 3.942,1212 3.879,1213 3.846,1214 6.449,1215 3.839,1216 3.781,1217 3.822,1218 3.784,1219 3.708,1220 4.734,1221 3.68,1222 3.604,1223 3.668,1224 3.494,1225 3.469,1226 4.665,1227 3.456,1228 3.542,1229 3.602,1230 3.41,1231 3.396,1232 4.456,1233 3.39,1234 3.451,1235 3.519,1236 3.291,1237 3.305,1238 4.284,1239 3.293,1240 3.349,1241 3.408,1242 3.276,1243 3.196,1244 4.139,1245 3.178,1246 0.11,1247 0.096,1248 0.191,1249 0.11,1250 0.089,1251 5.286,1252 0.09,1253 4.588,1254 0.08,1255 9.146,1256 0.417,1257 5.274,1258 0.089,1259 4.273,1260 4.322,1261 3.828,1262 20.02,1263 4.279,1264 2.011,1265 1.981,1266 2.147,1267 2.106,1268 1.634,1269 2.125,1270 1.916,1271 1.888,1272 2.048,1273 2.029,1274 1.487,1275 2.037,1276 1.884,1277 1.853,1278 2.019,1279 1.984,1280 1.323,1281 2,1282 1.733,1283 1.686,1284 1.931,1285 1.887,1286 1.152,1287 1.905,1288 1.66,1289 1.604,1290 1.905,1291 1.816,1292 1.085,1293 1.852,1294 1.467,1295 1.4,1296 1.746,1297 1.673,1298 1.073,1299 1.693,1300 1.434,1301 1.377,1302 1.699,1303 1.636,1304 0.995,1305 1.665,1306 1.388,1307 1.323,1308 1.672,1309 1.561,1310 0.909,1311 1.609,1312 4.575,1313 1.946,1314 6.043,1315 4.394,1316 7.738,1317 6.735,1318 9.548,1319 8.98,1320 11.427,1322 15.679,1327 11.825,1328 7.917,1331 1.978,1332 0.897,1333 1.819,1334 -0.438,1340 54.017,1341 125.103,1342 290.959,1343 441.46,1344 513.864,1345 534.883,1346 534.883,1347 115.738,1348 10.048,1349 69.97,1350 95.27,1351 38,1352 14.064,1353 3.322,1354 2.807,1355 56.206,1356 194,1357 219,1358 0.147,1359 323.485,1360 584.98,1361 781.063,1362 354631,1364 30.035,1365 0.715,1366 0.654,1367 30.388,1368 27.468,1369 19.766,1370 0.412,1371 0.364,1372 16.502,1373 18.968,1374 15.671,1375 12.88,1376 20.22,1377 17.494,1378 20.198,1379 0.249,1380 0.212,1381 20.73,1382 17.208,1383 18.914,1384 0.15,1385 0.126,1386 19.76,1387 15.909,1388 16.554,1389 0.089,1390 0.072,1391 17.318,1392 13.388,1393 13.765,1394 0.052,1395 0.042,1396 14.566,1397 10.988,1398 0.227,1399 125.899,1400 0.181,1401 36.39,1402 0.42,1403 258,1404 495.771,1405 291.729,1406 506.211,1407 705.18,1408 474,1409 339,1410 513.884,1411 372.687,1412 541.352,1413 819.7,1414 509,1415 7.367}
{0 CHEMBL1783524,1 1.373,2 13.366,3 4.972,4 24.725,5 164.303,6 6.179,8 4.613,9 4.743,10 4.05,11 4.16,12 5.468,13 4.076,14 5.285,15 5.486,16 4.567,17 4.686,18 6.064,19 4.586,20 5.696,21 5.887,22 4.825,23 5.05,24 6.5,25 4.923,26 6.042,27 6.293,28 4.871,29 5.219,30 6.829,31 5.043,32 6.115,33 6.381,34 4.794,35 5.19,36 6.936,37 5.007,38 6.047,39 6.328,40 4.67,41 5.094,42 6.896,43 4.891,44 5.965,45 6.257,46 4.533,47 4.97,48 6.745,49 4.767,50 5.837,51 6.132,52 4.504,53 4.892,54 6.614,55 4.694,56 0.099,57 1.34,58 25.104,59 10.788,60 16.36,61 14.683,62 0.499,63 2.398,64 50.035,65 19.333,66 43.311,67 26.886,68 0.525,69 3.525,70 74.272,71 28.973,72 63.531,73 39.819,74 0.847,75 4.526,76 106.983,77 38.384,78 108.306,79 53.138,80 1.194,81 4.512,82 111.122,83 37.933,84 151.361,85 53.278,86 1.252,87 4.134,88 102.853,89 36.373,90 178.197,91 51.002,92 1.018,93 3.683,94 92.836,95 32.272,96 138.167,97 45.688,98 0.914,99 3.354,100 81.826,101 29.33,102 129.585,103 41.446,104 178,105 80,106 0.205,107 0.412,108 0.67,109 0.811,110 0.84,111 0.84,112 3.742,113 1.124,114 -5.48,115 -5.36,116 -5,121 35.8,122 9,123 7,124 4,125 5,126 1,127 1,129 3,132 1,158 1,160 1,161 1,176 21,179 3,180 11,185 2,187 39,192 10,197 2,200 41,206 22,209 1,211 5,214 35,219 12,224 2,227 32,231 1,232 13,235 3,237 3,239 29,243 1,244 10,249 2,251 22,255 2,256 9,261 5,264 26,269 11,274 1,277 14,281 3021,282 25.678,283 25.678,284 25.678,285 25.678,286 25.678,287 25.224,288 29.91,289 13.405,290 26.134,291 22.493,292 22.493,293 22.493,294 22.493,295 22.493,296 21.613,297 39.774,298 6.143,299 23.234,300 5.197,301 3.814,302 2.089,303 1.146,304 0.953,305 0.953,306 4.431,313 1188,314 6.124,315 28.912,317 62.478,318 272.107,319 68.693,321 101.293,322 335.479,323 227.064,325 2.344,326 51.703,329 0.5,330 0.67,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.82,337 87,338 548,339 5.286,340 4.588,341 9.146,342 5.274,343 4.273,344 4.322,345 3.828,346 20.02,347 4.279,348 4.896,349 4.45,350 8.655,351 4.892,352 3.895,353 3.899,354 2.208,355 17.407,356 3.884,357 4.515,358 3.93,359 7.865,360 4.473,361 3.486,362 3.586,363 2.178,364 14.502,365 3.445,366 4.211,367 3.834,368 7.059,369 4.099,370 3.163,371 3.297,372 0.694,373 11.303,374 2.95,375 3.951,376 3.579,377 6.662,378 3.885,379 2.918,380 3.114,381 0.655,382 10.248,383 2.824,384 3.912,385 3.25,386 6.488,387 3.62,388 2.687,389 2.955,390 0.13,391 9.453,392 2.507,393 3.615,394 3.235,395 6.231,396 3.508,397 2.531,398 2.673,400 8.669,401 2.461,402 3.545,403 2.948,404 5.933,405 3.39,406 2.374,407 2.623,409 8.158,410 2.396,411 3.221,412 2.85,413 5.761,414 3.148,415 2.178,416 2.228,418 7.129,419 2.099,420 2.959,421 2.406,422 5.474,423 2.921,424 1.941,425 1.959,427 5.922,428 1.902,429 2.861,430 2.314,431 5.127,432 2.694,433 1.715,434 1.848,436 5.037,437 1.665,438 2.537,439 2.054,440 4.775,441 2.472,442 1.496,443 1.521,445 4.21,446 1.455,447 2.526,448 1.841,449 4.722,450 2.339,451 1.337,452 1.475,454 4.009,455 1.331,456 2.391,457 1.73,458 4.222,459 2.146,460 1.242,461 1.341,463 2.976,464 1.093,465 1.929,466 1.432,467 4,468 1.773,469 0.839,470 0.88,472 2.275,473 0.769,474 19.967,475 0.487,476 2.052,477 0.05,478 30,479 0.732,480 4.5,481 0.11,482 25.5,483 0.622,484 83.305,485 2.032,486 49.033,487 0.516,488 18.456,489 0.45,490 2.945,491 0.072,492 15.933,493 0.389,494 0.301,495 0.15,496 0.27,501 0.729,502 1.354,503 0.938,504 1.198,505 0.714,506 1.175,507 0.596,508 1.011,509 0.842,510 0.963,511 0.49,512 0.903,513 1.094,514 1.253,515 1.094,516 1.174,517 0.893,518 1.205,519 0.94,520 1.178,521 1.185,522 1.208,523 0.919,524 1.134,525 1.45,526 0.988,527 1.094,528 0.978,529 1.59,530 1.034,531 0.926,532 1.015,533 0.994,534 1.031,535 1.063,536 1.028,537 1.189,538 0.905,539 0.883,540 0.875,541 1.301,542 0.93,543 0.832,544 0.879,545 0.822,546 0.855,547 0.801,548 0.878,549 15.5,550 0.455,551 10.667,552 7.875,553 5.499,554 3.303,555 1.851,556 1.518,557 1.048,558 0.689,559 23842,560 44569,561 1.981,562 56.8,563 25,564 8,567 1,568 3,569 16,570 1,572 1.809,573 1.732,574 3.634,575 -0.449,582 130.399,583 1.373,584 2.755,585 4.481,586 5.424,587 5.617,588 5.617,589 3.243,590 5.095,591 5.318,592 3.828,593 3139.28,594 9.42,595 49955.3,600 624.136,601 1.95,602 5.194,603 0.337,604 0.011,605 0.139,606 0.084,607 0.059,608 0.04,609 0.025,610 0.024,611 0.016,612 0.014,613 0.749,614 0.17,615 0.63,616 1.391,617 226.695,618 0.001,619 -0.027,620 0.082,621 0.047,622 -0.071,623 0.053,624 0.206,625 0.186,626 0.201,627 0.184,628 0.119,629 0.221,630 -0.1,631 -0.069,632 -0.075,633 -0.049,634 -0.068,635 -0.089,636 -0.025,637 -0.1,638 -0.099,639 -0.122,640 0.01,641 -0.094,642 -0.157,643 0.007,644 -0.1,645 -0.015,646 -0.134,647 -0.061,648 0.105,649 -0.052,650 -0.026,651 -0.061,652 0.095,653 -0.049,654 -0.046,655 0.012,656 0.023,657 0.034,658 -0.06,659 0.02,660 0.092,661 0.064,662 0.099,663 0.085,664 0.118,665 0.091,666 2.034,667 7.684,668 0.537,669 50.995,670 0.985,671 1.132,672 4.249,673 18.058,674 0.624,675 3.85,676 4.394,677 4.787,678 5.182,679 5.529,680 5.823,681 6.12,682 6.426,683 6.667,684 6.884,685 7.547,686 0.566,687 586.97,688 3.85,689 5.533,690 6.488,691 7.499,692 8.489,693 9.511,694 10.521,695 11.551,696 12.573,697 13.609,698 2.1,705 1,707 1,741 95,743 3,745 46,747 100,748 34,756 6,757 25,763 9,764 5,766 5,767 9,768 3,770 10,772 3,773 31,774 5,777 3,782 2,785 1,786 3,793 54,794 6,795 1,796 7,797 1,802 2,808 0.167,809 4,811 1,826 1,828 1,829 4,830 1,832 1,833 3,834 2,841 1,856 1,857 1,859 1,860 1,862 1,864 10,868 41,875 1,876 8,878 1,879 1,880 7,881 1,882 6,893 4.2,894 1,896 2,898 1,901 23.667,902 19.85,903 8.222,904 6.326,907 0.409,908 1.042,909 0.871,910 6.759,911 10.225,912 3.912,913 4.477,914 4.898,915 5.318,916 5.67,917 5.976,918 6.277,919 6.609,920 6.878,921 7.13,922 1,923 94,924 15.608,926 7.279,927 0.026,929 7.553,931 31.077,933 29.533,936 2.053,937 84.167,941 623.868,942 151.702,943 19.91,945 103.973,947 32.22,948 119.483,949 727.841,950 19.91,951 87.823,952 21.766,953 42.683,954 56.545,955 27.785,956 6.763,957 656.088,959 623.868,960 139.392,961 103.973,962 32.22,964 423.76,965 261.398,966 42.683,968 117.978,969 21.414,971 32.22,972 623.868,973 123.883,974 151.702,977 623.868,978 63.879,979 90.948,981 120.759,982 623.868,983 123.883,984 151.702,986 0.637,987 0.384,988 0.205,989 0.111,990 47,991 23,992 0.05,993 5,994 5,995 1.455,996 4.41,997 491.126,998 0.455,999 22,1000 210.905,1001 1,1005 30.293,1006 9.148,1007 3.897,1009 123.883,1017 42.683,1018 899.453,1019 49,1024 27.746,1027 5.326,1028 1.402,1031 93.563,1032 107.549,1034 0.209,1035 0.419,1036 0.682,1037 0.826,1038 0.855,1039 0.855,1040 5.375,1041 2.374,1042 6.653,1043 8.669,1044 5.081,1045 5.165,1046 3.835,1047 7.781,1048 5.031,1049 6.666,1050 2.178,1051 8.438,1052 8.158,1053 5.38,1054 5.46,1055 3.171,1056 9.649,1057 5.335,1058 8.1,1059 1.941,1060 10.35,1061 7.129,1062 7.127,1063 7.258,1064 6.078,1065 12.893,1066 7.059,1067 9.567,1068 1.715,1069 12.34,1070 5.922,1071 8.149,1072 8.259,1073 5.826,1074 15.524,1075 8.095,1076 11.073,1077 1.496,1078 14.382,1079 5.037,1080 9.591,1081 9.731,1082 8.594,1083 18.517,1084 9.531,1085 12.604,1086 1.337,1087 16.46,1088 4.21,1089 10.862,1090 10.986,1091 8.593,1092 21.378,1093 10.814,1094 14.156,1095 1.242,1096 18.565,1097 4.009,1098 12.253,1099 12.392,1100 11.19,1101 24.335,1102 12.208,1103 4.273,1104 0.839,1105 20.689,1106 2.976,1107 13.611,1108 13.743,1109 11.402,1110 27.266,1111 13.576,1112 3.895,1113 20.02,1114 22.828,1115 2.275,1116 15.006,1117 15.146,1118 13.812,1119 30.226,1120 14.976,1121 3.486,1122 17.407,1123 24.98,1124 4.322,1125 16.399,1126 16.539,1127 14.204,1128 33.183,1129 16.377,1130 3.163,1131 14.502,1132 27.14,1133 3.899,1134 17.806,1135 17.952,1136 16.447,1137 36.151,1138 17.789,1139 2.918,1140 11.303,1141 29.308,1142 3.586,1143 19.217,1144 19.367,1145 16.986,1146 39.121,1147 19.205,1148 2.687,1149 10.248,1150 31.481,1151 3.297,1152 20.634,1153 20.792,1154 19.09,1155 42.096,1156 20.627,1157 2.531,1158 9.453,1159 33.659,1160 3.114,1161 22.055,1162 22.22,1163 19.749,1164 45.074,1165 22.053,1166 22901,1167 31305,1168 28.027,1169 59.273,1170 74.518,1171 80.893,1172 81.712,1173 73.785,1174 73.861,1175 77.232,1176 19.386,1177 267.263,1178 71.733,1179 6.286,1180 6.588,1181 8.311,1182 6.431,1183 6.273,1184 6.819,1185 7.376,1186 30.405,1187 6.279,1188 31.072,1189 1.62,1190 1.759,1191 1.776,1192 1.604,1193 1.606,1194 1.679,1195 0.421,1196 5.81,1197 1.559,1198 4.22,1199 4.248,1200 4.175,1201 4.159,1202 7.434,1203 4.152,1204 3.962,1205 3.999,1206 3.99,1207 3.885,1208 7.425,1209 3.872,1210 3.812,1211 3.853,1212 3.818,1213 3.717,1214 6.449,1215 3.692,1216 3.732,1217 3.774,1218 3.653,1219 3.566,1220 4.674,1221 3.569,1222 3.6,1223 3.667,1224 3.467,1225 3.467,1226 4.568,1227 3.453,1228 3.541,1229 3.603,1230 3.402,1231 3.393,1232 4.451,1233 3.385,1234 3.452,1235 3.519,1236 3.29,1237 3.304,1238 4.278,1239 3.291,1240 3.349,1241 3.408,1242 3.275,1243 3.196,1244 4.136,1245 3.178,1246 0.115,1247 0.1,1248 0.199,1249 0.115,1250 0.093,1251 5.286,1252 0.094,1253 4.588,1254 0.083,1255 9.146,1256 0.435,1257 5.274,1258 0.093,1259 4.273,1260 4.322,1261 3.828,1262 20.02,1263 4.279,1264 2.011,1265 1.98,1266 2.147,1267 2.106,1268 1.634,1269 2.125,1270 1.894,1271 1.86,1272 2.043,1273 2.011,1274 1.486,1275 2.026,1276 1.753,1277 1.707,1278 1.955,1279 1.943,1280 1.321,1281 1.946,1282 1.687,1283 1.636,1284 1.931,1285 1.868,1286 1.152,1287 1.892,1288 1.659,1289 1.603,1290 1.905,1291 1.816,1292 1.118,1293 1.852,1294 1.467,1295 1.399,1296 1.746,1297 1.68,1298 1.08,1299 1.696,1300 1.434,1301 1.376,1302 1.7,1303 1.636,1304 0.995,1305 1.667,1306 1.388,1307 1.323,1308 1.672,1309 1.561,1310 0.915,1311 1.609,1312 4.533,1313 1.946,1314 6.023,1315 4.394,1316 7.723,1317 6.735,1318 9.533,1319 8.98,1320 11.414,1322 21.115,1327 11.746,1328 7.834,1330 5.697,1331 1.972,1332 0.748,1333 1.662,1334 -1.081,1340 53.786,1341 130.399,1342 261.763,1343 425.715,1344 515.303,1345 533.568,1346 533.568,1347 127.446,1348 9.816,1349 79.2,1350 104.5,1351 32,1352 14.05,1353 2,1354 2,1355 59.396,1356 185,1357 204,1358 0.165,1359 324.472,1360 590.35,1361 783.472,1362 258345,1364 30.129,1365 0.735,1366 0.683,1367 30.483,1368 27.989,1369 18.878,1370 0.41,1371 0.375,1372 16.222,1373 17.948,1374 15.233,1375 12.594,1376 19.332,1377 17.241,1378 20.683,1379 0.259,1380 0.225,1381 21.215,1382 18.017,1383 17.523,1384 0.147,1385 0.128,1386 18.369,1387 15.25,1388 15.656,1389 0.088,1390 0.073,1391 16.42,1392 12.919,1393 12.744,1394 0.051,1395 0.043,1396 13.544,1397 10.672,1398 0.253,1399 121.333,1400 0.189,1401 35.567,1402 0.473,1403 252,1404 501.507,1405 290.932,1406 502.137,1407 692.29,1408 468,1409 328,1410 505.157,1411 364.843,1412 529.041,1413 797.74,1414 493,1415 6.799}
{0 CHEMBL1783525,1 1.308,2 13.927,3 5.722,4 32.739,5 169.217,6 6.204,7 0.128,8 4.594,9 4.725,10 4.047,11 4.188,12 5.427,13 4.098,14 5.255,15 5.453,16 4.531,17 4.713,18 5.962,19 4.603,20 5.671,21 5.871,22 4.806,23 5.064,24 6.417,25 4.925,26 6.009,27 6.26,28 4.829,29 5.232,30 6.721,31 5.043,32 6.113,33 6.391,34 4.769,35 5.22,36 6.846,37 5.016,38 6.056,39 6.35,40 4.604,41 5.118,42 6.804,43 4.896,44 5.922,45 6.219,46 4.524,47 4.998,48 6.636,49 4.783,50 5.81,51 6.104,52 4.445,53 4.92,54 6.493,55 4.706,56 0.108,57 1.311,58 24.338,59 10.6,60 14.449,61 14.564,62 0.273,63 2.399,64 47.978,65 19.179,66 22.781,67 26.781,68 0.415,69 3.526,70 71.406,71 28.988,72 44.435,73 40.052,74 0.704,75 4.614,76 102.897,77 39.168,78 74.883,79 53.719,80 0.871,81 4.755,82 109.061,83 40.927,84 105.314,85 56.614,86 0.96,87 4.383,88 102.631,89 38.612,90 130.117,91 53.423,92 0.716,93 3.835,94 87.737,95 33.75,96 97.682,97 47.186,98 0.551,99 3.504,100 78.859,101 30.672,102 73.765,103 42.744,104 83,105 79,106 0.195,107 0.461,108 0.718,109 0.834,110 0.868,111 0.868,112 3.742,113 1.116,114 -6.41,115 -6.24,116 -5.79,121 38.7,122 6,123 7,124 4,125 5,126 1,127 2,129 3,144 5,145 1,158 1,160 1,176 27,180 9,185 2,187 42,192 12,197 2,200 44,206 14,209 1,211 5,214 37,219 11,224 2,227 37,231 1,232 5,235 1,237 4,239 33,243 1,244 6,249 4,251 33,256 6,261 4,264 29,269 7,274 2,277 23,281 3067,282 26.8,283 26.8,284 26.8,285 26.8,286 26.8,287 25.725,288 28.515,289 14.478,290 27.129,291 23.031,292 23.031,293 23.031,294 23.031,295 23.031,296 21.376,297 38.4,298 6.687,299 23.582,300 5.232,301 3.452,302 1.728,303 0.95,304 0.723,305 0.723,306 4.448,313 1279,314 5.385,315 28.545,317 60.87,318 380.016,319 67.833,321 99.319,322 330.994,323 224.306,325 2.368,326 39.338,329 0.5,330 0.5,331 0.67,332 0.8,333 1,334 0.67,335 1,336 0.73,337 85,338 571,339 5.286,340 4.588,341 9.146,342 5.274,343 4.273,344 4.322,345 3.828,346 20.02,347 4.279,348 4.895,349 4.45,350 8.655,351 4.891,352 3.894,353 3.898,354 2.178,355 17.406,356 3.884,357 4.514,358 3.91,359 7.865,360 4.473,361 3.486,362 3.586,363 0.916,364 14.502,365 3.445,366 3.988,367 3.58,368 7.051,369 3.883,370 2.914,371 3.458,372 0.694,373 11.244,374 2.829,375 3.924,376 3.237,377 6.643,378 3.62,379 2.687,380 3.114,381 0.172,382 9.401,383 2.544,384 3.81,385 3.128,386 6.153,387 3.56,388 2.573,389 2.876,391 8.386,392 2.506,393 3.553,394 2.94,395 5.933,396 3.395,397 2.379,398 2.648,400 8.155,401 2.406,402 3.4,403 2.733,404 5.589,405 3.309,406 2.322,407 2.426,409 7.207,410 2.285,411 3.118,412 2.432,413 5.474,414 3.027,415 2.078,416 2.154,418 6.136,419 1.963,420 2.956,421 2.355,422 5.226,423 2.915,424 1.936,425 1.988,427 5.895,428 1.892,429 2.871,430 2.056,431 5.11,432 2.561,433 1.572,434 1.951,436 4.683,437 1.553,438 2.599,439 1.858,440 4.772,441 2.457,442 1.47,443 1.576,445 4.124,446 1.448,447 2.535,448 1.742,449 4.223,450 2.379,451 1.374,452 1.511,454 3.192,455 1.376,456 2.5,457 1.571,458 4.095,459 2.149,460 1.253,461 1.5,463 2.976,464 1.095,465 2.394,466 1.429,467 4,468 2,469 1,470 1.345,472 2.48,473 1,474 20.3,475 0.495,476 1.678,477 0.041,478 34.25,479 0.835,480 9,481 0.22,482 25.25,483 0.616,484 76.751,485 1.872,486 46.9,487 0.504,488 20.448,489 0.499,490 4.028,491 0.098,492 15.311,493 0.373,494 0.205,495 0.123,496 0.266,501 0.774,502 1.229,503 0.936,504 1.091,505 0.784,506 1.097,507 0.807,508 1.021,509 0.925,510 0.966,511 0.621,512 0.93,513 1.02,514 1.221,515 1.055,516 1.14,517 0.98,518 1.164,519 1.007,520 1.176,521 1.236,522 1.22,523 0.917,524 1.157,525 1.447,526 1.008,527 1.029,528 0.993,529 1.509,530 1.024,531 1.236,532 0.931,533 0.999,534 0.953,535 1.373,536 0.967,537 1.068,538 0.913,539 0.84,540 0.887,541 1.256,542 0.926,543 1.006,544 0.929,545 0.89,546 0.909,547 1.023,548 0.941,549 13,550 0.4,551 10,552 7.312,553 5.411,554 3.001,555 1.903,556 1.303,557 0.938,558 0.653,559 25945,560 44712,561 2.084,562 55.9,563 25,564 15,567 1,568 3,569 7,570 1,572 1.808,573 1.871,574 3.689,575 -0.497,582 121.602,583 1.308,584 3.087,585 4.811,586 5.59,587 5.816,588 5.816,589 3.269,590 5.114,591 5.317,592 3.858,593 3163.7,594 9.416,595 50534.6,600 608.142,601 1.889,602 5.232,603 0.277,604 0.009,605 0.132,606 0.078,607 0.059,608 0.037,609 0.027,610 0.02,611 0.015,612 0.013,613 0.667,614 0.17,615 0.63,616 0.742,617 227.155,618 0.006,619 0.011,620 0.087,621 0.076,622 -0.07,623 0.072,624 0.018,625 0.142,626 0.126,627 0.141,628 0.013,629 0.164,630 -0.047,631 -0.091,632 -0.045,633 -0.065,634 -0.055,635 -0.085,636 -0.015,637 -0.115,638 -0.139,639 -0.155,640 0.004,641 -0.133,642 -0.092,643 -0.039,644 -0.055,645 -0.037,646 -0.077,647 -0.055,648 0.022,649 0.009,650 -0.031,651 -0.005,652 0.027,653 -0.01,654 0.029,655 0.014,656 0.055,657 0.035,658 0.001,659 0.033,660 -0.021,661 0.021,662 0.035,663 0.037,664 -0.013,665 0.031,666 1.694,667 7.745,668 0.683,669 52.308,670 0.979,671 1.126,672 5.181,673 26.842,674 0.641,675 3.871,676 4.382,677 4.812,678 5.204,679 5.561,680 5.832,681 6.138,682 6.433,683 6.678,684 6.895,685 7.655,686 0.579,687 576.97,688 3.871,689 5.533,690 6.494,691 7.494,692 8.488,693 9.503,694 10.516,695 11.542,696 12.567,697 13.6,698 2.2,701 1,707 1,715 5,720 1,722 6,741 93,743 8,744 1,745 47,747 99,748 36,749 6,750 1,751 5,756 7,757 26,763 6,764 5,766 5,767 9,768 3,770 10,772 8,773 28,774 4,777 2,782 1,785 1,786 2,793 52,794 4,795 1,796 5,797 1,802 2,808 0.286,809 2,811 1,826 1,828 1,829 5,830 1,832 1,833 3,834 2,841 1,855 1,857 1,859 2,860 1,862 1,864 7,868 41,875 1,876 9,879 1,880 7,881 1,882 5,893 2.2,894 1,896 1,901 21.917,902 18.433,903 8.403,904 6.238,907 1.069,908 1.107,909 0.906,910 6.405,911 11.082,912 3.97,913 4.538,914 5.022,915 5.466,916 5.873,917 6.063,918 6.37,919 6.692,920 6.963,921 7.218,922 0.9,923 94,924 15.538,926 7.21,927 0.026,929 7.4,931 31.501,933 30.208,936 1.9,937 77.917,941 600.326,942 171.136,943 19.91,945 67.828,947 32.22,948 138.917,949 668.154,950 19.91,951 61.348,952 20.747,953 90.065,954 31.4,955 23.095,957 632.546,959 600.326,960 158.827,961 67.828,962 32.22,964 506.157,965 119.314,966 42.683,968 93.608,969 65.219,971 32.22,972 600.326,973 87.738,974 171.136,977 600.326,978 62.408,979 111.853,981 84.614,982 600.326,983 87.738,984 171.136,986 0.624,987 0.393,988 0.214,989 0.118,990 47,991 21,992 0.051,993 5,994 5,995 1.357,996 4.591,997 494.907,998 0.357,999 28,1000 211.66,1001 1,1005 28.605,1006 9.181,1007 3.611,1009 87.738,1010 10.654,1015 1.3,1017 42.683,1018 859.201,1019 52,1024 14.745,1027 5.357,1028 1.901,1031 91.025,1032 104.715,1034 0.2,1035 0.472,1036 0.736,1037 0.855,1038 0.889,1039 0.889,1040 5.391,1041 2.322,1042 6.624,1043 8.155,1044 5.069,1045 5.226,1046 3.654,1047 7.741,1048 5.033,1049 6.657,1050 2.078,1051 8.396,1052 7.207,1053 5.263,1054 5.359,1055 2.938,1056 9.594,1057 5.236,1058 8.074,1059 1.936,1060 10.302,1061 6.136,1062 7.076,1063 7.321,1064 6.001,1065 12.862,1066 7.032,1067 9.529,1068 1.572,1069 12.293,1070 5.895,1071 8.065,1072 8.203,1073 5.709,1074 15.504,1075 8.036,1076 11.029,1077 1.47,1078 14.339,1079 4.683,1080 9.534,1081 9.785,1082 8.568,1083 18.505,1084 9.499,1085 12.559,1086 1.374,1087 16.424,1088 4.124,1089 10.804,1090 10.963,1091 8.552,1092 21.371,1093 10.78,1094 14.112,1095 1.253,1096 18.535,1097 3.192,1098 12.209,1099 12.435,1100 11.181,1101 24.331,1102 12.186,1103 4.273,1104 1,1105 20.665,1106 2.976,1107 13.573,1108 13.739,1109 11.39,1110 27.264,1111 13.557,1112 3.894,1113 20.02,1114 22.81,1115 2.48,1116 14.976,1117 15.179,1118 13.809,1119 30.225,1120 14.963,1121 3.486,1122 17.406,1123 24.965,1124 4.322,1125 16.375,1126 16.544,1127 14.2,1128 33.183,1129 16.366,1130 2.914,1131 14.502,1132 27.129,1133 3.898,1134 17.787,1135 17.977,1136 16.446,1137 36.151,1138 17.782,1139 2.687,1140 11.244,1141 29.299,1142 3.586,1143 19.202,1144 19.376,1145 16.984,1146 39.121,1147 19.2,1148 2.573,1149 9.401,1150 31.475,1151 3.458,1152 20.623,1153 20.81,1154 19.089,1155 42.096,1156 20.624,1157 2.379,1158 8.386,1159 33.654,1160 3.114,1161 22.046,1162 22.229,1163 19.749,1164 45.074,1165 22.05,1166 23976,1167 31486,1168 30.107,1169 59.603,1170 75.349,1171 80.003,1172 81.213,1173 74.456,1174 74.499,1175 80.987,1176 15.578,1177 261.887,1178 72.856,1179 6.286,1180 6.588,1181 8.948,1182 6.431,1183 6.273,1184 7.322,1185 7.376,1186 30.405,1187 6.279,1188 25.391,1189 1.603,1190 1.702,1191 1.728,1192 1.584,1193 1.585,1194 1.723,1195 0.331,1196 5.572,1197 1.55,1198 4.221,1199 4.249,1200 4.176,1201 4.16,1202 7.426,1203 4.153,1204 3.969,1205 4.009,1206 3.99,1207 3.891,1208 6.449,1209 3.881,1210 3.909,1211 3.944,1212 3.859,1213 3.847,1214 4.762,1215 3.837,1216 3.781,1217 3.822,1218 3.782,1219 3.708,1220 4.666,1221 3.68,1222 3.601,1223 3.669,1224 3.48,1225 3.469,1226 4.459,1227 3.455,1228 3.539,1229 3.603,1230 3.4,1231 3.397,1232 4.305,1233 3.387,1234 3.45,1235 3.519,1236 3.289,1237 3.306,1238 4.174,1239 3.291,1240 3.348,1241 3.408,1242 3.27,1243 3.196,1244 4.041,1245 3.178,1246 0.112,1247 0.098,1248 0.195,1249 0.112,1250 0.091,1251 5.286,1252 0.092,1253 4.588,1254 0.081,1255 9.146,1256 0.426,1257 5.274,1258 0.091,1259 4.273,1260 4.322,1261 3.828,1262 20.02,1263 4.279,1264 2.011,1265 1.981,1266 2.147,1267 2.107,1268 1.634,1269 2.126,1270 1.923,1271 1.89,1272 2.062,1273 2.034,1274 1.488,1275 2.047,1276 1.885,1277 1.853,1278 2.03,1279 1.986,1280 1.335,1281 2.006,1282 1.734,1283 1.687,1284 1.932,1285 1.887,1286 1.159,1287 1.906,1288 1.66,1289 1.604,1290 1.905,1291 1.816,1292 1.147,1293 1.852,1294 1.47,1295 1.4,1296 1.748,1297 1.676,1298 1.079,1299 1.698,1300 1.439,1301 1.378,1302 1.707,1303 1.636,1304 0.995,1305 1.668,1306 1.388,1307 1.323,1308 1.672,1309 1.561,1310 0.918,1311 1.609,1312 4.554,1313 1.946,1314 6.019,1315 4.394,1316 7.71,1317 6.735,1318 9.52,1319 8.98,1320 11.401,1322 16.475,1327 11.85,1328 9.319,1331 2.005,1332 1.869,1333 2.416,1334 0.025,1340 53.829,1341 121.602,1342 287.064,1343 447.434,1344 519.838,1345 540.858,1346 540.858,1347 101.736,1348 10.013,1349 52.9,1350 78.2,1351 38,1352 14.042,1353 3.17,1354 2.585,1355 54.274,1356 187,1357 221,1358 0.147,1359 322.416,1360 578.83,1361 778.455,1362 341597,1364 29.165,1365 0.711,1366 0.665,1367 29.518,1368 27.267,1369 19.338,1370 0.411,1371 0.372,1372 16.505,1373 18.601,1374 15.65,1375 12.88,1376 19.793,1377 17.486,1378 19.799,1379 0.251,1380 0.219,1381 20.331,1382 17.327,1383 18.19,1384 0.149,1385 0.131,1386 19.035,1387 15.927,1388 16.177,1389 0.089,1390 0.074,1391 16.94,1392 13.468,1393 13.67,1394 0.053,1395 0.043,1396 14.47,1397 11.125,1398 0.227,1399 122.794,1400 0.182,1401 35.766,1402 0.419,1403 252,1404 436.036,1405 283.181,1406 452.911,1407 638.14,1408 426,1409 330,1410 467.544,1411 361.195,1412 497.42,1413 752.7,1414 467,1415 8.155}
{0 CHEMBL1783526,1 1.298,2 14.619,3 6.043,4 36.518,5 173.971,6 6.156,7 0.125,8 4.623,9 4.755,10 4.067,11 4.215,12 5.449,13 4.123,14 5.285,15 5.483,16 4.546,17 4.737,18 5.985,19 4.624,20 5.7,21 5.904,22 4.816,23 5.084,24 6.437,25 4.943,26 6.027,27 6.277,28 4.834,29 5.25,30 6.734,31 5.058,32 6.141,33 6.424,34 4.772,35 5.231,36 6.858,37 5.023,38 6.067,39 6.363,40 4.616,41 5.124,42 6.807,43 4.904,44 5.941,45 6.235,46 4.521,47 5.018,48 6.647,49 4.8,50 5.858,51 6.162,52 4.458,53 4.949,54 6.501,55 4.727,56 0.113,57 1.35,58 25.181,59 10.954,60 14.54,61 15.08,62 0.28,63 2.465,64 49.417,65 19.778,66 22.721,67 27.666,68 0.435,69 3.613,70 73.522,71 29.732,72 44.523,73 41.193,74 0.7,75 4.685,76 104.362,77 40.034,78 74.359,79 54.913,80 0.888,81 4.85,82 111.532,83 41.68,84 104.824,85 57.863,86 0.97,87 4.423,88 103.406,89 38.667,90 127.865,91 53.685,92 0.739,93 3.909,94 89.194,95 34.248,96 96.044,97 47.955,98 0.548,99 3.639,100 81.896,101 32.01,102 69.8,103 44.776,104 83,105 80,106 0.193,107 0.456,108 0.719,109 0.837,110 0.87,111 0.87,112 3.766,113 1.124,114 -6.59,115 -6.41,116 -5.94,121 38.5,122 6,123 8,124 4,125 5,126 1,127 2,129 3,144 5,145 1,158 1,160 1,176 28,180 9,185 2,187 44,192 11,197 2,200 46,206 14,209 1,211 5,214 38,219 12,224 2,227 35,231 1,232 6,235 1,237 4,239 32,243 1,244 6,249 3,251 31,256 6,261 4,264 30,269 6,274 3,277 26,281 3372,282 27.507,283 27.507,284 27.507,285 27.507,286 27.507,287 26.432,288 28.192,289 14.926,290 27.844,291 23.515,292 23.515,293 23.515,294 23.515,295 23.515,296 21.85,297 35.003,298 6.893,299 24.072,300 5.287,301 3.511,302 1.737,303 0.941,304 0.722,305 0.722,306 4.472,313 1374,314 5.477,315 30.046,317 63.551,318 401.73,319 71.33,321 103.786,322 347.232,323 235.356,325 2.553,326 39.763,329 0.5,330 0.5,331 0.67,332 0.8,333 1,334 0.67,335 1,336 0.73,337 87,338 614,339 5.286,340 4.588,341 9.146,342 5.274,343 4.273,344 4.322,345 3.828,346 20.02,347 4.279,348 4.895,349 4.45,350 8.655,351 4.891,352 3.894,353 3.897,354 2.178,355 17.406,356 3.884,357 4.514,358 3.91,359 7.865,360 4.473,361 3.486,362 3.585,363 0.8,364 14.502,365 3.445,366 3.945,367 3.58,368 7.051,369 3.87,370 2.9,371 3.446,372 0.694,373 11.241,374 2.819,375 3.915,376 3.237,377 6.643,378 3.618,379 2.686,380 3.115,382 9.392,383 2.529,384 3.855,385 3.075,386 6.145,387 3.536,388 2.543,389 2.89,391 8.302,392 2.507,393 3.555,394 2.938,395 5.933,396 3.405,397 2.408,398 2.648,400 8.15,401 2.41,402 3.427,403 2.724,404 5.505,405 3.364,406 2.365,407 2.435,409 7.005,410 2.332,411 3.125,412 2.539,413 5.473,414 3.061,415 2.111,416 2.149,418 6.426,419 1.994,420 2.956,421 2.37,422 5.319,423 2.917,424 1.937,425 2.057,427 5.909,428 1.896,429 2.916,430 2.057,431 5.117,432 2.58,433 1.589,434 1.955,436 4.724,437 1.573,438 2.625,439 1.865,440 4.772,441 2.492,442 1.503,443 1.603,445 4.128,446 1.486,447 2.535,448 1.746,449 4.225,450 2.407,451 1.406,452 1.512,454 3.268,455 1.4,456 2.5,457 1.61,458 4.143,459 2.153,460 1.259,461 1.5,463 2.978,464 1.102,465 2.396,466 1.447,467 4,468 2.067,469 1.085,470 1.348,472 2.796,473 1.056,474 20.8,475 0.495,476 1.678,477 0.04,478 34.75,479 0.827,480 9,481 0.214,482 25.75,483 0.613,484 79.286,485 1.888,486 48.2,487 0.502,488 20.387,489 0.485,490 4.052,491 0.096,492 15.786,493 0.376,494 0.2,495 0.12,496 0.26,501 0.777,502 1.236,503 0.947,504 1.1,505 0.786,506 1.107,507 0.81,508 1.033,509 0.936,510 0.979,511 0.623,512 0.945,513 1.043,514 1.192,515 1.056,516 1.123,517 0.985,518 1.15,519 0.995,520 1.203,521 1.249,522 1.245,523 0.931,524 1.181,525 1.448,526 0.998,527 1.014,528 0.978,529 1.501,530 1.004,531 1.271,532 0.929,533 0.997,534 0.944,535 1.388,536 0.956,537 1.153,538 0.94,539 0.887,540 0.915,541 1.341,542 0.964,543 0.886,544 0.895,545 0.844,546 0.875,547 0.902,548 0.9,549 13,550 0.459,551 10.222,552 7.187,553 5.331,554 3.084,555 1.796,556 1.346,557 0.954,558 0.673,559 28394,560 48417,561 2.082,562 56.3,563 25,564 15,567 1,568 3,569 9,570 1,572 1.813,573 1.874,574 3.748,575 -0.502,582 124.643,583 1.298,584 3.074,585 4.848,586 5.644,587 5.863,588 5.863,589 3.398,590 5.011,591 5.35,592 3.934,593 3387.22,594 9.478,595 55789.8,600 632.156,601 1.876,602 5.269,603 0.271,604 0.01,605 0.133,606 0.076,607 0.059,608 0.038,609 0.025,610 0.021,611 0.015,612 0.012,613 0.659,614 0.17,615 0.63,616 0.733,617 235.506,618 0.007,619 0.011,620 0.086,621 0.074,622 -0.068,623 0.071,624 0.018,625 0.132,626 0.12,627 0.132,628 0.013,629 0.154,630 -0.054,631 -0.061,632 -0.041,633 -0.049,634 -0.057,635 -0.071,636 -0.011,637 -0.14,638 -0.149,639 -0.173,641 -0.151,642 -0.081,643 -0.034,644 -0.039,645 -0.026,646 -0.068,647 -0.041,648 0.024,649 0.014,650 -0.023,651 0.002,652 0.034,653 -0.002,654 -0.002,655 -0.005,656 0.015,657 0.009,658 -0.034,659 -0.003,660 0.009,661 0.044,662 0.071,663 0.064,664 0.008,665 0.066,666 1.684,667 7.765,668 0.667,669 57.34,670 0.978,671 1.126,672 5.358,673 28.707,674 0.639,675 3.892,676 4.394,677 4.82,678 5.204,679 5.561,680 5.832,681 6.131,682 6.428,683 6.673,684 6.887,685 8.027,686 0.577,687 591,688 3.892,689 5.549,690 6.506,691 7.502,692 8.494,693 9.506,694 10.517,695 11.542,696 12.566,697 13.598,698 2.1,701 1,707 1,715 5,720 1,722 6,741 96,743 8,744 1,745 48,747 102,748 37,749 6,750 1,751 5,756 7,757 26,763 6,764 5,766 5,767 9,768 3,770 11,772 8,773 29,774 4,777 2,782 1,785 1,786 2,793 54,794 4,795 1,796 5,797 1,802 2,808 0.286,809 2,811 1,826 1,828 1,829 5,830 1,832 1,833 3,834 2,841 1,855 1,857 1,859 2,860 1,862 1,864 7,868 42,875 1,876 10,879 1,880 7,881 1,882 5,893 2.1,894 1,896 1,901 22.417,902 18.933,903 8.653,904 6.488,907 1.051,908 1.105,909 0.906,910 6.804,911 11.099,912 3.989,913 4.549,914 5.029,915 5.462,916 5.866,917 6.052,918 6.345,919 6.662,920 6.941,921 7.184,922 1,923 95,924 15.917,926 7.352,927 0.026,929 7.391,931 32.318,933 30.875,936 1.891,937 79.417,941 623.868,942 173.671,943 19.91,945 67.828,947 32.22,948 141.451,949 691.697,950 19.91,951 61.348,952 23.282,953 90.065,954 31.4,955 23.095,957 656.088,959 623.868,960 161.361,961 67.828,962 32.22,964 506.157,965 142.856,966 42.683,968 96.143,969 65.219,971 32.22,972 623.868,973 87.738,974 173.671,977 623.868,978 64.942,979 111.853,981 84.614,982 623.868,983 87.738,984 173.671,986 0.622,987 0.391,988 0.21,989 0.116,990 47,991 21,992 0.059,993 6,994 5,995 1.357,996 4.704,997 504.818,998 0.357,999 28,1000 220.477,1001 1,1005 29.549,1006 9.671,1007 3.846,1009 87.738,1010 10.721,1015 1.357,1017 42.683,1018 885.278,1019 53,1024 14.765,1027 5.361,1028 1.908,1031 93.908,1032 108.131,1034 0.197,1035 0.467,1036 0.736,1037 0.857,1038 0.89,1039 0.89,1040 5.405,1041 2.365,1042 6.632,1043 8.15,1044 5.081,1045 5.236,1046 3.64,1047 7.744,1048 5.045,1049 6.666,1050 2.111,1051 8.401,1052 7.005,1053 5.263,1054 5.359,1055 2.938,1056 9.594,1057 5.236,1058 8.079,1059 1.937,1060 10.304,1061 6.426,1062 7.081,1063 7.325,1064 6,1065 12.861,1066 7.038,1067 9.533,1068 1.589,1069 12.294,1070 5.909,1071 8.065,1072 8.203,1073 5.709,1074 15.503,1075 8.036,1076 11.031,1077 1.503,1078 14.339,1079 4.724,1080 9.535,1081 9.786,1082 8.568,1083 18.505,1084 9.501,1085 12.56,1086 1.406,1087 16.423,1088 4.128,1089 10.803,1090 10.962,1091 8.552,1092 21.371,1093 10.78,1094 14.113,1095 1.259,1096 18.535,1097 3.268,1098 12.208,1099 12.434,1100 11.181,1101 24.331,1102 12.186,1103 4.273,1104 1.085,1105 20.665,1106 2.978,1107 13.572,1108 13.737,1109 11.39,1110 27.264,1111 13.556,1112 3.894,1113 20.02,1114 22.81,1115 2.796,1116 14.976,1117 15.177,1118 13.809,1119 30.225,1120 14.963,1121 3.486,1122 17.406,1123 24.965,1124 4.322,1125 16.375,1126 16.543,1127 14.2,1128 33.183,1129 16.366,1130 2.9,1131 14.502,1132 27.129,1133 3.897,1134 17.787,1135 17.975,1136 16.446,1137 36.151,1138 17.782,1139 2.686,1140 11.241,1141 29.299,1142 3.585,1143 19.202,1144 19.374,1145 16.984,1146 39.121,1147 19.2,1148 2.543,1149 9.392,1150 31.475,1151 3.446,1152 20.622,1153 20.808,1154 19.089,1155 42.096,1156 20.623,1157 2.408,1158 8.302,1159 33.654,1160 3.115,1161 22.046,1162 22.227,1163 19.749,1164 45.074,1165 22.05,1166 26237,1167 34272,1168 30.8,1169 61.364,1170 76.758,1171 81.26,1172 82.704,1173 75.827,1174 75.873,1175 82.376,1176 15.001,1177 264.679,1178 74.224,1179 6.286,1180 6.588,1181 8.948,1182 6.431,1183 6.273,1184 7.322,1185 7.376,1186 30.405,1187 6.279,1188 25.866,1189 1.599,1190 1.693,1191 1.723,1192 1.58,1193 1.581,1194 1.716,1195 0.313,1196 5.514,1197 1.546,1198 4.221,1199 4.249,1200 4.176,1201 4.161,1202 7.426,1203 4.154,1204 3.967,1205 4.006,1206 3.99,1207 3.889,1208 6.449,1209 3.878,1210 3.918,1211 3.952,1212 3.854,1213 3.858,1214 4.759,1215 3.847,1216 3.788,1217 3.83,1218 3.793,1219 3.711,1220 4.666,1221 3.684,1222 3.629,1223 3.699,1224 3.511,1225 3.481,1226 4.462,1227 3.471,1228 3.554,1229 3.615,1230 3.415,1231 3.421,1232 4.319,1233 3.411,1234 3.456,1235 3.523,1236 3.292,1237 3.319,1238 4.186,1239 3.303,1240 3.351,1241 3.41,1242 3.277,1243 3.2,1244 4.043,1245 3.182,1246 0.11,1247 0.096,1248 0.191,1249 0.11,1250 0.089,1251 5.286,1252 0.09,1253 4.588,1254 0.08,1255 9.146,1256 0.417,1257 5.274,1258 0.089,1259 4.273,1260 4.322,1261 3.828,1262 20.02,1263 4.279,1264 2.011,1265 1.981,1266 2.147,1267 2.106,1268 1.634,1269 2.125,1270 1.926,1271 1.894,1272 2.069,1273 2.032,1274 1.488,1275 2.048,1276 1.89,1277 1.857,1278 2.036,1279 1.991,1280 1.342,1281 2.012,1282 1.748,1283 1.698,1284 1.944,1285 1.909,1286 1.219,1287 1.925,1288 1.661,1289 1.606,1290 1.907,1291 1.817,1292 1.152,1293 1.853,1294 1.505,1295 1.438,1296 1.765,1297 1.71,1298 1.08,1299 1.729,1300 1.454,1301 1.39,1302 1.727,1303 1.638,1304 0.995,1305 1.674,1306 1.39,1307 1.327,1308 1.672,1309 1.562,1310 0.96,1311 1.61,1312 4.575,1313 1.946,1314 6.033,1315 4.394,1316 7.719,1317 6.735,1318 9.524,1319 8.98,1320 11.403,1322 16.536,1327 11.869,1328 10.458,1331 2.007,1332 1.929,1333 2.455,1334 0.049,1340 55.356,1341 124.643,1342 295.084,1343 465.449,1344 541.853,1345 562.872,1346 562.872,1347 105.227,1348 10.048,1349 52.9,1350 78.2,1351 38,1352 14.041,1353 3.17,1354 2.585,1355 56.292,1356 200,1357 247,1358 0.142,1359 332.008,1360 596.13,1361 801.86,1362 363365,1364 29.872,1365 0.711,1366 0.666,1367 30.225,1368 27.974,1369 19.838,1370 0.413,1371 0.375,1372 17.005,1373 19.097,1374 16.145,1375 13.281,1376 20.293,1377 17.986,1378 20.141,1379 0.252,1380 0.221,1381 20.672,1382 17.642,1383 18.515,1384 0.151,1385 0.132,1386 19.361,1387 16.249,1388 16.251,1389 0.09,1390 0.075,1391 17.014,1392 13.606,1393 13.741,1394 0.053,1395 0.043,1396 14.541,1397 11.231,1398 0.22,1399 125.794,1400 0.18,1401 36.677,1402 0.399,1403 256,1404 440.036,1405 287.181,1406 456.808,1407 643.78,1408 430,1409 334,1410 471.544,1411 365.028,1412 500.805,1413 757.16,1414 471,1415 7.699}
{0 CHEMBL1783527,1 1.29,2 15.372,3 6.499,4 42.24,5 178.572,6 6.111,7 0.122,8 4.651,9 4.784,10 4.087,11 4.24,12 5.472,13 4.147,14 5.313,15 5.513,16 4.56,17 4.76,18 6.008,19 4.645,20 5.728,21 5.936,22 4.827,23 5.103,24 6.456,25 4.959,26 6.047,27 6.299,28 4.843,29 5.267,30 6.748,31 5.073,32 6.156,33 6.439,34 4.778,35 5.249,36 6.869,37 5.038,38 6.096,39 6.397,40 4.62,41 5.137,42 6.82,43 4.912,44 5.953,45 6.25,46 4.534,47 5.025,48 6.651,49 4.808,50 5.878,51 6.179,52 4.455,53 4.97,54 6.514,55 4.745,56 0.117,57 1.39,58 26.019,59 11.308,60 14.638,61 15.595,62 0.287,63 2.531,64 50.844,65 20.374,66 22.775,67 28.545,68 0.447,69 3.697,70 75.539,71 30.525,72 44.579,73 42.371,74 0.717,75 4.765,76 106.157,77 40.693,78 74.393,79 55.943,80 0.879,81 4.917,82 112.803,83 42.489,84 103.699,85 58.971,86 0.987,87 4.517,88 105.732,89 39.394,90 127.46,91 54.882,92 0.75,93 3.951,94 90.058,95 34.327,96 94.003,97 48.239,98 0.571,99 3.714,100 83.368,101 32.522,102 68.323,103 45.557,104 83,105 81,106 0.19,107 0.448,108 0.714,109 0.84,110 0.871,111 0.871,112 3.788,113 1.132,114 -6.76,115 -6.58,116 -6.09,121 38.4,122 6,123 9,124 4,125 5,126 1,127 2,129 3,144 5,145 1,158 1,160 1,176 29,180 9,185 2,187 45,192 11,197 2,200 48,206 13,209 1,211 5,214 40,219 12,224 2,227 36,231 1,232 7,235 1,237 4,239 30,243 1,244 7,249 3,251 30,256 6,261 3,264 28,269 6,274 3,277 27,281 3735,282 28.214,283 28.214,284 28.214,285 28.214,286 28.214,287 27.139,288 30.024,289 15.412,290 28.551,291 24.015,292 24.015,293 24.015,294 24.015,295 24.015,296 22.35,297 37.612,298 7.12,299 24.574,300 5.34,301 3.589,302 1.788,303 0.932,304 0.72,305 0.72,306 4.494,313 1478,314 5.568,315 31.595,317 66.284,318 423.611,319 74.942,321 108.379,322 363.928,323 246.769,325 2.694,326 40.076,329 0.5,330 0.5,331 0.67,332 0.8,333 1,334 0.67,335 1,336 0.73,337 89,338 661,339 5.286,340 4.588,341 9.146,342 5.274,343 4.273,344 4.322,345 3.828,346 20.02,347 4.279,348 4.895,349 4.45,350 8.655,351 4.891,352 3.894,353 3.897,354 2.178,355 17.406,356 3.884,357 4.514,358 3.91,359 7.865,360 4.473,361 3.486,362 3.585,363 0.8,364 14.502,365 3.445,366 3.939,367 3.58,368 7.051,369 3.868,370 2.897,371 3.444,372 0.694,373 11.241,374 2.818,375 3.903,376 3.237,377 6.643,378 3.618,379 2.686,380 3.115,382 9.392,383 2.524,384 3.874,385 3.067,386 6.144,387 3.526,388 2.528,389 2.892,391 8.297,392 2.507,393 3.555,394 2.937,395 5.933,396 3.416,397 2.433,398 2.648,400 8.15,401 2.413,402 3.434,403 2.72,404 5.491,405 3.376,406 2.369,407 2.437,409 6.97,410 2.347,411 3.128,412 2.57,413 5.472,414 3.072,415 2.12,416 2.144,418 6.481,419 2.006,420 2.957,421 2.371,422 5.337,423 2.917,424 1.938,425 2.088,427 5.91,428 1.897,429 2.936,430 2.058,431 5.118,432 2.611,433 1.619,434 1.955,436 4.735,437 1.604,438 2.642,439 1.869,440 4.772,441 2.519,442 1.53,443 1.623,445 4.129,446 1.513,447 2.535,448 1.75,449 4.225,450 2.419,451 1.423,452 1.513,454 3.359,455 1.41,456 2.5,457 1.644,458 4.16,459 2.211,460 1.27,461 1.5,463 2.991,464 1.203,465 2.4,466 1.469,467 4,468 2.143,469 1.194,470 1.355,472 2.951,473 1.092,474 21.3,475 0.495,476 1.678,477 0.039,478 35.25,479 0.82,480 9,481 0.209,482 26.25,483 0.61,484 81.784,485 1.902,486 49.5,487 0.5,488 20.359,489 0.473,490 4.052,491 0.094,492 16.286,493 0.379,494 0.196,495 0.117,496 0.254,501 0.781,502 1.243,503 0.957,504 1.109,505 0.787,506 1.116,507 0.813,508 1.045,509 0.946,510 0.991,511 0.625,512 0.959,513 1.043,514 1.187,515 1.054,516 1.12,517 0.985,518 1.145,519 1.019,520 1.184,521 1.25,522 1.233,523 0.942,524 1.171,525 1.443,526 1.024,527 1.028,528 1.003,529 1.522,530 1.028,531 1.27,532 0.921,533 0.981,534 0.929,535 1.377,536 0.938,537 1.187,538 0.938,539 0.885,540 0.905,541 1.351,542 0.951,543 0.975,544 0.924,545 0.893,546 0.905,547 0.988,548 0.94,549 13,550 0.478,551 10.222,552 7.312,553 5.251,554 3.029,555 1.856,556 1.266,557 0.99,558 0.684,559 31035,560 52366,561 2.08,562 56.6,563 27,564 15,567 1,568 3,569 9,570 1,572 1.818,573 1.876,574 3.811,575 -0.508,582 127.673,583 1.29,584 3.04,585 4.842,586 5.697,587 5.909,588 5.909,589 3.415,590 5.194,591 5.382,592 4.009,593 3620.28,594 9.539,595 61497.4,600 656.306,601 1.862,602 5.305,603 0.265,604 0.009,605 0.131,606 0.076,607 0.057,608 0.037,609 0.026,610 0.019,611 0.016,612 0.012,613 0.65,614 0.17,615 0.63,616 0.725,617 243.966,618 0.008,619 0.011,620 0.085,621 0.073,622 -0.066,623 0.07,624 0.019,625 0.123,626 0.114,627 0.124,628 0.013,629 0.144,630 -0.05,631 -0.057,632 -0.034,633 -0.044,634 -0.054,635 -0.065,636 -0.017,637 -0.119,638 -0.146,639 -0.161,640 -0.002,641 -0.142,642 -0.079,643 -0.058,644 -0.051,645 -0.046,646 -0.072,647 -0.06,648 0.033,649 0.017,650 -0.009,651 0.012,652 0.041,653 0.011,655 0.001,656 0.023,657 0.017,658 -0.027,659 0.007,660 -0.025,661 0.023,662 0.029,663 0.037,664 -0.03,665 0.027,666 1.677,667 7.783,668 0.651,669 62.808,670 0.978,671 1.127,672 5.533,673 30.615,674 0.638,675 3.912,676 4.407,677 4.828,678 5.209,679 5.561,680 5.832,681 6.131,682 6.423,683 6.669,684 6.882,685 8.417,686 0.575,687 605.03,688 3.912,689 5.565,690 6.518,691 7.51,692 8.5,693 9.51,694 10.52,695 11.543,696 12.567,697 13.599,698 2,701 1,707 1,715 5,720 1,722 6,741 99,743 8,744 1,745 49,747 105,748 38,749 6,750 1,751 5,756 7,757 26,763 6,764 5,766 5,767 9,768 3,770 12,772 8,773 30,774 4,777 2,782 1,785 1,786 2,793 56,794 4,795 1,796 5,797 1,802 2,808 0.286,809 2,811 1,826 1,828 1,829 5,830 1,832 1,833 3,834 2,841 1,855 1,857 1,859 2,860 1,862 1,864 7,868 43,875 1,876 11,879 1,880 7,881 1,882 5,893 2,894 1,896 1,901 22.917,902 19.433,903 8.903,904 6.738,907 1.034,908 1.103,909 0.906,910 7.213,911 11.117,912 4.007,913 4.559,914 5.035,915 5.466,916 5.863,917 6.046,918 6.337,919 6.644,920 6.918,921 7.166,922 0.909,923 96,924 16.295,926 7.494,927 0.026,929 7.382,931 33.134,933 31.541,936 1.882,937 80.917,941 647.411,942 176.206,943 19.91,945 67.828,947 32.22,948 143.986,949 715.239,950 19.91,951 61.348,952 25.816,953 90.065,954 31.4,955 23.095,957 679.63,959 647.411,960 163.896,961 67.828,962 32.22,964 529.7,965 142.856,966 42.683,968 98.677,969 65.219,971 32.22,972 647.411,973 87.738,974 176.206,977 647.411,978 67.477,979 111.853,981 84.614,982 647.411,983 87.738,984 176.206,986 0.619,987 0.388,988 0.209,989 0.114,990 47,991 21,992 0.067,993 7,994 5,995 1.357,996 4.816,997 514.799,998 0.357,999 28,1000 227.329,1001 1,1005 30.496,1006 10.171,1007 4.084,1009 87.738,1010 10.767,1015 1.392,1017 42.683,1018 911.354,1019 54,1024 14.783,1027 5.365,1028 1.914,1031 96.792,1032 111.546,1034 0.195,1035 0.459,1036 0.73,1037 0.859,1038 0.891,1039 0.891,1040 5.418,1041 2.369,1042 6.64,1043 8.15,1044 5.094,1045 5.247,1046 3.64,1047 7.747,1048 5.058,1049 6.675,1050 2.12,1051 8.405,1052 6.97,1053 5.263,1054 5.359,1055 2.938,1056 9.594,1057 5.236,1058 8.085,1059 1.938,1060 10.307,1061 6.481,1062 7.086,1063 7.329,1064 6,1065 12.861,1066 7.043,1067 9.536,1068 1.619,1069 12.295,1070 5.91,1071 8.065,1072 8.203,1073 5.709,1074 15.503,1075 8.036,1076 11.033,1077 1.53,1078 14.34,1079 4.735,1080 9.536,1081 9.787,1082 8.568,1083 18.505,1084 9.503,1085 12.561,1086 1.423,1087 16.424,1088 4.129,1089 10.803,1090 10.962,1091 8.552,1092 21.371,1093 10.78,1094 14.114,1095 1.27,1096 18.535,1097 3.359,1098 12.209,1099 12.434,1100 11.181,1101 24.331,1102 12.186,1103 4.273,1104 1.194,1105 20.665,1106 2.991,1107 13.572,1108 13.737,1109 11.39,1110 27.264,1111 13.556,1112 3.894,1113 20.02,1114 22.81,1115 2.951,1116 14.976,1117 15.177,1118 13.809,1119 30.225,1120 14.963,1121 3.486,1122 17.406,1123 24.965,1124 4.322,1125 16.375,1126 16.542,1127 14.2,1128 33.183,1129 16.366,1130 2.897,1131 14.502,1132 27.129,1133 3.897,1134 17.787,1135 17.975,1136 16.446,1137 36.151,1138 17.782,1139 2.686,1140 11.241,1141 29.299,1142 3.585,1143 19.202,1144 19.374,1145 16.984,1146 39.121,1147 19.2,1148 2.528,1149 9.392,1150 31.475,1151 3.444,1152 20.622,1153 20.808,1154 19.089,1155 42.096,1156 20.623,1157 2.433,1158 8.297,1159 33.654,1160 3.115,1161 22.046,1162 22.227,1163 19.749,1164 45.074,1165 22.05,1166 28678,1167 37264,1168 31.493,1169 63.126,1170 77.887,1171 82.523,1172 84.047,1173 77.018,1174 77.057,1175 83.549,1176 15.001,1177 266.991,1178 75.411,1179 6.286,1180 6.588,1181 8.948,1182 6.431,1183 6.273,1184 7.322,1185 7.376,1186 30.405,1187 6.279,1188 26.341,1189 1.59,1190 1.684,1191 1.715,1192 1.572,1193 1.573,1194 1.705,1195 0.306,1196 5.449,1197 1.539,1198 4.221,1199 4.25,1200 4.176,1201 4.161,1202 7.426,1203 4.154,1204 3.965,1205 4.005,1206 3.99,1207 3.888,1208 6.449,1209 3.876,1210 3.923,1211 3.957,1212 3.851,1213 3.863,1214 4.758,1215 3.852,1216 3.793,1217 3.837,1218 3.8,1219 3.714,1220 4.667,1221 3.687,1222 3.656,1223 3.725,1224 3.538,1225 3.504,1226 4.464,1227 3.496,1228 3.562,1229 3.622,1230 3.423,1231 3.44,1232 4.327,1233 3.426,1234 3.463,1235 3.529,1236 3.3,1237 3.335,1238 4.192,1239 3.316,1240 3.386,1241 3.46,1242 3.283,1243 3.245,1244 4.045,1245 3.225,1246 0.108,1247 0.094,1248 0.187,1249 0.108,1250 0.087,1251 5.286,1252 0.088,1253 4.588,1254 0.078,1255 9.146,1256 0.409,1257 5.274,1258 0.087,1259 4.273,1260 4.322,1261 3.828,1262 20.02,1263 4.279,1264 2.011,1265 1.98,1266 2.147,1267 2.106,1268 1.634,1269 2.125,1270 1.928,1271 1.896,1272 2.074,1273 2.03,1274 1.489,1275 2.048,1276 1.893,1277 1.859,1278 2.04,1279 1.997,1280 1.352,1281 2.017,1282 1.758,1283 1.707,1284 1.954,1285 1.924,1286 1.267,1287 1.938,1288 1.662,1289 1.607,1290 1.908,1291 1.818,1292 1.152,1293 1.854,1294 1.561,1295 1.499,1296 1.809,1297 1.745,1298 1.081,1299 1.768,1300 1.458,1301 1.392,1302 1.738,1303 1.639,1304 1.018,1305 1.676,1306 1.394,1307 1.335,1308 1.672,1309 1.58,1310 0.995,1311 1.615,1312 4.595,1313 1.946,1314 6.047,1315 4.394,1316 7.728,1317 6.735,1318 9.529,1319 8.98,1320 11.405,1322 16.581,1327 11.887,1328 11.706,1331 2.009,1332 1.969,1333 2.479,1334 0.065,1340 56.883,1341 127.673,1342 300.978,1343 479.315,1344 564.003,1345 585.022,1346 585.022,1347 108.746,1348 10.083,1349 52.9,1350 78.2,1351 38,1352 14.041,1353 3.17,1354 2.585,1355 58.354,1356 213,1357 274,1358 0.137,1359 341.601,1360 613.43,1361 825.266,1362 385940,1364 30.579,1365 0.711,1366 0.667,1367 30.932,1368 28.681,1369 20.338,1370 0.415,1371 0.377,1372 17.505,1373 19.597,1374 16.635,1375 13.697,1376 20.793,1377 18.486,1378 20.494,1379 0.253,1380 0.222,1381 21.026,1382 17.996,1383 18.756,1384 0.151,1385 0.133,1386 19.602,1387 16.472,1388 16.481,1389 0.091,1390 0.076,1391 17.244,1392 13.833,1393 13.793,1394 0.053,1395 0.044,1396 14.594,1397 11.329,1398 0.213,1399 128.794,1400 0.178,1401 37.586,1402 0.38,1403 260,1404 444.036,1405 291.181,1406 460.969,1407 649.54,1408 434,1409 338,1410 475.544,1411 369.028,1412 504.964,1413 762.86,1414 475,1415 7.119}
{0 CHEMBL1783528,1 1.339,2 14.14,3 5.705,4 32.552,5 175.68,6 6.258,7 0.122,8 4.639,9 4.767,10 4.096,11 4.213,12 5.493,13 4.13,14 5.297,15 5.494,16 4.572,17 4.732,18 6.022,19 4.629,20 5.693,21 5.887,22 4.855,23 5.085,24 6.459,25 4.956,26 6.038,27 6.282,28 4.881,29 5.263,30 6.771,31 5.082,32 6.153,33 6.428,34 4.817,35 5.258,36 6.891,37 5.057,38 6.106,39 6.4,40 4.659,41 5.155,42 6.857,43 4.939,44 5.964,45 6.255,46 4.584,47 5.041,48 6.687,49 4.834,50 5.881,51 6.172,52 4.553,53 4.976,54 6.585,55 4.773,56 0.11,57 1.362,58 25.322,59 10.999,60 16.412,61 14.97,62 0.32,63 2.462,64 49.998,65 19.656,66 27.596,67 27.262,68 0.429,69 3.596,70 72.914,71 29.49,72 48.599,73 40.556,74 0.814,75 4.72,76 106.194,77 39.985,78 82.966,79 54.845,80 0.932,81 4.916,82 113.674,83 42.162,84 113.256,85 58.653,86 1.09,87 4.542,88 108.47,89 39.645,90 140.645,91 55.249,92 0.808,93 3.964,94 92.18,95 34.785,96 104.282,97 48.752,98 0.734,99 3.696,100 85.135,101 32.334,102 88.467,103 45.204,104 105,105 82,106 0.198,107 0.466,108 0.737,109 0.848,110 0.879,111 0.879,112 3.788,113 1.103,114 -6.07,115 -5.92,116 -5.5,121 38.1,122 6,123 7,124 4,125 5,126 2,127 2,129 3,144 4,145 1,146 1,158 1,160 1,176 25,180 11,185 2,187 40,192 13,197 2,200 43,205 1,206 15,209 1,211 5,214 37,219 11,224 2,227 35,231 1,232 7,235 1,237 4,239 32,243 1,244 7,249 3,251 29,256 10,259 1,261 4,264 27,269 8,274 2,277 21,281 3519,282 28.17,283 28.17,284 28.17,285 28.17,286 28.17,287 27.095,288 31.343,289 15.14,290 28.67,291 23.93,292 23.93,293 23.93,294 23.93,295 23.93,296 22.187,297 41.326,298 6.866,299 24.659,300 5.261,301 3.453,302 1.62,303 0.869,304 0.66,305 0.66,306 4.493,313 1351,314 5.523,315 30.765,317 64.19,318 407.61,319 73,321 105.18,322 355.423,323 240.626,325 2.481,326 42.827,329 0.5,330 0.5,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.8,337 90,338 608,339 5.286,340 4.588,341 9.146,342 5.274,343 4.273,344 4.322,345 3.828,346 20.02,347 4.279,348 4.895,349 4.45,350 8.655,351 4.891,352 3.894,353 3.898,354 2.178,355 17.406,356 3.884,357 4.514,358 3.91,359 7.865,360 4.473,361 3.486,362 3.805,363 0.916,364 14.502,365 3.445,366 4.211,367 3.58,368 7.052,369 3.917,370 2.952,371 3.585,372 0.86,373 11.245,374 2.852,375 3.934,376 3.239,377 6.644,378 3.767,379 2.791,380 3.115,381 0.694,382 9.432,383 2.724,384 3.865,385 3.221,386 6.211,387 3.617,388 2.684,389 2.885,390 0.172,391 9.092,392 2.507,393 3.554,394 2.981,395 6.082,396 3.405,397 2.412,398 2.648,400 8.226,401 2.41,402 3.42,403 2.929,404 5.933,405 3.36,406 2.365,407 2.436,409 8.141,410 2.323,411 3.128,412 2.568,413 5.479,414 3.054,415 2.107,416 2.156,418 6.461,419 1.984,420 2.957,421 2.372,422 5.467,423 2.917,424 1.937,425 2.086,427 5.911,428 1.895,429 2.917,430 2.062,431 5.118,432 2.591,433 1.619,434 1.967,436 4.775,437 1.573,438 2.86,439 2.003,440 4.772,441 2.486,442 1.523,443 1.945,445 4.177,446 1.46,447 2.598,448 1.841,449 4.436,450 2.447,451 1.461,452 1.575,454 4.063,455 1.434,456 2.535,457 1.735,458 4.222,459 2.378,460 1.373,461 1.511,463 3.074,464 1.374,465 2.394,466 1.545,467 4.023,468 2.149,469 1.253,470 1.346,472 2.976,473 1.095,474 21.133,475 0.491,476 1.729,477 0.04,478 36.25,479 0.843,480 9.5,481 0.221,482 26.75,483 0.622,484 80.894,485 1.881,486 49.667,487 0.512,488 23.371,489 0.544,490 4.528,491 0.105,492 15.759,493 0.366,494 0.221,495 0.118,496 0.279,501 0.789,502 1.267,503 0.927,504 1.126,505 0.784,506 1.112,507 0.916,508 0.994,509 0.916,510 0.939,511 0.658,512 0.901,513 0.944,514 1.23,515 1.041,516 1.149,517 0.966,518 1.162,519 0.934,520 1.19,521 1.242,522 1.235,523 0.923,524 1.177,525 1.194,526 1.038,527 1.025,528 1.018,529 1.445,530 1.047,531 1.131,532 0.915,533 0.993,534 0.937,535 1.328,536 0.956,537 1.009,538 0.935,539 0.863,540 0.909,541 1.251,542 0.952,543 0.862,544 0.929,545 0.854,546 0.907,547 0.942,548 0.926,549 13.5,550 0.466,551 10.667,552 7.5,553 5.642,554 3.175,555 1.944,556 1.418,557 1.043,558 0.747,559 29395,560 53494,561 2.066,562 55.7,563 25,564 17,567 1,568 3,569 7,570 1,572 1.819,573 1.849,574 3.725,575 -0.485,582 129.923,583 1.339,584 3.147,585 4.98,586 5.731,587 5.94,588 5.94,589 3.283,590 5.287,591 5.388,592 3.918,593 3537.63,594 9.554,595 58917.3,600 640.192,601 1.895,602 5.298,603 0.276,604 0.01,605 0.135,606 0.076,607 0.059,608 0.037,609 0.026,610 0.021,611 0.015,612 0.013,613 0.667,614 0.17,615 0.63,616 0.821,617 242.21,618 0.009,619 -0.012,620 0.087,621 0.055,622 -0.058,623 0.061,624 -0.016,625 0.171,626 0.132,627 0.172,628 0.011,629 0.19,630 -0.044,631 -0.083,632 -0.035,633 -0.056,634 -0.044,635 -0.073,636 -0.011,637 -0.116,638 -0.15,639 -0.157,640 -0.002,641 -0.143,642 -0.074,643 -0.06,644 -0.06,645 -0.055,646 -0.075,647 -0.069,648 -0.003,649 0.028,650 -0.027,651 0.008,652 0.02,653 0.001,654 0.004,655 0.001,656 0.035,657 0.019,658 -0.022,659 0.016,660 0.066,661 0.02,662 0.068,663 0.039,664 0.035,665 0.048,666 1.729,667 7.812,668 0.651,669 56.787,670 0.982,671 1.127,672 4.838,673 23.409,674 0.637,675 3.912,676 4.419,677 4.852,678 5.236,679 5.587,680 5.855,681 6.153,682 6.447,683 6.695,684 6.912,685 7.986,686 0.578,687 607,688 3.912,689 5.572,690 6.532,691 7.53,692 8.523,693 9.534,694 10.545,695 11.567,696 12.59,697 13.62,698 2.1,701 1,707 1,715 4,720 2,722 6,739 1,741 97,743 8,744 1,745 49,747 103,748 37,749 6,750 2,751 4,756 7,757 26,763 6,764 5,766 5,767 9,768 3,770 10,772 8,773 29,774 4,777 2,782 1,785 1,786 2,793 54,794 5,795 1,796 6,797 1,802 2,808 0.286,809 3,811 1,826 1,828 1,829 5,830 1,832 1,833 3,834 2,841 1,855 1,857 1,859 2,860 1,862 1,864 8,868 43,875 1,876 9,878 1,879 1,880 7,881 1,882 5,893 3.1,894 1,896 1,898 1,901 23.25,902 19.517,903 8.931,904 6.397,907 1.206,908 1.119,909 0.901,910 7.014,911 11.354,912 4.007,913 4.58,914 5.08,915 5.525,916 5.932,917 6.134,918 6.418,919 6.723,920 6.998,921 7.255,922 0.9,923 99,924 16.275,926 7.499,927 0.026,929 7.432,931 32.81,933 31.1,936 1.932,937 83.083,941 623.868,942 177.787,943 19.91,945 78.828,947 32.22,948 145.567,949 702.697,950 19.91,951 72.231,952 20.747,953 80.588,954 31.4,955 39.339,957 656.088,959 623.868,960 165.477,961 78.828,962 32.22,964 529.7,965 130.314,966 42.683,968 93.608,969 71.869,971 32.22,972 623.868,973 98.738,974 177.787,977 623.868,978 67.651,979 113.26,981 95.614,982 623.868,983 98.738,984 177.787,986 0.622,987 0.397,988 0.216,989 0.118,990 48,991 22,992 0.058,993 6,994 5,995 1.357,996 4.697,997 524.788,998 0.357,999 28,1000 228.574,1001 1,1005 30.459,1006 9.902,1007 3.882,1009 98.738,1010 8.23,1015 2.063,1017 42.683,1018 900.393,1019 54,1024 14.812,1027 5.36,1028 1.878,1031 95.236,1032 109.34,1034 0.203,1035 0.477,1036 0.755,1037 0.868,1038 0.9,1039 0.9,1040 5.427,1041 2.365,1042 6.661,1043 8.226,1044 5.106,1045 5.268,1046 3.692,1047 7.774,1048 5.061,1049 6.694,1050 2.107,1051 8.431,1052 8.141,1053 5.293,1054 5.421,1055 2.938,1056 9.612,1057 5.261,1058 8.111,1059 1.937,1060 10.333,1061 6.461,1062 7.107,1063 7.382,1064 6.004,1065 12.876,1066 7.055,1067 9.567,1068 1.619,1069 12.319,1070 5.911,1071 8.09,1072 8.285,1073 5.709,1074 15.51,1075 8.054,1076 11.066,1077 1.523,1078 14.361,1079 4.775,1080 9.556,1081 9.865,1082 8.568,1083 18.509,1084 9.515,1085 12.594,1086 1.461,1087 16.441,1088 4.177,1089 10.821,1090 11.057,1091 8.552,1092 21.373,1093 10.791,1094 14.146,1095 1.373,1096 18.548,1097 4.063,1098 12.222,1099 12.527,1100 11.181,1101 24.332,1102 12.195,1103 4.273,1104 1.253,1105 20.675,1106 3.074,1107 13.583,1108 13.839,1109 11.39,1110 27.264,1111 13.563,1112 3.894,1113 20.02,1114 22.817,1115 2.976,1116 14.984,1117 15.275,1118 13.809,1119 30.225,1120 14.968,1121 3.486,1122 17.406,1123 24.971,1124 4.322,1125 16.381,1126 16.643,1127 14.2,1128 33.183,1129 16.37,1130 2.952,1131 14.502,1132 27.133,1133 3.898,1134 17.791,1135 18.071,1136 16.446,1137 36.151,1138 17.784,1139 2.791,1140 11.245,1141 29.302,1142 3.805,1143 19.205,1144 19.468,1145 16.984,1146 39.121,1147 19.202,1148 2.684,1149 9.432,1150 31.477,1151 3.585,1152 20.625,1153 20.896,1154 19.089,1155 42.096,1156 20.625,1157 2.412,1158 9.092,1159 33.656,1160 3.115,1161 22.048,1162 22.311,1163 19.749,1164 45.074,1165 22.051,1166 27327,1167 36877,1168 31.205,1169 61.819,1170 78.15,1171 83.205,1172 85.558,1173 77.266,1174 77.369,1175 84.047,1176 17.298,1177 271.703,1178 75.234,1179 6.286,1180 6.588,1181 8.841,1182 6.431,1183 6.273,1184 7.322,1185 7.376,1186 30.405,1187 6.279,1188 27.87,1189 1.595,1190 1.698,1191 1.746,1192 1.577,1193 1.579,1194 1.715,1195 0.353,1196 5.545,1197 1.535,1198 4.222,1199 4.249,1200 4.176,1201 4.161,1202 7.426,1203 4.154,1204 3.972,1205 4.009,1206 3.99,1207 3.892,1208 6.449,1209 3.883,1210 3.92,1211 3.948,1212 3.88,1213 3.849,1214 4.864,1215 3.842,1216 3.782,1217 3.823,1218 3.789,1219 3.708,1220 4.668,1221 3.68,1222 3.602,1223 3.67,1224 3.482,1225 3.469,1226 4.461,1227 3.455,1228 3.54,1229 3.603,1230 3.401,1231 3.397,1232 4.392,1233 3.388,1234 3.451,1235 3.519,1236 3.289,1237 3.306,1238 4.303,1239 3.291,1240 3.348,1241 3.408,1242 3.27,1243 3.196,1244 4.174,1245 3.178,1246 0.108,1247 0.094,1248 0.187,1249 0.108,1250 0.087,1251 5.286,1252 0.088,1253 4.588,1254 0.078,1255 9.146,1256 0.409,1257 5.274,1258 0.087,1259 4.273,1260 4.322,1261 3.828,1262 20.02,1263 4.279,1264 2.011,1265 1.981,1266 2.147,1267 2.107,1268 1.634,1269 2.126,1270 1.919,1271 1.891,1272 2.054,1273 2.036,1274 1.488,1275 2.045,1276 1.884,1277 1.853,1278 2.02,1279 1.988,1280 1.335,1281 2.004,1282 1.734,1283 1.687,1284 1.929,1285 1.89,1286 1.16,1287 1.905,1288 1.66,1289 1.604,1290 1.905,1291 1.816,1292 1.148,1293 1.852,1294 1.47,1295 1.401,1296 1.748,1297 1.678,1298 1.079,1299 1.699,1300 1.439,1301 1.378,1302 1.707,1303 1.636,1304 0.995,1305 1.668,1306 1.388,1307 1.323,1308 1.672,1309 1.561,1310 0.918,1311 1.609,1312 4.595,1313 1.946,1314 6.057,1315 4.394,1316 7.746,1317 6.735,1318 9.553,1319 8.98,1320 11.431,1322 18.121,1327 11.926,1328 9.086,1330 5.653,1331 1.999,1332 1.673,1333 2.377,1334 -0.093,1340 56.071,1341 129.923,1342 305.296,1343 483.094,1344 555.888,1345 576.152,1346 576.152,1347 110.128,1348 10.147,1349 62.13,1350 87.43,1351 38,1352 14.063,1353 3.17,1354 2.585,1355 58.223,1356 205,1357 223,1358 0.143,1359 336.005,1360 604.92,1361 811.611,1362 407929,1364 30.742,1365 0.715,1366 0.665,1367 31.095,1368 28.598,1369 20.287,1370 0.414,1371 0.368,1372 16.992,1373 19.396,1374 16.094,1375 13.262,1376 20.741,1377 18.015,1378 20.508,1379 0.25,1380 0.215,1381 21.039,1382 17.653,1383 19.025,1384 0.15,1385 0.128,1386 19.871,1387 16.265,1388 16.838,1389 0.09,1390 0.073,1391 17.601,1392 13.699,1393 14.157,1394 0.053,1395 0.042,1396 14.957,1397 11.267,1398 0.222,1399 129.602,1400 0.179,1401 37.19,1402 0.405,1403 262,1404 491.771,1405 296.06,1406 499.034,1407 699.05,1408 470,1409 343,1410 509.089,1411 377.185,1412 538.716,1413 813.07,1414 504,1415 8.222}
{0 CHEMBL1783529,1 1.516,2 11.333,3 3.539,4 12.524,5 129.97,6 6.633,8 4.436,9 4.561,10 3.9,11 3.938,12 5.36,13 3.898,14 5.131,15 5.323,16 4.464,17 4.485,18 6.316,19 4.432,20 5.533,21 5.718,22 4.705,23 4.873,24 6.501,25 4.777,26 5.897,27 6.143,28 4.728,29 5.061,30 6.687,31 4.913,32 6.036,33 6.318,34 4.646,35 5.02,36 6.889,37 4.856,38 5.901,39 6.191,40 4.462,41 4.832,42 6.825,43 4.66,44 5.715,45 6.019,46 4.256,47 4.604,48 6.656,49 4.44,50 5.441,51 5.725,52 4.14,53 4.406,54 6.339,55 4.264,56 0.042,57 1.309,58 18.719,59 8.592,60 23.89,61 11.253,62 0.926,63 2.645,64 40.19,65 15.54,66 168.838,67 21.011,68 0.937,69 3.189,70 58.312,71 23.698,72 137.641,73 32.852,74 0.693,75 3.937,76 84.227,77 31.803,78 135.234,79 45.548,80 1.435,81 4.003,82 100.8,83 32.635,84 241.697,85 47.41,86 1.446,87 3.498,88 88.846,89 27.938,90 241.19,91 40.596,92 1.477,93 3.006,94 75.388,95 22.793,96 240.172,97 32.508,98 0.777,99 2.496,100 56.168,101 17.822,102 137.265,103 25.366,104 127,105 73,106 0.237,107 0.46,108 0.729,109 0.827,110 0.864,111 0.864,112 3.617,113 1.005,114 -5.51,115 -5.38,116 -5.02,121 36.4,122 4,123 7,124 3,125 5,126 2,127 1,129 3,134 1,158 1,160 1,176 19,179 1,180 7,185 2,187 33,192 10,197 2,200 37,206 15,209 1,211 5,214 30,219 14,224 2,227 21,231 1,232 6,235 1,237 3,239 14,243 2,244 7,249 2,251 10,256 8,261 2,264 4,269 6,274 1,277 2,281 2022,282 22.634,283 22.634,284 22.634,285 22.634,286 22.634,287 22.324,288 25.21,289 11.661,290 23.163,291 20.045,292 20.045,293 20.045,294 20.045,295 20.045,296 19.45,297 33.713,298 5.31,299 20.988,300 4.75,301 3.323,302 1.608,303 0.981,304 0.744,305 0.744,306 4.309,313 894,314 5.523,315 22.91,317 52.993,318 217.129,319 54.716,321 85.678,322 266.493,323 182.854,325 1.926,326 65.439,329 0.5,330 0.67,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.82,337 80.5,338 408,339 5.286,340 4.519,341 9.146,342 5.274,343 4.273,344 4.322,345 3.903,346 20.02,347 4.28,348 4.895,349 4.456,350 8.655,351 4.891,352 3.894,353 3.9,354 2.178,355 17.406,356 3.884,357 4.56,358 3.915,359 7.866,360 4.483,361 3.505,362 3.696,363 1.563,364 14.506,365 3.452,366 4.334,367 3.631,368 7.116,369 4.105,370 3.268,371 3.391,372 0.8,373 11.674,374 2.808,375 3.874,376 3.246,377 7.043,378 3.848,379 2.873,380 2.874,381 0.403,382 11.202,383 2.694,384 3.571,385 3.024,386 6.635,387 3.415,388 2.407,389 2.668,391 9.322,392 2.43,393 3.398,394 2.665,395 6.113,396 3.365,397 2.384,398 2.4,400 8.116,401 2.323,402 3.162,403 2.516,404 5.525,405 3.035,406 2.092,407 2.183,409 6.262,410 1.964,411 3.083,412 2.364,413 5.371,414 2.952,415 1.99,416 2.084,418 6.061,419 1.908,420 2.75,421 2.085,422 5.113,423 2.54,424 1.603,425 1.734,427 4.687,428 1.528,429 2.587,430 1.875,431 4.792,432 2.445,433 1.546,434 1.56,436 4.52,437 1.408,438 2.532,439 1.647,440 4.598,441 2.375,442 1.378,443 1.509,445 4.118,446 1.286,447 1.994,448 1.268,449 4.222,450 1.913,451 0.948,452 0.97,454 2.348,455 0.909,456 1.917,457 1.153,458 4,459 1.789,460 0.843,461 0.878,463 2.269,464 0.791,465 1.276,466 0.599,467 3.964,468 1.158,469 0.192,470 0.2,472 0.571,473 0.183,474 16.657,475 0.463,476 1.847,477 0.051,478 26.5,479 0.736,480 3,481 0.083,482 23.5,483 0.653,484 64.689,485 1.797,486 43.943,487 0.571,488 20.285,489 0.563,490 3.41,491 0.095,492 13.174,493 0.366,494 0.272,495 0.18,496 0.264,498 3,501 0.599,502 1.158,503 0.836,504 1.281,505 0.598,506 1.156,507 0.498,508 0.741,509 0.73,510 0.91,511 0.367,512 0.883,513 0.403,514 0.842,515 0.942,516 1.23,517 0.434,518 1.233,519 0.483,520 0.888,521 0.944,522 1.235,523 0.443,524 1.22,525 0.814,526 0.8,527 0.963,528 0.996,529 0.819,530 1.018,531 0.831,532 0.833,533 0.949,534 0.973,535 0.847,536 0.995,537 1.05,538 0.875,539 0.961,540 0.837,541 1.16,542 0.87,543 0.936,544 1.02,545 0.945,546 1.016,547 0.957,548 0.992,549 14,550 0.327,551 10.222,552 7.25,553 5.219,554 3.001,555 1.597,556 1.109,557 0.787,558 0.51,559 16305,560 41051,561 2.01,562 53.2,563 19,564 11,567 1,568 2,569 7,570 1,572 1.778,573 1.756,574 3.415,575 -0.383,582 116.767,583 1.516,584 2.943,585 4.659,586 5.286,587 5.523,588 5.523,589 2.963,590 4.739,591 5.134,592 3.597,593 2266.14,594 9.052,595 32126,600 482.543,601 1.967,602 5.006,603 0.341,604 0.011,605 0.146,606 0.083,607 0.062,608 0.041,609 0.028,610 0.023,611 0.018,612 0.016,613 0.77,614 0.33,615 0.63,616 1.042,617 189.359,618 -0.019,619 -0.028,620 0.056,621 0.032,622 -0.059,623 0.057,624 0.257,625 0.341,626 0.208,627 0.252,628 0.32,629 0.227,630 0.16,631 0.103,632 -0.056,633 -0.051,634 0.093,635 -0.1,636 0.018,637 -0.104,638 -0.073,639 -0.169,640 0.017,641 -0.15,642 -0.052,643 -0.04,644 -0.032,645 -0.04,646 -0.052,647 -0.032,648 -0.018,649 -0.075,650 -0.006,651 -0.041,652 -0.015,653 -0.027,654 -0.05,655 0.03,656 0.027,657 0.081,658 -0.078,659 0.076,660 -0.048,661 -0.124,662 0.019,663 -0.058,664 -0.063,665 -0.015,666 5.809,667 7.322,668 0.611,669 36.861,670 1.004,671 1.148,672 4.275,673 18.279,674 0.613,675 3.738,676 4.304,677 4.727,678 5.124,679 5.493,680 5.79,681 6.091,682 6.387,683 6.631,684 6.839,685 6.536,686 0.577,687 510.71,688 3.738,689 5.434,690 6.405,691 7.427,692 8.432,693 9.461,694 10.481,695 11.516,696 12.545,697 13.584,698 2.6,701 1,707 1,741 77,743 2,745 41,747 82,748 28,756 6,757 25,763 5,764 5,766 5,767 9,768 3,769 1,770 10,772 2,773 26,774 3,777 2,782 1,785 1,786 2,791 3,793 41,794 8,795 1,796 8,802 2,808 0.167,809 3,811 1,826 1,828 1,829 4,830 1,832 1,833 3,834 2,841 1,855 1,857 1,858 1,859 1,864 6,866 3,868 36,875 1,876 8,878 1,880 6,881 1,882 6,892 3,893 3.9,894 1,896 1,898 1,901 20.5,902 15.362,903 7.125,904 5.021,907 0.385,908 1.04,909 0.88,910 5.037,911 9.964,912 3.784,913 4.369,914 4.828,915 5.247,916 5.638,917 5.945,918 6.25,919 6.571,920 6.848,921 7.093,922 0.875,923 87,924 14.231,926 7.309,927 0.026,929 7.954,931 26.552,933 25.824,936 2.454,937 88.333,941 470.844,942 92.135,943 19.91,945 78.828,946 44.88,948 92.135,949 549.672,950 64.79,951 52.094,952 22.334,953 42.683,954 35.093,955 75.79,957 470.844,958 7.76,959 470.844,960 112.045,961 123.708,964 376.675,965 175.194,966 42.683,968 85.304,969 26.741,972 515.724,973 98.738,974 92.135,977 478.604,978 32.282,979 55.218,981 140.494,982 470.844,983 143.618,984 92.135,986 0.644,987 0.4,988 0.21,989 0.118,990 45,991 21,992 0.024,993 2,994 5,995 1.455,996 4.044,997 423.614,998 0.455,999 22,1000 177.362,1005 25.324,1006 7.16,1007 2.836,1009 143.618,1017 42.683,1018 706.598,1019 43,1024 14.322,1027 4.089,1028 -0.737,1031 77.279,1032 88.363,1034 0.242,1035 0.47,1036 0.743,1037 0.843,1038 0.881,1039 0.881,1040 5.268,1041 2.092,1042 6.581,1043 8.116,1044 4.99,1045 5.056,1046 3.567,1047 7.734,1048 4.924,1049 6.569,1050 1.99,1051 8.384,1052 6.262,1053 5.323,1054 5.38,1055 4.09,1056 9.642,1057 5.233,1058 8.019,1059 1.603,1060 10.314,1061 6.061,1062 7.072,1063 7.18,1064 5.649,1065 12.89,1066 6.981,1067 9.501,1068 1.546,1069 12.32,1070 4.687,1071 8.123,1072 8.214,1073 6.839,1074 15.531,1075 8.032,1076 11.021,1077 1.378,1078 14.374,1079 4.52,1080 9.571,1081 9.697,1082 8.217,1083 18.523,1084 9.484,1085 12.566,1086 0.948,1087 16.461,1088 4.118,1089 10.856,1090 10.974,1091 9.546,1092 21.384,1093 10.78,1094 14.131,1095 0.843,1096 18.572,1097 2.348,1098 12.252,1099 12.39,1100 10.906,1101 24.339,1102 12.183,1103 4.273,1104 0.192,1105 20.699,1106 2.269,1107 13.616,1108 13.754,1109 12.261,1110 27.269,1111 13.558,1112 3.894,1113 20.02,1114 22.84,1115 0.571,1116 15.012,1117 15.163,1118 13.621,1119 30.228,1120 14.964,1121 3.505,1122 17.406,1123 24.992,1124 4.322,1125 16.407,1126 16.562,1127 14.981,1128 33.185,1129 16.368,1130 3.268,1131 14.506,1132 27.152,1133 3.9,1134 17.814,1135 17.979,1136 16.342,1137 36.152,1138 17.783,1139 2.873,1140 11.674,1141 29.318,1142 3.696,1143 19.225,1144 19.395,1145 17.704,1146 39.122,1147 19.202,1148 2.407,1149 11.202,1150 31.491,1151 3.391,1152 20.641,1153 20.82,1154 19.065,1155 42.097,1156 20.625,1157 2.384,1158 9.322,1159 33.667,1160 2.874,1161 22.062,1162 22.248,1163 20.427,1164 45.074,1165 22.052,1166 15571,1167 25071,1168 25.137,1169 47.177,1170 66.993,1171 68.558,1172 73.644,1173 66.657,1174 66.508,1175 68.848,1176 17.695,1177 246.498,1178 63.806,1179 6.286,1180 6.519,1181 8.311,1182 6.385,1183 6.273,1184 6.829,1185 5.413,1186 30.404,1187 6.28,1188 26.03,1189 1.634,1190 1.672,1191 1.796,1192 1.626,1193 1.622,1194 1.679,1195 0.432,1196 6.012,1197 1.556,1198 4.219,1199 4.246,1200 4.152,1201 4.154,1202 8.513,1203 4.149,1204 3.963,1205 4,1206 3.884,1207 3.87,1208 7.999,1209 3.866,1210 3.788,1211 3.829,1212 3.735,1213 3.63,1214 7.999,1215 3.643,1216 3.606,1217 3.68,1218 3.496,1219 3.417,1220 7.426,1221 3.417,1222 3.489,1223 3.539,1224 3.416,1225 3.325,1226 6.449,1227 3.322,1228 3.426,1229 3.487,1230 3.287,1231 3.19,1232 4.807,1233 3.22,1234 3.347,1235 3.408,1236 3.192,1237 3.167,1238 4.487,1239 3.169,1240 3.229,1241 3.32,1242 3.03,1243 3.027,1244 4.345,1245 3.015,1246 0.129,1247 0.11,1248 0.223,1249 0.129,1250 0.104,1251 5.286,1252 0.105,1253 4.519,1254 0.095,1255 9.146,1256 0.488,1257 5.274,1258 0.104,1259 4.273,1260 4.322,1261 3.903,1262 20.02,1263 4.28,1264 2.007,1265 1.977,1266 2.149,1267 2.116,1268 1.63,1269 2.127,1270 1.886,1271 1.85,1272 2.045,1273 2.018,1274 1.481,1275 2.027,1276 1.746,1277 1.694,1278 1.952,1279 1.928,1280 1.323,1281 1.938,1282 1.505,1283 1.449,1284 1.766,1285 1.724,1286 1.09,1287 1.731,1288 1.464,1289 1.398,1290 1.727,1291 1.698,1292 0.987,1293 1.698,1294 1.4,1295 1.337,1296 1.683,1297 1.607,1298 0.943,1299 1.631,1300 1.292,1301 1.242,1302 1.603,1303 1.539,1304 0.828,1305 1.532,1306 1.255,1307 1.194,1308 1.513,1309 1.499,1310 0.716,1311 1.522,1312 4.419,1313 1.946,1314 5.927,1315 4.394,1316 7.649,1317 6.735,1318 9.481,1319 8.98,1320 11.378,1322 12.889,1324 40.086,1327 11.399,1328 5.197,1330 5.272,1332 -0.318,1333 2.163,1334 -6.028,1340 44.4,1341 116.767,1342 226.646,1343 358.729,1344 406.994,1345 425.258,1346 425.258,1347 113.382,1348 9.58,1349 62.13,1350 62.13,1351 32,1352 14.023,1353 1.585,1354 1.585,1355 48.939,1356 141,1357 147,1358 0.181,1359 258.313,1360 480.1,1361 622.043,1362 188759,1363 3.9,1364 26.267,1365 0.73,1366 0.623,1367 23.767,1368 22.413,1369 16.583,1370 0.404,1371 0.335,1372 13.545,1373 15.865,1374 13.007,1375 10.584,1376 15.372,1377 13.74,1378 18.385,1379 0.252,1380 0.195,1381 16.427,1382 14.204,1383 16.155,1384 0.144,1385 0.115,1386 15.192,1387 12.86,1388 14.222,1389 0.085,1390 0.065,1391 13.65,1392 10.934,1393 12.138,1394 0.05,1395 0.037,1396 11.844,1397 8.973,1398 0.273,1399 104.966,1400 0.199,1401 31.631,1402 0.531,1403 228,1404 667.244,1405 256.68,1406 555.273,1407 732.85,1408 514,1409 302,1410 519.589,1411 327.146,1412 510.738,1413 794.65,1414 476,1415 5}
{0 CHEMBL1783530,1 1.375,2 11.333,3 3.515,4 12.352,5 138.176,6 6.058,8 4.49,9 4.623,10 3.886,11 4.006,12 5.346,13 3.944,14 5.175,15 5.379,16 4.417,17 4.549,18 5.968,19 4.475,20 5.599,21 5.791,22 4.695,23 4.923,24 6.488,25 4.82,26 5.951,27 6.203,28 4.72,29 5.102,30 6.704,31 4.944,32 6.052,33 6.333,34 4.63,35 5.077,36 6.834,37 4.895,38 5.962,39 6.26,40 4.433,41 4.926,42 6.772,43 4.724,44 5.78,45 6.088,46 4.237,47 4.739,48 6.57,49 4.531,50 5.596,51 5.906,52 4.1,53 4.573,54 6.299,55 4.373,56 0.077,57 1.242,58 21.36,59 9.209,60 14.646,61 12.73,62 0.331,63 2.265,64 42.016,65 16.598,66 36.894,67 23.337,68 0.693,69 3.355,70 64.92,71 25.223,72 91.73,73 35.365,74 0.795,75 4.025,76 88.827,77 32.659,78 91.14,79 47.521,80 1.026,81 4.097,82 97.692,83 33.964,84 133.953,85 49.64,86 1.14,87 3.616,88 88.645,89 30.262,90 158.166,91 44.458,92 0.963,93 3.084,94 73.772,95 25.437,96 133.073,97 37.224,98 0.616,99 2.604,100 60.918,101 21.123,102 78.66,103 31.192,104 127,105 73,106 0.212,107 0.426,108 0.698,109 0.818,110 0.852,111 0.852,112 3.617,113 1.051,114 -5.7,115 -5.56,116 -5.19,121 36.1,122 6,123 7,124 3,125 5,126 2,127 1,129 3,132 1,158 1,160 1,176 19,179 1,180 7,185 2,187 34,192 14,197 2,200 37,206 15,209 1,211 5,214 30,219 14,224 2,227 25,231 1,232 6,235 1,237 3,239 20,243 2,244 7,249 2,251 14,256 8,261 2,264 10,269 6,274 1,277 4,281 2022,282 22.634,283 22.634,284 22.634,285 22.634,286 22.634,287 22.324,288 26.369,289 11.661,290 22.984,291 20.045,292 20.045,293 20.045,294 20.045,295 20.045,296 19.45,297 36.003,298 5.31,299 20.629,300 5,301 3.613,302 1.845,303 1.064,304 0.844,305 0.844,306 4.309,313 894,314 5.523,315 22.91,317 52.993,318 217.129,319 54.716,321 85.678,322 266.493,323 182.854,325 1.926,326 51.178,329 0.5,330 0.67,331 0.83,332 0.7,333 1,334 0.83,335 1,336 0.79,337 77.5,338 408,339 5.286,340 4.457,341 9.146,342 5.274,343 4.273,344 4.322,345 2.178,346 20.02,347 4.28,348 4.895,349 4.019,350 8.655,351 4.892,352 3.894,353 3.9,354 1.98,355 17.406,356 3.884,357 4.56,358 3.909,359 7.866,360 4.487,361 3.505,362 3.696,363 0.8,364 14.506,365 3.455,366 4.334,367 3.605,368 7.116,369 4.205,370 3.268,371 3.391,372 0.641,373 11.674,374 3.025,375 3.874,376 3.233,377 7.043,378 3.848,379 2.873,380 2.874,381 0.382,382 11.202,383 2.806,384 3.571,385 3.022,386 6.635,387 3.416,388 2.407,389 2.668,391 9.322,392 2.436,393 3.398,394 2.562,395 6.113,396 3.365,397 2.384,398 2.4,400 8.116,401 2.324,402 3.162,403 2.47,404 5.525,405 3.036,406 2.092,407 2.183,409 6.262,410 1.971,411 3.083,412 2.36,413 5.371,414 2.959,415 1.99,416 2.084,418 6.061,419 1.92,420 2.75,421 2.08,422 5.113,423 2.544,424 1.603,425 1.734,427 4.687,428 1.532,429 2.587,430 1.871,431 4.792,432 2.474,433 1.546,434 1.56,436 4.52,437 1.416,438 2.532,439 1.643,440 4.598,441 2.389,442 1.378,443 1.509,445 4.118,446 1.36,447 1.994,448 1.267,449 4.222,450 1.913,451 0.948,452 0.97,454 2.348,455 0.909,456 1.917,457 1.149,458 4,459 1.789,460 0.843,461 0.878,463 2.269,464 0.791,465 1.276,466 0.599,467 3.964,468 1.159,469 0.192,470 0.2,472 0.571,473 0.184,474 17.086,475 0.475,476 1.847,477 0.051,478 26,479 0.722,480 3,481 0.083,482 23,483 0.639,484 67.932,485 1.887,486 43.514,487 0.524,488 17.042,489 0.473,490 2.949,491 0.082,492 13.635,493 0.379,494 0.29,495 0.176,496 0.258,497 1,501 0.684,502 1.305,503 0.968,504 1.296,505 0.681,506 1.195,507 0.785,508 0.992,509 0.815,510 0.932,511 0.613,512 0.882,513 0.982,514 1.227,515 1.157,516 1.273,517 1.038,518 1.244,519 0.818,520 1.019,521 1.073,522 1.161,523 0.669,524 1.155,525 1.025,526 0.95,527 1.042,528 1.045,529 1.083,530 1.049,531 0.973,532 0.886,533 0.988,534 0.958,535 1.049,536 0.977,537 0.948,538 0.923,539 0.953,540 0.934,541 1.14,542 0.946,543 0.848,544 0.918,545 0.888,546 0.919,547 0.877,548 0.912,549 14,550 0.327,551 10.222,552 7.25,553 5.219,554 3.001,555 1.597,556 1.109,557 0.787,558 0.51,559 16305,560 31199,561 2.01,562 56.6,563 19,564 11,567 1,568 2,569 13,570 1,572 1.778,573 1.756,574 3.415,575 -0.438,582 114.101,583 1.375,584 2.762,585 4.53,586 5.311,587 5.531,588 5.531,589 2.963,590 4.739,591 5.134,592 3.597,593 2266.14,594 9.052,595 32126,600 529.128,601 1.967,602 5.006,603 0.341,604 0.011,605 0.146,606 0.083,607 0.062,608 0.041,609 0.028,610 0.023,611 0.018,612 0.016,613 0.77,614 0.33,615 0.63,616 1.042,617 189.359,618 -0.006,619 -0.036,620 0.072,621 0.03,622 -0.072,623 0.056,624 0.025,625 0.17,626 0.209,627 0.237,628 0.054,629 0.25,630 0.01,631 0.015,632 -0.108,633 -0.085,634 -0.019,635 -0.108,636 -0.036,637 -0.074,638 -0.098,639 -0.11,640 -0.012,641 -0.112,642 -0.067,643 -0.057,644 -0.065,645 -0.065,646 -0.062,647 -0.065,648 -0.011,649 -0.029,650 -0.022,651 -0.014,653 -0.02,654 0.013,655 -0.003,656 0.01,657 0.012,658 -0.025,659 0.01,660 -0.012,661 -0.026,662 0.059,663 0.026,664 -0.027,665 0.048,666 2.809,667 7.421,668 0.611,669 36.861,670 0.988,671 1.139,672 4.467,673 19.953,674 0.612,675 3.738,676 4.304,677 4.727,678 5.124,679 5.493,680 5.79,681 6.091,682 6.387,683 6.631,684 6.839,685 6.536,686 0.562,687 502.79,688 3.738,689 5.434,690 6.405,691 7.427,692 8.432,693 9.461,694 10.481,695 11.516,696 12.545,697 13.584,698 2.4,701 1,707 1,741 83,743 2,745 41,747 88,748 30,756 6,757 25,763 6,764 5,765 1,766 5,767 9,768 3,770 10,772 2,773 28,774 4,777 2,782 1,785 1,786 2,791 1,793 47,794 6,795 1,796 6,802 2,808 0.167,809 3,811 1,826 1,828 1,829 4,830 1,832 1,833 3,834 2,841 1,855 1,857 1,858 1,859 1,864 8,866 1,868 36,875 1,876 8,878 1,880 6,881 1,882 6,892 1,893 3.6,894 1,896 1,898 1,901 20.5,902 17.076,903 7.125,904 5.45,907 0.385,908 1.04,909 0.876,910 5.102,911 9.964,912 3.784,913 4.369,914 4.828,915 5.247,916 5.638,917 5.945,918 6.25,919 6.571,920 6.848,921 7.093,922 0.875,923 87,924 13.758,926 6.59,927 0.026,929 7.62,931 27.259,933 26.456,936 2.12,937 76.333,941 541.471,942 102.026,943 19.91,945 78.828,946 14.96,948 102.026,949 620.299,950 34.87,951 69.744,952 22.334,953 42.683,954 35.093,955 30.91,956 14.96,957 541.471,959 541.471,960 121.936,961 93.788,964 391.635,965 200.94,966 42.683,968 95.195,969 26.741,972 556.431,973 98.738,974 102.026,977 541.471,978 32.282,979 72.868,981 110.574,982 541.471,983 113.698,984 102.026,986 0.644,987 0.4,988 0.21,989 0.118,990 45,991 21,992 0.034,993 3,994 5,995 1.455,996 4.044,997 423.614,998 0.455,999 22,1000 180.117,1005 25.447,1006 7.218,1007 2.864,1009 113.698,1017 42.683,1018 757.195,1019 43,1024 14.421,1027 4.839,1028 0.716,1031 82.021,1032 94.514,1034 0.216,1035 0.433,1036 0.711,1037 0.833,1038 0.868,1039 0.868,1040 5.268,1041 2.092,1042 6.581,1043 8.116,1044 4.99,1045 5.056,1046 2.868,1047 7.734,1048 4.946,1049 6.569,1050 1.99,1051 8.384,1052 6.262,1053 5.323,1054 5.38,1055 2.416,1056 9.642,1057 5.273,1058 8.019,1059 1.603,1060 10.314,1061 6.061,1062 7.072,1063 7.18,1064 3.94,1065 12.89,1066 7.013,1067 9.501,1068 1.546,1069 12.32,1070 4.687,1071 8.123,1072 8.214,1073 4.162,1074 15.531,1075 8.068,1076 11.021,1077 1.378,1078 14.374,1079 4.52,1080 9.571,1081 9.697,1082 5.257,1083 18.523,1084 9.514,1085 12.566,1086 0.948,1087 16.461,1088 4.118,1089 10.856,1090 10.974,1091 5.767,1092 21.384,1093 10.807,1094 14.131,1095 0.843,1096 18.572,1097 2.348,1098 12.252,1099 12.39,1100 6.674,1101 24.339,1102 12.205,1103 4.273,1104 0.192,1105 20.699,1106 2.269,1107 13.616,1108 13.754,1109 7.316,1110 27.269,1111 13.576,1112 3.894,1113 20.02,1114 22.84,1115 0.571,1116 15.012,1117 15.163,1118 8.14,1119 30.228,1120 14.978,1121 3.505,1122 17.406,1123 24.992,1124 4.322,1125 16.407,1126 16.562,1127 8.843,1128 33.185,1129 16.38,1130 3.268,1131 14.506,1132 27.152,1133 3.9,1134 17.814,1135 17.979,1136 9.632,1137 36.152,1138 17.792,1139 2.873,1140 11.674,1141 29.318,1142 3.696,1143 19.225,1144 19.395,1145 10.365,1146 39.122,1147 19.208,1148 2.407,1149 11.202,1150 31.491,1151 3.391,1152 20.641,1153 20.82,1154 11.139,1155 42.097,1156 20.63,1157 2.384,1158 9.322,1159 33.667,1160 2.874,1161 22.062,1162 22.248,1163 11.888,1164 45.074,1165 22.056,1166 15571,1167 21567,1168 25.137,1169 50.825,1170 66.993,1171 68.814,1172 73.644,1173 66.522,1174 66.508,1175 68.848,1176 11.961,1177 246.498,1178 64.696,1179 6.286,1180 6.457,1181 8.311,1182 6.385,1183 6.273,1184 6.829,1185 3.677,1186 30.404,1187 6.28,1188 26.03,1189 1.634,1190 1.678,1191 1.796,1192 1.622,1193 1.622,1194 1.679,1195 0.292,1196 6.012,1197 1.578,1198 4.22,1199 4.247,1200 4.153,1201 4.155,1202 8.189,1203 4.15,1204 3.964,1205 4.002,1206 3.883,1207 3.871,1208 7.426,1209 3.867,1210 3.812,1211 3.855,1212 3.739,1213 3.662,1214 6.449,1215 3.673,1216 3.633,1217 3.704,1218 3.509,1219 3.469,1220 4.833,1221 3.468,1222 3.559,1223 3.62,1224 3.429,1225 3.404,1226 4.489,1227 3.399,1228 3.454,1229 3.522,1230 3.294,1231 3.309,1232 4.348,1233 3.294,1234 3.352,1235 3.411,1236 3.193,1237 3.182,1238 4.191,1239 3.174,1240 3.233,1241 3.325,1242 3.033,1243 3.036,1244 4.006,1245 3.022,1246 0.129,1247 0.109,1248 0.223,1249 0.129,1250 0.104,1251 5.286,1252 0.105,1253 4.457,1254 0.053,1255 9.146,1256 0.488,1257 5.274,1258 0.104,1259 4.273,1260 4.322,1261 2.178,1262 20.02,1263 4.28,1264 2.009,1265 1.978,1266 2.151,1267 2.118,1268 1.63,1269 2.129,1270 1.89,1271 1.855,1272 2.048,1273 2.022,1274 1.481,1275 2.031,1276 1.749,1277 1.697,1278 1.954,1279 1.931,1280 1.323,1281 1.941,1282 1.642,1283 1.591,1284 1.866,1285 1.828,1286 1.095,1287 1.841,1288 1.481,1289 1.408,1290 1.762,1291 1.706,1292 1.031,1293 1.725,1294 1.446,1295 1.383,1296 1.723,1297 1.639,1298 0.97,1299 1.673,1300 1.384,1301 1.318,1302 1.679,1303 1.581,1304 0.943,1305 1.617,1306 1.275,1307 1.221,1308 1.603,1309 1.5,1310 0.824,1311 1.531,1312 4.419,1313 1.946,1314 5.927,1315 4.394,1316 7.649,1317 6.735,1318 9.481,1319 8.98,1320 11.378,1322 16.488,1324 14.695,1327 11.46,1328 6.922,1330 6.022,1332 0.73,1333 2.216,1334 -2.176,1340 46.687,1341 114.101,1342 229.27,1343 376.031,1344 440.825,1345 459.089,1346 459.089,1347 109.091,1348 9.58,1349 62.13,1350 62.13,1351 32,1352 14.023,1353 1.585,1354 1.585,1355 48.939,1356 141,1357 147,1358 0.181,1359 275.101,1360 502.56,1361 663.007,1362 188759,1363 1.2,1364 26.267,1365 0.73,1366 0.657,1367 25.345,1368 23.657,1369 16.583,1370 0.404,1371 0.35,1372 14.217,1373 16.042,1374 13.497,1375 11.063,1376 16.283,1377 14.362,1378 18.385,1379 0.252,1380 0.208,1381 17.326,1382 15.179,1383 16.155,1384 0.144,1385 0.117,1386 15.914,1387 13.126,1388 14.222,1389 0.085,1390 0.066,1391 14.074,1392 11.104,1393 12.138,1394 0.05,1395 0.038,1396 12.044,1397 9.115,1398 0.273,1399 103.466,1400 0.199,1401 31.631,1402 0.531,1403 228,1404 495.022,1405 244.658,1406 448.579,1407 613.09,1408 418,1409 302,1410 452.922,1411 319.582,1412 459.167,1413 697.81,1414 428,1415 6.128}
{0 CHEMBL1783531,1 1.637,2 12.476,3 4.832,4 23.346,5 139.58,6 7.358,8 4.524,9 4.643,10 4.055,11 4,12 5.544,13 3.987,14 5.233,15 5.413,16 4.671,17 4.542,18 6.69,19 4.524,20 5.637,21 5.813,22 4.953,23 4.917,24 7.005,25 4.868,26 5.999,27 6.23,28 5.056,29 5.097,30 7.41,31 4.99,32 6.067,33 6.34,34 4.792,35 5.072,36 6.946,37 4.929,38 5.999,39 6.282,40 4.648,41 4.917,42 7.007,43 4.779,44 5.826,45 6.112,46 4.582,47 4.727,48 6.895,49 4.615,50 5.68,51 5.956,52 4.417,53 4.556,54 6.804,55 4.471,56 0.253,57 1.691,58 18.036,59 9.435,60 62.432,61 11.314,62 1.811,63 3.593,64 43.033,65 17.025,66 353.215,67 21.24,68 2.206,69 4.729,70 62.814,71 25.689,72 425.097,73 32.818,74 4.291,75 5.314,76 98.38,77 32.893,78 658.726,79 46.309,80 2.49,81 4.134,82 106.281,83 33.966,84 411.977,85 49.526,86 3.038,87 3.93,88 103.999,89 30.491,90 492.173,91 43.18,92 2.547,93 3.707,94 88.159,95 25.765,96 412.878,97 35.696,98 2.671,99 3.394,100 78.336,101 21.706,102 452.257,103 27.945,104 239,105 85,106 0.252,107 0.476,108 0.729,109 0.818,110 0.852,111 0.852,112 3.766,113 0.957,114 -6.26,115 -6.1,116 -5.66,121 36.1,122 4,123 7,124 3,125 5,126 2,127 1,129 3,132 1,134 2,158 1,160 1,176 19,179 1,180 7,185 2,187 33,192 10,197 2,200 37,206 15,209 1,211 5,214 30,219 14,224 2,227 21,231 1,232 6,235 1,237 3,239 14,243 2,244 7,249 2,251 10,256 8,261 2,264 4,269 6,274 1,277 2,281 3018,282 25.76,283 25.76,284 25.76,285 25.76,286 25.76,287 25.45,288 29.242,289 13.108,290 26.553,291 22.946,292 22.946,293 22.946,294 22.946,295 22.946,296 22.364,297 37.99,298 5.929,299 24.414,300 4.738,301 3.287,302 1.645,303 1.064,304 0.844,305 0.844,306 4.45,313 1125,314 6.519,315 30.113,317 70.471,318 273.012,319 71.498,321 114.767,322 334.992,323 235.941,325 2.261,326 110.658,329 0.5,330 0.5,331 0.67,332 0.6,333 1,334 0.67,335 1,336 0.7,337 98.5,338 524,339 5.286,340 4.869,341 9.146,342 5.274,343 4.273,344 4.322,345 3.02,346 20.02,347 4.28,348 5.046,349 4.457,350 8.922,351 4.903,352 4.017,353 4.12,354 3.02,355 17.954,356 3.884,357 4.893,358 4.098,359 8.655,360 4.883,361 3.893,362 3.893,363 2.178,364 17.406,365 3.523,366 4.492,367 3.916,368 7.864,369 4.465,370 3.476,371 3.522,372 1.98,373 14.498,374 3.427,375 3.876,376 3.665,377 7.048,378 3.849,379 2.874,380 2.881,381 0.8,382 11.214,383 2.806,384 3.791,385 3.344,386 6.732,387 3.546,388 2.791,389 2.791,390 0.641,391 9.487,392 2.441,393 3.653,394 3.163,395 6.639,396 3.427,397 2.429,398 2.791,399 0.382,400 9.347,401 2.326,402 3.513,403 3.018,404 6.113,405 3.372,406 2.404,407 2.605,409 8.118,410 2.081,411 3.383,412 2.536,413 5.909,414 3.157,415 2.258,416 2.387,418 7.544,419 2.027,420 3.089,421 2.374,422 5.481,423 3.022,424 2.08,425 2.089,427 6.13,428 1.945,429 2.901,430 2.283,431 5.371,432 2.844,433 1.898,434 1.901,436 5.867,437 1.746,438 2.598,439 2.068,440 5.112,441 2.532,442 1.547,443 1.572,445 4.621,446 1.519,447 2.534,448 1.866,449 4.774,450 2.406,451 1.394,452 1.51,454 4.118,455 1.403,456 2.22,457 1.64,458 4.33,459 1.934,460 1.137,461 1.181,463 3.401,464 0.912,465 1.994,466 1.266,467 4.222,468 1.909,469 0.948,470 0.97,472 2.348,473 0.883,474 18.8,475 0.448,476 2.347,477 0.056,478 30.5,479 0.726,480 3,481 0.071,482 27.5,483 0.655,484 77.855,485 1.854,486 52.6,487 0.634,488 31.498,489 0.75,490 4.41,491 0.105,492 14.673,493 0.349,494 0.301,495 0.213,496 0.234,497 1,498 6,501 0.559,502 1.055,503 0.718,504 1.293,505 0.581,506 1.142,507 0.448,508 0.705,509 0.624,510 0.923,511 0.396,512 0.873,513 0.444,514 0.833,515 0.806,516 1.259,517 0.437,518 1.222,519 0.281,520 0.593,521 0.795,522 1.134,523 0.282,524 1.194,525 0.512,526 0.649,527 0.811,528 1.03,529 0.494,530 1.061,531 0.758,532 0.738,533 0.934,534 0.947,535 0.76,536 1.009,537 0.801,538 0.864,539 0.852,540 0.935,541 0.835,542 0.928,543 1.242,544 1.028,545 1.155,546 0.917,547 1.256,548 0.969,549 17,550 0.566,551 12.667,552 9.375,553 5.699,554 3.39,555 2.327,556 1.327,557 1.094,558 0.776,559 24627,560 77729,561 1.944,562 49.4,563 19,564 11,567 1,568 2,569 7,570 1,572 1.813,573 1.68,574 3.528,575 -0.337,582 135.856,583 1.637,584 3.088,585 4.73,586 5.311,587 5.531,588 5.531,589 3.081,590 4.833,591 5.361,592 3.792,593 3264.53,594 9.49,595 52586.4,600 529.128,601 1.955,602 5.206,603 0.362,604 0.014,605 0.154,606 0.089,607 0.054,608 0.04,609 0.033,610 0.02,611 0.02,612 0.016,613 0.802,614 0.33,615 0.63,616 1.14,617 233.27,618 -0.022,619 -0.016,620 0.034,621 0.03,622 -0.055,623 0.051,624 0.285,625 0.319,626 0.234,627 0.245,628 0.316,629 0.225,630 0.214,631 0.129,632 0.023,633 -0.078,634 0.218,635 -0.108,636 0.371,637 0.201,638 0.073,639 -0.093,640 0.323,641 -0.14,642 0.02,643 -0.066,644 0.045,645 -0.071,646 0.014,647 -0.023,648 -0.036,649 -0.044,650 -0.01,651 -0.017,652 -0.043,653 -0.008,654 -0.016,655 -0.097,656 0.095,657 -0.001,658 -0.032,659 0.07,660 -0.186,661 -0.022,662 -0.132,663 0.032,664 -0.183,665 -0.006,666 7.531,667 7.391,668 0.524,669 48.456,670 1.025,671 1.163,672 5.027,673 25.269,674 0.608,675 3.871,676 4.454,677 4.875,678 5.242,679 5.541,680 5.844,681 6.182,682 6.465,683 6.721,684 6.955,685 7.501,686 0.59,687 610.73,688 3.871,689 5.58,690 6.553,691 7.576,692 8.578,693 9.605,694 10.62,695 11.651,696 12.674,697 13.708,698 2.4,701 1,707 1,741 83,743 2,745 47,747 88,748 30,756 6,757 25,763 6,764 5,765 1,766 5,767 9,768 3,769 2,770 10,772 2,773 28,774 4,777 2,782 1,785 1,786 2,791 7,793 41,794 12,795 1,796 12,802 2,808 0.167,809 3,811 1,826 1,828 1,829 4,830 1,832 1,833 3,834 2,841 1,855 1,857 1,858 1,859 1,864 6,866 7,868 42,875 1,876 8,878 1,880 6,881 1,882 8,892 7,893 3.6,894 1,896 1,898 1,901 25,902 16.433,903 8.25,904 5.289,907 0.402,908 1.041,909 0.879,910 6.248,911 10.311,912 3.912,913 4.511,914 4.963,915 5.38,916 5.7,917 6.021,918 6.37,919 6.667,920 6.962,921 7.237,922 1,923 105,924 14.401,926 4.205,927 0.026,929 8.425,931 29.755,933 28.689,936 2.925,937 122.833,941 470.844,942 99.895,943 19.91,945 78.828,946 104.721,948 99.895,949 549.672,950 124.631,951 52.094,952 22.334,953 42.683,954 35.093,955 120.67,956 14.96,957 470.844,958 15.519,959 470.844,960 119.805,961 183.549,964 391.635,965 220.074,966 42.683,968 93.064,969 26.741,972 575.565,973 98.738,974 99.895,977 486.363,978 32.282,979 55.218,981 200.334,982 470.844,983 203.459,984 99.895,986 0.652,987 0.41,988 0.211,989 0.104,990 51,991 25,992 0.034,993 3,994 5,995 1.455,996 4.329,997 518.348,998 0.455,999 22,1000 204.968,1005 30.79,1006 8.523,1007 3.426,1009 203.459,1017 42.683,1018 774.198,1019 49,1024 14.391,1027 3.732,1028 -1.791,1031 85.097,1032 96.552,1034 0.257,1035 0.484,1036 0.742,1037 0.833,1038 0.868,1039 0.868,1040 5.412,1041 2.404,1042 6.749,1043 9.347,1044 5.142,1045 5.198,1046 3.806,1047 7.923,1048 5.043,1049 6.732,1050 2.258,1051 8.573,1052 8.118,1053 5.533,1054 5.58,1055 3.961,1056 9.878,1057 5.379,1058 8.194,1059 2.08,1060 10.526,1061 7.544,1062 7.258,1063 7.348,1064 5.475,1065 13.13,1066 7.103,1067 9.689,1068 1.898,1069 12.554,1070 6.13,1071 8.345,1072 8.419,1073 6.283,1074 15.789,1075 8.161,1076 11.221,1077 1.547,1078 14.629,1079 5.867,1080 9.791,1081 9.895,1082 7.471,1083 18.783,1084 9.6,1085 12.776,1086 1.394,1087 16.735,1088 4.621,1089 11.096,1090 11.194,1091 8.483,1092 21.642,1093 10.89,1094 14.351,1095 1.137,1096 18.862,1097 4.118,1098 12.495,1099 12.615,1100 9.598,1101 24.59,1102 12.283,1103 4.273,1104 0.948,1105 21.004,1106 3.401,1107 13.868,1108 13.992,1109 10.672,1110 27.51,1111 13.648,1112 4.017,1113 20.02,1114 23.158,1115 2.348,1116 15.268,1117 15.408,1118 11.774,1119 30.456,1120 15.043,1121 3.893,1122 17.954,1123 25.32,1124 4.322,1125 16.666,1126 16.815,1127 12.868,1128 33.4,1129 16.438,1130 3.476,1131 17.406,1132 27.489,1133 4.12,1134 18.072,1135 18.237,1136 13.97,1137 36.353,1138 17.844,1139 2.874,1140 14.498,1141 29.662,1142 3.893,1143 19.481,1144 19.658,1145 15.07,1146 39.308,1147 19.254,1148 2.791,1149 11.214,1150 31.84,1151 3.522,1152 20.895,1153 21.086,1154 16.173,1155 42.269,1156 20.67,1157 2.429,1158 9.487,1159 34.021,1160 2.881,1161 22.311,1162 22.515,1163 17.277,1164 45.233,1165 22.09,1166 23797,1167 43377,1168 27.909,1169 50.45,1170 77.493,1171 78.826,1172 85.634,1173 77.27,1174 76.966,1175 79.297,1176 24.041,1177 290.056,1178 72.414,1179 6.286,1180 6.869,1181 8.311,1182 6.386,1183 6.273,1184 6.839,1185 4.53,1186 30.404,1187 6.28,1188 33.825,1189 1.649,1190 1.677,1191 1.822,1192 1.644,1193 1.638,1194 1.687,1195 0.512,1196 6.171,1197 1.541,1198 4.22,1199 4.248,1200 4.155,1201 4.155,1202 8.536,1203 4.15,1204 3.967,1205 4.004,1206 3.907,1207 3.871,1208 8.499,1209 3.868,1210 3.845,1211 3.878,1212 3.823,1213 3.66,1214 8.175,1215 3.686,1216 3.673,1217 3.728,1218 3.607,1219 3.464,1220 7.999,1221 3.497,1222 3.58,1223 3.642,1224 3.449,1225 3.403,1226 7.999,1227 3.404,1228 3.457,1229 3.523,1230 3.309,1231 3.308,1232 7.999,1233 3.297,1234 3.353,1235 3.411,1236 3.216,1237 3.182,1238 7.999,1239 3.174,1240 3.235,1241 3.326,1242 3.197,1243 3.036,1244 7.426,1245 3.024,1246 0.112,1247 0.104,1248 0.195,1249 0.112,1250 0.091,1251 5.286,1252 0.092,1253 4.869,1254 0.064,1255 9.146,1256 0.426,1257 5.274,1258 0.091,1259 4.273,1260 4.322,1261 3.02,1262 20.02,1263 4.28,1264 2.008,1265 1.978,1266 2.15,1267 2.119,1268 1.63,1269 2.128,1270 1.889,1271 1.854,1272 2.046,1273 2.022,1274 1.481,1275 2.029,1276 1.747,1277 1.696,1278 1.952,1279 1.932,1280 1.323,1281 1.94,1282 1.582,1283 1.555,1284 1.767,1285 1.839,1286 1.091,1287 1.775,1288 1.476,1289 1.406,1290 1.729,1291 1.706,1292 0.991,1293 1.722,1294 1.437,1295 1.377,1296 1.686,1297 1.641,1298 0.943,1299 1.662,1300 1.378,1301 1.315,1302 1.603,1303 1.582,1304 0.835,1305 1.61,1306 1.274,1307 1.22,1308 1.559,1309 1.5,1310 0.748,1311 1.531,1312 4.554,1313 1.946,1314 6.075,1315 4.394,1316 7.808,1317 6.735,1318 9.645,1319 8.98,1320 11.543,1322 12.155,1324 95.729,1327 11.415,1328 2.886,1330 5.036,1332 -1.792,1333 2.082,1334 -21.01,1340 48.987,1341 135.856,1342 256.335,1343 392.56,1344 440.825,1345 459.089,1346 459.089,1347 161.896,1348 9.909,1349 62.13,1350 62.13,1351 32,1352 14.15,1353 1.585,1354 1.585,1355 61.65,1356 192,1357 178,1358 0.167,1359 282.29,1360 538.98,1361 680.548,1362 277853,1363 8.4,1364 31.267,1365 0.744,1366 0.593,1367 25.345,1368 24.925,1369 19.083,1370 0.406,1371 0.319,1372 14.699,1373 18,1374 14.223,1375 11.499,1376 16.283,1377 14.996,1378 21.721,1379 0.256,1380 0.181,1381 17.326,1382 15.36,1383 18.863,1384 0.145,1385 0.105,1386 15.914,1387 13.694,1388 16.309,1389 0.087,1390 0.06,1391 14.074,1392 11.37,1393 12.71,1394 0.05,1395 0.036,1396 12.044,1397 9.156,1398 0.256,1399 122.966,1400 0.189,1401 36.015,1402 0.478,1403 264,1404 1047.69,1405 314.692,1406 807.789,1407 1028.95,1408 742,1409 350,1410 700.922,1411 397.551,1412 665.603,1413 1056.01,1414 620,1415 5.522}
{0 CHEMBL1783532,1 1.275,2 11.278,3 3.663,4 13.419,5 145.405,6 5.722,8 4.525,9 4.669,10 3.878,11 4.045,12 5.331,13 3.967,14 5.206,15 5.426,16 4.384,17 4.589,18 5.875,19 4.495,20 5.619,21 5.822,22 4.681,23 4.972,24 6.364,25 4.851,26 5.994,27 6.258,28 4.74,29 5.164,30 6.704,31 4.995,32 6.113,33 6.398,34 4.641,35 5.163,36 6.84,37 4.962,38 6.064,39 6.38,40 4.435,41 5.027,42 6.778,43 4.797,44 5.855,45 6.171,46 4.226,47 4.834,48 6.528,49 4.597,50 5.677,51 6.001,52 4.08,53 4.658,54 6.29,55 4.429,56 0.111,57 1.257,58 22.889,59 9.363,60 13.392,61 13.583,62 0.315,63 2.248,64 43.426,65 16.833,66 20.098,67 24.781,68 0.41,69 3.333,70 65.731,71 25.85,72 40.745,73 37.771,74 0.739,75 4.284,76 91.404,77 33.768,78 73.747,79 50.398,80 0.879,81 4.379,82 100.366,83 36.405,84 104.385,85 53.921,86 1.005,87 3.911,88 92.927,89 33.317,90 128.032,91 49.662,92 0.728,93 3.205,94 74.939,95 27.636,96 89.556,97 41.039,98 0.515,99 2.707,100 62.363,101 22.695,102 59.541,103 34.133,104 127,105 72,106 0.194,107 0.403,108 0.692,109 0.82,110 0.852,111 0.852,112 3.617,113 1.087,114 -5.79,115 -5.65,116 -5.27,121 35.6,122 6,123 7,124 4,125 5,126 3,127 1,129 3,158 1,160 1,176 21,179 1,180 9,185 2,187 34,192 14,197 2,200 37,206 15,209 1,211 5,214 32,219 14,224 2,227 28,231 1,232 6,235 1,237 3,239 22,243 2,244 7,249 2,251 17,256 8,261 2,264 11,269 7,274 1,277 6,281 1998,282 22.869,283 22.869,284 22.869,285 22.869,286 22.869,287 22.57,288 28.327,289 11.897,290 23.132,291 20.032,292 20.032,293 20.032,294 20.032,295 20.032,296 19.427,297 40.218,298 5.403,299 20.453,300 5.168,301 3.801,302 1.909,303 1.07,304 0.86,305 0.86,306 4.31,312 1,313 890,314 5.292,315 22.676,317 52.75,318 215.889,319 54.21,321 85.191,322 264.938,323 181.545,325 1.864,326 37.417,329 0.75,330 0.5,331 1,332 0.8,333 1,334 1,335 1,336 0.86,337 75.5,338 406,339 5.286,340 4.457,341 9.146,342 5.274,343 4.273,344 4.322,345 2.178,346 20.021,347 4.28,348 4.896,349 3.918,350 8.655,351 4.892,352 3.895,353 3.899,354 1.461,355 17.407,356 3.885,357 4.543,358 3.696,359 7.874,360 4.496,361 3.507,362 3.635,363 0.8,364 14.57,365 3.471,366 4.026,367 3.369,368 7.051,369 3.858,370 2.887,371 3.184,372 0.588,373 11.229,374 2.811,375 3.868,376 3.14,377 6.65,378 3.774,379 2.817,380 2.872,381 0.065,382 9.617,383 2.691,384 3.554,385 3.015,386 6.309,387 3.406,388 2.406,389 2.648,391 9.027,392 2.423,393 3.391,394 2.531,395 6.111,396 3.356,397 2.363,398 2.392,400 8.115,401 2.321,402 3.09,403 2.367,404 5.503,405 3.03,406 2.086,407 2.091,409 6.178,410 1.962,411 3.021,412 2.231,413 5.371,414 2.951,415 1.986,416 2.021,418 6.041,419 1.915,420 2.79,421 2.019,422 5.113,423 2.743,424 1.779,425 1.788,427 4.896,428 1.706,429 2.602,430 1.828,431 4.943,432 2.517,433 1.523,434 1.577,436 4.547,437 1.51,438 2.499,439 1.567,440 4.552,441 2.371,442 1.357,443 1.463,445 3.809,446 1.369,447 2.143,448 1.26,449 4.158,450 1.921,451 0.954,452 1.034,454 2.45,455 0.918,456 1.981,457 1.145,458 4,459 1.872,460 0.91,461 0.959,463 2.318,464 0.872,465 1.402,466 0.609,467 3.964,468 1.279,469 0.299,470 0.317,472 0.902,473 0.293,474 17.367,475 0.482,476 1.736,477 0.048,478 26,479 0.722,480 3,481 0.083,482 23,483 0.639,484 69.237,485 1.923,486 43.233,487 0.497,488 15.718,489 0.437,490 2.804,491 0.078,492 13.89,493 0.386,494 0.298,495 0.144,496 0.305,501 0.81,502 1.487,503 1.067,504 1.312,505 0.804,506 1.227,507 0.876,508 0.949,509 0.889,510 0.894,511 0.604,512 0.883,513 0.991,514 1.348,515 1.157,516 1.289,517 0.978,518 1.244,519 1.001,520 1.138,521 1.129,522 1.156,523 0.901,524 1.147,525 1.313,526 1.086,527 1.114,528 1.103,529 1.439,530 1.098,531 1.131,532 0.892,533 0.973,534 0.923,535 1.288,536 0.938,537 0.954,538 0.948,539 0.95,540 0.966,541 1.186,542 0.966,543 0.904,544 0.902,545 0.883,546 0.89,547 0.95,548 0.888,549 13,550 0.322,551 10,552 7.437,553 5.371,554 2.942,555 1.652,556 1.109,557 0.772,558 0.49,559 16073,560 24975,561 2.017,562 58.6,563 25,564 14,567 1,568 3,569 7,570 1,572 1.779,573 1.763,574 3.419,575 -0.465,582 110.907,583 1.275,584 2.642,585 4.534,586 5.373,587 5.583,588 5.583,589 2.973,590 4.76,591 5.136,592 3.569,593 2248.29,594 9.058,595 31713.6,600 560.536,601 1.941,602 5.012,603 0.317,604 0.011,605 0.145,606 0.085,607 0.062,608 0.04,609 0.028,610 0.023,611 0.018,612 0.015,613 0.743,614 0.5,615 0.63,616 1.042,617 188.897,618 0.015,619 -0.093,620 0.082,621 0.019,622 -0.082,623 0.048,624 0.011,625 0.294,626 0.2,627 0.268,628 0.018,629 0.256,630 -0.046,631 -0.11,632 -0.065,633 -0.089,634 -0.052,635 -0.08,636 -0.032,637 -0.04,638 -0.096,639 -0.097,640 0.001,641 -0.098,642 -0.084,643 -0.1,644 -0.101,645 -0.102,646 -0.071,647 -0.103,648 0.022,649 0.018,650 -0.001,651 0.016,652 0.031,653 0.007,654 0.041,655 -0.036,656 0.006,657 -0.01,658 -0.001,659 -0.008,660 -0.004,661 0.012,662 0.064,663 0.052,664 -0.006,665 0.061,666 1.656,667 7.513,668 0.611,669 35.75,670 0.979,671 1.137,672 4.562,673 20.809,674 0.611,675 3.738,676 4.29,677 4.736,678 5.147,679 5.505,680 5.799,681 6.098,682 6.402,683 6.649,684 6.858,685 6.425,686 0.553,687 497.85,688 3.738,689 5.425,690 6.402,691 7.422,692 8.431,693 9.46,694 10.482,695 11.518,696 12.549,697 13.589,698 3.4,701 2,707 1,741 87,743 2,745 41,747 92,748 31,756 6,757 25,763 6,764 5,766 5,767 9,768 3,770 10,772 2,773 29,774 4,777 2,782 1,785 1,786 2,793 51,794 5,795 1,796 5,802 3,804 1,808 0.167,809 2,811 1,826 1,828 1,829 4,830 1,832 1,833 3,834 2,841 1,855 2,857 1,859 1,864 9,868 36,875 1,876 8,880 7,881 2,882 5,893 2.3,894 1,896 1,901 20.417,902 18.05,903 7.264,904 5.826,907 0.385,908 1.04,909 0.88,910 5.28,911 9.967,912 3.784,913 4.357,914 4.836,915 5.268,916 5.649,917 5.956,918 6.256,919 6.588,920 6.864,921 7.109,922 0.875,923 88,924 13.671,926 6.369,927 0.026,929 7.414,931 27.757,933 26.853,936 1.914,937 68.917,941 588.555,942 105.449,943 23.034,945 67.828,948 105.449,949 656.383,950 23.034,951 78.14,952 19.847,953 42.683,954 32.606,955 23.034,957 588.555,959 588.555,960 128.483,961 67.828,964 494.386,965 119.314,966 42.683,968 95.833,969 32.651,972 588.555,973 90.862,974 105.449,977 588.555,978 27.309,979 84.389,981 84.614,982 588.555,983 90.862,984 105.449,986 0.638,987 0.406,988 0.222,989 0.122,990 44,991 21,992 0.033,993 3,994 5,995 1.455,996 4.035,997 425.075,998 0.455,999 22,1000 180.117,1005 25.509,1006 7.451,1007 2.826,1009 90.862,1017 42.683,1018 784.867,1019 43,1024 14.513,1027 5.371,1028 1.824,1031 85.166,1032 98.879,1034 0.198,1035 0.41,1036 0.704,1037 0.834,1038 0.867,1039 0.867,1040 5.257,1041 2.086,1042 6.561,1043 8.115,1044 4.977,1045 5.043,1046 2.609,1047 7.71,1048 4.946,1049 6.544,1050 1.986,1051 8.359,1052 6.178,1053 5.263,1054 5.323,1055 2.292,1056 9.594,1057 5.233,1058 7.983,1059 1.779,1060 10.283,1061 6.041,1062 7.033,1063 7.144,1064 3.563,1065 12.864,1066 6.995,1067 9.458,1068 1.523,1069 12.285,1070 4.896,1071 8.065,1072 8.158,1073 3.873,1074 15.508,1075 8.036,1076 10.974,1077 1.357,1078 14.338,1079 4.547,1080 9.522,1081 9.648,1082 4.872,1083 18.509,1084 9.491,1085 12.518,1086 0.954,1087 16.426,1088 3.809,1089 10.807,1090 10.92,1091 5.438,1092 21.374,1093 10.784,1094 14.083,1095 0.91,1096 18.538,1097 2.45,1098 12.209,1099 12.341,1100 6.32,1101 24.334,1102 12.189,1103 4.273,1104 0.299,1105 20.669,1106 2.318,1107 13.578,1108 13.705,1109 7,1110 27.266,1111 13.563,1112 3.895,1113 20.021,1114 22.814,1115 0.902,1116 14.981,1117 15.118,1118 7.828,1119 30.227,1120 14.969,1121 3.507,1122 17.407,1123 24.969,1124 4.322,1125 16.381,1126 16.52,1127 8.56,1128 33.184,1129 16.373,1130 2.887,1131 14.57,1132 27.133,1133 3.899,1134 17.793,1135 17.94,1136 9.362,1137 36.152,1138 17.788,1139 2.817,1140 11.229,1141 29.302,1142 3.635,1143 19.207,1144 19.36,1145 10.119,1146 39.122,1147 19.206,1148 2.406,1149 9.617,1150 31.477,1151 3.184,1152 20.627,1153 20.789,1154 10.909,1155 42.097,1156 20.629,1157 2.363,1158 9.027,1159 33.657,1160 2.872,1161 22.051,1162 22.22,1163 11.677,1164 45.075,1165 22.056,1166 15358,1167 19148,1168 25.255,1169 53.2,1170 66.751,1171 68.204,1172 73.704,1173 66.185,1174 66.184,1175 68.508,1176 10.184,1177 242.561,1178 64.951,1179 6.286,1180 6.457,1181 8.311,1182 6.346,1183 6.273,1184 6.829,1185 3.677,1186 30.406,1187 6.28,1188 25.922,1189 1.628,1190 1.664,1191 1.798,1192 1.614,1193 1.614,1194 1.671,1195 0.248,1196 5.916,1197 1.584,1198 4.222,1199 4.252,1200 4.154,1201 4.157,1202 7.426,1203 4.152,1204 3.971,1205 4.014,1206 3.888,1207 3.877,1208 6.449,1209 3.873,1210 3.829,1211 3.883,1212 3.743,1213 3.693,1214 4.718,1215 3.698,1216 3.627,1217 3.703,1218 3.486,1219 3.473,1220 4.476,1221 3.463,1222 3.551,1223 3.615,1224 3.407,1225 3.406,1226 4.347,1227 3.397,1228 3.453,1229 3.522,1230 3.287,1231 3.309,1232 4.199,1233 3.294,1234 3.38,1235 3.45,1236 3.216,1237 3.198,1238 4.061,1239 3.191,1240 3.266,1241 3.355,1242 3.07,1243 3.068,1244 3.94,1245 3.055,1246 0.129,1247 0.109,1248 0.223,1249 0.129,1250 0.104,1251 5.286,1252 0.105,1253 4.457,1254 0.053,1255 9.146,1256 0.488,1257 5.274,1258 0.104,1259 4.273,1260 4.322,1261 2.178,1262 20.021,1263 4.28,1264 2.016,1265 1.982,1266 2.158,1267 2.13,1268 1.635,1269 2.14,1270 1.903,1271 1.864,1272 2.059,1273 2.031,1274 1.489,1275 2.042,1276 1.754,1277 1.701,1278 1.961,1279 1.935,1280 1.325,1281 1.947,1282 1.672,1283 1.613,1284 1.914,1285 1.835,1286 1.163,1287 1.865,1288 1.482,1289 1.409,1290 1.764,1291 1.706,1292 1.081,1293 1.726,1294 1.453,1295 1.388,1296 1.73,1297 1.659,1298 1.008,1299 1.69,1300 1.423,1301 1.347,1302 1.716,1303 1.625,1304 0.943,1305 1.661,1306 1.281,1307 1.226,1308 1.603,1309 1.504,1310 0.827,1311 1.534,1312 4.419,1313 1.946,1314 5.916,1315 4.394,1316 7.635,1317 6.735,1318 9.469,1319 8.98,1320 11.371,1322 20.628,1327 11.51,1328 8.376,1332 1.944,1333 4.686,1334 0.064,1340 48.137,1341 110.907,1342 229.814,1343 394.419,1344 467.477,1345 485.742,1346 485.742,1347 94.538,1348 9.581,1349 56.14,1350 56.14,1351 32,1352 14.027,1353 1.585,1354 1.585,1355 48.889,1356 139,1357 151,1358 0.183,1359 286.293,1360 516,1361 690.316,1362 188254,1364 26.215,1365 0.728,1366 0.678,1367 26.215,1368 24.395,1369 16.694,1370 0.407,1371 0.362,1372 14.742,1373 16.285,1374 13.941,1375 11.524,1376 16.694,1377 14.861,1378 17.873,1379 0.248,1380 0.215,1381 17.873,1382 15.482,1383 16.235,1384 0.144,1385 0.12,1386 16.235,1387 13.598,1388 14.755,1389 0.086,1390 0.069,1391 14.755,1392 11.835,1393 12.224,1394 0.05,1395 0.039,1396 12.224,1397 9.485,1398 0.276,1399 103.127,1400 0.199,1401 31.539,1402 0.543,1403 226,1404 382.821,1405 236.147,1406 376.097,1407 531.09,1408 352,1409 301,1410 405.599,1411 313.146,1412 421.776,1413 640.6,1414 393,1415 5}
{0 CHEMBL1783533,1 1.294,2 10.529,3 2.931,4 8.588,5 135.388,6 5.8,8 4.46,9 4.603,10 3.825,11 3.986,12 5.274,13 3.912,14 5.14,15 5.353,16 4.343,17 4.532,18 5.831,19 4.441,20 5.56,21 5.768,22 4.612,23 4.896,24 6.316,25 4.778,26 5.905,27 6.163,28 4.664,29 5.078,30 6.634,31 4.911,32 6.02,33 6.311,34 4.566,35 5.056,36 6.761,37 4.863,38 5.92,39 6.217,40 4.352,41 4.923,42 6.702,43 4.702,44 5.801,45 6.132,46 4.146,47 4.738,48 6.447,49 4.499,50 5.534,51 5.849,52 3.936,53 4.521,54 6.183,55 4.296,56 0.105,57 1.179,58 21.265,59 8.728,60 13.034,61 12.62,62 0.277,63 2.121,64 40.576,65 15.825,66 20.448,67 23.243,68 0.423,69 3.113,70 61.71,71 23.66,72 43.379,73 34.791,74 0.672,75 3.93,76 83.938,77 30.988,78 71.132,79 46.177,80 0.863,81 3.942,82 91.917,83 32.654,84 104.079,85 48.481,86 0.962,87 3.482,88 82.501,89 29.643,90 131.166,91 43.899,92 0.663,93 2.963,94 70.801,95 25.463,96 82.537,97 38.222,98 0.497,99 2.382,100 55.187,101 19.392,102 56.891,103 29.46,104 106,105 69,106 0.2,107 0.424,108 0.694,109 0.832,110 0.851,111 0.851,112 3.562,113 1.079,114 -5.41,115 -5.29,116 -4.94,121 35.8,122 6,123 7,124 4,125 4,126 2,129 3,132 1,158 1,160 1,176 19,180 7,183 1,185 4,187 31,192 10,197 7,200 33,206 14,209 1,211 7,214 32,219 7,224 5,227 28,231 2,232 6,235 1,237 4,239 20,244 6,247 1,249 4,251 15,256 5,261 4,264 8,269 3,272 1,274 3,277 8,281 1686,282 21.662,283 21.662,284 21.662,285 21.662,286 21.662,287 21.363,288 28.853,289 11.245,290 21.886,291 19.065,292 19.065,293 19.065,294 19.065,295 19.065,296 18.47,297 45.23,298 5.121,299 19.434,300 5.046,301 3.601,302 1.856,303 0.963,304 0.84,305 0.84,306 4.257,312 1,313 790,314 5.244,315 21.389,317 101.724,318 143.228,319 51.336,321 164.165,322 158.291,323 172.864,325 1.765,326 37.857,329 0.75,330 0.67,331 1,332 1,333 1,334 1,335 1,336 0.92,337 71.5,338 358,339 5.287,340 4.459,341 9.146,342 5.274,343 4.273,344 4.325,345 2.178,346 20.021,347 4.278,348 4.899,349 3.929,350 8.655,351 4.892,352 3.896,353 3.912,354 1.408,355 17.407,356 3.881,357 4.577,358 3.754,359 7.878,360 4.491,361 3.516,362 3.697,363 0.8,364 14.592,365 3.428,366 3.89,367 3.31,368 7.051,369 3.852,370 2.878,371 2.949,372 0.269,373 11.23,374 2.809,375 3.788,376 3.039,377 6.647,378 3.593,379 2.618,380 2.856,382 9.43,383 2.556,384 3.529,385 2.954,386 6.114,387 3.396,388 2.406,389 2.61,391 8.127,392 2.392,393 3.383,394 2.529,395 5.892,396 3.334,397 2.337,398 2.385,400 7.896,401 2.308,402 3.09,403 2.367,404 5.479,405 3.03,406 2.084,407 2.09,409 6.137,410 1.96,411 2.949,412 2.081,413 5.371,414 2.913,415 1.932,416 1.948,418 5.923,419 1.89,420 2.601,421 1.87,422 5.112,423 2.52,424 1.529,425 1.571,427 4.617,428 1.513,429 2.522,430 1.589,431 4.764,432 2.386,433 1.372,434 1.491,436 4.056,437 1.383,438 2.311,439 1.374,440 4.208,441 2.061,442 1.104,443 1.226,445 2.703,446 1.053,447 1.989,448 1.243,449 4,450 1.909,451 0.945,452 0.968,454 2.332,455 0.906,456 1.747,457 0.871,458 3.965,459 1.652,460 0.684,461 0.711,463 2.025,464 0.66,465 1.146,466 0.589,467 3.818,468 1.069,469 0.078,470 0.08,472 0.239,473 0.077,474 16.367,475 0.481,476 1.647,477 0.048,478 24.75,479 0.728,480 3,481 0.088,482 21.75,483 0.64,484 63.571,485 1.87,486 40.633,487 0.502,488 14.331,489 0.422,490 2.592,491 0.076,492 13.191,493 0.388,494 0.285,495 0.153,496 0.299,501 0.825,502 1.42,503 1.052,504 1.269,505 0.807,506 1.193,507 0.782,508 1.043,509 0.868,510 0.955,511 0.59,512 0.918,513 1.06,514 1.265,515 1.152,516 1.221,517 0.999,518 1.195,519 0.961,520 1.189,521 1.134,522 1.203,523 0.913,524 1.182,525 1.344,526 0.983,527 1.054,528 1.005,529 1.454,530 1.008,531 1.164,532 1.016,533 1.082,534 1.059,535 1.375,536 1.07,537 0.884,538 0.857,539 0.839,540 0.858,541 1.034,542 0.852,543 1.049,544 0.968,545 0.996,546 0.957,547 1.094,548 0.97,549 12.5,550 0.255,551 9.556,552 7.167,553 5.025,554 2.56,555 1.511,556 1.023,557 0.691,558 0.383,559 13724,560 21769,561 2.035,562 58,563 21,564 9,567 2,568 3,569 11,570 1,572 1.766,573 1.782,574 3.328,575 0.089,582 104.826,583 1.294,584 2.739,585 4.484,586 5.376,587 5.5,588 5.5,589 2.938,590 4.911,591 5.054,592 3.473,593 1948.25,594 8.9,595 26262.8,600 513.528,601 1.953,602 4.932,603 0.321,604 0.011,605 0.145,606 0.087,607 0.063,608 0.037,609 0.029,610 0.023,611 0.019,612 0.013,613 0.747,614 0.33,615 0.75,616 1.059,617 174.547,618 -0.009,619 -0.033,620 0.077,621 0.052,622 -0.089,623 0.067,624 0.043,625 0.197,626 0.205,627 0.219,628 0.031,629 0.226,630 -0.078,631 -0.041,632 -0.071,633 -0.053,634 -0.065,635 -0.059,636 -0.021,637 -0.095,638 -0.11,639 -0.139,640 -0.007,641 -0.131,642 -0.086,643 -0.02,644 -0.047,645 -0.026,646 -0.06,647 -0.031,648 0.032,649 -0.075,650 -0.091,651 -0.085,652 0.029,653 -0.099,654 0.045,655 0.016,656 0.097,657 0.066,658 0.02,659 0.082,660 -0.062,661 -0.033,662 -0.029,663 -0.013,664 -0.069,665 -0.018,666 1.659,667 7.399,668 0.618,669 31.422,670 0.98,671 1.136,672 4.179,673 17.461,674 0.613,675 3.689,676 4.248,677 4.7,678 5.118,679 5.476,680 5.762,681 6.068,682 6.372,683 6.608,684 6.817,685 6.053,686 0.557,687 469.79,688 3.689,689 5.38,690 6.361,691 7.386,692 8.4,693 9.432,694 10.46,695 11.497,696 12.533,697 13.574,698 3.7,700 1,701 1,707 1,741 81,743 2,745 39,747 86,748 29,756 6,757 25,763 6,764 4,766 4,767 9,768 4,770 10,772 2,773 27,774 5,777 2,782 1,785 1,786 2,793 47,794 5,795 2,796 5,802 3,804 1,808 0.167,809 2,811 1,826 1,828 2,829 3,830 1,832 2,833 2,834 2,841 1,853 1,855 1,857 1,859 1,864 8,868 34,875 1,876 7,877 1,880 7,881 1,882 5,893 2.5,894 1,896 1,901 19.083,902 16.6,903 6.819,904 5.481,907 0.373,908 1.039,909 0.881,910 4.692,911 9.812,912 3.738,913 4.317,914 4.804,915 5.252,916 5.624,917 5.916,918 6.234,919 6.565,920 6.833,921 7.074,922 1,923 82,924 12.923,926 6.097,927 0.026,929 7.439,931 26.159,933 25.551,936 1.939,937 65.917,941 529.7,942 94.947,943 37.921,945 67.828,948 94.947,949 597.528,950 37.921,951 69.744,952 17.742,953 60.694,954 32.606,955 19.91,957 529.7,959 529.7,960 132.868,961 67.828,964 388.446,965 166.398,966 42.683,968 108.614,969 24.254,972 529.7,973 105.749,974 94.947,977 529.7,978 25.203,979 72.868,980 18.011,981 84.614,982 529.7,983 105.749,984 94.947,986 0.639,987 0.407,988 0.221,989 0.126,990 43,991 20,992 0.035,993 3,994 5,995 1.476,996 3.919,997 395.963,998 0.476,999 21,1000 166.974,1005 23.622,1006 6.754,1007 2.518,1009 105.749,1017 60.694,1018 730.396,1019 41,1024 14.399,1027 5.37,1028 1.712,1031 79.399,1032 92.048,1034 0.204,1035 0.432,1036 0.707,1037 0.848,1038 0.868,1039 0.868,1040 5.215,1041 2.084,1042 6.524,1043 7.896,1044 4.934,1045 5.004,1046 2.56,1047 7.68,1048 4.905,1049 6.506,1050 1.932,1051 8.326,1052 6.137,1053 5.231,1054 5.293,1055 2.252,1056 9.579,1057 5.2,1058 7.95,1059 1.529,1060 10.255,1061 5.923,1062 7.002,1063 7.117,1064 3.539,1065 12.851,1066 6.962,1067 9.43,1068 1.372,1069 12.262,1070 4.617,1071 8.046,1072 8.144,1073 3.85,1074 15.503,1075 8.01,1076 10.952,1077 1.104,1078 14.319,1079 4.056,1080 9.505,1081 9.638,1082 4.856,1083 18.506,1084 9.466,1085 12.501,1086 0.945,1087 16.411,1088 2.703,1089 10.797,1090 10.92,1091 5.424,1092 21.373,1093 10.762,1094 14.07,1095 0.684,1096 18.527,1097 2.332,1098 12.201,1099 12.344,1100 6.311,1101 24.333,1102 12.168,1103 4.273,1104 0.078,1105 20.661,1106 2.025,1107 13.574,1108 13.715,1109 6.992,1110 27.266,1111 13.544,1112 3.896,1113 20.021,1114 22.808,1115 0.239,1116 14.978,1117 15.133,1118 7.823,1119 30.227,1120 14.951,1121 3.516,1122 17.407,1123 24.965,1124 4.325,1125 16.38,1126 16.539,1127 8.556,1128 33.185,1129 16.356,1130 2.878,1131 14.592,1132 27.129,1133 3.912,1134 17.793,1135 17.961,1136 9.36,1137 36.153,1138 17.772,1139 2.618,1140 11.23,1141 29.3,1142 3.697,1143 19.208,1144 19.384,1145 10.117,1146 39.123,1147 19.191,1148 2.406,1149 9.43,1150 31.476,1151 2.949,1152 20.629,1153 20.814,1154 10.908,1155 42.098,1156 20.614,1157 2.337,1158 8.127,1159 33.656,1160 2.856,1161 22.053,1162 22.246,1163 11.676,1164 45.075,1165 22.041,1166 13066,1167 16463,1168 24.156,1169 49.677,1170 63.879,1171 65.354,1172 70.239,1173 63.334,1174 63.325,1175 65.663,1176 9.311,1177 233.537,1178 62.214,1179 6.287,1180 6.459,1181 8.311,1182 6.32,1183 6.273,1184 6.805,1185 3.677,1186 30.407,1187 6.278,1188 23.669,1189 1.638,1190 1.676,1191 1.801,1192 1.624,1193 1.624,1194 1.684,1195 0.239,1196 5.988,1197 1.595,1198 4.221,1199 4.251,1200 4.155,1201 4.154,1202 7.426,1203 4.15,1204 3.97,1205 4.014,1206 3.891,1207 3.872,1208 6.449,1209 3.87,1210 3.811,1211 3.864,1212 3.726,1213 3.674,1214 4.778,1215 3.68,1216 3.617,1217 3.695,1218 3.472,1219 3.451,1220 4.471,1221 3.443,1222 3.522,1223 3.587,1224 3.373,1225 3.38,1226 4.337,1227 3.37,1228 3.456,1229 3.522,1230 3.289,1231 3.311,1232 4.184,1233 3.296,1234 3.33,1235 3.395,1236 3.167,1237 3.162,1238 4.049,1239 3.152,1240 3.233,1241 3.325,1242 3.025,1243 3.035,1244 3.859,1245 3.02,1246 0.136,1247 0.114,1248 0.235,1249 0.135,1250 0.11,1251 5.287,1252 0.111,1253 4.459,1254 0.056,1255 9.146,1256 0.513,1257 5.274,1258 0.11,1259 4.273,1260 4.325,1261 2.178,1262 20.021,1263 4.278,1264 1.989,1265 1.959,1266 2.132,1267 2.088,1268 1.614,1269 2.104,1270 1.846,1271 1.805,1272 2.02,1273 1.98,1274 1.455,1275 1.995,1276 1.737,1277 1.685,1278 1.945,1279 1.909,1280 1.318,1281 1.924,1282 1.695,1283 1.633,1284 1.934,1285 1.877,1286 1.146,1287 1.897,1288 1.482,1289 1.409,1290 1.763,1291 1.706,1292 1.085,1293 1.725,1294 1.446,1295 1.381,1296 1.725,1297 1.641,1298 0.943,1299 1.675,1300 1.324,1301 1.257,1302 1.634,1303 1.53,1304 0.873,1305 1.568,1306 1.268,1307 1.204,1308 1.603,1309 1.498,1310 0.824,1311 1.53,1312 4.369,1313 1.946,1314 5.872,1315 4.511,1316 7.591,1317 6.874,1318 9.424,1319 9.118,1320 11.326,1322 18.164,1327 11.456,1328 7.177,1329 3.795,1332 1.83,1333 2.245,1334 -0.23,1340 45.083,1341 104.826,1342 221.865,1343 363.185,1344 435.489,1345 445.489,1346 445.489,1347 87.926,1348 9.439,1349 64.93,1350 64.93,1351 31,1352 14.011,1353 1.585,1354 1.585,1355 44.94,1356 124,1357 133,1358 0.19,1359 267.109,1360 481.4,1361 643.505,1362 157655,1364 24.637,1365 0.725,1366 0.669,1367 24.637,1368 22.741,1369 15.783,1370 0.405,1371 0.36,1372 13.922,1373 15.414,1374 13.211,1375 10.882,1376 15.783,1377 14.025,1378 16.992,1379 0.246,1380 0.211,1381 16.992,1382 14.536,1383 15.562,1384 0.143,1385 0.119,1386 15.562,1387 12.924,1388 13.941,1389 0.084,1390 0.066,1391 13.941,1392 10.979,1393 11.925,1394 0.05,1395 0.038,1396 11.925,1397 9.13,1398 0.284,1399 97.385,1400 0.203,1401 29.979,1402 0.57,1403 216,1404 367.508,1405 226.452,1406 361.164,1407 512.35,1408 338,1409 289,1410 395.458,1411 300.674,1412 408.365,1413 622.8,1414 383,1415 5}
{0 CHEMBL1783534,1 1.247,2 11.229,3 3.864,4 14.927,5 142.822,6 5.793,8 4.477,9 4.616,10 3.841,11 4.027,12 5.295,13 3.947,14 5.152,15 5.361,16 4.347,17 4.569,18 5.839,19 4.472,20 5.576,21 5.779,22 4.636,23 4.943,24 6.333,25 4.82,26 5.927,27 6.182,28 4.68,29 5.123,30 6.656,31 4.949,32 6.046,33 6.336,34 4.58,35 5.095,36 6.783,37 4.895,38 5.935,39 6.235,40 4.365,41 4.942,42 6.701,43 4.72,44 5.774,45 6.092,46 4.162,47 4.76,48 6.459,49 4.527,50 5.579,51 5.895,52 4,53 4.593,54 6.213,55 4.366,56 0.101,57 1.176,58 21.521,59 9.22,60 13.163,61 13.105,62 0.243,63 2.128,64 40.818,65 16.6,66 19.752,67 24.04,68 0.386,69 3.167,70 62.416,71 25.351,72 42.331,73 36.462,74 0.618,75 4.071,76 85.241,77 33.475,78 71.899,79 48.724,80 0.816,81 4.151,82 93.858,83 34.948,84 104.172,85 50.944,86 0.889,87 3.621,88 83.168,89 30.882,90 125.941,91 45.106,92 0.616,93 3.045,94 69.388,95 26.26,96 87.121,97 38.503,98 0.46,99 2.559,100 57.124,101 21.623,102 57.526,103 31.917,104 106,105 70,106 0.192,107 0.436,108 0.701,109 0.828,110 0.846,111 0.854,112 3.59,113 1.082,114 -5.67,115 -5.54,116 -5.16,121 37.3,122 6,123 7,124 4,125 5,126 2,129 3,137 2,158 2,176 23,180 8,185 2,187 38,192 11,197 2,200 45,206 12,209 1,211 5,214 41,219 10,224 2,227 33,231 1,232 6,235 1,237 3,239 25,243 1,244 6,249 2,251 22,256 5,261 2,264 16,269 5,274 2,277 8,281 1867,282 22.369,283 22.369,284 22.369,285 22.369,286 22.369,287 21.94,288 27.994,289 11.663,290 22.54,291 19.538,292 19.538,293 19.538,294 19.538,295 19.538,296 18.711,297 37.762,298 5.295,299 19.806,300 5.128,301 3.538,302 1.811,303 0.988,304 0.868,305 0.82,306 4.285,312 1,313 865,314 5.244,315 21.797,317 50.184,318 208.52,319 52.123,321 81.038,322 255.971,323 174.647,325 1.861,326 37.059,329 0.75,330 0.67,331 1,332 1,333 1,334 1,335 1,336 0.92,337 73,338 393,339 5.287,340 4.459,341 9.146,342 5.274,343 4.273,344 4.324,345 2.178,346 20.02,347 4.28,348 4.896,349 3.927,350 8.655,351 4.892,352 3.894,353 3.907,354 0.986,355 17.406,356 3.885,357 4.544,358 3.722,359 7.865,360 4.48,361 3.486,362 3.675,363 0.8,364 14.501,365 3.468,366 3.948,367 3.286,368 7.049,369 3.851,370 2.876,371 3.127,373 11.216,374 2.809,375 3.864,376 3.09,377 6.639,378 3.666,379 2.685,380 2.872,382 9.364,383 2.635,384 3.555,385 3.017,386 6.114,387 3.405,388 2.406,389 2.65,391 8.183,392 2.423,393 3.392,394 2.534,395 5.933,396 3.356,397 2.362,398 2.394,400 8.099,401 2.321,402 3.09,403 2.368,404 5.475,405 3.03,406 2.085,407 2.091,409 6.134,410 1.961,411 3.001,412 2.095,413 5.371,414 2.919,415 1.936,416 2.001,418 5.886,419 1.897,420 2.732,421 1.891,422 5.112,423 2.539,424 1.547,425 1.673,427 4.621,428 1.533,429 2.602,430 1.622,431 4.772,432 2.425,433 1.405,434 1.575,436 4.118,437 1.426,438 2.462,439 1.409,440 4.222,441 2.247,442 1.255,443 1.405,445 2.977,446 1.242,447 2.145,448 1.248,449 4,450 1.914,451 0.948,452 0.993,454 2.347,455 0.91,456 1.981,457 0.984,458 3.965,459 1.817,460 0.837,461 0.951,463 2.256,464 0.818,465 1.372,466 0.593,467 3.859,468 1.179,469 0.184,470 0.205,472 0.545,473 0.183,474 16.967,475 0.485,476 1.647,477 0.047,478 26.25,479 0.75,480 4.5,481 0.129,482 21.75,483 0.621,484 64.792,485 1.851,486 41.233,487 0.497,488 15.945,489 0.456,490 2.867,491 0.082,492 13.416,493 0.383,494 0.275,495 0.147,496 0.289,501 0.78,502 1.347,503 1.053,504 1.237,505 0.799,506 1.178,507 0.807,508 0.986,509 0.884,510 0.927,511 0.602,512 0.906,513 1.005,514 1.244,515 1.143,516 1.218,517 0.978,518 1.194,519 0.902,520 1.191,521 1.127,522 1.208,523 0.903,524 1.186,525 1.371,526 1.001,527 1.059,528 1.013,529 1.453,530 1.015,531 1.254,532 0.966,533 1.05,534 0.992,535 1.396,536 1.008,537 1.008,538 0.903,539 0.918,540 0.91,541 1.156,542 0.913,543 0.985,544 0.898,545 0.93,546 0.895,547 1.031,548 0.908,549 12.5,550 0.285,551 9.778,552 7,553 5.099,554 2.772,555 1.536,556 1.018,557 0.71,558 0.454,559 15104,560 23705,561 2.034,562 57.8,563 25,564 11,567 1,568 3,569 7,570 1,572 1.772,573 1.787,574 3.4,575 -0.486,582 103.47,583 1.247,584 2.837,585 4.564,586 5.387,587 5.507,588 5.555,589 2.962,590 4.958,591 5.093,592 3.554,593 2114.5,594 8.974,595 29263.9,600 529.128,601 1.95,602 4.978,603 0.313,604 0.011,605 0.146,606 0.082,607 0.062,608 0.039,609 0.028,610 0.022,611 0.018,612 0.015,613 0.736,614 0.5,615 0.63,616 1.045,617 182.114,618 0.003,619 -0.013,620 0.076,621 0.055,622 -0.084,623 0.066,624 0.003,625 0.225,626 0.189,627 0.229,628 0.019,629 0.227,630 -0.057,631 -0.05,632 -0.065,633 -0.058,634 -0.055,635 -0.061,636 0.004,637 -0.116,638 -0.108,639 -0.148,640 -0.002,641 -0.136,642 -0.075,643 -0.038,644 -0.051,645 -0.039,646 -0.065,647 -0.043,648 0.015,649 -0.029,650 -0.057,651 -0.037,652 0.025,653 -0.052,654 0.019,655 0.006,656 0.039,657 0.03,658 0.008,659 0.034,660 -0.037,661 0.032,662 0.028,663 0.051,664 -0.042,665 0.045,666 1.656,667 7.441,668 0.629,669 34.811,670 0.978,671 1.132,672 4.441,673 19.719,674 0.62,675 3.714,676 4.263,677 4.71,678 5.112,679 5.481,680 5.768,681 6.073,682 6.366,683 6.605,684 6.808,685 6.347,686 0.561,687 480.81,688 3.714,689 5.398,690 6.375,691 7.393,692 8.403,693 9.431,694 10.455,695 11.49,696 12.523,697 13.562,698 2.4,701 1,707 1,741 83,743 3,745 40,747 88,748 31,752 3,756 6,757 25,763 6,764 5,766 5,767 9,768 3,770 10,772 4,773 27,774 4,777 3,782 1,784 2,785 1,786 2,793 48,794 4,795 1,796 4,802 2,808 0.167,809 2,811 1,826 1,828 1,829 4,830 1,832 1,833 3,834 2,839 1,841 1,849 2,855 1,857 1,859 1,864 8,868 35,875 1,876 7,880 7,881 1,882 5,893 2.4,894 1,896 1,901 19.583,902 17.017,903 7.069,904 5.629,907 0.742,908 1.078,909 0.883,910 4.943,911 10.255,912 3.784,913 4.357,914 4.86,915 5.303,916 5.717,917 6.023,918 6.344,919 6.676,920 6.981,921 7.246,922 0.875,923 85,924 13.291,926 6.228,927 0.026,929 7.426,931 26.941,933 26.177,936 1.926,937 67.417,941 553.242,942 114.328,943 19.91,945 67.828,948 114.328,949 621.07,950 19.91,951 69.744,952 17.742,953 61.636,954 33.035,955 19.91,957 553.242,959 553.242,960 134.238,961 67.828,964 459.073,965 119.314,966 42.683,968 90.603,969 24.683,970 18.952,972 553.242,973 87.738,974 114.328,977 553.242,978 25.632,979 91.821,981 84.614,982 553.242,983 87.738,984 114.328,986 0.637,987 0.405,988 0.217,989 0.122,990 43,991 20,992 0.034,993 3,994 5,995 1.455,996 4.005,997 408.091,998 0.455,999 22,1000 173.525,1005 24.355,1006 7.104,1007 2.672,1009 87.738,1017 42.683,1018 755.308,1019 43,1024 14.441,1026 4.814,1027 5.277,1028 1.797,1031 81.181,1032 93.965,1034 0.196,1035 0.445,1036 0.716,1037 0.845,1038 0.864,1039 0.871,1040 5.247,1041 2.085,1042 6.532,1043 8.099,1044 4.949,1045 5.043,1046 2.43,1047 7.682,1048 4.929,1049 6.535,1050 1.936,1051 8.331,1052 6.134,1053 5.231,1054 5.293,1055 2.085,1056 9.579,1057 5.213,1058 7.973,1059 1.547,1060 10.257,1061 5.886,1062 7.008,1063 7.157,1064 3.438,1065 12.848,1066 6.985,1067 9.448,1068 1.405,1069 12.262,1070 4.621,1071 8.043,1072 8.146,1073 3.753,1074 15.5,1075 8.026,1076 10.965,1077 1.255,1078 14.319,1079 4.118,1080 9.503,1081 9.664,1082 4.799,1083 18.502,1084 9.486,1085 12.509,1086 0.948,1087 16.41,1088 2.977,1089 10.791,1090 10.922,1091 5.38,1092 21.37,1093 10.779,1094 14.075,1095 0.837,1096 18.526,1097 2.347,1098 12.195,1099 12.357,1100 6.283,1101 24.33,1102 12.186,1103 4.273,1104 0.184,1105 20.659,1106 2.256,1107 13.566,1108 13.715,1109 6.973,1110 27.263,1111 13.56,1112 3.894,1113 20.02,1114 22.806,1115 0.545,1116 14.97,1117 15.136,1118 7.81,1119 30.224,1120 14.967,1121 3.486,1122 17.406,1123 24.963,1124 4.324,1125 16.372,1126 16.534,1127 8.548,1128 33.183,1129 16.372,1130 2.876,1131 14.501,1132 27.127,1133 3.907,1134 17.785,1135 17.958,1136 9.354,1137 36.151,1138 17.787,1139 2.685,1140 11.216,1141 29.298,1142 3.675,1143 19.2,1144 19.377,1145 10.114,1146 39.121,1147 19.205,1148 2.406,1149 9.364,1150 31.474,1151 3.127,1152 20.621,1153 20.807,1154 10.905,1155 42.096,1156 20.629,1157 2.362,1158 8.183,1159 33.654,1160 2.872,1161 22.045,1162 22.237,1163 11.675,1164 45.074,1165 22.055,1166 14380,1167 18017,1168 24.849,1169 51.433,1170 65.492,1171 66.326,1172 71.628,1173 64.474,1174 64.458,1175 67.79,1176 7.929,1177 235.65,1178 63.683,1179 6.287,1180 6.459,1181 8.311,1182 6.317,1183 6.273,1184 6.972,1185 3.677,1186 30.404,1187 6.28,1188 24.27,1189 1.637,1190 1.658,1191 1.791,1192 1.612,1193 1.611,1194 1.695,1195 0.198,1196 5.891,1197 1.592,1198 4.222,1199 4.25,1200 4.155,1201 4.16,1202 7.426,1203 4.155,1204 3.974,1205 4.012,1206 3.894,1207 3.89,1208 6.449,1209 3.886,1210 3.829,1211 3.874,1212 3.744,1213 3.727,1214 4.766,1215 3.725,1216 3.624,1217 3.701,1218 3.482,1219 3.467,1220 4.478,1221 3.458,1222 3.544,1223 3.607,1224 3.4,1225 3.404,1226 4.345,1227 3.394,1228 3.453,1229 3.521,1230 3.286,1231 3.309,1232 4.199,1233 3.294,1234 3.358,1235 3.416,1236 3.203,1237 3.201,1238 4.079,1239 3.192,1240 3.232,1241 3.325,1242 3.033,1243 3.051,1244 3.931,1245 3.029,1246 0.132,1247 0.111,1248 0.229,1249 0.132,1250 0.107,1251 5.287,1252 0.108,1253 4.459,1254 0.054,1255 9.146,1256 0.501,1257 5.274,1258 0.107,1259 4.273,1260 4.324,1261 2.178,1262 20.02,1263 4.28,1264 2.025,1265 1.993,1266 2.161,1267 2.124,1268 1.626,1269 2.138,1270 1.912,1271 1.878,1272 2.062,1273 2.027,1274 1.477,1275 2.04,1276 1.756,1277 1.705,1278 1.962,1279 1.933,1280 1.323,1281 1.946,1282 1.672,1283 1.617,1284 1.913,1285 1.825,1286 1.162,1287 1.859,1288 1.482,1289 1.409,1290 1.763,1291 1.706,1292 1.081,1293 1.725,1294 1.451,1295 1.388,1296 1.725,1297 1.64,1298 0.946,1299 1.674,1300 1.412,1301 1.346,1302 1.69,1303 1.581,1304 0.938,1305 1.622,1306 1.278,1307 1.225,1308 1.603,1309 1.501,1310 0.825,1311 1.531,1312 4.394,1313 1.946,1314 5.889,1315 4.394,1316 7.607,1317 6.735,1318 9.442,1319 8.98,1320 11.343,1322 18.271,1327 11.477,1328 7.23,1332 1.891,1333 2.249,1334 -0.031,1340 46.589,1341 103.47,1342 235.466,1343 378.785,1344 447.089,1345 457.089,1346 461.089,1347 90.801,1348 9.513,1349 52.9,1350 52.9,1351 32,1352 14,1353 2,1354 2,1355 46.937,1356 133,1357 153,1358 0.184,1359 276.572,1360 502.36,1361 666.595,1362 174855,1364 25.345,1365 0.724,1366 0.668,1367 25.345,1368 23.396,1369 16.283,1370 0.407,1371 0.361,1372 14.345,1373 15.971,1374 13.603,1375 11.222,1376 16.283,1377 14.431,1378 17.326,1379 0.248,1380 0.213,1381 17.326,1382 14.886,1383 15.914,1384 0.145,1385 0.12,1386 15.914,1387 13.246,1388 14.074,1389 0.085,1390 0.068,1391 14.074,1392 11.154,1393 12.044,1394 0.05,1395 0.038,1396 12.044,1397 9.199,1398 0.277,1399 100.004,1400 0.201,1401 30.866,1402 0.545,1403 220,1404 367.175,1405 228.01,1406 363.16,1407 514.23,1408 340,1409 293,1410 393.134,1411 301.982,1412 408.641,1413 621.25,1414 383,1415 7.602}
{0 CHEMBL1783535,1 1.236,2 11.229,3 3.887,4 15.107,5 141.653,6 5.68,8 4.498,9 4.64,10 3.844,11 4.041,12 5.289,13 3.957,14 5.183,15 5.397,16 4.352,17 4.587,18 5.841,19 4.485,20 5.611,21 5.819,22 4.642,23 4.964,24 6.339,25 4.836,26 5.966,27 6.225,28 4.688,29 5.15,30 6.666,31 4.97,32 6.099,33 6.395,34 4.589,35 5.129,36 6.803,37 4.921,38 5.986,39 6.293,40 4.373,41 4.974,42 6.719,43 4.744,44 5.808,45 6.128,46 4.17,47 4.783,48 6.476,49 4.546,50 5.611,51 5.927,52 4.01,53 4.618,54 6.232,55 4.388,56 0.106,57 1.206,58 22.276,59 9.51,60 12.106,61 13.552,62 0.251,63 2.186,64 42.28,65 17.191,66 17.444,67 24.932,68 0.405,69 3.26,70 64.806,71 26.173,72 38.554,73 37.796,74 0.641,75 4.183,76 88.192,77 34.509,78 67.965,79 50.386,80 0.836,81 4.283,82 97.451,83 36.281,84 99.54,85 53.105,86 0.906,87 3.722,88 86.057,89 31.93,90 120.168,91 46.822,92 0.633,93 3.088,94 70.818,95 26.686,96 82.977,97 39.22,98 0.474,99 2.599,100 58.327,101 22.016,102 55.318,103 32.536,104 106,105 70,106 0.189,107 0.393,108 0.681,109 0.82,110 0.853,111 0.853,112 3.59,113 1.105,114 -5.77,115 -5.63,116 -5.25,121 36.5,122 6,123 9,124 4,125 5,126 2,129 3,158 2,176 23,180 8,185 2,187 38,192 11,197 2,200 45,206 12,209 1,211 5,214 41,219 10,224 2,227 33,231 1,232 6,235 1,237 3,239 25,243 1,244 6,249 2,251 22,256 5,261 2,264 16,269 5,274 2,277 8,281 1867,282 22.369,283 22.369,284 22.369,285 22.369,286 22.369,287 22.045,288 25.72,289 11.663,290 22.54,291 19.538,292 19.538,293 19.538,294 19.538,295 19.538,296 18.917,297 33.956,298 5.295,299 19.806,300 5.174,301 3.847,302 1.969,303 1.062,304 0.848,305 0.848,306 4.285,312 1,313 865,314 5.244,315 21.797,317 50.184,318 208.52,319 52.123,321 81.038,322 255.971,323 174.647,325 1.861,326 36.144,329 0.75,330 0.5,331 1,332 0.8,333 1,334 1,335 1,336 0.86,337 73,338 393,339 5.286,340 4.457,341 9.146,342 5.274,343 4.273,344 4.322,345 2.178,346 20.02,347 4.28,348 4.895,349 3.915,350 8.655,351 4.892,352 3.894,353 3.897,354 1.583,355 17.406,356 3.885,357 4.514,358 3.651,359 7.865,360 4.48,361 3.486,362 3.585,363 0.8,364 14.501,365 3.468,366 3.935,367 3.32,368 7.049,369 3.851,370 2.876,371 3.114,372 0.147,373 11.216,374 2.809,375 3.863,376 3.126,377 6.639,378 3.666,379 2.685,380 2.872,382 9.364,383 2.635,384 3.554,385 3.014,386 6.114,387 3.405,388 2.406,389 2.647,391 8.183,392 2.423,393 3.391,394 2.531,395 5.933,396 3.356,397 2.362,398 2.392,400 8.099,401 2.321,402 3.09,403 2.367,404 5.475,405 3.03,406 2.085,407 2.091,409 6.134,410 1.961,411 2.955,412 2.084,413 5.371,414 2.919,415 1.936,416 1.954,418 5.886,419 1.897,420 2.603,421 1.863,422 5.112,423 2.539,424 1.547,425 1.578,427 4.621,428 1.533,429 2.535,430 1.585,431 4.772,432 2.425,433 1.405,434 1.511,436 4.118,437 1.426,438 2.394,439 1.521,440 4.222,441 2.247,442 1.255,443 1.345,445 2.977,446 1.242,447 1.994,448 1.246,449 4,450 1.914,451 0.948,452 0.97,454 2.347,455 0.91,456 1.917,457 0.987,458 3.965,459 1.817,460 0.837,461 0.875,463 2.256,464 0.818,465 1.273,466 0.595,467 3.859,468 1.179,469 0.184,470 0.192,472 0.545,473 0.183,474 16.967,475 0.485,476 1.647,477 0.047,478 24.75,479 0.707,480 3,481 0.086,482 21.75,483 0.621,484 67.716,485 1.935,486 41.833,487 0.492,488 13.022,489 0.372,490 2.335,491 0.067,492 13.948,493 0.399,494 0.275,495 0.147,496 0.289,501 0.784,502 1.378,503 1.079,504 1.269,505 0.794,506 1.208,507 0.803,508 1.009,509 0.902,510 0.953,511 0.597,512 0.931,513 1.012,514 1.259,515 1.161,516 1.233,517 0.975,518 1.21,519 0.902,520 1.203,521 1.139,522 1.22,523 0.885,524 1.198,525 1.327,526 0.998,527 1.046,528 1.009,529 1.403,530 1.009,531 1.214,532 0.955,533 1.029,534 0.979,535 1.364,536 0.993,537 1.041,538 0.906,539 0.925,540 0.912,541 1.221,542 0.915,543 1.033,544 0.915,545 0.952,546 0.913,547 1.099,548 0.927,549 12.5,550 0.285,551 9.778,552 7,553 5.099,554 2.772,555 1.536,556 1.018,557 0.71,558 0.454,559 15104,560 22660,561 2.034,562 58.8,563 27,564 9,567 1,568 5,569 7,570 1,572 1.772,573 1.787,574 3.4,575 -0.486,582 105.025,583 1.236,584 2.562,585 4.44,586 5.347,587 5.562,588 5.562,589 2.962,590 4.958,591 5.093,592 3.554,593 2114.5,594 8.974,595 29263.9,600 544.798,601 1.95,602 4.978,603 0.313,604 0.011,605 0.146,606 0.082,607 0.062,608 0.039,609 0.028,610 0.022,611 0.018,612 0.015,613 0.736,614 0.5,615 0.63,616 1.045,617 182.114,618 0.005,619 -0.012,620 0.077,621 0.056,622 -0.08,623 0.068,624 0.006,625 0.217,626 0.185,627 0.222,628 0.014,629 0.22,630 -0.058,631 -0.048,632 -0.066,633 -0.057,634 -0.056,635 -0.061,636 0.002,637 -0.117,638 -0.112,639 -0.151,640 0.004,641 -0.14,642 -0.065,643 -0.037,644 -0.043,645 -0.036,646 -0.048,647 -0.038,648 0.023,649 -0.023,650 -0.043,651 -0.029,652 0.028,653 -0.04,654 0.013,655 0.004,656 0.032,657 0.027,658 -0.006,659 0.029,660 -0.047,661 0.02,662 0.01,663 0.036,664 -0.049,665 0.028,666 1.645,667 7.459,668 0.629,669 34.811,670 0.977,671 1.134,672 4.537,673 20.588,674 0.614,675 3.714,676 4.263,677 4.71,678 5.112,679 5.481,680 5.768,681 6.073,682 6.366,683 6.605,684 6.808,685 6.347,686 0.554,687 482.83,688 3.714,689 5.398,690 6.375,691 7.393,692 8.403,693 9.431,694 10.455,695 11.49,696 12.523,697 13.562,698 2.4,701 1,707 1,741 85,743 2,745 40,747 90,748 31,756 6,757 25,763 6,764 5,766 5,767 11,768 3,770 12,772 2,773 29,774 4,777 2,782 1,785 1,786 2,793 50,794 4,795 1,796 4,802 2,808 0.167,809 2,811 1,826 1,828 1,829 4,830 1,832 1,833 3,834 2,839 1,841 1,855 1,857 1,859 1,864 8,868 35,875 1,876 9,880 7,881 1,882 5,893 2.4,894 1,896 1,901 19.583,902 17.35,903 7.069,904 5.851,907 0.38,908 1.04,909 0.881,910 5.076,911 9.893,912 3.761,913 4.331,914 4.804,915 5.231,916 5.62,917 5.916,918 6.227,919 6.544,920 6.815,921 7.05,922 0.875,923 85,924 13.31,926 6.23,927 0.026,929 7.398,931 27.16,933 26.527,936 1.898,937 66.417,941 576.784,942 100.445,943 19.91,945 67.828,948 100.445,949 644.612,950 19.91,951 69.744,952 22.811,953 42.683,954 33.035,955 19.91,957 576.784,959 576.784,960 120.355,961 67.828,964 482.615,965 119.314,966 42.683,968 95.672,969 24.683,972 576.784,973 87.738,974 100.445,977 576.784,978 30.701,979 72.868,981 84.614,982 576.784,983 87.738,984 100.445,986 0.637,987 0.405,988 0.217,989 0.122,990 43,991 20,992 0.033,993 3,994 5,995 1.455,996 4.005,997 408.091,998 0.455,999 22,1000 173.525,1005 24.6,1006 7.222,1007 2.725,1009 87.738,1017 42.683,1018 764.967,1019 42,1024 14.459,1027 5.364,1028 2.002,1031 83.065,1032 96.38,1034 0.193,1035 0.4,1036 0.693,1037 0.834,1038 0.868,1039 0.868,1040 5.231,1041 2.085,1042 6.532,1043 8.099,1044 4.949,1045 5.017,1046 2.603,1047 7.682,1048 4.929,1049 6.516,1050 1.936,1051 8.331,1052 6.134,1053 5.231,1054 5.293,1055 2.355,1056 9.579,1057 5.213,1058 7.957,1059 1.547,1060 10.257,1061 5.886,1062 7.008,1063 7.119,1064 3.609,1065 12.848,1066 6.985,1067 9.433,1068 1.405,1069 12.262,1070 4.621,1071 8.043,1072 8.132,1073 3.935,1074 15.5,1075 8.026,1076 10.951,1077 1.255,1078 14.319,1079 4.118,1080 9.503,1081 9.623,1082 4.918,1083 18.502,1084 9.486,1085 12.497,1086 0.948,1087 16.41,1088 2.977,1089 10.791,1090 10.895,1091 5.482,1092 21.37,1093 10.779,1094 14.063,1095 0.837,1096 18.526,1097 2.347,1098 12.195,1099 12.317,1100 6.354,1101 24.33,1102 12.186,1103 4.273,1104 0.184,1105 20.659,1106 2.256,1107 13.566,1108 13.682,1109 7.029,1110 27.263,1111 13.56,1112 3.894,1113 20.02,1114 22.806,1115 0.545,1116 14.97,1117 15.096,1118 7.85,1119 30.224,1120 14.967,1121 3.486,1122 17.406,1123 24.963,1124 4.322,1125 16.372,1126 16.499,1127 8.578,1128 33.183,1129 16.372,1130 2.876,1131 14.501,1132 27.127,1133 3.897,1134 17.785,1135 17.921,1136 9.376,1137 36.151,1138 17.787,1139 2.685,1140 11.216,1141 29.298,1142 3.585,1143 19.2,1144 19.342,1145 10.129,1146 39.121,1147 19.205,1148 2.406,1149 9.364,1150 31.474,1151 3.114,1152 20.621,1153 20.772,1154 10.917,1155 42.096,1156 20.629,1157 2.362,1158 8.183,1159 33.654,1160 2.872,1161 22.045,1162 22.204,1163 11.683,1164 45.074,1165 22.055,1166 14380,1167 17617,1168 24.849,1169 52.194,1170 64.908,1171 66.387,1172 71.628,1173 64.474,1174 64.458,1175 66.792,1176 9.417,1177 235.65,1178 63.683,1179 6.286,1180 6.457,1181 8.311,1182 6.317,1183 6.273,1184 6.819,1185 3.677,1186 30.404,1187 6.28,1188 24.27,1189 1.623,1190 1.66,1191 1.791,1192 1.612,1193 1.611,1194 1.67,1195 0.235,1196 5.891,1197 1.592,1198 4.222,1199 4.251,1200 4.154,1201 4.159,1202 7.426,1203 4.154,1204 3.973,1205 4.013,1206 3.887,1207 3.885,1208 6.449,1209 3.88,1210 3.831,1211 3.88,1212 3.738,1213 3.722,1214 4.688,1215 3.718,1216 3.627,1217 3.703,1218 3.485,1219 3.474,1220 4.472,1221 3.464,1222 3.551,1223 3.615,1224 3.407,1225 3.407,1226 4.346,1227 3.398,1228 3.453,1229 3.522,1230 3.287,1231 3.309,1232 4.199,1233 3.294,1234 3.366,1235 3.427,1236 3.202,1237 3.203,1238 4.046,1239 3.192,1240 3.233,1241 3.326,1242 3.034,1243 3.057,1244 3.884,1245 3.033,1246 0.132,1247 0.111,1248 0.229,1249 0.132,1250 0.107,1251 5.286,1252 0.108,1253 4.457,1254 0.054,1255 9.146,1256 0.501,1257 5.274,1258 0.107,1259 4.273,1260 4.322,1261 2.178,1262 20.02,1263 4.28,1264 2.025,1265 1.991,1266 2.171,1267 2.13,1268 1.643,1269 2.146,1270 1.913,1271 1.877,1272 2.07,1273 2.031,1274 1.501,1275 2.045,1276 1.757,1277 1.705,1278 1.965,1279 1.935,1280 1.331,1281 1.948,1282 1.679,1283 1.624,1284 1.918,1285 1.833,1286 1.213,1287 1.865,1288 1.483,1289 1.409,1290 1.766,1291 1.706,1292 1.082,1293 1.726,1294 1.456,1295 1.391,1296 1.735,1297 1.645,1298 1.034,1299 1.681,1300 1.426,1301 1.355,1302 1.718,1303 1.609,1304 0.943,1305 1.652,1306 1.279,1307 1.226,1308 1.603,1309 1.501,1310 0.829,1311 1.531,1312 4.394,1313 1.946,1314 5.889,1315 4.394,1316 7.607,1317 6.735,1318 9.442,1319 8.98,1320 11.343,1322 18.506,1327 11.487,1328 9.868,1332 2.207,1333 2.256,1334 0.267,1340 47.116,1341 105.025,1342 217.761,1343 377.417,1344 454.494,1345 472.759,1346 472.759,1347 90.744,1348 9.513,1349 52.9,1350 52.9,1351 32,1352 14,1353 1.585,1354 1.585,1355 46.937,1356 133,1357 153,1358 0.184,1359 279.499,1360 505,1361 673.738,1362 174855,1364 25.345,1365 0.724,1366 0.676,1367 25.345,1368 23.655,1369 16.283,1370 0.407,1371 0.368,1372 14.641,1373 15.971,1374 13.892,1375 11.444,1376 16.283,1377 14.728,1378 17.326,1379 0.248,1380 0.218,1381 17.326,1382 15.259,1383 15.914,1384 0.145,1385 0.125,1386 15.914,1387 13.733,1388 14.074,1389 0.085,1390 0.07,1391 14.074,1392 11.62,1393 12.044,1394 0.05,1395 0.04,1396 12.044,1397 9.628,1398 0.277,1399 100.004,1400 0.201,1401 30.866,1402 0.545,1403 220,1404 357.175,1405 228.01,1406 352.215,1407 498.37,1408 330,1409 293,1410 380.134,1411 301.982,1412 394.702,1413 600.81,1414 370,1415 6.209}
{0 CHEMBL1784955,1 1.372,2 10.92,3 4.533,4 20.546,5 102.407,6 6.425,7 0.462,8 4.013,9 4.146,10 3.445,11 3.52,12 5.042,13 3.468,14 4.559,15 4.773,16 3.763,17 3.877,18 5.531,19 3.802,20 4.78,21 4.988,22 3.83,23 4.068,24 5.704,25 3.961,26 4.996,27 5.247,28 3.783,29 4.095,30 5.925,31 3.953,32 4.988,33 5.261,34 3.725,35 4.019,36 5.91,37 3.883,38 4.782,39 5.022,40 3.667,41 3.937,42 5.742,43 3.809,44 4.777,45 5.028,46 3.518,47 3.837,48 5.755,49 3.696,50 4.599,51 4.862,52 3.386,53 3.696,54 5.549,55 3.558,56 0.044,57 0.722,58 12.422,59 5.063,60 10.257,61 7.158,62 0.392,63 1.133,64 22.276,65 7.674,66 31.555,67 11.388,68 0.199,69 1.372,70 27.39,71 10.303,72 27.983,73 14.737,74 0.322,75 1.521,76 34.414,77 12.228,78 53.419,79 17.516,80 0.481,81 1.447,82 34.631,83 11.374,84 62.019,85 16.492,86 0.226,87 1.266,88 27.63,89 10.012,90 40.712,91 14.331,92 0.415,93 1.177,94 28.049,95 9.564,96 53.226,97 13.482,98 0.243,99 1.017,100 23.128,101 8.013,102 42.521,103 11.603,104 39,105 35,106 0.231,107 0.5,108 0.682,109 0.805,110 0.833,111 0.833,112 3.266,113 0.996,114 -4.77,115 -4.68,116 -4.4,121 39.6,122 2,123 1,126 3,129 2,144 9,145 2,146 1,161 1,176 11,179 3,180 6,187 14,192 5,200 10,206 12,214 4,218 1,219 10,227 3,232 7,239 5,243 2,244 6,251 6,256 2,264 8,269 2,277 11,281 938,282 16.259,283 16.259,284 16.259,285 16.259,286 16.259,287 14.679,288 20.376,289 9.653,290 16.596,291 12.766,292 12.766,293 12.766,294 12.766,295 12.766,296 10.412,297 26.728,298 4.564,299 13.264,300 4.356,301 2.765,302 1.685,303 0.953,304 0.788,305 0.788,306 3.924,311 1,312 1,313 558,314 4.301,318 195.037,325 1.77,326 16.129,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 53,338 273,339 4.21,340 3.8,341 6.311,342 3.927,343 2.971,344 3.744,345 2.208,346 9.341,347 2.855,348 4.044,349 3.256,350 6.272,351 3.846,352 2.893,353 3.463,354 0.916,355 9.119,356 2.748,357 3.866,358 2.871,359 5.473,360 3.503,361 2.528,362 3.153,363 0.655,364 7.272,365 2.456,366 3.607,367 2.658,368 5.326,369 3.317,370 2.364,371 2.798,372 0.172,373 6.785,374 2.239,375 3.137,376 2.383,377 4.829,378 2.854,379 1.893,380 2.239,381 0.13,382 5.077,383 1.809,384 2.973,385 2.072,386 4.597,387 2.64,388 1.667,389 2.09,391 4.455,392 1.609,393 2.795,394 1.565,395 3.641,396 2.385,397 1.39,398 1.855,400 3.029,401 1.378,402 2.642,403 1.313,404 3.514,405 2.185,406 1.195,407 1.697,409 2.634,410 1.181,411 2.5,412 1.047,413 3.295,414 2,415 1,416 1.5,418 2.136,419 1,420 1.774,421 1,422 3.247,423 1.59,424 0.629,425 0.687,427 1.507,428 0.601,429 1.737,430 0.761,431 3.131,432 1.559,433 0.596,434 0.661,436 1.372,437 0.569,438 1.176,439 0.635,440 2.641,441 0.77,442 -0.209,443 -0.251,445 -0.513,446 -0.201,447 0.983,448 -0.003,449 2.177,450 0.722,451 -0.265,452 -0.33,454 -0.621,455 -0.259,456 0.627,457 -0.362,458 2,459 0.233,460 -0.766,461 -0.979,463 -1.911,464 -0.763,465 0.5,466 -0.6,467 1.741,469 -1,470 -1,472 -2,473 -0.9,474 11.967,475 0.479,476 0.706,477 0.028,478 29.25,479 1.17,480 14,481 0.56,482 15.25,483 0.61,484 22.248,485 0.89,486 28.233,487 0.533,488 22.289,489 0.892,490 5.972,491 0.239,492 5.908,493 0.236,494 0.237,496 0.318,501 0.779,502 1.512,503 0.939,504 1.285,505 0.665,506 1.151,507 0.789,508 0.891,509 0.902,510 0.837,511 0.478,512 0.857,513 1.073,514 1.206,515 1.116,516 1.204,517 0.775,518 1.164,519 1.326,520 1.142,521 1.068,522 1.115,523 1.344,524 1.077,525 1.593,526 0.828,527 0.987,528 0.795,529 1.682,530 0.825,531 1.192,532 1.17,533 1.052,534 1.162,535 1.065,536 1.102,537 1.677,538 0.916,539 1.145,540 0.976,541 1.677,542 1.009,543 1.363,544 0.98,545 1.008,546 0.942,547 1.713,548 0.94,549 5.5,550 0.082,551 2.889,552 1.813,553 1.213,554 0.917,555 0.529,556 0.375,557 0.23,558 0.109,559 6882,560 15003,561 1.928,562 52.8,564 20,569 8,572 1.678,573 1.765,574 3.448,575 -0.83,582 72.735,583 1.372,584 2.963,585 4.043,586 4.775,587 4.94,588 4.94,589 2.923,590 4.324,591 4.617,592 3.599,593 1079.72,594 7.974,595 13508.1,597 1,600 303.58,601 1.541,602 4.546,603 0.212,604 0.005,605 0.083,606 0.05,607 0.038,608 0.03,609 0.018,610 0.016,611 0.01,612 0.006,613 0.467,614 0.33,615 1,616 1.051,617 122.255,618 0.034,619 -0.267,620 0.054,621 -0.128,622 -0.054,623 -0.051,624 0.291,625 0.263,626 0.119,627 0.17,628 0.207,629 0.137,630 -0.072,631 -0.106,632 -0.121,633 -0.158,634 -0.01,635 -0.142,636 -0.069,637 -0.18,638 -0.062,639 -0.133,640 -0.052,641 -0.104,642 -0.091,643 0.098,644 0.047,645 0.133,646 -0.117,647 0.106,648 -0.034,649 -0.169,650 -0.051,651 -0.161,652 0.023,653 -0.114,654 -0.078,655 0.027,656 -0.103,657 -0.023,658 -0.085,659 -0.065,660 -0.1,661 -0.023,662 0.001,663 0.02,664 -0.037,665 0.021,666 2.002,667 5.452,668 0.48,669 22.464,670 0.988,671 1.129,672 3.539,673 12.527,674 0.638,675 3.296,676 3.584,677 3.761,678 3.871,679 3.989,680 3.932,681 3.951,682 3.97,683 3.829,684 3.761,685 6.543,686 0.591,687 340.51,688 3.296,689 4.812,690 5.624,691 6.466,692 7.294,693 8.139,694 8.971,695 9.818,696 10.651,697 11.499,698 3.8,701 1,705 1,715 9,720 3,722 12,737 1,741 53,743 13,744 2,745 26,747 54,748 21,749 12,750 3,751 9,756 2,757 2,763 2,770 3,772 13,773 8,777 1,782 1,786 1,790 1,793 28,794 4,796 4,802 2,808 1,809 2,829 2,855 1,859 2,864 5,868 25,876 1,878 1,880 2,881 2,893 3.8,896 1,898 1,901 14.167,902 10.9,903 5.611,904 3.117,907 1.954,908 1.301,909 0.914,910 6.887,911 8.455,912 3.526,913 4.025,914 4.454,915 4.892,916 5.322,917 5.242,918 5.42,919 5.568,920 5.411,921 5.476,922 1,923 36,924 9.249,926 3.69,927 0.026,929 7.633,931 17.873,933 13.915,936 2.133,937 53.333,939 1,940 1,941 329.591,942 149.037,943 6.249,945 36.145,948 149.037,949 365.736,950 6.249,951 42.84,952 5.659,953 85.286,954 25.145,955 25.739,956 6.763,957 329.591,959 329.591,960 155.286,961 36.145,964 235.422,965 130.314,968 26.434,969 128.852,972 329.591,973 42.393,974 149.037,977 329.591,978 20.912,979 134.374,981 36.145,982 329.591,983 42.393,984 149.037,986 0.581,987 0.333,988 0.156,989 0.079,990 14,991 8,992 0.13,993 7,995 1,996 3.64,997 188.217,999 12,1000 108.096,1005 19.326,1006 8.909,1007 5.5,1009 42.393,1010 17.875,1015 2.904,1018 521.022,1019 33,1024 12.452,1028 -0.335,1031 52.345,1032 59.813,1034 0.24,1035 0.517,1036 0.706,1037 0.834,1038 0.862,1039 0.862,1040 4.745,1041 1.195,1042 5.609,1043 3.029,1044 4.263,1045 4.71,1046 2.458,1047 6.365,1048 4.188,1049 5.918,1050 1,1051 7.152,1052 2.634,1053 3.892,1054 4.35,1055 1.905,1056 7.177,1057 3.75,1058 7.187,1059 0.629,1060 8.795,1061 2.136,1062 5.814,1063 6.723,1064 3.555,1065 10.225,1066 5.656,1067 8.486,1068 0.596,1069 10.493,1070 1.507,1071 6.217,1072 7.073,1073 3.668,1074 11.806,1075 5.983,1076 9.812,1077 -0.209,1078 12.226,1079 1.372,1080 7.641,1081 8.996,1082 4.96,1083 14.377,1084 7.396,1085 11.156,1086 -0.265,1087 13.982,1088 -0.513,1089 8.389,1090 9.689,1091 5.372,1092 16.285,1093 8.071,1094 12.514,1095 -0.766,1096 15.754,1097 -0.621,1098 9.61,1099 11.394,1100 6.459,1101 18.668,1102 9.275,1103 2.971,1104 -1,1105 17.539,1106 -1.911,1107 10.523,1108 12.288,1109 7.028,1110 20.732,1111 10.122,1112 2.893,1113 9.341,1114 19.333,1115 -2,1116 11.656,1117 13.861,1118 7.994,1119 23.03,1120 11.231,1121 2.528,1122 9.119,1123 21.134,1124 3.744,1125 12.649,1126 14.885,1127 8.654,1128 25.172,1129 12.165,1130 2.364,1131 7.272,1132 22.942,1133 3.463,1134 13.745,1135 16.37,1136 9.549,1137 27.432,1138 13.23,1139 1.893,1140 6.785,1141 24.755,1142 3.153,1143 14.778,1144 17.483,1145 10.263,1146 29.613,1147 14.209,1148 1.667,1149 5.077,1150 26.572,1151 2.798,1152 15.858,1153 18.91,1154 11.116,1155 31.854,1156 15.254,1157 1.39,1158 4.455,1159 28.392,1160 2.239,1161 16.911,1162 20.084,1163 11.862,1164 34.056,1165 16.258,1166 6976,1167 10428,1168 16.414,1169 33.819,1170 38.648,1171 39.448,1172 40.036,1173 38.292,1174 38.254,1175 47.773,1176 8.163,1177 105.451,1178 36.891,1179 5.127,1180 5.8,1181 6.112,1182 5.006,1183 4.971,1184 6.744,1185 3.912,1186 16.078,1187 4.855,1188 15.418,1189 1.486,1190 1.517,1191 1.54,1192 1.473,1193 1.471,1194 1.837,1195 0.314,1196 4.056,1197 1.419,1198 3.975,1199 4.008,1200 3.908,1201 3.891,1202 7.433,1203 3.889,1204 3.914,1205 3.947,1206 3.839,1207 3.851,1208 4.821,1209 3.845,1210 3.681,1211 3.737,1212 3.591,1213 3.486,1214 4.749,1215 3.497,1216 3.581,1217 3.658,1218 3.442,1219 3.388,1220 4.356,1221 3.39,1222 3.285,1223 3.34,1224 3.16,1225 3.047,1226 4.256,1227 3.067,1228 3.177,1229 3.28,1230 2.93,1231 2.973,1232 4.086,1233 2.949,1234 3.002,1235 3.055,1236 2.814,1237 2.806,1238 3.816,1239 2.794,1240 2.959,1241 3.051,1242 2.717,1243 2.76,1244 3.78,1245 2.745,1246 0.162,1247 0.146,1248 0.243,1249 0.151,1250 0.114,1251 4.21,1252 0.144,1253 3.8,1254 0.085,1255 6.311,1256 0.359,1257 3.927,1258 0.11,1259 2.971,1260 3.744,1261 2.208,1262 9.341,1263 2.855,1264 1.931,1265 1.902,1266 2.067,1267 2.041,1268 1.277,1269 2.047,1270 1.919,1271 1.891,1272 2.043,1273 2.014,1274 1.223,1275 2.028,1276 1.63,1277 1.569,1278 1.853,1279 1.848,1280 0.98,1281 1.848,1282 1.553,1283 1.477,1284 1.805,1285 1.773,1286 0.897,1287 1.789,1288 1.234,1289 1.164,1290 1.6,1291 1.504,1292 0.677,1293 1.531,1294 1.206,1295 1.107,1296 1.574,1297 1.459,1298 0.638,1299 1.508,1300 1.001,1301 0.917,1302 1.417,1303 1.239,1304 0.502,1305 1.308,1306 0.934,1307 0.884,1308 1.362,1309 1.239,1310 0.469,1311 1.275,1312 3.97,1314 5.263,1316 6.739,1318 8.29,1320 9.877,1322 9.987,1328 0.796,1330 5.574,1332 0.312,1333 3.768,1340 31.321,1341 72.735,1342 157.056,1343 214.256,1344 253.05,1345 261.805,1346 261.805,1347 50.519,1348 6.501,1349 32.78,1350 32.78,1351 12,1352 12.062,1353 3.807,1354 3,1355 51.787,1356 98,1357 91,1358 0.257,1359 198.512,1360 346.44,1361 476.13,1362 5212,1364 18.397,1365 0.736,1366 0.631,1367 18.397,1368 15.769,1369 11.88,1370 0.457,1371 0.332,1372 8.52,1373 11.469,1374 8.077,1375 6.88,1376 11.88,1377 8.631,1378 10.685,1379 0.305,1380 0.192,1381 10.685,1382 6.73,1383 8.549,1384 0.204,1385 0.111,1386 8.549,1387 4.643,1388 6.033,1389 0.128,1390 0.055,1391 6.033,1392 2.581,1393 4.417,1394 0.083,1395 0.03,1396 4.417,1397 1.599,1398 0.408,1399 74.039,1400 0.247,1401 24.586,1402 0.688,1403 122,1404 324.761,1405 132.916,1406 315.245,1407 426.57,1408 294,1409 138,1410 310.487,1411 148.643,1412 319.526,1413 456.33,1414 295,1415 6.883}
{0 CHEMBL1784956,1 1.391,2 11,3 4.327,4 18.722,5 97.51,6 6.53,7 0.48,8 3.959,9 4.092,10 3.402,11 3.473,12 5.002,13 3.425,14 4.493,15 4.697,16 3.712,17 3.827,18 5.513,19 3.75,20 4.729,21 4.946,22 3.719,23 3.991,24 5.636,25 3.876,26 4.88,27 5.143,28 3.702,29 3.987,30 5.783,31 3.845,32 4.847,33 5.103,34 3.617,35 3.886,36 5.833,37 3.762,38 4.679,39 4.935,40 3.531,41 3.767,42 5.636,43 3.644,44 4.569,45 4.805,46 3.389,47 3.624,48 5.62,49 3.512,50 4.415,51 4.668,52 3.278,53 3.522,54 5.431,55 3.409,56 0.043,57 0.681,58 11.569,59 4.76,60 9.566,61 6.661,62 0.359,63 1.063,64 20.624,65 7.382,66 33.847,67 10.767,68 0.218,69 1.287,70 25.957,71 9.612,72 29.793,73 13.762,74 0.225,75 1.375,76 30.395,77 11.038,78 41.278,79 15.99,80 0.452,81 1.272,82 30.376,83 9.734,84 60.215,85 13.962,86 0.225,87 1.106,88 25.09,89 8.685,90 39.476,91 12.506,92 0.391,93 0.953,94 23.072,95 7.497,96 49.18,97 10.403,98 0.232,99 0.845,100 19.41,101 6.494,102 40.036,103 9.309,104 28,105 33,106 0.237,107 0.53,108 0.703,109 0.807,110 0.837,111 0.837,112 3.227,113 0.989,114 -4.55,115 -4.47,116 -4.21,121 40,122 2,123 1,126 2,129 2,144 9,145 2,146 1,161 1,176 11,179 1,180 4,183 2,185 2,187 14,192 4,197 1,200 10,206 8,211 4,214 4,218 1,219 6,224 4,227 3,232 5,237 2,239 5,243 1,244 5,247 1,249 1,251 6,256 2,264 8,269 2,277 11,281 836,282 15.706,283 15.706,284 15.706,285 15.706,286 15.706,287 14.102,288 19.748,289 9.505,290 15.999,291 12.341,292 12.341,293 12.341,294 12.341,295 12.341,296 9.97,297 26.41,298 4.545,299 12.779,300 4.253,301 2.541,302 1.526,303 0.915,304 0.74,305 0.74,306 3.887,311 1,312 1,313 541,314 4.062,318 185.814,325 1.75,326 15.592,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 51,338 264,339 4.197,340 3.678,341 6.301,342 3.911,343 2.943,344 3.741,345 2.186,346 9.303,347 2.852,348 3.939,349 3.253,350 5.572,351 3.652,352 2.681,353 3.456,354 0.916,355 7.614,356 2.616,357 3.787,358 2.814,359 5.444,360 3.468,361 2.518,362 2.996,363 0.366,364 7.228,365 2.363,366 3.509,367 2.643,368 5.07,369 3.209,370 2.242,371 2.681,372 0.172,373 6.116,374 2.156,375 3.115,376 2.173,377 4.75,378 2.853,379 1.889,380 2.226,382 4.97,383 1.809,384 2.969,385 2.07,386 4.396,387 2.624,388 1.649,389 2.077,391 4.305,392 1.593,393 2.759,394 1.498,395 3.566,396 2.371,397 1.376,398 1.813,400 2.977,401 1.367,402 2.642,403 1.313,404 3.505,405 2.182,406 1.191,407 1.697,409 2.623,410 1.178,411 2.5,412 1,413 3.247,414 2,415 1,416 1.5,418 2.136,419 1,420 1.738,421 0.776,422 3.15,423 1.583,424 0.612,425 0.675,427 1.394,428 0.593,429 1.191,430 0.709,431 2.887,432 0.942,438 1.139,439 0.317,440 2.462,441 0.761,442 -0.209,443 -0.253,445 -0.513,446 -0.202,447 0.746,448 -0.074,449 2,450 0.446,451 -0.572,452 -0.691,454 -1.312,455 -0.569,456 0.623,457 -0.507,458 1.929,459 0.233,460 -0.768,461 -0.987,463 -1.912,464 -0.768,465 0.5,466 -0.6,467 1.612,469 -1,470 -1,472 -2,473 -0.9,474 11.467,475 0.478,476 0.634,477 0.026,478 28.5,479 1.188,480 14,481 0.583,482 14.5,483 0.604,484 20.125,485 0.839,486 26.933,487 0.539,488 20.799,489 0.867,490 5.804,491 0.242,492 5.649,493 0.235,494 0.203,496 0.297,501 0.804,502 1.409,503 0.93,504 1.225,505 0.673,506 1.108,507 0.696,508 0.977,509 0.913,510 0.93,511 0.441,512 0.931,513 1.12,514 1.141,515 1.143,516 1.144,517 0.87,518 1.14,519 0.923,520 1.132,521 0.915,522 1.094,523 0.871,524 1.019,525 1.77,526 0.928,527 1.115,528 0.892,529 1.886,530 0.929,531 1.237,532 1.079,533 0.965,534 1.053,535 1.08,536 0.988,537 1.979,538 0.899,539 1.202,540 0.951,541 1.945,542 0.994,543 1.573,544 0.89,545 1.013,546 0.856,547 1.952,548 0.869,549 5.5,550 0.082,551 2,552 1.813,553 0.893,554 0.75,555 0.485,556 0.288,557 0.18,558 0.109,559 6433,560 14354,561 1.948,562 52,564 17,567 1,569 8,572 1.665,573 1.8,574 3.45,575 -0.383,577 1,582 69.543,583 1.391,584 3.103,585 4.118,586 4.728,587 4.903,588 4.903,589 2.907,590 3.772,591 4.558,592 3.615,593 997.794,594 7.845,595 12317.4,597 1,599 1,600 282.193,601 1.49,602 4.498,603 0.22,604 0.005,605 0.061,606 0.057,607 0.03,608 0.028,609 0.019,610 0.014,611 0.009,612 0.006,613 0.448,614 0.33,615 1,616 1.045,617 116.532,618 0.003,619 -0.174,620 0.043,621 -0.083,622 -0.063,623 -0.026,624 0.317,625 0.164,626 0.087,627 0.092,628 0.252,629 0.07,630 -0.12,631 -0.067,632 -0.158,633 -0.12,634 -0.097,635 -0.137,636 0.037,637 -0.177,638 0.061,639 -0.112,640 0.07,641 -0.035,642 -0.143,643 0.015,644 -0.066,645 0.037,646 -0.189,647 -0.003,648 -0.019,649 -0.12,650 0.041,651 -0.089,652 0.054,653 -0.025,654 -0.122,655 0.05,656 -0.13,657 -0.012,658 -0.116,659 -0.069,660 -0.15,661 0.073,662 0.016,663 0.095,664 -0.065,665 0.078,666 2.09,667 5.084,668 0.5,669 21.472,670 0.989,671 1.128,672 3.316,673 10.998,674 0.641,675 3.258,676 3.526,677 3.664,678 3.829,679 3.912,680 3.85,681 3.85,682 3.85,683 3.664,684 3.714,685 6.617,686 0.596,687 326.48,688 3.258,689 4.762,690 5.557,691 6.395,692 7.204,693 8.046,694 8.86,695 9.703,696 10.519,697 11.362,698 4,701 1,705 1,715 9,720 3,722 12,737 1,741 50,743 13,744 2,745 25,747 51,748 20,749 12,750 3,751 9,756 2,757 2,763 2,770 3,772 13,773 7,777 1,782 1,786 1,790 1,793 26,794 4,795 1,796 4,802 2,808 1,809 2,829 2,855 1,859 2,864 4,868 24,876 1,877 1,878 1,880 2,881 1,893 4,896 1,898 1,901 13.333,902 9.95,903 5.389,904 2.946,907 1.988,908 1.309,909 0.92,910 6.68,911 8.428,912 3.497,913 3.989,914 4.394,915 4.877,916 5.292,917 5.194,918 5.347,919 5.469,920 5.214,921 5.433,922 1,923 32,924 8.867,926 3.541,927 0.026,929 7.66,931 17.091,933 13.292,936 2.16,937 51.833,939 1,940 1,941 294.278,942 140.641,943 21.135,945 36.145,948 140.641,949 330.422,950 21.135,951 34.443,952 20.545,953 85.286,954 25.145,955 25.739,956 6.763,957 294.278,959 294.278,960 161.776,961 36.145,964 200.109,965 130.314,968 41.32,969 120.456,972 294.278,973 57.28,974 140.641,977 294.278,978 20.912,979 122.854,980 18.011,981 36.145,982 294.278,983 57.28,984 140.641,986 0.573,987 0.314,988 0.159,989 0.079,990 13,991 7,992 0.137,993 7,995 1,996 3.629,997 174.315,999 12,1000 102.039,1005 18.34,1006 8.741,1007 5.864,1009 57.28,1010 17.733,1015 2.861,1017 18.011,1018 492.198,1019 32,1024 12.084,1028 -0.423,1031 49.461,1032 56.398,1034 0.246,1035 0.55,1036 0.73,1037 0.838,1038 0.869,1039 0.869,1040 4.7,1041 1.191,1042 5.525,1043 2.977,1044 4.205,1045 4.673,1046 2.401,1047 6.244,1048 4.138,1049 5.865,1050 1,1051 7.034,1052 2.623,1053 3.761,1054 4.27,1055 1.847,1056 6.952,1057 3.642,1058 7.124,1059 0.612,1060 8.639,1061 2.136,1062 5.714,1063 6.679,1064 3.519,1065 9.989,1066 5.576,1067 8.41,1069 10.297,1070 1.394,1071 6.019,1072 6.975,1073 3.603,1074 11.48,1075 5.824,1076 9.722,1077 -0.209,1078 11.991,1080 7.476,1081 8.942,1082 4.91,1083 14.032,1084 7.271,1085 11.051,1086 -0.572,1087 13.708,1088 -0.513,1089 8.141,1090 9.596,1091 5.291,1092 15.884,1093 7.883,1094 12.396,1095 -0.768,1096 15.444,1097 -1.312,1098 9.378,1099 11.336,1100 6.388,1101 18.241,1102 9.109,1103 2.943,1104 -1,1105 17.195,1106 -1.912,1107 10.228,1108 12.206,1109 6.93,1110 20.275,1111 9.913,1112 2.681,1113 9.303,1114 18.957,1115 -2,1116 11.363,1117 13.803,1118 7.902,1119 22.55,1120 11.032,1121 2.518,1122 7.614,1123 20.729,1124 3.741,1125 12.31,1126 14.814,1127 8.539,1128 24.676,1129 11.939,1130 2.242,1131 7.228,1132 22.51,1133 3.456,1134 13.398,1135 16.317,1136 9.436,1137 26.918,1138 13.007,1139 1.889,1140 6.116,1141 24.298,1142 2.996,1143 14.398,1144 17.423,1145 10.13,1146 29.092,1147 13.97,1148 1.649,1149 4.97,1150 26.093,1151 2.681,1152 15.466,1153 18.861,1154 10.981,1155 31.322,1156 15.016,1157 1.376,1158 4.305,1159 27.893,1160 2.226,1161 16.494,1162 20.032,1163 11.71,1164 33.521,1165 16.01,1166 6493,1167 9829,1168 16.008,1169 32.057,1170 36.711,1171 37.305,1172 37.697,1173 36.263,1174 36.204,1175 45.72,1176 7.283,1177 97.33,1178 35.053,1179 5.114,1180 5.678,1181 6.102,1182 4.988,1183 4.943,1184 6.741,1185 3.889,1186 15.831,1187 4.852,1188 13.874,1189 1.468,1190 1.492,1191 1.508,1192 1.451,1193 1.448,1194 1.829,1195 0.291,1196 3.893,1197 1.402,1198 3.97,1199 4.003,1200 3.904,1201 3.889,1202 7.435,1203 3.887,1204 3.913,1205 3.946,1206 3.838,1207 3.851,1208 4.822,1209 3.844,1210 3.642,1211 3.701,1212 3.544,1213 3.446,1214 4.749,1215 3.453,1216 3.574,1217 3.649,1218 3.434,1219 3.387,1220 4.36,1221 3.387,1222 3.256,1223 3.301,1224 3.155,1225 2.994,1226 4.252,1227 3.021,1228 3.167,1229 3.241,1230 2.924,1231 2.936,1232 4.081,1233 2.938,1234 2.964,1235 3.053,1236 2.763,1237 2.806,1238 3.815,1239 2.786,1240 2.874,1241 3.009,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.168,1247 0.147,1248 0.252,1249 0.156,1250 0.118,1251 4.197,1252 0.15,1253 3.678,1254 0.087,1255 6.301,1256 0.372,1257 3.911,1258 0.114,1259 2.943,1260 3.741,1261 2.186,1262 9.303,1263 2.852,1264 1.929,1265 1.901,1266 2.065,1267 2.037,1268 1.261,1269 2.043,1270 1.919,1271 1.891,1272 2.043,1273 2.012,1274 1.223,1275 2.028,1276 1.595,1277 1.533,1278 1.83,1279 1.821,1280 0.958,1281 1.821,1282 1.551,1283 1.475,1284 1.804,1285 1.764,1286 0.897,1287 1.782,1288 1.216,1289 1.124,1290 1.599,1291 1.476,1292 0.677,1293 1.519,1294 1.078,1295 1.056,1296 1.417,1297 1.406,1298 0.503,1299 1.364,1300 0.999,1301 0.917,1302 1.365,1303 1.239,1304 0.469,1305 1.308,1306 0.934,1307 0.821,1308 1.231,1309 1.222,1310 0.218,1311 1.274,1312 3.932,1314 5.209,1316 6.663,1318 8.193,1320 9.761,1322 8.131,1328 0.771,1329 2.877,1330 5.425,1332 0.261,1333 2.112,1340 29.794,1341 69.543,1342 155.134,1343 205.889,1344 236.418,1345 245.173,1346 245.173,1347 44.994,1348 6.439,1349 41.57,1350 41.57,1351 12,1352 11.931,1353 3.807,1354 3,1355 48.655,1356 96,1357 86,1358 0.246,1359 188.92,1360 329.14,1361 452.724,1362 4955,1364 17.527,1365 0.73,1366 0.618,1367 17.527,1368 14.822,1369 11.452,1370 0.458,1371 0.33,1372 8.143,1373 11.073,1374 7.765,1375 6.602,1376 11.452,1377 8.241,1378 10.317,1379 0.313,1380 0.192,1381 10.317,1382 6.337,1383 7.619,1384 0.201,1385 0.107,1386 7.619,1387 4.075,1388 6.009,1389 0.134,1390 0.055,1391 6.009,1392 2.492,1393 4.2,1394 0.086,1395 0.03,1396 4.2,1397 1.471,1398 0.395,1399 71.26,1400 0.25,1401 23.921,1402 0.65,1403 116,1404 313.449,1405 126.555,1406 304.537,1407 410.89,1408 284,1409 129,1410 297.641,1411 138.146,1412 304.979,1413 434.52,1414 283,1415 6.394}
{0 CHEMBL1784957,1 1.391,2 11,3 4.327,4 18.722,5 97.51,6 6.53,7 0.48,8 3.959,9 4.092,10 3.402,11 3.473,12 5.002,13 3.425,14 4.493,15 4.697,16 3.712,17 3.827,18 5.513,19 3.75,20 4.729,21 4.946,22 3.719,23 3.991,24 5.636,25 3.876,26 4.88,27 5.143,28 3.702,29 3.987,30 5.783,31 3.845,32 4.847,33 5.103,34 3.617,35 3.886,36 5.833,37 3.762,38 4.679,39 4.935,40 3.531,41 3.767,42 5.636,43 3.644,44 4.569,45 4.805,46 3.389,47 3.624,48 5.62,49 3.512,50 4.415,51 4.668,52 3.278,53 3.522,54 5.431,55 3.409,56 0.043,57 0.681,58 11.569,59 4.76,60 9.566,61 6.661,62 0.359,63 1.063,64 20.624,65 7.382,66 33.847,67 10.767,68 0.218,69 1.287,70 25.957,71 9.612,72 29.793,73 13.762,74 0.225,75 1.375,76 30.395,77 11.038,78 41.278,79 15.99,80 0.452,81 1.272,82 30.376,83 9.734,84 60.215,85 13.962,86 0.225,87 1.106,88 25.09,89 8.685,90 39.476,91 12.506,92 0.391,93 0.953,94 23.072,95 7.497,96 49.18,97 10.403,98 0.232,99 0.845,100 19.41,101 6.494,102 40.036,103 9.309,104 28,105 33,106 0.237,107 0.53,108 0.703,109 0.807,110 0.837,111 0.837,112 3.227,113 0.989,114 -4.55,115 -4.47,116 -4.21,121 40,122 2,123 1,126 2,129 2,144 9,145 2,146 1,161 1,176 11,179 1,180 4,183 2,185 2,187 14,192 4,197 1,200 10,206 8,211 4,214 4,218 1,219 6,224 4,227 3,232 5,237 2,239 5,243 1,244 5,247 1,249 1,251 6,256 2,264 8,269 2,277 11,281 836,282 15.706,283 15.706,284 15.706,285 15.706,286 15.706,287 14.102,288 19.748,289 9.505,290 15.999,291 12.341,292 12.341,293 12.341,294 12.341,295 12.341,296 9.97,297 26.41,298 4.545,299 12.779,300 4.253,301 2.541,302 1.526,303 0.915,304 0.74,305 0.74,306 3.887,311 1,312 1,313 541,314 4.062,318 185.814,325 1.75,326 15.592,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 51,338 264,339 4.197,340 3.678,341 6.301,342 3.911,343 2.943,344 3.741,345 2.186,346 9.303,347 2.852,348 3.939,349 3.253,350 5.572,351 3.652,352 2.681,353 3.456,354 0.916,355 7.614,356 2.616,357 3.787,358 2.814,359 5.444,360 3.468,361 2.518,362 2.996,363 0.366,364 7.228,365 2.363,366 3.509,367 2.643,368 5.07,369 3.209,370 2.242,371 2.681,372 0.172,373 6.116,374 2.156,375 3.115,376 2.173,377 4.75,378 2.853,379 1.889,380 2.226,382 4.97,383 1.809,384 2.969,385 2.07,386 4.396,387 2.624,388 1.649,389 2.077,391 4.305,392 1.593,393 2.759,394 1.498,395 3.566,396 2.371,397 1.376,398 1.813,400 2.977,401 1.367,402 2.642,403 1.313,404 3.505,405 2.182,406 1.191,407 1.697,409 2.623,410 1.178,411 2.5,412 1,413 3.247,414 2,415 1,416 1.5,418 2.136,419 1,420 1.738,421 0.776,422 3.15,423 1.583,424 0.612,425 0.675,427 1.394,428 0.593,429 1.191,430 0.709,431 2.887,432 0.942,438 1.139,439 0.317,440 2.462,441 0.761,442 -0.209,443 -0.253,445 -0.513,446 -0.202,447 0.746,448 -0.074,449 2,450 0.446,451 -0.572,452 -0.691,454 -1.312,455 -0.569,456 0.623,457 -0.507,458 1.929,459 0.233,460 -0.768,461 -0.987,463 -1.912,464 -0.768,465 0.5,466 -0.6,467 1.612,469 -1,470 -1,472 -2,473 -0.9,474 11.467,475 0.478,476 0.634,477 0.026,478 28.5,479 1.188,480 14,481 0.583,482 14.5,483 0.604,484 20.125,485 0.839,486 26.933,487 0.539,488 20.799,489 0.867,490 5.804,491 0.242,492 5.649,493 0.235,494 0.203,496 0.297,501 0.804,502 1.409,503 0.93,504 1.225,505 0.673,506 1.108,507 0.696,508 0.977,509 0.913,510 0.93,511 0.441,512 0.931,513 1.12,514 1.141,515 1.143,516 1.144,517 0.87,518 1.14,519 0.923,520 1.132,521 0.915,522 1.094,523 0.871,524 1.019,525 1.77,526 0.928,527 1.115,528 0.892,529 1.886,530 0.929,531 1.237,532 1.079,533 0.965,534 1.053,535 1.08,536 0.988,537 1.979,538 0.899,539 1.202,540 0.951,541 1.945,542 0.994,543 1.573,544 0.89,545 1.013,546 0.856,547 1.952,548 0.869,549 5.5,550 0.082,551 2,552 1.813,553 0.893,554 0.75,555 0.485,556 0.288,557 0.18,558 0.109,559 6433,560 14354,561 1.948,562 52,564 17,567 1,569 8,572 1.665,573 1.8,574 3.45,575 -0.383,577 1,582 69.543,583 1.391,584 3.103,585 4.118,586 4.728,587 4.903,588 4.903,589 2.907,590 3.772,591 4.558,592 3.615,593 997.794,594 7.845,595 12317.4,597 1,599 1,600 282.193,601 1.49,602 4.498,603 0.22,604 0.005,605 0.061,606 0.057,607 0.03,608 0.028,609 0.019,610 0.014,611 0.009,612 0.006,613 0.448,614 0.33,615 1,616 1.045,617 116.532,618 0.003,619 -0.174,620 0.043,621 -0.083,622 -0.063,623 -0.026,624 0.317,625 0.164,626 0.087,627 0.092,628 0.252,629 0.07,630 -0.12,631 -0.067,632 -0.158,633 -0.12,634 -0.097,635 -0.137,636 0.037,637 -0.177,638 0.061,639 -0.112,640 0.07,641 -0.035,642 -0.143,643 0.015,644 -0.066,645 0.037,646 -0.189,647 -0.003,648 -0.019,649 -0.12,650 0.041,651 -0.089,652 0.054,653 -0.025,654 -0.122,655 0.05,656 -0.13,657 -0.012,658 -0.116,659 -0.069,660 -0.15,661 0.073,662 0.016,663 0.095,664 -0.065,665 0.078,666 2.09,667 5.084,668 0.5,669 21.472,670 0.989,671 1.128,672 3.316,673 10.998,674 0.641,675 3.258,676 3.526,677 3.664,678 3.829,679 3.912,680 3.85,681 3.85,682 3.85,683 3.664,684 3.714,685 6.617,686 0.596,687 326.48,688 3.258,689 4.762,690 5.557,691 6.395,692 7.204,693 8.046,694 8.86,695 9.703,696 10.519,697 11.362,698 4,701 1,705 1,715 9,720 3,722 12,737 1,741 50,743 13,744 2,745 25,747 51,748 20,749 12,750 3,751 9,756 2,757 2,763 2,770 3,772 13,773 7,777 1,782 1,786 1,790 1,793 26,794 4,795 1,796 4,802 2,808 1,809 2,829 2,855 1,859 2,864 4,868 24,876 1,877 1,878 1,880 2,881 1,893 4,896 1,898 1,901 13.333,902 9.95,903 5.389,904 2.946,907 1.988,908 1.309,909 0.92,910 6.68,911 8.428,912 3.497,913 3.989,914 4.394,915 4.877,916 5.292,917 5.194,918 5.347,919 5.469,920 5.214,921 5.433,922 1,923 32,924 8.867,926 3.541,927 0.026,929 7.66,931 17.091,933 13.292,936 2.16,937 51.833,939 1,940 1,941 294.278,942 140.641,943 21.135,945 36.145,948 140.641,949 330.422,950 21.135,951 34.443,952 20.545,953 85.286,954 25.145,955 25.739,956 6.763,957 294.278,959 294.278,960 161.776,961 36.145,964 200.109,965 130.314,968 41.32,969 120.456,972 294.278,973 57.28,974 140.641,977 294.278,978 20.912,979 122.854,980 18.011,981 36.145,982 294.278,983 57.28,984 140.641,986 0.573,987 0.314,988 0.159,989 0.079,990 13,991 7,992 0.137,993 7,995 1,996 3.629,997 174.315,999 12,1000 102.039,1005 18.34,1006 8.741,1007 5.864,1009 57.28,1010 17.733,1015 2.861,1017 18.011,1018 492.198,1019 32,1024 12.084,1028 -0.423,1031 49.461,1032 56.398,1034 0.246,1035 0.55,1036 0.73,1037 0.838,1038 0.869,1039 0.869,1040 4.7,1041 1.191,1042 5.525,1043 2.977,1044 4.205,1045 4.673,1046 2.401,1047 6.244,1048 4.138,1049 5.865,1050 1,1051 7.034,1052 2.623,1053 3.761,1054 4.27,1055 1.847,1056 6.952,1057 3.642,1058 7.124,1059 0.612,1060 8.639,1061 2.136,1062 5.714,1063 6.679,1064 3.519,1065 9.989,1066 5.576,1067 8.41,1069 10.297,1070 1.394,1071 6.019,1072 6.975,1073 3.603,1074 11.48,1075 5.824,1076 9.722,1077 -0.209,1078 11.991,1080 7.476,1081 8.942,1082 4.91,1083 14.032,1084 7.271,1085 11.051,1086 -0.572,1087 13.708,1088 -0.513,1089 8.141,1090 9.596,1091 5.291,1092 15.884,1093 7.883,1094 12.396,1095 -0.768,1096 15.444,1097 -1.312,1098 9.378,1099 11.336,1100 6.388,1101 18.241,1102 9.109,1103 2.943,1104 -1,1105 17.195,1106 -1.912,1107 10.228,1108 12.206,1109 6.93,1110 20.275,1111 9.913,1112 2.681,1113 9.303,1114 18.957,1115 -2,1116 11.363,1117 13.803,1118 7.902,1119 22.55,1120 11.032,1121 2.518,1122 7.614,1123 20.729,1124 3.741,1125 12.31,1126 14.814,1127 8.539,1128 24.676,1129 11.939,1130 2.242,1131 7.228,1132 22.51,1133 3.456,1134 13.398,1135 16.317,1136 9.436,1137 26.918,1138 13.007,1139 1.889,1140 6.116,1141 24.298,1142 2.996,1143 14.398,1144 17.423,1145 10.13,1146 29.092,1147 13.97,1148 1.649,1149 4.97,1150 26.093,1151 2.681,1152 15.466,1153 18.861,1154 10.981,1155 31.322,1156 15.016,1157 1.376,1158 4.305,1159 27.893,1160 2.226,1161 16.494,1162 20.032,1163 11.71,1164 33.521,1165 16.01,1166 6493,1167 9829,1168 16.008,1169 32.057,1170 36.711,1171 37.305,1172 37.697,1173 36.263,1174 36.204,1175 45.72,1176 7.283,1177 97.33,1178 35.053,1179 5.114,1180 5.678,1181 6.102,1182 4.988,1183 4.943,1184 6.741,1185 3.889,1186 15.831,1187 4.852,1188 13.874,1189 1.468,1190 1.492,1191 1.508,1192 1.451,1193 1.448,1194 1.829,1195 0.291,1196 3.893,1197 1.402,1198 3.97,1199 4.003,1200 3.904,1201 3.889,1202 7.435,1203 3.887,1204 3.913,1205 3.946,1206 3.838,1207 3.851,1208 4.822,1209 3.844,1210 3.642,1211 3.701,1212 3.544,1213 3.446,1214 4.749,1215 3.453,1216 3.574,1217 3.649,1218 3.434,1219 3.387,1220 4.36,1221 3.387,1222 3.256,1223 3.301,1224 3.155,1225 2.994,1226 4.252,1227 3.021,1228 3.167,1229 3.241,1230 2.924,1231 2.936,1232 4.081,1233 2.938,1234 2.964,1235 3.053,1236 2.763,1237 2.806,1238 3.815,1239 2.786,1240 2.874,1241 3.009,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.168,1247 0.147,1248 0.252,1249 0.156,1250 0.118,1251 4.197,1252 0.15,1253 3.678,1254 0.087,1255 6.301,1256 0.372,1257 3.911,1258 0.114,1259 2.943,1260 3.741,1261 2.186,1262 9.303,1263 2.852,1264 1.929,1265 1.901,1266 2.065,1267 2.037,1268 1.261,1269 2.043,1270 1.919,1271 1.891,1272 2.043,1273 2.012,1274 1.223,1275 2.028,1276 1.595,1277 1.533,1278 1.83,1279 1.821,1280 0.958,1281 1.821,1282 1.551,1283 1.475,1284 1.804,1285 1.764,1286 0.897,1287 1.782,1288 1.216,1289 1.124,1290 1.599,1291 1.476,1292 0.677,1293 1.519,1294 1.078,1295 1.056,1296 1.417,1297 1.406,1298 0.503,1299 1.364,1300 0.999,1301 0.917,1302 1.365,1303 1.239,1304 0.469,1305 1.308,1306 0.934,1307 0.821,1308 1.231,1309 1.222,1310 0.218,1311 1.274,1312 3.932,1314 5.209,1316 6.663,1318 8.193,1320 9.761,1322 8.131,1328 0.771,1329 2.877,1330 5.425,1332 0.261,1333 2.112,1340 29.794,1341 69.543,1342 155.134,1343 205.889,1344 236.418,1345 245.173,1346 245.173,1347 44.994,1348 6.439,1349 41.57,1350 41.57,1351 12,1352 11.931,1353 3.807,1354 3,1355 48.655,1356 96,1357 86,1358 0.246,1359 188.92,1360 329.14,1361 452.724,1362 4955,1364 17.527,1365 0.73,1366 0.618,1367 17.527,1368 14.822,1369 11.452,1370 0.458,1371 0.33,1372 8.143,1373 11.073,1374 7.765,1375 6.602,1376 11.452,1377 8.241,1378 10.317,1379 0.313,1380 0.192,1381 10.317,1382 6.337,1383 7.619,1384 0.201,1385 0.107,1386 7.619,1387 4.075,1388 6.009,1389 0.134,1390 0.055,1391 6.009,1392 2.492,1393 4.2,1394 0.086,1395 0.03,1396 4.2,1397 1.471,1398 0.395,1399 71.26,1400 0.25,1401 23.921,1402 0.65,1403 116,1404 313.449,1405 126.555,1406 304.537,1407 410.89,1408 284,1409 129,1410 297.641,1411 138.146,1412 304.979,1413 434.52,1414 283,1415 6.294}
{0 CHEMBL1784958,1 1.372,2 10.92,3 4.533,4 20.546,5 102.407,6 6.425,7 0.462,8 4.013,9 4.146,10 3.445,11 3.52,12 5.042,13 3.468,14 4.559,15 4.773,16 3.763,17 3.877,18 5.531,19 3.802,20 4.78,21 4.988,22 3.83,23 4.068,24 5.704,25 3.961,26 4.996,27 5.247,28 3.783,29 4.095,30 5.925,31 3.953,32 4.988,33 5.261,34 3.725,35 4.019,36 5.91,37 3.883,38 4.782,39 5.022,40 3.667,41 3.937,42 5.742,43 3.809,44 4.777,45 5.028,46 3.518,47 3.837,48 5.755,49 3.696,50 4.599,51 4.862,52 3.386,53 3.696,54 5.549,55 3.558,56 0.044,57 0.722,58 12.422,59 5.063,60 10.257,61 7.158,62 0.392,63 1.133,64 22.276,65 7.674,66 31.555,67 11.388,68 0.199,69 1.372,70 27.39,71 10.303,72 27.983,73 14.737,74 0.322,75 1.521,76 34.414,77 12.228,78 53.419,79 17.516,80 0.481,81 1.447,82 34.631,83 11.374,84 62.019,85 16.492,86 0.226,87 1.266,88 27.63,89 10.012,90 40.712,91 14.331,92 0.415,93 1.177,94 28.049,95 9.564,96 53.226,97 13.482,98 0.243,99 1.017,100 23.128,101 8.013,102 42.521,103 11.603,104 39,105 35,106 0.231,107 0.5,108 0.682,109 0.805,110 0.833,111 0.833,112 3.266,113 0.996,114 -4.77,115 -4.68,116 -4.4,121 39.6,122 2,123 1,126 3,129 2,144 9,145 2,146 1,161 1,176 11,179 3,180 6,187 14,192 5,200 10,206 12,214 4,218 1,219 10,227 3,232 7,239 5,243 2,244 6,251 6,256 2,264 8,269 2,277 11,281 938,282 16.259,283 16.259,284 16.259,285 16.259,286 16.259,287 14.679,288 20.376,289 9.653,290 16.596,291 12.766,292 12.766,293 12.766,294 12.766,295 12.766,296 10.412,297 26.728,298 4.564,299 13.264,300 4.356,301 2.765,302 1.685,303 0.953,304 0.788,305 0.788,306 3.924,311 1,312 1,313 558,314 4.301,318 195.037,325 1.77,326 16.129,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 53,338 273,339 4.21,340 3.8,341 6.311,342 3.927,343 2.971,344 3.744,345 2.208,346 9.341,347 2.855,348 4.044,349 3.256,350 6.272,351 3.846,352 2.893,353 3.463,354 0.916,355 9.119,356 2.748,357 3.866,358 2.871,359 5.473,360 3.503,361 2.528,362 3.153,363 0.655,364 7.272,365 2.456,366 3.607,367 2.658,368 5.326,369 3.317,370 2.364,371 2.798,372 0.172,373 6.785,374 2.239,375 3.137,376 2.383,377 4.829,378 2.854,379 1.893,380 2.239,381 0.13,382 5.077,383 1.809,384 2.973,385 2.072,386 4.597,387 2.64,388 1.667,389 2.09,391 4.455,392 1.609,393 2.795,394 1.565,395 3.641,396 2.385,397 1.39,398 1.855,400 3.029,401 1.378,402 2.642,403 1.313,404 3.514,405 2.185,406 1.195,407 1.697,409 2.634,410 1.181,411 2.5,412 1.047,413 3.295,414 2,415 1,416 1.5,418 2.136,419 1,420 1.774,421 1,422 3.247,423 1.59,424 0.629,425 0.687,427 1.507,428 0.601,429 1.737,430 0.761,431 3.131,432 1.559,433 0.596,434 0.661,436 1.372,437 0.569,438 1.176,439 0.635,440 2.641,441 0.77,442 -0.209,443 -0.251,445 -0.513,446 -0.201,447 0.983,448 -0.003,449 2.177,450 0.722,451 -0.265,452 -0.33,454 -0.621,455 -0.259,456 0.627,457 -0.362,458 2,459 0.233,460 -0.766,461 -0.979,463 -1.911,464 -0.763,465 0.5,466 -0.6,467 1.741,469 -1,470 -1,472 -2,473 -0.9,474 11.967,475 0.479,476 0.706,477 0.028,478 29.25,479 1.17,480 14,481 0.56,482 15.25,483 0.61,484 22.248,485 0.89,486 28.233,487 0.533,488 22.289,489 0.892,490 5.972,491 0.239,492 5.908,493 0.236,494 0.237,496 0.318,501 0.779,502 1.512,503 0.939,504 1.285,505 0.665,506 1.151,507 0.789,508 0.891,509 0.902,510 0.837,511 0.478,512 0.857,513 1.073,514 1.206,515 1.116,516 1.204,517 0.775,518 1.164,519 1.326,520 1.142,521 1.068,522 1.115,523 1.344,524 1.077,525 1.593,526 0.828,527 0.987,528 0.795,529 1.682,530 0.825,531 1.192,532 1.17,533 1.052,534 1.162,535 1.065,536 1.102,537 1.677,538 0.916,539 1.145,540 0.976,541 1.677,542 1.009,543 1.363,544 0.98,545 1.008,546 0.942,547 1.713,548 0.94,549 5.5,550 0.082,551 2.889,552 1.813,553 1.213,554 0.917,555 0.529,556 0.375,557 0.23,558 0.109,559 6882,560 15003,561 1.928,562 52.8,564 20,569 8,572 1.678,573 1.765,574 3.448,575 -0.83,582 72.735,583 1.372,584 2.963,585 4.043,586 4.775,587 4.94,588 4.94,589 2.923,590 4.324,591 4.617,592 3.599,593 1079.72,594 7.974,595 13508.1,597 1,600 303.58,601 1.541,602 4.546,603 0.212,604 0.005,605 0.083,606 0.05,607 0.038,608 0.03,609 0.018,610 0.016,611 0.01,612 0.006,613 0.467,614 0.33,615 1,616 1.051,617 122.255,618 0.034,619 -0.267,620 0.054,621 -0.128,622 -0.054,623 -0.051,624 0.291,625 0.263,626 0.119,627 0.17,628 0.207,629 0.137,630 -0.072,631 -0.106,632 -0.121,633 -0.158,634 -0.01,635 -0.142,636 -0.069,637 -0.18,638 -0.062,639 -0.133,640 -0.052,641 -0.104,642 -0.091,643 0.098,644 0.047,645 0.133,646 -0.117,647 0.106,648 -0.034,649 -0.169,650 -0.051,651 -0.161,652 0.023,653 -0.114,654 -0.078,655 0.027,656 -0.103,657 -0.023,658 -0.085,659 -0.065,660 -0.1,661 -0.023,662 0.001,663 0.02,664 -0.037,665 0.021,666 2.002,667 5.452,668 0.48,669 22.464,670 0.988,671 1.129,672 3.539,673 12.527,674 0.638,675 3.296,676 3.584,677 3.761,678 3.871,679 3.989,680 3.932,681 3.951,682 3.97,683 3.829,684 3.761,685 6.543,686 0.591,687 340.51,688 3.296,689 4.812,690 5.624,691 6.466,692 7.294,693 8.139,694 8.971,695 9.818,696 10.651,697 11.499,698 3.8,701 1,705 1,715 9,720 3,722 12,737 1,741 53,743 13,744 2,745 26,747 54,748 21,749 12,750 3,751 9,756 2,757 2,763 2,770 3,772 13,773 8,777 1,782 1,786 1,790 1,793 28,794 4,796 4,802 2,808 1,809 2,829 2,855 1,859 2,864 5,868 25,876 1,878 1,880 2,881 2,893 3.8,896 1,898 1,901 14.167,902 10.9,903 5.611,904 3.117,907 1.954,908 1.301,909 0.914,910 6.887,911 8.455,912 3.526,913 4.025,914 4.454,915 4.892,916 5.322,917 5.242,918 5.42,919 5.568,920 5.411,921 5.476,922 1,923 36,924 9.249,926 3.69,927 0.026,929 7.633,931 17.873,933 13.915,936 2.133,937 53.333,939 1,940 1,941 329.591,942 149.037,943 6.249,945 36.145,948 149.037,949 365.736,950 6.249,951 42.84,952 5.659,953 85.286,954 25.145,955 25.739,956 6.763,957 329.591,959 329.591,960 155.286,961 36.145,964 235.422,965 130.314,968 26.434,969 128.852,972 329.591,973 42.393,974 149.037,977 329.591,978 20.912,979 134.374,981 36.145,982 329.591,983 42.393,984 149.037,986 0.581,987 0.333,988 0.156,989 0.079,990 14,991 8,992 0.13,993 7,995 1,996 3.64,997 188.217,999 12,1000 108.096,1005 19.326,1006 8.909,1007 5.5,1009 42.393,1010 17.875,1015 2.904,1018 521.022,1019 33,1024 12.452,1028 -0.335,1031 52.345,1032 59.813,1034 0.24,1035 0.517,1036 0.706,1037 0.834,1038 0.862,1039 0.862,1040 4.745,1041 1.195,1042 5.609,1043 3.029,1044 4.263,1045 4.71,1046 2.458,1047 6.365,1048 4.188,1049 5.918,1050 1,1051 7.152,1052 2.634,1053 3.892,1054 4.35,1055 1.905,1056 7.177,1057 3.75,1058 7.187,1059 0.629,1060 8.795,1061 2.136,1062 5.814,1063 6.723,1064 3.555,1065 10.225,1066 5.656,1067 8.486,1068 0.596,1069 10.493,1070 1.507,1071 6.217,1072 7.073,1073 3.668,1074 11.806,1075 5.983,1076 9.812,1077 -0.209,1078 12.226,1079 1.372,1080 7.641,1081 8.996,1082 4.96,1083 14.377,1084 7.396,1085 11.156,1086 -0.265,1087 13.982,1088 -0.513,1089 8.389,1090 9.689,1091 5.372,1092 16.285,1093 8.071,1094 12.514,1095 -0.766,1096 15.754,1097 -0.621,1098 9.61,1099 11.394,1100 6.459,1101 18.668,1102 9.275,1103 2.971,1104 -1,1105 17.539,1106 -1.911,1107 10.523,1108 12.288,1109 7.028,1110 20.732,1111 10.122,1112 2.893,1113 9.341,1114 19.333,1115 -2,1116 11.656,1117 13.861,1118 7.994,1119 23.03,1120 11.231,1121 2.528,1122 9.119,1123 21.134,1124 3.744,1125 12.649,1126 14.885,1127 8.654,1128 25.172,1129 12.165,1130 2.364,1131 7.272,1132 22.942,1133 3.463,1134 13.745,1135 16.37,1136 9.549,1137 27.432,1138 13.23,1139 1.893,1140 6.785,1141 24.755,1142 3.153,1143 14.778,1144 17.483,1145 10.263,1146 29.613,1147 14.209,1148 1.667,1149 5.077,1150 26.572,1151 2.798,1152 15.858,1153 18.91,1154 11.116,1155 31.854,1156 15.254,1157 1.39,1158 4.455,1159 28.392,1160 2.239,1161 16.911,1162 20.084,1163 11.862,1164 34.056,1165 16.258,1166 6976,1167 10428,1168 16.414,1169 33.819,1170 38.648,1171 39.448,1172 40.036,1173 38.292,1174 38.254,1175 47.773,1176 8.163,1177 105.451,1178 36.891,1179 5.127,1180 5.8,1181 6.112,1182 5.006,1183 4.971,1184 6.744,1185 3.912,1186 16.078,1187 4.855,1188 15.418,1189 1.486,1190 1.517,1191 1.54,1192 1.473,1193 1.471,1194 1.837,1195 0.314,1196 4.056,1197 1.419,1198 3.975,1199 4.008,1200 3.908,1201 3.891,1202 7.433,1203 3.889,1204 3.914,1205 3.947,1206 3.839,1207 3.851,1208 4.821,1209 3.845,1210 3.681,1211 3.737,1212 3.591,1213 3.486,1214 4.749,1215 3.497,1216 3.581,1217 3.658,1218 3.442,1219 3.388,1220 4.356,1221 3.39,1222 3.285,1223 3.34,1224 3.16,1225 3.047,1226 4.256,1227 3.067,1228 3.177,1229 3.28,1230 2.93,1231 2.973,1232 4.086,1233 2.949,1234 3.002,1235 3.055,1236 2.814,1237 2.806,1238 3.816,1239 2.794,1240 2.959,1241 3.051,1242 2.717,1243 2.76,1244 3.78,1245 2.745,1246 0.162,1247 0.146,1248 0.243,1249 0.151,1250 0.114,1251 4.21,1252 0.144,1253 3.8,1254 0.085,1255 6.311,1256 0.359,1257 3.927,1258 0.11,1259 2.971,1260 3.744,1261 2.208,1262 9.341,1263 2.855,1264 1.931,1265 1.902,1266 2.067,1267 2.041,1268 1.277,1269 2.047,1270 1.919,1271 1.891,1272 2.043,1273 2.014,1274 1.223,1275 2.028,1276 1.63,1277 1.569,1278 1.853,1279 1.848,1280 0.98,1281 1.848,1282 1.553,1283 1.477,1284 1.805,1285 1.773,1286 0.897,1287 1.789,1288 1.234,1289 1.164,1290 1.6,1291 1.504,1292 0.677,1293 1.531,1294 1.206,1295 1.107,1296 1.574,1297 1.459,1298 0.638,1299 1.508,1300 1.001,1301 0.917,1302 1.417,1303 1.239,1304 0.502,1305 1.308,1306 0.934,1307 0.884,1308 1.362,1309 1.239,1310 0.469,1311 1.275,1312 3.97,1314 5.263,1316 6.739,1318 8.29,1320 9.877,1322 9.987,1328 0.796,1330 5.574,1332 0.312,1333 3.768,1340 31.321,1341 72.735,1342 157.056,1343 214.256,1344 253.05,1345 261.805,1346 261.805,1347 50.519,1348 6.501,1349 32.78,1350 32.78,1351 12,1352 12.062,1353 3.807,1354 3,1355 51.787,1356 98,1357 91,1358 0.257,1359 198.512,1360 346.44,1361 476.13,1362 5212,1364 18.397,1365 0.736,1366 0.631,1367 18.397,1368 15.769,1369 11.88,1370 0.457,1371 0.332,1372 8.52,1373 11.469,1374 8.077,1375 6.88,1376 11.88,1377 8.631,1378 10.685,1379 0.305,1380 0.192,1381 10.685,1382 6.73,1383 8.549,1384 0.204,1385 0.111,1386 8.549,1387 4.643,1388 6.033,1389 0.128,1390 0.055,1391 6.033,1392 2.581,1393 4.417,1394 0.083,1395 0.03,1396 4.417,1397 1.599,1398 0.408,1399 74.039,1400 0.247,1401 24.586,1402 0.688,1403 122,1404 324.761,1405 132.916,1406 315.245,1407 426.57,1408 294,1409 138,1410 310.487,1411 148.643,1412 319.526,1413 456.33,1414 295,1415 6.52}
{0 CHEMBL178770,1 1.486,2 9.667,3 3.965,4 15.721,5 88.274,6 7.567,7 0.444,8 3.885,9 3.977,10 3.474,11 3.418,12 4.971,13 3.416,14 4.45,15 4.581,16 3.897,17 3.835,18 5.578,19 3.819,20 4.673,21 4.831,22 3.911,23 3.957,24 5.707,25 3.913,26 4.769,27 4.981,28 3.716,29 3.865,30 5.776,31 3.786,32 4.597,33 4.822,34 3.623,35 3.633,36 5.705,37 3.578,38 4.37,39 4.557,40 3.395,41 3.415,42 5.514,43 3.388,44 4.108,45 4.277,46 3.388,47 3.394,48 5.295,49 3.352,50 4.197,51 4.376,52 3.286,53 3.439,54 5.379,55 3.363,56 0.043,57 0.573,58 8.607,59 4.248,60 6.856,61 5.05,62 0.46,63 0.944,64 17.424,65 7.29,66 36.611,67 8.934,68 0.263,69 1.173,70 22.236,71 9.085,72 27.715,73 11.206,74 0.476,75 1.233,76 27.342,77 9.469,78 44.404,79 12.138,80 0.433,81 1.006,82 23.568,83 7.985,84 47.531,85 10.47,86 0.586,87 0.761,88 19.229,89 5.909,90 55.376,91 6.894,92 0.299,93 0.664,94 12.983,95 5.023,96 30.205,97 6.408,98 0.4,99 0.732,100 14.524,101 5.178,102 45.909,103 6.579,104 10,105 40,106 0.259,107 0.617,108 0.796,109 0.876,110 0.892,111 0.892,112 3.229,113 0.893,114 -4.08,115 -4.03,116 -3.81,121 44.2,122 2,123 1,125 1,127 1,130 1,144 7,145 2,146 3,161 1,176 10,179 2,180 7,183 2,185 2,187 11,192 8,197 3,200 9,206 9,211 3,214 4,218 1,219 11,224 2,227 2,231 1,232 3,237 1,239 4,243 1,244 2,247 1,249 2,251 10,255 1,259 1,264 10,269 2,277 9,281 752,282 16.134,283 16.134,284 16.134,285 16.134,286 16.134,287 14.49,288 21.436,289 9.29,290 16.413,291 13.322,292 13.322,293 13.322,294 13.322,295 13.322,296 10.847,297 26.695,298 4.394,299 13.767,300 3.94,301 1.892,302 0.864,303 0.407,304 0.314,305 0.314,306 3.924,310 1,311 1,312 1,313 517,314 3.317,317 92.683,318 127.855,320 74.457,321 78.172,324 109.827,325 1.472,326 23.884,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 52.5,338 232,339 4.755,340 3.956,341 7.887,342 4.642,343 3.649,344 4.153,345 2.186,346 14.705,347 3.621,348 4.189,349 3.679,350 6.056,351 3.813,352 2.841,353 3.788,354 1.392,355 8.714,356 2.765,357 3.941,358 2.911,359 5.982,360 3.58,361 2.622,362 3.276,363 0.532,364 8.222,365 2.504,366 3.6,367 2.763,368 5.395,369 3.235,370 2.285,371 2.824,372 0.366,373 6.975,374 2.146,375 3.291,376 2.546,377 5.249,378 2.915,379 1.953,380 2.501,382 5.906,383 1.861,384 2.966,385 2.408,386 4.777,387 2.788,388 1.816,389 2.048,391 5.25,392 1.759,393 2.874,394 1.669,395 4.12,396 2.414,397 1.414,398 2.032,400 3.562,401 1.414,402 2.804,403 1.57,404 4.079,405 2.366,406 1.378,407 1.912,409 2.972,410 1.355,411 2.42,412 1.472,413 3.646,414 2.114,415 1.137,416 1.401,418 2.957,419 1.11,420 2.14,421 1.156,422 3.596,423 2.016,424 1.06,425 1.135,427 2.503,428 1.003,429 1.5,430 0.906,431 3.153,432 1.244,433 0.32,434 0.361,436 0.838,437 0.293,438 1.393,439 0.594,440 2.974,441 1.078,442 0.106,443 0.126,445 0.252,446 0.102,447 0.953,448 0.393,449 2.816,450 0.679,451 -0.273,452 -0.315,454 -0.719,455 -0.257,456 0.781,457 -0.069,458 2.431,459 0.406,460 -0.594,461 -0.703,463 -1.403,464 -0.582,465 0.61,466 -0.315,467 2.331,468 0.266,469 -0.717,470 -0.869,472 -1.883,473 -0.698,474 11.233,475 0.468,476 0.699,477 0.029,478 30.75,479 1.281,480 15,481 0.625,482 15.75,483 0.656,484 19.258,485 0.802,486 25.967,487 0.604,488 21.36,489 0.89,490 5.942,491 0.248,492 5.618,493 0.234,494 0.119,495 0.045,496 0.312,501 0.806,502 1.196,503 0.742,504 1.107,505 0.664,506 0.94,507 0.78,508 0.939,509 0.775,510 0.914,511 0.534,512 0.861,513 1.086,514 1.266,515 1.044,516 1.216,517 0.809,518 1.139,519 1.28,520 1.056,521 1.155,522 1.04,523 0.953,524 1.061,525 1.101,526 1.013,527 0.891,528 0.99,529 1.385,530 0.909,531 1.941,532 0.728,533 1.231,534 0.683,535 2.381,536 0.791,537 0.847,538 1.075,539 0.897,540 0.987,541 1.292,542 0.962,543 1.088,544 0.93,545 1.268,546 0.965,547 2.086,548 1.106,549 6,550 0.114,551 3.556,552 2.424,553 1.218,554 0.615,555 0.501,556 0.228,557 0.231,558 0.217,559 6776,560 17072,561 2.125,562 44.2,563 6,564 9,565 1,567 1,569 2,572 1.666,573 1.986,574 3.235,575 -0.342,577 1,582 63.908,583 1.486,584 3.534,585 4.562,586 5.019,587 5.112,588 5.112,589 2.62,590 4.502,591 4.562,592 3.41,593 941.05,594 7.853,595 11056.7,597 1,599 1,600 233.329,601 1.564,602 4.509,603 0.222,604 0.006,605 0.089,606 0.062,607 0.041,608 0.023,609 0.023,610 0.01,611 0.012,612 0.012,613 0.499,614 0.67,615 1,616 0.566,617 113.973,618 -0.036,619 -0.079,620 0.067,621 -0.056,622 -0.076,623 0.015,624 0.255,625 0.109,626 0.133,627 0.099,628 0.2,629 0.087,630 -0.109,631 -0.249,632 -0.123,633 -0.219,634 -0.042,635 -0.183,636 -0.179,637 -0.078,638 -0.148,639 -0.092,640 -0.055,641 -0.108,642 0.036,643 -0.07,644 0.148,645 -0.046,646 0.049,647 0.057,648 -0.27,649 0.207,650 -0.136,651 0.241,652 -0.36,653 0.107,654 0.144,655 -0.049,656 0.044,657 -0.002,658 0.092,659 -0.007,660 -0.043,661 0.14,662 -0.315,663 -0.016,664 -0.251,665 -0.181,666 2.174,667 5.153,668 0.75,669 18.083,670 1.008,671 1.118,672 2.851,673 8.129,674 0.667,675 3.332,676 3.714,677 4.025,678 4.317,679 4.5,680 4.543,681 4.71,682 4.771,683 4.787,684 4.875,685 5.912,686 0.642,687 325.39,688 3.332,689 4.905,690 5.784,691 6.696,692 7.595,693 8.513,694 9.424,695 10.346,696 11.264,697 12.19,698 2.3,705 1,715 7,720 5,722 12,737 1,739 1,741 43,743 13,744 2,745 27,747 46,748 19,749 12,750 5,751 7,756 4,757 7,763 2,764 1,766 1,767 1,770 1,772 13,773 6,777 1,782 1,786 1,790 1,793 19,794 5,795 1,796 5,802 1,808 0.5,809 4,815 1,828 2,829 2,831 1,832 1,835 1,858 1,859 2,864 2,868 24,876 2,877 1,878 3,880 1,882 1,893 9.3,896 1,897 1,898 2,901 12.083,902 8.333,903 5.097,904 2.576,907 2.2,908 1.296,909 0.976,910 3.74,911 9.644,912 3.555,913 4.143,914 4.663,915 5.2,916 5.678,917 5.782,918 6.103,919 6.356,920 6.451,921 6.682,922 1,923 39,924 8.901,926 3.891,927 0.026,929 7.733,931 17.019,933 14.408,936 2.233,937 53.583,940 1,941 211.88,942 117.848,943 18.011,945 58.145,948 117.848,949 270.024,950 18.011,951 17.65,952 25.138,953 66.693,954 36.145,955 41.615,956 18.534,957 200.109,959 211.88,960 135.859,961 58.145,964 188.338,965 70.687,966 11,967 0.36,968 42.788,969 92.711,972 211.88,973 76.155,974 117.848,977 212.239,978 33.504,979 83.984,980 18.011,981 58.145,982 211.88,983 76.155,984 117.848,986 0.596,987 0.356,988 0.193,989 0.099,990 22,991 9,992 0.065,993 3,994 2,995 1.222,996 3.64,997 202.695,998 0.222,999 18,1000 108.039,1005 15.486,1006 5.796,1007 2.693,1009 76.155,1010 13.016,1015 4.052,1017 18.011,1018 405.883,1019 34,1024 12.153,1028 -0.507,1031 43.363,1032 48.073,1034 0.274,1035 0.651,1036 0.841,1037 0.925,1038 0.942,1039 0.942,1040 4.836,1041 1.378,1042 5.82,1043 3.562,1044 4.394,1045 4.828,1046 2.637,1047 6.732,1048 4.334,1049 6.056,1050 1.137,1051 7.449,1052 2.972,1053 4.205,1054 4.705,1055 1.784,1056 8.085,1057 4.146,1058 7.391,1059 1.06,1060 9.201,1061 2.957,1062 6.125,1063 6.969,1064 3.7,1065 11.216,1066 6.025,1067 8.764,1068 0.32,1069 11.034,1070 2.503,1071 6.792,1072 7.617,1073 3.59,1074 13.487,1075 6.708,1076 10.174,1077 0.106,1078 12.924,1079 0.838,1080 8.249,1081 9.414,1082 5.007,1083 16.269,1084 8.14,1085 11.609,1086 -0.273,1087 14.857,1088 0.252,1089 9.288,1090 10.419,1091 5.289,1092 18.839,1093 9.192,1094 13.066,1095 -0.594,1096 16.822,1097 -0.719,1098 10.606,1099 12.019,1100 6.433,1101 21.548,1102 10.498,1103 3.649,1104 -0.717,1105 18.812,1106 -1.403,1107 11.795,1108 13.206,1109 6.93,1110 24.202,1111 11.693,1112 2.841,1113 14.705,1114 20.821,1115 -1.883,1116 13.079,1117 14.712,1118 7.922,1119 26.895,1120 12.97,1121 2.622,1122 8.714,1123 22.844,1124 4.153,1125 14.327,1126 15.995,1127 8.539,1128 29.574,1129 14.219,1130 2.285,1131 8.222,1132 24.877,1133 3.788,1134 15.608,1135 17.453,1136 9.444,1137 32.263,1138 15.495,1139 1.953,1140 6.975,1141 26.918,1142 3.276,1143 16.881,1144 18.791,1145 10.13,1146 34.948,1147 16.764,1148 1.816,1149 5.906,1150 28.966,1151 2.824,1152 18.166,1153 20.225,1154 10.985,1155 37.636,1156 18.043,1157 1.414,1158 5.25,1159 31.018,1160 2.501,1161 19.449,1162 21.594,1163 11.71,1164 40.324,1165 19.321,1166 6350,1167 10200,1168 18.087,1169 28.676,1170 41.522,1171 42.686,1172 42.716,1173 41.123,1174 41.163,1175 51.113,1176 8.951,1177 125.712,1178 39.865,1179 5.717,1180 5.956,1181 7.574,1182 5.733,1183 5.649,1184 7.153,1185 3.889,1186 22.9,1187 5.621,1188 10.413,1189 1.538,1190 1.581,1191 1.582,1192 1.523,1193 1.525,1194 1.893,1195 0.332,1196 4.656,1197 1.476,1198 4.056,1199 4.068,1200 4.007,1201 3.957,1202 7.435,1203 3.965,1204 3.924,1205 3.956,1206 3.862,1207 3.854,1208 4.963,1209 3.851,1210 3.661,1211 3.688,1212 3.578,1213 3.519,1214 4.759,1215 3.524,1216 3.368,1217 3.388,1218 3.316,1219 3.07,1220 4.617,1221 3.128,1222 3.169,1223 3.256,1224 2.965,1225 3.014,1226 4.256,1227 2.995,1228 3.108,1229 3.198,1230 2.897,1231 2.904,1232 3.95,1233 2.886,1234 2.979,1235 3.011,1236 2.863,1237 2.763,1238 3.897,1239 2.779,1240 2.804,1241 2.867,1242 2.671,1243 2.626,1244 3.868,1245 2.617,1246 0.176,1247 0.147,1248 0.292,1249 0.172,1250 0.135,1251 4.755,1252 0.154,1253 3.956,1254 0.081,1255 7.887,1256 0.545,1257 4.642,1258 0.134,1259 3.649,1260 4.153,1261 2.186,1262 14.705,1263 3.621,1264 1.917,1265 1.892,1266 2.036,1267 2.02,1268 1.31,1269 2.024,1270 1.891,1271 1.871,1272 1.998,1273 1.97,1274 1.135,1275 1.979,1276 1.584,1277 1.542,1278 1.792,1279 1.745,1280 0.97,1281 1.762,1282 1.306,1283 1.266,1284 1.589,1285 1.612,1286 0.787,1287 1.592,1288 1.213,1289 1.172,1290 1.553,1291 1.523,1292 0.604,1293 1.471,1294 1.183,1295 1.123,1296 1.317,1297 1.418,1298 0.386,1299 1.459,1300 0.906,1301 0.847,1302 1.244,1303 1.204,1304 0.27,1305 1.225,1306 0.796,1307 0.734,1308 1.078,1309 1.023,1310 0.148,1311 1.039,1312 4.007,1314 5.371,1315 3.045,1316 6.929,1317 5.533,1318 8.581,1319 7.735,1320 10.286,1322 4.053,1328 1.572,1329 2.765,1330 16.906,1332 -0.247,1334 -0.179,1340 27.622,1341 63.908,1342 151.973,1343 196.168,1344 215.82,1345 219.82,1346 219.82,1347 36.029,1348 7.444,1349 56.79,1350 56.79,1351 22,1352 12.697,1353 3.807,1354 3,1355 34.03,1356 86,1357 76,1358 0.195,1359 165.739,1360 293.7,1361 396.163,1362 17269,1364 16.734,1365 0.697,1366 0.569,1367 16.734,1368 13.666,1369 11.559,1370 0.428,1371 0.298,1372 7.91,1373 11.068,1374 7.678,1375 6.34,1376 11.559,1377 8.034,1378 10.975,1379 0.274,1380 0.162,1381 10.975,1382 6.475,1383 9.467,1384 0.172,1385 0.087,1386 9.467,1387 4.804,1388 8.053,1389 0.109,1390 0.045,1391 8.053,1392 3.298,1393 6.335,1394 0.071,1395 0.023,1396 6.335,1397 2.087,1398 0.305,1399 72.884,1400 0.235,1401 23.382,1402 0.532,1403 134,1404 403.275,1405 150.778,1406 376.111,1407 518.73,1408 354,1409 162,1410 388.072,1411 178.284,1412 387.293,1413 576.99,1414 364,1415 7.638}
{0 CHEMBL178792,1 1.446,2 11.154,3 4.414,4 19.485,5 97.535,6 7.213,7 0.414,8 3.997,9 4.097,10 3.544,11 3.528,12 5.047,13 3.512,14 4.574,15 4.721,16 3.966,17 3.952,18 5.656,19 3.919,20 4.838,21 5.01,22 3.984,23 4.118,24 5.822,25 4.047,26 4.922,27 5.159,28 3.824,29 4.036,30 5.877,31 3.925,32 4.777,33 5.01,34 3.673,35 3.805,36 5.811,37 3.715,38 4.486,39 4.714,40 3.443,41 3.515,42 5.5,43 3.453,44 4.208,45 4.393,46 3.482,47 3.458,48 5.382,49 3.424,50 4.37,51 4.561,52 3.446,53 3.491,54 5.609,55 3.447,56 0.02,57 0.652,58 10.518,59 4.954,60 7.831,61 6.16,62 0.446,63 1.079,64 20.848,65 8.512,66 39.626,67 10.888,68 0.259,69 1.384,70 27.582,71 10.995,72 32.513,73 14.156,74 0.325,75 1.435,76 32.064,77 11.756,78 48.403,79 16.029,80 0.471,81 1.191,82 28.529,83 9.558,84 56.311,85 12.837,86 0.477,87 0.885,88 21.69,89 6.691,90 43.163,91 8.876,92 0.277,93 0.759,94 14.891,95 5.12,96 29.605,97 6.947,98 0.468,99 0.82,100 18.605,101 5.782,102 60.265,103 7.453,104 18,105 43,106 0.246,107 0.584,108 0.746,109 0.829,110 0.836,111 0.836,112 3.304,113 0.925,114 -4.53,115 -4.46,116 -4.2,121 42.9,122 3,123 1,124 1,125 1,127 1,130 1,144 7,145 2,146 3,161 1,176 12,179 2,180 7,183 2,185 2,187 15,192 7,197 2,200 13,206 10,211 3,214 7,218 1,219 9,224 3,227 2,231 1,232 3,237 3,239 4,243 1,244 4,247 1,249 2,251 8,255 1,256 4,259 1,264 8,269 2,277 10,281 952,282 17.212,283 17.212,284 17.212,285 17.212,286 17.212,287 15.673,288 25.538,289 9.825,290 17.469,291 14.315,292 14.315,293 14.315,294 14.315,295 14.315,296 11.887,297 30.317,298 4.689,299 14.753,300 4.169,301 2.177,302 1.228,303 0.74,304 0.699,305 0.699,306 3.998,311 1,312 1,313 642,314 3.742,317 58.77,318 215.342,319 78.687,322 109.193,323 121.661,325 1.781,326 24.64,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 56.5,338 290,339 4.664,340 3.815,341 7.576,342 4.528,343 3.537,344 4.105,345 2.186,346 13.68,347 3.502,348 4.125,349 3.672,350 5.932,351 3.791,352 2.803,353 3.691,354 1.392,355 8.26,356 2.777,357 3.937,358 2.992,359 5.862,360 3.607,361 2.655,362 3.236,363 0.532,364 8.145,365 2.513,366 3.723,367 2.903,368 5.523,369 3.422,370 2.454,371 2.981,372 0.366,373 7.417,374 2.368,375 3.5,376 2.764,377 5.368,378 3.268,379 2.299,380 2.736,382 6.946,383 2.227,384 3.311,385 2.477,386 5.242,387 3.108,388 2.146,389 2.439,391 6.515,392 2.042,393 3.174,394 2.385,395 4.617,396 2.778,397 1.794,398 2.263,400 4.902,401 1.745,402 2.557,403 1.348,404 4.168,405 2.224,406 1.23,407 1.579,409 3.149,410 1.221,411 2.5,412 1.314,413 3.769,414 2.137,415 1.139,416 1.5,418 2.909,419 1.136,420 2.451,421 1.173,422 3.72,423 2,424 1,425 1.441,427 2.275,428 1,429 1.753,430 1,431 3.414,432 1.637,433 0.741,434 0.747,436 1.862,437 0.655,438 1.482,439 0.905,440 3.093,441 1.196,442 0.279,443 0.318,445 0.758,446 0.253,447 1.251,448 0.528,449 3.051,450 0.919,451 -0.046,452 -0.054,454 -0.119,455 -0.044,456 0.877,457 0.257,458 2.862,459 0.596,460 -0.38,461 -0.445,463 -1.066,464 -0.366,465 0.69,466 -0.22,467 2.415,468 0.391,469 -0.591,470 -0.671,472 -1.808,473 -0.577,474 12.233,475 0.471,476 0.832,477 0.032,478 31.75,479 1.221,480 15,481 0.577,482 16.75,483 0.644,484 22.887,485 0.88,486 28.567,487 0.583,488 22.568,489 0.868,490 5.843,491 0.225,492 6.584,493 0.253,494 0.15,495 0.041,496 0.327,501 0.801,502 1.223,503 0.79,504 1.142,505 0.685,506 0.988,507 0.762,508 0.955,509 0.788,510 0.932,511 0.508,512 0.88,513 1.099,514 1.206,515 1.099,516 1.19,517 0.831,518 1.152,519 0.938,520 1.082,521 0.963,522 1.068,523 0.773,524 1.028,525 1.221,526 1.03,527 1.014,528 0.996,529 1.437,530 0.971,531 1.515,532 0.862,533 1.028,534 0.755,535 1.633,536 0.793,537 0.889,538 1.081,539 0.899,540 0.975,541 1.303,542 0.924,543 1.584,544 0.863,545 1.212,546 0.859,547 2.804,548 0.935,549 7.5,550 0.094,551 3.333,552 2.319,553 1.557,554 0.736,555 0.562,556 0.271,557 0.321,558 0.188,559 8756,560 20251,561 2.092,562 46.9,563 10,564 9,565 1,567 1,570 2,572 1.685,573 1.938,574 3.416,575 -0.37,577 1,582 70.84,583 1.446,584 3.438,585 4.387,586 4.875,587 4.915,588 4.915,589 2.888,590 4.133,591 4.674,592 3.627,593 1178.83,594 8.065,595 14952.8,597 1,599 1,600 275.121,601 1.619,602 4.616,603 0.259,604 0.005,605 0.078,606 0.055,607 0.046,608 0.026,609 0.024,610 0.011,611 0.014,612 0.009,613 0.527,614 0.33,615 1,616 0.777,617 128.496,618 -0.023,619 -0.073,620 0.068,621 -0.05,622 -0.078,623 0.015,624 0.271,625 0.11,626 0.149,627 0.103,628 0.234,629 0.1,630 -0.118,631 -0.173,632 -0.158,633 -0.174,634 -0.07,635 -0.173,636 -0.036,637 -0.122,638 0.015,639 -0.095,640 0.053,641 -0.04,642 -0.019,643 -0.088,644 0.017,645 -0.055,646 -0.04,647 -0.019,648 -0.096,649 0.095,650 0.038,651 0.16,652 -0.154,653 0.128,654 0.158,655 0.034,656 0.073,657 -0.024,658 0.118,659 0.009,660 -0.091,661 0.18,662 -0.163,663 0.057,664 -0.222,665 -0.041,666 2.176,667 5.219,668 0.692,669 22.586,670 1.003,671 1.12,672 3.302,673 10.901,674 0.657,675 3.401,676 3.784,677 4.043,678 4.331,679 4.564,680 4.663,681 4.771,682 4.779,683 4.883,684 4.956,685 6.697,686 0.626,687 353.45,688 3.401,689 4.977,690 5.838,691 6.744,692 7.624,693 8.534,694 9.424,695 10.337,696 11.234,697 12.15,698 2,705 1,715 7,720 5,722 12,737 1,739 1,741 49,743 13,744 2,745 29,747 52,748 21,749 12,750 5,751 7,756 4,757 7,763 3,764 1,766 1,767 1,770 1,772 13,773 8,774 1,777 1,782 1,786 1,790 1,793 23,794 5,795 1,796 5,802 1,808 0.5,809 4,815 1,828 1,829 3,830 1,833 1,834 1,858 1,859 2,864 3,868 26,876 2,877 1,878 3,880 2,882 1,893 8.2,896 1,897 1,898 2,901 13.417,902 9.667,903 5.472,904 3.028,907 2.2,908 1.289,909 0.959,910 4.412,911 9.817,912 3.611,913 4.19,914 4.687,915 5.224,916 5.729,917 5.89,918 6.188,919 6.352,920 6.531,921 6.768,922 1,923 42,924 9.653,926 4.186,927 0.026,929 7.689,931 18.592,933 15.747,936 2.189,937 56.917,939 1,940 1,941 258.964,942 126.673,943 18.011,945 58.145,948 126.673,949 317.109,950 18.011,951 26.476,952 25.138,953 66.693,954 36.145,955 41.615,956 18.534,957 247.193,959 258.964,960 144.684,961 58.145,964 235.422,965 70.687,966 11,967 0.36,968 51.613,969 92.711,972 258.964,973 76.155,974 126.673,977 259.324,978 33.504,979 92.809,980 18.011,981 58.145,982 258.964,983 76.155,984 126.673,986 0.6,987 0.342,988 0.179,989 0.097,990 23,991 10,992 0.077,993 4,994 3,995 1.278,996 3.827,997 221.934,998 0.333,999 17,1000 116.211,1005 17.379,1006 6.6,1007 3.472,1009 76.155,1010 13.245,1015 4.259,1017 18.011,1018 461.793,1019 36,1024 12.219,1028 -0.51,1031 49.131,1032 54.903,1034 0.257,1035 0.612,1036 0.781,1037 0.868,1038 0.875,1039 0.875,1040 4.898,1041 1.23,1042 5.878,1043 4.902,1044 4.466,1045 4.875,1046 2.637,1047 6.753,1048 4.409,1049 6.115,1050 1.139,1051 7.484,1052 3.149,1053 4.29,1054 4.758,1055 1.784,1056 7.997,1057 4.237,1058 7.442,1059 1,1060 9.2,1061 2.909,1062 6.172,1063 6.993,1064 3.7,1065 11.06,1066 6.074,1067 8.799,1068 0.741,1069 10.987,1070 2.275,1071 6.781,1072 7.604,1073 3.59,1074 13.187,1075 6.693,1076 10.187,1077 0.279,1078 12.824,1079 1.862,1080 8.211,1081 9.393,1082 5.007,1083 15.899,1084 8.095,1085 11.598,1086 -0.046,1087 14.7,1088 0.758,1089 9.174,1090 10.348,1091 5.289,1092 18.357,1093 9.067,1094 13.026,1095 -0.38,1096 16.608,1097 -0.119,1098 10.459,1099 11.947,1100 6.433,1101 20.994,1102 10.337,1103 3.537,1104 -0.591,1105 18.54,1106 -1.066,1107 11.585,1108 13.09,1109 6.93,1110 23.561,1111 11.465,1112 2.803,1113 13.68,1114 20.492,1115 -1.808,1116 12.832,1117 14.593,1118 7.922,1119 26.181,1120 12.703,1121 2.655,1122 8.26,1123 22.461,1124 4.105,1125 14.03,1126 15.843,1127 8.539,1128 28.782,1129 13.899,1130 2.454,1131 8.145,1132 24.442,1133 3.691,1134 15.274,1135 17.296,1136 9.444,1137 31.399,1138 15.135,1139 2.299,1140 7.417,1141 26.434,1142 3.236,1143 16.505,1144 18.609,1145 10.13,1146 34.01,1147 16.36,1148 2.146,1149 6.946,1150 28.433,1151 2.981,1152 17.753,1153 20.036,1154 10.985,1155 36.626,1156 17.601,1157 1.794,1158 6.515,1159 30.438,1160 2.736,1161 18.999,1162 21.386,1163 11.71,1164 39.24,1165 18.84,1166 8246,1167 12717,1168 19.186,1169 32.199,1170 44.58,1171 45.837,1172 45.566,1173 44.053,1174 44.155,1175 54.072,1176 8.951,1177 133.637,1178 42.877,1179 5.611,1180 5.815,1181 6.99,1182 5.62,1183 5.537,1184 7.105,1185 3.889,1186 21.662,1187 5.502,1188 13.25,1189 1.537,1190 1.581,1191 1.571,1192 1.519,1193 1.523,1194 1.865,1195 0.309,1196 4.608,1197 1.479,1198 4.049,1199 4.064,1200 3.996,1201 3.951,1202 7.435,1203 3.958,1204 3.945,1205 3.976,1206 3.879,1207 3.878,1208 4.952,1209 3.873,1210 3.664,1211 3.69,1212 3.585,1213 3.519,1214 4.753,1215 3.524,1216 3.534,1217 3.598,1218 3.407,1219 3.387,1220 4.619,1221 3.377,1222 3.303,1223 3.325,1224 3.21,1225 3.008,1226 4.243,1227 3.067,1228 3.139,1229 3.204,1230 2.982,1231 2.909,1232 4.15,1233 2.915,1234 2.874,1235 3.009,1236 2.716,1237 2.735,1238 3.971,1239 2.715,1240 2.86,1241 2.929,1242 2.687,1243 2.671,1244 3.801,1245 2.664,1246 0.161,1247 0.132,1248 0.261,1249 0.156,1250 0.122,1251 4.664,1252 0.142,1253 3.815,1254 0.075,1255 7.576,1256 0.472,1257 4.528,1258 0.121,1259 3.537,1260 4.105,1261 2.186,1262 13.68,1263 3.502,1264 1.95,1265 1.932,1266 2.07,1267 2.052,1268 1.352,1269 2.053,1270 1.934,1271 1.906,1272 2.047,1273 2.022,1274 1.252,1275 2.034,1276 1.558,1277 1.511,1278 1.799,1279 1.753,1280 0.924,1281 1.764,1282 1.529,1283 1.468,1284 1.752,1285 1.685,1286 0.907,1287 1.711,1288 1.295,1289 1.267,1290 1.541,1291 1.606,1292 0.772,1293 1.576,1294 1.131,1295 1.109,1296 1.417,1297 1.452,1298 0.469,1299 1.405,1300 0.934,1301 0.821,1302 1.327,1303 1.239,1304 0.455,1305 1.308,1306 0.886,1307 0.804,1308 1.267,1309 1.188,1310 0.228,1311 1.243,1312 4.078,1314 5.442,1315 2.398,1316 6.995,1317 4.844,1318 8.637,1319 7.034,1320 10.333,1322 6.414,1328 1.431,1329 2.762,1330 16.909,1332 0.283,1334 -0.096,1340 30.675,1341 70.84,1342 168.46,1343 214.94,1344 238.856,1345 240.856,1346 240.856,1347 41.833,1348 7.617,1349 56.79,1350 56.79,1351 23,1352 12.665,1353 3.807,1354 3,1355 38.366,1356 106,1357 102,1358 0.177,1359 184.924,1360 328.3,1361 442.973,1362 21761,1364 18.311,1365 0.704,1366 0.586,1367 18.311,1368 15.243,1369 12.426,1370 0.428,1371 0.308,1372 8.821,1373 11.932,1374 8.507,1375 7.074,1376 12.426,1377 8.945,1378 12.146,1379 0.282,1380 0.176,1381 12.146,1382 7.572,1383 9.818,1384 0.175,1385 0.091,1386 9.818,1387 5.099,1388 8.359,1389 0.111,1390 0.047,1391 8.359,1392 3.516,1393 6.693,1394 0.07,1395 0.024,1396 6.693,1397 2.301,1398 0.284,1399 78.086,1400 0.228,1401 25.335,1402 0.471,1403 144,1404 413.275,1405 160.778,1406 387.188,1407 533.43,1408 364,1409 171,1410 399.072,1411 186.453,1412 399.585,1413 591.26,1414 375,1415 5.367}
{0 CHEMBL1788254,1 1.355,2 11.48,3 5.622,4 31.61,5 101.97,6 6.228,7 0.231,8 4.046,9 4.184,10 3.451,11 3.542,12 5.03,13 3.484,14 4.634,15 4.853,16 3.761,17 3.922,18 5.533,19 3.828,20 4.917,21 5.158,22 3.827,23 4.118,24 5.744,25 3.988,26 5.073,27 5.344,28 3.784,29 4.129,30 5.937,31 3.975,32 5.011,33 5.288,34 3.726,35 4.035,36 5.936,37 3.896,38 4.798,39 5.032,40 3.635,41 3.943,42 5.786,43 3.81,44 4.76,45 5.022,46 3.495,47 3.883,48 5.633,49 3.732,50 4.615,51 4.855,52 3.405,53 3.797,54 5.52,55 3.637,56 0.051,57 0.75,58 13.262,59 5.308,60 10.331,61 7.622,62 0.396,63 1.205,64 24.243,65 8.337,66 29.392,67 12.55,68 0.243,69 1.502,70 31.566,71 11.371,72 29.949,73 16.773,74 0.366,75 1.584,76 36.949,77 12.721,78 49.543,79 18.653,80 0.421,81 1.443,82 34.974,83 11.494,84 59.878,85 16.833,86 0.344,87 1.244,88 28.356,89 10.076,90 48.974,91 14.376,92 0.298,93 1.178,94 26.946,95 9.656,96 42.759,97 13.921,98 0.275,99 1.067,100 23.246,101 8.846,102 34.363,103 12.607,104 31,105 34,106 0.228,107 0.52,108 0.744,109 0.831,110 0.848,111 0.848,112 3.266,113 1.059,114 -4.54,115 -4.46,116 -4.2,121 38.2,122 1,123 6,126 2,127 1,129 2,142 1,143 1,144 4,145 1,146 1,161 1,176 10,179 3,180 7,187 11,192 6,200 6,206 13,214 5,219 9,227 4,231 1,232 8,239 8,251 11,255 2,256 3,264 12,269 1,277 7,281 965,282 16.629,283 16.629,284 16.629,285 16.629,286 16.629,287 15.568,288 20.813,289 10.117,290 16.962,291 12.768,292 12.768,293 12.768,294 12.768,295 12.768,296 11.103,297 25.836,298 4.724,299 13.281,300 4.426,301 2.686,302 1.35,303 0.832,304 0.732,305 0.732,306 3.927,312 1,313 584,314 4.183,318 190.328,325 1.821,326 18.828,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 53,338 287,339 4.15,340 3.801,341 6.339,342 3.893,343 2.954,344 3.693,345 2.208,346 9.432,347 2.771,348 3.984,349 3.127,350 5.932,351 3.762,352 2.799,353 3.162,354 1.053,355 8.308,356 2.7,357 3.738,358 2.864,359 5.58,360 3.52,361 2.573,362 2.78,363 0.655,364 7.529,365 2.429,366 3.454,367 2.683,368 5.15,369 3.155,370 2.185,371 2.527,372 0.249,373 6.23,374 2.101,375 3.324,376 2.385,377 4.825,378 2.877,379 1.903,380 2.255,381 0.13,382 5.238,383 1.843,384 3.144,385 2.055,386 3.94,387 2.441,388 1.46,389 1.887,391 3.285,392 1.426,393 2.677,394 1.73,395 3.764,396 2.365,397 1.376,398 1.729,400 3.098,401 1.356,402 2.513,403 1.314,404 3.487,405 2.17,406 1.175,407 1.488,409 2.579,410 1.167,411 2.175,412 1.041,413 3.257,414 2,415 1,416 1,418 2.136,419 1,420 2,421 1.038,422 3.247,423 1.719,424 0.749,425 0.959,427 1.553,428 0.725,429 1.759,430 1,431 2.918,432 1.599,433 0.642,434 0.687,436 1.258,437 0.606,438 1.188,439 0.653,440 2.546,441 0.788,442 -0.2,443 -0.246,445 -0.48,446 -0.195,447 1.027,448 0.003,449 2.325,450 0.711,451 -0.264,452 -0.323,454 -0.684,455 -0.255,456 0.839,457 -0.303,458 1.915,459 0.365,460 -0.593,461 -0.753,463 -0.919,464 -0.565,465 0.483,466 -0.371,467 1.753,468 0.225,469 -0.75,470 -0.826,472 -1.609,473 -0.727,474 11.967,475 0.479,476 0.579,477 0.023,478 25.25,479 1.01,480 10,481 0.4,482 15.25,483 0.61,484 25.205,485 1.008,486 28.833,487 0.524,488 18.326,489 0.733,490 4.692,491 0.188,492 7.315,493 0.293,494 0.195,496 0.276,501 0.78,502 1.553,503 0.975,504 1.33,505 0.623,506 1.194,507 0.755,508 1.061,509 0.988,510 0.996,511 0.432,512 0.999,513 1.002,514 1.172,515 1.065,516 1.152,517 0.663,518 1.113,519 1.304,520 1.027,521 1.012,522 1.011,523 1.172,524 0.987,525 1.624,526 0.834,527 0.976,528 0.814,529 1.663,530 0.827,531 1.51,532 1.082,533 1.152,534 1.096,535 1.728,536 1.097,537 1.416,538 0.882,539 1.068,540 0.911,541 1.342,542 0.952,543 1.03,544 1.09,545 1.152,546 1.168,547 0.955,548 1.183,549 5,550 0.12,551 2.667,552 1.813,553 1.133,554 0.694,555 0.468,556 0.262,557 0.213,558 0.157,559 6930,560 14456,561 1.95,562 54.5,563 6,564 14,565 1,569 9,572 1.678,573 1.807,574 3.506,575 -0.83,582 74.529,583 1.355,584 3.096,585 4.432,586 4.949,587 5.049,588 5.049,589 2.953,590 4.294,591 4.614,592 3.635,593 1090.64,594 7.971,595 13710.6,600 317.975,601 1.469,602 4.56,603 0.192,604 0.008,605 0.078,606 0.052,607 0.035,608 0.022,609 0.017,610 0.01,611 0.01,612 0.008,613 0.433,614 0.33,615 1,616 1.579,617 122.602,618 0.038,619 -0.267,620 0.055,621 -0.127,622 0.014,623 -0.051,624 0.288,625 0.102,626 0.044,627 0.037,628 0.182,629 0.021,630 -0.041,631 -0.101,632 -0.066,633 -0.126,634 0.029,635 -0.099,636 -0.063,637 -0.074,638 -0.007,639 -0.047,640 -0.022,641 -0.024,642 -0.127,643 0.092,644 0.055,645 0.118,646 -0.131,647 0.108,648 -0.074,649 -0.08,650 -0.117,651 -0.085,652 -0.182,653 -0.106,654 -0.16,655 0.087,656 -0.059,657 0.077,658 -0.144,659 0.027,660 0.02,661 -0.069,662 -0.158,663 -0.132,664 -0.034,665 -0.167,666 1.929,667 5.412,668 0.48,669 23.744,670 0.986,671 1.131,672 3.31,673 10.954,674 0.629,675 3.296,676 3.555,677 3.738,678 3.871,679 3.989,680 3.912,681 3.97,682 4.007,683 3.97,684 3.932,685 6.654,686 0.579,687 342.53,688 3.296,689 4.796,690 5.602,691 6.438,692 7.261,693 8.101,694 8.929,695 9.772,696 10.603,697 11.446,698 3.6,701 1,705 1,715 4,720 2,722 6,737 1,741 55,743 8,744 1,745 26,747 56,748 21,749 6,750 2,751 4,756 2,757 2,763 1,767 6,770 8,771 2,772 7,773 12,777 1,782 1,786 1,793 30,794 4,796 4,802 2,808 1,809 2,829 2,836 1,837 1,855 1,859 2,864 3,868 25,876 7,878 1,880 2,881 2,885 1,886 1,891 1,893 3.6,896 1,898 1,901 13.833,902 10.567,903 5.75,904 3.531,907 1.327,908 1.203,909 0.909,910 7.648,911 7.877,912 3.497,913 3.882,914 4.223,915 4.616,916 4.986,917 4.997,918 5.192,919 5.455,920 5.433,921 5.447,922 0.875,923 35,924 9.28,926 3.724,927 0.026,929 7.627,931 18.18,933 14.527,936 2.127,937 53.167,941 353.133,942 136.379,943 6.249,945 36.145,948 136.379,949 389.278,950 6.249,951 25.618,952 20.437,953 37.905,954 25.145,955 22.553,956 58.885,957 341.362,959 353.133,960 142.628,961 36.145,964 247.193,965 142.085,968 32.387,969 93.21,970 17.031,972 353.133,973 42.393,974 136.379,977 353.133,978 32.504,979 69.772,980 17.031,981 59.466,982 353.133,983 42.393,984 136.379,986 0.566,987 0.326,988 0.163,989 0.083,990 13,991 7,992 0.125,993 7,995 1,996 3.687,997 186.336,999 12,1000 112.096,1005 19.66,1006 9.726,1007 5.971,1009 42.393,1010 7.785,1015 1.749,1018 531.906,1019 32,1024 12.412,1028 -0.262,1031 54.229,1032 62.228,1034 0.234,1035 0.535,1036 0.767,1037 0.856,1038 0.873,1039 0.873,1040 4.732,1041 1.175,1042 5.565,1043 3.098,1044 4.234,1045 4.564,1046 2.511,1047 6.301,1048 4.154,1049 5.876,1050 1,1051 7.088,1052 2.579,1053 3.761,1054 4.159,1055 1.905,1056 7.06,1057 3.598,1058 7.133,1059 0.749,1060 8.712,1061 2.136,1062 5.759,1063 6.454,1064 3.582,1065 10.117,1066 5.58,1067 8.413,1068 0.642,1069 10.393,1070 1.553,1071 6.089,1072 6.819,1073 3.673,1074 11.666,1075 5.812,1076 9.722,1077 -0.2,1078 12.111,1079 1.258,1080 7.555,1081 8.64,1082 4.969,1083 14.227,1084 7.269,1085 11.047,1086 -0.264,1087 13.852,1088 -0.48,1089 8.256,1090 9.376,1091 5.375,1092 16.113,1093 7.872,1094 12.386,1095 -0.593,1096 15.611,1097 -0.684,1098 9.495,1099 10.99,1100 6.461,1101 18.482,1102 9.095,1103 2.954,1104 -0.75,1105 17.382,1106 -0.919,1107 10.376,1108 11.93,1109 7.029,1110 20.532,1111 9.887,1112 2.799,1113 9.432,1114 19.163,1115 -1.609,1116 11.513,1117 13.433,1118 7.995,1119 22.819,1120 10.997,1121 2.573,1122 8.308,1123 20.951,1124 3.693,1125 12.483,1126 14.497,1127 8.655,1128 24.953,1129 11.887,1130 2.185,1131 7.529,1132 22.746,1133 3.162,1134 13.575,1135 15.933,1136 9.55,1137 27.206,1138 12.943,1139 1.903,1140 6.23,1141 24.546,1142 2.78,1143 14.59,1144 17.076,1145 10.263,1146 29.383,1147 13.885,1148 1.46,1149 5.238,1150 26.35,1151 2.527,1152 15.664,1153 18.469,1154 11.116,1155 31.622,1156 14.914,1157 1.376,1158 3.285,1159 28.158,1160 2.255,1161 16.702,1162 19.665,1163 11.862,1164 33.825,1165 15.884,1166 7053,1167 10303,1168 16.701,1169 34.58,1170 38.76,1171 39.372,1172 39.338,1173 37.679,1174 37.634,1175 44.334,1176 8.59,1177 101.292,1178 36.249,1179 5.15,1180 5.801,1181 6.141,1182 4.972,1183 4.954,1184 6.693,1185 3.912,1186 16.164,1187 4.771,1188 14.277,1189 1.491,1190 1.514,1191 1.513,1192 1.449,1193 1.447,1194 1.705,1195 0.33,1196 3.896,1197 1.394,1198 3.968,1199 4.004,1200 3.898,1201 3.879,1202 7.433,1203 3.878,1204 3.872,1205 3.926,1206 3.75,1207 3.753,1208 5.43,1209 3.742,1210 3.708,1211 3.769,1212 3.601,1213 3.547,1214 4.813,1215 3.55,1216 3.498,1217 3.553,1218 3.401,1219 3.29,1220 4.336,1221 3.291,1222 3.376,1223 3.437,1224 3.241,1225 3.229,1226 4.287,1227 3.242,1228 3.111,1229 3.206,1230 2.938,1231 2.941,1232 4.146,1233 2.91,1234 3.105,1235 3.197,1236 2.866,1237 2.906,1238 3.911,1239 2.895,1240 3.054,1241 3.098,1242 2.86,1243 2.825,1244 3.81,1245 2.829,1246 0.16,1247 0.146,1248 0.244,1249 0.15,1250 0.114,1251 4.15,1252 0.142,1253 3.801,1254 0.085,1255 6.339,1256 0.363,1257 3.893,1258 0.107,1259 2.954,1260 3.693,1261 2.208,1262 9.432,1263 2.771,1264 1.926,1265 1.9,1266 2.096,1267 2.05,1268 1.483,1269 2.063,1270 1.874,1271 1.818,1272 2.053,1273 2.016,1274 1.289,1275 2.033,1276 1.674,1277 1.614,1278 1.875,1279 1.866,1280 1.006,1281 1.872,1282 1.421,1283 1.367,1284 1.68,1285 1.688,1286 0.878,1287 1.685,1288 1.392,1289 1.328,1290 1.655,1291 1.558,1292 0.825,1293 1.595,1294 1.153,1295 1.064,1296 1.513,1297 1.376,1298 0.753,1299 1.429,1300 1.123,1301 1.027,1302 1.489,1303 1.363,1304 0.597,1305 1.411,1306 1.013,1307 0.947,1308 1.396,1309 1.267,1310 0.497,1311 1.305,1312 3.97,1314 5.242,1316 6.703,1318 8.244,1320 9.824,1322 6.013,1328 7.3,1330 5.601,1332 0.633,1333 3.894,1337 5.376,1339 2.666,1340 31.848,1341 74.529,1342 170.269,1343 243.736,1344 272.2,1345 277.71,1346 277.71,1347 54.715,1348 6.55,1349 32.78,1350 32.78,1351 12,1352 12.012,1353 3.17,1354 2.807,1355 51.785,1356 99,1357 104,1358 0.253,1359 201.44,1360 359.98,1361 483.272,1362 5580,1364 18.234,1365 0.729,1366 0.628,1367 18.234,1368 15.702,1369 12.007,1370 0.462,1371 0.353,1372 9.075,1373 11.606,1374 8.728,1375 7.363,1376 12.007,1377 9.182,1378 10.348,1379 0.304,1380 0.209,1381 10.348,1382 7.09,1383 8.308,1384 0.203,1385 0.125,1386 8.308,1387 5.138,1388 6.193,1389 0.132,1390 0.071,1391 6.193,1392 3.323,1393 4.523,1394 0.085,1395 0.042,1396 4.523,1397 2.21,1398 0.403,1399 74.719,1400 0.245,1401 24.653,1402 0.677,1403 120,1404 310.761,1405 131.249,1406 300.86,1407 402.68,1408 280,1409 135,1410 288.839,1411 145.976,1412 295.361,1413 422.07,1414 273,1415 5.102}
{0 CHEMBL1788255,1 1.337,2 12.76,3 6.005,4 36.061,5 104.031,6 6.045,7 0.24,8 4.062,9 4.205,10 3.424,11 3.535,12 5.056,13 3.47,14 4.631,15 4.864,16 3.686,17 3.875,18 5.531,19 3.77,20 4.869,21 5.116,22 3.745,23 4.052,24 5.714,25 3.915,26 5.034,27 5.309,28 3.712,29 4.083,30 5.894,31 3.923,32 4.974,33 5.256,34 3.684,35 4.033,36 5.853,37 3.88,38 4.843,39 5.092,40 3.645,41 3.979,42 5.78,43 3.832,44 4.858,45 5.134,46 3.528,47 3.907,48 5.727,49 3.752,50 4.685,51 4.928,52 3.409,53 3.775,54 5.662,55 3.621,56 0.058,57 0.759,58 13.822,59 5.42,60 10.956,61 7.88,62 0.409,63 1.162,64 24.289,65 8.169,66 30.392,67 12.433,68 0.229,69 1.392,70 30.027,71 10.867,72 28.695,73 16.035,74 0.366,75 1.484,76 35.157,77 12.071,78 52.135,79 17.799,80 0.347,81 1.417,82 33.049,83 11.168,84 50.89,85 16.691,86 0.313,87 1.307,88 29.361,89 10.372,90 43.343,91 15.25,92 0.341,93 1.237,94 29.57,95 9.944,96 45.189,97 14.681,98 0.349,99 1.063,100 25.25,101 8.81,102 46.315,103 12.626,104 60,105 31,106 0.224,107 0.517,108 0.767,109 0.867,110 0.879,111 0.879,112 3.265,113 1.096,114 -4.93,115 -4.84,116 -4.54,121 36.8,122 2,123 5,126 2,127 2,129 1,142 1,143 1,144 4,145 1,146 1,161 1,176 10,179 3,180 6,187 10,192 5,200 6,206 11,214 6,219 8,227 4,231 1,232 9,239 6,244 2,251 7,255 2,256 5,264 8,269 1,277 7,281 1059,282 16.552,283 16.552,284 16.552,285 16.552,286 16.552,287 15.491,288 19.232,289 10.392,290 16.89,291 12.249,292 12.249,293 12.249,294 12.249,295 12.249,296 10.58,297 21.568,298 4.834,299 12.763,300 4.495,301 2.744,302 1.246,303 0.649,304 0.579,305 0.579,306 3.91,312 1,313 620,314 4.69,318 101.071,325 2.07,326 18.426,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 53,338 319,339 4.129,340 3.774,341 5.953,342 3.799,343 2.845,344 3.692,345 2.208,346 8.42,347 2.728,348 3.88,349 3.127,350 5.907,351 3.667,352 2.734,353 3.072,354 1.053,355 8.114,356 2.532,357 3.719,358 2.832,359 5.511,360 3.458,361 2.503,362 2.76,363 0.655,364 7.254,365 2.38,366 3.422,367 2.426,368 4.96,369 2.966,370 2.013,371 2.472,372 0.249,373 5.801,374 1.91,375 3.224,376 2.198,377 4.024,378 2.753,379 1.756,380 1.898,381 0.13,382 3.667,383 1.748,384 2.823,385 2.05,386 3.914,387 2.415,388 1.441,389 1.815,391 3.253,392 1.4,393 2.676,394 1.688,395 3.597,396 2.288,397 1.302,398 1.725,400 2.857,401 1.274,402 2.47,403 1.314,404 3.474,405 2.16,406 1.163,407 1.42,409 2.538,410 1.157,411 2.175,412 1.039,413 2.961,414 1.81,415 0.832,416 0.959,418 1.539,419 0.806,420 1.907,421 1.015,422 2.901,423 1.719,424 0.748,425 0.872,427 1.259,428 0.725,429 1.19,430 0.67,431 2.496,432 1.062,433 0.083,434 0.084,436 0.137,437 0.081,438 1.088,439 0.178,440 2.325,441 0.788,442 -0.202,443 -0.247,445 -0.48,446 -0.198,447 1.027,448 0.003,449 2,450 0.71,451 -0.266,452 -0.326,454 -0.682,455 -0.256,456 0.839,457 -0.303,458 1.756,459 0.365,460 -0.593,461 -0.76,463 -0.919,464 -0.565,465 0.483,466 -0.372,467 1.649,468 0.215,469 -0.758,470 -0.826,472 -1.332,473 -0.733,474 11.967,475 0.479,476 0.527,477 0.021,478 24.75,479 0.99,480 10,481 0.4,482 14.75,483 0.59,484 25.031,485 1.001,486 29.433,487 0.516,488 18.312,489 0.732,490 4.718,491 0.189,492 7.255,493 0.29,494 0.237,496 0.234,501 0.796,502 1.622,503 1.029,504 1.399,505 0.653,506 1.26,507 0.789,508 1.025,509 1.002,510 0.982,511 0.455,512 0.993,513 0.997,514 1.169,515 1.043,516 1.158,517 0.7,518 1.107,519 1.375,520 0.993,521 1.01,522 0.967,523 1.26,524 0.958,525 1.303,526 0.912,527 0.953,528 0.873,529 1.315,530 0.876,531 1.188,532 1.153,533 1.104,534 1.145,535 1.339,536 1.123,537 1.535,538 0.868,539 1.053,540 0.887,541 1.395,542 0.916,543 1.581,544 1.085,545 1.225,546 1.149,547 1.483,548 1.163,549 5,550 0.103,551 2.444,552 1.5,553 1.102,554 0.625,555 0.49,556 0.299,557 0.214,558 0.161,559 6719,560 14157,561 1.867,562 56.1,563 9,564 15,565 1,569 7,572 1.678,573 1.724,574 3.635,575 -0.83,582 76.236,583 1.337,584 3.089,585 4.587,586 5.183,587 5.254,588 5.254,589 3.113,590 4.484,591 4.607,592 3.768,593 1130.42,594 7.959,595 14661.4,600 332.475,601 1.479,602 4.553,603 0.2,604 0.006,605 0.079,606 0.047,607 0.037,608 0.021,609 0.017,610 0.012,611 0.01,612 0.008,613 0.438,614 0.33,615 0.88,616 2.695,617 124.198,618 0.042,619 -0.301,620 0.038,621 -0.158,622 0.001,623 -0.077,624 0.295,625 0.133,626 0.047,627 0.049,628 0.183,629 0.03,630 -0.02,631 -0.099,632 -0.036,633 -0.115,634 0.037,635 -0.078,636 -0.084,637 -0.042,638 0.001,639 0.002,640 -0.044,641 0.008,642 -0.081,643 0.051,644 0.054,645 0.084,646 -0.081,647 0.083,648 -0.004,649 -0.12,650 -0.083,651 -0.123,652 -0.11,653 -0.115,654 -0.145,655 0.09,656 -0.028,657 0.067,658 -0.118,659 0.038,660 -0.042,661 -0.09,662 -0.175,663 -0.143,664 -0.069,665 -0.176,666 1.967,667 5.176,668 0.24,669 27.952,670 0.984,671 1.134,672 3.702,673 13.702,674 0.62,675 3.258,676 3.466,677 3.584,678 3.664,679 3.761,680 3.738,681 3.784,682 3.807,683 3.738,684 3.584,685 7.178,686 0.568,687 344.55,688 3.258,689 4.727,690 5.501,691 6.312,692 7.109,693 7.928,694 8.736,695 9.561,696 10.375,697 11.203,698 3.5,701 1,705 1,715 4,720 2,722 6,737 1,741 57,743 8,744 1,745 25,747 57,748 21,749 6,750 2,751 4,756 1,757 1,763 2,770 6,771 2,772 7,773 12,777 1,782 1,786 1,793 32,794 4,796 4,802 2,808 1,809 2,829 1,836 1,837 1,855 1,859 1,864 4,868 25,876 7,878 1,880 1,881 2,885 1,886 1,891 1,893 3.5,896 1,898 1,901 14.5,902 11.233,903 5.972,904 3.731,907 1.35,908 1.216,909 0.889,910 10.106,911 7.612,912 3.466,913 3.818,914 4.131,915 4.512,916 4.9,917 4.927,918 5.114,919 5.363,920 5.294,921 5.184,922 0.889,923 32,924 9.255,926 3.555,927 0.026,929 7.653,931 18.021,933 13.655,936 2.153,937 53.833,941 376.675,942 144.776,943 6.249,945 36.145,948 144.776,949 412.82,950 6.249,951 34.443,952 20.008,953 37.905,954 25.145,955 22.553,956 58.885,957 364.904,959 376.675,960 151.024,961 36.145,964 294.278,965 118.543,968 40.783,969 93.21,970 17.031,972 376.675,973 42.393,974 144.776,977 376.675,978 32.076,979 78.597,980 17.031,981 59.466,982 376.675,983 42.393,984 144.776,986 0.549,987 0.306,988 0.145,989 0.074,990 9,991 6,992 0.193,993 11,995 1,996 3.696,997 172.978,999 6,1000 116.096,1005 21.381,1006 11.816,1007 8.313,1009 42.393,1010 7.726,1015 1.724,1018 563.844,1019 31,1024 12.176,1028 -0.3,1031 56.112,1032 64.643,1034 0.229,1035 0.53,1036 0.786,1037 0.889,1038 0.901,1039 0.901,1040 4.668,1041 1.163,1042 5.442,1043 2.857,1044 4.143,1045 4.5,1046 2.511,1047 6.129,1048 4.059,1049 5.803,1050 0.832,1051 6.936,1052 2.538,1053 3.611,1054 4.06,1055 1.905,1056 6.804,1057 3.438,1058 7.047,1059 0.748,1060 8.532,1061 1.539,1062 5.617,1063 6.386,1064 3.582,1065 9.828,1066 5.428,1067 8.318,1068 0.083,1069 10.185,1070 1.259,1071 5.889,1072 6.727,1073 3.673,1074 11.276,1075 5.598,1076 9.616,1077 -0.202,1078 11.874,1079 0.137,1080 7.354,1081 8.576,1082 4.969,1083 13.794,1084 7.053,1085 10.932,1086 -0.266,1087 13.585,1088 -0.48,1089 8.005,1090 9.298,1091 5.375,1092 15.566,1093 7.608,1094 12.263,1095 -0.593,1096 15.311,1097 -0.682,1098 9.234,1099 10.932,1100 6.461,1101 17.875,1102 8.819,1103 2.845,1104 -0.758,1105 17.049,1106 -0.919,1107 10.07,1108 11.864,1109 7.029,1110 19.806,1111 9.571,1112 2.734,1113 8.42,1114 18.793,1115 -1.332,1116 11.189,1117 13.382,1118 7.995,1119 22.016,1120 10.665,1121 2.503,1122 8.114,1123 20.544,1124 3.692,1125 12.118,1126 14.441,1127 8.655,1128 24.03,1129 11.522,1130 2.013,1131 7.254,1132 22.298,1133 3.072,1134 13.186,1135 15.888,1136 9.55,1137 26.191,1138 12.557,1139 1.756,1140 5.801,1141 24.057,1142 2.76,1143 14.162,1144 17.03,1145 10.263,1146 28.25,1147 13.47,1148 1.441,1149 3.667,1150 25.817,1151 2.472,1152 15.207,1153 18.43,1154 11.116,1155 30.387,1156 14.478,1157 1.302,1158 3.253,1159 27.58,1160 1.898,1161 16.207,1162 19.626,1163 11.862,1164 32.47,1165 15.422,1166 7175,1167 10567,1168 15.603,1169 35.341,1170 36.051,1171 36.628,1172 36.835,1173 34.901,1174 34.838,1175 41.541,1176 8.59,1177 89.675,1178 33.483,1179 5.063,1180 5.774,1181 5.889,1182 4.873,1183 4.845,1184 6.692,1185 3.912,1186 14.578,1187 4.728,1188 16.049,1189 1.442,1190 1.465,1191 1.473,1192 1.396,1193 1.394,1194 1.662,1195 0.344,1196 3.587,1197 1.339,1198 3.959,1199 3.991,1200 3.892,1201 3.876,1202 7.433,1203 3.874,1204 3.776,1205 3.842,1206 3.642,1207 3.632,1208 5.43,1209 3.617,1210 3.709,1211 3.77,1212 3.596,1213 3.547,1214 4.812,1215 3.551,1216 3.579,1217 3.649,1218 3.444,1219 3.365,1220 4.311,1221 3.374,1222 3.383,1223 3.442,1224 3.248,1225 3.282,1226 4.261,1227 3.266,1228 3.294,1229 3.37,1230 3.112,1231 3.078,1232 4.158,1233 3.079,1234 3.101,1235 3.197,1236 2.896,1237 2.903,1238 4.026,1239 2.887,1240 3.031,1241 3.085,1242 2.83,1243 2.799,1244 3.811,1245 2.793,1246 0.165,1247 0.151,1248 0.238,1249 0.152,1250 0.114,1251 4.129,1252 0.148,1253 3.774,1254 0.088,1255 5.953,1256 0.337,1257 3.799,1258 0.109,1259 2.845,1260 3.692,1261 2.208,1262 8.42,1263 2.728,1264 1.925,1265 1.899,1266 2.054,1267 2.033,1268 1.358,1269 2.04,1270 1.77,1271 1.705,1272 2.026,1273 1.951,1274 1.289,1275 1.977,1276 1.675,1277 1.614,1278 1.876,1279 1.867,1280 1.058,1281 1.874,1282 1.542,1283 1.469,1284 1.819,1285 1.781,1286 1.005,1287 1.796,1288 1.404,1289 1.352,1290 1.657,1291 1.565,1292 0.754,1293 1.599,1294 1.279,1295 1.201,1296 1.619,1297 1.531,1298 0.737,1299 1.567,1300 1.123,1301 1.026,1302 1.489,1303 1.363,1304 0.535,1305 1.411,1306 1.003,1307 0.927,1308 1.367,1309 1.265,1310 0.497,1311 1.281,1312 3.932,1314 5.165,1316 6.575,1318 8.068,1320 9.606,1322 8.118,1328 6.764,1330 5.504,1332 0.322,1333 3.772,1337 5.365,1339 2.66,1340 32.374,1341 76.236,1342 176.093,1343 261.455,1344 295.455,1345 299.455,1346 299.455,1347 71.893,1348 6.261,1349 32.78,1350 32.78,1351 6,1352 11.781,1353 3.17,1354 2.807,1355 71.939,1356 105,1357 125,1358 0.33,1359 208.833,1360 372.34,1361 501.312,1362 3780,1364 18.656,1365 0.746,1366 0.645,1367 18.656,1368 16.125,1369 11.973,1370 0.479,1371 0.365,1372 9.022,1373 11.566,1374 8.62,1375 7.375,1376 11.973,1377 9.131,1378 9.917,1379 0.32,1380 0.215,1381 9.917,1382 6.67,1383 7.501,1384 0.214,1385 0.125,1386 7.501,1387 4.387,1388 5.264,1389 0.139,1390 0.068,1391 5.264,1392 2.579,1393 3.733,1394 0.089,1395 0.037,1396 3.733,1397 1.57,1398 0.532,1399 74.549,1400 0.253,1401 24.991,1402 0.863,1403 112,1404 302.761,1405 122.916,1406 293.143,1407 387.84,1408 272,1409 122,1410 273.487,1411 132.643,1412 280.7,1413 397.38,1414 258,1415 5.699}
{0 CHEMBL1788296,1 1.496,2 7.294,3 1.814,4 3.29,5 66.462,6 6.695,7 0.333,8 3.634,9 3.767,10 3.1,11 3.11,12 4.686,13 3.081,14 4.191,15 4.389,16 3.454,17 3.502,18 5.233,19 3.442,20 4.409,21 4.63,22 3.458,23 3.603,24 5.402,25 3.517,26 4.452,27 4.68,28 3.267,29 3.481,30 5.534,31 3.378,32 4.289,33 4.559,34 3.066,35 3.223,36 5.316,37 3.123,38 3.899,39 4.096,40 2.883,41 3.082,42 4.921,43 2.998,44 3.958,45 4.207,46 2.856,47 3.086,48 5.015,49 2.951,50 3.932,51 4.2,52 2.507,53 2.973,54 4.852,55 2.81,56 0.024,57 0.495,58 8.189,59 3.19,60 7.315,61 4.518,62 0.306,63 0.768,64 15.156,65 5.247,66 24.251,67 7.689,68 0.14,69 0.88,70 18.892,71 6.488,72 21.678,73 9.456,74 0.291,75 0.809,76 20.518,77 6.184,78 48.809,79 8.932,80 0.332,81 0.641,82 17.77,83 4.911,84 43.694,85 7.357,86 0.168,87 0.511,88 11.515,89 3.691,90 20.156,91 5.254,92 0.15,93 0.541,94 12.033,95 4.138,96 27.378,97 6.157,98 0.203,99 0.495,100 12.089,101 3.522,102 29.811,103 5.438,104 21,105 25,106 0.281,107 0.633,108 0.844,109 0.87,110 0.87,111 0.87,112 2.908,113 0.988,114 -3.08,115 -3.08,116 -2.97,121 37.1,122 1,123 2,126 1,127 1,129 1,144 3,145 2,146 1,161 1,165 1,166 1,167 1,176 6,179 3,180 3,185 2,187 8,189 2,192 2,197 3,200 6,203 3,206 7,211 1,214 1,216 1,219 6,221 1,222 1,224 1,229 1,232 2,239 2,244 4,246 2,247 2,251 2,264 1,274 1,277 2,279 1,281 298,282 11.232,283 11.232,284 11.232,285 11.232,286 11.232,287 10.402,288 17.214,289 6.463,290 11.504,291 8.766,292 8.766,293 8.766,294 8.766,295 8.766,296 7.37,297 21.78,298 2.962,299 9.147,300 3.633,301 1.76,302 0.636,303 0.5,304 0.5,305 0.5,306 3.555,311 1,312 1,313 256,314 3.162,317 38.114,318 42.078,321 66.881,325 1.135,326 16.702,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 37,338 124,339 4.371,340 3.774,341 6.498,342 4.063,343 3.074,344 3.976,345 2.208,346 10.131,347 3.042,348 3.937,349 3.32,350 5.909,351 3.662,352 2.734,353 3.158,354 0.655,355 8.124,356 2.515,357 3.518,358 2.601,359 5.236,360 3.195,361 2.247,362 2.765,363 0.522,364 6.508,365 2.126,366 3.088,367 2.171,368 4.946,369 2.834,370 1.853,371 2.229,372 0.13,373 5.399,374 1.814,375 2.536,376 2.129,377 4.068,378 2.281,379 1.31,380 1.505,382 3.364,383 1.262,384 2.475,385 1.342,386 3.831,387 2.173,388 1.183,389 1.434,391 2.852,392 1.159,393 1.915,394 0.952,395 3.227,396 1.692,397 0.705,398 0.825,400 1.624,401 0.694,402 1.208,403 0.63,404 2.737,405 1.134,406 0.177,407 0.18,409 0.245,410 0.168,411 1.163,412 0.374,413 2.278,414 0.805,415 -0.168,416 -0.204,418 -0.391,419 -0.16,420 0.623,421 -0.169,422 2,423 0.285,424 -0.685,425 -0.797,427 -1.688,428 -0.657,429 0.577,430 -0.538,431 2,432 0.141,433 -0.858,434 -1.158,436 -2.589,437 -0.855,438 -0.012,439 -0.775,440 1.686,441 -0.21,442 -1.189,443 -1.348,445 -2.827,446 -1.156,447 -0.2,448 -0.97,449 1.36,450 -0.374,451 -1.309,452 -1.429,454 -3.077,455 -1.223,456 -0.46,457 -1.245,458 1.265,459 -0.62,460 -1.57,461 -1.857,463 -4.302,464 -1.499,465 -0.5,466 -1.378,467 1.044,468 -0.729,469 -1.716,470 -1.903,471 -0.4,472 -4.909,473 -1.619,474 7.967,475 0.469,476 0.473,477 0.028,478 18.75,479 1.103,480 8,481 0.471,482 10.75,483 0.632,484 13.285,485 0.781,486 19.633,487 0.561,488 12.222,489 0.719,490 3.623,491 0.213,492 4.49,493 0.264,494 0.218,496 0.364,501 0.83,502 1.415,503 0.898,504 1.23,505 0.739,506 1.087,507 0.579,508 0.941,509 0.832,510 0.92,511 0.467,512 0.905,513 0.969,514 1.173,515 0.966,516 1.161,517 0.747,518 1.072,519 1.658,520 1.115,521 1.221,522 1.108,523 1.622,524 1.108,525 1.525,526 0.78,527 0.956,528 0.741,529 1.524,530 0.764,531 1.657,532 1.125,533 1.287,534 1.081,535 1.31,536 1.131,537 0.579,538 1.162,539 0.953,540 1.209,541 0.929,542 1.157,543 1.347,544 0.894,545 1.292,546 0.914,547 1.791,548 1.064,549 4,551 2.444,552 1.229,553 0.768,554 0.372,555 0.31,556 0.259,557 0.108,558 0.025,559 2181,560 5183,561 1.96,562 51.4,563 2,564 9,567 2,569 5,572 1.568,573 1.789,574 2.899,575 0.411,577 1,578 1,579 1,582 52.361,583 1.496,584 3.369,585 4.493,586 4.629,587 4.629,588 4.629,589 2.278,590 3.852,591 4.061,592 3.009,593 409.159,594 6.86,595 3704.19,597 1,599 1,600 179.525,601 1.549,602 3.989,603 0.222,605 0.098,606 0.051,607 0.043,608 0.025,609 0.024,610 0.022,611 0.013,612 0.008,613 0.506,614 0.83,615 1,616 1.693,617 70.265,618 -0.049,619 -0.116,620 0.038,621 -0.052,622 -0.094,623 0.003,624 0.322,625 0.212,626 0.132,627 0.137,628 0.186,629 0.113,630 -0.044,631 -0.125,632 -0.006,633 -0.128,634 0.022,635 -0.065,636 -0.231,637 -0.177,638 -0.195,639 -0.15,640 -0.172,641 -0.168,642 -0.091,643 0.079,644 0.086,645 0.147,646 -0.08,647 0.142,648 -0.301,649 -0.088,650 -0.275,651 -0.066,652 -0.233,653 -0.158,654 0.183,655 -0.158,656 -0.013,657 -0.208,658 0.145,659 -0.161,660 -0.284,661 0.07,662 -0.307,663 0.004,664 -0.262,665 -0.133,666 2.001,667 4.598,668 0.529,669 10.505,670 0.998,671 1.135,672 1.855,673 3.44,674 0.629,675 2.944,676 3.258,677 3.497,678 3.664,679 3.784,680 3.784,681 3.892,682 3.951,683 3.664,684 3.367,685 4.544,686 0.591,687 234.33,688 2.944,689 4.466,690 5.303,691 6.168,692 7.026,693 7.895,694 8.76,695 9.632,696 10.502,697 11.376,698 5.7,699 1,705 1,715 3,720 3,722 6,737 1,741 35,743 7,744 1,745 18,747 36,748 13,749 6,750 3,751 3,756 2,757 3,763 1,767 3,770 3,772 7,773 6,777 1,782 1,786 1,790 1,793 18,794 4,795 2,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,851 1,859 1,864 2,868 17,869 1,876 3,878 1,880 1,881 1,893 5.7,896 1,898 1,901 9.5,902 6.7,903 3.833,904 2.218,907 1.303,908 1.216,909 0.936,910 3.574,911 7.324,912 3.135,913 3.651,914 4.131,915 4.589,916 5.04,917 5.171,918 5.437,919 5.586,920 5.246,921 4.9,922 0.8,923 24,924 6.293,926 2.6,927 0.026,929 7.794,931 12.069,933 9.724,936 2.294,937 39,938 0.002,941 188.338,942 71.202,943 36.022,945 36.145,948 71.202,949 224.482,950 36.022,951 17.222,952 43.196,953 28.429,954 25.145,955 22.614,956 6.763,957 188.338,959 188.338,960 107.224,961 36.145,964 129.482,965 95,968 52.021,969 55.202,972 188.338,973 72.166,974 71.202,977 188.338,978 25.552,979 48.775,981 69.042,982 188.338,983 72.166,984 71.202,986 0.584,987 0.349,988 0.164,989 0.079,990 12,991 6,992 0.083,993 3,994 1,995 1.222,996 2.888,997 113.566,998 0.222,999 9,1000 69.487,1005 12.242,1006 4.963,1007 2.548,1009 72.166,1010 5.712,1015 2.946,1017 32.897,1018 331.706,1019 22,1024 11.598,1028 -0.334,1031 34.927,1032 39.737,1034 0.292,1035 0.657,1036 0.876,1037 0.902,1038 0.902,1039 0.902,1040 4.376,1041 0.177,1042 5.303,1043 1.624,1044 3.932,1045 4.331,1046 2.372,1047 6.103,1048 3.856,1049 5.558,1050 -0.168,1051 6.87,1052 0.245,1053 3.611,1054 4.182,1055 1.847,1056 7.002,1057 3.489,1058 6.855,1059 -0.685,1060 8.533,1061 -0.391,1062 5.525,1063 6.407,1064 3.532,1065 10.053,1066 5.379,1067 8.186,1068 -0.858,1069 10.25,1070 -1.688,1071 5.994,1072 7.031,1073 3.656,1074 11.751,1075 5.814,1076 9.548,1077 -1.189,1078 11.999,1079 -2.589,1080 7.407,1081 8.796,1082 4.956,1083 14.324,1084 7.21,1085 10.931,1086 -1.309,1087 13.771,1088 -2.827,1089 8.223,1090 9.769,1091 5.37,1092 16.362,1093 8.007,1094 12.329,1095 -1.57,1096 15.56,1097 -3.077,1098 9.444,1099 11.345,1100 6.458,1101 18.764,1102 9.216,1103 3.074,1104 -1.716,1105 17.362,1106 -4.302,1107 10.417,1108 12.497,1109 7.028,1110 20.954,1111 10.179,1112 2.734,1113 10.131,1114 19.174,1115 -4.909,1116 11.563,1117 13.983,1118 7.994,1119 23.293,1120 11.318,1121 2.247,1122 8.124,1123 20.994,1124 3.976,1125 12.607,1126 15.233,1127 8.654,1128 25.55,1129 12.357,1130 1.853,1131 6.508,1132 22.821,1133 3.158,1134 13.726,1135 16.671,1136 9.549,1137 27.869,1138 13.471,1139 1.31,1140 5.399,1141 24.653,1142 2.765,1143 14.804,1144 17.977,1145 10.263,1146 30.156,1147 14.546,1148 1.183,1149 3.364,1150 26.491,1151 2.229,1152 15.915,1153 19.389,1154 11.116,1155 32.468,1156 15.653,1157 0.705,1158 2.852,1159 28.332,1160 1.505,1161 17.009,1162 20.726,1163 11.862,1164 34.769,1165 16.744,1166 2282,1167 3596,1168 11.444,1169 22.012,1170 26.571,1171 27.545,1172 28.539,1173 26.599,1174 26.563,1175 32.145,1176 7.029,1177 76.496,1178 25.558,1179 5.245,1180 5.774,1181 6.041,1182 5.133,1183 5.074,1184 6.976,1185 3.912,1186 16.656,1187 5.042,1188 9.628,1189 1.476,1190 1.53,1191 1.586,1192 1.478,1193 1.476,1194 1.786,1195 0.39,1196 4.25,1197 1.42,1198 4.025,1199 4.053,1200 3.965,1201 3.958,1202 7.433,1203 3.955,1204 3.691,1205 3.754,1206 3.597,1207 3.446,1208 5.035,1209 3.468,1210 3.467,1211 3.523,1212 3.334,1213 3.322,1214 4.742,1215 3.315,1216 3.201,1217 3.28,1218 3.029,1219 2.956,1220 4.277,1221 2.961,1222 3.061,1223 3.159,1224 2.869,1225 2.87,1226 4.112,1227 2.858,1228 2.929,1229 2.983,1230 2.694,1231 2.62,1232 3.751,1233 2.641,1234 2.717,1235 2.815,1236 2.506,1237 2.461,1238 3.698,1239 2.457,1240 2.512,1241 2.586,1242 2.362,1243 2.344,1244 3.51,1245 2.34,1246 0.243,1247 0.21,1248 0.361,1249 0.226,1250 0.171,1251 4.371,1252 0.221,1253 3.774,1254 0.123,1255 6.498,1256 0.563,1257 4.063,1258 0.169,1259 3.074,1260 3.976,1261 2.208,1262 10.131,1263 3.042,1264 1.891,1265 1.874,1266 1.985,1267 1.985,1268 1.175,1269 1.982,1270 1.604,1271 1.53,1272 1.872,1273 1.856,1274 1.143,1275 1.862,1276 1.579,1277 1.513,1278 1.827,1279 1.77,1280 1.038,1281 1.794,1282 1.198,1283 1.133,1284 1.569,1285 1.482,1286 0.623,1287 1.509,1288 1.09,1289 1.013,1290 1.356,1291 1.352,1292 0.469,1293 1.362,1294 0.843,1295 0.793,1296 1.102,1297 1.169,1298 0.164,1299 1.141,1300 0.714,1301 0.657,1302 1.027,1303 0.966,1304 0.132,1305 1.001,1306 0.512,1307 0.372,1308 0.961,1309 0.867,1311 0.904,1312 3.611,1314 4.92,1315 2.398,1316 6.418,1317 4.727,1318 7.999,1319 6.804,1320 9.624,1322 3.612,1326 5.981,1328 2.616,1330 5.272,1332 0.076,1333 1.521,1340 20.687,1341 52.361,1342 117.909,1343 157.26,1344 162.015,1345 162.015,1346 162.015,1347 27.157,1348 6.021,1349 55.56,1350 55.56,1351 11,1352 11.918,1353 3,1354 2.322,1355 28.494,1356 46,1357 45,1358 0.316,1359 130.556,1360 226.86,1361 310.316,1362 2498,1364 12.414,1365 0.73,1366 0.604,1367 12.414,1368 10.272,1369 8.113,1370 0.451,1371 0.329,1372 5.842,1373 7.777,1374 5.647,1375 4.725,1376 8.113,1377 5.928,1378 7.256,1379 0.29,1380 0.176,1381 7.256,1382 4.388,1383 6.201,1384 0.194,1385 0.101,1386 6.201,1387 3.233,1388 4.48,1389 0.118,1390 0.052,1391 4.48,1392 1.984,1393 3.29,1394 0.077,1395 0.028,1396 3.29,1397 1.197,1398 0.482,1399 51.022,1400 0.296,1401 17.052,1402 0.898,1403 86,1404 248.428,1405 95.862,1406 236.326,1407 319.61,1408 220,1409 100,1410 235.008,1411 109.144,1412 236.457,1413 345.26,1414 221,1415 5.212}
{0 CHEMBL1788298,1 1.489,2 8.474,3 3.089,4 9.542,5 74.069,6 6.982,7 0.3,8 3.686,9 3.81,10 3.193,11 3.186,12 4.791,13 3.162,14 4.228,15 4.423,16 3.519,17 3.555,18 5.29,19 3.504,20 4.421,21 4.618,22 3.532,23 3.678,24 5.456,25 3.593,26 4.537,27 4.773,28 3.388,29 3.621,30 5.544,31 3.519,32 4.338,33 4.575,34 3.323,35 3.515,36 5.339,37 3.41,38 4.222,39 4.439,40 3.177,41 3.426,42 5.263,43 3.318,44 4.181,45 4.433,46 3.056,47 3.279,48 5.225,49 3.151,50 3.979,51 4.228,52 2.771,53 3.047,54 5.038,55 2.927,56 0.015,57 0.518,58 8.1,59 3.333,60 8.038,61 4.545,62 0.33,63 0.815,64 15.351,65 5.233,66 25.632,67 7.528,68 0.098,69 0.937,70 18.423,71 7.037,72 24.514,73 9.729,74 0.351,75 0.939,76 22.354,77 7.166,78 53.925,79 9.905,80 0.2,81 0.819,82 17.607,83 6.295,84 28.526,85 8.94,86 0.17,87 0.73,88 15.568,89 5.651,90 28.843,91 7.801,92 0.204,93 0.679,94 15.268,95 5.33,96 31.449,97 7.624,98 0.177,99 0.552,100 12.62,101 3.869,102 35.089,103 5.627,104 29,105 27,106 0.273,107 0.649,108 0.814,109 0.838,110 0.838,111 0.838,112 3.01,113 0.946,114 -3.52,115 -3.49,116 -3.34,121 40.5,123 2,126 2,127 1,129 1,142 1,143 1,144 3,145 2,146 1,161 1,176 7,179 3,180 2,185 3,187 8,192 2,197 4,200 6,206 5,211 1,214 3,219 6,222 1,224 1,227 5,232 2,239 4,244 5,247 2,251 2,256 1,264 1,269 2,281 423,282 12.646,283 12.646,284 12.646,285 12.646,286 12.646,287 11.609,288 18.515,289 7.619,290 12.929,291 9.821,292 9.821,293 9.821,294 9.821,295 9.821,296 8.071,297 22.53,298 3.565,299 10.249,300 3.721,301 1.665,302 0.764,303 0.635,304 0.635,305 0.635,306 3.665,310 1,311 1,312 1,313 325,314 3.464,317 42.814,318 48.202,321 76.279,325 1.391,326 16.951,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 41,338 161,339 4.382,340 3.763,341 6.547,342 4.083,343 3.096,344 3.98,345 2.208,346 10.364,347 3.058,348 3.916,349 3.357,350 5.808,351 3.624,352 2.697,353 3.146,354 0.911,355 7.845,356 2.478,357 3.542,358 2.642,359 5.24,360 3.201,361 2.249,362 2.754,363 0.655,364 6.417,365 2.137,366 3.473,367 2.485,368 5.083,369 2.931,370 1.965,371 2.328,372 0.44,373 5.882,374 1.894,375 3.139,376 2.13,377 4.164,378 2.438,379 1.456,380 2.006,381 0.13,382 3.554,383 1.427,384 2.578,385 1.977,386 3.543,387 2.212,388 1.228,389 1.523,391 2.623,392 1.206,393 2.323,394 1.375,395 3.439,396 2.005,397 1.048,398 1.227,400 2.374,401 0.986,402 2.016,403 0.995,404 3.186,405 1.716,406 0.728,407 0.874,409 1.604,410 0.717,411 1.697,412 0.665,413 2.543,414 1.165,415 0.201,416 0.269,418 0.344,419 0.193,420 1.141,421 0.412,422 2.435,423 0.741,424 -0.224,425 -0.285,427 -0.526,428 -0.213,429 0.618,430 -0.268,431 2.144,432 0.205,433 -0.775,434 -1,436 -1.675,437 -0.752,438 0.579,439 -0.519,440 2,441 0.141,442 -0.858,443 -1.004,445 -2,446 -0.855,447 0.164,448 -0.6,449 1.684,450 -0.1,451 -1,452 -1.16,454 -2.403,455 -0.9,457 -0.781,458 1.364,459 -0.148,460 -1.138,461 -1.459,463 -2.708,464 -1.118,465 -0.234,466 -0.929,467 1.151,468 -0.484,469 -1.453,470 -1.801,472 -3.889,473 -1.421,474 8.967,475 0.472,476 0.473,477 0.025,478 22,479 1.158,480 10,481 0.526,482 12,483 0.632,484 14.193,485 0.747,486 21.033,487 0.568,488 15.276,489 0.804,490 4.525,491 0.238,492 4.588,493 0.241,494 0.204,496 0.323,501 0.805,502 1.438,503 0.847,504 1.202,505 0.632,506 1.051,507 0.708,508 0.846,509 0.875,510 0.819,511 0.459,512 0.843,513 0.95,514 1.316,515 1.027,516 1.297,517 0.713,518 1.195,519 1.672,520 0.872,521 1.145,522 0.857,523 1.527,524 0.921,525 0.891,526 0.996,527 0.925,528 1.009,529 0.931,530 0.981,531 1.224,532 1.067,533 1.126,534 1.082,535 1.128,536 1.097,537 0.842,538 1.017,539 0.953,540 1.066,541 1.101,542 1.041,543 1.422,544 1.006,545 1.196,546 0.969,547 1.755,548 1.031,549 4,550 0.033,551 2.222,552 1.104,553 0.893,554 0.479,555 0.426,556 0.318,557 0.157,558 0.06,559 2959,560 8037,561 1.965,562 48.6,563 2,564 12,565 1,567 1,569 2,572 1.603,573 1.81,574 3.088,575 -0.301,577 1,579 1,582 55.088,583 1.489,584 3.544,585 4.446,586 4.574,587 4.574,588 4.574,589 2.505,590 4.037,591 4.213,592 3.203,593 547.749,594 7.183,595 5409.04,596 1,597 1,599 1,600 192.75,601 1.509,602 4.159,603 0.2,604 0.008,605 0.082,606 0.042,607 0.041,608 0.023,609 0.024,610 0.021,611 0.014,612 0.012,613 0.468,614 0.67,615 1,616 1.722,617 82.632,618 -0.022,619 -0.226,620 0.048,621 -0.11,622 -0.031,623 -0.034,624 0.278,625 0.291,626 0.086,627 0.166,628 0.165,629 0.116,630 -0.031,631 -0.289,632 -0.087,633 -0.268,634 0.033,635 -0.198,636 -0.262,637 0.055,638 -0.118,639 0.09,640 -0.207,641 0.017,642 0.041,643 -0.024,644 0.039,645 -0.021,646 -0.01,647 0.004,648 -0.161,649 -0.089,650 -0.159,651 -0.079,652 -0.184,653 -0.116,654 0.119,655 -0.077,656 0.024,657 -0.102,658 -0.011,659 -0.068,660 -0.225,661 -0.037,662 -0.188,663 -0.049,664 -0.166,665 -0.102,666 2.036,667 4.528,668 0.474,669 15.069,670 0.998,671 1.128,672 2.289,673 5.238,674 0.649,675 3.045,676 3.332,677 3.555,678 3.761,679 3.951,680 4.007,681 4.127,682 4.205,683 3.97,684 3.807,685 5.057,686 0.613,687 258.35,688 3.045,689 4.554,690 5.38,691 6.24,692 7.098,693 7.968,694 8.838,695 9.714,696 10.59,697 11.47,698 5.4,700 1,705 1,715 3,720 3,722 6,737 1,741 37,743 8,744 1,745 20,747 38,748 15,749 6,750 3,751 3,756 2,757 3,767 3,770 3,771 2,772 7,773 6,777 1,782 1,786 1,789 1,790 1,793 18,794 4,795 1,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,836 1,837 1,853 1,859 1,864 2,868 19,876 3,877 1,878 1,880 1,881 1,885 1,886 1,891 1,893 5.4,896 1,898 1,901 10.5,902 7.2,903 4.333,904 2.124,907 1.495,908 1.237,909 0.93,910 4.336,911 7.788,912 3.296,913 3.75,914 4.193,915 4.648,916 5.138,917 5.326,918 5.622,919 5.855,920 5.659,921 5.653,922 0.833,923 26,924 6.993,926 2.837,927 0.026,929 7.816,931 13.334,933 10.533,936 2.316,937 44,938 0.001,941 200.109,942 111.125,943 21.135,945 36.145,948 111.125,949 236.254,950 21.135,951 16.793,952 10.299,953 46.439,954 25.145,955 22.614,956 58.885,957 188.338,959 200.109,960 132.26,961 36.145,964 176.567,965 59.687,968 28.31,969 86.92,970 17.031,972 200.109,973 57.28,974 111.125,977 200.109,978 25.552,979 48.346,980 35.041,981 59.466,982 200.109,983 57.28,984 111.125,986 0.57,987 0.324,988 0.159,989 0.092,990 12,991 6,992 0.105,993 4,994 1,995 1.222,996 3.103,997 131.383,998 0.222,999 9,1000 78.711,1005 13.762,1006 5.987,1007 3.212,1009 57.28,1010 5.785,1015 3.047,1017 18.011,1018 368.514,1019 26,1024 11.528,1028 -0.369,1031 36.927,1032 41.737,1034 0.286,1035 0.68,1036 0.853,1037 0.878,1038 0.878,1039 0.878,1040 4.538,1041 0.728,1042 5.361,1043 2.374,1044 4.007,1045 4.431,1046 2.503,1047 6.146,1048 3.929,1049 5.721,1050 0.201,1051 6.911,1052 1.604,1053 3.611,1054 4.182,1055 1.847,1056 7.024,1057 3.489,1058 7.009,1059 -0.224,1060 8.562,1061 0.344,1062 5.572,1063 6.465,1064 3.569,1065 10.095,1066 5.423,1067 8.327,1068 -0.775,1069 10.271,1070 -0.526,1071 5.994,1072 7.031,1073 3.656,1074 11.809,1075 5.816,1076 9.675,1077 -0.858,1078 12.018,1079 -1.675,1080 7.438,1081 8.822,1082 4.964,1083 14.396,1084 7.24,1085 11.043,1086 -1,1087 13.789,1088 -2,1089 8.23,1090 9.771,1091 5.37,1092 16.465,1093 8.018,1094 12.428,1095 -1.138,1096 15.579,1097 -2.403,1098 9.47,1099 11.357,1100 6.459,1101 18.887,1102 9.244,1103 3.096,1104 -1.453,1105 17.384,1106 -2.708,1107 10.435,1108 12.502,1109 7.028,1110 21.11,1111 10.202,1112 2.697,1113 10.364,1114 19.199,1115 -3.889,1116 11.594,1117 13.992,1118 7.994,1119 23.474,1120 11.352,1121 2.249,1122 7.845,1123 21.024,1124 3.98,1125 12.64,1126 15.24,1127 8.654,1128 25.763,1129 12.394,1130 1.965,1131 6.417,1132 22.856,1133 3.146,1134 13.769,1135 16.681,1136 9.549,1137 28.107,1138 13.517,1139 1.456,1140 5.882,1141 24.695,1142 2.754,1143 14.852,1144 17.987,1145 10.263,1146 30.423,1147 14.597,1148 1.228,1149 3.554,1150 26.54,1151 2.328,1152 15.972,1153 19.401,1154 11.116,1155 32.762,1156 15.712,1157 1.048,1158 2.623,1159 28.389,1160 2.006,1161 17.075,1162 20.74,1163 11.862,1164 35.09,1165 16.81,1166 3108,1167 5188,1168 12.83,1169 24.012,1170 30.732,1171 30.717,1172 30.819,1173 29.383,1174 29.334,1175 36.217,1176 8.689,1177 82.016,1178 28.192,1179 5.269,1180 5.763,1181 6.409,1182 5.143,1183 5.096,1184 6.98,1185 3.912,1186 17.023,1187 5.058,1188 10.756,1189 1.537,1190 1.536,1191 1.541,1192 1.469,1193 1.467,1194 1.811,1195 0.434,1196 4.101,1197 1.41,1198 4.031,1199 4.06,1200 3.971,1201 3.962,1202 7.433,1203 3.96,1204 3.653,1205 3.709,1206 3.573,1207 3.447,1208 5.432,1209 3.455,1210 3.554,1211 3.618,1212 3.448,1213 3.356,1214 4.811,1215 3.38,1216 3.378,1217 3.433,1218 3.246,1219 3.251,1220 4.342,1221 3.243,1222 3.033,1223 3.084,1224 2.903,1225 2.87,1226 4.175,1227 2.866,1228 2.929,1229 3.009,1230 2.776,1231 2.622,1232 3.981,1233 2.663,1234 2.874,1235 2.965,1236 2.557,1237 2.618,1238 3.646,1239 2.57,1240 2.731,1241 2.813,1242 2.499,1243 2.532,1244 3.509,1245 2.527,1246 0.219,1247 0.188,1248 0.327,1249 0.204,1250 0.155,1251 4.382,1252 0.199,1253 3.763,1254 0.11,1255 6.547,1256 0.518,1257 4.083,1258 0.153,1259 3.096,1260 3.98,1261 2.208,1262 10.364,1263 3.058,1264 1.894,1265 1.875,1266 1.986,1267 1.987,1268 1.187,1269 1.984,1270 1.636,1271 1.575,1272 1.855,1273 1.83,1274 1.174,1275 1.838,1276 1.517,1277 1.445,1278 1.783,1279 1.804,1280 0.835,1281 1.802,1282 1.428,1283 1.376,1284 1.652,1285 1.577,1286 0.728,1287 1.607,1288 1.069,1289 1.029,1290 1.417,1291 1.29,1292 0.469,1293 1.308,1294 0.934,1295 0.804,1296 1.281,1297 1.239,1298 0.442,1299 1.275,1300 0.835,1301 0.791,1302 1.092,1303 1.121,1304 0.161,1305 1.104,1306 0.715,1307 0.656,1308 1.026,1309 0.957,1311 0.99,1312 3.714,1314 5.004,1315 2.398,1316 6.482,1317 4.727,1318 8.05,1319 6.823,1320 9.671,1322 3.319,1328 2.605,1329 3.304,1330 5.273,1332 0.254,1333 1.404,1337 5.268,1339 2.584,1340 22.687,1341 55.088,1342 131.134,1343 164.485,1344 169.24,1345 169.24,1346 169.24,1347 30.215,1348 6.293,1349 41.57,1350 41.57,1351 11,1352 12.007,1353 3.17,1354 2.807,1355 33.64,1356 57,1357 62,1358 0.303,1359 143.885,1360 256.18,1361 342.841,1362 3609,1364 13.828,1365 0.728,1366 0.593,1367 13.828,1368 11.272,1369 9.113,1370 0.456,1371 0.315,1372 6.203,1373 8.744,1374 5.975,1375 5.018,1376 9.113,1377 6.303,1378 8.04,1379 0.298,1380 0.178,1381 8.04,1382 4.799,1383 6.442,1384 0.189,1385 0.095,1386 6.442,1387 3.216,1388 4.774,1389 0.114,1390 0.053,1391 4.774,1392 2.23,1393 3.878,1394 0.076,1395 0.029,1396 3.878,1397 1.475,1398 0.465,1399 57.272,1400 0.279,1401 19.001,1402 0.852,1403 94,1404 281.449,1405 104.222,1406 271.245,1407 362.33,1408 252,1409 108,1410 259.43,1411 117.81,1412 264.936,1413 381.38,1414 245,1415 5.745}
{0 CHEMBL1788299,1 1.461,2 9.1,3 3.438,4 11.818,5 78.817,6 6.809,7 0.286,8 3.756,9 3.883,10 3.24,11 3.257,12 4.832,13 3.224,14 4.307,15 4.507,16 3.563,17 3.623,18 5.337,19 3.561,20 4.521,21 4.739,22 3.593,23 3.747,24 5.493,25 3.659,26 4.599,27 4.822,28 3.49,29 3.712,30 5.632,31 3.61,32 4.522,33 4.777,34 3.381,35 3.6,36 5.515,37 3.489,38 4.264,39 4.476,40 3.26,41 3.501,42 5.295,43 3.397,44 4.267,45 4.506,46 3.167,47 3.419,48 5.306,49 3.288,50 4.168,51 4.43,52 2.914,53 3.246,54 5.147,55 3.106,56 0.023,57 0.557,58 8.992,59 3.668,60 8.323,61 5.072,62 0.332,63 0.88,64 16.851,65 5.783,66 26.75,67 8.428,68 0.151,69 1.024,70 20.899,71 7.519,72 25.75,73 10.7,74 0.305,75 1.017,76 23.435,77 7.776,78 49.974,79 10.804,80 0.335,81 0.917,82 21.951,83 7.22,84 44.936,85 10.25,86 0.171,87 0.773,88 16.241,89 5.976,90 27.51,91 8.29,92 0.202,93 0.758,94 16.421,95 5.965,96 31.254,97 8.489,98 0.191,99 0.665,100 15.195,101 4.899,102 36.214,103 7.206,104 30,105 28,106 0.263,107 0.643,108 0.858,109 0.879,110 0.879,111 0.879,112 3.057,113 0.983,114 -3.77,115 -3.73,116 -3.55,121 40,122 1,123 2,126 1,127 2,129 1,142 1,143 1,144 3,145 2,146 1,161 1,176 7,179 3,180 3,185 3,187 8,192 2,197 4,200 6,206 7,211 1,214 3,219 6,222 1,224 1,227 5,232 2,239 6,244 5,247 2,251 4,256 1,264 2,269 2,274 1,277 2,281 474,282 13.516,283 13.516,284 13.516,285 13.516,286 13.516,287 12.479,288 20.096,289 8.119,290 13.835,291 10.242,292 10.242,293 10.242,294 10.242,295 10.242,296 8.499,297 24.298,298 3.714,299 10.693,300 3.861,301 1.753,302 0.557,303 0.438,304 0.438,305 0.438,306 3.714,310 1,311 1,312 1,313 368,314 3.606,317 46.42,318 52.019,321 82.392,325 1.42,326 17.684,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 43,338 182,339 4.382,340 3.774,341 6.547,342 4.083,343 3.096,344 3.981,345 2.208,346 10.365,347 3.058,348 3.94,349 3.357,350 5.91,351 3.665,352 2.738,353 3.161,354 0.911,355 8.134,356 2.517,357 3.553,358 2.648,359 5.27,360 3.225,361 2.275,362 2.775,363 0.655,364 6.598,365 2.155,366 3.48,367 2.49,368 5.092,369 2.937,370 1.972,371 2.329,372 0.44,373 5.909,374 1.9,375 3.141,376 2.144,377 4.171,378 2.438,379 1.456,380 2.006,381 0.13,382 3.576,383 1.427,384 2.583,385 2.12,386 3.84,387 2.27,388 1.3,389 1.532,391 2.912,392 1.248,393 2.519,394 1.375,395 3.451,396 2.16,397 1.169,398 1.446,400 2.551,401 1.15,402 2.02,403 0.996,404 3.199,405 1.728,406 0.741,407 0.887,409 1.629,410 0.729,411 1.699,412 0.679,413 2.74,414 1.186,415 0.231,416 0.288,418 0.379,419 0.219,420 1.202,421 0.44,422 2.437,423 1.11,424 0.143,425 0.156,427 0.201,428 0.137,429 1.138,430 0.351,431 2.26,432 0.733,433 -0.24,434 -0.305,436 -0.546,437 -0.229,438 0.617,439 -0.278,440 2,441 0.205,442 -0.775,443 -1.004,445 -1.675,446 -0.752,447 0.577,448 -0.52,449 1.929,450 0.141,451 -0.858,452 -1.16,454 -2.401,455 -0.855,456 0.163,457 -0.775,458 1.59,459 -0.148,460 -1.137,461 -1.36,463 -2.708,464 -1.118,465 -0.187,466 -0.896,467 1.289,468 -0.368,469 -1.305,470 -1.471,472 -2.836,473 -1.223,474 9.467,475 0.473,476 0.435,477 0.022,478 22.5,479 1.125,480 10,481 0.5,482 12.5,483 0.625,484 16.013,485 0.801,486 22.333,487 0.558,488 15.585,489 0.779,490 4.508,491 0.225,492 5.143,493 0.257,494 0.194,496 0.306,501 0.803,502 1.442,503 0.875,504 1.22,505 0.633,506 1.076,507 0.686,508 0.961,509 0.895,510 0.906,511 0.459,512 0.91,513 0.999,514 1.172,515 0.974,516 1.133,517 0.711,518 1.058,519 1.637,520 1.039,521 1.182,522 1.037,523 1.491,524 1.052,525 1.364,526 0.824,527 0.97,528 0.822,529 1.389,530 0.846,531 1.249,532 1.062,533 1.111,534 1.067,535 1.137,536 1.077,537 0.837,538 1.1,539 1.024,540 1.158,541 1.103,542 1.132,543 1.244,544 0.973,545 1.114,546 0.955,547 1.547,548 1.004,549 4,550 0.033,551 2.444,552 1.229,553 0.893,554 0.479,555 0.426,556 0.333,557 0.177,558 0.085,559 3442,560 8788,561 1.966,562 50,563 2,564 11,565 1,567 1,569 5,572 1.618,573 1.818,574 3.179,575 -0.32,577 1,579 1,582 58.439,583 1.461,584 3.569,585 4.765,586 4.884,587 4.884,588 4.884,589 2.709,590 3.846,591 4.287,592 3.286,593 624.28,594 7.331,595 6429.6,596 1,597 1,598 1,599 1,600 212.877,601 1.485,602 4.237,603 0.19,604 0.007,605 0.087,606 0.044,607 0.037,608 0.022,609 0.021,610 0.02,611 0.014,612 0.011,613 0.452,614 0.67,615 1,616 1.893,617 89.008,618 -0.014,619 -0.214,620 0.048,621 -0.103,622 -0.024,623 -0.032,624 0.297,625 0.176,626 0.078,627 0.093,628 0.165,629 0.065,630 -0.038,631 -0.137,632 -0.009,633 -0.126,634 0.028,635 -0.069,636 -0.219,637 -0.079,638 -0.161,639 -0.07,640 -0.161,641 -0.104,642 -0.07,643 0.096,644 0.047,645 0.128,646 -0.104,647 0.105,648 -0.16,649 -0.055,650 -0.138,651 -0.047,652 -0.167,653 -0.086,654 0.102,655 -0.121,656 -0.06,657 -0.167,658 -0.03,659 -0.148,660 -0.165,661 -0.013,662 -0.121,663 -0.018,664 -0.127,665 -0.056,666 2.001,667 4.759,668 0.45,669 16.34,670 0.995,671 1.129,672 2.538,673 6.441,674 0.644,675 3.091,676 3.367,677 3.611,678 3.807,679 3.97,680 4.043,681 4.159,682 4.248,683 4.078,684 3.951,685 5.311,686 0.605,687 272.38,688 3.091,689 4.595,690 5.425,691 6.282,692 7.14,693 8.009,694 8.878,695 9.753,696 10.628,697 11.506,698 5,700 1,705 1,715 3,720 3,722 6,737 1,741 40,743 8,744 1,745 21,747 41,748 16,749 6,750 3,751 3,756 2,757 3,763 1,767 3,770 3,771 2,772 7,773 7,777 1,782 1,786 1,789 1,790 1,793 20,794 4,795 1,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,836 1,837 1,853 1,859 1,864 2,868 20,876 4,877 1,878 1,880 1,881 1,885 1,886 1,891 1,893 5,896 1,898 1,901 11,902 7.7,903 4.667,904 2.524,907 1.482,908 1.232,909 0.928,910 4.917,911 7.865,912 3.332,913 3.773,914 4.223,915 4.676,916 5.144,917 5.341,918 5.638,919 5.88,920 5.731,921 5.758,922 1,923 28,924 7.38,926 2.987,927 0.026,929 7.775,931 14.15,933 11.188,936 2.275,937 45.5,938 0.001,941 223.651,942 113.66,943 21.135,945 36.145,948 113.66,949 259.796,950 21.135,951 17.222,952 12.405,953 46.439,954 25.145,955 22.614,956 58.885,957 211.88,959 223.651,960 134.795,961 36.145,964 164.795,965 95,968 39.241,969 78.523,970 17.031,972 223.651,973 57.28,974 113.66,977 223.651,978 27.658,979 48.775,980 35.041,981 59.466,982 223.651,983 57.28,984 113.66,986 0.563,987 0.333,988 0.165,989 0.088,990 12,991 6,992 0.122,993 5,994 1,995 1.222,996 3.202,997 140.574,998 0.222,999 9,1000 86.439,1005 14.741,1006 6.671,1007 3.472,1009 57.28,1010 5.823,1015 3.066,1017 18.011,1018 394.591,1019 27,1024 11.759,1028 -0.335,1031 39.811,1032 45.152,1034 0.275,1035 0.671,1036 0.895,1037 0.918,1038 0.918,1039 0.918,1040 4.57,1041 0.741,1042 5.398,1043 2.551,1044 4.043,1045 4.454,1046 2.503,1047 6.184,1048 3.964,1049 5.744,1050 0.231,1051 6.948,1052 1.629,1053 3.611,1054 4.182,1055 1.847,1056 7.066,1057 3.489,1058 7.029,1059 0.143,1060 8.6,1061 0.379,1062 5.609,1063 6.48,1064 3.569,1065 10.14,1066 5.456,1067 8.347,1068 -0.24,1069 10.31,1070 0.201,1071 6.019,1072 7.04,1073 3.656,1074 11.855,1075 5.835,1076 9.694,1077 -0.775,1078 12.057,1079 -0.546,1080 7.474,1081 8.832,1082 4.964,1083 14.44,1084 7.267,1085 11.062,1086 -0.858,1087 13.83,1088 -1.675,1089 8.263,1090 9.779,1091 5.37,1092 16.505,1093 8.041,1094 12.447,1095 -1.137,1096 15.622,1097 -2.401,1098 9.506,1099 11.365,1100 6.459,1101 18.924,1102 9.267,1103 3.096,1104 -1.305,1105 17.427,1106 -2.708,1107 10.471,1108 12.509,1109 7.028,1110 21.142,1111 10.224,1112 2.738,1113 10.365,1114 19.243,1115 -2.836,1116 11.63,1117 13.997,1118 7.994,1119 23.502,1120 11.372,1121 2.275,1122 8.134,1123 21.069,1124 3.981,1125 12.675,1126 15.246,1127 8.654,1128 25.786,1129 12.412,1130 1.972,1131 6.598,1132 22.901,1133 3.161,1134 13.803,1135 16.685,1136 9.549,1137 28.127,1138 13.533,1139 1.456,1140 5.909,1141 24.74,1142 2.775,1143 14.885,1144 17.991,1145 10.263,1146 30.44,1147 14.612,1148 1.3,1149 3.576,1150 26.583,1151 2.329,1152 16.004,1153 19.404,1154 11.116,1155 32.776,1156 15.725,1157 1.169,1158 2.912,1159 28.431,1160 2.006,1161 17.105,1162 20.742,1163 11.862,1164 35.102,1165 16.822,1166 3604,1167 5832,1168 13.523,1169 25.773,1170 31.489,1171 31.515,1172 32.439,1173 30.268,1174 30.24,1175 37.121,1176 8.689,1177 84.509,1178 29.079,1179 5.271,1180 5.774,1181 6.409,1182 5.153,1183 5.096,1184 6.981,1185 3.912,1186 17.023,1187 5.058,1188 11.16,1189 1.499,1190 1.501,1191 1.545,1192 1.441,1193 1.44,1194 1.768,1195 0.414,1196 4.024,1197 1.385,1198 4.032,1199 4.061,1200 3.971,1201 3.962,1202 7.433,1203 3.96,1204 3.693,1205 3.756,1206 3.602,1207 3.458,1208 5.432,1209 3.477,1210 3.567,1211 3.627,1212 3.459,1213 3.425,1214 4.811,1215 3.427,1216 3.395,1217 3.445,1218 3.266,1219 3.277,1220 4.339,1221 3.267,1222 3.193,1223 3.274,1224 3.018,1225 2.953,1226 4.19,1227 2.957,1228 3.014,1229 3.08,1230 2.85,1231 2.86,1232 3.992,1233 2.847,1234 2.92,1235 2.972,1236 2.694,1237 2.621,1238 3.74,1239 2.641,1240 2.732,1241 2.815,1242 2.557,1243 2.533,1244 3.643,1245 2.527,1246 0.209,1247 0.18,1248 0.312,1249 0.194,1250 0.147,1251 4.382,1252 0.19,1253 3.774,1254 0.105,1255 6.547,1256 0.494,1257 4.083,1258 0.146,1259 3.096,1260 3.981,1261 2.208,1262 10.365,1263 3.058,1264 1.894,1265 1.876,1266 1.987,1267 1.989,1268 1.187,1269 1.986,1270 1.636,1271 1.575,1272 1.872,1273 1.861,1274 1.174,1275 1.864,1276 1.604,1277 1.53,1278 1.855,1279 1.819,1280 1.038,1281 1.836,1282 1.43,1283 1.379,1284 1.652,1285 1.58,1286 0.728,1287 1.609,1288 1.193,1289 1.124,1290 1.568,1291 1.472,1292 0.623,1293 1.506,1294 1.06,1295 0.998,1296 1.282,1297 1.283,1298 0.442,1299 1.277,1300 0.842,1301 0.793,1302 1.102,1303 1.131,1304 0.164,1305 1.124,1306 0.728,1307 0.665,1308 1.037,1309 0.96,1310 0.132,1311 0.995,1312 3.761,1314 5.043,1315 2.398,1316 6.521,1317 4.727,1318 8.089,1319 6.823,1320 9.71,1322 3.622,1328 3.229,1329 3.315,1330 5.364,1332 0.253,1333 1.529,1337 5.284,1339 2.592,1340 24.214,1341 58.439,1342 142.764,1343 190.612,1344 195.367,1345 195.367,1346 195.367,1347 33.906,1348 6.384,1349 41.57,1350 41.57,1351 11,1352 12.044,1353 3.17,1354 2.807,1355 36.418,1356 64,1357 67,1358 0.294,1359 153.478,1360 273.48,1361 366.246,1362 4092,1364 14.535,1365 0.727,1366 0.599,1367 14.535,1368 11.979,1369 9.651,1370 0.46,1371 0.328,1372 6.783,1373 9.281,1374 6.559,1375 5.494,1376 9.651,1377 6.879,1378 8.181,1379 0.292,1380 0.176,1381 8.181,1382 4.919,1383 6.919,1384 0.192,1385 0.101,1386 6.919,1387 3.637,1388 5.136,1389 0.117,1390 0.053,1391 5.136,1392 2.346,1393 3.918,1394 0.075,1395 0.029,1396 3.918,1397 1.492,1398 0.454,1399 60.416,1400 0.272,1401 19.955,1402 0.819,1403 98,1404 285.449,1405 108.555,1406 274.678,1407 369.41,1408 256,1409 113,1410 266.782,1411 122.977,1412 270.179,1413 391.64,1414 252,1415 4.498}
{0 CHEMBL1788300,1 1.436,2 9.81,3 3.961,4 15.693,5 83.341,6 6.661,7 0.273,8 3.821,9 3.951,10 3.284,11 3.322,12 4.873,13 3.283,14 4.381,15 4.584,16 3.6,17 3.691,18 5.38,19 3.619,20 4.608,21 4.835,22 3.634,23 3.812,24 5.544,25 3.713,26 4.683,27 4.922,28 3.554,29 3.778,30 5.664,31 3.675,32 4.585,33 4.826,34 3.484,35 3.692,36 5.606,37 3.582,38 4.462,39 4.696,40 3.321,41 3.587,42 5.478,43 3.477,44 4.307,45 4.54,46 3.251,47 3.494,48 5.336,49 3.37,50 4.255,51 4.502,52 3.041,53 3.39,54 5.234,55 3.25,56 0.03,57 0.595,58 9.868,59 4.004,60 8.678,61 5.594,62 0.342,63 0.943,64 18.332,65 6.358,66 27.466,67 9.322,68 0.161,69 1.106,70 22.975,71 8.234,72 27.416,73 11.882,74 0.344,75 1.102,76 25.658,77 8.218,78 49.085,79 11.726,80 0.296,81 0.995,82 23.059,83 7.841,84 42.341,85 11.123,86 0.297,87 0.871,88 20.513,89 6.894,90 43.225,91 9.607,92 0.206,93 0.8,94 17.065,95 6.289,96 30.19,97 8.945,98 0.185,99 0.744,100 16.358,101 5.544,102 35.722,103 8.102,104 31,105 29,106 0.254,107 0.619,108 0.845,109 0.881,110 0.881,111 0.881,112 3.102,113 1.006,114 -4.01,115 -3.96,116 -3.75,121 39.5,122 1,123 3,126 1,127 2,129 1,142 1,143 1,144 3,145 2,146 1,161 1,176 8,179 3,180 3,185 3,187 8,192 3,197 4,200 6,206 7,211 1,214 3,219 8,222 1,224 1,227 5,232 2,239 6,244 5,247 2,251 6,256 1,264 4,269 2,274 1,277 3,281 572,282 14.223,283 14.223,284 14.223,285 14.223,286 14.223,287 13.187,288 20.096,289 8.724,290 14.506,291 10.78,292 10.78,293 10.78,294 10.78,295 10.78,296 9.037,297 24.298,298 4.009,299 11.222,300 3.991,301 1.93,302 0.657,303 0.454,304 0.454,305 0.454,306 3.762,310 1,311 1,312 1,313 417,314 3.742,317 50.138,318 55.999,321 88.725,325 1.456,326 18.256,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 45,338 206,339 4.382,340 3.775,341 6.547,342 4.083,343 3.096,344 3.981,345 2.208,346 10.365,347 3.058,348 3.944,349 3.357,350 5.918,351 3.672,352 2.745,353 3.162,354 0.911,355 8.18,356 2.526,357 3.555,358 2.65,359 5.274,360 3.231,361 2.282,362 2.778,363 0.655,364 6.63,365 2.16,366 3.481,367 2.491,368 5.093,369 2.939,370 1.974,371 2.329,372 0.44,373 5.913,374 1.902,375 3.141,376 2.179,377 4.174,378 2.44,379 1.458,380 2.006,381 0.13,382 3.608,383 1.428,384 2.64,385 2.126,386 3.932,387 2.413,388 1.43,389 1.601,391 3.203,392 1.391,393 2.572,394 1.375,395 3.453,396 2.192,397 1.197,398 1.512,400 2.568,401 1.189,402 2.025,403 1.034,404 3.206,405 1.778,406 0.809,407 0.915,409 1.665,410 0.779,411 1.846,412 0.985,413 2.94,414 1.677,415 0.693,416 0.774,418 1.243,419 0.677,420 1.694,421 0.659,422 2.453,423 1.165,424 0.201,425 0.268,427 0.342,428 0.193,429 1.141,430 0.411,431 2.43,432 0.743,433 -0.221,434 -0.279,436 -0.512,437 -0.21,438 0.618,439 -0.26,440 2.131,441 0.37,442 -0.591,443 -0.598,445 -0.907,446 -0.564,447 0.581,448 -0.384,449 2,450 0.205,451 -0.775,452 -1.004,454 -1.675,455 -0.752,456 0.421,457 -0.52,458 1.715,459 0.141,460 -0.858,461 -1.16,463 -2.402,464 -0.855,465 0.162,466 -0.777,467 1.456,468 -0.148,469 -1.137,470 -1.444,472 -2.708,473 -1.118,474 9.967,475 0.475,476 0.435,477 0.021,478 23,479 1.095,480 10,481 0.476,482 13,483 0.619,484 17.676,485 0.842,486 23.633,487 0.55,488 16.008,489 0.762,490 4.487,491 0.214,492 5.665,493 0.27,494 0.184,496 0.291,501 0.803,502 1.446,503 0.901,504 1.235,505 0.63,506 1.099,507 0.682,508 0.994,509 0.922,510 0.947,511 0.457,512 0.949,513 0.96,514 1.207,515 0.957,516 1.144,517 0.694,518 1.061,519 1.667,520 0.936,521 1.126,522 0.919,523 1.472,524 0.947,525 1.322,526 0.995,527 1.017,528 1.005,529 1.347,530 0.982,531 1.739,532 0.864,533 1.129,534 0.856,535 1.63,536 0.917,537 0.854,538 1.094,539 1.014,540 1.141,541 1.11,542 1.113,543 1.223,544 1.061,545 1.175,546 1.058,547 1.532,548 1.1,549 4,550 0.053,551 2.444,552 1.354,553 0.973,554 0.479,555 0.426,556 0.333,557 0.19,558 0.1,559 4009,560 9671,561 1.968,562 51.2,563 5,564 11,565 1,567 1,569 4,572 1.632,573 1.826,574 3.273,575 -0.338,577 1,582 61.735,583 1.436,584 3.496,585 4.769,586 4.973,587 4.973,588 4.973,589 2.72,590 3.916,591 4.357,592 3.377,593 709.099,594 7.47,595 7626.66,597 1,599 1,600 233.329,601 1.461,602 4.311,603 0.182,604 0.007,605 0.084,606 0.047,607 0.037,608 0.02,609 0.02,610 0.018,611 0.013,612 0.01,613 0.437,614 0.67,615 1,616 2.052,617 95.617,618 -0.007,619 -0.203,620 0.047,621 -0.097,622 -0.013,623 -0.03,624 0.3,625 0.145,626 0.062,627 0.065,628 0.166,629 0.041,630 -0.01,631 -0.177,632 0.015,633 -0.134,634 0.038,635 -0.066,636 -0.215,637 0.035,638 -0.093,639 0.03,640 -0.156,641 -0.008,642 -0.029,643 -0.04,644 -0.006,645 -0.033,646 -0.058,647 -0.02,648 -0.254,649 0.08,650 -0.099,651 0.116,652 -0.245,653 0.037,654 0.104,655 -0.089,656 -0.045,657 -0.133,658 -0.014,659 -0.119,660 -0.171,661 -0.063,662 -0.191,663 -0.089,664 -0.142,665 -0.135,666 1.983,667 4.918,668 0.429,669 18.009,670 0.993,671 1.129,672 2.781,673 7.735,674 0.64,675 3.135,676 3.401,677 3.638,678 3.85,679 4.007,680 4.06,681 4.19,682 4.277,683 4.127,684 4.06,685 5.612,686 0.599,687 286.41,688 3.135,689 4.635,690 5.46,691 6.315,692 7.169,693 8.037,694 8.904,695 9.777,696 10.651,697 11.529,698 4.7,700 1,705 1,715 3,720 3,722 6,737 1,741 43,743 8,744 1,745 22,747 44,748 17,749 6,750 3,751 3,756 2,757 3,763 1,767 3,770 4,771 2,772 7,773 8,777 1,782 1,786 1,790 1,793 22,794 4,795 1,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,836 1,837 1,853 1,859 1,864 2,868 21,876 5,877 1,878 1,880 1,881 1,885 1,886 1,891 1,893 4.7,896 1,898 1,901 11.5,902 8.2,903 4.917,904 2.774,907 1.47,908 1.227,909 0.926,910 5.522,911 7.938,912 3.367,913 3.795,914 4.238,915 4.695,916 5.162,917 5.345,918 5.649,919 5.893,920 5.759,921 5.823,922 0.857,923 29,924 7.763,926 3.135,927 0.026,929 7.738,931 14.967,933 11.855,936 2.238,937 47,938 0.001,941 247.193,942 116.194,943 21.135,945 36.145,948 116.194,949 283.338,950 21.135,951 17.222,952 14.939,953 46.439,954 25.145,955 22.614,956 58.885,957 235.422,959 247.193,960 137.329,961 36.145,964 200.109,965 83.229,968 41.775,969 78.523,970 17.031,972 247.193,973 57.28,974 116.194,977 247.193,978 30.192,979 48.775,980 35.041,981 59.466,982 247.193,983 57.28,984 116.194,986 0.557,987 0.325,988 0.171,989 0.093,990 12,991 6,992 0.136,993 6,994 1,995 1.222,996 3.313,997 149.345,998 0.222,999 9,1000 92.239,1005 15.721,1006 7.376,1007 3.92,1009 57.28,1010 5.851,1015 3.08,1017 18.011,1018 420.667,1019 28,1024 11.918,1028 -0.317,1031 42.694,1032 48.567,1034 0.265,1035 0.644,1036 0.879,1037 0.916,1038 0.916,1039 0.916,1040 4.6,1041 0.809,1042 5.425,1043 2.568,1044 4.078,1045 4.477,1046 2.503,1047 6.205,1048 4.001,1049 5.766,1050 0.693,1051 6.967,1052 1.665,1053 3.611,1054 4.182,1055 1.847,1056 7.066,1057 3.489,1058 7.046,1059 0.201,1060 8.613,1061 1.243,1062 5.631,1063 6.49,1064 3.569,1065 10.152,1066 5.479,1067 8.359,1068 -0.221,1069 10.32,1070 0.342,1071 6.019,1072 7.04,1073 3.656,1074 11.86,1075 5.835,1076 9.703,1077 -0.591,1078 12.065,1079 -0.512,1080 7.488,1081 8.836,1082 4.964,1083 14.45,1084 7.282,1085 11.069,1086 -0.775,1087 13.837,1088 -0.907,1089 8.267,1090 9.78,1091 5.37,1092 16.511,1093 8.044,1094 12.452,1095 -0.858,1096 15.627,1097 -1.675,1098 9.517,1099 11.367,1100 6.459,1101 18.931,1102 9.276,1103 3.096,1104 -1.137,1105 17.432,1106 -2.402,1107 10.476,1108 12.51,1109 7.028,1110 21.147,1111 10.228,1112 2.745,1113 10.365,1114 19.248,1115 -2.708,1116 11.638,1117 13.998,1118 7.994,1119 23.507,1120 11.379,1121 2.282,1122 8.18,1123 21.073,1124 3.981,1125 12.681,1126 15.246,1127 8.654,1128 25.79,1129 12.416,1130 1.974,1131 6.63,1132 22.905,1133 3.162,1134 13.81,1135 16.686,1136 9.549,1137 28.131,1138 13.538,1139 1.458,1140 5.913,1141 24.744,1142 2.778,1143 14.892,1144 17.991,1145 10.263,1146 30.443,1147 14.615,1148 1.43,1149 3.608,1150 26.587,1151 2.329,1152 16.011,1153 19.405,1154 11.116,1155 32.779,1156 15.728,1157 1.197,1158 3.203,1159 28.435,1160 2.006,1161 17.111,1162 20.743,1163 11.862,1164 35.104,1165 16.824,1166 4181,1167 6579,1168 14.216,1169 27.534,1170 33.107,1171 33.124,1172 33.617,1173 31.818,1174 31.771,1175 38.654,1176 8.689,1177 87.434,1178 30.608,1179 5.277,1180 5.775,1181 6.409,1182 5.159,1183 5.096,1184 6.981,1185 3.912,1186 17.023,1187 5.058,1188 11.567,1189 1.505,1190 1.506,1191 1.528,1192 1.446,1193 1.444,1194 1.757,1195 0.395,1196 3.974,1197 1.391,1198 4.032,1199 4.061,1200 3.972,1201 3.963,1202 7.433,1203 3.96,1204 3.724,1205 3.79,1206 3.621,1207 3.515,1208 5.432,1209 3.522,1210 3.576,1211 3.632,1212 3.467,1213 3.441,1214 4.811,1215 3.44,1216 3.426,1217 3.477,1218 3.296,1219 3.29,1220 4.338,1221 3.284,1222 3.318,1223 3.394,1224 3.153,1225 3.101,1226 4.202,1227 3.108,1228 3.021,1229 3.081,1230 2.874,1231 2.867,1232 4.008,1233 2.859,1234 2.922,1235 2.974,1236 2.737,1237 2.621,1238 3.873,1239 2.647,1240 2.746,1241 2.868,1242 2.557,1243 2.533,1244 3.644,1245 2.527,1246 0.199,1247 0.172,1248 0.298,1249 0.186,1250 0.141,1251 4.382,1252 0.181,1253 3.775,1254 0.1,1255 6.547,1256 0.471,1257 4.083,1258 0.139,1259 3.096,1260 3.981,1261 2.208,1262 10.365,1263 3.058,1264 1.894,1265 1.876,1266 1.987,1267 1.99,1268 1.188,1269 1.987,1270 1.669,1271 1.598,1272 1.934,1273 1.89,1274 1.182,1275 1.904,1276 1.636,1277 1.575,1278 1.855,1279 1.821,1280 1.171,1281 1.837,1282 1.431,1283 1.381,1284 1.657,1285 1.614,1286 0.731,1287 1.63,1288 1.323,1289 1.251,1290 1.641,1291 1.567,1292 0.713,1293 1.598,1294 1.064,1295 1.016,1296 1.294,1297 1.284,1298 0.442,1299 1.277,1300 0.852,1301 0.793,1302 1.275,1303 1.145,1304 0.423,1305 1.19,1306 0.798,1307 0.692,1308 1.092,1309 1.082,1310 0.162,1311 1.092,1312 3.807,1314 5.081,1315 2.398,1316 6.55,1317 4.727,1318 8.113,1319 6.823,1320 9.731,1322 3.775,1328 4.211,1329 3.324,1330 5.426,1332 0.253,1333 1.585,1337 5.297,1339 2.598,1340 25.74,1341 61.735,1342 150.333,1343 205.065,1344 213.82,1345 213.82,1346 213.82,1347 37.752,1348 6.468,1349 41.57,1350 41.57,1351 11,1352 12.067,1353 3.17,1354 2.807,1355 39.308,1356 70,1357 74,1358 0.283,1359 163.07,1360 290.78,1361 389.651,1362 4626,1364 15.242,1365 0.726,1366 0.604,1367 15.242,1368 12.686,1369 10.151,1370 0.461,1371 0.335,1372 7.283,1373 9.789,1374 7.046,1375 5.926,1376 10.151,1377 7.379,1378 8.562,1379 0.295,1380 0.184,1381 8.562,1382 5.326,1383 7.019,1384 0.19,1385 0.101,1386 7.019,1387 3.721,1388 5.474,1389 0.119,1390 0.057,1391 5.474,1392 2.643,1393 4.174,1394 0.077,1395 0.029,1396 4.174,1397 1.574,1398 0.442,1399 63.416,1400 0.265,1401 20.939,1402 0.782,1403 102,1404 289.449,1405 112.555,1406 278.965,1407 375.23,1408 260,1409 117,1410 270.782,1411 127.143,1412 274.636,1413 398.06,1414 256,1415 5.071}
{0 CHEMBL1788306,1 1.413,2 10.5,3 4.418,4 19.516,5 87.942,6 6.531,7 0.261,8 3.882,9 4.015,10 3.327,11 3.384,12 4.912,13 3.339,14 4.449,15 4.656,16 3.636,17 3.756,18 5.421,19 3.675,20 4.687,21 4.924,22 3.669,23 3.879,24 5.59,25 3.768,26 4.757,27 5.003,28 3.596,29 3.842,30 5.707,31 3.728,32 4.67,33 4.925,34 3.548,35 3.76,36 5.639,37 3.649,38 4.528,39 4.75,40 3.43,41 3.68,42 5.572,43 3.572,44 4.497,45 4.748,46 3.313,47 3.58,48 5.513,49 3.452,50 4.296,51 4.537,52 3.136,53 3.467,54 5.267,55 3.334,56 0.037,57 0.634,58 10.73,59 4.341,60 8.926,61 6.113,62 0.352,63 1.006,64 19.785,65 6.931,66 27.99,67 10.204,68 0.178,69 1.186,70 24.978,71 8.97,72 28.378,73 13.045,74 0.345,75 1.181,76 27.547,77 8.898,78 49.168,79 12.862,80 0.335,81 1.079,82 25.185,83 8.278,84 41.103,85 11.999,86 0.261,87 0.95,88 21.74,89 7.539,90 41.29,91 10.524,92 0.329,93 0.896,94 21.191,95 7.178,96 45.068,97 10.201,98 0.184,99 0.786,100 16.982,101 5.872,102 34.108,103 8.575,104 32,105 30,106 0.247,107 0.596,108 0.829,109 0.883,110 0.883,111 0.883,112 3.146,113 1.028,114 -4.25,115 -4.19,116 -3.96,121 39.1,122 1,123 4,126 1,127 2,129 1,142 1,143 1,144 3,145 2,146 1,161 1,176 9,179 3,180 3,185 3,187 9,192 3,197 4,200 6,206 8,211 1,214 3,219 8,222 1,224 1,227 5,232 4,239 6,244 5,247 2,251 6,256 1,264 6,269 2,274 1,277 5,281 678,282 14.93,283 14.93,284 14.93,285 14.93,286 14.93,287 13.894,288 20.096,289 9.249,290 15.214,291 11.28,292 11.28,293 11.28,294 11.28,295 11.28,296 9.537,297 24.298,298 4.303,299 11.717,300 4.111,301 2.108,302 0.778,303 0.468,304 0.468,305 0.468,306 3.807,311 1,312 1,313 468,314 3.873,317 53.951,318 60.121,321 95.248,325 1.591,326 18.781,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 47,338 231,339 4.382,340 3.775,341 6.547,342 4.083,343 3.096,344 3.981,345 2.208,346 10.365,347 3.058,348 3.944,349 3.358,350 5.919,351 3.674,352 2.746,353 3.163,354 0.911,355 8.184,356 2.528,357 3.556,358 2.65,359 5.274,360 3.233,361 2.284,362 2.779,363 0.655,364 6.634,365 2.162,366 3.481,367 2.491,368 5.093,369 2.941,370 1.975,371 2.33,372 0.44,373 5.914,374 1.903,375 3.141,376 2.192,377 4.176,378 2.564,379 1.57,380 2.006,381 0.13,382 3.643,383 1.552,384 2.715,385 2.127,386 3.969,387 2.437,388 1.456,389 1.693,391 3.354,392 1.427,393 2.575,394 1.375,395 3.454,396 2.205,397 1.216,398 1.519,400 2.579,401 1.201,402 2.186,403 1.366,404 3.254,405 2.004,406 1.034,407 1.136,409 2.063,410 0.99,411 2.016,412 0.995,413 3.164,414 1.722,415 0.733,416 0.878,418 1.606,419 0.722,420 1.697,421 0.669,422 2.647,423 1.173,424 0.212,425 0.277,427 0.363,428 0.203,429 1.147,430 0.418,431 2.436,432 1.075,433 0.1,434 0.103,436 0.153,437 0.097,438 1.117,439 0.238,440 2.24,441 0.736,442 -0.236,443 -0.299,445 -0.542,446 -0.225,447 0.617,448 -0.277,449 2,450 0.205,451 -0.775,452 -1,454 -1.675,455 -0.752,456 0.578,457 -0.52,458 1.938,459 0.141,460 -0.858,461 -1.004,463 -1.802,464 -0.855,465 0.163,466 -0.759,467 1.613,468 -0.048,469 -1,470 -1.16,472 -2.402,473 -0.946,474 10.467,475 0.476,476 0.435,477 0.02,478 23.5,479 1.068,480 10,481 0.455,482 13.5,483 0.614,484 19.368,485 0.88,486 24.933,487 0.542,488 16.377,489 0.744,490 4.487,491 0.204,492 6.165,493 0.28,494 0.175,496 0.277,501 0.803,502 1.449,503 0.925,504 1.249,505 0.627,506 1.119,507 0.679,508 1.023,509 0.946,510 0.983,511 0.453,512 0.982,513 0.937,514 1.188,515 0.949,516 1.129,517 0.679,518 1.051,519 1.619,520 0.984,521 1.102,522 0.945,523 1.441,524 0.959,525 1.361,526 0.893,527 0.974,528 0.889,529 1.329,530 0.884,531 1.677,532 1.045,533 1.17,534 1.049,535 1.57,536 1.058,537 1.404,538 0.898,539 1.049,540 0.928,541 1.618,542 0.955,543 1.241,544 1.054,545 1.16,546 1.045,547 1.54,548 1.084,549 4,550 0.065,551 2.444,552 1.354,553 1.053,554 0.535,555 0.426,556 0.333,557 0.19,558 0.11,559 4664,560 10690,561 1.969,562 52.2,563 7,564 11,565 1,567 1,569 4,572 1.644,573 1.833,574 3.36,575 -0.354,577 1,582 64.986,583 1.413,584 3.415,585 4.746,586 5.056,587 5.056,588 5.056,589 2.863,590 4.187,591 4.423,592 3.472,593 802.093,594 7.6,595 9013.55,597 1,599 1,600 254.084,601 1.435,602 4.382,603 0.174,604 0.007,605 0.081,606 0.045,607 0.039,608 0.021,609 0.019,610 0.017,611 0.011,612 0.009,613 0.422,614 0.33,615 1,616 2.201,617 102.427,618 -0.001,619 -0.193,620 0.046,621 -0.092,622 -0.005,623 -0.029,624 0.301,625 0.119,626 0.048,627 0.042,628 0.169,629 0.021,630 0.002,631 -0.163,632 0.027,633 -0.118,634 0.047,635 -0.052,636 -0.182,637 -0.015,638 -0.07,639 0.006,640 -0.137,641 -0.015,642 -0.036,643 0.071,644 0.046,645 0.062,646 -0.06,647 0.066,648 -0.202,649 -0.064,650 -0.14,651 -0.051,652 -0.186,653 -0.086,654 -0.024,655 0.045,656 -0.028,657 0.032,658 -0.113,659 -0.002,660 -0.171,661 -0.032,662 -0.17,663 -0.058,664 -0.126,665 -0.106,666 1.973,667 5.034,668 0.409,669 19.86,670 0.991,671 1.13,672 3.019,673 9.113,674 0.637,675 3.178,676 3.434,677 3.664,678 3.871,679 4.043,680 4.094,681 4.205,682 4.304,683 4.159,684 4.111,685 5.949,686 0.593,687 300.44,688 3.178,689 4.673,690 5.493,691 6.344,692 7.195,693 8.059,694 8.924,695 9.796,696 10.668,697 11.544,698 4.3,700 1,705 1,715 3,720 3,722 6,737 1,741 46,743 8,744 1,745 23,747 47,748 18,749 6,750 3,751 3,756 2,757 3,763 1,767 3,770 5,771 2,772 7,773 9,777 1,782 1,786 1,790 1,793 24,794 4,795 1,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,836 1,837 1,853 1,859 1,864 2,868 22,876 6,877 1,878 1,880 1,881 1,885 1,886 1,891 1,893 4.3,896 1,898 1,901 12,902 8.7,903 5.167,904 3.024,907 1.459,908 1.223,909 0.925,910 6.148,911 8.005,912 3.401,913 3.818,914 4.252,915 4.704,916 5.173,917 5.36,918 5.653,919 5.901,920 5.773,921 5.849,922 1,923 30,924 8.144,926 3.281,927 0.026,929 7.705,931 15.783,933 12.521,936 2.205,937 48.5,940 1,941 270.735,942 118.729,943 21.135,945 36.145,948 118.729,949 306.88,950 21.135,951 17.222,952 17.474,953 46.439,954 25.145,955 22.614,956 58.885,957 258.964,959 270.735,960 139.864,961 36.145,964 223.651,965 83.229,968 44.31,969 78.523,970 17.031,972 270.735,973 57.28,974 118.729,977 270.735,978 32.727,979 48.775,980 35.041,981 59.466,982 270.735,983 57.28,984 118.729,986 0.555,987 0.32,988 0.166,989 0.095,990 12,991 6,992 0.149,993 7,994 1,995 1.222,996 3.43,997 157.889,998 0.222,999 9,1000 98.107,1005 16.704,1006 8.098,1007 4.415,1009 57.28,1010 5.873,1015 3.09,1017 18.011,1018 446.744,1019 29,1024 12.034,1028 -0.306,1031 45.578,1032 51.983,1034 0.256,1035 0.618,1036 0.859,1037 0.915,1038 0.915,1039 0.915,1040 4.63,1041 1.034,1042 5.451,1043 2.579,1044 4.111,1045 4.5,1046 2.503,1047 6.221,1048 4.037,1049 5.788,1050 0.733,1051 6.986,1052 2.063,1053 3.611,1054 4.182,1055 1.847,1056 7.066,1057 3.489,1058 7.063,1059 0.212,1060 8.626,1061 1.606,1062 5.652,1063 6.499,1064 3.569,1065 10.157,1066 5.504,1067 8.371,1068 0.1,1069 10.328,1070 0.363,1071 6.019,1072 7.04,1073 3.656,1074 11.86,1075 5.835,1076 9.712,1077 -0.236,1078 12.071,1079 0.153,1080 7.499,1081 8.839,1082 4.964,1083 14.451,1084 7.295,1085 11.075,1086 -0.775,1087 13.84,1088 -0.542,1089 8.267,1090 9.78,1091 5.37,1092 16.512,1093 8.044,1094 12.457,1095 -0.858,1096 15.63,1097 -1.675,1098 9.522,1099 11.368,1100 6.459,1101 18.932,1102 9.283,1103 3.096,1104 -1,1105 17.434,1106 -1.802,1107 10.477,1108 12.51,1109 7.028,1110 21.147,1111 10.228,1112 2.746,1113 10.365,1114 19.249,1115 -2.402,1116 11.641,1117 13.999,1118 7.994,1119 23.508,1120 11.382,1121 2.284,1122 8.184,1123 21.074,1124 3.981,1125 12.682,1126 15.246,1127 8.654,1128 25.79,1129 12.417,1130 1.975,1131 6.634,1132 22.906,1133 3.163,1134 13.812,1135 16.686,1136 9.549,1137 28.131,1138 13.54,1139 1.57,1140 5.914,1141 24.744,1142 2.779,1143 14.893,1144 17.992,1145 10.263,1146 30.443,1147 14.616,1148 1.456,1149 3.643,1150 26.588,1151 2.33,1152 16.012,1153 19.405,1154 11.116,1155 32.779,1156 15.729,1157 1.216,1158 3.354,1159 28.436,1160 2.006,1161 17.112,1162 20.743,1163 11.862,1164 35.104,1165 16.825,1166 4844,1167 7436,1168 14.909,1169 29.296,1170 34.171,1171 34.26,1172 34.819,1173 32.892,1174 32.846,1175 39.728,1176 8.689,1177 89.714,1178 31.686,1179 5.29,1180 5.775,1181 6.411,1182 5.163,1183 5.096,1184 6.981,1185 3.912,1186 17.023,1187 5.058,1188 11.976,1189 1.486,1190 1.49,1191 1.514,1192 1.43,1193 1.428,1194 1.727,1195 0.378,1196 3.901,1197 1.378,1198 4.033,1199 4.062,1200 3.972,1201 3.963,1202 7.433,1203 3.961,1204 3.748,1205 3.815,1206 3.634,1207 3.567,1208 5.432,1209 3.563,1210 3.585,1211 3.639,1212 3.476,1213 3.444,1214 4.811,1215 3.445,1216 3.479,1217 3.541,1218 3.346,1219 3.303,1220 4.337,1221 3.305,1222 3.362,1223 3.425,1224 3.215,1225 3.193,1226 4.211,1227 3.195,1228 3.041,1229 3.103,1230 2.898,1231 2.871,1232 4.034,1233 2.867,1234 2.978,1235 3.076,1236 2.789,1237 2.763,1238 3.936,1239 2.743,1240 2.917,1241 2.971,1242 2.63,1243 2.621,1244 3.645,1245 2.636,1246 0.191,1247 0.164,1248 0.285,1249 0.178,1250 0.135,1251 4.382,1252 0.173,1253 3.775,1254 0.096,1255 6.547,1256 0.451,1257 4.083,1258 0.133,1259 3.096,1260 3.981,1261 2.208,1262 10.365,1263 3.058,1264 1.894,1265 1.876,1266 1.991,1267 1.992,1268 1.267,1269 1.989,1270 1.715,1271 1.646,1272 1.972,1273 1.912,1274 1.187,1275 1.933,1276 1.636,1277 1.575,1278 1.855,1279 1.822,1280 1.174,1281 1.837,1282 1.437,1283 1.385,1284 1.707,1285 1.687,1286 0.831,1287 1.698,1288 1.407,1289 1.336,1290 1.651,1291 1.575,1292 0.728,1293 1.606,1294 1.073,1295 1.032,1296 1.455,1297 1.31,1298 0.577,1299 1.358,1300 1.02,1301 0.911,1302 1.282,1303 1.278,1304 0.442,1305 1.276,1306 0.841,1307 0.793,1308 1.1,1309 1.129,1310 0.2,1311 1.119,1312 3.85,1314 5.118,1315 2.398,1316 6.578,1317 4.727,1318 8.134,1319 6.823,1320 9.746,1322 3.867,1328 5.361,1329 3.332,1330 5.47,1332 0.252,1333 1.616,1337 5.308,1339 2.604,1340 27.267,1341 64.986,1342 157.109,1343 218.309,1344 232.574,1345 232.574,1346 232.574,1347 41.537,1348 6.547,1349 41.57,1350 41.57,1351 11,1352 12.084,1353 3.17,1354 2.807,1355 42.31,1356 77,1357 88,1358 0.273,1359 172.662,1360 308.08,1361 413.056,1362 5212,1364 15.949,1365 0.725,1366 0.609,1367 15.949,1368 13.393,1369 10.651,1370 0.463,1371 0.343,1372 7.783,1373 10.289,1374 7.536,1375 6.344,1376 10.651,1377 7.879,1378 8.915,1379 0.297,1380 0.189,1381 8.915,1382 5.68,1383 7.288,1384 0.192,1385 0.106,1386 7.288,1387 4.01,1388 5.545,1389 0.118,1390 0.058,1391 5.545,1392 2.703,1393 4.413,1394 0.079,1395 0.032,1396 4.413,1397 1.785,1398 0.428,1399 66.416,1400 0.259,1401 21.939,1402 0.742,1403 106,1404 293.449,1405 116.555,1406 283.127,1407 380.99,1408 264,1409 121,1410 274.782,1411 131.143,1412 278.798,1413 403.85,1414 260,1415 4.936}
{0 CHEMBL1790041,1 1.729,2 11.19,3 1.466,4 2.15,5 85.127,6 7.313,7 0.238,8 3.833,9 3.97,10 3.412,11 3.253,12 4.945,13 3.204,14 4.356,15 4.569,16 3.64,17 3.582,18 5.513,19 3.495,20 4.471,21 4.68,22 3.606,23 3.651,24 5.427,25 3.522,26 4.609,27 4.887,28 3.624,29 3.685,30 5.55,31 3.517,32 4.52,33 4.754,34 3.513,35 3.596,36 5.524,37 3.467,38 4.511,39 4.765,40 3.36,41 3.543,42 5.481,43 3.345,44 4.197,45 4.435,46 3.342,47 3.342,48 5.15,49 3.156,50 4.132,51 4.41,52 3.015,53 3.209,54 4.941,55 3.039,56 0.149,57 0.619,58 10.49,59 3.711,60 9.044,61 5.212,62 0.384,63 0.869,64 22.41,65 6.061,66 47.774,67 8.289,68 0.449,69 0.922,70 24.473,71 6.963,72 31.61,73 9.626,74 0.481,75 0.964,76 27.902,77 7.884,78 43.632,79 11.391,80 0.498,81 0.861,82 25.269,83 6.654,84 48.536,85 9.354,86 0.526,87 0.817,88 28.401,89 7.182,90 61.356,91 9.922,92 0.296,93 0.659,94 21.933,95 5.857,96 31.97,97 7.572,98 0.257,99 0.591,100 20.204,101 5.194,102 19.957,103 7.192,104 45,105 26,106 0.309,107 0.599,108 0.776,109 0.827,110 0.835,111 0.835,112 3.1,113 1.105,114 -1.89,115 -1.95,116 -1.95,121 30.2,126 3,127 4,139 1,141 1,144 2,154 2,168 2,176 1,179 1,180 2,184 1,191 1,192 2,195 2,197 1,200 1,206 1,209 4,214 1,224 1,232 2,235 1,237 1,244 2,249 1,259 1,261 1,268 1,269 1,272 1,274 1,281 606,282 13.715,283 13.715,284 13.715,285 13.715,286 13.715,287 12.538,288 19.828,289 8.55,290 14.237,291 10.343,292 10.343,293 10.343,294 10.343,295 10.343,296 8.507,297 24.185,298 4.045,299 11.093,300 3.697,301 2.07,302 1.082,303 0.797,304 0.75,305 0.75,306 3.738,310 1,311 1,312 1,313 458,314 4.243,317 72.51,325 1.819,326 19.327,328 1,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 47,338 235,339 4.124,340 4.25,341 5.675,342 3.75,343 2.763,344 3.735,345 3.272,346 7.971,347 2.728,348 4.05,349 3.687,350 5.406,351 3.499,352 2.561,353 3.592,354 2.612,355 7.118,356 2.402,357 3.462,358 2.998,359 5.029,360 3.177,361 2.243,362 2.654,363 0.916,364 6.084,365 2.097,366 3.37,367 2.728,368 4.415,369 2.895,370 1.95,371 2.507,372 0.647,373 4.551,374 1.84,375 2.918,376 2.625,377 4.338,378 2.694,379 1.776,380 1.954,381 0.247,382 4.34,383 1.629,384 2.618,385 2.241,386 3.673,387 2.408,388 1.504,389 1.615,390 0.172,391 3.215,392 1.333,393 2.214,394 1.725,395 3.281,396 1.784,397 0.863,398 1.093,400 1.879,401 0.782,402 1.877,403 1.239,404 3.068,405 1.605,406 0.687,407 0.819,409 1.545,410 0.624,411 1.591,412 1,413 2.551,414 1.247,415 0.327,416 0.373,418 0.485,419 0.299,420 1.097,421 0.76,422 2.461,423 0.834,424 -0.088,425 -0.102,427 -0.207,428 -0.079,429 1,430 0.698,431 2.31,432 0.599,433 -0.348,434 -0.39,436 -0.913,437 -0.327,438 0.799,439 0.053,440 1.779,441 0.208,442 -0.702,443 -0.804,445 -1.624,446 -0.63,447 0.442,448 0.003,449 1.396,451 -1,452 -1,454 -2,455 -0.9,456 0.066,457 -0.6,458 1.227,459 -0.1,460 -1,461 -1.176,463 -2,464 -1,466 -0.611,467 1.106,468 -0.161,469 -1.096,470 -1.566,471 -0.247,472 -2.527,473 -1.021,474 9.933,475 0.473,476 0.493,477 0.023,478 21.5,479 1.024,480 8,481 0.381,482 13.5,483 0.643,484 18.066,485 0.86,486 25.467,487 0.592,488 14.649,489 0.698,490 4.311,491 0.205,492 5.697,493 0.271,494 0.218,496 0.232,501 0.634,502 1.603,503 0.814,504 1.189,505 0.531,506 1.166,507 0.896,508 1.039,509 1.198,510 1.136,511 0.38,512 0.951,513 1.014,514 1.15,515 1.162,516 1.249,517 0.732,518 1.244,519 0.476,520 0.963,521 0.826,522 0.956,523 0.37,524 0.927,525 1.432,526 0.912,527 1.077,528 0.917,529 1.136,530 1.004,531 1.161,532 1.021,533 1.295,534 1.195,535 1.51,536 1.113,537 0.901,538 1.241,539 1.302,540 1.43,541 1.034,542 1.167,543 0.573,544 1.075,545 1.305,546 1.33,547 0.389,548 0.968,549 5,550 0.086,551 1.111,552 1.319,553 0.685,554 0.462,555 0.178,556 0.197,557 0.099,558 0.149,559 4532,560 14798,561 1.868,562 51.2,564 19,565 1,567 2,572 1.622,573 1.726,574 3.466,575 0.472,576 1,577 1,579 1,582 74.361,583 1.729,584 3.357,585 4.344,586 4.629,587 4.676,588 4.676,589 2.915,590 3.821,591 4.365,592 3.665,593 769.606,594 7.429,595 9115.78,597 1,599 1,600 233.329,601 1.475,602 4.302,603 0.238,604 0.007,605 0.043,606 0.06,607 0.03,608 0.023,609 0.012,610 0.014,611 0.007,612 0.011,613 0.444,614 0.33,615 1,616 2.681,617 99.58,618 0.139,619 -0.229,620 0.073,621 -0.05,622 0.011,623 -0.069,624 0.009,625 0.149,626 -0.054,627 0.024,628 0.273,629 0.074,630 -0.06,631 -0.04,632 -0.143,633 -0.149,634 -0.098,635 -0.212,636 0.223,637 0.005,638 0.152,639 0.045,640 0.178,641 0.078,642 -0.269,643 0.061,644 -0.095,645 0.064,646 -0.138,647 -0.034,648 -0.124,649 -0.083,650 -0.129,651 -0.065,652 -0.212,653 -0.104,654 -0.041,655 -0.186,656 0.002,657 -0.135,658 -0.08,659 -0.098,660 0.098,661 -0.072,662 -0.067,663 -0.123,664 0.093,665 0.079,666 2.485,667 3.349,668 0.238,669 20.041,670 1.01,671 1.146,672 0.658,673 0.434,674 0.625,675 3.091,676 3.296,677 3.332,678 3.497,679 3.401,680 3.332,681 3.296,682 3.135,683 3.135,684 3.178,685 6.868,686 0.585,687 314.46,688 3.091,689 4.554,690 5.303,691 6.116,692 6.887,693 7.703,694 8.484,695 9.302,696 10.09,697 10.908,698 9.3,700 2,701 1,710 1,715 2,718 1,720 2,722 5,741 43,743 8,745 21,747 43,748 13,749 4,756 1,757 1,772 6,773 7,777 3,779 1,782 2,784 1,786 1,789 1,790 1,792 1,793 22,794 6,795 2,796 8,797 1,802 4,808 1,809 3,828 1,853 2,854 1,855 1,859 1,860 1,862 1,864 3,868 21,876 4,877 2,879 1,881 1,893 7,898 1,899 2,901 12.167,902 8.317,903 4.917,904 2.244,907 1.289,908 1.22,909 0.895,910 8.451,911 7.158,912 3.314,913 3.767,914 4.041,915 4.467,916 4.42,917 4.379,918 4.408,919 4.172,920 4.261,921 4.563,922 1,923 22,924 7.702,926 2.954,927 0.026,929 7.944,931 14.541,933 10.664,936 2.444,937 51.333,941 235.422,942 104.645,943 44.816,945 60.254,947 32.22,948 72.425,949 295.676,950 44.816,951 30.859,952 15.058,953 54.974,955 14.96,956 22.669,957 255.87,958 50.747,959 235.422,960 117.241,961 60.254,962 32.22,964 235.422,965 9.507,966 50.747,968 45.157,969 72.085,971 32.22,972 235.422,973 105.07,974 104.645,977 235.422,978 51.456,979 61.983,980 36.022,981 60.254,982 235.422,983 105.07,984 104.645,986 0.551,987 0.276,988 0.149,989 0.072,990 8,991 5,992 0.233,993 10,995 1,996 3.426,997 130.155,999 5,1000 86.239,1001 1,1005 18.037,1006 9.839,1007 8.113,1009 99.4,1010 3.984,1013 5.7,1015 1.909,1017 36.022,1018 445.137,1019 26.5,1021 -0.485,1024 20.699,1026 0.921,1028 0.409,1031 43.418,1032 49.278,1034 0.319,1035 0.619,1036 0.801,1037 0.853,1038 0.862,1039 0.862,1040 4.491,1041 0.687,1042 5.242,1043 1.879,1044 3.97,1045 4.449,1046 3.586,1047 5.883,1048 3.852,1049 5.645,1050 0.327,1051 6.696,1052 1.545,1053 3.434,1054 4.248,1055 2.396,1056 6.447,1057 3.319,1058 6.906,1059 -0.088,1060 8.238,1061 0.485,1062 5.398,1063 6.478,1064 5.685,1065 9.405,1066 5.198,1067 8.199,1068 -0.348,1069 9.828,1070 -0.207,1071 5.602,1072 7.074,1073 4.512,1074 10.747,1075 5.421,1076 9.521,1077 -0.702,1078 11.45,1079 -0.913,1080 7.054,1081 8.786,1082 7.951,1083 13.191,1084 6.8,1085 10.86,1086 -1,1087 13.092,1088 -1.624,1089 7.623,1090 9.745,1091 6.557,1092 14.892,1093 7.392,1094 12.214,1095 -1,1096 14.749,1097 -2,1098 8.842,1099 11.238,1100 10.266,1101 17.121,1102 8.555,1103 2.763,1104 -1.096,1105 16.418,1106 -2,1107 9.608,1108 12.373,1109 8.548,1110 18.999,1111 9.338,1112 2.561,1113 7.971,1114 18.095,1115 -2.527,1116 10.712,1117 13.767,1118 12.603,1119 21.132,1120 10.402,1121 2.243,1122 7.118,1123 19.779,1124 3.735,1125 11.585,1126 14.988,1127 10.509,1128 23.1,1129 11.285,1130 1.95,1131 6.084,1132 21.47,1133 3.592,1134 12.634,1135 16.334,1136 14.954,1137 25.19,1138 12.305,1139 1.776,1140 4.551,1141 23.165,1142 2.654,1143 13.565,1144 17.597,1145 12.452,1146 27.204,1147 13.241,1148 1.504,1149 4.34,1150 24.863,1151 2.507,1152 14.587,1153 18.922,1154 17.312,1155 29.277,1156 14.242,1157 0.863,1158 3.215,1159 26.566,1160 1.954,1161 15.549,1162 20.206,1163 14.386,1164 31.314,1165 15.206,1166 4828,1167 8875,1168 13.118,1169 26.887,1170 29.732,1171 32.752,1172 30.304,1173 29.321,1174 29.347,1175 36.681,1176 15.736,1177 74.378,1178 27.468,1179 5.049,1180 6.011,1181 5.449,1182 4.859,1183 4.749,1184 6.347,1185 6.545,1186 13.548,1187 4.616,1188 13.45,1189 1.416,1190 1.56,1191 1.443,1192 1.396,1193 1.397,1194 1.747,1195 0.749,1196 3.542,1197 1.308,1198 3.95,1199 3.967,1200 3.99,1201 3.812,1202 7.816,1203 3.818,1204 3.848,1205 3.893,1206 3.812,1207 3.569,1208 6.999,1209 3.6,1210 3.565,1211 3.642,1212 3.706,1213 3.407,1214 5.034,1215 3.363,1216 3.506,1217 3.572,1218 3.374,1219 3.269,1220 4.541,1221 3.266,1222 3.341,1223 3.433,1224 3.289,1225 2.975,1226 4.272,1227 3.021,1228 3.077,1229 3.153,1230 2.98,1231 2.921,1232 4.05,1233 2.883,1234 2.874,1235 3.009,1236 2.646,1237 2.618,1238 3.758,1239 2.588,1240 2.844,1241 2.933,1242 2.507,1243 2.604,1244 3.621,1245 2.57,1246 0.196,1247 0.202,1248 0.27,1249 0.179,1250 0.132,1251 4.124,1252 0.178,1253 4.25,1254 0.156,1255 5.675,1256 0.38,1257 3.75,1258 0.13,1259 2.763,1260 3.735,1261 3.272,1262 7.971,1263 2.728,1264 1.695,1265 1.642,1266 1.868,1267 2.013,1268 1.123,1269 1.945,1270 1.647,1271 1.589,1272 1.846,1273 1.882,1274 1.032,1275 1.881,1276 1.568,1277 1.539,1278 1.709,1279 1.745,1280 0.877,1281 1.754,1282 1.394,1283 1.332,1284 1.649,1285 1.658,1286 0.749,1287 1.629,1288 1.275,1289 1.215,1290 1.53,1291 1.578,1292 0.656,1293 1.596,1294 1.225,1295 1.13,1296 1.491,1297 1.529,1298 0.488,1299 1.531,1300 0.934,1301 0.804,1302 1.417,1303 1.239,1304 0.469,1305 1.308,1306 0.846,1307 0.776,1308 1.174,1309 1.137,1310 0.351,1311 1.162,1312 3.761,1314 4.99,1315 2.398,1316 6.358,1317 4.595,1318 7.794,1319 6.555,1320 9.274,1322 5.644,1328 3.073,1329 5.708,1331 1.715,1333 2.056,1340 25.158,1341 74.361,1342 144.333,1343 186.8,1344 199.065,1345 201.065,1346 201.065,1347 48.799,1348 5.869,1349 86.26,1350 111.56,1351 5,1352 11.498,1353 3.17,1354 2.7,1355 54.338,1356 88,1357 67,1358 0.301,1359 166.665,1360 288.52,1361 398.422,1362 2326,1364 15.665,1365 0.746,1366 0.638,1367 16.018,1368 13.404,1369 10.007,1370 0.477,1371 0.368,1372 6.522,1373 8.866,1374 6.142,1375 5.21,1376 10.507,1377 7.734,1378 8.716,1379 0.335,1380 0.222,1381 9.214,1382 5.768,1383 5.561,1384 0.206,1385 0.129,1386 6.118,1387 3.481,1388 4.52,1389 0.141,1390 0.074,1391 5.028,1392 2.378,1393 2.893,1394 0.1,1395 0.052,1396 3.417,1397 1.505,1398 0.496,1399 69.589,1400 0.276,1401 21.792,1402 0.757,1403 94,1404 350.023,1405 127.572,1406 346.819,1407 443.61,1408 320,1409 100,1410 296.164,1411 129.947,1412 302.032,1413 421.55,1414 276,1415 5.638}
{0 CHEMBL179192,1 1.399,2 14.775,3 6.765,4 45.771,5 167.228,6 6.911,7 0.489,8 4.451,9 4.578,10 3.999,11 4.068,12 5.383,13 3.996,14 5.043,15 5.233,16 4.359,17 4.498,18 5.911,19 4.39,20 5.347,21 5.587,22 4.499,23 4.667,24 6.166,25 4.533,26 5.359,27 5.587,28 4.487,29 4.684,30 6.195,31 4.532,32 5.387,33 5.616,34 4.382,35 4.707,36 6.167,37 4.533,38 5.469,39 5.723,40 4.268,41 4.694,42 6.212,43 4.49,44 5.483,45 5.782,46 4.08,47 4.586,48 6.124,49 4.361,50 5.324,51 5.627,52 4.092,53 4.422,54 6.017,55 4.246,56 0.076,57 1.143,58 18.734,59 8.123,60 9.419,61 11.089,62 0.25,63 1.984,64 37.001,65 14.559,66 24.011,67 19.9,68 0.378,69 2.584,70 52.468,71 19.14,72 39.902,73 26.202,74 0.498,75 2.664,76 56.584,77 19.648,78 46.244,79 26.377,80 0.37,81 2.644,82 56.43,83 21.531,84 39.895,85 28.588,86 0.447,87 2.761,88 60.508,89 23.253,90 50.655,91 31.55,92 0.377,93 2.713,94 60.936,95 23.014,96 43.15,97 32.056,98 0.421,99 2.335,100 50.962,101 18.302,102 38.979,103 26.155,104 6,105 62,106 0.212,107 0.504,108 0.683,109 0.794,110 0.854,111 0.884,112 3.717,113 1.074,114 -5.74,115 -5.61,116 -5.23,121 42.5,122 1,123 10,127 4,144 8,145 4,146 2,148 4,160 1,176 16,179 1,180 12,185 3,187 21,192 8,197 2,200 14,206 8,209 2,211 4,214 23,224 2,227 22,232 7,235 1,237 2,239 22,244 4,251 8,255 2,256 12,261 1,264 8,269 8,277 8,281 3326,282 27.88,283 27.88,284 27.88,285 27.88,286 27.88,287 25.122,288 26.597,289 16.84,290 28.313,291 22.29,292 22.29,293 22.29,294 22.29,295 22.29,296 17.957,297 26.234,298 7.982,299 23.01,300 4.923,301 2.998,302 1.816,303 1.084,304 0.684,305 0.484,306 4.439,313 1331,314 4.359,318 588.396,322 674.228,325 2.292,326 23.803,329 0.5,330 0.33,331 0.67,332 0.7,333 0.5,334 0.83,335 1,336 0.65,337 83,338 591,339 4.64,340 4.463,341 6.829,342 4.207,343 3.226,344 4.564,345 2.95,346 11.348,347 3.162,348 4.64,349 3.666,350 6.829,351 4.192,352 3.226,353 4.564,354 1.94,355 11.348,356 3.113,357 3.914,358 3.361,359 5.982,360 3.676,361 2.721,362 3.437,363 0.555,364 8.37,365 2.593,366 3.914,367 3.211,368 5.982,369 3.524,370 2.532,371 3.437,372 0.4,373 8.37,374 2.512,375 3.882,376 2.687,377 5.91,378 3.524,379 2.532,380 3.031,382 8.133,383 2.512,384 3.522,385 2.669,386 5.381,387 3.131,388 2.179,389 2.893,391 6.711,392 2.074,393 3.521,394 2.519,395 5.381,396 3.093,397 2.176,398 2.892,400 6.711,401 1.988,402 2.94,403 2.37,404 4.116,405 2.621,406 1.63,407 2.142,409 3.598,410 1.607,411 2.939,412 2.293,413 4.116,414 2.556,415 1.6,416 2.142,418 3.525,419 1.524,420 2.815,421 1.755,422 4,423 2.508,424 1.516,425 1.806,427 3.329,428 1.501,429 2.674,430 1.729,431 3.96,432 2.489,433 1.502,434 1.706,436 3.329,437 1.476,438 2.601,439 1.509,440 3.857,441 2.345,442 1.347,443 1.624,445 3.262,446 1.343,447 2.537,448 1.461,449 3.666,450 2.345,451 1.347,452 1.543,454 3.143,455 1.343,456 2.489,457 1.429,458 3.594,459 2.242,460 1.247,461 1.488,463 2.902,464 1.24,465 2.482,466 1.35,467 3.594,468 2.242,469 1.247,470 1.482,472 2.902,473 1.24,474 19.767,475 0.494,476 0.743,477 0.019,478 47.5,479 1.188,480 22.5,481 0.563,482 25,483 0.625,484 45.797,485 1.145,486 42.633,487 0.533,488 33.591,489 0.84,490 8.109,491 0.203,492 11.578,493 0.289,494 0.042,496 0.298,501 0.744,502 1.211,503 0.836,504 1.004,505 0.564,506 0.987,507 0.818,508 1.168,509 0.997,510 1.055,511 0.56,512 1.013,513 1.199,514 0.993,515 0.962,516 0.891,517 1,518 0.875,519 1.362,520 1.032,521 1.279,522 1.103,523 1.237,524 1.039,525 1.165,526 1.097,527 1.306,528 1.199,529 1.151,530 1.152,531 0.905,532 1.136,533 1.203,534 1.222,535 1.002,536 1.201,537 0.732,538 1.018,539 0.999,540 1.037,541 0.625,542 1.013,543 0.84,544 0.846,545 0.767,546 0.812,547 0.703,548 0.806,549 5,550 0.289,551 4.222,552 2.75,553 2.48,554 0.819,555 0.478,556 0.354,557 0.51,558 0.457,559 31269,560 63054,561 2.182,562 50,563 12,564 16,567 1,568 7,570 4,572 1.796,573 2.105,574 3.738,575 -0.466,582 111.903,583 1.399,584 3.324,585 4.506,586 5.237,587 5.637,588 5.837,589 3.023,590 3.772,591 5.304,592 4.052,593 3160.91,594 9.332,595 58634.7,600 505.754,601 1.141,602 5.28,603 0.111,604 0.006,605 0.068,606 0.04,607 0.039,608 0.014,609 0.01,610 0.008,611 0.011,612 0.008,613 0.317,614 0.17,615 0.63,616 0.482,617 229.481,618 0.025,619 -0.066,620 0.08,621 0.028,622 0.037,623 0.038,624 0.081,625 -0.07,626 0.014,627 -0.022,628 0.093,629 -0.01,630 -0.059,631 0.061,632 0.09,633 0.115,634 -0.02,635 0.103,636 -0.097,637 0.059,638 -0.087,639 -0.026,640 -0.117,641 -0.056,642 -0.156,643 -0.062,644 -0.182,645 -0.12,646 -0.142,647 -0.145,648 -0.014,649 -0.159,650 -0.168,651 -0.192,652 -0.067,653 -0.198,654 0.026,655 -0.089,656 -0.017,657 -0.059,658 0.007,659 -0.022,660 0.146,661 0.097,662 0.16,663 0.107,664 0.101,665 0.158,666 1.497,667 5.487,668 0.7,669 42.735,670 0.984,671 1.12,672 4.513,673 20.369,674 0.673,675 3.829,676 4.143,677 4.466,678 4.771,679 5.056,680 5.124,681 5.263,682 5.394,683 5.493,684 5.384,685 9.383,686 0.618,687 552.85,688 3.829,689 5.371,690 6.236,691 7.12,692 8.006,693 8.899,694 9.792,695 10.69,696 11.587,697 12.487,698 5,703 1,705 1,708 2,714 4,715 8,716 2,720 6,722 22,734 1,741 80,743 23,744 2,745 45,747 85,748 34,749 18,750 4,751 8,756 6,757 12,763 1,767 8,770 10,772 19,773 15,777 1,782 1,786 1,793 40,794 5,795 1,796 6,797 1,802 4,808 0.333,809 1,822 2,829 6,833 4,844 1,859 2,860 1,862 1,864 1,868 40,876 14,877 1,879 1,881 1,893 1.3,896 1,901 19,902 14.6,903 8.833,904 5.554,907 4.601,908 1.513,909 1.016,910 8.774,911 13.569,912 4.06,913 4.663,914 5.298,915 5.93,916 6.548,917 6.878,918 7.259,919 7.611,920 7.92,921 7.76,922 1,923 68,924 14.912,926 6.354,927 0.026,929 7.417,931 29.926,933 25.701,936 1.917,937 76.667,941 459.073,942 179.748,943 54.706,945 25.145,947 32.22,948 147.528,949 484.218,950 54.706,951 8.825,952 35.686,953 75.81,954 81.431,955 25.626,957 491.293,959 459.073,960 202.234,961 25.145,962 32.22,964 411.989,965 72.229,968 54.313,969 96.339,970 51.582,971 32.22,972 459.073,973 79.851,974 179.748,977 459.073,978 95.113,979 87.759,980 18.011,981 58.716,982 459.073,983 79.851,984 179.748,986 0.572,987 0.344,988 0.2,989 0.114,990 30,991 12,992 0.118,993 10,994 4,995 1.286,996 5.108,997 400.778,998 0.286,999 28,1000 210.877,1001 1,1005 27.394,1006 12.812,1007 6.129,1008 4.7,1009 79.851,1010 17.053,1011 9.946,1015 8.115,1017 18.011,1018 718.672,1019 57,1024 12.487,1028 0.17,1031 78.716,1032 89.596,1034 0.221,1035 0.526,1036 0.713,1037 0.828,1038 0.892,1039 0.923,1040 5.301,1041 1.63,1042 6.201,1043 6.711,1044 4.828,1045 5.352,1046 3.235,1047 7.027,1048 4.768,1049 6.488,1050 1.6,1051 7.76,1052 3.598,1053 4.29,1054 5.198,1055 1.668,1056 7.974,1057 4.205,1058 7.797,1059 1.516,1060 9.429,1061 3.525,1062 6.418,1063 7.607,1064 5.141,1065 11.132,1066 6.299,1067 9.149,1068 1.502,1069 11.168,1070 3.329,1071 6.781,1072 8.36,1073 3.13,1074 12.959,1075 6.634,1076 10.542,1077 1.347,1078 12.95,1079 3.329,1080 8.322,1081 10.228,1082 7.23,1083 15.622,1084 8.15,1085 11.963,1086 1.347,1087 14.763,1088 3.262,1089 9.115,1090 11.394,1091 4.539,1092 17.795,1093 8.913,1094 13.407,1095 1.247,1096 16.597,1097 3.143,1098 10.417,1099 13.051,1100 9.366,1101 20.301,1102 10.192,1103 3.226,1104 1.247,1105 18.446,1106 2.902,1107 11.412,1108 14.409,1109 5.912,1110 22.618,1111 11.156,1112 3.226,1113 11.348,1114 20.306,1115 2.902,1116 12.62,1117 15.981,1118 11.519,1119 25.071,1120 12.341,1121 2.721,1122 11.348,1123 22.176,1124 4.564,1125 13.707,1126 17.426,1127 7.263,1128 27.45,1129 13.399,1130 2.532,1131 8.37,1132 24.052,1133 4.564,1134 14.882,1135 18.965,1136 13.678,1137 29.886,1138 14.549,1139 2.532,1140 8.37,1141 25.934,1142 3.437,1143 16.012,1144 20.449,1145 8.602,1146 32.292,1147 15.65,1148 2.179,1149 8.133,1150 27.822,1151 3.437,1152 17.177,1153 21.975,1154 15.84,1155 34.722,1156 16.789,1157 2.176,1158 6.711,1159 29.713,1160 3.031,1161 18.326,1162 23.477,1163 9.936,1164 37.14,1165 17.91,1166 28299,1167 40354,1168 31.205,1169 53.83,1170 66.743,1171 70.813,1172 68.253,1173 66.716,1174 66.739,1175 84.885,1176 11.692,1177 189.698,1178 64.725,1179 5.604,1180 6.463,1181 6.532,1182 5.321,1183 5.226,1184 7.564,1185 5.9,1186 18.879,1187 5.162,1188 12.293,1189 1.483,1190 1.574,1191 1.517,1192 1.483,1193 1.483,1194 1.886,1195 0.26,1196 4.216,1197 1.438,1198 4.132,1199 4.162,1200 4.156,1201 4.071,1202 7.428,1203 4.066,1204 4.083,1205 4.109,1206 4.067,1207 4.025,1208 4.984,1209 4.024,1210 3.79,1211 3.852,1212 3.734,1213 3.655,1214 4.947,1215 3.641,1216 3.732,1217 3.781,1218 3.63,1219 3.65,1220 4.413,1221 3.635,1222 3.731,1223 3.78,1224 3.616,1225 3.607,1226 4.403,1227 3.605,1228 3.544,1229 3.617,1230 3.592,1231 3.432,1232 4.272,1233 3.386,1234 3.439,1235 3.492,1236 3.361,1237 3.277,1238 4.13,1239 3.265,1240 3.257,1241 3.317,1242 3.136,1243 3.133,1244 4.004,1245 3.118,1246 0.103,1247 0.099,1248 0.152,1249 0.093,1250 0.072,1251 4.64,1252 0.101,1253 4.463,1254 0.066,1255 6.829,1256 0.252,1257 4.207,1258 0.07,1259 3.226,1260 4.564,1261 2.95,1262 11.348,1263 3.162,1264 2.072,1265 2.047,1266 2.158,1267 2.163,1268 1.437,1269 2.163,1270 2.067,1271 2.046,1272 2.143,1273 2.141,1274 1.435,1275 2.148,1276 1.754,1277 1.709,1278 1.957,1279 1.951,1280 1.282,1281 1.956,1282 1.754,1283 1.709,1284 1.948,1285 1.872,1286 1.181,1287 1.902,1288 1.737,1289 1.674,1290 1.945,1291 1.872,1292 1.142,1293 1.901,1294 1.551,1295 1.486,1296 1.807,1297 1.74,1298 1.111,1299 1.771,1300 1.405,1301 1.351,1302 1.677,1303 1.624,1304 0.776,1305 1.65,1306 1.259,1307 1.204,1308 1.487,1309 1.432,1310 0.757,1311 1.458,1312 4.511,1314 5.826,1316 7.357,1318 8.997,1320 10.697,1322 1.708,1328 14.738,1329 3.757,1331 1.962,1333 2.03,1340 49.47,1341 111.903,1342 265.909,1343 360.47,1344 418.999,1345 450.999,1346 466.999,1347 63.226,1348 8.968,1349 58.12,1350 83.42,1351 36,1352 13.009,1353 4.585,1354 3.7,1355 57.585,1356 231,1357 160,1358 0.116,1359 302.653,1360 521.26,1361 730.233,1362 147577,1364 27.313,1365 0.683,1366 0.612,1367 27.667,1368 24.493,1369 19.687,1370 0.437,1371 0.358,1372 15.114,1373 18.84,1374 14.669,1375 12.093,1376 20.141,1377 16.105,1378 17.206,1379 0.278,1380 0.199,1381 17.763,1382 12.32,1383 14.95,1384 0.174,1385 0.113,1386 15.646,1387 9.705,1388 13.024,1389 0.111,1390 0.065,1391 13.81,1392 7.607,1393 11.291,1394 0.072,1395 0.038,1396 12.086,1397 5.984,1398 0.189,1399 125.084,1400 0.179,1401 36.463,1402 0.299,1403 214,1404 475.864,1405 246.74,1406 492.422,1407 697.3,1408 468,1409 255,1410 513.834,1411 285.863,1412 534.814,1413 792.96,1414 510,1415 7.874}
{0 CHEMBL179320,1 1.446,2 11.154,3 4.673,4 21.837,5 97.424,6 7.213,7 0.414,8 3.997,9 4.097,10 3.544,11 3.528,12 5.047,13 3.512,14 4.574,15 4.721,16 3.966,17 3.952,18 5.653,19 3.919,20 4.819,21 4.995,22 3.983,23 4.095,24 5.809,25 4.029,26 4.919,27 5.145,28 3.804,29 4.023,30 5.887,31 3.917,32 4.752,33 4.992,34 3.662,35 3.792,36 5.779,37 3.698,38 4.484,39 4.708,40 3.473,41 3.547,42 5.502,43 3.484,44 4.253,45 4.44,46 3.49,47 3.487,48 5.41,49 3.447,50 4.375,51 4.572,52 3.443,53 3.499,54 5.591,55 3.447,56 0.02,57 0.652,58 10.518,59 4.954,60 7.872,61 6.16,62 0.446,63 1.079,64 20.848,65 8.512,66 39.751,67 10.888,68 0.228,69 1.359,70 27.08,71 10.798,72 31.59,73 13.976,74 0.404,75 1.414,76 32.121,77 11.49,78 51.287,79 15.364,80 0.419,81 1.172,82 27.722,83 9.448,84 53.477,85 12.867,86 0.454,87 0.895,88 21.412,89 6.771,90 41.351,91 8.988,92 0.297,93 0.787,94 15.681,95 5.366,96 32.344,97 7.25,98 0.446,99 0.823,100 18.675,101 5.965,102 56.219,103 7.771,104 18,105 43,106 0.246,107 0.584,108 0.746,109 0.829,110 0.836,111 0.836,112 3.304,113 0.928,114 -4.53,115 -4.46,116 -4.2,121 42.9,122 3,123 1,124 1,125 1,127 1,130 1,144 7,145 2,146 3,161 1,176 12,179 2,180 7,183 2,185 2,187 15,192 8,197 2,200 13,206 9,211 3,214 7,218 1,219 9,224 3,227 2,231 1,232 3,237 3,239 4,243 1,244 4,247 1,249 2,251 8,255 1,256 4,259 1,264 8,269 2,277 10,281 956,282 17.289,283 17.289,284 17.289,285 17.289,286 17.289,287 15.75,288 25.693,289 9.869,290 17.571,291 14.295,292 14.295,293 14.295,294 14.295,295 14.295,296 11.869,297 30.427,298 4.658,299 14.745,300 4.169,301 2.177,302 1.228,303 0.74,304 0.699,305 0.699,306 3.997,311 1,312 1,313 641,314 3.742,317 108.514,318 145.051,320 87.157,321 91.652,324 128.521,325 1.781,326 24.687,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 56.5,338 290,339 4.755,340 3.956,341 7.887,342 4.642,343 3.649,344 4.153,345 2.186,346 14.705,347 3.621,348 4.126,349 3.675,350 5.985,351 3.791,352 2.803,353 3.691,354 1.392,355 8.283,356 2.777,357 3.955,358 2.993,359 5.931,360 3.614,361 2.661,362 3.283,363 0.532,364 8.214,365 2.524,366 3.727,367 2.779,368 5.523,369 3.422,370 2.451,371 2.988,372 0.366,373 7.385,374 2.37,375 3.482,376 2.546,377 5.264,378 3.131,379 2.185,380 2.726,382 6.661,383 2.05,384 3.23,385 2.47,386 5.244,387 2.867,388 1.898,389 2.41,391 5.865,392 1.826,393 2.963,394 2.379,395 4.616,396 2.748,397 1.766,398 2.04,400 4.875,401 1.721,402 2.5,403 1.57,404 4.116,405 2.225,406 1.231,407 1.5,409 2.972,410 1.221,411 2.452,412 1.314,413 3.769,414 2.114,415 1.136,416 1.442,418 2.91,419 1.109,420 2.42,421 1.156,422 3.646,423 2.016,424 1.06,425 1.4,427 2.503,428 1.003,429 2.14,430 1,431 3.414,432 2,433 1,434 1.135,436 2.275,437 1,438 1.49,439 0.906,440 3.153,441 1.231,442 0.308,443 0.345,445 0.816,446 0.281,447 1.252,448 0.565,449 2.97,450 0.938,451 -0.017,452 -0.019,454 -0.043,455 -0.016,456 0.953,457 0.322,458 2.813,459 0.658,460 -0.315,461 -0.378,463 -0.805,464 -0.302,465 0.613,466 -0.218,467 2.415,468 0.267,469 -0.701,470 -0.771,472 -1.879,473 -0.664,474 12.233,475 0.471,476 0.805,477 0.031,478 31.75,479 1.221,480 15,481 0.577,482 16.75,483 0.644,484 22.833,485 0.878,486 28.567,487 0.583,488 22.533,489 0.867,490 5.842,491 0.225,492 6.611,493 0.254,494 0.15,495 0.041,496 0.327,501 0.801,502 1.223,503 0.79,504 1.142,505 0.684,506 0.988,507 0.762,508 0.955,509 0.788,510 0.932,511 0.517,512 0.88,513 1.044,514 1.21,515 1.039,516 1.188,517 0.791,518 1.125,519 1.163,520 1.07,521 1.08,522 1.058,523 0.884,524 1.055,525 1.065,526 1.032,527 0.934,528 0.994,529 1.385,530 0.948,531 1.438,532 0.885,533 1.011,534 0.779,535 1.599,536 0.809,537 0.953,538 1.089,539 0.956,540 0.995,541 1.317,542 0.96,543 1.447,544 0.873,545 1.145,546 0.871,547 2.515,548 0.927,549 7,550 0.092,551 3.778,552 2.549,553 1.218,554 0.851,555 0.501,556 0.315,557 0.268,558 0.217,559 8726,560 20194,561 2.092,562 46.9,563 10,564 9,565 1,567 1,569 2,572 1.685,573 1.938,574 3.417,575 -0.37,582 70.84,583 1.446,584 3.438,585 4.387,586 4.875,587 4.915,588 4.915,589 2.888,590 4.316,591 4.674,592 3.629,593 1179.34,594 8.066,595 14969.9,597 1,600 275.121,601 1.619,602 4.616,603 0.241,604 0.005,605 0.088,606 0.061,607 0.037,608 0.03,609 0.021,610 0.013,611 0.012,612 0.011,613 0.518,614 0.33,615 1,616 0.777,617 128.52,618 -0.023,619 -0.073,620 0.068,621 -0.05,622 -0.077,623 0.015,624 0.271,625 0.11,626 0.149,627 0.103,628 0.224,629 0.1,630 -0.086,631 -0.179,632 -0.098,633 -0.173,634 -0.029,635 -0.143,636 -0.116,637 -0.109,638 -0.085,639 -0.091,640 -0.008,641 -0.084,642 0.035,643 -0.088,644 0.085,645 -0.048,646 -0.006,647 0.016,648 -0.078,649 0.083,650 0.041,651 0.146,652 -0.142,653 0.119,654 0.125,655 0.015,656 0.021,657 -0.045,658 0.076,659 -0.028,660 -0.044,661 0.156,662 -0.107,663 0.055,664 -0.144,665 -0.018,666 2.175,667 5.219,668 0.692,669 22.598,670 1.003,671 1.12,672 3.302,673 10.901,674 0.657,675 3.401,676 3.784,677 4.078,678 4.357,679 4.543,680 4.635,681 4.787,682 4.828,683 4.812,684 4.905,685 6.702,686 0.626,687 353.45,688 3.401,689 4.977,690 5.849,691 6.758,692 7.652,693 8.567,694 9.472,695 10.392,696 11.305,697 12.229,698 2,705 1,715 7,720 5,722 12,737 1,739 1,741 49,743 13,744 2,745 29,747 52,748 21,749 12,750 5,751 7,756 4,757 7,763 3,764 1,766 1,767 1,770 1,772 13,773 8,774 1,777 1,782 1,786 1,790 1,793 23,794 5,795 1,796 5,802 1,808 0.5,809 4,815 1,828 2,829 2,831 1,832 1,835 1,858 1,859 2,864 3,868 26,876 2,877 1,878 3,880 2,882 1,893 8.2,896 1,897 1,898 2,901 13.417,902 9.667,903 5.514,904 3.069,907 2.201,908 1.289,909 0.959,910 4.412,911 9.816,912 3.611,913 4.19,914 4.705,915 5.24,916 5.731,917 5.896,918 6.213,919 6.411,920 6.447,921 6.716,922 1,923 42,924 9.655,926 4.192,927 0.026,929 7.689,931 18.592,933 15.751,936 2.189,937 56.917,939 1,940 1,941 258.964,942 126.673,943 18.011,945 58.145,948 126.673,949 317.109,950 18.011,951 26.476,952 25.138,953 66.693,954 36.145,955 41.615,956 18.534,957 247.193,959 258.964,960 144.684,961 58.145,964 235.422,965 70.687,966 11,967 0.36,968 51.613,969 92.711,972 258.964,973 76.155,974 126.673,977 259.324,978 33.504,979 92.809,980 18.011,981 58.145,982 258.964,983 76.155,984 126.673,986 0.599,987 0.351,988 0.183,989 0.094,990 23,991 10,992 0.077,993 4,994 2,995 1.222,996 3.829,997 222.143,998 0.222,999 18,1000 116.211,1005 17.379,1006 6.6,1007 3.228,1009 76.155,1010 13.24,1015 4.266,1017 18.011,1018 461.793,1019 36,1024 12.219,1028 -0.509,1031 49.131,1032 54.903,1034 0.257,1035 0.612,1036 0.781,1037 0.868,1038 0.875,1039 0.875,1040 4.898,1041 1.231,1042 5.889,1043 4.875,1044 4.466,1045 4.875,1046 2.637,1047 6.79,1048 4.409,1049 6.115,1050 1.136,1051 7.514,1052 2.972,1053 4.29,1054 4.758,1055 1.784,1056 8.12,1057 4.237,1058 7.446,1059 1.06,1060 9.257,1061 2.91,1062 6.188,1063 7,1064 3.7,1065 11.235,1066 6.096,1067 8.814,1068 1,1069 11.08,1070 2.503,1071 6.847,1072 7.635,1073 3.59,1074 13.493,1075 6.77,1076 10.217,1077 0.308,1078 12.959,1079 2.275,1080 8.292,1081 9.422,1082 5.007,1083 16.27,1084 8.191,1085 11.645,1086 -0.017,1087 14.882,1088 0.816,1089 9.317,1090 10.406,1091 5.289,1092 18.838,1093 9.229,1094 13.094,1095 -0.315,1096 16.839,1097 -0.043,1098 10.628,1099 12.002,1100 6.433,1101 21.545,1102 10.528,1103 3.649,1104 -0.701,1105 18.823,1106 -0.805,1107 11.808,1108 13.17,1109 6.93,1110 24.201,1111 11.713,1112 2.803,1113 14.705,1114 20.827,1115 -1.879,1116 13.088,1117 14.674,1118 7.922,1119 26.894,1120 12.986,1121 2.661,1122 8.283,1123 22.847,1124 4.153,1125 14.333,1126 15.945,1127 8.539,1128 29.573,1129 14.23,1130 2.451,1131 8.214,1132 24.878,1133 3.691,1134 15.611,1135 17.402,1136 9.444,1137 32.262,1138 15.503,1139 2.185,1140 7.385,1141 26.918,1142 3.283,1143 16.882,1144 18.733,1145 10.13,1146 34.948,1147 16.77,1148 1.898,1149 6.661,1150 28.965,1151 2.988,1152 18.166,1153 20.167,1154 10.985,1155 37.636,1156 18.047,1157 1.766,1158 5.865,1159 31.016,1160 2.726,1161 19.449,1162 21.534,1163 11.71,1164 40.324,1165 19.324,1166 8239,1167 12709,1168 19.186,1169 32.199,1170 44.707,1171 45.904,1172 45.935,1173 44.266,1174 44.298,1175 54.224,1176 8.951,1177 134.928,1178 43.006,1179 5.717,1180 5.956,1181 7.328,1182 5.734,1183 5.649,1184 7.153,1185 3.889,1186 22.9,1187 5.621,1188 13.239,1189 1.542,1190 1.583,1191 1.584,1192 1.526,1193 1.528,1194 1.87,1195 0.309,1196 4.653,1197 1.483,1198 4.057,1199 4.071,1200 4.008,1201 3.959,1202 7.435,1203 3.967,1204 3.945,1205 3.977,1206 3.88,1207 3.879,1208 4.963,1209 3.874,1210 3.667,1211 3.694,1212 3.585,1213 3.52,1214 4.754,1215 3.526,1216 3.536,1217 3.6,1218 3.41,1219 3.388,1220 4.617,1221 3.377,1222 3.312,1223 3.333,1224 3.216,1225 3.017,1226 4.261,1227 3.076,1228 3.107,1229 3.197,1230 2.891,1231 2.9,1232 4.15,1233 2.884,1234 2.968,1235 3.009,1236 2.855,1237 2.737,1238 3.905,1239 2.758,1240 2.874,1241 3,1242 2.687,1243 2.735,1244 3.841,1245 2.715,1246 0.164,1247 0.136,1248 0.272,1249 0.16,1250 0.126,1251 4.755,1252 0.143,1253 3.956,1254 0.075,1255 7.887,1256 0.507,1257 4.642,1258 0.125,1259 3.649,1260 4.153,1261 2.186,1262 14.705,1263 3.621,1264 1.939,1265 1.911,1266 2.069,1267 2.036,1268 1.31,1269 2.046,1270 1.894,1271 1.877,1272 1.999,1273 1.976,1274 1.252,1275 1.983,1276 1.586,1277 1.543,1278 1.803,1279 1.758,1280 0.971,1281 1.773,1282 1.538,1283 1.474,1284 1.787,1285 1.719,1286 0.909,1287 1.744,1288 1.306,1289 1.266,1290 1.589,1291 1.61,1292 0.787,1293 1.592,1294 1.144,1295 1.127,1296 1.417,1297 1.473,1298 0.469,1299 1.417,1300 0.934,1301 0.828,1302 1.277,1303 1.239,1304 0.386,1305 1.308,1306 0.897,1307 0.821,1308 1.238,1309 1.201,1310 0.228,1311 1.223,1312 4.078,1314 5.442,1315 3.045,1316 6.995,1317 5.533,1318 8.637,1319 7.735,1320 10.334,1322 6.389,1328 1.571,1329 2.763,1330 16.956,1332 0.204,1334 -0.183,1340 30.675,1341 70.84,1342 168.46,1343 214.94,1344 238.856,1345 240.856,1346 240.856,1347 42.014,1348 7.615,1349 56.79,1350 56.79,1351 22,1352 12.737,1353 3.807,1354 3,1355 38.367,1356 106,1357 102,1358 0.178,1359 184.924,1360 328.3,1361 442.973,1362 21741,1364 18.311,1365 0.704,1366 0.586,1367 18.311,1368 15.243,1369 12.453,1370 0.429,1371 0.309,1372 8.847,1373 11.96,1374 8.545,1375 7.098,1376 12.453,1377 8.972,1378 11.978,1379 0.279,1380 0.173,1381 11.978,1382 7.437,1383 10.043,1384 0.173,1385 0.09,1386 10.043,1387 5.245,1388 8.453,1389 0.11,1390 0.046,1391 8.453,1392 3.544,1393 6.513,1394 0.07,1395 0.024,1396 6.513,1397 2.228,1398 0.284,1399 78.247,1400 0.228,1401 25.33,1402 0.472,1403 144,1404 413.275,1405 160.778,1406 386.951,1407 534.53,1408 364,1409 173,1410 401.072,1411 189.117,1412 401.098,1413 596.72,1414 377,1415 5.577}
{0 CHEMBL179455,1 1.3,2 18.625,3 6.037,4 36.45,5 201.599,6 6.656,7 0.611,8 4.638,9 4.781,10 4.116,11 4.211,12 5.619,13 4.16,14 5.193,15 5.384,16 4.458,17 4.635,18 6.085,19 4.55,20 5.51,21 5.757,22 4.58,23 4.808,24 6.33,25 4.698,26 5.562,27 5.812,28 4.593,29 4.85,30 6.371,31 4.732,32 5.604,33 5.839,34 4.618,35 4.929,36 6.404,37 4.8,38 5.717,39 5.969,40 4.575,41 4.972,42 6.505,43 4.813,44 5.767,45 6.051,46 4.446,47 4.901,48 6.535,49 4.714,50 5.686,51 5.997,52 4.237,53 4.725,54 6.427,55 4.52,56 0.132,57 1.429,58 22.305,59 8.798,60 17.258,61 12.731,62 0.247,63 2.351,64 39.726,65 15.324,66 29.417,67 22.431,68 0.398,69 3.038,70 55.973,71 20.429,72 47.547,73 30.508,74 0.577,75 3.203,76 59.298,77 21.638,78 51.549,79 32.072,80 0.422,81 3.327,82 60.947,83 23.703,84 43.908,85 34.712,86 0.427,87 3.613,88 68.605,89 26.777,90 55.671,91 39.345,92 0.486,93 3.654,94 73.221,95 27.299,96 72.711,97 40.779,98 0.648,99 3.295,100 68.817,101 24.081,102 77.794,103 36.481,104 5,105 74,106 0.189,107 0.495,108 0.663,109 0.799,110 0.856,111 0.886,112 3.894,113 0.99,114 -5.29,115 -5.18,116 -4.84,121 42.7,123 7,127 6,144 15,145 6,146 3,148 4,165 2,166 2,167 2,176 21,180 4,185 11,187 26,189 9,192 4,197 5,200 22,203 8,206 2,209 1,210 2,211 6,213 2,214 29,216 6,217 1,224 5,226 1,227 32,229 5,230 1,232 1,237 16,239 27,241 8,249 16,251 15,253 9,259 1,260 2,261 11,263 2,264 11,266 3,273 2,274 5,276 3,277 8,279 1,280 1,281 5388,282 33.57,283 33.57,284 33.57,285 33.57,286 33.57,287 29.712,288 35.499,289 20.582,290 33.962,291 26.799,292 26.799,293 26.799,294 26.799,295 26.799,296 20.904,297 42.408,298 9.92,299 27.449,300 5.285,301 3.176,302 2.02,303 1.082,304 0.687,305 0.479,306 4.62,313 2012,314 4.359,318 872.271,322 852.681,325 2.458,326 24.713,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.49,337 99.5,338 894,339 4.839,340 3.417,341 7.141,342 4.369,343 3.393,344 4.905,345 0.4,346 12.515,347 3.314,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 4.564,354 0.4,355 11.348,356 3.162,357 4.167,358 2.758,359 6.325,360 3.736,361 2.744,362 3.884,363 0.4,364 9.493,365 2.721,366 4.053,367 2.679,368 6.102,369 3.599,370 2.624,371 3.689,373 8.753,374 2.557,375 3.914,376 2.669,377 5.982,378 3.524,379 2.532,380 3.437,382 8.37,383 2.512,384 3.602,385 2.359,386 5.381,387 3.179,388 2.209,389 3.068,391 6.711,392 2.141,393 3.577,394 2.309,395 5.245,396 3.146,397 2.182,398 3,400 6.315,401 2.108,402 3.522,403 2.267,404 5.021,405 3.135,406 2.172,407 2.893,409 5.986,410 2.078,411 3.347,412 2.142,413 4.881,414 2.894,415 1.928,416 2.697,418 5.405,419 1.878,420 2.948,421 1.965,422 4.22,423 2.878,424 1.908,425 2.142,427 3.905,428 1.832,429 2.933,430 1.952,431 4.116,432 2.7,433 1.745,434 1.982,436 3.664,437 1.666,438 2.836,439 1.708,440 4.073,441 2.52,442 1.538,443 1.942,445 3.409,446 1.51,447 2.779,448 1.522,449 3.989,450 2.465,451 1.479,452 1.804,454 3.329,455 1.456,456 2.678,457 1.45,458 3.903,459 2.361,460 1.369,461 1.752,463 3.242,464 1.358,465 2.618,466 1.411,467 3.766,468 2.345,469 1.347,470 1.65,472 3.187,473 1.343,474 23.3,475 0.485,476 0.846,477 0.018,478 60.75,479 1.266,480 30.5,481 0.635,482 30.25,483 0.63,484 50.579,485 1.054,486 50.8,487 0.529,488 50.219,489 1.046,490 11.402,491 0.238,492 12.268,493 0.256,494 0.034,496 0.296,501 1.199,502 1.169,503 0.936,504 0.986,505 1.184,506 0.947,507 1.137,508 1.181,509 1.003,510 1.057,511 0.73,512 1.026,513 1.154,514 1.031,515 0.915,516 0.913,517 0.895,518 0.898,519 1.141,520 0.891,521 0.986,522 0.901,523 0.842,524 0.926,525 1.021,526 1.045,527 1.058,528 1.061,529 0.802,530 1.063,531 0.948,532 1.136,533 1.111,534 1.163,535 0.917,536 1.153,537 0.958,538 1.138,539 1.063,540 1.125,541 1.076,542 1.107,543 1.09,544 0.929,545 1.023,546 0.961,547 1.229,548 0.982,549 5.5,550 0.161,551 4.222,552 3.125,553 3.164,554 1.5,555 1.168,556 0.583,557 0.393,558 0.215,559 55818,560 109389,561 2.187,562 50,563 6,564 27,567 7,568 2,570 6,572 1.835,573 2.118,574 3.974,575 3.435,582 124.767,583 1.3,584 3.408,585 4.565,586 5.503,587 5.897,588 6.106,589 3.186,590 5.085,591 5.566,592 4.334,593 4888.87,594 9.828,595 109977,600 632.156,601 1.099,602 5.546,603 0.102,604 0.004,605 0.057,606 0.038,607 0.039,608 0.018,609 0.015,610 0.009,611 0.008,612 0.005,613 0.295,615 0.63,616 0.307,617 294.302,618 -0.082,619 0.036,620 0.048,621 0.074,622 -0.093,623 0.072,624 -0.069,625 -0.059,626 -0.018,627 -0.026,628 0.067,629 -0.019,630 -0.032,631 0.013,632 0.083,633 0.077,634 0.028,635 0.087,636 0.048,637 0.161,638 0.017,639 0.08,640 0.02,641 0.052,642 -0.071,643 -0.006,644 -0.077,645 -0.044,646 -0.027,647 -0.058,648 -0.074,649 -0.137,650 -0.134,651 -0.15,652 -0.032,653 -0.148,654 -0.017,655 -0.181,656 -0.076,657 -0.142,658 0.005,659 -0.119,660 0.048,661 0.014,662 -0.016,663 -0.017,664 -0.028,665 -0.021,666 0.895,667 2.325,668 0.708,669 65.01,670 0.983,671 1.125,672 4.061,673 16.492,674 0.663,675 4.007,676 4.317,677 4.644,678 4.99,679 5.328,680 5.472,681 5.649,682 5.787,683 5.886,684 5.808,685 11.759,686 0.614,687 638.96,688 4.007,689 5.549,690 6.415,691 7.306,692 8.201,693 9.108,694 10.017,695 10.934,696 11.851,697 12.773,698 7.3,700 2,702 2,703 1,708 2,714 6,715 15,716 1,720 7,721 1,722 33,733 2,734 1,741 96,743 33,744 4,745 54,747 102,748 41,749 28,750 9,751 15,756 7,757 13,767 4,770 7,772 28,773 13,793 48,794 6,795 7,796 7,802 7,803 1,808 0.429,822 2,829 7,833 4,853 2,859 3,868 48,869 2,876 13,877 3,901 22.667,902 16.617,903 10.639,904 6.267,907 6.764,908 1.705,909 1.043,910 10.446,911 16.354,912 4.27,913 4.909,914 5.594,915 6.3,916 6.997,917 7.45,918 7.964,919 8.439,920 8.876,921 9.068,922 1,923 82,924 17.787,926 7.543,927 0.026,929 7.41,931 35.473,933 30.151,936 1.91,937 91.667,941 482.615,942 207.255,943 138.511,948 207.255,949 482.615,950 138.511,952 30.376,953 243.96,954 36.695,955 34.735,957 482.615,959 482.615,960 345.766,964 411.989,965 70.627,968 76.199,969 232.871,970 36.695,972 482.615,973 138.511,974 207.255,977 482.615,978 65.111,979 144.043,980 54.032,981 82.58,982 482.615,983 138.511,984 207.255,986 0.567,987 0.333,988 0.199,989 0.123,990 35,991 14,992 0.137,993 14,994 4,995 1.235,996 5.778,997 512.407,998 0.235,999 34,1000 262.078,1005 32.481,1006 15.437,1007 7.354,1008 7.085,1009 136.612,1010 31.683,1011 4.974,1015 7.967,1016 2.435,1017 119.827,1018 828.381,1019 70.5,1031 94.326,1032 108,1034 0.197,1035 0.518,1036 0.693,1037 0.836,1038 0.896,1039 0.927,1040 5.498,1041 2.172,1042 6.375,1043 6.315,1044 5.004,1045 5.598,1046 0.673,1047 7.21,1048 4.958,1049 6.699,1050 1.928,1051 7.933,1052 5.986,1053 4.443,1054 5.44,1056 8.176,1057 4.372,1058 8.013,1059 1.908,1060 9.605,1061 5.405,1062 6.592,1063 7.908,1064 0.143,1065 11.376,1066 6.504,1067 9.373,1068 1.745,1069 11.349,1070 3.905,1071 6.948,1072 8.671,1074 13.257,1075 6.836,1076 10.775,1077 1.538,1078 13.142,1079 3.664,1080 8.505,1081 10.579,1082 0.024,1083 15.972,1084 8.378,1085 12.207,1086 1.479,1087 14.969,1088 3.409,1089 9.312,1090 11.77,1092 18.214,1093 9.161,1094 13.664,1095 1.369,1096 16.821,1097 3.329,1098 10.632,1099 13.459,1100 0.004,1101 20.777,1102 10.464,1103 3.393,1104 1.347,1105 18.691,1106 3.242,1107 11.656,1108 14.854,1110 23.167,1111 11.462,1112 3.226,1113 12.515,1114 20.574,1115 3.187,1116 12.887,1117 16.46,1118 0.001,1119 25.684,1120 12.675,1121 2.744,1122 11.348,1123 22.468,1124 4.905,1125 14.009,1126 17.949,1128 28.138,1129 13.771,1130 2.624,1131 9.493,1132 24.37,1133 4.564,1134 15.213,1135 19.525,1137 30.643,1138 14.953,1139 2.532,1140 8.753,1141 26.28,1142 3.884,1143 16.379,1144 21.058,1146 33.126,1147 16.094,1148 2.209,1149 8.37,1150 28.195,1151 3.689,1152 17.576,1153 22.627,1155 35.631,1156 17.269,1157 2.182,1158 6.711,1159 30.116,1160 3.437,1161 18.762,1162 24.181,1164 38.129,1165 18.43,1166 50301,1167 70613,1168 37.561,1169 63.649,1170 79.65,1171 79.987,1172 81.62,1173 79.587,1174 79.577,1175 104.955,1176 2.4,1177 225.64,1178 77.718,1179 5.812,1180 5.417,1181 7.086,1182 5.414,1183 5.393,1184 7.905,1185 0.8,1186 20.515,1187 5.314,1188 14.342,1189 1.475,1190 1.481,1191 1.511,1192 1.474,1193 1.474,1194 1.944,1195 0.044,1196 4.179,1197 1.439,1198 4.23,1199 4.257,1200 4.2,1201 4.166,1202 5.168,1203 4.171,1204 4.107,1205 4.137,1206 4.069,1207 4.036,1208 5.086,1209 4.04,1210 3.859,1211 3.889,1212 3.791,1213 3.808,1214 4.971,1215 3.8,1216 3.772,1217 3.844,1218 3.694,1219 3.677,1220 4.824,1221 3.676,1222 3.747,1223 3.794,1224 3.623,1225 3.651,1226 4.666,1227 3.637,1228 3.731,1229 3.78,1230 3.604,1231 3.577,1232 4.418,1233 3.574,1234 3.648,1235 3.725,1236 3.5,1237 3.477,1238 4.377,1239 3.471,1240 3.523,1241 3.599,1242 3.378,1243 3.36,1244 4.278,1245 3.352,1246 0.09,1247 0.063,1248 0.132,1249 0.081,1250 0.063,1251 4.839,1252 0.091,1253 3.417,1254 0.007,1255 7.141,1256 0.232,1257 4.369,1258 0.061,1259 3.393,1260 4.905,1261 0.4,1262 12.515,1263 3.314,1264 2.176,1265 2.156,1266 2.228,1267 2.254,1268 1.447,1269 2.248,1270 2.072,1271 2.046,1272 2.158,1273 2.163,1274 1.435,1275 2.163,1276 1.869,1277 1.842,1278 1.99,1279 1.951,1280 1.271,1281 1.965,1282 1.754,1283 1.715,1284 1.976,1285 1.944,1286 1.203,1287 1.961,1288 1.751,1289 1.709,1290 1.949,1291 1.874,1292 1.145,1293 1.902,1294 1.726,1295 1.654,1296 1.899,1297 1.87,1298 1.108,1299 1.883,1300 1.639,1301 1.567,1302 1.854,1303 1.837,1304 1.063,1305 1.849,1306 1.524,1307 1.451,1308 1.793,1309 1.722,1310 0.926,1311 1.749,1312 4.691,1314 6.004,1316 7.532,1318 9.177,1320 10.892,1326 12.642,1328 13.777,1329 11.104,1340 58.949,1341 124.767,1342 327.212,1343 438.195,1344 528.282,1345 566.156,1346 586.156,1347 72.242,1348 9.59,1349 104.9,1350 104.9,1351 42,1352 13.282,1353 5.087,1354 4.129,1355 69.373,1356 354,1357 262,1358 0.092,1359 357.416,1360 604.66,1361 863.854,1362 336516,1364 32.71,1365 0.681,1366 0.582,1367 32.71,1368 27.955,1369 23.67,1370 0.438,1371 0.33,1372 17.687,1373 23.219,1374 17.346,1375 14.377,1376 23.67,1377 17.817,1378 20.56,1379 0.278,1380 0.178,1381 20.56,1382 13.203,1383 17.683,1384 0.172,1385 0.095,1386 17.683,1387 9.825,1388 15.616,1389 0.107,1390 0.052,1391 15.616,1392 7.521,1393 13.965,1394 0.068,1395 0.028,1396 13.965,1397 5.802,1398 0.154,1399 144.996,1400 0.163,1401 42.698,1402 0.229,1403 256,1404 517.601,1405 267.351,1406 529.047,1407 762.92,1408 502,1409 305,1410 592.268,1411 317.323,1412 610.004,1413 900.88,1414 581,1415 8.819}
{0 CHEMBL1794936,1 1.535,2 16.325,3 4.294,4 18.436,5 155.042,6 7.266,7 0.267,8 4.455,9 4.556,10 4.11,11 4.013,12 5.415,13 3.966,14 5.081,15 5.243,16 4.481,17 4.472,18 6.149,19 4.406,20 5.413,21 5.612,22 4.65,23 4.698,24 6.379,25 4.609,26 5.559,27 5.775,28 4.582,29 4.725,30 6.637,31 4.615,32 5.529,33 5.768,34 4.363,35 4.645,36 6.426,37 4.508,38 5.451,39 5.702,40 4.182,41 4.552,42 6.273,43 4.387,44 5.387,45 5.653,46 4.066,47 4.454,48 6.218,49 4.272,50 5.326,51 5.612,52 3.884,53 4.346,54 6.083,55 4.146,56 0.09,57 1.111,58 20.483,59 8.364,60 20.474,61 10.4,62 0.505,63 1.921,64 36.914,65 14.492,66 64.282,67 18.587,68 0.498,69 2.535,70 55.569,71 20.768,72 66.712,73 26.764,74 0.948,75 2.785,76 64.907,77 22.826,78 166.649,79 29.922,80 0.828,81 2.65,82 62.866,83 21.801,84 106.523,85 29.21,86 0.701,87 2.438,88 57.621,89 20.598,90 92.225,91 28.039,92 0.733,93 2.257,94 54.949,95 19.438,96 92.645,97 26.777,98 0.646,99 2.091,100 52.899,101 18.048,102 87.269,103 25.102,104 27,105 67,106 0.235,107 0.532,108 0.726,109 0.842,110 0.881,111 0.893,112 3.717,113 1.061,114 -4.33,115 -4.26,116 -4.02,121 39.7,123 8,125 1,126 1,127 4,129 2,137 2,144 6,145 3,146 3,160 1,176 16,179 4,180 10,185 2,187 17,191 1,192 18,197 1,200 14,205 2,206 19,209 1,211 1,214 10,218 1,219 13,224 2,227 14,231 1,232 6,237 1,239 13,244 6,247 2,249 2,251 14,256 5,264 14,268 1,269 5,274 1,277 14,281 3126,282 27.21,283 27.21,284 27.21,285 27.21,286 27.21,287 25.308,288 34.602,289 15.786,290 27.799,291 22.132,292 22.132,293 22.132,294 22.132,295 22.132,296 18.92,297 46.534,298 7.378,299 23.027,300 4.75,301 2.81,302 1.536,303 0.779,304 0.522,305 0.446,306 4.432,312 1,313 1462,314 4.528,317 162.075,318 296.192,319 95.609,321 437.271,322 139.433,323 155.45,324 172.392,325 2.226,326 54.285,329 0.75,330 0.5,331 0.67,332 0.9,333 1,334 0.83,335 1,336 0.81,337 87,338 653,339 5.037,340 4.782,341 8.075,342 4.713,343 3.728,344 4.855,345 1.058,346 15.709,347 3.671,348 4.868,349 4.066,350 7.829,351 4.589,352 3.654,353 4.353,354 0.916,355 14.434,356 3.402,357 4.091,358 3.508,359 6.48,360 3.776,361 2.809,362 3.499,363 0.86,364 9.866,365 2.716,366 3.954,367 3.099,368 6.101,369 3.491,370 2.561,371 3.403,372 0.86,373 8.438,374 2.464,375 3.701,376 2.955,377 5.907,378 3.473,379 2.471,380 2.949,381 0.765,382 7.938,383 2.377,384 3.517,385 2.752,386 5.824,387 3.242,388 2.293,389 2.761,390 0.68,391 7.371,392 2.169,393 3.369,394 2.432,395 5.368,396 3.172,397 2.212,398 2.43,399 0.172,400 6.75,401 2.105,402 3.289,403 2.43,404 5.172,405 3.074,406 2.116,407 2.352,409 6.194,410 2.019,411 2.947,412 2.283,413 4.851,414 2.837,415 1.841,416 2.029,418 5.063,419 1.83,420 2.894,421 1.925,422 4.677,423 2.653,424 1.733,425 1.966,427 4.431,428 1.585,429 2.802,430 1.788,431 4.025,432 2.522,433 1.532,434 1.831,436 3.769,437 1.514,438 2.781,439 1.743,440 3.865,441 2.453,442 1.481,443 1.81,445 3.291,446 1.432,447 2.599,448 1.421,449 3.804,450 2.317,451 1.33,452 1.606,454 2.886,455 1.309,456 2.48,457 1.321,458 3.777,459 2.067,460 1.073,461 1.451,463 2.683,464 1.065,465 2.155,466 1.165,467 3.688,468 1.95,469 0.946,470 1.054,472 2.12,473 0.946,474 19.133,475 0.478,476 1.083,477 0.027,478 44.25,479 1.106,480 18.5,481 0.463,482 25.75,483 0.644,484 46.619,485 1.165,486 45.067,487 0.578,488 35.935,489 0.898,490 7.731,491 0.193,492 11.616,493 0.29,494 0.096,495 0.07,496 0.277,501 0.663,502 1.361,503 0.84,504 1.252,505 0.658,506 1.037,507 0.825,508 1.039,509 0.861,510 0.945,511 0.582,512 0.951,513 0.822,514 1.093,515 0.905,516 1.066,517 0.727,518 0.968,519 0.986,520 1.087,521 1.019,522 1.054,523 0.886,524 1.045,525 1.074,526 0.992,527 1.033,528 0.979,529 0.945,530 1.044,531 0.907,532 1.018,533 1.006,534 1.016,535 0.813,536 1.106,537 0.765,538 0.99,539 0.949,540 0.991,541 0.712,542 1.067,543 0.826,544 0.88,545 0.936,546 0.896,547 0.752,548 0.979,549 8.5,550 0.171,551 6,552 5.222,553 2.737,554 1.511,555 0.794,556 0.572,557 0.291,558 0.211,559 31841,560 80692,561 2.123,562 48.7,563 8,564 21,567 1,569 6,570 2,572 1.791,573 1.983,574 3.855,575 -0.392,582 119.75,583 1.535,584 3.476,585 4.75,586 5.506,587 5.763,588 5.84,589 3.233,590 5.022,591 5.301,592 4.15,593 3237.13,594 9.294,595 60441.3,600 490.261,601 1.578,602 5.244,603 0.189,604 0.006,605 0.09,606 0.067,607 0.039,608 0.027,609 0.017,610 0.014,611 0.009,612 0.007,613 0.463,614 0.17,615 0.75,616 0.641,617 230.781,618 0.045,619 -0.137,620 0.182,621 -0.052,622 -0.081,623 0.03,624 0.084,625 0.098,626 0.072,627 0.084,628 0.134,629 0.047,630 0.039,631 -0.04,632 0.086,633 -0.02,634 0.037,635 0.045,636 0.032,637 -0.084,638 -0.051,639 -0.074,640 0.124,641 -0.063,642 -0.109,643 -0.018,644 -0.11,645 -0.042,646 -0.066,647 -0.068,648 -0.068,649 -0.063,650 -0.115,651 -0.085,652 -0.065,653 -0.117,654 0.025,655 -0.055,656 -0.049,657 -0.062,658 0.001,659 -0.074,660 -0.054,661 0.038,662 -0.019,663 0.02,664 -0.036,665 0.009,666 4.621,667 5.691,668 0.65,669 48.458,670 1.002,671 1.124,672 3.098,673 9.597,674 0.655,675 3.829,676 4.22,677 4.585,678 4.934,679 5.22,680 5.384,681 5.545,682 5.69,683 5.727,684 5.771,685 9.907,686 0.615,687 566.78,688 3.829,689 5.416,690 6.315,691 7.248,692 8.175,693 9.12,694 10.06,695 11.012,696 11.959,697 12.913,698 2.6,701 1,705 1,715 6,720 6,722 12,739 2,741 78,743 16,744 2,745 45,747 83,748 31,749 12,750 6,751 6,752 1,756 6,757 15,764 1,766 1,767 4,770 10,772 15,773 16,777 4,780 1,782 3,784 2,786 1,793 38,794 8,795 1,796 9,797 1,802 2,808 0.333,809 6,811 1,828 2,829 3,830 1,832 3,833 1,834 1,835 1,849 2,855 1,857 1,859 2,862 1,864 1,868 40,872 1,875 1,876 12,878 2,880 2,881 2,882 1,893 7.7,894 1,896 3,898 2,901 20.167,902 13.933,903 8.667,904 5.119,907 2.718,908 1.293,909 0.966,910 7.728,911 12.003,912 4.025,913 4.605,914 5.168,915 5.729,916 6.227,917 6.467,918 6.787,919 7.035,920 7.203,921 7.275,922 1,923 78,924 15.272,926 7.097,927 0.026,929 7.763,931 29.28,933 26.023,936 2.263,937 90.5,941 435.531,942 147.499,943 4.643,945 134.141,947 5.807,948 141.691,949 569.672,950 4.643,951 10.883,952 30.218,953 124.301,954 74.163,955 46.718,957 435.531,959 435.531,960 146.334,961 134.141,962 5.807,964 341.362,965 185.626,966 42.683,968 33.342,969 94.04,970 24.76,972 435.531,973 138.784,974 147.499,976 5.807,977 435.531,978 54.998,979 91.336,981 134.141,982 435.531,983 138.784,984 147.499,986 0.59,987 0.363,988 0.208,989 0.12,990 35,991 15,992 0.12,993 10,994 5,995 1.346,996 4.969,997 413.117,998 0.385,999 25,1000 210.877,1004 1,1005 27.777,1006 11.129,1007 4.907,1009 138.784,1010 10.625,1015 4.544,1017 42.683,1018 721.813,1019 55,1022 -3.704,1024 37.931,1026 4.117,1028 -0.403,1031 78.149,1032 87.647,1034 0.244,1035 0.553,1036 0.756,1037 0.876,1038 0.917,1039 0.929,1040 5.333,1041 2.116,1042 6.358,1043 6.75,1044 4.905,1045 5.293,1046 2.282,1047 7.322,1048 4.828,1049 6.555,1050 1.841,1051 8.017,1052 6.194,1053 4.745,1054 5.366,1055 0.325,1056 8.786,1057 4.612,1058 7.917,1059 1.733,1060 9.804,1061 5.063,1062 6.683,1063 7.54,1064 2.05,1065 11.959,1066 6.529,1067 9.328,1068 1.532,1069 11.674,1070 4.431,1071 7.403,1072 8.495,1073 0.393,1074 14.298,1075 7.195,1076 10.786,1077 1.481,1078 13.599,1079 3.769,1080 8.872,1081 10.225,1082 1.906,1083 17.122,1084 8.641,1085 12.278,1086 1.33,1087 15.563,1088 3.291,1089 9.959,1090 11.539,1091 0.384,1092 19.736,1093 9.684,1094 13.795,1095 1.073,1096 17.555,1097 2.886,1098 11.295,1099 13.14,1100 1.827,1101 22.484,1102 10.993,1103 3.728,1104 0.946,1105 19.567,1106 2.683,1107 12.522,1108 14.596,1109 0.351,1110 25.179,1111 12.183,1112 3.654,1113 15.709,1114 21.595,1115 2.12,1116 13.827,1117 16.162,1118 1.797,1119 27.912,1120 13.46,1121 2.809,1122 14.434,1123 23.635,1124 4.855,1125 15.103,1126 17.676,1127 0.312,1128 30.632,1129 14.704,1130 2.561,1131 9.866,1132 25.683,1133 4.353,1134 16.405,1135 19.235,1136 1.802,1137 33.364,1138 15.978,1139 2.471,1140 8.438,1141 27.738,1142 3.499,1143 17.699,1144 20.775,1145 0.273,1146 36.094,1147 17.244,1148 2.293,1149 7.938,1150 29.798,1151 3.403,1152 19.002,1153 22.335,1154 1.834,1155 38.828,1156 18.521,1157 2.212,1158 7.371,1159 31.863,1160 2.949,1161 20.304,1162 23.888,1163 0.236,1164 41.562,1165 19.796,1166 29075,1167 46560,1168 30.107,1169 51.091,1170 68.772,1171 70.592,1172 71.784,1173 68.304,1174 68.207,1175 82.03,1176 10.624,1177 212.461,1178 65.598,1179 6.03,1180 6.782,1181 7.963,1182 5.8,1183 5.728,1184 7.855,1185 2.117,1186 24.189,1187 5.671,1188 20.107,1189 1.528,1190 1.569,1191 1.595,1192 1.518,1193 1.516,1194 1.823,1195 0.236,1196 4.721,1197 1.458,1198 4.162,1199 4.154,1200 4.764,1201 4.133,1202 7.717,1203 4.064,1204 4.097,1205 4.103,1206 4.058,1207 4.02,1208 7.426,1209 4.016,1210 3.785,1211 3.847,1212 3.685,1213 3.661,1214 6.999,1215 3.645,1216 3.726,1217 3.761,1218 3.645,1219 3.632,1220 6.451,1221 3.628,1222 3.648,1223 3.705,1224 3.627,1225 3.53,1226 4.94,1227 3.497,1228 3.571,1229 3.599,1230 3.494,1231 3.442,1232 4.674,1233 3.41,1234 3.437,1235 3.48,1236 3.315,1237 3.288,1238 4.538,1239 3.266,1240 3.263,1241 3.318,1242 3.169,1243 3.094,1244 4.31,1245 3.087,1246 0.112,1247 0.106,1248 0.179,1249 0.105,1250 0.083,1251 5.037,1252 0.108,1253 4.782,1254 0.024,1255 8.075,1256 0.349,1257 4.713,1258 0.082,1259 3.728,1260 4.855,1261 1.058,1262 15.709,1263 3.671,1264 1.944,1265 1.928,1266 2.053,1267 2.02,1268 1.429,1269 2.03,1270 1.921,1271 1.926,1272 2.049,1273 1.998,1274 1.411,1275 2.022,1276 1.834,1277 1.793,1278 1.974,1279 1.973,1280 1.264,1281 2.002,1282 1.789,1283 1.742,1284 1.958,1285 1.943,1286 1.161,1287 1.954,1288 1.669,1289 1.636,1290 1.87,1291 1.857,1292 1.131,1293 1.868,1294 1.546,1295 1.513,1296 1.748,1297 1.75,1298 1.061,1299 1.766,1300 1.413,1301 1.37,1302 1.598,1303 1.598,1304 0.913,1305 1.636,1306 1.272,1307 1.222,1308 1.573,1309 1.54,1310 0.699,1311 1.554,1312 4.511,1314 5.883,1315 3.045,1316 7.462,1317 5.733,1318 9.147,1319 8.084,1320 10.894,1322 1.677,1327 10.276,1328 10.583,1330 12.042,1332 -0.548,1333 3.571,1334 -0.21,1340 48.001,1341 119.75,1342 271.115,1343 370.487,1344 429.506,1345 449.506,1346 455.506,1347 98.068,1348 9.285,1349 96.38,1350 104.76,1351 35,1352 13.401,1353 4.087,1354 3.459,1355 58.047,1356 247,1357 192,1358 0.113,1359 289.05,1360 521.03,1361 697.043,1362 197475,1364 27.907,1365 0.698,1366 0.597,1367 28.157,1368 23.866,1369 19.347,1370 0.43,1371 0.354,1372 14.418,1373 17.895,1374 14.02,1375 11.502,1376 20.136,1377 15.919,1378 17.922,1379 0.267,1380 0.198,1381 19.203,1382 13.297,1383 15.903,1384 0.164,1385 0.112,1386 17.241,1387 10.873,1388 14.006,1389 0.101,1390 0.062,1391 15.412,1392 8.543,1393 11.849,1394 0.064,1395 0.035,1396 12.959,1397 6.437,1398 0.186,1399 129.185,1400 0.182,1401 36.652,1402 0.285,1403 224,1404 614.978,1405 284.428,1406 599.686,1407 820.3,1408 558,1409 276,1410 574.669,1411 349.803,1412 615.022,1413 923.4,1414 579,1415 7.301}
{0 CHEMBL180483,1 1.427,2 11.778,3 3.888,4 15.117,5 104.562,6 7.067,7 0.4,8 4.049,9 4.151,10 3.582,11 3.572,12 5.076,13 3.551,14 4.633,15 4.801,16 3.931,17 3.97,18 5.589,19 3.936,20 4.841,21 5.024,22 3.979,23 4.079,24 5.871,25 4.009,26 4.859,27 5.078,28 3.872,29 4.043,30 5.806,31 3.951,32 4.839,33 5.052,34 3.848,35 4.006,36 5.83,37 3.92,38 4.772,39 4.981,40 3.711,41 3.971,42 5.8,43 3.843,44 4.702,45 4.966,46 3.458,47 3.781,48 5.578,49 3.631,50 4.451,51 4.692,52 3.341,53 3.468,54 5.369,55 3.393,56 0.001,57 0.693,58 11.434,59 5.281,60 7.441,61 6.699,62 0.232,63 1.161,64 22.757,65 8.547,66 22.623,67 11.115,68 0.442,69 1.363,70 28.632,71 10.779,72 43.846,73 14.206,74 0.25,75 1.363,76 29.584,77 11.188,78 40.189,79 15.075,80 0.43,81 1.304,82 29.458,83 10.776,84 48.967,85 14.3,86 0.596,87 1.236,88 27.238,89 10.59,90 54.748,91 14.282,92 0.217,93 1.123,94 26.007,95 9.743,96 40.828,97 13.615,98 0.348,99 0.829,100 20.999,101 6.665,102 36.906,103 8.865,104 14,105 42,106 0.24,107 0.54,108 0.747,109 0.791,110 0.797,111 0.804,112 3.34,113 0.945,114 -3.8,115 -3.76,116 -3.57,121 42.3,123 3,126 2,127 3,129 1,144 6,145 3,146 3,159 1,176 9,180 9,187 8,191 2,192 13,200 4,206 9,214 4,218 1,219 3,227 10,231 4,232 2,239 13,244 1,251 6,256 7,264 2,268 1,269 6,281 1119,282 18.635,283 18.635,284 18.635,285 18.635,286 18.635,287 17.12,288 26.933,289 10.879,290 19.176,291 14.698,292 14.698,293 14.698,294 14.698,295 14.698,296 12.176,297 32.032,298 5.036,299 15.385,300 4.273,301 2.485,302 1.25,303 0.991,304 0.952,305 0.914,306 4.037,310 1,311 1,312 1,313 694,314 2.915,317 144.675,318 164.776,321 116.531,325 1.934,326 25.052,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 58.5,338 318,339 4.529,340 3.848,341 6.724,342 4.216,343 3.222,344 4.173,345 1.571,346 10.926,347 3.203,348 4.083,349 3.192,350 6.107,351 3.722,352 2.773,353 3.649,354 0.916,355 8.884,356 2.646,357 3.986,358 3.034,359 5.644,360 3.652,361 2.696,362 3.378,363 0.86,364 7.822,365 2.56,366 3.628,367 2.85,368 5.525,369 3.406,370 2.467,371 2.842,372 0.86,373 7.286,374 2.308,375 3.347,376 2.557,377 5.239,378 3.083,379 2.127,380 2.506,381 0.699,382 6.328,383 2.021,384 3.259,385 2.405,386 4.982,387 2.904,388 1.909,389 2.395,390 0.172,391 5.783,392 1.893,393 3.039,394 2.197,395 4.847,396 2.726,397 1.766,398 2.17,400 5.341,401 1.69,402 2.547,403 1.975,404 4.248,405 2.271,406 1.34,407 1.506,409 3.521,410 1.228,411 2.5,412 1.324,413 3.438,414 2.137,415 1.165,416 1.5,418 2.57,419 1.129,420 2.199,421 1.253,422 3.414,423 2,424 1,425 1.192,427 2.275,428 1,429 1.917,430 1.015,431 3.264,432 1.591,433 0.618,434 0.732,436 1.372,437 0.6,438 1.618,439 1,440 3,441 1.534,442 0.588,443 0.618,445 1.241,446 0.545,447 1.492,448 0.744,449 2.946,450 1.235,451 0.375,452 0.407,454 0.593,455 0.318,456 1.391,457 0.602,458 2.763,459 1.143,460 0.214,461 0.242,463 0.439,464 0.198,465 1.095,466 0.473,467 2.613,468 0.794,469 -0.169,470 -0.197,472 -0.391,473 -0.16,474 12.733,475 0.472,476 0.585,477 0.022,478 32.5,479 1.204,480 15,481 0.556,482 17.5,483 0.648,484 22.902,485 0.848,486 29.867,487 0.574,488 23.799,489 0.881,490 6.431,491 0.238,492 6.743,493 0.25,494 0.105,496 0.346,501 0.784,502 1.333,503 0.801,504 1.203,505 0.593,506 1.035,507 1.235,508 0.955,509 0.937,510 0.888,511 0.762,512 0.854,513 1.018,514 1.11,515 1.034,516 1.109,517 0.92,518 1.076,519 0.982,520 1.062,521 0.945,522 1.057,523 1.104,524 1.004,525 1.141,526 0.941,527 0.991,528 0.958,529 1.035,530 0.951,531 0.703,532 1.026,533 1.075,534 1.103,535 1.039,536 1.152,537 0.757,538 1.018,539 0.898,540 1.042,541 1.271,542 1.006,543 1.628,544 0.772,545 0.99,546 0.721,547 1.419,548 0.744,549 5.5,550 0.167,551 2.667,552 2.111,553 1.462,554 1.039,555 0.569,556 0.264,557 0.24,558 0.107,559 9742,560 22283,561 2.12,562 48.1,564 19,569 6,572 1.696,573 2,574 3.519,575 -0.806,577 1,582 74.219,583 1.427,584 3.215,585 4.45,586 4.71,587 4.748,588 4.787,589 2.967,590 4.385,591 4.723,592 3.707,593 1301.21,594 8.175,595 17044.2,597 1,599 1,600 296.423,601 1.352,602 4.694,603 0.183,604 0.008,605 0.063,606 0.051,607 0.04,608 0.029,609 0.019,610 0.011,611 0.011,612 0.005,613 0.422,614 0.5,615 1,616 0.806,617 135.486,618 -0.001,619 -0.17,620 0.079,621 -0.095,622 0.007,623 -0.011,624 -0.146,625 0.142,626 0.03,627 0.12,628 -0.028,629 0.113,630 0.076,631 -0.078,632 -0.06,633 -0.106,634 0.11,635 -0.103,636 -0.043,637 -0.075,638 0.024,639 -0.062,640 -0.026,641 -0.015,642 -0.023,643 0.033,644 0.004,645 0.028,646 0.028,647 0.023,648 0.239,649 -0.049,650 -0.115,651 -0.093,652 0.11,653 -0.156,654 0.021,655 -0.093,656 0.07,657 -0.064,658 -0.025,660 -0.197,661 0.15,662 0.076,663 0.202,664 -0.144,665 0.188,666 1.832,667 5.738,668 0.741,669 28.337,670 1,671 1.122,672 2.57,673 6.607,674 0.653,675 3.434,676 3.761,677 4.06,678 4.331,679 4.522,680 4.625,681 4.787,682 4.89,683 4.898,684 4.956,685 6.987,686 0.619,687 367.48,688 3.434,689 4.977,690 5.838,691 6.72,692 7.598,693 8.487,694 9.373,695 10.265,696 11.155,697 12.051,698 1.9,701 1,715 6,720 6,722 12,727 1,739 3,741 52,743 13,744 2,745 30,747 55,748 22,749 12,750 6,751 6,752 1,756 4,757 5,767 4,770 4,772 13,773 9,777 1,782 1,786 1,790 1,793 25,794 5,796 5,802 1,808 0.75,809 4,825 1,828 2,829 2,832 1,855 1,859 3,864 2,868 27,876 6,878 3,880 1,881 1,893 7.7,896 1,898 3,901 13.5,902 9.95,903 6.028,904 3.182,907 2.344,908 1.307,909 0.975,910 5.371,911 9.972,912 3.638,913 4.19,914 4.741,915 5.256,916 5.772,917 5.974,918 6.256,919 6.498,920 6.683,921 6.952,922 0.875,923 41,924 10.047,926 4.293,927 0.026,929 7.63,931 19.533,933 16.31,936 2.13,937 57.5,939 1,940 1,941 294.278,942 122.965,943 3.124,945 58.145,948 122.965,949 352.422,950 3.124,951 21.766,952 13.921,953 56.857,954 30.278,955 61.411,957 294.278,959 294.278,960 126.089,961 58.145,964 223.651,965 128.771,968 17.045,969 109.044,972 294.278,973 61.269,974 122.965,977 294.278,978 44.341,979 81.748,981 58.145,982 294.278,983 61.269,984 122.965,986 0.577,987 0.351,988 0.192,989 0.099,990 21,991 9,992 0.109,993 6,994 1,995 1.1,996 3.978,997 230.079,998 0.1,999 20,1000 120.382,1005 18.33,1006 7.911,1007 3.826,1009 61.269,1010 11.72,1015 4.8,1018 478.511,1019 37,1024 12.738,1028 -0.007,1031 52.014,1032 58.318,1034 0.25,1035 0.564,1036 0.781,1037 0.826,1038 0.833,1039 0.84,1040 4.89,1041 1.34,1042 5.82,1043 5.341,1044 4.443,1045 4.875,1046 2.431,1047 6.635,1048 4.366,1049 6.07,1050 1.165,1051 7.38,1052 3.521,1053 4.007,1054 4.663,1055 0.325,1056 7.513,1057 3.907,1058 7.369,1059 1,1060 9.035,1061 2.57,1062 6.043,1063 6.995,1064 2.821,1065 10.613,1066 5.908,1067 8.704,1068 0.618,1069 10.747,1070 2.275,1071 6.447,1072 7.6,1073 0.393,1074 12.319,1075 6.299,1076 10.072,1077 0.588,1078 12.495,1079 1.372,1080 7.921,1081 9.419,1082 3.514,1083 14.933,1084 7.752,1085 11.461,1086 0.375,1087 14.268,1088 1.241,1089 8.712,1090 10.398,1091 0.384,1092 17.007,1093 8.539,1094 12.869,1095 0.214,1096 16.06,1097 0.593,1098 9.971,1099 12.007,1100 4.343,1101 19.46,1102 9.786,1103 3.222,1104 -0.169,1105 17.868,1106 0.439,1107 10.947,1108 13.18,1109 0.351,1110 21.703,1111 10.765,1112 2.773,1113 10.926,1114 19.688,1115 -0.391,1116 12.124,1117 14.691,1118 5.221,1119 24.103,1120 11.938,1121 2.696,1122 8.884,1123 21.519,1124 4.173,1125 13.189,1126 15.97,1127 0.312,1128 26.423,1129 13.007,1130 2.467,1131 7.822,1132 23.359,1133 3.649,1134 14.34,1135 17.432,1136 6.116,1137 28.808,1138 14.158,1139 2.127,1140 7.286,1141 25.207,1142 3.378,1143 15.449,1144 18.771,1145 0.273,1146 31.163,1147 15.272,1148 1.909,1149 6.328,1150 27.063,1151 2.842,1152 16.595,1153 20.21,1154 7.016,1155 33.546,1156 16.42,1157 1.766,1158 5.783,1159 28.924,1160 2.506,1161 17.726,1162 21.583,1163 0.236,1164 35.918,1165 17.555,1166 9195,1167 14085,1168 20.285,1169 33.961,1170 44.533,1171 46.138,1172 45.955,1173 44.455,1174 44.521,1175 54.622,1176 10.158,1177 128.761,1178 42.679,1179 5.46,1180 5.848,1181 6.338,1182 5.302,1183 5.222,1184 7.173,1185 3.141,1186 18.021,1187 5.203,1188 11.752,1189 1.484,1190 1.538,1191 1.532,1192 1.482,1193 1.484,1194 1.821,1195 0.339,1196 4.292,1197 1.423,1198 4.05,1199 4.064,1200 4.007,1201 3.965,1202 7.427,1203 3.972,1204 3.932,1205 3.971,1206 3.862,1207 3.85,1208 4.926,1209 3.849,1210 3.779,1211 3.83,1212 3.659,1213 3.637,1214 4.826,1215 3.632,1216 3.532,1217 3.546,1218 3.461,1219 3.342,1220 4.495,1221 3.366,1222 3.25,1223 3.315,1224 3.063,1225 2.999,1226 4.404,1227 2.999,1228 3.178,1229 3.24,1230 3.039,1231 2.963,1232 4.29,1233 2.973,1234 3.068,1235 3.151,1236 2.874,1237 2.845,1238 4.13,1239 2.834,1240 2.952,1241 2.996,1242 2.794,1243 2.777,1244 3.674,1245 2.77,1246 0.151,1247 0.128,1248 0.224,1249 0.141,1250 0.107,1251 4.529,1252 0.139,1253 3.848,1254 0.052,1255 6.724,1256 0.364,1257 4.216,1258 0.107,1259 3.222,1260 4.173,1261 1.571,1262 10.926,1263 3.203,1264 1.909,1265 1.885,1266 2.024,1267 2.012,1268 1.211,1269 2.017,1270 1.88,1271 1.872,1272 1.956,1273 1.978,1274 1.202,1275 1.968,1276 1.577,1277 1.507,1278 1.86,1279 1.753,1280 1.164,1281 1.793,1282 1.528,1283 1.494,1284 1.725,1285 1.751,1286 0.978,1287 1.745,1288 1.445,1289 1.377,1290 1.664,1291 1.649,1292 0.923,1293 1.655,1294 1.232,1295 1.184,1296 1.574,1297 1.521,1298 0.581,1299 1.537,1300 1.185,1301 1.107,1302 1.559,1303 1.519,1304 0.574,1305 1.53,1306 0.981,1307 0.92,1308 1.293,1309 1.183,1310 0.531,1311 1.222,1312 4.111,1314 5.434,1315 3.045,1316 6.946,1317 5.352,1318 8.545,1319 7.402,1320 10.193,1322 3.167,1328 6.472,1330 16.643,1332 -0.499,1333 2.466,1340 32.202,1341 74.219,1342 167.183,1343 231.403,1344 244.913,1345 246.913,1346 248.913,1347 45.117,1348 7.628,1349 48,1350 48,1351 22,1352 12.577,1353 3.807,1354 3,1355 40.478,1356 113,1357 107,1358 0.175,1359 194.516,1360 345.6,1361 466.379,1362 21769,1364 18.803,1365 0.696,1366 0.588,1367 18.803,1368 15.864,1369 13.173,1370 0.439,1371 0.315,1372 9.288,1373 12.58,1374 9.031,1375 7.464,1376 13.173,1377 9.447,1378 11.596,1379 0.276,1380 0.171,1381 11.596,1382 7.166,1383 10.27,1384 0.18,1385 0.094,1386 10.27,1387 5.379,1388 8.518,1389 0.114,1390 0.052,1391 8.518,1392 3.917,1393 6.618,1394 0.073,1395 0.027,1396 6.618,1397 2.431,1398 0.28,1399 83.277,1400 0.222,1401 26.274,1402 0.465,1403 144,1404 420.587,1405 158.15,1406 391.156,1407 534.28,1408 370,1409 171,1410 385.204,1411 186.51,1412 389.502,1413 572.32,1414 364,1415 7.301}
{0 CHEMBL1812847,1 1.563,2 8.556,3 1.881,4 3.538,5 67.432,6 8.009,7 0.632,8 3.493,9 3.605,10 3.108,11 3.077,12 4.737,13 3.068,14 3.918,15 4.048,16 3.394,17 3.38,18 5.214,19 3.346,20 4.173,21 4.37,22 3.382,23 3.399,24 5.554,25 3.34,26 4.065,27 4.289,28 3.181,29 3.202,30 5.3,31 3.156,32 3.907,33 4.085,34 3.221,35 3.053,36 5.387,37 3.077,38 3.81,39 3.958,40 3.082,41 2.926,42 5.352,43 2.965,44 3.659,45 3.848,46 2.768,47 2.864,48 4.958,49 2.821,50 3.479,51 3.683,52 2.536,53 2.875,54 4.492,55 2.756,56 0.039,57 0.417,58 5.075,59 2.469,60 5.162,61 2.972,62 0.126,63 0.62,64 8.319,65 3.938,66 12.229,67 4.953,68 0.368,69 0.76,70 13.502,71 4.957,72 56.183,73 6.459,74 0.193,75 0.658,76 12.976,77 4.434,78 29.762,79 5.726,80 0.184,81 0.531,82 10.735,83 3.686,84 33.475,85 4.238,86 0.251,87 0.482,88 9.548,89 2.913,90 45.665,91 2.817,92 0.203,93 0.425,94 8.455,95 2.817,96 36.315,97 3.213,98 0.091,99 0.366,100 6.544,101 2.87,102 15.581,103 3.736,104 5,105 24,106 0.296,107 0.446,108 0.508,109 0.604,110 0.638,111 0.638,112 2.959,113 0.865,114 -3.29,115 -3.28,116 -3.14,121 46.7,144 10,146 2,160 2,176 8,183 2,185 4,187 8,191 1,195 2,196 1,197 4,200 4,206 4,211 2,219 8,224 4,232 6,237 4,244 2,249 2,251 4,264 8,277 8,281 376,282 12.19,283 12.19,284 12.19,285 12.19,286 12.19,287 10.441,288 14.267,289 7.609,290 12.255,291 9.401,292 9.401,293 9.401,294 9.401,295 9.401,296 6.847,297 20.621,298 3.672,299 9.483,300 3.344,301 2.548,302 2.224,303 1.717,304 1.533,305 1.533,306 3.617,311 1,312 1,313 322,314 3,318 130.715,325 1.383,326 18.418,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 39,338 154,339 4.139,340 3.835,341 5.964,342 3.82,343 2.821,344 3.568,345 1.058,346 8.392,347 2.807,348 3.9,349 2.962,350 5.386,351 3.49,352 2.517,353 3.449,354 1.058,355 7.116,356 2.449,357 3.735,358 2.539,359 5.19,360 3.294,361 2.286,362 3.167,364 6.351,365 2.294,366 2.98,367 2.477,368 3.922,369 2.541,370 1.552,371 2.141,373 3.426,374 1.529,375 2.866,376 1.519,377 3.585,378 2.407,379 1.414,380 2.018,382 3.018,383 1.402,384 2.589,385 1.519,386 3.424,387 2.042,388 1,389 1.5,391 2.401,392 1.027,393 2.5,394 1,395 3.247,396 2,397 1,398 1.5,400 2.136,401 1,402 2.5,403 1,404 3.247,405 2,406 1,407 1.435,409 2.136,410 1,411 1.18,412 0.532,413 2.677,414 0.819,415 -0.159,416 -0.197,418 -0.394,419 -0.155,420 1.175,421 0.417,422 2.13,423 0.745,424 -0.287,425 -0.405,427 -0.649,428 -0.294,429 0.517,430 -0.39,431 1.555,432 0.027,433 -1,434 -1.384,436 -2.249,437 -1,438 0.5,439 -0.687,440 1.555,441 0.014,442 -1,443 -1.456,445 -2.26,446 -1,447 0.5,448 -1,449 1.511,451 -1,452 -1.5,454 -2.347,455 -1.007,456 0.462,457 -1,458 1.252,460 -1,461 -1.5,463 -2.347,464 -1.017,465 -0.047,466 -1.129,467 1.189,468 -0.354,469 -1.414,470 -2,472 -3.894,473 -1.516,474 8.467,475 0.47,476 0.332,477 0.018,478 27,479 1.5,480 16,481 0.889,482 11,483 0.611,484 8.629,485 0.479,486 18.533,487 0.618,488 17.654,489 0.981,490 5.726,491 0.318,492 3.028,493 0.168,494 0.079,496 0.236,501 0.687,502 1.108,503 0.738,504 0.915,505 0.556,506 0.837,507 0.503,508 1.35,509 0.886,510 1.237,511 0.576,512 1.159,513 0.731,514 1.01,515 1,516 1.024,517 0.755,518 1.054,519 1.185,520 0.999,521 0.961,522 0.953,523 1.072,524 0.907,525 1.755,526 1.046,527 0.882,528 0.927,529 1.791,530 0.777,531 2.577,532 1.045,533 1.36,534 0.897,535 2.63,536 0.9,537 1.833,538 0.784,539 1.303,540 0.768,541 1.814,542 0.903,543 0.657,544 0.761,545 1.111,546 0.954,547 0.639,548 1.091,549 3,550 0.016,551 1.333,552 0.75,553 0.862,554 0.347,555 0.245,556 0.142,557 0.009,558 0.023,559 2927,560 8651,561 2.026,562 40,564 10,567 2,572 1.583,573 1.929,574 3.126,575 0.374,577 1,578 1,579 1,582 46.884,583 1.563,584 2.359,585 2.683,586 3.19,587 3.374,588 3.374,589 2.503,590 2.725,591 4.144,592 3.226,593 493.515,594 7.014,595 4790.62,597 1,599 1,600 147.207,601 1.224,602 4.116,603 0.158,604 0.004,605 0.056,606 0.034,607 0.048,608 0.018,609 0.015,610 0.012,611 0.001,612 0.003,613 0.349,614 0.83,615 1,616 0.584,617 77.604,618 -0.078,619 -0.003,620 0.004,621 0.036,622 -0.076,623 0.04,624 0.201,625 -0.299,626 -0.089,627 -0.287,628 0.04,629 -0.263,630 0.284,631 0.003,632 -0.033,633 -0.09,634 0.192,635 -0.12,636 -0.107,637 -0.024,638 0.072,639 -0.012,640 -0.027,641 0.06,642 -0.185,643 -0.106,644 0.168,645 0.013,646 -0.069,647 0.135,648 -0.542,649 -0.047,650 -0.307,651 -0.013,652 -0.41,653 -0.094,654 -0.42,655 0.199,656 -0.286,657 0.168,658 -0.33,659 0.006,660 -0.11,661 0.176,662 -0.215,663 0.067,664 -0.102,665 -0.063,666 2.356,667 4.594,668 0.667,669 11.901,670 1.009,671 1.116,672 2.061,673 4.246,674 0.691,675 2.996,676 3.219,677 3.367,678 3.497,679 3.638,680 3.367,681 3.367,682 3.367,683 3.219,684 3.045,685 5.144,686 0.67,687 240.28,688 2.996,689 4.466,690 5.252,691 6.066,692 6.868,693 7.685,694 8.492,695 9.31,696 10.119,697 10.937,698 6.7,705 2,715 10,720 2,722 12,741 30,743 14,744 2,745 19,747 31,748 14,749 12,750 2,751 10,752 2,756 2,757 2,772 14,777 2,782 2,786 2,790 1,793 12,794 4,795 2,796 4,802 2,808 1,809 2,829 2,843 2,859 2,868 18,877 2,893 6.7,896 2,901 9.333,902 5.167,903 4.111,904 1.618,907 2.005,908 1.343,909 0.973,910 3.971,911 7.854,912 3.332,913 3.829,914 4.27,915 4.684,916 5.147,917 4.829,918 5.015,919 5.265,920 5.154,921 5.03,922 0.833,923 22,924 6.623,926 2.74,927 0.026,929 8.037,931 12.19,933 9.336,936 2.537,937 45.667,938 0.001,941 117.711,942 109.685,943 36.022,945 50.29,948 109.685,949 168.001,950 36.022,952 36.022,953 94.762,954 59.699,955 5.513,957 117.711,959 117.711,960 145.707,961 50.29,964 117.711,965 50.29,968 36.022,969 109.685,972 117.711,973 86.311,974 109.685,977 117.711,978 14.923,979 94.762,980 36.022,981 50.29,982 117.711,983 86.311,984 109.685,986 0.559,987 0.311,988 0.158,989 0.086,990 10,991 4,992 0.097,993 3,995 1,996 3.15,997 115.997,999 12,1000 49.059,1005 12.179,1006 5.869,1007 3.617,1009 86.311,1010 17.66,1015 1.177,1017 36.022,1018 313.708,1019 27,1024 23.187,1028 -1.38,1031 30.276,1032 33.491,1034 0.318,1035 0.481,1036 0.547,1037 0.65,1038 0.688,1039 0.688,1040 4.489,1041 1,1042 5.176,1043 2.136,1044 3.892,1045 4.511,1046 1.701,1047 5.844,1048 3.875,1049 5.651,1050 -0.159,1051 6.645,1052 2.136,1053 3.219,1054 3.951,1056 6.418,1057 3.209,1058 6.902,1059 -0.287,1060 8.213,1061 -0.394,1062 5.342,1063 6.548,1064 1.795,1065 9.472,1066 5.298,1067 8.186,1068 -1,1069 9.84,1070 -0.649,1071 5.485,1072 6.739,1074 10.865,1075 5.453,1076 9.496,1077 -1,1078 11.505,1079 -2.249,1080 7.05,1081 8.813,1082 1.89,1083 13.385,1084 6.985,1085 10.827,1086 -1,1087 13.195,1088 -2.26,1089 7.595,1090 9.371,1092 15.125,1093 7.542,1094 12.172,1095 -1,1096 14.902,1097 -2.347,1098 8.89,1099 11.179,1100 1.987,1101 17.43,1102 8.81,1103 2.821,1104 -1.414,1105 16.622,1106 -2.347,1107 9.649,1108 11.946,1110 19.341,1111 9.576,1112 2.517,1113 8.392,1114 18.352,1115 -3.894,1116 10.805,1117 13.594,1118 2.086,1119 21.549,1120 10.715,1121 2.286,1122 7.116,1123 20.088,1124 3.568,1125 11.682,1126 14.496,1128 23.552,1129 11.595,1130 1.552,1131 6.351,1132 21.83,1133 3.449,1134 12.769,1135 16.035,1136 2.186,1137 25.714,1138 12.67,1139 1.414,1140 3.426,1141 23.577,1142 3.167,1143 13.711,1144 17.033,1146 27.768,1147 13.612,1148 1,1149 3.018,1150 25.327,1151 2.141,1152 14.764,1153 18.496,1154 2.287,1155 29.91,1156 14.657,1157 1,1158 2.401,1159 27.081,1160 2.018,1161 15.744,1162 19.561,1164 31.993,1165 15.635,1166 2925,1167 5130,1168 12.712,1169 20.727,1170 27.68,1171 28.864,1172 27.809,1173 27.189,1174 27.18,1175 37.553,1176 4.233,1177 69.95,1178 27.016,1179 5.029,1180 5.835,1181 5.766,1182 4.833,1183 4.821,1184 6.568,1185 2.117,1186 14.617,1187 4.807,1188 6.723,1189 1.457,1190 1.519,1191 1.464,1192 1.431,1193 1.431,1194 1.976,1195 0.223,1196 3.682,1197 1.422,1198 3.938,1199 3.973,1200 3.878,1201 3.847,1202 7.499,1203 3.847,1204 3.875,1205 3.91,1206 3.804,1207 3.807,1208 7.353,1209 3.801,1210 3.555,1211 3.568,1212 3.518,1213 3.308,1214 4.781,1215 3.363,1216 3.052,1217 3.124,1218 2.956,1219 2.833,1220 4.755,1221 2.848,1222 2.854,1223 2.925,1224 2.692,1225 2.735,1226 3.961,1227 2.715,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.87,1233 2.715,1234 2.8,1235 2.844,1236 2.687,1237 2.659,1238 3.674,1239 2.66,1240 2.519,1241 2.558,1242 2.433,1243 2.162,1244 3.674,1245 2.229,1246 0.218,1247 0.202,1248 0.314,1249 0.201,1250 0.148,1251 4.139,1252 0.188,1253 3.835,1254 0.056,1255 5.964,1256 0.442,1257 3.82,1258 0.148,1259 2.821,1260 3.568,1261 1.058,1262 8.392,1263 2.807,1264 1.897,1265 1.866,1266 2.017,1267 2.013,1268 1.066,1269 2.013,1270 1.878,1271 1.847,1272 2.004,1273 1.972,1274 1.057,1275 1.985,1276 1.406,1277 1.391,1278 1.488,1279 1.677,1280 0.392,1281 1.624,1282 0.977,1283 0.912,1284 1.195,1285 1.254,1286 0.233,1287 1.236,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 0.775,1301 0.734,1302 1.001,1303 0.972,1304 0.004,1305 0.981,1306 0.377,1307 0.316,1308 0.739,1309 0.743,1311 0.744,1312 3.664,1314 4.905,1316 6.34,1318 7.85,1320 9.393,1329 5.022,1340 20.106,1341 46.884,1342 70.768,1343 80.478,1344 95.697,1345 101.207,1346 101.207,1347 29.146,1348 5.849,1349 58.2,1350 58.2,1351 12,1352 11.521,1353 3.907,1354 3.17,1355 31.104,1356 55,1357 46,1358 0.276,1359 128.438,1360 222.7,1361 305.15,1362 2208,1364 12.795,1365 0.711,1366 0.533,1367 12.795,1368 9.59,1369 8.754,1370 0.461,1371 0.288,1372 5.418,1373 8.495,1374 5.317,1375 4.464,1376 8.754,1377 5.48,1378 7.434,1379 0.31,1380 0.152,1381 7.434,1382 3.64,1383 5.831,1384 0.208,1385 0.081,1386 5.831,1387 2.27,1388 4.362,1389 0.136,1390 0.044,1391 4.362,1392 1.419,1393 3.423,1394 0.093,1395 0.024,1396 3.423,1397 0.89,1398 0.433,1399 54.495,1400 0.28,1401 18.453,1402 0.752,1403 86,1404 286.137,1405 94.536,1406 278.89,1407 368.84,1408 258,1409 95,1410 259.78,1411 103.232,1412 263.989,1413 377.24,1414 248,1415 4}
{0 CHEMBL1812848,1 1.574,2 8.556,3 4.292,4 18.421,5 76.419,6 9.799,7 0.632,8 3.414,9 3.471,10 3.339,11 3.231,12 4.651,13 3.127,14 3.824,15 3.898,16 3.749,17 3.553,18 5.077,19 3.418,20 4.02,21 4.157,22 3.807,23 3.589,24 5.359,25 3.397,26 3.82,27 3.969,28 3.395,29 3.307,30 5.086,31 3.158,32 3.714,33 3.805,34 3.432,35 3.17,36 5.296,37 3.101,38 3.663,39 3.721,40 3.331,41 3.113,42 5.263,43 3.014,44 3.434,45 3.518,46 2.949,47 2.946,48 4.828,49 2.819,50 3.289,51 3.422,52 2.54,53 2.843,54 4.382,55 2.719,56 0.014,57 0.269,58 3.343,59 2.341,60 3.616,61 2.71,62 0.064,63 0.448,64 7.321,65 4.194,66 6.108,67 4.304,68 0.222,69 0.654,70 19.989,71 7.298,72 39.157,73 6.715,74 0.079,75 0.523,76 13.805,77 5.455,78 13.649,79 5.46,80 0.139,81 0.435,82 9.808,83 4.212,84 27.44,85 3.37,86 0.209,87 0.428,88 11.398,89 4.43,90 41.945,91 2.622,92 0.155,93 0.341,94 9.647,95 3.601,96 31.193,97 2.49,98 0.058,99 0.266,100 5.425,101 2.465,102 11.257,103 2.682,104 5,105 24,106 0.302,107 0.412,108 0.479,109 0.583,110 0.621,111 0.621,112 2.959,113 1.094,114 -4.12,115 -4.07,116 -3.85,121 50,144 10,146 2,160 2,176 8,180 2,187 12,191 1,192 2,200 9,206 4,214 2,219 8,227 4,232 6,239 4,244 2,251 6,264 8,277 8,281 376,282 12.19,283 12.19,284 12.19,285 12.19,286 12.19,287 10.441,288 5.828,289 7.609,290 12.53,291 9.401,292 9.401,293 9.401,294 9.401,295 9.401,296 6.847,297 3.661,298 3.672,299 9.948,300 3.233,301 2.659,302 2.312,303 1.768,304 1.571,305 1.571,306 3.617,311 1,312 1,313 322,314 3,318 130.715,325 1.383,326 18.838,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 38,338 154,339 4.139,340 4.952,341 5.964,342 3.745,343 2.821,344 3.568,345 3.973,346 8.392,347 2.568,348 3.9,349 4.497,350 5.386,351 3.44,352 2.517,353 3.449,354 3.973,355 7.116,356 2.318,357 3.735,358 3.576,359 5.19,360 3.271,361 2.286,362 3.167,364 6.351,365 2.227,366 2.98,367 3.161,368 3.922,369 2.497,370 1.552,371 2.141,373 3.426,374 1.438,375 2.866,376 1.851,377 3.585,378 2.386,379 1.414,380 2.018,382 3.018,383 1.359,384 2.589,385 1.833,386 3.424,387 2,388 1,389 1.5,391 2.401,392 1,393 2.5,394 1.472,395 3.247,396 2,397 1,398 1.5,400 2.136,401 1,402 2.5,403 1.471,404 3.247,405 1.986,406 1,407 1.435,409 2.136,410 0.937,411 1.18,412 1,413 2.677,414 0.731,415 -0.159,416 -0.197,418 -0.394,419 -0.137,420 1.175,421 1,422 2.13,423 0.678,424 -0.287,425 -0.405,427 -0.649,428 -0.268,429 0.517,430 0.459,431 1.555,433 -1,434 -1.384,436 -2.249,437 -0.94,438 0.5,439 0.446,440 1.555,442 -1,443 -1.456,445 -2.26,446 -0.958,447 0.5,448 -0.894,449 1.511,450 -0.009,451 -1,452 -1.5,454 -2.347,455 -1,456 0.462,457 -1,458 1.252,459 -0.028,460 -1,461 -1.5,463 -2.347,464 -1,465 -0.047,466 -1,467 1.189,468 -0.371,469 -1.414,470 -2,472 -3.894,473 -1.438,474 9.333,475 0.519,476 0.332,477 0.018,478 26,479 1.444,480 16,481 0.889,482 10,483 0.556,484 10.408,485 0.578,486 17.667,487 0.631,488 15.876,489 0.882,490 5.2,491 0.289,492 3.554,493 0.197,494 0.071,496 0.214,501 0.49,502 0.752,503 0.695,504 0.713,505 0.52,506 0.737,507 0.527,508 1.053,509 0.865,510 1.048,511 0.654,512 0.99,513 0.488,514 1.094,515 1.104,516 1.204,517 0.545,518 1.038,519 0.935,520 1.114,521 1.166,522 1.173,523 0.87,524 0.987,525 2.175,526 0.961,527 1.057,528 0.948,529 2.113,530 0.772,531 2.998,532 1.035,533 1.681,534 1.217,535 2.92,536 0.98,537 2.262,538 0.988,539 1.709,540 1.232,541 2.171,542 1.083,543 0.753,544 1.052,545 1.042,546 1.018,547 0.717,548 1.238,549 3,550 0.016,551 1.333,552 0.75,553 0.862,554 0.347,555 0.245,556 0.142,557 0.009,558 0.023,559 2927,560 9475,561 2.026,562 35.7,564 10,572 1.583,573 1.929,574 3.126,575 -0.763,577 1,582 44.084,583 1.574,584 2.149,585 2.496,586 3.039,587 3.236,588 3.236,589 2.503,590 2.725,591 4.144,592 3.226,593 493.515,594 7.014,595 4790.62,597 1,599 1,600 134.606,601 1.224,602 4.116,603 0.158,604 0.004,605 0.056,606 0.034,607 0.048,608 0.018,609 0.015,610 0.012,611 0.001,612 0.003,613 0.349,614 0.67,615 1,616 0.584,617 77.604,618 -0.004,619 0.058,620 0.047,621 0.078,622 -0.051,623 0.046,624 0.115,625 -0.171,626 0.093,627 -0.112,628 -0.038,629 -0.137,630 0.344,631 -0.072,632 0.147,633 -0.051,634 0.252,635 -0.011,636 0.018,637 -0.105,638 -0.04,639 -0.099,640 0.073,641 0.031,642 -0.276,643 0.045,644 -0.046,645 0.056,646 -0.136,647 0.091,648 -0.643,649 0.037,650 -0.443,651 -0.053,652 -0.47,653 -0.147,654 -0.572,655 0.037,656 -0.556,657 -0.13,658 -0.432,659 -0.206,660 -0.185,661 -0.205,662 -0.386,663 -0.273,664 -0.156,665 -0.356,666 2.116,667 4.709,668 0.667,669 11.901,670 1.008,671 1.083,672 2.892,673 8.365,674 0.786,675 2.996,676 3.219,677 3.367,678 3.497,679 3.638,680 3.367,681 3.367,682 3.367,683 3.219,684 3.045,685 5.144,686 0.73,687 274.38,688 2.996,689 4.466,690 5.252,691 6.066,692 6.868,693 7.685,694 8.492,695 9.31,696 10.119,697 10.937,715 10,720 2,722 12,741 28,743 14,744 2,745 19,747 29,748 14,749 12,750 2,751 10,752 2,756 2,757 2,772 14,777 2,782 2,786 2,790 1,793 10,794 2,796 4,797 2,808 1,809 2,829 2,847 2,859 2,862 2,868 18,879 2,893 7.1,896 2,901 9.333,902 5,903 4.111,904 1.535,907 2.005,908 1.343,909 0.967,910 4.623,911 7.854,912 3.332,913 3.829,914 4.27,915 4.684,916 5.147,917 4.829,918 5.015,919 5.265,920 5.154,921 5.03,922 0.833,923 22,924 6.65,926 2.757,927 0.026,929 7.963,931 12.402,933 9.665,936 2.463,937 44.333,938 0.001,941 117.711,942 169.3,945 50.29,947 64.439,948 104.861,949 168.001,953 94.762,954 57.287,955 3.101,957 182.15,959 117.711,960 104.861,961 50.29,962 64.439,964 117.711,965 50.29,969 104.861,971 64.439,972 117.711,973 50.29,974 169.3,977 117.711,978 74.538,979 94.762,981 50.29,982 117.711,983 50.29,984 169.3,986 0.559,987 0.311,988 0.158,989 0.086,990 10,991 4,992 0.172,993 5,995 1,996 3.15,997 115.997,999 12,1000 49.059,1001 2,1005 12.938,1006 6.433,1007 4.038,1009 50.29,1010 18.325,1015 1.564,1018 337.301,1019 27,1024 23.419,1028 -0.898,1031 28.225,1032 30.335,1034 0.328,1035 0.447,1036 0.519,1037 0.632,1038 0.673,1039 0.673,1040 4.489,1041 1,1042 5.176,1043 2.136,1044 3.892,1045 4.511,1046 4.161,1047 5.844,1048 3.773,1049 5.651,1050 -0.159,1051 6.645,1052 2.136,1053 3.219,1054 3.951,1056 6.418,1057 2.969,1058 6.902,1059 -0.287,1060 8.213,1061 -0.394,1062 5.342,1063 6.548,1064 6.905,1065 9.472,1066 5.076,1067 8.186,1068 -1,1069 9.84,1070 -0.649,1071 5.485,1072 6.739,1074 10.865,1075 5.048,1076 9.496,1077 -1,1078 11.505,1079 -2.249,1080 7.05,1081 8.813,1082 9.663,1083 13.385,1084 6.624,1085 10.827,1086 -1,1087 13.195,1088 -2.26,1089 7.595,1090 9.371,1092 15.125,1093 6.98,1094 12.172,1095 -1,1096 14.902,1097 -2.347,1098 8.89,1099 11.179,1100 12.422,1101 17.43,1102 8.287,1103 2.821,1104 -1.414,1105 16.622,1106 -2.347,1107 9.649,1108 11.946,1110 19.341,1111 8.856,1112 2.517,1113 8.392,1114 18.352,1115 -3.894,1116 10.805,1117 13.594,1118 15.181,1119 21.549,1120 10.013,1121 2.286,1122 7.116,1123 20.088,1124 3.568,1125 11.682,1126 14.496,1128 23.552,1129 10.709,1130 1.552,1131 6.351,1132 21.83,1133 3.449,1134 12.769,1135 16.035,1136 17.94,1137 25.714,1138 11.777,1139 1.414,1140 3.426,1141 23.577,1142 3.167,1143 13.711,1144 17.033,1146 27.768,1147 12.555,1148 1,1149 3.018,1150 25.327,1151 2.141,1152 14.764,1153 18.496,1154 20.699,1155 29.91,1156 13.568,1157 1,1158 2.401,1159 27.081,1160 2.018,1161 15.744,1162 19.561,1164 31.993,1165 14.399,1166 2925,1167 5398,1168 12.712,1169 22.011,1170 27.68,1171 32.153,1172 27.809,1173 27.324,1174 27.18,1175 37.553,1176 15.891,1177 69.95,1178 25.694,1179 5.029,1180 6.952,1181 5.766,1182 4.898,1183 4.821,1184 6.568,1185 7.945,1186 14.617,1187 4.568,1188 6.723,1189 1.457,1190 1.692,1191 1.464,1192 1.438,1193 1.431,1194 1.976,1195 0.836,1196 3.682,1197 1.352,1198 3.906,1199 3.925,1200 4.116,1201 3.888,1202 7.496,1203 3.851,1204 3.859,1205 3.886,1206 3.932,1207 3.83,1208 7.351,1209 3.804,1210 3.495,1211 3.457,1212 3.623,1213 3.405,1214 4.749,1215 3.367,1216 2.916,1217 2.93,1218 3.341,1219 2.947,1220 4.728,1221 2.841,1222 2.854,1223 2.925,1224 2.774,1225 2.735,1226 3.677,1227 2.715,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 2.777,1235 2.82,1236 2.687,1237 2.666,1238 3.674,1239 2.658,1240 2.468,1241 2.426,1242 2.456,1243 2.23,1244 3.635,1245 2.204,1246 0.218,1247 0.261,1248 0.314,1249 0.197,1250 0.148,1251 4.139,1252 0.188,1253 4.952,1254 0.209,1255 5.964,1256 0.442,1257 3.745,1258 0.135,1259 2.821,1260 3.568,1261 3.973,1262 8.392,1263 2.568,1264 1.884,1265 1.865,1266 1.985,1267 1.947,1268 1.069,1269 1.973,1270 1.87,1271 1.846,1272 1.982,1273 1.937,1274 1.058,1275 1.962,1276 1.343,1277 1.379,1278 1.225,1279 1.513,1280 0.355,1281 1.479,1282 0.895,1283 0.88,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.886,1295 0.821,1296 1.052,1297 0.989,1298 0.206,1299 1.044,1300 0.769,1301 0.73,1302 1,1303 0.933,1305 0.967,1306 0.212,1307 0.251,1308 0.381,1309 0.592,1311 0.498,1312 3.664,1314 4.905,1316 6.34,1318 7.85,1320 9.393,1331 1.923,1340 20.438,1341 44.084,1342 60.167,1343 69.877,1344 85.096,1345 90.606,1346 90.606,1347 32.669,1348 5.849,1349 34.14,1350 84.74,1351 12,1352 11.521,1353 3.907,1354 3.17,1355 31.104,1356 55,1357 46,1358 0.276,1359 137.112,1360 237.72,1361 326.312,1362 2208,1364 12.795,1365 0.711,1366 0.613,1367 13.502,1368 11.039,1369 8.754,1370 0.461,1371 0.365,1372 5.412,1373 7.69,1374 5.133,1375 4.292,1376 9.571,1377 6.929,1378 7.434,1379 0.31,1380 0.229,1381 8.891,1382 5.498,1383 5.831,1384 0.208,1385 0.141,1386 7.389,1387 3.961,1388 4.362,1389 0.136,1390 0.085,1391 5.789,1392 2.706,1393 3.423,1394 0.093,1395 0.052,1396 4.767,1397 1.935,1398 0.433,1399 61.844,1400 0.28,1401 18.453,1402 0.752,1403 86,1404 287.192,1405 143.673,1406 321.253,1407 423.72,1408 298,1409 95,1410 260.758,1411 143.083,1412 298.565,1413 432,1414 280,1415 4}
{0 CHEMBL1812849,1 1.432,2 8.556,3 3.176,4 10.084,5 63.532,6 8.651,7 0.632,8 3.446,9 3.507,10 3.128,11 3.022,12 4.752,13 3.041,14 3.871,15 3.946,16 3.43,17 3.283,18 5.311,19 3.296,20 4.077,21 4.216,22 3.41,23 3.259,24 5.579,25 3.255,26 3.862,27 4.017,28 3.178,29 3.031,30 5.197,31 3.051,32 3.75,33 3.845,34 3.233,35 2.897,36 5.376,37 3,38 3.712,39 3.781,40 3.099,41 2.767,42 5.361,43 2.89,44 3.48,45 3.575,46 2.77,47 2.697,48 4.93,49 2.729,50 3.307,51 3.445,52 2.522,53 2.789,54 4.423,55 2.702,56 0.078,57 0.314,58 3.823,59 2.563,60 7.052,61 2.549,62 0.297,63 0.477,64 6.771,65 3.879,66 22.694,67 3.968,68 0.62,69 0.585,70 11.817,71 4.81,72 63.164,73 5.303,74 0.272,75 0.476,76 9.623,77 3.929,78 24.636,79 4.166,80 0.297,81 0.402,82 7.979,83 3.16,84 34.801,85 2.563,86 0.4,87 0.37,88 7.919,89 2.795,90 52.727,91 1.496,92 0.303,93 0.304,94 6.271,95 2.374,96 40.877,97 1.631,98 0.134,99 0.281,100 4.474,101 2.359,102 15.766,103 2.533,104 5,105 24,106 0.275,107 0.412,108 0.479,109 0.583,110 0.621,111 0.621,112 2.959,113 0.836,114 -4.1,115 -4.05,116 -3.83,121 50,144 10,146 2,160 2,176 8,179 2,180 4,187 8,191 4,192 4,200 4,206 6,219 12,232 10,244 4,251 4,264 8,277 8,281 376,282 12.19,283 12.19,284 12.19,285 12.19,286 12.19,287 10.441,288 10.126,289 7.609,290 12.388,291 9.401,292 9.401,293 9.401,294 9.401,295 9.401,296 6.847,297 10.644,298 3.672,299 9.707,300 3.376,301 2.659,302 2.312,303 1.768,304 1.571,305 1.571,306 3.617,311 1,312 1,313 322,314 3,318 130.715,325 1.383,326 23.02,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 40,338 154,339 4.139,340 3.954,341 5.964,342 3.782,343 2.821,344 3.568,345 1.674,346 8.392,347 2.689,348 3.9,349 3.126,350 5.386,351 3.464,352 2.517,353 3.449,354 1.674,355 7.116,356 2.381,357 3.735,358 2.673,359 5.19,360 3.282,361 2.286,362 3.167,364 6.351,365 2.261,366 2.98,367 2.561,368 3.922,369 2.518,370 1.552,371 2.141,373 3.426,374 1.485,375 2.866,376 1.588,377 3.585,378 2.396,379 1.414,380 2.018,382 3.018,383 1.382,384 2.589,385 1.587,386 3.424,387 2.014,388 1,389 1.5,391 2.401,392 1,393 2.5,394 1,395 3.247,396 2,397 1,398 1.5,400 2.136,401 1,402 2.5,403 1,404 3.247,405 2,406 1,407 1.435,409 2.136,410 0.985,411 1.18,412 0.714,413 2.677,414 0.775,415 -0.159,416 -0.197,418 -0.394,419 -0.146,420 1.175,421 0.641,422 2.13,423 0.712,424 -0.287,425 -0.405,427 -0.649,428 -0.282,429 0.517,430 -0.245,431 1.555,432 0.009,433 -1,434 -1.384,436 -2.249,437 -0.978,438 0.5,439 -0.473,440 1.555,442 -1,443 -1.456,445 -2.26,446 -0.991,447 0.5,448 -1,449 1.511,451 -1,452 -1.5,454 -2.347,455 -1,456 0.462,457 -1,458 1.252,459 -0.007,460 -1,461 -1.5,463 -2.347,464 -1,465 -0.047,466 -1.081,467 1.189,468 -0.362,469 -1.414,470 -2,472 -3.894,473 -1.49,474 8.333,475 0.463,476 0.332,477 0.018,478 27,479 1.5,480 16,481 0.889,482 11,483 0.611,484 8.425,485 0.468,486 18.667,487 0.667,488 17.859,489 0.992,490 5.784,491 0.321,492 2.97,493 0.165,494 0.08,496 0.24,501 0.71,502 1.066,503 0.634,504 1.038,505 0.58,506 0.869,507 0.64,508 1.227,509 0.816,510 1.223,511 0.546,512 1.114,513 0.736,514 0.928,515 0.891,516 0.94,517 0.516,518 0.96,519 1.185,520 1.054,521 0.882,522 1.018,523 0.968,524 0.894,525 1.813,526 1.048,527 0.955,528 0.966,529 2.08,530 0.753,531 2.574,532 0.913,533 1.485,534 0.842,535 2.911,536 0.817,537 2.104,538 0.69,539 1.529,540 0.678,541 2.22,542 0.855,543 0.744,544 0.886,545 1.274,546 0.953,547 0.757,548 1.201,549 3,550 0.016,551 1.333,552 0.75,553 0.862,554 0.347,555 0.245,556 0.142,557 0.009,558 0.023,559 2927,560 9475,561 2.026,562 35.7,564 10,572 1.583,573 1.929,574 3.126,575 -0.763,577 1,579 1,582 40.084,583 1.432,584 2.149,585 2.496,586 3.039,587 3.236,588 3.236,589 2.503,590 2.725,591 4.144,592 3.226,593 493.515,594 7.014,595 4790.62,597 1,599 1,600 134.606,601 1.224,602 4.116,603 0.158,604 0.004,605 0.056,606 0.034,607 0.048,608 0.018,609 0.015,610 0.012,611 0.001,612 0.003,613 0.349,614 0.67,615 1,616 0.584,617 77.604,618 -0.036,619 -0.104,620 0.038,621 -0.091,622 -0.078,623 -0.025,624 0.247,625 -0.272,626 -0.033,627 -0.286,628 0.118,629 -0.26,630 0.378,631 0.038,632 0.124,633 0.019,634 0.34,635 -0.003,636 -0.125,637 -0.093,638 0.146,639 -0.057,640 -0.003,641 0.084,642 -0.334,643 -0.084,644 0.053,645 -0.042,646 -0.217,647 0.087,648 -0.679,649 0.059,650 -0.441,651 0.056,652 -0.603,653 -0.072,654 -0.601,655 0.288,656 -0.55,657 0.252,658 -0.55,659 -0.034,660 -0.166,661 0.08,662 -0.472,663 0.026,664 -0.187,665 -0.234,666 2.718,667 4.42,668 0.667,669 11.901,670 1.026,671 1.104,672 2.873,673 8.252,674 0.701,675 2.996,676 3.219,677 3.367,678 3.497,679 3.638,680 3.367,681 3.367,682 3.367,683 3.219,684 3.045,685 5.144,686 0.696,687 242.24,688 2.996,689 4.466,690 5.252,691 6.066,692 6.868,693 7.685,694 8.492,695 9.31,696 10.119,697 10.937,715 10,720 2,722 12,741 28,743 14,744 2,745 19,747 29,748 14,749 12,750 2,751 10,752 2,756 2,757 2,772 14,777 2,782 2,786 2,790 1,793 10,794 4,796 4,808 1,809 4,829 2,846 2,859 2,868 18,878 2,893 14.3,896 2,898 2,901 9.333,902 5,903 4.111,904 1.535,907 2.005,908 1.343,909 0.941,910 3.971,911 7.854,912 3.332,913 3.829,914 4.27,915 4.684,916 5.147,917 4.829,918 5.015,919 5.265,920 5.154,921 5.03,922 0.833,923 22,924 6.623,926 2.746,927 0.026,929 8.148,931 11.994,933 9.033,936 2.648,937 47.667,941 117.711,942 119.632,945 72.29,948 119.632,949 190.001,953 94.762,954 64.673,955 32.487,957 117.711,959 117.711,960 119.632,961 72.29,964 117.711,965 72.29,969 119.632,972 117.711,973 72.29,974 119.632,977 117.711,978 24.87,979 94.762,981 72.29,982 117.711,983 72.29,984 119.632,986 0.559,987 0.311,988 0.158,989 0.086,990 10,991 4,992 0.172,993 5,995 1,996 3.15,997 115.997,999 12,1000 49.059,1005 12.179,1006 5.869,1007 3.617,1009 72.29,1010 16.661,1015 0.597,1018 309.633,1019 27,1024 22.84,1028 -2.102,1031 28.727,1032 30.914,1034 0.298,1035 0.447,1036 0.519,1037 0.632,1038 0.673,1039 0.673,1040 4.489,1041 1,1042 5.176,1043 2.136,1044 3.892,1045 4.511,1046 2.503,1047 5.844,1048 3.824,1049 5.651,1050 -0.159,1051 6.645,1052 2.136,1053 3.219,1054 3.951,1056 6.418,1057 3.096,1058 6.902,1059 -0.287,1060 8.213,1061 -0.394,1062 5.342,1063 6.548,1064 3.479,1065 9.472,1066 5.186,1067 8.186,1068 -1,1069 9.84,1070 -0.649,1071 5.485,1072 6.739,1074 10.865,1075 5.259,1076 9.496,1077 -1,1078 11.505,1079 -2.249,1080 7.05,1081 8.813,1082 4.49,1083 13.385,1084 6.801,1085 10.827,1086 -1,1087 13.195,1088 -2.26,1089 7.595,1090 9.371,1092 15.125,1093 7.27,1094 12.172,1095 -1,1096 14.902,1097 -2.347,1098 8.89,1099 11.179,1100 5.514,1101 17.43,1102 8.545,1103 2.821,1104 -1.414,1105 16.622,1106 -2.347,1107 9.649,1108 11.946,1110 19.341,1111 9.225,1112 2.517,1113 8.392,1114 18.352,1115 -3.894,1116 10.805,1117 13.594,1118 6.542,1119 21.549,1120 10.361,1121 2.286,1122 7.116,1123 20.088,1124 3.568,1125 11.682,1126 14.496,1128 23.552,1129 11.161,1130 1.552,1131 6.351,1132 21.83,1133 3.449,1134 12.769,1135 16.035,1136 7.572,1137 25.714,1138 12.222,1139 1.414,1140 3.426,1141 23.577,1142 3.167,1143 13.711,1144 17.033,1146 27.768,1147 13.092,1148 1,1149 3.018,1150 25.327,1151 2.141,1152 14.764,1153 18.496,1154 8.603,1155 29.91,1156 14.113,1157 1,1158 2.401,1159 27.081,1160 2.018,1161 15.744,1162 19.561,1164 31.993,1165 15.027,1166 2925,1167 5398,1168 12.712,1169 19.625,1170 27.68,1171 29.016,1172 27.809,1173 27.251,1174 27.18,1175 37.553,1176 6.698,1177 69.95,1178 26.367,1179 5.029,1180 5.954,1181 5.766,1182 4.864,1183 4.821,1184 6.568,1185 3.349,1186 14.617,1187 4.689,1188 6.723,1189 1.457,1190 1.527,1191 1.464,1192 1.434,1193 1.431,1194 1.976,1195 0.353,1196 3.682,1197 1.388,1198 3.92,1199 3.937,1200 3.863,1201 3.829,1202 7.503,1203 3.83,1204 3.866,1205 3.892,1206 3.797,1207 3.796,1208 7.356,1209 3.792,1210 3.521,1211 3.489,1212 3.501,1213 3.237,1214 4.845,1215 3.311,1216 2.959,1217 2.967,1218 2.894,1219 2.754,1220 4.808,1221 2.772,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 4.227,1227 2.715,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 4.129,1233 2.715,1234 2.784,1235 2.825,1236 2.677,1237 2.65,1238 3.674,1239 2.649,1240 2.482,1241 2.452,1242 2.425,1243 2.027,1244 3.674,1245 2.148,1246 0.218,1247 0.208,1248 0.314,1249 0.199,1250 0.148,1251 4.139,1252 0.188,1253 3.954,1254 0.088,1255 5.964,1256 0.442,1257 3.782,1258 0.142,1259 2.821,1260 3.568,1261 1.674,1262 8.392,1263 2.689,1264 1.877,1265 1.855,1266 1.999,1267 1.987,1268 1.041,1269 1.987,1270 1.865,1271 1.84,1272 1.992,1273 1.959,1274 1.037,1275 1.971,1276 1.313,1277 1.344,1278 1.34,1279 1.623,1280 0.218,1281 1.533,1282 0.886,1283 0.843,1284 1.181,1285 1.112,1286 0.218,1287 1.107,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.192,1293 1.107,1294 0.871,1295 0.821,1296 1.089,1297 1.062,1298 0.145,1299 1.087,1300 0.767,1301 0.726,1302 1,1303 0.952,1305 0.971,1306 0.173,1307 0.213,1308 0.381,1309 0.667,1311 0.558,1312 3.664,1314 4.905,1316 6.34,1318 7.85,1320 9.393,1330 9.67,1340 19.493,1341 40.084,1342 60.167,1343 69.877,1344 85.096,1345 90.606,1346 90.606,1347 27.358,1348 5.849,1349 52.6,1350 52.6,1351 12,1352 11.521,1353 3.907,1354 3.17,1355 31.104,1356 55,1357 46,1358 0.276,1359 122.842,1360 218.28,1361 291.495,1362 2208,1364 12.795,1365 0.711,1366 0.523,1367 12.795,1368 9.406,1369 8.754,1370 0.461,1371 0.279,1372 5.213,1373 8.381,1374 5.133,1375 4.292,1376 8.754,1377 5.296,1378 7.434,1379 0.31,1380 0.142,1381 7.434,1382 3.405,1383 5.831,1384 0.208,1385 0.074,1386 5.831,1387 2.074,1388 4.362,1389 0.136,1390 0.04,1391 4.362,1392 1.274,1393 3.423,1394 0.093,1395 0.021,1396 3.423,1397 0.784,1398 0.433,1399 55.312,1400 0.28,1401 18.453,1402 0.752,1403 86,1404 344.942,1405 99.064,1406 321.253,1407 423.72,1408 298,1409 95,1410 301.818,1411 107.402,1412 298.565,1413 432,1414 280,1415 4}
{0 CHEMBL1812850,1 1.272,2 8.556,3 2.89,4 8.354,5 70.985,6 7.447,7 0.632,8 3.522,9 3.62,10 3.084,11 3.188,12 4.686,13 3.141,14 3.997,15 4.136,16 3.357,17 3.519,18 5.119,19 3.446,20 4.264,21 4.446,22 3.355,23 3.572,24 5.535,25 3.471,26 4.226,27 4.45,28 3.181,29 3.406,30 5.375,31 3.298,32 4.074,33 4.285,34 3.208,35 3.239,36 5.406,37 3.191,38 3.901,39 4.052,40 3.065,41 3.115,42 5.342,43 3.083,44 3.811,45 4.018,46 2.767,47 3.043,48 4.986,49 2.937,50 3.626,51 3.857,52 2.549,53 2.963,54 4.557,55 2.814,56 0.007,57 0.356,58 5.846,59 3.071,60 4.567,61 3.891,62 0.02,63 0.583,64 10.246,65 5.036,66 10.456,67 6.478,68 0.22,69 0.756,70 15.199,71 6.476,72 59.722,73 8.243,74 0.134,75 0.734,76 15.587,77 6.315,78 38.038,79 8.148,80 0.134,81 0.616,82 13.541,83 5.218,84 38.041,85 6.451,86 0.168,87 0.498,88 10.935,89 4.096,90 45.39,91 4.499,92 0.137,93 0.475,94 10.238,95 4.046,96 35.493,97 5.01,98 0.063,99 0.41,100 8.17,101 3.597,102 16.676,103 4.885,104 5,105 24,106 0.237,107 0.452,108 0.509,109 0.598,110 0.63,111 0.63,112 2.959,113 0.931,114 -4.09,115 -4.04,116 -3.82,121 50,123 2,144 10,145 2,158 2,176 14,180 2,187 16,191 1,192 4,200 11,206 6,214 4,219 8,227 5,232 6,239 8,244 2,251 10,264 10,277 8,281 376,282 12.19,283 12.19,284 12.19,285 12.19,286 12.19,287 10.441,288 11.244,289 7.609,290 12.13,291 9.401,292 9.401,293 9.401,294 9.401,295 9.401,296 6.847,297 13.024,298 3.672,299 9.276,300 3.728,301 2.576,302 2.273,303 1.797,304 1.625,305 1.625,306 3.617,310 1,311 1,312 1,313 322,314 3,318 130.715,325 1.383,326 19.069,328 1,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 38,338 154,339 4.139,340 3.904,341 5.964,342 3.859,343 2.821,344 3.568,345 1.447,346 8.392,347 2.925,348 3.9,349 3.056,350 5.386,351 3.518,352 2.517,353 3.449,354 1.447,355 7.116,356 2.521,357 3.735,358 2.617,359 5.19,360 3.307,361 2.286,362 3.167,364 6.351,365 2.326,366 2.98,367 2.527,368 3.922,369 2.565,370 1.552,371 2.141,373 3.426,374 1.57,375 2.866,376 1.561,377 3.585,378 2.418,379 1.414,380 2.018,382 3.018,383 1.419,384 2.589,385 1.56,386 3.424,387 2.07,388 1,389 1.5,391 2.401,392 1.062,393 2.5,394 1,395 3.247,396 2,397 1,398 1.5,400 2.136,401 1,402 2.5,403 1,404 3.247,405 2,406 1,407 1.435,409 2.136,410 1,411 1.18,412 0.644,413 2.677,414 0.863,415 -0.159,416 -0.197,418 -0.394,419 -0.162,420 1.175,421 0.557,422 2.13,423 0.777,424 -0.287,425 -0.405,427 -0.649,428 -0.304,429 0.517,430 -0.305,431 1.555,432 0.046,433 -1,434 -1.384,436 -2.249,437 -1,438 0.5,439 -0.563,440 1.555,441 0.036,442 -1,443 -1.456,445 -2.26,446 -1,447 0.5,448 -1,449 1.511,451 -1,452 -1.5,454 -2.347,455 -1.03,456 0.462,457 -1,458 1.252,460 -1,461 -1.5,463 -2.347,464 -1.038,465 -0.047,466 -1.099,467 1.189,468 -0.346,469 -1.414,470 -2,472 -3.894,473 -1.53,474 8.667,475 0.481,476 0.332,477 0.018,478 25,479 1.389,480 15,481 0.833,482 10,483 0.556,484 10.197,485 0.566,486 18.333,487 0.573,488 16.087,489 0.894,490 5.258,491 0.292,492 3.496,493 0.194,494 0.077,496 0.231,501 0.471,502 0.939,503 0.765,504 0.938,505 0.505,506 0.898,507 0.576,508 1.148,509 0.935,510 1.146,511 0.632,512 1.098,513 0.972,514 1.107,515 1.111,516 1.113,517 1.014,518 1.128,519 1.17,520 1.026,521 0.995,522 1.016,523 1.156,524 0.988,525 1.577,526 0.887,527 0.822,528 0.847,529 1.518,530 0.753,531 2.445,532 1.013,533 1.295,534 0.985,535 2.388,536 0.987,537 1.576,538 0.88,539 1.183,540 0.888,541 1.541,542 0.968,543 0.56,544 0.916,545 1.011,546 0.944,547 0.554,548 1.023,549 3,550 0.016,551 1.333,552 0.75,553 0.862,554 0.347,555 0.245,556 0.142,557 0.009,558 0.023,559 2927,560 7851,561 2.026,562 43.8,564 10,568 4,572 1.583,573 1.929,574 3.126,575 -0.873,577 1,578 1,579 1,582 40.697,583 1.272,584 2.424,585 2.727,586 3.203,587 3.375,588 3.375,589 2.503,590 2.725,591 4.144,592 3.226,593 493.515,594 7.014,595 4790.62,596 1,597 1,599 1,600 160,601 1.224,602 4.116,603 0.158,604 0.004,605 0.056,606 0.034,607 0.048,608 0.018,609 0.015,610 0.012,611 0.001,612 0.003,613 0.349,614 0.83,615 1,616 0.584,617 77.604,619 0.03,620 0.019,621 0.03,622 -0.025,623 0.028,624 0.012,625 -0.185,626 -0.093,627 -0.182,628 -0.041,629 -0.157,630 0.105,631 -0.142,632 -0.157,633 -0.155,634 0.064,635 -0.185,636 -0.042,637 -0.059,638 0.02,639 -0.05,640 -0.029,641 -0.014,642 -0.036,643 0.086,644 0.241,645 0.112,646 0.023,647 0.197,648 -0.332,649 -0.043,650 -0.237,651 -0.055,652 -0.269,653 -0.121,654 -0.236,655 0.092,656 -0.166,657 0.073,658 -0.2,659 -0.019,660 -0.056,661 0.053,662 -0.079,663 0.041,664 -0.052,665 -0.012,666 1.995,667 4.767,668 0.667,669 11.901,670 0.995,671 1.104,672 2.862,673 8.19,674 0.695,675 2.996,676 3.219,677 3.367,678 3.497,679 3.638,680 3.367,681 3.367,682 3.367,683 3.219,684 3.045,685 5.144,686 0.66,687 238.3,688 2.996,689 4.466,690 5.252,691 6.066,692 6.868,693 7.685,694 8.492,695 9.31,696 10.119,697 10.937,715 10,720 2,722 12,741 32,743 14,744 2,745 19,747 33,748 16,749 12,750 2,751 10,752 2,756 2,757 2,770 2,772 14,773 2,777 2,782 2,786 2,790 1,793 14,794 2,796 2,808 1,809 2,829 2,841 2,859 2,868 18,876 2,893 6.3,896 2,901 9.333,902 5.667,903 4.111,904 1.868,907 2.005,908 1.343,909 0.962,910 4.034,911 7.854,912 3.332,913 3.829,914 4.27,915 4.684,916 5.147,917 4.829,918 5.015,919 5.265,920 5.154,921 5.03,922 0.833,923 22,924 6.676,926 2.776,927 0.026,929 7.926,931 12.558,933 9.906,936 2.426,937 43.667,938 0.001,941 164.795,942 116.47,945 50.29,948 116.47,949 215.085,952 5.069,953 94.762,954 60.557,955 6.371,957 164.795,959 164.795,960 116.47,961 50.29,964 164.795,965 50.29,968 5.069,969 111.401,972 164.795,973 50.29,974 116.47,977 164.795,978 21.707,979 94.762,981 50.29,982 164.795,983 50.29,984 116.47,986 0.559,987 0.311,988 0.158,989 0.086,990 10,991 4,992 0.152,993 5,995 1,996 3.15,997 115.997,999 12,1000 49.059,1005 12.254,1006 5.925,1007 3.658,1009 50.29,1010 18.658,1015 1.757,1018 331.555,1019 27,1024 23.535,1028 -0.657,1031 31.84,1032 35.325,1034 0.254,1035 0.485,1036 0.545,1037 0.641,1038 0.675,1039 0.675,1040 4.489,1041 1,1042 5.176,1043 2.136,1044 3.892,1045 4.511,1046 2.238,1047 5.844,1048 3.924,1049 5.651,1050 -0.159,1051 6.645,1052 2.136,1053 3.219,1054 3.951,1056 6.418,1057 3.311,1058 6.902,1059 -0.287,1060 8.213,1061 -0.394,1062 5.342,1063 6.548,1064 2.92,1065 9.472,1066 5.413,1067 8.186,1068 -1,1069 9.84,1070 -0.649,1071 5.485,1072 6.739,1074 10.865,1075 5.633,1076 9.496,1077 -1,1078 11.505,1079 -2.249,1080 7.05,1081 8.813,1082 3.631,1083 13.385,1084 7.173,1085 10.827,1086 -1,1087 13.195,1088 -2.26,1089 7.595,1090 9.371,1092 15.125,1093 7.798,1094 12.172,1095 -1,1096 14.902,1097 -2.347,1098 8.89,1099 11.179,1100 4.356,1101 17.43,1102 9.08,1103 2.821,1104 -1.414,1105 16.622,1106 -2.347,1107 9.649,1108 11.946,1110 19.341,1111 9.912,1112 2.517,1113 8.392,1114 18.352,1115 -3.894,1116 10.805,1117 13.594,1118 5.089,1119 21.549,1120 11.071,1121 2.286,1122 7.116,1123 20.088,1124 3.568,1125 11.682,1126 14.496,1128 23.552,1129 12.013,1130 1.552,1131 6.351,1132 21.83,1133 3.449,1134 12.769,1135 16.035,1136 5.825,1137 25.714,1138 13.115,1139 1.414,1140 3.426,1141 23.577,1142 3.167,1143 13.711,1144 17.033,1146 27.768,1147 14.114,1148 1,1149 3.018,1150 25.327,1151 2.141,1152 14.764,1153 18.496,1154 6.563,1155 29.91,1156 15.192,1157 1,1158 2.401,1159 27.081,1160 2.018,1161 15.744,1162 19.561,1164 31.993,1165 16.222,1166 2925,1167 4862,1168 12.712,1169 22.239,1170 27.68,1171 28.938,1172 27.809,1173 27.139,1174 27.18,1175 37.553,1176 5.789,1177 69.95,1178 27.646,1179 5.029,1180 5.904,1181 5.766,1182 4.859,1183 4.821,1184 6.568,1185 2.894,1186 14.617,1187 4.925,1188 6.723,1189 1.457,1190 1.523,1191 1.464,1192 1.428,1193 1.431,1194 1.976,1195 0.305,1196 3.682,1197 1.455,1198 3.963,1199 3.988,1200 3.895,1201 3.895,1202 7.496,1203 3.89,1204 3.886,1205 3.917,1206 3.811,1207 3.832,1208 7.352,1209 3.823,1210 3.591,1211 3.6,1212 3.535,1213 3.431,1214 4.757,1215 3.452,1216 3.163,1217 3.219,1218 3.024,1219 3.028,1220 4.734,1221 3.017,1222 2.854,1223 2.925,1224 2.71,1225 2.735,1226 3.784,1227 2.715,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.72,1233 2.715,1234 2.822,1235 2.858,1236 2.687,1237 2.673,1238 3.674,1239 2.678,1240 2.553,1241 2.608,1242 2.441,1243 2.335,1244 3.674,1245 2.338,1246 0.218,1247 0.205,1248 0.314,1249 0.203,1250 0.148,1251 4.139,1252 0.188,1253 3.904,1254 0.076,1255 5.964,1256 0.442,1257 3.859,1258 0.154,1259 2.821,1260 3.568,1261 1.447,1262 8.392,1263 2.925,1264 1.937,1265 1.912,1266 2.06,1267 2.027,1268 1.193,1269 2.038,1270 1.9,1271 1.872,1272 2.03,1273 1.978,1274 1.138,1275 1.997,1276 1.52,1277 1.505,1278 1.671,1279 1.704,1280 0.776,1281 1.688,1282 1.168,1283 1.112,1284 1.438,1285 1.352,1286 0.627,1287 1.382,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 0.785,1301 0.752,1302 1.001,1303 0.99,1304 0.045,1305 0.991,1306 0.529,1307 0.458,1308 0.9,1309 0.782,1311 0.819,1312 3.664,1314 4.905,1316 6.34,1318 7.85,1320 9.393,1328 0.374,1340 21.117,1341 40.697,1342 77.561,1343 87.271,1344 102.49,1345 108,1346 108,1347 34.848,1348 5.849,1349 34.14,1350 34.14,1351 12,1352 11.521,1353 3.907,1354 3.17,1355 31.104,1356 55,1357 46,1358 0.276,1359 134.034,1360 235.3,1361 318.804,1362 2208,1364 12.795,1365 0.711,1366 0.556,1367 12.795,1368 10.004,1369 8.754,1370 0.461,1371 0.31,1372 5.866,1373 8.62,1374 5.708,1375 4.765,1376 8.754,1377 5.894,1378 7.434,1379 0.31,1380 0.174,1381 7.434,1382 4.171,1383 5.831,1384 0.208,1385 0.097,1386 5.831,1387 2.726,1388 4.362,1389 0.136,1390 0.055,1391 4.362,1392 1.76,1393 3.423,1394 0.093,1395 0.031,1396 3.423,1397 1.151,1398 0.433,1399 53.679,1400 0.28,1401 18.453,1402 0.752,1403 86,1404 257.471,1405 90.207,1406 252.539,1407 330.28,1408 234,1409 95,1410 223.273,1411 99.097,1412 229.946,1413 325.76,1414 216,1415 4}
{0 CHEMBL1812851,1 1.531,2 8.5,3 4.498,4 20.228,5 85.88,6 12.378,7 0.571,8 3.535,9 3.611,10 3.555,11 3.294,12 4.713,13 3.226,14 4.022,15 4.12,16 4.027,17 3.694,18 5.183,19 3.584,20 4.291,21 4.43,22 4.449,23 3.805,24 5.68,25 3.683,26 4.266,27 4.426,28 4.421,29 3.727,30 5.574,31 3.577,32 4.118,33 4.255,34 4.591,35 3.607,36 5.525,37 3.454,38 3.928,39 4.034,40 3.888,41 3.367,42 5.414,43 3.275,44 3.85,45 3.992,46 3.793,47 3.347,48 5.112,49 3.18,50 3.66,51 3.834,52 3.337,53 3.183,54 4.691,55 2.986,56 0.018,57 0.309,58 0.726,59 2.446,60 6.027,61 3.137,62 0.057,63 0.503,64 12.082,65 4.971,66 14.393,67 5.728,68 0.324,69 0.692,70 13.174,71 7.27,72 65.186,73 7.77,74 0.287,75 0.664,76 37.792,77 8.694,78 42.327,79 8.52,80 0.258,81 0.551,82 73.92,83 8.321,84 39.329,85 7.067,86 0.236,87 0.461,88 15.877,89 5.104,90 47.306,91 4.158,92 0.212,93 0.427,94 27.703,95 5.636,96 39.133,97 5.084,98 0.119,99 0.366,100 26.257,101 4.73,102 18.548,103 5.005,104 17,105 28,106 0.286,107 0.476,108 0.532,109 0.621,110 0.653,111 0.653,112 3.057,113 1.129,114 -4.8,115 -4.72,116 -4.43,117 2,121 50,129 2,144 10,145 2,158 2,176 12,187 14,191 1,192 4,200 10,206 8,214 4,219 8,227 6,232 6,239 8,244 2,251 12,264 12,277 8,281 484,282 13.295,283 13.295,284 13.295,285 13.295,286 13.295,287 11.644,288 11.691,289 7.98,290 13.441,291 10.283,292 10.283,293 10.283,294 10.283,295 10.283,296 7.789,297 11.339,298 3.748,299 10.634,300 3.469,301 2.451,302 2.148,303 1.672,304 1.5,305 1.5,306 3.71,311 1,312 1,313 352,314 3.606,318 148.607,325 1.3,326 23.134,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 41.5,338 170,339 4.357,340 4.124,341 6.66,342 4.089,343 3.115,344 3.742,345 2.094,346 10.4,347 3.004,348 4.054,349 3.54,350 6.181,351 3.718,352 2.774,353 3.548,354 2.094,355 8.904,356 2.589,357 3.735,358 2.905,359 5.465,360 3.309,361 2.286,362 3.187,363 0.499,364 6.724,365 2.328,366 3.194,367 2.589,368 4.63,369 2.764,370 1.81,371 2.387,372 0.499,373 4.457,374 1.663,375 2.924,376 1.949,377 3.896,378 2.473,379 1.487,380 2.079,382 3.243,383 1.444,384 2.647,385 1.936,386 3.561,387 2.151,388 1.147,389 1.618,391 2.692,392 1.117,393 2.5,394 1.263,395 3.286,396 2,397 1,398 1.5,400 2.136,401 1,402 2.5,403 1.263,404 3.247,405 2,406 1,407 1.5,409 2.136,410 1,411 1.945,412 1,413 3.247,414 1.449,415 0.649,416 0.785,418 1.545,419 0.384,420 1.8,421 1,422 2.705,423 1.153,424 0.188,425 0.278,427 0.397,428 0.13,429 0.652,430 0.141,431 2.104,432 0.172,433 -0.75,434 -0.964,436 -1.609,437 -0.554,438 0.65,439 -0.122,440 1.667,441 0.172,442 -0.751,443 -0.964,445 -1.609,446 -0.564,447 0.5,448 -0.389,449 1.555,451 -1,452 -1.5,454 -2.347,455 -1,456 0.5,457 -0.565,458 1.555,460 -1,461 -1.5,463 -2.347,464 -1,465 0.229,466 -1,467 1.398,468 -0.23,469 -1.266,470 -1.65,472 -3.074,473 -1.121,474 11.333,475 0.567,476 0.477,477 0.024,478 26,479 1.3,480 15,481 0.75,482 11,483 0.55,484 17.856,485 0.893,486 19.267,487 0.602,488 14.797,489 0.74,490 4.428,491 0.221,492 5.181,493 0.259,494 0.294,496 0.265,501 0.474,502 0.876,503 0.47,504 0.625,505 0.527,506 0.73,507 0.676,508 1.115,509 0.908,510 0.986,511 0.689,512 1.029,513 0.75,514 1.039,515 0.827,516 0.901,517 0.895,518 0.914,519 1.068,520 1.021,521 1.367,522 1.199,523 1.069,524 0.998,525 1.691,526 0.927,527 1.487,528 1.205,529 1.59,530 0.97,531 2.28,532 0.955,533 1.086,534 0.929,535 2.395,536 0.93,537 1.679,538 0.863,539 1.528,540 1.155,541 1.587,542 1.082,543 0.814,544 0.992,545 1.392,546 1.257,547 0.621,548 1.247,549 3,550 0.016,551 2.667,552 1.625,553 1.022,554 0.694,555 0.408,556 0.188,557 0.049,558 0.023,559 3505,560 12189,561 1.966,562 37.5,564 12,572 1.619,573 1.818,574 3.117,575 -0.787,577 1,582 48.98,583 1.531,584 2.549,585 2.852,586 3.328,587 3.5,588 3.5,589 2.522,590 2.922,591 4.296,592 3.192,593 606.513,594 7.346,595 6185.22,597 1,599 1,600 160,601 1.485,602 4.237,603 0.143,604 0.004,605 0.095,606 0.054,607 0.039,608 0.029,609 0.02,610 0.012,611 0.004,612 0.003,613 0.404,614 0.5,615 1,616 0.68,617 88.297,619 0.026,621 0.01,622 -0.04,623 0.017,624 -0.044,625 -0.211,626 -0.085,627 -0.169,628 -0.093,629 -0.193,630 0.29,631 -0.078,632 0.061,633 0.018,634 0.181,635 0.011,636 0.091,637 -0.057,638 -0.051,639 -0.067,640 0.062,641 0.031,642 -0.188,643 0.031,644 0.047,645 0.018,646 -0.074,647 0.044,648 -0.445,649 0.024,650 -0.108,651 0.038,652 -0.333,653 -0.075,654 -0.366,655 0.098,656 -0.193,657 -0.024,658 -0.264,659 -0.093,660 -0.164,661 -0.043,662 -0.206,663 -0.201,664 -0.103,665 -0.219,666 2.123,667 5.232,668 0.6,669 13,670 1.009,671 1.094,672 3.575,673 12.78,674 0.779,675 3.091,676 3.367,677 3.611,678 3.714,679 3.807,680 3.611,681 3.611,682 3.497,683 3.367,684 3.219,685 5.058,686 0.724,687 396.08,688 3.091,689 4.595,690 5.425,691 6.267,692 7.112,693 7.961,694 8.811,695 9.663,696 10.515,697 11.368,715 10,720 2,722 12,741 32,743 14,744 2,745 21,746 2,747 33,748 16,749 12,750 2,751 10,752 2,755 2,756 2,757 2,770 2,772 14,773 2,777 2,782 2,786 2,790 1,793 12,794 2,796 4,797 2,808 1,809 2,829 2,841 2,859 2,863 2,868 20,880 2,892 2,893 6.3,896 2,901 11,902 5.619,903 4.556,904 1.797,907 1.916,908 1.319,909 0.955,910 5.273,911 7.922,912 3.401,913 3.912,914 4.425,915 4.814,916 5.238,917 5.02,918 5.247,919 5.332,920 5.265,921 5.211,922 0.833,923 30,924 7.435,926 3.159,927 0.026,929 7.942,931 13.863,933 11.104,936 2.442,937 48.833,941 141.253,942 111.401,943 91.908,945 50.29,948 203.309,949 191.543,953 94.762,954 60.557,955 6.371,957 141.253,958 91.908,959 141.253,960 111.401,961 50.29,963 91.908,964 141.253,965 50.29,969 111.401,971 91.908,972 141.253,973 50.29,974 203.309,977 141.253,978 16.638,979 94.762,980 91.908,981 50.29,982 141.253,983 50.29,984 203.309,986 0.575,987 0.349,988 0.172,989 0.084,990 12,991 6,992 0.152,993 5,995 1,996 3.171,997 141.296,999 12,1000 58.439,1005 15.148,1006 6.962,1007 3.661,1009 50.29,1010 18.349,1015 1.553,1018 394.852,1019 29,1024 24.464,1028 -0.913,1031 32.298,1032 35.008,1034 0.306,1035 0.51,1036 0.57,1037 0.666,1038 0.7,1039 0.7,1040 4.595,1041 1,1042 5.398,1043 2.136,1044 4.043,1045 4.595,1046 2.858,1047 6.184,1048 3.97,1049 5.776,1050 0.649,1051 6.959,1052 2.136,1053 3.611,1054 4.159,1055 2.221,1056 7.091,1057 3.434,1058 7.053,1059 0.188,1060 8.633,1061 1.545,1062 5.609,1063 6.656,1064 4.013,1065 10.211,1066 5.483,1067 8.369,1068 -0.75,1069 10.372,1070 0.397,1071 6.043,1072 7.012,1073 4.047,1074 11.932,1075 5.791,1076 9.717,1077 -0.751,1078 12.151,1079 -1.609,1080 7.501,1081 8.974,1082 5.34,1083 14.577,1084 7.292,1085 11.089,1086 -1,1087 13.956,1088 -1.609,1089 8.309,1090 9.698,1091 5.679,1092 16.611,1093 7.993,1094 12.479,1095 -1,1096 15.78,1097 -2.347,1098 9.558,1099 11.41,1100 6.734,1101 19.083,1102 9.257,1103 3.115,1104 -1.266,1105 17.616,1106 -2.347,1107 10.535,1108 12.336,1109 7.238,1110 21.26,1111 10.151,1112 2.774,1113 10.4,1114 19.461,1115 -3.074,1116 11.702,1117 13.906,1118 8.163,1119 23.658,1120 11.31,1121 2.286,1122 8.904,1123 21.313,1124 3.742,1125 12.755,1126 14.956,1127 8.761,1128 25.907,1129 12.301,1130 1.81,1131 6.724,1132 23.171,1133 3.548,1134 13.891,1135 16.436,1136 9.611,1137 28.27,1138 13.415,1139 1.487,1140 4.457,1141 25.032,1142 3.187,1143 14.98,1144 17.569,1145 10.265,1146 30.558,1147 14.455,1148 1.147,1149 3.243,1150 26.898,1151 2.387,1152 16.105,1153 18.99,1154 11.071,1155 32.906,1156 15.552,1157 1,1158 2.692,1159 28.766,1160 2.079,1161 17.212,1162 20.178,1163 11.759,1164 35.215,1165 16.617,1166 3553,1167 6714,1168 13.523,1169 24.943,1170 31.693,1171 33.159,1172 32.424,1173 31.163,1174 30.914,1175 41.248,1176 10.372,1177 85.269,1178 29.319,1179 5.259,1180 6.124,1181 6.462,1182 5.089,1183 5.115,1184 6.742,1185 3.721,1186 17.909,1187 5.004,1188 10.079,1189 1.509,1190 1.579,1191 1.544,1192 1.484,1193 1.472,1194 1.964,1195 0.494,1196 4.06,1197 1.396,1198 3.967,1199 3.986,1200 6.884,1201 3.919,1202 7.496,1203 3.904,1204 3.888,1205 3.916,1206 6.877,1207 3.845,1208 7.351,1209 3.831,1210 3.596,1211 3.595,1212 3.835,1213 3.485,1214 4.76,1215 3.48,1216 3.181,1217 3.205,1218 3.784,1219 3.165,1220 4.736,1221 3.094,1222 2.854,1223 2.925,1224 3.47,1225 2.735,1226 3.915,1227 2.715,1228 2.854,1229 2.925,1230 2.851,1231 2.735,1232 3.847,1233 2.715,1234 2.827,1235 2.856,1236 2.687,1237 2.688,1238 3.674,1239 2.69,1240 2.56,1241 2.602,1242 2.687,1243 2.448,1244 3.674,1245 2.392,1246 0.207,1247 0.196,1248 0.317,1249 0.195,1250 0.148,1251 4.357,1252 0.178,1253 4.124,1254 0.1,1255 6.66,1256 0.495,1257 4.089,1258 0.143,1259 3.115,1260 3.742,1261 2.094,1262 10.4,1263 3.004,1264 1.934,1265 1.914,1266 2.03,1267 2.009,1268 1.179,1269 2.023,1270 1.899,1271 1.873,1272 2.012,1273 1.97,1274 1.128,1275 1.99,1276 1.513,1277 1.51,1278 1.55,1279 1.674,1280 0.738,1281 1.652,1282 1.15,1283 1.124,1284 1.255,1285 1.262,1286 0.558,1287 1.297,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 0.784,1301 0.753,1302 1.001,1303 0.974,1304 0.038,1305 0.985,1306 0.516,1307 0.466,1308 0.792,1309 0.75,1311 0.779,1312 3.761,1314 5.043,1316 6.538,1318 8.113,1320 9.727,1321 6.603,1332 -1.222,1340 23.168,1341 48.98,1342 81.561,1343 91.271,1344 106.49,1345 112,1346 112,1347 47.22,1348 6.006,1349 34.14,1350 34.14,1351 12,1352 11.924,1353 3.907,1354 3.17,1355 36.342,1356 60,1357 54,1358 0.301,1359 157.862,1360 273.86,1361 376.944,1362 2521,1363 6.3,1364 14.535,1365 0.727,1366 0.684,1367 16.535,1368 13.673,1369 9.609,1370 0.458,1371 0.376,1372 6.155,1373 8.474,1374 5.895,1375 4.863,1376 10.764,1377 7.902,1378 8.233,1379 0.294,1380 0.218,1381 9.566,1382 6.106,1383 7.275,1384 0.202,1385 0.133,1386 9.269,1387 4.777,1388 5.136,1389 0.128,1390 0.071,1391 6.41,1392 2.858,1393 3.681,1394 0.084,1395 0.043,1396 4.614,1397 1.906,1398 0.461,1399 75.552,1400 0.272,1401 19.893,1402 0.853,1403 98,1404 306.78,1405 233.949,1406 369.691,1407 465.72,1408 342,1409 113,1410 265.873,1411 200.657,1412 291.559,1413 431.07,1414 274,1415 4}
{0 CHEMBL1812852,1 1.434,2 8.526,3 3.694,4 13.646,5 78.432,6 9.912,7 0.6,8 3.528,9 3.615,10 3.347,11 3.242,12 4.699,13 3.184,14 4.01,15 4.128,16 3.747,17 3.611,18 5.152,19 3.517,20 4.278,21 4.438,22 4.045,23 3.695,24 5.61,25 3.583,26 4.246,27 4.438,28 3.982,29 3.58,30 5.481,31 3.447,32 4.096,33 4.27,34 3.691,35 3.41,36 5.461,37 3.312,38 3.915,39 4.043,40 3.559,41 3.249,42 5.379,43 3.184,44 3.831,45 4.005,46 3.406,47 3.207,48 5.051,49 3.066,50 3.643,51 3.846,52 3.019,53 3.079,54 4.627,55 2.904,56 0.004,57 0.333,58 3.397,59 2.802,60 5.315,61 3.527,62 0.021,63 0.546,64 11.235,65 5.12,66 12.574,67 6.165,68 0.257,69 0.728,70 16.932,71 7.028,72 63.026,73 8.062,74 0.194,75 0.706,76 27.859,77 7.662,78 40.891,79 8.422,80 0.171,81 0.588,82 30.525,83 6.725,84 39.021,85 6.846,86 0.185,87 0.482,88 13.917,89 4.701,90 46.474,91 4.356,92 0.164,93 0.455,94 18.779,95 4.939,96 37.493,97 5.115,98 0.084,99 0.391,100 16.211,101 4.219,102 17.775,103 5.01,104 10,105 26,106 0.268,107 0.483,108 0.579,109 0.703,110 0.782,111 0.817,112 3.009,113 1.035,114 -4.45,115 -4.38,116 -4.13,117 1,121 50,123 1,129 1,144 10,145 2,158 2,176 13,180 1,187 15,191 1,192 4,200 10,206 7,214 5,219 8,227 5,232 6,239 8,244 2,251 11,264 11,277 8,281 437,282 12.742,283 12.742,284 12.742,285 12.742,286 12.742,287 11.043,288 11.468,289 7.793,290 12.786,291 9.842,292 9.842,293 9.842,294 9.842,295 9.842,296 7.318,297 12.182,298 3.708,299 9.955,300 3.566,301 2.412,302 1.898,303 1.235,304 0.813,305 0.625,306 3.665,310 1,311 1,312 1,313 337,314 3.317,318 139.661,325 1.341,326 21.088,328 1,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 39.75,338 162,339 4.281,340 4.04,341 6.496,342 4.007,343 3.024,344 3.682,345 2.094,346 9.872,347 2.969,348 3.944,349 3.316,350 5.664,351 3.583,352 2.587,353 3.473,354 1.447,355 7.579,356 2.551,357 3.735,358 2.732,359 5.269,360 3.308,361 2.286,362 3.178,363 0.499,364 6.503,365 2.327,366 3.101,367 2.543,368 4.373,369 2.679,370 1.706,371 2.274,373 4.015,374 1.62,375 2.881,376 1.943,377 3.663,378 2.434,379 1.432,380 2.034,382 3.071,383 1.428,384 2.624,385 1.561,386 3.505,387 2.121,388 1.103,389 1.552,391 2.611,392 1.093,393 2.5,394 1.263,395 3.247,396 2,397 1,398 1.5,400 2.136,401 1,402 2.5,403 1,404 3.247,405 2,406 1,407 1.5,409 2.136,410 1,411 1.866,412 1,413 3.028,414 1.299,415 0.403,416 0.533,418 0.921,419 0.268,420 1.177,421 0.608,422 2.398,423 0.81,424 -0.24,425 -0.326,427 -0.557,428 -0.247,429 0.651,430 0.018,431 1.839,432 0.172,433 -0.75,434 -0.964,436 -1.609,437 -0.559,438 0.5,439 -0.362,440 1.555,441 0.041,442 -1,443 -1.417,445 -2.254,446 -1,447 0.5,448 -0.564,449 1.555,451 -1,452 -1.5,454 -2.347,455 -1,456 0.495,457 -1,458 1.435,460 -1,461 -1.5,463 -2.347,464 -1.034,465 0.116,466 -1,467 1.254,468 -0.279,469 -1.298,470 -1.675,472 -3.25,473 -1.122,474 10,475 0.526,476 0.404,477 0.021,478 25.5,479 1.342,480 15,481 0.789,482 10.5,483 0.553,484 13.81,485 0.727,486 18.8,487 0.588,488 15.588,489 0.82,490 4.843,491 0.255,492 4.338,493 0.228,494 0.2,496 0.25,501 0.47,502 0.907,503 0.481,504 0.735,505 0.515,506 0.804,507 0.627,508 1.129,509 0.882,510 1.033,511 0.66,512 1.054,513 0.846,514 1.071,515 0.826,516 0.969,517 0.953,518 1.009,519 1.108,520 1.021,521 1.291,522 1.112,523 1.109,524 0.985,525 1.679,526 0.924,527 1.66,528 1.178,529 1.565,530 0.926,531 2.341,532 0.983,533 1.069,534 0.937,535 2.388,536 0.95,537 1.623,538 0.87,539 1.449,540 1.036,541 1.562,542 1.019,543 0.694,544 0.95,545 1.314,546 1.119,547 0.587,548 1.131,549 3,550 0.016,551 2,552 1.25,553 0.902,554 0.521,555 0.327,556 0.165,557 0.029,558 0.023,559 3208,560 9868,561 1.995,562 40.6,564 11,568 2,572 1.602,573 1.869,574 3.119,575 -0.828,577 1,579 1,582 45.894,583 1.434,584 2.588,585 3.102,586 3.765,587 4.188,588 4.375,589 2.524,590 3.827,591 4.222,592 3.21,593 548.83,594 7.184,595 5460.2,596 1,597 1,598 1,599 1,600 160,601 1.384,602 4.178,603 0.15,604 0.004,605 0.077,606 0.048,607 0.041,608 0.025,609 0.018,610 0.012,611 0.003,612 0.003,613 0.38,614 0.5,615 1,616 0.644,617 82.91,619 0.028,620 0.001,621 0.017,622 -0.033,623 0.022,624 -0.014,625 -0.195,626 -0.058,627 -0.16,628 -0.066,629 -0.168,630 0.209,631 -0.109,632 0.067,633 -0.037,634 0.123,635 -0.076,636 0.041,637 -0.054,638 0.015,639 -0.033,640 0.021,641 0.023,642 -0.156,643 0.044,644 -0.149,645 -0.043,646 -0.036,647 0.066,648 -0.385,649 -0.008,650 -0.081,651 0.018,652 -0.3,653 -0.088,654 -0.294,655 0.099,656 -0.124,657 0.042,658 -0.229,659 -0.043,660 -0.105,661 0.01,662 -0.139,663 -0.083,664 -0.075,665 -0.107,666 2.074,667 5.051,668 0.632,669 12.526,670 1.002,671 1.099,672 3.224,673 10.397,674 0.737,675 3.045,676 3.296,677 3.497,678 3.611,679 3.714,680 3.497,681 3.497,682 3.434,683 3.296,684 3.135,685 5.097,686 0.692,687 317.19,688 3.045,689 4.533,690 5.342,691 6.172,692 6.997,693 7.832,694 8.662,695 9.499,696 10.332,697 11.17,715 10,720 2,722 12,741 32,743 14,744 2,745 20,746 1,747 33,748 16,749 12,750 2,751 10,752 2,755 1,756 2,757 2,770 2,772 14,773 2,777 2,782 2,786 2,789 1,790 1,793 13,794 2,796 3,797 1,808 1,809 2,829 2,841 2,859 2,863 1,868 19,876 1,880 1,892 1,893 6.3,896 2,901 10.167,902 5.643,903 4.333,904 1.832,907 1.959,908 1.33,909 0.958,910 4.645,911 7.889,912 3.367,913 3.871,914 4.35,915 4.751,916 5.191,917 4.929,918 5.138,919 5.299,920 5.211,921 5.124,922 0.833,923 26,924 7.055,926 2.966,927 0.026,929 7.934,931 13.211,933 10.505,936 2.434,937 46.25,938 0.001,941 153.024,942 113.935,943 45.954,945 50.29,948 159.889,949 203.314,952 2.535,953 94.762,954 60.557,955 6.371,957 153.024,958 45.954,959 153.024,960 113.935,961 50.29,963 45.954,964 153.024,965 50.29,968 2.535,969 111.401,971 45.954,972 153.024,973 50.29,974 159.889,977 153.024,978 19.173,979 94.762,980 45.954,981 50.29,982 153.024,983 50.29,984 159.889,986 0.567,987 0.331,988 0.166,989 0.084,990 11,991 5,992 0.152,993 5,995 1,996 3.16,997 128.422,999 12,1000 72.711,1005 13.699,1006 6.443,1007 3.617,1009 50.29,1010 18.504,1015 1.655,1018 363.203,1019 28,1024 23.999,1028 -0.785,1031 32.069,1032 35.167,1034 0.287,1035 0.518,1036 0.62,1037 0.753,1038 0.838,1039 0.875,1040 4.543,1041 1,1042 5.293,1043 2.136,1044 3.97,1045 4.554,1046 2.595,1047 6.028,1048 3.947,1049 5.715,1050 0.403,1051 6.815,1052 2.136,1053 3.434,1054 4.06,1055 1.63,1056 6.81,1057 3.374,1058 6.981,1059 -0.24,1060 8.445,1061 0.921,1062 5.485,1063 6.603,1064 3.609,1065 9.907,1066 5.448,1067 8.281,1068 -0.75,1069 10.141,1070 -0.557,1071 5.802,1072 6.885,1073 3.371,1074 11.532,1075 5.715,1076 9.613,1077 -1,1078 11.879,1079 -1.609,1080 7.3,1081 8.897,1082 4.813,1083 14.14,1084 7.234,1085 10.967,1086 -1,1087 13.646,1088 -2.254,1089 8.015,1090 9.548,1091 4.99,1092 16.106,1093 7.9,1094 12.337,1095 -1,1096 15.434,1097 -2.347,1098 9.278,1099 11.301,1100 6.13,1101 18.536,1102 9.172,1103 3.024,1104 -1.298,1105 17.237,1106 -2.347,1107 10.186,1108 12.16,1109 6.545,1110 20.662,1111 10.039,1112 2.587,1113 9.872,1114 19.051,1115 -3.25,1116 11.348,1117 13.761,1118 7.515,1119 23.017,1120 11.197,1121 2.286,1122 7.579,1123 20.874,1124 3.682,1125 12.351,1126 14.751,1127 8.068,1128 25.222,1129 12.166,1130 1.706,1131 6.503,1132 22.705,1133 3.473,1134 13.471,1135 16.254,1136 8.94,1137 27.543,1138 13.275,1139 1.432,1140 4.015,1141 24.541,1142 3.178,1143 14.521,1144 17.333,1145 9.572,1146 29.788,1147 14.297,1148 1.103,1149 3.071,1150 26.383,1151 2.274,1152 15.625,1153 18.769,1154 10.389,1155 32.093,1156 15.386,1157 1,1158 2.611,1159 28.228,1160 2.034,1161 16.699,1162 19.911,1163 11.066,1164 34.359,1165 16.436,1166 3230,1167 5749,1168 13.118,1169 23.591,1170 29.664,1171 31.011,1172 30.183,1173 29.133,1174 29.082,1175 39.451,1176 8.081,1177 77.684,1178 28.513,1179 5.177,1180 6.04,1181 6.298,1182 5.007,1183 5.024,1184 6.682,1185 3.721,1186 16.967,1187 4.969,1188 8.473,1189 1.483,1190 1.551,1191 1.509,1192 1.457,1193 1.454,1194 1.973,1195 0.404,1196 3.884,1197 1.426,1198 3.965,1199 3.987,1200 6.88,1201 3.908,1202 7.496,1203 3.898,1204 3.887,1205 3.916,1206 3.87,1207 3.838,1208 7.351,1209 3.827,1210 3.594,1211 3.598,1212 3.793,1213 3.462,1214 4.758,1215 3.467,1216 3.172,1217 3.212,1218 3.508,1219 3.094,1220 4.735,1221 3.055,1222 2.854,1223 2.925,1224 2.939,1225 2.735,1226 3.89,1227 2.715,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.743,1233 2.715,1234 2.824,1235 2.857,1236 2.687,1237 2.679,1238 3.674,1239 2.684,1240 2.557,1241 2.605,1242 2.684,1243 2.419,1244 3.674,1245 2.371,1246 0.214,1247 0.202,1248 0.325,1249 0.2,1250 0.151,1251 4.281,1252 0.184,1253 4.04,1254 0.105,1255 6.496,1256 0.494,1257 4.007,1258 0.148,1259 3.024,1260 3.682,1261 2.094,1262 9.872,1263 2.969,1264 1.935,1265 1.913,1266 2.05,1267 2.019,1268 1.187,1269 2.031,1270 1.899,1271 1.872,1272 2.017,1273 1.973,1274 1.132,1275 1.993,1276 1.517,1277 1.507,1278 1.63,1279 1.691,1280 0.761,1281 1.672,1282 1.159,1283 1.118,1284 1.326,1285 1.307,1286 0.589,1287 1.339,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 0.784,1301 0.752,1302 1.001,1303 0.981,1304 0.043,1305 0.988,1306 0.523,1307 0.462,1308 0.865,1309 0.77,1311 0.804,1312 3.714,1314 4.977,1316 6.444,1318 7.991,1320 9.574,1321 3.295,1328 0.147,1332 -0.565,1340 22.142,1341 45.894,1342 82.807,1343 99.271,1344 120.49,1345 134,1346 140,1347 40.816,1348 5.93,1349 34.14,1350 34.14,1351 12,1352 11.738,1353 3.907,1354 3.17,1355 33.676,1356 57,1357 52,1358 0.289,1359 145.948,1360 254.58,1361 347.874,1362 2362,1363 3.1,1364 13.665,1365 0.719,1366 0.623,1367 14.665,1368 11.838,1369 9.182,1370 0.459,1371 0.345,1372 6.01,1373 8.547,1374 5.801,1375 4.814,1376 9.759,1377 6.898,1378 7.833,1379 0.301,1380 0.198,1381 8.5,1382 5.139,1383 6.55,1384 0.205,1385 0.117,1386 7.547,1387 3.749,1388 4.771,1389 0.133,1390 0.065,1391 5.433,1392 2.344,1393 3.505,1394 0.088,1395 0.035,1396 3.819,1397 1.383,1398 0.447,1399 64.616,1400 0.276,1401 19.179,1402 0.804,1403 92,1404 282.126,1405 162.078,1406 311.115,1407 398,1408 288,1409 104,1410 244.573,1411 149.877,1412 260.752,1413 378.41,1414 245,1415 4}
{0 CHEMBL1812853,1 1.352,2 4,3 0.826,4 0.682,5 30.795,6 6.342,8 2.894,9 3.02,10 2.252,11 2.372,12 4.027,13 2.309,14 3.421,15 3.648,16 2.448,17 2.588,18 4.485,19 2.493,20 3.587,21 3.822,22 2.524,23 2.507,24 5.103,25 2.45,26 3.317,27 3.469,28 2.032,29 2.246,30 4.796,31 2.191,32 3.112,33 3.356,34 1.265,35 2.005,36 4.22,37 1.799,38 2.85,39 3.248,40 0.463,41 1.614,42 3.219,43 1.228,44 2.195,45 2.648,46 0.062,47 0.835,48 2.303,49 0.485,56 0.005,57 0.211,58 3.968,59 1.801,60 4.764,61 2.413,62 0.04,63 0.288,64 6.919,65 2.467,66 16.857,67 3.577,68 0.239,69 0.274,70 8.721,71 2.281,72 61.787,73 3.419,74 0.206,75 0.203,76 6.87,77 1.612,78 50.018,79 2.29,80 0.139,81 0.163,82 5.248,83 1.398,84 33.583,85 2.124,86 0.048,87 0.115,88 3.623,89 1.074,90 10.385,91 1.831,92 0.035,93 0.043,94 1.774,95 0.415,96 7.411,97 0.787,104 24,105 8,106 0.318,107 0.443,108 0.57,109 0.57,110 0.57,111 0.487,112 2.253,113 1.191,114 -1.68,115 -1.75,116 -1.78,121 33.3,122 2,123 2,158 2,176 2,180 2,191 1,192 4,200 1,206 2,214 2,227 1,281 40,282 5.069,283 5.069,284 5.069,285 5.069,286 5.069,287 4.822,288 6.545,289 2.983,290 5.009,291 3.256,292 3.256,293 3.256,294 3.256,295 3.256,296 2.693,297 4.628,298 1.2,299 3.116,300 2.818,301 2.29,302 1.751,303 1.751,304 1.751,305 2.103,306 2.74,312 1,313 52,314 2.828,325 0.5,326 13.573,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 18,338 32,339 4.022,340 3.87,341 5.85,342 3.743,343 2.686,344 3.323,345 1.277,346 7.781,347 2.828,348 2.802,349 2.925,350 3.879,351 2.469,352 1.414,353 1.732,354 1.277,355 3,356 1.483,357 1.491,358 1.012,359 2.449,360 1.361,361 0.335,362 0.358,364 0.413,365 0.342,366 1.445,367 0.986,368 1.653,369 1.1,375 0.226,376 -0.353,377 1.256,378 -0.158,379 -1.271,380 -1.681,382 -2.735,383 -1.41,384 -0.247,385 -0.832,386 0.468,387 -0.368,388 -1.414,389 -1.732,390 -1.277,391 -3,392 -1.483,393 -0.739,394 -1.449,395 0.445,396 -0.745,397 -1.749,398 -2,399 -1.277,400 -5.459,401 -1.76,474 3.667,475 0.458,476 0.195,477 0.024,478 7,479 0.875,480 3,481 0.375,482 4,483 0.5,484 5.179,485 0.647,486 10.133,487 0.563,488 3.886,489 0.486,490 1.294,491 0.162,492 2.425,493 0.303,494 0.455,496 0.273,501 0.501,502 1.5,503 0.936,504 1.494,505 0.532,506 1.337,507 0.544,508 1.276,509 0.75,510 1.253,511 0.584,512 1.074,513 1.066,514 0.877,515 0.818,516 0.851,517 1.07,518 0.786,519 2.478,520 1.063,521 1.862,522 1.071,523 2.422,524 1.293,525 1.512,526 1.009,527 1.56,528 1.056,529 1.48,530 1.288,531 0.039,532 0.706,533 0.517,534 0.733,535 0.047,536 0.736,549 2,551 1.333,552 0.375,553 0.08,559 167,560 597,561 1.565,562 55.6,563 6,568 4,572 1.304,573 1.412,574 2.179,575 -0.71,582 24.33,583 1.352,584 1.88,585 2.419,586 2.419,587 2.419,588 2.067,589 1.5,590 2,591 2.967,592 2.106,593 58.954,594 4.651,595 316.299,600 75.059,601 1.5,602 2.842,603 0.286,605 0.167,606 0.047,607 0.02,613 0.519,614 1,615 1,616 1.5,617 22.478,619 -0.118,620 -0.051,621 -0.117,622 -0.023,623 -0.099,624 0.071,625 -0.202,626 0.137,627 -0.17,628 0.029,629 -0.021,630 0.145,631 0.014,632 0.193,633 0.032,634 0.144,635 0.112,636 -0.609,637 -0.121,638 -0.727,639 -0.178,640 -0.527,641 -0.444,642 -0.355,643 -0.139,644 -0.601,645 -0.196,646 -0.319,647 -0.425,648 0.194,649 -0.001,650 0.241,651 0.021,652 0.155,653 0.128,654 0.281,655 0.496,656 0.771,657 0.559,658 0.245,659 0.753,666 1.924,667 3.393,669 3,670 1.004,671 1.139,672 0.454,673 0.206,674 0.595,675 2.079,676 2.197,677 2.197,678 1.609,679 0.693,685 2.673,686 0.559,687 114.16,688 2.079,689 3.434,690 4.143,691 4.875,692 5.609,693 6.347,694 7.086,695 7.825,696 8.565,697 9.304,741 18,743 2,745 7,747 17,748 6,752 2,763 2,770 2,772 2,773 4,777 2,782 2,786 2,793 10,794 2,796 2,809 2,841 2,864 2,868 8,876 2,893 11.1,896 2,901 5.667,902 3.833,903 2.111,904 1.396,907 0.34,908 1.094,909 0.814,910 3.092,911 3.951,912 2.303,913 2.565,914 2.773,915 1.946,916 0.693,922 0.667,923 8,924 2.949,925 0.064,926 1.08,927 -0.144,929 8.542,931 5.352,932 0.028,933 3.605,934 -0.081,935 0.006,936 3.042,937 24.333,938 0.028,941 117.711,942 32.986,945 50.29,948 32.986,949 168.001,951 17.65,952 5.069,954 60.557,957 117.711,959 117.711,960 32.986,961 50.29,964 117.711,965 50.29,968 22.719,969 10.267,972 117.711,973 50.29,974 32.986,977 117.711,978 15.336,979 17.65,981 50.29,982 117.711,983 50.29,984 32.986,986 0.542,987 0.332,988 0.096,989 0.015,990 2,991 2,992 0.176,993 3,996 1.768,997 28.164,1000 16,1005 7.351,1006 3.365,1007 2.305,1009 50.29,1018 200.987,1019 9,1024 20.787,1028 -0.514,1031 18.073,1032 20.495,1034 0.324,1035 0.451,1036 0.58,1037 0.58,1038 0.58,1039 0.496,1040 3.401,1042 4.111,1043 -5.459,1044 2.833,1045 3.219,1046 2.019,1047 4.762,1048 2.923,1049 4.543,1051 5.638,1053 2.565,1054 3.219,1056 5.666,1057 2.734,1058 5.811,1060 7.276,1062 4.29,1063 5.106,1064 2.456,1065 8.471,1066 4.48,1067 7.123,1069 8.967,1071 4.796,1072 5.889,1074 10.066,1075 5.071,1076 8.464,1078 10.686,1080 6.052,1081 7.306,1082 2.912,1083 12.43,1084 6.348,1085 9.821,1087 12.423,1089 6.86,1090 8.369,1092 14.274,1093 7.233,1094 11.189,1096 14.17,1098 7.949,1099 9.64,1100 3.38,1101 16.472,1102 8.354,1103 2.686,1105 15.923,1107 8.869,1108 10.796,1110 18.423,1111 9.34,1112 1.414,1113 7.781,1114 17.682,1116 9.896,1117 12.02,1118 3.857,1119 20.546,1120 10.408,1121 0.335,1122 3,1123 19.443,1124 3.323,1125 10.857,1126 13.207,1128 22.548,1129 11.429,1131 0.413,1132 21.205,1133 1.732,1134 11.861,1135 14.415,1136 4.338,1137 24.634,1138 12.479,1139 -1.271,1141 22.969,1142 0.358,1143 12.839,1144 15.611,1146 26.662,1147 13.512,1148 -1.414,1149 -2.735,1150 24.734,1152 13.833,1153 16.815,1154 4.823,1155 28.731,1156 14.555,1157 -1.749,1158 -3,1159 26.5,1160 -1.681,1161 14.817,1162 18.014,1164 30.77,1165 15.592,1166 247,1167 504,1168 3.584,1169 10.716,1170 9.235,1171 10.547,1172 10.643,1173 8.887,1174 8.869,1175 10.827,1176 5.11,1177 22.388,1178 9.306,1179 4.761,1180 5.319,1181 5.406,1182 4.488,1183 4.435,1184 5.323,1185 2.555,1186 13.24,1187 4.588,1188 5.165,1189 1.319,1190 1.507,1191 1.52,1192 1.27,1193 1.267,1194 1.547,1195 0.73,1196 3.198,1197 1.329,1198 3.77,1199 3.796,1200 3.691,1201 3.604,1202 7.496,1203 3.617,1204 3.427,1205 3.51,1206 3.214,1207 3.254,1208 7.352,1209 3.23,1210 3.015,1211 3.075,1212 2.795,1213 2.746,1214 4.021,1215 2.75,1216 2.55,1217 2.624,1218 2.377,1219 2.198,1220 3.949,1221 2.206,1222 2.133,1223 2.271,1224 1.698,1225 1.747,1226 2.924,1227 1.714,1228 2.022,1229 2.051,1230 1.68,1231 1.483,1232 2.671,1233 1.557,1234 0.941,1235 1.207,1236 0.112,1237 0.38,1238 1.814,1239 0.262,1240 0.941,1241 1.207,1242 0.083,1243 0.38,1244 0.999,1245 0.262,1246 0.575,1247 0.553,1248 0.836,1249 0.535,1250 0.384,1251 4.022,1252 0.475,1253 3.87,1254 0.182,1255 5.85,1256 1.112,1257 3.743,1258 0.404,1259 2.686,1260 3.323,1261 1.277,1262 7.781,1263 2.828,1264 1.707,1265 1.675,1266 1.922,1267 1.9,1268 1.084,1269 1.902,1270 1.453,1271 1.372,1272 1.789,1273 1.67,1274 0.952,1275 1.715,1276 0.956,1277 0.895,1278 1.257,1279 1.266,1280 0.273,1281 1.263,1282 0.498,1283 0.394,1284 0.995,1285 0.865,1286 0.126,1287 0.904,1288 0.128,1290 0.597,1291 0.558,1293 0.592,1297 0.334,1299 0.209,1312 2.708,1314 3.85,1316 5.209,1318 6.642,1320 8.103,1322 3.381,1328 0.68,1340 10.064,1341 24.33,1342 33.839,1343 43.549,1344 43.549,1345 43.549,1346 37.209,1347 20.087,1348 3.611,1349 34.14,1350 34.14,1352 9.952,1353 1.585,1354 1.585,1355 18.275,1356 12,1357 10,1358 0.897,1359 70.462,1360 124.66,1361 163.688,1362 68,1364 6.569,1365 0.821,1366 0.654,1367 6.569,1368 5.231,1369 3.719,1370 0.531,1371 0.397,1372 2.752,1373 3.585,1374 2.614,1375 2.248,1376 3.719,1377 2.78,1378 2.771,1379 0.346,1380 0.194,1381 2.771,1382 1.553,1383 2.259,1384 0.282,1385 0.119,1386 2.259,1387 0.953,1388 0.805,1389 0.201,1390 0.099,1391 0.805,1392 0.394,1393 0.167,1394 0.167,1395 0.125,1396 0.167,1397 0.125,1398 1.228,1399 23.467,1400 0.528,1401 7.881,1402 2.887,1403 30,1404 137.471,1405 34.207,1406 125.896,1407 151.38,1408 114,1409 31,1410 91.273,1411 35.097,1412 89.613,1413 125.6,1414 84,1415 4}
{0 CHEMBL1812854,1 1.281,2 5.4,3 1.738,4 3.022,5 39.997,6 5.926,8 3.171,9 3.308,10 2.472,11 2.656,12 4.199,13 2.574,14 3.735,15 3.97,16 2.657,17 2.925,18 4.673,19 2.794,20 3.966,21 4.235,22 2.722,23 2.916,24 5.216,25 2.788,26 3.787,27 4.024,28 2.525,29 2.726,30 5.023,31 2.631,32 3.58,33 3.779,34 2.196,35 2.53,36 4.892,37 2.423,38 3.427,39 3.697,40 1.591,41 2.354,42 4.382,43 2.125,44 3.243,45 3.622,46 1.083,47 2.095,48 3.638,49 1.748,50 2.85,51 3.248,52 0.463,53 1.614,54 3.219,55 1.228,56 0.01,57 0.288,58 5.549,59 2.481,60 3.324,61 3.389,62 0.043,63 0.413,64 9.477,65 3.572,66 11.531,67 5.165,68 0.249,69 0.427,70 12.143,71 3.65,72 60.417,73 5.467,74 0.183,75 0.346,76 10.386,77 2.876,78 43.204,79 4.268,80 0.192,81 0.279,82 8.626,83 2.295,84 44.833,85 3.364,86 0.129,87 0.24,88 6.816,89 2.08,90 29.574,91 3.136,92 0.046,93 0.191,94 5.011,95 1.753,96 10.188,97 2.772,98 0.034,99 0.115,100 3.255,101 1.061,102 7.463,103 1.732,104 28,105 10,106 0.276,107 0.419,108 0.615,109 0.615,110 0.615,111 0.615,112 2.433,113 1.26,114 -2.37,115 -2.4,116 -2.36,121 33.3,122 2,123 4,158 2,176 4,180 2,187 2,191 1,192 4,200 1,206 4,214 2,219 2,227 3,239 2,251 1,281 80,282 6.483,283 6.483,284 6.483,285 6.483,286 6.483,287 6.237,288 6.545,289 4.193,290 6.423,291 4.332,292 4.332,293 4.332,294 4.332,295 4.332,296 3.814,297 4.628,298 1.791,299 4.203,300 3.304,301 2.638,302 1.73,303 1.73,304 1.73,305 1.73,306 2.969,312 1,313 92,314 3.162,325 0.88,326 15.134,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 22,338 54,339 4.033,340 3.874,341 5.871,342 3.761,343 2.706,344 3.332,345 1.277,346 7.921,347 2.844,348 2.879,349 2.935,350 4.061,351 2.649,352 1.618,353 1.848,354 1.277,355 3.617,356 1.663,357 2.131,358 1.353,359 3.052,360 2.07,361 1.056,362 1.095,364 1.669,365 1.068,366 2,367 1.353,368 2.396,369 1.693,370 0.618,371 0.765,373 0.958,374 0.659,375 0.685,376 0.304,377 1.655,378 0.475,379 -0.56,380 -0.6,382 -0.831,383 -0.574,384 0.653,385 0.12,386 1.306,387 0.451,388 -0.618,389 -0.765,391 -0.958,392 -0.659,394 -0.845,395 1.197,396 -0.254,397 -1.35,398 -1.827,400 -3.071,401 -1.485,402 -0.532,403 -1.328,404 0.236,405 -0.593,406 -1.618,407 -1.848,408 -1.277,409 -3.617,410 -1.663,411 -0.849,412 -1.605,413 0.225,414 -0.851,415 -1.851,416 -2,417 -1.277,418 -5.688,419 -1.854,474 4.667,475 0.467,476 0.195,477 0.02,478 8,479 0.8,480 3,481 0.3,482 5,483 0.5,484 7.825,485 0.782,486 12.733,487 0.531,488 4.355,489 0.436,490 1.294,491 0.129,492 3.425,493 0.342,494 0.357,496 0.214,501 0.502,502 1.5,503 1.03,504 1.495,505 0.516,506 1.374,507 0.529,508 1.335,509 0.891,510 1.322,511 0.55,512 1.189,513 0.92,514 0.913,515 0.829,516 0.9,517 0.957,518 0.854,519 1.749,520 0.926,521 1.162,522 0.906,523 1.746,524 0.926,525 2.337,526 1.045,527 1.653,528 1.052,529 2.283,530 1.209,531 1.381,532 1.004,533 1.393,534 1.038,535 1.349,536 1.197,537 0.055,538 0.797,539 0.615,540 0.819,541 0.037,542 0.818,543 0.05,544 0.717,545 0.554,546 0.737,547 0.06,548 0.737,549 2,551 1.333,552 0.625,553 0.24,554 0.056,555 0.041,559 369,560 983,561 1.644,562 58.3,563 10,568 4,572 1.389,573 1.5,574 2.542,575 -0.768,582 30.736,583 1.281,584 1.947,585 2.855,586 2.855,587 2.855,588 2.855,589 1.922,590 2.322,591 3.286,592 2.546,593 114.556,594 5.297,595 715.102,600 110.039,601 1.522,602 3.197,603 0.222,605 0.133,606 0.063,607 0.03,608 0.011,609 0.02,613 0.48,614 0.83,615 1,616 1.922,617 32.708,619 -0.087,620 -0.046,621 -0.087,622 -0.008,623 -0.076,624 0.062,625 -0.216,626 0.035,627 -0.196,628 0.034,629 -0.098,630 0.175,631 0.009,632 0.154,633 0.02,634 0.137,635 0.076,636 -0.223,638 -0.09,639 0.001,640 -0.203,641 -0.018,642 -0.451,643 -0.088,644 -0.507,645 -0.128,646 -0.363,647 -0.305,648 -0.266,649 -0.097,650 -0.428,651 -0.137,652 -0.227,653 -0.292,654 0.133,655 -0.001,656 0.132,657 0.011,658 0.12,659 0.064,660 0.152,661 -0.001,662 0.176,663 0.016,664 0.106,665 0.091,666 1.871,667 3.783,669 4.8,670 0.993,671 1.139,672 1.141,673 1.301,674 0.593,675 2.303,676 2.398,677 2.398,678 2.197,679 1.792,680 1.099,681 0.693,685 3.376,686 0.547,687 142.22,688 2.303,689 3.664,690 4.369,691 5.118,692 5.855,693 6.611,694 7.358,695 8.115,696 8.866,697 9.622,741 24,743 2,745 9,747 23,748 8,752 2,763 2,770 4,772 2,773 6,777 2,782 2,786 2,793 14,794 2,796 2,809 2,841 2,864 2,868 10,876 4,893 8.3,896 2,901 6.667,902 4.833,903 2.611,904 1.896,907 0.292,908 1.073,909 0.832,910 4.825,911 4.317,912 2.485,913 2.708,914 2.89,915 2.565,916 2.079,917 1.099,918 0.693,922 0.75,923 10,924 3.721,925 0.02,926 1.383,927 -0.046,929 8.233,931 6.985,932 0.008,933 4.938,934 -0.024,935 0.002,936 2.733,937 27.333,938 0.019,941 164.795,942 38.055,945 50.29,948 38.055,949 215.085,951 17.65,952 10.138,954 60.557,957 164.795,959 164.795,960 38.055,961 50.29,964 164.795,965 50.29,968 27.789,969 10.267,972 164.795,973 50.29,974 38.055,977 164.795,978 20.405,979 17.65,981 50.29,982 164.795,983 50.29,984 38.055,986 0.52,987 0.297,988 0.135,989 0.052,990 2,991 2,992 0.217,993 5,996 2.066,997 40.008,1000 23.219,1005 9.351,1006 5.16,1007 3.925,1009 50.29,1018 253.141,1019 11,1024 21.567,1028 -0.409,1031 23.84,1032 27.325,1034 0.279,1035 0.425,1036 0.623,1037 0.623,1038 0.623,1039 0.623,1040 3.584,1041 -1.618,1042 4.29,1043 -3.071,1044 3.045,1045 3.367,1046 2.019,1047 4.92,1048 3.118,1049 4.682,1050 -1.851,1051 5.771,1052 -3.617,1053 2.565,1054 3.219,1056 5.666,1057 2.734,1058 5.919,1060 7.373,1061 -5.688,1062 4.443,1063 5.176,1064 2.456,1065 8.599,1066 4.607,1067 7.202,1069 9.041,1071 4.796,1072 5.889,1074 10.125,1075 5.071,1076 8.524,1078 10.746,1080 6.168,1081 7.348,1082 2.912,1083 12.564,1084 6.439,1085 9.87,1087 12.474,1089 6.889,1090 8.382,1092 14.381,1093 7.257,1094 11.231,1096 14.217,1098 8.045,1099 9.671,1100 3.38,1101 16.628,1102 8.426,1103 2.706,1105 15.968,1107 8.923,1108 10.818,1110 18.573,1111 9.384,1112 1.618,1113 7.921,1114 17.726,1116 9.988,1117 12.05,1118 3.857,1119 20.731,1120 10.478,1121 1.056,1122 3.617,1123 19.487,1124 3.332,1125 10.933,1126 13.235,1128 22.738,1129 11.489,1130 0.618,1131 1.669,1132 21.252,1133 1.848,1134 11.959,1135 14.448,1136 4.338,1137 24.853,1138 12.553,1139 -0.56,1140 0.958,1141 23.018,1142 1.095,1143 12.932,1144 15.646,1146 26.89,1147 13.585,1148 -0.618,1149 -0.831,1150 24.785,1151 0.765,1152 13.941,1153 16.853,1154 4.823,1155 28.982,1156 14.638,1157 -1.35,1158 -0.958,1159 26.553,1160 -0.6,1161 14.926,1162 18.054,1164 31.035,1165 15.678,1166 489,1167 850,1168 4.97,1169 14.239,1170 12.31,1171 13.555,1172 12.983,1173 11.99,1174 11.995,1175 14.08,1176 5.11,1177 28.33,1178 12.468,1179 4.883,1180 5.479,1181 5.645,1182 4.611,1183 4.557,1184 5.332,1185 2.555,1186 13.609,1187 4.698,1188 6.416,1189 1.368,1190 1.506,1191 1.443,1192 1.332,1193 1.333,1194 1.564,1195 0.568,1196 3.148,1197 1.385,1198 3.805,1199 3.837,1200 3.718,1201 3.652,1202 7.496,1203 3.659,1204 3.563,1205 3.64,1206 3.366,1207 3.415,1208 7.352,1209 3.392,1210 3.281,1211 3.336,1212 3.095,1213 3.064,1214 4.109,1215 3.064,1216 2.893,1217 2.987,1218 2.665,1219 2.644,1220 4.065,1221 2.625,1222 2.531,1223 2.632,1224 2.206,1225 2.215,1226 3.38,1227 2.198,1228 2.274,1229 2.34,1230 2.072,1231 1.849,1232 3.223,1233 1.875,1234 1.981,1235 2.151,1236 1.466,1237 1.588,1238 2.446,1239 1.532,1240 1.942,1241 2.027,1242 1.465,1243 1.444,1244 2.3,1245 1.471,1246 0.448,1247 0.43,1248 0.652,1249 0.418,1250 0.301,1251 4.033,1252 0.37,1253 3.874,1254 0.142,1255 5.871,1256 0.88,1257 3.761,1258 0.316,1259 2.706,1260 3.332,1261 1.277,1262 7.921,1263 2.844,1264 1.754,1265 1.717,1266 1.975,1267 1.933,1268 1.217,1269 1.943,1270 1.592,1271 1.519,1272 1.895,1273 1.784,1274 1.138,1275 1.826,1276 1.242,1277 1.186,1278 1.523,1279 1.499,1280 0.604,1281 1.507,1282 0.903,1283 0.803,1284 1.328,1285 1.193,1286 0.475,1287 1.242,1288 0.508,1289 0.409,1290 0.92,1291 0.871,1292 0.008,1293 0.892,1294 0.196,1295 0.075,1296 0.774,1297 0.611,1299 0.659,1300 0.023,1302 0.572,1303 0.46,1305 0.522,1309 0.32,1311 0.208,1312 2.944,1314 4.078,1316 5.407,1318 6.828,1320 8.291,1322 3.8,1328 2.375,1340 13.117,1341 30.736,1342 46.736,1343 68.529,1344 68.529,1345 68.529,1346 68.529,1347 32.38,1348 4.025,1349 34.14,1350 34.14,1352 10.257,1353 1.585,1354 1.585,1355 26.955,1356 19,1357 18,1358 0.765,1359 89.647,1360 159.26,1361 210.498,1362 135,1364 7.983,1365 0.798,1366 0.664,1367 7.983,1368 6.645,1369 4.719,1370 0.524,1371 0.42,1372 3.752,1373 4.585,1374 3.59,1375 3.105,1376 4.719,1377 3.78,1378 3.532,1379 0.353,1380 0.235,1381 3.532,1382 2.346,1383 2.459,1384 0.246,1385 0.127,1386 2.459,1387 1.265,1388 1.48,1389 0.185,1390 0.092,1391 1.48,1392 0.733,1393 0.652,1394 0.13,1395 0.068,1396 0.652,1397 0.341,1398 1.123,1399 29.467,1400 0.449,1401 10.341,1402 2.239,1403 38,1404 145.471,1405 42.207,1406 134.386,1407 162.98,1408 122,1409 39,1410 99.273,1411 43.097,1412 98.292,1413 138.12,1414 92,1415 4}
{0 CHEMBL1812855,1 1.231,2 6.833,3 2.651,4 7.027,5 49.199,6 5.676,8 3.388,9 3.531,10 2.652,11 2.877,12 4.345,13 2.783,14 3.974,15 4.213,16 2.829,17 3.177,18 4.832,19 3.025,20 4.24,21 4.526,22 2.887,23 3.206,24 5.34,25 3.04,26 4.107,27 4.373,28 2.722,29 3.067,30 5.145,31 2.92,32 3.96,33 4.213,34 2.628,35 2.911,36 5.1,37 2.786,38 3.789,39 4.015,40 2.337,41 2.751,42 4.98,43 2.611,44 3.666,45 3.951,46 1.836,47 2.612,48 4.525,49 2.371,50 3.524,51 3.893,52 1.463,53 2.418,54 3.912,55 2.089,56 0.021,57 0.365,58 7.098,59 3.162,60 2.991,61 4.362,62 0.061,63 0.537,64 11.997,65 4.678,66 8.994,67 6.747,68 0.269,69 0.581,70 15.389,71 5.017,72 57.361,73 7.467,74 0.195,75 0.5,76 13.68,77 4.246,78 38.192,79 6.301,80 0.185,81 0.423,82 11.979,83 3.556,84 38.673,85 5.277,86 0.19,87 0.356,88 10.254,89 2.978,90 41.241,91 4.391,92 0.128,93 0.316,94 8.338,95 2.762,96 26.241,97 4.127,98 0.049,99 0.268,100 6.444,101 2.433,102 9.185,103 3.723,104 32,105 12,106 0.248,107 0.378,108 0.59,109 0.644,110 0.644,111 0.644,112 2.589,113 1.304,114 -2.99,115 -2.99,116 -2.89,121 33.3,122 2,123 6,158 2,176 6,180 2,187 4,191 1,192 4,200 3,206 4,214 2,219 4,227 3,232 2,239 4,251 3,264 2,277 1,281 140,282 7.897,283 7.897,284 7.897,285 7.897,286 7.897,287 7.651,288 6.545,289 5.243,290 7.837,291 5.332,292 5.332,293 5.332,294 5.332,295 5.332,296 4.814,297 4.628,298 2.379,299 5.203,300 3.676,301 3.035,302 1.984,303 1.717,304 1.717,305 1.717,306 3.156,311 1,312 1,313 144,314 3.464,325 1.167,326 16.304,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 26,338 82,339 4.035,340 3.874,341 5.872,342 3.764,343 2.709,344 3.333,345 1.277,346 7.931,347 2.847,348 2.919,349 2.936,350 4.115,351 2.751,352 1.732,353 1.902,354 1.277,355 3.84,356 1.762,357 2.457,358 1.565,359 3.402,360 2.422,361 1.414,362 1.445,364 2.552,365 1.424,366 2.31,367 1.563,368 3,369 2.054,370 1,371 1.176,373 1.804,374 1.046,375 1.297,376 0.716,377 2.285,378 1.21,379 0.194,380 0.202,382 0.284,383 0.196,384 1.285,385 0.657,386 1.746,387 1.066,393 0.356,394 -0.239,395 1.307,396 0.057,397 -1,398 -1.088,400 -1.799,401 -1.038,402 0.169,403 -0.506,404 1,405 0.046,406 -1,407 -1.176,409 -1.804,410 -1.046,411 -0.242,412 -1.125,413 1,414 -0.35,415 -1.414,416 -1.892,418 -3.244,419 -1.526,420 -0.683,421 -1.571,422 0.139,423 -0.717,424 -1.732,425 -1.902,426 -1.277,427 -3.84,428 -1.762,429 -0.903,430 -1.711,431 0.134,432 -0.903,433 -1.903,434 -2,435 -1.277,436 -5.723,437 -1.904,474 5.667,475 0.472,476 0.195,477 0.016,478 9,479 0.75,480 3,481 0.25,482 6,483 0.5,484 10.698,485 0.892,486 15.333,487 0.511,488 4.748,489 0.396,490 1.294,491 0.108,492 4.425,493 0.369,494 0.294,496 0.176,501 0.51,502 1.5,503 1.098,504 1.496,505 0.51,506 1.397,507 0.527,508 1.37,509 0.986,510 1.36,511 0.533,512 1.254,513 0.852,514 0.933,515 0.846,516 0.924,517 0.879,518 0.889,519 1.514,520 0.943,521 1.086,522 0.933,523 1.555,524 0.945,525 1.767,526 0.94,527 1.141,528 0.923,529 1.767,530 0.938,531 2.252,532 1.036,533 1.529,534 1.041,535 2.204,536 1.162,537 1.311,538 1.002,539 1.303,540 1.029,541 1.278,542 1.15,543 0.071,544 0.844,545 0.678,546 0.863,547 0.043,548 0.861,549 2,551 1.333,552 0.625,553 0.4,554 0.167,555 0.041,556 0.031,557 0.025,559 699,560 1545,561 1.698,562 60,563 14,568 4,572 1.452,573 1.565,574 2.838,575 -0.807,579 1,582 36.929,583 1.231,584 1.872,585 2.923,586 3.19,587 3.19,588 3.19,589 2.252,590 2.252,591 3.547,592 2.891,593 190.824,594 5.819,595 1384.88,597 1,600 147.207,601 1.459,602 3.482,603 0.182,605 0.111,606 0.052,607 0.04,608 0.019,609 0.007,610 0.01,611 0.012,613 0.433,614 0.83,615 1,616 2.252,617 43.854,618 -0.001,619 -0.069,620 -0.041,621 -0.069,622 -0.001,623 -0.062,624 0.053,625 -0.223,626 -0.024,627 -0.209,628 0.036,629 -0.137,630 0.183,631 0.007,632 0.127,633 0.014,634 0.155,635 0.057,636 -0.141,638 -0.049,639 0.001,640 -0.167,641 -0.009,642 -0.179,644 -0.062,645 0.001,646 -0.154,647 -0.012,648 -0.366,649 -0.069,650 -0.389,651 -0.1,652 -0.276,653 -0.231,654 -0.222,655 -0.075,656 -0.336,657 -0.105,658 -0.181,659 -0.223,660 0.101,662 0.084,663 0.006,664 0.091,665 0.039,666 1.842,667 4.058,669 7.556,670 0.987,671 1.139,672 1.761,673 3.102,674 0.592,675 2.485,676 2.565,677 2.565,678 2.398,679 2.303,680 1.946,681 1.386,682 1.099,683 0.693,685 4.127,686 0.539,687 170.28,688 2.485,689 3.85,690 4.554,691 5.293,692 6.033,693 6.783,694 7.535,695 8.291,696 9.047,697 9.805,741 30,743 2,745 11,747 29,748 10,752 2,763 2,770 6,772 2,773 8,777 2,782 2,786 2,793 18,794 2,796 2,809 2,841 2,864 2,868 12,876 6,893 6.7,896 2,901 7.667,902 5.833,903 3.111,904 2.396,907 0.256,908 1.058,909 0.843,910 6.644,911 4.625,912 2.639,913 2.833,914 2.996,915 2.708,916 2.639,917 2.197,918 1.386,919 1.099,920 0.693,922 0.8,923 12,924 4.488,925 0.006,926 1.681,927 -0.014,929 8.028,931 8.618,932 0.002,933 6.272,934 -0.007,935 0.001,936 2.528,937 30.333,938 0.013,941 211.88,942 43.125,945 50.29,948 43.125,949 262.17,951 17.65,952 15.207,954 60.557,957 211.88,959 211.88,960 43.125,961 50.29,964 211.88,965 50.29,968 32.858,969 10.267,972 211.88,973 50.29,974 43.125,977 211.88,978 25.474,979 17.65,981 50.29,982 211.88,983 50.29,984 43.125,986 0.517,987 0.282,988 0.121,989 0.068,990 2,991 2,992 0.241,993 7,996 2.355,997 52.505,1000 31.02,1005 11.351,1006 7.024,1007 5.667,1009 50.29,1018 305.294,1019 13,1024 22.116,1028 -0.351,1031 29.607,1032 34.156,1034 0.251,1035 0.381,1036 0.596,1037 0.65,1038 0.65,1039 0.65,1040 3.738,1041 -1,1042 4.443,1043 -1.799,1044 3.219,1045 3.497,1046 2.019,1047 5.03,1048 3.281,1049 4.804,1050 -1.414,1051 5.889,1052 -1.804,1053 2.565,1054 3.219,1056 5.666,1057 2.734,1058 6.016,1059 -1.732,1060 7.458,1061 -3.244,1062 4.575,1063 5.242,1064 2.456,1065 8.639,1066 4.72,1067 7.275,1068 -1.903,1069 9.099,1070 -3.84,1071 4.796,1072 5.889,1074 10.125,1075 5.071,1076 8.578,1078 10.785,1079 -5.723,1080 6.248,1081 7.373,1082 2.912,1083 12.584,1084 6.501,1085 9.909,1087 12.501,1089 6.889,1090 8.382,1092 14.386,1093 7.257,1094 11.26,1096 14.235,1098 8.093,1099 9.682,1100 3.38,1101 16.643,1102 8.461,1103 2.709,1105 15.981,1107 8.928,1108 10.82,1110 18.582,1111 9.387,1112 1.732,1113 7.931,1114 17.736,1116 10.021,1117 12.056,1118 3.857,1119 20.746,1120 10.499,1121 1.414,1122 3.84,1123 19.495,1124 3.333,1125 10.943,1126 13.238,1128 22.75,1129 11.496,1130 1,1131 2.552,1132 21.258,1133 1.902,1134 11.984,1135 14.453,1136 4.338,1137 24.869,1138 12.57,1139 0.194,1140 1.804,1141 23.023,1142 1.445,1143 12.947,1144 15.649,1146 26.905,1147 13.596,1149 0.284,1150 24.79,1151 1.176,1152 13.965,1153 16.857,1154 4.823,1155 29,1156 14.654,1157 -1,1159 26.558,1160 0.202,1161 14.945,1162 18.058,1164 31.053,1165 15.691,1166 867,1167 1356,1168 6.356,1169 17.762,1170 14.423,1171 15.905,1172 15.529,1173 14.098,1174 14.099,1175 16.115,1176 5.11,1177 32.821,1178 14.551,1179 4.937,1180 5.586,1181 5.738,1182 4.667,1183 4.612,1184 5.333,1185 2.555,1186 13.654,1187 4.751,1188 7.572,1189 1.311,1190 1.446,1191 1.412,1192 1.282,1193 1.282,1194 1.465,1195 0.465,1196 2.984,1197 1.323,1198 3.826,1199 3.862,1200 3.731,1201 3.68,1202 7.496,1203 3.683,1204 3.641,1205 3.713,1206 3.454,1207 3.505,1208 7.352,1209 3.483,1210 3.439,1211 3.491,1212 3.271,1213 3.251,1214 4.157,1215 3.249,1216 3.134,1217 3.225,1218 2.902,1219 2.933,1220 4.121,1221 2.908,1222 2.836,1223 2.922,1224 2.57,1225 2.576,1226 3.637,1227 2.563,1228 2.541,1229 2.638,1230 2.325,1231 2.225,1232 3.542,1233 2.214,1234 2.263,1235 2.398,1236 1.856,1237 1.919,1238 2.883,1239 1.884,1240 2.134,1241 2.21,1242 1.825,1243 1.68,1244 2.736,1245 1.706,1246 0.367,1247 0.352,1248 0.534,1249 0.342,1250 0.246,1251 4.035,1252 0.303,1253 3.874,1254 0.116,1255 5.872,1256 0.721,1257 3.764,1258 0.259,1259 2.709,1260 3.333,1261 1.277,1262 7.931,1263 2.847,1264 1.781,1265 1.741,1266 2.007,1267 1.953,1268 1.292,1269 1.968,1270 1.671,1271 1.602,1272 1.955,1273 1.848,1274 1.244,1275 1.888,1276 1.411,1277 1.358,1278 1.678,1279 1.638,1280 0.824,1281 1.651,1282 1.159,1283 1.068,1284 1.535,1285 1.406,1286 0.72,1287 1.454,1288 0.818,1289 0.735,1290 1.184,1291 1.126,1292 0.293,1293 1.148,1294 0.533,1295 0.417,1296 1.031,1297 0.877,1298 0.201,1299 0.93,1300 0.274,1301 0.144,1302 0.772,1303 0.668,1305 0.712,1306 0.064,1308 0.689,1309 0.498,1311 0.559,1312 3.135,1314 4.263,1316 5.572,1318 6.969,1320 8.415,1322 4.035,1328 4.533,1340 16.171,1341 36.929,1342 56.148,1343 87.697,1344 95.697,1345 95.697,1346 95.697,1347 46.247,1348 4.369,1349 34.14,1350 34.14,1352 10.438,1353 1.585,1354 1.585,1355 37.065,1356 28,1357 28,1358 0.676,1359 108.832,1360 193.86,1361 257.309,1362 238,1364 9.397,1365 0.783,1366 0.672,1367 9.397,1368 8.059,1369 5.719,1370 0.52,1371 0.435,1372 4.752,1373 5.585,1374 4.57,1375 3.939,1376 5.719,1377 4.78,1378 4.239,1379 0.353,1380 0.254,1381 4.239,1382 3.053,1383 2.997,1384 0.25,1385 0.152,1386 2.997,1387 1.826,1388 1.621,1389 0.162,1390 0.095,1391 1.621,1392 0.954,1393 1.13,1394 0.126,1395 0.065,1396 1.13,1397 0.581,1398 1.039,1399 35.467,1400 0.397,1401 12.715,1402 1.862,1403 46,1404 153.471,1405 50.207,1406 142.709,1407 174.5,1408 130,1409 47,1410 107.273,1411 51.097,1412 106.616,1413 149.68,1414 100,1415 4}
{0 CHEMBL1812856,1 1.194,2 8.286,3 3.563,4 12.696,5 58.401,6 5.509,8 3.566,9 3.713,10 2.804,11 3.058,12 4.473,13 2.956,14 4.167,15 4.408,16 2.977,17 3.378,18 4.97,19 3.212,20 4.455,21 4.751,22 3.028,23 3.43,24 5.451,25 3.242,26 4.349,27 4.631,28 2.887,29 3.321,30 5.277,31 3.145,32 4.235,33 4.51,34 2.808,35 3.202,36 5.214,37 3.039,38 4.107,39 4.373,40 2.722,41 3.067,42 5.172,43 2.92,44 3.961,45 4.206,46 2.461,47 2.931,48 5.061,49 2.769,50 3.859,51 4.154,52 2.033,53 2.817,54 4.649,55 2.568,56 0.031,57 0.441,58 8.629,59 3.843,60 3.296,61 5.331,62 0.077,63 0.662,64 14.491,65 5.785,66 7.788,67 8.326,68 0.286,69 0.734,70 18.547,71 6.383,72 54.818,73 9.443,74 0.207,75 0.653,76 16.866,77 5.613,78 34.321,79 8.299,80 0.197,81 0.576,82 15.2,83 4.925,84 33.166,85 7.285,86 0.187,87 0.5,88 13.535,89 4.236,90 35.762,91 6.27,92 0.19,93 0.432,94 11.828,95 3.66,96 38.632,97 5.396,98 0.128,99 0.393,100 9.842,101 3.444,102 23.607,103 5.108,104 36,105 14,106 0.229,107 0.344,108 0.563,109 0.664,110 0.664,111 0.664,112 2.726,113 1.334,114 -3.56,115 -3.54,116 -3.37,121 33.3,122 2,123 8,158 2,176 8,180 2,187 6,191 1,192 4,200 5,206 4,214 4,219 4,227 3,232 4,239 4,244 2,251 5,264 4,277 3,281 224,282 9.312,283 9.312,284 9.312,285 9.312,286 9.312,287 9.065,288 6.545,289 6.243,290 9.252,291 6.332,292 6.332,293 6.332,294 6.332,295 6.332,296 5.814,297 4.628,298 2.887,299 6.203,300 3.976,301 3.378,302 2.237,303 1.709,304 1.709,305 1.709,306 3.313,311 1,312 1,313 208,314 3.742,325 1.469,326 17.413,329 1,330 0.83,331 0.67,332 1,333 1,334 1,335 1,336 0.93,337 30,338 116,339 4.035,340 3.874,341 5.872,342 3.764,343 2.71,344 3.333,345 1.277,346 7.931,347 2.847,348 2.942,349 2.937,350 4.134,351 2.814,352 1.802,353 1.932,354 1.277,355 3.935,356 1.823,357 2.635,358 1.694,359 3.6,360 2.613,361 1.608,362 1.63,364 3.059,365 1.615,366 2.497,367 1.691,368 3.346,369 2.285,370 1.247,371 1.414,373 2.449,374 1.289,375 1.759,376 1.007,377 2.72,378 1.708,379 0.698,380 0.717,382 1.135,383 0.704,384 1.709,385 0.992,386 2.257,387 1.501,388 0.445,389 0.518,391 0.719,392 0.466,393 0.77,394 0.223,395 1.759,396 0.644,397 -0.376,398 -0.391,400 -0.595,401 -0.381,402 0.759,403 0.082,404 1.441,405 0.607,406 -0.445,407 -0.518,409 -0.719,410 -0.466,411 0.171,412 -0.63,413 1.238,414 -0.126,415 -1.21,416 -1.363,418 -2.422,419 -1.285,420 -0.136,421 -0.918,422 0.73,423 -0.215,424 -1.247,425 -1.414,427 -2.449,428 -1.289,429 -0.437,430 -1.305,431 0.722,432 -0.471,433 -1.498,434 -1.926,436 -3.378,437 -1.568,438 -0.771,439 -1.704,440 0.091,441 -0.793,442 -1.802,443 -1.932,444 -1.277,445 -3.935,446 -1.823,447 -0.932,448 -1.783,449 0.089,450 -0.932,451 -1.932,452 -2,453 -1.277,454 -5.729,455 -1.933,474 6.667,475 0.476,476 0.195,477 0.014,478 10,479 0.714,480 3,481 0.214,482 7,483 0.5,484 13.758,485 0.983,486 17.933,487 0.498,488 5.083,489 0.363,490 1.294,491 0.092,492 5.425,493 0.387,494 0.25,496 0.15,501 0.52,502 1.5,503 1.149,504 1.497,505 0.507,506 1.413,507 0.532,508 1.392,509 1.054,510 1.385,511 0.523,512 1.297,513 0.814,514 0.945,515 0.861,516 0.939,517 0.833,518 0.91,519 1.388,520 0.954,521 1.051,522 0.947,523 1.422,524 0.955,525 1.557,526 0.952,527 1.083,528 0.942,529 1.603,530 0.951,531 1.776,532 0.949,533 1.125,534 0.935,535 1.781,536 0.946,537 2.192,538 1.029,539 1.446,540 1.033,541 2.152,542 1.133,543 1.268,544 1.001,545 1.247,546 1.023,547 1.233,548 1.12,549 2,550 0.017,551 1.333,552 0.625,553 0.4,554 0.278,555 0.122,556 0.031,557 0.025,558 0.02,559 1189,560 2315,561 1.739,562 61.1,563 18,568 4,572 1.502,573 1.615,574 3.088,575 -0.835,579 1,582 42.99,583 1.194,584 1.792,585 2.933,586 3.461,587 3.461,588 3.461,589 2.522,590 2.807,591 3.769,592 3.174,593 288.799,594 6.259,595 2409.64,597 1,600 186.117,601 1.379,602 3.719,603 0.154,604 0.008,605 0.095,606 0.045,607 0.033,608 0.025,609 0.012,610 0.004,611 0.006,612 0.007,613 0.39,614 0.83,615 1,616 2.522,617 55.731,618 -0.001,619 -0.057,620 -0.037,621 -0.057,622 0.003,623 -0.052,624 0.046,625 -0.228,626 -0.062,627 -0.217,628 0.035,629 -0.16,630 0.184,631 0.005,632 0.108,633 0.011,634 0.163,635 0.046,636 -0.101,638 -0.03,640 -0.121,641 -0.005,642 -0.122,644 -0.037,646 -0.145,647 -0.007,648 -0.149,650 -0.046,652 -0.121,653 -0.009,654 -0.312,655 -0.057,656 -0.316,657 -0.082,658 -0.222,659 -0.186,660 -0.195,661 -0.061,662 -0.277,663 -0.085,664 -0.154,665 -0.18,666 1.824,667 4.263,669 10.857,670 0.983,671 1.139,672 2.334,673 5.446,674 0.591,675 2.639,676 2.708,677 2.708,678 2.565,679 2.485,680 2.398,681 2.079,682 1.609,683 1.386,684 1.099,685 4.9,686 0.534,687 198.34,688 2.639,689 4.007,690 4.71,691 5.442,692 6.176,693 6.923,694 7.669,695 8.423,696 9.176,697 9.934,741 36,743 2,745 13,747 35,748 12,752 2,763 2,770 8,772 2,773 10,777 2,782 2,786 2,790 1,793 22,794 2,796 2,809 2,841 2,864 2,868 14,876 8,893 5.6,896 2,901 8.667,902 6.833,903 3.611,904 2.896,907 0.227,908 1.049,909 0.851,910 8.513,911 4.89,912 2.773,913 2.944,914 3.091,915 2.833,916 2.773,917 2.708,918 2.303,919 1.609,920 1.386,921 1.099,922 0.833,923 14,924 5.252,925 0.002,926 1.974,927 0.026,929 7.881,931 10.251,932 0.001,933 7.605,934 -0.002,936 2.381,937 33.333,938 0.008,941 258.964,942 48.194,945 50.29,948 48.194,949 309.254,951 17.65,952 20.276,954 60.557,957 258.964,959 258.964,960 48.194,961 50.29,964 258.964,965 50.29,968 37.927,969 10.267,972 258.964,973 50.29,974 48.194,977 258.964,978 30.543,979 17.65,981 50.29,982 258.964,983 50.29,984 48.194,986 0.514,987 0.274,988 0.116,989 0.059,990 2,991 2,992 0.257,993 9,996 2.635,997 65.569,1000 39.303,1005 13.351,1006 8.927,1007 7.482,1009 50.29,1018 357.448,1019 15,1024 22.525,1028 -0.316,1031 35.374,1032 40.986,1034 0.231,1035 0.347,1036 0.567,1037 0.67,1038 0.67,1039 0.67,1040 3.871,1041 -0.445,1042 4.575,1043 -0.595,1044 3.367,1045 3.611,1046 2.019,1047 5.13,1048 3.421,1049 4.913,1050 -1.21,1051 5.994,1052 -0.719,1053 2.565,1054 3.219,1056 5.666,1057 2.734,1058 6.105,1059 -1.247,1060 7.535,1061 -2.422,1062 4.691,1063 5.303,1064 2.456,1065 8.673,1066 4.822,1067 7.343,1068 -1.498,1069 9.154,1070 -2.449,1071 4.796,1072 5.889,1074 10.125,1075 5.071,1076 8.63,1077 -1.802,1078 10.823,1079 -3.378,1080 6.323,1081 7.398,1082 2.912,1083 12.593,1084 6.559,1085 9.948,1086 -1.932,1087 12.526,1088 -3.935,1089 6.889,1090 8.382,1092 14.386,1093 7.257,1094 11.288,1096 14.252,1097 -5.729,1098 8.135,1099 9.691,1100 3.38,1101 16.646,1102 8.49,1103 2.71,1105 15.992,1107 8.928,1108 10.82,1110 18.582,1111 9.387,1112 1.802,1113 7.931,1114 17.743,1116 10.044,1117 12.06,1118 3.857,1119 20.748,1120 10.514,1121 1.608,1122 3.935,1123 19.5,1124 3.333,1125 10.943,1126 13.238,1128 22.751,1129 11.497,1130 1.247,1131 3.059,1132 21.261,1133 1.932,1134 11.998,1135 14.454,1136 4.338,1137 24.87,1138 12.578,1139 0.698,1140 2.449,1141 23.026,1142 1.63,1143 12.949,1144 15.65,1146 26.906,1147 13.597,1148 0.445,1149 1.135,1150 24.792,1151 1.414,1152 13.973,1153 16.858,1154 4.823,1155 29.002,1156 14.659,1157 -0.376,1158 0.719,1159 26.559,1160 0.717,1161 14.948,1162 18.059,1164 31.055,1165 15.693,1166 1413,1167 2054,1168 7.742,1169 21.284,1170 17.308,1171 18.705,1172 18.013,1173 17.004,1174 17.02,1175 19.087,1176 5.11,1177 38.455,1178 17.488,1179 4.967,1180 5.658,1181 5.784,1182 4.697,1183 4.642,1184 5.333,1185 2.555,1186 13.66,1187 4.78,1188 8.654,1189 1.331,1190 1.439,1191 1.386,1192 1.308,1193 1.309,1194 1.468,1195 0.393,1196 2.958,1197 1.345,1198 3.839,1199 3.88,1200 3.739,1201 3.699,1202 7.496,1203 3.698,1204 3.689,1205 3.759,1206 3.51,1207 3.561,1208 7.352,1209 3.539,1210 3.539,1211 3.59,1212 3.381,1213 3.369,1214 4.187,1215 3.366,1216 3.298,1217 3.384,1218 3.077,1219 3.123,1220 4.154,1221 3.098,1222 3.057,1223 3.133,1224 2.825,1225 2.833,1226 3.795,1227 2.821,1228 2.782,1229 2.883,1230 2.541,1231 2.53,1232 3.735,1233 2.506,1234 2.529,1235 2.641,1236 2.193,1237 2.233,1238 3.196,1239 2.208,1240 2.334,1241 2.432,1242 2.092,1243 1.968,1244 3.081,1245 1.962,1246 0.31,1247 0.298,1248 0.452,1249 0.29,1250 0.208,1251 4.035,1252 0.256,1253 3.874,1254 0.098,1255 5.872,1256 0.61,1257 3.764,1258 0.219,1259 2.71,1260 3.333,1261 1.277,1262 7.931,1263 2.847,1264 1.799,1265 1.755,1266 2.028,1267 1.965,1268 1.339,1269 1.984,1270 1.719,1271 1.653,1272 1.992,1273 1.888,1274 1.307,1275 1.927,1276 1.519,1277 1.467,1278 1.777,1279 1.727,1280 0.975,1281 1.743,1282 1.327,1283 1.244,1284 1.671,1285 1.548,1286 0.894,1287 1.595,1288 1.045,1289 0.97,1290 1.378,1291 1.315,1292 0.516,1293 1.338,1294 0.799,1295 0.693,1296 1.241,1297 1.095,1298 0.427,1299 1.148,1300 0.532,1301 0.423,1302 0.974,1303 0.878,1304 0.105,1305 0.916,1306 0.314,1307 0.184,1308 0.871,1309 0.696,1310 0.045,1311 0.755,1312 3.296,1314 4.419,1316 5.714,1318 7.093,1320 8.521,1322 4.182,1328 6.942,1340 19.224,1341 42.99,1342 64.5,1343 105.588,1344 124.608,1345 124.608,1346 124.608,1347 61.752,1348 4.663,1349 34.14,1350 34.14,1352 10.569,1353 1.585,1354 1.585,1355 48.52,1356 39,1357 40,1358 0.613,1359 128.016,1360 228.46,1361 304.12,1362 385,1364 10.812,1365 0.772,1366 0.677,1367 10.812,1368 9.473,1369 6.719,1370 0.517,1371 0.445,1372 5.752,1373 6.585,1374 5.55,1375 4.772,1376 6.719,1377 5.78,1378 4.946,1379 0.353,1380 0.269,1381 4.946,1382 3.761,1383 3.497,1384 0.25,1385 0.166,1386 3.497,1387 2.326,1388 2.002,1389 0.167,1390 0.112,1391 2.002,1392 1.35,1393 1.23,1394 0.112,1395 0.067,1396 1.23,1397 0.737,1398 0.972,1399 41.467,1400 0.359,1401 14.998,1402 1.622,1403 54,1404 161.471,1405 58.207,1406 151.033,1407 186.02,1408 138,1409 55,1410 115.273,1411 59.097,1412 114.94,1413 161.2,1414 108,1415 4}
{0 CHEMBL1812857,1 1.166,2 9.75,3 4.476,4 20.031,5 67.603,6 5.39,8 3.717,9 3.867,10 2.937,11 3.211,12 4.586,13 3.104,14 4.328,15 4.572,16 3.105,17 3.545,18 5.091,19 3.37,20 4.631,21 4.935,22 3.153,23 3.613,24 5.551,25 3.409,26 4.544,27 4.836,28 3.029,29 3.523,30 5.395,31 3.328,32 4.451,33 4.738,34 2.961,35 3.427,36 5.338,37 3.24,38 4.349,39 4.631,40 2.887,41 3.321,42 5.278,43 3.145,44 4.235,45 4.51,46 2.808,47 3.202,48 5.24,49 3.039,50 4.108,51 4.366,52 2.571,53 3.084,54 5.136,55 2.905,56 0.04,57 0.518,58 10.15,59 4.524,60 3.724,61 6.3,62 0.092,63 0.786,64 16.969,65 6.892,66 7.613,67 9.901,68 0.302,69 0.887,70 21.655,71 7.748,72 53.735,73 11.406,74 0.218,75 0.806,76 19.991,77 6.98,78 32.086,79 10.277,80 0.209,81 0.729,82 18.351,83 6.292,84 31.117,85 9.27,86 0.2,87 0.653,88 16.711,89 5.605,90 30.316,91 8.262,92 0.191,93 0.576,94 15.071,95 4.917,96 34.051,97 7.255,98 0.191,99 0.509,100 13.374,101 4.342,102 36.846,103 6.389,104 40,105 16,106 0.215,107 0.317,108 0.522,109 0.645,110 0.68,111 0.68,112 2.847,113 1.356,114 -4.1,115 -4.05,116 -3.83,121 33.3,122 2,123 10,158 2,176 10,180 2,187 8,191 1,192 4,200 7,206 4,214 6,219 4,227 5,232 4,239 4,244 4,251 5,256 2,264 6,277 5,281 336,282 10.726,283 10.726,284 10.726,285 10.726,286 10.726,287 10.479,288 6.545,289 7.243,290 10.666,291 7.332,292 7.332,293 7.332,294 7.332,295 7.332,296 6.814,297 4.628,298 3.387,299 7.203,300 4.227,301 3.672,302 2.56,303 1.893,304 1.703,305 1.703,306 3.449,311 1,312 1,313 284,314 4,325 1.75,326 18.24,328 1,329 1,330 0.83,331 0.83,332 0.8,333 1,334 0.83,335 0.5,336 0.83,337 34,338 156,339 4.035,340 3.874,341 5.872,342 3.765,343 2.71,344 3.333,345 1.277,346 7.931,347 2.847,348 2.956,349 2.937,350 4.142,351 2.856,352 1.848,353 1.95,354 1.277,355 3.982,356 1.862,357 2.739,358 1.775,359 3.718,360 2.726,361 1.722,362 1.737,364 3.351,365 1.727,366 2.618,367 1.772,368 3.548,369 2.442,370 1.414,371 1.564,373 2.886,374 1.449,375 2.072,376 1.222,377 3.029,378 2.038,379 1.03,380 1.051,382 1.82,383 1.037,384 2,385 1.22,386 2.69,387 1.81,388 0.765,389 0.868,391 1.348,392 0.795,393 1.214,394 0.556,395 2.209,396 1.148,397 0.137,398 0.141,400 0.217,401 0.138,402 1.209,403 0.489,404 1.804,405 1.05,411 0.462,412 -0.181,413 1.409,414 0.276,415 -0.751,416 -0.785,418 -1.314,419 -0.764,420 0.382,421 -0.365,422 1.213,423 0.275,424 -0.765,425 -0.868,427 -1.348,428 -0.795,430 -0.899,431 1.171,432 -0.217,433 -1.305,434 -1.531,436 -2.779,437 -1.411,438 -0.338,439 -1.189,440 0.539,441 -0.392,442 -1.414,443 -1.564,445 -2.886,446 -1.449,447 -0.573,448 -1.435,449 0.53,450 -0.585,451 -1.594,452 -1.946,454 -3.497,455 -1.624,456 -0.827,457 -1.784,458 0.064,459 -0.841,460 -1.848,461 -1.95,462 -1.277,463 -3.982,464 -1.862,465 -0.95,466 -1.833,467 0.063,468 -0.95,469 -1.95,470 -2,471 -1.277,472 -5.73,473 -1.95,474 7.667,475 0.479,476 0.195,477 0.012,478 11,479 0.688,480 3,481 0.188,482 8,483 0.5,484 16.974,485 1.061,486 20.533,487 0.489,488 5.376,489 0.336,490 1.294,491 0.081,492 6.425,493 0.402,494 0.217,496 0.13,501 0.531,502 1.5,503 1.188,504 1.497,505 0.507,506 1.424,507 0.539,508 1.408,509 1.106,510 1.403,511 0.519,512 1.327,513 0.791,514 0.953,515 0.874,516 0.949,517 0.804,518 0.924,519 1.309,520 0.961,521 1.031,522 0.957,523 1.339,524 0.962,525 1.434,526 0.96,527 1.053,528 0.953,529 1.474,530 0.96,531 1.587,532 0.958,533 1.079,534 0.949,535 1.639,536 0.957,537 1.779,538 0.956,539 1.112,540 0.943,541 1.791,542 0.953,543 2.146,544 1.025,545 1.386,546 1.028,547 2.115,548 1.112,549 2,550 0.017,551 1.333,552 0.625,553 0.4,554 0.278,555 0.204,556 0.094,557 0.025,558 0.02,559 1871,560 3325,561 1.769,562 61.9,563 22,568 4,572 1.543,573 1.655,574 3.302,575 -0.856,577 1,582 48.963,583 1.166,584 1.721,585 2.833,586 3.499,587 3.69,588 3.69,589 2.75,590 3,591 3.961,592 3.411,593 409.377,594 6.64,595 3877.74,597 1,599 1,600 226.477,601 1.299,602 3.923,603 0.133,604 0.004,605 0.083,606 0.039,607 0.029,608 0.021,609 0.017,610 0.009,611 0.003,612 0.004,613 0.342,614 0.83,615 0.88,616 2.75,617 68.218,618 -0.002,619 -0.049,620 -0.034,621 -0.049,622 0.006,623 -0.045,624 0.039,625 -0.231,626 -0.089,627 -0.223,628 0.034,629 -0.176,630 0.183,631 0.004,632 0.094,633 0.009,634 0.167,635 0.038,636 -0.077,638 -0.021,640 -0.094,641 -0.004,642 -0.091,644 -0.025,646 -0.11,647 -0.004,648 -0.107,650 -0.029,652 -0.128,653 -0.005,654 -0.127,656 -0.035,658 -0.096,659 -0.006,660 -0.275,661 -0.049,662 -0.266,663 -0.069,664 -0.186,665 -0.156,666 1.812,667 4.42,669 14.75,670 0.98,671 1.138,672 2.869,673 8.232,674 0.591,675 2.773,676 2.833,677 2.833,678 2.708,679 2.639,680 2.565,681 2.485,682 2.197,683 1.792,684 1.609,685 5.686,686 0.53,687 226.4,688 2.773,689 4.143,690 4.844,691 5.572,692 6.301,693 7.041,694 7.784,695 8.532,696 9.282,697 10.036,741 42,743 2,745 15,747 41,748 14,752 2,763 2,770 10,772 2,773 12,777 2,782 2,786 2,790 1,793 26,794 2,796 2,809 2,841 2,864 2,868 16,876 10,893 4.8,896 2,901 9.667,902 7.833,903 4.111,904 3.396,907 0.204,908 1.041,909 0.857,910 10.414,911 5.124,912 2.89,913 3.045,914 3.178,915 2.944,916 2.89,917 2.833,918 2.773,919 2.398,920 1.792,921 1.609,922 0.857,923 16,924 6.014,926 2.266,927 0.026,929 7.771,931 11.884,933 8.938,934 -0.001,936 2.271,937 36.333,938 0.006,941 306.049,942 53.263,945 50.29,948 53.263,949 356.339,951 17.65,952 25.345,954 60.557,957 306.049,959 306.049,960 53.263,961 50.29,964 306.049,965 50.29,968 42.996,969 10.267,972 306.049,973 50.29,974 53.263,977 306.049,978 35.612,979 17.65,981 50.29,982 306.049,983 50.29,984 53.263,986 0.513,987 0.271,988 0.116,989 0.057,990 2,991 2,992 0.268,993 11,996 2.906,997 79.136,1000 48,1005 15.351,1006 10.855,1007 9.342,1009 50.29,1018 409.601,1019 17,1024 22.841,1028 -0.291,1031 41.141,1032 47.816,1034 0.216,1035 0.319,1036 0.525,1037 0.649,1038 0.684,1039 0.684,1040 3.989,1042 4.691,1043 0.217,1044 3.497,1045 3.714,1046 2.019,1047 5.22,1048 3.544,1049 5.011,1050 -0.751,1051 6.089,1053 2.565,1054 3.219,1056 5.666,1057 2.734,1058 6.186,1059 -0.765,1060 7.607,1061 -1.314,1062 4.796,1063 5.361,1064 2.456,1065 8.705,1066 4.914,1067 7.407,1068 -1.305,1069 9.206,1070 -1.348,1071 4.796,1072 5.889,1074 10.125,1075 5.071,1076 8.679,1077 -1.414,1078 10.859,1079 -2.779,1080 6.392,1081 7.422,1082 2.912,1083 12.602,1084 6.614,1085 9.985,1086 -1.594,1087 12.551,1088 -2.886,1089 6.889,1090 8.382,1092 14.386,1093 7.257,1094 11.316,1095 -1.848,1096 14.268,1097 -3.497,1098 8.176,1099 9.699,1100 3.38,1101 16.649,1102 8.518,1103 2.71,1104 -1.95,1105 16.003,1106 -3.982,1107 8.928,1108 10.82,1110 18.582,1111 9.387,1112 1.848,1113 7.931,1114 17.75,1115 -5.73,1116 10.065,1117 12.062,1118 3.857,1119 20.749,1120 10.527,1121 1.722,1122 3.982,1123 19.505,1124 3.333,1125 10.943,1126 13.238,1128 22.751,1129 11.497,1130 1.414,1131 3.351,1132 21.265,1133 1.95,1134 12.009,1135 14.455,1136 4.338,1137 24.87,1138 12.584,1139 1.03,1140 2.886,1141 23.028,1142 1.737,1143 12.949,1144 15.65,1146 26.906,1147 13.597,1148 0.765,1149 1.82,1150 24.793,1151 1.564,1152 13.98,1153 16.858,1154 4.823,1155 29.002,1156 14.662,1157 0.137,1158 1.348,1159 26.56,1160 1.051,1161 14.948,1162 18.059,1164 31.055,1165 15.693,1166 2159,1167 2976,1168 9.129,1169 24.807,1170 19.556,1171 21.12,1172 20.55,1173 19.243,1174 19.253,1175 21.286,1176 5.11,1177 43.07,1178 19.711,1179 4.985,1180 5.707,1181 5.809,1182 4.715,1183 4.66,1184 5.333,1185 2.555,1186 13.661,1187 4.798,1188 9.675,1189 1.304,1190 1.408,1191 1.37,1192 1.283,1193 1.284,1194 1.419,1195 0.341,1196 2.871,1197 1.314,1198 3.85,1199 3.893,1200 3.745,1201 3.713,1202 7.496,1203 3.71,1204 3.721,1205 3.79,1206 3.546,1207 3.597,1208 7.352,1209 3.576,1210 3.607,1211 3.657,1212 3.455,1213 3.448,1214 4.208,1215 3.444,1216 3.411,1217 3.493,1218 3.202,1219 3.253,1220 4.174,1221 3.229,1222 3.216,1223 3.287,1224 3.006,1225 3.017,1226 3.899,1227 3.005,1228 2.976,1229 3.073,1230 2.733,1231 2.761,1232 3.859,1233 2.735,1234 2.752,1235 2.85,1236 2.463,1237 2.495,1238 3.419,1239 2.473,1240 2.537,1241 2.644,1242 2.294,1243 2.238,1244 3.333,1245 2.217,1246 0.269,1247 0.258,1248 0.391,1249 0.251,1250 0.181,1251 4.035,1252 0.222,1253 3.874,1254 0.085,1255 5.872,1256 0.529,1257 3.765,1258 0.19,1259 2.71,1260 3.333,1261 1.277,1262 7.931,1263 2.847,1264 1.811,1265 1.765,1266 2.042,1267 1.974,1268 1.37,1269 1.996,1270 1.751,1271 1.687,1272 2.016,1273 1.915,1274 1.348,1275 1.954,1276 1.592,1277 1.541,1278 1.844,1279 1.787,1280 1.081,1281 1.806,1282 1.442,1283 1.364,1284 1.764,1285 1.646,1286 1.019,1287 1.69,1288 1.209,1289 1.14,1290 1.519,1291 1.453,1292 0.689,1293 1.477,1294 1.003,1295 0.906,1296 1.404,1297 1.266,1298 0.61,1299 1.317,1300 0.754,1301 0.659,1302 1.153,1303 1.062,1304 0.302,1305 1.096,1306 0.547,1307 0.427,1308 1.044,1309 0.882,1310 0.233,1311 0.94,1312 3.434,1314 4.554,1316 5.838,1318 7.203,1320 8.616,1322 4.279,1328 9.505,1340 22.278,1341 48.963,1342 72.266,1343 118.968,1344 146.968,1345 154.968,1346 154.968,1347 78.98,1348 4.92,1349 34.14,1350 34.14,1352 10.674,1353 1.585,1354 1.585,1355 61.265,1356 52,1357 54,1358 0.567,1359 147.201,1360 263.06,1361 350.93,1362 584,1364 12.226,1365 0.764,1366 0.68,1367 12.226,1368 10.888,1369 7.719,1370 0.515,1371 0.452,1372 6.752,1373 7.585,1374 6.531,1375 5.605,1376 7.719,1377 6.78,1378 5.653,1379 0.353,1380 0.279,1381 5.653,1382 4.468,1383 3.997,1384 0.25,1385 0.177,1386 3.997,1387 2.826,1388 2.355,1389 0.168,1390 0.122,1391 2.355,1392 1.704,1393 1.499,1394 0.115,1395 0.078,1396 1.499,1397 1.017,1398 0.919,1399 47.467,1400 0.331,1401 17.198,1402 1.456,1403 62,1404 169.471,1405 66.207,1406 159.356,1407 197.54,1408 146,1409 63,1410 123.273,1411 67.097,1412 123.263,1413 172.72,1414 116,1415 4}
{0 CHEMBL1812858,1 1.143,2 11.222,3 5.388,4 29.031,5 76.805,6 5.301,8 3.848,9 4.001,10 3.053,11 3.344,12 4.688,13 3.232,14 4.467,15 4.712,16 3.219,17 3.688,18 5.199,19 3.507,20 4.782,21 5.09,22 3.263,23 3.768,24 5.642,25 3.553,26 4.706,27 5.006,28 3.153,29 3.691,30 5.501,31 3.482,32 4.628,33 4.924,34 3.093,35 3.611,36 5.449,37 3.408,38 4.544,39 4.836,40 3.029,41 3.523,42 5.395,43 3.328,44 4.451,45 4.738,46 2.961,47 3.427,48 5.339,49 3.24,50 4.349,51 4.631,52 2.887,53 3.321,54 5.302,55 3.145,56 0.048,57 0.594,58 11.663,59 5.206,60 4.71,61 7.267,62 0.105,63 0.911,64 19.435,65 8,66 9.297,67 11.475,68 0.316,69 1.04,70 24.731,71 9.113,72 55.096,73 13.361,74 0.23,75 0.959,76 23.079,77 8.346,78 32.426,79 12.242,80 0.221,81 0.883,82 21.458,83 7.659,84 31.534,85 11.24,86 0.212,87 0.806,88 19.837,89 6.972,90 30.642,91 10.239,92 0.203,93 0.729,94 18.216,95 6.285,96 29.917,97 9.237,98 0.195,99 0.653,100 16.595,101 5.598,102 33.821,103 8.235,104 44,105 18,106 0.204,107 0.296,108 0.485,109 0.622,110 0.692,111 0.692,112 2.955,113 1.373,114 -5.52,115 -5.39,116 -5.03,121 33.3,122 2,123 12,158 2,176 12,180 2,187 10,191 1,192 4,200 9,206 4,214 8,219 4,227 7,232 4,239 6,244 4,251 5,256 4,264 6,269 2,277 7,281 480,282 12.14,283 12.14,284 12.14,285 12.14,286 12.14,287 11.894,288 6.545,289 8.243,290 12.08,291 8.332,292 8.332,293 8.332,294 8.332,295 8.332,296 7.814,297 4.628,298 3.887,299 8.203,300 4.442,301 3.926,302 2.864,303 2.094,304 1.698,305 1.698,306 3.569,311 1,312 1,313 372,314 4.243,325 2.025,326 18.88,329 0.75,330 0.83,331 0.83,332 0.8,333 1,334 0.83,335 0.5,336 0.79,337 38,338 202,339 4.035,340 3.874,341 5.872,342 3.765,343 2.71,344 3.333,345 1.277,346 7.931,347 2.847,348 2.966,349 2.937,350 4.145,351 2.886,352 1.879,353 1.962,354 1.277,355 4.007,356 1.89,357 2.806,358 1.829,359 3.791,360 2.796,361 1.794,362 1.804,364 3.529,365 1.797,366 2.7,367 1.826,368 3.674,369 2.553,370 1.532,371 1.663,373 3.176,374 1.56,375 2.287,376 1.382,377 3.249,378 2.262,379 1.256,380 1.275,382 2.328,383 1.262,384 2.205,385 1.382,386 3,387 2.036,388 1,389 1.111,391 1.877,392 1.031,393 1.572,394 0.807,395 2.551,396 1.529,397 0.52,398 0.531,400 0.874,401 0.524,402 1.547,403 0.779,404 2.192,405 1.391,406 0.347,407 0.39,409 0.58,410 0.36,411 0.82,412 0.176,413 1.816,414 0.732,415 -0.281,416 -0.29,418 -0.467,419 -0.284,420 0.815,421 0.062,422 1.532,423 0.694,424 -0.347,425 -0.39,427 -0.58,428 -0.36,429 0.278,430 -0.498,431 1.272,432 0.04,433 -1,434 -1.054,436 -1.876,437 -1.024,438 0.109,439 -0.698,440 1,441 0.031,442 -1,443 -1.111,445 -1.877,446 -1.031,447 -0.168,448 -1.089,449 1,450 -0.289,451 -1.361,452 -1.641,454 -2.992,455 -1.473,456 -0.478,457 -1.373,458 0.409,459 -0.516,460 -1.532,461 -1.663,463 -3.176,464 -1.56,465 -0.668,466 -1.534,467 0.402,468 -0.672,469 -1.676,470 -1.959,472 -3.598,473 -1.688,474 8.667,475 0.481,476 0.195,477 0.011,478 12,479 0.667,480 3,481 0.167,482 9,483 0.5,484 20.325,485 1.129,486 23.133,487 0.482,488 5.636,489 0.313,490 1.294,491 0.072,492 7.425,493 0.412,494 0.192,496 0.115,501 0.543,502 1.5,503 1.219,504 1.497,505 0.508,506 1.433,507 0.549,508 1.42,509 1.147,510 1.415,511 0.516,512 1.349,513 0.776,514 0.96,515 0.885,516 0.956,517 0.783,518 0.934,519 1.256,520 0.967,521 1.02,522 0.963,523 1.283,524 0.967,525 1.353,526 0.966,527 1.035,528 0.961,529 1.389,530 0.966,531 1.469,532 0.964,533 1.053,534 0.958,535 1.516,536 0.964,537 1.608,538 0.963,539 1.075,540 0.954,541 1.668,542 0.961,543 1.779,544 0.961,545 1.102,546 0.95,547 1.798,548 0.958,549 2,550 0.017,551 1.333,552 0.625,553 0.4,554 0.278,555 0.204,556 0.156,557 0.074,558 0.02,559 2777,560 4607,561 1.793,562 62.5,563 26,568 4,572 1.578,573 1.688,574 3.491,575 -0.873,582 54.871,583 1.143,584 1.659,585 2.721,586 3.491,587 3.887,588 3.887,589 2.948,590 3.17,591 4.13,592 3.617,593 553.341,594 6.976,595 5881.15,600 268.078,601 1.224,602 4.102,603 0.118,604 0.003,605 0.074,606 0.035,607 0.025,608 0.019,609 0.015,610 0.012,611 0.006,612 0.002,613 0.308,614 0.67,615 0.75,616 2.948,617 81.23,618 -0.002,619 -0.043,620 -0.031,621 -0.042,622 0.008,623 -0.04,624 0.033,625 -0.234,626 -0.109,627 -0.227,628 0.033,629 -0.187,630 0.182,631 0.004,632 0.083,633 0.008,634 0.169,635 0.033,636 -0.062,638 -0.015,640 -0.076,641 -0.002,642 -0.071,644 -0.018,646 -0.087,647 -0.003,648 -0.082,650 -0.02,652 -0.1,653 -0.004,654 -0.095,656 -0.024,658 -0.115,659 -0.004,660 -0.111,662 -0.028,664 -0.078,665 -0.005,666 1.804,667 4.546,669 18.963,670 0.977,671 1.138,672 4.287,673 18.375,674 0.59,675 2.89,676 2.944,677 2.944,678 2.833,679 2.773,680 2.708,681 2.639,682 2.565,683 2.303,684 1.946,685 6.48,686 0.528,687 254.46,688 2.89,689 4.263,690 4.963,691 5.687,692 6.412,693 7.148,694 7.885,695 8.629,696 9.374,697 10.124,741 48,743 2,745 17,747 47,748 16,752 2,763 2,770 12,772 2,773 14,777 2,782 2,786 2,793 30,794 2,796 2,809 2,841 2,864 2,868 18,876 12,893 4.2,896 2,901 10.667,902 8.833,903 4.611,904 3.896,907 0.185,908 1.036,909 0.861,910 12.337,911 5.333,912 2.996,913 3.135,914 3.258,915 3.045,916 2.996,917 2.944,918 2.89,919 2.833,920 2.485,921 1.946,922 0.875,923 18,924 6.775,926 2.557,927 0.026,929 7.685,931 13.517,933 10.272,936 2.185,937 39.333,938 0.004,941 353.133,942 58.332,945 50.29,948 58.332,949 403.423,951 17.65,952 30.414,954 60.557,957 353.133,959 353.133,960 58.332,961 50.29,964 353.133,965 50.29,968 48.065,969 10.267,972 353.133,973 50.29,974 58.332,977 353.133,978 40.681,979 17.65,981 50.29,982 353.133,983 50.29,984 58.332,986 0.511,987 0.269,988 0.116,989 0.056,990 2,991 2,992 0.277,993 13,996 3.17,997 93.15,1000 57.059,1005 17.351,1006 12.798,1007 11.233,1009 50.29,1018 461.755,1019 19,1024 23.092,1028 -0.274,1031 46.909,1032 54.647,1034 0.205,1035 0.297,1036 0.487,1037 0.625,1038 0.696,1039 0.696,1040 4.094,1041 0.347,1042 4.796,1043 0.874,1044 3.611,1045 3.807,1046 2.019,1047 5.303,1048 3.653,1049 5.1,1050 -0.281,1051 6.176,1052 0.58,1053 2.565,1054 3.219,1056 5.666,1057 2.734,1058 6.261,1059 -0.347,1060 7.675,1061 -0.467,1062 4.89,1063 5.416,1064 2.456,1065 8.736,1066 4.999,1067 7.467,1068 -1,1069 9.255,1070 -0.58,1071 4.796,1072 5.889,1074 10.125,1075 5.071,1076 8.726,1077 -1,1078 10.894,1079 -1.876,1080 6.457,1081 7.446,1082 2.912,1083 12.611,1084 6.667,1085 10.02,1086 -1.361,1087 12.575,1088 -1.877,1089 6.889,1090 8.382,1092 14.386,1093 7.257,1094 11.342,1095 -1.532,1096 14.284,1097 -2.992,1098 8.214,1099 9.708,1100 3.38,1101 16.651,1102 8.546,1103 2.71,1104 -1.676,1105 16.014,1106 -3.176,1107 8.928,1108 10.82,1110 18.582,1111 9.387,1112 1.879,1113 7.931,1114 17.757,1115 -3.598,1116 10.087,1117 12.065,1118 3.857,1119 20.749,1120 10.541,1121 1.794,1122 4.007,1123 19.51,1124 3.333,1125 10.943,1126 13.238,1128 22.751,1129 11.497,1130 1.532,1131 3.529,1132 21.268,1133 1.962,1134 12.021,1135 14.456,1136 4.338,1137 24.871,1138 12.591,1139 1.256,1140 3.176,1141 23.03,1142 1.804,1143 12.949,1144 15.65,1146 26.906,1147 13.597,1148 1,1149 2.328,1150 24.795,1151 1.663,1152 13.985,1153 16.859,1154 4.823,1155 29.002,1156 14.665,1157 0.52,1158 1.877,1159 26.561,1160 1.275,1161 14.948,1162 18.059,1164 31.055,1165 15.693,1166 3137,1167 4154,1168 10.515,1169 28.33,1170 22.353,1171 23.836,1172 23.066,1173 22.057,1174 22.078,1175 24.139,1176 5.11,1177 48.603,1178 22.544,1179 4.997,1180 5.742,1181 5.825,1182 4.726,1183 4.672,1184 5.333,1185 2.555,1186 13.661,1187 4.809,1188 10.647,1189 1.315,1190 1.402,1191 1.357,1192 1.297,1193 1.299,1194 1.42,1195 0.301,1196 2.859,1197 1.326,1198 3.858,1199 3.904,1200 3.749,1201 3.724,1202 7.496,1203 3.718,1204 3.744,1205 3.811,1206 3.572,1207 3.623,1208 7.352,1209 3.601,1210 3.655,1211 3.704,1212 3.506,1213 3.504,1214 4.224,1215 3.498,1216 3.493,1217 3.571,1218 3.293,1219 3.346,1220 4.187,1221 3.322,1222 3.333,1223 3.4,1224 3.137,1225 3.151,1226 3.97,1227 3.139,1228 3.126,1229 3.219,1230 2.891,1231 2.935,1232 3.942,1233 2.909,1234 2.931,1235 3.02,1236 2.674,1237 2.703,1238 3.581,1239 2.684,1240 2.723,1241 2.828,1242 2.469,1243 2.469,1244 3.517,1245 2.442,1246 0.237,1247 0.228,1248 0.345,1249 0.221,1250 0.159,1251 4.035,1252 0.196,1253 3.874,1254 0.075,1255 5.872,1256 0.467,1257 3.765,1258 0.167,1259 2.71,1260 3.333,1261 1.277,1262 7.931,1263 2.847,1264 1.82,1265 1.772,1266 2.053,1267 1.98,1268 1.392,1269 2.004,1270 1.774,1271 1.71,1272 2.033,1273 1.934,1274 1.376,1275 1.972,1276 1.644,1277 1.593,1278 1.891,1279 1.829,1280 1.157,1281 1.85,1282 1.524,1283 1.45,1284 1.83,1285 1.716,1286 1.11,1287 1.759,1288 1.329,1289 1.264,1290 1.624,1291 1.555,1292 0.824,1293 1.58,1294 1.157,1295 1.067,1296 1.527,1297 1.396,1298 0.756,1299 1.445,1300 0.934,1301 0.848,1302 1.301,1303 1.212,1304 0.469,1305 1.246,1306 0.746,1307 0.636,1308 1.199,1309 1.046,1310 0.402,1311 1.102,1312 3.555,1314 4.673,1316 5.948,1318 7.302,1320 8.704,1322 4.348,1328 12.168,1340 25.332,1341 54.871,1342 79.652,1343 130.62,1344 167.549,1345 186.568,1346 186.568,1347 97.936,1348 5.147,1349 34.14,1350 34.14,1352 10.766,1353 1.585,1354 1.585,1355 75.261,1356 67,1357 70,1358 0.531,1359 166.386,1360 297.66,1361 397.741,1362 843,1364 13.64,1365 0.758,1366 0.683,1367 13.64,1368 12.302,1369 8.719,1370 0.513,1371 0.458,1372 7.752,1373 8.585,1374 7.511,1375 6.439,1376 8.719,1377 7.78,1378 6.36,1379 0.353,1380 0.287,1381 6.36,1382 5.175,1383 4.497,1384 0.25,1385 0.185,1386 4.497,1387 3.326,1388 2.709,1389 0.169,1390 0.129,1391 2.709,1392 2.057,1393 1.749,1394 0.117,1395 0.084,1396 1.749,1397 1.267,1398 0.875,1399 53.467,1400 0.308,1401 19.324,1402 1.334,1403 70,1404 177.471,1405 74.207,1406 167.679,1407 209.06,1408 154,1409 71,1410 131.273,1411 75.097,1412 131.586,1413 184.24,1414 124,1415 4}
{0 CHEMBL1812859,1 1.125,2 12.7,3 6.3,4 39.695,5 86.007,6 5.232,8 3.964,9 4.119,10 3.158,11 3.461,12 4.78,13 3.346,14 4.589,15 4.835,16 3.321,17 3.814,18 5.296,19 3.626,20 4.912,21 5.224,22 3.362,23 3.902,24 5.725,25 3.678,26 4.846,27 5.151,28 3.263,29 3.835,30 5.596,31 3.616,32 4.779,33 5.081,34 3.21,35 3.766,36 5.549,37 3.552,38 4.706,39 5.006,40 3.153,41 3.691,42 5.501,43 3.482,44 4.628,45 4.924,46 3.093,47 3.611,48 5.449,49 3.408,50 4.544,51 4.836,52 3.029,53 3.523,54 5.396,55 3.328,56 0.056,57 0.671,58 13.172,59 5.887,60 5.583,61 8.234,62 0.118,63 1.035,64 21.892,65 9.107,66 10.797,67 13.047,68 0.331,69 1.194,70 27.787,71 10.477,72 56.352,73 15.31,74 0.241,75 1.112,76 26.143,77 9.711,78 32.867,79 14.2,80 0.233,81 1.036,82 24.537,83 9.025,84 32.032,85 13.202,86 0.224,87 0.959,88 22.931,89 8.338,90 31.197,91 12.204,92 0.216,93 0.883,94 21.324,95 7.652,96 30.363,97 11.207,98 0.208,99 0.806,100 19.718,101 6.966,102 29.695,103 10.209,104 48,105 20,106 0.195,107 0.278,108 0.452,109 0.587,110 0.677,111 0.702,112 3.053,113 1.386,114 -6,115 -5.85,116 -5.44,121 33.3,122 2,123 14,158 2,176 14,180 2,187 12,191 1,192 4,200 11,206 4,214 10,219 4,227 9,232 4,239 8,244 4,251 7,256 4,264 6,269 4,277 7,281 660,282 13.554,283 13.554,284 13.554,285 13.554,286 13.554,287 13.308,288 6.545,289 9.243,290 13.494,291 9.332,292 9.332,293 9.332,294 9.332,295 9.332,296 8.814,297 4.628,298 4.387,299 9.203,300 4.63,301 4.148,302 3.14,303 2.361,304 1.843,305 1.695,306 3.676,312 1,313 472,314 4.472,325 2.3,326 19.39,329 0.75,330 0.67,331 0.83,332 0.6,333 1,334 0.83,335 0.5,336 0.74,337 42,338 254,339 4.035,340 3.874,341 5.872,342 3.765,343 2.71,344 3.333,345 1.277,346 7.931,347 2.847,348 2.973,349 2.937,350 4.147,351 2.907,352 1.902,353 1.97,354 1.277,355 4.022,356 1.91,357 2.85,358 1.866,359 3.84,360 2.843,361 1.841,362 1.849,364 3.644,365 1.844,366 2.759,367 1.864,368 3.756,369 2.634,370 1.618,371 1.732,373 3.372,374 1.641,375 2.437,376 1.502,377 3.408,378 2.418,379 1.414,380 1.43,382 2.693,383 1.419,384 2.355,385 1.501,386 3.219,387 2.204,388 1.176,389 1.286,391 2.295,392 1.205,393 1.844,394 1.005,395 2.815,396 1.812,397 0.806,398 0.819,400 1.427,401 0.81,402 1.803,403 0.995,404 2.528,405 1.656,406 0.618,407 0.684,409 1.09,410 0.638,411 1.168,412 0.454,413 2.165,414 1.115,415 0.105,416 0.108,418 0.176,419 0.106,420 1.165,421 0.388,422 1.841,423 1.04,429 0.548,430 -0.146,431 1.515,432 0.424,433 -0.592,434 -0.61,436 -1.042,437 -0.599,438 0.509,439 -0.285,440 1.336,441 0.416,442 -0.618,443 -0.684,445 -1.09,446 -0.638,447 0.136,448 -0.74,449 1.222,450 -0.103,451 -1.163,452 -1.245,454 -2.288,455 -1.205,456 -0.094,457 -0.946,458 0.816,459 -0.152,460 -1.176,461 -1.286,463 -2.295,464 -1.205,465 -0.313,466 -1.23,467 0.812,468 -0.368,469 -1.414,470 -1.717,472 -3.133,473 -1.51,474 9.667,475 0.483,476 0.195,477 0.01,478 13,479 0.65,480 3,481 0.15,482 10,483 0.5,484 23.795,485 1.19,486 25.733,487 0.477,488 5.869,489 0.293,490 1.294,491 0.065,492 8.425,493 0.421,494 0.172,496 0.103,501 0.555,502 1.5,503 1.245,504 1.498,505 0.509,506 1.44,507 0.559,508 1.429,509 1.181,510 1.425,511 0.516,512 1.366,513 0.766,514 0.964,515 0.895,516 0.962,517 0.768,518 0.942,519 1.217,520 0.971,521 1.012,522 0.968,523 1.242,524 0.971,525 1.296,526 0.97,527 1.024,528 0.966,529 1.329,530 0.97,531 1.388,532 0.969,533 1.037,534 0.964,535 1.431,536 0.968,537 1.496,538 0.968,539 1.053,540 0.962,541 1.55,542 0.967,543 1.623,544 0.967,545 1.071,546 0.959,547 1.69,548 0.965,549 2,550 0.017,551 1.333,552 0.625,553 0.4,554 0.278,555 0.204,556 0.156,557 0.123,558 0.06,559 3939,560 6193,561 1.813,562 63,563 30,568 4,572 1.609,573 1.714,574 3.658,575 -0.886,582 60.732,583 1.125,584 1.607,585 2.615,586 3.394,587 3.912,588 4.06,589 3.122,590 3.122,591 4.282,592 3.797,593 721.382,594 7.278,595 8514.99,600 310.764,601 1.157,602 4.261,603 0.105,604 0.002,605 0.067,606 0.031,607 0.022,608 0.016,609 0.013,610 0.01,611 0.009,612 0.005,613 0.28,614 0.67,615 0.75,616 3.122,617 94.704,618 -0.002,619 -0.038,620 -0.028,621 -0.038,622 0.01,623 -0.035,624 0.028,625 -0.236,626 -0.124,627 -0.23,628 0.032,629 -0.195,630 0.179,631 0.003,632 0.074,633 0.007,634 0.17,635 0.028,636 -0.052,638 -0.012,640 -0.063,641 -0.002,642 -0.058,644 -0.013,646 -0.072,647 -0.002,648 -0.066,650 -0.015,652 -0.081,653 -0.002,654 -0.074,656 -0.017,658 -0.092,659 -0.003,660 -0.085,662 -0.02,664 -0.104,665 -0.003,666 1.797,667 4.649,669 24,670 0.975,671 1.138,672 4.767,673 22.728,674 0.59,675 2.996,676 3.045,677 3.045,678 2.944,679 2.89,680 2.833,681 2.773,682 2.708,683 2.639,684 2.398,685 7.279,686 0.526,687 282.52,688 2.996,689 4.369,690 5.069,691 5.79,692 6.512,693 7.244,694 7.977,695 8.717,696 9.458,697 10.203,741 54,743 2,745 19,747 53,748 18,752 2,763 2,770 14,772 2,773 16,777 2,782 2,786 2,793 34,794 2,796 2,809 2,841 2,864 2,868 20,876 14,893 3.7,896 2,901 11.667,902 9.833,903 5.111,904 4.396,907 0.17,908 1.032,909 0.865,910 14.274,911 5.521,912 3.091,913 3.219,914 3.332,915 3.135,916 3.091,917 3.045,918 2.996,919 2.944,920 2.89,921 2.565,922 0.889,923 20,924 7.535,926 2.846,927 0.026,929 7.617,931 15.15,933 11.605,936 2.117,937 42.333,938 0.003,941 400.217,942 63.401,945 50.29,948 63.401,949 450.507,951 17.65,952 35.483,954 60.557,957 400.217,959 400.217,960 63.401,961 50.29,964 400.217,965 50.29,968 53.134,969 10.267,972 400.217,973 50.29,974 63.401,977 400.217,978 45.75,979 17.65,981 50.29,982 400.217,983 50.29,984 63.401,986 0.51,987 0.267,988 0.117,989 0.056,990 2,991 2,992 0.283,993 15,996 3.427,997 107.568,1000 66.439,1005 19.351,1006 14.753,1007 13.145,1009 50.29,1018 513.908,1019 21,1024 23.297,1028 -0.261,1031 52.676,1032 61.477,1034 0.195,1035 0.279,1036 0.454,1037 0.59,1038 0.68,1039 0.706,1040 4.19,1041 0.618,1042 4.89,1043 1.427,1044 3.714,1045 3.892,1046 2.019,1047 5.38,1048 3.752,1049 5.182,1050 0.105,1051 6.256,1052 1.09,1053 2.565,1054 3.219,1056 5.666,1057 2.734,1058 6.332,1060 7.738,1061 0.176,1062 4.977,1063 5.468,1064 2.456,1065 8.767,1066 5.076,1067 7.524,1068 -0.592,1069 9.302,1071 4.796,1072 5.889,1074 10.125,1075 5.071,1076 8.771,1077 -0.618,1078 10.928,1079 -1.042,1080 6.518,1081 7.469,1082 2.912,1083 12.619,1084 6.716,1085 10.055,1086 -1.163,1087 12.598,1088 -1.09,1089 6.889,1090 8.382,1092 14.386,1093 7.257,1094 11.368,1095 -1.176,1096 14.3,1097 -2.288,1098 8.251,1099 9.716,1100 3.38,1101 16.653,1102 8.573,1103 2.71,1104 -1.414,1105 16.025,1106 -2.295,1107 8.928,1108 10.82,1110 18.582,1111 9.387,1112 1.902,1113 7.931,1114 17.765,1115 -3.133,1116 10.107,1117 12.068,1118 3.857,1119 20.75,1120 10.554,1121 1.841,1122 4.022,1123 19.514,1124 3.333,1125 10.943,1126 13.238,1128 22.751,1129 11.497,1130 1.618,1131 3.644,1132 21.271,1133 1.97,1134 12.032,1135 14.457,1136 4.338,1137 24.871,1138 12.597,1139 1.414,1140 3.372,1141 23.032,1142 1.849,1143 12.949,1144 15.65,1146 26.906,1147 13.597,1148 1.176,1149 2.693,1150 24.796,1151 1.732,1152 13.991,1153 16.859,1154 4.823,1155 29.002,1156 14.668,1157 0.806,1158 2.295,1159 26.562,1160 1.43,1161 14.948,1162 18.059,1164 31.055,1165 15.693,1166 4379,1167 5620,1168 11.901,1169 31.853,1170 24.671,1171 26.283,1172 25.604,1173 24.366,1174 24.382,1175 26.422,1176 5.11,1177 53.3,1178 24.841,1179 5.005,1180 5.767,1181 5.836,1182 4.734,1183 4.68,1184 5.333,1185 2.555,1186 13.661,1187 4.817,1188 11.577,1189 1.298,1190 1.383,1191 1.348,1192 1.282,1193 1.283,1194 1.391,1195 0.269,1196 2.805,1197 1.307,1198 3.865,1199 3.913,1200 3.752,1201 3.733,1202 7.496,1203 3.726,1204 3.76,1205 3.827,1206 3.59,1207 3.641,1208 7.352,1209 3.62,1210 3.689,1211 3.739,1212 3.544,1213 3.544,1214 4.237,1215 3.537,1216 3.553,1217 3.629,1218 3.36,1219 3.413,1220 4.197,1221 3.39,1222 3.42,1223 3.485,1224 3.235,1225 3.251,1226 4.021,1227 3.239,1228 3.243,1229 3.331,1230 3.017,1231 3.069,1232 4.001,1233 3.042,1234 3.074,1235 3.156,1236 2.839,1237 2.867,1238 3.7,1239 2.849,1240 2.881,1241 2.983,1242 2.628,1243 2.658,1244 3.652,1245 2.63,1246 0.212,1247 0.204,1248 0.309,1249 0.198,1250 0.143,1251 4.035,1252 0.175,1253 3.874,1254 0.067,1255 5.872,1256 0.417,1257 3.765,1258 0.15,1259 2.71,1260 3.333,1261 1.277,1262 7.931,1263 2.847,1264 1.826,1265 1.777,1266 2.061,1267 1.985,1268 1.407,1269 2.01,1270 1.79,1271 1.727,1272 2.046,1273 1.948,1274 1.396,1275 1.985,1276 1.681,1277 1.63,1278 1.927,1279 1.861,1280 1.214,1281 1.883,1282 1.585,1283 1.513,1284 1.878,1285 1.768,1286 1.177,1287 1.81,1288 1.42,1289 1.357,1290 1.703,1291 1.631,1292 0.93,1293 1.657,1294 1.275,1295 1.19,1296 1.623,1297 1.497,1298 0.873,1299 1.544,1300 1.078,1301 0.999,1302 1.421,1303 1.334,1304 0.61,1305 1.366,1306 0.911,1307 0.809,1308 1.328,1309 1.183,1310 0.547,1311 1.237,1312 3.664,1314 4.779,1316 6.047,1318 7.392,1320 8.784,1322 4.398,1328 14.899,1340 28.385,1341 60.732,1342 86.771,1343 141.215,1344 183.254,1345 211.254,1346 219.254,1347 118.64,1348 5.352,1349 34.14,1350 34.14,1352 10.849,1353 1.585,1354 1.585,1355 90.477,1356 84,1357 88,1358 0.502,1359 185.57,1360 332.26,1361 444.551,1362 1170,1364 15.054,1365 0.753,1366 0.686,1367 15.054,1368 13.716,1369 9.719,1370 0.512,1371 0.462,1372 8.752,1373 9.585,1374 8.492,1375 7.272,1376 9.719,1377 8.78,1378 7.067,1379 0.353,1380 0.294,1381 7.067,1382 5.882,1383 4.997,1384 0.25,1385 0.191,1386 4.997,1387 3.826,1388 3.062,1389 0.17,1390 0.134,1391 3.062,1392 2.411,1393 1.999,1394 0.118,1395 0.089,1396 1.999,1397 1.517,1398 0.839,1399 59.467,1400 0.29,1401 21.384,1402 1.241,1403 78,1404 185.471,1405 82.207,1406 176.002,1407 220.58,1408 162,1409 79,1410 139.273,1411 83.097,1412 139.909,1413 195.76,1414 132,1415 4}
{0 CHEMBL1812860,1 1.349,2 5.5,3 1.973,4 3.893,5 46.434,6 7.373,7 0.5,8 3.139,9 3.238,10 2.675,11 2.755,12 4.345,13 2.712,14 3.607,15 3.766,16 2.933,17 3.038,18 4.784,19 2.976,20 3.824,21 4.017,22 3.004,23 3.032,24 5.297,25 2.977,26 3.667,27 3.829,28 2.751,29 2.797,30 5.124,31 2.764,32 3.46,33 3.618,34 2.468,35 2.598,36 4.885,37 2.546,38 3.287,39 3.513,40 1.94,41 2.422,42 4.378,43 2.252,44 3.113,45 3.444,46 1.134,47 2.055,48 3.773,49 1.754,50 2.473,51 2.862,52 0.331,53 1.304,54 2.833,55 0.959,56 0.004,57 0.257,58 4.091,59 2.192,60 4.34,61 2.712,62 0.023,63 0.402,64 7.35,65 3.444,66 12.817,67 4.411,68 0.192,69 0.468,70 10.29,71 3.964,72 51.347,73 5.088,74 0.163,75 0.38,76 8.932,77 3.113,78 41.115,79 3.579,80 0.153,81 0.306,82 7.257,83 2.505,84 38.459,85 2.841,86 0.079,87 0.272,88 6.057,89 2.349,90 19.84,91 3.102,92 0.06,93 0.228,94 5.586,95 2.052,96 14.448,97 3.063,98 0.031,99 0.114,100 3.064,101 1.046,102 7.2,103 1.672,104 13,105 15,106 0.284,107 0.586,108 0.698,109 0.77,110 0.797,111 0.797,112 2.596,113 0.97,114 -2.99,115 -2.99,116 -2.88,121 45.5,122 1,123 1,144 5,145 1,158 1,159 1,176 7,180 2,187 6,191 1,192 5,200 4,206 5,214 3,219 3,227 4,232 1,239 3,251 1,281 116,282 7.975,283 7.975,284 7.975,285 7.975,286 7.975,287 7.04,288 4.144,289 4.838,290 7.921,291 5.812,292 5.812,293 5.812,294 5.812,295 5.812,296 4.326,297 2.635,298 2.184,299 5.686,300 3.111,301 1.674,302 1.142,303 0.796,304 0.671,305 0.671,306 3.193,311 1,312 1,313 127,314 2.739,318 40.116,325 0.833,326 16.378,329 1,330 0.83,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.85,337 26,338 66,339 4.273,340 3.853,341 6.325,342 3.961,343 2.924,344 3.778,345 1.277,346 9.351,347 3.027,348 3.584,349 2.956,350 5.058,351 3.173,352 2.146,353 2.949,355 5.722,356 2.197,357 2.939,358 2.159,359 3.785,360 2.501,361 1.48,362 2.065,364 3.165,365 1.507,366 2.5,367 1.323,368 3.249,369 2,370 1,371 1.5,373 2.136,374 1,375 2.358,376 1,377 3.247,378 1.838,379 0.783,380 1.101,382 1.661,383 0.82,384 1.466,385 1,386 2.286,387 1.184,388 0.1,389 0.128,391 0.136,392 0.107,393 0.75,394 -0.22,395 1.589,396 0.28,397 -0.751,398 -1.095,400 -1.609,401 -0.77,402 0.5,403 -0.664,404 1.555,406 -1,407 -1.5,409 -2.347,410 -1,411 0.205,412 -1,413 1.251,414 -0.189,415 -1.295,416 -1.709,418 -2.819,419 -1.427,420 -0.294,421 -1.134,422 1,423 -0.488,424 -1.525,425 -2,427 -4.036,428 -1.592,429 -0.5,430 -1.792,431 0.456,432 -0.859,433 -1.862,434 -2.218,436 -4.789,437 -1.868,438 -0.781,439 -2,440 0.198,441 -1,442 -2,443 -3,444 -1.277,445 -6.573,446 -2,474 5.667,475 0.472,476 0.247,477 0.021,478 15.5,479 1.292,480 9,481 0.75,482 6.5,483 0.542,484 6.284,485 0.524,486 12.933,487 0.588,488 9.258,489 0.771,490 3.189,491 0.266,492 2.564,493 0.214,494 0.206,496 0.265,501 0.478,502 1.05,503 0.771,504 1.047,505 0.52,506 0.979,507 0.572,508 1.123,509 0.805,510 1.114,511 0.621,512 1.022,513 0.857,514 0.964,515 0.803,516 0.948,517 0.862,518 0.879,519 1.91,520 1.018,521 1.27,522 0.996,523 1.863,524 1.009,525 2.048,526 0.996,527 1.447,528 0.992,529 2.004,530 1.087,531 0.984,532 1.182,533 1.316,534 1.214,535 0.976,536 1.309,537 0.342,538 0.918,539 0.924,540 0.955,541 0.349,542 1.034,543 0.048,544 0.64,545 0.551,546 0.665,547 0.058,548 0.697,549 2,551 1.556,552 0.813,553 0.351,554 0.181,555 0.1,556 0.028,559 718,560 2295,561 1.861,562 45.5,563 3,564 5,568 2,572 1.458,573 1.714,574 2.564,575 -0.807,579 1,582 29.669,583 1.349,584 2.785,585 3.318,586 3.664,587 3.789,588 3.789,589 1.918,590 2.855,591 3.558,592 2.555,593 168.65,594 5.857,595 1183.07,597 1,600 98.107,601 1.5,602 3.491,603 0.167,605 0.104,606 0.054,607 0.032,608 0.023,609 0.025,610 0.028,613 0.432,614 1,615 1,616 1.695,617 41.972,622 -0.036,624 0.036,625 -0.125,626 0.045,627 -0.111,628 -0.011,629 -0.045,630 0.204,631 -0.009,632 0.17,633 0.002,634 0.2,635 0.067,636 -0.313,637 -0.073,638 -0.244,639 -0.081,640 -0.26,641 -0.138,642 -0.406,643 -0.05,644 -0.424,645 -0.079,646 -0.355,647 -0.226,648 -0.146,649 -0.251,650 -0.375,651 -0.275,652 -0.141,653 -0.353,654 0.078,655 -0.028,656 0.058,657 -0.023,658 0.059,659 0.008,660 0.23,661 0.22,662 0.491,663 0.257,664 0.203,665 0.395,666 2.057,667 4.226,668 0.5,669 5.389,670 1.003,671 1.113,672 1.756,673 3.084,674 0.669,675 2.565,676 2.773,677 2.944,678 2.944,679 2.944,680 2.565,681 2.398,682 1.946,683 1.099,685 3.429,686 0.639,687 162.2,688 2.565,689 4.007,690 4.796,691 5.602,692 6.412,693 7.226,694 8.041,695 8.858,696 9.673,697 10.491,715 5,720 1,722 6,727 1,741 22,743 8,744 1,745 12,747 22,748 10,749 6,750 1,751 5,752 2,756 1,757 1,763 1,770 1,772 8,773 2,777 2,782 2,786 2,793 10,794 2,796 2,808 1,809 2,829 1,841 1,859 1,864 1,868 12,876 1,893 9.1,896 2,901 7,902 4.25,903 2.889,904 1.444,907 1.358,908 1.282,909 0.907,910 2.757,911 6.178,912 2.89,913 3.35,914 3.845,915 4.153,916 4.537,917 4.267,918 4.427,919 4.038,920 2.784,922 0.75,923 15,924 4.432,925 0.006,926 1.789,927 0.026,929 8.208,931 8.139,932 0.002,933 6.091,934 0.004,936 2.708,937 32.5,938 0.007,941 117.711,942 72.194,945 50.29,948 72.194,949 168.001,951 8.825,952 2.535,953 47.381,954 60.557,955 3.186,957 117.711,959 117.711,960 72.194,961 50.29,964 117.711,965 50.29,968 11.36,969 60.834,972 117.711,973 50.29,974 72.194,977 117.711,978 15.987,979 56.206,981 50.29,982 117.711,983 50.29,984 72.194,986 0.556,987 0.336,988 0.153,989 0.071,990 6,991 3,992 0.136,993 3,995 1,996 2.346,997 62.241,999 6,1000 39.02,1005 8.666,1006 3.818,1007 2.026,1009 50.29,1010 8.603,1015 0.476,1018 240.194,1019 17,1024 22.189,1028 -0.723,1031 22.073,1032 24.495,1034 0.302,1035 0.625,1036 0.744,1037 0.822,1038 0.85,1039 0.85,1040 4.034,1041 -1,1042 4.745,1043 -1.609,1044 3.434,1045 4.025,1046 1.45,1047 5.468,1048 3.484,1049 5.205,1050 -1.295,1051 6.271,1052 -2.347,1053 2.944,1054 3.651,1056 6.315,1057 3.063,1058 6.476,1059 -1.525,1060 7.911,1061 -2.819,1062 4.934,1063 6.09,1064 1.845,1065 9.359,1066 5.043,1067 7.789,1068 -1.862,1069 9.617,1070 -4.036,1071 5.303,1072 6.534,1074 11.033,1075 5.495,1076 9.135,1077 -2,1078 11.365,1079 -4.789,1080 6.756,1081 8.435,1082 2.271,1083 13.595,1084 6.936,1085 10.506,1087 13.14,1088 -6.573,1089 7.507,1090 9.255,1092 15.582,1093 7.762,1094 11.894,1096 14.933,1098 8.74,1099 10.916,1100 2.72,1101 17.966,1102 8.998,1103 2.924,1105 16.739,1107 9.666,1108 11.936,1110 20.086,1111 9.985,1112 2.146,1113 9.351,1114 18.554,1116 10.807,1117 13.468,1118 3.184,1119 22.392,1120 11.142,1121 1.48,1122 5.722,1123 20.376,1124 3.778,1125 11.812,1126 14.604,1128 24.573,1129 12.198,1130 1,1131 3.165,1132 22.203,1133 2.949,1134 12.913,1135 16.06,1136 3.658,1137 26.843,1138 13.324,1139 0.783,1140 2.136,1141 24.033,1142 2.065,1143 13.954,1144 17.267,1146 29.052,1147 14.409,1148 0.1,1149 1.661,1150 25.867,1151 1.5,1152 15.039,1153 18.677,1154 4.138,1155 31.305,1156 15.523,1157 -0.751,1158 0.136,1159 27.702,1160 1.101,1161 16.097,1162 19.929,1164 33.527,1165 16.62,1166 826,1167 1526,1168 7.455,1169 14.716,1170 17.239,1171 19.102,1172 18.329,1173 16.912,1174 16.865,1175 23.043,1176 2.555,1177 44.343,1178 17.316,1179 5.054,1180 5.853,1181 6.127,1182 4.961,1183 4.924,1184 6.778,1185 2.555,1186 15.924,1187 5.027,1188 6.199,1189 1.437,1190 1.592,1191 1.527,1192 1.409,1193 1.405,1194 1.92,1195 0.213,1196 3.695,1197 1.443,1198 3.935,1199 3.955,1200 3.879,1201 3.865,1202 7.496,1203 3.864,1204 3.625,1205 3.664,1206 3.527,1207 3.469,1208 7.352,1209 3.475,1210 3.181,1211 3.221,1212 3.024,1213 2.989,1214 4.724,1215 2.991,1216 2.854,1217 2.925,1218 2.687,1219 2.735,1220 3.987,1221 2.715,1222 2.731,1223 2.784,1224 2.583,1225 2.522,1226 3.674,1227 2.526,1228 2.372,1229 2.43,1230 2.244,1231 2.01,1232 3.576,1233 2.039,1234 2.061,1235 2.105,1236 1.688,1237 1.561,1238 2.825,1239 1.614,1240 1.602,1241 1.802,1242 1.039,1243 1.217,1244 2.146,1245 1.144,1246 0.356,1247 0.321,1248 0.527,1249 0.33,1250 0.244,1251 4.273,1252 0.315,1253 3.853,1254 0.106,1255 6.325,1256 0.779,1257 3.961,1258 0.252,1259 2.924,1260 3.778,1261 1.277,1262 9.351,1263 3.027,1264 1.912,1265 1.891,1266 2.026,1267 2.003,1268 1.1,1269 2.009,1270 1.597,1271 1.554,1272 1.851,1273 1.786,1274 0.996,1275 1.806,1276 1.129,1277 1.09,1278 1.319,1279 1.369,1280 0.323,1281 1.353,1282 0.886,1283 0.821,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.698,1289 0.639,1290 1.039,1291 0.951,1292 0.143,1293 0.975,1294 0.29,1295 0.203,1296 0.698,1297 0.666,1299 0.687,1302 0.381,1303 0.381,1305 0.272,1308 0.291,1309 0.133,1311 0.23,1312 3.219,1314 4.443,1316 5.889,1318 7.42,1320 8.99,1322 1.684,1328 0.272,1340 14.064,1341 29.669,1342 61.279,1343 72.988,1344 80.598,1345 83.353,1346 83.353,1347 23.626,1348 4.82,1349 34.14,1350 34.14,1351 6,1352 11.074,1353 3.17,1354 2.585,1355 21.844,1356 24,1357 22,1358 0.486,1359 92.656,1360 162.68,1361 217.841,1362 466,1364 8.975,1365 0.748,1366 0.576,1367 8.975,1368 6.91,1369 5.753,1370 0.479,1371 0.323,1372 3.852,1373 5.623,1374 3.725,1375 3.148,1376 5.753,1377 3.88,1378 4.643,1379 0.31,1380 0.165,1381 4.643,1382 2.472,1383 3.935,1384 0.219,1385 0.089,1386 3.935,1387 1.61,1388 2.496,1389 0.139,1390 0.051,1391 2.496,1392 0.911,1393 1.672,1394 0.093,1395 0.029,1396 1.672,1397 0.53,1398 0.707,1399 35.674,1400 0.366,1401 12.133,1402 1.474,1403 54,1404 193.471,1405 58.207,1406 185.088,1407 237.07,1408 170,1409 60,1410 157.273,1411 64.429,1412 159.502,1413 228.48,1414 150,1415 4}
{0 CHEMBL1812861,1 1.321,2 6.154,3 2.429,4 5.901,5 51.035,6 7.049,7 0.462,8 3.256,9 3.364,10 2.752,11 2.861,12 4.41,13 2.809,14 3.75,15 3.922,16 3.002,17 3.159,18 4.858,19 3.079,20 3.991,21 4.208,22 3.069,23 3.172,24 5.345,25 3.089,26 3.859,27 4.059,28 2.895,29 2.96,30 5.211,31 2.908,32 3.651,33 3.802,34 2.676,35 2.772,36 5.106,37 2.733,38 3.51,39 3.717,40 2.238,41 2.651,42 4.67,43 2.513,44 3.345,45 3.628,46 1.722,47 2.468,48 4.086,49 2.221,50 3.136,51 3.49,52 1.102,53 2.07,54 3.651,55 1.746,56 0.002,57 0.298,58 4.985,59 2.557,60 4.453,61 3.254,62 0.02,63 0.47,64 8.905,65 4.054,66 12.306,67 5.333,68 0.195,69 0.555,70 12.452,71 4.745,72 54.928,73 6.326,74 0.148,75 0.464,76 11.142,77 3.867,78 41.508,79 4.861,80 0.177,81 0.366,82 9.041,83 2.973,84 46.27,85 3.441,86 0.126,87 0.333,88 7.744,89 2.821,90 32.669,91 3.628,92 0.046,93 0.296,94 6.44,95 2.639,96 12.823,97 3.801,98 0.039,99 0.23,100 5.49,101 2.09,102 10.122,103 3.19,104 14,105 16,106 0.269,107 0.581,108 0.725,109 0.787,110 0.81,111 0.81,112 2.665,113 1.011,114 -3.28,115 -3.27,116 -3.13,121 44,122 1,123 2,144 5,145 1,158 1,159 1,176 8,180 2,187 7,191 1,192 5,200 4,206 6,214 3,219 4,227 5,232 1,239 5,251 3,264 1,281 156,282 8.682,283 8.682,284 8.682,285 8.682,286 8.682,287 7.747,288 4.144,289 5.443,290 8.628,291 6.35,292 6.35,293 6.35,294 6.35,295 6.35,296 4.887,297 2.635,298 2.479,299 6.229,300 3.323,301 1.795,302 1.085,303 0.78,304 0.67,305 0.67,306 3.271,311 1,312 1,313 155,314 2.915,318 44.871,325 0.959,326 17.158,329 1,330 0.83,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.85,337 28,338 80,339 4.275,340 3.855,341 6.328,342 3.964,343 2.927,344 3.778,345 1.277,346 9.372,347 3.031,348 3.592,349 2.96,350 5.079,351 3.193,352 2.168,353 2.955,355 5.84,356 2.216,357 2.954,358 2.16,359 3.839,360 2.546,361 1.528,362 2.082,364 3.262,365 1.552,366 2.5,367 1.353,368 3.354,369 2.087,370 1.071,371 1.5,373 2.136,374 1.086,375 2.404,376 1.323,377 3.247,378 2,379 1,380 1.275,382 2.094,383 1,384 2.037,385 1,386 2.668,387 1.617,388 0.521,389 0.746,391 0.96,392 0.566,393 0.75,394 0.241,395 1.893,396 0.462,397 -0.59,398 -0.679,400 -0.899,401 -0.615,402 0.669,403 -0.348,404 1.555,405 0.28,406 -0.751,407 -1.102,409 -1.609,410 -0.773,411 0.5,412 -0.883,413 1.395,415 -1,416 -1.5,418 -2.347,419 -1,420 0.104,421 -1,422 1.213,423 -0.251,424 -1.349,425 -1.838,427 -3.17,428 -1.486,429 -0.45,430 -1.375,431 1,432 -0.611,433 -1.637,434 -2,436 -4.236,437 -1.685,438 -0.5,439 -1.807,440 0.231,441 -0.888,442 -1.889,443 -2.218,445 -4.789,446 -1.891,447 -0.835,448 -2,449 0.198,450 -1,451 -2,452 -3,453 -1.277,454 -6.613,455 -2,474 6.167,475 0.474,476 0.247,477 0.019,478 16,479 1.231,480 9,481 0.692,482 7,483 0.538,484 7.625,485 0.587,486 14.233,487 0.569,488 9.663,489 0.743,490 3.189,491 0.245,492 3.064,493 0.236,494 0.189,496 0.243,501 0.48,502 1.091,503 0.82,504 1.088,505 0.512,506 1.023,507 0.56,508 1.16,509 0.857,510 1.152,511 0.597,512 1.069,513 0.803,514 0.956,515 0.8,516 0.944,517 0.823,518 0.883,519 1.662,520 0.955,521 1.038,522 0.925,523 1.636,524 0.885,525 2.44,526 1.003,527 1.492,528 0.989,529 2.389,530 1.068,531 1.55,532 1.033,533 1.425,534 1.058,535 1.523,536 1.196,537 0.335,538 1.139,539 1.087,540 1.178,541 0.339,542 1.246,543 0.073,544 0.891,545 0.766,546 0.92,547 0.082,548 0.953,549 2,551 1.556,552 0.938,553 0.431,554 0.181,555 0.1,556 0.043,557 0.02,559 931,560 2672,561 1.872,562 48,563 5,564 5,568 2,572 1.485,573 1.733,574 2.699,575 -0.822,579 1,582 33.023,583 1.321,584 2.849,585 3.559,586 3.863,587 3.974,588 3.974,589 2.2,590 3.393,591 3.67,592 2.725,593 212.566,594 6.083,595 1581.63,597 1,600 116.096,601 1.457,602 3.613,603 0.154,605 0.097,606 0.059,607 0.033,608 0.018,609 0.017,610 0.014,611 0.02,613 0.412,614 0.83,615 1,616 1.911,617 47.684,622 -0.024,624 0.038,625 -0.139,626 0.018,627 -0.127,628 0.004,629 -0.069,630 0.216,631 0.001,632 0.175,633 0.013,634 0.195,635 0.075,636 -0.169,637 -0.012,639 -0.002,640 -0.139,641 0.023,642 -0.448,643 -0.047,644 -0.418,645 -0.076,646 -0.383,647 -0.216,648 -0.306,649 -0.084,650 -0.441,651 -0.121,652 -0.274,653 -0.276,654 0.018,655 -0.21,656 -0.196,657 -0.221,658 0.004,659 -0.241,660 0.152,661 -0.013,662 0.159,663 0.001,664 0.125,665 0.069,666 2.039,667 4.385,668 0.462,669 6.615,670 0.998,671 1.116,672 2.048,673 4.193,674 0.659,675 2.639,676 2.833,677 2.996,678 3.045,679 3.045,680 2.708,681 2.565,682 2.197,683 1.609,684 1.099,685 3.766,686 0.624,687 176.23,688 2.639,689 4.078,690 4.86,691 5.666,692 6.472,693 7.288,694 8.101,695 8.92,696 9.736,697 10.556,715 5,720 1,722 6,727 1,741 25,743 8,744 1,745 13,747 25,748 11,749 6,750 1,751 5,752 2,756 1,757 1,763 1,770 2,772 8,773 3,777 2,782 2,786 2,793 12,794 2,796 2,808 1,809 2,829 1,841 1,859 1,864 1,868 13,876 2,893 8,896 2,901 7.5,902 4.75,903 3.139,904 1.694,907 1.32,908 1.266,909 0.906,910 3.389,911 6.276,912 2.944,913 3.384,914 3.866,915 4.199,916 4.569,917 4.308,918 4.479,919 4.15,920 3.27,921 2.784,922 1,923 16,924 4.819,925 -0.003,926 1.941,927 0.026,929 8.115,931 8.955,932 -0.001,933 6.757,934 -0.002,936 2.615,937 34,938 0.006,941 141.253,942 74.728,945 50.29,948 74.728,949 191.543,951 8.825,952 5.069,953 47.381,954 60.557,955 3.186,957 141.253,959 141.253,960 74.728,961 50.29,964 141.253,965 50.29,968 13.894,969 60.834,972 141.253,973 50.29,974 74.728,977 141.253,978 18.522,979 56.206,981 50.29,982 141.253,983 50.29,984 74.728,986 0.547,987 0.321,988 0.162,989 0.077,990 6,991 3,992 0.16,993 4,995 1,996 2.477,997 69.396,999 6,1000 44.106,1005 9.658,1006 4.561,1007 2.516,1009 50.29,1010 8.659,1015 0.487,1018 266.271,1019 18,1024 22.579,1028 -0.67,1031 24.956,1032 27.91,1034 0.284,1035 0.614,1036 0.766,1037 0.832,1038 0.856,1039 0.856,1040 4.086,1041 -0.751,1042 4.796,1043 -0.899,1044 3.497,1045 4.06,1046 1.45,1047 5.509,1048 3.544,1049 5.243,1050 -1,1051 6.308,1052 -1.609,1053 2.944,1054 3.651,1056 6.315,1057 3.063,1058 6.505,1059 -1.349,1060 7.938,1061 -2.347,1062 4.977,1063 6.103,1064 1.845,1065 9.387,1066 5.081,1067 7.81,1068 -1.637,1069 9.637,1070 -3.17,1071 5.303,1072 6.534,1074 11.045,1075 5.495,1076 9.151,1077 -1.889,1078 11.38,1079 -4.236,1080 6.786,1081 8.442,1082 2.271,1083 13.619,1084 6.962,1085 10.518,1086 -2,1087 13.153,1088 -4.789,1089 7.515,1090 9.258,1092 15.598,1093 7.77,1094 11.905,1096 14.944,1097 -6.613,1098 8.763,1099 10.921,1100 2.72,1101 17.989,1102 9.018,1103 2.927,1105 16.749,1107 9.678,1108 11.939,1110 20.106,1111 9.997,1112 2.168,1113 9.372,1114 18.564,1116 10.826,1117 13.471,1118 3.184,1119 22.417,1120 11.159,1121 1.528,1122 5.84,1123 20.385,1124 3.778,1125 11.827,1126 14.607,1128 24.597,1129 12.212,1130 1.071,1131 3.262,1132 22.212,1133 2.955,1134 12.932,1135 16.063,1136 3.658,1137 26.871,1138 13.341,1139 1,1140 2.136,1141 24.042,1142 2.082,1143 13.972,1144 17.271,1146 29.081,1147 14.425,1148 0.521,1149 2.094,1150 25.876,1151 1.5,1152 15.059,1153 18.68,1154 4.138,1155 31.337,1156 15.541,1157 -0.59,1158 0.96,1159 27.711,1160 1.275,1161 16.117,1162 19.933,1164 33.561,1165 16.639,1166 1053,1167 1844,1168 8.148,1169 16.477,1170 18.907,1171 20.244,1172 19.492,1173 18.445,1174 18.431,1175 24.674,1176 2.555,1177 47.325,1178 18.899,1179 5.11,1180 5.855,1181 6.13,1182 4.964,1183 4.927,1184 6.778,1185 2.555,1186 15.985,1187 5.031,1188 6.659,1189 1.454,1190 1.557,1191 1.499,1192 1.419,1193 1.418,1194 1.898,1195 0.197,1196 3.64,1197 1.454,1198 3.938,1199 3.958,1200 3.882,1201 3.866,1202 7.496,1203 3.865,1204 3.673,1205 3.722,1206 3.558,1207 3.533,1208 7.352,1209 3.529,1210 3.322,1211 3.356,1212 3.18,1213 3.13,1214 4.724,1215 3.138,1216 2.885,1217 2.95,1218 2.731,1219 2.735,1220 4.086,1221 2.715,1222 2.854,1223 2.925,1224 2.687,1225 2.701,1226 3.674,1227 2.692,1228 2.539,1229 2.614,1230 2.326,1231 2.277,1232 3.586,1233 2.275,1234 2.265,1235 2.3,1236 2.102,1237 1.824,1238 3.294,1239 1.878,1240 1.96,1241 2.072,1242 1.466,1243 1.504,1244 2.432,1245 1.5,1246 0.329,1247 0.297,1248 0.487,1249 0.305,1250 0.225,1251 4.275,1252 0.291,1253 3.855,1254 0.098,1255 6.328,1256 0.721,1257 3.964,1258 0.233,1259 2.927,1260 3.778,1261 1.277,1262 9.372,1263 3.031,1264 1.913,1265 1.892,1266 2.029,1267 2.005,1268 1.188,1269 2.012,1270 1.667,1271 1.615,1272 1.923,1273 1.84,1274 1.065,1275 1.869,1276 1.263,1277 1.228,1278 1.483,1279 1.497,1280 0.562,1281 1.488,1282 0.886,1283 0.821,1284 1.181,1285 1.117,1286 0.251,1287 1.143,1288 0.88,1289 0.811,1290 1.18,1291 1.062,1292 0.218,1293 1.107,1294 0.505,1295 0.433,1296 0.866,1297 0.809,1299 0.829,1300 0.142,1301 0.041,1302 0.664,1303 0.563,1305 0.599,1308 0.381,1309 0.363,1311 0.269,1312 3.296,1314 4.511,1316 5.943,1318 7.466,1320 9.032,1322 1.885,1328 1.061,1340 15.59,1341 33.023,1342 71.226,1343 88.977,1344 96.587,1345 99.342,1346 99.342,1347 28.009,1348 4.956,1349 34.14,1350 34.14,1351 6,1352 11.138,1353 3.17,1354 2.585,1355 24.786,1356 28,1357 30,1358 0.456,1359 102.248,1360 179.98,1361 241.246,1362 570,1364 9.682,1365 0.745,1366 0.586,1367 9.682,1368 7.617,1369 6.253,1370 0.481,1371 0.337,1372 4.352,1373 6.123,1374 4.213,1375 3.576,1376 6.253,1377 4.38,1378 5.023,1379 0.314,1380 0.179,1381 5.023,1382 2.868,1383 4.035,1384 0.212,1385 0.093,1386 4.035,1387 1.766,1388 2.843,1389 0.142,1390 0.055,1391 2.843,1392 1.091,1393 1.878,1394 0.094,1395 0.031,1396 1.878,1397 0.614,1398 0.676,1399 38.674,1400 0.35,1401 13.276,1402 1.344,1403 58,1404 197.471,1405 62.207,1406 189.333,1407 242.87,1408 174,1409 64,1410 161.273,1411 68.429,1412 163.842,1413 234.74,1414 154,1415 4}
{0 CHEMBL1812862,1 1.296,2 6.929,3 2.885,4 8.326,5 55.636,6 6.795,7 0.429,8 3.362,9 3.476,10 2.824,11 2.957,12 4.472,13 2.897,14 3.875,15 4.057,16 3.067,17 3.266,18 4.927,19 3.172,20 4.134,21 4.368,22 3.131,23 3.294,24 5.401,25 3.19,26 4.02,27 4.243,28 2.968,29 3.109,30 5.264,31 3.028,32 3.846,33 4.038,34 2.831,35 2.94,36 5.195,37 2.882,38 3.693,39 3.885,40 2.493,41 2.817,42 4.937,43 2.705,44 3.557,45 3.812,46 2.082,47 2.688,48 4.46,49 2.489,50 3.363,51 3.666,52 1.705,53 2.478,54 3.998,55 2.216,56 0.008,57 0.338,58 5.856,59 2.917,60 4.234,61 3.786,62 0.032,63 0.538,64 10.403,65 4.653,66 11.391,67 6.232,68 0.213,69 0.639,70 14.469,71 5.503,72 55.997,73 7.505,74 0.161,75 0.547,76 13.151,77 4.617,78 42.835,79 6.065,80 0.176,81 0.449,82 11.14,83 3.716,84 45.341,85 4.679,86 0.16,87 0.392,88 9.443,89 3.284,90 39.977,91 4.193,92 0.098,93 0.356,94 8.04,95 3.106,96 24.125,97 4.302,98 0.033,99 0.301,100 6.441,101 2.702,102 9.179,103 3.963,104 15,105 17,106 0.257,107 0.558,108 0.719,109 0.801,110 0.82,111 0.82,112 2.73,113 1.046,114 -3.56,115 -3.53,116 -3.37,121 42.9,122 1,123 3,144 5,145 1,158 1,159 1,176 9,180 2,187 8,191 1,192 5,200 5,206 6,214 3,219 5,227 5,232 2,239 6,251 5,264 3,277 1,281 200,282 9.389,283 9.389,284 9.389,285 9.389,286 9.389,287 8.454,288 4.144,289 5.968,290 9.335,291 6.85,292 6.85,293 6.85,294 6.85,295 6.85,296 5.387,297 2.635,298 2.773,299 6.729,300 3.512,301 1.991,302 1.183,303 0.768,304 0.67,305 0.67,306 3.345,311 1,312 1,313 189,314 3.082,318 49.744,325 1.082,326 17.708,329 1,330 0.83,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.85,337 30,338 97,339 4.275,340 3.855,341 6.328,342 3.965,343 2.928,344 3.778,345 1.277,346 9.373,347 3.031,348 3.594,349 2.961,350 5.081,351 3.2,352 2.176,353 2.956,355 5.857,356 2.222,357 2.962,358 2.16,359 3.87,360 2.603,361 1.591,362 2.089,364 3.339,365 1.608,366 2.504,367 1.564,368 3.446,369 2.317,370 1.302,371 1.5,373 2.556,374 1.319,375 2.5,376 1.323,377 3.247,378 2,379 1,380 1.478,382 2.136,383 1,384 2.265,385 1,386 3,387 1.748,388 0.676,389 0.963,391 1.418,392 0.718,393 1.291,394 0.689,395 2.227,396 1.12,397 0.067,398 0.078,400 0.101,401 0.07,402 0.75,403 -0.189,404 1.641,405 0.28,406 -0.75,407 -1.064,409 -1.608,410 -0.769,411 0.5,412 -0.521,413 1.555,414 0.052,415 -1,416 -1.164,418 -1.802,419 -1,420 0.309,421 -0.985,422 1.27,424 -1,425 -1.5,427 -2.347,428 -1.042,429 -0.031,430 -1,431 1,432 -0.293,433 -1.376,434 -1.897,436 -3.307,437 -1.504,438 -0.5,439 -1.557,440 1,441 -0.683,442 -1.703,443 -2,445 -4.309,446 -1.742,447 -0.546,448 -1.821,449 0.198,450 -0.91,451 -1.911,452 -2.218,454 -4.789,455 -1.911,456 -0.873,457 -2,458 0.137,459 -1,460 -2,461 -3,462 -1.277,463 -6.618,464 -2,474 6.667,475 0.476,476 0.247,477 0.018,478 16.5,479 1.179,480 9,481 0.643,482 7.5,483 0.536,484 9.026,485 0.645,486 15.533,487 0.555,488 10.009,489 0.715,490 3.189,491 0.228,492 3.564,493 0.255,494 0.175,496 0.225,501 0.484,502 1.125,503 0.863,504 1.123,505 0.507,506 1.06,507 0.554,508 1.19,509 0.901,510 1.183,511 0.579,512 1.107,513 0.766,514 0.953,515 0.802,516 0.942,517 0.778,518 0.887,519 1.536,520 0.95,521 1.002,522 0.926,523 1.53,524 0.89,525 2.093,526 0.941,527 1.213,528 0.918,529 2.068,530 0.932,531 1.995,532 1.036,533 1.476,534 1.046,535 1.962,536 1.164,537 0.969,538 1.01,539 1.231,540 1.043,541 0.955,542 1.157,543 0.099,544 1.113,545 0.96,546 1.145,547 0.106,548 1.176,549 2,551 1.556,552 0.938,553 0.511,554 0.236,555 0.1,556 0.043,557 0.033,558 0.016,559 1196,560 3137,561 1.88,562 50,563 7,564 5,568 2,572 1.507,573 1.75,574 2.84,575 -0.835,579 1,582 36.283,583 1.296,584 2.816,585 3.625,586 4.039,587 4.138,588 4.138,589 2.271,590 3.236,591 3.775,592 2.893,593 263.246,594 6.289,595 2081.68,597 1,600 134.606,601 1.414,602 3.726,603 0.143,605 0.092,606 0.055,607 0.037,608 0.02,609 0.013,610 0.009,611 0.011,612 0.016,613 0.393,614 0.83,615 1,616 2.108,617 53.673,622 -0.015,624 0.038,625 -0.15,626 -0.005,627 -0.14,628 0.014,629 -0.088,630 0.222,631 0.006,632 0.171,633 0.017,634 0.208,635 0.077,636 -0.121,637 -0.007,638 0.028,639 0.004,640 -0.111,641 0.033,642 -0.275,643 0.008,644 -0.139,645 0.003,646 -0.238,647 -0.041,648 -0.368,649 -0.077,650 -0.44,651 -0.111,652 -0.322,653 -0.261,654 -0.163,655 -0.065,656 -0.292,657 -0.091,658 -0.15,659 -0.194,660 0.081,661 -0.183,662 -0.094,663 -0.185,664 0.06,665 -0.168,666 2.029,667 4.501,668 0.429,669 8.041,670 0.994,671 1.119,672 2.329,673 5.423,674 0.651,675 2.708,676 2.89,677 3.045,678 3.091,679 3.135,680 2.833,681 2.708,682 2.398,683 1.946,684 1.609,685 4.147,686 0.611,687 190.26,688 2.708,689 4.143,690 4.92,691 5.72,692 6.524,693 7.335,694 8.147,695 8.963,696 9.779,697 10.597,715 5,720 1,722 6,727 1,741 28,743 8,744 1,745 14,747 28,748 12,749 6,750 1,751 5,752 2,756 1,757 1,763 1,770 3,772 8,773 4,777 2,782 2,786 2,790 1,793 14,794 2,796 2,808 1,809 2,829 1,841 1,859 1,864 1,868 14,876 3,893 7.1,896 2,901 8,902 5.25,903 3.389,904 1.944,907 1.286,908 1.253,909 0.905,910 4.058,911 6.367,912 2.996,913 3.418,914 3.887,915 4.214,916 4.6,917 4.348,918 4.513,919 4.219,920 3.498,921 3.27,922 0.8,923 17,924 5.203,925 0.002,926 2.09,927 0.026,929 8.036,931 9.772,932 0.001,933 7.424,934 0.001,936 2.536,937 35.5,938 0.005,941 164.795,942 77.263,945 50.29,948 77.263,949 215.085,951 8.825,952 7.604,953 47.381,954 60.557,955 3.186,957 164.795,959 164.795,960 77.263,961 50.29,964 164.795,965 50.29,968 16.429,969 60.834,972 164.795,973 50.29,974 77.263,977 164.795,978 21.056,979 56.206,981 50.29,982 164.795,983 50.29,984 77.263,986 0.544,987 0.313,988 0.153,989 0.081,990 6,991 3,992 0.179,993 5,995 1,996 2.612,997 76.457,999 6,1000 49.303,1005 10.651,1006 5.333,1007 3.101,1009 50.29,1010 8.701,1015 0.494,1018 292.348,1019 19,1024 22.854,1028 -0.642,1031 27.84,1032 31.325,1034 0.27,1035 0.586,1036 0.754,1037 0.84,1038 0.861,1039 0.861,1040 4.135,1041 -0.75,1042 4.844,1043 0.101,1044 3.555,1045 4.094,1046 1.45,1047 5.541,1048 3.6,1049 5.279,1050 -1,1051 6.344,1052 -1.608,1053 2.944,1054 3.651,1056 6.315,1057 3.063,1058 6.533,1059 -1,1060 7.962,1061 -1.802,1062 5.017,1063 6.116,1064 1.845,1065 9.396,1066 5.118,1067 7.83,1068 -1.376,1069 9.653,1070 -2.347,1071 5.303,1072 6.534,1074 11.045,1075 5.495,1076 9.166,1077 -1.703,1078 11.391,1079 -3.307,1080 6.808,1081 8.446,1082 2.271,1083 13.622,1084 6.981,1085 10.529,1086 -1.911,1087 13.159,1088 -4.309,1089 7.515,1090 9.258,1092 15.599,1093 7.77,1094 11.912,1095 -2,1096 14.949,1097 -4.789,1098 8.775,1099 10.922,1100 2.72,1101 17.991,1102 9.028,1103 2.928,1105 16.752,1106 -6.618,1107 9.679,1108 11.94,1110 20.107,1111 9.998,1112 2.176,1113 9.373,1114 18.566,1116 10.833,1117 13.472,1118 3.184,1119 22.419,1120 11.165,1121 1.591,1122 5.857,1123 20.387,1124 3.778,1125 11.829,1126 14.608,1128 24.599,1129 12.214,1130 1.302,1131 3.339,1132 22.213,1133 2.956,1134 12.937,1135 16.064,1136 3.658,1137 26.873,1138 13.345,1139 1,1140 2.556,1141 24.043,1142 2.089,1143 13.975,1144 17.272,1146 29.082,1147 14.428,1148 0.676,1149 2.136,1150 25.877,1151 1.5,1152 15.063,1153 18.681,1154 4.138,1155 31.338,1156 15.545,1157 0.067,1158 1.418,1159 27.712,1160 1.478,1161 16.12,1162 19.933,1164 33.562,1165 16.642,1166 1332,1167 2232,1168 8.841,1169 18.239,1170 19.914,1171 21.625,1172 20.802,1173 19.508,1174 19.479,1175 25.685,1176 2.555,1177 49.561,1178 19.937,1179 5.148,1180 5.855,1181 6.191,1182 4.965,1183 4.928,1184 6.778,1185 2.555,1186 15.991,1187 5.031,1188 7.116,1189 1.422,1190 1.545,1191 1.486,1192 1.393,1193 1.391,1194 1.835,1195 0.182,1196 3.54,1197 1.424,1198 3.939,1199 3.96,1200 3.883,1201 3.867,1202 7.496,1203 3.866,1204 3.708,1205 3.763,1206 3.58,1207 3.578,1208 7.352,1209 3.568,1210 3.423,1211 3.458,1212 3.292,1213 3.24,1214 4.724,1215 3.249,1216 3.03,1217 3.095,1218 2.853,1219 2.849,1220 4.138,1221 2.837,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.674,1227 2.715,1228 2.694,1229 2.76,1230 2.501,1231 2.474,1232 3.63,1233 2.471,1234 2.396,1235 2.48,1236 2.238,1237 2.071,1238 3.536,1239 2.075,1240 2.165,1241 2.215,1242 1.839,1243 1.704,1244 2.825,1245 1.749,1246 0.305,1247 0.275,1248 0.452,1249 0.283,1250 0.209,1251 4.275,1252 0.27,1253 3.855,1254 0.091,1255 6.328,1256 0.669,1257 3.965,1258 0.217,1259 2.928,1260 3.778,1261 1.277,1262 9.373,1263 3.031,1264 1.914,1265 1.893,1266 2.032,1267 2.007,1268 1.271,1269 2.014,1270 1.713,1271 1.658,1272 1.965,1273 1.876,1274 1.075,1275 1.909,1276 1.375,1277 1.336,1278 1.626,1279 1.595,1280 0.776,1281 1.599,1282 1.021,1283 0.959,1284 1.27,1285 1.257,1286 0.323,1287 1.268,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.674,1295 0.604,1296 1.05,1297 0.939,1298 0.185,1299 0.973,1300 0.36,1301 0.261,1302 0.775,1303 0.712,1305 0.742,1306 0.05,1308 0.643,1309 0.492,1311 0.54,1312 3.367,1314 4.575,1316 5.994,1318 7.505,1320 9.063,1322 2,1328 2.093,1340 17.117,1341 36.283,1342 78.857,1343 101.487,1344 113.096,1345 115.851,1346 115.851,1347 32.317,1348 5.081,1349 34.14,1350 34.14,1351 6,1352 11.18,1353 3.17,1354 2.585,1355 27.926,1356 33,1357 38,1358 0.425,1359 111.841,1360 197.28,1361 264.651,1362 692,1364 10.389,1365 0.742,1366 0.595,1367 10.389,1368 8.325,1369 6.753,1370 0.482,1371 0.349,1372 4.852,1373 6.623,1374 4.703,1375 3.993,1376 6.753,1377 4.88,1378 5.377,1379 0.316,1380 0.19,1381 5.377,1382 3.222,1383 4.304,1384 0.215,1385 0.102,1386 4.304,1387 2.047,1388 2.914,1389 0.139,1390 0.057,1391 2.914,1392 1.201,1393 2.123,1394 0.097,1395 0.034,1396 2.123,1397 0.741,1398 0.644,1399 41.674,1400 0.336,1401 14.429,1402 1.216,1403 62,1404 201.471,1405 66.207,1406 193.494,1407 248.63,1408 178,1409 68,1410 165.273,1411 72.429,1412 168.004,1413 240.52,1414 158,1415 4}
{0 CHEMBL1812863,1 1.273,2 7.667,3 3.342,4 11.166,5 60.237,6 6.59,7 0.4,8 3.457,9 3.576,10 2.891,11 3.045,12 4.531,13 2.978,14 3.986,15 4.175,16 3.128,17 3.363,18 4.992,19 3.257,20 4.259,21 4.506,22 3.189,23 3.403,24 5.455,25 3.282,26 4.159,27 4.398,28 3.035,29 3.239,30 5.325,31 3.135,32 4.009,33 4.225,34 2.908,35 3.091,36 5.248,37 3.005,38 3.88,39 4.104,40 2.676,41 2.977,42 5.041,43 2.858,44 3.732,45 3.966,46 2.374,47 2.849,48 4.781,49 2.686,50 3.572,51 3.844,52 2.069,53 2.696,54 4.401,55 2.485,56 0.014,57 0.379,58 6.71,59 3.274,60 3.861,61 4.311,62 0.043,63 0.604,64 11.857,65 5.244,66 10.287,67 7.112,68 0.228,69 0.722,70 16.383,71 6.247,72 56.398,73 8.643,74 0.172,75 0.629,76 15.056,77 5.353,78 42.815,79 7.221,80 0.186,81 0.532,82 13.093,83 4.465,84 45.447,85 5.869,86 0.159,87 0.473,88 11.387,89 4.014,90 38.312,91 5.353,92 0.131,93 0.415,94 9.68,95 3.562,96 31.365,97 4.837,98 0.082,99 0.36,100 8.043,101 3.169,102 19.547,103 4.477,104 16,105 18,106 0.246,107 0.534,108 0.705,109 0.812,110 0.829,111 0.829,112 2.791,113 1.076,114 -3.83,115 -3.79,116 -3.6,121 41.9,122 1,123 4,144 5,145 1,158 1,159 1,176 10,180 2,187 9,191 1,192 5,200 6,206 6,214 4,219 5,227 5,232 3,239 6,244 1,251 6,264 5,277 3,281 247,282 10.096,283 10.096,284 10.096,285 10.096,286 10.096,287 9.161,288 4.144,289 6.468,290 10.042,291 7.35,292 7.35,293 7.35,294 7.35,295 7.35,296 5.887,297 2.635,298 3.027,299 7.229,300 3.681,301 2.194,302 1.311,303 0.758,304 0.67,305 0.67,306 3.413,311 1,312 1,313 225,314 3.24,318 54.714,325 1.289,326 18.262,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 32,338 115,339 4.275,340 3.855,341 6.328,342 3.965,343 2.928,344 3.778,345 1.277,346 9.373,347 3.032,348 3.594,349 2.961,350 5.082,351 3.202,352 2.179,353 2.956,355 5.86,356 2.224,357 2.967,358 2.16,359 3.89,360 2.679,361 1.671,362 2.092,364 3.426,365 1.683,366 2.631,367 1.693,368 3.546,369 2.431,370 1.414,371 1.628,373 2.889,374 1.435,375 2.5,376 1.323,377 3.247,378 2,379 1,380 1.5,382 2.136,383 1,384 2.33,385 1,386 3.19,387 1.874,388 0.841,389 1.081,391 1.74,392 0.864,393 1.731,394 1,395 2.514,396 1.512,397 0.438,398 0.553,400 0.771,401 0.467,402 0.766,403 0.177,404 1.913,405 0.625,406 -0.412,407 -0.456,409 -0.661,410 -0.425,411 0.748,412 -0.324,413 1.555,414 0.28,415 -0.751,416 -1.094,418 -1.609,419 -0.771,420 0.5,421 -0.764,422 1.479,424 -1,425 -1.392,427 -2.347,428 -1,429 0.176,430 -1,431 1.242,432 -0.151,433 -1.224,434 -1.5,436 -2.435,437 -1.287,438 -0.203,439 -1.099,440 1,441 -0.361,442 -1.414,443 -1.929,445 -3.398,446 -1.52,447 -0.5,448 -1.665,449 0.726,450 -0.729,451 -1.744,452 -2,454 -4.337,455 -1.775,456 -0.616,457 -1.837,458 0.198,459 -0.927,460 -1.927,461 -2.218,463 -4.789,464 -1.928,465 -0.9,466 -2,467 0.09,468 -1,469 -2,470 -3,471 -1.277,472 -6.619,473 -2,474 7.167,475 0.478,476 0.247,477 0.016,478 17,479 1.133,480 9,481 0.6,482 8,483 0.533,484 10.482,485 0.699,486 16.833,487 0.543,488 10.31,489 0.687,490 3.189,491 0.213,492 4.064,493 0.271,494 0.163,496 0.209,501 0.488,502 1.154,503 0.901,504 1.152,505 0.504,506 1.092,507 0.55,508 1.215,509 0.939,510 1.209,511 0.566,512 1.138,513 0.74,514 0.952,515 0.807,516 0.943,517 0.745,518 0.892,519 1.446,520 0.948,521 0.979,522 0.928,523 1.436,524 0.895,525 1.907,526 0.939,527 1.15,528 0.921,529 1.907,530 0.931,531 1.715,532 0.973,533 1.22,534 0.971,535 1.707,536 1.02,537 1.467,538 1.017,539 1.31,540 1.035,541 1.446,542 1.135,543 0.794,544 0.992,545 1.124,546 1.019,547 0.781,548 1.103,549 2,550 0.012,551 1.556,552 0.938,553 0.511,554 0.292,555 0.141,556 0.043,557 0.033,558 0.026,559 1517,560 3694,561 1.888,562 51.6,563 9,564 5,568 2,572 1.528,573 1.765,574 2.969,575 -0.846,579 1,582 39.474,583 1.273,584 2.76,585 3.644,586 4.196,587 4.285,588 4.285,589 2.506,590 3.507,591 3.873,592 3.051,593 320.331,594 6.479,595 2695.4,597 1,600 153.58,601 1.371,602 3.831,603 0.133,604 0.012,605 0.086,606 0.052,607 0.034,608 0.022,609 0.014,610 0.006,611 0.007,612 0.009,613 0.376,614 0.83,615 1,616 2.288,617 59.886,622 -0.008,624 0.037,625 -0.159,626 -0.024,627 -0.15,628 0.021,629 -0.103,630 0.224,631 0.009,632 0.165,633 0.02,634 0.217,635 0.075,636 -0.088,637 -0.004,638 0.042,639 0.006,640 -0.073,641 0.037,642 -0.212,643 0.01,644 -0.089,645 0.007,646 -0.199,647 -0.02,648 -0.225,649 -0.021,650 -0.189,651 -0.034,652 -0.208,653 -0.096,654 -0.242,655 -0.061,656 -0.317,657 -0.087,658 -0.215,659 -0.195,660 -0.107,661 -0.046,662 -0.198,663 -0.064,664 -0.099,665 -0.133,666 2.022,667 4.589,668 0.4,669 9.893,670 0.991,671 1.121,672 2.601,673 6.763,674 0.645,675 2.773,676 2.944,677 3.091,678 3.135,679 3.178,680 2.944,681 2.833,682 2.565,683 2.197,684 1.946,685 4.557,686 0.601,687 204.29,688 2.773,689 4.205,690 4.977,691 5.771,692 6.569,693 7.377,694 8.185,695 8.999,696 9.812,697 10.629,715 5,720 1,722 6,727 1,741 31,743 8,744 1,745 15,747 31,748 13,749 6,750 1,751 5,752 2,756 1,757 1,763 1,770 4,772 8,773 5,777 2,782 2,786 2,790 1,793 16,794 2,796 2,808 1,809 2,829 1,841 1,859 1,864 1,868 15,876 4,893 6.5,896 2,901 8.5,902 5.75,903 3.639,904 2.194,907 1.253,908 1.241,909 0.905,910 4.759,911 6.452,912 3.045,913 3.45,914 3.907,915 4.229,916 4.61,917 4.386,918 4.545,919 4.262,920 3.626,921 3.498,922 1,923 18,924 5.585,925 -0.001,926 2.236,927 0.026,929 7.967,931 10.588,933 8.091,934 -0.001,936 2.467,937 37,938 0.004,941 188.338,942 79.797,945 50.29,948 79.797,949 238.627,951 8.825,952 10.138,953 47.381,954 60.557,955 3.186,957 188.338,959 188.338,960 79.797,961 50.29,964 188.338,965 50.29,968 18.963,969 60.834,972 188.338,973 50.29,974 79.797,977 188.338,978 23.591,979 56.206,981 50.29,982 188.338,983 50.29,984 79.797,986 0.541,987 0.308,988 0.149,989 0.075,990 6,991 3,992 0.194,993 6,995 1,996 2.748,997 83.504,999 6,1000 54.603,1005 11.645,1006 6.13,1007 3.668,1009 50.29,1010 8.734,1015 0.499,1018 318.425,1019 20,1024 23.058,1028 -0.624,1031 30.723,1032 34.74,1034 0.257,1035 0.557,1036 0.735,1037 0.847,1038 0.865,1039 0.865,1040 4.182,1041 -0.412,1042 4.89,1043 0.771,1044 3.611,1045 4.127,1046 1.45,1047 5.572,1048 3.653,1049 5.314,1050 -0.751,1051 6.378,1052 -0.661,1053 2.944,1054 3.651,1056 6.315,1057 3.063,1058 6.56,1059 -1,1060 7.987,1061 -1.609,1062 5.056,1063 6.13,1064 1.845,1065 9.404,1066 5.153,1067 7.85,1068 -1.224,1069 9.669,1070 -2.347,1071 5.303,1072 6.534,1074 11.045,1075 5.495,1076 9.181,1077 -1.414,1078 11.401,1079 -2.435,1080 6.83,1081 8.451,1082 2.271,1083 13.624,1084 6.999,1085 10.539,1086 -1.744,1087 13.166,1088 -3.398,1089 7.515,1090 9.258,1092 15.599,1093 7.77,1094 11.92,1095 -1.927,1096 14.953,1097 -4.337,1098 8.786,1099 10.923,1100 2.72,1101 17.991,1102 9.036,1103 2.928,1104 -2,1105 16.755,1106 -4.789,1107 9.679,1108 11.94,1110 20.107,1111 9.998,1112 2.179,1113 9.373,1114 18.568,1115 -6.619,1116 10.838,1117 13.473,1118 3.184,1119 22.419,1120 11.169,1121 1.671,1122 5.86,1123 20.388,1124 3.778,1125 11.829,1126 14.608,1128 24.599,1129 12.214,1130 1.414,1131 3.426,1132 22.214,1133 2.956,1134 12.939,1135 16.064,1136 3.658,1137 26.873,1138 13.347,1139 1,1140 2.889,1141 24.044,1142 2.092,1143 13.975,1144 17.272,1146 29.083,1147 14.428,1148 0.841,1149 2.136,1150 25.877,1151 1.628,1152 15.064,1153 18.681,1154 4.138,1155 31.338,1156 15.546,1157 0.438,1158 1.74,1159 27.712,1160 1.5,1161 16.121,1162 19.933,1164 33.562,1165 16.642,1166 1667,1167 2694,1168 9.534,1169 20,1170 21.389,1171 22.869,1172 21.995,1173 20.956,1174 20.944,1175 27.177,1176 2.555,1177 52.388,1178 21.41,1179 5.175,1180 5.855,1181 6.238,1182 4.965,1183 4.928,1184 6.778,1185 2.555,1186 15.991,1187 5.032,1188 7.568,1189 1.426,1190 1.525,1191 1.466,1192 1.397,1193 1.396,1194 1.812,1195 0.17,1196 3.493,1197 1.427,1198 3.941,1199 3.962,1200 3.883,1201 3.868,1202 7.496,1203 3.867,1204 3.733,1205 3.792,1206 3.597,1207 3.611,1208 7.352,1209 3.597,1210 3.496,1211 3.536,1212 3.37,1213 3.325,1214 4.724,1215 3.33,1216 3.158,1217 3.216,1218 2.976,1219 2.975,1220 4.17,1221 2.967,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.771,1227 2.715,1228 2.822,1229 2.894,1230 2.65,1231 2.628,1232 3.674,1233 2.618,1234 2.537,1235 2.622,1236 2.308,1237 2.276,1238 3.574,1239 2.266,1240 2.301,1241 2.371,1242 2.114,1243 1.915,1244 3.139,1245 1.935,1246 0.285,1247 0.257,1248 0.422,1249 0.264,1250 0.195,1251 4.275,1252 0.252,1253 3.855,1254 0.085,1255 6.328,1256 0.625,1257 3.965,1258 0.202,1259 2.928,1260 3.778,1261 1.277,1262 9.373,1263 3.032,1264 1.914,1265 1.893,1266 2.037,1267 2.008,1268 1.324,1269 2.016,1270 1.745,1271 1.687,1272 1.991,1273 1.902,1274 1.082,1275 1.936,1276 1.464,1277 1.419,1278 1.728,1279 1.67,1280 0.929,1281 1.686,1282 1.135,1283 1.082,1284 1.379,1285 1.371,1286 0.493,1287 1.375,1288 0.886,1289 0.821,1290 1.181,1291 1.07,1292 0.256,1293 1.107,1294 0.823,1295 0.747,1296 1.165,1297 1.062,1298 0.218,1299 1.107,1300 0.52,1301 0.437,1302 0.921,1303 0.823,1304 0.065,1305 0.854,1306 0.242,1307 0.126,1308 0.726,1309 0.629,1311 0.674,1312 3.434,1314 4.635,1316 6.043,1318 7.543,1320 9.092,1322 2.073,1328 3.26,1340 18.644,1341 39.474,1342 85.552,1343 112.951,1344 130.07,1345 132.825,1346 132.825,1347 36.692,1348 5.198,1349 34.14,1350 34.14,1351 6,1352 11.213,1353 3.17,1354 2.585,1355 31.249,1356 39,1357 46,1358 0.397,1359 121.433,1360 214.58,1361 288.056,1362 833,1364 11.096,1365 0.74,1366 0.602,1367 11.096,1368 9.032,1369 7.253,1370 0.484,1371 0.359,1372 5.352,1373 7.123,1374 5.193,1375 4.41,1376 7.253,1377 5.38,1378 5.73,1379 0.318,1380 0.199,1381 5.73,1382 3.575,1383 4.554,1384 0.217,1385 0.109,1386 4.554,1387 2.297,1388 3.104,1389 0.141,1390 0.064,1391 3.104,1392 1.4,1393 2.173,1394 0.094,1395 0.036,1396 2.173,1397 0.819,1398 0.613,1399 44.674,1400 0.324,1401 15.576,1402 1.102,1403 66,1404 205.471,1405 70.207,1406 197.656,1407 254.39,1408 182,1409 72,1410 169.273,1411 76.429,1412 172.166,1413 246.28,1414 162,1415 4}
{0 CHEMBL1812864,1 1.253,2 8.5,3 3.798,4 14.423,5 64.838,6 6.421,7 0.375,8 3.544,9 3.668,10 2.954,11 3.125,12 4.586,13 3.053,14 4.086,15 4.282,16 3.185,17 3.451,18 5.053,19 3.336,20 4.37,21 4.627,22 3.243,23 3.501,24 5.506,25 3.366,26 4.281,27 4.532,28 3.099,29 3.354,30 5.383,31 3.232,32 4.15,33 4.383,34 2.98,35 3.223,36 5.31,37 3.114,38 4.039,39 4.28,40 2.766,41 3.124,42 5.103,43 2.983,44 3.913,45 4.17,46 2.578,47 3.005,48 4.902,49 2.841,50 3.744,51 3.994,52 2.365,53 2.855,54 4.738,55 2.682,56 0.019,57 0.418,58 7.548,59 3.628,60 3.535,61 4.83,62 0.053,63 0.669,64 13.276,65 5.829,66 9.331,67 7.977,68 0.242,69 0.804,70 18.222,71 6.978,72 56.53,73 9.749,74 0.183,75 0.711,76 16.885,77 6.079,78 42.534,79 8.342,80 0.195,81 0.614,82 14.959,83 5.202,84 45.026,85 7.018,86 0.167,87 0.556,88 13.235,89 4.756,90 37.68,91 6.496,92 0.13,93 0.495,94 11.509,95 4.277,96 29.536,97 5.932,98 0.116,99 0.419,100 9.69,101 3.624,102 26.913,103 5.014,104 17,105 19,106 0.237,107 0.51,108 0.678,109 0.798,110 0.836,111 0.836,112 2.849,113 1.102,114 -4.09,115 -4.04,116 -3.82,121 41.2,122 1,123 5,144 5,145 1,158 1,159 1,176 11,180 2,187 10,191 1,192 5,200 7,206 6,214 5,219 5,227 6,232 3,239 6,244 2,251 6,256 1,264 6,277 5,281 296,282 10.803,283 10.803,284 10.803,285 10.803,286 10.803,287 9.869,288 4.144,289 6.968,290 10.749,291 7.85,292 7.85,293 7.85,294 7.85,295 7.85,296 6.387,297 2.635,298 3.277,299 7.729,300 3.834,301 2.392,302 1.504,303 0.868,304 0.669,305 0.669,306 3.477,311 1,312 1,313 267,314 3.391,318 59.765,325 1.375,326 18.676,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 34,338 136,339 4.275,340 3.855,341 6.328,342 3.965,343 2.928,344 3.778,345 1.277,346 9.373,347 3.032,348 3.594,349 2.961,350 5.082,351 3.203,352 2.18,353 2.956,355 5.86,356 2.225,357 2.971,358 2.16,359 3.906,360 2.751,361 1.746,362 2.093,364 3.524,365 1.754,366 2.723,367 1.774,368 3.637,369 2.486,370 1.469,371 1.727,373 3.079,374 1.491,375 2.5,376 1.323,377 3.294,378 2.058,379 1.047,380 1.5,382 2.136,383 1.057,384 2.364,385 1.221,386 3.247,387 2,388 1,389 1.2,391 2.067,392 1,393 2.022,394 1,395 2.784,396 1.684,397 0.608,398 0.824,400 1.224,401 0.648,402 1.212,403 0.526,404 2.189,405 1.089,406 0.05,407 0.056,409 0.081,410 0.052,411 0.75,412 -0.162,413 1.683,414 0.28,415 -0.746,416 -0.82,418 -1.331,419 -0.759,420 0.5,421 -0.445,422 1.555,423 0.275,424 -0.762,425 -1.101,427 -1.609,428 -0.79,429 0.43,430 -0.901,431 1.316,433 -1,434 -1.5,436 -2.347,437 -1,438 0.09,439 -1,440 1.184,441 -0.23,442 -1.319,443 -1.549,445 -2.824,446 -1.423,447 -0.34,448 -1.251,449 1,450 -0.46,451 -1.486,452 -1.948,454 -3.478,455 -1.548,456 -0.5,457 -1.726,458 0.534,459 -0.764,460 -1.774,461 -2,463 -4.347,464 -1.798,465 -0.672,466 -1.856,467 0.198,468 -0.94,469 -1.94,470 -2.218,472 -4.789,473 -1.941,474 7.667,475 0.479,476 0.247,477 0.015,478 17.5,479 1.094,480 9,481 0.563,482 8.5,483 0.531,484 11.985,485 0.749,486 18.133,487 0.533,488 10.576,489 0.661,490 3.189,491 0.199,492 4.564,493 0.285,494 0.152,496 0.196,501 0.493,502 1.179,503 0.934,504 1.176,505 0.502,506 1.119,507 0.549,508 1.236,509 0.972,510 1.231,511 0.556,512 1.165,513 0.72,514 0.952,515 0.813,516 0.944,517 0.719,518 0.897,519 1.379,520 0.947,521 0.965,522 0.93,523 1.365,524 0.9,525 1.775,526 0.938,527 1.109,528 0.924,529 1.771,530 0.931,531 1.571,532 0.966,533 1.161,534 0.965,535 1.587,536 1.006,537 1.258,538 0.961,539 1.097,540 0.966,541 1.261,542 1.006,543 1.332,544 1.001,545 1.218,546 1.015,547 1.315,548 1.091,549 2,550 0.021,551 1.556,552 0.938,553 0.511,554 0.292,555 0.182,556 0.075,557 0.033,558 0.026,559 1898,560 4347,561 1.895,562 52.9,563 11,564 5,568 2,572 1.546,573 1.778,574 3.099,575 -0.856,577 1,579 1,582 42.612,583 1.253,584 2.696,585 3.584,586 4.22,587 4.418,588 4.418,589 2.561,590 3.125,591 3.965,592 3.196,593 383.504,594 6.657,595 3435.09,597 1,599 1,600 172.974,601 1.329,602 3.929,603 0.125,604 0.007,605 0.082,606 0.049,607 0.032,608 0.021,609 0.017,610 0.008,611 0.005,612 0.005,613 0.351,614 0.83,615 1,616 2.453,617 66.286,622 -0.002,624 0.036,625 -0.167,626 -0.04,627 -0.159,628 0.026,629 -0.116,630 0.225,631 0.01,632 0.157,633 0.021,634 0.222,635 0.072,636 -0.065,637 -0.002,638 0.049,639 0.008,640 -0.046,641 0.038,642 -0.17,643 0.011,644 -0.059,645 0.009,646 -0.152,647 -0.008,648 -0.18,649 -0.015,650 -0.142,651 -0.025,652 -0.188,653 -0.071,654 -0.13,655 -0.013,656 -0.112,657 -0.022,658 -0.13,659 -0.059,660 -0.189,661 -0.045,662 -0.233,663 -0.064,664 -0.166,665 -0.142,666 2.017,667 4.659,668 0.375,669 11.625,670 0.988,671 1.122,672 2.864,673 8.203,674 0.64,675 2.833,676 2.996,677 3.135,678 3.178,679 3.219,680 2.996,681 2.944,682 2.708,683 2.398,684 2.197,685 4.983,686 0.593,687 218.32,688 2.833,689 4.263,690 5.03,691 5.82,692 6.613,693 7.416,694 8.221,695 9.031,696 9.841,697 10.655,715 5,720 1,722 6,727 1,741 34,743 8,744 1,745 16,747 34,748 14,749 6,750 1,751 5,752 2,756 1,757 1,763 1,770 5,772 8,773 6,777 2,782 2,786 2,790 1,793 18,794 2,796 2,808 1,809 2,829 1,841 1,859 1,864 1,868 16,876 5,893 5.9,896 2,901 9,902 6.25,903 3.889,904 2.444,907 1.223,908 1.23,909 0.904,910 5.488,911 6.532,912 3.091,913 3.481,914 3.927,915 4.243,916 4.619,917 4.398,918 4.577,919 4.303,920 3.703,921 3.626,922 0.833,923 19,924 5.966,926 2.382,927 0.026,929 7.906,931 11.405,933 8.757,936 2.406,937 38.5,938 0.003,941 211.88,942 82.332,945 50.29,948 82.332,949 262.17,951 8.825,952 12.673,953 47.381,954 60.557,955 3.186,957 211.88,959 211.88,960 82.332,961 50.29,964 211.88,965 50.29,968 21.498,969 60.834,972 211.88,973 50.29,974 82.332,977 211.88,978 26.125,979 56.206,981 50.29,982 211.88,983 50.29,984 82.332,986 0.538,987 0.304,988 0.146,989 0.073,990 6,991 3,992 0.206,993 7,995 1,996 2.884,997 90.576,999 6,1000 60,1005 12.64,1006 6.947,1007 4.321,1009 50.29,1010 8.76,1015 0.503,1018 344.501,1019 21,1024 23.216,1028 -0.612,1031 33.607,1032 38.156,1034 0.246,1035 0.53,1036 0.704,1037 0.829,1038 0.868,1039 0.868,1040 4.227,1041 0.05,1042 4.934,1043 1.224,1044 3.664,1045 4.159,1046 1.45,1047 5.602,1048 3.704,1049 5.348,1050 -0.746,1051 6.412,1052 0.081,1053 2.944,1054 3.651,1056 6.315,1057 3.063,1058 6.587,1059 -0.762,1060 8.01,1061 -1.331,1062 5.094,1063 6.143,1064 1.845,1065 9.412,1066 5.187,1067 7.87,1068 -1,1069 9.685,1070 -1.609,1071 5.303,1072 6.534,1074 11.045,1075 5.495,1076 9.195,1077 -1.319,1078 11.412,1079 -2.347,1080 6.851,1081 8.455,1082 2.271,1083 13.625,1084 7.017,1085 10.55,1086 -1.486,1087 13.173,1088 -2.824,1089 7.515,1090 9.258,1092 15.599,1093 7.77,1094 11.927,1095 -1.774,1096 14.957,1097 -3.478,1098 8.796,1099 10.925,1100 2.72,1101 17.991,1102 9.044,1103 2.928,1104 -1.94,1105 16.757,1106 -4.347,1107 9.679,1108 11.94,1110 20.107,1111 9.998,1112 2.18,1113 9.373,1114 18.569,1115 -4.789,1116 10.843,1117 13.473,1118 3.184,1119 22.419,1120 11.172,1121 1.746,1122 5.86,1123 20.389,1124 3.778,1125 11.829,1126 14.608,1128 24.599,1129 12.214,1130 1.469,1131 3.524,1132 22.214,1133 2.956,1134 12.942,1135 16.064,1136 3.658,1137 26.873,1138 13.348,1139 1.047,1140 3.079,1141 24.044,1142 2.093,1143 13.975,1144 17.272,1146 29.083,1147 14.428,1148 1,1149 2.136,1150 25.877,1151 1.727,1152 15.065,1153 18.681,1154 4.138,1155 31.338,1156 15.546,1157 0.608,1158 2.067,1159 27.713,1160 1.5,1161 16.121,1162 19.933,1164 33.562,1165 16.642,1166 2062,1167 3234,1168 10.227,1169 21.762,1170 22.525,1171 24.161,1172 23.306,1173 22.075,1174 22.057,1175 28.27,1176 2.555,1177 54.686,1178 22.517,1179 5.194,1180 5.855,1181 6.265,1182 4.965,1183 4.928,1184 6.778,1185 2.555,1186 15.991,1187 5.032,1188 8.013,1189 1.408,1190 1.51,1191 1.457,1192 1.38,1193 1.379,1194 1.767,1195 0.16,1196 3.418,1197 1.407,1198 3.942,1199 3.963,1200 3.884,1201 3.869,1202 7.496,1203 3.867,1204 3.754,1205 3.813,1206 3.61,1207 3.635,1208 7.352,1209 3.619,1210 3.551,1211 3.596,1212 3.425,1213 3.392,1214 4.724,1215 3.392,1216 3.263,1217 3.315,1218 3.089,1219 3.081,1220 4.19,1221 3.077,1222 2.941,1223 3.016,1224 2.758,1225 2.758,1226 3.88,1227 2.742,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 2.667,1235 2.743,1236 2.443,1237 2.441,1238 3.583,1239 2.431,1240 2.414,1241 2.51,1242 2.234,1243 2.109,1244 3.368,1245 2.1,1246 0.267,1247 0.241,1248 0.396,1249 0.248,1250 0.183,1251 4.275,1252 0.236,1253 3.855,1254 0.08,1255 6.328,1256 0.586,1257 3.965,1258 0.189,1259 2.928,1260 3.778,1261 1.277,1262 9.373,1263 3.032,1264 1.914,1265 1.893,1266 2.043,1267 2.009,1268 1.36,1269 2.018,1270 1.767,1271 1.709,1272 2.006,1273 1.921,1274 1.096,1275 1.955,1276 1.534,1277 1.484,1278 1.802,1279 1.727,1280 1.03,1281 1.751,1282 1.234,1283 1.186,1284 1.494,1285 1.464,1286 0.658,1287 1.471,1288 0.947,1289 0.873,1290 1.241,1291 1.187,1292 0.323,1293 1.214,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 0.658,1301 0.579,1302 1.056,1303 0.931,1304 0.206,1305 0.972,1306 0.4,1307 0.296,1308 0.834,1309 0.74,1311 0.776,1312 3.497,1314 4.691,1316 6.089,1318 7.579,1320 9.12,1322 2.122,1328 4.511,1340 20.171,1341 42.612,1342 91.649,1343 121.854,1344 143.464,1345 150.219,1346 150.219,1347 41.207,1348 5.308,1349 34.14,1350 34.14,1351 6,1352 11.242,1353 3.17,1354 2.585,1355 34.741,1356 46,1357 54,1358 0.372,1359 131.025,1360 231.88,1361 311.462,1362 994,1364 11.803,1365 0.738,1366 0.609,1367 11.803,1368 9.739,1369 7.753,1370 0.485,1371 0.367,1372 5.852,1373 7.623,1374 5.684,1375 4.826,1376 7.753,1377 5.88,1378 6.084,1379 0.32,1380 0.207,1381 6.084,1382 3.929,1383 4.804,1384 0.218,1385 0.116,1386 4.804,1387 2.547,1388 3.281,1389 0.143,1390 0.069,1391 3.281,1392 1.576,1393 2.308,1394 0.096,1395 0.04,1396 2.308,1397 0.959,1398 0.584,1399 47.674,1400 0.313,1401 16.707,1402 1.004,1403 70,1404 209.471,1405 74.207,1406 201.818,1407 260.15,1408 186,1409 76,1410 173.273,1411 80.429,1412 176.327,1413 252.04,1414 166,1415 4}
{0 CHEMBL181435,1 1.305,2 13,3 4.186,4 17.522,5 78.267,6 5.469,8 3.918,9 4.068,10 3.149,11 3.315,12 4.803,13 3.235,14 4.522,15 4.757,16 3.29,17 3.653,18 5.381,19 3.489,20 4.802,21 5.118,22 3.227,23 3.732,24 5.453,25 3.519,26 4.739,27 5.042,28 3.186,29 3.64,30 5.492,31 3.45,32 4.646,33 4.944,34 3.121,35 3.554,36 5.425,37 3.374,38 4.559,39 4.847,40 3.06,41 3.481,42 5.376,43 3.305,44 4.498,45 4.786,46 2.924,47 3.413,48 5.29,49 3.227,50 4.41,51 4.712,52 2.835,53 3.357,54 5.118,55 3.15,56 0.065,57 0.609,58 12.697,59 4.84,60 5.834,61 7.038,62 0.387,63 0.875,64 21.468,65 7.336,66 31.364,67 10.983,68 0.273,69 0.96,70 25.558,71 8.205,72 24.566,73 12.798,74 0.33,75 0.88,76 24.573,77 7.255,78 32.829,79 11.494,80 0.32,81 0.801,82 22.612,83 6.602,84 31.25,85 10.425,86 0.286,87 0.735,88 20.834,89 6.203,90 32.258,91 9.68,92 0.3,93 0.686,94 19.51,95 5.784,96 30.795,97 9.025,98 0.209,99 0.651,100 17.462,101 5.545,102 20.747,103 8.62,104 41,105 18,106 0.231,107 0.376,108 0.579,109 0.731,110 0.806,111 0.856,112 3.004,113 1.304,114 -3.63,115 -3.6,116 -3.43,121 30,122 1,123 10,127 3,161 1,176 9,179 1,180 1,183 2,185 2,187 7,192 1,197 2,200 5,206 4,211 3,214 4,219 4,224 2,227 3,232 4,237 2,239 3,244 2,249 2,251 3,256 2,261 2,264 3,269 2,274 2,277 3,281 545,282 13.054,283 13.054,284 13.054,285 13.054,286 13.054,287 12.899,288 8.334,289 9.128,290 13.285,291 8.881,292 8.881,293 8.881,294 8.881,295 8.881,296 8.578,297 6.257,298 4.381,299 9.211,300 4.339,301 3.522,302 2.374,303 1.515,304 1.095,305 0.815,306 3.628,311 1,312 1,313 459,314 4.243,325 2.105,326 17.459,328 1,329 1,330 0.83,331 0.83,332 0.6,333 1,334 0.83,335 0.5,336 0.8,337 41.5,338 247,339 3.659,340 3.637,341 5.035,342 3.32,343 2.382,344 2.828,345 2.186,346 6.092,347 2.207,348 2.932,349 2.032,350 3.929,351 2.925,352 1.929,353 1.932,354 0.366,355 3.849,356 1.921,357 2.742,358 1.927,359 3.739,360 2.722,361 1.74,362 1.742,364 3.437,365 1.707,366 2.629,367 1.784,368 3.584,369 2.586,370 1.603,371 1.623,373 3.079,374 1.572,375 2.422,376 1.699,377 3.362,378 2.374,379 1.397,380 1.414,382 2.677,383 1.359,384 2.043,385 1.349,386 3.013,387 1.981,388 1.03,389 1.036,391 1.922,392 0.971,393 1.76,394 1.047,395 2.69,396 1.678,397 0.721,398 0.73,400 1.239,401 0.684,402 1.577,403 0.899,404 2.358,405 1.463,406 0.5,407 0.518,409 0.85,410 0.475,411 1.117,412 0.439,413 2,414 1.012,415 0.067,416 0.069,418 0.117,419 0.063,420 0.768,421 0.119,422 1.653,423 0.627,424 -0.338,425 -0.34,427 -0.559,428 -0.321,429 0.642,430 -0.164,431 1.401,432 0.516,433 -0.476,434 -0.518,436 -0.82,437 -0.467,438 0.221,439 -0.456,440 1.127,441 0.107,442 -0.867,443 -0.907,445 -1.637,446 -0.839,447 -0.077,448 -0.853,449 0.756,450 -0.213,451 -1.213,452 -1.284,454 -2.404,455 -1.195,456 -0.286,457 -1.046,458 0.709,459 -0.326,460 -1.288,461 -1.414,463 -2.521,464 -1.247,465 -0.549,466 -1.352,467 0.394,468 -0.615,469 -1.569,470 -1.645,472 -3.186,473 -1.471,474 8.9,475 0.468,476 0.106,477 0.006,478 12,479 0.632,480 1.5,481 0.079,482 10.5,483 0.553,484 20.59,485 1.084,486 25.3,487 0.506,488 6.007,489 0.316,490 1.712,491 0.09,492 7.596,493 0.4,494 0.131,496 0.056,501 0.873,502 1.702,503 1.194,504 1.612,505 0.747,506 1.467,507 0.698,508 1.382,509 1.212,510 1.416,511 0.591,512 1.398,513 0.76,514 1.004,515 0.872,516 0.988,517 0.657,518 0.952,519 1.143,520 0.961,521 0.997,522 0.936,523 1.099,524 0.941,525 1.266,526 0.916,527 1.039,528 0.916,529 1.215,530 0.935,531 1.302,532 0.991,533 1.059,534 0.99,535 1.271,536 0.99,537 1.434,538 0.931,539 1.138,540 0.936,541 1.415,542 0.989,543 0.951,544 1.025,545 1.005,546 1.028,547 0.942,548 1.025,549 1.5,550 0.033,551 0.667,552 0.375,553 0.24,554 0.167,555 0.082,556 0.062,557 0.049,558 0.04,559 3654,560 7791,561 1.831,562 62,563 17,564 6,567 2,569 6,572 1.589,573 1.754,574 3.705,575 0.341,577 1,582 65.254,583 1.305,584 2.122,585 3.27,586 4.128,587 4.549,588 4.829,589 3.156,590 3.932,591 4.213,592 3.837,593 656.204,594 7.113,595 7682.05,597 1,599 1,600 282.193,601 0.913,602 4.205,603 0.083,604 0.004,605 0.037,606 0.022,607 0.015,608 0.011,609 0.006,610 0.005,611 0.004,612 0.004,613 0.192,614 0.67,615 0.88,616 3.156,617 89.49,618 -0.036,619 -0.141,620 -0.019,621 -0.102,622 -0.027,623 -0.062,624 0.211,625 -0.15,626 -0.152,627 -0.213,628 0.123,629 -0.24,630 0.002,631 -0.044,632 0.055,633 -0.013,634 0.002,635 0.024,636 -0.084,637 -0.008,638 -0.008,639 0.005,640 -0.071,641 0.01,642 -0.113,643 0.044,644 -0.029,645 0.024,646 -0.092,647 0.015,648 -0.109,649 -0.025,650 -0.04,651 -0.019,652 -0.067,653 -0.019,654 -0.171,655 0.023,656 -0.111,657 0.02,658 -0.14,659 -0.031,660 -0.061,661 -0.043,662 -0.044,663 -0.04,664 -0.056,665 -0.039,666 1.947,667 4.2,669 21.319,670 0.987,671 1.147,672 2.401,673 5.765,674 0.576,675 2.944,676 2.944,677 2.89,678 2.833,679 2.773,680 2.708,681 2.565,682 2.485,683 2.398,684 2.303,685 7.504,686 0.521,687 273.47,688 2.944,689 4.29,690 4.963,691 5.659,692 6.347,693 7.052,694 7.746,695 8.455,696 9.153,697 9.865,698 2,705 1,741 50,743 1,745 18,747 49,748 15,763 2,770 10,772 1,773 14,777 1,782 1,786 1,790 1,793 31,794 4,795 2,796 4,802 1,809 3,810 1,856 1,857 1,864 1,868 19,875 1,876 13,877 1,878 1,893 6,894 1,896 1,898 1,901 10.833,902 8.533,903 4.917,904 3.704,907 0.09,908 1.017,909 0.839,910 15.252,911 5.342,912 2.996,913 3.045,914 2.996,915 2.944,916 2.89,917 2.833,918 2.639,919 2.565,920 2.485,921 2.398,922 0.889,923 17,924 7.079,926 2.596,927 0.026,929 7.719,931 14.049,933 10.394,936 2.219,937 42.167,938 0.002,941 341.362,942 47.631,943 18.011,945 78.828,948 47.631,949 420.19,950 18.011,951 8.825,952 50.054,953 42.683,954 25.145,955 11,956 6.763,957 341.362,959 341.362,960 65.642,961 78.828,964 270.735,965 106.771,966 42.683,968 58.879,969 6.763,972 341.362,973 96.839,974 47.631,977 341.362,978 38.806,979 8.825,980 18.011,981 78.828,982 341.362,983 96.839,984 47.631,986 0.496,987 0.247,988 0.116,989 0.058,990 1,991 1,992 0.286,993 14,996 3.417,997 96.241,1000 80.711,1005 18.558,1006 15.615,1007 15.502,1009 96.839,1017 60.694,1018 485.832,1019 19,1024 11.2,1028 -0.28,1031 49.338,1032 57.355,1034 0.231,1035 0.376,1036 0.579,1037 0.731,1038 0.806,1039 0.856,1040 4.06,1041 0.5,1042 4.727,1043 1.239,1044 3.611,1045 3.714,1046 2.255,1047 5.094,1048 3.539,1049 4.984,1050 0.067,1051 5.999,1052 0.85,1053 1.946,1054 2.565,1055 1.784,1056 4.691,1057 1.822,1058 6.064,1059 -0.338,1060 7.356,1061 0.117,1062 4.762,1063 5.056,1064 3.49,1065 7.989,1066 4.602,1067 7.17,1068 -0.476,1069 8.77,1070 -0.559,1071 3.932,1072 4.949,1073 3.59,1074 8.69,1075 3.621,1076 8.322,1077 -0.867,1078 10.227,1079 -0.82,1080 6.098,1081 6.696,1082 4.905,1083 11.222,1084 5.827,1085 9.502,1086 -1.213,1087 11.72,1088 -1.637,1089 5.82,1090 7.162,1091 5.289,1092 12.466,1093 5.33,1094 10.707,1095 -1.288,1096 13.24,1097 -2.404,1098 7.55,1099 8.537,1100 6.387,1101 14.646,1102 7.146,1103 2.382,1104 -1.569,1105 14.782,1106 -2.521,1107 7.647,1108 9.302,1109 6.93,1110 16.161,1111 6.986,1112 1.929,1113 6.092,1114 16.341,1115 -3.186,1116 9.087,1117 10.499,1118 7.902,1119 18.168,1120 8.53,1121 1.74,1122 3.849,1123 17.914,1124 2.828,1125 9.44,1126 11.41,1127 8.539,1128 19.819,1129 8.616,1130 1.603,1131 3.437,1132 19.498,1133 1.932,1134 10.686,1135 12.523,1136 9.436,1137 21.736,1138 9.962,1139 1.397,1140 3.079,1141 21.09,1142 1.742,1143 11.213,1144 13.503,1145 10.13,1146 23.457,1147 10.229,1148 1.03,1149 2.677,1150 22.687,1151 1.623,1152 12.329,1153 14.577,1154 10.981,1155 25.326,1156 11.43,1157 0.721,1158 1.922,1159 24.29,1160 1.414,1161 12.973,1162 15.589,1163 11.71,1164 27.085,1165 11.833,1166 4049,1167 5993,1168 11.496,1169 28.79,1170 22.761,1171 23.848,1172 23.415,1173 22.721,1174 22.736,1175 23.784,1176 5.105,1177 46.521,1178 21.919,1179 4.629,1180 5.56,1181 5.019,1182 4.367,1183 4.353,1184 4.814,1185 3.889,1186 10.769,1187 4.137,1188 10.025,1189 1.265,1190 1.325,1191 1.301,1192 1.262,1193 1.263,1194 1.321,1195 0.284,1196 2.585,1197 1.218,1198 3.824,1199 3.886,1200 3.673,1201 3.692,1202 7.435,1203 3.674,1204 3.721,1205 3.787,1206 3.581,1207 3.548,1208 6.456,1209 3.539,1210 3.649,1211 3.715,1212 3.473,1213 3.504,1214 4.476,1215 3.486,1216 3.488,1217 3.541,1218 3.336,1219 3.274,1220 4.197,1221 3.274,1222 3.356,1223 3.429,1224 3.179,1225 3.107,1226 4.164,1227 3.125,1228 3.155,1229 3.238,1230 2.928,1231 2.932,1232 3.94,1233 2.916,1234 2.994,1235 3.062,1236 2.773,1237 2.727,1238 3.846,1239 2.734,1240 2.807,1241 2.903,1242 2.544,1243 2.538,1244 3.594,1245 2.523,1246 0.203,1247 0.202,1248 0.28,1249 0.184,1250 0.132,1251 3.659,1252 0.157,1253 3.637,1254 0.121,1255 5.035,1256 0.338,1257 3.32,1258 0.123,1259 2.382,1260 2.828,1261 2.186,1262 6.092,1263 2.207,1264 1.811,1265 1.752,1266 2.059,1267 1.973,1268 1.422,1269 2.004,1270 1.704,1271 1.637,1272 1.973,1273 1.912,1274 1.27,1275 1.931,1276 1.663,1277 1.599,1278 1.931,1279 1.848,1280 1.254,1281 1.879,1282 1.45,1283 1.389,1284 1.74,1285 1.697,1286 1.04,1287 1.707,1288 1.304,1289 1.232,1290 1.609,1291 1.588,1292 0.771,1293 1.599,1294 1.153,1295 1.07,1296 1.505,1297 1.423,1298 0.75,1299 1.453,1300 0.938,1301 0.876,1302 1.281,1303 1.258,1304 0.492,1305 1.266,1306 0.796,1307 0.701,1308 1.172,1309 1.117,1310 0.263,1311 1.149,1312 3.611,1314 4.691,1316 5.905,1318 7.183,1320 8.498,1322 2.094,1327 8.632,1328 12.717,1329 2.733,1330 5.07,1340 26.068,1341 65.254,1342 106.092,1343 163.49,1344 206.418,1345 227.438,1346 241.438,1347 81.827,1348 5.252,1349 58.56,1350 58.56,1352 10.544,1353 1,1354 1,1355 83.15,1356 85,1357 81,1358 0.458,1359 170.511,1360 302.79,1361 407.807,1362 1080,1364 14.184,1365 0.747,1366 0.656,1367 14.184,1368 12.456,1369 9.308,1370 0.517,1371 0.435,1372 7.735,1373 8.945,1374 7.577,1375 6.44,1376 9.308,1377 7.824,1378 6.572,1379 0.365,1380 0.276,1381 6.572,1382 4.968,1383 4.351,1384 0.256,1385 0.181,1386 4.351,1387 3.085,1388 2.867,1389 0.179,1390 0.116,1391 2.867,1392 1.858,1393 1.87,1394 0.125,1395 0.075,1396 1.87,1397 1.126,1398 0.782,1399 58.495,1400 0.295,1401 20.698,1402 1.099,1403 72,1404 215.954,1405 81.249,1406 194.991,1407 244.54,1408 182,1409 71,1410 152.296,1411 78.147,1412 149.449,1413 211.08,1414 140,1415 6.699}
{0 CHEMBL181445,1 1.34,2 11.471,3 3.274,4 10.716,5 69.065,6 5.577,8 3.796,9 3.944,10 3.043,11 3.178,12 4.713,13 3.107,14 4.391,15 4.623,16 3.185,17 3.504,18 5.292,19 3.35,20 4.656,21 4.968,22 3.112,23 3.571,24 5.342,25 3.37,26 4.582,27 4.879,28 3.067,29 3.462,30 5.385,31 3.29,32 4.472,33 4.762,34 2.992,35 3.358,36 5.311,37 3.201,38 4.368,39 4.645,40 2.923,41 3.269,42 5.255,43 3.118,44 4.293,45 4.57,46 2.766,47 3.185,48 5.158,49 3.023,50 4.184,51 4.477,52 2.661,53 3.113,54 4.96,55 2.928,56 0.054,57 0.53,58 11.169,59 4.153,60 4.972,61 6.072,62 0.373,63 0.748,64 18.987,65 6.225,66 30.226,67 9.411,68 0.261,69 0.807,70 22.482,71 6.844,72 23.971,73 10.853,74 0.321,75 0.727,76 21.466,77 5.899,78 32.732,79 9.54,80 0.311,81 0.649,82 19.471,83 5.25,84 31.039,85 8.466,86 0.275,87 0.584,88 17.66,89 4.852,90 31.705,91 7.718,92 0.292,93 0.536,94 16.346,95 4.437,96 30.756,97 7.061,98 0.195,99 0.501,100 14.282,101 4.199,102 19.93,103 6.659,104 37,105 16,106 0.245,107 0.408,108 0.631,109 0.789,110 0.847,111 0.872,112 2.901,113 1.279,114 -3.11,115 -3.11,116 -2.99,121 29.5,122 1,123 8,127 3,161 1,176 7,179 1,180 1,183 2,185 2,187 5,192 1,197 2,200 3,206 4,211 3,214 2,219 4,224 2,227 1,232 4,237 2,239 1,244 2,249 2,251 2,256 1,261 1,264 3,269 1,272 1,274 1,277 3,281 393,282 11.64,283 11.64,284 11.64,285 11.64,286 11.64,287 11.485,288 8.334,289 8.128,290 11.871,291 7.881,292 7.881,293 7.881,294 7.881,295 7.881,296 7.578,297 6.257,298 3.881,299 8.211,300 4.119,301 3.229,302 2.017,303 1.154,304 0.835,305 0.699,306 3.516,311 1,312 1,313 359,314 4,325 1.91,326 17.1,328 1,329 1,330 0.83,331 0.83,332 0.8,333 1,334 0.83,335 0.5,336 0.83,337 37.5,338 195,339 3.659,340 3.637,341 5.035,342 3.32,343 2.382,344 2.828,345 2.186,346 6.092,347 2.207,348 2.903,349 2.032,350 3.897,351 2.892,352 1.898,353 1.903,354 0.366,355 3.78,356 1.885,357 2.666,358 1.893,359 3.664,360 2.635,361 1.665,362 1.666,364 3.249,365 1.611,366 2.59,367 1.781,368 3.513,369 2.541,370 1.55,371 1.581,373 2.961,374 1.53,375 2.207,376 1.564,377 3.151,378 2.139,379 1.185,380 1.197,382 2.217,383 1.122,384 1.784,385 1.084,386 2.767,387 1.714,388 0.773,389 0.776,391 1.351,392 0.721,393 1.661,394 1.031,395 2.404,396 1.527,397 0.561,398 0.585,400 0.928,401 0.535,402 1.138,403 0.51,404 2,405 1.014,406 0.079,407 0.08,409 0.133,410 0.073,411 0.766,412 0.129,413 1.612,414 0.615,415 -0.36,416 -0.367,418 -0.583,419 -0.345,420 0.583,421 -0.18,422 1.361,423 0.449,424 -0.53,425 -0.576,427 -0.922,428 -0.514,429 0.114,430 -0.516,431 1,432 -0.028,433 -1,434 -1.05,436 -1.91,437 -0.962,438 -0.152,439 -0.95,440 0.727,441 -0.247,442 -1.242,443 -1.376,445 -2.439,446 -1.245,447 -0.421,448 -1.127,449 0.549,450 -0.484,451 -1.433,452 -1.521,454 -2.874,455 -1.33,456 -0.686,457 -1.558,458 0.208,459 -0.753,460 -1.711,461 -1.816,463 -3.5,464 -1.629,465 -0.851,466 -1.664,467 0.089,468 -0.887,469 -1.855,470 -1.931,471 -0.85,472 -3.806,473 -1.759,474 7.9,475 0.465,476 0.106,477 0.006,478 11,479 0.647,480 1.5,481 0.088,482 9.5,483 0.559,484 17.237,485 1.014,486 22.7,487 0.516,488 5.806,489 0.342,490 1.712,491 0.101,492 6.596,493 0.388,494 0.148,496 0.063,501 0.876,502 1.733,503 1.165,504 1.63,505 0.75,506 1.462,507 0.702,508 1.366,509 1.185,510 1.402,511 0.596,512 1.381,513 0.782,514 1.006,515 0.863,516 0.984,517 0.676,518 0.942,519 1.198,520 0.955,521 1.008,522 0.921,523 1.152,524 0.928,525 1.353,526 0.9,527 1.063,528 0.893,529 1.298,530 0.919,531 1.418,532 0.99,533 1.092,534 0.982,535 1.384,536 0.984,537 1.586,538 0.916,539 1.194,540 0.912,541 1.566,542 0.982,543 1.064,544 1.033,545 1.036,546 1.028,547 1.057,548 1.027,549 1.5,550 0.033,551 0.667,552 0.375,553 0.24,554 0.167,555 0.082,556 0.062,557 0.049,558 0.04,559 2536,560 5765,561 1.812,562 61.4,563 13,564 6,567 2,569 6,572 1.556,573 1.729,574 3.536,575 0.411,577 1,579 1,582 58.972,583 1.34,584 2.23,585 3.442,586 4.306,587 4.624,588 4.76,589 2.984,590 3.852,591 4.052,592 3.656,593 497.199,594 6.793,595 5203.62,597 1,599 1,600 240.215,601 0.978,602 4.039,603 0.094,604 0.005,605 0.042,606 0.025,607 0.017,608 0.013,609 0.007,610 0.006,611 0.005,612 0.005,613 0.219,614 0.67,615 0.88,616 2.984,617 76.112,618 -0.045,619 -0.165,620 -0.021,621 -0.118,622 -0.035,623 -0.071,624 0.212,625 -0.14,626 -0.14,627 -0.208,628 0.122,629 -0.237,630 -0.004,631 -0.054,632 0.061,633 -0.016,634 -0.003,635 0.029,636 -0.105,637 -0.012,638 -0.013,639 0.005,640 -0.089,641 0.012,642 -0.144,643 0.05,644 -0.039,645 0.028,646 -0.118,647 0.018,648 -0.143,649 -0.033,650 -0.055,651 -0.024,652 -0.095,653 -0.024,654 -0.219,655 0.026,656 -0.142,657 0.024,658 -0.181,659 -0.04,660 -0.089,661 -0.057,662 -0.06,663 -0.052,664 -0.082,665 -0.051,666 1.96,667 4.131,669 17.197,670 0.99,671 1.148,672 1.881,673 3.54,674 0.574,675 2.833,676 2.833,677 2.773,678 2.708,679 2.639,680 2.565,681 2.398,682 2.303,683 2.197,684 2.079,685 6.662,686 0.523,687 245.41,688 2.833,689 4.174,690 4.844,691 5.541,692 6.229,693 6.934,694 7.629,695 8.34,696 9.038,697 9.752,698 2.3,705 1,741 44,743 1,745 16,747 43,748 13,763 2,770 8,772 1,773 12,777 1,782 1,786 1,790 1,793 27,794 4,795 2,796 4,802 1,809 3,810 1,856 1,857 1,864 1,868 17,875 1,876 11,877 1,878 1,893 6.8,894 1,896 1,898 1,901 9.833,902 7.533,903 4.417,904 3.204,907 0.099,908 1.02,909 0.832,910 13.269,911 5.136,912 2.89,913 2.944,914 2.89,915 2.833,916 2.773,917 2.708,918 2.485,919 2.398,920 2.303,921 2.197,922 0.875,923 15,924 6.321,926 2.309,927 0.026,929 7.804,931 12.416,933 9.06,936 2.304,937 39.167,938 0.003,941 294.278,942 42.562,943 18.011,945 78.828,948 42.562,949 373.106,950 18.011,951 8.825,952 44.985,953 42.683,954 25.145,955 11,956 6.763,957 294.278,959 294.278,960 60.573,961 78.828,964 223.651,965 106.771,966 42.683,968 53.81,969 6.763,972 294.278,973 96.839,974 42.562,977 294.278,978 33.737,979 8.825,980 18.011,981 78.828,982 294.278,983 96.839,984 42.562,986 0.496,987 0.247,988 0.115,989 0.058,990 1,991 1,992 0.279,993 12,996 3.157,997 82.385,1000 69.487,1005 16.558,1006 13.623,1007 13.494,1009 96.839,1017 60.694,1018 433.679,1019 17,1024 11.131,1028 -0.293,1031 43.571,1032 50.524,1034 0.245,1035 0.408,1036 0.631,1037 0.789,1038 0.847,1039 0.872,1040 3.951,1041 0.079,1042 4.615,1043 0.928,1044 3.497,1045 3.611,1046 2.255,1047 4.99,1048 3.415,1049 4.883,1050 -0.36,1051 5.894,1052 0.133,1053 1.946,1054 2.565,1055 1.784,1056 4.691,1057 1.822,1058 5.971,1059 -0.53,1060 7.262,1061 -0.583,1062 4.654,1063 4.977,1064 3.49,1065 7.921,1066 4.473,1067 7.088,1068 -1,1069 8.688,1070 -0.922,1071 3.932,1072 4.949,1073 3.59,1074 8.69,1075 3.621,1076 8.251,1077 -1.242,1078 10.158,1079 -1.91,1080 6.004,1081 6.645,1082 4.905,1083 11.187,1084 5.702,1085 9.442,1086 -1.433,1087 11.662,1088 -2.439,1089 5.82,1090 7.162,1091 5.289,1092 12.466,1093 5.33,1094 10.656,1095 -1.711,1096 13.193,1097 -2.874,1098 7.474,1099 8.509,1100 6.387,1101 14.63,1102 7.029,1103 2.382,1104 -1.855,1105 14.744,1106 -3.5,1107 7.647,1108 9.302,1109 6.93,1110 16.161,1111 6.986,1112 1.898,1113 6.092,1114 16.311,1115 -3.806,1116 9.028,1117 10.485,1118 7.902,1119 18.161,1120 8.425,1121 1.665,1122 3.78,1123 17.891,1124 2.828,1125 9.44,1126 11.41,1127 8.539,1128 19.819,1129 8.616,1130 1.55,1131 3.249,1132 19.479,1133 1.903,1134 10.642,1135 12.517,1136 9.436,1137 21.733,1138 9.87,1139 1.185,1140 2.961,1141 21.075,1142 1.666,1143 11.213,1144 13.503,1145 10.13,1146 23.457,1147 10.229,1148 0.773,1149 2.217,1150 22.676,1151 1.581,1152 12.299,1153 14.574,1154 10.981,1155 25.325,1156 11.353,1157 0.561,1158 1.351,1159 24.281,1160 1.197,1161 12.973,1162 15.589,1163 11.71,1164 27.085,1165 11.833,1166 2855,1167 4377,1168 10.11,1169 25.267,1170 20.216,1171 21.284,1172 20.861,1173 20.163,1174 20.186,1175 21.233,1176 5.105,1177 41.423,1178 19.37,1179 4.621,1180 5.523,1181 5.012,1182 4.366,1183 4.345,1184 4.808,1185 3.889,1186 10.769,1187 4.107,1188 9.169,1189 1.264,1190 1.33,1191 1.304,1192 1.26,1193 1.262,1194 1.327,1195 0.319,1196 2.589,1197 1.211,1198 3.807,1199 3.867,1200 3.662,1201 3.666,1202 7.435,1203 3.65,1204 3.711,1205 3.78,1206 3.563,1207 3.544,1208 6.456,1209 3.533,1210 3.593,1211 3.652,1212 3.422,1213 3.42,1214 4.476,1215 3.41,1216 3.423,1217 3.478,1218 3.278,1219 3.155,1220 4.196,1221 3.181,1222 3.247,1223 3.33,1224 3.037,1225 3.026,1226 4.112,1227 3.015,1228 3.029,1229 3.096,1230 2.805,1231 2.758,1232 3.882,1233 2.765,1234 2.855,1235 2.942,1236 2.609,1237 2.582,1238 3.742,1239 2.574,1240 2.553,1241 2.672,1242 2.234,1243 2.227,1244 3.346,1245 2.205,1246 0.229,1247 0.227,1248 0.315,1249 0.207,1250 0.149,1251 3.659,1252 0.177,1253 3.637,1254 0.137,1255 5.035,1256 0.381,1257 3.32,1258 0.138,1259 2.382,1260 2.828,1261 2.186,1262 6.092,1263 2.207,1264 1.79,1265 1.731,1266 2.04,1267 1.96,1268 1.397,1269 1.988,1270 1.702,1271 1.632,1272 1.972,1273 1.906,1274 1.255,1275 1.928,1276 1.586,1277 1.525,1278 1.861,1279 1.797,1280 1.18,1281 1.819,1282 1.34,1283 1.282,1284 1.627,1285 1.638,1286 0.869,1287 1.632,1288 1.24,1289 1.154,1290 1.583,1291 1.503,1292 0.753,1293 1.533,1294 0.975,1295 0.911,1296 1.322,1297 1.294,1298 0.53,1299 1.303,1300 0.825,1301 0.74,1302 1.176,1303 1.15,1304 0.26,1305 1.171,1306 0.551,1307 0.429,1308 1.041,1309 0.921,1310 0.224,1311 0.966,1312 3.497,1314 4.575,1316 5.79,1318 7.071,1320 8.39,1322 2.087,1327 8.592,1328 9.91,1329 2.713,1330 5.026,1340 23.014,1341 58.972,1342 98.119,1343 151.46,1344 189.46,1345 203.46,1346 209.46,1347 65.447,1348 5.037,1349 58.56,1350 58.56,1352 10.43,1353 1,1354 1,1355 68.495,1356 67,1357 64,1358 0.484,1359 151.327,1360 268.19,1361 360.997,1362 766,1364 12.77,1365 0.751,1366 0.65,1367 12.77,1368 11.042,1369 8.308,1370 0.519,1371 0.426,1372 6.735,1373 7.945,1374 6.596,1375 5.607,1376 8.308,1377 6.824,1378 5.865,1379 0.367,1380 0.266,1381 5.865,1382 4.261,1383 3.851,1384 0.257,1385 0.172,1386 3.851,1387 2.585,1388 2.514,1389 0.18,1390 0.107,1391 2.514,1392 1.504,1393 1.62,1394 0.125,1395 0.067,1396 1.62,1397 0.876,1398 0.816,1399 52.495,1400 0.315,1401 18.608,1402 1.178,1403 64,1404 207.954,1405 73.249,1406 186.668,1407 233.02,1408 174,1409 63,1410 144.296,1411 70.147,1412 141.125,1413 199.56,1414 132,1415 6.444}
{0 CHEMBL1814729,1 1.513,2 11.37,3 4.408,4 19.426,5 105.014,6 7.418,7 0.567,8 3.985,9 4.107,10 3.549,11 3.573,12 5.067,13 3.543,14 4.528,15 4.698,16 3.899,17 3.971,18 5.604,19 3.914,20 4.829,21 5.061,22 3.979,23 4.086,24 5.864,25 4.01,26 4.794,27 5.02,28 3.862,29 4.011,30 5.837,31 3.929,32 4.745,33 4.967,34 3.755,35 4.001,36 5.707,37 3.891,38 4.799,39 5.046,40 3.66,41 3.993,42 5.798,43 3.836,44 4.802,45 5.1,46 3.471,47 3.856,48 5.594,49 3.678,50 4.586,51 4.887,52 3.407,53 3.626,54 5.501,55 3.503,56 0.02,57 0.772,58 9.784,59 4.563,60 6.033,61 5.907,62 0.112,63 1.268,64 18.425,65 7.833,66 20.03,67 10.47,68 0.248,69 1.614,70 27.929,71 10.31,72 44.928,73 14.047,74 0.33,75 1.517,76 27.105,77 9.258,78 52.202,79 12.551,80 0.285,81 1.397,82 25.214,83 9.275,84 40.833,85 12.833,86 0.363,87 1.453,88 27.369,89 10.626,90 68.25,91 15.108,92 0.256,93 1.375,94 29.424,95 10.537,96 42.088,97 15.344,98 0.268,99 1.114,100 24.418,101 8.132,102 41.755,103 11.573,104 5,105 41,106 0.255,107 0.598,108 0.739,109 0.842,110 0.876,111 0.876,112 3.34,113 0.94,114 -4.68,115 -4.6,116 -4.32,121 44.9,123 4,127 2,144 8,145 3,146 2,148 2,160 1,176 12,180 5,183 1,185 3,187 13,192 6,196 1,197 4,200 8,206 4,209 1,211 6,214 6,222 1,224 5,227 8,237 4,239 6,244 2,247 1,249 6,251 4,256 2,261 2,264 6,268 1,269 5,277 12,281 1149,282 18.621,283 18.621,284 18.621,285 18.621,286 18.621,287 16.465,288 17.304,289 11.201,290 18.836,291 14.83,292 14.83,293 14.83,294 14.83,295 14.83,296 11.494,297 17.298,298 5.325,299 15.186,300 4.101,301 2.062,302 1.224,303 0.612,304 0.408,305 0.408,306 4.043,311 1,312 1,313 678,314 3.24,318 265.28,322 203.913,325 1.588,326 27.037,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 58,338 307,339 4.64,340 3.557,341 6.829,342 4.207,343 3.226,344 4.564,345 1.058,346 11.348,347 3.162,348 4.179,349 3.361,350 6.026,351 3.814,352 2.812,353 3.756,354 0.4,355 8.57,356 2.812,357 3.914,358 2.883,359 5.982,360 3.524,361 2.532,362 3.437,364 8.37,365 2.512,366 3.659,367 2.669,368 5.381,369 3.237,370 2.289,371 3.012,373 6.711,374 2.15,375 3.521,376 2.357,377 5.022,378 3.128,379 2.175,380 2.892,382 6.02,383 2.071,384 2.94,385 1.981,386 4.193,387 2.608,388 1.655,389 2.142,391 3.945,392 1.569,393 2.894,394 1.818,395 4.116,396 2.507,397 1.519,398 1.961,400 3.363,401 1.499,402 2.629,403 1.561,404 3.929,405 2.345,406 1.347,407 1.661,409 3.329,410 1.343,411 2.5,412 1.441,413 3.612,414 2.242,415 1.251,416 1.5,418 2.902,419 1.24,420 2.497,421 1.35,422 3.594,423 2.235,424 1.247,425 1.493,427 2.893,428 1.219,429 2.452,430 1.167,431 3.414,432 2,433 1,434 1.425,436 2.275,437 1,438 1.98,439 1,440 3.318,441 1.778,442 0.793,443 0.909,445 1.885,446 0.777,447 1.549,448 0.638,449 2.891,450 1.255,451 0.3,452 0.355,454 0.684,455 0.284,456 1.153,457 0.426,458 2.671,459 0.824,460 -0.123,461 -0.148,463 -0.306,464 -0.115,465 1.112,466 0.099,467 2.404,468 0.662,469 -0.285,470 -0.364,472 -0.623,473 -0.26,474 12.819,475 0.475,476 0.538,477 0.02,478 35,479 1.296,480 18,481 0.667,482 17,483 0.63,484 21.626,485 0.801,486 28.581,487 0.583,488 24.686,489 0.914,490 6.771,491 0.251,492 6.449,493 0.239,494 0.048,496 0.312,499 1,501 0.626,502 1.046,503 0.77,504 0.983,505 0.513,506 0.912,507 0.626,508 1.095,509 0.877,510 1.082,511 0.517,512 1.032,513 0.907,514 0.997,515 0.886,516 0.941,517 0.804,518 0.91,519 1.172,520 0.956,521 1.126,522 0.978,523 1.076,524 1.021,525 0.843,526 0.903,527 1.15,528 1.071,529 0.779,530 1.14,531 0.421,532 0.958,533 1.059,534 1.211,535 0.374,536 1.241,537 0.557,538 0.843,539 0.903,540 0.986,541 0.476,542 0.997,543 0.928,544 0.709,545 0.774,546 0.7,547 0.866,548 0.696,549 4,550 0.099,551 3.111,552 1.688,553 1.502,554 0.59,555 0.279,556 0.205,557 0.275,558 0.204,559 9664,560 25235,561 2.142,562 44.9,563 6,564 12,567 2,568 2,572 1.698,573 2.051,574 3.422,575 0.194,577 1,582 74.151,583 1.513,584 3.553,585 4.39,586 5.002,587 5.207,588 5.207,589 2.809,590 4.162,591 4.729,592 3.622,593 1271.22,594 8.193,595 16763.4,597 1,599 1,600 275.121,601 1.218,602 4.706,603 0.133,604 0.004,605 0.076,606 0.039,607 0.041,608 0.018,609 0.01,610 0.009,611 0.012,612 0.008,613 0.35,614 0.33,615 1,616 0.454,617 135.085,618 -0.037,619 -0.019,620 0.036,621 0.037,622 -0.016,623 0.048,624 0.041,625 -0.113,626 -0.011,627 -0.087,628 0.06,629 -0.065,630 -0.023,631 -0.033,632 0.075,633 0.024,634 0.013,635 0.059,636 -0.151,637 -0.006,638 -0.154,639 -0.049,640 -0.112,641 -0.089,642 -0.085,643 -0.05,644 -0.221,645 -0.123,646 -0.075,647 -0.182,648 0.196,649 -0.122,650 -0.123,651 -0.23,652 0.192,653 -0.235,654 0.06,655 -0.057,656 0.089,657 -0.027,658 0.044,659 0.023,660 -0.006,661 0.146,662 0.271,663 0.25,664 0.019,665 0.306,666 2.012,667 5.141,668 0.741,669 23.539,670 1,671 1.126,672 3.451,673 11.908,674 0.674,675 3.434,676 3.738,677 4.025,678 4.29,679 4.564,680 4.595,681 4.673,682 4.762,683 4.844,684 4.745,685 6.768,686 0.641,687 363.47,688 3.434,689 4.963,690 5.814,691 6.686,692 7.557,693 8.438,694 9.318,695 10.203,696 11.087,697 11.976,698 6.1,703 1,705 1,708 1,714 2,715 8,716 1,720 5,722 17,729 1,734 1,740 1,741 49,743 18,744 2,745 30,747 52,748 22,749 15,750 4,751 8,752 1,756 4,757 7,767 4,770 4,772 16,773 6,777 1,782 1,786 1,790 1,791 1,793 22,794 5,795 2,796 5,802 3,808 0.5,809 1,822 1,829 4,833 2,859 2,866 1,868 27,876 6,877 2,892 1,893 2,896 1,901 13.167,902 8.676,903 5.972,904 3.17,907 3.275,908 1.431,909 1.022,910 5.241,911 10.881,912 3.701,913 4.304,914 4.918,915 5.507,916 6.102,917 6.359,918 6.667,919 6.964,920 7.268,921 7.137,922 1,923 43,924 10.032,926 4.319,927 0.026,929 7.772,931 19.326,933 16.192,936 2.272,937 61.333,939 1,940 1,941 235.422,942 120.587,943 52.807,945 25.145,946 14.96,948 120.587,949 260.567,950 67.767,952 32.36,953 75.81,954 64.646,955 25.723,956 14.96,957 235.422,959 235.422,960 173.394,961 40.105,964 250.382,965 25.145,968 37.261,969 101.337,970 34.796,972 250.382,973 77.952,974 120.587,977 235.422,978 44.777,979 75.81,980 36.022,981 56.891,982 235.422,983 92.912,984 120.587,986 0.574,987 0.339,988 0.188,989 0.108,990 20,991 8,992 0.096,993 5,994 2,995 1.2,996 3.986,997 228.979,998 0.2,999 20,1000 124.382,1005 17.786,1006 7.956,1007 3.899,1008 2.138,1009 92.912,1010 13.751,1011 4.839,1015 3.764,1017 36.022,1018 448.921,1019 39.5,1024 12.141,1028 -0.196,1031 48.981,1032 55.196,1034 0.27,1035 0.633,1036 0.782,1037 0.891,1038 0.927,1039 0.927,1040 4.922,1041 1.347,1042 5.778,1043 3.363,1044 4.419,1045 4.99,1046 1.27,1047 6.578,1048 4.375,1049 6.117,1050 1.251,1051 7.324,1052 3.329,1053 3.892,1054 4.796,1056 7.476,1057 3.826,1058 7.421,1059 1.247,1060 8.978,1061 2.902,1062 5.989,1063 7.227,1064 1.27,1065 10.608,1066 5.909,1067 8.766,1068 1,1069 10.698,1070 2.893,1071 6.33,1072 7.906,1074 12.391,1075 6.236,1076 10.149,1077 0.793,1078 12.462,1079 2.275,1080 7.86,1081 9.795,1082 1.34,1083 15.038,1084 7.752,1085 11.557,1086 0.3,1087 14.256,1088 1.885,1089 8.621,1090 10.888,1092 17.182,1093 8.501,1094 12.986,1095 -0.123,1096 16.072,1097 0.684,1098 9.915,1099 12.554,1100 1.423,1101 19.675,1102 9.78,1103 3.226,1104 -0.285,1105 17.905,1106 -0.306,1107 10.881,1108 13.857,1110 21.975,1111 10.731,1112 2.812,1113 11.348,1114 19.751,1115 -0.623,1116 12.08,1117 15.427,1118 1.51,1119 24.419,1120 11.914,1121 2.532,1122 8.57,1123 21.607,1124 4.564,1125 13.146,1126 16.836,1128 26.788,1129 12.961,1130 2.289,1131 8.37,1132 23.471,1133 3.756,1134 14.311,1135 18.368,1136 1.599,1137 29.217,1138 14.108,1139 2.175,1140 6.711,1141 25.343,1142 3.437,1143 15.424,1144 19.829,1146 31.617,1147 15.201,1148 1.655,1149 6.02,1150 27.221,1151 3.012,1152 16.58,1153 21.347,1154 1.69,1155 34.044,1156 16.337,1157 1.519,1158 3.945,1159 29.103,1160 2.892,1161 17.717,1162 22.835,1164 36.458,1165 17.452,1166 9071,1167 14806,1168 20.572,1169 33.023,1170 44.474,1171 46.005,1172 45.549,1173 44.367,1174 44.295,1175 58.214,1176 2.917,1177 124.589,1178 43.275,1179 5.588,1180 5.557,1181 6.515,1182 5.247,1183 5.226,1184 7.564,1185 2.117,1186 18.879,1187 5.162,1188 9.745,1189 1.482,1190 1.534,1191 1.518,1192 1.479,1193 1.476,1194 1.94,1195 0.097,1196 4.153,1197 1.442,1198 4.113,1199 4.144,1200 4.074,1201 4.04,1202 8.201,1203 4.045,1204 3.929,1205 3.954,1206 3.883,1207 3.848,1208 7.429,1209 3.851,1210 3.732,1211 3.781,1212 3.618,1213 3.65,1214 4.972,1215 3.636,1216 3.6,1217 3.678,1218 3.479,1219 3.388,1220 4.604,1221 3.397,1222 3.312,1223 3.365,1224 3.231,1225 3.147,1226 4.413,1227 3.153,1228 3.174,1229 3.235,1230 3.065,1231 2.99,1232 4.267,1233 3.005,1234 3.099,1235 3.164,1236 2.957,1237 2.937,1238 3.995,1239 2.934,1240 2.9,1241 2.975,1242 2.713,1243 2.758,1244 3.92,1245 2.738,1246 0.155,1247 0.119,1248 0.228,1249 0.14,1250 0.108,1251 4.64,1252 0.152,1253 3.557,1254 0.035,1255 6.829,1256 0.378,1257 4.207,1258 0.105,1259 3.226,1260 4.564,1261 1.058,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.158,1267 2.163,1268 1.434,1269 2.163,1270 1.895,1271 1.873,1272 1.993,1273 2.002,1274 1.16,1275 1.998,1276 1.754,1277 1.709,1278 1.949,1279 1.873,1280 1.084,1281 1.902,1282 1.557,1283 1.481,1284 1.801,1285 1.796,1286 1.019,1287 1.803,1288 1.263,1289 1.213,1290 1.47,1291 1.473,1292 0.754,1293 1.462,1294 1.136,1295 1.069,1296 1.426,1297 1.352,1298 0.613,1299 1.381,1300 1.071,1301 1.026,1302 1.247,1303 1.301,1304 0.307,1305 1.301,1306 0.913,1307 0.847,1308 1.181,1309 1.102,1310 0.226,1311 1.125,1312 4.111,1314 5.416,1316 6.934,1318 8.555,1320 10.232,1324 12.963,1328 5.539,1329 6.394,1340 31.43,1341 74.151,1342 174.101,1343 215.121,1344 245.121,1345 255.121,1346 255.121,1347 46.065,1348 7.605,1349 54.02,1350 54.02,1351 24,1352 12.507,1353 4.248,1354 3.392,1355 40.376,1356 109,1357 120,1358 0.176,1359 191.459,1360 331.12,1361 458.92,1362 23092,1363 2,1364 18.64,1365 0.69,1366 0.559,1367 17.769,1368 15.095,1369 13.22,1370 0.441,1371 0.313,1372 9.309,1373 12.837,1374 9.155,1375 7.549,1376 12.826,1377 9.403,1378 11.598,1379 0.283,1380 0.166,1381 10.976,1382 6.826,1383 9.953,1384 0.181,1385 0.091,1386 9.543,1387 4.988,1388 8.257,1389 0.115,1390 0.051,1391 8.105,1392 3.641,1393 7.076,1394 0.074,1395 0.029,1396 6.865,1397 2.722,1398 0.281,1399 82.082,1400 0.22,1401 26.158,1402 0.471,1403 142,1404 424.157,1405 153.54,1406 390.309,1407 531.65,1408 366,1409 167,1410 388.167,1411 177.926,1412 388.332,1413 570.31,1414 369,1415 9.089}
{0 CHEMBL1814730,1 1.492,2 12.214,3 4.47,4 19.98,5 109.88,6 7.26,7 0.548,8 4.037,9 4.162,10 3.582,11 3.621,12 5.1,13 3.586,14 4.587,15 4.763,16 3.926,17 4.02,18 5.637,19 3.956,20 4.894,21 5.132,22 4.004,23 4.134,24 5.896,25 4.05,26 4.864,27 5.099,28 3.892,29 4.063,30 5.879,31 3.973,32 4.807,33 5.036,34 3.778,35 4.058,36 5.724,37 3.942,38 4.86,39 5.105,40 3.692,41 4.067,42 5.852,43 3.901,44 4.869,45 5.159,46 3.48,47 3.958,48 5.609,49 3.759,50 4.722,51 5.035,52 3.378,53 3.72,54 5.529,55 3.549,56 0.026,57 0.812,58 10.72,59 4.92,60 5.504,61 6.468,62 0.125,63 1.335,64 20.129,65 8.453,66 20.228,67 11.46,68 0.24,69 1.694,70 30.181,71 11.017,72 44.943,73 15.299,74 0.389,75 1.605,76 29.629,77 9.961,78 53.546,79 13.781,80 0.263,81 1.47,82 27.264,83 9.992,84 37.409,85 13.973,86 0.444,87 1.52,88 29.268,89 11.538,90 74.438,91 16.357,92 0.203,93 1.453,94 30.785,95 11.811,96 40.382,97 17.07,98 0.288,99 1.268,100 27.751,101 9.412,102 42.512,103 13.757,104 5,105 42,106 0.248,107 0.583,108 0.732,109 0.846,110 0.878,111 0.878,112 3.374,113 0.958,114 -4.89,115 -4.8,116 -4.5,121 44.2,123 5,127 2,144 8,145 3,146 2,148 2,160 1,176 12,180 5,183 1,185 5,187 13,192 6,197 4,200 8,206 5,209 1,210 1,211 6,214 9,224 2,227 12,232 1,235 1,237 3,239 12,249 4,251 4,256 2,259 1,261 6,264 2,269 2,274 2,277 6,281 1258,282 19.328,283 19.328,284 19.328,285 19.328,286 19.328,287 17.172,288 19.349,289 11.701,290 19.541,291 15.33,292 15.33,293 15.33,294 15.33,295 15.33,296 11.994,297 21.262,298 5.575,299 15.684,300 4.208,301 2.193,302 1.298,303 0.615,304 0.423,305 0.423,306 4.077,311 1,312 1,313 754,314 3.391,318 284.856,322 218.64,325 1.699,326 27.309,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 60,338 342,339 4.64,340 3.557,341 6.829,342 4.207,343 3.226,344 4.564,345 1.058,346 11.348,347 3.162,348 4.179,349 3.361,350 6.026,351 3.814,352 2.812,353 3.756,354 0.4,355 8.57,356 2.812,357 3.914,358 2.883,359 5.982,360 3.524,361 2.532,362 3.437,364 8.37,365 2.512,366 3.658,367 2.669,368 5.381,369 3.237,370 2.289,371 3.012,373 6.711,374 2.15,375 3.522,376 2.356,377 5.022,378 3.132,379 2.179,380 2.893,382 6.02,383 2.075,384 2.941,385 1.983,386 4.193,387 2.691,388 1.726,389 2.142,391 3.969,392 1.66,393 2.907,394 1.851,395 4.116,396 2.513,397 1.525,398 1.972,400 3.428,401 1.504,402 2.669,403 1.6,404 3.948,405 2.345,406 1.358,407 1.692,409 3.329,410 1.343,411 2.549,412 1.451,413 3.649,414 2.338,415 1.347,416 1.544,418 3.069,419 1.317,420 2.5,421 1.35,422 3.594,423 2.242,424 1.247,425 1.5,427 2.902,428 1.24,429 2.485,430 1.318,431 3.442,432 2,433 1,434 1.482,436 2.275,437 1,438 2.094,439 1,440 3.414,441 1.921,442 0.94,443 1.047,445 2.216,446 0.916,447 1.745,448 0.816,449 2.969,450 1.507,451 0.531,452 0.617,454 1.185,455 0.515,456 1.326,457 0.449,458 2.805,459 1.008,460 0.053,461 0.063,463 0.129,464 0.05,465 1.114,466 0.275,467 2.404,468 0.693,469 -0.233,470 -0.285,472 -0.516,473 -0.209,474 13.319,475 0.476,476 0.538,477 0.019,478 35.5,479 1.268,480 18,481 0.643,482 17.5,483 0.625,484 23.377,485 0.835,486 29.881,487 0.575,488 24.899,489 0.889,490 6.776,491 0.242,492 6.944,493 0.248,494 0.046,496 0.3,499 1,501 0.626,502 1.063,503 0.792,504 1.005,505 0.512,506 0.936,507 0.624,508 1.108,509 0.895,510 1.101,511 0.513,512 1.051,513 0.913,514 1.034,515 0.881,516 0.951,517 0.794,518 0.912,519 1.163,520 0.891,521 1.113,522 0.934,523 1.059,524 0.989,525 0.895,526 0.877,527 1.145,528 1.046,529 0.802,530 1.111,531 0.418,532 0.902,533 1.084,534 1.188,535 0.439,536 1.24,537 0.491,538 0.944,539 0.95,540 1.111,541 0.476,542 1.111,543 0.74,544 0.825,545 0.846,546 0.854,547 0.648,548 0.858,549 4,550 0.169,551 3.111,552 1.688,553 1.502,554 0.646,555 0.32,556 0.142,557 0.156,558 0.221,559 11077,560 28340,561 2.137,562 46.2,563 6,564 12,567 2,568 2,570 2,572 1.706,573 2.049,574 3.508,575 0.176,577 1,582 77.587,583 1.492,584 3.507,585 4.402,586 5.085,587 5.277,588 5.277,589 2.86,590 4.164,591 4.782,592 3.725,593 1408.15,594 8.288,595 19484,597 1,599 1,600 296.423,601 1.198,602 4.76,603 0.129,604 0.007,605 0.074,606 0.038,607 0.04,608 0.019,609 0.011,610 0.006,611 0.007,612 0.01,613 0.341,614 0.33,615 1,616 0.444,617 142.97,618 -0.033,619 -0.019,620 0.037,621 0.035,622 -0.011,623 0.046,624 0.045,625 -0.118,626 -0.014,627 -0.093,628 0.066,629 -0.07,630 -0.033,631 -0.072,632 0.085,633 0.017,634 0.018,635 0.062,636 -0.126,637 0.062,638 -0.13,639 -0.008,640 -0.099,641 -0.056,642 -0.138,643 -0.018,644 -0.21,645 -0.091,646 -0.101,647 -0.146,648 0.218,649 -0.06,650 -0.152,651 -0.196,652 0.187,653 -0.232,654 0.049,655 -0.164,656 0.008,657 -0.128,658 0.024,659 -0.081,660 0.046,661 0.018,662 0.171,663 0.086,664 0.033,665 0.139,666 2.006,667 5.093,668 0.714,669 25.852,670 0.997,671 1.127,672 3.664,673 13.424,674 0.669,675 3.466,676 3.761,677 4.043,678 4.304,679 4.575,680 4.605,681 4.673,682 4.745,683 4.812,684 4.71,685 7.266,686 0.634,687 377.5,688 3.466,689 4.99,690 5.838,691 6.706,692 7.574,693 8.452,694 9.329,695 10.212,696 11.094,697 11.981,698 5.8,703 1,705 1,708 1,714 2,715 8,716 1,720 5,722 17,729 1,734 1,740 1,741 52,743 18,744 2,745 31,747 55,748 23,749 15,750 4,751 8,752 1,756 4,757 7,767 4,770 5,772 16,773 7,777 1,782 1,786 1,790 1,791 1,793 24,794 5,795 2,796 5,802 3,808 0.5,809 1,822 1,829 4,833 2,859 2,866 1,868 28,876 7,877 2,892 1,893 1.9,896 1,901 13.667,902 9.176,903 6.222,904 3.42,907 3.248,908 1.425,909 1.015,910 5.755,911 10.898,912 3.726,913 4.317,914 4.925,915 5.511,916 6.104,917 6.361,918 6.663,919 6.951,920 7.244,921 7.087,922 0.875,923 44,924 10.409,926 4.459,927 0.026,929 7.744,931 20.143,933 16.858,936 2.244,937 62.833,939 1,940 1,941 258.964,942 123.121,943 52.807,945 25.145,946 14.96,948 123.121,949 284.109,950 67.767,952 34.895,953 75.81,954 64.646,955 25.723,956 14.96,957 258.964,959 258.964,960 175.928,961 40.105,964 250.382,965 48.687,968 39.796,969 101.337,970 34.796,972 273.924,973 77.952,974 123.121,977 258.964,978 47.311,979 75.81,980 36.022,981 56.891,982 258.964,983 92.912,984 123.121,986 0.571,987 0.336,988 0.186,989 0.108,990 20,991 8,992 0.109,993 6,994 2,995 1.2,996 4.111,997 236.972,998 0.2,999 20,1000 130.606,1005 18.739,1006 8.6,1007 4.297,1008 2.203,1009 92.912,1010 13.861,1011 4.86,1015 3.903,1017 36.022,1018 474.998,1019 40.5,1024 12.093,1028 -0.174,1031 51.865,1032 58.611,1034 0.262,1035 0.615,1036 0.772,1037 0.892,1038 0.926,1039 0.926,1040 4.943,1041 1.358,1042 5.796,1043 3.428,1044 4.443,1045 5.004,1046 1.27,1047 6.589,1048 4.4,1049 6.132,1050 1.347,1051 7.338,1052 3.329,1053 3.892,1054 4.796,1056 7.476,1057 3.826,1058 7.433,1059 1.247,1060 8.987,1061 3.069,1062 6.004,1063 7.232,1064 1.27,1065 10.611,1066 5.925,1067 8.774,1068 1,1069 10.704,1070 2.902,1071 6.33,1072 7.906,1074 12.391,1075 6.236,1076 10.154,1077 0.94,1078 12.465,1079 2.275,1080 7.867,1081 9.796,1082 1.34,1083 15.038,1084 7.761,1085 11.56,1086 0.531,1087 14.258,1088 2.216,1089 8.621,1090 10.888,1092 17.182,1093 8.501,1094 12.988,1095 0.053,1096 16.074,1097 1.185,1098 9.918,1099 12.554,1100 1.423,1101 19.675,1102 9.784,1103 3.226,1104 -0.233,1105 17.906,1106 0.129,1107 10.881,1108 13.857,1110 21.975,1111 10.731,1112 2.812,1113 11.348,1114 19.752,1115 -0.516,1116 12.082,1117 15.427,1118 1.51,1119 24.419,1120 11.916,1121 2.532,1122 8.57,1123 21.607,1124 4.564,1125 13.146,1126 16.836,1128 26.788,1129 12.961,1130 2.289,1131 8.37,1132 23.472,1133 3.756,1134 14.311,1135 18.368,1136 1.599,1137 29.217,1138 14.109,1139 2.179,1140 6.711,1141 25.343,1142 3.437,1143 15.424,1144 19.829,1146 31.617,1147 15.201,1148 1.726,1149 6.02,1150 27.221,1151 3.012,1152 16.58,1153 21.347,1154 1.69,1155 34.044,1156 16.337,1157 1.525,1158 3.969,1159 29.103,1160 2.893,1161 17.717,1162 22.835,1164 36.458,1165 17.452,1166 10389,1167 16773,1168 21.266,1169 34.785,1170 45.677,1171 47.188,1172 46.872,1173 45.587,1174 45.531,1175 59.443,1176 2.917,1177 127.041,1178 44.513,1179 5.59,1180 5.557,1181 6.594,1182 5.247,1183 5.226,1184 7.564,1185 2.117,1186 18.879,1187 5.162,1188 10.088,1189 1.473,1190 1.522,1191 1.512,1192 1.471,1193 1.469,1194 1.918,1195 0.094,1196 4.098,1197 1.436,1198 4.113,1199 4.144,1200 4.074,1201 4.041,1202 8.201,1203 4.045,1204 3.931,1205 3.957,1206 3.884,1207 3.849,1208 7.429,1209 3.852,1210 3.733,1211 3.781,1212 3.618,1213 3.65,1214 4.972,1215 3.637,1216 3.656,1217 3.729,1218 3.518,1219 3.479,1220 4.604,1221 3.475,1222 3.367,1223 3.43,1224 3.282,1225 3.176,1226 4.413,1227 3.184,1228 3.215,1229 3.265,1230 3.103,1231 3.041,1232 4.266,1233 3.061,1234 3.127,1235 3.199,1236 3,1237 2.962,1238 4.04,1239 2.959,1240 2.942,1241 3.025,1242 2.75,1243 2.765,1244 3.963,1245 2.747,1246 0.15,1247 0.115,1248 0.22,1249 0.136,1250 0.104,1251 4.64,1252 0.147,1253 3.557,1254 0.034,1255 6.829,1256 0.366,1257 4.207,1258 0.102,1259 3.226,1260 4.564,1261 1.058,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.158,1267 2.163,1268 1.435,1269 2.163,1270 1.896,1271 1.874,1272 1.996,1273 2.004,1274 1.217,1275 2.001,1276 1.754,1277 1.709,1278 1.95,1279 1.873,1280 1.134,1281 1.902,1282 1.639,1283 1.567,1284 1.886,1285 1.844,1286 1.055,1287 1.862,1288 1.304,1289 1.247,1290 1.512,1291 1.549,1292 0.759,1293 1.536,1294 1.163,1295 1.117,1296 1.441,1297 1.368,1298 0.647,1299 1.381,1300 1.124,1301 1.052,1302 1.361,1303 1.34,1304 0.535,1305 1.367,1306 0.931,1307 0.861,1308 1.181,1309 1.168,1310 0.25,1311 1.17,1312 4.143,1314 5.442,1316 6.954,1318 8.568,1320 10.241,1324 12.95,1328 6.652,1329 6.486,1340 32.957,1341 77.587,1342 182.365,1343 228.913,1344 264.423,1345 274.423,1346 274.423,1347 48.965,1348 7.65,1349 54.02,1350 54.02,1351 24,1352 12.514,1353 4.248,1354 3.392,1355 42.723,1356 123,1357 130,1358 0.166,1359 201.051,1360 348.42,1361 482.326,1362 25135,1363 1.9,1364 19.347,1365 0.691,1366 0.564,1367 18.476,1368 15.802,1369 13.72,1370 0.443,1371 0.319,1372 9.809,1373 13.336,1374 9.645,1375 7.965,1376 13.326,1377 9.903,1378 11.952,1379 0.285,1380 0.171,1381 11.33,1382 7.179,1383 10.203,1384 0.182,1385 0.093,1386 9.793,1387 5.217,1388 8.434,1389 0.116,1390 0.052,1391 8.282,1392 3.782,1393 7.197,1394 0.075,1395 0.029,1396 6.985,1397 2.829,1398 0.267,1399 85.082,1400 0.217,1401 27.189,1402 0.434,1403 146,1404 428.157,1405 157.54,1406 394.471,1407 537.41,1408 370,1409 171,1410 392.167,1411 181.898,1412 392.492,1413 576.03,1414 373,1415 9.092}
{0 CHEMBL1814731,1 1.472,2 13.034,3 5.05,4 25.501,5 114.523,6 7.119,7 0.531,8 4.086,9 4.214,10 3.614,11 3.667,12 5.131,13 3.628,14 4.643,15 4.823,16 3.952,17 4.067,18 5.67,19 3.996,20 4.954,21 5.198,22 4.028,23 4.183,24 5.929,25 4.09,26 4.926,27 5.168,28 3.919,29 4.113,30 5.91,31 4.015,32 4.876,33 5.114,34 3.81,35 4.108,36 5.771,37 3.985,38 4.915,39 5.165,40 3.716,41 4.121,42 5.866,43 3.951,44 4.925,45 5.212,46 3.518,47 4.035,48 5.674,49 3.83,50 4.795,51 5.098,52 3.387,53 3.836,54 5.545,55 3.641,56 0.032,57 0.851,58 11.642,59 5.276,60 5.863,61 7.023,62 0.138,63 1.401,64 21.791,65 9.067,66 21.406,67 12.431,68 0.256,69 1.776,70 32.374,71 11.789,72 46.364,73 16.571,74 0.376,75 1.683,76 31.822,77 10.65,78 54.273,79 15.033,80 0.319,81 1.558,82 29.696,83 10.711,84 40.176,85 15.171,86 0.422,87 1.592,88 31.133,89 12.236,90 72.348,91 17.393,92 0.276,93 1.519,94 32.367,95 12.681,96 45.799,97 18.202,98 0.234,99 1.347,100 29.073,101 10.689,102 41.261,103 15.469,104 5,105 43,106 0.242,107 0.568,108 0.718,109 0.832,110 0.868,111 0.88,112 3.407,113 0.975,114 -5.1,115 -5,116 -4.68,121 43.6,123 6,127 2,144 8,145 3,146 2,148 2,160 1,176 13,180 5,183 1,185 5,187 13,192 6,197 6,200 8,206 5,209 1,211 6,214 9,219 1,223 1,224 2,227 15,232 1,239 16,244 1,247 1,249 3,251 10,261 4,264 2,269 2,272 1,274 6,277 2,281 1395,282 20.035,283 20.035,284 20.035,285 20.035,286 20.035,287 17.88,288 19.349,289 12.201,290 20.248,291 15.83,292 15.83,293 15.83,294 15.83,295 15.83,296 12.494,297 18.762,298 5.825,299 16.183,300 4.309,301 2.327,302 1.418,303 0.727,304 0.509,305 0.436,306 4.11,311 1,312 1,313 832,314 3.536,318 304.509,322 233.515,325 1.826,326 27.508,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 62,338 378,339 4.64,340 3.557,341 6.829,342 4.207,343 3.226,344 4.564,345 1.058,346 11.348,347 3.162,348 4.179,349 3.361,350 6.026,351 3.814,352 2.812,353 3.756,354 0.4,355 8.57,356 2.812,357 3.914,358 2.883,359 5.982,360 3.524,361 2.532,362 3.437,364 8.37,365 2.512,366 3.658,367 2.669,368 5.381,369 3.237,370 2.288,371 3.012,373 6.711,374 2.15,375 3.522,376 2.356,377 5.022,378 3.134,379 2.181,380 2.893,382 6.021,383 2.077,384 2.942,385 1.985,386 4.194,387 2.759,388 1.784,389 2.142,391 3.984,392 1.737,393 2.916,394 1.876,395 4.116,396 2.516,397 1.531,398 1.979,400 3.504,401 1.507,402 2.722,403 1.642,404 3.96,405 2.411,406 1.438,407 1.737,409 3.329,410 1.387,411 2.58,412 1.469,413 3.694,414 2.345,415 1.347,416 1.595,418 3.178,419 1.343,420 2.5,421 1.402,422 3.594,423 2.242,424 1.247,425 1.5,427 2.902,428 1.24,429 2.487,430 1.35,431 3.516,432 2.062,433 1.079,434 1.486,436 2.481,437 1.053,438 2.223,439 1,440 3.414,441 2,442 1,443 1.187,445 2.275,446 1,447 1.884,448 0.975,449 3.105,450 1.687,451 0.699,452 0.798,454 1.591,455 0.687,456 1.476,457 0.549,458 2.859,459 1.215,460 0.254,461 0.294,463 0.575,464 0.243,465 1.134,466 0.415,467 2.582,468 0.843,469 -0.111,470 -0.131,472 -0.271,473 -0.105,474 13.819,475 0.477,476 0.538,477 0.019,478 36,479 1.241,480 18,481 0.621,482 18,483 0.621,484 25.158,485 0.868,486 31.181,487 0.567,488 25.104,489 0.866,490 6.776,491 0.234,492 7.444,493 0.257,494 0.045,496 0.289,499 1,501 0.628,502 1.078,503 0.813,504 1.025,505 0.512,506 0.958,507 0.621,508 1.121,509 0.912,510 1.118,511 0.509,512 1.069,513 0.899,514 1.029,515 0.876,516 0.95,517 0.782,518 0.911,519 1.162,520 0.933,521 1.094,522 0.945,523 1.043,524 0.986,525 0.893,526 0.817,527 1.132,528 1,529 0.791,530 1.074,531 0.475,532 0.88,533 1.085,534 1.16,535 0.467,536 1.209,537 0.489,538 0.893,539 0.979,540 1.096,541 0.537,542 1.118,543 0.655,544 0.935,545 0.901,546 1,547 0.64,548 0.994,549 4,550 0.182,551 3.111,552 1.688,553 1.502,554 0.646,555 0.361,556 0.174,557 0.106,558 0.122,559 12614,560 31637,561 2.132,562 47.3,563 6,564 12,567 2,568 2,569 4,572 1.713,573 2.047,574 3.588,575 0.16,582 80.969,583 1.472,584 3.454,585 4.363,586 5.054,587 5.272,588 5.345,589 2.978,590 4.142,591 4.833,592 3.822,593 1551.74,594 8.38,595 22490.7,597 1,600 317.975,601 1.178,602 4.812,603 0.125,604 0.008,605 0.072,606 0.038,607 0.039,608 0.018,609 0.012,610 0.007,611 0.005,612 0.006,613 0.33,614 0.33,615 1,616 0.434,617 150.909,618 -0.03,619 -0.019,620 0.038,621 0.033,622 -0.006,623 0.045,624 0.049,625 -0.123,626 -0.017,627 -0.099,628 0.07,629 -0.076,630 -0.023,631 -0.068,632 0.092,633 0.021,634 0.027,635 0.066,636 -0.131,637 0.018,638 -0.107,639 -0.014,640 -0.089,641 -0.046,642 -0.117,643 0.051,644 -0.186,645 -0.048,646 -0.092,647 -0.11,648 0.159,649 -0.031,650 -0.153,651 -0.166,652 0.155,653 -0.201,654 0.069,655 -0.105,656 -0.033,657 -0.106,658 0.017,659 -0.093,660 0.035,661 -0.105,662 0.078,663 -0.03,664 0.011,665 0.017,666 2.001,667 5.061,668 0.69,669 28.383,670 0.995,671 1.128,672 3.873,673 15.002,674 0.664,675 3.497,676 3.784,677 4.06,678 4.317,679 4.585,680 4.615,681 4.682,682 4.745,683 4.796,684 4.673,685 7.763,686 0.627,687 391.53,688 3.497,689 5.017,690 5.861,691 6.725,692 7.59,693 8.465,694 9.34,695 10.221,696 11.102,697 11.987,698 5.5,703 1,705 1,708 1,714 2,715 8,716 1,720 5,722 17,729 1,734 1,740 1,741 55,743 18,744 2,745 32,747 58,748 24,749 15,750 4,751 8,752 1,756 4,757 7,767 4,770 6,772 16,773 8,777 1,782 1,786 1,791 1,793 26,794 5,795 2,796 5,802 3,808 0.5,809 1,822 1,829 4,833 2,859 2,866 1,868 29,876 8,877 2,892 1,893 1.8,896 1,901 14.167,902 9.676,903 6.472,904 3.67,907 3.222,908 1.419,909 1.009,910 6.288,911 10.915,912 3.75,913 4.331,914 4.933,915 5.515,916 6.106,917 6.362,918 6.664,919 6.948,920 7.234,921 7.058,922 1,923 45,924 10.786,926 4.6,927 0.026,929 7.718,931 20.959,933 17.525,936 2.218,937 64.333,940 1,941 282.506,942 125.656,943 52.807,945 25.145,946 14.96,948 125.656,949 307.651,950 67.767,952 37.429,953 75.81,954 64.646,955 25.723,956 14.96,957 282.506,959 282.506,960 178.463,961 40.105,964 250.382,965 72.229,968 42.33,969 101.337,970 34.796,972 297.467,973 77.952,974 125.656,977 282.506,978 49.846,979 75.81,980 36.022,981 56.891,982 282.506,983 92.912,984 125.656,986 0.569,987 0.333,988 0.184,989 0.107,990 20,991 8,992 0.121,993 7,994 2,995 1.2,996 4.234,997 245.075,998 0.2,999 20,1000 136.881,1005 19.695,1006 9.258,1007 4.695,1008 2.25,1009 92.912,1010 13.946,1011 4.877,1015 4.002,1017 36.022,1018 501.075,1019 41.5,1024 12.061,1028 -0.16,1031 54.749,1032 62.026,1034 0.255,1035 0.597,1036 0.755,1037 0.874,1038 0.912,1039 0.925,1040 4.965,1041 1.438,1042 5.814,1043 3.504,1044 4.466,1045 5.017,1046 1.27,1047 6.6,1048 4.424,1049 6.147,1050 1.347,1051 7.351,1052 3.329,1053 3.892,1054 4.796,1056 7.476,1057 3.826,1058 7.444,1059 1.247,1060 8.996,1061 3.178,1062 6.019,1063 7.236,1064 1.27,1065 10.613,1066 5.941,1067 8.782,1068 1.079,1069 10.709,1070 2.902,1071 6.33,1072 7.906,1074 12.391,1075 6.236,1076 10.16,1077 1,1078 12.469,1079 2.481,1080 7.875,1081 9.797,1082 1.34,1083 15.039,1084 7.769,1085 11.564,1086 0.699,1087 14.26,1088 2.275,1089 8.621,1090 10.888,1092 17.182,1093 8.501,1094 12.991,1095 0.254,1096 16.075,1097 1.591,1098 9.921,1099 12.554,1100 1.423,1101 19.675,1102 9.788,1103 3.226,1104 -0.111,1105 17.907,1106 0.575,1107 10.881,1108 13.857,1110 21.975,1111 10.731,1112 2.812,1113 11.348,1114 19.752,1115 -0.271,1116 12.083,1117 15.427,1118 1.51,1119 24.419,1120 11.917,1121 2.532,1122 8.57,1123 21.608,1124 4.564,1125 13.146,1126 16.836,1128 26.788,1129 12.961,1130 2.288,1131 8.37,1132 23.472,1133 3.756,1134 14.312,1135 18.368,1136 1.599,1137 29.217,1138 14.109,1139 2.181,1140 6.711,1141 25.343,1142 3.437,1143 15.424,1144 19.829,1146 31.617,1147 15.201,1148 1.784,1149 6.021,1150 27.221,1151 3.012,1152 16.58,1153 21.347,1154 1.69,1155 34.044,1156 16.337,1157 1.531,1158 3.984,1159 29.104,1160 2.893,1161 17.717,1162 22.835,1164 36.458,1165 17.452,1166 11825,1167 18892,1168 21.959,1169 36.546,1170 46.976,1171 48.532,1172 48.135,1173 46.918,1174 46.84,1175 60.758,1176 2.917,1177 129.674,1178 45.819,1179 5.593,1180 5.557,1181 6.651,1182 5.247,1183 5.226,1184 7.564,1185 2.117,1186 18.879,1187 5.162,1188 10.42,1189 1.468,1190 1.517,1191 1.504,1192 1.466,1193 1.464,1194 1.899,1195 0.091,1196 4.052,1197 1.432,1198 4.114,1199 4.145,1200 4.074,1201 4.041,1202 8.201,1203 4.045,1204 3.932,1205 3.958,1206 3.885,1207 3.85,1208 7.429,1209 3.853,1210 3.733,1211 3.781,1212 3.619,1213 3.651,1214 4.972,1215 3.637,1216 3.696,1217 3.766,1218 3.549,1219 3.542,1220 4.604,1221 3.531,1222 3.426,1223 3.497,1224 3.329,1225 3.214,1226 4.413,1227 3.226,1228 3.251,1229 3.301,1230 3.142,1231 3.091,1232 4.267,1233 3.104,1234 3.143,1235 3.216,1236 3.024,1237 2.97,1238 4.09,1239 2.97,1240 3.037,1241 3.107,1242 2.86,1243 2.848,1244 3.972,1245 2.841,1246 0.145,1247 0.111,1248 0.213,1249 0.131,1250 0.101,1251 4.64,1252 0.143,1253 3.557,1254 0.033,1255 6.829,1256 0.355,1257 4.207,1258 0.099,1259 3.226,1260 4.564,1261 1.058,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.435,1269 2.163,1270 1.897,1271 1.874,1272 2.001,1273 2.006,1274 1.286,1275 2.004,1276 1.754,1277 1.709,1278 1.952,1279 1.881,1280 1.143,1281 1.907,1282 1.695,1283 1.626,1284 1.936,1285 1.871,1286 1.06,1287 1.897,1288 1.363,1289 1.296,1290 1.605,1291 1.623,1292 0.814,1293 1.619,1294 1.215,1295 1.166,1296 1.456,1297 1.406,1298 0.747,1299 1.412,1300 1.132,1301 1.058,1302 1.412,1303 1.348,1304 0.604,1305 1.381,1306 1.007,1307 0.95,1308 1.219,1309 1.251,1310 0.311,1311 1.252,1312 4.174,1314 5.468,1316 6.973,1318 8.582,1320 10.25,1324 12.942,1328 7.871,1329 6.545,1340 34.484,1341 80.969,1342 189.975,1343 239.975,1344 277.975,1345 289.975,1346 293.975,1347 51.892,1348 7.693,1349 54.02,1350 54.02,1351 24,1352 12.521,1353 4.248,1354 3.392,1355 45.118,1356 137,1357 141,1358 0.157,1359 210.644,1360 365.72,1361 505.731,1362 27269,1363 1.8,1364 20.054,1365 0.692,1366 0.569,1367 19.184,1368 16.509,1369 14.22,1370 0.444,1371 0.325,1372 10.309,1373 13.836,1374 10.135,1375 8.382,1376 13.826,1377 10.403,1378 12.305,1379 0.286,1380 0.175,1381 11.683,1382 7.533,1383 10.453,1384 0.183,1385 0.096,1386 10.043,1387 5.467,1388 8.61,1389 0.116,1390 0.053,1391 8.459,1392 3.943,1393 7.322,1394 0.075,1395 0.03,1396 7.11,1397 2.928,1398 0.255,1399 88.082,1400 0.213,1401 28.201,1402 0.403,1403 150,1404 432.157,1405 161.54,1406 398.632,1407 543.17,1408 374,1409 175,1410 396.167,1411 185.898,1412 396.654,1413 581.79,1414 377,1415 9.106}
{0 CHEMBL181867,1 1.441,2 13.762,3 3.609,4 13.022,5 81.86,6 5.931,8 3.954,9 4.1,10 3.266,11 3.309,12 4.915,13 3.262,14 4.548,15 4.776,16 3.453,17 3.62,18 5.561,19 3.496,20 4.778,21 5.076,22 3.378,23 3.68,24 5.545,25 3.524,26 4.72,27 4.993,28 3.356,29 3.568,30 5.658,31 3.458,32 4.608,33 4.868,34 3.295,35 3.473,36 5.589,37 3.385,38 4.514,39 4.752,40 3.25,41 3.426,42 5.568,43 3.333,44 4.466,45 4.713,46 3.069,47 3.405,48 5.426,49 3.276,50 4.439,51 4.722,52 3.031,53 3.414,54 5.356,55 3.222,56 0.028,57 0.621,58 12.829,59 4.522,60 5.493,61 6.738,62 0.603,63 0.848,64 22.88,65 6.785,66 49.781,67 10.479,68 0.346,69 0.901,70 27.011,71 7.357,72 34.902,73 12.036,74 0.491,75 0.812,76 26.516,77 6.11,78 54.071,79 10.306,80 0.483,81 0.73,82 24.056,83 5.455,84 51.199,85 9.089,86 0.517,87 0.682,88 22.078,89 5.41,90 54.734,91 8.653,92 0.401,93 0.671,94 20.606,95 5.379,96 48.291,97 8.559,98 0.526,99 0.677,100 19.483,101 5.869,102 50.256,103 9.139,104 49,105 21,106 0.253,107 0.409,108 0.628,109 0.722,110 0.722,111 0.722,112 3.098,113 1.202,114 -2.78,115 -2.79,116 -2.7,121 29.4,122 2,123 7,127 4,161 2,176 6,179 2,180 2,183 4,185 2,187 3,192 2,197 2,206 8,211 4,219 6,224 2,231 1,232 6,237 2,239 2,251 4,255 2,259 2,264 6,277 4,281 700,282 14.209,283 14.209,284 14.209,285 14.209,286 14.209,287 13.899,288 14.51,289 9.686,290 14.595,291 9.847,292 9.847,293 9.847,294 9.847,295 9.847,296 9.243,297 12.515,298 4.617,299 10.377,300 4.232,301 3.338,302 2.094,303 1.559,304 1.559,305 1.559,306 3.725,312 1,313 540,314 4.583,325 2.177,326 23.906,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 47,338 289,339 3.661,340 3.638,341 5.036,342 3.325,343 2.387,344 2.83,345 2.186,346 6.094,347 2.212,348 3.657,349 3.637,350 5.034,351 3.315,352 2.377,353 2.827,354 2.186,355 6.09,356 2.202,357 2.815,358 2.067,359 3.837,360 2.781,361 1.802,362 1.814,363 0.366,364 3.637,365 1.76,366 2.643,367 1.899,368 3.636,369 2.602,370 1.628,371 1.64,372 0.366,373 3.157,374 1.583,375 2.618,376 1.783,377 3.552,378 2.564,379 1.572,380 1.609,382 3.012,383 1.555,384 2.308,385 1.774,386 3.29,387 2.198,388 1.247,389 1.284,391 2.48,392 1.173,393 1.808,394 1.261,395 2.913,396 1.734,397 0.806,398 0.806,400 1.5,401 0.741,402 1.749,403 1.046,404 2.635,405 1.641,406 0.668,407 0.692,409 1.111,410 0.645,411 1.618,412 1.038,413 2.329,414 1.404,415 0.445,416 0.479,418 0.786,419 0.42,420 1,421 0.537,422 2,423 0.811,424 -0.118,425 -0.121,427 -0.228,428 -0.109,429 0.766,430 0.188,431 1.687,432 0.609,433 -0.381,434 -0.397,436 -0.614,437 -0.371,438 0.755,439 -0.015,440 1.459,441 0.572,442 -0.445,443 -0.501,445 -0.747,446 -0.444,447 0.382,448 -0.245,449 1.322,450 0.171,451 -0.827,452 -0.933,454 -1.774,455 -0.814,457 -0.502,458 1,459 -0.204,460 -1.215,461 -1.344,463 -2.428,464 -1.221,465 -0.157,466 -0.921,467 0.731,468 -0.254,469 -1.247,470 -1.402,472 -2.45,473 -1.246,474 9.633,475 0.459,476 0.212,477 0.01,478 15.5,479 0.738,480 3,481 0.143,482 12.5,483 0.595,484 21.102,485 1.005,486 27.567,487 0.541,488 10.133,489 0.483,490 2.747,491 0.131,492 7.455,493 0.355,494 0.173,496 0.104,501 0.805,502 1.856,503 1.056,504 1.691,505 0.584,506 1.443,507 0.616,508 1.27,509 1.076,510 1.315,511 0.439,512 1.292,513 0.887,514 1.036,515 0.855,516 0.991,517 0.73,518 0.923,519 1.508,520 0.952,521 1.101,522 0.882,523 1.486,524 0.903,525 1.723,526 0.861,527 1.193,528 0.837,529 1.692,530 0.893,531 1.66,532 0.976,533 1.228,534 0.966,535 1.735,536 1.013,537 1.613,538 1.01,539 1.306,540 1.014,541 1.841,542 1.097,543 0.487,544 0.954,545 0.961,546 1.064,547 0.721,548 1.104,549 2.5,550 0.05,551 1.111,552 0.625,553 0.4,554 0.278,555 0.122,556 0.094,557 0.049,558 0.08,559 4780,560 11622,561 1.822,562 58.8,563 12,564 8,567 2,569 8,572 1.62,573 1.726,574 3.766,575 0.378,582 73.484,583 1.441,584 2.334,585 3.578,586 4.113,587 4.113,588 4.113,589 3.249,590 3.44,591 4.36,592 3.914,593 822.017,594 7.411,595 10375.7,600 289.294,601 1.125,602 4.334,603 0.125,604 0.004,605 0.053,606 0.031,607 0.021,608 0.015,609 0.007,610 0.007,611 0.004,612 0.007,613 0.274,614 0.33,615 0.88,616 3.249,617 102.283,618 -0.027,619 -0.289,620 0.009,621 -0.211,622 -0.006,623 -0.103,624 0.354,625 -0.076,626 -0.051,627 -0.172,628 0.238,629 -0.196,630 -0.023,631 -0.089,632 0.092,633 -0.024,634 -0.012,635 0.05,636 -0.202,637 -0.017,638 -0.049,639 0.015,640 -0.168,641 0.016,642 -0.269,643 0.095,644 -0.101,645 0.059,646 -0.217,647 0.024,648 -0.153,649 0.007,650 -0.127,651 0.007,652 -0.142,653 -0.048,654 -0.281,655 -0.004,656 -0.243,657 -0.017,658 -0.254,659 -0.114,660 0.307,661 0.066,662 -0.019,663 -0.035,664 0.148,665 -0.087,666 2.019,667 4.21,669 24.063,670 0.998,671 1.15,672 1.546,673 2.39,674 0.578,675 3.045,676 3.091,677 3.045,678 2.996,679 2.944,680 2.89,681 2.708,682 2.639,683 2.565,684 2.565,685 7.91,686 0.535,687 302.47,688 3.045,689 4.419,690 5.106,691 5.826,692 6.529,693 7.256,694 7.966,695 8.696,696 9.409,697 10.14,698 3.9,705 2,741 51,743 2,745 20,747 50,748 15,763 2,770 7,772 2,773 13,777 2,782 2,786 2,793 30,794 6,795 2,796 6,802 2,809 4,856 2,864 2,868 21,876 11,877 2,878 2,893 7.8,896 2,898 2,901 12.167,902 9.167,903 5.333,904 3.708,907 0.163,908 1.03,909 0.854,910 14.984,911 5.609,912 3.135,913 3.258,914 3.219,915 3.178,916 3.135,917 3.091,918 2.833,919 2.773,920 2.708,921 2.89,922 1,923 20,924 7.805,926 2.884,927 0.026,929 7.873,931 15.035,933 10.787,936 2.373,937 49.833,938 0.001,941 329.591,942 62.313,943 36.022,945 72.29,948 62.313,949 401.88,950 36.022,951 17.65,952 67.159,954 50.29,955 22,956 13.525,957 329.591,959 329.591,960 98.335,961 72.29,964 235.422,965 166.458,968 84.81,969 13.525,972 329.591,973 108.311,974 62.313,977 329.591,978 44.663,979 17.65,980 36.022,981 72.29,982 329.591,983 108.311,984 62.313,986 0.51,987 0.256,988 0.118,989 0.06,990 2,991 2,992 0.28,993 14,996 3.574,997 113.617,1000 72.239,1005 20.195,1006 15.581,1007 15.403,1009 108.311,1017 36.022,1018 500.215,1019 22,1024 22.421,1028 -0.704,1031 50.883,1032 58.647,1034 0.254,1035 0.411,1036 0.631,1037 0.725,1038 0.725,1039 0.725,1040 4.234,1041 0.668,1042 4.92,1043 1.5,1044 3.761,1045 3.932,1046 2.894,1047 5.361,1048 3.654,1049 5.22,1050 0.445,1051 6.248,1052 1.111,1053 2.565,1054 3.219,1055 2.389,1056 5.38,1057 2.431,1058 6.358,1059 -0.118,1060 7.667,1061 0.786,1062 4.99,1063 5.425,1064 4.168,1065 8.44,1066 4.748,1067 7.525,1068 -0.381,1069 9.143,1070 -0.228,1071 4.615,1072 5.638,1073 4.269,1074 9.383,1075 4.301,1076 8.731,1077 -0.445,1078 10.659,1079 -0.614,1080 6.418,1081 7.201,1082 5.594,1083 11.801,1084 6.023,1085 9.961,1086 -0.827,1087 12.202,1088 -0.747,1089 6.512,1090 7.854,1091 5.979,1092 13.159,1093 6.02,1094 11.209,1095 -1.215,1096 13.766,1097 -1.774,1098 7.961,1099 9.134,1100 7.079,1101 15.291,1102 7.405,1103 2.387,1104 -1.247,1105 15.344,1106 -2.428,1107 8.34,1108 9.995,1109 7.623,1110 16.854,1111 7.679,1112 2.377,1113 6.094,1114 16.932,1115 -2.45,1116 9.576,1117 11.146,1118 8.595,1119 18.841,1120 8.856,1121 1.802,1122 6.09,1123 18.528,1124 2.83,1125 10.133,1126 12.103,1127 9.232,1128 20.512,1129 9.309,1130 1.628,1131 3.637,1132 20.13,1133 2.827,1134 11.236,1135 13.195,1136 10.129,1137 22.421,1138 10.353,1139 1.572,1140 3.157,1141 21.736,1142 1.814,1143 11.906,1144 14.196,1145 10.823,1146 24.15,1147 10.922,1148 1.247,1149 3.012,1150 23.344,1151 1.64,1152 12.925,1153 15.261,1154 11.675,1155 26.016,1156 11.88,1157 0.806,1158 2.48,1159 24.955,1160 1.609,1161 13.666,1162 16.282,1163 12.403,1164 27.778,1165 12.526,1166 5262,1167 8346,1168 12.594,1169 29.489,1170 25.953,1171 27.52,1172 26.722,1173 25.847,1174 25.864,1175 27.961,1176 10.21,1177 55.732,1178 24.581,1179 4.634,1180 5.41,1181 4.949,1182 4.395,1183 4.362,1184 4.83,1185 3.889,1186 10.79,1187 4.046,1188 12.239,1189 1.298,1190 1.376,1191 1.336,1192 1.292,1193 1.293,1194 1.398,1195 0.511,1196 2.787,1197 1.229,1198 3.795,1199 3.851,1200 3.67,1201 3.611,1202 7.437,1203 3.608,1204 3.713,1205 3.779,1206 3.589,1207 3.535,1208 7.433,1209 3.526,1210 3.674,1211 3.745,1212 3.497,1213 3.53,1214 4.504,1215 3.511,1216 3.501,1217 3.54,1218 3.365,1219 3.225,1220 4.437,1221 3.258,1222 3.394,1223 3.454,1224 3.265,1225 3.11,1226 4.206,1227 3.143,1228 3.236,1229 3.328,1230 3.025,1231 3.014,1232 4.179,1233 3.003,1234 3.043,1235 3.107,1236 2.82,1237 2.77,1238 3.929,1239 2.78,1240 2.95,1241 3.015,1242 2.74,1243 2.678,1244 3.865,1245 2.693,1246 0.183,1247 0.182,1248 0.252,1249 0.166,1250 0.119,1251 3.661,1252 0.141,1253 3.638,1254 0.109,1255 5.036,1256 0.305,1257 3.325,1258 0.111,1259 2.387,1260 2.83,1261 2.186,1262 6.094,1263 2.212,1264 1.732,1265 1.675,1266 1.983,1267 1.941,1268 1.317,1269 1.952,1270 1.702,1271 1.633,1272 1.972,1273 1.91,1274 1.254,1275 1.929,1276 1.69,1277 1.62,1278 1.964,1279 1.874,1280 1.254,1281 1.909,1282 1.4,1283 1.355,1284 1.662,1285 1.702,1286 0.906,1287 1.684,1288 1.305,1289 1.236,1290 1.608,1291 1.61,1292 0.754,1293 1.606,1294 1.235,1295 1.142,1296 1.583,1297 1.498,1298 0.753,1299 1.531,1300 0.975,1301 0.922,1302 1.267,1303 1.301,1304 0.417,1305 1.298,1306 0.879,1307 0.823,1308 1.18,1309 1.204,1310 0.255,1311 1.206,1312 3.714,1314 4.828,1316 6.08,1318 7.396,1320 8.748,1322 4.137,1328 8.584,1329 5.372,1330 10.023,1340 27.277,1341 73.484,1342 119.036,1343 182.481,1344 209.784,1345 209.784,1346 209.784,1347 99.594,1348 5.447,1349 76.66,1350 76.66,1352 10.802,1353 1.585,1354 1.585,1355 98.835,1356 100,1357 91,1358 0.465,1359 178.374,1360 319.94,1361 426.993,1362 1400,1364 15.761,1365 0.751,1366 0.639,1367 15.761,1368 13.411,1369 10.202,1370 0.51,1371 0.401,1372 7.88,1373 9.655,1374 7.7,1375 6.561,1376 10.202,1377 8.015,1378 7.547,1379 0.359,1380 0.233,1381 7.547,1382 4.893,1383 4.995,1384 0.25,1385 0.143,1386 4.995,1387 2.854,1388 3.29,1389 0.173,1390 0.081,1391 3.29,1392 1.547,1393 2.137,1394 0.119,1395 0.047,1396 2.137,1397 0.843,1398 0.791,1399 65.091,1400 0.282,1401 22.477,1402 1.121,1403 82,1404 305.608,1405 97.619,1406 272.981,1407 345.54,1408 254,1409 82,1410 225.562,1411 94.3,1412 218.55,1413 312,1414 204,1415 6.602}
{0 CHEMBL1819169,1 1.319,2 12.333,3 4.727,4 22.34,5 113.036,6 6.126,7 0.367,8 4.159,9 4.299,10 3.573,11 3.681,12 4.999,13 3.621,14 4.781,15 4.992,16 3.875,17 4.1,18 5.547,19 3.999,20 5.078,21 5.35,22 3.924,23 4.254,24 5.764,25 4.108,26 5.063,27 5.344,28 3.82,29 4.225,30 5.723,31 4.055,32 5.049,33 5.335,34 3.731,35 4.196,36 5.68,37 4.017,38 5.023,39 5.306,40 3.605,41 4.168,42 5.63,43 3.963,44 5.013,45 5.322,46 3.44,47 4.078,48 5.57,49 3.843,50 4.876,51 5.194,52 3.294,53 3.906,54 5.411,55 3.671,56 0.074,57 0.865,58 15.054,59 5.958,60 7.538,61 8.692,62 0.228,63 1.439,64 27.949,65 9.883,66 18.059,67 14.863,68 0.358,69 1.781,70 36.797,71 12.771,72 26.592,73 19.592,74 0.287,75 1.753,76 35.844,77 12.831,78 24.715,79 19.667,80 0.28,81 1.678,82 35.197,83 12.806,84 23.166,85 19.394,86 0.239,87 1.61,88 34.005,89 13.15,90 20.957,91 19.49,92 0.258,93 1.512,94 33.31,95 12.954,96 21.052,97 19.111,98 0.202,99 1.291,100 28.91,101 11.013,102 17.313,103 16.421,105 39,106 0.216,107 0.482,108 0.687,109 0.816,110 0.848,111 0.859,112 3.339,113 1.086,114 -4.16,115 -4.1,116 -3.88,121 38.3,123 8,127 6,144 4,145 2,146 1,148 2,176 11,180 5,185 3,187 11,191 1,192 5,197 3,200 7,206 3,209 1,211 5,214 8,219 2,224 3,227 12,232 2,239 14,244 2,247 1,251 12,256 2,264 8,269 3,277 6,281 1238,282 19.087,283 19.087,284 19.087,285 19.087,286 19.087,287 17.8,288 20.656,289 11.975,290 19.474,291 14.903,292 14.903,293 14.903,294 14.903,295 14.903,296 12.879,297 23.002,298 5.765,299 15.503,300 4.588,301 2.969,302 1.717,303 0.933,304 0.733,305 0.667,306 4.048,311 1,312 1,313 739,314 3.162,318 274.425,322 207.965,325 1.753,326 12.587,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 56.5,338 333,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.86,346 11.348,347 3.162,348 3.914,349 2.885,350 5.982,351 3.524,352 2.532,353 3.437,354 0.8,355 8.37,356 2.512,357 3.524,358 2.669,359 5.381,360 3.439,361 2.522,362 2.893,363 0.4,364 6.965,365 2.31,366 3.52,367 2.356,368 5.34,369 3.135,370 2.182,371 2.522,373 6.711,374 2.078,375 2.94,376 2.176,377 4.116,378 2.802,379 1.816,380 2.142,382 3.74,383 1.79,384 2.836,385 1.857,386 3.977,387 2.52,388 1.554,389 1.844,391 3.357,392 1.509,393 2.616,394 1.621,395 3.806,396 2.445,397 1.509,398 1.646,400 3.329,401 1.402,402 2.53,403 1.462,404 3.642,405 2.345,406 1.347,407 1.532,409 3.152,410 1.343,411 2.486,412 1.391,413 3.594,414 2.242,415 1.277,416 1.485,418 2.902,419 1.24,420 2.295,421 1.35,422 3.537,423 2.205,424 1.247,425 1.292,427 2.75,428 1.17,429 2,430 1.256,431 3.258,432 1.952,433 1,434 1,436 2.136,437 0.946,438 1.968,439 1.004,440 3.247,441 1.843,442 0.873,443 0.934,445 2.01,446 0.844,447 1.631,448 0.622,449 2.912,450 1.471,451 0.502,452 0.55,454 1.113,455 0.485,456 1.288,457 0.2,458 2.759,459 1.039,460 0.082,461 0.093,463 0.197,464 0.079,465 0.92,466 -0.068,467 2.404,468 0.709,469 -0.247,470 -0.274,472 -0.592,473 -0.236,474 13.033,475 0.483,476 0.342,477 0.013,478 27.75,479 1.028,480 10.5,481 0.389,482 17.25,483 0.639,484 27.883,485 1.033,486 30.767,487 0.513,488 16.294,489 0.603,490 4.751,491 0.176,492 8.665,493 0.321,496 0.223,501 0.935,502 1.441,503 0.988,504 1.245,505 0.824,506 1.138,507 1.468,508 1.225,509 1.129,510 1.1,511 1.166,512 1.088,513 1.076,514 1.011,515 0.976,516 0.922,517 0.984,518 0.935,519 0.771,520 1.044,521 1.009,522 1.018,523 0.87,524 1.023,525 0.95,526 0.942,527 1.033,528 0.965,529 1.026,530 0.994,531 0.797,532 1.036,533 1.098,534 1.113,535 0.964,536 1.128,537 0.654,538 0.923,539 0.991,540 1.028,541 0.84,542 1.039,543 0.663,544 0.952,545 0.907,546 0.983,547 0.778,548 0.972,549 2.5,550 0.082,551 2,552 1.25,553 1.191,554 0.417,555 0.279,556 0.142,557 0.082,558 0.063,559 10612,560 19279,561 2.189,562 55,563 10,564 16,567 1,568 2,569 4,572 1.694,573 2.16,574 3.507,575 -0.419,582 79.152,583 1.319,584 2.938,585 4.19,586 4.974,587 5.174,588 5.24,589 2.804,590 4.162,591 4.726,592 3.745,593 1314.63,594 8.169,595 18069.2,597 1,600 354.413,601 0.764,602 4.731,603 0.083,604 0.005,605 0.051,606 0.031,607 0.034,608 0.013,609 0.01,610 0.006,611 0.004,612 0.003,613 0.242,614 0.5,615 1,617 137.133,618 0.044,619 -0.152,620 0.08,621 -0.046,622 0.123,623 0.01,624 -0.136,625 -0.074,626 -0.07,627 -0.039,628 -0.03,629 -0.049,630 -0.002,631 0.024,632 0.031,633 0.062,634 0.055,635 0.049,636 -0.002,637 -0.01,638 -0.029,639 -0.033,640 0.03,641 -0.032,642 -0.097,643 0.062,644 -0.055,645 0.019,646 -0.111,647 -0.008,648 -0.08,649 -0.051,650 -0.14,651 -0.103,652 -0.148,653 -0.123,654 0.015,655 -0.003,656 -0.054,657 -0.049,658 -0.065,659 -0.057,660 0.026,661 -0.06,662 0.025,663 -0.019,664 -0.004,665 -0.001,666 0.589,667 1.936,668 0.741,669 27.106,670 0.981,671 1.132,672 2.931,673 8.592,674 0.632,675 3.434,676 3.689,677 3.97,678 4.248,679 4.511,680 4.522,681 4.635,682 4.718,683 4.762,684 4.615,685 7.41,686 0.578,687 367.59,688 3.434,689 4.934,690 5.771,691 6.627,692 7.487,693 8.358,694 9.231,695 10.11,696 10.991,697 11.877,698 5,701 1,703 1,708 1,714 2,715 4,716 1,720 3,722 11,734 1,741 60,743 11,744 1,745 30,747 63,748 23,749 9,750 2,751 4,756 4,757 7,767 4,770 8,772 9,773 14,793 33,794 4,795 1,796 4,802 3,808 0.5,809 1,822 1,829 4,833 2,855 1,858 1,859 2,868 27,876 14,877 1,878 1,881 1,893 1.7,897 1,901 12.5,902 10.4,903 6.111,904 4.254,907 2.403,908 1.318,909 0.987,910 6.731,911 9.969,912 3.597,913 4.103,914 4.687,915 5.289,916 5.887,917 6.199,918 6.572,919 6.911,920 7.203,921 7.01,922 0.875,923 40,924 10.074,926 4.182,927 0.026,929 7.29,931 20.584,933 17.433,936 1.79,937 48.333,938 0.001,939 1,940 1,941 376.675,942 89.205,943 37.921,945 11,948 89.205,949 387.675,950 37.921,952 37.884,953 37.905,954 45.796,955 16.54,957 376.675,959 376.675,960 127.126,961 11,964 329.591,965 47.084,966 11,968 45.909,969 46.42,970 34.796,972 376.675,973 48.92,974 89.205,977 376.675,978 51.3,979 41.029,980 18.011,981 27.785,982 376.675,983 48.92,984 89.205,986 0.555,987 0.324,988 0.188,989 0.108,990 18,991 6,992 0.127,993 8,994 2,995 1.2,996 4.149,997 220.825,998 0.2,999 20,1000 124.382,1005 18.863,1006 9.635,1007 4.872,1008 2.441,1009 48.92,1010 8.613,1011 4.936,1015 4.17,1017 18.011,1018 514.801,1019 35.5,1031 58.887,1032 67.932,1034 0.223,1035 0.497,1036 0.709,1037 0.842,1038 0.876,1039 0.887,1040 4.81,1041 1.347,1042 5.694,1043 3.329,1044 4.369,1045 4.787,1046 1.324,1047 6.457,1048 4.298,1049 5.935,1050 1.277,1051 7.204,1052 3.152,1053 3.611,1054 4.477,1055 0.325,1056 7.286,1057 3.514,1058 7.205,1059 1.247,1060 8.83,1061 2.902,1062 5.883,1063 6.945,1064 0.958,1065 10.463,1066 5.754,1067 8.521,1068 1,1069 10.532,1070 2.75,1071 6.089,1072 7.643,1073 0.268,1074 12.254,1075 5.945,1076 9.887,1077 0.873,1078 12.288,1079 2.136,1080 7.716,1081 9.534,1082 0.736,1083 14.922,1084 7.543,1085 11.289,1086 0.502,1087 14.081,1088 2.01,1089 8.417,1090 10.686,1091 0.188,1092 17.087,1093 8.236,1094 12.718,1095 0.082,1096 15.901,1097 1.113,1098 9.76,1099 12.352,1100 0.57,1101 19.595,1102 9.554,1103 3.226,1104 -0.247,1105 17.74,1106 0.197,1107 10.708,1108 13.708,1109 0.125,1110 21.913,1111 10.494,1112 2.532,1113 11.348,1114 19.593,1115 -0.592,1116 11.934,1117 15.283,1118 0.439,1119 24.368,1120 11.7,1121 2.522,1122 8.37,1123 21.458,1124 4.564,1125 13.001,1126 16.729,1127 0.082,1128 26.749,1129 12.754,1130 2.182,1131 6.965,1132 23.332,1133 3.437,1134 14.183,1135 18.269,1136 0.334,1137 29.186,1138 13.918,1139 1.816,1140 6.711,1141 25.214,1142 2.893,1143 15.304,1144 19.754,1145 0.054,1146 31.594,1147 15.024,1148 1.554,1149 3.74,1150 27.101,1151 2.522,1152 16.473,1153 21.28,1154 0.252,1155 34.025,1156 16.175,1157 1.509,1158 3.357,1159 28.994,1160 2.142,1161 17.619,1162 22.783,1163 0.035,1164 36.444,1165 17.305,1166 9858,1167 13384,1168 21.148,1169 37.893,1170 43.243,1171 43.677,1172 43.961,1173 43.363,1174 43.341,1175 51.869,1176 4.12,1177 116.158,1178 41.739,1179 5.64,1180 5.361,1181 6.691,1182 5.31,1183 5.226,1184 7.564,1185 1.72,1186 18.879,1187 5.162,1189 1.441,1190 1.456,1191 1.465,1192 1.445,1193 1.445,1194 1.729,1195 0.137,1196 3.872,1197 1.391,1198 4.113,1199 4.145,1200 4.073,1201 4.041,1202 4.972,1203 4.045,1204 3.841,1205 3.906,1206 3.71,1207 3.668,1208 4.628,1209 3.663,1210 3.732,1211 3.781,1212 3.617,1213 3.646,1214 4.413,1215 3.634,1216 3.686,1217 3.753,1218 3.527,1219 3.51,1220 4.26,1221 3.509,1222 3.443,1223 3.519,1224 3.28,1225 3.263,1226 4.098,1227 3.256,1228 3.245,1229 3.309,1230 3.099,1231 3.117,1232 3.977,1233 3.103,1234 3.138,1235 3.217,1236 3.002,1237 2.967,1238 3.85,1239 2.964,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.636,1245 2.91,1246 0.155,1247 0.112,1248 0.228,1249 0.14,1250 0.108,1251 4.64,1252 0.152,1253 3.361,1254 0.029,1255 6.829,1256 0.378,1257 4.207,1258 0.105,1259 3.226,1260 4.564,1261 0.86,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.437,1269 2.163,1270 1.797,1271 1.733,1272 2.031,1273 2.005,1274 1.381,1275 2.013,1276 1.754,1277 1.709,1278 1.949,1279 1.881,1280 1.223,1281 1.906,1282 1.673,1283 1.609,1284 1.915,1285 1.871,1286 1.146,1287 1.897,1288 1.435,1289 1.363,1290 1.719,1291 1.659,1292 1.009,1293 1.683,1294 1.25,1295 1.193,1296 1.513,1297 1.428,1298 0.825,1299 1.451,1300 1.153,1301 1.064,1302 1.486,1303 1.376,1304 0.758,1305 1.429,1306 1.134,1307 1.058,1308 1.436,1309 1.349,1310 0.667,1311 1.381,1312 4.111,1314 5.38,1316 6.868,1318 8.468,1320 10.134,1328 16.428,1329 3.789,1330 5.417,1333 2.539,1340 34.681,1341 79.152,1342 176.298,1343 251.394,1344 298.413,1345 310.413,1346 314.413,1347 35.604,1348 7.566,1349 37.39,1350 37.39,1351 24,1352 12.411,1353 3.585,1354 2.7,1355 40.58,1356 118,1357 127,1358 0.16,1359 211.563,1360 363.81,1361 507.973,1362 23294,1364 18.313,1365 0.678,1366 0.612,1367 18.313,1368 16.512,1369 13.416,1370 0.447,1371 0.362,1372 10.755,1373 13.035,1374 10.567,1375 8.71,1376 13.416,1377 10.861,1378 11.165,1379 0.286,1380 0.203,1381 11.165,1382 7.931,1383 9.516,1384 0.183,1385 0.115,1386 9.516,1387 5.976,1388 8.139,1389 0.118,1390 0.064,1391 8.139,1392 4.427,1393 6.922,1394 0.077,1395 0.037,1396 6.922,1397 3.298,1398 0.261,1399 82.97,1400 0.217,1401 26.637,1402 0.414,1403 138,1404 295.359,1405 146.735,1406 285.531,1407 403.91,1408 274,1409 160,1410 299.256,1411 169.596,1412 303.065,1413 448.69,1414 289,1415 7.162}
{0 CHEMBL1819170,1 1.306,2 13.143,3 5.183,4 26.86,5 117.637,6 6.057,7 0.355,8 4.203,9 4.345,10 3.605,11 3.725,12 5.033,13 3.661,14 4.828,15 5.041,16 3.903,17 4.143,18 5.583,19 4.037,20 5.129,21 5.404,22 3.951,23 4.297,24 5.802,25 4.145,26 5.114,27 5.398,28 3.849,29 4.269,30 5.762,31 4.095,32 5.101,33 5.389,34 3.763,35 4.242,36 5.721,37 4.058,38 5.076,39 5.362,40 3.642,41 4.215,42 5.673,43 4.006,44 5.067,45 5.377,46 3.482,47 4.127,48 5.614,49 3.891,50 4.94,51 5.261,52 3.34,53 3.968,54 5.47,55 3.731,56 0.079,57 0.904,58 15.883,59 6.297,60 7.934,61 9.202,62 0.235,63 1.501,64 29.329,65 10.448,66 18.607,67 15.726,68 0.367,69 1.859,70 38.553,71 13.486,72 27.294,73 20.682,74 0.296,75 1.831,76 37.579,77 13.545,78 25.401,79 20.743,80 0.287,81 1.755,82 36.896,83 13.521,84 23.715,85 20.465,86 0.246,87 1.688,88 35.696,89 13.866,90 21.514,91 20.55,92 0.239,93 1.588,94 34.888,95 13.52,96 21.012,97 20.073,98 0.25,99 1.372,100 30.669,101 11.705,102 18.931,103 17.373,105 40,106 0.212,107 0.468,108 0.671,109 0.807,110 0.852,111 0.862,112 3.374,113 1.099,114 -4.37,115 -4.31,116 -4.06,121 38.1,123 9,127 6,144 4,145 2,146 1,148 2,176 12,180 5,185 3,187 12,191 1,192 5,197 3,200 8,206 3,209 1,211 5,214 9,219 2,224 3,227 12,232 3,237 1,239 14,244 2,251 12,256 2,259 1,264 10,269 2,277 8,281 1356,282 19.794,283 19.794,284 19.794,285 19.794,286 19.794,287 18.507,288 20.656,289 12.475,290 20.181,291 15.403,292 15.403,293 15.403,294 15.403,295 15.403,296 13.379,297 23.002,298 6.015,299 16.003,300 4.672,301 3.093,302 1.842,303 1.008,304 0.73,305 0.667,306 4.083,311 1,312 1,313 815,314 3.317,318 293.516,322 222.316,325 1.908,326 12.646,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 58.5,338 368,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.86,346 11.348,347 3.162,348 3.914,349 2.885,350 5.982,351 3.524,352 2.532,353 3.437,354 0.8,355 8.37,356 2.512,357 3.523,358 2.669,359 5.381,360 3.439,361 2.522,362 2.893,363 0.4,364 6.965,365 2.31,366 3.521,367 2.356,368 5.34,369 3.136,370 2.182,371 2.522,373 6.711,374 2.079,375 2.941,376 2.176,377 4.116,378 2.843,379 1.853,380 2.142,382 3.786,383 1.834,384 2.867,385 1.881,386 3.981,387 2.54,388 1.59,389 1.874,391 3.402,392 1.52,393 2.636,394 1.661,395 3.834,396 2.495,397 1.519,398 1.664,400 3.329,401 1.475,402 2.558,403 1.492,404 3.664,405 2.345,406 1.369,407 1.564,409 3.197,410 1.343,411 2.488,412 1.427,413 3.594,414 2.284,415 1.347,416 1.487,418 2.902,419 1.24,420 2.378,421 1.35,422 3.564,423 2.242,424 1.247,425 1.377,427 2.891,428 1.235,429 2.059,430 1.256,431 3.355,432 1.961,433 1,434 1.042,436 2.256,437 0.956,438 2,439 1.135,440 3.247,441 1.952,442 1,443 1,445 2.136,446 0.946,447 1.778,448 0.765,449 3,450 1.638,451 0.659,452 0.718,454 1.472,455 0.643,456 1.417,457 0.379,458 2.837,459 1.224,460 0.263,461 0.288,463 0.59,464 0.252,465 1.11,466 0.061,467 2.53,468 0.886,469 -0.074,470 -0.084,472 -0.18,473 -0.071,474 13.533,475 0.483,476 0.342,477 0.012,478 28.25,479 1.009,480 10.5,481 0.375,482 17.75,483 0.634,484 29.715,485 1.061,486 32.067,487 0.509,488 16.445,489 0.587,490 4.751,491 0.17,492 9.165,493 0.327,496 0.214,501 0.938,502 1.444,503 1.005,504 1.255,505 0.828,506 1.152,507 1.462,508 1.236,509 1.141,510 1.117,511 1.162,512 1.105,513 1.067,514 1.01,515 0.974,516 0.925,517 0.975,518 0.937,519 0.767,520 1.041,521 1.005,522 1.016,523 0.863,524 1.02,525 0.943,526 0.944,527 1.028,528 0.966,529 1.015,530 0.992,531 0.792,532 1.033,533 1.09,534 1.106,535 0.954,536 1.119,537 0.685,538 0.97,539 0.988,540 1.035,541 0.844,542 1.038,543 0.698,544 0.843,545 0.921,546 0.929,547 0.807,548 0.943,549 2.5,550 0.049,551 2,552 1.25,553 1.191,554 0.417,555 0.279,556 0.142,557 0.106,558 0.062,559 12069,560 21594,561 2.182,562 55.6,563 12,564 16,567 1,568 2,569 4,572 1.702,573 2.154,574 3.588,575 -0.429,582 82.25,583 1.306,584 2.884,585 4.135,586 4.969,587 5.247,588 5.311,589 2.926,590 3.995,591 4.778,592 3.841,593 1451.78,594 8.266,595 20879.6,600 376.569,601 0.75,602 4.784,603 0.081,604 0.003,605 0.05,606 0.03,607 0.033,608 0.013,609 0.01,610 0.006,611 0.005,612 0.003,613 0.234,614 0.33,615 1,617 144.915,618 0.047,619 -0.146,620 0.079,621 -0.044,622 0.128,623 0.01,624 -0.129,625 -0.081,626 -0.074,627 -0.049,628 -0.023,629 -0.057,630 0.005,631 0.023,632 0.034,633 0.061,634 0.063,635 0.05,636 0.002,637 -0.009,638 -0.023,639 -0.029,640 0.037,641 -0.028,642 -0.091,643 0.06,644 -0.049,645 0.019,646 -0.102,647 -0.005,648 -0.076,649 -0.048,650 -0.13,651 -0.095,652 -0.138,653 -0.114,654 -0.019,655 -0.049,656 -0.051,657 -0.056,658 -0.072,659 -0.056,660 0.033,661 0.058,662 0.016,663 0.026,664 -0.018,665 0.02,666 0.584,667 1.941,668 0.714,669 29.745,670 0.98,671 1.133,672 3.142,673 9.875,674 0.629,675 3.466,676 3.714,677 3.989,678 4.263,679 4.522,680 4.533,681 4.644,682 4.727,683 4.771,684 4.615,685 7.894,686 0.575,687 381.62,688 3.466,689 4.963,690 5.796,691 6.648,692 7.505,693 8.373,694 9.243,695 10.121,696 11,697 11.884,698 4.8,701 1,703 1,708 1,714 2,715 4,716 1,720 3,722 11,734 1,741 63,743 11,744 1,745 31,747 66,748 24,749 9,750 2,751 4,756 4,757 7,767 4,770 9,772 9,773 15,793 35,794 4,795 1,796 4,802 3,808 0.5,809 1,822 1,829 4,833 2,855 1,858 1,859 2,868 28,876 15,877 1,878 1,881 1,893 1.6,897 1,901 13,902 10.9,903 6.361,904 4.504,907 2.398,908 1.315,909 0.982,910 7.319,911 10.01,912 3.624,913 4.119,914 4.696,915 5.294,916 5.89,917 6.201,918 6.574,919 6.912,920 7.204,921 7.009,922 1,923 41,924 10.452,926 4.325,927 0.026,929 7.28,931 21.4,933 18.099,936 1.78,937 49.833,940 1,941 400.217,942 91.74,943 37.921,945 11,948 91.74,949 411.217,950 37.921,952 40.418,953 37.905,954 45.796,955 16.54,957 400.217,959 400.217,960 129.66,961 11,964 353.133,965 47.084,966 11,968 48.444,969 46.42,970 34.796,972 400.217,973 48.92,974 91.74,977 400.217,978 53.835,979 41.029,980 18.011,981 27.785,982 400.217,983 48.92,984 91.74,986 0.553,987 0.321,988 0.186,989 0.106,990 18,991 6,992 0.136,993 9,994 2,995 1.2,996 4.271,997 229.022,998 0.2,999 20,1000 128.606,1005 19.819,1006 10.34,1007 5.327,1008 2.447,1009 48.92,1010 8.624,1011 4.941,1015 4.179,1017 18.011,1018 540.877,1019 36.5,1031 61.77,1032 71.348,1034 0.218,1035 0.483,1036 0.692,1037 0.831,1038 0.878,1039 0.888,1040 4.834,1041 1.369,1042 5.714,1043 3.329,1044 4.394,1045 4.804,1046 1.324,1047 6.469,1048 4.325,1049 5.954,1050 1.347,1051 7.219,1052 3.197,1053 3.611,1054 4.477,1055 0.325,1056 7.286,1057 3.514,1058 7.219,1059 1.247,1060 8.84,1061 2.902,1062 5.9,1063 6.951,1064 0.958,1065 10.466,1066 5.772,1067 8.531,1068 1,1069 10.539,1070 2.891,1071 6.089,1072 7.643,1073 0.268,1074 12.254,1075 5.945,1076 9.894,1077 1,1078 12.292,1079 2.256,1080 7.725,1081 9.535,1082 0.736,1083 14.922,1084 7.554,1085 11.294,1086 0.659,1087 14.084,1088 2.136,1089 8.417,1090 10.686,1091 0.188,1092 17.087,1093 8.236,1094 12.721,1095 0.263,1096 15.902,1097 1.472,1098 9.764,1099 12.352,1100 0.57,1101 19.595,1102 9.559,1103 3.226,1104 -0.074,1105 17.741,1106 0.59,1107 10.708,1108 13.708,1109 0.125,1110 21.913,1111 10.494,1112 2.532,1113 11.348,1114 19.594,1115 -0.18,1116 11.936,1117 15.283,1118 0.439,1119 24.368,1120 11.702,1121 2.522,1122 8.37,1123 21.459,1124 4.564,1125 13.001,1126 16.729,1127 0.082,1128 26.749,1129 12.754,1130 2.182,1131 6.965,1132 23.333,1133 3.437,1134 14.183,1135 18.269,1136 0.334,1137 29.186,1138 13.919,1139 1.853,1140 6.711,1141 25.214,1142 2.893,1143 15.304,1144 19.754,1145 0.054,1146 31.594,1147 15.024,1148 1.59,1149 3.786,1150 27.101,1151 2.522,1152 16.473,1153 21.28,1154 0.252,1155 34.025,1156 16.175,1157 1.519,1158 3.402,1159 28.994,1160 2.142,1161 17.619,1162 22.783,1163 0.035,1164 36.444,1165 17.305,1166 11216,1167 15107,1168 21.841,1169 39.654,1170 44.474,1171 44.996,1172 45.19,1173 44.647,1174 44.618,1175 53.145,1176 4.12,1177 118.708,1178 43.015,1179 5.64,1180 5.361,1181 6.718,1182 5.31,1183 5.226,1184 7.564,1185 1.72,1186 18.879,1187 5.162,1189 1.435,1190 1.451,1191 1.458,1192 1.44,1193 1.439,1194 1.714,1195 0.133,1196 3.829,1197 1.388,1198 4.114,1199 4.145,1200 4.073,1201 4.041,1202 4.972,1203 4.045,1204 3.845,1205 3.91,1206 3.713,1207 3.679,1208 4.628,1209 3.672,1210 3.733,1211 3.781,1212 3.618,1213 3.648,1214 4.413,1215 3.635,1216 3.71,1217 3.777,1218 3.552,1219 3.535,1220 4.263,1221 3.535,1222 3.5,1223 3.575,1224 3.333,1225 3.326,1226 4.124,1227 3.316,1228 3.285,1229 3.354,1230 3.137,1231 3.151,1232 3.981,1233 3.14,1234 3.159,1235 3.235,1236 3.024,1237 2.979,1238 3.9,1239 2.977,1240 3.111,1241 3.206,1242 2.887,1243 2.941,1244 3.689,1245 2.91,1246 0.15,1247 0.108,1248 0.22,1249 0.136,1250 0.104,1251 4.64,1252 0.147,1253 3.361,1254 0.028,1255 6.829,1256 0.366,1257 4.207,1258 0.102,1259 3.226,1260 4.564,1261 0.86,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.437,1269 2.163,1270 1.806,1271 1.743,1272 2.043,1273 2.007,1274 1.397,1275 2.017,1276 1.754,1277 1.709,1278 1.95,1279 1.902,1280 1.247,1281 1.924,1282 1.696,1283 1.632,1284 1.934,1285 1.872,1286 1.15,1287 1.901,1288 1.499,1289 1.428,1290 1.779,1291 1.713,1292 1.077,1293 1.739,1294 1.284,1295 1.225,1296 1.539,1297 1.485,1298 0.825,1299 1.508,1300 1.153,1301 1.07,1302 1.513,1303 1.376,1304 0.793,1305 1.429,1306 1.145,1307 1.064,1308 1.45,1309 1.356,1310 0.747,1311 1.381,1312 4.143,1314 5.407,1316 6.889,1318 8.483,1320 10.144,1328 17.884,1329 3.796,1330 5.417,1333 2.544,1340 36.208,1341 82.25,1342 181.71,1343 260.511,1344 313.059,1345 330.569,1346 334.569,1347 38.153,1348 7.612,1349 37.39,1350 37.39,1351 24,1352 12.419,1353 3.585,1354 2.7,1355 42.907,1356 132,1357 138,1358 0.152,1359 221.155,1360 381.11,1361 531.379,1362 25275,1364 19.02,1365 0.679,1366 0.615,1367 19.02,1368 17.219,1369 13.916,1370 0.449,1371 0.366,1372 11.255,1373 13.535,1374 11.057,1375 9.127,1376 13.916,1377 11.361,1378 11.519,1379 0.288,1380 0.207,1381 11.519,1382 8.285,1383 9.766,1384 0.184,1385 0.117,1386 9.766,1387 6.226,1388 8.316,1389 0.119,1390 0.066,1391 8.316,1392 4.603,1393 7.047,1394 0.077,1395 0.038,1396 7.047,1397 3.423,1398 0.25,1399 85.97,1400 0.214,1401 27.642,1402 0.387,1403 142,1404 299.359,1405 150.735,1406 289.692,1407 409.67,1408 278,1409 164,1410 303.256,1411 173.596,1412 307.227,1413 454.45,1414 293,1415 7.352}
{0 CHEMBL1819171,1 1.293,2 13.966,3 5.639,4 31.797,5 122.238,6 5.995,7 0.344,8 4.245,9 4.388,10 3.636,11 3.766,12 5.067,13 3.699,14 4.872,15 5.087,16 3.93,17 4.185,18 5.617,19 4.074,20 5.177,21 5.455,22 3.977,23 4.338,24 5.838,25 4.182,26 5.163,27 5.45,28 3.878,29 4.311,30 5.8,31 4.133,32 5.15,33 5.441,34 3.794,35 4.285,36 5.761,37 4.097,38 5.127,39 5.415,40 3.677,41 4.26,42 5.714,43 4.048,44 5.118,45 5.43,46 3.523,47 4.175,48 5.657,49 3.937,50 4.998,51 5.319,52 3.386,53 4.022,54 5.518,55 3.784,56 0.084,57 0.942,58 16.705,59 6.637,60 8.317,61 9.711,62 0.241,63 1.564,64 30.695,65 11.012,66 19.141,67 16.583,68 0.375,69 1.937,70 40.285,71 14.198,72 27.97,73 21.761,74 0.304,75 1.909,76 39.29,77 14.257,78 26.063,79 21.808,80 0.294,81 1.833,82 38.575,83 14.233,84 24.251,85 21.525,86 0.254,87 1.766,88 37.366,89 14.579,90 22.055,91 21.601,92 0.246,93 1.666,94 36.481,95 14.216,96 21.467,97 21.087,98 0.231,99 1.448,100 32.23,101 12.267,102 18.884,103 18.329,105 41,106 0.208,107 0.455,108 0.655,109 0.792,110 0.84,111 0.855,112 3.407,113 1.112,114 -4.58,115 -4.5,116 -4.24,121 37.9,123 10,127 6,144 4,145 2,146 1,148 2,176 13,180 5,185 3,187 13,191 1,192 5,197 3,200 9,206 3,209 1,211 5,214 10,219 2,224 3,227 13,232 3,237 1,239 14,244 3,249 1,251 12,256 2,264 10,269 2,272 1,277 10,281 1502,282 20.501,283 20.501,284 20.501,285 20.501,286 20.501,287 19.214,288 20.656,289 12.975,290 20.888,291 15.903,292 15.903,293 15.903,294 15.903,295 15.903,296 13.879,297 23.002,298 6.265,299 16.503,300 4.752,301 3.212,302 1.97,303 1.121,304 0.818,305 0.727,306 4.116,312 1,313 895,314 3.464,318 312.745,322 236.868,325 2.045,326 12.697,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 60.5,338 405,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.86,346 11.348,347 3.162,348 3.914,349 2.885,350 5.982,351 3.524,352 2.532,353 3.437,354 0.8,355 8.37,356 2.512,357 3.522,358 2.669,359 5.381,360 3.439,361 2.522,362 2.893,363 0.4,364 6.965,365 2.31,366 3.521,367 2.356,368 5.34,369 3.136,370 2.182,371 2.522,373 6.711,374 2.079,375 2.941,376 2.176,377 4.116,378 2.873,379 1.88,380 2.142,382 3.822,383 1.866,384 2.891,385 1.901,386 3.984,387 2.594,388 1.633,389 1.897,391 3.452,392 1.572,393 2.666,394 1.7,395 3.858,396 2.509,397 1.525,398 1.688,400 3.329,401 1.501,402 2.579,403 1.527,404 3.686,405 2.345,406 1.432,407 1.592,409 3.237,410 1.343,411 2.49,412 1.439,413 3.594,414 2.341,415 1.347,416 1.489,418 2.991,419 1.289,420 2.436,421 1.35,422 3.585,423 2.242,424 1.247,425 1.435,427 2.902,428 1.24,429 2.153,430 1.256,431 3.429,432 2.074,433 1.12,434 1.146,436 2.459,437 1.061,438 2,439 1.247,440 3.247,441 1.952,442 1,443 1,445 2.136,446 0.946,447 1.888,448 0.888,449 3.109,450 1.762,451 0.783,452 0.843,454 1.766,455 0.764,456 1.557,457 0.549,458 2.875,459 1.411,460 0.441,461 0.477,463 0.963,464 0.426,465 1.263,466 0.181,467 2.681,468 1.035,469 0.074,470 0.083,472 0.174,473 0.071,474 14.033,475 0.484,476 0.342,477 0.012,478 28.75,479 0.991,480 10.5,481 0.362,482 18.25,483 0.629,484 31.568,485 1.089,486 33.367,487 0.506,488 16.588,489 0.572,490 4.751,491 0.164,492 9.665,493 0.333,496 0.207,501 0.941,502 1.447,503 1.02,504 1.265,505 0.831,506 1.165,507 1.458,508 1.246,509 1.151,510 1.133,511 1.159,512 1.121,513 1.059,514 1.009,515 0.972,516 0.927,517 0.967,518 0.938,519 0.764,520 1.039,521 1.001,522 1.014,523 0.857,524 1.017,525 0.936,526 0.946,527 1.023,528 0.966,529 1.006,530 0.991,531 0.787,532 1.031,533 1.082,534 1.099,535 0.945,536 1.112,537 0.682,538 0.971,539 0.985,540 1.032,541 0.838,542 1.034,543 0.73,544 0.898,545 0.921,546 0.942,547 0.81,548 0.947,549 2.5,550 0.049,551 2,552 1.25,553 1.191,554 0.417,555 0.279,556 0.142,557 0.106,558 0.082,559 13650,560 24073,561 2.175,562 56.1,563 14,564 16,567 1,568 2,569 4,572 1.71,573 2.148,574 3.665,575 -0.439,582 85.329,583 1.293,584 2.832,585 4.075,586 4.923,587 5.226,588 5.317,589 2.973,590 4.142,591 4.829,592 3.93,593 1595.71,594 8.36,595 23977.8,600 398.93,601 0.736,602 4.835,603 0.078,604 0.003,605 0.049,606 0.03,607 0.032,608 0.012,609 0.01,610 0.006,611 0.005,612 0.004,613 0.228,614 0.33,615 1,617 152.761,618 0.051,619 -0.141,620 0.077,621 -0.042,622 0.133,623 0.01,624 -0.123,625 -0.088,626 -0.078,627 -0.058,628 -0.018,629 -0.065,630 0.011,631 0.022,632 0.037,633 0.059,634 0.07,635 0.05,636 0.007,637 -0.009,638 -0.019,639 -0.026,640 0.043,641 -0.024,642 -0.085,643 0.057,644 -0.044,645 0.02,646 -0.093,647 -0.003,648 -0.072,649 -0.046,650 -0.122,651 -0.089,652 -0.13,653 -0.106,654 -0.018,655 -0.046,656 -0.049,657 -0.053,658 -0.068,659 -0.053,660 -0.005,661 0.006,662 0.014,663 0.013,664 -0.028,665 0.015,666 0.58,667 1.946,668 0.69,669 32.392,670 0.98,671 1.133,672 3.35,673 11.223,674 0.628,675 3.497,676 3.738,677 4.007,678 4.277,679 4.533,680 4.543,681 4.654,682 4.736,683 4.779,684 4.625,685 8.377,686 0.572,687 395.65,688 3.497,689 4.99,690 5.82,691 6.668,692 7.522,693 8.387,694 9.255,695 10.131,696 11.008,697 11.891,698 4.5,701 1,703 1,708 1,714 2,715 4,716 1,720 3,722 11,734 1,741 66,743 11,744 1,745 32,747 69,748 25,749 9,750 2,751 4,756 4,757 7,767 4,770 10,772 9,773 16,793 37,794 4,795 1,796 4,802 3,808 0.5,809 1,822 1,829 4,833 2,855 1,858 1,859 2,868 29,876 16,877 1,878 1,881 1,893 1.5,897 1,901 13.5,902 11.4,903 6.611,904 4.754,907 2.393,908 1.313,909 0.979,910 7.923,911 10.049,912 3.651,913 4.135,914 4.705,915 5.299,916 5.893,917 6.203,918 6.575,919 6.913,920 7.205,921 7.01,922 0.889,923 42,924 10.83,926 4.468,927 0.026,929 7.27,931 22.217,933 18.766,936 1.77,937 51.333,941 423.76,942 94.274,943 37.921,945 11,948 94.274,949 434.76,950 37.921,952 42.953,953 37.905,954 45.796,955 16.54,957 423.76,959 423.76,960 132.195,961 11,964 376.675,965 47.084,966 11,968 50.978,969 46.42,970 34.796,972 423.76,973 48.92,974 94.274,977 423.76,978 56.369,979 41.029,980 18.011,981 27.785,982 423.76,983 48.92,984 94.274,986 0.551,987 0.319,988 0.184,989 0.104,990 18,991 6,992 0.145,993 10,994 2,995 1.2,996 4.392,997 237.268,998 0.2,999 20,1000 136.881,1005 20.779,1006 11.058,1007 5.78,1008 2.451,1009 48.92,1010 8.634,1011 4.946,1015 4.187,1017 18.011,1018 566.954,1019 37.5,1031 64.654,1032 74.763,1034 0.214,1035 0.469,1036 0.674,1037 0.815,1038 0.865,1039 0.88,1040 4.858,1041 1.432,1042 5.733,1043 3.329,1044 4.419,1045 4.82,1046 1.324,1047 6.482,1048 4.351,1049 5.972,1050 1.347,1051 7.233,1052 3.237,1053 3.611,1054 4.477,1055 0.325,1056 7.286,1057 3.514,1058 7.233,1059 1.247,1060 8.85,1061 2.991,1062 5.916,1063 6.957,1064 0.958,1065 10.469,1066 5.791,1067 8.541,1068 1.12,1069 10.545,1070 2.902,1071 6.089,1072 7.643,1073 0.268,1074 12.254,1075 5.945,1076 9.901,1077 1,1078 12.296,1079 2.459,1080 7.734,1081 9.537,1082 0.736,1083 14.922,1084 7.564,1085 11.298,1086 0.783,1087 14.086,1088 2.136,1089 8.417,1090 10.686,1091 0.188,1092 17.087,1093 8.236,1094 12.725,1095 0.441,1096 15.904,1097 1.766,1098 9.768,1099 12.352,1100 0.57,1101 19.595,1102 9.564,1103 3.226,1104 0.074,1105 17.742,1106 0.963,1107 10.708,1108 13.708,1109 0.125,1110 21.913,1111 10.494,1112 2.532,1113 11.348,1114 19.595,1115 0.174,1116 11.937,1117 15.283,1118 0.439,1119 24.368,1120 11.704,1121 2.522,1122 8.37,1123 21.459,1124 4.564,1125 13.001,1126 16.729,1127 0.082,1128 26.749,1129 12.754,1130 2.182,1131 6.965,1132 23.333,1133 3.437,1134 14.184,1135 18.269,1136 0.334,1137 29.186,1138 13.92,1139 1.88,1140 6.711,1141 25.214,1142 2.893,1143 15.304,1144 19.754,1145 0.054,1146 31.594,1147 15.024,1148 1.633,1149 3.822,1150 27.101,1151 2.522,1152 16.473,1153 21.28,1154 0.252,1155 34.025,1156 16.176,1157 1.525,1158 3.452,1159 28.994,1160 2.142,1161 17.619,1162 22.783,1163 0.035,1164 36.444,1165 17.305,1166 12692,1167 16968,1168 22.534,1169 41.415,1170 45.767,1171 46.204,1172 46.519,1173 45.916,1174 45.888,1175 54.415,1176 4.12,1177 121.25,1178 44.285,1179 5.64,1180 5.361,1181 6.738,1182 5.31,1183 5.226,1184 7.564,1185 1.72,1186 18.879,1187 5.162,1189 1.43,1190 1.444,1191 1.454,1192 1.435,1193 1.434,1194 1.7,1195 0.129,1196 3.789,1197 1.384,1198 4.114,1199 4.145,1200 4.073,1201 4.041,1202 4.973,1203 4.045,1204 3.849,1205 3.914,1206 3.715,1207 3.689,1208 4.628,1209 3.68,1210 3.734,1211 3.796,1212 3.618,1213 3.649,1214 4.413,1215 3.635,1216 3.728,1217 3.78,1218 3.572,1219 3.555,1220 4.265,1221 3.555,1222 3.548,1223 3.621,1224 3.378,1225 3.38,1226 4.144,1227 3.369,1228 3.332,1229 3.407,1230 3.177,1231 3.179,1232 3.988,1233 3.17,1234 3.194,1235 3.263,1236 3.048,1237 3.03,1238 3.939,1239 3.02,1240 3.12,1241 3.206,1242 2.953,1243 2.957,1244 3.74,1245 2.946,1246 0.145,1247 0.105,1248 0.213,1249 0.131,1250 0.101,1251 4.64,1252 0.143,1253 3.361,1254 0.027,1255 6.829,1256 0.355,1257 4.207,1258 0.099,1259 3.226,1260 4.564,1261 0.86,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.438,1269 2.163,1270 1.813,1271 1.751,1272 2.052,1273 2.009,1274 1.409,1275 2.02,1276 1.754,1277 1.709,1278 1.954,1279 1.919,1280 1.271,1281 1.94,1282 1.714,1283 1.65,1284 1.946,1285 1.872,1286 1.159,1287 1.902,1288 1.55,1289 1.481,1290 1.823,1291 1.756,1292 1.12,1293 1.783,1294 1.327,1295 1.26,1296 1.609,1297 1.545,1298 0.887,1299 1.571,1300 1.198,1301 1.129,1302 1.513,1303 1.381,1304 0.825,1305 1.429,1306 1.153,1307 1.064,1308 1.465,1309 1.376,1310 0.755,1311 1.408,1312 4.174,1314 5.434,1316 6.909,1318 8.497,1320 10.154,1328 19.347,1329 3.802,1330 5.417,1333 2.549,1340 37.735,1341 85.329,1342 186.93,1343 268.93,1344 324.93,1345 344.93,1346 350.93,1347 40.783,1348 7.656,1349 37.39,1350 37.39,1351 24,1352 12.427,1353 3.585,1354 2.7,1355 45.283,1356 146,1357 150,1358 0.145,1359 230.748,1360 398.41,1361 554.784,1362 27346,1364 19.728,1365 0.68,1366 0.618,1367 19.728,1368 17.926,1369 14.416,1370 0.45,1371 0.371,1372 11.755,1373 14.035,1374 11.547,1375 9.543,1376 14.416,1377 11.861,1378 11.873,1379 0.29,1380 0.211,1381 11.873,1382 8.638,1383 10.016,1384 0.185,1385 0.12,1386 10.016,1387 6.476,1388 8.493,1389 0.12,1390 0.067,1391 8.493,1392 4.78,1393 7.172,1394 0.078,1395 0.039,1396 7.172,1397 3.548,1398 0.24,1399 88.97,1400 0.211,1401 28.631,1402 0.363,1403 146,1404 303.359,1405 154.735,1406 293.854,1407 415.43,1408 282,1409 168,1410 307.256,1411 177.596,1412 311.388,1413 460.21,1414 297,1415 7.783}
{0 CHEMBL1819172,1 1.281,2 14.767,3 6.095,4 37.15,5 126.839,6 5.937,7 0.333,8 4.286,9 4.43,10 3.667,11 3.806,12 5.1,13 3.736,14 4.914,15 5.131,16 3.956,17 4.225,18 5.65,19 4.11,20 5.223,21 5.504,22 4.002,23 4.378,24 5.873,25 4.217,26 5.209,27 5.499,28 3.906,29 4.352,30 5.836,31 4.17,32 5.197,33 5.491,34 3.825,35 4.327,36 5.799,37 4.135,38 5.175,39 5.466,40 3.711,41 4.303,42 5.754,43 4.088,44 5.167,45 5.479,46 3.563,47 4.222,48 5.699,49 3.982,50 5.052,51 5.375,52 3.431,53 4.076,54 5.566,55 3.836,56 0.089,57 0.981,58 17.521,59 6.977,60 8.687,61 10.217,62 0.247,63 1.627,64 32.049,65 11.576,66 19.664,67 17.434,68 0.382,69 2.014,70 41.995,71 14.908,72 28.624,73 22.829,74 0.312,75 1.986,76 40.981,77 14.965,78 26.702,79 22.865,80 0.301,81 1.911,82 40.236,83 14.942,84 24.776,85 22.577,86 0.261,87 1.844,88 39.019,89 15.289,90 22.582,91 22.643,92 0.253,93 1.743,94 38.064,95 14.91,96 21.919,97 22.097,98 0.238,99 1.525,100 33.81,101 12.962,102 19.336,103 19.339,105 42,106 0.204,107 0.443,108 0.639,109 0.775,110 0.831,111 0.858,112 3.439,113 1.124,114 -4.78,115 -4.7,116 -4.41,121 37.7,123 11,127 6,144 4,145 2,146 1,148 2,176 14,180 5,185 3,187 14,191 1,192 5,197 3,200 10,206 3,209 1,211 5,214 11,219 2,224 3,227 14,232 3,237 1,239 15,244 3,249 1,251 12,256 3,261 1,264 10,269 2,277 10,281 1648,282 21.209,283 21.209,284 21.209,285 21.209,286 21.209,287 19.921,288 20.656,289 13.475,290 21.595,291 16.403,292 16.403,293 16.403,294 16.403,295 16.403,296 14.379,297 23.002,298 6.515,299 17.003,300 4.827,301 3.326,302 2.097,303 1.246,304 0.891,305 0.725,306 4.148,312 1,313 977,314 3.606,318 332.105,322 251.607,325 2.229,326 12.741,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 62.5,338 443,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.86,346 11.348,347 3.162,348 3.914,349 2.885,350 5.982,351 3.524,352 2.532,353 3.437,354 0.8,355 8.37,356 2.512,357 3.522,358 2.669,359 5.381,360 3.439,361 2.522,362 2.893,363 0.4,364 6.965,365 2.31,366 3.522,367 2.356,368 5.34,369 3.136,370 2.182,371 2.522,373 6.711,374 2.08,375 2.942,376 2.176,377 4.116,378 2.896,379 1.901,380 2.142,382 3.85,383 1.89,384 2.908,385 1.916,386 3.986,387 2.651,388 1.677,389 1.914,391 3.505,392 1.634,393 2.702,394 1.736,395 3.878,396 2.513,397 1.531,398 1.717,400 3.329,401 1.505,402 2.593,403 1.559,404 3.711,405 2.39,406 1.475,407 1.613,409 3.273,410 1.344,411 2.495,412 1.447,413 3.603,414 2.345,415 1.347,416 1.495,418 3.064,419 1.343,420 2.473,421 1.35,422 3.594,423 2.242,424 1.247,425 1.473,427 2.902,428 1.24,429 2.244,430 1.334,431 3.483,432 2.172,433 1.225,434 1.241,436 2.628,437 1.147,438 2,439 1.256,440 3.247,441 1.952,442 1,443 1,445 2.136,446 0.946,447 1.972,448 1.004,449 3.21,450 1.867,451 0.894,452 0.944,454 2.008,455 0.867,456 1.696,457 0.687,458 2.921,459 1.569,460 0.59,461 0.637,463 1.291,464 0.576,465 1.381,466 0.335,467 2.79,468 1.198,469 0.233,470 0.253,472 0.52,473 0.224,474 14.533,475 0.484,476 0.342,477 0.011,478 29.25,479 0.975,480 10.5,481 0.35,482 18.75,483 0.625,484 33.442,485 1.115,486 34.667,487 0.502,488 16.725,489 0.557,490 4.751,491 0.158,492 10.165,493 0.339,496 0.2,501 0.944,502 1.449,503 1.035,504 1.273,505 0.835,506 1.177,507 1.453,508 1.256,509 1.162,510 1.148,511 1.157,512 1.135,513 1.052,514 1.008,515 0.97,516 0.93,517 0.96,518 0.939,519 0.761,520 1.036,521 0.998,522 1.013,523 0.852,524 1.015,525 0.93,526 0.947,527 1.019,528 0.967,529 0.997,530 0.99,531 0.783,532 1.028,533 1.075,534 1.094,535 0.938,536 1.105,537 0.68,538 0.971,539 0.983,540 1.03,541 0.832,542 1.031,543 0.723,544 0.901,545 0.921,546 0.944,547 0.801,548 0.948,549 2.5,550 0.066,551 2,552 1.25,553 1.191,554 0.417,555 0.279,556 0.142,557 0.106,558 0.083,559 15359,560 26720,561 2.169,562 56.5,563 16,564 16,567 1,568 2,569 4,572 1.718,573 2.143,574 3.738,575 -0.448,582 88.391,583 1.281,584 2.782,585 4.012,586 4.863,587 5.217,588 5.384,589 3.085,590 4.148,591 4.878,592 4.015,593 1746.45,594 8.453,595 27378.1,600 421.488,601 0.722,602 4.885,603 0.076,604 0.003,605 0.048,606 0.029,607 0.031,608 0.012,609 0.009,610 0.006,611 0.005,612 0.004,613 0.223,614 0.33,615 0.88,617 160.667,618 0.054,619 -0.136,620 0.076,621 -0.04,622 0.136,623 0.01,624 -0.118,625 -0.095,626 -0.082,627 -0.066,628 -0.013,629 -0.072,630 0.016,631 0.021,632 0.039,633 0.058,634 0.076,635 0.05,636 0.01,637 -0.008,638 -0.015,639 -0.024,640 0.048,641 -0.021,642 -0.081,643 0.055,644 -0.039,645 0.02,646 -0.086,647 -0.001,648 -0.068,649 -0.043,650 -0.114,651 -0.084,652 -0.122,653 -0.099,654 -0.016,655 -0.044,656 -0.046,657 -0.05,658 -0.064,659 -0.051,660 -0.004,661 0.006,662 0.014,663 0.012,664 -0.025,665 0.014,666 0.577,667 1.95,668 0.667,669 35.129,670 0.979,671 1.133,672 3.554,673 12.634,674 0.626,675 3.526,676 3.761,677 4.025,678 4.29,679 4.543,680 4.554,681 4.663,682 4.745,683 4.787,684 4.635,685 8.86,686 0.569,687 409.68,688 3.526,689 5.017,690 5.844,691 6.688,692 7.54,693 8.402,694 9.268,695 10.141,696 11.017,697 11.898,698 4.3,701 1,703 1,708 1,714 2,715 4,716 1,720 3,722 11,734 1,741 69,743 11,744 1,745 33,747 72,748 26,749 9,750 2,751 4,756 4,757 7,767 4,770 11,772 9,773 17,793 39,794 4,795 1,796 4,802 3,808 0.5,809 1,822 1,829 4,833 2,855 1,858 1,859 2,868 30,876 17,877 1,878 1,881 1,893 1.4,897 1,901 14,902 11.9,903 6.861,904 5.004,907 2.388,908 1.31,909 0.975,910 8.543,911 10.086,912 3.676,913 4.151,914 4.714,915 5.304,916 5.895,917 6.205,918 6.577,919 6.914,920 7.206,921 7.011,922 1,923 43,924 11.208,926 4.611,927 0.026,929 7.261,931 23.033,933 19.433,936 1.761,937 52.833,941 447.302,942 96.809,943 37.921,945 11,948 96.809,949 458.302,950 37.921,952 45.487,953 37.905,954 45.796,955 16.54,957 447.302,959 447.302,960 134.729,961 11,964 400.217,965 47.084,966 11,968 53.513,969 46.42,970 34.796,972 447.302,973 48.92,974 96.809,977 447.302,978 58.904,979 41.029,980 18.011,981 27.785,982 447.302,983 48.92,984 96.809,986 0.549,987 0.316,988 0.182,989 0.103,990 18,991 6,992 0.153,993 11,994 2,995 1.2,996 4.513,997 245.562,998 0.2,999 20,1000 143.207,1005 21.74,1006 11.788,1007 6.266,1008 2.455,1009 48.92,1010 8.643,1011 4.95,1015 4.193,1017 18.011,1018 593.031,1019 38.5,1031 67.538,1032 78.178,1034 0.21,1035 0.455,1036 0.657,1037 0.796,1038 0.854,1039 0.881,1040 4.881,1041 1.475,1042 5.753,1043 3.329,1044 4.443,1045 4.836,1046 1.324,1047 6.494,1048 4.377,1049 5.989,1050 1.347,1051 7.248,1052 3.273,1053 3.611,1054 4.477,1055 0.325,1056 7.286,1057 3.514,1058 7.246,1059 1.247,1060 8.86,1061 3.064,1062 5.932,1063 6.962,1064 0.958,1065 10.472,1066 5.809,1067 8.551,1068 1.225,1069 10.552,1070 2.902,1071 6.089,1072 7.643,1073 0.268,1074 12.254,1075 5.945,1076 9.908,1077 1,1078 12.301,1079 2.628,1080 7.743,1081 9.538,1082 0.736,1083 14.923,1084 7.574,1085 11.303,1086 0.894,1087 14.089,1088 2.136,1089 8.417,1090 10.686,1091 0.188,1092 17.087,1093 8.236,1094 12.728,1095 0.59,1096 15.905,1097 2.008,1098 9.772,1099 12.353,1100 0.57,1101 19.595,1102 9.569,1103 3.226,1104 0.233,1105 17.743,1106 1.291,1107 10.708,1108 13.708,1109 0.125,1110 21.913,1111 10.494,1112 2.532,1113 11.348,1114 19.595,1115 0.52,1116 11.939,1117 15.283,1118 0.439,1119 24.368,1120 11.706,1121 2.522,1122 8.37,1123 21.459,1124 4.564,1125 13.001,1126 16.729,1127 0.082,1128 26.749,1129 12.754,1130 2.182,1131 6.965,1132 23.333,1133 3.437,1134 14.185,1135 18.269,1136 0.334,1137 29.186,1138 13.921,1139 1.901,1140 6.711,1141 25.214,1142 2.893,1143 15.304,1144 19.754,1145 0.054,1146 31.594,1147 15.024,1148 1.677,1149 3.85,1150 27.101,1151 2.522,1152 16.473,1153 21.28,1154 0.252,1155 34.025,1156 16.176,1157 1.531,1158 3.505,1159 28.994,1160 2.142,1161 17.619,1162 22.783,1163 0.035,1164 36.444,1165 17.305,1166 14290,1167 18971,1168 23.227,1169 43.177,1170 47.01,1171 47.519,1172 47.779,1173 47.198,1174 47.163,1175 55.69,1176 4.12,1177 123.799,1178 45.561,1179 5.64,1180 5.361,1181 6.753,1182 5.31,1183 5.226,1184 7.564,1185 1.72,1186 18.879,1187 5.162,1189 1.425,1190 1.44,1191 1.448,1192 1.43,1193 1.429,1194 1.688,1195 0.125,1196 3.751,1197 1.381,1198 4.114,1199 4.146,1200 4.073,1201 4.041,1202 4.973,1203 4.045,1204 3.852,1205 3.917,1206 3.717,1207 3.698,1208 4.628,1209 3.687,1210 3.746,1211 3.81,1212 3.619,1213 3.649,1214 4.413,1215 3.635,1216 3.731,1217 3.781,1218 3.588,1219 3.571,1220 4.267,1221 3.571,1222 3.586,1223 3.658,1224 3.417,1225 3.424,1226 4.161,1227 3.413,1228 3.382,1229 3.46,1230 3.219,1231 3.215,1232 4.004,1233 3.206,1234 3.231,1235 3.297,1236 3.077,1237 3.094,1238 3.962,1239 3.078,1240 3.137,1241 3.217,1242 2.993,1243 2.967,1244 3.789,1245 2.962,1246 0.141,1247 0.102,1248 0.207,1249 0.127,1250 0.098,1251 4.64,1252 0.138,1253 3.361,1254 0.026,1255 6.829,1256 0.344,1257 4.207,1258 0.096,1259 3.226,1260 4.564,1261 0.86,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.439,1269 2.163,1270 1.819,1271 1.757,1272 2.06,1273 2.01,1274 1.419,1275 2.023,1276 1.754,1277 1.709,1278 1.966,1279 1.932,1280 1.294,1281 1.953,1282 1.73,1283 1.665,1284 1.948,1285 1.872,1286 1.177,1287 1.902,1288 1.59,1289 1.523,1290 1.857,1291 1.79,1292 1.138,1293 1.818,1294 1.381,1295 1.308,1296 1.672,1297 1.6,1298 0.966,1299 1.628,1300 1.241,1301 1.18,1302 1.513,1303 1.421,1304 0.825,1305 1.448,1306 1.153,1307 1.064,1308 1.489,1309 1.376,1310 0.76,1311 1.429,1312 4.205,1314 5.46,1316 6.929,1318 8.511,1320 10.163,1328 20.815,1329 3.808,1330 5.418,1333 2.552,1340 39.261,1341 88.391,1342 191.985,1343 276.82,1344 335.514,1345 359.978,1346 371.488,1347 43.5,1348 7.698,1349 37.39,1350 37.39,1351 24,1352 12.435,1353 3.585,1354 2.7,1355 47.707,1356 161,1357 162,1358 0.138,1359 240.34,1360 415.71,1361 578.189,1362 29508,1364 20.435,1365 0.681,1366 0.621,1367 20.435,1368 18.633,1369 14.916,1370 0.452,1371 0.375,1372 12.255,1373 14.535,1374 12.038,1375 9.96,1376 14.916,1377 12.361,1378 12.226,1379 0.291,1380 0.214,1381 12.226,1382 8.992,1383 10.266,1384 0.187,1385 0.122,1386 10.266,1387 6.726,1388 8.669,1389 0.12,1390 0.069,1391 8.669,1392 4.957,1393 7.297,1394 0.078,1395 0.039,1396 7.297,1397 3.673,1398 0.231,1399 91.97,1400 0.207,1401 29.605,1402 0.343,1403 150,1404 307.359,1405 158.735,1406 298.016,1407 421.19,1408 286,1409 172,1410 311.256,1411 181.596,1412 315.55,1413 465.97,1414 301,1415 7.469}
{0 CHEMBL1819173,1 1.27,2 15.581,3 6.551,4 42.92,5 131.44,6 5.885,7 0.324,8 4.325,9 4.47,10 3.696,11 3.845,12 5.131,13 3.772,14 4.955,15 5.173,16 3.981,17 4.263,18 5.682,19 4.144,20 5.267,21 5.55,22 4.027,23 4.416,24 5.907,25 4.25,26 5.254,27 5.545,28 3.933,29 4.391,30 5.871,31 4.205,32 5.242,33 5.538,34 3.854,35 4.367,36 5.835,37 4.172,38 5.221,39 5.514,40 3.744,41 4.344,42 5.792,43 4.126,44 5.213,45 5.527,46 3.601,47 4.267,48 5.74,49 4.024,50 5.104,51 5.428,52 3.474,53 4.128,54 5.612,55 3.885,56 0.094,57 1.019,58 18.332,59 7.322,60 9.047,61 10.721,62 0.253,63 1.69,64 33.393,65 12.149,66 20.176,67 18.28,68 0.39,69 2.092,70 43.687,71 15.627,72 29.259,73 23.889,74 0.321,75 2.064,76 42.655,77 15.682,78 27.323,79 23.913,80 0.307,81 1.988,82 41.882,83 15.658,84 25.292,85 23.621,86 0.268,87 1.921,88 40.657,89 16.002,90 23.099,91 23.679,92 0.259,93 1.82,94 39.639,95 15.608,96 22.368,97 23.103,98 0.244,99 1.602,100 35.382,101 13.661,102 19.785,103 20.345,105 43,106 0.201,107 0.432,108 0.624,109 0.757,110 0.817,111 0.847,112 3.47,113 1.135,114 -4.99,115 -4.89,116 -4.58,121 37.5,123 12,127 6,144 4,145 2,146 1,148 2,176 15,180 5,185 3,187 15,191 1,192 5,197 3,200 11,206 3,209 1,211 5,214 12,219 2,224 3,227 15,232 3,237 1,239 16,244 3,249 1,251 13,256 3,261 1,264 10,269 3,274 1,277 10,281 1824,282 21.916,283 21.916,284 21.916,285 21.916,286 21.916,287 20.628,288 20.656,289 13.975,290 22.303,291 16.903,292 16.903,293 16.903,294 16.903,295 16.903,296 14.879,297 23.002,298 6.765,299 17.503,300 4.9,301 3.435,302 2.222,303 1.375,304 1,305 0.806,306 4.179,312 1,313 1063,314 3.742,318 351.59,322 266.521,325 2.385,326 12.781,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 64.5,338 483,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.86,346 11.348,347 3.162,348 3.914,349 2.885,350 5.982,351 3.524,352 2.532,353 3.437,354 0.8,355 8.37,356 2.512,357 3.522,358 2.669,359 5.381,360 3.439,361 2.522,362 2.893,363 0.4,364 6.965,365 2.31,366 3.522,367 2.356,368 5.34,369 3.136,370 2.182,371 2.522,373 6.711,374 2.08,375 2.943,376 2.176,377 4.116,378 2.913,379 1.917,380 2.142,382 3.872,383 1.909,384 2.921,385 1.928,386 3.988,387 2.7,388 1.718,389 1.928,391 3.558,392 1.687,393 2.738,394 1.767,395 3.894,396 2.517,397 1.542,398 1.749,400 3.329,401 1.508,402 2.604,403 1.589,404 3.736,405 2.439,406 1.503,407 1.629,409 3.307,410 1.405,411 2.517,412 1.459,413 3.621,414 2.345,415 1.347,416 1.518,418 3.118,419 1.343,420 2.485,421 1.395,422 3.594,423 2.248,424 1.311,425 1.484,427 2.902,428 1.24,429 2.322,430 1.35,431 3.521,432 2.242,433 1.247,434 1.321,436 2.767,437 1.211,438 2.051,439 1.256,440 3.297,441 1.967,442 1,443 1.035,445 2.213,446 0.963,447 2,448 1.111,449 3.247,450 1.952,451 1,452 1,454 2.136,455 0.946,456 1.812,457 0.802,458 3,459 1.693,460 0.711,461 0.764,463 1.569,464 0.697,465 1.502,466 0.489,467 2.847,468 1.363,469 0.392,470 0.42,472 0.85,473 0.38,474 15.033,475 0.485,476 0.342,477 0.011,478 29.75,479 0.96,480 10.5,481 0.339,482 19.25,483 0.621,484 35.336,485 1.14,486 35.967,487 0.5,488 16.855,489 0.544,490 4.751,491 0.153,492 10.665,493 0.344,496 0.193,501 0.947,502 1.451,503 1.049,504 1.281,505 0.839,506 1.188,507 1.45,508 1.265,509 1.171,510 1.161,511 1.155,512 1.148,513 1.046,514 1.007,515 0.969,516 0.932,517 0.954,518 0.941,519 0.759,520 1.034,521 0.996,522 1.011,523 0.847,524 1.013,525 0.925,526 0.949,527 1.016,528 0.968,529 0.99,530 0.989,531 0.78,532 1.027,533 1.07,534 1.089,535 0.931,536 1.099,537 0.678,538 0.972,539 0.981,540 1.028,541 0.827,542 1.028,543 0.718,544 0.904,545 0.921,546 0.946,547 0.794,548 0.949,549 2.5,550 0.066,551 2,552 1.25,553 1.191,554 0.417,555 0.279,556 0.142,557 0.106,558 0.082,559 17200,560 29539,561 2.163,562 56.9,563 18,564 16,567 1,568 2,569 4,572 1.726,573 2.138,574 3.809,575 -0.457,582 91.438,583 1.27,584 2.735,585 3.948,586 4.795,587 5.17,588 5.364,589 3.126,590 4.309,591 4.926,592 4.095,593 1904.06,594 8.542,595 31094.5,600 444.235,601 0.709,602 4.933,603 0.074,604 0.003,605 0.047,606 0.028,607 0.031,608 0.012,609 0.009,610 0.005,611 0.005,612 0.004,613 0.217,614 0.33,615 0.88,617 168.631,618 0.056,619 -0.132,620 0.074,621 -0.039,622 0.14,623 0.01,624 -0.114,625 -0.101,626 -0.086,627 -0.074,628 -0.009,629 -0.079,630 0.02,631 0.021,632 0.041,633 0.056,634 0.081,635 0.049,636 0.013,637 -0.008,638 -0.011,639 -0.021,640 0.052,641 -0.019,642 -0.076,643 0.053,644 -0.035,645 0.02,646 -0.079,648 -0.065,649 -0.041,650 -0.107,651 -0.079,652 -0.116,653 -0.093,654 -0.016,655 -0.043,656 -0.044,657 -0.048,658 -0.061,659 -0.048,660 -0.003,661 0.005,662 0.013,663 0.011,664 -0.022,665 0.013,666 0.575,667 1.954,668 0.645,669 38.081,670 0.978,671 1.133,672 3.756,673 14.105,674 0.624,675 3.555,676 3.784,677 4.043,678 4.304,679 4.554,680 4.564,681 4.673,682 4.754,683 4.796,684 4.644,685 9.34,686 0.567,687 423.71,688 3.555,689 5.043,690 5.866,691 6.708,692 7.556,693 8.416,694 9.28,695 10.151,696 11.025,697 11.905,698 4.2,701 1,703 1,708 1,714 2,715 4,716 1,720 3,722 11,734 1,741 72,743 11,744 1,745 34,747 75,748 27,749 9,750 2,751 4,756 4,757 7,767 4,770 12,772 9,773 18,793 41,794 4,795 1,796 4,802 3,808 0.5,809 1,822 1,829 4,833 2,855 1,858 1,859 2,868 31,876 18,877 1,878 1,881 1,893 1.4,897 1,901 14.5,902 12.4,903 7.111,904 5.254,907 2.383,908 1.308,909 0.972,910 9.176,911 10.123,912 3.701,913 4.167,914 4.723,915 5.309,916 5.898,917 6.207,918 6.578,919 6.915,920 7.206,921 7.012,922 0.9,923 44,924 11.586,926 4.754,927 0.026,929 7.253,931 23.85,933 20.099,936 1.753,937 54.333,941 470.844,942 99.343,943 37.921,945 11,948 99.343,949 481.844,950 37.921,952 48.022,953 37.905,954 45.796,955 16.54,957 470.844,959 470.844,960 137.264,961 11,964 423.76,965 47.084,966 11,968 56.047,969 46.42,970 34.796,972 470.844,973 48.92,974 99.343,977 470.844,978 61.438,979 41.029,980 18.011,981 27.785,982 470.844,983 48.92,984 99.343,986 0.548,987 0.314,988 0.18,989 0.102,990 18,991 6,992 0.16,993 12,994 2,995 1.2,996 4.632,997 253.902,998 0.2,999 20,1000 147.58,1005 22.704,1006 12.529,1007 6.748,1008 2.458,1009 48.92,1010 8.65,1011 4.954,1015 4.198,1017 18.011,1018 619.108,1019 39.5,1031 70.421,1032 81.593,1034 0.206,1035 0.443,1036 0.64,1037 0.777,1038 0.838,1039 0.869,1040 4.903,1041 1.503,1042 5.771,1043 3.329,1044 4.466,1045 4.852,1046 1.324,1047 6.506,1048 4.402,1049 6.007,1050 1.347,1051 7.262,1052 3.307,1053 3.611,1054 4.477,1055 0.325,1056 7.286,1057 3.514,1058 7.26,1059 1.311,1060 8.87,1061 3.118,1062 5.948,1063 6.968,1064 0.958,1065 10.474,1066 5.827,1067 8.56,1068 1.247,1069 10.559,1070 2.902,1071 6.089,1072 7.643,1073 0.268,1074 12.254,1075 5.945,1076 9.915,1077 1,1078 12.305,1079 2.767,1080 7.751,1081 9.539,1082 0.736,1083 14.923,1084 7.585,1085 11.308,1086 1,1087 14.091,1088 2.213,1089 8.417,1090 10.686,1091 0.188,1092 17.087,1093 8.236,1094 12.731,1095 0.711,1096 15.907,1097 2.136,1098 9.776,1099 12.353,1100 0.57,1101 19.595,1102 9.574,1103 3.226,1104 0.392,1105 17.744,1106 1.569,1107 10.708,1108 13.708,1109 0.125,1110 21.913,1111 10.494,1112 2.532,1113 11.348,1114 19.596,1115 0.85,1116 11.941,1117 15.283,1118 0.439,1119 24.368,1120 11.708,1121 2.522,1122 8.37,1123 21.46,1124 4.564,1125 13.001,1126 16.729,1127 0.082,1128 26.749,1129 12.754,1130 2.182,1131 6.965,1132 23.333,1133 3.437,1134 14.185,1135 18.269,1136 0.334,1137 29.186,1138 13.921,1139 1.917,1140 6.711,1141 25.214,1142 2.893,1143 15.304,1144 19.754,1145 0.054,1146 31.594,1147 15.024,1148 1.718,1149 3.872,1150 27.101,1151 2.522,1152 16.474,1153 21.28,1154 0.252,1155 34.025,1156 16.176,1157 1.542,1158 3.558,1159 28.994,1160 2.142,1161 17.619,1162 22.783,1163 0.035,1164 36.444,1165 17.305,1166 16014,1167 21120,1168 23.92,1169 44.938,1170 48.293,1171 48.733,1172 49.067,1173 48.468,1174 48.434,1175 56.961,1176 4.12,1177 126.342,1178 46.832,1179 5.64,1180 5.361,1181 6.765,1182 5.31,1183 5.226,1184 7.564,1185 1.72,1186 18.879,1187 5.162,1189 1.42,1190 1.433,1191 1.443,1192 1.426,1193 1.425,1194 1.675,1195 0.121,1196 3.716,1197 1.377,1198 4.114,1199 4.146,1200 4.074,1201 4.041,1202 4.973,1203 4.045,1204 3.855,1205 3.92,1206 3.719,1207 3.706,1208 4.628,1209 3.693,1210 3.757,1211 3.822,1212 3.62,1213 3.649,1214 4.413,1215 3.635,1216 3.732,1217 3.781,1218 3.599,1219 3.586,1220 4.269,1221 3.584,1222 3.618,1223 3.688,1224 3.449,1225 3.459,1226 4.174,1227 3.448,1228 3.431,1229 3.508,1230 3.261,1231 3.261,1232 4.027,1233 3.25,1234 3.265,1235 3.334,1236 3.11,1237 3.134,1238 3.971,1239 3.119,1240 3.156,1241 3.234,1242 3.017,1243 2.977,1244 3.835,1245 2.975,1246 0.136,1247 0.099,1248 0.201,1249 0.124,1250 0.095,1251 4.64,1252 0.134,1253 3.361,1254 0.025,1255 6.829,1256 0.334,1257 4.207,1258 0.093,1259 3.226,1260 4.564,1261 0.86,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.441,1269 2.163,1270 1.825,1271 1.763,1272 2.066,1273 2.01,1274 1.425,1275 2.025,1276 1.754,1277 1.709,1278 1.979,1279 1.943,1280 1.314,1281 1.964,1282 1.742,1283 1.678,1284 1.949,1285 1.872,1286 1.2,1287 1.902,1288 1.622,1289 1.556,1290 1.883,1291 1.818,1292 1.144,1293 1.847,1294 1.434,1295 1.361,1296 1.725,1297 1.649,1298 1.029,1299 1.678,1300 1.272,1301 1.212,1302 1.535,1303 1.467,1304 0.825,1305 1.495,1306 1.153,1307 1.07,1308 1.513,1309 1.376,1310 0.799,1311 1.429,1312 4.234,1314 5.485,1316 6.948,1318 8.525,1320 10.173,1328 22.287,1329 3.812,1330 5.419,1333 2.555,1340 40.788,1341 91.438,1342 196.898,1343 284.286,1344 345.215,1345 372.235,1346 386.235,1347 46.308,1348 7.74,1349 37.39,1350 37.39,1351 24,1352 12.444,1353 3.585,1354 2.7,1355 50.179,1356 176,1357 175,1358 0.133,1359 249.932,1360 433.01,1361 601.595,1362 31762,1364 21.142,1365 0.682,1366 0.624,1367 21.142,1368 19.34,1369 15.416,1370 0.453,1371 0.378,1372 12.755,1373 15.035,1374 12.528,1375 10.377,1376 15.416,1377 12.861,1378 12.58,1379 0.293,1380 0.217,1381 12.58,1382 9.346,1383 10.516,1384 0.188,1385 0.125,1386 10.516,1387 6.976,1388 8.846,1389 0.121,1390 0.07,1391 8.846,1392 5.134,1393 7.422,1394 0.079,1395 0.04,1396 7.422,1397 3.798,1398 0.223,1399 94.97,1400 0.204,1401 30.566,1402 0.326,1403 154,1404 311.359,1405 162.735,1406 302.177,1407 426.95,1408 290,1409 176,1410 315.256,1411 185.596,1412 319.712,1413 471.73,1414 305,1415 7.547}
{0 CHEMBL1819174,1 1.418,2 17.158,3 7.511,4 56.421,5 150.011,6 7.15,7 0.535,8 4.354,9 4.466,10 3.901,11 3.94,12 5.369,13 3.907,14 4.924,15 5.089,16 4.255,17 4.349,18 5.894,19 4.289,20 5.225,21 5.451,22 4.36,23 4.475,24 6.149,25 4.398,26 5.211,27 5.433,28 4.283,29 4.427,30 6.216,31 4.339,32 5.17,33 5.401,34 4.123,35 4.414,36 6.028,37 4.293,38 5.189,39 5.435,40 3.992,41 4.393,42 5.988,43 4.231,44 5.179,45 5.456,46 3.826,47 4.307,48 5.864,49 4.118,50 5.073,51 5.354,52 3.702,53 4.165,54 5.785,55 3.982,56 0.038,57 0.973,58 15.028,59 6.941,60 8.007,61 9.054,62 0.194,63 1.651,64 28.723,65 12.044,66 23.189,67 16.087,68 0.32,69 2.134,70 41.965,71 15.802,72 42.841,73 21.711,74 0.688,75 2.102,76 41.944,77 14.984,78 72.977,79 20.544,80 0.363,81 2.025,82 39.699,83 15.119,84 44.55,85 20.894,86 0.463,87 2.013,88 40.878,89 16.237,90 50.142,91 22.735,92 0.299,93 1.946,94 41.467,95 16.455,96 37.319,97 23.351,98 0.415,99 1.724,100 38.078,101 14.376,102 43.123,103 20.302,104 2,105 59,106 0.219,107 0.543,108 0.723,109 0.865,110 0.903,111 0.903,112 3.667,113 0.967,114 -5.21,115 -5.1,116 -4.77,121 45.1,123 9,127 2,144 9,145 4,146 3,147 1,148 2,149 1,159 1,176 16,179 1,180 14,185 3,187 17,192 11,197 3,200 11,205 3,206 11,209 1,211 5,214 15,219 2,224 3,227 18,231 2,232 5,237 1,239 20,244 3,251 16,256 5,259 1,264 15,269 4,277 12,281 2752,282 26.673,283 26.673,284 26.673,285 26.673,286 26.673,287 23.881,288 24.935,289 16.241,290 27.07,291 21.319,292 21.319,293 21.319,294 21.319,295 21.319,296 16.938,297 29.333,298 7.792,299 21.975,300 4.732,301 2.641,302 1.473,303 0.556,304 0.31,305 0.31,306 4.392,312 1,313 1478,314 3.808,318 577.771,322 648.945,325 2.51,326 30.678,329 0.75,330 0.5,331 0.67,332 0.7,333 0.5,334 0.83,335 1,336 0.71,337 80.5,338 652,339 4.64,340 3.692,341 6.829,342 4.207,343 3.226,344 4.564,345 0.86,346 11.348,347 3.169,348 4.553,349 3.361,350 6.774,351 4.198,352 3.215,353 4.198,354 0.86,355 11.061,356 3.162,357 4.048,358 2.995,359 6.011,360 3.606,361 2.642,362 3.676,363 0.4,364 8.529,365 2.544,366 3.914,367 2.82,368 5.982,369 3.524,370 2.532,371 3.437,373 8.37,374 2.512,375 3.617,376 2.669,377 5.407,378 3.22,379 2.271,380 2.964,382 6.913,383 2.144,384 3.522,385 2.495,386 5.381,387 3.136,388 2.182,389 2.893,391 6.711,392 2.079,393 3.309,394 2.356,395 5.124,396 2.951,397 2.017,398 2.504,400 6.04,401 1.88,402 2.941,403 1.916,404 4.125,405 2.849,406 1.86,407 2.142,409 3.81,410 1.819,411 2.909,412 1.756,413 4.116,414 2.546,415 1.572,416 2.082,418 3.412,419 1.529,420 2.882,421 1.649,422 3.983,423 2.495,424 1.506,425 1.895,427 3.383,428 1.486,429 2.715,430 1.555,431 3.847,432 2.411,433 1.436,434 1.81,436 3.329,437 1.396,438 2.645,439 1.447,440 3.716,441 2.345,442 1.347,443 1.674,445 3.138,446 1.343,447 2.548,448 1.375,449 3.636,450 2.242,451 1.258,452 1.554,454 3.063,455 1.24,456 2.486,457 1.35,458 3.594,459 2.227,460 1.247,461 1.485,463 2.902,464 1.214,465 2.424,466 1.332,467 3.51,468 2.111,469 1.155,470 1.308,472 2.542,473 1.098,474 18.2,475 0.479,476 0.654,477 0.017,478 49.25,479 1.296,480 25,481 0.658,482 24.25,483 0.638,484 35.731,485 0.94,486 40,487 0.563,488 35.211,489 0.927,490 8.886,491 0.234,492 9.89,493 0.26,494 0.018,496 0.302,501 0.768,502 1.179,503 0.803,504 1.057,505 0.583,506 0.952,507 0.894,508 1.175,509 0.921,510 1.098,511 0.641,512 1.026,513 1.067,514 1.039,515 0.831,516 0.927,517 0.79,518 0.859,519 1.146,520 0.978,521 1.013,522 0.937,523 1.092,524 0.95,525 1.059,526 1.001,527 1.099,528 1.02,529 1.045,530 1.051,531 0.702,532 1.023,533 1.1,534 1.111,535 0.591,536 1.148,537 0.654,538 0.991,539 0.999,540 1.071,541 0.497,542 1.078,543 0.888,544 0.859,545 1.008,546 0.937,547 0.826,548 0.982,549 4.5,550 0.107,551 3.556,552 2.438,553 2.351,554 0.792,555 0.54,556 0.264,557 0.197,558 0.154,559 31291,560 70381,561 2.208,562 46.5,563 12,564 13,566 1,567 1,568 2,569 4,572 1.776,573 2.151,574 3.954,575 -0.453,582 100.657,583 1.418,584 3.509,585 4.677,586 5.593,587 5.84,588 5.84,589 3.292,590 4.669,591 5.23,592 4.237,593 2978.56,594 9.137,595 56317.4,600 436.632,601 1.03,602 5.213,603 0.105,604 0.004,605 0.06,606 0.038,607 0.041,608 0.016,609 0.013,610 0.008,611 0.007,612 0.005,613 0.297,614 0.17,615 0.75,616 0.276,617 219.244,618 -0.001,619 -0.064,620 0.068,621 -0.012,622 0.029,623 0.03,624 0.034,625 -0.114,626 0.007,627 -0.085,628 0.069,629 -0.05,630 -0.001,631 -0.034,632 0.162,633 0.052,634 0.104,635 0.116,636 0.123,637 0.049,638 -0.001,639 0.019,640 0.153,641 -0.001,642 -0.122,643 0.01,644 -0.122,645 -0.041,646 -0.092,647 -0.072,648 0.07,649 -0.057,650 -0.133,651 -0.114,652 0.033,653 -0.142,654 0.012,655 -0.069,656 -0.021,657 -0.071,658 0.009,659 -0.053,660 -0.01,661 0.061,663 0.047,664 -0.038,665 0.028,666 1.729,667 5.66,668 0.737,669 44,670 0.994,671 1.118,672 3.975,673 15.804,674 0.673,675 3.784,676 4.094,677 4.419,678 4.727,679 5.017,680 5.106,681 5.236,682 5.352,683 5.425,684 5.293,685 10.447,686 0.635,687 507.68,688 3.784,689 5.323,690 6.188,691 7.071,692 7.955,693 8.85,694 9.743,695 10.643,696 11.541,697 12.444,698 4.2,703 1,708 2,714 2,715 10,716 2,720 8,722 23,727 1,734 1,739 2,741 71,743 24,744 2,745 43,747 76,748 32,749 20,750 5,751 7,752 1,756 6,757 12,767 4,770 9,772 21,773 11,777 1,782 1,786 1,793 33,794 6,795 1,796 6,802 3,808 0.333,809 3,822 2,829 6,833 4,859 2,868 38,876 11,877 1,878 2,893 4.2,896 1,898 2,901 17.667,902 12.733,903 8.389,904 4.904,907 4.735,908 1.524,909 1.02,910 7.552,911 13.774,912 4.034,913 4.63,914 5.265,915 5.882,916 6.478,917 6.785,918 7.167,919 7.526,920 7.847,921 7.846,922 0.909,923 64,924 14.135,926 6.097,927 0.026,929 7.535,931 27.807,933 23.626,936 2.035,937 77.333,941 376.675,942 164.065,943 51.582,945 47.145,948 164.065,949 423.82,950 51.582,952 29.509,953 85.286,954 93.631,955 61.321,956 4.815,957 364.904,959 376.675,960 215.647,961 47.145,964 329.591,965 94.229,968 43.457,969 120.608,970 51.582,972 376.675,973 98.727,974 164.065,977 376.675,978 69.731,979 94.334,980 18.011,981 80.716,982 376.675,983 98.727,984 164.065,986 0.57,987 0.34,988 0.198,989 0.114,990 29,991 11,992 0.132,993 10,994 4,995 1.286,996 5.138,997 363.048,998 0.286,999 28,1000 199.421,1005 24.882,1006 11.533,1007 5.425,1008 2.358,1009 98.727,1010 19.032,1011 9.115,1015 6.662,1017 18.011,1018 639.467,1019 55.5,1024 12.66,1028 -0.063,1031 70.541,1032 79.351,1034 0.231,1035 0.571,1036 0.76,1037 0.91,1038 0.95,1039 0.95,1040 5.267,1041 1.86,1042 6.146,1043 6.04,1044 4.779,1045 5.318,1046 1.454,1047 6.967,1048 4.723,1049 6.451,1050 1.572,1051 7.699,1052 3.81,1053 4.205,1054 5.085,1056 7.886,1057 4.132,1058 7.755,1059 1.506,1060 9.362,1061 3.412,1062 6.361,1063 7.542,1064 1.175,1065 11.057,1066 6.258,1067 9.1,1068 1.436,1069 11.095,1070 3.383,1071 6.698,1072 8.211,1074 12.861,1075 6.588,1076 10.486,1077 1.347,1078 12.874,1079 3.329,1080 8.256,1081 10.103,1082 0.966,1083 15.535,1084 8.119,1085 11.901,1086 1.258,1087 14.683,1088 3.138,1089 9.038,1090 11.194,1092 17.689,1093 8.896,1094 13.338,1095 1.247,1096 16.514,1097 3.063,1098 10.35,1099 12.855,1100 0.788,1101 20.198,1102 10.186,1103 3.226,1104 1.155,1105 18.362,1106 2.902,1107 11.343,1108 14.152,1110 22.5,1111 11.171,1112 3.215,1113 11.348,1114 20.221,1115 2.542,1116 12.557,1117 15.713,1118 0.634,1119 24.95,1120 12.367,1121 2.642,1122 11.061,1123 22.09,1124 4.564,1125 13.647,1126 17.111,1128 27.315,1129 13.444,1130 2.532,1131 8.529,1132 23.966,1133 4.198,1134 14.826,1135 18.632,1136 0.504,1137 29.745,1138 14.607,1139 2.271,1140 8.37,1141 25.848,1142 3.676,1143 15.958,1144 20.08,1146 32.138,1147 15.724,1148 2.182,1149 6.913,1150 27.735,1151 3.437,1152 17.126,1153 21.586,1154 0.395,1155 34.56,1156 16.876,1157 2.017,1158 6.711,1159 29.626,1160 2.964,1161 18.277,1162 23.06,1164 36.967,1165 18.011,1166 28025,1167 42399,1168 30.107,1169 47.802,1170 63.534,1171 65.359,1172 64.696,1173 63.318,1174 63.282,1175 81.623,1176 4.24,1177 179.172,1178 61.466,1179 5.601,1180 5.692,1181 6.738,1182 5.309,1183 5.226,1184 7.564,1185 1.72,1186 18.887,1187 5.169,1188 8.733,1189 1.478,1190 1.52,1191 1.505,1192 1.473,1193 1.472,1194 1.898,1195 0.099,1196 4.167,1197 1.429,1198 4.118,1199 4.149,1200 4.078,1201 4.044,1202 7.427,1203 4.048,1204 4.027,1205 4.037,1206 3.999,1207 3.931,1208 5.014,1209 3.945,1210 3.784,1211 3.836,1212 3.705,1213 3.669,1214 4.965,1215 3.671,1216 3.736,1217 3.781,1218 3.621,1219 3.652,1220 4.77,1221 3.638,1222 3.728,1223 3.774,1224 3.589,1225 3.625,1226 4.414,1227 3.609,1228 3.538,1229 3.609,1230 3.381,1231 3.371,1232 4.391,1233 3.362,1234 3.312,1235 3.374,1236 3.199,1237 3.163,1238 4.254,1239 3.157,1240 3.21,1241 3.252,1242 3.113,1243 3.05,1244 4.11,1245 3.066,1246 0.108,1247 0.086,1248 0.159,1249 0.098,1250 0.075,1251 4.64,1252 0.106,1253 3.692,1254 0.02,1255 6.829,1256 0.264,1257 4.207,1258 0.074,1259 3.226,1260 4.564,1261 0.86,1262 11.348,1263 3.169,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.437,1269 2.163,1270 1.963,1271 1.954,1272 2.039,1273 2.079,1274 1.383,1275 2.061,1276 1.78,1277 1.727,1278 2.013,1279 1.944,1280 1.168,1281 1.972,1282 1.754,1283 1.709,1284 1.949,1285 1.872,1286 1.134,1287 1.902,1288 1.724,1289 1.686,1290 1.852,1291 1.847,1292 1.104,1293 1.851,1294 1.538,1295 1.469,1296 1.8,1297 1.735,1298 0.898,1299 1.761,1300 1.297,1301 1.239,1302 1.549,1303 1.506,1304 0.793,1305 1.524,1306 1.166,1307 1.126,1308 1.451,1309 1.364,1310 0.747,1311 1.381,1312 4.466,1314 5.778,1316 7.307,1318 8.949,1320 10.654,1328 12.019,1329 3.769,1330 11.78,1340 45.111,1341 100.657,1342 249.124,1343 332.045,1344 397.122,1345 414.632,1346 414.632,1347 61.402,1348 9.038,1349 77.25,1350 77.25,1351 36,1352 12.965,1353 4.644,1354 3.755,1355 53.87,1356 252,1357 180,1358 0.101,1359 270.608,1360 472.09,1361 652.043,1362 167081,1364 25.736,1365 0.677,1366 0.57,1367 25.736,1368 21.671,1369 18.776,1370 0.437,1371 0.322,1372 13.739,1373 18.263,1374 13.511,1375 11.158,1376 18.776,1377 13.866,1378 16.275,1379 0.276,1380 0.172,1381 16.275,1382 10.125,1383 14.365,1384 0.175,1385 0.091,1386 14.365,1387 7.481,1388 12.554,1389 0.112,1390 0.049,1391 12.554,1392 5.494,1393 10.739,1394 0.072,1395 0.027,1396 10.739,1397 4.051,1398 0.17,1399 116.275,1400 0.182,1401 35.755,1402 0.249,1403 204,1404 528.83,1405 219.46,1406 510.693,1407 720.36,1408 484,1409 243,1410 548.335,1411 259.46,1412 551.658,1413 819.91,1414 525,1415 6.548}
{0 CHEMBL1819175,1 1.24,2 15.85,3 9.091,4 82.654,5 167.191,6 6.754,7 0.609,8 4.435,9 4.563,10 3.943,11 4.064,12 5.375,13 4.006,14 5.011,15 5.192,16 4.302,17 4.498,18 5.877,19 4.409,20 5.321,21 5.566,22 4.403,23 4.636,24 6.116,25 4.522,26 5.335,27 5.582,28 4.354,29 4.622,30 6.138,31 4.501,32 5.336,33 5.58,34 4.277,35 4.638,36 6.09,37 4.496,38 5.392,39 5.647,40 4.184,41 4.656,42 6.099,43 4.482,44 5.405,45 5.688,46 4.009,47 4.588,48 6.053,49 4.379,50 5.312,51 5.611,52 3.84,53 4.447,54 5.926,55 4.225,56 0.086,57 1.088,58 17.507,59 7.532,60 11.409,61 10.599,62 0.171,63 1.887,64 32.25,65 13.42,66 21.358,67 19.12,68 0.286,69 2.503,70 45.847,71 17.843,72 34.702,73 25.935,74 0.406,75 2.583,76 46.916,77 17.242,78 41.438,79 25.227,80 0.321,81 2.523,82 46.574,83 18.125,84 34.672,85 26.274,86 0.297,87 2.593,88 49.284,89 20.204,90 34.903,91 29.079,92 0.281,93 2.545,94 50.542,95 21.148,96 36.012,97 30.451,98 0.286,99 2.292,100 46.465,101 19.372,102 33.927,103 27.946,105 64,106 0.187,107 0.492,108 0.651,109 0.785,110 0.838,111 0.857,112 3.717,113 0.994,114 -6.61,115 -6.43,116 -5.96,121 46.2,123 10,127 2,144 12,145 6,146 2,148 4,176 24,180 8,185 6,187 27,192 9,197 6,200 19,206 5,209 2,211 10,214 20,219 1,224 7,227 26,232 2,237 4,239 33,244 2,251 30,256 2,260 1,264 26,269 2,277 19,281 3048,282 28.38,283 28.38,284 28.38,285 28.38,286 28.38,287 25.116,288 25.133,289 17.284,290 28.599,291 22.844,292 22.844,293 22.844,294 22.844,295 22.844,296 17.815,297 32.638,298 8.295,299 23.222,300 5.045,301 3.032,302 1.982,303 1.09,304 0.744,305 0.615,306 4.452,313 1459,314 3.873,317 64.211,318 540.155,321 252.313,322 465.783,325 2.053,326 17.247,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.67,335 1,336 0.59,337 82,338 634,339 4.722,340 3.473,341 6.982,342 4.326,343 3.341,344 4.616,345 0.68,346 11.917,347 3.29,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 4.564,354 0.4,355 11.348,356 3.162,357 4.276,358 2.941,359 6.433,360 3.855,361 2.863,362 3.968,363 0.4,364 9.915,365 2.838,366 3.914,367 2.669,368 5.982,369 3.524,370 2.532,371 3.437,373 8.37,374 2.512,375 3.698,376 2.406,377 5.72,378 3.271,379 2.295,380 3.185,382 7.491,383 2.243,384 3.522,385 2.356,386 5.381,387 3.136,388 2.182,389 2.893,391 6.711,392 2.08,393 3.428,394 2.107,395 5.305,396 2.992,397 2.019,398 2.811,400 6.35,401 1.961,402 2.95,403 1.938,404 4.607,405 2.868,406 1.875,407 2.15,409 4.458,410 1.861,411 2.941,412 1.826,413 4.116,414 2.601,415 1.62,416 2.142,418 3.83,419 1.589,420 2.901,421 1.681,422 4.001,423 2.529,424 1.539,425 2.058,427 3.472,428 1.521,429 2.892,430 1.546,431 3.958,432 2.495,433 1.502,434 1.907,436 3.329,437 1.49,438 2.775,439 1.449,440 3.813,441 2.424,442 1.433,443 1.896,445 3.248,446 1.419,447 2.664,448 1.434,449 3.667,450 2.345,451 1.347,452 1.691,454 3.073,455 1.343,456 2.569,457 1.353,458 3.635,459 2.309,460 1.309,461 1.584,463 2.939,464 1.308,465 2.488,466 1.35,467 3.594,468 2.242,469 1.247,470 1.487,472 2.902,473 1.24,474 19.6,475 0.49,476 0.651,477 0.016,478 52,479 1.3,480 27,481 0.675,482 25,483 0.625,484 40.149,485 1.004,486 41,487 0.526,488 36.491,489 0.912,490 9.225,491 0.231,492 10.641,493 0.266,496 0.306,501 0.97,502 1.11,503 0.881,504 0.971,505 0.82,506 0.93,507 1.007,508 1.181,509 0.973,510 1.064,511 0.855,512 1.025,513 1.106,514 1.08,515 0.865,516 0.92,517 0.887,518 0.885,519 1.532,520 1.009,521 1.04,522 0.934,523 1.192,524 0.952,525 1.393,526 1.009,527 1.114,528 1.013,529 1.15,530 1.04,531 1.07,532 1.032,533 1.148,534 1.108,535 1.053,536 1.128,537 0.81,538 0.984,539 1.078,540 1.084,541 0.958,542 1.095,543 0.701,544 0.898,545 1.003,546 1.01,547 0.901,548 1.023,549 4,550 0.11,551 3.778,552 2.764,553 2.315,554 1.094,555 0.573,556 0.311,557 0.211,558 0.158,559 34373,560 65348,561 2.259,562 48.7,563 14,564 16,567 2,568 2,569 4,572 1.792,573 2.222,574 3.823,582 96.723,583 1.24,584 3.254,585 4.304,586 5.195,587 5.542,588 5.67,589 3.052,590 4.822,591 5.305,592 4.113,593 3208.29,594 9.307,595 61279.6,600 490.261,601 0.881,602 5.295,603 0.087,604 0.004,605 0.059,606 0.04,607 0.036,608 0.019,609 0.011,610 0.007,611 0.006,612 0.005,613 0.274,614 0.33,615 0.63,617 231.389,618 0.015,619 -0.001,620 0.07,621 0.047,622 0.107,623 0.059,624 0.015,625 -0.117,626 -0.006,627 -0.062,628 0.086,629 -0.04,630 0.088,631 -0.053,632 0.132,633 0.054,634 0.174,635 0.088,636 -0.025,637 0.059,638 -0.026,639 0.013,640 0.004,641 -0.003,642 -0.187,643 0.022,644 -0.12,645 -0.041,646 -0.14,647 -0.07,648 -0.152,649 -0.05,650 -0.168,651 -0.116,652 -0.16,653 -0.138,654 -0.065,655 -0.052,656 -0.099,657 -0.084,658 -0.11,659 -0.092,660 0.036,661 0.017,662 -0.018,663 -0.012,664 -0.055,665 -0.017,666 0.587,667 2.057,668 0.775,669 43.24,670 0.98,671 1.116,672 5.382,673 28.964,674 0.679,675 3.85,676 4.174,677 4.533,678 4.883,679 5.193,680 5.328,681 5.521,682 5.677,683 5.727,684 5.687,685 9.949,686 0.629,687 526.78,688 3.85,689 5.398,690 6.279,691 7.175,692 8.079,693 8.99,694 9.903,695 10.821,696 11.74,697 12.661,698 5.1,703 2,708 2,714 4,715 12,716 2,720 8,722 28,734 2,741 78,743 28,744 3,745 46,747 84,748 36,749 24,750 6,751 12,756 7,757 16,767 5,770 10,772 24,773 12,793 38,794 4,795 2,796 4,802 4,808 0.286,822 2,828 1,829 6,832 2,833 3,859 2,868 40,876 12,877 2,901 18,902 13.9,903 8.778,904 5.45,907 5.904,908 1.621,909 1.057,910 7.294,911 15.405,912 4.111,913 4.749,914 5.433,915 6.107,916 6.756,917 7.147,918 7.633,919 8.089,920 8.454,921 8.615,922 0.9,923 69,924 14.864,926 6.405,927 0.026,929 7.325,931 29.998,933 26.118,936 1.825,937 73,941 423.76,942 176.475,943 69.593,948 176.475,949 423.76,950 69.593,952 29.557,953 113.715,954 69.593,955 33.203,957 423.76,959 423.76,960 246.068,964 376.675,965 47.084,968 39.358,969 137.117,970 69.593,972 423.76,973 69.593,974 176.475,977 423.76,978 62.76,979 113.715,980 36.022,981 33.571,982 423.76,983 69.593,984 176.475,986 0.57,987 0.344,988 0.207,989 0.122,990 33,991 12,992 0.119,993 10,994 5,995 1.323,996 5.242,997 408.364,998 0.323,999 31,1000 208.122,1005 25.388,1006 11.492,1007 5.063,1008 4.74,1009 69.593,1010 25.922,1011 10.038,1015 10.616,1017 36.022,1018 669.827,1019 60,1031 76.428,1032 87.052,1034 0.197,1035 0.518,1036 0.685,1037 0.827,1038 0.882,1039 0.902,1040 5.347,1041 1.875,1042 6.24,1043 6.35,1044 4.86,1045 5.438,1046 0.942,1047 7.089,1048 4.826,1049 6.545,1050 1.62,1051 7.807,1052 4.458,1053 4.29,1054 5.247,1056 8.061,1057 4.24,1058 7.86,1059 1.539,1060 9.485,1061 3.83,1062 6.463,1063 7.726,1064 0.425,1065 11.257,1066 6.396,1067 9.221,1068 1.502,1069 11.235,1070 3.472,1071 6.836,1072 8.458,1074 13.127,1075 6.752,1076 10.624,1077 1.433,1078 13.032,1079 3.329,1080 8.399,1081 10.363,1082 0.194,1083 15.819,1084 8.3,1085 12.057,1086 1.347,1087 14.86,1088 3.248,1089 9.223,1090 11.518,1092 18.033,1093 9.107,1094 13.513,1095 1.309,1096 16.71,1097 3.073,1098 10.542,1099 13.191,1100 0.09,1101 20.564,1102 10.411,1103 3.341,1104 1.247,1105 18.575,1106 2.939,1107 11.571,1108 14.542,1110 22.916,1111 11.423,1112 3.226,1113 11.917,1114 20.452,1115 2.902,1116 12.798,1117 16.121,1118 0.042,1119 25.394,1120 12.634,1121 2.863,1122 11.348,1123 22.337,1124 4.616,1125 13.917,1126 17.561,1128 27.803,1129 13.735,1130 2.532,1131 9.915,1132 24.23,1133 4.564,1134 15.112,1135 19.102,1136 0.019,1137 30.265,1138 14.914,1139 2.295,1140 8.37,1141 26.128,1142 3.968,1143 16.269,1144 20.584,1146 32.7,1147 16.053,1148 2.182,1149 7.491,1150 28.031,1151 3.437,1152 17.456,1153 22.111,1154 0.009,1155 35.158,1156 17.224,1157 2.019,1158 6.711,1159 29.938,1160 3.185,1161 18.63,1162 23.613,1164 37.606,1165 18.38,1166 30362,1167 42058,1168 32.591,1169 52.967,1170 68.449,1171 69.067,1172 69.724,1173 68.582,1174 68.584,1175 90.014,1176 2.96,1177 197.341,1178 67.414,1179 5.685,1180 5.473,1181 6.89,1182 5.371,1183 5.341,1184 7.616,1185 1.36,1186 19.607,1187 5.29,1189 1.488,1190 1.501,1191 1.516,1192 1.491,1193 1.491,1194 1.957,1195 0.064,1196 4.29,1197 1.466,1198 4.163,1199 4.191,1200 4.128,1201 4.101,1202 5.017,1203 4.104,1204 4.1,1205 4.129,1206 4.064,1207 4.031,1208 4.964,1209 4.036,1210 3.871,1211 3.898,1212 3.812,1213 3.824,1214 4.699,1215 3.818,1216 3.767,1217 3.833,1218 3.622,1219 3.654,1220 4.413,1221 3.64,1222 3.732,1223 3.781,1224 3.6,1225 3.636,1226 4.332,1227 3.619,1228 3.571,1229 3.648,1230 3.428,1231 3.418,1232 4.271,1233 3.411,1234 3.44,1235 3.492,1236 3.329,1237 3.338,1238 4.211,1239 3.328,1240 3.305,1241 3.377,1242 3.165,1243 3.164,1244 4.02,1245 3.155,1246 0.103,1247 0.076,1248 0.152,1249 0.094,1250 0.073,1251 4.722,1252 0.1,1253 3.473,1254 0.015,1255 6.982,1256 0.259,1257 4.326,1258 0.072,1259 3.341,1260 4.616,1261 0.68,1262 11.917,1263 3.29,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.437,1269 2.163,1270 2.039,1271 2.017,1272 2.107,1273 2.123,1274 1.389,1275 2.119,1276 1.882,1277 1.858,1278 2.025,1279 1.954,1280 1.263,1281 1.977,1282 1.778,1283 1.716,1284 1.995,1285 1.937,1286 1.164,1287 1.963,1288 1.754,1289 1.708,1290 1.949,1291 1.872,1292 1.143,1293 1.902,1294 1.578,1295 1.518,1296 1.832,1297 1.773,1298 1.117,1299 1.797,1300 1.491,1301 1.441,1302 1.663,1303 1.62,1304 0.857,1305 1.638,1306 1.302,1307 1.239,1308 1.557,1309 1.506,1310 0.805,1311 1.528,1312 4.533,1314 5.855,1315 2.398,1316 7.396,1317 4.844,1318 9.048,1319 7.066,1320 10.763,1328 14.021,1329 7.664,1340 49.041,1341 96.723,1342 253.777,1343 335.674,1344 405.242,1345 432.261,1346 442.261,1347 51.67,1348 9.501,1349 49.84,1350 49.84,1351 41,1352 13.169,1353 4.858,1354 3.907,1355 52.928,1356 253,1357 162,1358 0.1,1359 293.462,1360 500.02,1361 707.807,1362 285088,1364 26.727,1365 0.668,1366 0.583,1367 26.727,1368 23.308,1369 19.865,1370 0.432,1371 0.331,1372 15.177,1373 19.609,1374 14.873,1375 12.302,1376 19.865,1377 15.248,1378 17.248,1379 0.27,1380 0.178,1381 17.248,1382 11.423,1383 15.501,1384 0.168,1385 0.095,1386 15.501,1387 8.759,1388 13.928,1389 0.106,1390 0.051,1391 13.928,1392 6.726,1393 12.243,1394 0.068,1395 0.028,1396 12.243,1397 5.065,1398 0.165,1399 120.917,1400 0.175,1401 36.756,1402 0.251,1403 220,1404 441.956,1405 227.549,1406 450.174,1407 659,1408 430,1409 266,1410 518.014,1411 274.826,1412 532.261,1413 794.26,1414 509,1415 7.857}
{0 CHEMBL1819176,1 1.326,2 16.463,3 9.756,4 95.176,5 171.996,6 7.195,7 0.596,8 4.439,9 4.563,10 3.997,11 4.078,12 5.391,13 4.021,14 5.015,15 5.191,16 4.377,17 4.517,18 5.906,19 4.429,20 5.328,21 5.565,22 4.476,23 4.659,24 6.15,25 4.545,26 5.34,27 5.581,28 4.434,29 4.639,30 6.173,31 4.52,32 5.339,33 5.58,34 4.354,35 4.654,36 6.109,37 4.515,38 5.396,39 5.647,40 4.314,41 4.677,42 6.133,43 4.508,44 5.413,45 5.687,46 4.166,47 4.624,48 6.099,49 4.417,50 5.324,51 5.609,52 3.984,53 4.489,54 5.993,55 4.267,56 0.075,57 1.076,58 16.681,59 7.378,60 9.929,61 10.283,62 0.16,63 1.868,64 31.911,65 13.366,66 21.301,67 18.794,68 0.303,69 2.48,70 48.534,71 18.235,72 36.617,73 25.925,74 0.458,75 2.564,76 48.837,77 17.486,78 45.521,79 25.099,80 0.328,81 2.512,82 47.308,83 18.301,84 34.72,85 26.129,86 0.347,87 2.573,88 51.483,89 20.435,90 37.101,91 29.055,92 0.33,93 2.516,94 56.267,95 21.816,96 39.082,97 30.766,98 0.364,99 2.255,100 54.769,101 20.255,102 40.72,103 28.426,104 2,105 66,106 0.2,107 0.511,108 0.679,109 0.819,110 0.865,111 0.873,112 3.741,113 1.004,114 -7.06,115 -6.86,116 -6.34,121 46.2,123 10,127 2,144 11,145 6,146 3,148 4,176 22,180 8,185 6,187 28,192 8,197 6,200 19,206 6,209 2,211 10,214 21,219 1,224 6,227 24,232 2,237 5,239 33,244 2,251 30,256 2,260 1,264 27,269 2,277 19,281 3254,282 28.827,283 28.827,284 28.827,285 28.827,286 28.827,287 25.539,288 26.734,289 17.42,290 29.183,291 23.327,292 23.327,293 23.327,294 23.327,295 23.327,296 18.228,297 33.279,298 8.375,299 23.972,300 4.96,301 2.905,302 1.796,303 0.866,304 0.564,305 0.513,306 4.474,308 1,313 1547,314 3.937,317 66.548,318 556.857,321 261.148,322 479.29,325 2.095,326 20.442,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.67,335 1,336 0.59,337 84.333,338 675,339 4.722,340 3.473,341 6.982,342 4.326,343 3.341,344 4.616,345 0.68,346 11.917,347 3.29,348 4.651,349 3.373,350 6.833,351 4.214,352 3.235,353 4.582,354 0.4,355 11.364,356 3.165,357 4.276,358 2.943,359 6.433,360 3.855,361 2.863,362 3.968,363 0.4,364 9.915,365 2.838,366 3.99,367 2.941,368 6.004,369 3.58,370 2.61,371 3.534,373 8.477,374 2.532,375 3.698,376 2.562,377 5.72,378 3.271,379 2.295,380 3.185,382 7.491,383 2.243,384 3.584,385 2.406,386 5.427,387 3.193,388 2.252,389 2.961,391 6.886,392 2.103,393 3.428,394 2.271,395 5.305,396 2.993,397 2.019,398 2.811,400 6.35,401 1.961,402 3.365,403 2.107,404 4.899,405 2.897,406 1.986,407 2.699,409 5.573,410 1.863,411 2.95,412 1.938,413 4.607,414 2.854,415 1.872,416 2.15,418 4.458,419 1.704,420 2.902,421 1.825,422 4.121,423 2.601,424 1.62,425 2.058,427 3.831,428 1.589,429 2.896,430 1.67,431 4,432 2.519,433 1.528,434 1.911,436 3.472,437 1.512,438 2.775,439 1.495,440 3.955,441 2.427,442 1.438,443 1.897,445 3.363,446 1.419,447 2.701,448 1.435,449 3.806,450 2.423,451 1.431,452 1.745,454 3.167,455 1.415,456 2.59,457 1.433,458 3.665,459 2.309,460 1.309,461 1.603,463 3.037,464 1.308,465 2.489,466 1.353,467 3.625,468 2.25,469 1.258,470 1.489,472 2.939,473 1.246,474 20.314,475 0.495,476 0.757,477 0.018,478 52.75,479 1.287,480 27,481 0.659,482 25.75,483 0.628,484 42.765,485 1.043,486 42.086,487 0.54,488 37.331,489 0.911,490 9.297,491 0.227,492 10.962,493 0.267,494 0.035,496 0.32,501 0.806,502 1.109,503 0.73,504 0.922,505 0.699,506 0.899,507 0.844,508 1.179,509 0.807,510 1.01,511 0.689,512 0.991,513 1.019,514 1.081,515 0.841,516 0.914,517 0.859,518 0.884,519 1.187,520 1.016,521 0.898,522 0.924,523 0.968,524 0.945,525 1.085,526 1.009,527 0.895,528 0.967,529 0.929,530 1.014,531 0.826,532 1.035,533 0.933,534 1.068,535 0.845,536 1.101,537 0.885,538 0.983,539 1.066,540 1.08,541 0.998,542 1.095,543 0.996,544 0.901,545 1.206,546 1.073,547 1.15,548 1.069,549 5,550 0.127,551 4,552 2.951,553 2.506,554 1.233,555 0.736,556 0.389,557 0.256,558 0.178,559 36382,560 76861,561 2.236,562 47.4,563 14,564 15,567 2,568 2,569 4,572 1.798,573 2.177,574 3.871,575 0.016,582 103.394,583 1.326,584 3.381,585 4.489,586 5.42,587 5.721,588 5.773,589 3.124,590 5.065,591 5.341,592 4.148,593 3401.29,594 9.38,595 66024.5,600 490.261,601 1.053,602 5.323,603 0.106,604 0.004,605 0.061,606 0.042,607 0.038,608 0.02,609 0.013,610 0.009,611 0.007,612 0.006,613 0.305,614 0.33,615 0.63,616 0.261,617 238.901,618 -0.006,619 -0.001,620 0.044,621 0.044,622 0.06,623 0.056,624 0.01,625 -0.114,626 0.015,627 -0.044,628 0.114,629 -0.027,630 0.034,631 -0.053,632 0.085,633 0.05,634 0.112,635 0.084,636 0.029,637 0.056,638 -0.006,639 0.009,640 0.05,641 -0.003,642 -0.128,643 0.027,644 -0.059,645 -0.016,646 -0.093,647 -0.051,648 -0.02,649 -0.05,650 -0.064,651 -0.09,652 -0.052,653 -0.114,654 -0.056,655 -0.051,656 -0.071,657 -0.073,658 -0.102,659 -0.085,660 -0.042,661 0.012,662 -0.093,663 -0.052,664 -0.126,665 -0.052,666 0.909,667 2.178,668 0.756,669 44.583,670 0.984,671 1.115,672 5.827,673 33.952,674 0.69,675 3.871,676 4.205,677 4.554,678 4.905,679 5.22,680 5.371,681 5.561,682 5.724,683 5.771,684 5.733,685 10.115,686 0.639,687 561.22,688 3.871,689 5.425,690 6.304,691 7.204,692 8.107,693 9.02,694 9.933,695 10.853,696 11.772,697 12.695,698 5.1,703 2,708 2,714 4,715 11,716 2,720 9,722 28,734 2,740 1,741 78,743 28,744 3,745 47,747 84,748 36,749 24,750 7,751 11,756 7,757 16,758 1,767 5,770 10,772 24,773 12,793 37,794 4,795 2,796 5,797 1,802 4,808 0.286,822 2,828 1,829 6,832 2,833 3,859 2,865 1,868 41,876 12,877 2,892 1,901 18.833,902 13.96,903 8.944,904 5.43,907 5.913,908 1.618,909 1.053,910 7.717,911 15.483,912 4.127,913 4.775,914 5.452,915 6.13,916 6.785,917 7.194,918 7.673,919 8.134,920 8.491,921 8.651,922 1,923 71,924 15.223,926 6.575,927 0.026,929 7.373,931 30.559,933 26.595,936 1.873,937 76.778,941 411.989,942 170.5,943 69.593,944 39.149,948 170.5,949 451.137,950 69.593,952 29.557,953 104.239,954 69.593,955 36.704,957 411.989,958 39.149,959 411.989,960 240.092,962 39.149,964 364.904,965 47.084,968 39.358,969 131.141,970 108.741,972 411.989,973 69.593,974 209.648,977 411.989,978 66.261,979 104.239,980 36.022,981 72.72,982 411.989,983 69.593,984 209.648,986 0.574,987 0.343,988 0.205,989 0.121,990 34,991 13,992 0.119,993 10,994 5,995 1.323,996 5.287,997 422.552,998 0.323,999 31,1000 215.66,1005 26.591,1006 11.899,1007 5.372,1008 4.534,1009 69.593,1010 23.384,1011 10.012,1015 11.19,1017 36.022,1018 691.229,1019 61,1031 76.752,1032 86.996,1034 0.211,1035 0.538,1036 0.714,1037 0.862,1038 0.91,1039 0.918,1040 5.371,1041 1.986,1042 6.275,1043 6.35,1044 4.89,1045 5.464,1046 0.942,1047 7.125,1048 4.839,1049 6.576,1050 1.872,1051 7.844,1052 5.573,1053 4.369,1054 5.316,1056 8.095,1057 4.274,1058 7.896,1059 1.62,1060 9.523,1061 4.458,1062 6.5,1063 7.757,1064 0.425,1065 11.282,1066 6.408,1067 9.26,1068 1.528,1069 11.271,1070 3.831,1071 6.889,1072 8.504,1074 13.141,1075 6.77,1076 10.664,1077 1.438,1078 13.063,1079 3.472,1080 8.433,1081 10.393,1082 0.194,1083 15.834,1084 8.31,1085 12.096,1086 1.431,1087 14.887,1088 3.363,1089 9.259,1090 11.551,1092 18.042,1093 9.117,1094 13.551,1095 1.309,1096 16.733,1097 3.167,1098 10.571,1099 13.219,1100 0.09,1101 20.574,1102 10.419,1103 3.341,1104 1.258,1105 18.594,1106 3.037,1107 11.599,1108 14.57,1110 22.924,1111 11.431,1112 3.235,1113 11.917,1114 20.468,1115 2.939,1116 12.823,1117 16.147,1118 0.042,1119 25.402,1120 12.641,1121 2.863,1122 11.364,1123 22.351,1124 4.616,1125 13.94,1126 17.588,1128 27.811,1129 13.742,1130 2.61,1131 9.915,1132 24.242,1133 4.582,1134 15.134,1135 19.129,1136 0.019,1137 30.272,1138 14.921,1139 2.295,1140 8.477,1141 26.139,1142 3.968,1143 16.29,1144 20.612,1146 32.708,1147 16.06,1148 2.252,1149 7.491,1150 28.04,1151 3.534,1152 17.476,1153 22.139,1154 0.009,1155 35.165,1156 17.23,1157 2.019,1158 6.886,1159 29.946,1160 3.185,1161 18.65,1162 23.642,1164 37.613,1165 18.386,1166 32290,1167 47147,1168 32.997,1169 53.824,1170 70.104,1171 71.064,1172 71.613,1173 70.414,1174 70.194,1175 91.794,1176 2.96,1177 203.54,1178 68.2,1179 5.685,1180 5.473,1181 6.89,1182 5.371,1183 5.341,1184 7.616,1185 1.36,1186 19.607,1187 5.29,1188 9.402,1189 1.492,1190 1.512,1191 1.524,1192 1.498,1193 1.493,1194 1.953,1195 0.063,1196 4.331,1197 1.451,1198 4.164,1199 4.191,1200 4.144,1201 4.101,1202 5.046,1203 4.105,1204 4.102,1205 4.129,1206 4.101,1207 4.036,1208 4.999,1209 4.04,1210 3.871,1211 3.898,1212 3.812,1213 3.824,1214 4.699,1215 3.818,1216 3.768,1217 3.833,1218 3.778,1219 3.664,1220 4.685,1221 3.649,1222 3.736,1223 3.78,1224 3.603,1225 3.637,1226 4.332,1227 3.619,1228 3.571,1229 3.648,1230 3.444,1231 3.418,1232 4.271,1233 3.411,1234 3.44,1235 3.492,1236 3.389,1237 3.34,1238 4.213,1239 3.329,1240 3.31,1241 3.377,1242 3.301,1243 3.183,1244 4.152,1245 3.171,1246 0.1,1247 0.074,1248 0.149,1249 0.092,1250 0.071,1251 4.722,1252 0.098,1253 3.473,1254 0.014,1255 6.982,1256 0.254,1257 4.326,1258 0.07,1259 3.341,1260 4.616,1261 0.68,1262 11.917,1263 3.29,1264 2.07,1265 2.047,1266 2.149,1267 2.158,1268 1.437,1269 2.159,1270 2.039,1271 2.017,1272 2.107,1273 2.123,1274 1.389,1275 2.119,1276 1.882,1277 1.858,1278 2.025,1279 1.954,1280 1.263,1281 1.977,1282 1.778,1283 1.716,1284 1.995,1285 1.937,1286 1.164,1287 1.963,1288 1.75,1289 1.708,1290 1.926,1291 1.863,1292 1.143,1293 1.892,1294 1.578,1295 1.518,1296 1.83,1297 1.771,1298 1.117,1299 1.795,1300 1.49,1301 1.441,1302 1.663,1303 1.619,1304 0.857,1305 1.638,1306 1.298,1307 1.24,1308 1.549,1309 1.501,1310 0.804,1311 1.523,1312 4.554,1314 5.883,1315 2.398,1316 7.426,1317 4.844,1318 9.079,1319 7.066,1320 10.794,1323 6.289,1328 13.734,1329 7.635,1340 49.869,1341 103.394,1342 263.708,1343 350.15,1344 422.752,1345 446.261,1346 450.261,1347 55.816,1348 9.57,1349 49.84,1350 49.84,1351 41,1352 13.202,1353 4.858,1354 3.907,1355 54.854,1356 264,1357 191,1358 0.099,1359 301.795,1360 515.23,1361 728.14,1362 308517,1363 1.3,1364 27.597,1365 0.673,1366 0.594,1367 28.097,1368 24.364,1369 20.259,1370 0.431,1371 0.335,1372 15.307,1373 19.694,1374 14.966,1375 12.352,1376 20.548,1377 15.725,1378 17.882,1379 0.271,1380 0.182,1381 18.29,1382 12.003,1383 15.837,1384 0.168,1385 0.096,1386 16.099,1387 9.05,1388 14.192,1389 0.106,1390 0.052,1391 14.427,1392 6.918,1393 12.46,1394 0.068,1395 0.028,1396 12.692,1397 5.228,1398 0.164,1399 126.455,1400 0.174,1401 37.468,1402 0.25,1403 226,1404 476.159,1405 249.068,1406 512.332,1407 730.37,1408 486,1409 273,1410 544.877,1411 291.585,1412 568.91,1413 847.84,1414 543,1415 8.988}
{0 CHEMBL1819177,1 1.385,2 16.548,3 10.42,4 108.581,5 176.801,6 7.637,7 0.583,8 4.443,9 4.562,10 4.048,11 4.093,12 5.407,13 4.036,14 5.02,15 5.19,16 4.447,17 4.536,18 5.934,19 4.449,20 5.334,21 5.564,22 4.545,23 4.681,24 6.183,25 4.567,26 5.345,27 5.581,28 4.508,29 4.655,30 6.207,31 4.538,32 5.342,33 5.58,34 4.425,35 4.67,36 6.128,37 4.533,38 5.401,39 5.646,40 4.428,41 4.698,42 6.166,43 4.532,44 5.421,45 5.686,46 4.333,47 4.66,48 6.144,49 4.459,50 5.336,51 5.608,52 4.152,53 4.535,54 6.066,55 4.316,56 0.063,57 1.064,58 15.688,59 7.204,60 8.312,61 9.952,62 0.144,63 1.85,64 31.195,65 13.271,66 20.789,67 18.435,68 0.318,69 2.458,70 51.022,71 18.573,72 38.383,73 25.858,74 0.503,75 2.545,76 50.402,77 17.708,78 49.178,79 24.932,80 0.33,81 2.501,82 47.608,83 18.44,84 34.369,85 25.948,86 0.387,87 2.553,88 52.995,89 20.626,90 39.03,91 28.984,92 0.356,93 2.491,94 60.218,95 22.325,96 40.941,97 30.958,98 0.438,99 2.217,100 62.672,101 21.046,102 48.546,103 28.781,104 5,105 68,106 0.209,107 0.522,108 0.684,109 0.804,110 0.838,111 0.857,112 3.764,113 1.013,114 -7.23,115 -7.02,116 -6.49,121 46.2,123 10,127 2,144 10,145 6,146 4,148 4,176 20,180 8,185 6,187 29,192 7,197 6,200 19,206 7,209 2,211 10,214 22,219 1,224 5,227 22,232 2,237 6,239 32,244 2,251 30,256 2,260 1,264 28,269 2,277 20,281 3492,282 29.275,283 29.275,284 29.275,285 29.275,286 29.275,287 25.962,288 28.335,289 17.557,290 29.767,291 23.81,292 23.81,293 23.81,294 23.81,295 23.81,296 18.641,297 33.92,298 8.455,299 24.721,300 4.9,301 2.832,302 1.76,303 0.968,304 0.744,305 0.615,306 4.494,308 2,313 1586,314 4,317 68.743,318 572.309,321 268.865,322 492.18,325 2.105,326 23.736,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.67,335 1,336 0.59,337 86.667,338 695,339 4.728,340 3.478,341 6.983,342 4.329,343 3.345,344 4.63,345 0.68,346 11.924,347 3.291,348 4.651,349 3.373,350 6.833,351 4.214,352 3.235,353 4.582,354 0.4,355 11.364,356 3.165,357 4.298,358 3.04,359 6.44,360 3.874,361 2.888,362 3.989,363 0.4,364 9.947,365 2.846,366 3.99,367 2.943,368 6.004,369 3.58,370 2.61,371 3.534,373 8.477,374 2.532,375 3.809,376 2.786,377 5.755,378 3.365,379 2.423,380 3.317,382 7.683,383 2.279,384 3.584,385 2.562,386 5.427,387 3.193,388 2.252,389 2.961,391 6.886,392 2.103,393 3.43,394 2.286,395 5.322,396 2.993,397 2.027,398 2.818,400 6.378,401 1.961,402 3.368,403 2.271,404 4.934,405 2.899,406 1.986,407 2.7,409 5.646,410 1.863,411 3.365,412 2.099,413 4.899,414 2.88,415 1.97,416 2.699,418 5.573,419 1.706,420 2.918,421 1.936,422 4.569,423 2.852,424 1.871,425 2.065,427 4.404,428 1.703,429 2.896,430 1.816,431 4.121,432 2.594,433 1.615,434 1.951,436 3.834,437 1.575,438 2.809,439 1.659,440 4.016,441 2.505,442 1.516,443 1.906,445 3.48,446 1.495,447 2.703,448 1.495,449 3.967,450 2.427,451 1.436,452 1.747,454 3.365,455 1.416,456 2.597,457 1.434,458 3.815,459 2.338,460 1.343,461 1.613,463 3.144,464 1.334,465 2.49,466 1.367,467 3.64,468 2.25,469 1.259,470 1.489,472 3.001,473 1.246,474 21.029,475 0.501,476 0.863,477 0.021,478 53.5,479 1.274,480 27,481 0.643,482 26.5,483 0.631,484 45.429,485 1.082,486 43.171,487 0.553,488 38.274,489 0.911,490 9.37,491 0.223,492 11.283,493 0.269,494 0.068,496 0.333,501 0.719,502 1.107,503 0.643,504 0.878,505 0.632,506 0.871,507 0.758,508 1.177,509 0.71,510 0.961,511 0.596,512 0.959,513 0.978,514 1.083,515 0.832,516 0.91,517 0.849,518 0.885,519 1.002,520 1.024,521 0.817,522 0.918,523 0.842,524 0.941,525 0.921,526 1.009,527 0.766,528 0.926,529 0.805,530 0.989,531 0.695,532 1.038,533 0.807,534 1.033,535 0.729,536 1.075,537 0.868,538 0.977,539 0.986,540 1.039,541 0.945,542 1.066,543 1.15,544 0.899,545 1.306,546 1.11,547 1.252,548 1.096,549 6,550 0.143,551 4.222,552 3.139,553 2.697,554 1.316,555 0.898,556 0.524,557 0.308,558 0.213,559 38281,560 88342,561 2.215,562 46.2,563 14,564 14,567 2,568 2,569 4,572 1.805,573 2.136,574 3.88,575 0.031,582 108.027,583 1.385,584 3.454,585 4.525,586 5.317,587 5.542,588 5.67,589 3.134,590 5.154,591 5.375,592 4.165,593 3586.19,594 9.452,595 70692.1,600 490.261,601 1.166,602 5.35,603 0.125,604 0.004,605 0.062,606 0.043,607 0.04,608 0.021,609 0.015,610 0.011,611 0.008,612 0.006,613 0.335,614 0.33,615 0.63,616 0.338,617 246.246,618 -0.017,620 0.029,621 0.041,622 0.034,623 0.053,624 0.008,625 -0.112,626 0.028,627 -0.027,628 0.131,629 -0.015,631 -0.053,632 0.053,633 0.045,634 0.073,635 0.079,636 0.059,637 0.054,638 0.006,639 0.004,640 0.077,641 -0.002,642 -0.094,643 0.033,644 -0.02,645 0.008,646 -0.065,647 -0.032,648 0.054,649 -0.049,651 -0.066,652 0.012,653 -0.09,654 -0.028,655 -0.043,656 -0.01,657 -0.03,658 -0.056,659 -0.051,660 -0.082,661 0.011,662 -0.12,663 -0.069,664 -0.131,665 -0.067,666 0.942,667 2.234,668 0.738,669 47.088,670 0.988,671 1.115,672 6.002,673 36.024,674 0.701,675 3.892,676 4.234,677 4.575,678 4.927,679 5.247,680 5.412,681 5.602,682 5.775,683 5.838,684 5.817,685 10.226,686 0.65,687 595.66,688 3.892,689 5.451,690 6.33,691 7.232,692 8.134,693 9.049,694 9.962,695 10.884,696 11.803,697 12.728,698 5.1,703 2,708 2,714 4,715 10,716 2,720 10,722 28,734 2,740 2,741 78,743 28,744 3,745 48,747 84,748 36,749 24,750 8,751 10,756 7,757 16,758 2,767 5,770 10,772 24,773 12,793 36,794 4,795 2,796 6,797 2,802 4,808 0.286,822 2,828 1,829 6,832 2,833 3,859 2,865 2,868 42,876 12,877 2,892 2,901 19.667,902 14.019,903 9.111,904 5.41,907 5.904,908 1.613,909 1.05,910 8.144,911 15.532,912 4.143,913 4.8,914 5.471,915 6.151,916 6.814,917 7.238,918 7.716,919 8.185,920 8.557,921 8.741,922 1,923 73,924 15.583,926 6.748,927 0.026,929 7.418,931 31.119,933 27.073,936 1.918,937 80.556,941 400.217,942 164.524,943 69.593,944 78.297,948 164.524,949 478.515,950 69.593,952 29.557,953 94.762,954 69.593,955 40.205,957 400.217,958 78.297,959 400.217,960 234.116,962 78.297,964 353.133,965 47.084,968 39.358,969 125.165,970 147.89,972 400.217,973 69.593,974 242.821,977 400.217,978 69.761,979 94.762,980 36.022,981 111.868,982 400.217,983 69.593,984 242.821,986 0.577,987 0.342,988 0.202,989 0.121,990 35,991 14,992 0.119,993 10,994 5,995 1.323,996 5.328,997 437.418,998 0.323,999 31,1000 222.477,1005 27.798,1006 12.305,1007 5.694,1008 4.328,1009 69.593,1010 20.801,1011 9.987,1015 11.667,1017 36.022,1018 712.631,1019 62,1031 77.076,1032 86.94,1034 0.22,1035 0.549,1036 0.72,1037 0.846,1038 0.882,1039 0.902,1040 5.394,1041 1.986,1042 6.308,1043 6.378,1044 4.92,1045 5.489,1046 0.942,1047 7.16,1048 4.851,1049 6.606,1050 1.97,1051 7.88,1052 5.646,1053 4.443,1054 5.38,1056 8.127,1057 4.307,1058 7.93,1059 1.871,1060 9.559,1061 5.573,1062 6.535,1063 7.788,1064 0.425,1065 11.308,1066 6.421,1067 9.297,1068 1.615,1069 11.305,1070 4.404,1071 6.938,1072 8.547,1074 13.156,1075 6.787,1076 10.702,1077 1.516,1078 13.094,1079 3.834,1080 8.466,1081 10.421,1082 0.194,1083 15.849,1084 8.321,1085 12.134,1086 1.436,1087 14.914,1088 3.48,1089 9.295,1090 11.583,1092 18.052,1093 9.128,1094 13.587,1095 1.343,1096 16.755,1097 3.365,1098 10.599,1099 13.245,1100 0.09,1101 20.584,1102 10.428,1103 3.345,1104 1.259,1105 18.614,1106 3.144,1107 11.627,1108 14.598,1110 22.931,1111 11.439,1112 3.235,1113 11.924,1114 20.484,1115 3.001,1116 12.847,1117 16.172,1118 0.042,1119 25.41,1120 12.648,1121 2.888,1122 11.364,1123 22.365,1124 4.63,1125 13.963,1126 17.615,1128 27.818,1129 13.748,1130 2.61,1131 9.947,1132 24.254,1133 4.582,1134 15.156,1135 19.155,1136 0.019,1137 30.28,1138 14.927,1139 2.423,1140 8.477,1141 26.149,1142 3.989,1143 16.311,1144 20.639,1146 32.715,1147 16.066,1148 2.252,1149 7.683,1150 28.049,1151 3.534,1152 17.496,1153 22.167,1154 0.009,1155 35.172,1156 17.236,1157 2.027,1158 6.886,1159 29.955,1160 3.317,1161 18.67,1162 23.671,1164 37.621,1165 18.392,1166 34133,1167 52112,1168 33.402,1169 54.682,1170 71.781,1171 73.032,1172 73.546,1173 72.254,1174 71.848,1175 93.63,1176 2.96,1177 209.847,1178 69.025,1179 5.691,1180 5.478,1181 6.891,1182 5.375,1183 5.345,1184 7.63,1185 1.36,1186 19.618,1187 5.291,1188 13.419,1189 1.495,1190 1.522,1191 1.532,1192 1.505,1193 1.497,1194 1.951,1195 0.062,1196 4.372,1197 1.438,1198 4.165,1199 4.19,1200 4.166,1201 4.104,1202 5.067,1203 4.107,1204 4.102,1205 4.129,1206 4.114,1207 4.037,1208 5.026,1209 4.04,1210 3.874,1211 3.898,1212 3.899,1213 3.832,1214 4.792,1215 3.825,1216 3.768,1217 3.833,1218 3.778,1219 3.664,1220 4.685,1221 3.649,1222 3.736,1223 3.78,1224 3.629,1225 3.638,1226 4.562,1227 3.62,1228 3.573,1229 3.647,1230 3.568,1231 3.427,1232 4.279,1233 3.42,1234 3.446,1235 3.491,1236 3.426,1237 3.347,1238 4.217,1239 3.335,1240 3.31,1241 3.377,1242 3.331,1243 3.183,1244 4.152,1245 3.171,1246 0.098,1247 0.072,1248 0.145,1249 0.09,1250 0.07,1251 4.728,1252 0.096,1253 3.478,1254 0.014,1255 6.983,1256 0.248,1257 4.329,1258 0.069,1259 3.345,1260 4.63,1261 0.68,1262 11.924,1263 3.291,1264 2.07,1265 2.047,1266 2.149,1267 2.158,1268 1.437,1269 2.159,1270 2.037,1271 2.017,1272 2.088,1273 2.116,1274 1.389,1275 2.111,1276 1.882,1277 1.858,1278 2.022,1279 1.954,1280 1.264,1281 1.976,1282 1.778,1283 1.717,1284 1.994,1285 1.936,1286 1.164,1287 1.963,1288 1.75,1289 1.708,1290 1.926,1291 1.863,1292 1.143,1293 1.892,1294 1.575,1295 1.518,1296 1.826,1297 1.769,1298 1.117,1299 1.793,1300 1.486,1301 1.441,1302 1.634,1303 1.604,1304 0.851,1305 1.622,1306 1.298,1307 1.24,1308 1.548,1309 1.499,1310 0.804,1311 1.521,1312 4.575,1314 5.911,1315 2.398,1316 7.455,1317 4.844,1318 9.109,1319 7.066,1320 10.824,1323 12.634,1328 13.534,1329 7.606,1340 50.696,1341 108.027,1342 269.377,1343 352.984,1344 414.752,1345 432.261,1346 442.261,1347 60.228,1348 9.628,1349 49.84,1350 49.84,1351 41,1352 13.235,1353 4.858,1354 3.907,1355 56.791,1356 273,1357 202,1358 0.099,1359 310.128,1360 530.44,1361 748.472,1362 327632,1363 2.6,1364 28.468,1365 0.678,1366 0.605,1367 29.468,1368 25.421,1369 20.653,1370 0.43,1371 0.338,1372 15.437,1373 19.779,1374 15.06,1375 12.401,1376 21.23,1377 16.203,1378 18.516,1379 0.272,1380 0.185,1381 19.332,1382 12.584,1383 16.172,1384 0.168,1385 0.097,1386 16.697,1387 9.341,1388 14.456,1389 0.106,1390 0.052,1391 14.926,1392 7.111,1393 12.679,1394 0.067,1395 0.029,1396 13.142,1397 5.391,1398 0.164,1399 131.994,1400 0.173,1401 38.151,1402 0.251,1403 232,1404 510.363,1405 270.588,1406 574.489,1407 801.74,1408 542,1409 280,1410 571.74,1411 308.343,1412 605.559,1413 901.42,1414 577,1415 7.917}
{0 CHEMBL1819178,1 1.392,2 18.564,3 9.766,4 95.381,5 159.756,6 7.286,7 0.614,8 4.386,9 4.497,10 3.949,11 4.003,12 5.366,13 3.954,14 4.953,15 5.116,16 4.31,17 4.414,18 5.884,19 4.336,20 5.25,21 5.479,22 4.358,23 4.529,24 6.101,25 4.419,26 5.228,27 5.458,28 4.27,29 4.48,30 6.075,31 4.359,32 5.196,33 5.438,34 4.165,35 4.469,36 5.966,37 4.325,38 5.213,39 5.46,40 4.146,41 4.472,42 5.976,43 4.303,44 5.225,45 5.491,46 4.027,47 4.41,48 5.94,49 4.215,50 5.121,51 5.395,52 3.862,53 4.262,54 5.836,55 4.06,56 0.054,57 0.961,58 15.641,59 7.282,60 8.597,61 9.673,62 0.156,63 1.648,64 30.105,65 12.869,66 22.61,67 17.214,68 0.354,69 2.151,70 45.956,71 17.234,72 41.681,73 23.4,74 0.458,75 2.133,76 44.598,77 16.302,78 45.336,79 22.256,80 0.331,81 2.074,82 41.929,83 16.373,84 32.939,85 22.679,86 0.404,87 2.058,88 43.656,89 17.445,90 36.378,91 24.34,92 0.314,93 2.016,94 47.929,95 18.159,96 35.491,97 25.044,98 0.409,99 1.773,100 46.644,101 16.362,102 39.613,103 22.393,104 2,105 60,106 0.213,107 0.521,108 0.696,109 0.852,110 0.889,111 0.889,112 3.692,113 1.002,114 -6.77,115 -6.58,116 -6.1,121 45.9,123 9,127 2,144 12,145 4,146 3,148 2,154 2,176 19,180 11,185 3,187 23,192 10,197 3,200 17,206 8,209 1,211 5,214 19,219 1,224 2,227 22,231 1,232 3,237 2,239 27,244 2,251 21,256 4,259 1,264 17,269 4,277 13,281 3143,282 27.275,283 27.275,284 27.275,285 27.275,286 27.275,287 24.165,288 18.775,289 16.604,290 27.66,291 21.828,292 21.828,293 21.828,294 21.828,295 21.828,296 17.038,297 18.863,298 8.009,299 22.506,300 4.818,301 2.808,302 1.663,303 0.642,304 0.405,305 0.405,306 4.415,308 1,313 1637,314 3.808,317 100.772,318 580.544,321 193.425,322 358.044,325 2.771,326 21.604,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.49,337 81.333,338 724,339 4.651,340 3.373,341 6.833,342 4.214,343 3.235,344 4.582,345 0.86,346 11.364,347 3.165,348 4.508,349 3.07,350 6.372,351 4.06,352 3.06,353 4.437,354 0.4,355 9.883,356 3.059,357 4.072,358 2.943,359 6.004,360 3.639,361 2.656,362 3.703,364 8.477,365 2.618,366 3.99,367 2.872,368 5.908,369 3.58,370 2.61,371 3.534,373 8.256,374 2.532,375 3.665,376 2.562,377 5.427,378 3.287,379 2.336,380 3.051,382 6.886,383 2.211,384 3.584,385 2.504,386 5.316,387 3.192,388 2.252,389 2.961,391 6.865,392 2.103,393 3.365,394 2.271,395 4.899,396 2.896,397 1.986,398 2.699,400 5.573,401 1.86,402 3.032,403 1.927,404 4.414,405 2.851,406 1.869,407 2.298,409 4.312,410 1.703,411 3.032,412 1.773,413 4.3,414 2.58,415 1.604,416 2.277,418 3.987,419 1.562,420 2.893,421 1.585,422 4.121,423 2.532,424 1.532,425 1.906,427 3.791,428 1.532,429 2.707,430 1.532,431 3.98,432 2.503,433 1.514,434 1.767,436 3.422,437 1.494,438 2.657,439 1.486,440 3.837,441 2.424,442 1.433,443 1.714,445 3.301,446 1.414,447 2.539,448 1.434,449 3.622,450 2.25,451 1.258,452 1.543,454 3.042,455 1.246,456 2.5,457 1.354,458 3.591,459 2.206,460 1.23,461 1.5,463 2.845,464 1.196,465 2.487,466 1.183,467 3.511,468 2.086,469 1.111,470 1.486,472 2.569,473 1.078,474 19.181,475 0.492,476 0.688,477 0.018,478 49.25,479 1.263,480 25,481 0.641,482 24.25,483 0.622,484 38.339,485 0.983,486 40.819,487 0.552,488 34.068,489 0.874,490 8.878,491 0.228,492 10.364,493 0.266,494 0.037,496 0.287,501 0.792,502 1.117,503 0.715,504 0.979,505 0.712,506 0.926,507 0.979,508 1.185,509 0.817,510 1.053,511 0.737,512 1.015,513 1.167,514 1.014,515 0.885,516 0.913,517 0.946,518 0.893,519 1.239,520 1.007,521 0.937,522 0.949,523 1.064,524 0.975,525 0.958,526 0.977,527 0.882,528 0.941,529 0.923,530 0.999,531 0.573,532 1.037,533 0.886,534 1.048,535 0.711,536 1.081,537 0.833,538 1.011,539 1.064,540 1.065,541 0.992,542 1.069,543 1.038,544 0.895,545 1.257,546 1.033,547 1.168,548 1.024,549 5.5,550 0.106,551 3.556,552 2.042,553 2.001,554 0.927,555 0.536,556 0.367,557 0.242,558 0.152,559 34865,560 78493,561 2.203,562 47.3,563 12,564 16,567 1,568 2,569 4,572 1.782,573 2.147,574 4.07,575 -0.485,582 103.001,583 1.392,584 3.401,585 4.546,586 5.567,587 5.804,588 5.804,589 3.435,590 4.721,591 5.264,592 4.358,593 3229.46,594 9.205,595 63469.2,600 459.5,601 1.018,602 5.251,603 0.125,604 0.004,605 0.059,606 0.033,607 0.037,608 0.019,609 0.012,610 0.01,611 0.008,612 0.005,613 0.312,614 0.33,615 0.5,616 0.271,617 228.291,618 0.007,619 -0.025,620 0.046,621 0.004,622 0.045,623 0.035,624 -0.009,625 -0.134,626 0.007,627 -0.08,628 0.13,629 -0.053,630 -0.041,632 0.055,633 0.053,634 0.081,635 0.075,636 -0.059,637 0.033,638 -0.033,639 -0.003,640 -0.023,641 -0.024,642 -0.096,643 0.049,644 -0.04,645 0.015,646 -0.103,647 -0.027,648 0.128,649 -0.053,650 -0.008,651 -0.067,652 0.055,653 -0.085,654 -0.017,655 -0.066,656 -0.033,657 -0.063,658 -0.079,659 -0.058,660 -0.016,661 0.037,662 -0.075,663 -0.02,664 -0.081,665 -0.013,666 0.916,667 2.485,668 0.744,669 51.353,670 0.989,671 1.114,672 5.541,673 30.7,674 0.685,675 3.807,676 4.111,677 4.407,678 4.7,679 4.97,680 5.063,681 5.182,682 5.303,683 5.342,684 5.268,685 11.131,686 0.639,687 539.16,688 3.807,689 5.342,690 6.196,691 7.071,692 7.945,693 8.83,694 9.714,695 10.605,696 11.494,697 12.389,698 2.7,703 1,708 1,714 4,715 12,716 1,718 1,720 7,722 27,734 1,739 1,740 1,741 74,743 27,744 3,745 44,747 79,748 34,749 23,750 7,751 11,756 6,757 10,758 1,767 4,770 9,772 23,773 11,792 1,793 35,794 4,795 1,796 5,797 1,802 2,808 0.5,809 2,822 1,828 1,829 5,832 1,833 2,859 3,865 1,868 39,876 11,877 1,878 1,892 1,893 2.7,898 2,901 18.167,902 13.176,903 8.583,904 5.073,907 5.359,908 1.598,909 1.025,910 8.367,911 14.314,912 4.069,913 4.694,914 5.338,915 5.983,916 6.584,917 6.948,918 7.356,919 7.77,920 8.034,921 8.142,922 0.917,923 61,924 14.46,926 6.147,927 0.026,929 7.434,931 28.759,933 24.399,936 1.934,937 75.444,941 400.217,942 181.428,943 34.796,944 39.149,945 20.507,948 181.428,949 459.873,950 34.796,952 29.509,953 113.715,954 34.796,955 48.426,956 10.285,957 400.217,958 39.149,959 400.217,960 216.224,961 20.507,962 39.149,964 353.133,965 67.592,968 34.41,969 147.018,970 73.945,972 400.217,973 55.304,974 220.576,977 400.217,978 67.713,979 113.715,980 18.011,981 76.441,982 400.217,983 55.304,984 220.576,986 0.57,987 0.332,988 0.188,989 0.108,990 29,991 11,992 0.139,993 11,994 3,995 1.207,996 5.311,997 367.89,998 0.207,999 29,1000 200.131,1005 26.222,1006 12.445,1007 6.26,1008 4.245,1009 55.304,1010 24.47,1011 4.931,1013 5.967,1015 7.566,1017 18.011,1018 676.097,1019 57.5,1031 73.203,1032 82.418,1034 0.224,1035 0.548,1036 0.732,1037 0.897,1038 0.935,1039 0.935,1040 5.292,1041 1.869,1042 6.151,1043 5.573,1044 4.796,1045 5.382,1046 1.029,1047 6.944,1048 4.741,1049 6.485,1050 1.604,1051 7.687,1052 4.312,1053 4.205,1054 5.173,1056 7.796,1057 4.101,1058 7.788,1059 1.532,1060 9.328,1061 3.987,1062 6.358,1063 7.649,1064 0.763,1065 10.94,1066 6.264,1067 9.134,1068 1.514,1069 11.035,1070 3.791,1071 6.661,1072 8.343,1074 12.69,1075 6.539,1076 10.518,1077 1.433,1078 12.787,1079 3.422,1080 8.217,1081 10.249,1082 0.597,1083 15.33,1084 8.097,1085 11.93,1086 1.258,1087 14.571,1088 3.301,1089 8.958,1090 11.365,1092 17.448,1093 8.823,1094 13.363,1095 1.23,1096 16.376,1097 3.042,1098 10.263,1099 13.037,1100 0.47,1101 19.926,1102 10.124,1103 3.235,1104 1.111,1105 18.199,1106 2.845,1107 11.22,1108 14.358,1110 22.203,1111 11.068,1112 3.06,1113 11.364,1114 20.035,1115 2.569,1116 12.422,1117 15.93,1118 0.367,1119 24.629,1120 12.262,1121 2.656,1122 9.883,1123 21.882,1124 4.582,1125 13.482,1126 17.349,1128 26.979,1129 13.308,1130 2.61,1131 8.477,1132 23.736,1133 4.437,1134 14.646,1135 18.88,1136 0.283,1137 29.392,1138 14.46,1139 2.336,1140 8.256,1141 25.599,1142 3.703,1143 15.754,1144 20.345,1146 31.775,1147 15.554,1148 2.252,1149 6.886,1150 27.467,1151 3.534,1152 16.906,1153 21.86,1154 0.217,1155 34.188,1156 16.692,1157 1.986,1158 6.865,1159 29.34,1160 3.051,1161 18.038,1162 23.348,1164 36.589,1165 17.808,1166 31261,1167 47138,1168 30.8,1169 50.722,1170 64.967,1171 65.661,1172 65.817,1173 65.102,1174 64.877,1175 85.433,1176 2.52,1177 181.77,1178 62.899,1179 5.612,1180 5.373,1181 6.742,1182 5.266,1183 5.235,1184 7.582,1185 1.72,1186 18.902,1187 5.165,1188 9.155,1189 1.477,1190 1.492,1191 1.496,1192 1.48,1193 1.474,1194 1.942,1195 0.057,1196 4.131,1197 1.43,1198 4.139,1199 4.158,1200 4.133,1201 4.06,1202 5.148,1203 4.065,1204 4.095,1205 4.109,1206 4.077,1207 4.016,1208 5.035,1209 4.024,1210 3.864,1211 3.889,1212 3.801,1213 3.79,1214 4.815,1215 3.788,1216 3.756,1217 3.815,1218 3.777,1219 3.663,1220 4.685,1221 3.648,1222 3.735,1223 3.78,1224 3.593,1225 3.631,1226 4.425,1227 3.613,1228 3.542,1229 3.612,1230 3.429,1231 3.376,1232 4.271,1233 3.367,1234 3.356,1235 3.394,1236 3.342,1237 3.228,1238 4.232,1239 3.231,1240 3.291,1241 3.341,1242 3.249,1243 3.174,1244 4.155,1245 3.161,1246 0.106,1247 0.077,1248 0.155,1249 0.096,1250 0.074,1251 4.651,1252 0.104,1253 3.373,1254 0.02,1255 6.833,1256 0.258,1257 4.214,1258 0.072,1259 3.235,1260 4.582,1261 0.86,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.149,1267 2.158,1268 1.437,1269 2.159,1270 1.925,1271 1.905,1272 2.036,1273 2.003,1274 1.383,1275 2.01,1276 1.892,1277 1.876,1278 2.018,1279 1.992,1280 1.167,1281 1.997,1282 1.772,1283 1.713,1284 1.984,1285 1.929,1286 1.137,1287 1.957,1288 1.75,1289 1.707,1290 1.926,1291 1.863,1292 1.115,1293 1.892,1294 1.542,1295 1.477,1296 1.811,1297 1.747,1298 1.066,1299 1.771,1300 1.342,1301 1.323,1302 1.544,1303 1.539,1304 0.794,1305 1.535,1306 1.278,1307 1.229,1308 1.461,1309 1.459,1310 0.747,1311 1.463,1312 4.489,1314 5.796,1315 2.398,1316 7.305,1317 4.727,1318 8.914,1319 6.843,1320 10.58,1323 6.256,1328 12.255,1329 3.768,1330 5.985,1340 47.255,1341 103.001,1342 251.701,1343 336.422,1344 411.99,1345 429.5,1346 429.5,1347 55.982,1348 8.955,1349 47.29,1350 47.29,1351 35,1352 12.916,1353 4.807,1354 3.858,1355 56.014,1356 273,1357 211,1358 0.096,1359 287.335,1360 491.21,1361 692.857,1362 153922,1363 1.4,1364 26.443,1365 0.678,1366 0.592,1367 26.943,1368 23.104,1369 19.242,1370 0.437,1371 0.334,1372 14.245,1373 18.55,1374 13.945,1375 11.521,1376 19.531,1377 14.69,1378 16.819,1379 0.28,1380 0.182,1381 17.227,1382 10.933,1383 14.462,1384 0.179,1385 0.098,1386 14.724,1387 7.916,1388 12.393,1389 0.114,1390 0.053,1391 12.628,1392 5.767,1393 10.483,1394 0.073,1395 0.03,1396 10.714,1397 4.233,1398 0.163,1399 121.216,1400 0.18,1401 36.796,1402 0.234,1403 208,1404 497.652,1405 235.044,1406 517.14,1407 724.53,1408 490,1409 245,1410 532.097,1411 267.062,1412 548.125,1413 809.54,1414 522,1415 6.509}
{0 CHEMBL1819179,1 1.392,2 17.795,3 9.766,4 95.381,5 159.756,6 7.286,7 0.614,8 4.386,9 4.497,10 3.949,11 4.003,12 5.366,13 3.954,14 4.953,15 5.116,16 4.31,17 4.414,18 5.884,19 4.336,20 5.25,21 5.479,22 4.358,23 4.529,24 6.099,25 4.419,26 5.228,27 5.458,28 4.286,29 4.48,30 6.075,31 4.364,32 5.202,33 5.437,34 4.206,35 4.477,36 5.998,37 4.341,38 5.227,39 5.467,40 4.18,41 4.494,42 5.993,43 4.334,44 5.262,45 5.526,46 4.068,47 4.451,48 5.982,49 4.259,50 5.169,51 5.439,52 3.914,53 4.315,54 5.895,55 4.118,56 0.054,57 0.961,58 15.641,59 7.282,60 8.597,61 9.673,62 0.156,63 1.648,64 30.105,65 12.869,66 22.722,67 17.214,68 0.354,69 2.151,70 45.956,71 17.234,72 41.171,73 23.4,74 0.447,75 2.133,76 44.572,77 16.302,78 44.412,79 22.26,80 0.442,81 2.077,82 42.132,83 16.337,84 37.459,85 22.539,86 0.323,87 2.086,88 44,89 17.593,90 33.489,91 24.291,92 0.334,93 2.092,94 49.508,95 18.807,96 37.91,97 25.881,98 0.444,99 1.86,100 48.534,101 17.084,102 42.279,103 23.254,104 2,105 60,106 0.213,107 0.521,108 0.699,109 0.863,110 0.905,111 0.905,112 3.692,113 1.002,114 -6.77,115 -6.58,116 -6.1,121 45.9,123 9,127 2,144 12,145 4,146 3,148 2,154 2,176 19,180 11,185 3,187 23,192 10,197 3,200 17,206 7,209 1,211 5,214 18,218 1,219 3,224 2,227 22,232 3,237 2,239 26,244 4,251 22,256 4,259 1,264 20,269 2,277 15,281 3062,282 27.275,283 27.275,284 27.275,285 27.275,286 27.275,287 24.165,288 18.775,289 16.645,290 27.66,291 21.845,292 21.845,293 21.845,294 21.845,295 21.845,296 17.044,297 18.863,298 8.036,299 22.521,300 4.818,301 2.808,302 1.646,303 0.571,304 0.297,305 0.297,306 4.415,308 1,313 1568,314 3.808,317 91.49,318 561.553,321 176.95,322 348.218,325 2.509,326 21.846,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.49,337 81.333,338 694,339 4.651,340 3.373,341 6.833,342 4.214,343 3.235,344 4.582,345 0.86,346 11.364,347 3.165,348 4.512,349 3.087,350 6.379,351 4.065,352 3.066,353 4.439,354 0.4,355 9.913,356 3.062,357 4.097,358 2.943,359 6.004,360 3.664,361 2.682,362 3.735,364 8.477,365 2.638,366 3.99,367 2.874,368 5.935,369 3.58,370 2.61,371 3.534,373 8.398,374 2.532,375 3.594,376 2.562,377 5.427,378 3.219,379 2.266,380 2.962,382 6.886,383 2.149,384 3.584,385 2.458,386 5.286,387 3.192,388 2.252,389 2.961,391 6.719,392 2.103,393 3.365,394 2.271,395 4.899,396 2.896,397 1.986,398 2.699,400 5.573,401 1.86,402 3.032,403 1.924,404 4.414,405 2.851,406 1.868,407 2.298,409 4.312,410 1.703,411 3.022,412 1.773,413 4.256,414 2.584,415 1.61,416 2.254,418 3.92,419 1.563,420 2.893,421 1.59,422 4.121,423 2.532,424 1.532,425 1.929,427 3.768,428 1.532,429 2.775,430 1.532,431 3.98,432 2.493,433 1.504,434 1.868,436 3.419,437 1.484,438 2.681,439 1.477,440 3.835,441 2.424,442 1.432,443 1.729,445 3.296,446 1.414,447 2.541,448 1.434,449 3.623,450 2.291,451 1.306,452 1.545,454 3.042,455 1.283,456 2.5,457 1.368,458 3.593,459 2.249,460 1.256,461 1.5,463 2.877,464 1.246,465 2.487,466 1.253,467 3.519,468 2.096,469 1.13,470 1.486,472 2.57,473 1.085,474 19.181,475 0.492,476 0.688,477 0.018,478 49.25,479 1.263,480 25,481 0.641,482 24.25,483 0.622,484 38.634,485 0.991,486 40.819,487 0.552,488 34.33,489 0.88,490 8.878,491 0.228,492 10.364,493 0.266,494 0.037,496 0.287,501 0.792,502 1.117,503 0.715,504 0.979,505 0.712,506 0.926,507 0.979,508 1.185,509 0.817,510 1.053,511 0.735,512 1.015,513 1.167,514 1.014,515 0.885,516 0.913,517 0.961,518 0.893,519 1.219,520 1.008,521 0.917,522 0.946,523 1.035,524 0.962,525 0.957,526 0.966,527 0.875,528 0.93,529 0.89,530 0.988,531 0.787,532 1.056,533 0.913,534 1.064,535 0.851,536 1.092,537 0.869,538 1.004,539 1.061,540 1.057,541 0.983,542 1.066,543 1.133,544 0.898,545 1.261,546 1.031,547 1.214,548 1.033,549 5.5,550 0.106,551 3.333,552 2.167,553 2.081,554 0.816,555 0.625,556 0.348,557 0.223,558 0.152,559 33677,560 75841,561 2.203,562 47.3,563 12,564 16,567 1,568 2,569 4,572 1.783,573 2.147,574 4.025,575 -0.485,582 103.001,583 1.392,584 3.401,585 4.563,586 5.638,587 5.912,588 5.912,589 3.403,590 4.773,591 5.266,592 4.295,593 3182.81,594 9.216,595 61557,600 459.5,601 1.018,602 5.251,603 0.125,604 0.004,605 0.056,606 0.036,607 0.038,608 0.016,609 0.013,610 0.009,611 0.007,612 0.005,613 0.307,614 0.33,615 0.5,616 0.271,617 227.089,618 0.007,619 -0.025,620 0.046,621 0.004,622 0.045,623 0.035,624 -0.009,625 -0.134,626 0.007,627 -0.08,628 0.132,629 -0.053,630 -0.041,632 0.055,633 0.053,634 0.066,635 0.075,636 -0.039,637 0.033,638 -0.012,640 0.001,641 -0.011,642 0.005,643 0.061,644 -0.029,645 0.024,646 -0.025,647 -0.022,649 -0.069,650 -0.035,651 -0.085,652 -0.044,653 -0.101,654 -0.029,655 -0.058,656 -0.038,657 -0.057,658 -0.067,659 -0.058,660 -0.047,661 0.036,662 -0.096,663 -0.021,664 -0.105,665 -0.027,666 0.917,667 2.561,668 0.744,669 46.988,670 0.989,671 1.114,672 5.541,673 30.7,674 0.685,675 3.807,676 4.111,677 4.407,678 4.71,679 4.977,680 5.063,681 5.193,682 5.313,683 5.333,684 5.268,685 10.719,686 0.639,687 539.16,688 3.807,689 5.342,690 6.196,691 7.072,692 7.947,693 8.834,694 9.718,695 10.611,696 11.501,697 12.397,698 2.7,703 1,708 1,714 4,715 12,716 1,718 1,720 7,722 27,734 1,739 1,740 1,741 74,743 27,744 3,745 44,747 79,748 34,749 23,750 7,751 11,756 6,757 10,758 1,767 4,770 9,772 23,773 11,792 1,793 35,794 4,795 1,796 5,797 1,802 2,808 0.5,809 2,822 1,828 1,829 5,832 1,833 2,859 3,865 1,868 39,876 11,877 1,878 1,892 1,893 2.7,898 2,901 18.167,902 13.176,903 8.583,904 5.073,907 5.436,908 1.607,909 1.025,910 8.367,911 14.391,912 4.069,913 4.694,914 5.338,915 5.988,916 6.587,917 6.945,918 7.364,919 7.775,920 8.016,921 8.141,922 1,923 61,924 14.462,926 6.149,927 0.026,929 7.434,931 28.759,933 24.399,936 1.934,937 75.444,941 400.217,942 181.428,943 34.796,944 39.149,945 20.507,948 181.428,949 459.873,950 34.796,952 29.509,953 113.715,954 34.796,955 48.426,956 10.285,957 400.217,958 39.149,959 400.217,960 216.224,961 20.507,962 39.149,964 353.133,965 67.592,968 34.41,969 147.018,970 73.945,972 400.217,973 55.304,974 220.576,977 400.217,978 67.713,979 113.715,980 18.011,981 76.441,982 400.217,983 55.304,984 220.576,986 0.569,987 0.331,988 0.19,989 0.11,990 29,991 11,992 0.139,993 11,994 3,995 1.207,996 5.265,997 371.203,998 0.207,999 29,1000 204.131,1005 26.222,1006 12.445,1007 6.26,1008 4.232,1009 55.304,1010 24.466,1011 4.933,1013 6.011,1015 7.511,1017 18.011,1018 676.097,1019 57.5,1031 73.203,1032 82.418,1034 0.224,1035 0.548,1036 0.735,1037 0.908,1038 0.952,1039 0.952,1040 5.292,1041 1.868,1042 6.151,1043 5.573,1044 4.796,1045 5.382,1046 1.029,1047 6.946,1048 4.741,1049 6.485,1050 1.61,1051 7.687,1052 4.312,1053 4.205,1054 5.173,1056 7.796,1057 4.101,1058 7.788,1059 1.532,1060 9.328,1061 3.92,1062 6.358,1063 7.649,1064 0.763,1065 10.947,1066 6.264,1067 9.134,1068 1.504,1069 11.036,1070 3.768,1071 6.661,1072 8.343,1074 12.696,1075 6.539,1076 10.518,1077 1.432,1078 12.789,1079 3.419,1080 8.219,1081 10.25,1082 0.597,1083 15.341,1084 8.099,1085 11.93,1086 1.306,1087 14.573,1088 3.296,1089 8.962,1090 11.368,1092 17.458,1093 8.826,1094 13.364,1095 1.256,1096 16.38,1097 3.042,1098 10.268,1099 13.04,1100 0.47,1101 19.937,1102 10.128,1103 3.235,1104 1.13,1105 18.203,1106 2.877,1107 11.227,1108 14.362,1110 22.213,1111 11.074,1112 3.066,1113 11.364,1114 20.04,1115 2.57,1116 12.43,1117 15.934,1118 0.367,1119 24.64,1120 12.268,1121 2.682,1122 9.913,1123 21.887,1124 4.582,1125 13.491,1126 17.354,1128 26.988,1129 13.316,1130 2.61,1131 8.477,1132 23.743,1133 4.439,1134 14.656,1135 18.885,1136 0.283,1137 29.401,1138 14.469,1139 2.266,1140 8.398,1141 25.605,1142 3.735,1143 15.765,1144 20.35,1146 31.784,1147 15.563,1148 2.252,1149 6.886,1150 27.474,1151 3.534,1152 16.918,1153 21.865,1154 0.217,1155 34.195,1156 16.702,1157 1.986,1158 6.719,1159 29.347,1160 2.962,1161 18.05,1162 23.353,1164 36.596,1165 17.818,1166 30247,1167 45620,1168 30.8,1169 50.722,1170 64.982,1171 65.701,1172 65.757,1173 65.116,1174 64.896,1175 85.455,1176 2.52,1177 181.828,1178 62.918,1179 5.612,1180 5.373,1181 6.742,1182 5.267,1183 5.235,1184 7.582,1185 1.72,1186 18.902,1187 5.165,1188 9.132,1189 1.477,1190 1.493,1191 1.494,1192 1.48,1193 1.475,1194 1.942,1195 0.057,1196 4.132,1197 1.43,1198 4.139,1199 4.159,1200 4.133,1201 4.06,1202 5.149,1203 4.065,1204 4.095,1205 4.109,1206 4.077,1207 4.016,1208 5.035,1209 4.024,1210 3.863,1211 3.888,1212 3.8,1213 3.79,1214 4.811,1215 3.788,1216 3.756,1217 3.815,1218 3.777,1219 3.663,1220 4.685,1221 3.648,1222 3.735,1223 3.78,1224 3.593,1225 3.631,1226 4.418,1227 3.612,1228 3.541,1229 3.612,1230 3.428,1231 3.375,1232 4.287,1233 3.365,1234 3.351,1235 3.388,1236 3.337,1237 3.227,1238 4.244,1239 3.23,1240 3.298,1241 3.349,1242 3.25,1243 3.177,1244 4.155,1245 3.165,1246 0.106,1247 0.077,1248 0.155,1249 0.096,1250 0.074,1251 4.651,1252 0.104,1253 3.373,1254 0.02,1255 6.833,1256 0.258,1257 4.214,1258 0.072,1259 3.235,1260 4.582,1261 0.86,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.149,1267 2.158,1268 1.437,1269 2.159,1270 1.925,1271 1.905,1272 2.036,1273 2.004,1274 1.383,1275 2.01,1276 1.892,1277 1.876,1278 2.018,1279 1.992,1280 1.168,1281 1.997,1282 1.772,1283 1.713,1284 1.984,1285 1.928,1286 1.138,1287 1.957,1288 1.75,1289 1.707,1290 1.926,1291 1.863,1292 1.115,1293 1.892,1294 1.541,1295 1.474,1296 1.811,1297 1.746,1298 1.065,1299 1.771,1300 1.342,1301 1.323,1302 1.543,1303 1.533,1304 0.794,1305 1.53,1306 1.284,1307 1.233,1308 1.469,1309 1.471,1310 0.747,1311 1.475,1312 4.489,1314 5.796,1315 2.398,1316 7.305,1317 4.727,1318 8.915,1319 6.843,1320 10.583,1323 6.26,1328 12.201,1329 3.771,1330 6.061,1340 47.255,1341 103.001,1342 251.701,1343 337.667,1344 417.235,1345 437.5,1346 437.5,1347 56.162,1348 8.955,1349 47.29,1350 47.29,1351 35,1352 12.923,1353 4.807,1354 3.858,1355 55.906,1356 264,1357 196,1358 0.1,1359 287.335,1360 491.21,1361 692.857,1362 153922,1363 1.4,1364 26.443,1365 0.678,1366 0.592,1367 26.943,1368 23.104,1369 19.242,1370 0.437,1371 0.334,1372 14.245,1373 18.55,1374 13.944,1375 11.522,1376 19.531,1377 14.69,1378 16.831,1379 0.281,1380 0.182,1381 17.239,1382 10.936,1383 14.394,1384 0.178,1385 0.097,1386 14.656,1387 7.896,1388 12.468,1389 0.113,1390 0.053,1391 12.702,1392 5.791,1393 10.556,1394 0.073,1395 0.03,1396 10.788,1397 4.249,1398 0.168,1399 121.216,1400 0.18,1401 36.574,1402 0.245,1403 208,1404 497.652,1405 235.044,1406 517.205,1407 724.55,1408 490,1409 245,1410 532.097,1411 267.062,1412 548.261,1413 809.82,1414 522,1415 6.588}
{0 CHEMBL1819180,1 1.237,2 16.605,3 9.663,4 93.366,5 178.576,6 7.099,7 0.68,8 4.46,9 4.58,10 4.014,11 4.118,12 5.448,13 4.068,14 5.015,15 5.179,16 4.388,17 4.553,18 5.935,19 4.477,20 5.307,21 5.531,22 4.484,23 4.682,24 6.155,25 4.583,26 5.347,27 5.582,28 4.441,29 4.677,30 6.191,31 4.569,32 5.35,33 5.586,34 4.368,35 4.685,36 6.14,37 4.556,38 5.393,39 5.636,40 4.31,41 4.705,42 6.159,43 4.554,44 5.395,45 5.655,46 4.147,47 4.654,48 6.117,49 4.47,50 5.348,51 5.627,52 3.979,53 4.547,54 6.024,55 4.34,56 0.08,57 1.062,58 16.539,59 7.293,60 11.734,61 10.059,62 0.158,63 1.848,64 30.404,65 13.002,66 21.406,67 18.136,68 0.258,69 2.477,70 43.653,71 17.625,72 33.704,73 24.997,74 0.396,75 2.645,76 46.207,77 17.527,78 42.959,79 24.919,80 0.302,81 2.567,82 46.191,83 18.584,84 35.658,85 26.36,86 0.302,87 2.645,88 48.499,89 19.948,90 37.436,91 28.287,92 0.278,93 2.596,94 49.349,95 20.898,96 38.818,97 29.689,98 0.283,99 2.454,100 48.031,101 20.477,102 38.621,103 29.192,105 71,106 0.185,107 0.483,108 0.61,109 0.724,110 0.765,111 0.765,112 3.787,113 0.95,114 -7.59,115 -7.37,116 -6.8,121 49.4,123 7,127 2,144 16,145 8,146 2,148 4,176 28,180 8,185 6,187 33,192 10,197 6,200 24,206 6,209 2,211 10,214 23,219 2,224 8,227 28,232 2,237 6,239 38,244 2,251 36,256 2,260 1,264 32,269 2,277 22,281 3640,282 30.534,283 30.534,284 30.534,285 30.534,286 30.534,287 26.583,288 26.7,289 18.421,290 30.751,291 24.832,292 24.832,293 24.832,294 24.832,295 24.832,296 18.823,297 40.459,298 8.851,299 25.205,300 5.066,301 3.072,302 2.228,303 1.462,304 1.19,305 1.19,306 4.528,313 1662,314 4,317 137.316,318 550.359,321 537.416,322 307.298,325 2.096,326 18.684,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.67,335 1,336 0.59,337 88,338 714,339 4.722,340 3.473,341 6.982,342 4.326,343 3.341,344 4.616,345 0.68,346 11.917,347 3.29,348 4.722,349 3.473,350 6.982,351 4.326,352 3.341,353 4.616,354 0.68,355 11.917,356 3.29,357 4.276,358 2.941,359 6.433,360 3.855,361 2.863,362 3.968,363 0.4,364 9.915,365 2.838,366 4.276,367 2.941,368 6.433,369 3.855,370 2.863,371 3.968,372 0.4,373 9.915,374 2.838,375 3.698,376 2.407,377 5.72,378 3.272,379 2.296,380 3.185,382 7.491,383 2.244,384 3.698,385 2.405,386 5.72,387 3.27,388 2.294,389 3.185,391 7.491,392 2.242,393 3.429,394 2.109,395 5.305,396 2.996,397 2.022,398 2.811,400 6.35,401 1.966,402 3.428,403 2.105,404 5.305,405 2.989,406 2.016,407 2.811,409 6.35,410 1.956,411 2.952,412 1.948,413 4.607,414 2.87,415 1.877,416 2.15,418 4.46,419 1.862,420 2.947,421 1.862,422 4.607,423 2.617,424 1.635,425 2.15,427 4.456,428 1.604,429 2.902,430 1.744,431 4.002,432 2.553,433 1.558,434 2.058,436 3.818,437 1.55,438 2.9,439 1.59,440 3.962,441 2.497,442 1.504,443 2.058,445 3.428,446 1.492,447 2.891,448 1.443,449 3.819,450 2.424,451 1.434,452 1.908,454 3.178,455 1.419,456 2.775,457 1.434,458 3.67,459 2.423,460 1.432,461 1.899,463 3.05,464 1.418,465 2.775,466 1.363,467 3.662,468 2.309,469 1.309,470 1.893,472 2.94,473 1.308,474 21.1,475 0.491,476 0.754,477 0.018,478 60,479 1.395,480 33,481 0.767,482 27,483 0.628,484 40.404,485 0.94,486 42.5,487 0.538,488 44.516,489 1.035,490 11.109,491 0.258,492 10.239,493 0.238,496 0.332,501 0.953,502 1.034,503 0.824,504 0.899,505 0.836,506 0.862,507 1.012,508 1.124,509 0.932,510 1.008,511 0.88,512 0.973,513 1.086,514 1.106,515 0.865,516 0.938,517 0.856,518 0.897,519 1.532,520 1.006,521 1.028,522 0.926,523 1.136,524 0.942,525 1.274,526 1.005,527 1.052,528 0.989,529 1.018,530 1.003,531 1.165,532 1.004,533 1.118,534 1.056,535 1.036,536 1.079,537 0.927,538 1.003,539 1.139,540 1.114,541 1.042,542 1.135,543 0.731,544 0.959,545 1.084,546 1.09,547 1.006,548 1.106,549 4.5,550 0.129,551 4.222,552 3.278,553 2.47,554 1.48,555 0.668,556 0.393,557 0.25,558 0.181,559 42348,560 84812,561 2.282,562 45.6,563 10,564 20,567 2,569 4,572 1.81,573 2.243,574 3.896,575 -0.024,582 97.751,583 1.237,584 3.232,585 4.076,586 4.842,587 5.114,588 5.114,589 3.13,590 4.45,591 5.41,592 4.175,593 3770.01,594 9.519,595 75448.8,600 497.999,601 0.91,602 5.398,603 0.09,604 0.004,605 0.059,606 0.043,607 0.035,608 0.022,609 0.011,610 0.008,611 0.006,612 0.005,613 0.284,614 0.33,615 0.63,617 253.628,618 0.007,619 0.013,620 0.068,621 0.054,622 0.059,623 0.063,624 0.004,625 -0.093,626 -0.004,627 -0.047,628 0.037,629 -0.03,630 0.097,631 -0.081,632 0.119,633 0.029,634 0.17,635 0.067,636 -0.026,637 0.064,638 -0.024,639 0.017,640 0.02,642 -0.122,643 0.011,644 -0.063,645 -0.018,646 -0.038,647 -0.033,648 -0.153,649 -0.013,650 -0.131,651 -0.072,652 -0.111,653 -0.095,654 -0.119,655 -0.051,656 -0.149,657 -0.108,658 -0.154,659 -0.126,660 0.005,661 -0.028,662 -0.082,663 -0.072,664 -0.124,665 -0.081,666 0.593,667 2.063,668 0.791,669 46.683,670 0.982,671 1.109,672 6.363,673 40.492,674 0.699,675 3.932,676 4.277,677 4.654,678 5.024,679 5.342,680 5.521,681 5.753,682 5.94,683 5.989,684 6.011,685 10.339,686 0.652,687 560.79,688 3.932,689 5.493,690 6.385,691 7.294,692 8.209,693 9.131,694 10.057,695 10.987,696 11.918,697 12.851,698 5.1,703 2,708 2,714 4,715 16,716 2,720 10,722 34,734 2,741 79,743 34,744 4,745 50,747 86,748 39,749 30,750 8,751 16,756 8,757 20,767 2,770 7,772 30,773 9,793 36,794 4,795 2,796 4,802 4,808 0.25,822 2,828 2,829 6,832 4,833 2,859 2,868 43,876 9,877 2,901 19.167,902 14.233,903 9.333,904 5.325,907 7.172,908 1.712,909 1.081,910 6.952,911 17.246,912 4.22,913 4.883,914 5.582,915 6.273,916 6.937,917 7.364,918 7.91,919 8.418,920 8.813,921 9.087,922 1,923 76,924 15.942,926 6.943,927 0.026,929 7.357,931 31.926,933 27.913,936 1.857,937 79.833,941 400.217,942 213.148,943 69.593,948 213.148,949 400.217,950 69.593,952 21.953,953 151.62,954 69.593,955 39.575,957 400.217,959 400.217,960 282.74,964 353.133,965 47.084,968 31.755,969 181.393,970 69.593,972 400.217,973 69.593,974 213.148,977 400.217,978 61.528,979 151.62,980 36.022,981 33.571,982 400.217,983 69.593,984 213.148,986 0.574,987 0.349,988 0.211,989 0.124,990 38,991 14,992 0.116,993 10,994 6,995 1.353,996 5.472,997 462.294,998 0.353,999 34,1000 187.329,1005 26.278,1006 11.377,1007 4.815,1008 4.616,1009 69.593,1010 34.543,1011 10.125,1015 12.899,1017 36.022,1018 682.958,1019 67,1031 77.545,1032 87.636,1034 0.196,1035 0.513,1036 0.647,1037 0.768,1038 0.811,1039 0.811,1040 5.462,1041 2.016,1042 6.358,1043 6.35,1044 4.963,1045 5.572,1046 1.25,1047 7.228,1048 4.932,1049 6.674,1050 1.877,1051 7.938,1052 6.35,1053 4.443,1054 5.38,1056 8.228,1057 4.399,1058 7.997,1059 1.635,1060 9.628,1061 4.46,1062 6.589,1063 7.871,1064 0.672,1065 11.429,1066 6.529,1067 9.365,1068 1.558,1069 11.388,1070 4.456,1071 7.004,1072 8.59,1074 13.319,1075 6.931,1076 10.773,1077 1.504,1078 13.192,1079 3.818,1080 8.552,1081 10.505,1082 0.345,1083 16.02,1084 8.465,1085 12.21,1086 1.434,1087 15.027,1088 3.428,1089 9.405,1090 11.647,1092 18.251,1093 9.304,1094 13.67,1095 1.432,1096 16.883,1097 3.178,1098 10.721,1099 13.326,1100 0.17,1101 20.791,1102 10.606,1103 3.341,1104 1.309,1105 18.755,1106 3.05,1107 11.77,1108 14.668,1110 23.158,1111 11.64,1112 3.341,1113 11.917,1114 20.637,1115 2.94,1116 13.001,1117 16.249,1118 0.082,1119 25.647,1120 12.856,1121 2.863,1122 11.917,1123 22.528,1124 4.616,1125 14.133,1126 17.684,1128 28.071,1129 13.973,1130 2.863,1131 9.915,1132 24.427,1133 4.616,1134 15.336,1135 19.225,1136 0.038,1137 30.544,1138 15.16,1139 2.296,1140 9.915,1141 26.331,1142 3.968,1143 16.504,1144 20.705,1146 32.993,1147 16.312,1148 2.294,1149 7.491,1150 28.239,1151 3.968,1152 17.699,1153 22.232,1154 0.018,1155 35.462,1156 17.492,1157 2.022,1158 7.491,1159 30.152,1160 3.185,1161 18.884,1162 23.733,1164 37.924,1165 18.66,1166 36946,1167 52478,1168 35.482,1169 55.205,1170 75.343,1171 75.959,1172 76.608,1173 75.383,1174 75.389,1175 101.189,1176 4.32,1177 221.335,1178 74.218,1179 5.685,1180 5.473,1181 6.89,1182 5.372,1183 5.341,1184 7.616,1185 1.36,1186 19.607,1187 5.29,1189 1.507,1190 1.519,1191 1.532,1192 1.508,1193 1.508,1194 2.024,1195 0.086,1196 4.427,1197 1.484,1198 4.177,1199 4.203,1200 4.143,1201 4.116,1202 5.03,1203 4.119,1204 4.126,1205 4.15,1206 4.096,1207 4.068,1208 4.987,1209 4.072,1210 3.872,1211 3.899,1212 3.812,1213 3.824,1214 4.7,1215 3.818,1216 3.871,1217 3.898,1218 3.811,1219 3.824,1220 4.698,1221 3.818,1222 3.767,1223 3.833,1224 3.607,1225 3.642,1226 4.337,1227 3.624,1228 3.577,1229 3.651,1230 3.442,1231 3.429,1232 4.326,1233 3.424,1234 3.462,1235 3.511,1236 3.369,1237 3.374,1238 4.259,1239 3.368,1240 3.406,1241 3.455,1242 3.287,1243 3.309,1244 4.202,1245 3.295,1246 0.094,1247 0.069,1248 0.14,1249 0.087,1250 0.067,1251 4.722,1252 0.092,1253 3.473,1254 0.014,1255 6.982,1256 0.238,1257 4.326,1258 0.066,1259 3.341,1260 4.616,1261 0.68,1262 11.917,1263 3.29,1264 2.04,1265 2.017,1266 2.11,1267 2.124,1268 1.394,1269 2.121,1270 2.039,1271 2.017,1272 2.104,1273 2.121,1274 1.273,1275 2.118,1276 1.882,1277 1.858,1278 2.023,1279 1.956,1280 1.252,1281 1.978,1282 1.882,1283 1.858,1284 1.996,1285 1.95,1286 1.143,1287 1.967,1288 1.778,1289 1.716,1290 1.994,1291 1.934,1292 1.143,1293 1.96,1294 1.587,1295 1.53,1296 1.833,1297 1.774,1298 1.128,1299 1.798,1300 1.517,1301 1.481,1302 1.675,1303 1.637,1304 0.862,1305 1.654,1306 1.466,1307 1.414,1308 1.646,1309 1.587,1310 0.848,1311 1.61,1312 4.615,1314 5.953,1315 3.045,1316 7.505,1317 5.533,1318 9.165,1319 7.758,1320 10.885,1328 9.976,1329 7.673,1340 51.514,1341 97.751,1342 255.33,1343 322.025,1344 382.489,1345 403.999,1346 403.999,1347 53.207,1348 10.074,1349 49.84,1350 49.84,1351 46,1352 13.351,1353 5.129,1354 4.17,1355 54.422,1356 284,1357 180,1358 0.092,1359 306.063,1360 520.74,1361 738.555,1362 561916,1364 28.589,1365 0.665,1366 0.57,1367 28.589,1368 24.496,1369 21.348,1370 0.427,1371 0.317,1372 15.755,1373 21.094,1374 15.423,1375 12.746,1376 21.348,1377 15.825,1378 18.812,1379 0.265,1380 0.168,1381 18.812,1382 11.951,1383 17.146,1384 0.165,1385 0.089,1386 17.146,1387 9.223,1388 15.573,1389 0.103,1390 0.047,1391 15.573,1392 7.095,1393 13.705,1394 0.066,1395 0.025,1396 13.705,1397 5.236,1398 0.151,1399 129.816,1400 0.168,1401 38.849,1402 0.231,1403 242,1404 497.956,1405 249.549,1406 509.333,1407 747.2,1408 486,1409 296,1410 589.014,1411 304.993,1412 607.412,1413 908.26,1414 580,1415 6.342}
{0 CHEMBL182596,1 1.409,2 9.143,3 1.905,4 3.629,5 55.262,6 5.809,8 3.58,9 3.723,10 2.86,11 2.929,12 4.561,13 2.877,14 4.155,15 4.381,16 3.002,17 3.229,18 5.141,19 3.097,20 4.385,21 4.689,22 2.911,23 3.267,24 5.148,25 3.095,26 4.287,27 4.57,28 2.855,29 3.117,30 5.201,31 2.988,32 4.137,33 4.407,34 2.763,35 2.967,36 5.11,37 2.865,38 3.989,39 4.235,40 2.683,41 2.85,42 5.099,43 2.753,44 3.851,45 4.104,46 2.432,47 2.774,48 4.819,49 2.644,50 3.768,51 4.05,52 2.346,53 2.746,54 4.871,55 2.55,56 0.034,57 0.411,58 8.855,59 3.118,60 6.088,61 4.621,62 0.348,63 0.557,64 15.234,65 4.557,66 32.174,67 7.048,68 0.243,69 0.577,70 17.808,71 4.805,72 28.454,73 7.925,74 0.309,75 0.498,76 16.722,77 3.869,78 37.328,79 6.594,80 0.298,81 0.422,82 14.652,83 3.231,84 34.969,85 5.506,86 0.363,87 0.368,88 12.879,89 2.932,90 41.578,91 4.834,92 0.225,93 0.343,94 10.903,95 2.738,96 27.493,97 4.452,98 0.263,99 0.333,100 9.745,101 2.879,102 41.653,103 4.534,104 30,105 13,106 0.275,107 0.475,108 0.722,109 0.862,110 0.884,111 0.884,112 2.724,113 1.229,114 -2.27,115 -2.31,116 -2.27,121 28.6,122 1,123 5,127 3,161 1,176 4,179 1,180 1,183 2,185 2,187 2,192 1,197 2,206 4,211 3,219 3,224 1,232 3,235 1,237 1,239 1,251 2,259 1,260 1,264 3,277 2,281 224,282 9.519,283 9.519,284 9.519,285 9.519,286 9.519,287 9.364,288 8.334,289 6.628,290 9.75,291 6.381,292 6.381,293 6.381,294 6.381,295 6.381,296 6.078,297 6.257,298 3.131,299 6.711,300 3.72,301 2.695,302 1.428,303 0.707,304 0.593,305 0.593,306 3.32,311 1,312 1,313 231,314 3.606,325 1.592,326 16.209,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 31.5,338 128,339 3.659,340 3.637,341 5.035,342 3.32,343 2.382,344 2.828,345 2.186,346 6.092,347 2.207,348 2.809,349 2.033,350 3.799,351 2.781,352 1.802,353 1.808,354 0.366,355 3.552,356 1.762,357 2.63,358 1.794,359 3.577,360 2.584,361 1.601,362 1.624,364 3.055,365 1.569,366 2.281,367 1.749,368 3.198,369 2.191,370 1.247,371 1.267,373 2.293,374 1.166,375 1.769,376 1.113,377 2.715,378 1.685,379 0.74,380 0.747,382 1.239,383 0.693,384 1.553,385 1.033,386 2.249,387 1.38,388 0.445,389 0.467,391 0.714,392 0.409,393 0.827,394 0.353,395 1.759,396 0.686,397 -0.236,398 -0.237,400 -0.383,401 -0.215,402 0.744,403 -0.021,404 1.404,405 0.557,406 -0.445,407 -0.492,409 -0.717,410 -0.437,411 0.146,412 -0.395,413 1,414 -0.036,415 -1,416 -1.068,418 -1.876,419 -0.951,420 -0.172,421 -0.941,422 0.725,423 -0.258,424 -1.247,425 -1.394,427 -2.443,428 -1.246,429 -0.518,430 -1.16,431 0.403,432 -0.614,433 -1.545,434 -1.661,436 -3.155,437 -1.402,438 -0.786,439 -1.658,440 0.09,441 -0.833,442 -1.802,443 -1.929,444 -0.85,445 -3.696,446 -1.746,447 -0.942,448 -1.757,449 0.046,450 -1.041,451 -1.942,452 -1.963,453 -1.702,454 -4.676,455 -1.809,474 6.4,475 0.457,476 0.106,477 0.008,478 9.5,479 0.679,480 1.5,481 0.107,482 8,483 0.571,484 12.479,485 0.891,486 18.8,487 0.537,488 5.426,489 0.388,490 1.712,491 0.122,492 5.096,493 0.364,494 0.182,496 0.078,501 0.886,502 1.8,503 1.108,504 1.668,505 0.759,506 1.452,507 0.718,508 1.332,509 1.133,510 1.369,511 0.613,512 1.343,513 0.836,514 1.011,515 0.848,516 0.974,517 0.723,518 0.919,519 1.336,520 0.941,521 1.043,522 0.881,523 1.282,524 0.894,525 1.584,526 0.858,527 1.134,528 0.829,529 1.518,530 0.872,531 1.579,532 0.899,533 1.19,534 0.877,535 1.608,536 0.948,537 1.558,538 0.968,539 1.276,540 0.951,541 1.641,542 1.047,543 0.459,544 1.021,545 0.98,546 1.113,547 0.628,548 1.149,549 1.5,550 0.017,551 0.667,552 0.375,553 0.24,554 0.167,555 0.082,556 0.062,557 0.025,558 0.02,559 1329,560 3436,561 1.775,562 60,563 7,564 6,567 2,569 6,572 1.496,573 1.68,574 3.233,575 0.547,579 1,582 49.312,583 1.409,584 2.434,585 3.701,586 4.422,587 4.536,588 4.536,589 2.753,590 3.522,591 3.771,592 3.333,593 303.26,594 6.235,595 2618.78,597 1,600 179.525,601 1.095,602 3.748,603 0.115,604 0.006,605 0.051,606 0.031,607 0.022,608 0.017,609 0.009,610 0.009,611 0.004,612 0.005,613 0.269,614 0.67,615 1,616 2.753,617 56.972,618 -0.064,619 -0.221,620 -0.025,621 -0.157,622 -0.051,623 -0.089,624 0.211,625 -0.12,626 -0.116,627 -0.199,628 0.117,629 -0.229,630 -0.022,631 -0.078,632 0.075,633 -0.024,634 -0.018,635 0.04,636 -0.162,637 -0.027,638 -0.028,639 0.004,640 -0.137,641 0.017,642 -0.23,643 0.062,644 -0.071,645 0.04,646 -0.191,647 0.025,648 -0.076,649 0.034,650 -0.094,651 0.037,652 -0.081,653 -0.025,654 -0.273,655 0.02,656 -0.223,657 0.014,658 -0.218,659 -0.085,660 0.289,661 0.019,662 -0.051,663 -0.085,664 0.343,665 -0.136,666 1.998,667 3.968,669 11.714,670 0.998,671 1.151,672 1.037,673 1.075,674 0.571,675 2.639,676 2.639,677 2.565,678 2.485,679 2.398,680 2.303,681 2.079,682 1.946,683 1.609,684 1.386,685 5.407,686 0.527,687 203.32,688 2.639,689 3.97,690 4.635,691 5.333,692 6.019,693 6.727,694 7.422,695 8.137,696 8.837,697 9.555,698 2.9,705 1,741 35,743 1,745 13,747 34,748 10,763 2,770 5,772 1,773 9,777 1,782 1,786 1,790 1,793 21,794 4,795 2,796 4,802 1,809 3,810 1,856 1,857 1,864 1,868 14,875 1,876 8,877 1,878 1,893 8.6,894 1,896 1,898 1,901 8.333,902 6.033,903 3.667,904 2.454,907 0.116,908 1.025,909 0.818,910 10.303,911 4.779,912 2.708,913 2.773,914 2.708,915 2.639,916 2.565,917 2.485,918 2.197,919 2.079,920 1.609,921 1.386,922 1,923 12,924 5.183,925 0.002,926 1.876,927 0.026,929 7.976,931 9.967,932 0.001,933 7.06,934 -0.002,936 2.476,937 34.667,938 0.006,941 223.651,942 34.958,943 18.011,945 78.828,948 34.958,949 302.479,950 18.011,951 8.825,952 37.381,953 42.683,954 25.145,955 11,956 6.763,957 223.651,959 223.651,960 52.969,961 78.828,964 153.024,965 106.771,966 42.683,968 46.207,969 6.763,972 223.651,973 96.839,974 34.958,977 223.651,978 26.133,979 8.825,980 18.011,981 78.828,982 223.651,983 96.839,984 34.958,986 0.495,987 0.246,988 0.113,989 0.057,990 1,991 1,992 0.265,993 9,996 2.752,997 62.458,1000 53.303,1005 13.558,1006 10.638,1007 10.558,1009 96.839,1017 60.694,1018 355.448,1019 14,1024 10.968,1028 -0.331,1031 34.92,1032 40.279,1034 0.275,1035 0.475,1036 0.722,1037 0.862,1038 0.884,1039 0.884,1040 3.761,1041 -0.445,1042 4.419,1043 -0.383,1044 3.296,1045 3.434,1046 2.255,1047 4.812,1048 3.195,1049 4.71,1050 -1,1051 5.714,1052 -0.717,1053 1.946,1054 2.565,1055 1.784,1056 4.691,1057 1.822,1058 5.814,1059 -1.247,1060 7.102,1061 -1.876,1062 4.466,1063 4.844,1064 3.49,1065 7.811,1066 4.243,1067 6.952,1068 -1.545,1069 8.552,1070 -2.443,1071 3.932,1072 4.949,1073 3.59,1074 8.69,1075 3.621,1076 8.134,1077 -1.802,1078 10.045,1079 -3.155,1080 5.844,1081 6.564,1082 4.905,1083 11.132,1084 5.478,1085 9.344,1086 -1.942,1087 11.569,1088 -3.696,1089 5.82,1090 7.162,1091 5.289,1092 12.466,1093 5.33,1094 10.575,1096 13.118,1097 -4.676,1098 7.347,1099 8.466,1100 6.387,1101 14.606,1102 6.824,1103 2.382,1105 14.685,1107 7.647,1108 9.302,1109 6.93,1110 16.161,1111 6.986,1112 1.802,1113 6.092,1114 16.264,1116 8.933,1117 10.464,1118 7.902,1119 18.151,1120 8.244,1121 1.601,1122 3.552,1123 17.854,1124 2.828,1125 9.44,1126 11.41,1127 8.539,1128 19.819,1129 8.616,1130 1.247,1131 3.055,1132 19.451,1133 1.808,1134 10.574,1135 12.506,1136 9.436,1137 21.729,1138 9.716,1139 0.74,1140 2.293,1141 21.053,1142 1.624,1143 11.213,1144 13.503,1145 10.13,1146 23.457,1147 10.229,1148 0.445,1149 1.239,1150 22.659,1151 1.267,1152 12.251,1153 14.569,1154 10.981,1155 25.323,1156 11.225,1157 -0.236,1158 0.714,1159 24.268,1160 0.747,1161 12.973,1162 15.589,1163 11.71,1164 27.085,1165 11.833,1166 1549,1167 2558,1168 8.03,1169 19.983,1170 16.479,1171 17.385,1172 17.146,1173 16.435,1174 16.434,1175 17.484,1176 5.105,1177 33.893,1178 15.611,1179 4.601,1180 5.395,1181 4.989,1182 4.361,1183 4.324,1184 4.791,1185 3.889,1186 10.768,1187 4.016,1188 7.812,1189 1.268,1190 1.337,1191 1.319,1192 1.264,1193 1.264,1194 1.345,1195 0.393,1196 2.607,1197 1.201,1198 3.771,1199 3.828,1200 3.642,1201 3.594,1202 7.435,1203 3.588,1204 3.681,1205 3.752,1206 3.511,1207 3.531,1208 6.456,1209 3.514,1210 3.469,1211 3.513,1212 3.334,1213 3.194,1214 4.473,1215 3.222,1216 3.28,1217 3.361,1218 3.085,1219 3.043,1220 4.194,1221 3.04,1222 3.019,1223 3.08,1224 2.8,1225 2.737,1226 3.947,1227 2.751,1228 2.772,1229 2.863,1230 2.521,1231 2.459,1232 3.822,1233 2.455,1234 2.469,1235 2.589,1236 2.131,1237 2.136,1238 3.293,1239 2.112,1240 2.301,1241 2.424,1242 1.952,1243 1.91,1244 3.148,1245 1.89,1246 0.281,1247 0.28,1248 0.387,1249 0.255,1250 0.183,1251 3.659,1252 0.218,1253 3.637,1254 0.168,1255 5.035,1256 0.469,1257 3.32,1258 0.17,1259 2.382,1260 2.828,1261 2.186,1262 6.092,1263 2.207,1264 1.726,1265 1.668,1266 1.981,1267 1.932,1268 1.311,1269 1.945,1270 1.694,1271 1.625,1272 1.967,1273 1.883,1274 1.254,1275 1.915,1276 1.376,1277 1.325,1278 1.655,1279 1.677,1280 0.89,1281 1.665,1282 1.257,1283 1.172,1284 1.593,1285 1.534,1286 0.753,1287 1.556,1288 0.943,1289 0.89,1290 1.254,1291 1.28,1292 0.397,1293 1.276,1294 0.734,1295 0.637,1296 1.147,1297 1.089,1298 0.253,1299 1.113,1300 0.46,1301 0.341,1302 0.912,1303 0.84,1304 0.018,1305 0.874,1306 0.286,1307 0.151,1308 0.827,1309 0.708,1311 0.753,1312 3.296,1314 4.369,1316 5.587,1318 6.874,1320 8.202,1322 2.071,1327 8.498,1328 5.893,1329 2.664,1330 4.903,1340 18.434,1341 49.312,1342 85.205,1343 129.551,1344 154.77,1345 158.77,1346 158.77,1347 43.989,1348 4.663,1349 58.56,1350 58.56,1352 10.23,1353 1,1354 1,1355 48.835,1356 44,1357 42,1358 0.538,1359 122.549,1360 216.29,1361 290.781,1362 420,1364 10.648,1365 0.761,1366 0.637,1367 10.648,1368 8.921,1369 6.808,1370 0.524,1371 0.41,1372 5.235,1373 6.445,1374 5.126,1375 4.357,1376 6.808,1377 5.324,1378 4.804,1379 0.37,1380 0.246,1381 4.804,1382 3.201,1383 3.101,1384 0.258,1385 0.153,1386 3.101,1387 1.835,1388 1.983,1389 0.18,1390 0.089,1391 1.983,1392 0.974,1393 1.245,1394 0.125,1395 0.05,1396 1.245,1397 0.501,1398 0.883,1399 43.495,1400 0.353,1401 15.342,1402 1.35,1403 52,1404 195.954,1405 61.249,1406 174.183,1407 215.74,1408 162,1409 51,1410 132.296,1411 58.147,1412 128.641,1413 182.28,1414 120,1415 5.854}
{0 CHEMBL182696,1 1.276,2 14.524,3 5.098,4 25.993,5 87.469,6 5.384,8 4.026,9 4.179,10 3.244,11 3.435,12 4.886,13 3.348,14 4.638,15 4.875,16 3.385,17 3.783,18 5.462,19 3.611,20 4.93,21 5.249,22 3.33,23 3.87,24 5.553,25 3.648,26 4.875,27 5.183,28 3.293,29 3.791,30 5.588,31 3.588,32 4.794,33 5.098,34 3.235,35 3.717,36 5.527,37 3.523,38 4.72,39 5.015,40 3.181,41 3.656,42 5.483,43 3.463,44 4.668,45 4.964,46 3.061,47 3.599,48 5.406,49 3.397,50 4.594,51 4.903,52 2.984,53 3.553,54 5.255,55 3.332,56 0.075,57 0.687,58 14.218,59 5.526,60 6.729,61 8.003,62 0.401,63 1.001,64 23.938,65 8.447,66 32.606,67 12.555,68 0.286,69 1.114,70 28.614,71 9.566,72 25.454,73 14.74,74 0.339,75 1.033,76 27.653,77 8.613,78 33.277,79 13.443,80 0.33,81 0.953,82 25.717,83 7.956,84 31.768,85 12.379,86 0.298,87 0.886,88 23.965,89 7.556,90 32.994,91 11.636,92 0.309,93 0.837,94 22.633,95 7.136,96 31.12,97 10.982,98 0.222,99 0.801,100 20.598,101 6.895,102 21.689,103 10.574,104 45,105 20,106 0.22,107 0.35,108 0.536,109 0.679,110 0.755,111 0.819,112 3.098,113 1.324,114 -4.12,115 -4.07,116 -3.85,121 30.4,122 1,123 12,127 3,161 1,176 11,179 1,180 1,183 2,185 2,187 9,192 1,197 2,200 7,206 4,211 3,214 6,219 4,224 2,227 5,232 4,237 2,239 5,244 2,249 2,251 5,256 2,261 2,264 5,269 2,274 2,277 4,281 735,282 14.468,283 14.468,284 14.468,285 14.468,286 14.468,287 14.314,288 8.334,289 10.128,290 14.699,291 9.881,292 9.881,293 9.881,294 9.881,295 9.881,296 9.578,297 6.257,298 4.881,299 10.211,300 4.532,301 3.777,302 2.693,303 1.862,304 1.425,305 1.049,306 3.729,311 1,312 1,313 571,314 4.472,325 2.404,326 17.721,329 1,330 0.83,331 0.83,332 0.6,333 1,334 0.83,335 0.5,336 0.8,337 45.5,338 305,339 3.659,340 3.637,341 5.035,342 3.32,343 2.382,344 2.828,345 2.186,346 6.092,347 2.207,348 2.95,349 2.032,350 3.948,351 2.946,352 1.948,353 1.95,354 0.366,355 3.89,356 1.943,357 2.806,358 1.947,359 3.8,360 2.792,361 1.802,362 1.805,364 3.578,365 1.782,366 2.644,367 1.796,368 3.63,369 2.61,370 1.634,371 1.642,373 3.179,374 1.591,375 2.555,376 1.769,377 3.494,378 2.517,379 1.526,380 1.548,382 2.939,383 1.507,384 2.265,385 1.521,386 3.219,387 2.218,388 1.247,389 1.258,391 2.386,392 1.204,393 1.92,394 1.18,395 2.91,396 1.865,397 0.915,398 0.917,400 1.702,401 0.862,402 1.747,403 1.043,404 2.627,405 1.653,406 0.685,407 0.701,409 1.165,410 0.658,411 1.505,412 0.78,413 2.321,414 1.408,415 0.445,416 0.458,418 0.774,419 0.424,420 1.102,421 0.389,422 2,423 1.01,424 0.059,425 0.06,427 0.104,428 0.055,429 0.77,430 0.11,431 1.687,432 0.647,433 -0.311,434 -0.312,436 -0.529,437 -0.296,438 0.684,439 -0.15,440 1.435,441 0.556,442 -0.445,443 -0.481,445 -0.754,446 -0.438,447 0.309,448 -0.411,449 1.218,450 0.213,451 -0.763,452 -0.797,454 -1.435,455 -0.741,457 -0.755,458 0.887,459 -0.125,460 -1.109,461 -1.15,463 -2.174,464 -1.077,465 -0.192,466 -1.006,467 0.725,468 -0.257,469 -1.247,470 -1.379,472 -2.445,473 -1.246,474 9.9,475 0.471,476 0.106,477 0.005,478 13,479 0.619,480 1.5,481 0.071,482 11.5,483 0.548,484 24.064,485 1.146,486 27.9,487 0.498,488 6.18,489 0.294,490 1.712,491 0.082,492 8.596,493 0.409,494 0.118,496 0.051,501 0.873,502 1.679,503 1.219,504 1.599,505 0.745,506 1.47,507 0.697,508 1.394,509 1.235,510 1.427,511 0.587,512 1.41,513 0.745,514 1.002,515 0.88,516 0.99,517 0.643,518 0.958,519 1.103,520 0.965,521 0.99,522 0.947,523 1.061,524 0.95,525 1.205,526 0.928,527 1.024,528 0.931,529 1.156,530 0.946,531 1.223,532 0.991,533 1.038,534 0.994,535 1.194,536 0.993,537 1.332,538 0.942,539 1.104,540 0.95,541 1.315,542 0.994,543 0.88,544 1.019,545 0.988,546 1.027,547 0.868,548 1.023,549 1.5,550 0.033,551 0.667,552 0.375,553 0.24,554 0.167,555 0.082,556 0.062,557 0.049,558 0.04,559 5060,560 10233,561 1.847,562 62.5,563 21,564 6,567 2,569 6,572 1.618,573 1.775,574 3.855,575 0.284,582 71.445,583 1.276,584 2.031,585 3.115,586 3.945,587 4.383,588 4.758,589 3.309,590 4.011,591 4.358,592 3.999,593 839.712,594 7.401,595 10879.4,597 1,600 325.212,601 0.857,602 4.353,603 0.075,604 0.003,605 0.033,606 0.02,607 0.013,608 0.01,609 0.005,610 0.004,611 0.004,612 0.003,613 0.171,614 0.5,615 0.88,616 3.309,617 103.29,618 -0.029,619 -0.123,620 -0.017,621 -0.089,622 -0.022,623 -0.055,624 0.209,625 -0.159,626 -0.161,627 -0.217,628 0.124,629 -0.242,630 0.007,631 -0.037,632 0.049,633 -0.011,634 0.005,635 0.021,636 -0.069,637 -0.005,638 -0.006,639 0.004,640 -0.058,641 0.008,642 -0.093,643 0.04,644 -0.022,645 0.021,646 -0.075,647 0.012,648 -0.086,649 -0.019,650 -0.031,651 -0.016,652 -0.049,653 -0.015,654 -0.141,655 0.021,656 -0.091,657 0.017,658 -0.115,659 -0.026,660 -0.045,661 -0.034,662 -0.034,663 -0.032,664 -0.041,665 -0.032,666 1.939,667 4.251,669 26,670 0.984,671 1.146,672 2.894,673 8.374,674 0.577,675 3.045,676 3.045,677 2.996,678 2.944,679 2.89,680 2.833,681 2.708,682 2.639,683 2.565,684 2.485,685 8.347,686 0.52,687 301.53,688 3.045,689 4.394,690 5.069,691 5.765,692 6.454,693 7.157,694 7.851,695 8.559,696 9.256,697 9.966,698 1.8,705 1,741 56,743 1,745 20,747 55,748 17,763 2,770 12,772 1,773 16,777 1,782 1,786 1,793 35,794 4,795 2,796 4,802 1,809 3,810 1,856 1,857 1,864 1,868 21,875 1,876 15,877 1,878 1,893 5.4,894 1,896 1,898 1,901 11.833,902 9.533,903 5.417,904 4.204,907 0.083,908 1.015,909 0.845,910 17.239,911 5.529,912 3.091,913 3.135,914 3.091,915 3.045,916 2.996,917 2.944,918 2.773,919 2.708,920 2.639,921 2.565,922 0.9,923 19,924 7.836,926 2.883,927 0.026,929 7.651,931 15.682,933 11.727,936 2.151,937 45.167,938 0.001,940 1,941 388.446,942 52.7,943 18.011,945 78.828,948 52.7,949 467.275,950 18.011,951 8.825,952 55.123,953 42.683,954 25.145,955 11,956 6.763,957 388.446,959 388.446,960 70.711,961 78.828,964 317.82,965 106.771,966 42.683,968 63.948,969 6.763,972 388.446,973 96.839,974 52.7,977 388.446,978 43.875,979 8.825,980 18.011,981 78.828,982 388.446,983 96.839,984 52.7,986 0.497,987 0.248,988 0.117,989 0.059,990 1,991 1,992 0.291,993 16,996 3.671,997 110.506,1000 92.239,1005 20.558,1006 17.61,1007 17.507,1009 96.839,1017 60.694,1018 537.985,1019 21,1024 11.251,1028 -0.272,1031 55.105,1032 64.185,1034 0.22,1035 0.35,1036 0.536,1037 0.679,1038 0.755,1039 0.819,1040 4.159,1041 0.685,1042 4.828,1043 1.702,1044 3.714,1045 3.807,1046 2.255,1047 5.187,1048 3.649,1049 5.075,1050 0.445,1051 6.094,1052 1.165,1053 1.946,1054 2.565,1055 1.784,1056 4.691,1057 1.822,1058 6.148,1059 0.059,1060 7.441,1061 0.774,1062 4.86,1063 5.13,1064 3.49,1065 8.052,1066 4.715,1067 7.246,1068 -0.311,1069 8.845,1070 0.104,1071 3.932,1072 4.949,1073 3.59,1074 8.69,1075 3.621,1076 8.388,1077 -0.445,1078 10.292,1079 -0.529,1080 6.184,1081 6.744,1082 4.905,1083 11.255,1084 5.939,1085 9.559,1086 -0.763,1087 11.774,1088 -0.754,1089 5.82,1090 7.162,1091 5.289,1092 12.466,1093 5.33,1094 10.756,1095 -1.109,1096 13.284,1097 -1.435,1098 7.621,1099 8.564,1100 6.387,1101 14.662,1102 7.251,1103 2.382,1104 -1.247,1105 14.818,1106 -2.174,1107 7.647,1108 9.302,1109 6.93,1110 16.161,1111 6.986,1112 1.948,1113 6.092,1114 16.37,1115 -2.445,1116 9.142,1117 10.513,1118 7.902,1119 18.174,1120 8.625,1121 1.802,1122 3.89,1123 17.938,1124 2.828,1125 9.44,1126 11.41,1127 8.539,1128 19.819,1129 8.616,1130 1.634,1131 3.578,1132 19.516,1133 1.95,1134 10.727,1135 12.53,1136 9.436,1137 21.739,1138 10.045,1139 1.526,1140 3.179,1141 21.104,1142 1.805,1143 11.213,1144 13.503,1145 10.13,1146 23.457,1147 10.229,1148 1.247,1149 2.939,1150 22.699,1151 1.642,1152 12.359,1153 14.58,1154 10.981,1155 25.327,1156 11.502,1157 0.915,1158 2.386,1159 24.298,1160 1.548,1161 12.973,1162 15.589,1163 11.71,1164 27.085,1165 11.833,1166 5539,1167 7969,1168 12.882,1169 32.313,1170 25.307,1171 26.41,1172 25.967,1173 25.276,1174 25.285,1175 26.333,1176 5.105,1177 51.618,1178 24.467,1179 4.635,1180 5.581,1181 5.023,1182 4.367,1183 4.359,1184 4.817,1185 3.889,1186 10.769,1187 4.156,1188 10.847,1189 1.265,1190 1.321,1191 1.298,1192 1.264,1193 1.264,1194 1.317,1195 0.255,1196 2.581,1197 1.223,1198 3.838,1199 3.9,1200 3.682,1201 3.71,1202 7.435,1203 3.691,1204 3.731,1205 3.794,1206 3.595,1207 3.567,1208 6.456,1209 3.556,1210 3.685,1211 3.754,1212 3.511,1213 3.54,1214 4.476,1215 3.524,1216 3.551,1217 3.612,1218 3.383,1219 3.379,1220 4.202,1221 3.367,1222 3.42,1223 3.478,1224 3.265,1225 3.171,1226 4.191,1227 3.188,1228 3.279,1229 3.362,1230 3.074,1231 3.066,1232 4.016,1233 3.06,1234 3.09,1235 3.171,1236 2.857,1237 2.855,1238 3.875,1239 2.842,1240 2.962,1241 3.035,1242 2.734,1243 2.7,1244 3.754,1245 2.704,1246 0.183,1247 0.182,1248 0.252,1249 0.166,1250 0.119,1251 3.659,1252 0.141,1253 3.637,1254 0.109,1255 5.035,1256 0.305,1257 3.32,1258 0.11,1259 2.382,1260 2.828,1261 2.186,1262 6.092,1263 2.207,1264 1.824,1265 1.765,1266 2.071,1267 1.982,1268 1.437,1269 2.015,1270 1.72,1271 1.659,1272 1.979,1273 1.919,1274 1.324,1275 1.937,1276 1.697,1277 1.627,1278 1.969,1279 1.88,1280 1.254,1281 1.914,1282 1.547,1283 1.483,1284 1.828,1285 1.758,1286 1.15,1287 1.781,1288 1.355,1289 1.295,1290 1.65,1291 1.635,1292 0.933,1293 1.636,1294 1.273,1295 1.189,1296 1.601,1297 1.529,1298 0.755,1299 1.56,1300 1.08,1301 0.999,1302 1.44,1303 1.36,1304 0.696,1305 1.389,1306 0.914,1307 0.849,1308 1.254,1309 1.23,1310 0.465,1311 1.242,1312 3.714,1314 4.796,1316 6.009,1318 7.284,1320 8.596,1322 2.099,1327 8.663,1328 15.578,1329 2.746,1330 5.101,1340 29.121,1341 71.445,1342 113.727,1343 174.418,1344 220.947,1345 245.437,1346 266.457,1347 99.902,1348 5.447,1349 58.56,1350 58.56,1352 10.647,1353 1,1354 1,1355 99.004,1356 105,1357 100,1358 0.437,1359 189.696,1360 337.39,1361 454.618,1362 1470,1364 15.598,1365 0.743,1366 0.66,1367 15.598,1368 13.87,1369 10.308,1370 0.515,1371 0.441,1372 8.735,1373 9.945,1374 8.557,1375 7.274,1376 10.308,1377 8.824,1378 7.279,1379 0.364,1380 0.284,1381 7.279,1382 5.675,1383 4.851,1384 0.255,1385 0.189,1386 4.851,1387 3.585,1388 3.221,1389 0.179,1390 0.123,1391 3.221,1392 2.211,1393 2.12,1394 0.125,1395 0.081,1396 2.12,1397 1.376,1398 0.753,1399 64.495,1400 0.279,1401 22.725,1402 1.037,1403 80,1404 223.954,1405 89.249,1406 203.314,1407 256.06,1408 190,1409 79,1410 160.296,1411 86.147,1412 157.772,1413 222.6,1414 148,1415 6.523}
{0 CHEMBL183394,1 1.251,2 16.043,3 6.011,4 36.129,5 96.671,6 5.316,8 4.124,9 4.278,10 3.332,11 3.543,12 4.962,13 3.45,14 4.742,15 4.98,16 3.473,17 3.897,18 5.538,19 3.719,20 5.044,21 5.364,22 3.423,23 3.992,24 5.643,25 3.763,26 4.994,27 5.306,28 3.39,29 3.922,30 5.676,31 3.709,32 4.923,33 5.231,34 3.337,35 3.858,36 5.62,37 3.651,38 4.858,39 5.159,40 3.288,41 3.805,42 5.58,43 3.6,44 4.813,45 5.115,46 3.181,47 3.756,48 5.511,49 3.542,50 4.75,51 5.062,52 3.113,53 3.716,54 5.376,55 3.486,56 0.085,57 0.765,58 15.733,59 6.212,60 7.542,61 8.969,62 0.415,63 1.127,64 26.399,65 9.557,66 33.762,67 14.126,68 0.298,69 1.267,70 31.656,71 10.928,72 26.342,73 16.679,74 0.349,75 1.186,76 30.712,77 9.972,78 33.798,79 15.387,80 0.34,81 1.105,82 28.798,83 9.312,84 32.34,85 14.327,86 0.31,87 1.038,88 27.066,89 8.911,90 33.738,91 13.586,92 0.318,93 0.988,94 25.727,95 8.489,96 31.526,97 12.933,98 0.235,99 0.952,100 23.703,101 8.248,102 22.599,103 12.524,104 49,105 22,106 0.21,107 0.328,108 0.5,109 0.634,110 0.707,111 0.773,112 3.184,113 1.34,114 -4.59,115 -4.52,116 -4.25,121 30.6,122 1,123 14,127 3,161 1,176 13,179 1,180 1,183 2,185 2,187 11,192 1,197 2,200 9,206 4,211 3,214 8,219 4,224 2,227 7,232 4,237 2,239 7,244 2,249 2,251 7,256 2,261 2,264 7,269 2,274 2,277 6,281 967,282 15.883,283 15.883,284 15.883,285 15.883,286 15.883,287 15.728,288 8.334,289 11.128,290 16.114,291 10.881,292 10.881,293 10.881,294 10.881,295 10.881,296 10.578,297 6.257,298 5.381,299 11.211,300 4.703,301 4.001,302 2.977,303 2.181,304 1.746,305 1.351,306 3.821,312 1,313 695,314 4.69,325 2.654,326 17.921,329 1,330 0.83,331 0.83,332 0.6,333 1,334 0.83,335 0.5,336 0.8,337 49.5,338 369,339 3.659,340 3.637,341 5.035,342 3.32,343 2.382,344 2.828,345 2.186,346 6.092,347 2.207,348 2.961,349 2.032,350 3.96,351 2.959,352 1.96,353 1.961,354 0.366,355 3.916,356 1.957,357 2.849,358 1.96,359 3.845,360 2.839,361 1.846,362 1.849,364 3.675,365 1.833,366 2.683,367 1.839,368 3.683,369 2.662,370 1.683,371 1.683,373 3.317,374 1.647,375 2.618,376 1.78,377 3.566,378 2.576,379 1.588,380 1.611,382 3.057,383 1.565,384 2.42,385 1.634,386 3.373,387 2.384,388 1.401,389 1.414,391 2.711,392 1.372,393 2.136,394 1.366,395 3.103,396 2.09,397 1.123,398 1.13,400 2.144,401 1.08,402 1.831,403 1.063,404 2.831,405 1.782,406 0.831,407 0.831,409 1.536,410 0.784,411 1.73,412 1.025,413 2.573,414 1.628,415 0.652,416 0.672,418 1.109,419 0.632,420 1.449,421 0.689,422 2.291,423 1.364,424 0.399,425 0.408,427 0.706,428 0.381,429 1.09,430 0.35,431 2,432 1.009,433 0.052,434 0.053,436 0.093,437 0.049,438 0.774,439 0.102,440 1.715,441 0.673,442 -0.285,443 -0.285,445 -0.496,446 -0.271,447 0.715,448 -0.138,449 1.468,450 0.577,451 -0.426,452 -0.456,454 -0.712,455 -0.42,456 0.382,457 -0.377,458 1.282,459 0.297,460 -0.683,461 -0.713,463 -1.279,464 -0.665,465 0.081,466 -0.675,467 1,468 -0.019,469 -1,470 -1.033,472 -1.942,473 -0.975,474 10.9,475 0.474,476 0.106,477 0.005,478 14,479 0.609,480 1.5,481 0.065,482 12.5,483 0.543,484 27.646,485 1.202,486 30.5,487 0.492,488 6.332,489 0.275,490 1.712,491 0.074,492 9.596,493 0.417,494 0.107,496 0.046,501 0.874,502 1.66,503 1.24,504 1.589,505 0.744,506 1.473,507 0.697,508 1.404,509 1.255,510 1.435,511 0.586,512 1.42,513 0.734,514 1.002,515 0.888,516 0.992,517 0.633,518 0.964,519 1.073,520 0.969,521 0.986,522 0.954,523 1.032,524 0.957,525 1.16,526 0.936,527 1.015,528 0.941,529 1.113,530 0.954,531 1.167,532 0.992,533 1.025,534 0.997,535 1.138,536 0.996,537 1.261,538 0.95,539 1.081,540 0.96,541 1.244,542 0.996,543 0.831,544 1.016,545 0.978,546 1.026,547 0.817,548 1.022,549 1.5,550 0.033,551 0.667,552 0.375,553 0.24,554 0.167,555 0.082,556 0.062,557 0.049,558 0.04,559 6786,560 13123,561 1.86,562 62.9,563 25,564 6,567 2,569 6,572 1.643,573 1.792,574 3.991,575 0.235,582 77.564,583 1.251,584 1.953,585 2.977,586 3.774,587 4.208,588 4.603,589 3.447,590 4.089,591 4.49,592 4.143,593 1048.29,594 7.663,595 14896.7,600 369.16,601 0.808,602 4.488,603 0.068,604 0.003,605 0.03,606 0.018,607 0.012,608 0.009,609 0.005,610 0.004,611 0.003,612 0.003,613 0.154,614 0.33,615 0.88,616 3.447,617 117.469,618 -0.024,619 -0.109,620 -0.016,621 -0.079,622 -0.018,623 -0.05,624 0.206,625 -0.166,626 -0.169,627 -0.22,628 0.123,629 -0.243,630 0.01,631 -0.033,632 0.045,633 -0.009,634 0.008,635 0.019,636 -0.059,637 -0.003,638 -0.004,639 0.004,640 -0.049,641 0.007,642 -0.079,643 0.036,644 -0.018,645 0.018,646 -0.063,647 0.011,648 -0.071,649 -0.016,650 -0.025,651 -0.013,652 -0.036,653 -0.013,654 -0.12,655 0.019,656 -0.077,657 0.015,658 -0.097,659 -0.022,660 -0.034,661 -0.028,662 -0.028,663 -0.027,664 -0.031,665 -0.027,666 1.933,667 4.291,669 31.527,670 0.982,671 1.145,672 3.364,673 11.314,674 0.578,675 3.135,676 3.135,677 3.091,678 3.045,679 2.996,680 2.944,681 2.833,682 2.773,683 2.708,684 2.639,685 9.188,686 0.519,687 329.59,688 3.135,689 4.489,690 5.165,691 5.861,692 6.55,693 7.252,694 7.946,695 8.652,696 9.349,697 10.058,698 1.6,705 1,741 62,743 1,745 22,747 61,748 19,763 2,770 14,772 1,773 18,777 1,782 1,786 1,793 39,794 4,795 2,796 4,802 1,809 3,810 1,856 1,857 1,864 1,868 23,875 1,876 17,877 1,878 1,893 4.8,894 1,896 1,898 1,901 12.833,902 10.533,903 5.917,904 4.704,907 0.076,908 1.014,909 0.85,910 19.228,911 5.7,912 3.178,913 3.219,914 3.178,915 3.135,916 3.091,917 3.045,918 2.89,919 2.833,920 2.773,921 2.708,922 0.909,923 21,924 8.593,926 3.17,927 0.026,929 7.594,931 17.315,933 13.06,936 2.094,937 48.167,938 0.001,941 435.531,942 57.769,943 18.011,945 78.828,948 57.769,949 514.359,950 18.011,951 8.825,952 60.192,953 42.683,954 25.145,955 11,956 6.763,957 435.531,959 435.531,960 75.78,961 78.828,964 364.904,965 106.771,966 42.683,968 69.017,969 6.763,972 435.531,973 96.839,974 57.769,977 435.531,978 48.944,979 8.825,980 18.011,981 78.828,982 435.531,983 96.839,984 57.769,986 0.497,987 0.248,988 0.118,989 0.059,990 1,991 1,992 0.295,993 18,996 3.92,997 125.147,1000 104.042,1005 22.558,1006 19.605,1007 19.512,1009 96.839,1017 60.694,1018 590.139,1019 23,1024 11.291,1028 -0.266,1031 60.872,1032 71.015,1034 0.21,1035 0.328,1036 0.5,1037 0.634,1038 0.707,1039 0.773,1040 4.248,1041 0.831,1042 4.92,1043 2.144,1044 3.807,1045 3.892,1046 2.255,1047 5.273,1048 3.748,1049 5.159,1050 0.652,1051 6.18,1052 1.536,1053 1.946,1054 2.565,1055 1.784,1056 4.691,1057 1.822,1058 6.227,1059 0.399,1060 7.52,1061 1.109,1062 4.949,1063 5.198,1064 3.49,1065 8.111,1066 4.817,1067 7.316,1068 0.052,1069 8.915,1070 0.706,1071 3.932,1072 4.949,1073 3.59,1074 8.69,1075 3.621,1076 8.451,1077 -0.285,1078 10.353,1079 0.093,1080 6.263,1081 6.79,1082 4.905,1083 11.288,1084 6.039,1085 9.613,1086 -0.426,1087 11.826,1088 -0.496,1089 5.82,1090 7.162,1091 5.289,1092 12.466,1093 5.33,1094 10.802,1095 -0.683,1096 13.327,1097 -0.712,1098 7.688,1099 8.591,1100 6.387,1101 14.677,1102 7.346,1103 2.382,1104 -1,1105 14.853,1106 -1.279,1107 7.647,1108 9.302,1109 6.93,1110 16.161,1111 6.986,1112 1.96,1113 6.092,1114 16.399,1115 -1.942,1116 9.195,1117 10.526,1118 7.902,1119 18.181,1120 8.711,1121 1.846,1122 3.916,1123 17.96,1124 2.828,1125 9.44,1126 11.41,1127 8.539,1128 19.819,1129 8.616,1130 1.683,1131 3.675,1132 19.534,1133 1.961,1134 10.767,1135 12.537,1136 9.436,1137 21.741,1138 10.122,1139 1.588,1140 3.317,1141 21.118,1142 1.849,1143 11.213,1144 13.503,1145 10.13,1146 23.457,1147 10.229,1148 1.401,1149 3.057,1150 22.71,1151 1.683,1152 12.388,1153 14.584,1154 10.981,1155 25.328,1156 11.569,1157 1.123,1158 2.711,1159 24.307,1160 1.611,1161 12.973,1162 15.589,1163 11.71,1164 27.085,1165 11.833,1166 7357,1167 10337,1168 14.268,1169 35.836,1170 27.852,1171 28.97,1172 28.518,1173 27.829,1174 27.833,1175 28.881,1176 5.105,1177 56.714,1178 27.016,1179 4.639,1180 5.595,1181 5.026,1182 4.367,1183 4.363,1184 4.82,1185 3.889,1186 10.769,1187 4.168,1188 11.639,1189 1.266,1190 1.317,1191 1.296,1192 1.265,1193 1.265,1194 1.313,1195 0.232,1196 2.578,1197 1.228,1198 3.848,1199 3.911,1200 3.69,1201 3.723,1202 7.435,1203 3.704,1204 3.744,1205 3.804,1206 3.605,1207 3.599,1208 6.456,1209 3.583,1210 3.705,1211 3.775,1212 3.539,1213 3.546,1214 4.477,1215 3.534,1216 3.603,1217 3.668,1218 3.427,1219 3.453,1220 4.219,1221 3.436,1222 3.473,1223 3.53,1224 3.319,1225 3.268,1226 4.196,1227 3.264,1228 3.362,1229 3.435,1230 3.18,1231 3.12,1232 4.071,1233 3.137,1234 3.206,1235 3.292,1236 2.984,1237 3.002,1238 3.912,1239 2.984,1240 3.045,1241 3.122,1242 2.814,1243 2.8,1244 3.839,1245 2.792,1246 0.166,1247 0.165,1248 0.229,1249 0.151,1250 0.108,1251 3.659,1252 0.129,1253 3.637,1254 0.099,1255 5.035,1256 0.277,1257 3.32,1258 0.1,1259 2.382,1260 2.828,1261 2.186,1262 6.092,1263 2.207,1264 1.833,1265 1.773,1266 2.078,1267 1.987,1268 1.446,1269 2.022,1270 1.75,1271 1.689,1272 2.005,1273 1.93,1274 1.36,1275 1.954,1276 1.701,1277 1.632,1278 1.972,1279 1.897,1280 1.255,1281 1.925,1282 1.614,1283 1.551,1284 1.888,1285 1.807,1286 1.224,1287 1.836,1288 1.446,1289 1.382,1290 1.74,1291 1.684,1292 1.05,1293 1.698,1294 1.313,1295 1.244,1296 1.613,1297 1.592,1298 0.852,1299 1.605,1300 1.215,1301 1.13,1302 1.562,1303 1.465,1304 0.754,1305 1.501,1306 1.025,1307 0.947,1308 1.392,1309 1.315,1310 0.644,1311 1.34,1312 3.807,1314 4.89,1316 6.103,1318 7.376,1320 8.685,1322 2.103,1327 8.687,1328 18.473,1329 2.757,1330 5.123,1340 32.175,1341 77.564,1342 121.107,1343 184.58,1344 233.967,1345 260.896,1346 285.386,1347 119.73,1348 5.624,1349 58.56,1350 58.56,1352 10.739,1353 1,1354 1,1355 116.035,1356 127,1357 121,1358 0.42,1359 208.881,1360 371.99,1361 501.429,1362 1944,1364 17.012,1365 0.74,1366 0.665,1367 17.012,1368 15.285,1369 11.308,1370 0.514,1371 0.447,1372 9.735,1373 10.945,1374 9.538,1375 8.107,1376 11.308,1377 9.824,1378 7.986,1379 0.363,1380 0.29,1381 7.986,1382 6.382,1383 5.351,1384 0.255,1385 0.195,1386 5.351,1387 4.085,1388 3.574,1389 0.179,1390 0.128,1391 3.574,1392 2.565,1393 2.37,1394 0.125,1395 0.086,1396 2.37,1397 1.626,1398 0.729,1399 70.495,1400 0.265,1401 24.697,1402 0.988,1403 88,1404 231.954,1405 97.249,1406 211.638,1407 267.58,1408 198,1409 87,1410 168.296,1411 94.147,1412 166.095,1413 234.12,1414 156,1415 6.699}
{0 CHEMBL1834060,1 1.346,2 11.704,3 4.258,4 18.129,5 113.883,6 6.695,7 0.567,8 4.069,9 4.211,10 3.563,11 3.601,12 5.045,13 3.559,14 4.632,15 4.844,16 3.901,17 3.995,18 5.538,19 3.928,20 4.895,21 5.138,22 3.948,23 4.171,24 5.708,25 4.065,26 4.98,27 5.241,28 3.831,29 4.176,30 5.77,31 4.024,32 5.002,33 5.305,34 3.697,35 4.076,36 5.736,37 3.902,38 4.801,39 5.109,40 3.584,41 3.878,42 5.542,43 3.735,44 4.542,45 4.797,46 3.595,47 3.773,48 5.426,49 3.671,50 4.556,51 4.824,52 3.525,53 3.763,54 5.418,55 3.654,56 0.058,57 0.832,58 12.494,59 4.731,60 9.377,61 7.01,62 0.288,63 1.357,64 23.142,65 7.747,66 22.65,67 11.725,68 0.281,69 1.65,70 30.37,71 10.196,72 23.643,73 15.637,74 0.298,75 1.708,76 33.198,77 11.683,78 30.222,79 17.707,80 0.331,81 1.637,82 34.62,83 11.636,84 34.421,85 17.97,86 0.276,87 1.352,88 28.524,89 8.739,90 27.901,91 13.94,92 0.201,93 1.143,94 21.435,95 6.935,96 24.132,97 10.799,98 0.228,99 1.139,100 21.985,101 6.647,102 26.189,103 10.56,104 6,105 41,106 0.223,107 0.536,108 0.705,109 0.791,110 0.82,111 0.833,112 3.34,113 0.973,114 -5.22,115 -5.11,116 -4.78,121 40.7,122 2,127 5,129 1,144 8,145 3,147 1,149 1,152 1,176 11,179 3,180 4,183 1,185 2,187 15,191 1,197 2,200 12,206 2,209 2,211 3,214 7,218 2,219 4,224 3,227 4,232 5,237 1,239 3,244 12,247 1,251 3,256 7,264 1,269 7,274 2,277 2,281 1125,282 18.568,283 18.568,284 18.568,285 18.568,286 18.568,287 16.582,288 24.981,289 11.057,290 18.991,291 14.82,292 14.82,293 14.82,294 14.82,295 14.82,296 11.872,297 42.919,298 5.222,299 15.51,300 4.409,301 2.519,302 1.5,303 0.982,304 0.806,305 0.732,306 4.042,311 1,312 1,313 692,314 2.915,318 313.935,322 120.938,325 1.885,326 12.841,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 56.5,338 316,339 4.494,340 3.191,341 6.506,342 4.031,343 3.033,344 4.43,345 0.8,346 10.196,347 3.027,348 4.174,349 3.121,350 6.184,351 3.841,352 2.926,353 3.728,354 0.8,355 9.215,356 2.677,357 3.762,358 2.931,359 5.894,360 3.609,361 2.682,362 2.932,363 0.657,364 8.098,365 2.484,366 3.568,367 2.577,368 5.336,369 3.292,370 2.355,371 2.838,373 6.877,374 2.209,375 3.461,376 2.231,377 5.168,378 3.067,379 2.078,380 2.658,382 6.174,383 2.05,384 3.118,385 1.735,386 4.367,387 2.618,388 1.618,389 2.427,391 4.202,392 1.618,393 2.85,394 1.618,395 4.163,396 2.544,397 1.608,398 1.941,400 3.794,401 1.502,402 2.769,403 1.377,404 3.73,405 2.277,406 1.281,407 1.9,409 2.877,410 1.276,411 2.589,412 1.283,413 3.599,414 2.203,415 1.249,416 1.615,418 2.811,419 1.187,420 2.404,421 1.146,422 3.485,423 1.98,424 1,425 1.367,427 2.462,428 0.978,429 2.128,430 1.141,431 3.414,432 1.967,433 1,434 1.109,436 2.298,437 0.965,438 2,439 1.09,440 3.391,441 1.937,442 1,443 1,445 2.275,446 0.934,447 1.805,448 0.647,449 3.06,450 1.474,451 0.523,452 0.656,454 1.23,455 0.496,456 1.094,457 -0.106,458 2.509,459 0.694,460 -0.28,461 -0.361,463 -0.694,464 -0.272,465 0.882,466 -0.258,467 2.436,468 0.584,469 -0.373,470 -0.411,472 -0.911,473 -0.356,474 13,475 0.481,476 0.554,477 0.021,478 35,479 1.296,480 17,481 0.63,482 18,483 0.667,484 22.539,485 0.835,486 29,487 0.537,488 23.44,489 0.868,490 6.758,491 0.25,492 6.446,493 0.239,494 0.077,496 0.292,501 0.988,502 1.501,503 0.888,504 1.171,505 0.923,506 1.045,507 1.199,508 0.998,509 0.975,510 0.92,511 0.772,512 0.924,513 1.296,514 1.032,515 1.054,516 0.971,517 0.967,518 0.985,519 1.021,520 1.103,521 1.118,522 1.139,523 1.211,524 1.138,525 0.957,526 0.943,527 0.951,528 0.945,529 1.072,530 0.947,531 1.315,532 0.853,533 0.889,534 0.743,535 1.036,536 0.769,537 1.22,538 1.101,539 0.956,540 0.951,541 1.065,542 0.932,543 1.65,544 0.9,545 1.07,546 0.81,547 1.653,548 0.871,549 4.5,550 0.062,551 3.111,552 1.313,553 1.04,554 0.701,555 0.365,556 0.259,557 0.259,558 0.152,559 9824,560 19486,561 2.142,562 50,564 19,566 1,567 1,569 6,572 1.697,573 2.051,574 3.512,575 -0.382,577 1,582 72.665,583 1.346,584 3.236,585 4.255,586 4.773,587 4.949,588 5.023,589 2.967,590 4.208,591 4.728,592 3.694,593 1296.63,594 8.185,595 17089.8,597 1,599 1,600 310.764,601 1.218,602 4.706,603 0.15,604 0.003,605 0.076,606 0.031,607 0.03,608 0.023,609 0.013,610 0.009,611 0.01,612 0.006,613 0.351,614 0.33,615 1,616 0.63,617 135.621,618 0.044,619 -0.275,620 0.079,621 -0.091,622 0.011,623 -0.017,624 0.149,625 0.157,626 0.032,627 0.061,628 0.206,629 0.039,630 -0.115,631 0.037,632 -0.059,633 0.007,634 -0.031,635 -0.016,636 -0.009,637 -0.098,638 -0.138,639 -0.156,640 -0.112,641 -0.159,642 0.07,643 -0.016,644 0.041,645 0.003,646 -0.005,647 0.016,648 -0.091,649 0.096,650 0.124,651 0.174,652 0.023,653 0.171,654 0.01,655 -0.054,656 0.047,657 0.007,658 0.178,659 0.027,660 -0.27,661 0.154,662 -0.052,663 0.118,664 -0.21,665 0.065,666 0.846,667 1.747,668 0.815,669 24.988,670 0.986,671 1.131,672 3.987,673 15.896,674 0.656,675 3.434,676 3.738,677 4.007,678 4.234,679 4.466,680 4.477,681 4.595,682 4.635,683 4.762,684 4.762,685 6.947,686 0.609,687 361.54,688 3.434,689 4.963,690 5.808,691 6.671,692 7.529,693 8.395,694 9.256,695 10.123,696 10.986,697 11.854,698 9.3,701 1,703 1,704 1,708 2,714 2,715 9,716 2,720 3,722 17,734 1,736 1,741 54,743 17,744 2,745 30,747 57,748 22,749 14,750 3,751 7,756 4,757 5,763 2,770 1,772 14,773 8,790 1,793 27,794 5,795 1,796 5,802 5,808 0.75,823 1,829 4,833 1,855 1,859 3,864 2,868 27,876 5,877 1,880 1,881 2,901 13.167,902 10.133,903 5.944,904 3.421,907 3.452,908 1.453,909 0.994,910 5.443,911 11.081,912 3.676,913 4.248,914 4.826,915 5.386,916 5.93,917 6.091,918 6.452,919 6.784,920 7.173,921 7.191,922 0.875,923 42,924 9.98,926 4.138,927 0.026,929 7.414,931 19.801,933 16.355,936 1.914,937 51.667,939 1,940 1,941 306.049,942 125.595,943 57.83,948 125.595,949 306.049,950 57.83,951 17.65,952 10.529,953 75.81,954 63.353,955 23.628,956 4.227,957 294.278,959 306.049,960 183.425,964 235.422,965 70.627,968 42.25,969 89.594,970 51.582,972 306.049,973 57.83,974 125.595,977 306.049,978 23.087,979 108.756,980 18.011,981 33.571,982 306.049,983 57.83,984 125.595,986 0.577,987 0.338,988 0.18,989 0.097,990 20,991 8,992 0.088,993 5,994 1,995 1.091,996 4.007,997 227.011,998 0.091,999 22,1000 120.382,1005 18.058,1006 8.138,1007 4.165,1008 2.551,1009 57.83,1010 18.715,1011 9.241,1015 2.972,1017 18.011,1018 489.474,1019 38.5,1031 53.229,1032 61.059,1034 0.234,1035 0.562,1036 0.739,1037 0.829,1038 0.86,1039 0.873,1040 4.9,1041 1.281,1042 5.771,1043 3.794,1044 4.419,1045 4.934,1046 1.331,1047 6.55,1048 4.332,1049 6.074,1050 1.249,1051 7.309,1052 2.877,1053 3.892,1054 4.605,1055 0.57,1056 7.394,1057 3.747,1058 7.358,1059 1,1060 8.947,1061 2.811,1062 5.979,1063 7.102,1064 0.831,1065 10.468,1066 5.801,1067 8.677,1068 1,1069 10.647,1070 2.462,1071 6.293,1072 7.656,1073 0.479,1074 12.157,1075 6.064,1076 10.032,1077 1,1078 12.386,1079 2.298,1080 7.817,1081 9.607,1082 0.532,1083 14.72,1084 7.561,1085 11.411,1086 0.523,1087 14.151,1088 2.275,1089 8.528,1090 10.612,1091 0.346,1092 16.75,1093 8.236,1094 12.811,1095 -0.28,1096 15.935,1097 1.23,1098 9.806,1099 12.311,1100 0.342,1101 19.138,1102 9.49,1103 3.033,1104 -0.373,1105 17.732,1106 -0.694,1107 10.71,1108 13.552,1109 0.237,1110 21.314,1111 10.371,1112 2.926,1113 10.196,1114 19.54,1115 -0.911,1116 11.878,1117 15.131,1118 0.219,1119 23.64,1120 11.521,1121 2.682,1122 9.215,1123 21.355,1124 4.43,1125 12.876,1126 16.493,1127 0.158,1128 25.883,1129 12.506,1130 2.355,1131 8.098,1132 23.176,1133 3.728,1134 13.996,1135 18.018,1136 0.14,1137 28.189,1138 13.614,1139 2.078,1140 6.877,1141 25.003,1142 2.932,1143 15.04,1144 19.44,1145 0.104,1146 30.463,1147 14.651,1148 1.618,1149 6.174,1150 26.834,1151 2.838,1152 16.141,1153 20.94,1154 0.089,1155 32.765,1156 15.745,1157 1.608,1158 4.202,1159 28.668,1160 2.658,1161 17.208,1162 22.393,1163 0.068,1164 35.054,1165 16.809,1166 9234,1167 13160,1168 20.572,1169 35.404,1170 44.878,1171 44.808,1172 45.526,1173 44.719,1174 44.708,1175 57.198,1176 4.515,1177 125.017,1178 42.81,1179 5.494,1180 5.191,1181 6.195,1182 5.104,1183 5.033,1184 7.43,1185 1.457,1186 16.978,1187 5.027,1188 10.019,1189 1.496,1190 1.494,1191 1.518,1192 1.491,1193 1.49,1194 1.907,1195 0.15,1196 4.167,1197 1.427,1198 4.096,1199 4.121,1200 4.047,1201 4.054,1202 5.004,1203 4.05,1204 3.924,1205 3.989,1206 3.861,1207 3.729,1208 4.887,1209 3.753,1210 3.759,1211 3.826,1212 3.661,1213 3.583,1214 4.387,1215 3.594,1216 3.511,1217 3.58,1218 3.398,1219 3.412,1220 4.346,1221 3.402,1222 3.464,1223 3.526,1224 3.3,1225 3.309,1226 4.161,1227 3.295,1228 3.255,1229 3.329,1230 3.124,1231 3.11,1232 4.049,1233 3.104,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.848,1239 2.91,1240 2.937,1241 3.013,1242 2.823,1243 2.752,1244 3.719,1245 2.759,1246 0.15,1247 0.106,1248 0.217,1249 0.134,1250 0.101,1251 4.494,1252 0.148,1253 3.191,1254 0.027,1255 6.506,1256 0.34,1257 4.031,1258 0.101,1259 3.033,1260 4.43,1261 0.8,1262 10.196,1263 3.027,1264 2.081,1265 2.062,1266 2.166,1267 2.138,1268 1.326,1269 2.148,1270 1.838,1271 1.772,1272 2.022,1273 2.058,1274 1.321,1275 2.049,1276 1.71,1277 1.65,1278 1.861,1279 1.911,1280 1.03,1281 1.901,1282 1.518,1283 1.469,1284 1.773,1285 1.708,1286 0.881,1287 1.738,1288 1.479,1289 1.407,1290 1.681,1291 1.623,1292 0.825,1293 1.646,1294 1.245,1295 1.182,1296 1.513,1297 1.447,1298 0.73,1299 1.464,1300 1.153,1301 1.064,1302 1.484,1303 1.376,1304 0.589,1305 1.429,1306 0.934,1307 0.839,1308 1.417,1309 1.239,1310 0.469,1311 1.308,1312 4.111,1314 5.416,1316 6.929,1318 8.53,1320 10.175,1322 4.508,1328 4.832,1329 3.471,1332 0.599,1333 4.779,1340 32.902,1341 72.665,1342 174.748,1343 229.744,1344 257.744,1345 267.254,1346 271.254,1347 31.87,1348 7.629,1349 44.29,1350 44.29,1351 24,1352 12.399,1353 4.17,1354 3.248,1355 40.403,1356 113,1357 106,1358 0.172,1359 202.781,1360 340.9,1361 486.545,1362 23934,1364 18.64,1365 0.69,1366 0.596,1367 18.64,1368 16.098,1369 13.204,1370 0.44,1371 0.324,1372 9.621,1373 12.8,1374 9.332,1375 7.765,1376 13.204,1377 9.731,1378 11.688,1379 0.285,1380 0.179,1381 11.688,1382 7.35,1383 9.918,1384 0.184,1385 0.098,1386 9.918,1387 5.31,1388 8.186,1389 0.12,1390 0.054,1391 8.186,1392 3.67,1393 6.709,1394 0.078,1395 0.029,1396 6.709,1397 2.457,1398 0.275,1399 81.687,1400 0.22,1401 26.248,1402 0.457,1403 142,1404 324.913,1405 152.546,1406 324.089,1407 461.57,1408 308,1409 166,1410 354.254,1411 177.213,1412 361.657,1413 528.91,1414 342,1415 4.801}
{0 CHEMBL1834061,1 1.297,2 11.704,3 5.451,4 29.716,5 114.506,6 6.555,7 0.567,8 4.077,9 4.216,10 3.552,11 3.641,12 5.035,13 3.587,14 4.646,15 4.85,16 3.892,17 4.055,18 5.524,19 3.968,20 4.942,21 5.185,22 3.948,23 4.23,24 5.721,25 4.102,26 5.045,27 5.322,28 3.831,29 4.207,30 5.803,31 4.044,32 5.006,33 5.307,34 3.689,35 4.091,36 5.728,37 3.914,38 4.817,39 5.124,40 3.58,41 3.903,42 5.556,43 3.756,44 4.557,45 4.809,46 3.59,47 3.807,48 5.426,49 3.696,50 4.582,51 4.849,52 3.525,53 3.796,54 5.432,55 3.677,56 0.062,57 0.815,58 12.817,59 5.133,60 9.821,61 7.467,62 0.256,63 1.356,64 23.414,65 8.88,66 21.699,67 12.965,68 0.203,69 1.7,70 31.611,71 11.838,72 23.24,73 17.667,74 0.323,75 1.805,76 35.623,77 12.588,78 32.336,79 19.044,80 0.271,81 1.674,82 34.422,83 11.801,84 32.692,85 18.151,86 0.276,87 1.401,88 28.77,89 9.014,90 28.464,91 14.217,92 0.168,93 1.162,94 21.701,95 7.343,96 23.8,97 11.295,98 0.218,99 1.175,100 22.52,101 7.122,102 26.468,103 11.141,104 6,105 41,106 0.214,107 0.536,108 0.73,109 0.796,110 0.824,111 0.836,112 3.34,113 0.999,114 -6.22,115 -6.06,116 -5.63,121 41.8,122 2,123 2,124 2,127 3,144 8,145 3,147 1,149 1,152 1,176 16,179 3,180 4,183 1,185 2,187 20,192 1,197 2,200 16,206 7,209 2,211 3,214 7,219 6,224 3,227 4,232 7,237 3,239 5,244 11,249 1,251 4,256 7,261 1,264 4,269 6,274 2,277 7,281 1125,282 18.568,283 18.568,284 18.568,285 18.568,286 18.568,287 16.582,288 19.391,289 11.057,290 18.861,291 14.82,292 14.82,293 14.82,294 14.82,295 14.82,296 11.872,297 31.669,298 5.222,299 15.31,300 4.485,301 2.538,302 1.364,303 0.964,304 0.791,305 0.718,306 4.042,311 1,312 1,313 692,314 2.915,318 313.935,322 120.938,325 1.885,326 12.378,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 56,338 316,339 4.494,340 3.152,341 6.506,342 4.031,343 3.033,344 4.43,345 0.8,346 10.196,347 3.027,348 4.174,349 3.11,350 6.184,351 3.861,352 2.926,353 3.728,354 0.657,355 9.215,356 2.778,357 3.762,358 2.713,359 5.894,360 3.654,361 2.682,362 2.932,364 8.098,365 2.565,366 3.568,367 2.55,368 5.336,369 3.296,370 2.355,371 2.838,373 6.877,374 2.217,375 3.461,376 2.229,377 5.168,378 3.068,379 2.078,380 2.658,382 6.174,383 2.051,384 3.118,385 1.714,386 4.367,387 2.618,388 1.618,389 2.427,391 4.202,392 1.618,393 2.85,394 1.618,395 4.163,396 2.552,397 1.608,398 1.941,400 3.794,401 1.518,402 2.769,403 1.317,404 3.73,405 2.278,406 1.281,407 1.9,409 2.877,410 1.277,411 2.589,412 1.267,413 3.599,414 2.215,415 1.249,416 1.615,418 2.811,419 1.202,420 2.404,421 1.116,422 3.485,423 1.984,424 1,425 1.367,427 2.462,428 0.983,429 2.128,430 1.077,431 3.414,432 1.981,433 1,434 1.109,436 2.298,437 0.98,438 2,439 1.059,440 3.391,441 1.953,442 1,443 1,445 2.275,446 0.95,447 1.805,448 0.647,449 3.06,450 1.474,451 0.523,452 0.656,454 1.23,455 0.496,456 1.094,457 -0.106,458 2.509,459 0.694,460 -0.28,461 -0.361,463 -0.694,464 -0.272,465 0.882,466 -0.294,467 2.436,468 0.594,469 -0.373,470 -0.411,472 -0.911,473 -0.36,474 13.1,475 0.485,476 0.554,477 0.021,478 34.25,479 1.269,480 17,481 0.63,482 17.25,483 0.639,484 24.021,485 0.89,486 28.9,487 0.525,488 21.958,489 0.813,490 6.187,491 0.229,492 7.017,493 0.26,494 0.076,496 0.298,501 0.959,502 1.362,503 0.914,504 1.122,505 0.907,506 1.033,507 0.925,508 0.981,509 0.977,510 0.992,511 0.712,512 0.989,513 1.013,514 1.168,515 1.003,516 1.081,517 0.857,518 1.048,519 1.146,520 1.031,521 1.073,522 1.035,523 1.166,524 1.045,525 1.178,526 1.016,527 0.972,528 0.942,529 1.137,530 0.941,531 1.584,532 0.809,533 0.928,534 0.708,535 1.162,536 0.755,537 1.355,538 1.156,539 0.981,540 0.975,541 1.107,542 0.952,543 1.797,544 0.91,545 1.083,546 0.823,547 1.664,548 0.882,549 4.5,550 0.062,551 3.111,552 1.313,553 1.04,554 0.701,555 0.365,556 0.259,557 0.259,558 0.152,559 9824,560 18346,561 2.142,562 50.9,563 8,564 14,566 1,567 1,569 4,572 1.697,573 2.051,574 3.512,575 -0.419,582 71.327,583 1.297,584 3.243,585 4.417,586 4.817,587 4.99,588 5.063,589 2.967,590 4.208,591 4.728,592 3.694,593 1296.63,594 8.185,595 17089.8,600 317.975,601 1.218,602 4.706,603 0.15,604 0.003,605 0.076,606 0.031,607 0.03,608 0.023,609 0.013,610 0.009,611 0.01,612 0.006,613 0.351,614 0.33,615 0.88,616 0.63,617 135.621,618 0.047,619 -0.162,620 0.071,621 -0.036,622 0.043,623 0.01,624 0.269,625 0.148,626 0.023,627 0.023,628 0.243,629 0.006,630 -0.016,631 -0.137,632 -0.021,633 -0.078,634 0.05,635 -0.055,636 0.011,637 -0.034,638 -0.078,639 -0.078,640 -0.069,641 -0.084,642 -0.036,643 -0.063,644 0.024,645 -0.004,646 -0.059,647 0.012,648 -0.149,649 0.178,650 0.094,651 0.194,652 -0.032,653 0.169,654 -0.05,655 -0.1,656 0.028,657 -0.015,658 0.149,659 0.008,660 -0.27,661 0.159,662 -0.056,663 0.102,664 -0.192,665 0.051,666 0.819,667 1.765,668 0.815,669 24.988,670 0.982,671 1.127,672 4.989,673 24.894,674 0.657,675 3.434,676 3.738,677 4.007,678 4.234,679 4.466,680 4.477,681 4.595,682 4.635,683 4.762,684 4.762,685 6.947,686 0.607,687 360.55,688 3.434,689 4.963,690 5.808,691 6.671,692 7.529,693 8.395,694 9.256,695 10.123,696 10.986,697 11.854,698 7.3,703 1,704 1,708 2,714 2,715 9,716 2,720 3,722 17,734 1,736 1,741 55,743 17,744 2,745 30,747 58,748 23,749 14,750 3,751 7,756 4,757 5,763 2,767 2,768 1,770 2,772 14,773 9,774 2,793 28,794 4,795 1,796 4,802 4,808 0.75,823 1,829 4,833 1,859 3,864 2,868 27,876 5,877 1,880 2,881 1,901 13.167,902 10.267,903 5.944,904 3.599,907 3.452,908 1.453,909 0.989,910 5.471,911 11.081,912 3.676,913 4.248,914 4.826,915 5.386,916 5.93,917 6.091,918 6.452,919 6.784,920 7.173,921 7.191,922 0.875,923 42,924 9.996,926 4.167,927 0.026,929 7.389,931 19.96,933 16.752,936 1.889,937 51,941 317.82,942 126.453,943 54.706,948 126.453,949 317.82,950 54.706,951 17.65,952 11.386,953 75.81,954 63.353,955 20.503,956 4.227,957 306.049,959 317.82,960 181.159,964 270.735,965 47.084,968 39.983,969 89.594,970 51.582,972 317.82,973 54.706,974 126.453,977 317.82,978 23.945,979 105.632,980 18.011,981 33.571,982 317.82,983 54.706,984 126.453,986 0.577,987 0.338,988 0.18,989 0.097,990 20,991 8,992 0.086,993 5,994 1,995 1.091,996 4.007,997 227.011,998 0.091,999 22,1000 120.382,1005 18.095,1006 8.163,1007 4.181,1008 2.561,1009 54.706,1010 18.769,1011 9.278,1015 3.019,1017 18.011,1018 498.978,1019 38.5,1031 54.01,1032 61.976,1034 0.224,1035 0.561,1036 0.764,1037 0.833,1038 0.863,1039 0.876,1040 4.9,1041 1.281,1042 5.771,1043 3.794,1044 4.419,1045 4.934,1046 1.038,1047 6.55,1048 4.357,1049 6.074,1050 1.249,1051 7.309,1052 2.877,1053 3.892,1054 4.605,1055 0.325,1056 7.394,1057 3.798,1058 7.358,1059 1,1060 8.947,1061 2.811,1062 5.979,1063 7.102,1064 0.607,1065 10.468,1066 5.856,1067 8.677,1068 1,1069 10.647,1070 2.462,1071 6.293,1072 7.656,1073 0.268,1074 12.157,1075 6.145,1076 10.032,1077 1,1078 12.386,1079 2.298,1080 7.817,1081 9.607,1082 0.359,1083 14.72,1084 7.644,1085 11.411,1086 0.523,1087 14.151,1088 2.275,1089 8.528,1090 10.612,1091 0.188,1092 16.75,1093 8.337,1094 12.811,1095 -0.28,1096 15.935,1097 1.23,1098 9.806,1099 12.311,1100 0.214,1101 19.138,1102 9.593,1103 3.033,1104 -0.373,1105 17.732,1106 -0.694,1107 10.71,1108 13.552,1109 0.125,1110 21.314,1111 10.485,1112 2.926,1113 10.196,1114 19.54,1115 -0.911,1116 11.878,1117 15.131,1118 0.129,1119 23.64,1120 11.636,1121 2.682,1122 9.215,1123 21.355,1124 4.43,1125 12.876,1126 16.493,1127 0.082,1128 25.883,1129 12.625,1130 2.355,1131 8.098,1132 23.176,1133 3.728,1134 13.996,1135 18.018,1136 0.079,1137 28.189,1138 13.733,1139 2.078,1140 6.877,1141 25.003,1142 2.932,1143 15.04,1144 19.44,1145 0.054,1146 30.463,1147 14.771,1148 1.618,1149 6.174,1150 26.834,1151 2.838,1152 16.141,1153 20.94,1154 0.048,1155 32.765,1156 15.862,1157 1.608,1158 4.202,1159 28.668,1160 2.658,1161 17.208,1162 22.393,1163 0.035,1164 35.054,1165 16.925,1166 9234,1167 12800,1168 20.572,1169 36.16,1170 44.878,1171 44.816,1172 45.526,1173 44.708,1174 44.708,1175 57.198,1176 2.915,1177 125.017,1178 43.322,1179 5.494,1180 5.152,1181 6.195,1182 5.103,1183 5.033,1184 7.43,1185 1.457,1186 16.978,1187 5.027,1188 10.019,1189 1.496,1190 1.494,1191 1.518,1192 1.49,1193 1.49,1194 1.907,1195 0.097,1196 4.167,1197 1.444,1198 4.096,1199 4.122,1200 4.047,1201 4.055,1202 5.003,1203 4.05,1204 3.942,1205 4.001,1206 3.868,1207 3.798,1208 4.887,1209 3.8,1210 3.781,1211 3.839,1212 3.685,1213 3.63,1214 4.358,1215 3.644,1216 3.512,1217 3.581,1218 3.399,1219 3.412,1220 4.331,1221 3.403,1222 3.464,1223 3.526,1224 3.302,1225 3.309,1226 4.16,1227 3.296,1228 3.256,1229 3.33,1230 3.125,1231 3.11,1232 4.049,1233 3.104,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.848,1239 2.91,1240 2.96,1241 3.041,1242 2.831,1243 2.775,1244 3.712,1245 2.781,1246 0.15,1247 0.105,1248 0.217,1249 0.134,1250 0.101,1251 4.494,1252 0.148,1253 3.152,1254 0.027,1255 6.506,1256 0.34,1257 4.031,1258 0.101,1259 3.033,1260 4.43,1261 0.8,1262 10.196,1263 3.027,1264 2.081,1265 2.062,1266 2.166,1267 2.138,1268 1.48,1269 2.148,1270 1.899,1271 1.843,1272 2.098,1273 2.068,1274 1.324,1275 2.076,1276 1.735,1277 1.683,1278 1.863,1279 1.919,1280 1.037,1281 1.911,1282 1.518,1283 1.469,1284 1.776,1285 1.708,1286 0.882,1287 1.738,1288 1.479,1289 1.407,1290 1.682,1291 1.623,1292 0.825,1293 1.647,1294 1.246,1295 1.183,1296 1.513,1297 1.448,1298 0.734,1299 1.465,1300 1.153,1301 1.064,1302 1.485,1303 1.376,1304 0.593,1305 1.429,1306 0.94,1307 0.862,1308 1.417,1309 1.239,1310 0.484,1311 1.308,1312 4.111,1314 5.416,1316 6.929,1318 8.53,1320 10.175,1322 4.656,1328 5.321,1329 3.482,1332 1.593,1333 2.321,1340 33.407,1341 71.327,1342 178.387,1343 242.955,1344 264.955,1345 274.465,1346 278.465,1347 34.118,1348 7.629,1349 41.05,1350 41.05,1351 24,1352 12.399,1353 4.17,1354 3.248,1355 40.403,1356 113,1357 106,1358 0.172,1359 205.579,1360 347.2,1361 493.372,1362 23934,1364 18.64,1365 0.69,1366 0.601,1367 18.64,1368 16.228,1369 13.204,1370 0.44,1371 0.333,1372 9.91,1373 12.909,1374 9.603,1375 8.028,1376 13.204,1377 9.99,1378 11.688,1379 0.285,1380 0.19,1381 11.688,1382 7.802,1383 9.918,1384 0.184,1385 0.106,1386 9.918,1387 5.748,1388 8.186,1389 0.12,1390 0.059,1391 8.186,1392 3.998,1393 6.709,1394 0.078,1395 0.031,1396 6.709,1397 2.698,1398 0.275,1399 81.112,1400 0.22,1401 26.248,1402 0.457,1403 142,1404 305.268,1405 150.132,1406 307.696,1407 439.25,1408 292,1409 166,1410 337.789,1411 174.659,1412 346.827,1413 506.89,1414 328,1415 4.777}
{0 CHEMBL1834062,1 1.346,2 12.259,3 4.404,4 19.395,5 113.989,6 6.695,7 0.567,8 4.069,9 4.211,10 3.563,11 3.601,12 5.038,13 3.559,14 4.632,15 4.844,16 3.881,17 3.993,18 5.53,19 3.92,20 4.889,21 5.139,22 3.926,23 4.15,24 5.685,25 4.039,26 4.943,27 5.209,28 3.819,29 4.129,30 5.73,31 3.988,32 4.928,33 5.213,34 3.714,35 4.061,36 5.691,37 3.903,38 4.823,39 5.118,40 3.602,41 3.924,42 5.571,43 3.772,44 4.653,45 4.942,46 3.565,47 3.799,48 5.454,49 3.677,50 4.517,51 4.775,52 3.524,53 3.746,54 5.365,55 3.634,56 0.058,57 0.832,58 12.494,59 4.731,60 8.687,61 7.01,62 0.292,63 1.353,64 23.146,65 7.764,66 21.834,67 11.733,68 0.261,69 1.621,70 30.2,71 10.333,72 22.766,73 15.798,74 0.317,75 1.651,76 32.192,77 10.837,78 28.956,79 16.629,80 0.312,81 1.571,82 31.923,83 10.775,84 30.631,85 16.562,86 0.247,87 1.393,88 28.852,89 9.337,90 27.051,91 14.648,92 0.255,93 1.21,94 24.384,95 7.603,96 25.216,97 11.988,98 0.175,99 1.099,100 20.873,101 6.837,102 21.943,103 10.635,104 4,105 40,106 0.223,107 0.531,108 0.71,109 0.818,110 0.847,111 0.859,112 3.339,113 0.984,114 -5.22,115 -5.11,116 -4.78,121 40.7,122 1,123 1,127 6,144 8,145 3,147 1,149 1,152 1,176 12,179 3,180 3,183 1,185 2,187 14,191 1,192 1,197 2,200 12,206 2,209 2,211 3,214 7,218 2,219 3,224 3,227 4,232 6,237 1,239 3,244 10,247 1,251 3,256 9,264 1,269 7,274 1,277 1,281 1146,282 18.938,283 18.938,284 18.938,285 18.938,286 18.938,287 16.953,288 23.4,289 11.525,290 19.35,291 14.818,292 14.818,293 14.818,294 14.818,295 14.818,296 11.869,297 38.652,298 5.397,299 15.5,300 4.409,301 2.549,302 1.472,303 0.82,304 0.644,305 0.57,306 4.045,311 1,312 1,313 726,314 2.739,318 314.464,322 121.096,325 2.047,326 12.37,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 56.5,338 331,339 4.494,340 3.166,341 6.506,342 4.031,343 3.033,344 4.43,345 0.8,346 10.196,347 3.027,348 4.173,349 3.115,350 6.174,351 3.821,352 2.908,353 3.728,354 0.8,355 9.195,356 2.652,357 3.67,358 2.773,359 5.387,360 3.446,361 2.518,362 2.929,363 0.657,364 7.09,365 2.337,366 3.503,367 2.55,368 5.278,369 3.219,370 2.288,371 2.812,373 6.704,374 2.141,375 3.383,376 2.226,377 5.161,378 3.055,379 2.07,380 2.46,382 6.166,383 2.022,384 3.118,385 1.667,386 4.304,387 2.618,388 1.618,389 2.427,391 4.039,392 1.618,393 2.806,394 1.618,395 4.161,396 2.448,397 1.523,398 1.912,400 3.787,401 1.408,402 2.767,403 1.296,404 3.6,405 2.274,406 1.275,407 1.886,409 2.851,410 1.274,411 2.521,412 1.233,413 3.497,414 2.148,415 1.183,416 1.526,418 2.589,419 1.139,420 2.404,421 1.146,422 3.414,423 1.981,424 1,425 1.367,427 2.299,428 0.979,429 2.061,430 1.116,431 3.391,432 1.967,433 1,434 1.052,436 2.275,437 0.965,438 2,439 1.077,440 3.158,441 1.956,442 1,443 1,445 1.815,446 0.953,447 1.805,448 0.647,449 3.057,450 1.474,451 0.523,452 0.656,454 1.23,455 0.497,456 1.096,457 0.019,458 2.499,459 0.842,460 -0.118,461 -0.123,463 -0.218,464 -0.113,465 0.96,466 -0.106,467 2.435,468 0.69,469 -0.285,470 -0.371,472 -0.711,473 -0.277,474 13,475 0.481,476 0.427,477 0.016,478 35,479 1.296,480 17,481 0.63,482 18,483 0.667,484 21.844,485 0.809,486 29,487 0.537,488 23.331,489 0.864,490 6.759,491 0.25,492 6.572,493 0.243,494 0.038,496 0.254,501 0.988,502 1.501,503 0.888,504 1.171,505 0.852,506 1.045,507 1.231,508 0.984,509 1.017,510 0.937,511 0.831,512 0.953,513 1.143,514 1.062,515 0.992,516 0.983,517 0.893,518 0.974,519 1.162,520 1.034,521 1.091,522 1.041,523 1.218,524 1.056,525 1.052,526 0.977,527 1.023,528 0.991,529 1.164,530 1.002,531 1.156,532 0.999,533 0.946,534 0.91,535 1.042,536 0.908,537 1.29,538 0.861,539 0.898,540 0.762,541 1.12,542 0.786,543 1.272,544 1.073,545 0.984,546 0.943,547 1.22,548 0.937,549 4,550 0.074,551 2.667,552 1.063,553 1,554 0.667,555 0.323,556 0.227,557 0.213,558 0.127,559 9936,560 19650,561 2.165,562 50,563 3,564 20,566 1,567 1,569 2,572 1.697,573 2.104,574 3.563,575 -0.382,577 1,582 72.665,583 1.346,584 3.206,585 4.283,586 4.935,587 5.111,588 5.185,589 3.087,590 4.282,591 4.726,592 3.727,593 1308.06,594 8.182,595 17280.8,597 1,599 1,600 310.764,601 1.038,602 4.719,603 0.133,604 0.004,605 0.067,606 0.026,607 0.029,608 0.022,609 0.012,610 0.008,611 0.008,612 0.005,613 0.313,614 0.33,615 1,616 0.704,617 135.891,618 0.044,619 -0.275,620 0.079,621 -0.091,622 0.073,623 -0.017,624 0.116,625 0.171,626 -0.012,627 0.043,628 0.154,629 0.01,630 -0.038,631 -0.018,632 -0.003,634 0.039,635 0.002,636 -0.036,637 -0.02,638 -0.099,639 -0.077,640 -0.087,641 -0.091,642 0.018,643 -0.007,644 -0.032,645 -0.034,646 -0.063,647 -0.038,648 -0.052,649 -0.048,650 0.053,651 0.032,652 0.01,653 0.049,654 -0.034,655 0.13,656 0.115,657 0.167,658 0.086,659 0.157,660 -0.102,661 -0.04,662 0.014,663 0.021,664 0.016,665 0.027,666 0.839,667 1.748,668 0.815,669 25.794,670 0.986,671 1.131,672 3.987,673 15.896,674 0.656,675 3.434,676 3.714,677 3.989,678 4.234,679 4.466,680 4.454,681 4.575,682 4.654,683 4.745,684 4.762,685 7.04,686 0.609,687 361.54,688 3.434,689 4.949,690 5.79,691 6.648,692 7.503,693 8.366,694 9.225,695 10.09,696 10.952,697 11.817,698 9.3,701 1,703 1,704 1,708 2,714 2,715 9,716 2,720 3,722 17,734 1,736 1,741 54,743 17,744 2,745 30,747 57,748 22,749 14,750 3,751 7,756 4,757 5,763 1,770 1,772 14,773 8,790 1,793 27,794 5,795 1,796 5,802 5,808 0.75,823 1,829 4,833 1,855 1,859 3,864 1,868 27,876 7,877 1,881 2,901 12.833,902 9.8,903 6.083,904 3.537,907 3.452,908 1.453,909 1.003,910 5.736,911 11.081,912 3.676,913 4.234,914 4.818,915 5.386,916 5.93,917 6.086,918 6.446,919 6.783,920 7.166,921 7.186,922 1,923 41,924 9.985,926 4.126,927 0.026,929 7.401,931 19.861,933 16.339,936 1.901,937 51.333,939 1,940 1,941 306.049,942 121.41,943 57.83,948 121.41,949 306.049,950 57.83,951 8.825,952 15.169,953 75.81,954 63.353,955 23.628,956 4.227,957 294.278,959 306.049,960 179.24,964 282.506,965 23.542,968 38.065,969 89.594,970 51.582,972 306.049,973 57.83,974 121.41,977 306.049,978 27.727,979 99.931,980 18.011,981 33.571,982 306.049,983 57.83,984 121.41,986 0.563,987 0.333,988 0.187,989 0.102,990 19,991 7,992 0.105,993 6,994 1,995 1.091,996 4.055,997 225.112,998 0.091,999 22,1000 122.382,1005 18.058,1006 8.576,1007 4.331,1008 2.555,1009 57.83,1010 18.732,1011 9.243,1015 2.986,1017 18.011,1018 485.289,1019 38.5,1031 53.229,1032 61.059,1034 0.234,1035 0.557,1036 0.744,1037 0.858,1038 0.888,1039 0.901,1040 4.885,1041 1.275,1042 5.733,1043 3.787,1044 4.394,1045 4.92,1046 1.331,1047 6.497,1048 4.308,1049 6.046,1050 1.183,1051 7.253,1052 2.851,1053 3.761,1054 4.543,1055 0.57,1056 7.298,1057 3.61,1058 7.323,1059 1,1060 8.876,1061 2.589,1062 5.932,1063 7.087,1064 0.831,1065 10.39,1066 5.757,1067 8.637,1068 1,1069 10.562,1070 2.299,1071 6.176,1072 7.627,1073 0.479,1074 12.064,1075 5.95,1076 9.989,1077 1,1078 12.29,1079 2.275,1080 7.746,1081 9.595,1082 0.532,1083 14.637,1084 7.498,1085 11.368,1086 0.523,1087 14.046,1088 1.815,1089 8.417,1090 10.599,1091 0.346,1092 16.668,1093 8.139,1094 12.767,1095 -0.118,1096 15.824,1097 1.23,1098 9.718,1099 12.304,1100 0.342,1101 19.064,1102 9.419,1103 3.033,1104 -0.285,1105 17.617,1106 -0.218,1107 10.603,1108 13.546,1109 0.237,1110 21.247,1111 10.288,1112 2.908,1113 10.196,1114 19.422,1115 -0.711,1116 11.782,1117 15.128,1118 0.219,1119 23.581,1120 11.452,1121 2.518,1122 9.195,1123 21.236,1124 4.43,1125 12.773,1126 16.491,1127 0.158,1128 25.831,1129 12.436,1130 2.288,1131 7.09,1132 23.057,1133 3.728,1134 13.899,1135 18.016,1136 0.14,1137 28.144,1138 13.553,1139 2.07,1140 6.704,1141 24.885,1142 2.929,1143 14.942,1144 19.439,1145 0.104,1146 30.424,1147 14.593,1148 1.618,1149 6.166,1150 26.719,1151 2.812,1152 16.047,1153 20.94,1154 0.089,1155 32.732,1156 15.694,1157 1.523,1158 4.039,1159 28.556,1160 2.46,1161 17.115,1162 22.393,1163 0.068,1164 35.026,1165 16.762,1166 9335,1167 13285,1168 20.86,1169 35.404,1170 44.041,1171 43.895,1172 44.84,1173 43.915,1174 43.881,1175 56.367,1176 4.515,1177 120.474,1178 42.024,1179 5.494,1180 5.166,1181 6.276,1182 5.104,1183 5.033,1184 7.43,1185 1.457,1186 16.978,1187 5.027,1188 7.315,1189 1.468,1190 1.463,1191 1.495,1192 1.464,1193 1.463,1194 1.879,1195 0.15,1196 4.016,1197 1.401,1198 4.096,1199 4.12,1200 4.047,1201 4.054,1202 5.004,1203 4.05,1204 3.92,1205 3.986,1206 3.859,1207 3.724,1208 4.887,1209 3.748,1210 3.75,1211 3.818,1212 3.647,1213 3.572,1214 4.364,1215 3.581,1216 3.521,1217 3.598,1218 3.397,1219 3.412,1220 4.336,1221 3.402,1222 3.48,1223 3.535,1224 3.313,1225 3.339,1226 4.156,1227 3.321,1228 3.259,1229 3.334,1230 3.13,1231 3.111,1232 4.044,1233 3.106,1234 3.111,1235 3.206,1236 2.872,1237 2.941,1238 3.852,1239 2.91,1240 3.02,1241 3.119,1242 2.866,1243 2.786,1244 3.756,1245 2.798,1246 0.15,1247 0.106,1248 0.217,1249 0.134,1250 0.101,1251 4.494,1252 0.148,1253 3.166,1254 0.027,1255 6.506,1256 0.34,1257 4.031,1258 0.101,1259 3.033,1260 4.43,1261 0.8,1262 10.196,1263 3.027,1264 2.081,1265 2.062,1266 2.166,1267 2.138,1268 1.328,1269 2.148,1270 1.832,1271 1.767,1272 2.017,1273 2.054,1274 1.323,1275 2.045,1276 1.704,1277 1.642,1278 1.872,1279 1.906,1280 1.096,1281 1.898,1282 1.533,1283 1.472,1284 1.794,1285 1.733,1286 0.882,1287 1.766,1288 1.496,1289 1.436,1290 1.682,1291 1.627,1292 0.825,1293 1.649,1294 1.246,1295 1.184,1296 1.513,1297 1.451,1298 0.733,1299 1.467,1300 1.153,1301 1.064,1302 1.485,1303 1.376,1304 0.592,1305 1.429,1306 0.989,1307 0.891,1308 1.35,1309 1.276,1310 0.522,1311 1.304,1312 4.111,1314 5.398,1316 6.899,1318 8.494,1320 10.135,1322 2.237,1328 7.308,1329 3.473,1333 4.8,1340 32.902,1341 72.665,1342 173.138,1343 231.28,1344 266.499,1345 276.009,1346 280.009,1347 31.361,1348 7.629,1349 44.29,1350 44.29,1351 24,1352 12.364,1353 4.17,1354 3.248,1355 40.411,1356 114,1357 129,1358 0.17,1359 202.781,1360 340.9,1361 486.545,1362 24103,1364 18.476,1365 0.684,1366 0.59,1367 18.476,1368 15.935,1369 13.331,1370 0.444,1371 0.328,1372 9.73,1373 12.932,1374 9.499,1375 7.9,1376 13.331,1377 9.841,1378 11.339,1379 0.283,1380 0.177,1381 11.339,1382 7.062,1383 9.747,1384 0.184,1385 0.098,1386 9.747,1387 5.178,1388 8.259,1389 0.121,1390 0.055,1391 8.259,1392 3.719,1393 6.835,1394 0.079,1395 0.03,1396 6.835,1397 2.581,1398 0.273,1399 82.489,1400 0.219,1401 26.324,1402 0.451,1403 140,1404 322.913,1405 150.213,1406 321.569,1407 457.39,1408 306,1409 163,1410 348.901,1411 174.213,1412 355.949,1413 521.75,1414 337,1415 4.721}
{0 CHEMBL1834063,1 1.319,2 13.167,3 5.39,4 29.05,5 125.731,6 6.584,7 0.5,8 4.194,9 4.334,10 3.679,11 3.741,12 5.112,13 3.694,14 4.787,15 4.993,16 4.019,17 4.167,18 5.637,19 4.084,20 5.101,21 5.359,22 4.067,23 4.34,24 5.832,25 4.213,26 5.144,27 5.416,28 3.957,29 4.316,30 5.871,31 4.16,32 5.136,33 5.428,34 3.862,35 4.252,36 5.833,37 4.081,38 5.034,39 5.336,40 3.743,41 4.118,42 5.717,43 3.949,44 4.855,45 5.153,46 3.705,47 3.967,48 5.598,49 3.83,50 4.697,51 4.97,52 3.684,53 3.888,54 5.517,55 3.782,56 0.069,57 0.935,58 14.421,59 5.594,60 9.327,61 8.239,62 0.303,63 1.577,64 27.146,65 9.596,66 22.852,67 14.346,68 0.31,69 1.969,70 37.504,71 13.115,72 25.609,73 19.973,74 0.358,75 1.993,76 39.344,77 13.676,78 31.702,79 20.845,80 0.357,81 1.91,82 39.205,83 13.624,84 32.649,85 20.812,86 0.293,87 1.705,88 35.532,89 11.826,90 28.579,91 18.414,92 0.282,93 1.46,94 29.779,95 9.573,96 26.776,97 15.022,98 0.24,99 1.309,100 25.338,101 7.759,102 25.156,103 12.355,105 46,106 0.213,107 0.511,108 0.683,109 0.79,110 0.83,111 0.84,112 3.44,113 1.005,114 -5.85,115 -5.71,116 -5.32,121 41,123 5,127 5,129 1,144 8,145 3,147 1,149 1,152 1,176 15,179 3,180 4,183 1,185 2,187 18,191 1,192 2,197 2,200 14,206 3,209 2,211 3,214 7,218 2,219 4,224 3,227 4,232 7,237 1,239 3,244 13,247 1,251 3,256 11,264 1,269 9,274 2,277 2,281 1480,282 21.137,283 21.137,284 21.137,285 21.137,286 21.137,287 19.151,288 24.981,289 12.774,290 21.543,291 16.84,292 16.84,293 16.84,294 16.84,295 16.84,296 13.892,297 42.919,298 6.077,299 17.517,300 4.611,301 2.76,302 1.696,303 1.033,304 0.787,305 0.721,306 4.159,311 1,312 1,313 888,314 2.449,318 455.655,322 137.919,325 2.233,326 12.813,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 62.5,338 395,339 4.494,340 3.209,341 6.506,342 4.031,343 3.033,344 4.43,345 0.8,346 10.196,347 3.027,348 4.175,349 3.123,350 6.211,351 3.87,352 2.947,353 3.728,354 0.8,355 9.294,356 2.728,357 3.848,358 2.987,359 6.09,360 3.706,361 2.773,362 2.938,363 0.657,364 8.905,365 2.578,366 3.597,367 2.585,368 5.339,369 3.318,370 2.378,371 2.874,373 6.898,374 2.237,375 3.471,376 2.236,377 5.169,378 3.076,379 2.086,380 2.734,382 6.177,383 2.062,384 3.118,385 1.992,386 4.565,387 2.849,388 1.885,389 2.427,391 4.809,392 1.811,393 2.975,394 1.634,395 4.225,396 2.618,397 1.618,398 2.03,400 3.861,401 1.618,402 2.773,403 1.618,404 4.156,405 2.443,406 1.506,407 1.904,409 3.761,410 1.409,411 2.746,412 1.3,413 3.6,414 2.275,415 1.276,416 1.809,418 2.853,419 1.274,420 2.504,421 1.257,422 3.514,423 2.171,424 1.208,425 1.504,427 2.706,428 1.161,429 2.404,430 1.146,431 3.47,432 2,433 1,434 1.367,436 2.481,437 1,438 2.091,439 1.129,440 3.414,441 1.98,442 1,443 1.078,445 2.299,446 0.979,447 2,448 1.086,449 3.391,450 1.967,451 1,452 1,454 2.275,455 0.965,456 2,457 1,458 3.247,459 1.945,460 1,461 1,463 2.136,464 0.942,465 1.805,466 0.647,467 3.061,468 1.474,469 0.523,470 0.656,472 1.23,473 0.496,474 14.5,475 0.483,476 0.479,477 0.016,478 37,479 1.233,480 17,481 0.567,482 20,483 0.667,484 27.407,485 0.914,486 32.3,487 0.53,488 24.254,489 0.808,490 6.733,491 0.224,492 8.133,493 0.271,496 0.262,501 0.973,502 1.447,503 0.899,504 1.151,505 0.781,506 1.041,507 1.165,508 1.067,509 1.052,510 1.029,511 0.781,512 1.03,513 1.142,514 1.048,515 1,516 0.986,517 0.831,518 0.981,519 1.131,520 1.045,521 1.087,522 1.054,523 1.135,524 1.065,525 1.019,526 0.962,527 0.995,528 0.972,529 1.046,530 0.979,531 1.158,532 0.987,533 0.952,534 0.913,535 0.965,536 0.914,537 1.204,538 0.919,539 0.856,540 0.793,541 1.009,542 0.793,543 1.58,544 0.975,545 0.955,546 0.796,547 1.552,548 0.815,549 4,550 0.062,551 3.111,552 1.25,553 0.911,554 0.715,555 0.443,556 0.243,557 0.214,558 0.144,559 14294,560 26052,561 2.228,562 50.8,563 6,564 19,566 1,567 1,569 4,572 1.723,573 2.195,574 3.667,575 -0.415,582 80.489,583 1.319,584 3.17,585 4.234,586 4.898,587 5.144,588 5.209,589 3.083,590 3.79,591 4.88,592 3.853,593 1676.11,594 8.482,595 24216.8,600 361.775,601 0.837,602 4.881,603 0.118,604 0.002,605 0.068,606 0.027,607 0.023,608 0.02,609 0.014,610 0.008,611 0.007,612 0.005,613 0.29,614 0.33,615 0.75,617 156.897,618 0.056,619 -0.221,620 0.087,621 -0.058,622 0.15,623 0.005,624 0.133,625 0.088,626 -0.042,627 -0.025,628 0.192,629 -0.045,630 -0.032,631 -0.017,632 -0.005,633 -0.004,634 0.077,635 -0.002,636 -0.023,637 -0.041,638 -0.094,639 -0.087,640 -0.041,641 -0.095,642 0.035,643 -0.003,644 -0.004,645 -0.015,646 0.003,647 -0.013,648 -0.043,649 -0.039,650 0.045,651 0.027,652 0.04,653 0.041,654 0.041,655 0.055,656 0.155,657 0.136,658 0.167,659 0.152,660 -0.144,661 0.074,662 0.071,663 0.131,664 -0.067,665 0.122,666 0.818,667 1.814,668 0.933,669 32.711,670 0.984,671 1.129,672 4.621,673 21.349,674 0.655,675 3.555,676 3.85,677 4.143,678 4.394,679 4.635,680 4.625,681 4.779,682 4.875,683 5.004,684 5.056,685 7.71,686 0.606,687 401.61,688 3.555,689 5.081,690 5.932,691 6.795,692 7.656,693 8.522,694 9.387,695 10.254,696 11.12,697 11.988,698 8.2,701 1,703 1,704 1,708 2,714 2,715 9,716 2,720 3,722 17,734 1,736 1,741 61,743 17,744 2,745 34,747 65,748 25,749 14,750 3,751 7,756 5,757 6,767 6,770 6,772 14,773 11,793 31,794 5,795 1,796 5,802 5,808 0.8,823 1,829 5,833 1,855 1,859 4,868 30,876 10,877 1,880 1,881 2,901 13.667,902 10.633,903 6.611,904 4.087,907 3.46,908 1.425,909 1.013,910 6.031,911 11.603,912 3.773,913 4.317,914 4.888,915 5.439,916 5.972,917 6.122,918 6.483,919 6.82,920 7.208,921 7.248,922 0.889,923 47,924 11.14,926 4.711,927 0.026,929 7.339,931 22.469,933 19.211,936 1.839,937 55.167,941 353.133,942 120.617,943 57.83,948 120.617,949 353.133,950 57.83,952 23.201,953 75.81,954 63.353,955 23.628,956 4.227,957 341.362,959 353.133,960 178.448,964 306.049,965 47.084,968 37.272,969 89.594,970 51.582,972 353.133,973 57.83,974 120.617,977 353.133,978 35.76,979 91.106,980 18.011,981 33.571,982 353.133,983 57.83,984 120.617,986 0.571,987 0.339,988 0.189,989 0.103,990 23,991 8,992 0.077,993 5,994 1,995 1.071,996 4.389,997 266.595,998 0.071,999 28,1000 137.207,1005 19.628,1006 9.219,1007 4.568,1008 2.566,1009 57.83,1010 18.839,1011 9.376,1015 3.026,1017 18.011,1018 531.581,1019 42.5,1031 59.996,1032 68.889,1034 0.222,1035 0.535,1036 0.714,1037 0.826,1038 0.867,1039 0.878,1040 4.999,1041 1.506,1042 5.878,1043 3.861,1044 4.533,1045 5.004,1046 1.331,1047 6.65,1048 4.455,1049 6.149,1050 1.276,1051 7.403,1052 3.761,1053 3.892,1054 4.605,1055 0.57,1056 7.466,1057 3.747,1058 7.423,1059 1.208,1060 9.032,1061 2.853,1062 6.08,1063 7.136,1064 0.831,1065 10.568,1066 5.919,1067 8.732,1068 1,1069 10.726,1070 2.706,1071 6.33,1072 7.666,1073 0.479,1074 12.26,1075 6.105,1076 10.081,1077 1,1078 12.462,1079 2.481,1080 7.909,1081 9.623,1082 0.532,1083 14.833,1084 7.67,1085 11.455,1086 1,1087 14.227,1088 2.299,1089 8.587,1090 10.619,1091 0.346,1092 16.868,1093 8.3,1094 12.851,1095 1,1096 16.013,1097 2.275,1098 9.894,1099 12.318,1100 0.342,1101 19.259,1102 9.591,1103 3.033,1104 0.523,1105 17.813,1106 2.136,1107 10.783,1108 13.556,1109 0.237,1110 21.437,1111 10.448,1112 2.947,1113 10.196,1114 19.623,1115 1.23,1116 11.966,1117 15.135,1118 0.219,1119 23.761,1120 11.615,1121 2.773,1122 9.294,1123 21.441,1124 4.43,1125 12.959,1126 16.496,1127 0.158,1128 26.001,1129 12.585,1130 2.378,1131 8.905,1132 23.266,1133 3.728,1134 14.087,1135 18.019,1136 0.14,1137 28.304,1138 13.7,1139 2.086,1140 6.898,1141 25.095,1142 2.938,1143 15.129,1144 19.441,1145 0.104,1146 30.572,1147 14.729,1148 1.885,1149 6.177,1150 26.928,1151 2.874,1152 16.233,1153 20.941,1154 0.089,1155 32.869,1156 15.823,1157 1.618,1158 4.809,1159 28.765,1160 2.734,1161 17.3,1162 22.394,1163 0.068,1164 35.153,1165 16.881,1166 12968,1167 17706,1168 24.038,1169 39.927,1170 50.499,1171 50.472,1172 50.744,1173 50.503,1174 50.465,1175 62.954,1176 4.515,1177 139.76,1178 48.574,1179 5.494,1180 5.209,1181 6.308,1182 5.104,1183 5.033,1184 7.43,1185 1.457,1186 16.978,1187 5.027,1189 1.485,1190 1.484,1191 1.492,1192 1.485,1193 1.484,1194 1.852,1195 0.133,1196 4.111,1197 1.429,1198 4.097,1199 4.124,1200 4.048,1201 4.055,1202 5.004,1203 4.05,1204 3.953,1205 4.016,1206 3.873,1207 3.796,1208 4.887,1209 3.798,1210 3.835,1211 3.895,1212 3.744,1213 3.673,1214 4.385,1215 3.69,1216 3.654,1217 3.726,1218 3.519,1219 3.485,1220 4.347,1221 3.485,1222 3.492,1223 3.541,1224 3.388,1225 3.405,1226 4.179,1227 3.395,1228 3.265,1229 3.34,1230 3.141,1231 3.113,1232 4.115,1233 3.109,1234 3.135,1235 3.22,1236 2.98,1237 2.951,1238 3.855,1239 2.944,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.765,1245 2.91,1246 0.132,1247 0.094,1248 0.191,1249 0.119,1250 0.089,1251 4.494,1252 0.13,1253 3.209,1254 0.024,1255 6.506,1256 0.3,1257 4.031,1258 0.089,1259 3.033,1260 4.43,1261 0.8,1262 10.196,1263 3.027,1264 2.081,1265 2.062,1266 2.166,1267 2.138,1268 1.5,1269 2.148,1270 1.903,1271 1.843,1272 2.11,1273 2.085,1274 1.325,1275 2.092,1276 1.785,1277 1.727,1278 1.945,1279 1.977,1280 1.254,1281 1.973,1282 1.631,1283 1.565,1284 1.81,1285 1.832,1286 0.885,1287 1.837,1288 1.503,1289 1.461,1290 1.683,1291 1.63,1292 0.825,1293 1.651,1294 1.249,1295 1.185,1296 1.513,1297 1.456,1298 0.825,1299 1.471,1300 1.153,1301 1.064,1302 1.513,1303 1.376,1304 0.798,1305 1.429,1306 1.153,1307 1.064,1308 1.488,1309 1.376,1310 0.724,1311 1.429,1312 4.234,1314 5.533,1316 7.047,1318 8.65,1320 10.296,1328 12.025,1329 3.505,1332 0.801,1333 5.028,1340 36.955,1341 80.489,1342 193.397,1343 258.291,1344 298.755,1345 313.775,1346 317.775,1347 35.506,1348 8.143,1349 44.29,1350 44.29,1351 30,1352 12.533,1353 4.17,1354 3.248,1355 41.852,1356 141,1357 132,1358 0.143,1359 224.164,1360 380.44,1361 538.721,1362 47336,1364 20.175,1365 0.673,1366 0.588,1367 20.175,1368 17.633,1369 14.865,1370 0.437,1371 0.335,1372 11.283,1373 14.471,1374 11.078,1375 9.138,1376 14.865,1377 11.393,1378 12.842,1379 0.279,1380 0.186,1381 12.842,1382 8.549,1383 11.292,1384 0.182,1385 0.108,1386 11.292,1387 6.671,1388 9.596,1389 0.12,1390 0.062,1391 9.596,1392 4.965,1393 8.042,1394 0.079,1395 0.036,1396 8.042,1397 3.647,1398 0.23,1399 91.658,1400 0.204,1401 28.884,1402 0.374,1403 160,1404 342.913,1405 170.546,1406 341.771,1407 489.49,1408 326,1409 188,1410 376.254,1411 199.546,1412 383.09,1413 563.45,1414 364,1415 5.097}
{0 CHEMBL1834064,1 1.486,2 11.704,3 2.791,4 7.79,5 108.988,6 7.23,7 0.567,8 4.008,9 4.14,10 3.563,11 3.543,12 5.065,13 3.521,14 4.553,15 4.749,16 3.905,17 3.93,18 5.573,19 3.883,20 4.803,21 5.024,22 3.948,23 4.087,24 5.745,25 4.009,26 4.854,27 5.086,28 3.831,29 4.064,30 5.806,31 3.952,32 4.863,33 5.138,34 3.691,35 3.969,36 5.747,37 3.83,38 4.674,39 4.958,40 3.58,41 3.806,42 5.504,43 3.687,44 4.496,45 4.745,46 3.604,47 3.718,48 5.512,49 3.628,50 4.471,51 4.728,52 3.522,53 3.684,54 5.411,55 3.593,56 0.024,57 0.779,58 10.507,59 4.235,60 6.739,61 5.934,62 0.299,63 1.262,64 20.076,65 6.936,66 22.143,67 9.997,68 0.283,69 1.506,70 26.82,71 9.076,72 30.212,73 13.145,74 0.318,75 1.531,76 28.649,77 9.78,78 41.592,79 14.136,80 0.41,81 1.46,82 30.46,83 9.903,84 48.147,85 14.798,86 0.241,87 1.239,88 25.071,89 7.86,90 27.338,91 12.137,92 0.28,93 1.077,94 20.224,95 6.718,96 35.796,97 10.1,98 0.189,99 1.038,100 19.868,101 6.409,102 25.341,103 9.633,104 6,105 41,106 0.249,107 0.562,108 0.704,109 0.784,110 0.843,111 0.856,112 3.34,113 0.925,114 -4.56,115 -4.48,116 -4.22,121 42,122 1,127 5,144 8,145 3,147 1,149 1,152 1,160 1,176 11,179 4,180 4,183 1,185 2,187 14,191 1,197 2,200 12,206 2,209 2,211 3,214 7,218 3,219 3,224 3,227 4,232 5,237 1,239 3,243 2,244 10,247 1,251 3,256 7,264 1,269 8,272 1,274 1,277 1,281 1125,282 18.568,283 18.568,284 18.568,285 18.568,286 18.568,287 16.4,288 22.768,289 11.057,290 18.942,291 14.82,292 14.82,293 14.82,294 14.82,295 14.82,296 11.586,297 36.886,298 5.222,299 15.432,300 4.158,301 2.293,302 1.445,303 0.965,304 0.615,305 0.535,306 4.042,310 1,311 1,312 1,313 692,314 2.915,318 313.935,322 120.938,325 1.885,326 18.666,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 57.5,338 316,339 4.494,340 3.67,341 6.506,342 4.031,343 3.033,344 4.43,345 1.94,346 10.196,347 3.027,348 4.176,349 3.142,350 6.184,351 3.845,352 2.926,353 3.728,354 0.8,355 9.215,356 2.694,357 3.889,358 3.1,359 5.894,360 3.628,361 2.682,362 3.049,363 0.657,364 8.098,365 2.526,366 3.6,367 2.61,368 5.336,369 3.296,370 2.355,371 2.921,372 0.555,373 6.877,374 2.218,375 3.471,376 2.294,377 5.168,378 3.068,379 2.078,380 2.771,382 6.174,383 2.052,384 3.118,385 2.183,386 4.367,387 2.618,388 1.618,389 2.427,391 4.202,392 1.618,393 2.909,394 1.618,395 4.163,396 2.563,397 1.608,398 1.987,400 3.794,401 1.527,402 2.77,403 1.609,404 3.73,405 2.278,406 1.281,407 1.902,409 2.877,410 1.277,411 2.66,412 1.29,413 3.599,414 2.218,415 1.249,416 1.69,418 2.811,419 1.201,420 2.404,421 1.178,422 3.485,423 1.981,424 1,425 1.367,427 2.462,428 0.979,429 2.301,430 1.146,431 3.414,432 1.967,433 1,434 1.216,436 2.298,437 0.965,438 2,439 1.099,440 3.391,441 1.952,442 1,443 1,445 2.275,446 0.946,447 1.805,448 0.647,449 3.06,450 1.474,451 0.523,452 0.656,454 1.23,455 0.496,456 1.094,457 0.374,458 2.509,459 0.694,460 -0.28,461 -0.362,463 -0.694,464 -0.272,465 0.882,466 -0.106,467 2.436,468 0.592,469 -0.373,470 -0.417,472 -0.911,473 -0.358,474 12.833,475 0.475,476 0.554,477 0.021,478 36.75,479 1.361,480 18.5,481 0.685,482 18.25,483 0.676,484 20.247,485 0.75,486 28.567,487 0.571,488 25.732,489 0.953,490 7.369,491 0.273,492 5.834,493 0.216,494 0.065,496 0.296,501 0.794,502 1.48,503 0.798,504 1.135,505 0.577,506 0.99,507 0.851,508 0.96,509 0.919,510 0.906,511 0.564,512 0.909,513 1.214,514 1.035,515 1.049,516 0.967,517 1.091,518 0.98,519 1.209,520 1.122,521 1.206,522 1.158,523 1.329,524 1.181,525 1.006,526 0.928,527 1.033,528 0.945,529 1.104,530 0.987,531 0.904,532 0.948,533 0.908,534 0.846,535 0.505,536 0.858,537 0.707,538 1.004,539 0.866,540 0.917,541 0.492,542 0.905,543 1.042,544 0.941,545 0.929,546 0.857,547 0.762,548 0.861,549 4.5,550 0.062,551 3.111,552 1.313,553 1.04,554 0.701,555 0.365,556 0.259,557 0.259,558 0.152,559 9824,560 23787,561 2.142,562 46,564 18,566 1,567 1,568 3,572 1.697,573 2.051,574 3.512,575 -0.346,576 1,577 1,582 74.303,583 1.486,584 3.351,585 4.199,586 4.679,587 5.029,588 5.109,589 2.967,590 4.208,591 4.728,592 3.694,593 1296.63,594 8.185,595 17089.8,597 1,599 1,600 282.193,601 1.218,602 4.706,603 0.15,604 0.003,605 0.076,606 0.031,607 0.03,608 0.023,609 0.013,610 0.009,611 0.01,612 0.006,613 0.351,614 0.17,615 1,616 0.63,617 135.621,618 -0.012,619 -0.284,620 0.069,621 -0.096,622 -0.013,623 -0.02,624 0.155,625 0.187,626 0.021,627 0.056,628 0.09,629 0.026,630 -0.148,631 0.019,632 -0.085,633 0.004,634 -0.112,635 -0.026,636 -0.127,637 -0.105,638 -0.233,639 -0.19,640 -0.192,641 -0.222,642 0.017,643 0.017,644 -0.026,645 0.008,646 -0.099,647 -0.014,648 -0.06,649 0.02,650 0.091,651 0.098,652 0.022,653 0.116,654 0.222,655 0.01,656 0.114,657 0.045,658 0.261,659 0.062,660 -0.099,661 0.067,662 0.056,663 0.098,664 0.017,665 0.104,666 1.541,667 4.475,668 0.815,669 24.988,670 0.996,671 1.129,672 3.327,673 11.066,674 0.667,675 3.434,676 3.738,677 4.007,678 4.234,679 4.466,680 4.477,681 4.595,682 4.635,683 4.762,684 4.762,685 6.947,686 0.631,687 361.49,688 3.434,689 4.963,690 5.808,691 6.671,692 7.529,693 8.395,694 9.256,695 10.123,696 10.986,697 11.854,698 10,703 1,704 1,705 1,708 2,714 2,715 9,716 2,720 3,722 17,734 1,736 1,741 50,743 18,744 2,745 30,747 53,748 21,749 14,750 3,751 7,756 4,757 5,763 1,772 15,773 6,777 1,782 1,786 1,790 1,793 23,794 6,795 1,796 6,802 5,808 0.75,809 1,823 1,829 4,833 1,844 1,859 3,864 1,868 27,876 5,877 1,881 2,893 2,896 1,901 13.167,902 9.217,903 5.944,904 3.029,907 3.534,908 1.463,909 1.005,910 5.214,911 11.163,912 3.701,913 4.277,914 4.842,915 5.395,916 5.936,917 6.1,918 6.465,919 6.794,920 7.187,921 7.209,922 0.875,923 42,924 9.971,926 4.181,927 0.026,929 7.611,931 19.38,933 15.906,936 2.111,937 57,940 1,941 258.964,942 121.474,943 57.83,945 25.145,948 121.474,949 284.109,950 57.83,951 8.825,952 13.653,953 75.81,954 93.202,955 20.503,956 4.227,957 247.193,959 258.964,960 179.305,961 25.145,964 258.964,965 25.145,968 33.425,969 94.298,970 51.582,972 258.964,973 82.975,974 121.474,977 258.964,978 27.792,979 99.931,980 18.011,981 58.716,982 258.964,983 82.975,984 121.474,986 0.577,987 0.338,988 0.18,989 0.097,990 20,991 8,992 0.075,993 4,994 1,995 1.091,996 4.007,997 227.011,998 0.091,999 22,1000 120.382,1005 17.749,1006 7.931,1007 4.037,1008 2.491,1009 82.975,1010 18.414,1011 9.071,1015 2.756,1017 18.011,1018 463.414,1019 39.5,1024 11.475,1028 0.126,1031 49.789,1032 56.438,1034 0.263,1035 0.594,1036 0.744,1037 0.829,1038 0.891,1039 0.905,1040 4.922,1041 1.281,1042 5.771,1043 3.794,1044 4.419,1045 4.963,1046 2.253,1047 6.55,1048 4.341,1049 6.103,1050 1.249,1051 7.309,1052 2.877,1053 3.892,1054 4.663,1055 1.738,1056 7.394,1057 3.772,1058 7.392,1059 1,1060 8.947,1061 2.811,1062 5.979,1063 7.134,1064 3.009,1065 10.468,1066 5.819,1067 8.716,1068 1,1069 10.647,1070 2.462,1071 6.293,1072 7.702,1073 3.144,1074 12.157,1075 6.095,1076 10.073,1077 1,1078 12.386,1079 2.298,1080 7.817,1081 9.634,1082 4.139,1083 14.72,1084 7.585,1085 11.455,1086 0.523,1087 14.151,1088 2.275,1089 8.528,1090 10.641,1091 4.541,1092 16.75,1093 8.268,1094 12.855,1095 -0.28,1096 15.935,1097 1.23,1098 9.806,1099 12.33,1100 5.383,1101 19.138,1102 9.518,1103 3.033,1104 -0.373,1105 17.732,1106 -0.694,1107 10.71,1108 13.569,1109 5.912,1110 21.314,1111 10.403,1112 2.926,1113 10.196,1114 19.54,1115 -0.911,1116 11.878,1117 15.143,1118 6.67,1119 23.64,1120 11.55,1121 2.682,1122 9.215,1123 21.355,1124 4.43,1125 12.876,1126 16.503,1127 7.263,1128 25.883,1129 12.537,1130 2.355,1131 8.098,1132 23.176,1133 3.728,1134 13.996,1135 18.024,1136 7.976,1137 28.189,1138 13.642,1139 2.078,1140 6.877,1141 25.003,1142 3.049,1143 15.04,1144 19.445,1145 8.602,1146 30.463,1147 14.679,1148 1.618,1149 6.174,1150 26.834,1151 2.921,1152 16.141,1153 20.944,1154 9.292,1155 32.765,1156 15.771,1157 1.608,1158 4.202,1159 28.668,1160 2.771,1161 17.208,1162 22.396,1163 9.936,1164 35.054,1165 16.835,1166 9234,1167 14476,1168 20.572,1169 33.336,1170 44.959,1171 45.428,1172 45.526,1173 44.706,1174 44.708,1175 58.288,1176 7.906,1177 125.017,1178 43.054,1179 5.494,1180 5.67,1181 6.195,1182 5.104,1183 5.033,1184 7.43,1185 3.348,1186 16.978,1187 5.027,1188 10.019,1189 1.499,1190 1.514,1191 1.518,1192 1.49,1193 1.49,1194 1.943,1195 0.264,1196 4.167,1197 1.435,1198 4.095,1199 4.12,1200 4.047,1201 4.054,1202 7.428,1203 4.049,1204 3.919,1205 3.982,1206 3.862,1207 3.719,1208 5.003,1209 3.746,1210 3.744,1211 3.805,1212 3.665,1213 3.553,1214 4.887,1215 3.57,1216 3.499,1217 3.549,1218 3.397,1219 3.409,1220 4.354,1221 3.399,1222 3.409,1223 3.466,1224 3.288,1225 3.194,1226 4.282,1227 3.206,1228 3.252,1229 3.326,1230 3.122,1231 3.107,1232 4.143,1233 3.1,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.864,1239 2.91,1240 2.935,1241 3.013,1242 2.819,1243 2.751,1244 3.807,1245 2.757,1246 0.15,1247 0.122,1248 0.217,1249 0.134,1250 0.101,1251 4.494,1252 0.148,1253 3.67,1254 0.065,1255 6.506,1256 0.34,1257 4.031,1258 0.101,1259 3.033,1260 4.43,1261 1.94,1262 10.196,1263 3.027,1264 2.081,1265 2.062,1266 2.166,1267 2.138,1268 1.325,1269 2.148,1270 1.824,1271 1.762,1272 1.983,1273 2.049,1274 1.277,1275 2.032,1276 1.68,1277 1.623,1278 1.821,1279 1.891,1280 0.884,1281 1.875,1282 1.506,1283 1.464,1284 1.689,1285 1.648,1286 0.825,1287 1.662,1288 1.365,1289 1.303,1290 1.655,1291 1.599,1292 0.743,1293 1.618,1294 1.243,1295 1.181,1296 1.513,1297 1.446,1298 0.701,1299 1.463,1300 1.153,1301 1.064,1302 1.484,1303 1.376,1304 0.589,1305 1.429,1306 0.912,1307 0.839,1308 1.175,1309 1.146,1310 0.346,1311 1.158,1312 4.111,1314 5.416,1316 6.929,1318 8.53,1320 10.175,1322 1.615,1328 3.646,1329 3.417,1333 3.988,1340 31.563,1341 74.303,1342 167.558,1343 209.928,1344 233.928,1345 251.438,1346 255.438,1347 35.906,1348 7.629,1349 61.36,1350 61.36,1351 24,1352 12.399,1353 4.248,1354 3.392,1355 40.403,1356 113,1357 106,1358 0.172,1359 194.257,1360 329.75,1361 465.748,1362 23934,1364 18.64,1365 0.69,1366 0.571,1367 18.64,1368 15.429,1369 13.204,1370 0.44,1371 0.308,1372 9.123,1373 12.73,1374 8.903,1375 7.357,1376 13.204,1377 9.246,1378 11.688,1379 0.285,1380 0.164,1381 11.688,1382 6.727,1383 9.918,1384 0.184,1385 0.092,1386 9.918,1387 4.991,1388 8.186,1389 0.12,1390 0.051,1391 8.186,1392 3.453,1393 6.709,1394 0.078,1395 0.027,1396 6.709,1397 2.348,1398 0.275,1399 82.265,1400 0.22,1401 26.248,1402 0.457,1403 142,1404 378.649,1405 154.761,1406 370.88,1407 515.61,1408 350,1409 166,1410 385.242,1411 178.874,1412 390.449,1413 569.46,1414 369,1415 4.86}
{0 CHEMBL1834065,1 1.498,2 13.323,3 4.366,4 19.058,5 124.416,6 6.993,7 0.5,8 4.18,9 4.311,10 3.7,11 3.683,12 5.219,13 3.659,14 4.742,15 4.939,16 4.078,17 4.074,18 5.781,19 4.03,20 5.005,21 5.214,22 4.092,23 4.245,24 5.937,25 4.163,26 5.114,27 5.374,28 4.04,29 4.199,30 6.072,31 4.099,32 4.994,33 5.231,34 3.917,35 4.11,36 6.014,37 4.02,38 4.888,39 5.128,40 3.826,41 4.12,42 5.726,43 3.987,44 5.025,45 5.325,46 3.797,47 4.076,48 5.865,49 3.914,50 4.857,51 5.172,52 3.699,53 3.89,54 5.645,55 3.77,56 0.027,57 0.903,58 13.302,59 5.276,60 9.683,61 7.448,62 0.482,63 1.444,64 25.515,65 8.668,66 38.018,67 12.566,68 0.372,69 1.748,70 33.764,71 11.341,72 36.172,73 16.291,74 0.477,75 1.802,76 39.339,77 12.114,78 61.011,79 18.073,80 0.741,81 1.625,82 35.24,83 9.884,84 78.453,85 14.538,86 0.188,87 1.574,88 29.648,89 10.581,90 27.23,91 15.921,92 0.5,93 1.61,94 36.249,95 11.912,96 56.455,97 18.501,98 0.326,99 1.353,100 31.077,101 9.203,102 36.413,103 14.65,104 20,105 48,106 0.242,107 0.546,108 0.684,109 0.749,110 0.796,111 0.807,112 3.471,113 0.94,114 -4.85,115 -4.76,116 -4.47,121 40,122 3,127 5,132 1,144 8,145 3,147 1,149 1,152 1,161 1,176 11,179 6,180 5,183 1,185 2,187 17,191 1,197 2,200 12,206 8,209 2,211 3,214 7,218 4,219 2,224 3,227 4,232 5,237 1,239 3,243 4,244 11,247 1,251 3,256 7,264 1,269 15,272 2,281 1674,282 20.67,283 20.67,284 20.67,285 20.67,286 20.67,287 18.555,288 26.924,289 12.157,290 21.2,291 16.818,292 16.818,293 16.818,294 16.818,295 16.818,296 13.613,297 44.201,298 5.781,299 17.677,300 4.409,301 2.533,302 1.68,303 1.28,304 0.988,305 0.921,306 4.168,311 1,312 1,313 890,314 3.937,318 384.984,322 148.443,325 2.312,326 24.205,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 66.5,338 413,339 4.494,340 3.849,341 6.506,342 4.089,343 3.154,344 4.43,345 2.208,346 10.252,347 3.027,348 4.209,349 3.245,350 6.484,351 4.031,352 3.033,353 3.728,354 0.8,355 10.196,356 2.937,357 4.16,358 3.137,359 6.181,360 3.83,361 2.914,362 3.279,363 0.657,364 9.214,365 2.667,366 3.803,367 3.095,368 5.91,369 3.581,370 2.646,371 2.934,372 0.655,373 8.252,374 2.463,375 3.594,376 2.61,377 5.337,378 3.29,379 2.352,380 2.878,381 0.13,382 6.884,383 2.207,384 3.47,385 2.295,386 5.168,387 3.067,388 2.078,389 2.754,391 6.175,392 2.049,393 3.118,394 2.184,395 4.409,396 2.618,397 1.618,398 2.427,400 4.318,401 1.618,402 2.91,403 1.618,404 4.165,405 2.556,406 1.616,407 1.987,409 3.797,410 1.507,411 2.77,412 1.609,413 4.018,414 2.278,415 1.288,416 1.902,418 3.215,419 1.276,420 2.663,421 1.29,422 3.6,423 2.217,424 1.261,425 1.694,427 2.847,428 1.195,429 2.404,430 1.178,431 3.492,432 1.981,433 1.021,434 1.367,436 2.528,437 0.979,438 2.309,439 1.146,440 3.414,441 1.967,442 1,443 1.235,445 2.299,446 0.965,447 2,448 1.099,449 3.391,450 1.955,451 1,452 1,454 2.275,455 0.946,456 1.805,457 0.751,458 3.063,459 1.474,460 0.523,461 0.656,463 1.23,464 0.496,465 1.094,466 0.647,467 2.935,468 0.695,469 -0.271,470 -0.304,472 -0.679,473 -0.256,474 14.667,475 0.473,476 0.87,477 0.028,478 39.25,479 1.266,480 18.5,481 0.597,482 20.75,483 0.669,484 27.935,485 0.901,486 33.933,487 0.566,488 29.276,489 0.944,490 7.634,491 0.246,492 7.254,493 0.234,494 0.125,495 0.034,496 0.259,501 0.821,502 1.53,503 0.834,504 1.223,505 0.662,506 1.056,507 0.746,508 0.933,509 0.848,510 0.898,511 0.47,512 0.879,513 1.385,514 1.164,515 1.152,516 1.104,517 0.966,518 1.102,519 1.285,520 1.012,521 0.989,522 0.948,523 1.457,524 0.933,525 1.895,526 0.812,527 1.307,528 0.795,529 2.539,530 0.951,531 0.675,532 1.281,533 1.11,534 1.256,535 0.513,536 1.235,537 0.419,538 0.931,539 0.789,540 0.914,541 0.349,542 0.901,543 0.801,544 0.742,545 0.668,546 0.618,547 0.521,548 0.606,549 7,550 0.157,551 3.556,552 1.813,553 1.36,554 0.951,555 0.468,556 0.373,557 0.358,558 0.222,559 14404,560 33667,561 2.077,562 48.3,564 18,566 1,567 1,569 9,572 1.732,573 1.948,574 3.67,575 -0.361,577 1,582 89.883,583 1.498,584 3.374,585 4.227,586 4.627,587 4.919,588 4.985,589 3.112,590 4.518,591 4.926,592 3.904,593 1815.18,594 8.577,595 27120.7,597 1,600 354.413,601 1.501,602 4.881,603 0.206,604 0.006,605 0.074,606 0.039,607 0.032,608 0.025,609 0.013,610 0.011,611 0.011,612 0.007,613 0.424,614 0.17,615 1,616 1.02,617 164.26,618 -0.007,619 -0.292,620 0.071,621 -0.119,622 -0.051,623 -0.03,624 0.333,625 0.215,626 0.125,627 0.099,628 0.249,629 0.087,630 -0.179,631 -0.103,632 -0.166,633 -0.104,634 -0.146,635 -0.132,636 -0.07,637 -0.045,638 0.027,639 -0.003,640 -0.066,641 0.02,642 -0.27,643 0.215,644 -0.255,645 0.117,646 -0.406,647 -0.046,648 -0.055,649 -0.231,650 -0.178,651 -0.242,652 -0.028,653 -0.228,654 0.291,655 -0.016,656 0.19,657 0.043,658 0.271,659 0.091,660 0.031,661 0.172,662 0.339,663 0.3,664 0.146,665 0.361,666 1.932,667 5.268,668 0.71,669 35.613,670 0.996,671 1.132,672 3.618,673 13.091,674 0.651,675 3.555,676 3.892,677 4.094,678 4.344,679 4.554,680 4.564,681 4.691,682 4.796,683 4.934,684 4.905,685 7.994,686 0.614,687 419.58,688 3.555,689 5.106,690 5.938,691 6.817,692 7.662,693 8.54,694 9.391,695 10.268,696 11.122,697 11.998,698 8.3,703 1,704 1,705 1,708 2,714 2,715 9,716 2,720 3,722 17,734 1,736 1,741 60,743 18,744 2,745 34,747 63,748 24,749 14,750 3,751 7,756 4,757 5,763 3,772 15,773 9,774 1,777 1,782 1,786 1,790 1,793 29,794 7,795 1,796 7,802 5,808 0.75,809 2,823 1,829 4,833 1,856 1,859 3,864 3,868 31,876 5,877 1,878 1,881 2,882 1,893 3.3,896 1,898 1,901 15.917,902 11.633,903 6.653,904 3.612,907 3.516,908 1.444,909 0.966,910 6.399,911 11.438,912 3.795,913 4.369,914 4.888,915 5.443,916 5.956,917 6.118,918 6.48,919 6.817,920 7.212,921 7.242,922 0.889,923 47,924 11.48,926 4.808,927 0.026,929 7.621,931 22.224,933 18.148,936 2.121,937 65.75,940 1,941 329.591,942 141.183,943 57.83,945 36.145,948 141.183,949 365.736,950 57.83,951 26.476,952 13.653,953 75.81,954 88.498,955 31.503,956 10.99,957 317.82,959 329.591,960 199.013,961 36.145,964 223.651,965 142.085,968 51.075,969 96.356,970 51.582,972 329.591,973 93.975,974 141.183,977 329.591,978 29.85,979 117.582,980 18.011,981 69.716,982 329.591,983 93.975,984 141.183,986 0.586,987 0.32,988 0.174,989 0.093,990 23,991 10,992 0.095,993 6,994 1,995 1.091,996 4.301,997 271.487,998 0.091,999 22,1000 136.825,1005 21.54,1006 9.209,1007 5.518,1008 2.47,1009 93.975,1010 18.366,1011 9.127,1015 2.684,1017 18.011,1018 564.749,1019 43.5,1024 12.268,1028 -0.265,1031 59.767,1032 67.893,1034 0.254,1035 0.571,1036 0.716,1037 0.783,1038 0.833,1039 0.844,1040 5.045,1041 1.616,1042 5.948,1043 4.318,1044 4.575,1045 5.056,1046 2.485,1047 6.758,1048 4.478,1049 6.249,1050 1.288,1051 7.509,1052 3.797,1053 4.29,1054 4.868,1055 1.905,1056 7.818,1057 4.136,1058 7.556,1059 1.261,1060 9.175,1061 3.215,1062 6.217,1063 7.219,1064 3.552,1065 10.784,1066 6.015,1067 8.895,1068 1.021,1069 10.902,1070 2.847,1071 6.711,1072 7.825,1073 3.664,1074 12.604,1075 6.45,1076 10.264,1077 1,1078 12.667,1079 2.528,1080 8.148,1081 9.701,1082 4.959,1083 15.132,1084 7.846,1085 11.654,1086 1,1087 14.455,1088 2.299,1089 8.981,1090 10.715,1091 5.371,1092 17.237,1093 8.626,1094 13.059,1095 0.523,1096 16.26,1097 2.275,1098 10.225,1099 12.376,1100 6.458,1101 19.623,1102 9.832,1103 3.154,1104 -0.271,1105 18.077,1106 1.23,1107 11.213,1108 13.612,1109 7.028,1110 21.844,1111 10.771,1112 3.033,1113 10.252,1114 19.902,1115 -0.679,1116 12.378,1117 15.173,1118 7.994,1119 24.179,1120 11.899,1121 2.914,1122 10.196,1123 21.733,1124 4.43,1125 13.436,1126 16.528,1127 8.654,1128 26.45,1129 12.914,1130 2.646,1131 9.214,1132 23.569,1133 3.728,1134 14.571,1135 18.042,1136 9.549,1137 28.769,1138 14.013,1139 2.352,1140 8.252,1141 25.409,1142 3.279,1143 15.662,1144 19.46,1145 10.263,1146 31.063,1147 15.064,1148 2.078,1149 6.884,1150 27.253,1151 2.934,1152 16.787,1153 20.954,1154 11.116,1155 33.378,1156 16.152,1157 1.618,1158 6.175,1159 29.099,1160 2.878,1161 17.894,1162 22.404,1163 11.862,1164 35.683,1165 17.222,1166 13709,1167 21100,1168 22.652,1169 39.074,1170 51.594,1171 52.447,1172 51.443,1173 51.022,1174 51.007,1175 64.543,1176 8.9,1177 146.964,1178 48.665,1179 5.494,1180 5.849,1181 6.195,1182 5.167,1183 5.154,1184 7.43,1185 3.912,1186 17.034,1187 5.027,1188 15.362,1189 1.517,1190 1.543,1191 1.513,1192 1.501,1193 1.5,1194 1.898,1195 0.262,1196 4.322,1197 1.431,1198 4.096,1199 4.121,1200 4.048,1201 4.054,1202 7.433,1203 4.05,1204 3.921,1205 3.982,1206 3.864,1207 3.719,1208 5.004,1209 3.747,1210 3.769,1211 3.817,1212 3.695,1213 3.578,1214 4.887,1215 3.593,1216 3.665,1217 3.731,1218 3.528,1219 3.501,1220 4.565,1221 3.499,1222 3.494,1223 3.543,1224 3.391,1225 3.407,1226 4.353,1227 3.397,1228 3.276,1229 3.345,1230 3.176,1231 3.114,1232 4.262,1233 3.111,1234 3.19,1235 3.227,1236 3.09,1237 2.941,1238 4.14,1239 2.959,1240 3.111,1241 3.206,1242 2.866,1243 2.903,1244 3.858,1245 2.91,1246 0.132,1247 0.113,1248 0.191,1249 0.12,1250 0.093,1251 4.494,1252 0.13,1253 3.849,1254 0.065,1255 6.506,1256 0.302,1257 4.089,1258 0.089,1259 3.154,1260 4.43,1261 2.208,1262 10.252,1263 3.027,1264 2.081,1265 2.062,1266 2.166,1267 2.138,1268 1.325,1269 2.148,1270 1.821,1271 1.76,1272 1.979,1273 2.049,1274 1.272,1275 2.029,1276 1.706,1277 1.657,1278 1.938,1279 1.916,1280 1.117,1281 1.913,1282 1.646,1283 1.582,1284 1.813,1285 1.844,1286 0.883,1287 1.851,1288 1.504,1289 1.462,1290 1.683,1291 1.632,1292 0.825,1293 1.652,1294 1.249,1295 1.186,1296 1.513,1297 1.461,1298 0.733,1299 1.47,1300 1.153,1301 1.064,1302 1.485,1303 1.376,1304 0.59,1305 1.429,1306 1.043,1307 1.008,1308 1.417,1309 1.365,1310 0.469,1311 1.318,1312 4.234,1314 5.565,1316 7.083,1318 8.682,1320 10.321,1322 5.642,1328 3.208,1329 3.423,1330 5.469,1333 3.842,1334 -0.485,1340 36.858,1341 89.883,1342 202.419,1343 253.619,1344 277.619,1345 295.129,1346 299.129,1347 50.115,1348 7.921,1349 70.59,1350 70.59,1351 24,1352 12.541,1353 4.248,1354 3.392,1355 49.729,1356 150,1357 128,1358 0.16,1359 227.03,1360 390.44,1361 545.714,1362 35127,1364 21.847,1365 0.705,1366 0.592,1367 21.847,1368 18.337,1369 14.888,1370 0.438,1371 0.313,1372 10.504,1373 14.3,1374 10.14,1375 8.45,1376 14.888,1377 10.654,1378 14.186,1379 0.296,1380 0.181,1381 14.186,1382 8.688,1383 10.715,1384 0.182,1385 0.088,1386 10.715,1387 5.197,1388 9.221,1389 0.121,1390 0.048,1391 9.221,1392 3.647,1393 7.27,1394 0.077,1395 0.027,1396 7.27,1397 2.528,1398 0.258,1399 93.133,1400 0.21,1401 29.663,1402 0.417,1403 164,1404 444.384,1405 181.964,1406 429.982,1407 595.23,1408 404,1409 189,1410 448.515,1411 206.027,1412 453.714,1413 660.94,1414 425,1415 4.294}
{0 CHEMBL1834066,1 1.391,2 10.25,3 2.996,4 8.974,5 99.422,6 7.099,7 0.63,8 3.909,9 4.048,10 3.454,11 3.453,12 4.927,13 3.426,14 4.446,15 4.643,16 3.773,17 3.844,18 5.415,19 3.786,20 4.699,21 4.942,22 3.793,23 3.975,24 5.549,25 3.877,26 4.691,27 4.946,28 3.658,29 3.902,30 5.55,31 3.782,32 4.621,33 4.885,34 3.558,35 3.81,36 5.482,37 3.684,38 4.508,39 4.775,40 3.435,41 3.696,42 5.35,43 3.574,44 4.398,45 4.664,46 3.375,47 3.611,48 5.241,49 3.49,50 4.332,51 4.605,52 3.279,53 3.533,54 5.141,55 3.409,56 0.044,57 0.714,58 9.786,59 3.75,60 6.909,61 5.394,62 0.247,63 1.156,64 18.141,65 6.265,66 18.966,67 9.137,68 0.217,69 1.365,70 24.417,71 8.426,72 20.36,73 12.599,74 0.265,75 1.324,76 24.614,77 8.188,78 25.852,79 12.337,80 0.249,81 1.216,82 23.145,83 7.714,84 27.186,85 11.646,86 0.194,87 1.081,88 20.71,89 6.684,90 22.533,91 10.215,92 0.171,93 0.965,94 18.456,95 6.377,96 19.825,97 9.581,98 0.142,99 0.888,100 17.385,101 5.967,102 17.856,103 9.019,105 36,106 0.239,107 0.563,108 0.701,109 0.808,110 0.844,111 0.86,112 3.228,113 0.933,114 -4.55,115 -4.47,116 -4.21,121 42.2,127 5,144 8,145 3,147 1,149 1,152 1,176 11,179 3,180 2,183 1,185 2,187 14,195 1,197 2,200 12,206 2,209 2,211 3,214 7,219 2,222 2,224 3,227 4,232 5,237 1,239 3,244 7,248 1,249 1,251 3,256 7,264 1,269 6,274 1,281 760,282 16.913,283 16.913,284 16.913,285 16.913,286 16.913,287 14.928,288 21.627,289 10.336,290 17.283,291 13.386,292 13.386,293 13.386,294 13.386,295 13.386,296 10.437,297 36.669,298 4.926,299 13.986,300 4.101,301 2.217,302 1.411,303 0.789,304 0.578,305 0.489,306 3.937,310 1,311 1,312 1,313 548,314 2.236,318 263.882,322 101.283,325 1.5,326 11.934,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 50.5,338 246,339 4.494,340 3.145,341 6.506,342 4.031,343 3.033,344 4.43,345 0.8,346 10.196,347 3.027,348 4.169,349 3.104,350 6.168,351 3.802,352 2.89,353 3.727,354 0.657,355 9.174,356 2.633,357 3.627,358 2.604,359 5.341,360 3.34,361 2.402,362 2.927,363 0.4,364 6.905,365 2.252,366 3.479,367 2.246,368 5.169,369 3.078,370 2.088,371 2.794,373 6.177,374 2.064,375 3.118,376 1.981,377 4.395,378 2.696,379 1.769,380 2.427,382 4.375,383 1.636,384 2.961,385 1.618,386 4.163,387 2.618,388 1.618,389 2.043,391 3.797,392 1.618,393 2.77,394 1.506,395 3.603,396 2.281,397 1.319,398 1.903,400 2.889,401 1.278,402 2.665,403 1.286,404 3.553,405 2.236,406 1.269,407 1.723,409 2.813,410 1.215,411 2.404,412 1.149,413 3.43,414 1.98,415 1,416 1.367,418 2.394,419 0.978,420 2.193,421 1.146,422 3.39,423 1.967,424 1,425 1.163,427 2.298,428 0.965,429 2,430 1.092,431 3.247,432 1.923,433 1,434 1,436 2.136,437 0.921,438 1.805,439 0.647,440 3.058,441 1.474,442 0.523,443 0.655,445 1.229,446 0.496,447 1.093,448 -0.106,449 2.455,450 0.692,451 -0.282,452 -0.369,454 -0.704,455 -0.274,456 0.882,457 -0.37,458 2.398,459 0.437,460 -0.506,461 -0.577,463 -1.197,464 -0.475,465 0.792,466 -0.6,467 2.25,468 0.382,469 -0.618,470 -0.927,472 -1.478,473 -0.618,474 11.5,475 0.479,476 0.359,477 0.015,478 33.25,479 1.385,480 17,481 0.708,482 16.25,483 0.677,484 16.509,485 0.688,486 25.1,487 0.558,488 21.588,489 0.899,490 6.628,491 0.276,492 5.271,493 0.22,496 0.252,501 1.036,502 1.401,503 0.833,504 1.07,505 0.867,506 0.953,507 1.132,508 0.96,509 1.013,510 0.944,511 0.904,512 0.962,513 1.072,514 1.038,515 0.971,516 0.972,517 0.944,518 0.962,519 1.161,520 1.011,521 1.097,522 1.029,523 1.311,524 1.051,525 1.092,526 0.979,527 1.052,528 0.999,529 1.247,530 1.017,531 1.285,532 1.009,533 1.068,534 0.963,535 1.211,536 0.986,537 0.949,538 0.962,539 0.934,540 0.943,541 0.863,542 0.938,543 0.991,544 0.939,545 0.901,546 0.89,547 0.936,548 0.886,549 3,550 0.037,551 2.222,552 1,553 0.769,554 0.465,555 0.203,556 0.149,557 0.156,558 0.09,559 7157,560 15533,561 2.213,562 46.7,564 18,566 1,567 2,572 1.666,573 2.182,574 3.349,575 0.255,576 1,577 1,582 62.574,583 1.391,584 3.275,585 4.081,586 4.703,587 4.914,588 5.003,589 2.721,590 3.887,591 4.562,592 3.482,593 961.054,594 7.854,595 11466.9,597 1,599 1,600 247.133,601 0.811,602 4.56,603 0.111,604 0.002,605 0.062,606 0.028,607 0.026,608 0.017,609 0.008,610 0.006,611 0.007,612 0.005,613 0.273,614 0.33,615 1,617 114.848,618 -0.031,619 -0.211,620 0.068,621 -0.049,622 0.022,623 0.009,624 0.101,625 0.182,626 -0.06,627 0.016,628 0.077,629 -0.03,630 -0.041,631 -0.02,633 0.003,634 -0.003,635 0.006,636 -0.052,637 -0.004,638 -0.113,639 -0.075,640 -0.159,641 -0.096,642 -0.007,643 0.008,644 -0.062,645 -0.043,646 -0.102,647 -0.056,648 -0.175,649 -0.022,650 -0.075,651 -0.013,652 -0.135,653 -0.029,654 0.028,655 0.003,656 0.05,657 0.032,658 0.138,659 0.042,660 -0.044,661 0.007,662 0.087,663 0.088,664 0.059,665 0.1,666 0.862,667 1.667,668 0.917,669 18.306,670 0.991,671 1.129,672 3.318,673 11.007,674 0.669,675 3.332,676 3.611,677 3.892,678 4.143,679 4.369,680 4.304,681 4.419,682 4.489,683 4.595,684 4.575,685 6.122,686 0.629,687 319.45,688 3.332,689 4.844,690 5.687,691 6.544,692 7.399,693 8.261,694 9.121,695 9.984,696 10.845,697 11.709,698 11.1,700 1,703 1,704 1,708 2,714 2,715 9,716 2,720 3,722 17,734 1,736 1,741 45,743 17,744 2,745 27,747 48,748 19,749 14,750 3,751 7,756 4,757 5,772 14,773 5,789 1,790 1,793 21,794 5,795 2,796 5,802 5,808 0.75,823 1,829 4,833 1,853 1,859 3,868 24,876 5,877 2,881 1,901 11,902 7.85,903 5.333,904 2.737,907 3.443,908 1.469,909 1.03,910 4.475,911 10.785,912 3.597,913 4.174,914 4.777,915 5.358,916 5.909,917 6.054,918 6.412,919 6.743,920 7.126,921 7.117,922 0.857,923 36,924 8.853,926 3.702,927 0.026,929 7.451,931 17.446,933 14.396,936 1.951,937 46.833,940 1,941 223.651,942 107.944,943 72.717,948 107.944,949 223.651,950 72.717,952 10.529,953 93.821,954 63.353,955 20.503,956 4.227,957 211.88,959 223.651,960 180.661,964 223.651,968 39.486,969 89.594,970 51.582,972 223.651,973 72.717,974 107.944,977 223.651,978 23.087,979 87.982,980 36.022,981 33.571,982 223.651,983 72.717,984 107.944,986 0.566,987 0.335,988 0.19,989 0.104,990 18,991 6,992 0.083,993 4,994 1,995 1.091,996 3.795,997 194.314,998 0.091,999 22,1000 104.039,1005 15.218,1006 7.058,1007 3.465,1008 2.546,1009 72.717,1010 18.63,1011 9.083,1015 2.946,1017 36.022,1018 404.312,1019 35.5,1031 44.578,1032 50.813,1034 0.253,1035 0.596,1036 0.743,1037 0.856,1038 0.895,1039 0.911,1040 4.798,1041 1.269,1042 5.624,1043 2.889,1044 4.29,1045 4.86,1046 1.145,1047 6.385,1048 4.208,1049 5.965,1050 1,1051 7.14,1052 2.813,1053 3.611,1054 4.477,1055 0.325,1056 7.182,1057 3.485,1058 7.244,1059 1,1060 8.761,1061 2.394,1062 5.82,1063 7.053,1064 0.634,1065 10.297,1066 5.66,1067 8.563,1068 1,1069 10.45,1070 2.298,1071 6.043,1072 7.598,1073 0.268,1074 11.992,1075 5.847,1076 9.921,1077 0.523,1078 12.184,1079 2.136,1080 7.639,1081 9.579,1082 0.364,1083 14.576,1084 7.415,1085 11.306,1086 -0.282,1087 13.949,1088 1.229,1089 8.306,1090 10.587,1091 0.188,1092 16.625,1093 8.061,1094 12.713,1095 -0.506,1096 15.735,1097 -0.704,1098 9.622,1099 12.297,1100 0.215,1101 19.028,1102 9.353,1103 3.033,1104 -0.618,1105 17.538,1106 -1.197,1107 10.51,1108 13.541,1109 0.125,1110 21.221,1111 10.231,1112 2.89,1113 10.196,1114 19.351,1115 -1.478,1116 11.7,1117 15.125,1118 0.129,1119 23.56,1120 11.403,1121 2.402,1122 9.174,1123 21.174,1124 4.43,1125 12.695,1126 16.489,1127 0.082,1128 25.814,1129 12.394,1130 2.088,1131 6.905,1132 23.003,1133 3.727,1134 13.828,1135 18.015,1136 0.079,1137 28.13,1138 13.516,1139 1.769,1140 6.177,1141 24.838,1142 2.927,1143 14.875,1144 19.438,1145 0.054,1146 30.413,1147 14.562,1148 1.618,1149 4.375,1150 26.678,1151 2.794,1152 15.984,1153 20.939,1154 0.048,1155 32.722,1156 15.666,1157 1.319,1158 3.797,1159 28.521,1160 2.427,1161 17.056,1162 22.392,1163 0.035,1164 35.017,1165 16.739,1166 6615,1167 9853,1168 19.068,1169 30.12,1170 39.816,1171 39.956,1172 40.045,1173 39.828,1174 39.824,1175 52.317,1176 3.715,1177 108.769,1178 38.168,1179 5.494,1180 5.145,1181 6.308,1182 5.103,1183 5.033,1184 7.43,1185 1.457,1186 16.978,1187 5.027,1189 1.475,1190 1.48,1191 1.483,1192 1.475,1193 1.475,1194 1.938,1195 0.138,1196 4.028,1197 1.414,1198 4.095,1199 4.119,1200 4.046,1201 4.054,1202 5.004,1203 4.049,1204 3.904,1205 3.97,1206 3.85,1207 3.707,1208 4.887,1209 3.734,1210 3.696,1211 3.77,1212 3.58,1213 3.507,1214 4.381,1215 3.515,1216 3.493,1217 3.542,1218 3.389,1219 3.406,1220 4.342,1221 3.396,1222 3.262,1223 3.337,1224 3.138,1225 3.112,1226 4.15,1227 3.107,1228 3.111,1229 3.206,1230 2.873,1231 2.941,1232 3.867,1233 2.91,1234 2.988,1235 3.082,1236 2.866,1237 2.765,1238 3.795,1239 2.78,1240 2.902,1241 2.979,1242 2.766,1243 2.688,1244 3.523,1245 2.698,1246 0.166,1247 0.116,1248 0.241,1249 0.149,1250 0.112,1251 4.494,1252 0.164,1253 3.145,1254 0.03,1255 6.506,1256 0.378,1257 4.031,1258 0.112,1259 3.033,1260 4.43,1261 0.8,1262 10.196,1263 3.027,1264 2.081,1265 2.062,1266 2.166,1267 2.138,1268 1.325,1269 2.148,1270 1.813,1271 1.75,1272 1.977,1273 2.038,1274 1.249,1275 2.023,1276 1.652,1277 1.585,1278 1.815,1279 1.866,1280 0.883,1281 1.859,1282 1.504,1283 1.461,1284 1.683,1285 1.631,1286 0.825,1287 1.651,1288 1.247,1289 1.184,1290 1.513,1291 1.453,1292 0.732,1293 1.468,1294 1.153,1295 1.064,1296 1.485,1297 1.376,1298 0.59,1299 1.429,1300 0.929,1301 0.85,1302 1.196,1303 1.22,1304 0.36,1305 1.221,1306 0.878,1307 0.788,1308 1.17,1309 1.099,1310 0.247,1311 1.126,1312 4.007,1314 5.293,1316 6.797,1318 8.395,1320 10.038,1328 4.618,1329 6.789,1333 2.222,1340 28.321,1341 62.574,1342 147.385,1343 183.624,1344 211.624,1345 221.133,1346 225.133,1347 24.938,1348 7.342,1349 53.08,1350 53.08,1351 24,1352 12.256,1353 4.17,1354 3.248,1355 33.969,1356 90,1357 78,1358 0.185,1359 174.004,1360 289,1361 416.329,1362 16623,1364 16.192,1365 0.675,1366 0.566,1367 16.192,1368 13.573,1369 11.899,1370 0.441,1371 0.311,1372 8.289,1373 11.528,1374 8.141,1375 6.731,1376 11.899,1377 8.393,1378 10.168,1379 0.282,1380 0.166,1381 10.168,1382 5.971,1383 8.809,1384 0.184,1385 0.091,1386 8.809,1387 4.383,1388 7.508,1389 0.121,1390 0.05,1391 7.508,1392 3.096,1393 6.281,1394 0.081,1395 0.027,1396 6.281,1397 2.141,1398 0.292,1399 73.785,1400 0.229,1401 23.599,1402 0.498,1403 126,1404 303.601,1405 135.519,1406 302.713,1407 430.31,1408 288,1409 147,1410 327.915,1411 157.047,1412 334.455,1413 489.76,1414 317,1415 4.757}
{0 CHEMBL1834067,1 1.471,2 12.259,3 2.992,4 8.953,5 111.009,6 6.991,7 0.567,8 4.047,9 4.182,10 3.569,11 3.559,12 5.077,13 3.534,14 4.596,15 4.795,16 3.885,17 3.952,18 5.562,19 3.897,20 4.855,21 5.094,22 3.931,23 4.116,24 5.715,25 4.018,26 4.906,27 5.162,28 3.829,29 4.094,30 5.743,31 3.965,32 4.914,33 5.194,34 3.724,35 4,36 5.762,37 3.864,38 4.745,39 5.023,40 3.605,41 3.845,42 5.608,43 3.722,44 4.564,45 4.832,46 3.567,47 3.749,48 5.431,49 3.645,50 4.504,51 4.76,52 3.541,53 3.711,54 5.457,55 3.609,56 0.049,57 0.805,58 11.665,59 4.453,60 8.794,61 6.376,62 0.3,63 1.3,64 21.762,65 7.219,66 23.624,67 10.611,68 0.329,69 1.558,70 28.971,71 9.759,72 27.61,73 14.702,74 0.289,75 1.583,76 30.75,77 10.421,78 29.158,79 15.777,80 0.385,81 1.492,82 32.162,83 10.142,84 41.921,85 15.433,86 0.355,87 1.274,88 27.154,89 8.193,90 37.218,91 12.721,92 0.228,93 1.127,94 22.079,95 6.933,96 24.25,97 10.791,98 0.28,99 1.058,100 20.69,101 6.639,102 33.717,103 10.243,104 4,105 40,106 0.246,107 0.562,108 0.712,109 0.825,110 0.856,111 0.868,112 3.339,113 0.945,114 -4.23,115 -4.17,116 -3.94,121 40.4,127 7,144 8,145 3,147 1,149 1,152 1,176 11,179 3,180 2,183 1,185 2,187 14,191 1,195 1,197 2,200 12,206 2,209 2,211 3,214 7,218 2,219 2,224 3,227 4,232 5,235 1,237 1,239 3,244 8,247 1,251 3,256 7,259 2,264 1,269 7,281 1146,282 18.938,283 18.938,284 18.938,285 18.938,286 18.938,287 16.953,288 22.71,289 11.525,290 19.391,291 14.818,292 14.818,293 14.818,294 14.818,295 14.818,296 11.869,297 37.88,298 5.397,299 15.566,300 4.23,301 2.335,302 1.437,303 0.76,304 0.577,305 0.5,306 4.045,311 1,312 1,313 726,314 2.739,318 314.464,322 121.096,325 2.047,326 16.874,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 57.5,338 331,339 4.494,340 3.166,341 6.506,342 4.031,343 3.033,344 4.43,345 0.8,346 10.196,347 3.027,348 4.173,349 3.116,350 6.174,351 3.821,352 2.908,353 3.728,354 0.8,355 9.195,356 2.652,357 3.67,358 2.779,359 5.387,360 3.445,361 2.518,362 2.929,363 0.657,364 7.09,365 2.335,366 3.503,367 2.553,368 5.278,369 3.218,370 2.288,371 2.812,373 6.704,374 2.138,375 3.383,376 2.226,377 5.161,378 3.055,379 2.07,380 2.46,382 6.166,383 2.02,384 3.118,385 1.703,386 4.304,387 2.618,388 1.618,389 2.427,391 4.039,392 1.618,393 2.806,394 1.618,395 4.161,396 2.443,397 1.523,398 1.912,400 3.787,401 1.398,402 2.767,403 1.514,404 3.6,405 2.274,406 1.275,407 1.886,409 2.851,410 1.273,411 2.521,412 1.29,413 3.497,414 2.128,415 1.183,416 1.526,418 2.589,419 1.113,420 2.404,421 1.18,422 3.414,423 1.979,424 1,425 1.367,427 2.299,428 0.977,429 2.061,430 1.146,431 3.391,432 1.967,433 1,434 1.052,436 2.275,437 0.965,438 2,439 1.1,440 3.158,441 1.914,442 1,443 1,445 1.815,446 0.908,447 1.805,448 0.647,449 3.057,450 1.474,451 0.523,452 0.656,454 1.23,455 0.497,456 1.096,457 0.237,458 2.499,459 0.8,460 -0.118,461 -0.123,463 -0.218,464 -0.107,465 0.96,466 -0.106,467 2.435,468 0.689,469 -0.285,470 -0.371,472 -0.711,473 -0.277,474 12.833,475 0.475,476 0.427,477 0.016,478 35.25,479 1.306,480 17,481 0.63,482 18.25,483 0.676,484 20.804,485 0.771,486 29.167,487 0.561,488 24.371,489 0.903,490 7.091,491 0.263,492 6.24,493 0.231,494 0.026,496 0.257,501 1.005,502 1.488,503 0.858,504 1.139,505 0.933,506 1.007,507 1.144,508 0.978,509 1.034,510 0.924,511 0.885,512 0.952,513 0.935,514 1.03,515 1.001,516 0.968,517 0.758,518 0.984,519 0.836,520 1.097,521 1.07,522 1.12,523 0.742,524 1.116,525 1.141,526 0.927,527 1.016,528 0.929,529 1.228,530 0.954,531 1.204,532 0.954,533 1.002,534 0.859,535 1.193,536 0.898,537 0.909,538 0.96,539 0.911,540 0.863,541 0.649,542 0.869,543 0.819,544 0.986,545 0.935,546 0.913,547 0.65,548 0.924,549 4,550 0.074,551 2.667,552 1.063,553 1,554 0.667,555 0.323,556 0.227,557 0.213,558 0.127,559 9936,560 22898,561 2.165,562 48.1,564 22,566 1,567 2,572 1.697,573 2.104,574 3.563,575 0.231,576 1,577 1,582 76.478,583 1.471,584 3.365,585 4.263,586 4.941,587 5.124,588 5.2,589 3.087,590 4.282,591 4.726,592 3.727,593 1308.06,594 8.182,595 17280.8,597 1,599 1,600 296.423,601 1.038,602 4.719,603 0.133,604 0.004,605 0.067,606 0.026,607 0.029,608 0.022,609 0.012,610 0.008,611 0.008,612 0.005,613 0.313,614 0.33,615 1,616 0.704,617 135.891,618 -0.054,619 -0.263,620 0.059,621 -0.063,622 -0.062,623 -0.003,624 -0.027,625 0.188,626 -0.065,627 0.055,628 -0.038,629 -0.003,630 -0.018,631 0.022,632 -0.036,633 0.019,634 -0.021,635 -0.007,636 -0.012,637 -0.082,638 -0.106,639 -0.142,640 -0.045,641 -0.136,642 -0.053,643 0.02,644 -0.012,645 0.016,646 -0.114,647 0.007,648 -0.072,649 0.009,650 0.007,651 0.076,652 -0.098,653 0.054,654 -0.029,655 0.058,656 0.072,657 0.087,658 0.026,659 0.094,660 0.126,661 0.038,662 0.046,663 0.051,664 0.196,665 0.044,666 1.288,667 3.069,668 0.815,669 25.794,670 0.994,671 1.132,672 2.996,673 8.977,674 0.656,675 3.434,676 3.714,677 3.989,678 4.234,679 4.466,680 4.454,681 4.575,682 4.654,683 4.745,684 4.762,685 7.04,686 0.617,687 363.51,688 3.434,689 4.949,690 5.79,691 6.648,692 7.503,693 8.366,694 9.225,695 10.09,696 10.952,697 11.817,698 9.6,701 1,703 1,704 1,708 2,714 2,715 9,716 2,720 3,722 17,734 1,736 1,741 52,743 17,744 2,745 30,747 55,748 21,749 14,750 3,751 7,756 4,757 5,763 1,772 14,773 7,790 1,793 25,794 6,795 2,796 6,802 5,808 0.75,809 1,810 1,823 1,829 4,833 1,855 1,857 1,859 3,868 27,875 1,876 7,877 1,881 2,893 1.9,894 1,901 12.833,902 9,903 6.083,904 3.137,907 3.452,908 1.453,909 0.983,910 5.707,911 11.081,912 3.676,913 4.234,914 4.818,915 5.386,916 5.93,917 6.086,918 6.446,919 6.783,920 7.166,921 7.186,922 1,923 41,924 9.97,926 4.152,927 0.026,929 7.549,931 19.562,933 16.095,936 2.049,937 55.333,940 1,941 270.735,942 110.05,943 57.83,945 42.683,948 110.05,949 313.419,950 57.83,952 12.634,953 118.493,954 63.353,955 23.628,956 4.227,957 258.964,959 270.735,960 167.881,961 42.683,964 270.735,966 42.683,968 26.705,969 89.594,970 51.582,972 270.735,973 100.514,974 110.05,977 270.735,978 25.193,979 91.106,980 18.011,981 76.254,982 270.735,983 100.514,984 110.05,986 0.563,987 0.333,988 0.187,989 0.102,990 19,991 7,992 0.109,993 6,994 1,995 1.091,996 4.055,997 225.112,998 0.091,999 22,1000 122.382,1005 18.021,1006 8.55,1007 4.315,1008 2.516,1009 100.514,1010 18.542,1011 9.144,1015 2.859,1017 60.694,1018 481.299,1019 38.5,1031 51.672,1032 58.853,1034 0.258,1035 0.59,1036 0.748,1037 0.867,1038 0.899,1039 0.912,1040 4.885,1041 1.275,1042 5.733,1043 3.787,1044 4.394,1045 4.92,1046 1.331,1047 6.497,1048 4.302,1049 6.046,1050 1.183,1051 7.253,1052 2.851,1053 3.761,1054 4.543,1055 0.57,1056 7.298,1057 3.61,1058 7.323,1059 1,1060 8.876,1061 2.589,1062 5.932,1063 7.087,1064 0.831,1065 10.39,1066 5.753,1067 8.637,1068 1,1069 10.562,1070 2.299,1071 6.176,1072 7.627,1073 0.479,1074 12.064,1075 5.95,1076 9.989,1077 1,1078 12.29,1079 2.275,1080 7.746,1081 9.595,1082 0.532,1083 14.637,1084 7.495,1085 11.368,1086 0.523,1087 14.046,1088 1.815,1089 8.417,1090 10.599,1091 0.346,1092 16.668,1093 8.138,1094 12.767,1095 -0.118,1096 15.824,1097 1.23,1098 9.718,1099 12.304,1100 0.342,1101 19.064,1102 9.417,1103 3.033,1104 -0.285,1105 17.617,1106 -0.218,1107 10.603,1108 13.546,1109 0.237,1110 21.247,1111 10.288,1112 2.908,1113 10.196,1114 19.422,1115 -0.711,1116 11.782,1117 15.128,1118 0.219,1119 23.581,1120 11.451,1121 2.518,1122 9.195,1123 21.236,1124 4.43,1125 12.773,1126 16.491,1127 0.158,1128 25.831,1129 12.435,1130 2.288,1131 7.09,1132 23.057,1133 3.728,1134 13.899,1135 18.016,1136 0.14,1137 28.144,1138 13.552,1139 2.07,1140 6.704,1141 24.885,1142 2.929,1143 14.942,1144 19.439,1145 0.104,1146 30.424,1147 14.593,1148 1.618,1149 6.166,1150 26.719,1151 2.812,1152 16.047,1153 20.94,1154 0.089,1155 32.732,1156 15.693,1157 1.523,1158 4.039,1159 28.556,1160 2.46,1161 17.115,1162 22.393,1163 0.068,1164 35.026,1165 16.762,1166 9335,1167 14265,1168 20.86,1169 34.097,1170 44.041,1171 44.125,1172 44.84,1173 43.944,1174 43.881,1175 56.367,1176 4.515,1177 120.474,1178 41.843,1179 5.494,1180 5.166,1181 6.276,1182 5.104,1183 5.033,1184 7.43,1185 1.457,1186 16.978,1187 5.027,1188 7.315,1189 1.468,1190 1.471,1191 1.495,1192 1.465,1193 1.463,1194 1.879,1195 0.15,1196 4.016,1197 1.395,1198 4.095,1199 4.12,1200 4.047,1201 4.054,1202 6.456,1203 4.049,1204 3.918,1205 3.983,1206 3.858,1207 3.72,1208 5.003,1209 3.746,1210 3.741,1211 3.808,1212 3.641,1213 3.554,1214 4.887,1215 3.566,1216 3.499,1217 3.551,1218 3.395,1219 3.409,1220 4.356,1221 3.399,1222 3.419,1223 3.483,1224 3.261,1225 3.2,1226 4.312,1227 3.203,1228 3.254,1229 3.327,1230 3.123,1231 3.107,1232 4.147,1233 3.101,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.87,1239 2.91,1240 2.949,1241 3.024,1242 2.836,1243 2.752,1244 3.807,1245 2.76,1246 0.15,1247 0.106,1248 0.217,1249 0.134,1250 0.101,1251 4.494,1252 0.148,1253 3.166,1254 0.027,1255 6.506,1256 0.34,1257 4.031,1258 0.101,1259 3.033,1260 4.43,1261 0.8,1262 10.196,1263 3.027,1264 2.081,1265 2.062,1266 2.166,1267 2.138,1268 1.325,1269 2.148,1270 1.827,1271 1.763,1272 1.998,1273 2.052,1274 1.309,1275 2.039,1276 1.687,1277 1.625,1278 1.829,1279 1.897,1280 0.95,1281 1.883,1282 1.507,1283 1.464,1284 1.696,1285 1.664,1286 0.878,1287 1.675,1288 1.384,1289 1.315,1290 1.663,1291 1.614,1292 0.825,1293 1.634,1294 1.243,1295 1.181,1296 1.513,1297 1.447,1298 0.728,1299 1.463,1300 1.153,1301 1.064,1302 1.484,1303 1.376,1304 0.589,1305 1.429,1306 0.912,1307 0.839,1308 1.175,1309 1.171,1310 0.34,1311 1.168,1312 4.111,1314 5.398,1316 6.899,1318 8.494,1320 10.135,1327 9.069,1328 5.294,1329 3.44,1333 4.468,1340 32.09,1341 76.478,1342 174.981,1343 221.694,1344 256.913,1345 266.423,1346 270.423,1347 33.863,1348 7.629,1349 64.52,1350 64.52,1351 24,1352 12.364,1353 4.17,1354 3.248,1355 40.411,1356 114,1357 129,1358 0.17,1359 197.185,1360 332.39,1361 472.89,1362 24103,1364 18.476,1365 0.684,1366 0.57,1367 18.476,1368 15.382,1369 13.331,1370 0.444,1371 0.315,1372 9.317,1373 12.844,1374 9.15,1375 7.534,1376 13.331,1377 9.45,1378 11.339,1379 0.283,1380 0.17,1381 11.339,1382 6.786,1383 9.747,1384 0.184,1385 0.095,1386 9.747,1387 5.054,1388 8.259,1389 0.121,1390 0.052,1391 8.259,1392 3.545,1393 6.835,1394 0.079,1395 0.029,1396 6.835,1397 2.457,1398 0.273,1399 83.196,1400 0.219,1401 26.324,1402 0.451,1403 140,1404 355.063,1405 151.653,1406 347.499,1407 484.99,1408 330,1409 163,1410 358.417,1411 175.265,1412 364.613,1413 534.11,1414 345,1415 5.009}
{0 CHEMBL1834068,1 1.452,2 13,3 3.401,4 11.564,5 115.761,6 6.864,7 0.548,8 4.097,9 4.232,10 3.609,11 3.599,12 5.097,13 3.572,14 4.659,15 4.864,16 3.911,17 3.982,18 5.585,19 3.927,20 4.878,21 5.111,22 3.957,23 4.152,24 5.709,25 4.052,26 4.966,27 5.226,28 3.861,29 4.141,30 5.765,31 4.005,32 4.976,33 5.264,34 3.775,35 4.05,36 5.754,37 3.915,38 4.796,39 5.06,40 3.675,41 3.936,42 5.612,43 3.811,44 4.723,45 5.004,46 3.621,47 3.867,48 5.526,49 3.739,50 4.648,51 4.932,52 3.578,53 3.783,54 5.477,55 3.666,56 0.042,57 0.84,58 12.551,59 4.771,60 8.629,61 6.902,62 0.362,63 1.341,64 23.884,65 7.641,66 25.097,67 11.237,68 0.327,69 1.603,70 29.699,71 10.083,72 23.33,73 15.233,74 0.297,75 1.662,76 32.825,77 11.142,78 28.769,79 16.979,80 0.423,81 1.574,82 34.342,83 10.576,84 36.009,85 16.322,86 0.345,87 1.364,88 28.198,89 8.824,90 29.259,91 13.615,92 0.245,93 1.28,94 26.067,95 8.424,96 26.198,97 13.136,98 0.337,99 1.169,100 24.458,101 7.538,102 29.706,103 11.892,104 5,105 41,106 0.24,107 0.542,108 0.716,109 0.822,110 0.85,111 0.862,112 3.374,113 0.951,114 -4.44,115 -4.37,116 -4.12,121 40,126 1,127 7,144 8,145 3,147 1,149 1,152 1,176 11,179 3,180 2,183 1,185 2,187 14,191 2,197 2,200 12,206 2,209 2,211 3,214 7,218 2,219 2,224 3,227 4,231 1,232 5,237 1,239 3,244 8,247 1,251 3,255 2,256 7,264 1,269 7,281 1292,282 19.646,283 19.646,284 19.646,285 19.646,286 19.646,287 17.66,288 24.866,289 12.05,290 20.255,291 15.318,292 15.318,293 15.318,294 15.318,295 15.318,296 12.369,297 40.003,298 5.691,299 16.204,300 4.329,301 2.502,302 1.445,303 0.805,304 0.632,305 0.559,306 4.08,311 1,312 1,313 795,314 2.915,318 332.336,322 128.008,325 2.214,326 14.856,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 59.5,338 364,339 4.494,340 3.166,341 6.506,342 4.031,343 3.033,344 4.43,345 0.86,346 10.196,347 3.027,348 4.173,349 3.116,350 6.174,351 3.821,352 2.908,353 3.728,354 0.8,355 9.195,356 2.652,357 3.671,358 2.788,359 5.388,360 3.447,361 2.52,362 2.929,363 0.8,364 7.096,365 2.336,366 3.503,367 2.557,368 5.279,369 3.221,370 2.291,371 2.812,372 0.657,373 6.711,374 2.14,375 3.387,376 2.23,377 5.162,378 3.056,379 2.071,380 2.464,382 6.166,383 2.022,384 3.118,385 2.104,386 4.305,387 2.618,388 1.618,389 2.427,391 4.051,392 1.618,393 2.812,394 1.645,395 4.161,396 2.473,397 1.563,398 1.913,400 3.788,401 1.419,402 2.768,403 1.618,404 3.6,405 2.28,406 1.373,407 1.889,409 2.853,410 1.275,411 2.558,412 1.292,413 3.504,414 2.251,415 1.274,416 1.57,418 2.677,419 1.207,420 2.404,421 1.193,422 3.419,423 2.04,424 1.106,425 1.368,427 2.492,428 1.027,429 2.347,430 1.146,431 3.414,432 1.977,433 1,434 1.336,436 2.299,437 0.975,438 2,439 1.101,440 3.39,441 1.967,442 1,443 1,445 2.275,446 0.965,447 1.805,448 0.711,449 3.061,450 1.475,451 0.524,452 0.656,454 1.231,455 0.497,456 1.345,457 0.646,458 2.633,459 1.223,460 0.325,461 0.329,463 0.544,464 0.29,465 1.093,466 -0.041,467 2.444,468 0.693,469 -0.28,470 -0.357,472 -0.668,473 -0.272,474 13.333,475 0.476,476 0.427,477 0.015,478 36,479 1.286,480 17,481 0.607,482 19,483 0.679,484 22.147,485 0.791,486 30.467,487 0.554,488 25.16,489 0.899,490 7.33,491 0.262,492 6.501,493 0.232,494 0.038,496 0.248,501 0.947,502 1.55,503 0.856,504 1.221,505 0.816,506 1.056,507 1.484,508 0.916,509 1.056,510 0.847,511 1.104,512 0.896,513 0.96,514 1.073,515 1.036,516 1.011,517 0.892,518 1.024,519 0.814,520 1.124,521 1.052,522 1.128,523 1.027,524 1.113,525 1.193,526 0.863,527 0.983,528 0.847,529 1.193,530 0.882,531 1.21,532 1.033,533 1.073,534 0.961,535 1.196,536 0.994,537 0.806,538 0.999,539 0.904,540 0.923,541 0.905,542 0.914,543 0.842,544 0.847,545 0.858,546 0.77,547 0.861,548 0.796,549 4,550 0.082,551 2.667,552 1.063,553 1,554 0.667,555 0.344,556 0.255,557 0.213,558 0.127,559 11097,560 24613,561 2.159,562 49.1,564 25,566 1,567 1,572 1.706,573 2.1,574 3.637,575 -0.358,577 1,582 79.876,583 1.452,584 3.279,585 4.336,586 4.977,587 5.149,588 5.222,589 3.111,590 4.253,591 4.776,592 3.808,593 1439.31,594 8.283,595 19728.9,597 1,599 1,600 317.975,601 1.018,602 4.772,603 0.129,604 0.004,605 0.065,606 0.025,607 0.028,608 0.02,609 0.011,610 0.009,611 0.008,612 0.005,613 0.304,614 0.33,615 1,616 0.858,617 143.232,618 0.011,619 -0.315,620 0.082,621 -0.129,622 0.072,623 -0.033,624 -0.087,625 0.23,626 -0.048,627 0.127,628 -0.02,629 0.05,630 -0.024,631 0.001,632 -0.067,633 -0.015,634 -0.027,635 -0.042,636 0.009,637 -0.112,638 -0.085,639 -0.147,640 -0.06,641 -0.13,642 -0.062,643 0.088,644 0.026,645 0.084,646 -0.087,647 0.068,648 -0.088,649 -0.038,650 -0.075,651 -0.008,652 -0.125,653 -0.037,654 0.014,655 -0.014,656 0.075,657 0.035,658 0.07,659 0.059,660 0.123,661 0.136,662 0.139,663 0.169,664 0.191,665 0.162,666 0.866,667 1.739,668 0.786,669 29.449,670 0.992,671 1.132,672 3.215,673 10.336,674 0.652,675 3.466,676 3.738,677 4.007,678 4.248,679 4.489,680 4.477,681 4.595,682 4.691,683 4.796,684 4.796,685 7.4,686 0.611,687 377.54,688 3.466,689 4.977,690 5.814,691 6.668,692 7.521,693 8.382,694 9.24,695 10.104,696 10.965,697 11.829,698 9.1,701 1,703 1,704 1,708 2,714 2,715 9,716 2,720 3,722 17,734 1,736 1,741 55,743 17,744 2,745 31,747 58,748 22,749 14,750 3,751 7,756 4,757 5,772 14,773 8,790 1,793 27,794 6,795 1,796 6,802 5,808 0.75,809 1,823 1,829 4,833 1,855 1,858 1,859 3,864 1,868 28,876 7,877 1,878 1,881 2,893 1.8,897 1,901 13.333,902 9.967,903 6.333,904 3.287,907 3.454,908 1.448,909 0.992,910 6.248,911 11.163,912 3.701,913 4.248,914 4.826,915 5.39,916 5.936,917 6.091,918 6.449,919 6.788,920 7.173,921 7.192,922 0.889,923 42,924 10.337,926 4.245,927 0.026,929 7.458,931 20.395,933 16.576,936 1.958,937 54.833,939 1,940 1,941 306.049,942 125.526,943 57.83,945 11,948 125.526,949 317.049,950 57.83,951 10.883,952 17.227,953 75.81,954 74.353,955 23.628,956 4.227,957 294.278,959 306.049,960 183.356,961 11,964 306.049,966 11,968 31.297,969 100.477,970 51.582,972 306.049,973 68.83,974 125.526,977 306.049,978 29.785,979 101.989,980 18.011,981 44.571,982 306.049,983 68.83,984 125.526,986 0.561,987 0.328,988 0.182,989 0.103,990 19,991 7,992 0.121,993 7,994 1,995 1.091,996 4.165,997 234.45,998 0.091,999 22,1000 128.606,1005 18.975,1006 9.22,1007 4.743,1008 2.537,1009 68.83,1010 18.661,1011 9.226,1015 2.93,1017 18.011,1018 500.405,1019 39.5,1031 54.556,1032 62.268,1034 0.251,1035 0.567,1036 0.75,1037 0.861,1038 0.891,1039 0.903,1040 4.907,1041 1.373,1042 5.753,1043 3.788,1044 4.419,1045 4.934,1046 1.661,1047 6.509,1048 4.319,1049 6.062,1050 1.274,1051 7.268,1052 2.853,1053 3.761,1054 4.543,1055 0.57,1056 7.298,1057 3.61,1058 7.335,1059 1.106,1060 8.886,1061 2.677,1062 5.948,1063 7.092,1064 1.22,1065 10.393,1066 5.762,1067 8.646,1068 1,1069 10.568,1070 2.492,1071 6.176,1072 7.627,1073 0.479,1074 12.064,1075 5.95,1076 9.996,1077 1,1078 12.294,1079 2.299,1080 7.755,1081 9.596,1082 0.921,1083 14.638,1084 7.499,1085 11.372,1086 0.524,1087 14.049,1088 2.275,1089 8.417,1090 10.599,1091 0.346,1092 16.668,1093 8.138,1094 12.77,1095 0.325,1096 15.826,1097 1.231,1098 9.723,1099 12.304,1100 0.696,1101 19.064,1102 9.419,1103 3.033,1104 -0.28,1105 17.618,1106 0.544,1107 10.603,1108 13.546,1109 0.237,1110 21.247,1111 10.288,1112 2.908,1113 10.196,1114 19.422,1115 -0.668,1116 11.785,1117 15.128,1118 0.523,1119 23.581,1120 11.452,1121 2.52,1122 9.195,1123 21.236,1124 4.43,1125 12.773,1126 16.491,1127 0.158,1128 25.831,1129 12.436,1130 2.291,1131 7.096,1132 23.058,1133 3.728,1134 13.901,1135 18.016,1136 0.391,1137 28.144,1138 13.553,1139 2.071,1140 6.711,1141 24.886,1142 2.929,1143 14.943,1144 19.439,1145 0.104,1146 30.424,1147 14.593,1148 1.618,1149 6.166,1150 26.719,1151 2.812,1152 16.048,1153 20.94,1154 0.289,1155 32.732,1156 15.693,1157 1.563,1158 4.051,1159 28.556,1160 2.464,1161 17.116,1162 22.393,1163 0.068,1164 35.026,1165 16.762,1166 10463,1167 15689,1168 21.553,1169 35.858,1170 45.09,1171 45.567,1172 45.951,1173 45.199,1174 45.212,1175 57.702,1176 6.235,1177 123.149,1178 42.901,1179 5.494,1180 5.166,1181 6.369,1182 5.104,1183 5.033,1184 7.43,1185 1.72,1186 16.978,1187 5.027,1188 7.577,1189 1.455,1190 1.47,1191 1.482,1192 1.458,1193 1.458,1194 1.861,1195 0.201,1196 3.973,1197 1.384,1198 4.095,1199 4.12,1200 4.047,1201 4.054,1202 5.004,1203 4.05,1204 3.919,1205 3.984,1206 3.859,1207 3.72,1208 4.887,1209 3.746,1210 3.744,1211 3.81,1212 3.645,1213 3.556,1214 4.638,1215 3.569,1216 3.508,1217 3.563,1218 3.397,1219 3.409,1220 4.354,1221 3.399,1222 3.469,1223 3.522,1224 3.32,1225 3.241,1226 4.294,1227 3.249,1228 3.26,1229 3.334,1230 3.133,1231 3.109,1232 4.145,1233 3.104,1234 3.117,1235 3.212,1236 2.93,1237 2.941,1238 3.867,1239 2.91,1240 3.111,1241 3.206,1242 2.866,1243 2.853,1244 3.803,1245 2.853,1246 0.145,1247 0.102,1248 0.21,1249 0.13,1250 0.098,1251 4.494,1252 0.143,1253 3.166,1254 0.028,1255 6.506,1256 0.329,1257 4.031,1258 0.098,1259 3.033,1260 4.43,1261 0.86,1262 10.196,1263 3.027,1264 2.081,1265 2.062,1266 2.166,1267 2.138,1268 1.325,1269 2.148,1270 1.828,1271 1.763,1272 1.999,1273 2.053,1274 1.312,1275 2.04,1276 1.689,1277 1.628,1278 1.831,1279 1.9,1280 0.976,1281 1.886,1282 1.508,1283 1.465,1284 1.721,1285 1.709,1286 0.879,1287 1.713,1288 1.425,1289 1.363,1290 1.679,1291 1.627,1292 0.825,1293 1.647,1294 1.246,1295 1.183,1296 1.513,1297 1.457,1298 0.729,1299 1.473,1300 1.153,1301 1.064,1302 1.507,1303 1.39,1304 0.59,1305 1.429,1306 1.104,1307 1.005,1308 1.48,1309 1.376,1310 0.562,1311 1.428,1312 4.143,1314 5.425,1316 6.919,1318 8.508,1320 10.146,1322 1.751,1328 6.415,1329 3.465,1330 5.174,1333 4.676,1340 33.617,1341 79.876,1342 180.349,1343 238.491,1344 273.71,1345 283.22,1346 287.22,1347 33.27,1348 7.71,1349 53.52,1350 53.52,1351 24,1352 12.377,1353 4.17,1354 3.248,1355 42.674,1356 124,1357 146,1358 0.165,1359 206.777,1360 349.69,1361 496.296,1362 26939,1364 19.184,1365 0.685,1366 0.584,1367 19.184,1368 16.343,1369 13.831,1370 0.446,1371 0.317,1372 9.672,1373 13.265,1374 9.447,1375 7.814,1376 13.831,1377 9.831,1378 11.692,1379 0.285,1380 0.172,1381 11.692,1382 7.055,1383 10.016,1384 0.185,1385 0.097,1386 10.016,1387 5.25,1388 8.344,1389 0.121,1390 0.053,1391 8.344,1392 3.624,1393 7.039,1394 0.08,1395 0.029,1396 7.039,1397 2.577,1398 0.266,1399 86.696,1400 0.215,1401 27.262,1402 0.433,1403 144,1404 370.649,1405 156.427,1406 359.343,1407 500.75,1408 342,1409 167,1410 367.629,1411 180.261,1412 376.13,1413 548.06,1414 353,1415 4.932}
{0 CHEMBL1834069,1 1.358,2 10.296,3 4.235,4 17.938,5 112.55,6 6.914,7 0.6,8 4.036,9 4.175,10 3.559,11 3.58,12 5.052,13 3.544,14 4.577,15 4.779,16 3.876,17 3.963,18 5.521,19 3.9,20 4.833,21 5.066,22 3.909,23 4.12,24 5.676,25 4.013,26 4.923,27 5.194,28 3.853,29 4.106,30 5.745,31 3.979,32 4.874,33 5.142,34 3.905,35 4.112,36 5.745,37 4.007,38 4.8,39 5.024,40 3.897,41 4.123,42 5.741,43 4.017,44 4.833,45 5.093,46 3.766,47 4.05,48 5.707,49 3.92,50 4.709,51 4.982,52 3.579,53 3.898,54 5.5,55 3.756,56 0.051,57 0.801,58 11.546,59 4.47,60 9.474,61 6.479,62 0.28,63 1.305,64 21.282,65 7.198,66 21.783,67 10.659,68 0.23,69 1.573,70 27.947,71 9.827,72 23.624,73 14.701,74 0.316,75 1.642,76 31.595,77 10.562,78 32.566,79 16.055,80 0.321,81 1.583,82 30.005,83 10.072,84 34.346,85 15.227,86 0.192,87 1.529,88 26.773,89 9.695,90 30.755,91 14.394,92 0.259,93 1.506,94 28.554,95 9.856,96 35.482,97 14.847,98 0.203,99 1.296,100 25.386,101 8.855,102 26.262,103 13.371,104 2,105 40,106 0.226,107 0.514,108 0.641,109 0.731,110 0.749,111 0.749,112 3.34,113 0.942,114 -5.14,115 -5.04,116 -4.71,121 42.3,126 1,127 4,129 1,144 11,145 2,147 1,149 1,152 1,176 12,179 3,180 2,183 1,185 3,187 13,191 1,197 4,200 10,206 3,209 2,211 4,214 10,218 2,219 4,224 2,227 14,232 8,239 12,244 11,247 1,251 6,256 8,264 1,269 6,281 1131,282 18.775,283 18.775,284 18.775,285 18.775,286 18.775,287 16.623,288 24.379,289 11.479,290 19.181,291 14.869,292 14.869,293 14.869,294 14.869,295 14.869,296 11.795,297 39.713,298 5.516,299 15.536,300 4.343,301 2.617,302 1.852,303 1.313,304 1.207,305 1.207,306 4.043,311 1,312 1,313 608,314 2.646,318 366.971,325 1.545,326 12.213,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 56.5,338 278,339 4.282,340 3.426,341 6.517,342 4.017,343 3.04,344 3.782,345 1.193,346 10.265,347 2.977,348 4.14,349 3.143,350 6.17,351 3.801,352 2.884,353 3.673,354 0.8,355 9.177,356 2.638,357 3.736,358 2.676,359 5.316,360 3.365,361 2.433,362 3.298,363 0.8,364 6.868,365 2.278,366 3.627,367 2.432,368 5.247,369 3.278,370 2.278,371 2.835,372 0.14,373 6.4,374 2.267,375 3.307,376 2.361,377 5.017,378 3.093,379 2.173,380 2.388,382 6.004,383 1.995,384 3.094,385 1.787,386 4.292,387 2.68,388 1.694,389 2.298,391 4.038,392 1.67,393 2.781,394 1.579,395 4.081,396 2.354,397 1.434,398 1.908,400 3.605,401 1.317,402 2.763,403 1.38,404 3.555,405 2.317,406 1.317,407 1.852,409 2.88,410 1.317,411 2.5,412 1.157,413 3.488,414 2.048,415 1.106,416 1.5,418 2.551,419 1.039,420 2.5,421 1.146,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.466,430 1,431 3.352,432 2,433 1,434 1.458,436 2.136,437 1,438 2.059,439 1,440 3.247,441 1.967,442 1,443 1,445 2.136,446 0.965,447 2,448 0.855,449 3.247,450 1.696,451 0.736,452 0.944,454 1.947,455 0.705,456 1.047,457 0.025,458 2.706,459 0.801,460 -0.149,461 -0.158,463 -0.331,464 -0.141,465 0.923,466 -0.047,467 2.527,468 0.674,469 -0.273,470 -0.333,472 -0.718,473 -0.258,474 13,475 0.481,476 0.465,477 0.017,478 37,479 1.37,480 19,481 0.704,482 18,483 0.667,484 20.118,485 0.745,486 28.4,487 0.546,488 26.333,489 0.975,490 7.462,491 0.276,492 5.831,493 0.216,494 0.038,496 0.254,501 0.989,502 1.463,503 0.854,504 1.129,505 0.879,506 1.004,507 1.271,508 0.972,509 1.025,510 0.923,511 0.874,512 0.944,513 1.134,514 1.17,515 1.059,516 1.094,517 0.999,518 1.073,519 1.143,520 0.984,521 0.993,522 0.943,523 1.184,524 0.951,525 1.177,526 0.786,527 0.889,528 0.749,529 1.116,530 0.783,531 1.141,532 1.167,533 1.078,534 1.105,535 1.2,536 1.089,537 1.151,538 1.01,539 1.051,540 0.999,541 1.253,542 1.012,543 1.082,544 0.994,545 1.001,546 0.972,547 0.991,548 0.977,549 4,550 0.099,551 2.444,552 1.25,553 1.027,554 0.563,555 0.344,556 0.455,557 0.197,558 0.04,559 8942,560 18917,561 2.165,562 48.1,564 23,566 1,567 1,572 1.705,573 2.104,574 3.328,575 -0.382,577 1,582 70.609,583 1.358,584 3.083,585 3.848,586 4.388,587 4.494,588 4.494,589 2.732,590 3.792,591 4.727,592 3.483,593 1222.36,594 8.229,595 15651.2,597 1,599 1,600 296.423,601 1.038,602 4.719,603 0.133,604 0.005,605 0.061,606 0.031,607 0.028,608 0.014,609 0.009,610 0.013,611 0.007,612 0.002,613 0.303,614 0.33,615 1,616 0.352,617 133.077,618 0.034,619 -0.273,620 0.077,621 -0.091,622 0.029,623 -0.018,624 0.094,625 0.182,626 -0.041,627 0.034,628 0.093,629 -0.008,630 -0.046,631 -0.123,632 -0.084,633 -0.116,634 -0.052,635 -0.106,636 0.007,637 0.011,638 0.006,639 0.009,640 -0.034,641 0.007,642 -0.014,643 0.225,644 0.11,645 0.207,646 0.046,647 0.177,648 -0.126,649 -0.115,650 -0.114,651 -0.111,652 -0.075,653 -0.111,654 -0.073,655 -0.008,656 -0.065,657 -0.033,658 -0.075,659 -0.045,660 -0.084,661 -0.027,662 -0.014,664 -0.011,666 1.289,667 1.797,668 0.889,669 22.84,670 0.987,671 1.128,672 3.911,673 15.298,674 0.666,675 3.434,676 3.714,677 3.97,678 4.22,679 4.477,680 4.454,681 4.585,682 4.691,683 4.745,684 4.762,685 6.175,686 0.623,687 359.52,688 3.434,689 4.949,690 5.784,691 6.64,692 7.493,693 8.356,694 9.216,695 10.082,696 10.945,697 11.812,698 9.6,701 1,703 1,704 1,708 2,715 12,716 2,720 4,722 18,734 1,736 1,741 52,743 18,744 2,745 30,747 55,748 22,749 16,750 2,751 10,756 4,757 4,770 1,772 16,773 6,790 1,793 25,794 5,795 1,796 5,802 5,808 1,823 1,829 4,855 1,859 4,864 1,868 27,876 4,877 1,880 1,881 2,901 12.833,902 9.383,903 6,904 3.096,907 2.337,908 1.324,909 0.997,910 5.544,911 9.549,912 3.689,913 4.212,914 4.725,915 5.246,916 5.775,917 5.803,918 6.205,919 6.578,920 6.913,921 7.162,922 0.857,923 40,924 9.962,926 4.127,927 0.026,929 7.444,931 19.624,933 16.058,936 1.944,937 52.5,939 1,940 1,941 282.506,942 140.703,943 57.83,948 140.703,949 282.506,950 57.83,951 8.396,952 8.423,953 104.239,954 63.353,955 21.667,956 4.227,957 270.735,959 282.506,960 198.534,964 282.506,968 22.494,969 124.458,970 51.582,972 282.506,973 57.83,974 140.703,977 282.506,978 19.021,979 127.931,980 18.011,981 33.571,982 282.506,983 57.83,984 140.703,986 0.567,987 0.326,988 0.182,989 0.107,990 19,991 7,992 0.091,993 5,995 1,996 3.951,997 231.478,999 24,1000 104.382,1005 17.811,1006 8.404,1007 4.398,1009 57.83,1010 24.745,1011 9.295,1015 4.066,1017 18.011,1018 481.04,1019 39,1031 51.345,1032 58.644,1034 0.238,1035 0.541,1036 0.675,1037 0.77,1038 0.788,1039 0.788,1040 4.894,1041 1.317,1042 5.727,1043 3.605,1044 4.394,1045 4.898,1046 1.659,1047 6.482,1048 4.308,1049 6.044,1050 1.106,1051 7.241,1052 2.88,1053 3.761,1054 4.29,1055 1.057,1056 7.261,1057 3.594,1058 7.301,1059 1,1060 8.858,1061 2.551,1062 5.922,1063 6.939,1064 1.469,1065 10.371,1066 5.742,1067 8.589,1068 1,1069 10.539,1070 2.275,1071 6.155,1072 7.144,1073 1.328,1074 12.041,1075 5.899,1076 9.911,1077 1,1078 12.265,1079 2.136,1080 7.728,1081 9.241,1082 1.528,1083 14.633,1084 7.46,1085 11.255,1086 0.736,1087 14.021,1088 2.136,1089 8.385,1090 9.864,1091 1.557,1092 16.668,1093 8.056,1094 12.618,1095 -0.149,1096 15.799,1097 1.947,1098 9.692,1099 11.672,1100 1.711,1101 19.078,1102 9.345,1103 3.04,1104 -0.273,1105 17.594,1106 -0.331,1107 10.567,1108 12.54,1109 1.813,1110 21.27,1111 10.174,1112 2.884,1113 10.265,1114 19.401,1115 -0.718,1116 11.751,1117 14.173,1118 1.962,1119 23.615,1120 11.337,1121 2.433,1122 9.177,1123 21.219,1124 3.782,1125 12.736,1126 15.196,1127 2.098,1128 25.874,1129 12.287,1130 2.278,1131 6.868,1132 23.044,1133 3.673,1134 13.866,1135 16.718,1136 2.252,1137 28.196,1138 13.395,1139 2.173,1140 6.4,1141 24.875,1142 3.298,1143 14.907,1144 17.841,1145 2.404,1146 30.484,1147 14.408,1148 1.694,1149 6.004,1150 26.712,1151 2.835,1152 16.015,1153 19.292,1154 2.564,1155 32.8,1156 15.495,1157 1.434,1158 4.038,1159 28.553,1160 2.388,1161 17.083,1162 20.481,1163 2.726,1164 35.102,1165 16.54,1166 8416,1167 12362,1168 20.86,1169 34.643,1170 44.711,1171 43.93,1172 44.629,1173 44.277,1174 44.193,1175 56.874,1176 5.866,1177 120.565,1178 42.338,1179 5.282,1180 5.426,1181 6.318,1182 5.091,1183 5.04,1184 6.782,1185 1.873,1186 16.999,1187 4.977,1188 7.048,1189 1.49,1190 1.464,1191 1.488,1192 1.476,1193 1.473,1194 1.896,1195 0.196,1196 4.019,1197 1.411,1198 4.016,1199 4.058,1200 3.956,1201 3.941,1202 5.003,1203 3.938,1204 3.887,1205 3.946,1206 3.821,1207 3.753,1208 4.796,1209 3.743,1210 3.808,1211 3.841,1212 3.729,1213 3.701,1214 4.688,1215 3.725,1216 3.71,1217 3.778,1218 3.608,1219 3.526,1220 4.359,1221 3.537,1222 3.261,1223 3.344,1224 3.152,1225 3.098,1226 4.14,1227 3.1,1228 3.168,1229 3.258,1230 2.997,1231 2.941,1232 3.901,1233 2.938,1234 3.111,1235 3.206,1236 2.866,1237 2.938,1238 3.765,1239 2.91,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.143,1247 0.114,1248 0.217,1249 0.134,1250 0.101,1251 4.282,1252 0.126,1253 3.426,1254 0.04,1255 6.517,1256 0.342,1257 4.017,1258 0.099,1259 3.04,1260 3.782,1261 1.193,1262 10.265,1263 2.977,1264 1.979,1265 1.951,1266 2.088,1267 2.08,1268 1.285,1269 2.079,1270 1.824,1271 1.794,1272 1.991,1273 2.025,1274 1.241,1275 2.024,1276 1.815,1277 1.751,1278 1.961,1279 1.905,1280 1.01,1281 1.926,1282 1.66,1283 1.597,1284 1.799,1285 1.862,1286 0.825,1287 1.852,1288 1.228,1289 1.165,1290 1.541,1291 1.479,1292 0.804,1293 1.5,1294 1.16,1295 1.064,1296 1.513,1297 1.388,1298 0.646,1299 1.429,1300 1.153,1301 1.062,1302 1.413,1303 1.376,1304 0.565,1305 1.404,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.26,1311 1.107,1312 4.111,1314 5.398,1316 6.893,1318 8.472,1320 10.094,1322 2.153,1328 3.997,1329 3.612,1332 0.044,1333 4.588,1340 32.375,1341 70.609,1342 160.33,1343 200.104,1344 228.158,1345 233.668,1346 233.668,1347 31.914,1348 7.212,1349 44.29,1350 44.29,1351 24,1352 12.358,1353 4.248,1354 3.322,1355 39.998,1356 99,1357 110,1358 0.194,1359 199.853,1360 338.26,1361 479.402,1362 12254,1364 18.476,1365 0.684,1366 0.579,1367 18.476,1368 15.623,1369 13.293,1370 0.443,1371 0.314,1372 9.31,1373 12.893,1374 9.079,1375 7.552,1376 13.293,1377 9.424,1378 11.508,1379 0.288,1380 0.173,1381 11.508,1382 6.931,1383 9.667,1384 0.186,1385 0.096,1386 9.667,1387 4.987,1388 8.011,1389 0.12,1390 0.051,1391 8.011,1392 3.386,1393 6.859,1394 0.079,1395 0.028,1396 6.859,1397 2.454,1398 0.301,1399 82.299,1400 0.219,1401 25.782,1402 0.544,1403 140,1404 330.913,1405 150.213,1406 331.109,1407 467.12,1408 314,1409 162,1410 352.831,1411 173.379,1412 362.12,1413 527.1,1414 341,1415 4.863}
{0 CHEMBL1834070,1 1.308,2 10.296,3 5.447,4 29.67,5 113.189,6 6.765,7 0.6,8 4.044,9 4.18,10 3.547,11 3.621,12 5.039,13 3.573,14 4.592,15 4.784,16 3.872,17 4.017,18 5.515,19 3.935,20 4.889,21 5.133,22 3.909,23 4.161,24 5.696,25 4.039,26 4.955,27 5.233,28 3.852,29 4.125,30 5.76,31 3.992,32 4.878,33 5.144,34 3.899,35 4.126,36 5.738,37 4.018,38 4.815,39 5.041,40 3.894,41 4.142,42 5.753,43 4.033,44 4.844,45 5.102,46 3.762,47 4.076,48 5.707,49 3.94,50 4.731,51 5.004,52 3.578,53 3.926,54 5.513,55 3.777,56 0.056,57 0.781,58 11.898,59 4.841,60 9.874,61 6.933,62 0.24,63 1.3,64 21.59,65 8.249,66 21.373,67 11.906,68 0.198,69 1.629,70 29.82,71 10.949,72 24.57,73 16.275,74 0.329,75 1.704,76 32.776,77 11.028,78 33.511,79 16.712,80 0.262,81 1.598,82 30.073,83 10.211,84 33.142,85 15.444,86 0.21,87 1.549,88 27.503,89 9.915,90 32.469,91 14.715,92 0.224,93 1.529,94 28.811,95 10.256,96 34.977,97 15.344,98 0.196,99 1.333,100 25.878,101 9.329,102 26.63,103 13.949,104 2,105 40,106 0.217,107 0.521,108 0.674,109 0.737,110 0.754,111 0.754,112 3.34,113 0.974,114 -6.14,115 -5.99,116 -5.57,121 43.4,122 1,123 2,124 1,127 2,129 1,144 11,145 2,147 1,149 1,152 1,176 15,179 3,180 4,183 1,185 3,187 16,192 1,197 4,200 10,206 8,209 2,211 4,214 10,219 6,224 2,227 14,232 10,237 2,239 14,244 10,249 1,251 7,256 8,261 1,264 6,269 4,277 10,281 1131,282 18.775,283 18.775,284 18.775,285 18.775,286 18.775,287 16.623,288 21.951,289 11.479,290 19.062,291 14.869,292 14.869,293 14.869,294 14.869,295 14.869,296 11.795,297 34.498,298 5.516,299 15.361,300 4.42,301 2.588,302 1.666,303 1.288,304 1.184,305 1.184,306 4.043,311 1,312 1,313 608,314 2.646,318 366.971,325 1.545,326 12.156,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 56,338 278,339 4.282,340 3.426,341 6.517,342 4.017,343 3.04,344 3.782,345 1.193,346 10.265,347 2.977,348 4.14,349 3.123,350 6.17,351 3.807,352 2.884,353 3.673,354 0.8,355 9.177,356 2.661,357 3.736,358 2.535,359 5.316,360 3.402,361 2.433,362 3.298,363 0.14,364 6.868,365 2.357,366 3.627,367 2.361,368 5.247,369 3.278,370 2.278,371 2.835,373 6.4,374 2.278,375 3.307,376 2.257,377 5.017,378 3.132,379 2.173,380 2.388,382 6.004,383 2.072,384 3.094,385 1.78,386 4.292,387 2.681,388 1.694,389 2.298,391 4.038,392 1.672,393 2.781,394 1.557,395 4.081,396 2.361,397 1.434,398 1.908,400 3.605,401 1.326,402 2.763,403 1.38,404 3.555,405 2.317,406 1.317,407 1.852,409 2.88,410 1.317,411 2.5,412 1.15,413 3.488,414 2.052,415 1.106,416 1.5,418 2.551,419 1.043,420 2.5,421 1.077,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.466,430 1,431 3.352,432 2,433 1,434 1.458,436 2.136,437 1,438 2.059,439 1,440 3.247,441 1.984,442 1,443 1,445 2.136,446 0.983,447 2,448 0.855,449 3.247,450 1.696,451 0.736,452 0.944,454 1.947,455 0.705,456 1.047,457 -0.047,458 2.706,459 0.826,460 -0.149,461 -0.158,463 -0.331,464 -0.145,465 0.923,466 -0.096,467 2.527,468 0.675,469 -0.273,470 -0.333,472 -0.718,473 -0.258,474 13.1,475 0.485,476 0.465,477 0.017,478 36.25,479 1.343,480 19,481 0.704,482 17.25,483 0.639,484 21.733,485 0.805,486 28.3,487 0.534,488 24.718,489 0.915,490 6.851,491 0.254,492 6.442,493 0.239,494 0.038,496 0.26,501 0.956,502 1.325,503 0.88,504 1.081,505 0.885,506 0.993,507 0.93,508 1.056,509 1.01,510 1.053,511 0.777,512 1.041,513 1.094,514 1.215,515 1.008,516 1.089,517 0.919,518 1.05,519 1.329,520 0.954,521 0.989,522 0.887,523 1.179,524 0.905,525 1.443,526 0.865,527 0.91,528 0.755,529 1.18,530 0.782,531 1.381,532 1.129,533 1.116,534 1.056,535 1.319,536 1.063,537 1.299,538 1.059,539 1.072,540 1.009,541 1.287,542 1.02,543 1.167,544 1.007,545 1.013,546 0.972,547 1,548 0.978,549 4,550 0.099,551 2.444,552 1.25,553 1.027,554 0.563,555 0.344,556 0.455,557 0.197,558 0.04,559 8942,560 17707,561 2.165,562 49.1,563 4,564 16,566 1,567 1,569 4,572 1.705,573 2.104,574 3.328,575 -0.419,582 69.326,583 1.308,584 3.14,585 4.062,586 4.44,587 4.544,588 4.544,589 2.732,590 3.792,591 4.727,592 3.483,593 1222.36,594 8.229,595 15651.2,600 303.58,601 1.038,602 4.719,603 0.133,604 0.005,605 0.061,606 0.031,607 0.028,608 0.014,609 0.009,610 0.013,611 0.007,612 0.002,613 0.303,614 0.33,615 0.88,616 0.352,617 133.077,618 0.039,619 -0.16,620 0.069,621 -0.037,622 0.04,623 0.008,624 0.276,625 0.065,626 -0.033,627 -0.062,628 0.176,629 -0.071,630 -0.011,631 -0.193,632 -0.025,633 -0.112,634 0.017,635 -0.077,636 0.013,637 0.062,638 0.024,639 0.045,640 -0.019,641 0.037,642 -0.131,643 0.168,644 0.099,645 0.19,647 0.168,648 -0.175,649 -0.058,650 -0.131,651 -0.084,652 -0.109,653 -0.1,654 -0.134,655 -0.043,656 -0.08,657 -0.048,658 -0.094,659 -0.058,660 -0.084,661 -0.025,662 -0.022,663 -0.008,664 -0.007,665 -0.01,666 1.281,667 1.816,668 0.889,669 22.84,670 0.984,671 1.124,672 4.914,673 24.145,674 0.668,675 3.434,676 3.714,677 3.97,678 4.22,679 4.477,680 4.454,681 4.585,682 4.691,683 4.745,684 4.762,685 6.175,686 0.62,687 358.53,688 3.434,689 4.949,690 5.784,691 6.64,692 7.493,693 8.356,694 9.216,695 10.082,696 10.945,697 11.812,698 7.5,703 1,704 1,708 2,715 12,716 2,720 4,722 18,734 1,736 1,741 53,743 18,744 2,745 30,747 56,748 23,749 16,750 2,751 10,756 4,757 4,763 1,767 2,768 1,770 3,772 16,773 7,774 1,793 26,794 4,795 1,796 4,802 4,808 1,823 1,829 4,859 4,864 1,868 27,876 4,877 1,880 2,881 1,901 12.833,902 9.517,903 6,904 3.362,907 2.337,908 1.324,909 0.99,910 5.572,911 9.549,912 3.689,913 4.212,914 4.725,915 5.246,916 5.775,917 5.803,918 6.205,919 6.578,920 6.913,921 7.162,922 0.857,923 40,924 9.98,926 4.156,927 0.026,929 7.42,931 19.783,933 16.43,936 1.92,937 51.833,941 294.278,942 141.99,943 54.706,948 141.99,949 294.278,950 54.706,951 8.825,952 9.28,953 104.239,954 63.353,955 18.543,956 4.227,957 282.506,959 294.278,960 196.696,964 247.193,965 47.084,968 29.052,969 116.062,970 51.582,972 294.278,973 54.706,974 141.99,977 294.278,978 19.879,979 125.236,980 18.011,981 33.571,982 294.278,983 54.706,984 141.99,986 0.567,987 0.326,988 0.182,989 0.107,990 19,991 7,992 0.089,993 5,995 1,996 3.951,997 231.478,999 24,1000 104.382,1005 17.848,1006 8.43,1007 4.414,1009 54.706,1010 24.818,1011 9.332,1015 4.12,1017 18.011,1018 490.974,1019 39,1031 52.127,1032 59.56,1034 0.228,1035 0.548,1036 0.709,1037 0.775,1038 0.793,1039 0.793,1040 4.894,1041 1.317,1042 5.727,1043 3.605,1044 4.394,1045 4.898,1046 1.457,1047 6.482,1048 4.328,1049 6.044,1050 1.106,1051 7.241,1052 2.88,1053 3.761,1054 4.29,1055 0.914,1056 7.261,1057 3.638,1058 7.301,1059 1,1060 8.858,1061 2.551,1062 5.922,1063 6.939,1064 1.357,1065 10.371,1066 5.78,1067 8.589,1068 1,1069 10.539,1070 2.275,1071 6.155,1072 7.144,1073 1.243,1074 12.041,1075 5.95,1076 9.911,1077 1,1078 12.265,1079 2.136,1080 7.728,1081 9.241,1082 1.467,1083 14.633,1084 7.507,1085 11.255,1086 0.736,1087 14.021,1088 2.136,1089 8.385,1090 9.864,1091 1.512,1092 16.668,1093 8.107,1094 12.618,1095 -0.149,1096 15.799,1097 1.947,1098 9.692,1099 11.672,1100 1.68,1101 19.078,1102 9.394,1103 3.04,1104 -0.273,1105 17.594,1106 -0.331,1107 10.567,1108 12.54,1109 1.791,1110 21.27,1111 10.221,1112 2.884,1113 10.265,1114 19.401,1115 -0.718,1116 11.751,1117 14.173,1118 1.947,1119 23.615,1120 11.383,1121 2.433,1122 9.177,1123 21.219,1124 3.782,1125 12.736,1126 15.196,1127 2.087,1128 25.874,1129 12.329,1130 2.278,1131 6.868,1132 23.044,1133 3.673,1134 13.866,1135 16.718,1136 2.245,1137 28.196,1138 13.436,1139 2.173,1140 6.4,1141 24.875,1142 3.298,1143 14.907,1144 17.841,1145 2.399,1146 30.484,1147 14.444,1148 1.694,1149 6.004,1150 26.712,1151 2.835,1152 16.015,1153 19.292,1154 2.561,1155 32.8,1156 15.53,1157 1.434,1158 4.038,1159 28.553,1160 2.388,1161 17.083,1162 20.481,1163 2.723,1164 35.102,1165 16.571,1166 8416,1167 11984,1168 20.86,1169 35.398,1170 44.711,1171 44.087,1172 44.629,1173 44.236,1174 44.193,1175 56.874,1176 4.266,1177 120.565,1178 42.784,1179 5.282,1180 5.426,1181 6.318,1182 5.091,1183 5.04,1184 6.782,1185 1.873,1186 16.999,1187 4.977,1188 7.048,1189 1.49,1190 1.47,1191 1.488,1192 1.475,1193 1.473,1194 1.896,1195 0.142,1196 4.019,1197 1.426,1198 4.018,1199 4.06,1200 3.957,1201 3.942,1202 5.003,1203 3.939,1204 3.902,1205 3.955,1206 3.827,1207 3.755,1208 4.796,1209 3.761,1210 3.808,1211 3.841,1212 3.729,1213 3.753,1214 4.688,1215 3.743,1216 3.736,1217 3.794,1218 3.633,1219 3.591,1220 4.31,1221 3.6,1222 3.278,1223 3.36,1224 3.16,1225 3.108,1226 4.136,1227 3.11,1228 3.187,1229 3.267,1230 3.021,1231 3.011,1232 3.886,1233 3.002,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.762,1239 2.91,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.143,1247 0.114,1248 0.217,1249 0.134,1250 0.101,1251 4.282,1252 0.126,1253 3.426,1254 0.04,1255 6.517,1256 0.342,1257 4.017,1258 0.099,1259 3.04,1260 3.782,1261 1.193,1262 10.265,1263 2.977,1264 1.979,1265 1.951,1266 2.09,1267 2.082,1268 1.428,1269 2.083,1270 1.868,1271 1.809,1272 2.07,1273 2.033,1274 1.242,1275 2.048,1276 1.824,1277 1.794,1278 1.961,1279 1.905,1280 1.01,1281 1.926,1282 1.698,1283 1.646,1284 1.814,1285 1.873,1286 0.837,1287 1.867,1288 1.254,1289 1.181,1290 1.57,1291 1.495,1292 0.825,1293 1.523,1294 1.188,1295 1.114,1296 1.513,1297 1.39,1298 0.728,1299 1.429,1300 1.153,1301 1.064,1302 1.413,1303 1.376,1304 0.567,1305 1.405,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.303,1311 1.107,1312 4.111,1314 5.398,1316 6.893,1318 8.472,1320 10.094,1322 2.32,1328 4.478,1329 3.622,1332 0.847,1333 2.297,1340 32.88,1341 69.326,1342 166.401,1343 215.261,1344 235.315,1345 240.825,1346 240.825,1347 33.725,1348 7.212,1349 41.05,1350 41.05,1351 24,1352 12.358,1353 4.248,1354 3.322,1355 39.998,1356 99,1357 110,1358 0.194,1359 202.651,1360 344.56,1361 486.229,1362 12254,1364 18.476,1365 0.684,1366 0.583,1367 18.476,1368 15.753,1369 13.293,1370 0.443,1371 0.325,1372 9.661,1373 13.006,1374 9.416,1375 7.859,1376 13.293,1377 9.738,1378 11.508,1379 0.288,1380 0.183,1381 11.508,1382 7.31,1383 9.667,1384 0.186,1385 0.101,1386 9.667,1387 5.267,1388 8.011,1389 0.12,1390 0.054,1391 8.011,1392 3.588,1393 6.859,1394 0.079,1395 0.031,1396 6.859,1397 2.659,1398 0.301,1399 81.602,1400 0.219,1401 25.782,1402 0.544,1403 140,1404 311.268,1405 148.465,1406 314.2,1407 446.48,1408 298,1409 162,1410 341.07,1411 171.159,1412 349.711,1413 510.12,1414 331,1415 4.492}
{0 CHEMBL1834071,1 1.332,2 11.103,3 4.962,4 24.617,5 121.716,6 6.682,7 0.563,8 4.133,9 4.275,10 3.623,11 3.674,12 5.122,13 3.629,14 4.687,15 4.894,16 3.952,17 4.058,18 5.602,19 3.986,20 4.965,21 5.21,22 4.001,23 4.228,24 5.778,25 4.119,26 5.059,27 5.323,28 3.961,29 4.261,30 5.857,31 4.123,32 5.1,33 5.384,34 3.982,35 4.274,36 5.902,37 4.134,38 5.007,39 5.278,40 3.948,41 4.217,42 5.849,43 4.092,44 4.879,45 5.131,46 3.871,47 4.115,48 5.77,49 3.993,50 4.822,51 5.098,52 3.705,53 4.001,54 5.65,55 3.874,56 0.063,57 0.879,58 13.338,59 5.139,60 10.927,61 7.553,62 0.288,63 1.438,64 24.385,65 8.351,66 24.427,67 12.541,68 0.295,69 1.771,70 32.634,71 10.956,72 27.538,73 16.781,74 0.331,75 1.87,76 36.03,77 12.495,78 33.883,79 18.977,80 0.351,81 1.897,82 37.824,83 13.117,84 39.861,85 19.954,86 0.286,87 1.766,88 34.289,89 11.623,90 36.879,91 17.837,92 0.245,93 1.594,94 29.882,95 10.344,96 36.151,97 15.756,98 0.291,99 1.469,100 28.787,101 8.947,102 33.875,103 14.055,104 6,105 43,106 0.217,107 0.508,108 0.649,109 0.728,110 0.743,111 0.743,112 3.408,113 0.974,114 -5.57,115 -5.44,116 -5.08,121 41.4,122 2,127 4,129 2,144 11,145 2,147 1,149 1,152 1,176 12,179 3,180 4,183 1,185 3,187 14,191 1,197 4,200 10,206 3,209 2,211 4,214 10,218 2,219 6,224 2,227 14,232 8,239 12,244 15,247 1,251 6,256 8,264 1,269 6,274 2,277 2,281 1388,282 19.982,283 19.982,284 19.982,285 19.982,286 19.982,287 17.83,288 27.541,289 12.114,290 20.399,291 15.837,292 15.837,293 15.837,294 15.837,295 15.837,296 12.763,297 45.748,298 5.774,299 16.529,300 4.526,301 2.743,302 1.881,303 1.397,304 1.302,305 1.302,306 4.109,311 1,312 1,313 698,314 3.162,318 403.433,325 1.762,326 13.607,329 0.75,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.86,337 60.5,338 322,339 4.282,340 3.426,341 6.517,342 4.017,343 3.041,344 3.782,345 1.193,346 10.265,347 2.977,348 4.143,349 3.183,350 6.181,351 3.83,352 2.909,353 3.673,354 0.8,355 9.203,356 2.671,357 3.754,358 2.925,359 5.893,360 3.598,361 2.671,362 3.298,363 0.8,364 8.095,365 2.474,366 3.736,367 2.478,368 5.297,369 3.278,370 2.294,371 2.864,372 0.14,373 6.79,374 2.278,375 3.523,376 2.361,377 5.247,378 3.233,379 2.278,380 2.666,382 6.4,383 2.15,384 3.104,385 1.812,386 4.386,387 2.695,388 1.716,389 2.327,391 4.266,392 1.683,393 2.83,394 1.666,395 4.099,396 2.51,397 1.56,398 1.919,400 3.677,401 1.476,402 2.781,403 1.38,404 3.725,405 2.317,406 1.317,407 1.908,409 2.88,410 1.317,411 2.588,412 1.349,413 3.555,414 2.185,415 1.24,416 1.614,418 2.821,419 1.169,420 2.5,421 1.146,422 3.481,423 2,424 1,425 1.5,427 2.455,428 1,429 2.5,430 1.11,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.13,439 1,440 3.351,441 1.967,442 1,443 1.11,445 2.136,446 0.965,447 2.057,448 1,449 3.247,450 1.937,451 1,452 1,454 2.136,455 0.934,456 2,457 0.854,458 3.247,459 1.696,460 0.735,461 0.943,463 1.946,464 0.704,465 1.035,466 -0.047,467 2.703,468 0.687,469 -0.263,470 -0.324,472 -0.674,473 -0.249,474 14,475 0.483,476 0.554,477 0.019,478 38,479 1.31,480 19,481 0.655,482 19,483 0.655,484 24.615,485 0.849,486 31,487 0.534,488 27.18,489 0.937,490 7.422,491 0.256,492 6.781,493 0.234,494 0.071,496 0.271,501 0.988,502 1.467,503 0.895,504 1.157,505 0.946,506 1.041,507 1.191,508 1.074,509 1.005,510 0.988,511 0.809,512 0.981,513 1.338,514 1.086,515 1.064,516 0.998,517 1.001,518 1.004,519 1.113,520 1.05,521 1.051,522 1.033,523 1.151,524 1.036,525 1.012,526 0.877,527 0.891,528 0.85,529 1,530 0.858,531 1.23,532 0.949,533 0.947,534 0.869,535 1.099,536 0.88,537 1.113,538 1.161,539 1.017,540 1.063,541 1.129,542 1.037,543 1.649,544 0.893,545 1.097,546 0.839,547 1.553,548 0.903,549 4.5,550 0.099,551 2.889,552 1.5,553 1.107,554 0.688,555 0.425,556 0.486,557 0.254,558 0.071,559 10924,560 21863,561 2.132,562 50,564 21,566 1,567 1,569 6,572 1.722,573 2.047,574 3.428,575 -0.405,582 77.233,583 1.332,584 3.115,585 3.977,586 4.461,587 4.556,588 4.556,589 2.902,590 3.866,591 4.829,592 3.626,593 1472.35,594 8.424,595 20016.5,597 1,600 339.763,601 1.178,602 4.812,603 0.141,604 0.005,605 0.067,606 0.034,607 0.027,608 0.016,609 0.01,610 0.013,611 0.008,612 0.003,613 0.323,614 0.33,615 0.88,616 0.601,617 147.288,618 0.049,619 -0.254,620 0.075,621 -0.084,622 -0.003,623 -0.016,624 0.169,625 0.081,626 0.001,627 -0.006,628 0.168,629 -0.016,630 -0.098,631 -0.018,632 -0.063,633 -0.031,634 -0.048,635 -0.041,636 -0.001,637 -0.037,638 -0.058,639 -0.064,640 -0.047,641 -0.066,642 0.054,643 0.097,644 0.103,645 0.113,646 0.09,647 0.113,648 -0.097,649 0.057,650 0.05,651 0.095,652 0.003,653 0.088,654 0.007,655 -0.128,656 -0.025,657 -0.086,658 0.07,659 -0.063,660 -0.27,661 0.144,662 -0.079,663 0.087,664 -0.227,665 0.033,666 1.294,667 1.842,668 0.828,669 27.218,670 0.985,671 1.129,672 4.337,673 18.812,674 0.658,675 3.497,676 3.784,677 4.043,678 4.277,679 4.522,680 4.543,681 4.7,682 4.762,683 4.844,684 4.86,685 6.726,686 0.611,687 387.58,688 3.497,689 5.017,690 5.855,691 6.713,692 7.568,693 8.432,694 9.294,695 10.161,696 11.025,697 11.894,698 8.6,701 1,703 1,704 1,708 2,715 12,716 2,720 4,722 18,734 1,736 1,741 58,743 18,744 2,745 32,747 61,748 24,749 16,750 2,751 10,756 4,757 4,763 2,770 2,772 16,773 8,793 29,794 5,795 1,796 5,802 5,808 1,823 1,829 4,855 1,859 4,864 2,868 29,876 4,877 1,880 2,881 2,901 14.167,902 10.717,903 6.444,904 3.629,907 2.331,908 1.315,909 0.979,910 6.307,911 9.72,912 3.738,913 4.256,914 4.76,915 5.267,916 5.787,917 5.827,918 6.237,919 6.603,920 6.949,921 7.2,922 1,923 44,924 10.716,926 4.425,927 0.026,929 7.425,931 21.197,933 17.395,936 1.925,937 55.833,940 1,941 329.591,942 149.958,943 57.83,948 149.958,949 329.591,950 57.83,951 17.65,952 8.423,953 104.239,954 63.353,955 21.667,956 4.227,957 317.82,959 329.591,960 207.788,964 258.964,965 70.627,968 40.144,969 116.062,970 51.582,972 329.591,973 57.83,974 149.958,977 329.591,978 19.021,979 137.185,980 18.011,981 33.571,982 329.591,983 57.83,984 149.958,986 0.571,987 0.33,988 0.179,989 0.101,990 20,991 8,992 0.098,993 6,995 1,996 4.098,997 253.904,999 24,1000 114.881,1005 19.72,1006 9.275,1007 4.884,1009 57.83,1010 24.805,1011 9.384,1015 4.075,1017 18.011,1018 537.379,1019 41,1031 57.112,1032 65.474,1034 0.227,1035 0.532,1036 0.679,1037 0.762,1038 0.778,1039 0.778,1040 4.952,1041 1.317,1042 5.808,1043 3.677,1044 4.466,1045 4.942,1046 1.659,1047 6.575,1048 4.38,1049 6.104,1050 1.24,1051 7.335,1052 2.88,1053 3.892,1054 4.369,1055 1.057,1056 7.394,1057 3.732,1058 7.364,1059 1,1060 8.966,1061 2.821,1062 6.009,1063 6.971,1064 1.469,1065 10.487,1066 5.826,1067 8.655,1068 1,1069 10.66,1070 2.455,1071 6.293,1072 7.197,1073 1.328,1074 12.169,1075 6.034,1076 9.978,1077 1,1078 12.396,1079 2.275,1080 7.836,1081 9.266,1082 1.528,1083 14.744,1084 7.557,1085 11.323,1086 1,1087 14.16,1088 2.136,1089 8.525,1090 9.898,1091 1.557,1092 16.773,1093 8.181,1094 12.686,1095 0.735,1096 15.944,1097 2.136,1098 9.813,1099 11.69,1100 1.711,1101 19.169,1102 9.446,1103 3.041,1104 -0.263,1105 17.741,1106 1.946,1107 10.704,1108 12.56,1109 1.813,1110 21.35,1111 10.285,1112 2.909,1113 10.265,1114 19.549,1115 -0.674,1116 11.876,1117 14.185,1118 1.962,1119 23.683,1120 11.433,1121 2.671,1122 9.203,1123 21.365,1124 3.782,1125 12.867,1126 15.208,1127 2.098,1128 25.932,1129 12.383,1130 2.294,1131 8.095,1132 23.187,1133 3.673,1134 13.989,1135 16.726,1136 2.252,1137 28.245,1138 13.481,1139 2.278,1140 6.79,1141 25.014,1142 3.298,1143 15.03,1144 17.848,1145 2.404,1146 30.526,1147 14.49,1148 1.716,1149 6.4,1150 26.846,1151 2.864,1152 16.132,1153 19.297,1154 2.564,1155 32.835,1156 15.569,1157 1.56,1158 4.266,1159 28.682,1160 2.666,1161 17.198,1162 20.485,1163 2.726,1164 35.132,1165 16.609,1166 10374,1167 14834,1168 21.959,1169 38.165,1170 47.982,1171 47.387,1172 48.063,1173 47.577,1174 47.522,1175 60.208,1176 5.866,1177 130.69,1178 45.599,1179 5.282,1180 5.426,1181 6.318,1182 5.091,1183 5.041,1184 6.782,1185 1.873,1186 16.999,1187 4.977,1188 10.467,1189 1.499,1190 1.481,1191 1.502,1192 1.487,1193 1.485,1194 1.881,1195 0.183,1196 4.084,1197 1.425,1198 4.019,1199 4.062,1200 3.958,1201 3.942,1202 5.003,1203 3.939,1204 3.898,1205 3.957,1206 3.827,1207 3.753,1208 4.796,1209 3.743,1210 3.808,1211 3.841,1212 3.729,1213 3.717,1214 4.688,1215 3.738,1216 3.747,1217 3.811,1218 3.654,1219 3.575,1220 4.384,1221 3.586,1222 3.479,1223 3.561,1224 3.306,1225 3.31,1226 4.151,1227 3.296,1228 3.235,1229 3.305,1230 3.124,1231 3.093,1232 4.048,1233 3.091,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.807,1239 2.91,1240 2.898,1241 3.009,1242 2.764,1243 2.735,1244 3.674,1245 2.715,1246 0.134,1247 0.107,1248 0.204,1249 0.126,1250 0.095,1251 4.282,1252 0.118,1253 3.426,1254 0.037,1255 6.517,1256 0.321,1257 4.017,1258 0.093,1259 3.041,1260 3.782,1261 1.193,1262 10.265,1263 2.977,1264 1.979,1265 1.951,1266 2.088,1267 2.082,1268 1.323,1269 2.08,1270 1.833,1271 1.794,1272 2.021,1273 2.036,1274 1.241,1275 2.039,1276 1.824,1277 1.767,1278 1.961,1279 1.905,1280 1.029,1281 1.926,1282 1.698,1283 1.639,1284 1.85,1285 1.891,1286 1.01,1287 1.882,1288 1.488,1289 1.411,1290 1.755,1291 1.696,1292 0.825,1293 1.727,1294 1.213,1295 1.157,1296 1.513,1297 1.41,1298 0.794,1299 1.429,1300 1.153,1301 1.064,1302 1.417,1303 1.376,1304 0.571,1305 1.415,1306 0.934,1307 0.821,1308 1.415,1309 1.239,1310 0.469,1311 1.308,1312 4.174,1314 5.468,1316 6.967,1318 8.55,1320 10.173,1322 4.508,1328 4.023,1329 3.63,1332 0.626,1333 4.781,1340 35.429,1341 77.233,1342 180.69,1343 230.69,1344 258.743,1345 264.253,1346 264.253,1347 37.339,1348 7.39,1349 44.29,1350 44.29,1351 24,1352 12.439,1353 4.248,1354 3.322,1355 44.588,1356 116,1357 122,1358 0.185,1359 219.038,1360 372.86,1361 526.213,1362 15506,1364 20.054,1365 0.692,1366 0.593,1367 20.054,1368 17.2,1369 14.204,1370 0.444,1371 0.325,1372 10.282,1373 13.807,1374 9.983,1375 8.325,1376 14.204,1377 10.39,1378 12.407,1379 0.289,1380 0.18,1381 12.407,1382 7.757,1383 10.365,1384 0.185,1385 0.099,1386 10.365,1387 5.528,1388 8.537,1389 0.12,1390 0.054,1391 8.537,1392 3.817,1393 7.063,1394 0.078,1395 0.028,1396 7.063,1397 2.583,1398 0.29,1399 87.642,1400 0.213,1401 27.514,1402 0.509,1403 150,1404 340.913,1405 160.879,1406 341.349,1407 484.18,1408 324,1409 174,1410 369.535,1411 185.712,1412 377.521,1413 550.64,1414 357,1415 4.693}
{0 CHEMBL1834072,1 1.284,2 11.103,3 6.155,4 37.884,5 122.339,6 6.552,7 0.563,8 4.141,9 4.279,10 3.612,11 3.711,12 5.112,13 3.655,14 4.7,15 4.899,16 3.943,17 4.115,18 5.588,19 4.024,20 5.01,21 5.254,22 4.002,23 4.284,24 5.79,25 4.154,26 5.119,27 5.397,28 3.961,29 4.29,30 5.887,31 4.141,32 5.103,33 5.386,34 3.976,35 4.286,36 5.895,37 4.144,38 5.019,39 5.291,40 3.945,41 4.235,42 5.859,43 4.107,44 4.889,45 5.139,46 3.867,47 4.139,48 5.77,49 4.012,50 4.842,51 5.117,52 3.705,53 4.026,54 5.662,55 3.892,56 0.067,57 0.86,58 13.657,59 5.533,60 11.317,61 8.01,62 0.258,63 1.432,64 24.669,65 9.472,66 23.463,67 13.783,68 0.218,69 1.819,70 33.864,71 12.602,72 26.947,73 18.817,74 0.353,75 1.969,76 38.444,77 13.411,78 35.92,79 20.326,80 0.292,81 1.921,82 37.754,83 13.267,84 38.348,85 20.153,86 0.292,87 1.803,88 34.732,89 11.877,90 37.851,91 18.135,92 0.214,93 1.613,94 30.176,95 10.753,96 35.765,97 16.253,98 0.278,99 1.511,100 29.282,101 9.427,102 33.935,103 14.634,104 6,105 43,106 0.209,107 0.509,108 0.672,109 0.733,110 0.748,111 0.748,112 3.408,113 0.998,114 -6.56,115 -6.39,116 -5.92,121 42.4,122 2,123 2,124 2,127 2,129 1,144 11,145 2,147 1,149 1,152 1,176 17,179 3,180 4,183 1,185 3,187 19,192 1,197 4,200 14,206 8,209 2,211 4,214 10,219 8,224 2,227 14,232 10,237 2,239 14,244 14,249 1,251 7,256 8,261 1,264 6,269 4,274 2,277 12,281 1388,282 19.982,283 19.982,284 19.982,285 19.982,286 19.982,287 17.83,288 21.951,289 12.114,290 20.269,291 15.837,292 15.837,293 15.837,294 15.837,295 15.837,296 12.763,297 34.498,298 5.774,299 16.329,300 4.598,301 2.755,302 1.747,303 1.373,304 1.28,305 1.28,306 4.109,312 1,313 698,314 3.162,318 403.433,325 1.762,326 13.18,329 0.75,330 0.83,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.78,337 60,338 322,339 4.282,340 3.426,341 6.517,342 4.017,343 3.041,344 3.782,345 1.193,346 10.265,347 2.977,348 4.143,349 3.132,350 6.181,351 3.852,352 2.909,353 3.673,354 0.8,355 9.203,356 2.777,357 3.754,358 2.697,359 5.893,360 3.642,361 2.671,362 3.298,363 0.14,364 8.095,365 2.552,366 3.736,367 2.462,368 5.297,369 3.278,370 2.294,371 2.864,373 6.79,374 2.278,375 3.523,376 2.361,377 5.247,378 3.237,379 2.278,380 2.666,382 6.4,383 2.157,384 3.104,385 1.806,386 4.386,387 2.696,388 1.716,389 2.327,391 4.266,392 1.684,393 2.83,394 1.648,395 4.099,396 2.518,397 1.56,398 1.919,400 3.677,401 1.492,402 2.781,403 1.38,404 3.725,405 2.317,406 1.317,407 1.908,409 2.88,410 1.317,411 2.588,412 1.27,413 3.555,414 2.197,415 1.24,416 1.614,418 2.821,419 1.183,420 2.5,421 1.077,422 3.481,423 2,424 1,425 1.5,427 2.455,428 1,429 2.5,430 1.061,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.13,439 1,440 3.351,441 1.984,442 1,443 1.11,445 2.136,446 0.983,447 2.057,448 1,449 3.247,450 1.954,451 1,452 1,454 2.136,455 0.951,456 2,457 0.854,458 3.247,459 1.696,460 0.735,461 0.943,463 1.946,464 0.704,465 1.035,466 -0.047,467 2.703,468 0.688,469 -0.263,470 -0.324,472 -0.674,473 -0.249,474 14.1,475 0.486,476 0.554,477 0.019,478 37.25,479 1.284,480 19,481 0.655,482 18.25,483 0.629,484 26.129,485 0.901,486 30.9,487 0.524,488 25.666,489 0.885,490 6.851,491 0.236,492 7.352,493 0.254,494 0.071,496 0.277,501 0.96,502 1.338,503 0.92,504 1.112,505 0.93,506 1.03,507 0.917,508 1.058,509 1.007,510 1.053,511 0.751,512 1.04,513 1.07,514 1.212,515 1.016,516 1.099,517 0.896,518 1.061,519 1.249,520 0.987,521 1.012,522 0.945,523 1.111,524 0.957,525 1.239,526 0.944,527 0.91,528 0.85,529 1.058,530 0.854,531 1.478,532 0.918,533 0.981,534 0.835,535 1.204,536 0.863,537 1.25,538 1.208,539 1.039,540 1.071,541 1.164,542 1.044,543 1.823,544 0.905,545 1.109,546 0.845,547 1.564,548 0.908,549 4.5,550 0.099,551 2.889,552 1.5,553 1.107,554 0.688,555 0.425,556 0.486,557 0.254,558 0.071,559 10924,560 20641,561 2.132,562 50.8,563 8,564 16,566 1,567 1,569 4,572 1.722,573 2.047,574 3.428,575 -0.439,582 75.773,583 1.284,584 3.127,585 4.136,586 4.509,587 4.603,588 4.603,589 2.902,590 3.866,591 4.829,592 3.626,593 1472.35,594 8.424,595 20016.5,600 347.076,601 1.178,602 4.812,603 0.141,604 0.005,605 0.067,606 0.034,607 0.027,608 0.016,609 0.01,610 0.013,611 0.008,612 0.003,613 0.323,614 0.33,615 0.88,616 0.601,617 147.288,618 0.051,619 -0.15,620 0.067,621 -0.034,622 0.028,623 0.009,624 0.287,625 0.069,626 -0.007,627 -0.039,628 0.204,629 -0.044,630 -0.002,631 -0.18,632 -0.027,633 -0.107,634 0.03,635 -0.075,636 0.021,637 0.023,638 -0.006,639 0.002,640 -0.009,641 -0.003,642 -0.042,643 0.051,644 0.091,645 0.103,646 0.048,647 0.107,648 -0.144,649 0.115,650 0.03,651 0.112,652 -0.033,653 0.09,654 -0.04,655 -0.165,656 -0.038,657 -0.099,658 0.053,659 -0.074,660 -0.28,661 0.151,662 -0.083,663 0.076,664 -0.212,665 0.023,666 1.285,667 1.861,668 0.828,669 27.218,670 0.981,671 1.125,672 5.333,673 28.436,674 0.66,675 3.497,676 3.784,677 4.043,678 4.277,679 4.522,680 4.543,681 4.7,682 4.762,683 4.844,684 4.86,685 6.726,686 0.609,687 386.59,688 3.497,689 5.017,690 5.855,691 6.713,692 7.568,693 8.432,694 9.294,695 10.161,696 11.025,697 11.894,698 6.8,703 1,704 1,708 2,715 12,716 2,720 4,722 18,734 1,736 1,741 59,743 18,744 2,745 32,747 62,748 25,749 16,750 2,751 10,756 4,757 4,763 2,767 2,768 1,770 3,772 16,773 9,774 2,793 30,794 4,795 1,796 4,802 4,808 1,823 1,829 4,859 4,864 2,868 29,876 4,877 1,880 3,881 1,901 14.167,902 10.85,903 6.444,904 3.807,907 2.331,908 1.315,909 0.975,910 6.337,911 9.72,912 3.738,913 4.256,914 4.76,915 5.267,916 5.787,917 5.827,918 6.237,919 6.603,920 6.949,921 7.2,922 1,923 44,924 10.732,926 4.455,927 0.026,929 7.402,931 21.356,933 17.792,936 1.902,937 55.167,941 341.362,942 150.815,943 54.706,948 150.815,949 341.362,950 54.706,951 17.65,952 9.28,953 104.239,954 63.353,955 18.543,956 4.227,957 329.591,959 341.362,960 205.521,964 294.278,965 47.084,968 37.877,969 116.062,970 51.582,972 341.362,973 54.706,974 150.815,977 341.362,978 19.879,979 134.061,980 18.011,981 33.571,982 341.362,983 54.706,984 150.815,986 0.571,987 0.33,988 0.179,989 0.101,990 20,991 8,992 0.097,993 6,995 1,996 4.098,997 253.904,999 24,1000 114.881,1005 19.757,1006 9.301,1007 4.901,1009 54.706,1010 24.877,1011 9.421,1015 4.129,1017 18.011,1018 546.883,1019 41,1031 57.894,1032 66.391,1034 0.218,1035 0.532,1036 0.703,1037 0.767,1038 0.782,1039 0.782,1040 4.952,1041 1.317,1042 5.808,1043 3.677,1044 4.466,1045 4.942,1046 1.457,1047 6.575,1048 4.404,1049 6.104,1050 1.24,1051 7.335,1052 2.88,1053 3.892,1054 4.369,1055 0.914,1056 7.394,1057 3.784,1058 7.364,1059 1,1060 8.966,1061 2.821,1062 6.009,1063 6.971,1064 1.357,1065 10.487,1066 5.879,1067 8.655,1068 1,1069 10.66,1070 2.455,1071 6.293,1072 7.197,1073 1.243,1074 12.169,1075 6.118,1076 9.978,1077 1,1078 12.396,1079 2.275,1080 7.836,1081 9.266,1082 1.467,1083 14.744,1084 7.64,1085 11.323,1086 1,1087 14.16,1088 2.136,1089 8.525,1090 9.898,1091 1.512,1092 16.773,1093 8.288,1094 12.686,1095 0.735,1096 15.944,1097 2.136,1098 9.813,1099 11.69,1100 1.68,1101 19.169,1102 9.554,1103 3.041,1104 -0.263,1105 17.741,1106 1.946,1107 10.704,1108 12.56,1109 1.791,1110 21.35,1111 10.409,1112 2.909,1113 10.265,1114 19.549,1115 -0.674,1116 11.876,1117 14.185,1118 1.947,1119 23.683,1120 11.558,1121 2.671,1122 9.203,1123 21.365,1124 3.782,1125 12.867,1126 15.208,1127 2.087,1128 25.932,1129 12.517,1130 2.294,1131 8.095,1132 23.187,1133 3.673,1134 13.989,1135 16.726,1136 2.245,1137 28.245,1138 13.616,1139 2.278,1140 6.79,1141 25.014,1142 3.298,1143 15.03,1144 17.848,1145 2.399,1146 30.526,1147 14.629,1148 1.716,1149 6.4,1150 26.846,1151 2.864,1152 16.132,1153 19.297,1154 2.561,1155 32.835,1156 15.707,1157 1.56,1158 4.266,1159 28.682,1160 2.666,1161 17.198,1162 20.485,1163 2.723,1164 35.132,1165 16.748,1166 10374,1167 14444,1168 21.959,1169 38.921,1170 47.982,1171 47.406,1172 48.063,1173 47.564,1174 47.522,1175 60.208,1176 4.266,1177 130.69,1178 46.11,1179 5.282,1180 5.426,1181 6.318,1182 5.091,1183 5.041,1184 6.782,1185 1.873,1186 16.999,1187 4.977,1188 10.467,1189 1.499,1190 1.481,1191 1.502,1192 1.486,1193 1.485,1194 1.881,1195 0.133,1196 4.084,1197 1.441,1198 4.022,1199 4.065,1200 3.959,1201 3.944,1202 5.003,1203 3.941,1204 3.917,1205 3.967,1206 3.834,1207 3.79,1208 4.796,1209 3.789,1210 3.808,1211 3.841,1212 3.729,1213 3.753,1214 4.688,1215 3.743,1216 3.767,1217 3.823,1218 3.677,1219 3.617,1220 4.34,1221 3.632,1222 3.479,1223 3.561,1224 3.308,1225 3.31,1226 4.15,1227 3.297,1228 3.237,1229 3.306,1230 3.124,1231 3.094,1232 4.048,1233 3.092,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.804,1239 2.91,1240 2.944,1241 3.031,1242 2.788,1243 2.745,1244 3.674,1245 2.749,1246 0.134,1247 0.107,1248 0.204,1249 0.126,1250 0.095,1251 4.282,1252 0.118,1253 3.426,1254 0.037,1255 6.517,1256 0.321,1257 4.017,1258 0.093,1259 3.041,1260 3.782,1261 1.193,1262 10.265,1263 2.977,1264 1.979,1265 1.951,1266 2.1,1267 2.086,1268 1.48,1269 2.088,1270 1.897,1271 1.842,1272 2.086,1273 2.043,1274 1.242,1275 2.06,1276 1.824,1277 1.794,1278 1.961,1279 1.905,1280 1.036,1281 1.926,1282 1.72,1283 1.669,1284 1.852,1285 1.898,1286 1.01,1287 1.891,1288 1.488,1289 1.411,1290 1.76,1291 1.696,1292 0.825,1293 1.727,1294 1.215,1295 1.158,1296 1.513,1297 1.411,1298 0.798,1299 1.429,1300 1.153,1301 1.064,1302 1.417,1303 1.376,1304 0.577,1305 1.417,1306 0.934,1307 0.841,1308 1.416,1309 1.239,1310 0.482,1311 1.308,1312 4.174,1314 5.468,1316 6.967,1318 8.55,1320 10.173,1322 4.656,1328 4.505,1329 3.64,1332 1.614,1333 2.324,1340 35.934,1341 75.773,1342 184.516,1343 244.003,1344 266.056,1345 271.566,1346 271.566,1347 39.765,1348 7.39,1349 41.05,1350 41.05,1351 24,1352 12.439,1353 4.248,1354 3.322,1355 44.588,1356 116,1357 122,1358 0.185,1359 221.836,1360 379.16,1361 533.04,1362 15506,1364 20.054,1365 0.692,1366 0.598,1367 20.054,1368 17.33,1369 14.204,1370 0.444,1371 0.333,1372 10.571,1373 13.916,1374 10.254,1375 8.587,1376 14.204,1377 10.649,1378 12.407,1379 0.289,1380 0.191,1381 12.407,1382 8.209,1383 10.365,1384 0.185,1385 0.107,1386 10.365,1387 5.966,1388 8.537,1389 0.12,1390 0.058,1391 8.537,1392 4.145,1393 7.063,1394 0.078,1395 0.031,1396 7.063,1397 2.825,1398 0.29,1399 87.067,1400 0.213,1401 27.514,1402 0.509,1403 150,1404 321.268,1405 158.465,1406 324.956,1407 461.86,1408 308,1409 174,1410 353.07,1411 183.159,1412 362.691,1413 528.62,1414 343,1415 4.372}
{0 CHEMBL1834073,1 1.332,2 11.759,3 5.108,4 26.09,5 121.822,6 6.682,7 0.563,8 4.133,9 4.275,10 3.623,11 3.674,12 5.115,13 3.629,14 4.687,15 4.894,16 3.933,17 4.056,18 5.595,19 3.979,20 4.96,21 5.211,22 3.981,23 4.208,24 5.756,25 4.094,26 5.025,27 5.293,28 3.95,29 4.219,30 5.82,31 4.09,32 5.033,33 5.3,34 3.994,35 4.261,36 5.863,37 4.136,38 5.024,39 5.286,40 3.961,41 4.251,42 5.87,43 4.118,44 4.959,45 5.236,46 3.848,47 4.133,48 5.789,49 3.998,50 4.792,51 5.061,52 3.705,53 3.987,54 5.609,55 3.858,56 0.063,57 0.879,58 13.338,59 5.139,60 10.185,61 7.553,62 0.292,63 1.433,64 24.389,65 8.367,66 23.562,67 12.549,68 0.275,69 1.742,70 32.46,71 11.1,72 26.571,73 16.949,74 0.348,75 1.813,76 35.022,77 11.651,78 32.554,79 17.899,80 0.333,81 1.827,82 35.139,83 12.236,84 36.046,85 18.531,86 0.258,87 1.806,88 34.623,89 12.217,90 36.067,91 18.542,92 0.297,93 1.667,94 32.817,95 11.028,96 37.317,97 16.956,98 0.239,99 1.427,100 27.677,101 9.137,102 29.47,103 14.134,104 4,105 42,106 0.217,107 0.504,108 0.653,109 0.752,110 0.768,111 0.768,112 3.408,113 0.984,114 -5.57,115 -5.44,116 -5.08,121 41.4,122 1,123 1,127 5,129 1,144 11,145 2,147 1,149 1,152 1,176 13,179 3,180 3,183 1,185 3,187 13,191 1,192 1,197 4,200 10,206 3,209 2,211 4,214 10,218 2,219 5,224 2,227 14,232 9,239 12,244 13,247 1,251 6,256 10,264 1,269 6,274 1,277 1,281 1411,282 20.353,283 20.353,284 20.353,285 20.353,286 20.353,287 18.201,288 25.96,289 12.582,290 20.758,291 15.835,292 15.835,293 15.835,294 15.835,295 15.835,296 12.76,297 41.48,298 5.949,299 16.519,300 4.526,301 2.77,302 1.854,303 1.246,304 1.151,305 1.151,306 4.112,311 1,312 1,313 740,314 3,318 403.927,325 1.922,326 13.148,329 0.75,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.86,337 60.5,338 341,339 4.282,340 3.426,341 6.517,342 4.017,343 3.04,344 3.782,345 1.193,346 10.265,347 2.977,348 4.141,349 3.151,350 6.171,351 3.806,352 2.889,353 3.673,354 0.8,355 9.183,356 2.643,357 3.736,358 2.76,359 5.372,360 3.422,361 2.494,362 3.298,363 0.8,364 7.057,365 2.313,366 3.647,367 2.456,368 5.247,369 3.278,370 2.278,371 2.84,372 0.14,373 6.642,374 2.278,375 3.397,376 2.361,377 5.247,378 3.165,379 2.235,380 2.471,382 6.4,383 2.072,384 3.099,385 1.793,386 4.329,387 2.685,388 1.701,389 2.318,391 4.129,392 1.675,393 2.786,394 1.606,395 4.088,396 2.415,397 1.481,398 1.908,400 3.636,401 1.38,402 2.781,403 1.38,404 3.555,405 2.317,406 1.317,407 1.877,409 2.88,410 1.317,411 2.521,412 1.217,413 3.492,414 2.136,415 1.175,416 1.526,418 2.574,419 1.126,420 2.5,421 1.146,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1.082,431 3.352,432 2,433 1,434 1.5,436 2.136,437 1,438 2.069,439 1,440 3.247,441 1.967,442 1,443 1.053,445 2.136,446 0.965,447 2.052,448 1,449 3.247,450 1.957,451 1,452 1,454 1.95,455 0.954,456 2,457 0.854,458 3.154,459 1.696,460 0.735,461 0.943,463 1.811,464 0.705,465 1.046,466 0.019,467 2.701,468 0.842,469 -0.118,470 -0.122,472 -0.218,473 -0.112,474 14,475 0.483,476 0.427,477 0.015,478 38,479 1.31,480 19,481 0.655,482 19,483 0.655,484 23.901,485 0.824,486 31,487 0.534,488 27.059,489 0.933,490 7.423,491 0.256,492 6.908,493 0.238,494 0.036,496 0.236,501 0.988,502 1.467,503 0.895,504 1.157,505 0.88,506 1.041,507 1.223,508 1.061,509 1.046,510 1.003,511 0.865,512 1.007,513 1.188,514 1.114,515 1.006,516 1.009,517 0.933,518 0.994,519 1.251,520 0.984,521 1.022,522 0.939,523 1.155,524 0.956,525 1.103,526 0.902,527 0.952,528 0.885,529 1.077,530 0.901,531 1.096,532 1.069,533 0.993,534 1.002,535 1.105,536 0.991,537 1.181,538 0.98,539 0.97,540 0.916,541 1.168,542 0.922,543 1.346,544 1.023,545 1.032,546 0.94,547 1.23,548 0.954,549 4,550 0.111,551 2.444,552 1.25,553 1.067,554 0.653,555 0.384,556 0.455,557 0.209,558 0.066,559 11044,560 22039,561 2.154,562 50,563 3,564 22,566 1,567 1,569 2,572 1.722,573 2.096,574 3.481,575 -0.405,582 77.233,583 1.332,584 3.088,585 4.004,586 4.612,587 4.707,588 4.707,589 2.945,590 3.935,591 4.826,592 3.661,593 1486.24,594 8.421,595 20227.7,600 339.763,601 1,602 4.824,603 0.125,604 0.005,605 0.058,606 0.029,607 0.026,608 0.015,609 0.009,610 0.012,611 0.007,612 0.002,613 0.289,614 0.33,615 0.88,616 0.67,617 147.563,618 0.049,619 -0.254,620 0.075,621 -0.084,622 0.055,623 -0.016,624 0.137,625 0.094,626 -0.04,627 -0.022,628 0.118,629 -0.043,630 -0.024,631 -0.07,632 -0.01,633 -0.036,634 0.017,635 -0.024,636 -0.026,637 0.039,638 -0.019,639 0.012,640 -0.021,642 0.005,643 0.111,644 0.042,645 0.087,646 0.048,647 0.071,648 -0.064,649 -0.062,650 -0.008,651 -0.019,652 -0.005,653 -0.01,654 -0.028,655 0.016,656 0.03,657 0.039,658 0.014,659 0.04,660 -0.139,661 -0.005,662 -0.03,663 0.013,664 -0.059,665 0.004,666 1.29,667 1.843,668 0.828,669 28.147,670 0.985,671 1.129,672 4.337,673 18.812,674 0.658,675 3.497,676 3.761,677 4.025,678 4.277,679 4.522,680 4.522,681 4.682,682 4.779,683 4.828,684 4.86,685 6.816,686 0.611,687 387.58,688 3.497,689 5.004,690 5.838,691 6.691,692 7.543,693 8.404,694 9.264,695 10.129,696 10.992,697 11.859,698 8.6,701 1,703 1,704 1,708 2,715 12,716 2,720 4,722 18,734 1,736 1,741 58,743 18,744 2,745 32,747 61,748 24,749 16,750 2,751 10,756 4,757 4,763 1,770 2,772 16,773 8,793 29,794 5,795 1,796 5,802 5,808 1,823 1,829 4,855 1,859 4,864 1,868 29,876 6,877 1,880 1,881 2,901 13.833,902 10.383,903 6.583,904 3.746,907 2.331,908 1.315,909 0.987,910 6.631,911 9.72,912 3.738,913 4.241,914 4.751,915 5.267,916 5.787,917 5.821,918 6.229,919 6.602,920 6.94,921 7.195,922 0.875,923 43,924 10.721,926 4.413,927 0.026,929 7.414,931 21.257,933 17.38,936 1.914,937 55.5,940 1,941 329.591,942 145.773,943 57.83,948 145.773,949 329.591,950 57.83,951 8.825,952 13.063,953 104.239,954 63.353,955 21.667,956 4.227,957 317.82,959 329.591,960 203.603,964 306.049,965 23.542,968 35.959,969 116.062,970 51.582,972 329.591,973 57.83,974 145.773,977 329.591,978 23.661,979 128.36,980 18.011,981 33.571,982 329.591,983 57.83,984 145.773,986 0.558,987 0.325,988 0.185,989 0.105,990 19,991 7,992 0.115,993 7,995 1,996 4.143,997 251.965,999 24,1000 116.881,1005 19.72,1006 9.752,1007 5.072,1009 57.83,1010 24.828,1011 9.387,1015 4.091,1017 18.011,1018 533.194,1019 41,1031 57.112,1032 65.474,1034 0.227,1035 0.527,1036 0.683,1037 0.787,1038 0.804,1039 0.804,1040 4.938,1041 1.317,1042 5.771,1043 3.636,1044 4.443,1045 4.927,1046 1.659,1047 6.524,1048 4.357,1049 6.077,1050 1.175,1051 7.281,1052 2.88,1053 3.761,1054 4.29,1055 1.057,1056 7.298,1057 3.594,1058 7.329,1059 1,1060 8.896,1061 2.574,1062 5.964,1063 6.954,1064 1.469,1065 10.41,1066 5.783,1067 8.614,1068 1,1069 10.576,1070 2.275,1071 6.176,1072 7.151,1073 1.328,1074 12.077,1075 5.917,1076 9.933,1077 1,1078 12.301,1079 2.136,1080 7.766,1081 9.25,1082 1.528,1083 14.662,1084 7.493,1085 11.276,1086 1,1087 14.056,1088 2.136,1089 8.414,1090 9.871,1091 1.557,1092 16.693,1093 8.079,1094 12.637,1095 0.735,1096 15.833,1097 1.95,1098 9.726,1099 11.677,1100 1.711,1101 19.098,1102 9.372,1103 3.04,1104 -0.118,1105 17.626,1106 1.811,1107 10.596,1108 12.544,1109 1.813,1110 21.285,1111 10.194,1112 2.889,1113 10.265,1114 19.432,1115 -0.218,1116 11.781,1117 14.176,1118 1.962,1119 23.627,1120 11.358,1121 2.494,1122 9.183,1123 21.247,1124 3.782,1125 12.763,1126 15.198,1127 2.098,1128 25.883,1129 12.304,1130 2.278,1131 7.057,1132 23.069,1133 3.673,1134 13.892,1135 16.72,1136 2.252,1137 28.203,1138 13.411,1139 2.235,1140 6.642,1141 24.898,1142 3.298,1143 14.931,1144 17.843,1145 2.404,1146 30.49,1147 14.422,1148 1.701,1149 6.4,1150 26.733,1151 2.84,1152 16.037,1153 19.293,1154 2.564,1155 32.804,1156 15.507,1157 1.481,1158 4.129,1159 28.571,1160 2.471,1161 17.104,1162 20.482,1163 2.726,1164 35.106,1165 16.551,1166 10483,1167 14969,1168 22.246,1169 38.165,1170 47.145,1171 46.475,1172 47.517,1173 46.773,1174 46.695,1175 59.377,1176 5.866,1177 126.147,1178 44.812,1179 5.282,1180 5.426,1181 6.318,1182 5.091,1183 5.04,1184 6.782,1185 1.873,1186 16.999,1187 4.977,1188 7.634,1189 1.473,1190 1.452,1191 1.485,1192 1.462,1193 1.459,1194 1.856,1195 0.183,1196 3.942,1197 1.4,1198 4.018,1199 4.061,1200 3.957,1201 3.942,1202 5.003,1203 3.939,1204 3.894,1205 3.953,1206 3.825,1207 3.753,1208 4.796,1209 3.743,1210 3.808,1211 3.841,1212 3.729,1213 3.711,1214 4.688,1215 3.733,1216 3.738,1217 3.804,1218 3.639,1219 3.564,1220 4.351,1221 3.574,1222 3.505,1223 3.587,1224 3.317,1225 3.341,1226 4.145,1227 3.323,1228 3.24,1229 3.31,1230 3.131,1231 3.094,1232 4.044,1233 3.093,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.821,1239 2.91,1240 3.014,1241 3.115,1242 2.853,1243 2.769,1244 3.697,1245 2.779,1246 0.134,1247 0.107,1248 0.204,1249 0.126,1250 0.095,1251 4.282,1252 0.118,1253 3.426,1254 0.037,1255 6.517,1256 0.321,1257 4.017,1258 0.093,1259 3.04,1260 3.782,1261 1.193,1262 10.265,1263 2.977,1264 1.979,1265 1.951,1266 2.088,1267 2.081,1268 1.327,1269 2.08,1270 1.827,1271 1.794,1272 2.016,1273 2.033,1274 1.241,1275 2.035,1276 1.824,1277 1.761,1278 1.961,1279 1.905,1280 1.096,1281 1.926,1282 1.692,1283 1.631,1284 1.866,1285 1.886,1286 1.01,1287 1.881,1288 1.52,1289 1.443,1290 1.773,1291 1.724,1292 0.825,1293 1.757,1294 1.215,1295 1.158,1296 1.513,1297 1.416,1298 0.797,1299 1.429,1300 1.153,1301 1.064,1302 1.417,1303 1.376,1304 0.576,1305 1.42,1306 0.985,1307 0.883,1308 1.349,1309 1.273,1310 0.52,1311 1.301,1312 4.174,1314 5.451,1316 6.938,1318 8.514,1320 10.134,1322 2.237,1328 6.48,1329 3.632,1332 0.043,1333 4.802,1340 35.429,1341 77.233,1342 179.08,1343 232.225,1344 267.498,1345 273.008,1346 273.008,1347 36.784,1348 7.39,1349 44.29,1350 44.29,1351 24,1352 12.405,1353 4.248,1354 3.322,1355 44.603,1356 117,1357 147,1358 0.183,1359 219.038,1360 372.86,1361 526.213,1362 15635,1364 19.891,1365 0.686,1366 0.587,1367 19.891,1368 17.037,1369 14.331,1370 0.448,1371 0.328,1372 10.391,1373 13.938,1374 10.15,1375 8.46,1376 14.331,1377 10.5,1378 12.058,1379 0.287,1380 0.178,1381 12.058,1382 7.469,1383 10.195,1384 0.185,1385 0.098,1386 10.195,1387 5.396,1388 8.611,1389 0.121,1390 0.054,1391 8.611,1392 3.867,1393 7.189,1394 0.079,1395 0.03,1396 7.189,1397 2.707,1398 0.287,1399 88.443,1400 0.212,1401 27.591,1402 0.501,1403 148,1404 338.913,1405 158.546,1406 338.829,1407 480,1408 322,1409 171,1410 364.183,1411 182.712,1412 371.813,1413 543.48,1414 352,1415 4.836}
{0 CHEMBL1834074,1 1.308,2 12.625,3 6.094,4 37.132,5 133.563,6 6.579,7 0.5,8 4.251,9 4.391,10 3.733,11 3.805,12 5.183,13 3.755,14 4.835,15 5.037,16 4.064,17 4.22,18 5.695,19 4.135,20 5.159,21 5.418,22 4.115,23 4.388,24 5.894,25 4.26,26 5.211,27 5.485,28 4.073,29 4.391,30 5.95,31 4.247,32 5.222,33 5.499,34 4.108,35 4.42,36 5.984,37 4.279,38 5.2,39 5.473,40 4.061,41 4.394,42 5.981,43 4.247,44 5.111,45 5.398,46 3.956,47 4.257,48 5.895,49 4.111,50 4.932,51 5.211,52 3.84,53 4.1,54 5.73,55 3.977,56 0.074,57 0.981,58 15.261,59 5.999,60 10.703,61 8.782,62 0.304,63 1.656,64 28.399,65 10.195,66 24.456,67 15.16,68 0.325,69 2.092,70 39.756,71 13.886,72 29,73 21.126,74 0.389,75 2.156,76 42.167,77 14.495,78 35.102,79 22.123,80 0.378,81 2.164,82 42.513,83 15.104,84 38.406,85 22.824,86 0.307,87 2.116,88 41.453,89 14.727,90 38.336,91 22.36,92 0.325,93 1.918,94 38.241,95 13.009,96 38.76,97 20.005,98 0.302,99 1.642,100 32.108,101 10.062,102 32.334,103 15.85,105 48,106 0.208,107 0.49,108 0.636,109 0.735,110 0.762,111 0.762,112 3.502,113 1.004,114 -6.18,115 -6.02,116 -5.6,121 41.5,123 5,127 4,129 2,144 11,145 2,147 1,149 1,152 1,176 16,179 3,180 4,183 1,185 3,187 17,191 1,192 2,197 4,200 12,206 4,209 2,211 4,214 10,218 2,219 6,224 2,227 14,232 10,239 12,244 16,247 1,251 6,256 12,264 1,269 8,274 2,277 2,281 1808,282 22.551,283 22.551,284 22.551,285 22.551,286 22.551,287 20.399,288 27.541,289 13.831,290 22.951,291 17.857,292 17.857,293 17.857,294 17.857,295 17.857,296 14.783,297 45.748,298 6.63,299 18.536,300 4.715,301 2.94,302 2.024,303 1.4,304 1.231,305 1.231,306 4.219,312 1,313 898,314 2.739,318 560.75,325 2.109,326 13.666,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 66.5,338 404,339 4.282,340 3.426,341 6.517,342 4.017,343 3.041,344 3.782,345 1.193,346 10.265,347 2.977,348 4.144,349 3.203,350 6.21,351 3.862,352 2.933,353 3.673,354 0.8,355 9.286,356 2.726,357 3.844,358 2.983,359 6.089,360 3.694,361 2.761,362 3.298,363 0.8,364 8.899,365 2.568,366 3.736,367 2.488,368 5.301,369 3.278,370 2.318,371 2.899,372 0.14,373 6.813,374 2.278,375 3.556,376 2.361,377 5.247,378 3.262,379 2.278,380 2.749,382 6.4,383 2.184,384 3.111,385 1.998,386 4.57,387 2.857,388 1.894,389 2.33,391 4.822,392 1.819,393 2.959,394 1.779,395 4.25,396 2.678,397 1.69,398 2.015,400 3.952,401 1.668,402 2.781,403 1.585,404 4.079,405 2.415,406 1.471,407 1.908,409 3.597,410 1.385,411 2.738,412 1.38,413 3.555,414 2.317,415 1.317,416 1.802,418 2.88,419 1.317,420 2.504,421 1.251,422 3.511,423 2.158,424 1.199,425 1.504,427 2.699,428 1.146,429 2.5,430 1.146,431 3.469,432 2,433 1,434 1.5,436 2.474,437 1,438 2.5,439 1.099,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.094,448 1,449 3.352,450 2,451 1,452 1.079,454 2.136,455 1,456 2.056,457 1,458 3.247,459 1.967,460 1,461 1,463 2.136,464 0.965,465 2,466 1,467 3.247,468 1.945,469 1,470 1,472 2.136,473 0.942,474 15.5,475 0.484,476 0.479,477 0.015,478 40,479 1.25,480 19,481 0.594,482 21,483 0.656,484 29.578,485 0.924,486 34.3,487 0.528,488 28.076,489 0.877,490 7.397,491 0.231,492 8.468,493 0.265,496 0.245,501 0.974,502 1.42,503 0.905,504 1.141,505 0.811,506 1.038,507 1.159,508 1.131,509 1.075,510 1.081,511 0.812,512 1.072,513 1.187,514 1.092,515 1.011,516 1.006,517 0.868,518 0.996,519 1.217,520 1.004,521 1.031,522 0.97,523 1.082,524 0.982,525 1.073,526 0.902,527 0.939,528 0.886,529 0.978,530 0.898,531 1.118,532 1.049,533 0.992,534 0.988,535 1.042,536 0.981,537 1.145,538 1.012,539 0.929,540 0.914,541 1.097,542 0.905,543 1.616,544 0.955,545 1.005,546 0.824,547 1.502,548 0.856,549 4,550 0.099,551 2.889,552 1.438,553 0.978,554 0.701,555 0.504,556 0.47,557 0.209,558 0.062,559 15698,560 28901,561 2.213,562 50.8,563 6,564 21,566 1,567 1,569 4,572 1.745,573 2.182,574 3.595,575 -0.434,582 84.997,583 1.308,584 3.082,585 3.999,586 4.622,587 4.792,588 4.792,589 3.022,590 3.89,591 4.971,592 3.798,593 1884,594 8.696,595 27896.6,600 391.454,601 0.811,602 4.975,603 0.111,604 0.004,605 0.06,606 0.029,607 0.021,608 0.014,609 0.011,610 0.011,611 0.006,612 0.002,613 0.27,614 0.33,615 0.75,617 168.985,618 0.06,619 -0.206,620 0.082,621 -0.054,622 0.13,623 0.004,624 0.151,625 0.023,626 -0.065,627 -0.077,628 0.158,629 -0.087,630 -0.02,631 -0.059,632 -0.012,633 -0.033,634 0.057,635 -0.023,636 -0.014,637 0.01,638 -0.028,639 -0.013,640 0.016,641 -0.02,642 0.025,643 0.094,644 0.057,645 0.083,646 0.107,647 0.075,648 -0.054,649 -0.054,651 -0.013,652 0.04,653 -0.004,654 0.03,655 -0.026,656 0.074,657 0.036,658 0.09,659 0.054,660 -0.172,661 0.083,662 0.02,663 0.1,664 -0.121,665 0.08,666 1.289,667 1.91,668 0.938,669 34,670 0.983,671 1.128,672 4.95,673 24.507,674 0.657,675 3.611,676 3.892,677 4.174,678 4.431,679 4.682,680 4.682,681 4.868,682 4.977,683 5.069,684 5.13,685 7.503,686 0.607,687 427.65,688 3.611,689 5.13,690 5.974,691 6.832,692 7.69,693 8.555,694 9.419,695 10.287,696 11.154,697 12.024,698 7.7,701 1,703 1,704 1,708 2,715 12,716 2,720 4,722 18,734 1,736 1,741 65,743 18,744 2,745 36,747 69,748 27,749 16,750 2,751 10,756 5,757 5,767 6,770 7,772 16,773 11,793 33,794 5,795 1,796 5,802 5,808 1,823 1,829 5,855 1,859 5,868 32,876 9,877 1,880 2,881 2,901 14.667,902 11.217,903 7.111,904 4.296,907 2.315,908 1.293,909 0.998,910 6.883,911 10.209,912 3.829,913 4.324,914 4.826,915 5.327,916 5.835,917 5.868,918 6.275,919 6.645,920 6.992,921 7.256,922 1,923 49,924 11.876,926 4.998,927 0.026,929 7.354,931 23.866,933 20.251,936 1.854,937 59.333,941 376.675,942 144.98,943 57.83,948 144.98,949 376.675,950 57.83,952 21.095,953 104.239,954 63.353,955 21.667,956 4.227,957 364.904,959 376.675,960 202.81,964 329.591,965 47.084,968 35.166,969 116.062,970 51.582,972 376.675,973 57.83,974 144.98,977 376.675,978 31.694,979 119.535,980 18.011,981 33.571,982 376.675,983 57.83,984 144.98,986 0.565,987 0.332,988 0.188,989 0.106,990 23,991 8,992 0.087,993 6,995 1,996 4.471,997 294.769,999 30,1000 132,1005 21.271,1006 10.355,1007 5.264,1009 57.83,1010 24.972,1011 9.52,1015 4.139,1017 18.011,1018 579.485,1019 45,1031 63.879,1032 73.304,1034 0.217,1035 0.512,1036 0.664,1037 0.767,1038 0.796,1039 0.796,1040 5.047,1041 1.471,1042 5.911,1043 3.952,1044 4.575,1045 5.011,1046 1.659,1047 6.673,1048 4.498,1049 6.177,1050 1.317,1051 7.427,1052 3.597,1053 3.892,1054 4.369,1055 1.057,1056 7.466,1057 3.732,1058 7.429,1059 1.199,1060 9.049,1061 2.88,1062 6.107,1063 7.01,1064 1.469,1065 10.585,1066 5.941,1067 8.711,1068 1,1069 10.738,1070 2.699,1071 6.33,1072 7.212,1073 1.328,1074 12.271,1075 6.077,1076 10.03,1077 1,1078 12.472,1079 2.474,1080 7.926,1081 9.288,1082 1.528,1083 14.854,1084 7.666,1085 11.372,1086 1,1087 14.236,1088 2.275,1089 8.585,1090 9.913,1091 1.557,1092 16.889,1093 8.25,1094 12.732,1095 1,1096 16.021,1097 2.136,1098 9.9,1099 11.703,1100 1.711,1101 19.287,1102 9.551,1103 3.041,1104 1,1105 17.821,1106 2.136,1107 10.778,1108 12.572,1109 1.813,1110 21.468,1111 10.368,1112 2.933,1113 10.265,1114 19.631,1115 2.136,1116 11.965,1117 14.194,1118 1.962,1119 23.799,1120 11.535,1121 2.761,1122 9.286,1123 21.45,1124 3.782,1125 12.951,1126 15.216,1127 2.098,1128 26.045,1129 12.473,1130 2.318,1131 8.899,1132 23.276,1133 3.673,1134 14.081,1135 16.732,1136 2.252,1137 28.354,1138 13.579,1139 2.278,1140 6.813,1141 25.106,1142 3.298,1143 15.12,1144 17.854,1145 2.404,1146 30.629,1147 14.58,1148 1.894,1149 6.4,1150 26.94,1151 2.899,1152 16.225,1153 19.301,1154 2.564,1155 32.933,1156 15.662,1157 1.69,1158 4.822,1159 28.777,1160 2.749,1161 17.291,1162 20.489,1163 2.726,1164 35.224,1165 16.696,1166 14394,1167 19731,1168 25.424,1169 42.688,1170 53.611,1171 53.05,1172 53.363,1173 53.359,1174 53.279,1175 65.964,1176 5.866,1177 145.433,1178 51.363,1179 5.282,1180 5.426,1181 6.318,1182 5.092,1183 5.041,1184 6.782,1185 1.873,1186 16.999,1187 4.977,1189 1.489,1190 1.474,1191 1.482,1192 1.482,1193 1.48,1194 1.832,1195 0.163,1196 4.04,1197 1.427,1198 4.026,1199 4.072,1200 3.961,1201 3.944,1202 5.004,1203 3.941,1204 3.929,1205 3.981,1206 3.84,1207 3.79,1208 4.796,1209 3.789,1210 3.823,1211 3.881,1212 3.737,1213 3.753,1214 4.688,1215 3.743,1216 3.808,1217 3.841,1218 3.729,1219 3.662,1220 4.382,1221 3.679,1222 3.643,1223 3.713,1224 3.51,1225 3.475,1226 4.174,1227 3.476,1228 3.247,1229 3.319,1230 3.143,1231 3.097,1232 4.11,1233 3.097,1234 3.132,1235 3.216,1236 2.974,1237 2.949,1238 3.827,1239 2.941,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.704,1245 2.91,1246 0.119,1247 0.095,1248 0.181,1249 0.112,1250 0.084,1251 4.282,1252 0.105,1253 3.426,1254 0.033,1255 6.517,1256 0.285,1257 4.017,1258 0.083,1259 3.041,1260 3.782,1261 1.193,1262 10.265,1263 2.977,1264 1.979,1265 1.951,1266 2.11,1267 2.094,1268 1.5,1269 2.096,1270 1.902,1271 1.843,1272 2.088,1273 2.058,1274 1.256,1275 2.071,1276 1.824,1277 1.794,1278 1.961,1279 1.961,1280 1.24,1281 1.963,1282 1.775,1283 1.718,1284 1.942,1285 1.905,1286 1.01,1287 1.926,1288 1.62,1289 1.554,1290 1.786,1291 1.816,1292 0.825,1293 1.819,1294 1.219,1295 1.161,1296 1.513,1297 1.426,1298 0.825,1299 1.431,1300 1.153,1301 1.064,1302 1.513,1303 1.376,1304 0.82,1305 1.429,1306 1.153,1307 1.064,1308 1.452,1309 1.376,1310 0.77,1311 1.429,1312 4.29,1314 5.58,1316 7.081,1318 8.667,1320 10.294,1328 11.174,1329 3.663,1332 0.834,1333 5.031,1340 39.482,1341 84.997,1342 200.332,1343 259.916,1344 300.434,1345 311.454,1346 311.454,1347 40.749,1348 7.894,1349 44.29,1350 44.29,1351 30,1352 12.568,1353 4.248,1354 3.322,1355 45.726,1356 144,1357 152,1358 0.152,1359 240.422,1360 412.4,1361 578.389,1362 31164,1364 21.589,1365 0.675,1366 0.585,1367 21.589,1368 18.736,1369 15.865,1370 0.441,1371 0.335,1372 11.944,1373 15.478,1374 11.728,1375 9.697,1376 15.865,1377 12.052,1378 13.561,1379 0.283,1380 0.187,1381 13.561,1382 8.955,1383 11.739,1384 0.183,1385 0.108,1386 11.739,1387 6.889,1388 9.947,1389 0.12,1390 0.062,1391 9.947,1392 5.112,1393 8.396,1394 0.078,1395 0.035,1396 8.396,1397 3.774,1398 0.241,1399 97.612,1400 0.198,1401 30.123,1402 0.408,1403 168,1404 358.913,1405 178.879,1406 359.031,1407 512.1,1408 342,1409 196,1410 391.535,1411 208.045,1412 398.954,1413 585.18,1414 379,1415 5}
{0 CHEMBL1834075,1 1.463,2 11.103,3 3.495,4 12.214,5 116.821,6 7.176,7 0.563,8 4.077,9 4.208,10 3.623,11 3.62,12 5.139,13 3.593,14 4.613,15 4.804,16 3.955,17 3.997,18 5.635,19 3.944,20 4.88,21 5.105,22 4.001,23 4.15,24 5.812,25 4.067,26 4.943,27 5.18,28 3.961,29 4.16,30 5.89,31 4.058,32 4.975,33 5.231,34 3.978,35 4.186,36 5.911,37 4.078,38 4.904,39 5.152,40 3.945,41 4.166,42 5.822,43 4.059,44 4.846,45 5.093,46 3.878,47 4.076,48 5.831,49 3.963,50 4.758,51 5.026,52 3.703,53 3.939,54 5.645,55 3.825,56 0.031,57 0.825,58 11.372,59 4.634,60 8.227,61 6.476,62 0.296,63 1.341,64 21.291,65 7.53,66 23.873,67 10.811,68 0.294,69 1.626,70 29.152,71 9.851,72 34.974,73 14.323,74 0.356,75 1.69,76 31.6,77 10.594,78 45.719,79 15.406,80 0.43,81 1.711,82 33.261,83 11.283,84 51.714,85 16.569,86 0.237,87 1.643,88 30.12,89 10.625,90 33.418,91 15.762,92 0.318,93 1.53,94 28.548,95 10.139,96 47.751,97 15.034,98 0.259,99 1.371,100 26.819,101 8.749,102 34.295,103 13.167,104 6,105 43,106 0.241,107 0.527,108 0.642,109 0.716,110 0.757,111 0.757,112 3.408,113 0.929,114 -4.92,115 -4.82,116 -4.52,121 42.6,122 1,127 4,129 1,144 11,145 2,147 1,149 1,152 1,160 1,176 12,179 4,180 4,183 1,185 3,187 13,191 1,197 4,200 10,206 3,209 2,211 4,214 10,218 3,219 5,224 2,227 14,232 8,239 12,243 2,244 13,247 1,251 6,256 8,264 1,269 7,272 1,274 1,277 1,281 1388,282 19.982,283 19.982,284 19.982,285 19.982,286 19.982,287 17.648,288 25.328,289 12.114,290 20.351,291 15.837,292 15.837,293 15.837,294 15.837,295 15.837,296 12.477,297 39.715,298 5.774,299 16.451,300 4.292,301 2.557,302 1.858,303 1.412,304 1.162,305 1.162,306 4.109,311 1,312 1,313 698,314 3.162,318 403.433,325 1.762,326 19.375,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 61.5,338 322,339 4.282,340 3.67,341 6.517,342 4.017,343 3.041,344 3.782,345 1.94,346 10.265,347 2.977,348 4.145,349 3.426,350 6.181,351 3.834,352 2.909,353 3.673,354 1.193,355 9.203,356 2.69,357 3.886,358 3.112,359 5.893,360 3.617,361 2.671,362 3.298,363 0.8,364 8.095,365 2.516,366 3.736,367 2.525,368 5.297,369 3.278,370 2.294,371 3.048,372 0.555,373 6.79,374 2.278,375 3.559,376 2.361,377 5.247,378 3.237,379 2.278,380 2.795,381 0.14,382 6.4,383 2.159,384 3.108,385 2.233,386 4.386,387 2.698,388 1.716,389 2.33,391 4.266,392 1.685,393 2.889,394 1.779,395 4.099,396 2.528,397 1.56,398 1.967,400 3.677,401 1.501,402 2.781,403 1.556,404 3.725,405 2.317,406 1.317,407 1.908,409 2.88,410 1.317,411 2.656,412 1.38,413 3.555,414 2.201,415 1.24,416 1.687,418 2.821,419 1.182,420 2.5,421 1.15,422 3.481,423 2,424 1,425 1.5,427 2.455,428 1,429 2.5,430 1.146,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.302,439 1,440 3.351,441 1.967,442 1,443 1.218,445 2.136,446 0.965,447 2.059,448 1,449 3.247,450 1.953,451 1,452 1,454 2.136,455 0.946,456 2,457 0.855,458 3.247,459 1.696,460 0.735,461 0.944,463 1.946,464 0.704,465 1.037,466 0.374,467 2.703,468 0.687,469 -0.263,470 -0.324,472 -0.674,473 -0.249,474 13.833,475 0.477,476 0.554,477 0.019,478 39.75,479 1.371,480 20.5,481 0.707,482 19.25,483 0.664,484 22.266,485 0.768,486 30.567,487 0.566,488 29.529,489 1.018,490 8.034,491 0.277,492 6.17,493 0.213,494 0.06,496 0.275,501 0.795,502 1.448,503 0.811,504 1.124,505 0.597,506 0.99,507 0.847,508 1.044,509 0.954,510 0.982,511 0.588,512 0.973,513 1.236,514 1.093,515 1.059,516 0.998,517 1.099,518 1.003,519 1.258,520 1.061,521 1.121,522 1.035,523 1.292,524 1.057,525 1.026,526 0.854,527 0.956,528 0.836,529 1.053,530 0.879,531 0.831,532 1.032,533 0.964,534 0.967,535 0.521,536 0.968,537 0.654,538 1.088,539 0.948,540 1.046,541 0.496,542 1.03,543 1.04,544 0.92,545 0.986,546 0.878,547 0.707,548 0.903,549 4.5,550 0.099,551 2.889,552 1.5,553 1.107,554 0.688,555 0.425,556 0.486,557 0.254,558 0.071,559 10924,560 26476,561 2.132,562 46.3,564 20,566 1,567 1,568 3,572 1.722,573 2.047,574 3.428,575 -0.371,577 1,582 79.016,583 1.463,584 3.198,585 3.897,586 4.343,587 4.593,588 4.593,589 2.902,590 3.866,591 4.829,592 3.626,593 1472.35,594 8.424,595 20016.5,597 1,599 1,600 310.764,601 1.178,602 4.812,603 0.141,604 0.005,605 0.067,606 0.034,607 0.027,608 0.016,609 0.01,610 0.013,611 0.008,612 0.003,613 0.323,614 0.17,615 1,616 0.601,617 147.288,618 -0.004,619 -0.262,620 0.066,621 -0.088,622 -0.019,623 -0.018,624 0.172,625 0.103,626 -0.011,627 -0.018,628 0.078,629 -0.036,630 -0.132,631 -0.039,632 -0.085,633 -0.036,634 -0.114,635 -0.052,636 -0.117,637 -0.034,638 -0.135,639 -0.078,640 -0.16,641 -0.106,643 0.138,644 0.037,645 0.129,646 -0.068,647 0.092,648 -0.07,649 -0.015,650 -0.004,651 0.013,652 -0.011,653 0.015,654 0.169,655 -0.086,656 0.019,657 -0.066,658 0.168,659 -0.046,660 -0.112,661 0.078,662 0.007,663 0.073,664 -0.003,665 0.064,666 1.547,667 4.553,668 0.828,669 27.218,670 0.994,671 1.127,672 3.686,673 13.588,674 0.668,675 3.497,676 3.784,677 4.043,678 4.277,679 4.522,680 4.543,681 4.7,682 4.762,683 4.844,684 4.86,685 6.726,686 0.631,687 387.53,688 3.497,689 5.017,690 5.855,691 6.713,692 7.568,693 8.432,694 9.294,695 10.161,696 11.025,697 11.894,698 9.3,703 1,704 1,705 1,708 2,715 12,716 2,720 4,722 18,734 1,736 1,741 54,743 19,744 2,745 32,747 57,748 23,749 16,750 2,751 10,756 4,757 4,763 1,770 1,772 17,773 6,777 1,782 1,786 1,790 1,793 25,794 6,795 1,796 6,802 5,808 1,809 1,823 1,829 4,844 1,859 4,864 1,868 29,876 4,877 1,880 1,881 2,893 1.9,896 1,901 14.167,902 9.8,903 6.444,904 3.237,907 2.407,908 1.326,909 0.988,910 6.064,911 9.796,912 3.761,913 4.284,914 4.777,915 5.277,916 5.794,917 5.839,918 6.252,919 6.615,920 6.966,921 7.218,922 1,923 44,924 10.708,926 4.47,927 0.026,929 7.609,931 20.777,933 16.946,936 2.109,937 61.167,939 1,940 1,941 282.506,942 145.837,943 57.83,945 25.145,948 145.837,949 307.651,950 57.83,951 8.825,952 11.547,953 104.239,954 93.202,955 18.543,956 4.227,957 270.735,959 282.506,960 203.667,961 25.145,964 282.506,965 25.145,968 31.319,969 120.767,970 51.582,972 282.506,973 82.975,974 145.837,977 282.506,978 23.726,979 128.36,980 18.011,981 58.716,982 282.506,983 82.975,984 145.837,986 0.571,987 0.33,988 0.179,989 0.101,990 20,991 8,992 0.088,993 5,995 1,996 4.098,997 253.904,999 24,1000 116.881,1005 19.409,1006 9.06,1007 4.746,1009 82.975,1010 24.399,1011 9.214,1015 3.822,1017 18.011,1018 511.319,1019 42,1024 11.553,1028 0.12,1031 53.672,1032 60.853,1034 0.254,1035 0.556,1036 0.677,1037 0.755,1038 0.798,1039 0.798,1040 4.973,1041 1.317,1042 5.808,1043 3.677,1044 4.466,1045 4.97,1046 2.396,1047 6.575,1048 4.39,1049 6.133,1050 1.24,1051 7.335,1052 2.88,1053 3.892,1054 4.443,1055 1.916,1056 7.394,1057 3.758,1058 7.398,1059 1,1060 8.966,1061 2.821,1062 6.009,1063 7.008,1064 3.106,1065 10.487,1066 5.843,1067 8.694,1068 1,1069 10.66,1070 2.455,1071 6.293,1072 7.27,1073 3.233,1074 12.169,1075 6.066,1076 10.022,1077 1,1078 12.396,1079 2.275,1080 7.836,1081 9.304,1082 4.184,1083 14.744,1084 7.58,1085 11.371,1086 1,1087 14.16,1088 2.136,1089 8.525,1090 9.957,1091 4.576,1092 16.773,1093 8.215,1094 12.736,1095 0.735,1096 15.944,1097 2.136,1098 9.813,1099 11.725,1100 5.402,1101 19.169,1102 9.475,1103 3.041,1104 -0.263,1105 17.741,1106 1.946,1107 10.704,1108 12.606,1109 5.925,1110 21.35,1111 10.32,1112 2.909,1113 10.265,1114 19.549,1115 -0.674,1116 11.876,1117 14.215,1118 6.677,1119 23.683,1120 11.465,1121 2.671,1122 9.203,1123 21.365,1124 3.782,1125 12.867,1126 15.242,1127 7.268,1128 25.932,1129 12.418,1130 2.294,1131 8.095,1132 23.187,1133 3.673,1134 13.989,1135 16.75,1136 7.979,1137 28.245,1138 13.514,1139 2.278,1140 6.79,1141 25.014,1142 3.298,1143 15.03,1144 17.873,1145 8.604,1146 30.526,1147 14.523,1148 1.716,1149 6.4,1150 26.846,1151 3.048,1152 16.132,1153 19.315,1154 9.293,1155 32.835,1156 15.6,1157 1.56,1158 4.266,1159 28.682,1160 2.795,1161 17.198,1162 20.503,1163 9.936,1164 35.132,1165 16.639,1166 10374,1167 16262,1168 21.959,1169 36.097,1170 48.055,1171 47.969,1172 48.063,1173 47.563,1174 47.522,1175 61.298,1176 9.258,1177 130.69,1178 45.842,1179 5.282,1180 5.67,1181 6.318,1182 5.091,1183 5.041,1184 6.782,1185 3.348,1186 16.999,1187 4.977,1188 10.467,1189 1.502,1190 1.499,1191 1.502,1192 1.486,1193 1.485,1194 1.916,1195 0.289,1196 4.084,1197 1.433,1198 4.017,1199 4.059,1200 3.957,1201 3.941,1202 7.428,1203 3.938,1204 3.893,1205 3.949,1206 3.828,1207 3.753,1208 5.003,1209 3.743,1210 3.808,1211 3.841,1212 3.729,1213 3.706,1214 4.796,1215 3.731,1216 3.732,1217 3.79,1218 3.658,1219 3.544,1220 4.688,1221 3.563,1222 3.412,1223 3.471,1224 3.294,1225 3.194,1226 4.287,1227 3.206,1228 3.233,1229 3.302,1230 3.121,1231 3.09,1232 4.131,1233 3.088,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.85,1239 2.91,1240 2.896,1241 2.993,1242 2.753,1243 2.735,1244 3.759,1245 2.715,1246 0.134,1247 0.115,1248 0.204,1249 0.126,1250 0.095,1251 4.282,1252 0.118,1253 3.67,1254 0.061,1255 6.517,1256 0.321,1257 4.017,1258 0.093,1259 3.041,1260 3.782,1261 1.94,1262 10.265,1263 2.977,1264 1.979,1265 1.951,1266 2.088,1267 2.08,1268 1.277,1269 2.079,1270 1.824,1271 1.794,1272 1.981,1273 2.028,1274 1.241,1275 2.022,1276 1.817,1277 1.755,1278 1.961,1279 1.905,1280 1.01,1281 1.926,1282 1.667,1283 1.611,1284 1.798,1285 1.87,1286 0.825,1287 1.854,1288 1.365,1289 1.303,1290 1.658,1291 1.614,1292 0.803,1293 1.626,1294 1.212,1295 1.155,1296 1.513,1297 1.408,1298 0.708,1299 1.429,1300 1.153,1301 1.064,1302 1.415,1303 1.376,1304 0.571,1305 1.414,1306 0.886,1307 0.821,1308 1.181,1309 1.14,1310 0.345,1311 1.151,1312 4.174,1314 5.468,1316 6.967,1318 8.55,1320 10.173,1322 1.615,1328 2.883,1329 3.576,1332 -0.005,1333 3.99,1340 34.09,1341 79.016,1342 172.671,1343 210.446,1344 234.499,1345 248.009,1346 248.009,1347 41.774,1348 7.39,1349 61.36,1350 61.36,1351 24,1352 12.439,1353 4.322,1354 3.459,1355 44.588,1356 116,1357 122,1358 0.185,1359 210.514,1360 361.71,1361 505.415,1362 15506,1364 20.054,1365 0.692,1366 0.57,1367 20.054,1368 16.531,1369 14.204,1370 0.444,1371 0.31,1372 9.784,1373 13.737,1374 9.553,1375 7.917,1376 14.204,1377 9.905,1378 12.407,1379 0.289,1380 0.166,1381 12.407,1382 7.134,1383 10.365,1384 0.185,1385 0.093,1386 10.365,1387 5.209,1388 8.537,1389 0.12,1390 0.051,1391 8.537,1392 3.6,1393 7.063,1394 0.078,1395 0.027,1396 7.063,1397 2.475,1398 0.29,1399 88.219,1400 0.213,1401 27.514,1402 0.509,1403 150,1404 394.649,1405 163.094,1406 388.14,1407 538.22,1408 366,1409 174,1410 400.524,1411 187.374,1412 406.313,1413 591.19,1414 384,1415 4.538}
{0 CHEMBL1834076,1 1.478,2 12.758,3 5.069,4 25.699,5 132.248,6 6.963,7 0.5,8 4.238,9 4.368,10 3.752,11 3.75,12 5.283,13 3.722,14 4.792,15 4.985,16 4.121,17 4.133,18 5.831,19 4.083,20 5.068,21 5.281,22 4.139,23 4.298,24 5.993,25 4.213,26 5.184,27 5.445,28 4.147,29 4.283,30 6.137,31 4.191,32 5.093,33 5.316,34 4.151,35 4.301,36 6.142,37 4.229,38 5.078,39 5.294,40 4.122,41 4.395,42 5.988,43 4.275,44 5.246,45 5.535,46 4.028,47 4.339,48 6.1,49 4.175,50 5.06,51 5.373,52 3.853,53 4.102,54 5.834,55 3.968,56 0.034,57 0.951,58 14.156,59 5.689,60 11.215,61 7.991,62 0.481,63 1.525,64 26.736,65 9.275,66 39.764,67 13.383,68 0.384,69 1.868,70 36.072,71 12.096,72 40.892,73 17.436,74 0.512,75 1.968,76 42.18,77 12.953,78 65.107,79 19.347,80 0.756,81 1.883,82 38.253,83 11.367,84 82.269,85 16.437,86 0.189,87 1.983,88 35.071,89 13.467,90 33.748,91 19.736,92 0.536,93 2.073,94 44.554,95 15.364,96 68.371,97 23.482,98 0.391,99 1.69,100 37.886,101 11.534,102 45.152,103 18.181,104 20,105 50,106 0.236,107 0.521,108 0.636,109 0.696,110 0.73,111 0.73,112 3.532,113 0.943,114 -5.19,115 -5.08,116 -4.75,121 40.6,122 3,127 4,129 1,132 1,144 11,145 2,147 1,149 1,152 1,161 1,176 12,179 6,180 5,183 1,185 3,187 16,191 1,197 4,200 10,206 9,209 2,211 4,214 10,218 4,219 4,224 2,227 14,232 8,239 12,243 4,244 14,247 1,251 6,256 8,264 1,269 14,272 2,281 1965,282 22.085,283 22.085,284 22.085,285 22.085,286 22.085,287 19.802,288 29.484,289 13.214,290 22.608,291 17.835,292 17.835,293 17.835,294 17.835,295 17.835,296 14.504,297 47.03,298 6.334,299 18.696,300 4.522,301 2.733,302 2.013,303 1.637,304 1.426,305 1.426,306 4.226,312 1,313 900,314 4.123,318 479.553,325 2.158,326 24.927,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 70.5,338 421,339 4.282,340 3.849,341 6.517,342 4.089,343 3.154,344 3.782,345 2.208,346 10.265,347 2.977,348 4.202,349 3.426,350 6.484,351 4.017,352 3.04,353 3.673,354 1.193,355 10.252,356 2.937,357 4.134,358 3.245,359 6.179,360 3.817,361 2.896,362 3.298,363 0.8,364 9.202,365 2.66,366 3.799,367 3.102,368 5.91,369 3.571,370 2.635,371 3.279,372 0.655,373 8.25,374 2.453,375 3.736,376 2.525,377 5.298,378 3.278,379 2.291,380 2.896,381 0.14,382 6.798,383 2.278,384 3.553,385 2.361,386 5.247,387 3.232,388 2.278,389 2.772,390 0.13,391 6.4,392 2.147,393 3.108,394 2.235,395 4.423,396 2.696,397 1.717,398 2.33,400 4.365,401 1.683,402 2.89,403 1.779,404 4.121,405 2.522,406 1.568,407 1.967,409 3.714,410 1.481,411 2.781,412 1.556,413 4,414 2.317,415 1.317,416 1.908,418 3.184,419 1.317,420 2.659,421 1.38,422 3.555,423 2.2,424 1.257,425 1.691,427 2.88,428 1.177,429 2.5,430 1.15,431 3.488,432 2,433 1.02,434 1.5,436 2.517,437 1,438 2.5,439 1.146,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.31,448 1,449 3.352,450 1.967,451 1,452 1.237,454 2.136,455 0.965,456 2.059,457 1,458 3.247,459 1.956,460 1,461 1,463 2.136,464 0.947,465 2,466 0.855,467 3.247,468 1.696,469 0.735,470 0.944,472 1.946,473 0.704,474 15.667,475 0.475,476 0.87,477 0.026,478 42.25,479 1.28,480 20.5,481 0.621,482 21.75,483 0.659,484 30.129,485 0.913,486 35.933,487 0.561,488 33.262,489 1.008,490 8.298,491 0.251,492 7.59,493 0.23,494 0.117,495 0.032,496 0.243,501 0.821,502 1.497,503 0.843,504 1.207,505 0.677,506 1.052,507 0.745,508 1.007,509 0.881,510 0.962,511 0.493,512 0.934,513 1.398,514 1.206,515 1.155,516 1.12,517 0.977,518 1.112,519 1.319,520 0.97,521 0.938,522 0.866,523 1.428,524 0.853,525 1.859,526 0.752,527 1.212,528 0.709,529 2.404,530 0.855,531 0.638,532 1.303,533 1.121,534 1.284,535 0.53,536 1.261,537 0.427,538 1.011,539 0.856,540 0.999,541 0.384,542 0.983,543 0.821,544 0.768,545 0.755,546 0.678,547 0.526,548 0.685,549 7,550 0.194,551 3.333,552 2,553 1.427,554 0.938,555 0.528,556 0.601,557 0.353,558 0.141,559 15816,560 37052,561 2.072,562 48.4,564 20,566 1,567 1,569 9,572 1.752,573 1.951,574 3.601,575 -0.382,582 94.599,583 1.478,584 3.267,585 3.987,586 4.363,587 4.574,588 4.574,589 3.037,590 4.173,591 5.015,592 3.85,593 2032.67,594 8.783,595 31090.6,597 1,600 384,601 1.455,602 4.975,603 0.194,604 0.007,605 0.067,606 0.041,607 0.029,608 0.018,609 0.011,610 0.014,611 0.01,612 0.004,613 0.395,614 0.17,615 1,616 0.98,617 176.488,618 -0.001,619 -0.271,620 0.068,621 -0.11,622 -0.055,623 -0.028,624 0.345,625 0.141,626 0.094,627 0.036,628 0.236,629 0.033,630 -0.166,631 -0.148,632 -0.162,633 -0.132,634 -0.147,635 -0.148,636 -0.065,637 0.012,638 0.086,639 0.071,640 -0.045,641 0.093,642 -0.26,643 0.317,644 -0.171,645 0.225,646 -0.356,647 0.062,648 -0.062,649 -0.217,650 -0.203,651 -0.241,652 -0.047,653 -0.241,654 0.244,655 -0.072,656 0.112,657 -0.025,658 0.209,659 0.016,660 0.002,661 0.165,662 0.249,663 0.243,664 0.11,665 0.281,666 1.938,667 5.346,668 0.727,669 37.074,670 0.995,671 1.13,672 3.956,673 15.652,674 0.654,675 3.611,676 3.932,677 4.127,678 4.382,679 4.605,680 4.625,681 4.787,682 4.905,683 5.004,684 4.99,685 7.793,686 0.615,687 445.62,688 3.611,689 5.153,690 5.979,691 6.853,692 7.696,693 8.573,694 9.424,695 10.301,696 11.156,697 12.033,698 7.8,703 1,704 1,705 1,708 2,715 12,716 2,720 4,722 18,734 1,736 1,741 64,743 19,744 2,745 36,747 67,748 26,749 16,750 2,751 10,756 4,757 4,763 3,770 1,772 17,773 9,774 1,777 1,782 1,786 1,793 31,794 7,795 1,796 7,802 5,808 1,809 2,823 1,829 4,856 1,859 4,864 3,868 33,876 4,877 1,878 1,880 1,881 2,882 1,893 3.1,896 1,898 1,901 16.917,902 12.217,903 7.153,904 3.821,907 2.376,908 1.31,909 0.955,910 7.265,911 10.053,912 3.85,913 4.376,914 4.826,915 5.332,916 5.818,917 5.862,918 6.271,919 6.642,920 6.996,921 7.25,922 1,923 49,924 12.218,926 5.098,927 0.026,929 7.619,931 23.62,933 19.188,936 2.119,937 69.917,941 353.133,942 165.545,943 57.83,945 36.145,948 165.545,949 389.278,950 57.83,951 26.476,952 11.547,953 104.239,954 88.498,955 29.543,956 10.99,957 341.362,959 353.133,960 223.376,961 36.145,964 247.193,965 142.085,968 48.969,969 122.825,970 51.582,972 353.133,973 93.975,974 165.545,977 353.133,978 25.783,979 146.01,980 18.011,981 69.716,982 353.133,983 93.975,984 165.545,986 0.58,987 0.314,988 0.173,989 0.096,990 23,991 10,992 0.104,993 7,995 1,996 4.386,997 299.81,999 24,1000 134.955,1005 23.218,1006 10.326,1007 6.309,1009 93.975,1010 24.334,1011 9.271,1015 3.737,1017 18.011,1018 612.654,1019 46,1024 12.346,1028 -0.271,1031 63.65,1032 72.308,1034 0.246,1035 0.545,1036 0.664,1037 0.727,1038 0.762,1039 0.762,1040 5.091,1041 1.568,1042 5.979,1043 4.365,1044 4.615,1045 5.063,1046 2.6,1047 6.779,1048 4.52,1049 6.274,1050 1.317,1051 7.531,1052 3.714,1053 4.29,1054 4.691,1055 2.058,1056 7.818,1057 4.127,1058 7.562,1059 1.257,1060 9.19,1061 3.184,1062 6.24,1063 7.103,1064 3.609,1065 10.797,1066 6.035,1067 8.877,1068 1.02,1069 10.913,1070 2.88,1071 6.711,1072 7.454,1073 3.717,1074 12.611,1075 6.43,1076 10.222,1077 1,1078 12.674,1079 2.517,1080 8.161,1081 9.396,1082 4.979,1083 15.148,1084 7.843,1085 11.585,1086 1,1087 14.462,1088 2.275,1089 8.98,1090 10.097,1091 5.387,1092 17.252,1093 8.589,1094 12.964,1095 1,1096 16.266,1097 2.136,1098 10.23,1099 11.809,1100 6.465,1101 19.642,1102 9.801,1103 3.154,1104 0.735,1105 18.083,1106 2.136,1107 11.209,1108 12.715,1109 7.032,1110 21.865,1111 10.714,1112 3.04,1113 10.265,1114 19.908,1115 1.946,1116 12.377,1117 14.289,1118 7.996,1119 24.204,1120 11.84,1121 2.896,1122 10.252,1123 21.74,1124 3.782,1125 13.431,1126 15.327,1127 8.656,1128 26.478,1129 12.834,1130 2.635,1131 9.202,1132 23.576,1133 3.673,1134 14.567,1135 16.813,1136 9.55,1137 28.801,1138 13.926,1139 2.291,1140 8.25,1141 25.417,1142 3.298,1143 15.657,1144 17.94,1145 10.263,1146 31.098,1147 14.96,1148 2.278,1149 6.798,1150 27.261,1151 3.279,1152 16.782,1153 19.368,1154 11.116,1155 33.416,1156 16.039,1157 1.717,1158 6.4,1159 29.108,1160 2.896,1161 17.889,1162 20.556,1163 11.862,1164 35.725,1165 17.093,1166 15185,1167 23388,1168 24.038,1169 41.836,1170 54.696,1171 54.997,1172 53.952,1173 53.884,1174 53.821,1175 67.553,1176 10.252,1177 152.637,1178 51.454,1179 5.282,1180 5.849,1181 6.318,1182 5.17,1183 5.154,1184 6.782,1185 3.912,1186 17,1187 4.977,1188 15.981,1189 1.519,1190 1.528,1191 1.499,1192 1.497,1193 1.495,1194 1.876,1195 0.285,1196 4.24,1197 1.429,1198 4.019,1199 4.061,1200 3.959,1201 3.942,1202 7.433,1203 3.939,1204 3.895,1205 3.948,1206 3.83,1207 3.753,1208 5.003,1209 3.743,1210 3.808,1211 3.841,1212 3.729,1213 3.706,1214 4.796,1215 3.731,1216 3.762,1217 3.808,1218 3.689,1219 3.575,1220 4.688,1221 3.589,1222 3.658,1223 3.723,1224 3.522,1225 3.494,1226 4.565,1227 3.493,1228 3.265,1229 3.327,1230 3.181,1231 3.097,1232 4.265,1233 3.1,1234 3.181,1235 3.22,1236 3.086,1237 2.941,1238 4.129,1239 2.955,1240 3.111,1241 3.206,1242 2.866,1243 2.898,1244 3.838,1245 2.91,1246 0.119,1247 0.107,1248 0.181,1249 0.114,1250 0.088,1251 4.282,1252 0.105,1253 3.849,1254 0.061,1255 6.517,1256 0.285,1257 4.089,1258 0.083,1259 3.154,1260 3.782,1261 2.208,1262 10.265,1263 2.977,1264 1.979,1265 1.951,1266 2.088,1267 2.08,1268 1.273,1269 2.079,1270 1.824,1271 1.794,1272 1.978,1273 2.027,1274 1.241,1275 2.019,1276 1.814,1277 1.754,1278 1.961,1279 1.905,1280 1.117,1281 1.926,1282 1.701,1283 1.653,1284 1.937,1285 1.905,1286 1.01,1287 1.909,1288 1.636,1289 1.573,1290 1.788,1291 1.831,1292 0.825,1293 1.832,1294 1.218,1295 1.162,1296 1.513,1297 1.435,1298 0.799,1299 1.429,1300 1.153,1301 1.064,1302 1.417,1303 1.376,1304 0.573,1305 1.424,1306 1.04,1307 1.006,1308 1.417,1309 1.353,1310 0.469,1311 1.314,1312 4.29,1314 5.609,1316 7.116,1318 8.698,1320 10.32,1322 5.642,1328 2.464,1329 3.582,1330 5.492,1332 -0.029,1333 3.844,1334 -0.495,1340 39.385,1341 94.599,1342 209.113,1343 255.152,1344 279.206,1345 292.716,1346 292.716,1347 57.055,1348 7.676,1349 70.59,1350 70.59,1351 24,1352 12.576,1353 4.322,1354 3.459,1355 54.405,1356 155,1357 146,1358 0.17,1359 243.288,1360 422.4,1361 585.382,1362 22947,1364 23.261,1365 0.705,1366 0.589,1367 23.261,1368 19.439,1369 15.888,1370 0.441,1371 0.314,1372 11.165,1373 15.307,1374 10.791,1375 9.009,1376 15.888,1377 11.313,1378 14.905,1379 0.298,1380 0.182,1381 14.905,1382 9.095,1383 11.162,1384 0.183,1385 0.089,1386 11.162,1387 5.415,1388 9.572,1389 0.121,1390 0.048,1391 9.572,1392 3.795,1393 7.625,1394 0.077,1395 0.027,1396 7.625,1397 2.655,1398 0.271,1399 99.087,1400 0.204,1401 30.883,1402 0.455,1403 172,1404 460.384,1405 190.297,1406 447.242,1407 617.84,1408 420,1409 197,1410 463.796,1411 214.527,1412 469.578,1413 682.67,1414 440,1415 4}
{0 CHEMBL1834077,1 1.372,2 9.577,3 3.699,4 13.686,5 107.255,6 7.051,7 0.621,8 3.984,9 4.122,10 3.52,11 3.536,12 5.012,13 3.505,14 4.512,15 4.704,16 3.83,17 3.917,18 5.487,19 3.853,20 4.784,21 5.029,22 3.855,23 4.045,24 5.63,25 3.942,26 4.795,27 5.054,28 3.811,29 4.013,30 5.657,31 3.906,32 4.761,33 5.004,34 3.879,35 4.061,36 5.691,37 3.966,38 4.775,39 5.004,40 3.847,41 4.091,42 5.712,43 3.982,44 4.778,45 5.037,46 3.709,47 4.002,48 5.642,49 3.866,50 4.655,51 4.936,52 3.504,53 3.824,54 5.437,55 3.681,56 0.05,57 0.761,58 10.645,59 4.147,60 8.605,61 5.936,62 0.246,63 1.234,64 19.37,65 6.855,66 20.849,67 9.95,68 0.231,69 1.486,70 26.708,71 9.209,72 24.88,73 13.774,74 0.299,75 1.484,76 27.503,77 9.008,78 29.93,79 13.607,80 0.272,81 1.463,82 26.083,83 9.061,84 32.166,85 13.432,86 0.199,87 1.483,88 25.979,89 9.413,90 30.501,91 13.862,92 0.211,93 1.418,94 26.794,95 9.803,96 32.049,97 14.518,98 0.209,99 1.22,100 24.277,101 8.319,102 26.174,103 12.551,105 38,106 0.231,107 0.521,108 0.632,109 0.728,110 0.747,111 0.747,112 3.305,113 0.936,114 -4.92,115 -4.83,116 -4.53,121 42.9,127 4,129 1,144 11,145 2,147 1,149 1,152 1,176 12,179 3,180 2,183 1,185 3,187 13,195 1,197 4,200 10,206 3,209 2,211 4,214 10,219 4,222 2,224 2,227 14,232 8,239 12,244 10,248 1,249 1,251 6,256 8,264 1,269 4,274 2,281 1020,282 18.328,283 18.328,284 18.328,285 18.328,286 18.328,287 16.176,288 24.187,289 11.392,290 18.691,291 14.403,292 14.403,293 14.403,294 14.403,295 14.403,296 11.328,297 39.498,298 5.479,299 15.005,300 4.243,301 2.523,302 1.869,303 1.296,304 1.184,305 1.184,306 4.01,310 1,311 1,312 1,313 547,314 2.55,318 349.361,325 1.411,326 12.664,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 54.5,338 249,339 4.281,340 3.426,341 6.517,342 4.017,343 3.04,344 3.782,345 1.193,346 10.265,347 2.977,348 4.138,349 3.118,350 6.165,351 3.786,352 2.869,353 3.673,354 0.8,355 9.161,356 2.623,357 3.736,358 2.512,359 5.303,360 3.284,361 2.343,362 3.298,363 0.4,364 6.82,365 2.278,366 3.592,367 2.361,368 5.247,369 3.278,370 2.278,371 2.822,372 0.14,373 6.4,374 2.2,375 3.115,376 1.996,377 4.413,378 2.744,379 1.799,380 2.333,382 4.423,383 1.708,384 2.937,385 1.755,386 4.101,387 2.622,388 1.649,389 2.023,391 3.702,392 1.591,393 2.781,394 1.462,395 3.555,396 2.317,397 1.317,398 1.908,400 2.88,401 1.317,402 2.661,403 1.38,404 3.549,405 2.216,406 1.289,407 1.718,409 2.828,410 1.193,411 2.5,412 1.146,413 3.429,414 2,415 1,416 1.5,418 2.39,419 1,420 2.5,421 1.118,422 3.35,423 2,424 1,425 1.5,427 2.136,428 1,429 2.195,430 1,431 3.247,432 1.967,433 1,434 1.164,436 2.136,437 0.965,438 2.058,439 1,440 3.247,441 1.923,442 1,443 1,445 2.136,446 0.921,447 2,448 0.854,449 3.247,450 1.696,451 0.735,452 0.943,454 1.945,455 0.704,456 1.033,457 -0.047,458 2.698,459 0.682,460 -0.266,461 -0.328,463 -0.691,464 -0.252,465 0.739,466 -0.374,467 2.403,468 0.42,469 -0.52,470 -0.583,472 -1.259,473 -0.487,474 12.5,475 0.481,476 0.359,477 0.014,478 36.25,479 1.394,480 19,481 0.731,482 17.25,483 0.663,484 18.406,485 0.708,486 27.1,487 0.553,488 25.173,489 0.968,490 7.292,491 0.28,492 5.607,493 0.216,496 0.232,501 1.034,502 1.371,503 0.844,504 1.063,505 0.897,506 0.956,507 1.122,508 1.051,509 1.047,510 1.025,511 0.939,512 1.028,513 1.118,514 1.099,515 0.988,516 1.006,517 0.984,518 0.987,519 1.252,520 0.952,521 1.008,522 0.902,523 1.231,524 0.925,525 1.134,526 0.881,527 0.952,528 0.857,529 1.13,530 0.88,531 1.16,532 1.087,533 1.099,534 1.073,535 1.229,536 1.079,537 0.886,538 1.058,539 1.005,540 1.071,541 0.966,542 1.054,543 1.101,544 0.913,545 0.976,546 0.903,547 1,548 0.922,549 3,550 0.033,551 2,552 1.188,553 0.836,554 0.451,555 0.264,556 0.377,557 0.16,558 0.017,559 8073,560 17622,561 2.196,562 46.9,564 20,566 1,567 2,572 1.696,573 2.167,574 3.251,575 0.213,577 1,582 67.231,583 1.372,584 3.092,585 3.746,586 4.319,587 4.431,588 4.431,589 2.651,590 3.7,591 4.674,592 3.395,593 1103.44,594 8.126,595 13757.1,597 1,599 1,600 275.121,601 0.779,602 4.676,603 0.103,604 0.002,605 0.053,606 0.031,607 0.023,608 0.011,609 0.007,610 0.012,611 0.006,612 0.001,613 0.25,614 0.33,615 1,617 126.119,618 -0.02,619 -0.192,620 0.064,621 -0.044,622 0.004,623 0.008,624 0.126,625 0.091,626 -0.091,627 -0.063,628 0.042,629 -0.094,630 -0.026,631 -0.079,632 -0.008,633 -0.04,634 -0.021,635 -0.025,636 -0.041,637 0.069,638 -0.01,639 0.041,640 -0.077,641 0.023,642 -0.025,643 0.154,644 0.027,645 0.111,646 0.016,647 0.081,648 -0.167,649 -0.053,650 -0.141,651 -0.086,652 -0.149,653 -0.106,654 0.019,655 -0.094,656 -0.032,657 -0.081,658 0.034,659 -0.065,660 -0.095,661 0.035,662 0.021,663 0.065,664 -0.024,665 0.057,666 1.289,667 1.763,668 0.923,669 20.959,670 0.989,671 1.127,672 3.693,673 13.635,674 0.671,675 3.401,676 3.664,677 3.932,678 4.19,679 4.431,680 4.382,681 4.543,682 4.635,683 4.691,684 4.673,685 5.906,686 0.63,687 345.49,688 3.401,689 4.905,690 5.74,691 6.592,692 7.444,693 8.304,694 9.163,695 10.027,696 10.889,697 11.755,698 10.2,700 1,703 1,704 1,708 2,715 12,716 2,720 4,722 18,734 1,736 1,741 49,743 18,744 2,745 29,747 52,748 21,749 16,750 2,751 10,756 4,757 4,770 1,772 16,773 5,790 1,793 23,794 5,795 2,796 5,802 5,808 1,823 1,829 4,853 1,859 4,868 26,876 4,877 2,880 1,881 1,901 12,902 8.433,903 5.833,904 2.946,907 2.34,908 1.329,909 1.008,910 5.315,911 9.451,912 3.664,913 4.182,914 4.707,915 5.236,916 5.763,917 5.779,918 6.187,919 6.553,920 6.888,921 7.123,922 1,923 38,924 9.589,926 3.989,927 0.026,929 7.462,931 18.842,933 15.436,936 1.962,937 51,939 1,940 1,941 247.193,942 132.307,943 72.717,948 132.307,949 247.193,950 72.717,952 8.423,953 122.249,954 63.353,955 18.543,956 4.227,957 235.422,959 247.193,960 205.024,964 247.193,968 37.38,969 116.062,970 51.582,972 247.193,973 72.717,974 132.307,977 247.193,978 19.021,979 116.41,980 36.022,981 33.571,982 247.193,983 72.717,984 132.307,986 0.559,987 0.326,988 0.188,989 0.107,990 18,991 6,992 0.096,993 5,995 1,996 3.89,997 219.903,999 24,1000 98.211,1005 16.861,1006 8.196,1007 4.165,1009 72.717,1010 24.691,1011 9.226,1015 4.046,1017 36.022,1018 452.217,1019 38,1031 48.461,1032 55.228,1034 0.244,1035 0.551,1036 0.667,1037 0.769,1038 0.789,1039 0.789,1040 4.856,1041 1.289,1042 5.666,1043 2.88,1044 4.344,1045 4.868,1046 1.529,1047 6.415,1048 4.263,1049 5.998,1050 1,1051 7.171,1052 2.828,1053 3.611,1054 4.205,1055 0.914,1056 7.182,1057 3.466,1058 7.251,1059 1,1060 8.783,1061 2.39,1062 5.855,1063 6.915,1064 1.37,1065 10.319,1066 5.688,1067 8.538,1068 1,1069 10.466,1070 2.136,1071 6.043,1072 7.103,1073 1.243,1074 12.005,1075 5.811,1076 9.86,1077 1,1078 12.196,1079 2.136,1080 7.661,1081 9.227,1082 1.469,1083 14.604,1084 7.409,1085 11.208,1086 0.735,1087 13.96,1088 2.136,1089 8.302,1090 9.846,1091 1.512,1092 16.651,1093 7.996,1094 12.574,1095 -0.266,1096 15.746,1097 1.945,1098 9.631,1099 11.664,1100 1.68,1101 19.063,1102 9.303,1103 3.04,1104 -0.52,1105 17.548,1106 -0.691,1107 10.503,1108 12.531,1109 1.791,1110 21.26,1111 10.131,1112 2.869,1113 10.265,1114 19.362,1115 -1.259,1116 11.698,1117 14.169,1118 1.947,1119 23.606,1120 11.304,1121 2.343,1122 9.161,1123 21.186,1124 3.782,1125 12.684,1126 15.192,1127 2.087,1128 25.867,1129 12.256,1130 2.278,1131 6.82,1132 23.016,1133 3.673,1134 13.82,1135 16.716,1136 2.245,1137 28.19,1138 13.369,1139 1.799,1140 6.4,1141 24.852,1142 3.298,1143 14.863,1144 17.839,1145 2.399,1146 30.479,1147 14.384,1148 1.649,1149 4.423,1150 26.692,1151 2.822,1152 15.974,1153 19.29,1154 2.561,1155 32.795,1156 15.474,1157 1.317,1158 3.702,1159 28.536,1160 2.333,1161 17.044,1162 20.48,1163 2.723,1164 35.098,1165 16.522,1166 7553,1167 11270,1168 20.455,1169 32.881,1170 42.914,1171 42.527,1172 42.754,1173 42.685,1174 42.639,1175 55.327,1176 5.066,1177 114.442,1178 40.957,1179 5.281,1180 5.426,1181 6.318,1182 5.09,1183 5.04,1184 6.782,1185 1.873,1186 16.999,1187 4.977,1189 1.48,1190 1.466,1191 1.474,1192 1.472,1193 1.47,1194 1.908,1195 0.175,1196 3.946,1197 1.412,1198 4.015,1199 4.055,1200 3.955,1201 3.941,1202 5.004,1203 3.938,1204 3.878,1205 3.938,1206 3.816,1207 3.753,1208 4.796,1209 3.743,1210 3.808,1211 3.841,1212 3.729,1213 3.693,1214 4.688,1215 3.718,1216 3.683,1217 3.755,1218 3.571,1219 3.498,1220 4.374,1221 3.506,1222 3.242,1223 3.313,1224 3.138,1225 3.095,1226 4.138,1227 3.095,1228 3.111,1229 3.206,1230 2.866,1231 2.941,1232 3.853,1233 2.91,1234 2.976,1235 3.076,1236 2.851,1237 2.735,1238 3.725,1239 2.742,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.148,1247 0.118,1248 0.225,1249 0.139,1250 0.105,1251 4.281,1252 0.13,1253 3.426,1254 0.041,1255 6.517,1256 0.354,1257 4.017,1258 0.103,1259 3.04,1260 3.782,1261 1.193,1262 10.265,1263 2.977,1264 1.979,1265 1.951,1266 2.088,1267 2.078,1268 1.252,1269 2.078,1270 1.824,1271 1.794,1272 1.975,1273 2.017,1274 1.239,1275 2.012,1276 1.805,1277 1.741,1278 1.961,1279 1.905,1280 1.01,1281 1.926,1282 1.639,1283 1.573,1284 1.79,1285 1.845,1286 0.825,1287 1.837,1288 1.216,1289 1.159,1290 1.513,1291 1.417,1292 0.797,1293 1.429,1294 1.153,1295 1.064,1296 1.416,1297 1.376,1298 0.572,1299 1.42,1300 0.904,1301 0.821,1302 1.193,1303 1.216,1304 0.36,1305 1.218,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 4.078,1314 5.352,1316 6.841,1318 8.417,1320 10.036,1328 3.809,1329 6.959,1332 0.045,1333 2.224,1340 30.848,1341 67.231,1342 151.518,1343 183.557,1344 211.611,1345 217.121,1346 217.121,1347 29.794,1348 7.112,1349 53.08,1350 53.08,1351 24,1352 12.302,1353 4.248,1354 3.322,1355 37.784,1356 91,1357 92,1358 0.199,1359 190.261,1360 320.96,1361 455.997,1362 10759,1364 17.606,1365 0.677,1366 0.564,1367 17.606,1368 14.676,1369 12.899,1370 0.445,1371 0.312,1372 8.95,1373 12.535,1374 8.791,1375 7.291,1376 12.899,1377 9.052,1378 10.887,1379 0.286,1380 0.168,1381 10.887,1382 6.378,1383 9.256,1384 0.185,1385 0.092,1386 9.256,1387 4.601,1388 7.86,1389 0.121,1390 0.05,1391 7.86,1392 3.244,1393 6.635,1394 0.08,1395 0.027,1396 6.635,1397 2.267,1398 0.307,1399 79.739,1400 0.221,1401 24.917,1402 0.563,1403 134,1404 319.601,1405 143.852,1406 319.973,1407 452.92,1408 304,1409 155,1410 343.197,1411 165.547,1412 350.319,1413 511.49,1414 332,1415 4.504}
{0 CHEMBL1834078,1 1.45,2 11.759,3 3.696,4 13.66,5 118.842,6 6.956,7 0.563,8 4.113,9 4.247,10 3.628,11 3.635,12 5.151,13 3.605,14 4.653,15 4.848,16 3.937,17 4.018,18 5.624,19 3.957,20 4.928,21 5.169,22 3.985,23 4.177,24 5.785,25 4.074,26 4.991,27 5.25,28 3.959,29 4.187,30 5.832,31 4.069,32 5.021,33 5.283,34 4.002,35 4.212,36 5.924,37 4.104,38 4.961,39 5.206,40 3.963,41 4.194,42 5.898,43 4.083,44 4.894,45 5.156,46 3.85,47 4.098,48 5.773,49 3.975,50 4.783,51 5.049,52 3.719,53 3.96,54 5.682,55 3.837,56 0.055,57 0.852,58 12.519,59 4.863,60 10.402,61 6.918,62 0.297,63 1.38,64 22.988,65 7.822,66 25.433,67 11.423,68 0.341,69 1.678,70 31.256,71 10.522,72 32.248,73 15.859,74 0.326,75 1.745,76 33.62,77 11.233,78 33.258,79 17.043,80 0.405,81 1.753,82 35.135,83 11.611,84 46.346,85 17.329,86 0.353,87 1.689,88 32.53,89 11.066,90 44.442,91 16.513,92 0.265,93 1.581,94 30.445,95 10.349,96 36.368,97 15.743,98 0.351,99 1.386,100 27.58,101 8.94,102 42.258,103 13.755,104 4,105 42,106 0.238,107 0.529,108 0.652,109 0.756,110 0.772,111 0.772,112 3.408,113 0.948,114 -4.58,115 -4.51,116 -4.24,121 41.1,127 6,129 1,144 11,145 2,147 1,149 1,152 1,176 12,179 3,180 2,183 1,185 3,187 13,191 1,195 1,197 4,200 10,206 3,209 2,211 4,214 10,218 2,219 4,224 2,227 14,232 8,235 1,239 12,244 11,247 1,251 6,256 8,259 2,264 1,269 6,281 1411,282 20.353,283 20.353,284 20.353,285 20.353,286 20.353,287 18.201,288 25.27,289 12.582,290 20.8,291 15.835,292 15.835,293 15.835,294 15.835,295 15.835,296 12.76,297 40.709,298 5.949,299 16.585,300 4.358,301 2.586,302 1.835,303 1.206,304 1.107,305 1.107,306 4.112,311 1,312 1,313 740,314 3,318 403.927,325 1.922,326 17.623,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 61.5,338 341,339 4.282,340 3.426,341 6.517,342 4.017,343 3.04,344 3.782,345 1.193,346 10.265,347 2.977,348 4.141,349 3.152,350 6.171,351 3.806,352 2.889,353 3.673,354 0.8,355 9.183,356 2.643,357 3.736,358 2.767,359 5.372,360 3.421,361 2.494,362 3.298,363 0.8,364 7.057,365 2.311,366 3.647,367 2.458,368 5.247,369 3.278,370 2.278,371 2.84,372 0.14,373 6.642,374 2.278,375 3.397,376 2.361,377 5.247,378 3.163,379 2.235,380 2.471,382 6.4,383 2.068,384 3.099,385 1.798,386 4.329,387 2.685,388 1.701,389 2.318,391 4.129,392 1.674,393 2.786,394 1.653,395 4.088,396 2.408,397 1.481,398 1.908,400 3.636,401 1.368,402 2.781,403 1.493,404 3.555,405 2.317,406 1.317,407 1.877,409 2.88,410 1.317,411 2.521,412 1.38,413 3.492,414 2.116,415 1.175,416 1.526,418 2.574,419 1.101,420 2.5,421 1.153,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1.146,431 3.352,432 2,433 1,434 1.5,436 2.136,437 1,438 2.069,439 1,440 3.247,441 1.967,442 1,443 1.053,445 2.136,446 0.965,447 2.052,448 1,449 3.247,450 1.914,451 1,452 1,454 1.95,455 0.908,456 2,457 0.855,458 3.154,459 1.696,460 0.735,461 0.943,463 1.811,464 0.704,465 1.046,466 0.237,467 2.701,468 0.801,469 -0.118,470 -0.122,472 -0.218,473 -0.107,474 13.833,475 0.477,476 0.427,477 0.015,478 38.25,479 1.319,480 19,481 0.655,482 19.25,483 0.664,484 22.833,485 0.787,486 31.167,487 0.557,488 28.127,489 0.97,490 7.756,491 0.267,492 6.575,493 0.227,494 0.024,496 0.239,501 1.003,502 1.454,503 0.867,504 1.127,505 0.946,506 1.006,507 1.141,508 1.058,509 1.062,510 0.995,511 0.907,512 1.011,513 0.964,514 1.086,515 1.015,516 0.997,517 0.782,518 1.004,519 0.895,520 1.041,521 1.002,522 1.006,523 0.728,524 1.005,525 1.157,526 0.855,527 0.945,528 0.826,529 1.167,530 0.854,531 1.094,532 1.036,533 1.037,534 0.972,535 1.123,536 0.994,537 0.813,538 1.058,539 0.976,540 1.002,541 0.65,542 0.997,543 0.867,544 0.956,545 0.988,546 0.919,547 0.65,548 0.948,549 4,550 0.111,551 2.444,552 1.25,553 1.067,554 0.653,555 0.384,556 0.455,557 0.209,558 0.066,559 11044,560 25523,561 2.154,562 48.2,564 24,566 1,567 2,572 1.722,573 2.096,574 3.481,575 0.194,577 1,582 81.178,583 1.45,584 3.222,585 3.972,586 4.602,587 4.7,588 4.7,589 2.945,590 3.935,591 4.826,592 3.661,593 1486.24,594 8.421,595 20227.7,597 1,599 1,600 325.212,601 1,602 4.824,603 0.125,604 0.005,605 0.058,606 0.029,607 0.026,608 0.015,609 0.009,610 0.012,611 0.007,612 0.002,613 0.289,614 0.17,615 1,616 0.67,617 147.563,618 -0.045,619 -0.241,620 0.057,621 -0.057,622 -0.067,623 -0.003,624 -0.009,625 0.107,626 -0.091,627 -0.015,628 -0.05,629 -0.059,630 -0.009,631 -0.035,632 -0.04,633 -0.021,634 -0.028,635 -0.034,636 -0.01,637 -0.017,638 -0.025,639 -0.042,640 -0.015,641 -0.035,642 -0.064,643 0.141,644 0.052,645 0.137,646 -0.071,647 0.112,648 -0.076,649 -0.015,650 -0.058,651 0.01,652 -0.107,653 -0.018,654 -0.018,655 -0.045,656 -0.006,657 -0.028,658 -0.009,659 -0.017,660 0.065,661 0.054,662 -0.002,663 0.036,664 0.127,665 0.017,666 1.318,667 3.121,668 0.828,669 28.147,670 0.992,671 1.13,672 3.354,673 11.251,674 0.658,675 3.497,676 3.761,677 4.025,678 4.277,679 4.522,680 4.522,681 4.682,682 4.779,683 4.828,684 4.86,685 6.816,686 0.618,687 389.55,688 3.497,689 5.004,690 5.838,691 6.691,692 7.543,693 8.404,694 9.264,695 10.129,696 10.992,697 11.859,698 8.9,701 1,703 1,704 1,708 2,715 12,716 2,720 4,722 18,734 1,736 1,741 56,743 18,744 2,745 32,747 59,748 23,749 16,750 2,751 10,756 4,757 4,763 1,770 1,772 16,773 7,790 1,793 27,794 6,795 2,796 6,802 5,808 1,809 1,810 1,823 1,829 4,855 1,857 1,859 4,868 29,875 1,876 6,877 1,880 1,881 2,893 1.8,894 1,901 13.833,902 9.583,903 6.583,904 3.346,907 2.331,908 1.315,909 0.969,910 6.601,911 9.72,912 3.738,913 4.241,914 4.751,915 5.267,916 5.787,917 5.821,918 6.229,919 6.602,920 6.94,921 7.195,922 0.875,923 43,924 10.707,926 4.44,927 0.026,929 7.552,931 20.958,933 17.136,936 2.052,937 59.5,939 1,940 1,941 294.278,942 134.413,943 57.83,945 42.683,948 134.413,949 336.961,950 57.83,952 10.529,953 146.922,954 63.353,955 21.667,956 4.227,957 282.506,959 294.278,960 192.243,961 42.683,964 294.278,966 42.683,968 24.599,969 116.062,970 51.582,972 294.278,973 100.514,974 134.413,977 294.278,978 21.127,979 119.535,980 18.011,981 76.254,982 294.278,983 100.514,984 134.413,986 0.558,987 0.325,988 0.185,989 0.105,990 19,991 7,992 0.119,993 7,995 1,996 4.143,997 251.965,999 24,1000 116.881,1005 19.683,1006 9.725,1007 5.055,1009 100.514,1010 24.571,1011 9.288,1015 3.942,1017 60.694,1018 529.204,1019 41,1031 55.556,1032 63.268,1034 0.25,1035 0.555,1036 0.684,1037 0.792,1038 0.809,1039 0.809,1040 4.938,1041 1.317,1042 5.771,1043 3.636,1044 4.443,1045 4.927,1046 1.659,1047 6.524,1048 4.352,1049 6.077,1050 1.175,1051 7.281,1052 2.88,1053 3.761,1054 4.29,1055 1.057,1056 7.298,1057 3.594,1058 7.329,1059 1,1060 8.896,1061 2.574,1062 5.964,1063 6.954,1064 1.469,1065 10.41,1066 5.778,1067 8.614,1068 1,1069 10.576,1070 2.275,1071 6.176,1072 7.151,1073 1.328,1074 12.077,1075 5.917,1076 9.933,1077 1,1078 12.301,1079 2.136,1080 7.766,1081 9.25,1082 1.528,1083 14.662,1084 7.49,1085 11.276,1086 1,1087 14.056,1088 2.136,1089 8.414,1090 9.871,1091 1.557,1092 16.693,1093 8.078,1094 12.637,1095 0.735,1096 15.833,1097 1.95,1098 9.726,1099 11.677,1100 1.711,1101 19.098,1102 9.37,1103 3.04,1104 -0.118,1105 17.626,1106 1.811,1107 10.596,1108 12.544,1109 1.813,1110 21.285,1111 10.194,1112 2.889,1113 10.265,1114 19.432,1115 -0.218,1116 11.781,1117 14.176,1118 1.962,1119 23.627,1120 11.356,1121 2.494,1122 9.183,1123 21.247,1124 3.782,1125 12.763,1126 15.198,1127 2.098,1128 25.883,1129 12.303,1130 2.278,1131 7.057,1132 23.069,1133 3.673,1134 13.892,1135 16.72,1136 2.252,1137 28.203,1138 13.41,1139 2.235,1140 6.642,1141 24.898,1142 3.298,1143 14.931,1144 17.843,1145 2.404,1146 30.49,1147 14.421,1148 1.701,1149 6.4,1150 26.733,1151 2.84,1152 16.037,1153 19.293,1154 2.564,1155 32.804,1156 15.506,1157 1.481,1158 4.129,1159 28.571,1160 2.471,1161 17.104,1162 20.482,1163 2.726,1164 35.106,1165 16.55,1166 10483,1167 16033,1168 22.246,1169 36.858,1170 47.145,1171 46.675,1172 47.517,1173 46.804,1174 46.695,1175 59.377,1176 5.866,1177 126.147,1178 44.632,1179 5.282,1180 5.426,1181 6.318,1182 5.091,1183 5.04,1184 6.782,1185 1.873,1186 16.999,1187 4.977,1188 7.634,1189 1.473,1190 1.459,1191 1.485,1192 1.463,1193 1.459,1194 1.856,1195 0.183,1196 3.942,1197 1.395,1198 4.017,1199 4.06,1200 3.957,1201 3.942,1202 6.456,1203 3.938,1204 3.892,1205 3.951,1206 3.824,1207 3.753,1208 5.003,1209 3.743,1210 3.808,1211 3.841,1212 3.729,1213 3.707,1214 4.796,1215 3.73,1216 3.729,1217 3.793,1218 3.634,1219 3.546,1220 4.688,1221 3.559,1222 3.422,1223 3.49,1224 3.264,1225 3.2,1226 4.319,1227 3.202,1228 3.235,1229 3.303,1230 3.123,1231 3.09,1232 4.136,1233 3.088,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.86,1239 2.91,1240 2.928,1241 3.01,1242 2.799,1243 2.735,1244 3.742,1245 2.715,1246 0.134,1247 0.107,1248 0.204,1249 0.126,1250 0.095,1251 4.282,1252 0.118,1253 3.426,1254 0.037,1255 6.517,1256 0.321,1257 4.017,1258 0.093,1259 3.04,1260 3.782,1261 1.193,1262 10.265,1263 2.977,1264 1.979,1265 1.951,1266 2.088,1267 2.081,1268 1.31,1269 2.079,1270 1.824,1271 1.794,1272 1.996,1273 2.03,1274 1.241,1275 2.029,1276 1.821,1277 1.757,1278 1.961,1279 1.905,1280 1.01,1281 1.926,1282 1.673,1283 1.614,1284 1.807,1285 1.876,1286 0.948,1287 1.862,1288 1.385,1289 1.315,1290 1.671,1291 1.645,1292 0.825,1293 1.654,1294 1.212,1295 1.156,1296 1.513,1297 1.41,1298 0.791,1299 1.429,1300 1.153,1301 1.064,1302 1.415,1303 1.376,1304 0.571,1305 1.415,1306 0.886,1307 0.821,1308 1.181,1309 1.167,1310 0.34,1311 1.163,1312 4.174,1314 5.451,1316 6.938,1318 8.514,1320 10.134,1327 9.121,1328 4.493,1329 3.599,1332 0.015,1333 4.471,1340 34.617,1341 81.178,1342 180.423,1343 222.429,1344 257.702,1345 263.212,1346 263.212,1347 39.542,1348 7.39,1349 64.52,1350 64.52,1351 24,1352 12.405,1353 4.248,1354 3.322,1355 44.603,1356 117,1357 147,1358 0.183,1359 213.442,1360 364.35,1361 512.558,1362 15635,1364 19.891,1365 0.686,1366 0.568,1367 19.891,1368 16.484,1369 14.331,1370 0.448,1371 0.316,1372 9.978,1373 13.851,1374 9.801,1375 8.094,1376 14.331,1377 10.109,1378 12.058,1379 0.287,1380 0.171,1381 12.058,1382 7.193,1383 10.195,1384 0.185,1385 0.096,1386 10.195,1387 5.272,1388 8.611,1389 0.121,1390 0.052,1391 8.611,1392 3.692,1393 7.189,1394 0.079,1395 0.028,1396 7.189,1397 2.584,1398 0.287,1399 89.15,1400 0.212,1401 27.591,1402 0.501,1403 148,1404 371.063,1405 159.986,1406 364.759,1407 507.6,1408 346,1409 171,1410 373.698,1411 183.764,1412 380.477,1413 555.84,1414 360,1415 4.666}
{0 CHEMBL1834079,1 1.433,2 12.5,3 4.104,4 16.846,5 123.593,6 6.84,7 0.545,8 4.159,9 4.294,10 3.667,11 3.671,12 5.169,13 3.64,14 4.713,15 4.913,16 3.961,17 4.045,18 5.646,19 3.986,20 4.95,21 5.185,22 4.01,23 4.21,24 5.778,25 4.106,26 5.046,27 5.309,28 3.987,29 4.23,30 5.852,31 4.105,32 5.077,33 5.347,34 4.041,35 4.253,36 5.917,37 4.145,38 5.002,39 5.237,40 4.012,41 4.259,42 5.901,43 4.146,44 5.011,45 5.283,46 3.891,47 4.183,48 5.842,49 4.043,50 4.893,51 5.181,52 3.75,53 4.016,54 5.697,55 3.883,56 0.049,57 0.888,58 13.401,59 5.185,60 10.245,61 7.445,62 0.357,63 1.424,64 25.11,65 8.251,66 26.953,67 12.051,68 0.34,69 1.722,70 31.979,71 10.836,72 27.585,73 16.379,74 0.333,75 1.825,76 35.672,77 11.956,78 32.647,79 18.25,80 0.441,81 1.838,82 37.407,83 12.079,84 41.209,85 18.275,86 0.348,87 1.778,88 33.758,89 11.722,90 37.568,91 17.472,92 0.284,93 1.736,94 34.454,95 11.848,96 38.392,97 18.103,98 0.404,99 1.499,100 31.289,101 9.842,102 37.699,103 15.404,104 5,105 43,106 0.233,107 0.514,108 0.66,109 0.757,110 0.773,111 0.773,112 3.44,113 0.954,114 -4.8,115 -4.71,116 -4.42,121 40.7,126 1,127 6,129 1,144 11,145 2,147 1,149 1,152 1,176 12,179 3,180 2,183 1,185 3,187 13,191 2,197 4,200 10,206 3,209 2,211 4,214 10,218 2,219 4,224 2,227 14,231 1,232 8,239 12,244 11,247 1,251 6,255 2,256 8,264 1,269 6,281 1580,282 21.06,283 21.06,284 21.06,285 21.06,286 21.06,287 18.908,288 27.426,289 13.107,290 21.663,291 16.335,292 16.335,293 16.335,294 16.335,295 16.335,296 13.26,297 42.832,298 6.244,299 17.223,300 4.45,301 2.723,302 1.823,303 1.225,304 1.131,305 1.131,306 4.144,311 1,312 1,313 811,314 3.162,318 423.059,325 2.133,326 15.623,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 63.5,338 375,339 4.282,340 3.426,341 6.517,342 4.017,343 3.04,344 3.782,345 1.193,346 10.265,347 2.977,348 4.141,349 3.152,350 6.171,351 3.807,352 2.889,353 3.673,354 0.86,355 9.183,356 2.643,357 3.736,358 2.777,359 5.373,360 3.423,361 2.497,362 3.298,363 0.8,364 7.064,365 2.312,366 3.648,367 2.463,368 5.248,369 3.278,370 2.278,371 2.84,372 0.8,373 6.648,374 2.278,375 3.401,376 2.361,377 5.247,378 3.167,379 2.239,380 2.475,381 0.14,382 6.4,383 2.071,384 3.099,385 2.107,386 4.33,387 2.686,388 1.703,389 2.318,391 4.138,392 1.675,393 2.792,394 1.788,395 4.088,396 2.445,397 1.531,398 1.908,400 3.64,401 1.394,402 2.781,403 1.587,404 3.555,405 2.317,406 1.356,407 1.881,409 2.88,410 1.317,411 2.558,412 1.38,413 3.499,414 2.242,415 1.317,416 1.57,418 2.669,419 1.197,420 2.5,421 1.165,422 3.419,423 2.033,424 1.101,425 1.5,427 2.485,428 1.02,429 2.5,430 1.146,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.347,439 1,440 3.351,441 2,442 1,443 1.337,445 2.136,446 1,447 2.059,448 1,449 3.247,450 1.967,451 1,452 1,454 2.136,455 0.965,456 2,457 0.855,458 3.247,459 1.696,460 0.736,461 0.944,463 1.947,464 0.705,465 1.345,466 0.709,467 2.713,468 1.223,469 0.325,470 0.33,472 0.544,473 0.29,474 14.333,475 0.478,476 0.427,477 0.014,478 39,479 1.3,480 19,481 0.633,482 20,483 0.667,484 24.213,485 0.807,486 32.467,487 0.55,488 28.956,489 0.965,490 7.994,491 0.266,492 6.837,493 0.228,494 0.035,496 0.23,501 0.947,502 1.513,503 0.864,504 1.204,505 0.842,506 1.051,507 1.481,508 0.995,509 1.081,510 0.919,511 1.121,512 0.954,513 0.988,514 1.125,515 1.047,516 1.036,517 0.926,518 1.041,519 0.873,520 1.068,521 0.989,522 1.02,523 0.988,524 1.009,525 1.209,526 0.801,527 0.919,528 0.758,529 1.117,530 0.795,531 1.106,532 1.1,533 1.095,534 1.049,535 1.199,536 1.067,537 0.752,538 1.079,539 0.964,540 1.029,541 0.955,542 1.014,543 0.892,544 0.853,545 0.924,546 0.807,547 0.909,548 0.846,549 4,550 0.119,551 2.444,552 1.25,553 1.067,554 0.653,555 0.404,556 0.483,557 0.209,558 0.066,559 12285,560 27362,561 2.148,562 49.2,564 27,566 1,567 1,572 1.73,573 2.093,574 3.556,575 -0.382,577 1,582 84.546,583 1.433,584 3.159,585 4.06,586 4.658,587 4.751,588 4.751,589 3.057,590 4.015,591 4.873,592 3.747,593 1629.78,594 8.511,595 22938.5,597 1,600 347.076,601 0.982,602 4.873,603 0.121,604 0.005,605 0.057,606 0.028,607 0.025,608 0.014,609 0.009,610 0.013,611 0.006,612 0.002,613 0.282,614 0.33,615 1,616 0.818,617 155.047,618 0.018,619 -0.291,620 0.078,621 -0.119,622 0.057,623 -0.03,624 -0.068,625 0.152,626 -0.074,627 0.057,628 -0.041,629 -0.006,630 -0.014,631 -0.055,632 -0.07,633 -0.052,634 -0.04,635 -0.066,636 0.011,637 -0.048,638 -0.01,639 -0.053,640 -0.008,641 -0.036,642 -0.071,643 0.199,644 0.086,645 0.194,646 -0.005,647 0.164,648 -0.089,649 -0.054,650 -0.118,651 -0.052,652 -0.129,653 -0.085,654 0.011,655 -0.086,656 0.005,657 -0.052,658 0.011,659 -0.028,660 0.067,661 0.131,662 0.074,663 0.129,664 0.101,665 0.111,666 1.305,667 1.835,668 0.8,669 31.378,670 0.991,671 1.13,672 3.565,673 12.711,674 0.655,675 3.526,676 3.784,677 4.043,678 4.29,679 4.543,680 4.543,681 4.7,682 4.812,683 4.875,684 4.89,685 7.177,686 0.613,687 403.58,688 3.526,689 5.03,690 5.861,691 6.711,692 7.561,693 8.42,694 9.278,695 10.142,696 11.004,697 11.87,698 8.5,701 1,703 1,704 1,708 2,715 12,716 2,720 4,722 18,734 1,736 1,741 59,743 18,744 2,745 33,747 62,748 24,749 16,750 2,751 10,756 4,757 4,770 1,772 16,773 8,790 1,793 29,794 6,795 1,796 6,802 5,808 1,809 1,823 1,829 4,855 1,858 1,859 4,864 1,868 30,876 6,877 1,878 1,880 1,881 2,893 1.7,897 1,901 14.333,902 10.55,903 6.833,904 3.496,907 2.328,908 1.312,909 0.977,910 7.169,911 9.796,912 3.761,913 4.256,914 4.76,915 5.272,916 5.794,917 5.827,918 6.233,919 6.607,920 6.948,921 7.201,922 1,923 44,924 11.073,926 4.533,927 0.026,929 7.467,931 21.792,933 17.617,936 1.967,937 59,940 1,941 329.591,942 149.888,943 57.83,945 11,948 149.888,949 340.591,950 57.83,951 10.883,952 15.121,953 104.239,954 74.353,955 21.667,956 4.227,957 317.82,959 329.591,960 207.719,961 11,964 329.591,966 11,968 29.192,969 126.945,970 51.582,972 329.591,973 68.83,974 149.888,977 329.591,978 25.719,979 130.418,980 18.011,981 44.571,982 329.591,983 68.83,984 149.888,986 0.556,987 0.321,988 0.181,989 0.106,990 19,991 7,992 0.129,993 8,995 1,996 4.25,997 261.652,999 24,1000 123.207,1005 20.641,1006 10.419,1007 5.51,1009 68.83,1010 24.731,1011 9.37,1015 4.025,1017 18.011,1018 548.309,1019 42,1031 58.44,1032 66.683,1034 0.244,1035 0.537,1036 0.69,1037 0.792,1038 0.808,1039 0.808,1040 4.959,1041 1.356,1042 5.79,1043 3.64,1044 4.466,1045 4.942,1046 1.907,1047 6.535,1048 4.369,1049 6.093,1050 1.317,1051 7.295,1052 2.88,1053 3.761,1054 4.29,1055 1.057,1056 7.298,1057 3.594,1058 7.342,1059 1.101,1060 8.905,1061 2.669,1062 5.979,1063 6.96,1064 1.694,1065 10.414,1066 5.787,1067 8.623,1068 1,1069 10.583,1070 2.485,1071 6.176,1072 7.151,1073 1.328,1074 12.077,1075 5.917,1076 9.94,1077 1,1078 12.305,1079 2.275,1080 7.774,1081 9.252,1082 1.689,1083 14.664,1084 7.495,1085 11.281,1086 1,1087 14.059,1088 2.136,1089 8.414,1090 9.871,1091 1.557,1092 16.693,1093 8.078,1094 12.641,1095 0.736,1096 15.835,1097 2.136,1098 9.731,1099 11.677,1100 1.814,1101 19.098,1102 9.372,1103 3.04,1104 0.325,1105 17.628,1106 1.947,1107 10.596,1108 12.544,1109 1.813,1110 21.286,1111 10.194,1112 2.889,1113 10.265,1114 19.433,1115 0.544,1116 11.784,1117 14.176,1118 2.022,1119 23.627,1120 11.358,1121 2.497,1122 9.183,1123 21.247,1124 3.782,1125 12.764,1126 15.198,1127 2.098,1128 25.883,1129 12.303,1130 2.278,1131 7.064,1132 23.07,1133 3.673,1134 13.894,1135 16.72,1136 2.286,1137 28.203,1138 13.411,1139 2.239,1140 6.648,1141 24.899,1142 3.298,1143 14.932,1144 17.843,1145 2.404,1146 30.49,1147 14.421,1148 1.703,1149 6.4,1150 26.733,1151 2.84,1152 16.038,1153 19.293,1154 2.583,1155 32.804,1156 15.507,1157 1.531,1158 4.138,1159 28.572,1160 2.475,1161 17.105,1162 20.482,1163 2.726,1164 35.106,1165 16.551,1166 11697,1167 17566,1168 22.94,1169 38.62,1170 48.198,1171 48.123,1172 48.675,1173 48.057,1174 48.026,1175 60.711,1176 7.586,1177 128.822,1178 45.689,1179 5.282,1180 5.426,1181 6.38,1182 5.091,1183 5.04,1184 6.782,1185 2.053,1186 16.999,1187 4.977,1188 7.896,1189 1.461,1190 1.458,1191 1.475,1192 1.456,1193 1.455,1194 1.84,1195 0.23,1196 3.904,1197 1.385,1198 4.018,1199 4.06,1200 3.957,1201 3.942,1202 5.004,1203 3.938,1204 3.893,1205 3.951,1206 3.825,1207 3.753,1208 4.796,1209 3.743,1210 3.808,1211 3.841,1212 3.729,1213 3.708,1214 4.688,1215 3.731,1216 3.733,1217 3.796,1218 3.638,1219 3.548,1220 4.637,1221 3.561,1222 3.481,1223 3.54,1224 3.325,1225 3.241,1226 4.3,1227 3.249,1228 3.242,1229 3.313,1230 3.134,1231 3.093,1232 4.134,1233 3.092,1234 3.114,1235 3.209,1236 2.923,1237 2.941,1238 3.854,1239 2.91,1240 3.111,1241 3.206,1242 2.866,1243 2.851,1244 3.74,1245 2.849,1246 0.13,1247 0.104,1248 0.197,1249 0.122,1250 0.092,1251 4.282,1252 0.115,1253 3.426,1254 0.036,1255 6.517,1256 0.311,1257 4.017,1258 0.09,1259 3.04,1260 3.782,1261 1.193,1262 10.265,1263 2.977,1264 1.979,1265 1.951,1266 2.088,1267 2.081,1268 1.312,1269 2.08,1270 1.824,1271 1.794,1272 1.997,1273 2.031,1274 1.241,1275 2.03,1276 1.822,1277 1.757,1278 1.961,1279 1.905,1280 1.01,1281 1.926,1282 1.675,1283 1.616,1284 1.811,1285 1.879,1286 0.975,1287 1.866,1288 1.426,1289 1.363,1290 1.711,1291 1.701,1292 0.825,1293 1.705,1294 1.215,1295 1.158,1296 1.513,1297 1.431,1298 0.793,1299 1.448,1300 1.153,1301 1.064,1302 1.504,1303 1.378,1304 0.575,1305 1.429,1306 1.103,1307 1.004,1308 1.414,1309 1.376,1310 0.56,1311 1.404,1312 4.205,1314 5.476,1316 6.957,1318 8.528,1320 10.144,1322 1.751,1328 5.6,1329 3.623,1330 5.193,1332 0.029,1333 4.678,1340 36.143,1341 84.546,1342 186.393,1343 239.538,1344 274.811,1345 280.321,1346 280.321,1347 38.889,1348 7.469,1349 53.52,1350 53.52,1351 24,1352 12.417,1353 4.248,1354 3.322,1355 46.998,1356 127,1357 166,1358 0.177,1359 223.034,1360 381.65,1361 535.963,1362 17523,1364 20.598,1365 0.687,1366 0.582,1367 20.598,1368 17.445,1369 14.831,1370 0.449,1371 0.318,1372 10.333,1373 14.271,1374 10.098,1375 8.373,1376 14.831,1377 10.49,1378 12.411,1379 0.289,1380 0.174,1381 12.411,1382 7.462,1383 10.464,1384 0.187,1385 0.098,1386 10.464,1387 5.468,1388 8.695,1389 0.121,1390 0.052,1391 8.695,1392 3.771,1393 7.393,1394 0.079,1395 0.029,1396 7.393,1397 2.704,1398 0.28,1399 92.65,1400 0.209,1401 28.517,1402 0.48,1403 152,1404 386.649,1405 164.76,1406 376.603,1407 523.36,1408 358,1409 175,1410 382.91,1411 188.761,1412 391.994,1413 569.79,1414 368,1415 4.407}
{0 CHEMBL1834806,1 1.273,2 24.116,3 10.868,4 118.109,5 173.341,6 6.471,7 0.348,8 4.562,9 4.675,10 4.002,11 4.082,12 5.528,13 4.034,14 5.146,15 5.326,16 4.288,17 4.453,18 6.073,19 4.368,20 5.378,21 5.621,22 4.287,23 4.556,24 6.202,25 4.429,26 5.392,27 5.632,28 4.249,29 4.543,30 6.22,31 4.414,32 5.383,33 5.633,34 4.181,35 4.517,36 6.191,37 4.373,38 5.349,39 5.594,40 4.172,41 4.482,42 6.177,43 4.343,44 5.325,45 5.576,46 4.147,47 4.442,48 6.152,49 4.306,50 5.292,51 5.54,52 4.105,53 4.404,54 6.14,55 4.263,56 0.058,57 1.148,58 21.536,59 9.8,60 10.238,61 12.793,62 0.508,63 1.87,64 39.944,65 15.994,66 43.38,67 21.422,68 0.513,69 2.257,70 50.198,71 19.536,72 51.589,73 27.035,74 0.479,75 2.261,76 51.109,77 19.491,78 54.649,79 26.85,80 0.589,81 2.228,82 50.68,83 19.298,84 56.329,85 26.8,86 0.55,87 2.154,88 49.018,89 18.613,90 55.311,91 25.779,92 0.556,93 2.084,94 47.955,95 18,96 55.564,97 24.974,98 0.622,99 2.016,100 46.454,101 17.428,102 57.085,103 24.221,104 34,105 58,106 0.19,107 0.469,108 0.706,109 0.827,110 0.865,111 0.882,112 3.787,113 1.052,114 -6.93,115 -6.73,116 -6.23,121 40.7,122 1,123 14,126 1,127 1,128 1,137 4,144 6,145 3,146 3,154 2,160 1,176 25,179 2,180 9,187 24,191 1,192 13,200 23,206 11,214 21,218 1,219 9,227 20,231 1,232 9,239 20,243 1,244 8,251 20,255 2,256 6,264 18,268 2,269 8,277 16,281 5183,282 29.949,283 29.949,284 29.949,285 29.949,286 29.949,287 27.512,288 26.351,289 19.025,290 30.379,291 22.75,292 22.75,293 22.75,294 22.75,295 22.75,296 18.811,297 23.637,298 9.132,299 23.308,300 5.234,301 3.356,302 1.767,303 0.956,304 0.698,305 0.588,306 4.486,313 2223,314 5.292,317 253.478,318 288.238,321 446.518,325 3.788,326 34.86,329 0.5,330 0.5,331 0.5,332 0.8,333 1,334 0.5,335 0.5,336 0.61,337 92,338 1037,339 4.62,340 3.682,341 6.616,342 4.169,343 3.18,344 4.573,345 2.443,346 10.658,347 3.149,348 4.308,349 3.325,350 6.255,351 3.906,352 2.945,353 3.963,354 1.392,355 9.446,356 2.832,357 3.906,358 3.244,359 5.952,360 3.559,361 2.585,362 3.356,363 0.86,364 8.411,365 2.505,366 3.661,367 2.749,368 5.294,369 3.361,370 2.386,371 2.925,372 0.68,373 6.755,374 2.307,375 3.567,376 2.531,377 5.2,378 3.233,379 2.241,380 2.826,381 0.532,382 6.199,383 2.219,384 3.417,385 2.359,386 5.034,387 2.984,388 2.025,389 2.77,390 0.286,391 6.09,392 1.963,393 3.324,394 2.24,395 4.426,396 2.964,397 1.964,398 2.437,400 4.29,401 1.932,402 3.073,403 2.054,404 4.243,405 2.86,406 1.862,407 2.095,409 3.926,410 1.858,411 2.888,412 1.991,413 3.965,414 2.697,415 1.701,416 2.029,418 3.787,419 1.693,420 2.802,421 1.914,422 3.9,423 2.499,424 1.534,425 1.884,427 3.711,428 1.489,429 2.773,430 1.848,431 3.86,432 2.479,433 1.515,434 1.793,436 3.381,437 1.444,438 2.63,439 1.778,440 3.703,441 2.409,442 1.418,443 1.608,445 3.092,446 1.397,447 2.519,448 1.677,449 3.562,450 2.311,451 1.327,452 1.509,454 2.848,455 1.3,456 2.341,457 1.401,458 3.434,459 2.192,460 1.191,461 1.3,463 2.488,464 1.19,465 2.261,466 1.292,467 3.427,468 2.022,469 1.027,470 1.196,472 2.335,473 1.021,474 20.5,475 0.477,476 0.585,477 0.014,478 44.75,479 1.041,480 19,481 0.442,482 25.75,483 0.599,484 48.086,485 1.118,486 49.1,487 0.54,488 33.556,489 0.78,490 8.121,491 0.189,492 13.053,493 0.304,494 0.065,496 0.22,501 0.805,502 1.288,503 0.921,504 1.261,505 0.653,506 1.128,507 0.997,508 1.134,509 1.023,510 1.125,511 0.705,512 1.085,513 0.845,514 0.988,515 0.894,516 0.982,517 0.833,518 0.95,519 1.056,520 1.016,521 0.984,522 1.01,523 1.14,524 0.99,525 0.951,526 0.974,527 0.976,528 0.975,529 1.103,530 0.979,531 0.965,532 1.03,533 0.985,534 1.027,535 1.134,536 1.011,537 0.981,538 0.976,539 0.941,540 0.971,541 0.998,542 0.953,543 0.904,544 1.03,545 0.966,546 1.028,547 1.218,548 1.009,549 5.5,550 0.154,551 2.889,552 1.701,553 1.623,554 0.851,555 0.581,556 0.384,557 0.335,558 0.247,559 44250,560 91982,561 2.074,562 52.7,563 27,564 15,565 2,568 2,569 2,572 1.806,573 2,574 4.462,575 -0.855,582 115.872,583 1.273,584 3.151,585 4.74,586 5.552,587 5.81,588 5.92,589 3.955,590 5.287,591 5.388,592 4.71,593 4252.73,594 9.476,595 95248.9,600 592.209,601 1.081,602 5.384,603 0.12,604 0.004,605 0.05,606 0.03,607 0.03,608 0.017,609 0.012,610 0.008,611 0.007,612 0.006,613 0.283,614 0.17,615 0.63,616 3.124,617 263.247,618 0.018,619 -0.085,620 0.063,621 -0.07,622 0.028,623 -0.007,624 0.093,625 -0.051,626 -0.013,627 -0.053,628 0.12,629 -0.048,630 0.052,631 0.021,632 0.084,633 0.028,634 0.048,635 0.056,636 -0.052,637 -0.014,638 0.008,639 -0.009,640 -0.053,641 0.006,642 0.005,643 0.018,644 0.008,645 0.017,646 -0.035,647 0.014,648 0.02,649 -0.034,650 0.004,651 -0.032,652 -0.033,653 -0.018,654 0.027,655 0.009,656 0.051,657 0.014,658 0.036,659 0.033,660 0.102,661 -0.042,662 0.025,663 -0.04,664 0.012,665 -0.021,666 1.762,667 5.186,668 0.419,669 89.391,670 0.991,671 1.123,672 5.699,673 32.477,674 0.637,675 3.85,676 4.078,677 4.304,678 4.543,679 4.727,680 4.875,681 5.037,682 5.187,683 5.278,684 5.407,685 13.454,686 0.593,687 588.85,688 3.85,689 5.342,690 6.155,691 6.993,692 7.834,693 8.692,694 9.553,695 10.426,696 11.301,697 12.185,714 2,715 6,718 1,720 6,722 16,739 3,741 91,743 19,744 2,745 46,747 94,748 37,749 14,750 7,751 5,756 4,757 6,763 1,770 14,772 19,773 18,777 3,782 1,784 4,786 1,792 1,793 48,794 6,796 6,808 0.5,809 6,828 2,829 2,832 2,846 1,849 4,859 2,864 2,868 43,876 16,878 4,893 6.6,896 1,898 5,901 21.5,902 16.583,903 10.028,904 6.292,907 3.657,908 1.43,909 0.943,910 14.392,911 12.172,912 4.06,913 4.551,914 5.09,915 5.676,916 6.215,917 6.644,918 7.107,919 7.577,920 7.926,921 8.313,922 0.938,923 57,924 16.001,926 6.497,927 0.026,929 7.535,931 31.571,933 25.326,936 2.035,937 87.5,941 565.013,942 203.348,945 78.652,948 203.348,949 643.665,951 19.708,952 46.726,953 94.762,954 32.336,955 78.181,956 33.827,957 541.471,959 565.013,960 203.348,961 78.652,964 541.471,965 102.194,968 55.551,969 109.891,970 37.905,972 565.013,973 78.652,974 203.348,977 565.013,978 88.877,979 114.471,981 78.652,982 565.013,983 78.652,984 203.348,986 0.546,987 0.306,988 0.163,989 0.085,990 21,991 9,992 0.223,993 21,994 2,995 1.222,996 5.763,997 376.971,998 0.222,999 18,1000 231.329,1005 33.044,1006 18.728,1007 10.976,1008 1.683,1009 78.652,1010 11.913,1013 6.157,1015 4.929,1018 847.012,1019 57,1024 12.186,1026 9.163,1028 -0.095,1031 90.17,1032 102.221,1034 0.196,1035 0.484,1036 0.728,1037 0.853,1038 0.893,1039 0.91,1040 5.257,1041 1.862,1042 6.071,1043 4.29,1044 4.762,1045 5.239,1046 2.884,1047 6.795,1048 4.717,1049 6.399,1050 1.701,1051 7.562,1052 3.926,1053 4.007,1054 4.902,1055 2.243,1056 7.526,1057 3.935,1058 7.664,1059 1.534,1060 9.161,1061 3.787,1062 6.248,1063 7.368,1064 4.021,1065 10.667,1066 6.161,1067 8.974,1068 1.515,1069 10.832,1070 3.711,1071 6.447,1072 8.008,1073 4.269,1074 12.343,1075 6.326,1076 10.327,1077 1.418,1078 12.553,1079 3.381,1080 8.035,1081 9.886,1082 5.549,1083 14.955,1084 7.908,1085 11.711,1086 1.327,1087 14.308,1088 3.092,1089 8.715,1090 10.985,1091 6.158,1092 17.009,1093 8.557,1094 13.12,1095 1.191,1096 16.088,1097 2.848,1098 10.025,1099 12.635,1100 7.229,1101 19.444,1102 9.863,1103 3.18,1104 1.027,1105 17.887,1106 2.488,1107 10.945,1108 13.951,1109 7.992,1110 21.658,1111 10.759,1112 2.945,1113 10.658,1114 19.699,1115 2.335,1116 12.141,1117 15.51,1118 8.97,1119 24.03,1120 11.949,1121 2.585,1122 9.446,1123 21.522,1124 4.573,1125 13.176,1126 16.927,1127 9.802,1128 26.315,1129 12.967,1130 2.386,1131 8.411,1132 23.354,1133 3.963,1134 14.329,1135 18.452,1136 10.736,1137 28.668,1138 14.112,1139 2.241,1140 6.755,1141 25.192,1142 3.356,1143 15.418,1144 19.918,1145 11.599,1146 30.986,1147 15.189,1148 2.025,1149 6.199,1150 27.036,1151 2.925,1152 16.556,1153 21.43,1154 12.513,1155 33.334,1156 16.32,1157 1.964,1158 6.09,1159 28.884,1160 2.826,1161 17.671,1162 22.919,1163 13.391,1164 35.669,1165 17.425,1166 42528,1167 62372,1168 31.375,1169 58.001,1170 65.438,1171 67.308,1172 66.677,1173 65.039,1174 65.125,1175 80.798,1176 12.384,1177 170.269,1178 63.621,1179 5.585,1180 5.682,1181 6.608,1182 5.214,1183 5.18,1184 7.573,1185 4.174,1186 17.647,1187 5.149,1188 17.106,1189 1.423,1190 1.463,1191 1.449,1192 1.414,1193 1.416,1194 1.756,1195 0.269,1196 3.701,1197 1.383,1198 4.142,1199 4.144,1200 4.113,1201 4.05,1202 7.432,1203 4.063,1204 3.908,1205 3.917,1206 3.865,1207 3.814,1208 5.163,1209 3.822,1210 3.852,1211 3.904,1212 3.716,1213 3.748,1214 4.977,1215 3.732,1216 3.765,1217 3.821,1218 3.634,1219 3.643,1220 4.609,1221 3.628,1222 3.695,1223 3.744,1224 3.553,1225 3.556,1226 4.511,1227 3.546,1228 3.621,1229 3.673,1230 3.48,1231 3.479,1232 4.449,1233 3.474,1234 3.536,1235 3.594,1236 3.401,1237 3.4,1238 4.302,1239 3.386,1240 3.423,1241 3.466,1242 3.291,1243 3.255,1244 4.263,1245 3.256,1246 0.1,1247 0.08,1248 0.144,1249 0.091,1250 0.069,1251 4.62,1252 0.099,1253 3.682,1254 0.053,1255 6.616,1256 0.232,1257 4.169,1258 0.068,1259 3.18,1260 4.573,1261 2.443,1262 10.658,1263 3.149,1264 1.95,1265 1.935,1266 2.061,1267 2.036,1268 1.399,1269 2.037,1270 1.875,1271 1.864,1272 2.047,1273 1.975,1274 1.335,1275 2.006,1276 1.837,1277 1.786,1278 2.027,1279 1.963,1280 1.298,1281 1.969,1282 1.782,1283 1.725,1284 1.956,1285 1.936,1286 1.196,1287 1.96,1288 1.689,1289 1.634,1290 1.929,1291 1.857,1292 1.096,1293 1.88,1294 1.583,1295 1.533,1296 1.828,1297 1.777,1298 1.056,1299 1.793,1300 1.529,1301 1.468,1302 1.781,1303 1.706,1304 1.017,1305 1.738,1306 1.396,1307 1.333,1308 1.686,1309 1.591,1310 0.914,1311 1.623,1312 4.533,1314 5.784,1315 3.045,1316 7.215,1317 5.352,1318 8.747,1319 7.424,1320 10.348,1322 3.891,1328 15.623,1330 22.051,1340 53.932,1341 115.872,1342 286.775,1343 431.376,1344 505.19,1345 528.7,1346 538.7,1347 95.015,1348 8.515,1349 67.13,1350 67.13,1351 22,1352 12.722,1353 4.322,1354 3.585,1355 83.426,1356 347,1357 434,1358 0.11,1359 330.817,1360 592.86,1361 798.953,1362 82728,1364 30.116,1365 0.7,1366 0.606,1367 30.116,1368 26.037,1369 21.173,1370 0.46,1371 0.351,1372 15.953,1373 20.45,1374 15.575,1375 13.046,1376 21.173,1377 16.137,1378 17.313,1379 0.299,1380 0.193,1381 17.313,1382 11.2,1383 14.045,1384 0.192,1385 0.106,1386 14.045,1387 7.723,1388 11.369,1389 0.122,1390 0.057,1391 11.369,1392 5.283,1393 8.735,1394 0.078,1395 0.031,1396 8.735,1397 3.475,1398 0.19,1399 132.274,1400 0.179,1401 40.534,1402 0.263,1403 208,1404 586.413,1405 228.26,1406 544.503,1407 744.22,1408 516,1409 235,1410 538.818,1411 255.154,1412 539.531,1413 789.4,1414 507,1415 5.77}
{0 CHEMBL1834807,1 1.25,2 24.049,3 10.884,4 118.466,5 166.878,6 6.423,7 0.364,8 4.514,9 4.629,10 3.949,11 4.054,12 5.464,13 3.999,14 5.098,15 5.278,16 4.234,17 4.428,18 6.017,19 4.333,20 5.348,21 5.6,22 4.193,23 4.52,24 6.141,25 4.379,26 5.338,27 5.59,28 4.113,29 4.484,30 6.133,31 4.334,32 5.295,33 5.559,34 4.055,35 4.432,36 6.076,37 4.27,38 5.254,39 5.511,40 4.053,41 4.383,42 6.066,43 4.236,44 5.201,45 5.454,46 4.005,47 4.342,48 6.011,49 4.197,50 5.171,51 5.425,52 3.95,53 4.294,54 6.001,55 4.145,56 0.067,57 1.096,58 20.557,59 9.408,60 9.319,61 12.381,62 0.461,63 1.808,64 37.859,65 15.552,66 40.359,67 20.945,68 0.394,69 2.204,70 48.376,71 19.153,72 47.01,73 26.573,74 0.456,75 2.157,76 48.179,77 18.698,78 50.728,79 25.877,80 0.466,81 2.073,82 45.875,83 18.091,84 48.698,85 25.348,86 0.504,87 1.967,88 44.408,89 17.063,90 50.669,91 23.706,92 0.364,93 1.879,94 41.922,95 16.288,96 45.193,97 22.581,98 0.481,99 1.807,100 40.917,101 15.658,102 49.758,103 21.72,104 26,105 55,106 0.188,107 0.47,108 0.691,109 0.826,110 0.866,111 0.884,112 3.74,113 1.064,114 -7.26,115 -7.04,116 -6.51,121 41.4,122 1,123 14,127 1,128 1,137 4,144 7,145 3,146 2,154 2,160 1,176 26,179 2,180 9,187 26,192 11,200 26,206 8,214 23,218 1,219 7,227 22,231 1,232 8,239 21,244 8,251 20,255 1,256 8,264 19,269 7,277 17,281 4609,282 28.578,283 28.578,284 28.578,285 28.578,286 28.578,287 26.134,288 22.037,289 18.288,290 28.837,291 21.829,292 21.829,293 21.829,294 21.829,295 21.829,296 17.985,297 17.678,298 8.88,299 22.21,300 5.193,301 3.316,302 1.842,303 0.946,304 0.675,305 0.56,306 4.441,313 2123,314 5.148,317 243.589,318 276.555,321 428.544,325 3.904,326 30.504,329 0.5,330 0.5,331 0.5,332 0.8,333 1,334 0.5,335 0.5,336 0.61,337 87,338 986,339 4.54,340 3.682,341 6.412,342 4.099,343 3.105,344 4.47,345 2.443,346 10.028,347 3.091,348 4.282,349 3.318,350 6.187,351 3.866,352 2.903,353 3.946,354 1.392,355 9.235,356 2.796,357 3.863,358 3.073,359 5.86,360 3.519,361 2.535,362 3.303,363 0.68,364 8.114,365 2.482,366 3.66,367 2.692,368 5.253,369 3.359,370 2.382,371 2.909,372 0.532,373 6.641,374 2.304,375 3.551,376 2.373,377 5.034,378 3.204,379 2.208,380 2.826,381 0.286,382 6.089,383 2.195,384 3.324,385 2.359,386 4.434,387 2.964,388 1.964,389 2.437,391 4.343,392 1.963,393 3.073,394 2.054,395 4.409,396 2.86,397 1.862,398 2.297,400 4.273,401 1.858,402 3.032,403 1.992,404 4.24,405 2.697,406 1.701,407 2.095,409 3.926,410 1.693,411 2.888,412 1.914,413 3.965,414 2.535,415 1.536,416 2.029,418 3.777,419 1.534,420 2.802,421 1.848,422 3.862,423 2.499,424 1.533,425 1.881,427 3.71,428 1.489,429 2.771,430 1.79,431 3.709,432 2.479,433 1.515,434 1.793,436 3.379,437 1.444,438 2.63,439 1.677,440 3.59,441 2.408,442 1.417,443 1.607,445 3.048,446 1.396,447 2.509,448 1.529,449 3.441,450 2.311,451 1.327,452 1.497,454 2.807,455 1.299,456 2.332,457 1.401,458 3.432,459 2.191,460 1.19,461 1.289,463 2.356,464 1.189,465 2.174,466 1.262,467 3.214,468 2.015,469 1.015,470 1.145,472 2.315,473 1.014,474 19.667,475 0.48,476 0.533,477 0.013,478 42.75,479 1.043,480 18.5,481 0.451,482 24.25,483 0.591,484 44.427,485 1.084,486 46.333,487 0.533,488 30.239,489 0.738,490 7.621,491 0.186,492 12.603,493 0.307,494 0.042,496 0.203,501 0.788,502 1.247,503 0.931,504 1.224,505 0.64,506 1.112,507 0.913,508 1.175,509 1.041,510 1.169,511 0.654,512 1.127,513 0.907,514 0.976,515 0.918,516 0.972,517 0.852,518 0.95,519 1.079,520 0.98,521 1.015,522 0.981,523 1.178,524 0.989,525 0.759,526 0.984,527 0.919,528 0.985,529 1.041,530 0.973,531 0.968,532 0.951,533 0.936,534 0.948,535 1.163,536 0.939,537 1.005,538 1.003,539 0.96,540 0.997,541 1.048,542 0.976,543 1.013,544 0.99,545 0.988,546 0.989,547 1.314,548 0.986,549 5,550 0.118,551 2.667,552 1.361,553 1.267,554 0.542,555 0.5,556 0.337,557 0.217,558 0.167,559 40868,560 82856,561 2.093,562 52.9,563 27,564 13,565 2,568 2,569 2,572 1.794,573 2.033,574 4.487,575 -0.872,582 108.725,583 1.25,584 3.127,585 4.601,586 5.497,587 5.768,588 5.883,589 3.972,590 5.114,591 5.321,592 4.718,593 3869.11,594 9.332,595 85594.3,600 560.536,601 0.978,602 5.323,603 0.114,604 0.004,605 0.048,606 0.026,607 0.027,608 0.012,609 0.011,610 0.008,611 0.006,612 0.005,613 0.261,614 0.33,615 0.63,616 3.087,617 249.256,618 0.023,619 -0.061,620 0.06,621 -0.048,622 0.025,623 0.003,624 0.143,625 -0.095,626 -0.033,627 -0.097,628 0.141,629 -0.088,630 -0.012,631 0.02,632 0.06,633 0.027,634 0.021,635 0.049,636 -0.07,637 0.009,638 -0.024,639 0.008,640 -0.081,641 -0.001,642 0.072,644 0.05,645 0.003,646 0.005,647 0.021,648 0.045,649 0.03,650 0.056,651 0.033,652 -0.016,653 0.044,654 -0.027,655 -0.015,656 0.028,657 -0.008,658 0.012,659 0.013,660 0.035,661 -0.008,662 0.007,663 -0.008,664 -0.005,665 -0.004,666 1.741,667 5.105,668 0.439,669 84.563,670 0.988,671 1.122,672 6.026,673 36.31,674 0.641,675 3.807,676 4.025,677 4.234,678 4.454,679 4.625,680 4.745,681 4.905,682 5.069,683 5.118,684 5.231,685 13.537,686 0.594,687 558.82,688 3.807,689 5.293,690 6.098,691 6.927,692 7.757,693 8.604,694 9.454,695 10.314,696 11.178,697 12.05,714 2,715 7,718 1,720 5,722 16,739 2,741 87,743 19,744 2,745 44,747 90,748 36,749 14,750 6,751 6,756 4,757 6,763 1,770 14,772 19,773 17,777 3,782 1,784 4,786 1,792 1,793 46,794 5,796 5,808 0.5,809 5,828 2,829 2,832 2,846 1,849 4,859 2,864 1,868 41,876 16,878 3,893 5.7,896 1,898 4,901 20.167,902 15.5,903 9.5,904 6.132,907 3.691,908 1.438,909 0.95,910 13.571,911 12.118,912 4.025,913 4.508,914 5.028,915 5.596,916 6.128,917 6.525,918 6.992,919 7.472,920 7.774,921 8.157,922 0.938,923 52,924 15.262,926 6.209,927 0.026,929 7.508,931 30.262,933 24.434,936 2.008,937 82.333,941 541.471,942 196.697,945 67.652,948 196.697,949 609.123,951 8.825,952 46.726,953 104.239,954 32.336,955 61.938,956 33.827,957 517.928,959 541.471,960 196.697,961 67.652,964 517.928,965 91.194,968 55.551,969 103.241,970 37.905,972 541.471,973 67.652,974 196.697,977 541.471,978 83.633,979 113.064,981 67.652,982 541.471,983 67.652,984 196.697,986 0.546,987 0.3,988 0.157,989 0.08,990 20,991 8,992 0.222,993 20,994 2,995 1.222,996 5.711,997 346.431,998 0.222,999 18,1000 217.66,1005 31.125,1006 17.876,1007 10.832,1008 1.915,1009 67.652,1010 14.145,1013 6.06,1015 4.48,1018 805.82,1019 55,1024 12.105,1026 9.176,1028 -0.075,1031 85.959,1032 97.597,1034 0.194,1035 0.485,1036 0.714,1037 0.853,1038 0.895,1039 0.913,1040 5.215,1041 1.701,1042 6.004,1043 4.273,1044 4.71,1045 5.196,1046 2.797,1047 6.701,1048 4.677,1049 6.349,1050 1.536,1051 7.477,1052 3.926,1053 3.892,1054 4.796,1055 2.243,1056 7.357,1057 3.836,1058 7.605,1059 1.533,1060 9.057,1061 3.777,1062 6.172,1063 7.304,1064 4.001,1065 10.489,1066 6.105,1067 8.904,1068 1.515,1069 10.707,1070 3.71,1071 6.312,1072 7.887,1073 4.269,1074 12.102,1075 6.216,1076 10.246,1077 1.417,1078 12.407,1079 3.379,1080 7.926,1081 9.79,1082 5.546,1083 14.683,1084 7.827,1085 11.618,1086 1.327,1087 14.141,1088 3.048,1089 8.555,1090 10.84,1091 6.158,1092 16.676,1093 8.43,1094 13.014,1095 1.19,1096 15.9,1097 2.807,1098 9.876,1099 12.498,1100 7.229,1101 19.066,1102 9.747,1103 3.105,1104 1.015,1105 17.677,1106 2.356,1107 10.754,1108 13.773,1109 7.992,1110 21.218,1111 10.607,1112 2.903,1113 10.028,1114 19.468,1115 2.315,1116 11.946,1117 15.326,1118 8.97,1119 23.537,1120 11.794,1121 2.535,1122 9.235,1123 21.268,1124 4.47,1125 12.947,1126 16.71,1127 9.802,1128 25.759,1129 12.782,1130 2.382,1131 8.114,1132 23.076,1133 3.946,1134 14.086,1135 18.22,1136 10.736,1137 28.054,1138 13.917,1139 2.208,1140 6.641,1141 24.89,1142 3.303,1143 15.145,1144 19.655,1145 11.599,1146 30.308,1147 14.968,1148 1.964,1149 6.089,1150 26.709,1151 2.909,1152 16.265,1153 21.149,1154 12.513,1155 32.595,1156 16.084,1157 1.862,1158 4.343,1159 28.532,1160 2.826,1161 17.353,1162 22.61,1163 13.391,1164 34.866,1165 17.166,1166 39057,1167 56567,1168 30.276,1169 55.785,1170 62.638,1171 64.091,1172 63.158,1173 62.217,1174 62.255,1175 77.736,1176 10.664,1177 160.455,1178 61.242,1179 5.505,1180 5.682,1181 6.404,1182 5.143,1183 5.105,1184 7.47,1185 4.174,1186 16.729,1187 5.091,1188 13.803,1189 1.424,1190 1.457,1191 1.435,1192 1.414,1193 1.415,1194 1.767,1195 0.242,1196 3.647,1197 1.392,1198 4.137,1199 4.143,1200 4.103,1201 4.05,1202 7.432,1203 4.06,1204 3.905,1205 3.917,1206 3.861,1207 3.814,1208 5.15,1209 3.821,1210 3.852,1211 3.904,1212 3.716,1213 3.748,1214 4.972,1215 3.732,1216 3.765,1217 3.821,1218 3.634,1219 3.643,1220 4.514,1221 3.628,1222 3.695,1223 3.744,1224 3.553,1225 3.556,1226 4.471,1227 3.546,1228 3.621,1229 3.673,1230 3.479,1231 3.479,1232 4.381,1233 3.474,1234 3.536,1235 3.594,1236 3.398,1237 3.4,1238 4.263,1239 3.386,1240 3.416,1241 3.464,1242 3.277,1243 3.254,1244 4.208,1245 3.252,1246 0.103,1247 0.084,1248 0.146,1249 0.093,1250 0.071,1251 4.54,1252 0.102,1253 3.682,1254 0.056,1255 6.412,1256 0.228,1257 4.099,1258 0.07,1259 3.105,1260 4.47,1261 2.443,1262 10.028,1263 3.091,1264 1.955,1265 1.935,1266 2.064,1267 2.031,1268 1.399,1269 2.041,1270 1.875,1271 1.864,1272 2.058,1273 1.975,1274 1.335,1275 2.006,1276 1.837,1277 1.786,1278 2.027,1279 1.963,1280 1.297,1281 1.969,1282 1.782,1283 1.725,1284 1.957,1285 1.936,1286 1.196,1287 1.96,1288 1.689,1289 1.634,1290 1.929,1291 1.856,1292 1.096,1293 1.88,1294 1.583,1295 1.532,1296 1.83,1297 1.774,1298 1.056,1299 1.792,1300 1.529,1301 1.467,1302 1.786,1303 1.701,1304 1.017,1305 1.736,1306 1.396,1307 1.333,1308 1.686,1309 1.586,1310 0.914,1311 1.622,1312 4.489,1314 5.733,1315 3.045,1316 7.152,1317 5.352,1318 8.668,1319 7.413,1320 10.247,1322 2.244,1328 15.919,1330 16.363,1340 51.69,1341 108.725,1342 272.022,1343 400.316,1344 478.271,1345 501.781,1346 511.781,1347 85.062,1348 8.427,1349 57.9,1350 57.9,1351 22,1352 12.595,1353 4.322,1354 3.585,1355 77.445,1356 335,1357 395,1358 0.105,1359 317.228,1360 566.77,1361 765.797,1362 77348,1364 28.539,1365 0.696,1366 0.603,1367 28.539,1368 24.706,1369 20.225,1370 0.46,1371 0.355,1372 15.466,1373 19.65,1374 15.132,1375 12.658,1376 20.225,1377 15.608,1378 16.583,1379 0.302,1380 0.197,1381 16.583,1382 10.856,1383 13.316,1384 0.196,1385 0.109,1386 13.316,1387 7.442,1388 10.645,1389 0.125,1390 0.059,1391 10.645,1392 5.056,1393 8.129,1394 0.08,1395 0.033,1396 8.129,1397 3.297,1398 0.183,1399 125.467,1400 0.182,1401 39.293,1402 0.249,1403 198,1404 530.678,1405 215.382,1406 498.168,1407 683.19,1408 472,1409 222,1410 497.273,1411 238.722,1412 497.76,1413 727.43,1414 470,1415 5.569}
{0 CHEMBL1834808,1 1.265,2 24.116,3 11.312,4 127.97,5 172.224,6 6.353,7 0.348,8 4.582,9 4.698,10 4.005,11 4.095,12 5.523,13 4.044,14 5.178,15 5.363,16 4.293,17 4.474,18 6.077,19 4.383,20 5.423,21 5.674,22 4.292,23 4.582,24 6.215,25 4.447,26 5.436,27 5.685,28 4.255,29 4.57,30 6.236,31 4.432,32 5.424,33 5.681,34 4.187,35 4.543,36 6.203,37 4.391,38 5.395,39 5.648,40 4.178,41 4.51,42 6.191,43 4.363,44 5.376,45 5.637,46 4.152,47 4.47,48 6.171,49 4.325,50 5.332,51 5.588,52 4.109,53 4.425,54 6.154,55 4.277,56 0.066,57 1.18,58 22.403,59 10.085,60 10.696,61 13.276,62 0.52,63 1.927,64 41.525,65 16.514,66 43.37,67 22.329,68 0.532,69 2.335,70 52.409,71 20.249,72 51.394,73 28.272,74 0.497,75 2.337,76 53.298,77 20.187,78 54.794,79 28.091,80 0.603,81 2.296,82 52.592,83 19.918,84 55.601,85 27.9,86 0.568,87 2.229,88 51.177,89 19.301,90 54.527,91 26.993,92 0.578,93 2.161,94 50.257,95 18.712,96 56.056,97 26.242,98 0.64,99 2.07,100 48.177,101 17.926,102 57.574,103 25.148,104 34,105 58,106 0.188,107 0.442,108 0.656,109 0.784,110 0.84,111 0.867,112 3.787,113 1.075,114 -7.91,115 -7.67,116 -7.07,121 39.8,122 1,123 16,126 1,127 1,128 1,137 2,144 6,145 3,146 3,154 2,160 1,176 25,179 2,180 9,187 24,191 1,192 13,200 23,206 11,214 21,218 1,219 9,227 20,231 1,232 9,239 20,243 1,244 8,251 20,255 2,256 6,264 18,268 2,269 8,277 16,281 5183,282 29.949,283 29.949,284 29.949,285 29.949,286 29.949,287 27.771,288 23.068,289 19.025,290 30.379,291 22.75,292 22.75,293 22.75,294 22.75,295 22.75,296 19.161,297 20.086,298 9.132,299 23.308,300 5.274,301 3.567,302 2.123,303 1.267,304 0.887,305 0.704,306 4.486,313 2223,314 5.292,317 253.478,318 288.238,321 446.518,325 3.788,326 34.063,329 0.5,330 0.5,331 0.5,332 0.8,333 1,334 0.5,335 0.5,336 0.61,337 92,338 1037,339 4.62,340 3.682,341 6.616,342 4.169,343 3.18,344 4.573,345 2.443,346 10.658,347 3.149,348 4.308,349 3.325,350 6.255,351 3.906,352 2.945,353 3.963,354 1.392,355 9.446,356 2.832,357 3.906,358 3.244,359 5.952,360 3.559,361 2.585,362 3.356,363 0.86,364 8.411,365 2.505,366 3.661,367 2.749,368 5.294,369 3.361,370 2.386,371 2.925,372 0.532,373 6.755,374 2.307,375 3.567,376 2.531,377 5.2,378 3.233,379 2.241,380 2.826,381 0.286,382 6.199,383 2.219,384 3.417,385 2.24,386 5.034,387 2.984,388 2.025,389 2.77,391 6.09,392 1.963,393 3.236,394 2.214,395 4.426,396 2.964,397 1.964,398 2.309,400 4.29,401 1.932,402 2.888,403 1.991,404 4.243,405 2.86,406 1.862,407 2.029,409 3.926,410 1.858,411 2.869,412 1.922,413 3.965,414 2.697,415 1.701,416 1.885,418 3.787,419 1.693,420 2.796,421 1.901,422 3.9,423 2.499,424 1.534,425 1.868,427 3.711,428 1.489,429 2.773,430 1.788,431 3.86,432 2.479,433 1.515,434 1.787,436 3.381,437 1.444,438 2.533,439 1.778,440 3.703,441 2.409,442 1.418,443 1.533,445 3.092,446 1.397,447 2.479,448 1.615,449 3.562,450 2.311,451 1.327,452 1.467,454 2.848,455 1.3,456 2.314,457 1.318,458 3.434,459 2.192,460 1.191,461 1.275,463 2.488,464 1.19,465 2.258,466 1.292,467 3.427,468 2.022,469 1.027,470 1.194,472 2.335,473 1.021,474 20.5,475 0.477,476 0.585,477 0.014,478 43.75,479 1.017,480 18,481 0.419,482 25.75,483 0.599,484 49.839,485 1.159,486 49.7,487 0.534,488 31.803,489 0.74,490 7.578,491 0.176,492 13.595,493 0.316,494 0.065,496 0.22,501 0.805,502 1.314,503 0.941,504 1.287,505 0.643,506 1.153,507 0.983,508 1.15,509 1.032,510 1.142,511 0.681,512 1.1,513 0.822,514 0.984,515 0.885,516 0.978,517 0.801,518 0.945,519 1.026,520 1.011,521 0.971,522 1.004,523 1.104,524 0.983,525 0.928,526 0.974,527 0.968,528 0.976,529 1.068,530 0.977,531 0.936,532 1.023,533 0.971,534 1.02,535 1.087,536 1.003,537 0.945,538 0.958,539 0.917,540 0.953,541 0.953,542 0.934,543 0.881,544 1.013,545 0.945,546 1.01,547 1.183,548 0.989,549 5.5,550 0.154,551 2.889,552 1.701,553 1.623,554 0.851,555 0.581,556 0.384,557 0.335,558 0.247,559 44250,560 87835,561 2.074,562 53.8,563 31,564 13,565 2,568 2,569 2,572 1.806,573 2,574 4.462,575 -0.855,582 117.689,583 1.265,584 2.972,585 4.416,586 5.272,587 5.652,588 5.835,589 3.955,590 5.287,591 5.388,592 4.71,593 4252.73,594 9.476,595 95248.9,600 608.142,601 1.081,602 5.384,603 0.12,604 0.004,605 0.05,606 0.03,607 0.03,608 0.017,609 0.012,610 0.008,611 0.007,612 0.006,613 0.283,614 0.17,615 0.63,616 3.124,617 263.247,618 0.02,619 -0.085,620 0.064,621 -0.069,622 0.039,623 -0.006,624 0.095,625 -0.056,626 -0.013,627 -0.057,628 0.136,629 -0.051,630 0.057,631 0.024,632 0.092,633 0.032,634 0.062,635 0.062,636 -0.043,637 -0.009,638 0.02,639 -0.004,640 -0.037,641 0.014,642 0.011,643 0.017,644 0.015,645 0.017,646 -0.019,647 0.017,648 0.026,649 -0.029,650 0.015,651 -0.026,652 -0.011,653 -0.009,654 0.037,655 0.022,656 0.071,657 0.028,658 0.057,659 0.051,660 0.107,661 -0.028,662 0.044,663 -0.025,664 0.03,665 -0.003,666 1.756,667 5.191,668 0.419,669 89.391,670 0.99,671 1.125,672 6.685,673 44.687,674 0.632,675 3.85,676 4.078,677 4.304,678 4.543,679 4.727,680 4.875,681 5.037,682 5.187,683 5.278,684 5.407,685 13.454,686 0.586,687 590.87,688 3.85,689 5.342,690 6.155,691 6.993,692 7.834,693 8.692,694 9.553,695 10.426,696 11.301,697 12.185,714 2,715 6,718 1,720 6,722 16,739 3,741 93,743 18,744 2,745 46,747 96,748 37,749 14,750 7,751 5,756 4,757 6,763 1,770 16,772 17,773 20,777 2,782 1,784 2,786 1,792 1,793 50,794 6,796 6,808 0.5,809 6,828 2,829 2,832 2,846 1,849 2,859 2,864 2,868 43,876 18,878 4,893 6.5,896 1,898 5,901 21.5,902 16.917,903 10.028,904 6.597,907 3.41,908 1.401,909 0.941,910 14.66,911 11.925,912 4.043,913 4.53,914 5.071,915 5.659,916 6.201,917 6.632,918 7.099,919 7.572,920 7.921,921 8.31,922 0.938,923 57,924 16.024,926 6.515,927 0.026,929 7.512,931 31.79,933 25.672,936 2.012,937 86.5,941 588.555,942 189.464,945 78.652,948 189.464,949 667.207,951 19.708,952 51.795,953 75.81,954 32.336,955 78.181,956 33.827,957 565.013,959 588.555,960 189.464,961 78.652,964 565.013,965 102.194,968 60.62,969 109.891,970 18.952,972 588.555,973 78.652,974 189.464,977 588.555,978 93.946,979 95.518,981 78.652,982 588.555,983 78.652,984 189.464,986 0.546,987 0.306,988 0.163,989 0.085,990 21,991 9,992 0.229,993 22,994 2,995 1.222,996 5.763,997 376.971,998 0.222,999 18,1000 231.329,1005 33.299,1006 18.932,1007 11.121,1008 1.688,1009 78.652,1010 11.926,1013 6.159,1015 4.942,1018 856.671,1019 56,1024 12.191,1026 4.714,1028 -0.089,1031 92.054,1032 104.636,1034 0.194,1035 0.454,1036 0.675,1037 0.806,1038 0.864,1039 0.892,1040 5.242,1041 1.862,1042 6.071,1043 4.29,1044 4.762,1045 5.218,1046 2.831,1047 6.795,1048 4.717,1049 6.377,1050 1.701,1051 7.562,1052 3.926,1053 4.007,1054 4.902,1055 2.243,1056 7.526,1057 3.935,1058 7.642,1059 1.534,1060 9.161,1061 3.787,1062 6.248,1063 7.348,1064 4.013,1065 10.667,1066 6.161,1067 8.952,1068 1.515,1069 10.832,1070 3.711,1071 6.447,1072 8.008,1073 4.269,1074 12.343,1075 6.326,1076 10.308,1077 1.418,1078 12.553,1079 3.381,1080 8.035,1081 9.876,1082 5.548,1083 14.955,1084 7.908,1085 11.694,1086 1.327,1087 14.308,1088 3.092,1089 8.715,1090 10.985,1091 6.158,1092 17.009,1093 8.557,1094 13.105,1095 1.191,1096 16.088,1097 2.848,1098 10.025,1099 12.63,1100 7.229,1101 19.444,1102 9.863,1103 3.18,1104 1.027,1105 17.887,1106 2.488,1107 10.945,1108 13.951,1109 7.992,1110 21.658,1111 10.759,1112 2.945,1113 10.658,1114 19.699,1115 2.335,1116 12.141,1117 15.508,1118 8.97,1119 24.03,1120 11.949,1121 2.585,1122 9.446,1123 21.522,1124 4.573,1125 13.176,1126 16.927,1127 9.802,1128 26.315,1129 12.967,1130 2.386,1131 8.411,1132 23.354,1133 3.963,1134 14.329,1135 18.451,1136 10.736,1137 28.668,1138 14.112,1139 2.241,1140 6.755,1141 25.192,1142 3.356,1143 15.418,1144 19.918,1145 11.599,1146 30.986,1147 15.189,1148 2.025,1149 6.199,1150 27.036,1151 2.925,1152 16.556,1153 21.43,1154 12.513,1155 33.334,1156 16.32,1157 1.964,1158 6.09,1159 28.884,1160 2.826,1161 17.671,1162 22.919,1163 13.391,1164 35.669,1165 17.425,1166 42528,1167 61202,1168 31.375,1169 58.762,1170 65.19,1171 67.314,1172 66.677,1173 65.039,1174 65.125,1175 79.71,1176 11.024,1177 170.269,1178 63.621,1179 5.586,1180 5.682,1181 6.608,1182 5.214,1183 5.18,1184 7.573,1185 4.174,1186 17.647,1187 5.149,1188 17.106,1189 1.417,1190 1.463,1191 1.449,1192 1.414,1193 1.416,1194 1.733,1195 0.24,1196 3.701,1197 1.383,1198 4.142,1199 4.145,1200 4.113,1201 4.05,1202 7.432,1203 4.063,1204 3.908,1205 3.919,1206 3.865,1207 3.814,1208 5.163,1209 3.822,1210 3.854,1211 3.908,1212 3.709,1213 3.743,1214 4.977,1215 3.725,1216 3.767,1217 3.826,1218 3.626,1219 3.64,1220 4.609,1221 3.622,1222 3.698,1223 3.748,1224 3.555,1225 3.561,1226 4.458,1227 3.55,1228 3.624,1229 3.677,1230 3.482,1231 3.48,1232 4.419,1233 3.475,1234 3.542,1235 3.604,1236 3.399,1237 3.398,1238 4.302,1239 3.383,1240 3.43,1241 3.477,1242 3.288,1243 3.26,1244 4.202,1245 3.258,1246 0.1,1247 0.08,1248 0.144,1249 0.091,1250 0.069,1251 4.62,1252 0.099,1253 3.682,1254 0.053,1255 6.616,1256 0.232,1257 4.169,1258 0.068,1259 3.18,1260 4.573,1261 2.443,1262 10.658,1263 3.149,1264 1.95,1265 1.935,1266 2.073,1267 2.036,1268 1.412,1269 2.037,1270 1.875,1271 1.864,1272 2.048,1273 1.983,1274 1.391,1275 2.016,1276 1.84,1277 1.785,1278 2.036,1279 1.963,1280 1.298,1281 1.979,1282 1.785,1283 1.726,1284 1.956,1285 1.946,1286 1.226,1287 1.96,1288 1.694,1289 1.638,1290 1.942,1291 1.861,1292 1.158,1293 1.887,1294 1.589,1295 1.535,1296 1.851,1297 1.788,1298 1.096,1299 1.807,1300 1.535,1301 1.471,1302 1.784,1303 1.718,1304 1.018,1305 1.749,1306 1.409,1307 1.344,1308 1.702,1309 1.604,1310 0.944,1311 1.638,1312 4.533,1314 5.784,1315 3.045,1316 7.215,1317 5.352,1318 8.747,1319 7.424,1320 10.348,1322 3.917,1328 18.989,1330 22.062,1340 54.459,1341 117.689,1342 276.38,1343 410.677,1344 490.309,1345 525.612,1346 542.632,1347 96.521,1348 8.515,1349 67.13,1350 67.13,1351 22,1352 12.722,1353 4.248,1354 3.459,1355 83.426,1356 347,1357 434,1358 0.11,1359 333.744,1360 595.5,1361 806.096,1362 82728,1364 30.116,1365 0.7,1366 0.612,1367 30.116,1368 26.296,1369 21.173,1370 0.46,1371 0.358,1372 16.303,1373 20.45,1374 15.928,1375 13.347,1376 21.173,1377 16.487,1378 17.313,1379 0.299,1380 0.199,1381 17.313,1382 11.553,1383 14.045,1384 0.192,1385 0.11,1386 14.045,1387 8.035,1388 11.369,1389 0.122,1390 0.06,1391 11.369,1392 5.543,1393 8.735,1394 0.078,1395 0.033,1396 8.735,1397 3.696,1398 0.19,1399 132.274,1400 0.179,1401 40.534,1402 0.263,1403 208,1404 576.413,1405 228.26,1406 533.893,1407 730.24,1408 506,1409 235,1410 529.818,1411 255.154,1412 529.862,1413 776.23,1414 498,1415 5.745}
{0 CHEMBL1834809,1 1.242,2 24.049,3 11.329,4 128.342,5 165.761,6 6.302,7 0.364,8 4.534,9 4.653,10 3.952,11 4.067,12 5.459,13 4.009,14 5.131,15 5.317,16 4.239,17 4.45,18 6.022,19 4.349,20 5.394,21 5.654,22 4.198,23 4.547,24 6.155,25 4.398,26 5.385,27 5.644,28 4.12,29 4.512,30 6.149,31 4.354,32 5.34,33 5.61,34 4.061,35 4.46,36 6.089,37 4.29,38 5.305,39 5.57,40 4.059,41 4.414,42 6.081,43 4.258,44 5.259,45 5.524,46 4.011,47 4.373,48 6.033,49 4.218,50 5.216,51 5.479,52 3.954,53 4.318,54 6.017,55 4.161,56 0.074,57 1.129,58 21.413,59 9.705,60 9.723,61 12.869,62 0.474,63 1.868,64 39.445,65 16.092,66 40.454,67 21.858,68 0.41,69 2.283,70 50.489,71 19.867,72 46.553,73 27.788,74 0.47,75 2.234,76 50.256,77 19.4,78 50.49,79 27.092,80 0.481,81 2.142,82 47.713,83 18.719,84 47.957,85 26.405,86 0.52,87 2.044,88 46.472,89 17.76,90 49.656,91 24.895,92 0.383,93 1.96,94 44.2,95 17.036,96 45.604,97 23.863,98 0.495,99 1.864,100 42.584,101 16.179,102 50.024,103 22.654,104 26,105 55,106 0.186,107 0.442,108 0.639,109 0.78,110 0.84,111 0.868,112 3.74,113 1.088,114 -8.24,115 -7.98,116 -7.35,121 40.4,122 1,123 16,127 1,128 1,137 2,144 7,145 3,146 2,154 2,160 1,176 26,179 2,180 9,187 26,192 11,200 26,206 8,214 23,218 1,219 7,227 22,231 1,232 8,239 21,244 8,251 20,255 1,256 8,264 19,269 7,277 17,281 4609,282 28.578,283 28.578,284 28.578,285 28.578,286 28.578,287 26.394,288 18.754,289 18.288,290 28.837,291 21.829,292 21.829,293 21.829,294 21.829,295 21.829,296 18.335,297 14.128,298 8.88,299 22.21,300 5.234,301 3.529,302 2.212,303 1.271,304 0.874,305 0.683,306 4.441,313 2123,314 5.148,317 243.589,318 276.555,321 428.544,325 3.904,326 29.697,329 0.5,330 0.5,331 0.5,332 0.8,333 1,334 0.5,335 0.5,336 0.61,337 87,338 986,339 4.54,340 3.682,341 6.412,342 4.099,343 3.105,344 4.47,345 2.443,346 10.028,347 3.091,348 4.282,349 3.318,350 6.187,351 3.866,352 2.903,353 3.946,354 1.392,355 9.235,356 2.796,357 3.863,358 3.073,359 5.86,360 3.519,361 2.535,362 3.303,363 0.532,364 8.114,365 2.482,366 3.66,367 2.692,368 5.253,369 3.359,370 2.382,371 2.909,372 0.286,373 6.641,374 2.304,375 3.551,376 2.373,377 5.034,378 3.204,379 2.208,380 2.826,382 6.089,383 2.195,384 3.236,385 2.214,386 4.434,387 2.964,388 1.964,389 2.309,391 4.343,392 1.963,393 3.032,394 1.992,395 4.409,396 2.86,397 1.862,398 2.297,400 4.273,401 1.858,402 2.888,403 1.922,404 4.24,405 2.697,406 1.701,407 2.029,409 3.926,410 1.693,411 2.869,412 1.901,413 3.965,414 2.535,415 1.536,416 1.882,418 3.777,419 1.534,420 2.796,421 1.792,422 3.862,423 2.499,424 1.533,425 1.868,427 3.71,428 1.489,429 2.771,430 1.786,431 3.709,432 2.479,433 1.515,434 1.787,436 3.379,437 1.444,438 2.528,439 1.615,440 3.59,441 2.408,442 1.417,443 1.527,445 3.048,446 1.396,447 2.474,448 1.529,449 3.441,450 2.311,451 1.327,452 1.46,454 2.807,455 1.299,456 2.303,457 1.318,458 3.432,459 2.191,460 1.19,461 1.264,463 2.356,464 1.189,465 2.174,466 1.262,467 3.214,468 2.015,469 1.015,470 1.145,472 2.315,473 1.014,474 19.667,475 0.48,476 0.533,477 0.013,478 41.75,479 1.018,480 17.5,481 0.427,482 24.25,483 0.591,484 46.156,485 1.126,486 46.933,487 0.527,488 28.511,489 0.695,490 7.078,491 0.173,492 13.146,493 0.321,494 0.042,496 0.203,501 0.789,502 1.273,503 0.953,504 1.251,505 0.631,506 1.138,507 0.901,508 1.191,509 1.05,510 1.184,511 0.63,512 1.142,513 0.882,514 0.972,515 0.908,516 0.967,517 0.82,518 0.944,519 1.047,520 0.976,521 1,522 0.976,523 1.14,524 0.982,525 0.74,526 0.983,527 0.912,528 0.984,529 1.004,530 0.971,531 0.936,532 0.947,533 0.923,534 0.944,535 1.111,536 0.934,537 0.963,538 0.98,539 0.932,540 0.974,541 0.994,542 0.952,543 0.983,544 0.972,545 0.963,546 0.97,547 1.271,548 0.965,549 5,550 0.118,551 2.667,552 1.361,553 1.267,554 0.542,555 0.5,556 0.337,557 0.217,558 0.167,559 40868,560 79021,561 2.093,562 53.9,563 31,564 11,565 2,568 2,569 2,572 1.794,573 2.033,574 4.487,575 -0.872,582 110.535,583 1.242,584 2.947,585 4.264,586 5.205,587 5.602,588 5.793,589 3.972,590 5.114,591 5.321,592 4.718,593 3869.11,594 9.332,595 85594.3,600 576.34,601 0.978,602 5.323,603 0.114,604 0.004,605 0.048,606 0.026,607 0.027,608 0.012,609 0.011,610 0.008,611 0.006,612 0.005,613 0.261,614 0.33,615 0.63,616 3.087,617 249.256,618 0.025,619 -0.06,620 0.061,621 -0.048,622 0.036,623 0.004,624 0.144,625 -0.097,626 -0.032,627 -0.099,628 0.157,629 -0.088,630 -0.005,631 0.024,632 0.068,633 0.031,634 0.034,635 0.055,636 -0.061,637 0.013,638 -0.012,639 0.012,640 -0.064,641 0.007,642 0.075,644 0.053,645 0.004,646 0.019,647 0.023,648 0.051,649 0.032,650 0.063,651 0.035,652 0.006,653 0.049,654 -0.015,655 0.002,656 0.051,657 0.01,658 0.036,659 0.034,660 0.044,661 0.007,662 0.029,663 0.008,664 0.015,665 0.015,666 1.735,667 5.111,668 0.439,669 84.563,670 0.987,671 1.124,672 7.012,673 49.165,674 0.635,675 3.807,676 4.025,677 4.234,678 4.454,679 4.625,680 4.745,681 4.905,682 5.069,683 5.118,684 5.231,685 13.537,686 0.587,687 560.84,688 3.807,689 5.293,690 6.098,691 6.927,692 7.757,693 8.604,694 9.454,695 10.314,696 11.178,697 12.05,714 2,715 7,718 1,720 5,722 16,739 2,741 89,743 18,744 2,745 44,747 92,748 36,749 14,750 6,751 6,756 4,757 6,763 1,770 16,772 17,773 19,777 2,782 1,784 2,786 1,792 1,793 48,794 5,796 5,808 0.5,809 5,828 2,829 2,832 2,846 1,849 2,859 2,864 1,868 41,876 18,878 3,893 5.6,896 1,898 4,901 20.167,902 15.833,903 9.5,904 6.438,907 3.433,908 1.407,909 0.948,910 13.837,911 11.859,912 4.007,913 4.486,914 5.008,915 5.577,916 6.112,917 6.511,918 6.983,919 7.466,920 7.769,921 8.154,922 0.938,923 52,924 15.285,926 6.227,927 0.026,929 7.484,931 30.481,933 24.78,936 1.984,937 81.333,941 565.013,942 182.814,945 67.652,948 182.814,949 632.665,951 8.825,952 51.795,953 85.286,954 32.336,955 61.938,956 33.827,957 541.471,959 565.013,960 182.814,961 67.652,964 541.471,965 91.194,968 60.62,969 103.241,970 18.952,972 565.013,973 67.652,974 182.814,977 565.013,978 88.702,979 94.111,981 67.652,982 565.013,983 67.652,984 182.814,986 0.546,987 0.3,988 0.157,989 0.08,990 20,991 8,992 0.228,993 21,994 2,995 1.222,996 5.711,997 346.431,998 0.222,999 18,1000 219.66,1005 31.379,1006 18.08,1007 10.982,1008 1.921,1009 67.652,1010 14.161,1013 6.062,1015 4.491,1018 815.479,1019 54,1024 12.111,1026 4.721,1028 -0.068,1031 87.843,1032 100.012,1034 0.192,1035 0.455,1036 0.658,1037 0.804,1038 0.865,1039 0.895,1040 5.198,1041 1.701,1042 6.004,1043 4.273,1044 4.71,1045 5.173,1046 2.739,1047 6.701,1048 4.677,1049 6.326,1050 1.536,1051 7.477,1052 3.926,1053 3.892,1054 4.796,1055 2.243,1056 7.357,1057 3.836,1058 7.581,1059 1.533,1060 9.057,1061 3.777,1062 6.172,1063 7.282,1064 3.993,1065 10.489,1066 6.105,1067 8.881,1068 1.515,1069 10.707,1070 3.71,1071 6.312,1072 7.887,1073 4.269,1074 12.102,1075 6.216,1076 10.224,1077 1.417,1078 12.407,1079 3.379,1080 7.926,1081 9.778,1082 5.545,1083 14.683,1084 7.827,1085 11.599,1086 1.327,1087 14.141,1088 3.048,1089 8.555,1090 10.84,1091 6.158,1092 16.676,1093 8.43,1094 12.998,1095 1.19,1096 15.9,1097 2.807,1098 9.876,1099 12.493,1100 7.229,1101 19.066,1102 9.747,1103 3.105,1104 1.015,1105 17.677,1106 2.356,1107 10.754,1108 13.773,1109 7.992,1110 21.218,1111 10.607,1112 2.903,1113 10.028,1114 19.468,1115 2.315,1116 11.946,1117 15.325,1118 8.97,1119 23.537,1120 11.794,1121 2.535,1122 9.235,1123 21.268,1124 4.47,1125 12.947,1126 16.71,1127 9.802,1128 25.759,1129 12.782,1130 2.382,1131 8.114,1132 23.076,1133 3.946,1134 14.086,1135 18.219,1136 10.736,1137 28.054,1138 13.917,1139 2.208,1140 6.641,1141 24.89,1142 3.303,1143 15.145,1144 19.655,1145 11.599,1146 30.308,1147 14.968,1148 1.964,1149 6.089,1150 26.709,1151 2.909,1152 16.265,1153 21.148,1154 12.513,1155 32.595,1156 16.084,1157 1.862,1158 4.343,1159 28.532,1160 2.826,1161 17.353,1162 22.61,1163 13.391,1164 34.866,1165 17.166,1166 39057,1167 55477,1168 30.276,1169 56.546,1170 62.387,1171 64.093,1172 63.158,1173 62.217,1174 62.255,1175 76.648,1176 9.304,1177 160.455,1178 61.242,1179 5.506,1180 5.682,1181 6.404,1182 5.143,1183 5.105,1184 7.47,1185 4.174,1186 16.729,1187 5.091,1188 13.803,1189 1.418,1190 1.457,1191 1.435,1192 1.414,1193 1.415,1194 1.742,1195 0.211,1196 3.647,1197 1.392,1198 4.137,1199 4.143,1200 4.103,1201 4.05,1202 7.432,1203 4.06,1204 3.905,1205 3.919,1206 3.861,1207 3.814,1208 5.15,1209 3.821,1210 3.854,1211 3.907,1212 3.709,1213 3.743,1214 4.972,1215 3.725,1216 3.767,1217 3.826,1218 3.626,1219 3.64,1220 4.48,1221 3.622,1222 3.698,1223 3.748,1224 3.555,1225 3.561,1226 4.422,1227 3.55,1228 3.624,1229 3.677,1230 3.482,1231 3.48,1232 4.38,1233 3.475,1234 3.541,1235 3.604,1236 3.395,1237 3.398,1238 4.21,1239 3.383,1240 3.424,1241 3.475,1242 3.273,1243 3.26,1244 4.196,1245 3.255,1246 0.103,1247 0.084,1248 0.146,1249 0.093,1250 0.071,1251 4.54,1252 0.102,1253 3.682,1254 0.056,1255 6.412,1256 0.228,1257 4.099,1258 0.07,1259 3.105,1260 4.47,1261 2.443,1262 10.028,1263 3.091,1264 1.955,1265 1.935,1266 2.073,1267 2.031,1268 1.412,1269 2.041,1270 1.875,1271 1.864,1272 2.061,1273 1.983,1274 1.391,1275 2.016,1276 1.84,1277 1.785,1278 2.037,1279 1.963,1280 1.297,1281 1.979,1282 1.785,1283 1.726,1284 1.957,1285 1.946,1286 1.226,1287 1.96,1288 1.694,1289 1.638,1290 1.942,1291 1.861,1292 1.158,1293 1.887,1294 1.589,1295 1.535,1296 1.851,1297 1.786,1298 1.095,1299 1.806,1300 1.534,1301 1.47,1302 1.789,1303 1.713,1304 1.018,1305 1.746,1306 1.409,1307 1.344,1308 1.702,1309 1.6,1310 0.944,1311 1.636,1312 4.489,1314 5.733,1315 3.045,1316 7.152,1317 5.352,1318 8.668,1319 7.413,1320 10.247,1322 2.268,1328 19.296,1330 16.372,1340 52.217,1341 110.535,1342 262.254,1343 379.488,1344 463.263,1345 498.566,1346 515.585,1347 86.496,1348 8.427,1349 57.9,1350 57.9,1351 22,1352 12.595,1353 4.248,1354 3.459,1355 77.445,1356 335,1357 395,1358 0.105,1359 320.156,1360 569.41,1361 772.94,1362 77348,1364 28.539,1365 0.696,1366 0.609,1367 28.539,1368 24.965,1369 20.225,1370 0.46,1371 0.363,1372 15.816,1373 19.65,1374 15.485,1375 12.96,1376 20.225,1377 15.958,1378 16.583,1379 0.302,1380 0.204,1381 16.583,1382 11.209,1383 13.316,1384 0.196,1385 0.114,1386 13.316,1387 7.753,1388 10.645,1389 0.125,1390 0.063,1391 10.645,1392 5.315,1393 8.129,1394 0.08,1395 0.035,1396 8.129,1397 3.518,1398 0.183,1399 125.467,1400 0.182,1401 39.293,1402 0.249,1403 198,1404 520.678,1405 215.382,1406 487.557,1407 669.21,1408 462,1409 222,1410 488.273,1411 238.722,1412 488.09,1413 714.26,1414 461,1415 5.509}
{0 CHEMBL1834810,1 1.383,2 13.067,3 5.833,4 34.02,5 111.268,6 7.33,7 0.485,8 4.129,9 4.215,10 3.685,11 3.635,12 5.204,13 3.63,14 4.695,15 4.84,16 4.042,17 4.012,18 5.759,19 3.993,20 4.858,21 5.032,22 4.068,23 4.114,24 5.89,25 4.065,26 4.941,27 5.123,28 3.986,29 4.097,30 5.984,31 4.039,32 4.884,33 5.089,34 3.853,35 4.048,36 5.832,37 3.957,38 4.819,39 5.021,40 3.835,41 4.012,42 5.746,43 3.919,44 4.829,45 5.058,46 3.798,47 3.962,48 5.735,49 3.867,50 4.75,51 4.97,52 3.755,53 3.889,54 5.709,55 3.798,56 0.044,57 0.703,58 11.765,59 5.851,60 6.809,61 6.938,62 0.51,63 1.146,64 23.878,65 9.534,66 39.606,67 11.629,68 0.429,69 1.35,70 28.46,71 11.369,72 38.737,73 14.375,74 0.6,75 1.404,76 32.345,77 11.704,78 63.84,79 14.468,80 0.623,81 1.344,82 30.839,83 11.391,84 54.975,85 14.68,86 0.448,87 1.288,88 28.102,89 10.982,90 38.392,91 14.355,92 0.496,93 1.273,94 29.428,95 10.908,96 40.819,97 14.586,98 0.531,99 1.177,100 27.014,101 10.062,102 40.971,103 13.421,104 27,105 46,106 0.227,107 0.56,108 0.796,109 0.877,110 0.883,111 0.883,112 3.44,113 0.933,114 -4.59,115 -4.52,116 -4.25,121 42.9,122 2,123 3,124 1,126 1,127 1,128 1,144 6,145 3,146 3,154 2,160 1,176 12,179 2,180 9,187 11,191 1,192 15,200 10,206 11,214 8,218 1,219 7,227 9,231 1,232 7,239 10,243 1,244 6,251 10,255 2,256 4,264 9,268 2,269 6,277 6,281 1564,282 20.549,283 20.549,284 20.549,285 20.549,286 20.549,287 18.656,288 20.998,289 12.01,290 20.98,291 16.163,292 16.163,293 16.163,294 16.163,295 16.163,296 12.964,297 22.229,298 5.545,299 16.718,300 4.424,301 2.397,302 0.96,303 0.469,304 0.433,305 0.433,306 4.136,312 1,313 849,314 4,317 144.397,318 164.52,321 255.753,325 2.271,326 30.476,329 1,330 1,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.88,337 66,338 392,339 4.62,340 3.784,341 6.616,342 4.169,343 3.18,344 4.573,345 2.443,346 10.658,347 3.149,348 4.308,349 3.325,350 6.255,351 3.906,352 2.945,353 3.963,354 1.392,355 9.446,356 2.832,357 3.907,358 3.244,359 5.952,360 3.689,361 2.699,362 3.356,363 0.86,364 8.411,365 2.658,366 3.89,367 2.749,368 5.861,369 3.558,370 2.584,371 3.059,372 0.532,373 7.859,374 2.504,375 3.57,376 2.532,377 5.293,378 3.24,379 2.25,380 2.922,381 0.286,382 6.754,383 2.225,384 3.417,385 2.24,386 5.2,387 2.984,388 2.025,389 2.77,391 6.199,392 1.932,393 2.888,394 2.023,395 4.426,396 2.573,397 1.633,398 2.029,400 4.29,401 1.523,402 2.779,403 1.991,404 4.243,405 2.479,406 1.534,407 1.886,409 3.799,410 1.442,411 2.681,412 1.848,413 4.038,414 2.349,415 1.361,416 1.679,418 3.6,419 1.338,420 2.41,421 1.777,422 3.882,423 2.182,424 1.176,425 1.353,427 2.742,428 1.172,429 2.25,430 1.292,431 3.434,432 2.017,433 1.019,434 1.174,436 2.351,437 1.016,438 2.171,439 1.226,440 3.42,441 1.86,442 0.913,443 1.133,445 2.256,446 0.856,447 1.636,448 0.928,449 3.037,450 1.347,451 0.416,452 0.482,454 0.998,455 0.382,456 1.559,457 0.731,458 2.877,459 1.331,460 0.396,461 0.445,463 0.752,464 0.366,465 1.486,466 0.573,467 2.802,468 1.175,469 0.244,470 0.287,472 0.424,473 0.225,474 14,475 0.467,476 0.674,477 0.022,478 36.25,479 1.208,480 17,481 0.567,482 19.25,483 0.642,484 27.201,485 0.907,486 33.4,487 0.596,488 27.028,489 0.901,490 7.009,491 0.234,492 7.575,493 0.252,494 0.131,496 0.357,501 0.812,502 1.26,503 0.768,504 1.222,505 0.662,506 1.025,507 1.036,508 0.927,509 0.848,510 0.907,511 0.708,512 0.848,513 0.93,514 1.076,515 0.898,516 1.061,517 0.874,518 0.987,519 1.384,520 1.003,521 1.146,522 0.996,523 1.661,524 1.014,525 1.074,526 0.932,527 1.072,528 0.942,529 1.247,530 0.996,531 0.839,532 1.101,533 1.004,534 1.106,535 0.82,536 1.094,537 0.816,538 0.938,539 0.868,540 0.937,541 0.623,542 0.918,543 0.752,544 0.985,545 0.874,546 0.986,547 0.895,548 0.962,549 6,550 0.18,551 3.556,552 1.826,553 1.623,554 0.851,555 0.541,556 0.415,557 0.31,558 0.277,559 12797,560 33731,561 2.087,562 46.4,563 10,564 11,565 2,568 1,569 2,572 1.725,573 1.957,574 3.651,575 -0.792,582 77.452,583 1.383,584 3.411,585 4.847,586 5.338,587 5.374,588 5.374,589 3.14,590 4.707,591 4.872,592 3.851,593 1675.34,594 8.487,595 24076.5,600 325.212,601 1.4,602 4.839,603 0.182,604 0.007,605 0.077,606 0.04,607 0.04,608 0.024,609 0.015,610 0.012,611 0.01,612 0.009,613 0.416,614 0.17,615 1,616 1.793,617 156.55,618 -0.017,619 -0.131,620 0.075,621 -0.11,622 -0.033,623 -0.016,624 0.046,625 0.116,626 0.104,627 0.119,628 0.09,629 0.123,630 0.005,631 -0.053,632 0.047,633 -0.043,634 0.029,635 0.002,636 -0.21,637 -0.012,638 -0.148,639 -0.017,640 -0.234,641 -0.06,642 -0.085,643 0.054,644 -0.093,645 0.043,646 -0.139,647 -0.015,648 0.007,649 -0.101,650 -0.056,651 -0.102,652 -0.032,653 -0.095,654 0.037,655 0.034,656 0.107,657 0.045,658 0.079,659 0.084,660 0.124,661 -0.008,662 0.1,663 -0.002,664 0.042,665 0.036,666 1.797,667 4.797,668 0.6,669 36.476,670 1.008,671 1.119,672 3.365,673 11.323,674 0.654,675 3.526,676 3.85,677 4.143,678 4.394,679 4.595,680 4.762,681 4.942,682 5.112,683 5.209,684 5.352,685 7.651,686 0.627,687 410.5,688 3.526,689 5.069,690 5.927,691 6.806,692 7.683,693 8.57,694 9.457,695 10.35,696 11.243,697 12.141,714 2,715 6,718 1,720 6,722 16,739 3,741 56,743 17,744 2,745 33,747 59,748 24,749 14,750 7,751 5,756 4,757 6,763 2,770 3,772 15,773 9,774 1,777 1,782 1,786 1,792 1,793 26,794 6,796 6,808 0.5,809 6,828 2,829 2,832 2,846 1,859 2,864 3,868 30,876 5,878 4,880 1,893 10.7,896 1,898 5,901 15.333,902 11.083,903 6.722,904 3.611,907 3.242,908 1.407,909 0.958,910 6.421,911 11.204,912 3.761,913 4.366,914 4.986,915 5.598,916 6.159,917 6.604,918 7.08,919 7.561,920 7.914,921 8.306,922 0.889,923 46,924 11.116,926 4.682,927 0.026,929 7.711,931 21.334,933 17.375,936 2.211,937 66.333,941 306.049,942 146.388,945 78.652,948 146.388,949 384.7,951 28.533,952 18.846,953 56.857,954 32.336,955 78.181,956 33.827,957 282.506,959 306.049,960 146.388,961 78.652,964 282.506,965 102.194,968 36.497,969 109.891,972 306.049,973 78.652,974 146.388,977 306.049,978 60.997,979 85.391,981 78.652,982 306.049,983 78.652,984 146.388,986 0.577,987 0.348,988 0.179,989 0.089,990 22,991 10,992 0.153,993 9,994 2,995 1.222,996 4.222,997 262.617,998 0.222,999 18,1000 147.207,1005 20.916,1006 9.21,1007 4.563,1008 1.672,1009 78.652,1010 11.819,1013 6.096,1015 4.9,1018 531.088,1019 42,1024 11.797,1028 -0.131,1031 56.451,1032 62.654,1034 0.238,1035 0.587,1036 0.835,1037 0.919,1038 0.925,1039 0.925,1040 5.004,1041 1.534,1042 5.911,1043 4.29,1044 4.533,1045 5.053,1046 2.831,1047 6.725,1048 4.476,1049 6.207,1050 1.361,1051 7.474,1052 3.799,1053 4.111,1054 4.945,1055 2.243,1056 7.618,1057 4.046,1058 7.521,1059 1.176,1060 9.134,1061 3.6,1062 6.133,1063 7.292,1064 4.013,1065 10.71,1066 6.036,1067 8.876,1068 1.019,1069 10.851,1070 2.742,1071 6.553,1072 8.038,1073 4.269,1074 12.42,1075 6.443,1076 10.264,1077 0.913,1078 12.603,1079 2.351,1080 8.017,1081 9.868,1082 5.548,1083 15.014,1084 7.887,1085 11.676,1086 0.416,1087 14.38,1088 2.256,1089 8.813,1090 11.003,1091 6.158,1092 17.066,1093 8.668,1094 13.105,1095 0.396,1096 16.173,1097 0.998,1098 10.063,1099 12.635,1100 7.229,1101 19.49,1102 9.903,1103 3.18,1104 0.244,1105 17.979,1106 0.752,1107 11.033,1108 13.961,1109 7.992,1110 21.696,1111 10.858,1112 2.945,1113 10.658,1114 19.794,1115 0.424,1116 12.2,1117 15.513,1118 8.97,1119 24.061,1120 12.012,1121 2.699,1122 9.446,1123 21.618,1124 4.573,1125 13.252,1126 16.933,1127 9.802,1128 26.339,1129 13.051,1130 2.584,1131 8.411,1132 23.447,1133 3.963,1134 14.389,1135 18.455,1136 10.736,1137 28.687,1138 14.177,1139 2.25,1140 7.859,1141 25.282,1142 3.356,1143 15.481,1144 19.92,1145 11.599,1146 31,1147 15.257,1148 2.025,1149 6.754,1150 27.122,1151 3.059,1152 16.61,1153 21.432,1154 12.513,1155 33.345,1156 16.377,1157 1.633,1158 6.199,1159 28.966,1160 2.922,1161 17.722,1162 22.921,1163 13.391,1164 35.678,1165 17.479,1166 12278,1167 20121,1168 22.076,1169 36.625,1170 48.958,1171 50.927,1172 51.038,1173 48.853,1174 48.899,1175 62.386,1176 11.024,1177 141.308,1178 47.392,1179 5.547,1180 5.784,1181 6.297,1182 5.207,1183 5.18,1184 7.573,1185 4.174,1186 17.647,1187 5.149,1188 15.065,1189 1.484,1190 1.543,1191 1.547,1192 1.48,1193 1.482,1194 1.89,1195 0.334,1196 4.282,1197 1.436,1198 4.14,1199 4.141,1200 4.112,1201 4.048,1202 7.432,1203 4.061,1204 3.907,1205 3.915,1206 3.865,1207 3.814,1208 5.163,1209 3.821,1210 3.778,1211 3.815,1212 3.672,1213 3.617,1214 4.977,1215 3.618,1216 3.604,1217 3.653,1218 3.482,1219 3.464,1220 4.609,1221 3.46,1222 3.403,1223 3.428,1224 3.29,1225 3.203,1226 4.458,1227 3.219,1228 3.264,1229 3.321,1230 3.106,1231 3.006,1232 4.304,1233 3.014,1234 3.225,1235 3.281,1236 3.09,1237 2.982,1238 4.204,1239 3.002,1240 3.137,1241 3.206,1242 2.931,1243 2.929,1244 4.121,1245 2.919,1246 0.14,1247 0.115,1248 0.2,1249 0.126,1250 0.096,1251 4.62,1252 0.139,1253 3.784,1254 0.074,1255 6.616,1256 0.323,1257 4.169,1258 0.095,1259 3.18,1260 4.573,1261 2.443,1262 10.658,1263 3.149,1264 1.95,1265 1.935,1266 2.048,1267 2.036,1268 1.3,1269 2.037,1270 1.875,1271 1.864,1272 1.972,1273 1.963,1274 1.228,1275 1.96,1276 1.734,1277 1.689,1278 1.955,1279 1.918,1280 1.095,1281 1.932,1282 1.545,1283 1.491,1284 1.783,1285 1.74,1286 1.017,1287 1.757,1288 1.337,1289 1.327,1290 1.604,1291 1.552,1292 0.699,1293 1.554,1294 1.222,1295 1.142,1296 1.578,1297 1.518,1298 0.591,1299 1.52,1300 1.168,1301 1.125,1302 1.445,1303 1.476,1304 0.579,1305 1.488,1306 1.141,1307 1.077,1308 1.403,1309 1.436,1310 0.551,1311 1.419,1312 4.205,1314 5.525,1315 3.045,1316 7.034,1317 5.352,1318 8.632,1319 7.424,1320 10.281,1322 5.503,1328 2.98,1330 21.751,1332 -0.054,1340 35.137,1341 77.452,1342 190.999,1343 271.437,1344 298.947,1345 300.947,1346 300.947,1347 51.66,1348 7.962,1349 67.13,1350 67.13,1351 22,1352 12.666,1353 4.17,1354 3.322,1355 47.263,1356 137,1357 150,1358 0.168,1359 211.971,1360 373.24,1361 508.97,1362 32868,1364 21.087,1365 0.703,1366 0.584,1367 21.087,1368 17.526,1369 14.584,1370 0.442,1371 0.311,1372 10.074,1373 13.868,1374 9.777,1375 8.14,1376 14.584,1377 10.258,1378 12.833,1379 0.279,1380 0.163,1381 12.833,1382 7.475,1383 11.322,1384 0.183,1385 0.087,1386 11.322,1387 5.388,1388 9.021,1389 0.113,1390 0.043,1391 9.021,1392 3.426,1393 6.93,1394 0.071,1395 0.023,1396 6.93,1397 2.256,1398 0.269,1399 92.738,1400 0.213,1401 28.788,1402 0.445,1403 158,1404 516.413,1405 178.26,1406 471.809,1407 645.82,1408 446,1409 187,1410 473.818,1411 207.819,1412 472.194,1413 698.06,1414 442,1415 5.229}
{0 CHEMBL1834811,1 1.36,2 13.179,3 5.849,4 34.212,5 104.805,6 7.317,7 0.516,8 4.053,9 4.141,10 3.611,11 3.59,12 5.115,13 3.577,14 4.617,15 4.76,16 3.972,17 3.973,18 5.682,19 3.942,20 4.806,21 4.995,22 3.949,23 4.057,24 5.804,25 3.992,26 4.855,27 5.051,28 3.805,29 4.002,30 5.872,31 3.92,32 4.735,33 4.957,34 3.673,35 3.908,36 5.662,37 3.797,38 4.653,39 4.87,40 3.664,41 3.848,42 5.569,43 3.75,44 4.616,45 4.845,46 3.592,47 3.796,48 5.513,49 3.693,50 4.533,51 4.757,52 3.526,53 3.699,54 5.488,55 3.603,56 0.021,57 0.648,58 10.827,59 5.43,60 5.892,61 6.497,62 0.401,63 1.077,64 21.638,65 9.025,66 35.138,67 11.095,68 0.281,69 1.291,70 27.167,71 10.949,72 35.665,73 13.955,74 0.534,75 1.3,76 30.033,77 10.908,78 61.601,79 13.552,80 0.434,81 1.184,82 26.471,83 10.155,84 46.579,85 13.411,86 0.365,87 1.096,88 24.089,89 9.398,90 34.466,91 12.4,92 0.25,93 1.058,94 23.305,95 9.105,96 29.605,97 12.124,98 0.362,99 0.96,100 21.707,101 8.224,102 34.479,103 10.879,104 17,105 43,106 0.227,107 0.567,108 0.78,109 0.881,110 0.888,111 0.888,112 3.374,113 0.942,114 -4.89,115 -4.79,116 -4.5,121 44.2,122 2,123 3,124 1,127 1,128 1,144 7,145 3,146 2,154 2,160 1,176 13,179 2,180 9,187 13,192 13,200 13,206 8,214 10,218 1,219 5,227 11,231 1,232 6,239 11,244 6,251 10,255 1,256 6,264 10,269 5,277 8,281 1296,282 19.179,283 19.179,284 19.179,285 19.179,286 19.179,287 17.278,288 16.684,289 11.273,290 19.438,291 15.242,292 15.242,293 15.242,294 15.242,295 15.242,296 12.138,297 16.27,298 5.293,299 15.621,300 4.34,301 2.299,302 1.022,303 0.414,304 0.375,305 0.375,306 4.072,312 1,313 805,314 3.808,317 134.508,318 152.837,321 237.779,325 2.321,326 26.16,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 61,338 369,339 4.54,340 3.784,341 6.412,342 4.099,343 3.105,344 4.47,345 2.443,346 10.028,347 3.091,348 4.282,349 3.318,350 6.187,351 3.866,352 2.903,353 3.946,354 1.392,355 9.235,356 2.796,357 3.892,358 3.073,359 5.862,360 3.689,361 2.699,362 3.303,363 0.532,364 8.114,365 2.658,366 3.862,367 2.693,368 5.859,369 3.518,370 2.533,371 3.059,372 0.286,373 7.859,374 2.481,375 3.554,376 2.373,377 5.253,378 3.209,379 2.214,380 2.907,382 6.639,383 2.199,384 3.032,385 2.023,386 4.434,387 2.573,388 1.633,389 2.297,391 4.343,392 1.534,393 2.888,394 1.992,395 4.409,396 2.534,397 1.536,398 2.029,400 4.273,401 1.523,402 2.777,403 1.85,404 4.24,405 2.478,406 1.533,407 1.883,409 3.788,410 1.442,411 2.68,412 1.788,413 4.032,414 2.349,415 1.361,416 1.677,418 3.591,419 1.338,420 2.384,421 1.529,422 3.469,423 2.176,424 1.169,425 1.316,427 2.526,428 1.167,429 2.174,430 1.262,431 3.432,432 2.012,433 1.012,434 1.144,436 2.347,437 1.012,438 1.956,439 0.932,440 3.162,441 1.529,442 0.543,443 0.728,445 1.287,446 0.532,447 1.635,448 0.731,449 3.036,450 1.336,451 0.401,452 0.48,454 0.994,455 0.371,456 1.503,457 0.485,458 2.815,459 1.265,460 0.296,461 0.34,463 0.609,464 0.285,465 1.194,466 0.344,467 2.603,468 1.088,469 0.076,470 0.084,472 0.115,473 0.077,474 13.167,475 0.47,476 0.623,477 0.022,478 34.25,479 1.223,480 16.5,481 0.589,482 17.75,483 0.634,484 24.017,485 0.858,486 30.633,487 0.589,488 23.941,489 0.855,490 6.51,491 0.232,492 7.126,493 0.254,494 0.101,496 0.342,501 0.787,502 1.195,503 0.769,504 1.162,505 0.645,506 0.995,507 0.937,508 0.985,509 0.858,510 0.97,511 0.646,512 0.91,513 0.986,514 1.061,515 0.933,516 1.048,517 0.883,518 0.991,519 1.455,520 0.946,521 1.209,522 0.949,523 1.741,524 1.016,525 0.878,526 0.949,527 0.988,528 0.96,529 1.205,530 0.99,531 0.813,532 0.975,533 0.921,534 0.978,535 0.825,536 0.972,537 0.818,538 0.984,539 0.886,540 0.982,541 0.637,542 0.953,543 0.859,544 0.907,545 0.893,546 0.909,547 0.992,548 0.907,549 5.5,550 0.127,551 3.333,552 1.486,553 1.267,554 0.542,555 0.459,556 0.368,557 0.217,558 0.177,559 11355,560 29061,561 2.115,562 46.2,563 10,564 9,565 2,568 1,569 2,572 1.703,573 2,574 3.675,575 -0.813,582 70.732,583 1.36,584 3.402,585 4.678,586 5.287,587 5.325,588 5.325,589 3.146,590 4.664,591 4.774,592 3.867,593 1461.84,594 8.265,595 20398.9,600 296.423,601 1.333,602 4.748,603 0.177,604 0.007,605 0.078,606 0.036,607 0.037,608 0.018,609 0.015,610 0.013,611 0.008,612 0.008,613 0.398,614 0.33,615 1,616 1.719,617 144.181,618 -0.009,619 -0.097,620 0.073,621 -0.079,622 -0.035,623 -0.002,624 0.109,625 0.05,626 0.08,627 0.051,628 0.117,629 0.058,630 -0.06,631 -0.059,632 0.019,633 -0.048,634 0.006,635 -0.006,636 -0.236,637 0.031,638 -0.198,639 0.017,640 -0.267,641 -0.066,642 0.006,643 0.028,644 -0.015,645 0.023,646 -0.085,647 0.004,648 0.047,649 0.008,650 0.044,651 0.011,652 -0.004,653 0.024,654 -0.017,655 -0.007,656 0.078,657 0.005,658 0.059,659 0.051,660 0.052,661 0.066,662 0.09,663 0.07,664 0.028,665 0.085,666 1.777,667 4.717,668 0.643,669 33.378,670 1.005,671 1.116,672 3.658,673 13.379,674 0.662,675 3.466,676 3.784,677 4.06,678 4.29,679 4.477,680 4.615,681 4.796,682 4.984,683 5.037,684 5.159,685 7.734,686 0.633,687 380.47,688 3.466,689 5.004,690 5.855,691 6.725,692 7.593,693 8.47,694 9.347,695 10.23,696 11.112,697 11.999,714 2,715 7,718 1,720 5,722 16,739 2,741 52,743 17,744 2,745 31,747 55,748 23,749 14,750 6,751 6,756 4,757 6,763 2,770 3,772 15,773 8,774 1,777 1,782 1,786 1,792 1,793 24,794 5,796 5,808 0.5,809 5,828 2,829 2,832 2,846 1,859 2,864 2,868 28,876 5,878 3,880 1,893 9.6,896 1,898 4,901 14,902 10,903 6.194,904 3.451,907 3.246,908 1.414,909 0.971,910 5.695,911 11.08,912 3.714,913 4.314,914 4.917,915 5.511,916 6.067,917 6.48,918 6.962,919 7.454,920 7.76,921 8.148,922 0.889,923 41,924 10.378,926 4.395,927 0.026,929 7.685,931 20.025,933 16.483,936 2.185,937 61.167,941 282.506,942 139.738,945 67.652,948 139.738,949 350.158,951 17.65,952 18.846,953 66.334,954 32.336,955 61.938,956 33.827,957 258.964,959 282.506,960 139.738,961 67.652,964 258.964,965 91.194,968 36.497,969 103.241,972 282.506,973 67.652,974 139.738,977 282.506,978 55.754,979 83.984,981 67.652,982 282.506,983 67.652,984 139.738,986 0.58,987 0.343,988 0.171,989 0.083,990 21,991 9,992 0.145,993 8,994 2,995 1.222,996 4.152,997 234.868,998 0.222,999 18,1000 134.606,1005 19.037,1006 8.376,1007 4.262,1008 1.904,1009 67.652,1010 14.032,1013 5.999,1015 4.457,1018 489.896,1019 40,1024 11.717,1028 -0.11,1031 52.24,1032 58.029,1034 0.239,1035 0.597,1036 0.821,1037 0.927,1038 0.934,1039 0.934,1040 4.949,1041 1.533,1042 5.832,1043 4.273,1044 4.466,1045 5.001,1046 2.739,1047 6.624,1048 4.424,1049 6.146,1050 1.361,1051 7.381,1052 3.788,1053 4.007,1054 4.844,1055 2.243,1056 7.466,1057 3.958,1058 7.453,1059 1.169,1060 9.027,1061 3.591,1062 6.047,1063 7.222,1064 3.993,1065 10.54,1066 5.971,1067 8.799,1068 1.012,1069 10.728,1070 2.526,1071 6.431,1072 7.92,1073 4.269,1074 12.198,1075 6.346,1076 10.177,1077 0.543,1078 12.465,1079 2.347,1080 7.907,1081 9.769,1082 5.545,1083 14.76,1084 7.803,1085 11.579,1086 0.401,1087 14.225,1088 1.287,1089 8.67,1090 10.861,1091 6.158,1092 16.754,1093 8.555,1094 12.997,1095 0.296,1096 16.002,1097 0.994,1098 9.92,1099 12.498,1100 7.229,1101 19.133,1102 9.792,1103 3.105,1104 0.076,1105 17.789,1106 0.609,1107 10.86,1108 13.786,1109 7.992,1110 21.276,1111 10.721,1112 2.903,1113 10.028,1114 19.586,1115 0.115,1116 12.017,1117 15.331,1118 8.97,1119 23.587,1120 11.868,1121 2.699,1122 9.235,1123 21.389,1124 4.47,1125 13.041,1126 16.717,1127 9.802,1128 25.8,1129 12.882,1130 2.533,1131 8.114,1132 23.198,1133 3.946,1134 14.162,1135 18.224,1136 10.736,1137 28.088,1138 13.995,1139 2.214,1140 7.859,1141 25.01,1142 3.303,1143 15.227,1144 19.659,1145 11.599,1146 30.336,1147 15.053,1148 1.633,1149 6.639,1150 26.826,1151 3.059,1152 16.336,1153 21.151,1154 12.513,1155 32.618,1156 16.155,1157 1.536,1158 4.343,1159 28.645,1160 2.907,1161 17.422,1162 22.612,1163 13.391,1164 34.885,1165 17.236,1166 10799,1167 17452,1168 20.978,1169 34.409,1170 46.189,1171 47.721,1172 47.524,1173 46.025,1174 46.029,1175 59.324,1176 9.304,1177 131.494,1178 45.012,1179 5.467,1180 5.784,1181 6.096,1182 5.136,1183 5.105,1184 7.47,1185 4.174,1186 16.729,1187 5.091,1188 12.675,1189 1.49,1190 1.539,1191 1.533,1192 1.485,1193 1.485,1194 1.914,1195 0.3,1196 4.242,1197 1.452,1198 4.134,1199 4.139,1200 4.101,1201 4.048,1202 7.432,1203 4.058,1204 3.905,1205 3.914,1206 3.86,1207 3.814,1208 5.149,1209 3.82,1210 3.778,1211 3.815,1212 3.672,1213 3.617,1214 4.972,1215 3.618,1216 3.604,1217 3.653,1218 3.481,1219 3.464,1220 4.48,1221 3.46,1222 3.374,1223 3.401,1224 3.259,1225 3.191,1226 4.385,1227 3.201,1228 3.229,1229 3.292,1230 3.09,1231 2.995,1232 4.21,1233 3.003,1234 3.152,1235 3.213,1236 2.968,1237 2.95,1238 4.125,1239 2.949,1240 2.994,1241 3.052,1242 2.809,1243 2.814,1244 3.966,1245 2.807,1246 0.146,1247 0.122,1248 0.207,1249 0.132,1250 0.1,1251 4.54,1252 0.144,1253 3.784,1254 0.079,1255 6.412,1256 0.323,1257 4.099,1258 0.1,1259 3.105,1260 4.47,1261 2.443,1262 10.028,1263 3.091,1264 1.955,1265 1.935,1266 2.062,1267 2.031,1268 1.298,1269 2.041,1270 1.875,1271 1.864,1272 1.973,1273 1.963,1274 1.228,1275 1.96,1276 1.734,1277 1.689,1278 1.956,1279 1.918,1280 1.095,1281 1.932,1282 1.545,1283 1.489,1284 1.788,1285 1.732,1286 1.017,1287 1.754,1288 1.323,1289 1.314,1290 1.603,1291 1.529,1292 0.699,1293 1.521,1294 1.22,1295 1.138,1296 1.458,1297 1.487,1298 0.581,1299 1.497,1300 1.154,1301 1.121,1302 1.425,1303 1.475,1304 0.556,1305 1.456,1306 1.029,1307 0.981,1308 1.301,1309 1.297,1310 0.465,1311 1.297,1312 4.143,1314 5.46,1315 3.045,1316 6.959,1317 5.352,1318 8.543,1319 7.413,1320 10.173,1322 3.886,1328 3.181,1330 16.131,1332 -0.031,1340 32.896,1341 70.732,1342 176.878,1343 243.262,1344 274.913,1345 276.913,1346 276.913,1347 44.497,1348 7.834,1349 57.9,1350 57.9,1351 22,1352 12.531,1353 4.17,1354 3.322,1355 42.834,1356 130,1357 134,1358 0.16,1359 198.383,1360 347.15,1361 475.814,1362 29203,1364 19.51,1365 0.697,1366 0.578,1367 19.51,1368 16.196,1369 13.635,1370 0.44,1371 0.314,1372 9.587,1373 13.068,1374 9.334,1375 7.752,1376 13.635,1377 9.729,1378 12.102,1379 0.281,1380 0.166,1381 12.102,1382 7.131,1383 10.594,1384 0.186,1385 0.09,1386 10.594,1387 5.107,1388 8.297,1389 0.115,1390 0.044,1391 8.297,1392 3.198,1393 6.325,1394 0.073,1395 0.024,1396 6.325,1397 2.078,1398 0.26,1399 85.931,1400 0.218,1401 27.439,1402 0.414,1403 148,1404 460.678,1405 165.382,1406 425.473,1407 584.79,1408 402,1409 174,1410 432.273,1411 191.386,1412 430.423,1413 636.09,1414 405,1415 5.215}
{0 CHEMBL1834877,1 1.49,2 14.758,3 5.82,4 33.868,5 120.817,6 7.955,7 0.595,8 4.155,9 4.234,10 3.783,11 3.685,12 5.295,13 3.698,14 4.682,15 4.799,16 4.136,17 4.056,18 5.853,19 4.054,20 4.834,21 4.992,22 4.115,23 4.141,24 5.894,25 4.103,26 4.884,27 5.06,28 4.059,29 4.1,30 5.941,31 4.058,32 4.862,33 5.047,34 3.973,35 4.044,36 5.918,37 3.993,38 4.798,39 4.968,40 3.934,41 4.007,42 5.857,43 3.955,44 4.789,45 4.985,46 3.873,47 3.979,48 5.781,49 3.909,50 4.752,51 4.954,52 3.817,53 3.924,54 5.754,55 3.845,56 0.09,57 0.718,58 10.15,59 5.404,60 8.088,61 5.992,62 0.621,63 1.155,64 20.741,65 8.923,66 41.624,67 10.027,68 0.491,69 1.364,70 25.254,71 10.717,72 37.209,73 12.789,74 0.514,75 1.412,76 28.022,77 11.046,78 46.537,79 13.149,80 0.683,81 1.351,82 28.681,83 10.836,84 58.017,85 12.899,86 0.595,87 1.27,88 25.827,89 10.233,90 50.325,91 12.015,92 0.566,93 1.263,94 26.692,95 10.453,96 44.231,97 12.945,98 0.587,99 1.233,100 25.662,101 9.99,102 43.651,103 12.691,104 6,105 51,106 0.242,107 0.574,108 0.763,109 0.867,110 0.881,111 0.881,112 3.531,113 0.867,114 -4.03,115 -3.98,116 -3.77,121 46.4,123 2,126 1,127 1,128 1,144 11,145 3,146 4,154 2,161 1,176 13,179 2,180 7,183 2,185 2,187 13,191 1,192 11,197 2,200 11,206 13,211 2,214 7,218 1,219 11,224 1,227 6,231 1,232 9,237 1,239 8,243 1,244 6,249 2,251 9,255 2,256 4,261 1,264 8,268 2,269 5,272 1,274 1,277 8,281 2074,282 22.903,283 22.903,284 22.903,285 22.903,286 22.903,287 20.234,288 23.388,289 13.703,290 23.404,291 18.285,292 18.285,293 18.285,294 18.285,295 18.285,296 14.045,297 27.835,298 6.515,299 18.961,300 4.317,301 2.266,302 1.099,303 0.456,304 0.371,305 0.371,306 4.243,312 1,313 1086,314 3.674,317 163.641,318 310.846,321 288.712,325 2.371,326 31.046,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 72.5,338 487,339 4.62,340 3.651,341 6.616,342 4.169,343 3.18,344 4.573,345 2.186,346 10.658,347 3.149,348 4.308,349 3.325,350 6.255,351 3.906,352 2.945,353 3.963,354 1.392,355 9.446,356 2.832,357 3.963,358 3.244,359 5.952,360 3.585,361 2.626,362 3.476,363 0.86,364 8.411,365 2.514,366 3.906,367 2.749,368 5.484,369 3.558,370 2.584,371 3.356,372 0.532,373 7.392,374 2.503,375 3.577,376 2.549,377 5.294,378 3.246,379 2.261,380 2.924,381 0.366,382 6.754,383 2.227,384 3.529,385 2.526,386 5.2,387 3.106,388 2.143,389 2.77,391 6.199,392 2.037,393 3.417,394 2.24,395 4.818,396 2.984,397 2.025,398 2.757,400 5.515,401 1.932,402 2.888,403 1.991,404 4.426,405 2.48,406 1.534,407 2.029,409 4.29,410 1.451,411 2.866,412 1.902,413 4.242,414 2.462,415 1.492,416 2.009,418 3.786,419 1.436,420 2.773,421 1.778,422 3.897,423 2.367,424 1.376,425 1.883,427 3.146,428 1.358,429 2.5,430 1.519,431 3.622,432 2.277,433 1.288,434 1.5,436 2.894,437 1.267,438 2.498,439 1.292,440 3.47,441 2.02,442 1.025,443 1.484,445 2.434,446 1.02,447 2.266,448 1.226,449 3.434,450 2,451 1,452 1.201,454 2.32,455 1,456 2.171,457 1,458 3.247,459 1.866,460 0.919,461 1.135,463 2.136,464 0.862,465 1.636,466 0.934,467 3.037,468 1.355,469 0.442,470 0.487,472 1,473 0.398,474 15.4,475 0.467,476 0.653,477 0.02,478 45.25,479 1.371,480 23.5,481 0.712,482 21.75,483 0.659,484 25.262,485 0.766,486 35,487 0.625,488 34.53,489 1.046,490 9.247,491 0.28,492 6.944,493 0.21,494 0.054,496 0.325,501 0.843,502 1.178,503 0.704,504 1.098,505 0.669,506 0.909,507 1.014,508 0.928,509 0.878,510 0.904,511 0.686,512 0.872,513 0.936,514 1.088,515 0.961,516 1.064,517 0.838,518 1.026,519 1.139,520 1.073,521 1.046,522 1.068,523 1.115,524 1.037,525 1.189,526 0.928,527 1.078,528 0.949,529 1.384,530 0.978,531 1.164,532 1.054,533 1.136,534 1.083,535 1.352,536 1.099,537 0.967,538 1.006,539 0.999,540 1.011,541 0.857,542 1.016,543 0.802,544 1.064,545 0.993,546 1.074,547 0.965,548 1.077,549 6,550 0.15,551 2.889,552 1.889,553 1.774,554 0.858,555 0.6,556 0.333,557 0.343,558 0.213,559 18703,560 52236,561 2.168,562 41.1,563 2,564 16,565 2,567 1,569 2,572 1.748,573 2.084,574 3.818,575 -0.382,582 83.449,583 1.49,584 3.541,585 4.708,586 5.352,587 5.437,588 5.437,589 3.294,590 4.923,591 5.012,592 4.027,593 2126.01,594 8.753,595 33628.5,600 325.212,601 1.182,602 4.999,603 0.162,604 0.005,605 0.057,606 0.039,607 0.039,608 0.021,609 0.015,610 0.009,611 0.01,612 0.006,613 0.364,614 0.33,615 0.88,616 0.551,617 179.127,618 -0.046,619 -0.108,620 0.067,621 -0.087,622 -0.057,623 -0.002,624 0.082,625 0.096,626 0.02,627 0.083,628 0.113,629 0.041,630 -0.03,631 -0.081,632 -0.042,633 -0.073,634 -0.037,635 -0.062,636 -0.135,637 -0.076,638 -0.076,639 -0.093,640 -0.09,641 -0.072,642 -0.109,643 0.047,644 -0.075,645 0.027,646 -0.12,647 -0.005,648 -0.101,649 -0.078,650 -0.161,651 -0.102,652 -0.158,653 -0.136,654 -0.024,655 -0.048,656 -0.006,657 -0.02,658 -0.001,659 -0.013,660 0.089,661 -0.09,662 -0.002,663 -0.09,664 -0.013,665 -0.071,666 2.127,667 4.925,668 0.727,669 43.107,670 1.014,671 1.113,672 2.796,673 7.816,674 0.681,675 3.638,676 3.951,677 4.234,678 4.522,679 4.727,680 4.844,681 5.011,682 5.165,683 5.252,684 5.389,685 8.584,686 0.663,687 445.5,688 3.638,689 5.176,690 6.028,691 6.905,692 7.774,693 8.659,694 9.538,695 10.428,696 11.314,697 12.208,698 1.8,705 1,714 2,715 11,718 1,720 7,722 22,737 1,739 3,741 56,743 23,744 3,745 37,747 60,748 26,749 20,750 8,751 10,756 5,757 7,770 2,772 21,773 5,777 1,782 1,786 1,792 1,793 23,794 7,795 1,796 7,802 1,808 0.6,809 6,828 2,829 3,832 2,859 3,864 1,868 33,876 4,877 1,878 4,893 10.7,896 1,898 5,901 15.833,902 10.417,903 7.278,904 3.264,907 3.91,908 1.47,909 1.003,910 6.417,911 12.234,912 3.912,913 4.525,914 5.131,915 5.757,916 6.31,917 6.671,918 7.128,919 7.594,920 7.928,921 8.317,922 0.9,923 49,924 12.178,926 5.18,927 0.026,929 7.732,931 23.18,933 18.883,936 2.232,937 73.667,941 258.964,942 175.912,943 18.011,945 78.652,948 175.912,949 337.616,950 18.011,951 10.883,952 34.322,953 104.239,954 25.145,955 80.938,956 40.59,957 235.422,959 258.964,960 193.923,961 78.652,964 235.422,965 102.194,968 34.322,969 159.6,972 258.964,973 96.663,974 175.912,977 258.964,978 60.79,979 115.122,980 18.011,981 78.652,982 258.964,983 96.663,984 175.912,986 0.573,987 0.335,988 0.187,989 0.099,990 25,991 10,992 0.133,993 8,994 2,995 1.167,996 4.64,997 300.074,998 0.167,999 24,1000 160.465,1005 21.677,1006 9.769,1007 4.943,1008 1.632,1009 96.663,1010 20.962,1013 6.106,1015 5.5,1017 18.011,1018 531.539,1019 49,1024 11.925,1028 -0.461,1031 56.785,1032 62.322,1034 0.257,1035 0.61,1036 0.811,1037 0.922,1038 0.936,1039 0.936,1040 5.139,1041 1.534,1042 5.994,1043 5.515,1044 4.635,1045 5.212,1046 2.738,1047 6.786,1048 4.572,1049 6.337,1050 1.492,1051 7.532,1052 4.29,1053 4.111,1054 4.997,1055 1.784,1056 7.609,1057 4.025,1058 7.641,1059 1.376,1060 9.168,1061 3.786,1062 6.205,1063 7.437,1064 3.727,1065 10.721,1066 6.09,1067 8.983,1068 1.288,1069 10.864,1070 3.146,1071 6.538,1072 8.085,1073 3.59,1074 12.4,1075 6.399,1076 10.358,1077 1.025,1078 12.599,1079 2.894,1080 8.054,1081 9.978,1082 5.013,1083 15.003,1084 7.899,1085 11.758,1086 1,1087 14.361,1088 2.434,1089 8.794,1090 11.045,1091 5.289,1092 17.046,1093 8.618,1094 13.176,1095 0.919,1096 16.144,1097 2.32,1098 10.072,1099 12.711,1100 6.434,1101 19.474,1102 9.885,1103 3.18,1104 0.442,1105 17.941,1106 2.136,1107 11.012,1108 13.995,1109 6.93,1110 21.679,1111 10.808,1112 2.945,1113 10.658,1114 19.75,1115 1,1116 12.192,1117 15.562,1118 7.922,1119 24.047,1120 11.98,1121 2.626,1122 9.446,1123 21.569,1124 4.573,1125 13.23,1126 16.958,1127 8.539,1128 26.327,1129 13.005,1130 2.584,1131 8.411,1132 23.396,1133 3.963,1134 14.374,1135 18.485,1136 9.444,1137 28.677,1138 14.14,1139 2.261,1140 7.392,1141 25.23,1142 3.476,1143 15.46,1144 19.937,1145 10.13,1146 30.992,1147 15.217,1148 2.143,1149 6.754,1150 27.069,1151 3.356,1152 16.593,1153 21.45,1154 10.985,1155 33.339,1156 16.342,1157 2.025,1158 6.199,1159 28.914,1160 2.924,1161 17.703,1162 22.932,1163 11.71,1164 35.673,1165 17.445,1166 17179,1167 28882,1168 25.542,1169 38.108,1170 54.927,1171 56.9,1172 55.842,1173 54.851,1174 54.956,1175 72.617,1176 10.671,1177 155.47,1178 53.144,1179 5.55,1180 5.651,1181 6.418,1182 5.234,1183 5.18,1184 7.573,1185 3.889,1186 17.647,1187 5.149,1188 10.999,1189 1.485,1190 1.538,1191 1.509,1192 1.482,1193 1.485,1194 1.963,1195 0.288,1196 4.202,1197 1.436,1198 4.14,1199 4.142,1200 4.112,1201 4.048,1202 7.435,1203 4.061,1204 3.907,1205 3.938,1206 3.865,1207 3.824,1208 5.163,1209 3.823,1210 3.904,1211 3.915,1212 3.837,1213 3.813,1214 4.977,1215 3.819,1216 3.651,1217 3.687,1218 3.543,1219 3.485,1220 4.774,1221 3.488,1222 3.444,1223 3.455,1224 3.387,1225 3.221,1226 4.608,1227 3.251,1228 3.331,1229 3.371,1230 3.22,1231 3.055,1232 4.45,1233 3.099,1234 3.241,1235 3.287,1236 3.102,1237 2.984,1238 4.302,1239 3.006,1240 3.125,1241 3.18,1242 2.982,1243 2.912,1244 4.201,1245 2.922,1246 0.125,1247 0.099,1248 0.179,1249 0.113,1250 0.086,1251 4.62,1252 0.124,1253 3.651,1254 0.059,1255 6.616,1256 0.288,1257 4.169,1258 0.085,1259 3.18,1260 4.573,1261 2.186,1262 10.658,1263 3.149,1264 1.95,1265 1.935,1266 2.047,1267 2.036,1268 1.298,1269 2.037,1270 1.886,1271 1.864,1272 2.009,1273 1.99,1274 1.096,1275 1.996,1276 1.875,1277 1.855,1278 1.956,1279 1.963,1280 1.061,1281 1.96,1282 1.563,1283 1.516,1284 1.787,1285 1.776,1286 1.017,1287 1.775,1288 1.338,1289 1.327,1290 1.579,1291 1.562,1292 0.591,1293 1.555,1294 1.208,1295 1.177,1296 1.446,1297 1.522,1298 0.579,1299 1.489,1300 1.163,1301 1.125,1302 1.409,1303 1.493,1304 0.554,1305 1.462,1306 1.133,1307 1.072,1308 1.339,1309 1.434,1310 0.427,1311 1.413,1312 4.317,1314 5.631,1315 3.045,1316 7.132,1317 5.352,1318 8.722,1319 7.424,1320 10.363,1322 1.623,1328 1.958,1329 2.707,1330 21.715,1340 37.105,1341 83.449,1342 198.296,1343 263.648,1344 299.702,1345 304.457,1346 304.457,1347 47.534,1348 8.324,1349 79.16,1350 79.16,1351 28,1352 12.736,1353 4.585,1354 3.7,1355 48.175,1356 170,1357 176,1358 0.135,1359 221.775,1360 387.66,1361 532.89,1362 56453,1364 22.623,1365 0.686,1366 0.549,1367 22.623,1368 18.129,1369 16.191,1370 0.438,1371 0.289,1372 10.487,1373 15.407,1374 10.28,1375 8.5,1376 16.191,1377 10.687,1378 14.315,1379 0.281,1380 0.15,1381 14.315,1382 7.626,1383 12.205,1384 0.179,1385 0.079,1386 12.205,1387 5.382,1388 10.47,1389 0.115,1390 0.042,1391 10.47,1392 3.785,1393 8.266,1394 0.074,1395 0.023,1396 8.266,1397 2.522,1398 0.219,1399 102.788,1400 0.198,1401 31.485,1402 0.348,1403 176,1404 580.746,1405 198.535,1406 537.515,1407 738.65,1408 508,1409 207,1410 545.072,1411 228.986,1412 545.425,1413 802.88,1414 511,1415 5.347}
{0 CHEMBL183507,1 1.434,2 12.243,3 1.842,4 3.393,5 130.517,6 7.621,7 0.143,8 4.333,9 4.412,10 3.916,11 3.841,12 5.445,13 3.847,14 4.959,15 5.085,16 4.469,17 4.34,18 6.044,19 4.356,20 5.317,21 5.411,22 4.791,23 4.648,24 6.549,25 4.669,26 5.661,27 5.811,28 4.776,29 4.803,30 6.91,31 4.763,32 5.72,33 5.929,34 4.589,35 4.733,36 6.882,37 4.646,38 5.551,39 5.79,40 4.443,41 4.517,42 6.66,43 4.444,44 5.294,45 5.483,46 4.275,47 4.297,48 6.546,49 4.252,50 5.066,51 5.282,52 4.052,53 4.132,54 6.209,55 4.055,56 0.15,57 0.872,58 13.528,59 7.182,60 21.173,61 8.186,62 0.65,63 1.531,64 29.078,65 12.621,66 80.511,67 14.898,68 1.052,69 2.149,70 40.546,71 17.471,72 118.13,73 19.755,74 2.016,75 2.847,76 63.991,77 23.49,78 245.445,79 28.071,80 2.189,81 2.923,82 73.677,83 24.619,84 282.391,85 31.777,86 1.761,87 2.424,88 64.777,89 20.543,90 216.753,91 27.466,92 1.736,93 1.853,94 48.491,95 15.321,96 202.273,97 18.943,98 1.131,99 1.544,100 38.068,101 13.102,102 107.593,103 17.328,104 105,105 73,106 0.227,107 0.587,108 0.76,109 0.831,110 0.84,111 0.84,112 3.643,113 0.882,114 -3.57,115 -3.54,116 -3.38,121 41.8,122 4,123 3,125 2,126 2,132 4,137 1,138 1,140 2,144 4,145 1,146 1,158 1,160 2,176 9,179 2,180 15,185 2,187 12,191 3,192 19,195 1,197 4,200 19,205 4,206 18,209 2,211 2,214 16,218 2,219 16,222 3,224 3,227 10,231 2,232 16,235 1,239 11,243 5,244 8,249 1,251 9,255 4,256 6,261 2,264 11,268 2,269 4,274 2,277 7,281 2200,282 23.94,283 23.94,284 23.94,285 23.94,286 23.94,287 22.477,288 29.589,289 12.431,290 24.562,291 20.335,292 20.335,293 20.335,294 20.335,295 20.335,296 17.851,297 39.977,298 5.522,299 21.182,300 4.632,301 2.357,302 1.262,303 0.814,304 0.754,305 0.754,306 4.342,312 1,313 1005,314 4.899,317 123.185,318 365.656,321 100.86,322 323.873,325 2.034,326 74.996,329 0.75,330 0.5,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.83,337 83,338 453,339 5.466,340 4.851,341 9.583,342 5.419,343 4.44,344 4.538,345 2.746,346 21.555,347 4.343,348 4.874,349 4.193,350 8.804,351 4.807,352 3.845,353 4.044,354 2.137,355 17.632,356 3.693,357 4.423,358 3.755,359 7.988,360 4.094,361 3.133,362 3.827,363 1.674,364 14.1,365 3.004,366 4.14,367 3.552,368 7.377,369 3.963,370 2.999,371 3.599,372 1.016,373 11.546,374 2.881,375 4.05,376 3.509,377 6.507,378 3.799,379 2.813,380 3.144,381 0.86,382 10.149,383 2.772,384 3.89,385 3.086,386 6.169,387 3.677,388 2.691,389 3.032,390 0.86,391 8.778,392 2.65,393 3.696,394 2.964,395 6.07,396 3.291,397 2.347,398 2.961,399 0.267,400 7.621,401 2.206,402 3.307,403 2.76,404 5.707,405 3.098,406 2.142,407 2.382,409 6.763,410 2.03,411 3.287,412 2.666,413 5.296,414 2.936,415 1.973,416 2.361,418 6.42,419 1.873,420 3.085,421 2.556,422 5.057,423 2.794,424 1.816,425 2.107,427 5.495,428 1.75,429 2.907,430 1.947,431 4.734,432 2.402,433 1.454,434 1.96,436 4.241,437 1.364,438 2.5,439 1.786,440 4.462,441 2.055,442 1.1,443 1.5,445 3.11,446 1.035,447 2.23,448 1.673,449 4.411,450 2,451 1,452 1.173,454 2.275,455 1,456 2.111,457 1.274,458 4,459 1.761,460 0.793,461 0.922,463 1.882,464 0.745,465 1.697,466 1.053,467 3.854,468 1.473,469 0.529,470 0.586,472 1.369,473 0.478,474 17,475 0.459,476 1.647,477 0.045,478 38.5,479 1.041,480 14,481 0.378,482 24.5,483 0.662,484 51.41,485 1.389,486 41.8,487 0.624,488 37.505,489 1.014,490 7.028,491 0.19,492 10.254,493 0.277,494 0.255,495 0.176,496 0.235,501 0.767,502 1.211,503 0.731,504 1.178,505 0.67,506 0.987,507 0.838,508 0.888,509 0.587,510 0.846,511 0.604,512 0.683,513 1.046,514 1.202,515 0.878,516 1.167,517 0.903,518 1.01,519 1.176,520 1.169,521 1.212,522 1.175,523 1.081,524 1.199,525 1.058,526 1.018,527 1.128,528 1.032,529 1.326,530 1.087,531 0.99,532 0.839,533 0.88,534 0.832,535 1.113,536 0.826,537 1.285,538 0.899,539 1.147,540 0.902,541 1.318,542 0.97,543 0.805,544 0.933,545 0.906,546 0.94,547 0.874,548 0.949,549 12.5,550 0.35,551 10.667,552 8.667,553 5.447,554 2.882,555 1.566,556 1.069,557 0.635,558 0.42,559 17983,560 50393,561 2.026,562 44.8,563 9,564 11,567 1,569 9,572 1.784,573 1.79,574 3.444,575 -0.365,582 96.086,583 1.434,584 3.709,585 4.804,586 5.252,587 5.312,588 5.312,589 3.113,590 4.831,591 5.172,592 3.642,593 2425.82,594 9.124,595 35016.1,600 406.428,601 1.944,602 5.059,603 0.298,604 0.012,605 0.146,606 0.09,607 0.063,608 0.042,609 0.025,610 0.021,611 0.015,612 0.012,613 0.725,614 0.5,615 0.75,616 0.878,617 196.477,618 -0.047,619 -0.047,620 0.059,621 -0.031,622 -0.079,623 0.03,624 0.048,625 0.2,626 0.3,627 0.229,628 0.054,629 0.315,630 0.007,631 -0.108,632 0.016,633 -0.099,634 0.012,635 -0.05,636 -0.067,637 -0.153,638 -0.245,639 -0.175,640 0.008,641 -0.244,642 -0.04,643 -0.061,644 -0.117,645 -0.072,646 -0.092,647 -0.107,648 -0.002,649 0.088,650 0.161,651 0.107,652 -0.017,653 0.167,654 -0.058,655 0.054,656 -0.102,657 0.04,658 -0.053,659 -0.028,660 0.112,661 0.031,662 0.091,663 0.033,664 0.048,665 0.052,666 3.142,667 7.234,668 0.676,669 38.384,670 1.018,671 1.121,672 2.336,673 5.457,674 0.649,675 3.761,676 4.304,677 4.796,678 5.182,679 5.533,680 5.799,681 5.999,682 6.198,683 6.441,684 6.594,685 6.721,686 0.632,687 510.58,688 3.761,689 5.442,690 6.425,691 7.435,692 8.445,693 9.468,694 10.491,695 11.523,696 12.555,697 13.593,715 4,720 2,722 6,739 1,741 67,743 11,744 1,745 42,747 72,748 28,749 6,750 2,751 4,752 5,756 6,757 16,763 4,764 2,766 2,767 3,768 4,770 3,772 13,773 15,774 4,777 5,782 3,784 1,786 6,793 30,794 9,795 1,796 9,808 0.333,809 9,812 1,828 2,829 5,832 1,833 3,841 1,846 2,849 3,850 1,857 1,858 2,859 2,864 6,868 37,875 1,876 3,878 5,882 6,893 13.4,894 1,896 3,897 2,898 3,901 20.667,902 14.2,903 7.646,904 4.001,907 1.805,908 1.192,909 0.892,910 4.772,911 11.23,912 3.932,913 4.57,914 5.166,915 5.676,916 6.14,917 6.462,918 6.782,919 7.102,920 7.508,921 7.827,922 1,923 96,924 14.217,926 7.14,927 0.026,929 7.982,931 26.006,933 23.688,936 2.482,937 91.833,941 341.362,942 153.669,945 173.118,948 153.669,949 514.48,951 57.067,952 7.604,953 90.065,954 127.438,955 44.614,957 341.362,959 341.362,960 153.669,961 173.118,964 235.422,965 214.374,966 64.683,968 42.904,969 90.802,970 19.963,972 341.362,973 173.118,974 153.669,977 341.362,978 49.221,979 104.448,981 173.118,982 341.362,983 173.118,984 153.669,986 0.633,987 0.426,988 0.23,989 0.122,990 44,991 20,992 0.042,993 3,994 5,995 1.36,996 4.12,997 439.531,998 0.4,999 24,1000 180.75,1005 24.809,1006 7.116,1007 2.406,1009 173.118,1010 7.049,1015 1.319,1017 42.683,1018 668.149,1019 50,1024 40.556,1026 1.638,1028 -1.235,1031 68.2,1032 75.113,1034 0.236,1035 0.611,1036 0.792,1037 0.866,1038 0.876,1039 0.876,1040 5.354,1041 2.142,1042 6.586,1043 7.621,1044 4.99,1045 5.257,1046 3.46,1047 7.757,1048 4.919,1049 6.666,1050 1.973,1051 8.404,1052 6.763,1053 5.263,1054 5.497,1055 2.916,1056 9.705,1057 5.169,1058 8.111,1059 1.816,1060 10.358,1061 6.42,1062 7.052,1063 7.486,1064 4.789,1065 13.018,1066 6.925,1067 9.596,1068 1.454,1069 12.396,1070 5.495,1071 8.099,1072 8.442,1073 5.11,1074 15.736,1075 7.951,1076 11.121,1077 1.1,1078 14.489,1079 4.241,1080 9.575,1081 10.059,1082 6.45,1083 18.809,1084 9.401,1085 12.675,1086 1,1087 16.62,1088 3.11,1089 10.891,1090 11.296,1091 7.153,1092 21.752,1093 10.696,1094 14.254,1095 0.793,1096 18.776,1097 2.275,1098 12.324,1099 12.806,1100 8.285,1101 24.792,1102 12.107,1103 4.44,1104 0.529,1105 20.952,1106 1.882,1107 13.733,1108 14.166,1109 9.159,1110 27.806,1111 13.495,1112 3.845,1113 21.555,1114 23.142,1115 1.369,1116 15.176,1117 15.647,1118 10.21,1119 30.849,1120 14.918,1121 3.133,1122 17.632,1123 25.343,1124 4.538,1125 16.621,1126 17.066,1127 11.159,1128 33.889,1129 16.342,1130 2.999,1131 14.1,1132 27.552,1133 4.044,1134 18.078,1135 18.542,1136 12.181,1137 36.94,1138 17.779,1139 2.813,1140 11.546,1141 29.768,1142 3.827,1143 19.54,1144 19.994,1145 13.162,1146 39.993,1147 19.221,1148 2.691,1149 10.149,1150 31.99,1151 3.599,1152 21.007,1153 21.472,1154 14.174,1155 43.05,1156 20.668,1157 2.347,1158 8.778,1159 34.216,1160 3.144,1161 22.477,1162 22.943,1163 15.17,1164 46.109,1165 22.119,1166 16957,1167 28487,1168 26.118,1169 43.511,1170 69.062,1171 72.614,1172 76.413,1173 67.823,1174 67.788,1175 78.049,1176 19.119,1177 249.342,1178 65.185,1179 6.466,1180 6.851,1181 9.134,1182 6.524,1183 6.44,1184 7.538,1185 4.538,1186 32.961,1187 6.343,1188 24.624,1189 1.644,1190 1.729,1191 1.819,1192 1.615,1193 1.614,1194 1.858,1195 0.455,1196 5.937,1197 1.552,1198 4.159,1199 4.165,1200 4.12,1201 4.052,1202 7.445,1203 4.065,1204 3.963,1205 3.972,1206 3.926,1207 3.88,1208 7.432,1209 3.886,1210 3.823,1211 3.834,1212 3.772,1213 3.703,1214 7.413,1215 3.718,1216 3.591,1217 3.613,1218 3.519,1219 3.453,1220 6.445,1221 3.46,1222 3.386,1223 3.444,1224 3.246,1225 3.231,1226 4.913,1227 3.223,1228 3.278,1229 3.339,1230 3.141,1231 3.086,1232 4.758,1233 3.087,1234 3.277,1235 3.334,1236 3.117,1237 3.022,1238 4.68,1239 3.035,1240 3.187,1241 3.252,1242 3.024,1243 2.95,1244 4.477,1245 2.948,1246 0.13,1247 0.115,1248 0.228,1249 0.129,1250 0.106,1251 5.466,1252 0.108,1253 4.851,1254 0.065,1255 9.583,1256 0.513,1257 5.419,1258 0.103,1259 4.44,1260 4.538,1261 2.746,1262 21.555,1263 4.343,1264 1.989,1265 1.977,1266 2.098,1267 2.116,1268 1.515,1269 2.107,1270 1.902,1271 1.883,1272 2.007,1273 1.998,1274 1.212,1275 2,1276 1.728,1277 1.702,1278 1.902,1279 1.88,1280 1.115,1281 1.883,1282 1.648,1283 1.644,1284 1.758,1285 1.817,1286 0.98,1287 1.79,1288 1.442,1289 1.396,1290 1.704,1291 1.644,1292 0.928,1293 1.66,1294 1.283,1295 1.241,1296 1.586,1297 1.539,1298 0.701,1299 1.554,1300 1.203,1301 1.136,1302 1.571,1303 1.503,1304 0.595,1305 1.527,1306 1.161,1307 1.077,1308 1.526,1309 1.437,1310 0.588,1311 1.46,1312 4.443,1314 5.932,1315 3.045,1316 7.662,1317 5.9,1318 9.507,1319 8.404,1320 11.418,1322 9.766,1327 12.524,1328 0.349,1330 28.918,1334 -9.051,1340 42.335,1341 96.086,1342 248.515,1343 321.899,1344 351.899,1345 355.899,1346 355.899,1347 114.221,1348 9.424,1349 121.5,1350 121.5,1351 34,1352 14.031,1353 3.585,1354 3.17,1355 51.064,1356 148,1357 213,1358 0.177,1359 247.543,1360 465.89,1361 595.764,1362 161049,1364 26.811,1365 0.725,1366 0.587,1367 26.811,1368 21.721,1369 17.283,1370 0.411,1371 0.294,1372 12.125,1373 16.406,1374 11.631,1375 9.511,1376 17.283,1377 12.348,1378 17.753,1379 0.243,1380 0.158,1381 17.753,1382 11.52,1383 17.802,1384 0.148,1385 0.084,1386 17.802,1387 10.139,1388 15.617,1389 0.088,1390 0.045,1391 15.617,1392 7.896,1393 12.592,1394 0.05,1395 0.023,1396 12.592,1397 5.741,1398 0.269,1399 110.444,1400 0.196,1401 32.49,1402 0.514,1403 230,1404 702.034,1405 259.893,1406 644.001,1407 880.31,1408 600,1409 308,1410 658.848,1411 342.66,1412 656.072,1413 1005.48,1414 614,1415 6.638}
{0 CHEMBL183813,1 1.377,2 12,3 2.3,4 5.292,5 126.322,6 7.1,7 0.158,8 4.291,9 4.385,10 3.808,11 3.814,12 5.36,13 3.794,14 4.905,15 5.051,16 4.334,17 4.304,18 5.929,19 4.285,20 5.311,21 5.439,22 4.635,23 4.626,24 6.465,25 4.604,26 5.65,27 5.829,28 4.587,29 4.777,30 6.805,31 4.689,32 5.722,33 5.987,34 4.42,35 4.729,36 6.687,37 4.577,38 5.538,39 5.811,40 4.29,41 4.473,42 6.556,43 4.357,44 5.184,45 5.384,46 4.098,47 4.195,48 6.394,49 4.132,50 4.924,51 5.128,52 3.894,53 4.024,54 6.077,55 3.944,56 0.076,57 0.856,58 14.681,59 7.166,60 20.545,61 8.728,62 0.309,63 1.497,64 29.051,65 12.58,66 55.159,67 15.864,68 0.559,69 2.169,70 44.334,71 17.988,72 94.35,73 22.13,74 1.539,75 2.828,76 66.88,77 23.697,78 241.739,79 30.361,80 1.266,81 2.986,82 74.254,83 25.893,84 192.515,85 36.497,86 1.208,87 2.375,88 63.488,89 20.377,90 179.574,91 28.588,92 1.213,93 1.657,94 43.912,95 13.726,96 158.703,97 17.583,98 0.72,99 1.345,100 32.728,101 11.328,102 87.624,103 14.867,104 83,105 64,106 0.22,107 0.565,108 0.744,109 0.83,110 0.844,111 0.844,112 3.562,113 0.932,114 -4.12,115 -4.07,116 -3.85,121 40.9,122 4,123 5,125 2,126 1,132 3,137 1,138 1,140 2,144 4,145 1,146 1,158 1,160 1,176 11,179 1,180 12,185 5,187 15,192 12,195 1,197 10,200 25,205 2,206 10,209 1,210 1,211 5,214 23,219 10,222 3,224 5,227 13,231 1,232 16,235 1,239 12,243 1,244 8,247 2,249 2,251 10,255 2,256 5,261 2,264 12,268 2,269 2,274 3,277 10,281 1700,282 21.715,283 21.715,284 21.715,285 21.715,286 21.715,287 20.33,288 27.126,289 11.493,290 22.12,291 18.496,292 18.496,293 18.496,294 18.496,295 18.496,296 16.181,297 35.372,298 5.229,299 19.109,300 4.667,301 2.503,302 1.383,303 0.845,304 0.754,305 0.754,306 4.253,311 1,312 1,313 890,314 4.416,318 335.86,322 300.415,325 1.941,326 61.941,329 1,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.98,337 75,338 408,339 5.263,340 4.449,341 9.312,342 5.233,343 4.256,344 4.293,345 2.178,346 19.966,347 4.157,348 4.724,349 4.065,350 8.477,351 4.65,352 3.679,353 3.985,354 1.674,355 16.078,356 3.571,357 4.403,358 3.736,359 7.37,360 4.035,361 3.065,362 3.754,363 0.86,364 11.659,365 2.968,366 4.101,367 3.434,368 6.507,369 3.87,370 2.891,371 3.564,372 0.86,373 10.147,374 2.822,375 3.93,376 2.98,377 6.336,378 3.677,379 2.691,380 3.046,382 8.784,383 2.65,384 3.697,385 2.916,386 6.073,387 3.336,388 2.367,389 2.978,391 8.266,392 2.293,393 3.462,394 2.732,395 5.462,396 3.276,397 2.322,398 2.513,400 6.765,401 2.196,402 3.252,403 2.596,404 5.295,405 2.9,406 1.941,407 2.327,409 6.054,410 1.84,411 2.952,412 2.253,413 5.011,414 2.749,415 1.765,416 2.013,418 5.333,419 1.72,420 2.841,421 1.805,422 4.497,423 2.405,424 1.455,425 1.839,427 4.217,428 1.369,429 2.5,430 1.73,431 4.383,432 2.178,433 1.185,434 1.5,436 3.442,437 1.164,438 2.338,439 1.321,440 4,441 2,442 1,443 1.28,445 2.275,446 1,447 1.778,448 1.053,449 3.819,450 1.582,451 0.614,452 0.663,454 1.65,455 0.582,456 1.653,457 1,458 3.708,459 1.413,460 0.505,461 0.549,463 1.066,464 0.45,465 1.492,466 0.955,467 3.545,468 1.351,469 0.364,470 0.39,472 0.751,473 0.352,474 15.833,475 0.466,476 1.527,477 0.045,478 34,479 1,480 12.5,481 0.368,482 21.5,483 0.632,484 48.009,485 1.412,486 38.767,487 0.587,488 29.625,489 0.871,490 5.87,491 0.173,492 9.948,493 0.293,494 0.242,495 0.158,496 0.221,501 0.798,502 1.165,503 0.823,504 1.142,505 0.765,506 1.012,507 0.763,508 0.982,509 0.653,510 0.949,511 0.62,512 0.804,513 1.15,514 1.237,515 1.005,516 1.209,517 1.049,518 1.096,519 1.285,520 1.133,521 1.297,522 1.146,523 1.405,524 1.212,525 0.714,526 0.982,527 0.903,528 0.99,529 0.753,530 0.988,531 0.94,532 0.795,533 0.8,534 0.785,535 1.018,536 0.765,537 1.541,538 0.88,539 1.198,540 0.878,541 1.523,542 0.949,543 1.14,544 0.996,545 1.065,546 0.995,547 1.236,548 1.011,549 11.5,550 0.264,551 9.556,552 5.313,553 4.84,554 2.417,555 1.296,556 0.856,557 0.566,558 0.349,559 14440,560 37071,561 2.004,562 48.5,563 11,564 8,567 2,568 2,569 9,572 1.762,573 1.782,574 3.446,575 0.147,577 1,582 90.897,583 1.377,584 3.541,585 4.661,586 5.199,587 5.29,588 5.29,589 3.1,590 4.499,591 5.051,592 3.614,593 2027.28,594 8.877,595 28067.7,600 398.93,601 1.914,602 4.942,603 0.303,604 0.011,605 0.149,606 0.065,607 0.068,608 0.041,609 0.024,610 0.02,611 0.016,612 0.012,613 0.709,614 0.5,615 0.75,616 0.807,617 176.858,618 -0.054,619 0.026,620 0.042,621 0.034,622 -0.101,623 0.055,624 0.062,625 0.129,626 0.26,627 0.154,628 0.053,629 0.235,630 -0.077,631 -0.139,632 -0.054,633 -0.131,634 -0.029,635 -0.094,636 -0.106,637 -0.121,638 -0.299,639 -0.149,640 -0.118,641 -0.248,642 0.077,643 -0.039,644 0.07,645 -0.032,646 0.064,647 0.01,648 0.035,649 0.114,650 0.218,651 0.136,652 0.027,653 0.204,654 -0.119,655 0.074,656 -0.134,657 0.057,658 -0.102,659 -0.026,660 -0.021,661 -0.01,662 -0.06,663 -0.017,664 -0.058,665 -0.042,666 2.825,667 6.313,668 0.706,669 34.118,670 1.006,671 1.123,672 2.891,673 8.355,674 0.642,675 3.664,676 4.174,677 4.585,678 4.86,679 5.193,680 5.429,681 5.606,682 5.793,683 6.019,684 6.157,685 6.569,686 0.613,687 468.59,688 3.664,689 5.323,690 6.267,691 7.241,692 8.211,693 9.193,694 10.175,695 11.164,696 12.152,697 13.146,715 4,720 2,722 6,739 1,741 66,743 10,744 1,745 38,747 70,748 27,749 6,750 2,751 4,752 5,756 5,757 11,763 4,764 2,766 2,767 5,768 3,770 5,772 12,773 15,774 3,777 4,782 2,784 1,786 5,793 32,794 7,795 2,796 7,808 0.4,809 7,812 2,829 5,833 3,841 1,846 1,849 3,850 1,857 2,858 1,859 2,864 5,868 34,875 2,876 5,878 3,882 5,893 10.6,894 2,896 2,897 1,898 2,901 19.083,902 13.4,903 6.958,904 4.031,907 1.782,908 1.202,909 0.873,910 4.988,911 10.604,912 3.829,913 4.449,914 4.985,915 5.416,916 5.919,917 6.24,918 6.555,919 6.887,920 7.291,921 7.588,922 1,923 82,924 12.982,926 6.267,927 0.026,929 7.909,931 24.224,933 21.856,936 2.409,937 81.917,941 353.133,942 140.664,945 168.656,948 140.664,949 521.789,951 46.184,952 12.673,953 132.748,954 84.101,955 33.614,957 353.133,959 353.133,960 140.664,961 168.656,964 247.193,965 178.23,966 96.367,968 47.973,969 72.727,970 19.963,972 353.133,973 168.656,974 140.664,977 353.133,978 47.099,979 93.565,981 168.656,982 353.133,983 168.656,984 140.664,986 0.633,987 0.406,988 0.196,989 0.107,990 37,991 17,992 0.029,993 2,994 3,995 1.25,996 3.977,997 371.314,998 0.25,999 24,1000 166.974,1005 23.592,1006 7.189,1007 2.859,1009 168.656,1010 7.162,1015 1.391,1017 85.367,1018 662.453,1019 45,1024 25.908,1026 1.695,1028 0.401,1031 66.429,1032 74.109,1034 0.228,1035 0.586,1036 0.771,1037 0.86,1038 0.875,1039 0.875,1040 5.228,1041 1.941,1042 6.418,1043 6.765,1044 4.86,1045 5.136,1046 2.834,1047 7.528,1048 4.8,1049 6.528,1050 1.765,1051 8.203,1052 6.054,1053 5.094,1054 5.338,1055 2.036,1056 9.389,1057 5.008,1058 7.955,1059 1.455,1060 10.125,1061 5.333,1062 6.868,1063 7.335,1064 3.843,1065 12.644,1066 6.759,1067 9.419,1068 1.185,1069 12.135,1070 4.217,1071 7.867,1072 8.235,1073 3.746,1074 15.283,1075 7.733,1076 10.919,1077 1,1078 14.201,1079 3.442,1080 9.319,1081 9.854,1082 5.106,1083 18.298,1084 9.163,1085 12.446,1086 0.614,1087 16.307,1088 2.275,1089 10.587,1090 11.026,1091 5.379,1092 21.167,1093 10.407,1094 13.994,1095 0.505,1096 18.439,1097 1.65,1098 11.986,1099 12.522,1100 6.49,1101 24.143,1102 11.784,1103 4.256,1104 0.364,1105 20.592,1106 1.066,1107 13.35,1108 13.817,1109 6.973,1110 27.083,1111 13.124,1112 3.679,1113 19.966,1114 22.759,1115 0.751,1116 14.753,1117 15.266,1118 7.941,1119 30.058,1120 14.505,1121 3.065,1122 16.078,1123 24.937,1124 4.293,1125 16.154,1126 16.622,1127 8.548,1128 33.024,1129 15.883,1130 2.891,1131 11.659,1132 27.124,1133 3.985,1134 17.569,1135 18.055,1136 9.435,1137 36.003,1138 17.275,1139 2.691,1140 10.147,1141 29.317,1142 3.754,1143 18.988,1144 19.443,1145 10.114,1146 38.981,1147 18.671,1148 2.367,1149 8.784,1150 31.516,1151 3.564,1152 20.412,1153 20.871,1154 10.954,1155 41.964,1156 20.073,1157 2.322,1158 8.266,1159 33.719,1160 3.046,1161 21.84,1162 22.278,1163 11.675,1164 44.949,1165 21.478,1166 13803,1167 22224,1168 23.633,1169 42.364,1170 61.764,1171 64.232,1172 66.627,1173 60.841,1174 60.76,1175 70.02,1176 11.146,1177 214.18,1178 58.821,1179 6.263,1180 6.449,1181 8.863,1182 6.334,1183 6.256,1184 7.293,1185 3.853,1186 31.092,1187 6.157,1188 22.256,1189 1.625,1190 1.69,1191 1.753,1192 1.601,1193 1.599,1194 1.843,1195 0.293,1196 5.636,1197 1.548,1198 4.111,1199 4.128,1200 4.054,1201 4.013,1202 7.433,1203 4.019,1204 3.944,1205 3.959,1206 3.893,1207 3.869,1208 7.425,1209 3.871,1210 3.802,1211 3.818,1212 3.745,1213 3.685,1214 6.458,1215 3.696,1216 3.592,1217 3.617,1218 3.513,1219 3.456,1220 6.432,1221 3.461,1222 3.439,1223 3.509,1224 3.266,1225 3.302,1226 4.911,1227 3.283,1228 3.286,1229 3.338,1230 3.155,1231 3.099,1232 4.748,1233 3.101,1234 3.246,1235 3.306,1236 3.106,1237 3.052,1238 4.477,1239 3.049,1240 3.169,1241 3.242,1242 2.97,1243 2.937,1244 4.256,1245 2.932,1246 0.139,1247 0.117,1248 0.245,1249 0.138,1250 0.112,1251 5.263,1252 0.113,1253 4.449,1254 0.057,1255 9.312,1256 0.525,1257 5.233,1258 0.109,1259 4.256,1260 4.293,1261 2.178,1262 19.966,1263 4.157,1264 2.041,1265 2.022,1266 2.164,1267 2.16,1268 1.587,1269 2.16,1270 1.921,1271 1.905,1272 2.017,1273 2.02,1274 1.209,1275 2.017,1276 1.76,1277 1.742,1278 1.911,1279 1.906,1280 1.112,1281 1.904,1282 1.557,1283 1.526,1284 1.759,1285 1.727,1286 1.054,1287 1.727,1288 1.462,1289 1.396,1290 1.732,1291 1.648,1292 0.93,1293 1.687,1294 1.246,1295 1.194,1296 1.573,1297 1.514,1298 0.742,1299 1.533,1300 1.232,1301 1.166,1302 1.566,1303 1.47,1304 0.689,1305 1.502,1306 1.157,1307 1.078,1308 1.518,1309 1.414,1310 0.589,1311 1.447,1312 4.344,1314 5.808,1316 7.502,1318 9.307,1320 11.176,1322 8.767,1327 24.285,1328 1.189,1330 17.277,1334 -6.159,1340 40.432,1341 90.897,1342 233.714,1343 307.646,1344 343.156,1345 349.156,1346 349.156,1347 109.034,1348 8.822,1349 106.2,1350 106.2,1351 30,1352 13.61,1353 3.459,1354 3,1355 50.007,1356 136,1357 180,1358 0.192,1359 240.279,1360 446.01,1361 578.04,1362 83019,1364 24.734,1365 0.727,1366 0.599,1367 24.734,1368 20.358,1369 15.817,1370 0.416,1371 0.311,1372 11.649,1373 15.189,1374 11.164,1375 9.155,1376 15.817,1377 11.804,1378 16.448,1379 0.257,1380 0.173,1381 16.448,1382 11.08,1383 15.785,1384 0.163,1385 0.097,1386 15.785,1387 9.399,1388 12.029,1389 0.094,1390 0.053,1391 12.029,1392 6.812,1393 10.053,1394 0.056,1395 0.028,1396 10.053,1397 4.963,1398 0.292,1399 99.752,1400 0.206,1401 30.51,1402 0.553,1403 204,1404 566.977,1405 225.922,1406 529.943,1407 720.67,1408 492,1409 263,1410 536.424,1411 287.03,1412 537.95,1413 808.15,1414 504,1415 7.222}
{0 CHEMBL184316,1 1.23,2 17.56,3 6.923,4 47.929,5 105.873,6 5.26,8 4.213,9 4.369,10 3.412,11 3.64,12 5.033,13 3.543,14 4.836,15 5.076,16 3.553,17 4,18 5.608,19 3.817,20 5.146,21 5.468,22 3.508,23 4.101,24 5.727,25 3.866,26 5.101,27 5.415,28 3.478,29 4.038,30 5.756,31 3.817,32 5.038,33 5.349,34 3.429,35 3.981,36 5.705,37 3.766,38 4.979,39 5.285,40 3.385,41 3.934,42 5.668,43 3.72,44 4.94,45 5.246,46 3.289,47 3.891,48 5.605,49 3.669,50 4.884,51 5.2,52 3.228,53 3.857,54 5.483,55 3.62,56 0.094,57 0.843,58 17.244,59 6.896,60 8.293,61 9.934,62 0.427,63 1.253,64 28.854,65 10.666,66 34.85,67 15.696,68 0.31,69 1.421,70 34.687,71 12.291,72 27.229,73 18.617,74 0.359,75 1.339,76 33.758,77 11.332,78 34.375,79 17.329,80 0.35,81 1.258,82 31.861,83 10.669,84 32.957,85 16.272,86 0.321,87 1.19,88 30.146,89 10.268,90 34.493,91 15.532,92 0.327,93 1.14,94 28.801,95 9.844,96 32,97 14.88,98 0.248,99 1.104,100 26.786,101 9.603,102 23.491,103 14.47,104 53,105 24,106 0.202,107 0.31,108 0.469,109 0.594,110 0.664,111 0.729,112 3.263,113 1.353,114 -5.04,115 -4.94,116 -4.63,121 30.9,122 1,123 16,127 3,161 1,176 15,179 1,180 1,183 2,185 2,187 13,192 1,197 2,200 11,206 4,211 3,214 10,219 4,224 2,227 9,232 4,237 2,239 9,244 2,249 2,251 9,256 2,261 2,264 9,269 2,274 2,277 8,281 1245,282 17.297,283 17.297,284 17.297,285 17.297,286 17.297,287 17.142,288 8.334,289 12.128,290 17.528,291 11.881,292 11.881,293 11.881,294 11.881,295 11.881,296 11.578,297 6.257,298 5.881,299 12.211,300 4.858,301 4.201,302 3.232,303 2.471,304 2.047,305 1.651,306 3.905,312 1,313 831,314 4.899,325 2.938,326 18.079,329 1,330 0.83,331 0.83,332 0.4,333 1,334 0.83,335 0.5,336 0.77,337 53.5,338 439,339 3.659,340 3.637,341 5.035,342 3.32,343 2.382,344 2.828,345 2.186,346 6.092,347 2.207,348 2.97,349 2.032,350 3.968,351 2.967,352 1.969,353 1.97,354 0.366,355 3.935,356 1.966,357 2.88,358 1.969,359 3.877,360 2.873,361 1.877,362 1.88,364 3.743,365 1.869,366 2.739,367 1.873,368 3.737,369 2.725,370 1.737,371 1.739,373 3.445,374 1.715,375 2.635,376 1.783,377 3.608,378 2.598,379 1.618,380 1.631,382 3.14,383 1.582,384 2.529,385 1.71,386 3.481,387 2.498,388 1.507,389 1.524,391 2.923,392 1.49,393 2.298,394 1.497,395 3.26,396 2.262,397 1.283,398 1.292,400 2.482,401 1.251,402 2.03,403 1.236,404 3.009,405 1.987,406 1.021,407 1.025,409 1.946,410 0.98,411 1.781,412 1.046,413 2.766,414 1.726,415 0.771,416 0.773,418 1.409,419 0.732,420 1.695,421 0.933,422 2.528,423 1.598,424 0.618,425 0.638,427 1.06,428 0.601,429 1.403,430 0.618,431 2.266,432 1.327,433 0.361,434 0.368,436 0.647,437 0.345,438 1.081,439 0.32,440 2,441 1.008,442 0.047,443 0.047,445 0.085,446 0.045,447 0.782,448 0.095,449 1.739,450 0.7,451 -0.26,452 -0.26,454 -0.463,455 -0.249,456 0.736,457 -0.128,458 1.5,459 0.588,460 -0.413,461 -0.437,463 -0.684,464 -0.406,465 0.442,466 -0.349,467 1.33,468 0.364,469 -0.618,470 -0.646,472 -1.156,473 -0.604,474 11.9,475 0.476,476 0.106,477 0.004,478 15,479 0.6,480 1.5,481 0.06,482 13.5,483 0.54,484 31.323,485 1.253,486 33.1,487 0.487,488 6.467,489 0.259,490 1.712,491 0.068,492 10.596,493 0.424,494 0.098,496 0.042,501 0.875,502 1.645,503 1.258,504 1.58,505 0.745,506 1.476,507 0.699,508 1.413,509 1.272,510 1.442,511 0.585,512 1.428,513 0.725,514 1.001,515 0.895,516 0.993,517 0.625,518 0.968,519 1.05,520 0.972,521 0.983,522 0.96,523 1.01,524 0.962,525 1.125,526 0.943,527 1.008,528 0.949,529 1.08,530 0.96,531 1.124,532 0.992,533 1.016,534 0.999,535 1.096,536 0.997,537 1.207,538 0.955,539 1.064,540 0.967,541 1.191,542 0.998,543 0.796,544 1.013,545 0.972,546 1.024,547 0.78,548 1.02,549 1.5,550 0.033,551 0.667,552 0.375,553 0.24,554 0.167,555 0.082,556 0.062,557 0.049,558 0.04,559 8864,560 16493,561 1.87,562 63.2,563 29,564 6,567 2,569 6,572 1.666,573 1.807,574 4.115,575 0.194,582 83.625,583 1.23,584 1.887,585 2.855,586 3.617,587 4.041,588 4.437,589 3.574,590 4.164,591 4.611,592 4.275,593 1282.44,594 7.903,595 19836.8,600 413.947,601 0.764,602 4.611,603 0.063,604 0.002,605 0.028,606 0.016,607 0.011,608 0.008,609 0.004,610 0.003,611 0.003,612 0.002,613 0.141,614 0.33,615 0.88,616 3.574,617 131.991,618 -0.02,619 -0.098,620 -0.014,621 -0.071,622 -0.014,623 -0.046,624 0.203,625 -0.173,626 -0.175,627 -0.222,628 0.123,629 -0.244,630 0.012,631 -0.029,632 0.041,633 -0.008,634 0.009,635 0.017,636 -0.051,637 -0.002,638 -0.002,639 0.004,640 -0.042,641 0.007,642 -0.068,643 0.032,644 -0.015,645 0.016,646 -0.055,647 0.01,648 -0.06,649 -0.014,650 -0.021,651 -0.011,652 -0.028,653 -0.011,654 -0.106,655 0.017,656 -0.066,657 0.013,658 -0.085,659 -0.019,660 -0.027,661 -0.024,662 -0.024,663 -0.023,664 -0.025,665 -0.023,666 1.929,667 4.322,669 37.296,670 0.98,671 1.145,672 3.814,673 14.547,674 0.579,675 3.219,676 3.219,677 3.178,678 3.135,679 3.091,680 3.045,681 2.944,682 2.89,683 2.833,684 2.773,685 10.027,686 0.518,687 357.65,688 3.219,689 4.575,690 5.252,691 5.948,692 6.637,693 7.339,694 8.033,695 8.738,696 9.435,697 10.142,698 1.5,705 1,741 68,743 1,745 24,747 67,748 21,763 2,770 16,772 1,773 20,777 1,782 1,786 1,793 43,794 4,795 2,796 4,802 1,809 3,810 1,856 1,857 1,864 1,868 25,875 1,876 19,877 1,878 1,893 4.4,894 1,896 1,898 1,901 13.833,902 11.533,903 6.417,904 5.204,907 0.071,908 1.012,909 0.854,910 21.219,911 5.858,912 3.258,913 3.296,914 3.258,915 3.219,916 3.178,917 3.135,918 2.996,919 2.944,920 2.89,921 2.833,922 0.917,923 23,924 9.35,926 3.456,927 0.026,929 7.547,931 18.948,933 14.394,936 2.047,937 51.167,938 0.001,941 482.615,942 62.838,943 18.011,945 78.828,948 62.838,949 561.443,950 18.011,951 8.825,952 65.261,953 42.683,954 25.145,955 11,956 6.763,957 482.615,959 482.615,960 80.849,961 78.828,964 411.989,965 106.771,966 42.683,968 74.087,969 6.763,972 482.615,973 96.839,974 62.838,977 482.615,978 54.013,979 8.825,980 18.011,981 78.828,982 482.615,983 96.839,984 62.838,986 0.497,987 0.248,988 0.118,989 0.059,990 1,991 1,992 0.299,993 20,996 4.164,997 140.133,1000 116.096,1005 24.558,1006 21.601,1007 21.516,1009 96.839,1017 60.694,1018 642.292,1019 25,1024 11.322,1028 -0.262,1031 66.639,1032 77.846,1034 0.202,1035 0.31,1036 0.469,1037 0.594,1038 0.664,1039 0.729,1040 4.331,1041 1.021,1042 5.004,1043 2.482,1044 3.892,1045 3.97,1046 2.255,1047 5.352,1048 3.838,1049 5.236,1050 0.771,1051 6.26,1052 1.946,1053 1.946,1054 2.565,1055 1.784,1056 4.691,1057 1.822,1058 6.299,1059 0.618,1060 7.593,1061 1.409,1062 5.03,1063 5.263,1064 3.49,1065 8.167,1066 4.91,1067 7.382,1068 0.361,1069 8.981,1070 1.06,1071 3.932,1072 4.949,1073 3.59,1074 8.69,1075 3.621,1076 8.509,1077 0.047,1078 10.41,1079 0.647,1080 6.337,1081 6.834,1082 4.905,1083 11.319,1084 6.13,1085 9.664,1086 -0.26,1087 11.875,1088 0.085,1089 5.82,1090 7.162,1091 5.289,1092 12.466,1093 5.33,1094 10.846,1095 -0.413,1096 13.368,1097 -0.463,1098 7.75,1099 8.616,1100 6.387,1101 14.692,1102 7.432,1103 2.382,1104 -0.618,1105 14.887,1106 -0.684,1107 7.647,1108 9.302,1109 6.93,1110 16.161,1111 6.986,1112 1.969,1113 6.092,1114 16.426,1115 -1.156,1116 9.245,1117 10.54,1118 7.902,1119 18.188,1120 8.791,1121 1.877,1122 3.935,1123 17.982,1124 2.828,1125 9.44,1126 11.41,1127 8.539,1128 19.819,1129 8.616,1130 1.737,1131 3.743,1132 19.552,1133 1.97,1134 10.805,1135 12.543,1136 9.436,1137 21.744,1138 10.194,1139 1.618,1140 3.445,1141 21.132,1142 1.88,1143 11.213,1144 13.503,1145 10.13,1146 23.457,1147 10.229,1148 1.507,1149 3.14,1150 22.721,1151 1.739,1152 12.417,1153 14.587,1154 10.981,1155 25.33,1156 11.632,1157 1.283,1158 2.923,1159 24.316,1160 1.631,1161 12.973,1162 15.589,1163 11.71,1164 27.085,1165 11.833,1166 9535,1167 13129,1168 15.655,1169 39.359,1170 30.398,1171 31.528,1172 31.069,1173 30.38,1174 30.381,1175 31.429,1176 5.105,1177 61.809,1178 29.564,1179 4.642,1180 5.604,1181 5.028,1182 4.368,1183 4.366,1184 4.822,1185 3.889,1186 10.769,1187 4.176,1188 12.404,1189 1.267,1190 1.314,1191 1.295,1192 1.266,1193 1.266,1194 1.31,1195 0.213,1196 2.575,1197 1.232,1198 3.857,1199 3.92,1200 3.698,1201 3.733,1202 7.435,1203 3.714,1204 3.757,1205 3.818,1206 3.613,1207 3.624,1208 6.456,1209 3.606,1210 3.717,1211 3.785,1212 3.56,1213 3.55,1214 4.477,1215 3.54,1216 3.642,1217 3.71,1218 3.465,1219 3.503,1220 4.233,1221 3.484,1222 3.526,1223 3.587,1224 3.361,1225 3.352,1226 4.197,1227 3.339,1228 3.416,1229 3.477,1230 3.253,1231 3.185,1232 4.108,1233 3.193,1234 3.301,1235 3.383,1236 3.097,1237 3.087,1238 3.971,1239 3.086,1240 3.144,1241 3.229,1242 2.912,1243 2.934,1244 3.869,1245 2.914,1246 0.152,1247 0.152,1248 0.21,1249 0.138,1250 0.099,1251 3.659,1252 0.118,1253 3.637,1254 0.091,1255 5.035,1256 0.254,1257 3.32,1258 0.092,1259 2.382,1260 2.828,1261 2.186,1262 6.092,1263 2.207,1264 1.839,1265 1.779,1266 2.084,1267 1.992,1268 1.452,1269 2.026,1270 1.772,1271 1.712,1272 2.025,1273 1.942,1274 1.384,1275 1.971,1276 1.703,1277 1.635,1278 1.972,1279 1.906,1280 1.276,1281 1.928,1282 1.662,1283 1.598,1284 1.931,1285 1.842,1286 1.254,1287 1.875,1288 1.523,1289 1.458,1290 1.809,1291 1.734,1292 1.134,1293 1.759,1294 1.368,1295 1.304,1296 1.669,1297 1.634,1298 0.968,1299 1.64,1300 1.288,1301 1.209,1302 1.605,1303 1.544,1304 0.789,1305 1.574,1306 1.153,1307 1.068,1308 1.508,1309 1.41,1310 0.753,1311 1.446,1312 3.892,1314 4.977,1316 6.188,1318 7.46,1320 8.767,1322 2.107,1327 8.706,1328 21.389,1329 2.765,1330 5.14,1340 35.229,1341 83.625,1342 128.288,1343 194.173,1344 245.934,1345 274.754,1346 301.683,1347 141.26,1348 5.787,1349 58.56,1350 58.56,1352 10.824,1353 1,1354 1,1355 134.221,1356 151,1357 144,1358 0.406,1359 228.065,1360 406.59,1361 548.239,1362 2510,1364 18.427,1365 0.737,1366 0.668,1367 18.427,1368 16.699,1369 12.308,1370 0.513,1371 0.451,1372 10.735,1373 11.945,1374 10.518,1375 8.94,1376 12.308,1377 10.824,1378 8.693,1379 0.362,1380 0.295,1381 8.693,1382 7.09,1383 5.851,1384 0.254,1385 0.199,1386 5.851,1387 4.585,1388 3.928,1389 0.179,1390 0.133,1391 3.928,1392 2.918,1393 2.62,1394 0.125,1395 0.089,1396 2.62,1397 1.876,1398 0.709,1399 76.495,1400 0.253,1401 26.618,1402 0.947,1403 96,1404 239.954,1405 105.249,1406 219.961,1407 279.1,1408 206,1409 95,1410 176.296,1411 102.147,1412 174.418,1413 245.64,1414 164,1415 6.886}
{0 CHEMBL184946,1 1.332,2 19.143,3 6.802,4 46.267,5 114.067,6 5.565,8 4.281,9 4.434,10 3.538,11 3.681,12 5.154,13 3.605,14 4.898,15 5.133,16 3.713,17 4.025,18 5.783,19 3.868,20 5.177,21 5.488,22 3.66,23 4.117,24 5.834,25 3.917,26 5.138,27 5.434,28 3.644,29 4.046,30 5.92,31 3.873,32 5.066,33 5.355,34 3.598,35 3.988,36 5.867,37 3.825,38 5.007,39 5.285,40 3.562,41 3.955,42 5.84,43 3.79,44 4.987,45 5.268,46 3.44,47 3.932,48 5.77,49 3.749,50 4.939,51 5.24,52 3.38,53 3.928,54 5.599,55 3.716,56 0.078,57 0.898,58 18.284,59 6.92,60 7.429,61 10.128,62 0.669,63 1.293,64 31.722,65 10.665,66 52.347,67 16.005,68 0.397,69 1.438,70 38.034,71 12.119,72 32.665,73 18.912,74 0.521,75 1.348,76 37.687,77 10.861,78 49.7,79 17.244,80 0.512,81 1.261,82 35.382,83 10.194,84 47.506,85 16.066,86 0.455,87 1.2,88 33.445,89 10.06,90 50.622,91 15.558,92 0.494,93 1.175,94 32.491,95 9.878,96 48.228,97 15.236,98 0.321,99 1.176,100 30.046,101 10.062,102 29.585,103 15.446,104 64,105 28,106 0.215,107 0.333,108 0.521,109 0.64,110 0.681,111 0.715,112 3.371,113 1.279,114 -4.41,115 -4.34,116 -4.09,121 30.6,122 2,123 14,127 4,161 2,176 13,179 2,180 2,183 4,185 2,187 10,192 2,197 2,200 7,206 8,211 4,214 6,219 8,224 2,227 5,232 8,237 2,239 6,244 4,249 2,251 7,256 4,261 2,264 8,269 4,274 2,277 7,281 1680,282 19.159,283 19.159,284 19.159,285 19.159,286 19.159,287 18.849,288 14.51,289 13.186,290 19.544,291 13.347,292 13.347,293 13.347,294 13.347,295 13.347,296 12.743,297 12.515,298 6.367,299 13.877,300 4.838,301 4.108,302 2.946,303 2.209,304 1.952,305 1.743,306 4.016,312 1,313 1020,314 5.292,325 3.143,326 25.322,329 1,330 0.83,331 0.83,332 0.8,333 1,334 0.83,335 0.5,336 0.83,337 61,338 536,339 3.659,340 3.637,341 5.035,342 3.32,343 2.382,344 2.828,345 2.186,346 6.092,347 2.208,348 3.659,349 3.637,350 5.035,351 3.32,352 2.382,353 2.828,354 2.186,355 6.092,356 2.207,357 2.95,358 2.041,359 3.952,360 2.944,361 1.946,362 1.95,363 0.366,364 3.9,365 1.941,366 2.809,367 2.015,368 3.822,369 2.791,370 1.802,371 1.808,372 0.366,373 3.622,374 1.781,375 2.657,376 1.846,377 3.672,378 2.625,379 1.653,380 1.656,382 3.266,383 1.603,384 2.63,385 1.783,386 3.592,387 2.586,388 1.601,389 1.624,391 3.086,392 1.571,393 2.549,394 1.776,395 3.492,396 2.499,397 1.502,398 1.538,400 2.929,401 1.492,402 2.281,403 1.582,404 3.274,405 2.22,406 1.247,407 1.267,409 2.485,410 1.206,411 1.961,412 1.254,413 3.018,414 1.895,415 0.948,416 0.952,418 1.877,419 0.89,420 1.769,421 1.048,422 2.793,423 1.694,424 0.74,425 0.747,427 1.337,428 0.701,429 1.737,430 1.042,431 2.589,432 1.623,433 0.642,434 0.669,436 1.087,437 0.625,438 1.553,439 0.867,440 2.361,441 1.419,442 0.445,443 0.467,445 0.813,446 0.428,447 1.187,448 0.501,449 2.118,450 1.064,451 0.106,452 0.109,454 0.208,455 0.1,456 0.827,457 0.24,458 1.884,459 0.72,460 -0.236,461 -0.237,463 -0.442,464 -0.225,465 0.764,466 0.074,467 1.654,468 0.607,469 -0.385,470 -0.402,472 -0.627,473 -0.377,474 13.133,475 0.469,476 0.212,477 0.008,478 19,479 0.679,480 3,481 0.107,482 16,483 0.571,484 33.791,485 1.207,486 36.667,487 0.509,488 10.918,489 0.39,490 2.747,491 0.098,492 10.955,493 0.391,494 0.127,496 0.076,501 0.797,502 1.748,503 1.15,504 1.631,505 0.58,506 1.459,507 0.607,508 1.336,509 1.166,510 1.378,511 0.432,512 1.36,513 0.808,514 1.02,515 0.875,516 0.998,517 0.667,518 0.952,519 1.31,520 0.965,521 1.039,522 0.933,523 1.298,524 0.943,525 1.426,526 0.911,527 1.087,528 0.913,529 1.407,530 0.941,531 1.407,532 1.01,533 1.1,534 1.017,535 1.411,536 1.018,537 1.498,538 0.94,539 1.182,540 0.955,541 1.525,542 1.021,543 0.824,544 1.051,545 1.005,546 1.072,547 0.807,548 1.067,549 2.5,550 0.05,551 1.111,552 0.625,553 0.4,554 0.278,555 0.122,556 0.094,557 0.074,558 0.06,559 12291,560 26105,561 1.865,562 61.1,563 26,564 8,567 2,569 8,572 1.697,573 1.787,574 4.223,575 0.212,582 95.912,583 1.332,584 2.062,585 3.224,586 3.961,587 4.218,588 4.427,589 3.664,590 3.807,591 4.776,592 4.399,593 1662.67,594 8.234,595 28357.4,600 444.235,601 0.946,602 4.764,603 0.093,604 0.003,605 0.04,606 0.023,607 0.015,608 0.011,609 0.005,610 0.004,611 0.004,612 0.003,613 0.201,614 0.17,615 0.88,616 3.664,617 153.554,618 -0.003,619 -0.194,620 0.007,621 -0.142,622 0.011,623 -0.073,624 0.345,625 -0.118,626 -0.102,627 -0.196,628 0.234,629 -0.218,630 0.005,631 -0.054,632 0.07,633 -0.014,634 0.008,635 0.032,636 -0.112,637 -0.004,638 -0.018,639 0.01,640 -0.093,641 0.011,642 -0.146,643 0.065,644 -0.045,645 0.035,646 -0.116,647 0.016,648 -0.129,649 -0.023,650 -0.058,651 -0.021,652 -0.069,653 -0.028,654 -0.197,655 0.036,656 -0.141,657 0.028,658 -0.161,659 -0.042,660 -0.048,661 -0.04,662 -0.053,663 -0.044,664 -0.041,665 -0.049,666 1.948,667 4.345,669 44.571,670 0.987,671 1.147,672 3.178,673 10.099,674 0.581,675 3.332,676 3.367,677 3.332,678 3.296,679 3.258,680 3.219,681 3.091,682 3.045,683 2.996,684 2.944,685 10.925,686 0.527,687 400.68,688 3.332,689 4.71,690 5.398,691 6.111,692 6.812,693 7.531,694 8.237,695 8.958,696 9.666,697 10.389,698 2.8,705 2,741 72,743 2,745 27,747 71,748 22,763 2,770 14,772 2,773 20,777 2,782 2,786 2,793 44,794 6,795 2,796 6,802 2,809 4,856 2,864 2,868 28,876 18,877 2,878 2,893 5.6,896 2,898 2,901 15.667,902 12.667,903 7.083,904 5.458,907 0.127,908 1.021,909 0.865,910 21.837,911 6.136,912 3.401,913 3.497,914 3.466,915 3.434,916 3.401,917 3.367,918 3.178,919 3.135,920 3.091,921 3.045,922 0.923,923 27,924 10.455,926 3.887,927 0.026,929 7.655,931 20.75,933 15.454,936 2.155,937 60.333,941 494.386,942 80.055,943 36.022,945 72.29,948 80.055,949 566.676,950 36.022,951 17.65,952 84.901,954 50.29,955 22,956 13.525,957 494.386,959 494.386,960 116.077,961 72.29,964 400.217,965 166.458,968 102.552,969 13.525,972 494.386,973 108.311,974 80.055,977 494.386,978 62.405,979 17.65,980 36.022,981 72.29,982 494.386,983 108.311,984 80.055,986 0.507,987 0.254,988 0.12,989 0.061,990 2,991 2,992 0.296,993 21,996 4.432,997 166.454,1000 106.606,1005 27.195,1006 22.484,1007 22.383,1009 108.311,1017 36.022,1018 682.752,1019 29,1024 22.69,1028 -0.563,1031 71.068,1032 82.553,1034 0.216,1035 0.334,1036 0.523,1037 0.642,1038 0.684,1039 0.717,1040 4.5,1041 1.247,1042 5.187,1043 2.929,1044 4.043,1045 4.174,1046 2.894,1047 5.595,1048 3.963,1049 5.455,1050 0.948,1051 6.488,1052 2.485,1053 2.565,1054 3.219,1055 2.389,1056 5.38,1057 2.431,1058 6.565,1059 0.74,1060 7.874,1061 1.877,1062 5.242,1063 5.595,1064 4.168,1065 8.576,1066 5.058,1067 7.701,1068 0.642,1069 9.316,1070 1.337,1071 4.615,1072 5.638,1073 4.269,1074 9.383,1075 4.301,1076 8.879,1077 0.445,1078 10.8,1079 1.087,1080 6.624,1081 7.3,1082 5.594,1083 11.866,1084 6.315,1085 10.083,1086 0.106,1087 12.316,1088 0.813,1089 6.512,1090 7.854,1091 5.979,1092 13.159,1093 6.02,1094 11.309,1095 -0.236,1096 13.856,1097 0.208,1098 8.119,1099 9.186,1100 7.079,1101 15.319,1102 7.666,1103 2.382,1104 -0.385,1105 15.415,1106 -0.442,1107 8.34,1108 9.995,1109 7.623,1110 16.854,1111 7.679,1112 2.382,1113 6.092,1114 16.988,1115 -0.627,1116 9.691,1117 11.171,1118 8.595,1119 18.853,1120 9.08,1121 1.946,1122 6.092,1123 18.572,1124 2.828,1125 10.133,1126 12.103,1127 9.232,1128 20.512,1129 9.309,1130 1.802,1131 3.9,1132 20.164,1133 2.828,1134 11.318,1135 13.207,1136 10.129,1137 22.426,1138 10.54,1139 1.653,1140 3.622,1141 21.762,1142 1.95,1143 11.906,1144 14.196,1145 10.823,1146 24.15,1147 10.922,1148 1.601,1149 3.266,1150 23.364,1151 1.808,1152 12.982,1153 15.266,1154 11.675,1155 26.018,1156 12.034,1157 1.502,1158 3.086,1159 24.971,1160 1.656,1161 13.666,1162 16.282,1163 12.403,1164 27.778,1165 12.526,1166 13130,1167 19280,1168 17.446,1169 41.819,1170 34.877,1171 36.584,1172 35.58,1173 34.769,1174 34.792,1175 36.889,1176 10.21,1177 73.591,1178 33.509,1179 4.645,1180 5.583,1181 4.994,1182 4.373,1183 4.369,1184 4.828,1185 3.889,1186 10.769,1187 4.159,1188 15.338,1189 1.292,1190 1.355,1191 1.318,1192 1.288,1193 1.289,1194 1.366,1195 0.378,1196 2.726,1197 1.241,1198 3.849,1199 3.91,1200 3.699,1201 3.714,1202 7.437,1203 3.697,1204 3.739,1205 3.796,1206 3.616,1207 3.57,1208 7.433,1209 3.561,1210 3.723,1211 3.792,1212 3.577,1213 3.556,1214 4.489,1215 3.545,1216 3.673,1217 3.745,1218 3.498,1219 3.528,1220 4.463,1221 3.512,1222 3.562,1223 3.619,1224 3.399,1225 3.384,1226 4.204,1227 3.375,1228 3.453,1229 3.502,1230 3.317,1231 3.194,1232 4.19,1233 3.217,1234 3.373,1235 3.442,1236 3.215,1237 3.112,1238 4.176,1239 3.137,1240 3.249,1241 3.34,1242 3.036,1243 3.043,1244 3.993,1245 3.032,1246 0.136,1247 0.135,1248 0.186,1249 0.123,1250 0.088,1251 3.659,1252 0.105,1253 3.637,1254 0.081,1255 5.035,1256 0.226,1257 3.32,1258 0.082,1259 2.382,1260 2.828,1261 2.186,1262 6.092,1263 2.208,1264 1.825,1265 1.765,1266 2.071,1267 1.983,1268 1.437,1269 2.015,1270 1.724,1271 1.664,1272 1.98,1273 1.927,1274 1.327,1275 1.942,1276 1.702,1277 1.633,1278 1.972,1279 1.908,1280 1.255,1281 1.928,1282 1.694,1283 1.624,1284 1.967,1285 1.874,1286 1.254,1287 1.91,1288 1.55,1289 1.489,1290 1.828,1291 1.765,1292 1.155,1293 1.784,1294 1.373,1295 1.318,1296 1.655,1297 1.659,1298 0.941,1299 1.652,1300 1.306,1301 1.236,1302 1.609,1303 1.598,1304 0.756,1305 1.603,1306 1.255,1307 1.166,1308 1.594,1309 1.504,1310 0.754,1311 1.542,1312 4.007,1314 5.118,1316 6.358,1318 7.659,1320 8.995,1322 4.195,1328 18.235,1329 5.508,1330 10.269,1340 37.965,1341 95.912,1342 148.454,1343 232.119,1344 285.215,1345 303.705,1346 318.725,1347 177.138,1348 6.009,1349 76.66,1350 76.66,1352 11.058,1353 1.585,1354 1.585,1355 163.587,1356 186,1357 166,1358 0.402,1359 245.521,1360 441.04,1361 590.831,1362 3444,1364 20.711,1365 0.74,1366 0.656,1367 20.711,1368 18.361,1369 13.702,1370 0.507,1371 0.426,1372 11.38,1373 13.155,1374 11.131,1375 9.478,1376 13.702,1377 11.515,1378 10.022,1379 0.358,1380 0.263,1381 10.022,1382 7.368,1383 6.745,1384 0.25,1385 0.171,1386 6.745,1387 4.604,1388 4.528,1389 0.174,1390 0.107,1391 4.528,1392 2.785,1393 3.012,1394 0.12,1395 0.069,1396 3.012,1397 1.718,1398 0.703,1399 86.091,1400 0.239,1401 29.233,1402 0.937,1403 110,1404 333.608,1405 125.619,1406 302.113,1407 385.86,1408 282,1409 110,1410 253.562,1411 122.3,1412 247.681,1413 352.32,1414 232,1415 6.796}
{0 CHEMBL185000,1 1.358,2 17.615,3 5.89,4 34.687,5 104.865,6 5.646,8 4.198,9 4.349,10 3.467,11 3.588,12 5.091,13 3.518,14 4.81,15 5.044,16 3.646,17 3.925,18 5.725,19 3.775,20 5.078,21 5.386,22 3.587,23 4.01,24 5.759,25 3.819,26 5.035,27 5.327,28 3.57,29 3.931,30 5.852,31 3.771,32 4.955,33 5.238,34 3.521,35 3.866,36 5.795,37 3.718,38 4.889,39 5.159,40 3.482,41 3.828,42 5.766,43 3.679,44 4.866,45 5.14,46 3.348,47 3.802,48 5.69,49 3.633,50 4.812,51 5.108,52 3.282,53 3.797,54 5.504,55 3.595,56 0.066,57 0.82,58 16.739,59 6.236,60 6.334,61 9.16,62 0.651,63 1.167,64 29.216,65 9.557,66 50.719,67 14.428,68 0.383,69 1.284,70 34.922,71 10.758,72 31.507,73 16.955,74 0.512,75 1.195,76 34.546,77 9.502,78 49.29,79 15.274,80 0.503,81 1.109,82 32.207,83 8.838,84 47.029,85 14.087,86 0.443,87 1.049,88 30.237,89 8.704,90 49.838,91 13.578,92 0.487,93 1.024,94 29.315,95 8.522,96 48.151,97 13.256,98 0.306,99 1.025,100 26.864,101 8.707,102 28.566,103 13.474,104 60,105 26,106 0.224,107 0.351,108 0.549,109 0.67,110 0.708,111 0.728,112 3.301,113 1.262,114 -3.97,115 -3.92,116 -3.72,121 30.3,122 2,123 12,127 4,161 2,176 11,179 2,180 2,183 4,185 2,187 8,192 2,197 2,200 5,206 8,211 4,214 4,219 8,224 2,227 3,232 8,237 2,239 4,244 4,249 2,251 5,256 4,261 2,264 6,269 4,274 2,277 6,281 1336,282 17.744,283 17.744,284 17.744,285 17.744,286 17.744,287 17.435,288 14.51,289 12.186,290 18.13,291 12.347,292 12.347,293 12.347,294 12.347,295 12.347,296 11.743,297 12.515,298 5.867,299 12.877,300 4.687,301 3.916,302 2.713,303 1.978,304 1.75,305 1.629,306 3.941,312 1,313 868,314 5.099,325 2.876,326 25.064,329 1,330 0.83,331 0.83,332 0.8,333 1,334 0.83,335 0.5,336 0.83,337 57,338 458,339 3.659,340 3.637,341 5.035,342 3.32,343 2.382,344 2.828,345 2.186,346 6.092,347 2.208,348 3.659,349 3.637,350 5.035,351 3.32,352 2.382,353 2.828,354 2.186,355 6.092,356 2.207,357 2.932,358 2.045,359 3.936,360 2.923,361 1.926,362 1.932,363 0.366,364 3.865,365 1.919,366 2.75,367 2.003,368 3.773,369 2.725,370 1.745,371 1.75,372 0.366,373 3.506,374 1.709,375 2.642,376 1.799,377 3.634,378 2.603,379 1.627,380 1.639,382 3.166,383 1.584,384 2.618,385 1.782,386 3.56,387 2.569,388 1.577,389 1.61,391 3.033,392 1.559,393 2.428,394 1.753,395 3.393,396 2.366,397 1.383,398 1.414,400 2.736,401 1.353,402 2.079,403 1.428,404 3.113,405 2.002,406 1.052,407 1.064,409 2.096,410 0.991,411 1.786,412 1.06,413 2.852,414 1.719,415 0.775,416 0.778,418 1.438,419 0.726,420 1.746,421 1.044,422 2.632,423 1.64,424 0.664,425 0.688,427 1.121,428 0.643,429 1.618,430 0.985,431 2.391,432 1.466,433 0.49,434 0.518,436 0.87,437 0.472,438 1.213,439 0.563,440 2.127,441 1.073,442 0.12,443 0.124,445 0.234,446 0.113,447 0.81,448 0.256,449 1.875,450 0.693,451 -0.259,452 -0.26,454 -0.474,455 -0.246,456 0.763,457 0.078,458 1.627,459 0.604,460 -0.392,461 -0.413,463 -0.635,464 -0.384,465 0.734,466 -0.113,467 1.451,468 0.555,469 -0.463,470 -0.518,472 -0.828,473 -0.463,474 12.133,475 0.467,476 0.212,477 0.008,478 18,479 0.692,480 3,481 0.115,482 15,483 0.577,484 30.044,485 1.156,486 34.067,487 0.516,488 10.724,489 0.412,490 2.747,491 0.106,492 9.955,493 0.383,494 0.137,496 0.082,501 0.797,502 1.771,503 1.127,504 1.644,505 0.58,506 1.455,507 0.607,508 1.322,509 1.144,510 1.365,511 0.432,512 1.346,513 0.824,514 1.023,515 0.869,516 0.997,517 0.68,518 0.947,519 1.35,520 0.962,521 1.05,522 0.923,523 1.335,524 0.935,525 1.483,526 0.901,527 1.106,528 0.899,529 1.462,530 0.932,531 1.474,532 1.013,533 1.124,534 1.016,535 1.477,536 1.019,537 1.574,538 0.933,539 1.216,540 0.946,541 1.601,542 1.023,543 0.864,544 1.06,545 1.018,546 1.08,547 0.846,548 1.075,549 2.5,550 0.05,551 1.111,552 0.625,553 0.4,554 0.278,555 0.122,556 0.094,557 0.074,558 0.06,559 9665,560 21247,561 1.855,562 60.6,563 22,564 8,567 2,569 8,572 1.678,573 1.773,574 4.108,575 0.251,582 89.614,583 1.358,584 2.129,585 3.331,586 4.067,587 4.294,588 4.415,589 3.547,590 3.7,591 4.669,592 4.276,593 1389.84,594 8.021,595 21938.5,600 398.93,601 0.991,602 4.654,603 0.1,604 0.003,605 0.043,606 0.025,607 0.017,608 0.012,609 0.006,610 0.005,611 0.004,612 0.004,613 0.218,614 0.33,615 0.88,616 3.547,617 138.517,618 -0.008,619 -0.214,620 0.008,621 -0.157,622 0.008,623 -0.08,624 0.348,625 -0.108,626 -0.09,627 -0.191,628 0.236,629 -0.214,631 -0.061,632 0.075,633 -0.016,634 0.005,635 0.036,636 -0.129,637 -0.006,638 -0.024,639 0.011,640 -0.107,641 0.012,642 -0.168,643 0.071,644 -0.055,645 0.04,646 -0.135,647 0.018,648 -0.152,649 -0.027,650 -0.071,651 -0.024,652 -0.087,653 -0.033,654 -0.225,655 0.04,656 -0.164,657 0.032,658 -0.184,659 -0.049,660 -0.059,661 -0.046,662 -0.064,663 -0.05,664 -0.05,665 -0.057,666 1.959,667 4.317,669 38.107,670 0.989,671 1.147,672 2.736,673 7.486,674 0.58,675 3.258,676 3.296,677 3.258,678 3.219,679 3.178,680 3.135,681 2.996,682 2.944,683 2.89,684 2.833,685 10.068,686 0.529,687 372.62,688 3.258,689 4.635,690 5.323,691 6.038,692 6.739,693 7.46,694 8.167,695 8.89,696 9.599,697 10.324,698 3,705 2,741 66,743 2,745 25,747 65,748 20,763 2,770 12,772 2,773 18,777 2,782 2,786 2,793 40,794 6,795 2,796 6,802 2,809 4,856 2,864 2,868 26,876 16,877 2,878 2,893 6.1,896 2,898 2,901 14.667,902 11.667,903 6.583,904 4.958,907 0.135,908 1.023,909 0.863,910 19.871,911 5.999,912 3.332,913 3.434,914 3.401,915 3.367,916 3.332,917 3.296,918 3.091,919 3.045,920 2.996,921 2.944,922 0.917,923 25,924 9.698,926 3.6,927 0.026,929 7.705,931 19.117,933 14.12,936 2.205,937 57.333,941 447.302,942 74.986,943 36.022,945 72.29,948 74.986,949 519.592,950 36.022,951 17.65,952 79.832,954 50.29,955 22,956 13.525,957 447.302,959 447.302,960 111.007,961 72.29,964 353.133,965 166.458,968 97.482,969 13.525,972 447.302,973 108.311,974 74.986,977 447.302,978 57.336,979 17.65,980 36.022,981 72.29,982 447.302,983 108.311,984 74.986,986 0.508,987 0.254,988 0.12,989 0.06,990 2,991 2,992 0.292,993 19,996 4.193,997 150.966,1000 96.211,1005 25.195,1006 20.506,1007 20.398,1009 108.311,1017 36.022,1018 630.599,1019 27,1024 22.635,1028 -0.584,1031 65.301,1032 75.723,1034 0.225,1035 0.352,1036 0.551,1037 0.673,1038 0.71,1039 0.731,1040 4.431,1041 1.052,1042 5.118,1043 2.736,1044 3.97,1045 4.111,1046 2.894,1047 5.533,1048 3.884,1049 5.394,1050 0.775,1051 6.425,1052 2.096,1053 2.565,1054 3.219,1055 2.389,1056 5.38,1057 2.431,1058 6.51,1059 0.664,1060 7.819,1061 1.438,1062 5.176,1063 5.549,1064 4.168,1065 8.539,1066 4.979,1067 7.653,1068 0.49,1069 9.27,1070 1.121,1071 4.615,1072 5.638,1073 4.269,1074 9.383,1075 4.301,1076 8.839,1077 0.12,1078 10.762,1079 0.87,1080 6.569,1081 7.273,1082 5.594,1083 11.848,1084 6.24,1085 10.05,1086 -0.259,1087 12.285,1088 0.234,1089 6.512,1090 7.854,1091 5.979,1092 13.159,1093 6.02,1094 11.282,1095 -0.392,1096 13.831,1097 -0.474,1098 8.076,1099 9.171,1100 7.079,1101 15.311,1102 7.598,1103 2.382,1104 -0.463,1105 15.395,1106 -0.635,1107 8.34,1108 9.995,1109 7.623,1110 16.854,1111 7.679,1112 2.382,1113 6.092,1114 16.972,1115 -0.828,1116 9.66,1117 11.164,1118 8.595,1119 18.85,1120 9.021,1121 1.926,1122 6.092,1123 18.559,1124 2.828,1125 10.133,1126 12.103,1127 9.232,1128 20.512,1129 9.309,1130 1.745,1131 3.865,1132 20.154,1133 2.828,1134 11.295,1135 13.204,1136 10.129,1137 22.425,1138 10.49,1139 1.627,1140 3.506,1141 21.754,1142 1.932,1143 11.906,1144 14.196,1145 10.823,1146 24.15,1147 10.922,1148 1.577,1149 3.166,1150 23.359,1151 1.75,1152 12.966,1153 15.265,1154 11.675,1155 26.018,1156 11.992,1157 1.383,1158 3.033,1159 24.966,1160 1.639,1161 13.666,1162 16.282,1163 12.403,1164 27.778,1165 12.526,1166 10392,1167 15546,1168 16.06,1169 38.296,1170 32.34,1171 34.027,1172 33.041,1173 32.219,1174 32.248,1175 34.344,1176 10.21,1177 68.502,1178 30.964,1179 4.643,1180 5.562,1181 4.982,1182 4.376,1183 4.367,1184 4.828,1185 3.889,1186 10.77,1187 4.143,1188 14.489,1189 1.294,1190 1.361,1191 1.322,1192 1.289,1193 1.29,1194 1.374,1195 0.408,1196 2.74,1197 1.239,1198 3.837,1199 3.897,1200 3.692,1201 3.697,1202 7.437,1203 3.681,1204 3.729,1205 3.789,1206 3.609,1207 3.553,1208 7.433,1209 3.541,1210 3.716,1211 3.787,1212 3.563,1213 3.544,1214 4.49,1215 3.539,1216 3.644,1217 3.712,1218 3.466,1219 3.502,1220 4.462,1221 3.483,1222 3.511,1223 3.559,1224 3.366,1225 3.288,1226 4.204,1227 3.295,1228 3.414,1229 3.47,1230 3.278,1231 3.135,1232 4.189,1233 3.169,1234 3.315,1235 3.399,1236 3.128,1237 3.08,1238 4.139,1239 3.089,1240 3.144,1241 3.231,1242 2.911,1243 2.926,1244 3.927,1245 2.908,1246 0.146,1247 0.145,1248 0.201,1249 0.133,1250 0.095,1251 3.659,1252 0.113,1253 3.637,1254 0.087,1255 5.035,1256 0.244,1257 3.32,1258 0.088,1259 2.382,1260 2.828,1261 2.186,1262 6.092,1263 2.208,1264 1.812,1265 1.753,1266 2.059,1267 1.976,1268 1.423,1269 2.005,1270 1.707,1271 1.642,1272 1.973,1273 1.92,1274 1.274,1275 1.934,1276 1.701,1277 1.631,1278 1.972,1279 1.904,1280 1.254,1281 1.927,1282 1.662,1283 1.598,1284 1.93,1285 1.845,1286 1.254,1287 1.877,1288 1.46,1289 1.404,1290 1.741,1291 1.713,1292 1.047,1293 1.716,1294 1.323,1295 1.262,1296 1.614,1297 1.627,1298 0.782,1299 1.62,1300 1.284,1301 1.203,1302 1.604,1303 1.556,1304 0.754,1305 1.579,1306 1.149,1307 1.063,1308 1.5,1309 1.412,1310 0.749,1311 1.445,1312 3.932,1314 5.043,1316 6.286,1318 7.59,1320 8.931,1322 4.184,1328 15.385,1329 5.484,1330 10.228,1340 34.911,1341 89.614,1342 140.489,1343 219.871,1344 268.401,1345 283.42,1346 291.42,1347 152.925,1348 5.864,1349 76.66,1350 76.66,1352 10.991,1353 1.585,1354 1.585,1355 143.672,1356 159,1357 142,1358 0.416,1359 226.336,1360 406.44,1361 544.02,1362 2735,1364 19.297,1365 0.742,1366 0.652,1367 19.297,1368 16.947,1369 12.702,1370 0.508,1371 0.421,1372 10.38,1373 12.155,1374 10.151,1375 8.645,1376 12.702,1377 10.515,1378 9.315,1379 0.358,1380 0.256,1381 9.315,1382 6.661,1383 6.245,1384 0.25,1385 0.164,1386 6.245,1387 4.104,1388 4.174,1389 0.174,1390 0.101,1391 4.174,1392 2.431,1393 2.762,1394 0.12,1395 0.064,1396 2.762,1397 1.468,1398 0.723,1399 80.091,1400 0.25,1401 27.363,1402 0.976,1403 102,1404 325.608,1405 117.619,1406 293.789,1407 374.34,1408 274,1409 102,1410 245.562,1411 114.3,1412 239.358,1413 340.8,1414 224,1415 6.796}
{0 CHEMBL185164,1 1.31,2 20.667,3 7.714,4 59.512,5 123.269,6 5.497,8 4.358,9 4.512,10 3.603,11 3.766,12 5.213,13 3.685,14 4.979,15 5.216,16 3.777,17 4.116,18 5.839,19 3.953,20 5.266,21 5.58,22 3.728,23 4.213,24 5.903,25 4.006,26 5.231,27 5.531,28 3.713,29 4.149,30 5.984,31 3.965,32 5.166,33 5.46,34 3.67,35 4.097,36 5.934,37 3.922,38 5.112,39 5.397,40 3.637,41 4.067,42 5.909,43 3.89,44 5.094,45 5.382,46 3.524,47 4.047,48 5.843,49 3.853,50 5.052,51 5.356,52 3.469,53 4.043,54 5.686,55 3.823,56 0.09,57 0.977,58 19.821,59 7.604,60 8.43,61 11.095,62 0.685,63 1.42,64 34.216,65 11.774,66 53.853,67 17.58,68 0.41,69 1.591,70 41.125,71 13.48,72 33.78,73 20.864,74 0.53,75 1.501,76 40.803,77 12.221,78 50.167,79 19.208,80 0.521,81 1.413,82 38.526,83 11.551,84 48.025,85 18.037,86 0.467,87 1.352,88 36.616,89 11.418,90 51.395,91 17.531,92 0.501,93 1.326,94 35.636,95 11.234,96 48.396,97 17.209,98 0.334,99 1.327,100 33.195,101 11.418,102 30.559,103 17.411,104 68,105 30,106 0.208,107 0.318,108 0.495,109 0.611,110 0.653,111 0.691,112 3.437,113 1.295,114 -4.83,115 -4.74,116 -4.45,121 30.8,122 2,123 16,127 4,161 2,176 15,179 2,180 2,183 4,185 2,187 12,192 2,197 2,200 9,206 8,211 4,214 8,219 8,224 2,227 7,232 8,237 2,239 8,244 4,249 2,251 9,256 4,261 2,264 10,269 4,274 2,277 9,281 2080,282 20.573,283 20.573,284 20.573,285 20.573,286 20.573,287 20.263,288 14.51,289 14.186,290 20.959,291 14.347,292 14.347,293 14.347,294 14.347,295 14.347,296 13.743,297 12.515,298 6.867,299 14.877,300 4.976,301 4.283,302 3.163,303 2.435,304 2.167,305 1.93,306 4.085,312 1,313 1184,314 5.477,325 3.422,326 25.525,329 1,330 0.83,331 0.83,332 0.6,333 1,334 0.83,335 0.5,336 0.8,337 65,338 620,339 3.659,340 3.637,341 5.035,342 3.32,343 2.382,344 2.828,345 2.186,346 6.092,347 2.207,348 3.659,349 3.637,350 5.035,351 3.32,352 2.382,353 2.828,354 2.186,355 6.092,356 2.207,357 2.961,358 2.039,359 3.963,360 2.957,361 1.959,362 1.961,363 0.366,364 3.923,365 1.956,366 2.851,367 2.021,368 3.859,369 2.838,370 1.844,371 1.85,372 0.366,373 3.704,374 1.831,375 2.694,376 1.886,377 3.717,378 2.671,379 1.694,380 1.694,382 3.387,383 1.654,384 2.637,385 1.785,386 3.618,387 2.597,388 1.618,389 1.633,391 3.141,392 1.58,393 2.607,394 1.78,395 3.548,396 2.559,397 1.564,398 1.597,400 3.02,401 1.552,402 2.425,403 1.683,404 3.397,405 2.377,406 1.389,407 1.414,409 2.753,410 1.367,411 2.158,412 1.424,413 3.171,414 2.1,415 1.132,416 1.146,418 2.26,419 1.088,420 1.873,421 1.12,422 2.943,423 1.817,424 0.87,425 0.871,427 1.706,428 0.818,429 1.76,430 1.046,431 2.743,432 1.677,433 0.715,434 0.727,436 1.265,437 0.683,438 1.724,439 1.036,440 2.551,441 1.603,442 0.618,443 0.646,445 1.055,446 0.604,447 1.498,448 0.771,449 2.335,450 1.379,451 0.405,452 0.422,454 0.756,455 0.39,456 1.167,457 0.454,458 2.109,459 1.058,460 0.095,461 0.097,463 0.187,464 0.091,465 0.842,466 0.226,467 1.892,468 0.744,469 -0.216,470 -0.217,472 -0.41,473 -0.206,474 14.133,475 0.471,476 0.212,477 0.007,478 20,479 0.667,480 3,481 0.1,482 17,483 0.567,484 37.621,485 1.254,486 39.267,487 0.503,488 11.094,489 0.37,490 2.747,491 0.092,492 11.955,493 0.399,494 0.118,496 0.071,501 0.797,502 1.728,503 1.17,504 1.62,505 0.581,506 1.462,507 0.608,508 1.349,509 1.185,510 1.389,511 0.432,512 1.372,513 0.796,514 1.017,515 0.88,516 0.999,517 0.657,518 0.957,519 1.278,520 0.967,521 1.031,522 0.941,523 1.267,524 0.949,525 1.38,526 0.919,527 1.073,528 0.924,529 1.363,530 0.948,531 1.354,532 1.008,533 1.083,534 1.017,535 1.359,536 1.017,537 1.438,538 0.945,539 1.157,540 0.962,541 1.465,542 1.02,543 0.795,544 1.044,545 0.996,546 1.066,547 0.776,548 1.06,549 2.5,550 0.05,551 1.111,552 0.625,553 0.4,554 0.278,555 0.122,556 0.094,557 0.074,558 0.06,559 15349,560 31587,561 1.873,562 61.5,563 30,564 8,567 2,569 8,572 1.715,573 1.8,574 4.33,575 0.177,582 102.144,583 1.31,584 2.002,585 3.122,586 3.85,587 4.118,588 4.356,589 3.774,590 3.907,591 4.876,592 4.511,593 1962.26,594 8.432,595 35962.1,600 490.261,601 0.906,602 4.866,603 0.086,604 0.002,605 0.037,606 0.022,607 0.014,608 0.01,609 0.005,610 0.004,611 0.003,612 0.003,613 0.187,614 0.17,615 0.88,616 3.774,617 168.867,618 0.001,619 -0.177,620 0.007,621 -0.13,622 0.014,623 -0.068,624 0.342,625 -0.126,626 -0.112,627 -0.2,628 0.233,629 -0.222,630 0.009,631 -0.049,632 0.065,633 -0.013,634 0.011,635 0.029,636 -0.099,637 -0.002,638 -0.015,639 0.01,640 -0.081,641 0.01,642 -0.128,643 0.059,644 -0.038,645 0.032,646 -0.102,647 0.015,648 -0.112,649 -0.02,650 -0.049,651 -0.019,652 -0.056,653 -0.025,654 -0.176,655 0.033,656 -0.124,657 0.025,658 -0.143,659 -0.037,660 -0.039,661 -0.035,662 -0.046,663 -0.039,664 -0.033,665 -0.043,666 1.941,667 4.367,669 51.556,670 0.985,671 1.146,672 3.604,673 12.987,674 0.581,675 3.401,676 3.434,677 3.401,678 3.367,679 3.332,680 3.296,681 3.178,682 3.135,683 3.091,684 3.045,685 11.778,686 0.526,687 428.74,688 3.401,689 4.779,690 5.468,691 6.18,692 6.88,693 7.597,694 8.302,695 9.022,696 9.729,697 10.45,698 2.6,705 2,741 78,743 2,745 29,747 77,748 24,763 2,770 16,772 2,773 22,777 2,782 2,786 2,793 48,794 6,795 2,796 6,802 2,809 4,856 2,864 2,868 30,876 20,877 2,878 2,893 5.1,896 2,898 2,901 16.667,902 13.667,903 7.583,904 5.958,907 0.119,908 1.019,909 0.868,910 23.808,911 6.263,912 3.466,913 3.555,914 3.526,915 3.497,916 3.466,917 3.434,918 3.258,919 3.219,920 3.178,921 3.135,922 0.929,923 29,924 11.211,926 4.173,927 0.026,929 7.611,931 22.383,933 16.787,936 2.111,937 63.333,941 541.471,942 85.124,943 36.022,945 72.29,948 85.124,949 613.76,950 36.022,951 17.65,952 89.97,954 50.29,955 22,956 13.525,957 541.471,959 541.471,960 121.146,961 72.29,964 447.302,965 166.458,968 107.621,969 13.525,972 541.471,973 108.311,974 85.124,977 541.471,978 67.474,979 17.65,980 36.022,981 72.29,982 541.471,983 108.311,984 85.124,986 0.507,987 0.254,988 0.12,989 0.061,990 2,991 2,992 0.299,993 23,996 4.668,997 182.223,1000 117.207,1005 29.195,1006 24.464,1007 24.37,1009 108.311,1017 36.022,1018 734.906,1019 31,1024 22.735,1028 -0.548,1031 76.836,1032 89.384,1034 0.208,1035 0.319,1036 0.497,1037 0.613,1038 0.655,1039 0.693,1040 4.564,1041 1.389,1042 5.252,1043 3.02,1044 4.111,1045 4.234,1046 2.894,1047 5.652,1048 4.037,1049 5.513,1050 1.132,1051 6.547,1052 2.753,1053 2.565,1054 3.219,1055 2.389,1056 5.38,1057 2.431,1058 6.617,1059 0.87,1060 7.926,1061 2.26,1062 5.303,1063 5.638,1064 4.168,1065 8.611,1066 5.132,1067 7.746,1068 0.715,1069 9.361,1070 1.706,1071 4.615,1072 5.638,1073 4.269,1074 9.383,1075 4.301,1076 8.918,1077 0.618,1078 10.837,1079 1.265,1080 6.676,1081 7.327,1082 5.594,1083 11.884,1084 6.385,1085 10.116,1086 0.405,1087 12.346,1088 1.055,1089 6.512,1090 7.854,1091 5.979,1092 13.159,1093 6.02,1094 11.336,1095 0.095,1096 13.88,1097 0.756,1098 8.16,1099 9.2,1100 7.079,1101 15.327,1102 7.729,1103 2.382,1104 -0.216,1105 15.434,1106 0.187,1107 8.34,1108 9.995,1109 7.623,1110 16.854,1111 7.679,1112 2.382,1113 6.092,1114 17.003,1115 -0.41,1116 9.722,1117 11.178,1118 8.595,1119 18.857,1120 9.136,1121 1.959,1122 6.092,1123 18.584,1124 2.828,1125 10.133,1126 12.103,1127 9.232,1128 20.512,1129 9.309,1130 1.844,1131 3.923,1132 20.173,1133 2.828,1134 11.34,1135 13.21,1136 10.129,1137 22.427,1138 10.588,1139 1.694,1140 3.704,1141 21.769,1142 1.961,1143 11.906,1144 14.196,1145 10.823,1146 24.15,1147 10.922,1148 1.618,1149 3.387,1150 23.37,1151 1.85,1152 12.998,1153 15.268,1154 11.675,1155 26.019,1156 12.074,1157 1.564,1158 3.141,1159 24.975,1160 1.694,1161 13.666,1162 16.282,1163 12.403,1164 27.778,1165 12.526,1166 16308,1167 23550,1168 18.833,1169 45.342,1170 37.415,1171 39.139,1172 38.12,1173 37.318,1174 37.337,1175 39.434,1176 10.21,1177 78.681,1178 36.054,1179 4.647,1180 5.596,1181 5.003,1182 4.371,1183 4.371,1184 4.828,1185 3.889,1186 10.769,1187 4.17,1188 16.163,1189 1.29,1190 1.35,1191 1.314,1192 1.287,1193 1.287,1194 1.36,1195 0.352,1196 2.713,1197 1.243,1198 3.858,1199 3.92,1200 3.706,1201 3.727,1202 7.437,1203 3.709,1204 3.751,1205 3.808,1206 3.621,1207 3.602,1208 7.433,1209 3.587,1210 3.729,1211 3.796,1212 3.588,1213 3.558,1214 4.49,1215 3.549,1216 3.69,1217 3.762,1218 3.523,1219 3.533,1220 4.464,1221 3.52,1222 3.606,1223 3.67,1224 3.432,1225 3.454,1226 4.21,1227 3.438,1228 3.495,1229 3.546,1230 3.348,1231 3.28,1232 4.195,1233 3.282,1234 3.413,1235 3.471,1236 3.27,1237 3.145,1238 4.192,1239 3.174,1240 3.326,1241 3.408,1242 3.138,1243 3.091,1244 4.05,1245 3.103,1246 0.126,1247 0.125,1248 0.174,1249 0.114,1250 0.082,1251 3.659,1252 0.098,1253 3.637,1254 0.075,1255 5.035,1256 0.21,1257 3.32,1258 0.076,1259 2.382,1260 2.828,1261 2.186,1262 6.092,1263 2.207,1264 1.833,1265 1.773,1266 2.078,1267 1.989,1268 1.446,1269 2.022,1270 1.752,1271 1.692,1272 2.005,1273 1.936,1274 1.361,1275 1.957,1276 1.703,1277 1.635,1278 1.972,1279 1.911,1280 1.255,1281 1.93,1282 1.699,1283 1.629,1284 1.971,1285 1.89,1286 1.254,1287 1.922,1288 1.616,1289 1.553,1290 1.888,1291 1.808,1292 1.227,1293 1.836,1294 1.454,1295 1.394,1296 1.741,1297 1.699,1298 1.055,1299 1.706,1300 1.331,1301 1.27,1302 1.619,1303 1.627,1304 0.859,1305 1.623,1306 1.292,1307 1.214,1308 1.605,1309 1.564,1310 0.755,1311 1.585,1312 4.078,1314 5.187,1316 6.425,1318 7.723,1320 9.056,1322 4.204,1328 21.119,1329 5.525,1330 10.299,1340 41.018,1341 102.144,1342 156.178,1343 243.532,1344 300.313,1345 321.242,1346 339.732,1347 203.098,1348 6.144,1349 76.66,1350 76.66,1352 11.12,1353 1.585,1354 1.585,1355 184.614,1356 215,1357 192,1358 0.39,1359 264.705,1360 475.64,1361 637.641,1362 4265,1364 22.125,1365 0.738,1366 0.659,1367 22.125,1368 19.775,1369 14.702,1370 0.507,1371 0.432,1372 12.38,1373 14.155,1374 12.111,1375 10.311,1376 14.702,1377 12.515,1378 10.729,1379 0.358,1380 0.269,1381 10.729,1382 8.075,1383 7.245,1384 0.25,1385 0.176,1386 7.245,1387 5.104,1388 4.881,1389 0.174,1390 0.112,1391 4.881,1392 3.138,1393 3.262,1394 0.121,1395 0.073,1396 3.262,1397 1.968,1398 0.685,1399 92.091,1400 0.23,1401 31.062,1402 0.904,1403 118,1404 341.608,1405 133.619,1406 310.436,1407 397.38,1408 290,1409 118,1410 261.562,1411 130.3,1412 256.004,1413 363.84,1414 240,1415 6.796}
{0 CHEMBL185799,1 1.354,2 11.607,3 2.719,4 7.395,5 111.188,6 6.759,7 0.387,8 4.105,9 4.22,10 3.602,11 3.649,12 5.108,13 3.61,14 4.694,15 4.877,16 3.969,17 4.084,18 5.593,19 4.028,20 4.967,21 5.159,22 4.077,23 4.303,24 5.875,25 4.198,26 5.171,27 5.425,28 4.006,29 4.333,30 5.997,31 4.188,32 5.126,33 5.377,34 3.94,35 4.256,36 6.016,37 4.116,38 5.002,39 5.248,40 3.791,41 4.194,42 5.871,43 4.028,44 4.949,45 5.217,46 3.624,47 4.05,48 5.754,49 3.873,50 4.746,51 4.999,52 3.481,53 3.793,54 5.631,55 3.665,56 0.034,57 0.748,58 12.802,59 5.662,60 9.068,61 7.523,62 0.248,63 1.28,64 24.616,65 9.316,66 19.733,67 12.664,68 0.282,69 1.646,70 32.02,71 13.238,72 29.647,73 18.131,74 0.297,75 1.899,76 40.568,77 15.836,78 42.874,79 22.191,80 0.499,81 1.77,82 39.489,83 14.733,84 60.945,85 20.4,86 0.398,87 1.623,88 34.079,89 13.614,90 50.272,91 19.149,92 0.241,93 1.482,94 32.649,95 12.79,96 40.207,97 17.99,98 0.399,99 1.156,100 27.655,101 9.449,102 48.054,103 12.833,104 21,105 45,106 0.223,107 0.539,108 0.732,109 0.778,110 0.798,111 0.803,112 3.375,113 0.977,114 -0.98,115 -1.09,116 -1.18,121 42.9,123 2,124 1,126 3,127 3,137 1,138 1,144 7,145 3,146 2,159 1,176 14,180 4,187 16,189 3,191 1,192 8,200 11,203 3,206 6,214 8,216 3,218 1,219 3,227 9,229 2,231 1,232 2,234 1,239 7,241 2,244 4,251 7,253 2,256 1,264 7,269 2,271 2,277 9,281 1180,282 19.033,283 19.033,284 19.033,285 19.033,286 19.033,287 17.345,288 22.723,289 10.932,290 19.49,291 15.154,292 15.154,293 15.154,294 15.154,295 15.154,296 12.397,297 28.147,298 5.013,299 15.697,300 4.454,301 2.537,302 1.369,303 1.09,304 0.969,305 0.933,306 4.069,311 1,312 1,313 705,314 3.162,317 62.751,318 267.061,321 119.671,325 1.893,326 21.796,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 59.5,338 325,339 4.608,340 3.729,341 7.002,342 4.29,343 3.326,344 4.265,345 1.26,346 11.925,347 3.287,348 4.327,349 3.661,350 6.813,351 4.192,352 3.233,353 3.567,354 0.86,355 11.231,356 3.024,357 4.108,358 3.177,359 6.2,360 3.754,361 2.795,362 3.523,363 0.86,364 9.206,365 2.679,366 3.804,367 2.728,368 5.849,369 3.428,370 2.437,371 3.158,372 0.245,373 7.912,374 2.409,375 3.559,376 2.565,377 5.298,378 3.312,379 2.331,380 2.767,382 6.785,383 2.272,384 3.251,385 2.379,386 5.065,387 2.879,388 1.882,389 2.456,391 5.685,392 1.874,393 2.892,394 2.193,395 4.615,396 2.521,397 1.545,398 2.038,400 4.476,401 1.502,402 2.829,403 1.544,404 4.176,405 2.427,406 1.434,407 1.862,409 3.329,410 1.421,411 2.575,412 1.396,413 3.802,414 2.175,415 1.232,416 1.5,418 3.059,419 1.148,420 2.5,421 1.131,422 3.701,423 2,424 1,425 1.489,427 2.372,428 1,429 2,430 1.077,431 3.316,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.899,439 1,440 3.247,441 1.488,442 0.529,443 0.679,445 1.071,446 0.498,447 1.477,448 0.999,449 3.139,450 1.224,451 0.369,452 0.399,454 0.516,455 0.312,456 1.272,457 0.399,458 2.806,459 1.082,460 0.117,461 0.129,463 0.291,464 0.113,465 1.055,466 0.275,467 2.627,468 0.767,469 -0.218,470 -0.252,472 -0.511,473 -0.212,474 13.4,475 0.479,476 0.732,477 0.026,478 33.75,479 1.205,480 16,481 0.571,482 17.75,483 0.634,484 25.847,485 0.923,486 30.7,487 0.548,488 25.283,489 0.903,490 6.716,491 0.24,492 6.811,493 0.243,494 0.137,495 0.03,496 0.299,501 0.781,502 1.34,503 0.856,504 1.172,505 0.587,506 1.044,507 1.264,508 0.838,509 0.945,510 0.78,511 0.677,512 0.8,513 0.731,514 1.203,515 1.041,516 1.195,517 0.699,518 1.159,519 0.807,520 1.057,521 0.945,522 1.053,523 0.962,524 1.021,525 1.089,526 0.958,527 1.002,528 0.952,529 1.304,530 0.966,531 0.623,532 1.099,533 1.057,534 1.126,535 1.082,536 1.145,537 0.774,538 1.093,539 0.984,540 1.105,541 1.06,542 1.079,543 1.76,544 0.819,545 1.112,546 0.803,547 2.025,548 0.868,549 6.5,550 0.143,551 3.556,552 2.514,553 2.094,554 1.101,555 0.732,556 0.486,557 0.201,558 0.274,559 10024,560 22100,561 2.085,562 50,563 1,564 23,569 4,572 1.708,573 1.942,574 3.502,575 -0.848,576 1,577 1,582 75.812,583 1.354,584 3.27,585 4.438,586 4.718,587 4.838,588 4.874,589 2.972,590 4.379,591 4.775,592 3.66,593 1383.54,594 8.293,595 18129.2,597 1,599 1,600 325.212,601 1.572,602 4.728,603 0.21,604 0.007,605 0.079,606 0.053,607 0.05,608 0.028,609 0.022,610 0.018,611 0.008,612 0.012,613 0.488,614 0.5,615 1,616 0.845,617 140.81,618 0.022,619 -0.173,620 0.078,621 -0.076,622 0.01,623 -0.007,624 -0.156,625 0.286,626 0.047,627 0.225,628 0.012,629 0.177,630 0.074,631 -0.142,632 -0.093,633 -0.162,634 0.077,635 -0.149,636 0.007,637 -0.082,638 0.02,639 -0.069,640 0.01,641 -0.029,642 0.004,643 0.003,644 -0.006,645 0.018,646 -0.028,647 0.006,648 0.11,649 -0.11,650 -0.107,651 -0.13,652 -0.019,653 -0.145,654 0.012,655 -0.152,656 -0.022,657 -0.125,658 -0.036,659 -0.086,660 -0.224,661 0.118,662 -0.06,663 0.129,664 -0.24,665 0.065,666 1.514,667 6.046,668 0.75,669 28.367,670 0.991,671 1.12,672 -0.245,673 0.06,674 0.654,675 3.466,676 3.829,677 4.127,678 4.407,679 4.663,680 4.771,681 4.934,682 5.081,683 5.124,684 5.159,685 6.764,686 0.612,687 378.53,688 3.466,689 5.03,690 5.9,691 6.804,692 7.692,693 8.602,694 9.499,695 10.412,696 11.314,697 12.229,698 1.8,712 1,715 7,720 5,722 12,727 1,739 2,741 56,743 14,744 2,745 31,747 59,748 24,749 12,750 5,751 7,752 3,756 4,757 5,767 2,768 1,770 2,772 15,773 9,774 1,777 2,782 1,784 1,786 2,790 1,793 28,794 3,796 4,802 1,803 1,807 1,808 0.75,809 3,828 1,829 3,832 1,849 1,850 1,859 3,864 3,868 28,876 5,878 2,880 1,883 1,893 5.4,896 1,898 2,901 14.417,902 11,903 6.181,904 3.486,907 2.524,908 1.326,909 0.957,910 5.2,911 10.274,912 3.689,913 4.263,914 4.828,915 5.359,916 5.883,917 6.119,918 6.464,919 6.738,920 6.806,921 6.855,922 0.875,923 47,924 10.409,926 4.437,927 0.026,929 7.571,931 20.412,933 17.287,936 2.071,937 58,940 1,941 329.591,942 145.721,945 47.145,948 145.721,949 376.736,951 30.162,952 11.386,953 75.81,954 30.278,955 45.229,957 329.591,959 329.591,960 145.721,961 47.145,964 282.506,965 94.229,968 11.386,969 124.859,970 9.476,972 329.591,973 47.145,974 145.721,977 329.591,978 39.749,979 105.972,981 47.145,982 329.591,983 47.145,984 145.721,986 0.586,987 0.354,988 0.192,989 0.107,990 23,991 10,992 0.085,993 5,994 1,995 1.095,996 3.934,997 248.801,998 0.095,999 21,1000 126.606,1005 19.074,1006 7.633,1007 3.714,1009 47.145,1010 14.42,1015 4.345,1018 522.457,1019 39,1024 13.046,1026 2.067,1028 1.108,1031 55.512,1032 62.732,1034 0.233,1035 0.563,1036 0.764,1037 0.812,1038 0.833,1039 0.839,1040 4.963,1041 1.434,1042 5.927,1043 4.476,1044 4.511,1045 4.949,1046 1.86,1047 6.808,1048 4.453,1049 6.179,1050 1.232,1051 7.535,1052 3.329,1053 4.29,1054 4.808,1055 0.931,1056 8.021,1057 4.179,1058 7.51,1059 1,1060 9.25,1061 3.059,1062 6.221,1063 7.103,1064 1.793,1065 11.054,1066 6.101,1067 8.876,1068 1,1069 11.028,1070 2.372,1071 6.815,1072 7.746,1073 1.381,1074 13.049,1075 6.634,1076 10.273,1077 0.529,1078 12.846,1079 2.136,1080 8.25,1081 9.552,1082 1.909,1083 15.665,1084 8.061,1085 11.692,1086 0.369,1087 14.69,1088 1.071,1089 9.185,1090 10.561,1091 1.783,1092 17.945,1093 8.943,1094 13.127,1095 0.117,1096 16.553,1097 0.516,1098 10.448,1099 12.166,1100 2.152,1101 20.443,1102 10.191,1103 3.326,1104 -0.218,1105 18.429,1106 0.291,1107 11.526,1108 13.367,1109 2.192,1110 22.829,1111 11.228,1112 3.233,1113 11.925,1114 20.316,1115 -0.511,1116 12.731,1117 14.879,1118 2.484,1119 25.294,1120 12.414,1121 2.795,1122 11.231,1123 22.211,1124 4.265,1125 13.869,1126 16.186,1127 2.615,1128 27.722,1129 13.521,1130 2.437,1131 9.206,1132 24.112,1133 3.567,1134 15.056,1135 17.656,1136 2.871,1137 30.179,1138 14.688,1139 2.331,1140 7.912,1141 26.018,1142 3.523,1143 16.22,1144 19.022,1145 3.05,1146 32.625,1147 15.827,1148 1.882,1149 6.785,1150 27.929,1151 3.158,1152 17.404,1153 20.474,1154 3.291,1155 35.082,1156 16.991,1157 1.545,1158 5.685,1159 29.844,1160 2.767,1161 18.58,1162 21.875,1163 3.495,1164 37.537,1165 18.146,1166 9557,1167 14327,1168 20.572,1169 36.648,1170 46.975,1171 48.009,1172 48.961,1173 46.414,1174 46.461,1175 57.665,1176 6.45,1177 139.989,1178 45.045,1179 5.608,1180 5.729,1181 6.804,1182 5.325,1183 5.326,1184 7.265,1185 2.12,1186 19.3,1187 5.287,1188 13.676,1189 1.515,1190 1.549,1191 1.579,1192 1.497,1193 1.499,1194 1.86,1195 0.208,1196 4.516,1197 1.453,1198 4.087,1199 4.118,1200 4.039,1201 4.01,1202 7.427,1203 4.014,1204 3.96,1205 3.993,1206 3.887,1207 3.871,1208 4.926,1209 3.868,1210 3.813,1211 3.857,1212 3.717,1213 3.7,1214 4.756,1215 3.698,1216 3.546,1217 3.576,1218 3.476,1219 3.376,1220 4.496,1221 3.394,1222 3.293,1223 3.358,1224 3.137,1225 3.097,1226 4.45,1227 3.098,1228 3.248,1229 3.314,1230 3.058,1231 2.957,1232 4.305,1233 2.967,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.923,1239 2.91,1240 3.039,1241 3.114,1242 2.844,1243 2.844,1244 3.676,1245 2.828,1246 0.149,1247 0.12,1248 0.226,1249 0.138,1250 0.107,1251 4.608,1252 0.138,1253 3.729,1254 0.041,1255 7.002,1256 0.385,1257 4.29,1258 0.106,1259 3.326,1260 4.265,1261 1.26,1262 11.925,1263 3.287,1264 1.97,1265 1.925,1266 2.134,1267 2.135,1268 1.518,1269 2.139,1270 1.872,1271 1.863,1272 2.003,1273 1.967,1274 1.169,1275 1.969,1276 1.846,1277 1.809,1278 1.936,1279 1.947,1280 1.089,1281 1.953,1282 1.532,1283 1.488,1284 1.717,1285 1.703,1286 0.938,1287 1.709,1288 1.218,1289 1.169,1290 1.576,1291 1.524,1292 0.825,1293 1.54,1294 1.216,1295 1.151,1296 1.56,1297 1.504,1298 0.6,1299 1.519,1300 1.168,1301 1.092,1302 1.513,1303 1.393,1304 0.575,1305 1.429,1306 1.153,1307 1.064,1308 1.445,1309 1.376,1310 0.563,1311 1.411,1312 4.143,1314 5.493,1315 2.398,1316 7.047,1317 4.844,1318 8.687,1319 7.034,1320 10.371,1322 5.557,1328 5.321,1330 10.765,1332 0.332,1335 1.038,1340 34.278,1341 75.812,1342 183.122,1343 248.541,1344 264.192,1345 270.947,1346 272.947,1347 48.433,1348 7.75,1349 35.53,1350 35.53,1351 23,1352 12.743,1353 3.907,1354 3.17,1355 42.599,1356 114,1357 114,1358 0.186,1359 208.241,1360 370.09,1361 499.867,1362 24248,1364 19.725,1365 0.704,1366 0.606,1367 19.725,1368 16.956,1369 13.526,1370 0.436,1371 0.326,1372 9.941,1373 13.023,1374 9.611,1375 8.013,1376 13.526,1377 10.091,1378 12.347,1379 0.274,1380 0.188,1381 12.347,1382 8.471,1383 10.776,1384 0.177,1385 0.106,1386 10.776,1387 6.48,1388 8.967,1389 0.111,1390 0.059,1391 8.967,1392 4.794,1393 7.423,1394 0.071,1395 0.035,1396 7.423,1397 3.679,1398 0.293,1399 84.745,1400 0.22,1401 26.783,1402 0.505,1403 152,1404 377.539,1405 162.303,1406 361.03,1407 496.9,1408 340,1409 182,1410 362.699,1411 194.246,1412 373.734,1413 545.75,1414 348,1415 6.601}
{0 CHEMBL185896,1 1.187,2 10.583,3 6.186,4 38.272,5 98.581,6 6.24,7 0.462,8 4.001,9 4.123,10 3.404,11 3.588,12 4.989,13 3.516,14 4.566,15 4.747,16 3.756,17 4.026,18 5.443,19 3.917,20 4.947,21 5.176,22 3.82,23 4.239,24 5.759,25 4.081,26 5.105,27 5.384,28 3.686,29 4.27,30 5.776,31 4.059,32 5.087,33 5.389,34 3.655,35 4.232,36 5.693,37 4.015,38 4.997,39 5.276,40 3.615,41 4.159,42 5.705,43 3.956,44 4.93,45 5.211,46 3.509,47 4.035,48 5.715,49 3.832,50 4.808,51 5.104,52 3.323,53 3.819,54 5.639,55 3.625,56 0.068,57 0.655,58 12.467,59 5.693,60 11.751,61 7.654,62 0.091,63 1.126,64 21.722,65 9.874,66 18.834,67 13.572,68 0.191,69 1.565,70 31.821,71 13.734,72 35.334,73 19.085,74 0.222,75 1.773,76 36.742,77 15.694,78 35.668,79 22.234,80 0.18,81 1.737,82 35.7,83 15.465,84 30.084,85 22.139,86 0.199,87 1.587,88 33.026,89 14.021,90 33.612,91 19.837,92 0.216,93 1.451,94 31.141,95 12.75,96 38.945,97 17.959,98 0.279,99 1.223,100 27.919,101 10.636,102 44.778,103 14.867,104 17,105 36,106 0.201,107 0.501,108 0.673,109 0.745,110 0.791,111 0.823,112 3.228,113 1.049,114 -5.78,115 -5.64,116 -5.25,121 42.3,122 2,123 4,124 4,144 8,145 2,146 2,176 20,185 4,187 28,197 4,200 30,211 2,214 26,224 2,227 25,237 3,239 20,249 5,251 15,261 4,264 12,274 4,277 10,281 824,282 15.947,283 15.947,284 15.947,285 15.947,286 15.947,287 14.419,288 12.802,289 9.338,290 16.028,291 12.798,292 12.798,293 12.798,294 12.798,295 12.798,296 10.632,297 6.737,298 4.462,299 12.961,300 4.514,301 2.742,302 1.726,303 1.298,304 1.029,305 0.837,306 3.907,312 1,313 540,314 2.739,318 245.28,325 1.618,326 15.853,329 0.75,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.94,337 50,338 254,339 4.207,340 3.219,341 6.493,342 4.062,343 3.062,344 3.691,346 10.121,347 3.061,348 4.037,349 2.904,350 6.003,351 3.749,352 2.752,353 3.62,355 8.531,356 2.744,357 3.805,358 2.665,359 5.392,360 3.513,361 2.529,362 3.011,364 7.058,365 2.489,366 3.601,367 2.565,368 5.196,369 3.341,370 2.368,371 2.799,373 6.36,374 2.301,375 3.352,376 2.316,377 4.897,378 3.02,379 2.05,380 2.559,382 5.699,383 1.977,384 3.108,385 2.012,386 4.854,387 2.886,388 1.903,389 2.19,391 5.342,392 1.864,393 2.5,394 1.277,395 4.081,396 2.257,397 1.26,398 1.5,400 3.385,401 1.256,402 2.5,403 1.177,404 3.901,405 2.123,406 1.129,407 1.5,409 2.975,410 1.121,411 2.305,412 1,413 3.414,414 2,415 1,416 1.3,418 2.275,419 1,420 2.224,421 1,422 3.414,423 2,424 1,425 1.208,427 2.275,428 1,429 1.325,430 0.443,431 2.82,432 1.121,433 0.143,434 0.158,436 0.327,437 0.138,438 1.192,439 0.272,440 2.674,441 0.969,447 0.827,448 -0.155,449 2.255,450 0.633,451 -0.327,452 -0.369,454 -0.736,455 -0.311,456 0.5,457 -0.388,458 2,459 0.288,460 -0.669,461 -0.748,463 -1.61,464 -0.634,465 0.5,466 -0.694,467 2,468 0.142,469 -0.842,470 -0.875,472 -2.509,473 -0.825,474 11.667,475 0.486,476 0.647,477 0.027,478 26.5,479 1.104,480 13,481 0.542,482 13.5,483 0.563,484 24.776,485 1.032,486 26.733,487 0.514,488 16.092,489 0.67,490 4.42,491 0.184,492 7.105,493 0.296,494 0.143,496 0.343,501 0.974,502 1.042,503 1.014,504 1.04,505 0.997,506 1.032,507 0.541,508 1.148,509 0.979,510 1.145,511 0.458,512 1.106,513 0.78,514 1.15,515 1.096,516 1.154,517 0.721,518 1.152,519 0.561,520 1.044,521 1.011,522 1.055,523 0.561,524 1.069,525 0.244,526 0.934,527 0.831,528 0.942,529 0.279,530 0.938,531 0.582,532 1.036,533 0.978,534 1.043,535 0.634,536 1.044,537 0.835,538 1.06,539 1.003,540 1.06,541 0.876,542 1.048,543 1.443,544 0.813,545 0.958,546 0.812,547 1.468,548 0.84,549 5.5,550 0.124,551 3.111,552 1.313,553 1.458,554 0.882,555 0.504,556 0.373,557 0.266,558 0.071,559 6368,560 13874,561 2.04,562 53.8,563 18,564 8,567 2,572 1.668,573 1.895,574 3.379,575 0.132,582 61.709,583 1.187,584 2.959,585 3.974,586 4.402,587 4.671,588 4.864,589 2.872,590 4.168,591 4.555,592 3.49,593 963.364,594 7.859,595 11347.9,600 296.423,601 1.459,602 4.507,603 0.212,604 0.01,605 0.086,606 0.036,607 0.049,608 0.029,609 0.018,610 0.016,611 0.013,612 0.004,613 0.474,614 0.5,615 0.88,616 0.622,617 114.468,618 -0.083,619 0.115,620 0.014,621 0.108,622 -0.089,623 0.075,624 0.026,625 -0.052,626 -0.002,627 -0.048,628 0.115,629 -0.03,630 -0.044,631 -0.12,632 -0.125,633 -0.123,634 0.016,635 -0.129,636 -0.018,637 -0.066,638 -0.075,639 -0.069,640 -0.017,641 -0.076,642 0.067,643 0.029,644 0.079,645 0.035,646 0.043,647 0.055,648 0.004,649 -0.06,650 -0.038,651 -0.059,652 -0.038,653 -0.053,654 0.003,655 -0.099,656 -0.043,657 -0.095,658 -0.033,659 -0.076,660 -0.09,661 0.112,662 0.041,663 0.109,664 -0.127,665 0.089,666 1.328,667 3.527,668 0.75,669 20.694,670 0.981,671 1.12,672 4.546,673 20.662,674 0.646,675 3.296,676 3.611,677 3.829,678 4.025,679 4.29,680 4.263,681 4.304,682 4.357,683 4.369,684 4.369,685 6.052,686 0.592,687 324.5,688 3.296,689 4.828,690 5.659,691 6.521,692 7.371,693 8.234,694 9.092,695 9.956,696 10.818,697 11.684,715 8,720 4,722 12,738 2,741 52,743 12,744 2,745 26,747 54,748 22,749 12,750 4,751 8,756 3,757 3,763 2,767 3,768 3,770 4,772 12,773 10,774 4,793 28,794 2,795 2,796 2,808 1,809 2,829 3,859 3,864 2,868 24,875 2,876 4,880 4,893 3.8,895 2,901 12.667,902 9.4,903 5.25,904 3.392,907 1.898,908 1.275,909 0.908,910 5.375,911 8.789,912 3.497,913 4.025,914 4.472,915 4.914,916 5.42,917 5.321,918 5.41,919 5.585,920 5.69,921 5.844,922 1,923 36,924 8.912,926 3.761,927 0.026,929 7.583,931 17.716,933 15.244,936 2.083,937 50,941 306.049,942 109.97,945 85.367,948 109.97,949 391.415,951 17.65,952 10.138,953 75.81,954 85.367,955 6.371,957 306.049,959 306.049,960 109.97,961 85.367,964 306.049,965 85.367,968 27.789,969 82.181,972 306.049,973 85.367,974 109.97,977 306.049,978 16.509,979 93.46,981 85.367,982 306.049,983 85.367,984 109.97,986 0.586,987 0.332,988 0.166,989 0.1,990 17,991 8,992 0.074,993 4,995 1,996 3.613,997 189.604,999 18,1000 102.039,1005 17.195,1006 7.502,1007 4.27,1009 85.367,1010 15.433,1015 3.353,1017 85.367,1018 501.385,1019 32,1031 51.025,1032 58.232,1034 0.208,1035 0.519,1036 0.697,1037 0.772,1038 0.819,1039 0.853,1040 4.736,1041 1.129,1042 5.645,1043 3.385,1044 4.29,1045 4.71,1047 6.415,1048 4.268,1049 5.907,1050 1,1051 7.186,1052 2.975,1053 3.892,1054 4.369,1056 7.235,1057 3.842,1058 7.182,1059 1,1060 8.821,1061 2.275,1062 5.855,1063 6.74,1065 10.284,1066 5.82,1067 8.482,1068 0.143,1069 10.51,1070 2.275,1071 6.217,1072 7.112,1074 11.91,1075 6.162,1076 9.808,1078 12.233,1079 0.327,1080 7.676,1081 9.022,1083 14.487,1084 7.634,1085 11.15,1086 -0.327,1087 13.981,1089 8.395,1090 9.735,1092 16.475,1093 8.345,1094 12.506,1095 -0.669,1096 15.748,1097 -0.736,1098 9.641,1099 11.427,1101 18.878,1102 9.599,1103 3.062,1104 -0.842,1105 17.53,1106 -1.61,1107 10.543,1108 12.337,1110 21.036,1111 10.499,1112 2.752,1113 10.121,1114 19.324,1115 -2.509,1116 11.697,1117 13.9,1119 23.373,1120 11.658,1121 2.529,1122 8.531,1123 21.129,1124 3.691,1125 12.693,1126 14.936,1128 25.61,1129 12.655,1130 2.368,1131 7.058,1132 22.942,1133 3.62,1134 13.809,1135 16.414,1137 27.923,1138 13.774,1139 2.05,1140 6.36,1141 24.762,1142 3.011,1143 14.855,1144 17.535,1146 30.197,1147 14.822,1148 1.903,1149 5.699,1150 26.589,1151 2.799,1152 15.957,1153 18.956,1155 32.504,1156 15.926,1157 1.26,1158 5.342,1159 28.421,1160 2.559,1161 17.03,1162 20.135,1164 34.796,1165 17.001,1166 6215,1167 9250,1168 17.107,1169 33.569,1170 38.849,1171 38.857,1172 40.009,1173 38.481,1174 38.392,1175 47.076,1177 108.695,1178 37.9,1179 5.207,1180 5.219,1181 5.907,1182 5.062,1183 5.062,1184 6.691,1186 16.77,1187 5.061,1188 12.44,1189 1.494,1190 1.495,1191 1.539,1192 1.48,1193 1.477,1194 1.811,1196 4.181,1197 1.458,1198 4.031,1199 4.068,1200 3.944,1201 3.963,1202 6.474,1203 3.953,1204 3.912,1205 3.937,1206 3.846,1207 3.85,1208 6.468,1209 3.845,1210 3.777,1211 3.813,1212 3.675,1213 3.69,1214 4.649,1215 3.681,1216 3.525,1217 3.588,1218 3.371,1219 3.405,1220 4.609,1221 3.388,1222 3.169,1223 3.259,1224 2.983,1225 3.002,1226 4.273,1227 2.979,1228 3.14,1229 3.207,1230 2.967,1231 2.992,1232 4.022,1233 2.978,1234 3.003,1235 3.073,1236 2.793,1237 2.809,1238 3.674,1239 2.794,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.162,1247 0.124,1248 0.25,1249 0.156,1250 0.118,1251 4.207,1252 0.142,1253 3.219,1255 6.493,1256 0.389,1257 4.062,1258 0.118,1259 3.062,1260 3.691,1262 10.121,1263 3.061,1264 2.008,1265 1.974,1266 2.167,1267 2.105,1268 1.577,1269 2.128,1270 1.912,1271 1.888,1272 2.036,1273 2,1274 1.272,1275 2.012,1276 1.782,1277 1.747,1278 1.934,1279 1.895,1280 1.071,1281 1.91,1282 1.547,1283 1.488,1284 1.804,1285 1.713,1286 0.995,1287 1.747,1288 1.202,1289 1.116,1290 1.57,1291 1.431,1292 0.758,1293 1.484,1294 1.153,1295 1.087,1296 1.463,1297 1.356,1298 0.754,1299 1.394,1300 0.998,1301 0.926,1302 1.343,1303 1.249,1304 0.484,1305 1.279,1306 0.886,1307 0.821,1308 1.181,1309 1.088,1310 0.36,1311 1.107,1312 3.97,1314 5.283,1316 6.788,1318 8.374,1320 10.001,1322 4.722,1327 18.958,1328 4.873,1332 2.661,1340 30.805,1341 61.709,1342 153.854,1343 206.648,1344 228.913,1345 242.913,1346 252.913,1347 43.352,1348 6.891,1349 40.46,1350 40.46,1351 18,1352 12.231,1353 3.7,1354 2.807,1355 39.302,1356 86,1357 92,1358 0.223,1359 190.05,1360 332.02,1361 455.482,1362 8432,1364 17.104,1365 0.713,1366 0.61,1367 17.104,1368 14.651,1369 11.525,1370 0.443,1371 0.35,1372 9.064,1373 11.382,1374 8.751,1375 7.319,1376 11.525,1377 9.095,1378 10.573,1379 0.294,1380 0.211,1381 10.573,1382 7.596,1383 8.61,1384 0.191,1385 0.13,1386 8.61,1387 5.856,1388 6.562,1389 0.119,1390 0.077,1391 6.562,1392 4.228,1393 5.665,1394 0.079,1395 0.046,1396 5.665,1397 3.314,1398 0.349,1399 70.304,1400 0.242,1401 23.518,1402 0.612,1403 124,1404 256.299,1405 128.207,1406 258.299,1407 351.66,1408 240,1409 143,1410 256.061,1411 146.322,1412 265.59,1413 379.87,1414 250,1415 6.208}
{0 CHEMBL185976,1 1.465,2 12.219,3 3.185,4 10.141,5 128.51,6 7.104,7 0.457,8 4.237,9 4.345,10 3.807,11 3.788,12 5.245,13 3.734,14 4.827,15 5.003,16 4.188,17 4.216,18 5.719,19 4.14,20 5.099,21 5.276,22 4.35,23 4.454,24 6.012,25 4.345,26 5.347,27 5.581,28 4.333,29 4.529,30 6.217,31 4.38,32 5.348,33 5.594,34 4.322,35 4.505,36 6.211,37 4.348,38 5.281,39 5.517,40 4.204,41 4.478,42 6.155,43 4.302,44 5.186,45 5.429,46 4.048,47 4.376,48 6.07,49 4.184,50 5.043,51 5.292,52 3.955,53 4.195,54 5.901,55 4.045,56 0.025,57 0.859,58 15.059,59 6.783,60 11.228,61 8.569,62 0.331,63 1.459,64 30.378,65 11.292,66 26.35,67 14.239,68 0.378,69 1.902,70 40.643,71 15.847,72 36.3,73 20.208,74 0.602,75 2.287,76 53.619,77 19.67,78 62.066,79 25.798,80 0.583,81 2.264,82 56.448,83 20.003,84 65.563,85 25.868,86 0.499,87 2.173,88 54.576,89 19.41,90 63.178,91 24.613,92 0.52,93 1.973,94 49.378,95 18.259,96 70.699,97 23.433,98 0.302,99 1.657,100 41.111,101 15.034,102 44.176,103 19.453,104 35,105 50,106 0.235,107 0.533,108 0.735,109 0.826,110 0.848,111 0.853,112 3.502,113 1.032,114 -0.61,115 -0.73,116 -0.86,121 40.6,123 2,124 1,126 4,127 3,129 1,144 8,145 2,146 2,154 2,159 1,176 9,180 5,187 12,189 3,191 1,192 7,200 9,203 3,205 1,206 5,208 1,214 5,216 2,219 6,221 1,227 10,229 1,232 2,239 9,241 2,243 2,244 7,251 6,253 1,256 6,264 3,266 2,268 2,269 5,277 5,281 1792,282 21.765,283 21.765,284 21.765,285 21.765,286 21.765,287 19.837,288 25.551,289 12.531,290 22.557,291 17.059,292 17.059,293 17.059,294 17.059,295 17.059,296 13.973,297 33.59,298 5.675,299 18.081,300 4.535,301 2.669,302 1.407,303 0.84,304 0.703,305 0.672,306 4.195,311 1,312 1,313 840,314 3.742,317 71.517,318 208.236,319 118.413,321 137.382,325 1.996,326 27.479,329 1,330 0.83,331 1,332 0.9,333 1,334 1,335 1,336 0.96,337 68.5,338 391,339 4.576,340 3.777,341 7,342 4.239,343 3.313,344 4.504,345 1.277,346 11.922,347 3.107,348 4.335,349 3.658,350 6.634,351 4.105,352 3.153,353 3.615,354 1.26,355 10.585,356 2.975,357 4.172,358 3.247,359 6.362,360 3.912,361 2.941,362 3.529,363 0.86,364 9.798,365 2.84,366 3.876,367 2.855,368 5.953,369 3.512,370 2.587,371 3.229,372 0.86,373 8.394,374 2.41,375 3.786,376 2.685,377 5.555,378 3.395,379 2.405,380 3.114,381 0.86,382 6.961,383 2.351,384 3.399,385 2.576,386 5.294,387 3.121,388 2.16,389 2.52,390 0.245,391 6.767,392 2.056,393 3.178,394 2.215,395 4.717,396 2.698,397 1.771,398 2.471,400 5.118,401 1.628,402 2.874,403 1.744,404 4.573,405 2.509,406 1.555,407 2.029,409 4.351,410 1.472,411 2.733,412 1.637,413 3.943,414 2.439,415 1.442,416 1.747,418 3.08,419 1.437,420 2.5,421 1.535,422 3.82,423 2,424 1.136,425 1.5,427 2.841,428 1,429 2.399,430 1.427,431 3.722,432 1.992,433 1,434 1.376,436 2.291,437 0.961,438 2.268,439 1.179,440 3.373,441 1.891,442 0.909,443 1.127,445 2.136,446 0.867,447 1.744,448 1.002,449 3.258,450 1.624,451 0.711,452 0.731,454 1.422,455 0.641,456 1.554,457 1,458 3.247,459 1.226,460 0.367,461 0.398,463 0.535,464 0.31,465 1.485,466 0.584,467 2.887,468 1.177,469 0.241,470 0.311,472 0.458,473 0.212,474 15.567,475 0.486,476 0.8,477 0.025,478 36.75,479 1.148,480 16.5,481 0.516,482 20.25,483 0.633,484 34.208,485 1.069,486 35.733,487 0.558,488 28.909,489 0.903,490 7.254,491 0.227,492 8.204,493 0.256,494 0.15,495 0.026,496 0.289,501 0.807,502 1.328,503 0.806,504 1.114,505 0.621,506 1.046,507 1.374,508 0.794,509 0.906,510 0.724,511 0.801,512 0.768,513 0.903,514 1.184,515 1.035,516 1.148,517 0.899,518 1.116,519 0.893,520 1.045,521 0.946,522 1.024,523 1.1,524 1.031,525 0.966,526 0.982,527 0.966,528 1,529 1.159,530 0.957,531 1.035,532 1.044,533 1.252,534 1.143,535 1.466,536 1.064,537 0.62,538 1.136,539 1.234,540 1.249,541 1.032,542 1.138,543 0.895,544 1.03,545 1.005,546 1.067,547 0.786,548 0.959,549 7.5,550 0.248,551 4,552 2.854,553 2.456,554 1.175,555 0.976,556 0.541,557 0.481,558 0.239,559 13717,560 32311,561 2.056,562 50,564 27,568 1,569 2,570 2,572 1.746,573 1.91,574 3.582,575 -0.805,582 93.789,583 1.465,584 3.331,585 4.593,586 5.16,587 5.297,588 5.328,589 3.079,590 4.5,591 4.969,592 3.737,593 1853.34,594 8.702,595 26592.7,597 1,600 384,601 1.574,602 4.918,603 0.214,604 0.009,605 0.08,606 0.051,607 0.047,608 0.023,609 0.022,610 0.014,611 0.013,612 0.007,613 0.48,614 0.33,615 1,616 0.895,617 167.389,618 0.013,619 -0.169,620 0.088,621 -0.053,622 0.007,623 -0.011,624 -0.186,625 0.315,626 0.084,627 0.275,628 -0.04,629 0.203,630 0.026,631 -0.11,632 -0.048,633 -0.106,634 0.017,635 -0.109,636 0.06,637 -0.056,638 0.016,639 -0.051,640 0.031,641 -0.048,642 0.009,643 -0.006,644 0.068,645 0.005,646 -0.006,647 0.03,648 -0.097,649 -0.034,650 -0.11,651 -0.058,652 -0.131,653 -0.06,654 0.132,655 -0.138,656 -0.113,657 -0.156,658 0.073,659 -0.116,660 0.011,661 -0.067,662 0.025,663 -0.052,664 0.094,665 0.039,666 1.482,667 6.631,668 0.688,669 34.188,670 0.995,671 1.12,672 -0.621,673 0.386,674 0.661,675 3.584,676 3.932,677 4.22,678 4.477,679 4.71,680 4.86,681 4.984,682 5.112,683 5.142,684 5.215,685 7.135,686 0.613,687 454.66,688 3.584,689 5.142,690 6.004,691 6.899,692 7.779,693 8.678,694 9.565,695 10.468,696 11.359,697 12.262,698 1.6,712 1,714 2,715 8,719 1,720 4,722 16,727 1,739 2,741 64,743 17,744 2,745 35,747 67,748 26,749 14,750 5,751 7,752 1,756 4,757 5,767 3,768 1,770 3,772 15,773 11,774 1,777 1,782 1,786 1,793 32,794 4,796 6,797 1,802 1,803 1,807 1,808 0.75,809 4,828 1,829 2,830 1,832 1,858 1,859 3,862 1,864 4,868 32,876 5,878 3,880 2,883 1,888 1,893 6.3,896 1,897 1,898 2,901 16.75,902 12.667,903 7.181,904 3.84,907 2.751,908 1.348,909 0.945,910 7.184,911 10.665,912 3.807,913 4.391,914 4.964,915 5.53,916 6.059,917 6.387,918 6.756,919 7.134,920 7.144,921 7.223,922 1,923 56,924 11.913,926 5.034,927 0.026,929 7.583,931 23.259,933 19.422,936 2.083,937 66.667,941 376.675,942 183.002,945 58.145,947 31.278,948 151.725,949 434.82,951 41.046,952 11.386,953 75.81,954 41.278,955 38.245,956 2.104,957 407.953,959 376.675,960 151.725,961 58.145,962 31.278,964 329.591,965 94.229,966 11,968 11.386,969 140.339,971 31.278,972 376.675,973 58.145,974 183.002,977 376.675,978 66.147,979 116.856,981 58.145,982 376.675,983 58.145,984 183.002,986 0.581,987 0.354,988 0.19,989 0.104,990 24,991 11,992 0.104,993 7,994 1,995 1.091,996 4.173,997 299.119,998 0.091,999 22,1000 156,1001 1,1005 23.218,1006 9.901,1007 5.03,1008 2.029,1009 58.145,1010 16.484,1014 1.524,1015 3.469,1018 617.822,1019 44,1024 13.631,1028 0.184,1031 63.683,1032 71.692,1034 0.244,1035 0.555,1036 0.766,1037 0.86,1038 0.883,1039 0.888,1040 5.069,1041 1.555,1042 6.023,1043 5.118,1044 4.615,1045 5.078,1046 2.413,1047 6.889,1048 4.51,1049 6.28,1050 1.442,1051 7.623,1052 4.351,1053 4.369,1054 4.966,1055 0.931,1056 8.067,1057 4.197,1058 7.607,1059 1.136,1060 9.328,1061 3.08,1062 6.308,1063 7.275,1064 2.52,1065 11.088,1066 6.104,1067 8.969,1068 1,1069 11.095,1070 2.841,1071 6.878,1072 7.976,1073 1.381,1074 13.049,1075 6.591,1076 10.361,1077 0.909,1078 12.901,1079 2.291,1080 8.308,1081 9.792,1082 2.788,1083 15.645,1084 7.993,1085 11.774,1086 0.711,1087 14.734,1088 2.136,1089 9.218,1090 10.875,1091 1.783,1092 17.896,1093 8.819,1094 13.202,1095 0.367,1096 16.584,1097 1.422,1098 10.47,1099 12.499,1100 3.152,1101 20.375,1102 10.035,1103 3.313,1104 0.241,1105 18.448,1106 0.535,1107 11.526,1108 13.781,1109 2.192,1110 22.74,1111 11.012,1112 3.153,1113 11.922,1114 20.322,1115 0.458,1116 12.717,1117 15.324,1118 3.572,1119 25.188,1120 12.156,1121 2.941,1122 10.585,1123 22.205,1124 4.504,1125 13.835,1126 16.712,1127 2.615,1128 27.601,1129 13.202,1130 2.587,1131 9.798,1132 24.093,1133 3.615,1134 15.007,1135 18.224,1136 4.021,1137 30.046,1138 14.32,1139 2.405,1140 8.394,1141 25.988,1142 3.529,1143 16.154,1144 19.667,1145 3.05,1146 32.481,1147 15.398,1148 2.16,1149 6.961,1150 27.887,1151 3.229,1152 17.323,1153 21.168,1154 4.486,1155 34.931,1156 16.507,1157 1.771,1158 6.767,1159 29.79,1160 3.114,1161 18.483,1162 22.64,1163 3.495,1164 37.379,1165 17.601,1166 13166,1167 20394,1168 23.057,1169 42.273,1170 52.257,1171 53.698,1172 54.96,1173 51.748,1174 51.82,1175 64.882,1176 10.725,1177 154.173,1178 48.945,1179 5.528,1180 5.777,1181 6.802,1182 5.361,1183 5.313,1184 7.504,1185 2.555,1186 19.181,1187 5.107,1188 16.66,1189 1.493,1190 1.534,1191 1.57,1192 1.479,1193 1.481,1194 1.854,1195 0.306,1196 4.405,1197 1.398,1198 4.107,1199 4.118,1200 4.341,1201 4.114,1202 7.426,1203 4.066,1204 3.989,1205 4.029,1206 3.911,1207 3.885,1208 4.969,1209 3.882,1210 3.836,1211 3.872,1212 3.749,1213 3.729,1214 4.758,1215 3.728,1216 3.599,1217 3.635,1218 3.606,1219 3.443,1220 4.633,1221 3.446,1222 3.462,1223 3.494,1224 3.412,1225 3.274,1226 4.525,1227 3.275,1228 3.32,1229 3.382,1230 3.174,1231 3.145,1232 4.496,1233 3.129,1234 3.249,1235 3.314,1236 3.076,1237 2.967,1238 4.282,1239 2.97,1240 3.135,1241 3.226,1242 2.921,1243 2.89,1244 3.82,1245 2.877,1246 0.131,1247 0.108,1248 0.2,1249 0.121,1250 0.095,1251 4.576,1252 0.129,1253 3.777,1254 0.036,1255 7,1256 0.341,1257 4.239,1258 0.089,1259 3.313,1260 4.504,1261 1.277,1262 11.922,1263 3.107,1264 1.939,1265 1.903,1266 2.084,1267 2.086,1268 1.402,1269 2.089,1270 1.909,1271 1.901,1272 1.972,1273 1.989,1274 1.335,1275 1.984,1276 1.781,1277 1.757,1278 1.935,1279 1.926,1280 1.14,1281 1.934,1282 1.725,1283 1.658,1284 1.929,1285 1.9,1286 1.086,1287 1.916,1288 1.432,1289 1.421,1290 1.592,1291 1.579,1292 0.756,1293 1.588,1294 1.225,1295 1.177,1296 1.576,1297 1.522,1298 0.685,1299 1.538,1300 1.198,1301 1.124,1302 1.569,1303 1.503,1304 0.584,1305 1.527,1306 1.176,1307 1.097,1308 1.511,1309 1.426,1310 0.579,1311 1.471,1312 4.263,1314 5.602,1315 2.398,1316 7.133,1317 4.844,1318 8.746,1319 7.034,1320 10.402,1322 7.285,1328 4.626,1330 16.704,1332 -0.194,1335 0.925,1340 39.233,1341 93.789,1342 213.206,1343 293.961,1344 330.226,1345 338.98,1346 340.98,1347 64.855,1348 7.914,1349 44.76,1350 73,1351 24,1352 12.784,1353 4.17,1354 3.322,1355 51.836,1356 135,1357 141,1358 0.185,1359 242.552,1360 421.09,1361 583.588,1362 30429,1364 22.717,1365 0.71,1366 0.63,1367 23.071,1368 20.167,1369 15.458,1370 0.442,1371 0.344,1372 11.105,1373 14.348,1374 10.644,1375 8.871,1376 15.866,1377 12.043,1378 13.847,1379 0.277,1380 0.205,1381 14.489,1382 10.235,1383 12.059,1384 0.18,1385 0.12,1386 12.881,1387 8.031,1388 9.893,1389 0.114,1390 0.07,1391 10.785,1392 6.101,1393 7.979,1394 0.073,1395 0.041,1396 8.851,1397 4.512,1398 0.291,1399 101.534,1400 0.208,1401 29.775,1402 0.51,1403 170,1404 454.135,1405 208.805,1406 447.453,1407 608.34,1408 422,1409 202,1410 418.078,1411 241.175,1412 444.838,1413 648.78,1414 413,1415 6.921}
{0 CHEMBL186042,1 1.467,2 14.067,3 4.788,4 22.928,5 122.132,6 7.511,7 0.545,8 4.107,9 4.207,10 3.73,11 3.722,12 5.164,13 3.665,14 4.648,15 4.804,16 4.087,17 4.127,18 5.613,19 4.038,20 4.856,21 5.025,22 4.149,23 4.253,24 5.85,25 4.134,26 4.935,27 5.14,28 4.032,29 4.214,30 5.875,31 4.075,32 4.937,33 5.176,34 3.969,35 4.147,36 5.838,37 4.006,38 4.806,39 5.015,40 3.867,41 4.096,42 5.778,43 3.942,44 4.777,45 5.021,46 3.721,47 4.007,48 5.692,49 3.814,50 4.618,51 4.873,52 3.566,53 3.811,54 5.464,55 3.665,56 0.02,57 0.721,58 11.965,59 5.752,60 8.846,61 7.123,62 0.199,63 1.23,64 24.557,65 10.006,66 21.526,67 12.03,68 0.322,69 1.493,70 32.293,71 12.858,72 35.257,73 15.588,74 0.262,75 1.587,76 35.446,77 13.754,78 40.21,79 17.077,80 0.345,81 1.569,82 36.576,83 13.528,84 42.66,85 17.06,86 0.265,87 1.392,88 31.59,89 12.273,90 41.639,91 15.027,92 0.446,93 1.354,94 33.168,95 12.652,96 51.288,97 16.065,98 0.212,99 1.14,100 26.417,101 9.857,102 26.692,103 12.973,104 14,105 45,106 0.24,107 0.534,108 0.716,109 0.815,110 0.829,111 0.835,112 3.44,113 1.009,114 -4.73,115 -4.64,116 -4.36,121 44.6,123 3,126 2,127 1,129 1,144 9,145 3,146 3,147 2,158 1,176 12,180 3,187 15,189 3,191 1,192 6,200 10,203 3,206 5,214 5,216 3,219 6,227 10,229 2,239 14,243 2,244 2,246 1,251 11,256 2,264 9,266 2,269 3,277 3,279 1,281 1526,282 20.704,283 20.704,284 20.704,285 20.704,286 20.704,287 18.375,288 24.64,289 12.263,290 21.288,291 16.191,292 16.191,293 16.191,294 16.191,295 16.191,296 12.548,297 29.017,298 5.716,299 16.959,300 4.34,301 2.548,302 1.434,303 0.826,304 0.741,305 0.706,306 4.139,311 1,312 1,313 917,314 3.464,317 73.568,318 315.63,321 139.527,325 2.271,326 21.098,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 63.5,338 422,339 4.433,340 4.688,341 6.437,342 4.067,343 3.12,344 4.091,345 3.389,346 10.099,347 2.95,348 4.092,349 3.68,350 6.068,351 3.727,352 2.76,353 3.677,354 1.975,355 8.762,356 2.679,357 3.978,358 3.174,359 5.709,360 3.668,361 2.711,362 3.411,363 0.86,364 7.793,365 2.602,366 3.855,367 2.932,368 5.614,369 3.467,370 2.476,371 3.251,372 0.86,373 7.462,374 2.45,375 3.644,376 2.776,377 5.327,378 3.284,379 2.308,380 2.919,381 0.522,382 6.917,383 2.223,384 3.417,385 2.655,386 4.954,387 3.014,388 2.059,389 2.712,391 5.863,392 1.956,393 3.093,394 2.38,395 4.717,396 2.698,397 1.771,398 2.285,400 5.118,401 1.628,402 2.866,403 2.203,404 4.114,405 2.421,406 1.427,407 2.023,409 3.487,410 1.417,411 2.5,412 2.096,413 3.943,414 2.236,415 1.273,416 1.5,418 3.035,419 1.204,420 2.5,421 1.509,422 3.592,423 2,424 1.136,425 1.5,427 2.841,428 1,429 2.472,430 1.104,431 3.414,432 1.984,433 1,434 1.429,436 2.275,437 0.983,438 2.223,439 1.054,440 3.247,441 1.983,442 1,443 1.204,445 2.136,446 0.946,447 1.837,448 1,449 3.093,450 1.556,451 0.543,452 0.651,454 1.26,455 0.542,456 1.473,457 1,458 2.887,459 1.209,460 0.358,461 0.389,463 0.487,464 0.302,465 1.388,466 0.822,467 2.783,468 1.121,469 0.241,470 0.271,472 0.458,473 0.209,474 14.733,475 0.491,476 0.601,477 0.02,478 38.5,479 1.283,480 20,481 0.667,482 18.5,483 0.617,484 25.673,485 0.856,486 31.767,487 0.567,488 27.385,489 0.913,490 7.559,491 0.252,492 7.098,493 0.237,494 0.09,496 0.299,501 0.756,502 1.154,503 0.764,504 0.992,505 0.585,506 0.948,507 1.206,508 0.916,509 0.991,510 0.883,511 0.786,512 0.869,513 0.934,514 1.158,515 1.158,516 1.191,517 1.195,518 1.122,519 1.025,520 1.175,521 1.114,522 1.183,523 1.287,524 1.138,525 1.103,526 0.911,527 0.946,528 0.922,529 0.848,530 0.907,531 1.159,532 1.045,533 1.203,534 1.106,535 1.544,536 1.1,537 0.438,538 1.013,539 1.155,540 1.139,541 0.797,542 1.056,543 0.836,544 0.927,545 0.867,546 0.917,547 0.78,548 0.884,549 6,550 0.188,551 2.889,552 1.604,553 1.743,554 0.827,555 0.6,556 0.414,557 0.172,558 0.142,559 13968,560 33958,561 2.107,562 46.4,563 2,564 18,566 2,568 2,569 2,572 1.721,573 2,574 3.769,575 -0.825,582 82.149,583 1.467,584 3.259,585 4.373,586 4.981,587 5.066,588 5.102,589 3.248,590 4.04,591 4.877,592 3.955,593 1720.21,594 8.466,595 25507.5,597 1,600 325.212,601 1.295,602 4.851,603 0.182,604 0.008,605 0.064,606 0.036,607 0.045,608 0.022,609 0.018,610 0.015,611 0.007,612 0.006,613 0.403,614 0.17,615 1,616 0.756,617 158.474,618 0.012,619 -0.096,620 0.079,621 -0.013,622 0.006,623 0.01,624 -0.139,625 0.145,626 0.026,627 0.14,628 -0.068,629 0.089,630 0.052,631 -0.13,632 -0.095,633 -0.137,634 -0.073,635 -0.144,636 -0.044,637 -0.181,638 -0.097,639 -0.175,640 -0.099,641 -0.157,642 -0.048,643 0.068,644 0.061,645 0.056,646 0.053,647 0.074,648 -0.132,649 -0.048,650 -0.141,651 -0.074,652 -0.116,653 -0.116,654 0.319,655 -0.036,656 -0.025,657 -0.061,658 0.217,659 -0.03,660 0.018,661 0.029,662 0.093,663 0.046,664 0.075,665 0.115,666 1.366,667 5.816,668 0.7,669 35.649,670 0.995,671 1.111,672 3.497,673 12.226,674 0.688,675 3.526,676 3.829,677 4.094,678 4.331,679 4.564,680 4.605,681 4.71,682 4.836,683 4.787,684 4.736,685 8.208,686 0.642,687 420.59,688 3.526,689 5.056,690 5.9,691 6.765,692 7.626,693 8.496,694 9.365,695 10.239,696 11.112,697 11.989,698 1.8,708 1,715 11,720 6,721 1,722 18,739 2,741 56,743 19,744 2,745 33,747 59,748 25,749 17,750 5,751 7,756 4,757 5,767 2,770 4,772 18,773 7,777 1,782 1,786 1,793 26,794 3,796 5,797 1,802 1,803 1,808 0.75,809 3,822 1,828 1,829 3,832 1,841 1,859 3,860 1,862 1,864 2,868 30,876 4,878 2,879 1,880 1,893 5.4,896 1,898 2,901 15,902 10.667,903 6.75,904 3.306,907 3.162,908 1.407,909 0.977,910 6.756,911 10.937,912 3.784,913 4.35,914 4.877,915 5.382,916 5.922,917 6.009,918 6.26,919 6.592,920 6.735,921 6.839,922 1,923 45,924 11.116,926 4.657,927 0.026,929 7.594,931 21.639,933 17.822,936 2.094,937 62.833,940 1,941 306.049,942 193.804,943 1.899,945 47.145,947 32.22,948 161.584,949 353.193,950 1.899,951 21.766,952 9.709,953 85.286,954 55.72,955 61.689,957 314.726,959 306.049,960 163.483,961 47.145,962 32.22,964 282.506,965 70.687,968 27.804,969 133.78,970 1.899,971 32.22,972 306.049,973 49.044,974 193.804,977 306.049,978 68.657,979 127.046,981 47.145,982 306.049,983 49.044,984 193.804,986 0.572,987 0.34,988 0.181,989 0.102,990 21,991 9,992 0.136,993 8,994 1,995 1.095,996 4.321,997 255.644,998 0.095,999 21,1000 139.207,1001 1,1005 20.953,1006 9.673,1007 5.075,1009 47.145,1010 22.781,1015 6.182,1016 2.158,1018 548.896,1019 43,1024 12.816,1028 0.301,1031 55.705,1032 62.237,1034 0.253,1035 0.561,1036 0.753,1037 0.858,1038 0.872,1039 0.879,1040 5.007,1041 1.427,1042 5.866,1043 5.118,1044 4.511,1045 5.037,1046 3.508,1047 6.642,1048 4.426,1049 6.192,1050 1.273,1051 7.402,1052 3.487,1053 4.007,1054 4.732,1055 2.036,1056 7.445,1057 3.883,1058 7.482,1059 1.136,1060 9.032,1061 3.035,1062 6.075,1063 7.164,1064 5.625,1065 10.511,1066 5.916,1067 8.805,1068 1,1069 10.717,1070 2.841,1071 6.399,1072 7.642,1073 4.168,1074 12.123,1075 6.18,1076 10.158,1077 1,1078 12.437,1079 2.275,1080 7.901,1081 9.548,1082 7.986,1083 14.685,1084 7.66,1085 11.53,1086 0.543,1087 14.18,1088 2.136,1089 8.613,1090 10.402,1091 6.596,1092 16.649,1093 8.301,1094 12.916,1095 0.358,1096 15.941,1097 1.26,1098 9.88,1099 12.071,1100 10.393,1101 19.032,1102 9.543,1103 3.12,1104 0.241,1105 17.714,1106 0.487,1107 10.787,1108 13.136,1109 9.16,1110 21.164,1111 10.376,1112 2.76,1113 10.099,1114 19.497,1115 0.458,1116 11.953,1117 14.68,1118 12.812,1119 23.483,1120 11.509,1121 2.711,1122 8.762,1123 21.289,1124 4.091,1125 12.96,1126 15.872,1127 11.751,1128 25.698,1129 12.444,1130 2.476,1131 7.793,1132 23.088,1133 3.677,1134 14.086,1135 17.347,1136 15.235,1137 27.997,1138 13.528,1139 2.308,1140 7.462,1141 24.892,1142 3.411,1143 15.144,1144 18.619,1145 14.332,1146 30.253,1147 14.517,1148 2.059,1149 6.917,1150 26.702,1151 3.251,1152 16.258,1153 20.055,1154 17.659,1155 32.548,1156 15.581,1157 1.771,1158 5.863,1159 28.516,1160 2.919,1161 17.344,1162 21.377,1163 16.895,1164 34.827,1165 16.601,1166 13166,1167 20672,1168 22.364,1169 38.534,1170 48.504,1171 52.016,1172 49.977,1173 48.375,1174 48.447,1175 62.721,1176 15.211,1177 136.177,1178 46.256,1179 5.371,1180 6.688,1181 6.239,1182 5.184,1183 5.12,1184 7.091,1185 6.716,1186 16.854,1187 4.95,1188 12.818,1189 1.47,1190 1.576,1191 1.514,1192 1.466,1193 1.468,1194 1.901,1195 0.461,1196 4.127,1197 1.402,1198 4.038,1199 4.073,1200 4.137,1201 3.982,1202 7.426,1203 3.959,1204 3.971,1205 3.988,1206 3.94,1207 3.899,1208 4.923,1209 3.894,1210 3.842,1211 3.876,1212 3.767,1213 3.774,1214 4.82,1215 3.769,1216 3.633,1217 3.66,1218 3.619,1219 3.492,1220 4.69,1221 3.495,1222 3.383,1223 3.434,1224 3.348,1225 3.223,1226 4.495,1227 3.212,1228 3.247,1229 3.313,1230 3.073,1231 3.007,1232 4.334,1233 3.006,1234 3.182,1235 3.241,1236 3.057,1237 2.958,1238 3.964,1239 2.962,1240 3.027,1241 3.112,1242 2.885,1243 2.843,1244 3.721,1245 2.824,1246 0.134,1247 0.142,1248 0.195,1249 0.123,1250 0.095,1251 4.433,1252 0.124,1253 4.688,1254 0.103,1255 6.437,1256 0.306,1257 4.067,1258 0.089,1259 3.12,1260 4.091,1261 3.389,1262 10.099,1263 2.95,1264 1.971,1265 1.934,1266 2.093,1267 2.101,1268 1.285,1269 2.101,1270 1.87,1271 1.859,1272 1.994,1273 1.967,1274 1.195,1275 1.969,1276 1.852,1277 1.822,1278 1.947,1279 1.942,1280 1.136,1281 1.953,1282 1.627,1283 1.6,1284 1.773,1285 1.785,1286 0.987,1287 1.792,1288 1.335,1289 1.274,1290 1.6,1291 1.545,1292 0.841,1293 1.568,1294 1.2,1295 1.144,1296 1.574,1297 1.519,1298 0.59,1299 1.536,1300 1.187,1301 1.111,1302 1.495,1303 1.432,1304 0.575,1305 1.471,1306 1.097,1307 1.031,1308 1.383,1309 1.279,1310 0.565,1311 1.321,1312 4.205,1314 5.509,1315 2.398,1316 7.008,1317 4.727,1318 8.59,1319 6.843,1320 10.215,1322 3.272,1328 2.933,1330 10.773,1331 1.643,1332 -0.024,1340 35.938,1341 82.149,1342 182.516,1343 244.908,1344 278.947,1345 283.702,1346 285.702,1347 50.55,1348 7.775,1349 39.41,1350 64.71,1351 23,1352 12.528,1353 4.322,1354 3.459,1355 47.509,1356 150,1357 142,1358 0.153,1359 223.109,1360 389.72,1361 536.146,1362 28808,1364 20.924,1365 0.697,1366 0.607,1367 21.278,1368 18.206,1369 14.657,1370 0.444,1371 0.336,1372 10.169,1373 13.727,1374 9.783,1375 8.121,1376 15.065,1377 11.1,1378 12.741,1379 0.283,1380 0.196,1381 13.383,1382 8.815,1383 10.997,1384 0.186,1385 0.117,1386 11.834,1387 6.883,1388 8.848,1389 0.118,1390 0.068,1391 9.72,1392 5.117,1393 7.347,1394 0.077,1395 0.038,1396 8.158,1397 3.651,1398 0.25,1399 95.442,1400 0.211,1401 29.144,1402 0.392,1403 156,1404 418.4,1405 191.565,1406 421.281,1407 575.07,1408 398,1409 182,1410 397.381,1411 216.687,1412 421.002,1413 610.96,1414 394,1415 8.339}
{0 CHEMBL186090,1 1.422,2 13.194,3 3.345,4 11.19,5 127.932,6 6.963,7 0.353,8 4.213,9 4.327,10 3.77,11 3.79,12 5.19,13 3.723,14 4.804,15 4.984,16 4.151,17 4.231,18 5.669,19 4.133,20 5.098,21 5.287,22 4.273,23 4.456,24 5.983,25 4.319,26 5.289,27 5.544,28 4.175,29 4.47,30 6.088,31 4.296,32 5.24,33 5.497,34 4.129,35 4.402,36 6.055,37 4.23,38 5.146,39 5.386,40 4.023,41 4.37,42 5.984,43 4.176,44 5.113,45 5.388,46 3.891,47 4.258,48 5.924,49 4.046,50 4.898,51 5.153,52 3.757,53 4.066,54 5.747,55 3.894,56 0.044,57 0.845,58 15.052,59 6.711,60 10.157,61 8.677,62 0.263,63 1.468,64 30.449,65 11.578,66 20.814,67 14.829,68 0.378,69 1.918,70 41.781,71 16.388,72 36.168,73 21.12,74 0.368,75 2.195,76 50.818,77 19.176,78 46.573,79 25.522,80 0.443,81 2.049,82 48.306,83 17.896,84 53.595,85 23.65,86 0.394,87 1.917,88 46.451,89 17.646,90 45.928,91 22.533,92 0.496,93 1.831,94 45.488,95 16.765,96 58.074,97 22.257,98 0.311,99 1.454,100 34.38,101 12.791,102 44.258,103 16.786,104 21,105 48,106 0.229,107 0.538,108 0.772,109 0.842,110 0.855,111 0.86,112 3.472,113 1.061,114 -1.4,115 -1.48,116 -1.53,121 41.3,123 3,124 1,126 3,127 3,129 1,137 2,144 7,145 2,146 3,158 1,176 12,180 3,187 15,189 3,191 1,192 6,200 10,203 4,206 6,214 5,216 3,219 5,227 13,229 1,234 1,239 15,243 2,244 2,251 13,253 2,256 3,264 6,266 1,269 6,277 3,279 2,281 1595,282 21.049,283 21.049,284 21.049,285 21.049,286 21.049,287 19.236,288 26.356,289 12.284,290 21.664,291 16.67,292 16.67,293 16.67,294 16.67,295 16.67,296 13.814,297 31.385,298 5.688,299 17.511,300 4.555,301 2.638,302 1.185,303 0.746,304 0.671,305 0.639,306 4.167,311 1,312 1,313 884,314 3.674,317 72.674,318 205.659,319 117.474,321 138.572,325 2.083,326 23.209,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 65.5,338 409,339 4.433,340 4.688,341 6.995,342 4.21,343 3.294,344 4.091,345 3.389,346 11.906,347 3.024,348 4.325,349 3.702,350 6.438,351 4.069,352 3.122,353 3.534,354 1.975,355 10.107,356 2.953,357 3.997,358 3.679,359 6.08,360 3.742,361 2.771,362 3.264,363 1.31,364 8.815,365 2.702,366 3.809,367 3.176,368 5.742,369 3.46,370 2.488,371 3.172,372 0.86,373 7.691,374 2.419,375 3.695,376 2.802,377 5.318,378 3.382,379 2.397,380 2.95,381 0.86,382 6.82,383 2.331,384 3.403,385 2.629,386 5.252,387 3.151,388 2.163,389 2.495,390 0.359,391 6.586,392 2.121,393 3.093,394 2.529,395 4.717,396 2.698,397 1.771,398 2.285,399 0.13,400 5.118,401 1.628,402 2.873,403 2.378,404 4.021,405 2.442,406 1.444,407 2.026,409 3.199,410 1.44,411 2.692,412 2.096,413 3.943,414 2.296,415 1.307,416 1.62,418 3.058,419 1.29,420 2.5,421 1.648,422 3.849,423 2.108,424 1.136,425 1.5,427 2.841,428 1.082,429 2.381,430 1.525,431 3.711,432 2,433 1.127,434 1.288,436 2.834,437 1,438 2.223,439 1.054,440 3.328,441 1.978,442 1,443 1.204,445 2.136,446 0.939,447 1.574,448 1,449 3.247,450 1.451,451 0.461,452 0.491,454 1.111,455 0.453,456 1.473,457 0.85,458 2.921,459 1.21,460 0.36,461 0.389,463 0.489,464 0.303,465 1.388,466 0.796,467 2.887,468 1.121,469 0.241,470 0.271,472 0.458,473 0.209,474 15.233,475 0.491,476 0.766,477 0.025,478 35.25,479 1.137,480 16,481 0.516,482 19.25,483 0.621,484 32.251,485 1.04,486 34.267,487 0.544,488 25.935,489 0.837,490 6.778,491 0.219,492 8.214,493 0.265,494 0.12,495 0.026,496 0.263,501 0.783,502 1.284,503 0.824,504 1.078,505 0.597,506 1.037,507 1.262,508 0.889,509 0.998,510 0.852,511 0.73,512 0.862,513 0.853,514 1.218,515 1.13,516 1.21,517 1.039,518 1.176,519 0.81,520 1.059,521 0.95,522 1.049,523 0.961,524 1.028,525 1.063,526 0.927,527 0.905,528 0.911,529 1.086,530 0.946,531 0.924,532 1.064,533 1.234,534 1.162,535 1.397,536 1.107,537 0.462,538 1.014,539 1.054,540 1.095,541 0.763,542 1,543 1.128,544 0.93,545 0.981,546 0.921,547 1.518,548 0.945,549 7.5,550 0.123,551 3.333,552 2.354,553 2.216,554 0.744,555 0.865,556 0.404,557 0.248,558 0.294,559 13922,560 31042,561 2.077,562 50.8,563 1,564 25,568 2,569 4,572 1.733,573 1.948,574 3.695,575 -0.831,577 1,582 89.602,583 1.422,584 3.339,585 4.792,586 5.231,587 5.306,588 5.338,589 3.139,590 4.156,591 4.926,592 3.855,593 1792.37,594 8.583,595 26134.2,597 1,600 376.569,601 1.501,602 4.881,603 0.221,604 0.005,605 0.069,606 0.046,607 0.049,608 0.018,609 0.023,610 0.012,611 0.008,612 0.011,613 0.462,614 0.33,615 1,616 0.796,617 163.086,618 0.027,619 -0.136,620 0.087,621 -0.027,622 0.015,623 0.003,624 -0.147,625 0.233,626 0.044,627 0.182,628 -0.028,629 0.128,630 0.05,631 -0.155,632 -0.1,633 -0.153,634 -0.036,635 -0.163,636 0.018,637 -0.08,638 0.01,639 -0.074,640 0.012,641 -0.04,642 -0.047,643 0.036,644 0.049,645 0.042,646 -0.014,647 0.027,648 -0.033,649 -0.066,650 -0.126,651 -0.09,652 -0.114,653 -0.099,654 0.237,655 -0.049,656 0.019,657 -0.053,658 0.195,659 0.006,660 -0.084,661 0.035,662 -0.003,663 0.045,664 -0.073,665 0.03,666 1.339,667 6.133,668 0.71,669 33.944,670 0.99,671 1.119,672 0.167,673 0.028,674 0.664,675 3.555,676 3.892,677 4.143,678 4.394,679 4.615,680 4.718,681 4.812,682 4.934,683 4.898,684 4.913,685 7.683,686 0.611,687 438.66,688 3.555,689 5.106,690 5.953,691 6.838,692 7.703,693 8.592,694 9.464,695 10.354,696 11.23,697 12.122,698 1.6,712 1,715 7,720 5,722 12,739 2,741 63,743 14,744 2,745 34,747 66,748 26,749 12,750 5,751 7,756 4,757 5,767 3,768 1,770 4,772 15,773 11,774 1,777 2,782 1,784 2,786 1,790 1,793 32,794 3,796 5,797 1,802 1,803 1,807 1,808 0.75,809 3,828 1,829 2,830 1,832 1,841 1,849 2,859 3,860 1,862 1,864 3,868 31,876 6,878 2,879 1,880 2,883 1,893 4.8,896 1,898 2,901 15.917,902 12.083,903 6.875,904 3.847,907 2.34,908 1.298,909 0.942,910 6.978,911 10.185,912 3.761,913 4.29,914 4.762,915 5.244,916 5.724,917 5.853,918 6.042,919 6.296,920 6.325,921 6.361,922 0.889,923 51,924 11.541,926 4.87,927 0.026,929 7.532,931 22.766,933 19.198,936 2.032,937 63,940 1,941 376.675,942 185.131,945 47.145,947 32.22,948 152.912,949 423.82,951 30.162,952 13.921,953 85.286,954 30.278,955 40.409,957 408.895,959 376.675,960 152.912,961 47.145,962 32.22,964 329.591,965 94.229,968 13.921,969 120.038,970 18.952,971 32.22,972 376.675,973 47.145,974 185.131,977 376.675,978 69.682,979 115.449,981 47.145,982 376.675,983 47.145,984 185.131,986 0.58,987 0.342,988 0.183,989 0.101,990 23,991 10,992 0.106,993 7,994 1,995 1.091,996 4.239,997 276.812,998 0.091,999 22,1000 149.58,1001 1,1005 22.291,1006 9.705,1007 5.296,1009 47.145,1010 14.726,1015 5.157,1018 608.951,1019 42,1024 13.133,1026 4.575,1028 0.355,1031 62.356,1032 70.482,1034 0.238,1035 0.559,1036 0.802,1037 0.875,1038 0.888,1039 0.893,1040 5.024,1041 1.444,1042 5.964,1043 5.118,1044 4.575,1045 4.977,1046 3.579,1047 6.799,1048 4.483,1049 6.216,1050 1.307,1051 7.542,1052 3.199,1053 4.29,1054 4.758,1055 2.219,1056 7.936,1057 4.122,1058 7.524,1059 1.136,1060 9.225,1061 3.058,1062 6.24,1063 7.052,1064 5.637,1065 10.933,1066 6.047,1067 8.863,1068 1.127,1069 10.972,1070 2.841,1071 6.77,1072 7.601,1073 4.221,1074 12.881,1075 6.471,1076 10.232,1077 1,1078 12.761,1079 2.834,1080 8.209,1081 9.409,1082 7.988,1083 15.459,1084 7.887,1085 11.62,1086 0.461,1087 14.577,1088 2.136,1089 9.091,1090 10.321,1091 6.604,1092 17.716,1093 8.657,1094 13.023,1095 0.36,1096 16.415,1097 1.111,1098 10.346,1099 11.923,1100 10.394,1101 20.186,1102 9.873,1103 3.294,1104 0.241,1105 18.267,1106 0.489,1107 11.385,1108 13.033,1109 9.161,1110 22.562,1111 10.806,1112 3.122,1113 11.906,1114 20.132,1115 0.458,1116 12.574,1117 14.536,1118 12.812,1119 25.012,1120 11.94,1121 2.771,1122 10.107,1123 22.008,1124 4.091,1125 13.683,1126 15.762,1127 11.751,1128 27.437,1129 12.95,1130 2.488,1131 8.815,1132 23.891,1133 3.534,1134 14.853,1135 17.214,1136 15.235,1137 29.888,1138 14.052,1139 2.397,1140 7.691,1141 25.781,1142 3.264,1143 15.994,1144 18.51,1145 14.332,1146 32.335,1147 15.1,1148 2.163,1149 6.82,1150 27.678,1151 3.172,1152 17.16,1153 19.936,1154 17.659,1155 34.792,1156 16.19,1157 1.771,1158 6.586,1159 29.58,1160 2.95,1161 18.317,1162 21.275,1163 16.895,1164 37.249,1165 17.259,1166 13225,1167 19923,1168 22.652,1169 41.819,1170 50.657,1171 53.869,1172 52.188,1173 50.047,1174 50.168,1175 61.156,1176 17.766,1177 146.336,1178 47.786,1179 5.411,1180 6.688,1181 6.797,1182 5.329,1183 5.294,1184 7.091,1185 6.716,1186 18.674,1187 5.024,1188 14.83,1189 1.49,1190 1.584,1191 1.535,1192 1.472,1193 1.476,1194 1.799,1195 0.523,1196 4.304,1197 1.405,1198 4.04,1199 4.082,1200 4.138,1201 3.983,1202 7.426,1203 3.957,1204 3.965,1205 3.986,1206 3.911,1207 3.884,1208 4.922,1209 3.878,1210 3.837,1211 3.875,1212 3.746,1213 3.75,1214 4.758,1215 3.743,1216 3.633,1217 3.67,1218 3.61,1219 3.477,1220 4.495,1221 3.48,1222 3.44,1223 3.488,1224 3.391,1225 3.284,1226 4.482,1227 3.276,1228 3.266,1229 3.331,1230 3.139,1231 3.127,1232 4.333,1233 3.108,1234 3.247,1235 3.313,1236 3.067,1237 2.972,1238 4.07,1239 2.974,1240 3.185,1241 3.252,1242 3.007,1243 2.958,1244 3.784,1245 2.961,1246 0.13,1247 0.138,1248 0.206,1249 0.124,1250 0.097,1251 4.433,1252 0.12,1253 4.688,1254 0.1,1255 6.995,1256 0.35,1257 4.21,1258 0.089,1259 3.294,1260 4.091,1261 3.389,1262 11.906,1263 3.024,1264 1.938,1265 1.901,1266 2.081,1267 2.082,1268 1.402,1269 2.085,1270 1.87,1271 1.86,1272 1.989,1273 1.969,1274 1.29,1275 1.968,1276 1.797,1277 1.761,1278 1.939,1279 1.921,1280 1.171,1281 1.938,1282 1.717,1283 1.65,1284 1.913,1285 1.889,1286 1.057,1287 1.903,1288 1.513,1289 1.484,1290 1.672,1291 1.657,1292 0.975,1293 1.678,1294 1.216,1295 1.16,1296 1.575,1297 1.522,1298 0.661,1299 1.538,1300 1.19,1301 1.116,1302 1.542,1303 1.482,1304 0.635,1305 1.509,1306 1.145,1307 1.071,1308 1.487,1309 1.356,1310 0.575,1311 1.407,1312 4.234,1314 5.565,1315 2.398,1316 7.077,1317 4.844,1318 8.671,1319 7.018,1320 10.307,1322 5.623,1328 5.592,1330 10.845,1331 1.675,1332 0.324,1335 0.994,1340 38.518,1341 89.602,1342 210.346,1343 301.898,1344 329.549,1345 334.304,1346 336.304,1347 58.745,1348 7.845,1349 35.53,1350 60.83,1351 24,1352 12.653,1353 3.907,1354 3.17,1355 49.696,1356 145,1357 136,1358 0.167,1359 238.556,1360 423.2,1361 573.837,1362 30021,1364 21.847,1365 0.705,1366 0.63,1367 22.2,1368 19.543,1369 14.992,1370 0.441,1371 0.354,1372 11.071,1373 14.032,1374 10.622,1375 8.836,1376 15.401,1377 12.023,1378 13.588,1379 0.283,1380 0.218,1381 14.231,1382 10.445,1383 11.369,1384 0.183,1385 0.129,1386 12.206,1387 8.023,1388 9.349,1389 0.117,1390 0.076,1391 10.211,1392 6.098,1393 7.573,1394 0.076,1395 0.045,1396 8.411,1397 4.523,1398 0.268,1399 97.626,1400 0.21,1401 29.473,1402 0.442,1403 164,1404 402.4,1405 199.926,1406 404.911,1407 551.25,1408 382,1409 192,1410 379.099,1411 227.853,1412 403.358,1413 586.13,1414 376,1415 6.123}
{0 CHEMBL186144,1 1.439,2 12.333,3 4.002,4 16.014,5 122.287,6 7.077,7 0.485,8 4.17,9 4.281,10 3.742,11 3.749,12 5.159,13 3.686,14 4.756,15 4.936,16 4.126,17 4.184,18 5.635,19 4.095,20 5.049,21 5.24,22 4.263,23 4.408,24 5.94,25 4.282,26 5.26,27 5.51,28 4.195,29 4.448,30 6.08,31 4.28,32 5.21,33 5.462,34 4.133,35 4.391,36 6.046,37 4.214,38 5.099,39 5.341,40 4.017,41 4.344,42 5.938,43 4.151,44 5.022,45 5.271,46 3.857,47 4.216,48 5.899,49 4.016,50 4.817,51 5.06,52 3.735,53 4.023,54 5.67,55 3.855,56 0.037,57 0.805,58 14.119,59 6.354,60 9.403,61 8.141,62 0.255,63 1.392,64 28.078,65 10.767,66 20.467,67 13.803,68 0.347,69 1.827,70 38.919,71 15.34,72 31.265,73 19.842,74 0.392,75 2.141,76 49.507,77 18.522,78 46.945,79 24.38,80 0.488,81 2.015,82 49.533,83 18.095,84 53.569,85 23.243,86 0.291,87 1.87,88 45.462,89 17.135,90 43.05,91 21.954,92 0.482,93 1.685,94 40.655,95 15.407,96 61.14,97 20.029,98 0.19,99 1.375,100 33.071,101 12.592,102 31.465,103 16.187,104 21,105 47,106 0.233,107 0.528,108 0.729,109 0.82,110 0.843,111 0.849,112 3.44,113 1.051,114 -1.19,115 -1.28,116 -1.36,121 41.7,123 3,124 1,126 3,127 3,144 8,145 2,146 2,154 2,159 1,176 11,180 3,187 13,189 3,191 1,192 7,200 9,203 4,206 5,214 7,216 2,219 4,221 1,227 12,229 1,239 13,241 2,243 2,244 3,251 8,253 1,256 6,264 4,266 2,269 4,277 5,281 1450,282 20.394,283 20.394,284 20.394,285 20.394,286 20.394,287 18.466,288 22.723,289 11.828,290 21.015,291 16.154,292 16.154,293 16.154,294 16.154,295 16.154,296 13.064,297 28.578,298 5.442,299 16.999,300 4.468,301 2.648,302 1.409,303 0.85,304 0.704,305 0.671,306 4.135,311 1,312 1,313 800,314 3.536,317 67.744,318 193.761,319 109.682,321 129.601,325 2.022,326 22.422,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 63.5,338 370,339 4.573,340 3.74,341 6.995,342 4.217,343 3.298,344 4.504,345 1.277,346 11.908,347 3.059,348 4.322,349 3.657,350 6.511,351 4.091,352 3.14,353 3.604,354 1.26,355 10.266,356 2.972,357 4.141,358 3.244,359 6.268,360 3.84,361 2.857,362 3.529,363 0.86,364 9.367,365 2.799,366 3.825,367 2.73,368 5.876,369 3.443,370 2.495,371 3.188,372 0.86,373 8.093,374 2.395,375 3.779,376 2.587,377 5.299,378 3.39,379 2.403,380 3.109,381 0.245,382 6.792,383 2.314,384 3.178,385 2.215,386 5.105,387 2.849,388 1.882,389 2.471,391 5.819,392 1.808,393 3.107,394 2.103,395 4.717,396 2.698,397 1.771,398 2.218,400 5.118,401 1.627,402 2.873,403 1.647,404 3.943,405 2.439,406 1.442,407 2.026,409 3.089,410 1.437,411 2.5,412 1.535,413 3.85,414 2.286,415 1.297,416 1.5,418 2.882,419 1.28,420 2.42,421 1.427,422 3.793,423 2,424 1.136,425 1.376,427 2.841,428 1,429 2.399,430 1.335,431 3.647,432 1.991,433 1,434 1.347,436 2.224,437 0.959,438 2.24,439 1.002,440 3.294,441 1.867,442 0.867,443 1.126,445 2.136,446 0.843,447 1.554,448 1,449 3.247,450 1.273,451 0.369,452 0.399,454 0.69,455 0.314,456 1.486,457 0.583,458 2.887,459 1.202,460 0.262,461 0.311,463 0.474,464 0.256,465 1.399,466 0.518,467 2.81,468 1.12,469 0.241,470 0.289,472 0.458,473 0.208,474 14.733,475 0.491,476 0.749,477 0.025,478 35.25,479 1.175,480 16.5,481 0.55,482 18.75,483 0.625,484 30.624,485 1.021,486 32.967,487 0.549,488 25.658,489 0.855,490 6.721,491 0.224,492 7.788,493 0.26,494 0.124,495 0.027,496 0.271,501 0.782,502 1.277,503 0.808,504 1.065,505 0.587,506 1.021,507 1.259,508 0.833,509 0.894,510 0.762,511 0.695,512 0.807,513 0.783,514 1.167,515 1.014,516 1.133,517 0.832,518 1.108,519 0.913,520 1.026,521 0.939,522 1.006,523 1.165,524 1.009,525 1.007,526 0.946,527 1.039,528 0.996,529 1.184,530 0.961,531 0.727,532 1.121,533 1.236,534 1.228,535 1.198,536 1.11,537 0.639,538 1.069,539 1.138,540 1.135,541 1.165,542 1.1,543 0.775,544 1.135,545 1.112,546 1.191,547 0.82,548 1.061,549 7,550 0.203,551 3.556,552 2.604,553 1.931,554 1.015,555 0.757,556 0.438,557 0.373,558 0.149,559 12223,560 27633,561 2.079,562 50,563 2,564 23,568 1,569 4,572 1.726,573 1.946,574 3.604,575 -0.825,577 1,582 86.355,583 1.439,584 3.259,585 4.498,586 5.057,587 5.202,588 5.236,589 3.098,590 4.307,591 4.877,592 3.754,593 1633.05,594 8.496,595 22726.6,597 1,600 354.413,601 1.524,602 4.832,603 0.212,604 0.008,605 0.076,606 0.051,607 0.043,608 0.024,609 0.02,610 0.014,611 0.012,612 0.006,613 0.466,614 0.33,615 1,616 0.812,617 154.892,618 0.023,619 -0.141,620 0.087,621 -0.029,622 0.016,623 0.002,624 -0.148,625 0.276,626 0.086,627 0.231,628 0.002,629 0.167,630 0.083,631 -0.114,632 -0.03,633 -0.11,634 0.055,635 -0.106,636 -0.01,637 -0.046,638 0.024,639 -0.038,640 -0.023,641 -0.028,642 -0.006,643 0.028,644 0.018,645 0.021,646 -0.039,647 0.026,648 -0.013,649 -0.118,650 -0.101,651 -0.127,652 -0.065,653 -0.087,654 0.168,655 -0.092,656 -0.087,657 -0.099,658 0.061,659 -0.096,660 0.036,661 -0.153,662 -0.046,663 -0.143,664 0.094,665 -0.053,666 1.373,667 6.341,668 0.733,669 31.644,670 0.991,671 1.118,672 -0.038,673 0.001,674 0.668,675 3.526,676 3.871,677 4.143,678 4.394,679 4.615,680 4.754,681 4.868,682 4.984,683 4.997,684 5.05,685 7.187,686 0.617,687 424.63,688 3.526,689 5.081,690 5.938,691 6.828,692 7.7,693 8.595,694 9.474,695 10.372,696 11.255,697 12.154,698 1.7,712 1,714 2,715 8,719 1,720 4,722 16,727 1,739 2,741 60,743 17,744 2,745 33,747 63,748 25,749 14,750 5,751 7,752 1,756 4,757 5,767 3,768 1,770 3,772 15,773 10,774 1,777 1,782 1,786 1,790 1,793 30,794 3,796 5,797 1,802 1,803 1,807 1,808 0.75,809 3,828 1,829 2,830 1,832 1,859 3,862 1,864 3,868 30,876 6,878 2,880 1,883 1,888 1,893 5,896 1,898 2,901 15.417,902 11.667,903 6.653,904 3.757,907 2.814,908 1.36,909 0.957,910 6.448,911 10.624,912 3.761,913 4.353,914 4.928,915 5.498,916 6.031,917 6.359,918 6.722,919 7.086,920 7.068,921 7.098,922 1,923 51,924 11.163,926 4.721,927 0.026,929 7.544,931 21.967,933 18.498,936 2.044,937 61.333,940 1,941 353.133,942 174.654,945 47.145,947 31.278,948 143.376,949 400.278,951 30.162,952 13.921,953 75.81,954 30.278,955 38.245,956 2.104,957 384.411,959 353.133,960 143.376,961 47.145,962 31.278,964 306.049,965 94.229,968 13.921,969 129.456,971 31.278,972 353.133,973 47.145,974 174.654,977 353.133,978 68.681,979 105.972,981 47.145,982 353.133,983 47.145,984 174.654,986 0.582,987 0.348,988 0.185,989 0.1,990 23,991 10,992 0.095,993 6,994 1,995 1.091,996 4.105,997 269.686,998 0.091,999 22,1000 143.207,1001 1,1005 21.328,1006 9.07,1007 4.73,1008 2.105,1009 47.145,1010 16.643,1014 1.567,1015 3.626,1018 574.932,1019 42,1024 13.341,1028 0.294,1031 59.472,1032 67.067,1034 0.244,1035 0.552,1036 0.761,1037 0.856,1038 0.881,1039 0.886,1040 5.017,1041 1.442,1042 5.953,1043 5.118,1044 4.554,1045 5.04,1046 2.271,1047 6.806,1048 4.46,1049 6.23,1050 1.297,1051 7.544,1052 3.089,1053 4.29,1054 4.924,1055 0.931,1056 7.972,1057 4.122,1058 7.556,1059 1.136,1060 9.241,1061 2.882,1062 6.236,1063 7.248,1064 2.428,1065 10.982,1066 6.044,1067 8.918,1068 1,1069 11.001,1070 2.841,1071 6.792,1072 7.948,1073 1.381,1074 12.942,1075 6.508,1076 10.31,1077 0.867,1078 12.802,1079 2.224,1080 8.228,1081 9.774,1082 2.737,1083 15.53,1084 7.92,1085 11.723,1086 0.369,1087 14.63,1088 2.136,1089 9.13,1090 10.858,1091 1.783,1092 17.785,1093 8.727,1094 13.152,1095 0.262,1096 16.477,1097 0.69,1098 10.384,1099 12.487,1100 3.126,1101 20.259,1102 9.945,1103 3.298,1104 0.241,1105 18.338,1106 0.474,1107 11.435,1108 13.77,1109 2.192,1110 22.628,1111 10.907,1112 3.14,1113 11.908,1114 20.209,1115 0.458,1116 12.625,1117 15.316,1118 3.559,1119 25.076,1120 12.048,1121 2.857,1122 10.266,1123 22.089,1124 4.504,1125 13.74,1126 16.705,1127 2.615,1128 27.494,1129 13.08,1130 2.495,1131 9.367,1132 23.977,1133 3.604,1134 14.911,1135 18.218,1136 4.015,1137 29.941,1138 14.191,1139 2.403,1140 8.093,1141 25.869,1142 3.529,1143 16.055,1144 19.662,1145 3.05,1146 32.382,1147 15.256,1148 1.882,1149 6.792,1150 27.768,1151 3.188,1152 17.222,1153 21.164,1154 4.483,1155 34.835,1156 16.356,1157 1.771,1158 5.819,1159 29.67,1160 3.109,1161 18.38,1162 22.636,1163 3.495,1164 37.287,1165 17.438,1166 11637,1167 17691,1168 21.959,1169 40.057,1170 49.408,1171 50.646,1172 51.103,1173 48.87,1174 48.924,1175 61.993,1176 9.005,1177 144.313,1178 46.541,1179 5.522,1180 5.74,1181 6.797,1182 5.34,1183 5.298,1184 7.504,1185 2.555,1186 18.911,1187 5.059,1188 14.368,1189 1.497,1190 1.535,1191 1.549,1192 1.481,1193 1.483,1194 1.879,1195 0.273,1196 4.373,1197 1.41,1198 4.105,1199 4.117,1200 4.341,1201 4.114,1202 7.426,1203 4.066,1204 3.986,1205 4.029,1206 3.906,1207 3.884,1208 4.969,1209 3.88,1210 3.83,1211 3.871,1212 3.735,1213 3.727,1214 4.756,1215 3.723,1216 3.593,1217 3.627,1218 3.606,1219 3.443,1220 4.528,1221 3.446,1222 3.421,1223 3.465,1224 3.374,1225 3.261,1226 4.496,1227 3.251,1228 3.29,1229 3.367,1230 3.094,1231 3.134,1232 4.341,1233 3.11,1234 3.249,1235 3.314,1236 3.075,1237 2.967,1238 3.915,1239 2.97,1240 3.083,1241 3.152,1242 2.918,1243 2.882,1244 3.751,1245 2.875,1246 0.139,1247 0.113,1248 0.212,1249 0.128,1250 0.1,1251 4.573,1252 0.136,1253 3.74,1254 0.039,1255 6.995,1256 0.361,1257 4.217,1258 0.093,1259 3.298,1260 4.504,1261 1.277,1262 11.908,1263 3.059,1264 1.939,1265 1.903,1266 2.084,1267 2.086,1268 1.402,1269 2.089,1270 1.909,1271 1.901,1272 1.984,1273 1.988,1274 1.356,1275 1.985,1276 1.785,1277 1.754,1278 1.95,1279 1.914,1280 1.14,1281 1.936,1282 1.726,1283 1.656,1284 1.932,1285 1.899,1286 1.087,1287 1.916,1288 1.428,1289 1.412,1290 1.587,1291 1.558,1292 0.758,1293 1.573,1294 1.223,1295 1.176,1296 1.573,1297 1.518,1298 0.686,1299 1.535,1300 1.187,1301 1.11,1302 1.532,1303 1.462,1304 0.581,1305 1.5,1306 1.154,1307 1.075,1308 1.423,1309 1.365,1310 0.573,1311 1.42,1312 4.205,1314 5.541,1315 2.398,1316 7.066,1317 4.844,1318 8.671,1319 7.018,1320 10.318,1322 5.607,1328 6.208,1330 10.825,1332 0.109,1335 1.009,1340 36.991,1341 86.355,1342 195.551,1343 269.884,1344 303.394,1345 312.149,1346 314.149,1347 54.587,1348 7.81,1349 35.53,1350 63.77,1351 24,1352 12.68,1353 4.17,1354 3.322,1355 47.204,1356 130,1357 127,1358 0.178,1359 228.964,1360 395,1361 550.432,1362 27581,1364 21.14,1365 0.705,1366 0.63,1367 21.493,1368 18.888,1369 14.509,1370 0.44,1371 0.35,1372 10.671,1373 13.553,1374 10.251,1375 8.549,1376 14.918,1377 11.566,1378 13.129,1379 0.279,1380 0.211,1381 13.771,1382 9.905,1383 11.271,1384 0.182,1385 0.123,1386 12.093,1387 7.652,1388 9.225,1389 0.115,1390 0.073,1391 10.126,1392 5.876,1393 7.383,1394 0.074,1395 0.043,1396 8.238,1397 4.316,1398 0.282,1399 94.727,1400 0.213,1401 28.46,1402 0.479,1403 160,1404 400.4,1405 195.926,1406 403.428,1407 553,1408 380,1409 189,1410 385.442,1411 225.185,1412 411.773,1413 600.52,1414 384,1415 8.099}
{0 CHEMBL186264,1 1.509,2 13.893,3 3.423,4 11.715,5 113.31,6 7.189,7 0.4,8 4.099,9 4.205,10 3.677,11 3.638,12 5.121,13 3.584,14 4.67,15 4.843,16 4.016,17 4.028,18 5.6,19 3.941,20 4.846,21 5.029,22 4.084,23 4.159,24 5.819,25 4.043,26 4.888,27 5.083,28 3.986,29 4.153,30 5.834,31 4.014,32 4.968,33 5.223,34 3.906,35 4.075,36 5.83,37 3.927,38 4.789,39 5.011,40 3.805,41 4.006,42 5.734,43 3.854,44 4.749,45 4.987,46 3.683,47 3.963,48 5.669,49 3.768,50 4.694,51 4.966,52 3.526,53 3.788,54 5.505,55 3.629,56 0.007,57 0.748,58 13.092,59 5.978,60 8.391,61 7.425,62 0.284,63 1.222,64 27.189,65 10.033,66 26.033,67 12.227,68 0.489,69 1.432,70 34.295,71 12.328,72 40.03,73 15.137,74 0.22,75 1.476,76 34.445,77 13.134,78 38.332,79 16.533,80 0.412,81 1.502,82 38.663,83 13.062,84 46.437,85 17.02,86 0.331,87 1.316,88 32.338,89 11.456,90 42.048,91 14.363,92 0.429,93 1.271,94 32.126,95 11.886,96 49.393,97 15.247,98 0.277,99 1.137,100 28.874,101 9.874,102 30.9,103 13.437,104 29,105 40,106 0.251,107 0.554,108 0.769,109 0.833,110 0.839,111 0.845,112 3.374,113 1.062,114 -3.53,115 -3.51,116 -3.35,121 39.3,122 1,123 3,126 2,127 3,129 1,144 4,145 2,146 3,147 2,158 1,176 6,180 4,187 9,189 2,191 1,192 6,194 1,200 7,203 1,206 5,214 3,216 1,219 8,227 5,229 2,232 1,239 7,243 2,244 3,246 1,251 6,256 3,264 5,266 2,269 2,277 1,279 1,281 1336,282 19.265,283 19.265,284 19.265,285 19.265,286 19.265,287 17.687,288 23.547,289 11.58,290 20.094,291 14.657,292 14.657,293 14.657,294 14.657,295 14.657,296 12.032,297 21.246,298 5.323,299 15.7,300 4.298,301 2.471,302 1.175,303 0.79,304 0.755,305 0.719,306 4.057,311 1,312 1,313 818,314 3.808,317 68.618,318 189.397,321 129.942,325 2.258,326 23.477,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 60.5,338 389,339 4.433,340 4.688,341 6.437,342 4.067,343 3.12,344 4.091,345 3.389,346 10.099,347 2.95,348 4.05,349 3.68,350 6.068,351 3.719,352 2.754,353 3.638,354 1.975,355 8.762,356 2.671,357 3.967,358 3.173,359 5.709,360 3.602,361 2.647,362 3.252,363 0.86,364 7.513,365 2.533,366 3.652,367 2.824,368 5.487,369 3.306,370 2.341,371 2.925,372 0.86,373 7.322,374 2.233,375 3.472,376 2.748,377 5.128,378 3.136,379 2.178,380 2.745,381 0.86,382 6.365,383 2.068,384 3.093,385 2.488,386 4.717,387 2.698,388 1.771,389 2.285,391 5.118,392 1.628,393 2.645,394 2.379,395 4.115,396 2.477,397 1.608,398 1.648,400 3.499,401 1.389,402 2.5,403 2.2,404 3.943,405 2.241,406 1.282,407 1.5,409 3.092,410 1.207,411 2.471,412 2.096,413 3.616,414 1.984,415 1.136,416 1.428,418 2.841,419 0.983,420 2.223,421 1.172,422 3.414,423 1.983,424 1,425 1.204,427 2.275,428 0.946,429 1.922,430 1.054,431 3.09,432 1.753,433 0.794,434 0.85,436 1.495,437 0.753,438 1.7,439 1,440 2.887,441 1.475,442 0.475,443 0.549,445 0.97,446 0.467,447 1.473,448 0.966,449 2.799,450 1.207,451 0.353,452 0.385,454 0.482,455 0.3,456 1.388,457 0.821,458 2.722,459 1.121,460 0.241,461 0.271,463 0.458,464 0.209,465 1.07,466 0.394,467 2.403,468 0.815,469 -0.139,470 -0.155,472 -0.252,473 -0.131,474 13.567,475 0.485,476 0.533,477 0.019,478 31.5,479 1.125,480 14,481 0.5,482 17.5,483 0.625,484 26.38,485 0.942,486 31.733,487 0.567,488 22.41,489 0.8,490 6.127,491 0.219,492 7.512,493 0.268,494 0.135,496 0.287,501 0.798,502 1.335,503 0.801,504 1.137,505 0.617,506 1.068,507 1.33,508 0.913,509 1.006,510 0.865,511 0.85,512 0.854,513 1.068,514 0.982,515 1.145,516 1.063,517 1.237,518 1.014,519 0.893,520 1.293,521 1.126,522 1.307,523 1.265,524 1.244,525 1.023,526 0.908,527 0.905,528 0.907,529 0.817,530 0.886,531 1.138,532 0.994,533 1.175,534 1.05,535 1.505,536 1.042,537 0.407,538 1.122,539 1.176,540 1.242,541 0.78,542 1.154,543 0.795,544 0.899,545 0.821,546 0.88,547 0.745,548 0.855,549 5.5,550 0.151,551 2.889,552 1.417,553 1.592,554 0.903,555 0.541,556 0.378,557 0.204,558 0.136,559 10663,560 26554,561 2.034,562 50,563 2,564 17,566 2,568 2,569 5,572 1.704,573 1.909,574 3.735,575 -0.778,577 1,582 84.498,583 1.509,584 3.336,585 4.633,586 5.017,587 5.053,588 5.088,589 3.261,590 4.066,591 4.772,592 3.904,593 1475.61,594 8.266,595 20680.4,597 1,599 1,600 325.212,601 1.379,602 4.74,603 0.183,604 0.008,605 0.072,606 0.035,607 0.044,608 0.027,609 0.018,610 0.015,611 0.009,612 0.006,613 0.417,614 0.33,615 1,616 1.433,617 144.538,618 0.004,619 -0.165,620 0.083,621 -0.059,622 0.003,623 -0.02,624 -0.173,625 0.177,626 0.047,627 0.191,628 -0.069,629 0.135,630 0.006,631 0.089,632 -0.046,633 0.026,634 -0.074,635 -0.011,636 -0.032,637 -0.266,638 -0.119,639 -0.246,640 -0.09,641 -0.224,642 -0.043,643 0.05,644 0.085,645 0.053,646 0.059,647 0.086,648 -0.143,649 0.031,650 -0.105,651 -0.006,652 -0.099,653 -0.052,654 0.259,655 -0.116,656 -0.075,657 -0.139,658 0.196,659 -0.119,660 0.01,661 0.031,662 0.108,663 0.057,664 0.067,665 0.13,666 1.368,667 5.732,668 0.536,669 32.959,670 0.999,671 1.123,672 2.302,673 5.301,674 0.656,675 3.434,676 3.714,677 3.97,678 4.19,679 4.419,680 4.5,681 4.575,682 4.682,683 4.625,684 4.522,685 7.848,686 0.61,687 402.58,688 3.434,689 4.949,690 5.784,691 6.642,692 7.502,693 8.37,694 9.24,695 10.114,696 10.99,697 11.869,698 1.8,708 1,715 6,720 5,721 1,722 12,739 2,741 56,743 13,744 1,745 30,747 58,748 22,749 11,750 4,751 2,756 3,757 4,763 1,767 2,770 4,772 12,773 10,777 1,782 1,786 1,790 1,793 28,794 4,796 6,797 1,802 1,803 1,808 0.667,809 4,822 1,828 1,829 2,832 1,841 1,858 1,859 2,860 1,862 1,864 3,868 28,876 6,878 3,879 1,880 1,893 7.1,896 1,897 1,898 2,901 14.667,902 10.917,903 6.5,904 3.486,907 2.194,908 1.298,909 0.935,910 7.772,911 9.563,912 3.638,913 4.159,914 4.668,915 5.146,916 5.677,917 5.815,918 5.978,919 6.207,920 6.249,921 6.152,922 1,923 41,924 10.391,926 4.251,927 0.026,929 7.631,931 20.204,933 16.211,936 2.131,937 59.667,939 1,940 1,941 329.591,942 161.247,943 1.899,945 58.145,947 32.22,948 129.027,949 387.735,950 1.899,951 30.591,952 18.894,953 37.905,954 66.72,955 58.503,957 338.268,959 329.591,960 130.927,961 58.145,962 32.22,964 270.735,965 106,966 11,968 45.814,969 83.213,970 1.899,971 32.22,972 329.591,973 60.044,974 161.247,977 329.591,978 74.656,979 88.49,981 58.145,982 329.591,983 60.044,984 161.247,986 0.562,987 0.333,988 0.174,989 0.098,990 17,991 8,992 0.172,993 10,994 1,995 1.133,996 4.081,997 225.133,998 0.133,999 15,1000 130.606,1001 1,1005 21.158,1006 10.285,1007 5.504,1009 58.145,1010 12.253,1015 4.896,1016 2.102,1018 550.882,1019 37,1024 12.732,1028 0.298,1031 55.916,1032 62.861,1034 0.26,1035 0.575,1036 0.798,1037 0.864,1038 0.87,1039 0.876,1040 4.86,1041 1.282,1042 5.746,1043 3.499,1044 4.394,1045 4.844,1046 3.535,1047 6.521,1048 4.278,1049 6.027,1050 1.136,1051 7.283,1052 3.092,1053 3.892,1054 4.605,1055 2.036,1056 7.345,1057 3.751,1058 7.315,1059 1,1060 8.917,1061 2.841,1062 5.953,1063 6.95,1064 5.628,1065 10.409,1066 5.75,1067 8.639,1068 0.794,1069 10.608,1070 2.275,1071 6.293,1072 7.519,1073 4.168,1074 12.045,1075 6.05,1076 9.996,1077 0.475,1078 12.334,1079 1.495,1080 7.784,1081 9.348,1082 7.987,1083 14.608,1084 7.497,1085 11.373,1086 0.353,1087 14.085,1088 0.97,1089 8.517,1090 10.283,1091 6.596,1092 16.591,1093 8.174,1094 12.766,1095 0.241,1096 15.852,1097 0.482,1098 9.776,1099 11.897,1100 10.393,1101 18.978,1102 9.395,1103 3.12,1104 -0.139,1105 17.633,1106 0.458,1107 10.701,1108 13.026,1109 9.16,1110 21.123,1111 10.256,1112 2.754,1113 10.099,1114 19.422,1115 -0.252,1116 11.865,1117 14.536,1118 12.812,1119 23.447,1120 11.379,1121 2.647,1122 8.762,1123 21.22,1124 4.091,1125 12.886,1126 15.776,1127 11.751,1128 25.67,1129 12.335,1130 2.341,1131 7.513,1132 23.025,1133 3.638,1134 14.013,1135 17.232,1136 15.235,1137 27.973,1138 13.416,1139 2.178,1140 7.322,1141 24.835,1142 3.252,1143 15.082,1144 18.536,1145 14.332,1146 30.234,1147 14.421,1148 1.771,1149 6.365,1150 26.65,1151 2.925,1152 16.199,1153 19.964,1154 17.659,1155 32.533,1156 15.487,1157 1.608,1158 5.118,1159 28.469,1160 2.745,1161 17.293,1162 21.308,1163 16.895,1164 34.815,1165 16.519,1166 10512,1167 16734,1168 19.879,1169 36.75,1170 43.444,1171 47.1,1172 45.595,1173 43.315,1174 43.402,1175 53.54,1176 15.888,1177 120.579,1178 40.67,1179 5.371,1180 6.688,1181 6.347,1182 5.184,1183 5.12,1184 7.091,1185 6.716,1186 16.854,1187 4.95,1188 14.402,1189 1.448,1190 1.57,1191 1.52,1192 1.444,1193 1.447,1194 1.785,1195 0.53,1196 4.019,1197 1.356,1198 4.022,1199 4.051,1200 4.137,1201 3.978,1202 7.426,1203 3.951,1204 3.953,1205 3.98,1206 3.905,1207 3.847,1208 4.922,1209 3.851,1210 3.659,1211 3.694,1212 3.626,1213 3.506,1214 4.789,1215 3.51,1216 3.559,1217 3.603,1218 3.439,1219 3.358,1220 4.564,1221 3.359,1222 3.391,1223 3.451,1224 3.32,1225 3.221,1226 4.495,1227 3.206,1228 3.252,1229 3.32,1230 3.087,1231 3.068,1232 4.334,1233 3.055,1234 3.246,1235 3.312,1236 3.065,1237 2.958,1238 3.959,1239 2.962,1240 3.065,1241 3.152,1242 2.891,1243 2.853,1244 3.755,1245 2.837,1246 0.148,1247 0.156,1248 0.215,1249 0.136,1250 0.104,1251 4.433,1252 0.136,1253 4.688,1254 0.113,1255 6.437,1256 0.337,1257 4.067,1258 0.098,1259 3.12,1260 4.091,1261 3.389,1262 10.099,1263 2.95,1264 1.935,1265 1.893,1266 2.065,1267 2.085,1268 1.283,1269 2.082,1270 1.868,1271 1.858,1272 1.951,1273 1.965,1274 1.182,1275 1.96,1276 1.649,1277 1.618,1278 1.847,1279 1.831,1280 1.094,1281 1.84,1282 1.523,1283 1.469,1284 1.78,1285 1.751,1286 0.964,1287 1.765,1288 1.369,1289 1.298,1290 1.639,1291 1.569,1292 0.908,1293 1.602,1294 1.235,1295 1.171,1296 1.575,1297 1.521,1298 0.731,1299 1.538,1300 1.192,1301 1.122,1302 1.561,1303 1.486,1304 0.576,1305 1.516,1306 1.155,1307 1.081,1308 1.46,1309 1.367,1310 0.573,1311 1.418,1312 4.111,1314 5.398,1315 2.398,1316 6.88,1317 4.727,1318 8.454,1319 6.843,1320 10.078,1322 5.265,1328 4.383,1330 16.12,1331 1.639,1332 -0.022,1340 34.18,1341 84.498,1342 186.84,1343 259.437,1344 280.947,1345 282.947,1346 284.947,1347 54.5,1348 7.368,1349 48.64,1350 73.94,1351 17,1352 12.407,1353 3.807,1354 3,1355 50.173,1356 131,1357 158,1358 0.185,1359 214.504,1360 377.79,1361 515.15,1362 16351,1364 19.933,1365 0.712,1366 0.63,1367 20.286,1368 17.642,1369 13.639,1370 0.455,1371 0.354,1372 9.65,1373 12.544,1374 9.269,1375 7.683,1376 14.047,1377 10.62,1378 11.497,1379 0.287,1380 0.202,1381 12.139,1382 8.1,1383 9.821,1384 0.189,1385 0.123,1386 10.659,1387 6.371,1388 7.69,1389 0.118,1390 0.072,1391 8.562,1392 4.669,1393 6.28,1394 0.077,1395 0.04,1396 7.091,1397 3.287,1398 0.302,1399 90.336,1400 0.224,1401 27.486,1402 0.477,1403 140,1404 414.135,1405 178.444,1406 403.344,1407 542.22,1408 382,1409 162,1410 363.017,1411 198.901,1412 380.681,1413 554.2,1414 356,1415 8.153}
{0 CHEMBL186349,1 1.315,2 8.875,3 4.872,4 23.733,5 101.745,6 6.45,7 0.462,8 3.968,9 4.102,10 3.404,11 3.548,12 5.02,13 3.485,14 4.508,15 4.701,16 3.839,17 3.995,18 5.428,19 3.918,20 4.805,21 4.978,22 3.971,23 4.225,24 5.803,25 4.116,26 5.097,27 5.37,28 3.898,29 4.26,30 5.988,31 4.099,32 4.975,33 5.234,34 3.667,35 4.147,36 5.862,37 3.966,38 5,39 5.33,40 3.478,41 4.008,42 5.75,43 3.797,44 4.693,45 4.984,46 3.401,47 3.82,48 5.531,49 3.647,50 4.558,51 4.832,52 3.353,53 3.715,54 5.479,55 3.556,56 0.067,57 0.683,58 11.711,59 5,60 13.819,61 6.967,62 0.097,63 1.121,64 20.173,65 8.676,66 17.153,67 12.242,68 0.134,69 1.513,70 27.359,71 11.407,72 27.365,73 16.157,74 0.356,75 1.848,76 37.491,77 13.893,78 59.663,79 20.492,80 0.249,81 1.679,82 33.032,83 12.016,84 47.19,85 17.997,86 0.287,87 1.574,88 34.064,89 12.09,90 48.88,91 18.31,92 0.183,93 1.171,94 24.843,95 9.528,96 33.409,97 13.862,98 0.216,99 1.013,100 21.781,101 8.521,102 41.01,103 12.148,104 50,105 41,106 0.224,107 0.574,108 0.703,109 0.749,110 0.77,111 0.811,112 3.229,113 0.969,114 -5.57,115 -5.44,116 -5.08,121 42,122 5,123 1,125 2,144 5,145 4,146 3,157 1,165 1,166 1,167 1,176 15,180 3,185 4,187 23,189 2,192 3,197 5,200 18,203 3,206 4,208 1,209 2,211 6,214 14,216 5,219 5,224 2,227 10,229 2,232 2,237 3,239 10,241 1,249 3,251 12,253 1,260 1,261 4,263 1,264 12,266 2,274 5,277 12,279 1,281 734,282 15.118,283 15.118,284 15.118,285 15.118,286 15.118,287 13.428,288 19.66,289 8.375,290 15.218,291 12.771,292 12.771,293 12.771,294 12.771,295 12.771,296 10.222,297 25.764,298 3.943,299 12.96,300 4.329,301 2.267,302 1.508,303 1.235,304 1.115,305 0.875,306 3.895,311 1,312 1,313 450,314 3.391,317 53.42,318 136.698,321 94.125,325 1.24,326 18.597,328 1,329 0.75,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.89,337 50,338 213,339 4.889,340 3.944,341 7.807,342 4.729,343 3.73,344 4.441,345 0.6,346 14.603,347 3.725,348 4.236,349 3.179,350 6.928,351 3.953,352 2.959,353 3.823,355 10.966,356 2.944,357 4.144,358 3.073,359 6.392,360 3.859,361 2.874,362 3.551,364 9.582,365 2.829,366 3.969,367 2.917,368 6.021,369 3.749,370 2.769,371 3.106,373 8.545,374 2.709,375 3.349,376 2.258,377 5.582,378 2.985,379 2.019,380 2.527,382 6.751,383 1.949,384 3.039,385 1.836,386 5.08,387 2.707,388 1.712,389 2.181,391 5.47,392 1.702,393 2.959,394 1.712,395 4.219,396 2.511,397 1.528,398 2.123,400 3.907,401 1.502,402 2.854,403 1.501,404 3.745,405 2.391,406 1.414,407 1.996,409 2.988,410 1.373,411 2.402,412 1.153,413 3.597,414 1.759,415 0.805,416 1.188,418 1.961,419 0.766,420 1.483,421 0.647,422 3.454,423 1.237,424 0.267,425 0.311,427 0.634,428 0.258,429 1.237,430 0.214,431 3.177,432 0.947,433 -0.019,434 -0.022,436 -0.051,437 -0.018,438 1.06,439 0.05,440 2.988,441 0.63,442 -0.314,443 -0.391,445 -0.765,446 -0.294,447 0.642,448 -0.37,449 2.563,450 0.608,451 -0.39,452 -0.408,454 -1.354,455 -0.389,456 0.621,457 -0.621,458 2.421,459 0.207,460 -0.772,461 -0.976,463 -1.894,464 -0.753,465 0.213,466 -0.812,467 2.17,469 -1,470 -1,472 -3,473 -1,474 11.633,475 0.485,476 1.039,477 0.043,478 29,479 1.208,480 15,481 0.625,482 14,483 0.583,484 25.23,485 1.051,486 26.167,487 0.523,488 19.905,489 0.829,490 5.044,491 0.21,492 6.089,493 0.254,494 0.278,495 0.086,496 0.301,501 1.03,502 1.081,503 0.979,504 1.013,505 1.168,506 0.993,507 0.577,508 0.91,509 0.691,510 0.83,511 0.486,512 0.778,513 0.863,514 1.45,515 1.172,516 1.372,517 0.819,518 1.311,519 0.879,520 1.04,521 0.976,522 0.986,523 0.842,524 0.987,525 1.003,526 1.257,527 1.268,528 1.227,529 0.979,530 1.251,531 0.835,532 0.726,533 0.856,534 0.743,535 0.724,536 0.779,537 0.896,538 0.855,539 0.884,540 0.888,541 0.85,542 0.882,543 0.997,544 0.879,545 0.882,546 0.907,547 1.107,548 0.897,549 7.5,550 0.074,551 4.444,552 3.799,553 1.898,554 1.035,555 0.423,556 0.431,557 0.393,558 0.234,559 5599,560 11494,561 1.948,562 52,563 17,564 5,566 1,567 3,572 1.671,573 1.735,574 3.091,575 0.874,582 65.743,583 1.315,584 3.377,585 4.136,586 4.408,587 4.528,588 4.768,589 2.47,590 4.335,591 4.559,592 3.263,593 900.607,594 7.878,595 10264.8,597 1,600 282.193,601 1.864,602 4.445,603 0.288,604 0.007,605 0.108,606 0.088,607 0.05,608 0.037,609 0.018,610 0.019,611 0.018,612 0.012,613 0.646,614 0.67,615 0.88,616 0.71,617 112.064,618 -0.096,619 0.103,620 0.017,621 0.099,622 -0.198,623 0.073,624 0.083,625 0.179,626 0.278,627 0.251,628 0.148,629 0.277,630 -0.026,631 -0.343,632 -0.194,633 -0.302,634 -0.004,635 -0.27,636 0.084,637 -0.043,638 0.008,639 -0.026,640 0.082,641 -0.02,642 -0.141,643 -0.21,644 -0.289,645 -0.268,646 -0.151,647 -0.286,648 -0.022,649 0.21,650 0.114,651 0.166,652 0.017,653 0.159,654 0.011,655 0.087,656 0.088,657 0.076,658 0.021,659 0.09,660 0.132,661 0.052,662 0.103,663 0.074,664 0.102,665 0.083,666 1.436,667 3.903,668 0.625,669 17.549,670 0.983,671 1.124,672 4.339,673 18.828,674 0.652,675 3.296,676 3.738,677 4.007,678 4.317,679 4.511,680 4.511,681 4.595,682 4.625,683 4.691,684 4.585,685 5.406,686 0.602,687 322.49,688 3.296,689 4.905,690 5.784,691 6.727,692 7.63,693 8.577,694 9.492,695 10.441,696 11.366,697 12.316,698 4,702 1,707 1,715 5,720 7,722 12,725 1,733 1,738 1,741 50,743 13,744 2,745 26,747 52,748 21,749 12,750 7,751 5,752 1,756 3,757 4,763 5,764 2,766 2,767 1,770 1,772 13,773 8,777 1,784 1,785 1,793 26,794 3,795 3,796 3,802 2,808 0.667,809 1,828 1,829 2,832 1,859 2,864 5,868 24,869 1,875 1,876 1,882 2,893 2,895 1,901 13.833,902 10.483,903 4.972,904 2.938,907 2.841,908 1.402,909 0.925,910 3.899,911 9.918,912 3.526,913 4.19,914 4.775,915 5.345,916 5.866,917 6.118,918 6.467,919 6.753,920 7.145,921 7.433,922 0.833,923 43,924 8.88,926 3.792,927 0.026,929 7.611,931 17.291,933 14.721,936 2.111,937 50.667,939 1,940 1,941 270.735,942 121.345,943 49.683,945 42.683,948 121.345,949 313.419,950 49.683,951 44.126,952 2.535,953 80.278,954 63.502,955 35.041,957 258.964,959 270.735,960 171.028,961 42.683,964 270.735,965 42.683,968 63.446,969 98.534,970 9.047,972 270.735,973 92.366,974 121.345,977 270.735,978 20.79,979 100.555,981 92.366,982 270.735,983 92.366,984 121.345,986 0.618,987 0.363,988 0.191,989 0.102,990 22,991 11,992 0.038,993 2,994 1,995 1.133,996 3.362,997 204.157,998 0.133,999 15,1000 106.039,1005 16.881,1006 5.543,1007 2.823,1009 92.366,1010 9.369,1015 6.232,1017 75.581,1018 484.446,1019 33,1026 1.705,1027 4.624,1031 49.134,1032 56.188,1034 0.233,1035 0.598,1036 0.733,1037 0.781,1038 0.802,1039 0.845,1040 4.844,1041 1.414,1042 5.894,1043 3.907,1044 4.419,1045 4.875,1046 0.542,1047 6.872,1048 4.392,1049 6.134,1050 0.805,1051 7.578,1052 2.988,1053 4.511,1054 4.966,1056 8.346,1057 4.484,1058 7.515,1059 0.267,1060 9.378,1061 1.961,1062 6.267,1063 7.139,1064 0.23,1065 11.437,1066 6.23,1067 8.93,1068 -0.019,1069 11.245,1070 0.634,1071 7.091,1072 7.949,1074 13.66,1075 7.057,1076 10.374,1077 -0.314,1078 13.152,1079 -0.051,1080 8.479,1081 9.704,1082 0.089,1083 16.423,1084 8.44,1085 11.841,1086 -0.39,1087 15.087,1088 -0.765,1089 9.583,1090 10.843,1092 18.926,1093 9.548,1094 13.327,1095 -0.772,1096 17.043,1097 -1.354,1098 10.878,1099 12.432,1100 0.033,1101 21.611,1102 10.841,1103 3.73,1104 -1,1105 19.014,1106 -1.894,1107 12.094,1108 13.734,1110 24.222,1111 12.06,1112 2.959,1113 14.603,1114 20.998,1115 -3,1116 13.375,1117 15.253,1118 0.012,1119 26.893,1120 13.342,1121 2.874,1122 10.966,1123 22.992,1124 4.441,1125 14.638,1126 16.638,1128 29.544,1129 14.607,1130 2.769,1131 9.582,1132 24.995,1133 3.823,1134 15.926,1135 18.129,1136 0.004,1137 32.216,1138 15.895,1139 2.019,1140 8.545,1141 27.005,1142 3.551,1143 17.212,1144 19.559,1146 34.883,1147 17.183,1148 1.712,1149 6.751,1150 29.022,1151 3.106,1152 18.509,1153 21.04,1154 0.002,1155 37.559,1156 18.48,1157 1.528,1158 5.47,1159 31.044,1160 2.527,1161 19.808,1162 22.494,1164 40.233,1165 19.779,1166 5575,1167 8112,1168 16.008,1169 32.603,1170 41.265,1171 40.98,1172 42.617,1173 40.144,1174 40.153,1175 50.494,1176 1.2,1177 130.813,1178 39.513,1179 5.748,1180 5.944,1181 7.496,1182 5.745,1183 5.73,1184 7.441,1185 1.2,1186 22.757,1187 5.725,1188 15.588,1189 1.587,1190 1.576,1191 1.639,1192 1.544,1193 1.544,1194 1.942,1195 0.046,1196 5.031,1197 1.52,1198 4.1,1199 4.128,1200 4.051,1201 4.047,1202 6.469,1203 4.045,1204 3.904,1205 3.928,1206 3.847,1207 3.837,1208 5.101,1209 3.836,1210 3.644,1211 3.696,1212 3.543,1213 3.543,1214 4.772,1215 3.536,1216 3.434,1217 3.511,1218 3.261,1219 3.301,1220 4.568,1221 3.281,1222 3.222,1223 3.299,1224 3.108,1225 3.051,1226 4.411,1227 3.057,1228 3.036,1229 3.14,1230 2.832,1231 2.876,1232 4.033,1233 2.85,1234 2.955,1235 3.046,1236 2.805,1237 2.746,1238 4.017,1239 2.751,1240 2.925,1241 3.009,1242 2.751,1243 2.703,1244 3.711,1245 2.705,1246 0.188,1247 0.152,1248 0.3,1249 0.182,1250 0.143,1251 4.889,1252 0.171,1253 3.944,1254 0.023,1255 7.807,1256 0.562,1257 4.729,1258 0.143,1259 3.73,1260 4.441,1261 0.6,1262 14.603,1263 3.725,1264 1.965,1265 1.944,1266 2.051,1267 2.049,1268 1.309,1269 2.051,1270 1.877,1271 1.855,1272 1.99,1273 1.962,1274 1.276,1275 1.97,1276 1.769,1277 1.72,1278 1.985,1279 1.901,1280 1.066,1281 1.934,1282 1.485,1283 1.423,1284 1.756,1285 1.66,1286 0.893,1287 1.697,1288 1.19,1289 1.124,1290 1.462,1291 1.414,1292 0.526,1293 1.421,1294 1.059,1295 0.972,1296 1.417,1297 1.325,1298 0.469,1299 1.356,1300 0.934,1301 0.84,1302 1.417,1303 1.239,1304 0.469,1305 1.308,1306 0.934,1307 0.804,1308 1.345,1309 1.239,1310 0.399,1311 1.308,1312 3.97,1314 5.38,1315 2.398,1316 6.978,1317 5.043,1318 8.666,1319 7.38,1320 10.404,1322 11.092,1326 6.507,1327 9.903,1328 1.075,1334 0.16,1340 30.079,1341 65.743,1342 168.832,1343 206.809,1344 220.418,1345 226.418,1346 238.418,1347 45.896,1348 7.077,1349 58.61,1350 58.61,1351 17,1352 12.81,1353 3.807,1354 3,1355 39.235,1356 78,1357 76,1358 0.255,1359 187.122,1360 325.29,1361 448.339,1362 9870,1364 17.698,1365 0.737,1366 0.631,1367 17.698,1368 15.143,1369 11.133,1370 0.428,1371 0.323,1372 8.354,1373 10.966,1374 7.842,1375 6.645,1376 11.133,1377 8.395,1378 11.599,1379 0.283,1380 0.198,1381 11.599,1382 8.118,1383 9.144,1384 0.169,1385 0.096,1386 9.144,1387 5.177,1388 7.926,1389 0.107,1390 0.057,1391 7.926,1392 4.209,1393 5.971,1394 0.066,1395 0.03,1396 5.971,1397 2.688,1398 0.389,1399 68.116,1400 0.25,1401 22.938,1402 0.731,1403 134,1404 279.107,1405 138.851,1406 286.877,1407 402.03,1408 266,1409 162,1410 308.34,1411 167.157,1412 325.099,1413 472.84,1414 302,1415 4.796}
{0 CHEMBL186400,1 1.489,2 10.68,3 2.788,4 7.771,5 100.151,6 8.235,7 0.821,8 3.823,9 3.954,10 3.487,11 3.388,12 5.058,13 3.388,14 4.262,15 4.422,16 3.828,17 3.751,18 5.448,19 3.734,20 4.436,21 4.623,22 3.835,23 3.848,24 5.525,25 3.812,26 4.509,27 4.711,28 3.83,29 3.838,30 5.636,31 3.788,32 4.557,33 4.804,34 3.734,35 3.767,36 5.659,37 3.711,38 4.36,39 4.607,40 3.494,41 3.593,42 5.385,43 3.514,44 4.148,45 4.381,46 3.377,47 3.395,48 5.257,49 3.343,50 4.091,51 4.341,52 3.236,53 3.306,54 5.134,55 3.244,56 0.104,57 0.685,58 6.619,59 3.004,60 10.815,61 3.733,62 0.188,63 1.028,64 11.446,65 5.042,66 17.333,67 6.541,68 0.143,69 1.16,70 14.864,71 5.801,72 17.224,73 7.636,74 0.229,75 1.235,76 16.504,77 6.261,78 23.094,79 8.371,80 0.37,81 1.242,82 19.876,83 6.07,84 39.254,85 8.339,86 0.226,87 0.986,88 16.474,89 5.698,90 26.536,91 7.962,92 0.198,93 0.828,94 12.682,95 4.141,96 22.441,97 5.676,98 0.177,99 0.756,100 12.667,101 3.914,102 20.727,103 5.444,104 5,105 39,106 0.258,107 0.596,108 0.697,109 0.786,110 0.824,111 0.824,112 3.267,113 0.831,114 -5.27,115 -5.15,116 -4.82,121 45,122 1,144 9,145 3,146 1,147 1,148 1,152 1,163 1,165 1,166 1,167 1,168 3,176 11,179 4,180 7,182 2,183 2,187 15,192 6,200 13,205 4,206 10,211 2,214 11,216 2,218 4,219 8,227 8,232 9,234 2,235 2,239 5,244 10,246 2,247 2,251 3,256 9,261 2,264 3,266 2,269 7,274 2,277 3,279 2,281 891,282 17.206,283 17.206,284 17.206,285 17.206,286 17.206,287 14.47,288 11.912,289 10.203,290 17.471,291 13.83,292 13.83,293 13.83,294 13.83,295 13.83,296 9.874,297 10.888,298 4.83,299 14.272,300 3.833,301 1.881,302 1.301,303 0.788,304 0.569,305 0.569,306 3.966,310 1,311 1,312 1,313 587,314 2,317 69.259,318 234.496,325 1.693,326 14.26,328 1,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 53.5,338 267,339 4.541,340 3.256,341 6.782,342 4.14,343 3.182,344 4.256,346 11.136,347 3.048,348 4.243,349 2.903,350 6.157,351 3.861,352 2.866,353 3.892,355 9.082,356 2.852,357 4.064,358 2.769,359 6.04,360 3.638,361 2.68,362 3.658,364 8.592,365 2.569,366 3.639,367 2.307,368 5.228,369 3.175,370 2.23,371 3.131,373 6.375,374 2.108,375 3.379,376 2.039,377 4.834,378 2.919,379 1.952,380 2.721,382 5.252,383 1.88,384 3.181,385 1.801,386 4.48,387 2.723,388 1.743,389 2.468,391 4.482,392 1.703,393 2.84,394 1.499,395 4.166,396 2.384,397 1.421,398 1.977,400 3.605,401 1.365,402 2.661,403 1.201,404 3.717,405 2.178,406 1.186,407 1.736,409 2.753,410 1.176,411 2.5,412 1,413 3.489,414 2,415 1,416 1.5,418 2.283,419 1,420 2.5,421 1,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.379,430 0.925,431 3.393,432 1.869,433 0.912,434 1.323,436 2.136,437 0.871,438 2.295,439 0.821,440 3.247,441 1.788,442 0.811,443 1.197,445 2.074,446 0.791,447 1.271,448 0.092,449 2.632,450 0.887,451 -0.057,452 -0.073,454 -0.136,455 -0.054,456 1.034,457 -0.242,458 2.509,459 0.632,460 -0.354,461 -0.473,463 -0.842,464 -0.349,465 0.796,466 -0.313,467 2.359,468 0.417,469 -0.515,470 -0.621,472 -1.242,473 -0.479,474 11.8,475 0.472,476 0.538,477 0.022,478 38.5,479 1.54,480 22.5,481 0.9,482 16,483 0.64,484 15.276,485 0.611,486 24.8,487 0.62,488 26.783,489 1.071,490 7.825,491 0.313,492 4.395,493 0.176,494 0.076,496 0.331,501 0.683,502 0.986,503 0.692,504 0.886,505 0.957,506 0.809,507 0.483,508 0.94,509 0.701,510 0.96,511 0.502,512 0.885,513 1.024,514 1.153,515 0.931,516 1.03,517 0.838,518 0.977,519 0.888,520 1.156,521 1.026,522 1.176,523 0.826,524 1.134,525 1.274,526 0.869,527 1.095,528 0.864,529 1.219,530 0.933,531 0.941,532 0.952,533 0.995,534 0.993,535 0.907,536 1.001,537 1.155,538 1.034,539 1.043,540 0.984,541 0.917,542 0.993,543 1.335,544 0.995,545 1.059,546 0.886,547 1.095,548 0.918,549 4,550 0.067,551 3.111,552 1.431,553 1.077,554 0.844,555 0.493,556 0.299,557 0.218,558 0.119,559 7519,560 20543,561 2.154,562 37.5,564 9,566 1,567 2,568 3,572 1.678,573 2.055,574 3.372,575 0.312,576 1,577 1,582 59.564,583 1.489,584 3.44,585 4.021,586 4.534,587 4.753,588 4.753,589 2.889,590 4.324,591 4.614,592 3.512,593 1053.75,594 7.971,595 12617.9,596 1,597 1,599 1,600 212.877,601 1.26,602 4.592,603 0.143,604 0.004,605 0.08,606 0.037,607 0.029,608 0.026,609 0.019,610 0.013,611 0.011,612 0.007,613 0.368,614 0.33,615 1,616 0.477,617 120.513,618 0.201,619 0.141,620 0.058,621 0.043,622 -0.099,623 0.03,624 0.385,625 0.127,626 0.119,627 -0.002,628 0.244,629 0.011,630 -0.148,631 -0.135,632 -0.051,633 -0.059,634 -0.076,635 -0.043,636 0.08,637 -0.145,638 -0.109,639 -0.222,640 0.035,641 -0.202,642 -0.097,643 0.13,644 -0.075,645 0.067,646 -0.126,647 0.013,648 0.016,649 -0.019,650 0.028,651 0.004,652 0.015,653 0.015,654 -0.059,655 -0.042,656 -0.05,657 -0.04,658 0.078,659 -0.042,660 -0.245,661 -0.033,662 -0.025,663 0.075,664 -0.077,665 0.064,666 1.438,667 1.621,668 0.92,669 22.368,670 1.006,671 1.129,672 4.036,673 16.29,674 0.702,675 3.367,676 3.689,677 3.989,678 4.263,679 4.454,680 4.511,681 4.625,682 4.736,683 4.836,684 4.86,685 6.136,686 0.681,687 329.4,688 3.367,689 4.905,690 5.765,691 6.645,692 7.52,693 8.406,694 9.287,695 10.175,696 11.06,697 11.95,698 17.5,702 1,706 1,708 5,715 10,716 5,720 7,721 1,722 23,733 1,741 40,743 23,744 2,745 28,747 43,748 18,749 17,750 3,751 9,756 4,757 4,763 1,772 17,773 1,789 1,790 1,793 15,794 6,795 2,796 7,802 7,808 1,823 1,828 1,829 3,859 4,864 1,868 25,869 1,901 12.167,902 7.617,903 5.472,904 2.258,907 4.319,908 1.581,909 1.028,910 3.867,911 11.759,912 3.701,913 4.341,914 4.974,915 5.592,916 6.11,917 6.405,918 6.857,919 7.286,920 7.703,921 8.041,922 1,923 39,924 9.112,926 3.83,927 0.026,929 7.687,931 17.294,933 13.937,936 2.187,937 54.667,940 1,941 153.024,942 122.456,943 117.989,948 122.456,949 153.024,950 117.989,951 8.825,953 118.183,954 97.414,955 25.894,956 1.899,957 141.253,959 153.024,960 240.445,964 153.024,968 26.633,969 130.497,970 83.315,972 153.024,973 117.989,974 122.456,977 153.024,978 19.297,979 104.935,981 116.212,982 153.024,983 117.989,984 122.456,986 0.58,987 0.345,988 0.193,989 0.101,990 20,991 8,992 0.07,993 3,995 1,996 3.765,997 211.389,999 23,1000 108.096,1005 15.279,1006 6.327,1007 2.944,1009 116.212,1010 19.884,1011 20.226,1015 5.42,1016 1.663,1017 32.897,1018 393.469,1019 39.5,1031 40.247,1032 45.149,1034 0.28,1035 0.646,1036 0.756,1037 0.852,1038 0.893,1039 0.893,1040 4.911,1041 1.186,1042 5.74,1043 3.605,1044 4.369,1045 5.027,1047 6.555,1048 4.309,1049 6.128,1050 1,1051 7.298,1052 2.753,1053 3.892,1054 4.691,1056 7.476,1057 3.782,1058 7.432,1059 1,1060 8.96,1061 2.283,1062 5.958,1063 7.245,1065 10.6,1066 5.833,1067 8.776,1068 0.912,1069 10.687,1070 2.275,1071 6.347,1072 7.771,1074 12.389,1075 6.173,1076 10.153,1077 0.811,1078 12.455,1079 2.136,1080 7.849,1081 9.728,1083 15.018,1084 7.659,1085 11.553,1086 -0.057,1087 14.253,1088 2.074,1089 8.633,1090 10.673,1092 17.15,1093 8.397,1094 12.972,1095 -0.354,1096 16.07,1097 -0.136,1098 9.907,1099 12.357,1101 19.618,1102 9.65,1103 3.182,1104 -0.515,1105 17.904,1106 -0.842,1107 10.876,1108 13.522,1110 21.895,1111 10.574,1112 2.866,1113 11.136,1114 19.748,1115 -1.242,1116 12.059,1117 15.073,1119 24.311,1120 11.729,1121 2.68,1122 9.082,1123 21.602,1124 4.256,1125 13.115,1126 16.356,1128 26.653,1129 12.741,1130 2.23,1131 8.592,1132 23.463,1133 3.892,1134 14.263,1135 17.843,1137 29.055,1138 13.856,1139 1.952,1140 6.375,1141 25.33,1142 3.658,1143 15.36,1144 19.191,1146 31.428,1147 14.91,1148 1.743,1149 5.252,1150 27.202,1151 3.131,1152 16.498,1153 20.646,1155 33.827,1156 16.01,1157 1.421,1158 4.482,1159 29.079,1160 2.721,1161 17.616,1162 22.031,1164 36.216,1165 17.085,1166 7066,1167 11856,1168 19.186,1169 28.086,1170 42.585,1171 41.85,1172 43.041,1173 42.038,1174 41.968,1175 58.719,1177 120.089,1178 40.726,1179 5.254,1180 5.256,1181 6.584,1182 5.209,1183 5.182,1184 7.256,1186 18.496,1187 5.048,1188 9.059,1189 1.521,1190 1.495,1191 1.537,1192 1.501,1193 1.499,1194 2.097,1196 4.289,1197 1.455,1198 4.06,1199 4.106,1200 4.029,1201 3.97,1202 5.274,1203 3.972,1204 3.915,1205 3.955,1206 3.872,1207 3.784,1208 5.175,1209 3.804,1210 3.765,1211 3.816,1212 3.71,1213 3.663,1214 4.819,1215 3.664,1216 3.546,1217 3.621,1218 3.504,1219 3.251,1220 4.583,1221 3.315,1222 3.171,1223 3.277,1224 2.994,1225 2.932,1226 4.566,1227 2.932,1228 2.937,1229 3.029,1230 2.834,1231 2.822,1232 4.043,1233 2.819,1234 2.884,1235 2.951,1236 2.756,1237 2.735,1238 3.77,1239 2.715,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.162,1247 0.116,1248 0.242,1249 0.148,1250 0.114,1251 4.541,1252 0.152,1253 3.256,1255 6.782,1256 0.398,1257 4.14,1258 0.109,1259 3.182,1260 4.256,1262 11.136,1263 3.048,1264 1.994,1265 1.971,1266 2.09,1267 2.074,1268 1.198,1269 2.077,1270 1.832,1271 1.792,1272 1.926,1273 1.988,1274 1.008,1275 1.97,1276 1.742,1277 1.705,1278 1.868,1279 1.862,1280 0.929,1281 1.866,1282 1.212,1283 1.148,1284 1.486,1285 1.486,1286 0.52,1287 1.469,1288 1.15,1289 1.05,1290 1.317,1291 1.433,1292 0.322,1293 1.432,1294 0.978,1295 0.904,1296 1.181,1297 1.374,1298 0.218,1299 1.282,1300 0.886,1301 0.821,1302 1.181,1303 1.119,1304 0.218,1305 1.107,1306 0.886,1307 0.821,1308 1.166,1309 1.062,1310 0.087,1311 1.107,1312 4.043,1314 5.361,1315 2.398,1316 6.882,1317 4.595,1318 8.492,1319 6.605,1320 10.147,1322 1.852,1326 5.621,1340 27.257,1341 59.564,1342 137.619,1343 160.838,1344 181.367,1345 190.122,1346 190.122,1347 27.98,1348 7.44,1349 95.4,1350 95.4,1351 23,1352 12.48,1353 4.585,1354 3.644,1355 36.001,1356 91,1357 92,1358 0.194,1359 169.218,1360 274.88,1361 404.651,1362 17432,1364 17.225,1365 0.689,1366 0.541,1367 17.225,1368 13.534,1369 12.22,1370 0.436,1371 0.277,1372 7.657,1373 11.761,1374 7.467,1375 6.243,1376 12.22,1377 7.759,1378 10.891,1379 0.279,1380 0.142,1381 10.891,1382 5.554,1383 9.411,1384 0.178,1385 0.074,1386 9.411,1387 3.927,1388 8.109,1389 0.116,1390 0.038,1391 8.109,1392 2.659,1393 6.266,1394 0.074,1395 0.02,1396 6.266,1397 1.693,1398 0.303,1399 76.419,1400 0.228,1401 24.283,1402 0.533,1403 134,1404 385.183,1405 146.711,1406 386.525,1407 546.65,1408 362,1409 159,1410 433.287,1411 172.683,1412 438.3,1413 634.02,1414 412,1415 4.569}
{0 CHEMBL186896,1 1.85,2 10.387,3 6.127,4 37.544,5 111.948,6 9.542,7 0.529,8 3.993,9 4.079,10 3.75,11 3.55,12 5.239,13 3.572,14 4.53,15 4.644,16 4.216,17 3.909,18 6.218,19 3.935,20 4.686,21 4.842,22 4.176,23 4.048,24 5.983,25 4.013,26 4.788,27 4.981,28 4.172,29 4.049,30 6.057,31 3.984,32 4.731,33 4.925,34 4.206,35 4.068,36 6.021,37 3.974,38 4.702,39 4.871,40 4.158,41 4.095,42 5.939,43 4.007,44 4.746,45 4.921,46 4.337,47 4.081,48 6.172,49 4.034,50 4.718,51 4.886,52 4.13,53 4.027,54 5.971,55 3.993,56 0.249,57 0.93,58 5.156,59 4.34,60 32.436,61 4.092,62 1.085,63 1.855,64 13.361,65 7.159,66 143.13,67 6.619,68 0.686,69 1.749,70 17.452,71 9.452,72 63.039,73 9.386,74 1.016,75 1.892,76 26.51,77 11.058,78 122.204,79 10.583,80 0.958,81 1.784,82 28.444,83 10.966,84 91.812,85 11.298,86 0.826,87 1.735,88 26.137,89 11.12,90 107.5,91 10.543,92 0.868,93 1.933,94 28.982,95 11.436,96 106.68,97 11.573,98 0.748,99 1.684,100 19.655,101 10.34,102 83.029,103 11.173,104 27,105 49,106 0.313,107 0.591,108 0.726,109 0.856,110 0.88,111 0.88,112 3.472,113 0.847,114 -5.6,115 -5.47,116 -5.1,121 46.8,127 1,128 1,134 1,144 11,145 2,146 5,161 1,176 9,179 1,180 5,183 1,185 2,187 8,192 8,197 2,200 5,206 5,211 4,214 2,218 1,219 2,224 4,227 6,231 1,232 1,237 1,239 12,244 2,247 1,251 16,256 4,259 1,264 13,269 4,277 6,281 1864,282 20.436,283 20.436,284 20.436,285 20.436,286 20.436,287 18.145,288 28.68,289 11.849,290 21.121,291 16.8,292 16.8,293 16.8,294 16.8,295 16.8,296 13.283,297 40.156,298 5.657,299 18.058,300 3.704,301 2.061,302 1.267,303 0.5,304 0.356,305 0.356,306 4.163,312 1,313 694,314 4.183,317 84.633,318 315.563,321 144.673,325 1.561,326 52.831,329 0.75,330 1,331 1,332 0.4,333 0.5,334 1,335 1,336 0.81,337 71,338 322,339 4.455,340 4.46,341 7.116,342 4.181,343 3.32,344 3.931,345 3.825,346 11.69,347 2.901,348 4.315,349 3.918,350 6.476,351 3.971,352 3.039,353 3.871,354 1.807,355 10.071,356 2.845,357 4.21,358 3.315,359 6.189,360 3.846,361 2.906,362 3.709,363 1.392,364 9.233,365 2.716,366 3.864,367 2.968,368 5.468,369 3.459,370 2.518,371 3.204,372 0.733,373 7.315,374 2.335,375 3.7,376 2.789,377 5.265,378 3.318,379 2.369,380 3.014,381 0.532,382 6.693,383 2.24,384 3.508,385 2.596,386 5.11,387 3.131,388 2.173,389 2.812,390 0.167,391 6.181,392 2.052,393 3.251,394 2.441,395 4.822,396 2.76,397 1.849,398 2.462,400 5.242,401 1.657,402 2.886,403 1.991,404 4.481,405 2.477,406 1.534,407 2.024,409 4.323,410 1.439,411 2.88,412 1.854,413 4.366,414 2.438,415 1.502,416 2.001,418 4.207,419 1.381,420 2.57,421 1.764,422 3.751,423 2.116,424 1.132,425 1.6,427 2.645,428 1.11,429 2.5,430 1.39,431 3.482,432 2.091,433 1.109,434 1.5,436 2.51,437 1.078,438 2.252,439 1.19,440 3.434,441 2,442 1,443 1.219,445 2.275,446 1,447 2.105,448 1,449 3.414,450 1.758,451 0.835,452 1.002,454 2.184,455 0.762,456 1.663,457 0.813,458 3.057,459 1.369,460 0.438,461 0.518,463 1.074,464 0.403,465 1.18,466 0.524,467 2.821,468 0.791,469 -0.14,470 -0.165,472 -0.336,473 -0.126,474 14.443,475 0.466,476 0.966,477 0.031,478 41.25,479 1.331,480 21,481 0.677,482 20.25,483 0.653,484 24.375,485 0.786,486 33.557,487 0.714,488 35.517,489 1.146,490 8.644,491 0.279,492 6.147,493 0.198,494 0.137,495 0.035,496 0.305,498 3,499 1,501 0.638,502 0.889,503 0.536,504 0.879,505 0.584,506 0.83,507 0.616,508 0.764,509 0.65,510 0.871,511 0.422,512 0.892,513 0.745,514 0.962,515 0.931,516 1.066,517 0.629,518 1.128,519 0.976,520 0.943,521 1.194,522 1.003,523 0.93,524 1.055,525 0.604,526 0.652,527 1.208,528 0.984,529 0.618,530 0.949,531 0.778,532 0.817,533 1.389,534 1.139,535 0.803,536 1.088,537 0.503,538 0.749,539 0.857,540 1.162,541 0.526,542 1,543 0.677,544 0.871,545 0.717,546 1.027,547 0.618,548 1.099,549 8,550 0.251,551 3.778,552 2.132,553 1.831,554 0.99,555 0.818,556 0.55,557 0.498,558 0.385,559 12565,560 49757,561 2.057,562 34,564 13,565 2,567 1,572 1.743,573 1.908,574 3.372,575 -0.297,582 86.958,583 1.85,584 3.494,585 4.287,586 5.054,587 5.198,588 5.198,589 2.75,590 4.607,591 4.927,592 3.571,593 1660.29,594 8.64,595 23856.2,600 261.066,601 1.595,602 4.87,603 0.235,604 0.008,605 0.077,606 0.045,607 0.043,608 0.022,609 0.019,610 0.011,611 0.011,612 0.01,613 0.482,614 0.17,615 0.88,616 0.744,617 160.055,618 -0.051,619 -0.074,620 0.015,621 -0.049,622 -0.087,623 -0.002,624 0.262,625 0.163,626 0.059,627 -0.01,628 0.35,629 -0.053,630 -0.078,631 -0.15,632 -0.096,633 -0.146,634 -0.006,635 -0.178,636 -0.162,637 -0.051,638 -0.121,639 0.019,640 -0.115,641 -0.045,642 0.065,643 0.148,644 0.006,645 0.136,646 0.024,647 0.107,648 -0.095,649 0.031,650 -0.22,651 0.002,652 -0.121,653 -0.056,654 0.183,655 0.06,656 0.231,657 -0.093,658 0.137,659 0.046,660 0.024,661 -0.128,662 0.086,663 -0.133,664 0.004,665 -0.078,666 5.72,667 5.427,668 0.677,669 29.157,670 1.041,671 1.137,672 4.369,673 19.088,674 0.706,675 3.555,676 3.912,677 4.127,678 4.357,679 4.564,680 4.595,681 4.754,682 4.836,683 4.898,684 4.97,685 6.727,686 0.701,687 448.47,688 3.555,689 5.118,690 5.958,691 6.843,692 7.7,693 8.582,694 9.447,695 10.327,696 11.196,697 12.075,698 4.3,705 2,715 11,720 7,722 18,739 2,740 1,741 47,743 19,744 3,745 34,747 50,748 22,749 18,750 7,751 11,756 4,757 5,761 1,763 1,769 1,772 19,773 3,777 1,783 1,786 1,791 4,793 16,794 8,795 1,796 9,797 1,802 2,808 0.75,809 2,828 1,829 3,832 1,859 3,862 1,866 4,868 31,876 2,877 1,878 2,881 1,882 1,892 4,893 4.3,898 2,901 16.25,902 8.438,903 6.583,904 2.565,907 2.315,908 1.311,909 1.008,910 6.144,911 9.769,912 3.807,913 4.401,914 4.903,915 5.422,916 5.932,917 6.011,918 6.306,919 6.54,920 6.778,921 7.08,922 0.857,923 47,924 11.913,926 5.602,927 0.026,929 8.298,931 20.847,933 16.979,936 2.798,937 86.75,941 176.567,942 197.723,943 21.135,945 22,946 59.84,947 45.192,948 152.531,949 198.566,950 80.976,952 29.891,953 104.239,955 98.373,956 38.787,957 153.024,958 52.952,959 176.567,960 173.666,961 81.84,962 45.192,964 191.527,965 66.88,968 37.651,969 136.016,971 45.192,972 236.407,973 43.135,974 197.723,977 184.326,978 40.533,979 107.363,980 18.011,981 127.032,982 176.567,983 102.975,984 197.723,986 0.595,987 0.332,988 0.169,989 0.093,990 24,991 11,992 0.08,993 4,994 1,995 1.095,996 4.151,997 282.106,998 0.095,999 21,1000 144.825,1002 1,1005 21.565,1006 8.832,1007 5.157,1009 102.975,1010 15.814,1015 1.603,1017 18.011,1018 477.265,1019 44,1025 5.491,1028 0.156,1031 48.938,1032 53.431,1034 0.333,1035 0.629,1036 0.772,1037 0.91,1038 0.936,1039 0.936,1040 5.066,1041 1.534,1042 5.984,1043 5.242,1044 4.595,1045 5.088,1046 3.463,1047 6.815,1048 4.456,1049 6.287,1050 1.502,1051 7.565,1052 4.323,1053 4.369,1054 4.924,1055 3.963,1056 7.921,1057 4.03,1058 7.605,1059 1.132,1060 9.253,1061 4.207,1062 6.26,1063 7.232,1064 5.516,1065 10.919,1066 5.96,1067 8.955,1068 1.109,1069 11.007,1070 2.645,1071 6.815,1072 7.788,1073 6.707,1074 12.83,1075 6.297,1076 10.332,1077 1,1078 12.804,1079 2.51,1080 8.234,1081 9.63,1082 8.075,1083 15.416,1084 7.732,1085 11.728,1086 0.835,1087 14.631,1088 2.275,1089 9.125,1090 10.524,1091 9.393,1092 17.639,1093 8.424,1094 13.139,1095 0.438,1096 16.481,1097 2.184,1098 10.374,1099 12.154,1100 10.738,1101 20.105,1102 9.644,1103 3.32,1104 -0.14,1105 18.349,1106 1.074,1107 11.416,1108 13.232,1109 12.075,1110 22.451,1111 10.511,1112 3.039,1113 11.69,1114 20.231,1115 -0.336,1116 12.604,1117 14.747,1118 13.417,1119 24.887,1120 11.634,1121 2.906,1122 10.071,1123 22.125,1124 3.931,1125 13.714,1126 15.934,1127 14.758,1128 27.285,1129 12.589,1130 2.518,1131 9.233,1132 24.028,1133 3.871,1134 14.884,1135 17.383,1136 16.1,1137 29.717,1138 13.668,1139 2.369,1140 7.315,1141 25.938,1142 3.709,1143 16.026,1144 18.634,1145 17.441,1146 32.139,1147 14.668,1148 2.173,1149 6.693,1150 27.855,1151 3.204,1152 17.193,1153 20.045,1154 18.783,1155 34.575,1156 15.728,1157 1.849,1158 6.181,1159 29.778,1160 3.014,1161 18.353,1162 21.336,1163 20.124,1164 37.009,1165 16.75,1166 11989,1167 24038,1168 22.364,1169 33.171,1170 52.084,1171 52.429,1172 52.155,1173 51.805,1174 51.45,1175 65.735,1176 16.911,1177 151.286,1178 47.84,1179 5.361,1180 6.46,1181 6.662,1182 5.235,1183 5.32,1184 6.931,1185 5.335,1186 18.684,1187 4.901,1188 16.444,1189 1.532,1190 1.542,1191 1.534,1192 1.524,1193 1.513,1194 1.933,1195 0.497,1196 4.45,1197 1.407,1198 4.013,1199 4.039,1200 4.039,1201 3.919,1202 8.513,1203 3.922,1204 3.927,1205 3.95,1206 3.894,1207 3.843,1208 8.201,1209 3.847,1210 3.88,1211 3.902,1212 3.846,1213 3.797,1214 7.999,1215 3.8,1216 3.5,1217 3.539,1218 3.744,1219 3.382,1220 7.999,1221 3.34,1222 3.345,1223 3.386,1224 3.33,1225 3.101,1226 5.01,1227 3.121,1228 3.235,1229 3.272,1230 3.268,1231 2.997,1232 4.884,1233 3.027,1234 3,1235 3.07,1236 2.954,1237 2.83,1238 4.66,1239 2.825,1240 2.858,1241 2.925,1242 2.77,1243 2.735,1244 4.559,1245 2.719,1246 0.131,1247 0.131,1248 0.209,1249 0.123,1250 0.098,1251 4.455,1252 0.116,1253 4.46,1254 0.113,1255 7.116,1256 0.344,1257 4.181,1258 0.085,1259 3.32,1260 3.931,1261 3.825,1262 11.69,1263 2.901,1264 1.931,1265 1.904,1266 2.022,1267 2.041,1268 1.184,1269 2.039,1270 1.893,1271 1.869,1272 1.992,1273 1.991,1274 1.098,1275 1.991,1276 1.839,1277 1.818,1278 1.939,1279 1.927,1280 1.035,1281 1.931,1282 1.364,1283 1.329,1284 1.476,1285 1.566,1286 0.666,1287 1.549,1288 1.164,1289 1.131,1290 1.428,1291 1.517,1292 0.577,1293 1.483,1294 1.11,1295 1.071,1296 1.239,1297 1.427,1298 0.324,1299 1.353,1300 1.007,1301 0.961,1302 1.201,1303 1.227,1304 0.253,1305 1.235,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 4.234,1314 5.58,1315 2.398,1316 7.102,1317 4.595,1318 8.702,1319 6.581,1320 10.342,1324 52.531,1328 0.406,1329 2.848,1330 10.712,1333 1.659,1334 -4.47,1340 32.934,1341 86.958,1342 164.203,1343 201.502,1344 237.556,1345 244.311,1346 244.311,1347 68.157,1348 7.454,1349 33.73,1350 65.82,1351 23,1352 12.614,1353 4.322,1354 3.459,1355 49.079,1356 118,1357 115,1358 0.189,1359 200.459,1360 362.99,1361 480.88,1362 16273,1363 8.5,1364 22.01,1365 0.71,1366 0.541,1367 19.14,1368 16.765,1369 14.792,1370 0.435,1371 0.282,1372 9.019,1373 13.734,1374 8.88,1375 7.274,1376 13.475,1377 9.602,1378 14.358,1379 0.293,1380 0.146,1381 12.149,1382 7.146,1383 11.113,1384 0.182,1385 0.081,1386 10.072,1387 4.925,1388 8.994,1389 0.117,1390 0.044,1391 8.696,1392 3.375,1393 7.276,1394 0.077,1395 0.024,1396 6.705,1397 2.252,1398 0.293,1399 97.516,1400 0.211,1401 28.907,1402 0.529,1403 166,1404 760.754,1405 212.936,1406 643.21,1407 831.99,1408 596,1409 193,1410 566.389,1411 228.99,1412 555.273,1413 832.25,1414 519,1415 5.097}
{0 CHEMBL187017,1 1.187,2 7.708,3 6.67,4 44.484,5 100.373,6 6.24,7 0.462,8 4.001,9 4.123,10 3.404,11 3.588,12 4.997,13 3.516,14 4.564,15 4.757,16 3.806,17 4.03,18 5.423,19 3.934,20 4.872,21 5.062,22 4.004,23 4.268,24 5.833,25 4.156,26 5.109,27 5.335,28 3.923,29 4.36,30 5.998,31 4.207,32 5.11,33 5.363,34 3.909,35 4.401,36 5.815,37 4.219,38 5.18,39 5.445,40 3.904,41 4.386,42 5.922,43 4.198,44 5.202,45 5.482,46 3.668,47 4.241,48 6.037,49 4.024,50 5.054,51 5.389,52 3.203,53 3.865,54 5.822,55 3.607,56 0.068,57 0.655,58 12.467,59 5.693,60 11.186,61 7.654,62 0.096,63 1.118,64 21.65,65 9.803,66 12.43,67 13.487,68 0.143,69 1.498,70 29.76,71 13.072,72 31.848,73 17.933,74 0.352,75 1.786,76 38.058,77 15.521,78 57.901,79 21.301,80 0.158,81 1.864,82 36.803,83 16.54,84 29.725,85 23.348,86 0.2,87 1.94,88 39.713,89 17.134,90 26.447,91 24.17,92 0.327,93 1.869,94 41.232,95 16.336,96 55.754,97 22.915,98 0.372,99 1.493,100 35.555,101 13.013,102 56.873,103 18.447,104 37,105 39,106 0.201,107 0.46,108 0.565,109 0.605,110 0.623,111 0.623,112 3.23,113 1.034,114 -5.78,115 -5.64,116 -5.25,121 42.3,122 4,123 5,125 1,144 4,145 6,146 2,176 20,185 4,187 27,197 8,200 35,211 2,214 36,224 2,227 32,237 6,239 24,249 8,251 12,261 6,264 4,274 4,281 826,282 15.584,283 15.584,284 15.584,285 15.584,286 15.584,287 13.898,288 17.065,289 8.74,290 15.636,291 12.7,292 12.7,293 12.7,294 12.7,295 12.7,296 10.271,297 26.279,298 4.037,299 12.83,300 4.514,301 2.985,302 2.365,303 2.126,304 2.02,305 2.02,306 3.9,312 1,313 386,314 2.646,318 235.417,325 1.149,326 17.964,329 0.75,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.94,337 50,338 185,339 4.766,340 3.949,341 7.968,342 4.626,343 3.627,344 4.255,345 0.68,346 15.153,347 3.625,348 4.335,349 3.176,350 6.323,351 3.932,352 2.951,353 4.027,355 9.3,356 2.893,357 4.179,358 3.109,359 6.271,360 3.836,361 2.858,362 3.575,364 9.086,365 2.791,366 3.294,367 2.147,368 5.491,369 2.885,370 1.899,371 2.593,373 6.19,374 1.879,375 3.232,376 2.147,377 4.879,378 2.879,379 1.879,380 2.481,382 5.225,383 1.879,384 3.232,385 2.095,386 4.879,387 2.879,388 1.879,389 2.481,391 5.225,392 1.868,393 2.937,394 1.816,395 4.777,396 2.771,397 1.775,398 2.012,400 4.69,401 1.766,402 2.402,403 1.371,404 3.732,405 2.22,406 1.233,407 1.393,409 2.974,410 1.214,411 2,412 1.041,413 3.703,414 2,415 1,416 1,418 2.23,419 1,420 1.572,421 1,422 3.358,423 1.342,424 0.416,425 0.457,427 0.952,428 0.38,429 1.51,430 0.875,431 3.192,432 1.305,433 0.371,434 0.403,436 0.848,437 0.343,438 1,439 -0.11,440 2.653,441 0.653,442 -0.347,443 -0.445,445 -0.898,446 -0.347,447 1,448 -0.11,449 2.653,450 0.653,451 -0.347,452 -0.445,454 -0.898,455 -0.347,456 0.563,457 -0.286,458 2.461,459 0.512,460 -0.485,461 -0.504,463 -1.118,464 -0.483,465 0.205,466 -0.573,467 2.343,469 -1,470 -1,472 -2.508,473 -1,474 11.667,475 0.486,476 0.824,477 0.034,478 26.5,479 1.104,480 13,481 0.542,482 13.5,483 0.563,484 26.97,485 1.124,486 26.733,487 0.514,488 17.992,489 0.75,490 4.587,491 0.191,492 6.761,493 0.282,494 0.229,495 0.043,496 0.343,501 0.974,502 1.042,503 1.014,504 1.04,505 1.023,506 1.032,507 0.511,508 0.943,509 0.793,510 0.938,511 0.484,512 0.896,513 0.726,514 1.209,515 1.004,516 1.198,517 0.653,518 1.134,519 1.498,520 1.004,521 1.218,522 1.016,523 1.489,524 1.083,525 0.268,526 1.108,527 0.99,528 1.119,529 0.337,530 1.117,531 0.46,532 1.123,533 0.97,534 1.124,535 0.473,536 1.095,537 1.109,538 1.133,539 1.107,540 1.13,541 1.122,542 1.12,543 1.407,544 0.765,545 0.886,546 0.76,547 1.397,548 0.776,549 6.5,551 4.444,552 2.375,553 1.671,554 1.514,555 0.813,556 0.566,557 0.271,558 0.051,559 5028,560 10390,561 1.982,562 53.8,563 22,564 4,567 2,572 1.68,573 1.789,574 2.927,575 0.132,582 61.709,583 1.187,584 2.715,585 3.335,586 3.575,587 3.681,588 3.681,589 2.392,590 3.018,591 4.558,592 3.047,593 840.977,594 7.923,595 9451.85,600 296.423,601 1.75,602 4.469,603 0.25,605 0.114,606 0.053,607 0.042,608 0.038,609 0.021,610 0.022,611 0.018,612 0.009,613 0.566,614 0.67,615 0.88,616 0.691,617 109.932,618 -0.083,619 0.115,620 0.014,621 0.108,622 -0.116,623 0.075,624 0.061,625 0.144,626 0.185,627 0.152,628 0.083,629 0.176,630 0.049,631 -0.135,632 -0.012,633 -0.125,634 0.132,635 -0.08,636 -0.219,637 0.011,638 -0.2,639 -0.009,640 -0.212,641 -0.091,642 0.02,643 -0.085,644 -0.065,645 -0.086,646 -0.027,647 -0.083,648 0.053,649 -0.128,650 -0.031,651 -0.121,652 0.04,653 -0.088,654 -0.035,655 -0.184,656 -0.128,657 -0.181,658 -0.045,659 -0.165,660 -0.042,661 0.109,662 0.099,663 0.112,664 -0.051,665 0.117,666 1.261,667 4.175,668 0.75,669 15.951,670 0.981,671 1.12,672 4.546,673 20.662,674 0.646,675 3.296,676 3.689,677 4.007,678 4.234,679 4.511,680 4.635,681 4.691,682 4.654,683 4.575,684 4.394,685 4.821,686 0.592,687 324.5,688 3.296,689 4.875,690 5.759,691 6.671,692 7.579,693 8.499,694 9.415,695 10.339,696 11.259,697 12.184,715 4,720 8,722 12,738 2,741 52,743 12,744 2,745 26,747 54,748 22,749 12,750 8,751 4,756 3,757 3,763 4,764 1,766 1,767 5,770 5,772 12,773 10,793 28,794 2,795 2,796 2,808 1,809 2,829 3,859 3,864 4,868 24,875 2,876 5,882 1,893 3.8,895 2,901 13.417,902 10.483,903 5.194,904 3.392,907 1.911,908 1.283,909 0.918,910 4.547,911 8.663,912 3.497,913 4.143,914 4.714,915 5.232,916 5.772,917 6.042,918 6.27,919 6.497,920 6.712,921 6.932,922 1,923 45,924 8.937,926 3.81,927 0.026,929 7.587,931 17.647,933 15.118,936 2.087,937 50.083,941 306.049,942 104.992,945 85.367,948 104.992,949 391.415,951 35.301,952 12.673,953 37.905,954 85.367,955 19.113,957 306.049,959 306.049,960 104.992,961 85.367,964 306.049,965 85.367,968 47.973,969 57.018,972 306.049,973 85.367,974 104.992,977 306.049,978 31.786,979 73.206,981 85.367,982 306.049,983 85.367,984 104.992,986 0.604,987 0.374,988 0.186,989 0.105,990 20,991 10,992 0.037,993 2,995 1,996 3.299,997 208.132,999 18,1000 76.039,1005 17.195,1006 6.346,1007 2.928,1009 85.367,1010 8.632,1015 7.207,1017 85.367,1018 496.407,1019 32,1031 51.025,1032 58.232,1034 0.208,1035 0.476,1036 0.585,1037 0.627,1038 0.646,1039 0.646,1040 4.787,1041 1.233,1042 5.82,1043 4.69,1044 4.369,1045 4.828,1046 0.655,1047 6.76,1048 4.349,1049 6.044,1050 1,1051 7.483,1052 2.974,1053 4.29,1054 4.89,1056 8.205,1057 4.257,1058 7.408,1059 0.416,1060 9.265,1061 2.23,1062 6.138,1063 7.076,1064 0.356,1065 11.338,1066 6.104,1067 8.811,1068 0.371,1069 11.121,1070 0.952,1071 6.868,1072 7.879,1074 13.662,1075 6.823,1076 10.246,1077 -0.347,1078 13.03,1079 0.848,1080 8.289,1081 9.625,1082 0.18,1083 16.46,1084 8.247,1085 11.703,1086 -0.347,1087 14.977,1088 -0.898,1089 9.346,1090 10.746,1092 19.065,1093 9.3,1094 13.178,1095 -0.485,1096 16.952,1097 -0.898,1098 10.643,1099 12.32,1100 0.087,1101 21.795,1102 10.601,1103 3.627,1104 -1,1105 18.951,1106 -1.118,1107 11.828,1108 13.592,1110 24.48,1111 11.786,1112 2.951,1113 15.153,1114 20.966,1115 -2.508,1116 13.095,1117 15.088,1118 0.041,1119 27.199,1120 13.057,1121 2.858,1122 9.3,1123 22.995,1124 4.255,1125 14.331,1126 16.434,1128 29.907,1129 14.295,1130 1.899,1131 9.086,1132 25.034,1133 4.027,1134 15.596,1135 17.895,1136 0.019,1137 32.624,1138 15.564,1139 1.879,1140 6.19,1141 27.081,1142 3.575,1143 16.855,1144 19.279,1146 35.339,1147 16.825,1148 1.879,1149 5.225,1150 29.135,1151 2.593,1152 18.125,1153 20.723,1154 0.009,1155 38.057,1156 18.098,1157 1.775,1158 5.225,1159 31.193,1160 2.481,1161 19.396,1162 22.129,1164 40.774,1165 19.371,1166 5070,1167 7348,1168 16.414,1169 33.569,1170 39.839,1171 40.541,1172 43.147,1173 39.689,1174 39.775,1175 49.354,1176 1.36,1177 123.747,1178 39.279,1179 5.766,1180 5.949,1181 7.7,1182 5.626,1183 5.627,1184 7.255,1185 1.36,1186 23.239,1187 5.625,1188 14.648,1189 1.532,1190 1.559,1191 1.66,1192 1.527,1193 1.53,1194 1.898,1195 0.052,1196 4.759,1197 1.511,1198 4.081,1199 4.105,1200 4.023,1201 4.031,1202 6.471,1203 4.026,1204 3.884,1205 3.904,1206 3.83,1207 3.823,1208 6.465,1209 3.822,1210 3.745,1211 3.796,1212 3.615,1213 3.643,1214 4.691,1215 3.629,1216 3.266,1217 3.35,1218 3.115,1219 3.129,1220 4.526,1221 3.117,1222 3.266,1223 3.35,1224 3.067,1225 3.125,1226 4.178,1227 3.101,1228 3.247,1229 3.303,1230 3.067,1231 3.125,1232 3.966,1233 3.101,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.966,1239 2.91,1240 2.949,1241 3.038,1242 2.781,1243 2.794,1244 3.762,1245 2.775,1246 0.183,1247 0.152,1248 0.306,1249 0.178,1250 0.139,1251 4.766,1252 0.164,1253 3.949,1254 0.026,1255 7.968,1256 0.583,1257 4.626,1258 0.139,1259 3.627,1260 4.255,1261 0.68,1262 15.153,1263 3.625,1264 2.052,1265 2.03,1266 2.168,1267 2.124,1268 1.532,1269 2.139,1270 1.879,1271 1.859,1272 1.996,1273 1.967,1274 1.191,1275 1.977,1276 1.761,1277 1.713,1278 1.967,1279 1.898,1280 1.142,1281 1.924,1282 1.303,1283 1.226,1284 1.639,1285 1.507,1286 0.825,1287 1.557,1288 1.303,1289 1.226,1290 1.639,1291 1.507,1292 0.788,1293 1.557,1294 1.255,1295 1.2,1296 1.526,1297 1.424,1298 0.719,1299 1.46,1300 1.153,1301 1.064,1302 1.513,1303 1.376,1304 0.719,1305 1.429,1306 0.985,1307 0.901,1308 1.352,1309 1.213,1310 0.429,1311 1.267,1312 3.97,1314 5.342,1316 6.932,1318 8.621,1320 10.358,1322 7.927,1327 20.35,1328 5.977,1334 -0.009,1340 30.805,1341 61.709,1342 141.196,1343 173.429,1344 185.894,1345 191.403,1346 191.403,1347 47.536,1348 6.752,1349 40.46,1350 40.46,1351 18,1352 12.69,1353 3.7,1354 2.807,1355 38.766,1356 65,1357 68,1358 0.288,1359 190.05,1360 332.02,1361 455.482,1362 5572,1364 17.483,1365 0.728,1366 0.635,1367 17.483,1368 15.239,1369 11.348,1370 0.436,1371 0.345,1372 8.933,1373 11.221,1374 8.487,1375 7.134,1376 11.348,1377 8.964,1378 10.758,1379 0.276,1380 0.194,1381 10.758,1382 7.56,1383 9.626,1384 0.178,1385 0.107,1386 9.626,1387 5.794,1388 7.267,1389 0.107,1390 0.064,1391 7.267,1392 4.364,1393 5.914,1394 0.066,1395 0.036,1396 5.914,1397 3.245,1398 0.424,1399 69.242,1400 0.247,1401 22.453,1402 0.884,1403 130,1404 270.299,1405 134.207,1406 273.547,1407 380.1,1408 254,1409 158,1410 286.061,1411 162.651,1412 299.55,1413 437.88,1414 280,1415 4.824}
{0 CHEMBL187030,1 1.818,2 16.059,3 7.32,4 53.585,5 123.138,6 8.476,7 0.324,8 4.17,9 4.273,10 3.86,11 3.73,12 5.313,13 3.712,14 4.753,15 4.893,16 4.338,17 4.139,18 6.343,19 4.086,20 4.996,21 5.207,22 4.191,23 4.244,24 6.039,25 4.146,26 4.985,27 5.211,28 4.205,29 4.17,30 6.147,31 4.083,32 4.941,33 5.163,34 4.169,35 4.109,36 6.271,37 4.027,38 4.819,39 5.041,40 3.975,41 3.999,42 6,43 3.9,44 4.65,45 4.868,46 3.945,47 3.869,48 5.876,49 3.777,50 4.563,51 4.75,52 3.914,53 3.773,54 5.841,55 3.725,56 0.174,57 1.051,58 9.984,59 5.862,60 30.83,61 6.389,62 1.279,63 1.995,64 24.274,65 10.334,66 175.487,67 12.05,68 0.729,69 1.797,70 36.345,71 13.336,72 98.961,73 16.366,74 0.764,75 1.851,76 35,77 12.653,78 82.713,79 15.944,80 0.994,81 1.883,82 36.464,83 12.867,84 125.568,85 14.871,86 0.822,87 1.587,88 31.625,89 11.239,90 110.383,91 12.946,92 0.701,93 1.304,94 26.453,95 9.171,96 70.192,97 11.509,98 0.621,99 1.269,100 24.725,101 8.187,102 80.942,103 8.615,104 28,105 52,106 0.297,107 0.602,108 0.723,109 0.814,110 0.83,111 0.83,112 3.56,113 0.969,114 -4.97,115 -4.87,116 -4.57,121 41.4,123 6,124 1,129 1,135 1,144 8,145 1,146 3,160 2,161 1,176 13,180 6,183 3,185 4,187 17,192 6,197 3,200 15,205 1,206 5,211 3,214 13,218 1,219 3,222 3,223 1,224 2,227 10,231 1,232 4,235 1,237 1,239 7,243 1,244 7,249 3,251 5,256 8,261 6,264 3,269 6,274 4,277 3,281 2370,282 22.427,283 22.427,284 22.427,285 22.427,286 22.427,287 20.512,288 25.504,289 13.252,290 23.175,291 18.336,292 18.336,293 18.336,294 18.336,295 18.336,296 15.349,297 27.812,298 6.411,299 19.715,300 4.04,301 2.167,302 1.426,303 0.867,304 0.772,305 0.772,306 4.252,312 1,313 1172,314 4.123,317 112.251,318 399.255,325 2.772,326 51.123,329 1,330 0.83,331 1,332 1,333 0.5,334 1,335 1,336 0.9,337 77,338 546,339 4.228,340 4.738,341 6.455,342 3.912,343 3.139,344 3.756,345 4.032,346 10.195,347 2.865,348 4.204,349 4.437,350 6.175,351 3.896,352 2.976,353 3.67,354 3.878,355 9.219,356 2.76,357 4.097,358 3.642,359 6.141,360 3.854,361 2.863,362 3.378,363 1.907,364 9.049,365 2.597,366 3.967,367 3.498,368 5.54,369 3.601,370 2.649,371 3.146,372 1.898,373 7.555,374 2.398,375 3.762,376 3.087,377 5.461,378 3.431,379 2.464,380 3.01,381 0.835,382 7.268,383 2.336,384 3.588,385 3.005,386 5.162,387 3.231,388 2.262,389 2.804,390 0.394,391 6.463,392 2.137,393 3.302,394 2.762,395 4.926,396 2.919,397 1.973,398 2.491,399 0.155,400 5.725,401 1.855,402 3.225,403 2.471,404 4.707,405 2.834,406 1.842,407 2.36,408 0.149,409 5.039,410 1.8,411 2.923,412 2.332,413 4.424,414 2.648,415 1.692,416 1.973,418 4.417,419 1.581,420 2.5,421 1.846,422 4.079,423 2.158,424 1.231,425 1.5,427 3.401,428 1.14,429 2.5,430 1.255,431 3.503,432 2.142,433 1.149,434 1.5,436 2.696,437 1.102,438 2.474,439 1.096,440 3.414,441 2,442 1,443 1.394,445 2.275,446 1,447 2.251,448 1,449 3.414,450 2,451 1,452 1.237,454 2.275,455 1,456 2,457 1,458 3.247,459 2,460 1,461 1,463 2.136,464 1,465 1.479,466 1,467 3.168,468 1.162,469 0.252,470 0.289,472 0.657,473 0.225,474 15.89,475 0.467,476 1.01,477 0.03,478 39.75,479 1.169,480 18,481 0.529,482 21.75,483 0.64,484 32.154,485 0.946,486 38.11,487 0.657,488 31.99,489 0.941,490 7.241,491 0.213,492 9.007,493 0.265,494 0.096,495 0.031,496 0.283,500 3,501 0.606,502 0.988,503 0.677,504 0.983,505 0.556,506 0.922,507 0.222,508 0.769,509 0.802,510 1.103,511 0.277,512 1.099,513 0.595,514 0.756,515 0.965,516 1.056,517 0.547,518 1.058,519 0.63,520 0.863,521 0.772,522 0.975,523 0.583,524 0.997,525 0.832,526 0.948,527 1.001,528 1.004,529 0.881,530 0.969,531 0.914,532 0.854,533 1.074,534 0.979,535 0.941,536 1.024,537 0.473,538 0.639,539 0.885,540 0.966,541 0.534,542 0.939,543 1.132,544 0.97,545 1.241,546 1.076,547 1.075,548 0.958,549 9,550 0.237,551 2.889,552 2.479,553 1.441,554 1.063,555 0.857,556 0.421,557 0.381,558 0.242,559 20002,560 65415,561 2.052,562 41.4,563 11,564 9,567 2,568 2,572 1.753,573 1.915,574 3.923,575 0.235,582 105.42,583 1.818,584 3.691,585 4.432,586 4.991,587 5.086,588 5.086,589 3.425,590 4.595,591 5.055,592 4.161,593 2334.14,594 8.827,595 38970.1,600 339.763,601 1.533,602 5.01,603 0.243,604 0.008,605 0.056,606 0.053,607 0.032,608 0.024,609 0.024,610 0.012,611 0.011,612 0.007,613 0.47,614 0.17,615 0.88,616 0.856,617 188.271,618 -0.043,619 -0.032,620 0.039,621 0.032,622 -0.054,623 0.037,624 0.585,625 0.25,626 0.108,627 -0.047,628 0.46,629 -0.127,630 -0.023,631 -0.064,632 -0.016,633 -0.062,634 -0.007,635 -0.029,636 0.025,637 -0.118,638 0.142,639 -0.034,640 0.05,641 0.025,642 0.043,643 -0.02,644 0.043,645 0.018,646 0.043,647 0.046,648 -0.083,649 0.022,650 -0.058,651 0.026,652 -0.086,653 -0.013,654 0.172,655 0.086,656 0.14,657 0.044,658 0.096,659 0.081,660 -0.202,661 -0.074,662 -0.112,663 -0.008,664 -0.133,666 6.033,667 5.325,668 0.676,669 47.696,670 1.026,671 1.139,672 3.738,673 13.969,674 0.672,675 3.638,676 3.97,677 4.127,678 4.382,679 4.543,680 4.533,681 4.718,682 4.762,683 4.828,684 4.934,685 9.351,686 0.653,687 491.58,688 3.638,689 5.187,690 6.004,691 6.878,692 7.708,693 8.581,694 9.419,695 10.289,696 11.132,697 12.001,698 5.2,705 2,707 1,715 8,720 4,722 12,739 1,741 58,743 15,744 2,745 37,747 61,748 24,749 12,750 4,751 8,752 1,756 4,757 4,767 6,768 1,770 7,772 15,773 9,774 1,777 3,782 2,785 1,786 3,791 3,793 24,794 9,795 2,796 10,797 1,802 3,808 1,809 3,828 1,829 3,843 2,859 4,860 1,862 1,866 3,868 34,876 6,877 2,878 1,879 1,880 2,882 1,892 3,893 5.2,896 2,898 1,901 17.75,902 10.129,903 7.264,904 3.624,907 2.71,908 1.341,909 0.971,910 7.849,911 10.652,912 3.85,913 4.369,914 4.766,915 5.277,916 5.748,917 5.868,918 6.251,919 6.481,920 6.643,921 6.909,922 0.909,923 47,924 13.252,926 6.217,927 0.026,929 8.203,931 23.536,933 19.636,936 2.703,937 91.917,941 258.964,942 157.099,943 52.807,945 61.29,946 44.88,947 32.22,948 124.879,949 320.254,950 97.687,952 51.229,953 75.81,954 59.699,955 86.608,956 0.693,957 291.184,958 9.817,959 258.964,960 177.686,961 106.17,962 32.22,964 258.964,965 61.29,966 44.88,967 9.817,968 68.014,969 99.855,971 32.22,972 303.845,973 114.097,974 157.099,977 268.782,978 71.472,979 75.81,980 36.022,981 122.956,982 258.964,983 158.977,984 157.099,986 0.587,987 0.309,988 0.167,989 0.091,990 24,991 11,992 0.098,993 6,995 1,996 4.655,997 297.435,999 23,1000 156.219,1001 1,1005 24.625,1006 10.837,1007 7.251,1009 158.977,1010 12.857,1015 1.965,1017 36.022,1018 575.04,1019 46,1024 24.61,1027 4.485,1028 -0.316,1031 59.505,1032 66.045,1034 0.31,1035 0.63,1036 0.757,1037 0.852,1038 0.868,1039 0.868,1040 5.112,1041 1.842,1042 6.014,1043 5.725,1044 4.654,1045 5.056,1046 4.198,1047 6.795,1048 4.527,1049 6.304,1050 1.692,1051 7.555,1052 5.039,1053 4.369,1054 4.844,1055 4.265,1056 7.766,1057 4.065,1058 7.601,1059 1.231,1060 9.194,1061 4.417,1062 6.271,1063 7.09,1064 6.597,1065 10.704,1066 5.993,1067 8.922,1068 1.149,1069 10.889,1070 3.401,1071 6.735,1072 7.567,1073 7.131,1074 12.437,1075 6.262,1076 10.269,1077 1,1078 12.619,1079 2.696,1080 8.159,1081 9.371,1082 9.258,1083 14.933,1084 7.704,1085 11.631,1086 1,1087 14.372,1088 2.275,1089 8.958,1090 10.168,1091 9.943,1092 16.977,1093 8.324,1094 13.005,1095 1,1096 16.142,1097 2.275,1098 10.192,1099 11.774,1100 11.971,1101 19.325,1102 9.547,1103 3.139,1104 0.252,1105 17.924,1106 2.136,1107 11.151,1108 12.75,1109 12.751,1110 21.505,1111 10.353,1112 2.976,1113 10.195,1114 19.717,1115 0.657,1116 12.305,1117 14.247,1118 14.696,1119 23.805,1120 11.47,1121 2.863,1122 9.219,1123 21.518,1124 3.756,1125 13.342,1126 15.334,1127 15.554,1128 26.044,1129 12.376,1130 2.649,1131 9.049,1132 23.325,1133 3.67,1134 14.466,1135 16.764,1136 17.428,1137 28.331,1138 13.443,1139 2.464,1140 7.555,1141 25.138,1142 3.378,1143 15.541,1144 17.925,1145 18.353,1146 30.599,1147 14.404,1148 2.262,1149 7.268,1150 26.956,1151 3.146,1152 16.655,1153 19.312,1154 20.163,1155 32.886,1156 15.447,1157 1.973,1158 6.463,1159 28.777,1160 3.01,1161 17.75,1162 20.522,1163 21.147,1164 35.168,1165 16.439,1166 19016,1167 35052,1168 24.444,1169 38.978,1170 55.957,1171 57.39,1172 55.689,1173 55.4,1174 55.109,1175 67.169,1176 26.498,1177 157.077,1178 51.713,1179 5.228,1180 6.738,1181 6.257,1182 5.043,1183 5.139,1184 6.756,1185 7.751,1186 16.48,1187 4.865,1188 18.212,1189 1.512,1190 1.551,1191 1.505,1192 1.497,1193 1.489,1194 1.815,1195 0.716,1196 4.245,1197 1.398,1198 4.007,1199 4.042,1200 4.072,1201 3.935,1202 8.516,1203 3.926,1204 3.922,1205 3.95,1206 3.872,1207 3.83,1208 7.999,1209 3.833,1210 3.805,1211 3.843,1212 3.866,1213 3.708,1214 7.999,1215 3.679,1216 3.715,1217 3.752,1218 3.609,1219 3.622,1220 7.433,1221 3.602,1222 3.471,1223 3.501,1224 3.491,1225 3.206,1226 7.424,1227 3.236,1228 3.357,1229 3.394,1230 3.351,1231 3.012,1232 4.849,1233 3.057,1234 3.15,1235 3.21,1236 3.055,1237 2.941,1238 4.808,1239 2.985,1240 3.111,1241 3.206,1242 2.931,1243 2.931,1244 4.448,1245 2.91,1246 0.114,1247 0.128,1248 0.174,1249 0.106,1250 0.085,1251 4.228,1252 0.102,1253 4.738,1254 0.109,1255 6.455,1256 0.276,1257 3.912,1258 0.077,1259 3.139,1260 3.756,1261 4.032,1262 10.195,1263 2.865,1264 1.977,1265 1.944,1266 2.136,1267 2.073,1268 1.505,1269 2.096,1270 1.884,1271 1.859,1272 1.987,1273 2.004,1274 1.117,1275 1.997,1276 1.763,1277 1.715,1278 1.936,1279 1.892,1280 1.088,1281 1.911,1282 1.611,1283 1.586,1284 1.754,1285 1.792,1286 1.039,1287 1.784,1288 1.295,1289 1.247,1290 1.513,1291 1.581,1292 0.825,1293 1.522,1294 1.157,1295 1.132,1296 1.46,1297 1.512,1298 0.752,1299 1.429,1300 1.153,1301 1.064,1302 1.331,1303 1.376,1304 0.309,1305 1.414,1306 1.08,1307 1.028,1308 1.181,1309 1.356,1310 0.292,1311 1.352,1312 4.317,1314 5.645,1315 2.398,1316 7.136,1317 4.727,1318 8.696,1319 6.783,1320 10.291,1324 36.715,1328 6.177,1329 5.272,1330 3.799,1331 1.177,1332 -0.041,1334 -4.783,1340 37.867,1341 105.42,1342 214.095,1343 257.034,1344 289.498,1345 295.008,1346 295.008,1347 86.342,1348 7.942,1349 79.79,1350 105.09,1351 23,1352 12.55,1353 4,1354 3.322,1355 57.409,1356 190,1357 177,1358 0.142,1359 232.164,1360 424.85,1361 558.239,1362 36944,1363 5.2,1364 24.131,1365 0.71,1366 0.56,1367 21.985,1368 19.047,1369 16.248,1370 0.439,1371 0.323,1372 10.966,1373 15.07,1374 10.765,1375 8.837,1376 15.51,1377 11.949,1378 15.718,1379 0.302,1380 0.182,1381 14.03,1382 9.455,1383 11.329,1384 0.186,1385 0.111,1386 11.774,1387 6.801,1388 9.688,1389 0.123,1390 0.064,1391 9.94,1392 5.075,1393 7.583,1394 0.082,1395 0.037,1396 7.767,1397 3.395,1398 0.235,1399 106.963,1400 0.202,1401 32.542,1402 0.361,1403 178,1404 730.711,1405 238.43,1406 637.499,1407 828.05,1408 590,1409 202,1410 562.269,1411 246.414,1412 558.468,1413 837.15,1414 524,1415 5.538}
{0 CHEMBL187266,1 1.309,2 6.955,3 4.661,4 21.725,5 85.089,6 7.359,7 0.44,8 3.79,9 3.883,10 3.362,11 3.423,12 4.856,13 3.388,14 4.378,15 4.531,16 3.822,17 3.892,18 5.378,19 3.847,20 4.664,21 4.814,22 3.997,23 4.102,24 5.835,25 4.038,26 4.87,27 5.077,28 3.972,29 4.123,30 5.943,31 4.035,32 4.781,33 4.991,34 3.736,35 3.952,36 5.91,37 3.844,38 4.581,39 4.815,40 3.411,41 3.649,42 5.671,43 3.54,44 4.23,45 4.412,46 3.096,47 3.32,48 5.429,49 3.232,50 3.992,51 4.193,52 2.54,53 3.038,54 5.028,55 2.899,56 0.004,57 0.487,58 7.948,59 4.158,60 5,61 5.148,62 0.063,63 0.875,64 15.955,65 7.512,66 13.433,67 9.59,68 0.147,69 1.16,70 21.358,71 9.939,72 41.807,73 12.708,74 0.284,75 1.4,76 29.02,77 12.029,78 43.025,79 15.712,80 0.338,81 1.263,82 27.163,83 10.793,84 66.025,85 13.899,86 0.311,87 1.013,88 23.454,89 8.61,90 65.7,91 10.937,92 0.267,93 0.693,94 15.989,95 5.741,96 54.664,97 6.683,98 0.316,99 0.538,100 13.186,101 4.457,102 45.096,103 5.127,104 26,105 40,106 0.231,107 0.574,108 0.772,109 0.807,110 0.816,111 0.816,112 3.15,113 0.931,114 -4.19,115 -4.13,116 -3.91,121 47.5,122 3,123 3,125 1,144 2,145 6,153 1,154 1,159 2,176 15,180 5,187 21,191 1,192 8,200 21,205 1,206 9,214 17,218 1,219 9,227 10,232 8,239 6,244 6,251 7,264 5,277 3,281 506,282 14.438,283 14.438,284 14.438,285 14.438,286 14.438,287 12.992,288 12.306,289 7.859,290 14.391,291 12.263,292 12.263,293 12.263,294 12.263,295 12.263,296 9.815,297 10.117,298 3.631,299 12.154,300 4.013,301 2.072,302 0.957,303 0.757,304 0.707,305 0.707,306 3.838,311 1,312 1,313 337,314 2.739,317 29.675,318 95.601,321 50.163,322 105.714,325 1.145,326 27.676,328 1,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 47,338 153,339 4.801,340 3.921,341 7.456,342 4.526,343 3.522,344 4.504,346 13.224,347 3.54,348 4.524,349 3.654,350 7.111,351 4.318,352 3.309,353 4.042,355 12.183,356 3.338,357 4.066,358 3.089,359 6.483,360 3.759,361 2.754,362 3.406,364 9.92,365 2.766,366 3.775,367 2.957,368 5.933,369 3.435,370 2.396,371 3.096,373 7.944,374 2.48,375 3.349,376 2.511,377 5.538,378 3.066,379 2.062,380 2.549,382 6.742,383 2.069,384 2.974,385 2.257,386 4.837,387 2.603,388 1.595,389 2.108,391 4.653,392 1.607,393 2.807,394 1.657,395 4.448,396 2.508,397 1.496,398 1.888,400 3.954,401 1.512,402 2.543,403 1.424,404 4.072,405 2.17,406 1.168,407 1.519,409 2.941,410 1.17,411 2.285,412 1.174,413 3.774,414 1.976,415 0.959,416 1.238,418 2.408,419 0.972,420 2.104,421 1.036,422 3.322,423 1.49,424 0.399,425 0.633,427 0.983,428 0.43,429 1.176,430 0.349,431 3.015,432 0.977,433 -0.043,434 -0.049,436 -0.111,437 -0.044,438 1.1,439 0.104,440 2.866,441 0.792,442 -0.221,443 -0.272,445 -0.606,446 -0.224,447 0.668,448 -0.373,449 2.741,450 0.368,451 -0.638,452 -0.729,454 -1.648,455 -0.641,456 0.574,457 -0.41,458 2.245,459 0.34,460 -0.688,461 -0.908,463 -1.832,464 -0.707,465 0.198,466 -0.672,467 2.166,469 -1,470 -1,472 -3,473 -1,474 10.5,475 0.477,476 0.842,477 0.038,478 26.5,479 1.205,480 13,481 0.591,482 13.5,483 0.614,484 21.078,485 0.958,486 23.1,487 0.578,488 18.404,489 0.837,490 4.647,491 0.211,492 5.768,493 0.262,494 0.206,495 0.048,496 0.429,501 0.581,502 1.001,503 0.747,504 0.989,505 0.511,506 0.91,507 0.637,508 0.818,509 0.632,510 0.802,511 0.502,512 0.73,513 0.604,514 1.136,515 0.864,516 1.128,517 0.571,518 1.052,519 0.812,520 1.023,521 0.867,522 1.013,523 0.711,524 0.96,525 1.061,526 1.11,527 1.075,528 1.108,529 1.282,530 1.096,531 1.47,532 0.917,533 1.09,534 0.911,535 1.681,536 0.936,537 2.103,538 1.113,539 1.492,540 1.111,541 2.239,542 1.19,543 2.453,544 0.841,545 1.758,546 0.878,547 1.937,548 1.155,549 5,551 4,552 2.75,553 2.441,554 1.153,555 0.549,556 0.295,557 0.149,558 0.016,559 4154,560 9617,561 2.081,562 45,563 15,564 2,565 1,572 1.654,573 1.872,574 2.809,575 -0.851,582 52.353,583 1.309,584 3.25,585 4.365,586 4.565,587 4.615,588 4.615,589 2.313,590 4.096,591 4.437,592 2.91,593 672.124,594 7.663,595 6827.72,597 1,600 212.877,601 1.742,602 4.348,603 0.2,605 0.1,606 0.061,607 0.058,608 0.037,609 0.025,610 0.02,611 0.019,612 0.005,613 0.525,614 1,615 1,616 0.688,617 96.326,618 0.001,619 0.028,620 0.057,621 0.033,622 -0.021,623 0.05,624 0.028,625 0.192,626 0.244,627 0.207,628 0.053,629 0.251,630 0.137,631 -0.137,632 0.019,633 -0.131,634 0.177,635 -0.084,636 0.1,637 -0.048,638 0.099,639 -0.036,640 0.093,641 0.021,642 0.027,643 -0.143,644 -0.081,645 -0.143,646 -0.039,647 -0.132,648 -0.155,649 0.041,650 -0.036,651 0.041,652 -0.177,653 0.024,654 -0.358,655 -0.15,656 -0.43,657 -0.176,658 -0.344,659 -0.292,660 -0.582,661 0.119,662 -0.665,663 0.051,664 -0.422,665 -0.259,666 2.092,667 5.721,668 0.773,669 12.545,670 0.998,671 1.109,672 2.961,673 8.766,674 0.68,675 3.258,676 3.714,677 4.094,678 4.454,679 4.736,680 4.927,681 5.13,682 5.303,683 5.416,684 5.342,685 4.324,686 0.647,687 294.37,688 3.258,689 4.875,690 5.796,691 6.751,692 7.688,693 8.645,694 9.588,695 10.544,696 11.489,697 12.445,715 3,718 1,720 7,722 11,727 2,741 40,743 13,744 1,745 25,747 43,748 19,749 10,750 4,751 2,752 2,756 4,757 10,763 3,764 1,766 1,767 3,770 3,772 12,773 7,777 2,782 2,786 2,790 1,792 1,793 18,794 3,796 3,808 0.25,809 3,828 1,829 3,832 1,833 2,859 1,864 3,868 22,876 3,882 1,893 7.5,896 2,898 1,901 11.75,902 8.5,903 4.542,904 2.667,907 2.428,908 1.318,909 0.996,910 2.651,911 10.061,912 3.512,913 4.186,914 4.868,915 5.502,916 6.024,917 6.46,918 6.915,919 7.306,920 7.642,921 7.793,922 0.8,923 45,924 8.251,926 3.78,927 0.026,929 7.784,931 15.848,933 14.122,936 2.284,937 50.25,940 1,941 211.88,942 99.6,945 59.797,948 99.6,949 271.677,951 26.476,952 7.604,953 30.692,954 60.557,955 28.621,956 17.22,957 200.109,959 211.88,960 99.6,961 59.797,964 211.88,965 59.797,968 34.079,969 65.521,972 211.88,973 59.797,974 99.6,977 211.88,978 42.433,979 57.168,981 59.797,982 211.88,983 59.797,984 99.6,986 0.619,987 0.388,988 0.216,989 0.116,990 24,991 11,994 3,995 1.353,996 3.16,997 199.998,998 0.353,999 17,1000 96.107,1005 13.661,1006 4.269,1007 1.698,1009 59.797,1010 5.625,1013 5.602,1015 5.339,1018 371.277,1019 32.5,1024 25.22,1028 -0.799,1031 39.934,1032 44.365,1034 0.246,1035 0.611,1036 0.82,1037 0.858,1038 0.867,1039 0.867,1040 4.834,1041 1.168,1042 5.878,1043 3.954,1044 4.394,1045 4.871,1047 6.864,1048 4.414,1049 6.11,1050 0.959,1051 7.559,1052 2.941,1053 4.369,1054 4.966,1056 8.223,1057 4.399,1058 7.489,1059 0.399,1060 9.346,1061 2.408,1062 6.209,1063 7.159,1065 11.355,1066 6.242,1067 8.904,1068 -0.043,1069 11.195,1070 0.983,1071 6.957,1072 8.042,1074 13.464,1075 7.001,1076 10.352,1077 -0.221,1078 13.08,1079 -0.111,1080 8.366,1081 9.771,1083 16.192,1084 8.411,1085 11.822,1086 -0.638,1087 14.99,1088 -0.606,1089 9.415,1090 10.987,1092 18.574,1093 9.467,1094 13.308,1095 -0.688,1096 16.917,1097 -1.648,1098 10.694,1099 12.555,1101 21.182,1102 10.749,1103 3.522,1104 -1,1105 18.857,1106 -1.832,1107 11.856,1108 13.917,1110 23.668,1111 11.918,1112 3.309,1113 13.224,1114 20.806,1115 -3,1116 13.099,1117 15.427,1119 26.24,1120 13.165,1121 2.754,1122 12.183,1123 22.763,1124 4.504,1125 14.305,1126 16.855,1128 28.769,1129 14.377,1130 2.396,1131 9.92,1132 24.726,1133 4.042,1134 15.54,1135 18.347,1137 31.331,1138 15.617,1139 2.062,1140 7.944,1141 26.694,1142 3.406,1143 16.765,1144 19.806,1146 33.879,1147 16.847,1148 1.595,1149 6.742,1150 28.666,1151 3.096,1152 18.001,1153 21.294,1155 36.44,1156 18.088,1157 1.496,1158 4.653,1159 30.642,1160 2.549,1161 19.235,1162 22.768,1164 38.997,1165 19.327,1166 4023,1167 6266,1168 16.126,1169 27.216,1170 40.456,1171 42.038,1172 41.949,1173 39.385,1174 39.318,1175 49.964,1177 129.906,1178 39.771,1179 5.75,1180 5.921,1181 6.9,1182 5.526,1183 5.522,1184 7.504,1186 21.299,1187 5.54,1188 12.208,1189 1.618,1190 1.682,1191 1.678,1192 1.575,1193 1.573,1194 1.999,1196 5.196,1197 1.591,1198 4.132,1199 4.139,1200 4.103,1201 4.065,1202 7.497,1203 4.071,1204 3.884,1205 3.905,1206 3.819,1207 3.784,1208 7.352,1209 3.79,1210 3.549,1211 3.587,1212 3.454,1213 3.445,1214 5.046,1215 3.438,1216 3.367,1217 3.426,1218 3.296,1219 3.225,1220 4.631,1221 3.22,1222 3.306,1223 3.322,1224 3.129,1225 3.105,1226 4.162,1227 3.121,1228 3.02,1229 3.093,1230 2.811,1231 2.807,1232 3.879,1233 2.799,1234 2.874,1235 3.009,1236 2.676,1237 2.627,1238 3.852,1239 2.625,1240 2.821,1241 2.898,1242 2.528,1243 2.618,1244 3.497,1245 2.57,1246 0.192,1247 0.157,1248 0.298,1249 0.181,1250 0.141,1251 4.801,1252 0.18,1253 3.921,1255 7.456,1256 0.529,1257 4.526,1258 0.142,1259 3.522,1260 4.504,1262 13.224,1263 3.54,1264 2.057,1265 2.041,1266 2.159,1267 2.127,1268 1.483,1269 2.136,1270 1.75,1271 1.727,1272 1.881,1273 1.869,1274 1.095,1275 1.871,1276 1.554,1277 1.518,1278 1.76,1279 1.715,1280 0.934,1281 1.726,1282 1.382,1283 1.311,1284 1.691,1285 1.573,1286 0.882,1287 1.618,1288 1.257,1289 1.234,1290 1.417,1291 1.466,1292 0.489,1293 1.447,1294 1.037,1295 1.034,1296 1.405,1297 1.321,1298 0.469,1299 1.308,1300 0.934,1301 0.804,1302 1.249,1303 1.239,1304 0.426,1305 1.278,1306 0.837,1307 0.758,1308 1.191,1309 1.09,1310 0.175,1311 1.138,1312 3.932,1314 5.352,1315 2.398,1316 6.982,1317 4.727,1318 8.713,1319 6.843,1320 10.499,1322 6.212,1328 3.004,1334 0.047,1340 25.886,1341 52.353,1342 130.009,1343 174.612,1344 182.612,1345 184.612,1346 184.612,1347 43.36,1348 7.632,1349 47.28,1350 47.28,1351 23,1352 12.932,1353 3.807,1354 3.087,1355 29.615,1356 58,1357 52,1358 0.27,1359 154.948,1360 273.91,1361 369.834,1362 18983,1364 15.646,1365 0.711,1366 0.594,1367 15.646,1368 13.078,1369 10.416,1370 0.417,1371 0.31,1372 7.697,1373 10.167,1374 7.368,1375 6.109,1376 10.416,1377 7.755,1378 10.484,1379 0.262,1380 0.176,1381 10.484,1382 7.033,1383 9.379,1384 0.159,1385 0.087,1386 9.379,1387 5.151,1388 8.357,1389 0.098,1390 0.047,1391 8.357,1392 3.984,1393 6.808,1394 0.06,1395 0.025,1396 6.808,1397 2.805,1398 0.393,1399 64.556,1400 0.249,1401 20.52,1402 0.846,1403 130,1404 345.207,1405 137.75,1406 332.531,1407 460.01,1408 310,1409 164,1410 344.636,1411 173.08,1412 352.287,1413 529.25,1414 331,1415 4}
{0 CHEMBL187330,1 1.485,2 12.385,3 4.077,4 16.624,5 106.791,6 7.164,7 0.429,8 4.021,9 4.13,10 3.602,11 3.593,12 5.037,13 3.528,14 4.586,15 4.764,16 3.958,17 3.996,18 5.497,19 3.896,20 4.783,21 4.973,22 4.035,23 4.125,24 5.748,25 3.999,26 4.84,27 5.045,28 3.923,29 4.106,30 5.778,31 3.962,32 4.861,33 5.105,34 3.821,35 4.029,36 5.739,37 3.869,38 4.719,39 4.946,40 3.695,41 3.935,42 5.652,43 3.762,44 4.64,45 4.889,46 3.571,47 3.834,48 5.549,49 3.632,50 4.509,51 4.769,52 3.432,53 3.664,54 5.348,55 3.514,56 0.022,57 0.695,58 12.153,59 5.558,60 8.283,61 7.001,62 0.209,63 1.16,64 24.879,65 9.549,66 20.101,67 11.808,68 0.353,69 1.382,70 32.149,71 11.911,72 34.057,73 14.773,74 0.262,75 1.418,76 33.368,77 12.47,78 37.361,79 15.688,80 0.321,81 1.389,82 34.473,83 12.428,84 40.126,85 15.92,86 0.265,87 1.232,88 30.346,89 11.158,90 39.153,91 13.904,92 0.438,93 1.141,94 29.745,95 10.794,96 46.236,97 13.688,98 0.204,99 0.983,100 23.964,101 8.453,102 23.501,103 11.316,104 27,105 38,106 0.25,107 0.557,108 0.767,109 0.824,110 0.831,111 0.837,112 3.303,113 1.076,114 -4.1,115 -4.05,116 -3.83,121 40.4,122 1,123 4,126 2,127 1,129 1,144 4,145 2,146 3,147 2,158 1,176 7,180 3,187 9,189 3,191 1,192 6,200 7,203 2,206 5,214 5,216 1,219 6,227 8,229 1,239 9,243 2,244 2,246 1,251 6,256 2,264 5,266 2,269 3,279 1,281 1042,282 17.85,283 17.85,284 17.85,285 17.85,286 17.85,287 16.272,288 21.002,289 10.555,290 18.443,291 13.657,292 13.657,293 13.657,294 13.657,295 13.657,296 11.032,297 17.96,298 4.775,299 14.44,300 4.215,301 2.398,302 1.15,303 0.813,304 0.774,305 0.736,306 3.986,310 1,311 1,312 1,313 680,314 3.536,317 61.136,318 170.435,321 115.784,325 1.953,326 20.387,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 55.5,338 322,339 4.433,340 4.688,341 6.437,342 4.067,343 3.12,344 4.091,345 3.389,346 10.099,347 2.95,348 4.05,349 3.68,350 6.068,351 3.719,352 2.754,353 3.638,354 1.975,355 8.762,356 2.671,357 3.967,358 3.173,359 5.709,360 3.602,361 2.646,362 3.252,363 0.86,364 7.512,365 2.533,366 3.652,367 2.819,368 5.486,369 3.306,370 2.34,371 2.925,372 0.86,373 7.318,374 2.234,375 3.469,376 2.743,377 5.125,378 3.131,379 2.169,380 2.744,382 6.353,383 2.069,384 3.093,385 2.416,386 4.717,387 2.698,388 1.771,389 2.285,391 5.118,392 1.628,393 2.5,394 2.378,395 4.114,396 2.267,397 1.302,398 1.5,400 3.49,401 1.238,402 2.477,403 2.096,404 3.943,405 2.083,406 1.136,407 1.438,409 2.841,410 1.076,411 2.223,412 1.234,413 3.414,414 1.984,415 1.098,416 1.204,418 2.275,419 0.983,420 2.204,421 1.054,422 3.236,423 1.982,424 1,425 1.178,427 1.964,428 0.945,429 1.779,430 1.004,431 2.958,432 1.515,433 0.501,434 0.591,436 1.074,437 0.5,438 1.473,439 1,440 2.887,441 1.208,442 0.355,443 0.386,445 0.483,446 0.3,447 1.388,448 0.821,449 2.735,450 1.121,451 0.241,452 0.271,454 0.458,455 0.209,456 1.081,457 0.351,458 2.403,459 0.818,460 -0.171,461 -0.197,463 -0.308,464 -0.168,465 0.705,466 0.176,467 2.289,468 0.295,469 -0.66,470 -0.801,472 -1.413,473 -0.615,474 12.733,475 0.49,476 0.533,477 0.021,478 30,479 1.154,480 14,481 0.538,482 16,483 0.615,484 24.18,485 0.93,486 28.967,487 0.557,488 20.393,489 0.784,490 5.601,491 0.215,492 7.038,493 0.271,494 0.144,496 0.306,501 0.766,502 1.275,503 0.802,504 1.081,505 0.587,506 1.04,507 1.182,508 0.926,509 0.971,510 0.88,511 0.75,512 0.862,513 0.949,514 1.061,515 1.107,516 1.113,517 1.171,518 1.034,519 1.036,520 1.152,521 1.123,522 1.195,523 1.318,524 1.149,525 1.05,526 0.973,527 0.961,528 0.995,529 0.858,530 0.98,531 1.135,532 1.049,533 1.174,534 1.104,535 1.544,536 1.084,537 0.451,538 1.021,539 1.168,540 1.159,541 0.804,542 1.045,543 0.857,544 0.948,545 0.862,546 0.929,547 0.78,548 0.881,549 5.5,550 0.134,551 2.889,552 1.417,553 1.592,554 0.903,555 0.521,556 0.334,557 0.184,558 0.136,559 8393,560 19484,561 2.037,562 50,563 5,564 13,566 2,568 2,569 4,572 1.685,573 1.902,574 3.585,575 -0.798,577 1,582 77.218,583 1.485,584 3.302,585 4.551,586 4.888,587 4.926,588 4.965,589 3.094,590 3.902,591 4.668,592 3.738,593 1214.9,594 8.061,595 15727.3,597 1,599 1,600 296.423,601 1.42,602 4.628,603 0.196,604 0.007,605 0.076,606 0.036,607 0.047,608 0.03,609 0.02,610 0.015,611 0.008,612 0.007,613 0.443,614 0.33,615 1,616 1.137,617 129.715,618 0.013,619 -0.132,620 0.082,621 -0.03,622 0.011,623 -0.005,624 -0.121,625 0.164,626 0.074,627 0.174,628 -0.036,629 0.133,630 0.054,632 -0.016,633 -0.032,634 -0.036,635 -0.03,636 -0.058,637 -0.137,638 -0.102,639 -0.163,640 -0.103,641 -0.153,642 -0.038,643 -0.015,644 0.027,645 -0.015,646 0.036,648 -0.11,649 -0.057,650 -0.098,651 -0.06,652 -0.092,653 -0.092,654 0.337,655 -0.036,656 -0.018,657 -0.06,658 0.251,659 -0.028,660 0.013,661 0.002,662 0.085,663 0.025,664 0.088,665 0.101,666 1.352,667 5.677,668 0.577,669 26.71,670 0.994,671 1.12,672 2.871,673 8.245,674 0.664,675 3.367,676 3.664,677 3.932,678 4.159,679 4.382,680 4.454,681 4.533,682 4.625,683 4.543,684 4.454,685 7.069,686 0.614,687 372.55,688 3.367,689 4.89,690 5.733,691 6.6,692 7.465,693 8.338,694 9.211,695 10.089,696 10.967,697 11.848,698 1.9,708 1,715 6,720 5,721 1,722 12,739 2,741 52,743 13,744 1,745 28,747 54,748 21,749 11,750 4,751 2,756 3,757 4,763 1,767 2,770 5,772 12,773 9,777 1,782 1,786 1,790 1,793 26,794 3,796 5,797 1,802 1,803 1,808 0.667,809 3,822 1,828 1,829 2,832 1,841 1,859 2,860 1,862 1,864 3,868 26,876 5,878 2,879 1,880 1,893 5.8,896 1,898 2,901 13.667,902 10.25,903 6,904 3.319,907 2.173,908 1.301,909 0.946,910 6.601,911 9.387,912 3.584,913 4.127,914 4.649,915 5.134,916 5.663,917 5.792,918 5.949,919 6.158,920 6.171,921 6.089,922 1,923 39,924 9.655,926 3.983,927 0.026,929 7.603,931 18.853,933 15.338,936 2.103,937 54.667,939 1,940 1,941 306.049,942 154.597,943 1.899,945 47.145,947 32.22,948 122.377,949 353.193,950 1.899,951 30.591,952 12.244,953 37.905,954 55.72,955 58.503,957 314.726,959 306.049,960 124.276,961 47.145,962 32.22,964 258.964,965 94.229,968 39.164,969 83.213,970 1.899,971 32.22,972 306.049,973 49.044,974 154.597,977 306.049,978 68.006,979 88.49,981 47.145,982 306.049,983 49.044,984 154.597,986 0.566,987 0.342,988 0.183,989 0.101,990 17,991 8,992 0.148,993 8,994 1,995 1.133,996 3.851,997 207.26,998 0.133,999 15,1000 118.211,1001 1,1005 19.248,1006 8.917,1007 4.619,1009 47.145,1010 12.419,1015 4.961,1016 2.176,1018 509.689,1019 35,1024 12.677,1028 0.314,1031 51.705,1032 58.237,1034 0.26,1035 0.579,1036 0.798,1037 0.857,1038 0.864,1039 0.871,1040 4.812,1041 1.136,1042 5.707,1043 3.49,1044 4.344,1045 4.812,1046 3.491,1047 6.497,1048 4.243,1049 5.993,1050 1.098,1051 7.255,1052 2.841,1053 3.892,1054 4.605,1055 2.036,1056 7.345,1057 3.751,1058 7.289,1059 1,1060 8.898,1061 2.275,1062 5.922,1063 6.939,1064 5.624,1065 10.402,1066 5.734,1067 8.621,1068 0.501,1069 10.595,1070 1.964,1071 6.293,1072 7.519,1073 4.168,1074 12.045,1075 6.05,1076 9.983,1077 0.355,1078 12.326,1079 1.074,1080 7.768,1081 9.344,1082 7.986,1083 14.606,1084 7.491,1085 11.364,1086 0.241,1087 14.08,1088 0.483,1089 8.517,1090 10.283,1091 6.596,1092 16.59,1093 8.174,1094 12.76,1095 -0.171,1096 15.849,1097 0.458,1098 9.768,1099 11.896,1100 10.393,1101 18.978,1102 9.393,1103 3.12,1104 -0.66,1105 17.63,1106 -0.308,1107 10.701,1108 13.026,1109 9.16,1110 21.123,1111 10.257,1112 2.754,1113 10.099,1114 19.421,1115 -1.413,1116 11.861,1117 14.536,1118 12.812,1119 23.447,1120 11.379,1121 2.646,1122 8.762,1123 21.219,1124 4.091,1125 12.885,1126 15.776,1127 11.751,1128 25.669,1129 12.335,1130 2.34,1131 7.512,1132 23.024,1133 3.638,1134 14.011,1135 17.231,1136 15.235,1137 27.973,1138 13.416,1139 2.169,1140 7.318,1141 24.834,1142 3.252,1143 15.081,1144 18.536,1145 14.332,1146 30.234,1147 14.422,1148 1.771,1149 6.353,1150 26.649,1151 2.925,1152 16.197,1153 19.964,1154 17.659,1155 32.533,1156 15.487,1157 1.302,1158 5.118,1159 28.468,1160 2.744,1161 17.292,1162 21.307,1163 16.895,1164 34.814,1165 16.519,1166 8262,1167 12766,1168 18.493,1169 34.534,1170 40.915,1171 44.414,1172 43.085,1173 40.756,1174 40.864,1175 51.002,1176 14.168,1177 115.492,1178 38.668,1179 5.371,1180 6.688,1181 6.207,1182 5.184,1183 5.12,1184 7.091,1185 6.716,1186 16.854,1187 4.95,1188 13.55,1189 1.461,1190 1.586,1191 1.539,1192 1.456,1193 1.459,1194 1.822,1195 0.506,1196 4.125,1197 1.381,1198 4.022,1199 4.053,1200 4.137,1201 3.978,1202 7.426,1203 3.951,1204 3.954,1205 3.981,1206 3.904,1207 3.85,1208 4.922,1209 3.853,1210 3.66,1211 3.699,1212 3.626,1213 3.515,1214 4.776,1215 3.516,1216 3.521,1217 3.576,1218 3.409,1219 3.389,1220 4.495,1221 3.369,1222 3.345,1223 3.403,1224 3.257,1225 3.173,1226 4.334,1227 3.159,1228 3.247,1229 3.313,1230 3.067,1231 2.958,1232 4.11,1233 2.962,1234 3.107,1235 3.185,1236 2.931,1237 2.881,1238 3.868,1239 2.878,1240 2.94,1241 3.026,1242 2.864,1243 2.753,1244 3.674,1245 2.729,1246 0.158,1247 0.167,1248 0.23,1249 0.145,1250 0.111,1251 4.433,1252 0.146,1253 4.688,1254 0.121,1255 6.437,1256 0.361,1257 4.067,1258 0.105,1259 3.12,1260 4.091,1261 3.389,1262 10.099,1263 2.95,1264 1.939,1265 1.896,1266 2.075,1267 2.088,1268 1.292,1269 2.087,1270 1.868,1271 1.859,1272 1.953,1273 1.965,1274 1.204,1275 1.96,1276 1.663,1277 1.625,1278 1.888,1279 1.83,1280 1.135,1281 1.851,1282 1.538,1283 1.481,1284 1.743,1285 1.705,1286 0.973,1287 1.734,1288 1.292,1289 1.227,1290 1.592,1291 1.533,1292 0.799,1293 1.554,1294 1.194,1295 1.132,1296 1.574,1297 1.515,1298 0.577,1299 1.535,1300 1.175,1301 1.1,1302 1.481,1303 1.405,1304 0.574,1305 1.453,1306 0.946,1307 0.862,1308 1.314,1309 1.197,1310 0.476,1311 1.24,1312 4.043,1314 5.342,1315 2.398,1316 6.838,1317 4.727,1318 8.424,1319 6.843,1320 10.057,1322 5.442,1328 4.3,1330 10.733,1331 1.648,1332 -0.004,1340 31.938,1341 77.218,1342 171.72,1343 236.648,1344 254.158,1345 256.158,1346 258.158,1347 48.304,1348 7.214,1349 39.41,1350 64.71,1351 17,1352 12.384,1353 3.807,1354 3,1355 44.692,1356 110,1357 126,1358 0.199,1359 200.915,1360 351.7,1361 481.993,1362 13010,1364 18.518,1365 0.712,1366 0.636,1367 18.872,1368 16.526,1369 12.639,1370 0.451,1371 0.359,1372 9.112,1373 11.706,1374 8.724,1375 7.291,1376 13.047,1377 10.043,1378 10.79,1379 0.284,1380 0.208,1381 11.432,1382 7.903,1383 9.302,1384 0.186,1385 0.123,1386 10.14,1387 6.17,1388 7.415,1389 0.118,1390 0.073,1391 8.287,1392 4.623,1393 6.016,1394 0.076,1395 0.041,1396 6.827,1397 3.23,1398 0.32,1399 83.336,1400 0.233,1401 25.574,1402 0.522,1403 132,1404 362.4,1405 167.565,1406 362.205,1407 491.42,1408 342,1409 154,1410 335.381,1411 188.52,1412 355.177,1413 517.22,1414 332,1415 5.59}
{0 CHEMBL187370,1 1.52,2 8.741,3 2.596,4 6.737,5 104.572,6 8.259,7 0.4,8 3.92,9 3.997,10 3.556,11 3.48,12 5.188,13 3.491,14 4.382,15 4.501,16 3.962,17 3.876,18 5.624,19 3.886,20 4.648,21 4.753,22 4.115,23 4.058,24 6.052,25 4.052,26 4.77,27 4.934,28 4.02,29 4.093,30 5.971,31 4.041,32 4.738,33 4.918,34 4.012,35 4.087,36 5.896,37 4.023,38 4.709,39 4.884,40 3.969,41 3.981,42 5.928,43 3.942,44 4.608,45 4.762,46 3.846,47 3.767,48 5.975,49 3.762,50 4.491,51 4.66,52 3.644,53 3.535,54 5.972,55 3.528,56 0.139,57 0.561,58 7.511,59 4.075,60 18.727,61 4.25,62 0.211,63 0.915,64 13.241,65 6.409,66 17.778,67 7.187,68 0.51,69 1.124,70 17.771,71 8.581,72 73.712,73 9.221,74 0.634,75 1.266,76 23.485,77 10.212,78 73.963,79 12.052,80 0.468,81 1.242,82 22.65,83 10.428,84 49.343,85 13.199,86 0.366,87 1.188,88 22.269,89 9.747,90 39.432,91 11.765,92 0.461,93 1.045,94 20.271,95 8.093,96 59.28,97 8.842,98 0.717,99 0.924,100 19.635,101 6.743,102 110.44,103 7.415,104 38,105 45,106 0.261,107 0.627,108 0.75,109 0.821,110 0.829,111 0.837,112 3.342,113 0.828,114 -2.58,115 -2.6,116 -2.54,121 47.7,126 2,137 2,138 2,140 2,144 6,145 2,146 4,158 1,176 9,180 7,185 3,187 13,192 6,195 1,196 1,197 5,200 16,205 1,206 3,209 1,211 3,214 14,219 4,222 2,224 5,227 10,232 7,237 9,239 4,244 5,249 9,255 1,256 4,259 1,260 1,261 2,272 3,273 1,281 1147,282 17.74,283 17.74,284 17.74,285 17.74,286 17.74,287 15.532,288 18.183,289 9.966,290 18.026,291 14.756,292 14.756,293 14.756,294 14.756,295 14.756,296 11.263,297 22.383,298 4.718,299 15.261,300 3.939,301 1.802,302 1.086,303 0.671,304 0.625,305 0.58,306 4.033,310 1,311 1,312 1,313 507,314 2.915,318 226.751,322 181.462,325 1.251,326 37.677,328 1,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 59.5,338 236,339 4.702,340 3.594,341 7.012,342 4.313,343 3.331,344 4.353,345 0.86,346 12.033,347 3.274,348 4.251,349 3.378,350 6.177,351 3.836,352 2.854,353 3.847,354 0.8,355 9.082,356 2.807,357 4.133,358 3,359 5.995,360 3.753,361 2.789,362 3.658,364 8.484,365 2.688,366 3.93,367 2.943,368 5.896,369 3.578,370 2.611,371 3.302,373 8.072,374 2.512,375 3.621,376 2.643,377 5.619,378 3.252,379 2.311,380 2.911,382 7.212,383 2.173,384 3.494,385 2.419,386 5.614,387 3.106,388 2.133,389 2.729,391 6.987,392 2.062,393 3.256,394 2.133,395 4.911,396 2.792,397 1.828,398 2.441,400 5.415,401 1.748,402 2.997,403 1.93,404 4.464,405 2.51,406 1.532,407 2.122,409 4.351,410 1.488,411 2.609,412 1.656,413 4.04,414 2.237,415 1.279,416 1.553,418 3.186,419 1.218,420 2.5,421 1.333,422 3.743,423 2,424 1,425 1.5,427 2.628,428 1,429 2.368,430 1,431 3.414,432 1.948,433 1,434 1.27,436 2.275,437 0.937,438 1.757,439 0.916,440 3.212,441 1.293,442 0.347,443 0.436,445 0.878,446 0.321,447 1.322,448 0.344,449 3.191,450 1.068,451 0.121,452 0.14,454 0.344,455 0.114,456 1.091,457 0.28,458 2.645,459 0.666,460 -0.291,461 -0.378,463 -0.748,464 -0.271,465 0.824,466 -0.148,467 2.635,468 0.411,469 -0.554,470 -0.698,472 -1.361,473 -0.53,474 12.567,475 0.465,476 0.912,477 0.034,478 37.25,479 1.38,480 20,481 0.741,482 17.25,483 0.639,484 20.196,485 0.748,486 28.233,487 0.642,488 31.208,489 1.156,490 7.674,491 0.284,492 5.172,493 0.192,494 0.186,496 0.469,501 0.919,502 1.029,503 0.744,504 0.885,505 0.891,506 0.794,507 0.79,508 0.883,509 0.653,510 0.828,511 0.569,512 0.712,513 0.93,514 1.053,515 0.937,516 1.055,517 0.763,518 1.009,519 0.803,520 0.905,521 0.971,522 0.954,523 0.805,524 0.995,525 0.442,526 0.974,527 0.76,528 1.025,529 0.471,530 0.989,531 0.827,532 1.106,533 0.849,534 1.112,535 0.706,536 1.017,537 1.341,538 1.269,539 1.09,540 1.202,541 1.366,542 1.11,543 1.381,544 1.1,545 1.179,546 1.019,547 1.577,548 1.039,549 6.5,550 0.115,551 4,552 2.188,553 2.387,554 1.222,555 1.128,556 0.675,557 0.423,558 0.254,559 7536,560 23526,561 2.053,562 38.6,564 14,567 3,572 1.71,573 1.862,574 3.106,575 0.908,576 1,577 1,582 66.88,583 1.52,584 3.658,585 4.374,586 4.789,587 4.834,588 4.88,589 2.509,590 3.838,591 4.722,592 3.266,593 1146.36,594 8.25,595 13974.9,597 1,599 1,600 240.215,601 1.53,602 4.656,603 0.217,604 0.012,605 0.089,606 0.044,607 0.053,608 0.027,609 0.027,610 0.019,611 0.016,612 0.014,613 0.517,614 0.5,615 1,616 0.834,617 129.862,618 -0.133,619 0.019,620 -0.009,621 0.094,622 -0.176,623 0.077,624 -0.063,625 0.193,626 0.143,627 0.138,628 0.03,629 0.194,630 0.018,631 -0.05,632 -0.101,633 -0.078,634 0.101,635 -0.11,636 0.037,637 0.067,638 -0.046,639 0.041,640 -0.04,641 -0.008,642 0.195,643 -0.019,644 0.153,645 -0.009,646 0.099,647 0.047,648 -0.01,649 -0.152,650 0.099,651 -0.115,652 0.045,653 -0.009,654 -0.174,655 -0.303,656 -0.098,657 -0.242,658 -0.113,659 -0.172,660 -0.025,661 -0.105,662 -0.11,663 -0.086,664 -0.019,665 -0.116,666 2.22,667 4.853,668 0.741,669 22.165,670 1.018,671 1.111,672 1.353,673 1.83,674 0.69,675 3.434,676 3.829,677 4.143,678 4.443,679 4.812,680 5.004,681 5.22,682 5.407,683 5.525,684 5.525,685 5.444,686 0.677,687 363.39,688 3.434,689 5.017,690 5.9,691 6.812,692 7.72,693 8.639,694 9.557,695 10.481,696 11.405,697 12.332,698 2.3,704 1,715 6,720 6,722 12,736 1,738 2,739 1,741 44,743 16,744 2,745 30,747 47,748 21,749 12,750 6,751 6,752 7,756 4,757 7,772 19,773 2,777 4,782 1,784 2,786 5,789 1,790 1,793 17,794 6,795 3,796 6,802 1,808 0.5,809 5,829 4,833 2,841 1,849 4,850 2,857 1,859 2,864 2,868 27,875 3,878 1,881 1,893 11.4,895 3,896 1,898 1,901 14.5,902 8.55,903 5.722,904 2.385,907 3.346,908 1.426,909 0.946,910 4.153,911 11.191,912 3.714,913 4.369,914 4.994,915 5.592,916 6.25,917 6.671,918 7.163,919 7.634,920 8.033,921 8.298,922 0.833,923 50,924 10.006,926 4.476,927 0.026,929 8.049,931 18.436,933 15.39,936 2.549,937 68.833,940 1,941 164.795,942 123.722,943 3.124,945 164.195,948 123.722,949 328.99,950 3.124,951 16.793,953 75.81,954 163.572,955 34.867,957 164.795,959 164.795,960 126.846,961 164.195,964 164.795,965 164.195,969 102.651,970 24.196,972 164.795,973 167.319,974 123.722,977 164.795,978 31.119,979 95.727,981 164.195,982 164.795,983 167.319,984 123.722,986 0.605,987 0.359,988 0.182,989 0.113,990 24,991 12,992 0.043,993 2,994 2,995 1.2,996 3.637,997 251.624,998 0.2,999 20,1000 122.382,1005 17.551,1006 6.389,1007 2.958,1009 167.319,1010 10.424,1015 2.087,1017 128.05,1018 455.837,1019 40,1024 11.853,1026 2.575,1028 0.556,1031 44.807,1032 48.867,1034 0.278,1035 0.67,1036 0.801,1037 0.877,1038 0.885,1039 0.894,1040 4.997,1041 1.532,1042 5.932,1043 5.415,1044 4.511,1045 5.056,1046 1.235,1047 6.81,1048 4.449,1049 6.253,1050 1.279,1051 7.542,1052 4.351,1053 4.29,1054 4.997,1055 0.325,1056 7.823,1057 4.189,1058 7.598,1059 1,1060 9.246,1061 3.186,1062 6.18,1063 7.293,1064 0.938,1065 10.951,1066 6.072,1067 8.974,1068 1,1069 11.003,1070 2.628,1071 6.711,1072 7.978,1073 0.268,1074 12.763,1075 6.569,1076 10.378,1077 0.347,1078 12.793,1079 2.275,1080 8.132,1081 9.795,1082 0.732,1083 15.446,1084 7.985,1085 11.802,1086 0.121,1087 14.605,1088 0.878,1089 9,1090 10.837,1091 0.188,1092 17.626,1093 8.828,1094 13.242,1095 -0.291,1096 16.435,1097 0.344,1098 10.25,1099 12.45,1100 0.57,1101 20.163,1102 10.07,1103 3.331,1104 -0.554,1105 18.279,1106 -0.748,1107 11.278,1108 13.681,1109 0.125,1110 22.514,1111 11.078,1112 2.854,1113 12.033,1114 20.135,1115 -1.361,1116 12.468,1117 15.2,1118 0.438,1119 25.007,1120 12.257,1121 2.789,1122 9.082,1123 22.001,1124 4.353,1125 13.573,1126 16.532,1127 0.082,1128 27.435,1129 13.346,1130 2.611,1131 8.484,1132 23.876,1133 3.847,1134 14.747,1135 18.01,1136 0.334,1137 29.918,1138 14.507,1139 2.311,1140 8.072,1141 25.76,1142 3.658,1143 15.891,1144 19.398,1145 0.054,1146 32.379,1147 15.636,1148 2.133,1149 7.212,1150 27.651,1151 3.302,1152 17.065,1153 20.859,1154 0.252,1155 34.861,1156 16.797,1157 1.828,1158 6.987,1159 29.549,1160 2.911,1161 18.23,1162 22.278,1163 0.035,1164 37.336,1165 17.947,1166 7348,1167 13138,1168 19.422,1169 30.369,1170 47.233,1171 47.77,1172 48.577,1173 46.33,1174 46.272,1175 60.523,1176 3.32,1177 141.893,1178 44.681,1179 5.578,1180 5.594,1181 6.426,1182 5.408,1183 5.331,1184 7.353,1185 1.72,1186 19.582,1187 5.274,1188 16.314,1189 1.574,1190 1.592,1191 1.619,1192 1.544,1193 1.542,1194 2.017,1195 0.111,1196 4.73,1197 1.489,1198 4.082,1199 4.09,1200 4.054,1201 4.02,1202 7.43,1203 4.026,1204 3.861,1205 3.89,1206 3.805,1207 3.774,1208 6.53,1209 3.778,1210 3.756,1211 3.76,1212 3.721,1213 3.659,1214 6.461,1215 3.671,1216 3.452,1217 3.532,1218 3.325,1219 3.247,1220 6.402,1221 3.256,1222 3.187,1223 3.182,1224 3.129,1225 3.008,1226 4.886,1227 3.025,1228 3.088,1229 3.109,1230 3.002,1231 2.923,1232 4.7,1233 2.941,1234 2.893,1235 3.009,1236 2.784,1237 2.735,1238 4.212,1239 2.718,1240 2.874,1241 2.925,1242 2.687,1243 2.711,1244 4.194,1245 2.715,1246 0.157,1247 0.12,1248 0.234,1249 0.144,1250 0.111,1251 4.702,1252 0.145,1253 3.594,1254 0.029,1255 7.012,1256 0.401,1257 4.313,1258 0.109,1259 3.331,1260 4.353,1261 0.86,1262 12.033,1263 3.274,1264 2.028,1265 2.02,1266 2.087,1267 2.105,1268 1.253,1269 2.097,1270 1.838,1271 1.814,1272 1.94,1273 1.958,1274 1.048,1275 1.955,1276 1.708,1277 1.701,1278 1.785,1279 1.833,1280 0.881,1281 1.813,1282 1.418,1283 1.336,1284 1.706,1285 1.66,1286 0.771,1287 1.68,1288 1.094,1289 1.081,1290 1.417,1291 1.308,1292 0.469,1293 1.308,1294 1.024,1295 1.004,1296 1.222,1297 1.239,1298 0.326,1299 1.253,1300 0.934,1301 0.821,1302 1.181,1303 1.223,1304 0.218,1305 1.218,1306 0.886,1307 0.804,1308 1.176,1309 1.092,1310 0.214,1311 1.107,1312 4.111,1314 5.485,1316 7.06,1318 8.732,1320 10.458,1322 3.881,1327 29.734,1330 5.751,1333 1.972,1340 29.81,1341 66.88,1342 160.931,1343 192.441,1344 210.705,1345 212.705,1346 214.705,1347 57.946,1348 7.846,1349 94.14,1350 94.14,1351 24,1352 12.837,1353 4.087,1354 3.459,1355 39.801,1356 83,1357 100,1358 0.231,1359 180.138,1360 329.17,1361 431.296,1362 25482,1364 19.292,1365 0.715,1366 0.545,1367 19.292,1368 14.724,1369 12.846,1370 0.428,1371 0.276,1372 8.157,1373 12.344,1374 7.914,1375 6.564,1376 12.846,1377 8.282,1378 12.432,1379 0.276,1380 0.146,1381 12.432,1382 6.572,1383 10.689,1384 0.172,1385 0.074,1386 10.689,1387 4.569,1388 8.564,1389 0.102,1390 0.038,1391 8.564,1392 3.168,1393 7.74,1394 0.063,1395 0.019,1396 7.74,1397 2.311,1398 0.345,1399 80.947,1400 0.227,1401 25.057,1402 0.689,1403 150,1404 473.565,1405 164.371,1406 455.94,1407 618.52,1408 422,1409 182,1410 458.113,1411 197.01,1412 465.109,1413 683.88,1414 436,1415 4.658}
{0 CHEMBL187385,1 1.527,2 7.9,3 1.947,4 3.789,5 75.769,6 6.909,7 0.273,8 3.794,9 3.912,10 3.303,11 3.253,12 4.801,13 3.241,14 4.391,15 4.576,16 3.676,17 3.667,18 5.4,19 3.63,20 4.639,21 4.85,22 3.737,23 3.826,24 5.543,25 3.756,26 4.701,27 4.927,28 3.697,29 3.784,30 5.655,31 3.714,32 4.579,33 4.784,34 3.52,35 3.664,36 5.643,37 3.578,38 4.434,39 4.674,40 3.297,41 3.49,42 5.351,43 3.382,44 4.281,45 4.516,46 2.989,47 3.265,48 5.26,49 3.148,50 4.07,51 4.334,52 2.805,53 3.085,54 4.962,55 2.946,56 0.022,57 0.57,58 9.281,59 3.728,60 5.485,61 5.102,62 0.375,63 0.919,64 18.41,65 6.083,66 31.276,67 8.734,68 0.336,69 1.093,70 23.875,71 8.145,72 29.059,73 11.586,74 0.4,75 1.072,76 26.162,77 8.284,78 38.864,79 11.743,80 0.576,81 0.941,82 23.364,83 7.274,84 53.411,85 10.138,86 0.233,87 0.818,88 19.845,89 6.396,90 27.9,91 9.302,92 0.431,93 0.666,94 17.689,95 5.016,96 39.394,97 7.17,98 0.171,99 0.564,100 13.834,101 4.236,102 19.893,103 6.463,104 14,105 31,106 0.276,107 0.613,108 0.845,109 0.884,110 0.884,111 0.884,112 3.059,113 0.971,114 -2.69,115 -2.71,116 -2.63,121 37.5,122 1,123 1,124 1,126 1,127 3,129 1,144 3,145 1,146 2,161 1,176 4,179 1,180 6,183 2,185 1,187 3,191 1,192 6,200 3,205 1,206 6,211 1,214 2,218 2,219 4,222 1,224 2,227 2,232 2,237 1,239 2,243 1,244 2,247 1,249 1,251 2,256 1,261 1,264 1,269 1,277 1,281 456,282 13.646,283 13.646,284 13.646,285 13.646,286 13.646,287 12.764,288 20.454,289 8.085,290 14.06,291 10.825,292 10.825,293 10.825,294 10.825,295 10.825,296 9.407,297 26.207,298 3.73,299 11.439,300 3.795,301 1.938,302 0.657,303 0.438,304 0.438,305 0.438,306 3.738,310 1,311 1,312 1,313 339,314 3,317 33.89,318 73.536,321 56.278,322 63.28,325 1.22,326 18.961,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 44,338 158,339 4.496,340 3.696,341 6.945,342 4.24,343 3.277,344 4.082,345 2.186,346 11.722,347 3.158,348 3.948,349 3.537,350 6.238,351 3.716,352 2.774,353 3.104,354 0.916,355 9.242,356 2.608,357 3.6,358 2.978,359 5.282,360 3.259,361 2.309,362 2.762,363 0.86,364 6.501,365 2.17,366 3.139,367 2.264,368 4.992,369 2.882,370 1.93,371 2.294,372 0.366,373 5.617,374 1.835,375 2.976,376 2.168,377 4.823,378 2.755,379 1.806,380 2.108,381 0.172,382 5.111,383 1.699,384 2.81,385 1.803,386 4.223,387 2.447,388 1.487,389 1.844,391 3.716,392 1.422,393 2.168,394 1.511,395 3.763,396 2.042,397 1.107,398 1.153,400 2.635,401 1.027,402 2.08,403 1.323,404 3.324,405 1.903,406 0.935,407 1.022,409 1.863,410 0.898,411 1.848,412 0.98,413 3.106,414 1.71,415 0.776,416 0.817,418 1.608,419 0.718,420 1.252,421 0.708,422 2.598,423 0.908,424 -0.019,425 -0.022,427 -0.046,428 -0.017,429 0.776,430 0.116,431 2.48,432 0.525,433 -0.417,434 -0.445,436 -0.872,437 -0.39,438 0.705,439 -0.087,440 2.295,441 0.44,442 -0.527,443 -0.576,445 -1.034,446 -0.493,447 0.588,448 -0.222,449 2.128,450 0.349,451 -0.646,452 -0.801,454 -1.628,455 -0.641,456 0.38,457 -0.585,458 2,459 0.027,460 -0.952,461 -1.127,463 -2.375,464 -0.929,465 -0.038,466 -0.851,467 1.659,468 -0.195,469 -1.143,470 -1.379,472 -3.137,473 -1.081,474 9.3,475 0.465,476 0.469,477 0.023,478 22,479 1.1,480 8.5,481 0.425,482 13.5,483 0.675,484 17.031,485 0.852,486 23.1,487 0.578,488 14.76,489 0.738,490 4.234,491 0.212,492 5.469,493 0.273,494 0.143,496 0.366,501 0.819,502 1.535,503 0.831,504 1.307,505 0.602,506 1.099,507 0.841,508 0.996,509 0.891,510 0.939,511 0.486,512 0.912,513 0.914,514 1.087,515 0.93,516 1.08,517 0.7,518 1.013,519 1.226,520 1.003,521 0.956,522 0.988,523 0.995,524 0.937,525 1.366,526 0.989,527 1.193,528 1.017,529 1.44,530 1.079,531 1.048,532 1.17,533 1.01,534 1.151,535 1.024,536 1.089,537 1.592,538 0.845,539 1.336,540 0.921,541 1.797,542 1.067,543 0.916,544 1.182,545 1.013,546 1.11,547 1.174,548 1.085,549 3.5,550 0.02,551 2.444,552 1.66,553 1.098,554 0.583,555 0.342,556 0.261,557 0.14,558 0.06,559 3429,560 8121,561 2.077,562 50,564 13,567 1,569 5,570 1,572 1.622,573 1.935,574 2.958,575 -0.271,577 1,579 1,582 61.08,583 1.527,584 3.384,585 4.665,586 4.884,587 4.884,588 4.884,589 2.466,590 4.022,591 4.29,592 3.085,593 586.105,594 7.351,595 5792.93,596 1,597 1,599 1,600 212.877,601 1.441,602 4.248,603 0.159,604 0.007,605 0.079,606 0.052,607 0.037,608 0.024,609 0.018,610 0.02,611 0.013,612 0.012,613 0.42,614 0.83,615 1,616 1.491,617 86.908,618 -0.03,619 -0.248,620 0.074,621 -0.127,622 -0.018,623 -0.023,624 0.148,625 0.161,626 0.075,627 0.094,628 0.189,629 0.079,630 0.032,631 -0.041,632 0.029,633 -0.05,634 0.028,635 -0.011,636 -0.072,637 -0.04,638 0.042,639 -0.006,640 -0.003,641 0.033,642 -0.033,643 -0.015,644 -0.176,645 -0.035,646 -0.07,647 -0.126,648 -0.072,649 -0.219,650 -0.039,651 -0.168,652 -0.058,653 -0.108,654 -0.225,655 0.093,656 -0.3,657 -0.009,658 -0.283,659 -0.155,660 -0.06,661 -0.244,662 -0.051,663 -0.16,664 -0.022,665 -0.115,666 2.105,667 4.591,668 0.65,669 13.64,670 1.003,671 1.134,672 1.463,673 2.14,674 0.631,675 3.135,676 3.466,677 3.784,678 4.111,679 4.317,680 4.419,681 4.564,682 4.71,683 4.673,684 4.554,685 4.726,686 0.598,687 276.37,688 3.135,689 4.673,690 5.541,691 6.441,692 7.334,693 8.244,694 9.146,695 10.061,696 10.968,697 11.885,698 5,701 1,705 1,715 3,720 3,722 6,737 1,739 1,741 40,743 7,744 1,745 22,747 42,748 15,749 6,750 3,751 3,756 3,757 6,763 1,767 2,768 1,770 2,772 7,773 8,774 1,777 1,782 1,786 1,789 1,790 1,793 20,794 5,795 1,796 5,802 2,808 0.333,809 3,825 1,828 1,829 2,832 1,833 1,855 1,859 1,864 2,868 20,876 4,877 1,878 2,880 2,881 1,893 7.5,896 1,898 2,901 10.333,902 7.617,903 4.472,904 2.596,907 1.37,908 1.199,909 0.944,910 3.853,911 8.272,912 3.296,913 3.795,914 4.287,915 4.823,916 5.282,917 5.482,918 5.769,919 6.067,920 6.141,921 6.114,922 1,923 32,924 7.429,926 3.151,927 0.026,929 7.692,931 14.419,933 12.042,936 2.192,937 43.833,938 0.001,941 223.651,942 77.424,943 21.135,945 47.145,948 77.424,949 270.796,950 21.135,951 17.222,952 29.349,953 28.429,954 25.145,955 38.797,956 6.763,957 223.651,959 223.651,960 98.559,961 47.145,964 153.024,965 117.771,968 41.299,969 57.26,972 223.651,973 68.28,974 77.424,977 223.651,978 31.773,979 48.775,980 18.011,981 47.145,982 223.651,983 68.28,984 77.424,986 0.575,987 0.345,988 0.201,989 0.104,990 16,991 7,992 0.071,993 3,994 2,995 1.308,996 3.173,997 155.409,998 0.308,999 13,1000 86.439,1005 13.711,1006 5.621,1007 2.532,1009 68.28,1010 5.771,1015 2.351,1017 18.011,1018 369.354,1019 26,1024 11.591,1028 -0.439,1031 40.138,1032 45.362,1034 0.287,1035 0.636,1036 0.877,1037 0.918,1038 0.918,1039 0.918,1040 4.559,1041 0.935,1042 5.533,1043 2.635,1044 4.143,1045 4.477,1046 2.527,1047 6.392,1048 4.039,1049 5.721,1050 0.776,1051 7.117,1052 1.863,1053 3.761,1054 4.27,1055 1.847,1056 7.405,1057 3.626,1058 7.018,1059 -0.019,1060 8.807,1061 1.608,1062 5.765,1063 6.515,1064 3.551,1065 10.562,1066 5.568,1067 8.349,1068 -0.417,1069 10.561,1070 -0.046,1071 6.236,1072 7.142,1073 3.603,1074 12.447,1075 6.01,1076 9.717,1077 -0.527,1078 12.357,1079 -0.872,1080 7.712,1081 8.908,1082 4.916,1083 15.127,1084 7.438,1085 11.11,1086 -0.646,1087 14.183,1088 -1.034,1089 8.577,1090 9.924,1091 5.291,1092 17.356,1093 8.272,1094 12.523,1095 -0.952,1096 16.03,1097 -1.628,1098 9.852,1099 11.5,1100 6.389,1101 19.882,1102 9.508,1103 3.277,1104 -1.143,1105 17.895,1106 -2.375,1107 10.893,1108 12.706,1109 6.93,1110 22.245,1111 10.516,1112 2.774,1113 11.722,1114 19.772,1115 -3.137,1116 12.096,1117 14.198,1118 7.902,1119 24.722,1120 11.684,1121 2.309,1122 9.242,1123 21.659,1124 4.082,1125 13.213,1126 15.499,1127 8.539,1128 27.139,1129 12.767,1130 1.93,1131 6.501,1132 23.555,1133 3.104,1134 14.393,1135 16.95,1136 9.436,1137 29.6,1138 13.915,1139 1.806,1140 5.617,1141 25.457,1142 2.762,1143 15.544,1144 18.301,1145 10.13,1146 32.04,1147 15.031,1148 1.487,1149 5.111,1150 27.364,1151 2.294,1152 16.72,1153 19.73,1154 10.981,1155 34.498,1156 16.173,1157 1.107,1158 3.716,1159 29.276,1160 2.108,1161 17.886,1162 21.107,1163 11.71,1164 36.948,1165 17.305,1166 3430,1167 5380,1168 14.622,1169 25.228,1170 32.999,1171 34.188,1172 34.664,1173 32.811,1174 32.799,1175 38.371,1176 9.003,1177 96.029,1178 31.07,1179 5.455,1180 5.696,1181 6.717,1182 5.341,1183 5.277,1184 7.082,1185 3.889,1186 19.208,1187 5.158,1188 9.438,1189 1.5,1190 1.554,1191 1.576,1192 1.491,1193 1.491,1194 1.744,1195 0.409,1196 4.365,1197 1.412,1198 4.041,1199 4.07,1200 3.982,1201 3.936,1202 7.435,1203 3.943,1204 3.73,1205 3.773,1206 3.639,1207 3.595,1208 4.898,1209 3.595,1210 3.597,1211 3.669,1212 3.477,1213 3.363,1214 4.428,1215 3.374,1216 3.279,1217 3.357,1218 3.114,1219 3.036,1220 4.257,1221 3.041,1222 3.209,1223 3.237,1224 3.065,1225 2.928,1226 4.237,1227 2.965,1228 3.039,1229 3.127,1230 2.824,1231 2.847,1232 4.057,1233 2.832,1234 2.862,1235 2.923,1236 2.725,1237 2.674,1238 3.656,1239 2.679,1240 2.707,1241 2.777,1242 2.512,1243 2.554,1244 3.473,1245 2.537,1246 0.204,1247 0.168,1248 0.316,1249 0.193,1250 0.149,1251 4.496,1252 0.186,1253 3.696,1254 0.099,1255 6.945,1256 0.533,1257 4.24,1258 0.144,1259 3.277,1260 4.082,1261 2.186,1262 11.722,1263 3.158,1264 1.937,1265 1.92,1266 2.036,1267 2.051,1268 1.359,1269 2.044,1270 1.604,1271 1.55,1272 1.848,1273 1.826,1274 1.123,1275 1.828,1276 1.551,1277 1.473,1278 1.838,1279 1.788,1280 0.989,1281 1.809,1282 1.479,1283 1.403,1284 1.717,1285 1.686,1286 0.888,1287 1.702,1288 1.071,1289 1.05,1290 1.415,1291 1.405,1292 0.565,1293 1.367,1294 1.015,1295 0.925,1296 1.267,1297 1.303,1298 0.395,1299 1.342,1300 0.849,1301 0.785,1302 1.165,1303 1.1,1304 0.223,1305 1.125,1306 0.693,1307 0.636,1308 0.979,1309 0.913,1310 0.107,1311 0.941,1312 3.807,1314 5.13,1315 2.398,1316 6.663,1317 4.727,1318 8.304,1319 6.823,1320 10.007,1322 3.993,1328 3.474,1329 2.629,1330 11.208,1332 0.906,1333 2.349,1340 23.928,1341 61.08,1342 135.367,1343 186.612,1344 195.367,1345 195.367,1346 195.367,1347 29.362,1348 6.902,1349 50.8,1350 50.8,1351 17,1352 12.398,1353 3,1354 2.322,1355 29.846,1356 56,1357 68,1358 0.273,1359 146.343,1360 257.89,1361 348.837,1362 7965,1364 14.113,1365 0.706,1366 0.594,1367 14.113,1368 11.887,1369 9.703,1370 0.441,1371 0.324,1372 6.99,1373 9.21,1374 6.808,1375 5.646,1376 9.703,1377 7.12,1378 8.618,1379 0.278,1380 0.174,1381 8.618,1382 5.38,1383 7.314,1384 0.17,1385 0.095,1386 7.314,1387 4.068,1388 6.583,1389 0.11,1390 0.053,1391 6.583,1392 3.163,1393 5.089,1394 0.069,1395 0.028,1396 5.089,1397 2.089,1398 0.411,1399 61.632,1400 0.262,1401 19.488,1402 0.803,1403 106,1404 317.185,1405 120.098,1406 293.109,1407 400.45,1408 276,1409 127,1410 295.166,1411 141.24,1412 292.762,1413 435.68,1414 275,1415 6.377}
{0 CHEMBL187404,1 1.236,2 17.368,3 6.578,4 43.265,5 160.639,6 6.472,7 0.558,8 4.426,9 4.562,10 3.899,11 4.002,12 5.335,13 3.944,14 5.008,15 5.208,16 4.225,17 4.427,18 5.829,19 4.337,20 5.32,21 5.567,22 4.262,23 4.612,24 6.059,25 4.47,26 5.362,27 5.633,28 4.165,29 4.601,30 6.072,31 4.43,32 5.293,33 5.555,34 4.153,35 4.56,36 6.039,37 4.395,38 5.244,39 5.513,40 4.057,41 4.466,42 5.982,43 4.303,44 5.13,45 5.407,46 3.956,47 4.339,48 5.836,49 4.18,50 5.018,51 5.278,52 3.934,53 4.291,54 5.756,55 4.144,56 0.093,57 1.122,58 18.454,59 7.477,60 12.504,61 10.819,62 0.249,63 1.929,64 33.879,65 12.391,66 23,67 18.419,68 0.304,69 2.46,70 46.226,71 17.871,72 32.613,73 26.294,74 0.34,75 2.47,76 48.118,77 19.545,78 36.115,79 28.371,80 0.224,81 2.302,82 44.535,83 18.738,84 36.233,85 27.072,86 0.283,87 2.218,88 42.927,89 16.567,90 36.304,91 24.432,92 0.256,93 1.97,94 38.357,95 14.649,96 29.816,97 21.678,98 0.217,99 1.785,100 34.099,101 13.38,102 26.058,103 19.633,105 58,106 0.188,107 0.448,108 0.605,109 0.68,110 0.68,111 0.68,112 3.667,113 1.023,114 -6.05,115 -5.9,116 -5.49,121 43.6,123 6,127 6,144 12,145 4,146 2,147 4,176 17,180 8,187 20,189 6,192 2,200 14,203 4,208 2,214 22,216 4,227 20,229 4,232 2,239 12,241 8,244 4,251 9,253 6,256 4,264 12,266 2,269 4,277 18,280 1,281 3192,282 26.67,283 26.67,284 26.67,285 26.67,286 26.67,287 23.888,288 36.12,289 16.164,290 27.105,291 21.329,292 21.329,293 21.329,294 21.329,295 21.329,296 17.174,297 53.757,298 7.775,299 22.048,300 5.049,301 3.341,302 2.308,303 1.821,304 1.821,305 1.821,306 4.391,313 1482,314 2.646,318 812.121,325 2.914,326 11.175,329 0.5,330 0.5,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.7,337 78,338 660,339 4.313,340 3.116,341 6.201,342 3.94,343 2.948,344 3.973,345 0.8,346 9.317,347 2.933,348 4.158,349 3.111,350 6.143,351 3.821,352 2.877,353 3.718,354 0.8,355 9.058,356 2.717,357 4.135,358 3.018,359 6.142,360 3.808,361 2.861,362 3.688,363 0.522,364 9.054,365 2.704,366 3.926,367 2.877,368 5.597,369 3.591,370 2.626,371 3.433,372 0.522,373 7.753,374 2.544,375 3.734,376 2.662,377 5.508,378 3.427,379 2.486,380 3.013,382 7.436,383 2.345,384 3.591,385 2.32,386 5.105,387 3.188,388 2.234,389 2.895,391 6.291,392 2.119,393 3.381,394 2.162,395 4.966,396 3.023,397 2.041,398 2.669,400 5.834,401 1.997,402 2.987,403 1.865,404 4.445,405 2.779,406 1.799,407 2.088,409 4.503,410 1.759,411 2.952,412 1.824,413 4.428,414 2.738,415 1.762,416 2.011,418 4.45,419 1.715,420 2.844,421 1.505,422 4.206,423 2.421,424 1.426,425 1.954,427 3.76,428 1.417,429 2.68,430 1.288,431 3.518,432 2.216,433 1.222,434 1.763,436 2.723,437 1.214,438 2.5,439 1.254,440 3.504,441 2.11,442 1.144,443 1.5,445 2.693,446 1.102,447 2.5,448 1.208,449 3.489,450 2.106,451 1.136,452 1.5,454 2.616,455 1.098,456 2.5,457 1.077,458 3.457,459 2,460 1,461 1.5,463 2.407,464 1,465 2.257,466 1.077,467 3.414,468 1.984,469 1,470 1.242,472 2.275,473 0.983,474 18.6,475 0.489,476 0.632,477 0.017,478 47.5,479 1.25,480 23,481 0.605,482 24.5,483 0.645,484 35.537,485 0.935,486 40.2,487 0.515,488 35.293,489 0.929,490 8.812,491 0.232,492 9.986,493 0.263,496 0.247,501 1.02,502 1.391,503 0.92,504 1.12,505 0.824,506 1.033,507 1.704,508 1.139,509 1.094,510 0.999,511 0.941,512 1.006,513 1.269,514 1.057,515 1.069,516 1.025,517 0.991,518 1.033,519 0.872,520 0.899,521 0.996,522 0.974,523 1.022,524 0.99,525 0.634,526 1.048,527 0.938,528 1.046,529 1.083,530 1.018,531 1.191,532 1.019,533 1.041,534 1.002,535 1.265,536 1.01,537 1.17,538 0.971,539 0.963,540 0.927,541 0.927,542 0.931,543 1.109,544 0.97,545 0.973,546 0.946,547 0.965,548 0.95,549 6,550 0.214,551 3.111,552 1.625,553 1.111,554 0.833,555 0.803,556 0.403,557 0.214,558 0.182,559 29199,560 49171,561 2.225,562 51.3,563 4,564 24,566 4,569 8,572 1.782,573 2.192,574 4.062,575 -0.888,582 96.411,583 1.236,584 2.945,585 3.977,586 4.465,587 4.465,588 4.465,589 3.511,590 3.722,591 5.215,592 4.244,593 2983.63,594 9.155,595 53403.6,600 490.261,601 0.831,602 5.222,603 0.14,604 0.005,605 0.054,606 0.028,607 0.021,608 0.016,609 0.017,610 0.01,611 0.005,612 0.004,613 0.3,614 0.33,615 0.63,617 216.77,618 0.14,619 -0.215,620 0.092,621 -0.059,622 0.186,623 0.001,624 -0.168,625 0.008,626 -0.064,627 -0.011,628 0.057,629 -0.027,630 -0.111,631 -0.017,632 -0.069,633 -0.037,634 0.003,635 -0.048,636 0.038,637 0.082,638 -0.014,639 0.021,640 0.007,641 0.004,642 0.072,643 -0.083,644 0.032,645 -0.029,646 0.014,647 -0.006,648 -0.084,649 -0.015,650 -0.046,651 -0.025,652 -0.121,653 -0.031,654 -0.037,655 0.025,656 0.034,657 0.044,658 0.099,659 0.044,660 -0.051,661 0.041,662 0.021,663 0.044,664 0.075,665 0.038,666 0.618,667 0.517,668 0.947,669 57.053,670 0.978,671 1.121,672 4.824,673 23.268,674 0.663,675 3.784,676 4.078,677 4.344,678 4.595,679 4.844,680 4.844,681 5.024,682 5.142,683 5.257,684 5.38,685 9.841,686 0.61,687 504.78,688 3.784,689 5.313,690 6.155,691 7.013,692 7.864,693 8.726,694 9.581,695 10.443,696 11.3,697 12.162,698 5.1,704 2,708 2,715 16,720 6,721 2,722 24,736 2,741 78,743 24,744 2,745 43,747 83,748 34,749 22,750 4,751 8,756 6,757 6,767 6,770 6,772 22,773 12,793 40,794 2,796 4,802 4,803 2,808 1,822 2,829 6,859 6,868 38,876 12,881 2,901 17.333,902 13.733,903 8.333,904 5.285,907 4.666,908 1.523,909 1.024,910 8.136,911 13.591,912 4.025,913 4.575,914 5.118,915 5.67,916 6.235,917 6.406,918 6.848,919 7.256,920 7.651,921 8.029,922 0.917,923 58,924 14.103,926 5.926,927 0.026,929 7.289,931 28.588,933 24.33,936 1.789,937 68,941 470.844,942 196.002,943 10.047,948 196.002,949 470.844,950 10.047,952 27.841,953 113.715,954 50.883,955 60.694,957 423.76,959 470.844,960 206.049,964 376.675,965 94.169,968 64.031,969 138.219,970 3.798,972 470.844,973 10.047,974 196.002,977 470.844,978 46.097,979 159.951,982 470.844,983 10.047,984 196.002,986 0.571,987 0.33,988 0.183,989 0.102,990 28,991 10,992 0.084,993 7,995 1,996 5.158,997 363.533,999 36,1000 145.421,1005 25.275,1006 12.231,1007 6.534,1009 6.249,1010 35.984,1015 7.911,1016 4.57,1018 676.893,1019 55,1031 76.312,1032 87.467,1034 0.197,1035 0.469,1036 0.633,1037 0.71,1038 0.71,1039 0.71,1040 5.247,1041 1.799,1042 6.098,1043 5.834,1044 4.762,1045 5.263,1046 1.388,1047 6.847,1048 4.697,1049 6.405,1050 1.762,1051 7.607,1052 4.503,1053 4.111,1054 4.796,1055 0.57,1056 7.573,1057 3.976,1058 7.675,1059 1.426,1060 9.213,1061 4.45,1062 6.293,1063 7.354,1064 0.796,1065 10.657,1066 6.155,1067 8.976,1068 1.222,1069 10.878,1070 3.76,1071 6.494,1072 7.71,1073 0.479,1074 12.229,1075 6.287,1076 10.31,1077 1.144,1078 12.582,1079 2.723,1080 8.079,1081 9.709,1082 0.483,1083 14.772,1084 7.867,1085 11.665,1086 1.136,1087 14.312,1088 2.693,1089 8.694,1090 10.469,1091 0.346,1092 16.696,1093 8.425,1094 13.037,1095 1,1096 16.061,1097 2.616,1098 10.002,1099 12.195,1100 0.308,1101 19.036,1102 9.723,1103 2.948,1104 1,1105 17.823,1106 2.407,1107 10.831,1108 13.181,1109 0.237,1110 21.115,1111 10.508,1112 2.877,1113 9.317,1114 19.595,1115 2.275,1116 12.005,1117 14.755,1118 0.2,1119 23.375,1120 11.666,1121 2.861,1122 9.058,1123 21.374,1124 3.973,1125 12.946,1126 15.879,1127 0.158,1128 25.525,1129 12.573,1130 2.626,1131 9.054,1132 23.16,1133 3.718,1134 14.057,1135 17.363,1136 0.13,1137 27.754,1138 13.665,1139 2.486,1140 7.753,1141 24.95,1142 3.688,1143 15.055,1144 18.572,1145 0.104,1146 29.937,1147 14.636,1148 2.234,1149 7.436,1150 26.745,1151 3.433,1152 16.136,1153 20.004,1154 0.085,1155 32.155,1156 15.699,1157 2.041,1158 6.291,1159 28.542,1160 3.013,1161 17.164,1162 21.267,1163 0.068,1164 34.353,1165 16.705,1166 26341,1167 34350,1168 30.394,1169 51.728,1170 63.723,1171 63.702,1172 63.825,1173 63.591,1174 63.527,1175 80.863,1176 5.286,1177 174.488,1178 61.577,1179 5.313,1180 5.116,1181 6.003,1182 4.976,1183 4.948,1184 6.973,1185 1.322,1186 15.681,1187 4.933,1189 1.482,1190 1.481,1191 1.484,1192 1.479,1193 1.477,1194 1.881,1195 0.123,1196 4.058,1197 1.432,1198 4.085,1199 4.127,1200 4.024,1201 4.006,1202 4.879,1203 4.005,1204 3.982,1205 4.034,1206 3.919,1207 3.851,1208 4.787,1209 3.861,1210 3.928,1211 3.967,1212 3.862,1213 3.824,1214 4.735,1215 3.829,1216 3.803,1217 3.86,1218 3.702,1219 3.704,1220 4.567,1221 3.698,1222 3.749,1223 3.814,1224 3.618,1225 3.607,1226 4.272,1227 3.599,1228 3.688,1229 3.732,1230 3.577,1231 3.582,1232 4.254,1233 3.572,1234 3.232,1235 3.299,1236 3.116,1237 3.096,1238 3.853,1239 3.093,1240 3.183,1241 3.258,1242 3.055,1243 3.019,1244 3.824,1245 3.017,1246 0.1,1247 0.072,1248 0.144,1249 0.092,1250 0.069,1251 4.313,1252 0.092,1253 3.116,1254 0.019,1255 6.201,1256 0.217,1257 3.94,1258 0.068,1259 2.948,1260 3.973,1261 0.8,1262 9.317,1263 2.933,1264 2.026,1265 2,1266 2.127,1267 2.131,1268 1.404,1269 2.131,1270 1.945,1271 1.899,1272 2.085,1273 2.105,1274 1.404,1275 2.101,1276 1.902,1277 1.857,1278 2.062,1279 2.032,1280 1.277,1281 2.045,1282 1.804,1283 1.757,1284 1.992,1285 1.958,1286 1.179,1287 1.975,1288 1.739,1289 1.679,1290 1.924,1291 1.905,1292 1.051,1293 1.918,1294 1.696,1295 1.649,1296 1.851,1297 1.804,1298 0.955,1299 1.823,1300 1.223,1301 1.164,1302 1.513,1303 1.411,1304 0.825,1305 1.429,1306 1.168,1307 1.099,1308 1.513,1309 1.379,1310 0.825,1311 1.429,1312 4.466,1314 5.765,1316 7.266,1318 8.848,1320 10.467,1328 14.501,1333 5.033,1340 47.568,1341 96.411,1342 229.693,1343 310.222,1344 348.261,1345 348.261,1346 348.261,1347 46.384,1348 8.925,1349 14.24,1350 14.24,1351 36,1352 12.712,1353 4.644,1354 3.7,1355 53.46,1356 223,1357 220,1358 0.112,1359 287.526,1360 493.96,1361 693.322,1362 130587,1364 25.572,1365 0.673,1366 0.595,1367 25.572,1368 22.617,1369 18.798,1370 0.437,1371 0.341,1372 14.542,1373 18.388,1374 14.251,1375 11.821,1376 18.798,1377 14.662,1378 16.415,1379 0.283,1380 0.193,1381 16.415,1382 11.183,1383 14.063,1384 0.185,1385 0.109,1386 14.063,1387 8.319,1388 11.894,1389 0.121,1390 0.063,1391 11.894,1392 6.147,1393 10.03,1394 0.08,1395 0.036,1396 10.03,1397 4.517,1398 0.184,1399 115.162,1400 0.181,1401 35.513,1402 0.285,1403 202,1404 381.956,1405 210.992,1406 388.021,1407 559.94,1408 370,1409 235,1410 434.141,1411 245.991,1412 446.786,1413 651.08,1414 424,1415 7.222}
{0 CHEMBL187460,1 1.299,2 6.955,3 3.435,4 11.799,5 86.411,6 7.057,7 0.24,8 3.832,9 3.932,10 3.368,11 3.448,12 4.84,13 3.405,14 4.449,15 4.611,16 3.832,17 3.929,18 5.4,19 3.875,20 4.757,21 4.928,22 4.008,23 4.147,24 5.865,25 4.07,26 4.927,27 5.141,28 3.981,29 4.157,30 5.961,31 4.06,32 4.84,33 5.051,34 3.752,35 3.994,36 5.951,37 3.879,38 4.649,39 4.887,40 3.426,41 3.699,42 5.715,43 3.579,44 4.308,45 4.502,46 3.111,47 3.383,48 5.448,49 3.278,50 4.119,51 4.342,52 2.568,53 3.134,54 5.049,55 2.97,56 0.011,57 0.529,58 8.953,59 4.529,60 4.648,61 5.733,62 0.091,63 0.956,64 18.037,65 8.212,66 14.232,67 10.637,68 0.197,69 1.288,70 24.96,71 11.079,72 44.967,73 14.506,74 0.321,75 1.473,76 31.364,77 12.671,78 45.696,79 16.82,80 0.382,81 1.322,82 29.227,83 11.286,84 69.064,85 14.743,86 0.332,87 1.06,88 25.07,89 9.018,90 65.644,91 11.759,92 0.272,93 0.742,94 17.543,95 6.2,96 52.685,97 7.655,98 0.318,99 0.604,100 15.039,101 5.069,102 44.556,103 6.333,104 26,105 40,106 0.229,107 0.557,108 0.755,109 0.824,110 0.824,111 0.824,112 3.15,113 0.965,114 -4.54,115 -4.46,116 -4.2,121 45.2,122 3,123 3,124 1,125 1,127 1,138 1,140 1,144 2,145 4,158 1,159 1,176 15,180 5,187 21,191 1,192 8,200 21,205 1,206 9,214 17,218 1,219 9,227 10,232 8,239 6,244 6,251 7,264 5,277 3,281 506,282 14.438,283 14.438,284 14.438,285 14.438,286 14.438,287 13.382,288 15.865,289 7.859,290 14.496,291 12.263,292 12.263,293 12.263,294 12.263,295 12.263,296 10.305,297 14.198,298 3.631,299 12.329,300 4.093,301 2.234,302 1.108,303 0.721,304 0.721,305 0.721,306 3.838,310 1,311 1,312 1,313 337,314 2.739,317 29.675,318 95.601,321 50.163,322 105.714,325 1.145,326 28.223,327 1,328 1,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 47,338 153,339 4.798,340 3.954,341 7.456,342 4.523,343 3.522,344 4.446,345 0.86,346 13.224,347 3.528,348 4.51,349 3.659,350 7.111,351 4.309,352 3.309,353 3.877,355 12.183,356 3.312,357 4.009,358 3.245,359 6.483,360 3.751,361 2.754,362 3.258,364 9.92,365 2.744,366 3.75,367 3.023,368 5.933,369 3.417,370 2.396,371 3.031,373 7.944,374 2.43,375 3.263,376 2.539,377 5.538,378 3.062,379 2.062,380 2.394,382 6.742,383 2.06,384 2.936,385 2.29,386 4.837,387 2.599,388 1.595,389 2.056,391 4.653,392 1.599,393 2.723,394 1.768,395 4.448,396 2.499,397 1.496,398 1.699,400 3.954,401 1.495,402 2.4,403 1.61,404 4.072,405 2.134,406 1.168,407 1.332,409 2.941,410 1.125,411 2.219,412 1.369,413 3.774,414 1.901,415 0.959,416 1.1,418 2.408,419 0.886,420 1.958,421 1.174,422 3.322,423 1.461,424 0.399,425 0.585,427 0.983,428 0.416,429 1.174,430 0.347,431 3.015,432 0.976,433 -0.043,434 -0.049,436 -0.111,437 -0.044,438 1.085,439 0.108,440 2.866,441 0.781,442 -0.221,443 -0.266,445 -0.606,446 -0.221,447 0.578,448 -0.292,449 2.741,450 0.36,451 -0.638,452 -0.703,454 -1.648,455 -0.624,456 0.539,457 -0.415,458 2.245,459 0.311,460 -0.688,461 -0.841,463 -1.832,464 -0.69,465 0.172,466 -0.677,467 2.166,469 -1,470 -1,472 -3,473 -1,474 10.5,475 0.477,476 0.842,477 0.038,478 24,479 1.091,480 10.5,481 0.477,482 13.5,483 0.614,484 22.947,485 1.043,486 23.7,487 0.564,488 16.534,489 0.752,490 3.968,491 0.18,492 6.447,493 0.293,494 0.206,495 0.048,496 0.429,501 0.582,502 1.051,503 0.787,504 1.04,505 0.517,506 0.959,507 0.713,508 0.859,509 0.703,510 0.845,511 0.513,512 0.784,513 0.641,514 1.121,515 0.88,516 1.114,517 0.562,518 1.045,519 0.854,520 1.029,521 0.886,522 1.018,523 0.795,524 0.966,525 1.169,526 1.135,527 1.131,528 1.133,529 1.442,530 1.127,531 1.501,532 0.938,533 1.109,534 0.932,535 1.731,536 0.957,537 2.002,538 1.138,539 1.457,540 1.137,541 2.118,542 1.203,543 2.206,544 0.866,545 1.63,546 0.9,547 1.733,548 1.136,549 5,551 4,552 2.75,553 2.441,554 1.153,555 0.549,556 0.295,557 0.149,558 0.016,559 4154,560 9048,561 2.081,562 47.6,563 15,564 4,569 1,572 1.654,573 1.872,574 2.809,575 -0.851,577 1,579 1,582 54.573,583 1.299,584 3.159,585 4.284,586 4.672,587 4.672,588 4.672,589 2.313,590 4.096,591 4.437,592 2.91,593 672.124,594 7.663,595 6827.72,596 1,597 1,599 1,600 226.477,601 1.742,602 4.348,603 0.2,605 0.1,606 0.061,607 0.058,608 0.037,609 0.025,610 0.02,611 0.019,612 0.005,613 0.525,614 0.83,615 1,616 0.688,617 96.326,618 0.004,619 0.031,620 0.061,621 0.037,622 -0.023,623 0.054,624 0.007,625 0.18,626 0.202,627 0.192,628 0.043,629 0.221,630 0.126,631 -0.101,632 0.035,633 -0.094,634 0.168,635 -0.051,636 0.09,637 -0.047,638 0.082,639 -0.036,640 0.059,641 0.013,642 -0.004,643 -0.164,644 -0.136,645 -0.168,646 -0.079,647 -0.171,648 -0.159,649 0.01,650 -0.07,651 0.008,652 -0.176,653 -0.014,654 -0.317,655 -0.178,656 -0.4,657 -0.201,658 -0.283,659 -0.296,660 -0.487,661 0.077,662 -0.554,663 0.021,664 -0.333,665 -0.231,666 2.024,667 5.748,668 0.773,669 12.545,670 0.996,671 1.114,672 3.308,673 10.946,674 0.666,675 3.258,676 3.714,677 4.094,678 4.454,679 4.736,680 4.927,681 5.13,682 5.303,683 5.416,684 5.342,685 4.324,686 0.629,687 296.39,688 3.258,689 4.875,690 5.796,691 6.751,692 7.688,693 8.645,694 9.588,695 10.544,696 11.489,697 12.445,715 2,720 4,722 6,727 1,741 42,743 9,744 1,745 25,747 45,748 19,749 6,750 4,751 2,752 4,756 4,757 10,763 3,764 1,766 1,767 3,768 1,770 3,772 10,773 9,774 1,777 3,782 2,786 4,789 1,790 1,793 20,794 3,796 3,808 0.25,809 3,828 1,829 3,832 1,833 2,841 1,849 1,850 1,858 1,859 1,864 3,868 22,876 4,878 1,880 1,882 1,893 7.1,896 2,897 1,901 11.75,902 8.75,903 4.542,904 2.882,907 1.783,908 1.234,909 0.977,910 2.776,911 9.415,912 3.466,913 4.103,914 4.76,915 5.347,916 5.89,917 6.287,918 6.701,919 7.016,920 7.313,921 7.301,922 0.8,923 45,924 8.283,926 3.808,927 0.026,929 7.746,931 16.049,933 14.476,936 2.246,937 49.417,938 0.001,940 1,941 235.422,942 89.062,945 61.29,948 89.062,949 296.712,951 26.476,952 12.196,953 18.952,954 76.8,955 15.928,957 235.422,959 235.422,960 89.062,961 61.29,964 223.651,965 62.061,966 11,968 38.672,969 45.147,970 5.243,972 235.422,973 61.29,974 89.062,977 235.422,978 43.634,979 45.428,981 61.29,982 235.422,983 61.29,984 89.062,986 0.619,987 0.388,988 0.216,989 0.116,990 24,991 11,994 3,995 1.353,996 3.16,997 199.998,998 0.353,999 17,1000 96.107,1005 13.903,1006 4.393,1007 1.758,1009 61.29,1010 4.117,1015 3.735,1018 385.774,1019 31,1024 25.288,1028 0.538,1031 41.818,1032 46.78,1034 0.241,1035 0.586,1036 0.795,1037 0.866,1038 0.866,1039 0.866,1040 4.808,1041 1.168,1042 5.878,1043 3.954,1044 4.394,1045 4.787,1046 0.908,1047 6.864,1048 4.39,1049 6.071,1050 0.959,1051 7.559,1052 2.941,1053 4.369,1054 4.89,1056 8.223,1057 4.385,1058 7.451,1059 0.399,1060 9.346,1061 2.408,1062 6.209,1063 7.034,1064 0.739,1065 11.355,1066 6.208,1067 8.866,1068 -0.043,1069 11.195,1070 0.983,1071 6.957,1072 7.914,1074 13.464,1075 6.971,1076 10.315,1077 -0.221,1078 13.08,1079 -0.111,1080 8.366,1081 9.617,1082 0.593,1083 16.192,1084 8.371,1085 11.786,1086 -0.638,1087 14.99,1088 -0.606,1089 9.415,1090 10.821,1092 18.574,1093 9.427,1094 13.273,1095 -0.688,1096 16.917,1097 -1.648,1098 10.694,1099 12.374,1100 0.469,1101 21.182,1102 10.703,1103 3.522,1104 -1,1105 18.857,1106 -1.832,1107 11.856,1108 13.721,1110 23.668,1111 11.87,1112 3.309,1113 13.224,1114 20.806,1115 -3,1116 13.099,1117 15.222,1118 0.366,1119 26.24,1120 13.112,1121 2.754,1122 12.183,1123 22.763,1124 4.446,1125 14.305,1126 16.636,1128 28.769,1129 14.321,1130 2.396,1131 9.92,1132 24.726,1133 3.877,1134 15.54,1135 18.119,1136 0.283,1137 31.331,1138 15.557,1139 2.062,1140 7.944,1141 26.694,1142 3.258,1143 16.765,1144 19.566,1146 33.879,1147 16.784,1148 1.595,1149 6.742,1150 28.666,1151 3.031,1152 18.001,1153 21.044,1154 0.217,1155 36.44,1156 18.022,1157 1.496,1158 4.653,1159 30.642,1160 2.394,1161 19.235,1162 22.508,1164 38.997,1165 19.257,1166 4023,1167 6064,1168 16.126,1169 27.978,1170 40.331,1171 42.424,1172 41.949,1173 39.312,1174 39.318,1175 47.553,1176 1.72,1177 129.906,1178 39.188,1179 5.751,1180 5.954,1181 6.9,1182 5.564,1183 5.522,1184 7.446,1185 1.72,1186 21.299,1187 5.528,1188 12.208,1189 1.613,1190 1.697,1191 1.678,1192 1.572,1193 1.573,1194 1.902,1195 0.069,1196 5.196,1197 1.568,1198 4.114,1199 4.127,1200 4.077,1201 4.056,1202 7.497,1203 4.058,1204 3.851,1205 3.879,1206 3.772,1207 3.749,1208 7.352,1209 3.751,1210 3.554,1211 3.601,1212 3.434,1213 3.442,1214 4.81,1215 3.431,1216 3.362,1217 3.425,1218 3.281,1219 3.223,1220 4.561,1221 3.216,1222 3.309,1223 3.332,1224 3.13,1225 3.118,1226 4.152,1227 3.126,1228 3.014,1229 3.085,1230 2.827,1231 2.82,1232 3.858,1233 2.814,1234 2.874,1235 3.009,1236 2.672,1237 2.631,1238 3.833,1239 2.623,1240 2.839,1241 2.917,1242 2.533,1243 2.618,1244 3.517,1245 2.57,1246 0.192,1247 0.158,1248 0.298,1249 0.181,1250 0.141,1251 4.798,1252 0.178,1253 3.954,1254 0.034,1255 7.456,1256 0.529,1257 4.523,1258 0.141,1259 3.522,1260 4.446,1261 0.86,1262 13.224,1263 3.528,1264 2.06,1265 2.044,1266 2.161,1267 2.128,1268 1.485,1269 2.138,1270 1.764,1271 1.737,1272 1.918,1273 1.885,1274 1.206,1275 1.893,1276 1.566,1277 1.513,1278 1.8,1279 1.739,1280 1.018,1281 1.762,1282 1.381,1283 1.312,1284 1.692,1285 1.572,1286 0.93,1287 1.618,1288 1.275,1289 1.246,1290 1.422,1291 1.473,1292 0.544,1293 1.458,1294 1.023,1295 1.007,1296 1.417,1297 1.303,1298 0.469,1299 1.308,1300 0.934,1301 0.804,1302 1.331,1303 1.239,1304 0.449,1305 1.298,1306 0.871,1307 0.776,1308 1.24,1309 1.112,1310 0.431,1311 1.159,1312 3.932,1314 5.352,1315 2.398,1316 6.982,1317 4.727,1318 8.713,1319 6.843,1320 10.499,1322 6.372,1328 3.536,1330 5.764,1332 0.007,1334 0.06,1340 26.412,1341 54.573,1342 132.664,1343 179.948,1344 196.213,1345 196.213,1346 196.213,1347 44.886,1348 7.632,1349 43.37,1350 43.37,1351 23,1352 12.932,1353 3.322,1354 2.807,1355 29.615,1356 58,1357 52,1358 0.27,1359 157.876,1360 287.45,1361 376.977,1362 18983,1364 15.646,1365 0.711,1366 0.604,1367 15.646,1368 13.285,1369 10.416,1370 0.417,1371 0.322,1372 7.982,1373 10.167,1374 7.655,1375 6.327,1376 10.416,1377 8.043,1378 10.484,1379 0.262,1380 0.184,1381 10.484,1382 7.365,1383 9.379,1384 0.159,1385 0.092,1386 9.379,1387 5.408,1388 8.357,1389 0.098,1390 0.05,1391 8.357,1392 4.211,1393 6.808,1394 0.06,1395 0.026,1396 6.808,1397 2.97,1398 0.393,1399 64.556,1400 0.249,1401 20.52,1402 0.846,1403 130,1404 333.207,1405 137.75,1406 318.85,1407 440.44,1408 298,1409 164,1410 326.727,1411 173.08,1412 333.141,1413 503.5,1414 314,1415 4}
{0 CHEMBL187591,1 1.373,2 12.464,3 3.749,4 14.053,5 117.228,6 6.644,7 0.387,8 4.163,9 4.283,10 3.69,11 3.733,12 5.067,13 3.656,14 4.773,15 4.964,16 4.075,17 4.19,18 5.555,19 4.078,20 5.058,21 5.269,22 4.104,23 4.4,24 5.796,25 4.228,26 5.239,27 5.514,28 4.055,29 4.41,30 5.871,31 4.202,32 5.19,33 5.463,34 4.002,35 4.355,36 5.835,37 4.146,38 5.092,39 5.354,40 3.809,41 4.299,42 5.729,43 4.068,44 5.036,45 5.332,46 3.636,47 4.15,48 5.615,49 3.908,50 4.814,51 5.092,52 3.517,53 3.963,54 5.438,55 3.742,56 0.064,57 0.817,58 15.279,59 6.517,60 11.043,61 8.644,62 0.259,63 1.43,64 30.475,65 11.356,66 19.458,67 14.91,68 0.336,69 1.86,70 41.341,71 16.293,72 26.388,73 21.331,74 0.307,75 2.08,76 48.107,77 18.509,78 29.39,79 24.955,80 0.381,81 1.965,82 48.009,83 17.699,84 31.096,85 23.267,86 0.27,87 1.839,88 44.053,89 16.75,90 25.353,91 22.136,92 0.257,93 1.661,94 39.16,95 15.1,96 24.074,97 20.389,98 0.194,99 1.345,100 32.757,101 12.497,102 18.723,103 16.417,104 14,105 44,106 0.225,107 0.503,108 0.737,109 0.801,110 0.813,111 0.819,112 3.374,113 1.105,114 -1.95,115 -2,116 -2,121 40,123 4,124 1,126 3,127 3,129 1,144 7,145 2,146 3,176 11,180 2,187 16,189 3,191 1,192 3,200 9,203 3,206 3,214 9,216 3,219 2,227 9,229 1,232 2,239 11,241 2,244 2,251 6,253 1,256 4,264 5,266 2,277 6,281 1188,282 19.135,283 19.135,284 19.135,285 19.135,286 19.135,287 17.659,288 22.46,289 11.161,290 19.793,291 15.209,292 15.209,293 15.209,294 15.209,295 15.209,296 12.917,297 26.594,298 5.186,299 16.125,300 4.534,301 2.836,302 1.403,303 1.017,304 0.938,305 0.904,306 4.072,311 1,312 1,313 759,314 3.24,317 65.266,318 278.178,321 124.072,325 2.036,326 11.805,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 58.5,338 349,339 4.422,340 4.604,341 6.998,342 4.221,343 3.304,344 4.088,345 2.95,346 11.915,347 3.035,348 4.326,349 3.679,350 6.398,351 4.038,352 3.095,353 3.532,354 1.26,355 9.988,356 2.916,357 3.867,358 3.253,359 5.947,360 3.605,361 2.668,362 3.184,363 0.86,364 8.438,365 2.523,366 3.804,367 2.975,368 5.464,369 3.433,370 2.449,371 3.156,372 0.86,373 7.253,374 2.388,375 3.451,376 2.6,377 5.289,378 3.312,379 2.335,380 2.49,381 0.245,382 6.765,383 2.262,384 3.093,385 2.398,386 4.873,387 2.749,388 1.806,389 2.285,391 5.468,392 1.685,393 2.915,394 2.305,395 4.717,396 2.697,397 1.771,398 2.036,400 5.118,401 1.623,402 2.852,403 2.097,404 3.943,405 2.434,406 1.437,407 1.903,409 3.072,410 1.432,411 2.5,412 1.533,413 3.802,414 2,415 1.136,416 1.5,418 2.841,419 1,420 2.223,421 1.077,422 3.707,423 1.985,424 1,425 1.204,427 2.372,428 0.983,429 2,430 1.054,431 3.314,432 1.984,433 1,434 1,436 2.136,437 0.949,438 1.495,439 1,440 3.247,441 1.328,442 0.401,443 0.427,445 0.897,446 0.358,447 1.388,448 0.838,449 2.928,450 1.204,451 0.312,452 0.326,454 0.488,455 0.283,456 1.377,457 0.562,458 2.887,459 1.122,460 0.241,461 0.271,463 0.458,464 0.209,465 1.045,466 0.233,467 2.718,468 0.833,469 -0.137,470 -0.155,472 -0.37,473 -0.132,474 13.9,475 0.496,476 0.676,477 0.024,478 31,479 1.107,480 13.5,481 0.482,482 17.5,483 0.625,484 29.739,485 1.062,486 31.4,487 0.523,488 19.578,489 0.699,490 5.614,491 0.2,492 7.968,493 0.285,494 0.108,495 0.029,496 0.252,501 0.901,502 1.319,503 0.862,504 1.099,505 0.833,506 1.072,507 1.495,508 0.882,509 1.023,510 0.844,511 0.992,512 0.871,513 0.755,514 1.23,515 1.242,516 1.263,517 0.711,518 1.216,519 0.656,520 1.033,521 0.894,522 1.011,523 0.673,524 1.007,525 1.016,526 0.932,527 1.038,528 0.981,529 1.035,530 0.951,531 0.697,532 1.158,533 1.27,534 1.252,535 0.913,536 1.171,537 0.681,538 0.961,539 0.954,540 0.97,541 0.83,542 0.984,543 0.724,544 1.083,545 1.118,546 1.143,547 0.877,548 1.042,549 7,550 0.192,551 2.667,552 2.167,553 1.649,554 0.837,555 0.639,556 0.301,557 0.326,558 0.117,559 10874,560 21954,561 2.106,562 53.3,563 1,564 23,569 8,572 1.705,573 1.988,574 3.608,575 -0.848,577 1,582 82.374,583 1.373,584 3.071,585 4.504,586 4.89,587 4.969,588 5.002,589 3.101,590 3.923,591 4.778,592 3.776,593 1427.43,594 8.277,595 19400.5,597 1,600 354.413,601 1.454,602 4.74,603 0.226,604 0.009,605 0.061,606 0.05,607 0.043,608 0.023,609 0.021,610 0.012,611 0.014,612 0.005,613 0.465,614 0.67,615 1,616 0.789,617 142.809,618 0.057,619 -0.145,620 0.099,621 -0.028,622 0.111,623 0.005,624 -0.169,625 0.249,626 0.05,627 0.196,628 0.035,629 0.134,630 0.073,631 -0.156,632 -0.158,633 -0.176,634 0.089,635 -0.182,636 0.061,637 -0.064,638 0.055,639 -0.038,640 0.087,641 -0.02,642 -0.039,643 0.045,644 0.016,645 0.033,646 -0.08,647 0.03,648 -0.044,649 -0.155,650 -0.173,651 -0.177,652 -0.153,653 -0.156,654 -0.007,655 -0.019,656 -0.004,657 -0.007,658 -0.063,659 -0.007,660 0.03,661 -0.117,662 -0.055,663 -0.106,664 -0.048,665 -0.046,666 0.818,667 1.982,668 0.75,669 29.602,670 0.984,671 1.121,672 0.72,673 0.518,674 0.656,675 3.466,676 3.807,677 4.06,678 4.331,679 4.564,680 4.605,681 4.762,682 4.868,683 4.898,684 5.011,685 7.306,686 0.597,687 398.64,688 3.466,689 5.017,690 5.866,691 6.756,692 7.622,693 8.515,694 9.389,695 10.282,696 11.16,697 12.054,698 1.7,712 1,715 7,720 5,722 12,739 2,741 60,743 12,744 2,745 31,747 63,748 24,749 12,750 5,751 7,756 4,757 5,767 4,768 1,770 5,772 12,773 12,774 1,790 1,793 32,794 2,796 4,797 1,802 1,803 1,807 1,808 0.75,809 2,828 1,829 3,832 1,859 3,860 1,862 1,864 3,868 28,876 7,878 2,879 1,880 2,883 1,893 3.3,898 2,901 14.083,902 11.5,903 6.181,904 3.792,907 2.031,908 1.263,909 0.945,910 6.122,911 9.749,912 3.638,913 4.174,914 4.654,915 5.15,916 5.628,917 5.688,918 5.89,919 6.069,920 6.04,921 6.207,922 1,923 43,924 10.4,926 4.341,927 0.026,929 7.351,931 21.016,933 17.993,936 1.851,937 51.833,939 1,940 1,941 376.675,942 163.58,945 22,947 32.22,948 131.36,949 398.675,951 30.162,952 16.455,953 66.334,955 40.409,957 408.895,959 376.675,960 131.36,961 22,962 32.22,964 282.506,965 116.169,968 16.455,969 114.905,971 32.22,972 376.675,973 22,974 163.58,977 376.675,978 67.084,979 96.496,981 22,982 376.675,983 22,984 163.58,986 0.58,987 0.34,988 0.185,989 0.103,990 22,991 9,992 0.095,993 6,994 1,995 1.095,996 4.058,997 240.343,998 0.095,999 21,1000 123.851,1001 1,1005 19.969,1006 8.584,1007 4.65,1009 22,1010 15.303,1015 5.972,1018 562.255,1019 37,1031 59.029,1032 67.273,1034 0.232,1035 0.52,1036 0.762,1037 0.828,1038 0.841,1039 0.847,1040 4.905,1041 1.437,1042 5.878,1043 5.118,1044 4.489,1045 4.86,1046 3.171,1047 6.715,1048 4.378,1049 6.09,1050 1.136,1051 7.454,1052 3.072,1053 4.205,1054 4.649,1055 0.931,1056 7.863,1057 3.998,1058 7.399,1059 1,1060 9.135,1061 2.841,1062 6.159,1063 6.943,1064 5.059,1065 10.854,1066 5.932,1067 8.739,1068 1,1069 10.88,1070 2.372,1071 6.686,1072 7.501,1073 1.381,1074 12.815,1075 6.336,1076 10.11,1077 0.401,1078 12.668,1079 2.136,1080 8.134,1081 9.32,1082 7.189,1083 15.394,1084 7.765,1085 11.501,1086 0.312,1087 14.485,1088 0.897,1089 9.016,1090 10.24,1091 1.783,1092 17.664,1093 8.523,1094 12.907,1095 0.241,1096 16.323,1097 0.488,1098 10.278,1099 11.855,1100 9.348,1101 20.139,1102 9.749,1103 3.304,1104 -0.137,1105 18.178,1106 0.458,1107 11.32,1108 12.973,1109 2.192,1110 22.525,1111 10.676,1112 3.095,1113 11.915,1114 20.046,1115 -0.37,1116 12.516,1117 14.485,1118 11.511,1119 24.979,1120 11.817,1121 2.668,1122 9.988,1123 21.925,1124 4.088,1125 13.629,1126 15.717,1127 2.615,1128 27.411,1129 12.826,1130 2.449,1131 8.438,1132 23.813,1133 3.532,1134 14.805,1135 17.175,1136 13.675,1137 29.867,1138 13.934,1139 2.335,1140 7.253,1141 25.708,1142 3.184,1143 15.95,1144 18.476,1145 3.05,1146 32.319,1147 14.984,1148 1.806,1149 6.765,1150 27.61,1151 3.156,1152 17.122,1153 19.906,1154 15.838,1155 34.78,1156 16.08,1157 1.771,1158 5.468,1159 29.517,1160 2.49,1161 18.283,1162 21.248,1163 3.495,1164 37.242,1165 17.151,1166 10284,1167 14750,1168 20.86,1169 39.364,1170 46.007,1171 48.839,1172 47.543,1173 45.852,1174 45.908,1175 54.802,1176 12.35,1177 134.417,1178 43.289,1179 5.422,1180 6.604,1181 6.8,1182 5.338,1183 5.304,1184 7.088,1185 5.9,1186 18.642,1187 5.035,1188 12.187,1189 1.484,1190 1.575,1191 1.534,1192 1.479,1193 1.481,1194 1.768,1195 0.398,1196 4.336,1197 1.396,1198 4.047,1199 4.094,1200 4.134,1201 3.988,1202 4.923,1203 3.96,1204 3.957,1205 3.979,1206 3.906,1207 3.878,1208 4.756,1209 3.872,1210 3.829,1211 3.87,1212 3.73,1213 3.728,1214 4.495,1215 3.722,1216 3.563,1217 3.613,1218 3.569,1219 3.421,1220 4.393,1221 3.409,1222 3.353,1223 3.413,1224 3.255,1225 3.18,1226 4.321,1227 3.17,1228 3.247,1229 3.313,1230 3.068,1231 2.958,1232 3.946,1233 2.962,1234 3.111,1235 3.206,1236 2.911,1237 2.941,1238 3.685,1239 2.91,1240 3.104,1241 3.19,1242 2.866,1243 2.896,1244 3.674,1245 2.884,1246 0.143,1247 0.149,1248 0.226,1249 0.136,1250 0.107,1251 4.422,1252 0.132,1253 4.604,1254 0.095,1255 6.998,1256 0.384,1257 4.221,1258 0.098,1259 3.304,1260 4.088,1261 2.95,1262 11.915,1263 3.035,1264 1.972,1265 1.925,1266 2.143,1267 2.138,1268 1.547,1269 2.144,1270 1.872,1271 1.86,1272 2.014,1273 1.968,1274 1.262,1275 1.979,1276 1.847,1277 1.808,1278 1.946,1279 1.946,1280 1.145,1281 1.954,1282 1.572,1283 1.517,1284 1.773,1285 1.74,1286 1.046,1287 1.769,1288 1.31,1289 1.243,1290 1.603,1291 1.538,1292 0.85,1293 1.562,1294 1.195,1295 1.136,1296 1.574,1297 1.518,1298 0.825,1299 1.536,1300 1.182,1301 1.104,1302 1.515,1303 1.422,1304 0.589,1305 1.473,1306 1.153,1307 1.064,1308 1.513,1309 1.376,1310 0.574,1311 1.429,1312 4.143,1314 5.476,1315 2.398,1316 7.004,1317 4.727,1318 8.616,1319 6.823,1320 10.271,1322 5.868,1328 8.947,1330 10.96,1331 2.04,1332 1.556,1335 1.187,1340 35.803,1341 82.374,1342 184.259,1343 270.233,1344 293.394,1345 298.149,1346 300.149,1347 39.81,1348 7.718,1349 18.46,1350 43.76,1351 23,1352 12.583,1353 3.7,1354 2.807,1355 42.758,1356 125,1357 114,1358 0.169,1359 221.23,1360 385.09,1361 531.561,1362 24816,1364 19.562,1365 0.699,1366 0.65,1367 19.916,1368 18.187,1369 13.582,1370 0.438,1371 0.368,1372 10.48,1373 12.671,1374 10.044,1375 8.363,1376 13.99,1377 11.419,1378 12.364,1379 0.281,1380 0.233,1381 13.032,1382 10.253,1383 10.35,1384 0.182,1385 0.141,1386 11.085,1387 8.017,1388 8.644,1389 0.115,1390 0.086,1391 9.527,1392 6.476,1393 7.167,1394 0.075,1395 0.054,1396 7.999,1397 5.135,1398 0.271,1399 88.584,1400 0.219,1401 27.157,1402 0.444,1403 150,1404 324.664,1405 183.822,1406 332.529,1407 461.89,1408 316,1409 176,1410 323.463,1411 207.634,1412 347.757,1413 505.6,1414 324,1415 4.522}
{0 CHEMBL187603,1 1.451,2 13.938,3 2.62,4 6.866,5 128.407,6 6.919,7 0.343,8 4.264,9 4.377,10 3.804,11 3.812,12 5.248,13 3.751,14 4.865,15 5.044,16 4.198,17 4.265,18 5.738,19 4.172,20 5.169,21 5.364,22 4.294,23 4.47,24 6.073,25 4.335,26 5.347,27 5.599,28 4.22,29 4.48,30 6.228,31 4.313,32 5.316,33 5.58,34 4.178,35 4.409,36 6.149,37 4.244,38 5.197,39 5.436,40 4.066,41 4.364,42 6.086,43 4.188,44 5.169,45 5.431,46 3.906,47 4.276,48 6.044,49 4.064,50 5.009,51 5.287,52 3.808,53 4.081,54 5.845,55 3.914,56 0.048,57 0.894,58 16.086,59 7.097,60 12.395,61 9.102,62 0.284,63 1.544,64 32.452,65 12.245,66 24.859,67 15.714,68 0.439,69 2.001,70 45.261,71 17.141,72 45.828,73 22.103,74 0.551,75 2.229,76 54.227,77 19.542,78 80.771,79 26.058,80 0.624,81 2.105,82 53.211,83 18.37,84 66.084,85 24.548,86 0.43,87 1.941,88 48.274,89 17.411,90 59.002,91 22.407,92 0.648,93 1.846,94 48.683,95 17.291,96 77.793,97 22.428,98 0.339,99 1.548,100 39.815,101 13.735,102 46.715,103 18.51,104 30,105 50,106 0.232,107 0.542,108 0.767,109 0.819,110 0.831,111 0.836,112 3.502,113 1.067,114 -0.69,115 -0.8,116 -0.93,121 39.4,123 4,124 1,126 3,127 3,129 2,144 7,145 2,146 3,158 1,176 10,180 3,185 2,187 13,189 3,191 1,192 5,197 2,200 10,203 3,206 5,209 1,214 3,216 2,219 6,224 2,226 1,227 9,229 2,237 1,239 11,243 2,244 2,246 1,249 3,251 9,261 2,264 7,266 2,269 3,272 2,274 2,277 2,279 1,281 1778,282 21.549,283 21.549,284 21.549,285 21.549,286 21.549,287 19.944,288 25.496,289 12.446,290 22.197,291 17.131,292 17.131,293 17.131,294 17.131,295 17.131,296 14.576,297 28.671,298 5.749,299 18.038,300 4.594,301 2.659,302 1.253,303 0.925,304 0.852,305 0.822,306 4.194,311 1,312 1,313 963,314 4.062,317 79.951,318 341.563,321 151.964,325 2.258,326 31.124,329 1,330 0.83,331 1,332 0.9,333 1,334 1,335 1,336 0.96,337 68.5,338 446,339 4.433,340 4.688,341 6.999,342 4.226,343 3.308,344 4.091,345 3.389,346 11.919,347 3.047,348 4.33,349 3.695,350 6.44,351 4.07,352 3.123,353 3.532,354 1.975,355 10.109,356 2.954,357 4.007,358 3.676,359 6.119,360 3.793,361 2.82,362 3.263,363 1.26,364 8.92,365 2.741,366 3.824,367 3.177,368 5.978,369 3.599,370 2.649,371 3.167,372 0.86,373 8.446,374 2.523,375 3.734,376 2.885,377 5.682,378 3.395,379 2.406,380 2.961,381 0.86,382 7.372,383 2.368,384 3.535,385 2.716,386 5.295,387 3.255,388 2.274,389 2.609,390 0.245,391 6.78,392 2.203,393 3.093,394 2.575,395 4.717,396 2.698,397 1.771,398 2.285,400 5.118,401 1.628,402 2.876,403 2.379,404 4.369,405 2.474,406 1.504,407 2.03,409 4.142,410 1.459,411 2.535,412 2.096,413 3.943,414 2.396,415 1.415,416 1.524,418 3.073,419 1.372,420 2.5,421 1.651,422 3.81,423 2,424 1.136,425 1.5,427 2.841,428 1,429 2.237,430 1.514,431 3.802,432 2,433 1,434 1.204,436 2.52,437 0.983,438 2.223,439 1.077,440 3.653,441 1.984,442 1,443 1.127,445 2.372,446 0.973,447 2,448 1.054,449 3.264,450 1.938,451 0.978,452 1,454 2.136,455 0.905,456 1.473,457 1,458 3.247,459 1.211,460 0.364,461 0.392,463 0.491,464 0.305,465 1.388,466 0.829,467 2.887,468 1.122,469 0.241,470 0.271,472 0.458,473 0.209,474 15.567,475 0.486,476 0.855,477 0.027,478 35,479 1.094,480 15,481 0.469,482 20,483 0.625,484 35.129,485 1.098,486 36.333,487 0.551,488 25.841,489 0.808,490 6.554,491 0.205,492 8.849,493 0.277,494 0.139,495 0.026,496 0.289,501 0.837,502 1.303,503 0.841,504 1.098,505 0.728,506 1.056,507 1.16,508 0.929,509 0.991,510 0.886,511 0.742,512 0.89,513 0.925,514 1.205,515 1.132,516 1.209,517 1.066,518 1.18,519 0.848,520 1.059,521 0.952,522 1.047,523 0.967,524 1.03,525 1.028,526 0.894,527 0.864,528 0.885,529 1.087,530 0.903,531 1.075,532 1.065,533 1.188,534 1.129,535 1.401,536 1.091,537 0.738,538 1.041,539 1.199,540 1.157,541 1.122,542 1.079,543 0.851,544 0.935,545 0.899,546 0.957,547 0.89,548 0.86,549 8,550 0.253,551 4,552 2.417,553 2.294,554 1.126,555 0.818,556 0.539,557 0.351,558 0.24,559 15562,560 35355,561 2.056,562 51.5,564 24,567 1,568 2,569 7,572 1.74,573 1.91,574 3.76,575 -0.403,582 95.745,583 1.451,584 3.385,585 4.792,586 5.12,587 5.192,588 5.222,589 3.257,590 4.015,591 4.971,592 3.94,593 1954.23,594 8.667,595 29614.8,600 398.93,601 1.574,602 4.918,603 0.229,604 0.009,605 0.08,606 0.047,607 0.05,608 0.026,609 0.021,610 0.017,611 0.011,612 0.008,613 0.498,614 0.33,615 1,616 0.825,617 171.003,618 -0.015,619 -0.111,620 0.076,621 -0.005,622 -0.034,623 0.015,624 -0.136,625 0.212,626 0.042,627 0.171,628 -0.031,629 0.122,630 0.006,631 -0.135,632 -0.104,633 -0.144,634 -0.046,635 -0.16,636 0.055,637 -0.086,638 0.013,639 -0.073,640 0.077,641 -0.044,642 -0.003,643 0.054,644 0.092,645 0.055,646 -0.039,647 0.063,648 -0.094,649 -0.064,650 -0.113,651 -0.085,652 -0.101,653 -0.095,654 0.145,655 -0.073,656 -0.084,657 -0.094,658 0.057,659 -0.078,660 0.034,661 0.003,662 0.105,663 0.019,664 0.091,665 0.12,666 1.888,667 5.997,668 0.656,669 37.48,670 0.993,671 1.123,672 -0.544,673 0.295,674 0.652,675 3.584,676 3.932,677 4.19,678 4.431,679 4.663,680 4.736,681 4.812,682 4.956,683 4.898,684 4.883,685 8.118,686 0.602,687 456.68,688 3.584,689 5.142,690 5.994,691 6.882,692 7.752,693 8.644,694 9.52,695 10.414,696 11.294,697 12.189,698 1.5,712 1,715 7,720 5,722 12,739 2,741 66,743 13,744 2,745 35,747 69,748 26,749 12,750 5,751 7,756 4,757 5,767 4,768 1,770 6,772 13,773 13,774 1,777 1,782 1,786 1,793 34,794 4,795 1,796 6,797 1,802 1,803 1,807 1,808 0.75,809 4,811 1,828 1,829 3,832 1,841 1,857 1,859 3,860 1,862 1,864 3,868 32,875 1,876 7,878 2,879 1,880 3,883 1,893 6.1,894 1,896 1,898 2,901 16.75,902 12.45,903 7.069,904 4.053,907 1.962,908 1.25,909 0.913,910 7.383,911 9.821,912 3.761,913 4.29,914 4.754,915 5.218,916 5.697,917 5.791,918 5.974,919 6.228,920 6.192,921 6.138,922 1,923 51,924 11.97,926 5.134,927 0.026,929 7.62,931 23.443,933 19.986,936 2.12,937 67.833,941 388.446,942 168.713,945 89.828,947 32.22,948 136.494,949 478.274,951 30.162,952 16.455,953 109.017,954 30.278,955 40.409,957 420.666,959 388.446,960 136.494,961 89.828,962 32.22,964 306.049,965 129.542,966 42.683,968 16.455,969 120.038,971 32.22,972 388.446,973 89.828,974 168.713,977 388.446,978 72.217,979 96.496,981 89.828,982 388.446,983 89.828,984 168.713,986 0.585,987 0.347,988 0.181,989 0.101,990 24,991 11,992 0.116,993 8,994 1,995 1.095,996 4.336,997 286.836,998 0.095,999 21,1000 152,1001 1,1005 23.469,1006 10.066,1007 5.462,1009 89.828,1010 14.533,1015 4.925,1017 42.683,1018 646.988,1019 42,1024 12.997,1028 0.142,1031 65.567,1032 74.107,1034 0.24,1035 0.56,1036 0.793,1037 0.847,1038 0.859,1039 0.864,1040 5.037,1041 1.504,1042 6.014,1043 5.118,1044 4.615,1045 4.977,1046 3.564,1047 6.86,1048 4.518,1049 6.228,1050 1.415,1051 7.602,1052 4.142,1053 4.369,1054 4.808,1055 2.219,1056 8.005,1057 4.197,1058 7.54,1059 1.136,1060 9.295,1061 3.073,1062 6.293,1063 7.045,1064 5.635,1065 11.004,1066 6.096,1067 8.882,1068 1,1069 11.048,1070 2.841,1071 6.847,1072 7.631,1073 4.214,1074 12.942,1075 6.55,1076 10.254,1077 1,1078 12.841,1079 2.52,1080 8.275,1081 9.406,1082 7.988,1083 15.521,1084 7.953,1085 11.644,1086 0.978,1087 14.66,1088 2.372,1089 9.167,1090 10.336,1091 6.602,1092 17.764,1093 8.741,1094 13.049,1095 0.364,1096 16.497,1097 2.136,1098 10.417,1099 11.922,1100 10.394,1101 20.233,1102 9.952,1103 3.308,1104 0.241,1105 18.349,1106 0.491,1107 11.459,1108 13.04,1109 9.161,1110 22.599,1111 10.894,1112 3.123,1113 11.919,1114 20.212,1115 0.458,1116 12.646,1117 14.536,1118 12.812,1119 25.046,1120 12.027,1121 2.82,1122 10.109,1123 22.085,1124 4.091,1125 13.755,1126 15.765,1127 11.751,1128 27.465,1129 13.043,1130 2.649,1131 8.92,1132 23.965,1133 3.532,1134 14.924,1135 17.213,1136 15.235,1137 29.914,1138 14.145,1139 2.406,1140 8.446,1141 25.852,1142 3.263,1143 16.065,1144 18.511,1145 14.332,1146 32.358,1147 15.198,1148 2.274,1149 7.372,1150 27.744,1151 3.167,1152 17.231,1153 19.935,1154 17.659,1155 34.814,1156 16.29,1157 1.771,1158 6.78,1159 29.642,1160 2.961,1161 18.388,1162 21.275,1163 16.895,1164 37.27,1165 17.362,1166 14796,1167 22490,1168 23.057,1169 43.034,1170 52.425,1171 55.806,1172 54.693,1173 52.087,1174 52.149,1175 62.097,1176 17.178,1177 153.858,1178 49.508,1179 5.433,1180 6.688,1181 6.801,1182 5.344,1183 5.308,1184 7.091,1185 6.716,1186 18.703,1187 5.047,1188 16.874,1189 1.498,1190 1.594,1191 1.563,1192 1.488,1193 1.49,1194 1.774,1195 0.491,1196 4.396,1197 1.415,1198 4.043,1199 4.09,1200 4.138,1201 3.981,1202 7.426,1203 3.955,1204 3.972,1205 3.991,1206 3.917,1207 3.888,1208 6.448,1209 3.882,1210 3.842,1211 3.88,1212 3.748,1213 3.747,1214 4.922,1215 3.742,1216 3.661,1217 3.694,1218 3.623,1219 3.503,1220 4.756,1221 3.509,1222 3.461,1223 3.506,1224 3.428,1225 3.294,1226 4.495,1227 3.288,1228 3.261,1229 3.322,1230 3.147,1231 3.063,1232 4.353,1233 3.061,1234 3.246,1235 3.312,1236 3.066,1237 2.958,1238 4.332,1239 2.962,1240 3.111,1241 3.206,1242 2.894,1243 2.941,1244 3.87,1245 2.91,1246 0.127,1247 0.134,1248 0.2,1249 0.121,1250 0.095,1251 4.433,1252 0.117,1253 4.688,1254 0.097,1255 6.999,1256 0.341,1257 4.226,1258 0.087,1259 3.308,1260 4.091,1261 3.389,1262 11.919,1263 3.047,1264 1.971,1265 1.925,1266 2.139,1267 2.14,1268 1.534,1269 2.144,1270 1.87,1271 1.859,1272 2.01,1273 1.969,1274 1.23,1275 1.979,1276 1.851,1277 1.813,1278 1.951,1279 1.954,1280 1.171,1281 1.958,1282 1.646,1283 1.614,1284 1.809,1285 1.823,1286 1.056,1287 1.827,1288 1.424,1289 1.367,1290 1.654,1291 1.621,1292 0.935,1293 1.641,1294 1.226,1295 1.166,1296 1.575,1297 1.523,1298 0.825,1299 1.539,1300 1.191,1301 1.119,1302 1.558,1303 1.489,1304 0.742,1305 1.516,1306 1.153,1307 1.065,1308 1.513,1309 1.376,1310 0.576,1311 1.429,1312 4.263,1314 5.602,1315 2.398,1316 7.133,1317 4.727,1318 8.746,1319 6.843,1320 10.401,1322 5.547,1327 10.869,1328 5.943,1330 10.785,1331 1.583,1332 -0.49,1335 0.999,1340 39.76,1341 95.745,1342 223.416,1343 316.259,1344 337.91,1345 342.665,1346 344.665,1347 72.782,1348 7.859,1349 55.76,1350 81.06,1351 23,1352 12.717,1353 3.807,1354 3,1355 52.235,1356 158,1357 150,1358 0.16,1359 245.48,1360 434.63,1361 590.731,1362 30868,1364 22.717,1365 0.71,1366 0.629,1367 23.071,1368 20.12,1369 15.403,1370 0.44,1371 0.356,1372 11.479,1373 14.375,1374 11.043,1375 9.147,1376 15.811,1377 12.448,1378 14.106,1379 0.282,1380 0.218,1381 14.748,1382 10.918,1383 11.901,1384 0.183,1385 0.133,1386 12.738,1387 8.614,1388 9.633,1389 0.116,1390 0.078,1391 10.495,1392 6.503,1393 7.767,1394 0.074,1395 0.047,1396 8.613,1397 4.942,1398 0.259,1399 100.667,1400 0.208,1401 30.429,1402 0.419,1403 170,1404 430.55,1405 208.03,1406 427.346,1407 575.85,1408 402,1409 200,1410 391.372,1411 237.846,1412 413.662,1413 602.85,1414 386,1415 6.721}
{0 CHEMBL187812,1 1.461,2 11.536,3 2.828,4 7.996,5 113.455,6 7.118,7 0.516,8 4.113,9 4.221,10 3.69,11 3.677,12 5.113,13 3.618,14 4.691,15 4.865,16 4.088,17 4.121,18 5.582,19 4.039,20 4.969,21 5.15,22 4.177,23 4.338,24 5.855,25 4.201,26 5.171,27 5.417,28 4.19,29 4.372,30 5.982,31 4.204,32 5.121,33 5.357,34 4.037,35 4.295,36 5.976,37 4.131,38 5.017,39 5.272,40 3.91,41 4.248,42 5.799,43 4.052,44 4.946,45 5.195,46 3.73,47 4.096,48 5.77,49 3.898,50 4.731,51 4.983,52 3.657,53 3.832,54 5.625,55 3.686,56 0.047,57 0.758,58 13.422,59 5.928,60 11.882,61 7.498,62 0.264,63 1.306,64 26.454,65 9.981,66 21.513,67 12.645,68 0.377,69 1.691,70 36.471,71 14.466,72 30.547,73 18.293,74 0.359,75 1.974,76 48.446,77 17.52,78 41.456,79 22.498,80 0.484,81 1.835,82 46.27,83 16.103,84 54.063,85 20.484,86 0.201,87 1.707,88 38.9,89 15.409,90 35.449,91 20.374,92 0.282,93 1.544,94 40.133,95 14.516,96 41.065,97 18.207,98 0.5,99 1.184,100 28.594,101 10.156,102 46.895,103 13.382,104 21,105 45,106 0.241,107 0.555,108 0.754,109 0.831,110 0.845,111 0.851,112 3.375,113 1.036,114 -0.58,115 -0.71,116 -0.84,121 41.1,123 1,124 1,126 3,127 3,129 1,144 8,145 2,146 2,154 2,176 9,180 2,185 1,187 13,189 2,191 1,192 3,197 1,199 1,200 9,203 3,206 3,211 2,214 4,216 2,219 2,224 2,227 5,229 3,232 2,237 4,239 4,241 1,244 2,249 2,251 5,253 2,259 2,261 1,264 6,271 2,277 8,281 1196,282 18.98,283 18.98,284 18.98,285 18.98,286 18.98,287 17.144,288 21.623,289 10.942,290 19.652,291 15.191,292 15.191,293 15.191,294 15.191,295 15.191,296 12.314,297 26.236,298 5.048,299 16.155,300 4.346,301 2.441,302 1.232,303 0.768,304 0.683,305 0.648,306 4.069,311 1,312 1,313 701,314 3.162,317 62.179,318 269.591,321 119.018,325 1.964,326 19.955,329 1,330 1,331 1,332 0.9,333 0.5,334 1,335 1,336 0.91,337 59.5,338 323,339 4.566,340 3.713,341 7.038,342 4.276,343 3.352,344 4.494,345 1.26,346 12.086,347 3.103,348 4.358,349 3.304,350 6.523,351 4.061,352 3.121,353 3.559,354 0.86,355 10.339,356 2.927,357 4.054,358 3.135,359 6.271,360 3.767,361 2.816,362 3.512,363 0.86,364 9.421,365 2.674,366 3.823,367 2.665,368 5.866,369 3.431,370 2.472,371 3.199,372 0.245,373 8.042,374 2.384,375 3.657,376 2.551,377 5.301,378 3.338,379 2.37,380 2.872,382 6.793,383 2.256,384 3.178,385 2.215,386 4.921,387 2.699,388 1.771,389 2.471,391 5.186,392 1.63,393 2.956,394 2.022,395 4.717,396 2.652,397 1.727,398 2.073,400 5.118,401 1.579,402 2.855,403 1.534,404 4.093,405 2.433,406 1.437,407 1.968,409 3.178,410 1.43,411 2.5,412 1.427,413 3.943,414 2.154,415 1.192,416 1.5,418 3.059,419 1.137,420 2.399,421 1.263,422 3.709,423 2,424 1.136,425 1.376,427 2.841,428 1,429 2.28,430 1.002,431 3.324,432 1.983,433 1,434 1.27,436 2.136,437 0.945,438 1.554,439 1,440 3.247,441 1.231,442 0.377,443 0.408,445 0.555,446 0.317,447 1.494,448 0.518,449 3.016,450 1.13,451 0.241,452 0.311,454 0.458,455 0.209,456 1.263,457 0.36,458 2.887,459 1.076,460 0.134,461 0.146,463 0.343,464 0.127,465 0.996,466 0.198,467 2.749,468 0.776,469 -0.175,470 -0.196,472 -0.45,473 -0.165,474 13.733,475 0.49,476 0.749,477 0.027,478 32.75,479 1.17,480 15,481 0.536,482 17.75,483 0.634,484 27.951,485 0.998,486 30.967,487 0.553,488 23.202,489 0.829,490 6.381,491 0.228,492 7.128,493 0.255,494 0.133,495 0.029,496 0.291,501 0.933,502 1.264,503 0.818,504 1.039,505 0.956,506 1.001,507 1.354,508 0.805,509 0.9,510 0.73,511 0.924,512 0.78,513 0.846,514 1.18,515 1.15,516 1.182,517 1.007,518 1.172,519 0.793,520 1.064,521 1.006,522 1.102,523 0.877,524 1.004,525 1.257,526 1.029,527 1.168,528 1.081,529 1.565,530 1.033,531 0.501,532 1.088,533 0.975,534 1.098,535 0.637,536 1.086,537 0.936,538 1.174,539 1.324,540 1.298,541 1.279,542 1.142,543 1.108,544 0.847,545 0.789,546 0.773,547 0.989,548 0.856,549 7,550 0.126,551 3.333,552 2.604,553 1.925,554 1.202,555 0.651,556 0.612,557 0.222,558 0.234,559 9998,560 22863,561 2.085,562 50,564 24,567 1,568 1,569 2,572 1.708,573 1.942,574 3.496,575 -0.394,576 1,577 1,582 81.809,583 1.461,584 3.366,585 4.575,586 5.039,587 5.124,588 5.16,589 2.985,590 4.164,591 4.775,592 3.657,593 1382.34,594 8.295,595 18083.7,597 1,599 1,600 325.212,601 1.572,602 4.728,603 0.226,604 0.007,605 0.074,606 0.057,607 0.045,608 0.032,609 0.019,610 0.022,611 0.009,612 0.01,613 0.5,614 0.33,615 1,616 0.845,617 140.733,618 -0.016,619 -0.123,620 0.081,621 -0.005,622 -0.074,623 0.015,624 -0.18,625 0.313,626 0.082,627 0.262,628 -0.047,629 0.189,630 0.067,631 -0.114,632 -0.118,633 -0.123,634 -0.025,635 -0.165,636 0.046,637 -0.068,638 0.065,639 -0.063,640 0.072,641 -0.004,642 -0.116,643 -0.048,644 -0.095,645 -0.059,646 -0.175,647 -0.055,648 0.042,649 -0.108,650 -0.009,651 -0.089,652 0.067,653 -0.07,654 -0.033,655 -0.197,656 -0.167,657 -0.208,658 -0.078,659 -0.135,660 0.181,661 0.084,662 0.115,663 0.116,664 0.212,665 0.085,666 1.667,667 5.004,668 0.75,669 28.388,670 0.993,671 1.119,672 -0.647,673 0.419,674 0.666,675 3.466,676 3.829,677 4.111,678 4.407,679 4.635,680 4.771,681 4.89,682 5.075,683 5.147,684 5.193,685 6.739,686 0.615,687 398.59,688 3.466,689 5.03,690 5.894,691 6.799,692 7.68,693 8.591,694 9.479,695 10.392,696 11.285,697 12.201,698 1.8,712 1,714 2,715 8,719 1,720 4,722 16,739 2,741 56,743 16,744 2,745 31,747 59,748 23,749 14,750 5,751 7,756 4,757 5,767 2,768 1,770 2,772 14,773 9,774 1,790 1,793 28,794 3,795 1,796 5,797 1,802 1,803 1,807 1,808 0.75,809 3,811 1,828 1,829 3,832 1,857 1,859 3,862 1,864 3,868 28,875 1,876 4,878 2,880 2,883 1,888 1,893 5.4,894 1,898 2,901 14.417,902 10.783,903 6.153,904 3.331,907 2.851,908 1.369,909 0.934,910 5.634,911 10.589,912 3.689,913 4.301,914 4.876,915 5.479,916 6.004,917 6.328,918 6.716,919 7.091,920 7.144,921 7.286,922 0.875,923 46,924 10.402,926 4.427,927 0.026,929 7.536,931 20.456,933 17.375,936 2.036,937 57,940 1,941 317.82,942 164.451,945 64.683,947 31.278,948 133.174,949 382.503,951 30.162,952 8.852,953 118.493,955 38.245,956 2.104,957 349.097,959 317.82,960 133.174,961 64.683,962 31.278,964 294.278,965 45.542,966 42.683,968 8.852,969 124.322,971 31.278,972 317.82,973 64.683,974 164.451,977 317.82,978 58.479,979 105.972,981 64.683,982 317.82,983 64.683,984 164.451,986 0.585,987 0.349,988 0.193,989 0.104,990 23,991 10,992 0.085,993 5,994 1,995 1.095,996 3.935,997 248.631,998 0.095,999 21,1000 130.606,1001 1,1005 19.683,1006 8.014,1007 4.076,1008 2.323,1009 64.683,1010 16.85,1014 1.758,1015 4.079,1017 42.683,1018 546.954,1019 39,1031 55.589,1032 62.652,1034 0.252,1035 0.58,1036 0.788,1037 0.868,1038 0.882,1039 0.888,1040 4.956,1041 1.437,1042 5.922,1043 5.118,1044 4.511,1045 4.987,1046 1.86,1047 6.795,1048 4.393,1049 6.176,1050 1.192,1051 7.522,1052 3.178,1053 4.29,1054 4.879,1055 0.931,1056 7.98,1057 4.083,1058 7.507,1059 1.136,1060 9.228,1061 3.059,1062 6.213,1063 7.202,1064 1.793,1065 11.009,1066 5.978,1067 8.871,1068 1,1069 10.996,1070 2.841,1071 6.792,1072 7.893,1073 1.381,1074 12.981,1075 6.447,1076 10.265,1077 0.377,1078 12.804,1079 2.136,1080 8.225,1081 9.729,1082 1.909,1083 15.591,1084 7.854,1085 11.679,1086 0.241,1087 14.638,1088 0.555,1089 9.145,1090 10.807,1091 1.783,1092 17.859,1093 8.663,1094 13.11,1095 0.134,1096 16.491,1097 0.458,1098 10.405,1099 12.444,1100 2.152,1101 20.352,1102 9.882,1103 3.352,1104 -0.175,1105 18.358,1106 0.343,1107 11.471,1108 13.724,1109 2.192,1110 22.737,1111 10.847,1112 3.121,1113 12.086,1114 20.236,1115 -0.45,1116 12.672,1117 15.275,1118 2.484,1119 25.203,1120 11.992,1121 2.816,1122 10.339,1123 22.123,1124 4.494,1125 13.803,1126 16.662,1127 2.615,1128 27.636,1129 13.03,1130 2.472,1131 9.421,1132 24.016,1133 3.559,1134 14.986,1135 18.178,1136 2.871,1137 30.101,1138 14.147,1139 2.37,1140 8.042,1141 25.916,1142 3.512,1143 16.146,1144 19.621,1145 3.05,1146 32.557,1147 15.22,1148 1.771,1149 6.793,1150 27.82,1151 3.199,1152 17.328,1153 21.123,1154 3.291,1155 35.027,1156 16.329,1157 1.727,1158 5.186,1159 29.729,1160 2.872,1161 18.502,1162 22.594,1163 3.495,1164 37.496,1165 17.421,1166 9531,1167 14541,1168 20.572,1169 37.296,1170 46.648,1171 46.856,1172 48.454,1173 46.267,1174 46.293,1175 58.319,1176 6.45,1177 139.107,1178 43.438,1179 5.566,1180 5.713,1181 6.839,1182 5.4,1183 5.352,1184 7.494,1185 2.12,1186 19.241,1187 5.103,1188 13.664,1189 1.505,1190 1.511,1191 1.563,1192 1.492,1193 1.493,1194 1.881,1195 0.208,1196 4.487,1197 1.401,1198 4.116,1199 4.132,1200 4.341,1201 4.122,1202 6.449,1203 4.073,1204 3.973,1205 4.01,1206 3.903,1207 3.878,1208 4.973,1209 3.874,1210 3.816,1211 3.857,1212 3.726,1213 3.697,1214 4.755,1215 3.698,1216 3.518,1217 3.549,1218 3.575,1219 3.384,1220 4.551,1221 3.373,1222 3.308,1223 3.364,1224 3.193,1225 3.115,1226 4.496,1227 3.11,1228 3.249,1229 3.314,1230 3.076,1231 2.967,1232 4.293,1233 2.97,1234 3.148,1235 3.222,1236 2.941,1237 2.945,1238 3.871,1239 2.931,1240 2.997,1241 3.073,1242 2.899,1243 2.835,1244 3.674,1245 2.814,1246 0.147,1247 0.12,1248 0.227,1249 0.138,1250 0.108,1251 4.566,1252 0.145,1253 3.713,1254 0.041,1255 7.038,1256 0.39,1257 4.276,1258 0.1,1259 3.352,1260 4.494,1261 1.26,1262 12.086,1263 3.103,1264 1.966,1265 1.924,1266 2.119,1267 2.131,1268 1.5,1269 2.133,1270 1.908,1271 1.902,1272 1.995,1273 1.987,1274 1.163,1275 1.984,1276 1.837,1277 1.802,1278 1.953,1279 1.941,1280 1.138,1281 1.96,1282 1.498,1283 1.458,1284 1.676,1285 1.652,1286 0.935,1287 1.676,1288 1.237,1289 1.185,1290 1.577,1291 1.525,1292 0.776,1293 1.541,1294 1.201,1295 1.141,1296 1.566,1297 1.507,1298 0.598,1299 1.529,1300 1.146,1301 1.076,1302 1.477,1303 1.4,1304 0.578,1305 1.427,1306 1.136,1307 1.069,1308 1.37,1309 1.282,1310 0.561,1311 1.343,1312 4.143,1314 5.493,1315 2.398,1316 7.041,1317 4.727,1318 8.678,1319 6.843,1320 10.361,1322 5.578,1327 11.004,1328 3.801,1330 10.866,1332 -0.143,1335 0.883,1340 34.465,1341 81.809,1342 188.501,1343 256.192,1344 282.192,1345 286.947,1346 288.947,1347 47.305,1348 7.738,1349 38.69,1350 66.93,1351 23,1352 12.716,1353 4.087,1354 3.17,1355 42.575,1356 113,1357 112,1358 0.186,1359 212.707,1360 363.04,1361 510.764,1362 23790,1364 19.725,1365 0.704,1366 0.628,1367 20.079,1368 17.59,1369 13.509,1370 0.436,1371 0.345,1372 9.805,1373 12.55,1374 9.407,1375 7.823,1376 13.918,1377 10.703,1378 12.462,1379 0.277,1380 0.209,1381 13.105,1382 9.399,1383 10.543,1384 0.176,1385 0.122,1386 11.33,1387 7.336,1388 9.153,1389 0.113,1390 0.072,1391 10.112,1392 5.864,1393 7.15,1394 0.07,1395 0.042,1396 8.01,1397 4.313,1398 0.293,1399 88.727,1400 0.22,1401 26.767,1402 0.508,1403 152,1404 370.814,1405 187.926,1406 374.823,1407 516.28,1408 354,1409 181,1410 360.078,1411 216.52,1412 386.104,1413 564.17,1414 360,1415 4.709}
{0 CHEMBL187818,1 1.576,2 14.774,3 4.994,4 24.938,5 122.348,6 7.832,7 0.529,8 4.115,9 4.212,10 3.766,11 3.72,12 5.22,13 3.675,14 4.658,15 4.809,16 4.136,17 4.125,18 5.704,19 4.052,20 4.871,21 5.035,22 4.199,23 4.25,24 5.961,25 4.149,26 4.945,27 5.147,28 4.063,29 4.213,30 5.943,31 4.085,32 4.941,33 5.177,34 3.997,35 4.146,36 5.864,37 4.013,38 4.818,39 5.023,40 3.908,41 4.095,42 5.857,43 3.952,44 4.786,45 5.026,46 3.791,47 4.004,48 5.776,49 3.83,50 4.638,51 4.884,52 3.653,53 3.808,54 5.623,55 3.689,56 0.017,57 0.794,58 11.171,59 5.789,60 7.306,61 6.835,62 0.225,63 1.332,64 23.863,65 10.059,66 26.191,67 11.58,68 0.384,69 1.65,70 31.996,71 12.944,72 48.027,73 14.862,74 0.34,75 1.681,76 35.448,77 13.808,78 52.01,79 16.566,80 0.4,81 1.581,82 36.707,83 13.533,84 46.134,85 16.922,86 0.412,87 1.504,88 31.813,89 12.312,90 53.819,91 14.614,92 0.469,93 1.412,94 33.628,95 12.678,96 58.483,97 15.838,98 0.301,99 1.259,100 27.326,101 9.919,102 41.744,103 12.446,104 21,105 47,106 0.258,107 0.561,108 0.737,109 0.824,110 0.829,111 0.835,112 3.471,113 0.988,114 -5.1,115 -4.99,116 -4.68,121 44.6,123 3,126 2,127 1,129 1,144 8,145 3,146 4,147 2,158 1,176 10,180 3,187 13,189 3,191 1,192 6,200 9,203 3,206 5,214 5,216 3,219 6,227 10,229 1,239 14,243 2,244 2,246 1,251 9,256 2,264 8,266 2,269 3,277 2,279 1,281 1679,282 21.151,283 21.151,284 21.151,285 21.151,286 21.151,287 18.797,288 26.267,289 12.349,290 21.798,291 16.658,292 16.658,293 16.658,294 16.658,295 16.658,296 12.953,297 29.679,298 5.751,299 17.551,300 4.231,301 2.381,302 1.304,303 0.777,304 0.741,305 0.706,306 4.168,311 1,312 1,313 991,314 3.536,317 77.402,318 329.259,321 146.75,325 2.377,326 29.478,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 67,338 458,339 4.433,340 4.688,341 6.437,342 4.067,343 3.12,344 4.091,345 3.389,346 10.099,347 2.95,348 4.11,349 3.68,350 6.068,351 3.732,352 2.764,353 3.707,354 1.975,355 8.762,356 2.682,357 3.99,358 3.174,359 5.709,360 3.684,361 2.726,362 3.551,363 0.86,364 7.824,365 2.622,366 3.936,367 2.997,368 5.627,369 3.517,370 2.541,371 3.252,372 0.86,373 7.466,374 2.478,375 3.652,376 2.832,377 5.354,378 3.297,379 2.332,380 2.931,381 0.522,382 6.983,383 2.228,384 3.523,385 2.763,386 5.079,387 3.156,388 2.201,389 2.819,391 6.217,392 2.076,393 3.264,394 2.611,395 4.784,396 2.84,397 1.892,398 2.534,400 5.382,401 1.778,402 3.093,403 2.379,404 4.717,405 2.698,406 1.771,407 2.285,409 5.118,410 1.628,411 2.5,412 2.124,413 4.113,414 2.241,415 1.279,416 1.5,418 3.482,419 1.208,420 2.5,421 2.096,422 3.943,423 2,424 1.136,425 1.5,427 2.841,428 1,429 2.473,430 1.121,431 3.414,432 1.984,433 1,434 1.429,436 2.275,437 0.983,438 2.223,439 1.054,440 3.414,441 1.983,442 1,443 1.204,445 2.275,446 0.946,447 1.847,448 1,449 3.125,450 1.568,451 0.56,452 0.668,454 1.307,455 0.556,456 1.476,457 1,458 2.887,459 1.212,460 0.361,461 0.391,463 0.509,464 0.304,465 1.458,466 0.823,467 2.857,468 1.152,469 0.241,470 0.271,472 0.458,473 0.209,474 15.019,475 0.484,476 0.708,477 0.023,478 39.25,479 1.266,480 20,481 0.645,482 19.25,483 0.621,484 26.93,485 0.869,486 33.281,487 0.594,488 29.013,489 0.936,490 7.762,491 0.25,492 7.288,493 0.235,494 0.108,496 0.326,499 1,501 0.663,502 1.05,503 0.726,504 0.991,505 0.528,506 0.94,507 0.994,508 0.886,509 0.943,510 0.884,511 0.642,512 0.855,513 0.952,514 1.102,515 1.162,516 1.188,517 1.065,518 1.129,519 0.924,520 1.037,521 1.122,522 1.177,523 1.013,524 1.158,525 0.816,526 0.775,527 0.909,528 0.918,529 0.556,530 0.914,531 0.989,532 0.898,533 1.208,534 1.099,535 1.186,536 1.125,537 0.443,538 0.935,539 1.104,540 1.138,541 0.615,542 1.051,543 0.958,544 0.967,545 0.891,546 0.919,547 0.933,548 0.882,549 7,550 0.204,551 3.333,552 1.667,553 1.934,554 0.883,555 0.682,556 0.477,557 0.184,558 0.177,559 15305,560 42935,561 2.084,562 44.6,563 2,564 17,566 2,568 2,569 2,572 1.729,573 1.958,574 3.83,575 -0.799,582 88.264,583 1.576,584 3.426,585 4.503,586 5.03,587 5.066,588 5.102,589 3.3,590 4.156,591 4.925,592 4.014,593 1866.48,594 8.558,595 28540.1,597 1,600 325.212,601 1.383,602 4.888,603 0.206,604 0.009,605 0.071,606 0.035,607 0.048,608 0.023,609 0.02,610 0.016,611 0.007,612 0.007,613 0.442,614 0.17,615 1,616 0.796,617 165.886,618 -0.006,619 -0.077,620 0.069,621 -0.013,622 -0.01,623 0.009,624 -0.111,625 0.082,626 0.036,627 0.137,628 -0.011,629 0.101,630 -0.015,631 -0.094,632 -0.123,633 -0.135,634 -0.07,635 -0.156,636 -0.067,637 -0.125,638 -0.124,639 -0.172,640 -0.097,641 -0.171,642 -0.026,643 0.029,644 0.078,645 0.053,646 0.039,647 0.087,648 -0.075,649 0.034,650 -0.163,651 -0.069,652 -0.107,653 -0.135,654 0.237,655 -0.074,656 0.012,657 -0.064,658 0.163,659 -0.01,660 -0.025,661 0.004,662 0.084,663 0.044,664 0.032,665 0.121,666 1.893,667 5.813,668 0.677,669 38.187,670 1.004,671 1.117,672 3.867,673 14.955,674 0.687,675 3.555,676 3.871,677 4.127,678 4.357,679 4.605,680 4.644,681 4.745,682 4.868,683 4.82,684 4.804,685 8.516,686 0.649,687 438.58,688 3.555,689 5.094,690 5.938,691 6.806,692 7.667,693 8.538,694 9.407,695 10.281,696 11.154,697 12.031,698 1.8,708 1,715 10,720 7,721 1,722 18,739 2,740 1,741 56,743 19,744 2,745 34,747 59,748 25,749 17,750 6,751 6,756 4,757 5,767 2,770 4,772 18,773 7,777 1,782 1,786 1,791 1,793 25,794 4,796 6,797 1,802 1,803 1,808 0.75,809 3,822 1,828 1,829 3,832 1,841 1,859 3,860 1,862 1,864 2,866 1,868 31,876 4,878 2,879 1,880 1,892 1,893 5.4,896 1,898 2,901 15.833,902 10.726,903 6.917,904 3.286,907 3.198,908 1.406,909 0.977,910 6.937,911 11.067,912 3.807,913 4.388,914 4.911,915 5.412,916 5.966,917 6.061,918 6.298,919 6.633,920 6.788,921 6.954,922 0.9,923 47,924 11.501,926 4.88,927 0.026,929 7.774,931 22.06,933 18.191,936 2.274,937 70.5,940 1,941 294.278,942 193.449,943 1.899,945 47.145,946 14.96,947 32.22,948 161.229,949 341.422,950 16.859,951 21.766,952 9.709,953 75.81,954 55.72,955 70.81,956 14.96,957 302.955,959 294.278,960 163.128,961 62.105,962 32.22,964 285.695,965 70.687,968 27.804,969 133.425,970 1.899,971 32.22,972 309.238,973 49.044,974 193.449,977 294.278,978 77.778,979 117.57,981 62.105,982 294.278,983 64.004,984 193.449,986 0.578,987 0.341,988 0.177,989 0.102,990 22,991 10,992 0.136,993 8,994 1,995 1.095,996 4.384,997 267.014,998 0.095,999 21,1000 145.58,1001 1,1005 21.853,1006 9.841,1007 5.283,1009 62.105,1010 18.558,1015 5.58,1016 2.044,1018 551.73,1019 44,1024 12.813,1028 0.266,1031 56.218,1032 62.576,1034 0.271,1035 0.59,1036 0.775,1037 0.866,1038 0.872,1039 0.879,1040 5.04,1041 1.771,1042 5.916,1043 5.382,1044 4.554,1045 5.075,1046 3.508,1047 6.696,1048 4.459,1049 6.236,1050 1.279,1051 7.458,1052 5.118,1053 4.111,1054 4.844,1055 2.036,1056 7.506,1057 3.966,1058 7.534,1059 1.136,1060 9.09,1061 3.482,1062 6.129,1063 7.218,1064 5.625,1065 10.554,1066 5.956,1067 8.864,1068 1,1069 10.774,1070 2.841,1071 6.479,1072 7.742,1073 4.168,1074 12.154,1075 6.242,1076 10.22,1077 1,1078 12.491,1079 2.275,1080 7.955,1081 9.611,1082 7.986,1083 14.711,1084 7.7,1085 11.594,1086 0.56,1087 14.23,1088 2.275,1089 8.675,1090 10.492,1091 6.596,1092 16.666,1093 8.348,1094 12.981,1095 0.361,1096 15.985,1097 1.307,1098 9.928,1099 12.137,1100 10.393,1101 19.047,1102 9.579,1103 3.12,1104 0.241,1105 17.753,1106 0.509,1107 10.836,1108 13.218,1109 9.16,1110 21.174,1111 10.415,1112 2.764,1113 10.099,1114 19.532,1115 0.458,1116 11.994,1117 14.747,1118 12.812,1119 23.491,1120 11.542,1121 2.726,1122 8.762,1123 21.319,1124 4.091,1125 12.999,1126 15.948,1127 11.751,1128 25.704,1129 12.477,1130 2.541,1131 7.824,1132 23.113,1133 3.707,1134 14.12,1135 17.413,1136 15.235,1137 28.001,1138 13.557,1139 2.332,1140 7.466,1141 24.914,1142 3.551,1143 15.176,1144 18.688,1145 14.332,1146 30.257,1147 14.546,1148 2.201,1149 6.983,1150 26.721,1151 3.252,1152 16.286,1153 20.118,1154 17.659,1155 32.551,1156 15.608,1157 1.892,1158 6.217,1159 28.532,1160 2.931,1161 17.37,1162 21.439,1163 16.895,1164 34.829,1165 16.627,1166 14489,1167 24387,1168 22.77,1169 38.472,1170 50.319,1171 54.057,1172 52.111,1173 50.197,1174 50.226,1175 64.718,1176 15.211,1177 142.845,1178 47.649,1179 5.371,1180 6.688,1181 5.978,1182 5.184,1183 5.12,1184 7.091,1185 6.716,1186 16.854,1187 4.95,1188 15.403,1189 1.48,1190 1.59,1191 1.533,1192 1.476,1193 1.477,1194 1.903,1195 0.447,1196 4.201,1197 1.401,1198 4.039,1199 4.074,1200 4.138,1201 3.982,1202 8.201,1203 3.96,1204 3.972,1205 3.988,1206 3.948,1207 3.898,1208 7.426,1209 3.895,1210 3.851,1211 3.883,1212 3.791,1213 3.774,1214 4.922,1215 3.772,1216 3.634,1217 3.661,1218 3.62,1219 3.492,1220 4.797,1221 3.495,1222 3.385,1223 3.435,1224 3.353,1225 3.223,1226 4.594,1227 3.213,1228 3.247,1229 3.313,1230 3.097,1231 3.006,1232 4.495,1233 3.012,1234 3.191,1235 3.246,1236 3.066,1237 2.958,1238 4.334,1239 2.962,1240 3.036,1241 3.117,1242 2.892,1243 2.843,1244 3.939,1245 2.827,1246 0.13,1247 0.138,1248 0.189,1249 0.12,1250 0.092,1251 4.433,1252 0.12,1253 4.688,1254 0.1,1255 6.437,1256 0.297,1257 4.067,1258 0.087,1259 3.12,1260 4.091,1261 3.389,1262 10.099,1263 2.95,1264 1.969,1265 1.932,1266 2.086,1267 2.102,1268 1.285,1269 2.1,1270 1.87,1271 1.859,1272 1.977,1273 1.967,1274 1.194,1275 1.965,1276 1.847,1277 1.819,1278 1.945,1279 1.943,1280 1.133,1281 1.949,1282 1.626,1283 1.599,1284 1.77,1285 1.785,1286 0.984,1287 1.791,1288 1.332,1289 1.273,1290 1.598,1291 1.545,1292 0.834,1293 1.567,1294 1.199,1295 1.144,1296 1.574,1297 1.519,1298 0.582,1299 1.536,1300 1.187,1301 1.111,1302 1.49,1303 1.432,1304 0.575,1305 1.469,1306 1.087,1307 1.026,1308 1.359,1309 1.28,1310 0.552,1311 1.312,1312 4.234,1314 5.549,1315 2.398,1316 7.052,1317 4.727,1318 8.636,1319 6.843,1320 10.264,1322 3.244,1324 13.039,1328 2.646,1330 10.75,1331 1.617,1332 -0.057,1340 36.321,1341 88.264,1342 191.879,1343 252.192,1344 281.702,1345 283.702,1346 285.702,1347 60.453,1348 7.868,1349 39.41,1350 64.71,1351 23,1352 12.57,1353 4.322,1354 3.459,1355 49.947,1356 161,1357 161,1358 0.15,1359 224.307,1360 395.79,1361 539.07,1362 32511,1363 1.8,1364 21.794,1365 0.703,1366 0.597,1367 21.278,1368 18.507,1369 15.05,1370 0.443,1371 0.329,1372 10.243,1373 14.003,1374 9.877,1375 8.169,1376 15.065,1377 11.199,1378 13.363,1379 0.284,1380 0.191,1381 13.383,1382 8.956,1383 11.407,1384 0.187,1385 0.114,1386 11.834,1387 6.953,1388 8.99,1389 0.117,1390 0.067,1391 9.72,1392 5.124,1393 7.638,1394 0.077,1395 0.037,1396 8.158,1397 3.686,1398 0.246,1399 98.671,1400 0.21,1401 29.988,1402 0.381,1403 162,1404 512.511,1405 201.396,1406 483.373,1407 646.42,1408 454,1409 189,1410 440.714,1411 226.597,1412 457.513,1413 664.22,1414 428,1415 8.588}
{0 CHEMBL187870,1 1.41,2 11.92,3 4.295,4 18.447,5 98.697,6 6.3,7 0.222,8 4.075,9 4.206,10 3.497,11 3.546,12 4.996,13 3.503,14 4.691,15 4.895,16 3.833,17 3.96,18 5.588,19 3.878,20 4.977,21 5.226,22 3.891,23 4.114,24 5.761,25 3.994,26 5.024,27 5.286,28 3.856,29 4.071,30 5.848,31 3.953,32 4.918,33 5.165,34 3.739,35 3.964,36 5.854,37 3.842,38 4.811,39 5.072,40 3.571,41 3.807,42 5.691,43 3.683,44 4.659,45 4.908,46 3.371,47 3.629,48 5.601,49 3.514,50 4.492,51 4.743,52 3.328,53 3.542,54 5.41,55 3.432,56 0.042,57 0.761,58 13.643,59 5.429,60 6.727,61 7.674,62 0.403,63 1.231,64 25.771,65 8.955,66 32.969,67 13.121,68 0.377,69 1.482,70 33.784,71 11.711,72 30.866,73 17.238,74 0.442,75 1.459,76 35.786,77 11.455,78 39.533,79 16.999,80 0.593,81 1.305,82 32.555,83 10.246,84 54.081,85 15.105,86 0.343,87 1.144,88 28.984,89 8.878,90 36.81,91 13.285,92 0.512,93 0.96,94 25.504,95 7.177,96 45.14,97 10.631,98 0.253,99 0.864,100 21.062,101 6.419,102 26.717,103 9.665,104 19,105 36,106 0.238,107 0.511,108 0.754,109 0.861,110 0.89,111 0.89,112 3.266,113 1.069,114 -3.88,115 -3.84,116 -3.64,121 36.4,122 1,123 6,124 1,126 1,127 3,129 1,144 3,145 1,146 2,161 1,176 9,179 1,180 6,183 2,185 1,187 7,191 1,192 6,197 1,200 6,205 1,206 6,211 2,214 4,218 2,219 6,222 1,224 3,227 3,232 4,237 2,239 2,243 1,244 4,247 1,249 2,251 3,256 4,261 1,264 4,269 4,277 5,281 1006,282 17.181,283 17.181,284 17.181,285 17.181,286 17.181,287 16.299,288 20.454,289 10.61,290 17.56,291 13.325,292 13.325,293 13.325,294 13.325,295 13.325,296 11.907,297 26.207,298 5.027,299 13.921,300 4.371,301 2.75,302 1.31,303 0.673,304 0.5,305 0.5,306 3.952,311 1,312 1,313 639,314 3.742,317 49.949,318 108.679,321 83.162,322 93.26,325 1.856,326 21.432,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 54,338 298,339 4.496,340 3.697,341 6.945,342 4.24,343 3.277,344 4.082,345 2.186,346 11.722,347 3.158,348 3.948,349 3.537,350 6.238,351 3.716,352 2.775,353 3.104,354 0.916,355 9.242,356 2.609,357 3.604,358 2.978,359 5.283,360 3.271,361 2.319,362 2.765,363 0.86,364 6.511,365 2.183,366 3.141,367 2.264,368 4.993,369 2.892,370 1.932,371 2.296,372 0.366,373 5.626,374 1.861,375 2.977,376 2.169,377 4.828,378 2.836,379 1.867,380 2.108,381 0.172,382 5.13,383 1.807,384 2.843,385 1.901,386 4.228,387 2.742,388 1.772,389 1.85,391 3.751,392 1.696,393 2.81,394 1.802,395 3.826,396 2.447,397 1.489,398 1.837,400 3.594,401 1.423,402 2.431,403 1.574,404 3.762,405 2.383,406 1.391,407 1.422,409 2.741,410 1.375,411 2.126,412 1.323,413 3.404,414 1.968,415 1.027,416 1.101,418 2.531,419 0.959,420 1.858,421 1.033,422 3.295,423 1.776,424 0.8,425 0.833,427 1.832,428 0.777,429 1.832,430 0.979,431 2.941,432 1.706,433 0.764,434 0.797,436 1.422,437 0.713,438 1.26,439 0.702,440 2.604,441 1.115,442 0.158,443 0.164,445 0.299,446 0.15,447 1.163,448 0.33,449 2.491,450 0.87,451 -0.089,452 -0.104,454 -0.2,455 -0.084,456 0.776,457 -0.008,458 2.313,459 0.523,460 -0.419,461 -0.448,463 -1.006,464 -0.392,465 0.659,466 -0.1,467 2.23,468 0.412,469 -0.559,470 -0.593,472 -1.07,473 -0.527,474 11.8,475 0.472,476 0.469,477 0.019,478 24.5,479 0.98,480 8.5,481 0.34,482 16,483 0.64,484 25.498,485 1.02,486 29.6,487 0.538,488 16.313,489 0.653,490 4.212,491 0.168,492 7.991,493 0.32,494 0.113,496 0.288,501 0.815,502 1.53,503 0.945,504 1.351,505 0.602,506 1.188,507 0.819,508 1.12,509 0.996,510 1.089,511 0.488,512 1.061,513 0.838,514 1.095,515 0.907,516 1.069,517 0.65,518 1.005,519 1.184,520 0.989,521 0.932,522 0.953,523 0.98,524 0.914,525 1.257,526 1.01,527 1.059,528 0.999,529 1.308,530 1.006,531 1.377,532 1.081,533 1.026,534 1.024,535 1.499,536 0.983,537 1.932,538 0.837,539 1.262,540 0.846,541 2.286,542 0.948,543 1.392,544 1.074,545 1.057,546 1.004,547 1.815,548 0.982,549 3.5,550 0.078,551 2.444,552 1.66,553 1.178,554 0.639,555 0.383,556 0.293,557 0.177,558 0.096,559 7424,560 13996,561 2.062,562 54.5,563 11,564 13,567 1,569 4,570 1,572 1.676,573 1.948,574 3.467,575 -0.356,577 1,582 77.575,583 1.41,584 3.032,585 4.472,586 5.108,587 5.281,588 5.281,589 2.953,590 4.404,591 4.604,592 3.673,593 1101.86,594 7.946,595 13730.8,597 1,599 1,600 317.975,601 1.323,602 4.583,603 0.13,604 0.006,605 0.068,606 0.045,607 0.034,608 0.021,609 0.015,610 0.015,611 0.009,612 0.006,613 0.348,614 0.5,615 1,616 2.225,617 122.57,618 0.003,619 -0.192,620 0.069,621 -0.096,622 0.013,623 -0.017,624 0.179,625 0.055,626 0.022,627 -0.005,628 0.198,629 -0.011,630 0.087,631 -0.066,632 0.074,633 -0.041,634 0.068,635 0.01,636 -0.018,637 -0.018,638 0.077,639 0.016,640 0.011,641 0.054,642 0.068,643 -0.028,644 -0.027,645 -0.028,646 0.035,647 -0.042,648 -0.094,649 -0.128,650 -0.003,651 -0.076,652 -0.088,653 -0.033,654 -0.216,655 0.119,656 -0.174,657 0.056,658 -0.278,659 -0.044,660 -0.124,661 -0.075,662 -0.027,663 -0.045,664 -0.099,665 -0.024,666 2.061,667 5.08,668 0.52,669 25.907,670 0.992,671 1.135,672 2.653,673 7.038,674 0.619,675 3.332,676 3.611,677 3.892,678 4.19,679 4.394,680 4.489,681 4.635,682 4.787,683 4.779,684 4.7,685 6.791,686 0.574,687 346.52,688 3.332,689 4.844,690 5.687,691 6.561,692 7.434,693 8.326,694 9.215,695 10.117,696 11.016,697 11.925,698 3.6,701 1,705 1,715 3,720 3,722 6,737 1,739 1,741 55,743 7,744 1,745 27,747 57,748 20,749 6,750 3,751 3,756 3,757 6,763 1,767 2,768 1,770 7,772 7,773 13,774 1,777 1,782 1,786 1,790 1,793 30,794 5,795 1,796 5,802 2,808 0.333,809 3,825 1,828 1,829 2,832 1,833 1,855 1,859 1,864 2,868 25,876 9,877 1,878 2,880 2,881 1,893 5.5,896 1,898 2,901 12.833,902 10.117,903 5.722,904 3.846,907 1.347,908 1.186,909 0.932,910 6.6,911 8.608,912 3.466,913 3.902,914 4.353,915 4.863,916 5.317,917 5.511,918 5.797,919 6.099,920 6.191,921 6.192,922 0.875,923 37,924 9.335,926 3.881,927 0.026,929 7.553,931 18.501,933 15.375,936 2.053,937 51.333,939 1,940 1,941 341.362,942 90.096,943 21.135,945 47.145,948 90.096,949 388.507,950 21.135,951 17.222,952 42.022,953 28.429,954 25.145,955 38.797,956 6.763,957 341.362,959 341.362,960 111.231,961 47.145,964 282.506,965 106,968 53.971,969 57.26,972 341.362,973 68.28,974 90.096,977 341.362,978 44.446,979 48.775,980 18.011,981 47.145,982 341.362,983 68.28,984 90.096,986 0.56,987 0.324,988 0.182,989 0.096,990 16,991 7,992 0.14,993 8,994 2,995 1.308,996 3.787,997 197.56,998 0.308,999 13,1000 116.096,1005 18.529,1006 8.906,1007 4.478,1009 68.28,1010 5.853,1015 2.399,1017 18.011,1018 499.738,1019 31,1024 12.08,1028 -0.394,1031 54.556,1032 62.438,1034 0.244,1035 0.524,1036 0.773,1037 0.884,1038 0.913,1039 0.913,1040 4.705,1041 1.391,1042 5.645,1043 3.594,1044 4.29,1045 4.585,1046 2.527,1047 6.457,1048 4.201,1049 5.83,1050 1.027,1051 7.195,1052 2.741,1053 3.761,1054 4.27,1055 1.847,1056 7.405,1057 3.626,1058 7.1,1059 0.8,1060 8.858,1061 2.531,1062 5.855,1063 6.559,1064 3.551,1065 10.574,1066 5.675,1067 8.407,1068 0.764,1069 10.593,1070 1.832,1071 6.236,1072 7.142,1073 3.603,1074 12.447,1075 6.01,1076 9.759,1077 0.158,1078 12.377,1079 1.422,1080 7.756,1081 8.921,1082 4.916,1083 15.129,1084 7.493,1085 11.139,1086 -0.089,1087 14.194,1088 0.299,1089 8.577,1090 9.924,1091 5.291,1092 17.356,1093 8.272,1094 12.543,1095 -0.419,1096 16.037,1097 -0.2,1098 9.87,1099 11.504,1100 6.389,1101 19.882,1102 9.532,1103 3.277,1104 -0.559,1105 17.899,1106 -1.006,1107 10.893,1108 12.706,1109 6.93,1110 22.245,1111 10.516,1112 2.775,1113 11.722,1114 19.774,1115 -1.07,1116 12.103,1117 14.199,1118 7.902,1119 24.722,1120 11.694,1121 2.319,1122 9.242,1123 21.661,1124 4.082,1125 13.213,1126 15.499,1127 8.539,1128 27.139,1129 12.768,1130 1.932,1131 6.511,1132 23.556,1133 3.104,1134 14.397,1135 16.95,1136 9.436,1137 29.6,1138 13.919,1139 1.867,1140 5.626,1141 25.457,1142 2.765,1143 15.544,1144 18.301,1145 10.13,1146 32.04,1147 15.031,1148 1.772,1149 5.13,1150 27.364,1151 2.296,1152 16.721,1153 19.731,1154 10.981,1155 34.498,1156 16.175,1157 1.489,1158 3.751,1159 29.276,1160 2.108,1161 17.886,1162 21.107,1163 11.71,1164 36.949,1165 17.305,1166 7340,1167 10290,1168 18.087,1169 34.035,1170 39.128,1171 40.371,1172 40.819,1173 39.164,1174 39.145,1175 44.717,1176 9.003,1177 108.801,1178 37.417,1179 5.46,1180 5.697,1181 6.908,1182 5.346,1183 5.277,1184 7.082,1185 3.889,1186 19.208,1187 5.158,1188 11.358,1189 1.449,1190 1.495,1191 1.512,1192 1.451,1193 1.45,1194 1.656,1195 0.333,1196 4.03,1197 1.386,1198 4.043,1199 4.072,1200 3.983,1201 3.937,1202 7.435,1203 3.944,1204 3.783,1205 3.85,1206 3.651,1207 3.647,1208 4.899,1209 3.629,1210 3.721,1211 3.765,1212 3.6,1213 3.595,1214 4.427,1215 3.593,1216 3.571,1217 3.643,1218 3.433,1219 3.384,1220 4.264,1221 3.376,1222 3.346,1223 3.4,1224 3.199,1225 3.086,1226 4.244,1227 3.114,1228 3.279,1229 3.357,1230 3.113,1231 3.035,1232 4.163,1233 3.039,1234 3.071,1235 3.135,1236 2.864,1237 2.869,1238 4.018,1239 2.858,1240 3.039,1241 3.126,1242 2.823,1243 2.832,1244 3.736,1245 2.824,1246 0.167,1247 0.137,1248 0.257,1249 0.157,1250 0.121,1251 4.496,1252 0.151,1253 3.697,1254 0.081,1255 6.945,1256 0.434,1257 4.24,1258 0.117,1259 3.277,1260 4.082,1261 2.186,1262 11.722,1263 3.158,1264 1.937,1265 1.92,1266 2.041,1267 2.052,1268 1.379,1269 2.045,1270 1.782,1271 1.719,1272 2.034,1273 1.951,1274 1.359,1275 1.983,1276 1.604,1277 1.55,1278 1.853,1279 1.797,1280 1.124,1281 1.815,1282 1.563,1283 1.489,1284 1.842,1285 1.787,1286 1.119,1287 1.807,1288 1.483,1289 1.408,1290 1.718,1291 1.692,1292 0.889,1293 1.706,1294 1.267,1295 1.202,1296 1.577,1297 1.55,1298 0.778,1299 1.556,1300 1.031,1301 0.981,1302 1.415,1303 1.316,1304 0.565,1305 1.342,1306 1.009,1307 0.921,1308 1.295,1309 1.3,1310 0.435,1311 1.315,1312 4.007,1314 5.293,1315 2.398,1316 6.783,1317 4.727,1318 8.387,1319 6.823,1320 10.063,1322 4.35,1328 9.448,1329 2.843,1330 11.487,1332 0.902,1333 2.367,1340 31.562,1341 77.575,1342 166.744,1343 245.936,1344 280.955,1345 290.465,1346 290.465,1347 45.089,1348 7.261,1349 50.8,1350 50.8,1351 17,1352 12.443,1353 3,1354 2.322,1355 42.125,1356 98,1357 136,1358 0.206,1359 194.305,1360 344.39,1361 465.864,1362 13890,1364 17.648,1365 0.706,1366 0.617,1367 17.648,1368 15.423,1369 12.203,1370 0.452,1371 0.356,1372 9.49,1373 11.718,1374 9.257,1375 7.741,1376 12.203,1377 9.62,1378 10.385,1379 0.288,1380 0.2,1381 10.385,1382 7.19,1383 8.583,1384 0.179,1385 0.11,1386 8.583,1387 5.296,1388 7.363,1389 0.113,1390 0.061,1391 7.363,1392 3.938,1393 5.83,1394 0.073,1395 0.033,1396 5.83,1397 2.604,1398 0.33,1399 76.632,1400 0.235,1401 24.718,1402 0.546,1403 126,1404 337.185,1405 140.098,1406 314.001,1407 429.29,1408 296,1409 147,1410 315.166,1411 161.407,1412 313.75,1413 464.94,1414 295,1415 7.693}
{0 CHEMBL188011,1 1.525,2 16.294,3 4.644,4 21.564,5 133.659,6 7.72,7 0.486,8 4.214,9 4.307,10 3.847,11 3.795,12 5.322,13 3.755,14 4.757,15 4.907,16 4.208,17 4.194,18 5.81,19 4.126,20 4.936,21 5.087,22 4.295,23 4.336,24 6.027,25 4.243,26 5.063,27 5.251,28 4.187,29 4.316,30 6.12,31 4.204,32 5.054,33 5.281,34 4.088,35 4.255,36 6.004,37 4.127,38 4.934,39 5.145,40 3.978,41 4.202,42 5.901,43 4.05,44 4.914,45 5.157,46 3.871,47 4.102,48 5.867,49 3.929,50 4.725,51 4.955,52 3.79,53 3.937,54 5.681,55 3.825,56 0.02,57 0.803,58 12.63,59 6.377,60 8.288,61 7.559,62 0.401,63 1.341,64 26.983,65 10.88,66 36.619,67 12.666,68 0.332,69 1.608,70 33.258,71 13.688,72 40.851,73 16.174,74 0.43,75 1.754,76 39.338,77 14.998,78 67.161,79 17.983,80 0.483,81 1.728,82 40.391,83 14.82,84 55.844,85 18.549,86 0.315,87 1.568,88 35.107,89 13.82,90 48.064,91 17.116,92 0.671,93 1.516,94 38.021,95 13.805,96 68.788,97 17.584,98 0.25,99 1.255,100 28.376,101 10.568,102 33.534,103 13.768,104 36,105 51,106 0.244,107 0.547,108 0.724,109 0.807,110 0.834,111 0.839,112 3.56,113 0.979,114 -4.58,115 -4.5,116 -4.24,121 43.5,123 3,126 3,127 1,129 1,144 8,145 4,146 3,147 2,158 1,160 1,176 12,179 1,180 5,187 15,189 3,191 1,192 10,200 10,203 3,206 9,214 5,216 3,219 8,227 10,229 2,239 14,243 2,244 2,246 3,251 11,256 2,264 9,266 2,269 7,277 3,279 1,281 2198,282 23.229,283 23.229,284 23.229,285 23.229,286 23.229,287 20.835,288 27.904,289 13.486,290 23.969,291 18.046,292 18.046,293 18.046,294 18.046,295 18.046,296 14.13,297 31.116,298 6.164,299 18.924,300 4.429,301 2.537,302 1.432,303 0.912,304 0.746,305 0.714,306 4.255,312 1,313 1187,314 4.062,317 89.113,318 371.936,321 168.746,325 2.647,326 31.359,329 1,330 0.67,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.83,337 73.5,338 554,339 4.433,340 4.688,341 6.437,342 4.067,343 3.12,344 4.091,345 3.389,346 10.099,347 2.95,348 4.2,349 3.68,350 6.068,351 3.824,352 2.834,353 3.789,354 1.975,355 8.762,356 2.803,357 4.055,358 3.649,359 6.023,360 3.72,361 2.753,362 3.627,363 1.674,364 8.557,365 2.672,366 3.971,367 3.174,368 5.709,369 3.627,370 2.668,371 3.253,372 0.86,373 7.739,374 2.557,375 3.735,376 2.932,377 5.603,378 3.402,379 2.418,380 3.084,381 0.86,382 7.458,383 2.373,384 3.636,385 2.777,386 5.318,387 3.274,388 2.292,389 2.911,390 0.522,391 6.883,392 2.219,393 3.38,394 2.658,395 4.944,396 2.967,397 2.013,398 2.664,400 5.813,401 1.909,402 3.093,403 2.38,404 4.717,405 2.698,406 1.771,407 2.285,409 5.118,410 1.628,411 2.839,412 2.249,413 4.12,414 2.384,415 1.421,416 1.89,418 3.53,419 1.349,420 2.5,421 2.096,422 4.102,423 2.238,424 1.276,425 1.5,427 3.456,428 1.205,429 2.5,430 1.861,431 3.943,432 2,433 1.136,434 1.5,436 2.841,437 1,438 2.472,439 1.461,440 3.414,441 1.984,442 1,443 1.429,445 2.275,446 0.983,447 2.223,448 1.113,449 3.414,450 1.983,451 1,452 1.204,454 2.275,455 0.946,456 1.843,457 1.054,458 3.125,459 1.563,460 0.555,461 0.661,463 1.288,464 0.551,465 1.491,466 1,467 2.887,468 1.215,469 0.361,470 0.391,472 0.501,473 0.304,474 16.4,475 0.482,476 0.759,477 0.022,478 42.75,479 1.257,480 21.5,481 0.632,482 21.25,483 0.625,484 30.143,485 0.887,486 36.7,487 0.592,488 33.621,489 0.989,490 8.574,491 0.252,492 7.925,493 0.233,494 0.132,496 0.329,501 0.739,502 1.204,503 0.744,504 1.043,505 0.559,506 0.967,507 1.079,508 0.845,509 0.949,510 0.818,511 0.673,512 0.805,513 0.828,514 1.204,515 1.119,516 1.231,517 0.952,518 1.138,519 1.119,520 1.163,521 1.153,522 1.171,523 1.361,524 1.15,525 0.976,526 0.934,527 0.977,528 0.948,529 0.797,530 0.958,531 0.825,532 1.112,533 1.143,534 1.148,535 1.007,536 1.147,537 0.505,538 0.923,539 1.105,540 1.048,541 0.767,542 1,543 0.754,544 1.036,545 0.857,546 0.993,547 0.651,548 0.938,549 7.5,550 0.254,551 4,552 1.917,553 2.014,554 1.091,555 0.722,556 0.539,557 0.233,558 0.197,559 19876,560 55879,561 2.059,562 45.2,563 2,564 20,566 2,568 2,569 2,572 1.751,573 1.925,574 3.96,575 -0.788,582 94.563,583 1.525,584 3.417,585 4.522,586 5.042,587 5.208,588 5.24,589 3.425,590 4.043,591 5.058,592 4.166,593 2336.87,594 8.819,595 39078.8,600 369.16,601 1.419,602 5.016,603 0.203,604 0.009,605 0.078,606 0.036,607 0.044,608 0.026,609 0.02,610 0.016,611 0.007,612 0.007,613 0.446,614 0.17,615 0.88,616 1.015,617 188.457,618 -0.008,619 -0.121,620 0.073,621 -0.037,622 -0.011,623 -0.004,624 -0.062,625 0.222,626 0.055,627 0.216,628 0.01,629 0.156,630 0.022,631 -0.155,632 -0.089,633 -0.159,634 -0.016,635 -0.151,636 -0.117,637 -0.163,638 -0.147,639 -0.162,640 -0.14,641 -0.173,642 -0.073,643 0.046,644 0.015,645 0.034,646 -0.012,647 0.037,648 -0.065,649 -0.114,650 -0.117,651 -0.11,652 -0.076,653 -0.134,654 0.259,655 0.063,656 0.012,657 0.016,658 0.121,659 0.032,660 0.022,661 -0.061,662 0.087,663 -0.026,664 0.096,665 0.069,666 2.002,667 5.88,668 0.618,669 44.917,670 1.004,671 1.114,672 3.35,673 11.223,674 0.681,675 3.638,676 3.951,677 4.22,678 4.431,679 4.663,680 4.736,681 4.844,682 4.956,683 4.913,684 4.898,685 9.417,686 0.643,687 478.63,688 3.638,689 5.176,690 6.023,691 6.891,692 7.754,693 8.625,694 9.495,695 10.368,696 11.241,697 12.117,698 1.6,708 1,715 10,720 7,721 1,722 18,732 1,739 2,741 62,743 20,744 2,745 37,747 65,748 27,749 17,750 6,751 6,752 1,756 4,757 5,767 2,770 4,772 19,773 8,777 2,782 2,786 2,793 28,794 5,796 7,797 1,802 1,803 1,808 0.75,809 5,822 1,828 1,829 3,832 1,841 1,859 3,860 1,862 1,864 3,868 34,876 4,878 3,879 1,880 1,893 8.1,896 2,898 3,901 17.667,902 12.167,903 7.694,904 3.563,907 3.357,908 1.414,909 0.96,910 8.04,911 11.463,912 3.892,913 4.46,914 4.996,915 5.483,916 6.028,917 6.187,918 6.44,919 6.736,920 6.906,921 7.102,922 0.909,923 53,924 12.589,926 5.278,927 0.026,929 7.755,931 24.101,933 19.602,936 2.255,937 76.667,941 329.591,942 205.588,943 1.899,945 83.29,947 32.22,948 173.368,949 412.88,950 1.899,951 32.649,952 9.709,953 75.81,954 88.056,955 75.874,957 338.268,959 329.591,960 175.267,961 83.29,962 32.22,964 306.049,965 106.832,968 27.804,969 145.564,970 1.899,971 32.22,972 329.591,973 85.189,974 205.588,977 329.591,978 79.034,979 128.453,981 83.29,982 329.591,983 85.189,984 205.588,986 0.576,987 0.348,988 0.177,989 0.097,990 23,991 11,992 0.154,993 10,994 1,995 1.095,996 4.621,997 299.958,998 0.095,999 21,1000 164.974,1001 1,1005 24.462,1006 11.175,1007 5.892,1009 83.29,1010 19.492,1015 6.391,1016 2.072,1018 620.367,1019 48,1024 24.441,1028 -0.07,1031 62.243,1032 69.071,1034 0.256,1035 0.574,1036 0.759,1037 0.847,1038 0.875,1039 0.88,1040 5.127,1041 1.771,1042 6.004,1043 5.813,1044 4.635,1045 5.147,1046 3.663,1047 6.792,1048 4.552,1049 6.322,1050 1.421,1051 7.554,1052 5.118,1053 4.205,1054 4.934,1055 2.036,1056 7.636,1057 4.1,1058 7.623,1059 1.276,1060 9.197,1061 3.53,1062 6.221,1063 7.289,1064 5.68,1065 10.679,1066 6.072,1067 8.957,1068 1.136,1069 10.892,1070 3.456,1071 6.594,1072 7.844,1073 4.168,1074 12.302,1075 6.408,1076 10.318,1077 1,1078 12.619,1079 2.841,1080 8.061,1081 9.688,1082 8.001,1083 14.849,1084 7.845,1085 11.697,1086 1,1087 14.368,1088 2.275,1089 8.8,1090 10.598,1091 6.596,1092 16.809,1093 8.534,1094 13.09,1095 0.555,1096 16.132,1097 2.275,1098 10.046,1099 12.224,1100 10.397,1101 19.179,1102 9.752,1103 3.12,1104 0.361,1105 17.907,1106 1.288,1107 10.964,1108 13.326,1109 9.16,1110 21.301,1111 10.614,1112 2.834,1113 10.099,1114 19.691,1115 0.501,1116 12.116,1117 14.841,1118 12.813,1119 23.607,1120 11.733,1121 2.753,1122 8.762,1123 21.483,1124 4.091,1125 13.125,1126 16.055,1127 11.751,1128 25.81,1129 12.684,1130 2.668,1131 8.557,1132 23.28,1133 3.789,1134 14.241,1135 17.51,1136 15.235,1137 28.096,1138 13.761,1139 2.418,1140 7.739,1141 25.083,1142 3.627,1143 15.296,1144 18.793,1145 14.332,1146 30.341,1147 14.759,1148 2.292,1149 7.458,1150 26.89,1151 3.253,1152 16.4,1153 20.216,1154 17.659,1155 32.626,1156 15.818,1157 2.013,1158 6.883,1159 28.701,1160 3.084,1161 17.481,1162 21.54,1163 16.895,1164 34.894,1165 16.841,1166 18994,1167 31968,1168 24.561,1169 42.205,1170 54.507,1171 59.119,1172 57.167,1173 54.199,1174 54.32,1175 69.793,1176 18.56,1177 155.096,1178 51.861,1179 5.371,1180 6.688,1181 5.981,1182 5.184,1183 5.12,1184 7.091,1185 6.716,1186 16.854,1187 4.95,1188 18.538,1189 1.473,1190 1.598,1191 1.545,1192 1.465,1193 1.468,1194 1.886,1195 0.502,1196 4.192,1197 1.402,1198 4.044,1199 4.078,1200 4.138,1201 3.985,1202 7.433,1203 3.964,1204 3.974,1205 3.989,1206 3.955,1207 3.911,1208 7.425,1209 3.905,1210 3.871,1211 3.897,1212 3.812,1213 3.791,1214 4.923,1215 3.791,1216 3.638,1217 3.664,1218 3.621,1219 3.494,1220 4.809,1221 3.498,1222 3.443,1223 3.469,1224 3.393,1225 3.253,1226 4.667,1227 3.259,1228 3.352,1229 3.395,1230 3.295,1231 3.132,1232 4.495,1233 3.146,1234 3.247,1235 3.313,1236 3.068,1237 2.958,1238 4.463,1239 2.962,1240 3.164,1241 3.23,1242 3.02,1243 2.934,1244 4.334,1245 2.942,1246 0.12,1247 0.127,1248 0.174,1249 0.11,1250 0.084,1251 4.433,1252 0.111,1253 4.688,1254 0.092,1255 6.437,1256 0.273,1257 4.067,1258 0.08,1259 3.12,1260 4.091,1261 3.389,1262 10.099,1263 2.95,1264 1.976,1265 1.943,1266 2.091,1267 2.104,1268 1.286,1269 2.102,1270 1.873,1271 1.86,1272 1.989,1273 1.971,1274 1.201,1275 1.974,1276 1.861,1277 1.837,1278 1.947,1279 1.957,1280 1.142,1281 1.956,1282 1.629,1283 1.602,1284 1.774,1285 1.791,1286 0.992,1287 1.796,1288 1.361,1289 1.322,1290 1.609,1291 1.613,1292 0.849,1293 1.605,1294 1.269,1295 1.22,1296 1.589,1297 1.538,1298 0.612,1299 1.557,1300 1.195,1301 1.136,1302 1.574,1303 1.518,1304 0.577,1305 1.536,1306 1.181,1307 1.105,1308 1.491,1309 1.427,1310 0.574,1311 1.467,1312 4.317,1314 5.631,1315 2.398,1316 7.136,1317 4.727,1318 8.723,1319 6.843,1320 10.352,1322 4.623,1328 2.653,1330 15.51,1331 1.618,1332 -0.062,1340 39.894,1341 94.563,1342 211.863,1343 280.366,1344 312.631,1345 322.896,1346 324.896,1347 68.383,1348 8.106,1349 65.71,1350 91.01,1351 23,1352 12.657,1353 4.392,1354 3.585,1355 57.555,1356 196,1357 192,1358 0.141,1359 247.359,1360 439.26,1361 595.316,1362 44554,1364 24.079,1365 0.708,1366 0.601,1367 24.432,1368 20.445,1369 16.499,1370 0.446,1371 0.326,1372 11.09,1373 15.349,1374 10.657,1375 8.855,1376 16.907,1377 12.077,1378 14.403,1379 0.282,1380 0.187,1381 15.045,1382 9.518,1383 12.612,1384 0.188,1385 0.111,1386 13.449,1387 7.415,1388 9.751,1389 0.117,1390 0.065,1391 10.624,1392 5.398,1393 8.003,1394 0.076,1395 0.037,1396 8.814,1397 3.848,1398 0.234,1399 108.19,1400 0.202,1401 32.495,1402 0.356,1403 176,1404 537.871,1405 216.768,1406 525.569,1407 705.7,1408 494,1409 206,1410 481.563,1411 245.338,1412 505.218,1413 733.42,1414 470,1415 6}
{0 CHEMBL188019,1 1.494,2 8.56,3 4.96,4 24.606,5 101.91,6 8.273,7 0.643,8 3.845,9 3.929,10 3.55,11 3.541,12 5.014,13 3.486,14 4.308,15 4.418,16 3.943,17 3.949,18 5.431,19 3.86,20 4.632,21 4.79,22 4.121,23 4.128,24 5.717,25 4.012,26 4.646,27 4.824,28 3.958,29 4.075,30 5.682,31 3.939,32 4.651,33 4.845,34 3.938,35 4.092,36 5.608,37 3.965,38 4.681,39 4.872,40 4.02,41 4.093,42 5.725,43 3.981,44 4.625,45 4.814,46 3.787,47 4.001,48 5.716,49 3.877,50 4.521,51 4.737,52 3.446,53 3.736,54 5.645,55 3.601,56 0.042,57 0.496,58 7.662,59 3.914,60 10.725,61 4.543,62 0.017,63 0.831,64 14.061,65 6.834,66 10.66,67 8.03,68 0.152,69 1.231,70 25.012,71 10.077,72 30.184,73 11.345,74 0.226,75 1.247,76 26.008,77 10.391,78 38.268,79 11.883,80 0.167,81 1.234,82 25.274,83 10.389,84 33.475,85 12.514,86 0.187,87 1.242,88 25.491,89 10.512,90 29.761,91 12.749,92 0.146,93 1.161,94 24.609,95 10.215,96 31.894,97 12.2,98 0.192,99 1.016,100 20.696,101 8.826,102 40.799,103 11.116,104 5,105 39,106 0.258,107 0.534,108 0.67,109 0.839,110 0.892,111 0.892,112 3.268,113 0.963,114 -4.95,115 -4.85,116 -4.55,121 50,123 1,129 1,144 12,145 2,146 4,159 1,176 11,180 3,185 4,187 15,192 4,197 4,200 12,206 4,209 1,211 3,214 13,219 3,227 14,232 2,237 5,239 20,249 4,251 20,259 1,261 5,264 12,274 3,277 3,281 800,282 17.154,283 17.154,284 17.154,285 17.154,286 17.154,287 14.703,288 15.485,289 10.191,290 17.445,291 13.847,292 13.847,293 13.847,294 13.847,295 13.847,296 10.306,297 15.433,298 4.876,299 14.405,300 3.898,301 2.305,302 1.518,303 0.542,304 0.238,305 0.238,306 3.97,311 1,312 1,313 469,314 2,318 188.39,319 60.905,323 104.242,325 1.178,326 19.572,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 52.5,338 214,339 4.427,340 4.627,341 6.51,342 4.055,343 3.099,344 4.032,345 3.272,346 10.237,347 2.972,348 4.179,349 3.368,350 6.217,351 3.797,352 2.839,353 3.779,354 0.986,355 9.264,356 2.713,357 4.075,358 3.253,359 6.021,360 3.68,361 2.709,362 3.659,364 8.65,365 2.615,366 3.596,367 2.66,368 5.104,369 3.239,370 2.289,371 2.889,373 6.141,374 2.164,375 3.459,376 2.588,377 5.022,378 2.985,379 2.033,380 2.745,382 5.83,383 1.93,384 2.941,385 2.144,386 4.509,387 2.523,388 1.6,389 2.102,391 4.545,392 1.455,393 2.883,394 1.843,395 4.143,396 2.423,397 1.434,398 2.043,400 3.515,401 1.414,402 2.854,403 1.538,404 3.759,405 2.392,406 1.414,407 1.997,409 3.016,410 1.376,411 2.635,412 1.484,413 3.621,414 2.241,415 1.263,416 1.672,418 2.988,419 1.227,420 2.5,421 1.194,422 3.569,423 2,424 1,425 1.5,427 2.458,428 1,429 2.425,430 1,431 3.414,432 1.92,433 0.954,434 1.352,436 2.275,437 0.913,438 1.339,439 0.671,440 2.865,441 1.018,442 0.091,443 0.108,445 0.219,446 0.083,447 1.13,448 0.595,449 2.806,450 0.798,451 -0.144,452 -0.167,454 -0.347,455 -0.133,456 1.096,457 0.237,458 2.525,459 0.691,460 -0.205,461 -0.255,463 -0.549,464 -0.182,465 0.928,466 0.146,467 2,468 0.555,469 -0.37,470 -0.457,472 -0.844,473 -0.336,474 12.4,475 0.496,476 0.554,477 0.022,478 36.5,479 1.46,480 21.5,481 0.86,482 15,483 0.6,484 18.245,485 0.73,486 24.8,487 0.59,488 25.238,489 1.01,490 6.983,491 0.279,492 5.22,493 0.209,494 0.054,496 0.323,501 0.94,502 0.835,503 0.742,504 0.739,505 0.992,506 0.755,507 0.631,508 1.125,509 0.96,510 1.054,511 0.578,512 0.99,513 0.988,514 1.122,515 1.194,516 1.114,517 0.884,518 0.988,519 0.971,520 1.081,521 1.284,522 1.137,523 0.912,524 1.082,525 0.798,526 0.923,527 1.046,528 0.957,529 0.754,530 0.94,531 0.767,532 0.959,533 0.859,534 0.981,535 0.791,536 0.949,537 0.955,538 1.061,539 1.139,540 1.141,541 0.932,542 1.106,543 1.063,544 1.08,545 0.907,546 1.056,547 1.178,548 1.171,549 4.5,550 0.037,551 2.889,552 1.375,553 1.237,554 1.001,555 0.524,556 0.298,557 0.26,558 0.128,559 6589,560 18043,561 2.154,562 40.5,564 13,567 2,568 2,572 1.689,573 2.055,574 3.06,575 0.194,582 62.752,583 1.494,584 3.088,585 3.874,586 4.851,587 5.154,588 5.154,589 2.459,590 3.783,591 4.616,592 3.187,593 956.143,594 8.03,595 11241.9,597 1,600 226.477,601 1.26,602 4.592,603 0.161,604 0.007,605 0.074,606 0.032,607 0.033,608 0.026,609 0.013,610 0.009,611 0.011,612 0.012,613 0.378,614 0.5,615 1,616 0.477,617 117.473,618 -0.111,619 0.101,620 0.032,621 0.136,622 -0.155,623 0.09,625 -0.156,626 -0.016,627 -0.083,628 0.022,629 -0.094,630 -0.069,631 -0.076,632 -0.029,633 -0.038,634 -0.035,635 -0.04,636 -0.055,637 -0.041,638 -0.16,639 -0.085,640 -0.06,641 -0.118,642 -0.069,643 0.08,644 -0.037,645 0.043,646 -0.067,647 0.044,648 0.049,649 0.011,650 0.095,651 -0.013,652 0.017,653 0.031,654 -0.065,655 -0.108,656 -0.168,657 -0.16,658 -0.023,659 -0.124,660 0.036,661 -0.17,662 -0.099,663 -0.175,664 -0.011,665 -0.181,666 1.421,667 4.275,668 0.92,669 18.56,670 0.998,671 1.099,672 3.72,673 13.839,674 0.73,675 3.367,676 3.689,677 3.97,678 4.234,679 4.522,680 4.644,681 4.787,682 4.963,683 5.081,684 5.124,685 5.237,686 0.687,687 347.46,688 3.367,689 4.905,690 5.759,691 6.635,692 7.506,693 8.388,694 9.267,695 10.152,696 11.035,697 11.922,698 2.4,707 1,715 12,720 6,722 18,725 1,738 2,741 42,743 19,744 3,745 28,747 45,748 21,749 18,750 6,751 12,752 1,756 4,757 5,767 2,770 2,772 19,773 2,777 1,785 1,786 1,793 17,794 3,795 2,796 4,797 1,802 1,808 0.75,809 2,829 3,830 1,834 1,859 3,860 1,862 1,868 25,875 2,876 1,879 1,880 1,893 4.8,895 2,901 12.167,902 7.35,903 5.444,904 2.415,907 3.637,908 1.489,909 0.974,910 4.41,911 11.082,912 3.664,913 4.27,914 4.842,915 5.392,916 5.949,917 6.133,918 6.521,919 6.971,920 7.403,921 7.775,922 0.833,923 43,924 9.229,926 3.992,927 0.026,929 7.713,931 17.722,933 14.931,936 2.213,937 55.333,940 1,941 176.567,942 161.904,943 16.786,945 85.367,947 32.22,948 129.685,949 261.933,950 16.786,952 2.535,953 113.715,954 88.123,955 27.464,957 208.786,959 176.567,960 146.47,961 85.367,962 32.22,964 176.567,965 85.367,968 19.32,969 127.15,971 32.22,972 176.567,973 102.152,974 161.904,977 176.567,978 48.189,979 113.715,981 102.152,982 176.567,983 102.152,984 161.904,986 0.581,987 0.339,988 0.184,989 0.107,990 20,991 8,992 0.044,993 2,994 1,995 1.087,996 3.639,997 218.948,998 0.087,999 23,1000 112.096,1001 1,1005 16.099,1006 6.849,1007 3.377,1009 102.152,1010 22.712,1015 4.441,1017 85.367,1018 440.623,1019 38,1027 4.85,1028 0.869,1031 41.902,1032 46.159,1034 0.277,1035 0.573,1036 0.718,1037 0.9,1038 0.956,1039 0.956,1040 4.887,1041 1.414,1042 5.733,1043 3.515,1044 4.369,1045 4.956,1046 3.193,1047 6.532,1048 4.288,1049 6.091,1050 1.263,1051 7.281,1052 3.016,1053 3.892,1054 4.605,1056 7.391,1057 3.733,1058 7.388,1059 1,1060 8.93,1061 2.988,1062 5.948,1063 7.118,1064 5.448,1065 10.495,1066 5.787,1067 8.72,1068 0.954,1069 10.638,1070 2.458,1071 6.293,1072 7.566,1074 12.184,1075 6.051,1076 10.08,1077 0.091,1078 12.384,1079 2.275,1080 7.801,1081 9.532,1082 7.807,1083 14.78,1084 7.559,1085 11.462,1086 -0.144,1087 14.157,1088 0.219,1089 8.536,1090 10.38,1092 16.808,1093 8.219,1094 12.861,1095 -0.205,1096 15.948,1097 -0.347,1098 9.809,1099 12.08,1100 10.177,1101 19.218,1102 9.482,1103 3.099,1104 -0.37,1105 17.752,1106 -0.549,1107 10.734,1108 13.147,1110 21.393,1111 10.34,1112 2.839,1113 10.237,1114 19.566,1115 -0.844,1116 11.904,1117 14.703,1118 12.548,1119 23.732,1120 11.491,1121 2.709,1122 9.264,1123 21.387,1124 4.032,1125 12.921,1126 15.894,1128 25.973,1129 12.449,1130 2.289,1131 8.65,1132 23.215,1133 3.779,1134 14.049,1135 17.37,1136 14.919,1137 28.286,1138 13.55,1139 2.033,1140 6.141,1141 25.047,1142 3.659,1143 15.111,1144 18.634,1146 30.558,1147 14.559,1148 1.6,1149 5.83,1150 26.883,1151 2.889,1152 16.224,1153 20.065,1154 17.29,1155 32.864,1156 15.638,1157 1.434,1158 4.545,1159 28.722,1160 2.745,1161 17.309,1162 21.373,1164 35.153,1165 16.675,1166 6240,1167 10422,1168 19.186,1169 30.654,1170 42.091,1171 44.385,1172 42.691,1173 41.574,1174 41.451,1175 55.757,1176 8.517,1177 118.276,1178 39.725,1179 5.328,1180 6.627,1181 6.195,1182 5.185,1183 5.099,1184 7.032,1185 6.545,1186 17.075,1187 4.972,1188 8.973,1189 1.503,1190 1.585,1191 1.525,1192 1.485,1193 1.48,1194 1.991,1195 0.304,1196 4.224,1197 1.419,1198 4.026,1199 4.048,1200 4.113,1201 3.984,1202 6.473,1203 3.964,1204 3.88,1205 3.902,1206 3.838,1207 3.819,1208 6.467,1209 3.815,1210 3.835,1211 3.859,1212 3.8,1213 3.787,1214 4.858,1215 3.776,1216 3.458,1217 3.504,1218 3.467,1219 3.372,1220 4.622,1221 3.348,1222 3.095,1223 3.128,1224 3.218,1225 3.016,1226 4.603,1227 2.983,1228 2.939,1229 2.973,1230 2.86,1231 2.76,1232 4.305,1233 2.751,1234 2.854,1235 2.925,1236 2.82,1237 2.746,1238 3.767,1239 2.726,1240 2.838,1241 2.887,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.158,1247 0.165,1248 0.232,1249 0.145,1250 0.111,1251 4.427,1252 0.144,1253 4.627,1254 0.117,1255 6.51,1256 0.366,1257 4.055,1258 0.106,1259 3.099,1260 4.032,1261 3.272,1262 10.237,1263 2.972,1264 1.936,1265 1.914,1266 2.035,1267 2.024,1268 1.263,1269 2.029,1270 1.911,1271 1.892,1272 1.994,1273 1.981,1274 1.105,1275 1.995,1276 1.836,1277 1.813,1278 1.945,1279 1.913,1280 1.031,1281 1.928,1282 1.473,1283 1.434,1284 1.647,1285 1.611,1286 0.863,1287 1.635,1288 1.082,1289 1.053,1290 1.199,1291 1.231,1292 0.364,1293 1.238,1294 0.886,1295 0.84,1296 1.181,1297 1.145,1298 0.218,1299 1.132,1300 0.883,1301 0.821,1302 1.141,1303 1.062,1304 0.198,1305 1.107,1306 0.859,1307 0.804,1308 1.12,1309 1.022,1310 0.17,1311 1.065,1312 4.043,1314 5.361,1316 6.876,1317 2.708,1318 8.476,1319 5.293,1320 10.116,1327 19.846,1328 0.696,1331 1.763,1332 0.155,1340 28.853,1341 62.752,1342 129.683,1343 162.703,1344 203.722,1345 216.477,1346 216.477,1347 37.747,1348 7.444,1349 52.82,1350 78.12,1351 25,1352 12.454,1353 4.322,1354 3.459,1355 35.529,1356 80,1357 85,1358 0.225,1359 179.28,1360 310.41,1361 429.203,1362 16490,1364 17.225,1365 0.689,1366 0.571,1367 17.579,1368 14.279,1369 12.204,1370 0.436,1371 0.321,1372 8.143,1373 11.549,1374 7.885,1375 6.503,1376 12.612,1377 8.99,1378 10.977,1379 0.281,1380 0.184,1381 11.62,1382 7.19,1383 9.393,1384 0.181,1385 0.107,1386 10.215,1387 5.571,1388 7.801,1389 0.115,1390 0.062,1391 8.699,1392 4.206,1393 6.693,1394 0.074,1395 0.035,1396 7.63,1397 3.223,1398 0.339,1399 78.866,1400 0.228,1401 23.628,1402 0.667,1403 134,1404 346.805,1405 165.884,1406 367.087,1407 507.35,1408 344,1409 158,1410 361.278,1411 187.648,1412 383.926,1413 562.33,1414 364,1415 5.387}
{0 CHEMBL188274,1 1.497,2 7.125,3 2.045,4 4.181,5 63.725,6 6.539,7 0.375,8 3.58,9 3.718,10 3.013,11 3.006,12 4.666,13 2.976,14 4.103,15 4.328,16 3.303,17 3.324,18 5.183,19 3.27,20 4.243,21 4.44,22 3.32,23 3.493,24 5.253,25 3.407,26 4.425,27 4.673,28 3.225,29 3.515,30 5.393,31 3.384,32 4.376,33 4.653,34 3.117,35 3.418,36 5.294,37 3.269,38 4.193,39 4.456,40 2.897,41 3.214,42 5.11,43 3.065,44 4.018,45 4.291,46 2.588,47 2.92,48 4.981,49 2.765,50 3.692,51 3.971,52 2.325,53 2.607,54 4.741,55 2.467,56 0.015,57 0.462,58 8.005,59 2.911,60 6.034,61 4.281,62 0.348,63 0.662,64 14.343,65 4.254,66 29.093,67 6.567,68 0.135,69 0.756,70 16.058,71 5.729,72 21.056,73 8.205,74 0.219,75 0.807,76 19.543,77 6.384,78 35.915,79 9.491,80 0.243,81 0.744,82 18.605,83 5.944,84 31.245,85 9.067,86 0.156,87 0.608,88 15.452,89 4.879,90 25.913,91 7.404,92 0.299,93 0.466,94 13.408,95 3.678,96 29.488,97 5.605,98 0.131,99 0.352,100 9.486,101 2.381,102 23.355,103 3.961,104 35,105 21,106 0.285,107 0.583,108 0.727,109 0.818,110 0.818,111 0.818,112 2.851,113 0.975,114 -2.81,115 -2.82,116 -2.74,121 35.3,122 1,126 3,129 1,144 4,145 1,146 1,161 1,176 4,179 1,180 4,183 2,187 5,192 4,200 4,206 4,211 2,214 1,218 1,219 4,224 2,227 1,232 1,237 1,243 1,244 1,247 1,249 1,281 246,282 10.284,283 10.284,284 10.284,285 10.284,286 10.284,287 9.43,288 14.779,289 6.087,290 10.593,291 7.785,292 7.785,293 7.785,294 7.785,295 7.785,296 6.415,297 19.396,298 2.791,299 8.2,300 3.591,301 2.025,302 1.273,303 0.795,304 0.795,305 0.795,306 3.468,311 1,312 1,313 218,314 3.464,318 57.03,325 1.141,326 11.695,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 35,338 114,339 4.196,340 3.661,341 6.3,342 3.91,343 2.942,344 3.741,345 2.186,346 9.302,347 2.851,348 3.772,349 3.252,350 5.491,351 3.476,352 2.549,353 2.976,354 0.916,355 7.309,356 2.347,357 3.447,358 2.644,359 4.918,360 3.09,361 2.126,362 2.618,363 0.366,364 5.513,365 2.029,366 2.985,367 2.076,368 4.601,369 2.665,370 1.712,371 2.083,372 0.172,373 4.591,374 1.623,375 2.646,376 1.313,377 3.51,378 2.189,379 1.201,380 1.706,382 2.63,383 1.184,384 1.738,385 1.101,386 3.151,387 1.583,388 0.613,389 0.675,391 1.395,392 0.593,393 1.507,394 0.759,395 2.812,396 1.298,397 0.382,398 0.408,400 0.557,401 0.345,402 1.174,403 0.615,404 2,405 0.725,406 -0.253,407 -0.331,409 -0.57,410 -0.241,411 0.627,412 -0.365,413 2,414 0.233,415 -0.766,416 -0.979,418 -1.911,419 -0.763,420 0.479,421 -0.6,422 1.582,423 -0.001,424 -1,425 -1,427 -2,428 -0.9,430 -0.661,431 1.457,432 -0.1,433 -1,434 -1.4,436 -2.58,437 -0.985,438 -0.196,439 -0.971,440 1.245,441 -0.419,442 -1.388,443 -1.484,445 -3.16,446 -1.332,447 -0.359,448 -1.187,449 1.031,450 -0.479,451 -1.43,452 -1.736,453 -0.4,454 -3.825,455 -1.373,456 -0.5,457 -1.298,458 1,459 -0.841,460 -1.769,461 -2.002,462 -0.689,463 -5.223,464 -1.566,465 -0.709,466 -1.539,467 0.458,468 -1,469 -1.92,470 -2.275,471 -0.85,472 -5.503,473 -1.812,474 7.467,475 0.467,476 0.459,477 0.029,478 18,479 1.125,480 8,481 0.5,482 10,483 0.625,484 11.537,485 0.721,486 18.933,487 0.557,488 12.512,489 0.782,490 3.901,491 0.244,492 3.639,493 0.227,494 0.313,496 0.321,501 0.825,502 1.685,503 0.928,504 1.408,505 0.653,506 1.208,507 0.74,508 0.753,509 0.842,510 0.735,511 0.432,512 0.769,513 1.084,514 1.22,515 1.086,516 1.238,517 0.826,518 1.176,519 1.09,520 1.109,521 1.051,522 1.109,523 1.061,524 1.088,525 0.802,526 0.968,527 0.897,528 0.983,529 0.871,530 0.964,531 0.994,532 1.165,533 1.03,534 1.176,535 0.882,536 1.124,537 1.417,538 0.829,539 1.166,540 0.9,541 1.33,542 0.997,543 1.268,544 1.153,545 1.131,546 1.055,547 1.784,548 1.059,549 4,551 1.778,552 1.125,553 0.662,554 0.465,555 0.344,556 0.184,557 0.049,559 1634,560 4376,561 1.828,562 52.9,564 14,567 1,569 3,572 1.552,573 1.655,574 2.89,575 -0.229,577 1,578 1,579 1,582 50.896,583 1.497,584 3.062,585 3.814,586 4.293,587 4.293,588 4.293,589 2.281,590 3.156,591 3.97,592 2.973,593 356.762,594 6.692,595 3125.02,597 1,599 1,600 172.974,601 1.579,602 3.882,603 0.25,605 0.085,606 0.054,607 0.037,608 0.029,609 0.029,610 0.023,611 0.008,613 0.514,614 0.67,615 1,616 1.774,617 64.738,618 -0.022,619 -0.351,620 0.036,621 -0.195,622 -0.072,623 -0.087,624 0.292,625 0.398,626 0.164,627 0.259,628 0.262,629 0.211,630 -0.115,631 -0.103,632 -0.119,633 -0.125,634 -0.027,635 -0.122,636 -0.106,637 -0.137,638 -0.088,639 -0.094,640 -0.072,641 -0.092,642 0.044,643 -0.035,644 0.05,645 -0.01,646 -0.007,647 0.016,648 -0.056,649 -0.231,650 -0.073,651 -0.195,652 -0.042,653 -0.146,654 -0.072,655 0.04,656 -0.146,657 -0.018,658 -0.104,659 -0.097,660 -0.151,661 -0.232,662 -0.133,663 -0.186,664 -0.078,665 -0.159,666 2.116,667 4.052,668 0.375,669 10.297,670 0.998,671 1.139,672 1.583,673 2.506,674 0.618,675 2.833,676 3.091,677 3.219,678 3.296,679 3.401,680 3.332,681 3.296,682 3.135,683 2.485,684 1.946,685 4.422,686 0.579,687 222.32,688 2.833,689 4.317,690 5.106,691 5.938,692 6.751,693 7.589,694 8.411,695 9.252,696 10.077,697 10.919,698 5.9,701 1,705 1,715 4,720 2,722 6,737 1,741 34,743 7,744 1,745 16,747 34,748 12,749 6,750 2,751 4,756 1,757 1,763 1,770 1,772 7,773 5,777 1,782 1,786 1,790 1,793 18,794 4,795 1,796 4,802 2,808 1,809 2,829 1,855 1,859 1,864 4,868 16,877 1,878 1,880 1,881 1,893 5.9,896 1,898 1,901 9.667,902 7.2,903 3.722,904 1.876,907 1.291,908 1.238,909 0.885,910 4.618,911 6.716,912 3.045,913 3.512,914 3.897,915 4.339,916 4.782,917 4.794,918 4.937,919 4.945,920 4.193,921 3.726,922 0.8,923 21,924 5.869,926 2.248,927 0.026,929 7.833,931 11.099,933 8.144,936 2.333,937 37.333,938 0.002,941 200.109,942 87.111,943 21.135,945 36.145,948 87.111,949 236.254,950 21.135,951 34.014,952 18.011,953 37.905,954 25.145,955 22.553,956 6.763,957 200.109,959 200.109,960 108.246,961 36.145,964 164.795,965 71.458,968 29.96,969 78.286,972 200.109,973 57.28,974 87.111,977 200.109,978 15.192,979 75.044,980 18.011,981 36.145,982 200.109,983 57.28,984 87.111,986 0.571,987 0.322,988 0.142,989 0.075,990 8,991 5,992 0.118,993 4,995 1,996 2.711,997 95.842,999 6,1000 60,1005 12.847,1006 5.752,1007 3.707,1009 57.28,1010 7.538,1015 1.678,1017 18.011,1018 344.499,1019 20,1024 11.052,1028 -0.449,1031 33.927,1032 38.737,1034 0.294,1035 0.602,1036 0.75,1037 0.844,1038 0.844,1039 0.844,1040 4.241,1041 -0.253,1042 5.094,1043 0.557,1044 3.761,1045 4.19,1046 2.401,1047 5.832,1048 3.666,1049 5.413,1050 -0.766,1051 6.629,1052 -0.57,1053 3.434,1054 3.951,1055 1.847,1056 6.653,1057 3.287,1058 6.685,1059 -1,1060 8.263,1061 -1.911,1062 5.293,1063 6.201,1064 3.519,1065 9.657,1066 5.105,1067 7.988,1068 -1,1069 9.951,1070 -2,1071 5.707,1072 6.656,1073 3.603,1074 11.235,1075 5.468,1076 9.316,1077 -1.388,1078 11.671,1079 -2.58,1080 7.096,1081 8.485,1082 4.91,1083 13.783,1084 6.829,1085 10.661,1086 -1.43,1087 13.414,1088 -3.16,1089 7.843,1090 9.275,1091 5.291,1092 15.697,1093 7.532,1094 12.019,1095 -1.769,1096 15.174,1097 -3.825,1098 9.043,1099 10.911,1100 6.388,1101 18.064,1102 8.71,1103 2.942,1104 -1.92,1105 16.947,1106 -5.223,1107 9.952,1108 11.894,1109 6.93,1110 20.139,1111 9.58,1112 2.549,1113 9.302,1114 18.731,1115 -5.503,1116 11.072,1117 13.418,1118 7.902,1119 22.428,1120 10.679,1121 2.126,1122 7.309,1123 20.524,1124 3.741,1125 12.061,1126 14.521,1127 8.539,1128 24.581,1129 11.634,1130 1.712,1131 5.513,1132 22.324,1133 2.976,1134 13.148,1135 15.974,1136 9.436,1137 26.835,1138 12.7,1139 1.201,1140 4.591,1141 24.131,1142 2.618,1143 14.176,1144 17.153,1145 10.13,1146 29.026,1147 13.697,1148 0.613,1149 2.63,1150 25.942,1151 2.083,1152 15.251,1153 18.56,1154 10.981,1155 31.266,1156 14.749,1157 0.382,1158 1.395,1159 27.758,1160 1.706,1161 16.3,1162 19.79,1163 11.71,1164 33.476,1165 15.77,1166 1838,1167 3106,1168 9.652,1169 21.012,1170 23.084,1171 24.041,1172 24.816,1173 23.037,1174 23.049,1175 28.414,1176 7.283,1177 62.596,1178 21.946,1179 5.005,1180 5.661,1181 5.857,1182 4.939,1183 4.942,1184 6.741,1185 3.889,1186 15.828,1187 4.851,1188 10.353,1189 1.443,1190 1.503,1191 1.551,1192 1.44,1193 1.441,1194 1.776,1195 0.455,1196 3.912,1197 1.372,1198 3.953,1199 3.983,1200 3.891,1201 3.872,1202 7.435,1203 3.872,1204 3.61,1205 3.679,1206 3.504,1207 3.393,1208 4.818,1209 3.401,1210 3.505,1211 3.577,1212 3.387,1213 3.203,1214 4.363,1215 3.244,1216 3.182,1217 3.285,1218 2.938,1219 2.977,1220 4.244,1221 2.952,1222 3.011,1223 3.054,1224 2.826,1225 2.77,1226 4.02,1227 2.775,1228 2.874,1229 3.009,1230 2.604,1231 2.618,1232 3.814,1233 2.6,1234 2.78,1235 2.852,1236 2.525,1237 2.618,1238 3.497,1239 2.57,1240 2.7,1241 2.758,1242 2.499,1243 2.492,1244 3.467,1245 2.503,1246 0.262,1247 0.229,1248 0.394,1249 0.244,1250 0.184,1251 4.196,1252 0.234,1253 3.661,1254 0.137,1255 6.3,1256 0.581,1257 3.91,1258 0.178,1259 2.942,1260 3.741,1261 2.186,1262 9.302,1263 2.851,1264 1.922,1265 1.896,1266 2.043,1267 2.031,1268 1.223,1269 2.036,1270 1.56,1271 1.486,1272 1.809,1273 1.809,1274 0.897,1275 1.806,1276 1.396,1277 1.321,1278 1.689,1279 1.714,1280 0.684,1281 1.709,1282 1.213,1283 1.112,1284 1.598,1285 1.465,1286 0.673,1287 1.516,1288 0.934,1289 0.888,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.929,1295 0.804,1296 1.153,1297 1.239,1298 0.211,1299 1.208,1300 0.797,1301 0.727,1302 1.093,1303 0.998,1304 0.159,1305 1.039,1306 0.663,1307 0.614,1308 0.928,1309 0.909,1311 0.93,1312 3.497,1314 4.762,1316 6.217,1318 7.751,1320 9.329,1322 7.654,1329 2.413,1330 5.066,1332 0.285,1333 2.096,1340 19.687,1341 50.896,1342 104.113,1343 129.69,1344 145.954,1345 145.954,1346 145.954,1347 25.905,1348 5.425,1349 41.57,1350 41.57,1351 6,1352 11.487,1353 3,1354 2.322,1355 34.462,1356 43,1357 40,1358 0.427,1359 128.357,1360 221.92,1361 304.95,1362 1080,1364 12.129,1365 0.758,1366 0.634,1367 12.129,1368 10.15,1369 7.541,1370 0.471,1371 0.325,1372 5.097,1373 7.147,1374 4.803,1375 4.136,1376 7.541,1377 5.202,1378 6.645,1379 0.316,1380 0.183,1381 6.645,1382 3.852,1383 5.051,1384 0.21,1385 0.105,1386 5.051,1387 2.53,1388 3.304,1389 0.127,1390 0.05,1391 3.304,1392 1.294,1393 2.45,1394 0.084,1395 0.027,1396 2.45,1397 0.792,1398 0.647,1399 47.941,1400 0.322,1401 16.165,1402 1.222,1403 74,1404 239.449,1405 83.889,1406 226.354,1407 299.04,1408 210,1409 82,1410 212.078,1411 90.646,1412 215.655,1413 306.47,1414 198,1415 7}
{0 CHEMBL188325,1 1.472,2 12.379,3 3.641,4 13.258,5 118.408,6 7.429,7 0.5,8 4.093,9 4.196,10 3.71,11 3.688,12 5.133,13 3.633,14 4.654,15 4.823,16 4.097,17 4.109,18 5.601,19 4.035,20 4.883,21 5.05,22 4.187,23 4.294,24 5.857,25 4.177,26 5.076,27 5.313,28 4.116,29 4.296,30 5.966,31 4.147,32 4.989,33 5.217,34 4.048,35 4.227,36 5.904,37 4.076,38 4.889,39 5.108,40 3.884,41 4.183,42 5.787,43 4.006,44 4.837,45 5.088,46 3.724,47 4.016,48 5.778,49 3.831,50 4.535,51 4.755,52 3.619,53 3.809,54 5.488,55 3.665,56 0.021,57 0.726,58 12.119,59 5.657,60 8.47,61 7.047,62 0.244,63 1.257,64 24.538,65 9.478,66 19.567,67 11.688,68 0.272,69 1.551,70 31.86,71 13.082,72 27.648,73 16.326,74 0.31,75 1.795,76 40.625,77 15.647,78 44.576,79 20.14,80 0.433,81 1.65,82 39.6,83 14.587,84 49.586,85 18.087,86 0.206,87 1.551,88 36.892,89 14.103,90 33.083,91 17.658,92 0.456,93 1.403,94 33.568,95 12.67,96 58.983,97 16.366,98 0.111,99 1.069,100 25.628,101 9.828,102 25.174,103 12.145,104 21,105 46,106 0.242,107 0.561,108 0.744,109 0.821,110 0.835,111 0.841,112 3.408,113 1.009,114 -0.91,115 -1.01,116 -1.12,121 43.6,123 1,126 3,127 3,137 1,138 1,144 8,145 2,146 2,154 2,159 1,176 10,180 3,187 12,189 3,191 1,192 7,200 8,203 3,206 4,214 7,216 2,219 4,221 1,227 9,229 1,239 10,241 2,243 2,244 3,251 4,253 1,256 6,264 3,266 2,269 2,277 5,281 1340,282 19.687,283 19.687,284 19.687,285 19.687,286 19.687,287 17.513,288 19.14,289 11.351,290 20.308,291 15.654,292 15.654,293 15.654,294 15.654,295 15.654,296 12.205,297 22.671,298 5.228,299 16.497,300 4.309,301 2.364,302 1.255,303 0.782,304 0.696,305 0.659,306 4.102,311 1,312 1,313 778,314 3.536,317 67.755,318 290.838,321 129.172,325 2.048,326 21.723,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 61.5,338 359,339 4.581,340 3.728,341 7,342 4.234,343 3.311,344 4.507,345 1.31,346 11.92,347 3.083,348 4.365,349 3.586,350 6.509,351 4.084,352 3.136,353 3.706,354 0.86,355 10.263,356 2.96,357 4.174,358 3.242,359 6.265,360 3.828,361 2.847,362 3.53,363 0.86,364 9.359,365 2.784,366 3.881,367 2.729,368 5.875,369 3.444,370 2.492,371 3.347,372 0.359,373 8.088,374 2.397,375 3.779,376 2.6,377 5.302,378 3.379,379 2.396,380 3.105,381 0.13,382 6.795,383 2.304,384 3.268,385 2.242,386 5.092,387 2.811,388 1.847,389 2.475,391 5.777,392 1.766,393 3.178,394 2.215,395 4.717,396 2.698,397 1.771,398 2.471,400 5.118,401 1.626,402 2.872,403 1.648,404 3.943,405 2.434,406 1.437,407 2.025,409 3.077,410 1.432,411 2.5,412 1.535,413 3.802,414 2,415 1.136,416 1.5,418 2.841,419 1,420 2.444,421 1.427,422 3.786,423 1.99,424 1,425 1.376,427 2.372,428 0.983,429 2.399,430 1.409,431 3.615,432 1.984,433 1,434 1.22,436 2.158,437 0.957,438 2.066,439 1.002,440 3.251,441 1.842,442 0.836,443 1.03,445 2.136,446 0.817,447 1.554,448 1,449 3.247,450 1.21,451 0.362,452 0.394,454 0.491,455 0.304,456 1.485,457 0.518,458 2.887,459 1.122,460 0.241,461 0.311,463 0.458,464 0.209,465 1.254,466 0.437,467 2.751,468 1.035,469 0.049,470 0.057,472 0.131,473 0.048,474 14.233,475 0.491,476 0.749,477 0.026,478 36.25,479 1.25,480 18,481 0.621,482 18.25,483 0.629,484 26.198,485 0.903,486 31.067,487 0.565,488 26.938,489 0.929,490 7.297,491 0.252,492 6.712,493 0.231,494 0.129,495 0.028,496 0.281,501 0.782,502 1.238,503 0.77,504 1.018,505 0.597,506 0.968,507 1.3,508 0.754,509 0.863,510 0.684,511 0.71,512 0.721,513 0.756,514 1.211,515 1.06,516 1.202,517 0.747,518 1.165,519 0.897,520 1.013,521 0.868,522 0.975,523 1.184,524 0.977,525 1.117,526 0.929,527 1.063,528 0.979,529 1.256,530 0.955,531 0.693,532 1.22,533 1.332,534 1.348,535 1.06,536 1.203,537 0.68,538 0.975,539 1.009,540 1.005,541 1.252,542 1.009,543 0.745,544 1.203,545 1.198,546 1.292,547 0.868,548 1.079,549 7,550 0.204,551 3.556,552 2.417,553 1.974,554 1.011,555 0.777,556 0.426,557 0.376,558 0.136,559 11463,560 27286,561 2.082,562 47.3,564 24,569 2,572 1.716,573 1.944,574 3.601,575 -0.819,577 1,582 80.969,583 1.472,584 3.417,585 4.526,586 4.999,587 5.086,588 5.122,589 3.099,590 4.03,591 4.827,592 3.762,593 1527.4,594 8.388,595 20944,597 1,599 1,600 317.975,601 1.548,602 4.781,603 0.219,604 0.009,605 0.077,606 0.051,607 0.047,608 0.026,609 0.023,610 0.015,611 0.014,612 0.005,613 0.487,614 0.33,615 1,616 0.828,617 148.699,618 0.014,619 -0.147,620 0.085,621 -0.032,622 -0.01,623 -0.001,624 -0.171,625 0.345,626 0.104,627 0.287,628 -0.005,629 0.221,630 0.09,631 -0.174,632 -0.077,633 -0.178,634 0.073,635 -0.18,636 0.012,637 -0.049,638 0.083,639 -0.012,640 -0.033,641 0.01,642 -0.04,643 0.057,644 0.005,645 0.043,646 -0.08,647 0.029,648 -0.013,649 -0.213,650 -0.188,651 -0.239,652 -0.048,653 -0.178,654 0.201,655 -0.018,656 0.004,657 -0.009,658 0.094,659 -0.01,660 0.061,661 -0.205,662 -0.057,663 -0.197,664 0.152,665 -0.062,666 1.518,667 6.12,668 0.724,669 31.125,670 0.995,671 1.113,672 -0.321,673 0.103,674 0.682,675 3.497,676 3.85,677 4.127,678 4.382,679 4.625,680 4.718,681 4.844,682 4.97,683 4.997,684 5.063,685 7.22,686 0.635,687 408.58,688 3.497,689 5.056,690 5.916,691 6.81,692 7.688,693 8.586,694 9.47,695 10.371,696 11.259,697 12.161,698 1.8,712 1,714 2,715 8,719 1,720 4,722 16,727 1,739 2,741 55,743 18,744 2,745 32,747 58,748 24,749 14,750 5,751 7,752 3,756 4,757 5,767 1,770 1,772 17,773 7,777 2,782 1,784 1,786 2,790 1,793 26,794 3,796 5,797 1,802 1,803 1,807 1,808 0.75,809 3,828 1,829 3,832 1,849 1,850 1,859 3,862 1,864 3,868 29,876 4,878 2,883 1,888 1,893 5.5,896 1,898 2,901 14.917,902 10.917,903 6.403,904 3.278,907 3.221,908 1.415,909 0.971,910 5.751,911 10.976,912 3.761,913 4.379,914 4.971,915 5.546,916 6.088,917 6.425,918 6.811,919 7.2,920 7.29,921 7.459,922 1,923 47,924 10.755,926 4.546,927 0.026,929 7.592,931 20.95,933 17.437,936 2.092,937 60.667,939 1,940 1,941 306.049,942 182.247,945 47.145,947 31.278,948 150.969,949 353.193,951 30.162,952 8.852,953 85.286,954 30.278,955 41.431,956 2.104,957 337.326,959 306.049,960 150.969,961 47.145,962 31.278,964 282.506,965 70.687,968 8.852,969 132.641,970 9.476,971 31.278,972 306.049,973 47.145,974 182.247,977 306.049,978 66.798,979 115.449,981 47.145,982 306.049,983 47.145,984 182.247,986 0.585,987 0.35,988 0.185,989 0.102,990 23,991 10,992 0.103,993 6,994 1,995 1.095,996 4.064,997 256.157,998 0.095,999 21,1000 136.881,1001 1,1005 20.118,1006 8.29,1007 4.239,1008 2.046,1009 47.145,1010 16.415,1014 1.519,1015 3.487,1018 535.44,1019 42,1024 13.12,1026 2.139,1028 1.078,1031 54.705,1032 61.237,1034 0.255,1035 0.591,1036 0.783,1037 0.865,1038 0.88,1039 0.886,1040 5.017,1041 1.437,1042 5.938,1043 5.118,1044 4.533,1045 5.066,1046 1.941,1047 6.797,1048 4.436,1049 6.248,1050 1.136,1051 7.533,1052 3.077,1053 4.29,1054 4.966,1055 0.931,1056 7.972,1057 4.122,1058 7.583,1059 1,1060 9.234,1061 2.841,1062 6.225,1063 7.301,1064 1.899,1065 10.981,1066 6.03,1067 8.953,1068 1,1069 10.997,1070 2.372,1071 6.792,1072 8.003,1073 1.505,1074 12.942,1075 6.508,1076 10.353,1077 0.836,1078 12.8,1079 2.158,1080 8.226,1081 9.833,1082 2.073,1083 15.532,1084 7.916,1085 11.771,1086 0.362,1087 14.629,1088 2.136,1089 9.133,1090 10.915,1091 2.008,1092 17.787,1093 8.731,1094 13.205,1095 0.241,1096 16.477,1097 0.491,1098 10.389,1099 12.542,1100 2.401,1101 20.263,1102 9.949,1103 3.311,1104 0.049,1105 18.338,1106 0.458,1107 11.443,1108 13.822,1109 2.509,1110 22.633,1111 10.916,1112 3.136,1113 11.92,1114 20.21,1115 0.131,1116 12.636,1117 15.365,1118 2.827,1119 25.083,1120 12.059,1121 2.847,1122 10.263,1123 22.091,1124 4.507,1125 13.754,1126 16.75,1127 3.021,1128 27.502,1129 13.095,1130 2.492,1131 9.359,1132 23.979,1133 3.706,1134 14.928,1135 18.259,1136 3.309,1137 29.95,1138 14.209,1139 2.396,1140 8.088,1141 25.872,1142 3.53,1143 16.076,1144 19.7,1145 3.544,1146 32.392,1147 15.279,1148 1.847,1149 6.795,1150 27.771,1151 3.347,1152 17.246,1153 21.199,1154 3.819,1155 34.846,1156 16.384,1157 1.771,1158 5.777,1159 29.674,1160 3.105,1161 18.408,1162 22.668,1163 4.073,1164 37.3,1165 17.47,1166 10897,1167 16995,1168 21.266,1169 37.534,1170 48.339,1171 49.75,1172 50.081,1173 47.692,1174 47.724,1175 62.106,1176 7.037,1177 141.966,1178 45.338,1179 5.529,1180 5.728,1181 6.802,1182 5.354,1183 5.311,1184 7.507,1185 2.17,1186 18.926,1187 5.083,1188 14.095,1189 1.511,1190 1.555,1191 1.565,1192 1.49,1193 1.491,1194 1.941,1195 0.22,1196 4.436,1197 1.417,1198 4.107,1199 4.118,1200 4.341,1201 4.115,1202 7.427,1203 4.068,1204 3.989,1205 4.028,1206 3.918,1207 3.888,1208 4.969,1209 3.885,1210 3.829,1211 3.866,1212 3.75,1213 3.736,1214 4.758,1215 3.735,1216 3.556,1217 3.573,1218 3.599,1219 3.419,1220 4.535,1221 3.416,1222 3.357,1223 3.405,1224 3.308,1225 3.191,1226 4.496,1227 3.189,1228 3.249,1229 3.314,1230 3.077,1231 2.967,1232 4.429,1233 2.97,1234 3.083,1235 3.16,1236 2.919,1237 2.893,1238 3.952,1239 2.878,1240 3.027,1241 3.111,1242 2.87,1243 2.854,1244 3.745,1245 2.833,1246 0.143,1247 0.117,1248 0.219,1249 0.132,1250 0.103,1251 4.581,1252 0.141,1253 3.728,1254 0.041,1255 7,1256 0.373,1257 4.234,1258 0.096,1259 3.311,1260 4.507,1261 1.31,1262 11.92,1263 3.083,1264 1.968,1265 1.927,1266 2.116,1267 2.128,1268 1.437,1269 2.129,1270 1.908,1271 1.903,1272 1.987,1273 1.987,1274 1.14,1275 1.983,1276 1.84,1277 1.809,1278 1.959,1279 1.939,1280 1.114,1281 1.957,1282 1.532,1283 1.515,1284 1.655,1285 1.671,1286 0.848,1287 1.676,1288 1.285,1289 1.231,1290 1.578,1291 1.526,1292 0.717,1293 1.542,1294 1.217,1295 1.172,1296 1.57,1297 1.511,1298 0.624,1299 1.532,1300 1.179,1301 1.101,1302 1.448,1303 1.386,1304 0.58,1305 1.439,1306 1.08,1307 0.995,1308 1.392,1309 1.288,1310 0.57,1311 1.34,1312 4.174,1314 5.517,1315 2.398,1316 7.059,1317 4.727,1318 8.684,1319 6.843,1320 10.351,1322 5.517,1328 3.645,1330 10.769,1335 0.932,1340 34.938,1341 80.969,1342 187.959,1343 248.955,1344 274.955,1345 279.71,1346 281.71,1347 48.596,1348 7.754,1349 35.53,1350 63.77,1351 23,1352 12.684,1353 4.248,1354 3.459,1355 44.959,1356 126,1357 123,1358 0.175,1359 216.444,1360 375.06,1361 519.884,1362 25431,1364 20.433,1365 0.705,1366 0.62,1367 20.786,1368 17.974,1369 14.009,1370 0.438,1371 0.336,1372 9.867,1373 13.053,1374 9.45,1375 7.885,1376 14.418,1377 10.761,1378 12.775,1379 0.278,1380 0.199,1381 13.417,1382 9.175,1383 11.035,1384 0.181,1385 0.114,1386 11.857,1387 6.947,1388 8.968,1389 0.114,1390 0.065,1391 9.869,1392 5.15,1393 7.34,1394 0.073,1395 0.038,1396 8.195,1397 3.797,1398 0.279,1399 91.727,1400 0.217,1401 27.795,1402 0.467,1403 156,1404 408.4,1405 191.926,1406 412.052,1407 565.63,1408 388,1409 185,1410 395.442,1411 221.185,1412 422.849,1413 617.6,1414 394,1415 6.282}
{0 CHEMBL188338,1 1.569,2 10.769,3 2.362,4 5.58,5 102.888,6 7.324,7 0.357,8 4.01,9 4.12,10 3.609,11 3.561,12 5.06,13 3.506,14 4.605,15 4.791,16 3.994,17 3.997,18 5.498,19 3.915,20 4.893,21 5.08,22 4.157,23 4.25,24 5.851,25 4.132,26 5.118,27 5.363,28 4.084,29 4.294,30 6.027,31 4.13,32 5.029,33 5.289,34 3.952,35 4.141,36 5.993,37 3.969,38 4.738,39 4.963,40 3.792,41 3.98,42 5.747,43 3.809,44 4.59,45 4.803,46 3.636,47 3.823,48 5.688,49 3.661,50 4.407,51 4.602,52 3.534,53 3.689,54 5.502,55 3.552,56 0.006,57 0.712,58 11.666,59 5.281,60 9.929,61 6.639,62 0.249,63 1.2,64 24.33,65 8.97,66 21.708,67 11.33,68 0.34,69 1.578,70 33.497,71 12.953,72 35.547,73 16.457,74 0.343,75 1.814,76 43.627,77 15.933,78 56.311,79 20.817,80 0.525,81 1.627,82 43.549,83 14.241,84 77.012,85 18.212,86 0.261,87 1.314,88 34.273,89 11.544,90 48.722,91 14.267,92 0.432,93 1.107,94 28.098,95 9.664,96 63.816,97 11.981,98 0.161,99 0.939,100 22.886,101 8.336,102 41.774,103 10.242,104 36,105 40,106 0.265,107 0.558,108 0.763,109 0.823,110 0.843,111 0.85,112 3.304,113 1.058,114 0.51,115 0.34,116 0.09,121 39.2,123 3,124 1,126 3,127 3,144 3,145 1,146 2,154 2,159 1,160 1,176 5,180 3,187 7,189 2,191 1,192 7,194 1,200 6,203 2,206 5,214 5,219 6,221 1,227 6,232 2,239 5,241 2,243 2,244 2,251 2,253 1,255 1,256 4,266 2,269 4,281 958,282 17.541,283 17.541,284 17.541,285 17.541,286 17.541,287 16.157,288 19.92,289 10.075,290 18.19,291 13.61,292 13.61,293 13.61,294 13.61,295 13.61,296 11.237,297 22.511,298 4.444,299 14.499,300 4.104,301 2.36,302 1.148,303 0.79,304 0.672,305 0.633,306 3.982,310 1,311 1,312 1,313 587,314 3.606,317 56.781,318 72.605,319 95.348,321 108.379,325 1.71,326 25.917,328 1,329 1,330 1,331 1,332 0.9,333 0.5,334 1,335 1,336 0.91,337 56,338 280,339 4.573,340 4.093,341 6.969,342 4.191,343 3.274,344 4.504,345 2.449,346 11.767,347 3.045,348 4.29,349 3.73,350 6.511,351 4.088,352 3.139,353 3.604,354 1.277,355 10.266,356 2.948,357 4.138,358 3.561,359 6.267,360 3.837,361 2.855,362 3.294,363 1.16,364 9.366,365 2.792,366 3.807,367 3.244,368 5.875,369 3.43,370 2.489,371 3.142,372 0.86,373 8.092,374 2.32,375 3.413,376 2.729,377 5.108,378 2.854,379 1.887,380 2.471,381 0.86,382 5.826,383 1.813,384 3.178,385 2.215,386 4.717,387 2.698,388 1.771,389 2.222,391 5.118,392 1.627,393 3.102,394 2.113,395 3.943,396 2.297,397 1.311,398 1.806,400 2.906,401 1.289,402 2.422,403 1.647,404 3.854,405 2.116,406 1.159,407 1.376,409 2.841,410 1.106,411 2.399,412 1.427,413 3.812,414 1.99,415 1.136,416 1.339,418 2.332,419 0.957,420 2.24,421 1.393,422 3.59,423 1.848,424 0.848,425 1.122,427 1.891,428 0.824,429 1.554,430 1.31,431 2.887,432 1.222,433 0.365,434 0.397,436 0.511,437 0.308,438 1.486,439 1.002,440 2.814,441 1.177,442 0.241,443 0.311,445 0.458,446 0.209,447 1.425,448 0.518,449 2.733,450 1.119,451 0.192,452 0.214,454 0.403,455 0.188,456 0.941,457 0.478,458 2.646,459 0.638,460 -0.342,461 -0.355,463 -0.823,464 -0.333,465 0.771,466 -0.063,467 2.403,468 0.359,469 -0.56,470 -0.807,472 -0.959,473 -0.514,474 12.633,475 0.486,476 0.68,477 0.026,478 30,479 1.154,480 13.5,481 0.519,482 16.5,483 0.635,484 25.901,485 0.996,486 29.067,487 0.57,488 21.302,489 0.819,490 5.589,491 0.215,492 6.903,493 0.265,494 0.177,495 0.032,496 0.277,501 0.774,502 1.359,503 0.784,504 1.109,505 0.489,506 1.048,507 1.214,508 0.794,509 0.857,510 0.718,511 0.565,512 0.756,513 0.758,514 1.062,515 0.999,516 1.117,517 0.774,518 1.096,519 0.837,520 1.047,521 0.921,522 1.051,523 0.971,524 1.051,525 1.073,526 0.87,527 1.055,528 0.955,529 1.39,530 0.912,531 0.923,532 1.156,533 1.403,534 1.327,535 1.486,536 1.113,537 0.874,538 1.099,539 1.344,540 1.238,541 1.387,542 1.137,543 0.844,544 1.303,545 1.34,546 1.431,547 0.592,548 1.217,549 6.5,550 0.166,551 3.556,552 2.292,553 1.619,554 1.018,555 0.704,556 0.363,557 0.286,558 0.145,559 7418,560 19425,561 2.005,562 49,563 2,564 18,568 1,569 4,572 1.69,573 1.846,574 3.415,575 -0.76,576 1,577 1,582 80.004,583 1.569,584 3.312,585 4.525,586 4.883,587 5.001,588 5.04,589 2.921,590 4.056,591 4.67,592 3.539,593 1150.21,594 8.09,595 14181.6,597 1,599 1,600 289.294,601 1.648,602 4.606,603 0.232,604 0.01,605 0.089,606 0.051,607 0.042,608 0.031,609 0.024,610 0.015,611 0.012,612 0.007,613 0.513,614 0.33,615 1,616 1.178,617 126.974,618 0.004,619 -0.191,620 0.083,621 -0.054,622 0.058,623 -0.02,624 -0.163,625 0.304,626 0.11,627 0.283,628 0.001,629 0.22,630 0.076,632 -0.029,633 -0.073,634 0.018,635 -0.084,636 -0.002,637 -0.101,638 0.027,639 -0.068,640 -0.024,641 -0.051,642 -0.041,643 0.082,644 0.031,645 0.062,646 -0.125,647 0.068,648 -0.065,649 -0.117,650 -0.139,651 -0.142,652 -0.149,653 -0.084,654 0.138,655 -0.071,656 -0.17,657 -0.119,658 0.014,659 -0.131,660 0.049,661 -0.262,662 -0.178,663 -0.281,664 0.242,665 -0.188,666 1.436,667 6.076,668 0.615,669 23.065,670 0.998,671 1.124,672 -1.744,673 3.04,674 0.662,675 3.367,676 3.714,677 3.989,678 4.22,679 4.419,680 4.605,681 4.71,682 4.796,683 4.771,684 4.787,685 6.261,686 0.616,687 373.54,688 3.367,689 4.92,690 5.778,691 6.671,692 7.547,693 8.444,694 9.328,695 10.227,696 11.114,697 12.013,698 3.9,707 1,712 1,714 2,715 3,719 1,720 3,722 10,727 1,739 2,741 51,743 12,744 1,745 28,747 53,748 20,749 8,750 4,751 2,752 1,756 3,757 4,767 3,768 1,770 3,771 1,772 9,773 10,774 1,777 1,782 1,786 1,789 1,790 1,793 25,794 4,796 6,797 1,802 2,803 1,807 1,808 0.667,809 3,828 1,829 1,830 1,832 1,838 1,859 2,862 1,864 3,868 26,876 6,878 2,880 1,883 1,885 1,888 1,889 1,891 1,893 5.9,896 1,898 2,901 14.083,902 10.2,903 5.903,904 3.196,907 2.181,908 1.3,909 0.926,910 5.843,911 9.461,912 3.611,913 4.163,914 4.731,915 5.311,916 5.829,917 6.26,918 6.636,919 7.005,920 6.981,921 6.978,922 1,923 45,924 9.658,926 4.064,927 0.026,929 7.737,931 18.698,933 15.544,936 2.237,937 58.167,940 1,941 294.278,942 140.689,943 31.059,945 47.145,947 31.278,948 109.411,949 341.422,950 31.059,951 30.162,952 13.921,953 28.429,954 46.88,955 66.119,956 2.104,957 325.555,959 294.278,960 140.471,961 47.145,962 31.278,964 247.193,965 94.229,968 44.98,969 95.49,971 31.278,972 294.278,973 78.204,974 140.689,977 294.278,978 65.496,979 58.591,980 16.602,981 78.204,982 294.278,983 78.204,984 140.689,986 0.579,987 0.354,988 0.187,989 0.096,990 19,991 9,992 0.094,993 5,994 1,995 1.125,996 3.655,997 218.081,998 0.125,999 16,1000 122.211,1001 1,1005 19.134,1006 7.939,1007 4.05,1008 2.041,1009 78.204,1010 5.831,1014 1.522,1015 2.16,1018 513.17,1019 36,1024 13.076,1028 0.231,1031 50.923,1032 57.32,1034 0.277,1035 0.584,1036 0.798,1037 0.861,1038 0.882,1039 0.888,1040 4.887,1041 1.159,1042 5.808,1043 2.906,1044 4.394,1045 4.848,1046 3.044,1047 6.681,1048 4.28,1049 6.113,1050 1.136,1051 7.418,1052 2.841,1053 4.205,1054 4.82,1055 0.931,1056 7.915,1057 4.02,1058 7.451,1059 0.848,1060 9.133,1061 2.332,1062 6.107,1063 7.064,1064 4.405,1065 10.902,1066 5.884,1067 8.822,1068 0.365,1069 10.91,1070 1.891,1071 6.723,1072 7.859,1073 1.525,1074 12.893,1075 6.416,1076 10.222,1077 0.241,1078 12.724,1079 0.511,1080 8.131,1081 9.625,1082 6.09,1083 15.465,1084 7.789,1085 11.641,1086 0.192,1087 14.563,1088 0.458,1089 9.069,1090 10.786,1091 2.806,1092 17.725,1093 8.641,1094 13.074,1095 -0.342,1096 16.418,1097 0.403,1098 10.309,1099 12.379,1100 7.854,1101 20.187,1102 9.837,1103 3.274,1104 -0.56,1105 18.285,1106 -0.823,1107 11.377,1108 13.715,1109 4.631,1110 22.55,1111 10.823,1112 3.139,1113 11.767,1114 20.161,1115 -0.959,1116 12.56,1117 15.245,1118 9.636,1119 24.985,1120 11.952,1121 2.855,1122 10.266,1123 22.044,1124 4.504,1125 13.68,1126 16.665,1127 6.58,1128 27.392,1129 12.996,1130 2.489,1131 9.366,1132 23.933,1133 3.604,1134 14.846,1135 18.173,1136 11.423,1137 29.826,1138 14.099,1139 1.887,1140 8.092,1141 25.826,1142 3.294,1143 15.989,1144 19.635,1145 8.529,1146 32.253,1147 15.168,1148 1.771,1149 5.826,1150 27.724,1151 3.142,1152 17.151,1153 21.136,1154 13.211,1155 34.693,1156 16.263,1157 1.311,1158 5.118,1159 29.625,1160 2.471,1161 18.306,1162 22.618,1163 10.459,1164 37.132,1165 17.344,1166 7391,1167 12081,1168 18.087,1169 33.779,1170 42.625,1171 45.722,1172 44.211,1173 41.314,1174 41.332,1175 51.601,1176 13.214,1177 123.555,1178 38.852,1179 5.52,1180 6.093,1181 6.687,1182 5.314,1183 5.274,1184 7.504,1185 4.89,1186 18.77,1187 5.045,1188 14.753,1189 1.522,1190 1.633,1191 1.579,1192 1.476,1193 1.476,1194 1.843,1195 0.472,1196 4.413,1197 1.388,1198 4.101,1199 4.107,1200 4.341,1201 4.113,1202 7.426,1203 4.064,1204 3.941,1205 4,1206 3.839,1207 3.781,1208 6.818,1209 3.784,1210 3.635,1211 3.672,1212 3.626,1213 3.479,1214 4.968,1215 3.488,1216 3.453,1217 3.486,1218 3.44,1219 3.314,1220 4.528,1221 3.303,1222 3.293,1223 3.368,1224 3.158,1225 3.135,1226 4.496,1227 3.113,1228 3.249,1229 3.314,1230 3.076,1231 2.996,1232 4.349,1233 3.01,1234 3.208,1235 3.283,1236 3.06,1237 2.967,1238 3.899,1239 2.97,1240 3.062,1241 3.14,1242 2.908,1243 2.846,1244 3.748,1245 2.832,1246 0.163,1247 0.146,1248 0.249,1249 0.15,1250 0.117,1251 4.573,1252 0.161,1253 4.093,1254 0.087,1255 6.969,1256 0.42,1257 4.191,1258 0.109,1259 3.274,1260 4.504,1261 2.449,1262 11.767,1263 3.045,1264 1.909,1265 1.903,1266 2.013,1267 2.047,1268 1.372,1269 2.043,1270 1.81,1271 1.759,1272 1.984,1273 1.988,1274 1.355,1275 1.985,1276 1.779,1277 1.723,1278 1.949,1279 1.913,1280 1.14,1281 1.935,1282 1.432,1283 1.415,1284 1.589,1285 1.562,1286 0.781,1287 1.578,1288 1.272,1289 1.206,1290 1.573,1291 1.519,1292 0.692,1293 1.536,1294 1.221,1295 1.175,1296 1.554,1297 1.495,1298 0.581,1299 1.518,1300 1.183,1301 1.106,1302 1.432,1303 1.428,1304 0.573,1305 1.461,1306 1.057,1307 0.953,1308 1.423,1309 1.324,1310 0.489,1311 1.372,1312 4.043,1314 5.38,1315 2.398,1316 6.907,1317 4.844,1318 8.517,1319 7.018,1320 10.171,1322 5.351,1328 5.107,1330 10.72,1332 0.047,1335 0.751,1338 9.043,1339 2.286,1340 31.433,1341 80.004,1342 168.922,1343 230.764,1344 249.029,1345 255.029,1346 257.029,1347 56.178,1348 7.28,1349 59.32,1350 87.56,1351 18,1352 12.538,1353 3.7,1354 3.17,1355 44.421,1356 98,1357 103,1358 0.227,1359 198.117,1360 345.4,1361 475.166,1362 13144,1364 18.734,1365 0.721,1366 0.633,1367 19.087,1368 16.449,1369 12.492,1370 0.446,1371 0.353,1372 8.977,1373 11.485,1374 8.603,1375 7.172,1376 12.9,1377 9.879,1378 11.17,1379 0.279,1380 0.214,1381 11.813,1382 8.577,1383 9.619,1384 0.181,1385 0.126,1386 10.441,1387 6.684,1388 7.787,1389 0.116,1390 0.074,1391 8.687,1392 4.978,1393 5.921,1394 0.072,1395 0.044,1396 6.776,1397 3.567,1398 0.355,1399 82.974,1400 0.235,1401 24.968,1402 0.627,1403 136,1404 384.045,1405 172.62,1406 385.141,1407 514.95,1408 360,1409 161,1410 346.85,1411 197.546,1412 370.64,1413 537.54,1414 344,1415 6}
{0 CHEMBL188714,1 1.509,2 13.276,3 1.992,4 3.967,5 113.36,6 6.928,7 0.194,8 4.183,9 4.295,10 3.722,11 3.679,12 5.171,13 3.626,14 4.804,15 4.993,16 4.108,17 4.125,18 5.705,19 4.037,20 5.063,21 5.256,22 4.197,23 4.345,24 5.98,25 4.21,26 5.247,27 5.495,28 4.117,29 4.357,30 6.106,31 4.191,32 5.231,33 5.501,34 4.01,35 4.219,36 6.094,37 4.067,38 4.985,39 5.2,40 3.864,41 4.142,42 5.923,43 3.973,44 5.02,45 5.299,46 3.729,47 4.091,48 5.831,49 3.862,50 4.853,51 5.131,52 3.628,53 3.897,54 5.662,55 3.728,56 0.001,57 0.829,58 15.042,59 6.517,60 8.708,61 8.331,62 0.436,63 1.392,64 31.583,65 11.015,66 35.345,67 14.207,68 0.528,69 1.763,70 41.659,71 15.24,72 45.604,73 19.695,74 0.398,75 1.925,76 49.588,77 17.272,78 60.852,79 23.144,80 0.749,81 1.741,82 50.274,83 15.279,84 79.343,85 20.56,86 0.463,87 1.504,88 39.683,89 13.575,90 62.365,91 17.263,92 0.604,93 1.511,94 43.313,95 14.47,96 66.148,97 19.106,98 0.363,99 1.253,100 34.99,101 11.108,102 42.262,103 15.241,104 48,105 44,106 0.248,107 0.507,108 0.755,109 0.798,110 0.826,111 0.831,112 3.407,113 1.09,114 -0.05,115 -0.2,116 -0.39,121 36.1,123 5,124 1,126 4,127 3,129 1,144 2,145 1,146 3,158 1,160 1,176 6,179 1,180 3,187 9,189 2,191 1,192 6,194 2,200 7,203 1,206 5,214 3,216 1,219 10,227 5,229 1,232 2,239 7,243 2,244 4,246 1,251 4,256 4,264 4,266 2,269 2,279 1,281 1374,282 19.35,283 19.35,284 19.35,285 19.35,286 19.35,287 18.341,288 23.729,289 11.065,290 20.121,291 15.064,292 15.064,293 15.064,294 15.064,295 15.064,296 13.218,297 23.59,298 4.995,299 16.014,300 4.422,301 2.844,302 1.337,303 1.07,304 0.902,305 0.869,306 4.084,311 1,312 1,313 806,314 4.243,317 71.936,318 197.312,321 136.365,325 2.078,326 31.259,329 1,330 1,331 0.83,332 0.9,333 1,334 1,335 1,336 0.96,337 63.5,338 385,339 4.433,340 4.688,341 6.995,342 4.215,343 3.299,344 4.091,345 3.389,346 11.899,347 3.024,348 4.313,349 3.838,350 6.437,351 4.066,352 3.12,353 3.341,354 2.475,355 10.099,356 2.949,357 3.98,358 3.678,359 6.068,360 3.709,361 2.747,362 3.253,363 1.975,364 8.762,365 2.653,366 3.658,367 3.435,368 5.708,369 3.425,370 2.444,371 2.917,372 1.215,373 7.471,374 2.386,375 3.535,376 3.173,377 5.308,378 3.262,379 2.279,380 2.667,381 0.86,382 6.845,383 2.21,384 3.333,385 2.767,386 4.933,387 3.123,388 2.152,389 2.347,390 0.86,391 5.633,392 2.06,393 3.093,394 2.4,395 4.717,396 2.698,397 1.771,398 2.285,399 0.317,400 5.118,401 1.628,402 2.463,403 2.376,404 4.117,405 2.254,406 1.292,407 1.415,409 3.497,410 1.221,411 2.223,412 2.096,413 3.943,414 1.984,415 1.136,416 1.204,418 2.841,419 0.983,420 2,421 1.461,422 3.802,423 1.983,424 1,425 1,427 2.372,428 0.946,429 1.779,430 1.132,431 3.42,432 1.605,433 0.603,434 0.657,436 1.384,437 0.594,438 1.498,439 1.077,440 3.016,441 1.258,442 0.384,443 0.405,445 0.568,446 0.331,447 1.473,448 1.054,449 2.887,450 1.207,451 0.352,452 0.38,454 0.481,455 0.299,456 1.388,457 0.823,458 2.739,459 1.121,460 0.241,461 0.271,463 0.458,464 0.209,465 1.113,466 0.719,467 2.465,468 0.921,469 -0.079,470 -0.086,472 -0.175,473 -0.078,474 13.9,475 0.479,476 0.803,477 0.028,478 29,479 1,480 10.5,481 0.362,482 18.5,483 0.638,484 32.288,485 1.113,486 34.4,487 0.564,488 21.28,489 0.734,490 5.421,491 0.187,492 8.448,493 0.291,494 0.192,495 0.029,496 0.288,501 0.761,502 1.488,503 0.825,504 1.235,505 0.542,506 1.152,507 1.076,508 0.872,509 0.959,510 0.826,511 0.594,512 0.834,513 0.782,514 1.16,515 1.123,516 1.207,517 0.93,518 1.194,519 0.777,520 1.146,521 0.949,522 1.136,523 0.974,524 1.101,525 1.23,526 0.762,527 0.904,528 0.772,529 1.192,530 0.801,531 1.223,532 1.14,533 1.315,534 1.203,535 1.561,536 1.216,537 0.492,538 1.001,539 1.129,540 1.141,541 0.746,542 1.027,543 0.799,544 0.928,545 0.932,546 0.963,547 0.787,548 0.866,549 8,550 0.237,551 3.778,552 2.104,553 2.023,554 0.987,555 0.663,556 0.456,557 0.233,558 0.196,559 11252,560 29181,561 1.985,562 52.5,563 3,564 21,568 2,569 6,572 1.713,573 1.822,574 3.686,575 -0.751,577 1,582 92.058,583 1.509,584 3.087,585 4.594,586 4.861,587 5.029,588 5.062,589 3.125,590 4.306,591 4.829,592 3.861,593 1567.49,594 8.377,595 22273.7,597 1,600 361.775,601 1.658,602 4.76,603 0.258,604 0.01,605 0.086,606 0.047,607 0.051,608 0.027,609 0.022,610 0.018,611 0.009,612 0.009,613 0.536,614 0.33,615 1,616 1.311,617 150.556,619 -0.219,620 0.085,621 -0.079,622 0.019,623 -0.03,624 -0.065,625 0.28,626 0.08,627 0.245,628 0.054,629 0.186,630 0.048,631 -0.042,632 -0.098,633 -0.096,634 -0.026,635 -0.141,636 0.004,637 -0.162,638 -0.003,639 -0.136,640 -0.023,641 -0.091,642 -0.117,643 0.148,644 0.068,645 0.137,646 -0.076,647 0.137,648 -0.187,649 -0.108,650 -0.234,651 -0.123,652 -0.204,653 -0.204,654 0.182,655 -0.033,656 -0.013,657 -0.051,658 0.092,659 -0.009,660 0.002,661 0.013,662 0.075,663 0.027,664 0.043,665 0.12,666 1.813,667 5.829,668 0.517,669 32.1,670 1,671 1.13,672 -1.179,673 1.39,674 0.635,675 3.466,676 3.807,677 4.043,678 4.263,679 4.489,680 4.543,681 4.615,682 4.736,683 4.644,684 4.564,685 7.724,686 0.589,687 422.62,688 3.466,689 5.017,690 5.861,691 6.746,692 7.611,693 8.5,694 9.373,695 10.264,696 11.141,697 12.032,698 1.6,712 1,715 2,720 4,722 6,739 2,741 61,743 8,744 1,745 31,747 63,748 22,749 6,750 4,751 2,756 3,757 4,767 4,768 1,770 6,772 8,773 14,774 1,777 2,782 2,786 2,790 1,793 32,794 5,796 7,797 1,802 1,803 1,807 1,808 0.667,809 5,828 1,829 2,832 1,841 1,846 1,859 2,860 1,862 1,864 4,868 29,876 8,878 3,879 1,880 2,883 1,893 8.2,896 2,898 3,901 15.917,902 12.083,903 6.542,904 3.764,907 1.254,908 1.169,909 0.901,910 7.522,911 8.692,912 3.611,913 4.103,914 4.514,915 4.934,916 5.398,917 5.586,918 5.759,919 5.98,920 5.914,921 5.725,922 0.889,923 45,924 10.821,926 4.531,927 0.026,929 7.724,931 21.069,933 17.538,936 2.224,937 64.5,941 376.675,942 138.755,945 83.29,947 32.22,948 106.536,949 459.965,951 41.046,952 18.99,953 18.952,954 62.615,955 48.223,957 408.895,959 376.675,960 106.536,961 83.29,962 32.22,964 306.049,965 153.916,968 18.99,969 87.546,971 32.22,972 376.675,973 83.29,974 138.755,977 376.675,978 78.757,979 59.998,981 83.29,982 376.675,983 83.29,984 138.755,986 0.582,987 0.345,988 0.174,989 0.098,990 20,991 10,992 0.143,993 9,994 1,995 1.133,996 4.026,997 242.177,998 0.133,999 15,1000 136.881,1001 1,1005 22.451,1006 9.716,1007 5.474,1009 83.29,1010 3.975,1015 3.714,1018 598.72,1019 36,1024 24.431,1028 0.189,1031 61.011,1032 68.901,1034 0.254,1035 0.52,1036 0.775,1037 0.82,1038 0.848,1039 0.853,1040 4.894,1041 1.292,1042 5.889,1043 5.118,1044 4.489,1045 4.787,1046 3.814,1047 6.735,1048 4.378,1049 6.083,1050 1.136,1051 7.482,1052 3.497,1053 4.29,1054 4.745,1055 2.869,1056 7.917,1057 4.118,1058 7.403,1059 1,1060 9.177,1061 2.841,1062 6.176,1063 6.834,1064 5.793,1065 10.891,1066 5.955,1067 8.751,1068 0.603,1069 10.932,1070 2.372,1071 6.758,1072 7.544,1073 4.955,1074 12.859,1075 6.447,1076 10.129,1077 0.384,1078 12.726,1079 1.384,1080 8.163,1081 9.197,1082 8.072,1083 15.433,1084 7.81,1085 11.525,1086 0.352,1087 14.547,1088 0.568,1089 9.074,1090 10.232,1091 7.133,1092 17.698,1093 8.618,1094 12.934,1095 0.241,1096 16.387,1097 0.481,1098 10.315,1099 11.736,1100 10.438,1101 20.169,1102 9.807,1103 3.299,1104 -0.079,1105 18.243,1106 0.458,1107 11.369,1108 12.934,1109 9.461,1110 22.549,1111 10.761,1112 3.12,1113 11.899,1114 20.11,1115 -0.175,1116 12.555,1117 14.381,1118 12.836,1119 24.999,1120 11.883,1121 2.747,1122 10.099,1123 21.988,1124 4.091,1125 13.672,1126 15.668,1127 11.903,1128 27.425,1129 12.905,1130 2.444,1131 8.762,1132 23.873,1133 3.341,1134 14.842,1135 17.09,1136 15.248,1137 29.877,1138 14.002,1139 2.279,1140 7.471,1141 25.766,1142 3.253,1143 15.989,1144 18.427,1145 14.406,1146 32.324,1147 15.057,1148 2.152,1149 6.845,1150 27.664,1151 2.917,1152 17.157,1153 19.839,1154 17.666,1155 34.781,1156 16.147,1157 1.771,1158 5.633,1159 29.568,1160 2.667,1161 18.318,1162 21.206,1163 16.931,1164 37.238,1165 17.219,1166 11136,1167 18047,1168 19.879,1169 38.728,1170 45.821,1171 49.904,1172 48.892,1173 45.446,1174 45.639,1175 52.462,1176 22.182,1177 134.856,1178 42.982,1179 5.433,1180 6.688,1181 6.543,1182 5.332,1183 5.299,1184 7.091,1185 6.716,1186 18.653,1187 5.024,1188 17.829,1189 1.478,1190 1.61,1191 1.577,1192 1.466,1193 1.472,1194 1.692,1195 0.716,1196 4.35,1197 1.387,1198 4.024,1199 4.066,1200 4.136,1201 3.976,1202 7.433,1203 3.948,1204 3.954,1205 3.985,1206 3.864,1207 3.809,1208 7.425,1209 3.809,1210 3.687,1211 3.724,1212 3.635,1213 3.525,1214 4.921,1215 3.532,1216 3.535,1217 3.557,1218 3.489,1219 3.353,1220 4.514,1221 3.357,1222 3.385,1223 3.43,1224 3.315,1225 3.151,1226 4.495,1227 3.161,1228 3.248,1229 3.314,1230 3.095,1231 2.983,1232 4.361,1233 2.995,1234 3.236,1235 3.302,1236 3.065,1237 2.958,1238 4.331,1239 2.962,1240 3.111,1241 3.206,1242 2.884,1243 2.941,1244 3.962,1245 2.91,1246 0.143,1247 0.151,1248 0.226,1249 0.136,1250 0.106,1251 4.433,1252 0.132,1253 4.688,1254 0.109,1255 6.995,1256 0.384,1257 4.215,1258 0.098,1259 3.299,1260 4.091,1261 3.389,1262 11.899,1263 3.024,1264 1.933,1265 1.875,1266 2.13,1267 2.128,1268 1.538,1269 2.132,1270 1.868,1271 1.858,1272 1.953,1273 1.966,1274 1.225,1275 1.961,1276 1.673,1277 1.636,1278 1.857,1279 1.855,1280 1.143,1281 1.863,1282 1.482,1283 1.443,1284 1.682,1285 1.696,1286 0.981,1287 1.693,1288 1.295,1289 1.243,1290 1.604,1291 1.578,1292 0.825,1293 1.589,1294 1.21,1295 1.149,1296 1.575,1297 1.522,1298 0.792,1299 1.539,1300 1.19,1301 1.114,1302 1.557,1303 1.486,1304 0.596,1305 1.513,1306 1.153,1307 1.064,1308 1.513,1309 1.376,1310 0.576,1311 1.429,1312 4.143,1314 5.476,1315 2.398,1316 6.999,1317 4.727,1318 8.604,1319 6.843,1320 10.256,1322 6.825,1328 6.834,1330 15.58,1331 1.649,1332 0.558,1335 0.745,1340 35.948,1341 92.058,1342 188.304,1343 280.226,1344 296.491,1345 306.755,1346 308.755,1347 71.13,1348 7.438,1349 61.83,1350 87.13,1351 17,1352 12.563,1353 3.17,1354 2.585,1355 52.919,1356 136,1357 134,1358 0.19,1359 224.355,1360 402.76,1361 539.186,1362 17430,1364 21.018,1365 0.725,1366 0.646,1367 21.372,1368 18.732,1369 13.869,1370 0.447,1371 0.363,1372 10.255,1373 12.683,1374 9.818,1375 8.16,1376 14.277,1377 11.263,1378 12.586,1379 0.286,1380 0.225,1381 13.228,1382 9.882,1383 10.49,1384 0.187,1385 0.14,1386 11.327,1387 7.858,1388 8.051,1389 0.115,1390 0.083,1391 8.923,1392 5.801,1393 6.628,1394 0.075,1395 0.051,1396 7.439,1397 4.492,1398 0.309,1399 92.576,1400 0.224,1401 28.055,1402 0.495,1403 150,1404 443.871,1405 191.129,1406 426.452,1407 562.38,1408 400,1409 175,1410 371.281,1411 214.95,1412 389.342,1413 564.2,1414 360,1415 7.269}
{0 CHEMBL188753,1 1.508,2 11.64,3 3.554,4 12.628,5 102.267,6 7.317,7 0.444,8 3.968,9 4.073,10 3.57,11 3.543,12 5.002,13 3.483,14 4.527,15 4.7,16 3.932,17 3.946,18 5.459,19 3.852,20 4.711,21 4.889,22 4.008,23 4.077,24 5.707,25 3.959,26 4.768,27 4.958,28 3.879,29 4.058,30 5.737,31 3.913,32 4.815,33 5.065,34 3.765,35 3.955,36 5.686,37 3.795,38 4.614,39 4.831,40 3.654,41 3.849,42 5.575,43 3.686,44 4.557,45 4.793,46 3.536,47 3.776,48 5.506,49 3.58,50 4.476,51 4.743,52 3.388,53 3.605,54 5.318,55 3.455,56 0.013,57 0.655,58 11.198,59 5.201,60 7.829,61 6.464,62 0.203,63 1.094,64 23.302,65 8.948,66 20.202,67 10.874,68 0.343,69 1.293,70 29.81,71 11.099,72 32.93,73 13.485,74 0.213,75 1.32,76 30.741,77 11.929,78 35.864,79 14.697,80 0.327,81 1.319,82 33.527,83 11.874,84 39.804,85 15.095,86 0.252,87 1.116,88 27.623,89 10.092,90 36.399,91 12.289,92 0.418,93 1.063,94 27.663,95 10.058,96 45.31,97 12.56,98 0.211,99 0.947,100 23.668,101 8.195,102 24.64,103 10.926,104 26,105 37,106 0.257,107 0.564,108 0.757,109 0.818,110 0.825,111 0.832,112 3.266,113 1.06,114 -3.88,115 -3.84,116 -3.64,121 40.8,122 1,123 3,126 2,127 1,129 1,144 4,145 2,146 3,147 2,158 1,176 6,180 3,187 9,189 3,191 1,192 6,200 7,203 1,206 5,214 5,216 1,219 6,227 6,229 1,239 8,243 2,244 2,246 1,251 5,256 2,264 4,266 2,269 3,279 1,281 930,282 17.143,283 17.143,284 17.143,285 17.143,286 17.143,287 15.565,288 21.002,289 9.95,290 17.772,291 13.119,292 13.119,293 13.119,294 13.119,295 13.119,296 10.471,297 17.96,298 4.48,299 13.911,300 4.107,301 2.313,302 1.179,303 0.822,304 0.781,305 0.74,306 3.948,310 1,311 1,312 1,313 616,314 3.391,317 57.502,318 161.315,321 108.871,325 1.814,326 19.835,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 53.5,338 291,339 4.433,340 4.688,341 6.437,342 4.067,343 3.12,344 4.091,345 3.389,346 10.099,347 2.95,348 4.047,349 3.68,350 6.068,351 3.719,352 2.753,353 3.636,354 1.975,355 8.762,356 2.671,357 3.966,358 3.173,359 5.709,360 3.596,361 2.639,362 3.252,363 0.86,364 7.503,365 2.53,366 3.651,367 2.816,368 5.476,369 3.302,370 2.335,371 2.924,372 0.86,373 7.277,374 2.231,375 3.458,376 2.741,377 5.106,378 3.107,379 2.151,380 2.736,382 6.257,383 2.04,384 3.093,385 2.397,386 4.717,387 2.698,388 1.771,389 2.285,391 5.118,392 1.628,393 2.5,394 2.377,395 4.114,396 2.249,397 1.287,398 1.5,400 3.485,401 1.216,402 2.474,403 2.096,404 3.943,405 1.984,406 1.136,407 1.432,409 2.841,410 0.983,411 2.223,412 1.143,413 3.414,414 1.983,415 1,416 1.204,418 2.275,419 0.946,420 1.899,421 1.054,422 3.101,423 1.666,424 0.671,425 0.768,427 1.341,428 0.661,429 1.55,430 1,431 2.887,432 1.34,433 0.381,434 0.416,436 0.58,437 0.345,438 1.472,439 0.824,440 2.755,441 1.205,442 0.312,443 0.357,445 0.467,446 0.288,447 1.388,448 0.643,449 2.644,450 1.12,451 0.241,452 0.271,454 0.458,455 0.208,456 0.836,457 0.263,458 2.402,459 0.53,460 -0.474,461 -0.572,463 -0.917,464 -0.472,465 0.704,466 0.102,467 2.22,468 0.294,469 -0.667,470 -0.801,472 -1.543,473 -0.616,474 12.233,475 0.489,476 0.533,477 0.021,478 29.5,479 1.18,480 14,481 0.56,482 15.5,483 0.62,484 22.461,485 0.898,486 27.667,487 0.565,488 19.984,489 0.799,490 5.623,491 0.225,492 6.516,493 0.261,494 0.15,496 0.319,501 0.766,502 1.265,503 0.785,504 1.065,505 0.588,506 1.02,507 1.194,508 0.898,509 0.961,510 0.852,511 0.755,512 0.828,513 0.982,514 1.024,515 1.135,516 1.11,517 1.199,518 1.032,519 1,520 1.253,521 1.165,522 1.297,523 1.355,524 1.25,525 1.04,526 0.922,527 0.928,528 0.948,529 0.84,530 0.928,531 1.2,532 1.036,533 1.203,534 1.102,535 1.612,536 1.07,537 0.467,538 1.068,539 1.229,540 1.218,541 0.841,542 1.1,543 0.837,544 0.889,545 0.818,546 0.872,547 0.762,548 0.819,549 5.5,550 0.134,551 2.889,552 1.417,553 1.592,554 0.876,555 0.481,556 0.334,557 0.184,558 0.116,559 7428,560 17893,561 2.038,562 49,563 2,564 13,566 2,568 2,569 5,572 1.675,573 1.899,574 3.505,575 -0.79,577 1,582 73.888,583 1.508,584 3.302,585 4.436,586 4.793,587 4.834,588 4.875,589 2.973,590 4.004,591 4.612,592 3.653,593 1095.95,594 7.953,595 13639.1,597 1,599 1,600 275.121,601 1.44,602 4.569,603 0.204,604 0.008,605 0.078,606 0.037,607 0.05,608 0.031,609 0.019,610 0.015,611 0.009,612 0.006,613 0.458,614 0.33,615 1,616 0.976,617 122.501,618 0.009,619 -0.138,620 0.082,621 -0.032,622 0.003,623 -0.006,624 -0.132,625 0.188,626 0.081,627 0.197,628 -0.042,629 0.156,630 0.031,631 0.042,632 -0.042,633 -0.025,634 -0.05,635 -0.034,636 -0.053,637 -0.254,638 -0.153,639 -0.252,640 -0.13,641 -0.247,642 -0.031,643 0.02,644 0.067,645 0.025,646 0.048,647 0.051,648 -0.13,649 -0.04,650 -0.104,651 -0.046,652 -0.096,653 -0.081,654 0.336,655 -0.075,656 -0.062,657 -0.105,658 0.241,659 -0.079,660 0.025,661 0.046,662 0.133,663 0.074,664 0.098,665 0.165,666 1.355,667 5.631,668 0.6,669 24.096,670 0.996,671 1.119,672 2.648,673 7.014,674 0.669,675 3.332,676 3.638,677 3.912,678 4.127,679 4.357,680 4.431,681 4.489,682 4.585,683 4.522,684 4.407,685 6.706,686 0.621,687 358.52,688 3.332,689 4.86,690 5.707,691 6.575,692 7.442,693 8.317,694 9.192,695 10.07,696 10.95,697 11.831,698 2,708 1,715 6,720 5,721 1,722 12,739 2,741 49,743 13,744 1,745 27,747 51,748 20,749 11,750 4,751 2,756 3,757 4,763 1,767 2,770 4,772 12,773 8,777 1,782 1,786 1,789 1,790 1,793 24,794 3,796 5,797 1,802 1,803 1,808 0.667,809 3,822 1,828 1,829 2,832 1,841 1,859 2,860 1,862 1,864 3,868 25,876 4,878 2,879 1,880 1,893 6.1,896 1,898 2,901 13.167,902 9.75,903 5.75,904 3.069,907 2.158,908 1.303,909 0.948,910 6.024,911 9.285,912 3.555,913 4.111,914 4.64,915 5.116,916 5.648,917 5.771,918 5.904,919 6.111,920 6.157,921 6.042,922 0.875,923 38,924 9.275,926 3.839,927 0.026,929 7.627,931 18.036,933 14.671,936 2.127,937 53.167,939 1,940 1,941 282.506,942 152.062,943 1.899,945 47.145,947 32.22,948 119.843,949 329.651,950 1.899,951 30.591,952 9.709,953 37.905,954 55.72,955 58.503,957 291.184,959 282.506,960 121.742,961 47.145,962 32.22,964 223.651,965 106,968 36.629,969 83.213,970 1.899,971 32.22,972 282.506,973 49.044,974 152.062,977 282.506,978 65.471,979 88.49,981 47.145,982 282.506,983 49.044,984 152.062,986 0.572,987 0.349,988 0.18,989 0.1,990 17,991 8,992 0.137,993 7,994 1,995 1.133,996 3.741,997 198.031,998 0.133,999 15,1000 112.096,1001 1,1005 18.277,1006 8.24,1007 4.183,1009 47.145,1010 12.311,1015 4.949,1016 2.121,1018 483.612,1019 34,1024 12.631,1028 0.311,1031 48.822,1032 54.821,1034 0.269,1035 0.588,1036 0.79,1037 0.854,1038 0.861,1039 0.868,1040 4.787,1041 1.136,1042 5.687,1043 3.485,1044 4.317,1045 4.796,1046 3.491,1047 6.482,1048 4.214,1049 5.975,1050 1,1051 7.241,1052 2.841,1053 3.892,1054 4.605,1055 2.036,1056 7.345,1057 3.751,1058 7.276,1059 0.671,1060 8.888,1061 2.275,1062 5.905,1063 6.933,1064 5.624,1065 10.392,1066 5.716,1067 8.612,1068 0.381,1069 10.588,1070 1.341,1071 6.293,1072 7.519,1073 4.168,1074 12.04,1075 6.05,1076 9.976,1077 0.312,1078 12.32,1079 0.58,1080 7.757,1081 9.341,1082 7.986,1083 14.599,1084 7.48,1085 11.359,1086 0.241,1087 14.075,1088 0.467,1089 8.514,1090 10.282,1091 6.596,1092 16.585,1093 8.172,1094 12.756,1095 -0.474,1096 15.845,1097 0.458,1098 9.76,1099 11.894,1100 10.393,1101 18.973,1102 9.385,1103 3.12,1104 -0.667,1105 17.626,1106 -0.917,1107 10.697,1108 13.025,1109 9.16,1110 21.119,1111 10.253,1112 2.753,1113 10.099,1114 19.417,1115 -1.543,1116 11.854,1117 14.534,1118 12.812,1119 23.443,1120 11.373,1121 2.639,1122 8.762,1123 21.216,1124 4.091,1125 12.881,1126 15.774,1127 11.751,1128 25.667,1129 12.332,1130 2.335,1131 7.503,1132 23.021,1133 3.636,1134 14.006,1135 17.23,1136 15.235,1137 27.971,1138 13.412,1139 2.151,1140 7.277,1141 24.831,1142 3.252,1143 15.077,1144 18.535,1145 14.332,1146 30.233,1147 14.419,1148 1.771,1149 6.257,1150 26.646,1151 2.924,1152 16.193,1153 19.963,1154 17.659,1155 32.531,1156 15.484,1157 1.287,1158 5.118,1159 28.466,1160 2.736,1161 17.288,1162 21.306,1163 16.895,1164 34.814,1165 16.516,1166 7301,1167 11477,1168 17.8,1169 32.773,1170 39.567,1171 42.951,1172 41.671,1173 39.517,1174 39.596,1175 49.742,1176 14.168,1177 112.923,1178 37.393,1179 5.37,1180 6.688,1181 5.991,1182 5.184,1183 5.12,1184 7.091,1185 6.716,1186 16.854,1187 4.95,1188 13.11,1189 1.465,1190 1.591,1191 1.543,1192 1.464,1193 1.467,1194 1.842,1195 0.525,1196 4.182,1197 1.385,1198 4.02,1199 4.049,1200 4.137,1201 3.977,1202 7.426,1203 3.95,1204 3.951,1205 3.979,1206 3.901,1207 3.847,1208 4.922,1209 3.85,1210 3.65,1211 3.683,1212 3.625,1213 3.504,1214 4.778,1215 3.507,1216 3.442,1217 3.5,1218 3.376,1219 3.293,1220 4.495,1221 3.276,1222 3.296,1223 3.359,1224 3.161,1225 3.116,1226 4.334,1227 3.102,1228 3.247,1229 3.313,1230 3.067,1231 2.958,1232 4.065,1233 2.962,1234 3.07,1235 3.157,1236 2.892,1237 2.856,1238 3.793,1239 2.84,1240 2.869,1241 2.934,1242 2.816,1243 2.746,1244 3.674,1245 2.715,1246 0.164,1247 0.174,1248 0.238,1249 0.151,1250 0.116,1251 4.433,1252 0.152,1253 4.688,1254 0.126,1255 6.437,1256 0.374,1257 4.067,1258 0.109,1259 3.12,1260 4.091,1261 3.389,1262 10.099,1263 2.95,1264 1.935,1265 1.893,1266 2.07,1267 2.084,1268 1.28,1269 2.083,1270 1.868,1271 1.858,1272 1.951,1273 1.965,1274 1.177,1275 1.96,1276 1.647,1277 1.615,1278 1.837,1279 1.815,1280 1.072,1281 1.828,1282 1.444,1283 1.378,1284 1.693,1285 1.624,1286 0.936,1287 1.659,1288 1.257,1289 1.192,1290 1.581,1291 1.524,1292 0.733,1293 1.542,1294 1.192,1295 1.125,1296 1.573,1297 1.504,1298 0.576,1299 1.53,1300 1.163,1301 1.089,1302 1.468,1303 1.378,1304 0.573,1305 1.431,1306 0.886,1307 0.821,1308 1.181,1309 1.08,1310 0.278,1311 1.107,1312 4.007,1314 5.313,1315 2.398,1316 6.817,1317 4.727,1318 8.406,1319 6.843,1320 10.042,1322 5.383,1328 3.104,1330 10.716,1331 1.645,1332 -0.004,1340 30.411,1341 73.888,1342 161.797,1343 217.346,1344 234.856,1345 236.856,1346 238.856,1347 44.823,1348 7.128,1349 39.41,1350 64.71,1351 17,1352 12.367,1353 3.807,1354 3,1355 42.057,1356 100,1357 111,1358 0.206,1359 191.323,1360 334.4,1361 458.588,1362 11508,1364 17.811,1365 0.712,1366 0.633,1367 18.165,1368 15.819,1369 12.139,1370 0.45,1371 0.353,1372 8.612,1373 11.198,1374 8.237,1375 6.863,1376 12.547,1377 9.543,1378 10.409,1379 0.281,1380 0.203,1381 11.052,1382 7.506,1383 9.183,1384 0.187,1385 0.123,1386 10.02,1387 6.04,1388 7.126,1389 0.117,1390 0.072,1391 7.998,1392 4.403,1393 5.797,1394 0.075,1395 0.04,1396 6.608,1397 3.098,1398 0.329,1399 80.336,1400 0.237,1401 24.625,1402 0.546,1403 128,1404 358.4,1405 163.565,1406 357.96,1407 485.62,1408 338,1409 150,1410 331.381,1411 184.354,1412 350.839,1413 511,1414 328,1415 6.552}
{0 CHEMBL188821,1 1.253,2 16.063,3 5.059,4 25.596,5 135.502,6 6.304,7 0.5,8 4.288,9 4.43,10 3.738,11 3.833,12 5.167,13 3.775,14 4.884,15 5.095,16 4.055,17 4.257,18 5.671,19 4.165,20 5.194,21 5.452,22 4.076,23 4.44,24 5.901,25 4.291,26 5.227,27 5.51,28 3.939,29 4.412,30 5.906,31 4.227,32 5.129,33 5.411,34 3.888,35 4.334,36 5.835,37 4.154,38 5.015,39 5.295,40 3.734,41 4.191,42 5.721,43 4.011,44 4.871,45 5.171,46 3.562,47 3.992,48 5.497,49 3.813,50 4.69,51 4.967,52 3.557,53 3.898,54 5.346,55 3.749,56 0.086,57 1.005,58 16.614,59 6.437,60 10.726,61 9.545,62 0.237,63 1.702,64 30.526,65 10.543,66 19.957,67 16.185,68 0.287,69 2.132,70 41.058,71 15.174,72 27.683,73 22.852,74 0.319,75 2.095,76 42.033,77 16.494,78 31.077,79 24.306,80 0.208,81 1.889,82 37.814,83 15.352,84 30.35,85 22.52,86 0.233,87 1.709,88 34.1,89 12.779,90 27.915,91 19.186,92 0.246,93 1.451,94 29.588,95 10.678,96 20.336,97 16.182,98 0.172,99 1.253,100 24.648,101 9.043,102 15.357,103 13.671,105 48,106 0.198,107 0.453,108 0.591,109 0.635,110 0.635,111 0.635,112 3.501,113 1.049,114 -5.14,115 -5.03,116 -4.71,121 41.2,123 6,127 6,144 8,145 2,146 2,147 4,176 10,180 8,187 10,189 6,192 2,200 3,203 4,208 2,214 12,216 4,227 12,229 2,232 2,239 8,241 4,244 4,251 4,253 2,254 1,256 4,264 4,269 2,277 10,279 4,281 1812,282 22.447,283 22.447,284 22.447,285 22.447,286 22.447,287 20.325,288 36.12,289 13.644,290 22.881,291 17.841,292 17.841,293 17.841,294 17.841,295 17.841,296 14.691,297 53.757,298 6.569,299 18.56,300 4.834,301 3.214,302 2.339,303 2.059,304 2.059,305 2.059,306 4.219,312 1,313 1150,314 2.449,318 608.434,325 2.695,326 9.19,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 66,338 514,339 4.18,340 3.115,341 6.143,342 3.831,343 2.883,344 3.761,345 0.8,346 9.058,347 2.741,348 4.148,349 3.109,350 6.143,351 3.816,352 2.873,353 3.701,354 0.8,355 9.057,356 2.709,357 4.026,358 2.954,359 5.649,360 3.688,361 2.714,362 3.574,363 0.522,364 7.879,365 2.641,366 3.757,367 2.789,368 5.504,369 3.46,370 2.522,371 3.033,372 0.522,373 7.475,374 2.371,375 3.602,376 2.366,377 5.127,378 3.213,379 2.273,380 2.889,382 6.349,383 2.13,384 3.32,385 2.152,386 4.887,387 2.983,388 2,389 2.58,391 5.665,392 1.96,393 2.96,394 1.858,395 4.436,396 2.769,397 1.791,398 2.014,400 4.479,401 1.747,402 2.938,403 1.805,404 4.421,405 2.706,406 1.732,407 1.997,409 4.426,410 1.682,411 2.5,412 1.283,413 3.508,414 2.131,415 1.165,416 1.5,418 2.71,419 1.122,420 2.5,421 1.262,422 3.502,423 2.112,424 1.148,425 1.5,427 2.693,428 1.104,429 2.5,430 1.077,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.264,439 1.077,440 3.414,441 1.984,442 1,443 1.251,445 2.275,446 0.983,447 2.255,448 1,449 3.414,450 1.984,451 1,452 1.24,454 2.275,455 0.983,456 2,457 1,458 3.247,459 1.984,460 1,461 1,463 2.136,464 0.983,465 2,466 1,467 3.247,468 1.984,469 1,470 1,472 2.136,473 0.983,474 15.6,475 0.488,476 0.512,477 0.016,478 38,479 1.188,480 17,481 0.531,482 21,483 0.656,484 29.281,485 0.915,486 34.8,487 0.512,488 25.756,489 0.805,490 6.939,491 0.217,492 8.893,493 0.278,496 0.231,501 1.033,502 1.506,503 0.949,504 1.193,505 0.813,506 1.088,507 1.721,508 1.187,509 1.121,510 1.025,511 0.977,512 1.029,513 1.269,514 1.084,515 1.084,516 1.045,517 1.016,518 1.05,519 0.869,520 0.918,521 1.016,522 1.001,523 1.079,524 1.016,525 0.653,526 0.991,527 0.911,528 1.004,529 1.085,530 0.981,531 1.134,532 1.046,533 1.072,534 1.047,535 1.373,536 1.053,537 1.157,538 0.886,539 0.959,540 0.883,541 0.987,542 0.903,543 1.137,544 0.991,545 0.93,546 0.915,547 0.789,548 0.909,549 5,550 0.09,551 2.667,552 1.125,553 0.969,554 0.583,555 0.599,556 0.378,557 0.164,558 0.091,559 18962,560 30863,561 2.213,562 52.9,563 4,564 20,566 4,569 8,572 1.734,573 2.182,574 3.939,575 -0.867,582 85.224,583 1.253,584 2.873,585 3.749,586 4.029,587 4.029,588 4.029,589 3.375,590 3.203,591 4.969,592 4.135,593 2050.95,594 8.635,595 32966.7,600 413.947,601 0.811,602 4.975,603 0.139,604 0.003,605 0.056,606 0.024,607 0.024,608 0.015,609 0.019,610 0.014,611 0.006,612 0.003,613 0.302,614 0.33,615 0.88,617 174.515,618 0.143,619 -0.275,620 0.097,621 -0.088,622 0.223,623 -0.014,624 -0.173,625 -0.017,626 -0.068,627 -0.022,628 0.051,629 -0.035,630 -0.112,631 -0.04,632 -0.078,633 -0.053,634 -0.005,635 -0.061,636 0.037,637 0.056,638 -0.038,639 -0.01,640 -0.019,641 -0.026,642 0.057,643 -0.04,644 0.052,645 0.008,646 0.039,647 0.026,648 -0.092,649 -0.054,650 -0.083,651 -0.067,652 -0.189,653 -0.073,654 0.01,655 0.087,656 0.034,657 0.064,658 -0.003,659 0.053,660 -0.014,661 0.015,662 0.069,663 0.061,664 0.125,665 0.069,666 0.585,667 0.513,668 0.938,669 43.781,670 0.979,671 1.127,672 3.906,673 15.26,674 0.65,675 3.611,676 3.892,677 4.143,678 4.369,679 4.615,680 4.575,681 4.745,682 4.86,683 4.92,684 5.03,685 9.213,686 0.596,687 428.68,688 3.611,689 5.13,690 5.964,691 6.812,692 7.656,693 8.507,694 9.354,695 10.206,696 11.055,697 11.907,698 5.9,704 2,708 2,715 12,720 4,721 2,722 18,736 2,741 68,743 18,744 1,745 36,747 72,748 28,749 16,750 2,751 4,756 5,757 5,767 6,770 6,772 16,773 12,793 36,794 2,796 4,802 4,803 2,808 1,822 2,829 5,859 5,868 32,876 12,881 2,901 14.667,902 11.9,903 7.056,904 4.667,907 3.353,908 1.41,909 1.012,910 7.148,911 11.528,912 3.829,913 4.35,914 4.858,915 5.369,916 5.921,917 6.015,918 6.405,919 6.802,920 7.12,921 7.492,922 0.909,923 47,924 11.891,926 4.963,927 0.026,929 7.271,931 24.21,933 20.54,936 1.771,937 56.667,941 423.76,942 151.726,943 10.047,948 151.726,949 423.76,950 10.047,952 27.841,953 75.81,954 50.883,955 54.323,957 376.675,959 423.76,960 161.773,964 329.591,965 94.169,968 64.031,969 93.943,970 3.798,972 423.76,973 10.047,974 151.726,977 423.76,978 39.726,979 122.046,982 423.76,983 10.047,984 151.726,986 0.569,987 0.327,988 0.177,989 0.099,990 23,991 8,992 0.083,993 6,995 1,996 4.705,997 278.646,999 30,1000 108,1005 21.604,1006 10.588,1007 5.777,1009 6.249,1010 27.02,1015 5.407,1016 4.549,1018 585.532,1019 45,1031 66.545,1032 76.636,1034 0.206,1035 0.472,1036 0.616,1037 0.662,1038 0.662,1039 0.662,1040 5.047,1041 1.732,1042 5.9,1043 4.479,1044 4.575,1045 5.037,1046 1.388,1047 6.629,1048 4.496,1049 6.19,1050 1.165,1051 7.398,1052 4.426,1053 3.892,1054 4.543,1055 0.57,1056 7.322,1057 3.721,1058 7.45,1059 1.148,1060 8.992,1061 2.71,1062 6.089,1063 7.09,1064 0.796,1065 10.386,1066 5.916,1067 8.741,1068 1,1069 10.644,1070 2.693,1071 6.256,1072 7.413,1073 0.479,1074 11.926,1075 5.985,1076 10.064,1077 1,1078 12.334,1079 2.275,1080 7.851,1081 9.406,1082 0.483,1083 14.446,1084 7.578,1085 11.408,1086 1,1087 14.051,1088 2.275,1089 8.432,1090 10.116,1091 0.346,1092 16.342,1093 8.068,1094 12.767,1095 1,1096 15.786,1097 2.275,1098 9.746,1099 11.844,1100 0.308,1101 18.659,1102 9.369,1103 2.883,1104 1,1105 17.535,1106 2.136,1107 10.545,1108 12.771,1109 0.237,1110 20.715,1111 10.087,1112 2.873,1113 9.058,1114 19.294,1115 2.136,1116 11.719,1117 14.348,1118 0.2,1119 22.953,1120 11.237,1121 2.714,1122 9.057,1123 21.061,1124 3.761,1125 12.634,1126 15.408,1127 0.158,1128 25.082,1129 12.081,1130 2.522,1131 7.879,1132 22.834,1133 3.701,1134 13.739,1135 16.892,1136 0.13,1137 27.29,1138 13.153,1139 2.273,1140 7.475,1141 24.613,1142 3.574,1143 14.716,1144 18.038,1145 0.104,1146 29.454,1147 14.066,1148 2,1149 6.349,1150 26.396,1151 3.033,1152 15.788,1153 19.461,1154 0.085,1155 31.653,1156 15.098,1157 1.791,1158 5.665,1159 28.182,1160 2.889,1161 16.798,1162 20.663,1163 0.068,1164 33.833,1165 16.048,1166 17214,1167 22090,1168 25.424,1169 44.205,1170 53.091,1171 53.011,1172 53.175,1173 52.998,1174 52.897,1175 65.905,1176 5.286,1177 143.54,1178 50.947,1179 5.18,1180 5.115,1181 5.945,1182 4.866,1183 4.883,1184 6.761,1185 1.322,1186 15.142,1187 4.741,1189 1.475,1190 1.473,1191 1.477,1192 1.472,1193 1.469,1194 1.831,1195 0.147,1196 3.987,1197 1.415,1198 4.064,1199 4.113,1200 3.998,1201 3.954,1202 4.854,1203 3.958,1204 3.967,1205 4.02,1206 3.902,1207 3.827,1208 4.774,1209 3.839,1210 3.871,1211 3.918,1212 3.788,1213 3.776,1214 4.651,1215 3.775,1216 3.758,1217 3.827,1218 3.623,1219 3.609,1220 4.264,1221 3.602,1222 3.717,1223 3.771,1224 3.594,1225 3.591,1226 4.264,1227 3.582,1228 3.284,1229 3.347,1230 3.165,1231 3.155,1232 3.878,1233 3.15,1234 3.113,1235 3.206,1236 2.984,1237 2.941,1238 3.729,1239 2.91,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.674,1245 2.91,1246 0.116,1247 0.087,1248 0.171,1249 0.106,1250 0.08,1251 4.18,1252 0.104,1253 3.115,1254 0.022,1255 6.143,1256 0.252,1257 3.831,1258 0.076,1259 2.883,1260 3.761,1261 0.8,1262 9.058,1263 2.741,1264 1.994,1265 1.957,1266 2.113,1267 2.13,1268 1.404,1269 2.127,1270 1.927,1271 1.879,1272 2.079,1273 2.093,1274 1.404,1275 2.09,1276 1.862,1277 1.817,1278 2.042,1279 1.999,1280 1.26,1281 2.017,1282 1.752,1283 1.69,1284 1.952,1285 1.933,1286 1.118,1287 1.948,1288 1.713,1289 1.659,1290 1.881,1291 1.851,1292 0.991,1293 1.867,1294 1.281,1295 1.224,1296 1.513,1297 1.455,1298 0.825,1299 1.476,1300 1.153,1301 1.064,1302 1.513,1303 1.376,1304 0.825,1305 1.429,1306 1.153,1307 1.064,1308 1.507,1309 1.376,1310 0.76,1311 1.429,1312 4.29,1314 5.58,1316 7.071,1318 8.641,1320 10.247,1328 14.665,1333 5.027,1340 40.514,1341 85.224,1342 195.379,1343 254.928,1344 273.947,1345 273.947,1346 273.947,1347 38.114,1348 8.175,1349 14.24,1350 14.24,1351 30,1352 12.463,1353 4.248,1354 3.322,1355 46.278,1356 182,1357 154,1358 0.122,1359 246.147,1360 421.34,1361 592.359,1362 50120,1364 21.589,1365 0.675,1366 0.603,1367 21.589,1368 19.308,1369 15.832,1370 0.44,1371 0.35,1372 12.471,1373 15.422,1374 12.236,1375 10.148,1376 15.832,1377 12.59,1378 13.716,1379 0.286,1380 0.2,1381 13.716,1382 9.598,1383 11.715,1384 0.189,1385 0.115,1386 11.715,1387 7.155,1388 9.648,1389 0.124,1390 0.067,1391 9.648,1392 5.2,1393 8.191,1394 0.082,1395 0.039,1396 8.191,1397 3.873,1398 0.203,1399 97.364,1400 0.198,1401 31.153,1402 0.307,1403 168,1404 313.956,1405 176.992,1406 316.375,1407 455.14,1408 302,1409 194,1410 352.141,1411 204.991,1412 360.389,1413 524.22,1414 342,1415 7.125}
{0 CHEMBL188823,1 1.37,2 13.074,3 5.148,4 26.502,5 109.438,6 6.628,7 0.533,8 4.087,9 4.207,10 3.572,11 3.632,12 5.062,13 3.586,14 4.663,15 4.854,16 3.896,17 4.04,18 5.517,19 3.967,20 4.917,21 5.139,22 3.926,23 4.195,24 5.71,25 4.075,26 5.058,27 5.322,28 3.797,29 4.183,30 5.784,31 4.02,32 4.974,33 5.254,34 3.717,35 4.093,36 5.677,37 3.926,38 4.898,39 5.168,40 3.619,41 4.018,42 5.621,43 3.86,44 4.78,45 5.043,46 3.488,47 3.917,48 5.499,49 3.75,50 4.641,51 4.906,52 3.349,53 3.782,54 5.329,55 3.607,56 0.097,57 0.757,58 12.918,59 5.565,60 11.383,61 7.583,62 0.183,63 1.269,64 23.895,65 9.164,66 18.097,67 12.854,68 0.204,69 1.575,70 30.897,71 12.048,72 24.366,73 17.113,74 0.436,75 1.698,76 36.561,77 13.314,78 33.685,79 19.226,80 0.295,81 1.56,82 33.34,83 12.5,84 29.653,85 18.236,86 0.32,87 1.449,88 31.204,89 11.065,90 28.765,91 16.059,92 0.289,93 1.286,94 27.595,95 10.208,96 25.387,97 14.577,98 0.255,99 1.097,100 23.885,101 9.207,102 20.695,103 13.099,104 6,105 41,106 0.227,107 0.534,108 0.754,109 0.817,110 0.826,111 0.826,112 3.339,113 0.992,114 -4.81,115 -4.72,116 -4.43,121 41.8,122 1,123 4,124 1,126 1,127 3,144 7,145 3,146 1,148 1,154 1,168 1,176 13,180 9,187 15,192 10,200 10,205 1,206 8,214 6,218 1,219 7,227 11,232 3,239 12,243 1,244 2,251 12,255 1,256 2,264 7,269 5,277 4,281 1107,282 18.679,283 18.679,284 18.679,285 18.679,286 18.679,287 16.746,288 19.118,289 11.101,290 18.992,291 14.77,292 14.77,293 14.77,294 14.77,295 14.77,296 11.862,297 19.74,298 5.235,299 15.174,300 4.412,301 2.551,302 1.226,303 0.841,304 0.791,305 0.791,306 4.041,311 1,312 1,313 774,314 2.828,317 64.087,318 263.145,321 117.914,325 2.008,326 13.599,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 57,338 353,339 4.588,340 3.257,341 6.583,342 4.126,343 3.138,344 4.544,345 0.916,346 10.493,347 3.1,348 3.965,349 3.019,350 5.944,351 3.692,352 2.728,353 3.467,354 0.86,355 8.266,356 2.637,357 3.94,358 2.901,359 5.617,360 3.579,361 2.615,362 3.456,363 0.172,364 7.788,365 2.525,366 3.605,367 2.558,368 5.34,369 3.457,370 2.461,371 2.693,373 6.962,374 2.444,375 3.333,376 2.256,377 5.098,378 3.05,379 2.092,380 2.606,382 5.967,383 1.998,384 3.159,385 2.027,386 4.945,387 2.877,388 1.889,389 2.243,391 5.751,392 1.861,393 2.906,394 1.931,395 4.449,396 2.515,397 1.559,398 2.051,400 4.332,401 1.486,402 2.814,403 1.516,404 3.731,405 2.411,406 1.418,407 1.909,409 3.042,410 1.405,411 2.5,412 1.221,413 3.594,414 2,415 1.022,416 1.5,418 2.477,419 1,420 2.405,421 1.077,422 3.414,423 1.993,424 1,425 1.372,427 2.275,428 0.988,429 2,430 1,431 3.271,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.874,439 0.932,440 3.247,441 1.73,442 0.766,443 0.828,445 1.753,446 0.734,447 1.552,448 0.644,449 2.885,450 1.288,451 0.368,452 0.424,454 0.678,455 0.336,456 1.228,457 0.326,458 2.749,459 1.034,460 0.072,461 0.08,463 0.167,464 0.069,465 0.99,466 0.031,467 2.625,468 0.703,469 -0.273,470 -0.321,472 -0.602,473 -0.265,474 12.967,475 0.48,476 0.533,477 0.02,478 31.5,479 1.167,480 14.5,481 0.537,482 17,483 0.63,484 25.298,485 0.937,486 29.633,487 0.539,488 20.008,489 0.741,490 5.997,491 0.222,492 7.228,493 0.268,494 0.077,496 0.301,501 0.722,502 1.265,503 0.877,504 1.155,505 0.688,506 1.053,507 1.14,508 1.07,509 0.963,510 0.982,511 0.851,512 0.951,513 0.893,514 1.182,515 1.046,516 1.155,517 0.786,518 1.119,519 1.002,520 1.032,521 1.061,522 1.021,523 1.011,524 1.043,525 0.687,526 0.994,527 0.901,528 0.985,529 0.736,530 0.967,531 1.198,532 0.932,533 1.08,534 0.934,535 1.292,536 0.98,537 1.113,538 0.949,539 1.124,540 1.023,541 1.291,542 1.066,543 0.92,544 1.011,545 1.032,546 1.032,547 1.025,548 1.052,549 5,550 0.099,551 2.667,552 1.354,553 1.378,554 0.639,555 0.427,556 0.292,557 0.182,558 0.143,559 10469,560 22240,561 2.142,562 50.9,563 6,564 16,568 2,569 4,572 1.693,573 2.051,574 3.647,575 -0.843,582 75.327,583 1.37,584 3.231,585 4.555,586 4.94,587 4.99,588 4.99,589 3.134,590 4.31,591 4.725,592 3.816,593 1339.42,594 8.16,595 18065.4,600 317.975,601 1.218,602 4.706,603 0.167,604 0.006,605 0.065,606 0.034,607 0.042,608 0.021,609 0.015,610 0.012,611 0.009,612 0.008,613 0.377,614 0.33,615 1,616 0.63,617 137.155,618 0.178,619 -0.081,620 0.088,621 -0.039,622 0.206,623 0.003,624 -0.079,625 0.037,626 0.027,627 0.047,628 0.063,629 0.05,630 -0.033,631 -0.136,632 -0.079,633 -0.139,634 0.065,635 -0.116,636 0.025,637 -0.059,638 -0.075,639 -0.055,640 -0.026,641 -0.073,642 0.086,643 -0.035,644 0.063,645 -0.016,646 0.093,647 0.015,648 -0.137,649 0.052,650 -0.086,651 0.016,652 -0.21,653 -0.021,654 -0.092,655 0.03,656 -0.138,657 -0.055,658 -0.232,659 -0.095,660 0.016,661 -0.071,662 -0.059,663 -0.044,664 -0.116,665 -0.063,666 0.842,667 2.032,668 0.778,669 28.593,670 0.988,671 1.124,672 3.581,673 12.823,674 0.651,675 3.434,676 3.738,677 4.007,678 4.248,679 4.466,680 4.489,681 4.595,682 4.691,683 4.663,684 4.745,685 7.468,686 0.606,687 364.53,688 3.434,689 4.963,690 5.808,691 6.673,692 7.534,693 8.404,694 9.272,695 10.146,696 11.018,697 11.894,698 3.6,701 1,708 1,714 2,715 7,716 1,718 1,720 4,722 16,739 1,741 55,743 16,744 2,745 30,747 58,748 23,749 13,750 5,751 7,756 4,757 5,763 1,767 2,768 1,770 4,772 13,773 10,774 1,793 28,794 4,796 4,801 1,802 2,808 0.75,809 2,828 1,829 3,832 1,855 1,859 3,864 2,868 27,876 7,878 1,880 1,881 1,893 3.6,898 2,901 13.167,902 10.4,903 6,904 3.515,907 2.903,908 1.381,909 0.979,910 5.678,911 10.519,912 3.664,913 4.245,914 4.823,915 5.396,916 5.897,917 6.128,918 6.452,919 6.733,920 6.561,921 6.629,922 0.889,923 40,924 9.998,926 4.164,927 0.026,929 7.42,931 19.947,933 16.714,936 1.92,937 51.833,940 1,941 329.591,942 124.278,943 22.721,945 20.734,948 124.278,949 350.325,950 22.721,951 19.708,952 16.455,953 66.334,954 19.597,955 40.803,956 4.836,957 329.591,959 329.591,960 146.999,961 20.734,964 282.506,965 67.818,968 31.162,969 96.241,970 19.597,972 329.591,973 43.455,974 124.278,977 329.591,978 38.236,979 89.166,981 40.331,982 329.591,983 43.455,984 124.278,986 0.574,987 0.339,988 0.181,989 0.099,990 20,991 8,992 0.103,993 6,994 1,995 1.095,996 4.082,997 223.381,998 0.095,999 21,1000 120.382,1005 18.367,1006 8.347,1007 4.296,1008 1.958,1009 43.455,1010 14.868,1011 4.326,1013 5.532,1015 4.484,1018 497.324,1019 38,1031 54.345,1032 61.813,1034 0.237,1035 0.559,1036 0.788,1037 0.855,1038 0.863,1039 0.863,1040 4.89,1041 1.418,1042 5.771,1043 4.332,1044 4.419,1045 4.931,1046 1.382,1047 6.547,1048 4.371,1049 6.068,1050 1.022,1051 7.305,1052 3.042,1053 3.892,1054 4.677,1055 0.325,1056 7.357,1057 3.819,1058 7.359,1059 1,1060 8.934,1061 2.477,1062 5.979,1063 7.122,1064 1.115,1065 10.436,1066 5.891,1067 8.687,1068 1,1069 10.622,1070 2.275,1071 6.293,1072 7.772,1073 0.393,1074 12.094,1075 6.181,1076 10.051,1077 0.766,1078 12.348,1079 2.136,1080 7.81,1081 9.668,1082 0.921,1083 14.675,1084 7.687,1085 11.441,1086 0.368,1087 14.101,1088 1.753,1089 8.525,1090 10.759,1091 0.384,1092 16.704,1093 8.383,1094 12.851,1095 0.072,1096 15.873,1097 0.678,1098 9.802,1099 12.427,1100 0.764,1101 19.12,1102 9.65,1103 3.138,1104 -0.273,1105 17.661,1106 0.167,1107 10.719,1108 13.737,1109 0.351,1110 21.321,1111 10.551,1112 2.728,1113 10.493,1114 19.461,1115 -0.602,1116 11.895,1117 15.309,1118 0.634,1119 23.682,1120 11.718,1121 2.615,1122 8.266,1123 21.273,1124 4.544,1125 12.914,1126 16.725,1127 0.312,1128 25.961,1129 12.724,1130 2.461,1131 7.788,1132 23.093,1133 3.467,1134 14.051,1135 18.259,1136 0.525,1137 28.307,1138 13.852,1139 2.092,1140 6.962,1141 24.921,1142 3.456,1143 15.123,1144 19.725,1145 0.273,1146 30.623,1147 14.913,1148 1.889,1149 5.967,1150 26.756,1151 2.693,1152 16.247,1153 21.244,1154 0.433,1155 32.967,1156 16.028,1157 1.559,1158 5.751,1159 28.597,1160 2.606,1161 17.347,1162 22.735,1163 0.236,1164 35.299,1165 17.118,1166 9802,1167 14429,1168 20.572,1169 35.819,1170 44.349,1171 44.703,1172 45.2,1173 44.221,1174 44.253,1175 56.345,1176 3.898,1177 124.172,1178 43.131,1179 5.588,1180 5.257,1181 6.385,1182 5.161,1183 5.138,1184 7.544,1185 1.776,1186 17.322,1187 5.1,1188 9.86,1189 1.478,1190 1.49,1191 1.507,1192 1.474,1193 1.475,1194 1.878,1195 0.13,1196 4.139,1197 1.438,1198 4.108,1199 4.122,1200 4.077,1201 4.001,1202 5.262,1203 4.014,1204 3.948,1205 3.992,1206 3.863,1207 3.864,1208 4.757,1209 3.859,1210 3.817,1211 3.864,1212 3.702,1213 3.716,1214 4.714,1215 3.705,1216 3.544,1217 3.591,1218 3.455,1219 3.379,1220 4.32,1221 3.386,1222 3.345,1223 3.407,1224 3.208,1225 3.145,1226 4.207,1227 3.151,1228 3.218,1229 3.295,1230 3.017,1231 2.987,1232 3.947,1233 2.98,1234 3.111,1235 3.206,1236 2.929,1237 2.941,1238 3.743,1239 2.923,1240 3.11,1241 3.185,1242 2.866,1243 2.932,1244 3.674,1245 2.91,1246 0.153,1247 0.109,1248 0.219,1249 0.138,1250 0.105,1251 4.588,1252 0.151,1253 3.257,1254 0.031,1255 6.583,1256 0.35,1257 4.126,1258 0.103,1259 3.138,1260 4.544,1261 0.916,1262 10.493,1263 3.1,1264 1.956,1265 1.937,1266 2.106,1267 2.072,1268 1.487,1269 2.086,1270 1.926,1271 1.893,1272 2.034,1273 2.022,1274 1.223,1275 2.024,1276 1.831,1277 1.784,1278 1.997,1279 1.948,1280 1.149,1281 1.969,1282 1.51,1283 1.453,1284 1.74,1285 1.719,1286 0.995,1287 1.723,1288 1.239,1289 1.179,1290 1.575,1291 1.513,1292 0.825,1293 1.532,1294 1.214,1295 1.157,1296 1.518,1297 1.482,1298 0.705,1299 1.474,1300 1.165,1301 1.087,1302 1.513,1303 1.417,1304 0.602,1305 1.437,1306 1.153,1307 1.064,1308 1.45,1309 1.376,1310 0.575,1311 1.429,1312 4.111,1314 5.416,1315 2.398,1316 6.917,1317 4.727,1318 8.503,1319 6.823,1320 10.134,1322 3.757,1328 8.173,1330 5.378,1332 0.781,1333 2.576,1340 33.321,1341 75.327,1342 177.678,1343 250.549,1344 271.71,1345 274.465,1346 274.465,1347 36.168,1348 7.616,1349 38.5,1350 38.5,1351 23,1352 12.434,1353 4.087,1354 3.17,1355 40.616,1356 123,1357 113,1358 0.161,1359 202.91,1360 345.42,1361 486.86,1362 23301,1364 18.64,1365 0.69,1366 0.603,1367 18.64,1368 16.279,1369 13.225,1370 0.441,1371 0.331,1372 9.806,1373 12.779,1374 9.501,1375 7.907,1376 13.225,1377 9.919,1378 11.582,1379 0.282,1380 0.188,1381 11.582,1382 7.691,1383 10.001,1384 0.185,1385 0.108,1386 10.001,1387 5.808,1388 8.189,1389 0.119,1390 0.06,1391 8.189,1392 4.14,1393 6.648,1394 0.077,1395 0.035,1396 6.648,1397 3.031,1398 0.262,1399 82.438,1400 0.22,1401 26.589,1402 0.416,1403 142,1404 350.761,1405 152.224,1406 337.94,1407 472.62,1408 320,1409 166,1410 358.681,1411 177.805,1412 363.429,1413 525.26,1414 340,1415 8.239}
{0 CHEMBL188917,1 1.465,2 13.813,3 4.05,4 16.406,5 128.227,6 7.104,7 0.457,8 4.237,9 4.345,10 3.807,11 3.788,12 5.236,13 3.734,14 4.824,15 5.001,16 4.18,17 4.208,18 5.725,19 4.129,20 5.11,21 5.304,22 4.308,23 4.423,24 6.012,25 4.307,26 5.288,27 5.527,28 4.223,29 4.454,30 6.128,31 4.293,32 5.281,33 5.544,34 4.134,35 4.363,36 6.095,37 4.191,38 5.086,39 5.321,40 4.062,41 4.298,42 5.936,43 4.131,44 5.027,45 5.249,46 3.99,47 4.266,48 5.948,49 4.102,50 4.991,51 5.215,52 3.916,53 4.23,54 5.874,55 4.065,56 0.025,57 0.859,58 15.059,59 6.783,60 9.519,61 8.569,62 0.296,63 1.459,64 30.166,65 11.317,66 24.874,67 14.327,68 0.483,69 1.89,70 41.855,71 15.795,72 37.899,73 20.237,74 0.404,75 2.143,76 50.781,77 18.849,78 50.807,79 24.579,80 0.66,81 2.048,82 54.307,83 18.504,84 64.159,85 23.7,86 0.371,87 1.813,88 45.528,89 16.06,90 44.435,91 20.402,92 0.524,93 1.707,94 40.397,95 14.958,96 61.276,97 19.277,98 0.327,99 1.642,100 38.031,101 14.694,102 45.764,103 19.118,104 21,105 49,106 0.235,107 0.513,108 0.73,109 0.828,110 0.85,111 0.855,112 3.502,113 1.046,114 -0.88,115 -0.98,116 -1.09,121 40.6,123 3,124 1,126 3,127 4,144 8,145 1,146 3,154 2,159 1,176 9,180 5,187 11,189 2,191 1,192 9,194 1,200 8,203 2,206 6,214 5,219 6,221 1,227 6,229 2,232 2,239 5,241 4,243 2,244 2,251 6,253 2,255 1,256 4,264 8,266 2,269 4,277 6,281 1856,282 21.809,283 21.809,284 21.809,285 21.809,286 21.809,287 19.881,288 24.104,289 12.731,290 22.578,291 17.127,292 17.127,293 17.127,294 17.127,295 17.127,296 14.021,297 29.047,298 5.846,299 18.198,300 4.535,301 2.798,302 1.438,303 0.828,304 0.692,305 0.66,306 4.197,311 1,312 1,313 954,314 3.808,317 75.305,318 218.459,319 122.115,321 143.821,325 2.387,326 25.83,329 1,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.98,337 68.5,338 442,339 4.573,340 3.735,341 6.969,342 4.192,343 3.275,344 4.504,345 1.277,346 11.77,347 3.045,348 4.278,349 3.622,350 6.511,351 4.088,352 3.139,353 3.604,354 1.2,355 10.266,356 2.948,357 4.136,358 3.244,359 6.267,360 3.837,361 2.855,362 3.446,363 0.86,364 9.367,365 2.792,366 3.894,367 2.861,368 5.875,369 3.463,370 2.517,371 3.275,372 0.86,373 8.092,374 2.379,375 3.806,376 2.729,377 5.339,378 3.429,379 2.488,380 3.139,381 0.86,382 6.963,383 2.32,384 3.178,385 2.215,386 5.108,387 2.855,388 1.887,389 2.471,391 5.826,392 1.813,393 3.108,394 2.112,395 4.717,396 2.698,397 1.771,398 2.217,400 5.118,401 1.627,402 2.939,403 1.808,404 3.943,405 2.517,406 1.565,407 2.106,409 3.27,410 1.481,411 2.5,412 1.647,413 3.879,414 2.293,415 1.305,416 1.5,418 2.905,419 1.286,420 2.438,421 1.427,422 3.838,423 2.068,424 1.136,425 1.376,427 2.841,428 1.053,429 2.399,430 1.351,431 3.687,432 2,433 1.116,434 1.371,436 2.505,437 1,438 2.241,439 1.31,440 3.547,441 1.989,442 1,443 1.212,445 2.143,446 0.956,447 2.215,448 1.002,449 3.247,450 1.848,451 0.851,452 1.103,454 2.136,455 0.825,456 1.554,457 1,458 2.965,459 1.236,460 0.366,461 0.397,463 0.602,464 0.31,465 1.485,466 0.594,467 2.887,468 1.193,469 0.241,470 0.311,472 0.467,473 0.227,474 15.567,475 0.486,476 0.749,477 0.023,478 37.25,479 1.164,480 17,481 0.531,482 20.25,483 0.633,484 33.061,485 1.033,486 35.733,487 0.558,488 27.507,489 0.86,490 7.163,491 0.224,492 8.346,493 0.261,494 0.118,495 0.026,496 0.257,501 0.807,502 1.328,503 0.806,504 1.114,505 0.609,506 1.046,507 1.292,508 0.873,509 0.911,510 0.796,511 0.742,512 0.827,513 0.925,514 1.061,515 1.018,516 1.066,517 0.883,518 1.051,519 0.934,520 1.109,521 0.985,522 1.098,523 1.195,524 1.091,525 1.169,526 0.868,527 1.013,528 0.903,529 1.228,530 0.869,531 0.93,532 1.1,533 1.25,534 1.181,535 1.27,536 1.04,537 0.789,538 1.099,539 1.202,540 1.151,541 1.242,542 1.121,543 0.668,544 1.2,545 1.16,546 1.249,547 0.901,548 1.191,549 7,550 0.224,551 3.778,552 2.354,553 1.691,554 1.22,555 0.846,556 0.413,557 0.361,558 0.205,559 15373,560 36503,561 2.074,562 50,563 2,564 25,568 1,569 4,572 1.741,573 1.949,574 3.742,575 -0.805,582 93.789,583 1.465,584 3.202,585 4.562,586 5.172,587 5.308,588 5.34,589 3.257,590 4.375,591 4.967,592 3.925,593 1946.9,594 8.671,595 29271.9,597 1,600 384,601 1.478,602 4.929,603 0.2,604 0.009,605 0.077,606 0.044,607 0.038,608 0.03,609 0.021,610 0.011,611 0.01,612 0.007,613 0.446,614 0.33,615 1,616 0.781,617 170.538,618 0.013,619 -0.169,620 0.088,621 -0.053,622 0.015,623 -0.011,624 -0.155,625 0.238,626 0.074,627 0.205,628 0.002,629 0.148,630 0.051,631 -0.002,632 -0.02,633 -0.041,634 0.047,635 -0.055,636 -0.019,637 -0.133,638 -0.015,639 -0.115,640 -0.033,641 -0.102,642 -0.047,643 0.076,644 0.063,645 0.096,646 -0.047,647 0.103,648 -0.054,649 -0.076,650 -0.075,651 -0.073,652 -0.064,653 -0.027,654 0.08,655 -0.073,656 -0.14,657 -0.097,658 0.014,659 -0.116,660 0.065,661 -0.191,662 -0.15,663 -0.204,664 0.035,665 -0.173,666 1.391,667 6.357,668 0.688,669 39.563,670 0.995,671 1.12,672 -0.353,673 0.125,674 0.661,675 3.584,676 3.912,677 4.174,678 4.394,679 4.605,680 4.754,681 4.86,682 4.956,683 4.977,684 5.05,685 8.012,686 0.613,687 454.66,688 3.584,689 5.13,690 5.979,691 6.858,692 7.723,693 8.607,694 9.48,695 10.367,696 11.245,697 12.136,698 1.6,712 1,714 2,715 8,719 1,720 4,722 16,727 1,739 3,741 64,743 17,744 2,745 35,747 67,748 26,749 14,750 5,751 7,752 1,756 4,757 5,767 3,768 1,770 3,772 15,773 11,774 1,777 1,782 1,786 1,793 32,794 4,796 6,797 1,802 1,803 1,807 1,808 0.75,809 4,828 1,829 2,830 1,832 1,859 3,862 1,864 3,868 32,876 7,878 3,880 1,883 1,888 1,893 6.3,896 1,898 3,901 16.417,902 12.333,903 7.153,904 4.007,907 2.759,908 1.349,909 0.947,910 7.492,911 10.663,912 3.807,913 4.379,914 4.943,915 5.49,916 6.014,917 6.34,918 6.697,919 7.051,920 7.041,921 7.07,922 1,923 53,924 11.905,926 5,927 0.026,929 7.573,931 23.318,933 19.382,936 2.073,937 66.333,941 376.675,942 181.304,945 58.145,947 31.278,948 150.026,949 434.82,951 30.162,952 18.513,953 75.81,954 30.278,955 51.303,956 2.104,957 407.953,959 376.675,960 150.026,961 58.145,962 31.278,964 329.591,965 105.229,968 18.513,969 131.513,971 31.278,972 376.675,973 58.145,974 181.304,977 376.675,978 75.332,979 105.972,981 58.145,982 376.675,983 58.145,984 181.304,986 0.578,987 0.345,988 0.178,989 0.094,990 23,991 10,992 0.119,993 8,994 1,995 1.091,996 4.348,997 286.804,998 0.091,999 22,1000 156,1001 1,1005 23.218,1006 10.326,1007 5.529,1008 2.085,1009 58.145,1010 15.897,1014 1.556,1015 3.141,1018 616.124,1019 44,1024 13.357,1028 0.276,1031 63.683,1032 71.692,1034 0.244,1035 0.534,1036 0.76,1037 0.862,1038 0.885,1039 0.89,1040 5.056,1041 1.565,1042 5.984,1043 5.118,1044 4.595,1045 5.066,1046 2.363,1047 6.819,1048 4.483,1049 6.258,1050 1.305,1051 7.565,1052 3.27,1053 4.29,1054 4.924,1055 0.931,1056 7.972,1057 4.103,1058 7.576,1059 1.136,1060 9.253,1061 2.905,1062 6.26,1063 7.257,1064 2.465,1065 10.965,1066 6.039,1067 8.931,1068 1.116,1069 11.008,1070 2.841,1071 6.792,1072 7.948,1073 1.241,1074 12.923,1075 6.482,1076 10.319,1077 1,1078 12.803,1079 2.505,1080 8.235,1081 9.775,1082 2.716,1083 15.492,1084 7.896,1085 11.728,1086 0.851,1087 14.627,1088 2.143,1089 9.122,1090 10.855,1091 1.521,1092 17.74,1093 8.692,1094 13.153,1095 0.366,1096 16.47,1097 2.136,1098 10.376,1099 12.483,1100 3.058,1101 20.198,1102 9.907,1103 3.275,1104 0.241,1105 18.327,1106 0.602,1107 11.416,1108 13.765,1109 1.818,1110 22.557,1111 10.86,1112 3.139,1113 11.77,1114 20.195,1115 0.467,1116 12.602,1117 15.311,1118 3.455,1119 24.991,1120 11.996,1121 2.855,1122 10.266,1123 22.071,1124 4.504,1125 13.708,1126 16.7,1127 2.132,1128 27.396,1129 13.022,1130 2.517,1131 9.367,1132 23.955,1133 3.604,1134 14.873,1135 18.213,1136 3.885,1137 29.83,1138 14.127,1139 2.488,1140 8.092,1141 25.844,1142 3.446,1143 16.009,1144 19.657,1145 2.46,1146 32.257,1147 15.186,1148 1.887,1149 6.963,1150 27.738,1151 3.275,1152 17.169,1153 21.159,1154 4.334,1155 34.696,1156 16.281,1157 1.771,1158 5.826,1159 29.637,1160 3.139,1161 18.32,1162 22.632,1163 2.798,1164 37.135,1165 17.356,1166 14617,1167 22709,1168 23.345,1169 42.273,1170 51.958,1171 53.355,1172 53.575,1173 51.485,1174 51.498,1175 64.575,1176 10.115,1177 149.456,1178 48.54,1179 5.538,1180 5.735,1181 6.771,1182 5.314,1183 5.275,1184 7.504,1185 2.555,1186 18.772,1187 5.045,1188 15.116,1189 1.485,1190 1.524,1191 1.531,1192 1.471,1193 1.471,1194 1.845,1195 0.289,1196 4.27,1197 1.387,1198 4.103,1199 4.111,1200 4.341,1201 4.114,1202 7.426,1203 4.065,1204 3.956,1205 4.007,1206 3.864,1207 3.826,1208 4.97,1209 3.826,1210 3.871,1211 3.902,1212 3.788,1213 3.766,1214 4.861,1215 3.765,1216 3.632,1217 3.67,1218 3.621,1219 3.476,1220 4.528,1221 3.481,1222 3.455,1223 3.487,1224 3.421,1225 3.311,1226 4.496,1227 3.296,1228 3.294,1229 3.368,1230 3.131,1231 3.135,1232 4.416,1233 3.113,1234 3.249,1235 3.314,1236 3.076,1237 3.007,1238 4.261,1239 3.01,1240 3.236,1241 3.303,1242 3.051,1243 2.967,1244 3.894,1245 2.97,1246 0.131,1247 0.107,1248 0.199,1249 0.12,1250 0.094,1251 4.573,1252 0.129,1253 3.735,1254 0.036,1255 6.969,1256 0.336,1257 4.192,1258 0.087,1259 3.275,1260 4.504,1261 1.277,1262 11.77,1263 3.045,1264 1.909,1265 1.903,1266 2.036,1267 2.063,1268 1.401,1269 2.06,1270 1.879,1271 1.851,1272 1.988,1273 1.988,1274 1.356,1275 1.985,1276 1.806,1277 1.759,1278 1.983,1279 1.96,1280 1.14,1281 1.97,1282 1.778,1283 1.722,1284 1.949,1285 1.913,1286 1.048,1287 1.935,1288 1.433,1289 1.416,1290 1.632,1291 1.573,1292 0.921,1293 1.595,1294 1.309,1295 1.245,1296 1.584,1297 1.538,1298 0.717,1299 1.556,1300 1.221,1301 1.176,1302 1.572,1303 1.517,1304 0.613,1305 1.535,1306 1.184,1307 1.106,1308 1.495,1309 1.445,1310 0.581,1311 1.485,1312 4.263,1314 5.587,1315 2.398,1316 7.099,1317 4.844,1318 8.692,1319 7.018,1320 10.327,1322 5.558,1328 6.667,1330 16.756,1332 0.085,1335 0.956,1340 39.233,1341 93.789,1342 204.941,1343 291.961,1344 330.98,1345 339.735,1346 341.735,1347 61.47,1348 7.904,1349 44.76,1350 73,1351 24,1352 12.667,1353 4.17,1354 3.322,1355 52.148,1356 153,1357 161,1358 0.164,1359 242.552,1360 421.09,1361 583.588,1362 32668,1364 22.554,1365 0.705,1366 0.625,1367 22.907,1368 20.004,1369 15.509,1370 0.443,1371 0.349,1372 11.277,1373 14.414,1374 10.871,1375 9.042,1376 15.918,1377 12.205,1378 13.817,1379 0.282,1380 0.207,1381 14.459,1382 10.154,1383 11.883,1384 0.186,1385 0.123,1386 12.705,1387 7.895,1388 9.476,1389 0.118,1390 0.072,1391 10.377,1392 5.792,1393 7.463,1394 0.075,1395 0.042,1396 8.318,1397 4.181,1398 0.264,1399 101.635,1400 0.207,1401 30.395,1402 0.432,1403 168,1404 452.135,1405 207.469,1406 444.84,1407 607.32,1408 420,1409 197,1410 422.897,1411 236.396,1412 444.946,1413 649.18,1414 416,1415 6.41}
{0 CHEMBL189122,1 1.503,2 12.385,3 3.822,4 14.605,5 106.682,6 7.411,7 0.429,8 3.987,9 4.09,10 3.598,11 3.572,12 5.054,13 3.513,14 4.529,15 4.693,16 3.952,17 3.967,18 5.486,19 3.876,20 4.72,21 4.89,22 4.031,23 4.1,24 5.737,25 3.983,26 4.801,27 5,28 3.917,29 4.084,30 5.775,31 3.945,32 4.818,33 5.056,34 3.813,35 3.996,36 5.732,37 3.844,38 4.66,39 4.876,40 3.688,41 3.901,42 5.633,43 3.737,44 4.604,45 4.848,46 3.566,47 3.811,48 5.541,49 3.615,50 4.468,51 4.722,52 3.426,53 3.637,54 5.35,55 3.494,56 0.013,57 0.659,58 11.112,59 5.23,60 9.121,61 6.464,62 0.198,63 1.098,64 22.886,65 8.937,66 21.258,67 10.74,68 0.321,69 1.307,70 29.488,71 11.276,72 34.386,73 13.582,74 0.242,75 1.371,76 31.774,77 12.146,78 38.143,79 14.969,80 0.315,81 1.347,82 33.152,83 12.044,84 41.704,85 15.157,86 0.253,87 1.179,88 28.546,89 10.627,90 39.529,91 12.936,92 0.43,93 1.118,94 28.989,95 10.58,96 47.654,97 13.267,98 0.199,99 0.959,100 23.193,101 8.251,102 25.788,103 10.868,104 27,105 38,106 0.254,107 0.583,108 0.769,109 0.828,110 0.835,111 0.842,112 3.303,113 1.034,114 -4.02,115 -3.97,116 -3.76,121 42,123 3,126 2,127 1,129 1,136 1,137 1,144 4,145 2,146 3,147 2,158 1,176 7,180 3,187 9,189 3,191 1,192 6,200 7,203 2,206 5,214 5,216 1,219 6,227 8,229 1,239 9,243 2,244 2,246 1,251 6,256 2,264 5,266 2,269 3,279 1,281 1042,282 17.85,283 17.85,284 17.85,285 17.85,286 17.85,287 16.143,288 23.427,289 10.555,290 18.443,291 13.657,292 13.657,293 13.657,294 13.657,295 13.657,296 10.837,297 25.629,298 4.775,299 14.44,300 4.141,301 2.198,302 1.1,303 0.75,304 0.71,305 0.67,306 3.986,310 1,311 1,312 1,313 680,314 3.536,317 61.136,318 170.435,321 115.784,325 1.953,326 20.761,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 55.5,338 322,339 4.433,340 4.688,341 6.437,342 4.067,343 3.12,344 4.091,345 3.389,346 10.099,347 2.95,348 4.051,349 3.68,350 6.068,351 3.719,352 2.754,353 3.64,354 1.975,355 8.762,356 2.671,357 3.968,358 3.173,359 5.709,360 3.602,361 2.646,362 3.252,363 0.86,364 7.512,365 2.533,366 3.653,367 2.831,368 5.486,369 3.306,370 2.34,371 2.926,372 0.86,373 7.318,374 2.234,375 3.479,376 2.751,377 5.125,378 3.131,379 2.169,380 2.754,381 0.522,382 6.353,383 2.069,384 3.093,385 2.471,386 4.717,387 2.698,388 1.771,389 2.285,391 5.118,392 1.628,393 2.666,394 2.379,395 4.114,396 2.267,397 1.302,398 1.544,400 3.49,401 1.238,402 2.5,403 2.096,404 3.943,405 2.083,406 1.136,407 1.5,409 2.841,410 1.076,411 2.469,412 1.475,413 3.414,414 1.984,415 1.098,416 1.411,418 2.275,419 0.983,420 2.223,421 1.069,422 3.236,423 1.982,424 1,425 1.204,427 1.964,428 0.945,429 1.825,430 1.053,431 2.958,432 1.515,433 0.501,434 0.608,436 1.074,437 0.5,438 1.473,439 1,440 2.887,441 1.208,442 0.355,443 0.387,445 0.483,446 0.3,447 1.388,448 0.821,449 2.735,450 1.121,451 0.241,452 0.271,454 0.458,455 0.209,456 1.248,457 0.356,458 2.403,459 0.818,460 -0.171,461 -0.227,463 -0.308,464 -0.168,465 0.707,466 0.177,467 2.289,468 0.295,469 -0.66,470 -0.801,472 -1.413,473 -0.615,474 12.733,475 0.49,476 0.533,477 0.021,478 31,479 1.192,480 15,481 0.577,482 16,483 0.615,484 22.585,485 0.869,486 28.367,487 0.567,488 21.988,489 0.846,490 6.15,491 0.237,492 6.489,493 0.25,494 0.144,496 0.306,501 0.767,502 1.237,503 0.778,504 1.045,505 0.632,506 0.999,507 1.221,508 0.915,509 0.986,510 0.872,511 0.783,512 0.85,513 0.965,514 1.105,515 1.152,516 1.164,517 1.197,518 1.081,519 1.025,520 1.152,521 1.126,522 1.202,523 1.282,524 1.154,525 1.065,526 0.948,527 0.96,528 0.977,529 0.863,530 0.96,531 1.174,532 1.052,533 1.207,534 1.117,535 1.565,536 1.096,537 0.453,538 1.012,539 1.181,540 1.159,541 0.796,542 1.044,543 0.868,544 0.937,545 0.866,546 0.922,547 0.813,548 0.874,549 5.5,550 0.134,551 2.889,552 1.417,553 1.592,554 0.903,555 0.521,556 0.334,557 0.184,558 0.136,559 8393,560 21077,561 2.037,562 48,563 2,564 16,566 2,568 2,569 2,572 1.685,573 1.902,574 3.585,575 -0.798,577 1,582 75.16,583 1.503,584 3.446,585 4.543,586 4.894,587 4.934,588 4.974,589 3.094,590 3.902,591 4.668,592 3.738,593 1214.9,594 8.061,595 15727.3,597 1,599 1,600 282.193,601 1.42,602 4.628,603 0.196,604 0.007,605 0.076,606 0.036,607 0.047,608 0.03,609 0.02,610 0.015,611 0.008,612 0.007,613 0.443,614 0.33,615 1,616 1.137,617 129.715,618 0.008,619 -0.133,620 0.079,621 -0.032,622 -0.016,623 -0.007,624 -0.143,625 0.167,626 0.053,627 0.172,628 -0.069,629 0.124,630 0.044,631 -0.053,632 -0.064,633 -0.083,634 -0.066,635 -0.089,636 -0.057,637 -0.156,638 -0.109,639 -0.175,640 -0.102,641 -0.164,642 -0.043,643 0.005,644 0.038,645 0.004,646 0.034,647 0.022,648 -0.128,649 -0.062,650 -0.121,651 -0.069,652 -0.117,653 -0.108,654 0.339,655 -0.031,656 -0.019,657 -0.059,658 0.239,659 -0.022,660 0.01,661 0.012,662 0.09,663 0.034,664 0.065,665 0.114,666 1.369,667 5.664,668 0.577,669 26.71,670 0.996,671 1.116,672 2.794,673 7.805,674 0.675,675 3.367,676 3.664,677 3.932,678 4.159,679 4.382,680 4.454,681 4.533,682 4.625,683 4.543,684 4.454,685 7.069,686 0.628,687 370.53,688 3.367,689 4.89,690 5.733,691 6.6,692 7.465,693 8.338,694 9.211,695 10.089,696 10.967,697 11.848,698 2,708 1,715 6,720 5,721 1,722 12,739 2,741 50,743 14,744 1,745 28,747 52,748 21,749 11,750 4,751 2,756 3,757 4,767 2,770 4,772 14,773 7,777 2,778 1,782 1,784 1,786 1,790 1,793 24,794 3,796 5,797 1,802 1,803 1,808 0.667,809 3,822 1,828 1,829 2,832 1,841 1,848 1,849 1,859 2,860 1,862 1,864 2,868 26,876 4,878 2,879 1,880 1,893 6,896 1,898 2,901 13.667,902 9.583,903 6,904 2.903,907 2.265,908 1.314,909 0.95,910 6.385,911 9.478,912 3.611,913 4.143,914 4.659,915 5.152,916 5.679,917 5.813,918 5.992,919 6.204,920 6.185,921 6.134,922 1,923 39,924 9.624,926 3.975,927 0.026,929 7.66,931 18.614,933 15.08,936 2.16,937 56.167,939 1,940 1,941 282.506,942 168.48,943 1.899,945 47.145,947 32.22,948 136.261,949 329.651,950 1.899,951 21.766,952 25.476,953 47.381,954 55.72,955 58.503,957 291.184,959 282.506,960 138.16,961 47.145,962 32.22,964 258.964,965 70.687,968 27.804,969 98.98,970 11.375,971 32.22,972 282.506,973 49.044,974 168.48,977 282.506,978 65.471,979 89.141,981 62.912,982 282.506,983 49.044,984 168.48,986 0.566,987 0.342,988 0.183,989 0.101,990 17,991 8,992 0.154,993 8,994 1,995 1.133,996 3.851,997 207.26,998 0.133,999 15,1000 118.211,1001 1,1005 18.995,1006 8.739,1007 4.506,1009 47.145,1010 12.165,1015 4.894,1016 2.058,1018 500.03,1019 36,1020 3.737,1024 12.664,1026 1.863,1028 0.298,1031 49.822,1032 55.821,1034 0.266,1035 0.611,1036 0.805,1037 0.867,1038 0.874,1039 0.881,1040 4.836,1041 1.136,1042 5.707,1043 3.49,1044 4.344,1045 4.828,1046 3.508,1047 6.497,1048 4.243,1049 6.017,1050 1.098,1051 7.255,1052 2.841,1053 3.892,1054 4.605,1055 2.036,1056 7.345,1057 3.751,1058 7.31,1059 1,1060 8.898,1061 2.275,1062 5.922,1063 6.948,1064 5.625,1065 10.402,1066 5.734,1067 8.638,1068 0.501,1069 10.595,1070 1.964,1071 6.293,1072 7.519,1073 4.168,1074 12.045,1075 6.05,1076 9.996,1077 0.355,1078 12.326,1079 1.074,1080 7.768,1081 9.349,1082 7.986,1083 14.606,1084 7.491,1085 11.374,1086 0.241,1087 14.08,1088 0.483,1089 8.517,1090 10.284,1091 6.596,1092 16.59,1093 8.174,1094 12.768,1095 -0.171,1096 15.849,1097 0.458,1098 9.768,1099 11.899,1100 10.393,1101 18.978,1102 9.393,1103 3.12,1104 -0.66,1105 17.63,1106 -0.308,1107 10.701,1108 13.028,1109 9.16,1110 21.123,1111 10.257,1112 2.754,1113 10.099,1114 19.421,1115 -1.413,1116 11.861,1117 14.538,1118 12.812,1119 23.447,1120 11.379,1121 2.646,1122 8.762,1123 21.219,1124 4.091,1125 12.885,1126 15.777,1127 11.751,1128 25.669,1129 12.335,1130 2.34,1131 7.512,1132 23.024,1133 3.64,1134 14.011,1135 17.233,1136 15.235,1137 27.973,1138 13.416,1139 2.169,1140 7.318,1141 24.834,1142 3.252,1143 15.081,1144 18.538,1145 14.332,1146 30.234,1147 14.422,1148 1.771,1149 6.353,1150 26.649,1151 2.926,1152 16.197,1153 19.965,1154 17.659,1155 32.533,1156 15.487,1157 1.302,1158 5.118,1159 28.468,1160 2.754,1161 17.292,1162 21.309,1163 16.895,1164 34.814,1165 16.519,1166 8262,1167 13220,1168 18.493,1169 33.773,1170 41.011,1171 44.543,1172 43.085,1173 40.756,1174 40.864,1175 51.743,1176 15.211,1177 115.492,1178 38.668,1179 5.37,1180 6.688,1181 6.207,1182 5.184,1183 5.12,1184 7.091,1185 6.716,1186 16.854,1187 4.95,1188 13.55,1189 1.465,1190 1.591,1191 1.539,1192 1.456,1193 1.459,1194 1.848,1195 0.543,1196 4.125,1197 1.381,1198 4.021,1199 4.051,1200 4.137,1201 3.978,1202 7.426,1203 3.951,1204 3.953,1205 3.98,1206 3.905,1207 3.851,1208 4.923,1209 3.854,1210 3.657,1211 3.691,1212 3.626,1213 3.516,1214 4.824,1215 3.518,1216 3.501,1217 3.546,1218 3.419,1219 3.391,1220 4.633,1221 3.376,1222 3.337,1223 3.391,1224 3.264,1225 3.17,1226 4.495,1227 3.158,1228 3.247,1229 3.313,1230 3.067,1231 2.958,1232 4.334,1233 2.962,1234 3.096,1235 3.175,1236 2.928,1237 2.876,1238 3.919,1239 2.873,1240 2.913,1241 2.985,1242 2.862,1243 2.75,1244 3.677,1245 2.719,1246 0.158,1247 0.167,1248 0.23,1249 0.145,1250 0.111,1251 4.433,1252 0.146,1253 4.688,1254 0.121,1255 6.437,1256 0.361,1257 4.067,1258 0.105,1259 3.12,1260 4.091,1261 3.389,1262 10.099,1263 2.95,1264 1.937,1265 1.896,1266 2.067,1267 2.083,1268 1.277,1269 2.081,1270 1.868,1271 1.859,1272 1.951,1273 1.965,1274 1.173,1275 1.96,1276 1.657,1277 1.623,1278 1.838,1279 1.817,1280 1.046,1281 1.83,1282 1.513,1283 1.466,1284 1.707,1285 1.654,1286 0.911,1287 1.683,1288 1.284,1289 1.222,1290 1.585,1291 1.528,1292 0.684,1293 1.547,1294 1.193,1295 1.131,1296 1.573,1297 1.512,1298 0.576,1299 1.533,1300 1.172,1301 1.098,1302 1.473,1303 1.393,1304 0.573,1305 1.442,1306 0.894,1307 0.824,1308 1.21,1309 1.136,1310 0.263,1311 1.161,1312 4.043,1314 5.342,1315 2.398,1316 6.838,1317 4.727,1318 8.424,1319 6.843,1320 10.057,1322 3.263,1328 2.885,1330 10.72,1331 1.637,1332 -0.017,1340 31.411,1341 75.16,1342 172.305,1343 227.173,1344 244.683,1345 246.683,1346 248.683,1347 47.953,1348 7.214,1349 39.41,1350 64.71,1351 17,1352 12.384,1353 3.907,1354 3.17,1355 44.692,1356 110,1357 126,1358 0.199,1359 197.988,1360 349.06,1361 474.85,1362 13010,1364 18.518,1365 0.712,1366 0.619,1367 18.872,1368 16.104,1369 12.639,1370 0.451,1371 0.345,1372 8.721,1373 11.706,1374 8.363,1375 6.963,1376 13.047,1377 9.652,1378 10.79,1379 0.284,1380 0.201,1381 11.432,1382 7.646,1383 9.302,1384 0.186,1385 0.12,1386 10.14,1387 6.011,1388 7.415,1389 0.118,1390 0.071,1391 8.287,1392 4.471,1393 6.016,1394 0.076,1395 0.04,1396 6.827,1397 3.145,1398 0.32,1399 83.336,1400 0.233,1401 25.574,1402 0.522,1403 132,1404 370.4,1405 167.565,1406 371.384,1407 502.07,1408 350,1409 154,1410 341.381,1411 188.52,1412 362.149,1413 525.96,1414 338,1415 6.66}
{0 CHEMBL189283,1 1.449,2 13.182,3 3.736,4 13.961,5 132.825,6 6.995,7 0.444,8 4.278,9 4.389,10 3.826,11 3.834,12 5.28,13 3.774,14 4.865,15 5.043,16 4.209,17 4.27,18 5.767,19 4.183,20 5.179,21 5.374,22 4.331,23 4.496,24 6.083,25 4.366,26 5.402,27 5.657,28 4.319,29 4.56,30 6.212,31 4.405,32 5.405,33 5.656,34 4.265,35 4.53,36 6.281,37 4.37,38 5.331,39 5.582,40 4.151,41 4.506,42 6.196,43 4.31,44 5.253,45 5.521,46 4.091,47 4.377,48 6.197,49 4.187,50 5.015,51 5.235,52 4.025,53 4.223,54 5.996,55 4.074,56 0.048,57 0.9,58 16.022,59 7.144,60 12.502,61 9.114,62 0.28,63 1.538,64 31.364,65 12.043,66 24.249,67 15.508,68 0.48,69 2.037,70 44.557,71 17.173,72 47.358,73 22.309,74 0.436,75 2.419,76 56.712,77 20.702,78 54.072,79 27.781,80 0.629,81 2.351,82 56.893,83 20.207,84 79.569,85 26.69,86 0.486,87 2.249,88 55.976,89 20.757,90 69.686,91 26.771,92 0.658,93 2.045,94 52.549,95 18.818,96 94.862,97 24.883,98 0.405,99 1.624,100 38.999,101 14.26,102 64.546,103 18.219,104 30,105 51,106 0.23,107 0.544,108 0.762,109 0.846,110 0.857,111 0.862,112 3.532,113 1.051,114 -0.81,115 -0.92,116 -1.03,121 40.3,123 4,124 1,126 3,127 3,129 1,144 8,145 2,146 2,154 2,159 1,176 12,180 3,185 1,187 15,189 2,191 1,192 6,197 1,199 1,200 10,203 4,206 6,211 1,214 4,216 4,219 5,224 3,227 11,229 1,234 1,237 2,239 14,243 2,244 2,247 1,249 2,251 14,253 2,256 3,261 3,264 8,266 1,269 6,274 1,277 4,279 2,281 1908,282 22.204,283 22.204,284 22.204,285 22.204,286 22.204,287 20.251,288 21.898,289 12.946,290 22.851,291 17.663,292 17.663,293 17.663,294 17.663,295 17.663,296 14.555,297 24.738,298 6.03,299 18.577,300 4.617,301 2.64,302 1.262,303 0.732,304 0.661,305 0.631,306 4.225,312 1,313 935,314 3.742,317 76.342,318 213.263,320 141.569,321 145.928,325 1.967,326 30.781,329 1,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.98,337 70.5,338 435,339 4.565,340 3.691,341 7.017,342 4.228,343 3.312,344 4.502,345 1.277,346 12.021,347 3.038,348 4.333,349 3.621,350 6.439,351 4.069,352 3.122,353 3.576,354 1.26,355 10.107,356 2.954,357 4.089,358 3.241,359 6.08,360 3.744,361 2.772,362 3.533,363 0.86,364 8.816,365 2.705,366 3.812,367 2.72,368 5.742,369 3.476,370 2.505,371 3.17,372 0.86,373 7.697,374 2.434,375 3.735,376 2.639,377 5.339,378 3.393,379 2.41,380 3.062,381 0.245,382 6.876,383 2.343,384 3.368,385 2.472,386 5.262,387 3.195,388 2.223,389 2.471,391 6.618,392 2.15,393 3.178,394 2.324,395 4.954,396 3.071,397 2.106,398 2.412,400 5.778,401 2.016,402 3.153,403 2.215,404 4.717,405 2.698,406 1.771,407 2.169,409 5.118,410 1.628,411 2.869,412 1.651,413 4.025,414 2.437,415 1.44,416 2.016,418 3.159,419 1.436,420 2.616,421 1.534,422 3.943,423 2.121,424 1.143,425 1.564,427 3.071,428 1.093,429 2.5,430 1.427,431 3.722,432 2,433 1.136,434 1.5,436 2.841,437 1,438 2.399,439 1.003,440 3.47,441 1.979,442 1,443 1.376,445 2.136,446 0.94,447 1.752,448 1,449 3.334,450 1.714,451 0.736,452 0.744,454 1.72,455 0.717,456 1.554,457 0.858,458 3.247,459 1.391,460 0.405,461 0.428,463 0.976,464 0.391,465 1.494,466 0.784,467 2.936,468 1.208,469 0.349,470 0.379,472 0.485,473 0.3,474 16.067,475 0.487,476 0.872,477 0.026,478 37,479 1.121,480 16.5,481 0.5,482 20.5,483 0.621,484 36.573,485 1.108,486 37.033,487 0.553,488 28.312,489 0.858,490 7.014,491 0.213,492 8.873,493 0.269,494 0.135,495 0.025,496 0.28,501 0.838,502 1.279,503 0.835,504 1.08,505 0.732,506 1.037,507 1.169,508 0.896,509 0.911,510 0.824,511 0.727,512 0.861,513 0.855,514 1.165,515 1.052,516 1.136,517 0.972,518 1.138,519 0.795,520 1.031,521 0.896,522 1.004,523 0.834,524 0.974,525 1.193,526 0.925,527 0.954,528 0.905,529 1.318,530 0.965,531 0.834,532 1.053,533 1.186,534 1.149,535 1.273,536 1.088,537 0.509,538 1.004,539 1.022,540 1.09,541 0.758,542 0.966,543 1.251,544 1.042,545 1.06,546 1.033,547 1.723,548 1.058,549 8.5,550 0.132,551 3.556,552 2.729,553 2.401,554 1.049,555 0.945,556 0.506,557 0.3,558 0.363,559 15781,560 36869,561 2.054,562 50.7,563 3,564 24,567 1,568 2,569 4,572 1.752,573 1.913,574 3.682,575 -0.412,582 97.072,583 1.449,584 3.427,585 4.804,586 5.334,587 5.405,588 5.435,589 3.112,590 4.499,591 5.017,592 3.851,593 2033.46,594 8.78,595 30687.8,600 406.428,601 1.554,602 4.964,603 0.236,604 0.004,605 0.07,606 0.051,607 0.045,608 0.022,609 0.022,610 0.012,611 0.008,612 0.011,613 0.482,614 0.33,615 0.88,616 0.81,617 176.12,618 -0.015,619 -0.108,620 0.073,621 -0.005,622 -0.039,623 0.014,624 -0.135,625 0.226,626 0.068,627 0.192,628 -0.007,629 0.134,630 0.051,631 -0.104,632 -0.067,633 -0.103,634 -0.029,635 -0.128,636 0.019,637 -0.044,638 0.056,639 -0.037,640 0.028,641 0.014,642 -0.104,643 0.039,644 -0.005,645 0.033,646 -0.091,647 -0.001,648 -0.018,649 -0.066,650 -0.096,651 -0.085,652 -0.088,653 -0.076,654 0.264,655 -0.042,656 0.063,657 -0.04,658 0.263,659 0.042,660 -0.116,661 -0.049,662 -0.045,663 -0.026,664 -0.142,665 -0.074,666 1.666,667 6.204,668 0.697,669 35.014,670 0.994,671 1.121,672 -0.42,673 0.176,674 0.657,675 3.611,676 3.951,677 4.19,678 4.454,679 4.663,680 4.754,681 4.92,682 5.011,683 4.956,684 5.011,685 7.703,686 0.608,687 468.69,688 3.611,689 5.165,690 6.009,691 6.897,692 7.758,693 8.649,694 9.519,695 10.412,696 11.286,697 12.179,698 1.5,712 1,714 2,715 8,719 1,720 4,722 16,727 1,739 2,741 67,743 17,744 2,745 36,747 70,748 27,749 14,750 5,751 7,752 1,756 4,757 5,767 4,768 1,770 5,772 15,773 12,774 1,777 1,782 1,786 1,793 34,794 4,795 1,796 6,797 1,802 1,803 1,807 1,808 0.75,809 4,811 1,828 1,829 2,831 1,832 1,857 1,859 3,862 1,864 3,868 33,875 1,876 7,878 2,880 2,883 1,888 1,893 6,894 1,896 1,898 2,901 17.25,902 12.7,903 7.292,904 4.115,907 2.729,908 1.343,909 0.926,910 7.726,911 10.676,912 3.829,913 4.404,914 4.943,915 5.514,916 6.037,917 6.341,918 6.701,919 7.056,920 6.977,921 6.943,922 0.889,923 54,924 12.314,926 5.236,927 0.026,929 7.626,931 24.058,933 20.267,936 2.126,937 70.167,941 388.446,942 177.188,945 89.828,947 31.278,948 145.911,949 478.274,951 30.162,952 16.455,953 118.493,954 30.278,955 38.245,956 2.104,957 419.724,959 388.446,960 145.911,961 89.828,962 31.278,964 341.362,965 94.229,966 42.683,968 16.455,969 129.456,971 31.278,972 388.446,973 89.828,974 177.188,977 388.446,978 71.216,979 105.972,981 89.828,982 388.446,983 89.828,984 177.188,986 0.582,987 0.339,988 0.184,989 0.101,990 24,991 11,992 0.1,993 7,994 1,995 1.087,996 4.327,997 304.026,998 0.087,999 23,1000 162.465,1001 1,1005 24.185,1006 10.542,1007 5.948,1008 2.025,1009 89.828,1010 16.321,1014 1.516,1015 3.419,1017 42.683,1018 655.463,1019 45,1024 13.204,1028 0.187,1031 66.567,1032 75.107,1034 0.239,1035 0.565,1036 0.792,1037 0.879,1038 0.891,1039 0.896,1040 5.088,1041 1.771,1042 6.023,1043 5.778,1044 4.635,1045 5.091,1046 2.271,1047 6.858,1048 4.54,1049 6.293,1050 1.44,1051 7.6,1052 5.118,1053 4.369,1054 4.966,1055 0.931,1056 7.974,1057 4.197,1058 7.611,1059 1.143,1060 9.281,1061 3.159,1062 6.297,1063 7.268,1064 2.428,1065 10.982,1066 6.102,1067 8.961,1068 1.136,1069 11.023,1070 3.071,1071 6.825,1072 7.952,1073 1.381,1074 12.915,1075 6.526,1076 10.341,1077 1,1078 12.807,1079 2.841,1080 8.257,1081 9.774,1082 2.737,1083 15.507,1084 7.934,1085 11.743,1086 0.736,1087 14.619,1088 2.136,1089 9.134,1090 10.849,1091 1.783,1092 17.763,1093 8.699,1094 13.162,1095 0.405,1096 16.452,1097 1.72,1098 10.387,1099 12.478,1100 3.126,1101 20.246,1102 9.913,1103 3.312,1104 0.349,1105 18.302,1106 0.976,1107 11.424,1108 13.758,1109 2.192,1110 22.629,1111 10.843,1112 3.122,1113 12.021,1114 20.165,1115 0.485,1116 12.615,1117 15.305,1118 3.559,1119 25.09,1120 11.978,1121 2.772,1122 10.107,1123 22.04,1124 4.502,1125 13.725,1126 16.693,1127 2.615,1128 27.525,1129 12.988,1130 2.505,1131 8.816,1132 23.923,1133 3.576,1134 14.897,1135 18.208,1136 4.015,1137 29.987,1138 14.091,1139 2.41,1140 7.697,1141 25.814,1142 3.533,1143 16.041,1144 19.652,1145 3.05,1146 32.444,1147 15.141,1148 2.223,1149 6.876,1150 27.712,1151 3.17,1152 17.211,1153 21.154,1154 4.483,1155 34.913,1156 16.234,1157 2.106,1158 6.618,1159 29.616,1160 3.062,1161 18.372,1162 22.627,1163 3.495,1164 37.381,1165 17.304,1166 15069,1167 23233,1168 23.75,1169 44.034,1170 53.788,1171 54.812,1172 55.558,1173 53.291,1174 53.342,1175 66.424,1176 9.005,1177 155.748,1178 50.708,1179 5.565,1180 5.691,1181 6.819,1182 5.346,1183 5.312,1184 7.502,1185 2.555,1186 18.789,1187 5.038,1188 17.156,1189 1.494,1190 1.523,1191 1.543,1192 1.48,1193 1.482,1194 1.845,1195 0.25,1196 4.326,1197 1.409,1198 4.101,1199 4.111,1200 4.34,1201 4.112,1202 7.427,1203 4.063,1204 3.994,1205 4.037,1206 3.91,1207 3.887,1208 6.449,1209 3.883,1210 3.84,1211 3.879,1212 3.74,1213 3.742,1214 4.969,1215 3.735,1216 3.648,1217 3.694,1218 3.624,1219 3.493,1220 4.755,1221 3.498,1222 3.507,1223 3.553,1224 3.456,1225 3.351,1226 4.528,1227 3.342,1228 3.436,1229 3.476,1230 3.308,1231 3.279,1232 4.496,1233 3.267,1234 3.249,1235 3.315,1236 3.089,1237 2.978,1238 4.312,1239 2.985,1240 3.198,1241 3.252,1242 3.061,1243 2.967,1244 4.017,1245 2.969,1246 0.127,1247 0.103,1248 0.195,1249 0.117,1250 0.092,1251 4.565,1252 0.125,1253 3.691,1254 0.035,1255 7.017,1256 0.334,1257 4.228,1258 0.084,1259 3.312,1260 4.502,1261 1.277,1262 12.021,1263 3.038,1264 1.959,1265 1.916,1266 2.125,1267 2.124,1268 1.511,1269 2.128,1270 1.908,1271 1.903,1272 2.019,1273 1.988,1274 1.257,1275 1.987,1276 1.854,1277 1.815,1278 1.962,1279 1.96,1280 1.14,1281 1.979,1282 1.642,1283 1.611,1284 1.825,1285 1.814,1286 1.08,1287 1.826,1288 1.487,1289 1.429,1290 1.731,1291 1.684,1292 1.021,1293 1.702,1294 1.404,1295 1.36,1296 1.591,1297 1.562,1298 0.786,1299 1.58,1300 1.224,1301 1.177,1302 1.573,1303 1.519,1304 0.597,1305 1.536,1306 1.188,1307 1.111,1308 1.511,1309 1.477,1310 0.581,1311 1.51,1312 4.29,1314 5.624,1315 2.398,1316 7.135,1317 4.727,1318 8.728,1319 6.843,1320 10.367,1322 5.471,1327 10.669,1328 5.79,1330 10.807,1332 -0.046,1335 0.804,1340 40.76,1341 97.072,1342 229.577,1343 321.899,1344 357.408,1345 362.163,1346 364.163,1347 73.089,1348 7.947,1349 55.76,1350 84,1351 25,1352 12.71,1353 4.17,1354 3.322,1355 54.476,1356 154,1357 144,1358 0.171,1359 252.145,1360 438.39,1361 606.993,1362 33973,1364 23.424,1365 0.71,1366 0.625,1367 23.778,1368 20.62,1369 15.886,1370 0.441,1371 0.35,1372 11.702,1373 14.859,1374 11.26,1375 9.369,1376 16.295,1377 12.614,1378 14.583,1379 0.286,1380 0.213,1381 15.225,1382 10.88,1383 11.885,1384 0.183,1385 0.126,1386 12.723,1387 8.177,1388 9.954,1389 0.117,1390 0.073,1391 10.815,1392 6.24,1393 7.972,1394 0.076,1395 0.044,1396 8.811,1397 4.672,1398 0.273,1399 103.566,1400 0.205,1401 30.826,1402 0.458,1403 174,1404 446.55,1405 212.03,1406 445.14,1407 602.08,1408 418,1409 203,1410 412.715,1411 240.736,1412 438.754,1413 637.4,1414 409,1415 6.42}
{0 CHEMBL189517,1 1.481,2 12.519,3 4.025,4 16.201,5 109.461,6 7.256,7 0.4,8 4.056,9 4.161,10 3.656,11 3.647,12 5.045,13 3.585,14 4.616,15 4.788,16 3.983,17 4.037,18 5.51,19 3.934,20 4.807,21 4.996,22 4.058,23 4.149,24 5.757,25 4.024,26 4.863,27 5.071,28 3.961,29 4.134,30 5.788,31 3.996,32 4.878,33 5.114,34 3.867,35 4.072,36 5.75,37 3.918,38 4.752,39 4.978,40 3.725,41 3.976,42 5.672,43 3.803,44 4.666,45 4.918,46 3.599,47 3.862,48 5.561,49 3.662,50 4.521,51 4.773,52 3.468,53 3.701,54 5.352,55 3.555,56 0.021,57 0.714,58 12.231,59 5.699,60 7.907,61 7.15,62 0.205,63 1.197,64 25.121,65 9.835,66 19.47,67 12.101,68 0.346,69 1.419,70 32.526,71 12.198,72 33.122,73 15.074,74 0.276,75 1.46,76 33.984,77 12.709,78 37.437,79 15.94,80 0.316,81 1.433,82 34.681,83 12.765,84 38.734,85 16.245,86 0.266,87 1.285,88 31.102,89 11.611,90 38.838,91 14.44,92 0.444,93 1.181,94 30.524,95 11.155,96 46.604,97 14.148,98 0.199,99 1.011,100 24.066,101 8.676,102 22.326,103 11.52,104 14,105 42,106 0.248,107 0.558,108 0.759,109 0.815,110 0.821,111 0.827,112 3.339,113 1.056,114 -4.32,115 -4.26,116 -4.02,121 41.5,123 5,124 1,126 2,127 1,129 1,144 4,145 2,146 3,147 2,158 1,176 9,180 3,187 9,189 3,191 1,192 6,200 7,203 3,206 5,214 5,216 1,219 6,227 10,229 1,239 10,243 2,244 2,246 1,251 7,256 2,264 6,266 2,269 3,279 1,281 1163,282 18.583,283 18.583,284 18.583,285 18.583,286 18.583,287 17.004,288 21.002,289 10.777,290 19.167,291 14.691,292 14.691,293 14.691,294 14.691,295 14.691,296 12.076,297 17.96,298 4.991,299 15.459,300 4.247,301 2.391,302 1.189,303 0.859,304 0.821,305 0.783,306 4.027,310 1,311 1,312 1,313 743,314 3.464,315 58.147,317 64.303,318 177.657,321 121.854,325 2.019,326 20.704,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 57.5,338 338,339 4.433,340 4.688,341 6.437,342 4.067,343 3.12,344 4.091,345 3.389,346 10.099,347 2.95,348 4.069,349 3.68,350 6.068,351 3.759,352 2.788,353 3.644,354 1.975,355 8.762,356 2.716,357 3.972,358 3.174,359 5.71,360 3.704,361 2.742,362 3.253,363 0.86,364 7.956,365 2.654,366 3.704,367 2.875,368 5.673,369 3.519,370 2.534,371 2.935,372 0.86,373 7.472,374 2.488,375 3.624,376 2.77,377 5.372,378 3.288,379 2.315,380 2.822,382 7.033,383 2.225,384 3.337,385 2.641,386 5.009,387 3.016,388 2.066,389 2.477,391 6.022,392 1.951,393 3.093,394 2.38,395 4.717,396 2.698,397 1.771,398 2.285,400 5.118,401 1.628,402 2.5,403 2.227,404 4.114,405 2.244,406 1.282,407 1.5,409 3.485,410 1.211,411 2.473,412 2.096,413 3.943,414 1.984,415 1.136,416 1.43,418 2.841,419 0.983,420 2.223,421 1.123,422 3.414,423 1.983,424 1,425 1.204,427 2.275,428 0.946,429 1.851,430 1.054,431 3.179,432 1.597,433 0.591,434 0.687,436 1.4,437 0.587,438 1.474,439 1,440 2.934,441 1.262,442 0.365,443 0.394,445 0.648,446 0.31,447 1.422,448 0.823,449 2.887,450 1.202,451 0.254,452 0.283,454 0.473,455 0.249,456 1.388,457 0.534,458 2.734,459 1.12,460 0.241,461 0.271,463 0.458,464 0.208,465 0.864,466 0.25,467 2.403,468 0.603,469 -0.399,470 -0.467,472 -0.908,473 -0.397,474 13.233,475 0.49,476 0.601,477 0.022,478 31,479 1.148,480 14,481 0.519,482 17,483 0.63,484 25.189,485 0.933,486 29.667,487 0.56,488 20.555,489 0.761,490 5.591,491 0.207,492 7.565,493 0.28,494 0.101,496 0.332,501 0.753,502 1.224,503 0.781,504 1.042,505 0.554,506 1,507 1.177,508 0.969,509 1.004,510 0.924,511 0.737,512 0.918,513 0.937,514 1.104,515 1.108,516 1.132,517 1.164,518 1.051,519 1.051,520 1.094,521 1.102,522 1.142,523 1.318,524 1.095,525 1.057,526 0.982,527 0.976,528 1.006,529 0.864,530 0.995,531 1.123,532 1.056,533 1.178,534 1.111,535 1.528,536 1.098,537 0.447,538 0.989,539 1.147,540 1.126,541 0.798,542 1.013,543 0.869,544 0.974,545 0.889,546 0.956,547 0.781,548 0.914,549 6,550 0.167,551 2.944,552 1.444,553 1.682,554 0.869,555 0.546,556 0.344,557 0.166,558 0.131,559 10386,560 22759,561 2.12,562 49.1,563 6,564 13,566 2,568 2,569 3,572 1.694,573 2,574 3.607,575 -0.806,577 1,582 78.506,583 1.481,584 3.337,585 4.539,586 4.869,587 4.907,588 4.945,589 3.087,590 4.088,591 4.723,592 3.792,593 1331.06,594 8.167,595 17869.3,597 1,599 1,600 303.58,601 1.352,602 4.694,603 0.2,604 0.008,605 0.075,606 0.036,607 0.047,608 0.027,609 0.02,610 0.014,611 0.007,612 0.007,613 0.442,614 0.17,615 1,616 0.806,617 136.8,618 0.013,619 -0.104,620 0.087,621 -0.011,622 0.034,623 0.014,624 -0.128,625 0.111,626 0.027,627 0.119,628 -0.028,629 0.068,630 0.062,631 -0.055,632 -0.023,633 -0.062,634 -0.029,635 -0.055,636 -0.06,637 -0.083,638 -0.08,639 -0.12,640 -0.098,641 -0.107,642 -0.044,643 -0.02,644 0.012,645 -0.023,646 0.033,647 -0.012,648 -0.11,649 -0.069,650 -0.109,651 -0.073,652 -0.087,653 -0.107,654 0.34,655 -0.01,656 0.004,657 -0.034,658 0.256,659 0.004,660 0.005,661 -0.017,662 0.06,663 0.003,664 0.089,665 0.071,666 1.344,667 5.728,668 0.667,669 28.395,670 0.994,671 1.118,672 3.09,673 9.549,674 0.67,675 3.434,676 3.761,677 3.989,678 4.22,679 4.454,680 4.522,681 4.615,682 4.736,683 4.644,684 4.543,685 7.355,686 0.621,687 384.56,688 3.434,689 4.977,690 5.832,691 6.708,692 7.579,693 8.458,694 9.335,695 10.216,696 11.096,697 11.979,698 1.9,708 1,715 6,720 5,721 1,722 12,739 2,741 53,743 13,744 1,745 30,747 56,748 22,749 11,750 4,751 2,756 4,757 5,767 4,768 1,770 6,772 12,773 10,774 1,777 1,782 1,786 1,790 1,793 26,794 3,796 5,797 1,802 1,803 1,808 0.75,809 3,822 1,826 1,828 1,829 2,832 1,841 1,859 3,860 1,862 1,864 2,868 27,876 6,878 2,879 1,880 2,893 5.7,896 1,898 2,901 13.5,902 10.083,903 6,904 3.319,907 2.205,908 1.297,909 0.968,910 5.743,911 9.64,912 3.638,913 4.19,914 4.677,915 5.163,916 5.699,917 5.839,918 6.025,919 6.27,920 6.272,921 6.163,922 1,923 40,924 10.052,926 4.283,927 0.026,929 7.556,931 19.828,933 16.882,936 2.056,937 55.5,939 1,940 1,941 306.049,942 148.306,943 1.899,945 47.145,947 32.22,948 116.087,949 353.193,950 1.899,951 21.766,952 14.778,953 37.905,954 55.72,955 58.503,957 314.726,959 306.049,960 117.986,961 47.145,962 32.22,964 270.735,965 82.458,968 32.873,969 83.213,970 1.899,971 32.22,972 306.049,973 49.044,974 148.306,977 306.049,978 70.54,979 79.665,981 47.145,982 306.049,983 49.044,984 148.306,986 0.58,987 0.33,988 0.172,989 0.096,990 21,991 9,992 0.143,993 8,994 1,995 1.111,996 4.087,997 223.864,998 0.111,999 18,1000 122.382,1001 1,1005 18.826,1006 8.237,1007 4.668,1009 47.145,1010 12.601,1015 4.997,1016 2.257,1018 503.399,1019 37,1024 12.728,1028 0.323,1031 52.705,1032 59.237,1034 0.259,1035 0.583,1036 0.792,1037 0.85,1038 0.857,1039 0.863,1040 4.89,1041 1.282,1042 5.814,1043 5.118,1044 4.443,1045 4.875,1046 3.491,1047 6.611,1048 4.352,1049 6.083,1050 1.136,1051 7.368,1052 3.485,1053 4.111,1054 4.718,1055 2.036,1056 7.506,1057 4,1058 7.387,1059 1,1060 9.015,1061 2.841,1062 6.052,1063 6.988,1064 5.624,1065 10.515,1066 5.889,1067 8.719,1068 0.591,1069 10.713,1070 2.275,1071 6.479,1072 7.577,1073 4.168,1074 12.16,1075 6.279,1076 10.078,1077 0.365,1078 12.442,1079 1.4,1080 7.912,1081 9.376,1082 7.986,1083 14.702,1084 7.674,1085 11.455,1086 0.254,1087 14.192,1088 0.648,1089 8.679,1090 10.313,1091 6.596,1092 16.675,1093 8.39,1094 12.845,1095 0.241,1096 15.956,1097 0.473,1098 9.912,1099 11.916,1100 10.393,1101 19.051,1102 9.586,1103 3.12,1104 -0.399,1105 17.732,1106 0.458,1107 10.846,1108 13.044,1109 9.16,1110 21.184,1111 10.462,1112 2.788,1113 10.099,1114 19.517,1115 -0.908,1116 11.995,1117 14.548,1118 12.812,1119 23.499,1120 11.571,1121 2.742,1122 8.762,1123 21.309,1124 4.091,1125 13.014,1126 15.786,1127 11.751,1128 25.713,1129 12.529,1130 2.534,1131 7.956,1132 23.108,1133 3.644,1134 14.132,1135 17.24,1136 15.235,1137 28.009,1138 13.6,1139 2.315,1140 7.472,1141 24.912,1142 3.253,1143 15.195,1144 18.544,1145 14.332,1146 30.264,1147 14.602,1148 2.066,1149 7.033,1150 26.721,1151 2.935,1152 16.303,1153 19.97,1154 17.659,1155 32.557,1156 15.659,1157 1.771,1158 6.022,1159 28.534,1160 2.822,1161 17.39,1162 21.313,1163 16.895,1164 34.834,1165 16.684,1166 9713,1167 14545,1168 20.285,1169 35.534,1170 44.59,1171 48.257,1172 46.113,1173 44.289,1174 44.407,1175 54.55,1176 14.168,1177 128.085,1178 42.21,1179 5.375,1180 6.688,1181 5.978,1182 5.184,1183 5.12,1184 7.091,1185 6.716,1186 16.854,1187 4.95,1188 11.828,1189 1.486,1190 1.609,1191 1.537,1192 1.476,1193 1.48,1194 1.818,1195 0.472,1196 4.269,1197 1.407,1198 4.042,1199 4.085,1200 4.137,1201 3.981,1202 7.426,1203 3.957,1204 3.976,1205 3.993,1206 3.935,1207 3.89,1208 4.922,1209 3.886,1210 3.819,1211 3.866,1212 3.703,1213 3.73,1214 4.778,1215 3.717,1216 3.625,1217 3.652,1218 3.611,1219 3.486,1220 4.495,1221 3.488,1222 3.369,1223 3.421,1224 3.333,1225 3.201,1226 4.334,1227 3.189,1228 3.247,1229 3.313,1230 3.068,1231 2.958,1232 4.258,1233 2.962,1234 3.13,1235 3.201,1236 2.985,1237 2.906,1238 3.899,1239 2.912,1240 2.96,1241 3.042,1242 2.874,1243 2.769,1244 3.674,1245 2.752,1246 0.148,1247 0.156,1248 0.215,1249 0.136,1250 0.104,1251 4.433,1252 0.136,1253 4.688,1254 0.113,1255 6.437,1256 0.337,1257 4.067,1258 0.098,1259 3.12,1260 4.091,1261 3.389,1262 10.099,1263 2.95,1264 1.932,1265 1.892,1266 2.061,1267 2.077,1268 1.285,1269 2.075,1270 1.868,1271 1.858,1272 1.95,1273 1.965,1274 1.186,1275 1.96,1276 1.643,1277 1.613,1278 1.804,1279 1.806,1280 1.104,1281 1.815,1282 1.412,1283 1.357,1284 1.636,1285 1.579,1286 0.955,1287 1.607,1288 1.245,1289 1.185,1290 1.575,1291 1.522,1292 0.825,1293 1.538,1294 1.192,1295 1.124,1296 1.557,1297 1.484,1298 0.76,1299 1.513,1300 1.158,1301 1.087,1302 1.513,1303 1.376,1304 0.576,1305 1.429,1306 1.153,1307 1.064,1308 1.458,1309 1.359,1310 0.574,1311 1.412,1312 4.111,1313 1.946,1314 5.434,1315 3.932,1316 6.946,1317 5.82,1318 8.54,1319 7.673,1320 10.178,1322 3.282,1328 6.027,1330 10.754,1331 1.655,1332 0.876,1340 32.938,1341 78.506,1342 176.877,1343 240.56,1344 258.07,1345 260.07,1346 262.07,1347 45.132,1348 7.435,1349 39.41,1350 64.71,1351 20,1352 12.513,1353 3.807,1354 3,1355 40.559,1356 119,1357 118,1358 0.164,1359 203.114,1360 356.64,1361 487.359,1362 17741,1364 18.803,1365 0.696,1366 0.623,1367 19.156,1368 16.811,1369 13.157,1370 0.439,1371 0.352,1372 9.629,1373 12.227,1374 9.276,1375 7.663,1376 13.565,1377 10.56,1378 11.68,1379 0.278,1380 0.21,1381 12.322,1382 8.8,1383 9.68,1384 0.183,1385 0.124,1386 10.518,1387 6.564,1388 7.661,1389 0.114,1390 0.072,1391 8.533,1392 4.841,1393 6.364,1394 0.075,1395 0.041,1396 7.175,1397 3.477,1398 0.265,1399 86.442,1400 0.222,1401 26.567,1402 0.426,1403 144,1404 374.4,1405 179.565,1406 374.388,1407 510.68,1408 354,1409 170,1410 351.381,1411 204.687,1412 371.726,1413 542.93,1414 348,1415 6.96}
{0 CHEMBL189727,1 1.406,2 3.5,3 0.454,4 0.206,5 28.992,6 7.009,8 2.844,9 2.949,10 2.336,11 2.394,12 3.929,13 2.355,14 3.432,15 3.611,16 2.618,17 2.74,18 4.483,19 2.664,20 3.733,21 3.97,22 2.564,23 2.677,24 5.103,25 2.578,26 3.342,27 3.595,28 1.666,29 2.015,30 4.592,31 1.887,32 2.256,33 2.54,34 0.39,35 0.821,36 3.497,37 0.708,56 0.015,57 0.203,58 3.328,59 1.713,60 7.437,61 2.15,62 0.049,63 0.328,64 6.613,65 2.803,66 18.58,67 3.764,68 0.275,69 0.357,70 10.145,71 3.031,72 71.236,73 4.331,74 0.23,75 0.199,76 7.275,77 1.647,78 53.497,79 2.372,80 0.108,81 0.049,82 2.494,83 0.395,84 23,85 0.601,104 5,105 10,106 0.337,107 0.48,108 0.6,109 0.6,110 0.6,111 0.6,112 2.265,113 1.075,114 -1.29,115 -1.38,116 -1.44,121 37.5,123 4,158 2,176 3,180 2,187 2,191 1,192 4,200 1,206 2,281 24,282 5.19,283 5.19,284 5.19,285 5.19,286 5.19,287 4.944,288 6.545,289 3.174,290 5.13,291 3.917,292 3.917,293 3.917,294 3.917,295 3.917,296 3.4,297 4.628,298 1.493,299 3.788,300 2.594,301 2,302 1.5,303 1.5,304 1.5,305 1.5,306 2.805,312 1,313 54,314 1,318 22.133,325 0.5,326 13.778,329 1,330 0.67,331 0.83,332 1,333 0.5,334 1,335 1,336 0.86,337 18,338 28,339 4.047,340 3.879,341 5.878,342 3.784,343 2.732,344 3.343,345 1.277,346 7.95,347 2.865,348 2.802,349 2.925,350 4,351 2.469,352 1.414,353 1.732,354 1.277,355 3.464,356 1.483,357 2.492,358 1.653,359 3.583,360 2.429,361 1.414,362 1.471,364 2.938,365 1.432,366 1.445,367 0.986,368 2,369 1.1,375 0.621,376 0.37,377 2,378 0.323,379 -0.732,380 -0.814,382 -1.645,383 -0.762,384 -0.16,385 -0.832,386 1.23,387 -0.337,388 -1.414,389 -1.732,391 -3.451,392 -1.483,393 -0.247,394 -1.003,395 1,396 -0.368,397 -1.414,398 -2,399 -1.277,400 -3.464,401 -1.536,402 -1,403 -1.818,404 0.309,405 -1,406 -2,407 -2,408 -1.277,409 -5.792,410 -2,474 3.667,475 0.458,476 0.195,477 0.024,478 7.5,479 0.938,480 3,481 0.375,482 4.5,483 0.563,484 4.888,485 0.611,486 9.533,487 0.596,488 3.586,489 0.448,490 1.294,491 0.162,492 2.51,493 0.314,494 0.182,496 0.273,501 0.473,502 1.25,503 0.782,504 1.245,505 0.467,506 1.115,507 0.505,508 1.333,509 0.834,510 1.328,511 0.516,512 1.19,513 0.845,514 1,515 0.906,516 0.999,517 0.857,518 0.973,519 1.725,520 0.769,521 1.346,522 0.775,523 1.712,524 0.935,525 2.331,527 1.405,528 0.015,529 2.281,530 0.404,549 1.5,551 1.111,552 0.375,553 0.222,559 214,560 724,561 1.861,562 50,563 4,568 4,572 1.305,573 1.714,574 2.031,575 -0.71,582 22.49,583 1.406,584 2,585 2.5,586 2.5,587 2.5,588 2.5,589 1,590 2,591 2.984,592 1.835,593 51.387,594 4.673,595 280.374,600 64,601 1.5,602 2.906,603 0.188,605 0.111,606 0.047,607 0.111,613 0.457,614 1,615 1,616 0.875,617 21.574,622 0.026,624 0.042,625 -0.254,626 -0.005,627 -0.241,628 0.031,629 -0.151,630 0.115,631 -0.12,632 0.048,633 -0.115,634 0.095,635 -0.06,636 -0.356,637 -0.015,638 -0.301,639 -0.03,640 -0.344,641 -0.133,642 -0.575,643 0.601,644 -0.239,645 0.573,646 -0.529,647 0.301,666 1.837,667 3.445,668 0.75,669 2,670 1.012,671 1.13,672 0.062,673 0.004,674 0.622,675 2.197,676 2.398,677 2.485,678 2.398,679 2.398,680 1.609,681 0.693,685 2.33,686 0.596,687 112.14,688 2.197,689 3.611,690 4.369,691 5.153,692 5.932,693 6.718,694 7.502,695 8.287,696 9.072,697 9.858,741 16,743 2,745 8,747 16,748 6,752 2,756 1,757 1,767 4,770 4,772 2,773 4,777 2,782 2,786 2,793 8,794 2,796 2,808 1,809 2,829 1,841 2,859 1,868 8,876 4,893 12.5,896 2,901 4.667,902 2.833,903 1.861,904 1.146,907 0.368,908 1.089,909 0.883,910 1.426,911 4.511,912 2.398,913 2.708,914 2.944,915 2.708,916 2.708,917 2.197,918 1.609,922 0.333,923 8,924 2.975,925 0.063,926 1.238,927 0.082,929 8.417,931 5.571,932 0.026,933 4.45,934 0.043,935 0.004,936 2.917,937 23.333,938 0.037,941 94.169,942 20.405,945 50.29,948 20.405,949 144.459,952 10.138,954 60.557,957 94.169,959 94.169,960 20.405,961 50.29,964 94.169,965 50.29,968 10.138,969 10.267,972 94.169,973 50.29,974 20.405,977 94.169,978 20.405,981 50.29,982 94.169,983 50.29,984 20.405,986 0.567,987 0.319,988 0.127,989 0.057,990 5,991 2,995 1,996 1.908,997 33.731,999 6,1000 16,1005 5.487,1006 2.079,1007 1.163,1009 50.29,1018 164.864,1019 10,1024 20.889,1028 -0.34,1031 16.189,1032 18.08,1034 0.351,1035 0.5,1036 0.625,1037 0.625,1038 0.625,1039 0.625,1040 3.555,1041 -2,1042 4.317,1043 -3.464,1044 3.045,1045 3.367,1046 2.019,1047 4.977,1048 3.118,1049 4.673,1051 5.808,1052 -5.792,1053 2.565,1054 3.219,1056 5.666,1057 2.734,1058 5.927,1060 7.409,1062 4.489,1063 5.198,1064 2.456,1065 8.636,1066 4.646,1067 7.216,1069 9.071,1071 4.796,1072 5.889,1074 10.125,1075 5.071,1076 8.543,1078 10.77,1080 6.24,1081 7.371,1082 2.912,1083 12.598,1084 6.495,1085 9.891,1087 12.494,1089 6.917,1090 8.395,1092 14.395,1093 7.28,1094 11.255,1096 14.233,1098 8.139,1099 9.698,1100 3.38,1101 16.666,1102 8.496,1103 2.732,1105 15.983,1107 8.983,1108 10.842,1110 18.599,1111 9.433,1112 1.414,1113 7.95,1114 17.74,1116 10.099,1117 12.083,1118 3.857,1119 20.774,1120 10.56,1121 1.414,1122 3.464,1123 19.502,1124 3.343,1125 11.023,1126 13.268,1128 22.774,1129 11.56,1131 2.938,1132 21.267,1133 1.732,1134 12.085,1135 14.487,1136 4.338,1137 24.901,1138 12.647,1139 -0.732,1141 23.034,1142 1.471,1143 13.048,1144 15.686,1146 26.935,1147 13.676,1148 -1.414,1149 -1.645,1150 24.803,1152 14.084,1153 16.898,1154 4.823,1155 29.037,1156 14.745,1157 -1.414,1158 -3.451,1159 26.572,1160 -0.814,1161 15.066,1162 18.102,1164 31.089,1165 15.786,1166 267,1167 524,1168 4.97,1169 9.955,1170 11.572,1171 12.726,1172 11.923,1173 11.164,1174 11.121,1175 13.091,1176 5.11,1177 28.704,1178 11.561,1179 5.047,1180 5.696,1181 5.569,1182 4.784,1183 4.732,1184 5.343,1185 2.555,1186 13.742,1187 4.865,1188 3.484,1189 1.447,1190 1.591,1191 1.49,1192 1.395,1193 1.39,1194 1.636,1195 0.639,1196 3.588,1197 1.445,1198 3.866,1199 3.898,1200 3.776,1201 3.727,1202 7.496,1203 3.73,1204 3.162,1205 3.2,1206 3.038,1207 2.938,1208 7.351,1209 2.955,1210 3.131,1211 3.186,1212 2.956,1213 2.933,1214 4.064,1215 2.927,1216 2.232,1217 2.264,1218 2.107,1219 1.756,1220 3.363,1221 1.826,1222 2.132,1223 2.253,1224 1.728,1225 1.756,1226 2.896,1227 1.729,1228 1.865,1229 1.998,1230 1.326,1231 1.396,1232 2.133,1233 1.382,1234 0.941,1235 1.207,1236 0.112,1237 0.38,1238 1.809,1239 0.262,1240 0.941,1241 1.207,1242 0.083,1243 0.38,1244 0.999,1245 0.262,1246 0.506,1247 0.485,1248 0.735,1249 0.473,1250 0.342,1251 4.047,1252 0.418,1253 3.879,1254 0.16,1255 5.878,1256 0.994,1257 3.784,1258 0.358,1259 2.732,1260 3.343,1261 1.277,1262 7.95,1263 2.865,1264 1.827,1265 1.791,1266 2.025,1267 1.992,1268 1.342,1269 2.001,1270 1.13,1271 1.058,1272 1.464,1273 1.365,1274 0.744,1275 1.399,1276 1.071,1277 1.044,1278 1.277,1279 1.339,1280 0.392,1281 1.315,1282 0.123,1284 0.681,1285 0.548,1287 0.582,1288 0.08,1290 0.591,1291 0.524,1293 0.56,1297 0.303,1299 0.206,1312 2.833,1314 4.043,1316 5.476,1318 7,1320 8.556,1328 2.785,1340 9.537,1341 22.49,1342 32,1343 40,1344 40,1345 40,1346 40,1347 13.368,1348 4.143,1349 34.14,1350 34.14,1351 6,1352 10.466,1353 1.585,1354 1.585,1355 11.915,1356 12,1357 6,1358 0.633,1359 63.069,1360 112.3,1361 145.648,1362 182,1364 5.983,1365 0.748,1366 0.581,1367 5.983,1368 4.645,1369 3.805,1370 0.476,1371 0.358,1372 2.838,1373 3.67,1374 2.79,1375 2.3,1376 3.805,1377 2.865,1378 3.239,1379 0.324,1380 0.205,1381 3.239,1382 2.053,1383 2.54,1384 0.231,1385 0.124,1386 2.54,1387 1.369,1388 1.502,1389 0.15,1390 0.085,1391 1.502,1392 0.85,1393 1.024,1394 0.102,1395 0.055,1396 1.024,1397 0.549,1398 0.848,1399 23.982,1400 0.449,1401 7.576,1402 2.091,1403 36,1404 143.471,1405 40.207,1406 131.669,1407 161.04,1408 120,1409 39,1410 99.273,1411 43.097,1412 97.688,1413 138.88,1414 92,1415 4}
{0 CHEMBL189764,1 1.682,2 13.216,3 4.692,4 22.019,5 144.784,6 8.088,7 0.6,8 4.256,9 4.359,10 4.005,11 3.824,12 5.396,13 3.795,14 4.762,15 4.919,16 4.301,17 4.177,18 6.073,19 4.142,20 4.951,21 5.107,22 4.375,23 4.33,24 6.158,25 4.275,26 5.068,27 5.263,28 4.335,29 4.344,30 6.309,31 4.263,32 5.063,33 5.283,34 4.294,35 4.311,36 6.177,37 4.22,38 4.972,39 5.187,40 4.341,41 4.249,42 6.131,43 4.172,44 4.886,45 5.041,46 4.405,47 4.27,48 6.148,49 4.216,50 5.002,51 5.151,52 4.375,53 4.329,54 6.45,55 4.269,56 0.115,57 0.965,58 14.367,59 5.922,60 18.042,61 6.904,62 0.553,63 1.495,64 24.602,65 9.531,66 64.358,67 11.544,68 0.425,69 1.787,70 31.044,71 11.414,72 59.196,73 13.54,74 0.61,75 1.915,76 36.137,77 13.231,78 83.59,79 16.59,80 0.45,81 1.876,82 36.652,83 13.382,84 71.578,85 17.377,86 0.579,87 1.781,88 35.791,89 12.236,90 64.947,91 15.271,92 0.428,93 1.679,94 32.96,95 11.419,96 61.231,97 12.406,98 0.845,99 1.78,100 36.861,101 13.287,102 134.14,103 14.759,104 60,105 57,106 0.265,107 0.567,108 0.69,109 0.779,110 0.804,111 0.809,112 3.642,113 0.963,114 -3.68,115 -3.65,116 -3.47,121 42.2,122 1,126 3,144 13,145 2,146 4,148 2,152 1,160 1,176 10,179 2,180 9,183 5,185 3,187 12,192 12,197 4,200 10,205 4,206 14,211 5,214 7,219 10,224 4,227 6,231 2,232 16,235 2,236 1,237 4,239 8,244 8,251 14,255 4,256 12,259 5,261 1,264 18,269 4,277 16,281 2990,282 24.375,283 24.375,284 24.375,285 24.375,286 24.375,287 21.188,288 23.707,289 14.11,290 24.971,291 19.676,292 19.676,293 19.676,294 19.676,295 19.676,296 14.691,297 28.01,298 6.631,299 20.574,300 4.318,301 2.394,302 1.611,303 1.047,304 0.891,305 0.86,306 4.332,312 1,313 1033,314 4.416,318 535.419,325 1.975,326 42.755,329 0.75,330 0.67,331 0.83,332 0.5,334 0.83,335 1,336 0.65,337 80.5,338 489,339 4.857,340 4.686,341 7.308,342 4.313,343 3.395,344 4.708,345 1.907,346 12.51,347 3.09,348 4.396,349 3.532,350 6.313,351 3.989,352 3.018,353 4.094,354 0.86,355 9.694,356 2.932,357 4.149,358 3.064,359 6.045,360 3.771,361 2.798,362 3.751,363 0.8,364 8.714,365 2.728,366 3.958,367 2.962,368 5.881,369 3.58,370 2.624,371 3.49,372 0.149,373 8.06,374 2.519,375 3.928,376 2.828,377 5.471,378 3.553,379 2.58,380 3.441,382 7.316,383 2.489,384 3.708,385 2.58,386 5.355,387 3.33,388 2.386,389 3.06,391 6.91,392 2.244,393 3.523,394 2.529,395 5.26,396 3.126,397 2.184,398 2.831,400 6.584,401 2.079,402 3.435,403 2.356,404 4.775,405 2.992,406 1.984,407 2.665,409 5.111,410 1.956,411 3.043,412 1.757,413 4.433,414 2.585,415 1.609,416 2.221,418 4.408,419 1.566,420 2.936,421 1.607,422 4.353,423 2.468,424 1.491,425 2.093,427 4.147,428 1.449,429 2.751,430 1.469,431 4.203,432 2.289,433 1.338,434 1.852,436 3.675,437 1.267,438 2.5,439 1.149,440 3.716,441 2,442 1.04,443 1.5,445 2.674,446 1,447 2.5,448 1,449 3.414,450 2,451 1,452 1.5,454 2.275,455 1,456 2.5,457 1,458 3.414,459 2,460 1,461 1.5,463 2.275,464 1,465 2.357,466 1,467 3.414,468 1.994,469 1,470 1.326,472 2.275,473 0.989,474 17.667,475 0.477,476 1.118,477 0.03,478 54.25,479 1.466,480 30.5,481 0.824,482 23.75,483 0.642,484 28.604,485 0.773,486 39.333,487 0.615,488 48.566,489 1.313,490 10.87,491 0.294,492 6.77,493 0.183,494 0.17,495 0.047,496 0.306,501 0.65,502 1.375,503 0.797,504 1.211,505 0.667,506 0.949,507 0.767,508 0.909,509 0.806,510 0.828,511 0.546,512 0.788,513 1.175,514 1.21,515 1.11,516 1.115,517 1.099,518 1.048,519 0.906,520 1.117,521 1.006,522 1.047,523 0.902,524 1.048,525 0.879,526 1.105,527 0.823,528 0.954,529 1.007,530 0.953,531 0.811,532 0.937,533 0.911,534 0.884,535 0.818,536 0.796,537 1.304,538 1.115,539 1.276,540 1.15,541 1.272,542 0.92,543 1.122,544 0.939,545 1.372,546 1.232,547 1.355,548 1.079,549 10,550 0.351,551 4.667,552 2.438,553 2.04,554 1.819,555 1.092,556 0.941,557 0.53,558 0.464,559 20076,560 58843,561 2.016,562 42.2,564 22,567 2,568 3,572 1.786,573 1.858,574 3.657,575 0.189,582 107.626,583 1.682,584 3.606,585 4.389,586 4.953,587 5.109,588 5.14,589 3.096,590 4.561,591 5.172,592 3.877,593 2581.95,594 9.141,595 42412.9,600 384,601 1.621,602 5.118,603 0.25,604 0.008,605 0.082,606 0.041,607 0.036,608 0.034,609 0.02,610 0.016,611 0.009,612 0.009,613 0.506,614 0.33,615 0.75,616 1.03,617 203.47,618 0.039,619 -0.202,620 0.178,621 -0.104,622 -0.148,623 -0.001,624 0.204,625 0.194,626 0.124,627 0.155,628 0.242,629 0.139,630 -0.19,631 -0.122,632 -0.127,633 -0.092,634 -0.125,635 -0.11,636 0.025,637 -0.089,638 -0.046,639 -0.068,640 0.054,641 -0.083,642 -0.035,643 -0.128,644 0.12,645 0.015,646 -0.063,647 0.046,648 0.097,649 0.119,650 0.189,651 0.153,652 0.064,653 0.185,654 -0.195,655 0.016,656 -0.047,657 0.005,658 -0.093,659 0.026,660 0.126,661 0.123,662 -0.227,663 -0.122,664 0.163,665 -0.132,666 4.916,667 6.133,668 0.649,669 47.461,670 1.01,671 1.122,672 2.45,673 6,674 0.685,675 3.714,676 4.06,677 4.277,678 4.5,679 4.745,680 4.898,681 5.069,682 5.176,683 5.283,684 5.442,685 7.982,686 0.655,687 517.66,688 3.714,689 5.273,690 6.111,691 6.993,692 7.85,693 8.735,694 9.601,695 10.489,696 11.36,697 12.251,698 7.8,703 1,704 1,705 1,708 2,715 13,716 2,720 9,722 24,736 1,739 1,741 64,743 27,744 3,745 40,747 67,748 27,749 22,750 6,751 12,756 4,757 4,763 1,772 23,773 4,777 3,780 1,782 3,786 1,793 27,794 9,795 2,796 10,797 1,802 5,808 1,809 4,823 1,829 4,843 1,859 4,862 1,864 4,868 37,872 1,877 2,878 1,881 1,893 6.3,896 3,898 1,901 19.917,902 12.767,903 8.042,904 3.435,907 3.536,908 1.443,909 0.987,910 7.888,911 11.521,912 4.025,913 4.663,914 5.185,915 5.756,916 6.336,917 6.663,918 7.12,919 7.504,920 7.887,921 8.33,922 0.889,923 59,924 13.954,926 6.169,927 0.026,929 7.908,931 25.606,933 20.566,936 2.408,937 89.083,941 294.278,942 196.296,943 71.111,945 80.458,947 5.807,948 190.488,949 374.735,950 71.111,951 36.501,952 18.011,953 128.999,954 124.139,955 38.317,956 1.899,957 294.278,959 294.278,960 261.599,961 80.458,962 5.807,964 294.278,965 80.458,968 34.249,969 177.375,970 55.783,972 294.278,973 151.569,974 196.296,976 5.807,977 294.278,978 30.796,979 162.817,980 34.416,981 114.029,982 294.278,983 151.569,984 196.296,986 0.589,987 0.329,988 0.164,989 0.089,990 26,991 13,992 0.119,993 8,995 1,996 4.588,997 356.09,999 24,1000 176.75,1004 1,1005 26.301,1006 11.096,1007 6.518,1009 151.569,1010 22.741,1011 8.999,1015 4.846,1017 34.416,1018 642.142,1019 55,1022 -3.999,1024 37.521,1028 -0.247,1031 64.614,1032 71.816,1034 0.28,1035 0.601,1036 0.731,1037 0.825,1038 0.852,1039 0.857,1040 5.268,1041 1.984,1042 6.133,1043 6.584,1044 4.745,1045 5.352,1046 2.25,1047 6.961,1048 4.66,1049 6.513,1050 1.609,1051 7.714,1052 5.111,1053 4.511,1054 5.359,1055 1.668,1056 8.074,1057 4.349,1058 7.854,1059 1.491,1060 9.4,1061 4.408,1062 6.402,1063 7.631,1064 2.986,1065 11.08,1066 6.212,1067 9.233,1068 1.338,1069 11.151,1070 4.147,1071 6.938,1072 8.419,1073 3.047,1074 13.03,1075 6.65,1076 10.644,1077 1.04,1078 12.947,1079 3.675,1080 8.363,1081 10.229,1082 4.056,1083 15.644,1084 8.045,1085 12.079,1086 1,1087 14.776,1088 2.674,1089 9.243,1090 11.381,1091 4.412,1092 17.936,1093 8.818,1094 13.534,1095 1,1096 16.631,1097 2.275,1098 10.498,1099 13.012,1100 5.254,1101 20.457,1102 10.029,1103 3.395,1104 1,1105 18.507,1106 2.275,1107 11.541,1108 14.349,1109 5.75,1110 22.886,1111 10.964,1112 3.018,1113 12.51,1114 20.4,1115 2.275,1116 12.739,1117 15.909,1118 6.502,1119 25.392,1120 12.099,1121 2.798,1122 9.694,1123 22.309,1124 4.708,1125 13.859,1126 17.342,1127 7.068,1128 27.876,1129 13.114,1130 2.624,1131 8.714,1132 24.23,1133 4.094,1134 15.044,1135 18.877,1136 7.771,1137 30.387,1138 14.221,1139 2.58,1140 8.06,1141 26.161,1142 3.751,1143 16.204,1144 20.36,1145 8.374,1146 32.893,1147 15.278,1148 2.386,1149 7.316,1150 28.102,1151 3.49,1152 17.391,1153 21.889,1154 9.051,1155 35.409,1156 16.376,1157 2.184,1158 6.91,1159 30.05,1160 3.441,1161 18.572,1162 23.398,1163 9.674,1164 37.926,1165 17.454,1166 19557,1167 33749,1168 25.948,1169 43.87,1170 60.395,1171 62.022,1172 61.955,1173 59.899,1174 59.878,1175 81.172,1176 7.432,1177 174.778,1178 57.46,1179 5.696,1180 6.686,1181 6.859,1182 5.387,1183 5.395,1184 7.708,1185 3.306,1186 19.87,1187 5.09,1188 22.467,1189 1.51,1190 1.551,1191 1.549,1192 1.497,1193 1.497,1194 2.029,1195 0.186,1196 4.369,1197 1.437,1198 4.107,1199 4.11,1200 4.736,1201 4.071,1202 7.717,1203 4.006,1204 3.989,1205 3.998,1206 3.981,1207 3.933,1208 7.43,1209 3.917,1210 3.889,1211 3.918,1212 3.832,1213 3.821,1214 6.999,1215 3.82,1216 3.741,1217 3.773,1218 3.76,1219 3.605,1220 5.02,1221 3.587,1222 3.621,1223 3.644,1224 3.613,1225 3.48,1226 4.828,1227 3.464,1228 3.454,1229 3.509,1230 3.38,1231 3.252,1232 4.71,1233 3.258,1234 3.397,1235 3.447,1236 3.255,1237 3.184,1238 4.694,1239 3.186,1240 3.228,1241 3.294,1242 3.065,1243 2.96,1244 4.35,1245 2.97,1246 0.121,1247 0.117,1248 0.183,1249 0.108,1250 0.085,1251 4.857,1252 0.118,1253 4.686,1254 0.048,1255 7.308,1256 0.313,1257 4.313,1258 0.077,1259 3.395,1260 4.708,1261 1.907,1262 12.51,1263 3.09,1264 1.99,1265 1.98,1266 2.061,1267 2.091,1268 1.18,1269 2.096,1270 1.947,1271 1.938,1272 1.99,1273 2.025,1274 1.157,1275 2.044,1276 1.882,1277 1.857,1278 1.986,1279 1.979,1280 1.087,1281 1.984,1282 1.635,1283 1.604,1284 1.759,1285 1.832,1286 0.829,1287 1.821,1288 1.503,1289 1.489,1290 1.702,1291 1.726,1292 0.741,1293 1.732,1294 1.393,1295 1.334,1296 1.64,1297 1.634,1298 0.68,1299 1.65,1300 1.332,1301 1.285,1302 1.551,1303 1.534,1304 0.58,1305 1.56,1306 1.178,1307 1.104,1308 1.417,1309 1.462,1310 0.545,1311 1.492,1312 4.394,1314 5.733,1316 7.258,1318 8.861,1320 10.506,1322 6.879,1329 5.11,1330 5.245,1333 1.989,1340 41.948,1341 107.626,1342 230.769,1343 280.875,1344 316.98,1345 326.98,1346 328.98,1347 82.194,1348 7.985,1349 113.52,1350 121.9,1351 24,1352 12.784,1353 4.807,1354 4,1355 64.487,1356 170,1357 201,1358 0.178,1359 263.221,1360 456.97,1361 634.02,1362 31465,1364 26.579,1365 0.718,1366 0.587,1367 26.829,1368 21.705,1369 17.64,1370 0.441,1371 0.321,1372 11.309,1373 16.168,1374 10.764,1375 9.048,1376 18.461,1377 12.845,1378 16.741,1379 0.294,1380 0.178,1381 18.042,1382 10.125,1383 13.011,1384 0.183,1385 0.096,1386 14.115,1387 6.846,1388 10.578,1389 0.119,1390 0.051,1391 11.591,1392 4.524,1393 8.295,1394 0.073,1395 0.027,1396 9.137,1397 3.049,1398 0.279,1399 119.095,1400 0.196,1401 33.668,1402 0.489,1403 194,1404 613.404,1405 250.077,1406 614.718,1407 833.09,1408 568,1409 225,1410 585.285,1411 288.765,1412 634.344,1413 914.34,1414 590,1415 5.071}
{0 CHEMBL189774,1 1.531,2 13.148,3 3.074,4 9.449,5 108.562,6 7.331,7 0.414,8 4.05,9 4.152,10 3.647,11 3.59,12 5.095,13 3.541,14 4.615,15 4.785,16 3.985,17 3.986,18 5.553,19 3.903,20 4.771,21 4.941,22 4.062,23 4.127,24 5.77,25 4.013,26 4.865,27 5.065,28 3.961,29 4.117,30 5.816,31 3.979,32 4.908,33 5.158,34 3.875,35 4.025,36 5.793,37 3.884,38 4.714,39 4.92,40 3.755,41 3.953,42 5.691,43 3.8,44 4.697,45 4.942,46 3.619,47 3.884,48 5.611,49 3.685,50 4.586,51 4.854,52 3.477,53 3.687,54 5.416,55 3.543,56 0.003,57 0.709,58 12.135,59 5.629,60 8.641,61 6.893,62 0.305,63 1.159,64 25.676,65 9.455,66 26.013,67 11.308,68 0.414,69 1.362,70 31.272,71 11.669,72 35.583,73 14.175,74 0.227,75 1.435,76 33.772,77 12.815,78 39.285,79 16.032,80 0.418,81 1.421,82 36.738,83 12.361,84 45.449,85 15.885,86 0.29,87 1.222,88 29.843,89 10.953,90 40.532,91 13.409,92 0.436,93 1.197,94 31.2,95 11.287,96 49.425,97 14.418,98 0.273,99 1.025,100 26.395,101 8.861,102 28.513,103 11.911,104 28,105 39,106 0.257,107 0.558,108 0.746,109 0.828,110 0.834,111 0.841,112 3.339,113 1.038,114 -3.31,115 -3.3,116 -3.16,121 39.6,123 3,126 3,127 2,129 1,144 4,145 2,146 3,147 2,158 1,176 6,180 3,187 9,189 2,191 1,192 6,194 1,200 7,203 1,206 5,214 3,216 1,219 8,227 5,229 1,232 1,239 7,243 2,244 3,246 1,251 4,256 3,264 4,266 2,269 2,279 1,281 1186,282 18.558,283 18.558,284 18.558,285 18.558,286 18.558,287 16.979,288 22.468,289 11.08,290 19.348,291 14.157,292 14.157,293 14.157,294 14.157,295 14.157,296 11.532,297 20.083,298 5.069,299 15.144,300 4.197,301 2.405,302 1.284,303 0.797,304 0.76,305 0.722,306 4.022,310 1,311 1,312 1,313 748,314 3.674,317 64.844,318 179.811,321 122.812,325 2.091,326 22.665,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 58.5,338 355,339 4.433,340 4.688,341 6.437,342 4.067,343 3.12,344 4.091,345 3.389,346 10.099,347 2.95,348 4.05,349 3.68,350 6.068,351 3.719,352 2.754,353 3.638,354 1.975,355 8.762,356 2.671,357 3.967,358 3.173,359 5.709,360 3.602,361 2.647,362 3.252,363 0.86,364 7.513,365 2.533,366 3.652,367 2.823,368 5.487,369 3.306,370 2.341,371 2.925,372 0.86,373 7.322,374 2.233,375 3.472,376 2.747,377 5.128,378 3.134,379 2.175,380 2.745,381 0.86,382 6.363,383 2.067,384 3.093,385 2.464,386 4.717,387 2.698,388 1.771,389 2.285,391 5.118,392 1.628,393 2.505,394 2.379,395 4.115,396 2.328,397 1.439,398 1.5,400 3.494,401 1.274,402 2.5,403 2.096,404 3.943,405 2.212,406 1.268,407 1.497,409 2.841,410 1.171,411 2.448,412 2.051,413 3.452,414 1.984,415 1.136,416 1.411,418 2.655,419 0.983,420 2.223,421 1.134,422 3.414,423 1.983,424 1,425 1.204,427 2.275,428 0.945,429 1.831,430 1.054,431 3.041,432 1.561,433 0.572,434 0.664,436 1.229,437 0.555,438 1.473,439 1,440 2.887,441 1.215,442 0.364,443 0.393,445 0.499,446 0.306,447 1.396,448 0.824,449 2.741,450 1.176,451 0.245,452 0.271,454 0.458,455 0.227,456 1.388,457 0.698,458 2.489,459 1.12,460 0.241,461 0.271,463 0.413,464 0.208,465 0.863,466 0.308,467 2.4,468 0.568,469 -0.406,470 -0.477,472 -0.791,473 -0.388,474 13.067,475 0.484,476 0.533,477 0.02,478 31,479 1.148,480 14,481 0.519,482 17,483 0.63,484 24.495,485 0.907,486 30.433,487 0.574,488 22.19,489 0.822,490 6.172,491 0.229,492 6.967,493 0.258,494 0.14,496 0.298,501 0.799,502 1.328,503 0.784,504 1.124,505 0.6,506 1.051,507 1.364,508 0.846,509 1.008,510 0.805,511 0.872,512 0.804,513 0.919,514 1.067,515 1.164,516 1.151,517 1.202,518 1.092,519 0.869,520 1.255,521 1.095,522 1.27,523 1.234,524 1.209,525 1.046,526 0.867,527 0.916,528 0.891,529 0.826,530 0.874,531 1.119,532 1.092,533 1.225,534 1.15,535 1.559,536 1.141,537 0.402,538 1.073,539 1.151,540 1.201,541 0.767,542 1.104,543 0.842,544 0.868,545 0.815,546 0.852,547 0.763,548 0.811,549 5.5,550 0.151,551 2.889,552 1.417,553 1.592,554 0.903,555 0.541,556 0.362,557 0.184,558 0.136,559 9470,560 24603,561 2.035,562 49.1,563 2,564 18,566 2,568 2,569 2,572 1.695,573 1.906,574 3.663,575 -0.769,576 1,577 1,582 81.13,583 1.531,584 3.323,585 4.444,586 4.93,587 4.968,588 5.006,589 3.134,590 4.162,591 4.721,592 3.822,593 1341.48,594 8.165,595 18069.7,597 1,599 1,600 303.58,601 1.399,602 4.685,603 0.19,604 0.008,605 0.074,606 0.035,607 0.045,608 0.028,609 0.019,610 0.015,611 0.008,612 0.007,613 0.43,614 0.33,615 1,616 1.289,617 137.065,618 -0.001,619 -0.172,620 0.083,621 -0.062,622 0.014,623 -0.021,624 -0.205,625 0.241,626 0.043,627 0.247,628 -0.094,629 0.175,630 0.034,631 0.022,632 -0.081,633 -0.046,634 -0.074,635 -0.082,636 -0.026,637 -0.245,638 -0.095,639 -0.223,640 -0.085,641 -0.196,642 -0.059,643 0.092,644 0.079,645 0.072,646 0.055,647 0.099,648 -0.142,649 -0.078,650 -0.156,651 -0.087,652 -0.128,653 -0.141,654 0.273,655 -0.084,656 -0.035,657 -0.104,658 0.213,659 -0.071,660 0.003,661 0.062,662 0.132,663 0.09,664 0.082,665 0.175,666 1.37,667 5.699,668 0.556,669 29.531,670 1.001,671 1.122,672 2.084,673 4.342,674 0.66,675 3.401,676 3.689,677 3.951,678 4.174,679 4.407,680 4.477,681 4.554,682 4.663,683 4.585,684 4.477,685 7.451,686 0.616,687 388.55,688 3.401,689 4.92,690 5.759,691 6.621,692 7.484,693 8.354,694 9.227,695 10.102,696 10.98,697 11.86,698 1.9,708 1,715 6,720 5,721 1,722 12,739 2,741 53,743 13,744 1,745 29,747 55,748 21,749 11,750 4,751 2,756 3,757 4,767 2,770 4,772 12,773 9,777 1,782 1,786 1,790 1,793 26,794 4,796 6,797 1,802 1,803 1,808 0.667,809 4,822 1,828 1,829 2,832 1,841 1,858 1,859 2,860 1,862 1,864 3,868 27,876 5,878 3,879 1,880 1,893 7.5,896 1,897 1,898 2,901 14.167,902 10.417,903 6.25,904 3.069,907 2.185,908 1.3,909 0.937,910 7.162,911 9.478,912 3.611,913 4.143,914 4.659,915 5.14,916 5.674,917 5.806,918 5.966,919 6.193,920 6.216,921 6.104,922 0.889,923 40,924 10.006,926 4.103,927 0.026,929 7.654,931 19.387,933 15.575,936 2.154,937 58.167,940 1,941 306.049,942 158.712,943 1.899,945 58.145,947 32.22,948 126.493,949 364.193,950 1.899,951 32.649,952 14.302,953 37.905,954 66.72,955 58.503,957 314.726,959 306.049,960 128.392,961 58.145,962 32.22,964 282.506,965 70.687,966 11,968 32.397,969 94.096,970 1.899,971 32.22,972 306.049,973 60.044,974 158.712,977 306.049,978 70.063,979 90.548,981 58.145,982 306.049,983 60.044,984 158.712,986 0.564,987 0.337,988 0.177,989 0.102,990 17,991 8,992 0.164,993 9,994 1,995 1.133,996 3.965,997 216.263,998 0.133,999 15,1000 124.382,1001 1,1005 20.183,1006 9.581,1007 5.036,1009 58.145,1010 12.2,1015 4.889,1016 2.082,1018 524.805,1019 36,1024 12.699,1028 0.297,1031 53.032,1032 59.446,1034 0.267,1035 0.58,1036 0.776,1037 0.861,1038 0.867,1039 0.874,1040 4.836,1041 1.268,1042 5.727,1043 3.494,1044 4.369,1045 4.828,1046 3.535,1047 6.509,1048 4.255,1049 6.01,1050 1.136,1051 7.269,1052 2.841,1053 3.892,1054 4.605,1055 2.036,1056 7.345,1057 3.751,1058 7.302,1059 1,1060 8.907,1061 2.655,1062 5.938,1063 6.945,1064 5.628,1065 10.406,1066 5.739,1067 8.63,1068 0.572,1069 10.602,1070 2.275,1071 6.293,1072 7.519,1073 4.168,1074 12.045,1075 6.05,1076 9.989,1077 0.364,1078 12.33,1079 1.229,1080 7.776,1081 9.346,1082 7.987,1083 14.608,1084 7.493,1085 11.369,1086 0.245,1087 14.082,1088 0.499,1089 8.517,1090 10.283,1091 6.596,1092 16.591,1093 8.174,1094 12.763,1095 0.241,1096 15.851,1097 0.458,1098 9.772,1099 11.897,1100 10.393,1101 18.978,1102 9.393,1103 3.12,1104 -0.406,1105 17.631,1106 0.413,1107 10.701,1108 13.026,1109 9.16,1110 21.123,1111 10.256,1112 2.754,1113 10.099,1114 19.422,1115 -0.791,1116 11.863,1117 14.536,1118 12.812,1119 23.447,1120 11.378,1121 2.647,1122 8.762,1123 21.22,1124 4.091,1125 12.886,1126 15.776,1127 11.751,1128 25.67,1129 12.335,1130 2.341,1131 7.513,1132 23.025,1133 3.638,1134 14.012,1135 17.232,1136 15.235,1137 27.973,1138 13.416,1139 2.175,1140 7.322,1141 24.835,1142 3.252,1143 15.082,1144 18.536,1145 14.332,1146 30.234,1147 14.421,1148 1.771,1149 6.363,1150 26.65,1151 2.925,1152 16.198,1153 19.964,1154 17.659,1155 32.533,1156 15.487,1157 1.439,1158 5.118,1159 28.469,1160 2.745,1161 17.292,1162 21.308,1163 16.895,1164 34.815,1165 16.519,1166 9331,1167 15153,1168 19.186,1169 34.989,1170 42.105,1171 45.614,1172 44.343,1173 42.046,1174 42.147,1175 52.291,1176 15.888,1177 118.08,1178 39.501,1179 5.371,1180 6.688,1181 6.3,1182 5.184,1183 5.12,1184 7.091,1185 6.716,1186 16.854,1187 4.95,1188 13.979,1189 1.452,1190 1.573,1191 1.529,1192 1.45,1193 1.453,1194 1.803,1195 0.548,1196 4.072,1197 1.362,1198 4.021,1199 4.051,1200 4.137,1201 3.978,1202 7.426,1203 3.95,1204 3.953,1205 3.98,1206 3.904,1207 3.847,1208 4.922,1209 3.851,1210 3.655,1211 3.687,1212 3.626,1213 3.505,1214 4.792,1215 3.509,1216 3.5,1217 3.539,1218 3.409,1219 3.311,1220 4.597,1221 3.309,1222 3.347,1223 3.4,1224 3.267,1225 3.144,1226 4.495,1227 3.141,1228 3.247,1229 3.313,1230 3.068,1231 2.958,1232 4.334,1233 2.962,1234 3.141,1235 3.216,1236 2.969,1237 2.889,1238 3.945,1239 2.892,1240 3.022,1241 3.119,1242 2.876,1243 2.811,1244 3.693,1245 2.786,1246 0.153,1247 0.162,1248 0.222,1249 0.14,1250 0.108,1251 4.433,1252 0.141,1253 4.688,1254 0.117,1255 6.437,1256 0.348,1257 4.067,1258 0.102,1259 3.12,1260 4.091,1261 3.389,1262 10.099,1263 2.95,1264 1.934,1265 1.893,1266 2.065,1267 2.085,1268 1.282,1269 2.081,1270 1.868,1271 1.858,1272 1.951,1273 1.965,1274 1.181,1275 1.96,1276 1.647,1277 1.616,1278 1.823,1279 1.821,1280 1.088,1281 1.83,1282 1.458,1283 1.409,1284 1.692,1285 1.686,1286 0.946,1287 1.693,1288 1.278,1289 1.216,1290 1.59,1291 1.535,1292 0.747,1293 1.555,1294 1.193,1295 1.131,1296 1.574,1297 1.517,1298 0.576,1299 1.536,1300 1.176,1301 1.101,1302 1.508,1303 1.428,1304 0.574,1305 1.469,1306 1.075,1307 0.981,1308 1.444,1309 1.317,1310 0.555,1311 1.373,1312 4.078,1314 5.371,1315 2.398,1316 6.86,1317 4.727,1318 8.439,1319 6.843,1320 10.068,1322 4.963,1328 3.605,1330 15.815,1331 1.637,1332 -0.021,1340 32.653,1341 81.13,1342 176.122,1343 235.541,1344 261.315,1345 263.315,1346 265.315,1347 51.028,1348 7.294,1349 48.64,1350 73.94,1351 17,1352 12.397,1353 3.807,1354 3,1355 47.397,1356 120,1357 142,1358 0.192,1359 204.912,1360 360.49,1361 491.744,1362 14624,1364 19.225,1365 0.712,1366 0.627,1367 19.579,1368 16.935,1369 13.139,1370 0.453,1371 0.346,1372 9.054,1373 12.039,1374 8.672,1375 7.204,1376 13.547,1377 10.032,1378 11.143,1379 0.286,1380 0.202,1381 11.786,1382 7.896,1383 9.571,1384 0.188,1385 0.122,1386 10.409,1387 6.226,1388 7.499,1389 0.117,1390 0.071,1391 8.372,1392 4.554,1393 6.221,1394 0.077,1395 0.04,1396 7.031,1397 3.25,1398 0.311,1399 87.543,1400 0.228,1401 26.53,1402 0.499,1403 136,1404 410.135,1405 173.779,1406 399.979,1407 534.78,1408 378,1409 158,1410 354.108,1411 194.569,1412 375.356,1413 543.48,1414 348,1415 7.522}
{0 CHEMBL189797,1 1.473,2 17.281,3 4.933,4 24.337,5 123.628,6 6.884,7 0.353,8 4.23,9 4.345,10 3.718,11 3.709,12 5.276,13 3.686,14 4.797,15 4.982,16 4.021,17 4.07,18 5.832,19 4.019,20 5.018,21 5.233,22 4.015,23 4.178,24 6.008,25 4.086,26 5.065,27 5.315,28 3.908,29 4.144,30 5.975,31 4.024,32 5.007,33 5.259,34 3.802,35 4.107,36 5.868,37 3.969,38 5.002,39 5.268,40 3.747,41 4.09,42 5.827,43 3.934,44 4.981,45 5.247,46 3.633,47 4.046,48 5.765,49 3.879,50 4.911,51 5.182,52 3.59,53 3.976,54 5.697,55 3.81,56 0.017,57 0.865,58 14.444,59 6.214,60 7.454,61 8.23,62 0.444,63 1.351,64 27.665,65 9.828,66 39.953,67 13.548,68 0.458,69 1.559,70 35.23,71 12.572,72 57.359,73 17.351,74 0.545,75 1.585,76 37.64,77 12.667,78 62.632,79 18.146,80 0.439,81 1.527,82 35.17,83 12.165,84 51.065,85 17.534,86 0.446,87 1.509,88 35.029,89 12.339,90 52.82,91 17.98,92 0.508,93 1.458,94 34.62,95 11.952,96 51.034,97 17.249,98 0.39,99 1.359,100 32.1,101 11.224,102 43.455,103 16.37,104 20,105 44,106 0.237,107 0.534,108 0.757,109 0.868,110 0.897,111 0.897,112 3.501,113 0.984,114 -3.64,115 -3.61,116 -3.44,121 39.1,123 5,126 2,127 4,144 7,145 2,146 3,159 1,161 1,176 10,179 1,180 10,183 2,187 10,191 1,192 9,200 5,205 1,206 10,211 2,214 4,218 1,219 5,224 2,227 6,231 1,232 4,237 1,239 8,243 1,244 2,247 1,251 9,255 1,256 3,264 9,269 4,274 1,277 6,281 1980,282 21.714,283 21.714,284 21.714,285 21.714,286 21.714,287 20.02,288 27.167,289 13.337,290 22.233,291 16.765,292 16.765,293 16.765,294 16.765,295 16.765,296 14.006,297 32.925,298 6.364,299 17.516,300 4.527,301 2.683,302 1.299,303 0.61,304 0.43,305 0.43,306 4.186,311 1,312 1,313 1171,314 4.472,317 97.037,318 239.087,321 169.045,325 2.639,326 30.3,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 70,338 553,339 4.407,340 3.708,341 6.49,342 4.048,343 3.065,344 4.035,345 2.186,346 10.093,347 3.014,348 4.105,349 3.66,350 5.681,351 3.723,352 2.761,353 3.688,354 1.571,355 7.996,356 2.661,357 3.723,358 2.984,359 5.37,360 3.38,361 2.451,362 3.071,363 0.916,364 6.977,365 2.277,366 3.672,367 2.951,368 5.29,369 3.351,370 2.4,371 2.886,372 0.86,373 6.815,374 2.261,375 3.378,376 2.632,377 4.862,378 3.123,379 2.167,380 2.515,381 0.699,382 5.594,383 2.055,384 3.12,385 2.583,386 4.827,387 2.853,388 1.864,389 2.26,390 0.366,391 5.086,392 1.837,393 3.089,394 2.172,395 4.585,396 2.749,397 1.777,398 2.175,399 0.172,400 4.814,401 1.712,402 2.837,403 1.9,404 4.116,405 2.686,406 1.714,407 1.874,409 3.699,410 1.65,411 2.76,412 1.773,413 3.856,414 2.404,415 1.448,416 1.798,418 3.576,419 1.375,420 2.657,421 1.528,422 3.523,423 2.309,424 1.33,425 1.722,427 2.872,428 1.295,429 2.41,430 1.278,431 3.476,432 2.177,433 1.186,434 1.405,436 2.604,437 1.174,438 1.925,439 1.223,440 3.219,441 1.801,442 0.849,443 0.889,445 1.818,446 0.801,447 1.855,448 1.101,449 3.09,450 1.567,451 0.636,452 0.753,454 1.474,455 0.584,456 1.507,457 1.046,458 2.841,459 1.299,460 0.383,461 0.409,463 0.593,464 0.347,465 1.364,466 0.633,467 2.745,468 1.214,469 0.264,470 0.279,472 0.554,473 0.249,474 14.967,475 0.468,476 0.626,477 0.02,478 36.75,479 1.148,480 16.5,481 0.516,482 20.25,483 0.633,484 28.922,485 0.904,486 36.633,487 0.572,488 27.271,489 0.852,490 7.278,491 0.227,492 8.268,493 0.258,494 0.111,496 0.261,501 0.781,502 1.446,503 0.852,504 1.29,505 0.577,506 1.11,507 0.929,508 0.997,509 0.956,510 1.007,511 0.563,512 0.976,513 1.014,514 1.101,515 0.999,516 1.097,517 0.856,518 1.056,519 0.939,520 0.992,521 0.955,522 0.971,523 0.833,524 0.967,525 0.852,526 1.036,527 1.011,528 1.041,529 0.833,530 1.052,531 0.659,532 1.025,533 0.936,534 1.033,535 0.512,536 1.035,537 0.838,538 0.926,539 1.057,540 0.997,541 0.723,542 1.058,543 0.714,544 1.009,545 0.968,546 1.033,547 0.677,548 1.047,549 6,550 0.127,551 2.444,552 1.979,553 0.991,554 0.691,555 0.439,556 0.312,557 0.196,558 0.116,559 18539,560 50395,561 2.03,562 50,563 6,564 21,567 1,569 4,572 1.733,573 1.92,574 4.041,575 -0.372,582 94.294,583 1.473,584 3.317,585 4.701,586 5.39,587 5.57,588 5.57,589 3.492,590 4.75,591 4.976,592 4.254,593 2110.1,594 8.633,595 36309.5,597 1,600 384,601 1.299,602 4.94,603 0.176,604 0.006,605 0.056,606 0.047,607 0.027,608 0.021,609 0.014,610 0.012,611 0.008,612 0.005,613 0.371,614 0.33,615 0.88,616 1,617 177.771,618 -0.016,619 -0.191,620 0.057,621 -0.112,622 -0.01,623 -0.029,624 0.07,625 0.133,626 0.018,627 0.031,628 0.117,629 0.023,630 -0.013,631 -0.094,632 -0.022,633 -0.073,634 0.041,635 -0.053,636 -0.005,637 -0.026,638 0.024,639 0.007,640 0.023,641 0.019,642 -0.033,643 -0.05,644 -0.051,645 -0.053,646 -0.044,647 -0.056,648 0.055,649 -0.06,650 0.01,651 -0.043,652 0.062,653 -0.027,654 -0.036,655 0.036,656 -0.096,657 -0.023,658 -0.057,659 -0.066,660 0.011,661 -0.057,662 -0.019,663 -0.051,664 -0.008,665 -0.044,666 2.126,667 4.568,668 0.469,669 40.742,670 1.001,671 1.129,672 2.407,673 5.796,674 0.636,675 3.555,676 3.807,677 3.989,678 4.19,679 4.304,680 4.317,681 4.344,682 4.357,683 4.143,684 4.043,685 10.122,686 0.602,687 440.59,688 3.555,689 5.056,690 5.861,691 6.698,692 7.52,693 8.367,694 9.198,695 10.05,696 10.887,697 11.743,698 3.1,701 1,705 1,715 7,720 5,722 12,727 1,737 1,739 2,741 64,743 14,744 2,745 34,747 66,748 25,749 12,750 5,751 7,752 1,756 3,757 4,770 5,772 14,773 11,777 2,782 2,786 2,793 32,794 7,795 1,796 7,802 2,808 0.667,809 5,828 1,829 2,832 1,855 1,859 2,864 2,868 32,876 9,877 1,878 3,881 1,893 7.8,896 2,898 3,901 16.667,902 11.867,903 7.306,904 4.004,907 2.209,908 1.3,909 0.937,910 9.536,911 9.578,912 3.761,913 4.234,914 4.677,915 5.162,916 5.601,917 5.709,918 5.85,919 5.946,920 5.654,921 5.445,922 1,923 42,924 11.855,926 4.833,927 0.026,929 7.755,931 22.834,933 18.053,936 2.255,937 72.167,941 364.904,942 143.193,943 21.135,945 83.29,948 143.193,949 448.194,950 21.135,951 16.793,952 44.08,953 66.334,954 55.423,955 58.225,956 6.763,957 364.904,959 364.904,960 164.328,961 83.29,964 317.82,965 130.374,968 47.204,969 117.124,972 364.904,973 104.425,974 143.193,977 364.904,978 60.066,979 86.251,980 18.011,981 83.29,982 364.904,983 104.425,984 143.193,986 0.561,987 0.312,988 0.162,989 0.084,990 17,991 8,992 0.197,993 13,994 1,995 1.133,996 4.642,997 250.853,998 0.133,999 15,1000 158,1005 24.244,1006 12.587,1007 7.913,1009 104.425,1010 13.037,1015 3.699,1017 18.011,1018 612.521,1019 42,1024 22.907,1028 -0.431,1031 64.094,1032 72.272,1034 0.246,1035 0.553,1036 0.784,1037 0.898,1038 0.928,1039 0.928,1040 4.97,1041 1.714,1042 5.802,1043 4.814,1044 4.489,1045 4.92,1046 2.914,1047 6.515,1048 4.407,1049 6.115,1050 1.448,1051 7.296,1052 3.699,1053 3.892,1054 4.59,1055 1.847,1056 7.209,1057 3.788,1058 7.378,1059 1.33,1060 8.888,1061 3.576,1062 5.984,1063 6.953,1064 3.861,1065 10.279,1066 5.83,1067 8.674,1068 1.186,1069 10.538,1070 2.872,1071 6.217,1072 7.443,1073 3.603,1074 11.855,1075 6.044,1076 10.005,1077 0.849,1078 12.229,1079 2.604,1080 7.742,1081 9.3,1082 5.116,1083 14.421,1084 7.535,1085 11.359,1086 0.636,1087 13.95,1088 1.818,1089 8.395,1090 10.189,1091 5.291,1092 16.399,1093 8.175,1094 12.733,1095 0.383,1096 15.694,1097 1.474,1098 9.671,1099 11.823,1100 6.506,1101 18.788,1102 9.427,1103 3.065,1104 0.264,1105 17.457,1106 0.593,1107 10.544,1108 12.923,1109 6.93,1110 20.949,1111 10.291,1112 2.761,1113 10.093,1114 19.236,1115 0.554,1116 11.71,1117 14.443,1118 7.968,1119 23.278,1120 11.439,1121 2.451,1122 7.996,1123 21.028,1124 4.035,1125 12.696,1126 15.662,1127 8.539,1128 25.521,1129 12.416,1130 2.4,1131 6.977,1132 22.831,1133 3.688,1134 13.817,1135 17.12,1136 9.471,1137 27.831,1138 13.524,1139 2.167,1140 6.815,1141 24.644,1142 3.071,1143 14.861,1144 18.406,1145 10.13,1146 30.11,1147 14.557,1148 1.864,1149 5.594,1150 26.466,1151 2.886,1152 15.966,1153 19.83,1154 11,1155 32.417,1156 15.65,1157 1.777,1158 5.086,1159 28.294,1160 2.515,1161 17.039,1162 21.156,1163 11.71,1164 34.712,1165 16.713,1166 17852,1167 29642,1168 22.652,1169 40.705,1170 48.559,1171 50.824,1172 50.295,1173 48.515,1174 48.59,1175 59.519,1176 13.543,1177 129.133,1178 46.581,1179 5.372,1180 5.708,1181 6.38,1182 5.122,1183 5.065,1184 7.035,1185 3.889,1186 16.716,1187 5.014,1188 16.109,1189 1.428,1190 1.495,1191 1.479,1192 1.427,1193 1.429,1194 1.751,1195 0.398,1196 3.798,1197 1.37,1198 3.999,1199 4.013,1200 3.955,1201 3.899,1202 7.435,1203 3.909,1204 3.938,1205 3.963,1206 3.877,1207 3.854,1208 7.427,1209 3.855,1210 3.769,1211 3.827,1212 3.619,1213 3.641,1214 4.895,1215 3.625,1216 3.608,1217 3.673,1218 3.487,1219 3.414,1220 4.813,1221 3.414,1222 3.524,1223 3.586,1224 3.425,1225 3.244,1226 4.511,1227 3.273,1228 3.434,1229 3.477,1230 3.327,1231 3.206,1232 4.329,1233 3.241,1234 3.314,1235 3.378,1236 3.139,1237 3.136,1238 4.242,1239 3.128,1240 3.055,1241 3.129,1242 2.872,1243 2.87,1244 4.126,1245 2.855,1246 0.13,1247 0.109,1248 0.191,1249 0.119,1250 0.09,1251 4.407,1252 0.119,1253 3.708,1254 0.064,1255 6.49,1256 0.297,1257 4.048,1258 0.089,1259 3.065,1260 4.035,1261 2.186,1262 10.093,1263 3.014,1264 1.912,1265 1.885,1266 2.052,1267 2.028,1268 1.392,1269 2.035,1270 1.869,1271 1.856,1272 2.008,1273 1.977,1274 1.209,1275 1.983,1276 1.773,1277 1.713,1278 1.945,1279 1.92,1280 1.111,1281 1.935,1282 1.576,1283 1.507,1284 1.831,1285 1.794,1286 1.059,1287 1.806,1288 1.406,1289 1.352,1290 1.692,1291 1.726,1292 0.855,1293 1.716,1294 1.374,1295 1.332,1296 1.658,1297 1.628,1298 0.722,1299 1.623,1300 1.335,1301 1.261,1302 1.561,1303 1.579,1304 0.682,1305 1.587,1306 1.072,1307 1,1308 1.436,1309 1.327,1310 0.662,1311 1.364,1312 4.234,1314 5.501,1315 2.398,1316 6.942,1317 4.727,1318 8.469,1319 6.804,1320 10.048,1322 3.647,1328 8.26,1329 2.449,1330 16.318,1333 2.281,1340 38.519,1341 94.294,1342 212.293,1343 300.865,1344 344.98,1345 356.49,1346 356.49,1347 67.298,1348 7.37,1349 77.1,1350 77.1,1351 17,1352 12.301,1353 3.907,1354 3.17,1355 62.109,1356 201,1357 160,1358 0.144,1359 238.549,1360 427.01,1361 573.821,1362 20499,1364 22.761,1365 0.711,1366 0.59,1367 22.761,1368 18.894,1369 15.546,1370 0.457,1371 0.328,1372 10.964,1373 14.832,1374 10.676,1375 8.925,1376 15.546,1377 11.148,1378 13.345,1379 0.303,1380 0.182,1381 13.345,1382 8.011,1383 10.493,1384 0.198,1385 0.101,1386 10.493,1387 5.331,1388 8.305,1389 0.128,1390 0.056,1391 8.305,1392 3.624,1393 6.164,1394 0.084,1395 0.032,1396 6.164,1397 2.309,1398 0.245,1399 98.319,1400 0.21,1401 31.619,1402 0.349,1403 156,1404 498.656,1405 175.079,1406 462.938,1407 617.55,1408 434,1409 175,1410 436.624,1411 193.225,1412 436.961,1413 633.34,1414 408,1415 5.793}
{0 CHEMBL189870,1 1.619,2 8.577,3 4.199,4 17.634,5 104.954,6 8.011,7 0.643,8 3.921,9 4.017,10 3.701,11 3.545,12 5.057,13 3.492,14 4.409,15 4.542,16 4.004,17 3.918,18 5.729,19 3.849,20 4.669,21 4.82,22 4.124,23 4.077,24 5.874,25 3.976,26 4.84,27 5.035,28 4.149,29 4.058,30 6.091,31 3.96,32 4.786,33 4.954,34 4.147,35 4.058,36 6.211,37 3.986,38 4.76,39 4.92,40 4.088,41 4.096,42 6.07,43 4.029,44 4.801,45 4.972,46 3.899,47 4.075,48 6.135,49 3.988,50 4.743,51 4.984,52 3.509,53 3.918,54 5.775,55 3.762,56 0.107,57 0.651,58 11.541,59 4.582,60 21.242,61 5.217,62 0.265,63 1.016,64 16.703,65 7.446,66 42.036,67 8.961,68 0.182,69 1.316,70 26.449,71 10.502,72 34.808,73 11.83,74 0.47,75 1.465,76 34.687,77 11.746,78 89.556,79 13.007,80 0.635,81 1.351,82 33.134,83 11.43,84 122.874,85 12.164,86 0.355,87 1.328,88 30.16,89 11.034,90 76.184,91 12.306,92 0.504,93 1.357,94 28.048,95 10.674,96 104.358,97 12.549,98 0.321,99 1.255,100 26.311,101 10.571,102 68.187,103 14.061,104 26,105 40,106 0.275,107 0.549,108 0.678,109 0.808,110 0.84,111 0.84,112 3.305,113 1.022,114 -4.26,115 -4.2,116 -3.97,121 43.5,122 1,127 1,144 12,145 2,146 4,165 1,166 1,167 1,176 12,179 3,180 2,185 3,187 13,189 2,192 10,195 1,197 2,200 8,203 1,206 12,210 1,211 1,213 1,214 1,219 12,221 1,222 3,224 1,227 8,232 7,237 4,239 18,244 2,246 2,247 2,249 5,251 19,253 1,261 6,264 14,266 4,274 5,277 8,279 4,281 1132,282 17.048,283 17.048,284 17.048,285 17.048,286 17.048,287 14.477,288 18.533,289 9.992,290 17.293,291 13.796,292 13.796,293 13.796,294 13.796,295 13.796,296 10.035,297 22.894,298 4.757,299 14.25,300 3.905,301 2.297,302 1.533,303 0.772,304 0.582,305 0.582,306 3.979,311 1,312 1,313 469,314 3.606,318 283.199,325 1.225,326 37.071,328 1,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 56,338 223,339 4.961,340 4.731,341 7.734,342 4.487,343 3.56,344 4.78,345 0.657,346 13.977,347 3.28,348 4.234,349 3.168,350 6.345,351 3.799,352 2.843,353 3.884,355 9.373,356 2.707,357 3.904,358 2.746,359 5.52,360 3.512,361 2.522,362 3.453,364 7.19,365 2.498,366 3.833,367 2.561,368 5.266,369 3.398,370 2.399,371 3.392,373 6.462,374 2.394,375 3.488,376 2.342,377 5.039,378 3.102,379 2.138,380 2.805,382 5.992,383 2.053,384 3.107,385 2.025,386 4.858,387 2.699,388 1.735,389 2.319,391 5.005,392 1.667,393 2.935,394 1.564,395 4.311,396 2.472,397 1.475,398 2.097,400 3.852,401 1.47,402 2.835,403 1.535,404 3.854,405 2.375,406 1.4,407 1.965,409 3.182,410 1.359,411 2.5,412 1.044,413 3.552,414 2,415 1,416 1.5,418 2.352,419 1,420 2.5,421 1,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.231,430 1,431 3.247,432 1.844,433 0.88,434 1.13,436 2.136,437 0.845,438 1.262,439 0.377,440 2.892,441 0.952,447 1.12,448 0.277,449 2.737,450 0.758,451 -0.22,452 -0.276,454 -0.485,455 -0.213,456 1,457 -0.176,458 2.535,459 0.478,460 -0.503,461 -0.62,463 -1.234,464 -0.468,465 0.846,466 -0.305,467 2.359,468 0.416,469 -0.52,470 -0.647,472 -1.248,473 -0.505,474 12.633,475 0.486,476 0.797,477 0.031,478 38,479 1.462,480 22.5,481 0.865,482 15.5,483 0.596,484 18.239,485 0.701,486 27.567,487 0.599,488 30.662,489 1.179,490 7.539,491 0.29,492 4.836,493 0.186,494 0.15,495 0.066,496 0.269,501 0.657,502 1.129,503 0.852,504 1.111,505 0.826,506 0.882,507 0.553,508 1.07,509 0.786,510 0.934,511 0.561,512 0.923,513 0.909,514 1.354,515 1.261,516 1.351,517 0.877,518 1.166,519 1.447,520 1.038,521 1.17,522 1.067,523 1.44,524 0.943,525 1.529,526 0.841,527 1.24,528 0.996,529 1.487,530 0.835,531 1.437,532 0.978,533 1.183,534 1.085,535 1.489,536 0.934,537 1.421,538 0.971,539 1.16,540 1.019,541 1.411,542 1.129,543 0.87,544 0.994,545 0.832,546 0.908,547 0.886,548 1.123,549 6.5,550 0.078,551 3.778,552 2.375,553 2.027,554 1.319,555 0.691,556 0.41,557 0.36,558 0.133,559 6742,560 18953,561 2.005,562 43.5,563 3,564 14,567 3,572 1.701,573 1.846,574 3.059,575 0.936,577 1,582 74.452,583 1.619,584 3.227,585 3.99,586 4.752,587 4.942,588 4.942,589 2.484,590 4.056,591 4.67,592 3.219,593 1046.08,594 8.151,595 12773.2,597 1,599 1,600 254.084,601 1.648,602 4.606,603 0.232,604 0.013,605 0.094,606 0.057,607 0.051,608 0.03,609 0.015,610 0.011,611 0.014,612 0.009,613 0.526,614 0.17,615 1,616 0.638,617 124.027,618 0.041,619 0.006,620 0.194,621 0.002,622 -0.203,623 0.069,624 0.265,625 0.005,626 0.122,627 0.056,628 0.2,629 0.015,630 0.002,631 -0.277,632 -0.098,633 -0.227,634 -0.01,635 -0.198,636 -0.108,637 -0.01,638 0.023,639 0.001,640 -0.083,641 0.01,642 0.004,643 0.168,644 -0.023,645 0.102,646 0.091,647 0.113,648 -0.178,649 0.009,650 -0.117,651 -0.036,652 -0.108,653 0.023,654 -0.185,655 -0.004,656 -0.311,657 -0.118,658 -0.129,659 -0.205,660 -0.086,661 -0.116,662 -0.095,663 -0.066,664 -0.106,665 -0.125,666 4.789,667 6.269,668 0.692,669 20.343,670 1.005,671 1.115,672 3.033,673 9.2,674 0.693,675 3.367,676 3.714,677 3.951,678 4.174,679 4.419,680 4.431,681 4.454,682 4.489,683 4.511,684 4.344,685 5.391,686 0.655,687 368.49,688 3.367,689 4.92,690 5.765,691 6.653,692 7.525,693 8.42,694 9.304,695 10.204,696 11.095,697 11.998,698 4.3,702 1,704 1,715 12,720 6,722 18,733 1,738 1,741 46,743 20,744 3,745 28,747 48,748 20,749 18,750 6,751 12,756 3,757 3,763 1,772 18,773 2,777 2,780 1,782 2,790 1,793 20,794 5,795 3,796 6,797 1,802 2,808 1,809 3,829 3,859 3,862 1,864 1,868 26,869 1,872 1,875 1,876 1,881 1,893 6.5,895 1,896 2,901 14.083,902 8.233,903 5.639,904 2.463,907 2.281,908 1.338,909 0.983,910 5.209,911 9.038,912 3.689,913 4.337,914 4.838,915 5.342,916 5.875,917 5.971,918 6.19,919 6.43,920 6.765,921 6.941,922 0.833,923 42,924 9.927,926 4.553,927 0.026,929 7.978,931 18.072,933 14.923,936 2.478,937 64.417,940 1,941 200.109,942 143.889,943 34.416,945 86.996,947 5.807,948 138.081,949 287.105,950 34.416,951 8.825,952 2.106,953 152.42,954 86.996,955 14.954,957 200.109,959 200.109,960 172.497,961 86.996,962 5.807,964 200.109,965 86.996,968 10.931,969 161.566,970 5.807,972 200.109,973 121.412,974 143.889,976 5.807,977 200.109,978 15.541,979 124.059,981 119.893,982 200.109,983 121.412,984 143.889,986 0.59,987 0.338,988 0.174,989 0.102,990 19,991 9,992 0.104,993 5,995 1,996 3.59,997 222.861,999 18,1000 112.211,1004 1,1005 18.302,1006 7.4,1007 4.031,1009 121.412,1010 20.278,1015 2.294,1017 75.581,1018 465.409,1019 39,1022 -3.872,1024 26.538,1031 46.214,1032 51.282,1034 0.293,1035 0.584,1036 0.722,1037 0.86,1038 0.895,1039 0.895,1040 4.924,1041 1.4,1042 5.796,1043 3.852,1044 4.394,1045 5.024,1046 0.623,1047 6.668,1048 4.323,1049 6.177,1050 1,1051 7.407,1052 3.182,1053 4.205,1054 5.075,1056 7.966,1057 4.03,1058 7.532,1059 1,1060 9.142,1061 2.352,1062 6.089,1063 7.339,1064 0.317,1065 11.066,1066 5.906,1067 8.931,1068 0.88,1069 10.959,1070 2.275,1071 6.723,1072 8.201,1074 13.255,1075 6.404,1076 10.369,1078 12.834,1079 2.136,1080 8.161,1081 10.005,1082 0.149,1083 16.009,1084 7.819,1085 11.837,1086 -0.22,1087 14.75,1089 9.155,1090 11.234,1092 18.5,1093 8.676,1094 13.328,1095 -0.503,1096 16.697,1097 -0.485,1098 10.452,1099 12.872,1100 0.067,1101 21.168,1102 9.922,1103 3.56,1104 -0.52,1105 18.668,1106 -1.234,1107 11.602,1108 14.274,1110 23.756,1111 10.948,1112 2.843,1113 13.977,1114 20.657,1115 -1.248,1116 12.861,1117 15.853,1118 0.03,1119 26.401,1120 12.137,1121 2.522,1122 9.373,1123 22.659,1124 4.78,1125 14.076,1126 17.337,1128 29.021,1129 13.243,1130 2.399,1131 7.19,1132 24.671,1133 3.884,1134 15.33,1135 18.897,1136 0.013,1137 31.66,1138 14.416,1139 2.138,1140 6.462,1141 26.691,1142 3.453,1143 16.573,1144 20.42,1146 34.291,1147 15.56,1148 1.735,1149 5.992,1150 28.716,1151 3.392,1152 17.831,1153 21.977,1154 0.006,1155 36.929,1156 16.733,1157 1.475,1158 5.005,1159 30.746,1160 2.805,1161 19.087,1162 23.519,1164 39.563,1165 17.896,1166 6669,1167 11341,1168 18.087,1169 31.875,1170 42.411,1171 42.827,1172 43.493,1173 42.003,1174 41.9,1175 57.649,1176 1.315,1177 123.589,1178 40.547,1179 5.827,1180 6.731,1181 7.536,1182 5.536,1183 5.56,1184 7.78,1185 1.315,1186 22.359,1187 5.28,1188 13.944,1189 1.515,1190 1.53,1191 1.553,1192 1.5,1193 1.496,1194 2.059,1195 0.047,1196 4.414,1197 1.448,1198 4.118,1199 4.107,1200 4.744,1201 4.095,1202 7.715,1203 4.02,1204 3.903,1205 3.929,1206 3.863,1207 3.848,1208 6.999,1209 3.838,1210 3.859,1211 3.888,1212 3.794,1213 3.791,1214 6.469,1215 3.789,1216 3.646,1217 3.636,1218 3.723,1219 3.58,1220 5.09,1221 3.505,1222 3.185,1223 3.255,1224 3.079,1225 3.034,1226 4.756,1227 3.023,1228 3.007,1229 3.086,1230 2.881,1231 2.842,1232 4.699,1233 2.815,1234 3.007,1235 3.065,1236 2.839,1237 2.762,1238 4.376,1239 2.77,1240 2.91,1241 2.965,1242 2.764,1243 2.744,1244 3.861,1245 2.736,1246 0.177,1247 0.169,1248 0.276,1249 0.16,1250 0.127,1251 4.961,1252 0.171,1253 4.731,1254 0.023,1255 7.734,1256 0.499,1257 4.487,1258 0.117,1259 3.56,1260 4.78,1261 0.657,1262 13.977,1263 3.28,1264 2.001,1265 2.004,1266 2.051,1267 2.082,1268 1.257,1269 2.109,1270 1.904,1271 1.877,1272 2.02,1273 1.982,1274 1.139,1275 2.001,1276 1.853,1277 1.828,1278 1.957,1279 1.95,1280 1.038,1281 1.957,1282 1.505,1283 1.522,1284 1.543,1285 1.654,1286 0.787,1287 1.695,1288 1.18,1289 1.113,1290 1.475,1291 1.391,1292 0.616,1293 1.425,1294 0.977,1295 0.926,1296 1.216,1297 1.257,1298 0.304,1299 1.251,1300 0.905,1301 0.85,1302 1.181,1303 1.188,1304 0.218,1305 1.234,1306 0.886,1307 0.829,1308 1.181,1309 1.126,1310 0.218,1311 1.129,1312 4.043,1314 5.38,1316 6.919,1318 8.547,1320 10.223,1322 1.893,1326 5.689,1327 10.308,1328 0.092,1333 1.196,1340 30.116,1341 74.452,1342 148.435,1343 183.555,1344 218.574,1345 227.329,1346 227.329,1347 63.343,1348 6.757,1349 83.63,1350 92.01,1351 18,1352 12.521,1353 4.392,1354 3.585,1355 43.77,1356 77,1357 96,1358 0.262,1359 190.799,1360 327.9,1361 457.309,1362 6024,1364 18.734,1365 0.721,1366 0.583,1367 18.984,1368 15.148,1369 12.375,1370 0.442,1371 0.341,1372 8.145,1373 11.306,1374 7.776,1375 6.509,1376 13.164,1377 9.536,1378 11.684,1379 0.292,1380 0.198,1381 12.984,1382 7.921,1383 9.35,1384 0.183,1385 0.114,1386 10.665,1387 5.82,1388 7.406,1389 0.116,1390 0.064,1391 8.647,1392 4.105,1393 6.013,1394 0.073,1395 0.037,1396 7.249,1397 3.071,1398 0.393,1399 84.518,1400 0.235,1401 24.478,1402 0.783,1403 136,1404 395.439,1405 186.073,1406 411.332,1407 555.36,1408 376,1409 159,1410 379.613,1411 218.725,1412 427.323,1413 619.92,1414 399,1415 5.602}
{0 CHEMBL189875,1 1.479,2 12.848,3 5.85,4 34.223,5 131.526,6 7.578,7 0.639,8 4.153,9 4.255,10 3.744,11 3.704,12 5.313,13 3.693,14 4.63,15 4.783,16 4.034,17 4.033,18 5.722,19 4.014,20 4.758,21 4.923,22 4.065,23 4.134,24 5.84,25 4.086,26 4.827,27 5.027,28 3.922,29 4.132,30 5.833,31 4.036,32 4.844,33 5.097,34 3.865,35 4.12,36 5.738,37 3.992,38 4.726,39 4.948,40 3.941,41 4.058,42 5.688,43 3.977,44 4.717,45 4.911,46 3.961,47 4.042,48 5.772,49 3.992,50 4.745,51 4.954,52 3.938,53 4.072,54 5.743,55 3.997,56 0.001,57 0.779,58 11.112,59 5.241,60 10.358,61 6.482,62 0.24,63 1.21,64 20.851,65 8.019,66 27.505,67 9.817,68 0.192,69 1.407,70 23.346,71 9.228,72 28.972,73 11.767,74 0.29,75 1.516,76 26.171,77 10.131,78 35.574,79 13.419,80 0.339,81 1.489,82 28.558,83 11.498,84 36.169,85 16.415,86 0.089,87 1.352,88 24.002,89 9.839,90 23.423,91 13.704,92 0.263,93 1.406,94 23.253,95 7.979,96 32.244,97 10.586,98 0.167,99 1.398,100 24.125,101 9.283,102 28.21,103 12.619,104 19,105 48,106 0.238,107 0.499,108 0.594,109 0.658,110 0.681,111 0.689,112 3.532,113 0.867,114 -3.63,115 -3.6,116 -3.43,121 46.6,126 3,144 12,145 2,146 6,153 2,157 2,176 7,180 16,187 6,192 14,200 6,205 2,214 8,218 4,227 12,232 8,239 4,244 16,256 6,264 8,268 4,277 20,281 2390,282 22.936,283 22.936,284 22.936,285 22.936,286 22.936,287 20.023,288 32.968,289 13.55,290 23.681,291 17.573,292 17.573,293 17.573,294 17.573,295 17.573,296 12.984,297 37.287,298 6.23,299 18.502,300 4.379,301 2.755,302 2.161,303 1.764,304 1.621,305 1.574,306 4.23,312 1,313 905,314 3.391,317 103.252,318 362.914,325 1.871,326 17.201,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 70.5,338 424,339 4.443,340 3.155,341 6.372,342 4.021,343 3.058,344 4.156,345 0.86,346 9.883,347 2.951,348 4.082,349 2.908,350 5.908,351 3.649,352 2.683,353 3.687,354 0.86,355 8.261,356 2.589,357 4.057,358 2.893,359 5.483,360 3.614,361 2.65,362 3.669,363 0.86,364 7.345,365 2.552,366 3.994,367 2.832,368 5.474,369 3.569,370 2.6,371 3.583,372 0.6,373 7.314,374 2.517,375 3.64,376 2.643,377 5.287,378 3.24,379 2.308,380 2.987,381 0.6,382 6.721,383 2.142,384 3.558,385 2.584,386 5.115,387 3.135,388 2.202,389 2.872,391 6.291,392 2.047,393 3.481,394 2.407,395 5.1,396 3.088,397 2.148,398 2.784,400 6.243,401 2.008,402 2.958,403 1.762,404 4.411,405 2.504,406 1.527,407 2.051,409 4.299,410 1.488,411 2.814,412 1.54,413 4.282,414 2.295,415 1.354,416 1.92,418 3.829,419 1.268,420 2.5,421 1.269,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1.138,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.5,439 1.013,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.336,448 1,449 3.226,450 1.659,451 0.754,452 1.063,454 1.615,455 0.677,456 2.217,457 1,458 3.222,459 1.609,460 0.698,461 0.961,463 1.546,464 0.63,465 1.66,466 1,467 2.805,468 1.359,469 0.493,470 0.555,472 0.757,473 0.423,474 15.7,475 0.476,476 0.58,477 0.018,478 48.75,479 1.477,480 27.5,481 0.833,482 21.25,483 0.644,484 22.61,485 0.685,486 34.1,487 0.588,488 38.143,489 1.156,490 10.16,491 0.308,492 6.018,493 0.182,494 0.096,496 0.28,501 0.877,502 1.307,503 0.756,504 1.118,505 0.855,506 0.953,507 1.519,508 0.986,509 0.93,510 0.801,511 1.18,512 0.783,513 1.194,514 1.221,515 1.062,516 1.069,517 1.026,518 1.045,519 0.991,520 1.104,521 1.207,522 1.111,523 1.245,524 1.17,525 0.251,526 0.834,527 0.788,528 0.884,529 0.574,530 0.91,531 0.473,532 1.163,533 0.714,534 0.982,535 0.445,536 0.899,537 1.236,538 1.092,539 1.117,540 0.906,541 1.26,542 0.95,543 0.812,544 1.056,545 0.961,546 0.993,547 0.92,548 0.979,549 6.5,550 0.23,551 3.333,552 1.042,553 1.607,554 1.097,555 0.408,556 0.496,557 0.404,558 0.203,559 16247,560 43461,561 2.097,562 43.1,564 21,565 2,566 2,572 1.757,573 2,574 3.646,575 -0.811,582 85.775,583 1.479,584 3.103,585 3.697,586 4.094,587 4.237,588 4.284,589 3.075,590 3.953,591 5.007,592 3.845,593 2030.42,594 8.802,595 32011.5,600 339.763,601 1.241,602 4.992,603 0.181,604 0.006,605 0.069,606 0.022,607 0.04,608 0.028,609 0.009,610 0.012,611 0.01,612 0.005,613 0.381,614 0.5,615 1,616 0.782,617 177.205,619 -0.229,620 0.072,621 -0.127,622 -0.043,623 -0.036,624 -0.219,625 0.068,626 0.013,627 0.16,628 -0.097,629 0.126,630 -0.16,631 -0.155,632 -0.142,633 -0.11,634 -0.05,635 -0.123,636 -0.123,637 -0.046,638 -0.269,639 -0.154,640 -0.311,641 -0.222,642 0.244,643 0.143,644 0.173,645 0.119,646 0.169,647 0.129,648 0.093,649 -0.161,650 0.22,651 0.013,652 0.281,653 0.111,654 -0.231,655 0.053,656 -0.171,657 0.004,658 -0.256,659 -0.053,660 -0.061,661 0.006,662 -0.025,663 -0.032,664 -0.053,665 -0.017,666 0.869,667 1.773,668 0.697,669 41.372,670 1,671 1.115,672 2.397,673 5.745,674 0.685,675 3.611,676 3.892,677 4.143,678 4.331,679 4.564,680 4.644,681 4.718,682 4.852,683 5.069,684 5.159,685 7.891,686 0.655,687 439.55,688 3.611,689 5.13,690 5.964,691 6.812,692 7.662,693 8.517,694 9.373,695 10.232,696 11.093,697 11.957,698 5.2,706 1,707 2,715 14,720 8,721 1,722 23,725 2,739 3,741 58,743 25,744 3,745 36,747 61,748 27,749 22,750 6,751 12,752 2,756 4,757 4,772 24,773 3,777 2,784 2,785 2,793 25,794 5,796 6,802 3,808 1,809 3,824 1,828 1,829 3,859 4,864 3,868 33,878 3,893 5.2,898 3,901 16.5,902 11.433,903 7.556,904 3.104,907 4.215,908 1.544,909 0.98,910 7.355,911 11.962,912 3.922,913 4.508,914 5.116,915 5.667,916 6.209,917 6.521,918 6.924,919 7.374,920 7.903,921 8.325,922 0.889,923 48,924 12.069,926 4.885,927 0.026,929 7.616,931 23.097,933 17.998,936 2.116,937 69.833,941 294.278,942 212.925,943 35.47,945 33,948 212.925,949 327.277,950 35.47,951 32.649,953 131.81,954 41.637,955 98.841,956 23.542,957 247.193,959 294.278,960 248.396,961 33,964 294.278,965 33,968 35.47,969 194.831,970 18.095,972 294.278,973 68.47,974 212.925,977 294.278,978 30.372,979 184.453,981 66.571,982 294.278,983 68.47,984 212.925,986 0.567,987 0.336,988 0.167,989 0.092,990 21,991 9,992 0.131,993 8,995 1,996 4.539,997 291.257,999 23,1000 130.465,1005 22.529,1006 10.773,1007 5.776,1009 66.571,1010 27.182,1015 6.987,1016 2.046,1018 575.673,1019 49.5,1026 3.689,1027 9.265,1031 58.007,1032 64.69,1034 0.252,1035 0.53,1036 0.631,1037 0.699,1038 0.723,1039 0.731,1040 5.122,1041 1.527,1042 5.916,1043 6.243,1044 4.575,1045 5.196,1046 1.928,1047 6.661,1048 4.483,1049 6.32,1050 1.354,1051 7.434,1052 4.299,1053 4.007,1054 4.808,1056 7.424,1057 3.871,1058 7.607,1059 1,1060 9.043,1061 3.829,1062 6.116,1063 7.374,1064 1.569,1065 10.439,1066 5.947,1067 8.93,1068 1,1069 10.706,1070 2.275,1071 6.382,1072 7.825,1074 12.015,1075 6.16,1076 10.282,1077 1,1078 12.402,1079 2.275,1080 7.899,1081 9.791,1082 1.285,1083 14.526,1084 7.661,1085 11.654,1086 0.754,1087 14.122,1088 2.275,1089 8.553,1090 10.646,1092 16.461,1093 8.263,1094 13.041,1095 0.698,1096 15.858,1097 1.615,1098 9.82,1099 12.337,1100 1.052,1101 18.805,1102 9.515,1103 3.058,1104 0.493,1105 17.608,1106 1.546,1107 10.675,1108 13.418,1110 20.914,1111 10.322,1112 2.683,1113 9.883,1114 19.368,1115 0.757,1116 11.832,1117 14.967,1118 0.855,1119 23.203,1120 11.46,1121 2.65,1122 8.261,1123 21.138,1124 4.156,1125 12.795,1126 16.179,1128 25.4,1129 12.379,1130 2.6,1131 7.345,1132 22.916,1133 3.687,1134 13.904,1135 17.653,1136 0.689,1137 27.675,1138 13.466,1139 2.308,1140 7.314,1141 24.701,1142 3.669,1143 14.926,1144 18.943,1146 29.914,1147 14.447,1148 2.202,1149 6.721,1150 26.493,1151 3.583,1152 16.019,1153 20.379,1154 0.548,1155 32.19,1156 15.513,1157 2.148,1158 6.291,1159 28.291,1160 2.987,1161 17.075,1162 21.715,1164 34.452,1165 16.53,1166 15585,1167 25628,1168 24.444,1169 39.756,1170 53.306,1171 53.935,1172 54.025,1173 52.37,1174 52.482,1175 71.506,1176 7.56,1177 144.419,1178 49.938,1179 5.115,1180 5.155,1181 5.926,1182 5.057,1183 5.058,1184 7.156,1185 1.72,1186 16.485,1187 4.951,1188 14.303,1189 1.481,1190 1.498,1191 1.501,1192 1.455,1193 1.458,1194 1.986,1195 0.21,1196 4.012,1197 1.387,1198 4.075,1199 4.112,1200 4.035,1201 3.967,1202 5.006,1203 3.979,1204 3.902,1205 3.928,1206 3.848,1207 3.82,1208 4.899,1209 3.822,1210 3.895,1211 3.921,1212 3.841,1213 3.814,1214 4.874,1215 3.817,1216 3.77,1217 3.795,1218 3.713,1219 3.688,1220 4.758,1221 3.691,1222 3.316,1223 3.371,1224 3.22,1225 3.073,1226 4.572,1227 3.1,1228 3.304,1229 3.36,1230 3.199,1231 3.041,1232 4.494,1233 3.07,1234 3.232,1235 3.3,1236 3.051,1237 2.959,1238 4.295,1239 2.968,1240 3.095,1241 3.178,1242 2.911,1243 2.862,1244 4.142,1245 2.858,1246 0.123,1247 0.088,1248 0.177,1249 0.112,1250 0.085,1251 4.443,1252 0.115,1253 3.155,1254 0.024,1255 6.372,1256 0.275,1257 4.021,1258 0.082,1259 3.058,1260 4.156,1261 0.86,1262 9.883,1263 2.951,1264 1.904,1265 1.878,1266 2.003,1267 2.021,1268 1.097,1269 2.016,1270 1.894,1271 1.869,1272 1.993,1273 2.001,1274 1.06,1275 1.999,1276 1.876,1277 1.853,1278 1.981,1279 1.981,1280 1.05,1281 1.982,1282 1.617,1283 1.593,1284 1.714,1285 1.723,1286 0.839,1287 1.721,1288 1.414,1289 1.362,1290 1.598,1291 1.648,1292 0.629,1293 1.63,1294 1.219,1295 1.155,1296 1.571,1297 1.531,1298 0.574,1299 1.54,1300 1.191,1301 1.119,1302 1.563,1303 1.493,1304 0.572,1305 1.516,1306 1.156,1307 1.073,1308 1.495,1309 1.444,1310 0.545,1311 1.471,1312 4.29,1314 5.58,1315 2.398,1316 7.06,1317 4.727,1318 8.618,1319 6.823,1320 10.213,1322 4.954,1330 15.711,1340 38.003,1341 85.775,1342 179.949,1343 214.44,1344 237.459,1345 245.724,1346 248.479,1347 43.046,1348 7.747,1349 57.34,1350 57.34,1351 23,1352 12.506,1353 4.7,1354 3.858,1355 54.094,1356 148,1357 174,1358 0.167,1359 234.506,1360 407.67,1361 563.953,1362 24728,1364 23.045,1365 0.698,1366 0.57,1367 23.045,1368 18.804,1369 16.178,1370 0.449,1371 0.289,1372 10.227,1373 15.475,1374 9.885,1375 8.312,1376 16.178,1377 10.41,1378 13.685,1379 0.285,1380 0.15,1381 13.685,1382 7.187,1383 11.992,1384 0.193,1385 0.082,1386 11.992,1387 5.11,1388 9.175,1389 0.122,1390 0.043,1391 9.175,1392 3.23,1393 7.382,1394 0.078,1395 0.022,1396 7.382,1397 2.098,1398 0.265,1399 101.895,1400 0.202,1401 31.086,1402 0.451,1403 168,1404 504.142,1405 182.492,1406 483.657,1407 669.68,1408 458,1409 194,1410 494.087,1411 208.801,1412 507.21,1413 726.4,1414 472,1415 4.854}
{0 CHEMBL189886,1 1.296,2 7,3 3.12,4 9.734,5 62.073,6 8.086,7 0.706,8 3.335,9 3.418,10 2.971,11 3.031,12 4.585,13 2.999,14 3.765,15 3.871,16 3.259,17 3.348,18 5.014,19 3.301,20 4.015,21 4.18,22 3.327,23 3.375,24 5.459,25 3.321,26 3.925,27 4.093,28 3.164,29 3.15,30 5.371,31 3.125,32 3.736,33 3.868,34 3.033,35 2.97,36 5.287,37 2.981,38 3.536,39 3.666,40 2.742,41 2.906,42 4.91,43 2.848,44 3.466,45 3.676,46 2.376,47 2.82,48 4.458,49 2.667,50 3.302,51 3.583,52 1.857,53 2.506,54 4.043,55 2.279,56 0.004,57 0.267,58 3.957,59 2.276,60 3.653,61 2.727,62 0.007,63 0.424,64 6.632,65 3.61,66 7.843,67 4.335,68 0.145,69 0.573,70 10.724,71 4.894,72 39.755,73 6.083,74 0.119,75 0.522,76 10.585,77 4.37,78 31.651,79 4.874,80 0.18,81 0.416,82 8.778,83 3.361,84 46.265,85 3.099,86 0.123,87 0.34,88 6.522,89 2.804,90 31.316,91 2.839,92 0.058,93 0.342,94 6.484,95 2.978,96 14.519,97 3.877,98 0.033,99 0.308,100 6.284,101 2.754,102 7.989,103 3.968,104 5,105 22,106 0.253,107 0.373,108 0.446,109 0.56,110 0.601,111 0.601,112 2.853,113 0.879,114 -4.12,115 -4.07,116 -3.85,121 53.8,144 10,145 2,159 2,176 12,180 2,187 12,191 1,192 6,200 7,206 8,214 4,219 6,227 8,232 2,239 10,251 8,264 4,277 1,281 256,282 10.88,283 10.88,284 10.88,285 10.88,286 10.88,287 9.258,288 1.747,289 6.695,290 10.833,291 8.369,292 8.369,293 8.369,294 8.369,295 8.369,296 5.959,297 0.589,298 3.173,299 8.256,300 3.405,301 2.786,302 2.413,303 1.827,304 1.615,305 1.615,306 3.503,311 1,312 1,313 234,314 2.646,318 107.525,325 1,326 19.182,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 34,338 112,339 4.381,340 3.836,341 6.525,342 4.07,343 3.035,344 3.909,346 10.021,347 3.134,348 3.918,349 2.983,350 5.7,351 3.507,352 2.499,353 3.486,355 7.565,356 2.518,357 3.386,358 2.187,359 4.597,360 2.902,361 1.882,362 2.746,364 4.575,365 1.916,366 2.977,367 2.135,368 3.761,369 2.508,370 1.496,371 2.158,373 3.19,374 1.512,375 2.612,376 1.323,377 3.478,378 2.114,379 1.093,380 1.618,382 2.564,383 1.112,384 2.5,385 1.323,386 3.247,387 2,388 1,389 1.5,391 2.136,392 1,393 2.5,394 1,395 3.247,396 2,397 1,398 1.5,400 2.136,401 1,402 2.204,403 1,404 3,405 1.539,406 0.425,407 0.71,409 0.965,410 0.469,411 0.754,412 -0.125,413 2.153,414 0.281,415 -0.743,416 -1.047,418 -1.602,419 -0.755,420 0.746,421 -0.536,422 1.555,423 0.28,424 -0.757,425 -1.145,427 -1.615,428 -0.784,429 0.5,430 -0.903,431 1.555,433 -1,434 -1.5,436 -2.347,437 -1,438 0.5,439 -1,440 1.539,442 -1,443 -1.5,445 -2.347,446 -1,447 0.184,448 -1,449 1.247,450 -0.248,451 -1.348,452 -2,454 -3.437,455 -1.488,456 -0.345,457 -1.505,458 1,459 -0.634,460 -1.662,461 -2.208,463 -4.789,464 -1.714,465 -0.5,466 -1.919,467 1,468 -0.919,469 -1.919,470 -2.227,472 -4.789,473 -1.92,474 7.667,475 0.479,476 0.298,477 0.019,478 24,479 1.5,480 15,481 0.938,482 9,483 0.563,484 7.435,485 0.465,486 15.733,487 0.605,488 15.362,489 0.96,490 5.085,491 0.318,492 2.703,493 0.169,494 0.087,496 0.261,501 0.463,502 0.86,503 0.683,504 0.858,505 0.516,506 0.817,507 0.596,508 1.105,509 0.878,510 1.104,511 0.653,512 1.051,513 0.676,514 1.075,515 0.825,516 1.065,517 0.681,518 0.988,519 1.589,520 1.05,521 0.992,522 1.014,523 1.542,524 0.924,525 2.475,526 0.818,527 1.213,528 0.78,529 2.414,530 0.784,531 1.817,532 0.967,533 1.427,534 0.98,535 1.791,536 1.108,537 0.564,538 1.085,539 1.22,540 1.13,541 0.575,542 1.255,543 0.098,544 1.102,545 1.027,546 1.146,547 0.118,548 1.224,549 2,551 1.778,552 1.125,553 0.702,554 0.361,555 0.082,556 0.049,557 0.032,559 1909,560 5593,561 2.03,562 38.5,564 10,572 1.552,573 1.92,574 2.869,575 -0.856,579 1,582 33.689,583 1.296,584 1.914,585 2.288,586 2.873,587 3.085,588 3.085,589 2.25,590 2.156,591 3.975,592 2.909,593 349.047,594 6.695,595 2999.48,597 1,600 122.211,601 1.299,602 3.94,603 0.118,605 0.081,606 0.051,607 0.039,608 0.023,609 0.007,610 0.006,611 0.008,613 0.332,614 1,615 1,616 0.625,617 64.124,619 0.032,620 0.018,621 0.032,622 -0.05,623 0.028,625 -0.204,626 -0.113,627 -0.203,628 -0.055,629 -0.182,630 0.26,631 -0.124,632 0.122,633 -0.113,634 0.257,635 -0.036,636 -0.117,637 -0.073,638 0.051,639 -0.054,640 -0.07,641 0.011,642 -0.406,643 0.173,644 -0.15,645 0.163,646 -0.347,647 0.071,648 -0.387,649 -0.011,650 -0.491,651 -0.052,652 -0.364,653 -0.244,654 -0.071,655 -0.128,656 -0.278,657 -0.15,658 -0.084,659 -0.23,660 0.122,661 -0.116,662 0.02,663 -0.111,664 0.099,665 -0.072,666 2.133,667 4.796,668 0.75,669 8.5,670 1.003,671 1.096,672 2.892,673 8.365,674 0.72,675 2.89,676 3.135,677 3.367,678 3.497,679 3.611,680 3.367,681 3.367,682 3.219,683 3.045,684 2.833,685 4.235,686 0.695,687 210.24,688 2.89,689 4.369,690 5.187,691 6.019,692 6.853,693 7.692,694 8.532,695 9.374,696 10.216,697 11.06,715 10,720 2,722 12,727 2,741 26,743 14,744 2,745 17,747 27,748 14,749 12,750 2,751 10,752 2,756 2,757 2,772 14,777 2,782 2,786 2,790 1,793 10,794 2,796 2,808 1,809 2,829 2,859 2,868 16,893 7.7,896 2,901 8.333,902 4.667,903 3.667,904 1.493,907 2.106,908 1.371,909 0.973,910 2.927,911 7.783,912 3.258,913 3.784,914 4.35,915 4.79,916 5.241,917 5.073,918 5.364,919 5.364,920 5.433,921 5.614,922 0.8,923 22,924 5.917,926 2.5,927 0.026,929 8.042,931 10.925,933 8.576,936 2.542,937 40.667,938 0.002,941 117.711,942 111.401,945 50.29,948 111.401,949 168.001,953 94.762,954 60.557,955 6.371,957 117.711,959 117.711,960 111.401,961 50.29,964 117.711,965 50.29,969 111.401,972 117.711,973 50.29,974 111.401,977 117.711,978 16.638,979 94.762,981 50.29,982 117.711,983 50.29,984 111.401,986 0.564,987 0.336,988 0.173,989 0.088,990 10,991 4,992 0.111,993 3,995 1,996 2.86,997 102.479,999 12,1000 40,1005 10.315,1006 4.541,1007 2.256,1009 50.29,1010 17.153,1015 0.854,1018 279.401,1019 25,1024 23.591,1028 -0.932,1031 26.073,1032 28.495,1034 0.276,1035 0.407,1036 0.487,1037 0.611,1038 0.656,1039 0.656,1040 4.419,1041 0.425,1042 5.13,1043 2.136,1044 3.807,1045 4.466,1047 5.878,1048 3.842,1049 5.6,1050 -0.743,1051 6.655,1052 0.965,1053 3.219,1054 3.951,1056 6.706,1057 3.311,1058 6.872,1059 -0.757,1060 8.296,1061 -1.602,1062 5.323,1063 6.576,1065 9.826,1066 5.402,1067 8.185,1068 -1,1069 10.008,1070 -1.615,1071 5.638,1072 6.922,1074 11.522,1075 5.791,1076 9.534,1077 -1,1078 11.766,1079 -2.347,1080 7.165,1081 8.952,1083 14.141,1084 7.304,1085 10.909,1086 -1.348,1087 13.553,1088 -2.347,1089 7.897,1090 9.718,1092 16.164,1093 8.107,1094 12.304,1095 -1.662,1096 15.362,1097 -3.437,1098 9.178,1099 11.459,1101 18.605,1102 9.388,1103 3.035,1104 -1.919,1105 17.184,1106 -4.789,1107 10.107,1108 12.456,1110 20.771,1111 10.377,1112 2.499,1113 10.021,1114 19.017,1115 -4.789,1116 11.282,1117 14.039,1119 23.138,1120 11.566,1121 1.882,1122 7.565,1123 20.857,1124 3.909,1125 12.304,1126 15.173,1128 25.372,1129 12.638,1130 1.496,1131 4.575,1132 22.703,1133 3.486,1134 13.435,1135 16.664,1137 27.706,1138 13.793,1139 1.093,1140 3.19,1141 24.553,1142 2.746,1143 14.501,1144 17.882,1146 29.974,1147 14.902,1148 1,1149 2.564,1150 26.407,1151 2.158,1152 15.616,1153 19.317,1155 32.293,1156 16.045,1157 1,1158 2.136,1159 28.264,1160 1.618,1161 16.703,1162 20.587,1164 34.578,1165 17.171,1166 1941,1167 3396,1168 11.326,1169 18.716,1170 25.428,1171 27.057,1172 25.698,1173 24.904,1174 24.86,1175 35.255,1177 66.301,1178 25.322,1179 5.197,1180 5.836,1181 6.327,1182 5.07,1183 5.035,1184 6.909,1186 17.141,1187 5.134,1188 5.991,1189 1.496,1190 1.592,1191 1.512,1192 1.465,1193 1.462,1194 2.074,1196 3.9,1197 1.49,1198 3.976,1199 3.993,1200 3.928,1201 3.907,1202 7.497,1203 3.908,1204 3.849,1205 3.879,1206 3.778,1207 3.795,1208 7.352,1209 3.787,1210 3.392,1211 3.389,1212 3.347,1213 3.221,1214 4.74,1215 3.249,1216 2.877,1217 2.925,1218 2.792,1219 2.752,1220 4.708,1221 2.751,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.674,1227 2.715,1228 2.854,1229 2.909,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 2.547,1235 2.598,1236 2.411,1237 2.35,1238 3.623,1239 2.362,1240 2.254,1241 2.227,1242 2.182,1243 1.775,1244 3.531,1245 1.883,1246 0.258,1247 0.226,1248 0.384,1249 0.239,1250 0.179,1251 4.381,1252 0.23,1253 3.836,1255 6.525,1256 0.589,1257 4.07,1258 0.184,1259 3.035,1260 3.909,1262 10.021,1263 3.134,1264 1.942,1265 1.925,1266 2.045,1267 2.029,1268 1.107,1269 2.033,1270 1.861,1271 1.834,1272 1.989,1273 1.94,1274 1.045,1275 1.958,1276 1.293,1277 1.292,1278 1.383,1279 1.494,1280 0.375,1281 1.453,1282 0.886,1283 0.821,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.857,1295 0.819,1296 1.081,1297 1.024,1298 0.163,1299 1.038,1300 0.503,1301 0.458,1302 0.782,1303 0.763,1305 0.778,1308 0.381,1309 0.467,1311 0.357,1312 3.555,1314 4.812,1316 6.29,1318 7.852,1320 9.454,1340 18.064,1341 33.689,1342 49.773,1343 59.482,1344 74.702,1345 80.211,1346 80.211,1347 28.412,1348 5.677,1349 34.14,1350 34.14,1351 12,1352 11.623,1353 3.907,1354 3.17,1355 25.898,1356 40,1357 34,1358 0.328,1359 114.85,1360 200.7,1361 271.993,1362 1629,1364 11.38,1365 0.711,1366 0.537,1367 11.38,1368 8.59,1369 7.788,1370 0.458,1371 0.293,1372 4.952,1373 7.661,1374 4.837,1375 4.047,1376 7.788,1377 4.98,1378 6.514,1379 0.296,1380 0.154,1381 6.514,1382 3.39,1383 5.616,1384 0.201,1385 0.081,1386 5.616,1387 2.278,1388 4.179,1389 0.131,1390 0.045,1391 4.179,1392 1.441,1393 3.131,1394 0.087,1395 0.025,1396 3.131,1397 0.906,1398 0.493,1399 47.881,1400 0.297,1401 16.153,1402 0.954,1403 78,1404 249.471,1405 82.207,1406 244.279,1407 322.76,1408 226,1409 89,1410 223.273,1411 93.761,1412 229.394,1413 331.4,1414 216,1415 4}
{0 CHEMBL189906,1 1.558,2 7.158,3 1.598,4 2.553,5 71.021,6 7.09,7 0.286,8 3.727,9 3.841,10 3.259,11 3.183,12 4.761,13 3.18,14 4.318,15 4.499,16 3.637,17 3.603,18 5.351,19 3.577,20 4.551,21 4.743,22 3.705,23 3.772,24 5.5,25 3.71,26 4.649,27 4.871,28 3.628,29 3.735,30 5.592,31 3.663,32 4.498,33 4.71,34 3.472,35 3.62,36 5.525,37 3.525,38 4.398,39 4.644,40 3.217,41 3.415,42 5.329,43 3.302,44 4.196,45 4.445,46 2.787,47 3.098,48 5.171,49 2.972,50 3.834,51 4.113,52 2.552,53 2.806,54 4.755,55 2.658,56 0.034,57 0.532,58 8.363,59 3.396,60 5.297,61 4.575,62 0.395,63 0.855,64 16.859,65 5.555,66 30.477,67 7.831,68 0.318,69 1.014,70 21.343,71 7.71,72 28.027,73 10.63,74 0.465,75 1.018,76 24.855,77 7.826,78 40.223,79 10.957,80 0.481,81 0.901,82 21.031,83 6.998,84 40.45,85 9.844,86 0.265,87 0.774,88 19.299,89 6.086,90 29.769,91 8.869,92 0.477,93 0.584,94 16.674,95 4.368,96 41.124,97 6.282,98 0.12,99 0.445,100 10.926,101 3.242,102 16.703,103 5.14,104 13,105 30,106 0.287,107 0.627,108 0.829,109 0.883,110 0.883,111 0.883,112 3.012,113 0.937,114 -2.44,115 -2.47,116 -2.42,121 37.8,123 1,124 1,126 2,127 2,129 1,144 3,145 1,146 2,161 1,176 4,179 1,180 6,183 2,187 3,191 1,192 6,200 3,205 1,206 4,211 1,214 2,218 2,219 4,222 1,224 2,227 2,232 2,237 1,239 1,243 1,244 1,247 1,249 1,256 1,261 1,281 378,282 12.939,283 12.939,284 12.939,285 12.939,286 12.939,287 12.057,288 18.873,289 7.486,290 13.334,291 10.287,292 10.287,293 10.287,294 10.287,295 10.287,296 8.846,297 23.707,298 3.447,299 10.867,300 3.652,301 1.806,302 0.71,303 0.419,304 0.419,305 0.419,306 3.689,310 1,311 1,312 1,313 292,314 2.828,317 31.001,318 67.422,321 51.565,322 58.019,325 1.13,326 17.953,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 42,338 136,339 4.496,340 3.693,341 6.945,342 4.24,343 3.277,344 4.082,345 2.186,346 11.722,347 3.158,348 3.947,349 3.535,350 6.238,351 3.715,352 2.773,353 3.103,354 0.916,355 9.24,356 2.608,357 3.586,358 2.977,359 5.274,360 3.235,361 2.284,362 2.749,363 0.86,364 6.434,365 2.146,366 3.134,367 2.263,368 4.984,369 2.879,370 1.929,371 2.289,372 0.366,373 5.574,374 1.829,375 2.976,376 2.168,377 4.797,378 2.744,379 1.789,380 2.107,381 0.172,382 5.026,383 1.692,384 2.81,385 1.802,386 4.214,387 2.447,388 1.486,389 1.844,391 3.698,392 1.422,393 2.128,394 1.323,395 3.763,396 1.966,397 1.029,398 1.105,400 2.608,401 0.957,402 1.851,403 1.1,404 3.312,405 1.718,406 0.781,407 0.822,409 1.829,410 0.726,411 1.507,412 0.979,413 2.907,414 1.298,415 0.383,416 0.409,418 0.587,419 0.346,420 1.243,421 0.661,422 2.516,423 0.85,424 -0.113,425 -0.139,427 -0.248,428 -0.106,429 0.776,430 -0.009,431 2.364,432 0.522,433 -0.42,434 -0.451,436 -1.024,437 -0.393,438 0.648,439 -0.103,440 2.266,441 0.354,442 -0.604,443 -0.729,445 -1.624,446 -0.571,447 0.406,448 -0.502,449 2,450 0.03,451 -0.952,452 -1.12,454 -2.36,455 -0.92,456 -0.037,457 -0.818,458 1.836,459 -0.193,460 -1.142,461 -1.35,463 -3.042,464 -1.081,465 -0.197,466 -0.973,467 1.595,468 -0.445,469 -1.408,470 -1.721,472 -3.256,473 -1.371,474 8.8,475 0.463,476 0.469,477 0.025,478 21.5,479 1.132,480 8.5,481 0.447,482 13,483 0.684,484 15.292,485 0.805,486 21.8,487 0.589,488 14.464,489 0.761,490 4.271,491 0.225,492 4.932,493 0.26,494 0.152,496 0.386,501 0.822,502 1.536,503 0.802,504 1.294,505 0.593,506 1.074,507 0.86,508 0.888,509 0.874,510 0.857,511 0.496,512 0.847,513 0.879,514 1.168,515 0.936,516 1.175,517 0.659,518 1.085,519 1.251,520 0.955,521 1.01,522 0.948,523 1.045,524 0.941,525 0.948,526 1.065,527 1.073,528 1.111,529 0.861,530 1.127,531 1.02,532 1.175,533 1.017,534 1.167,535 0.991,536 1.108,537 1.656,538 0.735,539 1.364,540 0.807,541 1.855,542 1.005,543 0.669,544 1.309,545 0.926,546 1.206,547 1.212,548 1.126,549 3.5,551 2.444,552 1.535,553 1.098,554 0.583,555 0.342,556 0.246,557 0.108,558 0.025,559 2910,560 7370,561 2.081,562 48.6,564 14,567 1,569 2,570 1,572 1.608,573 1.932,574 2.848,575 -0.249,577 1,578 1,579 1,582 57.633,583 1.558,584 3.404,585 4.5,586 4.79,587 4.79,588 4.79,589 2.268,590 4.143,591 4.219,592 2.955,593 505.318,594 7.212,595 4788.83,596 1,597 1,599 1,600 192.75,601 1.462,602 4.171,603 0.167,605 0.081,606 0.05,607 0.039,608 0.025,609 0.02,610 0.025,611 0.013,612 0.008,613 0.429,614 0.83,615 1,616 1.315,617 80.313,618 -0.04,619 -0.264,620 0.074,621 -0.136,622 -0.017,623 -0.025,624 0.125,625 0.267,626 0.078,627 0.164,628 0.176,629 0.128,630 0.04,631 -0.123,633 -0.118,634 0.062,635 -0.072,636 -0.118,637 -0.003,638 -0.017,639 0.03,640 -0.073,641 0.025,642 0.082,643 -0.079,644 -0.106,645 -0.106,646 0.052,647 -0.145,648 -0.069,649 -0.253,650 -0.044,651 -0.2,652 -0.052,653 -0.131,654 -0.263,655 0.151,656 -0.309,657 0.063,658 -0.317,659 -0.114,660 0.032,661 -0.385,662 0.026,663 -0.276,664 0.024,665 -0.15,666 2.14,667 4.36,668 0.684,669 11.657,670 1.007,671 1.134,672 1.207,673 1.456,674 0.634,675 3.091,676 3.434,677 3.761,678 4.078,679 4.304,680 4.394,681 4.533,682 4.673,683 4.625,684 4.454,685 4.393,686 0.605,687 262.34,688 3.091,689 4.635,690 5.509,691 6.412,692 7.31,693 8.221,694 9.128,695 10.043,696 10.953,697 11.87,698 5.4,701 1,705 1,715 3,720 3,722 6,737 1,739 1,741 37,743 7,744 1,745 21,747 39,748 14,749 6,750 3,751 3,756 3,757 6,767 2,768 1,770 2,772 7,773 7,774 1,777 1,782 1,786 1,789 1,790 1,793 18,794 5,795 1,796 5,802 2,808 0.333,809 3,825 1,828 1,829 2,832 1,833 1,855 1,859 1,864 2,868 19,876 3,877 1,878 2,880 2,881 1,893 8.1,896 1,898 2,901 9.833,902 7.117,903 4.222,904 2.221,907 1.375,908 1.202,909 0.948,910 3.372,911 8.19,912 3.258,913 3.773,914 4.273,915 4.799,916 5.277,917 5.47,918 5.751,919 6.042,920 6.106,921 6.04,922 0.8,923 31,924 7.042,926 2.999,927 0.026,929 7.728,931 13.602,933 11.395,936 2.228,937 42.333,938 0.001,941 200.109,942 74.889,943 21.135,945 47.145,948 74.889,949 247.253,950 21.135,951 16.793,952 27.243,953 28.429,954 25.145,955 38.797,956 6.763,957 200.109,959 200.109,960 96.024,961 47.145,964 164.795,965 82.458,968 30.368,969 65.656,972 200.109,973 68.28,974 74.889,977 200.109,978 29.668,979 48.346,980 18.011,981 47.145,982 200.109,983 68.28,984 74.889,986 0.582,987 0.355,988 0.196,989 0.108,990 16,991 7,992 0.051,993 2,994 2,995 1.308,996 3.058,997 146.534,998 0.308,999 13,1000 80.711,1005 12.758,1006 5.021,1007 2.191,1009 68.28,1010 5.739,1015 2.328,1017 18.011,1018 343.278,1019 25,1024 11.36,1028 -0.473,1031 37.254,1032 41.946,1034 0.299,1035 0.653,1036 0.864,1037 0.92,1038 0.92,1039 0.92,1040 4.527,1041 0.781,1042 5.509,1043 2.608,1044 4.111,1045 4.454,1046 2.527,1047 6.375,1048 4.007,1049 5.698,1050 0.383,1051 7.101,1052 1.829,1053 3.761,1054 4.27,1055 1.847,1056 7.405,1057 3.626,1058 7.001,1059 -0.113,1060 8.796,1061 0.587,1062 5.746,1063 6.506,1064 3.551,1065 10.554,1066 5.551,1067 8.337,1068 -0.42,1069 10.553,1070 -0.248,1071 6.236,1072 7.142,1073 3.603,1074 12.445,1075 6.01,1076 9.708,1077 -0.604,1078 12.351,1079 -1.024,1080 7.7,1081 8.903,1082 4.916,1083 15.124,1084 7.428,1085 11.103,1086 -0.952,1087 14.178,1088 -1.624,1089 8.574,1090 9.923,1091 5.291,1092 17.354,1093 8.269,1094 12.517,1095 -1.142,1096 16.027,1097 -2.36,1098 9.845,1099 11.498,1100 6.389,1101 19.881,1102 9.502,1103 3.277,1104 -1.408,1105 17.892,1106 -3.042,1107 10.89,1108 12.705,1109 6.93,1110 22.245,1111 10.513,1112 2.773,1113 11.722,1114 19.77,1115 -3.256,1116 12.091,1117 14.197,1118 7.902,1119 24.721,1120 11.681,1121 2.284,1122 9.24,1123 21.657,1124 4.082,1125 13.21,1126 15.498,1127 8.539,1128 27.139,1129 12.766,1130 1.929,1131 6.434,1132 23.553,1133 3.103,1134 14.391,1135 16.949,1136 9.436,1137 29.6,1138 13.913,1139 1.789,1140 5.574,1141 25.456,1142 2.749,1143 15.542,1144 18.3,1145 10.13,1146 32.04,1147 15.03,1148 1.486,1149 5.026,1150 27.363,1151 2.289,1152 16.718,1153 19.73,1154 10.981,1155 34.498,1156 16.172,1157 1.029,1158 3.698,1159 29.275,1160 2.107,1161 17.885,1162 21.106,1163 11.71,1164 36.948,1165 17.304,1166 2916,1167 4736,1168 13.929,1169 23.466,1170 31.545,1171 32.888,1172 33.437,1173 31.427,1174 31.461,1175 37.02,1176 9.003,1177 93.436,1178 29.768,1179 5.454,1180 5.693,1181 6.498,1182 5.338,1183 5.277,1184 7.082,1185 3.889,1186 19.207,1187 5.158,1188 9.039,1189 1.502,1190 1.566,1191 1.592,1192 1.497,1193 1.498,1194 1.763,1195 0.429,1196 4.449,1197 1.418,1198 4.04,1199 4.07,1200 3.982,1201 3.936,1202 7.435,1203 3.942,1204 3.727,1205 3.769,1206 3.636,1207 3.595,1208 4.898,1209 3.594,1210 3.518,1211 3.582,1212 3.426,1213 3.207,1214 4.431,1215 3.252,1216 3.279,1217 3.357,1218 3.113,1219 3.035,1220 4.256,1221 3.039,1222 3.04,1223 3.127,1224 2.863,1225 2.86,1226 4.233,1227 2.844,1228 3.029,1229 3.071,1230 2.822,1231 2.788,1232 4.011,1233 2.794,1234 2.817,1235 2.879,1236 2.644,1237 2.605,1238 3.654,1239 2.596,1240 2.681,1241 2.734,1242 2.501,1243 2.491,1244 3.437,1245 2.501,1246 0.214,1247 0.176,1248 0.331,1249 0.202,1250 0.156,1251 4.496,1252 0.194,1253 3.693,1254 0.104,1255 6.945,1256 0.558,1257 4.24,1258 0.15,1259 3.277,1260 4.082,1261 2.186,1262 11.722,1263 3.158,1264 1.937,1265 1.92,1266 2.036,1267 2.051,1268 1.359,1269 2.044,1270 1.603,1271 1.549,1272 1.843,1273 1.79,1274 1.123,1275 1.811,1276 1.489,1277 1.417,1278 1.723,1279 1.765,1280 0.889,1281 1.744,1282 1.392,1283 1.316,1284 1.685,1285 1.664,1286 0.681,1287 1.679,1288 1.02,1289 0.948,1290 1.415,1291 1.305,1292 0.565,1293 1.342,1294 0.949,1295 0.89,1296 1.192,1297 1.249,1298 0.394,1299 1.225,1300 0.784,1301 0.725,1302 1.066,1303 1.069,1304 0.107,1305 1.086,1306 0.649,1307 0.607,1308 0.934,1309 0.854,1310 0.089,1311 0.875,1312 3.761,1314 5.094,1315 2.398,1316 6.637,1317 4.727,1318 8.285,1319 6.823,1320 9.992,1322 3.672,1328 2.927,1329 2.448,1330 11.083,1332 0.907,1333 2.343,1340 22.402,1341 57.633,1342 125.937,1343 166.485,1344 177.24,1345 177.24,1346 177.24,1347 26.473,1348 6.815,1349 50.8,1350 50.8,1351 17,1352 12.382,1353 3,1354 2.322,1355 27.646,1356 50,1357 55,1358 0.289,1359 136.751,1360 240.59,1361 325.432,1362 7033,1364 13.405,1365 0.706,1366 0.588,1367 13.405,1368 11.18,1369 9.203,1370 0.438,1371 0.312,1372 6.425,1373 8.705,1374 6.244,1375 5.174,1376 9.203,1377 6.559,1378 8.237,1379 0.275,1380 0.17,1381 8.237,1382 5.099,1383 7.229,1384 0.172,1385 0.094,1386 7.229,1387 3.951,1388 6.139,1389 0.106,1390 0.052,1391 6.139,1392 3.034,1393 5.034,1394 0.069,1395 0.028,1396 5.034,1397 2.069,1398 0.428,1399 58.735,1400 0.268,1401 18.449,1402 0.867,1403 102,1404 313.185,1405 115.765,1406 289.143,1407 393.81,1408 272,1409 123,1410 288.885,1411 137.074,1412 287.481,1413 426.92,1414 269,1415 7.523}
{0 CHEMBL189907,1 1.464,2 7.158,3 2.591,4 6.712,5 74.228,6 6.676,7 0.286,8 3.756,9 3.883,10 3.24,11 3.257,12 4.732,13 3.224,14 4.358,15 4.555,16 3.618,17 3.7,18 5.322,19 3.635,20 4.624,21 4.84,22 3.673,23 3.891,24 5.461,25 3.787,26 4.73,27 4.968,28 3.611,29 3.883,30 5.585,31 3.762,32 4.649,33 4.902,34 3.457,35 3.769,36 5.507,37 3.626,38 4.518,39 4.787,40 3.224,41 3.534,42 5.408,43 3.384,44 4.311,45 4.59,46 2.796,47 3.207,48 5.205,49 3.037,50 3.943,51 4.247,52 2.556,53 2.857,54 4.805,55 2.687,56 0.023,57 0.564,58 9.223,59 3.713,60 5.829,61 5.211,62 0.341,63 0.932,64 17.869,65 6.285,66 28.472,67 9.166,68 0.156,69 1.136,70 23.113,71 8.88,72 22.003,73 12.57,74 0.282,75 1.18,76 26.412,77 9.241,78 34.261,79 13.24,80 0.272,81 1.079,82 24.305,83 8.46,84 28.508,85 12.385,86 0.204,87 0.896,88 21.529,89 7.027,90 31.596,91 10.445,92 0.384,93 0.67,94 18.172,95 5.225,96 36.987,97 7.71,98 0.106,99 0.485,100 12.11,101 3.642,102 16.28,103 5.743,104 13,105 30,106 0.267,107 0.591,108 0.812,109 0.881,110 0.881,111 0.881,112 3.012,113 0.989,114 -3.21,115 -3.2,116 -3.08,121 38.5,123 3,124 1,126 2,127 1,129 1,144 3,145 2,146 1,161 1,176 8,179 1,180 5,183 2,187 9,192 6,200 9,206 6,211 2,214 6,218 1,219 5,224 3,227 3,232 3,237 2,239 1,243 1,244 1,247 1,249 1,256 1,261 1,281 378,282 12.939,283 12.939,284 12.939,285 12.939,286 12.939,287 12.057,288 16.945,289 7.486,290 13.229,291 10.287,292 10.287,293 10.287,294 10.287,295 10.287,296 8.846,297 18.967,298 3.447,299 10.689,300 3.822,301 2.039,302 0.827,303 0.449,304 0.449,305 0.449,306 3.689,310 1,311 1,312 1,313 292,314 2.828,317 31.001,318 67.422,321 51.565,322 58.019,325 1.13,326 14.182,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 41,338 136,339 4.496,340 3.685,341 6.945,342 4.255,343 3.277,344 4.082,345 2.186,346 11.722,347 3.207,348 3.947,349 3.513,350 6.238,351 3.726,352 2.773,353 3.103,354 0.916,355 9.24,356 2.643,357 3.586,358 2.946,359 5.274,360 3.239,361 2.284,362 2.749,363 0.366,364 6.434,365 2.151,366 3.134,367 2.195,368 4.984,369 2.907,370 1.929,371 2.289,372 0.172,373 5.574,374 1.885,375 2.976,376 2.053,377 4.797,378 2.747,379 1.789,380 2.107,382 5.026,383 1.701,384 2.81,385 1.715,386 4.214,387 2.479,388 1.486,389 1.844,391 3.698,392 1.473,393 2.128,394 1.302,395 3.763,396 1.997,397 1.029,398 1.105,400 2.608,401 0.992,402 1.851,403 1.098,404 3.312,405 1.766,406 0.781,407 0.822,409 1.829,410 0.768,411 1.507,412 0.861,413 2.907,414 1.303,415 0.383,416 0.409,418 0.587,419 0.348,420 1.243,421 0.584,422 2.516,423 0.868,424 -0.113,425 -0.139,427 -0.248,428 -0.109,429 0.776,430 -0.097,431 2.364,432 0.559,433 -0.42,434 -0.451,436 -1.024,437 -0.409,438 0.648,439 -0.235,440 2.266,441 0.38,442 -0.604,443 -0.729,445 -1.624,446 -0.591,447 0.406,448 -0.515,449 2,450 0.032,451 -0.952,452 -1.12,454 -2.36,455 -0.922,456 -0.037,457 -0.832,458 1.836,459 -0.176,460 -1.142,461 -1.35,463 -3.042,464 -1.099,465 -0.197,466 -0.994,467 1.595,468 -0.444,469 -1.408,470 -1.721,472 -3.256,473 -1.371,474 8.967,475 0.472,476 0.469,477 0.025,478 20.5,479 1.079,480 8,481 0.421,482 12.5,483 0.658,484 16.637,485 0.876,486 21.633,487 0.555,488 13.119,489 0.69,490 3.858,491 0.203,492 5.344,493 0.281,494 0.149,496 0.379,501 0.783,502 1.46,503 0.87,504 1.234,505 0.562,506 1.084,507 0.652,508 0.902,509 0.896,510 0.891,511 0.392,512 0.907,513 0.837,514 1.126,515 0.963,516 1.141,517 0.615,518 1.083,519 1.167,520 1.048,521 1.051,522 1.043,523 0.958,524 1.039,525 0.901,526 1.081,527 1.031,528 1.103,529 0.821,530 1.092,531 1.037,532 1.13,533 1.017,534 1.128,535 1.233,536 1.079,537 1.625,538 0.762,539 1.218,540 0.832,541 1.709,542 0.959,543 0.812,544 1.158,545 0.857,546 1.049,547 1.212,548 0.968,549 3.5,551 2.444,552 1.535,553 1.098,554 0.583,555 0.342,556 0.246,557 0.108,558 0.025,559 2910,560 6586,561 2.081,562 51.3,563 4,564 12,567 1,569 3,572 1.608,573 1.932,574 2.848,575 -0.301,577 1,579 1,582 57.089,583 1.464,584 3.247,585 4.458,586 4.836,587 4.836,588 4.836,589 2.268,590 4.143,591 4.219,592 2.955,593 505.318,594 7.212,595 4788.83,596 1,597 1,599 1,600 206.131,601 1.462,602 4.171,603 0.167,605 0.081,606 0.05,607 0.039,608 0.025,609 0.02,610 0.025,611 0.013,612 0.008,613 0.429,614 0.83,615 1,616 1.315,617 80.313,618 -0.013,619 -0.187,620 0.07,621 -0.07,622 0.001,624 0.26,625 0.266,626 0.075,627 0.151,628 0.225,629 0.102,630 -0.031,631 -0.08,632 -0.021,633 -0.076,634 0.039,635 -0.05,636 -0.119,637 -0.07,638 -0.075,639 -0.038,640 -0.054,641 -0.05,643 -0.108,644 -0.071,645 -0.112,646 -0.016,647 -0.105,648 -0.038,649 -0.206,650 -0.04,651 -0.178,652 -0.069,653 -0.118,654 -0.144,655 0.109,656 -0.176,657 0.041,658 -0.217,659 -0.065,660 0.055,661 -0.279,662 0.114,663 -0.153,664 0.054,665 -0.031,666 2.06,667 4.415,668 0.684,669 11.657,670 0.995,671 1.132,672 1.983,673 3.93,674 0.635,675 3.091,676 3.434,677 3.761,678 4.078,679 4.304,680 4.394,681 4.533,682 4.673,683 4.625,684 4.454,685 4.393,686 0.595,687 260.37,688 3.091,689 4.635,690 5.509,691 6.412,692 7.31,693 8.221,694 9.128,695 10.043,696 10.953,697 11.87,698 5.1,701 1,705 1,715 3,720 3,722 6,737 1,741 39,743 7,744 1,745 21,747 41,748 15,749 6,750 3,751 3,756 3,757 6,767 4,768 1,770 4,772 7,773 8,774 1,777 1,782 1,786 1,789 1,790 1,793 20,794 4,795 1,796 4,802 2,808 0.333,809 2,825 1,828 1,829 2,832 1,833 1,855 1,859 1,864 2,868 19,876 4,877 1,878 1,880 2,881 1,893 5.1,896 1,898 1,901 9.833,902 7.45,903 4.222,904 2.471,907 1.375,908 1.202,909 0.957,910 3.397,911 8.19,912 3.258,913 3.773,914 4.273,915 4.799,916 5.277,917 5.47,918 5.751,919 6.042,920 6.106,921 6.04,922 0.8,923 31,924 7.055,926 2.996,927 0.026,929 7.623,931 13.884,933 11.844,936 2.123,937 40.333,938 0.002,941 223.651,942 73.308,943 21.135,945 36.145,948 73.308,949 259.796,950 21.135,951 16.793,952 27.72,953 28.429,954 25.145,955 25.739,956 6.763,957 223.651,959 223.651,960 94.443,961 36.145,964 188.338,965 71.458,968 30.844,969 63.599,972 223.651,973 57.28,974 73.308,977 223.651,978 28.086,979 48.346,980 18.011,981 36.145,982 223.651,983 57.28,984 73.308,986 0.582,987 0.355,988 0.196,989 0.108,990 16,991 7,992 0.049,993 2,994 2,995 1.308,996 3.058,997 146.534,998 0.308,999 13,1000 80.711,1005 12.795,1006 5.044,1007 2.204,1009 57.28,1010 6.069,1015 3.273,1017 18.011,1018 354.239,1019 25,1024 11.415,1028 -0.393,1031 38.811,1032 44.152,1034 0.277,1035 0.614,1036 0.843,1037 0.915,1038 0.915,1039 0.915,1040 4.527,1041 0.781,1042 5.509,1043 2.608,1044 4.111,1045 4.454,1046 2.401,1047 6.375,1048 4.041,1049 5.698,1050 0.383,1051 7.101,1052 1.829,1053 3.761,1054 4.27,1055 1.847,1056 7.405,1057 3.657,1058 7.001,1059 -0.113,1060 8.796,1061 0.587,1062 5.746,1063 6.506,1064 3.519,1065 10.554,1066 5.614,1067 8.337,1068 -0.42,1069 10.553,1070 -0.248,1071 6.236,1072 7.142,1073 3.603,1074 12.445,1075 6.074,1076 9.708,1077 -0.604,1078 12.351,1079 -1.024,1080 7.7,1081 8.903,1082 4.91,1083 15.124,1084 7.519,1085 11.103,1086 -0.952,1087 14.178,1088 -1.624,1089 8.574,1090 9.923,1091 5.291,1092 17.354,1093 8.369,1094 12.517,1095 -1.142,1096 16.027,1097 -2.36,1098 9.845,1099 11.498,1100 6.388,1101 19.881,1102 9.623,1103 3.277,1104 -1.408,1105 17.892,1106 -3.042,1107 10.89,1108 12.705,1109 6.93,1110 22.245,1111 10.647,1112 2.773,1113 11.722,1114 19.77,1115 -3.256,1116 12.091,1117 14.197,1118 7.902,1119 24.721,1120 11.833,1121 2.284,1122 9.24,1123 21.657,1124 4.082,1125 13.21,1126 15.498,1127 8.539,1128 27.139,1129 12.932,1130 1.929,1131 6.434,1132 23.553,1133 3.103,1134 14.391,1135 16.949,1136 9.436,1137 29.6,1138 14.096,1139 1.789,1140 5.574,1141 25.456,1142 2.749,1143 15.542,1144 18.3,1145 10.13,1146 32.04,1147 15.228,1148 1.486,1149 5.026,1150 27.363,1151 2.289,1152 16.718,1153 19.73,1154 10.981,1155 34.498,1156 16.387,1157 1.029,1158 3.698,1159 29.275,1160 2.107,1161 17.885,1162 21.106,1163 11.71,1164 36.948,1165 17.534,1166 2916,1167 4472,1168 13.929,1169 24.773,1170 31.545,1171 32.78,1172 33.437,1173 31.436,1174 31.461,1175 37.02,1176 7.283,1177 93.436,1178 30.337,1179 5.454,1180 5.685,1181 6.498,1182 5.304,1183 5.277,1184 7.082,1185 3.889,1186 19.207,1187 5.207,1188 9.039,1189 1.502,1190 1.561,1191 1.592,1192 1.497,1193 1.498,1194 1.763,1195 0.347,1196 4.449,1197 1.445,1198 4.063,1199 4.098,1200 3.997,1201 3.984,1202 7.435,1203 3.982,1204 3.727,1205 3.771,1206 3.636,1207 3.595,1208 4.805,1209 3.594,1210 3.519,1211 3.584,1212 3.427,1213 3.209,1214 4.382,1215 3.252,1216 3.367,1217 3.448,1218 3.189,1219 3.201,1220 4.246,1221 3.19,1222 3.081,1223 3.184,1224 2.863,1225 2.883,1226 4.02,1227 2.861,1228 3.032,1229 3.075,1230 2.843,1231 2.825,1232 3.901,1233 2.822,1234 2.844,1235 2.906,1236 2.665,1237 2.623,1238 3.596,1239 2.625,1240 2.703,1241 2.786,1242 2.501,1243 2.527,1244 3.401,1245 2.515,1246 0.214,1247 0.175,1248 0.331,1249 0.203,1250 0.156,1251 4.496,1252 0.194,1253 3.685,1254 0.104,1255 6.945,1256 0.558,1257 4.255,1258 0.153,1259 3.277,1260 4.082,1261 2.186,1262 11.722,1263 3.207,1264 1.991,1265 1.967,1266 2.107,1267 2.079,1268 1.468,1269 2.088,1270 1.619,1271 1.566,1272 1.849,1273 1.797,1274 1.13,1275 1.818,1276 1.492,1277 1.418,1278 1.728,1279 1.766,1280 0.89,1281 1.746,1282 1.393,1283 1.318,1284 1.685,1285 1.666,1286 0.801,1287 1.681,1288 1.209,1289 1.134,1290 1.534,1291 1.412,1292 0.681,1293 1.458,1294 0.96,1295 0.891,1296 1.298,1297 1.25,1298 0.488,1299 1.248,1300 0.824,1301 0.762,1302 1.072,1303 1.13,1304 0.257,1305 1.147,1306 0.721,1307 0.648,1308 1.041,1309 0.912,1310 0.098,1311 0.96,1312 3.761,1314 5.094,1315 2.398,1316 6.637,1317 4.727,1318 8.285,1319 6.823,1320 9.992,1322 3.768,1328 4.643,1329 2.504,1330 5.377,1332 1.254,1333 2.423,1340 23.214,1341 57.089,1342 126.621,1343 173.866,1344 188.621,1345 188.621,1346 188.621,1347 25.447,1348 6.815,1349 41.57,1350 41.57,1351 17,1352 12.382,1353 3,1354 2.322,1355 27.646,1356 50,1357 55,1358 0.289,1359 142.347,1360 249.1,1361 339.086,1362 7033,1364 13.405,1365 0.706,1366 0.604,1367 13.405,1368 11.479,1369 9.203,1370 0.438,1371 0.33,1372 6.819,1373 8.826,1374 6.613,1375 5.486,1376 9.203,1377 6.92,1378 8.237,1379 0.275,1380 0.183,1381 8.237,1382 5.476,1383 7.229,1384 0.172,1385 0.106,1386 7.229,1387 4.434,1388 6.139,1389 0.106,1390 0.061,1391 6.139,1392 3.523,1393 5.034,1394 0.069,1395 0.035,1396 5.034,1397 2.584,1398 0.428,1399 57.827,1400 0.268,1401 18.449,1402 0.867,1403 102,1404 269.449,1405 112.222,1406 255.474,1407 350.69,1408 240,1409 123,1410 259.43,1411 132.644,1412 261.114,1413 386.04,1414 245,1415 7.762}
{0 CHEMBL189957,1 1.448,2 18.946,3 6.445,4 41.535,5 143.929,6 7.08,7 0.45,8 4.338,9 4.449,10 3.858,11 3.862,12 5.407,13 3.837,14 4.888,15 5.061,16 4.18,17 4.231,18 5.944,19 4.182,20 5.143,21 5.347,22 4.244,23 4.363,24 6.131,25 4.289,26 5.206,27 5.436,28 4.178,29 4.33,30 6.229,31 4.239,32 5.126,33 5.356,34 4.044,35 4.304,36 6.067,37 4.188,38 5.132,39 5.384,40 3.954,41 4.274,42 5.996,43 4.128,44 5.109,45 5.37,46 3.814,47 4.19,48 5.917,49 4.033,50 5.006,51 5.265,52 3.745,53 4.101,54 5.816,55 3.948,56 0.011,57 0.951,58 15.312,59 6.957,60 8.38,61 8.961,62 0.392,63 1.531,64 29.088,65 11.219,66 39.027,67 14.985,68 0.322,69 1.835,70 38.941,71 14.839,72 47.74,73 19.71,74 0.693,75 1.891,76 43.202,77 15.111,78 84.032,79 20.549,80 0.465,81 1.809,82 39.047,83 14.392,84 61.221,85 19.742,86 0.408,87 1.81,88 39.367,89 14.869,90 57.929,91 20.963,92 0.524,93 1.723,94 39.434,95 14.138,96 57.891,97 19.798,98 0.409,99 1.558,100 35.301,101 12.846,102 47.882,103 18.064,104 20,105 53,106 0.226,107 0.516,108 0.711,109 0.853,110 0.903,111 0.903,112 3.641,113 0.959,114 -4.53,115 -4.46,116 -4.2,121 42.3,123 5,126 2,127 3,144 11,145 3,146 4,159 1,161 1,176 14,179 1,180 13,183 2,187 15,192 12,200 9,205 2,206 13,211 2,214 10,218 1,219 6,224 2,227 12,231 1,232 6,237 1,239 12,243 1,244 4,247 1,251 10,255 1,256 4,264 11,269 4,274 1,277 10,281 2836,282 25.283,283 25.283,284 25.283,285 25.283,286 25.283,287 22.901,288 28.551,289 15.437,290 25.805,291 19.743,292 19.743,293 19.743,294 19.743,295 19.743,296 15.999,297 35.777,298 7.37,299 20.52,300 4.701,301 2.843,302 1.592,303 0.684,304 0.359,305 0.359,306 4.339,312 1,313 1512,314 4.583,318 464.858,322 351.624,325 2.767,326 34,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 80,338 701,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 2.186,346 11.061,347 3.18,348 4.105,349 3.66,350 6.011,351 3.723,352 2.761,353 3.688,354 0.916,355 8.529,356 2.661,357 4.048,358 2.995,359 5.681,360 3.613,361 2.642,362 3.676,363 0.86,364 7.996,365 2.563,366 3.672,367 2.984,368 5.407,369 3.38,370 2.451,371 2.964,372 0.86,373 6.913,374 2.261,375 3.617,376 2.82,377 5.29,378 3.232,379 2.271,380 2.886,381 0.366,382 6.815,383 2.172,384 3.378,385 2.632,386 5.124,387 3.123,388 2.167,389 2.515,390 0.172,391 6.04,392 2.055,393 3.309,394 2.495,395 4.862,396 2.957,397 2.016,398 2.504,400 5.594,401 1.88,402 3.09,403 2.172,404 4.585,405 2.835,406 1.849,407 2.175,409 4.814,410 1.812,411 2.906,412 1.865,413 4.125,414 2.721,415 1.748,416 2.082,418 3.683,419 1.69,420 2.823,421 1.668,422 3.859,423 2.436,424 1.45,425 1.836,427 3.384,428 1.425,429 2.714,430 1.528,431 3.715,432 2.355,433 1.38,434 1.807,436 3.083,437 1.341,438 2.658,439 1.37,440 3.535,441 2.243,442 1.256,443 1.724,445 2.889,446 1.236,447 2.465,448 1.298,449 3.492,450 2.179,451 1.187,452 1.438,454 2.605,455 1.175,456 2.378,457 1.278,458 3.458,459 1.91,460 0.914,461 1.268,463 2.095,464 0.902,465 1.894,466 1.101,467 3.105,468 1.768,469 0.78,470 0.863,472 1.73,473 0.766,474 17.467,475 0.472,476 0.729,477 0.02,478 45.75,479 1.236,480 22.5,481 0.608,482 23.25,483 0.628,484 33.326,485 0.901,486 40.733,487 0.574,488 35.846,489 0.969,490 9.029,491 0.244,492 9.001,493 0.243,494 0.095,496 0.281,501 0.771,502 1.317,503 0.823,504 1.18,505 0.58,506 1.033,507 0.861,508 0.991,509 0.918,510 1.003,511 0.541,512 0.962,513 1.103,514 1.066,515 0.939,516 1.055,517 0.796,518 0.985,519 1.123,520 0.929,521 0.952,522 0.907,523 1.064,524 0.903,525 1.008,526 0.999,527 1.052,528 1.006,529 1.078,530 1.032,531 0.669,532 1.061,533 0.964,534 1.077,535 0.591,536 1.07,537 0.928,538 0.914,539 1.055,540 0.978,541 0.746,542 1.03,543 0.859,544 0.993,545 1.016,546 1.017,547 0.734,548 1.041,549 6.5,550 0.149,551 2.889,552 2.375,553 1.853,554 0.868,555 0.604,556 0.361,557 0.23,558 0.142,559 28010,560 73179,561 2.071,562 47.9,563 6,564 23,567 1,569 4,572 1.769,573 1.965,574 4.153,575 -0.419,582 102.842,583 1.448,584 3.307,585 4.558,586 5.466,587 5.79,588 5.79,589 3.601,590 4.939,591 5.187,592 4.376,593 2914.69,594 9.052,595 55705.2,600 436.632,601 1.283,602 5.153,603 0.162,604 0.006,605 0.055,606 0.043,607 0.037,608 0.02,609 0.015,610 0.011,611 0.007,612 0.005,613 0.361,614 0.17,615 0.75,616 0.91,617 214.281,618 -0.012,619 -0.138,620 0.058,621 -0.075,622 -0.015,623 -0.009,624 0.101,625 0.119,626 0.032,627 0.017,628 0.131,629 0.02,630 -0.058,631 -0.07,632 0.04,633 -0.043,634 0.038,635 0.007,636 0.027,637 0.037,638 0.061,639 0.066,640 0.071,641 0.069,642 -0.074,643 -0.004,644 -0.076,645 -0.015,646 -0.077,647 -0.042,648 0.061,649 -0.09,650 -0.006,651 -0.082,652 0.05,653 -0.059,654 -0.039,655 0.039,656 -0.067,657 -0.01,658 -0.053,659 -0.04,660 -0.019,661 -0.042,662 -0.037,663 -0.039,664 -0.024,665 -0.043,666 2.129,667 5.655,668 0.541,669 50.647,670 1,671 1.122,672 3.301,673 10.9,674 0.654,675 3.714,676 3.989,677 4.22,678 4.466,679 4.691,680 4.762,681 4.852,682 4.963,683 4.99,684 4.89,685 11.057,686 0.62,687 502.66,688 3.714,689 5.231,690 6.057,691 6.913,692 7.758,693 8.626,694 9.483,695 10.359,696 11.224,697 12.106,698 2.8,701 1,705 1,715 11,720 7,722 18,727 1,737 1,739 2,741 71,743 20,744 3,745 40,747 74,748 30,749 18,750 7,751 11,752 1,756 4,757 7,770 5,772 20,773 10,777 2,782 2,786 2,793 34,794 7,795 1,796 7,802 2,808 0.5,809 5,829 4,833 2,855 1,859 2,864 2,868 37,876 8,877 1,878 3,881 1,893 7,896 2,898 3,901 18.833,902 13.2,903 8.361,904 4.463,907 3.422,908 1.417,909 0.961,910 9.722,911 11.623,912 3.951,913 4.472,914 4.985,915 5.527,916 6.049,917 6.26,918 6.585,919 6.935,920 7.196,921 7.353,922 1,923 55,924 13.717,926 5.696,927 0.026,929 7.716,931 26.395,933 21.194,936 2.216,937 82,941 388.446,942 184.934,943 21.135,945 83.29,948 184.934,949 471.736,950 21.135,951 16.793,952 39.487,953 104.239,954 55.423,955 66.654,956 6.763,957 388.446,959 388.446,960 206.069,961 83.29,964 341.362,965 130.374,968 42.612,969 163.458,972 388.446,973 104.425,974 184.934,977 388.446,978 63.903,979 124.156,980 18.011,981 83.29,982 388.446,983 104.425,984 184.934,986 0.565,987 0.321,988 0.172,989 0.095,990 22,991 10,992 0.176,993 13,994 2,995 1.2,996 5.039,997 320.866,998 0.2,999 20,1000 192.75,1005 26.869,1006 13.387,1007 7.653,1009 104.425,1010 20.345,1015 4.689,1017 18.011,1018 677.805,1019 51,1024 24.043,1028 -0.479,1031 70.978,1032 79.687,1034 0.236,1035 0.538,1036 0.741,1037 0.889,1038 0.942,1039 0.942,1040 5.168,1041 1.849,1042 6.009,1043 5.594,1044 4.673,1045 5.159,1046 2.639,1047 6.765,1048 4.602,1049 6.333,1050 1.748,1051 7.528,1052 4.814,1053 4.111,1054 4.832,1055 1.847,1056 7.551,1057 4.007,1058 7.61,1059 1.45,1060 9.148,1061 3.683,1062 6.205,1063 7.253,1064 3.582,1065 10.669,1066 6.071,1067 8.922,1068 1.38,1069 10.832,1070 3.384,1071 6.479,1072 7.753,1073 3.603,1074 12.333,1075 6.327,1076 10.268,1077 1.256,1078 12.559,1079 3.083,1080 8.01,1081 9.648,1082 4.922,1083 14.974,1084 7.837,1085 11.639,1086 1.187,1087 14.317,1088 2.889,1089 8.71,1090 10.56,1091 5.291,1092 17.035,1093 8.533,1094 13.031,1095 0.914,1096 16.099,1097 2.605,1098 10.001,1099 12.218,1100 6.39,1101 19.515,1102 9.809,1103 3.215,1104 0.78,1105 17.901,1106 2.095,1107 10.925,1108 13.35,1109 6.93,1110 21.76,1111 10.733,1112 2.761,1113 11.061,1114 19.719,1115 1.73,1116 12.117,1117 14.889,1118 7.902,1119 24.185,1120 11.916,1121 2.642,1122 8.529,1123 21.55,1124 4.198,1125 13.154,1126 16.144,1127 8.539,1128 26.514,1129 12.954,1130 2.451,1131 7.996,1132 23.393,1133 3.688,1134 14.311,1135 17.622,1136 9.436,1137 28.922,1138 14.104,1139 2.271,1140 6.913,1141 25.246,1142 3.676,1143 15.406,1144 18.946,1145 10.13,1146 31.289,1147 15.199,1148 2.167,1149 6.815,1150 27.107,1151 2.964,1152 16.553,1153 20.392,1154 10.981,1155 33.692,1156 16.341,1157 2.016,1158 6.04,1159 28.975,1160 2.886,1161 17.679,1162 21.757,1163 11.71,1164 36.077,1165 17.463,1166 26503,1167 43062,1168 26.929,1169 46.466,1170 57.874,1171 60.446,1172 59.679,1173 57.508,1174 57.486,1175 72.641,1176 10.723,1177 156.8,1178 55.446,1179 5.517,1180 5.692,1181 6.664,1182 5.3,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.18,1188 17.641,1189 1.447,1190 1.511,1191 1.492,1192 1.438,1193 1.437,1194 1.816,1195 0.268,1196 3.92,1197 1.386,1198 4.049,1199 4.058,1200 4.015,1201 3.966,1202 7.435,1203 3.975,1204 3.941,1205 3.971,1206 3.878,1207 3.858,1208 7.427,1209 3.858,1210 3.795,1211 3.839,1212 3.717,1213 3.713,1214 4.947,1215 3.71,1216 3.748,1217 3.788,1218 3.612,1219 3.638,1220 4.814,1221 3.621,1222 3.596,1223 3.664,1224 3.477,1225 3.408,1226 4.708,1227 3.406,1228 3.519,1229 3.583,1230 3.404,1231 3.218,1232 4.378,1233 3.259,1234 3.368,1235 3.441,1236 3.229,1237 3.165,1238 4.327,1239 3.17,1240 3.208,1241 3.229,1242 3.105,1243 3.054,1244 4.239,1245 3.064,1246 0.114,1247 0.092,1248 0.169,1249 0.105,1250 0.08,1251 4.553,1252 0.105,1253 3.692,1254 0.055,1255 6.774,1256 0.277,1257 4.203,1258 0.08,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.062,1267 2.084,1268 1.392,1269 2.074,1270 1.911,1271 1.885,1272 2.048,1273 2.027,1274 1.21,1275 2.034,1276 1.792,1277 1.757,1278 2.004,1279 1.942,1280 1.164,1281 1.966,1282 1.756,1283 1.707,1284 1.89,1285 1.862,1286 1.104,1287 1.872,1288 1.575,1289 1.505,1290 1.827,1291 1.787,1292 0.976,1293 1.799,1294 1.405,1295 1.337,1296 1.692,1297 1.725,1298 0.854,1299 1.716,1300 1.351,1301 1.272,1302 1.658,1303 1.588,1304 0.683,1305 1.616,1306 1.148,1307 1.126,1308 1.44,1309 1.362,1310 0.663,1311 1.379,1312 4.394,1314 5.68,1316 7.16,1318 8.741,1320 10.383,1322 3.648,1328 7.989,1329 2.454,1330 17.03,1333 2.281,1340 44.046,1341 102.842,1342 234.807,1343 323.585,1344 388.103,1345 411.122,1346 411.122,1347 75.59,1348 8.201,1349 81.01,1350 81.01,1351 24,1352 12.644,1353 4.392,1354 3.585,1355 65.842,1356 256,1357 219,1358 0.121,1359 270.336,1360 482.33,1361 651.379,1362 58076,1364 26.037,1365 0.704,1366 0.581,1367 26.037,1368 21.496,1369 18.029,1370 0.451,1371 0.32,1372 12.609,1373 17.325,1374 12.29,1375 10.269,1376 18.029,1377 12.788,1378 15.594,1379 0.294,1380 0.174,1381 15.594,1382 9.226,1383 12.693,1384 0.189,1385 0.094,1386 12.693,1387 6.268,1388 10.424,1389 0.121,1390 0.05,1391 10.424,1392 4.332,1393 8.31,1394 0.077,1395 0.027,1396 8.31,1397 2.933,1398 0.206,1399 113.126,1400 0.193,1401 35.419,1402 0.293,1403 186,1404 562.656,1405 205.743,1406 530.823,1407 720.75,1408 498,1409 213,1410 525.442,1411 232.112,1412 527.413,1413 769.99,1414 495,1415 6.495}
{0 CHEMBL189988,1 1.481,2 7,3 2.94,4 8.641,5 64.425,6 8.297,7 0.706,8 3.412,9 3.483,10 3.313,11 3.151,12 4.472,13 3.056,14 3.911,15 4.013,16 3.509,17 3.489,18 5.289,19 3.382,20 4.171,21 4.337,22 3.526,23 3.558,24 5.375,25 3.413,26 4.131,27 4.315,28 3.4,29 3.398,30 5.42,31 3.255,32 4.007,33 4.196,34 3.153,35 3.192,36 5.362,37 3.099,38 3.729,39 3.915,40 2.764,41 3.003,42 4.975,43 2.904,44 3.52,45 3.747,46 2.378,47 2.837,48 4.481,49 2.676,50 3.302,51 3.583,52 1.857,53 2.506,54 4.043,55 2.279,56 0.05,57 0.338,58 7.256,59 3.183,60 12.327,61 3.406,62 0.122,63 0.55,64 11.371,65 5.171,66 38.198,67 5.735,68 0.119,69 0.728,70 16.845,71 6.923,72 34.86,73 7.536,74 0.142,75 0.71,76 18.996,77 7.009,78 39.771,79 7.24,80 0.214,81 0.602,82 16.234,83 5.683,84 53.325,85 5.742,86 0.144,87 0.442,88 9.911,89 3.901,90 35.328,91 4.439,92 0.061,93 0.367,94 7.128,95 3.209,96 15.609,97 4.313,98 0.029,99 0.304,100 6.329,101 2.752,102 7.908,103 3.907,104 5,105 23,106 0.284,107 0.44,108 0.534,109 0.693,110 0.772,111 0.786,112 2.853,113 1.174,114 -4.4,115 -4.33,116 -4.09,121 46.4,127 1,144 10,145 1,146 1,176 10,179 1,187 10,192 6,200 5,206 8,214 2,219 6,227 6,232 2,239 9,251 8,264 4,277 1,281 270,282 10.646,283 10.646,284 10.646,285 10.646,286 10.646,287 8.881,288 6.102,289 6.539,290 10.909,291 8.422,292 8.422,293 8.422,294 8.422,295 8.422,296 5.869,297 5.592,298 3.134,299 8.885,300 3.326,301 2.516,302 2.026,303 1.197,304 0.786,305 0.714,306 3.501,311 1,312 1,313 234,314 2.828,318 107.525,325 1,326 20.006,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 34,338 112,339 4.854,340 5.262,341 7.307,342 4.253,343 3.389,344 4.704,345 3.272,346 12.506,347 2.898,348 3.86,349 3.016,350 5.394,351 3.441,352 2.448,353 3.421,355 6.963,356 2.423,357 3.538,358 2.336,359 4.796,360 2.984,361 2,362 3.036,364 5.19,365 1.957,366 2.887,367 1.719,368 3.695,369 2.438,370 1.443,371 2.05,373 3.071,374 1.435,375 2.689,376 1.431,377 3.521,378 2.156,379 1.172,380 1.753,382 2.709,383 1.147,384 2.5,385 1,386 3.247,387 2,388 1,389 1.5,391 2.136,392 1,393 2.5,394 1,395 3.247,396 2,397 1,398 1.5,400 2.136,401 1,402 1.195,403 0.683,404 3,405 0.836,406 -0.121,407 -0.151,409 -0.323,410 -0.113,411 1,412 -0.044,413 2.517,414 0.23,415 -0.729,416 -1.023,418 -1.635,419 -0.679,420 0.735,421 -0.375,422 2,424 -1,425 -1.387,427 -2.347,428 -0.911,429 0.5,430 -1,431 1.758,433 -1,434 -1.5,436 -2.347,437 -1,438 0.5,439 -1,440 1.555,442 -1,443 -1.5,445 -2.544,446 -1,447 0.431,448 -1,449 1.555,450 -0.064,451 -1,452 -2,454 -3,455 -1,456 -0.372,457 -1.135,458 1.056,459 -0.789,460 -1.683,461 -2.169,463 -4.789,464 -1.472,465 -0.5,466 -1.313,467 0.956,468 -1,469 -1.919,470 -2.233,472 -4.789,473 -1.684,474 8,475 0.5,476 0.403,477 0.025,478 24,479 1.5,480 15,481 0.938,482 9,483 0.563,484 8.295,485 0.518,486 16.6,487 0.593,488 14.831,489 0.927,490 4.744,491 0.296,492 2.94,493 0.184,494 0.083,495 0.104,496 0.125,501 0.318,502 0.998,503 0.861,504 1.134,505 0.635,506 0.891,507 0.601,508 1.131,509 1.099,510 1.165,511 0.625,512 1.078,513 1.144,514 1.094,515 1.131,516 1.098,517 1.122,518 1.071,519 1.395,520 1.141,521 1.313,522 1.225,523 1.309,524 1.037,525 1.928,526 0.86,527 1.17,528 0.92,529 1.848,530 0.832,531 1.521,532 0.848,533 0.936,534 0.792,535 1.491,536 0.954,537 0.546,538 0.947,539 0.695,540 0.807,541 0.56,542 1.1,543 0.1,544 1.022,545 0.622,546 0.87,547 0.122,548 1.14,549 3.5,551 1.778,552 1.125,553 0.72,554 0.403,555 0.082,556 0.049,557 0.032,559 1905,560 5529,561 2.015,562 42.9,564 12,572 1.552,573 1.901,574 2.839,575 -0.795,577 1,579 1,582 41.481,583 1.481,584 2.292,585 2.781,586 3.611,587 4.022,588 4.093,589 2.25,590 3.125,591 3.975,592 2.908,593 348.981,594 6.693,595 2991.98,597 1,599 1,600 134.606,601 1.372,602 3.925,603 0.206,605 0.077,606 0.054,607 0.04,608 0.025,609 0.007,610 0.006,611 0.008,613 0.423,614 0.83,615 1,616 0.625,617 64.084,618 0.184,619 0.003,620 0.256,621 -0.023,622 -0.148,623 0.049,624 0.225,625 -0.158,626 -0.095,627 -0.148,628 0.205,629 -0.16,630 -0.1,631 -0.114,632 -0.067,633 -0.072,634 -0.075,635 -0.116,636 -0.098,637 -0.133,638 -0.089,639 -0.12,640 -0.005,641 -0.062,642 -0.263,643 0.125,644 -0.107,645 0.069,646 -0.16,647 0.103,648 -0.266,649 0.079,650 -0.188,651 0.025,652 -0.22,653 -0.042,654 -0.052,655 -0.053,656 -0.094,657 -0.052,658 -0.078,659 -0.132,660 0.112,661 -0.125,662 0.031,663 -0.085,664 0.06,665 -0.105,666 4.13,667 5.002,668 0.75,669 8.594,670 1.001,671 1.101,672 3.173,673 10.066,674 0.719,675 2.89,676 3.178,677 3.332,678 3.497,679 3.611,680 3.367,681 3.367,682 3.219,683 3.045,684 2.833,685 4.23,686 0.671,687 232.32,688 2.89,689 4.394,690 5.198,691 6.057,692 6.882,693 7.747,694 8.581,695 9.449,696 10.287,697 11.156,715 10,720 2,722 12,741 28,743 14,744 2,745 17,747 29,748 13,749 12,750 2,751 10,756 2,757 2,772 12,773 1,777 2,780 1,782 2,790 1,793 12,794 2,796 3,797 1,808 1,809 2,829 2,859 2,862 1,868 16,871 1,876 1,893 7.1,896 2,901 8.417,902 4.833,903 3.542,904 1.528,907 2.106,908 1.371,909 0.993,910 3.068,911 7.783,912 3.258,913 3.871,914 4.297,915 4.79,916 5.241,917 5.073,918 5.364,919 5.364,920 5.433,921 5.614,922 0.8,923 21,924 6.083,926 2.74,927 0.026,929 7.984,931 11.237,933 9.275,936 2.484,937 39.75,938 0.002,941 141.253,942 106.444,945 44.313,947 6.046,948 100.398,949 185.566,952 0.9,953 100.808,954 44.313,955 4.736,957 141.253,959 141.253,960 100.398,961 44.313,962 6.046,964 141.253,965 44.313,968 0.9,969 99.499,970 6.046,972 141.253,973 44.313,974 106.444,976 6.046,977 141.253,978 5.636,979 94.762,981 44.313,982 141.253,983 44.313,984 106.444,986 0.573,987 0.317,988 0.165,989 0.087,990 11,991 4,992 0.103,993 3,995 1,996 2.846,997 103.073,999 12,1000 54,1004 1,1005 10.905,1006 4.501,1007 2.718,1009 44.313,1010 17.721,1015 1.185,1018 292.011,1019 25,1022 -3.213,1024 24.003,1031 28.033,1032 30.83,1034 0.308,1035 0.477,1036 0.579,1037 0.751,1038 0.837,1039 0.851,1040 4.443,1041 -0.121,1042 5.209,1043 2.136,1044 3.85,1045 4.554,1046 3.11,1047 6.038,1048 3.732,1049 5.685,1050 -0.729,1051 6.788,1052 -0.323,1053 3.611,1054 4.605,1056 7.402,1057 3.238,1058 7.038,1059 -1,1060 8.507,1061 -1.635,1062 5.525,1063 6.897,1064 5.44,1065 10.399,1066 5.178,1067 8.444,1068 -1,1069 10.319,1070 -2.347,1071 6.155,1072 7.806,1074 12.592,1075 5.478,1076 9.893,1077 -1,1078 12.191,1079 -2.347,1080 7.608,1081 9.624,1082 7.807,1083 15.244,1084 6.937,1085 11.375,1086 -1,1087 14.101,1088 -2.544,1089 8.598,1090 10.896,1092 17.672,1093 7.612,1094 12.881,1095 -1.683,1096 16.037,1097 -3,1098 9.891,1099 12.545,1100 10.177,1101 20.236,1102 8.854,1103 3.389,1104 -1.919,1105 17.989,1106 -4.789,1107 11.023,1108 13.974,1110 22.732,1111 9.715,1112 2.448,1113 12.506,1114 19.952,1115 -4.789,1116 12.264,1117 15.558,1118 12.548,1119 25.27,1120 10.857,1121 2,1122 6.963,1123 21.923,1124 4.704,1125 13.45,1126 17.055,1128 27.787,1129 11.814,1130 1.443,1131 5.19,1132 23.899,1133 3.421,1134 14.674,1135 18.616,1136 14.919,1137 30.317,1138 12.908,1139 1.172,1140 3.071,1141 25.879,1142 3.036,1143 15.881,1144 20.142,1146 32.84,1147 13.914,1148 1,1149 2.709,1150 27.862,1151 2.05,1152 17.102,1153 21.694,1154 17.29,1155 35.368,1156 14.988,1157 1,1158 2.136,1159 29.846,1160 1.753,1161 18.317,1162 23.232,1164 37.893,1165 16.02,1166 1938,1167 3400,1168 11.208,1169 20.125,1170 25.067,1171 26.702,1172 25.121,1173 25.039,1174 24.905,1175 35.926,1176 6.545,1177 69.42,1178 23.719,1179 5.67,1180 7.262,1181 7.109,1182 5.338,1183 5.389,1184 7.704,1185 6.545,1186 19.837,1187 4.898,1188 5.923,1189 1.475,1190 1.571,1191 1.478,1192 1.473,1193 1.465,1194 2.113,1195 0.385,1196 4.084,1197 1.395,1198 4.103,1199 4.078,1200 4.743,1201 4.122,1202 7.714,1203 4.022,1204 3.856,1205 3.885,1206 3.791,1207 3.805,1208 6.999,1209 3.793,1210 3.603,1211 3.587,1212 3.668,1213 3.55,1214 4.751,1215 3.476,1216 2.919,1217 2.965,1218 2.806,1219 2.811,1220 4.707,1221 2.789,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.729,1227 2.715,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 2.608,1235 2.662,1236 2.494,1237 2.47,1238 3.674,1239 2.447,1240 2.273,1241 2.378,1242 1.963,1243 1.982,1244 3.518,1245 1.948,1246 0.286,1247 0.31,1248 0.43,1249 0.25,1250 0.199,1251 4.854,1252 0.277,1253 5.262,1254 0.192,1255 7.307,1256 0.736,1257 4.253,1258 0.17,1259 3.389,1260 4.704,1261 3.272,1262 12.506,1263 2.898,1264 2.007,1265 2.019,1266 2.043,1267 2.056,1268 1.306,1269 2.104,1270 1.867,1271 1.84,1272 1.985,1273 1.943,1274 1.063,1275 1.964,1276 1.493,1277 1.511,1278 1.469,1279 1.602,1280 0.786,1281 1.662,1282 0.911,1283 0.87,1284 1.181,1285 1.074,1286 0.25,1287 1.111,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.886,1295 0.821,1296 1.075,1297 1.062,1298 0.218,1299 1.107,1300 0.59,1301 0.541,1302 0.892,1303 0.804,1305 0.846,1306 0.241,1307 0.153,1308 0.381,1309 0.607,1311 0.65,1312 3.555,1314 4.844,1316 6.344,1318 7.928,1320 9.554,1328 0.053,1340 18.778,1341 41.481,1342 64.167,1343 77.877,1344 101.096,1345 112.606,1346 114.606,1347 28.659,1348 5.677,1349 34.14,1350 42.52,1351 12,1352 11.707,1353 3.907,1354 3.17,1355 25.912,1356 39,1357 36,1358 0.329,1359 122.243,1360 207.19,1361 290.033,1362 1628,1364 11.433,1365 0.715,1366 0.595,1367 11.683,1368 9.522,1369 7.683,1370 0.452,1371 0.391,1372 5.119,1373 6.795,1374 4.835,1375 4.044,1376 8.505,1377 6.653,1378 7.032,1379 0.306,1380 0.241,1381 8.332,1382 5.547,1383 5.25,1384 0.194,1385 0.148,1386 6.354,1387 4.006,1388 4.186,1389 0.131,1390 0.09,1391 5.236,1392 2.875,1393 3.15,1394 0.087,1395 0.054,1396 4.01,1397 1.938,1398 0.495,1399 55.312,1400 0.299,1401 16.148,1402 0.959,1403 80,1404 240.331,1405 120.3,1406 257.289,1407 339.56,1408 234,1409 90,1410 214.068,1411 137.507,1412 253.651,1413 360.44,1414 236,1415 4}
{0 CHEMBL190060,1 1.459,2 17.974,3 5.577,4 31.1,5 152.163,6 7.574,7 0.535,8 4.328,9 4.427,10 3.913,11 3.893,12 5.455,13 3.878,14 4.849,15 4.999,16 4.258,17 4.265,18 5.976,19 4.236,20 5.074,21 5.244,22 4.304,23 4.392,24 6.162,25 4.334,26 5.151,27 5.359,28 4.224,29 4.371,30 6.186,31 4.289,32 5.087,33 5.287,34 4.176,35 4.331,36 6.117,37 4.246,38 5.127,39 5.349,40 4.159,41 4.301,42 6.143,43 4.215,44 5.047,45 5.252,46 4.093,47 4.252,48 6.086,49 4.172,50 4.977,51 5.179,52 3.997,53 4.199,54 5.997,55 4.103,56 0.026,57 0.903,58 13.301,59 6.526,60 8.541,61 7.954,62 0.4,63 1.48,64 25.516,65 10.521,66 36.362,67 13.188,68 0.423,69 1.757,70 33.721,71 13.964,72 52.053,73 17.407,74 0.602,75 1.883,76 38.894,77 14.94,78 67.866,79 19.269,80 0.381,81 1.785,82 35.369,83 14.194,84 54.446,85 18.289,86 0.52,87 1.819,88 38.751,89 14.745,90 67.966,91 19.273,92 0.561,93 1.699,94 35.226,95 13.2,96 65.025,97 16.672,98 0.411,99 1.588,100 32.102,101 12.646,102 55.956,103 16.213,104 20,105 59,106 0.226,107 0.543,108 0.737,109 0.861,110 0.899,111 0.908,112 3.692,113 0.897,114 -4.7,115 -4.62,116 -4.34,121 46.4,123 1,126 2,127 3,137 1,140 1,144 14,145 5,146 3,159 1,161 1,176 18,179 1,180 11,183 2,187 23,191 1,192 9,200 19,205 2,206 11,211 2,214 15,218 1,219 8,224 2,227 11,231 1,232 12,237 1,239 10,243 1,244 9,247 1,251 12,255 1,256 6,264 13,268 1,269 5,274 1,277 11,281 3307,282 26.679,283 26.679,284 26.679,285 26.679,286 26.679,287 23.553,288 27.381,289 15.919,290 27.199,291 21.214,292 21.214,293 21.214,294 21.214,295 21.214,296 16.341,297 35.595,298 7.554,299 21.987,300 4.65,301 2.608,302 1.356,303 0.555,304 0.312,305 0.254,306 4.4,312 1,313 1533,314 4.359,317 99.106,318 497.992,321 179.066,322 194.73,325 2.747,326 34.68,329 0.75,330 0.67,331 0.67,332 0.7,333 0.5,334 0.83,335 1,336 0.73,337 84,338 701,339 4.566,340 3.729,341 6.702,342 4.181,343 3.199,344 4.452,345 2.186,346 10.829,347 3.143,348 4.456,349 3.66,350 6.502,351 4.011,352 3.013,353 4.115,354 0.916,355 10.185,356 3.005,357 4.105,358 3.031,359 5.681,360 3.723,361 2.761,362 3.688,363 0.86,364 7.996,365 2.661,366 3.885,367 2.987,368 5.635,369 3.454,370 2.499,371 3.34,372 0.86,373 7.525,374 2.386,375 3.672,376 2.938,377 5.291,378 3.378,379 2.446,380 2.942,381 0.366,382 6.815,383 2.259,384 3.562,385 2.64,386 5.279,387 3.144,388 2.175,389 2.885,390 0.172,391 6.576,392 2.116,393 3.377,394 2.597,395 5.091,396 3.108,397 2.142,398 2.517,400 5.744,401 2.041,402 3.256,403 2.282,404 4.862,405 2.827,406 1.855,407 2.496,409 5.59,410 1.786,411 3.118,412 2.164,413 4.758,414 2.755,415 1.785,416 2.427,418 4.944,419 1.721,420 3.08,421 1.95,422 4.584,423 2.623,424 1.676,425 2.177,427 4.81,428 1.618,429 3.039,430 1.618,431 4.154,432 2.618,433 1.618,434 2.165,436 3.771,437 1.569,438 2.767,439 1.615,440 3.63,441 2.32,442 1.367,443 1.899,445 2.944,446 1.296,447 2.663,448 1.408,449 3.583,450 2.27,451 1.27,452 1.733,454 2.832,455 1.269,456 2.547,457 1.275,458 3.547,459 2.17,460 1.181,461 1.492,463 2.599,464 1.165,465 2.395,466 1.268,467 3.481,468 1.979,469 0.965,470 1.354,472 2.31,473 0.975,474 18.467,475 0.474,476 0.848,477 0.022,478 52.75,479 1.353,480 28,481 0.718,482 24.75,483 0.635,484 31.814,485 0.816,486 40.933,487 0.593,488 44.141,489 1.132,490 10.839,491 0.278,492 8.156,493 0.209,494 0.09,496 0.319,501 0.766,502 1.202,503 0.755,504 1.067,505 0.594,506 0.933,507 0.885,508 0.894,509 0.868,510 0.903,511 0.569,512 0.872,513 1.079,514 1.044,515 0.987,516 1.045,517 0.812,518 1.01,519 1.063,520 0.94,521 0.998,522 0.947,523 1.029,524 0.96,525 1.003,526 1.091,527 1.033,528 1.103,529 1.027,530 1.08,531 1.026,532 0.974,533 0.93,534 0.958,535 0.858,536 0.935,537 1.289,538 0.895,539 1.102,540 0.931,541 1.203,542 0.977,543 1.105,544 1.087,545 1.127,546 1.099,547 1.156,548 1.118,549 7.5,550 0.201,551 3.556,552 3.014,553 1.591,554 1.139,555 0.831,556 0.557,557 0.371,558 0.202,559 30206,560 80110,561 2.11,562 43.5,564 27,567 1,570 2,572 1.786,573 2,574 4.085,575 -0.434,582 100.672,583 1.459,584 3.5,585 4.752,586 5.554,587 5.797,588 5.855,589 3.526,590 5.08,591 5.257,592 4.303,593 3188.26,594 9.224,595 59680.5,600 421.488,601 1.309,602 5.228,603 0.174,604 0.006,605 0.06,606 0.05,607 0.029,608 0.022,609 0.017,610 0.012,611 0.009,612 0.005,613 0.386,614 0.17,615 0.75,616 0.879,617 225.625,618 -0.02,619 -0.11,620 0.058,621 -0.055,622 -0.046,623 0.003,624 0.086,625 0.188,626 0.04,627 0.074,628 0.103,629 0.06,630 -0.029,631 -0.054,632 -0.037,633 -0.046,634 0.038,635 -0.043,636 -0.01,637 0.038,638 -0.002,639 0.037,640 -0.021,641 0.022,642 -0.04,643 -0.107,644 -0.062,645 -0.112,646 -0.067,647 -0.095,648 0.009,649 -0.016,650 0.083,651 0.029,652 0.049,653 0.062,654 -0.127,655 0.094,656 -0.094,657 0.042,658 -0.1,659 -0.011,660 -0.088,661 -0.109,662 -0.145,663 -0.111,664 -0.116,665 -0.136,666 2.156,667 5.956,668 0.641,669 56.661,670 1.003,671 1.114,672 3.469,673 12.036,674 0.68,675 3.784,676 4.094,677 4.357,678 4.625,679 4.836,680 4.905,681 5.05,682 5.187,683 5.242,684 5.293,685 10.378,686 0.652,687 522.64,688 3.784,689 5.323,690 6.168,691 7.04,692 7.901,693 8.78,694 9.65,695 10.534,696 11.409,697 12.297,698 2.9,701 1,705 1,714 2,715 14,720 6,722 23,727 1,737 1,739 2,741 69,743 26,744 4,745 43,747 73,748 32,749 22,750 8,751 14,752 3,756 5,757 7,770 1,772 26,773 6,777 3,782 2,784 1,786 3,793 30,794 7,795 1,796 7,802 2,808 0.6,809 5,828 1,829 4,832 1,833 1,849 2,855 1,859 3,864 2,868 39,876 4,877 1,878 3,881 1,893 7.2,896 2,898 3,901 19.5,902 13.033,903 8.639,904 4.081,907 5.133,908 1.587,909 0.993,910 8.378,911 13.878,912 4.069,913 4.659,914 5.242,915 5.832,916 6.394,917 6.668,918 7.072,919 7.485,920 7.849,921 8.109,922 0.917,923 60,924 14.426,926 6.101,927 0.026,929 7.739,931 27.506,933 22.318,936 2.239,937 87.333,941 341.362,942 217.847,943 21.135,945 83.29,948 217.847,949 424.651,950 21.135,951 16.793,952 29.349,953 142.144,954 60.667,955 66.557,956 6.763,957 341.362,959 341.362,960 238.982,961 83.29,964 317.82,965 106.832,968 32.473,969 191.789,970 14.72,972 341.362,973 104.425,974 217.847,977 341.362,978 58.911,979 162.061,980 18.011,981 83.29,982 341.362,983 104.425,984 217.847,986 0.575,987 0.333,988 0.181,989 0.098,990 27,991 12,992 0.137,993 10,994 2,995 1.16,996 5.109,997 366.874,998 0.16,999 25,1000 204.131,1005 26.638,1006 12.266,1007 6.55,1008 2.179,1009 104.425,1010 26.9,1015 4.213,1017 18.011,1018 663.634,1019 57.5,1024 24.389,1026 1.807,1028 -0.308,1031 69.211,1032 76.856,1034 0.239,1035 0.573,1036 0.778,1037 0.909,1038 0.949,1039 0.958,1040 5.297,1041 1.855,1042 6.138,1043 5.744,1044 4.779,1045 5.347,1046 2.639,1047 6.925,1048 4.715,1049 6.496,1050 1.785,1051 7.677,1052 5.59,1053 4.29,1054 5.103,1055 1.847,1056 7.756,1057 4.204,1058 7.796,1059 1.676,1060 9.315,1061 4.944,1062 6.347,1063 7.539,1064 3.582,1065 10.865,1066 6.232,1067 9.131,1068 1.618,1069 11.013,1070 4.81,1071 6.686,1072 8.131,1073 3.603,1074 12.56,1075 6.559,1076 10.499,1077 1.367,1078 12.75,1079 3.771,1080 8.193,1081 10.037,1082 4.922,1083 15.18,1084 8.046,1085 11.891,1086 1.27,1087 14.515,1088 2.944,1089 8.938,1090 11.051,1091 5.291,1092 17.254,1093 8.785,1094 13.303,1095 1.181,1096 16.303,1097 2.832,1098 10.216,1099 12.721,1100 6.39,1101 19.705,1102 10.048,1103 3.199,1104 0.965,1105 18.108,1106 2.599,1107 11.163,1108 13.957,1109 6.93,1110 21.944,1111 10.99,1112 3.013,1113 10.829,1114 19.928,1115 2.31,1116 12.347,1117 15.517,1118 7.902,1119 24.336,1120 12.163,1121 2.761,1122 10.185,1123 21.759,1124 4.452,1125 13.392,1126 16.868,1127 8.539,1128 26.645,1129 13.201,1130 2.499,1131 7.996,1132 23.601,1133 4.115,1134 14.541,1135 18.377,1136 9.436,1137 29.018,1138 14.34,1139 2.446,1140 7.525,1141 25.45,1142 3.688,1143 15.634,1144 19.787,1145 10.13,1146 31.358,1147 15.423,1148 2.175,1149 6.815,1150 27.307,1151 3.34,1152 16.771,1153 21.274,1154 10.981,1155 33.724,1156 16.551,1157 2.142,1158 6.576,1159 29.169,1160 2.942,1161 17.888,1162 22.716,1163 11.71,1164 36.078,1165 17.656,1166 28234,1167 46143,1168 29.126,1169 46.943,1170 63.684,1171 66.196,1172 65.361,1173 63.189,1174 63.219,1175 83.503,1176 10.723,1177 178.169,1178 61.158,1179 5.501,1180 5.729,1181 6.391,1182 5.271,1183 5.199,1184 7.452,1185 3.889,1186 17.97,1187 5.143,1188 17.955,1189 1.481,1190 1.539,1191 1.52,1192 1.47,1193 1.47,1194 1.942,1195 0.249,1196 4.143,1197 1.422,1198 4.112,1199 4.127,1200 4.071,1201 4.069,1202 7.435,1203 4.066,1204 3.974,1205 3.988,1206 3.935,1207 3.89,1208 7.427,1209 3.899,1210 3.934,1211 3.956,1212 3.876,1213 3.853,1214 4.956,1215 3.854,1216 3.681,1217 3.741,1218 3.563,1219 3.502,1220 4.861,1221 3.506,1222 3.546,1223 3.593,1224 3.473,1225 3.445,1226 4.813,1227 3.44,1228 3.518,1229 3.563,1230 3.424,1231 3.286,1232 4.565,1233 3.292,1234 3.412,1235 3.454,1236 3.318,1237 3.215,1238 4.339,1239 3.258,1240 3.303,1241 3.367,1242 3.144,1243 3.117,1244 4.315,1245 3.114,1246 0.106,1247 0.087,1248 0.156,1249 0.097,1250 0.074,1251 4.566,1252 0.104,1253 3.729,1254 0.051,1255 6.702,1256 0.252,1257 4.181,1258 0.073,1259 3.199,1260 4.452,1261 2.186,1262 10.829,1263 3.143,1264 2.082,1265 2.065,1266 2.161,1267 2.13,1268 1.302,1269 2.142,1270 1.911,1271 1.885,1272 2.033,1273 2.026,1274 1.254,1275 2.029,1276 1.867,1277 1.854,1278 1.957,1279 1.966,1280 1.12,1281 1.961,1282 1.642,1283 1.579,1284 1.871,1285 1.845,1286 1.054,1287 1.853,1288 1.557,1289 1.534,1290 1.7,1291 1.732,1292 0.782,1293 1.718,1294 1.405,1295 1.36,1296 1.691,1297 1.681,1298 0.756,1299 1.68,1300 1.384,1301 1.334,1302 1.631,1303 1.574,1304 0.681,1305 1.595,1306 1.314,1307 1.236,1308 1.518,1309 1.522,1310 0.576,1311 1.524,1312 4.466,1314 5.778,1315 2.398,1316 7.279,1317 4.844,1318 8.869,1319 7.018,1320 10.508,1322 3.56,1328 2.869,1329 2.442,1330 17.106,1333 2.178,1340 44.992,1341 100.672,1342 241.524,1343 327.921,1344 383.224,1345 399.978,1346 403.978,1347 70.594,1348 8.746,1349 81.01,1350 81.01,1351 29,1352 12.83,1353 4.755,1354 3.954,1355 62.102,1356 247,1357 245,1358 0.119,1359 273.345,1360 485.75,1361 658.721,1362 105303,1364 27.192,1365 0.697,1366 0.564,1367 27.192,1368 21.977,1369 18.996,1370 0.442,1371 0.299,1372 12.681,1373 18.293,1374 12.345,1375 10.274,1376 18.996,1377 12.859,1378 16.866,1379 0.286,1380 0.159,1381 16.866,1382 9.393,1383 14.122,1384 0.183,1385 0.084,1386 14.122,1387 6.47,1388 11.806,1389 0.117,1390 0.045,1391 11.806,1392 4.555,1393 9.486,1394 0.076,1395 0.024,1396 9.486,1397 3.016,1398 0.197,1399 118.924,1400 0.185,1401 36.354,1402 0.298,1403 204,1404 614.656,1405 223.743,1406 585.757,1407 802.49,1408 550,1409 238,1410 591.442,1411 257.222,1412 597.032,1413 873.67,1414 561,1415 5.164}
{0 CHEMBL190152,1 1.451,2 12.548,3 2.43,4 5.902,5 121.406,6 6.8,7 0.353,8 4.204,9 4.329,10 3.7,11 3.72,12 5.191,13 3.685,14 4.799,15 4.992,16 4.018,17 4.121,18 5.724,19 4.058,20 5.089,21 5.316,22 4.077,23 4.318,24 5.987,25 4.207,26 5.166,27 5.408,28 3.998,29 4.338,30 6.033,31 4.191,32 5.221,33 5.496,34 4.029,35 4.3,36 6.153,37 4.165,38 5.111,39 5.362,40 4.051,41 4.284,42 6.019,43 4.17,44 5.091,45 5.321,46 4.072,47 4.276,48 6.096,49 4.169,50 5.11,51 5.358,52 3.962,53 4.13,54 6.217,55 4.029,56 0.025,57 0.889,58 14.109,59 5.883,60 6.734,61 8.151,62 0.36,63 1.476,64 27.503,65 9.317,66 24.689,67 13.522,68 0.583,69 1.826,70 37.526,71 13.409,72 45.533,73 19.036,74 0.302,75 1.888,76 40.2,77 15.328,78 50.404,79 21.774,80 0.631,81 1.939,82 43.977,83 14.561,84 94.38,85 21.567,86 0.526,87 1.825,88 38.747,89 13.276,90 51.961,91 19.321,92 0.276,93 1.763,94 37.375,95 13.746,96 50.955,97 19.395,98 0.594,99 1.647,100 39.835,101 12.546,102 95.153,103 17.808,104 5,105 45,106 0.234,107 0.487,108 0.644,109 0.739,110 0.764,111 0.78,112 3.472,113 0.985,114 -3.32,115 -3.31,116 -3.17,121 40.3,123 1,124 1,127 9,144 10,145 2,160 2,176 15,179 2,180 1,187 19,191 5,192 1,200 18,206 3,214 14,218 2,219 7,227 12,231 3,232 8,239 8,244 10,251 4,255 1,256 13,264 1,268 2,269 11,281 1688,282 21.397,283 21.397,284 21.397,285 21.397,286 21.397,287 19.683,288 26.063,289 13.089,290 21.828,291 16.82,292 16.82,293 16.82,294 16.82,295 16.82,296 14.279,297 34.171,298 6.263,299 17.452,300 4.503,301 2.94,302 1.967,303 1.379,304 1.226,305 1.129,306 4.172,311 1,312 1,313 846,314 3.24,318 471.786,325 2.266,326 28.811,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 66.5,338 389,339 4.25,340 3.887,341 6.5,342 4.019,343 3.031,344 3.727,345 2.058,346 10.18,347 3.01,348 4.138,349 3.528,350 6.249,351 3.935,352 2.965,353 3.313,354 1.909,355 9.364,356 2.853,357 3.736,358 3.343,359 5.744,360 3.462,361 2.538,362 3.298,363 0.86,364 7.611,365 2.353,366 3.641,367 2.889,368 5.332,369 3.321,370 2.369,371 2.779,372 0.8,373 6.918,374 2.278,375 3.495,376 2.412,377 5.247,378 3.278,379 2.278,380 2.507,381 0.767,382 6.4,383 2.241,384 3.14,385 2.361,386 4.556,387 2.777,388 1.772,389 2.364,390 0.68,391 4.709,392 1.773,393 2.893,394 2.184,395 4.204,396 2.672,397 1.684,398 1.908,399 0.397,400 3.951,401 1.651,402 2.781,403 2.053,404 3.759,405 2.389,406 1.502,407 1.89,409 3.206,410 1.328,411 2.549,412 1.765,413 3.58,414 2.317,415 1.317,416 1.535,418 2.88,419 1.317,420 2.5,421 1.38,422 3.555,423 2.152,424 1.176,425 1.5,427 2.768,428 1.135,429 2.5,430 1.256,431 3.373,432 2,433 1,434 1.5,436 2.136,437 1,438 2.375,439 1.091,440 3.247,441 2,442 1,443 1.333,445 2.136,446 1,447 2.087,448 1,449 3.247,450 1.952,451 1,452 1,454 2.136,455 0.946,456 2,457 1,458 3.247,459 1.802,460 0.821,461 0.948,463 2.052,464 0.798,465 1.523,466 0.909,467 3.016,468 1.365,469 0.39,470 0.426,472 0.955,473 0.377,474 14.7,475 0.474,476 0.554,477 0.018,478 35.25,479 1.137,480 15,481 0.484,482 20.25,483 0.653,484 28.763,485 0.928,486 34.5,487 0.556,488 27.661,489 0.892,490 7.21,491 0.233,492 7.993,493 0.258,494 0.045,496 0.252,501 0.715,502 1.512,503 0.849,504 1.241,505 0.515,506 1.088,507 1.097,508 1.094,509 1.071,510 0.983,511 0.641,512 1,513 0.99,514 0.877,515 1.1,516 0.977,517 0.992,518 1.039,519 0.853,520 1.183,521 1.047,522 1.195,523 1.175,524 1.163,525 0.941,526 0.891,527 0.904,528 0.836,529 1.022,530 0.858,531 0.964,532 0.869,533 0.976,534 0.885,535 1.034,536 0.918,537 1.007,538 1.152,539 0.98,540 1.147,541 1.284,542 1.074,543 1.54,544 0.986,545 1.043,546 0.957,547 1.914,548 0.938,549 4.5,550 0.062,551 3.111,552 1.563,553 1.218,554 0.743,555 0.647,556 0.526,557 0.402,558 0.199,559 13998,560 32226,561 2.123,562 50,563 1,564 28,569 2,572 1.737,573 2.044,574 3.573,575 -0.799,577 1,582 89.974,583 1.451,584 3.014,585 3.987,586 4.575,587 4.728,588 4.825,589 3.042,590 3.87,591 4.924,592 3.793,593 1763.81,594 8.602,595 25926.5,597 1,600 369.16,601 1.14,602 4.91,603 0.132,604 0.003,605 0.069,606 0.034,607 0.03,608 0.017,609 0.014,610 0.012,611 0.011,612 0.007,613 0.33,614 0.5,615 1,616 0.415,617 162.725,618 0.014,619 -0.272,620 0.074,621 -0.108,622 0.009,623 -0.027,624 -0.053,625 0.075,626 -0.085,627 0.019,628 -0.024,629 -0.026,630 0.015,631 0.183,632 -0.118,633 0.019,634 -0.056,635 -0.056,636 -0.034,637 -0.21,638 -0.093,639 -0.169,640 -0.075,641 -0.147,642 0.045,643 0.063,644 0.091,645 0.113,646 0.072,647 0.109,648 0.001,649 0.153,650 0.01,651 0.087,652 -0.05,653 0.056,654 -0.022,655 -0.154,656 -0.004,657 -0.132,658 -0.011,659 -0.074,660 -0.053,661 -0.052,662 0.005,663 -0.018,664 -0.016,666 1.624,667 5.785,668 0.774,669 33.65,670 0.994,671 1.128,672 2.095,673 4.387,674 0.646,675 3.555,676 3.829,677 4.078,678 4.29,679 4.511,680 4.466,681 4.575,682 4.673,683 4.762,684 4.812,685 7.524,686 0.606,687 421.59,688 3.555,689 5.069,690 5.9,691 6.749,692 7.595,693 8.45,694 9.303,695 10.161,696 11.018,697 11.878,698 4.8,701 1,705 2,715 10,720 2,722 12,741 62,743 14,744 2,745 34,747 65,748 25,749 12,750 2,751 10,756 4,757 4,770 1,772 14,773 11,774 1,777 2,782 2,786 2,790 1,793 31,794 6,796 6,802 3,808 1,809 3,829 4,844 2,855 1,858 1,859 4,868 31,876 10,878 1,880 1,881 3,893 4.8,896 2,897 1,901 15.167,902 10.767,903 6.944,904 3.856,907 1.369,908 1.185,909 0.966,910 7.604,911 8.753,912 3.761,913 4.205,914 4.63,915 5.051,916 5.503,917 5.417,918 5.746,919 6.041,920 6.249,921 6.443,922 1,923 46,924 11.585,926 4.9,927 0.026,929 7.645,931 22.612,933 18.767,936 2.145,937 66.5,940 1,941 364.904,942 137.002,943 9.373,945 61.29,948 137.002,949 426.194,950 9.373,952 32.708,953 94.762,954 70.699,955 9.495,957 364.904,959 364.904,960 146.375,961 61.29,964 341.362,965 73.832,966 11,968 35.832,969 110.543,972 364.904,973 70.663,974 137.002,977 364.904,978 42.24,979 104.135,981 61.29,982 364.904,983 70.663,984 137.002,986 0.567,987 0.33,988 0.178,989 0.099,990 20,991 8,992 0.123,993 8,995 1,996 4.346,997 270.776,999 24,1000 129.58,1005 21.853,1006 10.786,1007 5.868,1009 70.663,1010 20.763,1015 2.466,1018 572.569,1019 42,1024 25.482,1028 0.088,1031 61.658,1032 69.936,1034 0.244,1035 0.506,1036 0.67,1037 0.768,1038 0.794,1039 0.81,1040 4.984,1041 1.502,1042 5.844,1043 3.951,1044 4.511,1045 4.89,1046 2.935,1047 6.594,1048 4.447,1049 6.108,1050 1.317,1051 7.361,1052 3.206,1053 3.892,1054 4.331,1055 2.301,1056 7.38,1057 3.808,1058 7.357,1059 1.176,1060 8.983,1061 2.88,1062 6.038,1063 6.815,1064 3.807,1065 10.479,1066 5.913,1067 8.635,1068 1,1069 10.67,1070 2.768,1071 6.293,1072 7.065,1073 3.891,1074 12.139,1075 6.157,1076 9.948,1077 1,1078 12.4,1079 2.136,1080 7.849,1081 9.025,1082 4.999,1083 14.723,1084 7.675,1085 11.283,1086 1,1087 14.16,1088 2.136,1089 8.525,1090 9.663,1091 5.387,1092 16.737,1093 8.345,1094 12.638,1095 0.821,1096 15.94,1097 2.136,1098 9.821,1099 11.381,1100 6.302,1101 19.141,1102 9.61,1103 3.031,1104 0.39,1105 17.735,1106 2.052,1107 10.708,1108 12.236,1109 6.836,1110 21.31,1111 10.491,1112 2.965,1113 10.18,1114 19.54,1115 0.955,1116 11.886,1117 13.816,1118 7.653,1119 23.648,1120 11.646,1121 2.538,1122 9.364,1123 21.355,1124 3.727,1125 12.879,1126 14.809,1127 8.263,1128 25.887,1129 12.632,1130 2.369,1131 7.611,1132 23.176,1133 3.313,1134 14.007,1135 16.301,1136 9.027,1137 28.2,1138 13.741,1139 2.278,1140 6.918,1141 25.003,1142 3.298,1143 15.052,1144 17.388,1145 9.681,1146 30.473,1147 14.778,1148 1.772,1149 6.4,1150 26.834,1151 2.779,1152 16.158,1153 18.82,1154 10.417,1155 32.779,1156 15.87,1157 1.684,1158 4.709,1159 28.67,1160 2.507,1161 17.229,1162 19.973,1163 11.094,1164 35.067,1165 16.931,1166 13178,1167 20096,1168 23.345,1169 40.04,1170 50.326,1171 51.393,1172 50.385,1173 49.869,1174 49.796,1175 60.189,1176 14.941,1177 135.071,1178 48.233,1179 5.25,1180 5.887,1181 6.302,1182 5.123,1183 5.031,1184 6.727,1185 3.571,1186 16.914,1187 5.01,1188 10.02,1189 1.48,1190 1.512,1191 1.482,1192 1.467,1193 1.465,1194 1.77,1195 0.439,1196 3.973,1197 1.419,1198 4.018,1199 4.053,1200 3.947,1201 3.957,1202 7.434,1203 3.95,1204 3.882,1205 3.933,1206 3.807,1207 3.753,1208 7.42,1209 3.743,1210 3.808,1211 3.841,1212 3.729,1213 3.671,1214 4.805,1215 3.696,1216 3.769,1217 3.826,1218 3.658,1219 3.546,1220 4.688,1221 3.564,1222 3.488,1223 3.557,1224 3.35,1225 3.331,1226 4.627,1227 3.324,1228 3.305,1229 3.369,1230 3.16,1231 3.116,1232 4.197,1233 3.114,1234 3.167,1235 3.206,1236 3.081,1237 2.941,1238 4.044,1239 2.959,1240 3.111,1241 3.187,1242 2.868,1243 2.933,1244 3.852,1245 2.91,1246 0.125,1247 0.114,1248 0.191,1249 0.118,1250 0.089,1251 4.25,1252 0.11,1253 3.887,1254 0.061,1255 6.5,1256 0.299,1257 4.019,1258 0.089,1259 3.031,1260 3.727,1261 2.058,1262 10.18,1263 3.01,1264 1.993,1265 1.967,1266 2.113,1267 2.077,1268 1.366,1269 2.088,1270 1.824,1271 1.794,1272 1.978,1273 2.023,1274 1.275,1275 2.013,1276 1.791,1277 1.734,1278 1.961,1279 1.942,1280 1.118,1281 1.928,1282 1.697,1283 1.64,1284 1.888,1285 1.905,1286 1.01,1287 1.926,1288 1.48,1289 1.417,1290 1.731,1291 1.683,1292 0.987,1293 1.702,1294 1.288,1295 1.222,1296 1.569,1297 1.513,1298 0.825,1299 1.535,1300 1.153,1301 1.064,1302 1.513,1303 1.376,1304 0.82,1305 1.429,1306 1.085,1307 1.045,1308 1.376,1309 1.342,1310 0.619,1311 1.344,1312 4.234,1314 5.517,1316 7.004,1318 8.578,1320 10.195,1328 6.404,1330 5.371,1332 0.199,1333 5.727,1340 37.584,1341 89.974,1342 186.873,1343 247.212,1344 283.65,1345 293.16,1346 299.16,1347 60.97,1348 7.383,1349 53.09,1350 53.09,1351 24,1352 12.429,1353 3.907,1354 3.17,1355 49.455,1356 140,1357 147,1358 0.169,1359 229.958,1360 408.07,1361 552.857,1362 16066,1364 21.468,1365 0.693,1366 0.58,1367 21.468,1368 17.988,1369 15.204,1370 0.447,1371 0.328,1372 11.004,1373 14.624,1374 10.796,1375 8.848,1376 15.204,1377 11.16,1378 13.065,1379 0.29,1380 0.183,1381 13.065,1382 8.247,1383 11.01,1384 0.19,1385 0.108,1386 11.01,1387 6.239,1388 8.922,1389 0.124,1390 0.061,1391 8.922,1392 4.379,1393 7.361,1394 0.082,1395 0.034,1396 7.361,1397 3.085,1398 0.269,1399 95.138,1400 0.207,1401 29.49,1402 0.453,1403 158,1404 432.142,1405 172.218,1406 409.584,1407 549.44,1408 386,1409 182,1410 382.656,1411 197.109,1412 386.178,1413 562.22,1414 364,1415 4.699}
{0 CHEMBL190322,1 1.632,2 7.158,3 2.156,4 4.648,5 77.464,6 7.525,7 0.286,8 3.714,9 3.829,10 3.357,11 3.277,12 4.715,13 3.218,14 4.302,15 4.482,16 3.743,17 3.718,18 5.297,19 3.623,20 4.534,21 4.726,22 3.869,23 3.896,24 5.419,25 3.766,26 4.627,27 4.847,28 3.779,29 3.881,30 5.513,31 3.722,32 4.48,33 4.691,34 3.617,35 3.718,36 5.424,37 3.569,38 4.384,39 4.627,40 3.286,41 3.509,42 5.279,43 3.337,44 4.186,45 4.432,46 2.808,47 3.158,48 5.143,49 2.991,50 3.834,51 4.113,52 2.552,53 2.806,54 4.755,55 2.658,56 0.01,57 0.55,58 8.597,59 3.792,60 5.43,61 4.768,62 0.335,63 0.928,64 19.088,65 6.745,66 28.06,67 8.519,68 0.163,69 1.108,70 24.349,71 9.271,72 21.492,73 11.434,74 0.274,75 1.171,76 30.569,77 10.176,78 32.222,79 12.35,80 0.268,81 1.004,82 25.039,83 8.394,84 26.352,85 10.578,86 0.143,87 0.869,88 22.749,89 7.71,90 23.889,91 9.761,92 0.386,93 0.656,94 19.056,95 5.462,96 36.129,97 6.786,98 0.086,99 0.474,100 11.079,101 3.608,102 15.504,103 5.211,104 13,105 30,106 0.301,107 0.637,108 0.829,109 0.883,110 0.883,111 0.883,112 3.012,113 1.078,114 -3.22,115 -3.21,116 -3.09,121 37.8,123 1,124 1,126 2,127 2,129 1,144 3,145 1,146 2,161 1,176 4,179 1,180 4,183 2,187 5,192 4,200 6,206 4,211 1,214 3,218 1,219 5,224 3,227 2,232 2,237 1,239 1,243 1,244 1,247 1,249 1,256 1,261 1,281 378,282 12.939,283 12.939,284 12.939,285 12.939,286 12.939,287 12.057,288 16.853,289 7.486,290 13.392,291 10.287,292 10.287,293 10.287,294 10.287,295 10.287,296 8.846,297 18.825,298 3.447,299 10.966,300 3.577,301 1.752,302 0.71,303 0.419,304 0.419,305 0.419,306 3.689,310 1,311 1,312 1,313 292,314 2.828,317 31.001,318 67.422,321 51.565,322 58.019,325 1.13,326 14.027,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 41,338 136,339 4.496,340 4.492,341 6.945,342 4.234,343 3.277,344 4.082,345 2.95,346 11.722,347 3.137,348 3.947,349 3.653,350 6.238,351 3.709,352 2.773,353 3.103,354 2.186,355 9.24,356 2.59,357 3.586,358 3.317,359 5.274,360 3.233,361 2.284,362 2.749,363 0.916,364 6.434,365 2.144,366 3.134,367 3.025,368 4.984,369 2.867,370 1.929,371 2.289,372 0.366,373 5.574,374 1.808,375 2.976,376 2.261,377 4.797,378 2.743,379 1.789,380 2.107,381 0.172,382 5.026,383 1.687,384 2.81,385 2.102,386 4.214,387 2.432,388 1.486,389 1.844,391 3.698,392 1.393,393 2.128,394 1.623,395 3.763,396 1.953,397 1.029,398 1.105,400 2.608,401 0.938,402 1.851,403 1.284,404 3.312,405 1.69,406 0.781,407 0.822,409 1.829,410 0.695,411 1.507,412 1.098,413 2.907,414 1.296,415 0.383,416 0.409,418 0.587,419 0.344,420 1.243,421 0.777,422 2.516,423 0.843,424 -0.113,425 -0.139,427 -0.248,428 -0.105,429 0.776,430 0.465,431 2.364,432 0.503,433 -0.42,434 -0.451,436 -1.024,437 -0.382,438 0.648,439 -0.039,440 2.266,441 0.342,442 -0.604,443 -0.729,445 -1.624,446 -0.557,447 0.406,448 -0.432,449 2,450 0.03,451 -0.952,452 -1.12,454 -2.36,455 -0.918,456 -0.037,457 -0.774,458 1.836,459 -0.203,460 -1.142,461 -1.35,463 -3.042,464 -1.07,465 -0.197,466 -0.94,467 1.595,468 -0.445,469 -1.408,470 -1.721,472 -3.256,473 -1.371,474 9.3,475 0.489,476 0.469,477 0.025,478 21,479 1.105,480 8.5,481 0.447,482 12.5,483 0.658,484 16.771,485 0.883,486 21.3,487 0.576,488 12.985,489 0.683,490 3.817,491 0.201,492 5.386,493 0.283,494 0.143,496 0.366,501 0.787,502 1.332,503 0.762,504 1.019,505 0.563,506 0.992,507 0.687,508 0.844,509 0.98,510 0.878,511 0.402,512 0.852,513 0.864,514 1.078,515 0.933,516 1.068,517 0.641,518 1.039,519 1.102,520 1.046,521 1.213,522 1.136,523 0.964,524 1.002,525 0.951,526 1.171,527 1.117,528 1.224,529 0.909,530 1.152,531 0.904,532 1.223,533 1.127,534 1.253,535 0.943,536 1.155,537 1.816,538 0.83,539 1.311,540 0.954,541 1.898,542 1.055,543 0.87,544 1.2,545 0.661,546 0.923,547 1.316,548 1.049,549 3.5,551 2.444,552 1.535,553 1.098,554 0.583,555 0.342,556 0.246,557 0.108,558 0.025,559 2910,560 7370,561 2.081,562 48.6,564 14,567 1,569 2,570 1,572 1.608,573 1.932,574 2.848,575 -0.249,577 1,579 1,582 60.388,583 1.632,584 3.458,585 4.5,586 4.79,587 4.79,588 4.79,589 2.268,590 4.143,591 4.219,592 2.955,593 505.318,594 7.212,595 4788.83,596 1,597 1,599 1,600 192.75,601 1.462,602 4.171,603 0.167,605 0.081,606 0.05,607 0.039,608 0.025,609 0.02,610 0.025,611 0.013,612 0.008,613 0.429,614 0.67,615 1,616 1.315,617 80.313,618 -0.027,619 -0.148,620 0.082,621 -0.003,622 -0.009,623 0.013,624 0.234,625 0.301,626 0.035,627 0.16,628 0.222,629 0.126,630 -0.021,631 -0.048,632 0.058,633 -0.015,634 0.038,635 -0.027,636 -0.103,637 -0.046,638 -0.051,639 -0.018,640 -0.044,641 0.006,642 0.017,643 -0.178,644 -0.079,645 -0.18,646 -0.024,647 -0.158,648 -0.009,649 -0.284,650 -0.107,651 -0.245,652 -0.019,653 -0.165,654 -0.238,655 0.079,656 -0.31,657 -0.056,658 -0.289,659 -0.159,660 0.024,661 -0.333,662 0.039,663 -0.183,664 0.023,665 -0.128,666 2.073,667 4.406,668 0.684,669 11.657,670 1,671 1.126,672 1.994,673 3.978,674 0.666,675 3.091,676 3.434,677 3.761,678 4.078,679 4.304,680 4.394,681 4.533,682 4.673,683 4.625,684 4.454,685 4.393,686 0.618,687 278.41,688 3.091,689 4.635,690 5.509,691 6.412,692 7.31,693 8.221,694 9.128,695 10.043,696 10.953,697 11.87,698 5.4,701 1,705 1,715 3,720 3,722 6,737 1,741 37,743 7,744 1,745 21,747 39,748 14,749 6,750 3,751 3,756 3,757 6,767 2,768 1,770 2,772 7,773 7,774 1,777 1,782 1,786 1,789 1,790 1,793 18,794 4,795 1,796 5,797 1,802 2,808 0.333,809 2,825 1,828 1,829 2,832 1,833 1,855 1,859 1,860 1,862 1,864 2,868 19,876 3,877 1,878 1,879 1,880 2,881 1,893 5.4,896 1,898 1,901 9.833,902 7.117,903 4.222,904 2.221,907 1.375,908 1.202,909 0.96,910 3.629,911 8.19,912 3.258,913 3.773,914 4.273,915 4.799,916 5.277,917 5.47,918 5.751,919 6.042,920 6.106,921 6.04,922 0.8,923 31,924 7.046,926 2.992,927 0.026,929 7.64,931 13.806,933 11.72,936 2.14,937 40.667,938 0.002,941 200.109,942 99.723,943 21.135,945 36.145,947 32.22,948 67.504,949 236.254,950 21.135,951 16.793,952 23.551,953 28.429,954 25.145,955 24.104,956 6.763,957 232.328,959 200.109,960 88.639,961 36.145,962 32.22,964 164.795,965 71.458,968 26.675,969 61.964,971 32.22,972 200.109,973 57.28,974 99.723,977 200.109,978 54.502,979 48.346,980 18.011,981 36.145,982 200.109,983 57.28,984 99.723,986 0.582,987 0.355,988 0.196,989 0.108,990 16,991 7,992 0.051,993 2,994 2,995 1.308,996 3.058,997 146.534,998 0.308,999 13,1000 80.711,1001 1,1005 13.129,1006 5.252,1007 2.318,1009 57.28,1010 6.014,1015 3.115,1017 18.011,1018 357.112,1019 25,1024 11.406,1028 -0.407,1031 37.003,1032 41.657,1034 0.313,1035 0.664,1036 0.864,1037 0.92,1038 0.92,1039 0.92,1040 4.527,1041 0.781,1042 5.509,1043 2.608,1044 4.111,1045 4.454,1046 3.348,1047 6.375,1048 3.99,1049 5.698,1050 0.383,1051 7.101,1052 1.829,1053 3.761,1054 4.27,1055 1.847,1056 7.405,1057 3.61,1058 7.001,1059 -0.113,1060 8.796,1061 0.587,1062 5.746,1063 6.506,1064 5.222,1065 10.554,1066 5.523,1067 8.337,1068 -0.42,1069 10.553,1070 -0.248,1071 6.236,1072 7.142,1073 3.603,1074 12.445,1075 5.979,1076 9.708,1077 -0.604,1078 12.351,1079 -1.024,1080 7.7,1081 8.903,1082 7.282,1083 15.124,1084 7.389,1085 11.103,1086 -0.952,1087 14.178,1088 -1.624,1089 8.574,1090 9.923,1091 5.291,1092 17.354,1093 8.225,1094 12.517,1095 -1.142,1096 16.027,1097 -2.36,1098 9.845,1099 11.498,1100 9.398,1101 19.881,1102 9.451,1103 3.277,1104 -1.408,1105 17.892,1106 -3.042,1107 10.89,1108 12.705,1109 6.93,1110 22.245,1111 10.455,1112 2.773,1113 11.722,1114 19.77,1115 -3.256,1116 12.091,1117 14.197,1118 11.538,1119 24.721,1120 11.617,1121 2.284,1122 9.24,1123 21.657,1124 4.082,1125 13.21,1126 15.498,1127 8.539,1128 27.139,1129 12.695,1130 1.929,1131 6.434,1132 23.553,1133 3.103,1134 14.391,1135 16.949,1136 13.689,1137 29.6,1138 13.836,1139 1.789,1140 5.574,1141 25.456,1142 2.749,1143 15.542,1144 18.3,1145 10.13,1146 32.04,1147 14.946,1148 1.486,1149 5.026,1150 27.363,1151 2.289,1152 16.718,1153 19.73,1154 15.846,1155 34.498,1156 16.082,1157 1.029,1158 3.698,1159 29.275,1160 2.107,1161 17.885,1162 21.106,1163 11.71,1164 36.948,1165 17.207,1166 2916,1167 4736,1168 13.929,1169 24.659,1170 31.545,1171 35.168,1172 33.437,1173 31.431,1174 31.461,1175 37.02,1176 13.183,1177 93.436,1178 29.471,1179 5.454,1180 6.492,1181 6.498,1182 5.382,1183 5.277,1184 7.082,1185 5.9,1186 19.207,1187 5.137,1188 9.039,1189 1.502,1190 1.675,1191 1.592,1192 1.497,1193 1.498,1194 1.763,1195 0.628,1196 4.449,1197 1.403,1198 4.032,1199 4.062,1200 4.116,1201 3.981,1202 7.435,1203 3.958,1204 3.726,1205 3.768,1206 3.636,1207 3.595,1208 4.797,1209 3.594,1210 3.518,1211 3.582,1212 3.469,1213 3.207,1214 4.38,1215 3.252,1216 3.261,1217 3.342,1218 3.408,1219 3.161,1220 4.246,1221 3.083,1222 3.034,1223 3.116,1224 2.876,1225 2.876,1226 4.018,1227 2.847,1228 3.024,1229 3.069,1230 2.861,1231 2.818,1232 3.836,1233 2.806,1234 2.811,1235 2.876,1236 2.686,1237 2.616,1238 3.561,1239 2.604,1240 2.677,1241 2.727,1242 2.501,1243 2.514,1244 3.363,1245 2.505,1246 0.214,1247 0.214,1248 0.331,1249 0.202,1250 0.156,1251 4.496,1252 0.194,1253 4.492,1254 0.14,1255 6.945,1256 0.558,1257 4.234,1258 0.149,1259 3.277,1260 4.082,1261 2.95,1262 11.722,1263 3.137,1264 1.944,1265 1.93,1266 2.014,1267 2.016,1268 1.391,1269 2.029,1270 1.605,1271 1.552,1272 1.842,1273 1.783,1274 1.125,1275 1.809,1276 1.49,1277 1.417,1278 1.722,1279 1.763,1280 0.889,1281 1.743,1282 1.392,1283 1.317,1284 1.685,1285 1.662,1286 0.681,1287 1.679,1288 1.036,1289 0.973,1290 1.399,1291 1.258,1292 0.599,1293 1.325,1294 0.952,1295 0.89,1296 1.171,1297 1.245,1298 0.424,1299 1.22,1300 0.788,1301 0.73,1302 1.065,1303 1.027,1304 0.139,1305 1.073,1306 0.658,1307 0.614,1308 0.92,1309 0.833,1310 0.096,1311 0.856,1312 3.761,1314 5.094,1315 2.398,1316 6.637,1317 4.727,1318 8.285,1319 6.823,1320 9.992,1322 3.752,1328 3.514,1329 2.495,1330 5.356,1331 1.815,1332 1.197,1333 2.41,1340 22.874,1341 60.388,1342 127.937,1343 166.485,1344 177.24,1345 177.24,1346 177.24,1347 25.126,1348 6.815,1349 41.57,1350 66.87,1351 17,1352 12.382,1353 3,1354 2.322,1355 27.646,1356 50,1357 55,1358 0.289,1359 143.885,1360 250.31,1361 342.841,1362 7033,1364 13.405,1365 0.706,1366 0.631,1367 13.759,1368 11.997,1369 9.203,1370 0.438,1371 0.359,1372 6.545,1373 8.378,1374 6.244,1375 5.174,1376 9.657,1377 7.545,1378 8.237,1379 0.275,1380 0.204,1381 8.762,1382 6.129,1383 7.229,1384 0.172,1385 0.125,1386 7.983,1387 5.271,1388 6.139,1389 0.106,1390 0.075,1391 6.98,1392 4.371,1393 5.034,1394 0.069,1395 0.048,1396 6.031,1397 3.475,1398 0.428,1399 62.368,1400 0.268,1401 18.449,1402 0.867,1403 102,1404 284.309,1405 134.505,1406 289.143,1407 393.81,1408 272,1409 123,1410 273.487,1411 154.913,1412 287.481,1413 426.92,1414 269,1415 8.091}
{0 CHEMBL190496,1 1.353,2 7.813,3 2.85,4 8.125,5 69.784,6 7.678,7 0.706,8 3.458,9 3.551,10 3.222,11 3.194,12 4.495,13 3.087,14 3.937,15 4.071,16 3.365,17 3.53,18 4.926,19 3.385,20 4.189,21 4.383,22 3.397,23 3.585,24 5.173,25 3.4,26 4.157,27 4.401,28 3.305,29 3.457,30 5.078,31 3.223,32 3.972,33 4.177,34 3.119,35 3.254,36 5.107,37 3.082,38 3.837,39 4.066,40 2.772,41 3.077,42 4.909,43 2.937,44 3.626,45 3.857,46 2.549,47 2.963,48 4.557,49 2.814,50 3.498,51 3.747,52 2.358,53 2.834,54 4.335,55 2.66,56 0.044,57 0.35,58 7.497,59 3.252,60 6.129,61 3.982,62 0.05,63 0.591,64 14.11,65 5.824,66 8.506,67 6.841,68 0.115,69 0.742,70 16.205,71 6.862,72 24.678,73 8.407,74 0.096,75 0.772,76 20.723,77 7.885,78 21.969,79 9.053,80 0.134,81 0.615,82 16.859,83 6.127,84 30.925,85 6.603,86 0.113,87 0.517,88 12.498,89 4.795,90 25.547,91 5.744,92 0.059,93 0.41,94 8.141,95 3.595,96 14.016,97 4.9,98 0.028,99 0.366,100 7.111,101 3.259,102 8.06,103 4.611,104 2,105 21,106 0.258,107 0.437,108 0.498,109 0.595,110 0.63,111 0.63,112 2.85,113 1.193,114 -4.54,115 -4.47,116 -4.21,121 46.7,127 2,144 10,145 2,176 12,187 12,192 2,200 6,206 4,214 1,219 4,227 4,232 2,239 8,251 10,264 8,277 4,281 270,282 10.983,283 10.983,284 10.983,285 10.983,286 10.983,287 9.326,288 7.477,289 6.985,290 11.246,291 8.449,292 8.449,293 8.449,294 8.449,295 8.449,296 6.112,297 7.084,298 3.398,299 8.845,300 3.554,301 2.615,302 2.291,303 1.784,304 1.6,305 1.6,306 3.509,311 1,312 1,313 263,314 2.449,318 110.329,325 1.234,326 9.92,329 1,330 1,331 1,332 0.5,333 0.5,334 1,335 1,336 0.86,337 33,338 125,339 4.017,340 4.671,341 5.574,342 3.627,343 2.694,344 3.515,345 3.52,346 7.657,347 2.536,348 3.873,349 2.96,350 5.33,351 3.468,352 2.473,353 3.43,354 0.57,355 6.953,356 2.458,357 3.449,358 2.463,359 4.656,360 2.896,361 2,362 2.698,364 5.078,365 1.745,366 2.897,367 1.98,368 3.618,369 2.457,370 1.463,371 2.063,373 3.098,374 1.453,375 2.809,376 1.464,377 3.515,378 2.31,379 1.33,380 1.921,382 2.888,383 1.288,384 2.5,385 1.324,386 3.247,387 2,388 1,389 1.5,391 2.136,392 1,393 2.5,394 1,395 3.247,396 2,397 1,398 1.5,400 2.136,401 1,402 1.216,403 1,404 2.798,405 0.925,411 1.151,412 -0.104,413 2.158,414 0.666,415 -0.33,416 -0.449,418 -0.746,419 -0.328,420 0.533,421 -0.318,422 1.555,424 -1,425 -1.312,427 -2.207,428 -0.9,429 0.5,430 -0.557,431 1.555,433 -1,434 -1.5,436 -2.343,437 -0.934,438 0.5,439 -1,440 1.382,441 -0.049,442 -1,443 -1.5,445 -2.347,446 -1,447 0.373,448 -1,449 1.2,450 -0.071,451 -1,452 -1.534,454 -2.347,455 -1,456 -0.46,457 -1.307,458 0.897,459 -0.75,460 -1.694,461 -2.15,463 -4.67,464 -1.606,465 -0.5,466 -1.316,467 0.872,468 -1,469 -1.935,470 -2.181,472 -4.789,473 -1.71,474 8.167,475 0.51,476 0.243,477 0.015,478 22.25,479 1.391,480 13.5,481 0.844,482 8.75,483 0.547,484 9.173,485 0.573,486 16.433,487 0.548,488 12.457,489 0.779,490 4.447,491 0.278,492 3.396,493 0.212,494 0.041,496 0.224,501 0.369,502 0.945,503 0.832,504 0.981,505 0.586,506 0.9,507 0.698,508 1.203,509 1.394,510 1.333,511 0.649,512 1.156,513 1.354,514 1.056,515 0.978,516 0.972,517 1.42,518 1.107,519 0.883,520 1.064,521 1.249,522 1.181,523 0.768,524 0.979,525 2.105,526 1.042,527 1.405,528 1.178,529 2.019,530 0.979,531 1.831,532 0.858,533 0.976,534 0.863,535 1.804,536 0.874,537 0.883,538 0.855,539 0.647,540 0.725,541 0.918,542 0.947,543 0.168,544 0.955,545 0.599,546 0.809,547 0.2,548 1.016,549 2.5,551 0.667,552 0.75,553 0.462,554 0.236,555 0.201,556 0.007,557 0.032,558 0.023,559 2157,560 5434,561 2.066,562 46.7,564 14,572 1.545,573 2,574 3.01,575 -0.856,577 1,578 1,579 1,582 40.601,583 1.353,584 2.292,585 2.616,586 3.123,587 3.307,588 3.307,589 2.453,590 2.625,591 3.976,592 3.099,593 371.898,594 6.664,595 3298.79,596 1,597 1,599 1,600 147.207,601 1.014,602 3.962,603 0.147,605 0.032,606 0.042,607 0.031,608 0.017,609 0.017,610 0.001,611 0.004,612 0.006,613 0.295,614 0.67,615 1,616 0.5,617 65.731,618 0.171,619 0.027,620 0.17,621 0.026,622 -0.077,623 0.046,624 -0.044,625 -0.211,626 -0.248,627 -0.249,628 -0.041,629 -0.188,630 -0.148,631 -0.101,632 -0.055,633 -0.037,634 -0.191,635 -0.168,636 0.097,637 -0.039,638 0.055,639 -0.02,640 0.158,641 0.04,642 -0.154,643 -0.024,644 -0.132,645 -0.062,646 -0.037,647 -0.017,648 -0.183,649 0.097,650 -0.091,651 0.036,652 -0.096,653 0.062,654 -0.12,655 0.051,656 -0.045,657 0.036,658 -0.114,659 -0.012,660 0.036,661 -0.054,662 -0.008,663 -0.042,664 0.01,665 -0.055,666 2.044,667 4.893,668 0.75,669 9.344,670 0.986,671 1.101,672 3.315,673 10.986,674 0.714,675 2.89,676 3.091,677 3.219,678 3.401,679 3.497,680 3.219,681 3.219,682 3.219,683 3.045,684 3.045,685 4.753,686 0.653,687 230.35,688 2.89,689 4.344,690 5.118,691 5.927,692 6.713,693 7.527,694 8.317,695 9.132,696 9.923,697 10.739,715 10,720 2,722 12,741 30,743 13,744 2,745 17,747 31,748 14,749 12,750 2,751 10,756 2,757 2,772 12,773 2,777 1,782 1,787 1,790 1,793 14,794 1,796 2,797 1,808 1,809 1,829 2,859 2,862 1,868 16,870 1,876 2,893 3.3,896 1,901 8,902 5.167,903 3.667,904 1.667,907 2.07,908 1.365,909 0.983,910 3.896,911 7.747,912 3.219,913 3.714,914 4.135,915 4.637,916 5.068,917 4.702,918 4.888,919 5.154,920 5.03,921 5.433,922 1,923 18,924 5.939,926 2.432,927 0.026,929 7.66,931 11.536,933 9.275,936 2.16,937 34.556,938 0.004,941 164.795,942 122.066,945 22.156,947 19.133,948 102.933,949 186.952,952 1.799,953 113.895,954 22.156,955 6.371,957 164.795,959 164.795,960 102.933,961 22.156,962 19.133,964 164.795,965 22.156,968 1.799,969 101.134,971 19.133,972 164.795,973 22.156,974 122.066,977 183.928,978 8.171,979 94.762,981 22.156,982 164.795,983 22.156,984 122.066,986 0.55,987 0.297,988 0.164,989 0.086,990 9,991 3,992 0.129,993 4,995 1,996 2.997,997 97.432,999 12,1000 42,1003 1,1005 11.094,1006 5.619,1007 3.604,1009 22.156,1010 19.943,1015 2.272,1018 309.018,1019 24,1024 11.893,1029 -0.822,1031 29.589,1032 33.036,1034 0.276,1035 0.467,1036 0.533,1037 0.636,1038 0.674,1039 0.674,1040 4.357,1042 5.017,1043 2.136,1044 3.761,1045 4.394,1046 3.274,1047 5.645,1048 3.678,1049 5.503,1050 -0.33,1051 6.447,1053 2.944,1054 3.689,1056 6.071,1057 2.769,1058 6.738,1059 -1,1060 7.969,1061 -0.746,1062 5.165,1063 6.416,1064 5.731,1065 9.143,1066 4.997,1067 8.002,1068 -1,1069 9.546,1070 -2.207,1071 5.142,1072 6.437,1074 10.402,1075 4.876,1076 9.291,1077 -1,1078 11.159,1079 -2.343,1080 6.804,1081 8.658,1082 8.244,1083 12.907,1084 6.558,1085 10.599,1086 -1,1087 12.796,1088 -2.347,1089 7.204,1090 9.066,1092 14.537,1093 6.865,1094 11.921,1095 -1.694,1096 14.45,1097 -2.347,1098 8.564,1099 11.002,1100 10.761,1101 16.793,1102 8.24,1103 2.694,1104 -1.935,1105 16.115,1106 -4.67,1107 9.206,1108 11.649,1110 18.608,1111 8.792,1112 2.473,1113 7.657,1114 17.789,1115 -4.789,1116 10.396,1117 13.398,1118 13.277,1119 20.746,1120 9.987,1121 2,1122 6.953,1123 19.47,1124 3.515,1125 11.178,1126 14.207,1128 22.656,1129 10.682,1130 1.463,1131 5.078,1132 21.155,1133 3.43,1134 12.273,1135 15.823,1136 15.794,1137 24.736,1138 11.77,1139 1.33,1140 3.098,1141 22.844,1142 2.698,1143 13.138,1144 16.747,1146 26.696,1147 12.551,1148 1,1149 2.888,1150 24.535,1151 2.063,1152 14.18,1153 18.268,1154 18.311,1155 28.748,1156 13.575,1157 1,1158 2.136,1159 26.23,1160 1.921,1161 15.092,1162 19.276,1164 30.736,1165 14.409,1166 2151,1167 3486,1168 11.614,1169 21.432,1170 24.327,1171 26.893,1172 24.441,1173 24.011,1174 23.917,1175 33.253,1176 8.18,1177 59.89,1178 22.957,1179 4.877,1180 6.671,1181 5.376,1182 4.707,1183 4.694,1184 6.515,1185 7.04,1186 13.365,1187 4.536,1188 4.376,1189 1.431,1190 1.582,1191 1.438,1192 1.412,1193 1.407,1194 1.956,1195 0.481,1196 3.523,1197 1.35,1198 3.969,1199 3.989,1200 4.33,1201 3.95,1202 7.396,1203 3.905,1204 3.872,1205 3.903,1206 3.796,1207 3.819,1208 4.76,1209 3.809,1210 3.51,1211 3.506,1212 3.735,1213 3.518,1214 4.73,1215 3.4,1216 3.008,1217 3.077,1218 2.853,1219 2.898,1220 3.801,1221 2.879,1222 2.854,1223 2.925,1224 2.698,1225 2.735,1226 3.674,1227 2.715,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 2.7,1235 2.727,1236 2.687,1237 2.607,1238 3.674,1239 2.56,1240 2.344,1241 2.471,1242 2.01,1243 2.113,1244 3.079,1245 2.071,1246 0.236,1247 0.275,1248 0.328,1249 0.213,1250 0.158,1251 4.017,1252 0.207,1253 4.671,1254 0.207,1255 5.574,1256 0.45,1257 3.627,1258 0.149,1259 2.694,1260 3.515,1261 3.52,1262 7.657,1263 2.536,1264 1.942,1265 1.923,1266 2.042,1267 2.008,1268 1.261,1269 2.038,1270 1.887,1271 1.858,1272 2.017,1273 1.964,1274 1.11,1275 1.984,1276 1.443,1277 1.443,1278 1.505,1279 1.53,1280 0.832,1281 1.609,1282 1.039,1283 0.977,1284 1.33,1285 1.211,1286 0.53,1287 1.256,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 0.66,1301 0.629,1302 0.913,1303 0.833,1304 0.039,1305 0.885,1306 0.4,1307 0.28,1308 0.861,1309 0.69,1311 0.756,1312 3.555,1314 4.779,1316 6.196,1318 7.692,1320 9.222,1328 1.269,1340 19.59,1341 40.601,1342 68.768,1343 78.478,1344 93.697,1345 99.207,1346 99.207,1347 23.459,1348 5.677,1349 17.07,1350 36.28,1351 12,1352 11.328,1353 3.807,1354 3,1355 26.108,1356 45,1357 36,1358 0.283,1359 127.839,1360 215.7,1361 303.688,1362 1771,1364 11.217,1365 0.701,1366 0.614,1367 11.506,1368 9.821,1369 7.843,1370 0.461,1371 0.398,1372 5.39,1373 7.143,1374 5.082,1375 4.267,1376 8.54,1377 6.761,1378 6.585,1379 0.314,1380 0.246,1381 7.373,1382 5.157,1383 4.921,1384 0.205,1385 0.152,1386 5.657,1387 3.652,1388 4.08,1389 0.141,1390 0.097,1391 4.933,1392 2.802,1393 3.043,1394 0.095,1395 0.059,1396 3.748,1397 1.873,1398 0.443,1399 54.607,1400 0.293,1401 16.574,1402 0.771,1403 76,1404 196.596,1405 103.176,1406 218.399,1407 289.16,1408 202,1409 83,1410 183.377,1411 111.38,1412 211.647,1413 293.16,1414 196,1415 4}
{0 CHEMBL190528,1 1.477,2 22.022,3 6.568,4 43.135,5 173.549,6 7.113,7 0.375,8 4.544,9 4.649,10 4.061,11 4.013,12 5.64,13 4.004,14 5.094,15 5.267,16 4.373,17 4.365,18 6.152,19 4.338,20 5.277,21 5.457,22 4.465,23 4.509,24 6.336,25 4.456,26 5.394,27 5.606,28 4.442,29 4.541,30 6.402,31 4.467,32 5.417,33 5.628,34 4.366,35 4.554,36 6.391,37 4.466,38 5.431,39 5.662,40 4.31,41 4.56,42 6.367,43 4.436,44 5.426,45 5.683,46 4.268,47 4.492,48 6.341,49 4.366,50 5.309,51 5.546,52 4.221,53 4.406,54 6.257,55 4.301,56 0.056,57 1.147,58 19.005,59 8.524,60 11.592,61 10.785,62 0.673,63 1.777,64 36.918,65 13.221,66 53.507,67 17.327,68 0.769,69 2.075,70 44.435,71 16.67,72 66.441,73 21.941,74 0.821,75 2.267,76 51.309,77 18.17,78 82.528,79 24.655,80 0.903,81 2.301,82 53.016,83 18.368,84 83.695,85 24.627,86 0.908,87 2.356,88 53.419,89 19.434,90 85.126,91 27.028,92 1.047,93 2.27,94 54.705,95 18.905,96 96.064,97 26.751,98 0.748,99 2.037,100 47.891,101 16.783,102 76.966,103 23.267,104 68,105 64,106 0.221,107 0.512,108 0.738,109 0.831,110 0.855,111 0.87,112 3.831,113 0.939,114 -3.44,115 -3.42,116 -3.27,121 40.2,123 5,126 5,127 3,137 1,140 1,144 9,145 3,146 6,159 1,161 1,176 13,179 1,180 13,183 2,187 13,191 3,192 15,200 6,205 2,206 18,211 2,214 7,218 1,219 8,224 2,227 11,231 3,232 5,237 1,239 13,243 4,244 5,247 1,251 11,255 2,256 10,264 10,269 8,274 1,277 8,281 5216,282 30.703,283 30.703,284 30.703,285 30.703,286 30.703,287 28.141,288 37.532,289 18.403,290 31.734,291 23.48,292 23.48,293 23.48,294 23.48,295 23.48,296 19.173,297 45.219,298 8.492,299 24.781,300 4.966,301 3.025,302 1.518,303 0.9,304 0.736,305 0.641,306 4.524,312 1,313 2091,314 5.148,317 129.766,318 521.988,321 234.956,325 3.356,326 46.224,329 0.75,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.71,337 99,338 991,339 4.536,340 3.728,341 6.695,342 4.172,343 3.193,344 4.166,345 2.186,346 10.8,347 3.128,348 4.411,349 3.66,350 6.522,351 4.001,352 3.052,353 4.076,354 0.916,355 10.254,356 2.891,357 4.105,358 3.366,359 5.681,360 3.723,361 2.761,362 3.688,363 0.86,364 7.996,365 2.661,366 3.908,367 2.984,368 5.668,369 3.476,370 2.519,371 3.354,372 0.86,373 7.667,374 2.408,375 3.672,376 2.942,377 5.33,378 3.38,379 2.451,380 2.934,381 0.86,382 6.843,383 2.261,384 3.602,385 2.632,386 5.29,387 3.227,388 2.26,389 2.886,390 0.86,391 6.815,392 2.176,393 3.378,394 2.618,395 5.19,396 3.123,397 2.167,398 2.604,399 0.86,400 6.118,401 2.055,402 3.355,403 2.555,404 5.098,405 2.972,406 2.061,407 2.515,408 0.366,409 5.831,410 1.867,411 3.234,412 2.428,413 4.862,414 2.871,415 1.893,416 2.442,417 0.172,418 5.594,419 1.846,420 3.09,421 2.172,422 4.748,423 2.798,424 1.824,425 2.175,427 4.935,428 1.761,429 3.028,430 2.084,431 4.585,432 2.711,433 1.737,434 2.162,436 4.814,437 1.682,438 2.824,439 1.895,440 3.858,441 2.616,442 1.673,443 1.833,445 3.679,446 1.56,447 2.658,448 1.833,449 3.806,450 2.357,451 1.385,452 1.725,454 2.895,455 1.341,456 2.505,457 1.544,458 3.564,459 2.179,460 1.187,461 1.445,463 2.606,464 1.175,465 2.392,466 1.397,467 3.514,468 1.998,469 1.149,470 1.306,472 2.462,473 0.97,474 20.967,475 0.466,476 0.916,477 0.02,478 54.25,479 1.206,480 25.5,481 0.567,482 28.75,483 0.639,484 44.468,485 0.988,486 51.033,487 0.587,488 48.259,489 1.072,490 11.101,491 0.247,492 10.741,493 0.239,494 0.151,496 0.305,501 0.827,502 1.421,503 0.82,504 1.292,505 0.625,506 1.089,507 1.105,508 0.894,509 0.903,510 0.883,511 0.668,512 0.846,513 0.948,514 1.099,515 0.926,516 1.085,517 0.783,518 1.016,519 0.966,520 1.06,521 0.934,522 1.04,523 0.939,524 0.989,525 1.22,526 0.999,527 1.12,528 1.003,529 1.05,530 1.036,531 0.742,532 1.09,533 1.009,534 1.112,535 0.795,536 1.115,537 0.703,538 0.878,539 0.867,540 0.924,541 0.742,542 0.928,543 0.881,544 1.003,545 0.93,546 1.013,547 0.832,548 0.988,549 9,550 0.258,551 3.778,552 3.701,553 2.12,554 1.514,555 0.814,556 0.767,557 0.478,558 0.287,559 45815,560 126405,561 2.019,562 48.3,563 6,564 31,567 1,569 4,572 1.818,573 1.888,574 4.355,575 -0.407,582 128.534,583 1.477,584 3.418,585 4.925,586 5.543,587 5.707,588 5.802,589 3.817,590 5.314,591 5.464,592 4.601,593 4554.98,594 9.623,595 101308,600 560.536,601 1.406,602 5.42,603 0.188,604 0.007,605 0.059,606 0.054,607 0.033,608 0.025,609 0.015,610 0.014,611 0.009,612 0.006,613 0.41,614 0.33,615 0.63,616 1.094,617 275.825,618 -0.022,619 -0.202,620 0.064,621 -0.138,622 -0.016,623 -0.038,624 -0.022,625 0.207,626 0.075,627 0.141,628 0.09,629 0.135,630 0.068,631 -0.055,632 0.041,633 -0.04,634 0.095,635 -0.01,636 0.016,637 -0.054,638 0.046,639 -0.033,640 0.041,641 0.007,642 -0.155,643 0.005,644 -0.128,645 -0.006,646 -0.098,647 -0.053,648 0.073,649 -0.097,650 -0.052,651 -0.101,652 0.017,653 -0.101,654 0.133,655 0.076,656 0.112,657 0.053,658 0.087,659 0.074,660 0.021,661 -0.031,662 0.049,663 -0.021,664 0.061,665 0.013,666 2.139,667 5.98,668 0.467,669 79.283,670 1.006,671 1.126,672 2.208,673 4.875,674 0.642,675 3.892,676 4.174,677 4.419,678 4.663,679 4.836,680 4.905,681 5.024,682 5.136,683 5.165,684 5.236,685 12.743,686 0.613,687 618.79,688 3.892,689 5.416,690 6.248,691 7.111,692 7.962,693 8.834,694 9.695,695 10.573,696 11.442,697 12.325,698 2.3,701 1,705 1,715 9,720 9,722 18,727 1,737 1,739 5,741 87,743 21,744 3,745 48,747 90,748 35,749 18,750 9,751 9,752 3,756 4,757 5,770 5,772 22,773 13,777 3,782 2,784 1,786 3,793 42,794 10,795 1,796 10,802 2,808 0.75,809 8,828 1,829 3,832 1,849 2,855 1,859 3,864 5,868 45,876 8,877 1,878 6,881 1,893 9.2,896 2,898 6,901 23.833,902 17.117,903 10.389,904 5.15,907 3.848,908 1.446,909 0.937,910 13.133,911 12.476,912 4.111,913 4.64,914 5.169,915 5.701,916 6.207,917 6.458,918 6.791,919 7.123,920 7.388,921 7.732,922 1,923 68,924 16.653,926 6.812,927 0.026,929 7.756,931 31.736,933 24.861,936 2.256,937 101.5,941 482.615,942 223.838,943 21.135,945 116.289,948 223.838,949 598.904,950 21.135,951 49.442,952 39.487,953 94.762,954 60.667,955 110.141,956 6.763,957 482.615,959 482.615,960 244.973,961 116.289,964 435.531,965 163.374,968 42.612,969 187.641,970 14.72,972 482.615,973 137.424,974 223.838,977 482.615,978 79.633,979 147.329,980 18.011,981 116.289,982 482.615,983 137.424,984 223.838,986 0.563,987 0.333,988 0.18,989 0.095,990 25,991 13,992 0.189,993 17,994 1,995 1.095,996 5.578,997 419.175,998 0.095,999 21,1000 239.133,1005 34.317,1006 17.221,1007 9.713,1009 137.424,1010 16.421,1015 5.42,1017 18.011,1018 843.877,1019 60,1024 24.416,1026 1.66,1028 -0.453,1031 87.494,1032 97.976,1034 0.229,1035 0.53,1036 0.764,1037 0.86,1038 0.886,1039 0.9,1040 5.34,1041 2.061,1042 6.213,1043 6.118,1044 4.86,1045 5.328,1046 2.914,1047 6.989,1048 4.763,1049 6.517,1050 1.893,1051 7.749,1052 5.831,1053 4.369,1054 5.103,1055 1.847,1056 7.823,1057 4.239,1058 7.809,1059 1.824,1060 9.384,1061 5.594,1062 6.418,1063 7.451,1064 3.669,1065 10.917,1066 6.243,1067 9.137,1068 1.737,1069 11.077,1070 4.935,1071 6.758,1072 8.037,1073 3.603,1074 12.601,1075 6.546,1076 10.498,1077 1.673,1078 12.81,1079 4.814,1080 8.251,1081 9.873,1082 4.94,1083 15.215,1084 8.01,1085 11.883,1086 1.385,1087 14.572,1088 3.679,1089 8.997,1090 10.847,1091 5.291,1092 17.279,1093 8.721,1094 13.286,1095 1.187,1096 16.355,1097 2.895,1098 10.264,1099 12.466,1100 6.393,1101 19.728,1102 9.966,1103 3.193,1104 1.149,1105 18.155,1106 2.606,1107 11.213,1108 13.641,1109 6.93,1110 21.961,1111 10.882,1112 3.052,1113 10.8,1114 19.97,1115 2.462,1116 12.391,1117 15.156,1118 7.903,1119 24.351,1120 12.039,1121 2.761,1122 10.254,1123 21.797,1124 4.166,1125 13.438,1126 16.438,1127 8.539,1128 26.657,1129 13.057,1130 2.519,1131 7.996,1132 23.635,1133 4.076,1134 14.583,1135 17.901,1136 9.436,1137 29.028,1138 14.181,1139 2.451,1140 7.667,1141 25.481,1142 3.688,1143 15.676,1144 19.241,1145 10.13,1146 31.365,1147 15.249,1148 2.26,1149 6.843,1150 27.334,1151 3.354,1152 16.812,1153 20.678,1154 10.981,1155 33.73,1156 16.364,1157 2.167,1158 6.815,1159 29.194,1160 2.934,1161 17.929,1162 22.05,1163 11.71,1164 36.082,1165 17.457,1166 44217,1167 73753,1168 31.611,1169 55.875,1170 69.055,1171 72.41,1172 72.82,1173 68.7,1174 68.874,1175 85.723,1176 15.883,1177 190.947,1178 65.347,1179 5.5,1180 5.728,1181 6.586,1182 5.256,1183 5.193,1184 7.166,1185 3.889,1186 17.888,1187 5.128,1188 26.654,1189 1.439,1190 1.509,1191 1.517,1192 1.431,1193 1.435,1194 1.786,1195 0.331,1196 3.978,1197 1.361,1198 4.043,1199 4.051,1200 4.009,1201 3.95,1202 7.435,1203 3.962,1204 3.94,1205 3.968,1206 3.878,1207 3.856,1208 7.427,1209 3.856,1210 3.9,1211 3.906,1212 3.864,1213 3.812,1214 4.997,1215 3.822,1216 3.77,1217 3.828,1218 3.622,1219 3.642,1220 4.893,1221 3.626,1222 3.61,1223 3.674,1224 3.499,1225 3.419,1226 4.813,1227 3.423,1228 3.526,1229 3.585,1230 3.444,1231 3.331,1232 4.58,1233 3.346,1234 3.478,1235 3.505,1236 3.375,1237 3.216,1238 4.578,1239 3.258,1240 3.343,1241 3.416,1242 3.174,1243 3.151,1244 4.46,1245 3.147,1246 0.094,1247 0.078,1248 0.139,1249 0.087,1250 0.067,1251 4.536,1252 0.087,1253 3.728,1254 0.046,1255 6.695,1256 0.225,1257 4.172,1258 0.065,1259 3.193,1260 4.166,1261 2.186,1262 10.8,1263 3.128,1264 1.912,1265 1.895,1266 2.052,1267 2.028,1268 1.392,1269 2.035,1270 1.903,1271 1.885,1272 2.008,1273 2.008,1274 1.209,1275 1.995,1276 1.865,1277 1.852,1278 1.974,1279 1.977,1280 1.114,1281 1.982,1282 1.773,1283 1.713,1284 1.941,1285 1.92,1286 1.106,1287 1.935,1288 1.576,1289 1.508,1290 1.831,1291 1.794,1292 1.051,1293 1.805,1294 1.443,1295 1.439,1296 1.692,1297 1.726,1298 0.855,1299 1.716,1300 1.405,1301 1.336,1302 1.658,1303 1.645,1304 0.683,1305 1.627,1306 1.347,1307 1.267,1308 1.603,1309 1.585,1310 0.664,1311 1.607,1312 4.575,1314 5.866,1315 2.398,1316 7.345,1317 4.844,1318 8.917,1319 7.018,1320 10.542,1322 8.26,1328 7.756,1329 2.455,1330 33.293,1333 2.272,1340 53.297,1341 128.534,1342 297.333,1343 428.484,1344 482.232,1345 496.497,1346 504.762,1347 109.297,1348 8.628,1349 108.7,1350 108.7,1351 23,1352 12.862,1353 4.459,1354 3.7,1355 89.438,1356 352,1357 339,1358 0.119,1359 327.359,1360 592.56,1361 790.515,1362 97618,1364 32.183,1365 0.715,1366 0.592,1367 32.183,1368 26.644,1369 21.842,1370 0.455,1371 0.313,1372 14.726,1373 20.684,1374 14.25,1375 11.969,1376 21.842,1377 15.029,1378 18.627,1379 0.291,1380 0.167,1381 18.627,1382 10.697,1383 15.433,1384 0.188,1385 0.09,1386 15.433,1387 7.345,1388 12.673,1389 0.121,1390 0.048,1391 12.673,1392 5.053,1393 9.836,1394 0.079,1395 0.027,1396 9.836,1397 3.339,1398 0.202,1399 139.346,1400 0.178,1401 41.332,1402 0.29,1403 224,1404 747.862,1405 252.379,1406 689.109,1407 928.54,1408 648,1409 258,1410 666.078,1411 286.745,1412 669.922,1413 974.68,1414 622,1415 6.284}
{0 CHEMBL19060,1 1.419,2 24.8,3 6.041,4 36.491,5 177.452,6 6.288,7 0.293,8 4.568,9 4.714,10 4.073,11 4.091,12 5.449,13 3.983,14 5.146,15 5.37,16 4.19,17 4.433,18 5.912,19 4.276,20 5.396,21 5.672,22 4.248,23 4.553,24 6.07,25 4.355,26 5.422,27 5.699,28 4.184,29 4.538,30 6.1,31 4.326,32 5.438,33 5.734,34 4.079,35 4.535,36 6.051,37 4.291,38 5.433,39 5.748,40 4.006,41 4.483,42 6.009,43 4.226,44 5.314,45 5.613,46 3.972,47 4.424,48 5.907,49 4.171,50 5.276,51 5.572,52 3.943,53 4.395,54 5.854,55 4.14,56 0.136,57 1.319,58 28.148,59 10.234,60 15.905,61 13.588,62 0.374,63 2.021,64 45.867,65 15.69,66 31.461,67 21.806,68 0.43,69 2.392,70 59.743,71 19.755,72 38.319,73 27.525,74 0.593,75 2.387,76 59.948,77 19.638,78 45.036,79 27.662,80 0.422,81 2.4,82 59.583,83 20.518,84 37.146,85 28.492,86 0.481,87 2.315,88 60.829,89 20.008,90 36.765,91 27.569,92 0.471,93 2.111,94 54.949,95 19.135,96 33.299,97 25.458,98 0.349,99 2.032,100 52.976,101 18.653,102 27.626,103 24.824,104 9,105 46,106 0.213,107 0.435,108 0.622,109 0.704,110 0.73,111 0.749,112 3.716,113 1.291,114 -4.97,115 -4.87,116 -4.57,121 34,123 8,126 2,127 10,144 8,145 2,146 2,176 14,180 4,185 6,187 12,192 4,197 6,200 6,206 2,209 2,211 8,214 2,224 6,227 4,232 2,239 8,244 2,248 3,251 10,256 2,264 8,269 2,274 4,277 6,281 4568,282 28.125,283 28.125,284 28.125,285 28.125,286 28.125,287 26.622,288 32.91,289 18.622,290 29.013,291 20.247,292 20.247,293 20.247,294 20.247,295 20.247,296 17.984,297 39.278,298 8.884,299 21.386,300 5.136,301 3.659,302 2.41,303 1.867,304 1.697,305 1.569,306 4.399,312 1,313 2036,314 5.292,318 374.523,325 4.32,326 17.678,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 84,338 992,339 4.192,340 3.771,341 6.129,342 3.805,343 2.837,344 3.8,345 0.86,346 8.98,347 2.746,348 4.192,349 3.295,350 6.129,351 3.805,352 2.837,353 3.8,354 0.86,355 8.98,356 2.746,357 3.002,358 3.133,359 4.415,360 2.93,361 1.985,362 2.121,363 0.657,364 4.362,365 1.895,366 2.994,367 3.133,368 4.415,369 2.915,370 1.942,371 2.121,372 0.657,373 4.362,374 1.891,375 2.963,376 2.218,377 3.982,378 2.802,379 1.875,380 2.076,381 0.4,382 3.96,383 1.715,384 2.917,385 2.218,386 3.931,387 2.731,388 1.793,389 2.076,390 0.4,391 3.846,392 1.679,393 2.917,394 2.024,395 3.849,396 2.647,397 1.707,398 1.98,400 3.669,401 1.591,402 2.907,403 2.012,404 3.744,405 2.569,406 1.618,407 1.923,409 3.441,410 1.533,411 2.824,412 1.821,413 3.652,414 2.472,415 1.526,416 1.836,418 3.192,419 1.438,420 2.714,421 1.816,422 3.625,423 2.457,424 1.484,425 1.721,427 3.074,428 1.436,429 2.579,430 1.581,431 3.574,432 2.434,433 1.456,434 1.582,436 3.012,437 1.407,438 2.422,439 1.577,440 3.437,441 2.311,442 1.349,443 1.42,445 2.785,446 1.288,447 2.247,448 1.393,449 3.272,450 2.127,451 1.186,452 1.239,454 2.437,455 1.106,456 2.059,457 1.385,458 3.099,459 1.941,460 1,461 1.043,463 2.05,464 0.932,465 1.875,466 0.954,467 2.927,468 1.762,469 0.802,470 0.843,472 1.644,473 0.766,474 19.933,475 0.498,476 0.239,477 0.006,478 36.5,479 0.913,480 13,481 0.325,482 23.5,483 0.588,484 48.258,485 1.206,486 47.867,487 0.509,488 21.702,489 0.543,490 6.101,491 0.153,492 13.746,493 0.344,494 0.05,496 0.1,501 1.023,502 1.396,503 0.866,504 1.119,505 0.955,506 1.188,507 1.485,508 1.163,509 1.18,510 1.111,511 1.285,512 1.149,513 0.931,514 1.105,515 1.066,516 1.103,517 0.813,518 1.018,519 1.087,520 1.098,521 1.054,522 1.067,523 1.016,524 1.065,525 0.856,526 1.081,527 1.027,528 1.048,529 0.908,530 1.061,531 0.957,532 0.89,533 1.058,534 0.947,535 0.97,536 0.926,537 0.834,538 0.888,539 1.124,540 1.039,541 0.87,542 1.002,543 0.803,544 1.036,545 1.123,546 1.104,547 0.84,548 1.036,549 2.5,550 0.058,551 2,552 0.875,553 0.684,554 0.361,555 0.162,556 0.118,557 0.09,558 0.071,559 40725,560 86099,561 2.012,562 57.4,563 8,564 34,567 4,569 8,572 1.785,573 1.967,574 4.522,575 1.382,582 133.367,583 1.419,584 2.895,585 4.145,586 4.687,587 4.858,588 4.985,589 3.884,590 4.322,591 5.297,592 4.83,593 3767.44,594 9.257,595 90017.1,600 616.131,601 0.748,602 5.296,603 0.061,604 0.002,605 0.043,606 0.019,607 0.016,608 0.01,609 0.005,610 0.004,611 0.003,612 0.002,613 0.165,615 0.75,616 0.565,617 246.774,618 0.014,619 -0.075,620 0.164,621 0.045,622 0.095,623 0.001,624 -0.184,625 -0.009,626 -0.125,627 -0.051,628 -0.11,629 -0.093,630 0.013,631 -0.071,632 -0.006,633 -0.058,634 0.109,635 -0.005,636 0.034,637 -0.091,638 -0.051,639 -0.075,640 0.039,641 -0.074,642 -0.044,643 -0.094,644 -0.054,645 -0.066,646 -0.056,647 -0.075,648 -0.076,649 0.073,650 -0.025,651 0.036,652 -0.095,653 0.03,654 0.011,655 0.102,656 -0.049,657 0.002,658 -0.03,659 -0.011,660 -0.026,661 -0.054,662 -0.041,663 -0.039,664 -0.046,665 -0.029,666 0.697,667 1.905,668 0.3,669 81.62,670 0.982,671 1.134,672 3.738,673 13.973,674 0.63,675 3.738,676 3.85,677 3.989,678 4.078,679 4.127,680 3.97,681 3.912,682 3.85,683 3.829,684 3.807,685 15.055,686 0.564,687 591.04,688 3.738,689 5.165,690 5.922,691 6.688,692 7.46,693 8.237,694 9.017,695 9.801,696 10.588,697 11.378,698 4.3,700 4,715 8,720 4,722 12,739 2,741 94,743 12,744 2,745 41,747 95,748 32,749 12,750 4,751 8,756 2,757 2,770 8,772 12,773 20,793 54,794 6,795 4,796 8,797 2,802 4,808 1,809 2,829 2,853 4,859 2,861 1,862 2,864 2,868 40,876 18,877 4,878 2,879 2,893 2.1,898 2,901 20.333,902 16.333,903 9.806,904 5.986,907 1.631,908 1.226,909 0.924,910 22.474,911 8.852,912 3.871,913 4.19,914 4.58,915 4.947,916 5.306,917 5.055,918 5.015,919 4.902,920 4.894,921 4.887,922 0.938,923 47,924 14.849,926 5.671,927 0.026,929 7.358,931 29.942,933 23.122,936 1.858,937 74.333,941 588.555,942 213.719,943 72.043,945 22,947 60.363,948 153.355,949 610.555,950 72.043,951 21.766,952 38.921,953 147.853,955 38.858,957 648.919,959 588.555,960 225.398,961 22,962 60.363,964 494.386,965 116.169,968 110.964,969 114.434,971 60.363,972 588.555,973 94.043,974 213.719,977 588.555,978 116.143,979 97.576,980 72.043,981 22,982 588.555,983 94.043,984 213.719,986 0.522,987 0.292,988 0.154,989 0.076,990 10,991 4,992 0.284,993 27,995 1,996 5.747,997 293.932,999 12,1000 172.877,1001 2,1005 35.107,1006 25.606,1007 18.154,1009 94.043,1010 16.463,1015 4.4,1017 72.043,1018 896.317,1019 47,1031 92.305,1032 106.632,1034 0.216,1035 0.442,1036 0.632,1037 0.715,1038 0.741,1039 0.761,1040 5.004,1041 1.618,1042 5.753,1043 3.669,1044 4.533,1045 4.875,1046 1.845,1047 6.323,1048 4.436,1049 6.037,1050 1.526,1051 7.146,1052 3.441,1053 3.219,1054 4.007,1056 6.763,1057 3.118,1058 7.214,1059 1.484,1060 8.652,1061 3.192,1062 5.866,1063 6.761,1064 1.395,1065 9.913,1066 5.698,1067 8.437,1068 1.456,1069 10.244,1070 3.074,1071 5.638,1072 7.006,1074 11.485,1075 5.459,1076 9.714,1077 1.349,1078 11.901,1079 3.012,1080 7.48,1081 9.055,1082 1.084,1083 14.014,1084 7.257,1085 11.028,1086 1.186,1087 13.607,1088 2.785,1089 7.865,1090 9.828,1092 15.984,1093 7.621,1094 12.374,1095 1,1096 15.347,1097 2.437,1098 9.298,1099 11.555,1100 0.85,1101 18.308,1102 9.022,1103 2.837,1104 0.802,1105 17.111,1106 2.05,1107 10.016,1108 12.582,1110 20.417,1111 9.711,1112 2.837,1113 8.98,1114 18.892,1115 1.644,1116 11.245,1117 14.145,1118 0.666,1119 22.665,1120 10.913,1121 1.985,1122 8.98,1123 20.683,1124 3.8,1125 12.132,1126 15.301,1128 24.824,1129 11.766,1130 1.942,1131 4.362,1132 22.481,1133 3.8,1134 13.264,1135 16.773,1136 0.519,1137 27.042,1138 12.871,1139 1.875,1140 4.362,1141 24.285,1142 2.121,1143 14.233,1144 18,1146 29.222,1147 13.803,1148 1.793,1149 3.96,1150 26.091,1151 2.121,1152 15.318,1153 19.42,1154 0.402,1155 31.426,1156 14.861,1157 1.707,1158 3.846,1159 27.9,1160 2.076,1161 16.326,1162 20.688,1164 33.615,1165 15.833,1166 39990,1167 58302,1168 27.961,1169 59.262,1170 54.673,1171 58.684,1172 56.19,1173 54.808,1174 54.857,1175 63.559,1176 7.669,1177 126.994,1178 52.022,1179 5.181,1180 5.771,1181 6.114,1182 4.886,1183 4.837,1184 6.8,1185 1.72,1186 15.015,1187 4.746,1188 13.941,1189 1.333,1190 1.431,1191 1.37,1192 1.337,1193 1.338,1194 1.55,1195 0.187,1196 3.097,1197 1.269,1198 3.963,1199 3.999,1200 4.158,1201 3.876,1202 4.879,1203 3.875,1204 3.917,1205 3.946,1206 3.887,1207 3.841,1208 4.849,1209 3.84,1210 3.788,1211 3.85,1212 3.854,1213 3.669,1214 4.4,1215 3.638,1216 3.757,1217 3.827,1218 3.61,1219 3.618,1220 4.395,1221 3.602,1222 3.62,1223 3.693,1224 3.602,1225 3.556,1226 4.354,1227 3.459,1228 3.584,1229 3.669,1230 3.445,1231 3.392,1232 4.305,1233 3.384,1234 3.442,1235 3.514,1236 3.379,1237 3.312,1238 4.242,1239 3.273,1240 3.39,1241 3.477,1242 3.247,1243 3.215,1244 4.233,1245 3.195,1246 0.102,1247 0.092,1248 0.149,1249 0.093,1250 0.069,1251 4.192,1252 0.093,1253 3.771,1254 0.021,1255 6.129,1256 0.219,1257 3.805,1258 0.067,1259 2.837,1260 3.8,1261 0.86,1262 8.98,1263 2.746,1264 1.907,1265 1.882,1266 2.043,1267 2.019,1268 1.373,1269 2.027,1270 1.907,1271 1.882,1272 2.043,1273 2.018,1274 1.372,1275 2.027,1276 1.772,1277 1.708,1278 2.001,1279 1.944,1280 1.178,1281 1.969,1282 1.769,1283 1.704,1284 2.001,1285 1.942,1286 1.173,1287 1.966,1288 1.601,1289 1.539,1290 1.832,1291 1.807,1292 1.125,1293 1.832,1294 1.566,1295 1.486,1296 1.826,1297 1.797,1298 1.096,1299 1.815,1300 1.439,1301 1.373,1302 1.688,1303 1.634,1304 1.013,1305 1.673,1306 1.388,1307 1.308,1308 1.674,1309 1.616,1310 0.973,1311 1.645,1312 4.419,1314 5.587,1316 6.932,1318 8.374,1320 9.874,1322 3.47,1328 20.957,1329 14.246,1330 10.81,1331 3.987,1340 53.059,1341 133.367,1342 272.144,1343 389.602,1344 440.622,1345 456.622,1346 468.622,1347 105.431,1348 7.221,1349 66.58,1350 117.18,1351 12,1352 11.984,1353 3.7,1354 2.807,1355 112.905,1356 372,1357 260,1358 0.135,1359 342.806,1360 598.4,1361 828.206,1362 21037,1364 28.351,1365 0.709,1366 0.665,1367 29.058,1368 26.613,1369 19.847,1370 0.484,1371 0.43,1372 15.146,1373 18.3,1374 14.581,1375 12.258,1376 20.972,1377 17.647,1378 14.781,1379 0.321,1380 0.275,1381 16.019,1382 12.652,1383 11.582,1384 0.219,1385 0.173,1386 12.769,1387 9.146,1388 8.752,1389 0.151,1390 0.109,1391 9.813,1392 6.345,1393 6.36,1394 0.104,1395 0.071,1396 7.266,1397 4.308,1398 0.24,1399 133.312,1400 0.189,1401 39.319,1402 0.309,1403 174,1404 416.523,1405 223.191,1406 438.527,1407 588.34,1408 418,1409 186,1410 371.83,1411 233.292,1412 408.888,1413 575.44,1414 382,1415 5.14}
{0 CHEMBL190613,1 1.36,2 3.667,3 0.917,4 0.841,5 33.567,6 6.641,8 2.999,9 3.113,10 2.443,11 2.543,12 4.049,13 2.49,14 3.6,15 3.792,16 2.765,17 2.92,18 4.581,19 2.834,20 3.92,21 4.15,22 2.816,23 2.958,24 5.234,25 2.853,26 3.767,27 4.023,28 2.136,29 2.529,30 4.979,31 2.381,32 3.071,33 3.365,34 0.816,35 1.663,36 4.197,37 1.433,38 1.844,39 2.277,40 0.042,41 0.626,42 1.946,43 0.348,56 0.005,57 0.241,58 4.192,59 2.058,60 5.208,61 2.664,62 0.032,63 0.394,64 8.084,65 3.386,66 16.872,67 4.625,68 0.226,69 0.458,70 11.913,71 3.9,72 63.403,73 5.546,74 0.254,75 0.328,76 10.68,77 2.741,78 60.36,79 3.981,80 0.172,81 0.138,82 5.364,83 1.165,84 37.61,85 1.775,86 0.023,87 0.035,88 1.319,89 0.334,90 4.344,91 0.61,104 10,105 12,106 0.31,107 0.497,108 0.766,109 0.838,110 0.838,111 0.838,112 2.359,113 1.095,114 -1.65,115 -1.71,116 -1.74,121 36.8,122 1,123 3,124 1,158 2,176 4,180 2,187 3,191 1,192 5,200 2,206 3,214 1,281 38,282 5.69,283 5.69,284 5.69,285 5.69,286 5.69,287 5.468,288 7.757,289 3.314,290 5.637,291 4.375,292 4.375,293 4.375,294 4.375,295 4.375,296 3.878,297 6.882,298 1.529,299 4.252,300 2.888,301 2.064,302 0.882,303 0.566,304 0.566,305 0.566,306 2.911,312 1,313 63,314 1.225,318 26,325 0.444,326 14.861,329 1,330 0.67,331 0.83,332 1,333 1,334 1,335 1,336 0.93,337 20,338 33,339 4.164,340 3.938,341 6.263,342 3.952,343 2.912,344 3.444,345 1.277,346 9.036,347 3.022,348 3.104,349 3.005,350 4.841,351 2.914,352 1.879,353 2.124,354 1.277,355 5.104,356 1.938,357 2.591,358 2.001,359 3.854,360 2.439,361 1.414,362 1.536,364 3.178,365 1.444,366 1.817,367 1.295,368 2.428,369 1.396,370 0.286,371 0.394,373 0.595,374 0.315,375 0.845,376 0.424,377 2.352,378 0.686,379 -0.347,380 -0.379,382 -0.757,383 -0.357,384 0.177,385 -0.529,386 1.353,387 -0.123,388 -1.199,389 -1.334,391 -2.809,392 -1.261,393 -0.241,394 -0.838,395 1.299,396 -0.36,397 -1.414,398 -1.786,400 -3.788,401 -1.509,402 -0.456,403 -1.304,404 1.156,405 -0.505,406 -1.532,407 -2,408 -1.277,409 -4,410 -1.591,411 -1,412 -1.833,413 0.454,414 -1,415 -2,416 -2,417 -1.277,418 -6.559,419 -2,474 4.167,475 0.463,476 0.285,477 0.032,478 8,479 0.889,480 3,481 0.333,482 5,483 0.556,484 6.497,485 0.722,486 10.833,487 0.57,488 3.996,489 0.444,490 1.27,491 0.141,492 2.945,493 0.327,494 0.28,496 0.36,501 0.474,502 1.286,503 0.848,504 1.281,505 0.482,506 1.164,507 0.494,508 1.244,509 0.807,510 1.235,511 0.512,512 1.11,513 0.783,514 1.122,515 0.904,516 1.115,517 0.798,518 1.047,519 1.646,520 0.894,521 1.3,522 0.898,523 1.627,524 1.006,525 1.92,526 0.507,527 1.412,528 0.537,529 1.879,530 0.819,549 2,551 1.556,552 0.688,553 0.333,559 283,560 861,561 1.817,562 52.6,563 7,568 3,572 1.357,573 1.636,574 2.064,575 -0.742,582 25.84,583 1.36,584 2.184,585 3.366,586 3.682,587 3.682,588 3.682,589 0.918,590 2.503,591 3.152,592 1.903,593 68.515,594 5.037,595 413.016,600 80.711,601 1.585,602 3.044,603 0.222,605 0.13,606 0.063,607 0.083,613 0.498,614 1,615 1,616 0.881,617 26.007,622 0.008,624 0.048,625 -0.134,626 0.059,627 -0.118,628 0.032,629 -0.04,630 0.146,631 -0.174,632 0.04,633 -0.166,634 0.129,635 -0.097,636 -0.289,637 -0.083,638 -0.281,639 -0.098,640 -0.267,641 -0.175,642 -0.416,643 0.19,644 -0.365,645 0.151,646 -0.377,647 -0.062,648 0.295,649 0.579,650 0.868,651 0.646,652 0.226,653 0.85,666 1.839,667 3.776,668 0.667,669 2.469,670 1.004,671 1.131,672 0.415,673 0.172,674 0.617,675 2.303,676 2.565,677 2.708,678 2.639,679 2.565,680 2.079,681 1.099,685 2.472,686 0.582,687 126.17,688 2.303,689 3.761,690 4.554,691 5.371,692 6.18,693 7,694 7.812,695 8.634,696 9.446,697 10.267,741 19,743 2,745 9,747 19,748 7,752 2,756 1,757 1,763 1,767 3,768 1,770 3,772 2,773 5,774 1,777 2,782 2,786 2,793 10,794 2,796 2,808 1,809 2,829 1,841 2,859 1,864 1,868 9,876 3,880 1,893 10.5,896 2,901 5.5,902 3.667,903 2.056,904 1.354,907 0.34,908 1.078,909 0.868,910 1.654,911 4.71,912 2.485,913 2.833,914 3.135,915 2.944,916 2.833,917 2.565,918 1.946,922 0.333,923 11,924 3.359,925 -0.035,926 1.409,927 -0.046,929 8.296,931 6.328,932 -0.014,933 5.142,934 -0.024,935 0.002,936 2.796,937 25.167,938 0.028,941 117.711,942 26.696,945 50.29,948 26.696,949 168.001,951 8.825,952 7.604,954 60.557,957 117.711,959 117.711,960 26.696,961 50.29,964 117.711,965 50.29,968 16.429,969 10.267,972 117.711,973 50.29,974 26.696,977 117.711,978 17.871,979 8.825,981 50.29,982 117.711,983 50.29,984 26.696,986 0.586,987 0.345,988 0.137,989 0.054,990 6,991 3,995 1,996 1.96,997 41.594,999 6,1000 28.529,1005 6.47,1006 2.301,1007 1.181,1009 50.29,1018 194.697,1019 11,1024 21.431,1028 -0.338,1031 19.073,1032 21.495,1034 0.32,1035 0.514,1036 0.792,1037 0.867,1038 0.867,1039 0.867,1040 3.689,1041 -1.532,1042 4.554,1043 -3.788,1044 3.219,1045 3.497,1046 2.019,1047 5.303,1048 3.281,1049 4.836,1050 -2,1051 6.111,1052 -4,1053 2.944,1054 3.434,1056 6.176,1057 3.063,1058 6.114,1060 7.776,1061 -6.559,1062 4.762,1063 5.361,1064 2.456,1065 9.193,1066 4.89,1067 7.425,1069 9.497,1071 5.252,1072 6.111,1074 10.818,1075 5.453,1076 8.772,1078 11.25,1080 6.621,1081 7.571,1082 2.912,1083 13.385,1084 6.825,1085 10.14,1087 13.026,1089 7.444,1090 8.638,1092 15.311,1093 7.715,1094 11.524,1096 14.817,1098 8.64,1099 9.946,1100 3.38,1101 17.696,1102 8.923,1103 2.912,1105 16.618,1107 9.602,1108 11.126,1110 19.759,1111 9.943,1112 1.879,1113 9.036,1114 18.428,1116 10.728,1117 12.385,1118 3.857,1119 22.056,1120 11.09,1121 1.414,1122 5.104,1123 20.244,1124 3.444,1125 11.749,1126 13.603,1128 24.186,1129 12.161,1130 0.286,1131 3.178,1132 22.064,1133 2.124,1134 12.844,1135 14.846,1136 4.338,1137 26.437,1138 13.283,1139 -0.347,1140 0.595,1141 23.888,1142 1.536,1143 13.891,1144 16.077,1146 28.601,1147 14.375,1148 -1.199,1149 -0.757,1150 25.714,1151 0.394,1152 14.972,1153 17.316,1154 4.823,1155 30.829,1156 15.488,1157 -1.414,1158 -2.809,1159 27.542,1160 -0.379,1161 16.032,1162 18.55,1164 33.011,1165 16.588,1166 354,1167 652,1168 5.375,1169 11.716,1170 13.574,1171 15.004,1172 13.915,1173 13.047,1174 12.985,1175 14.997,1176 5.11,1177 35.827,1178 13.438,1179 5.164,1180 5.771,1181 5.809,1182 4.952,1183 4.912,1184 5.444,1185 2.555,1186 15.595,1187 5.022,1188 4.699,1189 1.508,1190 1.667,1191 1.546,1192 1.45,1193 1.443,1194 1.666,1195 0.568,1196 3.981,1197 1.493,1198 3.895,1199 3.926,1200 3.808,1201 3.765,1202 7.496,1203 3.768,1204 3.302,1205 3.377,1206 3.124,1207 3.13,1208 7.351,1209 3.113,1210 3.162,1211 3.186,1212 3.031,1213 2.933,1214 4.149,1215 2.955,1216 2.733,1217 2.829,1218 2.473,1219 2.457,1220 3.728,1221 2.436,1222 2.228,1223 2.253,1224 2.053,1225 1.756,1226 3.09,1227 1.823,1228 1.989,1229 2.129,1230 1.526,1231 1.588,1232 2.681,1233 1.559,1234 1.691,1235 1.845,1236 1.168,1237 1.231,1238 2.075,1239 1.206,1240 0.941,1241 1.207,1242 0.11,1243 0.38,1244 1.663,1245 0.262,1246 0.463,1247 0.438,1248 0.696,1249 0.439,1250 0.324,1251 4.164,1252 0.383,1253 3.938,1254 0.142,1255 6.263,1256 1.004,1257 3.952,1258 0.336,1259 2.912,1260 3.444,1261 1.277,1262 9.036,1263 3.022,1264 1.857,1265 1.823,1266 2.048,1267 2.013,1268 1.37,1269 2.022,1270 1.318,1271 1.243,1272 1.652,1273 1.537,1274 0.87,1275 1.579,1276 1.072,1277 1.044,1278 1.307,1279 1.339,1280 0.482,1281 1.317,1282 0.73,1283 0.63,1284 1.106,1285 1.045,1286 0.17,1287 1.079,1288 0.084,1290 0.663,1291 0.524,1293 0.563,1296 0.428,1297 0.419,1299 0.398,1303 0.166,1305 0.149,1312 2.944,1314 4.205,1316 5.687,1318 7.263,1320 8.876,1322 1.819,1328 2.263,1332 -0.008,1340 11.064,1341 25.84,1342 41.491,1343 63.956,1344 69.956,1345 69.956,1346 69.956,1347 17.583,1348 4.369,1349 34.14,1350 34.14,1351 6,1352 10.849,1353 1.585,1354 1.585,1355 14.065,1356 14,1357 8,1358 0.622,1359 72.661,1360 129.6,1361 169.053,1362 243,1364 6.853,1365 0.761,1366 0.613,1367 6.853,1368 5.515,1369 4.215,1370 0.468,1371 0.365,1372 3.258,1373 4.085,1374 3.15,1375 2.627,1376 4.215,1377 3.286,1378 3.745,1379 0.312,1380 0.215,1381 3.745,1382 2.581,1383 3.114,1384 0.222,1385 0.126,1386 3.114,1387 1.763,1388 1.848,1389 0.142,1390 0.084,1391 1.848,1392 1.098,1393 1.072,1394 0.089,1395 0.052,1396 1.072,1397 0.629,1398 0.838,1399 26.446,1400 0.431,1401 8.582,1402 2.09,1403 42,1404 149.471,1405 46.207,1406 138.357,1407 171.2,1408 126,1409 47,1410 108.273,1411 51.429,1412 107.672,1413 154.19,1414 101,1415 4}
{0 CHEMBL190660,1 1.677,2 5.714,3 2.63,4 6.918,5 60.264,6 10.196,7 0.667,8 3.211,9 3.259,10 3.18,11 3.012,12 4.423,13 2.902,14 3.645,15 3.707,16 3.527,17 3.37,18 4.853,19 3.228,20 3.785,21 3.904,22 3.401,23 3.186,24 5.229,25 3.055,26 3.658,27 3.751,28 3.373,29 3.041,30 5.153,31 2.978,32 3.612,33 3.75,34 3.245,35 3.009,36 4.978,37 2.848,38 3.343,39 3.517,40 2.85,41 2.851,42 4.394,43 2.609,44 2.958,45 3.156,46 1.886,47 2.397,48 3.769,49 2.148,50 2.492,51 2.803,52 0.531,53 1.532,54 3.045,55 1.219,56 0.047,57 0.236,58 2.629,59 2.05,60 9.236,61 2.102,62 0.074,63 0.398,64 6.827,65 3.832,66 13.54,67 3.631,68 0.247,69 0.516,70 14.873,71 5.57,72 37.819,73 4.72,74 0.177,75 0.423,76 9.806,77 4.191,78 22.031,79 3.211,80 0.203,81 0.42,82 11.495,83 4.392,84 33.202,85 3.347,86 0.142,87 0.344,88 9.305,89 3.671,90 23.446,91 3.337,92 0.044,93 0.238,94 8.343,95 2.765,96 3.552,97 2.812,98 0.031,99 0.142,100 3.264,101 1.348,102 3.992,103 1.864,104 5,105 20,106 0.345,107 0.661,108 0.787,109 0.881,110 0.918,111 0.918,112 2.733,113 1.168,114 -2.59,115 -2.62,116 -2.55,121 45.5,129 1,144 4,153 2,154 2,159 1,176 2,187 4,192 2,195 1,197 2,206 3,211 3,219 1,224 1,227 4,239 4,251 1,281 172,282 9.466,283 9.466,284 9.466,285 9.466,286 9.466,287 8.181,288 6.375,289 5.695,290 9.872,291 7.369,292 7.369,293 7.369,294 7.369,295 7.369,296 5.463,297 6.543,298 2.673,299 8.027,300 2.783,301 1.25,302 0.636,303 0.182,306 3.367,311 1,312 1,313 168,314 2.646,317 79.649,325 0.898,326 16.777,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 30,338 80,339 4.316,340 3.831,341 6.527,342 4.005,343 3.042,344 3.805,345 1.848,346 10.025,347 2.925,348 3.923,349 2.84,350 5.707,351 3.427,352 2.521,353 3.49,354 0.443,355 7.59,356 2.265,357 3.3,358 2.198,359 4.617,360 2.789,361 1.858,362 2.563,364 4.624,365 1.71,366 2.7,367 1.783,368 3.696,369 2.242,370 1.284,371 1.755,373 2.828,374 1.213,375 2.276,376 1.037,377 3.228,378 1.733,379 0.792,380 1.133,382 1.863,383 0.727,384 2.118,385 0.886,386 3,387 1.465,388 0.618,389 0.927,391 1.372,392 0.507,393 2.118,394 0.618,395 3,396 1.461,397 0.618,398 0.927,400 1.372,401 0.506,402 1.74,403 0.618,404 2.735,405 1.233,406 0.272,407 0.373,409 0.608,410 0.252,411 0.24,412 -0.286,413 2,414 -0.175,415 -1.194,416 -1.361,418 -2.744,419 -1.097,420 0.06,421 -0.817,422 1.458,423 -0.308,424 -1.231,425 -1.669,427 -2.828,428 -1.207,429 -0.118,430 -1.246,431 1.226,432 -0.532,433 -1.497,434 -1.861,436 -3.633,437 -1.27,438 -0.118,439 -1.618,440 1,441 -0.722,442 -1.618,443 -2.427,445 -4.372,446 -1.315,447 -0.179,448 -1.618,449 1,450 -0.752,451 -1.618,452 -2.427,454 -4.372,455 -1.492,456 -0.534,457 -1.74,458 0.404,459 -0.981,460 -1.846,461 -2.598,462 -0.763,463 -5.198,464 -1.786,465 -0.842,466 -1.866,467 0.403,468 -1.087,469 -2,470 -2.63,471 -1.528,472 -7.135,473 -1.938,474 7.333,475 0.524,476 0.298,477 0.021,478 17.5,479 1.25,480 9.5,481 0.679,482 8,483 0.571,484 9.407,485 0.672,486 14.267,487 0.648,488 9.338,489 0.667,490 3.31,491 0.236,492 3.478,493 0.248,494 0.091,496 0.273,501 0.755,502 0.682,503 0.715,504 0.652,505 0.751,506 0.68,507 0.815,508 0.986,509 1.045,510 0.999,511 0.796,512 0.959,513 0.882,514 1.265,515 1.202,516 1.346,517 0.943,518 1.145,519 1.574,520 1.17,521 0.927,522 1.115,523 1.645,524 0.965,525 1.729,526 0.828,527 0.804,528 0.7,529 1.695,530 0.902,531 1.069,532 0.75,533 1.214,534 0.892,535 1.01,536 0.943,537 0.222,538 1.344,539 1.54,540 1.508,541 0.12,542 1.484,543 0.096,544 1.086,545 0.489,546 0.772,547 0.141,548 1.315,549 2,551 1.778,552 0.806,553 0.64,554 0.222,555 0.059,559 1301,560 4718,561 2.034,562 36.4,564 5,565 2,567 1,572 1.51,573 1.909,574 2.634,575 -0.166,579 1,582 36.888,583 1.677,584 3.209,585 3.823,586 4.278,587 4.459,588 4.459,589 1.95,590 2.236,591 3.784,592 2.683,593 244.148,594 6.309,595 1911.6,597 1,600 98.107,601 1.379,602 3.74,603 0.133,605 0.089,606 0.05,607 0.04,608 0.019,609 0.007,613 0.338,614 0.83,615 1,616 0.673,617 52.519,618 -0.101,619 0.161,620 0.022,621 0.15,622 -0.135,623 0.103,624 -0.098,625 -0.09,626 -0.127,627 -0.07,628 -0.11,629 -0.116,630 0.246,631 -0.283,632 -0.135,633 -0.318,634 0.216,635 -0.188,636 -0.103,637 -0.222,638 -0.028,639 -0.201,640 -0.098,641 -0.106,642 -0.325,643 0.147,644 0.093,645 0.225,646 -0.252,647 0.023,648 -0.222,649 0.281,650 -0.073,651 0.207,652 -0.191,653 0.126,654 0.04,655 -0.378,656 -0.448,657 -0.471,658 0.066,659 -0.373,660 0.229,661 -0.172,662 0.216,663 -0.024,664 0.121,665 -0.109,666 2.339,667 4.671,668 0.714,669 5.959,670 1.016,671 1.087,672 1.364,673 1.861,674 0.784,675 2.773,676 3.045,677 3.296,678 3.434,679 3.219,680 3.219,681 3.045,682 2.833,683 2.565,684 2.197,685 3.749,686 0.723,687 224.32,688 2.773,689 4.263,690 5.094,691 5.938,692 6.783,693 7.632,694 8.481,695 9.331,696 10.182,697 11.033,715 6,719 2,720 2,722 10,727 1,741 22,743 11,745 15,747 23,748 10,749 8,752 1,756 2,757 2,770 1,772 9,773 1,777 1,782 1,786 1,790 1,793 8,794 2,795 1,796 4,797 2,808 1,809 2,811 1,828 2,857 1,859 2,862 2,868 14,875 1,880 1,888 2,893 9.1,894 1,896 1,901 7.333,902 3.783,903 3.167,904 1.143,907 1.584,908 1.295,909 0.928,910 2.963,911 6.95,912 3.091,913 3.624,914 4.171,915 4.631,916 4.46,917 4.722,918 4.722,919 4.808,920 4.925,921 4.925,922 0.75,923 16,924 5.195,925 0.002,926 2.234,927 0.026,929 8,931 9.696,932 0.001,933 7.872,934 -0.001,936 2.5,937 35,938 0.004,941 82.398,942 123.609,945 67.828,947 62.555,948 61.053,949 150.226,953 95.886,954 30.278,956 26.259,957 121.411,959 82.398,960 61.053,961 67.828,962 62.555,964 82.398,965 25.145,966 42.683,969 61.053,971 62.555,972 82.398,973 67.828,974 123.609,977 82.398,978 70.406,979 53.203,981 67.828,982 82.398,983 67.828,984 123.609,986 0.573,987 0.348,988 0.178,989 0.062,990 10,991 4,992 0.13,993 3,995 1,996 2.662,997 85.605,999 10,1000 53.303,1001 2,1005 9.839,1006 4.216,1007 2.054,1009 67.828,1010 10.795,1014 2.742,1015 1.3,1017 42.683,1018 273.835,1019 21,1024 11.671,1028 -0.22,1031 22.342,1032 23.92,1034 0.376,1035 0.72,1036 0.857,1037 0.959,1038 1,1039 1,1040 4.27,1041 0.272,1042 5.056,1043 1.372,1044 3.714,1045 4.304,1046 2.019,1047 5.832,1048 3.566,1049 5.45,1050 -1.194,1051 6.603,1052 0.608,1053 3.219,1054 3.829,1055 1.22,1056 6.706,1057 3.063,1058 6.726,1059 -1.231,1060 8.261,1061 -2.744,1062 5.263,1063 6.398,1064 2.917,1065 9.815,1066 5.011,1067 8.047,1068 -1.497,1069 9.986,1070 -2.828,1071 5.707,1072 6.902,1073 2.638,1074 11.536,1075 5.43,1076 9.404,1077 -1.618,1078 11.753,1079 -3.633,1080 7.133,1081 8.744,1082 3.984,1083 14.142,1084 6.804,1085 10.785,1086 -1.618,1087 13.548,1088 -4.372,1089 7.958,1090 9.671,1091 4.007,1092 16.172,1093 7.597,1094 12.181,1095 -1.846,1096 15.361,1097 -4.372,1098 9.173,1099 11.224,1100 5.117,1101 18.61,1102 8.777,1103 3.042,1104 -2,1105 17.186,1106 -5.198,1107 10.155,1108 12.351,1109 5.332,1110 20.777,1111 9.726,1112 2.521,1113 10.025,1114 19.02,1115 -7.135,1116 11.296,1117 13.776,1118 6.282,1119 23.144,1120 10.836,1121 1.858,1122 7.59,1123 20.861,1124 3.805,1125 12.346,1126 15.001,1127 6.624,1128 25.378,1129 11.853,1130 1.284,1131 4.624,1132 22.708,1133 3.49,1134 13.462,1135 16.368,1136 7.467,1137 27.713,1138 12.937,1139 0.792,1140 2.828,1141 24.558,1142 2.563,1143 14.542,1144 17.642,1145 7.895,1146 29.981,1147 13.984,1148 0.618,1149 1.863,1150 26.412,1151 1.755,1152 15.65,1153 18.983,1154 8.665,1155 32.3,1156 15.059,1157 0.618,1158 1.372,1159 28.27,1160 1.133,1161 16.744,1162 20.281,1163 9.152,1164 34.586,1165 16.119,1166 1339,1167 2621,1168 9.94,1169 17.25,1170 22.584,1171 22.694,1172 22.353,1173 21.994,1174 22.009,1175 29.947,1176 4.582,1177 60.568,1178 20.209,1179 5.158,1180 5.697,1181 6.124,1182 5.092,1183 5.042,1184 6.435,1185 3.376,1186 17.16,1187 4.863,1188 5.393,1189 1.506,1190 1.513,1191 1.49,1192 1.466,1193 1.467,1194 1.996,1195 0.305,1196 4.038,1197 1.347,1198 3.941,1199 3.939,1200 4.262,1201 3.968,1202 7.428,1203 3.893,1204 3.793,1205 3.798,1206 4.178,1207 3.854,1208 6.444,1209 3.759,1210 3.309,1211 3.321,1212 3.304,1213 3.125,1214 4.653,1215 3.141,1216 2.684,1217 2.7,1218 2.683,1219 2.439,1220 4.617,1221 2.449,1222 2.394,1223 2.473,1224 2.681,1225 2.376,1226 3.326,1227 2.235,1228 2.376,1229 2.441,1230 2.57,1231 2.376,1232 3.168,1233 2.223,1234 2.193,1235 2.232,1236 2.099,1237 2.011,1238 3.078,1239 1.956,1240 2.056,1241 2.078,1242 2.031,1243 1.752,1244 2.97,1245 1.79,1246 0.288,1247 0.255,1248 0.435,1249 0.267,1250 0.203,1251 4.316,1252 0.254,1253 3.831,1254 0.123,1255 6.527,1256 0.668,1257 4.005,1258 0.195,1259 3.042,1260 3.805,1261 1.848,1262 10.025,1263 2.925,1264 1.675,1265 1.676,1266 1.753,1267 1.796,1268 0.953,1269 1.789,1270 1.469,1271 1.431,1272 1.644,1273 1.576,1274 0.693,1275 1.603,1276 1.414,1277 1.394,1278 1.488,1279 1.499,1280 0.643,1281 1.545,1282 1.271,1283 1.297,1284 1.155,1285 1.247,1286 0.532,1287 1.337,1288 0.773,1289 0.767,1290 0.917,1291 0.963,1292 0.087,1293 1.012,1294 0.197,1295 0.178,1296 0.549,1297 0.709,1299 0.653,1302 0.365,1303 0.239,1305 0.286,1308 0.337,1309 0.09,1311 0.19,1312 3.434,1314 4.71,1315 3.045,1316 6.163,1317 5.13,1318 7.699,1319 6.986,1320 9.283,1327 9.717,1332 -1.006,1340 15.911,1341 36.888,1342 70.598,1343 84.107,1344 94.107,1345 98.107,1346 98.107,1347 22.992,1348 5.366,1349 37.3,1350 93.78,1351 10,1352 11.59,1353 3.585,1354 2.807,1355 21.285,1356 31,1357 22,1358 0.355,1359 107.524,1360 176.44,1361 254.12,1362 1017,1364 9.966,1365 0.712,1366 0.632,1367 10.673,1368 8.846,1369 6.788,1370 0.453,1371 0.389,1372 4.203,1373 5.688,1374 3.953,1375 3.255,1376 7.696,1377 5.839,1378 5.807,1379 0.29,1380 0.234,1381 6.974,1382 4.686,1383 5.116,1384 0.197,1385 0.14,1386 6.517,1387 3.634,1388 3.825,1389 0.127,1390 0.084,1391 5.142,1392 2.526,1393 1.906,1394 0.079,1395 0.045,1396 2.536,1397 1.079,1398 0.525,1399 50.963,1400 0.317,1401 14.12,1402 1.061,1403 70,1404 229.606,1405 118.772,1406 261.832,1407 344.26,1408 244,1409 81,1410 205.709,1411 123.617,1412 236.936,1413 346.13,1414 223,1415 4}
{0 CHEMBL190672,1 1.961,2 7,3 4.524,4 20.463,5 74.987,6 19.004,7 0.588,8 3.138,9 3.137,10 3.611,11 3.113,12 4.422,13 2.986,14 3.559,15 3.556,16 4.093,17 3.502,18 4.908,19 3.344,20 3.661,21 3.672,22 4.379,23 3.432,24 5.315,25 3.226,26 3.413,27 3.437,28 3.722,29 3.003,30 5.093,31 2.971,32 3.362,33 3.362,34 4.018,35 3.049,36 5.085,37 2.938,38 3.138,39 3.148,40 3.865,41 2.983,42 4.623,43 2.786,44 2.914,45 2.993,46 4.004,47 2.883,48 3.942,49 2.558,50 2.598,51 2.739,52 3.37,53 2.404,54 3.584,55 2.083,56 0.081,57 0.119,58 15.273,59 0.322,60 10.183,61 0.769,62 0.139,63 0.217,64 28.082,65 1.326,66 20.637,67 1.554,68 0.281,69 0.263,70 62.396,71 5,72 45.562,73 2.792,74 0.221,75 0.258,76 19.355,77 2.294,78 35.016,79 1.75,80 0.284,81 0.218,82 18.161,83 2.726,84 41.622,85 1.275,86 0.18,87 0.172,88 19.833,89 2.436,90 21.548,91 1.352,92 0.073,93 0.134,94 29.035,95 2.405,96 6.837,97 1.658,98 0.09,99 0.085,100 34.984,101 1.784,102 7.379,103 1.773,104 17,105 24,106 0.408,107 0.649,108 0.691,109 0.691,110 0.691,111 0.691,112 2.853,113 1.322,114 -4.16,115 -4.1,116 -3.88,119 2,121 50,144 2,146 2,153 2,154 2,159 2,187 4,191 1,192 4,200 2,206 4,219 2,227 4,232 2,251 4,277 1,281 252,282 10.361,283 10.361,284 10.361,285 10.361,286 10.361,287 8.948,288 5.035,289 5.968,290 11.019,291 8.335,292 8.335,293 8.335,294 8.335,295 8.335,296 6.114,297 1.941,298 2.83,299 9.532,300 2.361,301 1.2,302 1,303 1,304 1,305 1,306 3.489,311 1,312 1,313 232,314 2.828,317 93.709,325 1,326 21.204,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 33.5,338 112,339 4.425,340 3.841,341 6.541,342 4.058,343 3.072,344 4.007,346 10.101,347 3.036,348 4.097,349 3.08,350 5.804,351 3.57,352 2.686,353 3.732,355 8.012,356 2.337,357 3.694,358 2.891,359 5.147,360 3.171,361 2.288,362 3.08,364 6.247,365 1.897,366 3.208,367 2.765,368 4.818,369 2.715,370 1.848,371 2.404,373 5.221,374 1.476,375 2.673,376 1.815,377 4.18,378 2.056,379 1.21,380 1.69,382 3.314,383 0.925,384 2.297,385 1.799,386 3.297,387 1.563,388 0.765,389 1.128,391 1.792,392 0.57,393 2.17,394 0.751,395 3.266,396 1.519,397 0.67,398 0.998,400 1.642,401 0.547,402 2.079,403 0.745,404 3.076,405 1.411,406 0.335,407 0.562,409 0.791,410 0.344,411 0.51,412 0.027,413 2.154,414 -0.048,415 -0.761,416 -0.895,418 -1.785,419 -0.341,420 0.485,421 -0.036,422 1.606,423 -0.087,424 -0.765,425 -0.922,427 -1.787,428 -0.35,429 0.291,430 -0.336,431 1.601,432 -0.295,433 -1.223,434 -1.705,436 -3.148,437 -1.23,438 0.127,439 -1.011,440 1.541,441 -0.386,442 -1.271,443 -1.742,445 -3.663,446 -1.231,447 -0.087,448 -1.434,449 1.259,450 -0.516,451 -1.504,452 -2,454 -4.25,455 -1.335,456 -0.333,457 -1.674,458 1.128,459 -0.838,460 -1.749,461 -2.536,463 -4.765,464 -1.339,465 -0.335,466 -1.676,467 1.123,468 -0.935,469 -1.753,470 -2.537,472 -4.908,473 -1.559,474 10,475 0.625,476 0.511,477 0.032,478 20,479 1.25,480 11,481 0.688,482 9,483 0.563,484 14.625,485 0.914,486 14.6,487 0.73,488 8.948,489 0.559,490 3.227,491 0.202,492 4.348,493 0.272,494 0.333,496 0.3,501 0.547,502 0.634,503 0.537,504 0.551,505 0.531,506 0.533,507 0.739,508 0.928,509 0.732,510 0.842,511 0.657,512 0.773,513 1,514 1.355,515 1.256,516 1.363,517 0.944,518 1.407,519 1.641,520 1.094,521 0.442,522 0.737,523 1.923,524 0.611,525 1.787,526 0.796,527 0.813,528 0.783,529 2.116,530 0.743,531 0.887,532 0.962,533 1.086,534 1.277,535 1.003,536 1.113,537 0.29,538 1.247,539 0.961,540 0.92,541 0.095,542 1.284,543 0.728,544 0.887,545 2.597,546 1.449,547 0.181,548 1.627,549 4,551 2.222,552 1.444,553 0.89,554 0.382,555 0.222,556 0.094,557 0.087,559 1839,560 9975,561 1.958,562 20,564 2,565 2,572 1.551,573 1.778,574 2.853,575 -0.612,582 39.219,583 1.961,584 3.122,585 3.322,586 3.322,587 3.322,588 3.322,589 2.25,590 2.75,591 3.974,592 2.907,593 348.784,594 6.692,595 2984.49,597 1,600 86.439,601 1.561,602 3.895,603 0.235,605 0.093,606 0.072,607 0.049,608 0.024,609 0.019,610 0.012,611 0.022,613 0.525,614 0.67,615 1,616 0.75,617 64.045,618 -0.018,619 0.06,620 -0.023,621 0.013,622 -0.038,623 0.027,624 -0.097,625 -0.128,626 -0.091,627 -0.111,628 -0.032,629 -0.087,630 0.075,631 -0.362,632 -0.18,633 -0.308,634 0.156,635 -0.423,636 -0.24,637 -0.012,638 0.046,639 0.091,640 -0.269,641 0.235,642 -0.267,643 0.281,644 -0.016,645 0.169,646 -0.358,647 0.085,648 0.062,649 0.064,650 -0.13,651 -0.226,652 -0.064,653 -0.134,654 0.173,655 -0.307,656 0.19,657 0.156,658 0.119,659 -0.024,660 -0.054,661 0.065,662 -0.478,663 -0.081,664 0.099,665 0.1,666 2.12,667 4.799,668 0.625,669 8.438,670 1.046,671 1.059,672 2.93,673 8.585,674 0.96,675 2.89,676 3.219,677 3.434,678 3.611,679 3.555,680 3.497,681 3.367,682 3.219,683 3.091,684 2.944,685 4.225,686 0.872,687 380.08,688 2.89,689 4.419,690 5.252,691 6.12,692 6.973,693 7.841,694 8.699,695 9.567,696 10.428,697 11.295,715 4,719 2,720 4,722 10,727 2,740 2,741 20,743 12,745 17,746 2,747 21,748 10,749 8,752 2,756 2,757 2,772 10,777 2,782 2,786 2,793 4,794 2,796 6,797 4,808 1,809 2,828 2,859 2,862 2,863 2,868 16,888 2,892 2,893 10,896 2,901 9,902 3.786,903 3.5,904 1.037,907 1.667,908 1.294,909 1,910 3.953,911 7.337,912 3.219,913 3.818,914 4.379,915 4.853,916 4.929,917 5.094,918 5.051,919 5.094,920 5.316,921 5.497,922 0.8,923 20,924 5.92,926 2.544,927 0.026,929 8.073,931 10.915,933 8.795,936 2.573,937 41.167,938 0.002,941 47.084,942 115.9,943 91.908,945 50.29,947 62.555,948 145.253,949 97.374,953 34.251,954 60.557,955 6.11,956 26.259,957 86.098,958 91.908,959 47.084,960 53.345,961 50.29,962 62.555,963 91.908,964 47.084,965 50.29,969 53.345,971 154.464,972 47.084,973 50.29,974 207.808,977 47.084,978 81.649,979 34.251,980 91.908,981 50.29,982 47.084,983 50.29,984 207.808,986 0.593,987 0.344,988 0.171,989 0.079,990 12,991 6,992 0.143,993 3,995 1,996 2.79,997 104.725,999 10,1000 48,1001 2,1005 12.431,1006 5.087,1007 2.82,1009 50.29,1010 6.886,1014 2.526,1015 2.56,1018 305.182,1019 24,1024 23.598,1028 -0.907,1031 20.916,1032 21.188,1034 0.454,1035 0.722,1036 0.769,1037 0.769,1038 0.769,1039 0.769,1040 4.437,1041 0.335,1042 5.263,1043 1.642,1044 3.892,1045 4.5,1047 6.061,1048 3.673,1049 5.669,1050 -0.761,1051 6.83,1052 0.791,1053 3.611,1054 4.369,1056 6.94,1057 3.311,1058 6.983,1059 -0.765,1060 8.493,1061 -1.785,1062 5.485,1063 6.686,1065 10.015,1066 5.172,1067 8.335,1068 -1.223,1069 10.21,1070 -1.787,1071 5.994,1072 7.381,1074 11.689,1075 5.674,1076 9.715,1077 -1.271,1078 11.961,1079 -3.148,1080 7.368,1081 9.13,1083 14.295,1084 7.027,1085 11.115,1086 -1.504,1087 13.736,1088 -3.663,1089 8.208,1090 10.184,1092 16.299,1093 7.884,1094 12.53,1095 -1.749,1096 15.53,1097 -4.25,1098 9.405,1099 11.71,1101 18.738,1102 9.07,1103 3.072,1104 -1.753,1105 17.337,1106 -4.765,1107 10.389,1108 12.93,1110 20.894,1111 10.073,1112 2.686,1113 10.101,1114 19.156,1115 -4.908,1116 11.523,1117 14.363,1119 23.263,1120 11.204,1121 2.288,1122 8.012,1123 20.984,1124 4.007,1125 12.573,1126 15.662,1128 25.494,1129 12.267,1130 1.848,1131 6.247,1132 22.819,1133 3.732,1134 13.685,1135 17.056,1137 27.832,1138 13.381,1139 1.21,1140 5.221,1141 24.66,1142 3.08,1143 14.766,1144 18.392,1146 30.101,1147 14.47,1148 0.765,1149 3.314,1150 26.507,1151 2.404,1152 15.874,1153 19.771,1155 32.425,1156 15.579,1157 0.67,1158 1.792,1159 28.358,1160 1.69,1161 16.97,1162 21.126,1164 34.714,1165 16.679,1166 1911,1167 4532,1168 10.751,1169 19.193,1170 26.697,1171 28.072,1172 27.085,1173 26.196,1174 25.75,1175 35.201,1177 74.242,1178 22.265,1179 5.266,1180 5.841,1181 5.813,1182 5.166,1183 5.072,1184 6.645,1186 17.314,1187 4.977,1188 8.94,1189 1.57,1190 1.651,1191 1.593,1192 1.541,1193 1.515,1194 2.071,1196 4.367,1197 1.31,1198 3.946,1199 3.931,1200 6.883,1201 3.995,1202 7.496,1203 3.914,1204 3.801,1205 3.792,1206 6.879,1207 3.893,1208 7.352,1209 3.788,1210 3.31,1211 3.288,1212 4.219,1213 3.17,1214 4.644,1215 3.179,1216 2.644,1217 2.634,1218 4.125,1219 2.655,1220 4.611,1221 2.518,1222 2.389,1223 2.462,1224 3.321,1225 2.518,1226 3.424,1227 2.28,1228 2.373,1229 2.403,1230 2.598,1231 2.392,1232 3.326,1233 2.274,1234 2.133,1235 2.062,1236 2.492,1237 2.145,1238 3.18,1239 2.076,1240 2.035,1241 1.959,1242 2.427,1243 1.77,1244 3.16,1245 1.782,1246 0.26,1247 0.226,1248 0.385,1249 0.239,1250 0.181,1251 4.425,1252 0.236,1253 3.841,1255 6.541,1256 0.594,1257 4.058,1258 0.179,1259 3.072,1260 4.007,1262 10.101,1263 3.036,1264 1.657,1265 1.671,1266 1.647,1267 1.762,1268 0.803,1269 1.743,1270 1.454,1271 1.44,1272 1.491,1273 1.501,1274 0.68,1275 1.533,1276 1.398,1277 1.403,1278 1.317,1279 1.413,1280 0.611,1281 1.472,1282 1.266,1283 1.297,1284 1.117,1285 1.222,1286 0.516,1287 1.322,1288 0.723,1289 0.74,1290 0.814,1291 0.892,1293 0.921,1294 0.015,1295 0.04,1296 0.231,1297 0.498,1299 0.391,1312 3.555,1314 4.875,1315 3.045,1316 6.354,1317 5.283,1318 7.904,1319 7.248,1320 9.495,1321 6.504,1340 17.435,1341 39.219,1342 62.439,1343 66.439,1344 66.439,1345 66.439,1346 66.439,1347 30.954,1348 5.67,1349 34.14,1350 90.62,1351 10,1352 11.841,1353 3.7,1354 3,1355 25.951,1356 40,1357 36,1358 0.333,1359 128.425,1360 212.36,1361 305.116,1362 1517,1363 10,1364 11.707,1365 0.732,1366 0.781,1367 14.414,1368 12.503,1369 7.575,1370 0.446,1371 0.441,1372 4.371,1373 5.465,1374 4.006,1375 3.266,1376 9.638,1377 7.493,1378 7.075,1379 0.295,1380 0.274,1381 9.81,1382 6.57,1383 5.787,1384 0.193,1385 0.172,1386 8.693,1387 5.168,1388 4.316,1389 0.12,1390 0.106,1391 7.084,1392 3.814,1393 2.746,1394 0.081,1395 0.067,1396 5.068,1397 2.276,1398 0.501,1399 72.433,1400 0.305,1401 16.052,1402 0.97,1403 82,1404 304.501,1405 262.514,1406 407.048,1407 512.78,1408 374,1409 95,1410 271.539,1411 216.369,1412 329.937,1413 481.54,1414 308,1415 4}
{0 CHEMBL190677,1 1.296,2 7,3 2.724,4 7.417,5 62.596,6 7.581,7 0.706,8 3.41,9 3.501,10 2.981,11 3.057,12 4.611,13 3.021,14 3.855,15 3.972,16 3.272,17 3.393,18 5.035,19 3.336,20 4.131,21 4.308,22 3.346,23 3.448,24 5.463,25 3.376,26 4.099,27 4.287,28 3.194,29 3.276,30 5.413,31 3.216,32 3.986,33 4.175,34 3.063,35 3.137,36 5.328,37 3.09,38 3.791,39 3.991,40 2.766,41 3.036,42 4.979,43 2.933,44 3.597,45 3.84,46 2.387,47 2.876,48 4.515,49 2.704,50 3.334,51 3.623,52 1.858,53 2.517,54 4.06,55 2.286,56 0.021,57 0.313,58 5.16,59 2.667,60 8.75,61 3.229,62 0.023,63 0.497,64 8.507,65 4.242,66 12.444,67 5.217,68 0.161,69 0.659,70 13.012,71 5.637,72 41.972,73 7.167,74 0.132,75 0.627,76 13.383,77 5.281,78 38.055,79 6.337,80 0.186,81 0.552,82 12.403,83 4.596,84 46.25,85 5.287,86 0.137,87 0.465,88 9.905,89 3.948,90 32.805,91 4.832,92 0.065,93 0.399,94 8.083,95 3.508,96 16.194,97 4.785,98 0.03,99 0.312,100 6.466,101 2.797,102 8.583,103 4.049,104 5,105 22,106 0.251,107 0.471,108 0.566,109 0.726,110 0.806,111 0.819,112 2.853,113 0.902,114 -3.93,115 -3.89,116 -3.69,121 50,129 1,144 10,145 2,159 1,176 12,180 1,185 1,187 12,192 3,195 1,197 3,200 7,206 4,211 4,214 4,219 3,224 3,227 8,232 1,237 1,239 10,251 8,264 4,277 1,281 256,282 10.88,283 10.88,284 10.88,285 10.88,286 10.88,287 9.336,288 6.375,289 6.695,290 10.881,291 8.369,292 8.369,293 8.369,294 8.369,295 8.369,296 6.13,297 6.543,298 3.173,299 8.371,300 3.512,301 2.373,302 1.883,303 1.054,304 0.643,305 0.571,306 3.503,311 1,312 1,313 234,314 2.646,318 107.525,325 1,326 17.576,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 34,338 112,339 4.306,340 3.83,341 6.525,342 4.038,343 3.035,344 3.782,345 1.848,346 10.021,347 3.039,348 3.9,349 2.829,350 5.7,351 3.499,352 2.499,353 3.456,354 0.443,355 7.565,356 2.496,357 3.334,358 2.18,359 4.597,360 2.884,361 1.882,362 2.637,364 4.575,365 1.882,366 2.938,367 1.818,368 3.761,369 2.496,370 1.496,371 2.111,373 3.19,374 1.493,375 2.575,376 1.323,377 3.478,378 2.097,379 1.093,380 1.564,382 2.564,383 1.093,384 2.5,385 1.148,386 3.247,387 2,388 1,389 1.5,391 2.136,392 1,393 2.5,394 1,395 3.247,396 2,397 1,398 1.5,400 2.136,401 1,402 1.872,403 1,404 3,405 1.427,406 0.425,407 0.569,409 0.965,410 0.416,411 0.749,412 -0.207,413 2.153,414 0.28,415 -0.743,416 -0.964,418 -1.602,419 -0.722,420 0.649,421 -0.456,422 1.555,423 0.224,424 -0.757,425 -1.077,427 -1.615,428 -0.767,429 0.5,430 -0.771,431 1.555,433 -1,434 -1.5,436 -2.347,437 -1,438 0.5,439 -1,440 1.539,442 -1,443 -1.5,445 -2.347,446 -1,447 -0.042,448 -1,449 1.247,450 -0.351,451 -1.348,452 -1.689,454 -3.437,455 -1.328,456 -0.462,457 -1.378,458 1,459 -0.674,460 -1.662,461 -2.165,463 -4.789,464 -1.683,465 -0.5,466 -1.696,467 1,468 -0.919,469 -1.919,470 -2.224,472 -4.789,473 -1.919,474 7.667,475 0.479,476 0.298,477 0.019,478 22.5,479 1.406,480 13.5,481 0.844,482 9,483 0.563,484 8.455,485 0.528,486 16.333,487 0.583,488 14.342,489 0.896,490 4.77,491 0.298,492 3.018,493 0.189,494 0.087,496 0.261,501 0.731,502 0.865,503 0.791,504 0.862,505 0.755,506 0.84,507 0.754,508 1.132,509 0.965,510 1.129,511 0.795,512 1.087,513 0.773,514 1.107,515 0.907,516 1.098,517 0.797,518 1.035,519 1.539,520 1.099,521 1.065,522 1.073,523 1.5,524 1.01,525 1.962,526 0.872,527 1.119,528 0.849,529 1.89,530 0.855,531 1.438,532 0.896,533 1.195,534 0.908,535 1.413,536 0.997,537 0.518,538 0.988,539 1.073,540 1.023,541 0.543,542 1.114,543 0.099,544 1.061,545 0.964,546 1.097,547 0.141,548 1.151,549 2,551 1.778,552 1.125,553 0.702,554 0.361,555 0.082,556 0.049,557 0.032,559 1909,560 5282,561 2.03,562 42.9,564 11,567 1,572 1.552,573 1.92,574 2.869,575 -0.352,577 1,579 1,582 36.283,583 1.296,584 2.435,585 2.924,586 3.753,587 4.164,588 4.236,589 2.25,590 2.156,591 3.975,592 2.909,593 349.047,594 6.695,595 2999.48,597 1,599 1,600 134.606,601 1.299,602 3.94,603 0.118,605 0.081,606 0.051,607 0.039,608 0.023,609 0.007,610 0.006,611 0.008,613 0.332,614 1,615 1,616 0.625,617 64.124,618 -0.07,619 0.104,620 -0.007,621 0.098,622 -0.129,623 0.062,624 -0.044,625 -0.174,626 -0.145,627 -0.176,628 -0.107,629 -0.176,630 0.214,631 -0.148,632 0.038,633 -0.142,634 0.21,635 -0.089,636 -0.112,637 -0.139,638 -0.04,639 -0.127,640 -0.059,641 -0.082,642 -0.248,643 0.098,644 -0.05,645 0.096,646 -0.19,647 0.06,648 -0.23,649 0.071,650 -0.197,651 0.051,652 -0.213,653 -0.048,654 -0.039,655 -0.026,656 -0.131,657 -0.039,658 -0.058,659 -0.089,660 0.104,661 -0.104,662 0.001,663 -0.1,664 0.075,665 -0.071,666 2.413,667 4.895,668 0.75,669 8.5,670 0.998,671 1.104,672 2.702,673 7.3,674 0.696,675 2.89,676 3.135,677 3.367,678 3.497,679 3.611,680 3.367,681 3.367,682 3.219,683 3.045,684 2.833,685 4.235,686 0.664,687 212.26,688 2.89,689 4.369,690 5.187,691 6.019,692 6.853,693 7.692,694 8.532,695 9.374,696 10.216,697 11.06,715 10,720 2,722 12,727 1,741 28,743 13,744 2,745 17,747 29,748 14,749 12,750 2,751 10,752 1,756 2,757 2,770 1,772 13,773 1,777 1,782 1,786 1,790 1,793 12,794 2,795 1,796 2,808 1,809 2,811 1,829 2,857 1,859 2,868 16,875 1,880 1,893 7.1,894 1,896 1,901 8.333,902 4.783,903 3.667,904 1.56,907 2.07,908 1.365,909 0.919,910 3.133,911 7.747,912 3.219,913 3.738,914 4.27,915 4.725,916 5.18,917 4.961,918 5.238,919 5.29,920 5.433,921 5.614,922 0.8,923 22,924 5.927,926 2.506,927 0.026,929 7.958,931 11.047,933 8.779,936 2.458,937 39.333,938 0.002,941 129.482,942 106.267,945 67.828,948 106.267,949 197.31,953 137.446,954 30.278,955 6.371,957 129.482,959 129.482,960 106.267,961 67.828,964 129.482,965 25.145,966 42.683,969 106.267,972 129.482,973 67.828,974 106.267,977 129.482,978 11.505,979 94.762,981 67.828,982 129.482,983 67.828,984 106.267,986 0.564,987 0.336,988 0.173,989 0.088,990 10,991 4,992 0.103,993 3,995 1,996 2.86,997 102.479,999 12,1000 56,1005 10.591,1006 4.732,1007 2.376,1009 67.828,1010 17.748,1015 1.148,1017 42.683,1018 303.577,1019 24,1024 11.895,1028 -0.271,1031 27.956,1032 30.91,1034 0.27,1035 0.506,1036 0.608,1037 0.781,1038 0.866,1039 0.881,1040 4.382,1041 0.425,1042 5.13,1043 2.136,1044 3.807,1045 4.419,1046 2.019,1047 5.878,1048 3.807,1049 5.551,1050 -0.743,1051 6.655,1052 0.965,1053 3.219,1054 3.829,1055 1.22,1056 6.706,1057 3.219,1058 6.813,1059 -0.757,1060 8.296,1061 -1.602,1062 5.323,1063 6.495,1064 2.917,1065 9.826,1066 5.325,1067 8.115,1068 -1,1069 10.008,1070 -1.615,1071 5.638,1072 6.736,1073 2.638,1074 11.522,1075 5.641,1076 9.452,1077 -1,1078 11.766,1079 -2.347,1080 7.165,1081 8.828,1082 3.984,1083 14.141,1084 7.17,1085 10.813,1086 -1.348,1087 13.553,1088 -2.347,1089 7.897,1090 9.483,1091 4.007,1092 16.164,1093 7.903,1094 12.194,1095 -1.662,1096 15.362,1097 -3.437,1098 9.178,1099 11.281,1100 5.117,1101 18.605,1102 9.185,1103 3.035,1104 -1.919,1105 17.184,1106 -4.789,1107 10.107,1108 12.174,1109 5.332,1110 20.771,1111 10.116,1112 2.499,1113 10.021,1114 19.017,1115 -4.789,1116 11.282,1117 13.798,1118 6.282,1119 23.138,1120 11.293,1121 1.882,1122 7.565,1123 20.857,1124 3.782,1125 12.304,1126 14.839,1127 6.624,1128 25.372,1129 12.317,1130 1.496,1131 4.575,1132 22.703,1133 3.456,1134 13.435,1135 16.355,1136 7.467,1137 27.706,1138 13.45,1139 1.093,1140 3.19,1141 24.553,1142 2.637,1143 14.501,1144 17.491,1145 7.895,1146 29.974,1147 14.517,1148 1,1149 2.564,1150 26.407,1151 2.111,1152 15.616,1153 18.937,1154 8.665,1155 32.293,1156 15.633,1157 1,1158 2.136,1159 28.264,1160 1.564,1161 16.703,1162 20.136,1163 9.152,1164 34.578,1165 16.722,1166 1941,1167 3285,1168 11.326,1169 19.477,1170 25.262,1171 25.91,1172 25.698,1173 24.882,1174 24.86,1175 34.238,1176 4.582,1177 66.301,1178 24.84,1179 5.124,1180 5.83,1181 6.327,1182 5.038,1183 5.035,1184 6.782,1185 3.376,1186 17.141,1187 5.039,1188 5.991,1189 1.486,1190 1.524,1191 1.512,1192 1.464,1193 1.462,1194 2.014,1195 0.27,1196 3.9,1197 1.461,1198 3.975,1199 3.996,1200 3.917,1201 3.908,1202 7.428,1203 3.906,1204 3.849,1205 3.879,1206 3.776,1207 3.795,1208 6.444,1209 3.786,1210 3.396,1211 3.411,1212 3.319,1213 3.225,1214 4.742,1215 3.243,1216 2.888,1217 2.925,1218 2.783,1219 2.755,1220 4.708,1221 2.751,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.674,1227 2.715,1228 2.854,1229 2.924,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 2.579,1235 2.641,1236 2.416,1237 2.365,1238 3.65,1239 2.369,1240 2.387,1241 2.406,1242 2.238,1243 1.883,1244 3.535,1245 1.968,1246 0.253,1247 0.225,1248 0.384,1249 0.238,1250 0.179,1251 4.306,1252 0.222,1253 3.83,1254 0.109,1255 6.525,1256 0.589,1257 4.038,1258 0.179,1259 3.035,1260 3.782,1261 1.848,1262 10.021,1263 3.039,1264 1.947,1265 1.926,1266 2.056,1267 2.034,1268 1.16,1269 2.041,1270 1.862,1271 1.834,1272 1.991,1273 1.941,1274 1.049,1275 1.959,1276 1.323,1277 1.304,1278 1.48,1279 1.536,1280 0.59,1281 1.515,1282 0.886,1283 0.826,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.867,1295 0.821,1296 1.095,1297 1.058,1298 0.179,1299 1.062,1300 0.543,1301 0.483,1302 0.888,1303 0.833,1305 0.851,1306 0.15,1307 0.12,1308 0.528,1309 0.66,1311 0.616,1312 3.555,1314 4.812,1316 6.29,1318 7.852,1320 9.454,1327 9.893,1332 -1.08,1340 18.59,1341 36.283,1342 68.167,1343 81.877,1344 105.096,1345 116.606,1346 118.606,1347 27.652,1348 5.677,1349 37.3,1350 37.3,1351 12,1352 11.623,1353 3.807,1354 3,1355 25.898,1356 40,1357 34,1358 0.328,1359 117.777,1360 203.34,1361 279.136,1362 1629,1364 11.38,1365 0.711,1366 0.544,1367 11.38,1368 8.706,1369 7.788,1370 0.458,1371 0.301,1372 5.08,1373 7.661,1374 4.967,1375 4.145,1376 7.788,1377 5.111,1378 6.514,1379 0.296,1380 0.161,1381 6.514,1382 3.543,1383 5.616,1384 0.201,1385 0.086,1386 5.616,1387 2.422,1388 4.179,1389 0.131,1390 0.048,1391 4.179,1392 1.547,1393 3.131,1394 0.087,1395 0.027,1396 3.131,1397 0.979,1398 0.493,1399 47.881,1400 0.297,1401 16.153,1402 0.954,1403 78,1404 227.885,1405 82.207,1406 223.85,1407 297.16,1408 208,1409 89,1410 204.909,1411 93.761,1412 210.833,1413 305.45,1414 199,1415 4}
{0 CHEMBL191084,1 1.401,2 10.483,3 4.159,4 17.294,5 118.799,6 6.817,7 0.531,8 4.118,9 4.252,10 3.625,11 3.663,12 5.129,13 3.622,14 4.681,15 4.891,16 3.974,17 4.061,18 5.608,19 4.003,20 4.914,21 5.12,22 4.097,23 4.257,24 5.853,25 4.17,26 5.088,27 5.335,28 4.084,29 4.275,30 6.037,31 4.174,32 5.045,33 5.276,34 4.121,35 4.29,36 6.065,37 4.195,38 5.084,39 5.306,40 4.06,41 4.34,42 6.031,43 4.215,44 5.175,45 5.451,46 3.945,47 4.301,48 6.044,49 4.156,50 4.989,51 5.237,52 3.8,53 4.208,54 5.85,55 4.045,56 0.044,57 0.844,58 12.773,59 5.173,60 8.412,61 7.374,62 0.291,63 1.394,64 24.107,65 8.089,66 19.713,67 12.071,68 0.214,69 1.7,70 30.128,71 11.26,72 23.711,73 16.294,74 0.355,75 1.871,76 37.448,77 12.577,78 50.304,79 18.462,80 0.511,81 1.83,82 35.694,83 12.384,84 58.433,85 17.814,86 0.247,87 1.878,88 36.279,89 13.968,90 43.77,91 19.864,92 0.454,93 1.953,94 41.555,95 14.007,96 58.962,97 20.627,98 0.325,99 1.668,100 33.381,101 13.012,102 42.803,103 18.661,104 17,105 45,106 0.229,107 0.518,108 0.688,109 0.799,110 0.826,111 0.826,112 3.409,113 0.953,114 -4.76,115 -4.67,116 -4.39,121 42.1,122 1,126 2,127 5,144 9,145 4,148 1,149 1,160 1,176 13,179 2,180 7,187 13,191 1,192 12,200 9,206 10,214 5,218 5,219 10,227 7,232 7,239 9,244 5,251 11,255 2,256 6,264 11,269 5,277 8,281 1435,282 19.621,283 19.621,284 19.621,285 19.621,286 19.621,287 17.487,288 21.385,289 11.589,290 19.976,291 15.773,292 15.773,293 15.773,294 15.773,295 15.773,296 12.551,297 29.528,298 5.516,299 16.321,300 4.432,301 2.663,302 1.621,303 0.945,304 0.777,305 0.777,306 4.104,311 1,312 1,313 658,314 3.317,318 322.011,322 127.381,325 1.567,326 18.878,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 61,338 304,339 4.703,340 3.748,341 7.019,342 4.299,343 3.317,344 4.606,345 1.23,346 11.931,347 3.263,348 4.022,349 3.265,350 6.3,351 3.761,352 2.817,353 3.508,354 0.8,355 9.399,356 2.661,357 3.99,358 2.885,359 5.996,360 3.63,361 2.664,362 3.455,363 0.8,364 8.385,365 2.57,366 3.839,367 2.739,368 5.514,369 3.427,370 2.432,371 3.253,372 0.521,373 7.198,374 2.417,375 3.436,376 2.608,377 5.233,378 3.264,379 2.328,380 2.536,382 6.331,383 2.178,384 3.266,385 2.257,386 5.051,387 2.945,388 1.996,389 2.421,391 5.842,392 1.885,393 2.946,394 1.979,395 4.699,396 2.571,397 1.624,398 2.137,400 4.728,401 1.535,402 2.897,403 1.717,404 4.046,405 2.459,406 1.46,407 2.05,409 3.261,410 1.455,411 2.807,412 1.457,413 3.709,414 2.398,415 1.402,416 1.867,418 3.017,419 1.395,420 2.5,421 1.433,422 3.637,423 2.04,424 1.05,425 1.5,427 2.675,428 1.033,429 2.401,430 1.146,431 3.493,432 2,433 1,434 1.355,436 2.275,437 1,438 2.171,439 1,440 3.414,441 1.967,442 1,443 1,445 2.136,446 0.965,447 2,448 0.999,449 3.247,450 1.735,451 0.746,452 0.979,454 1.902,455 0.731,456 1.354,457 0.494,458 2.974,459 1.033,460 0.041,461 0.049,463 0.097,464 0.04,465 1.172,466 0.129,467 2.755,468 0.805,469 -0.162,470 -0.192,472 -0.405,473 -0.157,474 13.933,475 0.48,476 0.716,477 0.025,478 37,479 1.276,480 18,481 0.621,482 19,483 0.655,484 25.957,485 0.895,486 31.067,487 0.545,488 29.065,489 1.002,490 7.492,491 0.258,492 6.549,493 0.226,494 0.132,496 0.337,501 0.761,502 1.49,503 0.855,504 1.173,505 0.587,506 1.045,507 1.12,508 0.906,509 0.914,510 0.769,511 0.601,512 0.795,513 0.974,514 1.221,515 1.013,516 1.14,517 0.82,518 1.085,519 1.475,520 1.055,521 1,522 0.949,523 1.584,524 0.931,525 1.316,526 0.89,527 1.03,528 0.931,529 1.487,530 0.951,531 1.139,532 1.251,533 1.12,534 1.252,535 1.385,536 1.203,537 1.475,538 0.812,539 1.069,540 0.844,541 1.563,542 0.904,543 0.898,544 1.069,545 1.134,546 1.16,547 1.148,548 1.179,549 5,550 0.045,551 3.333,552 2.125,553 2.311,554 1.361,555 0.872,556 0.483,557 0.345,558 0.184,559 9994,560 21319,561 2.09,562 49.1,563 3,564 25,572 1.726,573 1.955,574 3.331,575 -0.819,577 1,582 79.83,583 1.401,584 3.17,585 4.212,586 4.888,587 5.056,588 5.056,589 2.84,590 4.375,591 4.826,592 3.472,593 1409.78,594 8.446,595 18429.1,597 1,599 1,600 332.475,601 1.416,602 4.788,603 0.156,604 0.003,605 0.074,606 0.043,607 0.049,608 0.028,609 0.019,610 0.012,611 0.01,612 0.007,613 0.402,614 0.33,615 1,616 0.562,617 144.753,618 0.043,619 -0.291,620 0.078,621 -0.104,622 -0.015,623 -0.028,624 0.003,625 0.252,626 0.077,627 0.196,628 0.039,629 0.157,630 0.003,631 -0.134,632 -0.046,633 -0.132,634 0.032,635 -0.098,636 -0.109,637 -0.046,638 0.015,639 0.009,640 -0.055,641 0.023,642 0.101,643 0.154,644 -0.018,645 0.035,646 0.071,647 0.003,648 -0.062,649 -0.253,650 -0.148,651 -0.234,652 -0.057,653 -0.207,654 -0.2,655 0.151,656 -0.056,657 0.105,658 -0.155,659 0.051,660 0.003,661 -0.103,662 -0.17,663 -0.148,664 -0.098,665 -0.177,666 1.625,667 6.542,668 0.759,669 26.566,670 0.988,671 1.126,672 3.525,673 12.428,674 0.66,675 3.497,676 3.829,677 4.127,678 4.407,679 4.691,680 4.745,681 4.898,682 5.024,683 5.1,684 5.088,685 6.109,686 0.616,687 388.56,688 3.497,689 5.043,690 5.905,691 6.792,692 7.676,693 8.573,694 9.468,695 10.37,696 11.271,697 12.177,698 7,701 1,704 1,705 1,708 1,714 2,715 9,716 1,720 4,722 17,730 1,736 1,741 57,743 18,744 2,745 32,747 60,748 24,749 15,750 3,751 9,752 1,756 4,757 5,763 1,772 16,773 8,777 1,782 1,786 1,790 1,793 28,794 5,796 5,802 4,808 0.75,809 1,822 1,829 4,833 1,855 1,859 3,864 3,868 29,876 5,881 3,893 1.8,896 1,901 14.833,902 11.217,903 6.361,904 3.44,907 3.168,908 1.417,909 0.992,910 5.727,911 10.763,912 3.75,913 4.344,914 4.951,915 5.552,916 6.155,917 6.428,918 6.84,919 7.212,920 7.514,921 7.559,922 1,923 49,924 10.771,926 4.528,927 0.026,929 7.54,931 21.067,933 17.374,936 2.04,937 59.167,939 1,940 1,941 329.591,942 142.739,943 26.158,945 25.145,948 142.739,949 354.736,950 26.158,951 25.618,952 13.653,953 85.286,954 46.635,955 20.522,956 2.328,957 329.591,959 329.591,960 168.898,961 25.145,964 329.591,965 25.145,968 27.746,969 124.366,970 16.786,972 329.591,973 51.303,974 142.739,977 329.591,978 31.835,979 120.277,981 41.93,982 329.591,983 51.303,984 142.739,986 0.583,987 0.347,988 0.19,989 0.111,990 22,991 10,992 0.067,993 4,994 1,995 1.091,996 3.937,997 265.698,998 0.091,999 22,1000 132.881,1005 19.72,1006 8.421,1007 4.084,1008 1.802,1009 51.303,1010 18.086,1011 4.947,1015 3.799,1018 523.633,1019 41.5,1024 13.542,1028 0.042,1031 56.338,1032 64.185,1034 0.24,1035 0.544,1036 0.722,1037 0.838,1038 0.867,1039 0.867,1040 4.992,1041 1.46,1042 5.894,1043 4.728,1044 4.511,1045 5.03,1046 1.848,1047 6.73,1048 4.447,1049 6.191,1050 1.402,1051 7.469,1052 3.261,1053 4.111,1054 4.832,1055 0.766,1056 7.692,1057 4.005,1058 7.497,1059 1.05,1060 9.149,1061 3.017,1062 6.12,1063 7.236,1064 1.783,1065 10.847,1066 5.995,1067 8.841,1068 1,1069 10.892,1070 2.675,1071 6.553,1072 7.906,1073 0.997,1074 12.669,1075 6.398,1076 10.222,1077 1,1078 12.676,1079 2.275,1080 8.034,1081 9.792,1082 1.934,1083 15.364,1084 7.861,1085 11.63,1086 0.746,1087 14.491,1088 2.136,1089 8.856,1090 10.89,1091 1.289,1092 17.551,1093 8.665,1094 13.059,1095 0.041,1096 16.327,1097 1.902,1098 10.133,1099 12.562,1100 2.179,1101 20.094,1102 9.925,1103 3.317,1104 -0.162,1105 18.18,1106 0.097,1107 11.143,1108 13.878,1109 1.658,1110 22.441,1111 10.922,1112 2.817,1113 11.931,1114 20.048,1115 -0.405,1116 12.345,1117 15.458,1118 2.474,1119 24.934,1120 12.11,1121 2.664,1122 9.399,1123 21.926,1124 4.606,1125 13.445,1126 16.884,1127 2.071,1128 27.352,1129 13.199,1130 2.432,1131 8.385,1132 23.814,1133 3.508,1134 14.625,1135 18.427,1136 2.801,1137 29.83,1138 14.367,1139 2.328,1140 7.198,1141 25.711,1142 3.455,1143 15.769,1144 19.905,1145 2.503,1146 32.28,1147 15.5,1148 1.996,1149 6.331,1150 27.613,1151 3.253,1152 16.947,1153 21.436,1154 3.148,1155 34.754,1156 16.666,1157 1.624,1158 5.842,1159 29.522,1160 2.536,1161 18.113,1162 22.939,1163 2.942,1164 37.219,1165 17.822,1166 9533,1167 14052,1168 21.383,1169 37.614,1170 48.35,1171 49.017,1172 49.913,1173 47.847,1174 47.753,1175 61.43,1176 6.703,1177 138.354,1178 46.257,1179 5.703,1180 5.748,1181 6.821,1182 5.367,1183 5.317,1184 7.606,1185 2.335,1186 19.558,1187 5.263,1188 13.386,1189 1.511,1190 1.532,1191 1.56,1192 1.495,1193 1.492,1194 1.92,1195 0.209,1196 4.324,1197 1.446,1198 4.111,1199 4.14,1200 4.079,1201 4.033,1202 7.428,1203 4.04,1204 3.911,1205 3.946,1206 3.837,1207 3.848,1208 4.96,1209 3.841,1210 3.806,1211 3.879,1212 3.693,1213 3.62,1214 4.752,1215 3.628,1216 3.597,1217 3.644,1218 3.52,1219 3.457,1220 4.452,1221 3.462,1222 3.455,1223 3.525,1224 3.343,1225 3.256,1226 4.276,1227 3.269,1228 3.185,1229 3.286,1230 3.025,1231 2.957,1232 4.126,1233 2.962,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.946,1239 2.91,1240 3.02,1241 3.081,1242 2.865,1243 2.852,1244 3.777,1245 2.837,1246 0.147,1247 0.117,1248 0.219,1249 0.134,1250 0.104,1251 4.703,1252 0.144,1253 3.748,1254 0.038,1255 7.019,1256 0.373,1257 4.299,1258 0.102,1259 3.317,1260 4.606,1261 1.23,1262 11.931,1263 3.263,1264 2.057,1265 2.036,1266 2.125,1267 2.152,1268 1.322,1269 2.145,1270 1.91,1271 1.88,1272 2.04,1273 2.005,1274 1.227,1275 2.018,1276 1.761,1277 1.691,1278 1.969,1279 1.973,1280 1.159,1281 1.979,1282 1.563,1283 1.519,1284 1.755,1285 1.746,1286 0.851,1287 1.747,1288 1.42,1289 1.346,1290 1.686,1291 1.637,1292 0.825,1293 1.658,1294 1.169,1295 1.068,1296 1.541,1297 1.452,1298 0.788,1299 1.487,1300 1.153,1301 1.064,1302 1.513,1303 1.376,1304 0.641,1305 1.429,1306 1.019,1307 0.956,1308 1.363,1309 1.236,1310 0.501,1311 1.278,1312 4.174,1314 5.501,1316 7.038,1318 8.671,1320 10.357,1322 6.057,1328 4.447,1333 6.445,1340 35.122,1341 79.83,1342 180.705,1343 240.071,1344 278.6,1345 288.21,1346 288.21,1347 45.866,1348 7.595,1349 39.68,1350 39.68,1351 24,1352 12.696,1353 4.248,1354 3.392,1355 44.37,1356 101,1357 119,1358 0.208,1359 216.24,1360 370.65,1361 519.385,1362 20010,1364 20.38,1365 0.703,1366 0.601,1367 20.38,1368 17.429,1369 14.042,1370 0.439,1371 0.318,1372 10.039,1373 13.605,1374 9.664,1375 8.068,1376 14.042,1377 10.166,1378 12.641,1379 0.281,1380 0.175,1381 12.641,1382 7.89,1383 10.92,1384 0.179,1385 0.094,1386 10.92,1387 5.736,1388 9.022,1389 0.111,1390 0.05,1391 9.022,1392 4.016,1393 7.71,1394 0.071,1395 0.027,1396 7.71,1397 2.929,1398 0.317,1399 87.167,1400 0.216,1401 27.097,1402 0.599,1403 154,1404 378.316,1405 164.568,1406 373.927,1407 521.12,1408 352,1409 183,1410 388.496,1411 195.706,1412 401.067,1413 588.43,1414 375,1415 5}
{0 CHEMBL1912058,1 1.584,2 14.452,3 5.728,4 32.808,5 135.939,6 7.59,7 0.324,8 4.209,9 4.333,10 3.921,11 3.858,12 5.109,13 3.748,14 4.81,15 4.996,16 4.2,17 4.275,18 5.666,19 4.129,20 5.123,21 5.375,22 4.156,23 4.37,24 5.918,25 4.193,26 5.059,27 5.309,28 4.102,29 4.289,30 5.904,31 4.131,32 5.039,33 5.285,34 4.03,35 4.29,36 5.835,37 4.118,38 5.067,39 5.32,40 4.009,41 4.287,42 5.854,43 4.086,44 5.069,45 5.349,46 3.972,47 4.196,48 5.821,49 3.981,50 4.933,51 5.22,52 3.864,53 4.007,54 5.758,55 3.809,56 0.059,57 0.915,58 17.696,59 7.118,60 5.541,61 8.837,62 0.192,63 1.555,64 31.636,65 12.534,66 19.031,67 16.233,68 0.356,69 1.957,70 51.187,71 16.944,72 36.033,73 21.52,74 0.45,75 1.84,76 43.354,77 14.426,78 42.091,79 19.167,80 0.328,81 1.79,82 41.036,83 14.58,84 33.418,85 19.323,86 0.379,87 1.775,88 43.433,89 15.696,90 39.782,91 20.713,92 0.349,93 1.702,94 47.551,95 15.576,96 34.344,97 20.626,98 0.427,99 1.458,100 44.968,101 12.961,102 39.754,103 17.018,104 5,105 45,106 0.256,107 0.53,108 0.73,109 0.866,110 0.9,111 0.9,112 3.471,113 1.267,114 -5.17,115 -5.06,116 -4.74,121 38.1,123 10,127 3,129 1,144 3,145 2,146 2,148 2,160 1,176 9,180 5,183 1,185 5,187 13,192 4,197 3,200 8,206 5,209 1,210 1,211 5,214 11,219 1,224 2,227 10,232 1,235 1,237 4,239 11,244 1,249 4,251 5,256 2,259 1,261 5,264 4,269 2,274 2,277 5,281 1802,282 21.397,283 21.397,284 21.397,285 21.397,286 21.397,287 19.93,288 22.013,289 13.17,290 21.941,291 16.852,292 16.852,293 16.852,294 16.852,295 16.852,296 14.456,297 21.71,298 6.331,299 17.717,300 4.394,301 2.703,302 1.465,303 0.627,304 0.413,305 0.413,306 4.172,308 1,312 1,313 981,314 3.937,317 100.062,318 226.587,322 259.934,325 2.121,326 22.504,329 1,330 0.67,331 0.83,332 1,333 1,334 1,335 1,336 0.93,337 64.833,338 448,339 4.651,340 4.08,341 6.833,342 4.214,343 3.235,344 4.582,345 1.907,346 11.364,347 3.165,348 3.99,349 3.574,350 6.004,351 3.58,352 2.61,353 3.534,354 0.4,355 8.477,356 2.532,357 3.661,358 3.373,359 5.427,360 3.468,361 2.545,362 2.961,363 0.149,364 6.998,365 2.397,366 3.583,367 3.354,368 5.353,369 3.377,370 2.377,371 2.829,373 6.886,374 2.296,375 3.538,376 2.943,377 5.034,378 3.19,379 2.25,380 2.699,382 6.09,383 2.1,384 3.365,385 2.562,386 4.899,387 2.882,388 1.982,389 2.54,391 5.573,392 1.705,393 2.75,394 2.272,395 4.121,396 2.647,397 1.674,398 1.788,400 3.571,401 1.625,402 2.615,403 1.861,404 3.957,405 2.489,406 1.519,407 1.631,409 3.374,410 1.464,411 2.546,412 1.663,413 3.714,414 2.422,415 1.431,416 1.538,418 3.212,419 1.412,420 2.488,421 1.543,422 3.625,423 2.249,424 1.257,425 1.487,427 3.042,428 1.246,429 2.166,430 1.434,431 3.523,432 2.068,433 1.15,434 1.161,436 2.558,437 1.041,438 2.096,439 1.328,440 3.289,441 1.957,442 1.005,443 1.062,445 2.273,446 0.937,447 1.786,448 1.092,449 3.034,450 1.59,451 0.627,452 0.694,454 1.409,455 0.596,456 1.618,457 0.919,458 3,459 1.571,460 0.618,461 0.618,463 1.372,464 0.579,465 1.382,466 0.73,467 2.866,468 1.25,469 0.288,470 0.304,472 0.638,473 0.272,474 15.914,475 0.513,476 0.554,477 0.018,478 31,479 1,480 12,481 0.387,482 19,483 0.613,484 37.096,485 1.197,486 34.486,487 0.547,488 17.329,489 0.559,490 4.157,491 0.134,492 11.046,493 0.356,494 0.066,496 0.251,501 0.689,502 1.159,503 0.626,504 0.848,505 0.525,506 0.959,507 0.669,508 1.204,509 0.862,510 1.036,511 0.504,512 1.066,513 1.049,514 1.063,515 1.008,516 1.011,517 0.96,518 0.954,519 1.133,520 0.948,521 0.845,522 0.868,523 1.148,524 0.953,525 1.118,526 0.994,527 0.831,528 0.898,529 1.156,530 1.009,531 0.853,532 1.058,533 0.832,534 0.978,535 1.04,536 1.086,537 0.93,538 1.031,539 0.843,540 0.926,541 0.985,542 0.986,543 1.336,544 0.883,545 0.978,546 0.847,547 1.342,548 0.878,549 4.5,550 0.119,551 2.667,552 1.722,553 1.516,554 0.601,555 0.518,556 0.261,557 0.231,558 0.2,559 15811,560 38983,561 2.123,562 50.8,563 10,564 10,567 2,568 4,569 2,570 4,572 1.73,573 2.044,574 3.722,575 0.193,582 99.775,583 1.584,584 3.274,585 4.512,586 5.35,587 5.565,588 5.565,589 3.168,590 4.632,591 4.924,592 3.995,593 1857.45,594 8.563,595 28953.1,600 376.569,601 1.14,602 4.91,603 0.132,604 0.005,605 0.059,606 0.039,607 0.037,608 0.016,609 0.015,610 0.009,611 0.009,612 0.008,613 0.329,614 0.17,615 0.88,616 0.415,617 166.296,618 -0.007,619 0.017,620 0.151,621 0.126,622 0.028,623 0.058,624 0.064,625 -0.11,626 -0.015,627 -0.055,628 0.102,629 -0.066,630 -0.073,631 -0.055,632 -0.066,633 -0.041,634 -0.029,635 0.018,636 -0.028,637 0.07,638 -0.046,639 -0.009,640 -0.05,641 -0.02,642 -0.138,643 0.007,644 -0.072,645 -0.028,646 -0.113,647 -0.062,648 0.046,649 -0.106,650 -0.044,651 -0.092,652 -0.029,653 -0.121,654 0.041,655 -0.132,656 0.044,657 -0.047,658 -0.005,659 -0.023,660 0.003,661 0.021,662 0.034,663 0.02,664 -0.017,665 0.059,666 1.477,667 5.109,668 0.613,669 36.352,670 0.99,671 1.122,672 3.942,673 15.536,674 0.683,675 3.555,676 3.829,677 4.078,678 4.344,679 4.554,680 4.644,681 4.762,682 4.875,683 4.927,684 4.812,685 8.595,686 0.617,687 478.18,688 3.555,689 5.069,690 5.9,691 6.758,692 7.612,693 8.484,694 9.352,695 10.232,696 11.109,697 11.997,698 4.8,703 1,705 1,708 1,714 2,715 3,716 1,720 4,722 11,734 1,740 1,741 63,743 12,744 1,745 34,747 66,748 24,749 9,750 3,751 3,756 4,757 7,758 1,767 6,770 11,772 10,773 14,777 1,782 1,786 1,793 32,794 4,795 2,796 7,797 3,802 3,808 0.5,809 1,822 1,828 1,829 3,833 2,843 1,859 2,861 1,862 2,865 1,868 31,876 13,877 2,879 2,880 1,892 1,893 1.6,896 1,901 15.167,902 10.926,903 6.944,904 4.372,907 2.431,908 1.314,909 0.98,910 8.976,911 10.18,912 3.726,913 4.241,914 4.779,915 5.367,916 5.957,917 6.324,918 6.692,919 7.061,920 7.341,921 7.206,922 1,923 44,924 11.571,926 4.87,927 0.026,929 7.477,931 23.214,933 19.772,936 1.977,937 61.278,941 353.133,942 140.87,943 52.807,944 39.149,945 25.145,947 60.363,948 80.507,949 417.427,950 52.807,952 48.467,953 28.429,954 64.646,955 16.917,957 413.497,958 39.149,959 353.133,960 133.314,961 25.145,962 99.512,964 282.506,965 95.772,968 53.368,969 45.149,970 73.945,971 60.363,972 353.133,973 77.952,974 180.019,977 353.133,978 112.441,979 28.429,980 36.022,981 81.079,982 353.133,983 77.952,984 180.019,986 0.564,987 0.321,988 0.178,989 0.095,990 20,991 8,992 0.152,993 10,994 2,995 1.211,996 4.494,997 261.965,998 0.211,999 19,1000 151.58,1001 2,1005 23.381,1006 11.901,1007 6.613,1008 2.117,1009 77.952,1010 5.976,1011 4.882,1015 4.52,1017 36.022,1018 611.104,1019 40.5,1024 12.109,1028 0.19,1031 62.363,1032 70.716,1034 0.265,1035 0.548,1036 0.755,1037 0.895,1038 0.931,1039 0.931,1040 4.954,1041 1.519,1042 5.844,1043 3.571,1044 4.511,1045 4.927,1046 1.997,1047 6.605,1048 4.421,1049 6.101,1050 1.431,1051 7.361,1052 3.374,1053 3.892,1054 4.732,1055 1.593,1056 7.424,1057 3.744,1058 7.382,1059 1.257,1060 8.985,1061 3.212,1062 6.038,1063 7.079,1064 2.907,1065 10.566,1066 5.884,1067 8.705,1068 1.15,1069 10.678,1070 3.042,1071 6.312,1072 7.806,1073 3.032,1074 12.32,1075 6.118,1076 10.07,1077 1.005,1078 12.42,1079 2.558,1080 7.858,1081 9.637,1082 4.038,1083 14.977,1084 7.658,1085 11.464,1086 0.627,1087 14.196,1088 2.273,1089 8.579,1090 10.79,1091 4.409,1092 17.123,1093 8.354,1094 12.883,1095 0.618,1096 15.999,1097 1.409,1098 9.879,1099 12.43,1100 5.25,1101 19.628,1102 9.644,1103 3.235,1104 0.288,1105 17.823,1106 1.372,1107 10.828,1108 13.784,1109 5.75,1110 21.938,1111 10.575,1112 2.61,1113 11.364,1114 19.663,1115 0.638,1116 12.03,1117 15.35,1118 6.501,1119 24.392,1120 11.765,1121 2.545,1122 8.477,1123 21.517,1124 4.582,1125 13.092,1126 16.795,1127 7.068,1128 26.771,1129 12.81,1130 2.377,1131 6.998,1132 23.381,1133 3.534,1134 14.262,1135 18.332,1136 7.771,1137 29.209,1138 13.965,1139 2.25,1140 6.886,1141 25.255,1142 2.961,1143 15.379,1144 19.819,1145 8.374,1146 31.616,1147 15.065,1148 1.982,1149 6.09,1150 27.136,1151 2.829,1152 16.541,1153 21.345,1154 9.051,1155 34.048,1156 16.211,1157 1.674,1158 5.573,1159 29.024,1160 2.699,1161 17.685,1162 22.851,1163 9.674,1164 36.468,1165 17.336,1166 14817,1167 23424,1168 23.345,1169 43.046,1170 48.985,1171 53.544,1172 49.946,1173 49.398,1174 49.185,1175 58.918,1176 4.912,1177 133.806,1178 46.785,1179 5.641,1180 6.08,1181 6.603,1182 5.259,1183 5.235,1184 7.582,1185 3.306,1186 18.902,1187 5.165,1188 10.67,1189 1.441,1190 1.575,1191 1.469,1192 1.453,1193 1.447,1194 1.733,1195 0.144,1196 3.935,1197 1.376,1198 4.115,1199 4.144,1200 4.233,1201 4.046,1202 7.429,1203 4.05,1204 3.827,1205 3.875,1206 4.124,1207 3.795,1208 5.037,1209 3.711,1210 3.737,1211 3.78,1212 3.779,1213 3.661,1214 4.685,1215 3.646,1216 3.701,1217 3.759,1218 3.65,1219 3.563,1220 4.283,1221 3.542,1222 3.565,1223 3.625,1224 3.462,1225 3.437,1226 4.216,1227 3.409,1228 3.349,1229 3.417,1230 3.379,1231 3.196,1232 4.157,1233 3.186,1234 3.233,1235 3.284,1236 3.237,1237 3.096,1238 4.062,1239 3.078,1240 3.135,1241 3.213,1242 3.009,1243 2.968,1244 3.938,1245 2.963,1246 0.137,1247 0.12,1248 0.201,1249 0.124,1250 0.095,1251 4.651,1252 0.135,1253 4.08,1254 0.056,1255 6.833,1256 0.334,1257 4.214,1258 0.093,1259 3.235,1260 4.582,1261 1.907,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.148,1267 2.158,1268 1.435,1269 2.158,1270 1.776,1271 1.723,1272 2,1273 1.948,1274 1.38,1275 1.967,1276 1.75,1277 1.709,1278 1.93,1279 1.865,1280 1.217,1281 1.894,1282 1.654,1283 1.587,1284 1.892,1285 1.847,1286 1.141,1287 1.872,1288 1.521,1289 1.461,1290 1.769,1291 1.701,1292 1.122,1293 1.731,1294 1.314,1295 1.261,1296 1.546,1297 1.534,1298 0.845,1299 1.553,1300 1.24,1301 1.198,1302 1.469,1303 1.397,1304 0.757,1305 1.435,1306 1.135,1307 1.061,1308 1.421,1309 1.346,1310 0.637,1311 1.378,1312 4.234,1314 5.517,1315 2.398,1316 6.993,1317 4.443,1318 8.575,1319 6.26,1320 10.225,1323 6.205,1328 13.71,1329 6.74,1331 4.018,1332 0.81,1340 38.883,1341 99.775,1342 206.271,1343 284.246,1344 337.059,1345 350.569,1346 350.569,1347 55.691,1348 7.75,1349 54.02,1350 104.62,1351 23,1352 12.53,1353 3.7,1354 2.907,1355 49.936,1356 160,1357 162,1358 0.146,1359 248.823,1360 430.7,1361 598.887,1362 29829,1363 1.6,1364 21.468,1365 0.693,1366 0.659,1367 22.675,1368 20.441,1369 15.204,1370 0.447,1371 0.422,1372 11.72,1373 13.708,1374 11.305,1375 9.286,1376 16.571,1377 14.364,1378 13.128,1379 0.292,1380 0.26,1381 14.805,1382 11.71,1383 10.745,1384 0.185,1385 0.161,1386 12.391,1387 9.352,1388 9.003,1389 0.118,1390 0.1,1391 10.645,1392 7.635,1393 7.056,1394 0.075,1395 0.049,1396 7.9,1397 4.613,1398 0.241,1399 105.832,1400 0.207,1401 30.149,1402 0.371,1403 158,1404 377.971,1405 222.453,1406 440.165,1407 592.52,1408 414,1409 182,1410 376.271,1411 239.353,1412 419.371,1413 609.67,1414 399,1415 9.327}
{0 CHEMBL1912059,1 1.584,2 14.452,3 5.728,4 32.808,5 135.939,6 7.59,7 0.324,8 4.209,9 4.333,10 3.921,11 3.858,12 5.109,13 3.748,14 4.81,15 4.996,16 4.2,17 4.275,18 5.666,19 4.129,20 5.123,21 5.375,22 4.156,23 4.37,24 5.918,25 4.193,26 5.059,27 5.309,28 4.102,29 4.289,30 5.904,31 4.131,32 5.039,33 5.285,34 4.03,35 4.29,36 5.835,37 4.118,38 5.067,39 5.32,40 4.009,41 4.287,42 5.854,43 4.086,44 5.069,45 5.349,46 3.972,47 4.196,48 5.821,49 3.981,50 4.933,51 5.22,52 3.864,53 4.007,54 5.758,55 3.809,56 0.059,57 0.915,58 17.696,59 7.118,60 5.541,61 8.837,62 0.192,63 1.555,64 31.636,65 12.534,66 19.031,67 16.233,68 0.356,69 1.957,70 51.187,71 16.944,72 36.033,73 21.52,74 0.45,75 1.84,76 43.354,77 14.426,78 42.091,79 19.167,80 0.328,81 1.79,82 41.036,83 14.58,84 33.418,85 19.323,86 0.379,87 1.775,88 43.433,89 15.696,90 39.782,91 20.713,92 0.349,93 1.702,94 47.551,95 15.576,96 34.344,97 20.626,98 0.427,99 1.458,100 44.968,101 12.961,102 39.754,103 17.018,104 5,105 45,106 0.256,107 0.53,108 0.73,109 0.866,110 0.9,111 0.9,112 3.471,113 1.267,114 -5.17,115 -5.06,116 -4.74,121 38.1,123 10,127 3,129 1,144 3,145 2,146 2,148 2,160 1,176 9,180 5,183 1,185 5,187 13,192 4,197 3,200 8,206 5,209 1,210 1,211 5,214 11,219 1,224 2,227 10,232 1,235 1,237 4,239 11,244 1,249 4,251 5,256 2,259 1,261 5,264 4,269 2,274 2,277 5,281 1802,282 21.397,283 21.397,284 21.397,285 21.397,286 21.397,287 19.93,288 22.013,289 13.17,290 21.941,291 16.852,292 16.852,293 16.852,294 16.852,295 16.852,296 14.456,297 21.71,298 6.331,299 17.717,300 4.394,301 2.703,302 1.465,303 0.627,304 0.413,305 0.413,306 4.172,308 1,312 1,313 981,314 3.937,317 100.062,318 226.587,322 259.934,325 2.121,326 22.504,329 1,330 0.67,331 0.83,332 1,333 1,334 1,335 1,336 0.93,337 64.833,338 448,339 4.651,340 4.08,341 6.833,342 4.214,343 3.235,344 4.582,345 1.907,346 11.364,347 3.165,348 3.99,349 3.574,350 6.004,351 3.58,352 2.61,353 3.534,354 0.4,355 8.477,356 2.532,357 3.661,358 3.373,359 5.427,360 3.468,361 2.545,362 2.961,363 0.149,364 6.998,365 2.397,366 3.583,367 3.354,368 5.353,369 3.377,370 2.377,371 2.829,373 6.886,374 2.296,375 3.538,376 2.943,377 5.034,378 3.19,379 2.25,380 2.699,382 6.09,383 2.1,384 3.365,385 2.562,386 4.899,387 2.882,388 1.982,389 2.54,391 5.573,392 1.705,393 2.75,394 2.272,395 4.121,396 2.647,397 1.674,398 1.788,400 3.571,401 1.625,402 2.615,403 1.861,404 3.957,405 2.489,406 1.519,407 1.631,409 3.374,410 1.464,411 2.546,412 1.663,413 3.714,414 2.422,415 1.431,416 1.538,418 3.212,419 1.412,420 2.488,421 1.543,422 3.625,423 2.249,424 1.257,425 1.487,427 3.042,428 1.246,429 2.166,430 1.434,431 3.523,432 2.068,433 1.15,434 1.161,436 2.558,437 1.041,438 2.096,439 1.328,440 3.289,441 1.957,442 1.005,443 1.062,445 2.273,446 0.937,447 1.786,448 1.092,449 3.034,450 1.59,451 0.627,452 0.694,454 1.409,455 0.596,456 1.618,457 0.919,458 3,459 1.571,460 0.618,461 0.618,463 1.372,464 0.579,465 1.382,466 0.73,467 2.866,468 1.25,469 0.288,470 0.304,472 0.638,473 0.272,474 15.914,475 0.513,476 0.554,477 0.018,478 31,479 1,480 12,481 0.387,482 19,483 0.613,484 37.096,485 1.197,486 34.486,487 0.547,488 17.329,489 0.559,490 4.157,491 0.134,492 11.046,493 0.356,494 0.066,496 0.251,501 0.689,502 1.159,503 0.626,504 0.848,505 0.525,506 0.959,507 0.669,508 1.204,509 0.862,510 1.036,511 0.504,512 1.066,513 1.049,514 1.063,515 1.008,516 1.011,517 0.96,518 0.954,519 1.133,520 0.948,521 0.845,522 0.868,523 1.148,524 0.953,525 1.118,526 0.994,527 0.831,528 0.898,529 1.156,530 1.009,531 0.853,532 1.058,533 0.832,534 0.978,535 1.04,536 1.086,537 0.93,538 1.031,539 0.843,540 0.926,541 0.985,542 0.986,543 1.336,544 0.883,545 0.978,546 0.847,547 1.342,548 0.878,549 4.5,550 0.119,551 2.667,552 1.722,553 1.516,554 0.601,555 0.518,556 0.261,557 0.231,558 0.2,559 15811,560 38983,561 2.123,562 50.8,563 10,564 10,567 2,568 4,569 2,570 4,572 1.73,573 2.044,574 3.722,575 0.193,582 99.775,583 1.584,584 3.274,585 4.512,586 5.35,587 5.565,588 5.565,589 3.168,590 4.632,591 4.924,592 3.995,593 1857.45,594 8.563,595 28953.1,600 376.569,601 1.14,602 4.91,603 0.132,604 0.005,605 0.059,606 0.039,607 0.037,608 0.016,609 0.015,610 0.009,611 0.009,612 0.008,613 0.329,614 0.17,615 0.88,616 0.415,617 166.296,618 -0.007,619 0.017,620 0.151,621 0.126,622 0.028,623 0.058,624 0.064,625 -0.11,626 -0.015,627 -0.055,628 0.102,629 -0.066,630 -0.073,631 -0.055,632 -0.066,633 -0.041,634 -0.029,635 0.018,636 -0.028,637 0.07,638 -0.046,639 -0.009,640 -0.05,641 -0.02,642 -0.138,643 0.007,644 -0.072,645 -0.028,646 -0.113,647 -0.062,648 0.046,649 -0.106,650 -0.044,651 -0.092,652 -0.029,653 -0.121,654 0.041,655 -0.132,656 0.044,657 -0.047,658 -0.005,659 -0.023,660 0.003,661 0.021,662 0.034,663 0.02,664 -0.017,665 0.059,666 1.477,667 5.109,668 0.613,669 36.352,670 0.99,671 1.122,672 3.942,673 15.536,674 0.683,675 3.555,676 3.829,677 4.078,678 4.344,679 4.554,680 4.644,681 4.762,682 4.875,683 4.927,684 4.812,685 8.595,686 0.617,687 478.18,688 3.555,689 5.069,690 5.9,691 6.758,692 7.612,693 8.484,694 9.352,695 10.232,696 11.109,697 11.997,698 4.8,703 1,705 1,708 1,714 2,715 3,716 1,720 4,722 11,734 1,740 1,741 63,743 12,744 1,745 34,747 66,748 24,749 9,750 3,751 3,756 4,757 7,758 1,767 6,770 11,772 10,773 14,777 1,782 1,786 1,793 32,794 4,795 2,796 7,797 3,802 3,808 0.5,809 1,822 1,828 1,829 3,833 2,843 1,859 2,861 1,862 2,865 1,868 31,876 13,877 2,879 2,880 1,892 1,893 1.6,896 1,901 15.167,902 10.926,903 6.944,904 4.372,907 2.431,908 1.314,909 0.98,910 8.976,911 10.18,912 3.726,913 4.241,914 4.779,915 5.367,916 5.957,917 6.324,918 6.692,919 7.061,920 7.341,921 7.206,922 1,923 44,924 11.571,926 4.87,927 0.026,929 7.477,931 23.214,933 19.772,936 1.977,937 61.278,941 353.133,942 140.87,943 52.807,944 39.149,945 25.145,947 60.363,948 80.507,949 417.427,950 52.807,952 48.467,953 28.429,954 64.646,955 16.917,957 413.497,958 39.149,959 353.133,960 133.314,961 25.145,962 99.512,964 282.506,965 95.772,968 53.368,969 45.149,970 73.945,971 60.363,972 353.133,973 77.952,974 180.019,977 353.133,978 112.441,979 28.429,980 36.022,981 81.079,982 353.133,983 77.952,984 180.019,986 0.564,987 0.321,988 0.178,989 0.095,990 20,991 8,992 0.152,993 10,994 2,995 1.211,996 4.494,997 261.965,998 0.211,999 19,1000 151.58,1001 2,1005 23.381,1006 11.901,1007 6.613,1008 2.117,1009 77.952,1010 5.976,1011 4.882,1015 4.52,1017 36.022,1018 611.104,1019 40.5,1024 12.109,1028 0.19,1031 62.363,1032 70.716,1034 0.265,1035 0.548,1036 0.755,1037 0.895,1038 0.931,1039 0.931,1040 4.954,1041 1.519,1042 5.844,1043 3.571,1044 4.511,1045 4.927,1046 1.997,1047 6.605,1048 4.421,1049 6.101,1050 1.431,1051 7.361,1052 3.374,1053 3.892,1054 4.732,1055 1.593,1056 7.424,1057 3.744,1058 7.382,1059 1.257,1060 8.985,1061 3.212,1062 6.038,1063 7.079,1064 2.907,1065 10.566,1066 5.884,1067 8.705,1068 1.15,1069 10.678,1070 3.042,1071 6.312,1072 7.806,1073 3.032,1074 12.32,1075 6.118,1076 10.07,1077 1.005,1078 12.42,1079 2.558,1080 7.858,1081 9.637,1082 4.038,1083 14.977,1084 7.658,1085 11.464,1086 0.627,1087 14.196,1088 2.273,1089 8.579,1090 10.79,1091 4.409,1092 17.123,1093 8.354,1094 12.883,1095 0.618,1096 15.999,1097 1.409,1098 9.879,1099 12.43,1100 5.25,1101 19.628,1102 9.644,1103 3.235,1104 0.288,1105 17.823,1106 1.372,1107 10.828,1108 13.784,1109 5.75,1110 21.938,1111 10.575,1112 2.61,1113 11.364,1114 19.663,1115 0.638,1116 12.03,1117 15.35,1118 6.501,1119 24.392,1120 11.765,1121 2.545,1122 8.477,1123 21.517,1124 4.582,1125 13.092,1126 16.795,1127 7.068,1128 26.771,1129 12.81,1130 2.377,1131 6.998,1132 23.381,1133 3.534,1134 14.262,1135 18.332,1136 7.771,1137 29.209,1138 13.965,1139 2.25,1140 6.886,1141 25.255,1142 2.961,1143 15.379,1144 19.819,1145 8.374,1146 31.616,1147 15.065,1148 1.982,1149 6.09,1150 27.136,1151 2.829,1152 16.541,1153 21.345,1154 9.051,1155 34.048,1156 16.211,1157 1.674,1158 5.573,1159 29.024,1160 2.699,1161 17.685,1162 22.851,1163 9.674,1164 36.468,1165 17.336,1166 14817,1167 23424,1168 23.345,1169 43.046,1170 48.985,1171 53.544,1172 49.946,1173 49.398,1174 49.185,1175 58.918,1176 4.912,1177 133.806,1178 46.785,1179 5.641,1180 6.08,1181 6.603,1182 5.259,1183 5.235,1184 7.582,1185 3.306,1186 18.902,1187 5.165,1188 10.67,1189 1.441,1190 1.575,1191 1.469,1192 1.453,1193 1.447,1194 1.733,1195 0.144,1196 3.935,1197 1.376,1198 4.115,1199 4.144,1200 4.233,1201 4.046,1202 7.429,1203 4.05,1204 3.827,1205 3.875,1206 4.124,1207 3.795,1208 5.037,1209 3.711,1210 3.737,1211 3.78,1212 3.779,1213 3.661,1214 4.685,1215 3.646,1216 3.701,1217 3.759,1218 3.65,1219 3.563,1220 4.283,1221 3.542,1222 3.565,1223 3.625,1224 3.462,1225 3.437,1226 4.216,1227 3.409,1228 3.349,1229 3.417,1230 3.379,1231 3.196,1232 4.157,1233 3.186,1234 3.233,1235 3.284,1236 3.237,1237 3.096,1238 4.062,1239 3.078,1240 3.135,1241 3.213,1242 3.009,1243 2.968,1244 3.938,1245 2.963,1246 0.137,1247 0.12,1248 0.201,1249 0.124,1250 0.095,1251 4.651,1252 0.135,1253 4.08,1254 0.056,1255 6.833,1256 0.334,1257 4.214,1258 0.093,1259 3.235,1260 4.582,1261 1.907,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.148,1267 2.158,1268 1.435,1269 2.158,1270 1.776,1271 1.723,1272 2,1273 1.948,1274 1.38,1275 1.967,1276 1.75,1277 1.709,1278 1.93,1279 1.865,1280 1.217,1281 1.894,1282 1.654,1283 1.587,1284 1.892,1285 1.847,1286 1.141,1287 1.872,1288 1.521,1289 1.461,1290 1.769,1291 1.701,1292 1.122,1293 1.731,1294 1.314,1295 1.261,1296 1.546,1297 1.534,1298 0.845,1299 1.553,1300 1.24,1301 1.198,1302 1.469,1303 1.397,1304 0.757,1305 1.435,1306 1.135,1307 1.061,1308 1.421,1309 1.346,1310 0.637,1311 1.378,1312 4.234,1314 5.517,1315 2.398,1316 6.993,1317 4.443,1318 8.575,1319 6.26,1320 10.225,1323 6.205,1328 13.71,1329 6.74,1331 4.018,1332 0.81,1340 38.883,1341 99.775,1342 206.271,1343 284.246,1344 337.059,1345 350.569,1346 350.569,1347 55.691,1348 7.75,1349 54.02,1350 104.62,1351 23,1352 12.53,1353 3.7,1354 2.907,1355 49.936,1356 160,1357 162,1358 0.146,1359 248.823,1360 430.7,1361 598.887,1362 29829,1363 1.6,1364 21.468,1365 0.693,1366 0.659,1367 22.675,1368 20.441,1369 15.204,1370 0.447,1371 0.422,1372 11.72,1373 13.708,1374 11.305,1375 9.286,1376 16.571,1377 14.364,1378 13.128,1379 0.292,1380 0.26,1381 14.805,1382 11.71,1383 10.745,1384 0.185,1385 0.161,1386 12.391,1387 9.352,1388 9.003,1389 0.118,1390 0.1,1391 10.645,1392 7.635,1393 7.056,1394 0.075,1395 0.049,1396 7.9,1397 4.613,1398 0.241,1399 105.832,1400 0.207,1401 30.149,1402 0.371,1403 158,1404 377.971,1405 222.453,1406 440.165,1407 592.52,1408 414,1409 182,1410 376.271,1411 239.353,1412 419.371,1413 609.67,1414 399,1415 9.638}
{0 CHEMBL1912060,1 1.536,2 14.452,3 5.864,4 34.389,5 131.603,6 7.477,7 0.471,8 4.178,9 4.302,10 3.788,11 3.804,12 5.135,13 3.726,14 4.754,15 4.936,16 4.137,17 4.218,18 5.664,19 4.097,20 5.053,21 5.301,22 4.11,23 4.304,24 5.887,25 4.156,26 5.017,27 5.261,28 4.066,29 4.253,30 5.896,31 4.112,32 5.002,33 5.244,34 3.991,35 4.255,36 5.83,37 4.1,38 5.031,39 5.28,40 3.969,41 4.252,42 5.854,43 4.067,44 5.035,45 5.316,46 3.929,47 4.162,48 5.805,49 3.961,50 4.902,51 5.19,52 3.765,53 3.976,54 5.748,55 3.787,56 0.05,57 0.86,58 13.62,59 6.107,60 6.025,61 8.18,62 0.175,63 1.45,64 27.351,65 11.078,66 19.073,67 14.829,68 0.32,69 1.815,70 42.97,71 14.624,72 36.281,73 19.53,74 0.429,75 1.768,76 39.107,77 13.171,78 43.427,79 17.991,80 0.31,81 1.723,82 37.105,83 13.42,84 35.187,85 18.266,86 0.361,87 1.71,88 39.463,89 14.534,90 41.396,91 19.732,92 0.311,93 1.645,94 43.496,95 14.596,96 36.128,97 20.087,98 0.361,99 1.413,100 41.461,101 12.482,102 42.41,103 16.771,104 5,105 45,106 0.248,107 0.559,108 0.723,109 0.847,110 0.9,111 0.9,112 3.471,113 1.112,114 -5.22,115 -5.11,116 -4.78,121 41,123 9,127 2,144 5,145 2,146 2,148 2,153 1,154 1,160 1,176 10,180 5,183 1,185 5,187 16,192 4,197 3,200 10,206 5,209 1,210 1,211 5,214 13,219 1,224 2,227 12,232 1,235 1,237 4,239 12,244 2,249 5,251 5,256 3,259 1,261 6,264 4,269 2,274 2,277 6,281 1802,282 21.397,283 21.397,284 21.397,285 21.397,286 21.397,287 19.308,288 23.493,289 13.17,290 21.894,291 16.852,292 16.852,293 16.852,294 16.852,295 16.852,296 13.579,297 22.503,298 6.331,299 17.688,300 4.394,301 2.473,302 1.456,303 0.689,304 0.361,305 0.361,306 4.172,308 1,312 1,313 981,314 3.937,317 100.062,318 226.587,322 259.934,325 2.121,326 22.361,329 1,330 0.67,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.83,337 64.833,338 448,339 4.651,340 3.574,341 6.833,342 4.214,343 3.235,344 4.582,345 1.907,346 11.364,347 3.165,348 3.99,349 3.373,350 6.004,351 3.58,352 2.61,353 3.534,354 0.4,355 8.477,356 2.532,357 3.92,358 2.943,359 5.427,360 3.463,361 2.545,362 3.479,363 0.149,364 6.998,365 2.397,366 3.658,367 2.734,368 5.353,369 3.377,370 2.377,371 2.961,373 6.886,374 2.29,375 3.583,376 2.562,377 5.034,378 3.19,379 2.25,380 2.828,382 6.09,383 2.1,384 3.365,385 2.272,386 4.899,387 2.882,388 1.982,389 2.699,391 5.573,392 1.705,393 2.769,394 1.861,395 4.121,396 2.648,397 1.674,398 1.818,400 3.571,401 1.627,402 2.732,403 1.655,404 3.957,405 2.5,406 1.519,407 1.779,409 3.374,410 1.482,411 2.597,412 1.543,413 3.714,414 2.423,415 1.431,416 1.611,418 3.212,419 1.413,420 2.488,421 1.434,422 3.625,423 2.249,424 1.257,425 1.488,427 3.042,428 1.246,429 2.371,430 1.328,431 3.523,432 2.107,433 1.15,434 1.344,436 2.558,437 1.09,438 2.122,439 1.301,440 3.289,441 1.975,442 1.005,443 1.09,445 2.273,446 0.965,447 2.118,448 0.922,449 3.034,450 1.586,451 0.627,452 0.927,454 1.409,455 0.593,456 1.79,457 0.67,458 3,459 1.464,460 0.618,461 0.7,463 1.372,464 0.507,465 1.463,466 0.618,467 2.866,468 1.269,469 0.288,470 0.322,472 0.638,473 0.279,474 15.581,475 0.503,476 0.554,477 0.018,478 35,479 1.129,480 16,481 0.516,482 19,483 0.613,484 32.242,485 1.04,486 33.619,487 0.551,488 22.184,489 0.716,490 6.007,491 0.194,492 9.197,493 0.297,494 0.067,496 0.257,501 0.702,502 1.166,503 0.715,504 0.922,505 0.538,506 0.945,507 0.667,508 1.195,509 0.821,510 1.022,511 0.526,512 1.043,513 1.076,514 1.048,515 0.956,516 0.959,517 1.001,518 0.932,519 1.162,520 0.967,521 0.887,522 0.905,523 1.177,524 0.974,525 1.14,526 1.01,527 0.864,528 0.933,529 1.177,530 1.027,531 0.863,532 1.077,533 0.869,534 1.029,535 1.039,536 1.109,537 0.835,538 1.051,539 0.861,540 0.971,541 0.823,542 0.998,543 1.291,544 0.885,545 1.097,546 0.891,547 1.138,548 0.888,549 4.5,550 0.119,551 2.667,552 1.722,553 1.516,554 0.601,555 0.518,556 0.261,557 0.231,558 0.2,559 15811,560 38742,561 2.123,562 49.2,563 10,564 9,565 1,567 2,568 6,570 2,572 1.73,573 2.044,574 3.722,575 0.161,582 93.717,583 1.536,584 3.458,585 4.475,586 5.242,587 5.57,588 5.57,589 3.168,590 4.632,591 4.924,592 3.995,593 1857.45,594 8.563,595 28953.1,600 361.775,601 1.14,602 4.91,603 0.132,604 0.005,605 0.059,606 0.039,607 0.037,608 0.016,609 0.015,610 0.009,611 0.009,612 0.008,613 0.329,614 0.17,615 1,616 0.415,617 166.296,618 -0.026,619 -0.002,620 0.044,621 0.055,622 0.017,623 0.047,624 0.072,625 -0.103,626 0.01,627 -0.042,628 0.092,629 -0.057,630 -0.072,631 -0.037,632 -0.027,633 -0.002,634 -0.048,635 0.034,636 -0.035,637 0.069,638 -0.053,639 -0.015,640 -0.077,641 -0.038,642 -0.146,643 0.005,644 -0.08,645 -0.032,646 -0.136,647 -0.076,648 0.046,649 -0.116,650 -0.047,651 -0.106,652 -0.026,653 -0.136,654 0.072,655 -0.148,656 0.073,657 -0.054,658 0.042,659 -0.017,660 -0.018,661 0.029,662 0.009,663 0.029,664 0.042,665 0.073,666 1.507,667 5.086,668 0.613,669 36.352,670 0.99,671 1.121,672 3.989,673 15.909,674 0.683,675 3.555,676 3.829,677 4.078,678 4.344,679 4.554,680 4.644,681 4.762,682 4.875,683 4.927,684 4.812,685 8.595,686 0.626,687 456.1,688 3.555,689 5.069,690 5.9,691 6.758,692 7.612,693 8.484,694 9.352,695 10.232,696 11.109,697 11.997,698 4.9,703 1,705 1,708 1,714 2,715 6,716 1,719 1,720 5,722 16,734 1,740 1,741 61,743 17,744 1,745 34,747 64,748 25,749 13,750 3,751 3,756 4,757 7,758 1,767 4,770 9,772 14,773 11,777 1,782 1,786 1,793 30,794 4,795 2,796 6,797 2,802 3,808 0.5,809 1,822 1,828 1,829 3,833 2,843 1,859 2,862 1,865 1,868 31,876 11,877 2,888 1,892 1,893 1.6,896 1,901 15.167,902 10.676,903 6.944,904 4.15,907 2.895,908 1.374,909 0.996,910 8.206,911 10.644,912 3.784,913 4.341,914 4.901,915 5.492,916 5.999,917 6.353,918 6.714,919 7.08,920 7.358,921 7.23,922 1,923 44,924 11.531,926 4.835,927 0.026,929 7.525,931 22.873,933 19.178,936 2.025,937 62.778,941 329.591,942 136.31,943 52.807,944 39.149,945 25.145,947 31.278,948 105.032,949 393.884,950 52.807,952 45.033,953 55.03,954 64.646,955 16.917,956 13.13,957 349.097,958 39.149,959 329.591,960 157.839,961 25.145,962 70.426,964 306.049,965 48.687,968 49.934,969 73.109,970 73.945,971 31.278,972 329.591,973 77.952,974 175.459,977 329.591,978 81.28,979 55.03,980 36.022,981 81.079,982 329.591,983 77.952,984 175.459,986 0.564,987 0.321,988 0.178,989 0.095,990 20,991 8,992 0.156,993 10,994 2,995 1.211,996 4.494,997 261.965,998 0.211,999 19,1000 153.58,1001 1,1005 22.541,1006 11.285,1007 6.199,1008 2.103,1009 77.952,1010 12.311,1011 4.876,1014 1.791,1015 5.894,1017 36.022,1018 583.001,1019 43,1024 12.086,1028 0.16,1031 60.403,1032 68.381,1034 0.259,1035 0.583,1036 0.754,1037 0.884,1038 0.939,1039 0.939,1040 4.997,1041 1.519,1042 5.844,1043 3.571,1044 4.511,1045 5.027,1046 1.997,1047 6.605,1048 4.424,1049 6.165,1050 1.431,1051 7.361,1052 3.374,1053 3.892,1054 4.796,1055 1.593,1056 7.424,1057 3.744,1058 7.452,1059 1.257,1060 8.985,1061 3.212,1062 6.038,1063 7.215,1064 2.907,1065 10.566,1066 5.886,1067 8.781,1068 1.15,1069 10.678,1070 3.042,1071 6.312,1072 7.902,1073 3.032,1074 12.32,1075 6.115,1076 10.149,1077 1.005,1078 12.42,1079 2.558,1080 7.858,1081 9.758,1082 4.038,1083 14.977,1084 7.659,1085 11.545,1086 0.627,1087 14.196,1088 2.273,1089 8.579,1090 10.876,1091 4.409,1092 17.123,1093 8.352,1094 12.964,1095 0.618,1096 15.999,1097 1.409,1098 9.879,1099 12.518,1100 5.25,1101 19.628,1102 9.644,1103 3.235,1104 0.288,1105 17.823,1106 1.372,1107 10.828,1108 13.847,1109 5.75,1110 21.938,1111 10.573,1112 2.61,1113 11.364,1114 19.663,1115 0.638,1116 12.03,1117 15.406,1118 6.501,1119 24.392,1120 11.764,1121 2.545,1122 8.477,1123 21.517,1124 4.582,1125 13.092,1126 16.836,1127 7.068,1128 26.771,1129 12.809,1130 2.377,1131 6.998,1132 23.381,1133 3.534,1134 14.262,1135 18.367,1136 7.771,1137 29.209,1138 13.965,1139 2.25,1140 6.886,1141 25.255,1142 3.479,1143 15.379,1144 19.844,1145 8.374,1146 31.616,1147 15.064,1148 1.982,1149 6.09,1150 27.136,1151 2.961,1152 16.541,1153 21.366,1154 9.051,1155 34.048,1156 16.21,1157 1.674,1158 5.573,1159 29.024,1160 2.828,1161 17.685,1162 22.866,1163 9.674,1164 36.468,1165 17.336,1166 14817,1167 23344,1168 23.345,1169 41.637,1170 49.409,1171 50.554,1172 49.946,1173 49.344,1174 49.185,1175 62.387,1176 4.912,1177 133.806,1178 46.831,1179 5.617,1180 5.574,1181 6.603,1182 5.266,1183 5.235,1184 7.582,1185 3.306,1186 18.902,1187 5.165,1188 10.67,1189 1.453,1190 1.487,1191 1.469,1192 1.451,1193 1.447,1194 1.835,1195 0.144,1196 3.935,1197 1.377,1198 4.116,1199 4.144,1200 4.219,1201 4.047,1202 7.429,1203 4.05,1204 3.896,1205 3.919,1206 4.124,1207 3.926,1208 5.037,1209 3.843,1210 3.743,1211 3.792,1212 3.778,1213 3.662,1214 4.686,1215 3.647,1216 3.733,1217 3.78,1218 3.645,1219 3.578,1220 4.669,1221 3.574,1222 3.586,1223 3.652,1224 3.455,1225 3.442,1226 4.277,1227 3.425,1228 3.356,1229 3.424,1230 3.369,1231 3.194,1232 4.162,1233 3.189,1234 3.234,1235 3.284,1236 3.191,1237 3.086,1238 4.081,1239 3.083,1240 3.134,1241 3.212,1242 2.998,1243 2.967,1244 3.983,1245 2.963,1246 0.137,1247 0.105,1248 0.201,1249 0.124,1250 0.095,1251 4.651,1252 0.135,1253 3.574,1254 0.056,1255 6.833,1256 0.334,1257 4.214,1258 0.093,1259 3.235,1260 4.582,1261 1.907,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.148,1267 2.158,1268 1.435,1269 2.158,1270 1.768,1271 1.72,1272 1.983,1273 1.942,1274 1.321,1275 1.957,1276 1.75,1277 1.709,1278 1.929,1279 1.864,1280 1.213,1281 1.893,1282 1.647,1283 1.582,1284 1.886,1285 1.833,1286 1.132,1287 1.86,1288 1.492,1289 1.445,1290 1.69,1291 1.651,1292 0.92,1293 1.664,1294 1.394,1295 1.375,1296 1.547,1297 1.529,1298 0.757,1299 1.557,1300 1.27,1301 1.223,1302 1.471,1303 1.419,1304 0.661,1305 1.458,1306 1.139,1307 1.071,1308 1.423,1309 1.346,1310 0.634,1311 1.378,1312 4.234,1314 5.517,1315 2.398,1316 6.993,1317 4.443,1318 8.575,1319 6.26,1320 10.225,1323 6.201,1328 10.649,1329 6.707,1340 38.169,1341 93.717,1342 210.938,1343 272.946,1344 319.775,1345 339.775,1346 339.775,1347 53.513,1348 7.75,1349 54.02,1350 82.26,1351 23,1352 12.53,1353 4.17,1354 3.322,1355 49.936,1356 160,1357 162,1358 0.146,1359 241.429,1360 413.31,1361 580.847,1362 29829,1363 1.6,1364 21.468,1365 0.693,1366 0.628,1367 22.322,1368 19.456,1369 15.204,1370 0.447,1371 0.371,1372 11.383,1373 14.118,1374 11.048,1375 9.114,1376 15.946,1377 12.602,1378 13.128,1379 0.292,1380 0.215,1381 14.146,1382 9.666,1383 10.745,1384 0.185,1385 0.121,1386 11.643,1387 7.031,1388 9.003,1389 0.118,1390 0.068,1391 9.815,1392 5.176,1393 7.056,1394 0.075,1395 0.038,1396 7.543,1397 3.547,1398 0.241,1399 100.832,1400 0.207,1401 30.149,1402 0.371,1403 158,1404 385.11,1405 203.511,1406 429.857,1407 581.85,1408 404,1409 182,1410 388.096,1411 215.951,1412 417.718,1413 609.14,1414 397,1415 8.575}
{0 CHEMBL1912062,1 1.43,2 16.067,3 5.447,4 29.664,5 133.561,6 6.469,7 0.194,8 4.275,9 4.412,10 3.843,11 3.841,12 5.139,13 3.718,14 4.878,15 5.095,16 4.022,17 4.211,18 5.648,19 4.042,20 5.146,21 5.415,22 3.937,23 4.31,24 5.845,25 4.104,26 5.17,27 5.443,28 3.891,29 4.292,30 5.883,31 4.088,32 5.203,33 5.492,34 3.864,35 4.302,36 5.883,37 4.084,38 5.197,39 5.487,40 3.816,41 4.272,42 5.885,43 4.052,44 5.14,45 5.429,46 3.796,47 4.204,48 5.849,49 3.981,50 5.081,51 5.387,52 3.698,53 4.094,54 5.772,55 3.862,56 0.085,57 0.981,58 21.78,59 8.226,60 9.831,61 10.413,62 0.297,63 1.575,64 36.055,65 13.021,66 24.329,67 17.289,68 0.345,69 1.87,70 47.669,71 16.377,72 31.354,73 21.649,74 0.424,75 1.85,76 45.134,77 15.81,78 36.62,79 21.631,80 0.351,81 1.894,82 46.268,83 16.361,84 34.698,85 22.473,86 0.398,87 1.845,88 46.293,89 16.034,90 37.863,91 21.901,92 0.417,93 1.73,94 44.01,95 15.101,96 37.079,97 20.767,98 0.352,99 1.59,100 40.928,101 13.819,102 35.197,103 19.255,104 14,105 37,106 0.23,107 0.465,108 0.728,109 0.858,110 0.889,111 0.898,112 3.438,113 1.355,114 -4.86,115 -4.77,116 -4.48,121 34.3,122 1,123 9,126 1,127 5,129 1,144 4,145 1,146 1,160 1,176 10,180 6,183 1,185 2,187 9,192 5,197 2,200 5,205 1,206 6,211 2,214 5,219 4,224 2,227 7,232 3,239 10,244 3,247 1,249 1,251 11,256 1,264 7,268 1,269 2,274 2,277 6,281 1734,282 20.742,283 20.742,284 20.742,285 20.742,286 20.742,287 19.836,288 21.684,289 13.147,290 21.353,291 15.225,292 15.225,293 15.225,294 15.225,295 15.225,296 13.802,297 22.317,298 6.148,299 16.002,300 4.699,301 3.233,302 1.597,303 0.786,304 0.593,305 0.536,306 4.111,312 1,313 994,314 4.637,317 113.639,318 130.111,325 2.6,326 17.707,329 1,330 0.67,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.83,337 63,338 482,339 4.206,340 4.08,341 6.159,342 3.84,343 2.875,344 3.805,345 1.907,346 9.118,347 2.773,348 3.661,349 3.574,350 5.353,351 3.468,352 2.545,353 2.829,354 0.916,355 6.998,356 2.398,357 3.538,358 3.354,359 5.284,360 3.378,361 2.383,362 2.54,363 0.86,364 6.713,365 2.296,366 3.43,367 3.188,368 5.034,369 3.303,370 2.373,371 2.467,372 0.172,373 6.09,374 2.197,375 2.917,376 2.729,377 4.316,378 2.786,379 1.794,380 2.088,381 0.149,382 4.043,383 1.777,384 2.862,385 1.965,386 3.832,387 2.529,388 1.564,389 1.959,391 3.606,392 1.503,393 2.769,394 1.864,395 3.673,396 2.485,397 1.532,398 1.782,400 3.212,401 1.449,402 2.571,403 1.663,404 3.62,405 2.428,406 1.433,407 1.566,409 3.024,410 1.424,411 2.303,412 1.533,413 3.423,414 2.24,415 1.27,416 1.293,418 2.649,419 1.228,420 2.126,421 1.452,422 3.236,423 2.009,424 1.087,425 1.108,427 2.296,428 0.978,429 1.743,430 1.093,431 3,432 1.638,433 0.668,434 0.678,436 1.372,437 0.645,438 1.696,439 0.941,440 2.925,441 1.578,442 0.618,443 0.638,445 1.354,446 0.584,447 1.618,448 0.914,449 2.839,450 1.472,451 0.554,452 0.618,454 0.94,455 0.502,456 1.384,457 0.726,458 2.601,459 1.294,460 0.347,461 0.355,463 0.633,464 0.326,465 1.353,466 0.538,467 2.568,468 1.2,469 0.238,470 0.251,472 0.408,473 0.226,474 15.133,475 0.504,476 0.362,477 0.012,478 25.5,479 0.85,480 8,481 0.267,482 17.5,483 0.583,484 37.288,485 1.243,486 35.867,487 0.512,488 13.532,489 0.451,490 3.477,491 0.116,492 11.247,493 0.375,494 0.088,496 0.159,501 0.794,502 1.371,503 0.792,504 1.073,505 0.592,506 1.179,507 1.063,508 1.153,509 1.064,510 1.073,511 0.636,512 1.122,513 1.046,514 1.078,515 1.122,516 1.095,517 0.971,518 1.045,519 1.145,520 1.014,521 0.917,522 0.934,523 1.169,524 1.027,525 0.948,526 0.991,527 0.859,528 0.91,529 1.077,530 0.988,531 1.182,532 0.916,533 0.889,534 0.872,535 1.174,536 0.964,537 1.072,538 0.962,539 0.821,540 0.909,541 1.187,542 1.006,543 0.939,544 0.965,545 0.707,546 0.843,547 1.302,548 0.925,549 4,550 0.074,551 2,552 1.097,553 0.907,554 0.427,555 0.38,556 0.218,557 0.12,558 0.11,559 14992,560 33254,561 1.997,562 57.1,563 8,564 18,567 1,568 2,569 9,570 2,572 1.718,573 1.915,574 3.935,575 -0.382,582 100.134,583 1.43,584 2.897,585 4.533,586 5.343,587 5.536,588 5.593,589 3.353,590 4.374,591 4.881,592 4.192,593 1823.4,594 8.453,595 30153.3,600 429.05,601 1.091,602 4.861,603 0.129,604 0.004,605 0.054,606 0.031,607 0.027,608 0.013,609 0.013,610 0.008,611 0.005,612 0.005,613 0.29,614 0.17,615 0.88,616 0.756,617 163.603,618 0.04,619 -0.092,620 0.195,621 0.064,622 0.039,623 0.002,624 -0.017,625 -0.013,626 -0.045,627 -0.024,628 0.055,629 -0.065,630 -0.065,631 -0.05,632 -0.102,633 -0.085,634 -0.018,635 -0.047,636 -0.041,637 -0.038,638 -0.068,639 -0.043,640 -0.064,641 -0.061,642 -0.043,643 -0.035,644 -0.03,645 -0.031,646 -0.053,647 -0.029,648 -0.101,649 0.028,650 -0.048,651 -0.001,652 -0.085,653 -0.019,654 -0.005,655 -0.034,656 -0.006,657 -0.046,658 -0.049,659 -0.057,660 0.038,661 -0.073,662 0.076,663 -0.011,664 -0.034,665 0.004,666 1.433,667 4.945,668 0.367,669 38.733,670 0.983,671 1.131,672 3.634,673 13.208,674 0.638,675 3.466,676 3.638,677 3.784,678 3.892,679 3.892,680 3.807,681 3.761,682 3.689,683 3.638,684 3.611,685 9.748,686 0.569,687 452.8,688 3.466,689 4.92,690 5.694,691 6.488,692 7.276,693 8.076,694 8.87,695 9.673,696 10.471,697 11.276,698 2.9,701 1,705 1,715 4,720 2,722 6,739 1,741 70,743 7,744 1,745 31,747 71,748 24,749 6,750 2,751 4,756 2,757 2,763 1,767 2,770 10,772 7,773 17,777 1,782 1,786 1,793 40,794 4,795 1,796 6,797 2,802 2,808 1,809 2,828 1,829 1,843 1,855 1,859 2,861 1,862 2,864 2,868 30,876 14,877 1,878 1,879 2,880 1,881 1,893 2.9,896 1,898 1,901 15.667,902 12.533,903 7.194,904 4.8,907 1.011,908 1.152,909 0.915,910 13.866,911 7.674,912 3.584,913 3.902,914 4.216,915 4.531,916 4.827,917 4.674,918 4.698,919 4.683,920 4.649,921 4.584,922 1,923 35,924 11.194,926 4.395,927 0.026,929 7.433,931 22.593,933 18.063,936 1.933,937 58,941 459.073,942 163.244,943 21.135,945 36.145,947 60.363,948 102.88,949 495.218,950 21.135,951 19.708,952 50.144,953 37.905,954 29.85,955 22.553,957 519.436,959 459.073,960 124.015,961 36.145,962 60.363,964 329.591,965 165.627,968 62.094,969 61.922,971 60.363,972 459.073,973 57.28,974 163.244,977 459.073,978 105.63,979 60.738,980 18.011,981 36.145,982 459.073,983 57.28,984 163.244,986 0.539,987 0.306,988 0.158,989 0.074,990 11,991 5,992 0.225,993 16,995 1,996 4.502,997 215.759,999 11,1000 147.207,1001 2,1005 25.739,1006 16.161,1007 11.081,1009 57.28,1010 8.28,1015 2.23,1017 18.011,1018 679.597,1019 35,1024 11.945,1028 0.234,1031 68.799,1032 79.144,1034 0.233,1035 0.473,1036 0.739,1037 0.872,1038 0.903,1039 0.913,1040 4.758,1041 1.433,1042 5.58,1043 3.212,1044 4.317,1045 4.585,1046 2.306,1047 6.209,1048 4.227,1049 5.815,1050 1.27,1051 7.02,1052 3.024,1053 3.434,1054 3.951,1055 1.668,1056 6.763,1057 3.29,1058 7.017,1059 1.087,1060 8.561,1061 2.649,1062 5.727,1063 6.401,1064 3.01,1065 9.805,1066 5.55,1067 8.253,1068 0.668,1069 10.168,1070 2.296,1071 5.771,1072 6.712,1073 3.055,1074 11.298,1075 5.521,1076 9.53,1077 0.618,1078 11.82,1079 1.372,1080 7.385,1081 8.589,1082 4.064,1083 13.782,1084 7.123,1085 10.833,1086 0.554,1087 13.505,1088 1.354,1089 7.892,1090 9.361,1091 4.415,1092 15.665,1093 7.555,1094 12.157,1095 0.347,1096 15.213,1097 0.94,1098 9.195,1099 11.002,1100 5.256,1101 17.964,1102 8.851,1103 2.875,1104 0.238,1105 16.939,1106 0.633,1107 9.947,1108 12.015,1109 5.751,1110 20.02,1111 9.535,1112 2.545,1113 9.118,1114 18.679,1115 0.408,1116 11.103,1117 13.537,1118 6.503,1119 22.256,1120 10.68,1121 2.383,1122 6.998,1123 20.431,1124 3.805,1125 11.986,1126 14.682,1127 7.069,1128 24.392,1129 11.506,1130 2.373,1131 6.713,1132 22.191,1133 2.829,1134 13.073,1135 16.135,1136 7.771,1137 26.607,1138 12.575,1139 1.794,1140 6.09,1141 23.959,1142 2.54,1143 14.026,1144 17.356,1145 8.375,1146 28.78,1147 13.481,1148 1.564,1149 4.043,1150 25.733,1151 2.467,1152 15.083,1153 18.766,1154 9.051,1155 30.989,1156 14.515,1157 1.532,1158 3.606,1159 27.514,1160 2.088,1161 16.076,1162 20.032,1163 9.674,1164 33.181,1165 15.467,1166 14778,1167 22153,1168 20.742,1169 44.682,1170 42.482,1171 46.276,1172 44.111,1173 42.559,1174 42.564,1175 47.953,1176 8.01,1177 104.912,1178 40.61,1179 5.2,1180 6.08,1181 6.025,1182 4.88,1183 4.875,1184 6.805,1185 3.306,1186 15.307,1187 4.773,1188 13.092,1189 1.37,1190 1.493,1191 1.423,1192 1.373,1193 1.373,1194 1.547,1195 0.258,1196 3.384,1197 1.31,1198 3.953,1199 3.991,1200 4.232,1201 3.868,1202 7.429,1203 3.865,1204 3.833,1205 3.881,1206 3.88,1207 3.793,1208 4.861,1209 3.714,1210 3.758,1211 3.815,1212 3.674,1213 3.642,1214 4.393,1215 3.621,1216 3.663,1217 3.721,1218 3.573,1219 3.527,1220 4.293,1221 3.502,1222 3.564,1223 3.63,1224 3.429,1225 3.41,1226 4.221,1227 3.395,1228 3.396,1229 3.478,1230 3.281,1231 3.223,1232 4.171,1233 3.203,1234 3.249,1235 3.317,1236 3.08,1237 3.077,1238 3.97,1239 3.05,1240 3.243,1241 3.314,1242 3.063,1243 2.987,1244 3.883,1245 2.986,1246 0.136,1247 0.132,1248 0.199,1249 0.124,1250 0.093,1251 4.206,1252 0.123,1253 4.08,1254 0.062,1255 6.159,1256 0.294,1257 3.84,1258 0.089,1259 2.875,1260 3.805,1261 1.907,1262 9.118,1263 2.773,1264 1.913,1265 1.887,1266 2.052,1267 2.032,1268 1.386,1269 2.04,1270 1.79,1271 1.733,1272 2.009,1273 1.962,1274 1.374,1275 1.98,1276 1.753,1277 1.694,1278 1.985,1279 1.907,1280 1.214,1281 1.938,1282 1.609,1283 1.54,1284 1.861,1285 1.818,1286 1.137,1287 1.838,1288 1.533,1289 1.469,1290 1.783,1291 1.721,1292 1.067,1293 1.749,1294 1.398,1295 1.319,1296 1.712,1297 1.608,1298 0.955,1299 1.652,1300 1.266,1301 1.214,1302 1.573,1303 1.513,1304 0.842,1305 1.533,1306 1.198,1307 1.126,1308 1.535,1309 1.471,1310 0.685,1311 1.51,1312 4.143,1314 5.352,1315 2.398,1316 6.73,1317 4.443,1318 8.19,1319 6.26,1320 9.697,1322 3.958,1328 15.447,1329 3.095,1330 5.471,1331 4.036,1332 0.83,1333 2.475,1340 39.856,1341 100.134,1342 202.77,1343 317.275,1344 374.03,1345 387.54,1346 391.54,1347 72.467,1348 6.663,1349 41.57,1350 92.17,1351 11,1352 11.871,1353 3,1354 2.322,1355 70.115,1356 180,1357 150,1358 0.181,1359 258.333,1360 454.18,1361 622.093,1362 7998,1364 21.443,1365 0.715,1366 0.683,1367 22.15,1368 20.499,1369 14.724,1370 0.475,1371 0.452,1372 11.666,1373 13.402,1374 11.181,1375 9.345,1376 15.803,1377 14,1378 11.608,1379 0.314,1380 0.292,1381 12.876,1382 10.807,1383 9.148,1384 0.213,1385 0.202,1386 10.532,1387 8.671,1388 6.874,1389 0.143,1390 0.142,1391 8.282,1392 6.803,1393 4.668,1394 0.097,1395 0.077,1396 5.28,1397 3.707,1398 0.307,1399 100.644,1400 0.22,1401 30.124,1402 0.438,1403 136,1404 331.17,1405 186.119,1406 355.741,1407 472.9,1408 336,1409 148,1410 293.559,1411 196.752,1412 327.106,1413 462.65,1414 307,1415 6.592}
{0 CHEMBL1912063,1 1.485,2 14.185,3 3.983,4 15.863,5 119.385,6 6.733,7 0.214,8 4.147,9 4.279,10 3.765,11 3.721,12 5.05,13 3.6,14 4.74,15 4.952,16 3.963,17 4.091,18 5.551,19 3.935,20 4.991,21 5.239,22 3.873,23 4.205,24 5.757,25 4.012,26 5.047,27 5.312,28 3.809,29 4.203,30 5.81,31 4,32 5.104,33 5.395,34 3.759,35 4.18,36 5.82,37 3.957,38 5.021,39 5.309,40 3.678,41 4.079,42 5.763,43 3.859,44 4.924,45 5.217,46 3.684,47 3.953,48 5.688,49 3.755,50 4.805,51 5.083,52 3.616,53 3.839,54 5.672,55 3.657,56 0.069,57 0.865,58 19.133,59 7.19,60 9.321,61 8.898,62 0.279,63 1.39,64 31.861,65 11.324,66 23.253,67 14.777,68 0.323,69 1.661,70 42.364,71 14.379,72 31.243,73 18.657,74 0.339,75 1.689,76 40.564,77 14.446,78 36.196,79 19.522,80 0.387,81 1.699,82 43.177,83 15.103,84 39.002,85 20.377,86 0.404,87 1.563,88 40.34,89 13.48,90 40.575,91 18.2,92 0.375,93 1.405,94 37.191,95 11.501,96 35.068,97 15.91,98 0.356,99 1.238,100 32.77,101 10.085,102 40.905,103 13.889,104 18,105 35,106 0.246,107 0.513,108 0.798,109 0.894,110 0.894,111 0.894,112 3.338,113 1.326,114 -4.22,115 -4.16,116 -3.93,121 34.4,122 1,123 6,126 2,127 3,129 2,144 4,145 1,146 1,160 1,176 7,180 6,183 1,185 2,187 8,192 5,197 1,200 6,206 4,209 1,211 1,214 5,218 1,219 3,224 1,227 5,231 1,232 1,237 2,239 2,244 3,249 3,251 2,256 3,261 1,264 2,269 3,272 1,274 1,277 5,281 1257,282 18.25,283 18.25,284 18.25,285 18.25,286 18.25,287 17.397,288 22.55,289 11.27,290 18.84,291 13.745,292 13.745,293 13.745,294 13.745,295 13.745,296 12.349,297 28.394,298 5.29,299 14.512,300 4.446,301 2.828,302 1.106,303 0.529,304 0.529,305 0.529,306 4.004,311 1,312 1,313 791,314 4.416,317 99.681,318 112.788,325 2.266,326 17.195,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 57,338 383,339 4.191,340 4.08,341 6.345,342 3.925,343 2.958,344 3.731,345 1.907,346 9.469,347 2.862,348 3.682,349 3.574,350 5.401,351 3.468,352 2.545,353 2.875,354 0.916,355 6.998,356 2.399,357 3.656,358 3.354,359 5.353,360 3.401,361 2.458,362 2.828,363 0.86,364 6.976,365 2.301,366 3.538,367 3.288,368 5.035,369 3.367,370 2.371,371 2.54,372 0.172,373 6.091,374 2.287,375 3.13,376 2.8,377 4.892,378 2.876,379 1.925,380 2.237,381 0.149,382 5.345,383 1.823,384 2.695,385 2.241,386 3.78,387 2.549,388 1.582,389 1.768,391 3.305,392 1.521,393 2.588,394 1.7,395 3.665,396 2.377,397 1.403,398 1.588,400 3.015,401 1.359,402 2.441,403 1.656,404 3.493,405 2.192,406 1.216,407 1.423,409 2.639,410 1.183,411 2.132,412 1.385,413 3.362,414 2.009,415 1.088,416 1.117,418 2.347,419 0.978,420 1.841,421 1.093,422 3.162,423 1.68,424 0.712,425 0.779,427 1.681,428 0.686,429 1.618,430 0.943,431 3,432 1.579,433 0.618,434 0.618,436 1.372,437 0.585,438 1.583,439 0.91,440 2.745,441 1.311,442 0.428,443 0.479,445 0.785,446 0.368,447 1.386,448 0.737,449 2.672,450 1.29,451 0.355,452 0.361,454 0.619,455 0.334,456 1.267,457 0.529,458 2.404,459 1.076,460 0.094,461 0.101,463 0.194,464 0.091,465 0.671,466 0.016,467 2.079,468 0.323,469 -0.646,470 -0.651,472 -1.43,473 -0.612,474 13.633,475 0.505,476 0.489,477 0.018,478 24,479 0.889,480 8,481 0.296,482 16,483 0.593,484 31.899,485 1.181,486 31.967,487 0.524,488 13.649,489 0.506,490 3.45,491 0.128,492 9.647,493 0.357,494 0.134,496 0.213,501 0.789,502 1.356,503 0.747,504 1.032,505 0.61,506 1.142,507 1.07,508 1.08,509 1.024,510 1.002,511 0.617,512 1.038,513 1.111,514 1.108,515 1.188,516 1.133,517 1.028,518 1.091,519 0.971,520 1.042,521 0.922,522 0.982,523 1.144,524 1.092,525 0.871,526 0.968,527 0.818,528 0.885,529 1.05,530 0.969,531 1.09,532 0.974,533 0.883,534 0.892,535 1.181,536 0.98,537 1.199,538 0.927,539 0.775,540 0.821,541 1.084,542 0.882,543 1.446,544 0.975,545 0.779,546 0.834,547 2.035,548 0.918,549 4.5,550 0.09,551 2.444,552 1.472,553 0.947,554 0.545,555 0.401,556 0.221,557 0.194,558 0.11,559 10519,560 24881,561 1.975,562 55.7,563 4,564 18,567 1,568 2,569 5,570 4,572 1.691,573 1.862,574 3.778,575 -0.346,577 1,582 90.563,583 1.485,584 3.103,585 4.824,586 5.402,587 5.402,588 5.402,589 3.254,590 4.385,591 4.727,592 3.992,593 1401.11,594 8.154,595 20426.1,597 1,600 361.775,601 1.311,602 4.691,603 0.161,604 0.005,605 0.07,606 0.045,607 0.032,608 0.019,609 0.016,610 0.009,611 0.009,612 0.006,613 0.371,614 0.33,615 0.88,616 0.76,617 140.515,618 0.032,619 -0.101,620 0.206,621 0.071,622 0.014,623 0.003,624 -0.023,625 0.053,626 -0.016,627 0.032,628 0.07,629 -0.001,630 -0.118,631 -0.057,632 -0.161,633 -0.11,634 -0.05,635 -0.085,636 -0.057,637 -0.057,638 -0.101,639 -0.097,640 -0.091,641 -0.119,642 0.026,643 -0.05,644 -0.008,645 -0.023,646 -0.039,647 -0.02,648 -0.023,649 -0.04,650 -0.042,651 -0.032,652 -0.062,653 -0.046,654 -0.024,655 -0.002,656 0.059,657 0.013,658 0.008,659 0.033,660 -0.055,661 -0.053,662 0.047,663 -0.008,664 -0.08,665 -0.005,666 1.466,667 4.962,668 0.407,669 31.325,670 0.986,671 1.129,672 2.99,673 8.937,674 0.646,675 3.367,676 3.584,677 3.738,678 3.829,679 3.829,680 3.761,681 3.761,682 3.638,683 3.526,684 3.466,685 8.452,686 0.578,687 410.71,688 3.367,689 4.844,690 5.631,691 6.441,692 7.242,693 8.056,694 8.863,695 9.68,696 10.491,697 11.31,698 3.3,701 1,705 1,715 4,720 2,722 6,739 1,741 61,743 7,744 1,745 28,747 62,748 21,749 6,750 2,751 4,756 2,757 2,763 1,767 2,770 8,772 7,773 14,777 1,782 1,786 1,790 1,793 34,794 4,795 1,796 6,797 2,802 2,808 1,809 2,828 1,829 1,843 1,855 1,859 2,861 1,862 2,864 3,868 27,876 9,877 1,878 1,879 2,880 2,881 1,893 3.3,896 1,898 1,901 14.5,902 11.367,903 6.306,904 3.901,907 1.006,908 1.155,909 0.911,910 10.83,911 7.502,912 3.497,913 3.861,914 4.193,915 4.529,916 4.851,917 4.769,918 4.844,919 4.64,920 4.434,921 4.397,922 1,923 33,924 10.053,926 3.983,927 0.026,929 7.494,931 20.083,933 16.09,936 1.994,937 53.833,939 1,940 1,941 388.446,942 159.825,943 21.135,945 36.145,947 60.363,948 99.462,949 424.591,950 21.135,951 28.105,952 38.329,953 37.905,954 29.85,955 22.553,957 448.81,959 388.446,960 120.597,961 36.145,962 60.363,964 282.506,965 142.085,968 50.279,969 70.318,971 60.363,972 388.446,973 57.28,974 159.825,977 388.446,978 93.815,979 69.134,980 18.011,981 36.145,982 388.446,983 57.28,984 159.825,986 0.556,987 0.316,988 0.154,989 0.071,990 12,991 6,992 0.194,993 12,995 1,996 4.116,997 192.774,999 11,1000 128.382,1001 2,1005 22.766,1006 12.844,1007 8.573,1009 57.28,1010 8.222,1015 2.144,1017 18.011,1018 605.551,1019 32,1024 11.962,1028 0.201,1031 60.149,1032 68.899,1034 0.25,1035 0.523,1036 0.813,1037 0.911,1038 0.911,1039 0.911,1040 4.696,1041 1.216,1042 5.557,1043 3.015,1044 4.263,1045 4.543,1046 2.306,1047 6.232,1048 4.167,1049 5.788,1050 1.088,1051 7.038,1052 2.639,1053 3.611,1054 4.06,1055 1.668,1056 6.893,1057 3.474,1058 7.014,1059 0.712,1060 8.62,1061 2.347,1062 5.727,1063 6.399,1064 3.01,1065 9.93,1066 5.547,1067 8.273,1068 0.618,1069 10.265,1070 1.681,1071 5.943,1072 6.754,1073 3.055,1074 11.458,1075 5.709,1076 9.567,1077 0.428,1078 11.951,1079 1.372,1080 7.451,1081 8.583,1082 4.064,1083 13.99,1084 7.194,1085 10.881,1086 0.355,1087 13.667,1088 0.785,1089 8.077,1090 9.327,1091 4.415,1092 15.889,1093 7.767,1094 12.213,1095 0.094,1096 15.405,1097 0.619,1098 9.328,1099 10.949,1100 5.256,1101 18.249,1102 9,1103 2.958,1104 -0.646,1105 17.16,1106 0.194,1107 10.164,1108 11.907,1109 5.751,1110 20.325,1111 9.788,1112 2.545,1113 9.469,1114 18.928,1115 -1.43,1116 11.302,1117 13.421,1118 6.503,1119 22.619,1120 10.907,1121 2.458,1122 6.998,1123 20.708,1124 3.731,1125 12.247,1126 14.509,1127 7.069,1128 24.781,1129 11.811,1130 2.371,1131 6.976,1132 22.498,1133 2.875,1134 13.337,1135 15.956,1136 7.771,1137 27.049,1138 12.88,1139 1.925,1140 6.091,1141 24.296,1142 2.828,1143 14.34,1144 17.125,1145 8.375,1146 29.253,1147 13.848,1148 1.582,1149 5.345,1150 26.101,1151 2.54,1152 15.413,1153 18.53,1154 9.051,1155 31.51,1156 14.897,1157 1.403,1158 3.305,1159 27.913,1160 2.237,1161 16.448,1162 19.751,1163 9.674,1164 33.736,1165 15.899,1166 10410,1167 16126,1168 18.375,1169 39.398,1170 39.497,1171 43.198,1172 40.808,1173 39.498,1174 39.508,1175 44.891,1176 8.01,1177 101.67,1178 37.549,1179 5.183,1180 6.08,1181 6.07,1182 4.968,1183 4.958,1184 6.731,1185 3.306,1186 16.157,1187 4.862,1188 13.645,1189 1.411,1190 1.543,1191 1.457,1192 1.411,1193 1.411,1194 1.603,1195 0.286,1196 3.631,1197 1.341,1198 3.961,1199 3.997,1200 4.232,1201 3.879,1202 7.429,1203 3.876,1204 3.823,1205 3.87,1206 3.89,1207 3.792,1208 4.867,1209 3.71,1210 3.716,1211 3.774,1212 3.658,1213 3.574,1214 4.424,1215 3.558,1216 3.611,1217 3.664,1218 3.516,1219 3.476,1220 4.275,1221 3.453,1222 3.444,1223 3.519,1224 3.334,1225 3.275,1226 4.212,1227 3.262,1228 3.277,1229 3.342,1230 3.158,1231 3.098,1232 4.092,1233 3.078,1234 3.217,1235 3.29,1236 3.03,1237 2.958,1238 3.919,1239 2.962,1240 3.104,1241 3.21,1242 2.878,1243 2.886,1244 3.783,1245 2.859,1246 0.15,1247 0.146,1248 0.227,1249 0.14,1250 0.106,1251 4.191,1252 0.133,1253 4.08,1254 0.068,1255 6.345,1256 0.338,1257 3.925,1258 0.102,1259 2.958,1260 3.731,1261 1.907,1262 9.469,1263 2.862,1264 1.925,1265 1.898,1266 2.052,1267 2.039,1268 1.38,1269 2.045,1270 1.777,1271 1.724,1272 1.999,1273 1.946,1274 1.286,1275 1.965,1276 1.678,1277 1.612,1278 1.908,1279 1.865,1280 1.156,1281 1.887,1282 1.544,1283 1.487,1284 1.779,1285 1.744,1286 1.123,1287 1.76,1288 1.431,1289 1.359,1290 1.718,1291 1.636,1292 0.868,1293 1.673,1294 1.275,1295 1.227,1296 1.576,1297 1.513,1298 0.836,1299 1.538,1300 1.189,1301 1.113,1302 1.554,1303 1.464,1304 0.646,1305 1.502,1306 1.143,1307 1.047,1308 1.512,1309 1.399,1310 0.57,1311 1.454,1312 4.043,1314 5.283,1315 2.398,1316 6.693,1317 4.443,1318 8.181,1319 6.26,1320 9.714,1322 6.03,1328 9.417,1329 3.068,1330 5.31,1331 4.02,1332 1.141,1333 2.318,1340 35.275,1341 90.563,1342 189.284,1343 294.291,1344 329.51,1345 329.51,1346 329.51,1347 60.622,1348 6.497,1349 41.57,1350 92.17,1351 11,1352 11.893,1353 3,1354 2.322,1355 59.104,1356 139,1357 118,1358 0.2,1359 229.556,1360 402.28,1361 551.877,1362 5981,1364 19.485,1365 0.722,1366 0.687,1367 20.192,1368 18.541,1369 13.097,1370 0.468,1371 0.442,1372 10.036,1373 11.771,1374 9.527,1375 7.961,1376 14.176,1377 12.372,1378 10.862,1379 0.31,1380 0.286,1381 12.13,1382 9.999,1383 8.682,1384 0.212,1385 0.199,1386 10.066,1387 8.161,1388 6.237,1389 0.139,1390 0.139,1391 7.644,1392 6.244,1393 4.179,1394 0.093,1395 0.073,1396 4.791,1397 3.273,1398 0.334,1399 90.927,1400 0.233,1401 27.283,1402 0.495,1403 126,1404 321.17,1405 176.119,1406 346.129,1407 459.38,1408 326,1409 139,1410 285.559,1411 187.42,1412 320.182,1413 451.27,1414 299,1415 4.13}
{0 CHEMBL1912064,1 1.485,2 14.37,3 3.983,4 15.863,5 119.385,6 6.733,7 0.214,8 4.147,9 4.279,10 3.765,11 3.721,12 5.045,13 3.6,14 4.74,15 4.952,16 3.966,17 4.09,18 5.557,19 3.934,20 4.994,21 5.239,22 3.858,23 4.192,24 5.777,25 3.998,26 5.031,27 5.298,28 3.781,29 4.158,30 5.809,31 3.956,32 5.018,33 5.299,34 3.72,35 4.108,36 5.77,37 3.895,38 4.911,39 5.181,40 3.644,41 3.997,42 5.721,43 3.787,44 4.811,45 5.089,46 3.612,47 3.858,48 5.575,49 3.667,50 4.688,51 4.966,52 3.589,53 3.766,54 5.513,55 3.591,56 0.069,57 0.865,58 19.133,59 7.19,60 8.571,61 8.898,62 0.274,63 1.386,64 31.855,65 11.34,66 22.904,67 14.773,68 0.341,69 1.631,70 42.611,71 14.498,72 33.534,73 18.567,74 0.387,75 1.61,76 40.281,77 14.132,78 39.621,79 18.909,80 0.376,81 1.548,82 40.008,83 14.052,84 38.382,85 18.646,86 0.413,87 1.393,88 36.521,89 12.511,90 45.961,91 16.481,92 0.365,93 1.251,94 33.726,95 10.43,96 30.711,97 14.153,98 0.279,99 1.132,100 29.283,101 9.196,102 30.08,103 12.699,104 19,105 35,106 0.246,107 0.513,108 0.787,109 0.872,110 0.872,111 0.872,112 3.338,113 1.327,114 -4.22,115 -4.16,116 -3.93,121 34.4,122 1,123 6,126 2,127 3,129 2,144 4,145 1,146 1,160 1,176 7,180 6,183 1,185 2,187 8,192 5,197 1,200 6,206 4,209 1,211 1,214 5,218 1,219 3,224 1,227 5,231 1,232 1,237 2,239 2,244 3,249 3,251 2,256 3,261 1,264 2,269 3,272 1,274 1,277 5,281 1262,282 18.087,283 18.087,284 18.087,285 18.087,286 18.087,287 17.233,288 22.048,289 11.267,290 18.635,291 13.824,292 13.824,293 13.824,294 13.824,295 13.824,296 12.451,297 26.994,298 5.385,299 14.611,300 4.446,301 2.828,302 1.172,303 0.66,304 0.66,305 0.66,306 4.005,311 1,312 1,313 799,314 4.416,317 98.278,318 111.59,325 2.357,326 17.721,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 57,338 388,339 4.186,340 4.08,341 6.3,342 3.907,343 2.937,344 3.732,345 1.907,346 9.295,347 2.849,348 3.666,349 3.574,350 5.379,351 3.468,352 2.545,353 2.862,354 0.916,355 6.998,356 2.398,357 3.653,358 3.354,359 5.353,360 3.386,361 2.445,362 2.828,363 0.86,364 6.949,365 2.296,366 3.538,367 3.264,368 5.034,369 3.364,370 2.372,371 2.54,372 0.172,373 6.09,374 2.268,375 3.047,376 2.833,377 4.743,378 2.78,379 1.843,380 2.144,381 0.149,382 4.856,383 1.719,384 2.693,385 2.161,386 3.75,387 2.593,388 1.624,389 1.74,391 3.389,392 1.566,393 2.623,394 1.82,395 3.632,396 2.457,397 1.486,398 1.64,400 3.115,401 1.432,402 2.54,403 1.662,404 3.504,405 2.2,406 1.218,407 1.529,409 2.652,410 1.194,411 2.141,412 1.419,413 3.309,414 2.025,415 1.113,416 1.132,418 2.388,419 0.991,420 1.874,421 1.177,422 3.153,423 1.685,424 0.76,425 0.813,427 1.644,428 0.694,429 1.737,430 1.088,431 3,432 1.581,433 0.618,434 0.671,436 1.381,437 0.59,438 1.618,439 0.751,440 3,441 1.576,442 0.609,443 0.618,445 1.372,446 0.584,447 1.373,448 0.738,449 2.642,450 1.246,451 0.287,452 0.299,454 0.628,455 0.27,456 1.103,457 0.377,458 2.284,459 0.837,460 -0.114,461 -0.127,463 -0.255,464 -0.107,465 0.673,466 -0.026,467 2,468 0.33,469 -0.631,470 -0.683,472 -1.47,473 -0.597,474 13.633,475 0.505,476 0.527,477 0.02,478 24,479 0.889,480 8,481 0.296,482 16,483 0.593,484 31.268,485 1.158,486 31.967,487 0.524,488 13.768,489 0.51,490 3.409,491 0.126,492 9.649,493 0.357,494 0.134,496 0.213,501 0.789,502 1.356,503 0.747,504 1.032,505 0.626,506 1.142,507 1.057,508 1.067,509 1.021,510 1.01,511 0.609,512 1.04,513 1.263,514 1.104,515 1.203,516 1.145,517 1.107,518 1.103,519 1.095,520 0.99,521 0.904,522 0.937,523 1.203,524 1.033,525 1.023,526 0.944,527 0.851,528 0.896,529 1.182,530 0.969,531 1.14,532 1.031,533 0.923,534 0.963,535 1.223,536 1.03,537 1.44,538 0.964,539 0.838,540 0.857,541 1.124,542 0.916,543 1.144,544 1.005,545 0.731,546 0.856,547 1.352,548 0.897,549 4.5,550 0.103,551 2.222,552 1.222,553 0.787,554 0.518,555 0.359,556 0.253,557 0.169,558 0.109,559 10759,560 24513,561 1.975,562 55.7,563 4,564 18,567 1,568 2,569 5,570 4,572 1.69,573 1.862,574 3.796,575 -0.346,577 1,582 90.563,583 1.485,584 3.103,585 4.759,586 5.271,587 5.271,588 5.271,589 3.236,590 4.31,591 4.728,592 4.029,593 1414.07,594 8.148,595 20981.2,597 1,600 361.775,601 1.311,602 4.691,603 0.161,604 0.006,605 0.063,606 0.038,607 0.027,608 0.019,609 0.015,610 0.011,611 0.008,612 0.006,613 0.354,614 0.33,615 0.88,616 0.936,617 141.278,618 0.032,619 -0.101,620 0.206,621 0.071,622 -0.003,623 0.003,624 -0.009,625 0.065,626 -0.012,627 0.024,628 0.08,629 -0.003,630 -0.133,631 -0.073,632 -0.17,633 -0.121,634 -0.072,635 -0.1,636 -0.031,637 -0.035,638 -0.069,639 -0.054,640 -0.081,641 -0.071,642 0.011,643 -0.025,644 -0.015,645 -0.017,646 -0.06,647 -0.015,648 0.06,649 -0.1,650 -0.053,651 -0.069,652 0.025,653 -0.078,654 -0.072,655 -0.038,656 0.03,657 0.002,658 -0.032,659 0.006,660 0.033,661 -0.063,662 0.105,663 -0.005,664 0.065,665 0.036,666 1.495,667 4.89,668 0.407,669 31.712,670 0.986,671 1.129,672 2.99,673 8.937,674 0.646,675 3.367,676 3.584,677 3.714,678 3.807,679 3.807,680 3.761,681 3.761,682 3.714,683 3.584,684 3.584,685 8.709,686 0.578,687 410.71,688 3.367,689 4.844,690 5.624,691 6.431,692 7.226,693 8.038,694 8.839,695 9.653,696 10.457,697 11.274,698 3.3,701 1,705 1,715 4,720 2,722 6,739 1,741 61,743 7,744 1,745 28,747 62,748 21,749 6,750 2,751 4,756 2,757 2,763 1,767 2,770 8,772 7,773 14,777 1,782 1,786 1,790 1,793 34,794 4,795 1,796 6,797 2,802 2,808 1,809 2,828 1,829 1,843 1,855 1,859 2,861 1,862 2,864 3,868 27,876 9,877 1,878 1,879 2,880 2,881 1,893 3.3,896 1,898 1,901 14.5,902 11.367,903 6.222,904 3.918,907 1.108,908 1.169,909 0.911,910 10.83,911 7.683,912 3.497,913 3.861,914 4.178,915 4.529,916 4.862,917 4.819,918 4.917,919 4.864,920 4.616,921 4.692,922 1,923 32,924 10.061,926 3.991,927 0.026,929 7.494,931 20.083,933 16.071,936 1.994,937 53.833,939 1,940 1,941 388.446,942 159.825,943 21.135,945 36.145,947 60.363,948 99.462,949 424.591,950 21.135,951 25.618,952 40.816,953 37.905,954 29.85,955 22.553,957 448.81,959 388.446,960 120.597,961 36.145,962 60.363,964 282.506,965 142.085,968 52.765,969 67.831,971 60.363,972 388.446,973 57.28,974 159.825,977 388.446,978 96.302,979 66.647,980 18.011,981 36.145,982 388.446,983 57.28,984 159.825,986 0.558,987 0.307,988 0.148,989 0.068,990 12,991 6,992 0.194,993 12,995 1,996 4.149,997 190.788,999 11,1000 124.382,1001 2,1005 22.766,1006 12.844,1007 9.013,1009 57.28,1010 8.257,1015 2.149,1017 18.011,1018 605.551,1019 32,1024 11.89,1028 0.172,1031 60.149,1032 68.899,1034 0.25,1035 0.523,1036 0.802,1037 0.889,1038 0.889,1039 0.889,1040 4.696,1041 1.218,1042 5.549,1043 3.115,1044 4.263,1045 4.543,1046 2.306,1047 6.213,1048 4.164,1049 5.788,1050 1.113,1051 7.022,1052 2.652,1053 3.611,1054 4.06,1055 1.668,1056 6.843,1057 3.474,1058 7.011,1059 0.76,1060 8.597,1061 2.388,1062 5.714,1063 6.392,1064 3.01,1065 9.877,1066 5.529,1067 8.265,1068 0.618,1069 10.234,1070 1.644,1071 5.916,1072 6.742,1073 3.055,1074 11.382,1075 5.687,1076 9.555,1077 0.609,1078 11.913,1079 1.381,1080 7.426,1081 8.576,1082 4.064,1083 13.901,1084 7.167,1085 10.867,1086 0.287,1087 13.623,1088 1.372,1089 8.038,1090 9.318,1091 4.415,1092 15.782,1093 7.735,1094 12.196,1095 -0.114,1096 15.354,1097 0.628,1098 9.291,1099 10.944,1100 5.256,1101 18.12,1102 8.965,1103 2.937,1104 -0.631,1105 17.102,1106 -0.255,1107 10.113,1108 11.902,1109 5.751,1110 20.178,1111 9.748,1112 2.545,1113 9.295,1114 18.865,1115 -1.47,1116 11.251,1117 13.418,1118 6.503,1119 22.449,1120 10.865,1121 2.445,1122 6.998,1123 20.638,1124 3.732,1125 12.183,1126 14.506,1127 7.069,1128 24.592,1129 11.764,1130 2.372,1131 6.949,1132 22.421,1133 2.862,1134 13.271,1135 15.955,1136 7.771,1137 26.837,1138 12.83,1139 1.843,1140 6.09,1141 24.212,1142 2.828,1143 14.263,1144 17.124,1145 8.375,1146 29.023,1147 13.792,1148 1.624,1149 4.856,1150 26.01,1151 2.54,1152 15.331,1153 18.529,1154 9.051,1155 31.258,1156 14.838,1157 1.486,1158 3.389,1159 27.815,1160 2.144,1161 16.356,1162 19.751,1163 9.674,1164 33.465,1165 15.835,1166 10671,1167 16245,1168 18.375,1169 39.398,1170 39.663,1171 43.418,1172 40.6,1173 39.743,1174 39.717,1175 45.096,1176 8.01,1177 101.515,1178 37.702,1179 5.175,1180 6.08,1181 6.075,1182 4.969,1183 4.937,1184 6.732,1185 3.306,1186 15.81,1187 4.849,1188 14.033,1189 1.417,1190 1.551,1191 1.45,1192 1.419,1193 1.418,1194 1.611,1195 0.286,1196 3.626,1197 1.347,1198 3.96,1199 3.992,1200 4.232,1201 3.878,1202 7.429,1203 3.876,1204 3.822,1205 3.869,1206 3.89,1207 3.792,1208 4.85,1209 3.709,1210 3.697,1211 3.751,1212 3.649,1213 3.56,1214 4.407,1215 3.537,1216 3.6,1217 3.668,1218 3.478,1219 3.428,1220 4.269,1221 3.415,1222 3.527,1223 3.593,1224 3.397,1225 3.373,1226 4.215,1227 3.361,1228 3.297,1229 3.355,1230 3.224,1231 3.111,1232 4.08,1233 3.096,1234 3.18,1235 3.282,1236 2.949,1237 2.978,1238 3.907,1239 2.954,1240 3.018,1241 3.099,1242 2.881,1243 2.803,1244 3.816,1245 2.798,1246 0.15,1247 0.146,1248 0.225,1249 0.14,1250 0.105,1251 4.186,1252 0.133,1253 4.08,1254 0.068,1255 6.3,1256 0.332,1257 3.907,1258 0.102,1259 2.937,1260 3.732,1261 1.907,1262 9.295,1263 2.849,1264 1.924,1265 1.898,1266 2.048,1267 2.034,1268 1.38,1269 2.04,1270 1.776,1271 1.723,1272 1.999,1273 1.946,1274 1.23,1275 1.965,1276 1.641,1277 1.58,1278 1.886,1279 1.848,1280 1.184,1281 1.868,1282 1.555,1283 1.485,1284 1.803,1285 1.776,1286 1.126,1287 1.79,1288 1.503,1289 1.438,1290 1.763,1291 1.68,1292 0.896,1293 1.717,1294 1.282,1295 1.236,1296 1.599,1297 1.5,1298 0.843,1299 1.529,1300 1.213,1301 1.113,1302 1.531,1303 1.459,1304 0.677,1305 1.508,1306 1.048,1307 1.003,1308 1.417,1309 1.29,1310 0.543,1311 1.329,1312 4.043,1314 5.283,1315 2.398,1316 6.686,1317 4.443,1318 8.165,1319 6.26,1320 9.69,1322 6.335,1328 8.82,1329 3.007,1330 5.84,1331 4.009,1332 1.174,1333 2.181,1340 35.275,1341 90.563,1342 189.284,1343 290.291,1344 321.51,1345 321.51,1346 321.51,1347 61.476,1348 6.575,1349 41.57,1350 92.17,1351 11,1352 11.86,1353 3,1354 2.322,1355 59.178,1356 144,1357 118,1358 0.193,1359 229.556,1360 402.28,1361 551.877,1362 6839,1364 19.485,1365 0.722,1366 0.687,1367 20.192,1368 18.541,1369 13.059,1370 0.466,1371 0.442,1372 10.051,1373 11.746,1374 9.537,1375 7.971,1376 14.138,1377 12.384,1378 11.074,1379 0.316,1380 0.289,1381 12.342,1382 10.126,1383 8.462,1384 0.212,1385 0.199,1386 9.846,1387 7.941,1388 6.088,1389 0.138,1390 0.136,1391 7.496,1392 5.99,1393 4.086,1394 0.093,1395 0.071,1396 4.698,1397 3.108,1398 0.325,1399 90.576,1400 0.233,1401 27.399,1402 0.474,1403 126,1404 321.17,1405 176.451,1406 346.359,1407 459.82,1408 326,1409 138,1410 287.116,1411 186.752,1412 320.589,1413 452.69,1414 300,1415 4.599}
{0 CHEMBL191314,1 1.393,2 21.681,3 8.434,4 71.127,5 187.06,6 7.228,7 0.538,8 4.546,9 4.652,10 4.092,11 4.125,12 5.617,13 4.094,14 5.088,15 5.248,16 4.435,17 4.515,18 6.139,19 4.462,20 5.345,21 5.541,22 4.5,23 4.66,24 6.341,25 4.577,26 5.417,27 5.639,28 4.447,29 4.659,30 6.369,31 4.557,32 5.385,33 5.601,34 4.435,35 4.649,36 6.334,37 4.548,38 5.425,39 5.652,40 4.448,41 4.652,42 6.384,43 4.547,44 5.419,45 5.645,46 4.365,47 4.609,48 6.386,49 4.5,50 5.322,51 5.551,52 4.234,53 4.527,54 6.263,55 4.402,56 0.033,57 1.129,58 17.966,59 8.513,60 10.71,61 10.836,62 0.416,63 1.886,64 33.941,65 14.115,66 41.837,67 18.449,68 0.455,69 2.323,70 46.175,71 19.043,72 60.69,73 24.968,74 0.565,75 2.483,76 51.273,77 20.221,78 73.185,79 26.996,80 0.444,81 2.431,82 48.898,83 19.641,84 60.575,85 26.225,86 0.473,87 2.502,88 51.556,89 20.609,90 70.458,91 27.745,92 0.665,93 2.449,94 52.403,95 19.987,96 83.397,97 26.288,98 0.511,99 2.239,100 47.039,101 18.485,102 72.324,103 24.69,104 20,105 71,106 0.206,107 0.504,108 0.699,109 0.829,110 0.868,111 0.875,112 3.874,113 0.939,114 -5.99,115 -5.84,116 -5.44,121 46,123 5,126 2,127 3,137 1,140 1,144 16,145 7,146 3,159 1,161 1,176 27,179 1,180 11,183 2,187 34,191 1,192 11,200 31,205 1,206 13,211 2,214 26,218 1,219 11,224 2,227 23,231 1,232 14,237 1,239 23,243 1,244 10,247 1,251 26,255 1,256 7,264 26,269 8,274 1,277 17,281 5717,282 32.369,283 32.369,284 32.369,285 32.369,286 32.369,287 28.708,288 27.381,289 19.554,290 32.89,291 25.702,292 25.702,293 25.702,294 25.702,295 25.702,296 19.99,297 33.89,298 9.352,299 26.475,300 5.05,301 3.034,302 1.714,303 0.835,304 0.569,305 0.523,306 4.588,313 2250,314 4.899,317 121.757,318 713.363,321 220.387,322 430.875,325 3.289,326 37.437,329 0.5,330 0.33,331 0.67,332 0.7,333 0.5,334 0.67,335 0.5,336 0.55,337 100,338 1019,339 4.714,340 3.73,341 6.848,342 4.258,343 3.264,344 4.741,345 2.186,346 11.423,347 3.248,348 4.503,349 3.66,350 6.678,351 4.129,352 3.144,353 4.118,354 0.916,355 10.737,356 3.096,357 4.105,358 3.224,359 5.982,360 3.723,361 2.761,362 3.798,363 0.86,364 8.37,365 2.661,366 4.032,367 2.984,368 5.681,369 3.532,370 2.532,371 3.688,372 0.86,373 7.996,374 2.532,375 3.888,376 2.941,377 5.641,378 3.454,379 2.497,380 3.348,381 0.366,382 7.544,383 2.388,384 3.672,385 2.632,386 5.376,387 3.38,388 2.451,389 3.026,390 0.172,391 6.815,392 2.261,393 3.601,394 2.607,395 5.29,396 3.17,397 2.185,398 2.886,400 6.785,401 2.151,402 3.378,403 2.532,404 5.171,405 3.123,406 2.167,407 2.558,409 6.012,410 2.055,411 3.304,412 2.292,413 4.862,414 2.886,415 1.912,416 2.515,418 5.594,419 1.855,420 3.09,421 2.171,422 4.77,423 2.815,424 1.835,425 2.269,427 4.971,428 1.786,429 3.055,430 2.013,431 4.585,432 2.716,433 1.742,434 2.177,436 4.814,437 1.687,438 3.006,439 1.845,440 4.116,441 2.635,442 1.684,443 2.174,445 3.68,446 1.583,447 2.847,448 1.551,449 3.885,450 2.515,451 1.517,452 2.021,454 3.329,455 1.512,456 2.825,457 1.519,458 3.857,459 2.358,460 1.386,461 1.87,463 3.274,464 1.347,465 2.747,466 1.411,467 3.62,468 2.347,469 1.347,470 1.834,472 2.902,473 1.342,474 22.467,475 0.478,476 0.951,477 0.02,478 61.25,479 1.303,480 32,481 0.681,482 29.25,483 0.622,484 44.275,485 0.942,486 49.533,487 0.569,488 52.436,489 1.116,490 12.061,491 0.257,492 10.917,493 0.232,494 0.074,496 0.307,501 0.755,502 1.176,503 0.801,504 1.066,505 0.587,506 0.957,507 0.851,508 0.942,509 0.905,510 0.954,511 0.55,512 0.93,513 0.993,514 0.992,515 0.935,516 0.992,517 0.746,518 0.963,519 1.014,520 0.944,521 0.952,522 0.937,523 0.955,524 0.937,525 0.971,526 1.004,527 0.982,528 1.011,529 0.948,530 1,531 0.879,532 1.007,533 0.911,534 1.013,535 0.751,536 0.973,537 1.286,538 0.877,539 1.061,540 0.922,541 1.187,542 0.957,543 1.086,544 0.981,545 1.069,546 1.007,547 1.236,548 1.034,549 8,550 0.198,551 4,552 3.389,553 2.156,554 1.396,555 1.007,556 0.738,557 0.395,558 0.267,559 54065,560 132307,561 2.127,562 46,563 6,564 29,567 1,569 4,572 1.828,573 2.029,574 4.288,575 -0.485,582 121.172,583 1.393,584 3.409,585 4.729,586 5.608,587 5.874,588 5.92,589 3.703,590 5.156,591 5.527,592 4.578,593 4949.14,594 9.748,595 111480,600 560.536,601 1.253,602 5.503,603 0.154,604 0.005,605 0.056,606 0.046,607 0.031,608 0.021,609 0.015,610 0.012,611 0.007,612 0.006,613 0.353,614 0.17,615 0.5,616 0.775,617 289.928,618 -0.003,619 -0.076,620 0.06,621 -0.031,622 -0.02,623 0.015,624 0.105,625 0.136,626 0.027,627 0.042,628 0.122,629 0.032,630 0.013,631 0.001,632 0.032,633 0.014,634 0.078,635 0.024,636 -0.006,637 0.04,638 0.038,639 0.054,640 0.011,641 0.053,642 -0.025,643 -0.007,644 -0.007,645 -0.017,646 -0.038,647 -0.01,648 0.057,649 -0.03,650 0.073,651 -0.018,652 0.089,653 0.024,654 -0.097,655 0.098,656 -0.044,657 0.059,658 -0.053,659 0.02,660 -0.071,661 -0.008,662 -0.074,663 -0.017,664 -0.087,665 -0.043,666 2.132,667 6.307,668 0.617,669 80.412,670 0.996,671 1.114,672 4.76,673 22.659,674 0.675,675 3.97,676 4.277,677 4.554,678 4.844,679 5.1,680 5.22,681 5.394,682 5.565,683 5.659,684 5.71,685 12.686,686 0.639,687 628.82,688 3.97,689 5.509,690 6.358,691 7.233,692 8.103,693 8.991,694 9.873,695 10.769,696 11.659,697 12.56,698 2.3,701 1,705 1,714 4,715 16,720 6,722 28,727 1,737 1,739 2,741 87,743 31,744 5,745 52,747 92,748 40,749 26,750 10,751 16,752 3,756 6,757 10,770 5,772 30,773 10,777 3,782 2,784 1,786 3,793 40,794 7,795 1,796 7,802 2,808 0.5,809 5,828 1,829 5,832 1,833 2,849 2,855 1,859 3,864 2,868 47,876 8,877 1,878 3,881 1,893 5.7,896 2,898 3,901 23.167,902 16.2,903 10.444,904 5.483,907 6.346,908 1.666,909 0.998,910 10.64,911 15.871,912 4.248,913 4.848,914 5.463,915 6.103,916 6.743,917 7.143,918 7.638,919 8.134,920 8.578,921 8.88,922 0.929,923 74,924 17.429,926 7.376,927 0.026,929 7.642,931 33.736,933 27.78,936 2.142,937 100.667,941 459.073,942 252.084,943 21.135,945 83.29,948 252.084,949 542.362,950 21.135,951 16.793,952 39.487,953 161.096,954 60.667,955 71.703,956 6.763,957 459.073,959 459.073,960 273.219,961 83.29,964 411.989,965 130.374,968 42.612,969 215.888,970 14.72,972 459.073,973 104.425,974 252.084,977 459.073,978 74.195,979 181.013,980 18.011,981 83.29,982 459.073,983 104.425,984 252.084,986 0.571,987 0.33,988 0.182,989 0.102,990 32,991 14,992 0.152,993 14,994 3,995 1.207,996 5.812,997 472.813,998 0.207,999 29,1000 249.066,1005 32.46,1006 15.406,1007 8.092,1008 4.411,1009 104.425,1010 31.742,1015 4.446,1017 18.011,1018 815.581,1019 69,1024 24.768,1026 1.882,1028 -0.252,1031 86.629,1032 96.932,1034 0.216,1035 0.529,1036 0.734,1037 0.87,1038 0.912,1039 0.919,1040 5.476,1041 2.167,1042 6.323,1043 6.785,1044 4.963,1045 5.537,1046 2.639,1047 7.119,1048 4.91,1049 6.674,1050 1.912,1051 7.864,1052 6.012,1053 4.443,1054 5.323,1055 1.847,1056 7.976,1057 4.369,1058 7.977,1059 1.835,1060 9.509,1061 5.594,1062 6.532,1063 7.768,1064 3.582,1065 11.117,1066 6.437,1067 9.318,1068 1.742,1069 11.217,1070 4.971,1071 6.868,1072 8.425,1073 3.603,1074 12.862,1075 6.763,1076 10.696,1077 1.684,1078 12.968,1079 4.814,1080 8.393,1081 10.332,1082 4.922,1083 15.518,1084 8.273,1085 12.1,1086 1.517,1087 14.75,1088 3.68,1089 9.152,1090 11.423,1091 5.291,1092 17.645,1093 9.03,1094 13.526,1095 1.386,1096 16.555,1097 3.329,1098 10.445,1099 13.103,1100 6.39,1101 20.139,1102 10.314,1103 3.264,1104 1.347,1105 18.379,1106 3.274,1107 11.415,1108 14.417,1109 6.93,1110 22.431,1111 11.283,1112 3.144,1113 11.423,1114 20.217,1115 2.902,1116 12.616,1117 16.001,1118 7.902,1119 24.872,1120 12.478,1121 2.761,1122 10.737,1123 22.068,1124 4.741,1125 13.687,1126 17.428,1127 8.539,1128 27.234,1129 13.548,1130 2.532,1131 8.37,1132 23.929,1133 4.118,1134 14.855,1135 18.976,1136 9.436,1137 29.657,1138 14.711,1139 2.497,1140 7.996,1141 25.798,1142 3.798,1143 15.974,1144 20.46,1145 10.13,1146 32.051,1147 15.828,1148 2.451,1149 7.544,1150 27.675,1151 3.688,1152 17.134,1153 21.998,1154 10.981,1155 34.47,1156 16.984,1157 2.185,1158 6.815,1159 29.557,1160 3.348,1161 18.276,1162 23.512,1163 11.71,1164 36.877,1165 18.123,1166 50091,1167 78563,1168 35.482,1169 58.75,1170 76.587,1171 79.276,1172 78.526,1173 76.301,1174 76.311,1175 100.584,1176 10.723,1177 214.549,1178 74.247,1179 5.679,1180 5.73,1181 6.739,1182 5.342,1183 5.264,1184 7.741,1185 3.889,1186 18.954,1187 5.248,1188 20.634,1189 1.473,1190 1.525,1191 1.51,1192 1.467,1193 1.468,1194 1.934,1195 0.206,1196 4.126,1197 1.428,1198 4.188,1199 4.202,1200 4.154,1201 4.157,1202 7.435,1203 4.154,1204 3.984,1205 3.997,1206 3.95,1207 3.895,1208 7.427,1209 3.906,1210 3.939,1211 3.963,1212 3.878,1213 3.855,1214 4.993,1215 3.856,1216 3.77,1217 3.828,1218 3.686,1219 3.707,1220 4.884,1221 3.698,1222 3.758,1223 3.788,1224 3.622,1225 3.642,1226 4.813,1227 3.627,1228 3.612,1229 3.675,1230 3.504,1231 3.431,1232 4.615,1233 3.438,1234 3.528,1235 3.586,1236 3.449,1237 3.376,1238 4.562,1239 3.375,1240 3.487,1241 3.519,1242 3.379,1243 3.217,1244 4.329,1245 3.258,1246 0.091,1247 0.072,1248 0.132,1249 0.082,1250 0.063,1251 4.714,1252 0.091,1253 3.73,1254 0.042,1255 6.848,1256 0.22,1257 4.258,1258 0.062,1259 3.264,1260 4.741,1261 2.186,1262 11.423,1263 3.248,1264 2.162,1265 2.149,1266 2.224,1267 2.199,1268 1.402,1269 2.208,1270 1.912,1271 1.885,1272 2.052,1273 2.028,1274 1.392,1275 2.035,1276 1.869,1277 1.856,1278 2.008,1279 1.977,1280 1.209,1281 1.983,1282 1.773,1283 1.744,1284 1.944,1285 1.92,1286 1.111,1287 1.935,1288 1.772,1289 1.714,1290 1.902,1291 1.849,1292 1.055,1293 1.869,1294 1.577,1295 1.515,1296 1.831,1297 1.794,1298 0.978,1299 1.806,1300 1.503,1301 1.487,1302 1.692,1303 1.726,1304 0.855,1305 1.716,1306 1.405,1307 1.336,1308 1.659,1309 1.649,1310 0.69,1311 1.632,1312 4.654,1314 5.964,1315 2.398,1316 7.467,1317 4.844,1318 9.068,1319 7.018,1320 10.726,1322 3.654,1328 7.881,1329 2.464,1330 17.384,1333 2.285,1340 55.626,1341 121.172,1342 296.577,1343 411.443,1344 487.907,1345 511.026,1346 515.026,1347 87.692,1348 9.524,1349 81.01,1350 81.01,1351 35,1352 13.084,1353 5,1354 4.17,1355 74.099,1356 365,1357 373,1358 0.095,1359 336.835,1360 595.61,1361 813.638,1362 291820,1364 32.589,1365 0.693,1366 0.574,1367 32.589,1368 26.96,1369 22.979,1370 0.442,1371 0.313,1372 16.091,1373 22.276,1374 15.683,1375 13.065,1376 22.979,1377 16.27,1378 20.197,1379 0.284,1380 0.169,1381 20.197,1382 11.971,1383 17.009,1384 0.181,1385 0.09,1386 17.009,1387 8.448,1388 14.351,1389 0.114,1390 0.048,1391 14.351,1392 6.053,1393 11.853,1394 0.073,1395 0.026,1396 11.853,1397 4.217,1398 0.16,1399 142.823,1400 0.168,1401 42.551,1402 0.232,1403 246,1404 680.656,1405 265.743,1406 654.71,1407 904.95,1408 616,1409 288,1410 672.442,1411 307.222,1412 681.582,1413 1000.44,1414 642,1415 4.102}
{0 CHEMBL191315,1 1.556,2 12.964,3 1.726,4 2.98,5 104.627,6 7.236,7 0.4,8 4.057,9 4.171,10 3.595,11 3.534,12 5.157,13 3.525,14 4.613,15 4.798,16 3.906,17 3.889,18 5.643,19 3.863,20 4.82,21 5.009,22 3.997,23 4.057,24 5.895,25 4.001,26 4.919,27 5.124,28 3.876,29 4.069,30 5.951,31 3.97,32 4.981,33 5.236,34 3.783,35 3.993,36 6.021,37 3.884,38 4.783,39 5.019,40 3.754,41 3.903,42 5.83,43 3.813,44 4.75,45 4.988,46 3.759,47 3.855,48 5.844,49 3.769,50 4.701,51 4.948,52 3.653,53 3.702,54 5.806,55 3.633,56 0.031,57 0.752,58 11.215,59 4.822,60 7.142,61 6.383,62 0.396,63 1.178,64 22.318,65 7.286,66 27.519,67 10.19,68 0.559,69 1.396,70 27.688,71 9.505,72 47.157,73 13.051,74 0.407,75 1.441,76 31.094,77 11.191,78 61.451,79 15.203,80 0.731,81 1.428,82 35.664,83 10.751,84 100.644,85 15.465,86 0.494,87 1.262,88 27.99,89 8.962,90 55.291,91 12.89,92 0.421,93 1.19,94 27.074,95 9.16,96 55.373,97 12.98,98 0.501,99 1.069,100 26.696,101 7.918,102 63.562,103 11.369,104 21,105 40,106 0.26,107 0.554,108 0.734,109 0.808,110 0.834,111 0.853,112 3.374,113 0.927,114 -2.25,115 -2.29,116 -2.26,121 39.6,123 2,126 2,127 4,144 6,145 1,146 2,147 1,148 1,160 2,176 6,179 2,180 7,187 6,191 4,192 6,200 3,205 1,206 8,214 1,218 1,219 8,231 2,232 6,243 3,244 8,251 1,255 1,256 5,264 1,268 3,269 3,277 3,281 1312,282 19.102,283 19.102,284 19.102,285 19.102,286 19.102,287 17.366,288 21.946,289 11.345,290 19.667,291 14.664,292 14.664,293 14.664,294 14.664,295 14.664,296 11.886,297 21.688,298 5.22,299 15.353,300 4.172,301 2.419,302 1.34,303 0.896,304 0.745,305 0.632,306 4.057,310 1,311 1,312 1,313 766,314 3.162,318 317.564,325 2.255,326 31.463,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 61.5,338 363,339 4.266,340 3.887,341 6.252,342 3.955,343 2.995,344 3.91,345 2.058,346 9.374,347 2.867,348 4.144,349 3.528,350 6.165,351 3.848,352 2.895,353 3.449,354 1.909,355 9.122,356 2.761,357 3.895,358 3.208,359 5.748,360 3.506,361 2.542,362 3.309,363 0.86,364 7.632,365 2.45,366 3.639,367 2.736,368 5.332,369 3.357,370 2.394,371 2.873,372 0.86,373 6.921,374 2.301,375 3.531,376 2.616,377 5.245,378 3.197,379 2.218,380 2.755,381 0.767,382 6.603,383 2.159,384 2.967,385 2.34,386 4.547,387 2.702,388 1.706,389 2.112,390 0.397,391 4.683,392 1.679,393 2.919,394 2.177,395 4.366,396 2.521,397 1.609,398 2.057,400 4.125,401 1.479,402 2.841,403 2.058,404 3.766,405 2.488,406 1.5,407 1.857,409 3.207,410 1.461,411 2.5,412 1.573,413 3.57,414 2.075,415 1.081,416 1.5,418 2.612,419 1.065,420 2.361,421 1.167,422 3.247,423 1.958,424 1,425 1.257,427 2.136,428 0.956,429 1.956,430 1,431 3.196,432 1.684,433 0.752,434 0.87,436 1.586,437 0.693,438 1.671,439 0.937,440 3.006,441 1.486,442 0.547,443 0.601,445 1.114,446 0.51,447 1.567,448 0.836,449 2.778,450 1.259,451 0.348,452 0.384,454 0.558,455 0.303,456 1.42,457 0.829,458 2.644,459 1.15,460 0.188,461 0.227,463 0.358,464 0.184,465 0.868,466 0.515,467 2.508,468 0.575,469 -0.385,470 -0.447,472 -0.756,473 -0.361,474 13.033,475 0.465,476 0.571,477 0.02,478 34.5,479 1.232,480 16,481 0.571,482 18.5,483 0.661,484 22.932,485 0.819,486 31.367,487 0.592,488 26.591,489 0.95,490 7.256,491 0.259,492 6.344,493 0.227,494 0.128,496 0.292,501 0.75,502 1.568,503 0.787,504 1.302,505 0.539,506 1.089,507 1.082,508 1.046,509 0.933,510 0.883,511 0.676,512 0.867,513 0.98,514 1.01,515 1.064,516 1.048,517 1.102,518 1.059,519 1.094,520 1.23,521 1.169,522 1.295,523 1.376,524 1.264,525 1.196,526 0.901,527 1.039,528 0.859,529 1.198,530 0.912,531 0.989,532 0.986,533 1.016,534 0.967,535 1.066,536 0.987,537 0.837,538 0.999,539 0.858,540 1.024,541 1.058,542 0.962,543 1.162,544 0.963,545 0.897,546 0.903,547 1.375,548 0.854,549 5.5,550 0.124,551 3.111,552 1.375,553 1.689,554 0.819,555 0.447,556 0.479,557 0.348,558 0.167,559 10552,560 29144,561 2.034,562 47.2,564 20,566 1,568 2,569 2,572 1.706,573 1.909,574 3.642,575 -0.742,576 1,577 1,582 82.49,583 1.556,584 3.309,585 4.388,586 4.832,587 4.982,588 5.096,589 3.128,590 4.423,591 4.776,592 3.827,593 1446.67,594 8.281,595 20041.1,597 1,599 1,600 303.58,601 1.379,602 4.74,603 0.183,604 0.007,605 0.078,606 0.033,607 0.048,608 0.026,609 0.014,610 0.015,611 0.012,612 0.007,613 0.423,614 0.33,615 1,616 0.845,617 143.661,618 -0.015,619 -0.333,620 0.067,621 -0.17,622 0.001,623 -0.059,624 -0.069,625 0.085,626 0.024,627 0.109,628 -0.015,629 0.09,630 0.024,631 0.085,632 -0.11,633 -0.045,634 -0.075,635 -0.091,636 -0.109,637 -0.238,638 -0.211,639 -0.273,640 -0.16,641 -0.268,642 -0.096,643 0.014,644 -0.019,645 0.082,646 -0.002,647 0.051,648 -0.04,649 0.015,650 -0.036,651 -0.001,652 -0.015,653 -0.015,654 0.087,655 -0.038,656 0.121,657 -0.039,658 0.093,659 0.031,660 -0.001,661 -0.043,662 0.133,663 0.031,664 0.025,665 0.101,666 1.693,667 5.478,668 0.643,669 31.551,670 1.006,671 1.13,672 1.019,673 1.038,674 0.645,675 3.434,676 3.714,677 3.951,678 4.127,679 4.331,680 4.277,681 4.29,682 4.382,683 4.533,684 4.575,685 7.524,686 0.617,687 383.49,688 3.434,689 4.949,690 5.778,691 6.627,692 7.47,693 8.321,694 9.17,695 10.023,696 10.874,697 11.728,698 5.7,705 2,708 1,715 7,716 1,720 4,722 12,739 2,741 53,743 14,744 1,745 30,747 55,748 21,749 11,750 3,751 3,756 3,757 3,770 2,772 13,773 8,777 2,782 2,786 2,789 1,790 1,793 25,794 7,796 7,802 3,808 1,809 4,822 1,829 3,844 2,859 3,864 2,868 28,876 6,878 2,881 2,893 7.5,896 2,898 2,901 14.667,902 10.1,903 6.417,904 3.04,907 1.917,908 1.267,909 0.943,910 7.015,911 9.098,912 3.664,913 4.159,914 4.615,915 5.024,916 5.47,917 5.36,918 5.434,919 5.564,920 5.875,921 6.082,922 0.889,923 42,924 10.394,926 4.305,927 0.026,929 7.821,931 19.727,933 15.632,936 2.321,937 65,941 294.278,942 127.001,943 23.034,945 72.29,948 127.001,949 366.567,950 23.034,951 21.766,952 19.741,953 56.857,954 88.256,955 47.476,957 282.506,959 294.278,960 150.036,961 72.29,964 270.735,965 95.832,968 31.545,969 101.705,970 16.786,972 294.278,973 95.324,974 127.001,977 294.278,978 39.33,979 93.92,981 89.075,982 294.278,983 95.324,984 127.001,986 0.569,987 0.34,988 0.176,989 0.095,990 17,991 8,992 0.145,993 8,995 1,996 4.05,997 225.692,999 18,1000 134.606,1005 20.309,1006 9.671,1007 5.316,1009 95.324,1010 13.11,1011 4.259,1015 3.259,1018 516.603,1019 38,1024 24.92,1028 -0.052,1031 53.334,1032 59.9,1034 0.272,1035 0.578,1036 0.766,1037 0.844,1038 0.87,1039 0.89,1040 4.883,1041 1.5,1042 5.74,1043 4.125,1044 4.394,1045 4.844,1046 2.914,1047 6.497,1048 4.312,1049 6.044,1050 1.081,1051 7.27,1052 3.207,1053 3.892,1054 4.511,1055 2.262,1056 7.298,1057 3.778,1058 7.32,1059 1,1060 8.898,1061 2.612,1062 5.943,1063 6.882,1064 3.811,1065 10.336,1066 5.778,1067 8.626,1068 0.752,1069 10.581,1070 2.136,1071 6.256,1072 7.324,1073 3.885,1074 11.925,1075 6.045,1076 9.961,1077 0.547,1078 12.299,1079 1.586,1080 7.749,1081 9.188,1082 5.001,1083 14.463,1084 7.499,1085 11.316,1086 0.348,1087 14.04,1088 1.114,1089 8.444,1090 9.995,1091 5.386,1092 16.383,1093 8.14,1094 12.685,1095 0.188,1096 15.798,1097 0.558,1098 9.701,1099 11.637,1100 6.303,1101 18.737,1102 9.361,1103 2.995,1104 -0.385,1105 17.566,1106 0.358,1107 10.587,1108 12.645,1109 6.836,1110 20.811,1111 10.192,1112 2.895,1113 9.374,1114 19.344,1115 -0.756,1116 11.739,1117 14.17,1118 7.653,1119 23.089,1120 11.306,1121 2.542,1122 9.122,1123 21.129,1124 3.91,1125 12.72,1126 15.301,1127 8.263,1128 25.238,1129 12.234,1130 2.394,1131 7.632,1132 22.919,1133 3.449,1134 13.827,1135 16.757,1136 9.027,1137 27.485,1138 13.3,1139 2.218,1140 6.921,1141 24.713,1142 3.309,1143 14.856,1144 17.967,1145 9.681,1146 29.671,1147 14.279,1148 1.706,1149 6.603,1150 26.512,1151 2.873,1152 15.944,1153 19.381,1154 10.417,1155 31.905,1156 15.325,1157 1.609,1158 4.683,1159 28.314,1160 2.755,1161 16.998,1162 20.643,1163 11.094,1164 34.11,1165 16.33,1166 10277,1167 17187,1168 19.879,1169 34.211,1170 43.885,1171 45.454,1172 45.103,1173 43.497,1174 43.552,1175 54.321,1176 13.701,1177 120.061,1178 41.736,1179 5.266,1180 5.887,1181 6.054,1182 5.022,1183 4.995,1184 6.91,1185 3.571,1186 16.062,1187 4.867,1188 13.93,1189 1.463,1190 1.515,1191 1.503,1192 1.45,1193 1.452,1194 1.811,1195 0.457,1196 4.002,1197 1.391,1198 3.977,1199 4.013,1200 3.915,1201 3.874,1202 7.434,1203 3.878,1204 3.897,1205 3.932,1206 3.834,1207 3.786,1208 7.42,1209 3.791,1210 3.807,1211 3.848,1212 3.747,1213 3.609,1214 4.933,1215 3.639,1216 3.467,1217 3.532,1218 3.34,1219 3.284,1220 4.883,1221 3.284,1222 3.311,1223 3.37,1224 3.166,1225 3.135,1226 4.496,1227 3.131,1228 3.247,1229 3.314,1230 3.085,1231 2.953,1232 4.336,1233 2.962,1234 3.168,1235 3.223,1236 3.051,1237 2.933,1238 4.148,1239 2.959,1240 3.139,1241 3.187,1242 2.934,1243 2.901,1244 3.934,1245 2.897,1246 0.142,1247 0.13,1248 0.208,1249 0.132,1250 0.1,1251 4.266,1252 0.13,1253 3.887,1254 0.069,1255 6.252,1256 0.312,1257 3.955,1258 0.096,1259 2.995,1260 3.91,1261 2.058,1262 9.374,1263 2.867,1264 1.916,1265 1.894,1266 2.034,1267 2.055,1268 1.268,1269 2.046,1270 1.865,1271 1.824,1272 1.999,1273 2.001,1274 1.197,1275 2.002,1276 1.727,1277 1.682,1278 1.868,1279 1.932,1280 1.014,1281 1.916,1282 1.44,1283 1.376,1284 1.691,1285 1.662,1286 0.863,1287 1.673,1288 1.29,1289 1.234,1290 1.583,1291 1.526,1292 0.751,1293 1.546,1294 1.192,1295 1.115,1296 1.576,1297 1.521,1298 0.611,1299 1.539,1300 1.135,1301 1.05,1302 1.493,1303 1.389,1304 0.574,1305 1.428,1306 1.082,1307 1.044,1308 1.369,1309 1.342,1310 0.559,1311 1.339,1312 4.111,1314 5.398,1316 6.887,1318 8.464,1320 10.085,1322 3.184,1328 2.532,1330 10.552,1333 3.236,1340 32.718,1341 82.49,1342 175.36,1343 232.56,1344 256.07,1345 264.07,1346 270.07,1347 60.137,1348 7.182,1349 71.97,1350 71.97,1351 18,1352 12.283,1353 3.907,1354 3.17,1355 49.98,1356 126,1357 120,1358 0.191,1359 202.978,1360 360.02,1361 487.027,1362 13012,1364 19.933,1365 0.712,1366 0.581,1367 19.933,1368 16.259,1369 13.601,1370 0.453,1371 0.309,1372 9.083,1373 12.895,1374 8.824,1375 7.319,1376 13.601,1377 9.268,1378 11.621,1379 0.291,1380 0.166,1381 11.621,1382 6.641,1383 9.872,1384 0.194,1385 0.095,1386 9.872,1387 4.84,1388 7.708,1389 0.126,1390 0.053,1391 7.708,1392 3.206,1393 6.222,1394 0.083,1395 0.03,1396 6.222,1397 2.229,1398 0.308,1399 86.595,1400 0.224,1401 27.357,1402 0.5,1403 140,1404 461.877,1405 156.736,1406 430.413,1407 572.5,1408 404,1409 161,1410 399.462,1411 178.57,1412 403.072,1413 580.39,1414 375,1415 4.699}
{0 CHEMBL191386,1 1.459,2 18.513,3 5.577,4 31.1,5 152.163,6 7.574,7 0.535,8 4.328,9 4.427,10 3.913,11 3.893,12 5.455,13 3.878,14 4.849,15 4.999,16 4.258,17 4.265,18 5.977,19 4.236,20 5.074,21 5.244,22 4.293,23 4.387,24 6.164,25 4.327,26 5.15,27 5.363,28 4.194,29 4.349,30 6.177,31 4.263,32 5.063,33 5.266,34 4.136,35 4.295,36 6.091,37 4.21,38 5.089,39 5.311,40 4.1,41 4.269,42 6.091,43 4.175,44 5.016,45 5.225,46 4.055,47 4.222,48 6.021,49 4.136,50 4.973,51 5.177,52 4.02,53 4.178,54 5.998,55 4.093,56 0.026,57 0.903,58 13.301,59 6.526,60 8.47,61 7.954,62 0.4,63 1.48,64 25.516,65 10.521,66 36.149,67 13.188,68 0.419,69 1.757,70 33.689,71 13.963,72 52.424,73 17.405,74 0.609,75 1.875,76 39.219,77 14.915,78 69.448,79 19.329,80 0.403,81 1.736,82 34.848,83 13.793,84 55.853,85 17.781,86 0.507,87 1.758,88 37.2,89 14.229,90 66.56,91 18.655,92 0.501,93 1.657,94 34.004,95 12.889,96 57.367,97 16.492,98 0.403,99 1.571,100 32.189,101 12.507,102 52.994,103 16.023,104 20,105 59,106 0.226,107 0.543,108 0.739,109 0.868,110 0.894,111 0.903,112 3.692,113 0.897,114 -4.7,115 -4.62,116 -4.34,121 46.4,123 1,126 2,127 3,137 1,140 1,144 14,145 5,146 3,159 1,161 1,176 18,179 1,180 11,183 2,187 23,191 1,192 9,200 18,205 2,206 11,211 2,214 14,218 1,219 7,224 2,227 12,231 1,232 10,237 1,239 10,243 1,244 9,247 1,251 9,255 1,256 8,264 11,268 1,269 5,274 1,277 13,281 3383,282 26.626,283 26.626,284 26.626,285 26.626,286 26.626,287 23.521,288 27.381,289 15.871,290 27.147,291 21.22,292 21.22,293 21.22,294 21.22,295 21.22,296 16.353,297 35.595,298 7.564,299 21.993,300 4.65,301 2.608,302 1.338,303 0.508,304 0.341,305 0.283,306 4.399,312 1,313 1578,314 4.359,317 100.853,318 512.191,321 182.135,322 202.917,325 2.91,326 34.553,329 0.75,330 0.67,331 0.67,332 0.7,333 0.5,334 0.83,335 1,336 0.73,337 84,338 722,339 4.533,340 3.728,341 6.694,342 4.169,343 3.189,344 4.346,345 2.186,346 10.796,347 3.127,348 4.4,349 3.66,350 6.184,351 3.918,352 2.919,353 4.122,354 0.916,355 9.233,356 2.917,357 4.105,358 2.988,359 5.681,360 3.723,361 2.761,362 3.688,363 0.86,364 7.996,365 2.661,366 3.921,367 2.94,368 5.663,369 3.482,370 2.52,371 3.4,372 0.86,373 7.644,374 2.427,375 3.672,376 2.923,377 5.316,378 3.379,379 2.448,380 3.029,381 0.366,382 6.822,383 2.261,384 3.644,385 2.64,386 5.289,387 3.253,388 2.272,389 2.885,390 0.172,391 6.801,392 2.221,393 3.378,394 2.602,395 5.081,396 3.114,397 2.16,398 2.517,400 5.807,401 2.042,402 3.263,403 2.378,404 4.862,405 2.836,406 1.869,407 2.497,409 5.59,410 1.791,411 3.118,412 2.167,413 4.744,414 2.756,415 1.785,416 2.427,418 4.934,419 1.721,420 3.08,421 2.004,422 4.584,423 2.623,424 1.677,425 2.184,427 4.81,428 1.618,429 3.04,430 1.618,431 4.411,432 2.618,433 1.618,434 2.165,436 4.356,437 1.57,438 2.881,439 1.615,440 3.634,441 2.399,442 1.403,443 2.056,445 3.009,446 1.396,447 2.663,448 1.432,449 3.594,450 2.316,451 1.361,452 1.733,454 2.936,455 1.292,456 2.513,457 1.366,458 3.545,459 2.17,460 1.181,461 1.459,463 2.599,464 1.165,465 2.379,466 1.275,467 3.48,468 1.896,469 0.882,470 1.269,472 2.171,473 0.884,474 18.467,475 0.474,476 0.865,477 0.022,478 52.75,479 1.353,480 28,481 0.718,482 24.75,483 0.635,484 31.608,485 0.81,486 40.933,487 0.593,488 43.852,489 1.124,490 10.823,491 0.278,492 8.156,493 0.209,494 0.09,496 0.319,501 0.766,502 1.202,503 0.755,504 1.067,505 0.596,506 0.933,507 0.885,508 0.894,509 0.868,510 0.903,511 0.565,512 0.872,513 1.081,514 1.068,515 1.009,516 1.071,517 0.82,518 1.038,519 1.063,520 0.94,521 0.998,522 0.947,523 1.03,524 0.96,525 1.038,526 1.059,527 1.034,528 1.067,529 1.041,530 1.055,531 0.999,532 0.987,533 0.962,534 0.974,535 0.898,536 0.966,537 1.176,538 0.932,539 1.078,540 0.97,541 1.058,542 1.001,543 1.131,544 1.069,545 1.066,546 1.07,547 1.043,548 1.063,549 8,550 0.224,551 3.333,552 2.889,553 1.711,554 1.132,555 0.793,556 0.543,557 0.429,558 0.202,559 30846,560 81594,561 2.11,562 43.5,564 27,567 1,570 2,572 1.786,573 2,574 4.143,575 -0.434,582 100.672,583 1.459,584 3.5,585 4.771,586 5.601,587 5.768,588 5.826,589 3.631,590 5.08,591 5.256,592 4.341,593 3216.96,594 9.222,595 60733,600 421.488,601 1.309,602 5.228,603 0.186,604 0.006,605 0.056,606 0.049,607 0.033,608 0.023,609 0.017,610 0.012,611 0.01,612 0.005,613 0.398,614 0.17,615 0.75,616 0.879,617 226.288,618 -0.02,619 -0.11,620 0.058,621 -0.055,622 -0.047,623 0.003,624 0.086,625 0.188,626 0.04,627 0.074,628 0.107,629 0.06,630 -0.031,631 -0.078,632 -0.059,633 -0.074,634 0.032,635 -0.072,636 -0.006,637 0.034,638 0.006,639 0.035,640 -0.017,641 0.025,642 -0.051,643 -0.077,644 -0.055,645 -0.079,646 -0.059,647 -0.07,648 0.003,649 -0.026,650 0.046,651 0.014,652 0.018,653 0.033,654 -0.09,655 0.059,656 -0.077,657 0.005,658 -0.092,659 -0.028,660 -0.069,661 -0.094,662 -0.073,663 -0.086,664 -0.057,665 -0.083,666 2.156,667 5.883,668 0.641,669 58.698,670 1.003,671 1.114,672 3.469,673 12.036,674 0.68,675 3.784,676 4.094,677 4.344,678 4.605,679 4.82,680 4.883,681 5.024,682 5.165,683 5.22,684 5.283,685 10.578,686 0.652,687 522.64,688 3.784,689 5.323,690 6.163,691 7.033,692 7.889,693 8.765,694 9.629,695 10.509,696 11.379,697 12.262,698 2.9,701 1,705 1,714 2,715 14,720 6,722 23,727 1,737 1,739 2,741 69,743 26,744 4,745 43,747 73,748 32,749 22,750 8,751 14,752 3,756 5,757 7,770 1,772 26,773 6,777 3,782 2,784 1,786 3,793 30,794 7,795 1,796 7,802 2,808 0.6,809 5,828 1,829 4,832 1,833 1,849 2,855 1,859 3,864 2,868 39,876 4,877 1,878 3,881 1,893 7.2,896 2,898 3,901 19.5,902 13.033,903 8.611,904 4.074,907 5.094,908 1.582,909 0.993,910 8.378,911 13.84,912 4.069,913 4.659,914 5.23,915 5.808,916 6.376,917 6.65,918 7.056,919 7.481,920 7.845,921 8.104,922 1,923 59,924 14.424,926 6.098,927 0.026,929 7.739,931 27.506,933 22.313,936 2.239,937 87.333,941 341.362,942 217.847,943 21.135,945 83.29,948 217.847,949 424.651,950 21.135,951 16.793,952 29.349,953 142.144,954 60.667,955 66.557,956 6.763,957 341.362,959 341.362,960 238.982,961 83.29,964 317.82,965 106.832,968 32.473,969 191.789,970 14.72,972 341.362,973 104.425,974 217.847,977 341.362,978 58.911,979 162.061,980 18.011,981 83.29,982 341.362,983 104.425,984 217.847,986 0.576,987 0.33,988 0.177,989 0.096,990 27,991 12,992 0.137,993 10,994 2,995 1.16,996 5.154,997 363.486,998 0.16,999 25,1000 206.131,1005 26.638,1006 12.266,1007 6.733,1008 2.26,1009 104.425,1010 26.991,1015 4.188,1017 18.011,1018 663.634,1019 57.5,1024 24.312,1026 1.783,1028 -0.309,1031 69.211,1032 76.856,1034 0.239,1035 0.573,1036 0.781,1037 0.917,1038 0.944,1039 0.954,1040 5.297,1041 1.869,1042 6.133,1043 5.807,1044 4.779,1045 5.347,1046 2.639,1047 6.909,1048 4.715,1049 6.496,1050 1.785,1051 7.666,1052 5.59,1053 4.29,1054 5.103,1055 1.847,1056 7.7,1057 4.204,1058 7.794,1059 1.677,1060 9.294,1061 4.934,1062 6.34,1063 7.532,1064 3.582,1065 10.794,1066 6.224,1067 9.126,1068 1.618,1069 10.978,1070 4.81,1071 6.661,1072 8.1,1073 3.603,1074 12.432,1075 6.53,1076 10.489,1077 1.403,1078 12.7,1079 4.356,1080 8.167,1081 10.006,1082 4.922,1083 15.037,1084 8.014,1085 11.874,1086 1.361,1087 14.449,1088 3.009,1089 8.887,1090 10.986,1091 5.291,1092 17.065,1093 8.725,1094 13.277,1095 1.181,1096 16.218,1097 2.936,1098 10.163,1099 12.654,1100 6.39,1101 19.499,1102 9.985,1103 3.189,1104 0.882,1105 18.005,1106 2.599,1107 11.088,1108 13.853,1109 6.93,1110 21.71,1111 10.9,1112 2.919,1113 10.796,1114 19.806,1115 2.171,1116 12.267,1117 15.406,1118 7.902,1119 24.088,1120 12.066,1121 2.761,1122 9.233,1123 21.62,1124 4.346,1125 13.295,1126 16.722,1127 8.539,1128 26.382,1129 13.083,1130 2.52,1131 7.996,1132 23.444,1133 4.122,1134 14.437,1135 18.218,1136 9.436,1137 28.746,1138 14.212,1139 2.448,1140 7.644,1141 25.278,1142 3.688,1143 15.517,1144 19.597,1145 10.13,1146 31.079,1147 15.279,1148 2.272,1149 6.822,1150 27.12,1151 3.4,1152 16.648,1153 21.067,1154 10.981,1155 33.442,1156 16.396,1157 2.16,1158 6.801,1159 28.968,1160 3.029,1161 17.755,1162 22.479,1163 11.71,1164 35.794,1165 17.489,1166 28779,1167 46972,1168 29.126,1169 46.943,1170 63.68,1171 66.165,1172 65.2,1173 63.166,1174 63.198,1175 83.472,1176 10.723,1177 177.632,1178 61.137,1179 5.468,1180 5.728,1181 6.381,1182 5.259,1183 5.189,1184 7.346,1185 3.889,1186 17.882,1187 5.127,1188 17.987,1189 1.481,1190 1.539,1191 1.516,1192 1.469,1193 1.47,1194 1.941,1195 0.249,1196 4.131,1197 1.422,1198 4.106,1199 4.122,1200 4.062,1201 4.062,1202 7.435,1203 4.058,1204 3.978,1205 3.991,1206 3.941,1207 3.894,1208 7.427,1209 3.904,1210 3.935,1211 3.957,1212 3.876,1213 3.853,1214 4.954,1215 3.854,1216 3.683,1217 3.742,1218 3.571,1219 3.522,1220 4.865,1221 3.524,1222 3.573,1223 3.606,1224 3.497,1225 3.472,1226 4.813,1227 3.468,1228 3.525,1229 3.584,1230 3.431,1231 3.232,1232 4.575,1233 3.266,1234 3.385,1235 3.436,1236 3.293,1237 3.208,1238 4.338,1239 3.233,1240 3.276,1241 3.325,1242 3.125,1243 3.107,1244 4.307,1245 3.102,1246 0.105,1247 0.087,1248 0.156,1249 0.097,1250 0.074,1251 4.533,1252 0.101,1253 3.728,1254 0.051,1255 6.694,1256 0.251,1257 4.169,1258 0.073,1259 3.189,1260 4.346,1261 2.186,1262 10.796,1263 3.127,1264 2.078,1265 2.06,1266 2.161,1267 2.128,1268 1.292,1269 2.14,1270 1.911,1271 1.885,1272 2.033,1273 2.026,1274 1.254,1275 2.029,1276 1.867,1277 1.855,1278 1.957,1279 1.966,1280 1.12,1281 1.961,1282 1.643,1283 1.593,1284 1.872,1285 1.845,1286 1.054,1287 1.854,1288 1.602,1289 1.568,1290 1.727,1291 1.732,1292 0.807,1293 1.719,1294 1.404,1295 1.336,1296 1.691,1297 1.716,1298 0.78,1299 1.714,1300 1.33,1301 1.292,1302 1.631,1303 1.573,1304 0.681,1305 1.595,1306 1.291,1307 1.23,1308 1.438,1309 1.458,1310 0.498,1311 1.451,1312 4.466,1314 5.778,1315 2.398,1316 7.274,1317 4.844,1318 8.858,1319 7.018,1320 10.488,1322 3.559,1328 2.872,1329 2.442,1330 17.058,1333 2.177,1340 44.992,1341 100.672,1342 241.524,1343 329.166,1344 386.469,1345 397.978,1346 401.978,1347 70.107,1348 8.746,1349 81.01,1350 81.01,1351 29,1352 12.799,1353 4.755,1354 3.954,1355 62.107,1356 251,1357 245,1358 0.116,1359 273.345,1360 485.75,1361 658.721,1362 105593,1364 27.192,1365 0.697,1366 0.564,1367 27.192,1368 21.977,1369 18.979,1370 0.441,1371 0.299,1372 12.675,1373 18.276,1374 12.336,1375 10.269,1376 18.979,1377 12.853,1378 16.95,1379 0.287,1380 0.16,1381 16.95,1382 9.431,1383 14.078,1384 0.185,1385 0.085,1386 14.078,1387 6.431,1388 11.666,1389 0.118,1390 0.045,1391 11.666,1392 4.487,1393 9.422,1394 0.077,1395 0.024,1396 9.422,1397 2.99,1398 0.194,1399 118.823,1400 0.185,1401 36.487,1402 0.291,1403 204,1404 614.656,1405 223.743,1406 586.025,1407 801.97,1408 550,1409 237,1410 590.442,1411 256.222,1412 596.484,1413 871.22,1414 560,1415 5.467}
{0 CHEMBL191416,1 1.528,2 18.707,3 4.619,4 21.336,5 155.102,6 7.502,7 0.409,8 4.413,9 4.509,10 3.977,11 3.877,12 5.563,13 3.885,14 4.944,15 5.104,16 4.303,17 4.219,18 6.069,19 4.221,20 5.09,21 5.235,22 4.4,23 4.362,24 6.245,25 4.341,26 5.23,27 5.418,28 4.376,29 4.402,30 6.319,31 4.355,32 5.255,33 5.44,34 4.298,35 4.416,36 6.303,37 4.352,38 5.286,39 5.5,40 4.235,41 4.411,42 6.292,43 4.311,44 5.244,45 5.482,46 4.205,47 4.325,48 6.243,49 4.232,50 5.121,51 5.331,52 4.159,53 4.235,54 6.169,55 4.168,56 0.11,57 0.993,58 15.245,59 7.17,60 11.229,61 8.644,62 0.745,63 1.524,64 30.723,65 10.923,66 52.315,67 13.588,68 0.807,69 1.74,70 34.685,71 13.553,72 59.874,73 16.688,74 0.933,75 1.94,76 42.266,77 15.231,78 77.493,79 19.692,80 0.929,81 1.971,82 43.554,83 15.58,84 78.631,85 19.756,86 1.034,87 2.029,88 45.838,89 16.514,90 86.225,91 22.174,92 1.056,93 1.921,94 45.344,95 15.54,96 90.773,97 21.472,98 0.793,99 1.703,100 38.887,101 13.644,102 72.298,103 18.083,104 68,105 60,106 0.235,107 0.544,108 0.762,109 0.835,110 0.844,111 0.861,112 3.741,113 0.888,114 -2.7,115 -2.72,116 -2.64,121 41.3,123 1,126 5,127 3,137 1,140 1,144 9,145 3,146 6,159 1,161 1,176 9,179 1,180 13,183 2,187 10,191 3,192 13,200 4,205 3,206 16,211 2,214 6,218 1,219 6,224 2,227 8,231 3,232 6,237 1,239 7,243 4,244 7,247 1,251 3,255 2,256 10,264 3,268 1,269 6,274 1,277 6,281 3818,282 27.875,283 27.875,284 27.875,285 27.875,286 27.875,287 25.312,288 37.532,289 16.403,290 28.905,291 21.48,292 21.48,293 21.48,294 21.48,295 21.48,296 17.173,297 46.924,298 7.492,299 22.782,300 4.701,301 2.694,302 1.281,303 0.811,304 0.747,305 0.637,306 4.433,312 1,313 1619,314 4.743,317 110.949,318 451.371,321 201.692,325 2.948,326 45.553,329 0.75,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.71,337 91,338 767,339 4.536,340 3.728,341 6.695,342 4.172,343 3.193,344 4.166,345 2.186,346 10.8,347 3.128,348 4.411,349 3.66,350 6.522,351 4.001,352 3.052,353 4.076,354 0.916,355 10.254,356 2.891,357 4.105,358 3.366,359 5.681,360 3.723,361 2.761,362 3.688,363 0.86,364 7.996,365 2.661,366 3.908,367 2.988,368 5.668,369 3.477,370 2.521,371 3.354,372 0.86,373 7.667,374 2.408,375 3.672,376 2.939,377 5.33,378 3.379,379 2.448,380 2.934,381 0.86,382 6.846,383 2.26,384 3.602,385 2.641,386 5.29,387 3.227,388 2.26,389 2.885,390 0.86,391 6.812,392 2.176,393 3.377,394 2.607,395 5.19,396 3.114,397 2.159,398 2.604,399 0.86,400 6.118,401 2.042,402 3.355,403 2.555,404 5.098,405 2.972,406 2.061,407 2.515,408 0.366,409 5.832,410 1.867,411 3.233,412 2.427,413 4.862,414 2.825,415 1.86,416 2.442,417 0.172,418 5.59,419 1.778,420 3.079,421 2.168,422 4.748,423 2.754,424 1.784,425 2.167,427 4.936,428 1.718,429 3.028,430 2.077,431 4.584,432 2.616,433 1.673,434 2.161,436 4.81,437 1.56,438 2.663,439 1.882,440 3.807,441 2.318,442 1.366,443 1.733,445 2.942,446 1.293,447 2.517,448 1.612,449 3.592,450 2.17,451 1.182,452 1.461,454 2.6,455 1.165,456 2.381,457 1.396,458 3.534,459 1.992,460 1.147,461 1.287,463 2.454,464 0.964,465 2.176,466 1.275,467 3.48,468 1.858,469 0.867,470 1.139,472 2.088,473 0.846,474 18.967,475 0.463,476 0.916,477 0.022,478 52.25,479 1.274,480 25.5,481 0.622,482 26.75,483 0.652,484 36.57,485 0.892,486 45.833,487 0.611,488 47.353,489 1.155,490 11.101,491 0.271,492 8.741,493 0.213,494 0.167,496 0.337,501 0.838,502 1.412,503 0.767,504 1.27,505 0.637,506 1.043,507 1.15,508 0.804,509 0.856,510 0.782,511 0.696,512 0.742,513 1.03,514 1.132,515 0.958,516 1.115,517 0.855,518 1.037,519 1.002,520 1.048,521 0.96,522 1.043,523 0.997,524 1,525 1.236,526 1.055,527 1.159,528 1.063,529 1.092,530 1.092,531 0.836,532 1.085,533 1.035,534 1.096,535 0.855,536 1.113,537 0.721,538 0.897,539 0.855,540 0.931,541 0.764,542 0.925,543 0.975,544 1.059,545 0.959,546 1.05,547 0.907,548 1.012,549 9,550 0.286,551 3.778,552 3.701,553 2.12,554 1.459,555 0.855,556 0.736,557 0.515,558 0.282,559 32371,560 95457,561 2.021,562 45.3,564 31,567 1,570 2,572 1.799,573 1.878,574 4.137,575 -0.376,582 114.608,583 1.528,584 3.535,585 4.948,586 5.418,587 5.482,588 5.592,589 3.616,590 5.065,591 5.328,592 4.362,593 3576.95,594 9.371,595 69760.3,600 467.161,601 1.455,602 5.28,603 0.205,604 0.008,605 0.063,606 0.058,607 0.035,608 0.026,609 0.017,610 0.015,611 0.011,612 0.007,613 0.442,614 0.33,615 0.63,616 1.155,617 240.863,618 -0.04,619 -0.225,620 0.065,621 -0.156,622 -0.045,623 -0.043,624 -0.056,625 0.287,626 0.104,627 0.218,628 0.064,629 0.209,630 0.025,631 -0.079,632 -0.021,633 -0.071,634 0.047,635 -0.059,636 0.002,637 -0.039,638 0.01,639 -0.038,640 0.003,641 -0.016,642 -0.18,643 -0.053,644 -0.184,645 -0.061,646 -0.134,647 -0.114,648 0.042,649 -0.109,650 -0.066,651 -0.093,652 -0.015,653 -0.105,654 0.135,655 0.065,656 0.136,657 0.046,658 0.09,659 0.084,660 -0.012,661 -0.082,662 0.025,663 -0.059,664 0.033,665 -0.018,666 2.167,667 5.964,668 0.512,669 63.204,670 1.013,671 1.124,672 1.47,673 2.162,674 0.651,675 3.807,676 4.111,677 4.369,678 4.625,679 4.804,680 4.875,681 5.004,682 5.118,683 5.159,684 5.247,685 10.788,686 0.629,687 562.67,688 3.807,689 5.342,690 6.184,691 7.057,692 7.916,693 8.796,694 9.663,695 10.547,696 11.42,697 12.307,698 2.7,701 1,705 1,715 9,720 9,722 18,727 1,737 1,739 5,741 75,743 21,744 3,745 44,747 78,748 31,749 18,750 9,751 9,752 3,756 4,757 5,770 1,772 22,773 9,777 3,782 2,784 1,786 3,793 34,794 10,795 1,796 10,802 2,808 0.75,809 8,828 1,829 3,832 1,849 2,855 1,859 3,864 5,868 41,876 4,877 1,878 6,881 1,893 10.7,896 2,898 6,901 21.833,902 15.117,903 9.389,904 4.15,907 3.928,908 1.462,909 0.942,910 10.654,911 12.436,912 4.043,913 4.6,914 5.146,915 5.687,916 6.199,917 6.452,918 6.789,919 7.122,920 7.393,921 7.744,922 1,923 64,924 15.142,926 6.244,927 0.026,929 7.829,931 28.47,933 22.194,936 2.329,937 95.5,941 388.446,942 213.699,943 21.135,945 116.289,948 213.699,949 504.736,950 21.135,951 49.442,952 29.349,953 94.762,954 60.667,955 110.141,956 6.763,957 388.446,959 388.446,960 234.834,961 116.289,964 364.904,965 139.831,968 32.473,969 187.641,970 14.72,972 388.446,973 137.424,974 213.699,977 388.446,978 69.495,979 147.329,980 18.011,981 116.289,982 388.446,983 137.424,984 213.699,986 0.569,987 0.341,988 0.186,989 0.098,990 25,991 13,992 0.167,993 13,994 1,995 1.095,996 5.123,997 383.837,998 0.095,999 21,1000 211.66,1005 30.401,1006 14.369,1007 7.801,1009 137.424,1010 16.128,1015 5.157,1017 18.011,1018 739.57,1019 56,1024 24.405,1026 1.642,1028 -0.524,1031 75.96,1032 84.315,1034 0.245,1035 0.567,1036 0.794,1037 0.87,1038 0.88,1039 0.898,1040 5.281,1041 2.061,1042 6.163,1043 6.118,1044 4.796,1045 5.288,1046 2.914,1047 6.959,1048 4.692,1049 6.475,1050 1.86,1051 7.714,1052 5.832,1053 4.369,1054 5.103,1055 1.847,1056 7.823,1057 4.239,1058 7.778,1059 1.784,1060 9.36,1061 5.59,1062 6.378,1063 7.436,1064 3.669,1065 10.91,1066 6.195,1067 9.115,1068 1.673,1069 11.062,1070 4.936,1071 6.758,1072 8.037,1073 3.603,1074 12.601,1075 6.546,1076 10.483,1077 1.366,1078 12.8,1079 4.81,1080 8.23,1081 9.869,1082 4.94,1083 15.214,1084 7.983,1085 11.872,1086 1.182,1087 14.565,1088 2.942,1089 8.997,1090 10.847,1091 5.291,1092 17.279,1093 8.721,1094 13.279,1095 1.147,1096 16.351,1097 2.6,1098 10.255,1099 12.465,1100 6.393,1101 19.728,1102 9.953,1103 3.193,1104 0.867,1105 18.153,1106 2.454,1107 11.213,1108 13.641,1109 6.93,1110 21.961,1111 10.882,1112 3.052,1113 10.8,1114 19.969,1115 2.088,1116 12.386,1117 15.156,1118 7.903,1119 24.351,1120 12.033,1121 2.761,1122 10.254,1123 21.796,1124 4.166,1125 13.438,1126 16.438,1127 8.539,1128 26.657,1129 13.057,1130 2.521,1131 7.996,1132 23.634,1133 4.076,1134 14.581,1135 17.901,1136 9.436,1137 29.028,1138 14.179,1139 2.448,1140 7.667,1141 25.481,1142 3.688,1143 15.676,1144 19.241,1145 10.13,1146 31.365,1147 15.249,1148 2.26,1149 6.846,1150 27.334,1151 3.354,1152 16.812,1153 20.678,1154 10.981,1155 33.73,1156 16.363,1157 2.159,1158 6.812,1159 29.194,1160 2.934,1161 17.929,1162 22.05,1163 11.71,1164 36.082,1165 17.457,1166 31321,1167 53985,1168 28.838,1169 48.83,1170 64.047,1171 67.365,1172 67.794,1173 63.599,1174 63.8,1175 80.652,1176 15.883,1177 180.814,1178 60.271,1179 5.471,1180 5.728,1181 6.38,1182 5.262,1183 5.193,1184 7.166,1185 3.889,1186 17.888,1187 5.128,1188 24.69,1189 1.456,1190 1.531,1191 1.541,1192 1.445,1193 1.45,1194 1.833,1195 0.361,1196 4.109,1197 1.37,1198 4.042,1199 4.048,1200 4.009,1201 3.948,1202 7.435,1203 3.96,1204 3.936,1205 3.962,1206 3.876,1207 3.854,1208 7.427,1209 3.854,1210 3.9,1211 3.906,1212 3.865,1213 3.812,1214 4.997,1215 3.822,1216 3.68,1217 3.74,1218 3.559,1219 3.495,1220 4.893,1221 3.498,1222 3.535,1223 3.592,1224 3.459,1225 3.335,1226 4.813,1227 3.355,1228 3.482,1229 3.506,1230 3.405,1231 3.215,1232 4.58,1233 3.259,1234 3.324,1235 3.395,1236 3.169,1237 3.119,1238 4.578,1239 3.119,1240 3.303,1241 3.355,1242 3.144,1243 3.006,1244 4.46,1245 3.026,1246 0.103,1247 0.085,1248 0.152,1249 0.095,1250 0.073,1251 4.536,1252 0.095,1253 3.728,1254 0.05,1255 6.695,1256 0.245,1257 4.172,1258 0.071,1259 3.193,1260 4.166,1261 2.186,1262 10.8,1263 3.128,1264 1.911,1265 1.895,1266 2.033,1267 2.026,1268 1.254,1269 2.029,1270 1.903,1271 1.885,1272 1.975,1273 2.008,1274 1.121,1275 1.994,1276 1.863,1277 1.851,1278 1.953,1279 1.965,1280 1.108,1281 1.96,1282 1.642,1283 1.576,1284 1.871,1285 1.844,1286 1.05,1287 1.853,1288 1.443,1289 1.44,1290 1.691,1291 1.731,1292 0.781,1293 1.717,1294 1.404,1295 1.335,1296 1.632,1297 1.645,1298 0.681,1299 1.623,1300 1.316,1301 1.238,1302 1.602,1303 1.569,1304 0.627,1305 1.59,1306 1.227,1307 1.163,1308 1.59,1309 1.558,1310 0.584,1311 1.565,1312 4.489,1314 5.796,1315 2.398,1316 7.292,1317 4.844,1318 8.879,1319 7.018,1320 10.515,1322 8.135,1328 2.766,1329 2.435,1330 33.195,1333 2.16,1340 47.19,1341 114.608,1342 265.106,1343 371.083,1344 406.367,1345 411.122,1346 419.387,1347 92.51,1348 8.508,1349 108.7,1350 108.7,1351 23,1352 12.841,1353 4.459,1354 3.7,1355 76.869,1356 270,1357 271,1358 0.136,1359 288.989,1360 523.36,1361 696.894,1362 76168,1364 29.355,1365 0.716,1366 0.581,1367 29.355,1368 23.815,1369 19.842,1370 0.451,1371 0.296,1372 12.726,1373 18.684,1374 12.289,1375 10.302,1376 19.842,1377 13.029,1378 17.213,1379 0.287,1380 0.155,1381 17.213,1382 9.283,1383 14.433,1384 0.185,1385 0.081,1386 14.433,1387 6.345,1388 11.966,1389 0.118,1390 0.043,1391 11.966,1392 4.374,1393 9.34,1394 0.077,1395 0.023,1396 9.34,1397 2.839,1398 0.225,1399 127.346,1400 0.186,1401 37.802,1402 0.341,1403 208,1404 731.862,1405 236.379,1406 672.463,1407 905.5,1408 632,1409 242,1410 650.078,1411 270.745,1412 653.275,1413 951.64,1414 606,1415 5.524}
{0 CHEMBL1914495,1 1.489,2 7.273,3 4.784,4 22.888,5 94.854,6 8.403,7 0.458,8 3.837,9 3.958,10 3.519,11 3.434,12 4.83,13 3.375,14 4.398,15 4.575,16 3.828,17 3.833,18 5.302,19 3.744,20 4.649,21 4.868,22 4.052,23 3.989,24 5.546,25 3.887,26 4.686,27 4.909,28 3.997,29 4.02,30 5.569,31 3.89,32 4.694,33 4.92,34 3.992,35 4.043,36 5.526,37 3.901,38 4.716,39 4.929,40 4.143,41 4.083,42 5.555,43 3.921,44 4.804,45 5.058,46 4.14,47 4.009,48 5.637,49 3.791,50 4.611,51 4.899,52 3.674,53 3.643,54 5.377,55 3.362,56 0.033,57 0.585,58 8.248,59 4.179,60 7.518,61 5.598,62 0.134,63 0.969,64 23.385,65 7.579,66 15.558,67 9.885,68 0.211,69 1.245,70 29.002,71 9.074,72 23.679,73 12.453,74 0.233,75 1.29,76 32.167,77 9.812,78 26.603,79 13.161,80 0.28,81 1.262,82 32.833,83 10.443,84 23.906,85 14.037,86 0.138,87 1.275,88 28.678,89 11.08,90 19.403,91 14.654,92 0.294,93 1.285,94 47.706,95 12.367,96 33.76,97 15.746,98 0.349,99 0.95,100 50.911,101 11.018,102 35.446,103 13.332,104 21,105 33,106 0.262,107 0.637,108 0.825,109 0.869,110 0.886,111 0.886,112 3.148,113 1.104,114 -4.38,115 -4.32,116 -4.07,117 1,121 41.9,123 4,126 1,127 1,129 1,136 1,137 1,144 3,145 2,146 2,148 2,176 7,180 6,185 3,187 7,192 6,197 4,200 7,206 1,209 1,211 3,214 8,218 1,219 1,222 1,224 2,227 13,232 2,239 11,244 5,251 9,256 3,264 4,281 652,282 15.334,283 15.334,284 15.334,285 15.334,286 15.334,287 13.997,288 17.314,289 8.996,290 15.704,291 11.668,292 11.668,293 11.668,294 11.668,295 11.668,296 9.413,297 18.609,298 4.034,299 12.246,300 3.937,301 1.804,302 0.733,303 0.483,304 0.39,305 0.39,306 3.831,311 1,312 1,313 336,314 3.162,318 126.063,322 143.301,325 1.025,326 13.51,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 45.75,338 160,339 4.658,340 3.389,341 6.844,342 4.225,343 3.246,344 4.586,345 0.86,346 11.418,347 3.177,348 4,349 2.879,350 6.013,351 3.611,352 2.634,353 3.534,354 0.657,355 8.529,356 2.576,357 3.623,358 2.86,359 5.493,360 3.403,361 2.459,362 2.943,364 7.2,365 2.305,366 3.528,367 2.476,368 5.221,369 3.121,370 2.179,371 2.861,373 6.478,374 2.042,375 3.338,376 2.238,377 5.135,378 2.988,379 2.029,380 2.459,382 6.066,383 1.937,384 2.6,385 1.66,386 4.136,387 2.419,388 1.428,389 1.633,391 3.384,392 1.414,393 2.503,394 1.512,395 3.785,396 2.253,397 1.256,398 1.502,400 3.083,401 1.251,402 2.211,403 1.402,404 3.558,405 1.826,406 0.857,407 0.987,409 2.165,410 0.826,411 1.978,412 1.101,413 3.075,414 1.492,415 0.618,416 0.793,418 1.084,419 0.521,420 1.766,421 1.025,422 2.773,423 1.422,424 0.592,425 0.668,427 0.791,428 0.41,429 1.396,430 0.444,431 2.633,432 1.06,433 0.204,434 0.241,436 0.357,437 0.153,438 1.116,439 0.112,440 2.618,441 0.651,442 -0.174,443 -0.218,445 -0.3,446 -0.127,447 0.924,448 -0.262,449 2.507,450 0.563,451 -0.401,452 -0.497,454 -0.928,455 -0.384,456 0.597,457 -0.527,458 2.145,459 0.15,460 -0.778,461 -0.889,463 -1.889,464 -0.684,465 0.346,466 -0.63,467 2,468 0.129,469 -0.836,470 -1.078,472 -2.274,473 -0.817,474 11.467,475 0.521,476 0.41,477 0.019,478 25.5,479 1.159,480 12,481 0.545,482 13.5,483 0.614,484 21.774,485 0.99,486 23.333,487 0.543,488 15.085,489 0.686,490 4.196,491 0.191,492 6.566,493 0.298,494 0.203,496 0.305,501 0.844,502 1.231,503 0.511,504 0.9,505 0.91,506 0.938,507 1.19,508 1.176,509 0.867,510 0.981,511 0.942,512 0.959,513 1.004,514 1.126,515 0.654,516 0.864,517 0.864,518 0.883,519 1.032,520 1.037,521 0.856,522 0.943,523 1.114,524 0.998,525 0.704,526 0.933,527 0.826,528 0.923,529 0.763,530 0.976,531 0.792,532 1.185,533 0.752,534 1.036,535 0.838,536 1.132,537 1.205,538 1.03,539 1.309,540 1.152,541 1.248,542 1.139,543 1.484,544 0.866,545 1.601,546 1.209,547 1.368,548 1.094,549 4,551 2.222,552 1.375,553 1.591,554 0.778,555 0.588,556 0.366,557 0.164,558 0.016,559 4152,560 10560,561 2.07,562 48.8,563 6,564 12,567 1,568 2,572 1.656,573 1.941,574 2.88,575 -0.354,582 64.032,583 1.489,584 3.622,585 4.693,586 4.944,587 5.037,588 5.037,589 2.231,590 3.971,591 4.429,592 2.994,593 691.702,594 7.666,595 7474.48,597 1,600 233.329,601 1.395,602 4.392,603 0.167,605 0.067,606 0.037,607 0.047,608 0.023,609 0.018,610 0.016,611 0.015,612 0.005,613 0.395,614 0.5,615 1,616 1.392,617 98.188,618 -0.006,619 -0.08,620 0.006,621 -0.019,622 -0.027,623 0.013,624 -0.096,625 -0.107,626 -0.071,627 -0.046,628 -0.014,629 -0.004,630 -0.012,631 -0.053,632 0.02,633 0.014,634 0.076,635 0.05,636 -0.089,637 0.044,638 -0.051,639 -0.034,640 -0.136,641 -0.058,642 0.108,643 0.102,644 -0.029,645 0.007,646 0.033,647 -0.011,648 -0.026,649 -0.18,650 0.025,651 -0.093,652 -0.021,653 -0.154,654 -0.082,655 -0.085,656 -0.025,657 -0.1,658 -0.1,659 -0.15,660 -0.067,661 -0.041,662 -0.072,663 -0.085,664 -0.073,665 -0.081,666 1.136,667 1.894,668 0.636,669 15.603,670 0.991,671 1.121,672 3.155,673 9.953,674 0.684,675 3.219,676 3.526,677 3.85,678 4.143,679 4.477,680 4.615,681 4.754,682 4.852,683 4.898,684 4.682,685 4.703,686 0.629,687 361.31,688 3.219,689 4.745,690 5.609,691 6.497,692 7.39,693 8.291,694 9.195,695 10.103,696 11.011,697 11.922,698 4.7,703 1,708 1,714 2,715 3,716 1,720 4,722 11,734 1,739 1,741 43,743 12,744 1,745 24,746 1,747 45,748 18,749 9,750 3,751 3,754 1,756 3,757 6,763 1,767 4,770 5,772 11,773 7,777 1,778 1,784 1,793 21,794 3,795 1,796 4,797 1,802 2,808 0.333,809 1,822 1,829 3,833 2,848 1,849 1,859 1,863 1,864 1,868 22,876 5,877 1,878 1,880 1,892 1,893 2.3,898 1,901 11.333,902 7.926,903 5.111,904 2.664,907 2.493,908 1.352,909 0.98,910 4.918,911 9.574,912 3.45,913 4.034,914 4.682,915 5.317,916 5.98,917 6.385,918 6.794,919 7.166,920 7.49,921 7.381,922 0.8,923 37,924 8.131,926 3.363,927 0.026,929 7.481,931 16.056,933 13.3,936 1.981,937 43.583,938 0.001,940 1,941 235.422,942 95.757,943 80.75,945 11,948 141.711,949 246.422,950 34.796,951 10.883,952 28.309,953 37.905,954 34.796,955 29.659,957 235.422,958 45.954,959 235.422,960 130.553,961 11,963 45.954,964 235.422,965 11,968 17.443,969 68.837,970 44.273,971 45.954,972 235.422,973 45.796,974 141.711,977 235.422,978 31.202,979 48.788,980 63.965,981 43.552,982 235.422,983 45.796,984 141.711,986 0.564,987 0.352,988 0.194,989 0.117,990 16,991 7,992 0.089,993 4,994 2,995 1.286,996 3.291,997 178.769,998 0.286,999 14,1000 98.107,1005 15.666,1006 6.907,1007 3.127,1008 2.161,1009 45.796,1010 6.1,1011 4.878,1015 4.661,1017 18.011,1018 422.929,1019 30.5,1020 3.921,1026 1.941,1031 42.596,1032 48.2,1034 0.274,1035 0.668,1036 0.865,1037 0.911,1038 0.928,1039 0.928,1040 4.68,1041 0.857,1042 5.587,1043 3.083,1044 4.205,1045 4.718,1046 1.207,1047 6.425,1048 4.123,1049 5.872,1050 0.618,1051 7.159,1052 2.165,1053 3.761,1054 4.62,1056 7.391,1057 3.674,1058 7.186,1059 0.592,1060 8.832,1061 1.084,1062 5.814,1063 6.985,1064 0.903,1065 10.519,1066 5.679,1067 8.542,1068 0.204,1069 10.566,1070 0.791,1071 6.217,1072 7.757,1074 12.32,1075 6.065,1076 9.936,1077 -0.174,1078 12.339,1079 0.357,1080 7.714,1081 9.603,1082 0.678,1083 14.986,1084 7.538,1085 11.355,1086 -0.401,1087 14.14,1088 -0.3,1089 8.517,1090 10.774,1092 17.147,1093 8.325,1094 12.796,1095 -0.778,1096 15.962,1097 -0.928,1098 9.798,1099 12.422,1100 0.512,1101 19.66,1102 9.589,1103 3.246,1104 -0.836,1105 17.801,1106 -1.889,1107 10.797,1108 13.783,1110 21.978,1111 10.57,1112 2.634,1113 11.418,1114 19.652,1115 -2.274,1116 11.997,1117 15.353,1118 0.387,1119 24.439,1120 11.755,1121 2.459,1122 8.529,1123 21.514,1124 4.586,1125 13.088,1126 16.802,1128 26.823,1129 12.828,1130 2.179,1131 7.2,1132 23.386,1133 3.534,1134 14.263,1135 18.341,1136 0.293,1137 29.266,1138 13.986,1139 2.029,1140 6.478,1141 25.265,1142 2.943,1143 15.397,1144 19.83,1146 31.678,1147 15.101,1148 1.428,1149 6.066,1150 27.151,1151 2.861,1152 16.566,1153 21.358,1154 0.221,1155 34.115,1156 16.252,1157 1.256,1158 3.384,1159 29.043,1160 2.459,1161 17.721,1162 22.864,1164 36.54,1165 17.387,1166 4176,1167 6724,1168 16.008,1169 29.432,1170 35.244,1171 36.436,1172 37.068,1173 35.016,1174 35.003,1175 44.417,1176 3.035,1177 101.111,1178 33.225,1179 5.604,1180 5.389,1181 6.525,1182 5.267,1183 5.246,1184 7.586,1185 1.72,1186 18.952,1187 5.177,1188 10.17,1189 1.468,1190 1.518,1191 1.544,1192 1.459,1193 1.458,1194 1.851,1195 0.126,1196 4.213,1197 1.384,1198 4.117,1199 4.144,1200 6.88,1201 4.042,1202 5.002,1203 4.048,1204 3.745,1205 3.786,1206 4.079,1207 3.653,1208 4.725,1209 3.644,1210 3.678,1211 3.735,1212 3.642,1213 3.582,1214 4.64,1215 3.554,1216 3.345,1217 3.395,1218 3.484,1219 3.169,1220 4.214,1221 3.17,1222 3.183,1223 3.255,1224 3.215,1225 3.027,1226 4.136,1227 3.003,1228 3.084,1229 3.167,1230 3.045,1231 2.992,1232 3.883,1233 2.931,1234 3.078,1235 3.154,1236 2.874,1237 2.874,1238 3.823,1239 2.859,1240 2.878,1241 2.957,1242 2.711,1243 2.727,1244 3.493,1245 2.708,1246 0.194,1247 0.141,1248 0.285,1249 0.176,1250 0.135,1251 4.658,1252 0.191,1253 3.389,1254 0.036,1255 6.844,1256 0.476,1257 4.225,1258 0.132,1259 3.246,1260 4.586,1261 0.86,1262 11.418,1263 3.177,1264 2.07,1265 2.047,1266 2.15,1267 2.163,1268 1.435,1269 2.16,1270 1.752,1271 1.711,1272 1.937,1273 1.88,1274 1.164,1275 1.902,1276 1.668,1277 1.616,1278 1.843,1279 1.819,1280 1.061,1281 1.842,1282 1.293,1283 1.245,1284 1.582,1285 1.55,1286 0.754,1287 1.559,1288 1.176,1289 1.105,1290 1.471,1291 1.388,1292 0.626,1293 1.421,1294 1.099,1295 1.026,1296 1.413,1297 1.318,1298 0.546,1299 1.363,1300 1.088,1301 1.005,1302 1.341,1303 1.274,1304 0.374,1305 1.324,1306 0.888,1307 0.819,1308 1.144,1309 1.084,1310 0.256,1311 1.111,1312 3.892,1314 5.198,1316 6.735,1318 8.38,1320 10.086,1321 3.548,1322 1.7,1328 5.443,1329 3.64,1330 5.394,1332 0.197,1340 27.051,1341 64.032,1342 155.762,1343 201.82,1344 212.574,1345 216.574,1346 216.574,1347 30.138,1348 7.081,1349 34.15,1350 34.15,1351 18,1352 12.438,1353 3.7,1354 2.907,1355 34.016,1356 59,1357 66,1358 0.283,1359 173.187,1360 295.31,1361 414.336,1362 9862,1363 2.3,1364 15.527,1365 0.706,1366 0.657,1367 16.527,1368 14.449,1369 10.762,1370 0.448,1371 0.368,1372 7.704,1373 9.942,1374 7.413,1375 6.145,1376 11.469,1377 8.832,1378 9.037,1379 0.274,1380 0.191,1381 9.446,1382 6.291,1383 8.168,1384 0.178,1385 0.108,1386 8.745,1387 4.947,1388 6.702,1389 0.108,1390 0.056,1391 7.158,1392 3.467,1393 5.845,1394 0.067,1395 0.029,1396 6.038,1397 2.507,1398 0.418,1399 76.756,1400 0.25,1401 20.972,1402 0.864,1403 114,1404 280.368,1405 175.551,1406 307.994,1407 419.13,1408 292,1409 136,1410 286.201,1411 166.873,1412 299.687,1413 442.06,1414 282,1415 4.05}
{0 CHEMBL191461,1 1.442,2 22.022,3 7.238,4 52.389,5 176.375,6 6.931,7 0.375,8 4.557,9 4.668,10 4.052,11 4.046,12 5.627,13 4.023,14 5.114,15 5.295,16 4.36,17 4.413,18 6.137,19 4.367,20 5.304,21 5.491,22 4.456,23 4.566,24 6.311,25 4.494,26 5.438,27 5.659,28 4.433,29 4.596,30 6.414,31 4.505,32 5.452,33 5.669,34 4.362,35 4.607,36 6.4,37 4.501,38 5.469,39 5.711,40 4.296,41 4.613,42 6.352,43 4.472,44 5.47,45 5.733,46 4.259,47 4.547,48 6.345,49 4.407,50 5.351,51 5.598,52 4.219,53 4.476,54 6.255,55 4.346,56 0.013,57 1.176,58 19.88,59 8.829,60 12.809,61 11.421,62 0.603,63 1.847,64 38.014,65 13.906,66 53.041,67 18.571,68 0.534,69 2.184,70 45.698,71 17.723,72 55.715,73 23.695,74 0.635,75 2.396,76 53.733,77 19.368,78 84.259,79 26.527,80 0.768,81 2.42,82 54.832,83 19.485,84 83.206,85 26.457,86 0.575,87 2.487,88 55.135,89 20.686,90 77.154,91 29.039,92 0.89,93 2.397,94 56.758,95 20.061,96 92.883,97 28.41,98 0.543,99 2.182,100 49.258,101 18.2,102 70.765,103 25.623,104 68,105 64,106 0.215,107 0.51,108 0.738,109 0.828,110 0.856,111 0.87,112 3.831,113 0.958,114 -4.35,115 -4.28,116 -4.04,121 40.4,123 6,126 5,127 3,137 1,138 1,144 9,145 4,146 5,159 1,161 1,176 18,179 1,180 11,183 2,187 20,191 2,192 16,200 14,205 1,206 16,211 2,214 12,218 1,219 11,224 2,227 14,231 1,232 7,237 1,239 15,243 3,244 7,247 1,251 14,255 2,256 10,264 13,269 7,274 1,277 11,281 5216,282 30.703,283 30.703,284 30.703,285 30.703,286 30.703,287 28.141,288 38.22,289 18.403,290 31.628,291 23.48,292 23.48,293 23.48,294 23.48,295 23.48,296 19.173,297 47.187,298 8.492,299 24.588,300 5.034,301 3.058,302 1.529,303 0.925,304 0.742,305 0.649,306 4.524,312 1,313 2091,314 5.148,317 129.766,318 521.988,321 234.956,325 3.356,326 42.114,329 0.75,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.71,337 98,338 991,339 4.536,340 3.704,341 6.695,342 4.202,343 3.193,344 4.166,345 2.186,346 10.8,347 3.224,348 4.411,349 3.66,350 6.522,351 4.002,352 3.052,353 4.076,354 0.916,355 10.254,356 2.893,357 4.105,358 3.366,359 5.681,360 3.723,361 2.761,362 3.688,363 0.86,364 7.996,365 2.661,366 3.908,367 2.984,368 5.668,369 3.485,370 2.519,371 3.354,372 0.86,373 7.667,374 2.434,375 3.672,376 2.931,377 5.33,378 3.38,379 2.451,380 2.934,381 0.86,382 6.843,383 2.261,384 3.602,385 2.632,386 5.29,387 3.228,388 2.26,389 2.886,390 0.86,391 6.815,392 2.177,393 3.378,394 2.562,395 5.19,396 3.123,397 2.167,398 2.604,399 0.68,400 6.118,401 2.055,402 3.355,403 2.555,404 5.098,405 2.972,406 2.061,407 2.515,408 0.366,409 5.831,410 1.867,411 3.234,412 2.418,413 4.862,414 2.879,415 1.893,416 2.442,417 0.172,418 5.594,419 1.856,420 3.09,421 2.172,422 4.748,423 2.808,424 1.824,425 2.175,427 4.935,428 1.786,429 3.028,430 2.056,431 4.585,432 2.713,433 1.737,434 2.162,436 4.814,437 1.686,438 2.824,439 1.887,440 3.858,441 2.681,442 1.673,443 1.833,445 3.679,446 1.683,447 2.658,448 1.825,449 3.806,450 2.358,451 1.385,452 1.725,454 2.895,455 1.342,456 2.505,457 1.542,458 3.564,459 2.179,460 1.187,461 1.445,463 2.606,464 1.175,465 2.392,466 1.377,467 3.514,468 1.999,469 1.149,470 1.306,472 2.462,473 0.973,474 21.133,475 0.47,476 0.916,477 0.02,478 53.25,479 1.183,480 25,481 0.556,482 28.25,483 0.628,484 45.896,485 1.02,486 50.867,487 0.572,488 46.831,489 1.041,490 10.83,491 0.241,492 11.011,493 0.245,494 0.15,496 0.303,501 0.809,502 1.389,503 0.848,504 1.266,505 0.613,506 1.092,507 1.089,508 0.865,509 0.927,510 0.862,511 0.656,512 0.856,513 0.915,514 1.133,515 0.956,516 1.126,517 0.798,518 1.061,519 1.024,520 1.047,521 0.964,522 1.03,523 1.073,524 0.993,525 1.228,526 1.006,527 1.14,528 1.015,529 1.036,530 1.057,531 0.743,532 1.1,533 1.006,534 1.121,535 0.777,536 1.112,537 0.774,538 0.867,539 0.905,540 0.912,541 0.761,542 0.929,543 0.708,544 1.056,545 0.914,546 1.074,547 0.746,548 1.038,549 9,550 0.258,551 3.778,552 3.701,553 2.12,554 1.514,555 0.814,556 0.767,557 0.478,558 0.287,559 45815,560 121401,561 2.019,562 49.4,563 8,564 31,567 1,569 4,572 1.818,573 1.888,574 4.355,575 -0.429,582 128.356,583 1.442,584 3.417,585 4.947,586 5.551,587 5.734,588 5.827,589 3.817,590 5.314,591 5.464,592 4.601,593 4554.98,594 9.623,595 101308,600 576.34,601 1.406,602 5.42,603 0.188,604 0.007,605 0.059,606 0.054,607 0.033,608 0.025,609 0.015,610 0.014,611 0.009,612 0.006,613 0.41,614 0.17,615 0.75,616 1.094,617 275.825,618 -0.011,619 -0.17,620 0.061,621 -0.11,622 -0.008,623 -0.027,624 -0.007,625 0.239,626 0.059,627 0.169,628 0.088,629 0.136,630 0.05,631 -0.08,632 0.008,633 -0.07,634 0.051,635 -0.042,636 -0.026,637 -0.043,638 0.02,639 -0.023,640 -0.001,641 0.003,642 -0.15,643 0.001,644 -0.146,645 -0.014,646 -0.092,647 -0.071,648 0.013,649 -0.107,650 -0.055,651 -0.107,652 0.004,653 -0.095,654 0.084,655 0.088,656 0.073,657 0.064,658 0.059,659 0.066,660 0.077,661 -0.075,662 0.045,663 -0.07,664 0.091,665 -0.026,666 2.133,667 6.105,668 0.467,669 79.283,670 1.001,671 1.126,672 3.118,673 9.72,674 0.642,675 3.892,676 4.174,677 4.419,678 4.663,679 4.836,680 4.905,681 5.024,682 5.136,683 5.165,684 5.236,685 12.743,686 0.608,687 616.82,688 3.892,689 5.416,690 6.248,691 7.111,692 7.962,693 8.834,694 9.695,695 10.573,696 11.442,697 12.325,698 2.2,701 1,705 1,715 9,720 9,722 18,727 1,737 1,739 4,741 89,743 21,744 3,745 48,747 92,748 36,749 18,750 9,751 9,752 3,756 4,757 5,767 1,770 6,772 22,773 14,777 3,782 2,784 1,786 3,793 44,794 9,795 1,796 9,802 2,808 0.75,809 7,828 1,829 3,832 1,849 1,850 1,855 1,859 3,864 5,868 45,876 9,877 1,878 5,881 1,893 7.9,896 2,898 5,901 23.833,902 17.45,903 10.389,904 5.317,907 3.848,908 1.446,909 0.941,910 13.169,911 12.476,912 4.111,913 4.64,914 5.169,915 5.701,916 6.207,917 6.458,918 6.791,919 7.123,920 7.388,921 7.732,922 1,923 68,924 16.666,926 6.805,927 0.026,929 7.711,931 32.018,933 25.297,936 2.211,937 99.5,941 506.157,942 222.256,943 21.135,945 105.289,948 222.256,949 611.447,950 21.135,951 49.442,952 42.022,953 94.762,954 55.423,955 100.269,956 6.763,957 506.157,959 506.157,960 243.391,961 105.289,964 459.073,965 152.374,968 45.146,969 188.769,970 9.476,972 506.157,973 126.424,974 222.256,977 506.157,978 78.052,979 147.329,980 18.011,981 105.289,982 506.157,983 126.424,984 222.256,986 0.563,987 0.333,988 0.18,989 0.095,990 25,991 13,992 0.185,993 17,994 1,995 1.095,996 5.578,997 419.175,998 0.095,999 21,1000 239.133,1005 34.356,1006 17.25,1007 9.732,1009 126.424,1010 17.036,1015 6.56,1017 18.011,1018 854.838,1019 60,1024 24.546,1026 1.882,1028 0.274,1031 89.05,1032 100.182,1034 0.223,1035 0.528,1036 0.764,1037 0.857,1038 0.885,1039 0.9,1040 5.34,1041 2.061,1042 6.213,1043 6.118,1044 4.86,1045 5.328,1046 2.884,1047 6.989,1048 4.782,1049 6.517,1050 1.893,1051 7.749,1052 5.831,1053 4.369,1054 5.103,1055 1.847,1056 7.823,1057 4.273,1058 7.809,1059 1.824,1060 9.384,1061 5.594,1062 6.418,1063 7.451,1064 3.652,1065 10.917,1066 6.287,1067 9.137,1068 1.737,1069 11.077,1070 4.935,1071 6.758,1072 8.037,1073 3.603,1074 12.601,1075 6.614,1076 10.498,1077 1.673,1078 12.81,1079 4.814,1080 8.251,1081 9.873,1082 4.935,1083 15.215,1084 8.088,1085 11.883,1086 1.385,1087 14.572,1088 3.679,1089 8.997,1090 10.847,1091 5.291,1092 17.279,1093 8.831,1094 13.286,1095 1.187,1096 16.355,1097 2.895,1098 10.264,1099 12.466,1100 6.392,1101 19.728,1102 10.091,1103 3.193,1104 1.149,1105 18.155,1106 2.606,1107 11.213,1108 13.641,1109 6.93,1110 21.961,1111 11.043,1112 3.052,1113 10.8,1114 19.97,1115 2.462,1116 12.391,1117 15.156,1118 7.903,1119 24.351,1120 12.22,1121 2.761,1122 10.254,1123 21.797,1124 4.166,1125 13.438,1126 16.438,1127 8.539,1128 26.657,1129 13.275,1130 2.519,1131 7.996,1132 23.635,1133 4.076,1134 14.583,1135 17.901,1136 9.436,1137 29.028,1138 14.425,1139 2.451,1140 7.667,1141 25.481,1142 3.688,1143 15.676,1144 19.241,1145 10.13,1146 31.365,1147 15.529,1148 2.26,1149 6.843,1150 27.334,1151 3.354,1152 16.812,1153 20.678,1154 10.981,1155 33.73,1156 16.674,1157 2.167,1158 6.815,1159 29.194,1160 2.934,1161 17.929,1162 22.05,1163 11.71,1164 36.082,1165 17.803,1166 44217,1167 72221,1168 31.611,1169 57.182,1170 69.055,1171 72.343,1172 72.82,1173 68.709,1174 68.874,1175 85.723,1176 15.523,1177 190.947,1178 65.974,1179 5.5,1180 5.704,1181 6.586,1182 5.26,1183 5.193,1184 7.166,1185 3.889,1186 17.888,1187 5.224,1188 26.654,1189 1.439,1190 1.507,1191 1.517,1192 1.431,1193 1.435,1194 1.786,1195 0.323,1196 3.978,1197 1.374,1198 4.069,1199 4.083,1200 4.026,1201 4.003,1202 7.435,1203 4.006,1204 3.942,1205 3.972,1206 3.88,1207 3.859,1208 7.427,1209 3.859,1210 3.904,1211 3.911,1212 3.866,1213 3.819,1214 4.983,1215 3.828,1216 3.771,1217 3.83,1218 3.623,1219 3.644,1220 4.831,1221 3.628,1222 3.615,1223 3.677,1224 3.504,1225 3.434,1226 4.806,1227 3.44,1228 3.53,1229 3.586,1230 3.448,1231 3.368,1232 4.58,1233 3.368,1234 3.492,1235 3.531,1236 3.378,1237 3.216,1238 4.473,1239 3.258,1240 3.344,1241 3.419,1242 3.174,1243 3.152,1244 4.393,1245 3.147,1246 0.094,1247 0.077,1248 0.139,1249 0.088,1250 0.067,1251 4.536,1252 0.087,1253 3.704,1254 0.046,1255 6.695,1256 0.225,1257 4.202,1258 0.067,1259 3.193,1260 4.166,1261 2.186,1262 10.8,1263 3.224,1264 1.912,1265 1.9,1266 2.053,1267 2.028,1268 1.392,1269 2.035,1270 1.909,1271 1.885,1272 2.011,1273 2.011,1274 1.211,1275 2.001,1276 1.889,1277 1.874,1278 1.988,1279 1.985,1280 1.175,1281 1.989,1282 1.774,1283 1.714,1284 1.965,1285 1.923,1286 1.114,1287 1.944,1288 1.577,1289 1.535,1290 1.833,1291 1.795,1292 1.093,1293 1.807,1294 1.551,1295 1.506,1296 1.692,1297 1.726,1298 0.864,1299 1.716,1300 1.405,1301 1.337,1302 1.69,1303 1.701,1304 0.846,1305 1.695,1306 1.351,1307 1.27,1308 1.658,1309 1.589,1310 0.683,1311 1.617,1312 4.575,1314 5.866,1315 2.398,1316 7.345,1317 4.844,1318 8.917,1319 7.018,1320 10.542,1322 8.362,1328 8.516,1329 2.46,1330 27.578,1333 2.284,1340 54.109,1341 128.356,1342 304.152,1343 440.288,1344 494.037,1345 510.301,1346 518.566,1347 108.131,1348 8.628,1349 95.56,1350 95.56,1351 23,1352 12.862,1353 4.459,1354 3.7,1355 89.438,1356 352,1357 339,1358 0.119,1359 332.955,1360 601.07,1361 804.169,1362 97618,1364 32.183,1365 0.715,1366 0.599,1367 32.183,1368 26.942,1369 21.842,1370 0.455,1371 0.319,1372 15.053,1373 20.801,1374 14.535,1375 12.208,1376 21.842,1377 15.328,1378 18.627,1379 0.291,1380 0.173,1381 18.627,1382 11.094,1383 15.433,1384 0.188,1385 0.094,1386 15.433,1387 7.74,1388 12.673,1389 0.121,1390 0.052,1391 12.673,1392 5.449,1393 9.836,1394 0.079,1395 0.029,1396 9.836,1397 3.622,1398 0.202,1399 138.53,1400 0.178,1401 41.332,1402 0.29,1403 224,1404 704.127,1405 248.172,1406 655.052,1407 881.98,1408 616,1409 258,1410 626.805,1411 281.983,1412 636.444,1413 922.8,1414 590,1415 5.745}
{0 CHEMBL191513,1 1.402,2 9.7,3 3.087,4 9.531,5 74.999,6 7.95,7 0.571,8 3.615,9 3.693,10 3.226,11 3.18,12 4.86,13 3.177,14 4.086,15 4.212,16 3.518,17 3.485,18 5.299,19 3.481,20 4.221,21 4.339,22 3.631,23 3.581,24 5.664,25 3.571,26 4.276,27 4.422,28 3.464,29 3.517,30 5.636,31 3.477,32 4.254,33 4.462,34 3.284,35 3.384,36 5.525,37 3.32,38 3.997,39 4.187,40 3.175,41 3.199,42 5.308,43 3.144,44 3.786,45 3.935,46 3.08,47 3.099,48 5.146,49 3.042,50 3.84,51 4.033,52 2.847,53 2.933,54 5.073,55 2.874,56 0.045,57 0.398,58 5.808,59 3.303,60 5.063,61 3.692,62 0.226,63 0.617,64 11.551,65 5.096,66 22.11,67 5.646,68 0.287,69 0.705,70 12.85,71 5.832,72 44.939,73 6.556,74 0.285,75 0.738,76 14.551,77 6.118,78 36.087,79 6.876,80 0.331,81 0.72,82 16.313,83 6.084,84 58.839,85 7.455,86 0.39,87 0.555,88 12.248,89 4.691,90 51.072,91 5.861,92 0.26,93 0.459,94 8.581,95 3.878,96 23.953,97 4.811,98 0.226,99 0.466,100 10.556,101 3.897,102 38.953,103 4.611,104 21,105 28,106 0.258,107 0.528,108 0.572,109 0.615,110 0.615,111 0.615,112 3.057,113 0.861,114 -3.52,115 -3.5,116 -3.34,121 47.1,126 2,144 8,145 2,146 2,159 2,176 8,180 6,187 8,191 1,192 10,200 5,206 10,214 4,219 4,227 8,231 2,239 8,243 2,244 2,251 4,256 4,269 4,281 500,282 13.516,283 13.516,284 13.516,285 13.516,286 13.516,287 11.948,288 10.374,289 7.864,290 13.826,291 10.156,292 10.156,293 10.156,294 10.156,295 10.156,296 7.614,297 9.892,298 3.525,299 10.426,300 3.685,301 2.221,302 1.986,303 1.75,304 1.75,305 1.75,306 3.713,310 1,311 1,312 1,313 398,314 3.162,318 143.682,325 1.5,326 26.348,328 1,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 44,338 194,339 4.396,340 3.837,341 6.528,342 4.078,343 3.047,344 3.951,345 0.86,346 10.031,347 3.14,348 4.046,349 3.011,350 5.736,351 3.623,352 2.641,353 3.657,354 0.86,355 7.745,356 2.598,357 3.8,358 2.824,359 5.318,360 3.386,361 2.432,362 3.229,364 6.818,365 2.313,366 3.51,367 2.779,368 5.233,369 3.134,370 2.17,371 2.816,373 6.487,374 2.075,375 2.943,376 1.991,377 4.473,378 2.479,379 1.471,380 2.059,382 4.062,383 1.468,384 2.5,385 1.959,386 3.414,387 2,388 1,389 1.5,391 2.275,392 1,393 2.5,394 1.067,395 3.414,396 2,397 1,398 1.5,400 2.275,401 1,402 2.319,403 1.065,404 3.343,405 1.735,406 0.724,407 0.984,409 1.484,410 0.707,411 1.645,412 1,413 2.751,414 1.35,415 0.478,416 0.537,418 0.718,419 0.412,420 1.631,421 1,422 2.593,423 1.274,424 0.311,425 0.41,427 0.509,428 0.297,429 0.813,430 0.029,431 2.136,432 0.404,433 -0.561,434 -0.711,436 -1.068,437 -0.53,438 0.81,439 -0.128,440 2,441 0.398,442 -0.589,443 -0.802,445 -1.121,446 -0.571,447 0.5,448 -0.48,449 2,451 -1,452 -1.5,454 -3,455 -1,456 0.5,457 -0.992,458 1.559,460 -1,461 -1.5,463 -3,464 -1,465 0.21,466 -1,467 1.26,468 -0.218,469 -1.313,470 -1.735,472 -3.319,473 -1.346,474 9.333,475 0.467,476 0.435,477 0.022,478 28,479 1.4,480 16,481 0.8,482 12,483 0.6,484 11.408,485 0.57,486 21.267,487 0.625,488 20.432,489 1.022,490 6.054,491 0.303,492 3.597,493 0.18,494 0.179,496 0.321,501 0.694,502 1.115,503 0.705,504 1.09,505 0.568,506 0.938,507 1.133,508 0.836,509 0.84,510 0.814,511 0.741,512 0.765,513 0.965,514 1.097,515 0.905,516 1.08,517 0.777,518 0.998,519 1.226,520 1.203,521 1.181,522 1.199,523 1.423,524 1.183,525 1.101,526 0.917,527 0.979,528 0.911,529 1.662,530 0.914,531 0.734,532 0.824,533 0.832,534 0.832,535 1.127,536 0.852,537 0.422,538 1.204,539 0.894,540 1.222,541 0.573,542 1.186,543 1.276,544 1.063,545 1.134,546 1.056,547 1.568,548 1.059,549 4,550 0.058,551 2.667,552 1.25,553 1.164,554 0.708,555 0.323,556 0.236,557 0.131,558 0.04,559 3609,560 11621,561 1.966,562 41.2,564 14,572 1.615,573 1.818,574 3.258,575 -0.787,577 1,579 1,582 47.671,583 1.402,584 2.867,585 3.102,586 3.337,587 3.337,588 3.337,589 2.722,590 2.922,591 4.288,592 3.341,593 634.871,594 7.316,595 6511.09,596 1,597 1,598 1,599 1,600 172.974,601 1.485,602 4.237,603 0.19,604 0.01,605 0.095,606 0.042,607 0.049,608 0.035,609 0.018,610 0.015,611 0.011,612 0.004,613 0.469,614 0.67,615 1,616 1.013,617 89.314,618 -0.019,619 -0.09,620 0.04,621 -0.077,622 -0.058,623 -0.019,624 -0.155,625 0.163,626 0.048,627 0.172,628 -0.063,629 0.163,630 0.016,631 -0.104,632 -0.026,633 -0.102,634 0.206,635 -0.08,636 -0.181,637 -0.229,638 -0.25,639 -0.235,640 -0.133,641 -0.255,642 -0.113,643 0.041,644 0.045,645 0.053,646 -0.18,647 0.081,648 0.239,649 0.145,650 0.167,651 0.14,652 0.057,653 0.136,654 0.387,655 -0.223,656 -0.001,657 -0.239,658 0.23,659 -0.222,660 -0.167,661 -0.11,662 -0.105,663 -0.104,664 -0.205,665 -0.092,666 2.21,667 5.078,668 0.6,669 15.4,670 1.015,671 1.11,672 2.29,673 5.245,674 0.681,675 3.091,676 3.367,677 3.611,678 3.714,679 3.892,680 3.892,681 3.892,682 3.714,683 3.611,684 3.497,685 5.446,686 0.663,687 270.3,688 3.091,689 4.595,690 5.425,691 6.267,692 7.112,693 7.961,694 8.811,695 9.663,696 10.515,697 11.368,715 8,720 4,722 12,727 2,739 2,741 34,743 14,744 2,745 21,747 35,748 16,749 12,750 4,751 8,752 2,756 2,757 2,772 14,773 2,777 2,782 2,786 2,789 1,790 1,793 14,794 4,796 4,808 1,809 4,829 2,859 2,864 2,868 20,878 2,893 11.8,896 2,898 2,901 11,902 6.833,903 4.667,904 1.799,907 2.126,908 1.345,909 0.935,910 4.41,911 8.296,912 3.401,913 3.951,914 4.527,915 4.961,916 5.464,917 5.577,918 5.784,919 5.686,920 5.799,921 6.055,922 0.857,923 30,924 7.381,926 3.058,927 0.026,929 8.05,931 13.544,933 10.351,936 2.55,937 51,941 164.795,942 124.701,945 72.29,948 124.701,949 237.085,951 21.766,953 75.81,954 60.557,955 38.858,957 164.795,959 164.795,960 124.701,961 72.29,964 164.795,965 72.29,969 124.701,972 164.795,973 72.29,974 124.701,977 164.795,978 27.125,979 97.576,981 72.29,982 164.795,983 72.29,984 124.701,986 0.571,987 0.35,988 0.164,989 0.084,990 12,991 6,992 0.143,993 5,995 1,996 3.205,997 139.856,999 12,1000 58.439,1005 14.13,1006 6.242,1007 3.197,1009 72.29,1010 12.877,1015 1.954,1018 361.786,1019 29,1024 24.155,1028 -1.087,1031 34.494,1032 37.744,1034 0.276,1035 0.563,1036 0.61,1037 0.656,1038 0.656,1039 0.656,1040 4.595,1041 0.724,1042 5.398,1043 2.275,1044 4.043,1045 4.635,1046 1.376,1047 6.168,1048 4.017,1049 5.795,1050 0.478,1051 6.948,1052 1.484,1053 3.611,1054 4.369,1056 7.04,1057 3.611,1058 7.091,1059 0.311,1060 8.597,1061 0.718,1062 5.609,1063 6.791,1064 1.159,1065 10.071,1066 5.589,1067 8.425,1068 -0.561,1069 10.301,1070 0.509,1071 5.994,1072 7.312,1074 11.724,1075 6.019,1076 9.788,1077 -0.589,1078 12.042,1079 -1.068,1080 7.446,1081 9.194,1082 0.963,1083 14.297,1084 7.466,1085 11.171,1086 -1,1087 13.806,1088 -1.121,1089 8.192,1090 10.072,1092 16.281,1093 8.268,1094 12.568,1095 -1,1096 15.589,1097 -3,1098 9.428,1099 11.718,1100 0.787,1101 18.697,1102 9.514,1103 3.047,1104 -1.313,1105 17.385,1106 -3,1107 10.35,1108 12.787,1110 20.84,1111 10.492,1112 2.641,1113 10.031,1114 19.193,1115 -3.319,1116 11.497,1117 14.31,1118 0.634,1119 23.194,1120 11.663,1121 2.432,1122 7.745,1123 21.01,1124 3.951,1125 12.506,1126 15.49,1128 25.416,1129 12.724,1130 2.17,1131 6.818,1132 22.835,1133 3.657,1134 13.619,1135 16.944,1136 0.504,1137 27.743,1138 13.868,1139 1.471,1140 6.487,1141 24.667,1142 3.229,1143 14.674,1144 18.193,1146 30.006,1147 14.969,1148 1,1149 4.062,1150 26.505,1151 2.816,1152 15.776,1153 19.607,1154 0.395,1155 32.321,1156 16.106,1157 1,1158 2.275,1159 28.348,1160 2.059,1161 16.854,1162 20.899,1164 34.604,1165 17.226,1166 3705,1167 6736,1168 13.523,1169 23.148,1170 30.96,1171 33.218,1172 32.421,1173 30.501,1174 30.547,1175 41.284,1176 3.44,1177 84.805,1178 30.02,1179 5.222,1180 5.837,1181 6.079,1182 5.078,1183 5.047,1184 6.951,1185 1.72,1186 17.159,1187 5.14,1188 10.888,1189 1.474,1190 1.582,1191 1.544,1192 1.452,1193 1.455,1194 1.966,1195 0.164,1196 4.038,1197 1.43,1198 3.987,1199 3.998,1200 3.945,1201 3.909,1202 7.497,1203 3.914,1204 3.866,1205 3.885,1206 3.809,1207 3.796,1208 7.352,1209 3.795,1210 3.455,1211 3.453,1212 3.414,1213 3.246,1214 4.866,1215 3.285,1216 3.245,1217 3.307,1218 3.081,1219 2.97,1220 4.838,1221 2.984,1222 3.142,1223 3.205,1224 2.94,1225 2.87,1226 4.348,1227 2.869,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 4.326,1233 2.715,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 3.674,1239 2.715,1240 2.776,1241 2.809,1242 2.645,1243 2.62,1244 3.674,1245 2.611,1246 0.209,1247 0.183,1248 0.311,1249 0.194,1250 0.145,1251 4.396,1252 0.188,1253 3.837,1254 0.041,1255 6.528,1256 0.478,1257 4.078,1258 0.15,1259 3.047,1260 3.951,1261 0.86,1262 10.031,1263 3.14,1264 1.938,1265 1.925,1266 2.025,1267 2.033,1268 1.109,1269 2.028,1270 1.856,1271 1.836,1272 1.964,1273 1.951,1274 1.046,1275 1.955,1276 1.331,1277 1.328,1278 1.584,1279 1.597,1280 0.583,1281 1.578,1282 1.191,1283 1.121,1284 1.566,1285 1.503,1286 0.572,1287 1.524,1288 1.1,1289 1.027,1290 1.299,1291 1.371,1292 0.305,1293 1.359,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.746,1307 0.706,1308 0.94,1309 0.929,1310 0.058,1311 0.926,1312 3.761,1314 5.043,1316 6.538,1318 8.113,1320 9.727,1322 3.082,1330 10.019,1340 22.547,1341 47.671,1342 97.464,1343 105.464,1344 113.464,1345 113.464,1346 113.464,1347 41.907,1348 6.17,1349 52.6,1350 52.6,1351 12,1352 11.924,1353 3.907,1354 3.17,1355 36.554,1356 64,1357 68,1358 0.284,1359 142.027,1360 252.88,1361 338.306,1362 3117,1364 14.535,1365 0.727,1366 0.563,1367 14.535,1368 11.252,1369 9.651,1370 0.46,1371 0.287,1372 5.915,1373 9.211,1374 5.708,1375 4.797,1376 9.651,1377 6.026,1378 8.096,1379 0.289,1380 0.147,1381 8.096,1382 4.115,1383 7.254,1384 0.202,1385 0.081,1386 7.254,1387 2.911,1388 5.103,1389 0.128,1390 0.044,1391 5.103,1392 1.747,1393 3.786,1394 0.079,1395 0.023,1396 3.786,1397 1.098,1398 0.444,1399 61.294,1400 0.272,1401 20.09,1402 0.782,1403 98,1404 360.942,1405 107.964,1406 336.881,1407 443.46,1408 314,1409 113,1410 304.364,1411 123.077,1412 310.47,1413 446.4,1414 288,1415 4}
{0 CHEMBL1915758,1 1.29,2 12.78,3 3.316,4 10.995,5 155.905,6 6.273,8 4.568,9 4.687,10 3.98,11 4.087,12 5.5,13 4.031,14 5.245,15 5.431,16 4.507,17 4.605,18 6.119,19 4.54,20 5.654,21 5.822,22 4.78,23 4.97,24 6.592,25 4.888,26 5.981,27 6.2,28 4.866,29 5.173,30 6.866,31 5.046,32 6.125,33 6.374,34 4.846,35 5.204,36 7.03,37 5.049,38 6.11,39 6.386,40 4.727,41 5.117,42 6.959,43 4.952,44 5.964,45 6.217,46 4.636,47 5.038,48 6.883,49 4.872,50 5.973,51 6.254,52 4.425,53 4.949,54 6.834,55 4.744,56 0.042,57 1.2,58 22.322,59 10.268,60 15.931,61 13.587,62 0.471,63 2.128,64 44.479,65 18.232,66 54.383,67 24.727,68 0.61,69 3.142,70 67.669,71 26.723,72 99.153,73 36.011,74 0.858,75 4.101,76 92.557,77 35.281,78 149.262,79 49.03,80 1.359,81 4.467,82 106.95,83 38.598,84 220.047,85 54.778,86 1.512,87 4.198,88 105.263,89 36.32,90 210.516,91 52.142,92 1.124,93 3.796,94 90.695,95 32.884,96 200.986,97 46.784,98 1.252,99 3.646,100 91.125,101 31.767,102 200.668,103 46.055,104 204,105 76,106 0.194,107 0.409,108 0.666,109 0.821,110 0.851,111 0.851,112 3.743,113 1.04,114 -4.95,115 -4.85,116 -4.55,121 37.4,122 9,123 7,124 4,125 4,126 1,129 2,133 1,138 2,158 3,160 1,176 22,179 2,180 16,187 37,192 20,200 42,206 21,214 42,218 3,219 23,227 39,231 2,232 15,239 38,243 2,244 16,251 36,255 2,256 11,264 22,268 1,269 16,277 13,281 3067,282 25.535,283 25.535,284 25.535,285 25.535,286 25.535,287 24.835,288 35.062,289 13.535,290 25.686,291 21.981,292 21.981,293 21.981,294 21.981,295 21.981,296 20.515,297 46.036,298 6.226,299 22.081,300 5.218,301 3.791,302 2.081,303 1.05,304 0.852,305 0.852,306 4.426,312 1,313 1118,314 5.831,317 59.524,318 201.737,319 74.339,321 98.316,322 337.27,323 233.374,324 134.988,325 1.943,326 67.25,329 0.75,330 0.83,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.88,337 89,338 524,339 5.132,340 4.302,341 8.844,342 5.062,343 4.065,344 4.343,345 2.443,346 18.299,347 4.051,348 4.79,349 4.092,350 8.143,351 4.758,352 3.756,353 3.842,354 2.178,355 15.721,356 3.764,357 4.339,358 3.81,359 7.408,360 4.22,361 3.23,362 3.508,363 2.178,364 12.63,365 3.222,366 4.223,367 3.762,368 7.06,369 4.189,370 3.185,371 3.229,372 1.489,373 11.537,374 3.17,375 3.955,376 3.689,377 6.728,378 3.827,379 2.823,380 3.12,381 1.277,382 10.735,383 2.834,384 3.836,385 3.596,386 6.243,387 3.728,388 2.729,389 2.895,390 0.961,391 8.557,392 2.718,393 3.603,394 3.327,395 5.916,396 3.418,397 2.413,398 2.734,399 0.351,400 8.094,401 2.433,402 3.589,403 3.019,404 5.847,405 3.388,406 2.391,407 2.7,408 0.286,409 7.588,410 2.38,411 3.321,412 2.705,413 5.766,414 3.18,415 2.174,416 2.341,418 7.097,419 2.16,420 3.146,421 2.607,422 5.218,423 3.001,424 1.985,425 2.16,427 5.819,428 2.005,429 3.03,430 2.273,431 5.073,432 2.836,433 1.809,434 2.034,436 5.322,437 1.846,438 2.622,439 1.909,440 4.775,441 2.478,442 1.495,443 1.583,445 4.443,446 1.46,447 2.429,448 1.82,449 4.384,450 2.21,451 1.236,452 1.359,454 3.379,455 1.189,456 2.28,457 1.461,458 4.095,459 2.069,460 1.059,461 1.185,463 2.663,464 1.06,465 1.798,466 1.424,467 3.871,468 1.599,469 0.599,470 0.65,472 1.831,473 0.591,474 19.333,475 0.472,476 2.014,477 0.049,478 32.5,479 0.793,480 7.5,481 0.183,482 25,483 0.61,484 78.668,485 1.919,486 49.067,487 0.539,488 26.916,489 0.656,490 4.404,491 0.107,492 14.426,493 0.352,494 0.328,495 0.129,496 0.31,501 0.642,502 1.336,503 0.929,504 1.318,505 0.573,506 1.189,507 0.702,508 0.974,509 0.75,510 0.957,511 0.497,512 0.874,513 1.188,514 1.196,515 1.146,516 1.189,517 0.961,518 1.165,519 0.994,520 1.163,521 1.097,522 1.163,523 0.993,524 1.149,525 0.907,526 1.118,527 1.051,528 1.121,529 0.899,530 1.111,531 1.006,532 0.886,533 0.959,534 0.889,535 0.912,536 0.913,537 0.901,538 1.112,539 1.072,540 1.119,541 0.961,542 1.123,543 0.89,544 1.029,545 1.053,546 1.041,547 0.849,548 1.069,549 15.5,550 0.396,551 9.778,552 7.674,553 5.936,554 3.518,555 2.604,556 1.333,557 0.889,558 0.542,559 21601,560 49360,561 1.934,562 54.9,563 26,564 5,568 9,569 4,570 6,572 1.812,573 1.691,574 3.508,575 -0.824,582 117.391,583 1.29,584 2.717,585 4.426,586 5.458,587 5.656,588 5.656,589 3.095,590 5.114,591 5.318,592 3.715,593 3046.21,594 9.441,595 47574.3,600 592.209,601 1.915,602 5.191,603 0.344,604 0.01,605 0.129,606 0.08,607 0.059,608 0.038,609 0.031,610 0.018,611 0.016,612 0.012,613 0.738,614 0.17,615 0.75,616 1.575,617 224.61,618 0.007,619 -0.015,620 0.061,621 -0.005,622 -0.037,623 0.031,624 0.131,625 0.192,626 0.246,627 0.204,628 0.086,629 0.238,630 -0.134,631 -0.026,632 -0.114,633 -0.032,634 -0.083,635 -0.065,636 -0.085,637 -0.081,638 -0.107,639 -0.084,640 -0.071,641 -0.097,642 0.016,643 -0.104,644 -0.069,645 -0.106,646 0.011,647 -0.102,648 -0.026,649 0.069,650 0.022,651 0.068,652 -0.011,653 0.055,654 -0.009,655 -0.102,656 -0.098,657 -0.107,658 0.014,659 -0.115,660 -0.01,661 -0.077,662 -0.091,663 -0.083,664 0.002,665 -0.098,666 2.113,667 7.508,668 0.488,669 47.333,670 0.993,671 1.13,672 3.72,673 13.839,674 0.618,675 3.829,676 4.344,677 4.71,678 5.088,679 5.442,680 5.759,681 6.057,682 6.293,683 6.51,684 6.715,685 7.087,686 0.573,687 570.84,688 3.829,689 5.493,690 6.422,691 7.41,692 8.372,693 9.37,694 10.349,695 11.352,696 12.343,697 13.35,741 91,743 5,745 45,747 95,748 34,752 3,756 5,757 22,763 9,764 4,766 4,767 8,768 2,770 10,772 6,773 28,774 4,777 5,782 4,786 6,793 50,794 7,796 7,808 0.2,809 7,828 1,829 3,830 1,832 1,833 3,834 2,835 1,841 3,846 1,850 2,858 2,859 1,864 10,868 41,876 7,878 3,880 6,882 5,893 7.7,896 4,897 2,898 1,901 24.25,902 19.417,903 8.368,904 5.972,907 0.549,908 1.058,909 0.88,910 7.254,911 10.042,912 3.932,913 4.489,914 4.927,915 5.352,916 5.793,917 6.148,918 6.482,919 6.77,920 6.993,921 7.2,922 0.889,923 96,924 15.645,926 7.266,927 0.026,929 7.774,931 30.218,933 27.665,936 2.274,937 93.25,941 588.555,942 137.015,945 133.579,948 137.015,949 722.134,951 90.31,952 17.742,954 145.171,955 17.371,957 588.555,959 588.555,960 137.015,961 133.579,964 470.844,965 229.291,966 22,968 97.169,969 39.846,972 588.555,973 133.579,974 137.015,977 588.555,978 46.705,979 90.31,981 133.579,982 588.555,983 133.579,984 137.015,986 0.631,987 0.384,988 0.199,989 0.112,990 42,991 22,992 0.074,993 7,994 6,995 1.5,996 4.265,997 487.548,998 0.6,999 18,1000 215.66,1005 30.772,1006 9.665,1007 4.31,1009 133.579,1018 859.149,1019 50,1024 52.726,1028 2.13,1031 90.381,1032 102.846,1034 0.198,1035 0.417,1036 0.68,1037 0.839,1038 0.869,1039 0.869,1040 5.361,1041 2.391,1042 6.575,1043 8.094,1044 5.03,1045 5.176,1046 3.576,1047 7.657,1048 5.025,1049 6.64,1050 2.174,1051 8.331,1052 7.588,1053 5.263,1054 5.434,1055 3.124,1056 9.378,1057 5.268,1058 8.051,1059 1.985,1060 10.208,1061 7.097,1062 7,1063 7.265,1064 4.779,1065 12.575,1066 6.992,1067 9.491,1068 1.809,1069 12.158,1070 5.819,1071 7.948,1072 8.227,1073 5.038,1074 15.062,1075 7.946,1076 10.966,1077 1.495,1078 14.157,1079 5.322,1080 9.358,1081 9.72,1082 6.234,1083 17.982,1084 9.348,1085 12.465,1086 1.236,1087 16.19,1088 4.443,1089 10.564,1090 10.95,1091 6.807,1092 20.726,1093 10.555,1094 13.984,1095 1.059,1096 18.249,1097 3.379,1098 11.911,1099 12.37,1100 7.816,1101 23.598,1102 11.898,1103 4.065,1104 0.599,1105 20.328,1106 2.663,1107 13.212,1108 13.711,1109 8.535,1110 26.43,1111 13.198,1112 3.756,1113 18.299,1114 22.423,1115 1.831,1116 14.558,1117 15.125,1118 9.462,1119 29.302,1120 14.541,1121 3.23,1122 15.721,1123 24.531,1124 4.343,1125 15.899,1126 16.517,1127 10.253,1128 32.168,1129 15.879,1130 3.185,1131 12.63,1132 26.649,1133 3.842,1134 17.255,1135 17.94,1136 11.145,1137 35.048,1138 17.233,1139 2.823,1140 11.537,1141 28.775,1142 3.508,1143 18.615,1144 19.359,1145 11.973,1146 37.929,1147 18.589,1148 2.729,1149 10.735,1150 30.909,1151 3.229,1152 19.982,1153 20.793,1154 12.851,1155 40.816,1156 19.953,1157 2.413,1158 8.557,1159 33.048,1160 3.12,1161 21.352,1162 22.228,1163 13.698,1164 43.705,1165 21.321,1166 21246,1167 32111,1168 27.046,1169 56.216,1170 73.236,1171 77.197,1172 79.053,1173 71.661,1174 71.777,1175 77.432,1176 22.33,1177 252.195,1178 71.593,1179 6.132,1180 6.228,1181 8.388,1182 6.123,1183 6.065,1184 7.037,1185 4.174,1186 28.224,1187 6.051,1188 31.732,1189 1.627,1190 1.715,1191 1.757,1192 1.592,1193 1.595,1194 1.721,1195 0.496,1196 5.604,1197 1.591,1198 4.166,1199 4.189,1200 4.105,1201 4.093,1202 7.436,1203 4.092,1204 3.934,1205 3.969,1206 3.846,1207 3.849,1208 7.427,1209 3.843,1210 3.808,1211 3.837,1212 3.718,1213 3.668,1214 7.424,1215 3.672,1216 3.668,1217 3.703,1218 3.562,1219 3.512,1220 7.423,1221 3.514,1222 3.618,1223 3.653,1224 3.525,1225 3.447,1226 4.839,1227 3.459,1228 3.501,1229 3.546,1230 3.393,1231 3.349,1232 4.505,1233 3.345,1234 3.391,1235 3.461,1236 3.215,1237 3.248,1238 4.414,1239 3.23,1240 3.334,1241 3.39,1242 3.186,1243 3.168,1244 4.351,1245 3.161,1246 0.114,1247 0.096,1248 0.197,1249 0.112,1250 0.09,1251 5.132,1252 0.097,1253 4.302,1254 0.054,1255 8.844,1256 0.407,1257 5.062,1258 0.09,1259 4.065,1260 4.343,1261 2.443,1262 18.299,1263 4.051,1264 2.064,1265 2.042,1266 2.182,1267 2.152,1268 1.61,1269 2.162,1270 1.874,1271 1.839,1272 2.051,1273 1.999,1274 1.46,1275 2.016,1276 1.782,1277 1.749,1278 1.961,1279 1.931,1280 1.311,1281 1.939,1282 1.681,1283 1.642,1284 1.896,1285 1.876,1286 1.194,1287 1.877,1288 1.615,1289 1.578,1290 1.85,1291 1.822,1292 1.052,1293 1.831,1294 1.475,1295 1.413,1296 1.762,1297 1.652,1298 1.008,1299 1.692,1300 1.438,1301 1.387,1302 1.706,1303 1.642,1304 0.969,1305 1.659,1306 1.365,1307 1.3,1308 1.653,1309 1.563,1310 0.92,1311 1.595,1312 4.511,1314 5.979,1315 2.398,1316 7.642,1317 5.13,1318 9.407,1319 7.554,1320 11.239,1322 19.959,1328 3.505,1330 18.442,1332 -0.845,1334 -2.668,1340 52.174,1341 117.391,1342 247.223,1343 402.808,1344 496.66,1345 514.66,1346 514.66,1347 157.843,1348 9.493,1349 95.97,1350 95.97,1351 30,1352 13.808,1353 2.585,1354 2.585,1355 66.081,1356 171,1357 238,1358 0.196,1359 313.28,1360 583.29,1361 756.163,1362 179206,1364 30.499,1365 0.744,1366 0.653,1367 30.499,1368 26.772,1369 18.83,1370 0.418,1371 0.347,1372 15.442,1373 18.164,1374 14.594,1375 12.054,1376 18.83,1377 15.599,1378 20.277,1379 0.267,1380 0.206,1381 20.277,1382 15.662,1383 17.226,1384 0.157,1385 0.114,1386 17.226,1387 12.551,1388 14.746,1389 0.092,1390 0.064,1391 14.746,1392 10.332,1393 12.152,1394 0.053,1395 0.033,1396 12.152,1397 7.687,1398 0.297,1399 117.929,1400 0.192,1401 35.233,1402 0.576,1403 242,1404 602.149,1405 263.479,1406 559.795,1407 750.72,1408 520,1409 307,1410 540.818,1411 326.601,1412 545.329,1413 813.4,1414 509,1415 4.736}
{0 CHEMBL1915759,1 1.331,2 15.133,3 3.704,4 13.717,5 167.314,6 6.483,8 4.624,9 4.739,10 4.044,11 4.137,12 5.631,13 4.086,14 5.275,15 5.46,16 4.527,17 4.632,18 6.221,19 4.564,20 5.674,21 5.851,22 4.808,23 4.96,24 6.697,25 4.883,26 5.974,27 6.186,28 4.929,29 5.133,30 6.993,31 5.035,32 6.085,33 6.313,34 4.977,35 5.143,36 7.271,37 5.041,38 6.049,39 6.276,40 4.845,41 5.065,42 7.208,43 4.961,44 5.952,45 6.181,46 4.745,47 5.001,48 7.105,49 4.879,50 5.941,51 6.193,52 4.614,53 4.935,54 7.015,55 4.793,56 0.024,57 1.264,58 22.903,59 10.759,60 19.27,61 14.017,62 0.418,63 2.199,64 45.015,65 18.838,66 80.433,67 25.419,68 0.635,69 3.146,70 68.038,71 26.737,72 150.771,73 36.007,74 0.931,75 3.955,76 92.804,77 33.646,78 205.779,79 46.374,80 1.746,81 4.159,82 105.372,83 35.329,84 380.156,85 49.497,86 1.895,87 3.88,88 102.785,89 32.71,90 380.417,91 45.56,92 1.542,93 3.63,94 92.137,95 30.917,96 340.01,97 43.365,98 1.577,99 3.484,100 91.287,101 29.819,102 314.59,103 42.438,104 273,105 77,106 0.197,107 0.426,108 0.7,109 0.855,110 0.874,111 0.874,112 3.832,113 1.043,114 -4.07,115 -4.01,116 -3.8,121 37.1,122 9,123 8,124 4,125 4,127 1,129 2,138 2,158 4,160 2,176 23,179 2,180 13,185 2,187 33,191 1,192 21,197 4,200 37,206 24,211 2,214 31,218 6,219 32,224 2,227 33,231 2,232 22,235 1,237 1,239 33,243 3,244 21,247 1,249 1,251 31,255 2,256 15,259 1,261 2,264 24,268 2,269 15,272 1,274 3,277 18,281 4435,282 28.2,283 28.2,284 28.2,285 28.2,286 28.2,287 27.201,288 31.38,289 15.632,290 28.306,291 23.439,292 23.439,293 23.439,294 23.439,295 23.439,296 21.499,297 31.217,298 7.209,299 23.545,300 5.269,301 3.727,302 1.879,303 0.836,304 0.709,305 0.709,306 4.504,312 1,313 1423,314 6.205,317 77.774,318 279.946,321 134.312,322 310.744,325 2.104,326 96.963,329 0.75,330 0.5,331 0.67,332 0.9,333 1,334 0.5,335 0.5,336 0.69,337 99,338 681,339 5.185,340 4.476,341 8.95,342 5.105,343 4.104,344 4.426,345 2.459,346 18.791,347 4.108,348 4.786,349 3.967,350 8.146,351 4.756,352 3.758,353 3.85,354 2.443,355 15.741,356 3.751,357 4.301,358 3.816,359 7.421,360 4.189,361 3.193,362 3.417,363 2.242,364 12.669,365 3.181,366 4.052,367 3.774,368 7.208,369 3.932,370 2.93,371 3.189,372 2.178,373 11.697,374 2.934,375 3.953,376 3.603,377 6.401,378 3.771,379 2.77,380 3.124,381 1.48,382 9.137,383 2.767,384 3.757,385 3.546,386 6.064,387 3.615,388 2.622,389 2.849,390 1.277,391 8.18,392 2.6,393 3.647,394 3.497,395 5.906,396 3.42,397 2.393,398 2.791,399 0.286,400 7.874,401 2.448,402 3.481,403 3.259,404 5.682,405 3.197,406 2.164,407 2.626,408 0.236,409 6.73,410 2.227,411 3.445,412 3.07,413 5.434,414 3.107,415 2.107,416 2.552,417 0.227,418 5.938,419 2.072,420 3.205,421 2.704,422 5.073,423 3.017,424 1.995,425 2.232,427 5.629,428 2.03,429 2.996,430 2.303,431 4.939,432 2.799,433 1.807,434 1.995,436 5.058,437 1.783,438 2.756,439 2.033,440 4.629,441 2.646,442 1.675,443 1.738,445 4.337,446 1.618,447 2.689,448 2.03,449 4.457,450 2.562,451 1.536,452 1.684,454 3.745,455 1.562,456 2.387,457 1.851,458 4.184,459 2.223,460 1.233,461 1.324,463 3.275,464 1.212,465 2.289,466 1.712,467 4.037,468 2.086,469 1.091,470 1.19,472 2.444,473 1.073,474 21,475 0.467,476 1.965,477 0.044,478 37.25,479 0.828,480 10.5,481 0.233,482 26.75,483 0.594,484 81.998,485 1.822,486 54,487 0.557,488 37.778,489 0.84,490 5.471,491 0.122,492 15.322,493 0.34,494 0.325,495 0.095,496 0.333,501 0.631,502 1.315,503 0.908,504 1.302,505 0.585,506 1.178,507 0.579,508 1.033,509 0.752,510 1.023,511 0.508,512 0.935,513 0.948,514 1.175,515 1.017,516 1.167,517 0.914,518 1.114,519 1.052,520 1.137,521 1.037,522 1.128,523 0.985,524 1.086,525 1.022,526 1.071,527 0.982,528 1.061,529 1.07,530 1.02,531 1.385,532 0.963,533 1.135,534 0.96,535 1.461,536 0.994,537 1.103,538 1.093,539 1.107,540 1.095,541 1.21,542 1.101,543 1.107,544 0.984,545 1.074,546 0.989,547 1.113,548 1.02,549 14.5,550 0.441,551 10,552 7.639,553 6.632,554 3.657,555 2.593,556 1.457,557 1.141,558 0.652,559 28063,560 68598,561 1.886,562 53.6,563 31,564 4,567 1,568 12,569 4,572 1.833,573 1.656,574 3.707,575 -0.429,582 129.122,583 1.331,584 2.873,585 4.72,586 5.764,587 5.891,588 5.891,589 3.304,590 5.225,591 5.449,592 3.922,593 3882.91,594 9.7,595 66684.8,600 640.192,601 1.862,602 5.329,603 0.302,604 0.009,605 0.13,606 0.078,607 0.063,608 0.034,609 0.028,610 0.018,611 0.016,612 0.011,613 0.689,614 0.33,615 0.75,616 2.028,617 256.201,618 -0.016,619 0.013,620 0.032,621 0.017,622 -0.033,623 0.032,624 0.113,625 0.143,626 0.194,627 0.153,628 0.07,629 0.185,630 -0.05,631 -0.021,632 -0.035,633 -0.022,634 -0.059,635 -0.025,636 -0.088,637 -0.067,638 -0.048,639 -0.063,640 -0.072,641 -0.049,642 0.058,643 -0.06,644 0.026,645 -0.055,646 0.063,647 -0.025,648 -0.116,649 0.021,650 -0.093,651 0.013,652 -0.106,653 -0.029,654 -0.021,655 -0.084,656 -0.099,657 -0.091,658 -0.012,659 -0.108,660 -0.047,661 -0.017,662 -0.073,663 -0.023,664 -0.034,665 -0.049,666 2.667,667 7.73,668 0.378,669 60.8,670 0.999,671 1.131,672 2.836,673 8.046,674 0.617,675 3.892,676 4.357,677 4.727,678 5.088,679 5.421,680 5.645,681 5.883,682 6.109,683 6.261,684 6.361,685 8.067,686 0.579,687 628.88,688 3.892,689 5.525,690 6.444,691 7.416,692 8.377,693 9.363,694 10.344,695 11.34,696 12.333,697 13.335,741 97,743 7,745 48,747 100,748 36,752 4,756 4,757 10,763 9,764 4,766 4,767 6,768 2,770 10,772 8,773 28,774 4,777 7,782 6,786 8,793 52,794 9,795 1,796 9,808 0.25,809 9,811 1,828 1,829 3,832 1,833 2,841 4,846 2,850 2,857 1,859 1,864 9,868 45,875 1,876 9,878 2,880 6,882 4,893 9.3,894 1,896 6,898 2,901 27.167,902 20.033,903 9.604,904 6.546,907 0.569,908 1.063,909 0.859,910 9.762,911 9.582,912 4.025,913 4.543,914 4.984,915 5.434,916 5.892,917 6.153,918 6.431,919 6.707,920 6.864,921 6.933,922 1,923 98,924 17.396,926 8.223,927 0.026,929 8.007,931 32.428,933 28.788,936 2.507,937 112.833,941 600.326,942 145.583,945 215.553,948 145.583,949 815.879,951 79.427,952 24.869,953 42.683,954 185.786,955 28.371,957 600.326,959 600.326,960 145.583,961 215.553,964 553.242,965 219.954,966 42.683,968 104.295,969 41.288,972 600.326,973 215.553,974 145.583,977 600.326,978 66.156,979 79.427,981 215.553,982 600.326,983 215.553,984 145.583,986 0.613,987 0.375,988 0.201,989 0.118,990 38,991 22,992 0.12,993 12,994 3,995 1.353,996 4.551,997 524.842,998 0.353,999 17,1000 245.133,1005 35.528,1006 12.365,1007 5.454,1009 215.553,1017 42.683,1018 961.462,1019 55,1024 81.435,1028 -1.66,1031 96.919,1032 109.68,1034 0.202,1035 0.435,1036 0.715,1037 0.873,1038 0.893,1039 0.893,1040 5.412,1041 2.164,1042 6.569,1043 7.874,1044 5.043,1045 5.231,1046 3.798,1047 7.639,1048 5.041,1049 6.669,1050 2.107,1051 8.317,1052 6.73,1053 5.198,1054 5.434,1055 3.439,1056 9.351,1057 5.209,1058 8.063,1059 1.995,1060 10.192,1061 5.938,1062 6.965,1063 7.299,1064 5.129,1065 12.592,1066 6.962,1067 9.493,1068 1.807,1069 12.148,1070 5.629,1071 7.894,1072 8.248,1073 5.437,1074 15.114,1075 7.899,1076 10.964,1077 1.675,1078 14.157,1079 5.058,1080 9.319,1081 9.76,1082 6.669,1083 18.068,1084 9.318,1085 12.463,1086 1.536,1087 16.202,1088 4.337,1089 10.533,1090 11.001,1091 7.265,1092 20.848,1093 10.535,1094 13.986,1095 1.233,1096 18.276,1097 3.745,1098 11.895,1099 12.44,1100 8.312,1101 23.752,1102 11.894,1103 4.104,1104 1.091,1105 20.37,1106 3.275,1107 13.212,1108 13.801,1109 9.045,1110 26.616,1111 13.212,1112 3.758,1113 18.791,1114 22.48,1115 2.444,1116 14.573,1117 15.237,1118 10.006,1119 29.519,1120 14.574,1121 3.193,1122 15.741,1123 24.603,1124 4.426,1125 15.93,1126 16.653,1127 10.808,1128 32.416,1129 15.931,1130 2.93,1131 12.669,1132 26.736,1133 3.85,1134 17.301,1135 18.1,1136 11.729,1137 35.326,1138 17.304,1139 2.77,1140 11.697,1141 28.878,1142 3.417,1143 18.676,1144 19.544,1145 12.568,1146 38.236,1147 18.679,1148 2.622,1149 9.137,1150 31.026,1151 3.189,1152 20.057,1153 21.001,1154 13.47,1155 41.153,1156 20.062,1157 2.393,1158 8.18,1159 33.18,1160 3.124,1161 21.441,1162 22.46,1163 14.329,1164 44.072,1165 21.447,1166 28176,1167 44103,1168 28.55,1169 59.887,1170 76.82,1171 81.396,1172 83.941,1173 75.298,1174 75.341,1175 83.123,1176 25.657,1177 253.976,1178 75.257,1179 6.185,1180 6.476,1181 8.86,1182 6.128,1183 6.104,1184 7.137,1185 4.279,1186 28.875,1187 6.108,1188 36.175,1189 1.6,1190 1.696,1191 1.749,1192 1.569,1193 1.57,1194 1.732,1195 0.535,1196 5.291,1197 1.568,1198 4.159,1199 4.177,1200 4.106,1201 4.086,1202 7.443,1203 4.087,1204 3.937,1205 3.971,1206 3.847,1207 3.85,1208 7.432,1209 3.844,1210 3.819,1211 3.848,1212 3.727,1213 3.674,1214 7.429,1215 3.678,1216 3.681,1217 3.734,1218 3.563,1219 3.533,1220 7.424,1221 3.528,1222 3.615,1223 3.662,1224 3.489,1225 3.485,1226 7.423,1227 3.473,1228 3.562,1229 3.575,1230 3.475,1231 3.348,1232 7.42,1233 3.357,1234 3.494,1235 3.542,1236 3.364,1237 3.323,1238 6.449,1239 3.339,1240 3.418,1241 3.476,1242 3.289,1243 3.256,1244 4.536,1245 3.251,1246 0.108,1247 0.093,1248 0.186,1249 0.106,1250 0.085,1251 5.185,1252 0.092,1253 4.476,1254 0.051,1255 8.95,1256 0.391,1257 5.105,1258 0.086,1259 4.104,1260 4.426,1261 2.459,1262 18.791,1263 4.108,1264 2.062,1265 2.043,1266 2.179,1267 2.154,1268 1.603,1269 2.161,1270 1.875,1271 1.841,1272 2.048,1273 2.004,1274 1.465,1275 2.018,1276 1.782,1277 1.75,1278 1.969,1279 1.941,1280 1.264,1281 1.945,1282 1.7,1283 1.654,1284 1.943,1285 1.881,1286 1.239,1287 1.903,1288 1.644,1289 1.585,1290 1.878,1291 1.814,1292 1.166,1293 1.839,1294 1.49,1295 1.441,1296 1.763,1297 1.717,1298 1.006,1299 1.708,1300 1.461,1301 1.426,1302 1.707,1303 1.664,1304 0.974,1305 1.693,1306 1.403,1307 1.349,1308 1.672,1309 1.609,1310 0.894,1311 1.63,1312 4.575,1314 6.004,1315 2.398,1316 7.644,1317 5.043,1318 9.405,1319 7.413,1320 11.242,1322 16.013,1327 10.906,1328 3.02,1330 11.141,1332 -3.872,1334 -4.15,1340 56.13,1341 129.122,1342 278.633,1343 457.888,1344 559.133,1345 571.398,1346 571.398,1347 255.053,1348 9.013,1349 141.11,1350 141.11,1351 23,1352 13.795,1353 3,1354 3,1355 88.102,1356 207,1357 342,1358 0.208,1359 341.996,1360 642.55,1361 826.229,1362 104015,1364 33.861,1365 0.752,1366 0.634,1367 33.861,1368 28.541,1369 20.793,1370 0.433,1371 0.348,1372 16.526,1373 20.06,1374 15.737,1375 13.052,1376 20.793,1377 16.69,1378 20.992,1379 0.273,1380 0.202,1381 20.992,1382 15.565,1383 17.87,1384 0.16,1385 0.112,1386 17.87,1387 12.491,1388 14.926,1389 0.093,1390 0.06,1391 14.926,1392 9.628,1393 12.612,1394 0.056,1395 0.031,1396 12.612,1397 7.02,1398 0.32,1399 130.521,1400 0.187,1401 38.456,1402 0.593,1403 250,1404 706.034,1405 272.918,1406 655.233,1407 855.7,1408 604,1409 314,1410 591.909,1411 335.705,1412 593.727,1413 884.59,1414 556,1415 5.027}
{0 CHEMBL1915760,1 1.164,2 12.091,3 6.794,4 46.152,5 137.378,6 5.756,8 4.406,9 4.54,10 3.736,11 3.96,12 5.286,13 3.874,14 5.055,15 5.257,16 4.226,17 4.487,18 5.869,19 4.376,20 5.471,21 5.677,22 4.476,23 4.841,24 6.264,25 4.701,26 5.825,27 6.081,28 4.433,29 5.012,30 6.551,31 4.81,32 5.914,33 6.227,34 4.253,35 4.962,36 6.52,37 4.708,38 5.767,39 6.092,40 4.096,41 4.781,42 6.352,43 4.529,44 5.566,45 5.873,46 4.022,47 4.637,48 6.186,49 4.405,50 5.495,51 5.796,52 3.977,53 4.54,54 6.196,55 4.324,56 0.098,57 1.038,58 20.008,59 9.057,60 14.901,61 12.421,62 0.285,63 1.861,64 36.827,65 16.344,66 45.149,67 22.738,68 0.279,69 2.767,70 55.361,71 24.293,72 47.717,73 33.934,74 0.533,75 3.585,76 75.657,77 31.55,78 79.7,79 44.702,80 0.485,81 3.679,82 78.608,83 32.68,84 77.123,85 47.12,86 0.46,87 3.099,88 67.293,89 27.5,90 69.807,91 39.735,92 0.342,93 2.613,94 55.905,95 23.144,96 53.014,97 33.276,98 0.412,99 2.379,100 52.785,101 20.901,102 62.439,103 29.942,104 107,105 59,106 0.181,107 0.436,108 0.678,109 0.823,110 0.868,111 0.868,112 3.533,113 1.107,114 -7.01,115 -6.81,116 -6.3,121 38,122 7,123 8,124 3,125 4,129 1,137 3,138 3,160 1,170 1,174 1,176 30,177 1,180 1,183 1,185 3,187 48,188 2,192 2,197 6,200 61,201 1,206 1,211 3,214 55,215 1,219 1,224 4,227 42,228 1,232 1,237 3,239 36,240 2,244 2,249 4,251 30,252 2,256 2,261 5,264 25,265 4,269 4,274 7,277 16,278 3,281 1809,282 20.798,283 20.798,284 20.798,285 20.798,286 20.798,287 19.888,288 18.728,289 11.137,290 20.833,291 17.541,292 17.541,293 17.541,294 17.541,295 17.541,296 16.183,297 16.395,298 5.049,299 17.611,300 5.14,301 3.501,302 1.944,303 1.017,304 0.725,305 0.725,306 4.211,312 1,313 845,314 5.148,317 54.869,318 185.141,321 90.798,322 204.842,325 2.16,326 31.53,329 0.75,330 0.67,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.85,337 69,338 399,339 5.036,340 4.116,341 8.689,342 4.981,343 3.981,344 4.2,345 1.437,346 17.489,347 3.98,348 4.756,349 3.838,350 8.115,351 4.738,352 3.74,353 3.783,355 15.557,356 3.73,357 4.237,358 3.593,359 7.352,360 4.152,361 3.158,362 3.378,364 12.365,365 3.137,366 4.033,367 3.294,368 6.846,369 3.755,370 2.755,371 3.326,373 10.51,374 2.753,375 3.828,376 2.873,377 5.884,378 3.644,379 2.641,380 2.9,382 7.421,383 2.634,384 3.325,385 2.347,386 5.736,387 3.213,388 2.213,389 2.354,391 7.177,392 2.213,393 3.166,394 2.172,395 5.552,396 2.899,397 1.911,398 2.197,400 6.259,401 1.893,402 2.917,403 2.107,404 5.188,405 2.851,406 1.866,407 1.911,409 5.376,410 1.828,411 2.867,412 2.006,413 4.465,414 2.506,415 1.503,416 1.824,418 3.7,419 1.499,420 2.631,421 1.67,422 4.311,423 2.386,424 1.394,425 1.575,427 3.633,428 1.381,429 2.334,430 1.463,431 3.899,432 2.19,433 1.187,434 1.302,436 2.829,437 1.182,438 1.966,439 1.123,440 3.755,441 1.837,442 0.839,443 0.903,445 2.232,446 0.835,447 1.782,448 1.019,449 3.705,450 1.676,451 0.673,452 0.72,454 1.473,455 0.671,456 1.436,457 0.687,458 3.418,459 1.375,460 0.417,461 0.421,463 1.004,464 0.396,465 1.18,466 0.432,467 3.256,468 1.056,469 0.061,470 0.065,472 0.165,473 0.06,474 16,475 0.485,476 1.471,477 0.045,478 24.75,479 0.75,480 6,481 0.182,482 18.75,483 0.568,484 58.604,485 1.776,486 39.2,487 0.496,488 14.284,489 0.433,490 2.942,491 0.089,492 12.345,493 0.374,494 0.281,495 0.125,496 0.25,501 0.828,502 1.201,503 1.097,504 1.2,505 0.854,506 1.175,507 0.451,508 0.989,509 0.864,510 0.99,511 0.41,512 0.966,513 0.64,514 1.257,515 1.111,516 1.258,517 0.569,518 1.23,519 0.909,520 1.184,521 1.206,522 1.196,523 0.864,524 1.223,525 0.464,526 1.031,527 0.953,528 1.039,529 0.447,530 1.039,531 0.545,532 0.893,533 0.86,534 0.9,535 0.521,536 0.907,537 0.486,538 1.014,539 0.907,540 1.017,541 0.483,542 1.001,543 0.905,544 0.962,545 0.949,546 0.962,547 0.922,548 0.96,549 11,550 0.21,551 9.111,552 5.229,553 3.579,554 1.691,555 1.207,556 0.87,557 0.613,558 0.371,559 13359,560 25453,561 1.945,562 58.2,563 38,564 4,567 2,569 2,572 1.753,573 1.722,574 3.489,575 0.042,582 91.953,583 1.164,584 2.803,585 4.36,586 5.287,587 5.579,588 5.579,589 3.063,590 4.681,591 5.005,592 3.699,593 1953.21,594 8.777,595 27490.9,600 497.999,601 1.915,602 4.892,603 0.306,604 0.009,605 0.154,606 0.073,607 0.057,608 0.034,609 0.027,610 0.021,611 0.016,612 0.012,613 0.708,614 0.5,615 0.88,616 1.592,617 172.237,618 -0.05,619 0.099,620 0.03,621 0.095,622 -0.094,623 0.073,624 0.163,625 0.194,626 0.183,627 0.193,628 0.179,629 0.19,630 -0.012,631 -0.088,632 -0.071,633 -0.089,634 0.043,635 -0.085,636 -0.107,637 -0.127,638 -0.206,639 -0.138,640 -0.09,641 -0.176,642 0.015,643 -0.065,644 -0.037,645 -0.064,646 0.011,647 -0.056,648 0.017,649 0.045,650 0.051,651 0.046,652 0.009,653 0.051,654 0.041,655 -0.039,656 0.02,657 -0.034,658 0.028,659 -0.012,660 -0.013,662 0.014,663 0.003,664 -0.029,665 0.01,666 2.47,667 4.783,668 0.515,669 37.598,670 0.979,671 1.129,672 5.78,673 33.407,674 0.619,675 3.611,676 4.094,677 4.466,678 4.736,679 4.997,680 5.231,681 5.476,682 5.68,683 5.817,684 5.916,685 6.949,686 0.56,687 454.76,688 3.611,689 5.252,690 6.176,691 7.138,692 8.089,693 9.06,694 10.023,695 11.001,696 11.972,697 12.955,741 79,743 4,745 36,747 82,748 30,752 7,756 4,757 10,763 7,764 4,766 4,767 7,768 2,770 9,772 7,773 23,774 3,777 4,782 1,784 3,786 4,793 46,794 3,795 2,796 3,808 0.25,809 3,811 1,828 1,829 3,832 1,833 2,845 1,849 3,850 3,857 2,859 1,864 7,868 33,875 2,876 8,880 4,882 4,893 3.8,894 1,895 1,896 1,901 19.167,902 15.9,903 6.854,904 5.29,907 1.129,908 1.134,909 0.866,910 6.192,911 9.557,912 3.714,913 4.263,914 4.718,915 5.056,916 5.407,917 5.737,918 6.08,919 6.34,920 6.54,921 6.717,922 1,923 72,924 12.405,926 5.492,927 0.026,929 7.561,931 24.938,933 22.913,936 2.061,937 68,941 517.928,942 120.948,945 110.512,948 120.948,949 628.44,951 61.776,952 20.276,953 71.112,954 68.738,955 9.557,957 517.928,959 517.928,960 120.948,961 110.512,964 494.386,965 91.37,966 42.683,968 82.053,969 10.467,970 28.429,972 517.928,973 110.512,974 120.948,977 517.928,978 30.743,979 90.205,981 110.512,982 517.928,983 110.512,984 120.948,986 0.628,987 0.392,988 0.182,989 0.091,990 32,991 16,992 0.061,993 5,994 3,995 1.353,996 3.95,997 335.929,998 0.353,999 17,1000 164.465,1005 24.927,1006 8.197,1007 3.558,1009 110.512,1017 85.367,1018 749.388,1019 40,1024 11.136,1026 7.076,1028 2.888,1031 77.305,1032 89.178,1034 0.185,1035 0.445,1036 0.692,1037 0.839,1038 0.885,1039 0.885,1040 5.118,1041 1.866,1042 6.315,1043 6.259,1044 4.779,1045 4.949,1046 1.635,1047 7.388,1048 4.772,1049 6.39,1050 1.503,1051 8.074,1052 5.376,1053 4.977,1054 5.13,1056 9.149,1057 4.967,1058 7.798,1059 1.394,1060 9.961,1061 3.7,1062 6.742,1063 7.04,1064 2.253,1065 12.333,1066 6.732,1067 9.24,1068 1.187,1069 11.926,1070 3.633,1071 7.701,1072 7.959,1074 14.835,1075 7.69,1076 10.72,1077 0.839,1078 13.939,1079 2.829,1080 9.123,1081 9.492,1082 2.922,1083 17.732,1084 9.111,1085 12.224,1086 0.673,1087 15.984,1088 2.232,1089 10.34,1090 10.689,1092 20.453,1093 10.327,1094 13.747,1095 0.417,1096 18.052,1097 1.473,1098 11.691,1099 12.117,1100 3.619,1101 23.293,1102 11.678,1103 3.981,1104 0.061,1105 20.135,1106 1.004,1107 12.994,1108 13.426,1110 26.086,1111 12.981,1112 3.74,1113 17.489,1114 22.231,1115 0.165,1116 14.337,1117 14.826,1118 4.33,1119 28.918,1120 14.324,1121 3.158,1122 15.557,1123 24.336,1124 4.2,1125 15.672,1126 16.186,1128 31.739,1129 15.658,1130 2.755,1131 12.365,1132 26.449,1133 3.783,1134 17.021,1135 17.584,1136 5.047,1137 34.574,1138 17.006,1139 2.641,1140 10.51,1141 28.568,1142 3.378,1143 18.369,1144 18.969,1146 37.407,1147 18.355,1148 2.213,1149 7.421,1150 30.691,1151 3.326,1152 19.723,1153 20.372,1154 5.769,1155 40.247,1156 19.709,1157 1.911,1158 7.177,1159 32.819,1160 2.9,1161 21.079,1162 21.771,1164 43.088,1165 21.065,1166 13222,1167 18286,1168 21.959,1169 48.876,1170 57.659,1171 58.649,1172 62.054,1173 56.682,1174 56.678,1175 61.714,1176 2.873,1177 194.378,1178 56.385,1179 6.036,1180 6.116,1181 8.232,1182 5.981,1183 5.981,1184 6.789,1185 2.873,1186 27.292,1187 5.98,1188 23.805,1189 1.602,1190 1.629,1191 1.724,1192 1.574,1193 1.574,1194 1.714,1195 0.08,1196 5.399,1197 1.566,1198 4.144,1199 4.176,1200 4.069,1201 4.089,1202 7.475,1203 4.08,1204 3.929,1205 3.969,1206 3.827,1207 3.849,1208 6.449,1209 3.838,1210 3.785,1211 3.822,1212 3.693,1213 3.68,1214 6.351,1215 3.675,1216 3.616,1217 3.658,1218 3.507,1219 3.507,1220 4.659,1221 3.501,1222 3.482,1223 3.542,1224 3.331,1225 3.353,1226 4.359,1227 3.338,1228 3.411,1229 3.476,1230 3.248,1231 3.285,1232 4.293,1233 3.267,1234 3.321,1235 3.4,1236 3.122,1237 3.182,1238 4.123,1239 3.157,1240 3.191,1241 3.266,1242 3.016,1243 3.011,1244 4.006,1245 2.994,1246 0.14,1247 0.114,1248 0.241,1249 0.138,1250 0.111,1251 5.036,1252 0.117,1253 4.116,1254 0.04,1255 8.689,1256 0.486,1257 4.981,1258 0.111,1259 3.981,1260 4.2,1261 1.437,1262 17.489,1263 3.98,1264 2.074,1265 2.048,1266 2.202,1267 2.153,1268 1.616,1269 2.171,1270 1.878,1271 1.838,1272 2.066,1273 1.996,1274 1.48,1275 2.021,1276 1.793,1277 1.752,1278 1.987,1279 1.921,1280 1.345,1281 1.944,1282 1.668,1283 1.628,1284 1.873,1285 1.818,1286 1.14,1287 1.835,1288 1.506,1289 1.448,1290 1.776,1291 1.672,1292 1.017,1293 1.711,1294 1.435,1295 1.374,1296 1.718,1297 1.619,1298 0.998,1299 1.654,1300 1.404,1301 1.334,1302 1.69,1303 1.593,1304 0.899,1305 1.63,1306 1.223,1307 1.15,1308 1.554,1309 1.432,1310 0.743,1311 1.476,1312 4.29,1314 5.733,1315 2.398,1316 7.391,1317 4.949,1318 9.155,1319 7.248,1320 10.98,1322 16.216,1327 19.936,1328 8.636,1332 1.541,1334 0.572,1340 44.261,1341 91.953,1342 221.445,1343 344.437,1344 417.695,1345 440.714,1346 440.714,1347 89.338,1348 8.428,1349 57.53,1350 57.53,1351 23,1352 13.426,1353 2.322,1354 2.322,1355 54.475,1356 135,1357 161,1358 0.204,1359 269.246,1360 493.93,1361 648.721,1362 52415,1364 24.397,1365 0.739,1366 0.667,1367 24.397,1368 22.001,1369 15.287,1370 0.425,1371 0.369,1372 13.239,1373 15.08,1374 12.537,1375 10.443,1376 15.287,1377 13.286,1378 15.758,1379 0.267,1380 0.223,1381 15.758,1382 13.163,1383 14.214,1384 0.165,1385 0.132,1386 14.214,1387 11.382,1388 10.94,1389 0.097,1390 0.078,1391 10.94,1392 8.795,1393 8.46,1394 0.058,1395 0.043,1396 8.46,1397 6.26,1398 0.316,1399 93.455,1400 0.213,1401 30.142,1402 0.576,1403 190,1404 344.035,1405 196.532,1406 341.139,1407 468.45,1408 316,1409 240,1410 345.939,1411 245.648,1412 360.809,1413 534.94,1414 337,1415 4.676}
{0 CHEMBL1915761,1 1.164,2 12.091,3 5.454,4 29.75,5 138.388,6 5.756,8 4.406,9 4.54,10 3.736,11 3.96,12 5.279,13 3.874,14 5.056,15 5.259,16 4.204,17 4.484,18 5.797,19 4.373,20 5.458,21 5.665,22 4.472,23 4.831,24 6.245,25 4.693,26 5.798,27 6.049,28 4.448,29 4.997,30 6.579,31 4.802,32 5.897,33 6.205,34 4.251,35 4.949,36 6.526,37 4.7,38 5.755,39 6.08,40 4.092,41 4.77,42 6.344,43 4.52,44 5.556,45 5.861,46 4.021,47 4.63,48 6.172,49 4.4,50 5.499,51 5.801,52 3.976,53 4.539,54 6.193,55 4.323,56 0.098,57 1.038,58 20.008,59 9.057,60 13.146,61 12.421,62 0.2,63 1.857,64 36.749,65 16.287,66 25.205,67 22.633,68 0.265,69 2.737,70 54.563,71 24.039,72 41.518,73 33.585,74 0.618,75 3.511,76 74.155,77 30.887,78 96.285,79 43.714,80 0.499,81 3.618,82 77.572,83 32.09,84 79.546,85 46.203,86 0.457,87 3.062,88 66.519,89 27.171,90 68.992,91 39.255,92 0.339,93 2.59,94 55.387,95 22.94,96 50.514,97 32.969,98 0.413,99 2.381,100 52.892,101 20.923,102 61.106,103 29.988,104 91,105 58,106 0.181,107 0.433,108 0.669,109 0.81,110 0.85,111 0.85,112 3.533,113 1.108,114 -6.2,115 -6.04,116 -5.61,121 38,122 6,123 8,124 3,125 4,127 2,137 3,138 3,158 1,176 29,180 2,185 2,187 47,192 4,197 2,200 60,206 2,210 1,211 2,214 54,219 3,224 2,227 41,232 2,237 2,239 34,244 2,249 4,251 28,256 3,261 4,264 21,269 3,274 8,277 13,281 1813,282 21.331,283 21.331,284 21.331,285 21.331,286 21.331,287 20.501,288 25.072,289 11.52,290 21.345,291 17.438,292 17.438,293 17.438,294 17.438,295 17.438,296 16.019,297 29.857,298 5.08,299 17.467,300 5.14,301 3.521,302 2.007,303 1.095,304 0.842,305 0.842,306 4.213,312 1,313 845,314 5.05,317 54.869,318 185.141,321 90.798,322 204.842,325 2.16,326 31.863,329 0.75,330 0.67,331 1,332 1,333 1,334 1,335 1,336 0.92,337 69,338 399,339 5.037,340 4.162,341 8.689,342 4.981,343 3.981,344 4.203,345 2.178,346 17.489,347 3.981,348 4.774,349 4.046,350 8.115,351 4.743,352 3.74,353 3.83,354 1.177,355 15.557,356 3.751,357 4.284,358 3.602,359 7.352,360 4.166,361 3.158,362 3.442,363 0.497,364 12.365,365 3.18,366 3.846,367 2.975,368 6.846,369 3.754,370 2.753,371 3.06,373 10.51,374 2.755,375 3.793,376 2.884,377 5.884,378 3.431,379 2.447,380 2.913,382 7.19,383 2.406,384 3.318,385 2.669,386 5.553,387 3.201,388 2.202,389 2.348,391 6.64,392 2.198,393 3.214,394 2.291,395 5.271,396 2.933,397 1.911,398 2.262,400 6.256,401 1.953,402 3.048,403 2.015,404 5.187,405 2.874,406 1.866,407 2.054,409 5.376,410 1.877,411 2.688,412 1.789,413 4.464,414 2.41,415 1.409,416 1.626,418 3.695,419 1.41,420 2.412,421 1.656,422 4.304,423 2.394,424 1.391,425 1.41,427 3.543,428 1.393,429 2.051,430 1.431,431 3.899,432 1.983,433 0.99,434 1.016,436 2.294,437 0.981,438 1.962,439 1.204,440 3.74,441 1.791,442 0.79,443 0.864,445 2.006,446 0.79,447 1.657,448 1.133,449 3.419,450 1.477,451 0.618,452 0.618,454 1.008,455 0.525,456 1.618,457 1.045,458 3.35,459 1.463,460 0.418,461 0.476,463 0.791,464 0.434,465 1.36,466 0.546,467 3.233,468 1.11,469 0.141,470 0.157,472 0.291,473 0.134,474 16,475 0.485,476 1.305,477 0.04,478 24.25,479 0.735,480 5.5,481 0.167,482 18.75,483 0.568,484 57.759,485 1.75,486 39.2,487 0.496,488 14.369,489 0.435,490 2.957,491 0.09,492 12.495,493 0.379,494 0.25,495 0.125,496 0.219,501 0.828,502 1.201,503 1.097,504 1.2,505 0.846,506 1.175,507 0.694,508 0.976,509 0.917,510 0.978,511 0.656,512 0.968,513 0.59,514 1.247,515 1.087,516 1.247,517 0.608,518 1.215,519 0.856,520 1.2,521 1.205,522 1.212,523 0.908,524 1.236,525 0.54,526 1.036,527 0.976,528 1.045,529 0.534,530 1.048,531 0.549,532 0.885,533 0.853,534 0.892,535 0.565,536 0.898,537 0.49,538 1.017,539 0.91,540 1.02,541 0.485,542 1.004,543 0.9,544 0.95,545 0.938,546 0.95,547 0.895,548 0.948,549 10.5,550 0.194,551 8.667,552 5.229,553 3.499,554 1.691,555 1.207,556 0.839,557 0.57,558 0.351,559 13367,560 25373,561 1.962,562 58.2,563 35,564 7,567 2,568 2,572 1.753,573 1.752,574 3.49,575 0.042,582 91.953,583 1.164,584 2.782,585 4.297,586 5.208,587 5.462,588 5.462,589 3.063,590 4.62,591 5.004,592 3.699,593 1953.09,594 8.778,595 27511.1,600 497.999,601 1.884,602 4.902,603 0.292,604 0.008,605 0.149,606 0.073,607 0.055,608 0.034,609 0.027,610 0.02,611 0.015,612 0.011,613 0.684,614 0.5,615 0.88,616 1.673,617 172.251,618 -0.05,619 0.099,620 0.03,621 0.095,622 -0.089,623 0.073,624 -0.016,625 0.204,626 0.135,627 0.202,628 -0.009,629 0.184,631 -0.077,632 -0.051,633 -0.076,634 0.029,635 -0.069,636 -0.036,637 -0.135,638 -0.198,639 -0.146,640 -0.032,641 -0.181,643 -0.066,644 -0.051,645 -0.067,646 0.002,647 -0.064,648 0.018,649 0.052,650 0.058,651 0.054,652 0.01,653 0.059,654 0.04,655 -0.04,656 0.018,657 -0.035,658 0.028,659 -0.013,660 -0.01,661 0.009,662 0.023,663 0.012,664 -0.024,665 0.019,666 1.548,667 5.783,668 0.515,669 37.745,670 0.979,671 1.129,672 4.968,673 24.68,674 0.619,675 3.611,676 4.078,677 4.466,678 4.745,679 4.997,680 5.231,681 5.476,682 5.68,683 5.817,684 5.916,685 6.95,686 0.56,687 454.76,688 3.611,689 5.242,690 6.168,691 7.128,692 8.08,693 9.052,694 10.016,695 10.995,696 11.967,697 12.95,741 79,743 4,745 36,747 82,748 30,752 4,756 4,757 10,763 8,764 4,766 4,767 6,768 2,770 8,772 7,773 23,774 3,777 4,782 1,784 3,786 4,793 46,794 3,795 2,796 3,808 0.25,809 3,810 2,828 1,829 3,832 1,833 2,841 1,849 3,850 3,857 2,859 1,864 6,868 33,875 2,876 10,880 3,882 4,893 3.8,894 2,896 1,901 18.833,902 15.567,903 7.076,904 5.249,907 1.121,908 1.133,909 0.871,910 6.411,911 9.549,912 3.714,913 4.248,914 4.727,915 5.069,916 5.429,917 5.765,918 6.109,919 6.382,920 6.588,921 6.768,922 1,923 72,924 12.414,926 5.471,927 0.026,929 7.551,931 24.998,933 22.871,936 2.051,937 67.667,941 517.928,942 116.346,945 110.512,948 116.346,949 628.44,951 52.951,952 20.276,953 113.795,954 30.278,955 9.557,957 517.928,959 517.928,960 116.346,961 110.512,964 517.928,965 25.145,966 85.367,968 73.227,969 14.69,970 28.429,972 517.928,973 110.512,974 116.346,977 517.928,978 34.966,979 81.38,981 110.512,982 517.928,983 110.512,984 116.346,986 0.615,987 0.395,988 0.193,989 0.092,990 31,991 15,992 0.073,993 6,994 3,995 1.353,996 3.972,997 335.076,998 0.353,999 17,1000 158.465,1005 24.927,1006 8.488,1007 3.558,1009 110.512,1017 85.367,1018 744.787,1019 40,1024 12.783,1026 7.162,1028 4.367,1031 77.305,1032 89.178,1034 0.185,1035 0.441,1036 0.682,1037 0.826,1038 0.866,1039 0.866,1040 5.106,1041 1.866,1042 6.297,1043 6.256,1044 4.762,1045 4.934,1046 2.461,1047 7.372,1048 4.762,1049 6.37,1050 1.409,1051 8.054,1052 5.376,1053 4.934,1054 5.094,1055 2.036,1056 9.141,1057 4.943,1058 7.777,1059 1.391,1060 9.942,1061 3.695,1062 6.725,1063 7.031,1064 3.488,1065 12.327,1066 6.729,1067 9.222,1068 0.99,1069 11.909,1070 3.543,1071 7.678,1072 7.945,1073 3.746,1074 14.832,1075 7.688,1076 10.705,1077 0.79,1078 13.925,1079 2.294,1080 9.109,1081 9.488,1082 4.825,1083 17.73,1084 9.117,1085 12.212,1086 0.618,1087 15.973,1088 2.006,1089 10.327,1090 10.688,1091 5.379,1092 20.453,1093 10.338,1094 13.739,1095 0.418,1096 18.043,1097 1.008,1098 11.681,1099 12.121,1100 6.293,1101 23.293,1102 11.694,1103 3.981,1104 0.141,1105 20.129,1106 0.791,1107 12.987,1108 13.436,1109 6.973,1110 26.086,1111 13,1112 3.74,1113 17.489,1114 22.226,1115 0.291,1116 14.332,1117 14.841,1118 7.814,1119 28.918,1120 14.346,1121 3.158,1122 15.557,1123 24.332,1124 4.203,1125 15.668,1126 16.207,1127 8.548,1128 31.739,1129 15.683,1130 2.753,1131 12.365,1132 26.446,1133 3.83,1134 17.018,1135 17.608,1136 9.355,1137 34.574,1138 17.033,1139 2.447,1140 10.51,1141 28.566,1142 3.442,1143 18.367,1144 18.998,1145 10.114,1146 37.407,1147 18.383,1148 2.202,1149 7.19,1150 30.69,1151 3.06,1152 19.722,1153 20.403,1154 10.906,1155 40.247,1156 19.738,1157 1.911,1158 6.64,1159 32.818,1160 2.913,1161 21.078,1162 21.806,1163 11.675,1164 43.088,1165 21.095,1166 13228,1167 18205,1168 22.246,1169 48.876,1170 56.934,1171 58.364,1172 61.944,1173 55.591,1174 55.67,1175 60.6,1176 7.704,1177 190.101,1178 55.573,1179 6.037,1180 6.104,1181 8.307,1182 5.981,1183 5.981,1184 6.792,1185 3.677,1186 27.292,1187 5.981,1188 22.481,1189 1.581,1190 1.621,1191 1.721,1192 1.544,1193 1.546,1194 1.683,1195 0.214,1196 5.281,1197 1.544,1198 4.144,1199 4.175,1200 4.071,1201 4.089,1202 7.426,1203 4.081,1204 3.93,1205 3.968,1206 3.836,1207 3.849,1208 6.471,1209 3.84,1210 3.783,1211 3.825,1212 3.675,1213 3.681,1214 6.443,1215 3.673,1216 3.616,1217 3.658,1218 3.509,1219 3.507,1220 4.658,1221 3.501,1222 3.481,1223 3.543,1224 3.327,1225 3.353,1226 4.337,1227 3.338,1228 3.41,1229 3.474,1230 3.249,1231 3.285,1232 4.252,1233 3.268,1234 3.321,1235 3.4,1236 3.122,1237 3.182,1238 4.097,1239 3.157,1240 3.186,1241 3.265,1242 2.996,1243 3.01,1244 3.997,1245 2.994,1246 0.14,1247 0.116,1248 0.241,1249 0.138,1250 0.111,1251 5.037,1252 0.117,1253 4.162,1254 0.061,1255 8.689,1256 0.486,1257 4.981,1258 0.111,1259 3.981,1260 4.203,1261 2.178,1262 17.489,1263 3.981,1264 2.072,1265 2.047,1266 2.196,1267 2.151,1268 1.597,1269 2.167,1270 1.876,1271 1.837,1272 2.063,1273 1.995,1274 1.47,1275 2.019,1276 1.792,1277 1.752,1278 1.981,1279 1.92,1280 1.334,1281 1.941,1282 1.673,1283 1.63,1284 1.878,1285 1.827,1286 1.165,1287 1.846,1288 1.503,1289 1.447,1290 1.774,1291 1.67,1292 1.017,1293 1.708,1294 1.435,1295 1.374,1296 1.719,1297 1.623,1298 0.967,1299 1.659,1300 1.402,1301 1.334,1302 1.677,1303 1.585,1304 0.935,1305 1.619,1306 1.223,1307 1.15,1308 1.548,1309 1.433,1310 0.751,1311 1.475,1312 4.29,1314 5.72,1315 2.398,1316 7.376,1317 4.949,1318 9.142,1319 7.248,1320 10.969,1322 14.322,1327 18.665,1328 8.336,1332 1.695,1334 0.337,1340 44.261,1341 91.953,1342 219.81,1343 339.43,1344 411.469,1345 431.469,1346 431.469,1347 89.854,1348 8.428,1349 57.53,1350 57.53,1351 23,1352 13.421,1353 2.322,1354 2.322,1355 54.466,1356 135,1357 163,1358 0.204,1359 269.246,1360 493.93,1361 648.721,1362 52417,1364 24.234,1365 0.734,1366 0.662,1367 24.234,1368 21.838,1369 15.453,1370 0.429,1371 0.369,1372 13.243,1373 15.222,1374 12.578,1375 10.443,1376 15.453,1377 13.3,1378 15.219,1379 0.262,1380 0.223,1381 15.219,1382 12.918,1383 14.184,1384 0.165,1385 0.13,1386 14.184,1387 11.2,1388 11.27,1389 0.099,1390 0.076,1391 11.27,1392 8.69,1393 8.494,1394 0.058,1395 0.042,1396 8.494,1397 6.108,1398 0.316,1399 94.707,1400 0.212,1401 30.149,1402 0.576,1403 188,1404 342.035,1405 192.982,1406 335.944,1407 460.65,1408 314,1409 238,1410 330.667,1411 242.983,1412 346.609,1413 515.54,1414 324,1415 4.661}
{0 CHEMBL1915762,1 1.144,2 11.424,3 5.607,4 31.441,5 138.007,6 5.528,8 4.454,9 4.593,10 3.744,11 3.985,12 5.293,13 3.894,14 5.117,15 5.322,16 4.265,17 4.523,18 5.847,19 4.414,20 5.56,21 5.765,22 4.515,23 4.884,24 6.417,25 4.743,26 5.905,27 6.174,28 4.445,29 5.049,30 6.611,31 4.839,32 5.955,33 6.273,34 4.276,35 4.987,36 6.54,37 4.73,38 5.812,39 6.136,40 4.149,41 4.814,42 6.404,43 4.566,44 5.645,45 5.949,46 4.09,47 4.692,48 6.274,49 4.464,50 5.61,51 5.916,52 4.068,53 4.62,54 6.313,55 4.403,56 0.117,57 1.096,58 21.552,59 9.557,60 15.302,61 13.206,62 0.212,63 1.968,64 39.64,65 17.224,66 24.492,67 24.07,68 0.518,69 2.938,70 61.557,71 25.656,72 77.357,73 36.031,74 0.604,75 3.739,76 80.43,77 32.891,78 83.403,79 46.954,80 0.489,81 3.711,82 79.68,83 32.959,84 72.998,85 47.67,86 0.488,87 3.134,88 68.861,89 27.734,90 68.467,91 40.161,92 0.417,93 2.724,94 59.778,95 24.006,96 54.502,97 34.601,98 0.469,99 2.556,100 57.989,101 22.392,102 68.028,103 32.305,104 127,105 61,106 0.177,107 0.4,108 0.623,109 0.8,110 0.856,111 0.856,112 3.533,113 1.132,114 -6.38,115 -6.22,116 -5.77,121 36.1,122 8,123 8,124 3,125 4,129 2,132 1,137 2,138 2,176 27,185 5,187 46,196 1,197 8,200 60,211 4,214 53,224 6,227 39,237 6,239 32,249 8,251 25,261 10,264 24,274 8,277 15,281 1744,282 20.356,283 20.356,284 20.356,285 20.356,286 20.356,287 19.927,288 18.428,289 10.628,290 20.465,291 17.541,292 17.541,293 17.541,294 17.541,295 17.541,296 16.869,297 18.028,298 4.813,299 17.767,300 5.231,301 3.794,302 2.353,303 1.208,304 0.844,305 0.844,306 4.207,312 1,313 796,314 5.339,317 54.509,318 183.881,321 90.117,322 203.442,325 2.073,326 34.021,329 0.75,330 0.67,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.85,337 69,338 377,339 5.036,340 4.116,341 8.689,342 4.981,343 3.981,344 4.2,346 17.489,347 3.98,348 4.756,349 3.838,350 8.115,351 4.738,352 3.74,353 3.783,355 15.557,356 3.73,357 4.286,358 3.532,359 7.352,360 4.238,361 3.285,362 3.327,364 12.365,365 3.138,366 4.236,367 3.294,368 7.053,369 4.152,370 3.158,371 3.285,373 11.338,374 3.117,375 3.828,376 2.871,377 6.846,378 3.749,379 2.75,380 2.899,382 10.51,383 2.748,384 3.324,385 2.296,386 5.884,387 3.216,388 2.217,389 2.351,391 7.19,392 2.214,393 3.166,394 2.121,395 5.553,396 2.899,397 1.911,398 2.196,400 6.264,401 1.893,402 2.908,403 2.007,404 5.189,405 2.851,406 1.866,407 1.906,409 5.377,410 1.828,411 2.661,412 1.914,413 4.508,414 2.586,415 1.625,416 1.642,418 4.322,419 1.556,420 2.598,421 1.665,422 4.419,423 2.386,424 1.394,425 1.563,427 3.691,428 1.381,429 2.207,430 1.277,431 4.197,432 2.18,433 1.198,434 1.204,436 3.146,437 1.171,438 1.949,439 1.061,440 3.899,441 1.812,442 0.817,443 0.879,445 2.226,446 0.812,447 1.449,448 0.688,449 3.736,450 1.379,451 0.421,452 0.426,454 1.019,455 0.399,456 1.339,457 0.506,458 3.418,459 1.283,460 0.32,461 0.323,463 0.727,464 0.306,465 1.138,466 0.165,467 3.257,468 1.025,469 0.034,470 0.036,472 0.091,473 0.033,474 16,475 0.485,476 1.67,477 0.051,478 21.75,479 0.659,480 3,481 0.091,482 18.75,483 0.568,484 63.69,485 1.93,486 40.4,487 0.487,488 10.987,489 0.333,490 1.958,491 0.059,492 13.13,493 0.398,494 0.313,495 0.156,496 0.219,501 0.99,502 1.244,503 1.171,504 1.243,505 1.122,506 1.224,507 0.701,508 1.039,509 0.896,510 1.031,511 0.681,512 0.986,513 1.04,514 1.268,515 1.223,516 1.269,517 0.996,518 1.262,519 1.017,520 1.142,521 1.192,522 1.153,523 1.012,524 1.183,525 0.456,526 1.036,527 0.939,528 1.041,529 0.454,530 1.033,531 0.641,532 0.916,533 0.875,534 0.919,535 0.633,536 0.918,537 0.729,538 1.041,539 0.963,540 1.041,541 0.747,542 1.024,543 1.001,544 0.973,545 0.942,546 0.968,547 0.98,548 0.952,549 12.5,550 0.248,551 9.556,552 5.229,553 3.659,554 1.858,555 1.274,556 1.036,557 0.663,558 0.336,559 12983,560 21539,561 1.922,562 60.2,563 33,564 4,567 3,569 10,572 1.754,573 1.685,574 3.418,575 0.681,582 94.974,583 1.144,584 2.581,585 4.022,586 5.167,587 5.531,588 5.531,589 2.965,590 4.597,591 5.009,592 3.64,593 1922.11,594 8.787,595 26799.3,600 529.128,601 1.937,602 4.874,603 0.347,604 0.011,605 0.157,606 0.072,607 0.058,608 0.036,609 0.028,610 0.024,611 0.016,612 0.012,613 0.761,614 0.33,615 0.88,616 1.445,617 171.446,618 -0.071,619 0.117,620 0.027,621 0.111,622 -0.177,623 0.081,624 0.042,625 0.185,626 0.2,627 0.191,628 0.045,629 0.207,630 0.004,631 -0.071,632 -0.107,633 -0.078,634 0.055,635 -0.099,636 -0.115,637 -0.084,638 -0.175,639 -0.095,640 -0.106,641 -0.135,642 0.024,643 -0.061,644 -0.022,645 -0.058,646 0.02,647 -0.046,648 0.016,649 0.031,650 0.047,651 0.033,652 0.011,653 0.042,654 0.014,655 -0.055,656 -0.007,657 -0.051,658 -0.012,659 -0.033,660 0.003,661 -0.012,662 0.033,663 -0.006,664 0.02,665 0.013,666 2.281,667 4.79,668 0.515,669 35.28,670 0.977,671 1.133,672 5.155,673 26.574,674 0.607,675 3.611,676 4.127,677 4.477,678 4.736,679 5.004,680 5.242,681 5.485,682 5.697,683 5.829,684 5.932,685 6.73,686 0.546,687 458.8,688 3.611,689 5.273,690 6.196,691 7.168,692 8.117,693 9.092,694 10.053,695 11.032,696 12,697 12.982,741 83,743 2,745 36,747 86,748 30,752 4,756 4,757 10,763 8,764 4,766 4,767 7,768 2,770 10,772 4,773 26,774 4,777 2,784 2,786 2,793 50,794 3,795 3,796 3,808 0.25,809 3,811 2,812 1,828 1,829 3,832 1,833 2,849 2,850 2,857 3,859 1,864 8,868 33,875 3,876 8,880 5,882 5,893 3.6,894 3,901 19.583,902 16.683,903 6.66,904 5.503,907 0.816,908 1.097,909 0.831,910 6.122,911 9.244,912 3.664,913 4.22,914 4.654,915 5.011,916 5.375,917 5.71,918 6.047,919 6.312,920 6.497,921 6.668,922 0.875,923 73,924 12.479,926 5.617,927 0.026,929 7.508,931 25.179,933 23.497,936 2.008,937 66.25,941 553.242,942 116.202,945 128.05,948 116.202,949 681.292,951 70.602,952 20.276,953 147.003,955 6.371,957 553.242,959 553.242,960 116.202,961 128.05,964 435.531,965 117.711,966 128.05,968 90.878,969 6.371,970 18.952,972 553.242,973 128.05,974 116.202,977 553.242,978 26.647,979 89.554,981 128.05,982 553.242,983 128.05,984 116.202,986 0.64,987 0.392,988 0.177,989 0.09,990 34,991 17,992 0.058,993 5,994 3,995 1.353,996 3.875,997 340.459,998 0.353,999 17,1000 162.465,1005 25.456,1006 7.936,1007 3.626,1009 128.05,1017 128.05,1018 797.493,1019 38,1026 5.171,1028 3.22,1031 81.072,1032 94.008,1034 0.179,1035 0.405,1036 0.631,1037 0.81,1038 0.868,1039 0.868,1040 5.106,1041 1.866,1042 6.365,1043 6.264,1044 4.812,1045 4.905,1047 7.452,1048 4.789,1049 6.392,1050 1.625,1051 8.137,1052 5.377,1053 5.094,1054 5.165,1056 9.242,1057 5.056,1058 7.813,1059 1.394,1060 10.034,1061 4.322,1062 6.819,1063 6.995,1065 12.397,1066 6.782,1067 9.267,1068 1.198,1069 12.004,1070 3.691,1071 7.812,1072 7.962,1074 14.89,1075 7.766,1076 10.754,1077 0.817,1078 14.018,1079 3.146,1080 9.218,1081 9.458,1083 17.772,1084 9.172,1085 12.264,1086 0.421,1087 16.06,1088 2.226,1089 10.44,1090 10.679,1092 20.482,1093 10.39,1094 13.79,1095 0.32,1096 18.122,1097 1.019,1098 11.78,1099 12.091,1101 23.313,1102 11.732,1103 3.981,1104 0.034,1105 20.2,1106 0.727,1107 13.077,1108 13.412,1110 26.1,1111 13.029,1112 3.74,1113 17.489,1114 22.289,1115 0.091,1116 14.411,1117 14.806,1119 28.928,1120 14.365,1121 3.285,1122 15.557,1123 24.387,1124 4.2,1125 15.738,1126 16.172,1128 31.745,1129 15.694,1130 3.158,1131 12.365,1132 26.493,1133 3.783,1134 17.078,1135 17.568,1137 34.578,1138 17.036,1139 2.75,1140 11.338,1141 28.606,1142 3.327,1143 18.419,1144 18.957,1146 37.41,1147 18.379,1148 2.217,1149 10.51,1150 30.724,1151 3.285,1152 19.767,1153 20.36,1155 40.249,1156 19.729,1157 1.911,1158 7.19,1159 32.847,1160 2.899,1161 21.116,1162 21.762,1164 43.089,1165 21.081,1166 12875,1167 16551,1168 21.553,1169 50.398,1170 58.097,1171 58.282,1172 62.826,1173 57.45,1174 57.436,1175 60.038,1177 202.621,1178 56.614,1179 6.036,1180 6.116,1181 8.001,1182 5.981,1183 5.981,1184 6.789,1186 27.292,1187 5.98,1188 24.834,1189 1.614,1190 1.619,1191 1.745,1192 1.596,1193 1.595,1194 1.668,1196 5.628,1197 1.573,1198 4.145,1199 4.177,1200 4.07,1201 4.089,1202 6.493,1203 4.081,1204 3.929,1205 3.97,1206 3.827,1207 3.849,1208 6.448,1209 3.838,1210 3.799,1211 3.84,1212 3.681,1213 3.666,1214 6.4,1215 3.662,1216 3.623,1217 3.672,1218 3.5,1219 3.507,1220 4.658,1221 3.499,1222 3.487,1223 3.552,1224 3.325,1225 3.361,1226 4.325,1227 3.343,1228 3.412,1229 3.479,1230 3.247,1231 3.289,1232 4.162,1233 3.27,1234 3.321,1235 3.4,1236 3.122,1237 3.182,1238 4.03,1239 3.157,1240 3.215,1241 3.298,1242 3.006,1243 3.037,1244 3.979,1245 3.016,1246 0.14,1247 0.114,1248 0.241,1249 0.138,1250 0.111,1251 5.036,1252 0.117,1253 4.116,1255 8.689,1256 0.486,1257 4.981,1258 0.111,1259 3.981,1260 4.2,1262 17.489,1263 3.98,1264 2.074,1265 2.048,1266 2.202,1267 2.153,1268 1.616,1269 2.171,1270 1.877,1271 1.837,1272 2.067,1273 2.004,1274 1.485,1275 2.026,1276 1.793,1277 1.751,1278 1.991,1279 1.936,1280 1.353,1281 1.955,1282 1.682,1283 1.635,1284 1.912,1285 1.851,1286 1.214,1287 1.874,1288 1.507,1289 1.449,1290 1.778,1291 1.673,1292 1.026,1293 1.712,1294 1.451,1295 1.386,1296 1.744,1297 1.636,1298 1,1299 1.676,1300 1.409,1301 1.34,1302 1.69,1303 1.594,1304 0.985,1305 1.63,1306 1.24,1307 1.164,1308 1.577,1309 1.459,1310 0.772,1311 1.502,1312 4.29,1314 5.759,1315 2.398,1316 7.431,1317 4.949,1318 9.2,1319 7.248,1320 11.023,1322 17.907,1327 31.346,1328 8.312,1332 0.787,1334 -0.493,1340 45.314,1341 94.974,1342 214.22,1343 333.805,1344 428.825,1345 459.089,1346 459.089,1347 98.748,1348 8.428,1349 60.69,1350 60.69,1351 23,1352 13.454,1353 1.585,1354 1.585,1355 54.394,1356 132,1357 136,1358 0.21,1359 275.101,1360 499.21,1361 663.007,1362 51697,1364 24.613,1365 0.746,1366 0.683,1367 24.613,1368 22.54,1369 15.088,1370 0.419,1371 0.377,1372 13.539,1373 14.888,1374 12.776,1375 10.632,1376 15.088,1377 13.59,1378 16.45,1379 0.27,1380 0.232,1381 16.45,1382 14.14,1383 14.29,1384 0.164,1385 0.134,1386 14.29,1387 11.683,1388 10.791,1389 0.095,1390 0.079,1391 10.791,1392 8.919,1393 8.471,1394 0.057,1395 0.043,1396 8.471,1397 6.394,1398 0.323,1399 92.182,1400 0.215,1401 29.947,1402 0.598,1403 194,1404 314.449,1405 200.976,1406 312.925,1407 433.1,1408 290,1409 245,1410 323.576,1411 251.755,1412 338.696,1413 504.12,1414 316,1415 4.789}
{0 CHEMBL1915763,1 1.196,2 12.118,3 4.68,4 21.898,5 138.729,6 5.766,8 4.448,9 4.58,10 3.772,11 3.979,12 5.336,13 3.897,14 5.104,15 5.303,16 4.281,17 4.514,18 5.872,19 4.414,20 5.543,21 5.741,22 4.555,23 4.869,24 6.486,25 4.742,26 5.879,27 6.132,28 4.481,29 5.031,30 6.693,31 4.837,32 5.938,33 6.25,34 4.294,35 4.973,36 6.575,37 4.726,38 5.796,39 6.116,40 4.166,41 4.799,42 6.424,43 4.56,44 5.629,45 5.928,46 4.128,47 4.679,48 6.304,49 4.464,50 5.602,51 5.898,52 4.112,53 4.609,54 6.372,55 4.408,56 0.11,57 1.081,58 20.97,59 9.379,60 16.926,61 12.801,62 0.21,63 1.939,64 38.887,65 16.899,66 28.514,67 23.428,68 0.614,69 2.882,70 60.653,71 25.069,72 100.771,73 34.966,74 0.803,75 3.655,76 80.666,77 32.008,78 126.84,79 45.55,80 0.566,81 3.665,82 80.997,83 32.508,84 92.079,85 47.226,86 0.551,87 3.097,88 70.017,89 27.402,90 85.988,91 39.891,92 0.453,93 2.692,94 60.544,95 23.688,96 67.863,97 34.238,98 0.549,99 2.532,100 59.481,101 22.084,102 86.923,103 31.906,104 128,105 62,106 0.185,107 0.428,108 0.666,109 0.827,110 0.872,111 0.872,112 3.561,113 1.104,114 -5.48,115 -5.36,116 -5,121 36.6,122 7,123 8,124 3,125 4,127 1,129 1,132 1,137 2,138 2,158 1,176 27,180 2,185 2,187 45,192 4,196 2,197 4,200 59,206 2,210 1,211 3,214 52,219 3,224 4,227 38,232 2,237 5,239 30,244 2,249 8,251 23,256 3,261 9,264 20,269 3,274 9,277 12,281 1908,282 21.279,283 21.279,284 21.279,285 21.279,286 21.279,287 20.733,288 22.803,289 11.081,290 21.338,291 17.917,292 17.917,293 17.917,294 17.917,295 17.917,296 16.992,297 29.173,298 4.911,299 18.055,300 5.162,301 3.59,302 2.055,303 1.016,304 0.723,305 0.723,306 4.236,312 1,313 870,314 5.431,317 57.043,318 193.476,321 94.52,322 214.108,325 2.125,326 41.826,329 0.75,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.94,337 72,338 412,339 5.037,340 4.162,341 8.689,342 4.981,343 3.981,344 4.203,345 2.178,346 17.489,347 3.981,348 4.774,349 4.046,350 8.115,351 4.743,352 3.74,353 3.83,355 15.557,356 3.751,357 4.344,358 3.603,359 7.352,360 4.295,361 3.344,362 3.442,364 12.365,365 3.182,366 4.284,367 3.595,368 7.24,369 4.166,370 3.158,371 3.344,373 12.065,374 3.167,375 3.835,376 2.887,377 6.846,378 3.751,379 2.751,380 2.916,382 10.51,383 2.751,384 3.327,385 2.669,386 5.884,387 3.218,388 2.219,389 2.356,391 7.191,392 2.216,393 3.215,394 2.298,395 5.553,396 2.934,397 1.911,398 2.264,400 6.265,401 1.953,402 3.05,403 2.018,404 5.189,405 2.875,406 1.866,407 2.056,409 5.377,410 1.877,411 2.718,412 1.975,413 4.663,414 2.625,415 1.669,416 1.693,418 4.457,419 1.59,420 2.64,421 1.773,422 4.451,423 2.402,424 1.394,425 1.603,427 3.691,428 1.404,429 2.223,430 1.291,431 4.258,432 2.196,433 1.212,434 1.219,436 3.178,437 1.188,438 1.996,439 1.157,440 3.899,441 1.82,442 0.819,443 0.894,445 2.227,446 0.819,447 1.659,448 1.095,449 3.737,450 1.465,451 0.444,452 0.482,454 1.022,455 0.438,456 1.45,457 1.052,458 3.419,459 1.358,460 0.413,461 0.436,463 0.799,464 0.391,465 1.289,466 0.506,467 3.272,468 1.155,469 0.257,470 0.26,472 0.423,473 0.23,474 16.333,475 0.48,476 1.609,477 0.047,478 24,479 0.706,480 4.5,481 0.132,482 19.5,483 0.574,484 62.652,485 1.843,486 41.267,487 0.503,488 14.837,489 0.436,490 2.648,491 0.078,492 13.001,493 0.382,494 0.296,495 0.153,496 0.214,501 0.867,502 1.227,503 1.102,504 1.225,505 0.908,506 1.193,507 0.662,508 1.027,509 0.868,510 1.02,511 0.653,512 0.973,513 0.842,514 1.249,515 1.145,516 1.251,517 0.826,518 1.234,519 0.987,520 1.156,521 1.215,522 1.171,523 1.012,524 1.212,525 0.486,526 1.032,527 0.937,528 1.041,529 0.486,530 1.039,531 0.59,532 0.905,533 0.855,534 0.911,535 0.599,536 0.912,537 0.666,538 1.035,539 0.93,540 1.036,541 0.653,542 1.015,543 0.997,544 0.962,545 0.942,546 0.958,547 0.966,548 0.946,549 12.5,550 0.256,551 10,552 5.354,553 3.659,554 1.858,555 1.314,556 1.036,557 0.688,558 0.381,559 14234,560 27635,561 1.924,562 58.5,563 33,564 5,567 3,568 2,569 5,572 1.761,573 1.693,574 3.491,575 0.694,582 98.034,583 1.196,584 2.768,585 4.303,586 5.342,587 5.635,588 5.635,589 3.035,590 4.911,591 5.052,592 3.696,593 2073.27,594 8.87,595 29724.9,600 521.319,601 1.93,602 4.922,603 0.338,604 0.01,605 0.161,606 0.07,607 0.056,608 0.036,609 0.028,610 0.023,611 0.016,612 0.012,613 0.75,614 0.17,615 0.75,616 1.574,617 178.839,618 -0.066,619 0.117,620 0.022,621 0.112,622 -0.12,623 0.08,624 0.019,625 0.188,626 0.179,627 0.194,628 0.006,629 0.203,630 0.073,631 -0.062,632 -0.078,633 -0.07,634 0.098,635 -0.088,636 -0.079,637 -0.094,638 -0.206,639 -0.11,640 -0.07,641 -0.165,642 0.016,643 -0.059,644 -0.027,645 -0.057,646 0.013,647 -0.048,648 0.017,649 0.039,650 0.058,651 0.042,652 0.01,653 0.053,654 0.02,655 -0.052,656 0.012,657 -0.046,658 0.001,659 -0.021,660 -0.017,661 -0.004,662 0.032,663 0.001,664 -0.012,665 0.019,666 2.69,667 5.791,668 0.5,669 37.439,670 0.982,671 1.132,672 4.25,673 18.066,674 0.611,675 3.638,676 4.143,677 4.511,678 4.754,679 5.011,680 5.247,681 5.493,682 5.704,683 5.841,684 5.945,685 6.969,686 0.555,687 472.78,688 3.638,689 5.293,690 6.221,691 7.188,692 8.138,693 9.11,694 10.071,695 11.048,696 12.016,697 12.996,741 82,743 3,745 37,747 85,748 30,752 4,756 4,757 10,763 8,764 4,766 4,767 6,768 2,770 9,772 5,773 25,774 4,777 3,782 1,784 2,786 3,793 48,794 4,795 3,796 4,808 0.25,809 4,810 1,811 1,812 1,828 1,829 3,832 1,833 2,841 1,849 2,850 2,857 3,859 1,864 7,868 34,875 3,876 9,880 4,882 5,893 4.9,894 3,896 1,901 20.083,902 16.267,903 7.035,904 5.39,907 0.889,908 1.105,909 0.837,910 6.363,911 9.37,912 3.714,913 4.263,914 4.718,915 5.043,916 5.412,917 5.749,918 6.091,919 6.365,920 6.564,921 6.741,922 1,923 76,924 12.881,926 5.855,927 0.026,929 7.65,931 25.575,933 23.711,936 2.15,937 73.083,941 529.7,942 112.51,945 153.195,948 112.51,949 682.895,951 61.776,952 20.276,953 147.003,954 30.278,955 6.371,957 529.7,959 529.7,960 112.51,961 153.195,964 470.844,965 84,966 128.05,968 82.053,969 11.505,970 18.952,972 529.7,973 153.195,974 112.51,977 529.7,978 31.781,979 80.729,981 153.195,982 529.7,983 153.195,984 112.51,986 0.635,987 0.403,988 0.181,989 0.088,990 34,991 17,992 0.071,993 6,994 3,995 1.353,996 3.956,997 352.566,998 0.353,999 17,1000 170.974,1005 26.112,1006 8.285,1007 3.65,1009 153.195,1017 128.05,1018 795.404,1019 40,1024 12.791,1026 5.049,1028 3.52,1031 80.516,1032 92.802,1034 0.188,1035 0.435,1036 0.677,1037 0.84,1038 0.886,1039 0.886,1040 5.142,1041 1.866,1042 6.382,1043 6.265,1044 4.828,1045 4.949,1046 2.134,1047 7.469,1048 4.815,1049 6.425,1050 1.669,1051 8.155,1052 5.377,1053 5.094,1054 5.198,1055 2.036,1056 9.264,1057 5.071,1058 7.846,1059 1.394,1060 10.053,1061 4.457,1062 6.834,1063 7.05,1064 3.359,1065 12.418,1066 6.812,1067 9.3,1068 1.212,1069 12.023,1070 3.691,1071 7.824,1072 8.02,1073 3.746,1074 14.912,1075 7.795,1076 10.789,1077 0.819,1078 14.037,1079 3.178,1080 9.234,1081 9.521,1082 4.781,1083 17.79,1084 9.205,1085 12.3,1086 0.444,1087 16.08,1088 2.227,1089 10.455,1090 10.746,1091 5.379,1092 20.499,1093 10.424,1094 13.827,1095 0.413,1096 18.142,1097 1.022,1098 11.796,1099 12.159,1100 6.279,1101 23.326,1102 11.766,1103 3.981,1104 0.257,1105 20.219,1106 0.799,1107 13.093,1108 13.481,1109 6.973,1110 26.111,1111 13.065,1112 3.74,1113 17.489,1114 22.308,1115 0.423,1116 14.427,1117 14.876,1118 7.81,1119 28.936,1120 14.401,1121 3.344,1122 15.557,1123 24.405,1124 4.203,1125 15.753,1126 16.241,1127 8.548,1128 31.752,1129 15.729,1130 3.158,1131 12.365,1132 26.511,1133 3.83,1134 17.092,1135 17.636,1136 9.354,1137 34.583,1138 17.072,1139 2.751,1140 12.065,1141 28.622,1142 3.442,1143 18.433,1144 19.023,1145 10.114,1146 37.414,1147 18.415,1148 2.219,1149 10.51,1150 30.739,1151 3.344,1152 19.779,1153 20.424,1154 10.905,1155 40.251,1156 19.765,1157 1.911,1158 7.191,1159 32.861,1160 2.916,1161 21.128,1162 21.824,1163 11.675,1164 43.091,1165 21.117,1166 14112,1167 19643,1168 22.246,1169 50.092,1170 59.395,1171 60.906,1172 64.751,1173 58.373,1174 58.425,1175 62.065,1176 4.357,1177 205.405,1178 57.942,1179 6.037,1180 6.138,1181 8.057,1182 5.981,1183 5.981,1184 6.792,1185 3.677,1186 27.292,1187 5.981,1188 25.353,1189 1.605,1190 1.646,1191 1.75,1192 1.578,1193 1.579,1194 1.677,1195 0.118,1196 5.551,1197 1.566,1198 4.145,1199 4.175,1200 4.071,1201 4.089,1202 7.426,1203 4.081,1204 3.93,1205 3.968,1206 3.836,1207 3.848,1208 6.519,1209 3.84,1210 3.804,1211 3.84,1212 3.695,1213 3.665,1214 6.439,1215 3.664,1216 3.626,1217 3.67,1218 3.516,1219 3.506,1220 6.386,1221 3.502,1222 3.49,1223 3.551,1224 3.337,1225 3.36,1226 4.657,1227 3.346,1228 3.412,1229 3.477,1230 3.251,1231 3.288,1232 4.319,1233 3.271,1234 3.321,1235 3.4,1236 3.123,1237 3.182,1238 4.152,1239 3.157,1240 3.224,1241 3.299,1242 3.033,1243 3.036,1244 4.022,1245 3.02,1246 0.136,1247 0.112,1248 0.235,1249 0.135,1250 0.108,1251 5.037,1252 0.114,1253 4.162,1254 0.059,1255 8.689,1256 0.473,1257 4.981,1258 0.108,1259 3.981,1260 4.203,1261 2.178,1262 17.489,1263 3.981,1264 2.072,1265 2.047,1266 2.196,1267 2.151,1268 1.597,1269 2.167,1270 1.875,1271 1.836,1272 2.063,1273 2.002,1274 1.476,1275 2.023,1276 1.789,1277 1.749,1278 1.981,1279 1.933,1280 1.341,1281 1.948,1282 1.676,1283 1.634,1284 1.893,1285 1.851,1286 1.219,1287 1.868,1288 1.504,1289 1.447,1290 1.775,1291 1.671,1292 1.023,1293 1.71,1294 1.447,1295 1.385,1296 1.736,1297 1.636,1298 0.994,1299 1.673,1300 1.405,1301 1.339,1302 1.677,1303 1.586,1304 0.937,1305 1.62,1306 1.238,1307 1.164,1308 1.571,1309 1.463,1310 0.77,1311 1.501,1312 4.317,1314 5.778,1315 2.398,1316 7.449,1317 4.949,1318 9.219,1319 7.248,1320 11.041,1322 15.56,1327 30.021,1328 7.02,1332 0.455,1334 -1.332,1340 45.502,1341 98.034,1342 226.954,1343 352.842,1344 438.035,1345 462.035,1346 462.035,1347 110.073,1348 8.481,1349 77.76,1350 77.76,1351 23,1352 13.469,1353 2,1354 2,1355 56.981,1356 141,1357 160,1358 0.205,1359 276.17,1360 505.36,1361 665.615,1362 55617,1364 25.32,1365 0.745,1366 0.664,1367 25.32,1368 22.578,1369 15.649,1370 0.423,1371 0.368,1372 13.544,1373 15.377,1374 12.838,1375 10.637,1376 15.649,1377 13.612,1378 16.426,1379 0.265,1380 0.222,1381 16.426,1382 13.771,1383 15.057,1384 0.167,1385 0.13,1386 15.057,1387 11.673,1388 11.097,1389 0.096,1390 0.077,1391 11.097,1392 8.798,1393 8.549,1394 0.057,1395 0.042,1396 8.549,1397 6.242,1398 0.317,1399 96.253,1400 0.212,1401 30.776,1402 0.579,1403 198,1404 372.185,1405 206.415,1406 362.957,1407 492.18,1408 336,1409 251,1410 355.455,1411 259.859,1412 369.385,1413 549.64,1414 345,1415 4.652}
{0 CHEMBL1915764,1 1.154,2 11.97,3 5.888,4 34.666,5 137.012,6 5.639,8 4.428,9 4.565,10 3.74,11 3.974,12 5.277,13 3.884,14 5.091,15 5.298,16 4.226,17 4.505,18 5.81,19 4.392,20 5.505,21 5.712,22 4.496,23 4.86,24 6.281,25 4.72,26 5.859,27 6.116,28 4.509,29 5.037,30 6.585,31 4.845,32 5.977,33 6.282,34 4.401,35 5.001,36 6.678,37 4.771,38 5.844,39 6.152,40 4.182,41 4.821,42 6.604,43 4.587,44 5.628,45 5.939,46 4.036,47 4.668,48 6.259,49 4.432,50 5.532,51 5.837,52 3.961,53 4.562,54 6.209,55 4.337,56 0.102,57 1.069,58 20.729,59 9.339,60 13.494,61 12.861,62 0.203,63 1.919,64 38.216,65 16.833,66 22.604,67 23.473,68 0.31,69 2.843,70 57.597,71 24.923,72 45.321,73 34.907,74 0.542,75 3.671,76 78.338,77 32.231,78 73.21,79 45.771,80 0.615,81 3.795,82 84.237,83 33.391,84 93.554,85 48.076,86 0.795,87 3.203,88 73.697,89 28.072,90 126.7,91 40.44,92 0.405,93 2.697,94 58.791,95 23.84,96 59.578,97 34.355,98 0.423,99 2.423,100 53.87,101 21.31,102 61.319,103 30.652,104 107,105 59,106 0.179,107 0.414,108 0.68,109 0.821,110 0.867,111 0.867,112 3.533,113 1.129,114 -6.29,115 -6.13,116 -5.69,121 37,122 7,123 9,124 3,125 4,127 1,129 1,137 1,138 3,158 1,176 28,180 2,185 3,187 45,192 3,197 6,200 55,206 6,211 3,214 47,219 8,224 3,227 40,232 2,235 1,237 3,239 34,244 2,249 4,251 29,256 1,261 5,264 24,269 1,274 7,277 15,281 1767,282 20.961,283 20.961,284 20.961,285 20.961,286 20.961,287 20.3,288 22.501,289 11.272,290 20.98,291 17.505,292 17.505,293 17.505,294 17.505,295 17.505,296 16.366,297 26.76,298 5.087,299 17.556,300 5.186,301 3.675,302 1.958,303 1.05,304 0.757,305 0.757,306 4.211,312 1,313 837,314 5,317 53.702,318 180.94,321 88.727,322 200.687,325 2.033,326 34.634,329 0.75,330 0.67,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.85,337 69,338 395,339 5.065,340 4.187,341 8.702,342 4.995,343 3.994,344 4.283,345 1.277,346 17.592,347 3.997,348 4.755,349 3.852,350 8.12,351 4.74,352 3.743,353 3.771,354 1.023,355 15.583,356 3.734,357 4.267,358 3.47,359 7.366,360 4.163,361 3.169,362 3.373,363 0.68,364 12.438,365 3.151,366 3.882,367 3.3,368 6.921,369 3.809,370 2.804,371 2.988,373 10.819,374 2.819,375 3.735,376 2.847,377 6.01,378 3.397,379 2.39,380 2.938,382 7.651,383 2.41,384 3.476,385 2.76,386 5.601,387 3.297,388 2.295,389 2.524,391 6.292,392 2.292,393 3.138,394 2.212,395 5.387,396 3.022,397 2.014,398 2.158,400 6.209,401 2.028,402 3.024,403 2.137,404 4.988,405 2.897,406 1.911,407 2.025,409 5.876,410 1.882,411 2.764,412 1.949,413 4.83,414 2.663,415 1.668,416 1.754,418 4.622,419 1.65,420 2.399,421 1.642,422 4.321,423 2.386,424 1.389,425 1.397,427 3.522,428 1.384,429 2,430 1.227,431 3.989,432 1.967,433 0.977,434 0.987,436 2.333,437 0.965,438 1.839,439 1.125,440 3.872,441 1.798,442 0.803,443 0.817,445 2.01,446 0.797,447 1.727,448 0.961,449 3.734,450 1.5,451 0.503,452 0.548,454 1.316,455 0.495,456 1.422,457 0.834,458 3.391,459 1.28,460 0.32,461 0.336,463 0.718,464 0.298,465 1.365,466 0.631,467 3.284,468 1.19,469 0.263,470 0.284,472 0.412,473 0.246,474 16,475 0.485,476 1.433,477 0.043,478 22.75,479 0.689,480 4,481 0.121,482 18.75,483 0.568,484 61.914,485 1.876,486 39.8,487 0.491,488 12.054,489 0.365,490 2.331,491 0.071,492 12.995,493 0.394,494 0.281,495 0.125,496 0.25,501 0.832,502 1.235,503 1.124,504 1.234,505 0.857,506 1.208,507 0.666,508 1.002,509 0.905,510 1,511 0.621,512 0.976,513 0.728,514 1.272,515 1.129,516 1.271,517 0.716,518 1.239,519 0.921,520 1.204,521 1.166,522 1.208,523 0.904,524 1.208,525 0.797,526 1.031,527 0.959,528 1.029,529 0.874,530 1.01,531 1.189,532 0.888,533 1.011,534 0.894,535 1.359,536 0.932,537 0.653,538 0.987,539 0.928,540 0.99,541 0.672,542 0.983,543 0.907,544 0.959,545 0.962,546 0.961,547 0.916,548 0.965,549 11,550 0.219,551 8.667,552 5.542,553 4.085,554 1.972,555 1.287,556 0.87,557 0.57,558 0.306,559 12767,560 22178,561 1.945,562 59.3,563 38,564 4,567 2,568 2,569 2,572 1.755,573 1.722,574 3.443,575 0.042,582 93.488,583 1.154,584 2.665,585 4.382,586 5.29,587 5.583,588 5.583,589 3.048,590 4.923,591 5.003,592 3.634,593 1918.95,594 8.788,595 26468.8,600 513.528,601 1.915,602 4.892,603 0.306,604 0.01,605 0.147,606 0.076,607 0.06,608 0.034,609 0.028,610 0.021,611 0.015,612 0.011,613 0.708,614 0.5,615 0.88,616 1.592,617 170.919,618 -0.048,619 0.099,620 0.032,621 0.095,622 -0.096,623 0.073,624 0.01,625 0.196,626 0.162,627 0.198,628 0.015,629 0.194,630 -0.014,631 -0.085,632 -0.064,633 -0.084,634 0.006,635 -0.079,636 -0.063,637 -0.134,638 -0.149,639 -0.139,640 -0.06,641 -0.15,642 0.016,643 -0.065,644 -0.004,645 -0.059,646 0.02,647 -0.036,648 -0.033,649 0.046,650 -0.033,651 0.038,652 -0.037,653 0.007,654 0.012,655 -0.02,656 0.009,657 -0.017,658 0.005,659 -0.006,660 -0.024,661 0.003,662 -0.001,663 0.004,664 -0.031,665 0.003,666 1.643,667 6.896,668 0.515,669 36.116,670 0.978,671 1.131,672 5.058,673 25.586,674 0.613,675 3.611,676 4.094,677 4.477,678 4.787,679 5.081,680 5.293,681 5.537,682 5.743,683 5.878,684 5.958,685 6.653,686 0.553,687 456.78,688 3.611,689 5.252,690 6.18,691 7.151,692 8.109,693 9.088,694 10.06,695 11.046,696 12.025,697 13.014,741 81,743 3,745 36,747 84,748 30,752 3,756 4,757 10,763 8,764 4,766 4,767 8,768 2,770 10,772 5,773 25,774 3,777 3,782 1,784 1,786 4,793 48,794 3,795 2,796 3,808 0.25,809 3,810 1,811 1,828 1,829 3,832 1,833 2,841 1,849 1,850 3,857 2,859 1,864 7,868 33,875 2,876 10,880 4,882 4,893 3.7,894 2,896 1,901 19.167,902 16.233,903 6.938,904 5.465,907 0.598,908 1.071,909 0.862,910 6.36,911 9.037,912 3.689,913 4.234,914 4.691,915 5.075,916 5.464,917 5.714,918 6.004,919 6.227,920 6.358,921 6.426,922 1,923 73,924 12.484,926 5.575,927 0.026,929 7.53,931 25.156,933 23.244,936 2.03,937 67,941 541.471,942 108.754,945 110.512,948 108.754,949 651.982,951 61.776,952 22.811,953 94.843,954 30.278,955 9.557,957 541.471,959 541.471,960 108.754,961 110.512,964 517.928,965 48.687,966 85.367,968 84.587,969 14.69,970 9.476,972 541.471,973 110.512,974 108.754,977 541.471,978 37.501,979 71.253,981 110.512,982 541.471,983 110.512,984 108.754,986 0.623,987 0.392,988 0.193,989 0.103,990 32,991 16,992 0.06,993 5,994 3,995 1.353,996 3.898,997 341.634,998 0.353,999 17,1000 164.465,1005 25.179,1006 8.335,1007 3.546,1009 110.512,1017 85.367,1018 760.736,1019 39,1024 13.896,1026 2.194,1028 4.137,1031 79.188,1032 91.593,1034 0.182,1035 0.42,1036 0.691,1037 0.834,1038 0.881,1039 0.881,1040 5.1,1041 1.911,1042 6.319,1043 6.209,1044 4.779,1045 4.92,1046 1.986,1047 7.401,1048 4.776,1049 6.368,1050 1.668,1051 8.079,1052 5.876,1053 4.977,1054 5.13,1056 9.163,1057 4.977,1058 7.78,1059 1.389,1060 9.968,1061 4.622,1062 6.746,1063 7.018,1064 2.191,1065 12.358,1066 6.743,1067 9.227,1068 0.977,1069 11.935,1070 3.522,1071 7.706,1072 7.966,1074 14.86,1075 7.703,1076 10.712,1077 0.803,1078 13.95,1079 2.333,1080 9.131,1081 9.494,1082 2.5,1083 17.764,1084 9.127,1085 12.221,1086 0.503,1087 15.996,1088 2.01,1089 10.351,1090 10.719,1092 20.489,1093 10.346,1094 13.75,1095 0.32,1096 18.066,1097 1.316,1098 11.705,1099 12.157,1100 2.873,1101 23.334,1102 11.7,1103 3.994,1104 0.263,1105 20.151,1106 0.718,1107 13.012,1108 13.494,1110 26.131,1111 13.007,1112 3.743,1113 17.592,1114 22.248,1115 0.412,1116 14.359,1117 14.914,1118 3.285,1119 28.968,1120 14.354,1121 3.169,1122 15.583,1123 24.354,1124 4.283,1125 15.698,1126 16.301,1128 31.795,1129 15.693,1130 2.804,1131 12.438,1132 26.468,1133 3.771,1134 17.049,1135 17.722,1136 3.724,1137 34.635,1138 17.045,1139 2.39,1140 10.819,1141 28.588,1142 3.373,1143 18.401,1144 19.134,1146 37.474,1147 18.397,1148 2.295,1149 7.651,1150 30.713,1151 2.988,1152 19.759,1153 20.562,1154 4.181,1155 40.32,1156 19.755,1157 2.014,1158 6.292,1159 32.842,1160 2.938,1161 21.118,1162 21.988,1164 43.167,1165 21.115,1166 12687,1167 16708,1168 21.959,1169 49.637,1170 57.217,1171 58.867,1172 62.7,1173 56.374,1174 56.48,1175 60.364,1176 5.962,1177 194.787,1178 56.298,1179 6.065,1180 6.187,1181 8.299,1182 5.995,1183 5.994,1184 6.962,1185 2.555,1186 27.432,1187 5.997,1188 23.43,1189 1.589,1190 1.635,1191 1.742,1192 1.566,1193 1.569,1194 1.677,1195 0.166,1196 5.411,1197 1.564,1198 4.148,1199 4.178,1200 4.076,1201 4.086,1202 7.427,1203 4.08,1204 3.931,1205 3.972,1206 3.83,1207 3.851,1208 6.458,1209 3.841,1210 3.779,1211 3.826,1212 3.662,1213 3.682,1214 6.448,1215 3.67,1216 3.619,1217 3.664,1218 3.507,1219 3.507,1220 4.556,1221 3.499,1222 3.477,1223 3.54,1224 3.318,1225 3.343,1226 4.366,1227 3.326,1228 3.431,1229 3.486,1230 3.28,1231 3.28,1232 4.302,1233 3.272,1234 3.341,1235 3.423,1236 3.134,1237 3.196,1238 4.09,1239 3.17,1240 3.183,1241 3.265,1242 2.986,1243 3.007,1244 3.985,1245 2.986,1246 0.141,1247 0.116,1248 0.242,1249 0.139,1250 0.111,1251 5.065,1252 0.119,1253 4.187,1254 0.035,1255 8.702,1256 0.489,1257 4.995,1258 0.111,1259 3.994,1260 4.283,1261 1.277,1262 17.592,1263 3.997,1264 2.07,1265 2.046,1266 2.197,1267 2.157,1268 1.629,1269 2.172,1270 1.883,1271 1.842,1272 2.072,1273 2,1274 1.489,1275 2.027,1276 1.798,1277 1.754,1278 1.996,1279 1.927,1280 1.357,1281 1.952,1282 1.678,1283 1.631,1284 1.897,1285 1.826,1286 1.163,1287 1.851,1288 1.498,1289 1.44,1290 1.774,1291 1.67,1292 1.029,1293 1.707,1294 1.442,1295 1.382,1296 1.736,1297 1.635,1298 0.988,1299 1.669,1300 1.408,1301 1.343,1302 1.673,1303 1.606,1304 0.967,1305 1.633,1306 1.235,1307 1.157,1308 1.573,1309 1.454,1310 0.826,1311 1.497,1312 4.29,1314 5.733,1315 2.398,1316 7.394,1317 4.949,1318 9.167,1319 7.248,1320 11.003,1322 16.135,1327 20.093,1328 9.376,1332 1.19,1334 -0.02,1340 44.788,1341 93.488,1342 215.865,1343 354.92,1344 428.469,1345 452.244,1346 452.244,1347 98.646,1348 8.438,1349 57.53,1350 57.53,1351 23,1352 13.481,1353 2,1354 2,1355 54.352,1356 129,1357 177,1358 0.215,1359 272.174,1360 496.57,1361 655.864,1362 51832,1364 24.397,1365 0.739,1366 0.675,1367 24.397,1368 22.26,1369 15.325,1370 0.426,1371 0.376,1372 13.492,1373 15.11,1374 12.776,1375 10.62,1376 15.325,1377 13.545,1378 15.605,1379 0.264,1380 0.229,1381 15.605,1382 13.485,1383 14.13,1384 0.162,1385 0.134,1386 14.13,1387 11.654,1388 11.253,1389 0.095,1390 0.077,1391 11.253,1392 9.163,1393 9.161,1394 0.057,1395 0.042,1396 9.161,1397 6.77,1398 0.329,1399 93.813,1400 0.213,1401 29.92,1402 0.618,1403 190,1404 334.035,1405 195.647,1406 328.535,1407 450.51,1408 306,1409 241,1410 326.424,1411 246.648,1412 341.571,1413 509.28,1414 319,1415 4.508}
{0 CHEMBL1915765,1 1.224,2 13.528,3 5.239,4 27.446,5 142.46,6 5.847,8 4.496,9 4.626,10 3.834,11 4.014,12 5.38,13 3.938,14 5.162,15 5.362,16 4.317,17 4.536,18 5.963,19 4.436,20 5.579,21 5.787,22 4.573,23 4.88,24 6.4,25 4.756,26 5.889,27 6.134,28 4.643,29 5.052,30 6.699,31 4.889,32 6.015,33 6.292,34 4.598,35 5.028,36 6.89,37 4.846,38 5.935,39 6.22,40 4.37,41 4.87,42 6.84,43 4.678,44 5.725,45 6.016,46 4.21,47 4.699,48 6.566,49 4.501,50 5.584,51 5.872,52 4.067,53 4.569,54 6.378,55 4.374,56 0.098,57 1.132,58 21.895,59 9.775,60 15.008,61 13.279,62 0.344,63 2.009,64 41.249,65 17.45,66 35.669,67 24.186,68 0.43,69 2.936,70 62.139,71 25.472,72 61.387,73 35.574,74 0.657,75 3.693,76 82.799,77 32.115,78 96.862,79 45.673,80 1,81 3.815,82 92.517,83 33.063,84 160.398,85 47.816,86 1.245,87 3.325,88 85.497,89 28.641,90 192.866,91 41.582,92 0.847,93 2.777,94 68.482,95 24.126,96 134.587,97 35.084,98 0.673,99 2.423,100 59.515,101 21.022,102 96.641,103 30.499,104 130,105 63,106 0.188,107 0.4,108 0.661,109 0.84,110 0.872,111 0.872,112 3.616,113 1.118,114 -5.69,115 -5.56,116 -5.19,121 36,122 7,123 10,124 3,125 4,127 1,129 2,138 2,158 1,160 1,176 25,179 1,180 5,185 4,187 40,192 6,197 7,200 46,206 10,211 7,214 37,219 12,222 1,224 10,227 33,232 9,236 1,237 3,239 28,244 9,247 1,249 4,251 24,256 4,261 4,264 21,268 2,269 2,274 3,277 17,281 2288,282 22.875,283 22.875,284 22.875,285 22.875,286 22.875,287 22.421,288 22.989,289 12.672,290 23.022,291 19.047,292 19.047,293 19.047,294 19.047,295 19.047,296 18.108,297 27.257,298 5.827,299 19.268,300 5.202,301 3.82,302 2.113,303 0.948,304 0.736,305 0.736,306 4.293,313 1030,314 5.244,317 60.384,318 205.972,321 100.818,322 228.48,325 2.139,326 52.115,329 0.5,330 0.83,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.84,337 77,338 487,339 5.085,340 4.227,341 8.71,342 5.009,343 4.009,344 4.312,345 2.443,346 17.662,347 4.009,348 4.757,349 3.849,350 8.141,351 4.743,352 3.746,353 3.773,354 1.277,355 15.693,356 3.736,357 4.288,358 3.682,359 7.406,360 4.186,361 3.191,362 3.387,363 1.023,364 12.611,365 3.175,366 3.852,367 3.492,368 6.925,369 3.805,370 2.81,371 2.894,372 0.286,373 10.846,374 2.795,375 3.664,376 3.24,377 6.108,378 3.422,379 2.437,380 2.818,382 7.917,383 2.402,384 3.545,385 2.986,386 5.805,387 3.322,388 2.294,389 2.646,391 7.37,392 2.341,393 3.354,394 2.528,395 5.436,396 3.238,397 2.261,398 2.367,400 6.296,401 2.19,402 3.02,403 2.145,404 5.077,405 2.972,406 1.992,407 2.021,409 6.003,410 1.945,411 2.754,412 1.987,413 5.009,414 2.704,415 1.734,416 1.75,418 4.955,419 1.673,420 2.632,421 1.97,422 4.423,423 2.588,424 1.603,425 1.626,427 3.499,428 1.572,429 2.451,430 1.515,431 4.245,432 2.283,433 1.284,434 1.331,436 3.327,437 1.281,438 2.305,439 1.371,440 3.975,441 2.143,442 1.126,443 1.293,445 2.984,446 1.141,447 1.782,448 1.184,449 3.808,450 1.704,451 0.763,452 0.768,454 1.568,455 0.71,456 1.611,457 0.903,458 3.591,459 1.51,460 0.549,461 0.568,463 1.396,464 0.522,465 1.539,466 0.818,467 3.487,468 1.386,469 0.381,470 0.405,472 0.794,473 0.378,474 17.167,475 0.477,476 1.522,477 0.042,478 25.5,479 0.708,480 4.5,481 0.125,482 21,483 0.583,484 67.144,485 1.865,486 44.033,487 0.512,488 16.701,489 0.464,490 2.763,491 0.077,492 13.973,493 0.388,494 0.282,495 0.117,496 0.262,501 0.767,502 1.301,503 1.06,504 1.293,505 0.755,506 1.223,507 0.638,508 1.054,509 0.879,510 1.049,511 0.555,512 1.001,513 0.863,514 1.203,515 1.076,516 1.202,517 0.823,518 1.17,519 0.896,520 1.211,521 1.097,522 1.21,523 0.908,524 1.183,525 1.021,526 1.077,527 1.012,528 1.071,529 1.11,530 1.044,531 1.449,532 0.899,533 1.105,534 0.901,535 1.56,536 0.952,537 1.06,538 0.96,539 0.994,540 0.96,541 1.179,542 0.967,543 1.162,544 0.958,545 1.033,546 0.959,547 1.071,548 0.977,549 11.5,550 0.284,551 8.667,552 5.979,553 4.796,554 2.421,555 1.476,556 0.92,557 0.576,558 0.392,559 16360,560 31131,561 1.934,562 58.1,563 34,564 4,567 2,568 4,569 6,572 1.776,573 1.714,574 3.578,575 0.066,582 105.276,583 1.224,584 2.607,585 4.313,586 5.478,587 5.69,588 5.69,589 3.208,590 4.781,591 5.125,592 3.773,593 2377.22,594 9.032,595 35207.6,600 552.659,601 1.903,602 5.019,603 0.295,604 0.009,605 0.138,606 0.077,607 0.061,608 0.035,609 0.027,610 0.02,611 0.014,612 0.012,613 0.687,614 0.17,615 0.75,616 1.815,617 192.539,618 -0.032,619 0.064,620 0.034,621 0.064,622 -0.073,623 0.058,624 0.089,625 0.157,626 0.154,627 0.16,628 0.064,629 0.165,630 -0.048,631 -0.026,632 -0.043,633 -0.027,634 -0.037,635 -0.034,636 -0.041,637 -0.127,638 -0.094,639 -0.126,640 -0.046,641 -0.118,642 0.005,643 -0.093,644 -0.019,645 -0.087,646 0.013,647 -0.059,648 -0.111,649 0.032,650 -0.082,651 0.022,652 -0.098,653 -0.02,654 -0.012,655 -0.009,656 -0.011,657 -0.009,658 -0.016,659 -0.01,660 -0.084,661 -0.002,662 -0.043,663 -0.004,664 -0.053,665 -0.016,666 1.973,667 7.092,668 0.472,669 43.877,670 0.985,671 1.133,672 4.465,673 19.936,674 0.608,675 3.689,676 4.159,677 4.533,678 4.875,679 5.182,680 5.384,681 5.617,682 5.826,683 5.956,684 6.043,685 7.258,686 0.555,687 502.81,688 3.689,689 5.323,690 6.244,691 7.216,692 8.173,693 9.156,694 10.129,695 11.119,696 12.101,697 13.095,741 86,743 3,745 39,747 89,748 31,752 3,756 4,757 10,763 7,764 4,766 4,767 8,768 2,770 12,772 4,773 27,774 3,777 3,782 2,786 4,793 50,794 5,795 2,796 5,808 0.25,809 5,811 2,828 1,829 3,832 1,833 2,841 1,846 1,850 2,857 2,859 1,864 7,868 36,875 2,876 11,878 1,880 5,882 4,893 5.8,894 2,896 2,898 1,901 21,902 17.067,903 7.632,904 5.974,907 0.437,908 1.051,909 0.85,910 7.479,911 9.036,912 3.761,913 4.277,914 4.727,915 5.147,916 5.545,917 5.793,918 6.05,919 6.292,920 6.405,921 6.474,922 1,923 78,924 13.719,926 6.229,927 0.026,929 7.676,931 27.044,933 24.725,936 2.176,937 78.333,941 565.013,942 110.41,945 146.656,948 110.41,949 711.669,951 61.776,952 29.938,953 85.367,954 62.615,955 17.371,957 565.013,959 565.013,960 110.41,961 146.656,964 494.386,965 131.916,966 85.367,968 91.714,969 18.696,972 565.013,973 146.656,974 110.41,977 565.013,978 48.634,979 61.776,981 146.656,982 565.013,983 146.656,984 110.41,986 0.615,987 0.38,988 0.198,989 0.111,990 33,991 17,992 0.09,993 8,994 3,995 1.353,996 4.118,997 381.888,998 0.353,999 17,1000 184.117,1005 27.994,1006 9.618,1007 4.201,1009 146.656,1017 85.367,1018 822.079,1019 42,1024 26.348,1028 2.01,1031 84.727,1032 97.427,1034 0.19,1035 0.406,1036 0.671,1037 0.852,1038 0.885,1039 0.885,1040 5.165,1041 1.992,1042 6.375,1043 6.296,1044 4.844,1045 4.963,1046 2.797,1047 7.451,1048 4.828,1049 6.418,1050 1.734,1051 8.127,1052 6.003,1053 5.017,1054 5.165,1055 2.243,1056 9.191,1057 5.008,1058 7.82,1059 1.603,1060 10.01,1061 4.955,1062 6.792,1063 7.031,1064 3.991,1065 12.397,1066 6.775,1067 9.26,1068 1.284,1069 11.971,1070 3.499,1071 7.737,1072 7.99,1073 4.269,1074 14.892,1075 7.725,1076 10.74,1077 1.126,1078 13.982,1079 3.327,1080 9.164,1081 9.505,1082 5.531,1083 17.802,1084 9.149,1085 12.247,1086 0.763,1087 16.025,1088 2.984,1089 10.379,1090 10.746,1091 6.158,1092 20.527,1093 10.367,1094 13.775,1095 0.549,1096 18.092,1097 1.568,1098 11.735,1099 12.182,1100 7.22,1101 23.376,1102 11.722,1103 4.009,1104 0.381,1105 20.176,1106 1.396,1107 13.042,1108 13.532,1109 7.992,1110 26.177,1111 13.03,1112 3.746,1113 17.662,1114 22.272,1115 0.794,1116 14.391,1117 14.957,1118 8.966,1119 29.018,1120 14.379,1121 3.191,1122 15.693,1123 24.378,1124 4.312,1125 15.732,1126 16.355,1127 9.802,1128 31.848,1129 15.72,1130 2.81,1131 12.611,1132 26.492,1133 3.773,1134 17.086,1135 17.783,1136 10.735,1137 34.692,1138 17.075,1139 2.437,1140 10.846,1141 28.612,1142 3.387,1143 18.441,1144 19.205,1145 11.599,1146 37.535,1147 18.43,1148 2.294,1149 7.917,1150 30.737,1151 2.894,1152 19.801,1153 20.641,1154 12.512,1155 40.384,1156 19.79,1157 2.261,1158 7.37,1159 32.866,1160 2.818,1161 21.164,1162 22.075,1163 13.391,1164 43.234,1165 21.153,1166 16282,1167 22471,1168 23.75,1169 52.307,1170 61.465,1171 63.877,1172 67.44,1173 60.818,1174 60.883,1175 64.468,1176 10.059,1177 207.059,1178 60.247,1179 6.085,1180 6.227,1181 8.621,1182 6.033,1183 6.009,1184 7.002,1185 4.174,1186 27.519,1187 6.009,1188 25.948,1189 1.576,1190 1.638,1191 1.729,1192 1.559,1193 1.561,1194 1.653,1195 0.258,1196 5.309,1197 1.545,1198 4.15,1199 4.178,1200 4.082,1201 4.085,1202 7.433,1203 4.081,1204 3.931,1205 3.971,1206 3.829,1207 3.85,1208 7.426,1209 3.839,1210 3.754,1211 3.794,1212 3.643,1213 3.607,1214 6.452,1215 3.604,1216 3.653,1217 3.713,1218 3.511,1219 3.515,1220 6.446,1221 3.501,1222 3.545,1223 3.592,1224 3.4,1225 3.407,1226 4.523,1227 3.399,1228 3.438,1229 3.496,1230 3.303,1231 3.285,1232 4.443,1233 3.275,1234 3.376,1235 3.429,1236 3.219,1237 3.2,1238 4.316,1239 3.193,1240 3.344,1241 3.404,1242 3.174,1243 3.154,1244 4.101,1245 3.155,1246 0.13,1247 0.108,1248 0.223,1249 0.128,1250 0.103,1251 5.085,1252 0.111,1253 4.227,1254 0.063,1255 8.71,1256 0.453,1257 5.009,1258 0.103,1259 4.009,1260 4.312,1261 2.443,1262 17.662,1263 4.009,1264 2.067,1265 2.044,1266 2.192,1267 2.157,1268 1.627,1269 2.169,1270 1.874,1271 1.835,1272 2.057,1273 1.995,1274 1.478,1275 2.017,1276 1.771,1277 1.727,1278 1.976,1279 1.92,1280 1.343,1281 1.938,1282 1.682,1283 1.62,1284 1.957,1285 1.869,1286 1.239,1287 1.9,1288 1.52,1289 1.467,1290 1.777,1291 1.712,1292 1.094,1293 1.732,1294 1.497,1295 1.44,1296 1.77,1297 1.673,1298 1.041,1299 1.707,1300 1.425,1301 1.363,1302 1.701,1303 1.628,1304 1.009,1305 1.656,1306 1.298,1307 1.243,1308 1.605,1309 1.548,1310 0.768,1311 1.567,1312 4.369,1314 5.802,1315 2.398,1316 7.452,1317 4.949,1318 9.219,1319 7.248,1320 11.057,1322 15.344,1327 22.482,1328 8.213,1330 5.383,1332 -0.34,1334 -1.107,1340 47.744,1341 105.276,1342 224.174,1343 370.91,1344 471.11,1345 489.375,1346 489.375,1347 136.27,1348 8.6,1349 83.83,1350 83.83,1351 23,1352 13.56,1353 2,1354 2,1355 62.24,1356 153,1357 234,1358 0.206,1359 289.759,1360 531.45,1361 698.771,1362 63898,1364 26.681,1365 0.741,1366 0.661,1367 26.681,1368 23.784,1369 16.736,1370 0.429,1371 0.373,1372 14.441,1373 16.329,1374 13.769,1375 11.423,1376 16.736,1377 14.538,1378 16.901,1379 0.268,1380 0.222,1381 16.901,1382 13.971,1383 14.744,1384 0.16,1385 0.128,1386 14.744,1387 11.783,1388 12.309,1389 0.095,1390 0.072,1391 12.309,1392 9.336,1393 10.204,1394 0.058,1395 0.039,1396 10.204,1397 6.9,1398 0.319,1399 103.633,1400 0.205,1401 32.327,1402 0.585,1403 204,1404 433.506,1405 216.179,1406 411.274,1407 553.2,1408 382,1409 257,1410 395.273,1411 267.963,1412 402.693,1413 602.5,1414 378,1415 4.936}
{0 CHEMBL1915766,1 1.234,2 13.528,3 5.199,4 27.034,5 141.638,6 5.962,8 4.471,9 4.6,10 3.83,11 4.004,12 5.368,13 3.929,14 5.139,15 5.337,16 4.313,17 4.522,18 5.952,19 4.425,20 5.547,21 5.751,22 4.567,23 4.86,24 6.4,25 4.74,26 5.846,27 6.082,28 4.638,29 5.026,30 6.691,31 4.871,32 5.979,33 6.25,34 4.593,35 5.005,36 6.883,37 4.829,38 5.905,39 6.188,40 4.362,41 4.848,42 6.836,43 4.66,44 5.69,45 5.979,46 4.201,47 4.675,48 6.55,49 4.481,50 5.551,51 5.838,52 4.057,53 4.543,54 6.365,55 4.352,56 0.078,57 1.106,58 20.998,59 9.562,60 13.002,61 12.922,62 0.323,63 1.967,64 39.974,65 17.088,66 35.522,67 23.59,68 0.417,69 2.858,70 60.089,71 24.765,72 65.841,73 34.37,74 0.63,75 3.59,76 79.777,77 31.164,78 104.064,79 43.986,80 0.978,81 3.744,82 90.206,83 32.416,84 166.047,85 46.535,86 1.23,87 3.281,88 83.917,89 28.247,90 204.494,91 40.709,92 0.812,93 2.732,94 66.737,95 23.749,96 141.157,97 34.347,98 0.656,99 2.38,100 58.153,101 20.648,102 99.556,103 29.789,104 130,105 63,106 0.19,107 0.398,108 0.661,109 0.834,110 0.866,111 0.866,112 3.616,113 1.107,114 -5.6,115 -5.48,116 -5.11,121 36.9,122 7,123 10,124 3,125 4,127 1,129 1,138 2,158 2,160 1,176 25,179 1,180 7,185 2,187 40,192 10,197 3,200 46,206 12,211 5,214 37,219 14,222 1,224 8,227 33,232 10,235 1,237 2,239 28,243 1,244 11,249 2,251 24,256 7,261 1,264 21,268 2,269 5,277 17,281 2288,282 22.875,283 22.875,284 22.875,285 22.875,286 22.875,287 22.304,288 27.68,289 12.672,290 22.966,291 19.047,292 19.047,293 19.047,294 19.047,295 19.047,296 17.854,297 37.513,298 5.827,299 19.144,300 5.158,301 3.802,302 2.093,303 0.968,304 0.753,305 0.753,306 4.293,313 1030,314 5.244,317 60.384,318 205.972,321 100.818,322 228.48,325 2.139,326 53.481,329 0.5,330 0.83,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.84,337 77,338 487,339 5.086,340 4.246,341 8.71,342 5.009,343 4.009,344 4.315,345 2.443,346 17.662,347 4.01,348 4.774,349 4.067,350 8.141,351 4.748,352 3.746,353 3.818,354 2.178,355 15.693,356 3.756,357 4.332,358 3.692,359 7.406,360 4.2,361 3.191,362 3.494,363 1.277,364 12.611,365 3.218,366 3.859,367 3.68,368 6.925,369 3.806,370 2.81,371 2.906,372 1.023,373 10.846,374 2.797,375 3.664,376 3.347,377 6.108,378 3.423,379 2.437,380 2.82,381 0.286,382 7.917,383 2.406,384 3.562,385 3.04,386 5.805,387 3.325,388 2.294,389 2.684,391 7.37,392 2.346,393 3.354,394 2.652,395 5.436,396 3.238,397 2.261,398 2.367,400 6.296,401 2.191,402 3.127,403 2.508,404 5.077,405 2.993,406 1.992,407 2.144,409 6.003,410 1.992,411 2.874,412 2.091,413 5.009,414 2.75,415 1.734,416 1.866,418 4.955,419 1.747,420 2.633,421 1.975,422 4.423,423 2.588,424 1.603,425 1.627,427 3.499,428 1.572,429 2.464,430 1.543,431 4.245,432 2.283,433 1.284,434 1.339,436 3.327,437 1.281,438 2.305,439 1.373,440 3.975,441 2.146,442 1.126,443 1.293,445 2.984,446 1.145,447 1.782,448 1.203,449 3.808,450 1.704,451 0.763,452 0.768,454 1.568,455 0.71,456 1.78,457 1.184,458 3.591,459 1.568,460 0.549,461 0.614,463 1.396,464 0.552,465 1.542,466 0.904,467 3.487,468 1.395,469 0.381,470 0.411,472 0.794,473 0.383,474 17.167,475 0.477,476 1.522,477 0.042,478 27,479 0.75,480 6,481 0.167,482 21,483 0.583,484 65.049,485 1.807,486 43.433,487 0.517,488 18.796,489 0.522,490 3.14,491 0.087,492 13.596,493 0.378,494 0.282,495 0.117,496 0.262,501 0.665,502 1.293,503 1.018,504 1.285,505 0.631,506 1.208,507 0.585,508 1.03,509 0.843,510 1.026,511 0.505,512 0.975,513 0.872,514 1.183,515 1.064,516 1.182,517 0.846,518 1.152,519 0.919,520 1.22,521 1.111,522 1.219,523 0.967,524 1.194,525 1.039,526 1.082,527 1.023,528 1.076,529 1.082,530 1.051,531 1.442,532 0.89,533 1.099,534 0.893,535 1.486,536 0.944,537 1.017,538 0.956,539 0.977,540 0.956,541 1.073,542 0.961,543 1.142,544 0.94,545 1.015,546 0.941,547 1.02,548 0.959,549 11.5,550 0.284,551 8.667,552 5.979,553 4.796,554 2.421,555 1.476,556 0.92,557 0.576,558 0.392,559 16360,560 32624,561 1.934,562 57.1,563 34,564 3,567 1,568 6,569 4,572 1.776,573 1.714,574 3.578,575 -0.465,582 103.687,583 1.234,584 2.59,585 4.299,586 5.425,587 5.639,588 5.639,589 3.208,590 4.781,591 5.125,592 3.773,593 2377.22,594 9.032,595 35207.6,600 536.955,601 1.903,602 5.019,603 0.295,604 0.009,605 0.138,606 0.077,607 0.061,608 0.035,609 0.027,610 0.02,611 0.014,612 0.012,613 0.687,614 0.17,615 0.75,616 1.815,617 192.539,618 -0.013,619 0.046,620 0.039,621 0.048,622 -0.043,623 0.05,624 0.1,625 0.16,626 0.168,627 0.164,628 0.068,629 0.173,630 -0.051,631 -0.022,632 -0.043,633 -0.024,634 -0.041,635 -0.031,636 -0.049,637 -0.138,638 -0.11,639 -0.139,640 -0.058,641 -0.133,642 -0.001,643 -0.098,644 -0.028,645 -0.093,646 0.007,647 -0.067,648 -0.112,649 0.039,650 -0.078,651 0.03,652 -0.086,653 -0.014,654 -0.003,655 -0.007,656 0.001,657 -0.006,658 0.003,659 -0.003,660 -0.08,661 0.01,662 -0.028,663 0.009,664 -0.048,665 -0.001,666 2.014,667 7.07,668 0.472,669 43.877,670 0.986,671 1.131,672 4.375,673 19.137,674 0.614,675 3.689,676 4.159,677 4.533,678 4.875,679 5.182,680 5.384,681 5.617,682 5.826,683 5.956,684 6.043,685 7.258,686 0.562,687 500.79,688 3.689,689 5.323,690 6.244,691 7.216,692 8.173,693 9.156,694 10.129,695 11.119,696 12.101,697 13.095,741 84,743 4,745 39,747 87,748 31,752 3,756 4,757 10,763 7,764 4,766 4,767 7,768 2,770 11,772 5,773 26,774 3,777 4,782 3,786 5,793 48,794 5,795 1,796 5,808 0.25,809 5,811 1,828 1,829 3,832 1,833 2,841 2,846 1,850 2,857 1,859 1,864 7,868 36,875 1,876 11,878 1,880 4,882 4,893 6,894 1,896 3,898 1,901 21,902 16.95,903 7.632,904 5.886,907 0.506,908 1.059,909 0.867,910 7.283,911 9.106,912 3.784,913 4.304,914 4.762,915 5.165,916 5.572,917 5.826,918 6.096,919 6.347,920 6.471,921 6.535,922 1,923 78,924 13.723,926 6.243,927 0.026,929 7.713,931 26.923,933 24.507,936 2.213,937 79.667,941 553.242,942 115.544,945 129.118,948 115.544,949 682.36,951 61.776,952 29.938,953 42.683,954 92.893,955 17.371,957 553.242,959 553.242,960 115.544,961 129.118,964 506.157,965 133.519,966 42.683,968 91.714,969 23.829,972 553.242,973 129.118,974 115.544,977 553.242,978 53.767,979 61.776,981 129.118,982 553.242,983 129.118,984 115.544,986 0.615,987 0.38,988 0.198,989 0.111,990 33,991 17,992 0.092,993 8,994 3,995 1.353,996 4.118,997 381.888,998 0.353,999 17,1000 184.117,1005 27.716,1006 9.459,1007 4.117,1009 129.118,1017 42.683,1018 797.903,1019 43,1024 39.163,1028 2.156,1031 82.843,1032 95.012,1034 0.193,1035 0.405,1036 0.673,1037 0.849,1038 0.882,1039 0.882,1040 5.182,1041 1.992,1042 6.375,1043 6.296,1044 4.844,1045 4.99,1046 3.172,1047 7.451,1048 4.841,1049 6.439,1050 1.734,1051 8.127,1052 6.003,1053 5.017,1054 5.198,1055 2.778,1056 9.191,1057 5.024,1058 7.842,1059 1.603,1060 10.01,1061 4.955,1062 6.792,1063 7.072,1064 4.405,1065 12.397,1066 6.793,1067 9.283,1068 1.284,1069 11.971,1070 3.499,1071 7.737,1072 8.036,1073 4.726,1074 14.892,1075 7.746,1076 10.763,1077 1.126,1078 13.982,1079 3.327,1080 9.164,1081 9.554,1082 5.915,1083 17.802,1084 9.171,1085 12.271,1086 0.763,1087 16.025,1088 2.984,1089 10.379,1090 10.798,1091 6.534,1092 20.527,1093 10.391,1094 13.799,1095 0.549,1096 18.092,1097 1.568,1098 11.735,1099 12.233,1100 7.549,1101 23.376,1102 11.747,1103 4.009,1104 0.381,1105 20.176,1106 1.396,1107 13.042,1108 13.585,1109 8.3,1110 26.177,1111 13.057,1112 3.746,1113 17.662,1114 22.272,1115 0.794,1116 14.391,1117 15.008,1118 9.24,1119 29.018,1120 14.406,1121 3.191,1122 15.693,1123 24.378,1124 4.315,1125 15.732,1126 16.405,1127 10.053,1128 31.848,1129 15.748,1130 2.81,1131 12.611,1132 26.492,1133 3.818,1134 17.086,1135 17.832,1136 10.959,1137 34.692,1138 17.102,1139 2.437,1140 10.846,1141 28.612,1142 3.494,1143 18.441,1144 19.252,1145 11.803,1146 37.535,1147 18.458,1148 2.294,1149 7.917,1150 30.737,1151 2.906,1152 19.801,1153 20.685,1154 12.695,1155 40.384,1156 19.819,1157 2.261,1158 7.37,1159 32.866,1160 2.82,1161 21.164,1162 22.118,1163 13.557,1164 43.234,1165 21.181,1166 16282,1167 23014,1168 23.75,1169 51.546,1170 61.868,1171 64.835,1172 67.44,1173 60.886,1174 60.883,1175 65.507,1176 14.416,1177 207.059,1178 60.737,1179 6.086,1180 6.185,1181 8.621,1182 6.034,1183 6.009,1184 7.005,1185 4.174,1186 27.519,1187 6.01,1188 25.948,1189 1.586,1190 1.662,1191 1.729,1192 1.561,1193 1.561,1194 1.68,1195 0.37,1196 5.309,1197 1.557,1198 4.15,1199 4.177,1200 4.084,1201 4.085,1202 7.434,1203 4.081,1204 3.932,1205 3.969,1206 3.839,1207 3.85,1208 7.427,1209 3.841,1210 3.754,1211 3.794,1212 3.646,1213 3.607,1214 7.424,1215 3.605,1216 3.653,1217 3.712,1218 3.519,1219 3.515,1220 6.449,1221 3.502,1222 3.544,1223 3.588,1224 3.405,1225 3.406,1226 4.521,1227 3.4,1228 3.438,1229 3.495,1230 3.304,1231 3.285,1232 4.442,1233 3.276,1234 3.376,1235 3.429,1236 3.221,1237 3.2,1238 4.309,1239 3.193,1240 3.344,1241 3.404,1242 3.174,1243 3.154,1244 4.098,1245 3.155,1246 0.13,1247 0.109,1248 0.223,1249 0.128,1250 0.103,1251 5.086,1252 0.111,1253 4.246,1254 0.063,1255 8.71,1256 0.453,1257 5.009,1258 0.103,1259 4.009,1260 4.315,1261 2.443,1262 17.662,1263 4.01,1264 2.066,1265 2.044,1266 2.185,1267 2.155,1268 1.609,1269 2.165,1270 1.871,1271 1.834,1272 2.053,1273 1.993,1274 1.469,1275 2.014,1276 1.769,1277 1.726,1278 1.971,1279 1.917,1280 1.329,1281 1.934,1282 1.681,1283 1.62,1284 1.955,1285 1.868,1286 1.239,1287 1.9,1288 1.52,1289 1.467,1290 1.777,1291 1.711,1292 1.094,1293 1.732,1294 1.493,1295 1.438,1296 1.767,1297 1.667,1298 1.021,1299 1.702,1300 1.422,1301 1.362,1302 1.688,1303 1.625,1304 0.975,1305 1.649,1306 1.298,1307 1.243,1308 1.605,1309 1.548,1310 0.766,1311 1.567,1312 4.369,1314 5.802,1315 2.398,1316 7.452,1317 4.949,1318 9.219,1319 7.248,1320 11.057,1322 15.059,1327 11.642,1328 7.772,1330 5.377,1332 -0.099,1334 -1.402,1340 47.217,1341 103.687,1342 217.566,1343 361.148,1344 455.67,1345 473.67,1346 473.67,1347 138.654,1348 8.6,1349 80.67,1350 80.67,1351 23,1352 13.56,1353 2.322,1354 2.322,1355 62.24,1356 153,1357 234,1358 0.206,1359 286.831,1360 528.81,1361 691.628,1362 63898,1364 26.681,1365 0.741,1366 0.657,1367 26.681,1368 23.668,1369 16.736,1370 0.429,1371 0.369,1372 14.297,1373 16.329,1374 13.621,1375 11.296,1376 16.736,1377 14.39,1378 16.901,1379 0.268,1380 0.218,1381 16.901,1382 13.74,1383 14.744,1384 0.16,1385 0.126,1386 14.744,1387 11.55,1388 12.309,1389 0.095,1390 0.07,1391 12.309,1392 9.152,1393 10.204,1394 0.058,1395 0.038,1396 10.204,1397 6.723,1398 0.319,1399 103.633,1400 0.205,1401 32.327,1402 0.585,1403 204,1404 455.092,1405 216.179,1406 431.374,1407 577.78,1408 400,1409 257,1410 411.636,1411 267.963,1412 418.723,1413 624.06,1414 393,1415 4.912}
{0 CHEMBL191625,1 1.4,2 3.429,3 -0.473,4 0.224,5 26.09,6 6.675,8 2.721,9 2.838,10 2.121,11 2.192,12 3.932,13 2.144,14 3.216,15 3.438,16 2.324,17 2.365,18 4.412,19 2.3,20 3.317,21 3.469,22 2.032,23 2.246,24 4.771,25 2.191,26 3.123,27 3.422,28 1.95,29 1.966,30 4.644,31 1.849,32 2.65,33 2.834,34 0.778,35 1.464,36 4.007,37 1.311,38 2.195,39 2.648,40 0.062,41 0.835,42 2.303,43 0.485,56 0.016,57 0.173,58 3.155,59 1.462,60 5.845,61 1.922,62 0.06,63 0.226,64 5.624,65 1.916,66 18.16,67 2.78,68 0.24,69 0.202,70 6.842,71 1.619,72 59.833,73 2.26,74 0.173,75 0.158,76 5.417,77 1.382,78 40.833,79 2.244,80 0.139,81 0.087,82 3.455,83 0.708,84 31.667,85 1.058,86 0.045,87 0.043,88 2.003,89 0.421,90 10.028,91 0.841,104 21,105 7,106 0.35,107 0.477,108 0.585,109 0.585,110 0.52,111 0.326,112 2.145,113 1.058,114 -1.31,115 -1.39,116 -1.45,121 33.3,122 2,123 1,158 2,180 4,187 2,205 1,206 2,214 1,281 26,282 3.983,283 3.983,284 3.983,285 3.983,286 3.983,287 3.569,288 3.886,289 2.545,290 3.881,291 2.966,292 2.966,293 2.966,294 2.966,295 2.966,296 2.351,297 2.715,298 1.219,299 2.81,300 2.507,301 2,302 1.567,303 1.567,304 1.828,305 2.603,306 2.603,312 1,313 38,314 2.646,325 0.653,326 12.133,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 16,338 24,339 3.732,340 3.741,341 5,342 3.467,343 2.414,344 2.935,345 2.414,346 6,347 2.531,348 3.214,349 3.349,350 4,351 2.814,352 1.732,353 2.303,354 2.006,355 3.772,356 1.863,357 1,358 1.023,359 2,360 0.644,361 -0.414,362 -0.463,363 -0.327,364 -1,365 -0.431,366 0.461,367 0.391,368 1,369 0.1,370 -1,371 -1.303,372 -0.964,373 -2,374 -1.09,375 0.268,376 -0.005,377 1,378 0.09,379 -1,380 -1.473,381 -1.407,382 -2,383 -1.1,384 -0.675,385 -0.979,386 1,387 -0.714,388 -1.732,389 -2,390 -1.721,391 -4.772,392 -1.772,474 3.167,475 0.452,476 0.288,477 0.041,478 6.5,479 0.929,480 3,481 0.429,482 3.5,483 0.5,484 3.924,485 0.561,486 8.833,487 0.589,488 3.553,489 0.508,490 1.485,491 0.212,492 1.641,493 0.234,494 0.526,496 0.316,501 0.505,502 1.5,503 0.873,504 1.493,505 0.545,506 1.31,507 0.564,508 1.227,509 0.648,510 1.195,511 0.576,512 0.976,513 2.117,514 1.049,515 1.776,516 1.066,517 2.11,518 1.294,519 0.312,520 0.764,521 0.421,522 0.751,523 0.287,524 0.633,525 2.226,526 1.046,527 2.112,528 1.11,529 2.216,530 1.52,549 2.5,551 0.444,552 0.5,559 114,560 548,561 1.511,562 53.3,568 8,572 1.239,573 1.355,574 2.001,575 -0.668,582 20.994,583 1.4,584 1.907,585 2.34,586 2.34,587 2.079,588 1.304,589 1.379,590 1.379,591 2.779,592 1.956,593 41.077,594 4.23,595 203.059,600 58.603,601 1.379,602 2.626,603 0.417,605 0.063,606 0.125,613 0.605,614 1,615 1,616 1.379,617 18.189,618 -0.001,619 -0.143,620 -0.053,621 -0.142,622 -0.034,623 -0.116,624 0.075,625 -0.19,626 0.226,627 -0.146,628 0.065,629 0.053,630 -0.579,631 -0.121,632 -0.735,633 -0.18,634 -0.559,635 -0.46,636 0.447,637 0.02,638 0.498,639 0.059,640 0.464,641 0.263,642 -0.671,643 -0.244,644 -1.087,645 -0.344,646 -0.662,647 -0.769,648 0.315,649 0.495,650 0.84,651 0.572,652 0.286,653 0.816,666 1.729,667 3.033,669 2.612,670 1.013,671 1.139,672 0.076,673 0.006,674 0.597,675 1.946,676 2.079,677 1.609,678 1.609,685 2.526,686 0.569,687 100.13,688 1.946,689 3.296,690 3.892,691 4.654,692 5.263,693 6.033,694 6.645,695 7.418,696 8.03,697 8.803,741 15,743 2,745 6,747 14,748 5,763 2,770 1,772 2,773 3,777 2,782 2,786 2,793 8,794 2,796 2,809 2,841 2,864 2,868 7,876 1,893 13.3,896 2,901 5.167,902 3.333,903 1.667,904 0.833,907 0.37,908 1.11,909 0.802,910 2.278,911 3.738,912 2.197,913 2.485,914 1.946,915 2.303,922 1,923 4,924 2.55,925 -0.113,926 0.907,927 0.249,929 8.762,930 0.001,931 4.536,932 -0.052,933 2.946,934 0.144,935 0.01,936 3.262,937 22.833,938 0.034,941 94.169,942 30.452,945 50.29,948 30.452,949 144.459,951 17.65,952 2.535,954 60.557,957 94.169,959 94.169,960 30.452,961 50.29,964 94.169,965 50.29,968 20.185,969 10.267,972 94.169,973 50.29,974 30.452,977 94.169,978 12.801,979 17.65,981 50.29,982 94.169,983 50.29,984 30.452,986 0.548,987 0.19,988 0.095,990 2,991 2,992 0.143,993 2,996 1.654,997 21.909,1000 13.651,1005 6.351,1006 2.511,1007 5.351,1009 50.29,1018 174.911,1019 8,1024 20.067,1028 -0.125,1031 15.189,1032 17.08,1034 0.358,1035 0.488,1036 0.599,1037 0.599,1038 0.532,1039 0.334,1040 3.296,1042 3.892,1044 2.708,1045 3.135,1046 2.823,1047 4.419,1048 2.809,1049 4.466,1051 5.303,1053 2.565,1054 3.219,1055 2.661,1056 4.977,1057 2.734,1058 5.714,1060 6.804,1062 4.007,1063 4.844,1064 4.17,1065 7.626,1066 4.202,1067 6.974,1069 8.339,1071 4.394,1072 5.485,1073 4.543,1074 8.7,1075 4.669,1076 8.245,1078 9.893,1080 5.541,1081 6.767,1082 5.699,1083 11.026,1084 5.829,1085 9.52,1087 11.458,1089 6.168,1090 7.637,1091 6.315,1092 12.364,1093 6.53,1094 10.8,1096 13.031,1098 7.185,1099 8.793,1100 7.319,1101 14.504,1102 7.565,1103 2.414,1105 14.611,1107 7.932,1108 9.767,1109 8.057,1110 16.007,1111 8.379,1112 1.732,1113 6,1114 16.196,1116 8.884,1117 10.874,1118 8.992,1119 18.023,1120 9.358,1121 -0.414,1122 3.772,1123 17.786,1124 2.935,1125 9.695,1126 11.898,1127 9.793,1128 19.632,1129 10.228,1130 -1,1131 -1,1132 19.38,1133 2.303,1134 10.613,1135 12.985,1136 10.695,1137 21.567,1138 11.181,1139 -1,1140 -2,1141 20.976,1142 -0.463,1143 11.458,1144 14.034,1145 11.531,1146 23.243,1147 12.08,1148 -1.732,1149 -2,1150 22.575,1151 -1.303,1152 12.358,1153 15.113,1154 12.419,1155 25.126,1156 13.02,1158 -4.772,1159 24.176,1160 -1.473,1161 13.221,1162 16.176,1163 13.274,1164 26.845,1165 13.933,1166 174,1167 404,1168 2.89,1169 8.955,1170 8.559,1171 9.166,1172 8.667,1173 8.295,1174 8.293,1175 10.476,1176 8.839,1177 19.544,1178 8.787,1179 4.407,1180 4.721,1181 4,1182 4.181,1183 4.146,1184 4.935,1185 4.135,1186 10.772,1187 4.303,1188 4.586,1189 1.427,1190 1.528,1191 1.444,1192 1.383,1193 1.382,1194 1.746,1195 1.473,1196 3.257,1197 1.465,1198 3.738,1199 3.766,1200 3.644,1201 3.566,1202 7.442,1203 3.578,1204 3.339,1205 3.395,1206 3.195,1207 3.117,1208 7.412,1209 3.12,1210 2.763,1211 2.891,1212 2.403,1213 2.506,1214 3.88,1215 2.462,1216 2.363,1217 2.377,1218 2.149,1219 1.903,1220 3.704,1221 1.966,1222 2.04,1223 2.085,1224 1.801,1225 1.52,1226 3.141,1227 1.581,1228 0.941,1229 1.207,1230 0.083,1231 0.38,1232 1.213,1233 0.262,1234 0.941,1235 1.207,1236 0.083,1237 0.38,1238 1.133,1239 0.262,1240 0.941,1241 1.207,1242 0.083,1243 0.38,1244 0.999,1245 0.262,1246 0.622,1247 0.624,1248 0.833,1249 0.578,1250 0.402,1251 3.732,1252 0.489,1253 3.741,1254 0.402,1255 5,1256 1,1257 3.467,1258 0.422,1259 2.414,1260 2.935,1261 2.414,1262 6,1263 2.531,1264 1.676,1265 1.643,1266 1.882,1267 1.876,1268 1.001,1269 1.875,1270 1.307,1271 1.243,1272 1.639,1273 1.564,1274 0.667,1275 1.587,1276 0.811,1277 0.687,1278 1.277,1279 1.118,1280 0.42,1281 1.179,1282 0.13,1283 0.116,1284 0.292,1285 0.624,1287 0.525,1290 0.18,1291 0.374,1293 0.316,1312 2.565,1314 3.714,1316 4.977,1318 6.301,1320 7.656,1322 2.808,1328 0.083,1340 8.537,1341 20.994,1342 28.603,1343 35.094,1344 35.094,1345 31.187,1346 19.559,1347 13.985,1348 3.367,1349 34.14,1350 34.14,1352 9.47,1353 1.585,1354 1.585,1355 14.729,1356 10,1357 6,1358 0.875,1359 60.87,1360 107.36,1361 140.282,1362 48,1364 5.862,1365 0.837,1366 0.646,1367 5.862,1368 4.524,1369 3.126,1370 0.521,1371 0.353,1372 2.088,1373 2.966,1374 1.918,1375 1.661,1376 3.126,1377 2.115,1378 3.023,1379 0.432,1380 0.226,1381 3.023,1382 1.581,1383 0.943,1384 0.236,1385 0.124,1386 0.943,1387 0.498,1388 0.943,1389 0.236,1390 0.088,1391 0.943,1392 0.351,1398 1.207,1399 19.91,1400 0.588,1401 6.786,1402 2.672,1403 26,1404 133.471,1405 30.207,1406 122.698,1407 141.7,1408 110,1409 24,1410 79.273,1411 26.658,1412 79.919,1413 103.88,1414 72,1415 4}
{0 CHEMBL1916475,1 1.616,2 11.97,3 2.718,4 7.388,5 123.064,6 7.216,7 0.333,8 4.245,9 4.369,10 3.778,11 3.69,12 5.325,13 3.688,14 4.817,15 5.002,16 4.12,17 4.078,18 5.861,19 4.049,20 5.079,21 5.308,22 4.217,23 4.226,24 6.074,25 4.175,26 5.113,27 5.356,28 4.165,29 4.201,30 6.146,31 4.139,32 5.044,33 5.286,34 4.156,35 4.155,36 6.119,37 4.102,38 4.964,39 5.185,40 4.179,41 4.138,42 6.031,43 4.108,44 4.986,45 5.182,46 4.199,47 4.171,48 6.137,49 4.143,50 5.046,51 5.258,52 4.114,53 4.17,54 6.182,55 4.112,56 0.101,57 0.945,58 13.87,59 5.482,60 13.604,61 7.555,62 0.521,63 1.462,64 27.353,65 8.86,66 42.503,67 12.843,68 0.629,69 1.766,70 37.094,71 10.96,72 54.974,73 16.666,74 0.77,75 1.769,76 39.197,77 10.85,78 76.212,79 16.755,80 0.785,81 1.685,82 36.383,83 9.631,84 81.499,85 15.521,86 0.616,87 1.629,88 32.658,89 8.888,90 52.267,91 14.007,92 0.687,93 1.666,94 33.002,95 9.043,96 67.388,97 13.855,98 0.745,99 1.668,100 35.733,101 10.097,102 86.198,103 15.165,104 25,105 49,106 0.26,107 0.604,108 0.8,109 0.867,110 0.867,111 0.867,112 3.532,113 0.95,114 -3.44,115 -3.42,116 -3.27,121 36.5,122 1,123 5,126 1,127 3,129 2,144 3,145 1,146 1,147 1,148 2,149 1,160 1,161 1,168 1,176 5,179 4,180 7,183 1,185 4,187 4,191 3,192 6,195 1,197 4,200 3,205 3,206 9,209 3,211 1,214 1,218 4,219 8,223 1,231 4,232 13,237 1,239 2,243 2,244 11,247 2,249 1,251 3,255 3,256 6,259 2,261 1,264 3,268 1,269 5,272 3,274 2,277 5,281 2283,282 22.67,283 22.67,284 22.67,285 22.67,286 22.67,287 21.036,288 25.775,289 13.623,290 23.371,291 17.69,292 17.69,293 17.69,294 17.69,295 17.69,296 15.028,297 33.59,298 6.399,299 18.732,300 4.361,301 2.229,302 1.008,303 0.595,304 0.595,305 0.595,306 4.23,311 1,312 1,313 840,314 3.464,318 381.839,322 148.755,325 1.851,326 39.536,329 1,330 0.67,331 0.83,332 1,333 1,334 1,335 1,336 0.93,337 73,338 395,339 4.553,340 3.792,341 6.828,342 4.196,343 3.243,344 4.176,345 1.741,346 11.33,347 3.089,348 4.187,349 3.084,350 6.134,351 3.801,352 2.829,353 3.756,354 0.86,355 9.037,356 2.748,357 3.787,358 2.932,359 5.95,360 3.611,361 2.65,362 3.22,363 0.86,364 8.29,365 2.547,366 3.731,367 2.801,368 5.467,369 3.379,370 2.434,371 2.871,372 0.803,373 7.147,374 2.302,375 3.565,376 2.658,377 5.302,378 3.306,379 2.379,380 2.779,381 0.501,382 6.784,383 2.192,384 3.436,385 2.567,386 5.194,387 3.07,388 2.116,389 2.524,390 0.056,391 6.232,392 2.005,393 3.03,394 2.356,395 4.86,396 2.876,397 1.922,398 2.067,400 5.542,401 1.823,402 2.909,403 2.214,404 4.354,405 2.65,406 1.752,407 2.038,409 4.073,410 1.565,411 2.774,412 1.758,413 3.938,414 2.42,415 1.461,416 1.781,418 3.519,419 1.394,420 2.581,421 1.453,422 3.907,423 2.159,424 1.19,425 1.562,427 2.929,428 1.147,429 2.5,430 1.29,431 3.558,432 2.044,433 1.085,434 1.5,436 2.468,437 1.035,438 2.291,439 1.006,440 3.414,441 2,442 1,443 1.245,445 2.275,446 1,447 2,448 1,449 3.414,450 1.959,451 1,452 1,454 2.275,455 0.956,456 1.764,457 1,458 3.005,459 1.541,460 0.61,461 0.662,463 1.258,464 0.561,465 1.667,466 0.994,467 2.892,468 1.361,469 0.501,470 0.564,472 0.786,473 0.428,474 15.233,475 0.462,476 0.674,477 0.02,478 38.25,479 1.159,480 16,481 0.485,482 22.25,483 0.674,484 32.526,485 0.986,486 37.567,487 0.596,488 31.112,489 0.943,490 7.232,491 0.219,492 8.852,493 0.268,494 0.109,496 0.322,501 0.84,502 1.52,503 0.812,504 1.293,505 0.73,506 1.083,507 0.978,508 1.197,509 0.906,510 1.047,511 0.698,512 0.983,513 0.975,514 1.108,515 0.883,516 0.973,517 0.87,518 0.919,519 1.044,520 1.006,521 0.963,522 0.928,523 1.11,524 0.927,525 0.889,526 1.043,527 0.899,528 0.878,529 1.085,530 0.872,531 0.991,532 1.082,533 0.929,534 0.926,535 1.019,536 0.894,537 1.215,538 1.183,539 1.124,540 1.058,541 1.507,542 1.054,543 1.212,544 1.092,545 1.2,546 1.12,547 1.588,548 1.143,549 6,550 0.161,551 3.556,552 1.75,553 1.893,554 1.375,555 0.971,556 0.599,557 0.488,558 0.315,559 14634,560 38106,561 2.079,562 47.6,563 3,564 14,566 1,567 2,569 10,572 1.759,573 1.96,574 3.539,575 0.252,577 1,582 101.81,583 1.616,584 3.749,585 4.97,586 5.382,587 5.382,588 5.382,589 3.057,590 4.681,591 5.003,592 3.729,593 1968.65,594 8.811,595 29393.6,597 1,600 376.569,601 1.35,602 4.982,603 0.167,604 0.005,605 0.073,606 0.033,607 0.039,608 0.028,609 0.019,610 0.012,611 0.011,612 0.008,613 0.394,614 0.33,615 0.88,616 1.378,617 174.264,618 -0.03,619 -0.213,620 0.059,621 -0.108,622 -0.032,623 -0.024,624 0.029,625 -0.06,626 0.042,627 0.012,628 0.065,629 0.016,630 -0.025,631 -0.063,632 0.087,633 0.025,634 0.001,635 0.066,636 -0.043,637 0.017,638 0.027,639 0.027,640 -0.055,641 0.033,642 0.06,643 0.008,644 0.085,645 0.071,646 0.014,647 0.085,648 -0.026,649 0.037,650 0.042,651 0.043,652 -0.028,653 0.062,654 -0.105,655 -0.034,656 -0.149,657 -0.075,658 -0.121,659 -0.109,660 -0.109,661 -0.005,662 -0.217,663 -0.144,664 -0.131,665 -0.191,666 2.034,667 5.982,668 0.667,669 41.592,670 1.008,671 1.14,672 2.207,673 4.869,674 0.635,675 3.611,676 3.912,677 4.19,678 4.454,679 4.762,680 4.905,681 5.081,682 5.252,683 5.434,684 5.545,685 7.223,686 0.608,687 454.59,688 3.611,689 5.142,690 5.989,691 6.862,692 7.734,693 8.62,694 9.505,695 10.4,696 11.293,697 12.193,698 9.5,700 1,705 1,707 1,708 3,715 4,716 3,720 5,722 12,739 1,741 63,743 14,745 36,747 66,748 23,749 9,752 2,756 4,757 5,763 1,767 6,770 7,772 11,773 12,777 2,782 1,785 1,786 2,790 1,793 30,794 10,795 2,796 10,802 6,804 1,808 0.75,809 4,811 1,821 1,822 1,829 4,833 1,853 1,857 1,858 1,859 3,864 2,868 33,875 1,876 8,877 1,878 2,880 2,881 1,893 6.3,894 1,896 1,897 1,898 1,901 16.833,902 11.7,903 7.472,904 4.068,907 2.583,908 1.322,909 0.925,910 7.864,911 10.599,912 3.807,913 4.317,914 4.864,915 5.413,916 5.991,917 6.338,918 6.776,919 7.167,920 7.592,921 7.923,922 1,923 53,924 12.261,926 5.19,927 0.026,929 7.768,931 23.433,933 19.11,936 2.268,937 74.833,940 1,941 329.591,942 104.022,943 88.032,945 89.828,948 104.022,949 419.419,950 88.032,951 19.708,952 27.087,953 89.123,954 100.355,955 48.289,956 9.09,957 317.82,959 329.591,960 192.054,961 89.828,964 211.88,965 153.856,966 53.683,968 85.27,969 56.672,970 50.112,972 329.591,973 177.86,974 104.022,977 329.591,978 46.837,979 60.309,980 18.011,981 156.725,982 329.591,983 177.86,984 104.022,986 0.568,987 0.331,988 0.175,989 0.103,990 22,991 10,992 0.136,993 9,994 1,995 1.091,996 4.35,997 306.174,998 0.091,999 22,1000 162.465,1005 23.557,1006 11.016,1007 5.67,1009 177.86,1010 7.103,1011 13.065,1015 3.027,1017 60.694,1018 611.473,1019 44,1024 12.982,1027 4.285,1028 0.057,1031 63.523,1032 71.81,1034 0.27,1035 0.627,1036 0.831,1037 0.9,1038 0.9,1039 0.9,1040 5.05,1041 1.752,1042 5.958,1043 5.542,1044 4.595,1045 5.004,1046 2.383,1047 6.758,1048 4.492,1049 6.214,1050 1.461,1051 7.507,1052 4.073,1053 4.111,1054 4.705,1055 1.305,1056 7.644,1057 3.966,1058 7.5,1059 1.19,1060 9.157,1061 3.519,1062 6.172,1063 7.082,1064 2.813,1065 10.756,1066 5.976,1067 8.821,1068 1.085,1069 10.869,1070 2.929,1071 6.524,1072 7.623,1073 2.535,1074 12.495,1075 6.287,1076 10.177,1077 1,1078 12.621,1079 2.468,1080 8.029,1081 9.48,1082 3.603,1083 15.136,1084 7.75,1085 11.558,1086 1,1087 14.401,1088 2.275,1089 8.783,1090 10.427,1091 3.736,1092 17.247,1093 8.461,1094 12.96,1095 0.61,1096 16.203,1097 2.275,1098 10.063,1099 12.057,1100 4.571,1101 19.734,1102 9.7,1103 3.243,1104 0.501,1105 18.022,1106 1.258,1107 11.02,1108 13.218,1109 4.903,1110 22.014,1111 10.611,1112 2.829,1113 11.33,1114 19.855,1115 0.786,1116 12.211,1117 14.739,1118 5.615,1119 24.451,1120 11.76,1121 2.65,1122 9.037,1123 21.699,1124 4.176,1125 13.269,1126 16.015,1127 6.047,1128 26.808,1129 12.77,1130 2.434,1131 8.29,1132 23.552,1133 3.756,1134 14.429,1135 17.482,1136 6.691,1137 29.231,1138 13.885,1139 2.379,1140 7.147,1141 25.414,1142 3.22,1143 15.538,1144 18.821,1145 7.176,1146 31.623,1147 14.945,1148 2.116,1149 6.784,1150 27.284,1151 2.871,1152 16.691,1153 20.262,1154 7.782,1155 34.044,1156 16.052,1157 1.922,1158 6.232,1159 29.159,1160 2.779,1161 17.826,1162 21.636,1163 8.297,1164 36.453,1165 17.137,1166 14199,1167 23104,1168 24.156,1169 39.989,1170 53.048,1171 54.422,1172 54.786,1173 52.592,1174 52.634,1175 63.799,1176 9.64,1177 148.518,1178 49.855,1179 5.553,1180 5.792,1181 6.763,1182 5.274,1183 5.243,1184 7.176,1185 3.067,1186 18.85,1187 5.089,1188 15.895,1189 1.474,1190 1.512,1191 1.522,1192 1.461,1193 1.462,1194 1.772,1195 0.268,1196 4.125,1197 1.385,1198 4.031,1199 4.074,1200 4.001,1201 3.893,1202 7.432,1203 3.912,1204 3.871,1205 3.919,1206 3.794,1207 3.745,1208 6.449,1209 3.743,1210 3.8,1211 3.841,1212 3.714,1213 3.645,1214 5.079,1215 3.664,1216 3.649,1217 3.707,1218 3.499,1219 3.457,1220 4.918,1221 3.452,1222 3.45,1223 3.515,1224 3.379,1225 3.244,1226 4.588,1227 3.257,1228 3.375,1229 3.439,1230 3.236,1231 3.156,1232 4.513,1233 3.176,1234 3.218,1235 3.288,1236 3.048,1237 2.964,1238 4.351,1239 2.973,1240 3.168,1241 3.219,1242 3.034,1243 2.941,1244 4.148,1245 2.915,1246 0.126,1247 0.105,1248 0.19,1249 0.117,1250 0.09,1251 4.553,1252 0.116,1253 3.792,1254 0.048,1255 6.828,1256 0.315,1257 4.196,1258 0.086,1259 3.243,1260 4.176,1261 1.741,1262 11.33,1263 3.089,1264 1.932,1265 1.898,1266 2.075,1267 2.094,1268 1.457,1269 2.075,1270 1.857,1271 1.809,1272 1.985,1273 2.011,1274 1.16,1275 2.019,1276 1.736,1277 1.698,1278 1.916,1279 1.922,1280 1.102,1281 1.908,1282 1.619,1283 1.557,1284 1.829,1285 1.837,1286 0.992,1287 1.85,1288 1.408,1289 1.34,1290 1.658,1291 1.643,1292 0.825,1293 1.654,1294 1.293,1295 1.239,1296 1.566,1297 1.564,1298 0.814,1299 1.553,1300 1.173,1301 1.098,1302 1.513,1303 1.466,1304 0.725,1305 1.475,1306 1.153,1307 1.064,1308 1.465,1309 1.376,1310 0.574,1311 1.429,1312 4.29,1314 5.595,1316 7.106,1318 8.718,1320 10.387,1322 3.601,1327 9.794,1328 5.374,1329 3.365,1330 10.736,1332 -0.135,1333 1.579,1340 38.309,1341 101.81,1342 236.165,1343 313.085,1344 339.059,1345 339.059,1346 339.059,1347 69.302,1348 8.017,1349 124.28,1350 124.28,1351 24,1352 12.717,1353 3.907,1354 3.17,1355 53.975,1356 133,1357 169,1358 0.188,1359 235.152,1360 415.26,1361 565.532,1362 32826,1364 23.209,1365 0.703,1366 0.577,1367 23.209,1368 19.029,1369 16.084,1370 0.447,1371 0.317,1372 11.182,1373 15.236,1374 10.959,1375 9.08,1376 16.084,1377 11.397,1378 13.938,1379 0.284,1380 0.168,1381 13.938,1382 8.209,1383 11.854,1384 0.182,1385 0.089,1386 11.854,1387 5.814,1388 9.655,1389 0.114,1390 0.047,1391 9.655,1392 3.994,1393 8.259,1394 0.071,1395 0.025,1396 8.259,1397 2.866,1398 0.292,1399 102.491,1400 0.203,1401 30.584,1402 0.528,1403 170,1404 537.915,1405 192.425,1406 504.093,1407 685.82,1408 474,1409 199,1410 501.328,1411 221.68,1412 500.591,1413 735.21,1414 470,1415 5.252}
{0 CHEMBL191676,1 1.452,2 10,3 3.444,4 11.864,5 90.93,6 7.057,7 0.522,8 3.794,9 3.918,10 3.309,11 3.342,12 4.927,13 3.305,14 4.301,15 4.506,16 3.627,17 3.689,18 5.356,19 3.646,20 4.474,21 4.636,22 3.751,23 3.865,24 5.769,25 3.795,26 4.664,27 4.893,28 3.612,29 3.85,30 5.815,31 3.737,32 4.583,33 4.834,34 3.394,35 3.68,36 5.692,37 3.549,38 4.276,39 4.532,40 3.248,41 3.435,42 5.321,43 3.324,44 3.982,45 4.146,46 3.264,47 3.328,48 5.249,49 3.262,50 4.153,51 4.346,52 3.11,53 3.246,54 5.457,55 3.179,56 0.013,57 0.579,58 8.75,59 3.836,60 5.38,61 5.201,62 0.154,63 0.911,64 16.127,65 5.67,66 12.521,67 8.039,68 0.18,69 1.044,70 18.58,71 7.688,72 43.659,73 10.343,74 0.195,75 1.143,76 24.205,77 9.216,78 48.453,79 12.611,80 0.244,81 0.993,82 23.104,83 8.521,84 58.303,85 11.612,86 0.26,87 0.755,88 16.902,89 6.188,90 33.786,91 8.679,92 0.135,93 0.614,94 11.437,95 4.673,96 15.238,97 6.273,98 0.252,99 0.642,100 15.054,101 4.854,102 58.041,103 6.155,104 41,105 32,106 0.256,107 0.493,108 0.527,109 0.56,110 0.56,111 0.56,112 3.146,113 0.918,114 -4,115 -3.95,116 -3.75,121 42.9,126 4,144 8,145 2,146 2,159 2,176 8,180 6,187 8,191 1,192 10,200 5,206 10,214 4,219 4,227 8,231 2,239 8,243 2,244 2,251 4,256 4,269 4,281 648,282 14.19,283 14.19,284 14.19,285 14.19,286 14.19,287 12.671,288 14.78,289 8.138,290 14.361,291 11.237,292 11.237,293 11.237,294 11.237,295 11.237,296 8.773,297 20.16,298 3.764,299 11.452,300 3.94,301 2.596,302 2.405,303 2.215,304 2.215,305 2.215,306 3.799,310 1,311 1,312 1,313 448,314 3.742,318 162.165,325 1.636,326 21.086,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 47,338 220,339 4.402,340 3.837,341 6.529,342 4.084,343 3.055,344 3.96,345 0.8,346 10.037,347 3.143,348 4.114,349 3.04,350 5.95,351 3.747,352 2.782,353 3.699,354 0.8,355 8.296,356 2.694,357 3.947,358 2.965,359 5.908,360 3.637,361 2.681,362 3.331,364 8.118,365 2.56,366 3.645,367 2.897,368 5.646,369 3.329,370 2.343,371 2.94,373 7.333,374 2.298,375 3.059,376 2.076,377 4.558,378 2.657,379 1.656,380 2.193,382 4.343,383 1.647,384 2.56,385 2.037,386 3.858,387 2.251,388 1.287,389 1.525,391 3.023,392 1.234,393 2.5,394 1.352,395 3.72,396 2.041,397 1.064,398 1.5,400 2.66,401 1.034,402 2.5,403 1.351,404 3.414,405 2,406 1,407 1.5,409 2.275,410 1,411 2.365,412 1,413 3.414,414 2,415 1,416 1.323,418 2.275,419 1,420 2.176,421 1,422 3.176,423 1.571,424 0.471,425 0.748,427 1.102,428 0.512,429 0.897,430 -0.022,431 2.283,432 0.481,433 -0.516,434 -0.672,436 -1.19,437 -0.511,438 0.896,439 -0.258,440 2,441 0.468,442 -0.552,443 -0.777,445 -1.239,446 -0.56,447 0.5,448 -0.6,449 2,451 -1,452 -1,454 -2,455 -0.9,456 0.5,457 -0.6,458 1.874,460 -1,461 -1,463 -2,464 -0.9,465 0.213,466 -0.626,467 1.76,468 -0.1,469 -1,470 -1.5,472 -3,473 -1,474 10.467,475 0.476,476 0.689,477 0.031,478 29.5,479 1.341,480 16,481 0.727,482 13.5,483 0.614,484 14.742,485 0.67,486 23.733,487 0.565,488 22.729,489 1.033,490 6.24,491 0.284,492 4.157,493 0.189,494 0.255,496 0.363,501 0.625,502 1.427,503 0.826,504 1.165,505 0.553,506 1.042,507 0.991,508 0.752,509 0.805,510 0.657,511 0.589,512 0.667,513 0.778,514 1.237,515 1.019,516 1.244,517 0.682,518 1.173,519 1.08,520 1.04,521 1.017,522 1.107,523 1.129,524 1.064,525 1.27,526 0.927,527 0.986,528 0.979,529 1.498,530 0.963,531 0.854,532 0.763,533 0.767,534 0.776,535 1.129,536 0.773,537 0.748,538 1.267,539 0.956,540 1.297,541 1.011,542 1.186,543 2.463,544 1.087,545 1.358,546 1.01,547 2.785,548 1.053,549 5,550 0.074,551 3.556,552 1.75,553 1.244,554 0.833,555 0.405,556 0.299,557 0.23,558 0.12,559 4683,560 11767,561 1.919,562 47.6,564 20,572 1.641,573 1.737,574 3.308,575 -0.807,577 1,579 1,582 60.98,583 1.452,584 2.797,585 2.987,586 3.178,587 3.178,588 3.178,589 2.732,590 2.914,591 4.427,592 3.455,593 798.213,594 7.589,595 8886.47,596 1,597 1,599 1,600 226.477,601 1.573,602 4.349,603 0.217,604 0.007,605 0.111,606 0.051,607 0.044,608 0.038,609 0.02,610 0.015,611 0.014,612 0.009,613 0.528,614 0.67,615 1,616 1.028,617 102.199,618 0.009,619 -0.256,620 0.044,621 -0.103,622 -0.059,623 -0.042,624 -0.116,625 0.392,626 0.146,627 0.308,628 0.017,629 0.285,630 0.129,631 -0.166,632 -0.1,633 -0.211,634 0.237,635 -0.186,636 -0.049,637 -0.09,638 -0.042,639 -0.114,641 -0.08,642 -0.078,643 -0.044,644 0.021,645 0.003,646 -0.105,647 0.02,648 0.186,649 0.156,650 0.232,651 0.203,652 -0.007,653 0.214,654 0.296,655 -0.227,656 -0.016,657 -0.273,658 0.101,659 -0.205,660 -0.395,661 -0.156,662 -0.276,663 -0.069,664 -0.375,665 -0.153,666 2.15,667 5.271,668 0.545,669 19.306,670 0.995,671 1.123,672 2.771,673 7.678,674 0.661,675 3.178,676 3.497,677 3.714,678 3.807,679 3.97,680 4.043,681 4.111,682 3.892,683 3.807,684 3.714,685 5.918,686 0.624,687 296.4,688 3.178,689 4.71,690 5.541,691 6.395,692 7.244,693 8.1,694 8.954,695 9.812,696 10.668,697 11.527,698 4.8,704 2,715 8,720 4,722 12,727 2,736 2,741 42,743 14,744 2,745 23,747 43,748 18,749 12,750 4,751 8,752 2,756 2,757 2,772 14,773 4,777 2,782 2,786 2,789 1,790 1,793 20,794 4,796 4,802 2,808 1,809 2,829 2,859 2,864 4,868 22,881 2,893 4.8,896 2,901 12.667,902 8.9,903 4.889,904 2.282,907 2.134,908 1.335,909 0.942,910 4.865,911 8.507,912 3.466,913 4.025,914 4.59,915 5.022,916 5.52,917 5.697,918 5.981,919 5.815,920 5.915,921 6.188,922 0.857,923 34,924 8.146,926 3.35,927 0.026,929 7.864,931 15.303,933 11.863,936 2.364,937 52,940 1,941 235.422,942 131.547,943 6.249,945 50.29,948 131.547,949 285.712,950 6.249,951 33.586,953 75.81,954 60.557,955 18.133,957 235.422,959 235.422,960 137.796,961 50.29,964 235.422,965 50.29,969 137.796,972 235.422,973 56.538,974 131.547,977 235.422,978 22.152,979 115.644,981 50.29,982 235.422,983 56.538,984 131.547,986 0.592,987 0.345,988 0.153,989 0.076,990 14,991 8,992 0.116,993 5,995 1,996 3.329,997 160.962,999 12,1000 64.107,1005 16.091,1006 6.651,1007 3.687,1009 56.538,1010 14.053,1015 2.79,1018 423.508,1019 31,1024 24.543,1028 -0.967,1031 41.811,1032 47.152,1034 0.269,1035 0.519,1036 0.554,1037 0.589,1038 0.589,1039 0.589,1040 4.691,1041 1,1042 5.549,1043 2.66,1044 4.174,1045 4.71,1046 1.072,1047 6.344,1048 4.151,1049 5.904,1050 1,1051 7.124,1052 2.275,1053 3.892,1054 4.511,1055 0.57,1056 7.273,1057 3.849,1058 7.205,1059 0.471,1060 8.797,1061 2.275,1062 5.771,1063 6.852,1064 0.653,1065 10.295,1066 5.738,1067 8.543,1068 -0.516,1069 10.525,1070 1.102,1071 6.256,1072 7.417,1073 0.479,1074 11.976,1075 6.224,1076 9.91,1077 -0.552,1078 12.284,1079 -1.19,1080 7.652,1081 9.262,1082 0.432,1083 14.532,1084 7.628,1085 11.296,1086 -1,1087 14.064,1088 -1.239,1089 8.456,1090 10.169,1091 0.346,1092 16.517,1093 8.451,1094 12.698,1095 -1,1096 15.858,1097 -2,1098 9.665,1099 11.794,1100 0.291,1101 18.908,1102 9.673,1103 3.055,1104 -1,1105 17.662,1106 -2,1107 10.615,1108 12.882,1109 0.237,1110 21.038,1111 10.651,1112 2.782,1113 10.037,1114 19.474,1115 -3,1116 11.747,1117 14.391,1118 0.195,1119 23.366,1120 11.804,1121 2.681,1122 8.296,1123 21.292,1124 3.96,1125 12.766,1126 15.584,1127 0.158,1128 25.57,1129 12.858,1130 2.343,1131 8.118,1132 23.115,1133 3.699,1134 13.868,1135 17.029,1136 0.129,1137 27.876,1138 13.988,1139 1.656,1140 7.333,1141 24.942,1142 3.331,1143 14.922,1144 18.286,1145 0.104,1146 30.122,1147 15.079,1148 1.287,1149 4.343,1150 26.773,1151 2.94,1152 16.015,1153 19.695,1154 0.084,1155 32.421,1156 16.205,1157 1.064,1158 3.023,1159 28.608,1160 2.193,1161 17.088,1162 20.991,1163 0.068,1164 34.69,1165 17.317,1166 4821,1167 7766,1168 14.334,1169 27.773,1170 35.58,1171 36.849,1172 36.695,1173 34.807,1174 34.677,1175 45.438,1176 3.2,1177 98.923,1178 34.242,1179 5.231,1180 5.837,1181 5.943,1182 5.084,1183 5.055,1184 6.96,1185 1.2,1186 17.17,1187 5.143,1188 14.379,1189 1.547,1190 1.602,1191 1.595,1192 1.513,1193 1.508,1194 1.976,1195 0.139,1196 4.301,1197 1.489,1198 4.002,1199 4.025,1200 3.956,1201 3.924,1202 7.497,1203 3.928,1204 3.89,1205 3.926,1206 3.829,1207 3.816,1208 7.352,1209 3.815,1210 3.558,1211 3.614,1212 3.484,1213 3.346,1214 4.742,1215 3.372,1216 3.428,1217 3.517,1218 3.27,1219 3.203,1220 4.705,1221 3.207,1222 3.241,1223 3.271,1224 3.102,1225 3.026,1226 4.183,1227 3.035,1228 2.874,1229 3.009,1230 2.687,1231 2.735,1232 4.166,1233 2.715,1234 2.874,1235 3.009,1236 2.687,1237 2.735,1238 3.674,1239 2.715,1240 2.854,1241 2.925,1242 2.67,1243 2.62,1244 3.674,1245 2.619,1246 0.191,1247 0.167,1248 0.284,1249 0.178,1250 0.133,1251 4.402,1252 0.172,1253 3.837,1254 0.035,1255 6.529,1256 0.436,1257 4.084,1258 0.137,1259 3.055,1260 3.96,1261 0.8,1262 10.037,1263 3.143,1264 1.953,1265 1.934,1266 2.046,1267 2.052,1268 1.147,1269 2.051,1270 1.882,1271 1.853,1272 1.997,1273 1.989,1274 1.1,1275 1.994,1276 1.483,1277 1.426,1278 1.739,1279 1.735,1280 0.804,1281 1.736,1282 1.405,1283 1.314,1284 1.708,1285 1.654,1286 0.772,1287 1.677,1288 1.169,1289 1.132,1290 1.417,1291 1.398,1292 0.469,1293 1.366,1294 0.934,1295 0.821,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.934,1301 0.821,1302 1.294,1303 1.239,1304 0.302,1305 1.308,1306 0.886,1307 0.804,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 3.85,1314 5.165,1316 6.673,1318 8.257,1320 9.878,1322 7.7,1333 3.881,1340 26.214,1341 60.98,1342 117.458,1343 125.458,1344 133.458,1345 133.458,1346 133.458,1347 48.124,1348 6.373,1349 40.62,1350 40.62,1351 12,1352 12.078,1353 3.907,1354 3.17,1355 42.439,1356 77,1357 70,1358 0.274,1359 166.808,1360 291.9,1361 398.771,1362 4063,1364 16.276,1365 0.74,1366 0.606,1367 16.276,1368 13.33,1369 10.397,1370 0.452,1371 0.306,1372 6.934,1373 10.038,1374 6.566,1375 5.597,1376 10.397,1377 7.037,1378 9.556,1379 0.299,1380 0.173,1381 9.556,1382 5.541,1383 7.835,1384 0.196,1385 0.087,1386 7.835,1387 3.498,1388 5.533,1389 0.126,1390 0.047,1391 5.533,1392 2.084,1393 3.973,1394 0.076,1395 0.025,1396 3.973,1397 1.274,1398 0.431,1399 65.023,1400 0.264,1401 21.885,1402 0.744,1403 110,1404 324.761,1405 117.704,1406 317.732,1407 423.5,1408 294,1409 127,1410 299.498,1411 136.091,1412 312.564,1413 447.24,1414 288,1415 4}
{0 CHEMBL1916766,1 1.406,2 7.85,3 3.626,4 13.147,5 79.467,6 7.343,7 0.696,8 3.701,9 3.814,10 3.279,11 3.317,12 4.756,13 3.288,14 4.234,15 4.384,16 3.662,17 3.736,18 5.229,19 3.682,20 4.491,21 4.701,22 3.698,23 3.818,24 5.429,25 3.741,26 4.475,27 4.69,28 3.589,29 3.721,30 5.482,31 3.639,32 4.389,33 4.62,34 3.355,35 3.58,36 5.304,37 3.482,38 4.185,39 4.417,40 3.145,41 3.415,42 5.088,43 3.302,44 3.951,45 4.189,46 2.897,47 3.228,48 4.843,49 3.097,50 3.791,51 4.024,52 2.681,53 3.124,54 4.622,55 2.963,56 0.033,57 0.499,58 7.379,59 3.331,60 6.503,61 4.322,62 0.097,63 0.827,64 13.48,65 6.009,66 10.723,67 7.988,68 0.113,69 1.062,70 19.078,71 7.585,72 17.247,73 10.375,74 0.249,75 1.052,76 19.289,77 6.949,78 29.761,79 9.416,80 0.23,81 0.925,82 18.425,83 6.451,84 25.663,85 8.547,86 0.168,87 0.753,88 14.841,89 5.483,90 20.07,91 7.363,92 0.104,93 0.611,94 11.454,95 4.407,96 14.943,97 6.129,98 0.052,99 0.519,100 9.395,101 4.014,102 10.43,103 5.662,104 2,105 33,106 0.253,107 0.626,108 0.719,109 0.807,110 0.841,111 0.841,112 3.06,113 0.925,114 -4.53,115 -4.46,116 -4.2,121 47.2,123 4,144 6,145 3,146 1,148 1,154 1,163 1,165 1,166 1,167 1,176 11,179 1,180 6,185 2,187 12,189 2,192 5,197 2,200 10,203 2,206 6,208 2,209 2,211 2,214 7,216 2,219 5,224 2,227 7,229 2,232 3,237 2,239 6,241 2,244 1,249 2,251 8,253 2,261 1,264 9,266 1,277 6,281 376,282 13.93,283 13.93,284 13.93,285 13.93,286 13.93,287 12.06,288 7.039,289 8.239,290 13.995,291 11.388,292 11.388,293 11.388,294 11.388,295 11.388,296 8.522,297 3.386,298 3.945,299 11.512,300 3.764,301 1.695,302 1.174,303 0.688,304 0.5,305 0.5,306 3.763,310 1,311 1,312 1,313 354,314 1.871,317 29.09,318 126.305,321 52.587,322 64.175,325 1.18,326 13.025,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 42,338 157,339 4.679,340 3.357,341 6.798,342 4.237,343 3.253,344 4.632,346 11.172,347 3.201,348 4.185,349 2.91,350 6.222,351 3.83,352 2.834,353 3.767,355 9.308,356 2.821,357 3.813,358 2.507,359 5.864,360 3.415,361 2.421,362 3.327,364 7.979,365 2.405,366 3.449,367 2.227,368 5.277,369 3.031,370 2.07,371 2.811,373 6.328,374 1.987,375 3.17,376 1.738,377 4.399,378 2.712,379 1.719,380 2.462,382 4.273,383 1.706,384 2.587,385 1.469,386 4.113,387 2.421,388 1.427,389 1.617,391 3.215,392 1.417,393 2.5,394 1.375,395 3.693,396 2.147,397 1.153,398 1.5,400 3.065,401 1.145,402 2.459,403 1.055,404 3.499,405 2.042,406 1.046,407 1.452,409 2.581,410 1.041,411 2.405,412 1,413 3.402,414 2,415 1,416 1.381,418 2.136,419 1,420 1.829,421 0.715,422 3.247,423 1.566,424 0.588,425 0.715,427 1.529,428 0.574,429 1.232,430 0.021,431 2.853,432 0.875,433 -0.078,434 -0.096,436 -0.203,437 -0.074,438 0.743,439 -0.535,440 2.426,441 0.342,442 -0.648,443 -0.784,445 -1.519,446 -0.638,447 0.628,448 -0.662,449 2.38,450 0.286,451 -0.704,452 -0.909,454 -1.83,455 -0.698,456 0.5,457 -0.743,458 2,459 0.075,460 -0.908,461 -1.053,463 -2.267,464 -0.891,465 0.223,466 -1,467 1.604,469 -1,470 -1.5,472 -2.347,473 -1,474 9.633,475 0.482,476 0.432,477 0.022,478 27.25,479 1.363,480 14.5,481 0.725,482 12.75,483 0.638,484 14.294,485 0.715,486 20.367,487 0.566,488 16.396,489 0.82,490 5.048,491 0.252,492 4.778,493 0.239,494 0.042,496 0.363,501 0.925,502 0.994,503 0.792,504 0.904,505 1.049,506 0.84,507 0.709,508 1.103,509 0.81,510 1.047,511 0.602,512 0.961,513 0.961,514 1.156,515 0.859,516 1.022,517 0.823,518 0.944,519 1.34,520 1.04,521 1.081,522 1.022,523 1.307,524 1.018,525 1.89,526 0.909,527 1.182,528 0.898,529 1.594,530 0.954,531 1.576,532 0.952,533 1.14,534 0.926,535 1.291,536 0.982,537 1.028,538 0.99,539 1.122,540 0.99,541 1.164,542 1.05,543 0.468,544 1.063,545 1.169,546 1.194,547 0.974,548 1.24,549 3,550 0.005,551 2.222,552 1.444,553 1.259,554 0.588,555 0.315,556 0.15,557 0.049,558 0.021,559 3886,560 8196,561 2.226,562 44.4,563 6,564 6,567 2,568 2,572 1.619,573 2.143,574 2.995,575 0.262,577 1,579 1,582 50.63,583 1.406,584 3.475,585 3.996,586 4.482,587 4.67,588 4.67,589 2.285,590 3.646,591 4.294,592 3.077,593 584.662,594 7.344,595 5713.39,596 1,597 1,598 1,599 1,600 186.117,601 1.188,602 4.278,603 0.13,604 0.002,605 0.067,606 0.044,607 0.045,608 0.027,609 0.018,610 0.011,611 0.004,612 0.003,613 0.352,614 0.83,615 1,616 0.432,617 86.703,618 -0.053,619 0.077,620 0.053,621 0.067,622 -0.099,623 0.076,624 0.184,625 -0.098,626 0.077,627 -0.062,628 0.157,629 -0.015,630 0.03,631 -0.166,632 0.098,633 -0.056,634 0.105,635 0.014,636 0.035,637 -0.004,638 -0.086,639 -0.096,640 0.017,641 -0.101,642 -0.283,643 0.085,644 -0.151,645 0.041,646 -0.272,647 -0.026,648 -0.235,649 0.02,650 -0.133,651 0.033,652 -0.144,653 -0.031,654 -0.162,656 -0.156,657 -0.026,658 -0.123,659 -0.08,660 -0.069,661 -0.101,662 -0.256,663 -0.203,664 -0.18,665 -0.24,666 0.998,667 2.41,668 0.95,669 13.6,670 0.992,671 1.114,672 3.303,673 10.908,674 0.689,675 3.178,676 3.526,677 3.871,678 4.19,679 4.454,680 4.575,681 4.745,682 4.905,683 4.977,684 4.942,685 4.687,686 0.651,687 264.35,688 3.178,689 4.727,690 5.609,691 6.509,692 7.409,693 8.318,694 9.226,695 10.139,696 11.051,697 11.967,698 5.6,702 1,708 1,714 2,715 6,716 1,718 1,720 5,722 16,733 1,741 36,743 16,744 1,745 23,747 39,748 17,749 13,750 1,751 5,756 4,757 7,767 4,770 4,772 13,773 4,789 1,790 1,792 1,793 16,794 3,795 2,796 3,802 2,808 0.5,809 1,822 1,828 1,829 3,832 1,833 1,859 2,868 20,869 1,876 4,893 2.8,898 1,901 9.333,902 6.45,903 4.306,904 2.357,907 3.118,908 1.43,909 1.068,910 2.692,911 10.367,912 3.466,913 4.139,914 4.823,915 5.491,916 6.084,917 6.516,918 7.001,919 7.472,920 7.774,921 8.046,922 0.667,923 33,924 7.4,926 3.234,927 0.026,929 7.508,931 14.543,933 12.566,936 2.008,937 40.167,938 0.001,941 164.795,942 91.309,943 49.683,945 9.507,948 91.309,949 174.303,950 49.683,952 10.138,953 89.755,954 21.193,955 23.965,956 5.449,957 164.795,959 164.795,960 140.992,961 9.507,964 164.795,965 9.507,968 17.302,969 106.904,970 16.786,972 164.795,973 59.19,974 91.309,977 164.795,978 34.452,979 56.857,981 59.19,982 164.795,983 59.19,984 91.309,986 0.584,987 0.354,988 0.202,989 0.112,990 19,991 7,992 0.026,993 1,994 2,995 1.211,996 3.294,997 163.063,998 0.211,999 19,1000 82.439,1005 11.832,1006 4.55,1007 1.907,1008 1.617,1009 59.19,1010 12.093,1011 4.676,1013 5.91,1015 5.097,1017 32.897,1018 315.295,1019 31,1031 35.716,1032 40.112,1034 0.272,1035 0.672,1036 0.773,1037 0.867,1038 0.903,1039 0.903,1040 4.7,1041 1.046,1042 5.595,1043 3.065,1044 4.205,1045 4.824,1047 6.447,1048 4.181,1049 5.924,1050 1,1051 7.172,1052 2.581,1053 3.761,1054 4.691,1056 7.398,1057 3.718,1058 7.251,1059 0.588,1060 8.855,1061 2.136,1062 5.826,1063 7.133,1065 10.557,1066 5.778,1067 8.621,1068 -0.078,1069 10.6,1070 1.529,1071 6.256,1072 7.884,1074 12.349,1075 6.189,1076 10.027,1077 -0.648,1078 12.385,1079 -0.203,1080 7.763,1081 9.769,1083 15.011,1084 7.69,1085 11.46,1086 -0.704,1087 14.196,1088 -1.519,1089 8.592,1090 10.927,1092 17.138,1093 8.5,1094 12.911,1095 -0.908,1096 16.026,1097 -1.83,1098 9.881,1099 12.592,1101 19.631,1102 9.779,1103 3.253,1104 -1,1105 17.869,1106 -2.267,1107 10.893,1108 13.945,1110 21.906,1111 10.773,1112 2.834,1113 11.172,1114 19.723,1115 -2.347,1116 12.097,1117 15.521,1119 24.339,1120 11.964,1121 2.421,1122 9.308,1123 21.584,1124 4.632,1125 13.193,1126 16.967,1128 26.681,1129 13.041,1130 2.07,1131 7.979,1132 23.452,1133 3.767,1134 14.367,1135 18.511,1137 29.094,1138 14.201,1139 1.719,1140 6.328,1141 25.325,1142 3.327,1143 15.501,1144 20,1146 31.468,1147 15.317,1148 1.427,1149 4.273,1150 27.203,1151 2.811,1152 16.668,1153 21.532,1155 33.875,1156 16.468,1157 1.153,1158 3.215,1159 29.085,1160 2.462,1161 17.82,1162 23.043,1164 36.267,1165 17.602,1166 3618,1167 5370,1168 16.008,1169 24.796,1170 35.195,1171 35.179,1172 35.635,1173 35.06,1174 35.019,1175 47.33,1177 103.169,1178 34.596,1179 5.624,1180 5.357,1181 6.6,1182 5.28,1183 5.253,1184 7.632,1186 18.723,1187 5.201,1188 5.048,1189 1.53,1190 1.53,1191 1.549,1192 1.524,1193 1.523,1194 2.058,1196 4.486,1197 1.504,1198 4.14,1199 4.156,1200 4.113,1201 4.034,1202 5.246,1203 4.049,1204 3.873,1205 3.906,1206 3.801,1207 3.811,1208 4.945,1209 3.805,1210 3.675,1211 3.715,1212 3.566,1213 3.56,1214 4.705,1215 3.556,1216 3.22,1217 3.287,1218 3.105,1219 3.05,1220 4.385,1221 3.054,1222 3.103,1223 3.179,1224 2.964,1225 2.935,1226 3.909,1227 2.927,1228 2.854,1229 2.973,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 2.854,1235 2.925,1236 2.645,1237 2.66,1238 3.642,1239 2.646,1240 2.753,1241 2.81,1242 2.626,1243 2.533,1244 3.519,1245 2.558,1246 0.203,1247 0.146,1248 0.296,1249 0.184,1250 0.141,1251 4.679,1252 0.201,1253 3.357,1255 6.798,1256 0.486,1257 4.237,1258 0.139,1259 3.253,1260 4.632,1262 11.172,1263 3.201,1264 1.976,1265 1.947,1266 2.096,1267 2.089,1268 1.414,1269 2.09,1270 1.903,1271 1.88,1272 2.02,1273 1.986,1274 1.101,1275 1.998,1276 1.573,1277 1.528,1278 1.738,1279 1.722,1280 0.931,1281 1.734,1282 1.288,1283 1.274,1284 1.458,1285 1.519,1286 0.741,1287 1.481,1288 1.117,1289 1.036,1290 1.396,1291 1.336,1292 0.495,1293 1.371,1294 0.886,1295 0.821,1296 1.181,1297 1.193,1298 0.276,1299 1.198,1300 0.86,1301 0.814,1302 1.136,1303 1.062,1304 0.218,1305 1.107,1306 0.768,1307 0.665,1308 1.096,1309 1.021,1311 1.049,1312 3.85,1314 5.187,1315 2.398,1316 6.739,1317 4.727,1318 8.388,1319 6.862,1320 10.088,1326 6.331,1328 4.442,1340 23.445,1341 50.63,1342 125.098,1343 143.853,1344 161.362,1345 168.117,1346 168.117,1347 22.749,1348 7.249,1349 52.05,1350 52.05,1351 23,1352 12.479,1353 4.087,1354 3.17,1355 26.128,1356 59,1357 52,1358 0.237,1359 141.36,1360 232.83,1361 336.678,1362 12573,1364 13.527,1365 0.676,1366 0.561,1367 13.527,1368 11.225,1369 9.826,1370 0.427,1371 0.308,1372 7.037,1373 9.619,1374 6.902,1375 5.694,1376 9.826,1377 7.089,1378 8.857,1379 0.268,1380 0.162,1381 8.857,1382 5.353,1383 8.026,1384 0.171,1385 0.086,1386 8.026,1387 4.061,1388 7.035,1389 0.108,1390 0.046,1391 7.035,1392 2.99,1393 5.818,1394 0.068,1395 0.025,1396 5.818,1397 2.15,1398 0.357,1399 60.472,1400 0.25,1401 19.527,1402 0.694,1403 112,1404 268.693,1405 119.399,1406 266.402,1407 383.55,1408 252,1409 136,1410 302.935,1411 144.148,1412 307.1,1413 457.4,1414 292,1415 4}
{0 CHEMBL1916768,1 1.277,2 8,3 5.398,4 29.142,5 106.387,6 7.223,7 0.733,8 3.952,9 4.074,10 3.52,11 3.596,12 4.993,13 3.554,14 4.478,15 4.636,16 3.9,17 4.018,18 5.437,19 3.952,20 4.762,21 4.979,22 3.994,23 4.143,24 5.668,25 4.059,26 4.781,27 5,28 3.987,29 4.143,30 5.735,31 4.058,32 4.795,33 5.015,34 3.971,35 4.174,36 5.728,37 4.084,38 4.792,39 5.005,40 3.933,41 4.193,42 5.737,43 4.085,44 4.789,45 5.015,46 3.766,47 4.14,48 5.702,49 3.998,50 4.755,51 5.012,52 3.459,53 4.008,54 5.553,55 3.813,56 0.05,57 0.655,58 9.667,59 4.171,60 8.826,61 5.708,62 0.102,63 1.103,64 17.242,65 7.461,66 11.833,67 10.335,68 0.157,69 1.467,70 24.875,71 9.721,72 20.257,73 13.751,74 0.252,75 1.537,76 25.542,77 9.397,78 28.538,79 13.281,80 0.221,81 1.536,82 25.931,83 9.534,84 27.395,85 13.46,86 0.174,87 1.492,88 25.46,89 10.198,90 27.938,91 14.327,92 0.158,93 1.452,94 25.734,95 10.691,96 30.321,97 15.051,98 0.136,99 1.352,100 25.79,101 11.097,102 27.976,103 15.739,104 2,105 43,106 0.215,107 0.547,108 0.656,109 0.777,110 0.833,111 0.84,112 3.306,113 0.926,114 -5.93,115 -5.78,116 -5.38,121 48.9,123 4,144 11,145 3,146 2,148 1,154 1,163 1,165 1,166 1,167 1,176 15,179 1,180 8,185 2,187 16,189 2,192 7,197 2,200 12,203 2,206 9,208 2,209 2,211 2,214 13,216 2,219 7,224 2,227 17,229 2,232 4,237 4,239 21,241 4,244 1,249 4,251 24,253 4,261 2,264 21,266 2,277 11,281 938,282 18.259,283 18.259,284 18.259,285 18.259,286 18.259,287 15.679,288 13.363,289 10.901,290 18.413,291 14.865,292 14.865,293 14.865,294 14.865,295 14.865,296 10.982,297 8.386,298 5.214,299 15.166,300 4.277,301 2.3,302 1.65,303 0.926,304 0.596,305 0.553,306 4.023,311 1,312 1,313 469,314 2.121,317 39.111,318 223.915,321 71.18,322 88.498,325 1.077,326 12.135,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 53.5,338 208,339 4.807,340 3.469,341 7.099,342 4.351,343 3.392,344 4.777,346 12.334,347 3.258,348 4.311,349 3.133,350 6.581,351 3.945,352 2.97,353 3.921,355 10.363,356 2.894,357 3.929,358 2.575,359 5.932,360 3.521,361 2.535,362 3.494,364 8.191,365 2.496,366 3.764,367 2.493,368 5.783,369 3.361,370 2.372,371 3.268,373 7.754,374 2.344,375 3.461,376 2.181,377 5.248,378 3.015,379 2.054,380 2.848,382 6.182,383 1.971,384 3.185,385 1.776,386 4.619,387 2.717,388 1.736,389 2.485,391 4.511,392 1.701,393 2.927,394 1.588,395 4.322,396 2.495,397 1.509,398 2.099,400 3.707,401 1.487,402 2.582,403 1.438,404 3.737,405 2.42,406 1.425,407 1.61,409 3.066,410 1.417,411 2.5,412 1.31,413 3.664,414 2.102,415 1.119,416 1.5,418 2.851,419 1.099,420 2.5,421 1.053,422 3.506,423 2.03,424 1.043,425 1.5,427 2.582,428 1.028,429 2.462,430 1,431 3.452,432 2,433 1,434 1.455,436 2.136,437 1,438 2.427,439 1,440 3.247,441 2,442 1,443 1.406,445 2.136,446 1,447 1.887,448 0.795,449 3.247,450 1.639,451 0.672,452 0.801,454 1.753,455 0.648,456 1.313,457 0.123,458 3,459 0.948,465 0.89,466 -0.337,467 2.623,468 0.555,469 -0.417,470 -0.508,472 -1.053,473 -0.404,474 12.7,475 0.488,476 0.518,477 0.02,478 37,479 1.423,480 20.5,481 0.788,482 16.5,483 0.635,484 20.02,485 0.77,486 25.7,487 0.547,488 25.598,489 0.985,490 6.965,491 0.268,492 5.861,493 0.225,494 0.031,496 0.346,501 1.037,502 1.049,503 0.813,504 0.88,505 1.092,506 0.839,507 0.751,508 1.165,509 0.864,510 1.035,511 0.669,512 0.973,513 1.155,514 1.154,515 0.871,516 0.949,517 0.836,518 0.9,519 1.468,520 1.033,521 1.001,522 0.916,523 1.249,524 0.923,525 1.69,526 0.929,527 1.045,528 0.85,529 1.289,530 0.891,531 1.261,532 1.007,533 1.076,534 1.003,535 1.048,536 1.022,537 1.062,538 1.052,539 1.176,540 1.14,541 1.282,542 1.162,543 0.73,544 1.048,545 1.185,546 1.216,547 1.18,548 1.231,549 3,550 0.005,551 2.667,552 2.104,553 1.9,554 1.074,555 0.596,556 0.296,557 0.138,558 0.043,559 7401,560 14950,561 2.241,562 44.7,563 6,564 11,567 2,568 2,572 1.701,573 2.167,574 2.997,575 0.137,582 60.03,583 1.277,584 3.254,585 3.904,586 4.629,587 4.959,588 5.001,589 2.286,590 4.316,591 4.671,592 3.13,593 1017.31,594 8.153,595 12091,600 261.066,601 1.142,602 4.66,603 0.1,604 0.002,605 0.062,606 0.046,607 0.042,608 0.024,609 0.014,610 0.008,611 0.006,612 0.004,613 0.307,614 0.67,615 0.75,616 0.362,617 122.621,618 -0.034,619 0.014,620 0.06,621 0.057,622 -0.099,623 0.064,624 0.192,625 -0.142,626 0.039,627 -0.082,628 0.06,629 -0.042,630 0.056,631 -0.124,632 0.1,634 0.092,635 0.043,636 0.033,637 0.049,638 -0.017,639 0.004,640 -0.003,641 -0.007,642 -0.257,643 0.145,644 -0.066,645 0.078,646 -0.117,647 0.031,648 -0.176,649 0.01,650 -0.122,651 -0.046,652 0.003,653 -0.074,654 -0.173,655 -0.079,656 -0.221,657 -0.162,658 -0.14,659 -0.189,660 -0.089,661 -0.14,662 -0.212,663 -0.203,664 -0.192,665 -0.214,666 0.753,667 2.625,668 0.962,669 19.615,670 0.984,671 1.111,672 4.698,673 22.068,674 0.699,675 3.434,676 3.784,677 4.159,678 4.522,679 4.844,680 5.024,681 5.263,682 5.468,683 5.583,684 5.609,685 5.099,686 0.655,687 339.47,688 3.434,689 4.99,690 5.883,691 6.795,692 7.712,693 8.639,694 9.568,695 10.502,696 11.437,697 12.376,698 6.4,702 1,706 1,708 1,714 2,715 11,716 1,720 6,721 1,722 22,733 1,741 47,743 22,744 2,745 30,747 51,748 23,749 19,750 2,751 10,756 5,757 8,767 4,770 4,772 19,773 4,793 21,794 2,795 2,796 3,802 3,808 0.6,822 1,824 1,828 1,829 4,832 1,833 1,859 3,868 26,869 1,876 4,901 12,902 8.4,903 5.639,904 3.035,907 3.927,908 1.495,909 1.081,910 3.703,911 11.863,912 3.738,913 4.41,914 5.114,915 5.817,916 6.469,917 6.946,918 7.511,919 8.04,920 8.435,921 8.778,922 0.667,923 46,924 9.613,926 4.183,927 0.026,929 7.436,931 19.025,933 16.476,936 1.936,937 50.333,941 223.651,942 136.063,943 51.582,948 136.063,949 223.651,950 51.582,952 10.138,953 137.136,954 18.501,955 19.113,956 2.757,957 223.651,959 223.651,960 187.645,964 223.651,968 16.509,969 154.35,970 16.786,972 223.651,973 51.582,974 136.063,977 223.651,978 31.825,979 106.138,981 49.683,982 223.651,983 51.582,984 136.063,986 0.579,987 0.354,988 0.211,989 0.124,990 24,991 9,992 0.039,993 2,994 2,995 1.16,996 3.733,997 246.331,998 0.16,999 25,1000 114.211,1005 15.51,1006 6.207,1007 2.522,1008 2.029,1009 49.683,1010 23.115,1011 5.082,1015 6.769,1016 2.246,1017 32.897,1018 411.296,1019 41,1031 46.258,1032 52.232,1034 0.23,1035 0.586,1036 0.703,1037 0.833,1038 0.893,1039 0.9,1040 4.973,1041 1.425,1042 5.866,1043 3.707,1044 4.466,1045 5.097,1047 6.746,1048 4.42,1049 6.197,1050 1.119,1051 7.456,1052 3.066,1053 4.007,1054 4.913,1056 7.774,1057 3.909,1058 7.524,1059 1.043,1060 9.157,1061 2.851,1062 6.103,1063 7.401,1065 10.976,1066 5.996,1067 8.896,1068 1,1069 10.925,1070 2.582,1071 6.553,1072 8.13,1074 12.883,1075 6.383,1076 10.307,1077 1,1078 12.736,1079 2.136,1080 8.079,1081 10.045,1083 15.6,1084 7.898,1085 11.747,1086 0.672,1087 14.578,1088 2.136,1089 8.945,1090 11.207,1092 17.851,1093 8.703,1094 13.21,1096 16.441,1097 1.753,1098 10.254,1099 12.894,1101 20.415,1102 9.991,1103 3.392,1104 -0.417,1105 18.318,1107 11.31,1108 14.265,1110 22.809,1111 10.99,1112 2.97,1113 12.334,1114 20.208,1115 -1.053,1116 12.541,1117 15.864,1119 25.324,1120 12.19,1121 2.535,1122 10.363,1123 22.107,1124 4.777,1125 13.681,1126 17.335,1128 27.779,1129 13.278,1130 2.372,1131 8.191,1132 24.014,1133 3.921,1134 14.888,1135 18.902,1137 30.281,1138 14.449,1139 2.054,1140 7.754,1141 25.927,1142 3.494,1143 16.065,1144 20.42,1146 32.763,1147 15.578,1148 1.736,1149 6.182,1150 27.846,1151 3.268,1152 17.268,1153 21.978,1155 35.264,1156 16.742,1157 1.509,1158 4.511,1159 29.769,1160 2.848,1161 18.462,1162 23.518,1164 37.758,1165 17.891,1166 6813,1167 9806,1168 20.978,1169 32.87,1170 45.952,1171 45.852,1172 46.605,1173 45.713,1174 45.652,1175 62.329,1177 135.131,1178 44.684,1179 5.751,1180 5.469,1181 6.901,1182 5.401,1183 5.392,1184 7.777,1186 20.078,1187 5.258,1188 6.054,1189 1.532,1190 1.528,1191 1.554,1192 1.524,1193 1.522,1194 2.078,1196 4.504,1197 1.489,1198 4.19,1199 4.224,1200 4.165,1201 4.092,1202 5.16,1203 4.106,1204 3.883,1205 3.92,1206 3.812,1207 3.815,1208 4.873,1209 3.809,1210 3.843,1211 3.875,1212 3.77,1213 3.787,1214 4.719,1215 3.779,1216 3.661,1217 3.711,1218 3.553,1219 3.564,1220 4.644,1221 3.556,1222 3.239,1223 3.318,1224 3.127,1225 3.081,1226 4.278,1227 3.082,1228 3.104,1229 3.182,1230 2.965,1231 2.936,1232 3.905,1233 2.928,1234 2.886,1235 2.983,1236 2.73,1237 2.739,1238 3.674,1239 2.731,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.16,1247 0.116,1248 0.237,1249 0.145,1250 0.113,1251 4.807,1252 0.159,1253 3.469,1255 7.099,1256 0.411,1257 4.351,1258 0.109,1259 3.392,1260 4.777,1262 12.334,1263 3.258,1264 1.992,1265 1.959,1266 2.101,1267 2.111,1268 1.417,1269 2.107,1270 1.943,1271 1.916,1272 2.049,1273 2.028,1274 1.15,1275 2.037,1276 1.853,1277 1.823,1278 1.988,1279 1.936,1280 1.065,1281 1.956,1282 1.575,1283 1.527,1284 1.74,1285 1.718,1286 0.934,1287 1.733,1288 1.365,1289 1.318,1290 1.486,1291 1.538,1292 0.744,1293 1.527,1294 1.117,1295 1.036,1296 1.438,1297 1.338,1298 0.6,1299 1.375,1300 0.939,1301 0.881,1302 1.181,1303 1.2,1304 0.391,1305 1.209,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 4.111,1314 5.451,1315 2.398,1316 7.013,1317 4.844,1318 8.675,1319 7.081,1320 10.392,1326 6.625,1328 4.468,1340 30.805,1341 60.03,1342 152.958,1343 183.502,1344 217.556,1345 233.066,1346 235.066,1347 29.65,1348 7.936,1349 43.84,1350 43.84,1351 29,1352 12.873,1353 4.524,1354 3.585,1355 33.471,1356 78,1357 78,1358 0.213,1359 185.536,1360 307.66,1361 444.468,1362 28486,1364 17.51,1365 0.673,1366 0.564,1367 17.51,1368 14.651,1369 12.826,1370 0.428,1371 0.309,1372 9.215,1373 12.648,1374 9.021,1375 7.462,1376 12.826,1377 9.263,1378 11.404,1379 0.265,1380 0.162,1381 11.404,1382 6.962,1383 10.426,1384 0.165,1385 0.085,1386 10.426,1387 5.353,1388 9.361,1389 0.103,1390 0.045,1391 9.361,1392 4.062,1393 8.132,1394 0.065,1395 0.024,1396 8.132,1397 3.025,1398 0.315,1399 78.156,1400 0.218,1401 24.213,1402 0.648,1403 146,1404 310.602,1405 152.217,1406 318.314,1407 465.88,1408 302,1409 179,1410 371.887,1411 186.494,1412 381.792,1413 569.63,1414 364,1415 4.342}
{0 CHEMBL1916770,1 1.385,2 8.524,3 4.112,4 16.909,5 84.509,6 7.138,7 0.667,8 3.77,9 3.886,10 3.322,11 3.379,12 4.807,13 3.343,14 4.312,15 4.474,16 3.715,17 3.801,18 5.282,19 3.742,20 4.555,21 4.757,22 3.758,23 3.902,24 5.5,25 3.819,26 4.594,27 4.822,28 3.633,29 3.819,30 5.567,31 3.718,32 4.486,33 4.733,34 3.397,35 3.651,36 5.357,37 3.54,38 4.229,39 4.454,40 3.243,41 3.48,42 5.142,43 3.375,44 4.073,45 4.294,46 3.026,47 3.345,48 4.984,49 3.225,50 3.965,51 4.205,52 2.84,53 3.275,54 4.761,55 3.111,56 0.038,57 0.54,58 8.317,59 3.698,60 6.974,61 4.897,62 0.113,63 0.897,64 15.259,65 6.656,66 11.523,67 9.004,68 0.118,69 1.137,70 20.412,71 8.172,72 18.402,73 11.27,74 0.267,75 1.17,76 22.224,77 8.058,78 32.74,79 11.184,80 0.243,81 1.005,82 20.677,83 7.232,84 26.159,85 9.887,86 0.154,87 0.787,88 15.424,89 5.744,90 19.612,91 7.825,92 0.151,93 0.675,94 13.143,95 4.9,96 18.184,97 6.652,98 0.056,99 0.615,100 11.411,101 4.874,102 10.486,103 6.942,104 5,105 35,106 0.245,107 0.622,108 0.753,109 0.815,110 0.833,111 0.833,112 3.105,113 0.937,114 -4.77,115 -4.68,116 -4.4,121 46.2,122 1,123 4,144 5,145 4,146 1,148 1,154 1,163 1,165 1,166 1,167 1,176 12,179 1,180 6,185 2,187 14,189 2,192 5,197 2,200 12,203 2,206 6,208 2,209 2,211 2,214 8,216 2,219 5,224 2,227 7,229 2,232 4,237 2,239 7,241 2,244 1,249 2,251 9,253 2,256 1,261 1,264 9,266 1,274 1,277 7,279 1,281 432,282 14.378,283 14.378,284 14.378,285 14.378,286 14.378,287 12.482,288 9.464,289 8.326,290 14.443,291 11.854,292 11.854,293 11.854,294 11.854,295 11.854,296 8.927,297 4.857,298 3.982,299 11.979,300 3.9,301 1.776,302 1.035,303 0.686,304 0.583,305 0.583,306 3.805,311 1,312 1,313 401,314 2,317 31.671,318 137.352,321 57.368,322 70.155,325 1.356,326 13.847,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 44,338 179,339 4.68,340 3.357,341 6.798,342 4.237,343 3.253,344 4.632,346 11.172,347 3.202,348 4.206,349 2.926,350 6.224,351 3.845,352 2.849,353 3.811,355 9.317,356 2.837,357 3.887,358 2.617,359 5.869,360 3.483,361 2.487,362 3.429,364 8.003,365 2.475,366 3.551,367 2.362,368 5.28,369 3.197,370 2.202,371 2.904,373 6.349,374 2.192,375 3.434,376 2.197,377 5.027,378 3.008,379 2.048,380 2.796,382 6.009,383 1.963,384 2.762,385 1.525,386 4.259,387 2.453,388 1.461,389 1.872,391 3.755,392 1.448,393 2.5,394 1.377,395 4.111,396 2.244,397 1.246,398 1.5,400 3.214,401 1.243,402 2.482,403 1.278,404 3.684,405 2.142,406 1.15,407 1.48,409 3.02,410 1.14,411 2.405,412 1,413 3.419,414 2,415 1,416 1.381,418 2.275,419 1,420 1.831,421 0.727,422 3.414,423 1.571,424 0.593,425 0.719,427 1.541,428 0.579,429 1.262,430 0.086,431 2.86,432 0.915,433 -0.048,434 -0.06,436 -0.122,437 -0.046,438 1.082,439 -0.035,440 2.532,441 0.753,442 -0.235,443 -0.293,445 -0.536,446 -0.233,447 0.629,448 -0.539,449 2.399,450 0.3,451 -0.682,452 -0.799,454 -1.808,455 -0.668,456 0.5,457 -0.738,458 2,459 0.077,460 -0.907,461 -1.041,463 -2.26,464 -0.89,465 0.223,466 -0.951,467 2,469 -1,470 -1.341,472 -2.948,473 -1,474 10.133,475 0.483,476 0.538,477 0.026,478 27.75,479 1.321,480 14.5,481 0.69,482 13.25,483 0.631,484 16.205,485 0.772,486 21.667,487 0.556,488 17.094,489 0.814,490 5.089,491 0.242,492 5.131,493 0.244,494 0.089,496 0.395,501 0.926,502 1.021,503 0.822,504 0.937,505 1.079,506 0.874,507 0.695,508 1.052,509 0.769,510 0.988,511 0.56,512 0.906,513 0.974,514 1.211,515 0.919,516 1.086,517 0.861,518 1.011,519 1.269,520 1.052,521 1.077,522 1.043,523 1.283,524 1.037,525 1.807,526 0.868,527 1.102,528 0.852,529 1.528,530 0.899,531 1.553,532 1.002,533 1.097,534 0.967,535 1.229,536 0.987,537 1.667,538 0.961,539 1.241,540 0.958,541 1.495,542 1.048,543 0.406,544 1.121,545 1.096,546 1.193,547 0.862,548 1.208,549 4,550 0.038,551 2.667,552 1.507,553 1.45,554 0.699,555 0.364,556 0.247,557 0.092,558 0.085,559 4445,560 8997,561 2.185,562 46.2,563 9,564 5,567 2,568 2,572 1.632,573 2.066,574 3.091,575 0.237,577 1,582 54.013,583 1.385,584 3.509,585 4.25,586 4.599,587 4.702,588 4.702,589 2.553,590 4.107,591 4.363,592 3.185,593 668.906,594 7.476,595 6795.96,597 1,598 1,599 1,600 206.131,601 1.342,602 4.334,603 0.167,604 0.009,605 0.076,606 0.043,607 0.05,608 0.03,609 0.018,610 0.015,611 0.007,612 0.009,613 0.426,614 0.83,615 1,616 0.532,617 93.263,618 -0.043,619 0.071,620 0.055,621 0.063,622 -0.114,623 0.072,624 0.202,625 -0.034,626 0.144,627 0.016,628 0.205,629 0.064,630 0.02,631 -0.202,632 0.032,633 -0.113,634 0.077,635 -0.052,636 0.053,637 -0.029,638 -0.079,639 -0.106,640 0.011,641 -0.105,642 -0.232,643 0.114,644 -0.067,645 0.09,646 -0.228,647 0.039,648 -0.182,649 -0.016,650 -0.098,651 -0.009,652 -0.068,653 -0.04,654 -0.315,655 0.033,656 -0.251,657 0.001,658 -0.282,659 -0.104,660 -0.019,661 -0.162,662 -0.178,663 -0.194,664 -0.116,665 -0.201,666 0.997,667 2.45,668 0.905,669 14.844,670 0.99,671 1.116,672 3.54,673 12.534,674 0.681,675 3.219,676 3.584,677 3.912,678 4.22,679 4.5,680 4.635,681 4.779,682 4.963,683 5.069,684 5.037,685 4.988,686 0.64,687 278.38,688 3.219,689 4.779,690 5.659,691 6.561,692 7.46,693 8.368,694 9.275,695 10.188,696 11.098,697 12.014,698 5.1,702 1,708 1,714 2,715 5,716 1,718 1,720 6,722 16,733 1,741 39,743 16,744 1,745 24,747 42,748 18,749 13,750 2,751 4,756 4,757 7,763 1,767 4,770 4,772 13,773 5,790 1,792 1,793 18,794 3,795 2,796 3,802 2,808 0.5,809 1,822 1,828 1,829 3,832 1,833 1,859 2,864 1,868 21,869 1,876 4,893 2.6,898 1,901 10.167,902 7.367,903 4.472,904 2.551,907 3.14,908 1.426,909 1.055,910 2.914,911 10.503,912 3.497,913 4.186,914 4.859,915 5.518,916 6.122,917 6.567,918 7.029,919 7.523,920 7.866,921 8.14,922 0.833,923 35,924 7.775,926 3.382,927 0.026,929 7.492,931 15.317,933 13.209,936 1.992,937 41.833,938 0.001,941 188.338,942 93.844,943 49.683,945 9.507,948 93.844,949 197.845,950 49.683,951 8.825,952 10.138,953 80.278,954 21.193,955 27.151,956 5.449,957 188.338,959 188.338,960 143.527,961 9.507,964 188.338,965 9.507,968 26.127,969 100.614,970 16.786,972 188.338,973 59.19,974 93.844,977 188.338,978 37.638,979 56.206,981 59.19,982 188.338,983 59.19,984 93.844,986 0.592,987 0.354,988 0.194,989 0.11,990 20,991 8,992 0.024,993 1,994 2,995 1.211,996 3.361,997 173.76,998 0.211,999 19,1000 88.239,1005 12.755,1006 4.798,1007 2.097,1008 1.62,1009 59.19,1010 10.345,1011 4.694,1013 5.95,1015 6.35,1017 32.897,1018 341.372,1019 32,1031 38.6,1032 43.528,1034 0.262,1035 0.664,1036 0.804,1037 0.87,1038 0.89,1039 0.89,1040 4.745,1041 1.15,1042 5.659,1043 3.214,1044 4.263,1045 4.871,1047 6.512,1048 4.24,1049 5.981,1050 1,1051 7.242,1052 3.02,1053 3.892,1054 4.808,1056 7.462,1057 3.854,1058 7.317,1059 0.593,1060 8.924,1061 2.275,1062 5.894,1063 7.189,1065 10.599,1066 5.849,1067 8.691,1068 -0.048,1069 10.664,1070 1.541,1071 6.347,1072 7.963,1074 12.374,1075 6.286,1076 10.098,1077 -0.235,1078 12.442,1079 -0.122,1080 7.824,1081 9.819,1083 15.03,1084 7.755,1085 11.528,1086 -0.682,1087 14.245,1088 -0.536,1089 8.655,1090 10.981,1092 17.149,1093 8.569,1094 12.977,1095 -0.907,1096 16.067,1097 -1.808,1098 9.929,1099 12.632,1101 19.64,1102 9.832,1103 3.253,1104 -1,1105 17.903,1106 -2.26,1107 10.937,1108 13.982,1110 21.911,1111 10.822,1112 2.849,1113 11.172,1114 19.75,1115 -2.948,1116 12.133,1117 15.551,1119 24.343,1120 12.005,1121 2.487,1122 9.317,1123 21.606,1124 4.632,1125 13.224,1126 16.994,1128 26.684,1129 13.078,1130 2.202,1131 8.003,1132 23.47,1133 3.811,1134 14.394,1135 18.532,1137 29.096,1138 14.233,1139 2.048,1140 6.349,1141 25.34,1142 3.429,1143 15.525,1144 20.019,1146 31.47,1147 15.346,1148 1.461,1149 6.009,1150 27.215,1151 2.904,1152 16.688,1153 21.548,1155 33.877,1156 16.493,1157 1.246,1158 3.755,1159 29.094,1160 2.796,1161 17.838,1162 23.057,1164 36.268,1165 17.625,1166 4170,1167 6057,1168 16.414,1169 26.557,1170 36.807,1171 36.699,1172 37.837,1173 36.612,1174 36.581,1175 49.051,1177 109.306,1178 36.159,1179 5.624,1180 5.357,1181 6.479,1182 5.281,1183 5.253,1184 7.632,1186 18.723,1187 5.202,1188 7.867,1189 1.534,1190 1.529,1191 1.577,1192 1.525,1193 1.524,1194 2.044,1196 4.554,1197 1.507,1198 4.142,1199 4.157,1200 4.115,1201 4.037,1202 5.246,1203 4.052,1204 3.894,1205 3.926,1206 3.827,1207 3.835,1208 4.944,1209 3.83,1210 3.689,1211 3.728,1212 3.581,1213 3.573,1214 4.695,1215 3.569,1216 3.261,1217 3.328,1218 3.137,1219 3.119,1220 4.387,1221 3.113,1222 3.136,1223 3.221,1224 2.989,1225 2.949,1226 3.932,1227 2.942,1228 3.026,1229 3.108,1230 2.84,1231 2.862,1232 3.772,1233 2.848,1234 2.854,1235 2.966,1236 2.687,1237 2.735,1238 3.674,1239 2.715,1240 2.85,1241 2.925,1242 2.639,1243 2.537,1244 3.642,1245 2.561,1246 0.195,1247 0.14,1248 0.283,1249 0.177,1250 0.136,1251 4.68,1252 0.193,1253 3.357,1255 6.798,1256 0.465,1257 4.237,1258 0.133,1259 3.253,1260 4.632,1262 11.172,1263 3.202,1264 1.977,1265 1.948,1266 2.096,1267 2.089,1268 1.414,1269 2.09,1270 1.926,1271 1.903,1272 2.044,1273 2.007,1274 1.155,1275 2.02,1276 1.577,1277 1.531,1278 1.743,1279 1.723,1280 0.942,1281 1.735,1282 1.362,1283 1.338,1284 1.572,1285 1.576,1286 0.741,1287 1.563,1288 1.133,1289 1.053,1290 1.455,1291 1.371,1292 0.662,1293 1.399,1294 1.021,1295 0.946,1296 1.298,1297 1.261,1298 0.423,1299 1.287,1300 0.886,1301 0.821,1302 1.181,1303 1.184,1304 0.218,1305 1.194,1306 0.85,1307 0.805,1308 1.136,1309 1.062,1310 0.187,1311 1.107,1312 3.892,1314 5.242,1315 2.398,1316 6.797,1317 4.727,1318 8.445,1319 6.862,1320 10.143,1322 2.079,1326 6.355,1328 4.439,1340 24.972,1341 54.013,1342 136.858,1343 165.766,1344 179.376,1345 183.376,1346 183.376,1347 24.984,1348 7.363,1349 52.05,1350 52.05,1351 23,1352 12.526,1353 4.087,1354 3.17,1355 28.018,1356 66,1357 65,1358 0.227,1359 150.952,1360 250.13,1361 360.083,1362 14490,1364 14.397,1365 0.686,1366 0.578,1367 14.397,1368 12.148,1369 10.22,1370 0.426,1371 0.312,1372 7.448,1373 10.013,1374 7.239,1375 6.001,1376 10.22,1377 7.5,1378 9.479,1379 0.271,1380 0.167,1381 9.479,1382 5.853,1383 8.437,1384 0.172,1385 0.089,1386 8.437,1387 4.339,1388 7.187,1389 0.107,1390 0.046,1391 7.187,1392 3.106,1393 6.042,1394 0.068,1395 0.026,1396 6.042,1397 2.284,1398 0.345,1399 62.836,1400 0.247,1401 20.476,1402 0.654,1403 118,1404 276.693,1405 125.399,1406 275.259,1407 396.1,1408 260,1409 143,1410 312.935,1411 151.148,1412 318.82,1413 473.58,1414 302,1415 4}
{0 CHEMBL191688,1 1.36,2 3.667,3 0.495,4 0.246,5 33.515,6 6.641,8 2.999,9 3.113,10 2.443,11 2.543,12 4.048,13 2.49,14 3.6,15 3.792,16 2.765,17 2.92,18 4.558,19 2.834,20 3.913,21 4.131,22 2.799,23 2.943,24 5.138,25 2.859,26 3.738,27 3.964,28 2.202,29 2.524,30 5.192,31 2.385,32 3.141,33 3.505,34 0.677,35 1.727,36 3.942,37 1.397,38 1.844,39 2.277,40 0.042,41 0.626,42 1.946,43 0.348,56 0.005,57 0.241,58 4.192,59 2.058,60 5.152,61 2.664,62 0.032,63 0.394,64 8.084,65 3.386,66 18.769,67 4.625,68 0.175,69 0.448,70 11.892,71 3.759,72 46.833,73 5.241,74 0.343,75 0.32,76 10.479,77 2.663,78 83.889,79 3.803,80 0.135,81 0.155,82 5.586,83 1.385,84 28.81,85 2.259,86 0.023,87 0.035,88 1.319,89 0.334,90 4.344,91 0.61,104 10,105 12,106 0.31,107 0.497,108 0.718,109 0.718,110 0.718,111 0.718,112 2.359,113 1.09,114 -1.65,115 -1.71,116 -1.74,121 36.8,122 1,123 3,124 1,158 2,176 3,180 4,187 3,192 4,200 3,205 1,206 2,214 1,281 38,282 5.69,283 5.69,284 5.69,285 5.69,286 5.69,287 5.43,288 7.169,289 3.314,290 5.629,291 4.375,292 4.375,293 4.375,294 4.375,295 4.375,296 3.826,297 6.452,298 1.529,299 4.245,300 2.888,301 2.064,302 1.092,303 1.092,304 1.092,305 1.092,306 2.911,312 1,313 63,314 1.225,318 26,325 0.444,326 15.135,329 1,330 0.67,331 0.83,332 1,333 1,334 1,335 1,336 0.93,337 20,338 33,339 4.115,340 3.973,341 6.263,342 3.945,343 2.912,344 3.323,345 2.414,346 9.036,347 3,348 3.303,349 3.395,350 4.841,351 2.949,352 1.879,353 2.414,354 2.006,355 5.104,356 2,357 2.414,358 1.668,359 3.854,360 2.414,361 1.414,362 1.414,364 3.178,365 1.414,366 1.746,367 1.505,368 2.428,369 1.367,370 0.286,371 0.358,373 0.595,374 0.306,375 1,376 0.744,377 2.352,378 0.721,379 -0.347,380 -0.414,382 -0.757,383 -0.368,384 0.139,385 -0.338,386 1.353,387 -0.111,388 -1.199,389 -1.414,390 -0.327,391 -2.809,392 -1.306,393 -0.303,394 -0.734,395 1.299,396 -0.414,397 -1.414,398 -1.681,399 -0.964,400 -3.788,401 -1.414,402 -0.414,403 -1.048,404 1.156,405 -0.47,406 -1.532,407 -2,408 -1.407,409 -4,410 -1.632,411 -1,412 -1.645,413 0.454,414 -1,415 -2,416 -2,417 -1.721,418 -6.559,419 -2,474 4.167,475 0.463,476 0.285,477 0.032,478 8,479 0.889,480 3,481 0.333,482 5,483 0.556,484 6.467,485 0.719,486 10.833,487 0.57,488 4.026,489 0.447,490 1.328,491 0.148,492 2.887,493 0.321,494 0.28,496 0.36,501 0.474,502 1.286,503 0.848,504 1.281,505 0.483,506 1.164,507 0.494,508 1.244,509 0.807,510 1.235,511 0.537,512 1.11,513 1.212,514 1.104,515 1.044,516 1.086,517 1.2,518 1.036,519 1.637,520 0.991,521 1.442,522 1.01,523 1.621,524 1.16,525 0.965,526 0.441,527 0.848,528 0.463,529 0.941,530 0.607,549 2,551 1.556,552 0.688,553 0.333,559 283,560 909,561 1.817,562 52.6,563 5,568 5,572 1.357,573 1.636,574 2.064,575 -0.742,582 25.84,583 1.36,584 2.184,585 3.156,586 3.156,587 3.156,588 3.156,589 0.918,590 2.503,591 3.152,592 1.903,593 68.515,594 5.037,595 413.016,600 80.711,601 1.585,602 3.044,603 0.222,605 0.13,606 0.063,607 0.083,613 0.498,614 1,615 1,616 0.881,617 26.007,622 0.007,624 0.048,625 -0.134,626 0.059,627 -0.118,628 0.004,629 -0.04,630 -0.129,631 -0.157,632 -0.072,633 -0.146,634 -0.11,635 -0.104,636 -0.125,637 -0.156,638 -0.4,639 -0.197,640 -0.097,641 -0.337,642 -0.084,643 0.239,644 0.097,645 0.242,646 -0.091,647 0.214,648 0.295,649 0.579,650 0.868,651 0.646,652 0.226,653 0.85,666 1.64,667 3.784,668 0.667,669 2.469,670 1.004,671 1.131,672 0.415,673 0.172,674 0.617,675 2.303,676 2.565,677 2.708,678 2.639,679 2.565,680 2.079,681 1.099,685 2.472,686 0.582,687 126.17,688 2.303,689 3.761,690 4.554,691 5.371,692 6.18,693 7,694 7.812,695 8.634,696 9.446,697 10.267,741 19,743 2,745 9,747 19,748 7,756 1,757 1,763 1,767 3,768 1,770 3,772 2,773 5,774 1,777 2,782 2,786 2,793 10,794 2,796 2,808 1,809 2,829 1,841 2,859 1,864 1,868 9,876 3,880 1,893 10.5,896 2,901 5.5,902 3.667,903 2.056,904 1.333,907 0.34,908 1.078,909 0.868,910 1.654,911 4.71,912 2.485,913 2.833,914 3.045,915 3.045,916 2.833,917 2.708,918 1.609,922 0.333,923 11,924 3.36,925 -0.035,926 1.408,927 -0.046,929 8.296,931 6.328,932 -0.014,933 5.138,934 -0.024,935 0.002,936 2.796,937 25.167,938 0.028,941 117.711,942 26.696,945 50.29,948 26.696,949 168.001,951 8.825,952 7.604,954 60.557,957 117.711,959 117.711,960 26.696,961 50.29,964 117.711,965 50.29,968 16.429,969 10.267,972 117.711,973 50.29,974 26.696,977 117.711,978 17.871,979 8.825,981 50.29,982 117.711,983 50.29,984 26.696,986 0.586,987 0.345,988 0.137,989 0.054,990 6,991 3,995 1,996 1.96,997 41.594,999 6,1000 22.529,1005 6.47,1006 2.301,1007 1.181,1009 50.29,1018 194.697,1019 11,1024 21.567,1028 0.234,1031 19.073,1032 21.495,1034 0.32,1035 0.514,1036 0.743,1037 0.743,1038 0.743,1039 0.743,1040 3.689,1041 -1.532,1042 4.554,1043 -3.788,1044 3.219,1045 3.497,1046 2.823,1047 5.303,1048 3.281,1049 4.836,1050 -2,1051 6.111,1052 -4,1053 2.944,1054 3.434,1055 2.661,1056 6.176,1057 3.063,1058 6.114,1060 7.776,1061 -6.559,1062 4.762,1063 5.323,1064 4.17,1065 9.193,1066 4.883,1067 7.422,1069 9.497,1071 5.252,1072 6.019,1073 4.543,1074 10.818,1075 5.432,1076 8.761,1078 11.25,1080 6.621,1081 7.446,1082 5.699,1083 13.385,1084 6.8,1085 10.118,1087 13.026,1089 7.444,1090 8.447,1091 6.315,1092 15.311,1093 7.674,1094 11.489,1096 14.817,1098 8.64,1099 9.72,1100 7.319,1101 17.696,1102 8.877,1103 2.912,1105 16.618,1107 9.602,1108 10.842,1109 8.057,1110 19.759,1111 9.883,1112 1.879,1113 9.036,1114 18.428,1116 10.728,1117 12.063,1118 8.992,1119 22.056,1120 11.024,1121 1.414,1122 5.104,1123 20.244,1124 3.323,1125 11.749,1126 13.232,1127 9.793,1128 24.186,1129 12.083,1130 0.286,1131 3.178,1132 22.064,1133 2.414,1134 12.844,1135 14.438,1136 10.695,1137 26.437,1138 13.2,1139 -0.347,1140 0.595,1141 23.888,1142 1.414,1143 13.891,1144 15.626,1145 11.531,1146 28.601,1147 14.282,1148 -1.199,1149 -0.757,1150 25.714,1151 0.358,1152 14.972,1153 16.827,1154 12.419,1155 30.829,1156 15.388,1157 -1.414,1158 -2.809,1159 27.542,1160 -0.414,1161 16.032,1162 18.022,1163 13.274,1164 33.011,1165 16.479,1166 354,1167 656,1168 5.375,1169 11.716,1170 13.378,1171 14.399,1172 13.915,1173 12.994,1174 12.985,1175 15.02,1176 8.839,1177 35.827,1178 13.441,1179 5.115,1180 5.617,1181 5.809,1182 4.945,1183 4.912,1184 5.323,1185 4.135,1186 15.595,1187 5,1188 4.699,1189 1.486,1190 1.6,1191 1.546,1192 1.444,1193 1.443,1194 1.669,1195 0.982,1196 3.981,1197 1.493,1198 3.896,1199 3.925,1200 3.807,1201 3.765,1202 7.441,1203 3.768,1204 3.293,1205 3.381,1206 3.084,1207 3.131,1208 7.411,1209 3.105,1210 3.166,1211 3.187,1212 3.072,1213 2.933,1214 4.076,1215 2.958,1216 2.755,1217 2.823,1218 2.525,1219 2.455,1220 3.786,1221 2.456,1222 2.203,1223 2.252,1224 1.942,1225 1.756,1226 3.123,1227 1.802,1228 1.95,1229 2.137,1230 1.421,1231 1.587,1232 2.704,1233 1.517,1234 1.743,1235 1.842,1236 1.395,1237 1.234,1238 2.152,1239 1.263,1240 0.941,1241 1.207,1242 0.083,1243 0.38,1244 1.193,1245 0.262,1246 0.457,1247 0.441,1248 0.696,1249 0.438,1250 0.324,1251 4.115,1252 0.369,1253 3.973,1254 0.268,1255 6.263,1256 1.004,1257 3.945,1258 0.333,1259 2.912,1260 3.323,1261 2.414,1262 9.036,1263 3,1264 1.854,1265 1.822,1266 2.035,1267 2.011,1268 1.332,1269 2.018,1270 1.329,1271 1.246,1272 1.672,1273 1.542,1274 0.886,1275 1.591,1276 1.081,1277 1.045,1278 1.352,1279 1.342,1280 0.564,1281 1.335,1282 0.699,1283 0.623,1284 1.055,1285 1.031,1286 0.167,1287 1.037,1288 0.032,1290 0.672,1291 0.516,1293 0.533,1294 0.024,1296 0.263,1297 0.445,1299 0.451,1302 0.108,1303 0.157,1305 0.153,1312 2.944,1314 4.205,1316 5.687,1318 7.263,1320 8.876,1322 1.698,1328 1.974,1332 -0.307,1340 11.064,1341 25.84,1342 41.491,1343 59.956,1344 59.956,1345 59.956,1346 59.956,1347 17.905,1348 4.369,1349 34.14,1350 34.14,1351 6,1352 10.849,1353 1.585,1354 1.585,1355 14.065,1356 14,1357 8,1358 0.622,1359 72.661,1360 129.6,1361 169.053,1362 243,1364 6.853,1365 0.761,1366 0.613,1367 6.853,1368 5.515,1369 4.215,1370 0.468,1371 0.363,1372 3.242,1373 4.08,1374 3.133,1375 2.593,1376 4.215,1377 3.27,1378 3.745,1379 0.312,1380 0.209,1381 3.745,1382 2.508,1383 3.114,1384 0.222,1385 0.129,1386 3.114,1387 1.812,1388 1.848,1389 0.142,1390 0.081,1391 1.848,1392 1.049,1393 1.072,1394 0.089,1395 0.053,1396 1.072,1397 0.641,1398 0.838,1399 26.446,1400 0.431,1401 8.582,1402 2.09,1403 42,1404 149.471,1405 46.207,1406 138.099,1407 170.12,1408 126,1409 47,1410 106.273,1411 50.987,1412 105.203,1413 149.13,1414 99,1415 4}
{0 CHEMBL1916927,1 1.556,2 8.524,3 4.29,4 18.407,5 84.272,6 8.3,7 0.667,8 3.709,9 3.812,10 3.381,11 3.348,12 4.786,13 3.318,14 4.244,15 4.383,16 3.799,17 3.776,18 5.284,19 3.723,20 4.505,21 4.699,22 3.841,23 3.868,24 5.503,25 3.789,26 4.485,27 4.689,28 3.677,29 3.757,30 5.527,31 3.672,32 4.393,33 4.619,34 3.451,35 3.604,36 5.321,37 3.507,38 4.197,39 4.415,40 3.398,41 3.455,42 5.18,43 3.353,44 3.969,45 4.186,46 3.182,47 3.306,48 4.933,49 3.178,50 3.807,51 4.021,52 3.036,53 3.183,54 4.734,55 3.036,56 0.021,57 0.488,58 6.268,59 3.16,60 5.595,61 3.963,62 0.074,63 0.808,64 12.413,65 5.877,66 10.175,67 7.589,68 0.125,69 1.038,70 20.851,71 7.851,72 19.949,73 10.167,74 0.263,75 1.038,76 20.457,77 7.201,78 32.331,79 9.163,80 0.245,81 0.924,82 18.363,83 6.673,84 26.663,85 8.362,86 0.247,87 0.744,88 15.994,89 5.701,90 24.559,91 7.23,92 0.123,93 0.595,94 13.077,95 4.633,96 15.835,97 6.024,98 0.084,99 0.503,100 10.162,101 4.057,102 12.635,103 5.553,104 5,105 35,106 0.28,107 0.665,108 0.753,109 0.821,110 0.841,111 0.841,112 3.105,113 0.946,114 -5.04,115 -4.94,116 -4.63,121 47.2,123 4,144 5,145 3,146 2,148 1,154 1,163 1,165 1,166 1,167 1,176 9,179 1,180 6,185 2,187 12,189 2,192 5,197 2,200 11,203 2,206 6,208 2,209 2,211 2,214 8,216 2,219 4,224 2,227 6,229 2,232 4,237 2,239 6,241 2,249 2,251 9,253 2,256 1,264 8,274 1,277 5,279 1,281 432,282 14.378,283 14.378,284 14.378,285 14.378,286 14.378,287 12.482,288 8.64,289 8.326,290 14.579,291 11.854,292 11.854,293 11.854,294 11.854,295 11.854,296 8.927,297 4.027,298 3.982,299 12.255,300 3.614,301 1.478,302 0.989,303 0.611,304 0.5,305 0.5,306 3.805,308 1,311 1,312 1,313 401,314 2,317 31.671,318 137.352,321 57.368,322 70.155,325 1.356,326 16.447,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 44.333,338 179,339 4.68,340 3.358,341 6.798,342 4.237,343 3.253,344 4.632,346 11.172,347 3.201,348 4.206,349 2.989,350 6.224,351 3.841,352 2.849,353 3.811,355 9.317,356 2.825,357 3.887,358 2.821,359 5.869,360 3.457,361 2.487,362 3.429,364 8.003,365 2.419,366 3.551,367 2.449,368 5.28,369 3.125,370 2.202,371 2.904,373 6.349,374 2.009,375 3.434,376 2.213,377 5.027,378 2.996,379 2.048,380 2.796,382 6.009,383 1.883,384 2.762,385 1.54,386 4.259,387 2.448,388 1.461,389 1.872,391 3.755,392 1.435,393 2.5,394 1.378,395 4.111,396 2.221,397 1.246,398 1.5,400 3.214,401 1.186,402 2.482,403 1.319,404 3.684,405 2.141,406 1.15,407 1.48,409 3.02,410 1.137,411 2.405,412 1,413 3.419,414 2,415 1,416 1.381,418 2.275,419 1,420 1.831,421 0.733,422 3.414,423 1.57,424 0.593,425 0.719,427 1.541,428 0.577,429 1.262,430 0.346,431 2.86,432 0.892,433 -0.048,434 -0.06,436 -0.122,437 -0.043,438 1.082,439 0.011,440 2.532,441 0.628,442 -0.235,443 -0.293,445 -0.536,446 -0.171,447 0.629,448 -0.538,449 2.399,450 0.299,451 -0.682,452 -0.799,454 -1.808,455 -0.665,456 0.5,457 -0.737,458 2,459 0.076,460 -0.907,461 -1.041,463 -2.26,464 -0.873,465 0.223,466 -0.847,467 2,469 -1,470 -1.341,472 -2.948,473 -0.894,474 10.348,475 0.493,476 0.538,477 0.026,478 28,479 1.333,480 14.5,481 0.69,482 13.5,483 0.643,484 16.115,485 0.767,486 21.452,487 0.596,488 17.183,489 0.818,490 5.121,491 0.244,492 5.099,493 0.243,494 0.108,496 0.387,501 0.804,502 0.99,503 0.594,504 0.812,505 0.892,506 0.782,507 0.656,508 1.097,509 0.62,510 0.94,511 0.521,512 0.896,513 0.965,514 1.161,515 0.869,516 1.013,517 0.83,518 0.953,519 1.209,520 1.052,521 0.972,522 1.035,523 1.201,524 1.05,525 1.475,526 0.914,527 0.784,528 0.828,529 1.269,530 0.923,531 1.111,532 0.958,533 0.791,534 0.897,535 0.941,536 0.941,537 1.061,538 0.978,539 1.06,540 0.944,541 1.183,542 1.016,543 0.395,544 1.075,545 0.874,546 1.127,547 0.802,548 1.176,549 4,550 0.038,551 2.667,552 1.507,553 1.45,554 0.699,555 0.364,556 0.247,557 0.092,558 0.085,559 4445,560 11607,561 2.185,562 41.7,563 6,564 5,567 2,568 2,572 1.632,573 2.066,574 3.091,575 0.284,577 1,582 56.027,583 1.556,584 3.692,585 4.181,586 4.559,587 4.67,588 4.67,589 2.553,590 4.107,591 4.363,592 3.185,593 668.906,594 7.476,595 6795.96,597 1,599 1,600 186.117,601 1.342,602 4.334,603 0.167,604 0.009,605 0.076,606 0.043,607 0.05,608 0.03,609 0.018,610 0.015,611 0.007,612 0.009,613 0.426,614 0.83,615 1,616 0.532,617 93.263,618 -0.064,619 0.08,620 0.017,621 0.063,622 -0.107,623 0.07,624 0.13,625 -0.092,626 0.077,627 -0.025,628 0.166,629 0.011,630 -0.031,631 -0.168,632 0.009,633 -0.068,634 0.062,635 -0.005,636 -0.05,637 -0.007,638 -0.138,639 -0.125,640 -0.072,641 -0.139,642 -0.232,643 0.097,644 -0.049,645 0.091,646 -0.227,647 0.012,648 0.027,649 0.024,650 0.05,651 0.05,652 0.057,653 0.016,654 -0.158,655 0.013,656 -0.074,657 0.026,658 -0.153,659 -0.043,660 0.13,661 -0.112,663 -0.156,664 -0.001,665 -0.178,666 1.03,667 2.407,668 0.905,669 14.844,670 1.001,671 1.113,672 3.808,673 14.503,674 0.713,675 3.219,676 3.584,677 3.912,678 4.22,679 4.5,680 4.635,681 4.779,682 4.963,683 5.069,684 5.037,685 4.988,686 0.674,687 298.79,688 3.219,689 4.779,690 5.659,691 6.561,692 7.46,693 8.368,694 9.275,695 10.188,696 11.098,697 12.014,698 5.6,702 1,708 1,714 2,715 5,716 1,718 1,720 6,722 16,733 1,740 1,741 36,743 16,744 1,745 24,747 39,748 17,749 13,750 2,751 4,756 4,757 7,758 1,767 4,770 4,772 13,773 4,790 1,792 1,793 15,794 3,795 2,796 4,797 1,802 2,808 0.5,809 1,822 1,828 1,829 3,832 1,833 1,859 2,865 1,868 21,869 1,876 4,892 1,893 2.8,898 1,901 10.167,902 6.51,903 4.472,904 2.337,907 3.14,908 1.426,909 1.06,910 3.071,911 10.503,912 3.497,913 4.186,914 4.859,915 5.518,916 6.122,917 6.567,918 7.029,919 7.523,920 7.866,921 8.14,922 0.833,923 35,924 7.755,926 3.399,927 0.026,929 7.593,931 15.103,933 13.043,936 2.093,937 43.944,938 0.001,941 153.024,942 85.334,943 49.683,944 39.149,945 9.507,948 85.334,949 201.68,950 49.683,952 10.138,953 80.278,954 21.193,955 27.466,956 5.449,957 153.024,958 39.149,959 153.024,960 135.017,961 9.507,962 39.149,964 153.024,965 9.507,968 17.302,969 100.929,970 55.934,972 153.024,973 59.19,974 124.482,977 153.024,978 37.953,979 47.381,981 98.339,982 153.024,983 59.19,984 124.482,986 0.592,987 0.354,988 0.194,989 0.11,990 20,991 8,992 0.026,993 1,994 2,995 1.211,996 3.361,997 173.76,998 0.211,999 19,1000 88.239,1005 13.02,1006 4.953,1007 2.18,1008 1.554,1009 59.19,1010 9.569,1011 4.668,1013 5.907,1015 5.611,1017 32.897,1018 336.697,1019 32,1031 36.04,1032 40.056,1034 0.301,1035 0.714,1036 0.809,1037 0.882,1038 0.903,1039 0.903,1040 4.745,1041 1.15,1042 5.659,1043 3.214,1044 4.263,1045 4.871,1047 6.512,1048 4.205,1049 5.981,1050 1,1051 7.242,1052 3.02,1053 3.892,1054 4.808,1056 7.462,1057 3.775,1058 7.317,1059 0.593,1060 8.924,1061 2.275,1062 5.894,1063 7.189,1065 10.599,1066 5.801,1067 8.691,1068 -0.048,1069 10.664,1070 1.541,1071 6.347,1072 7.963,1074 12.374,1075 6.219,1076 10.098,1077 -0.235,1078 12.442,1079 -0.122,1080 7.824,1081 9.819,1083 15.03,1084 7.708,1085 11.528,1086 -0.682,1087 14.245,1088 -0.536,1089 8.655,1090 10.981,1092 17.149,1093 8.518,1094 12.977,1095 -0.907,1096 16.067,1097 -1.808,1098 9.929,1099 12.632,1101 19.64,1102 9.791,1103 3.253,1104 -1,1105 17.903,1106 -2.26,1107 10.937,1108 13.982,1110 21.911,1111 10.784,1112 2.849,1113 11.172,1114 19.75,1115 -2.948,1116 12.133,1117 15.551,1119 24.343,1120 11.973,1121 2.487,1122 9.317,1123 21.606,1124 4.632,1125 13.224,1126 16.994,1128 26.684,1129 13.049,1130 2.202,1131 8.003,1132 23.47,1133 3.811,1134 14.394,1135 18.532,1137 29.096,1138 14.208,1139 2.048,1140 6.349,1141 25.34,1142 3.429,1143 15.525,1144 20.019,1146 31.47,1147 15.323,1148 1.461,1149 6.009,1150 27.215,1151 2.904,1152 16.688,1153 21.548,1155 33.877,1156 16.473,1157 1.246,1158 3.755,1159 29.094,1160 2.796,1161 17.838,1162 23.057,1164 36.268,1165 17.607,1166 4170,1167 6867,1168 16.414,1169 25.654,1170 36.807,1171 37.249,1172 37.837,1173 36.821,1174 36.581,1175 49.051,1177 109.306,1178 35.347,1179 5.624,1180 5.358,1181 6.479,1182 5.281,1183 5.253,1184 7.632,1186 18.723,1187 5.201,1188 7.867,1189 1.534,1190 1.552,1191 1.577,1192 1.534,1193 1.524,1194 2.044,1196 4.554,1197 1.473,1198 4.14,1199 4.155,1200 4.126,1201 4.036,1202 5.247,1203 4.05,1204 3.878,1205 3.905,1206 3.953,1207 3.824,1208 4.969,1209 3.816,1210 3.678,1211 3.714,1212 3.624,1213 3.565,1214 4.886,1215 3.561,1216 3.222,1217 3.287,1218 3.301,1219 3.064,1220 4.432,1221 3.064,1222 3.105,1223 3.178,1224 3.048,1225 2.938,1226 4.222,1227 2.929,1228 2.856,1229 2.973,1230 2.924,1231 2.735,1232 3.878,1233 2.715,1234 2.854,1235 2.925,1236 2.687,1237 2.71,1238 3.674,1239 2.691,1240 2.777,1241 2.806,1242 2.639,1243 2.534,1244 3.642,1245 2.559,1246 0.195,1247 0.14,1248 0.283,1249 0.177,1250 0.136,1251 4.68,1252 0.193,1253 3.358,1255 6.798,1256 0.465,1257 4.237,1258 0.133,1259 3.253,1260 4.632,1262 11.172,1263 3.201,1264 1.976,1265 1.947,1266 2.096,1267 2.089,1268 1.414,1269 2.09,1270 1.898,1271 1.88,1272 1.984,1273 1.971,1274 1.1,1275 1.981,1276 1.573,1277 1.528,1278 1.736,1279 1.722,1280 0.93,1281 1.734,1282 1.282,1283 1.275,1284 1.456,1285 1.507,1286 0.741,1287 1.469,1288 1.116,1289 1.036,1290 1.363,1291 1.332,1292 0.483,1293 1.366,1294 0.886,1295 0.821,1296 1.181,1297 1.192,1298 0.25,1299 1.197,1300 0.859,1301 0.814,1302 1.136,1303 1.062,1304 0.218,1305 1.107,1306 0.763,1307 0.667,1308 1.076,1309 1.019,1311 1.045,1312 3.892,1314 5.242,1315 2.398,1316 6.797,1317 4.727,1318 8.445,1319 6.862,1320 10.143,1323 5.926,1326 6.334,1328 4.375,1340 24.273,1341 56.027,1342 132.898,1343 150.508,1344 164.117,1345 168.117,1346 168.117,1347 26.002,1348 7.363,1349 52.05,1350 52.05,1351 23,1352 12.526,1353 4.087,1354 3.17,1355 28.018,1356 66,1357 65,1358 0.227,1359 149.693,1360 248.04,1361 357.01,1362 14490,1363 2.8,1364 14.397,1365 0.686,1366 0.585,1367 14.897,1368 12.282,1369 10.22,1370 0.426,1371 0.315,1372 7.166,1373 9.704,1374 6.996,1375 5.742,1376 10.509,1377 7.567,1378 9.479,1379 0.271,1380 0.169,1381 9.887,1382 5.931,1383 8.437,1384 0.172,1385 0.089,1386 8.726,1387 4.384,1388 7.187,1389 0.107,1390 0.047,1391 7.353,1392 3.128,1393 6.042,1394 0.068,1395 0.026,1396 6.256,1397 2.308,1398 0.345,1399 66.011,1400 0.247,1401 20.476,1402 0.654,1403 118,1404 302.896,1405 140.918,1406 328.494,1407 454.9,1408 308,1409 143,1410 329.797,1411 160.907,1412 343.611,1413 510.66,1414 326,1415 4}
{0 CHEMBL1916929,1 1.612,2 8.435,3 4.169,4 17.382,5 90.01,6 8.751,7 0.615,8 3.739,9 3.836,10 3.45,11 3.391,12 4.912,13 3.371,14 4.262,15 4.394,16 3.864,17 3.818,18 5.344,19 3.775,20 4.533,21 4.714,22 3.968,23 3.937,24 5.613,25 3.881,26 4.544,27 4.727,28 3.902,29 3.863,30 5.761,31 3.817,32 4.472,33 4.671,34 3.731,35 3.757,36 5.685,37 3.701,38 4.329,39 4.527,40 3.638,41 3.635,42 5.539,43 3.567,44 4.113,45 4.31,46 3.463,47 3.479,48 5.321,49 3.381,50 3.953,51 4.163,52 3.257,53 3.294,54 5.161,55 3.161,56 0.037,57 0.507,58 5.468,59 3.021,60 10.907,61 3.588,62 0.1,63 0.829,64 11.213,65 5.693,66 13.665,67 7.121,68 0.155,69 1.084,70 19.868,71 7.801,72 26.371,73 9.819,74 0.336,75 1.129,76 19.727,77 7.252,78 46.163,79 8.778,80 0.324,81 1.063,82 17.352,83 6.69,84 50.721,85 7.843,86 0.305,87 0.906,88 15.922,89 5.846,90 44.155,91 6.92,92 0.162,93 0.733,94 12.301,95 4.7,96 35.114,97 5.712,98 0.172,99 0.602,100 11.426,101 4.195,102 38.896,103 5.455,104 11,105 38,106 0.286,107 0.703,108 0.77,109 0.818,110 0.837,111 0.837,112 3.19,113 0.919,114 -4.65,115 -4.57,116 -4.3,121 48.6,123 4,144 4,145 4,146 2,148 1,154 1,160 1,163 1,165 1,166 1,167 1,176 9,179 1,180 7,185 2,187 12,189 2,192 6,197 2,200 11,203 2,205 1,206 7,208 2,209 2,211 2,214 8,216 2,218 1,219 7,221 1,222 1,224 2,227 6,229 2,232 7,237 2,239 6,241 2,244 2,249 2,251 9,253 2,256 3,264 8,274 1,277 5,279 1,281 585,282 15.801,283 15.801,284 15.801,285 15.801,286 15.801,287 13.793,288 11.965,289 9.098,290 16.012,291 12.765,292 12.765,293 12.765,294 12.765,295 12.765,296 9.561,297 7.846,298 4.219,299 13.184,300 3.598,301 1.243,302 0.865,303 0.595,304 0.486,305 0.486,306 3.888,308 1,311 1,312 1,313 429,314 2.345,317 35.571,318 150.759,321 64.149,322 78.573,325 1.323,326 23.69,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 48.833,338 194,339 4.797,340 4.091,341 7.06,342 4.354,343 3.366,344 4.771,345 2.035,346 12.148,347 3.328,348 4.266,349 3.383,350 6.455,351 3.903,352 2.913,353 3.865,355 9.967,356 2.882,357 3.943,358 3.03,359 5.945,360 3.503,361 2.534,362 3.493,364 8.202,365 2.462,366 3.574,367 2.882,368 5.312,369 3.126,370 2.202,371 2.917,373 6.461,374 2.01,375 3.549,376 2.454,377 5.16,378 3.03,379 2.075,380 2.899,382 6.17,383 1.951,384 3.364,385 2.215,386 4.902,387 2.724,388 1.756,389 2.358,391 5.176,392 1.661,393 2.814,394 1.85,395 4.286,396 2.396,397 1.405,398 1.658,400 3.555,401 1.391,402 2.5,403 1.516,404 3.759,405 2.196,406 1.211,407 1.5,409 3.031,410 1.178,411 2.497,412 1.345,413 3.605,414 2,415 1,416 1.48,418 2.275,419 1,420 2.48,421 1.037,422 3.414,423 1.857,424 0.887,425 1.129,427 2.173,428 0.851,429 1.922,430 1,431 3.083,432 1.31,433 0.365,434 0.598,436 0.616,437 0.344,438 1.262,439 0.358,440 2.84,441 0.892,442 -0.048,443 -0.06,445 -0.123,446 -0.043,447 1.124,448 0.164,449 2.459,450 0.645,451 -0.222,452 -0.285,454 -0.484,455 -0.164,456 0.78,457 -0.126,458 2.37,459 0.359,460 -0.613,461 -0.776,463 -1.501,464 -0.59,465 0.5,466 -0.556,467 2.136,468 0.104,469 -0.865,470 -1.012,472 -2.034,473 -0.773,474 11.248,475 0.489,476 0.572,477 0.025,478 32.25,479 1.402,480 17.5,481 0.761,482 14.75,483 0.641,484 17.718,485 0.77,486 22.952,487 0.62,488 21.448,489 0.933,490 5.867,491 0.255,492 5.318,493 0.231,494 0.135,496 0.4,501 0.784,502 0.957,503 0.572,504 0.789,505 0.63,506 0.749,507 0.636,508 1.026,509 0.6,510 0.913,511 0.422,512 0.863,513 0.904,514 1.114,515 0.822,516 0.993,517 0.637,518 0.902,519 1.141,520 1.078,521 0.891,522 0.993,523 0.896,524 0.967,525 1.384,526 0.934,527 0.766,528 0.834,529 1.045,530 0.916,531 1.191,532 1.029,533 0.836,534 0.915,535 1.541,536 0.974,537 1.143,538 1.103,539 1.036,540 0.964,541 1.766,542 1.08,543 0.609,544 1.067,545 1.059,546 1.19,547 1.482,548 1.262,549 4,550 0.038,551 2.889,552 2.229,553 1.935,554 0.928,555 0.542,556 0.349,557 0.113,558 0.085,559 5231,560 15105,561 2.141,562 37.8,563 6,564 4,567 2,568 2,572 1.663,573 2,574 3.066,575 0.278,577 1,582 59.633,583 1.612,584 3.966,585 4.345,586 4.615,587 4.723,588 4.723,589 2.546,590 4.056,591 4.493,592 3.167,593 801.231,594 7.767,595 8613.93,597 1,598 1,599 1,600 192.75,601 1.422,602 4.454,603 0.154,604 0.009,605 0.076,606 0.054,607 0.051,608 0.029,609 0.02,610 0.017,611 0.008,612 0.009,613 0.427,614 0.33,615 1,616 0.777,617 104.605,618 -0.074,619 0.075,620 0.01,621 0.063,622 -0.006,623 0.068,624 0.119,625 -0.06,626 0.087,627 -0.001,628 0.09,629 0.034,630 -0.007,631 -0.148,632 0.057,633 -0.038,634 0.05,635 0.056,636 0.031,637 -0.047,638 -0.068,639 -0.08,640 0.078,641 -0.062,642 -0.173,643 0.104,644 -0.055,645 0.073,646 0.019,647 -0.004,648 -0.079,649 -0.002,650 -0.031,651 0.009,652 -0.176,653 -0.046,654 -0.219,655 -0.065,656 -0.104,657 -0.032,658 -0.323,659 -0.149,660 0.108,661 -0.07,662 -0.059,663 -0.223,664 -0.092,665 -0.277,666 1.222,667 3.63,668 0.826,669 16.752,670 1.007,671 1.112,672 3.423,673 11.719,674 0.727,675 3.296,676 3.664,677 4.025,678 4.369,679 4.654,680 4.796,681 4.977,682 5.159,683 5.236,684 5.193,685 4.985,686 0.696,687 323.8,688 3.296,689 4.86,690 5.753,691 6.668,692 7.582,693 8.507,694 9.43,695 10.359,696 11.287,697 12.219,698 8.1,702 1,707 1,708 1,714 2,715 4,716 1,718 1,720 7,722 16,724 1,733 1,740 1,741 37,743 17,744 1,745 26,747 40,748 18,749 13,750 2,751 4,756 4,757 7,758 1,767 4,770 4,771 1,772 13,773 4,790 1,792 1,793 14,794 4,795 2,796 5,797 1,802 3,808 0.5,809 1,822 1,828 1,829 3,832 1,833 1,859 2,865 1,868 23,869 1,876 4,885 1,889 1,891 1,892 1,893 2.7,898 1,901 11.5,902 6.876,903 5.028,904 2.408,907 3.272,908 1.435,909 1.045,910 3.428,911 10.791,912 3.611,913 4.273,914 4.984,915 5.684,916 6.313,917 6.776,918 7.264,919 7.774,920 8.096,921 8.342,922 0.833,923 41,924 8.481,926 3.741,927 0.026,929 7.766,931 16.212,933 13.896,936 2.266,937 52.111,941 141.253,942 95.645,943 80.742,944 39.149,945 9.507,948 95.645,949 189.909,950 80.742,952 10.138,953 70.802,954 37.795,955 61.71,956 5.449,957 141.253,958 39.149,959 141.253,960 176.387,961 9.507,962 39.149,964 141.253,965 9.507,968 48.362,969 111.24,970 55.934,972 141.253,973 90.249,974 134.794,977 141.253,978 41.138,979 37.905,980 16.602,981 129.398,982 141.253,983 90.249,984 134.794,986 0.587,987 0.364,988 0.211,989 0.121,990 21,991 9,992 0.025,993 1,994 2,995 1.211,996 3.428,997 200.699,998 0.211,999 19,1000 100.042,1005 14.413,1006 5.47,1007 2.255,1008 1.086,1009 90.249,1010 7.202,1011 4.625,1013 5.906,1015 5.093,1017 32.897,1018 366.296,1019 36,1031 37.258,1032 41.14,1034 0.309,1035 0.761,1036 0.834,1037 0.886,1038 0.907,1039 0.907,1040 4.875,1041 1.211,1042 5.759,1043 3.555,1044 4.344,1045 4.959,1046 2.228,1047 6.648,1048 4.288,1049 6.125,1050 1,1051 7.363,1052 3.031,1053 4.007,1054 4.913,1056 7.695,1057 3.904,1058 7.468,1059 0.887,1060 9.07,1061 2.275,1062 6.004,1063 7.295,1064 3.563,1065 10.863,1066 5.918,1067 8.851,1068 0.365,1069 10.838,1070 2.173,1071 6.509,1072 8.11,1074 12.757,1075 6.399,1076 10.267,1077 -0.048,1078 12.646,1079 0.616,1080 7.984,1081 9.964,1082 4.962,1083 15.46,1084 7.881,1085 11.709,1086 -0.222,1087 14.48,1088 -0.123,1089 8.872,1090 11.176,1092 17.699,1093 8.758,1094 13.171,1095 -0.613,1096 16.336,1097 -0.484,1098 10.155,1099 12.834,1100 6.378,1101 20.251,1102 10.041,1103 3.366,1104 -0.865,1105 18.207,1106 -1.501,1107 11.216,1108 14.233,1110 22.633,1111 11.093,1112 2.913,1113 12.148,1114 20.09,1115 -2.034,1116 12.434,1117 15.818,1118 7.797,1119 25.138,1120 12.306,1121 2.534,1122 9.967,1123 21.984,1124 4.771,1125 13.571,1126 17.303,1128 27.58,1129 13.434,1130 2.202,1131 8.202,1132 23.885,1133 3.865,1134 14.77,1135 18.865,1136 9.217,1137 30.071,1138 14.625,1139 2.075,1140 6.461,1141 25.794,1142 3.493,1143 15.942,1144 20.389,1146 32.539,1147 15.787,1148 1.756,1149 6.17,1150 27.708,1151 2.917,1152 17.138,1153 21.945,1154 10.638,1155 35.028,1156 16.974,1157 1.405,1158 5.176,1159 29.627,1160 2.899,1161 18.326,1162 23.488,1164 37.509,1165 18.152,1166 4984,1167 8605,1168 17.512,1169 26.898,1170 40.949,1171 42.874,1172 41.654,1173 39.647,1174 39.43,1175 53.337,1176 4.069,1177 119.543,1178 38.114,1179 5.741,1180 6.091,1181 6.741,1182 5.398,1183 5.366,1184 7.771,1185 4.069,1186 19.816,1187 5.328,1188 10.127,1189 1.575,1190 1.649,1191 1.602,1192 1.525,1193 1.517,1194 2.051,1195 0.157,1196 4.598,1197 1.466,1198 4.151,1199 4.164,1200 4.144,1201 4.051,1202 6.82,1203 4.068,1204 3.878,1205 3.906,1206 3.954,1207 3.824,1208 5.225,1209 3.816,1210 3.695,1211 3.73,1212 3.651,1213 3.592,1214 4.966,1215 3.589,1216 3.258,1217 3.322,1218 3.301,1219 3.11,1220 4.882,1221 3.115,1222 3.16,1223 3.233,1224 3.156,1225 2.955,1226 4.424,1227 2.962,1228 3,1229 3.059,1230 3.045,1231 2.828,1232 4.221,1233 2.838,1234 2.854,1235 2.939,1236 2.827,1237 2.735,1238 3.865,1239 2.715,1240 2.838,1241 2.925,1242 2.687,1243 2.645,1244 3.674,1245 2.652,1246 0.184,1247 0.157,1248 0.272,1249 0.167,1250 0.129,1251 4.797,1252 0.184,1253 4.091,1254 0.078,1255 7.06,1256 0.467,1257 4.354,1258 0.128,1259 3.366,1260 4.771,1261 2.035,1262 12.148,1263 3.328,1264 1.98,1265 1.953,1266 2.095,1267 2.09,1268 1.415,1269 2.09,1270 1.9,1271 1.882,1272 1.982,1273 1.973,1274 1.103,1275 1.982,1276 1.598,1277 1.559,1278 1.733,1279 1.732,1280 0.934,1281 1.741,1282 1.344,1283 1.331,1284 1.457,1285 1.552,1286 0.741,1287 1.505,1288 1.129,1289 1.049,1290 1.384,1291 1.366,1292 0.47,1293 1.387,1294 0.93,1295 0.893,1296 1.181,1297 1.229,1298 0.25,1299 1.224,1300 0.886,1301 0.821,1302 1.141,1303 1.065,1304 0.218,1305 1.107,1306 0.764,1307 0.698,1308 1.079,1309 1.062,1311 1.071,1312 3.97,1314 5.323,1315 2.398,1316 6.891,1317 4.844,1318 8.557,1319 7.066,1320 10.277,1323 5.935,1326 6.359,1328 4.041,1338 9.63,1339 2.233,1340 25.767,1341 59.633,1342 146.75,1343 160.75,1344 170.75,1345 174.75,1346 174.75,1347 35.664,1348 7.519,1349 75.84,1350 75.84,1351 23,1352 12.721,1353 4.17,1354 3.459,1355 31.663,1356 71,1357 75,1358 0.236,1359 160.224,1360 271.06,1361 382.708,1362 17024,1363 2.7,1364 15.974,1365 0.695,1366 0.572,1367 16.474,1368 13.152,1369 11.186,1370 0.43,1371 0.306,1372 7.555,1373 10.629,1374 7.379,1375 6.059,1376 11.475,1377 7.963,1378 10.132,1379 0.267,1380 0.163,1381 10.541,1382 6.199,1383 9.157,1384 0.166,1385 0.084,1386 9.446,1387 4.63,1388 8.116,1389 0.104,1390 0.043,1391 8.282,1392 3.361,1393 6.895,1394 0.066,1395 0.024,1396 7.109,1397 2.463,1398 0.354,1399 72.158,1400 0.239,1401 21.929,1402 0.702,1403 128,1404 354.541,1405 151.612,1406 382.151,1407 522.77,1408 356,1409 157,1410 375.206,1411 175.905,1412 391.238,1413 580.44,1414 370,1415 4}
{0 CHEMBL191729,1 1.421,2 11.63,3 3.755,4 14.103,5 112.969,6 7.181,7 0.533,8 4.053,9 4.163,10 3.651,11 3.651,12 5.044,13 3.587,14 4.618,15 4.795,16 4.034,17 4.078,18 5.499,19 3.991,20 4.841,21 5.018,22 4.094,23 4.273,24 5.703,25 4.133,26 5.035,27 5.282,28 4.031,29 4.292,30 5.784,31 4.108,32 4.965,33 5.21,34 3.929,35 4.198,36 5.727,37 4.025,38 4.842,39 5.081,40 3.784,41 4.154,42 5.592,43 3.951,44 4.806,45 5.072,46 3.561,47 4.006,48 5.497,49 3.778,50 4.535,51 4.792,52 3.495,53 3.714,54 5.282,55 3.562,56 0.043,57 0.704,58 12.368,59 5.506,60 9.869,61 7.056,62 0.24,63 1.223,64 24.484,65 9.249,66 18.776,67 11.705,68 0.267,69 1.51,70 30.995,71 12.872,72 23.02,73 16.46,74 0.254,75 1.779,76 41.478,77 16.032,78 29.475,79 20.626,80 0.323,81 1.641,82 39.154,83 14.423,84 31.177,85 18.578,86 0.156,87 1.488,88 32.542,89 13.372,90 22.993,91 17.524,92 0.169,93 1.415,94 35.546,95 13.568,96 23.313,97 17.184,98 0.216,99 1.028,100 23.258,101 8.779,102 18.64,103 11.465,104 14,105 43,106 0.236,107 0.544,108 0.735,109 0.816,110 0.831,111 0.837,112 3.34,113 1.031,114 -1.31,115 -1.4,116 -1.46,121 43.4,123 1,126 3,127 3,137 1,138 1,144 8,145 2,146 2,154 2,176 10,180 2,187 14,189 3,191 1,192 3,200 11,203 3,206 3,214 6,216 2,219 2,227 9,229 3,232 2,239 6,241 1,244 4,251 6,253 2,264 6,271 2,277 8,281 1077,282 18.48,283 18.48,284 18.48,285 18.48,286 18.48,287 16.398,288 19.137,289 10.709,290 19.127,291 14.697,292 14.697,293 14.697,294 14.697,295 14.697,296 11.461,297 22.854,298 4.94,299 15.6,300 4.307,301 2.453,302 1.302,303 0.812,304 0.722,305 0.684,306 4.037,311 1,312 1,313 684,314 3.082,317 60.503,318 259.289,321 115.407,325 1.94,326 11.939,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 56.5,338 314,339 4.574,340 3.705,341 6.999,342 4.23,343 3.311,344 4.505,345 1.31,346 11.92,347 3.05,348 4.347,349 3.27,350 6.449,351 4.057,352 3.115,353 3.637,354 0.86,355 10.155,356 2.926,357 4.086,358 2.988,359 6.116,360 3.695,361 2.751,362 3.519,363 0.86,364 8.966,365 2.6,366 3.819,367 2.616,368 5.766,369 3.411,370 2.425,371 3.244,372 0.359,373 7.718,374 2.382,375 3.702,376 2.504,377 5.295,378 3.281,379 2.321,380 3.004,381 0.13,382 6.782,383 2.209,384 3.178,385 2.215,386 4.717,387 2.698,388 1.771,389 2.471,391 5.118,392 1.628,393 2.886,394 1.577,395 4.319,396 2.447,397 1.455,398 2.04,400 3.894,401 1.443,402 2.792,403 1.479,404 3.943,405 2.268,406 1.325,407 1.845,409 3.06,410 1.231,411 2.5,412 1.427,413 3.802,414 2,415 1.136,416 1.5,418 2.841,419 1,420 2.399,421 1.394,422 3.693,423 1.984,424 1,425 1.376,427 2.372,428 0.983,429 2.071,430 1,431 3.286,432 1.983,433 1,434 1.04,436 2.136,437 0.945,438 1.554,439 1,440 3.247,441 1.223,442 0.372,443 0.404,445 0.519,446 0.313,447 1.49,448 0.518,449 2.887,450 1.126,451 0.241,452 0.311,454 0.458,455 0.209,456 1.259,457 0.364,458 2.773,459 1.057,460 0.102,461 0.113,463 0.267,464 0.097,465 0.909,466 0.016,467 2.573,468 0.697,469 -0.274,470 -0.307,472 -0.678,473 -0.264,474 13.4,475 0.496,476 0.659,477 0.024,478 33.5,479 1.241,480 16.5,481 0.611,482 17,483 0.63,484 24.435,485 0.905,486 28.9,487 0.545,488 22.98,489 0.851,490 6.691,491 0.248,492 6.407,493 0.237,494 0.112,495 0.03,496 0.261,501 0.897,502 1.246,503 0.797,504 1.019,505 0.858,506 0.98,507 1.564,508 0.737,509 0.888,510 0.67,511 1.053,512 0.724,513 0.773,514 1.177,515 1.105,516 1.158,517 0.764,518 1.168,519 0.705,520 1.067,521 1.037,522 1.103,523 0.769,524 1.031,525 1.014,526 1.004,527 1.067,528 1.047,529 1.041,530 0.987,531 0.495,532 1.136,533 1.103,534 1.163,535 0.795,536 1.167,537 0.516,538 1.157,539 1.316,540 1.309,541 0.72,542 1.121,543 1.35,544 0.828,545 0.786,546 0.749,547 1.13,548 0.819,549 6.5,550 0.126,551 3.111,552 1.917,553 1.814,554 0.9,555 0.569,556 0.486,557 0.152,558 0.234,559 9449,560 20883,561 2.11,562 49.1,564 24,569 2,572 1.697,573 1.988,574 3.514,575 -0.843,577 1,582 75.326,583 1.421,584 3.275,585 4.426,586 4.916,587 5.006,588 5.044,589 2.985,590 3.912,591 4.724,592 3.671,593 1288.68,594 8.179,595 16661.2,597 1,599 1,600 303.58,601 1.481,602 4.685,603 0.217,604 0.007,605 0.072,606 0.045,607 0.048,608 0.026,609 0.019,610 0.02,611 0.007,612 0.011,613 0.471,614 0.67,615 1,616 0.806,617 134.87,618 0.042,619 -0.153,620 0.094,621 -0.032,622 0.036,623 0.001,624 -0.202,625 0.364,626 0.103,627 0.299,628 -0.014,629 0.22,630 0.085,631 -0.137,632 -0.108,633 -0.132,634 0.07,635 -0.176,636 0.05,637 -0.082,638 0.019,639 -0.068,640 0.057,641 -0.028,642 -0.031,643 -0.022,644 -0.014,645 -0.028,646 -0.061,647 0.002,648 -0.009,649 -0.144,650 -0.106,651 -0.138,652 -0.106,653 -0.155,654 0.053,655 -0.177,656 -0.129,657 -0.193,658 0.019,659 -0.092,660 -0.073,661 0.123,662 0.122,663 0.159,664 -0.008,665 0.135,666 0.876,667 1.947,668 0.778,669 27.292,670 0.988,671 1.114,672 0.083,673 0.007,674 0.681,675 3.434,676 3.784,677 4.06,678 4.331,679 4.585,680 4.682,681 4.812,682 4.997,683 5.05,684 5.088,685 6.811,686 0.627,687 380.57,688 3.434,689 4.99,690 5.849,691 6.744,692 7.621,693 8.521,694 9.405,695 10.307,696 11.196,697 12.1,698 1.9,712 1,714 2,715 8,719 1,720 4,722 16,739 2,741 53,743 17,744 2,745 30,747 56,748 23,749 14,750 5,751 7,752 2,756 4,757 5,767 1,770 1,772 16,773 7,777 1,784 1,786 1,790 1,793 26,794 2,796 4,797 1,802 1,803 1,807 1,808 0.75,809 2,828 1,829 3,832 1,849 1,850 1,859 3,862 1,864 3,868 27,876 4,878 2,883 1,888 1,893 3.8,898 2,901 13.583,902 10.5,903 5.958,904 3.174,907 3.269,908 1.426,909 0.978,910 5.244,911 10.949,912 3.689,913 4.314,914 4.906,915 5.51,916 6.067,917 6.41,918 6.811,919 7.236,920 7.374,921 7.553,922 0.875,923 43,924 9.976,926 4.156,927 0.026,929 7.426,931 19.798,933 16.544,936 1.926,937 52,939 1,940 1,941 306.049,942 177.113,945 22,947 31.278,948 145.836,949 328.048,951 30.162,952 8.852,953 85.286,955 41.431,956 2.104,957 337.326,959 306.049,960 145.836,961 22,962 31.278,964 282.506,965 45.542,968 8.852,969 127.508,970 9.476,971 31.278,972 306.049,973 22,974 177.113,977 306.049,978 61.664,979 115.449,981 22,982 306.049,983 22,984 177.113,986 0.582,987 0.346,988 0.186,989 0.104,990 22,991 9,992 0.089,993 5,994 1,995 1.095,996 3.923,997 233.211,998 0.095,999 21,1000 124.382,1001 1,1005 18.516,1006 7.647,1007 3.898,1008 2.469,1009 22,1010 17.266,1014 1.846,1015 4.367,1018 505.162,1019 39,1026 2.436,1028 1.47,1031 52.378,1032 59.027,1034 0.248,1035 0.572,1036 0.773,1037 0.858,1038 0.874,1039 0.881,1040 4.942,1041 1.325,1042 5.866,1043 3.894,1044 4.466,1045 5.001,1046 1.941,1047 6.723,1048 4.352,1049 6.17,1050 1.136,1051 7.456,1052 3.06,1053 4.205,1054 4.879,1055 0.931,1056 7.904,1057 3.998,1058 7.503,1059 1,1060 9.152,1061 2.841,1062 6.155,1063 7.241,1064 1.899,1065 10.904,1066 5.923,1067 8.872,1068 1,1069 10.912,1070 2.372,1071 6.711,1072 7.927,1073 1.505,1074 12.879,1075 6.361,1076 10.27,1077 0.372,1078 12.713,1079 2.136,1080 8.154,1081 9.779,1082 2.073,1083 15.462,1084 7.781,1085 11.688,1086 0.241,1087 14.54,1088 0.519,1089 9.056,1090 10.853,1091 2.008,1092 17.729,1093 8.564,1094 13.121,1095 0.102,1096 16.388,1097 0.458,1098 10.317,1099 12.495,1100 2.401,1101 20.203,1102 9.786,1103 3.311,1104 -0.274,1105 18.249,1106 0.267,1107 11.37,1108 13.774,1109 2.509,1110 22.583,1111 10.729,1112 3.115,1113 11.92,1114 20.122,1115 -0.678,1116 12.566,1117 15.325,1118 2.827,1119 25.034,1120 11.87,1121 2.751,1122 10.155,1123 22.003,1124 4.505,1125 13.685,1126 16.712,1127 3.021,1128 27.46,1129 12.889,1130 2.425,1131 8.966,1132 23.892,1133 3.637,1134 14.862,1135 18.227,1136 3.309,1137 29.911,1138 13.998,1139 2.321,1140 7.718,1141 25.787,1142 3.519,1143 16.011,1144 19.67,1145 3.544,1146 32.358,1147 15.056,1148 1.771,1149 6.782,1150 27.687,1151 3.244,1152 17.183,1153 21.172,1154 3.819,1155 34.816,1156 16.154,1157 1.455,1158 5.118,1159 29.592,1160 3.004,1161 18.347,1162 22.644,1163 4.073,1164 37.274,1165 17.23,1166 8959,1167 13464,1168 20.167,1169 36.08,1170 44.997,1171 45.503,1172 46.507,1173 44.6,1174 44.65,1175 58.019,1176 7.037,1177 132.412,1178 42.032,1179 5.511,1180 5.705,1181 6.801,1182 5.353,1183 5.311,1184 7.505,1185 2.17,1186 18.701,1187 5.05,1188 11.786,1189 1.5,1190 1.517,1191 1.55,1192 1.487,1193 1.488,1194 1.934,1195 0.235,1196 4.414,1197 1.401,1198 4.114,1199 4.13,1200 4.342,1201 4.124,1202 4.978,1203 4.075,1204 3.971,1205 4.008,1206 3.902,1207 3.879,1208 4.758,1209 3.874,1210 3.812,1211 3.854,1212 3.727,1213 3.708,1214 4.6,1215 3.708,1216 3.508,1217 3.533,1218 3.571,1219 3.377,1220 4.496,1221 3.367,1222 3.279,1223 3.343,1224 3.163,1225 3.109,1226 4.384,1227 3.101,1228 3.249,1229 3.314,1230 3.075,1231 2.967,1232 3.98,1233 2.97,1234 3.045,1235 3.136,1236 2.9,1237 2.878,1238 3.686,1239 2.851,1240 2.983,1241 3.061,1242 2.811,1243 2.827,1244 3.674,1245 2.803,1246 0.152,1247 0.124,1248 0.233,1249 0.141,1250 0.11,1251 4.574,1252 0.15,1253 3.705,1254 0.044,1255 6.999,1256 0.397,1257 4.23,1258 0.102,1259 3.311,1260 4.505,1261 1.31,1262 11.92,1263 3.05,1264 1.969,1265 1.927,1266 2.116,1267 2.125,1268 1.441,1269 2.128,1270 1.908,1271 1.902,1272 1.99,1273 1.986,1274 1.141,1275 1.984,1276 1.838,1277 1.806,1278 1.953,1279 1.934,1280 1.118,1281 1.954,1282 1.48,1283 1.444,1284 1.645,1285 1.613,1286 0.865,1287 1.64,1288 1.235,1289 1.183,1290 1.576,1291 1.523,1292 0.706,1293 1.539,1294 1.2,1295 1.136,1296 1.565,1297 1.501,1298 0.587,1299 1.527,1300 1.14,1301 1.072,1302 1.438,1303 1.318,1304 0.576,1305 1.374,1306 1.066,1307 0.985,1308 1.366,1309 1.243,1310 0.54,1311 1.303,1312 4.111,1314 5.451,1315 2.398,1316 6.991,1317 4.727,1318 8.616,1319 6.843,1320 10.284,1322 5.737,1328 4.447,1330 10.893,1335 1.069,1340 33.223,1341 75.326,1342 173.564,1343 234.56,1344 260.56,1345 265.315,1346 267.315,1347 34.283,1348 7.68,1349 18.46,1350 46.7,1351 23,1352 12.622,1353 4.17,1354 3.322,1355 40.437,1356 111,1357 106,1358 0.18,1359 205.783,1360 351.61,1361 493.87,1362 22619,1364 18.855,1365 0.698,1366 0.632,1367 19.209,1368 17.066,1369 13.099,1370 0.437,1371 0.344,1372 9.426,1373 12.202,1374 9.011,1375 7.53,1376 13.507,1377 10.307,1378 11.916,1379 0.277,1380 0.206,1381 12.558,1382 8.846,1383 10.214,1384 0.179,1385 0.12,1386 11.017,1387 6.825,1388 8.485,1389 0.113,1390 0.069,1391 9.396,1392 5.149,1393 7.033,1394 0.073,1395 0.04,1396 7.877,1397 3.845,1398 0.286,1399 85.685,1400 0.223,1401 26.122,1402 0.485,1403 146,1404 344.664,1405 179.822,1406 354.315,1407 495.51,1408 336,1409 173,1410 351.806,1411 206.304,1412 379.859,1413 553.93,1414 354,1415 5.572}
{0 CHEMBL191739,1 1.963,2 8.917,3 4.406,4 19.409,5 91.968,6 15.267,7 0.48,8 3.559,9 3.6,10 3.714,11 3.221,12 5.054,13 3.23,14 3.985,15 4.016,16 4.182,17 3.612,18 5.729,19 3.613,20 4.243,21 4.309,22 4.453,23 3.746,24 5.907,25 3.74,26 4.319,27 4.382,28 4.501,29 3.604,30 6.081,31 3.645,32 4.085,33 4.153,34 3.917,35 3.312,36 5.835,37 3.407,38 3.985,39 4.013,40 4.16,41 3.268,42 6.099,43 3.336,44 3.835,45 3.908,46 4.063,47 3.192,48 5.888,49 3.211,50 3.699,51 3.823,52 3.872,53 3.12,54 5.236,55 3.095,56 0.297,57 0.383,58 6.07,59 1.998,60 45.728,61 1.515,62 0.559,63 0.543,64 11.279,65 3.532,66 112.641,67 2.598,68 0.734,69 0.698,70 29.413,71 5.611,72 125.713,73 4.183,74 1,75 0.696,76 38.41,77 7.515,78 162.389,79 4.388,80 0.851,81 0.583,82 9.679,83 4.364,84 168.488,85 2.575,86 0.846,87 0.493,88 8.149,89 4.206,90 175.358,91 2.184,92 0.657,93 0.449,94 13.859,95 3.953,96 130.479,97 3.171,98 0.428,99 0.438,100 15.088,101 3.296,102 64.743,103 2.82,104 69,105 36,106 0.362,107 0.579,108 0.637,109 0.695,110 0.695,111 0.695,112 3.228,113 0.933,114 -4.89,115 -4.8,116 -4.5,119 2,121 46.7,144 6,145 2,146 4,159 2,168 4,176 6,179 2,180 4,187 6,191 1,192 16,200 7,206 20,214 6,218 2,219 6,227 6,231 6,232 4,239 4,243 4,244 10,251 3,256 10,264 4,268 1,269 4,277 2,281 772,282 15.19,283 15.19,284 15.19,285 15.19,286 15.19,287 12.908,288 11.594,289 8.568,290 15.518,291 12.205,292 12.205,293 12.205,294 12.205,295 12.205,296 8.703,297 8.529,298 3.958,299 12.817,300 2.944,301 1.767,302 1.45,303 1.133,304 1.133,305 1.133,306 3.879,311 1,312 1,313 432,314 3.873,318 174.205,325 1.431,326 52.964,329 1,330 0.83,331 1,332 0.4,334 1,335 1,336 0.75,337 54.5,338 214,339 4.502,340 3.864,341 6.58,342 4.127,343 3.12,344 4.202,345 2.612,346 10.268,347 3.16,348 4.407,349 3.818,350 6.379,351 3.917,352 2.973,353 4.139,354 2.612,355 9.611,356 2.797,357 4.194,358 3.787,359 6.282,360 3.75,361 2.788,362 3.681,364 9.165,365 2.632,366 3.747,367 3.02,368 5.625,369 3.281,370 2.284,371 3.219,373 7.233,374 2.262,375 3.491,376 2.894,377 4.712,378 2.823,379 1.895,380 2.87,382 4.792,383 1.734,384 3.372,385 2.835,386 4.698,387 2.746,388 1.853,389 2.665,391 4.749,392 1.558,393 2.906,394 1.977,395 4.49,396 2.392,397 1.414,398 2.012,400 4.038,401 1.279,402 2.607,403 1.946,404 3.618,405 2,406 1,407 1.596,409 2.427,410 1,411 2.607,412 1.386,413 3.605,414 2,415 1,416 1.595,418 2.419,419 1,420 2.293,421 1.386,422 3.347,423 1.639,424 0.572,425 0.89,427 1.348,428 0.56,429 1.244,430 1,431 2.526,432 0.711,433 -0.11,434 -0.14,436 -0.251,437 -0.063,438 1.24,439 1,440 2.317,441 0.683,442 -0.186,443 -0.257,445 -0.412,446 -0.116,447 1,448 0.604,449 2.315,450 0.174,451 -0.818,452 -1.171,454 -2,455 -0.784,456 1,457 0.587,458 2.13,459 0.174,460 -0.819,461 -1.182,463 -2,464 -0.784,465 0.657,466 -0.214,467 1.86,469 -1,470 -1.538,472 -2.495,473 -0.915,474 12.467,475 0.519,476 0.868,477 0.036,478 35.5,479 1.479,480 21,481 0.875,482 14.5,483 0.604,484 17.689,485 0.737,486 24.133,487 0.804,488 26.882,489 1.12,490 6.772,491 0.282,492 4.447,493 0.185,494 0.374,496 0.385,501 0.356,502 0.714,503 0.481,504 0.495,505 0.553,506 0.617,507 0.562,508 1.026,509 0.622,510 0.709,511 0.516,512 0.83,513 0.769,514 1.196,515 1.011,516 1.09,517 0.653,518 1.126,519 1.324,520 1.125,521 1.265,522 1.372,523 1.298,524 1.277,525 1.579,526 0.869,527 0.381,528 0.565,529 1.639,530 0.743,531 0.979,532 0.858,533 0.679,534 0.825,535 1.136,536 0.947,537 0.41,538 1.1,539 0.705,540 0.939,541 0.419,542 1.018,543 0.869,544 1.205,545 0.837,546 0.819,547 0.605,548 0.936,549 6,550 0.223,551 4,552 2.375,553 1.627,554 1.167,555 0.568,556 0.392,557 0.23,558 0.191,559 5373,560 30885,561 1.88,562 20,564 6,572 1.671,573 1.674,574 3.185,575 -0.576,577 1,582 58.884,583 1.963,584 3.14,585 3.457,586 3.774,587 3.774,588 3.774,589 2.522,590 3.418,591 4.559,592 3.344,593 922.905,594 7.878,595 10793.4,600 147.207,601 1.555,602 4.453,603 0.24,604 0.019,605 0.111,606 0.059,607 0.045,608 0.039,609 0.02,610 0.016,611 0.011,612 0.012,613 0.573,614 0.17,615 1,616 1.018,617 113.276,618 0.269,619 0.355,620 0.002,621 0.128,622 0.009,623 0.042,624 0.151,625 -0.083,626 -0.006,627 0.011,628 0.171,629 -0.072,630 -0.004,631 -0.236,632 -0.076,633 -0.182,634 0.063,635 -0.16,636 -0.295,637 -0.213,638 -0.141,639 -0.306,640 -0.259,641 -0.205,642 -0.457,643 0.115,644 0.017,645 0.178,646 -0.455,647 0.166,648 0.18,649 0.084,650 0.012,651 0.04,652 0.082,653 -0.09,654 0.531,655 -0.162,656 0.088,657 -0.039,658 0.497,659 0.059,660 -0.105,661 -0.156,662 0.039,663 0.105,664 0.078,665 0.225,666 2.699,667 5.228,668 0.5,669 18.528,670 1.076,671 1.106,672 3.662,673 13.412,674 0.791,675 3.258,676 3.611,677 3.85,678 4.007,679 4.174,680 4.205,681 4.205,682 4.111,683 3.989,684 4.043,685 5.68,686 0.799,687 458.02,688 3.258,689 4.812,690 5.659,691 6.538,692 7.404,693 8.284,694 9.155,695 10.034,696 10.907,697 11.787,698 6.7,709 2,715 6,720 6,722 12,727 2,735 2,740 2,741 30,743 18,744 2,745 25,746 2,747 31,748 14,749 12,750 6,751 6,752 2,756 2,757 2,772 14,777 6,779 2,782 6,786 2,790 1,793 6,794 6,796 10,797 2,802 2,808 1,809 6,829 2,859 2,863 2,868 24,892 2,893 20,896 2,899 4,901 14.333,902 5.686,903 5.278,904 1.589,907 2.53,908 1.385,909 0.945,910 5.471,911 9.095,912 3.638,913 4.277,914 4.808,915 5.297,916 5.794,917 6.039,918 6.271,919 6.293,920 6.324,921 6.647,922 0.833,923 40,924 8.919,926 4.008,927 0.026,929 8.701,931 15.327,933 12.066,936 3.201,937 76.833,941 70.627,942 85.119,943 103.248,945 151.784,948 177.027,949 222.41,950 11.34,951 11.34,953 56.857,954 60.557,955 17.995,957 70.627,958 193.402,959 70.627,960 96.459,961 151.784,963 91.908,964 70.627,965 50.29,966 101.494,969 85.119,970 11.34,971 91.908,972 70.627,973 163.124,974 177.027,977 70.627,978 28.262,979 68.198,980 91.908,981 151.784,982 70.627,983 163.124,984 177.027,986 0.6,987 0.356,988 0.172,989 0.087,990 16,991 10,992 0.161,993 5,995 1,996 3.353,997 188.673,999 12,1000 82.039,1005 18.238,1006 7.199,1007 3.882,1009 151.784,1010 7.01,1015 -0.765,1018 410.778,1019 37,1021 -1.397,1024 68.027,1028 -1.996,1031 32.276,1032 33.182,1034 0.4,1035 0.64,1036 0.704,1037 0.769,1038 0.769,1039 0.769,1040 4.875,1041 1,1042 5.694,1043 4.038,1044 4.29,1045 4.963,1046 3.153,1047 6.535,1048 4.211,1049 6.137,1050 1,1051 7.298,1052 2.427,1053 4.111,1054 5.037,1055 3.006,1056 7.535,1057 3.963,1058 7.48,1059 0.572,1060 8.999,1061 2.419,1062 5.932,1063 7.227,1064 4.84,1065 10.6,1066 5.811,1067 8.857,1068 -0.11,1069 10.752,1070 1.348,1071 6.494,1072 8.035,1073 5.194,1074 12.341,1075 6.33,1076 10.259,1077 -0.186,1078 12.536,1079 -0.251,1080 7.865,1081 9.763,1082 6.64,1083 14.945,1084 7.719,1085 11.678,1086 -0.818,1087 14.34,1088 -0.412,1089 8.735,1090 10.885,1091 7.248,1092 16.986,1093 8.566,1094 13.112,1095 -0.819,1096 16.158,1097 -2,1098 9.943,1099 12.44,1100 8.487,1101 19.413,1102 9.783,1103 3.12,1104 -1,1105 17.986,1106 -2,1107 10.947,1108 13.709,1109 9.241,1110 21.589,1111 10.777,1112 2.973,1113 10.268,1114 19.822,1115 -2.495,1116 12.092,1117 15.192,1118 10.363,1119 23.943,1120 11.93,1121 2.788,1122 9.611,1123 21.664,1124 4.202,1125 13.155,1126 16.533,1127 11.202,1128 26.182,1129 12.993,1130 2.284,1131 9.165,1132 23.51,1133 4.139,1134 14.278,1135 17.983,1136 12.256,1137 28.505,1138 14.125,1139 1.895,1140 7.233,1141 25.359,1142 3.681,1143 15.367,1144 19.362,1145 13.145,1146 30.776,1147 15.222,1148 1.853,1149 4.792,1150 27.212,1151 3.219,1152 16.483,1153 20.798,1154 14.161,1155 33.087,1156 16.349,1157 1.414,1158 4.749,1159 29.066,1160 2.87,1161 17.586,1162 22.198,1163 15.079,1164 35.374,1165 17.464,1166 5583,1167 13494,1168 15.145,1169 23.727,1170 38.654,1171 41.93,1172 41.073,1173 38.311,1174 37.799,1175 53.737,1176 10.45,1177 112.098,1178 35.962,1179 5.333,1180 5.864,1181 5.877,1182 5.127,1183 5.12,1184 7.202,1185 4.612,1186 17.474,1187 5.16,1188 17.229,1189 1.546,1190 1.677,1191 1.643,1192 1.532,1193 1.512,1194 2.149,1195 0.418,1196 4.484,1197 1.438,1198 4.043,1199 4.056,1200 6.882,1201 3.954,1202 7.818,1203 3.954,1204 3.957,1205 3.974,1206 6.879,1207 3.862,1208 7.812,1209 3.855,1210 3.609,1211 3.609,1212 3.958,1213 3.325,1214 7.496,1215 3.363,1216 3.469,1217 3.488,1218 3.857,1219 3.039,1220 7.352,1221 3.136,1222 3.28,1223 3.278,1224 3.602,1225 2.98,1226 6.999,1227 3.045,1228 2.887,1229 2.903,1230 3.424,1231 2.874,1232 6.999,1233 2.813,1234 2.672,1235 2.724,1236 3.14,1237 2.515,1238 4.672,1239 2.48,1240 2.617,1241 2.648,1242 2.662,1243 2.405,1244 4.638,1245 2.423,1246 0.18,1247 0.155,1248 0.263,1249 0.165,1250 0.125,1251 4.502,1252 0.168,1253 3.864,1254 0.104,1255 6.58,1256 0.411,1257 4.127,1258 0.126,1259 3.12,1260 4.202,1261 2.612,1262 10.268,1263 3.16,1264 1.959,1265 1.948,1266 2,1267 2.093,1268 1.134,1269 2.059,1270 1.887,1271 1.871,1272 1.931,1273 2.047,1274 1.075,1275 2.002,1276 1.363,1277 1.369,1278 1.347,1279 1.749,1280 0.346,1281 1.628,1282 1.188,1283 1.162,1284 1.274,1285 1.628,1286 0.213,1287 1.532,1288 1.104,1289 1.079,1290 1.235,1291 1.375,1292 0.213,1293 1.335,1294 0.851,1295 0.829,1296 0.997,1297 0.989,1298 0.093,1299 1.014,1300 0.593,1301 0.554,1302 0.806,1303 0.878,1305 0.888,1306 0.502,1307 0.478,1308 0.629,1309 0.745,1311 0.744,1312 3.932,1314 5.273,1316 6.806,1318 8.422,1320 10.081,1321 5.955,1340 23.962,1341 58.884,1342 94.187,1343 103.697,1344 113.207,1345 113.207,1346 113.207,1347 92.213,1348 6.565,1349 125.78,1350 125.78,1351 12,1352 12.324,1353 4.248,1354 3.7,1355 48.34,1356 82,1357 64,1358 0.296,1359 162.396,1360 291.14,1361 388.007,1362 5061,1363 6.7,1364 18.016,1365 0.751,1366 0.614,1367 20.016,1368 14.736,1369 11.218,1370 0.449,1371 0.311,1372 6.171,1373 9.521,1374 5.994,1375 4.918,1376 12.373,1377 7.776,1378 10.635,1379 0.295,1380 0.173,1381 12.118,1382 6.214,1383 8.626,1384 0.188,1385 0.095,1386 10.06,1387 4.357,1388 6.454,1389 0.12,1390 0.049,1391 7.829,1392 2.633,1393 4.721,1394 0.074,1395 0.027,1396 5.498,1397 1.709,1398 0.457,1399 89.004,1400 0.257,1401 23.127,1402 0.835,1403 122,1404 565.012,1405 270.302,1406 604.729,1407 751.92,1408 546,1409 143,1410 475.469,1411 229.449,1412 492.692,1413 710.46,1414 458,1415 4}
{0 CHEMBL191758,1 1.442,2 7.65,3 3.243,4 10.518,5 84.852,6 7.246,7 0.5,8 3.769,9 3.908,10 3.314,11 3.352,12 4.736,13 3.294,14 4.335,15 4.528,16 3.677,17 3.774,18 5.23,19 3.678,20 4.636,21 4.891,22 3.764,23 3.904,24 5.468,25 3.781,26 4.579,27 4.828,28 3.706,29 3.836,30 5.463,31 3.716,32 4.527,33 4.766,34 3.592,35 3.836,36 5.328,37 3.697,38 4.571,39 4.817,40 3.555,41 3.842,42 5.333,43 3.659,44 4.595,45 4.879,46 3.372,47 3.726,48 5.329,49 3.492,50 4.405,51 4.717,52 2.991,53 3.378,54 5.224,55 3.104,56 0.046,57 0.585,58 8.945,59 3.681,60 5.555,61 5.269,62 0.09,63 0.951,64 17.126,65 6.649,66 11.772,67 9.551,68 0.19,69 1.175,70 26.489,71 8.709,72 21.85,73 12.683,74 0.293,75 1.135,76 24.484,77 7.713,78 28.087,79 11.425,80 0.173,81 1.078,82 21.718,83 7.772,84 17.282,85 11.341,86 0.161,87 1.057,88 23.724,89 8.992,90 16.442,91 12.841,92 0.168,93 0.977,94 28.005,95 9.382,96 19.808,97 13.235,98 0.247,99 0.74,100 27.051,101 7.331,102 29.659,103 10.348,104 9,105 30,106 0.259,107 0.613,108 0.775,109 0.866,110 0.884,111 0.884,112 3.059,113 1.053,114 -3.88,115 -3.84,116 -3.65,121 40,123 5,127 2,144 3,145 2,146 2,148 2,165 1,166 1,167 1,176 6,180 4,185 4,187 10,189 1,192 3,197 2,200 6,206 3,209 1,210 1,211 4,213 1,214 9,224 1,227 8,232 1,237 3,239 10,241 2,249 2,251 4,253 2,258 1,259 1,261 4,264 2,266 4,274 1,279 1,281 494,282 13.853,283 13.853,284 13.853,285 13.853,286 13.853,287 12.541,288 14.965,289 8.494,290 14.119,291 10.868,292 10.868,293 10.868,294 10.868,295 10.868,296 8.774,297 15.549,298 4.021,299 11.358,300 3.88,301 1.908,302 1.007,303 0.5,304 0.4,305 0.4,306 3.744,308 1,310 1,311 1,312 1,313 326,314 2.646,318 110.437,322 125.292,325 1.085,326 13.099,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 41.833,338 153,339 4.651,340 3.373,341 6.833,342 4.214,343 3.235,344 4.582,345 0.4,346 11.364,347 3.165,348 3.99,349 2.943,350 6.004,351 3.58,352 2.61,353 3.534,355 8.477,356 2.532,357 3.584,358 2.562,359 5.427,360 3.191,361 2.251,362 2.961,364 6.886,365 2.101,366 3.365,367 2.271,368 4.899,369 2.882,370 1.982,371 2.699,373 5.573,374 1.705,375 2.743,376 1.817,377 4.121,378 2.624,379 1.653,380 1.785,382 3.489,383 1.602,384 2.588,385 1.491,386 3.948,387 2.425,388 1.434,389 1.602,391 3.34,392 1.415,393 2.488,394 1.433,395 3.623,396 2.249,397 1.257,398 1.487,400 3.019,401 1.246,402 2.103,403 1.245,404 3.451,405 1.992,406 1.036,407 1.084,409 2.274,410 0.983,411 1.724,412 0.799,413 2.976,414 1.52,415 0.571,416 0.637,418 1.079,419 0.535,420 1.266,421 0.306,422 2.664,423 0.95,429 1.121,430 0.13,431 2.534,432 0.7,433 -0.185,434 -0.23,436 -0.434,437 -0.135,438 0.727,439 -0.304,440 2.34,441 0.464,442 -0.494,443 -0.563,445 -1.032,446 -0.472,447 0.496,448 -0.474,449 2,450 0.196,451 -0.72,452 -0.835,454 -1.751,455 -0.595,456 0.262,457 -0.749,458 1.864,459 0.039,460 -0.928,461 -1.032,463 -2.204,464 -0.9,465 0.155,466 -0.976,467 1.752,468 -0.19,469 -1.149,470 -1.473,472 -2.888,473 -1.032,474 9.914,475 0.496,476 0.38,477 0.019,478 23,479 1.15,480 10.5,481 0.525,482 12.5,483 0.625,484 17.857,485 0.893,486 21.886,487 0.547,488 13.44,489 0.672,490 4.041,491 0.202,492 5.751,493 0.288,494 0.112,496 0.303,501 0.879,502 1.187,503 0.702,504 0.925,505 0.934,506 0.928,507 0.793,508 1.212,509 0.733,510 0.994,511 0.685,512 0.996,513 0.968,514 1.033,515 0.819,516 0.869,517 0.828,518 0.85,519 0.986,520 0.938,521 0.834,522 0.888,523 0.831,524 0.925,525 0.993,526 0.983,527 0.824,528 0.94,529 0.822,530 1.027,531 0.566,532 1.142,533 0.846,534 1.17,535 0.639,536 1.195,537 0.837,538 1.106,539 1.082,540 1.162,541 0.926,542 1.137,543 1.363,544 0.932,545 1.481,546 1.132,547 1.522,548 1.075,549 3,551 2,552 1.375,553 1.311,554 0.521,555 0.422,556 0.208,557 0.131,558 0.051,559 3394,560 8027,561 2.107,562 50,563 6,564 7,567 3,568 2,570 2,572 1.625,573 2,574 2.913,575 1.054,576 1,577 1,579 1,582 57.684,583 1.442,584 3.414,585 4.315,586 4.822,587 4.922,588 4.922,589 2.39,590 4.122,591 4.286,592 3.024,593 574.474,594 7.367,595 5724.12,596 1,597 1,598 1,599 1,600 212.877,601 1.295,602 4.266,603 0.136,605 0.067,606 0.043,607 0.045,608 0.02,609 0.019,610 0.013,611 0.015,612 0.017,613 0.375,614 0.83,615 1,616 1.413,617 86.572,618 -0.087,619 0.054,620 0.012,621 0.075,622 -0.085,623 0.068,624 -0.023,625 -0.093,626 0.029,627 -0.009,628 0.053,629 -0.006,630 -0.022,631 -0.02,632 0.072,633 0.089,634 0.015,635 0.117,636 0.069,637 0.133,638 0.006,639 0.033,640 0.042,641 0.011,642 -0.161,643 0.083,644 -0.071,645 0.003,646 -0.137,647 -0.066,648 0.078,649 -0.166,650 -0.036,651 -0.177,652 0.007,653 -0.193,654 0.01,655 -0.235,656 -0.041,657 -0.155,658 -0.008,659 -0.136,660 -0.059,661 -0.11,662 -0.137,663 -0.135,664 -0.043,665 -0.103,666 0.923,667 1.993,668 0.7,669 14.24,670 0.99,671 1.129,672 2.653,673 7.039,674 0.668,675 3.135,676 3.434,677 3.738,678 4.06,679 4.369,680 4.477,681 4.595,682 4.691,683 4.691,684 4.466,685 4.611,686 0.616,687 289.84,688 3.135,689 4.654,690 5.509,691 6.395,692 7.281,693 8.183,694 9.081,695 9.989,696 10.893,697 11.803,698 7.5,699 1,703 1,708 1,714 2,715 3,716 1,720 4,722 11,734 1,740 1,741 40,743 11,744 1,745 22,747 42,748 16,749 9,750 3,751 3,756 3,757 6,758 1,763 1,767 4,770 5,772 9,773 7,789 1,790 1,793 20,794 3,795 3,796 4,797 1,802 3,808 0.333,822 1,829 3,833 2,851 1,859 1,865 1,868 20,869 1,876 7,877 1,892 1,901 10,902 6.926,903 4.528,904 2.684,907 2.425,908 1.352,909 1.01,910 4.202,911 9.324,912 3.35,913 3.961,914 4.605,915 5.264,916 5.91,917 6.292,918 6.664,919 7.032,920 7.302,921 7.128,922 1,923 32,924 7.403,926 3.104,927 0.026,929 7.506,931 14.687,933 12.38,936 2.006,937 40.111,938 0.002,941 200.109,942 62.23,943 67.693,944 39.149,948 62.23,949 239.257,950 67.693,952 49.781,953 28.429,954 34.796,955 16.917,957 200.109,958 39.149,959 200.109,960 129.923,962 39.149,964 176.567,965 23.542,968 54.682,969 40.445,970 73.945,972 200.109,973 67.693,974 101.378,977 200.109,978 33.801,979 28.429,980 18.011,981 88.831,982 200.109,983 67.693,984 101.378,986 0.563,987 0.329,988 0.193,989 0.118,990 15,991 6,992 0.095,993 4,994 2,995 1.286,996 3.205,997 154.504,998 0.286,999 14,1000 86.439,1005 13.81,1006 6.085,1007 2.832,1008 2.167,1009 67.693,1010 5.971,1011 4.816,1015 4.618,1017 50.908,1018 369.18,1019 27.5,1031 39.582,1032 45.176,1034 0.271,1035 0.641,1036 0.811,1037 0.906,1038 0.925,1039 0.925,1040 4.572,1041 1.036,1042 5.476,1043 3.019,1044 4.111,1045 4.644,1046 0.278,1047 6.304,1048 4.03,1049 5.766,1050 0.571,1051 7.034,1052 2.274,1053 3.611,1054 4.559,1056 7.248,1057 3.453,1058 7.081,1060 8.702,1061 1.079,1062 5.694,1063 6.932,1064 0.05,1065 10.413,1066 5.558,1067 8.442,1068 -0.185,1069 10.437,1071 6.066,1072 7.717,1074 12.232,1075 5.885,1076 9.842,1077 -0.494,1078 12.217,1079 -0.434,1080 7.594,1081 9.572,1082 0.008,1083 14.912,1084 7.42,1085 11.27,1086 -0.72,1087 14.028,1088 -1.032,1089 8.395,1090 10.751,1092 17.086,1093 8.194,1094 12.719,1095 -0.928,1096 15.86,1097 -1.751,1098 9.695,1099 12.404,1100 0.001,1101 19.602,1102 9.489,1103 3.235,1104 -1.149,1105 17.709,1106 -2.204,1107 10.7,1108 13.769,1110 21.923,1111 10.472,1112 2.61,1113 11.364,1114 19.571,1115 -2.888,1116 11.911,1117 15.34,1119 24.383,1120 11.671,1121 2.251,1122 8.477,1123 21.442,1124 4.582,1125 13.007,1126 16.789,1128 26.765,1129 12.747,1130 1.982,1131 6.886,1132 23.322,1133 3.534,1134 14.188,1135 18.329,1137 29.205,1138 13.911,1139 1.653,1140 5.573,1141 25.207,1142 2.961,1143 15.325,1144 19.817,1146 31.614,1147 15.027,1148 1.434,1149 3.489,1150 27.098,1151 2.699,1152 16.496,1153 21.344,1155 34.047,1156 16.18,1157 1.257,1158 3.34,1159 28.994,1160 1.785,1161 17.651,1162 22.85,1164 36.467,1165 17.314,1166 3383,1167 5307,1168 14.909,1169 26.728,1170 32.002,1171 32.737,1172 33.475,1173 32.254,1174 32.058,1175 40.742,1176 0.8,1177 91,1178 30.566,1179 5.597,1180 5.373,1181 6.741,1182 5.255,1183 5.235,1184 7.582,1185 0.8,1186 18.902,1187 5.165,1188 7.918,1189 1.455,1190 1.488,1191 1.522,1192 1.466,1193 1.457,1194 1.852,1195 0.036,1196 4.136,1197 1.389,1198 4.113,1199 4.142,1200 4.125,1201 4.045,1202 5.042,1203 4.048,1204 3.737,1205 3.78,1206 3.777,1207 3.661,1208 5.002,1209 3.646,1210 3.651,1211 3.734,1212 3.491,1213 3.471,1214 4.684,1215 3.462,1216 3.311,1217 3.384,1218 3.381,1219 3.181,1220 4.212,1221 3.17,1222 3.153,1223 3.231,1224 3.046,1225 2.972,1226 4.143,1227 2.971,1228 3.037,1229 3.14,1230 2.945,1231 2.787,1232 3.93,1233 2.775,1234 2.887,1235 2.958,1236 2.79,1237 2.739,1238 3.603,1239 2.726,1240 2.662,1241 2.725,1242 2.647,1243 2.575,1244 3.418,1245 2.556,1246 0.211,1247 0.153,1248 0.311,1249 0.192,1250 0.147,1251 4.651,1252 0.208,1253 3.373,1254 0.018,1255 6.833,1256 0.517,1257 4.214,1258 0.144,1259 3.235,1260 4.582,1261 0.4,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.148,1267 2.158,1268 1.435,1269 2.158,1270 1.75,1271 1.71,1272 1.931,1273 1.868,1274 1.199,1275 1.896,1276 1.638,1277 1.561,1278 1.895,1279 1.853,1280 1.126,1281 1.874,1282 1.279,1283 1.227,1284 1.497,1285 1.507,1286 0.757,1287 1.513,1288 1.136,1289 1.061,1290 1.437,1291 1.347,1292 0.623,1293 1.378,1294 1.025,1295 0.916,1296 1.337,1297 1.296,1298 0.493,1299 1.325,1300 0.895,1301 0.829,1302 1.146,1303 1.082,1304 0.218,1305 1.111,1306 0.669,1307 0.619,1308 0.998,1309 0.912,1310 0.155,1311 0.952,1312 3.807,1314 5.106,1316 6.632,1318 8.277,1320 9.989,1323 6.104,1326 5.593,1328 7.268,1329 3.573,1340 24.633,1341 57.684,1342 136.555,1343 172.612,1344 192.877,1345 196.877,1346 196.877,1347 26.16,1348 6.899,1349 50.94,1350 50.94,1351 18,1352 12.319,1353 3.585,1354 2.7,1355 29.683,1356 53,1357 70,1358 0.28,1359 156.147,1360 261.49,1361 372.757,1362 8008,1363 2.5,1364 13.949,1365 0.697,1366 0.617,1367 14.449,1368 12.34,1369 9.792,1370 0.445,1371 0.351,1372 7.324,1373 9.307,1374 7.152,1375 5.907,1376 10.081,1377 7.721,1378 8.446,1379 0.282,1380 0.193,1381 8.854,1382 5.786,1383 7.118,1384 0.174,1385 0.101,1386 7.38,1387 4.143,1388 6.214,1389 0.109,1390 0.054,1391 6.449,1392 3.082,1393 5.4,1394 0.069,1395 0.031,1396 5.631,1397 2.384,1398 0.417,1399 63.144,1400 0.259,1401 19.455,1402 0.841,1403 104,1404 235.494,1405 123.988,1406 265.907,1407 364.62,1408 250,1409 123,1410 252.792,1411 137.588,1412 267.676,1413 396.19,1414 255,1415 7.668}
{0 CHEMBL1917825,1 1.333,2 8.591,3 4.723,4 22.308,5 92.213,6 6.445,7 0.458,8 3.893,9 4.024,10 3.345,11 3.447,12 4.859,13 3.392,14 4.457,15 4.653,16 3.654,17 3.836,18 5.319,19 3.749,20 4.715,21 4.96,22 3.76,23 3.977,24 5.53,25 3.868,26 4.72,27 4.965,28 3.703,29 3.966,30 5.545,31 3.846,32 4.721,33 4.967,34 3.653,35 3.971,36 5.521,37 3.831,38 4.739,39 4.99,40 3.541,41 3.956,42 5.474,43 3.793,44 4.755,45 5.029,46 3.376,47 3.872,48 5.461,49 3.686,50 4.634,51 4.919,52 3.138,53 3.701,54 5.339,55 3.494,56 0.051,57 0.638,58 10.878,59 4.563,60 8.418,61 6.391,62 0.141,63 1.042,64 19.59,65 7.57,66 15.382,67 10.814,68 0.189,69 1.308,70 25.495,71 9.276,72 21.967,73 13.736,74 0.234,75 1.332,76 25.762,77 9.06,78 24.53,79 13.553,80 0.286,81 1.3,82 25.661,83 9.576,84 25.675,85 14.127,86 0.178,87 1.284,88 25.922,89 10.095,90 19.667,91 14.624,92 0.233,93 1.232,94 26.649,95 9.975,96 22.625,97 14.412,98 0.21,99 1.042,100 23.583,101 9.058,102 22.037,103 12.897,104 13,105 32,106 0.231,107 0.583,108 0.782,109 0.864,110 0.879,111 0.879,112 3.148,113 1.022,114 -4.27,115 -4.21,116 -3.97,121 41.3,123 6,126 1,127 1,136 1,137 1,144 3,145 2,146 2,148 2,176 9,180 6,185 3,187 9,192 6,197 3,200 7,206 1,209 1,211 4,214 7,218 1,219 1,222 1,224 3,227 11,232 2,239 11,244 4,251 10,256 3,264 7,269 2,277 5,281 700,282 15.43,283 15.43,284 15.43,285 15.43,286 15.43,287 14.041,288 18.521,289 9.499,290 15.721,291 11.796,292 11.796,293 11.796,294 11.796,295 11.796,296 9.475,297 18.976,298 4.423,299 12.176,300 4.19,301 2.158,302 1.012,303 0.538,304 0.451,305 0.451,306 3.835,311 1,312 1,313 401,314 3,318 128.501,322 145.862,325 1.174,326 11.808,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 46,338 189,339 4.654,340 3.372,341 6.837,342 4.218,343 3.239,344 4.585,345 0.86,346 11.382,347 3.172,348 3.998,349 2.876,350 6.013,351 3.61,352 2.632,353 3.532,354 0.4,355 8.528,356 2.576,357 3.53,358 2.514,359 5.387,360 3.17,361 2.217,362 2.924,364 6.725,365 2.108,366 3.519,367 2.328,368 5.221,369 3.09,370 2.148,371 2.847,373 6.478,374 2.015,375 2.929,376 1.986,377 4.136,378 2.729,379 1.739,380 1.921,382 3.541,383 1.721,384 2.621,385 1.625,386 3.94,387 2.421,388 1.43,389 1.653,391 3.383,392 1.416,393 2.515,394 1.408,395 3.662,396 2.253,397 1.257,398 1.511,400 3.072,401 1.251,402 2.406,403 1.375,404 3.531,405 2.148,406 1.179,407 1.332,409 2.485,410 1.14,411 1.978,412 1.101,413 3.101,414 1.718,415 0.738,416 0.876,418 1.529,419 0.721,420 1.778,421 0.845,422 2.927,423 1.456,424 0.567,425 0.649,427 0.985,428 0.499,429 1.448,430 0.346,431 2.701,432 1.134,433 0.192,434 0.231,436 0.334,437 0.18,438 1.137,439 0.003,440 2.519,441 0.776,442 -0.181,443 -0.224,445 -0.357,446 -0.172,447 0.924,448 -0.269,449 2.244,450 0.564,451 -0.402,452 -0.497,454 -0.93,455 -0.385,456 0.601,457 -0.57,458 2.136,459 0.237,460 -0.749,461 -0.878,463 -1.523,464 -0.737,465 0.394,466 -0.636,467 2,468 0.15,469 -0.836,470 -1.052,472 -2.148,473 -0.817,474 10.633,475 0.483,476 0.342,477 0.016,478 25.5,479 1.159,480 12,481 0.545,482 13.5,483 0.614,484 19.326,485 0.878,486 24.167,487 0.525,488 16.238,489 0.738,490 4.719,491 0.215,492 6.111,493 0.278,494 0.094,496 0.282,501 0.911,502 1.277,503 0.936,504 1.146,505 0.932,506 1.056,507 1.223,508 1.167,509 0.987,510 1.038,511 0.932,512 1.002,513 1.011,514 1.091,515 0.886,516 0.93,517 0.896,518 0.898,519 1.076,520 1.076,521 1.053,522 1.001,523 1.109,524 1.009,525 0.758,526 1.035,527 1.047,528 1.047,529 0.841,530 1.06,531 0.916,532 1.111,533 1.117,534 1.159,535 0.906,536 1.152,537 1.254,538 0.956,539 1.127,540 1.042,541 1.124,542 1.069,543 1.3,544 0.933,545 1.08,546 1.017,547 1.116,548 1.04,549 3,550 0.041,551 2,552 1.25,553 1.431,554 0.583,555 0.442,556 0.236,557 0.156,558 0.102,559 4472,560 8976,561 2.097,562 52.2,563 8,564 11,567 1,568 2,569 2,572 1.652,573 2,574 3.059,575 -0.399,582 61.334,583 1.333,584 3.366,585 4.512,586 4.985,587 5.072,588 5.072,589 2.465,590 4.187,591 4.421,592 3.192,593 737.314,594 7.638,595 7966.79,597 1,600 254.084,601 1.241,602 4.407,603 0.125,604 0.01,605 0.063,606 0.036,607 0.045,608 0.019,609 0.017,610 0.011,611 0.01,612 0.01,613 0.346,614 0.67,615 1,616 1.642,617 99.567,618 0.018,619 -0.08,620 0.061,621 -0.025,622 0.033,623 0.016,624 -0.064,625 -0.075,626 0.018,627 0.003,628 0.026,629 0.013,630 -0.004,631 -0.044,632 0.108,633 0.055,634 0.059,635 0.084,636 -0.042,637 0.008,638 -0.053,639 -0.036,640 -0.113,641 -0.043,642 0.142,643 0.016,644 -0.066,645 -0.06,646 0.027,647 -0.076,648 -0.062,649 -0.105,650 -0.149,651 -0.159,652 -0.097,653 -0.159,654 -0.129,655 -0.005,656 -0.143,657 -0.076,658 -0.146,659 -0.103,660 -0.113,661 -0.042,662 -0.101,663 -0.048,664 -0.059,665 -0.072,666 0.779,667 1.896,668 0.636,669 17.983,670 0.984,671 1.126,672 3.04,673 9.244,674 0.649,675 3.219,676 3.497,677 3.807,678 4.111,679 4.431,680 4.543,681 4.691,682 4.804,683 4.86,684 4.682,685 5.117,686 0.599,687 296.45,688 3.219,689 4.727,690 5.58,691 6.457,692 7.341,693 8.237,694 9.135,695 10.039,696 10.944,697 11.852,698 4.3,703 1,708 1,714 2,715 3,716 1,720 4,722 11,734 1,739 1,741 46,743 12,744 1,745 24,747 48,748 19,749 9,750 3,751 3,756 3,757 6,767 4,770 6,772 11,773 8,777 1,778 1,784 1,793 24,794 3,795 1,796 3,802 2,808 0.333,809 1,822 1,829 3,833 2,848 1,849 1,859 1,864 1,868 22,876 7,877 1,878 1,893 2.2,898 1,901 11,902 8.45,903 5.111,904 3.024,907 2.493,908 1.352,909 0.98,910 4.865,911 9.574,912 3.45,913 4.016,914 4.654,915 5.297,916 5.951,917 6.335,918 6.739,919 7.109,920 7.428,921 7.312,922 0.833,923 35,924 8.144,926 3.338,927 0.026,929 7.432,931 16.22,933 13.367,936 1.932,937 42.5,938 0.001,940 1,941 270.735,942 100.527,943 34.796,945 11,948 100.527,949 281.735,950 34.796,951 10.883,952 33.08,953 37.905,954 34.796,955 29.659,957 270.735,959 270.735,960 135.324,961 11,964 247.193,965 34.542,968 22.214,969 68.837,970 44.273,972 270.735,973 45.796,974 100.527,977 270.735,978 35.972,979 48.788,980 18.011,981 43.552,982 270.735,983 45.796,984 100.527,986 0.554,987 0.331,988 0.189,989 0.114,990 15,991 6,992 0.125,993 6,994 2,995 1.286,996 3.404,997 173.737,998 0.286,999 14,1000 98.107,1005 15.204,1006 7.039,1007 3.237,1008 2.242,1009 45.796,1010 6.164,1011 4.884,1015 4.836,1017 18.011,1018 417.059,1019 30.5,1020 3.794,1026 1.977,1031 45.251,1032 51.773,1034 0.241,1035 0.609,1036 0.817,1037 0.903,1038 0.918,1039 0.918,1040 4.661,1041 1.179,1042 5.533,1043 3.072,1044 4.174,1045 4.7,1046 1.029,1047 6.351,1048 4.116,1049 5.838,1050 0.738,1051 7.084,1052 2.485,1053 3.611,1054 4.559,1056 7.286,1057 3.526,1058 7.141,1059 0.567,1060 8.746,1061 1.529,1062 5.746,1063 6.961,1064 0.763,1065 10.446,1066 5.639,1067 8.491,1068 0.192,1069 10.477,1070 0.985,1071 6.089,1072 7.727,1074 12.261,1075 5.957,1076 9.883,1077 -0.181,1078 12.253,1079 0.334,1080 7.635,1081 9.587,1082 0.597,1083 14.936,1084 7.488,1085 11.304,1086 -0.402,1087 14.061,1088 -0.357,1089 8.42,1090 10.761,1092 17.107,1093 8.252,1094 12.748,1095 -0.749,1096 15.89,1097 -0.93,1098 9.726,1099 12.414,1100 0.47,1101 19.622,1102 9.543,1103 3.239,1104 -0.836,1105 17.737,1106 -1.523,1107 10.723,1108 13.777,1110 21.943,1111 10.52,1112 2.632,1113 11.382,1114 19.595,1115 -2.148,1116 11.936,1117 15.349,1118 0.367,1119 24.403,1120 11.717,1121 2.217,1122 8.528,1123 21.465,1124 4.585,1125 13.029,1126 16.798,1128 26.786,1129 12.791,1130 2.148,1131 6.725,1132 23.342,1133 3.532,1134 14.21,1135 18.338,1136 0.283,1137 29.227,1138 13.954,1139 1.739,1140 6.478,1141 25.226,1142 2.924,1143 15.346,1144 19.827,1146 31.636,1147 15.07,1148 1.43,1149 3.541,1150 27.116,1151 2.847,1152 16.517,1153 21.354,1154 0.217,1155 34.071,1156 16.222,1157 1.257,1158 3.383,1159 29.01,1160 1.921,1161 17.673,1162 22.861,1164 36.492,1165 17.357,1166 4468,1167 6427,1168 16.296,1169 29.841,1170 34.794,1171 35.374,1172 36.248,1173 34.63,1174 34.675,1175 44.123,1176 2.52,1177 96.888,1178 33.598,1179 5.601,1180 5.372,1181 6.772,1182 5.26,1183 5.239,1184 7.585,1185 1.72,1186 18.916,1187 5.172,1188 8.632,1189 1.45,1190 1.474,1191 1.51,1192 1.443,1193 1.445,1194 1.838,1195 0.105,1196 4.037,1197 1.4,1198 4.116,1199 4.144,1200 4.08,1201 4.04,1202 5,1203 4.046,1204 3.745,1205 3.787,1206 3.642,1207 3.652,1208 4.711,1209 3.643,1210 3.704,1211 3.77,1212 3.551,1213 3.582,1214 4.647,1215 3.565,1216 3.407,1217 3.475,1218 3.271,1219 3.237,1220 4.24,1221 3.236,1222 3.294,1223 3.359,1224 3.151,1225 3.086,1226 4.184,1227 3.086,1228 3.126,1229 3.199,1230 2.953,1231 2.976,1232 3.877,1233 2.965,1234 3.078,1235 3.164,1236 2.874,1237 2.873,1238 3.772,1239 2.859,1240 2.881,1241 2.966,1242 2.687,1243 2.726,1244 3.477,1245 2.707,1246 0.194,1247 0.141,1248 0.285,1249 0.176,1250 0.135,1251 4.654,1252 0.191,1253 3.372,1254 0.036,1255 6.837,1256 0.474,1257 4.218,1258 0.132,1259 3.239,1260 4.585,1261 0.86,1262 11.382,1263 3.172,1264 2.069,1265 2.046,1266 2.152,1267 2.163,1268 1.435,1269 2.161,1270 1.752,1271 1.711,1272 1.96,1273 1.882,1274 1.233,1275 1.912,1276 1.717,1277 1.656,1278 1.933,1279 1.878,1280 1.138,1281 1.899,1282 1.384,1283 1.319,1284 1.642,1285 1.602,1286 0.762,1287 1.618,1288 1.25,1289 1.188,1290 1.575,1291 1.523,1292 0.685,1293 1.54,1294 1.148,1295 1.077,1296 1.459,1297 1.341,1298 0.6,1299 1.385,1300 1.09,1301 1.005,1302 1.383,1303 1.307,1304 0.539,1305 1.34,1306 0.892,1307 0.821,1308 1.191,1309 1.117,1310 0.261,1311 1.148,1312 3.892,1314 5.176,1316 6.691,1318 8.326,1320 10.03,1322 1.712,1328 7.837,1329 3.659,1330 5.396,1340 27.552,1341 61.334,1342 154.823,1343 207.555,1344 229.329,1345 233.329,1346 233.329,1347 28.691,1348 7.081,1349 34.15,1350 34.15,1351 18,1352 12.369,1353 3.7,1354 2.907,1355 34.194,1356 63,1357 90,1358 0.262,1359 170.865,1360 293.33,1361 408.671,1362 10198,1364 15.364,1365 0.698,1366 0.606,1367 15.364,1368 13.322,1369 10.83,1370 0.451,1371 0.341,1372 8.098,1373 10.544,1374 7.882,1375 6.581,1376 10.83,1377 8.175,1378 8.969,1379 0.28,1380 0.183,1381 8.969,1382 5.86,1383 7.798,1384 0.177,1385 0.099,1386 7.798,1387 4.356,1388 6.581,1389 0.11,1390 0.053,1391 6.581,1392 3.192,1393 5.792,1394 0.07,1395 0.029,1396 5.792,1397 2.421,1398 0.395,1399 66.958,1400 0.248,1401 21.353,1402 0.769,1403 112,1404 259.714,1405 118.653,1406 254.407,1407 360.23,1408 242,1409 132,1410 272.052,1411 138.988,1412 278.365,1413 408.73,1414 263,1415 5.658}
{0 CHEMBL1917826,1 1.333,2 14.227,3 9.199,4 84.625,5 180.141,6 6.445,7 0.44,8 4.596,9 4.725,10 4.061,11 4.149,12 5.488,13 4.096,14 5.215,15 5.414,16 4.419,17 4.587,18 6.023,19 4.504,20 5.521,21 5.763,22 4.588,23 4.8,24 6.278,25 4.695,26 5.621,27 5.859,28 4.65,29 4.909,30 6.365,31 4.794,32 5.758,33 5.992,34 4.748,35 5.064,36 6.475,37 4.93,38 5.928,39 6.176,40 4.732,41 5.168,42 6.599,43 5,44 6.022,45 6.301,46 4.606,47 5.138,48 6.655,49 4.94,50 5.943,51 6.232,52 4.459,53 5.018,54 6.557,55 4.809,56 0.093,57 1.311,58 22.189,59 9.318,60 13.464,61 13.073,62 0.321,63 2.256,64 42.173,65 15.819,66 29.811,67 22.838,68 0.429,69 2.978,70 57.358,71 20.869,72 41.647,73 30.948,74 0.535,75 3.335,76 63.374,77 23.087,78 43.955,79 34.256,80 0.671,81 3.771,82 72.184,83 28.151,84 46.98,85 41.134,86 0.545,87 4.309,88 85.147,89 34.126,90 48.857,91 49.374,92 0.743,93 4.412,94 94.553,95 36.479,96 63.912,97 52.722,98 0.704,99 3.972,100 87.502,101 33.826,102 60.917,103 48.712,104 9,105 70,106 0.197,107 0.439,108 0.608,109 0.692,110 0.704,111 0.704,112 3.81,113 1.033,114 -5.89,115 -5.74,116 -5.35,121 41.3,123 14,126 2,127 4,144 6,145 4,146 4,148 4,176 16,180 20,187 16,192 20,200 12,205 2,206 12,214 20,218 4,219 6,227 34,231 1,232 6,239 39,244 12,251 30,256 14,264 20,269 8,277 8,281 3072,282 31.015,283 31.015,284 31.015,285 31.015,286 31.015,287 28.545,288 35.737,289 18.522,290 31.683,291 24.661,292 24.661,293 24.661,294 24.661,295 24.661,296 20.512,297 36.333,298 8.698,299 25.583,300 5.19,301 3.551,302 2.407,303 1.842,304 1.756,305 1.756,306 4.54,313 1414,314 3,318 568.481,322 643.543,324 192.534,325 2.186,326 22.06,329 0.5,330 0.5,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.8,337 92,338 626,339 4.688,340 3.465,341 6.999,342 4.276,343 3.303,344 4.602,345 0.86,346 11.98,347 3.215,348 4.688,349 3.463,350 6.999,351 4.275,352 3.301,353 4.602,354 0.86,355 11.98,356 3.215,357 4.01,358 2.877,359 6.014,360 3.616,361 2.641,362 3.545,363 0.8,364 8.535,365 2.578,366 4.009,367 2.877,368 6.014,369 3.615,370 2.64,371 3.545,372 0.8,373 8.535,374 2.578,375 3.705,376 2.798,377 5.785,378 3.463,379 2.52,380 3.016,382 7.907,383 2.37,384 3.693,385 2.782,386 5.783,387 3.432,388 2.493,389 3.012,391 7.9,392 2.336,393 3.528,394 2.437,395 5.221,396 3.114,397 2.174,398 2.874,400 6.478,401 2.034,402 3.528,403 2.434,404 5.221,405 3.113,406 2.172,407 2.874,409 6.478,410 2.031,411 3.102,412 2.04,413 4.873,414 2.863,415 1.887,416 2.191,418 5.283,419 1.841,420 3.013,421 1.991,422 4.858,423 2.734,424 1.771,425 2.101,427 5.218,428 1.724,429 2.732,430 1.753,431 4.136,432 2.728,433 1.732,434 1.732,436 3.531,437 1.702,438 2.598,439 1.554,440 4.136,441 2.425,442 1.435,443 1.628,445 3.384,446 1.419,447 2.573,448 1.473,449 3.802,450 2.414,451 1.421,452 1.594,454 3.384,455 1.41,456 2.507,457 1.405,458 3.772,459 2.293,460 1.315,461 1.507,463 3.128,464 1.283,465 2.49,466 1.401,467 3.698,468 2.253,469 1.256,470 1.489,472 3.046,473 1.251,474 21.267,475 0.483,476 0.787,477 0.018,478 50.5,479 1.148,480 22,481 0.5,482 28.5,483 0.648,484 57.39,485 1.304,486 48.333,487 0.525,488 38.436,489 0.874,490 8.547,491 0.194,492 13.182,493 0.3,494 0.047,496 0.32,501 0.865,502 1.372,503 0.913,504 1.187,505 0.735,506 1.075,507 1.288,508 1.149,509 0.989,510 0.996,511 0.908,512 0.97,513 1.015,514 1.074,515 0.896,516 0.915,517 0.845,518 0.891,519 0.988,520 1.043,521 1.027,522 0.979,523 0.985,524 0.99,525 0.68,526 1.064,527 1.049,528 1.073,529 0.712,530 1.083,531 0.726,532 1.138,533 1.133,534 1.208,535 0.836,536 1.202,537 1.039,538 1.004,539 1.102,540 1.08,541 1.124,542 1.097,543 1.067,544 0.988,545 1.051,546 1.044,547 1.122,548 1.054,549 6,550 0.198,551 4,552 3,553 3.422,554 1.569,555 1.247,556 0.694,557 0.392,558 0.264,559 34874,560 66656,561 2.205,562 52.2,563 16,564 20,568 4,569 8,572 1.824,573 2.129,574 3.705,575 -0.859,582 122.668,583 1.333,584 2.972,585 4.116,586 4.681,587 4.768,588 4.768,589 3.079,590 3.664,591 5.436,592 3.941,593 3728.09,594 9.632,595 67348.7,600 600.168,601 1.143,602 5.418,603 0.12,604 0.005,605 0.057,606 0.037,607 0.04,608 0.017,609 0.014,610 0.009,611 0.006,612 0.005,613 0.31,614 0.33,615 0.63,616 0.529,617 252.791,618 0.058,619 -0.159,620 0.093,621 -0.05,622 0.168,623 0.012,624 -0.081,625 -0.028,626 0.034,627 0.042,628 0.114,629 0.046,630 -0.019,631 0.001,632 0.108,633 0.083,634 0.113,635 0.103,636 -0.047,637 0.062,638 -0.024,639 0.017,640 -0.077,641 0.003,642 0.084,643 0.016,644 -0.067,645 -0.046,646 0.013,647 -0.065,648 -0.033,649 -0.108,650 -0.166,651 -0.181,652 -0.084,653 -0.182,654 -0.085,655 -0.051,656 -0.123,657 -0.092,658 -0.144,659 -0.107,660 -0.066,661 -0.071,662 -0.073,663 -0.061,664 -0.12,665 -0.069,666 0.741,667 2.179,668 0.909,669 48.926,670 0.984,671 1.126,672 4.656,673 21.678,674 0.649,675 3.932,676 4.263,677 4.615,678 4.963,679 5.313,680 5.476,681 5.666,682 5.826,683 5.943,684 5.948,685 8.55,686 0.599,687 592.9,688 3.932,689 5.485,690 6.365,691 7.265,692 8.169,693 9.081,694 9.995,695 10.913,696 11.831,697 12.751,698 4.3,704 2,708 2,714 4,715 6,716 2,720 8,722 22,736 2,739 2,741 92,743 22,744 2,745 50,747 98,748 38,749 18,750 6,751 6,756 7,757 13,767 14,770 14,772 18,773 20,793 48,794 6,796 6,802 4,808 0.429,809 2,822 2,829 6,833 4,835 1,859 3,864 2,868 44,876 18,878 2,881 2,893 2.2,898 2,901 20.667,902 17.133,903 9.778,904 6.506,907 4.683,908 1.475,909 1.011,910 9.231,911 14.54,912 4.127,913 4.736,914 5.398,915 6.061,916 6.727,917 7.131,918 7.555,919 7.939,920 8.263,921 8.247,922 1,923 82,924 16.399,926 6.976,927 0.026,929 7.318,931 33.287,933 28.823,936 1.818,937 80,941 565.013,942 159.849,943 39.82,945 22,948 159.849,949 587.013,950 39.82,951 21.766,952 43.906,953 56.857,954 33.571,955 65.568,957 565.013,959 565.013,960 199.669,961 22,964 470.844,965 116.169,968 53.708,969 112.39,970 33.571,972 565.013,973 61.819,974 159.849,977 565.013,978 81.225,979 84.872,981 55.571,982 565.013,983 61.819,984 159.849,986 0.571,987 0.349,988 0.207,989 0.128,990 35,991 14,992 0.041,993 4,994 4,995 1.2,996 5.09,997 498.463,998 0.2,999 40,1000 188.215,1005 29.807,1006 13.627,1007 6.184,1008 4.779,1009 61.819,1010 12.916,1011 10.299,1015 10.408,1018 786.681,1019 61,1031 90.501,1032 103.546,1034 0.204,1035 0.456,1036 0.631,1037 0.718,1038 0.731,1039 0.731,1040 5.387,1041 2.172,1042 6.337,1043 6.478,1044 4.949,1045 5.425,1046 1.771,1047 7.189,1048 4.881,1049 6.573,1050 1.887,1051 7.909,1052 6.478,1053 4.443,1054 5.308,1055 0.57,1056 8.172,1057 4.327,1058 7.889,1059 1.771,1060 9.587,1061 5.283,1062 6.564,1063 7.687,1064 1.413,1065 11.351,1066 6.433,1067 9.248,1068 1.732,1069 11.333,1070 5.218,1071 6.948,1072 8.464,1073 0.479,1074 13.221,1075 6.773,1076 10.647,1077 1.435,1078 13.124,1079 3.531,1080 8.483,1081 10.312,1082 1.15,1083 15.922,1084 8.297,1085 12.073,1086 1.421,1087 14.945,1088 3.384,1089 9.296,1090 11.492,1091 0.346,1092 18.156,1093 9.075,1094 13.522,1095 1.315,1096 16.79,1097 3.384,1098 10.602,1099 13.141,1100 0.93,1101 20.706,1102 10.366,1103 3.303,1104 1.256,1105 18.652,1106 3.128,1107 11.62,1108 14.509,1109 0.237,1110 23.089,1111 11.355,1112 3.301,1113 11.98,1114 20.528,1115 3.046,1116 12.84,1117 16.08,1118 0.742,1119 25.591,1120 12.557,1121 2.641,1122 11.98,1123 22.416,1124 4.602,1125 13.952,1126 17.534,1127 0.158,1128 28.035,1129 13.642,1130 2.64,1131 8.535,1132 24.312,1133 4.602,1134 15.145,1135 19.075,1136 0.583,1137 30.522,1138 14.814,1139 2.52,1140 8.535,1141 26.216,1142 3.545,1143 16.3,1144 20.567,1145 0.104,1146 32.989,1147 15.942,1148 2.493,1149 7.907,1150 28.127,1151 3.545,1152 17.487,1153 22.098,1154 0.452,1155 35.473,1156 17.106,1157 2.174,1158 7.9,1159 30.043,1160 3.016,1161 18.661,1162 23.608,1163 0.068,1164 37.949,1165 18.254,1166 31534,1167 43774,1168 34.789,1169 59.683,1170 73.777,1171 74.907,1172 76.53,1173 73.939,1174 73.959,1175 91.38,1176 6.64,1177 214.954,1178 71.385,1179 5.688,1180 5.465,1181 6.801,1182 5.318,1183 5.303,1184 7.602,1185 1.72,1186 19.514,1187 5.215,1188 13.621,1189 1.476,1190 1.498,1191 1.531,1192 1.479,1193 1.479,1194 1.828,1195 0.133,1196 4.299,1197 1.428,1198 4.154,1199 4.185,1200 4.113,1201 4.072,1202 5.015,1203 4.078,1204 4.094,1205 4.121,1206 4.062,1207 4.021,1208 4.974,1209 4.028,1210 3.796,1211 3.859,1212 3.672,1213 3.667,1214 4.645,1215 3.66,1216 3.743,1217 3.785,1218 3.642,1219 3.651,1220 4.644,1221 3.642,1222 3.741,1223 3.785,1224 3.62,1225 3.636,1226 4.309,1227 3.624,1228 3.628,1229 3.699,1230 3.447,1231 3.503,1232 4.21,1233 3.48,1234 3.567,1235 3.643,1236 3.438,1237 3.378,1238 4.201,1239 3.382,1240 3.354,1241 3.404,1242 3.226,1243 3.177,1244 4.141,1245 3.179,1246 0.094,1247 0.069,1248 0.14,1249 0.086,1250 0.066,1251 4.688,1252 0.092,1253 3.465,1254 0.017,1255 6.999,1256 0.24,1257 4.276,1258 0.064,1259 3.303,1260 4.602,1261 0.86,1262 11.98,1263 3.215,1264 2.076,1265 2.052,1266 2.161,1267 2.173,1268 1.46,1269 2.17,1270 2.071,1271 2.048,1272 2.151,1273 2.164,1274 1.441,1275 2.161,1276 1.788,1277 1.728,1278 2.021,1279 1.961,1280 1.372,1281 1.984,1282 1.752,1283 1.711,1284 1.937,1285 1.88,1286 1.288,1287 1.902,1288 1.752,1289 1.708,1290 1.933,1291 1.88,1292 1.184,1293 1.901,1294 1.66,1295 1.594,1296 1.931,1297 1.826,1298 1.141,1299 1.866,1300 1.537,1301 1.465,1302 1.773,1303 1.759,1304 1.048,1305 1.768,1306 1.296,1307 1.247,1308 1.582,1309 1.552,1310 0.825,1311 1.56,1312 4.615,1314 5.943,1316 7.485,1318 9.137,1320 10.854,1322 3.542,1328 21.24,1330 11.359,1333 5.456,1340 55.105,1341 122.668,1342 273.452,1343 378.71,1344 430.658,1345 438.658,1346 438.658,1347 62.765,1348 9.856,1349 50.72,1350 50.72,1351 48,1352 13.26,1353 4.524,1354 3.585,1355 60.207,1356 248,1357 188,1358 0.125,1359 329.421,1360 571.02,1361 795.548,1362 370258,1364 29.882,1365 0.679,1366 0.609,1367 29.882,1368 26.797,1369 21.729,1370 0.435,1371 0.344,1372 17.051,1373 21.096,1374 16.651,1375 13.759,1376 21.729,1377 17.222,1378 18.862,1379 0.269,1380 0.186,1381 18.862,1382 13.047,1383 16.981,1384 0.17,1385 0.102,1386 16.981,1387 10.222,1388 14.908,1389 0.105,1390 0.056,1391 14.908,1392 7.968,1393 13.544,1394 0.067,1395 0.031,1396 13.544,1397 6.36,1398 0.198,1399 134.571,1400 0.17,1401 38.291,1402 0.342,1403 240,1404 530.052,1405 254.694,1406 514.185,1407 740,1408 492,1409 290,1410 570.359,1411 306.306,1412 580.301,1413 863.68,1414 550,1415 5.337}
{0 CHEMBL191796,1 1.746,2 8.727,3 2.909,4 8.461,5 76.722,6 10.008,7 0.522,8 3.546,9 3.608,10 3.328,11 3.106,12 5.037,13 3.145,14 3.967,15 4.027,16 3.669,17 3.454,18 5.702,19 3.496,20 4.216,21 4.328,22 3.766,23 3.533,24 5.872,25 3.581,26 4.285,27 4.404,28 3.682,29 3.385,30 5.931,31 3.473,32 4.077,33 4.158,34 3.613,35 3.208,36 5.834,37 3.337,38 3.965,39 4.025,40 3.51,41 3.106,42 6.043,43 3.203,44 3.812,45 3.922,46 3.315,47 3.016,48 5.808,49 3.058,50 3.676,51 3.837,52 3.08,53 2.847,54 5.18,55 2.89,56 0.263,57 0.416,58 2.358,59 2.377,60 40.555,61 2.123,62 0.477,63 0.6,64 3.884,65 3.946,66 108.221,67 3.387,68 0.624,69 0.754,70 7.794,71 4.948,72 117.111,73 4.621,74 0.909,75 0.722,76 11.932,77 5.115,78 191.11,79 4.008,80 0.754,81 0.578,82 8.245,83 3.817,84 155.999,85 2.343,86 0.823,87 0.503,88 6.705,89 3.443,90 184.444,91 2.338,92 0.623,93 0.466,94 6.514,95 3.253,96 143.222,97 3.279,98 0.358,99 0.446,100 5.741,101 2.694,102 57.556,103 2.789,104 41,105 32,106 0.322,107 0.499,108 0.597,109 0.695,110 0.695,111 0.695,112 3.146,113 0.78,114 -4.14,115 -4.09,116 -3.87,121 46.7,144 8,145 2,146 2,159 2,168 4,176 8,179 2,180 6,187 8,191 1,192 18,200 5,206 16,214 4,218 2,219 8,227 6,231 6,232 4,239 6,243 4,244 8,251 5,256 10,264 2,268 1,269 6,277 1,281 624,282 14.19,283 14.19,284 14.19,285 14.19,286 14.19,287 12.014,288 11.654,289 8.226,290 14.255,291 11.271,292 11.271,293 11.271,294 11.271,295 11.271,296 7.921,297 10.876,298 3.828,299 11.316,300 3.16,301 2.2,302 1.667,303 1.133,304 1.133,305 1.133,306 3.799,310 1,311 1,312 1,313 390,314 3.742,318 156.532,325 1.388,326 49.593,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 51,338 192,339 4.444,340 3.85,341 6.546,342 4.102,343 3.077,344 4.088,345 2.612,346 10.129,347 3.156,348 4.279,349 3.78,350 6.024,351 3.793,352 2.813,353 3.983,354 2.612,355 8.612,356 2.757,357 4.118,358 3.763,359 5.901,360 3.623,361 2.641,362 3.639,364 8.078,365 2.583,366 3.747,367 2.983,368 5.562,369 3.264,370 2.268,371 3.216,373 6.992,374 2.253,375 3.289,376 2.299,377 4.539,378 2.687,379 1.673,380 2.592,382 4.274,383 1.691,384 2.983,385 2.249,386 3.852,387 2.384,388 1.377,389 2.128,391 3.104,392 1.385,393 2.677,394 1.595,395 3.699,396 2.103,397 1.085,398 1.667,400 2.687,401 1.101,402 2.592,403 1.593,404 3.439,405 2,406 1,407 1.587,409 2.324,410 1,411 2.561,412 1.149,413 3.435,414 2,415 1,416 1.562,418 2.322,419 1,420 2.208,421 1.148,422 3.166,423 1.542,424 0.427,425 0.713,427 1.003,428 0.471,429 1,430 1,431 2.311,432 0.343,433 -0.663,434 -0.941,436 -1.567,437 -0.661,438 1,439 1,440 2,441 0.34,442 -0.675,443 -0.991,445 -1.577,446 -0.679,447 0.818,448 -0.124,449 2,450 0.167,451 -0.837,452 -1.193,454 -2,455 -0.839,456 0.816,457 -0.428,458 1.784,459 0.167,460 -0.84,461 -1.238,463 -2,464 -0.85,465 0.648,466 -0.485,467 1.556,469 -1,470 -2,472 -2.358,473 -1,474 9.8,475 0.445,476 0.689,477 0.031,478 34.5,479 1.568,480 21,481 0.955,482 13.5,483 0.614,484 10.88,485 0.495,486 23.2,487 0.773,488 27.287,489 1.24,490 7.138,491 0.324,492 3.259,493 0.148,494 0.204,496 0.388,501 0.31,502 0.796,503 0.503,504 0.776,505 0.534,506 0.783,507 0.501,508 1.129,509 0.66,510 1.12,511 0.499,512 1.045,513 0.712,514 1.168,515 0.82,516 1.207,517 0.608,518 1.117,519 1.388,520 1.018,521 1.191,522 1.007,523 1.347,524 0.989,525 1.526,526 0.908,527 1.156,528 0.918,529 1.57,530 0.852,531 1.068,532 0.86,533 1.164,534 0.911,535 1.162,536 1.043,537 0.52,538 1.097,539 0.847,540 1.056,541 0.491,542 1.123,543 0.785,544 1.347,545 0.962,546 1.281,547 0.597,548 1.22,549 5,550 0.115,551 3.111,552 1.75,553 1.244,554 0.944,555 0.408,556 0.267,557 0.148,558 0.129,559 4347,560 20979,561 1.919,562 26.7,564 8,572 1.647,573 1.737,574 3.174,575 -0.627,577 1,579 1,582 52.394,583 1.746,584 2.707,585 3.24,586 3.774,587 3.774,588 3.774,589 2.55,590 2.914,591 4.433,592 3.288,593 759.428,594 7.624,595 8332.5,596 1,597 1,598 1,599 1,600 147.207,601 1.573,602 4.349,603 0.217,604 0.014,605 0.097,606 0.051,607 0.041,608 0.034,609 0.017,610 0.013,611 0.009,612 0.011,613 0.506,614 0.33,615 1,616 1.028,617 100.766,618 0.276,619 0.319,620 0.053,621 0.181,622 0.001,623 0.031,624 0.174,625 -0.128,626 -0.011,627 -0.122,628 0.167,629 -0.16,630 0.023,631 -0.178,632 0.059,633 -0.223,634 0.101,635 -0.111,636 -0.356,637 -0.107,638 -0.109,639 -0.02,640 -0.297,641 0.05,642 -0.396,643 0.039,644 -0.203,645 0.032,646 -0.406,647 0.034,648 0.11,649 0.069,650 -0.235,651 0.047,652 0.052,653 -0.181,654 0.392,655 -0.162,656 0.173,657 -0.061,658 0.411,659 -0.076,660 -0.059,661 -0.326,662 0.094,663 -0.328,664 0.065,665 -0.122,666 2.686,667 5.059,668 0.545,669 16.033,670 1.061,671 1.117,672 2.914,673 8.489,674 0.701,675 3.178,676 3.497,677 3.714,678 3.85,679 4.043,680 4.007,681 4.043,682 3.892,683 3.829,684 3.807,685 5.41,686 0.73,687 300.24,688 3.178,689 4.71,690 5.541,691 6.402,692 7.255,693 8.117,694 8.976,695 9.839,696 10.701,697 11.564,698 6.7,709 2,715 8,720 4,722 12,727 2,735 2,741 30,743 18,744 2,745 23,747 31,748 14,749 12,750 4,751 8,752 2,756 2,757 2,772 14,777 6,779 2,782 6,786 2,789 1,790 1,793 8,794 6,796 8,802 2,808 1,809 6,829 2,859 2,868 22,893 20,896 2,899 4,901 12.667,902 5.567,903 4.889,904 1.615,907 2.558,908 1.401,909 0.929,910 4.28,911 8.932,912 3.584,913 4.19,914 4.705,915 5.16,916 5.686,917 5.854,918 6.16,919 6.086,920 6.209,921 6.475,922 0.833,923 34,924 8.162,926 3.654,927 0.026,929 8.773,931 13.986,933 10.932,936 3.273,937 72,941 94.169,942 97.962,943 11.34,945 151.784,948 97.962,949 245.952,950 11.34,951 11.34,953 75.81,954 60.557,955 11.885,957 94.169,958 101.494,959 94.169,960 109.302,961 151.784,964 94.169,965 50.29,966 101.494,969 97.962,970 11.34,972 94.169,973 163.124,974 97.962,977 94.169,978 22.152,979 87.15,981 151.784,982 94.169,983 163.124,984 97.962,986 0.589,987 0.344,988 0.162,989 0.089,990 14,991 8,992 0.161,993 5,995 1,996 3.265,997 164.091,999 12,1000 72.107,1005 15.326,1006 6.144,1007 3.35,1009 151.784,1010 9.45,1015 -0.938,1018 355.254,1019 35,1021 -1.372,1024 66.796,1028 -1.937,1031 31.818,1032 33.499,1034 0.356,1035 0.552,1036 0.66,1037 0.769,1038 0.769,1039 0.769,1040 4.796,1041 1,1042 5.549,1043 2.687,1044 4.174,1045 4.875,1046 3.153,1047 6.351,1048 4.174,1049 6.037,1050 1,1051 7.124,1052 2.324,1053 3.892,1054 4.844,1055 3.006,1056 7.273,1057 3.892,1058 7.362,1059 0.427,1060 8.799,1061 2.322,1062 5.771,1063 7.101,1064 4.84,1065 10.325,1066 5.771,1067 8.722,1068 -0.663,1069 10.528,1070 1.003,1071 6.256,1072 7.829,1073 5.194,1074 12.003,1075 6.271,1076 10.108,1077 -0.675,1078 12.29,1079 -1.567,1080 7.658,1081 9.595,1082 6.64,1083 14.587,1084 7.673,1085 11.513,1086 -0.837,1087 14.073,1088 -1.577,1089 8.468,1090 10.65,1091 7.248,1092 16.576,1093 8.509,1094 12.932,1095 -0.84,1096 15.87,1097 -2,1098 9.683,1099 12.219,1100 8.487,1101 18.988,1102 9.731,1103 3.077,1104 -1,1105 17.678,1106 -2,1107 10.643,1108 13.429,1109 9.241,1110 21.125,1111 10.72,1112 2.813,1113 10.129,1114 19.493,1115 -2.358,1116 11.782,1117 14.909,1118 10.363,1119 23.469,1120 11.875,1121 2.641,1122 8.612,1123 21.315,1124 4.088,1125 12.812,1126 16.199,1127 11.202,1128 25.683,1129 12.935,1130 2.268,1131 8.078,1132 23.142,1133 3.983,1134 13.922,1135 17.635,1136 12.256,1137 28,1138 14.068,1139 1.673,1140 6.992,1141 24.973,1142 3.639,1143 14.987,1144 18.969,1145 13.145,1146 30.256,1147 15.165,1148 1.377,1149 4.274,1150 26.808,1151 3.216,1152 16.088,1153 20.383,1154 14.161,1155 32.564,1156 16.293,1157 1.085,1158 3.104,1159 28.646,1160 2.592,1161 17.171,1162 21.742,1163 15.079,1164 34.843,1165 17.408,1166 4497,1167 9990,1168 14.334,1169 21.023,1170 35.365,1171 38.63,1172 36.67,1173 34.822,1174 34.719,1175 50.353,1176 10.45,1177 99.049,1178 34.795,1179 5.273,1180 5.85,1181 6.09,1182 5.102,1183 5.077,1184 7.088,1185 4.612,1186 17.33,1187 5.156,1188 14.059,1189 1.538,1190 1.68,1191 1.594,1192 1.514,1193 1.51,1194 2.189,1195 0.454,1196 4.306,1197 1.513,1198 4.04,1199 4.058,1200 4.008,1201 3.93,1202 7.818,1203 3.94,1204 3.953,1205 3.977,1206 3.919,1207 3.826,1208 7.812,1209 3.835,1210 3.608,1211 3.609,1212 3.606,1213 3.283,1214 7.496,1215 3.347,1216 3.469,1217 3.488,1218 3.438,1219 3.036,1220 7.352,1221 3.136,1222 3.273,1223 3.283,1224 3.218,1225 2.96,1226 6.999,1227 3.028,1228 2.872,1229 2.913,1230 2.773,1231 2.748,1232 6.999,1233 2.742,1234 2.671,1235 2.724,1236 2.533,1237 2.429,1238 4.676,1239 2.468,1240 2.608,1241 2.657,1242 2.484,1243 2.328,1244 4.643,1245 2.385,1246 0.193,1247 0.167,1248 0.285,1249 0.178,1250 0.134,1251 4.444,1252 0.178,1253 3.85,1254 0.114,1255 6.546,1256 0.44,1257 4.102,1258 0.137,1259 3.077,1260 4.088,1261 2.612,1262 10.129,1263 3.156,1264 1.962,1265 1.945,1266 2.042,1267 2.107,1268 1.125,1269 2.074,1270 1.892,1271 1.867,1272 1.986,1273 2.064,1274 1.066,1275 2.021,1276 1.367,1277 1.366,1278 1.404,1279 1.749,1280 0.376,1281 1.63,1282 1.188,1283 1.162,1284 1.274,1285 1.635,1286 0.213,1287 1.534,1288 1.107,1289 1.077,1290 1.255,1291 1.409,1292 0.213,1293 1.365,1294 0.864,1295 0.82,1296 1.096,1297 1.033,1298 0.161,1299 1.055,1300 0.593,1301 0.553,1302 0.809,1303 0.878,1305 0.888,1306 0.515,1307 0.47,1308 0.765,1309 0.815,1311 0.827,1312 3.85,1314 5.165,1316 6.673,1318 8.261,1320 9.89,1340 21.912,1341 52.394,1342 81.207,1343 97.207,1344 113.207,1345 113.207,1346 113.207,1347 75.581,1348 6.373,1349 125.78,1350 125.78,1351 12,1352 12.112,1353 4.248,1354 3.7,1355 42.147,1356 71,1357 60,1358 0.297,1359 138.568,1360 252.58,1361 329.867,1362 4063,1364 16.276,1365 0.74,1366 0.498,1367 16.276,1368 10.963,1369 10.397,1370 0.452,1371 0.26,1372 5.863,1373 9.773,1374 5.791,1375 4.8,1376 10.397,1377 5.978,1378 9.58,1379 0.299,1380 0.134,1381 9.58,1382 4.273,1383 7.713,1384 0.193,1385 0.071,1386 7.713,1387 2.845,1388 5.558,1389 0.121,1390 0.039,1391 5.558,1392 1.784,1393 4.412,1394 0.079,1395 0.02,1396 4.412,1397 1.146,1398 0.457,1399 67.333,1400 0.264,1401 21.518,1402 0.838,1403 110,1404 511.703,1405 126.561,1406 480.704,1407 607.94,1408 434,1409 127,1410 426.003,1411 143.4,1412 417.688,1413 595.98,1414 388,1415 4}
{0 CHEMBL191800,1 1.291,2 4.091,3 1.375,4 1.89,5 42.591,6 6.169,8 3.252,9 3.378,10 2.628,11 2.787,12 4.257,13 2.716,14 3.869,15 4.078,16 3.049,17 3.22,18 4.774,19 3.131,20 4.22,21 4.411,22 3.114,23 3.417,24 5.432,25 3.28,26 4.435,27 4.759,28 2.77,29 3.235,30 5.381,31 3.028,32 3.832,33 4.076,34 1.93,35 2.619,36 5.053,37 2.408,38 3.394,39 3.801,40 0.611,41 1.708,42 4.205,43 1.334,56 0.009,57 0.318,58 5.85,59 2.744,60 3.942,61 3.672,62 0.045,63 0.53,64 10.875,65 4.587,66 15.223,67 6.346,68 0.202,69 0.697,70 15.959,71 5.999,72 57.448,73 8.415,74 0.273,75 0.672,76 19.144,77 5.835,78 64.885,79 8.818,80 0.223,81 0.356,82 10.945,83 2.986,84 52.277,85 4.371,86 0.168,87 0.168,88 6.538,89 1.47,90 35.045,91 2.45,104 26,105 17,106 0.271,107 0.455,108 0.669,109 0.756,110 0.756,111 0.756,112 2.527,113 1.089,114 -2.3,115 -2.33,116 -2.3,121 36,122 3,123 2,124 1,125 1,158 2,176 6,180 2,187 8,191 1,192 5,200 4,206 5,214 3,219 2,281 49,282 6.431,283 6.431,284 6.431,285 6.431,286 6.431,287 6.209,288 7.757,289 3.503,290 6.377,291 5.373,292 5.373,293 5.373,294 5.373,295 5.373,296 4.893,297 6.882,298 1.64,299 5.255,300 3.353,301 2.482,302 1.461,303 1.051,304 1.051,305 1.051,306 3.091,312 1,313 85,314 2.121,318 33.733,325 0.496,326 16.41,329 1,330 0.67,331 0.83,332 1,333 1,334 1,335 1,336 0.93,337 24,338 45,339 4.378,340 3.969,341 6.828,342 4.31,343 3.301,344 3.555,345 1.277,346 11.334,347 3.333,348 3.87,349 3.144,350 6.106,351 3.694,352 2.656,353 2.98,354 1.277,355 8.524,356 2.747,357 3.104,358 2.969,359 4.956,360 2.914,361 1.879,362 2.124,364 5.321,365 1.938,366 2.128,367 1.791,368 3.272,369 1.664,370 0.561,371 0.765,373 1.333,374 0.612,375 0.908,376 0.627,377 3.209,378 0.691,379 -0.347,380 -0.374,382 -0.981,383 -0.357,384 0.524,385 -0.279,386 2.288,387 0.464,388 -0.571,389 -0.653,391 -1.511,392 -0.593,393 0.14,394 -0.556,395 2,397 -1,398 -1,400 -3,401 -1,403 -1,404 1.662,405 -0.19,406 -1.289,407 -1.533,409 -3.306,410 -1.401,411 -0.431,412 -1.154,413 1.335,414 -0.503,415 -1.532,416 -1.864,418 -5.031,419 -1.59,420 -0.622,421 -1.51,422 1.173,423 -0.644,424 -1.657,425 -2,426 -1.277,427 -5.374,428 -1.688,429 -1,430 -1.842,431 1.172,432 -1,433 -2,434 -2,435 -1.277,436 -7.308,437 -2,474 5.167,475 0.47,476 0.578,477 0.053,478 9,479 0.818,480 3,481 0.273,482 6,483 0.545,484 10.564,485 0.96,486 13.433,487 0.537,488 4.66,489 0.424,490 1.27,491 0.115,492 3.652,493 0.332,494 0.419,495 0.097,496 0.29,501 0.482,502 1.333,503 0.949,504 1.33,505 0.519,506 1.233,507 0.476,508 1.042,509 0.711,510 1.029,511 0.489,512 0.925,513 0.777,514 1.523,515 1.247,516 1.529,517 0.801,518 1.476,519 0.969,520 0.727,521 0.784,522 0.721,523 0.953,524 0.721,525 2.016,526 1.183,527 1.652,528 1.2,529 1.983,530 1.343,531 1.368,533 0.618,534 0.006,535 1.356,536 0.162,549 4.5,551 2,552 1.438,553 0.716,559 465,560 1227,561 1.736,562 56,563 11,568 3,572 1.435,573 1.517,574 2.135,575 -0.79,582 32.264,583 1.291,584 2.162,585 3.183,586 3.593,587 3.593,588 3.593,589 1.435,590 1.868,591 3.438,592 2.12,593 116.612,594 5.64,595 789.557,600 116.096,601 1.79,602 3.266,603 0.409,605 0.118,606 0.096,607 0.072,613 0.694,614 1,615 1,616 0.832,617 35.445,622 -0.024,624 0.064,625 0.109,626 0.217,627 0.128,628 0.055,629 0.19,630 0.099,631 -0.416,632 -0.28,633 -0.428,634 0.081,635 -0.42,636 -0.023,637 0.087,638 0.148,639 0.103,640 -0.018,641 0.148,642 -0.375,643 -0.323,644 -0.601,645 -0.361,646 -0.327,647 -0.5,648 -0.126,649 0.562,650 0.319,651 0.569,652 -0.136,653 0.526,666 1.853,667 4.071,668 0.545,669 4.314,670 0.994,671 1.133,672 1.066,673 1.136,674 0.61,675 2.485,676 2.89,677 2.944,678 3.091,679 3.045,680 2.773,681 1.099,685 2.777,686 0.565,687 154.23,688 2.485,689 4.043,690 4.844,691 5.753,692 6.572,693 7.478,694 8.304,695 9.207,696 10.035,697 10.937,741 25,743 2,745 11,747 25,748 9,752 2,756 1,757 1,763 3,764 1,766 1,767 2,768 1,770 2,772 2,773 7,774 1,777 2,782 2,786 2,793 14,794 2,796 2,808 1,809 2,829 1,841 2,859 1,864 3,868 11,876 2,880 1,882 1,893 8,896 2,901 7.25,902 5.417,903 2.306,904 1.604,907 0.296,908 1.062,909 0.84,910 1.873,911 5.05,912 2.639,913 3.091,914 3.296,915 3.367,916 3.367,917 3.135,918 1.946,922 0.667,923 15,924 4.118,925 -0.011,926 1.747,927 -0.014,929 8.129,931 7.82,932 -0.004,933 6.534,934 -0.007,935 0.001,936 2.629,937 28.917,938 0.016,941 164.795,942 41.812,945 50.29,948 41.812,949 215.085,951 26.476,952 5.069,954 60.557,957 164.795,959 164.795,960 41.812,961 50.29,964 164.795,965 50.29,968 31.545,969 10.267,972 164.795,973 50.29,974 41.812,977 164.795,978 15.336,979 26.476,981 50.29,982 164.795,983 50.29,984 41.812,986 0.621,987 0.331,988 0.152,989 0.067,990 9,991 5,995 1,996 2.058,997 59.172,999 6,1000 36.054,1005 8.447,1006 2.439,1007 1.678,1009 50.29,1018 256.897,1019 13,1024 22.134,1028 -0.363,1031 24.84,1032 28.325,1034 0.278,1035 0.465,1036 0.685,1037 0.774,1038 0.774,1039 0.774,1040 3.951,1041 -1.289,1042 4.99,1043 -3,1044 3.555,1045 3.761,1046 2.019,1047 5.894,1048 3.6,1049 5.204,1050 -1.532,1051 6.642,1052 -3.306,1053 3.761,1054 4.007,1056 7.306,1057 3.816,1058 6.562,1059 -1.657,1060 8.4,1061 -5.031,1062 5.371,1063 5.74,1064 2.456,1065 10.208,1066 5.442,1067 7.941,1068 -2,1069 10.209,1070 -5.374,1071 6.196,1072 6.621,1074 12.241,1075 6.279,1076 9.341,1078 12.047,1079 -7.308,1080 7.492,1081 8.005,1082 2.912,1083 14.817,1084 7.583,1085 10.754,1087 13.902,1089 8.536,1090 9.116,1092 17.077,1093 8.638,1094 12.177,1096 15.768,1098 9.746,1099 10.399,1100 3.38,1101 19.552,1102 9.854,1103 3.301,1105 17.643,1107 10.873,1108 11.597,1110 21.906,1111 10.99,1112 2.656,1113 11.334,1114 19.525,1116 12.06,1117 12.853,1118 3.857,1119 24.347,1120 12.183,1121 1.879,1122 8.524,1123 21.411,1124 3.555,1125 13.221,1126 14.085,1128 26.741,1129 13.352,1130 0.561,1131 5.321,1132 23.302,1133 2.98,1134 14.405,1135 15.338,1136 4.338,1137 29.171,1138 14.542,1139 -0.347,1140 1.333,1141 25.197,1142 2.124,1143 15.581,1144 16.584,1146 31.583,1147 15.726,1148 -0.571,1149 -0.981,1150 27.094,1151 0.765,1152 16.766,1153 17.839,1154 4.823,1155 34.01,1156 16.918,1157 -1,1158 -1.511,1159 28.995,1160 -0.374,1161 17.95,1162 19.093,1164 36.43,1165 18.109,1166 578,1167 980,1168 6.068,1169 15.239,1170 17.506,1171 19.4,1172 17.833,1173 16.873,1174 16.794,1175 18.846,1176 5.11,1177 53.024,1178 17.258,1179 5.378,1180 5.811,1181 5.657,1182 5.31,1183 5.301,1184 5.555,1185 2.555,1186 18.642,1187 5.333,1188 7.137,1189 1.591,1190 1.764,1191 1.621,1192 1.534,1193 1.527,1194 1.713,1195 0.465,1196 4.82,1197 1.569,1198 3.944,1199 3.976,1200 3.858,1201 3.833,1202 7.496,1203 3.832,1204 3.45,1205 3.51,1206 3.309,1207 3.294,1208 7.351,1209 3.285,1210 3.265,1211 3.303,1212 3.121,1213 3.054,1214 4.305,1215 3.066,1216 2.874,1217 3.009,1218 2.508,1219 2.618,1220 3.92,1221 2.57,1222 2.735,1223 2.855,1224 2.499,1225 2.478,1226 3.467,1227 2.44,1228 2.684,1229 2.756,1230 2.357,1231 2.388,1232 3.295,1233 2.387,1234 2.171,1235 2.178,1236 1.984,1237 1.669,1238 3.083,1239 1.752,1240 1.729,1241 1.869,1242 1.27,1243 1.287,1244 2.435,1245 1.274,1246 0.398,1247 0.361,1248 0.621,1249 0.392,1250 0.3,1251 4.378,1252 0.323,1253 3.969,1254 0.116,1255 6.828,1256 1.03,1257 4.31,1258 0.303,1259 3.301,1260 3.555,1261 1.277,1262 11.334,1263 3.333,1264 1.913,1265 1.879,1266 2.091,1267 2.049,1268 1.424,1269 2.062,1270 1.453,1271 1.391,1272 1.751,1273 1.652,1274 0.947,1275 1.687,1276 1.203,1277 1.164,1278 1.457,1279 1.456,1280 0.581,1281 1.452,1282 0.934,1283 0.804,1284 1.417,1285 1.239,1286 0.469,1287 1.308,1288 0.777,1289 0.655,1290 1.239,1291 1.077,1292 0.411,1293 1.139,1294 0.629,1295 0.556,1296 0.945,1297 0.967,1299 0.967,1302 0.428,1303 0.445,1305 0.399,1309 0.183,1311 0.156,1312 3.135,1314 4.511,1316 6.066,1318 7.708,1320 9.395,1322 5.906,1328 1.272,1332 -0.064,1334 0.032,1340 14.117,1341 32.264,1342 54.039,1343 79.567,1344 89.832,1345 89.832,1346 89.832,1347 27.305,1348 4.754,1349 34.14,1350 34.14,1351 6,1352 11.473,1353 1.585,1354 1.585,1355 18.978,1356 21,1357 10,1358 0.599,1359 91.846,1360 164.2,1361 215.864,1362 387,1364 8.646,1365 0.786,1366 0.664,1367 8.646,1368 7.308,1369 4.922,1370 0.447,1371 0.363,1372 3.965,1373 4.792,1374 3.693,1375 3.146,1376 4.922,1377 3.993,1378 5.386,1379 0.317,1380 0.249,1381 5.386,1382 4.234,1383 3.544,1384 0.197,1385 0.123,1386 3.544,1387 2.22,1388 2.759,1389 0.131,1390 0.085,1391 2.759,1392 1.79,1393 1.502,1394 0.075,1395 0.04,1396 1.502,1397 0.805,1398 0.823,1399 30.689,1400 0.406,1401 10.54,1402 1.988,1403 56,1404 163.471,1405 60.207,1406 154.709,1407 192.64,1408 140,1409 63,1410 124.273,1411 67.429,1412 128.054,1413 181.91,1414 117,1415 4}
{0 CHEMBL191822,1 1.555,2 8.571,3 3.752,4 14.075,5 79.804,6 8.963,7 0.545,8 3.624,9 3.692,10 3.334,11 3.215,12 4.888,13 3.211,14 4.097,15 4.211,16 3.675,17 3.537,18 5.337,19 3.53,20 4.241,21 4.336,22 3.875,23 3.659,24 5.732,25 3.649,26 4.31,27 4.418,28 3.82,29 3.601,30 5.779,31 3.591,32 4.325,33 4.469,34 3.636,35 3.493,36 5.767,37 3.471,38 4.146,39 4.313,40 3.46,41 3.403,42 5.501,43 3.332,44 4.088,45 4.288,46 3.332,47 3.29,48 5.337,49 3.202,50 3.871,51 4.026,52 3.18,53 3.042,54 5.155,55 2.989,56 0.084,57 0.387,58 4.601,59 3.14,60 5.599,61 3.365,62 0.3,63 0.602,64 10.907,65 5.098,66 25.611,67 5.278,68 0.428,69 0.678,70 12.929,71 5.937,72 48.636,73 6.283,74 0.451,75 0.709,76 16.345,77 6.355,78 47.655,79 6.271,80 0.679,81 0.721,82 17.994,83 6.343,84 77.098,85 6.25,86 0.451,87 0.634,88 13.188,89 5.613,90 50.788,91 6.579,92 0.418,93 0.582,94 16.653,95 5.583,96 50.333,97 6.697,98 0.382,99 0.452,100 12.27,101 4.166,102 45.8,103 4.268,104 30,105 30,106 0.287,107 0.575,108 0.671,109 0.799,110 0.843,111 0.853,112 3.103,113 0.888,114 -3.76,115 -3.73,116 -3.54,121 47.1,126 2,144 7,145 2,146 3,159 2,176 7,180 4,187 8,191 2,192 9,200 6,206 9,214 4,218 1,219 5,227 6,231 2,232 2,239 8,243 1,244 2,251 5,256 4,264 1,269 4,281 544,282 14.069,283 14.069,284 14.069,285 14.069,286 14.069,287 12.42,288 10.581,289 8.151,290 14.476,291 10.645,292 10.645,293 10.645,294 10.645,295 10.645,296 7.993,297 9.687,298 3.613,299 11.127,300 3.533,301 1.965,302 1.446,303 0.75,304 0.515,305 0.456,306 3.757,308 1,310 1,311 1,312 1,313 367,314 3.24,318 148.801,325 1.306,326 31.034,328 1,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 46.333,338 180,339 4.469,340 3.855,341 6.653,342 4.131,343 3.12,344 4.073,345 0.86,346 10.482,347 3.161,348 4.241,349 3.216,350 6.195,351 3.82,352 2.868,353 3.876,354 0.86,355 9.176,356 2.726,357 3.878,358 3.093,359 5.905,360 3.477,361 2.512,362 3.293,364 8.036,365 2.39,366 3.273,367 2.748,368 4.948,369 2.831,370 1.845,371 2.521,373 5.233,374 1.791,375 2.919,376 2.195,377 4.377,378 2.521,379 1.609,380 2.057,382 4.128,383 1.461,384 2.863,385 1.918,386 4.076,387 2.354,388 1.414,389 2.019,391 3.242,392 1.283,393 2.709,394 1.672,395 3.608,396 2.22,397 1.21,398 1.75,400 2.911,401 1.191,402 2.275,403 1.315,404 3.274,405 1.693,406 0.718,407 0.949,409 1.442,410 0.676,411 1.861,412 1.051,413 2.984,414 1.481,415 0.483,416 0.668,418 0.949,419 0.472,420 1.451,421 0.934,422 2.545,423 1.175,424 0.308,425 0.347,427 0.418,428 0.265,429 1.092,430 0.412,431 2.359,432 0.578,433 -0.283,434 -0.365,436 -0.601,437 -0.191,438 0.823,439 0.062,440 2.137,441 0.432,442 -0.514,443 -0.638,445 -0.909,446 -0.471,447 0.632,448 -0.257,449 2,450 0.14,451 -0.833,452 -1.12,454 -2.015,455 -0.798,456 0.584,457 -0.571,458 1.754,459 0.135,460 -0.85,461 -1.234,463 -2.218,464 -0.832,465 0.204,466 -0.797,467 1.534,468 -0.224,469 -1.313,470 -1.721,472 -3.37,473 -1.141,474 10.048,475 0.478,476 0.507,477 0.024,478 28.75,479 1.369,480 16,481 0.762,482 12.75,483 0.607,484 13.705,485 0.653,486 22.352,487 0.657,488 21.761,489 1.036,490 6.157,491 0.293,492 3.922,493 0.187,494 0.237,496 0.348,501 0.682,502 1.113,503 0.559,504 0.977,505 0.569,506 0.875,507 1.091,508 0.822,509 0.672,510 0.706,511 0.75,512 0.687,513 0.868,514 1.08,515 0.858,516 0.995,517 0.788,518 0.914,519 1.266,520 1.211,521 1.125,522 1.212,523 1.35,524 1.101,525 1.39,526 0.886,527 1,528 0.892,529 1.568,530 0.945,531 0.714,532 1.063,533 0.768,534 0.968,535 1.068,536 1.038,537 0.855,538 0.88,539 1.044,540 0.912,541 1.033,542 0.92,543 1.299,544 1.026,545 1.168,546 1.076,547 1.474,548 1.097,549 4,550 0.033,551 3.111,552 1.813,553 1.436,554 0.819,555 0.366,556 0.252,557 0.172,558 0.076,559 3778,560 13818,561 1.941,562 38.2,564 13,572 1.634,573 1.775,574 3.109,575 -0.75,577 1,579 1,582 52.868,583 1.555,584 3.122,585 3.642,586 4.337,587 4.572,588 4.631,589 2.506,590 4.297,591 4.365,592 3.205,593 672.971,594 7.492,595 7072.43,596 1,597 1,598 1,599 1,600 172.974,601 1.545,602 4.294,603 0.182,604 0.007,605 0.104,606 0.053,607 0.048,608 0.033,609 0.017,610 0.014,611 0.012,612 0.008,613 0.477,614 0.5,615 1,616 1.025,617 94.079,618 -0.028,619 -0.091,620 0.017,621 -0.069,622 -0.06,623 -0.019,624 -0.162,625 0.181,626 0.072,627 0.228,628 -0.075,629 0.213,630 0.109,631 -0.094,632 0.03,633 -0.046,634 0.191,635 -0.026,636 -0.135,637 -0.244,638 -0.124,639 -0.257,640 -0.066,641 -0.21,642 -0.129,643 0.087,644 -0.091,645 0.05,646 -0.121,647 -0.027,648 0.168,649 -0.085,650 0.059,651 -0.017,652 0.043,653 -0.056,654 0.048,655 0.076,656 0.061,657 0.093,658 -0.011,659 0.13,660 -0.136,661 -0.069,662 -0.107,663 -0.103,664 -0.251,665 -0.141,666 2.326,667 5.261,668 0.571,669 14.653,670 1.024,671 1.108,672 2.533,673 6.418,674 0.706,675 3.135,676 3.434,677 3.714,678 3.871,679 4.007,680 3.951,681 3.951,682 3.871,683 3.807,684 3.689,685 5.126,686 0.687,687 304.74,688 3.135,689 4.654,690 5.501,691 6.365,692 7.228,693 8.096,694 8.963,695 9.833,696 10.701,697 11.573,715 7,720 5,722 12,727 2,739 2,740 1,741 34,743 14,744 2,745 22,747 35,748 16,749 12,750 5,751 7,752 2,756 2,757 2,758 1,772 14,773 2,777 2,782 2,786 2,790 1,793 13,794 4,796 5,797 1,808 1,809 4,829 2,859 2,864 2,865 1,868 21,878 2,892 1,893 11.8,896 2,898 2,901 11.833,902 6.893,903 4.889,904 1.793,907 2.172,908 1.346,909 0.936,910 4.863,911 8.441,912 3.434,913 4.007,914 4.605,915 5.07,916 5.539,917 5.619,918 5.829,919 5.866,920 5.977,921 6.193,922 0.833,923 34,924 7.759,926 3.258,927 0.026,929 8.108,931 14.104,933 10.838,936 2.608,937 54.778,941 153.024,942 118.725,944 39.149,945 72.29,948 118.725,949 264.463,951 21.766,953 66.334,954 60.557,955 42.358,957 153.024,958 39.149,959 153.024,960 118.725,961 72.29,962 39.149,964 153.024,965 72.29,969 118.725,970 39.149,972 153.024,973 72.29,974 157.874,977 153.024,978 30.626,979 88.1,981 111.438,982 153.024,983 72.29,984 157.874,986 0.574,987 0.364,988 0.188,989 0.092,990 13,991 7,992 0.143,993 5,995 1,996 3.181,997 154.621,999 12,1000 92.239,1005 15.39,1006 6.635,1007 3.191,1009 72.29,1010 10.987,1015 1.516,1018 383.188,1019 30,1024 24.475,1028 -1.308,1031 34.818,1032 37.688,1034 0.306,1035 0.614,1036 0.716,1037 0.853,1038 0.899,1039 0.91,1040 4.644,1041 0.718,1042 5.493,1043 2.911,1044 4.111,1045 4.691,1046 1.376,1047 6.315,1048 4.046,1049 5.859,1050 0.483,1051 7.076,1052 1.442,1053 3.761,1054 4.527,1056 7.29,1057 3.674,1058 7.173,1059 0.308,1060 8.762,1061 0.949,1062 5.72,1063 6.887,1064 1.159,1065 10.374,1066 5.632,1067 8.527,1068 -0.283,1069 10.506,1070 0.418,1071 6.196,1072 7.524,1074 12.126,1075 6.103,1076 9.912,1077 -0.514,1078 12.286,1079 -0.601,1080 7.63,1081 9.36,1082 0.963,1083 14.739,1084 7.541,1085 11.318,1086 -0.833,1087 14.089,1088 -0.909,1089 8.462,1090 10.357,1092 16.797,1093 8.377,1094 12.741,1095 -0.85,1096 15.908,1097 -2.015,1098 9.697,1099 11.972,1100 0.787,1101 19.242,1102 9.62,1103 3.12,1104 -1.313,1105 17.739,1106 -2.218,1107 10.685,1108 13.147,1110 21.437,1111 10.619,1112 2.868,1113 10.482,1114 19.577,1115 -3.37,1116 11.842,1117 14.654,1118 0.634,1119 23.815,1120 11.789,1121 2.512,1122 9.176,1123 21.423,1124 4.073,1125 12.9,1126 15.923,1128 26.078,1129 12.861,1130 1.845,1131 8.036,1132 23.273,1133 3.876,1134 14.029,1135 17.375,1136 0.504,1137 28.429,1138 14.006,1139 1.609,1140 5.233,1141 25.128,1142 3.293,1143 15.118,1144 18.696,1146 30.726,1147 15.113,1148 1.414,1149 4.128,1150 26.986,1151 2.521,1152 16.238,1153 20.119,1154 0.395,1155 33.068,1156 16.251,1157 1.21,1158 3.242,1159 28.848,1160 2.057,1161 17.343,1162 21.469,1164 35.384,1165 17.375,1166 3908,1167 7572,1168 13.929,1169 24.006,1170 32.601,1171 35.086,1172 34.951,1173 32.317,1174 32.174,1175 43.104,1176 3.44,1177 92.033,1178 30.833,1179 5.301,1180 5.855,1181 6.338,1182 5.131,1183 5.12,1184 7.073,1185 1.72,1186 17.834,1187 5.161,1188 12.264,1189 1.482,1190 1.595,1191 1.589,1192 1.469,1193 1.462,1194 1.959,1195 0.156,1196 4.183,1197 1.401,1198 3.991,1199 3.997,1200 4.039,1201 3.918,1202 7.497,1203 3.921,1204 3.869,1205 3.884,1206 3.88,1207 3.805,1208 7.352,1209 3.803,1210 3.443,1211 3.441,1212 3.437,1213 3.241,1214 4.93,1215 3.278,1216 3.247,1217 3.314,1218 3.282,1219 2.956,1220 4.903,1221 2.964,1222 3.178,1223 3.234,1224 3.051,1225 2.93,1226 4.496,1227 2.938,1228 2.88,1229 2.922,1230 3.016,1231 2.799,1232 4.338,1233 2.771,1234 2.833,1235 2.878,1236 2.706,1237 2.694,1238 4.264,1239 2.683,1240 2.751,1241 2.809,1242 2.565,1243 2.606,1244 3.615,1245 2.586,1246 0.203,1247 0.175,1248 0.302,1249 0.188,1250 0.142,1251 4.469,1252 0.185,1253 3.855,1254 0.039,1255 6.653,1256 0.476,1257 4.131,1258 0.144,1259 3.12,1260 4.073,1261 0.86,1262 10.482,1263 3.161,1264 1.935,1265 1.925,1266 2.007,1267 2.028,1268 1.109,1269 2.02,1270 1.852,1271 1.836,1272 1.946,1273 1.94,1274 1.044,1275 1.946,1276 1.324,1277 1.321,1278 1.576,1279 1.578,1280 0.58,1281 1.563,1282 1.192,1283 1.116,1284 1.575,1285 1.523,1286 0.574,1287 1.539,1288 1.136,1289 1.071,1290 1.331,1291 1.39,1292 0.335,1293 1.381,1294 0.869,1295 0.824,1296 1.119,1297 1.026,1298 0.178,1299 1.067,1300 0.828,1301 0.777,1302 1.082,1303 0.998,1304 0.152,1305 1.034,1306 0.747,1307 0.698,1308 0.906,1309 0.924,1310 0.035,1311 0.926,1312 3.807,1314 5.106,1316 6.624,1318 8.234,1320 9.886,1322 2.955,1323 5.939,1330 10.214,1340 23.374,1341 52.868,1342 106.161,1343 123.812,1344 147.464,1345 155.464,1346 157.464,1347 50.71,1348 6.269,1349 52.6,1350 52.6,1351 12,1352 12.115,1353 3.907,1354 3.17,1355 39.17,1356 64,1357 62,1358 0.308,1359 150.36,1360 268.09,1361 358.638,1362 3460,1363 2.9,1364 15.405,1365 0.734,1366 0.586,1367 15.905,1368 12.308,1369 10.079,1370 0.458,1371 0.296,1372 6.056,1373 9.354,1374 5.817,1375 4.867,1376 10.368,1377 6.515,1378 8.554,1379 0.285,1380 0.154,1381 8.924,1382 4.615,1383 7.655,1384 0.191,1385 0.083,1386 8.014,1387 3.3,1388 5.823,1389 0.124,1390 0.045,1391 6.16,1392 2.098,1393 4.266,1394 0.079,1395 0.024,1396 4.484,1397 1.292,1398 0.47,1399 67.034,1400 0.268,1401 20.582,1402 0.879,1403 104,1404 395.146,1405 129.484,1406 398.854,1407 516.09,1408 370,1409 122,1410 333.226,1411 144.562,1412 349.025,1413 507.5,1414 324,1415 4}
{0 CHEMBL191847,1 1.578,2 7.95,3 3.501,4 12.254,5 74.439,6 8.686,7 0.571,8 3.534,9 3.614,10 3.213,11 3.148,12 4.884,13 3.143,14 3.982,15 4.088,16 3.547,17 3.492,18 5.457,19 3.482,20 4.212,21 4.342,22 3.664,23 3.58,24 5.727,25 3.572,26 4.298,27 4.454,28 3.585,29 3.451,30 5.811,31 3.468,32 4.192,33 4.341,34 3.428,35 3.25,36 5.773,37 3.296,38 3.839,39 3.926,40 3.291,41 3.107,42 5.667,43 3.134,44 3.814,45 3.962,46 3.085,47 3.052,48 5.493,49 3.018,50 3.689,51 3.887,52 2.803,53 2.87,54 4.981,55 2.816,56 0.136,57 0.39,58 4.171,59 2.72,60 13.055,61 2.982,62 0.225,63 0.59,64 7.746,65 4.494,66 55.063,67 5.01,68 0.302,69 0.74,70 10.828,71 5.526,72 63.071,73 6.227,74 0.436,75 0.778,76 14.252,77 5.641,78 80.091,79 5.836,80 0.616,81 0.647,82 14.664,83 4.919,84 128.934,85 4.394,86 0.46,87 0.465,88 7.808,89 3.431,90 100.203,91 3.114,92 0.39,93 0.471,94 8.557,95 3.641,96 89.793,97 4.051,98 0.22,99 0.439,100 8.218,101 3.204,102 39.084,103 3.797,104 27,105 29,106 0.293,107 0.555,108 0.642,109 0.774,110 0.819,111 0.83,112 3.058,113 0.842,114 -4.31,115 -4.25,116 -4.01,121 48.4,122 1,144 8,145 3,146 1,159 2,168 2,176 11,179 1,180 4,187 11,191 1,192 13,200 8,206 14,214 5,218 1,219 7,227 7,231 3,232 4,239 8,243 2,244 5,251 7,256 6,264 5,269 5,277 3,281 470,282 13.035,283 13.035,284 13.035,285 13.035,286 13.035,287 11.083,288 7.294,289 7.632,290 13.041,291 10.287,292 10.287,293 10.287,294 10.287,295 10.287,296 7.331,297 5.611,298 3.565,299 10.25,300 3.376,301 1.96,302 1.492,303 0.783,304 0.54,305 0.476,306 3.708,310 1,311 1,312 1,313 325,314 3.317,318 140.865,325 1.26,326 35.485,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 44.5,338 159,339 4.475,340 3.85,341 6.558,342 4.112,343 3.093,344 4.176,345 2.612,346 10.174,347 3.159,348 4.276,349 3.79,350 6.327,351 3.873,352 2.875,353 3.814,355 9.367,356 2.854,357 3.827,358 2.989,359 5.662,360 3.398,361 2.391,362 3.332,364 7.393,365 2.403,366 3.474,367 2.646,368 4.707,369 2.886,370 1.893,371 2.844,373 4.781,374 1.876,375 3.18,376 2.161,377 4.543,378 2.723,379 1.706,380 2.425,382 4.331,383 1.73,384 2.722,385 1.873,386 3.669,387 2.237,388 1.213,389 1.768,391 2.859,392 1.238,393 2.607,394 1.344,395 3.598,396 2,397 1,398 1.595,400 2.42,401 1,402 2.5,403 1.323,404 3.247,405 2,406 1,407 1.5,409 2.136,410 1,411 2.242,412 1,413 3.149,414 1.599,415 0.495,416 0.795,418 1.144,419 0.541,420 1.242,421 1,422 2.382,423 0.87,424 -0.15,425 -0.2,427 -0.337,428 -0.153,429 1,430 0.355,431 2.313,432 0.28,433 -0.75,434 -1.093,436 -1.609,437 -0.77,438 0.75,439 -0.18,440 1.943,441 0.176,442 -0.818,443 -1.18,445 -2,446 -0.813,447 0.656,448 -0.585,449 1.574,451 -1,452 -1.5,454 -2.347,455 -1,456 0.5,457 -0.736,458 1.555,460 -1,461 -1.558,463 -2.496,464 -1,465 0.241,466 -1,467 1.42,468 -0.149,469 -1.208,470 -2,472 -3.049,473 -1.247,474 9.233,475 0.462,476 0.583,477 0.029,478 29.75,479 1.488,480 18,481 0.9,482 11.75,483 0.588,484 11.005,485 0.55,486 20.767,487 0.67,488 22.173,489 1.109,490 6.167,491 0.308,492 3.335,493 0.167,494 0.199,496 0.368,501 0.333,502 0.862,503 0.61,504 0.864,505 0.506,506 0.842,507 0.475,508 1.026,509 0.669,510 1.012,511 0.497,512 0.93,513 0.643,514 1.218,515 0.8,516 1.191,517 0.608,518 1.079,519 1.275,520 1.109,521 1.052,522 1.099,523 1.201,524 1.019,525 1.863,526 0.717,527 1.213,528 0.702,529 1.929,530 0.747,531 1.194,532 0.977,533 1.126,534 1.002,535 1.289,536 1.042,537 0.782,538 1.072,539 1.059,540 1.064,541 0.782,542 1.133,543 0.902,544 1.106,545 1.083,546 1.069,547 0.794,548 1.108,549 4,550 0.037,551 2.889,552 1.75,553 1.164,554 0.764,555 0.325,556 0.236,557 0.152,558 0.074,559 3337,560 12347,561 1.938,562 35.5,563 3,564 8,572 1.62,573 1.765,574 3.028,575 -0.738,577 1,579 1,582 48.923,583 1.578,584 2.994,585 3.462,586 4.171,587 4.414,588 4.478,589 2.484,590 3.446,591 4.296,592 3.142,593 596.935,594 7.35,595 6063.87,596 1,597 1,598 1,599 1,600 153.58,601 1.559,602 4.219,603 0.19,604 0.012,605 0.1,606 0.056,607 0.043,608 0.033,609 0.016,610 0.015,611 0.013,612 0.009,613 0.488,614 0.33,615 1,616 0.932,617 87.892,618 0.2,619 0.189,620 0.037,621 0.098,622 -0.017,623 0.023,624 0.148,625 -0.049,626 0.085,627 -0.026,628 0.127,629 0.001,630 0.101,631 -0.24,632 0.047,633 -0.223,634 0.127,635 -0.132,636 -0.195,637 -0.129,638 -0.051,639 -0.153,640 -0.124,641 -0.073,642 -0.381,643 0.223,644 -0.105,645 0.251,646 -0.397,647 0.179,648 0.106,649 -0.014,650 -0.224,651 -0.062,652 0.051,653 -0.207,654 0.194,655 -0.124,656 -0.093,657 -0.092,658 0.202,659 -0.163,660 -0.099,661 -0.115,662 -0.062,663 -0.104,664 -0.034,665 -0.076,666 2.57,667 5.059,668 0.6,669 13.1,670 1.027,671 1.11,672 3.083,673 9.506,674 0.698,675 3.091,676 3.401,677 3.638,678 3.784,679 3.932,680 3.871,681 3.871,682 3.761,683 3.611,684 3.497,685 4.943,686 0.694,687 269.27,688 3.091,689 4.615,690 5.451,691 6.312,692 7.166,693 8.031,694 8.891,695 9.758,696 10.62,697 11.488,698 3.2,709 1,715 8,720 4,722 12,727 2,735 1,741 31,743 16,744 2,745 21,747 32,748 15,749 12,750 4,751 8,752 2,756 2,757 2,763 1,772 14,773 1,777 4,779 1,782 4,786 2,789 1,790 1,793 11,794 4,796 5,802 1,808 1,809 4,829 2,859 2,864 1,868 20,893 12.9,896 2,899 2,901 11.333,902 6.033,903 4.472,904 1.756,907 2.308,908 1.375,909 0.944,910 3.831,911 8.459,912 3.466,913 4.06,914 4.605,915 5.075,916 5.555,917 5.668,918 5.917,919 5.933,920 5.968,921 6.188,922 1,923 31,924 7.42,926 3.231,927 0.026,929 8.4,931 13.231,933 10.402,936 2.9,937 58,941 129.482,942 107.216,943 5.67,945 101.037,948 107.216,949 230.519,950 5.67,951 14.495,953 75.81,954 60.557,955 12.313,957 129.482,958 50.747,959 129.482,960 112.886,961 101.037,964 129.482,965 50.29,966 50.747,968 8.825,969 98.39,970 5.67,972 129.482,973 106.707,974 107.216,977 129.482,978 22.58,979 90.305,981 101.037,982 129.482,983 106.707,984 107.216,986 0.586,987 0.348,988 0.173,989 0.087,990 13,991 7,992 0.125,993 4,995 1,996 3.107,997 143.956,999 12,1000 80.439,1005 13.787,1006 5.557,1007 2.871,1009 101.037,1010 12.119,1015 0.562,1018 343.405,1019 31,1021 -0.57,1024 45.742,1028 -1.428,1031 31.829,1032 34.412,1034 0.319,1035 0.604,1036 0.699,1037 0.842,1038 0.891,1039 0.904,1040 4.673,1041 1,1042 5.451,1043 2.42,1044 4.078,1045 4.745,1046 2.501,1047 6.26,1048 4.091,1049 5.904,1050 0.495,1051 7.027,1052 2.136,1053 3.761,1054 4.635,1055 2.361,1056 7.204,1057 3.789,1058 7.222,1059 -0.15,1060 8.708,1061 1.144,1062 5.673,1063 6.953,1064 4.154,1065 10.286,1066 5.7,1067 8.576,1068 -0.75,1069 10.448,1070 -0.337,1071 6.155,1072 7.626,1073 4.506,1074 12.013,1075 6.207,1076 9.961,1077 -0.818,1078 12.223,1079 -1.609,1080 7.575,1081 9.437,1082 5.948,1083 14.621,1084 7.626,1085 11.366,1086 -1,1087 14.022,1088 -2,1089 8.401,1090 10.463,1091 6.556,1092 16.657,1093 8.48,1094 12.787,1095 -1,1096 15.837,1097 -2.347,1098 9.632,1099 12.066,1100 7.794,1101 19.089,1102 9.714,1103 3.093,1104 -1.208,1105 17.664,1106 -2.496,1107 10.612,1108 13.267,1109 8.548,1110 21.262,1111 10.721,1112 2.875,1113 10.174,1114 19.498,1115 -3.049,1116 11.767,1117 14.773,1118 9.67,1119 23.619,1120 11.886,1121 2.391,1122 9.367,1123 21.339,1124 4.176,1125 12.817,1126 16.068,1127 10.509,1128 25.857,1129 12.96,1130 1.893,1131 7.393,1132 23.185,1133 3.814,1134 13.943,1135 17.527,1136 11.563,1137 28.183,1138 14.101,1139 1.706,1140 4.781,1141 25.035,1142 3.332,1143 15.025,1144 18.874,1145 12.452,1146 30.453,1147 15.207,1148 1.213,1149 4.331,1150 26.888,1151 2.844,1152 16.14,1153 20.31,1154 13.468,1155 32.767,1156 16.341,1157 1,1158 2.859,1159 28.744,1160 2.425,1161 17.239,1162 21.687,1163 14.386,1164 35.053,1165 17.461,1166 3442,1167 6729,1168 13.235,1169 21.631,1170 32.034,1171 34.545,1172 33.203,1173 31.399,1174 31.334,1175 44.501,1176 5.225,1177 89.211,1178 31.603,1179 5.299,1180 5.85,1181 6.36,1182 5.112,1183 5.093,1184 7.176,1185 4.612,1186 17.34,1187 5.159,1188 11.742,1189 1.525,1190 1.645,1191 1.581,1192 1.495,1193 1.492,1194 2.119,1195 0.249,1196 4.248,1197 1.505,1198 4.035,1199 4.053,1200 4.002,1201 3.936,1202 7.815,1203 3.944,1204 3.897,1205 3.922,1206 3.843,1207 3.821,1208 7.496,1209 3.819,1210 3.551,1211 3.559,1212 3.532,1213 3.295,1214 7.352,1215 3.332,1216 3.373,1217 3.399,1218 3.308,1219 3.006,1220 6.999,1221 3.094,1222 3.086,1223 3.146,1224 2.93,1225 2.927,1226 4.727,1227 2.919,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 4.647,1233 2.715,1234 2.762,1235 2.819,1236 2.603,1237 2.575,1238 3.843,1239 2.573,1240 2.641,1241 2.686,1242 2.513,1243 2.398,1244 3.674,1245 2.437,1246 0.213,1247 0.183,1248 0.312,1249 0.196,1250 0.147,1251 4.475,1252 0.199,1253 3.85,1254 0.124,1255 6.558,1256 0.484,1257 4.112,1258 0.15,1259 3.093,1260 4.176,1261 2.612,1262 10.174,1263 3.159,1264 1.968,1265 1.951,1266 2.055,1267 2.104,1268 1.168,1269 2.075,1270 1.885,1271 1.859,1272 2.001,1273 1.983,1274 1.07,1275 1.987,1276 1.38,1277 1.369,1278 1.57,1279 1.698,1280 0.637,1281 1.593,1282 1.18,1283 1.139,1284 1.32,1285 1.534,1286 0.301,1287 1.525,1288 1.072,1289 1.021,1290 1.256,1291 1.295,1292 0.218,1293 1.3,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.213,1299 1.107,1300 0.745,1301 0.687,1302 1.004,1303 0.963,1304 0.008,1305 0.986,1306 0.563,1307 0.523,1308 0.797,1309 0.842,1311 0.846,1312 3.761,1314 5.069,1316 6.581,1318 8.177,1320 9.816,1322 1.575,1340 21.515,1341 48.923,1342 92.825,1343 107.315,1344 129.315,1345 136.825,1346 138.825,1347 55.243,1348 6.151,1349 79.96,1350 79.96,1351 12,1352 12.034,1353 4.087,1354 3.459,1355 36.316,1356 59,1357 54,1358 0.311,1359 136.301,1360 243.94,1361 324.336,1362 2961,1364 14.698,1365 0.735,1366 0.535,1367 14.698,1368 10.699,1369 9.503,1370 0.453,1371 0.281,1372 5.824,1373 9.13,1374 5.66,1375 4.735,1376 9.503,1377 5.896,1378 8.575,1379 0.296,1380 0.148,1381 8.575,1382 4.283,1383 7.121,1384 0.192,1385 0.079,1386 7.121,1387 2.91,1388 5.316,1389 0.124,1390 0.042,1391 5.316,1392 1.799,1393 3.926,1394 0.079,1395 0.023,1396 3.926,1397 1.146,1398 0.474,1399 60.071,1400 0.275,1401 19.717,1402 0.892,1403 100,1404 388.587,1405 110.384,1406 371.121,1407 478.42,1408 338,1409 116,1410 335.638,1411 126.747,1412 335.921,1413 482.35,1414 313,1415 4}
{0 CHEMBL191930,1 1.549,2 10.739,3 -0.638,4 0.407,5 88.066,6 6.655,7 0.2,8 3.96,9 4.106,10 3.437,11 3.373,12 4.916,13 3.354,14 4.584,15 4.813,16 3.754,17 3.787,18 5.474,19 3.734,20 4.84,21 5.099,22 3.67,23 3.925,24 5.71,25 3.798,26 4.864,27 5.138,28 3.576,29 3.871,30 5.745,31 3.725,32 4.807,33 5.098,34 3.54,35 3.723,36 5.807,37 3.599,38 4.615,39 4.883,40 3.527,41 3.647,42 5.566,43 3.559,44 4.567,45 4.796,46 3.538,47 3.679,48 5.614,49 3.587,50 4.602,51 4.871,52 3.344,53 3.509,54 5.69,55 3.402,57 0.731,58 11.544,59 3.761,60 4.807,61 6.082,62 0.354,63 1.137,64 22.953,65 5.894,66 19.161,67 10.143,68 0.484,69 1.235,70 29.935,71 8.859,72 36.882,73 13.902,74 0.363,75 1.154,76 30.71,77 9.222,78 47.533,79 14.364,80 0.566,81 1.045,82 29.711,83 7.243,84 79.952,85 12.319,86 0.507,87 0.953,88 24.402,89 6.227,90 41.347,91 10.139,92 0.3,93 0.938,94 22.677,95 7.008,96 38.137,97 10.549,98 0.412,99 0.826,100 24.242,101 5.91,102 62.855,103 9.722,104 5,105 33,106 0.269,107 0.495,108 0.685,109 0.809,110 0.824,111 0.845,112 3.187,113 1.015,114 -1.69,115 -1.75,116 -1.78,121 33.3,123 3,127 8,147 1,153 1,160 2,162 1,176 1,179 3,180 4,191 4,205 1,206 2,218 2,219 4,231 4,243 2,244 2,255 1,256 5,268 2,281 735,282 15.706,283 15.706,284 15.706,285 15.706,286 15.706,287 14.825,288 21.897,289 9.538,290 16.163,291 12.355,292 12.355,293 12.355,294 12.355,295 12.355,296 10.952,297 23.901,298 4.559,299 13.054,300 4.036,301 2.732,302 1.636,303 0.917,304 0.833,305 0.708,306 3.868,312 1,313 533,314 2.828,317 149.67,318 82.174,325 2.185,326 23.698,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 50.5,338 247,339 4.143,340 3.887,341 6.251,342 3.95,343 2.991,344 3.479,345 2.058,346 9.369,347 2.86,348 3.92,349 3.528,350 5.745,351 3.495,352 2.565,353 3.313,354 1.909,355 7.618,356 2.388,357 3.644,358 2.854,359 5.352,360 3.452,361 2.534,362 2.779,363 0.8,364 6.995,365 2.326,366 3.513,367 2.651,368 5.344,369 3.329,370 2.373,371 2.528,372 0.767,373 6.947,374 2.262,375 2.922,376 2.399,377 4.552,378 2.729,379 1.728,380 1.927,381 0.397,382 4.699,383 1.709,384 2.707,385 2.101,386 3.809,387 2.441,388 1.468,389 1.752,391 3.212,392 1.424,393 2.45,394 1.463,395 3.562,396 2.265,397 1.302,398 1.405,400 2.843,401 1.25,402 2.206,403 1.366,404 3.396,405 2,406 1.041,407 1.17,409 2.378,410 0.992,411 2.118,412 0.994,413 3.083,414 1.667,415 0.692,416 0.927,418 1.606,419 0.669,420 1.91,421 0.795,422 3,423 1.591,424 0.618,425 0.772,427 1.372,428 0.6,429 1.618,430 0.744,431 3,432 1.553,433 0.618,434 0.618,436 1.372,437 0.577,438 1.419,439 0.618,440 2.732,441 1.241,442 0.244,443 0.272,445 0.574,446 0.24,447 0.986,448 0.558,449 2.639,450 0.76,451 -0.22,452 -0.252,454 -0.53,455 -0.213,456 0.684,457 0.17,458 2.323,459 0.386,460 -0.593,461 -0.629,463 -1.611,464 -0.566,465 0.432,466 -0.274,467 1.94,468 0.213,469 -0.819,470 -0.957,472 -2.001,473 -0.815,474 10.667,475 0.464,476 0.452,477 0.02,478 23.5,479 1.022,480 7,481 0.304,482 16.5,483 0.717,484 20.533,485 0.893,486 27.133,487 0.565,488 15.809,489 0.687,490 4.571,491 0.199,492 6.649,493 0.289,494 0.063,496 0.244,501 0.724,502 2.012,503 0.86,504 1.505,505 0.464,506 1.238,507 0.955,508 1.16,509 1.043,510 0.991,511 0.536,512 0.998,513 0.961,514 0.933,515 1.114,516 1.087,517 0.959,518 1.118,519 1.048,520 1.048,521 0.994,522 1.119,523 1.286,524 1.072,525 1.142,526 0.941,527 0.931,528 0.852,529 1.213,530 0.86,531 1.246,532 0.73,533 1.008,534 0.764,535 1.327,536 0.833,537 1.209,538 1.117,539 1.051,540 1.198,541 1.553,542 1.129,543 1.557,544 1.032,545 1.081,546 0.986,547 1.872,548 0.975,549 4,550 0.007,551 2.222,552 1.069,553 1.014,554 0.514,555 0.371,556 0.312,557 0.212,558 0.076,559 6481,560 14914,561 2.093,562 52.1,564 16,565 1,566 2,569 4,570 2,572 1.652,573 2,574 3.389,575 -0.686,582 74.372,583 1.549,584 2.853,585 3.949,586 4.668,587 4.752,588 4.877,589 2.926,590 3.915,591 4.49,592 3.605,593 911.942,594 7.707,595 10897.5,600 268.078,601 1.214,602 4.473,603 0.16,604 0.001,605 0.067,606 0.038,607 0.041,608 0.021,609 0.015,610 0.012,611 0.011,612 0.006,613 0.373,614 0.33,615 1,616 0.503,617 110.13,619 -0.598,620 0.087,621 -0.253,622 0.038,623 -0.098,624 -0.022,625 0.056,626 -0.049,627 0.018,628 0.024,629 -0.008,630 -0.003,631 0.101,632 -0.14,633 -0.076,634 -0.038,635 -0.123,636 -0.047,637 -0.131,638 -0.025,639 -0.109,640 -0.084,641 -0.073,642 0.035,643 -0.07,644 0.077,645 0.052,646 0.082,647 0.07,648 -0.022,649 0.254,650 0.013,651 0.163,652 -0.076,653 0.104,654 -0.026,655 -0.089,656 -0.059,657 -0.132,658 -0.066,659 -0.107,660 -0.136,661 -0.156,662 -0.046,663 -0.069,664 -0.085,665 -0.049,666 1.6,667 5.245,668 0.696,669 24.038,670 1,671 1.147,672 0.457,673 0.209,674 0.616,675 3.258,676 3.526,677 3.738,678 3.912,679 3.932,680 3.951,681 3.989,682 4.078,683 4.159,684 4.159,685 6.557,686 0.579,687 319.46,688 3.258,689 4.762,690 5.58,691 6.418,692 7.249,693 8.09,694 8.927,695 9.769,696 10.609,697 11.453,698 10.4,701 1,705 2,706 1,708 1,715 3,716 1,721 1,722 5,741 48,743 7,745 25,747 50,748 16,749 3,756 3,757 3,767 2,770 3,772 5,773 11,777 2,782 2,786 2,790 1,793 25,794 6,796 7,799 1,802 5,808 1,809 2,825 1,828 2,829 1,844 2,855 1,859 3,868 23,876 11,881 3,893 4.2,896 2,901 11.5,902 8.333,903 5.139,904 3.111,907 0.759,908 1.114,909 0.952,910 5.679,911 7.413,912 3.418,913 3.812,914 4.149,915 4.461,916 4.399,917 4.387,918 4.464,919 4.631,920 4.838,921 4.973,922 1,923 28,924 8.604,926 3.619,927 0.026,929 7.71,931 16.814,933 13.881,936 2.21,937 50.833,941 294.278,942 60.572,943 28.058,945 50.29,948 60.572,949 344.567,950 28.058,952 30.698,953 9.047,954 108.645,955 14.071,956 11.771,957 258.964,959 294.278,960 88.63,961 50.29,964 223.651,965 120.916,968 53.387,969 18.457,970 16.786,972 294.278,973 78.347,974 60.572,977 294.278,978 33.859,979 37.985,981 67.075,982 294.278,983 78.347,984 60.572,986 0.57,987 0.327,988 0.168,989 0.074,990 15,991 6,992 0.14,993 7,995 1,996 3.733,997 170.008,999 16,1000 100.042,1005 16.468,1006 7.932,1007 4.55,1009 76.448,1010 5.417,1011 3.995,1016 1.985,1018 433.197,1019 29.5,1024 24.483,1028 0.142,1031 48,1032 55.062,1034 0.277,1035 0.511,1036 0.707,1037 0.836,1038 0.851,1039 0.873,1040 4.647,1041 1.041,1042 5.525,1043 2.843,1044 4.205,1045 4.494,1046 2.799,1047 6.248,1048 4.101,1049 5.755,1050 0.692,1051 7.029,1052 2.378,1053 3.611,1054 4.034,1055 2.301,1056 6.952,1057 3.449,1058 6.999,1059 0.618,1060 8.631,1061 1.606,1062 5.714,1063 6.337,1064 3.772,1065 10.005,1066 5.491,1067 8.271,1068 0.618,1069 10.292,1070 1.372,1071 5.994,1072 6.767,1073 3.891,1074 11.543,1075 5.715,1076 9.577,1077 0.244,1078 11.991,1079 1.372,1080 7.483,1081 8.459,1082 4.992,1083 14.068,1084 7.146,1085 10.902,1086 -0.22,1087 13.715,1088 0.574,1089 8.161,1090 9.287,1091 5.387,1092 15.952,1093 7.777,1094 12.243,1095 -0.593,1096 15.456,1097 -0.53,1098 9.401,1099 10.733,1100 6.301,1101 18.296,1102 8.962,1103 2.991,1104 -0.819,1105 17.21,1106 -1.611,1107 10.273,1108 11.753,1109 6.836,1110 20.344,1111 9.794,1112 2.565,1113 9.369,1114 18.973,1115 -2.001,1116 11.409,1117 13.088,1118 7.652,1119 22.618,1120 10.879,1121 2.534,1122 7.618,1123 20.745,1124 3.479,1125 12.379,1126 14.205,1127 8.263,1128 24.752,1129 11.811,1130 2.373,1131 6.995,1132 22.522,1133 3.313,1134 13.473,1135 15.488,1136 9.027,1137 27,1138 12.859,1139 1.728,1140 6.947,1141 24.306,1142 2.779,1143 14.494,1144 16.657,1145 9.681,1146 29.179,1147 13.842,1148 1.468,1149 4.699,1150 26.094,1151 2.528,1152 15.574,1153 17.914,1154 10.417,1155 31.417,1156 14.88,1157 1.302,1158 3.212,1159 27.886,1160 1.927,1161 16.623,1162 19.111,1163 11.094,1164 33.622,1165 15.891,1166 6189,1167 9506,1168 16.989,1169 29.552,1170 36.82,1171 37.35,1172 36.292,1173 36.387,1174 36.348,1175 41.884,1176 11.861,1177 97.972,1178 34.596,1179 5.143,1180 5.742,1181 5.906,1182 5.018,1183 4.991,1184 6.064,1185 3.571,1186 16.057,1187 4.744,1188 8.173,1189 1.473,1190 1.494,1191 1.452,1192 1.455,1193 1.454,1194 1.675,1195 0.474,1196 3.919,1197 1.384,1198 3.962,1199 4.028,1200 3.887,1201 3.755,1202 7.434,1203 3.777,1204 3.884,1205 3.952,1206 3.805,1207 3.688,1208 7.42,1209 3.702,1210 3.8,1211 3.86,1212 3.689,1213 3.595,1214 4.953,1215 3.617,1216 3.488,1217 3.565,1218 3.342,1219 3.309,1220 4.359,1221 3.304,1222 3.293,1223 3.369,1224 3.126,1225 3.112,1226 4.163,1227 3.102,1228 3.167,1229 3.187,1230 3.074,1231 2.933,1232 3.966,1233 2.959,1234 2.92,1235 3.016,1236 2.737,1237 2.671,1238 3.712,1239 2.656,1240 2.869,1241 2.979,1242 2.583,1243 2.645,1244 3.455,1245 2.635,1246 0.166,1247 0.155,1248 0.25,1249 0.158,1250 0.12,1251 4.143,1252 0.139,1253 3.887,1254 0.082,1255 6.251,1256 0.375,1257 3.95,1258 0.114,1259 2.991,1260 3.479,1261 2.058,1262 9.369,1263 2.86,1264 1.797,1265 1.74,1266 1.973,1267 2.033,1268 1.274,1269 2.015,1270 1.668,1271 1.598,1272 1.882,1273 1.896,1274 1.211,1275 1.896,1276 1.577,1277 1.507,1278 1.86,1279 1.785,1280 1.194,1281 1.793,1282 1.534,1283 1.462,1284 1.741,1285 1.751,1286 0.994,1287 1.778,1288 1.333,1289 1.267,1290 1.556,1291 1.546,1292 0.803,1293 1.555,1294 1.25,1295 1.167,1296 1.484,1297 1.518,1298 0.662,1299 1.505,1300 1.118,1301 1.045,1302 1.41,1303 1.361,1304 0.594,1305 1.393,1306 1.08,1307 1.032,1308 1.363,1309 1.341,1310 0.409,1311 1.337,1312 3.932,1314 5.209,1315 3.045,1316 6.655,1317 5.13,1318 8.186,1319 6.952,1320 9.767,1328 9.04,1333 5.772,1340 27.805,1341 74.372,1342 136.951,1343 189.549,1344 224.078,1345 228.078,1346 234.078,1347 42.659,1348 6.654,1349 61.68,1350 61.68,1351 16,1352 12.016,1353 3,1354 2.459,1355 37.06,1356 91,1357 76,1358 0.2,1359 172.322,1360 299.4,1361 412.226,1362 6562,1364 16.071,1365 0.699,1366 0.59,1367 16.071,1368 13.563,1369 11.22,1370 0.449,1371 0.338,1372 8.297,1373 10.609,1374 8.167,1375 6.702,1376 11.22,1377 8.459,1378 9.755,1379 0.296,1380 0.192,1381 9.755,1382 6.333,1383 8.041,1384 0.196,1385 0.113,1386 8.041,1387 4.646,1388 6.326,1389 0.129,1390 0.066,1391 6.326,1392 3.242,1393 4.171,1394 0.083,1395 0.037,1396 4.171,1397 1.852,1398 0.32,1399 71.351,1400 0.243,1401 23.239,1402 0.527,1403 116,1404 341.697,1405 130.864,1406 320.409,1407 424.46,1408 300,1409 132,1410 296.949,1411 148.365,1412 296.109,1413 428.37,1414 277,1415 4.699}
{0 CHEMBL192039,1 1.506,2 8.4,3 2.05,4 4.204,5 68.849,6 9.141,7 0.571,8 3.544,9 3.593,10 3.217,11 3.077,12 5.003,13 3.119,14 3.912,15 3.967,16 3.593,17 3.419,18 5.419,19 3.459,20 4.234,21 4.318,22 3.729,23 3.502,24 5.884,25 3.556,26 4.276,27 4.392,28 3.672,29 3.359,30 6.098,31 3.419,32 4.126,33 4.244,34 3.417,35 3.17,36 5.873,37 3.234,38 3.861,39 3.964,40 3.293,41 3.056,42 5.613,43 3.105,44 3.809,45 3.906,46 3.19,47 2.998,48 5.626,49 3.015,50 3.769,51 3.951,52 2.726,53 2.777,54 5.106,55 2.736,56 0.256,57 0.353,58 4.191,59 2.783,60 48.728,61 2.223,62 0.27,63 0.525,64 5.251,65 4.196,66 52.715,67 3.812,68 0.622,69 0.681,70 10.159,71 5.42,72 122.962,73 4.769,74 0.887,75 0.682,76 13.329,77 5.489,78 166.888,79 5.432,80 0.842,81 0.569,82 12.691,83 4.509,84 171.222,85 3.78,86 0.56,87 0.453,88 8.408,89 3.62,90 117.431,91 3.333,92 0.547,93 0.434,94 7.169,95 3.487,96 100.506,97 3.347,98 0.463,99 0.418,100 9.477,101 3.48,102 84.296,103 3.69,104 37,105 30,106 0.285,107 0.544,108 0.629,109 0.714,110 0.739,111 0.739,112 3.058,113 0.79,114 -1.97,115 -2.02,116 -2.02,121 46.7,144 6,145 2,146 4,159 2,176 4,180 2,185 8,187 6,191 1,192 4,197 4,200 3,206 6,209 2,210 2,211 4,214 2,219 4,222 2,224 2,227 5,235 2,237 2,239 4,247 2,248 1,249 6,251 4,261 2,273 2,274 4,281 464,282 12.776,283 12.776,284 12.776,285 12.776,286 12.776,287 10.997,288 10.374,289 7.279,290 12.876,291 10.269,292 10.269,293 10.269,294 10.269,295 10.269,296 7.559,297 8.958,298 3.408,299 10.45,300 3.401,301 2.034,302 1.584,303 1.133,304 1,305 1,306 3.705,311 1,312 1,313 344,314 3,318 139.244,325 1.2,326 46.442,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 46,338 168,339 4.503,340 3.86,341 6.722,342 4.171,343 3.154,344 4.12,346 10.719,347 3.206,348 4.239,349 3.145,350 6.246,351 3.824,352 2.845,353 3.9,355 9.166,356 2.781,357 3.799,358 2.841,359 5.435,360 3.384,361 2.4,362 3.22,364 6.785,365 2.347,366 3.483,367 2.677,368 5.028,369 3.078,370 2.118,371 2.809,373 5.927,374 2.025,375 3.195,376 2.291,377 4.81,378 2.775,379 1.815,380 2.403,382 5.024,383 1.724,384 2.884,385 2.262,386 4.333,387 2.448,388 1.475,389 2.013,391 3.855,392 1.423,393 2.7,394 1.467,395 3.969,396 2.216,397 1.214,398 1.767,400 3.118,401 1.211,402 2.327,403 1.466,404 3.36,405 1.728,406 0.66,407 0.994,409 1.533,410 0.693,411 1.256,412 0.407,413 2.57,414 0.858,415 -0.101,416 -0.128,418 -0.236,419 -0.095,420 1.249,421 0.347,422 2.359,423 0.79,424 -0.225,425 -0.325,427 -0.498,428 -0.224,429 0.796,430 -0.071,431 2.359,432 0.399,433 -0.515,434 -0.621,436 -1.242,437 -0.46,438 0.796,439 -0.071,440 2.151,441 0.399,442 -0.515,443 -0.621,445 -1.242,446 -0.46,447 0.279,448 -0.374,449 1.826,450 -0.142,451 -1.148,452 -1.527,454 -2.984,455 -1.106,456 0.141,457 -0.907,458 1.444,459 -0.199,460 -1.154,461 -1.553,463 -3.1,464 -1.107,465 0.036,466 -1.078,467 1.372,468 -0.323,469 -1.359,470 -1.933,472 -3.689,473 -1.385,474 9,475 0.45,476 0.689,477 0.034,478 29,479 1.45,480 17,481 0.85,482 12,483 0.6,484 10.99,485 0.549,486 21.6,487 0.72,488 22.933,489 1.147,490 6.078,491 0.304,492 3.319,493 0.166,494 0.222,496 0.444,501 0.96,502 0.753,503 0.76,504 0.73,505 0.939,506 0.673,507 0.689,508 1.183,509 0.633,510 1.162,511 0.683,512 0.961,513 1.023,514 1.191,515 0.942,516 1.175,517 0.996,518 1.068,519 0.911,520 1.093,521 0.906,522 1.087,523 0.958,524 1.023,525 1.398,526 0.792,527 1.207,528 0.78,529 1.533,530 0.863,531 1.008,532 0.925,533 0.955,534 0.92,535 1.129,536 0.914,537 0.768,538 1.163,539 1.086,540 1.199,541 0.729,542 1.267,543 1.115,544 1.066,545 1.311,546 1.096,547 1.046,548 1.236,549 5,550 0.041,551 3.111,552 2.125,553 1.467,554 0.75,555 0.446,556 0.205,557 0.221,558 0.04,559 3265,560 13877,561 1.911,562 33.3,564 6,567 4,572 1.62,573 1.714,574 3.048,575 1.977,577 1,578 1,579 1,582 45.175,583 1.506,584 2.873,585 3.323,586 3.774,587 3.907,588 3.907,589 2.446,590 3.322,591 4.295,592 3.133,593 595.318,594 7.35,595 5968.22,596 1,597 1,599 1,600 147.207,601 1.571,602 4.201,603 0.238,604 0.021,605 0.104,606 0.066,607 0.052,608 0.034,609 0.022,610 0.012,611 0.022,612 0.006,613 0.577,614 0.5,615 1,616 0.737,617 87.569,618 -0.212,619 0.278,620 -0.111,621 0.28,622 -0.233,623 0.179,624 -0.043,625 -0.162,626 0.007,627 -0.152,628 -0.031,629 -0.08,630 -0.114,631 -0.21,632 -0.105,633 -0.206,634 -0.085,635 -0.168,636 0.132,637 -0.138,638 0.101,639 -0.135,640 0.128,641 -0.065,642 -0.216,643 0.161,644 -0.153,645 0.16,646 -0.225,647 0.073,648 0.001,649 0.046,650 -0.011,651 0.043,652 -0.025,653 0.02,654 0.192,655 -0.193,656 -0.178,657 -0.237,658 0.189,659 -0.341,660 -0.198,661 -0.129,662 -0.192,663 -0.13,664 -0.202,665 -0.15,666 2.705,667 4.95,668 0.6,669 12.8,670 1.046,671 1.111,672 0.736,673 0.542,674 0.684,675 3.091,676 3.434,677 3.664,678 3.85,679 3.97,680 3.932,681 3.784,682 3.714,683 3.714,684 3.497,685 4.871,686 0.697,687 274.24,688 3.091,689 4.635,690 5.476,691 6.354,692 7.212,693 8.092,694 8.954,695 9.835,696 10.701,697 11.581,715 6,720 6,722 12,727 2,738 4,741 30,743 14,744 2,745 21,747 31,748 14,749 12,750 6,751 6,752 2,756 2,757 2,772 14,777 2,782 2,786 2,789 1,790 1,793 10,794 6,795 4,796 6,808 1,809 6,829 2,859 2,868 20,875 4,893 20,895 4,896 2,901 11.667,902 5.133,903 4.389,904 1.485,907 2.194,908 1.355,909 0.852,910 3.742,911 8.368,912 3.401,913 4.025,914 4.59,915 5.08,916 5.529,917 5.635,918 5.653,919 5.768,920 5.955,921 6.124,922 0.833,923 32,924 7.455,926 3.399,927 0.026,929 8.667,931 12.828,933 10.232,936 3.167,937 63.333,941 70.627,942 73.496,945 221.023,948 73.496,949 291.65,953 56.857,954 231.29,955 6.371,957 70.627,959 70.627,960 73.496,961 221.023,964 70.627,965 221.023,969 73.496,972 70.627,973 221.023,974 73.496,977 70.627,978 16.638,979 56.857,981 221.023,982 70.627,983 221.023,984 73.496,986 0.596,987 0.351,988 0.179,989 0.089,990 14,991 8,992 0.097,993 3,995 1,996 3.057,997 146.065,999 12,1000 66.439,1005 14.054,1006 5.326,1007 2.818,1009 221.023,1010 6.354,1015 -2.165,1017 170.733,1018 365.145,1019 29,1024 23.899,1028 -2.077,1031 31.382,1032 33.332,1034 0.307,1035 0.585,1036 0.677,1037 0.769,1038 0.796,1039 0.796,1040 4.635,1041 0.66,1042 5.501,1043 3.118,1044 4.111,1045 4.71,1047 6.33,1048 4.084,1049 5.882,1050 -0.101,1051 7.091,1052 1.533,1053 3.892,1054 4.663,1056 7.29,1057 3.842,1058 7.21,1059 -0.225,1060 8.778,1061 -0.236,1062 5.733,1063 6.931,1065 10.382,1066 5.703,1067 8.571,1068 -0.515,1069 10.52,1070 -0.498,1071 6.256,1072 7.614,1074 12.119,1075 6.228,1076 9.958,1077 -0.515,1078 12.295,1079 -1.242,1080 7.644,1081 9.413,1083 14.768,1084 7.631,1085 11.365,1086 -1.148,1087 14.095,1088 -1.242,1089 8.497,1090 10.437,1092 16.838,1093 8.5,1094 12.787,1095 -1.154,1096 15.913,1097 -2.984,1098 9.718,1099 12.037,1101 19.319,1102 9.735,1103 3.154,1104 -1.359,1105 17.745,1106 -3.1,1107 10.72,1108 13.233,1110 21.539,1111 10.758,1112 2.845,1113 10.719,1114 19.589,1115 -3.689,1116 11.879,1117 14.736,1119 23.951,1120 11.932,1121 2.4,1122 9.166,1123 21.441,1124 4.12,1125 12.949,1126 16.023,1128 26.243,1129 13.025,1130 2.118,1131 6.785,1132 23.301,1133 3.9,1134 14.086,1135 17.478,1137 28.625,1138 14.179,1139 1.815,1140 5.927,1141 25.167,1142 3.22,1143 15.189,1144 18.815,1146 30.952,1147 15.304,1148 1.475,1149 5.024,1150 27.038,1151 2.809,1152 16.32,1153 20.244,1155 33.323,1156 16.454,1157 1.214,1158 3.855,1159 28.913,1160 2.403,1161 17.439,1162 21.61,1164 35.668,1165 17.595,1166 3383,1167 7042,1168 12.948,1169 20.534,1170 32.166,1171 33.769,1172 34.089,1173 31.554,1174 31.365,1175 42.452,1177 92.254,1178 30.822,1179 5.337,1180 5.86,1181 6.007,1182 5.171,1183 5.154,1184 7.12,1186 18.214,1187 5.206,1188 12.862,1189 1.532,1190 1.608,1191 1.623,1192 1.503,1193 1.494,1194 2.022,1196 4.393,1197 1.468,1198 3.988,1199 3.992,1200 3.956,1201 3.903,1202 7.497,1203 3.913,1204 3.866,1205 3.878,1206 3.82,1207 3.789,1208 7.352,1209 3.794,1210 3.413,1211 3.397,1212 3.386,1213 3.221,1214 6.497,1215 3.26,1216 2.995,1217 2.996,1218 2.933,1219 2.768,1220 6.487,1221 2.802,1222 2.942,1223 2.973,1224 2.83,1225 2.746,1226 6.445,1227 2.75,1228 2.909,1229 2.949,1230 2.785,1231 2.744,1232 6.445,1233 2.743,1234 2.725,1235 2.738,1236 2.61,1237 2.395,1238 4.452,1239 2.451,1240 2.398,1241 2.379,1242 2.323,1243 1.856,1244 4.419,1245 1.977,1246 0.214,1247 0.184,1248 0.32,1249 0.199,1250 0.15,1251 4.503,1252 0.196,1253 3.86,1255 6.722,1256 0.51,1257 4.171,1258 0.153,1259 3.154,1260 4.12,1262 10.719,1263 3.206,1264 1.926,1265 1.919,1266 1.996,1267 2.029,1268 1.086,1269 2.016,1270 1.841,1271 1.828,1272 1.931,1273 1.944,1274 1.017,1275 1.938,1276 1.284,1277 1.293,1278 1.343,1279 1.509,1280 0.306,1281 1.45,1282 0.883,1283 0.854,1284 1.143,1285 1.176,1286 0.163,1287 1.135,1288 0.883,1289 0.84,1290 1.139,1291 1.149,1292 0.152,1293 1.132,1294 0.854,1295 0.832,1296 1.003,1297 1.099,1299 1.086,1300 0.54,1301 0.532,1302 0.782,1303 0.962,1305 0.91,1306 0.095,1307 0.087,1308 0.576,1309 0.637,1311 0.603,1312 3.761,1314 5.094,1316 6.621,1318 8.237,1320 9.896,1327 37.322,1340 20.923,1341 45.175,1342 86.187,1343 99.697,1344 113.207,1345 117.207,1346 117.207,1347 67.764,1348 6.174,1349 115.06,1350 115.06,1351 12,1352 12.12,1353 3.907,1354 3.17,1355 36.321,1356 58,1357 56,1358 0.318,1359 130.835,1360 235.86,1361 310.997,1362 3037,1364 14.861,1365 0.743,1366 0.503,1367 14.861,1368 10.069,1369 9.397,1370 0.447,1371 0.263,1372 5.44,1373 8.993,1374 5.359,1375 4.419,1376 9.397,1377 5.529,1378 8.837,1379 0.295,1380 0.135,1381 8.837,1382 4.061,1383 7.176,1384 0.189,1385 0.07,1386 7.176,1387 2.658,1388 5.72,1389 0.124,1390 0.036,1391 5.72,1392 1.669,1393 3.863,1394 0.074,1395 0.019,1396 3.863,1397 1.009,1398 0.482,1399 59.845,1400 0.278,1401 19.631,1402 0.919,1403 102,1404 410.07,1405 114.622,1406 389.487,1407 498.64,1408 354,1409 119,1410 341.394,1411 131.07,1412 343.964,1413 498.78,1414 322,1415 4}
{0 CHEMBL192139,1 1.573,2 8.333,3 4.449,4 19.792,5 71.682,6 10.735,7 0.632,8 3.358,9 3.414,10 3.228,11 3.11,12 4.654,13 3.078,14 3.794,15 3.866,16 3.624,17 3.461,18 5.144,19 3.416,20 4.059,21 4.172,22 3.696,23 3.525,24 5.597,25 3.461,26 3.961,27 4.087,28 3.414,29 3.272,30 5.467,31 3.231,32 3.751,33 3.866,34 3.277,35 3.055,36 5.31,37 3.062,38 3.579,39 3.659,40 3.363,41 3.034,42 5.214,43 3,44 3.512,45 3.67,46 3.184,47 2.959,48 4.924,49 2.847,50 3.348,51 3.577,52 2.883,53 2.753,54 4.355,55 2.571,56 0.06,57 0.244,58 1.386,59 1.718,60 9.725,61 2.014,62 0.111,63 0.386,64 2.637,65 2.886,66 18.541,67 3.327,68 0.336,69 0.521,70 12.521,71 4.737,72 56.983,73 5.292,74 0.339,75 0.488,76 13.005,77 4.536,78 52.43,79 4.467,80 0.325,81 0.408,82 6.979,83 3.503,84 65.789,85 2.917,86 0.311,87 0.313,88 4.898,89 2.673,90 52.592,91 2.316,92 0.229,93 0.316,94 6.329,95 2.906,96 29.639,97 3.55,98 0.117,99 0.291,100 7.196,101 2.926,102 16.212,103 3.95,104 17,105 26,106 0.307,107 0.481,108 0.541,109 0.601,110 0.601,111 0.601,112 2.96,113 0.937,114 -5.16,115 -5.06,116 -4.73,121 53.8,144 8,145 2,146 2,159 2,176 8,180 2,187 12,191 1,192 6,200 9,206 8,214 6,219 4,227 8,232 2,239 8,244 2,251 6,264 4,277 4,281 360,282 11.776,283 11.776,284 11.776,285 11.776,286 11.776,287 10.103,288 4.95,289 6.868,290 12.001,291 9.301,292 9.301,293 9.301,294 9.301,295 9.301,296 6.769,297 1.871,298 3.247,299 9.741,300 3.127,301 2.231,302 1.923,303 1.615,304 1.615,305 1.615,306 3.609,308 2,311 1,312 1,313 310,314 2.828,318 125.198,325 1.259,326 26.096,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 38.667,338 150,339 4.394,340 3.837,341 6.527,342 4.076,343 3.045,344 3.947,346 10.029,347 3.136,348 4.024,349 3.031,350 5.723,351 3.58,352 2.607,353 3.639,355 7.669,356 2.543,357 3.743,358 2.908,359 5.078,360 3.248,361 2.338,362 3.182,364 6.147,365 2.076,366 3.451,367 2.844,368 4.967,369 2.993,370 2.083,371 2.759,373 5.807,374 1.798,375 2.905,376 1.976,377 4.414,378 2.402,379 1.414,380 2.012,382 3.932,383 1.329,384 2.5,385 1.943,386 3.414,387 2,388 1,389 1.5,391 2.275,392 1,393 2.5,394 1,395 3.414,396 2,397 1,398 1.5,400 2.275,401 1,402 2.293,403 1,404 3.27,405 1.641,406 0.565,407 0.884,409 1.3,410 0.574,411 1.115,412 0.472,413 2.321,414 0.614,415 -0.24,416 -0.302,418 -0.516,419 -0.16,420 1.114,421 0.44,422 2,423 0.588,424 -0.309,425 -0.423,427 -0.648,428 -0.218,429 0.5,430 -0.252,431 2,433 -1,434 -1.5,436 -2.902,437 -0.965,438 0.5,439 -0.758,440 1.795,442 -1,443 -1.5,445 -2.982,446 -0.973,447 0.263,448 -1,449 1.586,450 -0.197,451 -1.209,452 -1.539,454 -3,455 -1,456 0.009,457 -1,458 1.396,459 -0.43,460 -1.233,461 -1.577,463 -3,464 -1,465 -0.098,466 -1.056,467 1.224,468 -0.592,469 -1.414,470 -2,472 -3.564,473 -1.493,474 9.095,475 0.505,476 0.511,477 0.028,478 25.5,479 1.417,480 15,481 0.833,482 10.5,483 0.583,484 10.641,485 0.591,486 17.905,487 0.689,488 17.133,489 0.952,490 5.23,491 0.291,492 3.345,493 0.186,494 0.23,496 0.33,501 0.488,502 0.852,503 0.472,504 0.677,505 0.538,506 0.697,507 0.628,508 1.095,509 0.607,510 0.87,511 0.643,512 0.896,513 0.902,514 1.094,515 1.065,516 1.131,517 0.788,518 1.088,519 1.484,520 1.1,521 1.115,522 1.168,523 1.585,524 1.119,525 1.815,526 0.827,527 0.633,528 0.638,529 2.266,530 0.709,531 1.076,532 0.988,533 0.805,534 0.992,535 1.397,536 1.013,537 0.219,538 1.115,539 0.72,540 1.13,541 0.263,542 1.168,543 0.397,544 1.046,545 0.792,546 0.834,547 0.187,548 0.973,549 4,550 0.041,551 2.667,552 1.25,553 1.084,554 0.583,555 0.242,556 0.174,557 0.131,558 0.04,559 2639,560 11475,561 1.963,562 30.8,564 8,572 1.586,573 1.8,574 3.069,575 -0.763,582 40.908,583 1.573,584 2.47,585 2.777,586 3.085,587 3.085,588 3.085,589 2.503,590 2.725,591 4.141,592 3.132,593 479.12,594 7.023,595 4487.56,597 1,599 1,600 122.211,601 1.53,602 4.076,603 0.211,604 0.021,605 0.103,606 0.048,607 0.054,608 0.032,609 0.015,610 0.014,611 0.016,612 0.008,613 0.522,614 0.83,615 1,616 0.714,617 76.371,618 0.002,619 0.031,620 0.001,621 0.017,622 -0.054,623 0.019,624 -0.013,625 -0.2,626 -0.005,627 -0.11,628 -0.029,629 -0.12,630 0.027,631 -0.144,632 -0.143,633 -0.196,634 0.147,635 -0.15,636 -0.282,637 -0.098,638 -0.225,639 -0.177,640 -0.22,641 -0.153,642 -0.401,643 0.227,644 -0.004,645 0.334,646 -0.449,647 0.2,648 0.103,649 -0.023,651 -0.092,652 -0.071,653 -0.177,654 0.455,655 -0.143,656 0.204,657 -0.148,658 0.313,659 -0.091,660 0.165,661 -0.03,662 0.334,663 0.303,664 0.19,665 0.334,666 2.228,667 4.916,668 0.667,669 11.556,670 1.028,671 1.092,672 3.934,673 15.475,674 0.786,675 2.996,676 3.296,677 3.497,678 3.611,679 3.807,680 3.714,681 3.611,682 3.497,683 3.367,684 3.219,685 4.803,686 0.758,687 279.12,688 2.996,689 4.511,690 5.333,691 6.18,692 7.02,693 7.871,694 8.717,695 9.569,696 10.417,697 11.27,715 8,720 4,722 12,727 2,740 2,741 26,743 14,744 2,745 19,747 27,748 14,749 12,750 4,751 8,752 2,756 2,757 2,758 2,772 14,777 2,782 2,786 2,790 1,793 8,794 2,796 4,797 2,808 1,809 2,829 2,859 2,865 2,868 18,892 2,893 7.7,896 2,901 10,902 4.786,903 4,904 1.453,907 2.117,908 1.356,909 0.97,910 3.801,911 8.057,912 3.332,913 3.912,914 4.46,915 4.896,916 5.405,917 5.44,918 5.538,919 5.538,920 5.668,921 5.901,922 0.833,923 26,924 6.634,926 2.841,927 0.026,929 8.179,931 12.047,933 9.531,936 2.679,937 48.222,941 94.169,942 99.449,944 78.297,945 50.29,948 99.449,949 222.756,953 75.81,954 60.557,955 13.372,957 94.169,958 78.297,959 94.169,960 99.449,961 50.29,962 78.297,964 94.169,965 50.29,969 99.449,970 78.297,972 94.169,973 50.29,974 177.747,977 94.169,978 23.639,979 75.81,981 128.587,982 94.169,983 50.29,984 177.747,986 0.586,987 0.337,988 0.157,989 0.089,990 12,991 6,992 0.111,993 3,995 1,996 2.996,997 121.917,999 12,1000 49.059,1005 12.811,1006 5.34,1007 2.991,1009 50.29,1010 12.398,1015 1.676,1018 322.205,1019 27,1024 23.831,1028 -1.122,1031 26.72,1032 28.383,1034 0.335,1035 0.525,1036 0.591,1037 0.656,1038 0.656,1039 0.656,1040 4.533,1041 0.565,1042 5.323,1043 2.275,1044 3.97,1045 4.595,1047 6.089,1048 3.908,1049 5.751,1050 -0.24,1051 6.872,1052 1.3,1053 3.611,1054 4.369,1056 6.94,1057 3.472,1058 7.052,1059 -0.309,1060 8.52,1061 -0.516,1062 5.533,1063 6.759,1065 9.987,1066 5.469,1067 8.386,1068 -1,1069 10.223,1070 -0.648,1071 5.943,1072 7.282,1074 11.633,1075 5.88,1076 9.748,1077 -1,1078 11.962,1079 -2.902,1080 7.371,1081 9.162,1083 14.231,1084 7.355,1085 11.129,1086 -1.209,1087 13.727,1088 -2.982,1089 8.128,1090 10.035,1092 16.219,1093 8.158,1094 12.525,1095 -1.233,1096 15.512,1097 -3,1098 9.359,1099 11.685,1101 18.652,1102 9.424,1103 3.045,1104 -1.414,1105 17.312,1106 -3,1107 10.287,1108 12.748,1110 20.802,1111 10.41,1112 2.607,1113 10.029,1114 19.124,1115 -3.564,1116 11.435,1117 14.276,1119 23.166,1120 11.593,1121 2.338,1122 7.669,1123 20.946,1124 3.947,1125 12.449,1126 15.452,1128 25.393,1129 12.662,1130 2.083,1131 6.147,1132 22.777,1133 3.639,1134 13.565,1135 16.909,1137 27.726,1138 13.814,1139 1.414,1140 5.807,1141 24.615,1142 3.182,1143 14.624,1144 18.155,1146 29.991,1147 14.921,1148 1,1149 3.932,1150 26.458,1151 2.759,1152 15.729,1153 19.571,1155 32.309,1156 16.063,1157 1,1158 2.275,1159 28.307,1160 2.012,1161 16.811,1162 20.861,1164 34.594,1165 17.187,1166 2705,1167 5710,1168 12.137,1169 20.432,1170 28.882,1171 30.567,1172 29.824,1173 28.554,1174 28.104,1175 38.844,1177 78.867,1178 26.914,1179 5.215,1180 5.837,1181 5.942,1182 5.076,1183 5.045,1184 6.947,1186 17.155,1187 5.136,1188 9.899,1189 1.52,1190 1.609,1191 1.57,1192 1.503,1193 1.479,1194 2.044,1196 4.151,1197 1.417,1198 3.981,1199 3.992,1200 4.039,1201 3.92,1202 7.497,1203 3.918,1204 3.857,1205 3.878,1206 3.969,1207 3.814,1208 7.352,1209 3.803,1210 3.403,1211 3.387,1212 3.606,1213 3.252,1214 4.94,1215 3.275,1216 2.903,1217 2.925,1218 3.309,1219 2.822,1220 4.92,1221 2.81,1222 2.854,1223 2.925,1224 2.985,1225 2.735,1226 4.29,1227 2.715,1228 2.854,1229 2.904,1230 2.687,1231 2.735,1232 4.256,1233 2.715,1234 2.581,1235 2.592,1236 2.687,1237 2.428,1238 3.674,1239 2.429,1240 2.269,1241 2.224,1242 2.48,1243 1.832,1244 3.674,1245 1.92,1246 0.231,1247 0.202,1248 0.344,1249 0.215,1250 0.16,1251 4.394,1252 0.208,1253 3.837,1255 6.527,1256 0.528,1257 4.076,1258 0.165,1259 3.045,1260 3.947,1262 10.029,1263 3.136,1264 1.938,1265 1.925,1266 2.012,1267 2.017,1268 1.106,1269 2.019,1270 1.855,1271 1.835,1272 1.944,1273 1.92,1274 1.042,1275 1.937,1276 1.283,1277 1.293,1278 1.311,1279 1.469,1280 0.323,1281 1.424,1282 0.886,1283 0.823,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.832,1295 0.821,1296 0.935,1297 0.96,1298 0.069,1299 0.965,1300 0.478,1301 0.462,1302 0.676,1303 0.69,1305 0.705,1308 0.381,1309 0.44,1311 0.33,1312 3.664,1314 4.963,1316 6.46,1318 8.035,1320 9.647,1323 11.439,1340 19.719,1341 40.908,1342 64.211,1343 72.211,1344 80.211,1345 80.211,1346 80.211,1347 38.602,1348 5.94,1349 34.14,1350 34.14,1351 12,1352 11.827,1353 3.907,1354 3.17,1355 31.033,1356 51,1357 50,1358 0.306,1359 131.515,1360 231.12,1361 312.658,1362 2279,1363 7.7,1364 13.121,1365 0.729,1366 0.595,1367 14.121,1368 10.703,1369 8.575,1370 0.451,1371 0.312,1372 5.211,1373 7.831,1374 5.024,1375 4.144,1376 9.153,1377 5.935,1378 7.758,1379 0.298,1380 0.175,1381 8.575,1382 4.545,1383 6.438,1384 0.201,1385 0.091,1386 7.015,1387 2.923,1388 4.482,1389 0.124,1390 0.048,1391 4.815,1392 1.717,1393 3.565,1394 0.081,1395 0.028,1396 3.993,1397 1.223,1398 0.469,1399 58.958,1400 0.287,1401 18.097,1402 0.865,1403 90,1404 317.878,1405 125.246,1406 368.464,1407 465.46,1408 338,1409 103,1410 276.998,1411 127.279,1412 302.414,1413 437.92,1414 284,1415 4}
{0 CHEMBL19215,1 1.413,2 12.567,3 4.249,4 18.057,5 119.298,6 6.84,7 0.471,8 4.17,9 4.295,10 3.683,11 3.72,12 5.148,13 3.683,14 4.764,15 4.949,16 4.066,17 4.175,18 5.707,19 4.11,20 5.053,21 5.26,22 4.143,23 4.388,24 5.869,25 4.278,26 5.246,27 5.501,28 4.088,29 4.411,30 6.029,31 4.273,32 5.18,33 5.442,34 4,35 4.315,36 5.98,37 4.168,38 5.116,39 5.381,40 3.876,41 4.174,42 5.993,43 4.032,44 4.955,45 5.232,46 3.713,47 4.013,48 5.801,49 3.873,50 4.82,51 5.08,52 3.557,53 3.88,54 5.708,55 3.736,56 0.045,57 0.855,58 13.443,59 5.653,60 8.722,61 7.783,62 0.422,63 1.459,64 26.038,65 9.605,66 35.262,67 13.651,68 0.199,69 1.873,70 34.555,71 13.887,72 24.737,73 19.608,74 0.441,75 2.124,76 44.007,77 15.819,78 48.672,79 22.732,80 0.338,81 1.966,82 41.108,83 15.096,84 40.262,85 21.762,86 0.535,87 1.787,88 39.573,89 13.163,90 61.147,91 19.038,92 0.345,93 1.534,94 33.554,95 11.086,96 42.729,97 16.263,98 0.351,99 1.295,100 29.354,101 10.163,102 43.755,103 14.256,104 10,105 49,106 0.229,107 0.563,108 0.771,109 0.854,110 0.878,111 0.878,112 3.441,113 0.954,114 -4.1,115 -4.04,116 -3.83,121 42.4,123 2,124 2,126 2,127 3,129 1,144 8,145 4,153 1,154 1,161 1,176 15,179 1,180 7,183 2,185 1,187 17,192 8,197 1,200 14,206 9,209 1,211 2,214 9,218 1,219 7,224 3,227 4,231 2,232 6,237 5,239 2,244 3,249 3,251 3,256 7,259 1,261 1,264 5,269 6,277 6,281 1454,282 20.516,283 20.516,284 20.516,285 20.516,286 20.516,287 18.44,288 25.493,289 12.036,290 20.877,291 16.82,292 16.82,293 16.82,294 16.82,295 16.82,296 13.651,297 30.999,298 5.776,299 17.366,300 4.47,301 2.407,302 1.123,303 0.615,304 0.466,305 0.466,306 4.153,311 1,312 1,313 849,314 3.464,317 53.978,318 274.692,321 185.286,322 196.711,323 113.424,325 1.862,326 19.4,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 63.5,338 377,339 4.748,340 3.646,341 7.076,342 4.367,343 3.383,344 4.701,345 2.204,346 12.249,347 3.332,348 4.081,349 3.543,350 6.501,351 3.905,352 2.944,353 3.448,354 0.814,355 10.118,356 2.831,357 3.91,358 3.082,359 5.763,360 3.537,361 2.564,362 3.329,363 0.8,364 7.628,365 2.502,366 3.661,367 2.761,368 5.437,369 3.376,370 2.405,371 2.866,372 0.141,373 7.05,374 2.328,375 3.598,376 2.624,377 5.367,378 3.296,379 2.332,380 2.819,382 6.936,383 2.246,384 3.436,385 2.389,386 5.286,387 3.148,388 2.173,389 2.711,391 6.386,392 2.089,393 3.162,394 2.171,395 4.955,396 2.945,397 1.969,398 2.193,400 5.847,401 1.913,402 2.913,403 1.82,404 4.829,405 2.636,406 1.682,407 2.075,409 4.966,410 1.599,411 2.89,412 1.746,413 4.279,414 2.484,415 1.492,416 1.964,418 3.475,419 1.477,420 2.678,421 1.364,422 3.754,423 2.228,424 1.239,425 1.757,427 3.142,428 1.225,429 2.5,430 1.261,431 3.636,432 2.166,433 1.195,434 1.5,436 2.906,437 1.157,438 2.466,439 1.233,440 3.439,441 2,442 1,443 1.461,445 2.136,446 1,447 1.887,448 1.153,449 3.247,450 1.721,451 0.809,452 0.856,454 1.932,455 0.731,456 1.695,457 1,458 3.127,459 1.404,460 0.445,461 0.514,463 1.105,464 0.422,465 1.378,466 0.411,467 2.864,468 1.16,469 0.181,470 0.205,472 0.443,473 0.175,474 14.367,475 0.479,476 0.747,477 0.025,478 35.25,479 1.175,480 15.5,481 0.517,482 19.75,483 0.658,484 29.008,485 0.967,486 32.433,487 0.55,488 25.663,489 0.855,490 6.83,491 0.228,492 7.768,493 0.259,494 0.093,496 0.369,501 0.801,502 1.358,503 0.847,504 1.126,505 0.593,506 1.008,507 0.886,508 0.92,509 0.956,510 0.856,511 0.492,512 0.892,513 0.786,514 1.22,515 1.046,516 1.189,517 0.67,518 1.152,519 1.11,520 0.987,521 1.063,522 0.994,523 1.009,524 1.017,525 0.913,526 1.098,527 0.995,528 1.089,529 0.821,530 1.058,531 1.372,532 1.021,533 1.084,534 0.972,535 1.606,536 0.995,537 1.263,538 0.948,539 1.025,540 0.935,541 1.288,542 0.94,543 1.534,544 0.956,545 1.117,546 1.007,547 1.753,548 1.021,549 5.5,550 0.209,551 3.111,552 2.229,553 1.994,554 1.004,555 0.566,556 0.464,557 0.199,558 0.186,559 13211,560 28291,561 2.165,562 49.2,563 2,564 21,565 1,567 1,569 3,570 1,572 1.725,573 2.045,574 3.561,575 -0.415,577 1,582 83.343,583 1.413,584 3.476,585 4.76,586 5.268,587 5.416,588 5.416,589 3.041,590 4.548,591 4.876,592 3.757,593 1634.08,594 8.487,595 22845.7,597 1,600 347.076,601 1.347,602 4.848,603 0.162,604 0.008,605 0.063,606 0.044,607 0.043,608 0.024,609 0.016,610 0.015,611 0.008,612 0.007,613 0.392,614 0.5,615 0.88,616 0.496,617 155.066,618 0.008,619 -0.164,620 0.079,621 -0.046,622 -0.003,623 0.013,624 0.161,625 0.223,626 0.018,627 0.15,628 0.168,629 0.084,630 -0.038,631 -0.166,632 -0.105,633 -0.157,634 -0.03,635 -0.142,636 -0.089,637 0.003,638 -0.074,639 -0.025,640 -0.076,641 -0.044,642 0.013,643 -0.131,644 -0.014,645 -0.114,646 0.036,647 -0.075,648 -0.034,649 -0.063,650 -0.057,651 -0.035,652 -0.093,653 -0.05,654 -0.089,655 0.023,656 -0.008,657 -0.006,658 -0.016,659 0.007,660 -0.113,661 -0.024,662 -0.088,663 -0.055,664 -0.129,665 -0.068,666 2,667 5.194,668 0.733,669 30.862,670 0.991,671 1.124,672 2.867,673 8.217,674 0.658,675 3.555,676 3.912,677 4.234,678 4.575,679 4.883,680 5.024,681 5.263,682 5.451,683 5.568,684 5.624,685 7.263,686 0.616,687 403.57,688 3.555,689 5.118,690 5.994,691 6.899,692 7.799,693 8.714,694 9.627,695 10.55,696 11.472,697 12.401,698 5.1,701 1,705 1,706 1,714 2,715 9,720 3,721 1,722 16,741 59,743 17,744 2,745 34,747 63,748 25,749 14,750 4,751 8,756 5,757 13,767 3,768 2,770 3,772 15,773 10,774 2,777 1,782 1,786 1,790 1,793 29,794 4,795 1,796 5,802 3,808 0.4,809 2,824 1,828 1,829 4,832 2,833 2,834 1,855 1,856 1,859 2,864 2,868 30,876 5,877 1,878 1,880 3,881 1,893 3.4,896 1,898 1,901 14.667,902 10.983,903 6.444,904 3.586,907 2.878,908 1.341,909 0.999,910 5.298,911 11.309,912 3.784,913 4.379,914 4.965,915 5.577,916 6.106,917 6.382,918 6.818,919 7.203,920 7.38,921 7.562,922 1,923 51,924 11.152,926 4.818,927 0.026,929 7.517,931 22.065,933 19.147,936 2.017,937 60.5,939 1,940 1,941 329.591,942 136.559,943 23.034,945 36.145,948 136.559,949 365.736,950 23.034,951 16.793,952 31.884,953 84.857,954 25.145,955 28.153,956 20.678,957 317.82,959 329.591,960 159.593,961 36.145,964 282.506,965 83.229,968 36.907,969 122.686,972 329.591,973 59.179,974 136.559,977 329.591,978 34.909,979 106.674,980 18.011,981 36.145,982 329.591,983 59.179,984 136.559,986 0.587,987 0.346,988 0.195,989 0.113,990 26,991 11,992 0.079,993 5,994 4,995 1.318,996 4.215,997 279.356,998 0.364,999 21,1000 143.207,1005 19.652,1006 8.087,1007 3.78,1008 2.777,1009 57.28,1010 18.802,1015 3.946,1016 2.257,1017 18.011,1018 525.329,1019 43,1024 12.194,1028 -0.334,1031 58.447,1032 66.311,1034 0.24,1035 0.591,1036 0.809,1037 0.896,1038 0.921,1039 0.921,1040 5.05,1041 1.682,1042 5.989,1043 5.847,1044 4.595,1045 5.066,1046 2.457,1047 6.843,1048 4.536,1049 6.244,1050 1.492,1051 7.568,1052 4.966,1053 4.205,1054 4.879,1055 1.847,1056 7.813,1057 4.123,1058 7.553,1059 1.239,1060 9.249,1061 3.475,1062 6.221,1063 7.248,1064 3.574,1065 10.98,1066 6.112,1067 8.895,1068 1.195,1069 10.992,1070 3.142,1071 6.661,1072 7.952,1073 3.598,1074 12.833,1075 6.532,1076 10.275,1077 1,1078 12.776,1079 2.906,1080 8.152,1081 9.816,1082 4.979,1083 15.537,1084 8.004,1085 11.682,1086 0.809,1087 14.591,1088 2.136,1089 8.994,1090 10.971,1091 5.315,1092 17.77,1093 8.83,1094 13.114,1095 0.445,1096 16.43,1097 1.932,1098 10.284,1099 12.636,1100 6.47,1101 20.325,1102 10.105,1103 3.383,1104 0.181,1105 18.287,1106 1.105,1107 11.32,1108 14.009,1109 6.979,1110 22.714,1111 11.128,1112 2.944,1113 12.249,1114 20.159,1115 0.443,1116 12.539,1117 15.598,1118 7.996,1119 25.224,1120 12.334,1121 2.564,1122 10.118,1123 22.045,1124 4.701,1125 13.665,1126 17.07,1127 8.61,1128 27.675,1129 13.448,1130 2.405,1131 7.628,1132 23.941,1133 3.448,1134 14.865,1135 18.63,1136 9.542,1137 30.173,1138 14.636,1139 2.332,1140 7.05,1141 25.845,1142 3.329,1143 16.033,1144 20.145,1145 10.221,1146 32.651,1147 15.793,1148 2.173,1149 6.936,1150 27.757,1151 2.866,1152 17.231,1153 21.696,1154 11.1,1155 35.147,1156 16.979,1157 1.969,1158 6.386,1159 29.675,1160 2.819,1161 18.42,1162 23.229,1163 11.821,1164 37.637,1165 18.156,1166 12145,1167 17868,1168 23.175,1169 38.824,1170 52.069,1171 52.851,1172 52.687,1173 51.626,1174 51.631,1175 64.798,1176 7.916,1177 152.639,1178 50.055,1179 5.748,1180 5.646,1181 6.878,1182 5.438,1183 5.383,1184 7.701,1185 3.951,1186 19.95,1187 5.332,1188 12.274,1189 1.531,1190 1.554,1191 1.55,1192 1.518,1193 1.519,1194 1.906,1195 0.233,1196 4.489,1197 1.472,1198 4.196,1199 4.229,1200 4.154,1201 4.121,1202 7.435,1203 4.125,1204 3.914,1205 3.946,1206 3.84,1207 3.846,1208 4.923,1209 3.84,1210 3.838,1211 3.896,1212 3.737,1213 3.696,1214 4.774,1215 3.697,1216 3.552,1217 3.602,1218 3.478,1219 3.367,1220 4.411,1221 3.362,1222 3.475,1223 3.533,1224 3.37,1225 3.3,1226 4.333,1227 3.323,1228 3.328,1229 3.374,1230 3.198,1231 3.112,1232 4.276,1233 3.135,1234 3.241,1235 3.329,1236 3.058,1237 3.032,1238 3.997,1239 3.025,1240 3.094,1241 3.174,1242 2.928,1243 2.9,1244 3.881,1245 2.899,1246 0.14,1247 0.107,1248 0.208,1249 0.128,1250 0.099,1251 4.748,1252 0.138,1253 3.646,1254 0.065,1255 7.076,1256 0.36,1257 4.367,1258 0.098,1259 3.383,1260 4.701,1261 2.204,1262 12.249,1263 3.332,1264 2.046,1265 2.021,1266 2.156,1267 2.136,1268 1.545,1269 2.145,1270 1.904,1271 1.876,1272 2.033,1273 1.995,1274 1.215,1275 2.008,1276 1.79,1277 1.739,1278 1.946,1279 1.955,1280 1.132,1281 1.955,1282 1.625,1283 1.568,1284 1.815,1285 1.818,1286 1.032,1287 1.819,1288 1.389,1289 1.325,1290 1.656,1291 1.679,1292 0.785,1293 1.664,1294 1.268,1295 1.215,1296 1.549,1297 1.523,1298 0.726,1299 1.525,1300 1.209,1301 1.118,1302 1.503,1303 1.439,1304 0.654,1305 1.481,1306 1.138,1307 1.077,1308 1.416,1309 1.345,1310 0.612,1311 1.372,1312 4.234,1314 5.58,1315 2.398,1316 7.127,1317 4.844,1318 8.775,1319 7.05,1320 10.486,1322 4.369,1328 4.161,1329 2.995,1330 5.382,1332 1.46,1333 2.491,1340 36.342,1341 83.343,1342 205.081,1343 280.811,1344 310.811,1345 319.566,1346 319.566,1347 42.842,1348 8.43,1349 46.5,1350 46.5,1351 29,1352 12.905,1353 4.17,1354 3.322,1355 41.87,1356 131,1357 144,1358 0.155,1359 218.568,1360 376.02,1361 525.066,1362 59819,1364 20.665,1365 0.689,1366 0.589,1367 20.665,1368 17.675,1369 14.597,1370 0.429,1371 0.318,1372 10.682,1373 14.127,1374 10.365,1375 8.578,1376 14.597,1377 10.815,1378 13.451,1379 0.275,1380 0.181,1381 13.451,1382 8.869,1383 11.59,1384 0.17,1385 0.101,1386 11.59,1387 6.866,1388 10.141,1389 0.106,1390 0.057,1391 10.141,1392 5.481,1393 8.837,1394 0.067,1395 0.032,1396 8.837,1397 4.255,1398 0.248,1399 90.843,1400 0.208,1401 28.549,1402 0.415,1403 166,1404 397.094,1405 177.973,1406 385.792,1407 536.83,1408 364,1409 200,1410 398.711,1411 212.311,1412 409.136,1413 601.66,1414 383,1415 5.872}
{0 CHEMBL192180,1 1.476,2 7.647,3 3.784,4 14.322,5 66.878,6 9.411,7 0.667,8 3.346,9 3.416,10 3.108,11 3.071,12 4.62,13 3.039,14 3.779,15 3.869,16 3.458,17 3.406,18 5.081,19 3.36,20 4.037,21 4.176,22 3.528,23 3.453,24 5.53,25 3.393,26 3.944,27 4.09,28 3.297,29 3.213,30 5.42,31 3.179,32 3.744,33 3.867,34 3.162,35 3.013,36 5.298,37 3.022,38 3.558,39 3.663,40 3.1,41 2.972,42 5.074,43 2.927,44 3.489,45 3.673,46 2.86,47 2.892,48 4.718,49 2.761,50 3.325,51 3.58,52 2.496,53 2.637,54 4.211,55 2.436,56 0.027,57 0.255,58 2.772,59 2.012,60 5.774,61 2.367,62 0.051,63 0.405,64 4.981,65 3.29,66 11.623,67 3.837,68 0.231,69 0.547,70 11.954,71 4.904,72 45.963,73 5.751,74 0.224,75 0.505,76 11.965,77 4.521,78 39.408,79 4.672,80 0.25,81 0.412,82 8.04,83 3.443,84 54.272,85 2.908,86 0.223,87 0.326,88 6.251,89 2.774,90 41.975,91 2.532,92 0.147,93 0.329,94 6.948,95 2.982,96 22.049,97 3.718,98 0.067,99 0.299,100 7.159,101 2.88,102 10.716,103 3.988,104 10,105 24,106 0.288,107 0.444,108 0.547,109 0.701,110 0.766,111 0.781,112 2.908,113 0.91,114 -4.65,115 -4.57,116 -4.29,121 53.8,144 9,145 2,146 1,159 2,176 10,180 2,187 12,191 1,192 6,200 8,206 8,214 5,219 5,227 8,232 2,239 9,244 1,251 7,264 4,277 2,281 311,282 11.328,283 11.328,284 11.328,285 11.328,286 11.328,287 9.68,288 3.349,289 6.782,290 11.417,291 8.835,292 8.835,293 8.835,294 8.835,295 8.835,296 6.364,297 1.23,298 3.21,299 8.998,300 3.224,301 2.425,302 1.896,303 1.106,304 0.769,305 0.692,306 3.558,308 1,311 1,312 1,313 270,314 2.739,318 116.362,325 1.197,326 22.634,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 36.333,338 130,339 4.388,340 3.837,341 6.526,342 4.073,343 3.04,344 3.93,346 10.025,347 3.135,348 3.982,349 3.012,350 5.712,351 3.549,352 2.565,353 3.573,355 7.619,356 2.531,357 3.627,358 2.871,359 5.029,360 3.152,361 2.221,362 3.032,364 5.991,365 2.018,366 3.183,367 2.163,368 4.504,369 2.708,370 1.712,371 2.431,373 4.285,374 1.654,375 2.722,376 1.958,377 3.643,378 2.223,379 1.213,380 1.768,382 2.844,383 1.202,384 2.5,385 1.323,386 3.414,387 2,388 1,389 1.5,391 2.275,392 1,393 2.5,394 1,395 3.247,396 2,397 1,398 1.5,400 2.136,401 1,402 2.242,403 1,404 3.11,405 1.585,406 0.49,407 0.792,409 1.121,410 0.519,411 1.114,412 0.457,413 2.24,414 0.601,415 -0.276,416 -0.362,418 -0.585,419 -0.19,420 0.75,421 -0.18,422 2,423 0.28,424 -0.751,425 -1.097,427 -1.609,428 -0.77,429 0.5,430 -0.638,431 1.707,433 -1,434 -1.5,436 -2.347,437 -0.969,438 0.5,439 -0.997,440 1.555,442 -1,443 -1.5,445 -2.938,446 -1,447 0.229,448 -1,449 1.445,450 -0.218,451 -1.219,452 -1.56,454 -3,455 -1,456 -0.048,457 -1,458 1.233,459 -0.494,460 -1.381,461 -2,463 -3.504,464 -1.49,465 -0.37,466 -1.524,467 1,468 -0.722,469 -1.688,470 -2.217,472 -4.789,473 -1.719,474 8.381,475 0.493,476 0.404,477 0.024,478 24.75,479 1.456,480 15,481 0.882,482 9.75,483 0.574,484 8.999,485 0.529,486 16.819,487 0.647,488 16.253,489 0.956,490 5.158,491 0.303,492 3.024,493 0.178,494 0.165,496 0.298,501 0.472,502 0.856,503 0.517,504 0.755,505 0.525,506 0.752,507 0.607,508 1.1,509 0.665,510 0.971,511 0.645,512 0.967,513 0.799,514 1.084,515 0.965,516 1.087,517 0.734,518 1.028,519 1.507,520 1.074,521 1.046,522 1.082,523 1.557,524 1.01,525 2.056,526 0.822,527 0.777,528 0.698,529 2.326,530 0.741,531 1.359,532 0.976,533 0.956,534 0.975,535 1.577,536 1.053,537 0.354,538 1.099,539 0.839,540 1.118,541 0.409,542 1.203,543 0.272,544 1.074,545 0.834,546 0.973,547 0.154,548 1.093,549 3,550 0.012,551 2.222,552 1.188,553 0.893,554 0.472,555 0.162,556 0.111,557 0.082,558 0.03,559 2254,560 8190,561 1.994,562 34.6,564 9,572 1.569,573 1.855,574 2.969,575 -0.807,579 1,582 38.379,583 1.476,584 2.275,585 2.805,586 3.594,587 3.931,588 4.008,589 2.469,590 3.617,591 4.06,592 3.028,593 411.774,594 6.863,595 3692.51,597 1,599 1,600 122.211,601 1.447,602 4.01,603 0.167,604 0.012,605 0.093,606 0.049,607 0.047,608 0.028,609 0.012,610 0.011,611 0.014,612 0.01,613 0.442,614 0.83,615 1,616 0.682,617 70.192,618 0.001,619 0.031,620 0.004,621 0.023,622 -0.053,623 0.023,624 -0.005,625 -0.202,626 -0.028,627 -0.15,628 -0.041,629 -0.149,630 0.132,631 -0.133,632 -0.036,633 -0.144,634 0.203,635 -0.083,636 -0.204,637 -0.085,638 -0.121,639 -0.11,640 -0.144,641 -0.063,642 -0.402,643 0.199,644 -0.054,645 0.246,646 -0.401,647 0.13,648 -0.087,649 -0.016,650 -0.119,651 -0.065,652 -0.206,653 -0.204,654 0.247,655 -0.135,656 0.081,657 -0.14,658 0.127,659 -0.156,660 0.157,661 -0.074,662 0.262,663 0.112,664 0.149,665 0.132,666 2.187,667 4.864,668 0.706,669 9.875,670 1.015,671 1.094,672 3.416,673 11.672,674 0.753,675 2.944,676 3.219,677 3.434,678 3.555,679 3.714,680 3.555,681 3.497,682 3.367,683 3.219,684 3.045,685 4.521,686 0.727,687 244.68,688 2.944,689 4.443,690 5.263,691 6.103,692 6.94,693 7.785,694 8.629,695 9.476,696 10.322,697 11.171,715 9,720 3,722 12,727 2,740 1,741 26,743 14,744 2,745 18,747 27,748 14,749 12,750 3,751 9,752 2,756 2,757 2,758 1,772 14,777 2,782 2,786 2,790 1,793 9,794 2,796 3,797 1,808 1,809 2,829 2,859 2,865 1,868 17,892 1,893 7.7,896 2,901 9.167,902 4.726,903 3.833,904 1.473,907 2.11,908 1.363,909 0.972,910 3.359,911 7.921,912 3.296,913 3.85,914 4.407,915 4.844,916 5.327,917 5.273,918 5.455,919 5.455,920 5.558,921 5.768,922 1,923 24,924 6.275,926 2.67,927 0.026,929 8.114,931 11.486,933 9.054,936 2.614,937 44.444,938 0.001,941 105.94,942 105.425,944 39.149,945 50.29,948 105.425,949 195.378,953 85.286,954 60.557,955 9.872,957 105.94,958 39.149,959 105.94,960 105.425,961 50.29,962 39.149,964 105.94,965 50.29,969 105.425,970 39.149,972 105.94,973 50.29,974 144.574,977 105.94,978 20.139,979 85.286,981 89.438,982 105.94,983 50.29,984 144.574,986 0.576,987 0.336,988 0.164,989 0.088,990 11,991 5,992 0.111,993 3,995 1,996 2.928,997 112.102,999 12,1000 61.487,1005 11.56,1006 4.94,1007 2.605,1009 50.29,1010 14.762,1015 1.282,1018 300.803,1019 26,1024 23.711,1028 -1.027,1031 26.396,1032 28.439,1034 0.314,1035 0.484,1036 0.597,1037 0.765,1038 0.836,1039 0.853,1040 4.477,1041 0.49,1042 5.231,1043 2.136,1044 3.892,1045 4.533,1047 5.989,1048 3.875,1049 5.678,1050 -0.276,1051 6.77,1052 1.121,1053 3.434,1054 4.182,1056 6.83,1057 3.395,1058 6.966,1059 -0.751,1060 8.414,1061 -0.585,1062 5.434,1063 6.671,1065 9.909,1066 5.436,1067 8.291,1068 -1,1069 10.121,1070 -1.609,1071 5.802,1072 7.118,1074 11.579,1075 5.837,1076 9.646,1077 -1,1078 11.869,1079 -2.347,1080 7.273,1081 9.063,1083 14.187,1084 7.33,1085 11.025,1086 -1.219,1087 13.644,1088 -2.938,1089 8.019,1090 9.889,1092 16.192,1093 8.133,1094 12.421,1095 -1.381,1096 15.44,1097 -3,1098 9.272,1099 11.579,1101 18.629,1102 9.406,1103 3.04,1104 -1.688,1105 17.25,1106 -3.504,1107 10.201,1108 12.613,1110 20.786,1111 10.394,1112 2.565,1113 10.025,1114 19.072,1115 -4.789,1116 11.361,1117 14.165,1119 23.152,1120 11.58,1121 2.221,1122 7.619,1123 20.903,1124 3.93,1125 12.379,1126 15.322,1128 25.383,1129 12.65,1130 1.712,1131 5.991,1132 22.741,1133 3.573,1134 13.502,1135 16.794,1137 27.716,1138 13.804,1139 1.213,1140 4.285,1141 24.584,1142 3.032,1143 14.564,1144 18.028,1146 29.983,1147 14.911,1148 1,1149 2.844,1150 26.433,1151 2.431,1152 15.674,1153 19.452,1155 32.301,1156 16.054,1157 1,1158 2.275,1159 28.286,1160 1.768,1161 16.758,1162 20.733,1164 34.586,1165 17.179,1166 2302,1167 4466,1168 11.731,1169 19.574,1170 27.177,1171 28.881,1172 27.703,1173 26.759,1174 26.485,1175 37.053,1177 72.59,1178 26.12,1179 5.207,1180 5.837,1181 6.328,1182 5.073,1183 5.04,1184 6.93,1186 17.148,1187 5.135,1188 8.034,1189 1.51,1190 1.604,1191 1.539,1192 1.487,1193 1.471,1194 2.058,1196 4.033,1197 1.451,1198 3.978,1199 3.992,1200 4.017,1201 3.914,1202 7.497,1203 3.914,1204 3.853,1205 3.878,1206 3.85,1207 3.804,1208 7.352,1209 3.795,1210 3.398,1211 3.388,1212 3.506,1213 3.237,1214 4.931,1215 3.263,1216 2.89,1217 2.925,1218 3.129,1219 2.789,1220 4.723,1221 2.782,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 4.273,1227 2.715,1228 2.854,1229 2.906,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 2.564,1235 2.595,1236 2.648,1237 2.387,1238 3.674,1239 2.394,1240 2.261,1241 2.225,1242 2.27,1243 1.804,1244 3.581,1245 1.901,1246 0.244,1247 0.213,1248 0.363,1249 0.226,1250 0.169,1251 4.388,1252 0.218,1253 3.837,1255 6.526,1256 0.557,1257 4.073,1258 0.174,1259 3.04,1260 3.93,1262 10.025,1263 3.135,1264 1.94,1265 1.925,1266 2.034,1267 2.023,1268 1.107,1269 2.027,1270 1.858,1271 1.834,1272 1.962,1273 1.93,1274 1.044,1275 1.947,1276 1.288,1277 1.292,1278 1.351,1279 1.482,1280 0.353,1281 1.439,1282 0.886,1283 0.821,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.845,1295 0.821,1296 1.013,1297 0.995,1298 0.114,1299 1.005,1300 0.49,1301 0.46,1302 0.72,1303 0.725,1305 0.738,1308 0.381,1309 0.452,1311 0.343,1312 3.611,1314 4.89,1316 6.378,1318 7.948,1320 9.555,1323 5.717,1340 18.891,1341 38.379,1342 59.153,1343 72.927,1344 93.457,1345 102.211,1346 104.211,1347 33.29,1348 5.811,1349 34.14,1350 34.14,1351 12,1352 11.73,1353 3.907,1354 3.17,1355 28.417,1356 45,1357 45,1358 0.316,1359 123.183,1360 215.91,1361 292.326,1362 1932,1363 3.8,1364 12.251,1365 0.721,1366 0.567,1367 12.751,1368 9.647,1369 8.182,1370 0.455,1371 0.303,1372 5.081,1373 7.746,1374 4.93,1375 4.096,1376 8.47,1377 5.457,1378 7.136,1379 0.297,1380 0.165,1381 7.545,1382 3.968,1383 6.027,1384 0.201,1385 0.087,1386 6.316,1387 2.601,1388 4.33,1389 0.127,1390 0.046,1391 4.497,1392 1.579,1393 3.348,1394 0.084,1395 0.027,1396 3.562,1397 1.064,1398 0.48,1399 53.419,1400 0.292,1401 17.132,1402 0.905,1403 84,1404 283.674,1405 103.727,1406 306.372,1407 394.11,1408 282,1409 96,1410 250.135,1411 110.52,1412 265.904,1413 384.66,1414 250,1415 4}
{0 CHEMBL19224,1 1.465,2 10.04,3 3.504,4 12.277,5 95.518,6 7.379,7 0.63,8 3.926,9 4.018,10 3.489,11 3.43,12 5.065,13 3.426,14 4.44,15 4.596,16 3.787,17 3.765,18 5.477,19 3.757,20 4.517,21 4.638,22 3.941,23 3.938,24 5.627,25 3.912,26 4.688,27 4.85,28 3.886,29 4.004,30 5.706,31 3.936,32 4.828,33 5.042,34 3.769,35 3.986,36 5.763,37 3.889,38 4.694,39 4.914,40 3.65,41 3.901,42 5.614,43 3.781,44 4.663,45 4.926,46 3.542,47 3.772,48 5.528,49 3.648,50 4.473,51 4.715,52 3.438,53 3.55,54 5.404,55 3.471,56 0.023,57 0.59,58 9.462,59 4.528,60 8.695,61 5.459,62 0.331,63 0.908,64 18.712,65 6.925,66 25.779,67 8.358,68 0.356,69 1.048,70 18.521,71 7.847,72 23.542,73 9.695,74 0.179,75 1.219,76 22.651,77 9.552,78 24.337,79 12.21,80 0.526,81 1.318,82 29.086,83 10.36,84 43.29,85 13.557,86 0.342,87 1.187,88 24.615,89 9.657,90 31.71,91 13.101,92 0.306,93 1.126,94 25.104,95 9.142,96 33.064,97 12.907,98 0.266,99 0.914,100 20.723,101 7.033,102 28.548,103 9.573,104 33,105 37,106 0.252,107 0.521,108 0.626,109 0.706,110 0.744,111 0.773,112 3.267,113 0.878,114 -3.67,115 -3.64,116 -3.47,121 43.5,123 1,126 4,144 6,145 3,146 4,147 1,148 1,176 8,180 7,187 9,191 2,192 11,200 7,206 9,214 6,218 1,219 4,227 7,231 2,232 3,239 6,243 1,244 6,251 2,256 7,268 1,269 3,281 893,282 17.359,283 17.359,284 17.359,285 17.359,286 17.359,287 15.375,288 21.741,289 10.061,290 18.11,291 13.067,292 13.067,293 13.067,294 13.067,295 13.067,296 9.833,297 27.482,298 4.395,299 13.882,300 4.058,301 2.488,302 1.881,303 1.413,304 1.196,305 1.022,306 3.95,310 1,311 1,312 1,313 526,314 3,318 202.257,322 107.456,325 1.408,326 18.144,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 54.5,338 251,339 4.575,340 3.312,341 6.585,342 4.114,343 3.134,344 4.513,345 0.86,346 10.528,347 3.074,348 4.265,349 3.208,350 6.167,351 3.852,352 2.898,353 3.911,354 0.86,355 9.138,356 2.765,357 3.989,358 2.985,359 6.039,360 3.589,361 2.648,362 3.492,363 0.86,364 8.64,365 2.478,366 3.592,367 2.534,368 5.387,369 3.232,370 2.259,371 2.946,372 0.86,373 6.933,374 2.186,375 3.344,376 2.229,377 5.027,378 2.892,379 1.919,380 2.692,381 0.68,382 5.806,383 1.864,384 2.999,385 2.178,386 4.49,387 2.524,388 1.612,389 2.221,391 4.382,392 1.473,393 2.919,394 1.931,395 4.359,396 2.515,397 1.587,398 2.057,400 4.105,401 1.46,402 2.693,403 1.471,404 3.887,405 2.276,406 1.348,407 1.753,409 3.079,410 1.241,411 1.966,412 1.137,413 3.25,414 1.664,415 0.755,416 0.886,418 1.532,419 0.679,420 1.853,421 1,422 3.037,423 1.526,424 0.621,425 0.743,427 1.176,428 0.557,429 1.522,430 0.943,431 2.828,432 1.228,433 0.375,434 0.412,436 0.525,437 0.316,438 1.48,439 0.925,440 2.771,441 1.215,442 0.36,443 0.393,445 0.494,446 0.305,447 1.285,448 0.392,449 2.505,450 0.974,451 0.034,452 0.041,454 0.068,455 0.032,456 0.923,457 0.037,458 2.411,459 0.536,460 -0.399,461 -0.494,463 -0.757,464 -0.366,465 0.911,466 -0.16,467 2.32,468 0.47,469 -0.47,470 -0.619,472 -0.982,473 -0.436,474 11.733,475 0.469,476 0.478,477 0.019,478 34,479 1.36,480 18,481 0.72,482 16,483 0.64,484 18.412,485 0.736,486 27.267,487 0.593,488 25.348,489 1.014,490 7.24,491 0.29,492 4.953,493 0.198,494 0.17,496 0.341,501 0.876,502 1.309,503 0.773,504 1.219,505 0.834,506 1.017,507 1.515,508 0.741,509 0.878,510 0.645,511 1.296,512 0.639,513 0.885,514 1.103,515 0.941,516 1.055,517 0.854,518 1.011,519 0.916,520 1.348,521 1.081,522 1.309,523 0.937,524 1.241,525 1.208,526 0.944,527 1.139,528 0.936,529 1.239,530 1.01,531 0.694,532 1.089,533 1.021,534 1.115,535 0.818,536 1.133,537 0.625,538 0.936,539 0.812,540 0.935,541 0.685,542 0.911,543 1.036,544 0.93,545 0.901,546 0.928,547 0.959,548 0.882,549 5,550 0.144,551 2.889,552 1.625,553 1.871,554 0.799,555 0.504,556 0.398,557 0.25,558 0.193,559 6503,560 18159,561 2.038,562 45.7,564 18,566 1,568 2,572 1.682,573 1.899,574 3.315,575 -0.79,577 1,582 67.407,583 1.465,584 3.035,585 3.642,586 4.11,587 4.327,588 4.501,589 2.725,590 4.244,591 4.615,592 3.424,593 1027.2,594 7.994,595 12262.4,597 1,599 1,600 254.084,601 1.44,602 4.569,603 0.185,604 0.011,605 0.078,606 0.039,607 0.049,608 0.024,609 0.017,610 0.015,611 0.011,612 0.01,613 0.44,614 0.5,615 1,616 1.032,617 119.754,618 -0.014,619 -0.199,620 0.074,621 -0.148,622 -0.008,623 -0.041,624 -0.233,625 0.288,626 0.104,627 0.348,628 -0.161,629 0.301,630 0.102,631 -0.005,632 -0.047,633 -0.025,634 0.075,635 -0.055,636 -0.075,637 -0.307,638 -0.179,639 -0.288,640 -0.084,641 -0.261,642 -0.154,643 0.041,644 -0.15,645 0.029,646 -0.2,647 -0.047,648 0.045,649 -0.098,650 -0.083,651 -0.12,652 0.003,653 -0.13,654 0.08,655 0.025,656 0.164,657 0.033,658 0.15,659 0.102,660 -0.053,661 0.049,662 0.11,663 0.012,664 0.07,665 0.087,666 0.975,667 1.927,668 0.64,669 20.464,670 1.005,671 1.119,672 2.443,673 5.969,674 0.662,675 3.332,676 3.638,677 3.951,678 4.205,679 4.454,680 4.522,681 4.615,682 4.71,683 4.804,684 4.779,685 5.867,686 0.634,687 339.42,688 3.332,689 4.86,690 5.72,691 6.6,692 7.478,693 8.364,694 9.247,695 10.135,696 11.02,697 11.91,698 2.2,708 1,714 2,715 7,716 1,720 6,722 17,739 4,741 46,743 17,744 2,745 27,747 48,748 20,749 15,750 7,751 5,756 3,757 4,770 1,772 15,773 5,789 1,790 1,793 21,794 5,796 5,802 1,808 0.667,809 4,822 1,829 3,833 1,859 2,864 4,868 25,876 1,878 4,893 8.7,898 4,901 13.167,902 9.7,903 5.861,904 2.422,907 3.426,908 1.474,909 0.952,910 5.413,911 10.657,912 3.597,913 4.234,914 4.885,915 5.494,916 6.111,917 6.426,918 6.801,919 7.207,920 7.626,921 7.79,922 0.857,923 42,924 9.165,926 3.697,927 0.026,929 7.653,931 17.507,933 13.618,936 2.153,937 53.833,940 1,941 247.193,942 144.034,943 16.786,945 44,948 144.034,949 291.193,950 16.786,951 43.532,952 2.535,953 56.857,954 28.557,955 85.109,957 235.422,959 247.193,960 160.819,961 44,964 247.193,965 44,968 14.339,969 129.695,970 16.786,972 247.193,973 60.785,974 144.034,977 247.193,978 34.596,979 109.437,981 60.785,982 247.193,983 60.785,984 144.034,986 0.565,987 0.361,988 0.202,989 0.109,990 17,991 8,992 0.125,993 6,994 1,995 1.125,996 3.594,997 206.403,998 0.125,999 16,1000 114.096,1005 17.522,1006 7.723,1007 3.551,1008 2.095,1009 60.785,1010 13.608,1011 4.563,1015 4.871,1018 452.012,1019 35.5,1031 46.247,1032 51.488,1034 0.265,1035 0.55,1036 0.659,1037 0.744,1038 0.783,1039 0.815,1040 4.814,1041 1.348,1042 5.7,1043 4.105,1044 4.317,1045 4.92,1046 2.059,1047 6.526,1048 4.219,1049 6.032,1050 0.755,1051 7.27,1052 3.079,1053 3.892,1054 4.808,1056 7.466,1057 3.775,1058 7.354,1059 0.621,1060 8.938,1061 1.532,1062 5.927,1063 7.213,1064 1.758,1065 10.545,1066 5.766,1067 8.718,1068 0.375,1069 10.662,1070 1.176,1071 6.33,1072 7.92,1074 12.271,1075 6.137,1076 10.111,1077 0.36,1078 12.421,1079 0.525,1080 7.809,1081 9.796,1082 1.489,1083 14.863,1084 7.595,1085 11.526,1086 0.034,1087 14.203,1088 0.494,1089 8.592,1090 10.892,1092 16.918,1093 8.344,1094 12.957,1095 -0.399,1096 16.001,1097 0.068,1098 9.85,1099 12.548,1100 1.249,1101 19.339,1102 9.587,1103 3.134,1104 -0.47,1105 17.811,1106 -0.757,1107 10.812,1108 13.841,1110 21.54,1111 10.517,1112 2.898,1113 10.528,1114 19.63,1115 -0.982,1116 11.98,1117 15.401,1118 1.034,1119 23.9,1120 11.671,1121 2.648,1122 9.138,1123 21.457,1124 4.513,1125 13.024,1126 16.793,1128 26.169,1129 12.689,1130 2.259,1131 8.64,1132 23.289,1133 3.911,1134 14.158,1135 18.312,1136 0.845,1137 28.508,1138 13.809,1139 1.919,1140 6.933,1141 25.127,1142 3.492,1143 15.242,1144 19.756,1146 30.812,1147 14.871,1148 1.612,1149 5.806,1150 26.968,1151 2.946,1152 16.364,1153 21.259,1154 0.682,1155 33.147,1156 15.979,1157 1.587,1158 4.382,1159 28.814,1160 2.692,1161 17.467,1162 22.729,1164 35.468,1165 17.063,1166 6485,1167 10928,1168 17.8,1169 30.438,1170 38.841,1171 40.56,1172 41.875,1173 38.934,1174 39.103,1175 52.12,1176 8.24,1177 112.812,1178 36.858,1179 5.345,1180 5.312,1181 6.138,1182 5.153,1183 5.134,1184 7.513,1185 1.72,1186 17.464,1187 5.074,1188 13.062,1189 1.439,1190 1.502,1191 1.551,1192 1.442,1193 1.448,1194 1.93,1195 0.305,1196 4.178,1197 1.365,1198 4.1,1199 4.119,1200 4.065,1201 4.035,1202 5.031,1203 4.039,1204 3.906,1205 3.919,1206 3.859,1207 3.827,1208 4.917,1209 3.831,1210 3.536,1211 3.564,1212 3.472,1213 3.35,1214 4.721,1215 3.374,1216 3.32,1217 3.368,1218 3.192,1219 3.144,1220 4.497,1221 3.147,1222 3.247,1223 3.314,1224 3.06,1225 2.966,1226 4.496,1227 2.975,1228 3.247,1229 3.313,1230 3.05,1231 2.95,1232 4.303,1233 2.958,1234 3.095,1235 3.184,1236 2.891,1237 2.878,1238 4.069,1239 2.869,1240 3.079,1241 3.152,1242 2.89,1243 2.856,1244 3.828,1245 2.847,1246 0.169,1247 0.123,1248 0.244,1249 0.152,1250 0.116,1251 4.575,1252 0.167,1253 3.312,1254 0.032,1255 6.585,1256 0.39,1257 4.114,1258 0.114,1259 3.134,1260 4.513,1261 0.86,1262 10.528,1263 3.074,1264 2.057,1265 2.04,1266 2.123,1267 2.138,1268 1.303,1269 2.134,1270 1.877,1271 1.863,1272 1.972,1273 1.981,1274 1.112,1275 1.976,1276 1.451,1277 1.422,1278 1.647,1279 1.685,1280 0.715,1281 1.669,1282 1.279,1283 1.233,1284 1.585,1285 1.537,1286 0.608,1287 1.552,1288 1.193,1289 1.119,1290 1.576,1291 1.523,1292 0.576,1293 1.539,1294 1.19,1295 1.114,1296 1.574,1297 1.519,1298 0.573,1299 1.537,1300 1.097,1301 1.019,1302 1.425,1303 1.339,1304 0.538,1305 1.374,1306 1.089,1307 0.998,1308 1.393,1309 1.288,1310 0.462,1311 1.329,1312 4.007,1314 5.313,1316 6.843,1318 8.474,1320 10.155,1322 6.53,1328 0.674,1330 21.493,1340 29.149,1341 67.407,1342 139.62,1343 167.555,1344 189.064,1345 199.064,1346 207.064,1347 34.716,1348 7.231,1349 49.81,1350 49.81,1351 18,1352 12.44,1353 4.17,1354 3.248,1355 41.686,1356 87,1357 89,1358 0.237,1359 179.797,1360 309.82,1361 430.465,1362 12508,1364 17.811,1365 0.712,1366 0.593,1367 17.811,1368 14.829,1369 12.194,1370 0.452,1371 0.293,1372 7.72,1373 11.512,1374 7.387,1375 6.223,1376 12.194,1377 7.903,1378 10.174,1379 0.275,1380 0.15,1381 10.174,1382 5.552,1383 9.19,1384 0.18,1385 0.082,1386 9.19,1387 4.171,1388 7.652,1389 0.116,1390 0.044,1391 7.652,1392 2.884,1393 6.288,1394 0.074,1395 0.024,1396 6.288,1397 2.017,1398 0.366,1399 78.078,1400 0.237,1401 23.991,1402 0.665,1403 128,1404 418.587,1405 141.235,1406 387.595,1407 530.82,1408 368,1409 152,1410 381.647,1411 166.013,1412 391.348,1413 566.2,1414 361,1415 4.614}
{0 CHEMBL192241,1 1.456,2 8.389,3 3.865,4 14.935,5 74.923,6 10.454,7 0.632,8 3.44,9 3.519,10 3.305,11 3.171,12 4.647,13 3.119,14 3.9,15 4.008,16 3.578,17 3.515,18 5.106,19 3.439,20 4.123,21 4.268,22 3.772,23 3.582,24 5.543,25 3.502,26 4.138,27 4.311,28 3.677,29 3.444,30 5.5,31 3.349,32 3.928,33 4.086,34 3.389,35 3.199,36 5.361,37 3.145,38 3.625,39 3.74,40 3.197,41 3.076,42 4.977,43 3.012,44 3.67,45 3.843,46 3.361,47 3.059,48 4.871,49 2.932,50 3.538,51 3.766,52 3.184,53 2.84,54 4.587,55 2.664,56 0.01,57 0.288,58 2.258,59 2.38,60 4.798,61 2.93,62 0.044,63 0.465,64 13.074,65 4.468,66 10.853,67 5.148,68 0.155,69 0.616,70 8.919,71 5.462,72 39.944,73 6.586,74 0.174,75 0.63,76 21.234,77 6.42,78 36.194,79 6.765,80 0.239,81 0.501,82 19.359,83 5.094,84 51.944,85 4.649,86 0.117,87 0.361,88 4.457,89 3.071,90 29.777,91 3.039,92 0.143,93 0.394,94 9.129,95 3.793,96 26,97 4.187,98 0.136,99 0.362,100 10.823,101 3.703,102 22.444,103 4.346,104 11,105 25,106 0.277,107 0.498,108 0.589,109 0.724,110 0.781,111 0.794,112 2.96,113 1.047,114 -4.75,115 -4.66,116 -4.38,117 1,121 51.7,127 1,144 9,145 3,159 2,176 12,180 2,187 13,191 1,192 6,200 9,206 8,214 6,219 6,227 9,232 2,239 10,244 1,251 8,256 1,264 5,277 3,281 372,282 12.198,283 12.198,284 12.198,285 12.198,286 12.198,287 10.603,288 6.207,289 7.28,290 12.233,291 9.262,292 9.262,293 9.262,294 9.262,295 9.262,296 6.787,297 5.05,298 3.349,299 9.327,300 3.402,301 2.243,302 1.768,303 1.061,304 0.759,305 0.69,306 3.614,311 1,312 1,313 312,314 2.915,318 125.604,325 1.321,326 21.014,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 37.75,338 151,339 4.389,340 3.836,341 6.527,342 4.075,343 3.041,344 3.933,345 1.003,346 10.026,347 3.138,348 3.999,349 2.999,350 5.719,351 3.592,352 2.595,353 3.585,355 7.666,356 2.586,357 3.669,358 2.82,359 5.276,360 3.285,361 2.292,362 3.068,364 6.647,365 2.261,366 3.202,367 2.164,368 4.536,369 2.746,370 1.732,371 2.453,373 4.349,374 1.747,375 2.734,376 2.019,377 3.654,378 2.251,379 1.235,380 1.785,382 2.863,383 1.244,384 2.5,385 1.406,386 3.414,387 2,388 1,389 1.5,391 2.275,392 1,393 2.5,394 1.323,395 3.247,396 2,397 1,398 1.5,400 2.136,401 1,402 2.252,403 1,404 3.15,405 1.623,406 0.612,407 0.855,409 1.238,410 0.558,411 1.638,412 1,413 2.656,414 1.147,415 0.345,416 0.455,418 0.578,419 0.198,420 0.812,421 0.025,422 2.144,423 0.286,424 -0.575,425 -0.75,427 -1.095,428 -0.451,429 0.75,430 -0.284,431 2,432 0.28,433 -0.751,434 -1.101,436 -1.609,437 -0.771,438 0.5,439 -0.729,440 1.555,442 -1,443 -1.5,445 -2.347,446 -1,447 0.5,448 -1,449 1.55,451 -1,452 -1.5,454 -3,455 -1,456 0.197,457 -1,458 1.253,459 -0.238,460 -1.327,461 -1.745,463 -3.37,464 -1.338,465 -0.308,466 -1.146,467 1.086,468 -0.588,469 -1.532,470 -2,472 -4.022,473 -1.506,474 9.5,475 0.528,476 0.366,477 0.02,478 25,479 1.389,480 15,481 0.833,482 10,483 0.556,484 11.73,485 0.652,486 17.5,487 0.603,488 15.488,489 0.86,490 4.619,491 0.257,492 4.1,493 0.228,494 0.211,496 0.263,501 0.469,502 0.869,503 0.472,504 0.698,505 0.515,506 0.765,507 0.658,508 1.049,509 0.966,510 1.064,511 0.649,512 1.028,513 0.664,514 1.135,515 0.502,516 0.887,517 0.677,518 0.976,519 1.413,520 1.075,521 1.007,522 1.04,523 1.384,524 0.998,525 2.134,526 0.776,527 1.024,528 0.853,529 2.176,530 0.807,531 1.638,532 1.03,533 0.515,534 0.806,535 1.777,536 1.001,537 0.884,538 1.083,539 0.729,540 1.006,541 1.038,542 1.109,543 0.597,544 0.975,545 0.773,546 0.957,547 0.7,548 1.032,549 3,550 0.021,551 2.222,552 1.188,553 0.933,554 0.535,555 0.202,556 0.142,557 0.082,558 0.03,559 2671,560 9281,561 1.994,562 37.9,564 11,572 1.585,573 1.862,574 3.078,575 -0.818,577 1,579 1,582 42.224,583 1.456,584 2.615,585 3.09,586 3.797,587 4.099,588 4.168,589 2.53,590 3.461,591 4.14,592 3.151,593 482.077,594 7.021,595 4528.46,597 1,598 1,599 1,600 140.881,601 1.415,602 4.096,603 0.158,604 0.007,605 0.089,606 0.046,607 0.044,608 0.03,609 0.013,610 0.012,611 0.01,612 0.006,613 0.415,614 0.67,615 1,616 0.894,617 76.523,619 0.029,621 0.017,622 -0.04,623 0.021,624 -0.037,625 -0.141,626 -0.136,627 -0.213,628 -0.05,629 -0.169,630 0.218,631 -0.181,632 0.038,633 -0.078,634 0.248,635 -0.084,636 -0.123,637 -0.091,638 -0.054,639 -0.061,640 -0.049,641 -0.03,642 -0.358,643 0.234,644 -0.104,645 0.125,646 -0.286,647 0.121,648 -0.309,649 -0.069,650 -0.045,651 -0.03,652 -0.337,653 -0.188,654 0.034,655 -0.112,656 0.057,657 -0.093,658 -0.112,659 -0.149,660 0.154,661 0.027,662 0.127,663 0.042,664 0.018,665 0.045,666 2.137,667 4.983,668 0.667,669 11.778,670 1.006,671 1.095,672 3.52,673 12.391,674 0.753,675 2.996,676 3.258,677 3.497,678 3.611,679 3.761,680 3.664,681 3.664,682 3.497,683 3.367,684 3.219,685 4.854,686 0.711,687 303.16,688 2.996,689 4.489,690 5.313,691 6.151,692 6.991,693 7.836,694 8.681,695 9.529,696 10.377,697 11.226,715 9,720 3,722 12,727 2,741 29,743 14,744 2,745 19,746 1,747 30,748 15,749 12,750 3,751 9,752 2,754 1,756 2,757 2,763 1,772 14,773 1,777 2,782 2,786 2,790 1,793 11,794 2,796 3,797 1,808 1,809 2,829 2,859 2,863 1,868 18,876 1,892 1,893 6.9,896 2,901 9.667,902 5.226,903 4.167,904 1.634,907 2.111,908 1.356,909 0.974,910 4.06,911 8.043,912 3.332,913 3.871,914 4.443,915 4.879,916 5.359,917 5.356,918 5.596,919 5.538,920 5.633,921 5.859,922 0.833,923 26,924 6.665,926 2.8,927 0.026,929 7.977,931 12.412,933 9.797,936 2.477,937 44.583,938 0.001,941 129.482,942 107.514,943 45.954,945 50.29,948 153.468,949 179.772,952 2.404,953 85.286,954 60.557,955 9.557,957 129.482,958 45.954,959 129.482,960 107.514,961 50.29,963 45.954,964 129.482,965 50.29,968 2.404,969 105.11,971 45.954,972 129.482,973 50.29,974 153.468,977 129.482,978 22.228,979 85.286,980 45.954,981 50.29,982 129.482,983 50.29,984 153.468,986 0.568,987 0.343,988 0.168,989 0.086,990 11,991 5,992 0.1,993 3,995 1,996 3.034,997 120.816,999 12,1000 65.059,1005 12.722,1006 5.744,1007 2.95,1009 50.29,1010 15.62,1015 1.916,1018 333.24,1019 27,1024 23.924,1028 -0.94,1031 29.185,1032 31.752,1034 0.3,1035 0.538,1036 0.636,1037 0.782,1038 0.844,1039 0.858,1040 4.511,1041 0.612,1042 5.273,1043 2.136,1044 3.932,1045 4.554,1046 1.103,1047 6.033,1048 3.936,1049 5.702,1050 0.345,1051 6.812,1052 1.238,1053 3.434,1054 4.182,1056 6.887,1057 3.509,1058 6.987,1059 -0.575,1060 8.458,1061 0.578,1062 5.476,1063 6.689,1064 1.107,1065 9.956,1066 5.515,1067 8.312,1068 -0.751,1069 10.166,1070 -1.095,1071 5.832,1072 7.136,1074 11.628,1075 5.941,1076 9.669,1077 -1,1078 11.913,1079 -1.609,1080 7.315,1081 9.081,1082 1.111,1083 14.222,1084 7.408,1085 11.048,1086 -1,1087 13.688,1088 -2.347,1089 8.055,1090 9.91,1092 16.224,1093 8.215,1094 12.445,1095 -1.327,1096 15.482,1097 -3,1098 9.311,1099 11.597,1100 1.116,1101 18.652,1102 9.473,1103 3.041,1104 -1.532,1105 17.29,1106 -3.37,1107 10.236,1108 12.635,1110 20.806,1111 10.457,1112 2.595,1113 10.026,1114 19.109,1115 -4.022,1116 11.395,1117 14.184,1118 1.12,1119 23.166,1120 11.633,1121 2.292,1122 7.666,1123 20.936,1124 3.933,1125 12.41,1126 15.344,1128 25.394,1129 12.699,1130 1.732,1131 6.647,1132 22.771,1133 3.585,1134 13.532,1135 16.814,1136 1.124,1137 27.725,1138 13.846,1139 1.235,1140 4.349,1141 24.612,1142 3.068,1143 14.591,1144 18.049,1146 29.99,1147 14.95,1148 1,1149 2.863,1150 26.457,1151 2.453,1152 15.699,1153 19.473,1154 1.129,1155 32.307,1156 16.089,1157 1,1158 2.275,1159 28.307,1160 1.785,1161 16.781,1162 20.755,1164 34.591,1165 17.211,1166 2731,1167 5152,1168 12.425,1169 21.83,1170 28.189,1171 30.54,1172 28.991,1173 27.721,1174 27.704,1175 38.269,1176 2.006,1177 75.553,1178 27.466,1179 5.21,1180 5.836,1181 6.329,1182 5.075,1183 5.041,1184 6.933,1185 2.006,1186 17.15,1187 5.138,1188 8.495,1189 1.484,1190 1.607,1191 1.526,1192 1.459,1193 1.458,1194 2.014,1195 0.106,1196 3.976,1197 1.446,1198 3.987,1199 4.003,1200 6.88,1201 3.927,1202 7.497,1203 3.924,1204 3.866,1205 3.893,1206 3.93,1207 3.816,1208 7.352,1209 3.807,1210 3.44,1211 3.441,1212 3.782,1213 3.321,1214 4.733,1215 3.316,1216 3.103,1217 3.14,1218 3.358,1219 3.027,1220 4.693,1221 2.98,1222 2.854,1223 2.925,1224 2.834,1225 2.735,1226 3.896,1227 2.715,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 2.744,1235 2.778,1236 2.687,1237 2.611,1238 3.674,1239 2.586,1240 2.405,1241 2.445,1242 2.487,1243 2.235,1244 3.58,1245 2.21,1246 0.231,1247 0.202,1248 0.344,1249 0.214,1250 0.16,1251 4.389,1252 0.207,1253 3.836,1254 0.053,1255 6.527,1256 0.528,1257 4.075,1258 0.165,1259 3.041,1260 3.933,1261 1.003,1262 10.026,1263 3.138,1264 1.953,1265 1.936,1266 2.045,1267 2.033,1268 1.17,1269 2.038,1270 1.875,1271 1.849,1272 1.99,1273 1.948,1274 1.071,1275 1.967,1276 1.357,1277 1.351,1278 1.437,1279 1.529,1280 0.671,1281 1.508,1282 1.067,1283 1.032,1284 1.233,1285 1.233,1286 0.3,1287 1.266,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 0.697,1301 0.657,1302 0.935,1303 0.912,1304 0.008,1305 0.925,1306 0.345,1307 0.294,1308 0.667,1309 0.618,1311 0.635,1312 3.664,1314 4.934,1316 6.422,1318 7.991,1320 9.6,1321 3.333,1328 0.73,1340 20.616,1341 42.224,1342 75.823,1343 89.597,1344 110.127,1345 118.881,1346 120.881,1347 35.539,1348 5.932,1349 34.14,1350 34.14,1351 12,1352 11.784,1353 3.907,1354 3.17,1355 31.036,1356 51,1357 56,1358 0.303,1359 136.356,1360 237.28,1361 324.468,1362 2277,1363 3.4,1364 12.958,1365 0.72,1366 0.621,1367 13.958,1368 11.184,1369 8.72,1370 0.459,1371 0.349,1372 5.552,1373 8.048,1374 5.328,1375 4.43,1376 9.427,1377 6.633,1378 7.305,1379 0.292,1380 0.177,1381 7.714,1382 4.416,1383 6.435,1384 0.201,1385 0.102,1386 7.012,1387 3.26,1388 4.641,1389 0.129,1390 0.055,1391 5.049,1392 1.971,1393 3.458,1394 0.082,1395 0.029,1396 3.694,1397 1.219,1398 0.465,1399 63.725,1400 0.284,1401 18.155,1402 0.852,1403 88,1404 280.126,1405 146.773,1406 308.286,1407 395.75,1408 286,1409 101,1410 246.139,1411 128.373,1412 261.134,1413 378.94,1414 244,1415 4}
{0 CHEMBL192252,1 1.456,2 8.333,3 4.271,4 18.238,5 71.919,6 8.921,7 0.632,8 3.443,9 3.522,10 3.159,11 3.15,12 4.678,13 3.11,14 3.9,15 4.016,16 3.522,17 3.495,18 5.142,19 3.442,20 4.136,21 4.269,22 3.599,23 3.572,24 5.595,25 3.503,26 4.139,27 4.318,28 3.355,29 3.371,30 5.509,31 3.301,32 3.921,33 4.094,34 3.212,35 3.135,36 5.346,37 3.112,38 3.639,39 3.741,40 3.202,41 3.071,42 5.139,43 3.031,44 3.675,45 3.848,46 3.005,47 3.025,48 4.979,49 2.914,50 3.541,51 3.772,52 2.678,53 2.825,54 4.559,55 2.657,56 0.017,57 0.3,58 3.793,59 2.431,60 4.382,61 2.957,62 0.045,63 0.488,64 7.586,65 4.121,66 12.805,67 5.054,68 0.197,69 0.613,70 12.907,71 5.467,72 41.362,73 6.506,74 0.211,75 0.636,76 15.376,77 5.764,78 38.025,79 6.535,80 0.248,81 0.512,82 11.514,83 4.438,84 56.179,85 4.511,86 0.19,87 0.36,88 7.147,89 3.072,90 36.619,91 3.067,92 0.183,93 0.397,94 8.736,95 3.564,96 31.37,97 4.179,98 0.117,99 0.361,100 8.71,101 3.4,102 24.608,103 4.278,104 17,105 26,106 0.277,107 0.54,108 0.618,109 0.724,110 0.763,111 0.776,112 2.96,113 0.927,114 -4.9,115 -4.8,116 -4.51,121 51.7,122 1,144 8,145 3,146 1,159 2,176 11,180 2,187 14,191 1,192 6,200 10,206 8,214 6,219 5,227 8,232 3,239 9,244 2,251 8,264 6,277 4,281 360,282 11.776,283 11.776,284 11.776,285 11.776,286 11.776,287 10.103,288 5.774,289 6.868,290 11.865,291 9.301,292 9.301,293 9.301,294 9.301,295 9.301,296 6.769,297 2.701,298 3.247,299 9.465,300 3.402,301 2.026,302 1.612,303 1.061,304 0.854,305 0.785,306 3.609,308 1,311 1,312 1,313 310,314 2.828,318 125.198,325 1.259,326 23.061,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 38.333,338 150,339 4.394,340 3.837,341 6.527,342 4.077,343 3.045,344 3.947,346 10.029,347 3.139,348 4.024,349 3.017,350 5.723,351 3.597,352 2.607,353 3.639,355 7.669,356 2.588,357 3.743,358 2.874,359 5.078,360 3.303,361 2.338,362 3.182,364 6.147,365 2.262,366 3.451,367 2.571,368 4.967,369 3.036,370 2.083,371 2.759,373 5.807,374 1.902,375 2.905,376 1.961,377 4.414,378 2.423,379 1.414,380 2.012,382 3.932,383 1.384,384 2.5,385 1.872,386 3.414,387 2,388 1,389 1.5,391 2.275,392 1,393 2.5,394 1,395 3.414,396 2,397 1,398 1.5,400 2.275,401 1,402 2.293,403 1,404 3.27,405 1.655,406 0.565,407 0.884,409 1.3,410 0.594,411 1.115,412 0.458,413 2.321,414 0.753,415 -0.24,416 -0.302,418 -0.516,419 -0.178,420 1.114,421 0.173,422 2,423 0.599,424 -0.309,425 -0.423,427 -0.648,428 -0.293,429 0.5,430 -0.306,431 2,433 -1,434 -1.5,436 -2.902,437 -0.969,438 0.5,439 -0.822,440 1.795,442 -1,443 -1.5,445 -2.982,446 -1,447 0.263,448 -1,449 1.586,450 -0.151,451 -1.209,452 -1.539,454 -3,455 -1,456 0.009,457 -1,458 1.396,459 -0.29,460 -1.233,461 -1.577,463 -3,464 -1.258,465 -0.098,466 -1.116,467 1.224,468 -0.52,469 -1.414,470 -2,472 -3.564,473 -1.503,474 8.881,475 0.493,476 0.511,477 0.028,478 25.25,479 1.403,480 15,481 0.833,482 10.25,483 0.569,484 10.724,485 0.596,486 18.119,487 0.625,488 17.051,489 0.947,490 5.198,491 0.289,492 3.377,493 0.188,494 0.212,496 0.338,501 0.471,502 0.898,503 0.546,504 0.799,505 0.529,506 0.796,507 0.579,508 0.998,509 0.617,510 0.881,511 0.604,512 0.863,513 0.795,514 1.169,515 0.992,516 1.157,517 0.732,518 1.106,519 1.325,520 1.086,521 0.977,522 1.077,523 1.376,524 1.028,525 1.809,526 0.745,527 0.687,528 0.639,529 2.056,530 0.67,531 1.304,532 1.059,533 0.902,534 1.032,535 1.522,536 1.039,537 0.798,538 1.078,539 0.882,540 1.071,541 0.921,542 1.141,543 0.822,544 0.938,545 0.903,546 0.851,547 0.8,548 1.003,549 4,550 0.041,551 2.667,552 1.25,553 1.084,554 0.583,555 0.242,556 0.174,557 0.131,558 0.04,559 2639,560 8961,561 1.963,562 37.9,563 3,564 8,572 1.586,573 1.8,574 3.069,575 -0.818,577 1,582 42.224,583 1.456,584 2.832,585 3.246,586 3.797,587 4.004,588 4.073,589 2.503,590 2.725,591 4.141,592 3.132,593 479.12,594 7.023,595 4487.56,597 1,599 1,600 140.881,601 1.53,602 4.076,603 0.211,604 0.021,605 0.103,606 0.048,607 0.054,608 0.032,609 0.015,610 0.014,611 0.016,612 0.008,613 0.522,614 0.83,615 1,616 0.714,617 76.371,619 0.031,620 0.006,621 0.024,622 -0.056,623 0.024,624 0.021,625 -0.057,626 0.061,627 -0.008,628 -0.001,629 0.016,630 0.123,631 -0.224,632 -0.102,633 -0.237,634 0.189,635 -0.199,636 -0.129,637 -0.103,638 -0.072,639 -0.109,640 -0.086,641 -0.06,642 -0.269,643 0.272,644 0.086,645 0.321,646 -0.274,647 0.269,648 -0.015,649 -0.104,650 -0.076,651 -0.137,652 -0.129,653 -0.203,654 0.102,655 -0.109,656 -0.002,657 -0.116,658 -0.003,659 -0.171,660 -0.06,661 0.051,662 0.098,663 0.175,664 -0.067,665 0.08,666 2.185,667 4.959,668 0.667,669 11.556,670 1.01,671 1.098,672 3.666,673 13.438,674 0.736,675 2.996,676 3.296,677 3.497,678 3.611,679 3.807,680 3.714,681 3.611,682 3.497,683 3.367,684 3.219,685 4.803,686 0.704,687 258.71,688 2.996,689 4.511,690 5.333,691 6.18,692 7.02,693 7.871,694 8.717,695 9.569,696 10.417,697 11.27,715 8,720 4,722 12,727 2,740 1,741 29,743 14,744 2,745 19,747 30,748 15,749 12,750 4,751 8,752 2,756 2,757 2,758 1,763 1,772 14,773 1,777 2,782 2,786 2,790 1,793 11,794 2,796 3,797 1,808 1,809 2,829 2,859 2,864 1,865 1,868 18,892 1,893 6.9,896 2,901 10,902 5.643,903 4,904 1.668,907 2.117,908 1.356,909 0.966,910 3.589,911 8.057,912 3.332,913 3.912,914 4.46,915 4.896,916 5.405,917 5.44,918 5.538,919 5.538,920 5.668,921 5.901,922 0.833,923 26,924 6.654,926 2.822,927 0.026,929 8.062,931 12.261,933 9.697,936 2.562,937 46.111,938 0.001,941 129.482,942 107.959,944 39.149,945 50.29,948 107.959,949 218.921,951 8.825,953 75.81,954 60.557,955 13.057,957 129.482,958 39.149,959 129.482,960 107.959,961 50.29,962 39.149,964 129.482,965 50.29,968 8.825,969 99.134,970 39.149,972 129.482,973 50.29,974 147.108,977 129.482,978 23.324,979 84.635,981 89.438,982 129.482,983 50.29,984 147.108,986 0.586,987 0.337,988 0.157,989 0.089,990 12,991 6,992 0.1,993 3,995 1,996 2.996,997 121.917,999 12,1000 67.059,1005 12.533,1006 5.154,1007 2.865,1009 50.29,1010 13.226,1015 2.338,1018 326.88,1019 27,1024 23.908,1028 -1.021,1031 29.28,1032 31.854,1034 0.3,1035 0.583,1036 0.668,1037 0.782,1038 0.824,1039 0.838,1040 4.533,1041 0.565,1042 5.323,1043 2.275,1044 3.97,1045 4.595,1047 6.089,1048 3.955,1049 5.751,1050 -0.24,1051 6.872,1052 1.3,1053 3.611,1054 4.369,1056 6.94,1057 3.578,1058 7.052,1059 -0.309,1060 8.52,1061 -0.516,1062 5.533,1063 6.759,1065 9.987,1066 5.535,1067 8.386,1068 -1,1069 10.223,1070 -0.648,1071 5.943,1072 7.282,1074 11.633,1075 5.973,1076 9.748,1077 -1,1078 11.962,1079 -2.902,1080 7.371,1081 9.162,1083 14.231,1084 7.423,1085 11.129,1086 -1.209,1087 13.727,1088 -2.982,1089 8.128,1090 10.035,1092 16.219,1093 8.231,1094 12.525,1095 -1.233,1096 15.512,1097 -3,1098 9.359,1099 11.685,1101 18.652,1102 9.482,1103 3.045,1104 -1.414,1105 17.312,1106 -3,1107 10.287,1108 12.748,1110 20.802,1111 10.465,1112 2.607,1113 10.029,1114 19.124,1115 -3.564,1116 11.435,1117 14.276,1119 23.166,1120 11.639,1121 2.338,1122 7.669,1123 20.946,1124 3.947,1125 12.449,1126 15.452,1128 25.393,1129 12.704,1130 2.083,1131 6.147,1132 22.777,1133 3.639,1134 13.565,1135 16.909,1137 27.726,1138 13.851,1139 1.414,1140 5.807,1141 24.615,1142 3.182,1143 14.624,1144 18.155,1146 29.991,1147 14.954,1148 1,1149 3.932,1150 26.458,1151 2.759,1152 15.729,1153 19.571,1155 32.309,1156 16.093,1157 1,1158 2.275,1159 28.307,1160 2.012,1161 16.811,1162 20.861,1164 34.594,1165 17.215,1166 2705,1167 5080,1168 12.137,1169 21.335,1170 28.882,1171 30.509,1172 29.824,1173 28.35,1174 28.104,1175 38.844,1177 78.867,1178 27.739,1179 5.215,1180 5.837,1181 5.942,1182 5.077,1183 5.045,1184 6.947,1186 17.155,1187 5.139,1188 9.899,1189 1.52,1190 1.606,1191 1.57,1192 1.492,1193 1.479,1194 2.044,1196 4.151,1197 1.46,1198 3.989,1199 4.003,1200 4.019,1201 3.926,1202 7.497,1203 3.925,1204 3.869,1205 3.893,1206 3.872,1207 3.821,1208 7.352,1209 3.812,1210 3.441,1211 3.444,1212 3.526,1213 3.287,1214 4.931,1215 3.308,1216 3.092,1217 3.15,1218 3.174,1219 2.948,1220 4.711,1221 2.936,1222 2.854,1223 2.925,1224 2.834,1225 2.735,1226 4.273,1227 2.715,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.842,1233 2.715,1234 2.756,1235 2.778,1236 2.687,1237 2.585,1238 3.674,1239 2.581,1240 2.412,1241 2.447,1242 2.446,1243 2.177,1244 3.674,1245 2.174,1246 0.231,1247 0.202,1248 0.344,1249 0.215,1250 0.16,1251 4.394,1252 0.208,1253 3.837,1255 6.527,1256 0.528,1257 4.077,1258 0.165,1259 3.045,1260 3.947,1262 10.029,1263 3.139,1264 1.952,1265 1.936,1266 2.052,1267 2.034,1268 1.15,1269 2.039,1270 1.872,1271 1.85,1272 1.969,1273 1.943,1274 1.066,1275 1.959,1276 1.361,1277 1.348,1278 1.566,1279 1.548,1280 0.636,1281 1.542,1282 1.074,1283 1.024,1284 1.25,1285 1.296,1286 0.254,1287 1.303,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 0.688,1301 0.654,1302 0.881,1303 0.882,1305 0.885,1306 0.344,1307 0.29,1308 0.65,1309 0.607,1311 0.627,1312 3.664,1314 4.963,1316 6.46,1318 8.035,1320 9.647,1322 1.926,1323 5.734,1340 20.418,1341 42.224,1342 82.127,1343 94.127,1344 110.127,1345 116.127,1346 118.127,1347 37.07,1348 5.94,1349 34.14,1350 34.14,1351 12,1352 11.827,1353 3.907,1354 3.17,1355 31.033,1356 51,1357 50,1358 0.306,1359 132.775,1360 233.21,1361 315.731,1362 2279,1363 3.4,1364 13.121,1365 0.729,1366 0.587,1367 13.621,1368 10.569,1369 8.575,1370 0.451,1371 0.309,1372 5.492,1373 8.14,1374 5.268,1375 4.402,1376 8.864,1377 5.868,1378 7.758,1379 0.298,1380 0.172,1381 8.166,1382 4.468,1383 6.438,1384 0.201,1385 0.09,1386 6.726,1387 2.878,1388 4.482,1389 0.124,1390 0.047,1391 4.649,1392 1.694,1393 3.565,1394 0.081,1395 0.027,1396 3.779,1397 1.199,1398 0.469,1399 55.782,1400 0.287,1401 18.097,1402 0.865,1403 90,1404 291.674,1405 109.727,1406 315.228,1407 406.66,1408 290,1409 103,1410 260.135,1411 117.52,1412 277.624,1413 400.84,1414 260,1415 4}
{0 CHEMBL1922540,1 2.103,2 6.647,3 2.731,4 7.458,5 45.202,6 11.838,8 3.316,9 3.383,10 3.422,11 2.732,12 4.747,13 2.765,14 3.991,15 4.091,16 3.859,17 2.909,18 6.384,19 3.029,20 4.053,21 4.154,22 3.743,23 2.997,24 5.952,25 3.056,26 4.093,27 4.21,28 4.161,29 2.974,30 6.6,31 3.121,32 4.089,33 4.218,34 3.778,35 2.786,36 6.532,37 2.993,38 3.915,39 4.153,40 2.826,41 2.497,42 5.571,43 2.627,44 3.488,45 3.726,46 2.659,47 2.023,48 5.461,49 2.268,50 2.526,51 2.65,52 2.367,53 1.339,54 5.281,55 1.7,56 0.717,57 0.726,58 1.831,59 3.296,60 113.727,61 1.695,62 1.749,63 1.34,64 11.183,65 4.961,66 266.393,67 2.722,68 1.789,69 0.803,70 11.77,71 5.375,72 217.535,73 2.115,74 2.165,75 1.828,76 12.883,77 6.214,78 369.674,79 2.442,80 1.808,81 0.716,82 11.449,83 3.996,84 267.958,85 3.827,86 1.801,87 0.682,88 12.096,89 3.489,90 314.552,91 2.11,92 1.196,93 0.587,94 8.968,95 2.233,96 188.773,97 1.134,98 0.346,99 0.438,100 0.89,101 0.933,102 31.235,103 0.477,104 99,105 25,106 0.447,107 0.665,108 0.76,109 0.76,110 0.76,111 0.76,112 2.907,113 1.099,114 -3.37,115 -3.36,116 -3.21,121 29.2,126 1,127 1,129 1,134 2,142 1,143 1,176 1,179 3,180 1,192 1,206 2,219 2,281 331,282 9.505,283 9.505,284 9.505,285 9.505,286 9.505,287 9.115,288 9.193,289 5.423,290 10.096,291 7.853,292 7.853,293 7.853,294 7.853,295 7.853,296 7.146,297 7.481,298 2.521,299 9.015,300 2.482,301 1.459,302 1.011,303 1.011,304 1.011,305 1.011,306 3.48,312 1,313 202,314 5,325 1.239,326 58.829,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 45.667,338 113,339 4.619,340 4.531,341 7.623,342 4.439,343 3.58,344 3.827,345 3.02,346 13.51,347 3.2,348 4.359,349 4.098,350 6.69,351 4.097,352 3.131,353 3.487,354 3.02,355 10.826,356 2.871,357 3.791,358 3.271,359 6.303,360 3.546,361 2.791,362 2.791,363 1.128,364 9.175,365 2.081,366 3.481,367 2.481,368 4.286,369 2.416,370 1.472,371 2.018,373 3.253,374 1.381,375 2.051,376 1.759,377 3.647,378 1.784,379 0.963,380 0.996,382 2.542,383 0.776,384 1.863,385 0.709,386 3.052,387 1.156,388 0.234,389 0.332,391 0.361,392 0.213,393 0.686,394 0.51,395 2.697,396 0.227,397 -0.726,398 -0.749,400 -1.885,401 -0.681,402 0.338,403 0.51,404 2.575,406 -1,407 -1,409 -2.767,410 -0.7,411 0.163,412 0.51,413 2,415 -1,416 -1,418 -3,419 -0.7,421 0.51,422 2,423 -0.3,424 -1,425 -1,427 -3,428 -0.7,430 -0.487,431 2,432 -0.3,433 -1,434 -1,436 -3,437 -0.7,439 -0.589,440 2,441 -0.3,442 -1,443 -1.212,444 -1.128,445 -3,446 -1,448 -1,449 2,450 -0.3,451 -1,452 -1.583,453 -1.51,454 -3,455 -1,456 -0.648,457 -1.362,458 1.705,459 -0.809,460 -1.731,461 -1.791,462 -1.51,463 -4.973,464 -1.595,465 -0.791,466 -1.588,467 1.264,468 -0.846,469 -1.791,470 -1.964,471 -1.51,472 -6.867,473 -1.681,474 7.214,475 0.424,476 1.014,477 0.06,478 14.25,479 0.838,480 3.5,481 0.206,482 10.75,483 0.632,484 14.849,485 0.873,486 22.786,487 0.949,488 15.759,489 0.927,490 3.245,491 0.191,492 4.155,493 0.244,494 0.422,495 0.277,496 0.069,498 6,501 0.858,502 1.136,503 0.712,504 1.815,505 0.851,506 1.233,507 0.585,508 0.678,509 0.944,510 1.204,511 0.506,512 0.941,513 1.111,514 0.945,515 1.474,516 1.135,517 1.199,518 0.997,519 0.779,520 0.719,521 0.672,522 1.564,523 0.703,524 1.022,525 0.364,526 0.902,527 0.45,528 0.67,529 0.442,530 0.948,531 1.561,532 1.149,533 1.423,534 0.441,535 1.692,536 1.137,537 1.745,538 1.41,539 1.314,540 0.402,541 1.763,542 0.753,543 1.373,544 2.257,545 0.442,546 1.103,547 0.593,548 1.067,549 8,551 2.667,552 2.125,553 1.6,554 0.333,555 0.245,556 0.188,559 1528,560 12835,561 1.604,562 29.2,564 6,565 1,572 1.578,573 1.407,574 2.62,575 -0.404,582 50.471,583 2.103,584 3.126,585 3.574,586 3.574,587 3.574,588 3.574,589 2.064,590 2.696,591 4.056,592 2.834,593 385.401,594 6.9,595 3546.85,600 110.039,601 1.659,602 3.851,603 0.5,605 0.107,606 0.097,607 0.062,608 0.014,609 0.027,610 0.023,613 0.829,614 0.83,615 1,616 1.894,617 69.37,618 -0.139,619 -0.136,620 0.161,621 -0.277,622 -0.151,623 -0.13,624 0.362,625 0.267,626 0.031,627 -0.031,628 0.397,629 -0.022,630 -0.189,631 -0.082,632 -0.468,633 0.095,634 -0.338,635 -0.098,636 0.234,637 0.355,638 0.421,639 -0.198,640 0.344,641 -0.093,642 0.535,643 -0.116,644 0.402,645 -0.069,646 0.469,647 0.017,648 -0.559,649 -0.189,650 -0.489,651 0.067,652 -0.65,653 -0.128,654 -0.661,655 -0.342,656 -0.357,657 0.113,658 -0.654,659 0.222,660 -0.389,661 -1.067,662 0.208,663 -0.527,664 0.402,665 -0.18,666 6.997,667 4.137,669 9.619,670 1.134,671 1.221,672 2.143,673 4.594,674 0.625,675 2.833,676 3.258,677 3.135,678 3.296,679 3.219,680 2.303,681 2.197,682 1.946,685 4.227,686 0.669,687 284.11,688 2.833,689 4.419,690 5.176,691 6.111,692 6.913,693 7.84,694 8.663,695 9.582,696 10.418,697 11.33,741 24,743 2,745 16,747 23,748 7,763 2,769 2,770 1,771 2,773 5,777 1,782 1,788 1,791 6,793 7,794 9,796 10,797 1,809 3,816 1,818 1,836 1,837 1,864 1,866 6,868 17,876 1,878 2,880 1,882 2,885 1,886 1,891 1,892 6,893 12.5,896 1,897 2,901 12.083,902 4.474,903 3.583,904 1.028,906 1,907 0.281,908 1.056,909 0.864,910 5.103,911 5.318,912 2.996,913 3.434,914 3.296,915 3.466,916 3.689,917 2.485,918 2.565,919 2.944,922 1,923 22,924 5.779,926 4.205,927 0.026,929 10.008,931 9.993,933 7.579,936 4.508,937 76.639,941 97.066,942 66.459,945 34.106,946 89.761,947 14.668,948 66.459,949 116.504,950 89.761,951 5.996,952 4.592,953 14.668,954 34.106,955 89.761,956 52.123,957 70.627,958 15.519,959 82.398,960 66.459,961 123.867,962 14.668,964 82.398,965 110.024,966 13.843,968 20.111,969 29.317,970 31.699,972 172.158,973 34.106,974 66.459,975 14.668,976 14.668,977 97.917,978 4.592,979 5.996,980 17.031,981 147.188,982 82.398,983 123.867,984 81.127,986 0.613,987 0.282,988 0.136,989 0.079,990 10,991 7,992 0.174,993 4,996 2.509,997 104.166,1000 51.977,1005 16.325,1006 5.315,1007 5.983,1009 123.867,1018 287.392,1019 19,1024 11.137,1030 -4.541,1031 27.218,1032 29.297,1034 0.459,1035 0.682,1036 0.779,1037 0.779,1038 0.779,1039 0.779,1040 4.357,1041 -1,1042 5.407,1043 -1.885,1044 3.932,1045 4.111,1046 3.431,1047 6.392,1048 3.671,1049 5.68,1050 -1,1051 7.117,1052 -2.767,1053 4.369,1054 4.575,1055 3.745,1056 8.132,1057 3.943,1058 7.092,1059 -1,1060 8.955,1061 -3,1062 5.905,1063 6.217,1064 5.254,1065 11.036,1066 5.411,1067 8.523,1068 -1,1069 10.857,1070 -3,1071 6.909,1072 7.266,1073 6.157,1074 13.318,1075 6.277,1076 9.973,1077 -1,1078 12.791,1079 -3,1080 8.203,1081 8.647,1082 7.359,1083 15.98,1084 7.493,1085 11.434,1086 -1,1087 14.744,1088 -3,1089 9.361,1090 9.87,1091 8.414,1092 18.439,1093 8.538,1094 12.905,1095 -1.731,1096 16.709,1097 -3,1098 10.605,1099 11.194,1100 9.543,1101 21.041,1102 9.691,1103 3.58,1104 -1.791,1105 18.684,1106 -4.973,1107 11.815,1108 12.474,1109 10.637,1110 23.574,1111 10.796,1112 3.131,1113 13.51,1114 20.665,1115 -6.867,1116 13.054,1117 13.788,1118 11.748,1119 26.164,1120 11.937,1121 2.791,1122 10.826,1123 22.653,1124 3.827,1125 14.286,1126 15.091,1127 12.85,1128 28.731,1129 13.064,1130 1.472,1131 9.175,1132 24.645,1133 3.487,1134 15.53,1135 16.407,1136 13.957,1137 31.321,1138 14.204,1139 0.963,1140 3.253,1141 26.642,1142 2.791,1143 16.775,1144 17.721,1145 15.061,1146 33.904,1147 15.342,1148 0.234,1149 2.542,1150 28.644,1151 2.018,1152 18.025,1153 19.04,1154 16.167,1155 36.497,1156 16.484,1157 -0.726,1158 0.361,1159 30.649,1160 0.996,1161 19.278,1162 20.36,1163 17.272,1164 39.089,1165 17.628,1166 1872,1167 5532,1168 8.03,1169 15,1170 26.08,1171 24.618,1172 25.845,1173 24.525,1174 24.345,1175 26.901,1176 14.336,1177 79.334,1178 21.046,1179 5.532,1180 6.134,1181 7.464,1182 5.449,1183 5.505,1184 5.978,1185 4.53,1186 21.685,1187 4.965,1188 13.725,1189 1.63,1190 1.539,1191 1.615,1192 1.533,1193 1.522,1194 1.681,1195 0.896,1196 4.958,1197 1.315,1198 3.834,1199 3.843,1200 4.448,1201 3.946,1202 8.526,1203 3.656,1204 3.605,1205 3.634,1206 3.696,1207 3.376,1208 8.499,1209 3.409,1210 3.38,1211 3.424,1212 3.344,1213 3.324,1214 7.999,1215 3.268,1216 3.143,1217 3.196,1218 3.216,1219 2.592,1220 7.999,1221 2.734,1222 2.705,1223 2.782,1224 2.45,1225 2.432,1226 7.999,1227 2.408,1228 2.512,1229 2.585,1230 2.34,1231 2.243,1232 7.999,1233 2.176,1234 2.155,1235 2.221,1236 2.085,1237 1.638,1238 7.393,1239 1.714,1240 1.454,1241 1.546,1242 1.581,1243 0.553,1244 5.437,1245 0.646,1246 0.289,1247 0.283,1248 0.476,1249 0.277,1250 0.224,1251 4.619,1252 0.239,1253 4.531,1254 0.189,1255 7.623,1256 0.844,1257 4.439,1258 0.2,1259 3.58,1260 3.827,1261 3.02,1262 13.51,1263 3.2,1264 1.669,1265 1.659,1266 1.677,1267 1.853,1268 0.985,1269 1.862,1270 1.464,1271 1.433,1272 1.587,1273 1.677,1274 0.765,1275 1.675,1276 1.354,1277 1.309,1278 1.511,1279 1.477,1280 0.623,1281 1.55,1282 0.691,1283 0.65,1284 1.002,1285 1.276,1287 1.089,1288 0.657,1289 0.579,1290 0.636,1291 0.948,1293 0.985,1294 0.409,1295 0.335,1296 0.304,1297 0.741,1299 0.777,1302 0.125,1303 0.401,1305 0.385,1312 3.497,1314 4.89,1316 6.431,1318 8.047,1320 9.709,1322 0.467,1324 72.039,1328 -0.726,1330 7.553,1332 -4.177,1334 -11.493,1337 4.642,1339 1.738,1340 16.056,1341 50.471,1342 75.02,1343 85.774,1344 85.774,1345 85.774,1346 85.774,1347 103.925,1348 5.037,1349 35.53,1350 45.34,1352 11.859,1353 1.585,1354 2,1355 66.891,1356 41,1357 52,1358 0.845,1359 105.169,1360 207,1361 248.372,1362 514,1363 25,1364 13.906,1365 0.818,1366 0.541,1367 9.156,1368 9.196,1369 7.4,1370 0.462,1371 0.366,1372 3.826,1373 5.796,1374 3.651,1375 2.936,1376 5.831,1377 5.863,1378 8.757,1379 0.35,1380 0.193,1381 6.175,1382 4.829,1383 4.055,1384 0.184,1385 0.112,1386 3.075,1387 2.466,1388 3.221,1389 0.124,1390 0.064,1391 2.794,1392 1.673,1393 2.311,1394 0.096,1395 0.041,1396 1.132,1397 0.991,1398 1.246,1399 58.696,1400 0.353,1401 16.775,1402 2.559,1403 82,1404 749.486,1405 157.457,1406 549.623,1407 653.89,1408 498,1409 88,1410 379.708,1411 161.239,1412 364.864,1413 567.65,1414 337,1415 4.187}
{0 CHEMBL1922541,1 2.03,2 7.118,3 1.644,4 2.703,5 50.756,6 10.154,8 3.401,9 3.468,10 3.406,11 2.828,12 4.756,13 2.826,14 4.011,15 4.121,16 3.713,17 3.004,18 6.055,19 3.054,20 4.046,21 4.126,22 3.684,23 3.115,24 5.825,25 3.124,26 4.107,27 4.196,28 3.949,29 3.132,30 6.091,31 3.195,32 4.219,33 4.36,34 3.785,35 3.056,36 6.375,37 3.153,38 4.13,39 4.343,40 2.985,41 2.857,42 5.714,43 2.88,44 3.736,45 3.93,46 2.641,47 2.468,48 5.406,49 2.533,50 3.198,51 3.469,52 2.31,53 2.077,54 5.108,55 2.068,56 0.492,57 0.473,58 4.789,59 3.429,60 67.722,61 2.317,62 1.444,63 0.911,64 14.954,65 5.011,66 184.23,67 3.475,68 1.402,69 0.614,70 13.792,71 5.454,72 157.333,73 2.935,74 1.552,75 0.695,76 14.978,77 5.638,78 225.865,79 3.431,80 1.651,81 0.775,82 15.599,83 5.134,84 219.952,85 4.888,86 1.674,87 0.656,88 19.974,89 4.984,90 272.703,91 3,92 0.99,93 0.436,94 10.315,95 2.742,96 133.704,97 2.242,98 0.441,99 0.29,100 7.136,101 1.898,102 71.918,103 2.568,104 85,105 23,106 0.414,107 0.703,108 0.846,109 0.846,110 0.846,111 0.846,112 2.907,113 1.146,114 -2.34,115 -2.38,116 -2.34,121 29.6,126 2,127 1,129 1,134 1,142 1,143 1,160 1,176 1,179 4,180 1,191 2,192 1,206 2,218 4,219 2,244 2,256 2,281 342,282 10.11,283 10.11,284 10.11,285 10.11,286 10.11,287 9.59,288 11.104,289 5.904,290 10.607,291 7.76,292 7.76,293 7.76,294 7.76,295 7.76,296 6.765,297 9.708,298 2.636,299 8.546,300 2.725,301 1.307,302 0.602,303 0.602,304 0.602,305 0.602,306 3.487,311 1,312 1,313 217,314 4.796,325 1.066,326 47.95,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 43.167,338 121,339 4.536,340 4.418,341 7.265,342 4.319,343 3.419,344 3.818,345 3.02,346 12.337,347 3.191,348 4.287,349 3.675,350 6.679,351 4.043,352 3.106,353 3.403,354 2.504,355 10.745,356 2.811,357 3.502,358 3.258,359 5.378,360 3.15,361 2.242,362 2.605,363 1.128,364 6.535,365 1.957,366 3.48,367 2.481,368 4.027,369 2.414,370 1.468,371 2.017,372 0.513,373 2.891,374 1.381,375 2.094,376 1.864,377 3.579,378 1.818,379 0.972,380 1.021,382 2.362,383 0.808,384 1.879,385 1.461,386 3.024,387 1.183,388 0.264,389 0.358,391 0.394,392 0.24,393 1.458,394 0.72,395 2.581,396 1.057,397 0.125,398 0.153,400 0.177,401 0.113,402 0.707,403 0.51,404 2.465,405 0.251,406 -0.751,407 -0.821,409 -1.882,410 -0.7,411 0.399,412 0.51,413 2,415 -1,416 -1,418 -2.456,419 -0.7,420 0.194,421 0.026,422 2,424 -1,425 -1,427 -3,428 -0.736,430 -0.528,431 2,432 -0.3,433 -1,434 -1.216,436 -3,437 -1,439 -0.589,440 1.752,441 -0.3,442 -1,443 -1.586,444 -1.128,445 -3,446 -1,447 -0.169,448 -1,449 1.372,450 -0.434,451 -1.376,452 -1.706,453 -1.262,454 -3.148,455 -1.264,456 -0.652,457 -1.288,458 1.263,459 -0.81,460 -1.732,461 -1.894,462 -1.51,463 -4.943,464 -1.598,465 -0.804,466 -1.386,467 0.457,468 -0.882,469 -1.812,470 -2,471 -1.51,472 -6.554,473 -1.727,474 7.524,475 0.443,476 0.777,477 0.046,478 15.75,479 0.926,480 5,481 0.294,482 10.75,483 0.632,484 13.812,485 0.812,486 21.876,487 0.81,488 15.506,489 0.912,490 3.589,491 0.211,492 4.048,493 0.238,494 0.402,495 0.199,496 0.133,498 3,501 0.856,502 1.212,503 0.725,504 1.851,505 0.768,506 1.242,507 0.713,508 0.683,509 0.979,510 1.155,511 0.535,512 0.806,513 1.16,514 0.957,515 1.398,516 1.239,517 1.206,518 1.001,519 0.958,520 1.026,521 0.814,522 1.427,523 0.993,524 1.053,525 0.53,526 1.067,527 0.567,528 0.761,529 0.529,530 0.896,531 1.795,532 1.304,533 1.739,534 0.885,535 1.982,536 1.138,537 1.466,538 1.02,539 1.164,540 0.453,541 1.457,542 1.041,543 0.488,544 0.988,545 0.34,546 0.627,547 0.209,548 0.881,549 6.5,551 2.667,552 1.75,553 1.6,554 0.389,555 0.204,556 0.156,557 0.025,559 1584,560 10518,561 1.642,562 37,564 9,565 1,572 1.578,573 1.457,574 2.742,575 -0.461,579 1,582 54.798,583 2.03,584 3.448,585 4.152,586 4.152,587 4.152,588 4.152,589 2.19,590 3.052,591 4.055,592 2.897,593 394.046,594 6.898,595 3642.24,597 1,600 128.382,601 1.757,602 3.89,603 0.406,605 0.116,606 0.08,607 0.067,608 0.016,609 0.019,610 0.02,611 0.004,613 0.726,614 0.5,615 1,616 2.043,617 69.81,618 -0.16,619 -0.207,620 0.214,621 -0.321,622 -0.152,623 -0.147,624 0.31,625 0.263,626 0.073,627 0.026,628 0.346,629 0.121,630 -0.125,631 0.005,632 -0.359,633 0.062,634 -0.255,635 -0.118,636 0.014,637 -0.091,638 0.21,639 -0.184,640 0.028,641 -0.127,642 0.433,643 -0.161,644 0.294,645 -0.032,646 0.448,647 0.042,648 -0.616,649 0.045,650 -0.726,651 -0.008,652 -0.682,653 -0.225,654 -0.481,655 -0.076,656 -0.373,657 0.056,658 -0.421,659 -0.138,660 0.197,661 -0.329,662 0.546,663 -0.099,664 0.513,665 0.283,666 6.307,667 4.402,669 10.228,670 1.086,671 1.174,672 1.113,673 1.239,674 0.633,675 2.833,676 3.178,677 3.135,678 3.219,679 3.258,680 2.485,681 2.197,682 1.946,683 0.693,685 4.345,686 0.642,687 274.15,688 2.833,689 4.369,690 5.13,691 6.023,692 6.828,693 7.717,694 8.541,695 9.425,696 10.26,697 11.138,741 27,743 3,745 16,747 26,748 8,763 1,769 1,770 1,771 2,772 1,773 5,777 2,782 2,786 1,788 1,790 1,791 3,793 10,794 8,796 9,797 1,809 5,816 1,818 1,836 1,837 1,846 1,864 2,866 3,868 17,876 1,878 3,880 1,882 1,885 1,886 1,891 1,892 3,893 18.5,896 2,897 2,898 1,901 11.667,902 5.379,903 3.861,904 1.171,906 1,907 0.37,908 1.074,909 0.849,910 5.88,911 5.407,912 3.045,913 3.434,914 3.401,915 3.526,916 3.784,917 2.773,918 2.639,919 2.996,920 1.386,922 0.8,923 22,924 7.583,926 4.467,927 0.026,929 9.356,931 10.433,933 7.611,936 3.856,937 65.556,941 132.379,942 76.774,945 70.251,946 44.88,947 14.668,948 76.774,949 187.962,950 44.88,951 16.879,952 4.592,953 14.668,954 66.443,955 55.88,956 52.123,957 105.94,958 7.76,959 117.711,960 76.774,961 115.132,962 14.668,964 117.711,965 101.288,966 13.843,968 12.352,969 47.392,970 31.699,972 162.591,973 70.251,974 76.774,975 14.668,976 14.668,977 125.471,978 11.784,979 16.879,980 17.031,981 138.453,982 117.711,983 115.132,984 91.442,986 0.586,987 0.3,988 0.141,989 0.088,990 8,991 6,992 0.231,993 6,996 2.579,997 101.588,1000 64.732,1005 16.156,1006 6.187,1007 5.861,1009 115.132,1018 324.285,1019 20,1024 22.228,1028 -1.719,1030 -4.092,1031 29.334,1032 31.696,1034 0.427,1035 0.725,1036 0.873,1037 0.873,1038 0.873,1039 0.873,1040 4.344,1041 -0.751,1042 5.283,1043 0.177,1044 3.85,1045 4.111,1046 3.348,1047 6.205,1048 3.672,1049 5.62,1050 -1,1051 6.95,1052 -1.882,1053 4.111,1054 4.443,1055 3.404,1056 7.818,1057 3.838,1058 7,1059 -1,1060 8.743,1061 -2.456,1062 5.714,1063 6.176,1064 5.006,1065 10.7,1066 5.377,1067 8.406,1068 -1,1069 10.603,1070 -3,1071 6.621,1072 7.163,1073 5.753,1074 12.904,1075 6.199,1076 9.835,1077 -1,1078 12.498,1079 -3,1080 7.923,1081 8.573,1082 6.973,1083 15.504,1084 7.434,1085 11.278,1086 -1.376,1087 14.414,1088 -3,1089 9.028,1090 9.773,1091 7.944,1092 17.887,1093 8.463,1094 12.731,1095 -1.732,1096 16.344,1097 -3.148,1098 10.254,1099 11.105,1100 9.062,1101 20.41,1102 9.622,1103 3.419,1104 -1.812,1105 18.282,1106 -4.943,1107 11.424,1108 12.378,1109 10.107,1110 22.858,1111 10.72,1112 3.106,1113 12.337,1114 20.226,1115 -6.554,1116 12.633,1117 13.694,1118 11.201,1119 25.358,1120 11.861,1121 2.242,1122 10.745,1123 22.175,1124 3.818,1125 13.826,1126 14.995,1127 12.275,1128 27.833,1129 12.985,1130 1.468,1131 6.535,1132 24.128,1133 3.403,1134 15.033,1135 16.31,1136 13.365,1137 30.329,1138 14.124,1139 0.972,1140 2.891,1141 26.085,1142 2.605,1143 16.237,1144 17.623,1145 14.451,1146 32.816,1147 15.26,1148 0.264,1149 2.362,1150 28.043,1151 2.017,1152 17.446,1153 18.942,1154 15.544,1155 35.313,1156 16.401,1157 0.125,1158 0.394,1159 30.005,1160 1.021,1161 18.654,1162 20.261,1163 16.637,1164 37.807,1165 17.543,1166 1924,1167 5061,1168 8.436,1169 17.097,1170 24.973,1171 24.916,1172 25.404,1173 23.284,1174 23.193,1175 26.75,1176 14.331,1177 70.883,1178 20.998,1179 5.448,1180 6.019,1181 7.107,1182 5.331,1183 5.345,1184 5.969,1185 4.776,1186 19.796,1187 4.965,1188 13.141,1189 1.561,1190 1.557,1191 1.588,1192 1.455,1193 1.45,1194 1.672,1195 0.896,1196 4.43,1197 1.312,1198 3.829,1199 3.828,1200 4.448,1201 3.946,1202 8.513,1203 3.657,1204 3.605,1205 3.622,1206 3.663,1207 3.391,1208 7.999,1209 3.417,1210 3.384,1211 3.426,1212 3.344,1213 3.33,1214 7.999,1215 3.273,1216 3.282,1217 3.334,1218 3.225,1219 2.921,1220 7.432,1221 2.956,1222 2.889,1223 2.935,1224 2.723,1225 2.48,1226 7.392,1227 2.557,1228 2.7,1229 2.774,1230 2.448,1231 2.43,1232 5.437,1233 2.407,1234 2.497,1235 2.562,1236 2.315,1237 2.241,1238 4.534,1239 2.168,1240 2.12,1241 2.159,1242 2.034,1243 1.625,1244 4.42,1245 1.695,1246 0.284,1247 0.276,1248 0.454,1249 0.27,1250 0.214,1251 4.536,1252 0.239,1253 4.418,1254 0.189,1255 7.265,1256 0.771,1257 4.319,1258 0.199,1259 3.419,1260 3.818,1261 3.02,1262 12.337,1263 3.191,1264 1.671,1265 1.665,1266 1.684,1267 1.852,1268 0.98,1269 1.863,1270 1.479,1271 1.46,1272 1.646,1273 1.683,1274 0.743,1275 1.7,1276 1.368,1277 1.328,1278 1.559,1279 1.526,1280 0.623,1281 1.563,1282 1.149,1283 1.071,1284 1.46,1285 1.465,1286 0.558,1287 1.481,1288 0.658,1289 0.598,1290 1.002,1291 1.094,1293 0.993,1294 0.614,1295 0.578,1296 0.628,1297 0.943,1299 0.963,1300 0.405,1301 0.334,1302 0.308,1303 0.717,1305 0.765,1308 0.126,1309 0.375,1311 0.357,1312 3.497,1314 4.828,1316 6.33,1318 7.91,1320 9.537,1322 1.513,1324 37.102,1328 -0.5,1330 12.372,1332 -2.971,1334 -5.057,1337 4.773,1339 1.907,1340 17.335,1341 54.798,1342 93.098,1343 112.117,1344 112.117,1345 112.117,1346 112.117,1347 95.771,1348 5.037,1349 61.83,1350 71.64,1352 11.684,1353 2,1354 2.322,1355 66.866,1356 42,1357 52,1358 0.815,1359 116.232,1360 221.03,1361 275.365,1362 528,1363 11.1,1364 13.69,1365 0.805,1366 0.581,1367 11.44,1368 9.879,1369 7.637,1370 0.477,1371 0.382,1372 4.096,1373 6.107,1374 3.823,1375 3.16,1376 7.279,1377 6.112,1378 7.83,1379 0.34,1380 0.209,1381 7.144,1382 4.811,1383 4.423,1384 0.201,1385 0.117,1386 4.561,1387 2.584,1388 2.998,1389 0.125,1390 0.07,1391 3.148,1392 1.678,1393 2.471,1394 0.099,1395 0.041,1396 2.01,1397 1.032,1398 1.21,1399 59.563,1400 0.344,1401 16.905,1402 2.436,1403 78,1404 584.623,1405 141.643,1406 465.386,1407 564.67,1408 424,1409 84,1410 329.89,1411 150.722,1412 334.563,1413 502.96,1414 307,1415 4.361}
{0 CHEMBL192258,1 1.378,2 4.818,3 1.306,4 1.706,5 41.807,6 7.798,7 0.545,8 3.005,9 3.095,10 2.591,11 2.636,12 4.275,13 2.605,14 3.441,15 3.581,16 2.859,17 2.902,18 4.725,19 2.862,20 3.624,21 3.776,22 2.875,23 2.881,24 5.217,25 2.843,26 3.478,27 3.65,28 2.559,29 2.627,30 4.908,31 2.583,32 3.224,33 3.39,34 2.239,35 2.355,36 4.657,37 2.296,38 3.039,39 3.304,40 1.497,41 1.984,42 4.154,43 1.803,44 2.428,45 2.775,46 0.399,47 1.271,48 3.091,49 0.978,50 1.298,51 1.682,52 0.021,53 0.361,54 1.386,55 0.189,56 0.013,57 0.216,58 3.171,59 1.822,60 4.632,61 2.158,62 0.036,63 0.332,64 5.723,65 2.819,66 12.049,67 3.457,68 0.208,69 0.379,70 7.817,71 3.156,72 50.637,73 3.72,74 0.148,75 0.32,76 7.159,77 2.65,78 35.051,79 3.009,80 0.113,81 0.245,82 5.45,83 2.03,84 25.516,85 2.288,86 0.102,87 0.207,88 5.221,89 1.785,90 23.384,91 2.356,92 0.052,93 0.111,94 3.096,95 0.996,96 12.078,97 1.504,98 0.014,99 0.029,100 0.958,101 0.272,102 3.324,103 0.471,104 12,105 14,106 0.301,107 0.582,108 0.661,109 0.748,110 0.78,111 0.78,112 2.521,113 0.905,114 -2.68,115 -2.7,116 -2.62,121 47.4,122 1,144 5,145 1,158 1,159 1,176 6,180 2,187 6,191 1,192 4,200 4,206 4,214 2,219 3,227 2,232 1,239 1,281 92,282 7.104,283 7.104,284 7.104,285 7.104,286 7.104,287 6.117,288 2.931,289 4.336,290 7.036,291 5.391,292 5.391,293 5.391,294 5.391,295 5.391,296 3.912,297 1.852,298 2.029,299 5.263,300 2.87,301 1.578,302 1.217,303 0.816,304 0.671,305 0.671,306 3.107,312 1,313 101,314 2.55,318 35.505,325 0.777,326 15.179,329 1,330 0.83,331 0.83,332 0.6,334 1,335 1,336 0.75,337 24,338 53,339 4.257,340 3.826,341 6.28,342 3.937,343 2.9,344 3.769,345 1.277,346 9.17,347 3.001,348 3.543,349 2.923,350 4.899,351 3.107,352 2.076,353 2.906,355 5.27,356 2.132,357 2.899,358 2.159,359 3.662,360 2.437,361 1.414,362 2.014,364 3.034,365 1.443,366 2.5,367 1.323,368 3.247,369 2,370 1,371 1.5,373 2.136,374 1,375 2.316,376 1,377 3,378 1.704,379 0.605,380 0.952,382 1.339,383 0.659,384 0.75,385 0.383,386 1.862,387 0.28,388 -0.75,389 -1.075,391 -1.608,392 -0.768,393 0.5,394 -0.381,395 1.555,396 0.1,397 -1,398 -1.348,400 -2,401 -1,402 0.485,403 -0.982,404 1.296,406 -1,407 -1.5,409 -2.347,410 -1.091,411 -0.043,412 -1,413 1,414 -0.341,415 -1.414,416 -2,418 -3.788,419 -1.53,420 -0.5,421 -1.771,422 1,423 -0.824,424 -1.831,425 -2.218,427 -4.789,428 -1.846,429 -0.708,430 -2,431 0.198,432 -1,433 -2,434 -3,435 -1.277,436 -6.418,437 -2,474 5.167,475 0.47,476 0.285,477 0.026,478 15,479 1.364,480 9,481 0.818,482 6,483 0.545,484 5.004,485 0.455,486 11.633,487 0.612,488 8.777,489 0.798,490 3.244,491 0.295,492 1.972,493 0.179,494 0.226,496 0.29,501 0.477,502 1,503 0.715,504 0.997,505 0.53,506 0.926,507 0.592,508 1.077,509 0.741,510 1.065,511 0.623,512 0.96,513 0.993,514 1.032,515 0.99,516 1.029,517 0.985,518 1.013,519 1.519,520 1.014,521 1.195,522 1.003,523 1.482,524 1.022,525 1.557,526 1.157,527 1.345,528 1.155,529 1.534,530 1.193,531 1.096,532 0.948,533 1.208,534 0.974,535 1.092,536 1.089,537 0.554,538 0.689,539 0.875,540 0.724,541 0.562,542 0.843,549 2,551 1.333,552 0.688,553 0.351,554 0.181,555 0.08,559 553,560 2002,561 1.849,562 42.1,564 5,568 3,572 1.427,573 1.692,574 2.418,575 -0.79,582 26.181,583 1.378,584 2.67,585 3.031,586 3.432,587 3.577,588 3.577,589 1.868,590 2.413,591 3.435,592 2.409,593 132.473,594 5.603,595 874.032,600 80.711,601 1.539,602 3.356,603 0.182,605 0.095,606 0.053,607 0.039,608 0.03,609 0.04,613 0.439,614 1,615 1,616 1.455,617 36.606,622 -0.052,624 0.029,625 -0.107,626 0.078,627 -0.091,628 0.001,629 -0.014,630 0.12,631 -0.082,632 -0.053,633 -0.093,634 0.13,635 -0.107,636 -0.247,637 -0.078,638 -0.201,639 -0.083,640 -0.208,641 -0.122,642 -0.272,643 -0.228,644 -0.359,645 -0.243,646 -0.251,647 -0.306,648 -0.135,649 -0.039,650 -0.137,651 -0.046,652 -0.137,653 -0.083,654 0.065,655 0.208,656 0.277,657 0.228,658 0.049,659 0.286,660 0.368,661 0.893,662 1.321,663 0.99,664 0.361,665 1.296,666 2.092,667 3.995,668 0.545,669 4.512,670 1.01,671 1.109,672 1.453,673 2.111,674 0.682,675 2.485,676 2.708,677 2.833,678 2.833,679 2.833,680 2.398,681 2.197,682 1.609,685 3.162,686 0.66,687 148.17,688 2.485,689 3.932,690 4.71,691 5.517,692 6.319,693 7.132,694 7.938,695 8.752,696 9.56,697 10.374,715 5,720 1,722 6,727 1,741 19,743 8,744 1,745 11,747 19,748 9,749 6,750 1,751 5,752 2,756 1,757 1,763 1,772 8,773 1,777 2,782 2,786 2,793 8,794 2,796 2,808 1,809 2,829 1,841 1,859 1,864 1,868 11,893 10.5,896 2,901 6.5,902 3.75,903 2.556,904 1.069,907 1.399,908 1.299,909 0.908,910 2.17,911 6.072,912 2.833,913 3.314,914 3.778,915 4.105,916 4.505,917 4.202,918 4.343,919 3.841,922 1,923 13,924 4.04,925 -0.011,926 1.63,927 -0.014,929 8.318,931 7.322,932 -0.005,933 5.429,934 -0.008,936 2.818,937 31,938 0.008,941 94.169,942 69.659,945 50.29,948 69.659,949 144.459,951 8.825,953 47.381,954 60.557,955 3.186,957 94.169,959 94.169,960 69.659,961 50.29,964 94.169,965 50.29,968 8.825,969 60.834,972 94.169,973 50.29,974 69.659,977 94.169,978 13.453,979 56.206,981 50.29,982 94.169,983 50.29,984 69.659,986 0.568,987 0.322,988 0.144,989 0.068,990 6,991 3,992 0.105,993 2,995 1,996 2.231,997 54.822,999 6,1000 34.054,1005 7.676,1006 3.109,1007 1.743,1009 50.29,1010 8.525,1015 0.458,1018 214.118,1019 16,1024 21.59,1028 -0.846,1031 19.189,1032 21.08,1034 0.324,1035 0.629,1036 0.714,1037 0.808,1038 0.842,1039 0.842,1040 3.98,1041 -1,1042 4.673,1043 -2,1044 3.367,1045 3.989,1046 1.45,1047 5.389,1048 3.421,1049 5.166,1050 -1.414,1051 6.196,1052 -2.347,1053 2.944,1054 3.651,1056 6.225,1057 3.063,1058 6.44,1059 -1.831,1060 7.835,1061 -3.788,1062 4.86,1063 6.057,1064 1.845,1065 9.253,1066 4.971,1067 7.752,1068 -2,1069 9.539,1070 -4.789,1071 5.252,1072 6.504,1074 10.914,1075 5.444,1076 9.097,1078 11.284,1079 -6.418,1080 6.681,1081 8.407,1082 2.271,1083 13.462,1084 6.862,1085 10.465,1087 13.056,1089 7.435,1090 9.22,1092 15.435,1093 7.69,1094 11.85,1096 14.846,1098 8.66,1099 10.888,1100 2.72,1101 17.801,1102 8.917,1103 2.9,1105 16.648,1107 9.581,1108 11.899,1110 19.906,1111 9.898,1112 2.076,1113 9.17,1114 18.459,1116 10.717,1117 13.437,1118 3.184,1119 22.193,1120 11.049,1121 1.414,1122 5.27,1123 20.277,1124 3.769,1125 11.715,1126 14.567,1128 24.357,1129 12.096,1130 1,1131 3.034,1132 22.099,1133 2.906,1134 12.811,1135 16.027,1136 3.658,1137 26.607,1138 13.216,1139 0.605,1140 2.136,1141 23.925,1142 2.014,1143 13.845,1144 17.229,1146 28.798,1147 14.293,1148 -0.75,1149 1.339,1150 25.753,1151 1.5,1152 14.924,1153 18.64,1154 4.138,1155 31.031,1156 15.4,1157 -1,1158 -1.608,1159 27.584,1160 0.952,1161 15.974,1162 19.888,1164 33.235,1165 16.489,1166 646,1167 1272,1168 6.762,1169 12.955,1170 16.487,1171 17.48,1172 16.722,1173 16.006,1174 15.99,1175 22.281,1176 2.555,1177 41.9,1178 16.471,1179 4.965,1180 5.826,1181 6.082,1182 4.937,1183 4.9,1184 6.769,1185 2.555,1186 15.589,1187 5.001,1188 5.736,1189 1.499,1190 1.589,1191 1.52,1192 1.455,1193 1.454,1194 2.026,1195 0.232,1196 3.809,1197 1.497,1198 3.931,1199 3.951,1200 3.875,1201 3.862,1202 7.497,1203 3.86,1204 3.556,1205 3.577,1206 3.478,1207 3.373,1208 7.352,1209 3.394,1210 2.994,1211 3.044,1212 2.849,1213 2.814,1214 4.724,1215 2.808,1216 2.854,1217 2.925,1218 2.687,1219 2.735,1220 3.759,1221 2.715,1222 2.543,1223 2.601,1224 2.356,1225 2.278,1226 3.674,1227 2.289,1228 2.205,1229 2.174,1230 2.081,1231 1.669,1232 3.552,1233 1.783,1234 1.602,1235 1.802,1236 1.039,1237 1.217,1238 2.227,1239 1.144,1240 1.466,1241 1.678,1242 0.88,1243 1.037,1244 1.992,1245 0.966,1246 0.387,1247 0.348,1248 0.571,1249 0.358,1250 0.264,1251 4.257,1252 0.343,1253 3.826,1254 0.116,1255 6.28,1256 0.834,1257 3.937,1258 0.273,1259 2.9,1260 3.769,1261 1.277,1262 9.17,1263 3.001,1264 1.91,1265 1.889,1266 2.024,1267 1.999,1268 1.082,1269 2.006,1270 1.489,1271 1.461,1272 1.716,1273 1.704,1274 0.728,1275 1.702,1276 0.967,1277 0.914,1278 1.201,1279 1.198,1280 0.245,1281 1.2,1282 0.886,1283 0.821,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.481,1289 0.426,1290 0.767,1291 0.788,1293 0.791,1296 0.381,1297 0.429,1299 0.294,1302 0.291,1303 0.133,1305 0.23,1308 0.01,1309 0.029,1311 0.126,1312 3.135,1314 4.369,1316 5.814,1318 7.341,1320 8.907,1322 1.273,1340 12.537,1341 26.181,1342 50.736,1343 57.591,1344 65.201,1345 67.956,1346 67.956,1347 19.046,1348 4.673,1349 34.14,1350 34.14,1351 6,1352 10.961,1353 3.17,1354 2.585,1355 19.107,1356 20,1357 15,1358 0.51,1359 83.064,1360 145.38,1361 194.435,1362 379,1364 8.268,1365 0.752,1366 0.564,1367 8.268,1368 6.203,1369 5.215,1370 0.474,1371 0.302,1372 3.291,1373 5.076,1374 3.161,1375 2.671,1376 5.215,1377 3.319,1378 4.501,1379 0.322,1380 0.161,1381 4.501,1382 2.251,1383 3.445,1384 0.215,1385 0.085,1386 3.445,1387 1.356,1388 2.204,1389 0.138,1390 0.05,1391 2.204,1392 0.793,1393 1.536,1394 0.096,1395 0.028,1396 1.536,1397 0.453,1398 0.732,1399 32.446,1400 0.385,1401 11.032,1402 1.58,1403 50,1404 189.471,1405 54.207,1406 181.252,1407 230.31,1408 166,1409 55,1410 151.273,1411 59.097,1412 154.178,1413 218.44,1414 144,1415 4}
{0 CHEMBL192410,1 1.573,2 8.333,3 3.531,4 12.468,5 62.506,6 9.47,7 0.632,8 3.371,9 3.44,10 3.114,11 3.025,12 4.771,13 3.036,14 3.811,15 3.899,16 3.466,17 3.339,18 5.311,19 3.356,20 4.084,21 4.225,22 3.536,23 3.363,24 5.757,25 3.388,26 3.982,27 4.131,28 3.302,29 3.141,30 5.581,31 3.175,32 3.76,33 3.882,34 3.168,35 2.964,36 5.372,37 3.019,38 3.603,39 3.703,40 3.114,41 2.896,42 5.526,43 2.921,44 3.538,45 3.713,46 2.877,47 2.809,48 5.323,49 2.754,50 3.375,51 3.62,52 2.517,53 2.485,54 4.691,55 2.425,56 0.12,57 0.432,58 2.428,59 2.355,60 27.098,61 2.205,62 0.218,63 0.686,64 4.32,65 3.735,66 45.863,67 3.498,68 0.541,69 0.886,70 9.528,71 5.067,72 112.359,73 4.776,74 0.537,75 0.71,76 9.839,77 4.483,78 111.907,79 3.867,80 0.428,81 0.489,82 7.713,83 3.39,84 98.884,85 2.72,86 0.477,87 0.504,88 5.195,89 2.885,90 105.835,91 2.352,92 0.392,93 0.494,94 5.925,95 3.054,96 80.734,97 3.535,98 0.208,99 0.451,100 6.607,101 2.815,102 38.825,103 3.614,104 17,105 26,106 0.307,107 0.481,108 0.541,109 0.601,110 0.601,111 0.601,112 2.96,113 0.818,114 -4.91,115 -4.82,116 -4.52,121 53.8,144 8,145 2,146 2,159 2,176 8,180 2,187 8,191 1,192 6,200 5,206 8,214 4,219 4,227 8,239 8,251 4,281 360,282 11.776,283 11.776,284 11.776,285 11.776,286 11.776,287 10.103,288 5.003,289 6.868,290 11.853,291 9.301,292 9.301,293 9.301,294 9.301,295 9.301,296 6.769,297 1.914,298 3.247,299 9.439,300 3.127,301 2.231,302 1.923,303 1.615,304 1.615,305 1.615,306 3.609,311 1,312 1,313 310,314 2.828,318 125.198,325 1.259,326 37.825,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 41,338 150,339 4.394,340 3.837,341 6.527,342 4.077,343 3.045,344 3.947,346 10.029,347 3.138,348 4.024,349 3.025,350 5.723,351 3.593,352 2.607,353 3.639,355 7.669,356 2.573,357 3.743,358 2.886,359 5.078,360 3.293,361 2.338,362 3.182,364 6.147,365 2.215,366 3.451,367 2.826,368 4.967,369 3.04,370 2.083,371 2.759,373 5.807,374 1.966,375 2.905,376 1.971,377 4.414,378 2.423,379 1.414,380 2.012,382 3.932,383 1.407,384 2.5,385 1.939,386 3.414,387 2,388 1,389 1.5,391 2.275,392 1,393 2.5,394 1,395 3.414,396 2,397 1,398 1.5,400 2.275,401 1,402 2.293,403 1,404 3.27,405 1.653,406 0.565,407 0.884,409 1.3,410 0.601,411 1.115,412 0.458,413 2.321,414 0.684,415 -0.24,416 -0.302,418 -0.516,419 -0.212,420 1.114,421 0.424,422 2,423 0.653,424 -0.309,425 -0.423,427 -0.648,428 -0.284,429 0.5,430 -0.256,431 2,433 -1,434 -1.5,436 -2.902,437 -1,438 0.5,439 -0.763,440 1.795,442 -1,443 -1.5,445 -2.982,446 -1,447 0.263,448 -1,449 1.586,450 -0.173,451 -1.209,452 -1.539,454 -3,455 -1.12,456 0.009,457 -1,458 1.396,459 -0.321,460 -1.233,461 -1.577,463 -3,464 -1.121,465 -0.098,466 -1.06,467 1.224,468 -0.464,469 -1.414,470 -2,472 -3.564,473 -1.5,474 8.238,475 0.458,476 0.511,477 0.028,478 25.5,479 1.417,480 15,481 0.833,482 10.5,483 0.583,484 9.38,485 0.521,486 18.762,487 0.722,488 18.395,489 1.022,490 5.492,491 0.305,492 3.083,493 0.171,494 0.15,496 0.364,499 2,501 0.498,502 0.742,503 0.546,504 0.857,505 0.54,506 0.793,507 0.641,508 0.953,509 0.703,510 1.102,511 0.644,512 1.019,513 0.985,514 1.001,515 0.997,516 1.057,517 0.946,518 1.036,519 1.272,520 0.85,521 1.22,522 0.995,523 1.317,524 1.031,525 1.229,526 0.616,527 1.047,528 0.772,529 1.391,530 0.795,531 0.832,532 0.869,533 1.05,534 0.974,535 0.914,536 1.09,537 0.321,538 0.92,539 0.862,540 1.118,541 0.308,542 1.258,543 0.636,544 1.189,545 0.791,546 1.162,547 0.55,548 1.127,549 4,550 0.041,551 2.667,552 1.25,553 1.084,554 0.583,555 0.242,556 0.174,557 0.131,558 0.04,559 2639,560 11475,561 1.963,562 30.8,564 8,572 1.586,573 1.8,574 3.069,575 -0.763,579 1,582 40.908,583 1.573,584 2.47,585 2.777,586 3.085,587 3.085,588 3.085,589 2.503,590 2.725,591 4.141,592 3.132,593 479.12,594 7.023,595 4487.56,597 1,599 1,600 122.211,601 1.53,602 4.076,603 0.211,604 0.021,605 0.103,606 0.048,607 0.054,608 0.032,609 0.015,610 0.014,611 0.016,612 0.008,613 0.522,614 0.83,615 1,616 0.714,617 76.371,618 0.003,619 0.022,620 0.007,621 0.032,622 -0.038,623 0.026,624 -0.018,625 -0.143,626 -0.043,627 -0.203,628 -0.017,629 -0.17,630 -0.059,631 -0.056,632 -0.067,633 -0.105,634 -0.016,635 -0.088,636 -0.254,637 -0.002,638 -0.207,639 -0.045,640 -0.247,641 -0.064,642 -0.275,643 -0.014,644 -0.085,645 0.144,646 -0.306,647 0.14,648 0.174,649 0.003,650 -0.182,651 -0.049,652 0.135,653 -0.232,654 0.431,655 -0.061,656 0.146,657 -0.146,658 0.41,659 -0.181,660 0.105,661 -0.31,662 0.437,663 -0.141,664 0.136,665 0.131,666 2.415,667 4.776,668 0.667,669 11.556,670 1.042,671 1.122,672 3.684,673 13.575,674 0.715,675 2.996,676 3.296,677 3.497,678 3.611,679 3.807,680 3.714,681 3.611,682 3.497,683 3.367,684 3.219,685 4.803,686 0.724,687 246.22,688 2.996,689 4.511,690 5.333,691 6.18,692 7.02,693 7.871,694 8.717,695 9.569,696 10.417,697 11.27,715 8,720 4,722 12,727 2,740 2,741 26,743 14,744 2,745 19,747 27,748 14,749 12,750 4,751 8,752 2,756 2,757 2,772 14,777 2,782 2,786 2,790 1,791 2,793 8,794 4,796 4,808 1,809 2,829 2,859 2,866 2,868 18,892 2,893 7.7,896 2,901 10,902 4.786,903 4,904 1.453,907 2.117,908 1.356,909 0.975,910 3.293,911 8.057,912 3.332,913 3.912,914 4.46,915 4.896,916 5.405,917 5.44,918 5.538,919 5.538,920 5.668,921 5.901,922 0.833,923 26,924 6.704,926 2.974,927 0.026,929 8.611,931 11.767,933 9.315,936 3.111,937 56,941 94.169,942 110.69,945 50.29,946 29.92,948 110.69,949 144.459,950 29.92,953 75.81,954 60.557,955 24.613,956 29.92,957 94.169,959 94.169,960 110.69,961 80.21,964 124.089,965 50.29,969 110.69,972 124.089,973 50.29,974 110.69,977 94.169,978 34.88,979 75.81,981 80.21,982 94.169,983 80.21,984 110.69,986 0.586,987 0.337,988 0.157,989 0.089,990 12,991 6,992 0.111,993 3,995 1,996 2.996,997 121.917,999 12,1000 49.059,1005 12.128,1006 4.888,1007 2.686,1009 80.21,1010 9.35,1015 -0.766,1018 285.069,1019 27,1024 23.551,1028 -1.497,1031 27.098,1032 29.174,1034 0.335,1035 0.525,1036 0.591,1037 0.656,1038 0.656,1039 0.656,1040 4.533,1041 0.565,1042 5.323,1043 2.275,1044 3.97,1045 4.595,1047 6.089,1048 3.955,1049 5.751,1050 -0.24,1051 6.872,1052 1.3,1053 3.611,1054 4.369,1056 6.94,1057 3.578,1058 7.052,1059 -0.309,1060 8.52,1061 -0.516,1062 5.533,1063 6.759,1065 9.987,1066 5.53,1067 8.386,1068 -1,1069 10.223,1070 -0.648,1071 5.943,1072 7.282,1074 11.633,1075 5.964,1076 9.748,1077 -1,1078 11.962,1079 -2.902,1080 7.371,1081 9.162,1083 14.231,1084 7.412,1085 11.129,1086 -1.209,1087 13.727,1088 -2.982,1089 8.128,1090 10.035,1092 16.219,1093 8.218,1094 12.525,1095 -1.233,1096 15.512,1097 -3,1098 9.359,1099 11.685,1101 18.652,1102 9.47,1103 3.045,1104 -1.414,1105 17.312,1106 -3,1107 10.287,1108 12.748,1110 20.802,1111 10.453,1112 2.607,1113 10.029,1114 19.124,1115 -3.564,1116 11.435,1117 14.276,1119 23.166,1120 11.628,1121 2.338,1122 7.669,1123 20.946,1124 3.947,1125 12.449,1126 15.452,1128 25.393,1129 12.694,1130 2.083,1131 6.147,1132 22.777,1133 3.639,1134 13.565,1135 16.909,1137 27.726,1138 13.841,1139 1.414,1140 5.807,1141 24.615,1142 3.182,1143 14.624,1144 18.155,1146 29.991,1147 14.946,1148 1,1149 3.932,1150 26.458,1151 2.759,1152 15.729,1153 19.571,1155 32.309,1156 16.085,1157 1,1158 2.275,1159 28.307,1160 2.012,1161 16.811,1162 20.861,1164 34.594,1165 17.208,1166 2705,1167 5710,1168 12.137,1169 18.591,1170 28.882,1171 30.501,1172 29.824,1173 28.326,1174 28.104,1175 38.844,1177 78.867,1178 27.801,1179 5.215,1180 5.837,1181 5.942,1182 5.077,1183 5.045,1184 6.947,1186 17.155,1187 5.138,1188 9.899,1189 1.52,1190 1.605,1191 1.57,1192 1.491,1193 1.479,1194 2.044,1196 4.151,1197 1.463,1198 3.984,1199 3.999,1200 3.946,1201 3.907,1202 8.203,1203 3.912,1204 3.863,1205 3.889,1206 3.813,1207 3.794,1208 8.2,1209 3.793,1210 3.411,1211 3.403,1212 3.397,1213 3.219,1214 7.496,1215 3.259,1216 2.924,1217 2.946,1218 2.906,1219 2.748,1220 7.352,1221 2.773,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 4.614,1227 2.715,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 4.576,1233 2.715,1234 2.607,1235 2.641,1236 2.567,1237 2.347,1238 3.674,1239 2.386,1240 2.282,1241 2.248,1242 2.261,1243 1.773,1244 3.674,1245 1.896,1246 0.231,1247 0.202,1248 0.344,1249 0.215,1250 0.16,1251 4.394,1252 0.208,1253 3.837,1255 6.527,1256 0.528,1257 4.077,1258 0.165,1259 3.045,1260 3.947,1262 10.029,1263 3.138,1264 1.936,1265 1.921,1266 2.02,1267 2.03,1268 1.097,1269 2.025,1270 1.852,1271 1.828,1272 1.956,1273 1.942,1274 1.029,1275 1.947,1276 1.278,1277 1.283,1278 1.327,1279 1.497,1280 0.301,1281 1.436,1282 0.886,1283 0.821,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.821,1295 0.798,1296 0.964,1297 1.032,1298 0.042,1299 0.996,1300 0.466,1301 0.435,1302 0.694,1303 0.772,1305 0.735,1308 0.381,1309 0.471,1311 0.339,1312 3.664,1314 4.963,1316 6.46,1318 8.035,1320 9.647,1324 25.361,1340 18.83,1341 40.908,1342 64.211,1343 72.211,1344 80.211,1345 80.211,1346 80.211,1347 50.131,1348 5.94,1349 34.14,1350 34.14,1351 12,1352 11.827,1353 3.907,1354 3.17,1355 31.033,1356 51,1357 50,1358 0.306,1359 117.246,1360 212.84,1361 277.841,1362 2279,1363 7.7,1364 13.121,1365 0.729,1366 0.511,1367 11.38,1368 9.191,1369 8.575,1370 0.451,1371 0.273,1372 5.101,1373 8.212,1374 5.024,1375 4.144,1376 7.788,1377 5.179,1378 7.758,1379 0.298,1380 0.141,1381 6.514,1382 3.672,1383 6.438,1384 0.201,1385 0.076,1386 5.616,1387 2.419,1388 4.482,1389 0.124,1390 0.041,1391 4.179,1392 1.465,1393 3.565,1394 0.081,1395 0.022,1396 3.131,1397 0.951,1398 0.469,1399 54.339,1400 0.287,1401 18.097,1402 0.865,1403 90,1404 437.693,1405 101.869,1406 368.464,1407 465.46,1408 338,1409 103,1410 309.939,1411 113.582,1412 302.414,1413 437.92,1414 284,1415 4}
{0 CHEMBL192474,1 1.361,2 8.389,3 3.104,4 9.632,5 68.536,6 8.009,7 0.632,8 3.485,9 3.565,10 3.106,11 3.108,12 4.732,13 3.092,14 3.938,15 4.056,16 3.397,17 3.419,18 5.167,19 3.395,20 4.123,21 4.263,22 3.49,23 3.484,24 5.567,25 3.453,26 4.116,27 4.271,28 3.325,29 3.35,30 5.512,31 3.317,32 4.028,33 4.209,34 3.166,35 3.198,36 5.413,37 3.165,38 3.793,39 3.96,40 2.982,41 3.063,42 5.129,43 3.007,44 3.639,45 3.814,46 2.789,47 2.97,48 4.86,49 2.872,50 3.607,51 3.833,52 2.47,53 2.742,54 4.685,55 2.62,56 0.021,57 0.335,58 4.881,59 2.815,60 4.325,61 3.219,62 0.109,63 0.53,64 9.115,65 4.435,66 15.115,67 5.023,68 0.213,69 0.638,70 11.769,71 5.354,72 42.441,73 6.272,74 0.201,75 0.628,76 12.544,77 5.22,78 33.747,79 5.824,80 0.251,81 0.574,82 12.571,83 4.771,84 52.74,85 5.341,86 0.256,87 0.454,88 9.411,89 3.807,90 41.391,91 4.429,92 0.16,93 0.4,94 7.514,95 3.424,96 19.029,97 4.337,98 0.121,99 0.389,100 8.4,101 3.342,102 23.68,103 4.245,104 11,105 25,106 0.257,107 0.501,108 0.588,109 0.717,110 0.772,111 0.785,112 2.96,113 0.869,114 -3.81,115 -3.77,116 -3.58,121 50,126 1,144 9,145 2,146 1,159 2,176 10,180 4,187 10,191 1,192 8,200 6,206 9,214 4,219 5,227 8,231 1,232 1,239 9,243 1,244 1,251 6,256 2,264 2,269 2,281 372,282 12.198,283 12.198,284 12.198,285 12.198,286 12.198,287 10.603,288 6.061,289 7.28,290 12.33,291 9.262,292 9.262,293 9.262,294 9.262,295 9.262,296 6.787,297 5.24,298 3.349,299 9.341,300 3.546,301 2.26,302 1.801,303 1.117,304 0.825,305 0.758,306 3.614,311 1,312 1,313 312,314 2.915,318 125.604,325 1.321,326 22.742,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 39,338 151,339 4.389,340 3.836,341 6.527,342 4.074,343 3.041,344 3.933,345 0.86,346 10.026,347 3.137,348 3.999,349 2.998,350 5.719,351 3.581,352 2.595,353 3.585,355 7.666,356 2.566,357 3.669,358 2.801,359 5.276,360 3.264,361 2.292,362 3.068,364 6.647,365 2.213,366 3.202,367 2.163,368 4.536,369 2.743,370 1.732,371 2.453,373 4.349,374 1.741,375 2.734,376 1.973,377 3.654,378 2.25,379 1.235,380 1.785,382 2.863,383 1.247,384 2.5,385 1.323,386 3.414,387 2,388 1,389 1.5,391 2.275,392 1,393 2.5,394 1.066,395 3.247,396 2,397 1,398 1.5,400 2.136,401 1,402 2.252,403 1,404 3.15,405 1.635,406 0.612,407 0.855,409 1.238,410 0.601,411 1.638,412 1,413 2.656,414 1.304,415 0.345,416 0.455,418 0.578,419 0.332,420 0.812,421 -0.012,422 2.144,423 0.401,424 -0.575,425 -0.75,427 -1.095,428 -0.549,429 0.75,430 -0.298,431 2,432 0.28,433 -0.751,434 -1.101,436 -1.609,437 -0.771,438 0.5,439 -0.729,440 1.555,442 -1,443 -1.5,445 -2.347,446 -1,447 0.5,448 -1,449 1.55,451 -1,452 -1.5,454 -3,455 -1,456 0.197,457 -1,458 1.253,459 -0.232,460 -1.327,461 -1.745,463 -3.37,464 -1.349,465 -0.308,466 -1.134,467 1.086,468 -0.567,469 -1.532,470 -2,472 -4.022,473 -1.504,474 8.5,475 0.472,476 0.366,477 0.02,478 26,479 1.444,480 15.5,481 0.861,482 10.5,483 0.583,484 9.365,485 0.52,486 18.5,487 0.617,488 17.853,489 0.992,490 5.569,491 0.309,492 3.15,493 0.175,494 0.137,496 0.294,501 0.611,502 0.999,503 0.695,504 0.984,505 0.544,506 0.883,507 0.947,508 0.948,509 0.856,510 0.935,511 0.7,512 0.888,513 0.847,514 1.082,515 0.868,516 1.069,517 0.732,518 0.992,519 1.35,520 1.135,521 1.107,522 1.116,523 1.473,524 1.071,525 1.52,526 0.877,527 1.064,528 0.859,529 1.936,530 0.863,531 1.075,532 0.874,533 1.052,534 0.885,535 1.393,536 0.948,537 0.47,538 1.147,539 1.029,540 1.177,541 0.574,542 1.214,543 0.924,544 1.073,545 1.098,546 1.086,547 0.947,548 1.121,549 3,550 0.021,551 2.222,552 1.188,553 0.933,554 0.535,555 0.202,556 0.142,557 0.082,558 0.03,559 2671,560 8255,561 1.994,562 40,564 12,572 1.585,573 1.862,574 3.078,575 -0.818,577 1,578 1,579 1,582 40.829,583 1.361,584 2.646,585 3.106,586 3.79,587 4.082,588 4.148,589 2.53,590 3.461,591 4.14,592 3.151,593 482.077,594 7.021,595 4528.46,596 1,597 1,599 1,600 147.207,601 1.415,602 4.096,603 0.158,604 0.007,605 0.089,606 0.046,607 0.044,608 0.03,609 0.013,610 0.012,611 0.01,612 0.006,613 0.415,614 0.83,615 1,616 0.894,617 76.523,618 -0.008,619 -0.033,620 0.03,621 -0.026,622 -0.054,623 0.003,624 -0.095,625 0.02,626 -0.017,627 0.023,628 -0.059,629 0.02,630 0.112,631 -0.119,632 0.037,633 -0.113,634 0.231,635 -0.066,636 -0.161,637 -0.173,638 -0.133,639 -0.168,640 -0.104,641 -0.149,642 -0.213,643 0.094,644 -0.019,645 0.099,646 -0.239,647 0.085,648 0.046,649 0.096,650 -0.069,651 0.078,652 -0.114,653 -0.001,654 0.238,655 -0.188,656 -0.118,657 -0.207,658 0.082,659 -0.232,660 -0.059,661 -0.111,662 -0.062,663 -0.108,664 -0.081,665 -0.09,666 2.177,667 4.954,668 0.667,669 11.778,670 1.009,671 1.104,672 2.581,673 6.659,674 0.698,675 2.996,676 3.258,677 3.497,678 3.611,679 3.761,680 3.664,681 3.664,682 3.497,683 3.367,684 3.219,685 4.854,686 0.677,687 240.27,688 2.996,689 4.489,690 5.313,691 6.151,692 6.991,693 7.836,694 8.681,695 9.529,696 10.377,697 11.226,715 9,720 3,722 12,727 2,739 1,741 30,743 14,744 2,745 19,747 31,748 15,749 12,750 3,751 9,752 2,756 2,757 2,772 14,773 1,777 2,782 2,786 2,790 1,793 12,794 3,796 3,808 1,809 3,829 2,859 2,864 1,868 18,878 1,893 10,896 2,898 1,901 9.667,902 5.75,903 4.167,904 1.646,907 2.111,908 1.356,909 0.952,910 3.658,911 8.043,912 3.332,913 3.871,914 4.443,915 4.879,916 5.359,917 5.356,918 5.596,919 5.538,920 5.633,921 5.859,922 0.833,923 26,924 6.649,926 2.779,927 0.026,929 8.046,931 12.235,933 9.464,936 2.546,937 45.833,938 0.001,941 141.253,942 118.051,945 61.29,948 118.051,949 202.543,951 10.883,953 85.286,954 60.557,955 22.614,957 141.253,959 141.253,960 118.051,961 61.29,964 141.253,965 61.29,969 118.051,972 141.253,973 61.29,974 118.051,977 141.253,978 21.882,979 96.169,981 61.29,982 141.253,983 61.29,984 118.051,986 0.568,987 0.343,988 0.168,989 0.086,990 11,991 5,992 0.129,993 4,995 1,996 3.034,997 120.816,999 12,1000 67.059,1005 12.217,1006 5.39,1007 2.725,1009 61.29,1010 15.006,1015 1.418,1018 320.594,1019 27,1024 23.873,1028 -1.01,1031 30.284,1032 33.119,1034 0.277,1035 0.539,1036 0.633,1037 0.772,1038 0.832,1039 0.845,1040 4.511,1041 0.612,1042 5.273,1043 2.136,1044 3.932,1045 4.554,1046 0.908,1047 6.033,1048 3.933,1049 5.702,1050 0.345,1051 6.812,1052 1.238,1053 3.434,1054 4.182,1056 6.887,1057 3.472,1058 6.987,1059 -0.575,1060 8.458,1061 0.578,1062 5.476,1063 6.689,1064 0.739,1065 9.956,1066 5.5,1067 8.312,1068 -0.751,1069 10.166,1070 -1.095,1071 5.832,1072 7.136,1074 11.628,1075 5.912,1076 9.669,1077 -1,1078 11.913,1079 -1.609,1080 7.315,1081 9.081,1082 0.593,1083 14.222,1084 7.388,1085 11.048,1086 -1,1087 13.688,1088 -2.347,1089 8.055,1090 9.91,1092 16.224,1093 8.191,1094 12.445,1095 -1.327,1096 15.482,1097 -3,1098 9.311,1099 11.597,1100 0.469,1101 18.652,1102 9.453,1103 3.041,1104 -1.532,1105 17.29,1106 -3.37,1107 10.236,1108 12.635,1110 20.806,1111 10.436,1112 2.595,1113 10.026,1114 19.109,1115 -4.022,1116 11.395,1117 14.184,1118 0.366,1119 23.166,1120 11.616,1121 2.292,1122 7.666,1123 20.936,1124 3.933,1125 12.41,1126 15.344,1128 25.394,1129 12.682,1130 1.732,1131 6.647,1132 22.771,1133 3.585,1134 13.532,1135 16.814,1136 0.283,1137 27.725,1138 13.831,1139 1.235,1140 4.349,1141 24.612,1142 3.068,1143 14.591,1144 18.049,1146 29.99,1147 14.936,1148 1,1149 2.863,1150 26.457,1151 2.453,1152 15.699,1153 19.473,1154 0.217,1155 32.307,1156 16.076,1157 1,1158 2.275,1159 28.307,1160 1.785,1161 16.781,1162 20.755,1164 34.591,1165 17.199,1166 2731,1167 4882,1168 12.425,1169 20.932,1170 28.189,1171 30.144,1172 28.991,1173 27.7,1174 27.704,1175 38.269,1176 1.72,1177 75.553,1178 27.671,1179 5.21,1180 5.836,1181 6.329,1182 5.074,1183 5.041,1184 6.933,1185 1.72,1186 17.15,1187 5.137,1188 8.495,1189 1.484,1190 1.587,1191 1.526,1192 1.458,1193 1.458,1194 2.014,1195 0.091,1196 3.976,1197 1.456,1198 3.982,1199 3.995,1200 3.937,1201 3.908,1202 7.497,1203 3.911,1204 3.858,1205 3.882,1206 3.793,1207 3.795,1208 7.352,1209 3.791,1210 3.429,1211 3.429,1212 3.383,1213 3.234,1214 4.854,1215 3.269,1216 3.192,1217 3.251,1218 3.019,1219 2.929,1220 4.722,1221 2.937,1222 2.854,1223 2.925,1224 2.711,1225 2.735,1226 4.337,1227 2.715,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 2.826,1235 2.861,1236 2.687,1237 2.679,1238 3.674,1239 2.673,1240 2.512,1241 2.557,1242 2.371,1243 2.315,1244 3.586,1245 2.326,1246 0.231,1247 0.202,1248 0.344,1249 0.214,1250 0.16,1251 4.389,1252 0.207,1253 3.836,1254 0.045,1255 6.527,1256 0.528,1257 4.074,1258 0.165,1259 3.041,1260 3.933,1261 0.86,1262 10.026,1263 3.137,1264 1.94,1265 1.925,1266 2.037,1267 2.031,1268 1.108,1269 2.031,1270 1.858,1271 1.835,1272 1.975,1273 1.946,1274 1.046,1275 1.957,1276 1.316,1277 1.312,1278 1.576,1279 1.57,1280 0.578,1281 1.558,1282 1.146,1283 1.077,1284 1.345,1285 1.415,1286 0.345,1287 1.401,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 0.802,1301 0.761,1302 1.014,1303 0.981,1304 0.106,1305 0.988,1306 0.46,1307 0.42,1308 0.725,1309 0.719,1311 0.725,1312 3.664,1314 4.934,1316 6.422,1318 7.991,1320 9.6,1322 1.548,1330 4.998,1340 20.305,1341 40.829,1342 79.393,1343 93.168,1344 113.697,1345 122.452,1346 124.452,1347 34.807,1348 5.932,1349 43.37,1350 43.37,1351 12,1352 11.784,1353 3.907,1354 3.17,1355 31.036,1356 51,1357 56,1358 0.303,1359 128.438,1360 226.79,1361 305.15,1362 2277,1364 12.958,1365 0.72,1366 0.551,1367 12.958,1368 9.921,1369 8.72,1370 0.459,1371 0.29,1372 5.433,1373 8.436,1374 5.272,1375 4.422,1376 8.72,1377 5.503,1378 7.305,1379 0.292,1380 0.15,1381 7.305,1382 3.753,1383 6.435,1384 0.201,1385 0.081,1386 6.435,1387 2.594,1388 4.641,1389 0.129,1390 0.044,1391 4.641,1392 1.594,1393 3.458,1394 0.082,1395 0.024,1396 3.458,1397 1.002,1398 0.465,1399 54.587,1400 0.284,1401 18.155,1402 0.852,1403 88,1404 305.207,1405 95.086,1406 290.58,1407 383.11,1408 270,1409 101,1410 263.818,1411 108.419,1412 269.932,1413 388.9,1414 252,1415 4}
{0 CHEMBL192589,1 1.599,2 8.526,3 3.014,4 9.087,5 69.398,6 9.116,7 0.6,8 3.446,9 3.517,10 3.165,11 3.069,12 4.836,13 3.075,14 3.871,15 3.952,16 3.485,17 3.402,18 5.416,19 3.403,20 4.12,21 4.257,22 3.57,23 3.457,24 5.689,25 3.459,26 4.121,27 4.261,28 3.425,29 3.269,30 5.711,31 3.301,32 3.908,33 4.029,34 3.217,35 3.061,36 5.513,37 3.108,38 3.624,39 3.73,40 3.03,41 2.973,42 5.105,43 2.972,44 3.655,45 3.807,46 2.971,47 2.915,48 5.371,49 2.873,50 3.52,51 3.726,52 2.693,53 2.643,54 5.195,55 2.581,56 0.143,57 0.348,58 3.177,59 2.34,60 16.889,61 2.402,62 0.231,63 0.515,64 5.327,65 3.796,66 55.11,67 3.821,68 0.353,69 0.666,70 9.639,71 4.926,72 69.777,73 5.349,74 0.477,75 0.629,76 11.479,77 4.757,78 94.223,79 4.287,80 0.481,81 0.483,82 9.712,83 3.76,84 109.111,85 2.81,86 0.268,87 0.388,88 5.514,89 2.847,90 53.333,91 2.51,92 0.356,93 0.407,94 6.704,95 3.139,96 74,97 3.672,98 0.316,99 0.36,100 7.283,101 2.867,102 72,103 3.781,104 18,105 27,106 0.303,107 0.47,108 0.563,109 0.702,110 0.761,111 0.774,112 3.009,113 0.822,114 -4.06,115 -4.01,116 -3.79,121 50,144 9,145 2,146 1,159 2,168 2,176 10,179 1,180 4,187 10,191 1,192 12,200 6,206 13,214 4,219 7,227 8,231 1,232 1,239 9,243 3,244 1,251 6,255 2,256 4,264 2,269 6,281 425,282 12.535,283 12.535,284 12.535,285 12.535,286 12.535,287 10.636,288 6.701,289 7.417,290 12.544,291 9.803,292 9.803,293 9.803,294 9.803,295 9.803,296 6.934,297 5.733,298 3.469,299 9.77,300 3.208,301 2.324,302 1.832,303 1.098,304 0.786,305 0.714,306 3.662,311 1,312 1,313 333,314 3.24,318 134.845,325 1.396,326 33.539,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 42.5,338 162,339 4.402,340 3.838,341 6.527,342 4.077,343 3.046,344 4.019,345 2.612,346 10.029,347 3.139,348 4.21,349 3.775,350 5.931,351 3.719,352 2.739,353 3.804,355 8.219,356 2.683,357 3.856,358 2.983,359 5.671,360 3.418,361 2.417,362 3.376,364 7.438,365 2.415,366 3.332,367 2.271,368 4.577,369 2.806,370 1.787,371 2.658,373 4.465,374 1.815,375 2.982,376 2.156,377 3.832,378 2.385,379 1.373,380 2.128,382 3.094,383 1.387,384 2.66,385 1.684,386 3.589,387 2.091,388 1.075,389 1.66,391 2.619,392 1.089,393 2.5,394 1.323,395 3.414,396 2,397 1,398 1.5,400 2.275,401 1,402 2.5,403 1,404 3.247,405 2,406 1,407 1.5,409 2.136,410 1,411 2.226,412 1,413 3.078,414 1.558,415 0.448,416 0.745,418 1.031,419 0.492,420 1,421 1,422 2.222,423 0.483,424 -0.534,425 -0.769,427 -1.214,428 -0.54,429 0.959,430 -0.009,431 2,432 0.28,433 -0.751,434 -1.103,436 -1.609,437 -0.771,438 0.75,439 -0.322,440 1.814,442 -1,443 -1.5,445 -2,446 -1,447 0.5,448 -0.76,449 1.555,451 -1,452 -1.5,454 -2.347,455 -1,456 0.5,457 -1,458 1.515,460 -1,461 -1.909,463 -3,464 -1,465 0.203,466 -1,467 1.244,468 -0.229,469 -1.33,470 -2,472 -3.415,473 -1.454,474 8.733,475 0.46,476 0.494,477 0.026,478 29.25,479 1.539,480 18,481 0.947,482 11.25,483 0.592,484 9.038,485 0.476,486 19.467,487 0.695,488 20.861,489 1.098,490 6.111,491 0.322,492 2.981,493 0.157,494 0.153,496 0.332,501 0.336,502 0.816,503 0.572,504 0.816,505 0.51,506 0.799,507 0.5,508 1.108,509 0.742,510 1.111,511 0.525,512 1.046,513 0.664,514 1.117,515 0.799,516 1.135,517 0.604,518 1.045,519 1.413,520 1,521 1.147,522 1.035,523 1.366,524 1.003,525 1.828,526 0.772,527 1.303,528 0.765,529 1.865,530 0.829,531 1.113,532 1.004,533 1.192,534 1.045,535 1.215,536 1.129,537 0.393,538 1.045,539 0.944,540 1.129,541 0.474,542 1.217,543 0.292,544 1.109,545 0.793,546 1.088,547 0.277,548 1.117,549 3.5,550 0.037,551 2.667,552 1.438,553 0.973,554 0.597,555 0.243,556 0.174,557 0.131,558 0.07,559 3092,560 12350,561 1.965,562 32.1,564 9,572 1.601,573 1.81,574 3.107,575 -0.724,577 1,579 1,582 44.774,583 1.599,584 2.484,585 2.976,586 3.709,587 4.022,588 4.093,589 2.55,590 3.722,591 4.218,592 3.219,593 550.49,594 7.175,595 5410.14,596 1,597 1,599 1,600 134.606,601 1.509,602 4.159,603 0.175,604 0.007,605 0.099,606 0.051,607 0.042,608 0.031,609 0.015,610 0.012,611 0.013,612 0.01,613 0.457,614 0.5,615 1,616 0.92,617 82.719,618 0.203,619 0.21,620 0.038,621 0.11,622 -0.016,623 0.026,624 0.13,625 -0.156,626 -0.051,627 -0.162,628 0.104,629 -0.171,630 0.098,631 -0.156,632 0.104,633 -0.171,634 0.147,635 -0.065,636 -0.273,637 -0.061,638 -0.105,639 -0.066,640 -0.2,641 -0.031,642 -0.47,643 0.145,644 -0.249,645 0.212,646 -0.445,647 0.103,648 -0.164,649 -0.047,650 -0.333,651 -0.095,652 -0.261,653 -0.234,654 0.436,655 -0.101,656 0.049,657 -0.146,658 0.336,659 -0.186,660 0.502,661 -0.172,662 0.374,663 -0.073,664 0.49,665 0.051,666 2.562,667 4.907,668 0.632,669 13.374,670 1.034,671 1.107,672 2.827,673 7.992,674 0.71,675 3.045,676 3.332,677 3.555,678 3.664,679 3.807,680 3.761,681 3.807,682 3.611,683 3.497,684 3.367,685 5.092,686 0.714,687 255.24,688 3.045,689 4.554,690 5.38,691 6.225,692 7.067,693 7.917,694 8.765,695 9.617,696 10.467,697 11.32,698 3.6,709 1,715 9,720 3,722 12,727 2,735 1,741 28,743 16,744 2,745 20,747 29,748 14,749 12,750 3,751 9,752 2,756 2,757 2,772 14,777 4,779 1,782 4,786 2,790 1,793 9,794 4,796 5,802 1,808 1,809 4,829 2,859 2,868 19,893 14.3,896 2,899 2,901 10.5,902 5.117,903 4.278,904 1.554,907 2.297,908 1.38,909 0.948,910 3.601,911 8.339,912 3.434,913 4.007,914 4.543,915 4.977,916 5.45,917 5.57,918 5.929,919 5.752,920 5.829,921 6.09,922 0.833,923 28,924 7.019,926 3.049,927 0.026,929 8.465,931 12.456,933 9.754,936 2.965,937 56.333,941 105.94,942 104.681,943 5.67,945 101.037,948 104.681,949 206.977,950 5.67,951 5.67,953 85.286,954 60.557,955 9.128,957 105.94,958 50.747,959 105.94,960 110.351,961 101.037,964 105.94,965 50.29,966 50.747,969 104.681,970 5.67,972 105.94,973 106.707,974 104.681,977 105.94,978 19.395,979 90.956,981 101.037,982 105.94,983 106.707,984 104.681,986 0.58,987 0.341,988 0.162,989 0.081,990 12,991 6,992 0.138,993 4,995 1,996 3.096,997 130.951,999 12,1000 70.711,1005 12.811,1006 5.34,1007 2.789,1009 101.037,1010 13.122,1015 0.314,1018 317.328,1019 30,1021 -0.562,1024 44.77,1028 -1.31,1031 28.945,1032 30.997,1034 0.333,1035 0.517,1036 0.619,1037 0.772,1038 0.837,1039 0.851,1040 4.625,1041 1,1042 5.361,1043 2.275,1044 4.007,1045 4.691,1046 2.501,1047 6.138,1048 4.022,1049 5.842,1050 0.448,1051 6.917,1052 2.136,1053 3.611,1054 4.494,1055 2.361,1056 7.029,1057 3.643,1058 7.147,1059 -0.534,1060 8.578,1061 1.031,1062 5.572,1063 6.873,1064 4.154,1065 10.087,1066 5.603,1067 8.489,1068 -0.751,1069 10.299,1070 -1.214,1071 5.994,1072 7.475,1073 4.506,1074 11.774,1075 6.06,1076 9.861,1077 -1,1078 12.058,1079 -1.609,1080 7.438,1081 9.321,1082 5.948,1083 14.355,1084 7.502,1085 11.255,1086 -1,1087 13.841,1088 -2,1089 8.215,1090 10.281,1091 6.556,1092 16.356,1093 8.322,1094 12.664,1095 -1,1096 15.64,1097 -2.347,1098 9.451,1099 11.9,1100 7.794,1101 18.768,1102 9.565,1103 3.046,1104 -1.33,1105 17.452,1106 -3,1107 10.393,1108 13.039,1109 8.548,1110 20.913,1111 10.55,1112 2.739,1113 10.029,1114 19.272,1115 -3.415,1116 11.541,1117 14.545,1118 9.67,1119 23.258,1120 11.716,1121 2.417,1122 8.219,1123 21.098,1124 4.019,1125 12.561,1126 15.782,1127 10.509,1128 25.476,1129 12.778,1130 1.787,1131 7.438,1132 22.93,1133 3.804,1134 13.675,1135 17.229,1136 11.563,1137 27.795,1138 13.917,1139 1.373,1140 4.465,1141 24.767,1142 3.376,1143 14.734,1144 18.522,1145 12.452,1146 30.051,1147 15.015,1148 1.075,1149 3.094,1150 26.607,1151 2.658,1152 15.835,1153 19.936,1154 13.468,1155 32.359,1156 16.147,1157 1,1158 2.619,1159 28.451,1160 2.128,1161 16.914,1162 21.262,1163 14.386,1164 34.636,1165 17.264,1166 3168,1167 6438,1168 12.83,1169 19.869,1170 30.336,1171 32.862,1172 31.133,1173 29.84,1174 29.769,1175 42.778,1176 5.225,1177 82.612,1178 30.039,1179 5.223,1180 5.838,1181 6.329,1182 5.077,1183 5.046,1184 7.019,1185 4.612,1186 17.156,1187 5.139,1188 10.3,1189 1.517,1190 1.643,1191 1.557,1192 1.492,1193 1.488,1194 2.139,1195 0.261,1196 4.131,1197 1.502,1198 4.018,1199 4.036,1200 3.982,1201 3.919,1202 7.815,1203 3.926,1204 3.894,1205 3.919,1206 3.84,1207 3.809,1208 7.496,1209 3.809,1210 3.57,1211 3.576,1212 3.55,1213 3.276,1214 7.352,1215 3.332,1216 3.274,1217 3.275,1218 3.232,1219 2.938,1220 6.999,1221 3.017,1222 2.854,1223 2.925,1224 2.713,1225 2.735,1226 4.727,1227 2.715,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 4.652,1233 2.715,1234 2.785,1235 2.808,1236 2.687,1237 2.558,1238 3.674,1239 2.603,1240 2.437,1241 2.471,1242 2.327,1243 2.179,1244 3.674,1245 2.222,1246 0.22,1247 0.192,1248 0.326,1249 0.204,1250 0.152,1251 4.402,1252 0.201,1253 3.838,1254 0.131,1255 6.527,1256 0.501,1257 4.077,1258 0.157,1259 3.046,1260 4.019,1261 2.612,1262 10.029,1263 3.139,1264 1.953,1265 1.936,1266 2.043,1267 2.092,1268 1.117,1269 2.061,1270 1.875,1271 1.849,1272 1.988,1273 1.983,1274 1.054,1275 1.983,1276 1.36,1277 1.356,1278 1.406,1279 1.707,1280 0.377,1281 1.607,1282 1.069,1283 1.052,1284 1.181,1285 1.404,1286 0.218,1287 1.341,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.886,1295 0.821,1296 1.166,1297 1.062,1298 0.158,1299 1.107,1300 0.696,1301 0.668,1302 0.886,1303 0.94,1305 0.936,1306 0.341,1307 0.305,1308 0.619,1309 0.643,1311 0.641,1312 3.714,1314 5.004,1316 6.5,1318 8.075,1320 9.688,1340 19.988,1341 44.774,1342 69.547,1343 83.322,1344 103.851,1345 112.606,1346 114.606,1347 48.141,1348 6.043,1349 79.96,1350 79.96,1351 12,1352 11.876,1353 4.087,1354 3.459,1355 33.737,1356 57,1357 52,1358 0.296,1359 126.709,1360 226.64,1361 300.93,1362 2624,1364 13.828,1365 0.728,1366 0.515,1367 13.828,1368 9.776,1369 9.092,1370 0.455,1371 0.274,1372 5.408,1373 8.717,1374 5.314,1375 4.422,1376 9.092,1377 5.479,1378 8.035,1379 0.298,1380 0.142,1381 8.035,1382 3.828,1383 6.726,1384 0.198,1385 0.076,1386 6.726,1387 2.583,1388 4.856,1389 0.128,1390 0.042,1391 4.856,1392 1.586,1393 3.552,1394 0.081,1395 0.023,1396 3.552,1397 1.002,1398 0.457,1399 57.607,1400 0.279,1401 19.081,1402 0.825,1403 94,1404 380.587,1405 104.384,1406 362.426,1407 465.33,1408 330,1409 108,1410 324.638,1411 118.581,1412 323.405,1413 463.42,1414 302,1415 4}
{0 CHEMBL192592,1 1.961,2 7,3 4.163,4 17.329,5 74.551,6 19.004,7 0.588,8 3.138,9 3.137,10 3.611,11 3.113,12 4.424,13 2.986,14 3.56,15 3.557,16 4.405,17 3.553,18 4.908,19 3.358,20 3.649,21 3.681,22 4.038,23 3.338,24 5.297,25 3.188,26 3.427,27 3.424,28 3.748,29 3.053,30 5.114,31 2.998,32 3.362,33 3.362,34 4.018,35 3.049,36 5.085,37 2.938,38 3.138,39 3.148,40 3.865,41 2.983,42 4.623,43 2.786,44 2.914,45 2.993,46 4.004,47 2.883,48 3.942,49 2.558,50 2.598,51 2.739,52 3.37,53 2.404,54 3.584,55 2.083,56 0.081,57 0.119,58 15.273,59 0.322,60 10.294,61 0.769,62 0.138,63 0.195,64 31.694,65 1.578,66 19.431,67 1.482,68 0.277,69 0.326,70 48.08,71 4.523,72 48.585,73 3.097,74 0.225,75 0.217,76 30.059,77 2.519,78 33.086,79 1.517,80 0.284,81 0.218,82 18.161,83 2.726,84 41.622,85 1.275,86 0.18,87 0.172,88 19.833,89 2.436,90 21.548,91 1.352,92 0.073,93 0.134,94 29.035,95 2.405,96 6.837,97 1.658,98 0.09,99 0.085,100 34.984,101 1.784,102 7.379,103 1.773,104 17,105 24,106 0.408,107 0.608,108 0.649,109 0.691,110 0.691,111 0.691,112 2.853,113 1.305,114 -4.16,115 -4.1,116 -3.88,120 2,121 50,144 4,154 2,155 2,159 2,176 2,187 8,191 1,192 4,200 2,206 6,219 4,227 4,232 2,239 4,251 5,264 2,277 1,281 252,282 10.361,283 10.361,284 10.361,285 10.361,286 10.361,287 8.948,288 5.035,289 5.968,290 11.115,291 8.335,292 8.335,293 8.335,294 8.335,295 8.335,296 6.114,297 1.941,298 2.83,299 9.737,300 2.361,301 1.4,302 1.2,303 1,304 1,305 1,306 3.489,311 1,312 1,313 232,314 2.828,317 93.709,325 1,326 21.236,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 33.5,338 112,339 4.425,340 3.841,341 6.541,342 4.054,343 3.072,344 4.007,346 10.101,347 3.035,348 4.097,349 3.08,350 5.804,351 3.544,352 2.686,353 3.732,355 8.012,356 2.316,357 3.694,358 2.891,359 5.147,360 3.123,361 2.288,362 3.08,364 6.247,365 1.84,366 3.208,367 2.765,368 4.818,369 2.689,370 1.848,371 2.404,373 5.221,374 1.429,375 2.673,376 1.815,377 4.18,378 2.101,379 1.21,380 1.69,382 3.314,383 0.951,384 2.297,385 1.799,386 3.297,387 1.695,388 0.765,389 1.128,391 1.792,392 0.647,393 2.17,394 0.751,395 3.266,396 1.549,397 0.67,398 0.998,400 1.642,401 0.564,402 2.079,403 0.745,404 3.076,405 1.354,406 0.335,407 0.562,409 0.791,410 0.321,411 0.51,412 0.027,413 2.154,414 -0.072,415 -0.761,416 -0.895,418 -1.785,419 -0.336,420 0.485,421 -0.036,422 1.606,423 -0.115,424 -0.765,425 -0.922,427 -1.787,428 -0.348,429 0.291,430 -0.336,431 1.601,432 -0.246,433 -1.223,434 -1.705,436 -3.148,437 -1.21,438 0.127,439 -1.011,440 1.541,441 -0.336,442 -1.271,443 -1.742,445 -3.663,446 -1.21,447 -0.087,448 -1.434,449 1.259,450 -0.543,451 -1.504,452 -2,454 -4.25,455 -1.336,456 -0.333,457 -1.674,458 1.128,459 -0.873,460 -1.749,461 -2.536,463 -4.765,464 -1.344,465 -0.335,466 -1.676,467 1.123,468 -0.943,469 -1.753,470 -2.537,472 -4.908,473 -1.566,474 10,475 0.625,476 0.511,477 0.032,478 20,479 1.25,480 11,481 0.688,482 9,483 0.563,484 14.884,485 0.93,486 14.6,487 0.73,488 8.689,489 0.543,490 3.258,491 0.204,492 4.317,493 0.27,494 0.333,496 0.3,501 0.547,502 0.634,503 0.537,504 0.551,505 0.529,506 0.533,507 0.658,508 0.855,509 0.535,510 0.582,511 0.671,512 0.671,513 0.962,514 1.355,515 1.077,516 1.352,517 0.901,518 1.24,519 1.791,520 1.183,521 0.918,522 1.07,523 1.964,524 0.954,525 1.787,526 0.796,527 0.813,528 0.783,529 2.116,530 0.743,531 0.887,532 0.962,533 1.086,534 1.277,535 1.003,536 1.113,537 0.29,538 1.247,539 0.961,540 0.92,541 0.095,542 1.284,543 0.728,544 0.887,545 2.597,546 1.449,547 0.181,548 1.627,549 4,551 2.222,552 1.444,553 0.89,554 0.382,555 0.222,556 0.094,557 0.087,559 1839,560 9927,561 1.958,562 20,564 4,572 1.551,573 1.778,574 2.853,575 -0.612,582 39.219,583 1.961,584 2.922,585 3.122,586 3.322,587 3.322,588 3.322,589 2.25,590 2.75,591 3.974,592 2.907,593 348.784,594 6.692,595 2984.49,597 1,600 86.439,601 1.561,602 3.895,603 0.235,605 0.093,606 0.072,607 0.049,608 0.024,609 0.019,610 0.012,611 0.022,613 0.525,614 0.67,615 1,616 0.75,617 64.045,618 -0.018,619 0.06,620 -0.023,621 0.013,622 -0.037,623 0.027,624 -0.011,625 -0.052,626 0.116,627 0.162,628 -0.05,629 0.02,630 0.104,631 -0.3,632 -0.201,633 -0.336,634 0.219,635 -0.196,636 -0.383,637 -0.186,638 -0.183,639 -0.21,640 -0.332,641 -0.193,642 -0.267,643 0.281,644 -0.016,645 0.169,646 -0.358,647 0.085,648 0.062,649 0.064,650 -0.13,651 -0.226,652 -0.064,653 -0.134,654 0.173,655 -0.307,656 0.19,657 0.156,658 0.119,659 -0.024,660 -0.054,661 0.065,662 -0.478,663 -0.081,664 0.099,665 0.1,666 2.12,667 4.799,668 0.625,669 8.438,670 1.046,671 1.059,672 2.93,673 8.585,674 0.96,675 2.89,676 3.219,677 3.434,678 3.611,679 3.555,680 3.497,681 3.367,682 3.219,683 3.091,684 2.944,685 4.225,686 0.872,687 380.08,688 2.89,689 4.419,690 5.252,691 6.12,692 6.973,693 7.841,694 8.699,695 9.567,696 10.428,697 11.295,715 4,719 2,720 4,722 10,727 2,740 2,741 20,743 12,745 17,746 2,747 21,748 10,749 8,752 2,756 2,757 2,772 10,777 2,782 2,786 2,793 4,794 2,796 6,797 4,808 1,809 2,828 2,859 2,862 2,863 2,868 16,888 2,892 2,893 10,896 2,901 9,902 3.786,903 3.5,904 1.064,907 1.667,908 1.294,909 1,910 3.953,911 7.337,912 3.219,913 3.818,914 4.379,915 4.853,916 4.929,917 5.094,918 5.051,919 5.094,920 5.316,921 5.497,922 0.8,923 20,924 5.919,926 2.544,927 0.026,929 8.073,931 10.915,933 8.799,936 2.573,937 41.167,938 0.002,941 47.084,942 115.9,943 91.908,945 50.29,947 62.555,948 145.253,949 97.374,953 37.905,954 60.557,955 2.456,956 2.717,957 201.548,959 47.084,960 53.345,961 50.29,962 62.555,963 91.908,964 47.084,965 50.29,968 2.456,969 50.889,971 154.464,972 47.084,973 50.29,974 207.808,977 47.084,978 77.995,979 37.905,980 91.908,981 50.29,982 47.084,983 50.29,984 207.808,986 0.593,987 0.344,988 0.171,989 0.079,990 12,991 6,992 0.143,993 3,995 1,996 2.79,997 104.725,999 10,1000 48,1001 2,1005 12.431,1006 5.087,1007 2.82,1009 50.29,1010 6.82,1014 2.53,1015 2.606,1018 305.182,1019 24,1024 23.598,1028 -0.907,1031 20.916,1032 21.188,1034 0.454,1035 0.676,1036 0.722,1037 0.769,1038 0.769,1039 0.769,1040 4.437,1041 0.335,1042 5.263,1043 1.642,1044 3.892,1045 4.5,1047 6.061,1048 3.664,1049 5.669,1050 -0.761,1051 6.83,1052 0.791,1053 3.611,1054 4.369,1056 6.94,1057 3.27,1058 6.983,1059 -0.765,1060 8.493,1061 -1.785,1062 5.485,1063 6.686,1065 10.015,1066 5.153,1067 8.335,1068 -1.223,1069 10.21,1070 -1.787,1071 5.994,1072 7.381,1074 11.689,1075 5.644,1076 9.715,1077 -1.271,1078 11.961,1079 -3.148,1080 7.368,1081 9.13,1083 14.295,1084 7.008,1085 11.115,1086 -1.504,1087 13.736,1088 -3.663,1089 8.208,1090 10.184,1092 16.299,1093 7.862,1094 12.53,1095 -1.749,1096 15.53,1097 -4.25,1098 9.405,1099 11.71,1101 18.738,1102 9.054,1103 3.072,1104 -1.753,1105 17.337,1106 -4.765,1107 10.389,1108 12.93,1110 20.894,1111 10.056,1112 2.686,1113 10.101,1114 19.156,1115 -4.908,1116 11.523,1117 14.363,1119 23.263,1120 11.19,1121 2.288,1122 8.012,1123 20.984,1124 4.007,1125 12.573,1126 15.662,1128 25.494,1129 12.253,1130 1.848,1131 6.247,1132 22.819,1133 3.732,1134 13.685,1135 17.056,1137 27.832,1138 13.368,1139 1.21,1140 5.221,1141 24.66,1142 3.08,1143 14.766,1144 18.392,1146 30.101,1147 14.457,1148 0.765,1149 3.314,1150 26.507,1151 2.404,1152 15.874,1153 19.771,1155 32.425,1156 15.567,1157 0.67,1158 1.792,1159 28.358,1160 1.69,1161 16.97,1162 21.126,1164 34.714,1165 16.667,1166 1911,1167 4532,1168 10.751,1169 19.193,1170 26.697,1171 28.072,1172 27.085,1173 26.289,1174 25.75,1175 35.201,1177 74.242,1178 22.206,1179 5.266,1180 5.841,1181 5.813,1182 5.177,1183 5.072,1184 6.645,1186 17.314,1187 4.976,1188 8.94,1189 1.57,1190 1.651,1191 1.593,1192 1.546,1193 1.515,1194 2.071,1196 4.367,1197 1.306,1198 3.946,1199 3.932,1200 6.887,1201 3.998,1202 7.496,1203 3.913,1204 3.8,1205 3.792,1206 6.883,1207 3.897,1208 7.352,1209 3.786,1210 3.309,1211 3.288,1212 4.18,1213 3.172,1214 4.645,1215 3.178,1216 2.648,1217 2.627,1218 4.073,1219 2.637,1220 4.612,1221 2.54,1222 2.422,1223 2.437,1224 3.289,1225 2.499,1226 3.503,1227 2.356,1228 2.388,1229 2.396,1230 2.683,1231 2.397,1232 3.456,1233 2.273,1234 2.083,1235 2.105,1236 2.681,1237 2.133,1238 3.106,1239 1.963,1240 1.998,1241 1.992,1242 2.499,1243 1.732,1244 2.962,1245 1.714,1246 0.26,1247 0.226,1248 0.385,1249 0.238,1250 0.181,1251 4.425,1252 0.236,1253 3.841,1255 6.541,1256 0.594,1257 4.054,1258 0.179,1259 3.072,1260 4.007,1262 10.101,1263 3.035,1264 1.659,1265 1.671,1266 1.7,1267 1.772,1268 0.802,1269 1.753,1270 1.462,1271 1.435,1272 1.59,1273 1.547,1274 0.686,1275 1.574,1276 1.397,1277 1.403,1278 1.313,1279 1.427,1280 0.606,1281 1.471,1282 1.256,1283 1.303,1284 0.936,1285 1.15,1286 0.496,1287 1.259,1288 0.715,1289 0.744,1290 0.631,1291 0.807,1293 0.862,1294 0.004,1295 0.045,1296 0.22,1297 0.457,1299 0.349,1305 0.114,1311 0.107,1312 3.555,1314 4.875,1315 3.045,1316 6.354,1317 5.283,1318 7.904,1319 7.248,1320 9.495,1321 6.52,1340 17.435,1341 39.219,1342 58.439,1343 62.439,1344 66.439,1345 66.439,1346 66.439,1347 31.135,1348 5.67,1349 34.14,1350 90.62,1351 10,1352 11.841,1353 3.7,1354 3,1355 25.951,1356 40,1357 36,1358 0.333,1359 128.425,1360 212.36,1361 305.116,1362 1517,1363 10,1364 11.707,1365 0.732,1366 0.781,1367 14.414,1368 12.503,1369 7.575,1370 0.446,1371 0.435,1372 4.386,1373 5.714,1374 4.042,1375 3.299,1376 9.547,1377 7.393,1378 7.075,1379 0.295,1380 0.325,1381 10.573,1382 7.792,1383 5.787,1384 0.193,1385 0.168,1386 8.557,1387 5.045,1388 4.316,1389 0.12,1390 0.104,1391 6.975,1392 3.742,1393 2.746,1394 0.081,1395 0.07,1396 5.277,1397 2.37,1398 0.501,1399 71.515,1400 0.305,1401 16.052,1402 0.97,1403 82,1404 304.501,1405 306.962,1406 407.033,1407 515.9,1408 374,1409 95,1410 274.225,1411 197.486,1412 335.252,1413 494.68,1414 314,1415 4}
{0 CHEMBL192595,1 1.406,2 8.526,3 2.886,4 8.327,5 77.025,6 7.093,7 0.6,8 3.649,9 3.763,10 3.162,11 3.221,12 4.792,13 3.182,14 4.136,15 4.309,16 3.471,17 3.57,18 5.217,19 3.518,20 4.362,21 4.535,22 3.576,23 3.706,24 5.63,25 3.629,26 4.477,27 4.696,28 3.436,29 3.645,30 5.651,31 3.542,32 4.404,33 4.644,34 3.254,35 3.5,36 5.542,37 3.385,38 4.148,39 4.396,40 3.05,41 3.306,42 5.182,43 3.185,44 3.9,45 4.109,46 2.936,47 3.184,48 4.958,49 3.066,50 3.98,51 4.237,52 2.683,53 3.032,54 5.015,55 2.885,56 0.028,57 0.468,58 7.523,59 3.434,60 9.108,61 4.465,62 0.102,63 0.747,64 13.226,65 5.268,66 14.342,67 7.069,68 0.187,69 0.886,70 16.87,71 6.982,72 42.823,73 9.252,74 0.179,75 0.934,76 20.129,77 7.667,78 45.552,79 10.176,80 0.223,81 0.834,82 19.353,83 7.108,84 52.009,85 9.424,86 0.214,87 0.67,88 14.838,89 5.478,90 33.669,91 7.505,92 0.112,93 0.552,94 10.801,95 4.399,96 16.861,97 6.037,98 0.16,99 0.549,100 12.748,101 4.525,102 32.793,103 6.164,104 18,105 27,106 0.258,107 0.546,108 0.658,109 0.762,110 0.776,111 0.776,112 3.009,113 0.921,114 -3.87,115 -3.83,116 -3.63,121 44.4,126 2,129 1,144 9,145 2,146 1,159 1,176 10,180 3,185 1,187 10,192 5,195 1,197 3,200 6,206 5,211 4,214 4,219 3,224 2,227 8,235 1,237 1,239 9,243 1,244 1,251 6,256 2,264 2,269 2,281 425,282 12.535,283 12.535,284 12.535,285 12.535,286 12.535,287 11.042,288 12.891,289 7.417,290 12.645,291 9.803,292 9.803,293 9.803,294 9.803,295 9.803,296 7.537,297 16.328,298 3.469,299 9.969,300 3.764,301 2.186,302 1.578,303 1.007,304 0.931,305 0.931,306 3.662,310 1,311 1,312 1,313 333,314 3.24,318 134.845,325 1.396,326 18.425,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 40.5,338 162,339 4.321,340 3.83,341 6.527,342 4.046,343 3.046,344 3.821,345 1.848,346 10.029,347 3.045,348 4.062,349 3,350 5.931,351 3.705,352 2.739,353 3.615,354 0.8,355 8.219,356 2.652,357 3.715,358 2.766,359 5.671,360 3.396,361 2.417,362 3.031,363 0.443,364 7.438,365 2.353,366 3.234,367 2.174,368 4.577,369 2.791,370 1.787,371 2.486,373 4.465,374 1.791,375 2.687,376 1.714,377 3.832,378 2.338,379 1.373,380 1.736,382 3.094,383 1.319,384 2.5,385 1.323,386 3.589,387 2.058,388 1.075,389 1.5,391 2.619,392 1.052,393 2.5,394 1.213,395 3.414,396 2,397 1,398 1.5,400 2.275,401 1,402 2.429,403 1,404 3.247,405 2,406 1,407 1.382,409 2.136,410 1,411 1.881,412 1,413 3.078,414 1.451,415 0.448,416 0.595,418 1.031,419 0.439,420 0.805,421 -0.201,422 2.222,423 0.425,424 -0.534,425 -0.659,427 -1.214,428 -0.507,429 0.746,430 -0.241,431 2,432 0.28,433 -0.751,434 -1,436 -1.609,437 -0.767,438 0.5,439 -0.6,440 1.814,442 -1,443 -1.076,445 -2,446 -0.9,447 0.5,448 -0.739,449 1.555,451 -1,452 -1.5,454 -2.347,455 -1,457 -1,458 1.515,459 -0.1,460 -1,461 -1.5,463 -3,464 -1,465 -0.042,466 -1,467 1.244,468 -0.349,469 -1.33,470 -1.543,472 -3.415,473 -1.272,474 9.067,475 0.477,476 0.494,477 0.026,478 25.25,479 1.329,480 14,481 0.737,482 11.25,483 0.592,484 12.085,485 0.636,486 20.333,487 0.565,488 17.814,489 0.938,490 5.348,491 0.281,492 3.745,493 0.197,494 0.184,496 0.32,501 0.788,502 1.201,503 0.853,504 1.039,505 0.77,506 0.968,507 0.953,508 0.913,509 0.904,510 0.87,511 0.751,512 0.86,513 0.82,514 1.191,515 1.001,516 1.196,517 0.803,518 1.133,519 1.259,520 1.077,521 1.059,522 1.111,523 1.287,524 1.068,525 1.432,526 0.919,527 1.02,528 0.944,529 1.529,530 0.937,531 1.064,532 0.806,533 0.935,534 0.824,535 1.171,536 0.861,537 0.665,538 1.15,539 1.046,540 1.183,541 0.66,542 1.171,543 1.371,544 0.98,545 1.094,546 0.947,547 1.283,548 0.985,549 3.5,550 0.037,551 2.667,552 1.438,553 0.973,554 0.597,555 0.243,556 0.174,557 0.131,558 0.07,559 3092,560 7919,561 1.965,562 47.2,564 16,567 1,572 1.601,573 1.81,574 3.107,575 -0.353,577 1,579 1,582 50.63,583 1.406,584 2.984,585 3.592,586 4.163,587 4.239,588 4.239,589 2.55,590 3.722,591 4.218,592 3.219,593 550.49,594 7.175,595 5410.14,596 1,597 1,599 1,600 186.117,601 1.509,602 4.159,603 0.175,604 0.007,605 0.099,606 0.051,607 0.042,608 0.031,609 0.015,610 0.012,611 0.013,612 0.01,613 0.457,614 0.83,615 1,616 0.92,617 82.719,618 -0.052,619 -0.086,620 0.016,621 0.005,622 -0.125,623 0.013,624 -0.1,625 0.196,626 0.018,627 0.116,628 -0.057,629 0.098,630 0.152,631 -0.173,632 -0.067,633 -0.195,634 0.202,635 -0.164,636 -0.076,637 -0.129,638 -0.068,639 -0.142,640 -0.024,641 -0.108,642 -0.115,643 -0.015,644 0.004,645 0.018,646 -0.104,647 0.024,648 0.013,649 0.139,650 0.065,651 0.137,652 -0.076,653 0.109,654 0.113,655 -0.149,656 -0.114,657 -0.196,658 0.033,659 -0.191,660 -0.147,661 -0.069,662 -0.071,663 -0.002,664 -0.121,665 -0.027,666 2.446,667 5.103,668 0.632,669 13.374,670 0.995,671 1.118,672 2.64,673 6.967,674 0.667,675 3.045,676 3.332,677 3.555,678 3.664,679 3.807,680 3.761,681 3.807,682 3.611,683 3.497,684 3.367,685 5.092,686 0.63,687 255.34,688 3.045,689 4.554,690 5.38,691 6.225,692 7.067,693 7.917,694 8.765,695 9.617,696 10.467,697 11.32,698 2.8,704 1,715 9,720 3,722 12,727 1,736 1,741 36,743 13,744 2,745 20,747 37,748 16,749 12,750 3,751 9,752 1,756 2,757 2,770 1,772 13,773 3,777 1,782 1,786 1,790 1,793 17,794 3,795 1,796 3,802 1,808 1,809 2,811 1,829 2,857 1,859 2,864 2,868 19,875 1,880 1,881 1,893 5.6,894 1,896 1,901 10.5,902 6.9,903 4.278,904 1.954,907 2.078,908 1.344,909 0.912,910 4.102,911 8.121,912 3.332,913 3.871,914 4.407,915 4.856,916 5.338,917 5.324,918 5.583,919 5.558,920 5.703,921 5.942,922 0.833,923 28,924 7.041,926 2.931,927 0.026,929 7.868,931 13.236,933 10.422,936 2.368,937 45,938 0.001,941 188.338,942 116.34,943 3.124,945 67.828,948 116.34,949 256.166,950 3.124,951 16.793,953 127.97,954 30.278,955 12.252,957 188.338,959 188.338,960 119.465,961 67.828,964 188.338,965 25.145,966 42.683,969 119.465,972 188.338,973 70.953,974 116.34,977 188.338,978 14.261,979 105.203,981 67.828,982 188.338,983 70.953,984 116.34,986 0.58,987 0.341,988 0.162,989 0.081,990 12,991 6,992 0.108,993 4,995 1,996 3.096,997 130.951,999 12,1000 70.711,1005 13.47,1006 5.786,1007 3.08,1009 70.953,1010 16.161,1015 2.161,1017 42.683,1018 375.631,1019 27,1024 12.103,1028 -0.279,1031 35.825,1032 40.239,1034 0.272,1035 0.577,1036 0.695,1037 0.805,1038 0.82,1039 0.82,1040 4.533,1041 1,1042 5.361,1043 2.275,1044 4.007,1045 4.554,1046 2.139,1047 6.138,1048 3.979,1049 5.722,1050 0.448,1051 6.917,1052 2.136,1053 3.611,1054 4.182,1055 1.327,1056 7.029,1057 3.549,1058 7.004,1059 -0.534,1060 8.578,1061 1.031,1062 5.572,1063 6.654,1064 2.942,1065 10.087,1066 5.521,1067 8.323,1068 -0.751,1069 10.299,1070 -1.214,1071 5.994,1072 7.062,1073 2.659,1074 11.774,1075 5.915,1076 9.673,1077 -1,1078 12.058,1079 -1.609,1080 7.438,1081 9.015,1082 3.989,1083 14.355,1084 7.368,1085 11.045,1086 -1,1087 13.841,1088 -2,1089 8.215,1090 9.792,1091 4.011,1092 16.356,1093 8.128,1094 12.433,1095 -1,1096 15.64,1097 -2.347,1098 9.451,1099 11.494,1100 5.118,1101 18.768,1102 9.369,1103 3.046,1104 -1.33,1105 17.452,1106 -3,1107 10.393,1108 12.476,1109 5.333,1110 20.913,1111 10.302,1112 2.739,1113 10.029,1114 19.272,1115 -3.415,1116 11.541,1117 14.036,1118 6.282,1119 23.258,1120 11.455,1121 2.417,1122 8.219,1123 21.098,1124 3.821,1125 12.561,1126 15.142,1127 6.624,1128 25.476,1129 12.473,1130 1.787,1131 7.438,1132 22.93,1133 3.615,1134 13.675,1135 16.615,1136 7.467,1137 27.795,1138 13.59,1139 1.373,1140 4.465,1141 24.767,1142 3.031,1143 14.734,1144 17.8,1145 7.895,1146 30.051,1147 14.649,1148 1.075,1149 3.094,1150 26.607,1151 2.486,1152 15.835,1153 19.22,1154 8.665,1155 32.359,1156 15.754,1157 1,1158 2.619,1159 28.451,1160 1.736,1161 16.914,1162 20.456,1163 9.152,1164 34.636,1165 16.835,1166 3168,1167 5150,1168 12.83,1169 24.006,1170 30.357,1171 30.803,1172 31.133,1173 29.84,1174 29.769,1175 39.332,1176 6.182,1177 82.612,1178 29.3,1179 5.145,1180 5.83,1181 6.329,1182 5.046,1183 5.046,1184 6.821,1185 3.376,1186 17.156,1187 5.045,1188 10.3,1189 1.518,1190 1.54,1191 1.557,1192 1.492,1193 1.488,1194 1.967,1195 0.309,1196 4.131,1197 1.465,1198 3.99,1199 4.015,1200 3.934,1201 3.917,1202 7.428,1203 3.917,1204 3.869,1205 3.901,1206 3.803,1207 3.805,1208 6.444,1209 3.8,1210 3.514,1211 3.58,1212 3.408,1213 3.31,1214 4.743,1215 3.326,1216 3.301,1217 3.34,1218 3.168,1219 3.097,1220 4.707,1221 3.104,1222 2.874,1223 3.009,1224 2.72,1225 2.735,1226 4.178,1227 2.715,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 2.854,1235 2.925,1236 2.687,1237 2.692,1238 3.674,1239 2.686,1240 2.846,1241 2.885,1242 2.499,1243 2.618,1244 3.597,1245 2.57,1246 0.216,1247 0.192,1248 0.326,1249 0.202,1250 0.152,1251 4.321,1252 0.191,1253 3.83,1254 0.092,1255 6.527,1256 0.501,1257 4.046,1258 0.152,1259 3.046,1260 3.821,1261 1.848,1262 10.029,1263 3.045,1264 1.952,1265 1.931,1266 2.056,1267 2.048,1268 1.181,1269 2.051,1270 1.871,1271 1.843,1272 1.994,1273 1.963,1274 1.065,1275 1.975,1276 1.462,1277 1.398,1278 1.733,1279 1.709,1280 0.821,1281 1.719,1282 1.246,1283 1.2,1284 1.434,1285 1.475,1286 0.539,1287 1.462,1288 0.934,1289 0.821,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 0.886,1301 0.804,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.818,1307 0.772,1308 1.061,1309 1.034,1310 0.16,1311 1.033,1312 3.714,1314 5.004,1316 6.5,1318 8.075,1320 9.688,1322 3.89,1327 10.109,1332 -1.112,1333 1.967,1340 22.665,1341 50.63,1342 107.407,1343 129.323,1344 149.853,1345 152.608,1346 152.608,1347 36.642,1348 6.043,1349 40.54,1350 40.54,1351 12,1352 11.876,1353 3.807,1354 3,1355 33.737,1356 57,1357 52,1358 0.296,1359 143.756,1360 248.94,1361 342.525,1362 2624,1364 13.828,1365 0.728,1366 0.583,1367 13.828,1368 11.076,1369 9.092,1370 0.455,1371 0.307,1372 6.071,1373 8.85,1374 5.832,1375 4.919,1376 9.092,1377 6.14,1378 8.035,1379 0.298,1380 0.171,1381 8.035,1382 4.619,1383 6.726,1384 0.198,1385 0.089,1386 6.726,1387 3.032,1388 4.856,1389 0.128,1390 0.049,1391 4.856,1392 1.866,1393 3.552,1394 0.081,1395 0.027,1396 3.552,1397 1.166,1398 0.457,1399 56.452,1400 0.279,1401 19.081,1402 0.825,1403 94,1404 265.53,1405 99.956,1406 260.576,1407 347.53,1408 242,1409 108,1410 243.022,1411 114.926,1412 252.418,1413 363.37,1414 235,1415 4}
{0 CHEMBL192625,1 1.272,2 8.333,3 4.092,4 16.748,5 72.155,6 7.447,7 0.632,8 3.522,9 3.62,10 3.084,11 3.188,12 4.7,13 3.141,14 3.995,15 4.146,16 3.409,17 3.528,18 5.139,19 3.468,20 4.207,21 4.357,22 3.491,23 3.617,24 5.592,25 3.543,26 4.29,27 4.505,28 3.293,29 3.46,30 5.55,31 3.368,32 4.066,33 4.279,34 3.143,35 3.209,36 5.381,37 3.161,38 3.695,39 3.816,40 3.01,41 3.107,42 5.058,43 3.061,44 3.816,45 4,46 2.786,47 3.087,48 5.03,49 2.977,50 3.703,51 3.935,52 2.42,53 2.893,54 4.727,55 2.736,56 0.007,57 0.356,58 5.846,59 3.071,60 4.123,61 3.891,62 0.03,63 0.583,64 10.462,65 5.042,66 10.516,67 6.529,68 0.142,69 0.713,70 13.353,71 6.112,72 40.595,73 7.796,74 0.138,75 0.778,76 16.536,77 6.653,78 40.123,79 8.455,80 0.201,81 0.606,82 13.856,83 5.083,84 51.691,85 6.077,86 0.082,87 0.411,88 8.007,89 3.438,90 23.099,91 3.977,92 0.127,93 0.476,94 9.904,95 4.035,96 33.328,97 4.92,98 0.134,99 0.432,100 9.408,101 3.713,102 33.224,103 4.741,104 17,105 26,106 0.237,107 0.504,108 0.551,109 0.598,110 0.598,111 0.598,112 2.96,113 0.916,114 -4.63,115 -4.55,116 -4.28,121 50,122 2,144 8,145 4,159 2,176 14,180 2,187 16,191 1,192 6,200 11,206 8,214 6,219 6,227 8,232 4,239 10,244 2,251 10,264 8,277 5,281 360,282 11.776,283 11.776,284 11.776,285 11.776,286 11.776,287 10.103,288 6.598,289 6.868,290 11.728,291 9.301,292 9.301,293 9.301,294 9.301,295 9.301,296 6.769,297 3.53,298 3.247,299 9.189,300 3.728,301 2.297,302 2.047,303 1.797,304 1.797,305 1.797,306 3.609,310 1,311 1,312 1,313 310,314 2.828,318 125.198,325 1.259,326 19.967,328 1,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 38,338 150,339 4.394,340 3.837,341 6.527,342 4.078,343 3.045,344 3.947,346 10.029,347 3.141,348 4.024,349 2.995,350 5.723,351 3.611,352 2.607,353 3.639,355 7.669,356 2.618,357 3.743,358 2.592,359 5.078,360 3.347,361 2.338,362 3.182,364 6.147,365 2.355,366 3.451,367 2.552,368 4.967,369 3.091,370 2.083,371 2.759,373 5.807,374 2.099,375 2.905,376 1.884,377 4.414,378 2.446,379 1.414,380 2.012,382 3.932,383 1.453,384 2.5,385 1.863,386 3.414,387 2,388 1,389 1.5,391 2.275,392 1,393 2.5,394 1,395 3.414,396 2,397 1,398 1.5,400 2.275,401 1,402 2.293,403 1,404 3.27,405 1.668,406 0.565,407 0.884,409 1.3,410 0.617,411 1.115,412 0.214,413 2.321,414 0.771,415 -0.24,416 -0.302,418 -0.516,419 -0.242,420 1.114,421 0.131,422 2,423 0.733,424 -0.309,425 -0.423,427 -0.648,428 -0.321,429 0.5,430 -0.361,431 2,433 -1,434 -1.5,436 -2.902,437 -1,438 0.5,439 -0.899,440 1.795,442 -1,443 -1.5,445 -2.982,446 -1,447 0.263,448 -1,449 1.586,450 -0.133,451 -1.209,452 -1.539,454 -3,455 -1.258,456 0.009,457 -1,458 1.396,459 -0.212,460 -1.233,461 -1.577,463 -3,464 -1.259,465 -0.098,466 -1.158,467 1.224,468 -0.375,469 -1.414,470 -2,472 -3.564,473 -1.514,474 8.667,475 0.481,476 0.511,477 0.028,478 25,479 1.389,480 15,481 0.833,482 10,483 0.556,484 10.806,485 0.6,486 18.333,487 0.573,488 16.968,489 0.943,490 5.166,491 0.287,492 3.409,493 0.189,494 0.192,496 0.346,501 0.471,502 0.939,503 0.765,504 0.938,505 0.532,506 0.898,507 0.553,508 0.933,509 0.738,510 0.925,511 0.584,512 0.867,513 0.688,514 1.233,515 0.987,516 1.226,517 0.692,518 1.159,519 1.287,520 1.078,521 0.995,522 1.058,523 1.263,524 0.999,525 1.994,526 0.694,527 0.937,528 0.667,529 1.968,530 0.663,531 1.695,532 1.123,533 1.209,534 1.108,535 1.692,536 1.096,537 1.594,538 1.056,539 1.344,540 1.069,541 1.582,542 1.157,543 1.415,544 0.87,545 1.29,546 0.9,547 1.396,548 1.049,549 4,550 0.041,551 2.667,552 1.25,553 1.084,554 0.583,555 0.242,556 0.174,557 0.131,558 0.04,559 2639,560 6843,561 1.963,562 43.8,563 6,564 8,572 1.586,573 1.8,574 3.069,575 -0.873,577 1,582 40.697,583 1.272,584 2.703,585 2.953,586 3.203,587 3.203,588 3.203,589 2.503,590 2.725,591 4.141,592 3.132,593 479.12,594 7.023,595 4487.56,597 1,599 1,600 160,601 1.53,602 4.076,603 0.211,604 0.021,605 0.103,606 0.048,607 0.054,608 0.032,609 0.015,610 0.014,611 0.016,612 0.008,613 0.522,614 0.83,615 1,616 0.714,617 76.371,619 0.03,620 0.019,621 0.03,622 -0.057,623 0.028,624 0.042,625 0.036,626 0.121,627 0.047,628 0.013,629 0.087,630 0.228,631 -0.273,632 -0.086,633 -0.271,634 0.228,635 -0.229,636 -0.035,637 -0.112,638 0.027,639 -0.098,640 -0.01,641 -0.038,642 -0.196,643 0.285,644 0.159,645 0.291,646 -0.172,647 0.275,648 -0.221,649 -0.157,650 -0.273,651 -0.169,652 -0.215,653 -0.218,654 -0.27,655 -0.089,656 -0.36,657 -0.116,658 -0.257,659 -0.228,660 -0.27,661 0.102,662 -0.273,663 0.07,664 -0.252,665 -0.074,666 2.126,667 4.992,668 0.667,669 11.556,670 0.995,671 1.104,672 3.398,673 11.545,674 0.695,675 2.996,676 3.296,677 3.497,678 3.611,679 3.807,680 3.714,681 3.611,682 3.497,683 3.367,684 3.219,685 4.803,686 0.66,687 238.3,688 2.996,689 4.511,690 5.333,691 6.18,692 7.02,693 7.871,694 8.717,695 9.569,696 10.417,697 11.27,715 8,720 4,722 12,727 2,741 32,743 14,744 2,745 19,747 33,748 16,749 12,750 4,751 8,752 2,756 2,757 2,763 2,772 14,773 2,777 2,782 2,786 2,790 1,793 14,794 2,796 2,808 1,809 2,829 2,859 2,864 2,868 18,893 6.3,896 2,901 10,902 6.5,903 4,904 1.882,907 2.117,908 1.356,909 0.962,910 3.384,911 8.057,912 3.332,913 3.912,914 4.46,915 4.896,916 5.405,917 5.44,918 5.538,919 5.538,920 5.668,921 5.901,922 0.833,923 26,924 6.674,926 2.804,927 0.026,929 7.944,931 12.475,933 9.863,936 2.444,937 44,938 0.001,941 164.795,942 116.47,945 50.29,948 116.47,949 215.085,951 17.65,953 75.81,954 60.557,955 12.742,957 164.795,959 164.795,960 116.47,961 50.29,964 164.795,965 50.29,968 17.65,969 98.819,972 164.795,973 50.29,974 116.47,977 164.795,978 23.009,979 93.46,981 50.29,982 164.795,983 50.29,984 116.47,986 0.586,987 0.337,988 0.157,989 0.089,990 12,991 6,992 0.091,993 3,995 1,996 2.996,997 121.917,999 12,1000 49.059,1005 12.254,1006 4.971,1007 2.742,1009 50.29,1010 14.053,1015 3.001,1018 331.555,1019 27,1024 23.984,1028 -0.919,1031 31.84,1032 35.325,1034 0.254,1035 0.541,1036 0.591,1037 0.641,1038 0.641,1039 0.641,1040 4.533,1041 0.565,1042 5.323,1043 2.275,1044 3.97,1045 4.595,1047 6.089,1048 4,1049 5.751,1050 -0.24,1051 6.872,1052 1.3,1053 3.611,1054 4.369,1056 6.94,1057 3.674,1058 7.052,1059 -0.309,1060 8.52,1061 -0.516,1062 5.533,1063 6.759,1065 9.987,1066 5.598,1067 8.386,1068 -1,1069 10.223,1070 -0.648,1071 5.943,1072 7.282,1074 11.633,1075 6.058,1076 9.748,1077 -1,1078 11.962,1079 -2.902,1080 7.371,1081 9.162,1083 14.231,1084 7.485,1085 11.129,1086 -1.209,1087 13.727,1088 -2.982,1089 8.128,1090 10.035,1092 16.219,1093 8.298,1094 12.525,1095 -1.233,1096 15.512,1097 -3,1098 9.359,1099 11.685,1101 18.652,1102 9.537,1103 3.045,1104 -1.414,1105 17.312,1106 -3,1107 10.287,1108 12.748,1110 20.802,1111 10.517,1112 2.607,1113 10.029,1114 19.124,1115 -3.564,1116 11.435,1117 14.276,1119 23.166,1120 11.684,1121 2.338,1122 7.669,1123 20.946,1124 3.947,1125 12.449,1126 15.452,1128 25.393,1129 12.745,1130 2.083,1131 6.147,1132 22.777,1133 3.639,1134 13.565,1135 16.909,1137 27.726,1138 13.887,1139 1.414,1140 5.807,1141 24.615,1142 3.182,1143 14.624,1144 18.155,1146 29.991,1147 14.987,1148 1,1149 3.932,1150 26.458,1151 2.759,1152 15.729,1153 19.571,1155 32.309,1156 16.122,1157 1,1158 2.275,1159 28.307,1160 2.012,1161 16.811,1162 20.861,1164 34.594,1165 17.242,1166 2705,1167 4450,1168 12.137,1169 22.239,1170 28.882,1171 30.258,1172 29.824,1173 28.146,1174 28.104,1175 38.844,1177 78.867,1178 28.565,1179 5.215,1180 5.837,1181 5.942,1182 5.078,1183 5.045,1184 6.947,1186 17.155,1187 5.141,1188 9.899,1189 1.52,1190 1.593,1191 1.57,1192 1.481,1193 1.479,1194 2.044,1196 4.151,1197 1.503,1198 3.995,1199 4.013,1200 3.947,1201 3.931,1202 7.497,1203 3.931,1204 3.881,1205 3.91,1206 3.813,1207 3.83,1208 7.352,1209 3.822,1210 3.47,1211 3.482,1212 3.414,1213 3.314,1214 4.729,1215 3.334,1216 3.167,1217 3.241,1218 3.004,1219 3.026,1220 4.694,1221 3.01,1222 2.968,1223 3.04,1224 2.756,1225 2.74,1226 3.862,1227 2.736,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.823,1233 2.715,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 3.674,1239 2.715,1240 2.574,1241 2.617,1242 2.419,1243 2.325,1244 3.674,1245 2.319,1246 0.231,1247 0.202,1248 0.344,1249 0.215,1250 0.16,1251 4.394,1252 0.208,1253 3.837,1255 6.527,1256 0.528,1257 4.078,1258 0.165,1259 3.045,1260 3.947,1262 10.029,1263 3.141,1264 1.962,1265 1.944,1266 2.065,1267 2.044,1268 1.163,1269 2.05,1270 1.893,1271 1.867,1272 2.02,1273 1.97,1274 1.12,1275 1.988,1276 1.404,1277 1.385,1278 1.603,1279 1.594,1280 0.672,1281 1.587,1282 1.19,1283 1.12,1284 1.519,1285 1.395,1286 0.594,1287 1.441,1288 0.941,1289 0.875,1290 1.19,1291 1.219,1292 0.218,1293 1.223,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.16,1305 1.107,1306 0.527,1307 0.461,1308 0.829,1309 0.785,1311 0.785,1312 3.664,1314 4.963,1316 6.46,1318 8.035,1320 9.647,1322 3.881,1340 21.117,1341 40.697,1342 86.49,1343 94.49,1344 102.49,1345 102.49,1346 102.49,1347 35.561,1348 5.94,1349 34.14,1350 34.14,1351 12,1352 11.827,1353 3.907,1354 3.17,1355 31.033,1356 51,1357 50,1358 0.306,1359 134.034,1360 235.3,1361 318.804,1362 2279,1364 13.121,1365 0.729,1366 0.58,1367 13.121,1368 10.435,1369 8.575,1370 0.451,1371 0.305,1372 5.773,1373 8.449,1374 5.511,1375 4.66,1376 8.575,1377 5.801,1378 7.758,1379 0.298,1380 0.169,1381 7.758,1382 4.39,1383 6.438,1384 0.201,1385 0.089,1386 6.438,1387 2.834,1388 4.482,1389 0.124,1390 0.046,1391 4.482,1392 1.672,1393 3.565,1394 0.081,1395 0.027,1396 3.565,1397 1.175,1398 0.469,1399 52.607,1400 0.287,1401 18.097,1402 0.865,1403 90,1404 265.471,1405 94.207,1406 261.992,1407 347.86,1408 242,1409 103,1410 243.273,1411 107.761,1412 252.833,1413 363.76,1414 236,1415 4}
{0 CHEMBL192627,1 1.459,2 4.5,3 1.883,4 3.545,5 50.194,6 20.488,8 2.689,9 2.641,10 3.067,11 2.554,12 4.226,13 2.549,14 3.111,15 3.047,16 3.582,17 2.93,18 4.78,19 2.922,20 3.379,21 3.269,22 4.191,23 3.047,24 5.56,25 3.049,26 2.925,27 2.788,28 3.884,29 2.5,30 5.302,31 2.509,32 1.786,33 1.632,34 3.006,35 1.453,36 4.428,37 1.359,56 0.246,57 0.088,58 7.035,59 0.024,60 34.83,61 0.018,62 0.368,63 0.131,64 11.081,65 0.048,66 52.246,67 0.035,68 0.427,69 0.151,70 14.552,71 0.707,72 55.389,73 0.174,74 0.243,75 0.085,76 9.012,77 0.683,78 29.267,79 0.156,80 0.064,81 0.024,82 3.244,83 0.41,84 14.271,85 0.095,104 37,105 18,106 0.365,107 0.48,108 0.48,109 0.48,110 0.48,111 0.48,112 2.602,113 1.044,114 -3.48,115 -3.46,116 -3.31,121 50,140 4,158 2,192 4,200 2,206 4,214 2,218 1,227 2,281 60,282 7.243,283 7.243,284 7.243,285 7.243,286 7.243,287 6.357,288 3.142,289 3.853,290 7.546,291 5.743,292 5.743,293 5.743,294 5.743,295 5.743,296 4.402,297 1.643,298 1.725,299 6.487,300 2.126,301 1.667,302 1.667,303 1.667,304 1.667,305 1.667,306 3.174,308 4,312 1,313 102,314 1.732,318 37.6,325 0.5,326 26.055,329 1,330 0.83,331 1,332 0.4,334 1,335 1,336 0.75,337 27.333,338 54,339 4.618,340 3.968,341 6.828,342 4.161,343 3.236,344 4.145,346 10.928,347 2.929,348 3.791,349 3.445,350 5.791,351 3.298,352 2.303,353 3.119,355 7.292,356 2.246,357 3.618,358 3.035,359 5.791,360 3.108,361 2.303,362 2.791,364 7.292,365 1.704,366 2.382,367 2.398,368 3.618,369 1.597,370 0.618,371 0.965,373 1.464,374 0.509,375 1.618,376 1.904,377 3.618,378 1.22,379 0.618,380 0.618,382 1.464,383 0.306,384 1.382,385 1.801,386 2,387 0.732,394 -0.106,395 2,396 -0.394,397 -1.236,398 -1.432,400 -2.928,401 -0.704,403 -0.286,404 1.382,405 -0.431,406 -1.303,407 -1.583,409 -3.292,410 -0.776,412 -0.475,413 1.382,414 -0.708,415 -1.303,416 -1.618,418 -3.292,419 -1.246,421 -1.3,422 1.209,423 -0.764,424 -1.618,425 -1.791,427 -5.464,428 -1.306,429 -0.618,430 -1.344,431 1.209,432 -0.82,433 -1.618,434 -2.527,436 -5.464,437 -1.662,438 -0.791,439 -2,440 1.172,441 -1,442 -2,443 -2.687,445 -8,446 -2,474 6.524,475 0.544,476 0.536,477 0.045,478 13.5,479 1.125,480 6,481 0.5,482 7.5,483 0.625,484 9.283,485 0.774,486 12.676,487 1.056,488 8.254,489 0.688,490 2.708,491 0.226,492 2.756,493 0.23,494 0.54,496 0.46,501 0.907,502 0.894,503 0.748,504 0.459,505 0.806,506 0.467,507 1.21,508 1.193,509 0.997,510 0.612,511 1.074,512 0.622,513 1.053,514 1.06,515 1.144,516 1.309,517 1.111,518 1.305,519 0.935,520 0.961,521 1.255,522 1.832,523 1.139,524 1.816,549 3,551 2.667,552 1.5,553 0.907,559 570,560 5364,561 1.732,572 1.469,573 1.5,574 2.241,575 -0.484,582 17.51,583 1.459,584 1.918,585 1.918,586 1.918,587 1.918,588 1.918,589 1,590 1,591 3.563,592 2.134,593 140.839,594 5.91,595 1028.39,597 1,600 43.02,601 1,602 3.396,603 0.25,605 0.148,606 0.071,607 0.076,613 0.545,614 1,615 1,616 0.799,617 40.226,624 -0.327,625 -0.317,626 -0.21,627 -0.001,628 -0.253,629 -0.006,630 -0.146,631 -0.15,632 -0.196,633 -0.285,634 -0.177,635 -0.283,636 -0.01,637 -0.024,638 -0.184,639 -0.499,640 -0.121,641 -0.491,642 1.02,643 1.048,644 1.369,645 1.998,646 1.242,647 1.981,666 2.395,667 3.991,668 0.5,669 5,670 1.143,671 1.085,672 2.254,673 5.081,674 0.989,675 2.565,676 2.944,677 3.219,678 3.219,679 3.219,680 2.944,681 1.946,685 2.86,686 0.983,687 245.86,688 2.565,689 4.111,690 4.977,691 5.855,692 6.735,693 7.615,694 8.496,695 9.378,696 10.259,697 11.14,741 12,743 4,745 12,747 12,748 6,752 6,753 4,756 1,757 1,758 4,772 6,776 4,777 4,782 2,786 6,794 2,796 6,797 4,808 1,809 2,829 1,841 2,849 4,859 1,865 4,868 12,892 4,893 16.7,896 2,901 8,902 2.405,903 2.667,904 0.601,907 0.998,908 1.202,909 0.92,910 2.832,911 5.932,912 2.833,913 3.434,914 3.97,915 4.205,916 4.443,917 4.394,918 3.611,922 0.25,923 21,924 4.391,925 0.006,926 1.964,927 0.026,929 8.87,931 7.376,932 0.003,933 5.714,934 0.005,936 3.37,937 40.444,938 0.002,942 24.269,944 156.595,945 50.29,948 24.269,949 206.884,954 74.559,958 156.595,960 24.269,961 50.29,962 156.595,965 50.29,969 10.267,970 170.597,973 50.29,974 180.864,978 24.269,981 206.884,983 50.29,984 180.864,986 0.619,987 0.403,988 0.166,989 0.069,990 9,991 6,995 1,996 2.12,997 68.544,999 6,1000 23.02,1005 10.058,1006 3.379,1007 1.553,1009 50.29,1018 231.154,1019 16,1024 21.981,1028 -3.028,1031 13.717,1032 13.025,1034 0.407,1035 0.535,1036 0.535,1037 0.535,1038 0.535,1039 0.535,1040 4.111,1041 -1.303,1042 5.056,1043 -2.928,1044 3.611,1045 4.111,1047 5.953,1048 3.367,1049 5.398,1050 -1.303,1051 6.72,1052 -3.292,1053 3.611,1054 4.29,1056 7.05,1057 3.219,1058 6.777,1059 -1.618,1060 8.479,1061 -3.292,1062 5.323,1063 6.351,1065 10.17,1066 4.928,1067 8.188,1068 -1.618,1069 10.282,1070 -5.464,1071 6.043,1072 7.245,1074 11.942,1075 5.465,1076 9.624,1077 -2,1078 12.109,1079 -5.464,1080 7.353,1081 8.879,1083 14.658,1084 6.779,1085 11.077,1087 13.952,1088 -8,1089 8.343,1090 10.061,1092 16.728,1093 7.604,1094 12.543,1096 15.806,1098 9.545,1099 11.555,1101 19.287,1102 8.774,1103 3.236,1105 17.669,1107 10.642,1108 12.867,1110 21.51,1111 9.73,1112 2.303,1113 10.928,1114 19.539,1116 11.818,1117 14.312,1119 23.991,1120 10.842,1121 2.303,1122 7.292,1123 21.416,1124 4.145,1125 12.958,1126 15.683,1128 26.295,1129 11.859,1130 0.618,1131 7.292,1132 23.298,1133 3.119,1134 14.129,1135 17.111,1137 28.735,1138 12.948,1139 0.618,1140 1.464,1141 25.186,1142 2.791,1143 15.288,1144 18.509,1146 31.08,1147 13.995,1149 1.464,1150 27.077,1151 0.965,1152 16.459,1153 19.931,1155 33.498,1156 15.074,1157 -1.236,1159 28.973,1160 0.618,1161 17.627,1162 21.342,1164 35.865,1165 16.135,1166 708,1167 2192,1168 6.592,1169 11.863,1170 18.819,1171 22.061,1172 21.294,1173 18.434,1174 18.155,1175 23.276,1177 56.879,1178 15.388,1179 5.409,1180 5.968,1181 5.657,1182 5.161,1183 5.236,1184 6.832,1186 18.928,1187 4.929,1188 8.324,1189 1.568,1190 1.838,1191 1.775,1192 1.536,1193 1.513,1194 1.94,1196 4.74,1197 1.282,1198 3.891,1199 3.869,1200 4.216,1201 3.826,1202 7.438,1203 3.826,1204 3.078,1205 3.049,1206 3.813,1207 3.071,1208 7.418,1209 3.034,1210 3.047,1211 3,1212 3.452,1213 2.796,1214 4.965,1215 2.847,1216 2.215,1217 2.136,1218 3.278,1219 1.85,1220 4.808,1221 1.908,1222 1.808,1223 1.717,1224 2.799,1225 1.786,1226 4.441,1227 1.67,1228 1.736,1229 1.638,1230 2.778,1231 1.592,1232 4.401,1233 1.521,1234 0.728,1235 0.634,1236 1.55,1237 0.579,1238 3.015,1239 0.513,1240 0.599,1241 0.514,1242 1.471,1243 0.557,1244 2.381,1245 0.469,1246 0.385,1247 0.331,1248 0.569,1249 0.347,1250 0.27,1251 4.618,1252 0.345,1253 3.968,1255 6.828,1256 0.911,1257 4.161,1258 0.244,1259 3.236,1260 4.145,1262 10.928,1263 2.929,1264 1.785,1265 1.802,1266 1.701,1267 1.866,1268 0.876,1269 1.848,1270 0.958,1271 0.981,1272 0.781,1273 1.119,1274 0.039,1275 1.02,1276 0.82,1277 0.857,1278 0.741,1279 0.963,1281 0.994,1285 0.246,1287 0.133,1312 3.219,1314 4.575,1316 6.151,1318 7.823,1320 9.543,1323 21.491,1340 11.793,1341 17.51,1342 23.02,1343 23.02,1344 23.02,1345 23.02,1346 23.02,1347 32.845,1348 4.934,1349 34.14,1350 34.14,1351 6,1352 11.675,1353 2.322,1354 2.322,1355 21.598,1356 24,1357 10,1358 0.605,1359 90.546,1360 167.86,1361 212.691,1362 486,1363 33.3,1364 9.464,1365 0.789,1366 0.696,1367 11.464,1368 8.352,1369 5.464,1370 0.455,1371 0.348,1372 2.756,1373 4.282,1374 2.577,1375 2.065,1376 6.619,1377 4.176,1378 5.155,1379 0.286,1380 0.19,1381 6.488,1382 3.426,1383 4.976,1384 0.207,1385 0.117,1386 7.246,1387 2.819,1388 2.873,1389 0.12,1390 0.059,1391 4.183,1392 1.409,1393 1.659,1394 0.069,1395 0.032,1396 2.471,1397 0.771,1398 0.828,1399 46.641,1400 0.389,1401 11.444,1402 2.044,1403 60,1404 300.285,1405 126.285,1406 402.149,1407 480.28,1408 364,1409 72,1410 234.724,1411 141.511,1412 275.332,1413 411.22,1414 256,1415 6.788}
{0 CHEMBL192648,1 1.374,2 7.765,3 2.839,4 8.058,5 63.392,6 8.379,7 0.667,8 3.391,9 3.464,10 3.038,11 3.043,12 4.707,13 3.03,14 3.806,15 3.897,16 3.357,17 3.376,18 5.249,19 3.345,20 4.056,21 4.206,22 3.398,23 3.44,24 5.408,25 3.398,26 4.056,27 4.212,28 3.233,29 3.254,30 5.504,31 3.226,32 3.845,33 4.014,34 2.972,35 3.081,36 5.179,37 3.032,38 3.625,39 3.819,40 2.751,41 2.958,42 4.755,43 2.862,44 3.538,45 3.741,46 2.676,47 2.721,48 5.147,49 2.636,50 3.193,51 3.398,52 2.326,53 2.331,54 4.525,55 2.286,56 0.05,57 0.292,58 4.005,59 2.427,60 11.655,61 2.601,62 0.141,63 0.451,64 6.431,65 3.774,66 32.034,67 4.286,68 0.122,69 0.598,70 10.282,71 5.06,72 23.304,73 5.949,74 0.277,75 0.587,76 11.809,77 4.847,78 57.358,79 5.017,80 0.252,81 0.479,82 9.929,83 3.978,84 57.474,85 4.204,86 0.09,87 0.398,88 7.385,89 3.433,90 20.895,91 4.349,92 0.265,93 0.36,94 7.532,95 3.083,96 59.175,97 4.036,98 0.084,99 0.252,100 5.359,101 2.143,102 16.71,103 2.614,104 11,105 24,106 0.266,107 0.463,108 0.556,109 0.703,110 0.805,111 0.805,112 2.907,113 0.852,114 -4.37,115 -4.3,116 -4.06,121 51.9,144 9,145 3,159 1,160 1,170 1,174 1,176 12,177 1,180 3,183 1,185 1,187 13,188 2,192 6,197 2,200 10,201 2,206 6,211 2,214 8,215 1,219 3,224 1,227 10,233 1,239 8,240 1,243 1,244 1,247 1,249 1,251 4,252 2,256 2,261 2,264 1,265 2,269 2,274 2,278 1,281 305,282 11.328,283 11.328,284 11.328,285 11.328,286 11.328,287 9.68,288 3.569,289 6.775,290 11.309,291 8.846,292 8.846,293 8.846,294 8.846,295 8.846,296 6.383,297 2.067,298 3.181,299 8.794,300 3.381,301 2.363,302 1.881,303 1.121,304 0.593,305 0.593,306 3.559,311 1,312 1,313 272,314 2.739,318 114.498,325 1.308,326 22.787,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 37,338 132,339 4.344,340 3.596,341 6.393,342 4.003,343 2.984,344 3.94,345 1.437,346 9.674,347 3.038,348 4.072,349 3.557,350 5.912,351 3.706,352 2.701,353 3.59,355 8.143,356 2.703,357 3.627,358 2.324,359 5.225,360 3.191,361 2.189,362 3.056,364 6.3,365 2.189,366 3.068,367 2.148,368 4,369 2.579,370 1.565,371 2.259,373 3.458,374 1.58,375 2.736,376 1.669,377 3.694,378 2.232,379 1.225,380 1.759,382 2.858,383 1.219,384 2.5,385 1.323,386 3.414,387 2,388 1,389 1.5,391 2.275,392 1,393 2.5,394 1,395 3.286,396 2,397 1,398 1.5,400 2.136,401 1,402 2.345,403 1,404 3.247,405 1.756,406 0.697,407 1.091,409 1.703,410 0.73,411 0.961,412 0.457,413 2.281,414 0.506,415 -0.516,416 -0.686,418 -1.186,419 -0.517,420 0.746,421 -0.175,422 2,423 0.28,424 -0.757,425 -1.12,427 -1.616,428 -0.78,429 0.5,430 -0.566,431 1.801,433 -1,434 -1.377,436 -2,437 -0.972,438 0.5,439 -1,440 1.555,442 -1,443 -1.5,445 -2.347,446 -1,447 0.432,448 -1,449 1.407,450 -0.009,451 -1,452 -1.5,454 -3,455 -1,456 -0.063,457 -1.172,458 1,459 -0.412,460 -1.456,461 -1.919,463 -4.128,464 -1.534,465 -0.5,466 -1.59,467 1,468 -0.708,469 -1.708,470 -2.208,472 -4.789,473 -1.731,474 8,475 0.471,476 0.404,477 0.024,478 24.75,479 1.456,480 15,481 0.882,482 9.75,483 0.574,484 8.441,485 0.497,486 17.2,487 0.637,488 16.58,489 0.975,490 5.268,491 0.31,492 2.914,493 0.171,494 0.125,496 0.313,501 0.665,502 0.827,503 0.701,504 0.822,505 0.671,506 0.782,507 0.427,508 1.031,509 0.792,510 1.043,511 0.481,512 1.015,513 0.725,514 1.137,515 0.869,516 1.131,517 0.721,518 1.057,519 1.459,520 1.037,521 1.192,522 1.026,523 1.461,524 1.04,525 1.411,526 0.833,527 1.204,528 0.84,529 1.467,530 0.942,531 0.534,532 1.093,533 0.955,534 1.115,535 0.593,536 1.133,537 0.299,538 0.992,539 0.807,540 1.018,541 0.32,542 1.033,543 0.983,544 1.092,545 0.863,546 1.069,547 0.922,548 0.966,549 3,550 0.025,551 2.222,552 1.188,553 0.653,554 0.375,555 0.242,556 0.174,557 0.086,558 0.044,559 2286,560 8006,561 1.994,562 37,564 9,567 1,572 1.566,573 1.855,574 2.984,575 -0.314,579 1,582 37.105,583 1.374,584 2.391,585 2.874,586 3.634,587 4.162,588 4.162,589 2.498,590 3.499,591 4.058,592 3.088,593 419.944,594 6.848,595 3779.93,597 1,599 1,600 128.382,601 1.447,602 4.01,603 0.167,604 0.012,605 0.093,606 0.049,607 0.034,608 0.025,609 0.02,610 0.017,611 0.012,612 0.009,613 0.439,614 0.83,615 1,616 0.922,617 70.603,618 -0.065,619 0.108,620 -0.017,621 0.103,622 -0.106,623 0.066,624 0.187,625 -0.098,626 -0.062,627 -0.114,628 0.135,629 -0.142,630 0.004,631 -0.19,632 0.018,633 -0.177,634 0.039,635 -0.099,636 -0.233,637 -0.069,638 -0.177,639 -0.071,640 -0.197,641 -0.101,642 -0.264,643 0.144,644 -0.183,645 0.13,646 -0.289,647 0.024,648 0.035,649 -0.138,650 -0.008,651 -0.133,652 -0.013,653 -0.093,654 0.577,655 -0.019,656 0.257,657 -0.026,658 0.555,659 0.023,660 0.004,661 -0.119,662 0.233,663 -0.081,664 0.046,665 0.085,666 2.663,667 4.98,668 0.706,669 11.218,670 1.015,671 1.1,672 3.136,673 9.837,674 0.71,675 2.944,676 3.219,677 3.434,678 3.555,679 3.714,680 3.664,681 3.714,682 3.497,683 3.367,684 3.219,685 4.684,686 0.695,687 226.24,688 2.944,689 4.443,690 5.263,691 6.103,692 6.94,693 7.785,694 8.629,695 9.476,696 10.322,697 11.171,715 9,720 3,722 12,727 1,731 1,741 27,743 14,744 2,745 18,747 28,748 14,749 12,750 3,751 9,752 2,756 2,757 2,772 14,777 2,782 2,786 2,790 1,793 10,794 3,795 1,796 3,808 1,809 3,829 2,857 1,859 2,868 17,875 1,893 11.1,895 1,896 2,901 9.167,902 4.783,903 3.833,904 1.488,907 2.277,908 1.387,909 0.94,910 3.127,911 8.158,912 3.296,913 3.85,914 4.407,915 4.879,916 5.38,917 5.476,918 5.829,919 5.768,920 6.019,921 6.241,922 1,923 24,924 6.256,926 2.658,927 0.026,929 8.225,931 11.401,933 8.988,936 2.725,937 46.333,938 0.001,941 105.94,942 100.886,945 92.973,948 100.886,949 198.913,953 85.286,954 99.017,955 9.557,957 105.94,959 105.94,960 100.886,961 92.973,964 105.94,965 92.973,969 100.886,972 105.94,973 92.973,974 100.886,977 105.94,978 15.6,979 85.286,981 92.973,982 105.94,983 92.973,984 100.886,986 0.576,987 0.334,988 0.161,989 0.083,990 11,991 5,992 0.107,993 3,995 1,996 2.939,997 111.618,999 12,1000 61.487,1005 11.245,1006 4.727,1007 2.467,1009 92.973,1010 14.789,1015 1.256,1017 42.683,1018 299.799,1019 26,1024 22.647,1028 -1.105,1031 27.4,1032 29.704,1034 0.289,1035 0.503,1036 0.604,1037 0.764,1038 0.875,1039 0.875,1040 4.477,1041 0.697,1042 5.231,1043 2.136,1044 3.892,1045 4.533,1046 1.635,1047 5.989,1048 3.906,1049 5.678,1050 -0.516,1051 6.77,1052 1.703,1053 3.434,1054 4.182,1056 6.843,1057 3.464,1058 6.966,1059 -0.757,1060 8.414,1061 -1.186,1062 5.434,1063 6.671,1064 2.253,1065 9.888,1066 5.467,1067 8.291,1068 -1,1069 10.121,1070 -1.616,1071 5.802,1072 7.124,1074 11.555,1075 5.862,1076 9.646,1077 -1,1078 11.865,1079 -2,1080 7.273,1081 9.073,1082 2.922,1083 14.106,1084 7.333,1085 11.024,1086 -1,1087 13.635,1088 -2.347,1089 8.01,1090 9.908,1092 16.091,1093 8.099,1094 12.418,1095 -1.456,1096 15.422,1097 -3,1098 9.257,1099 11.599,1100 3.619,1101 18.466,1102 9.35,1103 2.984,1104 -1.708,1105 17.22,1106 -4.128,1107 10.168,1108 12.641,1110 20.592,1111 10.289,1112 2.701,1113 9.674,1114 19.027,1115 -4.789,1116 11.317,1117 14.193,1118 4.33,1119 22.899,1120 11.446,1121 2.189,1122 8.143,1123 20.841,1124 3.94,1125 12.312,1126 15.358,1128 25.092,1129 12.466,1130 1.565,1131 6.3,1132 22.659,1133 3.59,1134 13.418,1135 16.829,1136 5.047,1137 27.371,1138 13.585,1139 1.225,1140 3.458,1141 24.481,1142 3.056,1143 14.455,1144 18.068,1146 29.598,1147 14.645,1148 1,1149 2.858,1150 26.307,1151 2.259,1152 15.544,1153 19.493,1154 5.769,1155 31.867,1156 15.75,1157 1,1158 2.275,1159 28.135,1160 1.759,1161 16.602,1162 20.778,1164 34.112,1165 16.83,1166 2348,1167 4466,1168 11.731,1169 19.171,1170 27.272,1171 28.491,1172 27.677,1173 26.757,1174 26.72,1175 37.39,1176 2.873,1177 73.092,1178 26.919,1179 5.094,1180 5.596,1181 6.195,1182 5.003,1183 4.984,1184 6.94,1185 2.873,1186 16.424,1187 5.038,1188 8.321,1189 1.515,1190 1.583,1191 1.538,1192 1.487,1193 1.484,1194 2.077,1195 0.16,1196 4.061,1197 1.495,1198 3.995,1199 4.012,1200 3.949,1201 3.935,1202 7.475,1203 3.935,1204 3.832,1205 3.857,1206 3.767,1207 3.772,1208 7.427,1209 3.766,1210 3.359,1211 3.343,1212 3.326,1213 3.164,1214 6.351,1215 3.198,1216 3.044,1217 3.044,1218 2.981,1219 2.801,1220 4.741,1221 2.838,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 4.639,1227 2.715,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 2.58,1235 2.627,1236 2.451,1237 2.362,1238 3.674,1239 2.391,1240 2.286,1241 2.321,1242 2.158,1243 1.95,1244 3.618,1245 1.999,1246 0.241,1247 0.2,1248 0.355,1249 0.222,1250 0.166,1251 4.344,1252 0.219,1253 3.596,1254 0.08,1255 6.393,1256 0.537,1257 4.003,1258 0.169,1259 2.984,1260 3.94,1261 1.437,1262 9.674,1263 3.038,1264 1.965,1265 1.949,1266 2.059,1267 2.044,1268 1.144,1269 2.048,1270 1.835,1271 1.811,1272 1.955,1273 1.92,1274 1.023,1275 1.932,1276 1.229,1277 1.234,1278 1.313,1279 1.471,1280 0.345,1281 1.406,1282 0.911,1283 0.901,1284 1.181,1285 1.196,1286 0.218,1287 1.154,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.886,1295 0.821,1296 1.087,1297 1.062,1298 0.094,1299 1.107,1300 0.516,1301 0.482,1302 0.792,1303 0.788,1305 0.804,1306 0.15,1307 0.111,1308 0.495,1309 0.551,1311 0.531,1312 3.611,1314 4.89,1316 6.378,1318 7.948,1320 9.555,1327 8.746,1340 18.778,1341 37.105,1342 64.568,1343 77.588,1344 98.117,1345 112.382,1346 112.382,1347 31.961,1348 5.881,1349 54.37,1350 54.37,1351 12,1352 11.73,1353 3.907,1354 3.17,1355 28.52,1356 47,1357 41,1358 0.307,1359 118.846,1360 209.49,1361 281.744,1362 2112,1364 12.251,1365 0.721,1366 0.527,1367 12.251,1368 8.96,1369 8.182,1370 0.455,1371 0.284,1372 5.071,1373 7.976,1374 4.962,1375 4.137,1376 8.182,1377 5.114,1378 7.176,1379 0.299,1380 0.149,1381 7.176,1382 3.578,1383 5.896,1384 0.197,1385 0.081,1386 5.896,1387 2.43,1388 4.382,1389 0.129,1390 0.045,1391 4.382,1392 1.52,1393 3.267,1394 0.082,1395 0.024,1396 3.267,1397 0.979,1398 0.471,1399 50.821,1400 0.292,1401 17.213,1402 0.864,1403 84,1404 289.621,1405 90.532,1406 280.75,1407 366.51,1408 258,1409 96,1410 252.303,1411 101.648,1412 257.922,1413 371.9,1414 242,1415 4}
{0 CHEMBL192657,1 1.772,2 8.917,3 2.374,4 5.636,5 80.11,6 10.383,7 0.48,8 3.636,9 3.685,10 3.421,11 3.128,12 5.19,13 3.199,14 4.03,15 4.069,16 3.793,17 3.487,18 5.813,19 3.564,20 4.313,21 4.39,22 3.944,23 3.589,24 6.042,25 3.681,26 4.438,27 4.529,28 3.909,29 3.472,30 6.339,31 3.597,32 4.251,33 4.357,34 3.695,35 3.292,36 5.961,37 3.421,38 4.032,39 4.067,40 3.674,41 3.148,42 6.225,43 3.284,44 3.94,45 4.023,46 3.519,47 3.078,48 6.074,49 3.167,50 3.816,51 3.946,52 3.301,53 2.925,54 5.443,55 3.03,56 0.393,57 0.445,58 2.54,59 2.585,60 71.304,61 1.901,62 0.636,63 0.641,64 3.173,65 4.178,66 137.718,67 3.162,68 0.903,69 0.802,70 6.616,71 5.23,72 173.328,73 4.198,74 1.375,75 0.796,76 11.814,77 5.409,78 275.004,79 3.856,80 1.113,81 0.65,82 11.644,83 4.563,84 236.831,85 3.246,86 0.972,87 0.521,88 5.827,89 3.529,90 218.352,91 2.335,92 0.852,93 0.501,94 6.65,95 3.478,96 188.15,97 3.289,98 0.572,99 0.476,100 6.164,101 2.888,102 103.658,103 2.568,104 69,105 36,106 0.323,107 0.597,108 0.651,109 0.706,110 0.706,111 0.706,112 3.228,113 0.751,114 -2.67,115 -2.69,116 -2.62,121 43.8,144 6,145 2,146 4,159 2,168 4,176 6,179 2,180 4,185 2,187 4,191 1,192 14,195 2,197 4,200 3,206 16,209 4,211 2,214 4,218 2,219 6,227 6,231 6,232 2,235 2,239 4,243 4,244 8,247 2,249 2,251 1,256 10,261 4,268 1,269 4,274 2,281 772,282 15.19,283 15.19,284 15.19,285 15.19,286 15.19,287 12.908,288 12.43,289 8.568,290 15.316,291 12.205,292 12.205,293 12.205,294 12.205,295 12.205,296 8.703,297 9.924,298 3.958,299 12.386,300 3.228,301 1.719,302 1.422,303 1.125,304 1.125,305 1.125,306 3.879,310 1,311 1,312 1,313 432,314 3.873,318 174.205,325 1.431,326 63.686,328 1,329 1,330 0.83,331 1,332 0.4,334 0.83,335 1,336 0.72,337 57,338 214,339 4.502,340 3.86,341 6.58,342 4.133,343 3.12,344 4.202,345 2.612,346 10.268,347 3.171,348 4.407,349 3.807,350 6.379,351 3.943,352 2.973,353 4.139,354 2.612,355 9.611,356 2.88,357 4.194,358 3.781,359 6.282,360 3.775,361 2.788,362 3.681,364 9.165,365 2.729,366 3.747,367 2.998,368 5.625,369 3.285,370 2.284,371 3.219,373 7.233,374 2.279,375 3.491,376 2.707,377 4.712,378 2.863,379 1.895,380 2.87,382 4.792,383 1.831,384 3.372,385 2.664,386 4.698,387 2.813,388 1.853,389 2.665,391 4.749,392 1.771,393 2.906,394 1.905,395 4.49,396 2.43,397 1.414,398 2.012,400 4.038,401 1.424,402 2.607,403 1.881,404 3.618,405 2,406 1,407 1.596,409 2.427,410 1,411 2.607,412 1.353,413 3.605,414 2,415 1,416 1.595,418 2.419,419 1,420 2.293,421 1.353,422 3.347,423 1.661,424 0.572,425 0.89,427 1.348,428 0.612,429 1.244,430 1,431 2.526,432 0.834,433 -0.11,434 -0.14,436 -0.251,437 -0.103,438 1.24,439 1,440 2.317,441 0.795,442 -0.186,443 -0.257,445 -0.412,446 -0.18,447 1,448 0.426,449 2.315,450 0.176,451 -0.818,452 -1.171,454 -2,455 -0.809,456 1,457 0.396,458 2.13,459 0.176,460 -0.819,461 -1.182,463 -2,464 -0.811,465 0.657,466 -0.24,467 1.86,469 -1,470 -1.538,472 -2.495,473 -1,474 10.467,475 0.436,476 0.868,477 0.036,478 37,479 1.542,480 22,481 0.917,482 15,483 0.625,484 12.802,485 0.533,486 26.133,487 0.817,488 31.769,489 1.324,490 7.649,491 0.319,492 3.569,493 0.149,494 0.255,496 0.459,501 0.574,502 0.768,503 0.582,504 0.715,505 0.705,506 0.698,507 0.598,508 1.182,509 0.579,510 1.15,511 0.568,512 0.987,513 0.804,514 1.23,515 0.811,516 1.263,517 0.746,518 1.142,519 1.174,520 1.031,521 1.186,522 1.038,523 1.114,524 1.074,525 1.397,526 0.834,527 1.198,528 0.843,529 1.504,530 0.85,531 0.859,532 0.919,533 0.974,534 0.967,535 0.979,536 1.036,537 0.516,538 1.102,539 0.78,540 1.063,541 0.498,542 1.111,543 0.994,544 1.331,545 0.967,546 1.243,547 0.8,548 1.124,549 6,550 0.223,551 4,552 2.375,553 1.627,554 1.167,555 0.568,556 0.392,557 0.23,558 0.191,559 5373,560 28229,561 1.88,562 25,564 6,567 2,572 1.671,573 1.674,574 3.185,575 0.461,577 1,579 1,582 56.697,583 1.772,584 3.281,585 3.578,586 3.875,587 3.875,588 3.875,589 2.522,590 3.418,591 4.559,592 3.344,593 922.905,594 7.878,595 10793.4,596 1,597 1,599 1,600 160,601 1.555,602 4.453,603 0.24,604 0.019,605 0.111,606 0.059,607 0.045,608 0.039,609 0.02,610 0.016,611 0.011,612 0.012,613 0.573,614 0.33,615 0.88,616 1.018,617 113.276,618 0.101,619 0.382,620 -0.026,621 0.294,622 -0.087,623 0.124,624 0.105,625 -0.118,626 0.019,627 -0.1,628 0.127,629 -0.107,630 -0.016,631 -0.205,632 -0.001,633 -0.26,634 0.006,635 -0.183,636 -0.164,637 -0.099,638 -0.139,639 -0.074,640 -0.105,641 -0.069,642 -0.375,643 0.083,644 -0.091,645 0.131,646 -0.41,647 0.202,648 0.216,649 0.032,650 -0.108,651 -0.003,652 0.157,653 -0.19,654 0.424,655 -0.157,656 0.23,657 -0.065,658 0.447,659 -0.076,660 -0.181,661 -0.319,662 0.08,663 -0.289,664 -0.025,665 -0.045,666 2.929,667 5.111,668 0.5,669 18.528,670 1.077,671 1.122,672 1.444,673 2.084,674 0.685,675 3.258,676 3.611,677 3.85,678 4.007,679 4.174,680 4.205,681 4.205,682 4.111,683 3.989,684 4.043,685 5.68,686 0.729,687 332.24,688 3.258,689 4.812,690 5.659,691 6.538,692 7.404,693 8.284,694 9.155,695 10.034,696 10.907,697 11.787,698 6.3,709 2,715 6,720 6,722 12,727 2,735 2,738 2,741 32,743 18,744 2,745 25,747 33,748 14,749 12,750 6,751 6,752 2,756 2,757 2,772 14,777 6,779 2,782 6,786 2,789 1,790 1,793 8,794 8,795 2,796 10,802 2,808 1,809 8,829 2,859 2,868 24,875 2,893 25,895 2,896 2,899 4,901 14.333,902 5.8,903 5.278,904 1.618,907 2.53,908 1.385,909 0.878,910 4.691,911 9.095,912 3.638,913 4.277,914 4.808,915 5.297,916 5.794,917 6.039,918 6.271,919 6.293,920 6.324,921 6.647,922 0.833,923 40,924 8.971,926 4.168,927 0.026,929 8.972,931 14.938,933 11.764,936 3.472,937 83.333,941 70.627,942 79.009,943 11.34,945 237.15,948 79.009,949 307.777,950 11.34,951 11.34,953 56.857,954 145.923,955 11.885,957 70.627,958 101.494,959 70.627,960 90.349,961 237.15,964 70.627,965 135.657,966 101.494,969 79.009,970 11.34,972 70.627,973 248.49,974 79.009,977 70.627,978 22.152,979 68.198,981 237.15,982 70.627,983 248.49,984 79.009,986 0.6,987 0.356,988 0.172,989 0.087,990 16,991 10,992 0.152,993 5,995 1,996 3.353,997 188.673,999 12,1000 82.039,1005 17.215,1006 6.54,1007 3.457,1009 237.15,1010 5.249,1015 -3.593,1017 85.367,1018 398.126,1019 37,1021 -1.857,1024 67.183,1028 -2.309,1031 34.473,1032 35.917,1034 0.354,1035 0.656,1036 0.716,1037 0.775,1038 0.775,1039 0.775,1040 4.875,1041 1,1042 5.694,1043 4.038,1044 4.29,1045 4.963,1046 3.153,1047 6.535,1048 4.268,1049 6.137,1050 1,1051 7.298,1052 2.427,1053 4.111,1054 5.037,1055 3.006,1056 7.535,1057 4.071,1058 7.48,1059 0.572,1060 8.999,1061 2.419,1062 5.932,1063 7.227,1064 4.84,1065 10.6,1066 5.893,1067 8.857,1068 -0.11,1069 10.752,1070 1.348,1071 6.494,1072 8.035,1073 5.194,1074 12.341,1075 6.448,1076 10.259,1077 -0.186,1078 12.536,1079 -0.251,1080 7.865,1081 9.763,1082 6.64,1083 14.945,1084 7.82,1085 11.678,1086 -0.818,1087 14.34,1088 -0.412,1089 8.735,1090 10.885,1091 7.248,1092 16.986,1093 8.69,1094 13.112,1095 -0.819,1096 16.158,1097 -2,1098 9.943,1099 12.44,1100 8.487,1101 19.413,1102 9.901,1103 3.12,1104 -1,1105 17.986,1106 -2,1107 10.947,1108 13.709,1109 9.241,1110 21.589,1111 10.909,1112 2.973,1113 10.268,1114 19.822,1115 -2.495,1116 12.092,1117 15.192,1118 10.363,1119 23.943,1120 12.06,1121 2.788,1122 9.611,1123 21.664,1124 4.202,1125 13.155,1126 16.533,1127 11.202,1128 26.182,1129 13.131,1130 2.284,1131 9.165,1132 23.51,1133 4.139,1134 14.278,1135 17.983,1136 12.256,1137 28.505,1138 14.262,1139 1.895,1140 7.233,1141 25.359,1142 3.681,1143 15.367,1144 19.362,1145 13.145,1146 30.776,1147 15.363,1148 1.853,1149 4.792,1150 27.212,1151 3.219,1152 16.483,1153 20.798,1154 14.161,1155 33.087,1156 16.49,1157 1.414,1158 4.749,1159 29.066,1160 2.87,1161 17.586,1162 22.198,1163 15.079,1164 35.374,1165 17.606,1166 5583,1167 12902,1168 15.145,1169 21.932,1170 38.654,1171 41.913,1172 41.073,1173 37.965,1174 37.799,1175 53.737,1176 10.45,1177 112.098,1178 37.392,1179 5.333,1180 5.86,1181 5.877,1182 5.133,1183 5.12,1184 7.202,1185 4.612,1186 17.474,1187 5.171,1188 17.229,1189 1.546,1190 1.677,1191 1.643,1192 1.519,1193 1.512,1194 2.149,1195 0.418,1196 4.484,1197 1.496,1198 4.045,1199 4.057,1200 4.02,1201 3.928,1202 7.818,1203 3.943,1204 3.958,1205 3.976,1206 3.934,1207 3.823,1208 7.812,1209 3.838,1210 3.609,1211 3.61,1212 3.608,1213 3.283,1214 7.496,1215 3.351,1216 3.471,1217 3.489,1218 3.444,1219 3.036,1220 7.352,1221 3.136,1222 3.295,1223 3.294,1224 3.256,1225 2.961,1226 6.999,1227 3.034,1228 2.948,1229 2.958,1230 2.879,1231 2.757,1232 6.999,1233 2.774,1234 2.693,1235 2.726,1236 2.585,1237 2.433,1238 6.471,1239 2.473,1240 2.657,1241 2.706,1242 2.515,1243 2.343,1244 6.466,1245 2.411,1246 0.18,1247 0.154,1248 0.263,1249 0.165,1250 0.125,1251 4.502,1252 0.168,1253 3.86,1254 0.104,1255 6.58,1256 0.411,1257 4.133,1258 0.127,1259 3.12,1260 4.202,1261 2.612,1262 10.268,1263 3.171,1264 1.955,1265 1.943,1266 2.02,1267 2.107,1268 1.116,1269 2.066,1270 1.882,1271 1.864,1272 1.957,1273 2.064,1274 1.053,1275 2.012,1276 1.362,1277 1.366,1278 1.375,1279 1.749,1280 0.308,1281 1.63,1282 1.188,1283 1.162,1284 1.274,1285 1.637,1286 0.213,1287 1.534,1288 1.104,1289 1.079,1290 1.248,1291 1.429,1292 0.213,1293 1.365,1294 0.861,1295 0.838,1296 1.055,1297 1.117,1298 0.044,1299 1.085,1300 0.594,1301 0.556,1302 0.808,1303 0.932,1305 0.889,1306 0.53,1307 0.497,1308 0.768,1309 0.89,1311 0.887,1312 3.932,1314 5.273,1316 6.806,1318 8.422,1320 10.081,1327 18.66,1340 23.342,1341 56.697,1342 104.98,1343 114.49,1344 124,1345 124,1346 124,1347 103.342,1348 6.565,1349 166.24,1350 166.24,1351 12,1352 12.324,1353 4.248,1354 3.7,1355 48.34,1356 82,1357 64,1358 0.296,1359 146.561,1360 270.16,1361 349.369,1362 5061,1364 18.016,1365 0.751,1366 0.488,1367 18.016,1368 11.702,1369 11.218,1370 0.449,1371 0.25,1372 6.113,1373 10.464,1374 6.061,1375 4.995,1376 11.218,1377 6.259,1378 10.635,1379 0.295,1380 0.127,1381 10.635,1382 4.579,1383 8.626,1384 0.188,1385 0.067,1386 8.626,1387 3.075,1388 6.454,1389 0.12,1390 0.035,1391 6.454,1392 1.884,1393 4.721,1394 0.074,1395 0.019,1396 4.721,1397 1.201,1398 0.457,1399 73.416,1400 0.257,1401 23.127,1402 0.835,1403 122,1404 592.003,1405 142.768,1406 553.138,1407 696.48,1408 498,1409 143,1410 486.063,1411 163.83,1412 475.752,1413 683.14,1414 442,1415 4}
{0 CHEMBL192682,1 1.501,2 13.103,3 5.001,4 25.01,5 126.269,6 7.162,7 0.344,8 4.16,9 4.287,10 3.838,11 3.801,12 5.054,13 3.691,14 4.758,15 4.946,16 4.088,17 4.212,18 5.595,19 4.066,20 5.065,21 5.321,22 4.03,23 4.3,24 5.842,25 4.125,26 4.996,27 5.246,28 3.963,29 4.223,30 5.814,31 4.066,32 4.986,33 5.232,34 3.902,35 4.22,36 5.795,37 4.047,38 5.013,39 5.276,40 3.798,41 4.195,42 5.753,43 3.992,44 4.994,45 5.29,46 3.774,47 4.063,48 5.74,49 3.858,50 4.813,51 5.109,52 3.709,53 3.86,54 5.66,55 3.695,56 0.068,57 0.887,58 17.819,59 6.893,60 6.571,61 8.567,62 0.199,63 1.505,64 30.294,65 11.879,66 18.258,67 15.496,68 0.341,69 1.896,70 45.314,71 15.645,72 32.964,73 20.188,74 0.344,75 1.765,76 38.519,77 13.357,78 34.666,79 18.026,80 0.353,81 1.726,82 38.017,83 13.563,84 36.478,85 18.262,86 0.278,87 1.731,88 39.318,89 14.351,90 30.713,91 19.248,92 0.336,93 1.645,94 39.782,95 13.515,96 32.581,97 18.427,98 0.322,99 1.349,100 33.574,101 10.631,102 33.813,103 14.428,104 2,105 42,106 0.245,107 0.529,108 0.728,109 0.858,110 0.9,111 0.9,112 3.407,113 1.255,114 -4.48,115 -4.41,116 -4.16,121 38.3,123 9,127 3,129 1,144 4,145 2,146 1,148 2,160 1,176 11,180 5,183 1,185 3,187 12,192 5,196 1,197 3,200 8,206 3,209 1,211 5,214 7,219 1,222 1,224 6,227 9,237 3,239 6,244 3,247 1,249 6,251 4,256 2,261 3,264 4,268 1,269 5,277 8,281 1471,282 20.242,283 20.242,284 20.242,285 20.242,286 20.242,287 18.8,288 18.367,289 12.534,290 20.652,291 15.869,292 15.869,293 15.869,294 15.869,295 15.869,296 13.543,297 17.105,298 6.002,299 16.47,300 4.406,301 2.673,302 1.455,303 0.658,304 0.4,305 0.4,306 4.111,311 1,312 1,313 839,314 3.742,317 91.299,318 205.698,322 236.433,325 2.024,326 18.931,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 60.5,338 380,339 4.64,340 4.08,341 6.829,342 4.207,343 3.226,344 4.564,345 1.907,346 11.348,347 3.162,348 3.914,349 3.574,350 5.982,351 3.524,352 2.545,353 3.437,354 0.4,355 8.37,356 2.512,357 3.662,358 3.361,359 5.382,360 3.468,361 2.532,362 2.894,363 0.149,364 6.998,365 2.397,366 3.538,367 3.354,368 5.353,369 3.377,370 2.377,371 2.827,373 6.712,374 2.295,375 3.52,376 2.669,377 5.034,378 3.127,379 2.172,380 2.54,382 6.089,383 2.071,384 2.939,385 2.356,386 4.116,387 2.573,388 1.609,389 2.142,391 3.487,392 1.546,393 2.662,394 1.828,395 3.95,396 2.513,397 1.529,398 1.693,400 3.329,401 1.502,402 2.58,403 1.663,404 3.703,405 2.395,406 1.426,407 1.584,409 3.243,410 1.372,411 2.5,412 1.561,413 3.614,414 2.345,415 1.347,416 1.497,418 3.01,419 1.343,420 2.466,421 1.442,422 3.594,423 2.242,424 1.247,425 1.457,427 2.902,428 1.24,429 2.138,430 1.35,431 3.418,432 2.023,433 1.112,434 1.128,436 2.418,437 0.991,438 1.982,439 1.171,440 3.221,441 1.805,442 0.836,443 0.924,445 1.964,446 0.805,447 1.618,448 1.086,449 3,450 1.58,451 0.618,452 0.618,454 1.372,455 0.585,456 1.559,457 0.749,458 2.902,459 1.352,460 0.408,461 0.442,463 0.924,464 0.382,465 1.369,466 0.602,467 2.752,468 1.169,469 0.197,470 0.221,472 0.438,473 0.189,474 14.7,475 0.507,476 0.448,477 0.015,478 29.75,479 1.026,480 12,481 0.414,482 17.75,483 0.612,484 32.724,485 1.128,486 32.1,487 0.535,488 16.517,489 0.57,490 4.079,491 0.141,492 10.231,493 0.353,494 0.023,496 0.238,501 0.756,502 1.15,503 0.692,504 0.877,505 0.546,506 0.983,507 0.724,508 1.197,509 0.986,510 1.079,511 0.546,512 1.099,513 1.085,514 1.026,515 1.07,516 1.02,517 0.987,518 0.959,519 1.329,520 1.006,521 0.926,522 0.902,523 1.272,524 0.985,525 1.23,526 1.025,527 0.966,528 0.955,529 1.228,530 1.062,531 1.059,532 1.078,533 0.944,534 1.004,535 1.055,536 1.105,537 0.889,538 0.969,539 0.731,540 0.872,541 0.934,542 0.926,543 1.393,544 0.832,545 0.657,546 0.72,547 1.582,548 0.746,549 3.5,550 0.073,551 2.444,552 1.535,553 1.325,554 0.406,555 0.356,556 0.246,557 0.256,558 0.135,559 13057,560 29011,561 2.154,562 51.7,563 10,564 11,567 2,568 4,569 2,570 2,572 1.713,573 2.096,574 3.593,575 0.194,582 90.037,583 1.501,584 3.234,585 4.452,586 5.248,587 5.507,588 5.507,589 2.969,590 4.142,591 4.828,592 3.87,593 1571.34,594 8.375,595 23039.2,597 1,600 354.413,601 1,602 4.824,603 0.109,604 0.004,605 0.058,606 0.037,607 0.035,608 0.012,609 0.012,610 0.009,611 0.01,612 0.006,613 0.292,614 0.17,615 1,616 0.335,617 151.537,618 0.004,619 0.017,620 0.202,621 0.137,622 0.033,623 0.063,624 0.078,625 -0.109,626 -0.037,627 -0.071,628 0.08,629 -0.08,630 -0.038,631 -0.018,632 -0.076,633 -0.043,634 -0.022,635 0.015,636 -0.112,637 0.003,638 -0.084,639 -0.034,640 -0.093,641 -0.044,642 -0.088,643 -0.03,644 -0.128,645 -0.076,646 -0.079,647 -0.11,648 -0.097,649 -0.125,650 -0.115,651 -0.122,652 -0.093,653 -0.145,654 0.124,655 -0.058,656 0.088,657 -0.024,658 0.057,659 0.012,660 0.064,661 0.083,662 0.179,663 0.108,664 0.064,665 0.166,666 1.484,667 5.137,668 0.655,669 31.213,670 0.986,671 1.123,672 3.255,673 10.593,674 0.674,675 3.497,676 3.761,677 4.025,678 4.29,679 4.489,680 4.543,681 4.673,682 4.771,683 4.828,684 4.682,685 7.983,686 0.609,687 429.71,688 3.497,689 5.004,690 5.838,691 6.693,692 7.549,693 8.417,694 9.286,695 10.162,696 11.039,697 11.922,698 5,703 1,705 1,708 1,714 2,715 4,716 1,720 3,722 11,734 1,741 60,743 12,744 1,745 32,747 63,748 23,749 9,750 2,751 4,756 4,757 7,767 6,770 10,772 10,773 13,777 1,782 1,786 1,793 31,794 4,795 2,796 6,797 2,802 3,808 0.5,809 1,822 1,828 1,829 3,833 2,843 1,859 2,861 1,862 2,868 29,876 12,877 2,879 2,880 1,893 1.7,896 1,901 13.833,902 10.367,903 6.528,904 4.142,907 2.432,908 1.319,909 0.985,910 7.896,911 10.049,912 3.676,913 4.182,914 4.732,915 5.314,916 5.887,917 6.207,918 6.586,919 6.931,920 7.232,921 7.054,922 1,923 41,924 10.834,926 4.559,927 0.026,929 7.431,931 21.837,933 18.628,936 1.931,937 56,940 1,941 341.362,942 144.311,943 52.807,945 25.145,947 60.363,948 83.948,949 366.507,950 52.807,952 45.933,953 37.905,954 64.646,955 13.416,957 401.725,959 341.362,960 136.755,961 25.145,962 60.363,964 294.278,965 72.229,968 50.834,969 51.125,970 34.796,971 60.363,972 341.362,973 77.952,974 144.311,977 341.362,978 106.406,979 37.905,980 36.022,981 41.93,982 341.362,983 77.952,984 144.311,986 0.56,987 0.324,988 0.183,989 0.095,990 19,991 7,992 0.143,993 9,994 2,995 1.211,996 4.327,997 240.845,998 0.211,999 19,1000 138.881,1001 2,1005 21.178,1006 10.812,1007 5.757,1008 2.265,1009 77.952,1010 8.382,1011 4.891,1015 3.857,1017 36.022,1018 563.625,1019 38.5,1024 12.137,1028 0.182,1031 59.156,1032 67.357,1034 0.254,1035 0.548,1036 0.754,1037 0.889,1038 0.932,1039 0.932,1040 4.896,1041 1.426,1042 5.771,1043 3.329,1044 4.443,1045 4.868,1046 1.997,1047 6.532,1048 4.377,1049 6.033,1050 1.347,1051 7.286,1052 3.243,1053 3.761,1054 4.605,1055 1.593,1056 7.357,1057 3.686,1058 7.308,1059 1.247,1060 8.91,1061 3.01,1062 5.964,1063 7.011,1064 2.907,1065 10.51,1066 5.845,1067 8.627,1068 1.112,1069 10.607,1070 2.902,1071 6.217,1072 7.712,1073 3.032,1074 12.286,1075 6.084,1076 9.99,1077 0.836,1078 12.355,1079 2.418,1080 7.789,1081 9.571,1082 4.038,1083 14.941,1084 7.629,1085 11.385,1086 0.618,1087 14.139,1088 1.964,1089 8.506,1090 10.717,1091 4.409,1092 17.099,1093 8.331,1094 12.805,1095 0.408,1096 15.949,1097 1.372,1098 9.816,1099 12.37,1100 5.25,1101 19.602,1102 9.622,1103 3.226,1104 0.197,1105 17.779,1106 0.924,1107 10.766,1108 13.721,1109 5.75,1110 21.917,1111 10.556,1112 2.545,1113 11.348,1114 19.625,1115 0.438,1116 11.973,1117 15.291,1118 6.501,1119 24.37,1120 11.746,1121 2.532,1122 8.37,1123 21.484,1124 4.564,1125 13.036,1126 16.734,1127 7.068,1128 26.75,1129 12.793,1130 2.377,1131 6.998,1132 23.352,1133 3.437,1134 14.208,1135 18.272,1136 7.771,1137 29.187,1138 13.948,1139 2.172,1140 6.712,1141 25.229,1142 2.894,1143 15.326,1144 19.756,1145 8.374,1146 31.594,1147 15.048,1148 1.609,1149 6.089,1150 27.113,1151 2.827,1152 16.489,1153 21.281,1154 9.051,1155 34.026,1156 16.193,1157 1.529,1158 3.487,1159 29.003,1160 2.54,1161 17.632,1162 22.784,1163 9.674,1164 36.445,1165 17.318,1166 12168,1167 18258,1168 22.246,1169 40.427,1170 46.079,1171 50.495,1172 46.948,1173 46.338,1174 46.362,1175 55.936,1176 4.912,1177 125.209,1178 44.783,1179 5.629,1180 6.08,1181 6.553,1182 5.255,1183 5.226,1184 7.564,1185 3.306,1186 18.879,1187 5.162,1188 7.001,1189 1.44,1190 1.578,1191 1.467,1192 1.448,1193 1.449,1194 1.748,1195 0.154,1196 3.913,1197 1.399,1198 4.113,1199 4.144,1200 4.233,1201 4.04,1202 7.429,1203 4.044,1204 3.823,1205 3.871,1206 4.071,1207 3.794,1208 4.972,1209 3.709,1210 3.732,1211 3.781,1212 3.646,1213 3.65,1214 4.414,1215 3.636,1216 3.682,1217 3.736,1218 3.615,1219 3.547,1220 4.284,1221 3.522,1222 3.517,1223 3.588,1224 3.405,1225 3.358,1226 4.213,1227 3.342,1228 3.308,1229 3.371,1230 3.232,1231 3.155,1232 4.018,1233 3.145,1234 3.191,1235 3.255,1236 3.074,1237 3.042,1238 3.964,1239 3.025,1240 3.115,1241 3.194,1242 2.975,1243 2.958,1244 3.874,1245 2.947,1246 0.145,1247 0.127,1248 0.213,1249 0.131,1250 0.101,1251 4.64,1252 0.143,1253 4.08,1254 0.06,1255 6.829,1256 0.355,1257 4.207,1258 0.099,1259 3.226,1260 4.564,1261 1.907,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.158,1267 2.163,1268 1.434,1269 2.163,1270 1.774,1271 1.721,1272 1.998,1273 1.942,1274 1.38,1275 1.963,1276 1.754,1277 1.709,1278 1.949,1279 1.873,1280 1.163,1281 1.902,1282 1.604,1283 1.541,1284 1.831,1285 1.818,1286 1.137,1287 1.833,1288 1.485,1289 1.414,1290 1.749,1291 1.673,1292 1.042,1293 1.708,1294 1.291,1295 1.242,1296 1.524,1297 1.493,1298 0.839,1299 1.516,1300 1.212,1301 1.162,1302 1.46,1303 1.373,1304 0.754,1305 1.406,1306 1.13,1307 1.055,1308 1.419,1309 1.343,1310 0.613,1311 1.381,1312 4.174,1314 5.451,1315 2.398,1316 6.927,1317 4.443,1318 8.509,1319 6.26,1320 10.16,1328 12.75,1329 6.699,1331 4.023,1332 0.813,1340 36.528,1341 90.037,1342 194.052,1343 267.129,1344 314.904,1345 330.413,1346 330.413,1347 47.633,1348 7.617,1349 54.02,1350 104.62,1351 23,1352 12.458,1353 3.7,1354 2.907,1355 45.132,1356 139,1357 139,1358 0.153,1359 230.897,1360 398.19,1361 555.15,1362 25039,1364 19.891,1365 0.686,1366 0.644,1367 20.598,1368 18.677,1369 14.31,1370 0.447,1371 0.418,1372 11.09,1373 13.124,1374 10.722,1375 8.82,1376 15.389,1377 13.386,1378 12.141,1379 0.289,1380 0.257,1381 13.409,1382 10.775,1383 10.16,1384 0.185,1385 0.161,1386 11.544,1387 8.832,1388 8.562,1389 0.119,1390 0.101,1391 9.969,1392 7.302,1393 6.719,1394 0.076,1395 0.049,1396 7.331,1397 4.339,1398 0.25,1399 97.293,1400 0.212,1401 28.411,1402 0.391,1403 148,1404 339.767,1405 196.934,1406 373.846,1407 515.39,1408 354,1409 171,1410 345.408,1411 218.622,1412 378.563,1413 550.37,1414 361,1415 7.013}
{0 CHEMBL192712,1 1.68,2 4.2,3 -0.051,4 0.003,5 32.794,6 7.535,8 3.057,9 3.163,10 2.598,11 2.429,12 4.24,13 2.458,14 3.621,15 3.789,16 2.983,17 2.74,18 4.911,19 2.764,20 3.865,21 4.058,22 2.992,23 2.827,24 5.327,25 2.817,26 3.769,27 4.015,28 2.374,29 2.632,30 4.899,31 2.519,32 3.4,33 3.685,34 1.639,35 1.99,36 4.673,37 1.848,38 2.14,39 2.279,40 0.514,41 0.712,42 3.761,43 0.756,56 0.086,57 0.245,58 3.92,59 1.599,60 8.973,61 2.121,62 0.312,63 0.35,64 8.224,65 2.366,66 31.992,67 3.502,68 0.571,69 0.382,70 11.516,71 2.744,72 71.049,73 4.144,74 0.389,75 0.304,76 10.875,77 2.596,78 45.527,79 4.073,80 0.35,81 0.147,82 8.345,83 1.483,84 57.917,85 2.531,86 0.16,87 0.023,88 2.297,89 0.193,90 31.247,91 0.24,104 17,105 14,106 0.382,107 0.632,108 0.781,109 0.853,110 0.853,111 0.853,112 2.445,113 0.937,114 -0.87,115 -0.97,116 -1.08,121 31.6,122 2,129 2,160 2,179 1,180 1,183 1,185 1,191 2,192 1,195 2,197 1,200 1,206 2,219 2,281 32,282 6.138,283 6.138,284 6.138,285 6.138,286 6.138,287 5.891,288 10.427,289 3.478,290 6.286,291 4.869,292 4.869,293 4.869,294 4.869,295 4.869,296 4.371,297 13.034,298 1.626,299 5.065,300 2.568,301 1.474,302 0.816,303 0.501,304 0.501,305 0.501,306 3.007,312 1,313 80,314 1.414,318 29.867,325 0.64,326 16.48,329 1,330 0.67,331 0.83,332 1,333 1,334 1,335 1,336 0.93,337 23.5,338 42,339 4.135,340 3.917,341 6.125,342 3.9,343 2.935,344 3.394,345 1.674,346 8.827,347 2.821,348 3.472,349 2.961,350 5.562,351 3.308,352 2.303,353 2.506,354 1.058,355 6.827,356 2.292,357 2.879,358 2.817,359 4.414,360 2.546,361 1.618,362 1.848,364 4.372,365 1.479,366 2,367 1.655,368 3,369 1.656,370 0.618,371 0.765,373 1.372,374 0.627,375 0.819,376 0.609,377 2.637,378 0.505,379 -0.463,380 -0.506,382 -1.167,383 -0.435,384 0.653,385 0.084,386 1.586,387 0.4,388 -0.618,389 -0.765,391 -1.372,392 -0.629,394 -0.645,395 1.438,396 -0.249,397 -1.303,398 -1.394,400 -3.167,401 -1.318,402 -0.425,403 -1.034,404 1.238,405 -0.456,406 -1.473,407 -1.848,409 -4.372,410 -1.475,411 -0.532,412 -1.369,413 1,414 -0.703,415 -1.618,416 -2,417 -1.058,418 -4.66,419 -1.543,420 -1,421 -1.673,422 1,423 -1.106,424 -2,425 -2,426 -1.674,427 -6.66,428 -1.819,474 4.4,475 0.44,476 0.391,477 0.039,478 9.5,479 0.95,480 3,481 0.3,482 6.5,483 0.65,484 6.789,485 0.679,486 12.4,487 0.653,488 5.785,489 0.578,490 1.919,491 0.192,492 2.69,493 0.269,494 0.379,496 0.455,501 0.735,502 1.691,503 0.753,504 1.495,505 0.578,506 1.166,507 0.65,508 1.362,509 0.676,510 1.2,511 0.487,512 0.977,513 0.809,514 0.877,515 0.945,516 0.911,517 0.588,518 0.958,519 1.021,520 0.948,521 1.143,522 1.079,523 0.929,524 1.141,525 1.28,526 0.571,527 1.08,528 0.649,529 1.75,530 0.794,531 3.743,533 2.66,534 0.034,535 5.179,536 0.897,549 3,551 1.778,552 0.75,553 0.604,559 376,560 1466,561 1.783,562 47.4,564 2,567 1,569 6,572 1.397,573 1.579,574 2.216,575 0.031,582 31.917,583 1.68,584 2.774,585 3.432,586 3.747,587 3.747,588 3.747,589 1.522,590 0.971,591 3.3,592 2.111,593 94.996,594 5.344,595 593.147,600 80.711,601 1.522,602 3.171,603 0.3,605 0.127,606 0.058,607 0.101,613 0.585,614 0.83,615 1,616 0.861,617 30.85,618 -0.085,619 -0.285,620 0.018,621 -0.196,622 -0.061,623 -0.066,624 0.18,625 -0.237,626 0.214,627 -0.132,628 0.143,629 0.025,630 0.18,631 0.119,632 0.007,633 0.016,634 0.214,635 -0.039,636 -0.171,637 -0.089,638 -0.204,639 -0.171,640 -0.119,641 -0.19,642 -0.221,643 0.011,644 -0.027,645 0.091,646 -0.287,647 0.093,648 -1.422,649 0.372,650 -1.38,651 0.42,652 -1.582,653 -0.373,666 2.453,667 3.564,668 0.6,669 3.84,670 1.033,671 1.147,672 -0.364,673 0.132,674 0.601,675 2.398,676 2.708,677 2.833,678 2.833,679 2.944,680 2.398,681 1.099,685 2.704,686 0.593,687 143.16,688 2.398,689 3.892,690 4.691,691 5.533,692 6.358,693 7.195,694 8.026,695 8.862,696 9.695,697 10.53,698 5.3,705 1,741 19,743 2,745 10,747 19,748 6,752 2,756 1,757 1,763 2,767 2,770 2,772 2,773 4,777 2,782 2,786 2,793 9,794 4,795 1,796 4,802 1,808 1,809 3,829 1,843 1,846 1,859 1,864 2,868 10,877 1,878 1,880 2,893 15.8,896 2,898 1,901 6.333,902 3.917,903 2.222,904 1.167,907 0.316,908 1.069,909 0.847,910 1.833,911 4.89,912 2.565,913 2.944,914 3.178,915 3.135,916 3.296,917 2.833,918 1.792,922 0.667,923 13,924 3.689,925 0.02,926 1.539,927 0.026,929 8.5,931 6.618,932 0.009,933 5.075,934 0.015,935 0.001,936 3,937 30,938 0.011,941 94.169,942 29.546,943 18.011,945 61.29,948 29.546,949 155.459,950 18.011,951 17.65,952 18.011,954 62.186,955 11,957 94.169,959 94.169,960 47.557,961 61.29,964 23.542,965 131.916,968 35.661,969 11.896,972 94.169,973 79.3,974 29.546,977 94.169,978 11.896,979 17.65,980 18.011,981 61.29,982 94.169,983 79.3,984 29.546,986 0.6,987 0.347,988 0.142,989 0.076,990 7,991 4,995 1,996 2.031,997 49.557,999 6,1000 33.219,1005 7.381,1006 2.484,1007 1.422,1009 79.3,1017 18.011,1018 203.016,1019 12,1024 21.08,1028 -1.434,1031 19.618,1032 21.787,1034 0.395,1035 0.653,1036 0.808,1037 0.882,1038 0.882,1039 0.882,1040 3.807,1041 -1.473,1042 4.727,1043 -3.167,1044 3.367,1045 3.611,1046 2.18,1047 5.501,1048 3.295,1049 4.977,1050 -1.618,1051 6.301,1052 -4.372,1053 3.219,1054 3.611,1056 6.358,1057 3.154,1058 6.263,1059 -2,1060 7.969,1061 -4.66,1062 4.949,1063 5.451,1064 2.956,1065 9.352,1066 4.799,1067 7.572,1069 9.681,1070 -6.66,1071 5.485,1072 6.176,1074 10.874,1075 5.348,1076 8.907,1078 11.417,1080 6.808,1081 7.597,1082 3.869,1083 13.44,1084 6.587,1085 10.258,1087 13.169,1089 7.637,1090 8.621,1092 15.259,1093 7.415,1094 11.622,1096 14.93,1098 8.808,1099 9.902,1100 4.85,1101 17.643,1102 8.512,1103 2.935,1105 16.699,1107 9.767,1108 11.045,1110 19.617,1111 9.455,1112 2.303,1113 8.827,1114 18.474,1116 10.879,1117 12.282,1118 5.861,1119 21.909,1120 10.504,1121 1.618,1122 6.827,1123 20.253,1124 3.394,1125 11.898,1126 13.472,1128 23.969,1129 11.495,1130 0.618,1131 4.372,1132 22.037,1133 2.506,1134 12.986,1135 14.695,1136 6.884,1137 26.212,1138 12.529,1139 -0.463,1140 1.372,1141 23.823,1142 1.848,1143 14.034,1144 15.904,1146 28.321,1147 13.542,1148 -0.618,1149 -1.167,1150 25.612,1151 0.765,1152 15.114,1153 17.125,1154 7.911,1155 30.536,1156 14.573,1157 -1.303,1158 -1.372,1159 27.403,1160 -0.506,1161 16.176,1162 18.341,1164 32.674,1165 15.596,1166 466,1167 983,1168 5.781,1169 11.415,1170 15.372,1171 16.842,1172 15.801,1173 14.98,1174 14.949,1175 17.027,1176 5.465,1177 42.798,1178 14.439,1179 5.135,1180 5.59,1181 5.125,1182 5.006,1183 4.935,1184 5.394,1185 3.349,1186 15.488,1187 4.64,1188 6.021,1189 1.537,1190 1.684,1191 1.58,1192 1.498,1193 1.495,1194 1.703,1195 0.547,1196 4.28,1197 1.444,1198 3.844,1199 3.877,1200 3.777,1201 3.629,1202 7.501,1203 3.654,1204 3.345,1205 3.366,1206 3.242,1207 3.112,1208 7.354,1209 3.148,1210 3.18,1211 3.272,1212 2.967,1213 2.944,1214 4.525,1215 2.924,1216 2.724,1217 2.765,1218 2.589,1219 2.269,1220 3.976,1221 2.351,1222 2.445,1223 2.544,1224 2.128,1225 2.11,1226 3.623,1227 2.096,1228 2.002,1229 2.045,1230 1.807,1231 1.472,1232 3.447,1233 1.536,1234 1.596,1235 1.78,1236 1.179,1237 1.091,1238 2.45,1239 1.061,1240 1.177,1241 1.208,1242 0.752,1243 0.427,1244 1.687,1245 0.553,1246 0.413,1247 0.392,1248 0.612,1249 0.39,1250 0.294,1251 4.135,1252 0.339,1253 3.917,1254 0.167,1255 6.125,1256 0.883,1257 3.9,1258 0.282,1259 2.935,1260 3.394,1261 1.674,1262 8.827,1263 2.821,1264 1.745,1265 1.705,1266 1.947,1267 1.98,1268 1.191,1269 1.962,1270 1.234,1271 1.216,1272 1.588,1273 1.513,1274 0.678,1275 1.515,1276 1.185,1277 1.091,1278 1.367,1279 1.461,1280 0.27,1281 1.468,1282 0.515,1283 0.449,1284 0.878,1285 0.977,1287 0.919,1288 0.399,1289 0.311,1290 0.753,1291 0.783,1293 0.799,1296 0.334,1297 0.325,1299 0.259,1303 0.118,1305 0.179,1312 3.045,1314 4.344,1316 5.844,1318 7.434,1320 9.067,1322 3.525,1329 2.465,1330 4.66,1332 -0.296,1340 11.273,1341 31.917,1342 52.711,1343 65.201,1344 71.201,1345 71.201,1346 71.201,1347 17.002,1348 4.575,1349 55.4,1350 55.4,1351 6,1352 11.099,1353 1.585,1354 1.585,1355 16.488,1356 19,1357 8,1358 0.589,1359 73.859,1360 132.09,1361 171.977,1362 314,1364 7.724,1365 0.772,1366 0.588,1367 7.724,1368 5.879,1369 4.609,1370 0.461,1371 0.312,1372 3.049,1373 4.286,1374 2.933,1375 2.455,1376 4.609,1377 3.125,1378 4.381,1379 0.313,1380 0.169,1381 4.381,1382 2.373,1383 3.43,1384 0.214,1385 0.096,1386 3.43,1387 1.541,1388 2.102,1389 0.131,1390 0.044,1391 2.102,1392 0.707,1393 1.577,1394 0.088,1395 0.023,1396 1.577,1397 0.411,1398 0.812,1399 30.034,1400 0.416,1401 9.642,1402 1.909,1403 48,1404 213.539,1405 58.8,1406 191.859,1407 243.24,1408 176,1409 54,1410 164.608,1411 64.358,1412 159.755,1413 233.54,1414 149,1415 4}
{0 CHEMBL192809,1 1.4,2 3.286,3 0.159,4 0.025,5 26.168,6 6.675,8 2.721,9 2.838,10 2.121,11 2.192,12 3.931,13 2.144,14 3.216,15 3.438,16 2.324,17 2.365,18 4.405,19 2.3,20 3.327,21 3.521,22 2.307,23 2.235,24 5.005,25 2.21,26 3.038,27 3.201,28 1.59,29 1.929,30 4.483,31 1.845,32 2.755,33 3.062,34 0.633,35 1.542,36 3.689,37 1.27,38 2.195,39 2.648,40 0.062,41 0.835,42 2.303,43 0.485,56 0.016,57 0.173,58 3.155,59 1.462,60 5.79,61 1.922,62 0.06,63 0.226,64 5.624,65 1.916,66 18.855,67 2.78,68 0.26,69 0.202,70 6.874,71 1.649,72 63.861,73 2.418,74 0.19,75 0.145,76 5.148,77 1.164,78 45.139,79 1.659,80 0.102,81 0.101,82 3.691,83 0.896,84 22.695,85 1.485,86 0.045,87 0.043,88 2.003,89 0.421,90 10.028,91 0.841,104 21,105 7,106 0.35,107 0.51,108 0.752,109 0.785,110 0.72,111 0.524,112 2.15,113 1.109,114 -1.31,115 -1.39,116 -1.45,121 33.3,122 2,123 1,158 2,176 1,180 2,191 1,192 3,200 1,206 1,214 1,281 29,282 4.199,283 4.199,284 4.199,285 4.199,286 4.199,287 3.9,288 5.332,289 2.483,290 4.124,291 2.835,292 2.835,293 2.835,294 2.835,295 2.835,296 2.279,297 3.846,298 1.052,299 2.693,300 2.507,301 1.867,302 0.901,303 0.767,304 1.028,305 1.809,306 2.603,312 1,313 36,314 2.646,325 0.612,326 12.375,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 16,338 23,339 3.981,340 3.843,341 5.722,342 3.689,343 2.629,344 3.282,345 1.277,346 7.31,347 2.775,348 2.71,349 2.891,350 3.513,351 2.302,352 1.23,353 1.586,354 1.277,355 2.48,356 1.309,357 1.466,358 1,359 2,360 1.21,361 0.14,362 0.169,364 0.182,365 0.148,366 0.489,367 0.366,368 1.31,369 0.1,370 -1,371 -1.326,373 -2,374 -1.091,376 -0.584,377 1,378 -0.233,379 -1.32,380 -1.711,381 -1.277,382 -2.843,383 -1.436,384 -0.646,385 -1.357,386 0.456,387 -0.667,388 -1.678,389 -2,390 -1.277,391 -5.128,392 -1.706,474 3.167,475 0.452,476 0.233,477 0.033,478 6.5,479 0.929,480 3,481 0.429,482 3.5,483 0.5,484 3.952,485 0.565,486 8.833,487 0.589,488 3.605,489 0.515,490 1.348,491 0.193,492 1.832,493 0.262,494 0.526,496 0.316,501 0.505,502 1.5,503 0.873,504 1.493,505 0.546,506 1.31,507 0.564,508 1.227,509 0.648,510 1.195,511 0.586,512 0.976,513 1.279,514 0.925,515 1.045,516 0.91,517 1.266,518 0.913,519 2.153,520 1.048,521 1.888,522 1.081,523 2.111,524 1.37,525 0.91,526 0.837,527 1.14,528 0.881,529 0.911,530 1.05,549 2,551 1.111,552 0.25,559 106,560 468,561 1.511,562 53.3,563 3,568 5,572 1.246,573 1.355,574 1.97,575 -0.668,582 20.994,583 1.4,584 2.04,585 3.006,586 3.14,587 2.879,588 2.098,589 1.449,590 2.522,591 2.776,592 1.884,593 39.568,594 4.251,595 195.555,600 58.603,601 1.379,602 2.626,603 0.333,605 0.159,606 0.042,613 0.534,614 1,615 1,616 1.379,617 17.873,618 -0.001,619 -0.143,620 -0.053,621 -0.142,622 -0.035,623 -0.116,624 0.075,625 -0.19,626 0.226,627 -0.146,628 0.055,629 0.053,630 0.033,631 -0.04,632 -0.021,633 -0.044,634 0.052,635 -0.047,636 -0.61,637 -0.162,638 -0.853,639 -0.235,640 -0.555,641 -0.563,642 -0.131,643 -0.098,644 -0.257,645 -0.122,646 -0.148,647 -0.211,648 0.315,649 0.495,650 0.84,651 0.572,652 0.286,653 0.816,666 2.012,667 3.162,669 2.408,670 1.013,671 1.139,672 0.076,673 0.006,674 0.597,675 1.946,676 2.079,677 1.946,678 1.099,685 2.39,686 0.569,687 100.13,688 1.946,689 3.296,690 3.97,691 4.691,692 5.398,693 6.12,694 6.834,695 7.556,696 8.272,697 8.994,741 15,743 2,745 6,747 14,748 5,752 2,763 2,770 1,772 2,773 3,777 2,782 2,786 2,793 8,794 2,796 2,809 2,841 2,864 2,868 7,876 1,893 13.3,896 2,901 5.167,902 3.333,903 1.778,904 1.021,907 0.37,908 1.11,909 0.802,910 2.278,911 3.738,912 2.197,913 2.485,914 2.565,915 1.386,922 1,923 6,924 2.557,925 -0.113,926 0.921,927 0.248,929 8.762,930 0.001,931 4.536,932 -0.052,933 2.943,934 0.144,935 0.01,936 3.262,937 22.833,938 0.034,941 94.169,942 30.452,945 50.29,948 30.452,949 144.459,951 17.65,952 2.535,954 60.557,957 94.169,959 94.169,960 30.452,961 50.29,964 94.169,965 50.29,968 20.185,969 10.267,972 94.169,973 50.29,974 30.452,977 94.169,978 12.801,979 17.65,981 50.29,982 94.169,983 50.29,984 30.452,986 0.557,987 0.305,988 0.06,990 2,991 2,992 0.143,993 2,996 1.627,997 22.389,1000 19.651,1005 6.351,1006 2.511,1007 2.098,1009 50.29,1018 174.911,1019 8,1024 20.187,1028 -0.637,1031 15.189,1032 17.08,1034 0.358,1035 0.522,1036 0.769,1037 0.804,1038 0.737,1039 0.537,1040 3.296,1042 3.97,1044 2.708,1045 3.135,1046 2.019,1047 4.595,1048 2.809,1049 4.466,1051 5.493,1053 2.565,1054 3.219,1056 5.485,1057 2.734,1058 5.74,1060 7.127,1062 4.143,1063 5.017,1064 2.456,1065 8.207,1066 4.349,1067 7.051,1069 8.811,1071 4.71,1072 5.832,1074 9.753,1075 4.993,1076 8.387,1078 10.52,1080 5.894,1081 7.216,1082 2.912,1083 12.053,1084 6.211,1085 9.738,1087 12.243,1089 6.718,1090 8.281,1092 13.836,1093 7.106,1094 11.098,1096 13.974,1098 7.766,1099 9.535,1100 3.38,1101 15.971,1102 8.195,1103 2.629,1105 15.711,1107 8.679,1108 10.682,1110 17.861,1111 9.173,1112 1.23,1113 7.31,1114 17.45,1116 9.678,1117 11.894,1118 3.857,1119 19.921,1120 10.217,1121 0.14,1122 2.48,1123 19.192,1124 3.282,1125 10.624,1126 13.068,1128 21.861,1129 11.223,1130 -1,1131 0.182,1132 20.934,1133 1.586,1134 11.603,1135 14.264,1136 4.338,1137 23.885,1138 12.253,1139 -1.32,1140 -2,1141 22.677,1142 0.169,1143 12.561,1144 15.448,1146 25.85,1147 13.268,1148 -1.678,1149 -2.843,1150 24.421,1151 -1.326,1152 13.533,1153 16.639,1154 4.823,1155 27.856,1156 14.292,1158 -5.128,1159 26.165,1160 -1.711,1161 14.496,1162 17.826,1164 29.833,1165 15.311,1166 168,1167 384,1168 2.89,1169 8.955,1170 8.315,1171 9.362,1172 9.135,1173 8.001,1174 7.996,1175 10.074,1176 5.11,1177 19.943,1178 8.465,1179 4.628,1180 5.2,1181 5.266,1182 4.356,1183 4.307,1184 5.282,1185 2.555,1186 12.438,1187 4.481,1188 4.504,1189 1.386,1190 1.56,1191 1.523,1192 1.334,1193 1.333,1194 1.679,1195 0.852,1196 3.324,1197 1.411,1198 3.741,1199 3.764,1200 3.664,1201 3.565,1202 7.497,1203 3.581,1204 3.322,1205 3.401,1206 3.11,1207 3.12,1208 7.352,1209 3.104,1210 2.807,1211 2.879,1212 2.579,1213 2.502,1214 3.995,1215 2.503,1216 2.316,1217 2.391,1218 2.106,1219 1.904,1220 3.73,1221 1.918,1222 2.052,1223 2.079,1224 1.688,1225 1.521,1226 2.799,1227 1.596,1228 0.941,1229 1.207,1230 0.112,1231 0.38,1232 1.875,1233 0.262,1234 0.941,1235 1.207,1236 0.083,1237 0.38,1238 0.999,1239 0.262,1240 0.941,1241 1.207,1242 0.083,1243 0.38,1244 0.999,1245 0.262,1246 0.664,1247 0.641,1248 0.954,1249 0.615,1250 0.438,1251 3.981,1252 0.547,1253 3.843,1254 0.213,1255 5.722,1256 1.218,1257 3.689,1258 0.463,1259 2.629,1260 3.282,1261 1.277,1262 7.31,1263 2.775,1264 1.673,1265 1.642,1266 1.893,1267 1.875,1268 1.036,1269 1.874,1270 1.327,1271 1.249,1272 1.667,1273 1.573,1274 0.702,1275 1.608,1276 0.753,1277 0.674,1278 1.127,1279 1.093,1280 0.192,1281 1.102,1282 0.234,1283 0.13,1284 0.652,1285 0.657,1287 0.67,1291 0.357,1293 0.222,1312 2.565,1314 3.714,1316 5.056,1318 6.463,1320 7.891,1322 2.954,1328 0.329,1340 8.537,1341 20.994,1342 30.603,1343 45.094,1344 47.094,1345 43.187,1346 31.466,1347 14.4,1348 3.367,1349 34.14,1350 34.14,1352 9.66,1353 1.585,1354 1.585,1355 14.554,1356 9,1357 8,1358 0.966,1359 60.87,1360 107.36,1361 140.282,1362 46,1364 5.862,1365 0.837,1366 0.646,1367 5.862,1368 4.524,1369 3.181,1370 0.53,1371 0.37,1372 2.191,1373 3.038,1374 2.05,1375 1.772,1376 3.181,1377 2.219,1378 2.63,1379 0.376,1380 0.19,1381 2.63,1382 1.333,1383 1.782,1384 0.297,1385 0.119,1386 1.782,1387 0.714,1388 0.471,1389 0.236,1390 0.124,1391 0.471,1392 0.249,1398 1.271,1399 20.239,1400 0.588,1401 6.669,1402 3.253,1403 26,1404 133.471,1405 30.207,1406 122.06,1407 144.62,1408 110,1409 26,1410 85.273,1411 29.765,1412 84.289,1413 115.58,1414 78,1415 4}
{0 CHEMBL1929421,1 1.295,2 16.879,3 6.988,4 48.825,5 138.664,6 6.338,7 0.444,8 4.303,9 4.439,10 3.744,11 3.842,12 5.248,13 3.784,14 4.888,15 5.099,16 4.054,17 4.241,18 5.707,19 4.156,20 5.153,21 5.383,22 4.086,23 4.43,24 5.919,25 4.29,26 5.313,27 5.598,28 3.99,29 4.443,30 5.988,31 4.258,32 5.229,33 5.513,34 3.934,35 4.364,36 5.94,37 4.188,38 5.184,39 5.463,40 3.864,41 4.32,42 5.887,43 4.137,44 5.095,45 5.376,46 3.758,47 4.225,48 5.828,49 4.044,50 4.922,51 5.185,52 3.648,53 4.129,54 5.661,55 3.942,56 0.081,57 0.981,58 16.802,59 6.779,60 13.039,61 9.732,62 0.265,63 1.639,64 30.756,65 10.784,66 22.746,67 16.033,68 0.308,69 2.017,70 39.553,71 15.378,72 30.61,73 22.171,74 0.32,75 2.214,76 46.087,77 17.697,78 35.99,79 25.945,80 0.371,81 2.037,82 42.563,83 16.022,84 37.985,85 23.55,86 0.29,87 1.915,88 40.528,89 15.842,90 34.318,91 22.862,92 0.433,93 1.714,94 37.402,95 14.343,96 38.932,97 20.548,98 0.164,99 1.514,100 30.762,101 12.845,102 27.214,103 18.422,104 14,105 48,106 0.203,107 0.51,108 0.74,109 0.844,110 0.851,111 0.851,112 3.531,113 1.018,114 -5.14,115 -5.03,116 -4.71,121 41.4,123 4,124 1,126 2,127 6,142 1,143 1,144 9,145 2,146 1,154 2,176 14,180 10,187 13,191 1,192 10,200 8,206 6,214 5,218 1,219 7,227 10,232 2,239 14,243 2,244 1,251 17,256 1,264 13,269 6,277 6,281 2097,282 22.662,283 22.662,284 22.662,285 22.662,286 22.662,287 20.522,288 25.961,289 13.821,290 23.114,291 17.787,292 17.787,293 17.787,294 17.787,295 17.787,296 14.587,297 31.02,298 6.578,299 18.512,300 4.834,301 2.878,302 1.411,303 0.747,304 0.707,305 0.707,306 4.23,312 1,313 1201,314 3.873,317 89.901,318 357.786,321 160.529,325 2.61,326 13.86,329 1,330 0.83,331 0.83,332 1,333 0.5,334 1,335 1,336 0.88,337 68.5,338 557,339 4.627,340 3.302,341 6.693,342 4.147,343 3.186,344 4.584,345 1.102,346 10.791,347 3.063,348 3.941,349 3.018,350 5.651,351 3.69,352 2.726,353 3.457,354 0.916,355 7.788,356 2.634,357 3.854,358 2.94,359 5.616,360 3.488,361 2.541,362 3.31,363 0.86,364 7.586,365 2.47,366 3.607,367 2.783,368 5.331,369 3.465,370 2.472,371 2.666,372 0.461,373 6.949,374 2.387,375 3.589,376 2.562,377 5.261,378 3.233,379 2.313,380 2.636,381 0.172,382 6.59,383 2.123,384 3.355,385 2.262,386 4.955,387 3.041,388 2.087,389 2.452,391 5.867,392 1.98,393 3.184,394 2.214,395 4.946,396 2.814,397 1.868,398 2.303,400 5.491,401 1.76,402 3.155,403 1.859,404 4.702,405 2.656,406 1.677,407 2.246,409 4.877,410 1.639,411 2.96,412 1.661,413 3.637,414 2.443,415 1.455,416 1.933,418 3.093,419 1.437,420 2.829,421 1.599,422 3.587,423 2.346,424 1.374,425 1.583,427 2.978,428 1.329,429 2.5,430 1.508,431 3.553,432 2.026,433 1.049,434 1.5,436 2.275,437 1.023,438 2.475,439 1.077,440 3.414,441 2,442 1,443 1.463,445 2.211,446 1,447 2.224,448 1.021,449 3.247,450 1.984,451 1,452 1.12,454 2.136,455 0.983,456 2,457 1,458 3.115,459 1.807,460 0.837,461 1,463 1.611,464 0.809,465 1.603,466 0.757,467 3.032,468 1.456,469 0.518,470 0.551,472 1.207,473 0.481,474 16.033,475 0.486,476 0.639,477 0.019,478 37.25,479 1.129,480 16.5,481 0.5,482 20.75,483 0.629,484 32.569,485 0.987,486 36.167,487 0.517,488 26.582,489 0.806,490 7.219,491 0.219,492 8.899,493 0.27,494 0.094,496 0.262,501 0.951,502 1.452,503 0.953,504 1.209,505 0.84,506 1.1,507 1.642,508 1.038,509 1.077,510 0.929,511 0.819,512 0.944,513 1.232,514 1.148,515 1.15,516 1.152,517 0.9,518 1.149,519 0.956,520 1.044,521 0.984,522 1.027,523 0.747,524 1.012,525 1.024,526 0.939,527 0.989,528 0.963,529 1.068,530 0.969,531 1.104,532 1.008,533 1.002,534 1.034,535 0.879,536 1.02,537 1.4,538 0.782,539 1.017,540 0.861,541 1.252,542 0.914,543 0.642,544 1.128,545 1.04,546 1.19,547 1.023,548 1.155,549 6,550 0.135,551 2.667,552 2.139,553 1.267,554 0.799,555 0.596,556 0.424,557 0.19,558 0.178,559 19339,560 38302,561 2.097,562 52.9,563 3,564 27,565 1,569 6,572 1.743,573 2,574 4.008,575 -0.871,582 90.664,583 1.295,584 3.252,585 4.718,586 5.383,587 5.422,588 5.422,589 3.498,590 4.658,591 5.014,592 4.195,593 2215,594 8.729,595 36950.2,600 429.05,601 1.241,602 4.992,603 0.167,604 0.005,605 0.056,606 0.046,607 0.031,608 0.02,609 0.017,610 0.013,611 0.007,612 0.007,613 0.367,614 0.33,615 1,616 1.079,617 182.372,618 0.088,619 -0.238,620 0.08,621 -0.093,622 0.089,623 -0.023,624 -0.164,625 0.114,626 -0.023,627 0.068,628 0.001,629 0.042,630 -0.066,631 -0.097,632 -0.141,633 -0.133,634 -0.026,635 -0.143,636 -0.003,637 -0.085,638 -0.005,639 -0.05,640 0.032,641 -0.032,642 0.034,643 0.034,644 -0.001,645 0.005,646 -0.064,647 0.002,648 -0.02,649 -0.062,650 -0.019,651 -0.048,652 0.009,653 -0.036,654 0.008,655 0.152,656 -0.013,657 0.113,658 -0.081,659 0.055,660 0.035,661 -0.162,662 -0.083,663 -0.165,664 -0.043,665 -0.137,666 0.845,667 2.617,668 0.636,669 46.54,670 0.981,671 1.125,672 3.91,673 15.284,674 0.649,675 3.611,676 3.892,677 4.127,678 4.369,679 4.564,680 4.595,681 4.727,682 4.804,683 4.771,684 4.787,685 9.567,686 0.596,687 443.69,688 3.611,689 5.13,690 5.958,691 6.815,692 7.662,693 8.527,694 9.384,695 10.255,696 11.12,697 11.995,698 4.3,701 2,706 1,714 2,715 9,720 3,721 1,722 16,739 1,741 70,743 17,744 2,745 36,747 73,748 29,749 14,750 4,751 8,756 4,757 5,767 2,768 1,770 4,771 2,772 14,773 13,774 1,793 37,794 3,796 4,802 3,808 0.75,809 1,824 1,828 1,829 3,832 1,836 1,837 1,855 2,859 3,864 2,868 33,876 10,878 1,880 1,881 2,885 1,886 1,891 1,893 1.4,898 1,901 16.5,902 12.933,903 7.417,904 4.368,907 2.956,908 1.37,909 0.971,910 8.366,911 10.936,912 3.85,913 4.366,914 4.893,915 5.466,916 5.944,917 6.185,918 6.56,919 6.874,920 6.827,921 6.873,922 1,923 47,924 12.22,926 4.989,927 0.026,929 7.399,931 24.47,933 20.2,936 1.899,937 62.667,941 435.531,942 183.593,943 8.148,945 11,948 183.593,949 446.531,950 8.148,951 16.793,952 25.259,953 85.286,955 30.15,956 57.024,957 423.76,959 435.531,960 191.74,961 11,964 364.904,965 81.626,968 33.407,969 141.303,970 17.031,972 435.531,973 19.148,974 183.593,977 435.531,978 41.162,979 110.227,980 17.031,981 34.321,982 435.531,983 19.148,984 183.593,986 0.566,987 0.322,988 0.175,989 0.094,990 21,991 9,992 0.137,993 10,994 1,995 1.095,996 4.69,997 280.577,998 0.095,999 21,1000 158.465,1005 23.733,1006 11.633,1007 6.559,1008 2.457,1009 17.249,1010 19.502,1015 3.652,1016 2.246,1018 638.271,1019 46,1031 68.654,1032 78.763,1034 0.211,1035 0.53,1036 0.77,1037 0.878,1038 0.885,1039 0.885,1040 5.081,1041 1.677,1042 5.911,1043 5.491,1044 4.575,1045 5.053,1046 1.898,1047 6.663,1048 4.498,1049 6.25,1050 1.455,1051 7.427,1052 4.877,1053 4.007,1054 4.732,1055 0.57,1056 7.42,1057 3.865,1058 7.528,1059 1.374,1060 9.042,1061 3.093,1062 6.107,1063 7.183,1064 1.699,1065 10.519,1066 5.953,1067 8.838,1068 1.049,1069 10.716,1070 2.978,1071 6.382,1072 7.793,1073 0.851,1074 12.159,1075 6.163,1076 10.185,1077 1,1078 12.431,1079 2.275,1080 7.915,1081 9.701,1082 1.61,1083 14.767,1084 7.685,1085 11.559,1086 1,1087 14.176,1088 2.211,1089 8.611,1090 10.786,1091 1.036,1092 16.815,1093 8.323,1094 12.956,1095 0.837,1096 15.943,1097 2.136,1098 9.9,1099 12.465,1100 1.586,1101 19.262,1102 9.595,1103 3.186,1104 0.518,1105 17.73,1106 1.611,1107 10.816,1108 13.786,1109 1.193,1110 21.499,1111 10.459,1112 2.726,1113 10.791,1114 19.534,1115 1.207,1116 12.004,1117 15.368,1118 1.607,1119 23.896,1120 11.621,1121 2.541,1122 7.788,1123 21.351,1124 4.584,1125 13.033,1126 16.8,1127 1.344,1128 26.214,1129 12.603,1130 2.472,1131 7.586,1132 23.181,1133 3.457,1134 14.183,1135 18.343,1136 1.664,1137 28.596,1138 13.722,1139 2.313,1140 6.949,1141 25.022,1142 3.31,1143 15.27,1144 19.824,1145 1.497,1146 30.948,1147 14.765,1148 2.087,1149 6.59,1150 26.872,1151 2.666,1152 16.411,1153 21.353,1154 1.751,1155 33.327,1156 15.871,1157 1.868,1158 5.867,1159 28.73,1160 2.636,1161 17.528,1162 22.857,1163 1.653,1164 35.694,1165 16.946,1166 18303,1167 25860,1168 24.444,1169 45.415,1170 53.474,1171 53.229,1172 53.69,1173 52.441,1174 52.388,1175 65.806,1176 7.022,1177 143.348,1178 50.409,1179 5.627,1180 5.302,1181 6.495,1182 5.213,1183 5.186,1184 7.584,1185 2.027,1186 17.868,1187 5.063,1188 14.03,1189 1.485,1190 1.479,1191 1.491,1192 1.457,1193 1.455,1194 1.828,1195 0.195,1196 3.982,1197 1.4,1198 4.147,1199 4.181,1200 4.108,1201 4.053,1202 5.43,1203 4.062,1204 3.958,1205 4.007,1206 3.868,1207 3.87,1208 4.961,1209 3.864,1210 3.831,1211 3.876,1212 3.715,1213 3.732,1214 4.755,1215 3.72,1216 3.68,1217 3.743,1218 3.579,1219 3.517,1220 4.566,1221 3.524,1222 3.571,1223 3.632,1224 3.449,1225 3.393,1226 4.32,1227 3.396,1228 3.425,1229 3.486,1230 3.299,1231 3.296,1232 4.181,1233 3.288,1234 3.215,1235 3.285,1236 3.068,1237 3.049,1238 4.014,1239 3.044,1240 3.186,1241 3.268,1242 3.011,1243 3.008,1244 3.848,1245 2.999,1246 0.129,1247 0.092,1248 0.186,1249 0.115,1250 0.089,1251 4.627,1252 0.127,1253 3.302,1254 0.031,1255 6.693,1256 0.3,1257 4.147,1258 0.085,1259 3.186,1260 4.584,1261 1.102,1262 10.791,1263 3.063,1264 1.938,1265 1.912,1266 2.105,1267 2.071,1268 1.49,1269 2.085,1270 1.927,1271 1.895,1272 2.024,1273 2.03,1274 1.19,1275 2.026,1276 1.842,1277 1.793,1278 2.004,1279 1.954,1280 1.153,1281 1.976,1282 1.722,1283 1.662,1284 1.898,1285 1.918,1286 1.104,1287 1.919,1288 1.533,1289 1.467,1290 1.796,1291 1.748,1292 1.073,1293 1.765,1294 1.499,1295 1.443,1296 1.71,1297 1.686,1298 0.825,1299 1.7,1300 1.226,1301 1.16,1302 1.513,1303 1.44,1304 0.806,1305 1.462,1306 1.195,1307 1.113,1308 1.508,1309 1.398,1310 0.734,1311 1.437,1312 4.29,1314 5.58,1315 2.398,1316 7.055,1317 4.844,1318 8.616,1319 7.018,1320 10.224,1322 4.173,1328 10.794,1330 6.117,1332 0.833,1333 4.744,1337 5.439,1339 2.708,1340 41.735,1341 90.664,1342 227.609,1343 330.256,1344 376.785,1345 379.54,1346 379.54,1347 49.149,1348 7.98,1349 20.64,1350 20.64,1351 23,1352 12.537,1353 4.17,1354 3.459,1355 55.014,1356 193,1357 176,1358 0.136,1359 257.407,1360 446.15,1361 619.834,1362 39884,1364 23.045,1365 0.698,1366 0.611,1367 23.045,1368 20.172,1369 16.119,1370 0.448,1371 0.339,1372 12.084,1373 15.667,1374 11.691,1375 9.756,1376 16.119,1377 12.216,1378 13.998,1379 0.292,1380 0.198,1381 13.998,1382 9.488,1383 11.493,1384 0.188,1385 0.113,1386 11.493,1387 6.888,1388 9.518,1389 0.122,1390 0.063,1391 9.518,1392 4.951,1393 7.486,1394 0.079,1395 0.037,1396 7.486,1397 3.512,1398 0.227,1399 99.551,1400 0.202,1401 31.983,1402 0.338,1403 168,1404 370.671,1405 177.788,1406 367.711,1407 511.05,1408 348,1409 193,1410 375.497,1411 204.343,1412 389.366,1413 561.46,1414 363,1415 6.42}
{0 CHEMBL192953,1 1.44,2 10.652,3 1.699,4 2.887,5 92.583,6 6.35,7 0.25,8 3.961,9 4.105,10 3.382,11 3.428,12 4.932,13 3.38,14 4.553,15 4.783,16 3.679,17 3.793,18 5.449,19 3.715,20 4.815,21 5.062,22 3.747,23 3.976,24 5.727,25 3.862,26 4.897,27 5.143,28 3.626,29 3.988,30 5.803,31 3.829,32 4.973,33 5.288,34 3.568,35 3.87,36 5.906,37 3.707,38 4.696,39 4.974,40 3.567,41 3.769,42 5.627,43 3.659,44 4.634,45 4.856,46 3.548,47 3.771,48 5.729,49 3.658,50 4.706,51 4.99,52 3.257,53 3.58,54 5.759,55 3.436,56 0.032,57 0.716,58 12.008,59 4.464,60 5.635,61 6.723,62 0.3,63 1.117,64 22.348,65 6.643,66 18.769,67 10.766,68 0.464,69 1.315,70 29.112,71 9.309,72 35.302,73 14.088,74 0.263,75 1.333,76 31.031,77 10.704,78 43.492,79 15.888,80 0.593,81 1.286,82 34.052,83 9.423,84 85.979,85 15.26,86 0.386,87 1.086,88 25.806,89 7.742,90 38.387,91 11.978,92 0.206,93 1.04,94 24.079,95 8.255,96 44.694,97 11.982,98 0.425,99 0.944,100 26.461,101 7.077,102 72.377,103 11.029,104 24,105 31,106 0.248,107 0.48,108 0.665,109 0.764,110 0.788,111 0.808,112 3.187,113 1.057,114 -2.8,115 -2.81,116 -2.73,121 36,122 2,123 1,127 7,144 5,145 1,160 2,176 7,179 2,180 3,187 8,191 4,192 1,200 5,206 3,214 2,218 2,219 7,231 2,232 5,244 8,256 10,269 3,281 725,282 15.585,283 15.585,284 15.585,285 15.585,286 15.585,287 14.574,288 18.96,289 9.361,290 15.928,291 11.693,292 11.693,293 11.693,294 11.693,295 11.693,296 10.124,297 19.679,298 4.29,299 12.131,300 4.204,301 2.859,302 1.782,303 1.205,304 1.07,305 0.95,306 3.85,310 1,311 1,312 1,313 500,314 3.391,318 172.345,325 2.102,326 22.232,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 49.5,338 245,339 4.146,340 3.887,341 6.252,342 3.952,343 2.993,344 3.449,345 2.058,346 9.372,347 2.863,348 3.895,349 3.528,350 5.749,351 3.534,352 2.551,353 3.308,354 1.909,355 7.636,356 2.521,357 3.631,358 2.793,359 5.332,360 3.402,361 2.457,362 2.776,363 0.8,364 6.922,365 2.322,366 3.421,367 2.733,368 5.263,369 3.271,370 2.32,371 2.43,372 0.767,373 6.599,374 2.189,375 2.965,376 2.363,377 4.547,378 2.705,379 1.708,380 2.111,381 0.397,382 4.68,383 1.684,384 2.834,385 2.073,386 3.763,387 2.497,388 1.502,389 1.846,391 3.205,392 1.492,393 2.5,394 1.573,395 3.565,396 2.081,397 1.085,398 1.5,400 2.583,401 1.072,402 2.344,403 1,404 3.247,405 2,406 1,407 1.235,409 2.136,410 1,411 1.697,412 0.963,413 3.128,414 1.609,415 0.637,416 0.666,418 1.411,419 0.617,420 1.618,421 0.829,422 2.741,423 1.591,424 0.618,425 0.618,427 0.791,428 0.6,429 1.569,430 0.744,431 2.631,432 1.277,433 0.257,434 0.306,436 0.556,437 0.259,438 0.87,439 0.547,440 2.618,441 0.749,442 -0.238,443 -0.251,445 -0.363,446 -0.233,447 0.833,448 0.184,449 2.22,450 0.526,451 -0.47,452 -0.544,454 -1.153,455 -0.462,456 0.594,457 -0.221,458 1.889,459 0.266,460 -0.741,461 -0.819,463 -1.795,464 -0.727,465 0.5,466 -0.51,467 1.555,468 0.164,469 -0.882,470 -1.155,472 -2.018,473 -0.919,474 10.867,475 0.472,476 0.451,477 0.02,478 23.75,479 1.033,480 9,481 0.391,482 14.75,483 0.641,484 21.101,485 0.917,486 26.933,487 0.539,488 16.884,489 0.734,490 4.825,491 0.21,492 6.309,493 0.274,494 0.153,496 0.248,501 0.68,502 1.745,503 0.938,504 1.397,505 0.515,506 1.226,507 0.892,508 1.153,509 1.011,510 0.991,511 0.552,512 0.989,513 1.072,514 0.858,515 1.086,516 0.957,517 1.027,518 1.005,519 1.094,520 1.339,521 1.143,522 1.337,523 1.312,524 1.274,525 1.084,526 0.781,527 0.847,528 0.71,529 1.057,530 0.738,531 1.172,532 0.707,533 0.903,534 0.737,535 1.089,536 0.766,537 1.332,538 1.311,539 1.118,540 1.322,541 1.568,542 1.223,543 1.923,544 0.878,545 1.146,546 0.845,547 2.118,548 0.896,549 4.5,550 0.054,551 2.444,552 1.063,553 1.156,554 0.66,555 0.448,556 0.377,557 0.188,558 0.046,559 5620,560 12387,561 1.971,562 54,564 19,569 8,572 1.654,573 1.84,574 3.383,575 -0.772,576 1,577 1,582 71.997,583 1.44,584 2.785,585 3.862,586 4.439,587 4.574,588 4.694,589 2.947,590 3.915,591 4.489,592 3.568,593 902.654,594 7.718,595 10697.1,597 1,599 1,600 282.193,601 1.41,602 4.449,603 0.188,604 0.006,605 0.079,606 0.033,607 0.044,608 0.026,609 0.017,610 0.015,611 0.011,612 0.004,613 0.423,614 0.5,615 1,616 1.532,617 109.665,618 0.022,619 -0.392,620 0.057,621 -0.165,622 -0.004,623 -0.071,624 0.052,625 0.044,626 0.007,627 0.021,628 0.025,629 0.014,630 0.026,631 0.23,632 -0.073,633 0.038,634 -0.043,635 -0.019,636 -0.064,637 -0.351,638 -0.165,639 -0.296,640 -0.103,641 -0.256,642 0.084,643 0.087,644 0.15,645 0.156,646 0.104,647 0.163,648 -0.007,649 0.286,650 0.111,651 0.197,652 0.01,653 0.179,654 -0.071,655 -0.29,656 -0.106,657 -0.261,658 -0.012,659 -0.199,660 -0.247,661 -0.015,662 -0.09,663 0.026,664 -0.154,665 -0.008,666 1.611,667 5.274,668 0.522,669 23.546,670 0.991,671 1.138,672 1.571,673 2.468,674 0.621,675 3.219,676 3.466,677 3.664,678 3.784,679 3.97,680 3.932,681 3.932,682 3.97,683 4.043,684 3.97,685 6.394,686 0.576,687 317.48,688 3.219,689 4.71,690 5.517,691 6.347,692 7.174,693 8.01,694 8.845,695 9.686,696 10.526,697 11.37,698 6,701 1,705 2,715 5,720 1,722 6,741 50,743 8,744 1,745 24,747 51,748 18,749 6,750 1,751 5,756 2,757 2,763 2,770 1,772 8,773 10,777 2,782 2,786 2,789 1,790 1,793 27,794 5,796 5,802 3,808 1,809 2,829 2,844 2,855 1,859 2,864 2,868 23,876 8,881 3,893 4,896 2,901 12.5,902 9.35,903 5.389,904 3.369,907 1.079,908 1.167,909 0.925,910 6.907,911 7.531,912 3.401,913 3.795,914 4.139,915 4.438,916 4.82,917 4.586,918 4.68,919 4.832,920 5.081,921 5.238,922 1,923 32,924 8.591,926 3.486,927 0.026,929 7.717,931 16.683,933 13.203,936 2.217,937 51,941 317.82,942 94.901,943 9.373,945 50.29,948 94.901,949 368.11,950 9.373,951 17.65,952 23.523,953 47.381,954 59.699,955 6.31,957 317.82,959 317.82,960 104.274,961 50.29,964 223.651,965 144.459,968 44.298,969 59.976,972 317.82,973 59.663,974 94.901,977 317.82,978 29.869,979 74.405,981 50.29,982 317.82,983 59.663,984 94.901,986 0.561,987 0.33,988 0.159,989 0.082,990 12,991 6,992 0.157,993 8,995 1,996 3.557,997 164.896,999 12,1000 96.042,1005 17.803,1006 8.923,1007 5.242,1009 59.663,1010 10.063,1015 1.191,1018 472.384,1019 29,1024 24.538,1028 0.116,1031 49.563,1032 56.896,1034 0.255,1035 0.493,1036 0.684,1037 0.786,1038 0.81,1039 0.832,1040 4.61,1041 1,1042 5.468,1043 2.583,1044 4.143,1045 4.477,1046 2.799,1047 6.192,1048 4.076,1049 5.731,1050 0.637,1051 6.982,1052 2.136,1053 3.611,1054 4.034,1055 2.301,1056 6.952,1057 3.499,1058 6.979,1059 0.618,1060 8.594,1061 1.411,1062 5.659,1063 6.351,1064 3.772,1065 9.966,1066 5.508,1067 8.252,1068 0.257,1069 10.262,1070 0.791,1071 5.943,1072 6.663,1073 3.891,1074 11.513,1075 5.743,1076 9.556,1077 -0.238,1078 11.965,1079 0.556,1080 7.432,1081 8.494,1082 4.992,1083 14.038,1084 7.196,1085 10.879,1086 -0.47,1087 13.691,1088 -0.363,1089 8.099,1090 9.14,1091 5.387,1092 15.923,1093 7.815,1094 12.216,1095 -0.741,1096 15.434,1097 -1.153,1098 9.35,1099 10.771,1100 6.301,1101 18.273,1102 9.031,1103 2.993,1104 -0.882,1105 17.189,1106 -1.795,1107 10.214,1108 11.59,1109 6.836,1110 20.323,1111 9.846,1112 2.551,1113 9.372,1114 18.954,1115 -2.018,1116 11.36,1117 13.115,1118 7.652,1119 22.603,1120 10.955,1121 2.457,1122 7.636,1123 20.726,1124 3.449,1125 12.326,1126 14.039,1127 8.263,1128 24.739,1129 11.874,1130 2.32,1131 6.922,1132 22.505,1133 3.308,1134 13.429,1135 15.496,1136 9.027,1137 26.991,1138 12.937,1139 1.708,1140 6.599,1141 24.289,1142 2.776,1143 14.451,1144 16.492,1145 9.681,1146 29.173,1147 13.911,1148 1.502,1149 4.68,1150 26.078,1151 2.43,1152 15.538,1153 17.898,1154 10.417,1155 31.413,1156 14.956,1157 1.085,1158 3.205,1159 27.872,1160 2.111,1161 16.589,1162 18.946,1163 11.094,1164 33.62,1165 15.96,1166 5718,1167 8605,1168 15.603,1169 31.063,1170 34.656,1171 35.626,1172 35.67,1173 34.299,1174 34.255,1175 40.491,1176 11.861,1177 91.783,1178 33.235,1179 5.146,1180 5.887,1181 6.054,1182 5.02,1183 4.993,1184 6.449,1185 3.571,1186 16.06,1187 4.863,1188 12.134,1189 1.444,1190 1.484,1191 1.486,1192 1.429,1193 1.427,1194 1.687,1195 0.494,1196 3.824,1197 1.385,1198 3.955,1199 3.999,1200 3.877,1201 3.868,1202 7.434,1203 3.862,1204 3.849,1205 3.896,1206 3.774,1207 3.655,1208 7.42,1209 3.68,1210 3.705,1211 3.779,1212 3.571,1213 3.497,1214 4.753,1215 3.504,1216 3.412,1217 3.491,1218 3.268,1219 3.234,1220 4.335,1221 3.226,1222 3.306,1223 3.407,1224 3.086,1225 3.123,1226 4.135,1227 3.089,1228 3.214,1229 3.291,1230 3.04,1231 3.043,1232 3.924,1233 3.026,1234 3.166,1235 3.187,1236 3.011,1237 2.933,1238 3.892,1239 2.958,1240 2.854,1241 2.935,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.173,1247 0.162,1248 0.26,1249 0.165,1250 0.125,1251 4.146,1252 0.144,1253 3.887,1254 0.086,1255 6.252,1256 0.391,1257 3.952,1258 0.119,1259 2.993,1260 3.449,1261 2.058,1262 9.372,1263 2.863,1264 1.924,1265 1.893,1266 2.061,1267 2.049,1268 1.27,1269 2.047,1270 1.775,1271 1.718,1272 1.973,1273 1.979,1274 1.224,1275 1.985,1276 1.66,1277 1.588,1278 1.871,1279 1.892,1280 1.061,1281 1.894,1282 1.405,1283 1.33,1284 1.725,1285 1.624,1286 0.916,1287 1.649,1288 1.351,1289 1.256,1290 1.688,1291 1.584,1292 0.869,1293 1.638,1294 1.229,1295 1.154,1296 1.537,1297 1.446,1298 0.766,1299 1.482,1300 1.083,1301 1.045,1302 1.371,1303 1.342,1304 0.607,1305 1.341,1306 0.886,1307 0.821,1308 1.181,1309 1.09,1310 0.252,1311 1.107,1312 3.892,1314 5.153,1316 6.613,1318 8.161,1320 9.753,1322 4.218,1328 5.233,1333 5.641,1340 28.815,1341 71.997,1342 139.256,1343 193.099,1344 221.928,1345 228.683,1346 234.683,1347 52.615,1348 6.452,1349 43.86,1350 43.86,1351 12,1352 11.934,1353 3.17,1354 2.585,1355 45.45,1356 89,1357 78,1358 0.256,1359 182.384,1360 321.72,1361 436.777,1362 4778,1364 16.656,1365 0.724,1366 0.617,1367 16.656,1368 14.202,1369 11.135,1370 0.464,1371 0.352,1372 8.338,1373 10.684,1374 8.088,1375 6.73,1376 11.135,1377 8.455,1378 9.287,1379 0.3,1380 0.19,1381 9.287,1382 5.893,1383 7.729,1384 0.203,1385 0.117,1386 7.729,1387 4.451,1388 5.682,1389 0.132,1390 0.066,1391 5.682,1392 2.821,1393 4.339,1394 0.083,1395 0.034,1396 4.339,1397 1.751,1398 0.407,1399 69.724,1400 0.253,1401 23.043,1402 0.686,1403 110,1404 308.406,1405 121.339,1406 293.067,1407 387.89,1408 274,1409 124,1410 269.019,1411 136.007,1412 270.255,1413 390.37,1414 254,1415 4.699}
{0 CHEMBL193140,1 1.272,2 7.722,3 4.092,4 16.748,5 72.155,6 7.447,7 0.632,8 3.522,9 3.62,10 3.084,11 3.188,12 4.702,13 3.141,14 3.995,15 4.146,16 3.409,17 3.528,18 5.136,19 3.468,20 4.207,21 4.358,22 3.516,23 3.627,24 5.586,25 3.558,26 4.294,27 4.489,28 3.34,29 3.515,30 5.563,31 3.425,32 4.199,33 4.431,34 3.21,35 3.306,36 5.469,37 3.239,38 3.843,39 3.992,40 3.028,41 3.149,42 5.208,43 3.097,44 3.816,45 4.001,46 2.767,47 3.102,48 4.995,49 2.988,50 3.682,51 3.91,52 2.426,53 2.952,54 4.622,55 2.775,56 0.007,57 0.356,58 5.846,59 3.071,60 4.125,61 3.891,62 0.03,63 0.583,64 10.462,65 5.042,66 10.569,67 6.529,68 0.144,69 0.713,70 13.378,71 6.112,72 40.835,73 7.799,74 0.125,75 0.778,76 16.058,77 6.636,78 37.115,79 8.324,80 0.2,81 0.703,82 15.996,83 5.958,84 52.359,85 7.4,86 0.144,87 0.476,88 10.013,89 3.961,90 37.931,91 4.514,92 0.143,93 0.476,94 9.956,95 4.034,96 36.359,97 4.904,98 0.076,99 0.432,100 8.707,101 3.768,102 20.13,103 5.035,104 17,105 26,106 0.237,107 0.504,108 0.589,109 0.729,110 0.784,111 0.831,112 2.96,113 0.917,114 -4.63,115 -4.55,116 -4.28,121 50,122 2,144 8,145 4,159 2,176 14,180 2,187 16,191 1,192 6,200 12,206 8,214 6,219 7,227 8,232 4,239 11,244 1,251 11,264 8,277 4,281 360,282 11.828,283 11.828,284 11.828,285 11.828,286 11.828,287 10.128,288 5.03,289 6.951,290 11.781,291 9.303,292 9.303,293 9.303,294 9.303,295 9.303,296 6.75,297 2.669,298 3.268,299 9.19,300 3.728,301 2.297,302 1.844,303 1.094,304 0.797,305 0.547,306 3.609,310 1,311 1,312 1,313 287,314 2.828,318 124.207,325 1.198,326 20.102,328 1,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 38,338 139,339 4.416,340 3.838,341 6.536,342 4.093,343 3.063,344 4.012,346 10.074,347 3.152,348 4.133,349 3.043,350 5.952,351 3.753,352 2.746,353 3.709,355 8.278,356 2.762,357 3.732,358 2.863,359 5.6,360 3.347,361 2.336,362 3.16,364 7.132,365 2.36,366 3.197,367 2.161,368 4.545,369 2.737,370 1.717,371 2.453,373 4.334,374 1.747,375 2.821,376 1.875,377 4.042,378 2.414,379 1.414,380 1.95,382 3.521,383 1.414,384 2.722,385 1.63,386 3.654,387 2.236,388 1.212,389 1.768,391 2.849,392 1.237,393 2.5,394 1.323,395 3.247,396 2,397 1,398 1.5,400 2.136,401 1,402 2.242,403 1,404 3.149,405 1.604,406 0.504,407 0.801,409 1.159,410 0.548,411 1.358,412 0.458,413 2.407,414 1.06,415 0.036,416 0.046,418 0.078,419 0.037,420 0.751,421 -0.136,422 2.364,423 0.355,424 -0.656,425 -0.861,427 -1.608,428 -0.661,429 0.746,430 -0.412,431 1.934,432 0.28,433 -0.751,434 -1.099,436 -1.694,437 -0.771,438 0.5,439 -0.71,440 1.555,442 -1,443 -1.5,445 -2.347,446 -1,447 0.248,448 -1,449 1.493,450 -0.144,451 -1.198,452 -1.558,454 -3.037,455 -1.235,456 0.004,457 -1.077,458 1.281,459 -0.316,460 -1.38,461 -1.849,463 -3.59,464 -1.414,465 -0.172,466 -1.222,467 1.241,468 -0.414,469 -1.414,470 -2,472 -4.028,473 -1.501,474 8.667,475 0.481,476 0.494,477 0.027,478 25,479 1.389,480 15,481 0.833,482 10,483 0.556,484 11.113,485 0.617,486 18.333,487 0.573,488 16.947,489 0.941,490 5.182,491 0.288,492 3.41,493 0.189,494 0.192,496 0.346,501 0.471,502 0.939,503 0.765,504 0.938,505 0.531,506 0.898,507 0.553,508 0.933,509 0.738,510 0.925,511 0.589,512 0.867,513 0.682,514 1.175,515 0.933,516 1.166,517 0.677,518 1.096,519 1.298,520 1.185,521 1.094,522 1.168,523 1.28,524 1.114,525 1.692,526 0.747,527 0.869,528 0.72,529 1.669,530 0.691,531 2.066,532 0.97,533 1.268,534 0.959,535 2.043,536 1,537 1.645,538 0.967,539 1.373,540 0.989,541 1.627,542 1.12,543 0.778,544 1.112,545 1.264,546 1.146,547 0.777,548 1.25,549 3.5,550 0.012,551 2.667,552 1.375,553 1.084,554 0.528,555 0.243,556 0.174,557 0.103,558 0.046,559 2563,560 6731,561 1.963,562 43.8,563 6,564 8,572 1.588,573 1.8,574 2.989,575 -0.873,577 1,582 40.697,583 1.272,584 2.703,585 3.156,586 3.906,587 4.203,588 4.453,589 2.461,590 3.461,591 4.144,592 3.053,593 467.107,594 7.036,595 4369.64,597 1,599 1,600 160,601 1.53,602 4.076,603 0.184,604 0.012,605 0.103,606 0.051,607 0.052,608 0.028,609 0.015,610 0.014,611 0.013,612 0.011,613 0.483,614 0.83,615 1,616 0.714,617 75.89,619 0.03,620 0.019,621 0.03,622 -0.055,623 0.028,624 0.042,625 0.036,626 0.121,627 0.047,628 0.008,629 0.087,630 0.234,631 -0.212,632 -0.031,633 -0.209,634 0.242,635 -0.164,636 -0.061,637 -0.223,638 -0.1,639 -0.214,640 -0.042,641 -0.171,642 -0.108,643 0.23,644 0.223,645 0.244,646 -0.087,647 0.272,648 -0.315,649 0.001,650 -0.263,651 -0.019,652 -0.29,653 -0.116,654 -0.324,655 0.002,656 -0.39,657 -0.034,658 -0.304,659 -0.191,660 -0.129,661 -0.148,662 -0.321,663 -0.172,664 -0.128,665 -0.256,666 2.126,667 5.059,668 0.667,669 10.444,670 0.995,671 1.104,672 3.398,673 11.545,674 0.695,675 2.996,676 3.296,677 3.526,678 3.638,679 3.807,680 3.689,681 3.638,682 3.497,683 3.367,684 3.219,685 4.628,686 0.66,687 238.3,688 2.996,689 4.511,690 5.342,691 6.192,692 7.041,693 7.895,694 8.749,695 9.606,696 10.462,697 11.319,715 8,720 4,722 12,727 2,741 32,743 14,744 2,745 19,747 33,748 16,749 12,750 4,751 8,752 2,756 2,757 2,763 2,772 14,773 2,777 2,782 2,786 2,790 1,793 14,794 2,796 2,808 1,809 2,829 2,859 2,864 2,868 18,893 6.3,896 2,901 10,902 6.5,903 4.028,904 1.889,907 2.119,908 1.357,909 0.962,910 3.384,911 8.054,912 3.332,913 3.912,914 4.477,915 4.913,916 5.405,917 5.403,918 5.574,919 5.558,920 5.668,921 5.901,922 1,923 27,924 6.675,926 2.805,927 0.026,929 7.944,931 12.475,933 9.867,936 2.444,937 44,938 0.001,941 164.795,942 116.47,945 50.29,948 116.47,949 215.085,951 17.65,953 75.81,954 60.557,955 12.742,957 164.795,959 164.795,960 116.47,961 50.29,964 164.795,965 50.29,968 17.65,969 98.819,972 164.795,973 50.29,974 116.47,977 164.795,978 23.009,979 93.46,981 50.29,982 164.795,983 50.29,984 116.47,986 0.584,987 0.349,988 0.164,989 0.087,990 12,991 6,992 0.091,993 3,995 1,996 2.969,997 123.117,999 12,1000 71.059,1005 12.254,1006 4.971,1007 2.566,1009 50.29,1010 13.951,1015 3.008,1018 331.555,1019 27,1024 24.051,1028 -0.914,1031 31.84,1032 35.325,1034 0.254,1035 0.541,1036 0.631,1037 0.781,1038 0.841,1039 0.891,1040 4.533,1041 0.504,1042 5.333,1043 2.136,1044 3.97,1045 4.595,1047 6.12,1048 4,1049 5.751,1050 0.036,1051 6.897,1052 1.159,1053 3.611,1054 4.369,1056 7.008,1057 3.674,1058 7.055,1059 -0.656,1060 8.565,1061 0.078,1062 5.549,1063 6.769,1065 10.087,1066 5.612,1067 8.396,1068 -0.751,1069 10.291,1070 -1.608,1071 5.994,1072 7.327,1074 11.757,1075 6.103,1076 9.768,1077 -1,1078 12.052,1079 -1.694,1080 7.426,1081 9.205,1083 14.366,1084 7.535,1085 11.16,1086 -1.198,1087 13.837,1088 -2.347,1089 8.223,1090 10.127,1092 16.357,1093 8.379,1094 12.569,1095 -1.38,1096 15.637,1097 -3.037,1098 9.455,1099 11.771,1101 18.791,1102 9.619,1103 3.063,1104 -1.414,1105 17.45,1106 -3.59,1107 10.413,1108 12.884,1110 20.933,1111 10.619,1112 2.746,1113 10.074,1114 19.271,1115 -4.028,1116 11.564,1117 14.408,1119 23.294,1120 11.786,1121 2.336,1122 8.278,1123 21.099,1124 4.012,1125 12.596,1126 15.627,1128 25.513,1129 12.857,1130 1.717,1131 7.132,1132 22.933,1133 3.709,1134 13.716,1135 17.085,1137 27.842,1138 13.999,1139 1.414,1140 4.334,1141 24.771,1142 3.16,1143 14.784,1144 18.368,1146 30.102,1147 15.103,1148 1.212,1149 3.521,1150 26.614,1151 2.453,1152 15.892,1153 19.789,1155 32.418,1156 16.238,1157 1,1158 2.849,1159 28.46,1160 1.95,1161 16.98,1162 21.109,1164 34.7,1165 17.359,1166 2632,1167 4359,1168 12.137,1169 22.239,1170 28.789,1171 30.547,1172 29.659,1173 28.111,1174 28.057,1175 38.798,1177 79.122,1178 28.515,1179 5.237,1180 5.838,1181 6.338,1182 5.093,1183 5.063,1184 7.012,1186 17.232,1187 5.152,1188 9.672,1189 1.515,1190 1.608,1191 1.561,1192 1.48,1193 1.477,1194 2.042,1196 4.164,1197 1.501,1198 4,1199 4.018,1200 3.952,1201 3.939,1202 7.497,1203 3.938,1204 3.876,1205 3.904,1206 3.809,1207 3.822,1208 7.352,1209 3.816,1210 3.452,1211 3.461,1212 3.399,1213 3.295,1214 4.733,1215 3.316,1216 3.151,1217 3.245,1218 2.954,1219 2.994,1220 4.692,1221 2.97,1222 3.084,1223 3.142,1224 2.914,1225 2.927,1226 3.886,1227 2.919,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.837,1233 2.715,1234 2.755,1235 2.811,1236 2.598,1237 2.572,1238 3.674,1239 2.564,1240 2.578,1241 2.653,1242 2.356,1243 2.378,1244 3.577,1245 2.365,1246 0.232,1247 0.202,1248 0.344,1249 0.215,1250 0.161,1251 4.416,1252 0.211,1253 3.838,1255 6.536,1256 0.53,1257 4.093,1258 0.166,1259 3.063,1260 4.012,1262 10.074,1263 3.152,1264 1.969,1265 1.951,1266 2.073,1267 2.048,1268 1.205,1269 2.055,1270 1.885,1271 1.859,1272 2.008,1273 1.964,1274 1.074,1275 1.98,1276 1.381,1277 1.365,1278 1.57,1279 1.57,1280 0.637,1281 1.558,1282 1.191,1283 1.105,1284 1.563,1285 1.42,1286 0.624,1287 1.476,1288 1.073,1289 1.021,1290 1.285,1291 1.287,1292 0.295,1293 1.297,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 0.747,1301 0.683,1302 1.05,1303 0.957,1304 0.115,1305 0.986,1306 0.572,1307 0.504,1308 0.868,1309 0.823,1311 0.848,1312 3.664,1314 4.963,1316 6.469,1318 8.058,1320 9.685,1322 3.904,1340 21.117,1341 40.697,1342 86.49,1343 100.98,1344 124.98,1345 134.49,1346 142.49,1347 35.786,1348 5.935,1349 34.14,1350 34.14,1351 12,1352 11.871,1353 3.907,1354 3.17,1355 30.951,1356 49,1357 44,1358 0.317,1359 134.034,1360 235.3,1361 318.804,1362 2245,1364 13.121,1365 0.729,1366 0.58,1367 13.121,1368 10.435,1369 8.592,1370 0.452,1371 0.306,1372 5.779,1373 8.466,1374 5.521,1375 4.662,1376 8.592,1377 5.807,1378 7.644,1379 0.294,1380 0.166,1381 7.644,1382 4.323,1383 6.605,1384 0.2,1385 0.091,1386 6.605,1387 3.011,1388 4.585,1389 0.124,1390 0.047,1391 4.585,1392 1.734,1393 3.565,1394 0.081,1395 0.026,1396 3.565,1397 1.145,1398 0.481,1399 52.708,1400 0.287,1401 17.967,1402 0.91,1403 90,1404 265.471,1405 94.207,1406 261.733,1407 348.32,1408 242,1409 104,1410 244.273,1411 108.761,1412 253.437,1413 365.51,1414 237,1415 4}
{0 CHEMBL193180,1 1.669,2 8.636,3 4.353,4 18.949,5 63.371,6 12.238,7 0.522,8 3.439,9 3.482,10 3.35,11 3.013,12 5.065,13 3.107,14 3.898,15 3.953,16 3.784,17 3.321,18 5.665,19 3.457,20 4.226,21 4.315,22 4.031,23 3.34,24 6.485,25 3.529,26 4.097,27 4.202,28 3.788,29 3.115,30 6.176,31 3.322,32 3.905,33 3.974,34 3.644,35 2.94,36 6.162,37 3.157,38 3.726,39 3.775,40 3.597,41 2.875,42 6.191,43 3.054,44 3.65,45 3.778,46 3.392,47 2.779,48 5.735,49 2.933,50 3.616,51 3.769,52 3.234,53 2.426,54 5.535,55 2.72,56 0.599,57 0.882,58 0.152,59 2.516,60 121.738,61 1.363,62 1.022,63 1.398,64 0.3,65 3.992,66 206.97,67 2.162,68 1.841,69 1.95,70 3.853,71 5.427,72 360.833,73 2.864,74 1.598,75 1.384,76 5.958,77 4.705,78 322.502,79 2.79,80 1.288,81 0.861,82 4.156,83 3.596,84 277.763,85 1.651,86 1.025,87 0.831,88 1.279,89 3.048,90 215.078,91 1.635,92 0.961,93 0.97,94 4.1,95 3.216,96 186.882,97 2.673,98 1.108,99 1.024,100 4.411,101 3.104,102 213.732,103 1.562,104 65,105 34,106 0.325,107 0.519,108 0.56,109 0.601,110 0.601,111 0.601,112 3.147,113 0.731,114 -5.41,115 -5.29,116 -4.94,121 53.8,144 4,145 2,146 6,159 2,176 4,180 2,187 2,191 1,192 6,200 1,206 4,214 4,227 4,281 592,282 13.776,283 13.776,284 13.776,285 13.776,286 13.776,287 11.892,288 7.304,289 7.596,290 14.023,291 11.185,292 11.185,293 11.185,294 11.185,295 11.185,296 8.319,297 3.125,298 3.532,299 11.726,300 3.031,301 2.039,302 1.827,303 1.615,304 1.615,305 1.615,306 3.792,311 1,312 1,313 386,314 3.162,318 156.579,325 1.306,326 77.937,329 0.75,330 1,331 1,332 0.4,334 1,335 1,336 0.74,337 55,338 190,339 4.501,340 3.848,341 6.586,342 4.141,343 3.139,344 4.169,346 10.286,347 3.167,348 4.366,349 3.479,350 6.331,351 3.922,352 2.981,353 4.066,355 9.389,356 2.796,357 4.094,358 3.439,359 6.207,360 3.703,361 2.743,362 3.53,364 8.813,365 2.576,366 3.575,367 2.934,368 5.607,369 3.191,370 2.206,371 2.914,373 7.115,374 2.146,375 3.232,376 2.592,377 4.879,378 2.787,379 1.879,380 2.481,382 5.225,383 1.678,384 3.232,385 2.592,386 4.879,387 2.787,388 1.879,389 2.481,391 5.225,392 1.678,393 2.91,394 2.03,395 4.548,396 2.426,397 1.414,398 2.019,400 4.135,401 1.414,402 2.3,403 2.003,404 3.557,405 1.685,406 0.671,407 0.941,409 1.645,410 0.647,411 1.548,412 1.58,413 2.98,414 1.175,415 0.367,416 0.408,418 0.824,419 0.285,420 1.534,421 1.579,422 2.653,423 1.104,424 0.198,425 0.259,427 0.427,428 0.174,429 1,430 0.159,431 2.653,432 0.557,433 -0.347,434 -0.445,436 -0.898,437 -0.303,438 1,439 0.159,440 2.562,441 0.557,442 -0.347,443 -0.445,445 -0.898,446 -0.303,447 0.393,448 -0.059,449 2,450 -0.034,451 -1,452 -1.207,454 -2.467,455 -0.869,456 0.277,457 -0.242,458 1.536,459 -0.065,460 -1,461 -1.26,463 -2.491,464 -0.88,465 0.031,466 -0.411,467 1.468,468 -0.337,469 -1.298,470 -1.581,472 -3.282,473 -1.127,474 9.381,475 0.426,476 0.868,477 0.039,478 28.5,479 1.295,480 15,481 0.682,482 13.5,483 0.614,484 14.252,485 0.648,486 24.819,487 0.955,488 25.712,489 1.169,490 6.367,491 0.289,492 3.851,493 0.175,494 0.254,496 0.533,499 6,501 0.626,502 0.752,503 0.464,504 0.855,505 0.656,506 0.767,507 0.804,508 0.967,509 0.596,510 1.1,511 0.812,512 0.986,513 0.898,514 0.884,515 0.983,516 1.042,517 0.895,518 1.131,519 1.102,520 0.854,521 1.218,522 0.991,523 1.149,524 1.07,525 1.092,526 0.818,527 1.263,528 0.769,529 1.166,530 0.854,531 0.568,532 0.899,533 0.651,534 0.963,535 0.571,536 1.109,537 0.764,538 1.1,539 0.713,540 1.138,541 0.684,542 1.176,543 1.889,544 1.653,545 2.023,546 1.198,547 1.795,548 1.163,549 6,550 0.041,551 4,552 2.25,553 1.849,554 0.806,555 0.568,556 0.299,557 0.279,558 0.183,559 4171,560 26503,561 1.869,562 15.4,564 4,572 1.647,573 1.65,574 3.105,575 -0.627,582 43.399,583 1.669,584 2.661,585 2.873,586 3.085,587 3.085,588 3.085,589 2.482,590 2.914,591 4.436,592 3.22,593 743.806,594 7.628,595 8047.34,597 1,599 1,600 122.211,601 1.495,602 4.316,603 0.261,604 0.007,605 0.118,606 0.059,607 0.062,608 0.031,609 0.024,610 0.015,611 0.017,612 0.014,613 0.607,614 0.67,615 1,616 0.733,617 100.026,618 0.013,619 0.023,621 0.031,622 -0.011,623 0.024,624 -0.084,625 -0.149,627 -0.202,628 -0.085,629 -0.156,630 0.042,631 0.067,632 -0.059,633 -0.089,634 0.042,635 -0.189,636 -0.191,637 -0.046,638 -0.087,639 -0.059,640 -0.209,641 0.046,642 -0.17,643 -0.021,644 -0.317,645 0.148,646 -0.183,647 0.079,648 0.33,649 -0.043,650 0.164,651 -0.045,652 0.346,653 -0.255,654 0.115,655 -0.271,656 0.564,657 -0.182,658 0.177,659 0.121,660 -0.699,661 -0.427,662 -0.708,663 -0.139,664 -0.656,665 -0.025,666 3.511,667 4.999,668 0.545,669 14.612,670 1.121,671 1.174,672 4.177,673 17.447,674 0.705,675 3.178,676 3.555,677 3.807,678 3.932,679 4.111,680 4.143,681 4.043,682 3.892,683 3.892,684 3.892,685 5.211,686 0.783,687 318.18,688 3.178,689 4.745,690 5.602,691 6.485,692 7.357,693 8.24,694 9.115,695 9.999,696 10.876,697 11.76,715 4,720 8,722 12,727 2,740 6,741 26,743 14,744 2,745 23,747 27,748 14,749 12,750 8,751 4,752 2,756 2,757 2,772 14,777 2,782 2,786 2,790 1,791 6,793 4,794 8,796 8,808 1,809 2,829 2,859 2,866 6,868 22,892 6,893 7.7,896 2,901 13.333,902 5.024,903 4.778,904 1.402,907 2.163,908 1.339,909 0.977,910 4.055,911 8.546,912 3.466,913 4.127,914 4.705,915 5.16,916 5.67,917 5.854,918 5.92,919 5.873,920 6.067,921 6.411,922 0.833,923 38,924 8.582,926 4.389,927 0.026,929 9.439,931 13.452,933 10.81,936 3.939,937 86.667,941 47.084,942 109.269,945 50.29,946 89.761,948 109.269,949 97.374,950 89.761,953 37.905,954 60.557,955 61.097,956 89.761,957 47.084,959 47.084,960 109.269,961 140.051,964 136.845,965 50.29,969 109.269,972 136.845,973 50.29,974 109.269,977 47.084,978 71.364,979 37.905,981 140.051,982 47.084,983 140.051,984 109.269,986 0.61,987 0.372,988 0.166,989 0.086,990 16,991 10,992 0.111,993 3,995 1,996 3.162,997 168.942,999 12,1000 64.107,1005 15.785,1006 5.652,1007 2.898,1009 140.051,1010 1.035,1015 -12.26,1018 296.404,1019 31,1024 23.449,1028 -3.077,1031 29.149,1032 30.533,1034 0.355,1035 0.566,1036 0.611,1037 0.656,1038 0.656,1039 0.656,1040 4.727,1041 0.671,1042 5.652,1043 4.135,1044 4.234,1045 4.812,1047 6.506,1048 4.149,1049 5.998,1050 0.367,1051 7.27,1052 1.645,1053 4.111,1054 4.89,1056 7.483,1057 3.963,1058 7.346,1059 0.198,1060 8.981,1061 0.824,1062 5.9,1063 7.078,1065 10.567,1066 5.769,1067 8.727,1068 -0.347,1069 10.737,1070 0.427,1071 6.494,1072 7.864,1074 12.245,1075 6.312,1076 10.131,1077 -0.347,1078 12.521,1079 -0.898,1080 7.845,1081 9.607,1083 14.884,1084 7.683,1085 11.551,1086 -1,1087 14.322,1088 -0.898,1089 8.735,1090 10.705,1092 16.87,1093 8.542,1094 12.985,1095 -1,1096 16.135,1097 -2.467,1098 9.936,1099 12.274,1101 19.329,1102 9.755,1103 3.139,1104 -1.298,1105 17.957,1106 -2.491,1107 10.952,1108 13.523,1110 21.467,1111 10.758,1112 2.981,1113 10.286,1114 19.787,1115 -3.282,1116 12.098,1117 15.014,1119 23.843,1120 11.913,1121 2.743,1122 9.389,1123 21.623,1124 4.169,1125 13.17,1126 16.34,1128 26.059,1129 12.983,1130 2.206,1131 8.813,1132 23.464,1133 4.066,1134 14.297,1135 17.792,1137 28.397,1138 14.118,1139 1.879,1140 7.115,1141 25.308,1142 3.53,1143 15.394,1144 19.158,1146 30.656,1147 15.221,1148 1.879,1149 5.225,1150 27.156,1151 2.914,1152 16.515,1153 20.592,1155 32.977,1156 16.352,1157 1.414,1158 5.225,1159 29.007,1160 2.481,1161 17.626,1162 21.98,1164 35.26,1165 17.472,1166 4341,1167 11022,1168 13.759,1169 18.341,1170 35.627,1171 40.1,1172 37.933,1173 35.055,1174 34.955,1175 46.535,1177 106.167,1178 33.123,1179 5.331,1180 5.848,1181 5.586,1182 5.141,1183 5.139,1184 7.169,1186 17.514,1187 5.167,1188 15.986,1189 1.549,1190 1.743,1191 1.649,1192 1.524,1193 1.52,1194 2.023,1196 4.616,1197 1.44,1198 4.001,1199 4.012,1200 3.989,1201 3.905,1202 8.264,1203 3.921,1204 3.889,1205 3.908,1206 3.879,1207 3.792,1208 8.255,1209 3.806,1210 3.431,1211 3.418,1212 3.444,1213 3.217,1214 8.191,1215 3.27,1216 2.942,1217 2.985,1218 2.937,1219 2.747,1220 8.191,1221 2.784,1222 2.937,1223 2.985,1224 2.913,1225 2.73,1226 8.149,1227 2.753,1228 2.937,1229 2.96,1230 2.913,1231 2.73,1232 8.148,1233 2.753,1234 2.613,1235 2.645,1236 2.572,1237 2.346,1238 7.496,1239 2.39,1240 2.282,1241 2.249,1242 2.266,1243 1.773,1244 7.352,1245 1.896,1246 0.196,1247 0.167,1248 0.286,1249 0.18,1250 0.136,1251 4.501,1252 0.181,1253 3.848,1255 6.586,1256 0.447,1257 4.141,1258 0.138,1259 3.139,1260 4.169,1262 10.286,1263 3.167,1264 1.922,1265 1.913,1266 1.968,1267 2.033,1268 1.072,1269 2.009,1270 1.832,1271 1.816,1272 1.885,1273 1.947,1274 0.993,1275 1.924,1276 1.26,1277 1.272,1278 1.254,1279 1.5,1280 0.2,1281 1.417,1282 0.832,1283 0.787,1284 1.035,1285 1.074,1286 0.072,1287 1.047,1288 0.832,1289 0.787,1290 1.035,1291 1.074,1292 0.072,1293 1.047,1294 0.8,1295 0.786,1296 0.852,1297 1.035,1299 0.971,1300 0.457,1301 0.43,1302 0.635,1303 0.773,1305 0.723,1308 0.126,1309 0.471,1311 0.339,1312 3.85,1314 5.209,1316 6.76,1318 8.395,1320 10.069,1324 77.52,1340 20.363,1341 43.399,1342 69.192,1343 74.702,1344 80.211,1345 80.211,1346 80.211,1347 104.922,1348 6.384,1349 34.14,1350 34.14,1351 12,1352 12.294,1353 3.907,1354 3.17,1355 42.154,1356 69,1357 58,1358 0.31,1359 122.039,1360 237.12,1361 289.535,1362 3903,1363 23.1,1364 16.602,1365 0.755,1366 0.472,1367 11.38,1368 10.394,1369 10.218,1370 0.444,1371 0.244,1372 5.422,1373 9.443,1374 5.426,1375 4.391,1376 7.788,1377 5.602,1378 9.809,1379 0.288,1380 0.123,1381 6.514,1382 4.166,1383 8.605,1384 0.196,1385 0.061,1386 5.616,1387 2.698,1388 5.8,1389 0.116,1390 0.033,1391 4.179,1392 1.635,1393 4.319,1394 0.072,1395 0.017,1396 3.131,1397 1.002,1398 0.473,1399 67.66,1400 0.27,1401 21.321,1402 0.886,1403 114,1404 814.138,1405 141.192,1406 617.089,1407 753.7,1408 562,1409 135,1410 487.273,1411 163.233,1412 453.823,1413 670.4,1414 424,1415 4}
{0 CHEMBL193228,1 1.573,2 8.333,3 4.617,4 21.315,5 77.318,6 14.155,7 0.632,8 3.351,9 3.407,10 3.486,11 3.154,12 4.61,13 3.096,14 3.786,15 3.858,16 3.957,17 3.522,18 5.079,19 3.441,20 4.047,21 4.158,22 4.031,23 3.603,24 5.535,25 3.492,26 3.951,27 4.075,28 3.664,29 3.336,30 5.424,31 3.254,32 3.747,33 3.861,34 3.523,35 3.1,36 5.287,37 3.08,38 3.567,39 3.648,40 3.832,41 3.101,42 5.077,43 3.033,44 3.499,45 3.658,46 3.723,47 3.031,48 4.736,49 2.885,50 3.335,51 3.565,52 3.487,53 2.871,54 4.205,55 2.63,56 0.038,57 0.215,58 4.052,59 1.54,60 5.547,61 1.953,62 0.071,63 0.346,64 7.721,65 2.708,66 12.276,67 3.29,68 0.254,69 0.482,70 37.242,71 5.591,72 43.099,73 5.721,74 0.255,75 0.467,76 35.05,77 5.452,78 35.419,79 4.913,80 0.278,81 0.408,82 10.139,83 3.74,84 55.559,85 3.031,86 0.231,87 0.292,88 7.029,89 3.024,90 34.634,91 2.339,92 0.152,93 0.298,94 11.811,95 3.275,96 12.939,97 3.593,98 0.083,99 0.287,100 15.966,101 3.272,102 11.342,103 4.14,104 17,105 26,106 0.307,107 0.481,108 0.541,109 0.601,110 0.601,111 0.601,112 2.96,113 1.068,114 -5.41,115 -5.29,116 -4.94,119 2,121 53.8,144 8,145 2,146 2,159 2,176 8,180 2,187 12,191 1,192 6,200 9,206 8,214 6,219 4,227 8,232 2,239 8,244 2,251 6,264 4,277 4,281 360,282 11.776,283 11.776,284 11.776,285 11.776,286 11.776,287 10.103,288 5.035,289 6.868,290 12.056,291 9.301,292 9.301,293 9.301,294 9.301,295 9.301,296 6.769,297 1.941,298 3.247,299 9.856,300 3.127,301 2.231,302 1.923,303 1.615,304 1.615,305 1.615,306 3.609,311 1,312 1,313 310,314 2.828,318 125.198,325 1.259,326 21.991,329 0.75,330 1,331 1,332 0.4,334 1,335 1,336 0.74,337 37.5,338 150,339 4.394,340 3.837,341 6.527,342 4.076,343 3.045,344 3.947,346 10.029,347 3.136,348 4.024,349 3.022,350 5.723,351 3.577,352 2.607,353 3.639,355 7.669,356 2.536,357 3.743,358 2.872,359 5.078,360 3.235,361 2.338,362 3.182,364 6.147,365 2.033,366 3.451,367 2.816,368 4.967,369 2.979,370 2.083,371 2.759,373 5.807,374 1.734,375 2.905,376 1.969,377 4.414,378 2.395,379 1.414,380 2.012,382 3.932,383 1.291,384 2.5,385 1.937,386 3.414,387 2,388 1,389 1.5,391 2.275,392 1,393 2.5,394 1,395 3.414,396 2,397 1,398 1.5,400 2.275,401 1,402 2.293,403 1,404 3.27,405 1.637,406 0.565,407 0.884,409 1.3,410 0.559,411 1.115,412 0.449,413 2.321,414 0.593,415 -0.24,416 -0.302,418 -0.516,419 -0.134,420 1.114,421 0.414,422 2,423 0.57,424 -0.309,425 -0.423,427 -0.648,428 -0.184,429 0.5,430 -0.259,431 2,433 -1,434 -1.5,436 -2.902,437 -0.911,438 0.5,439 -0.767,440 1.795,442 -1,443 -1.5,445 -2.982,446 -0.923,447 0.263,448 -1,449 1.586,450 -0.202,451 -1.209,452 -1.539,454 -3,455 -1,456 0.009,457 -1,458 1.396,459 -0.461,460 -1.233,461 -1.577,463 -3,464 -1,465 -0.098,466 -1.063,467 1.224,468 -0.64,469 -1.414,470 -2,472 -3.564,473 -1.491,474 10.333,475 0.574,476 0.511,477 0.028,478 25,479 1.389,480 15,481 0.833,482 10,483 0.556,484 13.11,485 0.728,486 16.667,487 0.641,488 14.664,489 0.815,490 4.688,491 0.26,492 3.888,493 0.216,494 0.323,496 0.29,501 0.48,502 0.794,503 0.468,504 0.558,505 0.528,506 0.648,507 0.618,508 1.021,509 0.602,510 0.717,511 0.643,512 0.833,513 0.831,514 1.122,515 1.051,516 1.114,517 0.72,518 1.101,519 1.599,520 1.17,521 0.956,522 1.121,523 1.618,524 1.133,525 2.183,526 0.791,527 0.393,528 0.5,529 2.486,530 0.653,531 1.293,532 1.013,533 0.765,534 0.95,535 1.63,536 0.973,537 0.218,538 1.143,539 0.747,540 1.041,541 0.359,542 1.113,543 0.243,544 0.923,545 0.879,546 0.767,547 0.093,548 0.916,549 4,550 0.041,551 2.667,552 1.25,553 1.084,554 0.583,555 0.242,556 0.174,557 0.131,558 0.04,559 2639,560 11475,561 1.963,562 30.8,564 8,572 1.586,573 1.8,574 3.069,575 -0.763,582 40.908,583 1.573,584 2.47,585 2.777,586 3.085,587 3.085,588 3.085,589 2.503,590 2.725,591 4.141,592 3.132,593 479.12,594 7.023,595 4487.56,597 1,600 122.211,601 1.53,602 4.076,603 0.211,604 0.021,605 0.103,606 0.048,607 0.054,608 0.032,609 0.015,610 0.014,611 0.016,612 0.008,613 0.522,614 0.67,615 1,616 0.714,617 76.371,618 0.001,619 0.027,621 0.008,622 -0.053,623 0.015,624 -0.009,625 -0.17,626 -0.003,627 -0.049,628 -0.036,629 -0.095,630 0.1,631 -0.177,632 -0.13,633 -0.188,634 0.217,635 -0.168,636 -0.273,637 -0.144,638 -0.144,639 -0.181,640 -0.162,641 -0.178,642 -0.462,643 0.31,644 0.031,645 0.298,646 -0.449,647 0.21,648 0.002,649 -0.051,650 0.019,651 -0.094,652 -0.218,653 -0.148,654 0.394,655 -0.164,656 0.092,657 -0.117,658 0.161,659 -0.055,660 0.187,661 0.138,662 0.108,663 0.33,664 0.171,665 0.381,666 2.162,667 4.965,668 0.667,669 11.556,670 1.02,671 1.084,672 4.177,673 17.447,674 0.824,675 2.996,676 3.296,677 3.497,678 3.611,679 3.807,680 3.714,681 3.611,682 3.497,683 3.367,684 3.219,685 4.803,686 0.774,687 368.02,688 2.996,689 4.511,690 5.333,691 6.18,692 7.02,693 7.871,694 8.717,695 9.569,696 10.417,697 11.27,715 8,720 4,722 12,727 2,740 2,741 26,743 14,744 2,745 19,746 2,747 27,748 14,749 12,750 4,751 8,752 2,756 2,757 2,772 14,777 2,782 2,786 2,790 1,793 8,794 2,796 4,797 2,808 1,809 2,829 2,859 2,863 2,868 18,892 2,893 7.7,896 2,901 10,902 4.786,903 4,904 1.453,907 2.117,908 1.356,909 0.986,910 4.101,911 8.057,912 3.332,913 3.912,914 4.46,915 4.896,916 5.405,917 5.44,918 5.538,919 5.538,920 5.668,921 5.901,922 0.833,923 26,924 6.649,926 2.812,927 0.026,929 8.028,931 12.266,933 9.702,936 2.528,937 45.5,938 0.001,941 94.169,942 98.558,943 91.908,945 50.29,948 190.466,949 144.459,953 75.81,954 60.557,955 12.481,957 94.169,958 91.908,959 94.169,960 98.558,961 50.29,963 91.908,964 94.169,965 50.29,969 98.558,971 91.908,972 94.169,973 50.29,974 190.466,977 94.169,978 22.748,979 75.81,980 91.908,981 50.29,982 94.169,983 50.29,984 190.466,986 0.586,987 0.337,988 0.157,989 0.089,990 12,991 6,992 0.111,993 3,995 1,996 2.996,997 121.917,999 12,1000 49.059,1005 13.191,1006 5.596,1007 3.165,1009 50.29,1010 13.465,1015 2.53,1018 334.925,1019 27,1024 23.93,1028 -0.991,1031 26.531,1032 28.178,1034 0.335,1035 0.525,1036 0.591,1037 0.656,1038 0.656,1039 0.656,1040 4.533,1041 0.565,1042 5.323,1043 2.275,1044 3.97,1045 4.595,1047 6.089,1048 3.892,1049 5.751,1050 -0.24,1051 6.872,1052 1.3,1053 3.611,1054 4.369,1056 6.94,1057 3.434,1058 7.052,1059 -0.309,1060 8.52,1061 -0.516,1062 5.533,1063 6.759,1065 9.987,1066 5.45,1067 8.386,1068 -1,1069 10.223,1070 -0.648,1071 5.943,1072 7.282,1074 11.633,1075 5.855,1076 9.748,1077 -1,1078 11.962,1079 -2.902,1080 7.371,1081 9.162,1083 14.231,1084 7.34,1085 11.129,1086 -1.209,1087 13.727,1088 -2.982,1089 8.128,1090 10.035,1092 16.219,1093 8.143,1094 12.525,1095 -1.233,1096 15.512,1097 -3,1098 9.359,1099 11.685,1101 18.652,1102 9.413,1103 3.045,1104 -1.414,1105 17.312,1106 -3,1107 10.287,1108 12.748,1110 20.802,1111 10.4,1112 2.607,1113 10.029,1114 19.124,1115 -3.564,1116 11.435,1117 14.276,1119 23.166,1120 11.584,1121 2.338,1122 7.669,1123 20.946,1124 3.947,1125 12.449,1126 15.452,1128 25.393,1129 12.654,1130 2.083,1131 6.147,1132 22.777,1133 3.639,1134 13.565,1135 16.909,1137 27.726,1138 13.807,1139 1.414,1140 5.807,1141 24.615,1142 3.182,1143 14.624,1144 18.155,1146 29.991,1147 14.915,1148 1,1149 3.932,1150 26.458,1151 2.759,1152 15.729,1153 19.571,1155 32.309,1156 16.057,1157 1,1158 2.275,1159 28.307,1160 2.012,1161 16.811,1162 20.861,1164 34.594,1165 17.182,1166 2705,1167 5710,1168 12.137,1169 21.421,1170 28.882,1171 30.462,1172 29.824,1173 28.64,1174 28.104,1175 38.844,1177 78.867,1178 26.577,1179 5.215,1180 5.837,1181 5.942,1182 5.076,1183 5.045,1184 6.947,1186 17.155,1187 5.136,1188 9.899,1189 1.52,1190 1.603,1191 1.57,1192 1.507,1193 1.479,1194 2.044,1196 4.151,1197 1.399,1198 3.979,1199 3.99,1200 6.882,1201 3.932,1202 7.497,1203 3.922,1204 3.855,1205 3.875,1206 6.879,1207 3.832,1208 7.352,1209 3.809,1210 3.4,1211 3.383,1212 3.883,1213 3.285,1214 4.733,1215 3.284,1216 2.895,1217 2.925,1218 3.694,1219 2.899,1220 4.7,1221 2.832,1222 2.854,1223 2.925,1224 3.251,1225 2.735,1226 3.74,1227 2.715,1228 2.854,1229 2.896,1230 2.687,1231 2.735,1232 3.675,1233 2.715,1234 2.57,1235 2.583,1236 2.687,1237 2.515,1238 3.674,1239 2.454,1240 2.264,1241 2.22,1242 2.649,1243 1.934,1244 3.674,1245 1.938,1246 0.231,1247 0.202,1248 0.344,1249 0.215,1250 0.16,1251 4.394,1252 0.208,1253 3.837,1255 6.527,1256 0.528,1257 4.076,1258 0.165,1259 3.045,1260 3.947,1262 10.029,1263 3.136,1264 1.939,1265 1.927,1266 2.003,1267 2.013,1268 1.115,1269 2.017,1270 1.857,1271 1.837,1272 1.932,1273 1.914,1274 1.053,1275 1.934,1276 1.286,1277 1.297,1278 1.297,1279 1.461,1280 0.344,1281 1.42,1282 0.886,1283 0.831,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.839,1295 0.821,1296 0.91,1297 0.942,1298 0.098,1299 0.955,1300 0.484,1301 0.471,1302 0.663,1303 0.67,1305 0.696,1308 0.381,1309 0.433,1311 0.328,1312 3.664,1314 4.963,1316 6.46,1318 8.035,1320 9.647,1321 6.566,1340 20.114,1341 40.908,1342 64.211,1343 72.211,1344 80.211,1345 80.211,1346 80.211,1347 36.125,1348 5.94,1349 34.14,1350 34.14,1351 12,1352 11.827,1353 3.907,1354 3.17,1355 31.033,1356 51,1357 50,1358 0.306,1359 138.677,1360 239.26,1361 330.133,1362 2279,1363 7.7,1364 13.121,1365 0.729,1366 0.687,1367 15.121,1368 12.363,1369 8.575,1370 0.451,1371 0.356,1372 5.248,1373 7.303,1374 5.024,1375 4.144,1376 9.73,1377 6.765,1378 7.758,1379 0.298,1380 0.212,1381 9.391,1382 5.503,1383 6.438,1384 0.201,1385 0.109,1386 7.592,1387 3.476,1388 4.482,1389 0.124,1390 0.055,1391 5.149,1392 1.993,1393 3.565,1394 0.081,1395 0.035,1396 4.421,1397 1.521,1398 0.469,1399 69.35,1400 0.287,1401 18.097,1402 0.865,1403 90,1404 302.78,1405 225.949,1406 368.464,1407 465.46,1408 338,1409 103,1410 270.739,1411 164.289,1412 302.414,1413 437.92,1414 284,1415 4}
{0 CHEMBL193229,1 1.669,2 7.4,3 3.942,4 15.539,5 62.938,6 10.854,7 0.571,8 3.405,9 3.461,10 3.239,11 3.019,12 4.927,13 3.073,14 3.855,15 3.926,16 3.637,17 3.33,18 5.542,19 3.408,20 4.149,21 4.268,22 3.71,23 3.351,24 5.935,25 3.452,26 4.047,27 4.167,28 3.705,29 3.125,30 6.066,31 3.278,32 3.884,33 3.961,34 3.562,35 2.946,36 6.124,37 3.124,38 3.666,39 3.74,40 3.384,41 2.886,42 5.922,43 2.99,44 3.586,45 3.743,46 3.125,47 2.79,48 5.251,49 2.86,50 3.559,51 3.737,52 2.965,53 2.448,54 5.303,55 2.613,56 0.331,57 0.637,58 0.956,59 2.435,60 68.778,61 1.759,62 0.581,63 1.011,64 1.801,65 3.862,66 115.686,67 2.79,68 1.124,69 1.191,70 6.802,71 5.24,72 229.082,73 3.532,74 1.118,75 1.208,76 8.09,77 4.592,78 228.619,79 3.643,80 1.09,81 0.771,82 5.866,83 3.566,84 236.273,85 1.797,86 0.778,87 0.667,88 3.09,89 2.967,90 164.249,91 1.994,92 0.558,93 0.758,94 4.775,95 3.138,96 107.119,97 2.903,98 0.779,99 0.821,100 5.638,101 3.042,102 152.441,103 1.839,104 37,105 30,106 0.325,107 0.519,108 0.56,109 0.601,110 0.601,111 0.601,112 3.058,113 0.768,114 -5.16,115 -5.06,116 -4.73,121 53.8,144 6,145 2,146 4,159 2,176 4,180 2,187 6,191 1,192 6,200 3,206 4,214 4,219 2,227 4,232 2,239 2,251 4,277 1,281 464,282 12.671,283 12.671,284 12.671,285 12.671,286 12.671,287 10.948,288 8.258,289 7.299,290 12.873,291 10.335,292 10.335,293 10.335,294 10.335,295 10.335,296 7.614,297 4.563,298 3.492,299 10.693,300 3.031,301 2.039,302 1.827,303 1.615,304 1.615,305 1.615,306 3.705,311 1,312 1,313 302,314 3,318 138.906,325 1.2,326 58.649,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 48,338 148,339 4.438,340 3.843,341 6.549,342 4.106,343 3.084,344 4.039,346 10.154,347 3.155,348 4.169,349 3.166,350 5.864,351 3.732,352 2.763,353 3.827,355 8.279,356 2.675,357 3.845,358 3.056,359 5.369,360 3.416,361 2.452,362 3.272,364 6.91,365 2.333,366 3.376,367 2.846,368 5.07,369 2.978,370 2,371 2.651,373 5.892,374 1.932,375 3.232,376 2.592,377 4.618,378 2.787,379 1.879,380 2.481,382 4.963,383 1.678,384 3.232,385 2.592,386 4.618,387 2.787,388 1.879,389 2.481,391 4.963,392 1.678,393 2.766,394 1.788,395 4.32,396 2.276,397 1.257,398 1.819,400 3.629,401 1.269,402 2.224,403 1.773,404 3.282,405 1.554,406 0.437,407 0.728,409 1.052,410 0.482,411 1,412 0.247,413 2.522,414 0.557,415 -0.347,416 -0.445,418 -0.891,419 -0.303,420 1,421 0.244,422 2.382,423 0.557,424 -0.347,425 -0.445,427 -0.891,428 -0.303,429 0.9,430 0.159,431 2.382,432 0.45,433 -0.471,434 -0.589,436 -1.182,437 -0.405,438 0.899,439 0.159,440 2.149,441 0.445,442 -0.483,443 -0.606,445 -1.191,446 -0.414,447 0.349,448 -0.127,449 1.829,450 -0.061,451 -1,452 -1.248,454 -2.55,455 -0.919,456 0.233,457 -0.577,458 1.472,459 -0.095,460 -1,461 -1.327,463 -2.606,464 -0.934,465 0.031,466 -0.967,467 1.258,468 -0.338,469 -1.378,470 -2,472 -3.744,473 -1.375,474 8.81,475 0.44,476 0.723,477 0.036,478 27,479 1.35,480 15,481 0.75,482 12,483 0.6,484 11.769,485 0.588,486 21.79,487 0.838,488 22.043,489 1.102,490 5.9,491 0.295,492 3.464,493 0.173,494 0.205,496 0.454,499 4,501 0.553,502 0.735,503 0.48,504 0.856,505 0.59,506 0.775,507 0.712,508 0.945,509 0.618,510 1.1,511 0.688,512 0.996,513 1.161,514 1.016,515 1.263,516 1.05,517 1.162,518 1.122,519 0.921,520 0.85,521 0.745,522 1.008,523 0.986,524 0.878,525 1.186,526 0.892,527 1.163,528 0.775,529 1.253,530 0.796,531 0.632,532 0.872,533 0.818,534 0.968,535 0.657,536 1.087,537 0.873,538 1.135,539 0.872,540 1.149,541 0.808,542 1.14,543 1.903,544 1.681,545 1.919,546 1.183,547 1.828,548 1.243,549 6,551 2.222,552 2.125,553 1.467,554 0.583,555 0.408,556 0.174,557 0.215,558 0.063,559 3265,560 17421,561 1.911,562 23.1,564 6,572 1.621,573 1.714,574 2.945,575 -0.689,582 43.399,583 1.669,584 2.661,585 2.873,586 3.085,587 3.085,588 3.085,589 2.246,590 2.722,591 4.298,592 3.079,593 584.988,594 7.357,595 5973.59,597 1,599 1,600 122.211,601 1.571,602 4.201,603 0.286,605 0.074,606 0.071,607 0.052,608 0.024,609 0.02,610 0.011,611 0.018,612 0.007,613 0.563,614 0.83,615 1,616 0.737,617 87.605,618 0.007,619 0.022,620 0.001,621 0.031,622 -0.027,623 0.025,624 -0.047,625 -0.14,626 -0.009,627 -0.202,628 -0.017,629 -0.16,630 -0.238,631 -0.072,632 -0.349,633 -0.098,634 -0.238,635 -0.179,636 0.021,637 -0.033,638 0.315,639 -0.068,640 -0.001,641 0.151,642 -0.067,643 0.058,644 -0.251,645 0.166,646 -0.066,647 0.006,648 0.29,649 -0.015,650 0.014,651 -0.047,652 0.296,653 -0.233,654 -0.061,655 -0.304,656 0.229,657 -0.186,658 -0.014,659 0.023,660 -0.568,661 -0.254,662 -0.659,663 -0.109,664 -0.587,665 -0.204,666 2.923,667 4.959,668 0.6,669 12.4,670 1.082,671 1.148,672 3.934,673 15.475,674 0.71,675 3.091,676 3.434,677 3.611,678 3.85,679 3.97,680 3.932,681 3.807,682 3.714,683 3.714,684 3.497,685 4.845,686 0.754,687 282.2,688 3.091,689 4.635,690 5.46,691 6.34,692 7.182,693 8.063,694 8.911,695 9.791,696 10.643,697 11.522,715 6,720 6,722 12,727 2,740 4,741 26,743 14,744 2,745 21,747 27,748 14,749 12,750 6,751 6,752 2,756 2,757 2,772 14,777 2,782 2,786 2,790 1,791 4,793 6,794 6,796 6,808 1,809 2,829 2,859 2,866 4,868 20,892 4,893 7.7,896 2,901 11.667,902 4.905,903 4.333,904 1.414,907 2.159,908 1.35,909 0.976,910 3.671,911 8.332,912 3.401,913 4.025,914 4.559,915 5.08,916 5.547,917 5.627,918 5.708,919 5.752,920 5.915,921 6.124,922 0.8,923 30,924 7.599,926 3.601,927 0.026,929 9.067,931 12.61,933 10.054,936 3.567,937 71.333,941 70.627,942 109.98,945 50.29,946 59.84,948 109.98,949 120.916,950 59.84,953 56.857,954 60.557,955 42.855,956 59.84,957 70.627,959 70.627,960 109.98,961 110.13,964 130.467,965 50.29,969 109.98,972 130.467,973 50.29,974 109.98,977 70.627,978 53.122,979 56.857,981 110.13,982 70.627,983 110.13,984 109.98,986 0.594,987 0.332,988 0.179,989 0.093,990 14,991 8,992 0.111,993 3,995 1,996 3.066,997 145.381,999 12,1000 54.439,1005 13.952,1006 5.262,1007 3.118,1009 110.13,1010 3.724,1015 -5.203,1018 290.737,1019 29,1024 23.489,1028 -2.512,1031 28.123,1032 29.854,1034 0.355,1035 0.566,1036 0.611,1037 0.656,1038 0.656,1039 0.656,1040 4.635,1041 0.437,1042 5.485,1043 3.629,1044 4.111,1045 4.71,1047 6.286,1048 4.057,1049 5.882,1050 -0.347,1051 7.05,1052 1.052,1053 3.892,1054 4.663,1056 7.13,1057 3.789,1058 7.204,1059 -0.347,1060 8.706,1061 -0.891,1062 5.707,1063 6.913,1065 10.211,1066 5.643,1067 8.554,1068 -0.471,1069 10.411,1070 -0.891,1071 6.176,1072 7.546,1074 11.8,1075 6.111,1076 9.926,1077 -0.483,1078 12.147,1079 -1.182,1080 7.561,1081 9.352,1083 14.443,1084 7.523,1085 11.316,1086 -1,1087 13.905,1088 -1.191,1089 8.356,1090 10.318,1092 16.394,1093 8.344,1094 12.72,1095 -1,1096 15.682,1097 -2.55,1098 9.569,1099 11.925,1101 18.853,1102 9.581,1103 3.084,1104 -1.378,1105 17.473,1106 -2.606,1107 10.525,1108 13.071,1110 20.986,1111 10.571,1112 2.763,1113 10.154,1114 19.278,1115 -3.744,1116 11.669,1117 14.575,1119 23.363,1120 11.739,1121 2.452,1122 8.279,1123 21.093,1124 4.039,1125 12.702,1126 15.82,1128 25.585,1129 12.808,1130 2,1131 6.91,1132 22.918,1133 3.827,1134 13.82,1135 17.269,1137 27.926,1138 13.953,1139 1.879,1140 5.892,1141 24.75,1142 3.272,1143 14.892,1144 18.571,1146 30.194,1147 15.059,1148 1.879,1149 4.963,1150 26.589,1151 2.651,1152 16.001,1153 19.99,1155 32.519,1156 16.198,1157 1.257,1158 4.963,1159 28.433,1160 2.481,1161 17.093,1162 21.325,1164 34.81,1165 17.322,1166 3381,1167 7888,1168 12.948,1169 18.466,1170 32.47,1171 35.052,1172 33.667,1173 31.88,1174 31.501,1175 42.598,1177 91.68,1178 30.407,1179 5.266,1180 5.843,1181 5.549,1182 5.106,1183 5.084,1184 7.039,1186 17.37,1187 5.155,1188 12.894,1189 1.546,1190 1.669,1191 1.603,1192 1.518,1193 1.5,1194 2.028,1196 4.366,1197 1.448,1198 3.993,1199 4.006,1200 3.968,1201 3.906,1202 8.215,1203 3.917,1204 3.876,1205 3.899,1206 3.845,1207 3.793,1208 8.208,1209 3.8,1210 3.414,1211 3.404,1212 3.405,1213 3.219,1214 8.191,1215 3.26,1216 2.937,1217 2.985,1218 2.913,1219 2.75,1220 8.191,1221 2.763,1222 2.937,1223 2.985,1224 2.913,1225 2.73,1226 7.496,1227 2.753,1228 2.901,1229 2.927,1230 2.856,1231 2.73,1232 7.352,1233 2.753,1234 2.561,1235 2.606,1236 2.456,1237 2.35,1238 4.471,1239 2.367,1240 2.255,1241 2.227,1242 2.194,1243 1.775,1244 4.429,1245 1.883,1246 0.211,1247 0.183,1248 0.312,1249 0.196,1250 0.147,1251 4.438,1252 0.192,1253 3.843,1255 6.549,1256 0.484,1257 4.106,1258 0.15,1259 3.084,1260 4.039,1262 10.154,1263 3.155,1264 1.928,1265 1.916,1266 1.992,1267 2.031,1268 1.084,1269 2.016,1270 1.842,1271 1.822,1272 1.92,1273 1.944,1274 1.011,1275 1.935,1276 1.277,1277 1.282,1278 1.331,1279 1.498,1280 0.314,1281 1.435,1282 0.84,1283 0.809,1284 1.038,1285 1.074,1286 0.113,1287 1.047,1288 0.832,1289 0.787,1290 1.035,1291 1.074,1292 0.072,1293 1.047,1294 0.832,1295 0.787,1296 1.035,1297 1.028,1298 0.072,1299 1.021,1300 0.498,1301 0.454,1302 0.778,1303 0.765,1305 0.772,1308 0.144,1309 0.467,1311 0.355,1312 3.761,1314 5.094,1316 6.605,1318 8.203,1320 9.844,1324 51.836,1340 19.597,1341 43.399,1342 69.192,1343 74.702,1344 80.211,1345 80.211,1346 80.211,1347 82.595,1348 6.174,1349 34.14,1350 34.14,1351 12,1352 12.064,1353 3.907,1354 3.17,1355 36.281,1356 58,1357 44,1358 0.317,1359 119.643,1360 224.98,1361 283.688,1362 3037,1363 15.4,1364 14.861,1365 0.743,1366 0.49,1367 11.38,1368 9.792,1369 9.363,1370 0.446,1371 0.256,1372 5.249,1373 8.764,1374 5.209,1375 4.249,1376 7.788,1377 5.378,1378 9.073,1379 0.302,1380 0.132,1381 6.514,1382 3.974,1383 6.746,1384 0.187,1385 0.068,1386 5.616,1387 2.456,1388 5.736,1389 0.125,1390 0.035,1391 4.179,1392 1.632,1393 3.992,1394 0.077,1395 0.019,1396 3.131,1397 0.963,1398 0.48,1399 60.797,1400 0.278,1401 19.608,1402 0.915,1403 102,1404 625.916,1405 121.531,1406 493.039,1407 608.28,1408 450,1409 117,1410 396.606,1411 133.402,1412 376.261,1413 546.28,1414 352,1415 4}
{0 CHEMBL1940612,1 1.391,2 14.548,3 4.602,4 21.181,5 127.212,6 6.676,7 0.364,8 4.196,9 4.321,10 3.66,11 3.737,12 5.222,13 3.689,14 4.754,15 4.949,16 3.954,17 4.108,18 5.706,19 4.032,20 5.019,21 5.251,22 4.076,23 4.256,24 5.976,25 4.158,26 5.104,27 5.343,28 4.017,29 4.258,30 6.079,31 4.138,32 5.129,33 5.391,34 3.89,35 4.228,36 6.092,37 4.076,38 5.093,39 5.37,40 3.715,41 4.173,42 5.879,43 3.997,44 5.03,45 5.305,46 3.594,47 4.126,48 5.784,49 3.93,50 4.984,51 5.28,52 3.48,53 4.034,54 5.697,55 3.82,56 0.043,57 0.853,58 14.252,59 6.215,60 8.456,61 8.465,62 0.2,63 1.383,64 26.177,65 9.927,66 22.284,67 13.974,68 0.304,69 1.704,70 34.704,71 12.825,72 40.415,73 18.301,74 0.445,75 1.775,76 38.363,77 13.773,78 57.917,79 19.53,80 0.477,81 1.786,82 39.525,83 14.04,84 87.054,85 20.239,86 0.412,87 1.707,88 38.191,89 13.565,90 54.863,91 19.632,92 0.367,93 1.594,94 35.559,95 13.453,96 47.075,97 19.183,98 0.282,99 1.492,100 33.941,101 12.919,102 44.266,103 18.727,104 21,105 43,106 0.224,107 0.53,108 0.725,109 0.836,110 0.872,111 0.892,112 3.471,113 1.011,114 -4.88,115 -4.78,116 -4.49,121 41.3,122 1,123 4,126 1,127 4,137 1,140 1,144 8,145 3,146 1,159 2,176 13,180 8,185 2,187 13,192 9,195 1,197 2,200 8,205 1,206 8,209 1,211 3,214 6,218 1,219 5,224 3,227 7,232 4,237 1,239 11,244 3,247 1,251 13,256 3,264 10,269 3,274 2,277 8,281 1632,282 21.328,283 21.328,284 21.328,285 21.328,286 21.328,287 19.497,288 21.914,289 12.997,290 21.65,291 16.165,292 16.165,293 16.165,294 16.165,295 16.165,296 13.249,297 27.368,298 6.003,299 16.517,300 4.587,301 2.689,302 1.477,303 0.786,304 0.564,305 0.437,306 4.156,311 1,312 1,313 955,314 4.062,318 319.404,322 166.677,325 2.073,326 28.334,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 66,338 451,339 4.545,340 3.718,341 6.759,342 4.204,343 3.19,344 4.151,345 0.916,346 10.98,347 3.232,348 4.206,349 3.356,350 6.159,351 3.84,352 2.875,353 3.805,354 0.86,355 9.118,356 2.773,357 3.799,358 3.188,359 5.854,360 3.436,361 2.43,362 3.158,363 0.4,364 7.839,365 2.45,366 3.551,367 2.729,368 5.284,369 3.304,370 2.38,371 2.806,372 0.172,373 6.713,374 2.198,375 3.43,376 2.432,377 5.277,378 3.142,379 2.119,380 2.467,382 6.305,383 2.152,384 2.96,385 2.151,386 4.316,387 2.795,388 1.803,389 2.11,391 4.043,392 1.786,393 2.917,394 1.959,395 3.961,396 2.511,397 1.551,398 2.088,400 3.667,401 1.494,402 2.859,403 1.753,404 3.786,405 2.472,406 1.49,407 1.959,409 3.229,410 1.445,411 2.767,412 1.512,413 3.671,414 2.423,415 1.426,416 1.785,418 3.024,419 1.42,420 2.538,421 1.35,422 3.621,423 2.246,424 1.261,425 1.509,427 2.705,428 1.24,429 2.397,430 1.313,431 3.508,432 2.039,433 1.023,434 1.344,436 2.502,437 1.037,438 2.204,439 1.261,440 3.255,441 1.783,442 0.779,443 0.938,445 1.72,446 0.774,447 1.744,448 0.94,449 2.913,450 1.497,451 0.555,452 0.638,454 0.974,455 0.507,456 1.705,457 0.803,458 2.821,459 1.458,460 0.461,461 0.563,463 0.919,464 0.462,465 1.375,466 0.528,467 2.602,468 1.232,469 0.275,470 0.302,472 0.428,473 0.263,474 14.8,475 0.477,476 0.537,477 0.017,478 35.75,479 1.153,480 17,481 0.548,482 18.75,483 0.605,484 29.008,485 0.936,486 34.4,487 0.546,488 26.803,489 0.865,490 7.061,491 0.228,492 8.073,493 0.26,494 0.113,496 0.264,501 0.711,502 1.321,503 0.894,504 1.174,505 0.545,506 1.071,507 1.009,508 1.097,509 0.989,510 1.014,511 0.612,512 0.99,513 0.87,514 1.045,515 0.893,516 0.995,517 0.738,518 0.947,519 1.082,520 1.086,521 1.024,522 1.057,523 1.061,524 1.037,525 0.979,526 1.037,527 1.023,528 1.015,529 1.03,530 1.021,531 1.06,532 0.925,533 1.081,534 0.954,535 0.904,536 1.006,537 0.891,538 0.945,539 1.097,540 1.04,541 0.771,542 1.09,543 0.673,544 0.979,545 0.948,546 1.011,547 0.725,548 1.019,549 4.5,550 0.095,551 3.111,552 2.063,553 1.76,554 0.701,555 0.405,556 0.252,557 0.148,558 0.137,559 15317,560 36492,561 2.031,562 50.8,563 4,564 20,567 1,569 7,572 1.728,573 1.918,574 3.779,575 -0.425,582 87.602,583 1.391,584 3.289,585 4.501,586 5.191,587 5.414,588 5.541,589 3.161,590 4.503,591 4.934,592 4.008,593 1863.81,594 8.562,595 29811.9,597 1,600 376.569,601 1.318,602 4.892,603 0.136,604 0.004,605 0.072,606 0.044,607 0.042,608 0.019,609 0.013,610 0.01,611 0.006,612 0.006,613 0.354,614 0.33,615 0.88,616 0.796,617 167.417,618 -0.001,619 -0.11,620 0.045,621 -0.041,622 -0.004,623 -0.001,624 -0.085,625 0.028,626 -0.012,627 0.017,628 0.018,629 0.016,630 0.045,631 0.002,632 0.086,633 0.002,634 0.098,635 0.045,636 0.026,637 -0.083,638 -0.025,639 -0.078,640 0.033,641 -0.063,642 0.023,643 -0.063,644 -0.034,645 -0.052,646 0.087,647 -0.05,648 -0.117,649 0.038,650 -0.098,652 -0.088,653 -0.038,654 -0.067,656 -0.133,657 -0.062,658 -0.073,659 -0.101,660 0.005,661 -0.072,662 0.002,663 -0.038,664 -0.033,665 -0.023,666 1.771,667 5.535,668 0.516,669 32.537,670 0.991,671 1.125,672 3.647,673 13.303,674 0.648,675 3.526,676 3.784,677 4.043,678 4.248,679 4.431,680 4.369,681 4.344,682 4.304,683 4.304,684 4.143,685 8.842,686 0.605,687 420.6,688 3.526,689 5.03,690 5.861,691 6.711,692 7.561,693 8.419,694 9.277,695 10.141,696 11.004,697 11.871,698 3.2,700 1,701 1,715 8,720 4,722 12,727 2,739 1,741 63,743 15,744 2,745 33,747 65,748 26,749 12,750 4,751 8,752 4,756 3,757 4,763 1,770 4,772 16,773 10,777 3,782 2,784 1,786 3,790 1,793 32,794 5,795 1,796 5,802 2,808 0.667,809 3,829 3,833 1,849 2,853 1,855 1,859 2,864 2,868 31,876 8,877 1,878 1,881 1,893 4.8,896 2,898 1,901 16.167,902 11.7,903 7.222,904 4.133,907 2.483,908 1.339,909 0.953,910 8.722,911 9.803,912 3.761,913 4.248,914 4.792,915 5.267,916 5.739,917 5.77,918 5.962,919 6.073,920 6.276,921 6.119,922 1,923 47,924 11.532,926 4.753,927 0.026,929 7.683,931 22.362,933 17.945,936 2.183,937 67.667,940 1,941 364.904,942 151.379,943 21.135,945 61.29,948 151.379,949 426.194,950 21.135,951 19.708,952 18.561,953 103.297,954 63.314,955 28.924,957 364.904,959 364.904,960 172.514,961 61.29,964 282.506,965 143.687,968 48.521,969 111.76,970 12.233,972 364.904,973 82.425,974 151.379,977 364.904,978 46.385,979 108.119,980 18.011,981 61.29,982 364.904,983 82.425,984 151.379,986 0.558,987 0.338,988 0.185,989 0.099,990 17,991 8,992 0.185,993 12,994 1,995 1.125,996 4.378,997 251.407,998 0.125,999 16,1000 151.58,1005 23.087,1006 11.712,1007 6.207,1009 82.425,1010 15.18,1015 3.149,1017 18.011,1018 598.708,1019 42,1024 24.733,1026 1.432,1028 0.218,1031 62.44,1032 70.853,1034 0.233,1035 0.55,1036 0.753,1037 0.869,1038 0.906,1039 0.927,1040 4.97,1041 1.49,1042 5.808,1043 3.667,1044 4.466,1045 4.934,1046 1.459,1047 6.581,1048 4.435,1049 6.128,1050 1.426,1051 7.343,1052 3.229,1053 3.892,1054 4.575,1055 0.325,1056 7.452,1057 3.871,1058 7.406,1059 1.261,1060 8.987,1061 3.024,1062 6.009,1063 7.017,1064 1.132,1065 10.568,1066 5.96,1067 8.724,1068 1.023,1069 10.699,1070 2.705,1071 6.33,1072 7.546,1073 0.393,1074 12.31,1075 6.301,1076 10.082,1077 0.779,1078 12.456,1079 2.502,1080 7.854,1081 9.427,1082 0.925,1083 14.941,1084 7.808,1085 11.467,1086 0.555,1087 14.242,1088 1.72,1089 8.605,1090 10.38,1091 0.384,1092 17.035,1093 8.584,1094 12.875,1095 0.461,1096 16.051,1097 0.974,1098 9.889,1099 12.018,1100 0.765,1101 19.505,1102 9.862,1103 3.19,1104 0.275,1105 17.875,1106 0.919,1107 10.847,1108 13.184,1109 0.351,1110 21.754,1111 10.845,1112 2.875,1113 10.98,1114 19.712,1115 0.428,1116 12.035,1117 14.707,1118 0.634,1119 24.169,1120 12.037,1121 2.43,1122 9.118,1123 21.558,1124 4.151,1125 13.091,1126 15.985,1127 0.312,1128 26.489,1129 13.117,1130 2.38,1131 7.839,1132 23.412,1133 3.805,1134 14.244,1135 17.45,1136 0.525,1137 28.885,1138 14.281,1139 2.119,1140 6.713,1141 25.273,1142 3.158,1143 15.346,1144 18.787,1145 0.273,1146 31.241,1147 15.405,1148 1.803,1149 6.305,1150 27.139,1151 2.806,1152 16.489,1153 20.224,1154 0.433,1155 33.631,1156 16.563,1157 1.551,1158 4.043,1159 29.01,1160 2.467,1161 17.614,1162 21.594,1163 0.236,1164 36.004,1165 17.708,1166 14792,1167 23038,1168 21.959,1169 40.796,1170 47.811,1171 49.635,1172 49.397,1173 47.217,1174 47.237,1175 59.249,1176 4.698,1177 128.332,1178 46.461,1179 5.517,1180 5.718,1181 6.622,1182 5.225,1183 5.19,1184 7.151,1185 1.776,1186 18.484,1187 5.232,1188 15.217,1189 1.449,1190 1.504,1191 1.497,1192 1.431,1193 1.431,1194 1.795,1195 0.142,1196 3.889,1197 1.408,1198 4.027,1199 4.045,1200 3.988,1201 3.954,1202 7.437,1203 3.959,1204 3.941,1205 3.972,1206 3.876,1207 3.859,1208 7.419,1209 3.858,1210 3.765,1211 3.826,1212 3.621,1213 3.635,1214 4.862,1215 3.621,1216 3.629,1217 3.7,1218 3.513,1219 3.467,1220 4.694,1221 3.471,1222 3.516,1223 3.571,1224 3.387,1225 3.374,1226 4.394,1227 3.369,1228 3.333,1229 3.406,1230 3.153,1231 3.168,1232 4.362,1233 3.148,1234 3.249,1235 3.315,1236 3.082,1237 2.99,1238 4.258,1239 2.988,1240 3.148,1241 3.224,1242 3.063,1243 2.952,1244 4.028,1245 2.968,1246 0.138,1247 0.113,1248 0.205,1249 0.127,1250 0.097,1251 4.545,1252 0.126,1253 3.718,1254 0.028,1255 6.759,1256 0.333,1257 4.204,1258 0.098,1259 3.19,1260 4.151,1261 0.916,1262 10.98,1263 3.232,1264 1.979,1265 1.966,1266 2.063,1267 2.068,1268 1.381,1269 2.064,1270 1.913,1271 1.887,1272 2.045,1273 2.031,1274 1.216,1275 2.037,1276 1.77,1277 1.708,1278 1.994,1279 1.929,1280 1.159,1281 1.954,1282 1.61,1283 1.543,1284 1.86,1285 1.816,1286 1.067,1287 1.834,1288 1.505,1289 1.454,1290 1.739,1291 1.683,1292 0.956,1293 1.704,1294 1.351,1295 1.277,1296 1.602,1297 1.543,1298 0.724,1299 1.571,1300 1.198,1301 1.126,1302 1.573,1303 1.513,1304 0.639,1305 1.533,1306 1.151,1307 1.071,1308 1.463,1309 1.378,1310 0.574,1311 1.413,1312 4.205,1314 5.476,1316 6.957,1318 8.544,1320 10.19,1322 3.905,1328 7.988,1329 3.165,1330 5.461,1333 2.435,1340 38.089,1341 87.602,1342 207.177,1343 283.549,1344 327.059,1345 341.059,1346 349.059,1347 71.198,1348 7.321,1349 58.64,1350 58.64,1351 18,1352 12.417,1353 4,1354 3.322,1355 58.916,1356 172,1357 121,1358 0.163,1359 237.222,1360 424.09,1361 570.581,1362 17846,1364 22.054,1365 0.711,1366 0.598,1367 22.054,1368 18.525,1369 15.135,1370 0.459,1371 0.337,1372 10.994,1373 14.669,1374 10.689,1375 8.948,1376 15.135,1377 11.116,1378 12.512,1379 0.291,1380 0.182,1381 12.512,1382 7.819,1383 10.691,1384 0.191,1385 0.102,1386 10.691,1387 5.707,1388 8.564,1389 0.124,1390 0.057,1391 8.564,1392 3.907,1393 6.811,1394 0.082,1395 0.032,1396 6.811,1397 2.651,1398 0.272,1399 94.144,1400 0.213,1401 30.21,1402 0.408,1403 152,1404 417.185,1405 162.888,1406 400.96,1407 541.37,1408 376,1409 175,1410 383.621,1411 186.694,1412 391.916,1413 570.29,1414 368,1415 4.347}
{0 CHEMBL1940613,1 1.451,2 14.548,3 3.88,4 15.056,5 124.683,6 6.8,7 0.364,8 4.186,9 4.313,10 3.667,11 3.71,12 5.231,13 3.67,14 4.744,15 4.94,16 3.961,17 4.074,18 5.715,19 4.008,20 5,21 5.233,22 4.084,23 4.217,24 5.995,25 4.129,26 5.078,27 5.318,28 4.018,29 4.225,30 6.072,31 4.112,32 5.106,33 5.367,34 3.889,35 4.212,36 6.073,37 4.063,38 5.088,39 5.365,40 3.717,41 4.161,42 5.879,43 3.988,44 5.021,45 5.296,46 3.597,47 4.106,48 5.787,49 3.916,50 4.968,51 5.264,52 3.482,53 4.01,54 5.697,55 3.803,56 0.032,57 0.867,58 13.856,59 5.905,60 8.333,61 8.103,62 0.203,63 1.382,64 25.775,65 9.303,66 22.92,67 13.302,68 0.356,69 1.675,70 34.125,71 11.952,72 46.662,73 17.371,74 0.489,75 1.725,76 37.432,77 12.983,78 61.131,79 18.679,80 0.482,81 1.735,82 38.675,83 13.707,84 85.949,85 19.807,86 0.424,87 1.67,88 38.242,89 13.311,90 57.678,91 19.417,92 0.39,93 1.561,94 35.529,95 12.959,96 50.405,97 18.687,98 0.302,99 1.45,100 33.789,101 12.343,102 47.44,103 18.131,104 21,105 43,106 0.234,107 0.56,108 0.768,109 0.864,110 0.885,111 0.895,112 3.471,113 0.998,114 -3.51,115 -3.49,116 -3.33,121 40.3,122 1,123 4,126 1,127 4,137 1,140 1,144 6,145 2,146 1,147 1,148 1,159 2,176 9,180 9,185 2,187 7,191 1,192 9,195 1,197 2,200 4,205 2,206 6,209 1,211 2,214 5,218 1,219 4,222 1,224 2,227 7,232 4,239 10,244 4,247 1,251 11,256 4,264 7,269 4,274 2,277 5,281 1632,282 21.328,283 21.328,284 21.328,285 21.328,286 21.328,287 19.497,288 21.914,289 12.997,290 21.709,291 16.165,292 16.165,293 16.165,294 16.165,295 16.165,296 13.249,297 27.368,298 6.003,299 16.611,300 4.503,301 2.49,302 1.202,303 0.605,304 0.476,305 0.411,306 4.156,311 1,312 1,313 955,314 4.062,318 319.404,322 166.677,325 2.073,326 30.061,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 66.5,338 451,339 4.545,340 3.718,341 6.759,342 4.196,343 3.19,344 4.151,345 0.916,346 10.98,347 3.207,348 4.206,349 3.356,350 6.159,351 3.84,352 2.875,353 3.805,354 0.86,355 9.118,356 2.773,357 3.799,358 3.188,359 5.854,360 3.423,361 2.43,362 3.158,363 0.4,364 7.839,365 2.419,366 3.551,367 2.729,368 5.284,369 3.304,370 2.38,371 2.806,372 0.172,373 6.713,374 2.198,375 3.43,376 2.432,377 5.277,378 3.142,379 2.119,380 2.467,382 6.305,383 2.147,384 2.96,385 2.151,386 4.316,387 2.794,388 1.803,389 2.11,391 4.043,392 1.783,393 2.917,394 1.959,395 3.961,396 2.504,397 1.551,398 2.088,400 3.667,401 1.477,402 2.859,403 1.753,404 3.786,405 2.462,406 1.49,407 1.959,409 3.229,410 1.439,411 2.767,412 1.512,413 3.671,414 2.418,415 1.426,416 1.785,418 3.024,419 1.412,420 2.538,421 1.35,422 3.621,423 2.243,424 1.261,425 1.509,427 2.705,428 1.236,429 2.397,430 1.313,431 3.508,432 2.001,433 1.023,434 1.344,436 2.502,437 0.994,438 2.204,439 1.261,440 3.255,441 1.778,442 0.779,443 0.938,445 1.72,446 0.771,447 1.744,448 0.94,449 2.913,450 1.496,451 0.555,452 0.638,454 0.974,455 0.507,456 1.705,457 0.803,458 2.821,459 1.458,460 0.461,461 0.563,463 0.919,464 0.461,465 1.375,466 0.528,467 2.602,468 1.232,469 0.275,470 0.302,472 0.428,473 0.263,474 14.7,475 0.474,476 0.537,477 0.017,478 36.25,479 1.169,480 17,481 0.548,482 19.25,483 0.621,484 28.695,485 0.926,486 34.5,487 0.556,488 27.116,489 0.875,490 7.142,491 0.23,492 7.992,493 0.258,494 0.113,496 0.265,501 0.72,502 1.396,503 0.871,504 1.207,505 0.544,506 1.079,507 1.021,508 1.141,509 0.971,510 1.019,511 0.622,512 0.981,513 0.848,514 1.065,515 0.875,516 0.992,517 0.72,518 0.938,519 0.995,520 1.053,521 0.998,522 1.043,523 0.958,524 1.026,525 0.871,526 1.005,527 1.005,528 1.041,529 0.932,530 1.043,531 1.004,532 0.921,533 1.064,534 0.97,535 0.885,536 1.017,537 0.886,538 0.927,539 1.096,540 1.042,541 0.773,542 1.094,543 0.687,544 0.968,545 0.953,546 1.018,547 0.734,548 1.027,549 4.5,550 0.095,551 3.111,552 2.063,553 1.76,554 0.701,555 0.405,556 0.252,557 0.148,558 0.137,559 15317,560 38064,561 2.031,562 50,563 4,564 18,566 1,567 1,569 7,572 1.728,573 1.918,574 3.779,575 -0.393,577 1,582 89.974,583 1.451,584 3.464,585 4.752,586 5.349,587 5.478,588 5.543,589 3.161,590 4.503,591 4.934,592 4.008,593 1863.81,594 8.562,595 29811.9,597 1,600 369.16,601 1.318,602 4.892,603 0.136,604 0.004,605 0.072,606 0.044,607 0.042,608 0.019,609 0.013,610 0.01,611 0.006,612 0.006,613 0.354,614 0.33,615 0.88,616 0.796,617 167.417,618 -0.006,619 -0.164,620 0.048,621 -0.067,623 -0.013,624 -0.093,625 -0.012,626 -0.002,627 0.009,628 0.018,629 0.019,630 0.08,631 -0.016,632 0.102,633 0.002,634 0.128,635 0.049,636 0.063,637 -0.054,638 -0.006,639 -0.06,640 0.07,641 -0.047,642 0.053,643 -0.045,644 -0.027,645 -0.061,646 0.103,647 -0.056,648 -0.105,649 0.019,650 -0.086,651 -0.004,652 -0.083,653 -0.036,654 -0.071,655 0.006,656 -0.132,657 -0.059,658 -0.075,659 -0.099,660 0.001,661 -0.073,663 -0.04,664 -0.037,665 -0.024,666 1.882,667 5.495,668 0.516,669 32.537,670 0.994,671 1.128,672 2.279,673 5.194,674 0.646,675 3.526,676 3.784,677 4.043,678 4.248,679 4.431,680 4.369,681 4.344,682 4.304,683 4.304,684 4.143,685 8.842,686 0.606,687 421.59,688 3.526,689 5.03,690 5.861,691 6.711,692 7.561,693 8.419,694 9.277,695 10.141,696 11.004,697 11.871,698 4.8,700 1,701 1,708 1,715 7,716 1,720 4,722 12,727 2,739 1,741 62,743 15,744 1,745 33,747 64,748 25,749 11,750 2,751 4,752 4,756 3,757 4,763 1,770 4,772 15,773 10,777 3,782 2,784 1,786 3,790 1,793 31,794 6,795 1,796 6,802 3,808 0.667,809 3,822 1,829 3,833 1,849 2,853 1,855 1,859 2,864 2,868 31,876 8,877 1,878 1,881 1,893 4.8,896 2,898 1,901 16.167,902 11.567,903 7.222,904 4.056,907 2.483,908 1.339,909 0.95,910 8.663,911 9.803,912 3.761,913 4.248,914 4.792,915 5.267,916 5.739,917 5.77,918 5.962,919 6.073,920 6.276,921 6.119,922 1,923 47,924 11.522,926 4.752,927 0.026,929 7.715,931 22.233,933 17.753,936 2.215,937 68.667,940 1,941 353.133,942 141.045,943 37.921,945 61.29,948 141.045,949 414.423,950 37.921,951 19.708,952 18.561,953 84.344,954 91.87,955 37.543,957 341.362,959 353.133,960 178.966,961 61.29,964 270.735,965 143.687,968 60.325,969 89.622,970 29.019,972 353.133,973 99.21,974 141.045,977 353.133,978 45.956,979 98.214,980 18.011,981 78.075,982 353.133,983 99.21,984 141.045,986 0.558,987 0.338,988 0.185,989 0.099,990 17,991 8,992 0.188,993 12,994 1,995 1.125,996 4.378,997 251.407,998 0.125,999 16,1000 153.58,1005 23.023,1006 11.664,1007 6.175,1009 99.21,1010 13.038,1011 4.019,1015 2.78,1017 18.011,1018 593.389,1019 42,1024 24.63,1026 1.37,1028 0.004,1031 61.658,1032 69.936,1034 0.244,1035 0.582,1036 0.798,1037 0.898,1038 0.92,1039 0.931,1040 4.97,1041 1.49,1042 5.808,1043 3.667,1044 4.466,1045 4.934,1046 1.459,1047 6.581,1048 4.423,1049 6.128,1050 1.426,1051 7.343,1052 3.229,1053 3.892,1054 4.575,1055 0.325,1056 7.452,1057 3.858,1058 7.406,1059 1.261,1060 8.987,1061 3.024,1062 6.009,1063 7.017,1064 1.132,1065 10.568,1066 5.937,1067 8.724,1068 1.023,1069 10.699,1070 2.705,1071 6.33,1072 7.546,1073 0.393,1074 12.31,1075 6.275,1076 10.082,1077 0.779,1078 12.456,1079 2.502,1080 7.854,1081 9.427,1082 0.925,1083 14.941,1084 7.772,1085 11.467,1086 0.555,1087 14.242,1088 1.72,1089 8.605,1090 10.38,1091 0.384,1092 17.035,1093 8.543,1094 12.875,1095 0.461,1096 16.051,1097 0.974,1098 9.889,1099 12.018,1100 0.765,1101 19.505,1102 9.812,1103 3.19,1104 0.275,1105 17.875,1106 0.919,1107 10.847,1108 13.184,1109 0.351,1110 21.754,1111 10.789,1112 2.875,1113 10.98,1114 19.712,1115 0.428,1116 12.035,1117 14.707,1118 0.634,1119 24.169,1120 11.973,1121 2.43,1122 9.118,1123 21.558,1124 4.151,1125 13.091,1126 15.985,1127 0.312,1128 26.489,1129 13.044,1130 2.38,1131 7.839,1132 23.412,1133 3.805,1134 14.244,1135 17.45,1136 0.525,1137 28.885,1138 14.201,1139 2.119,1140 6.713,1141 25.273,1142 3.158,1143 15.346,1144 18.787,1145 0.273,1146 31.241,1147 15.316,1148 1.803,1149 6.305,1150 27.139,1151 2.806,1152 16.489,1153 20.224,1154 0.433,1155 33.631,1156 16.466,1157 1.551,1158 4.043,1159 29.01,1160 2.467,1161 17.614,1162 21.594,1163 0.236,1164 36.004,1165 17.602,1166 14792,1167 23576,1168 21.959,1169 40.04,1170 47.811,1171 49.635,1172 49.397,1173 47.218,1174 47.237,1175 59.249,1176 4.698,1177 128.332,1178 46.171,1179 5.517,1180 5.718,1181 6.622,1182 5.234,1183 5.19,1184 7.151,1185 1.776,1186 18.484,1187 5.207,1188 15.217,1189 1.449,1190 1.504,1191 1.497,1192 1.431,1193 1.431,1194 1.795,1195 0.142,1196 3.889,1197 1.399,1198 4.01,1199 4.035,1200 3.977,1201 3.906,1202 7.437,1203 3.92,1204 3.939,1205 3.97,1206 3.876,1207 3.855,1208 7.419,1209 3.856,1210 3.764,1211 3.825,1212 3.62,1213 3.631,1214 4.865,1215 3.618,1216 3.624,1217 3.697,1218 3.506,1219 3.451,1220 4.829,1221 3.454,1222 3.507,1223 3.565,1224 3.383,1225 3.363,1226 4.394,1227 3.36,1228 3.332,1229 3.404,1230 3.153,1231 3.168,1232 4.369,1233 3.148,1234 3.249,1235 3.315,1236 3.072,1237 2.99,1238 4.258,1239 2.988,1240 3.143,1241 3.224,1242 3.063,1243 2.949,1244 4.029,1245 2.943,1246 0.138,1247 0.113,1248 0.205,1249 0.127,1250 0.097,1251 4.545,1252 0.126,1253 3.718,1254 0.028,1255 6.759,1256 0.333,1257 4.196,1258 0.097,1259 3.19,1260 4.151,1261 0.916,1262 10.98,1263 3.207,1264 1.936,1265 1.918,1266 2.053,1267 2.06,1268 1.381,1269 2.048,1270 1.913,1271 1.887,1272 2.013,1273 2.03,1274 1.215,1275 2.033,1276 1.768,1277 1.705,1278 1.979,1279 1.928,1280 1.092,1281 1.951,1282 1.604,1283 1.533,1284 1.858,1285 1.814,1286 1.046,1287 1.832,1288 1.49,1289 1.438,1290 1.733,1291 1.678,1292 0.951,1293 1.697,1294 1.349,1295 1.276,1296 1.592,1297 1.541,1298 0.71,1299 1.566,1300 1.198,1301 1.126,1302 1.573,1303 1.513,1304 0.629,1305 1.533,1306 1.151,1307 1.07,1308 1.463,1309 1.378,1310 0.574,1311 1.412,1312 4.205,1314 5.476,1316 6.957,1318 8.544,1320 10.19,1322 3.898,1328 7.904,1329 3.138,1330 5.458,1333 2.429,1340 37.584,1341 89.974,1342 214.788,1343 294.631,1344 331.65,1345 339.65,1346 343.65,1347 71.492,1348 7.321,1349 71.53,1350 71.53,1351 18,1352 12.417,1353 4,1354 3.322,1355 58.916,1356 172,1357 121,1358 0.163,1359 234.424,1360 417.79,1361 563.754,1362 17846,1364 22.054,1365 0.711,1366 0.593,1367 22.054,1368 18.395,1369 15.135,1370 0.459,1371 0.333,1372 10.838,1373 14.602,1374 10.549,1375 8.826,1376 15.135,1377 10.975,1378 12.512,1379 0.291,1380 0.178,1381 12.512,1382 7.673,1383 10.691,1384 0.191,1385 0.099,1386 10.691,1387 5.556,1388 8.564,1389 0.124,1390 0.055,1391 8.564,1392 3.787,1393 6.811,1394 0.082,1395 0.031,1396 6.811,1397 2.552,1398 0.272,1399 94.598,1400 0.213,1401 30.21,1402 0.408,1403 152,1404 436.83,1405 164.609,1406 418.075,1407 563.73,1408 392,1409 175,1410 400.086,1411 188.748,1412 407.109,1413 592.77,1414 382,1415 7.554}
{0 CHEMBL1940614,1 1.378,2 13.828,3 4.608,4 21.23,5 121.007,6 6.327,7 0.2,8 4.181,9 4.312,10 3.585,11 3.681,12 5.197,13 3.625,14 4.741,15 4.957,16 3.87,17 4.035,18 5.653,19 3.951,20 4.968,21 5.197,22 4.007,23 4.192,24 5.933,25 4.092,26 5.111,27 5.351,28 3.909,29 4.231,30 6.052,31 4.088,32 5.167,33 5.453,34 3.77,35 4.201,36 6.034,37 4.021,38 5.067,39 5.349,40 3.654,41 4.132,42 5.826,43 3.951,44 5.015,45 5.294,46 3.535,47 4.091,48 5.751,49 3.887,50 4.987,51 5.293,52 3.411,53 3.999,54 5.668,55 3.772,56 0.059,57 0.844,58 15.01,59 6.249,60 10.759,61 8.712,62 0.216,63 1.325,64 26.621,65 9.536,66 22.965,67 13.968,68 0.298,69 1.595,70 33.457,71 11.893,72 40.536,73 17.422,74 0.483,75 1.722,76 38.833,77 13.383,78 60.967,79 19.547,80 0.531,81 1.743,82 40.684,83 13.7,84 80.587,85 20.579,86 0.396,87 1.591,88 36.614,89 12.704,90 47.351,91 18.863,92 0.356,93 1.501,94 34.498,95 12.847,96 41.965,97 18.607,98 0.28,99 1.407,100 33.162,101 12.33,102 39.317,103 18.184,104 41,105 39,106 0.224,107 0.538,108 0.778,109 0.851,110 0.882,111 0.882,112 3.406,113 1.049,114 -4.23,115 -4.17,116 -3.94,121 38.1,122 3,123 4,126 1,127 4,137 1,138 2,140 1,144 4,145 1,146 1,158 2,176 10,180 8,185 2,187 9,191 1,192 9,197 2,200 6,205 1,206 8,209 1,211 1,214 5,219 5,222 1,227 6,232 3,237 1,239 11,243 1,244 2,249 1,251 12,256 2,261 1,264 8,269 4,274 1,277 6,281 1390,282 19.466,283 19.466,284 19.466,285 19.466,286 19.466,287 17.79,288 22.187,289 11.723,290 19.852,291 14.608,292 14.608,293 14.608,294 14.608,295 14.608,296 12.095,297 26.105,298 5.373,299 15.088,300 4.599,301 2.67,302 1.191,303 0.746,304 0.556,305 0.556,306 4.072,311 1,312 1,313 821,314 4.062,318 238.821,325 2.007,326 26.457,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 62,338 401,339 4.525,340 3.697,341 6.634,342 4.136,343 3.136,344 4.033,345 0.916,346 10.341,347 3.137,348 4.206,349 3.188,350 6.159,351 3.84,352 2.875,353 3.805,354 0.86,355 9.118,356 2.773,357 3.762,358 2.897,359 5.766,360 3.351,361 2.381,362 3.031,363 0.6,364 7.444,365 2.321,366 3.484,367 2.729,368 5.284,369 3.303,370 2.367,371 2.671,372 0.172,373 6.713,374 2.197,375 3.43,376 2.516,377 5.166,378 3.009,379 2.031,380 2.467,382 5.898,383 1.977,384 2.917,385 1.966,386 4.316,387 2.776,388 1.785,389 2.088,391 4.043,392 1.767,393 2.867,394 1.932,395 3.885,396 2.493,397 1.545,398 1.96,400 3.628,401 1.457,402 2.793,403 1.739,404 3.657,405 2.434,406 1.439,407 1.801,409 3.031,410 1.428,411 2.544,412 1.512,413 3.614,414 2.278,415 1.3,416 1.434,418 2.774,419 1.268,420 2.145,421 1.304,422 3.284,423 1.812,424 0.83,425 0.998,427 1.848,428 0.808,429 1.739,430 1.03,431 3.071,432 1.49,433 0.555,434 0.638,436 1.011,437 0.508,438 1.614,439 0.94,440 2.909,441 1.45,442 0.491,443 0.528,445 0.93,446 0.469,447 1.513,448 0.761,449 2.803,450 1.33,451 0.302,452 0.34,454 0.659,455 0.307,456 1.343,457 0.522,458 2.601,459 1.224,460 0.273,461 0.292,463 0.429,464 0.261,465 1.036,466 0.228,467 2.379,468 0.888,469 -0.062,470 -0.066,472 -0.132,473 -0.059,474 13.8,475 0.476,476 0.613,477 0.021,478 29.75,479 1.026,480 12.5,481 0.431,482 17.25,483 0.595,484 30.469,485 1.051,486 33.6,487 0.533,488 21.753,489 0.75,490 5.888,491 0.203,492 8.084,493 0.279,494 0.193,496 0.283,501 0.824,502 1.437,503 0.976,504 1.284,505 0.747,506 1.169,507 1.003,508 1.087,509 0.951,510 0.99,511 0.627,512 0.956,513 0.911,514 1.15,515 0.955,516 1.091,517 0.758,518 1.029,519 1.166,520 1.182,521 1.159,522 1.16,523 1.21,524 1.161,525 0.942,526 0.959,527 1.015,528 0.951,529 1.009,530 0.981,531 1.021,532 0.918,533 1.07,534 0.958,535 0.872,536 1.006,537 0.874,538 0.984,539 1.096,540 1.077,541 0.781,542 1.114,543 0.641,544 0.987,545 0.914,546 1.012,547 0.707,548 1.006,549 5,550 0.107,551 3.333,552 1.938,553 1.618,554 0.604,555 0.426,556 0.271,557 0.164,558 0.151,559 12006,560 28265,561 1.938,562 54,563 10,564 16,567 1,569 7,572 1.711,573 1.794,574 3.709,575 -0.405,582 86.801,583 1.378,584 3.307,585 4.786,586 5.231,587 5.421,588 5.421,589 3.043,590 4.582,591 4.838,592 3.944,593 1601.29,594 8.37,595 24508.3,597 1,600 376.569,601 1.475,602 4.773,603 0.167,604 0.005,605 0.085,606 0.045,607 0.045,608 0.019,609 0.015,610 0.011,611 0.008,612 0.008,613 0.409,614 0.33,615 0.88,616 0.904,617 153.52,618 -0.014,619 -0.157,620 0.031,621 -0.062,622 -0.041,623 -0.02,624 -0.063,625 0.056,626 0.057,627 0.066,628 0.037,629 0.079,630 0.038,631 -0.054,632 0.045,633 -0.055,634 0.121,635 -0.008,636 -0.026,637 -0.154,638 -0.148,639 -0.159,640 -0.045,641 -0.172,642 0.005,643 0.004,644 -0.037,645 -0.005,646 0.031,647 -0.022,648 -0.112,649 0.058,650 -0.097,651 0.003,652 -0.088,653 -0.035,654 -0.062,655 -0.026,656 -0.142,657 -0.085,658 -0.075,659 -0.121,660 0.015,661 -0.086,662 0.011,663 -0.043,664 -0.024,665 -0.023,666 1.741,667 5.192,668 0.414,669 29.589,670 0.989,671 1.131,672 2.996,673 8.979,674 0.628,675 3.434,676 3.689,677 3.912,678 4.025,679 4.143,680 4.043,681 3.871,682 3.738,683 3.689,684 3.664,685 8.498,686 0.581,687 398.6,688 3.434,689 4.934,690 5.753,691 6.589,692 7.425,693 8.268,694 9.11,695 9.957,696 10.802,697 11.651,698 3.2,701 1,707 1,715 4,720 2,722 6,739 1,741 63,743 10,744 1,745 30,747 64,748 24,749 6,750 2,751 4,752 6,756 2,757 2,763 3,770 4,772 12,773 12,777 4,782 1,784 1,785 1,786 5,790 1,793 34,794 5,795 1,796 5,802 2,808 1,809 3,829 2,839 1,841 1,849 2,850 2,855 1,857 1,859 2,864 4,868 29,875 1,876 8,878 1,881 1,893 4.8,895 1,896 1,898 1,901 16.167,902 12.35,903 6.806,904 4.104,907 2.167,908 1.319,909 0.907,910 9.463,911 8.95,912 3.638,913 4.119,914 4.603,915 4.976,916 5.351,917 5.333,918 5.287,919 5.204,920 5.19,921 5.159,922 0.889,923 43,924 10.771,926 4.312,927 0.026,929 7.678,931 20.923,933 16.381,936 2.178,937 63.167,940 1,941 388.446,942 125.991,943 19.91,945 78.828,948 125.991,949 467.275,950 19.91,951 37.359,952 18.561,953 47.381,954 75.718,955 45.71,957 388.446,959 388.446,960 145.901,961 78.828,964 306.049,965 161.226,968 64.946,969 71.478,970 9.476,972 388.446,973 98.738,974 125.991,977 388.446,978 41.251,979 87.864,981 95.614,982 388.446,983 98.738,984 125.991,986 0.563,987 0.341,988 0.17,989 0.087,990 14,991 8,992 0.172,993 11,995 1,996 4.12,997 220.409,999 12,1000 138.881,1005 23.216,1006 11.82,1007 6.745,1009 98.738,1010 8.184,1015 2.17,1017 42.683,1018 613.176,1019 37,1024 12.192,1026 1.488,1027 4.396,1028 1.673,1031 62.323,1032 71.268,1034 0.231,1035 0.553,1036 0.801,1037 0.875,1038 0.907,1039 0.907,1040 4.856,1041 1.439,1042 5.714,1043 3.628,1044 4.369,1045 4.804,1046 1.548,1047 6.475,1048 4.314,1049 6.029,1050 1.3,1051 7.256,1052 3.031,1053 3.892,1054 4.543,1055 0.325,1056 7.334,1057 3.819,1058 7.321,1059 0.83,1060 8.906,1061 2.774,1062 5.916,1063 6.882,1064 1.197,1065 10.417,1066 5.82,1067 8.652,1068 0.555,1069 10.618,1070 1.848,1071 6.293,1072 7.469,1073 0.393,1074 12.086,1075 6.192,1076 10.019,1077 0.491,1078 12.371,1079 1.011,1080 7.758,1081 9.276,1082 0.958,1083 14.702,1084 7.641,1085 11.411,1086 0.302,1087 14.15,1088 0.93,1089 8.531,1090 10.253,1091 0.384,1092 16.703,1093 8.417,1094 12.823,1095 0.273,1096 15.947,1097 0.659,1098 9.78,1099 11.84,1100 0.78,1101 19.153,1102 9.657,1103 3.136,1104 -0.062,1105 17.759,1106 0.429,1107 10.739,1108 13.01,1109 0.351,1110 21.309,1111 10.622,1112 2.875,1113 10.341,1114 19.581,1115 -0.132,1116 11.904,1117 14.493,1118 0.64,1119 23.69,1120 11.783,1121 2.381,1122 9.118,1123 21.412,1124 4.033,1125 12.95,1126 15.762,1127 0.312,1128 25.924,1129 12.836,1130 2.367,1131 7.444,1132 23.249,1133 3.805,1134 14.085,1135 17.194,1136 0.527,1137 28.274,1138 13.971,1139 2.031,1140 6.713,1141 25.093,1142 3.031,1143 15.172,1144 18.513,1145 0.273,1146 30.549,1147 15.064,1148 1.785,1149 5.898,1150 26.942,1151 2.671,1152 16.298,1153 19.92,1154 0.434,1155 32.885,1156 16.192,1157 1.545,1158 4.043,1159 28.795,1160 2.467,1161 17.405,1162 21.267,1163 0.236,1164 35.184,1165 17.304,1166 12023,1167 18586,1168 19.186,1169 39.557,1170 43.229,1171 44.579,1172 45.502,1173 42.692,1174 42.621,1175 52.175,1176 5.098,1177 115.733,1178 41.356,1179 5.471,1180 5.697,1181 6.498,1182 5.156,1183 5.136,1184 7.033,1185 1.776,1186 17.837,1187 5.137,1188 17.972,1189 1.441,1190 1.486,1191 1.517,1192 1.423,1193 1.421,1194 1.739,1195 0.17,1196 3.858,1197 1.379,1198 3.969,1199 4.001,1200 3.912,1201 3.875,1202 7.428,1203 3.877,1204 3.921,1205 3.944,1206 3.868,1207 3.834,1208 6.469,1209 3.839,1210 3.752,1211 3.811,1212 3.608,1213 3.623,1214 4.862,1215 3.609,1216 3.597,1217 3.673,1218 3.447,1219 3.42,1220 4.607,1221 3.416,1222 3.398,1223 3.479,1224 3.237,1225 3.23,1226 4.393,1227 3.22,1228 3.249,1229 3.315,1230 3.081,1231 3.074,1232 4.276,1233 3.056,1234 3.23,1235 3.307,1236 3.063,1237 2.99,1238 4.252,1239 2.989,1240 3.179,1241 3.241,1242 3.016,1243 2.966,1244 4.012,1245 2.973,1246 0.151,1247 0.123,1248 0.221,1249 0.138,1250 0.105,1251 4.525,1252 0.134,1253 3.697,1254 0.031,1255 6.634,1256 0.345,1257 4.136,1258 0.105,1259 3.136,1260 4.033,1261 0.916,1262 10.341,1263 3.137,1264 1.913,1265 1.887,1266 2.053,1267 2.033,1268 1.379,1269 2.041,1270 1.888,1271 1.869,1272 2.009,1273 2.009,1274 1.212,1275 2.005,1276 1.76,1277 1.699,1278 1.969,1279 1.916,1280 1.123,1281 1.938,1282 1.589,1283 1.513,1284 1.854,1285 1.796,1286 1.058,1287 1.82,1288 1.408,1289 1.329,1290 1.715,1291 1.619,1292 0.947,1293 1.656,1294 1.242,1295 1.172,1296 1.573,1297 1.513,1298 0.684,1299 1.533,1300 1.198,1301 1.126,1302 1.544,1303 1.455,1304 0.603,1305 1.486,1306 1.162,1307 1.088,1308 1.518,1309 1.414,1310 0.586,1311 1.455,1312 4.111,1314 5.38,1316 6.849,1318 8.416,1320 10.038,1322 7.396,1327 9.881,1328 7.901,1330 5.452,1333 2.434,1340 36.616,1341 86.801,1342 208.353,1343 301.549,1344 329.549,1345 341.549,1346 341.549,1347 77.708,1348 6.783,1349 62.13,1350 62.13,1351 12,1352 12.211,1353 3.459,1354 3,1355 66.291,1356 154,1357 105,1358 0.206,1359 231.285,1360 418.03,1361 556.096,1362 8602,1364 21.225,1365 0.732,1366 0.628,1367 21.225,1368 18.202,1369 13.973,1370 0.466,1371 0.35,1372 10.373,1373 13.508,1374 9.959,1375 8.398,1376 13.973,1377 10.494,1378 11.618,1379 0.298,1380 0.192,1381 11.618,1382 7.47,1383 9.966,1384 0.203,1385 0.112,1386 9.966,1387 5.492,1388 7.133,1389 0.13,1390 0.062,1391 7.133,1392 3.399,1393 5.272,1394 0.085,1395 0.035,1396 5.272,1397 2.198,1398 0.343,1399 87.173,1400 0.228,1401 28.603,1402 0.515,1403 138,1404 378.911,1405 148.888,1406 363.242,1407 486.9,1408 340,1409 157,1410 342.437,1411 168.694,1412 350.748,1413 505.8,1414 327,1415 7.538}
{0 CHEMBL1940615,1 1.438,2 14.414,3 3.216,4 10.344,5 119.086,6 6.567,7 0.2,8 4.162,9 4.285,10 3.599,11 3.633,12 5.214,13 3.595,14 4.715,15 4.918,16 3.863,17 3.971,18 5.678,19 3.906,20 4.931,21 5.157,22 3.977,23 4.112,24 5.932,25 4.023,26 5.027,27 5.267,28 3.896,29 4.151,30 5.97,31 4.023,32 5.089,33 5.359,34 3.795,35 4.168,36 5.989,37 4.001,38 5.078,39 5.358,40 3.666,41 4.113,42 5.879,43 3.938,44 4.975,45 5.249,46 3.537,47 4.031,48 5.751,49 3.846,50 4.917,51 5.208,52 3.416,53 3.94,54 5.645,55 3.734,56 0.035,57 0.813,58 14.307,59 5.923,60 10.831,61 8.096,62 0.252,63 1.253,64 25.964,65 8.823,66 27.816,67 12.757,68 0.42,69 1.487,70 32.411,71 10.939,72 51.553,73 16.026,74 0.539,75 1.575,76 35.811,77 12.166,78 57.962,79 17.823,80 0.498,81 1.634,82 37.877,83 13.094,84 75.235,85 19.479,86 0.457,87 1.561,88 37.719,89 12.627,90 60.759,91 18.748,92 0.424,93 1.421,94 33.908,95 11.771,96 49.235,97 17.199,98 0.306,99 1.306,100 31.745,101 11.34,102 43.291,103 16.721,104 35,105 38,106 0.235,107 0.548,108 0.777,109 0.857,110 0.89,111 0.89,112 3.406,113 1.018,114 -3.24,115 -3.23,116 -3.1,121 37.7,122 1,123 4,126 2,127 4,137 2,140 2,144 4,145 1,146 1,158 2,176 7,180 9,185 1,187 6,191 1,192 8,195 1,197 1,200 4,205 2,206 5,209 1,214 4,218 1,219 4,222 1,227 6,232 3,237 1,239 9,243 1,244 3,249 1,251 9,256 3,261 1,264 5,269 5,274 1,277 3,281 1420,282 19.784,283 19.784,284 19.784,285 19.784,286 19.784,287 18.252,288 24.597,289 12.056,290 20.336,291 14.609,292 14.609,293 14.609,294 14.609,295 14.609,296 12.168,297 29.586,298 5.475,299 15.266,300 4.492,301 2.584,302 1.185,303 0.693,304 0.496,305 0.496,306 4.076,311 1,312 1,313 856,314 4.123,318 239.799,325 2.095,326 28.278,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 63,338 418,339 4.379,340 3.589,341 6.246,342 3.965,343 2.985,344 3.845,345 0.916,346 9.34,347 2.928,348 4.206,349 3.188,350 6.159,351 3.84,352 2.875,353 3.805,354 0.86,355 9.118,356 2.773,357 3.766,358 2.984,359 5.733,360 3.364,361 2.408,362 3.009,363 0.86,364 7.525,365 2.286,366 3.43,367 2.729,368 5.284,369 3.304,370 2.38,371 2.467,372 0.6,373 6.713,374 2.197,375 3.261,376 2.452,377 4.548,378 2.824,379 1.831,380 2.38,381 0.172,382 4.678,383 1.811,384 2.917,385 1.963,386 4.316,387 2.667,388 1.686,389 2.088,391 4.043,392 1.645,393 2.867,394 1.917,395 3.874,396 2.491,397 1.544,398 1.96,400 3.627,401 1.455,402 2.794,403 1.738,404 3.643,405 2.432,406 1.439,407 1.801,409 3.032,410 1.427,411 2.564,412 1.511,413 3.611,414 2.277,415 1.315,416 1.467,418 2.815,419 1.261,420 2.156,421 1.292,422 3.283,423 1.881,424 0.945,425 1.067,427 2.016,428 0.872,429 1.739,430 0.94,431 2.918,432 1.544,433 0.596,434 0.639,436 1.146,437 0.56,438 1.618,439 0.897,440 2.826,441 1.468,442 0.553,443 0.602,445 0.937,446 0.499,447 1.549,448 0.777,449 2.652,450 1.248,451 0.314,452 0.331,454 0.46,455 0.292,456 1.351,457 0.524,458 2.601,459 1.075,460 0.133,461 0.165,463 0.221,464 0.123,465 1.08,466 0.238,467 2.471,468 0.876,469 -0.08,470 -0.088,472 -0.167,473 -0.076,474 13.633,475 0.47,476 0.503,477 0.017,478 30.25,479 1.043,480 12.5,481 0.431,482 17.75,483 0.612,484 28.224,485 0.973,486 33.767,487 0.554,488 22.975,489 0.792,490 6.228,491 0.215,492 7.855,493 0.271,494 0.159,496 0.249,501 0.844,502 1.487,503 0.927,504 1.323,505 0.738,506 1.165,507 1.134,508 1.103,509 0.991,510 0.998,511 0.681,512 0.963,513 0.86,514 1.11,515 0.93,516 1.047,517 0.756,518 0.998,519 0.852,520 1.114,521 1.043,522 1.104,523 0.78,524 1.102,525 0.662,526 1.039,527 0.976,528 1.055,529 0.772,530 1.061,531 0.939,532 0.931,533 1.034,534 0.958,535 1.063,536 1.001,537 0.909,538 0.938,539 1.107,540 1.032,541 0.832,542 1.091,543 0.692,544 1.031,545 0.958,546 1.06,547 0.756,548 1.06,549 5,550 0.107,551 2.889,552 1.625,553 1.547,554 0.611,555 0.385,556 0.24,557 0.14,558 0.131,559 12194,560 31621,561 1.957,562 52.5,563 4,564 20,567 1,569 7,572 1.711,573 1.832,574 3.774,575 -0.371,577 1,582 87.733,583 1.438,584 3.347,585 4.746,586 5.238,587 5.435,588 5.435,589 3.19,590 4.513,591 4.836,592 3.992,593 1620.87,594 8.368,595 24869.9,597 1,600 361.775,601 1.384,602 4.785,603 0.167,604 0.005,605 0.076,606 0.04,607 0.043,608 0.019,609 0.014,610 0.01,611 0.007,612 0.007,613 0.387,614 0.33,615 0.88,616 0.943,617 153.923,618 -0.023,619 -0.205,620 0.038,621 -0.103,622 -0.03,623 -0.036,624 -0.117,625 0.034,626 0.009,627 0.046,628 0.023,629 0.052,630 0.084,631 -0.03,632 0.056,633 -0.028,634 0.137,635 0.007,636 0.079,637 -0.081,638 -0.065,639 -0.099,640 0.067,641 -0.106,642 0.08,643 -0.051,644 -0.028,645 -0.068,646 0.101,647 -0.065,648 -0.092,649 0.021,650 -0.072,651 0.002,652 -0.106,653 -0.025,654 -0.087,655 0.027,656 -0.15,657 -0.054,658 -0.099,659 -0.104,660 -0.006,661 -0.117,662 -0.027,663 -0.077,664 -0.044,665 -0.061,666 1.894,667 4.922,668 0.414,669 30.725,670 0.996,671 1.132,672 2.013,673 4.054,674 0.627,675 3.434,676 3.664,677 3.871,678 4.007,679 4.143,680 4.025,681 3.892,682 3.761,683 3.689,684 3.664,685 8.639,686 0.587,687 400.57,688 3.434,689 4.92,690 5.727,691 6.555,692 7.381,693 8.215,694 9.047,695 9.883,696 10.718,697 11.556,698 3.3,701 1,707 1,715 4,720 2,722 6,739 1,741 61,743 10,744 1,745 30,747 62,748 23,749 6,750 2,751 4,752 6,756 2,757 2,763 1,770 4,772 12,773 11,777 4,782 1,784 2,785 1,786 4,790 1,793 32,794 6,795 1,796 6,802 2,808 1,809 4,829 2,839 1,841 1,849 4,855 1,857 1,858 1,859 2,864 3,868 29,875 1,876 8,878 2,881 1,893 6.6,895 1,896 1,897 1,898 1,901 15.833,902 11.6,903 6.917,904 3.854,907 2.149,908 1.317,909 0.901,910 9.956,911 8.931,912 3.638,913 4.086,914 4.562,915 4.948,916 5.351,917 5.304,918 5.277,919 5.215,920 5.179,921 5.147,922 1,923 41,924 10.743,926 4.282,927 0.026,929 7.741,931 20.683,933 15.973,936 2.241,937 65,940 1,941 364.904,942 127.572,943 19.91,945 89.828,948 127.572,949 454.732,950 19.91,951 30.591,952 18.561,953 56.857,954 91.962,955 39.339,957 364.904,959 364.904,960 147.482,961 89.828,964 282.506,965 161.226,966 11,968 47.296,969 75.99,970 24.196,972 364.904,973 109.738,974 127.572,977 364.904,978 40.124,979 90.573,981 106.614,982 364.904,983 109.738,984 127.572,986 0.552,987 0.332,988 0.173,989 0.091,990 13,991 7,992 0.194,993 12,995 1,996 4.174,997 217.83,999 12,1000 140.881,1005 23.178,1006 12.457,1007 7.336,1009 109.738,1010 8.157,1015 2.154,1017 42.683,1018 602.214,1019 37,1024 11.922,1026 2.646,1027 4.314,1028 0.19,1031 60.767,1032 69.062,1034 0.243,1035 0.564,1036 0.8,1037 0.883,1038 0.916,1039 0.916,1040 4.84,1041 1.439,1042 5.666,1043 3.627,1044 4.344,1045 4.771,1046 1.822,1047 6.395,1048 4.266,1049 5.992,1050 1.315,1051 7.18,1052 3.032,1053 3.761,1054 4.407,1055 0.325,1056 7.182,1057 3.647,1058 7.265,1059 0.945,1060 8.797,1061 2.815,1062 5.855,1063 6.805,1064 1.483,1065 10.227,1066 5.712,1067 8.576,1068 0.596,1069 10.477,1070 2.016,1071 6.133,1072 7.295,1073 0.393,1074 11.835,1075 5.95,1076 9.922,1077 0.553,1078 12.196,1079 1.146,1080 7.641,1081 9.143,1082 1.228,1083 14.376,1084 7.441,1085 11.292,1086 0.314,1087 13.941,1088 0.937,1089 8.33,1090 10.039,1091 0.384,1092 16.315,1093 8.094,1094 12.681,1095 0.133,1096 15.703,1097 0.46,1098 9.589,1099 11.645,1100 1.022,1101 18.671,1102 9.34,1103 2.985,1104 -0.08,1105 17.479,1106 0.221,1107 10.478,1108 12.748,1109 0.351,1110 20.756,1111 10.199,1112 2.875,1113 9.34,1114 19.263,1115 -0.167,1116 11.629,1117 14.232,1118 0.85,1119 23.037,1120 11.337,1121 2.408,1122 9.118,1123 21.054,1124 3.845,1125 12.615,1126 15.442,1127 0.312,1128 25.19,1129 12.296,1130 2.38,1131 7.525,1132 22.85,1133 3.805,1134 13.72,1135 16.864,1136 0.704,1137 27.438,1138 13.387,1139 1.831,1140 6.713,1141 24.65,1142 3.009,1143 14.752,1144 18.131,1145 0.273,1146 29.626,1147 14.396,1148 1.686,1149 4.678,1150 26.453,1151 2.467,1152 15.84,1153 19.518,1154 0.58,1155 31.86,1156 15.466,1157 1.544,1158 4.043,1159 28.26,1160 2.38,1161 16.895,1162 20.817,1163 0.236,1164 34.065,1165 16.5,1166 12201,1167 19856,1168 19.474,1169 38.25,1170 42.66,1171 43.78,1172 44.454,1173 41.973,1174 42.008,1175 51.252,1176 6.818,1177 111.344,1178 40.26,1179 5.325,1180 5.589,1181 6.109,1182 4.986,1183 4.985,1184 6.845,1185 1.776,1186 16.023,1187 4.928,1188 16.548,1189 1.422,1190 1.459,1191 1.482,1192 1.399,1193 1.4,1194 1.708,1195 0.227,1196 3.711,1197 1.342,1198 3.958,1199 3.993,1200 3.894,1201 3.866,1202 7.428,1203 3.867,1204 3.898,1205 3.917,1206 3.855,1207 3.779,1208 6.469,1209 3.796,1210 3.747,1211 3.803,1212 3.605,1213 3.615,1214 4.862,1215 3.603,1216 3.591,1217 3.664,1218 3.441,1219 3.412,1220 4.726,1221 3.408,1222 3.384,1223 3.459,1224 3.228,1225 3.198,1226 4.524,1227 3.187,1228 3.25,1229 3.318,1230 3.063,1231 3.005,1232 4.393,1233 3.004,1234 3.245,1235 3.313,1236 3.051,1237 2.977,1238 4.265,1239 2.984,1240 3.127,1241 3.215,1242 3.005,1243 2.938,1244 4.037,1245 2.928,1246 0.146,1247 0.12,1248 0.208,1249 0.132,1250 0.099,1251 4.379,1252 0.128,1253 3.589,1254 0.031,1255 6.246,1256 0.311,1257 3.965,1258 0.098,1259 2.985,1260 3.845,1261 0.916,1262 9.34,1263 2.928,1264 1.913,1265 1.887,1266 2.052,1267 2.032,1268 1.378,1269 2.04,1270 1.834,1271 1.815,1272 2,1273 1.985,1274 1.211,1275 1.98,1276 1.747,1277 1.692,1278 1.894,1279 1.906,1280 1.069,1281 1.914,1282 1.581,1283 1.507,1284 1.838,1285 1.789,1286 0.967,1287 1.81,1288 1.386,1289 1.307,1290 1.698,1291 1.61,1292 0.908,1293 1.641,1294 1.205,1295 1.133,1296 1.573,1297 1.513,1298 0.673,1299 1.533,1300 1.197,1301 1.124,1302 1.561,1303 1.501,1304 0.577,1305 1.523,1306 1.143,1307 1.062,1308 1.467,1309 1.375,1310 0.572,1311 1.413,1312 4.111,1314 5.361,1316 6.81,1318 8.355,1320 9.952,1322 5.309,1327 9.766,1328 7.748,1330 10.371,1333 2.423,1340 35.804,1341 87.733,1342 204.169,1343 289.51,1344 319.51,1345 331.51,1346 331.51,1347 74.804,1348 6.782,1349 71.36,1350 71.36,1351 12,1352 12.124,1353 3.459,1354 3,1355 66.293,1356 156,1357 128,1358 0.203,1359 225.689,1360 409.52,1361 542.442,1362 8660,1364 21.062,1365 0.726,1366 0.61,1367 21.062,1368 17.687,1369 14.083,1370 0.469,1371 0.339,1372 10.021,1373 13.462,1374 9.7,1375 8.158,1376 14.083,1377 10.184,1378 11.422,1379 0.301,1380 0.183,1381 11.422,1382 6.968,1383 9.475,1384 0.202,1385 0.106,1386 9.475,1387 4.959,1388 7.195,1389 0.133,1390 0.06,1391 7.195,1392 3.25,1393 5.492,1394 0.089,1395 0.034,1396 5.492,1397 2.132,1398 0.338,1399 88.951,1400 0.227,1401 28.697,1402 0.504,1403 136,1404 418.647,1405 149.767,1406 392.478,1407 521.23,1408 368,1409 153,1410 360.983,1411 167.462,1412 366.896,1413 527.66,1414 341,1415 7.185}
{0 CHEMBL1940616,1 1.422,2 14.552,3 3.718,4 13.821,5 117.169,6 6.887,7 0.387,8 4.105,9 4.227,10 3.594,11 3.656,12 5.16,13 3.615,14 4.648,15 4.83,16 3.882,17 4.025,18 5.643,19 3.954,20 4.917,21 5.147,22 3.991,23 4.147,24 5.913,25 4.054,26 4.957,27 5.191,28 3.9,29 4.092,30 5.995,31 3.985,32 4.928,33 5.181,34 3.699,35 4.009,36 5.968,37 3.867,38 4.853,39 5.136,40 3.461,41 3.906,42 5.659,43 3.733,44 4.725,45 4.997,46 3.4,47 3.843,48 5.52,49 3.67,50 4.678,51 4.946,52 3.354,53 3.799,54 5.474,55 3.625,56 0.037,57 0.773,58 12.5,59 5.545,60 7.615,61 7.41,62 0.163,63 1.242,64 22.918,65 9.055,66 20.538,67 12.411,68 0.262,69 1.529,70 31.13,71 11.659,72 39.363,73 16.417,74 0.419,75 1.53,76 33.197,77 11.602,78 57.539,79 16.266,80 0.454,81 1.466,82 32.604,83 11.163,84 86.651,85 15.921,86 0.358,87 1.349,88 30.47,89 10.427,90 52.122,91 15.17,92 0.285,93 1.195,94 26.376,95 9.847,96 40.082,97 13.988,98 0.231,99 1.129,100 25.056,101 9.528,102 37.565,103 13.506,104 11,105 40,106 0.234,107 0.555,108 0.725,109 0.835,110 0.875,111 0.898,112 3.406,113 0.984,114 -4.47,115 -4.39,116 -4.14,121 42.1,123 4,126 1,127 3,137 1,140 1,144 8,145 3,146 1,159 2,176 13,180 5,185 4,187 13,192 7,195 1,197 4,200 8,206 5,209 2,211 6,214 4,218 1,219 3,224 5,227 5,232 3,237 1,239 8,244 3,248 1,251 11,256 3,264 10,269 2,274 2,277 8,281 1408,282 20.01,283 20.01,284 20.01,285 20.01,286 20.01,287 18.179,288 19.818,289 12.372,290 20.254,291 15.255,292 15.255,293 15.255,294 15.255,295 15.255,296 12.328,297 24.988,298 5.804,299 15.509,300 4.411,301 2.456,302 1.417,303 0.75,304 0.504,305 0.364,306 4.094,311 1,312 1,313 899,314 3.674,318 292.568,322 151.71,325 2.181,326 28.274,329 1,330 0.83,331 0.83,332 1,333 0.5,334 0.83,335 0.5,336 0.79,337 62,338 422,339 4.545,340 3.718,341 6.759,342 4.204,343 3.19,344 4.151,345 0.86,346 10.98,347 3.232,348 4.192,349 3.356,350 6.129,351 3.805,352 2.837,353 3.8,354 0.657,355 8.98,356 2.746,357 3.799,358 3.133,359 5.854,360 3.436,361 2.43,362 3.158,363 0.4,364 7.839,365 2.45,366 3.551,367 2.432,368 5.277,369 3.143,370 2.119,371 2.806,373 6.305,374 2.153,375 2.993,376 2.218,377 4.415,378 2.883,379 1.904,380 2.122,382 4.362,383 1.866,384 2.957,385 2.15,386 3.969,387 2.67,388 1.711,389 2.109,391 3.766,392 1.636,393 2.917,394 1.867,395 3.844,396 2.508,397 1.534,398 2.076,400 3.336,401 1.494,402 2.842,403 1.646,404 3.681,405 2.456,406 1.474,407 1.865,409 3.099,410 1.436,411 2.575,412 1.482,413 3.644,414 2.371,415 1.381,416 1.57,418 2.941,419 1.366,420 2.525,421 1.35,422 3.576,423 2.064,424 1.075,425 1.494,427 2.566,428 1.059,429 2.312,430 1.262,431 3.395,432 1.996,433 1,434 1.171,436 2.234,437 0.992,438 2.081,439 1.151,440 3.108,441 1.689,442 0.681,443 0.857,445 1.525,446 0.677,447 1.742,448 0.94,449 2.81,450 1.459,451 0.514,452 0.613,454 0.954,455 0.474,456 1.527,457 0.673,458 2.663,459 1.294,460 0.332,461 0.393,463 0.624,464 0.32,465 1.114,466 0.29,467 2.547,468 0.914,469 -0.057,470 -0.065,472 -0.118,473 -0.055,474 13.8,475 0.476,476 0.469,477 0.016,478 34.5,479 1.19,480 17,481 0.586,482 17.5,483 0.603,484 24.473,485 0.844,486 31.8,487 0.558,488 25.228,489 0.87,490 6.909,491 0.238,492 7.294,493 0.252,494 0.085,496 0.254,501 0.728,502 1.218,503 0.868,504 1.105,505 0.548,506 1.015,507 0.964,508 1.111,509 0.995,510 1.055,511 0.633,512 1.025,513 0.82,514 1.055,515 0.852,516 1.003,517 0.747,518 0.939,519 1.15,520 1.08,521 1.026,522 1.04,523 1.129,524 1.02,525 1.117,526 1.062,527 1.101,528 1.03,529 1.172,530 1.055,531 1.033,532 0.875,533 1.061,534 0.895,535 1.003,536 0.961,537 0.848,538 0.88,539 1.036,540 0.977,541 0.855,542 1.024,543 0.836,544 0.979,545 1.018,546 1.026,547 0.879,548 1.048,549 3.5,550 0.078,551 2.889,552 1.813,553 1.44,554 0.563,555 0.263,556 0.193,557 0.148,558 0.117,559 13475,560 33470,561 2.053,562 49.1,563 4,564 18,567 2,569 4,572 1.707,573 1.955,574 3.761,575 0.16,577 1,582 81.075,583 1.422,584 3.376,585 4.416,586 5.083,587 5.328,588 5.469,589 3.178,590 4.582,591 4.836,592 4.008,593 1627.11,594 8.351,595 25253.6,597 1,599 1,600 332.475,601 1.233,602 4.804,603 0.113,604 0.004,605 0.072,606 0.042,607 0.039,608 0.019,609 0.011,610 0.009,611 0.007,612 0.006,613 0.323,614 0.17,615 0.88,616 0.674,617 154.43,618 -0.027,619 -0.027,620 0.035,621 -0.001,622 -0.011,623 0.023,624 -0.087,625 -0.005,626 -0.048,627 -0.021,628 0.002,629 -0.025,630 0.064,631 -0.035,632 0.117,633 -0.009,634 0.096,635 0.052,636 0.014,637 -0.085,638 -0.021,639 -0.077,640 0.024,641 -0.059,642 -0.017,643 -0.087,644 -0.098,645 -0.081,646 0.063,647 -0.097,648 -0.118,649 0.083,650 -0.07,651 0.043,652 -0.108,653 0.004,654 -0.044,655 0.071,656 -0.068,657 -0.002,658 -0.071,659 -0.033,660 -0.049,661 -0.046,662 -0.055,663 -0.039,664 -0.074,665 -0.048,666 1.774,667 5.463,668 0.552,669 31.222,670 0.994,671 1.123,672 3.235,673 10.467,674 0.654,675 3.466,676 3.714,677 3.97,678 4.174,679 4.344,680 4.263,681 4.248,682 4.22,683 4.234,684 4.06,685 8.862,686 0.615,687 392.54,688 3.466,689 4.963,690 5.79,691 6.635,692 7.482,693 8.336,694 9.193,695 10.054,696 10.916,697 11.783,698 3.5,700 2,715 8,720 4,722 12,727 2,739 1,741 57,743 15,744 2,745 31,747 59,748 24,749 12,750 4,751 8,752 4,756 3,757 4,770 4,772 16,773 8,777 3,782 2,784 1,786 3,790 1,793 28,794 5,795 2,796 5,802 2,808 0.667,809 3,829 3,833 1,849 2,853 2,859 2,864 1,868 29,876 7,877 2,878 1,893 5.3,896 2,898 1,901 14.833,902 10.25,903 6.722,904 3.583,907 2.537,908 1.351,909 0.963,910 7.886,911 9.77,912 3.714,913 4.205,914 4.758,915 5.235,916 5.703,917 5.718,918 5.908,919 6.009,920 6.229,921 6.076,922 1,923 43,924 10.777,926 4.471,927 0.026,929 7.73,931 20.764,933 16.669,936 2.23,937 64.667,939 1,940 1,941 306.049,942 140.448,943 36.022,945 61.29,948 140.448,949 367.338,950 36.022,951 10.883,952 16.455,953 121.308,954 63.314,955 25.8,957 306.049,959 306.049,960 176.47,961 61.29,964 258.964,965 108.374,968 52.477,969 111.76,970 12.233,972 306.049,973 97.311,974 140.448,977 306.049,978 44.279,979 96.169,980 36.022,981 61.29,982 306.049,983 97.311,984 140.448,986 0.556,987 0.333,988 0.183,989 0.096,990 16,991 7,992 0.186,993 11,994 1,995 1.125,996 4.296,997 226.126,998 0.125,999 16,1000 140.881,1005 21.132,1006 10.823,1007 5.707,1009 97.311,1010 15.015,1015 3.062,1017 36.022,1018 543.808,1019 40,1024 24.599,1026 1.423,1028 0.205,1031 56.672,1032 64.022,1034 0.244,1035 0.579,1036 0.757,1037 0.871,1038 0.914,1039 0.938,1040 4.913,1041 1.474,1042 5.727,1043 3.336,1044 4.394,1045 4.89,1046 1.298,1047 6.491,1048 4.373,1049 6.07,1050 1.381,1051 7.253,1052 3.099,1053 3.761,1054 4.511,1056 7.353,1057 3.775,1058 7.346,1059 1.075,1060 8.894,1061 2.941,1062 5.922,1063 6.986,1064 0.924,1065 10.488,1066 5.896,1067 8.665,1068 1,1069 10.608,1070 2.566,1071 6.217,1072 7.514,1074 12.249,1075 6.23,1076 10.026,1077 0.681,1078 12.37,1079 2.234,1080 7.767,1081 9.409,1082 0.682,1083 14.886,1084 7.754,1085 11.416,1086 0.514,1087 14.164,1088 1.525,1089 8.514,1090 10.364,1092 16.994,1093 8.534,1094 12.828,1095 0.332,1096 15.98,1097 0.954,1098 9.812,1099 12.008,1100 0.512,1101 19.469,1102 9.821,1103 3.19,1104 -0.057,1105 17.812,1106 0.624,1107 10.774,1108 13.175,1110 21.726,1111 10.81,1112 2.837,1113 10.98,1114 19.656,1115 -0.118,1116 11.97,1117 14.7,1118 0.387,1119 24.144,1120 12.008,1121 2.43,1122 8.98,1123 21.509,1124 4.151,1125 13.032,1126 15.978,1128 26.468,1129 13.091,1130 2.119,1131 7.839,1132 23.369,1133 3.8,1134 14.191,1135 17.445,1136 0.293,1137 28.867,1138 14.259,1139 1.904,1140 6.305,1141 25.235,1142 3.158,1143 15.297,1144 18.782,1146 31.225,1147 15.385,1148 1.711,1149 4.362,1150 27.105,1151 2.806,1152 16.444,1153 20.22,1154 0.221,1155 33.617,1156 16.546,1157 1.534,1158 3.766,1159 28.981,1160 2.122,1161 17.572,1162 21.589,1164 35.992,1165 17.693,1166 12938,1167 20556,1168 20.86,1169 37.273,1170 44.985,1171 46.819,1172 45.99,1173 44.316,1174 44.361,1175 56.377,1176 3.835,1177 119.023,1178 43.799,1179 5.514,1180 5.718,1181 6.668,1182 5.225,1183 5.19,1184 7.151,1185 1.72,1186 18.484,1187 5.232,1188 12.645,1189 1.451,1190 1.51,1191 1.484,1192 1.43,1193 1.431,1194 1.819,1195 0.124,1196 3.839,1197 1.413,1198 4.025,1199 4.042,1200 3.987,1201 3.953,1202 7.437,1203 3.958,1204 3.931,1205 3.96,1206 3.867,1207 3.853,1208 7.419,1209 3.852,1210 3.755,1211 3.819,1212 3.606,1213 3.626,1214 4.864,1215 3.611,1216 3.588,1217 3.653,1218 3.482,1219 3.447,1220 4.693,1221 3.45,1222 3.447,1223 3.506,1224 3.304,1225 3.284,1226 4.397,1227 3.278,1228 3.249,1229 3.315,1230 3.115,1231 3.048,1232 4.362,1233 3.041,1234 3.228,1235 3.306,1236 3.064,1237 2.963,1238 4.252,1239 2.975,1240 3.123,1241 3.125,1242 3.028,1243 2.933,1244 3.99,1245 2.957,1246 0.147,1247 0.12,1248 0.218,1249 0.136,1250 0.103,1251 4.545,1252 0.134,1253 3.718,1254 0.028,1255 6.759,1256 0.354,1257 4.204,1258 0.104,1259 3.19,1260 4.151,1261 0.86,1262 10.98,1263 3.232,1264 1.979,1265 1.966,1266 2.061,1267 2.068,1268 1.371,1269 2.064,1270 1.907,1271 1.882,1272 2.037,1273 2.018,1274 1.176,1275 2.025,1276 1.764,1277 1.701,1278 1.994,1279 1.926,1280 1.154,1281 1.953,1282 1.566,1283 1.513,1284 1.796,1285 1.766,1286 1.053,1287 1.78,1288 1.434,1289 1.375,1290 1.627,1291 1.617,1292 0.756,1293 1.626,1294 1.222,1295 1.147,1296 1.573,1297 1.513,1298 0.655,1299 1.533,1300 1.195,1301 1.119,1302 1.506,1303 1.447,1304 0.574,1305 1.471,1306 1.029,1307 1.011,1308 1.324,1309 1.255,1310 0.544,1311 1.267,1312 4.143,1314 5.407,1316 6.882,1318 8.468,1320 10.116,1322 1.693,1328 6.722,1329 6.592,1330 5.355,1340 35.036,1341 81.075,1342 192.459,1343 251.72,1344 289.72,1345 303.72,1346 311.72,1347 63.919,1348 7.233,1349 67.43,1350 67.43,1351 18,1352 12.33,1353 4,1354 3.322,1355 53.289,1356 160,1357 120,1358 0.158,1359 218.037,1360 389.49,1361 523.771,1362 16449,1364 20.476,1365 0.706,1366 0.582,1367 20.476,1368 16.871,1369 14.203,1370 0.458,1371 0.328,1372 10.054,1373 13.774,1374 9.819,1375 8.207,1376 14.203,1377 10.167,1378 11.709,1379 0.293,1380 0.178,1381 11.709,1382 7.127,1383 9.94,1384 0.191,1385 0.097,1386 9.94,1387 5.061,1388 8.044,1389 0.126,1390 0.054,1391 8.044,1392 3.47,1393 6.335,1394 0.083,1395 0.03,1396 6.335,1397 2.304,1398 0.265,1399 88.44,1400 0.219,1401 28.841,1402 0.387,1403 142,1404 401.872,1405 152.194,1406 386.301,1407 520.07,1408 362,1409 163,1410 366.635,1411 173.695,1412 374.583,1413 544.28,1414 352,1415 5.733}
{0 CHEMBL1940617,1 1.461,2 10.15,3 1.719,4 2.954,5 81.319,6 6.809,7 0.286,8 3.748,9 3.881,10 3.214,11 3.295,12 4.824,13 3.25,14 4.284,15 4.472,16 3.505,17 3.669,18 5.303,19 3.587,20 4.59,21 4.843,22 3.61,23 3.77,24 5.624,25 3.671,26 4.553,27 4.797,28 3.514,29 3.662,30 5.675,31 3.565,32 4.461,33 4.711,34 3.292,35 3.505,36 5.659,37 3.39,38 4.296,39 4.564,40 2.991,41 3.356,42 5.237,43 3.208,44 4.175,45 4.442,46 2.905,47 3.279,48 5.107,49 3.126,50 4.077,51 4.335,52 2.82,53 3.204,54 5.01,55 3.052,56 0.037,57 0.56,58 8.865,59 3.789,60 7.909,61 5.21,62 0.074,63 0.88,64 15.826,65 6.396,66 15.593,67 8.989,68 0.221,69 1.063,70 22.758,71 8.086,72 37.156,73 11.733,74 0.256,75 0.982,76 22.247,77 7.482,78 48.251,79 10.725,80 0.359,81 0.867,82 20.679,83 6.504,84 79.577,85 9.397,86 0.226,87 0.749,88 17.368,89 5.571,90 43.13,91 8.207,92 0.201,93 0.671,94 15.223,95 5.245,96 35.198,97 7.574,98 0.151,99 0.601,100 13.681,101 4.882,102 30.215,103 6.982,104 17,105 27,106 0.263,107 0.583,108 0.715,109 0.814,110 0.85,111 0.886,112 3.056,113 1.011,114 -3.41,115 -3.39,116 -3.24,121 40,123 4,127 2,137 1,140 1,144 4,145 2,159 2,165 1,166 1,167 1,176 9,180 3,185 3,187 9,189 1,192 5,195 1,197 3,200 6,203 1,206 4,209 1,211 4,214 3,216 1,218 1,219 3,224 4,227 3,229 1,232 2,237 1,239 4,244 2,248 1,250 1,251 6,256 2,264 6,269 1,274 1,277 5,279 1,281 544,282 13.665,283 13.665,284 13.665,285 13.665,286 13.665,287 12.585,288 10.44,289 8.595,290 13.691,291 10.338,292 10.338,293 10.338,294 10.338,295 10.338,296 8.543,297 11.213,298 4.059,299 10.35,300 3.861,301 2.085,302 1.35,303 0.8,304 0.6,305 0.4,306 3.719,310 1,311 1,312 1,313 420,314 3.082,318 104.657,322 89.387,325 1.465,326 24.346,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 43,338 203,339 4.545,340 3.718,341 6.759,342 4.204,343 3.19,344 4.151,345 0.4,346 10.98,347 3.232,348 3.799,349 3.356,350 5.854,351 3.436,352 2.43,353 3.158,355 7.839,356 2.45,357 3.551,358 2.432,359 5.277,360 3.143,361 2.119,362 2.806,364 6.305,365 2.153,366 2.962,367 2.152,368 3.964,369 2.843,370 1.849,371 2.11,373 3.708,374 1.838,375 2.842,376 1.837,377 3.796,378 2.519,379 1.531,380 1.85,382 3.248,383 1.509,384 2.545,385 1.471,386 3.671,387 2.354,388 1.365,389 1.522,391 2.763,392 1.348,393 2.476,394 1.35,395 3.514,396 2.046,397 1.032,398 1.449,400 2.521,401 1.043,402 2.262,403 1.261,404 3.244,405 1.871,406 0.885,407 1.024,409 1.785,410 0.866,411 1.842,412 0.972,413 2.797,414 1.539,415 0.501,416 0.653,418 1.025,419 0.514,420 1.229,421 0.371,422 2.567,423 1.045,424 0.062,425 0.071,427 0.111,428 0.061,429 0.927,430 0.125,431 2.18,432 0.556,433 -0.432,434 -0.495,436 -0.909,437 -0.426,438 0.709,439 -0.299,440 2,441 0.441,442 -0.593,443 -0.718,445 -1.328,446 -0.6,447 0.608,448 -0.626,449 1.664,450 0.146,451 -0.882,452 -1.11,454 -1.876,455 -0.895,456 0.302,457 -0.749,458 1.563,459 0.126,460 -0.889,461 -1.32,463 -2.127,464 -0.909,465 -0.063,466 -1.074,467 1.377,468 -0.286,469 -1.285,470 -1.417,472 -2.639,473 -1.291,474 9.467,475 0.473,476 0.35,477 0.017,478 22.25,479 1.113,480 10.5,481 0.525,482 11.75,483 0.588,484 15.673,485 0.784,486 22.333,487 0.558,488 15.193,489 0.76,490 4.296,491 0.215,492 5.44,493 0.272,494 0.113,496 0.264,501 0.703,502 1.144,503 0.9,504 1.052,505 0.613,506 0.999,507 0.682,508 1.194,509 0.957,510 1.168,511 0.582,512 1.104,513 0.758,514 0.931,515 0.775,516 0.91,517 0.721,518 0.85,519 1.116,520 1.017,521 0.913,522 0.996,523 1.14,524 0.937,525 1.324,526 0.972,527 1.06,528 0.945,529 1.3,530 0.963,531 1.257,532 0.933,533 1.123,534 0.931,535 1.204,536 0.993,537 1.025,538 0.819,539 1.071,540 0.937,541 1.025,542 0.998,543 1.056,544 0.923,545 1.071,546 0.998,547 1.095,548 1.034,549 2.5,550 0.058,551 2,552 1.438,553 1.138,554 0.41,555 0.202,556 0.149,557 0.115,558 0.091,559 3763,560 9267,561 1.995,562 50,563 4,564 9,567 3,569 4,572 1.613,573 1.875,574 3.261,575 1.054,577 1,579 1,582 58.439,583 1.461,584 3.237,585 3.972,586 4.522,587 4.722,588 4.922,589 2.746,590 3.922,591 4.283,592 3.414,593 648.687,594 7.298,595 6802.06,596 1,597 1,599 1,600 212.877,601 1.353,602 4.255,603 0.119,604 0.006,605 0.074,606 0.05,607 0.046,608 0.022,609 0.014,610 0.011,611 0.01,612 0.008,613 0.36,614 0.5,615 1,616 2.139,617 90.172,618 -0.073,619 0.103,620 0.002,621 0.081,622 -0.05,623 0.061,624 -0.023,625 -0.074,626 -0.041,627 -0.092,628 0.016,629 -0.069,630 0.097,631 0.054,632 0.19,633 0.076,634 0.086,635 0.139,636 0.032,637 -0.057,638 0.086,639 -0.033,640 0.02,641 0.025,642 0.009,643 -0.034,644 -0.038,645 -0.012,646 0.062,647 -0.027,648 -0.176,649 0.017,650 -0.129,651 0.001,652 -0.161,653 -0.048,654 -0.079,655 0.138,656 -0.097,657 0.018,658 -0.107,659 -0.033,660 -0.116,661 0.016,662 -0.104,663 -0.017,664 -0.13,665 -0.052,666 1.772,667 5.229,668 0.5,669 17.52,670 0.995,671 1.129,672 2.179,673 4.75,674 0.644,675 3.091,676 3.332,677 3.584,678 3.807,679 4.007,680 3.97,681 3.97,682 3.951,683 3.97,684 3.714,685 5.755,686 0.605,687 272.38,688 3.091,689 4.575,690 5.398,691 6.248,692 7.102,693 7.969,694 8.839,695 9.716,696 10.594,697 11.476,698 5,699 1,700 1,715 4,720 2,722 6,727 2,741 40,743 9,744 1,745 21,747 41,748 16,749 6,750 2,751 4,752 4,756 2,757 3,763 1,770 4,772 10,773 6,777 3,782 2,784 1,786 3,789 1,790 1,793 20,794 4,795 3,796 4,802 2,808 0.5,809 2,829 2,833 1,849 2,851 1,853 1,859 1,868 20,869 1,876 6,877 1,893 5,896 2,901 10.667,902 6.833,903 4.694,904 2.604,907 1.765,908 1.278,909 0.958,910 5.221,911 8.112,912 3.332,913 3.795,914 4.353,915 4.843,916 5.337,917 5.457,918 5.706,919 5.85,920 6.103,921 5.923,922 0.857,923 29,924 7.443,926 3.11,927 0.026,929 7.892,931 14.196,933 11.424,936 2.392,937 47.833,938 0.001,941 200.109,942 81.126,943 50.908,945 50.29,948 81.126,949 250.399,950 50.908,952 47.247,953 65.392,954 63.314,955 6.371,957 200.109,959 200.109,960 132.034,961 50.29,964 153.024,965 97.374,968 65.257,969 54.543,970 12.233,972 200.109,973 101.198,974 81.126,977 200.109,978 33.744,979 47.381,980 18.011,981 83.187,982 200.109,983 101.198,984 81.126,986 0.551,987 0.323,988 0.175,989 0.095,990 11,991 5,992 0.171,993 7,994 1,995 1.2,996 3.289,997 137.515,998 0.2,999 10,1000 86.439,1005 14.639,1006 7.133,1007 3.635,1009 101.198,1010 6.939,1015 0.983,1017 50.908,1018 382.432,1019 27,1024 24.162,1026 1.407,1028 0.209,1031 39.811,1032 45.152,1034 0.275,1035 0.608,1036 0.746,1037 0.85,1038 0.887,1039 0.925,1040 4.527,1041 0.885,1042 5.342,1043 2.521,1044 4.007,1045 4.477,1046 0.278,1047 6.125,1048 4.015,1049 5.684,1050 0.501,1051 6.88,1052 1.785,1053 3.434,1054 4.159,1056 7.029,1057 3.49,1058 6.965,1059 0.062,1060 8.537,1061 1.025,1062 5.541,1063 6.563,1064 0.05,1065 10.191,1066 5.567,1067 8.292,1068 -0.432,1069 10.268,1070 0.111,1071 5.889,1072 7.156,1074 11.983,1075 5.968,1076 9.662,1077 -0.593,1078 12.047,1079 -0.909,1080 7.416,1081 9,1082 0.008,1083 14.657,1084 7.473,1085 11.062,1086 -0.882,1087 13.857,1088 -1.328,1089 8.211,1090 10.018,1092 16.793,1093 8.31,1094 12.487,1095 -0.889,1096 15.69,1097 -1.876,1098 9.505,1099 11.63,1100 0.001,1101 19.3,1102 9.596,1103 3.19,1104 -1.285,1105 17.538,1106 -2.127,1107 10.508,1108 12.852,1110 21.581,1111 10.628,1112 2.43,1113 10.98,1114 19.397,1115 -2.639,1116 11.712,1117 14.363,1119 24.023,1120 11.835,1121 2.119,1122 7.839,1123 21.265,1124 4.151,1125 12.804,1126 15.685,1128 26.367,1129 12.949,1130 1.849,1131 6.305,1132 23.14,1133 3.158,1134 13.977,1135 17.15,1137 28.783,1138 14.129,1139 1.531,1140 3.708,1141 25.021,1142 2.806,1143 15.107,1144 18.522,1146 31.155,1147 15.277,1148 1.365,1149 3.248,1150 26.906,1151 2.11,1152 16.27,1153 19.965,1155 33.559,1156 16.45,1157 1.032,1158 2.763,1159 28.795,1160 1.85,1161 17.416,1162 21.362,1164 35.944,1165 17.612,1166 3870,1167 6205,1168 13.811,1169 25.773,1170 30.505,1171 32.126,1172 31.464,1173 29.903,1174 29.928,1175 37.59,1176 0.8,1177 80.568,1178 30.026,1179 5.49,1180 5.718,1181 6.722,1182 5.204,1183 5.19,1184 7.151,1185 0.8,1186 18.484,1187 5.232,1188 9.533,1189 1.453,1190 1.53,1191 1.498,1192 1.424,1193 1.425,1194 1.79,1195 0.038,1196 3.837,1197 1.43,1198 4.021,1199 4.036,1200 3.985,1201 3.95,1202 7.437,1203 3.955,1204 3.762,1205 3.83,1206 3.606,1207 3.628,1208 7.419,1209 3.613,1210 3.584,1211 3.649,1212 3.476,1213 3.444,1214 5.007,1215 3.447,1216 3.423,1217 3.486,1218 3.262,1219 3.256,1220 4.694,1221 3.245,1222 3.152,1223 3.22,1224 3.103,1225 2.942,1226 4.357,1227 2.971,1228 3.077,1229 3.106,1230 2.895,1231 2.84,1232 4.034,1233 2.838,1234 2.783,1235 2.882,1236 2.613,1237 2.61,1238 3.719,1239 2.601,1240 2.675,1241 2.724,1242 2.53,1243 2.456,1244 3.627,1245 2.475,1246 0.216,1247 0.177,1248 0.322,1249 0.2,1250 0.152,1251 4.545,1252 0.198,1253 3.718,1254 0.019,1255 6.759,1256 0.523,1257 4.204,1258 0.154,1259 3.19,1260 4.151,1261 0.4,1262 10.98,1263 3.232,1264 1.979,1265 1.966,1266 2.06,1267 2.068,1268 1.363,1269 2.064,1270 1.766,1271 1.701,1272 2.012,1273 1.937,1274 1.163,1275 1.967,1276 1.562,1277 1.509,1278 1.797,1279 1.766,1280 1.051,1281 1.781,1282 1.415,1283 1.353,1284 1.618,1285 1.603,1286 0.717,1287 1.614,1288 1.092,1289 1.027,1290 1.426,1291 1.384,1292 0.579,1293 1.402,1294 1.008,1295 0.96,1296 1.195,1297 1.231,1298 0.253,1299 1.2,1300 0.762,1301 0.691,1302 1.132,1303 1.07,1304 0.229,1305 1.097,1306 0.635,1307 0.574,1308 0.941,1309 0.881,1310 0.059,1311 0.896,1312 3.761,1314 5.017,1316 6.494,1318 8.093,1320 9.766,1326 5.432,1328 5.622,1329 3.079,1340 24.214,1341 58.439,1342 129.493,1343 158.877,1344 180.877,1345 188.877,1346 196.877,1347 45.92,1348 6.347,1349 72.19,1350 72.19,1351 12,1352 12.012,1353 3.322,1354 2.807,1355 36.737,1356 66,1357 88,1358 0.271,1359 153.478,1360 273.48,1361 366.246,1362 4152,1364 14.372,1365 0.719,1366 0.576,1367 14.372,1368 11.523,1369 9.736,1370 0.464,1371 0.337,1372 7.013,1373 9.489,1374 6.887,1375 5.755,1376 9.736,1377 7.075,1378 8.001,1379 0.296,1380 0.182,1381 8.001,1382 4.927,1383 6.628,1384 0.189,1385 0.097,1386 6.628,1387 3.404,1388 5.332,1389 0.121,1390 0.052,1391 5.332,1392 2.293,1393 4.269,1394 0.079,1395 0.028,1396 4.269,1397 1.513,1398 0.429,1399 60.381,1400 0.269,1401 20.333,1402 0.725,1403 96,1404 273.116,1405 102.622,1406 265.091,1407 352.39,1408 246,1409 110,1410 246.385,1411 116.706,1412 250.579,1413 366.4,1414 237,1415 4.19}
{0 CHEMBL1940618,1 1.431,2 14.912,3 2.782,4 7.737,5 136.636,6 6.86,7 0.316,8 4.288,9 4.411,10 3.794,11 3.834,12 5.278,13 3.797,14 4.885,15 5.072,16 4.153,17 4.259,18 5.807,19 4.199,20 5.206,21 5.432,22 4.271,23 4.455,24 6.114,25 4.36,26 5.321,27 5.57,28 4.19,29 4.472,30 6.214,31 4.339,32 5.316,33 5.581,34 4.095,35 4.432,36 6.207,37 4.277,38 5.278,39 5.558,40 3.964,41 4.335,42 6.059,43 4.177,44 5.133,45 5.399,46 3.836,47 4.218,48 5.949,49 4.06,50 5.017,51 5.3,52 3.724,53 4.126,54 5.762,55 3.951,56 0.039,57 0.956,58 15.101,59 6.506,60 8.638,61 8.866,62 0.232,63 1.636,64 29.267,65 10.719,66 23.168,67 15.174,68 0.378,69 2.128,70 41.437,71 14.806,72 44.215,73 21.33,74 0.579,75 2.241,76 47.603,77 17.216,78 64.256,79 24.466,80 0.482,81 2.174,82 47.487,83 17.573,84 87.998,85 25.237,86 0.509,87 2.073,88 46.554,89 15.85,90 61.232,91 23.103,92 0.504,93 1.807,94 40.065,95 13.764,96 60.213,97 19.891,98 0.434,99 1.627,100 35.396,101 12.922,102 45.411,103 18.909,104 11,105 53,106 0.226,107 0.529,108 0.698,109 0.778,110 0.835,111 0.844,112 3.56,113 0.976,114 -4.11,115 -4.06,116 -3.84,121 41.8,123 4,126 1,127 5,129 2,137 1,140 1,144 8,145 3,146 1,159 2,176 10,180 12,185 3,187 13,192 8,195 1,197 1,200 7,205 2,206 7,209 2,211 2,214 10,218 1,219 5,224 2,227 5,232 8,237 3,239 8,243 1,244 2,251 6,255 2,256 4,259 1,264 6,269 5,277 4,281 2060,282 23.455,283 23.455,284 23.455,285 23.455,286 23.455,287 21.624,288 33.173,289 13.779,290 23.845,291 18.692,292 18.692,293 18.692,294 18.692,295 18.692,296 15.786,297 55.689,298 6.448,299 19.21,300 4.636,301 2.725,302 1.653,303 1.146,304 0.787,305 0.728,306 4.271,312 1,313 1120,314 2.915,318 561.396,322 175.637,325 2.516,326 31.223,329 1,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.98,337 72.5,338 507,339 4.547,340 3.721,341 6.762,342 4.209,343 3.196,344 4.152,345 0.916,346 10.995,347 3.235,348 4.207,349 3.357,350 6.171,351 3.873,352 2.919,353 3.805,354 0.86,355 9.163,356 2.79,357 3.902,358 3.209,359 6.138,360 3.796,361 2.84,362 3.179,363 0.8,364 9.039,365 2.709,366 3.811,367 3.108,368 5.888,369 3.536,370 2.561,371 2.881,372 0.4,373 8.091,374 2.504,375 3.56,376 2.742,377 5.41,378 3.328,379 2.361,380 2.807,381 0.172,382 6.909,383 2.319,384 3.448,385 2.61,386 5.305,387 3.2,388 2.215,389 2.488,391 6.728,392 2.142,393 3.26,394 2.332,395 5.131,396 3.057,397 2.055,398 2.309,400 6.065,401 2.034,402 2.917,403 1.984,404 4.402,405 2.54,406 1.585,407 2.088,409 4.285,410 1.512,411 2.915,412 1.856,413 4.254,414 2.462,415 1.49,416 2.05,418 3.844,419 1.439,420 2.834,421 1.59,422 3.849,423 2.423,424 1.426,425 1.936,427 3.147,428 1.42,429 2.536,430 1.466,431 3.667,432 2.304,433 1.334,434 1.506,436 3.015,437 1.289,438 2.446,439 1.35,440 3.62,441 2.04,442 1.023,443 1.434,445 2.552,446 1.037,447 2.259,448 1.261,449 3.414,450 1.984,451 1,452 1,454 2.275,455 0.983,456 2,457 1.077,458 3.414,459 1.984,460 1,461 1,463 2.275,464 0.983,465 2,466 1.077,467 3.408,468 1.662,469 0.61,470 0.884,472 1.542,473 0.632,474 16.2,475 0.476,476 0.725,477 0.021,478 39,479 1.147,480 17,481 0.5,482 22,483 0.647,484 34.08,485 1.002,486 37.2,487 0.555,488 29.596,489 0.87,490 7.563,491 0.222,492 9.055,493 0.266,494 0.072,496 0.327,501 0.724,502 1.357,503 0.845,504 1.146,505 0.521,506 1.028,507 1.057,508 1.136,509 0.992,510 0.993,511 0.584,512 0.97,513 0.933,514 1.087,515 1.003,516 1.035,517 0.688,518 1.015,519 0.959,520 0.973,521 1.035,522 1.031,523 0.919,524 1.04,525 0.791,526 1.056,527 0.951,528 1.05,529 0.889,530 1.029,531 1.099,532 0.931,533 1.019,534 0.919,535 1.017,536 0.949,537 1.153,538 0.972,539 1.107,540 0.968,541 1.168,542 1.022,543 0.636,544 0.899,545 0.939,546 0.94,547 0.724,548 0.974,549 6,550 0.19,551 4,552 2.188,553 2.044,554 1.049,555 0.663,556 0.391,557 0.316,558 0.214,559 20102,560 46123,561 2.145,562 49.3,564 24,567 1,570 8,572 1.752,573 2.04,574 3.82,575 -0.421,582 95.847,583 1.431,584 3.341,585 4.413,586 4.92,587 5.279,588 5.338,589 3.271,590 4.55,591 5.06,592 4.048,593 2270.8,594 8.827,595 36854,600 406.428,601 1.286,602 5.033,603 0.158,604 0.006,605 0.075,606 0.038,607 0.041,608 0.023,609 0.017,610 0.011,611 0.01,612 0.007,613 0.387,614 0.33,615 0.88,616 0.608,617 186.476,618 -0.001,619 -0.149,620 0.069,621 -0.041,622 0.009,623 0.012,624 -0.114,625 0.014,626 -0.026,627 0.019,628 0.017,629 0.013,630 -0.025,631 -0.013,632 -0.029,633 -0.051,634 0.075,635 -0.037,636 0.034,637 0.019,638 -0.047,639 -0.054,640 0.043,641 -0.061,642 0.068,643 -0.113,644 0.023,645 -0.063,646 0.108,647 -0.032,648 -0.096,649 0.019,650 -0.019,651 0.028,652 -0.079,653 0.018,654 -0.1,655 -0.007,656 -0.107,657 -0.014,658 -0.118,659 -0.056,660 0.097,661 0.054,662 0.029,663 0.03,664 -0.02,665 0.019,666 1.755,667 5.844,668 0.824,669 42.505,670 0.993,671 1.125,672 2.883,673 8.311,674 0.654,675 3.664,676 3.989,677 4.29,678 4.543,679 4.796,680 4.812,681 4.927,682 5.063,683 5.215,684 5.273,685 8.84,686 0.614,687 459.64,688 3.664,689 5.209,690 6.071,691 6.948,692 7.821,693 8.701,694 9.578,695 10.459,696 11.338,697 12.22,698 4.5,700 1,701 2,715 8,720 4,722 12,727 2,739 1,741 67,743 15,744 2,745 38,747 71,748 28,749 12,750 4,751 8,752 4,756 5,757 6,767 6,770 6,772 16,773 12,777 3,782 2,784 1,786 3,793 33,794 6,795 1,796 6,802 3,808 0.8,809 3,829 5,833 1,849 2,853 1,855 2,859 4,864 1,868 34,876 9,877 1,878 1,880 2,881 2,893 4.5,896 2,898 1,901 16.667,902 12.067,903 7.5,904 4.275,907 2.603,908 1.307,909 0.985,910 7.028,911 11.09,912 3.871,913 4.382,914 4.916,915 5.388,916 5.86,917 5.923,918 6.158,919 6.357,920 6.633,921 6.67,922 0.9,923 57,924 12.697,926 5.497,927 0.026,929 7.613,931 24.911,933 21.328,936 2.113,937 71.833,941 376.675,942 144.66,943 24.259,945 61.29,948 144.66,949 437.965,950 24.259,951 10.883,952 20.667,953 103.297,954 63.314,955 32.049,957 376.675,959 376.675,960 168.919,961 61.29,964 282.506,965 155.459,968 44.926,969 111.76,970 12.233,972 376.675,973 85.549,974 144.66,977 376.675,978 48.491,979 102.418,980 18.011,981 61.29,982 376.675,983 85.549,984 144.66,986 0.58,987 0.352,988 0.192,989 0.105,990 26,991 11,992 0.085,993 6,994 1,995 1.071,996 4.625,997 315.91,998 0.071,999 28,1000 164.974,1005 23.134,1006 10.33,1007 5.088,1009 85.549,1010 15.365,1015 3.235,1017 18.011,1018 606.884,1019 47,1024 25.275,1026 1.481,1028 0.293,1031 66.541,1032 75.351,1034 0.236,1035 0.551,1036 0.727,1037 0.811,1038 0.87,1039 0.88,1040 5.13,1041 1.585,1042 6.047,1043 6.065,1044 4.673,1045 5.069,1046 1.661,1047 6.858,1048 4.627,1049 6.294,1050 1.49,1051 7.605,1052 4.285,1053 4.205,1054 4.745,1055 0.57,1056 7.748,1057 4.145,1058 7.582,1059 1.426,1060 9.263,1061 3.844,1062 6.267,1063 7.119,1064 1.271,1065 10.85,1066 6.182,1067 8.901,1068 1.334,1069 10.98,1070 3.147,1071 6.635,1072 7.647,1073 0.581,1074 12.565,1075 6.547,1076 10.255,1077 1.023,1078 12.736,1079 3.015,1080 8.139,1081 9.493,1082 1.026,1083 15.18,1084 8.031,1085 11.633,1086 1,1087 14.517,1088 2.552,1089 8.897,1090 10.436,1091 0.515,1092 17.243,1093 8.796,1094 13.031,1095 1,1096 16.317,1097 2.275,1098 10.171,1099 12.057,1100 0.841,1101 19.693,1102 10.06,1103 3.196,1104 0.61,1105 18.132,1106 2.275,1107 11.12,1108 13.216,1109 0.441,1110 21.917,1111 11.022,1112 2.919,1113 10.995,1114 19.957,1115 1.542,1116 12.299,1117 14.73,1118 0.689,1119 24.313,1120 12.2,1121 2.84,1122 9.163,1123 21.791,1124 4.152,1125 13.341,1126 16.002,1127 0.373,1128 26.615,1129 13.259,1130 2.561,1131 9.039,1132 23.633,1133 3.805,1134 14.484,1135 17.463,1136 0.564,1137 28.995,1138 14.41,1139 2.361,1140 8.091,1141 25.482,1142 3.179,1143 15.572,1144 18.798,1145 0.314,1146 31.337,1147 15.517,1148 2.215,1149 6.909,1150 27.337,1151 2.881,1152 16.704,1153 20.233,1154 0.461,1155 33.716,1156 16.664,1157 2.055,1158 6.728,1159 29.197,1160 2.807,1161 17.816,1162 21.601,1163 0.264,1164 36.08,1165 17.796,1166 18548,1167 28269,1168 25.948,1169 43.802,1170 57.272,1171 59.104,1172 58.378,1173 56.581,1174 56.584,1175 68.591,1176 6.298,1177 162.357,1178 55.279,1179 5.547,1180 5.721,1181 6.456,1182 5.247,1183 5.196,1184 7.152,1185 1.776,1186 18.509,1187 5.235,1188 13.933,1189 1.507,1190 1.555,1191 1.536,1192 1.489,1193 1.489,1194 1.805,1195 0.166,1196 4.273,1197 1.455,1198 4.044,1199 4.076,1200 3.996,1201 3.96,1202 7.437,1203 3.965,1204 3.961,1205 3.994,1206 3.891,1207 3.868,1208 7.419,1209 3.868,1210 3.876,1211 3.919,1212 3.781,1213 3.751,1214 4.863,1215 3.75,1216 3.725,1217 3.787,1218 3.602,1219 3.583,1220 4.695,1221 3.578,1222 3.515,1223 3.556,1224 3.431,1225 3.395,1226 4.447,1227 3.398,1228 3.251,1229 3.326,1230 3.135,1231 3.073,1232 4.389,1233 3.073,1234 3.249,1235 3.314,1236 3.085,1237 2.965,1238 4.296,1239 2.977,1240 3.134,1241 3.206,1242 3.061,1243 2.941,1244 4.092,1245 2.966,1246 0.12,1247 0.098,1248 0.178,1249 0.111,1250 0.084,1251 4.547,1252 0.109,1253 3.721,1254 0.024,1255 6.762,1256 0.289,1257 4.209,1258 0.085,1259 3.196,1260 4.152,1261 0.916,1262 10.995,1263 3.235,1264 1.982,1265 1.968,1266 2.102,1267 2.102,1268 1.476,1269 2.105,1270 1.929,1271 1.896,1272 2.055,1273 2.059,1274 1.337,1275 2.058,1276 1.863,1277 1.812,1278 2.014,1279 1.994,1280 1.156,1281 2.002,1282 1.719,1283 1.659,1284 1.933,1285 1.888,1286 1.134,1287 1.906,1288 1.486,1289 1.453,1290 1.628,1291 1.644,1292 0.825,1293 1.643,1294 1.231,1295 1.16,1296 1.573,1297 1.514,1298 0.825,1299 1.534,1300 1.195,1301 1.121,1302 1.513,1303 1.448,1304 0.76,1305 1.465,1306 1.153,1307 1.064,1308 1.513,1309 1.376,1310 0.681,1311 1.429,1312 4.344,1314 5.666,1316 7.198,1318 8.821,1320 10.49,1322 1.737,1328 9.539,1329 3.391,1330 5.513,1332 0.856,1333 5.148,1340 41.111,1341 95.847,1342 223.857,1343 295.673,1344 329.673,1345 353.673,1346 357.673,1347 64.072,1348 8.487,1349 61.88,1350 61.88,1351 30,1352 12.755,1353 4,1354 3.322,1355 50.497,1356 185,1357 154,1358 0.132,1359 248.414,1360 444.97,1361 597.89,1362 71068,1364 23.493,1365 0.691,1366 0.583,1367 23.493,1368 19.834,1369 16.619,1370 0.437,1371 0.325,1372 12.218,1373 16.066,1374 11.949,1375 9.83,1376 16.619,1377 12.367,1378 14.69,1379 0.277,1380 0.181,1381 14.69,1382 9.571,1383 13.012,1384 0.181,1385 0.104,1386 13.012,1387 7.506,1388 10.854,1389 0.117,1390 0.06,1391 10.854,1392 5.569,1393 9.121,1394 0.076,1395 0.035,1396 9.121,1397 4.163,1398 0.216,1399 103.577,1400 0.196,1401 32.195,1402 0.34,1403 182,1404 466.83,1405 195.636,1406 448.214,1407 613.31,1408 422,1409 216,1410 443.367,1411 231.025,1412 451.155,1413 662.65,1414 425,1415 4.764}
{0 CHEMBL1940619,1 1.436,2 13.968,3 2.622,4 6.873,5 125.031,6 6.74,7 0.176,8 4.22,9 4.339,10 3.706,11 3.73,12 5.213,13 3.695,14 4.828,15 5.018,16 4.048,17 4.149,18 5.744,19 4.091,20 5.121,21 5.337,22 4.177,23 4.367,24 6.037,25 4.267,26 5.265,27 5.51,28 4.104,29 4.421,30 6.121,31 4.274,32 5.319,33 5.594,34 4.011,35 4.387,36 6.197,37 4.217,38 5.236,39 5.523,40 3.831,41 4.225,42 6.029,43 4.061,44 4.975,45 5.239,46 3.673,47 4.053,48 5.752,49 3.905,50 4.868,51 5.124,52 3.62,53 4.022,54 5.623,55 3.859,56 0.018,57 0.874,58 14.56,59 6.282,60 8.141,61 8.482,62 0.265,63 1.465,64 28.449,65 10.164,66 27.161,67 14.316,68 0.43,69 1.88,70 38.392,71 14.181,72 49.026,73 20.166,74 0.542,75 2.056,76 44.844,77 16.674,78 56.62,79 23.881,80 0.565,81 2.084,82 47.971,83 17.125,84 90.673,85 25.028,86 0.59,87 1.856,88 45.088,89 14.433,90 73.629,91 21.375,92 0.49,93 1.473,94 34.399,95 11.559,96 50.507,97 16.598,98 0.251,99 1.347,100 29.997,101 11.622,102 34.403,103 16.435,104 21,105 47,106 0.232,107 0.52,108 0.716,109 0.782,110 0.828,111 0.834,112 3.471,113 0.992,114 -3.66,115 -3.63,116 -3.46,121 39.7,123 4,124 2,126 2,127 5,137 2,140 2,144 4,145 1,146 1,158 2,176 9,180 11,187 10,191 2,192 9,200 7,205 3,206 5,214 4,218 2,219 7,227 6,232 5,239 8,243 1,244 5,251 10,256 5,264 7,269 7,277 5,281 1630,282 21.256,283 21.256,284 21.256,285 21.256,286 21.256,287 19.931,288 26.83,289 12.398,290 21.751,291 16.63,292 16.63,293 16.63,294 16.63,295 16.63,296 14.361,297 32.802,298 5.679,299 17.208,300 4.541,301 2.757,302 1.548,303 1.135,304 0.849,305 0.818,306 4.169,311 1,312 1,313 932,314 2.828,318 451.994,325 2.36,326 29.645,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 67,338 433,339 4.418,340 3.69,341 6.515,342 4.076,343 3.091,344 3.853,345 0.916,346 10.199,347 3.047,348 4.207,349 3.393,350 6.169,351 3.885,352 2.908,353 3.805,354 0.86,355 9.156,356 2.856,357 3.916,358 3.196,359 6.134,360 3.808,361 2.825,362 3.075,363 0.86,364 9.022,365 2.76,366 3.798,367 2.954,368 5.936,369 3.543,370 2.58,371 2.854,372 0.8,373 8.233,374 2.486,375 3.411,376 2.795,377 5.309,378 3.28,379 2.341,380 2.46,381 0.172,382 6.827,383 2.199,384 3.286,385 2.581,386 5.038,387 2.985,388 1.975,389 2.378,391 5.663,392 1.971,393 2.968,394 2.359,395 4.478,396 2.627,397 1.64,398 2.088,400 4.492,401 1.608,402 2.917,403 1.958,404 4.345,405 2.483,406 1.534,407 2.007,409 4.082,410 1.446,411 2.82,412 1.635,413 4.231,414 2.432,415 1.445,416 1.882,418 3.722,419 1.422,420 2.452,421 1.49,422 3.62,423 2.28,424 1.307,425 1.407,427 3.015,428 1.263,429 2.153,430 1.223,431 3.414,432 1.984,433 1,434 1,436 2.275,437 0.983,438 2,439 1.077,440 3.414,441 1.984,442 1,443 1,445 2.275,446 0.983,447 2,448 1.077,449 3.363,450 1.648,451 0.695,452 0.849,454 1.493,455 0.646,456 1.726,457 0.957,458 2.959,459 1.441,460 0.538,461 0.622,463 0.947,464 0.48,465 1.568,466 0.94,467 2.676,468 1.088,469 0.137,470 0.163,472 0.255,473 0.128,474 14.633,475 0.472,476 0.674,477 0.022,478 32.5,479 1.048,480 12.5,481 0.403,482 20,483 0.645,484 32.487,485 1.048,486 35.167,487 0.558,488 24.425,489 0.788,490 6.286,491 0.203,492 8.798,493 0.284,494 0.114,496 0.328,501 0.724,502 1.459,503 0.855,504 1.266,505 0.518,506 1.106,507 1.105,508 1.068,509 0.987,510 0.959,511 0.593,512 0.94,513 0.766,514 1.128,515 0.987,516 1.104,517 0.658,518 1.076,519 0.671,520 1.122,521 1.01,522 1.142,523 0.682,524 1.133,525 0.663,526 1.041,527 0.938,528 1.044,529 0.885,530 1.036,531 1.085,532 0.873,533 1.014,534 0.864,535 1.204,536 0.912,537 1.156,538 0.81,539 1.11,540 0.886,541 0.954,542 0.97,543 0.731,544 1.046,545 0.986,546 1.095,547 0.718,548 1.09,549 6,550 0.144,551 4,552 1.875,553 1.831,554 1,555 0.642,556 0.37,557 0.312,558 0.208,559 14574,560 35723,561 2.084,562 50.8,563 2,564 22,569 8,572 1.73,573 1.958,574 3.731,575 -0.799,577 1,582 90.472,583 1.436,584 3.22,585 4.43,586 4.842,587 5.128,588 5.16,589 3.244,590 4.478,591 4.925,592 3.94,593 1831.97,594 8.563,595 27418.9,597 1,600 376.569,601 1.383,602 4.888,603 0.176,604 0.006,605 0.085,606 0.037,607 0.041,608 0.025,609 0.019,610 0.013,611 0.011,612 0.007,613 0.421,614 0.5,615 1,616 0.796,617 164.618,618 0.008,619 -0.211,620 0.073,621 -0.094,622 0.024,623 -0.017,624 -0.13,625 0.082,626 -0.006,627 0.077,628 0.032,629 0.063,630 0.061,631 -0.047,632 -0.029,633 -0.072,634 0.104,635 -0.063,636 0.098,637 -0.118,638 -0.059,639 -0.128,640 0.067,641 -0.122,642 0.086,643 -0.09,644 0.017,645 -0.066,646 0.085,647 -0.041,648 -0.108,649 0.065,650 -0.02,651 0.057,652 -0.121,653 0.039,654 -0.146,655 0.169,656 -0.118,657 0.065,658 -0.124,659 -0.007,660 -0.022,661 -0.085,662 -0.048,663 -0.07,664 -0.049,665 -0.066,666 1.887,667 5.39,668 0.774,669 37.347,670 0.996,671 1.128,672 2.432,673 5.915,674 0.639,675 3.555,676 3.871,677 4.159,678 4.382,679 4.615,680 4.635,681 4.762,682 4.852,683 4.97,684 5.106,685 8.162,686 0.6,687 424.59,688 3.555,689 5.094,690 5.948,691 6.819,692 7.686,693 8.559,694 9.429,695 10.303,696 11.175,697 12.049,698 3.2,701 2,715 4,720 2,722 6,739 1,741 63,743 10,744 1,745 34,747 66,748 25,749 6,750 2,751 4,752 6,756 4,757 4,767 4,768 2,770 4,772 12,773 13,774 2,777 4,782 2,784 2,786 4,790 1,793 32,794 6,796 6,802 2,808 1,809 4,829 4,841 2,849 4,855 2,858 1,859 4,864 2,868 31,876 9,878 2,880 2,881 2,893 6.3,896 2,897 1,898 1,901 15.833,902 11.733,903 6.972,904 3.974,907 1.768,908 1.223,909 0.952,910 7.138,911 9.682,912 3.738,913 4.212,914 4.707,915 5.087,916 5.505,917 5.489,918 5.567,919 5.701,920 5.85,921 6.04,922 1,923 51,924 11.562,926 4.914,927 0.026,929 7.667,931 22.624,933 19.068,936 2.167,937 67.167,940 1,941 376.675,942 125.986,943 6.249,945 72.29,948 125.986,949 448.965,950 6.249,951 21.766,952 20.667,953 56.857,954 79.557,955 25.678,957 376.675,959 376.675,960 132.235,961 72.29,964 282.506,965 155.459,966 11,968 26.915,969 78.367,970 26.953,972 376.675,973 78.538,974 125.986,977 376.675,978 47.363,979 84.872,981 72.29,982 376.675,983 78.538,984 125.986,986 0.577,987 0.353,988 0.188,989 0.1,990 22,991 10,992 0.091,993 6,995 1,996 4.297,997 272.54,999 24,1000 145.58,1005 22.103,1006 10.012,1007 5.045,1009 78.538,1010 8.268,1015 2.219,1018 581.2,1019 41,1024 24.467,1026 2.763,1028 0.306,1031 62.767,1032 71.062,1034 0.24,1035 0.539,1036 0.741,1037 0.81,1038 0.858,1039 0.863,1040 5.001,1041 1.534,1042 5.927,1043 4.492,1044 4.554,1045 4.898,1046 1.86,1047 6.73,1048 4.498,1049 6.16,1050 1.445,1051 7.485,1052 4.082,1053 4.111,1054 4.605,1055 0.57,1056 7.618,1057 4.046,1058 7.447,1059 1.307,1060 9.141,1061 3.722,1062 6.146,1063 6.902,1064 1.527,1065 10.686,1066 6.046,1067 8.764,1068 1,1069 10.853,1070 3.015,1071 6.524,1072 7.434,1073 0.581,1074 12.371,1075 6.412,1076 10.115,1077 1,1078 12.601,1079 2.275,1080 8.008,1081 9.214,1082 1.279,1083 14.941,1084 7.871,1085 11.488,1086 0.695,1087 14.372,1088 2.275,1089 8.76,1090 10.133,1091 0.515,1092 16.952,1093 8.611,1094 12.878,1095 0.538,1096 16.16,1097 1.493,1098 10.016,1099 11.696,1100 1.07,1101 19.342,1102 9.848,1103 3.091,1104 0.137,1105 17.959,1106 0.947,1107 10.946,1108 12.81,1109 0.441,1110 21.498,1111 10.765,1112 2.908,1113 10.199,1114 19.767,1115 0.255,1116 12.105,1117 14.271,1118 0.89,1119 23.82,1120 11.908,1121 2.825,1122 9.156,1123 21.581,1124 3.853,1125 13.121,1126 15.486,1127 0.373,1128 26.043,1129 12.911,1130 2.58,1131 9.022,1132 23.402,1133 3.805,1134 14.24,1135 16.895,1136 0.735,1137 28.342,1138 14.015,1139 2.341,1140 8.233,1141 25.226,1142 3.075,1143 15.297,1144 18.165,1145 0.314,1146 30.599,1147 15.059,1148 1.975,1149 6.827,1150 27.054,1151 2.854,1152 16.402,1153 19.545,1154 0.603,1155 32.891,1156 16.15,1157 1.64,1158 5.663,1159 28.886,1160 2.46,1161 17.48,1162 20.846,1163 0.264,1164 35.168,1165 17.215,1166 13867,1167 21875,1168 22.77,1169 40.25,1170 51.111,1171 52.803,1172 52.44,1173 50.083,1174 50.151,1175 59.032,1176 7.218,1177 143.533,1178 48.664,1179 5.418,1180 5.69,1181 6.21,1182 5.111,1183 5.091,1184 6.853,1185 1.776,1186 17.018,1187 5.047,1188 15.314,1189 1.503,1190 1.553,1191 1.542,1192 1.473,1193 1.475,1194 1.736,1195 0.212,1196 4.222,1197 1.431,1198 4.017,1199 4.062,1200 3.939,1201 3.902,1202 7.438,1203 3.903,1204 3.921,1205 3.947,1206 3.868,1207 3.823,1208 7.418,1209 3.828,1210 3.841,1211 3.868,1212 3.754,1213 3.732,1214 4.862,1215 3.736,1216 3.658,1217 3.716,1218 3.534,1219 3.493,1220 4.687,1221 3.493,1222 3.304,1223 3.363,1224 3.183,1225 3.092,1226 4.412,1227 3.101,1228 3.249,1229 3.314,1230 3.065,1231 2.998,1232 4.382,1233 3.001,1234 3.201,1235 3.276,1236 3.031,1237 2.959,1238 4.259,1239 2.966,1240 3.111,1241 3.206,1242 2.994,1243 2.941,1244 3.993,1245 2.91,1246 0.13,1247 0.109,1248 0.192,1249 0.12,1250 0.091,1251 4.418,1252 0.113,1253 3.69,1254 0.027,1255 6.515,1256 0.3,1257 4.076,1258 0.09,1259 3.091,1260 3.853,1261 0.916,1262 10.199,1263 3.047,1264 1.957,1265 1.914,1266 2.134,1267 2.103,1268 1.553,1269 2.116,1270 1.897,1271 1.87,1272 2.022,1273 2.02,1274 1.29,1275 2.02,1276 1.808,1277 1.787,1278 1.932,1279 1.945,1280 1.13,1281 1.941,1282 1.636,1283 1.577,1284 1.822,1285 1.825,1286 0.933,1287 1.829,1288 1.252,1289 1.188,1290 1.573,1291 1.527,1292 0.825,1293 1.539,1294 1.198,1295 1.127,1296 1.566,1297 1.513,1298 0.825,1299 1.532,1300 1.18,1301 1.106,1302 1.513,1303 1.426,1304 0.739,1305 1.451,1306 1.153,1307 1.064,1308 1.513,1309 1.376,1310 0.585,1311 1.429,1312 4.234,1314 5.549,1316 7.072,1318 8.684,1320 10.336,1322 3.153,1328 9.46,1330 10.48,1332 1.443,1333 4.608,1340 37.804,1341 90.472,1342 202.847,1343 279.059,1344 305.059,1345 323.059,1346 325.059,1347 61.972,1348 7.915,1349 59.08,1350 59.08,1351 24,1352 12.59,1353 3.459,1354 3,1355 49.874,1356 154,1357 139,1358 0.158,1359 230.087,1360 419.4,1361 553.173,1362 32932,1364 21.794,1365 0.703,1366 0.597,1367 21.794,1368 18.51,1369 15.084,1370 0.444,1371 0.331,1372 11.068,1373 14.441,1374 10.776,1375 8.9,1376 15.084,1377 11.24,1378 13.162,1379 0.28,1380 0.186,1381 13.162,1382 8.721,1383 11.586,1384 0.184,1385 0.111,1386 11.586,1387 7.011,1388 9.465,1389 0.12,1390 0.066,1391 9.465,1392 5.206,1393 7.734,1394 0.077,1395 0.039,1396 7.734,1397 3.863,1398 0.256,1399 95.077,1400 0.21,1401 29.736,1402 0.409,1403 162,1404 454.232,1405 176.461,1406 425.379,1407 572.08,1408 400,1409 191,1410 403.293,1411 206.794,1412 409.191,1413 596.54,1414 382,1415 4.613}
{0 CHEMBL1940736,1 1.458,2 10.107,3 4.739,4 22.46,5 107.303,6 8.254,7 0.656,8 3.947,9 4.024,10 3.614,11 3.548,12 5.117,13 3.553,14 4.448,15 4.556,16 3.995,17 3.934,18 5.637,19 3.932,20 4.647,21 4.785,22 4.057,23 4.048,24 5.756,25 4.027,26 4.701,27 4.857,28 3.964,29 4.03,30 5.772,31 3.98,32 4.712,33 4.903,34 3.848,35 3.969,36 5.781,37 3.9,38 4.627,39 4.827,40 3.826,41 3.911,42 5.685,43 3.845,44 4.536,45 4.709,46 3.827,47 3.822,48 5.65,49 3.792,50 4.472,51 4.617,52 3.756,53 3.761,54 5.723,55 3.725,56 0.051,57 0.554,58 7.269,59 4.068,60 6.131,61 4.432,62 0.266,63 0.917,64 14.119,65 6.807,66 24.929,67 7.446,68 0.301,69 1.132,70 18.771,71 8.568,72 26.517,73 9.662,74 0.393,75 1.214,76 20.625,77 9.051,78 30.628,79 10.395,80 0.474,81 1.245,82 23.199,83 9.331,84 46.439,85 11.105,86 0.345,87 1.117,88 21.604,89 9.177,90 40.967,91 11.598,92 0.32,93 0.999,94 19.08,95 8.02,96 27.798,97 9.402,98 0.433,99 0.923,100 16.689,101 7.248,102 39.583,103 8.094,104 6,105 46,106 0.245,107 0.592,108 0.73,109 0.869,110 0.899,111 0.899,112 3.375,113 0.842,114 -4.65,115 -4.57,116 -4.3,121 51.1,126 1,127 1,137 1,138 1,144 10,145 3,146 3,154 2,160 1,176 12,179 1,180 9,185 2,187 13,192 8,195 1,197 4,200 12,205 1,206 6,211 2,214 10,219 4,222 2,224 2,227 11,231 1,232 6,237 1,239 10,244 6,247 1,249 1,251 9,255 2,256 8,261 2,264 7,269 6,274 1,277 5,281 1186,282 19.472,283 19.472,284 19.472,285 19.472,286 19.472,287 16.759,288 17.678,289 11.392,290 19.79,291 15.789,292 15.789,293 15.789,294 15.789,295 15.789,296 11.505,297 25.478,298 5.358,299 16.201,300 4.034,301 1.975,302 1.155,303 0.328,304 0.15,305 0.15,306 4.092,311 1,312 1,313 635,314 2.828,317 39.809,318 223.794,321 147.372,322 77.862,325 1.615,326 24.453,328 1,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 60.5,338 283,339 4.743,340 3.659,341 6.809,342 4.267,343 3.274,344 4.829,345 1.674,346 11.307,347 3.254,348 4.354,349 3.245,350 6.48,351 3.957,352 2.974,353 3.957,354 0.86,355 10.139,356 2.92,357 4.188,358 3.101,359 6.129,360 3.783,361 2.828,362 3.798,363 0.657,364 8.98,365 2.697,366 3.757,367 2.922,368 5.572,369 3.274,370 2.275,371 3.275,373 7.169,374 2.27,375 3.469,376 2.484,377 5.214,378 3.108,379 2.135,380 2.756,382 6.263,383 2.062,384 3.372,385 2.106,386 5.015,387 2.904,388 1.918,389 2.696,391 5.824,392 1.878,393 3.2,394 2.005,395 4.848,396 2.741,397 1.755,398 2.407,400 5.243,401 1.727,402 2.924,403 1.768,404 4.4,405 2.535,406 1.594,407 2.1,409 4.259,410 1.496,411 2.916,412 1.547,413 4.004,414 2.45,415 1.468,416 2.068,418 3.218,419 1.434,420 2.857,421 1.376,422 3.632,423 2.361,424 1.363,425 2.011,427 3.038,428 1.359,429 2.585,430 1.282,431 3.607,432 2.1,433 1.104,434 1.599,436 2.841,437 1.098,438 1.988,439 0.941,440 3.38,441 1.653,442 0.698,443 0.863,445 1.675,446 0.663,447 1.88,448 0.833,449 3.086,450 1.413,451 0.483,452 0.609,454 1.005,455 0.44,456 1.583,457 0.808,458 2.838,459 1.256,460 0.312,461 0.407,463 0.617,464 0.296,465 1.26,466 0.348,467 2.69,468 0.803,469 -0.15,470 -0.186,472 -0.402,473 -0.14,474 13.233,475 0.473,476 0.619,477 0.022,478 40.75,479 1.455,480 22.5,481 0.804,482 18.25,483 0.652,484 19.363,485 0.692,486 28.167,487 0.626,488 30.39,489 1.085,490 8.34,491 0.298,492 5.384,493 0.192,494 0.063,496 0.378,501 0.8,502 1.031,503 0.67,504 0.95,505 0.631,506 0.813,507 0.953,508 0.972,509 0.789,510 0.907,511 0.609,512 0.828,513 1.031,514 1.047,515 0.914,516 0.987,517 0.816,518 0.939,519 0.997,520 1.164,521 1.105,522 1.109,523 0.823,524 1.121,525 1.035,526 0.931,527 1.104,528 0.95,529 1.212,530 1.018,531 0.704,532 0.942,533 0.818,534 0.948,535 0.904,536 0.916,537 1.088,538 0.955,539 0.867,540 0.937,541 0.971,542 0.877,543 1.088,544 1.124,545 1.093,546 1.13,547 1.248,548 1.117,549 5,550 0.106,551 3.111,552 2.139,553 1.483,554 1.004,555 0.549,556 0.425,557 0.309,558 0.233,559 10023,560 27268,561 2.2,562 37.8,564 16,567 1,572 1.713,573 2.1,574 3.325,575 -0.394,582 65.605,583 1.458,584 3.517,585 4.337,586 5.164,587 5.342,588 5.342,589 2.738,590 4.495,591 4.78,592 3.484,593 1317.06,594 8.327,595 16946.3,597 1,600 247.133,601 1.264,602 4.757,603 0.156,604 0.006,605 0.068,606 0.045,607 0.035,608 0.027,609 0.015,610 0.011,611 0.009,612 0.009,613 0.382,614 0.17,615 0.88,616 0.615,617 138.886,618 -0.041,619 -0.04,620 0.058,621 -0.028,622 -0.07,623 0.025,624 0.019,625 0.023,626 0.044,627 0.029,628 0.092,629 0.042,630 -0.061,631 -0.054,632 -0.019,633 -0.036,634 -0.035,635 -0.025,636 -0.043,637 -0.158,638 -0.176,639 -0.158,640 -0.054,641 -0.187,642 -0.062,643 0.089,644 -0.102,645 0.018,646 -0.107,647 -0.036,648 0.111,649 0.02,650 0.188,651 0.054,652 0.099,653 0.121,654 -0.022,655 0.012,656 0.132,657 0.046,658 0.037,659 0.102,660 0.09,661 -0.158,662 -0.132,663 -0.168,664 0.095,665 -0.19,666 2.056,667 5.097,668 0.821,669 24.5,670 1.011,671 1.104,672 3.422,673 11.708,674 0.709,675 3.497,676 3.85,677 4.19,678 4.522,679 4.804,680 4.949,681 5.176,682 5.407,683 5.521,684 5.628,685 6.165,686 0.691,687 371.41,688 3.497,689 5.056,690 5.938,691 6.841,692 7.739,693 8.65,694 9.557,695 10.473,696 11.385,697 12.303,698 2.2,703 1,714 4,715 10,718 1,720 4,722 21,734 1,739 1,741 45,743 23,744 3,745 32,747 49,748 23,749 18,750 8,751 10,752 3,756 5,757 11,772 21,773 2,777 2,782 1,784 1,786 2,792 1,793 17,794 5,795 1,796 5,802 1,808 0.4,809 4,828 1,829 4,832 2,833 1,846 1,849 1,850 1,859 2,864 1,868 28,876 1,877 1,878 2,893 8.9,896 1,898 3,901 13.333,902 8.583,903 6.083,904 2.604,907 4.656,908 1.557,909 1.051,910 4.154,911 13.01,912 3.818,913 4.497,914 5.185,915 5.869,916 6.503,917 6.955,918 7.513,919 8.069,920 8.418,921 8.811,922 0.857,923 48,924 10.327,926 4.503,927 0.026,929 7.72,931 19.662,933 16.457,936 2.22,937 62.167,940 1,941 188.338,942 158.852,943 18.011,945 56.652,948 158.852,949 244.99,950 18.011,951 10.883,952 2.106,953 104.239,954 50.347,955 56.268,956 9.672,957 188.338,959 188.338,960 176.863,961 56.652,964 188.338,965 56.652,968 2.106,969 147.27,970 27.487,972 188.338,973 74.663,974 158.852,977 188.338,978 43.73,979 115.122,980 18.011,981 56.652,982 188.338,983 74.663,984 158.852,986 0.582,987 0.353,988 0.204,989 0.112,990 25,991 10,992 0.082,993 4,994 3,995 1.261,996 3.987,997 260.999,998 0.261,999 23,1000 134.606,1005 17.05,1006 6.823,1007 3.004,1008 3.542,1009 74.663,1010 19.371,1013 5.906,1015 2.996,1017 18.011,1018 421.852,1019 44.5,1024 12.097,1026 1.527,1028 0.462,1031 45.48,1032 49.658,1034 0.265,1035 0.64,1036 0.79,1037 0.94,1038 0.973,1039 0.973,1040 5.058,1041 1.594,1042 5.927,1043 5.243,1044 4.533,1045 5.185,1046 2.192,1047 6.779,1048 4.488,1049 6.293,1050 1.468,1051 7.504,1052 4.259,1053 4.111,1054 5.075,1056 7.727,1057 4.056,1058 7.625,1059 1.363,1060 9.181,1061 3.218,1062 6.159,1063 7.509,1064 2.901,1065 10.868,1066 6.079,1067 8.997,1068 1.104,1069 10.918,1070 3.038,1071 6.581,1072 8.264,1074 12.661,1075 6.491,1076 10.401,1077 0.698,1078 12.694,1079 2.841,1080 8.084,1081 10.161,1082 3.83,1083 15.309,1084 7.978,1085 11.831,1086 0.483,1087 14.496,1088 1.675,1089 8.904,1090 11.339,1092 17.451,1093 8.79,1094 13.281,1095 0.312,1096 16.317,1097 1.005,1098 10.19,1099 13.021,1100 4.83,1101 19.931,1102 10.064,1103 3.274,1104 -0.15,1105 18.153,1106 0.617,1107 11.195,1108 14.405,1110 22.221,1111 11.063,1112 2.974,1113 11.307,1114 20,1115 -0.402,1116 12.395,1117 16.003,1118 5.852,1119 24.644,1120 12.255,1121 2.828,1122 10.139,1123 21.857,1124 4.829,1125 13.485,1126 17.484,1128 26.997,1129 13.34,1130 2.275,1131 8.98,1132 23.72,1133 3.957,1134 14.654,1135 19.055,1136 6.88,1137 29.404,1138 14.504,1139 2.135,1140 7.169,1141 25.59,1142 3.798,1143 15.782,1144 20.581,1146 31.785,1147 15.628,1148 1.918,1149 6.263,1150 27.464,1151 3.275,1152 16.943,1153 22.145,1154 7.91,1155 34.189,1156 16.786,1157 1.755,1158 5.824,1159 29.343,1160 2.756,1161 18.09,1162 23.693,1164 36.585,1165 17.929,1166 9237,1167 15387,1168 22.076,1169 31.915,1170 48.695,1171 49.986,1172 49.602,1173 48.306,1174 48.362,1175 66.747,1176 6.383,1177 143.154,1178 47.187,1179 5.629,1180 5.659,1181 6.505,1182 5.356,1183 5.274,1184 7.829,1185 3.349,1186 18.441,1187 5.254,1188 9.758,1189 1.522,1190 1.562,1191 1.55,1192 1.51,1193 1.511,1194 2.086,1195 0.199,1196 4.474,1197 1.475,1198 4.208,1199 4.209,1200 4.185,1201 4.128,1202 7.434,1203 4.14,1204 3.927,1205 3.954,1206 3.871,1207 3.835,1208 5.191,1209 3.839,1210 3.817,1211 3.828,1212 3.774,1213 3.734,1214 4.879,1215 3.739,1216 3.503,1217 3.536,1218 3.427,1219 3.404,1220 4.675,1221 3.405,1222 3.249,1223 3.315,1224 3.148,1225 2.997,1226 4.405,1227 3.022,1228 3.242,1229 3.285,1230 3.062,1231 2.962,1232 4.379,1233 2.974,1234 3.04,1235 3.057,1236 2.972,1237 2.861,1238 4.147,1239 2.877,1240 2.947,1241 2.98,1242 2.861,1243 2.839,1244 4.001,1245 2.846,1246 0.148,1247 0.114,1248 0.213,1249 0.133,1250 0.102,1251 4.743,1252 0.151,1253 3.659,1254 0.052,1255 6.809,1256 0.353,1257 4.267,1258 0.102,1259 3.274,1260 4.829,1261 1.674,1262 11.307,1263 3.254,1264 2.017,1265 2.005,1266 2.082,1267 2.084,1268 1.269,1269 2.081,1270 1.891,1271 1.868,1272 1.999,1273 1.998,1274 1.102,1275 2,1276 1.848,1277 1.834,1278 1.942,1279 1.966,1280 1.033,1281 1.955,1282 1.535,1283 1.515,1284 1.672,1285 1.692,1286 0.832,1287 1.682,1288 1.198,1289 1.126,1290 1.573,1291 1.513,1292 0.574,1293 1.533,1294 1.131,1295 1.085,1296 1.329,1297 1.427,1298 0.38,1299 1.392,1300 1.026,1301 0.996,1302 1.203,1303 1.222,1304 0.282,1305 1.211,1306 0.908,1307 0.87,1308 1.145,1309 1.071,1310 0.195,1311 1.097,1312 4.174,1314 5.517,1315 2.398,1316 7.069,1317 4.844,1318 8.718,1319 7.05,1320 10.418,1322 1.633,1328 0.462,1329 3.35,1330 10.821,1340 31.095,1341 65.605,1342 158.251,1343 195.159,1344 232.379,1345 240.379,1346 240.379,1347 37.171,1348 8.354,1349 64.61,1350 64.61,1351 29,1352 12.814,1353 4.585,1354 3.755,1355 37.56,1356 103,1357 98,1358 0.178,1359 185.005,1360 318.18,1361 443.173,1362 53239,1364 19.087,1365 0.682,1366 0.543,1367 19.087,1368 15.191,1369 13.725,1370 0.429,1371 0.281,1372 8.845,1373 13.196,1374 8.652,1375 7.147,1376 13.725,1377 8.977,1378 12.39,1379 0.269,1380 0.143,1381 12.39,1382 6.587,1383 10.999,1384 0.169,1385 0.075,1386 10.999,1387 4.904,1388 9.83,1389 0.108,1390 0.039,1391 9.83,1392 3.573,1393 8.302,1394 0.069,1395 0.021,1396 8.302,1397 2.496,1398 0.275,1399 86.128,1400 0.213,1401 26.39,1402 0.5,1403 156,1404 473.275,1405 171.339,1406 449.23,1407 627.83,1408 424,1409 189,1410 476.417,1411 204.343,1412 479.079,1413 709.47,1414 452,1415 6.721}
{0 CHEMBL1940737,1 1.495,2 14.281,3 3.984,4 15.874,5 121.66,6 7.271,7 0.353,8 4.205,9 4.299,10 3.737,11 3.642,12 5.341,13 3.648,14 4.742,15 4.909,16 4.068,17 3.98,18 5.841,19 3.984,20 4.897,21 5.039,22 4.204,23 4.149,24 6.043,25 4.134,26 5.035,27 5.214,28 4.171,29 4.199,30 6.131,31 4.144,32 5.114,33 5.316,34 4.029,35 4.153,36 6.167,37 4.08,38 5.004,39 5.209,40 3.86,41 4.046,42 6.021,43 3.953,44 4.933,45 5.169,46 3.736,47 3.973,48 5.853,49 3.849,50 4.914,51 5.169,52 3.627,53 3.866,54 5.802,55 3.745,56 0.103,57 0.789,58 13.202,59 5.965,60 11.428,61 7.308,62 0.573,63 1.202,64 25.975,65 8.944,66 42.389,67 11.444,68 0.742,69 1.403,70 29.667,71 11.056,72 49.831,73 13.892,74 0.76,75 1.557,76 34.903,77 12.8,78 55.84,79 16.803,80 1.062,81 1.565,82 40.076,83 12.856,84 88.897,85 16.921,86 0.953,87 1.412,88 35.76,89 11.634,90 82.456,91 15.461,92 0.749,93 1.338,94 33.285,95 11.249,96 62.497,97 15.682,98 0.793,99 1.247,100 33.906,101 10.473,102 66.051,103 14.757,104 59,105 47,106 0.243,107 0.552,108 0.753,109 0.8,110 0.832,111 0.848,112 3.501,113 0.909,114 -3.07,115 -3.07,116 -2.96,121 39.3,122 1,123 2,126 4,127 2,138 1,140 1,144 5,145 1,146 6,160 1,176 4,179 1,180 11,185 2,187 6,191 3,192 10,200 3,205 2,206 9,209 2,211 1,214 4,218 2,219 5,227 4,231 2,232 4,237 1,239 3,243 2,244 5,249 1,251 3,255 1,256 2,264 2,268 2,269 4,272 1,277 3,281 1818,282 21.309,283 21.309,284 21.309,285 21.309,286 21.309,287 19.47,288 31.91,289 12.511,290 22.154,291 16.633,292 16.633,293 16.633,294 16.633,295 16.633,296 13.549,297 42.332,298 5.763,299 17.784,300 4.436,301 2.539,302 1.301,303 1.013,304 0.816,305 0.718,306 4.181,311 1,312 1,313 956,314 4,318 313.061,322 163.199,325 2.094,326 38.003,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 71.5,338 457,339 4.589,340 3.793,341 6.769,342 4.194,343 3.226,344 4.24,345 1.674,346 11.027,347 3.117,348 4.231,349 3.253,350 6.19,351 3.841,352 2.887,353 3.858,354 0.86,355 9.145,356 2.751,357 4.162,358 3.124,359 6.033,360 3.744,361 2.8,362 3.653,363 0.86,364 8.732,365 2.634,366 3.604,367 2.863,368 5.795,369 3.259,370 2.336,371 2.911,372 0.86,373 7.639,374 2.177,375 3.552,376 2.727,377 5.331,378 3.239,379 2.279,380 2.782,381 0.86,382 6.723,383 2.149,384 3.381,385 2.614,386 5.206,387 2.992,388 2.055,389 2.558,390 0.8,391 6.154,392 1.903,393 3.306,394 2.402,395 4.78,396 2.935,397 2.01,398 2.551,400 5.374,401 1.849,402 2.946,403 2.307,404 4.494,405 2.713,406 1.769,407 2.012,409 4.396,410 1.668,411 2.716,412 1.881,413 3.83,414 2.452,415 1.513,416 1.723,418 3.453,419 1.405,420 2.352,421 1.739,422 3.718,423 2.077,424 1.14,425 1.328,427 2.713,428 1.063,429 2.226,430 1.427,431 3.634,432 1.979,433 1.051,434 1.182,436 2.397,437 0.963,438 1.998,439 1.271,440 3.401,441 1.77,442 0.877,443 0.942,445 1.8,446 0.769,447 1.823,448 1.19,449 3.209,450 1.551,451 0.655,452 0.74,454 1.324,455 0.579,456 1.429,457 0.794,458 2.82,459 1.203,460 0.319,461 0.344,463 0.652,464 0.279,465 1.214,466 0.727,467 2.647,468 0.852,469 -0.069,470 -0.079,472 -0.133,473 -0.062,474 14.733,475 0.46,476 0.839,477 0.026,478 38.75,479 1.211,480 18,481 0.563,482 20.75,483 0.648,484 29.077,485 0.909,486 36.867,487 0.604,488 32.268,489 1.008,490 8.034,491 0.251,492 7.299,493 0.228,494 0.215,496 0.367,501 0.885,502 1.456,503 0.806,504 1.324,505 0.781,506 1.09,507 1.165,508 0.869,509 0.822,510 0.808,511 0.679,512 0.731,513 1.038,514 1.114,515 0.952,516 1.092,517 0.871,518 1.015,519 0.874,520 1.191,521 0.969,522 1.212,523 0.766,524 1.134,525 1.267,526 0.995,527 1.165,528 1.02,529 1.375,530 1.062,531 1.195,532 1.036,533 1.216,534 1.071,535 1.23,536 1.138,537 0.806,538 1.067,539 1.027,540 1.103,541 0.674,542 1.117,543 1.005,544 0.883,545 0.994,546 0.902,547 0.945,548 0.939,549 7,550 0.153,551 3.556,552 2.625,553 2.413,554 1.104,555 0.669,556 0.405,557 0.246,558 0.177,559 15246,560 43826,561 1.976,562 47.5,563 3,564 21,567 1,569 4,572 1.738,573 1.811,574 3.745,575 -0.341,577 1,582 91.203,583 1.495,584 3.392,585 4.629,586 4.918,587 5.115,588 5.213,589 3.215,590 4.563,591 4.976,592 3.971,593 1969.41,594 8.662,595 31019.2,597 1,600 361.775,601 1.531,602 4.907,603 0.206,604 0.006,605 0.076,606 0.05,607 0.05,608 0.028,609 0.02,610 0.014,611 0.009,612 0.007,613 0.467,614 0.33,615 1,616 0.956,617 172.605,618 -0.053,619 -0.236,620 0.057,621 -0.157,622 -0.079,623 -0.045,624 -0.085,625 0.22,626 0.151,627 0.21,628 0.083,629 0.241,630 0.039,631 -0.027,633 -0.03,634 0.021,635 -0.024,636 0.081,637 -0.159,638 -0.017,639 -0.174,640 0.069,641 -0.132,642 -0.115,643 -0.034,644 -0.155,645 -0.049,646 -0.151,647 -0.101,648 -0.1,649 -0.069,650 -0.217,651 -0.095,652 -0.144,653 -0.17,654 0.047,655 -0.108,656 -0.059,657 -0.12,658 0.039,659 -0.116,660 -0.046,661 0.025,662 0.015,663 0.034,664 -0.038,665 0.039,666 2.199,667 5.083,668 0.5,669 35.688,670 1.013,671 1.127,672 1.843,673 3.398,674 0.637,675 3.555,676 3.871,677 4.127,678 4.369,679 4.585,680 4.654,681 4.691,682 4.691,683 4.673,684 4.533,685 8.506,686 0.613,687 443.54,688 3.555,689 5.094,690 5.938,691 6.815,692 7.679,693 8.563,694 9.437,695 10.324,696 11.203,697 12.092,698 1.6,704 1,715 5,720 7,722 12,736 1,738 1,739 3,741 61,743 14,744 2,745 34,747 63,748 24,749 12,750 7,751 5,752 3,756 3,757 4,763 1,770 2,772 15,773 9,777 2,782 1,786 3,790 1,793 29,794 8,795 1,796 8,802 1,808 0.667,809 7,829 3,833 1,846 1,849 1,850 1,858 1,859 2,864 5,868 32,875 1,876 4,878 5,881 1,893 11.5,895 1,896 1,897 1,898 4,901 17.667,902 12.567,903 7.25,904 3.438,907 2.581,908 1.34,909 0.911,910 8.285,911 10.175,912 3.761,913 4.331,914 4.875,915 5.406,916 5.913,917 6.152,918 6.372,919 6.539,920 6.64,921 6.447,922 1,923 52,924 11.828,926 4.858,927 0.026,929 7.849,931 22.249,933 17.295,936 2.349,937 75.167,940 1,941 329.591,942 151.556,943 3.124,945 122.828,948 151.556,949 452.419,950 3.124,951 47.384,952 14.254,953 47.381,954 91.263,955 77.225,957 329.591,959 329.591,960 154.68,961 122.828,964 282.506,965 158.912,966 11,968 23.079,969 126.357,970 5.243,972 329.591,973 125.952,974 151.556,977 329.591,978 56.79,979 97.89,981 122.828,982 329.591,983 125.952,984 151.556,986 0.576,987 0.344,988 0.187,989 0.102,990 20,991 11,992 0.159,993 10,994 1,995 1.125,996 4.281,997 273.392,998 0.125,999 16,1000 158,1005 24.231,1006 10.942,1007 5.894,1009 125.952,1010 8.583,1015 3.826,1017 42.683,1018 607.098,1019 42,1024 12.083,1028 0.331,1031 61.763,1032 68.777,1034 0.252,1035 0.572,1036 0.781,1037 0.829,1038 0.862,1039 0.879,1040 5.011,1041 1.769,1042 5.932,1043 5.374,1044 4.554,1045 5.017,1046 2.602,1047 6.749,1048 4.433,1049 6.216,1050 1.513,1051 7.502,1052 4.396,1053 4.205,1054 4.924,1055 0.325,1056 7.67,1057 4.049,1058 7.531,1059 1.14,1060 9.17,1061 3.453,1062 6.155,1063 7.19,1064 3.071,1065 10.766,1066 5.942,1067 8.883,1068 1.051,1069 10.896,1070 2.713,1071 6.594,1072 7.869,1073 0.268,1074 12.479,1075 6.347,1076 10.266,1077 0.877,1078 12.658,1079 2.397,1080 8.038,1081 9.657,1082 3.883,1083 15.112,1084 7.749,1085 11.67,1086 0.655,1087 14.443,1088 1.8,1089 8.846,1090 10.693,1091 0.188,1092 17.174,1093 8.522,1094 13.092,1095 0.319,1096 16.247,1097 1.324,1098 10.093,1099 12.285,1100 4.845,1101 19.644,1102 9.735,1103 3.226,1104 -0.069,1105 18.065,1106 0.652,1107 11.078,1108 13.501,1109 0.125,1110 21.872,1111 10.686,1112 2.887,1113 11.027,1114 19.893,1115 -0.133,1116 12.25,1117 15.002,1118 5.856,1119 24.283,1120 11.828,1121 2.8,1122 9.145,1123 21.731,1124 4.24,1125 13.319,1126 16.313,1127 0.082,1128 26.592,1129 12.862,1130 2.336,1131 8.732,1132 23.576,1133 3.858,1134 14.467,1135 17.771,1136 6.881,1137 28.984,1138 13.981,1139 2.279,1140 7.639,1141 25.429,1142 3.653,1143 15.576,1144 19.133,1145 0.054,1146 31.334,1147 15.057,1148 2.055,1149 6.723,1150 27.287,1151 2.911,1152 16.719,1153 20.572,1154 7.91,1155 33.722,1156 16.17,1157 2.01,1158 6.154,1159 29.151,1160 2.782,1161 17.849,1162 21.963,1163 0.035,1164 36.093,1165 17.268,1166 14983,1167 25598,1168 21.789,1169 38.847,1170 50.041,1171 52.159,1172 53.009,1173 49.791,1174 49.834,1175 61.645,1176 11.829,1177 143.059,1178 46.612,1179 5.524,1180 5.793,1181 6.592,1182 5.291,1183 5.226,1184 7.24,1185 3.349,1186 18.546,1187 5.117,1188 20.658,1189 1.472,1190 1.534,1191 1.559,1192 1.464,1193 1.466,1194 1.813,1195 0.348,1196 4.208,1197 1.371,1198 4.016,1199 4.02,1200 3.986,1201 3.919,1202 7.433,1203 3.932,1204 3.932,1205 3.954,1206 3.883,1207 3.832,1208 6.471,1209 3.841,1210 3.682,1211 3.728,1212 3.588,1213 3.519,1214 4.961,1215 3.52,1216 3.578,1217 3.597,1218 3.468,1219 3.421,1220 4.781,1221 3.432,1222 3.444,1223 3.527,1224 3.288,1225 3.208,1226 4.689,1227 3.214,1228 3.246,1229 3.307,1230 3.09,1231 2.965,1232 4.483,1233 2.981,1234 3.217,1235 3.278,1236 3.06,1237 2.95,1238 4.417,1239 2.962,1240 3.156,1241 3.226,1242 2.996,1243 2.911,1244 4.357,1245 2.912,1246 0.135,1247 0.112,1248 0.199,1249 0.123,1250 0.095,1251 4.589,1252 0.125,1253 3.793,1254 0.049,1255 6.769,1256 0.324,1257 4.194,1258 0.092,1259 3.226,1260 4.24,1261 1.674,1262 11.027,1263 3.117,1264 1.94,1265 1.936,1266 2.011,1267 2.055,1268 1.263,1269 2.036,1270 1.885,1271 1.864,1272 1.988,1273 2.015,1274 1.159,1275 2.008,1276 1.663,1277 1.61,1278 1.91,1279 1.857,1280 1.085,1281 1.875,1282 1.513,1283 1.493,1284 1.708,1285 1.721,1286 0.796,1287 1.709,1288 1.407,1289 1.319,1290 1.695,1291 1.666,1292 0.766,1293 1.679,1294 1.183,1295 1.112,1296 1.569,1297 1.505,1298 0.697,1299 1.524,1300 1.171,1301 1.098,1302 1.549,1303 1.47,1304 0.574,1305 1.496,1306 1.132,1307 1.059,1308 1.464,1309 1.406,1310 0.567,1311 1.427,1312 4.234,1314 5.549,1316 7.062,1318 8.678,1320 10.353,1322 8.599,1327 9.825,1328 2.427,1330 27.593,1333 1.9,1340 37.4,1341 91.203,1342 206.904,1343 282.391,1344 300.001,1345 312.001,1346 318.001,1347 72.763,1348 7.594,1349 90.6,1350 90.6,1351 18,1352 12.624,1353 3.907,1354 3.17,1355 61.789,1356 167,1357 136,1358 0.178,1359 230.155,1360 416.29,1361 553.339,1362 23009,1364 23.25,1365 0.727,1366 0.596,1367 23.25,1368 19.059,1369 15.333,1370 0.451,1371 0.303,1372 10.056,1373 14.391,1374 9.66,1375 8.109,1376 15.333,1377 10.301,1378 13.642,1379 0.29,1380 0.16,1381 13.642,1382 7.531,1383 11.161,1384 0.183,1385 0.083,1386 11.161,1387 5.06,1388 9.297,1389 0.119,1390 0.043,1391 9.297,1392 3.335,1393 7.16,1394 0.074,1395 0.022,1396 7.16,1397 2.147,1398 0.292,1399 98.76,1400 0.214,1401 30.614,1402 0.455,1403 162,1404 574.208,1405 185.227,1406 524.189,1407 704.19,1408 492,1409 189,1410 506.052,1411 212.758,1412 507.399,1413 739.18,1414 470,1415 6.561}
{0 CHEMBL1940738,1 1.495,2 14.281,3 3.984,4 15.874,5 121.66,6 7.271,7 0.353,8 4.205,9 4.299,10 3.737,11 3.642,12 5.341,13 3.648,14 4.742,15 4.909,16 4.068,17 3.98,18 5.841,19 3.984,20 4.897,21 5.039,22 4.204,23 4.149,24 6.043,25 4.134,26 5.035,27 5.214,28 4.171,29 4.199,30 6.124,31 4.144,32 5.114,33 5.316,34 4.05,35 4.154,36 6.172,37 4.086,38 5.011,39 5.208,40 3.868,41 4.052,42 6.068,43 3.964,44 4.952,45 5.195,46 3.735,47 3.977,48 5.896,49 3.849,50 4.895,51 5.145,52 3.613,53 3.843,54 5.859,55 3.719,56 0.103,57 0.789,58 13.202,59 5.965,60 11.428,61 7.308,62 0.573,63 1.202,64 25.975,65 8.944,66 42.389,67 11.444,68 0.742,69 1.403,70 29.667,71 11.056,72 49.852,73 13.892,74 0.76,75 1.557,76 34.903,77 12.8,78 55.577,79 16.803,80 1.048,81 1.565,82 40.05,83 12.848,84 86.228,85 16.912,86 1.001,87 1.416,88 36.016,89 11.605,90 89.776,91 15.214,92 0.768,93 1.354,94 34.166,95 11.418,96 69.363,97 16.036,98 0.853,99 1.221,100 33.209,101 10.251,102 79.943,103 14.446,104 59,105 47,106 0.243,107 0.552,108 0.753,109 0.794,110 0.826,111 0.842,112 3.501,113 0.909,114 -3.07,115 -3.07,116 -2.96,121 39.3,122 1,123 2,126 4,127 2,138 1,140 1,144 5,145 1,146 6,160 1,176 4,179 1,180 11,185 2,187 6,191 3,192 10,200 3,205 2,206 9,209 2,211 1,214 4,218 2,219 6,227 5,231 2,232 4,237 1,239 4,243 2,244 4,249 1,251 3,255 2,256 3,264 1,268 1,269 4,272 1,277 2,281 1818,282 21.309,283 21.309,284 21.309,285 21.309,286 21.309,287 19.47,288 31.91,289 12.514,290 22.154,291 16.633,292 16.633,293 16.633,294 16.633,295 16.633,296 13.549,297 42.332,298 5.769,299 17.784,300 4.436,301 2.539,302 1.301,303 1.045,304 0.849,305 0.75,306 4.181,311 1,312 1,313 956,314 4,318 313.482,322 163.199,325 2.156,326 38.499,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 71.5,338 457,339 4.59,340 3.796,341 6.771,342 4.195,343 3.228,344 4.24,345 1.674,346 11.04,347 3.118,348 4.231,349 3.243,350 6.188,351 3.841,352 2.887,353 3.858,354 0.86,355 9.128,356 2.751,357 4.161,358 3.124,359 6.033,360 3.742,361 2.797,362 3.653,363 0.86,364 8.732,365 2.633,366 3.604,367 2.861,368 5.797,369 3.259,370 2.336,371 2.911,372 0.86,373 7.656,374 2.176,375 3.552,376 2.728,377 5.331,378 3.24,379 2.284,380 2.782,381 0.86,382 6.723,383 2.149,384 3.381,385 2.646,386 5.206,387 2.995,388 2.056,389 2.557,390 0.8,391 6.151,392 1.906,393 3.306,394 2.401,395 4.78,396 2.934,397 2.009,398 2.551,400 5.374,401 1.847,402 2.914,403 2.228,404 4.463,405 2.687,406 1.722,407 1.985,409 4.233,410 1.654,411 2.757,412 2.024,413 3.895,414 2.473,415 1.557,416 1.762,418 3.575,419 1.415,420 2.356,421 1.692,422 3.721,423 2.114,424 1.204,425 1.335,427 2.748,428 1.087,429 2.256,430 1.374,431 3.626,432 2.029,433 1.088,434 1.229,436 2.564,437 1.015,438 2.013,439 1.27,440 3.434,441 1.682,442 0.767,443 0.905,445 1.685,446 0.69,447 1.661,448 1.067,449 3.138,450 1.471,451 0.562,452 0.601,454 1.252,455 0.504,456 1.483,457 0.939,458 2.802,459 1.216,460 0.364,461 0.395,463 0.519,464 0.308,465 1.238,466 0.749,467 2.664,468 0.958,469 0.032,470 0.034,472 0.073,473 0.029,474 14.733,475 0.46,476 0.839,477 0.026,478 38.75,479 1.211,480 18,481 0.563,482 20.75,483 0.648,484 29.201,485 0.913,486 36.867,487 0.604,488 32.222,489 1.007,490 8.046,491 0.251,492 7.287,493 0.228,494 0.215,496 0.367,501 0.885,502 1.456,503 0.806,504 1.324,505 0.781,506 1.09,507 1.165,508 0.869,509 0.822,510 0.808,511 0.679,512 0.731,513 1.038,514 1.114,515 0.952,516 1.092,517 0.87,518 1.015,519 0.874,520 1.191,521 0.969,522 1.212,523 0.782,524 1.134,525 1.257,526 0.996,527 1.138,528 1.016,529 1.35,530 1.045,531 1.304,532 1.05,533 1.29,534 1.087,535 1.513,536 1.171,537 0.788,538 1.03,539 0.994,540 1.064,541 0.881,542 1.077,543 0.962,544 0.918,545 1.017,546 0.943,547 1.171,548 0.986,549 7,550 0.136,551 3.556,552 2.625,553 2.573,554 1.16,555 0.709,556 0.373,557 0.222,558 0.197,559 15246,560 43550,561 1.976,562 47.5,563 3,564 21,567 1,569 4,572 1.738,573 1.811,574 3.751,575 -0.341,577 1,582 91.203,583 1.495,584 3.392,585 4.629,586 4.885,587 5.082,588 5.18,589 3.204,590 4.875,591 4.975,592 3.977,593 1972.65,594 8.661,595 31013.8,597 1,600 361.775,601 1.531,602 4.907,603 0.206,604 0.005,605 0.076,606 0.05,607 0.054,608 0.028,609 0.021,610 0.013,611 0.009,612 0.008,613 0.471,614 0.33,615 1,616 0.956,617 172.589,618 -0.053,619 -0.236,620 0.057,621 -0.157,622 -0.079,623 -0.045,624 -0.085,625 0.22,626 0.151,627 0.21,628 0.083,629 0.241,630 0.039,631 -0.027,633 -0.03,634 0.023,635 -0.024,636 0.081,637 -0.159,638 -0.017,639 -0.174,640 0.053,641 -0.132,642 -0.105,643 -0.034,644 -0.127,645 -0.045,646 -0.126,647 -0.084,648 -0.143,649 -0.08,650 -0.283,651 -0.112,652 -0.207,653 -0.213,654 0.055,655 -0.082,656 -0.022,657 -0.089,658 0.03,659 -0.076,660 0.013,661 -0.007,662 -0.007,663 -0.006,664 -0.032,665 -0.01,666 2.2,667 5.416,668 0.5,669 36.414,670 1.013,671 1.127,672 1.843,673 3.398,674 0.637,675 3.555,676 3.871,677 4.127,678 4.369,679 4.595,680 4.654,681 4.691,682 4.673,683 4.673,684 4.522,685 8.516,686 0.613,687 443.54,688 3.555,689 5.094,690 5.938,691 6.815,692 7.68,693 8.564,694 9.438,695 10.325,696 11.205,697 12.095,698 1.6,704 1,715 5,720 7,722 12,736 1,738 1,739 3,741 61,743 14,744 2,745 34,747 63,748 24,749 12,750 7,751 5,752 3,756 3,757 4,763 1,770 2,772 15,773 9,777 2,782 1,786 3,790 1,793 29,794 8,795 1,796 8,802 1,808 0.667,809 7,829 3,833 1,846 1,849 1,850 1,858 1,859 2,864 5,868 32,875 1,876 4,878 5,881 1,893 11.5,895 1,896 1,897 1,898 4,901 17.667,902 12.567,903 7.25,904 3.438,907 2.582,908 1.34,909 0.911,910 8.285,911 10.176,912 3.761,913 4.331,914 4.875,915 5.406,916 5.916,917 6.146,918 6.361,919 6.499,920 6.615,921 6.396,922 1,923 52,924 11.835,926 4.866,927 0.026,929 7.849,931 22.249,933 17.295,936 2.349,937 75.167,940 1,941 329.591,942 151.556,943 3.124,945 122.828,948 151.556,949 452.419,950 3.124,951 47.384,952 14.254,953 47.381,954 91.263,955 77.225,957 329.591,959 329.591,960 154.68,961 122.828,964 282.506,965 158.912,966 11,968 23.079,969 126.357,970 5.243,972 329.591,973 125.952,974 151.556,977 329.591,978 56.79,979 97.89,981 122.828,982 329.591,983 125.952,984 151.556,986 0.576,987 0.344,988 0.186,989 0.104,990 20,991 11,992 0.159,993 10,994 1,995 1.125,996 4.281,997 273.575,998 0.125,999 16,1000 158,1005 24.231,1006 10.942,1007 5.894,1009 125.952,1010 8.514,1015 3.781,1017 42.683,1018 607.098,1019 42,1024 12.416,1028 0.341,1031 61.763,1032 68.777,1034 0.252,1035 0.572,1036 0.781,1037 0.824,1038 0.857,1039 0.873,1040 5.011,1041 1.722,1042 5.932,1043 5.374,1044 4.554,1045 5.017,1046 2.602,1047 6.749,1048 4.433,1049 6.216,1050 1.557,1051 7.502,1052 4.233,1053 4.205,1054 4.924,1055 0.325,1056 7.67,1057 4.049,1058 7.531,1059 1.204,1060 9.17,1061 3.575,1062 6.155,1063 7.19,1064 3.071,1065 10.766,1066 5.942,1067 8.883,1068 1.088,1069 10.896,1070 2.748,1071 6.594,1072 7.869,1073 0.268,1074 12.48,1075 6.347,1076 10.266,1077 0.767,1078 12.658,1079 2.564,1080 8.038,1081 9.657,1082 3.883,1083 15.114,1084 7.749,1085 11.67,1086 0.562,1087 14.443,1088 1.685,1089 8.846,1090 10.693,1091 0.188,1092 17.178,1093 8.522,1094 13.092,1095 0.364,1096 16.247,1097 1.252,1098 10.093,1099 12.285,1100 4.845,1101 19.648,1102 9.736,1103 3.228,1104 0.032,1105 18.065,1106 0.519,1107 11.078,1108 13.501,1109 0.125,1110 21.878,1111 10.686,1112 2.887,1113 11.04,1114 19.894,1115 0.073,1116 12.251,1117 15.002,1118 5.856,1119 24.29,1120 11.828,1121 2.797,1122 9.128,1123 21.732,1124 4.24,1125 13.32,1126 16.313,1127 0.082,1128 26.601,1129 12.863,1130 2.336,1131 8.732,1132 23.577,1133 3.858,1134 14.469,1135 17.772,1136 6.881,1137 28.994,1138 13.982,1139 2.284,1140 7.656,1141 25.43,1142 3.653,1143 15.578,1144 19.133,1145 0.054,1146 31.346,1147 15.058,1148 2.056,1149 6.723,1150 27.289,1151 2.911,1152 16.721,1153 20.573,1154 7.91,1155 33.736,1156 16.172,1157 2.009,1158 6.151,1159 29.152,1160 2.782,1161 17.851,1162 21.963,1163 0.035,1164 36.108,1165 17.27,1166 14983,1167 25514,1168 21.789,1169 38.847,1170 49.948,1171 52.327,1172 52.955,1173 49.702,1174 49.785,1175 61.593,1176 11.829,1177 142.907,1178 46.565,1179 5.548,1180 5.796,1181 6.592,1182 5.296,1183 5.228,1184 7.24,1185 3.349,1186 18.561,1187 5.118,1188 20.555,1189 1.469,1190 1.539,1191 1.557,1192 1.462,1193 1.464,1194 1.812,1195 0.348,1196 4.203,1197 1.37,1198 4.016,1199 4.02,1200 3.985,1201 3.918,1202 7.433,1203 3.932,1204 3.932,1205 3.954,1206 3.883,1207 3.832,1208 6.471,1209 3.841,1210 3.688,1211 3.734,1212 3.594,1213 3.528,1214 4.967,1215 3.53,1216 3.567,1217 3.589,1218 3.459,1219 3.41,1220 4.784,1221 3.419,1222 3.443,1223 3.526,1224 3.287,1225 3.207,1226 4.664,1227 3.213,1228 3.253,1229 3.316,1230 3.089,1231 2.963,1232 4.499,1233 2.979,1234 3.214,1235 3.268,1236 3.059,1237 2.953,1238 4.416,1239 2.966,1240 3.154,1241 3.229,1242 2.986,1243 2.902,1244 4.36,1245 2.899,1246 0.135,1247 0.112,1248 0.199,1249 0.123,1250 0.095,1251 4.59,1252 0.125,1253 3.796,1254 0.049,1255 6.771,1256 0.325,1257 4.195,1258 0.092,1259 3.228,1260 4.24,1261 1.674,1262 11.04,1263 3.118,1264 1.939,1265 1.935,1266 2.009,1267 2.054,1268 1.263,1269 2.035,1270 1.885,1271 1.864,1272 1.989,1273 2.016,1274 1.16,1275 2.008,1276 1.667,1277 1.616,1278 1.912,1279 1.86,1280 1.085,1281 1.878,1282 1.507,1283 1.484,1284 1.708,1285 1.715,1286 0.795,1287 1.706,1288 1.407,1289 1.318,1290 1.696,1291 1.663,1292 0.767,1293 1.677,1294 1.192,1295 1.119,1296 1.575,1297 1.524,1298 0.7,1299 1.539,1300 1.159,1301 1.094,1302 1.524,1303 1.448,1304 0.574,1305 1.466,1306 1.134,1307 1.053,1308 1.476,1309 1.413,1310 0.559,1311 1.442,1312 4.234,1314 5.549,1316 7.062,1318 8.678,1320 10.353,1322 8.683,1327 9.819,1328 2.205,1330 27.514,1333 1.892,1340 37.4,1341 91.203,1342 206.904,1343 282.391,1344 298.001,1345 310.001,1346 316.001,1347 73.521,1348 7.594,1349 90.6,1350 90.6,1351 18,1352 12.626,1353 3.907,1354 3.17,1355 61.8,1356 167,1357 136,1358 0.178,1359 230.155,1360 416.29,1361 553.339,1362 23032,1364 23.25,1365 0.727,1366 0.596,1367 23.25,1368 19.059,1369 15.333,1370 0.451,1371 0.303,1372 10.056,1373 14.391,1374 9.66,1375 8.109,1376 15.333,1377 10.301,1378 13.642,1379 0.29,1380 0.16,1381 13.642,1382 7.531,1383 11.177,1384 0.183,1385 0.083,1386 11.177,1387 5.065,1388 9.19,1389 0.118,1390 0.042,1391 9.19,1392 3.305,1393 7.338,1394 0.075,1395 0.022,1396 7.338,1397 2.194,1398 0.292,1399 98.76,1400 0.214,1401 30.621,1402 0.456,1403 162,1404 574.208,1405 185.227,1406 524.189,1407 704.19,1408 492,1409 189,1410 506.052,1411 212.758,1412 507.4,1413 739.19,1414 470,1415 9.627}
{0 CHEMBL194372,1 1.622,2 13.148,3 2.955,4 8.731,5 101.321,6 7.469,7 0.429,8 3.998,9 4.112,10 3.547,11 3.441,12 5.19,13 3.44,14 4.513,15 4.688,16 3.853,17 3.781,18 5.78,19 3.764,20 4.711,21 4.894,22 3.904,23 3.917,24 5.85,25 3.878,26 4.854,27 5.066,28 3.782,29 3.899,30 6,31 3.834,32 4.739,33 4.97,34 3.672,35 3.865,36 5.771,37 3.761,38 4.729,39 4.974,40 3.591,41 3.801,42 5.737,43 3.678,44 4.596,45 4.85,46 3.499,47 3.709,48 5.481,49 3.598,50 4.515,51 4.732,52 3.515,53 3.652,54 5.608,55 3.569,56 0.167,57 0.698,58 10.263,59 4.383,60 9.606,61 5.749,62 0.575,63 1.027,64 19.793,65 6.717,66 59.881,67 9.197,68 0.394,69 1.19,70 24.232,71 8.732,72 37.84,73 11.724,74 0.818,75 1.223,76 30.743,77 9.14,78 92.326,79 12.432,80 0.487,81 1.163,82 26.397,83 9.147,84 60.612,85 12.952,86 0.693,87 1.101,88 27.111,89 8.976,90 67.18,91 12.961,92 0.396,93 1.008,94 23.346,95 7.807,96 42.22,97 11.435,98 0.595,99 0.939,100 21.318,101 6.876,102 58.427,103 9.586,104 48,105 37,106 0.275,107 0.583,108 0.71,109 0.792,110 0.806,111 0.806,112 3.338,113 0.904,114 -3.89,115 -3.84,116 -3.65,121 38,123 1,126 3,127 1,129 1,144 8,145 1,146 3,161 1,168 2,176 6,179 4,180 7,185 2,187 7,192 10,197 2,200 6,206 10,209 1,211 2,214 4,218 1,219 6,227 2,231 2,232 5,235 1,237 2,239 2,244 1,249 2,251 6,255 1,256 4,259 2,264 8,269 1,272 1,277 4,281 1288,282 17.784,283 17.784,284 17.784,285 17.784,286 17.784,287 15.927,288 25.238,289 10.509,290 18.278,291 13.69,292 13.69,293 13.69,294 13.69,295 13.69,296 10.869,297 30.37,298 4.848,299 14.395,300 4.022,301 2.201,302 1.451,303 0.965,304 0.885,305 0.885,306 4.002,310 1,311 1,312 1,313 721,314 4.359,318 216.077,325 2.239,326 32.905,328 1,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 60.5,338 355,339 4.255,340 3.778,341 6.135,342 3.848,343 2.872,344 3.951,345 2.612,346 9.006,347 2.808,348 4.154,349 3.762,350 5.929,351 3.751,352 2.784,353 3.702,354 2.208,355 8.227,356 2.69,357 3.899,358 3.141,359 5.811,360 3.626,361 2.694,362 3.235,363 0.86,364 7.866,365 2.485,366 3.772,367 2.864,368 5.299,369 3.307,370 2.371,371 3.116,372 0.657,373 6.789,374 2.212,375 3.549,376 2.641,377 5.23,378 3.224,379 2.271,380 2.772,381 0.655,382 6.405,383 2.157,384 2.972,385 2.061,386 4.375,387 2.573,388 1.613,389 2.083,390 0.13,391 4.212,392 1.542,393 2.794,394 1.982,395 3.805,396 2.286,397 1.324,398 1.836,400 3.038,401 1.269,402 2.5,403 1.745,404 3.517,405 2.018,406 1.069,407 1.5,409 2.416,410 1,411 2.5,412 1.45,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.314,421 1,422 3.414,423 2,424 1,425 1.219,427 2.275,428 0.999,429 2.165,430 1,431 3.345,432 1.944,433 1,434 1.127,436 2.174,437 0.933,438 1.415,439 1,440 2.641,441 1.225,442 0.306,443 0.326,445 0.495,446 0.28,447 1.285,448 0.828,449 2.567,450 0.929,451 -0.027,452 -0.033,454 -0.064,455 -0.026,456 1,457 0.593,458 2.227,459 0.625,460 -0.327,461 -0.394,463 -0.698,464 -0.307,465 0.953,466 0.156,467 2,468 0.243,469 -0.72,470 -0.881,472 -1.635,473 -0.683,474 12.367,475 0.458,476 0.685,477 0.025,478 34.75,479 1.287,480 17.5,481 0.648,482 17.25,483 0.639,484 19.878,485 0.736,486 30.833,487 0.617,488 27.692,489 1.026,490 7.305,491 0.271,492 5.596,493 0.207,494 0.202,496 0.307,501 0.614,502 1.434,503 0.767,504 1.251,505 0.54,506 1.078,507 0.743,508 0.927,509 0.838,510 0.905,511 0.431,512 0.877,513 0.975,514 1.245,515 0.958,516 1.234,517 0.603,518 1.115,519 1.381,520 0.931,521 1.183,522 0.942,523 1.233,524 1.01,525 0.762,526 1.082,527 0.979,528 1.143,529 0.816,530 1.123,531 0.645,532 0.969,533 0.924,534 1.025,535 0.455,536 1.048,537 0.668,538 1.006,539 0.858,540 1.003,541 0.407,542 0.98,543 0.927,544 0.885,545 1.061,546 0.93,547 0.964,548 1.015,549 6,550 0.165,551 3.333,552 1.25,553 1.084,554 0.847,555 0.527,556 0.345,557 0.222,558 0.238,559 9300,560 31483,561 1.933,562 46,564 20,567 1,570 2,572 1.694,573 1.78,574 3.667,575 -0.272,576 1,577 1,582 81.076,583 1.622,584 3.443,585 4.193,586 4.679,587 4.759,588 4.759,589 3.134,590 4.236,591 4.723,592 3.88,593 1361.92,594 8.166,595 18929.9,597 1,599 1,600 282.193,601 1.51,602 4.664,603 0.214,604 0.008,605 0.09,606 0.033,607 0.034,608 0.029,609 0.02,610 0.014,611 0.009,612 0.01,613 0.462,614 0.33,615 1,616 1.363,617 138.343,618 0.102,619 -0.155,620 0.056,621 -0.102,622 -0.018,623 -0.053,624 0.158,625 0.209,626 0.083,627 0.126,628 0.222,629 0.103,630 -0.089,631 -0.192,632 -0.036,633 -0.175,634 0.04,635 -0.103,636 -0.233,637 0.016,638 -0.176,639 0.025,640 -0.156,641 -0.051,642 -0.01,643 -0.105,644 -0.042,645 -0.115,646 -0.047,647 -0.092,648 0.148,649 -0.044,650 0.039,651 -0.017,652 0.086,653 -0.019,655 -0.048,656 0.084,657 0.008,658 0.026,659 0.059,660 -0.012,661 0.12,662 -0.101,663 0.066,664 -0.101,665 -0.026,666 2.444,667 4.559,668 0.444,669 31.152,670 1.016,671 1.134,672 2.656,673 7.053,674 0.638,675 3.367,676 3.638,677 3.807,678 3.892,679 4.06,680 4.06,681 4.111,682 4.078,683 4.043,684 4.043,685 7.787,686 0.618,687 373.45,688 3.367,689 4.875,690 5.68,691 6.512,692 7.334,693 8.166,694 8.993,695 9.826,696 10.655,697 11.489,698 6,700 1,705 1,709 1,715 8,720 4,722 12,735 1,737 1,739 1,741 50,743 15,744 2,745 28,747 51,748 19,749 12,750 4,751 8,756 2,757 2,770 2,772 13,773 6,777 3,779 1,782 3,786 1,789 1,790 1,793 23,794 7,795 1,796 8,802 3,808 1,809 5,829 2,853 1,859 2,864 3,868 27,876 2,877 1,878 2,880 1,881 1,893 10,896 1,898 2,899 2,901 15.167,902 9.733,903 6.167,904 2.761,907 2.277,908 1.337,909 0.909,910 7.733,911 9.023,912 3.638,913 4.159,914 4.59,915 5.002,916 5.489,917 5.581,918 5.758,919 5.678,920 5.639,921 5.809,922 0.889,923 38,924 9.929,926 4.026,927 0.026,929 8.062,931 18.4,933 14.023,936 2.562,937 69.167,940 1,941 258.964,942 131.318,943 26.805,945 97.892,948 131.318,949 356.856,950 26.805,951 30.859,952 10.251,953 93.821,954 25.145,955 38.429,956 6.763,957 258.964,958 50.747,959 258.964,960 158.123,961 97.892,964 235.422,965 70.687,966 50.747,968 28.262,969 124.191,970 5.67,972 258.964,973 124.697,974 131.318,977 258.964,978 30.319,979 109.793,980 18.011,981 97.892,982 258.964,983 124.697,984 131.318,986 0.575,987 0.327,988 0.148,989 0.077,990 14,991 8,992 0.176,993 9,995 1,996 3.92,997 202.362,999 12,1000 116.382,1005 20.84,1006 10.019,1007 6.325,1009 119.027,1010 13.283,1015 2.135,1017 18.011,1018 514.979,1019 37,1021 -0.444,1024 32.867,1028 -0.426,1031 50.778,1032 56.694,1034 0.287,1035 0.61,1036 0.743,1037 0.829,1038 0.843,1039 0.843,1040 4.844,1041 1.069,1042 5.652,1043 3.038,1044 4.317,1045 4.844,1046 3.166,1047 6.382,1048 4.225,1049 6.027,1050 1,1051 7.179,1052 2.416,1053 3.892,1054 4.635,1055 2.769,1056 7.177,1057 3.746,1058 7.311,1059 1,1060 8.8,1061 2.275,1062 5.849,1063 6.941,1064 4.587,1065 10.145,1066 5.668,1067 8.627,1068 1,1069 10.475,1070 2.275,1071 6.196,1072 7.495,1073 4.854,1074 11.706,1075 5.962,1076 9.971,1077 0.306,1078 12.183,1079 2.174,1080 7.634,1081 9.311,1082 6.263,1083 14.175,1084 7.374,1085 11.332,1086 -0.027,1087 13.911,1088 0.495,1089 8.323,1090 10.208,1091 6.822,1092 16.053,1093 8.014,1094 12.706,1095 -0.327,1096 15.652,1097 -0.064,1098 9.54,1099 11.815,1100 8.027,1101 18.335,1102 9.211,1103 2.872,1104 -0.72,1105 17.404,1106 -0.698,1107 10.395,1108 12.894,1109 8.746,1110 20.361,1111 10.023,1112 2.784,1113 9.006,1114 19.163,1115 -1.635,1116 11.511,1117 14.394,1118 9.841,1119 22.569,1120 11.119,1121 2.694,1122 8.227,1123 20.927,1124 3.951,1125 12.45,1126 15.578,1127 10.654,1128 24.667,1129 12.021,1130 2.371,1131 7.866,1132 22.696,1133 3.702,1134 13.52,1135 17.019,1136 11.688,1137 26.848,1138 13.07,1139 2.271,1140 6.789,1141 24.469,1142 3.235,1143 14.503,1144 18.269,1145 12.558,1146 28.981,1147 14.021,1148 1.613,1149 6.405,1150 26.244,1151 3.116,1152 15.551,1153 19.675,1154 13.559,1155 31.154,1156 15.049,1157 1.324,1158 4.212,1159 28.023,1160 2.772,1161 16.557,1162 20.966,1163 14.463,1164 33.307,1165 16.027,1166 9446,1167 17553,1168 17.8,1169 31.904,1170 40.863,1171 42.768,1172 42.41,1173 40.632,1174 40.609,1175 52.738,1176 14.245,1177 110.356,1178 38.745,1179 5.161,1180 5.778,1181 5.733,1182 4.909,1183 4.872,1184 6.951,1185 4.612,1186 15.069,1187 4.808,1188 17.341,1189 1.459,1190 1.527,1191 1.515,1192 1.451,1193 1.45,1194 1.883,1195 0.509,1196 3.941,1197 1.384,1198 3.998,1199 4.024,1200 3.954,1201 3.887,1202 7.815,1203 3.891,1204 3.937,1205 3.963,1206 3.883,1207 3.831,1208 7.433,1209 3.839,1210 3.654,1211 3.71,1212 3.568,1213 3.428,1214 6.999,1215 3.441,1216 3.574,1217 3.633,1218 3.498,1219 3.321,1220 4.847,1221 3.346,1222 3.47,1223 3.506,1224 3.378,1225 3.076,1226 4.798,1227 3.155,1228 3.251,1229 3.342,1230 3.051,1231 2.954,1232 4.386,1233 2.973,1234 3.045,1235 3.068,1236 2.903,1237 2.783,1238 4.26,1239 2.803,1240 2.874,1241 3.009,1242 2.687,1243 2.735,1244 4.209,1245 2.715,1246 0.152,1247 0.135,1248 0.219,1249 0.137,1250 0.103,1251 4.255,1252 0.141,1253 3.778,1254 0.093,1255 6.135,1256 0.322,1257 3.848,1258 0.1,1259 2.872,1260 3.951,1261 2.612,1262 9.006,1263 2.808,1264 1.928,1265 1.904,1266 2.047,1267 2.082,1268 1.282,1269 2.052,1270 1.896,1271 1.874,1272 1.992,1273 2.028,1274 1.065,1275 2.021,1276 1.575,1277 1.52,1278 1.802,1279 1.842,1280 0.966,1281 1.826,1282 1.5,1283 1.423,1284 1.769,1285 1.757,1286 0.833,1287 1.758,1288 1.273,1289 1.205,1290 1.617,1291 1.658,1292 0.679,1293 1.605,1294 1.152,1295 1.096,1296 1.417,1297 1.513,1298 0.469,1299 1.495,1300 0.935,1301 0.903,1302 1.25,1303 1.242,1304 0.395,1305 1.308,1306 0.934,1307 0.821,1308 1.181,1309 1.239,1310 0.218,1311 1.202,1312 4.043,1314 5.323,1316 6.786,1318 8.323,1320 9.897,1322 5.105,1328 1.144,1329 3.222,1330 10.863,1332 0.057,1333 1.361,1340 30.906,1341 81.076,1342 172.135,1343 209.663,1344 233.928,1345 237.928,1346 237.928,1347 66.924,1348 6.746,1349 96.62,1350 96.62,1351 12,1352 12.06,1353 4,1354 3.322,1355 58.881,1356 124,1357 115,1358 0.225,1359 195.183,1360 346.57,1361 468.007,1362 7399,1364 19.811,1365 0.734,1366 0.576,1367 19.811,1368 15.546,1369 12.901,1370 0.461,1371 0.301,1372 8.257,1373 12.132,1374 7.99,1375 6.727,1376 12.901,1377 8.44,1378 11.362,1379 0.307,1380 0.164,1381 11.362,1382 6.061,1383 8.947,1384 0.203,1385 0.089,1386 8.947,1387 3.924,1388 6.279,1389 0.131,1390 0.05,1391 6.279,1392 2.397,1393 4.83,1394 0.085,1395 0.027,1396 4.83,1397 1.517,1398 0.367,1399 82.909,1400 0.237,1401 26.768,1402 0.577,1403 130,1404 486.301,1405 149.609,1406 453.301,1407 592.2,1408 418,1409 146,1410 422.968,1411 164.618,1412 419.204,1413 597.66,1414 388,1415 6.996}
{0 CHEMBL194823,1 1.584,2 14.452,3 5.728,4 32.808,5 135.939,6 7.59,7 0.324,8 4.209,9 4.333,10 3.921,11 3.858,12 5.109,13 3.748,14 4.81,15 4.996,16 4.2,17 4.275,18 5.666,19 4.129,20 5.123,21 5.375,22 4.156,23 4.37,24 5.918,25 4.193,26 5.059,27 5.309,28 4.102,29 4.289,30 5.904,31 4.131,32 5.039,33 5.285,34 4.03,35 4.29,36 5.835,37 4.118,38 5.067,39 5.32,40 4.009,41 4.287,42 5.854,43 4.086,44 5.069,45 5.349,46 3.972,47 4.196,48 5.821,49 3.981,50 4.933,51 5.22,52 3.864,53 4.007,54 5.758,55 3.809,56 0.059,57 0.915,58 17.696,59 7.118,60 5.541,61 8.837,62 0.192,63 1.555,64 31.636,65 12.534,66 19.031,67 16.233,68 0.356,69 1.957,70 51.187,71 16.944,72 36.033,73 21.52,74 0.45,75 1.84,76 43.354,77 14.426,78 42.091,79 19.167,80 0.328,81 1.79,82 41.036,83 14.58,84 33.418,85 19.323,86 0.379,87 1.775,88 43.433,89 15.696,90 39.782,91 20.713,92 0.349,93 1.702,94 47.551,95 15.576,96 34.344,97 20.626,98 0.427,99 1.458,100 44.968,101 12.961,102 39.754,103 17.018,104 5,105 45,106 0.256,107 0.53,108 0.73,109 0.866,110 0.9,111 0.9,112 3.471,113 1.267,114 -5.17,115 -5.06,116 -4.74,121 38.1,123 10,127 3,129 1,144 3,145 2,146 2,148 2,160 1,176 9,180 5,183 1,185 5,187 13,192 4,197 3,200 8,206 5,209 1,210 1,211 5,214 11,219 1,224 2,227 10,232 1,235 1,237 4,239 11,244 1,249 4,251 5,256 2,259 1,261 5,264 4,269 2,274 2,277 5,281 1802,282 21.397,283 21.397,284 21.397,285 21.397,286 21.397,287 19.93,288 22.013,289 13.17,290 21.941,291 16.852,292 16.852,293 16.852,294 16.852,295 16.852,296 14.456,297 21.71,298 6.331,299 17.717,300 4.394,301 2.703,302 1.465,303 0.627,304 0.413,305 0.413,306 4.172,308 1,312 1,313 981,314 3.937,317 100.062,318 226.587,322 259.934,325 2.121,326 22.504,329 1,330 0.67,331 0.83,332 1,333 1,334 1,335 1,336 0.93,337 64.833,338 448,339 4.651,340 4.08,341 6.833,342 4.214,343 3.235,344 4.582,345 1.907,346 11.364,347 3.165,348 3.99,349 3.574,350 6.004,351 3.58,352 2.61,353 3.534,354 0.4,355 8.477,356 2.532,357 3.661,358 3.373,359 5.427,360 3.468,361 2.545,362 2.961,363 0.149,364 6.998,365 2.397,366 3.583,367 3.354,368 5.353,369 3.377,370 2.377,371 2.829,373 6.886,374 2.296,375 3.538,376 2.943,377 5.034,378 3.19,379 2.25,380 2.699,382 6.09,383 2.1,384 3.365,385 2.562,386 4.899,387 2.882,388 1.982,389 2.54,391 5.573,392 1.705,393 2.75,394 2.272,395 4.121,396 2.647,397 1.674,398 1.788,400 3.571,401 1.625,402 2.615,403 1.861,404 3.957,405 2.489,406 1.519,407 1.631,409 3.374,410 1.464,411 2.546,412 1.663,413 3.714,414 2.422,415 1.431,416 1.538,418 3.212,419 1.412,420 2.488,421 1.543,422 3.625,423 2.249,424 1.257,425 1.487,427 3.042,428 1.246,429 2.166,430 1.434,431 3.523,432 2.068,433 1.15,434 1.161,436 2.558,437 1.041,438 2.096,439 1.328,440 3.289,441 1.957,442 1.005,443 1.062,445 2.273,446 0.937,447 1.786,448 1.092,449 3.034,450 1.59,451 0.627,452 0.694,454 1.409,455 0.596,456 1.618,457 0.919,458 3,459 1.571,460 0.618,461 0.618,463 1.372,464 0.579,465 1.382,466 0.73,467 2.866,468 1.25,469 0.288,470 0.304,472 0.638,473 0.272,474 15.914,475 0.513,476 0.554,477 0.018,478 31,479 1,480 12,481 0.387,482 19,483 0.613,484 37.096,485 1.197,486 34.486,487 0.547,488 17.329,489 0.559,490 4.157,491 0.134,492 11.046,493 0.356,494 0.066,496 0.251,501 0.689,502 1.159,503 0.626,504 0.848,505 0.525,506 0.959,507 0.669,508 1.204,509 0.862,510 1.036,511 0.504,512 1.066,513 1.049,514 1.063,515 1.008,516 1.011,517 0.96,518 0.954,519 1.133,520 0.948,521 0.845,522 0.868,523 1.148,524 0.953,525 1.118,526 0.994,527 0.831,528 0.898,529 1.156,530 1.009,531 0.853,532 1.058,533 0.832,534 0.978,535 1.04,536 1.086,537 0.93,538 1.031,539 0.843,540 0.926,541 0.985,542 0.986,543 1.336,544 0.883,545 0.978,546 0.847,547 1.342,548 0.878,549 4.5,550 0.119,551 2.667,552 1.722,553 1.516,554 0.601,555 0.518,556 0.261,557 0.231,558 0.2,559 15811,560 38983,561 2.123,562 50.8,563 10,564 10,567 2,568 4,569 2,570 4,572 1.73,573 2.044,574 3.722,575 0.193,582 99.775,583 1.584,584 3.274,585 4.512,586 5.35,587 5.565,588 5.565,589 3.168,590 4.632,591 4.924,592 3.995,593 1857.45,594 8.563,595 28953.1,600 376.569,601 1.14,602 4.91,603 0.132,604 0.005,605 0.059,606 0.039,607 0.037,608 0.016,609 0.015,610 0.009,611 0.009,612 0.008,613 0.329,614 0.17,615 0.88,616 0.415,617 166.296,618 -0.007,619 0.017,620 0.151,621 0.126,622 0.028,623 0.058,624 0.064,625 -0.11,626 -0.015,627 -0.055,628 0.102,629 -0.066,630 -0.073,631 -0.055,632 -0.066,633 -0.041,634 -0.029,635 0.018,636 -0.028,637 0.07,638 -0.046,639 -0.009,640 -0.05,641 -0.02,642 -0.138,643 0.007,644 -0.072,645 -0.028,646 -0.113,647 -0.062,648 0.046,649 -0.106,650 -0.044,651 -0.092,652 -0.029,653 -0.121,654 0.041,655 -0.132,656 0.044,657 -0.047,658 -0.005,659 -0.023,660 0.003,661 0.021,662 0.034,663 0.02,664 -0.017,665 0.059,666 1.477,667 5.109,668 0.613,669 36.352,670 0.99,671 1.122,672 3.942,673 15.536,674 0.683,675 3.555,676 3.829,677 4.078,678 4.344,679 4.554,680 4.644,681 4.762,682 4.875,683 4.927,684 4.812,685 8.595,686 0.617,687 478.18,688 3.555,689 5.069,690 5.9,691 6.758,692 7.612,693 8.484,694 9.352,695 10.232,696 11.109,697 11.997,698 4.8,703 1,705 1,708 1,714 2,715 3,716 1,720 4,722 11,734 1,740 1,741 63,743 12,744 1,745 34,747 66,748 24,749 9,750 3,751 3,756 4,757 7,758 1,767 6,770 11,772 10,773 14,777 1,782 1,786 1,793 32,794 4,795 2,796 7,797 3,802 3,808 0.5,809 1,822 1,828 1,829 3,833 2,843 1,859 2,861 1,862 2,865 1,868 31,876 13,877 2,879 2,880 1,892 1,893 1.6,896 1,901 15.167,902 10.926,903 6.944,904 4.372,907 2.431,908 1.314,909 0.98,910 8.976,911 10.18,912 3.726,913 4.241,914 4.779,915 5.367,916 5.957,917 6.324,918 6.692,919 7.061,920 7.341,921 7.206,922 1,923 44,924 11.571,926 4.87,927 0.026,929 7.477,931 23.214,933 19.772,936 1.977,937 61.278,941 353.133,942 140.87,943 52.807,944 39.149,945 25.145,947 60.363,948 80.507,949 417.427,950 52.807,952 48.467,953 28.429,954 64.646,955 16.917,957 413.497,958 39.149,959 353.133,960 133.314,961 25.145,962 99.512,964 282.506,965 95.772,968 53.368,969 45.149,970 73.945,971 60.363,972 353.133,973 77.952,974 180.019,977 353.133,978 112.441,979 28.429,980 36.022,981 81.079,982 353.133,983 77.952,984 180.019,986 0.564,987 0.321,988 0.178,989 0.095,990 20,991 8,992 0.152,993 10,994 2,995 1.211,996 4.494,997 261.965,998 0.211,999 19,1000 151.58,1001 2,1005 23.381,1006 11.901,1007 6.613,1008 2.117,1009 77.952,1010 5.976,1011 4.882,1015 4.52,1017 36.022,1018 611.104,1019 40.5,1024 12.109,1028 0.19,1031 62.363,1032 70.716,1034 0.265,1035 0.548,1036 0.755,1037 0.895,1038 0.931,1039 0.931,1040 4.954,1041 1.519,1042 5.844,1043 3.571,1044 4.511,1045 4.927,1046 1.997,1047 6.605,1048 4.421,1049 6.101,1050 1.431,1051 7.361,1052 3.374,1053 3.892,1054 4.732,1055 1.593,1056 7.424,1057 3.744,1058 7.382,1059 1.257,1060 8.985,1061 3.212,1062 6.038,1063 7.079,1064 2.907,1065 10.566,1066 5.884,1067 8.705,1068 1.15,1069 10.678,1070 3.042,1071 6.312,1072 7.806,1073 3.032,1074 12.32,1075 6.118,1076 10.07,1077 1.005,1078 12.42,1079 2.558,1080 7.858,1081 9.637,1082 4.038,1083 14.977,1084 7.658,1085 11.464,1086 0.627,1087 14.196,1088 2.273,1089 8.579,1090 10.79,1091 4.409,1092 17.123,1093 8.354,1094 12.883,1095 0.618,1096 15.999,1097 1.409,1098 9.879,1099 12.43,1100 5.25,1101 19.628,1102 9.644,1103 3.235,1104 0.288,1105 17.823,1106 1.372,1107 10.828,1108 13.784,1109 5.75,1110 21.938,1111 10.575,1112 2.61,1113 11.364,1114 19.663,1115 0.638,1116 12.03,1117 15.35,1118 6.501,1119 24.392,1120 11.765,1121 2.545,1122 8.477,1123 21.517,1124 4.582,1125 13.092,1126 16.795,1127 7.068,1128 26.771,1129 12.81,1130 2.377,1131 6.998,1132 23.381,1133 3.534,1134 14.262,1135 18.332,1136 7.771,1137 29.209,1138 13.965,1139 2.25,1140 6.886,1141 25.255,1142 2.961,1143 15.379,1144 19.819,1145 8.374,1146 31.616,1147 15.065,1148 1.982,1149 6.09,1150 27.136,1151 2.829,1152 16.541,1153 21.345,1154 9.051,1155 34.048,1156 16.211,1157 1.674,1158 5.573,1159 29.024,1160 2.699,1161 17.685,1162 22.851,1163 9.674,1164 36.468,1165 17.336,1166 14817,1167 23424,1168 23.345,1169 43.046,1170 48.985,1171 53.544,1172 49.946,1173 49.398,1174 49.185,1175 58.918,1176 4.912,1177 133.806,1178 46.785,1179 5.641,1180 6.08,1181 6.603,1182 5.259,1183 5.235,1184 7.582,1185 3.306,1186 18.902,1187 5.165,1188 10.67,1189 1.441,1190 1.575,1191 1.469,1192 1.453,1193 1.447,1194 1.733,1195 0.144,1196 3.935,1197 1.376,1198 4.115,1199 4.144,1200 4.233,1201 4.046,1202 7.429,1203 4.05,1204 3.827,1205 3.875,1206 4.124,1207 3.795,1208 5.037,1209 3.711,1210 3.737,1211 3.78,1212 3.779,1213 3.661,1214 4.685,1215 3.646,1216 3.701,1217 3.759,1218 3.65,1219 3.563,1220 4.283,1221 3.542,1222 3.565,1223 3.625,1224 3.462,1225 3.437,1226 4.216,1227 3.409,1228 3.349,1229 3.417,1230 3.379,1231 3.196,1232 4.157,1233 3.186,1234 3.233,1235 3.284,1236 3.237,1237 3.096,1238 4.062,1239 3.078,1240 3.135,1241 3.213,1242 3.009,1243 2.968,1244 3.938,1245 2.963,1246 0.137,1247 0.12,1248 0.201,1249 0.124,1250 0.095,1251 4.651,1252 0.135,1253 4.08,1254 0.056,1255 6.833,1256 0.334,1257 4.214,1258 0.093,1259 3.235,1260 4.582,1261 1.907,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.148,1267 2.158,1268 1.435,1269 2.158,1270 1.776,1271 1.723,1272 2,1273 1.948,1274 1.38,1275 1.967,1276 1.75,1277 1.709,1278 1.93,1279 1.865,1280 1.217,1281 1.894,1282 1.654,1283 1.587,1284 1.892,1285 1.847,1286 1.141,1287 1.872,1288 1.521,1289 1.461,1290 1.769,1291 1.701,1292 1.122,1293 1.731,1294 1.314,1295 1.261,1296 1.546,1297 1.534,1298 0.845,1299 1.553,1300 1.24,1301 1.198,1302 1.469,1303 1.397,1304 0.757,1305 1.435,1306 1.135,1307 1.061,1308 1.421,1309 1.346,1310 0.637,1311 1.378,1312 4.234,1314 5.517,1315 2.398,1316 6.993,1317 4.443,1318 8.575,1319 6.26,1320 10.225,1323 6.205,1328 13.71,1329 6.74,1331 4.018,1332 0.81,1340 38.883,1341 99.775,1342 206.271,1343 284.246,1344 337.059,1345 350.569,1346 350.569,1347 55.691,1348 7.75,1349 54.02,1350 104.62,1351 23,1352 12.53,1353 3.7,1354 2.907,1355 49.936,1356 160,1357 162,1358 0.146,1359 248.823,1360 430.7,1361 598.887,1362 29829,1363 1.6,1364 21.468,1365 0.693,1366 0.659,1367 22.675,1368 20.441,1369 15.204,1370 0.447,1371 0.422,1372 11.72,1373 13.708,1374 11.305,1375 9.286,1376 16.571,1377 14.364,1378 13.128,1379 0.292,1380 0.26,1381 14.805,1382 11.71,1383 10.745,1384 0.185,1385 0.161,1386 12.391,1387 9.352,1388 9.003,1389 0.118,1390 0.1,1391 10.645,1392 7.635,1393 7.056,1394 0.075,1395 0.049,1396 7.9,1397 4.613,1398 0.241,1399 105.832,1400 0.207,1401 30.149,1402 0.371,1403 158,1404 377.971,1405 222.453,1406 440.165,1407 592.52,1408 414,1409 182,1410 376.271,1411 239.353,1412 419.371,1413 609.67,1414 399,1415 4.347}
{0 CHEMBL195067,1 1.415,2 17.176,3 7.012,4 49.168,5 149.581,6 6.665,7 0.297,8 4.363,9 4.498,10 3.957,11 3.98,12 5.209,13 3.865,14 4.975,15 5.177,16 4.194,17 4.392,18 5.754,19 4.233,20 5.298,21 5.571,22 4.144,23 4.489,24 6.003,25 4.297,26 5.246,27 5.517,28 4.085,29 4.424,30 5.986,31 4.246,32 5.232,33 5.501,34 4.025,35 4.423,36 5.951,37 4.233,38 5.249,39 5.524,40 3.934,41 4.415,42 5.932,43 4.199,44 5.241,45 5.538,46 3.891,47 4.332,48 5.904,49 4.103,50 5.132,51 5.436,52 3.796,53 4.194,54 5.813,55 3.972,56 0.093,57 1.085,58 22.433,59 8.697,60 8.777,61 11.212,62 0.242,63 1.831,64 37.953,65 14.882,66 22.066,67 19.944,68 0.359,69 2.294,70 54.329,71 19.186,72 35.55,73 25.714,74 0.401,75 2.173,76 48.364,77 16.941,78 38.594,79 23.598,80 0.363,81 2.127,82 47.61,83 17.109,84 35.368,85 23.696,86 0.334,87 2.111,88 48.224,89 18.036,90 34.081,91 24.67,92 0.352,93 2.022,94 48.207,95 17.461,96 34.736,97 24.158,98 0.377,99 1.791,100 43.293,101 15.233,102 35.358,103 21.125,104 2,105 47,106 0.221,107 0.46,108 0.656,109 0.82,110 0.881,111 0.894,112 3.559,113 1.288,114 -5.51,115 -5.38,116 -5.03,121 37.3,123 14,127 3,129 1,144 4,145 2,146 1,148 2,160 1,176 15,180 5,183 1,185 5,187 15,192 5,197 5,200 10,206 4,209 1,211 7,214 11,219 2,224 5,227 15,232 2,237 2,239 17,244 3,249 1,251 16,256 2,260 1,264 14,269 1,277 12,281 2350,282 23.777,283 23.777,284 23.777,285 23.777,286 23.777,287 22.335,288 20.412,289 15.034,290 24.186,291 18.369,292 18.369,293 18.369,294 18.369,295 18.369,296 16.043,297 18.569,298 7.252,299 18.967,300 4.814,301 3.284,302 2.032,303 0.98,304 0.587,305 0.507,306 4.263,312 1,313 1277,314 4.359,317 118.594,318 272.296,322 312.496,325 2.744,326 19.567,329 0.75,330 0.67,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.8,337 70.5,338 584,339 4.64,340 4.08,341 6.829,342 4.207,343 3.226,344 4.564,345 1.907,346 11.348,347 3.162,348 3.914,349 3.574,350 5.982,351 3.524,352 2.545,353 3.437,354 0.4,355 8.37,356 2.512,357 3.661,358 3.361,359 5.381,360 3.468,361 2.532,362 2.893,363 0.149,364 6.998,365 2.398,366 3.538,367 3.354,368 5.353,369 3.378,370 2.376,371 2.829,373 6.711,374 2.296,375 3.522,376 2.669,377 5.034,378 3.136,379 2.182,380 2.54,382 6.09,383 2.079,384 2.941,385 2.356,386 4.116,387 2.866,388 1.87,389 2.142,391 3.81,392 1.861,393 2.887,394 1.933,395 3.983,396 2.586,397 1.611,398 1.894,400 3.426,401 1.566,402 2.651,403 1.763,404 3.848,405 2.515,406 1.532,407 1.676,409 3.329,410 1.505,411 2.581,412 1.663,413 3.694,414 2.465,415 1.482,416 1.587,418 3.243,419 1.448,420 2.524,421 1.572,422 3.614,423 2.345,424 1.347,425 1.518,427 3.069,428 1.343,429 2.484,430 1.449,431 3.594,432 2.242,433 1.247,434 1.482,436 2.902,437 1.24,438 2.207,439 1.35,440 3.473,441 2.131,442 1.186,443 1.201,445 2.565,446 1.116,447 2.12,448 1.344,449 3.293,450 1.999,451 1.064,452 1.098,454 2.308,455 0.971,456 1.904,457 1.093,458 3.078,459 1.759,460 0.78,461 0.847,463 1.747,464 0.76,465 1.618,466 0.978,467 3,468 1.58,469 0.618,470 0.618,472 1.372,473 0.585,474 17.2,475 0.506,476 0.448,477 0.013,478 32.25,479 0.949,480 12,481 0.353,482 20.25,483 0.596,484 42.302,485 1.244,486 38.6,487 0.515,488 17.096,489 0.503,490 4.084,491 0.12,492 12.725,493 0.374,494 0.019,496 0.203,501 0.771,502 1.203,503 0.767,504 0.96,505 0.557,506 1.062,507 0.735,508 1.242,509 1.023,510 1.131,511 0.551,512 1.159,513 1.068,514 1.048,515 1.031,516 1.007,517 0.956,518 0.956,519 1.3,520 0.979,521 0.907,522 0.886,523 1.217,524 0.962,525 1.304,526 0.973,527 0.95,528 0.922,529 1.238,530 1.015,531 1.117,532 1.005,533 0.951,534 0.98,535 1.188,536 1.078,537 0.918,538 0.973,539 0.79,540 0.915,541 1.088,542 0.989,543 1.075,544 0.859,545 0.732,546 0.816,547 1.333,548 0.899,549 3.5,550 0.065,551 2.444,552 1.535,553 1.325,554 0.462,555 0.397,556 0.214,557 0.161,558 0.102,559 22812,560 47036,561 2.13,562 54.7,563 16,564 11,567 2,568 4,569 6,570 2,572 1.749,573 2.082,574 3.947,575 0.118,582 106.141,583 1.415,584 2.944,585 4.197,586 5.249,587 5.642,588 5.722,589 3.3,590 4.382,591 5.06,592 4.266,593 2392.99,594 8.808,595 42991.8,600 467.161,601 0.915,602 5.057,603 0.095,604 0.003,605 0.052,606 0.033,607 0.031,608 0.012,609 0.011,610 0.007,611 0.006,612 0.004,613 0.253,614 0.17,615 0.63,616 0.299,617 191.814,618 0.02,619 0.013,620 0.188,621 0.118,622 0.047,623 0.054,624 0.082,625 -0.131,626 -0.044,627 -0.09,628 0.087,629 -0.103,630 -0.034,631 -0.046,632 -0.041,633 -0.029,634 -0.004,635 0.023,636 -0.077,637 0.025,638 -0.046,639 -0.005,640 -0.061,641 -0.011,642 -0.152,643 0.024,644 -0.093,645 -0.03,646 -0.109,647 -0.054,648 -0.117,649 -0.045,650 -0.107,651 -0.079,652 -0.115,653 -0.107,654 0.034,655 -0.063,656 0.023,657 -0.043,658 -0.025,659 -0.035,660 0.062,661 0.043,662 0.075,663 0.032,664 -0.025,665 0.034,666 1.425,667 5.01,668 0.559,669 45.066,670 0.981,671 1.126,672 4.277,673 18.296,674 0.656,675 3.638,676 3.871,677 4.111,678 4.357,679 4.543,680 4.595,681 4.71,682 4.787,683 4.828,684 4.682,685 10.4,686 0.589,687 499.86,688 3.638,689 5.13,690 5.948,691 6.788,692 7.63,693 8.486,694 9.343,695 10.21,696 11.078,697 11.954,698 4,703 1,705 1,708 1,714 2,715 4,716 1,720 3,722 11,734 1,741 75,743 12,744 1,745 37,747 78,748 28,749 9,750 2,751 4,756 4,757 7,767 6,770 15,772 10,773 18,777 1,782 1,786 1,793 41,794 4,795 2,796 6,797 2,802 3,808 0.5,809 1,822 1,828 1,829 3,833 2,843 1,859 2,861 1,862 2,868 34,876 17,877 2,879 2,880 1,893 1.3,896 1,901 16.333,902 12.867,903 7.778,904 5.392,907 2.402,908 1.307,909 0.969,910 11.081,911 10.225,912 3.795,913 4.256,914 4.775,915 5.338,916 5.901,917 6.217,918 6.588,919 6.922,920 7.211,921 7.018,922 0.909,923 46,924 12.722,926 5.267,927 0.026,929 7.368,931 25.92,933 21.962,936 1.868,937 63.5,941 459.073,942 156.984,943 52.807,945 25.145,947 60.363,948 96.62,949 484.218,950 52.807,952 58.605,953 37.905,954 64.646,955 13.416,957 519.436,959 459.073,960 149.427,961 25.145,962 60.363,964 364.904,965 119.314,968 63.506,969 51.125,970 34.796,971 60.363,972 459.073,973 77.952,974 156.984,977 459.073,978 119.079,979 37.905,980 36.022,981 41.93,982 459.073,983 77.952,984 156.984,986 0.552,987 0.313,988 0.175,989 0.091,990 19,991 7,992 0.179,993 14,994 2,995 1.211,996 4.925,997 282.41,998 0.211,999 19,1000 170.974,1001 2,1005 26.011,1006 14.484,1007 8.248,1008 2.398,1009 77.952,1010 8.565,1011 4.94,1015 4.099,1017 36.022,1018 694.009,1019 43.5,1024 12.01,1028 0.241,1031 73.574,1032 84.433,1034 0.227,1035 0.473,1036 0.674,1037 0.843,1038 0.906,1039 0.919,1040 5.002,1041 1.532,1042 5.861,1043 3.426,1044 4.554,1045 4.942,1046 1.997,1047 6.589,1048 4.496,1049 6.114,1050 1.482,1051 7.352,1052 3.329,1053 3.761,1054 4.605,1055 1.593,1056 7.357,1057 3.686,1058 7.37,1059 1.347,1060 8.956,1061 3.243,1062 6.038,1063 7.037,1064 2.907,1065 10.523,1066 5.928,1067 8.672,1068 1.247,1069 10.638,1070 3.069,1071 6.217,1072 7.712,1073 3.032,1074 12.286,1075 6.084,1076 10.022,1077 1.186,1078 12.375,1079 2.902,1080 7.829,1081 9.578,1082 4.038,1083 14.943,1084 7.676,1085 11.407,1086 1.064,1087 14.151,1088 2.565,1089 8.506,1090 10.717,1091 4.409,1092 17.099,1093 8.331,1094 12.82,1095 0.78,1096 15.957,1097 2.308,1098 9.835,1099 12.371,1100 5.25,1101 19.602,1102 9.644,1103 3.226,1104 0.618,1105 17.784,1106 1.747,1107 10.766,1108 13.721,1109 5.75,1110 21.917,1111 10.556,1112 2.545,1113 11.348,1114 19.628,1115 1.372,1116 11.981,1117 15.291,1118 6.501,1119 24.37,1120 11.756,1121 2.532,1122 8.37,1123 21.485,1124 4.564,1125 13.036,1126 16.734,1127 7.068,1128 26.75,1129 12.793,1130 2.376,1131 6.998,1132 23.353,1133 3.437,1134 14.211,1135 18.272,1136 7.771,1137 29.187,1138 13.952,1139 2.182,1140 6.711,1141 25.23,1142 2.893,1143 15.326,1144 19.756,1145 8.374,1146 31.594,1147 15.048,1148 1.87,1149 6.09,1150 27.114,1151 2.829,1152 16.49,1153 21.281,1154 9.051,1155 34.026,1156 16.195,1157 1.611,1158 3.81,1159 29.003,1160 2.54,1161 17.632,1162 22.784,1163 9.674,1164 36.445,1165 17.319,1166 21313,1167 30743,1168 25.712,1169 49.234,1170 52.49,1171 56.802,1172 53.37,1173 52.659,1174 52.676,1175 62.241,1176 4.912,1177 137.815,1178 51.1,1179 5.634,1180 6.08,1181 6.739,1182 5.247,1183 5.226,1184 7.564,1185 3.306,1186 18.879,1187 5.162,1188 8.122,1189 1.419,1190 1.535,1191 1.442,1192 1.423,1193 1.424,1194 1.682,1195 0.133,1196 3.725,1197 1.381,1198 4.114,1199 4.146,1200 4.233,1201 4.042,1202 7.429,1203 4.046,1204 3.84,1205 3.894,1206 4.072,1207 3.796,1208 4.972,1209 3.717,1210 3.76,1211 3.818,1212 3.676,1213 3.658,1214 4.413,1215 3.639,1216 3.732,1217 3.781,1218 3.617,1219 3.643,1220 4.283,1221 3.623,1222 3.655,1223 3.708,1224 3.557,1225 3.529,1226 4.224,1227 3.501,1228 3.526,1229 3.596,1230 3.39,1231 3.38,1232 4.173,1233 3.359,1234 3.353,1235 3.428,1236 3.258,1237 3.186,1238 3.997,1239 3.176,1240 3.247,1241 3.308,1242 3.121,1243 3.108,1244 3.961,1245 3.09,1246 0.125,1247 0.11,1248 0.185,1249 0.114,1250 0.087,1251 4.64,1252 0.123,1253 4.08,1254 0.052,1255 6.829,1256 0.307,1257 4.207,1258 0.085,1259 3.226,1260 4.564,1261 1.907,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.437,1269 2.163,1270 1.796,1271 1.737,1272 2.035,1273 1.97,1274 1.389,1275 1.993,1276 1.759,1277 1.709,1278 1.993,1279 1.913,1280 1.377,1281 1.947,1282 1.753,1283 1.701,1284 1.949,1285 1.872,1286 1.174,1287 1.902,1288 1.595,1289 1.533,1290 1.843,1291 1.798,1292 1.139,1293 1.819,1294 1.509,1295 1.443,1296 1.767,1297 1.69,1298 1.115,1299 1.724,1300 1.332,1301 1.27,1302 1.592,1303 1.554,1304 0.857,1305 1.579,1306 1.26,1307 1.21,1308 1.505,1309 1.437,1310 0.803,1311 1.474,1312 4.317,1314 5.572,1315 2.398,1316 7.02,1317 4.443,1318 8.578,1319 6.26,1320 10.207,1328 19.48,1329 6.889,1331 4.045,1332 0.831,1340 44.162,1341 106.141,1342 220.828,1343 314.789,1344 393.652,1345 423.161,1346 429.161,1347 62.996,1348 7.823,1349 54.02,1350 104.62,1351 23,1352 12.496,1353 3.7,1354 2.907,1355 57.776,1356 218,1357 200,1358 0.123,1359 278.859,1360 484.69,1361 672.176,1362 36294,1364 23.426,1365 0.689,1366 0.653,1367 24.133,1368 22.213,1369 16.81,1370 0.454,1371 0.429,1372 13.59,1373 15.623,1374 13.173,1375 10.903,1376 17.889,1377 15.886,1378 13.909,1379 0.296,1380 0.267,1381 15.177,1382 12.543,1383 11.41,1384 0.19,1385 0.168,1386 12.794,1387 10.061,1388 9.446,1389 0.123,1390 0.106,1391 10.853,1392 8.134,1393 7.34,1394 0.079,1395 0.053,1396 7.952,1397 4.914,1398 0.209,1399 112.293,1400 0.197,1401 33.187,1402 0.299,1403 168,1404 359.767,1405 216.934,1406 394.654,1407 544.19,1408 374,1409 191,1410 365.408,1411 238.594,1412 399.369,1413 579.13,1414 381,1415 7.485}
{0 CHEMBL195179,1 1.481,2 13.933,3 5.063,4 25.638,5 131.134,6 7.043,7 0.333,8 4.204,9 4.333,10 3.863,11 3.839,12 5.087,13 3.728,14 4.805,15 4.997,16 4.11,17 4.251,18 5.629,19 4.102,20 5.116,21 5.376,22 4.054,23 4.339,24 5.874,25 4.161,26 5.053,27 5.309,28 3.989,29 4.265,30 5.858,31 4.104,32 5.035,33 5.286,34 3.922,35 4.266,36 5.81,37 4.09,38 5.061,39 5.321,40 3.829,41 4.255,42 5.81,43 4.047,44 5.057,45 5.351,46 3.779,47 4.141,48 5.758,49 3.921,50 4.915,51 5.223,52 3.7,53 3.937,54 5.672,55 3.741,56 0.073,57 0.926,58 18.769,59 7.257,60 7.044,61 9.103,62 0.208,63 1.571,64 31.877,65 12.488,66 19.077,67 16.404,68 0.325,69 1.975,70 47.159,71 16.3,72 32.737,73 21.277,74 0.393,75 1.855,76 40.745,77 14.039,78 36.964,79 19.102,80 0.318,81 1.799,82 39.778,83 14.246,84 32.402,85 19.286,86 0.334,87 1.793,88 40.901,89 15.301,90 36.577,91 20.538,92 0.305,93 1.728,94 41.623,95 14.678,96 31.487,97 20.08,98 0.348,99 1.49,100 36.648,101 11.887,102 33.376,103 16.39,104 2,105 43,106 0.24,107 0.513,108 0.717,109 0.861,110 0.9,111 0.9,112 3.439,113 1.262,114 -4.7,115 -4.61,116 -4.34,121 38.1,123 10,127 3,129 1,144 4,145 2,146 1,148 2,160 1,176 11,180 5,183 1,185 5,187 12,192 5,197 3,200 8,206 4,209 1,210 1,211 5,214 10,219 1,224 3,227 12,232 1,235 1,237 3,239 11,244 1,249 4,251 5,256 2,259 1,261 5,264 2,269 2,274 3,277 5,281 1610,282 20.949,283 20.949,284 20.949,285 20.949,286 20.949,287 19.507,288 20.412,289 13.034,290 21.357,291 16.369,292 16.369,293 16.369,294 16.369,295 16.369,296 14.043,297 21.069,298 6.252,299 16.968,300 4.496,301 2.806,302 1.549,303 0.659,304 0.413,305 0.413,306 4.143,312 1,313 921,314 3.873,317 96.848,318 218.742,322 251.371,325 2.151,326 19.14,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 62.5,338 418,339 4.64,340 4.08,341 6.829,342 4.207,343 3.226,344 4.564,345 1.907,346 11.348,347 3.162,348 3.914,349 3.574,350 5.982,351 3.524,352 2.545,353 3.437,354 0.4,355 8.37,356 2.512,357 3.661,358 3.361,359 5.381,360 3.468,361 2.532,362 2.893,363 0.149,364 6.998,365 2.397,366 3.538,367 3.354,368 5.353,369 3.377,370 2.376,371 2.829,373 6.711,374 2.296,375 3.521,376 2.669,377 5.034,378 3.132,379 2.178,380 2.54,382 6.09,383 2.075,384 2.939,385 2.356,386 4.116,387 2.647,388 1.674,389 2.142,391 3.573,392 1.625,393 2.722,394 1.861,395 3.962,396 2.516,397 1.536,398 1.742,400 3.329,401 1.506,402 2.588,403 1.664,404 3.724,405 2.474,406 1.493,407 1.603,409 3.269,410 1.454,411 2.541,412 1.6,413 3.638,414 2.345,415 1.347,416 1.535,418 3.113,419 1.343,420 2.485,421 1.451,422 3.594,423 2.242,424 1.247,425 1.484,427 2.902,428 1.24,429 2.161,430 1.35,431 3.487,432 2.058,433 1.145,434 1.157,436 2.508,437 1.031,438 2.081,439 1.318,440 3.278,441 1.933,442 0.978,443 1.043,445 2.213,446 0.921,447 1.752,448 1.091,449 3,450 1.582,451 0.618,452 0.654,454 1.372,455 0.588,456 1.618,457 0.827,458 2.98,459 1.547,460 0.586,461 0.618,463 1.324,464 0.56,465 1.382,466 0.716,467 2.829,468 1.247,469 0.282,470 0.299,472 0.623,473 0.268,474 15.2,475 0.507,476 0.448,477 0.015,478 30.25,479 1.008,480 12,481 0.4,482 18.25,483 0.608,484 34.596,485 1.153,486 33.4,487 0.53,488 16.641,489 0.555,490 4.084,491 0.136,492 10.725,493 0.358,494 0.022,496 0.23,501 0.758,502 1.162,503 0.708,504 0.895,505 0.548,506 1.001,507 0.726,508 1.207,509 0.994,510 1.09,511 0.546,512 1.112,513 1.105,514 1.062,515 1.06,516 1.022,517 0.985,518 0.96,519 1.333,520 0.942,521 0.925,522 0.876,523 1.265,524 0.965,525 1.315,526 0.997,527 0.97,528 0.944,529 1.278,530 1.048,531 1.008,532 1.056,533 0.956,534 1.018,535 1.152,536 1.128,537 0.835,538 1.035,539 0.755,540 0.923,541 0.938,542 0.988,543 1.102,544 0.882,545 0.663,546 0.76,547 1.196,548 0.809,549 3.5,550 0.111,551 2.444,552 1.535,553 1.325,554 0.462,555 0.356,556 0.183,557 0.185,558 0.18,559 14736,560 32224,561 2.148,562 52.4,563 10,564 11,567 2,568 4,569 2,570 4,572 1.721,573 2.093,574 3.673,575 0.177,582 93.31,583 1.481,584 3.171,585 4.429,586 5.318,587 5.565,588 5.565,589 3.015,590 4.24,591 4.878,592 3.959,593 1722.2,594 8.466,595 26371.6,597 1,600 376.569,601 0.982,602 4.873,603 0.106,604 0.005,605 0.057,606 0.037,607 0.034,608 0.013,609 0.011,610 0.007,611 0.007,612 0.008,613 0.284,614 0.17,615 1,616 0.327,617 159.487,618 0.008,619 0.016,620 0.199,621 0.133,622 0.036,623 0.061,624 0.079,625 -0.114,626 -0.038,627 -0.075,628 0.082,629 -0.085,630 -0.061,631 -0.057,632 -0.067,633 -0.044,634 -0.024,635 0.015,636 -0.083,637 0.072,638 -0.076,639 -0.009,640 -0.084,641 -0.026,642 -0.178,644 -0.128,645 -0.059,646 -0.133,647 -0.091,648 -0.032,649 -0.107,650 -0.126,651 -0.124,652 -0.072,653 -0.158,654 0.08,655 -0.135,656 0.053,657 -0.063,658 0.015,659 -0.038,660 0.128,661 0.026,662 0.156,663 0.064,664 0.06,665 0.105,666 1.463,667 5.09,668 0.633,669 33.756,670 0.985,671 1.123,672 3.466,673 12.012,674 0.67,675 3.526,676 3.784,677 4.043,678 4.304,679 4.5,680 4.554,681 4.673,682 4.762,683 4.82,684 4.691,685 8.468,686 0.604,687 443.74,688 3.526,689 5.03,690 5.861,691 6.713,692 7.566,693 8.431,694 9.297,695 10.172,696 11.046,697 11.928,698 4.8,703 1,705 1,708 1,714 2,715 4,716 1,720 3,722 11,734 1,741 63,743 12,744 1,745 33,747 66,748 24,749 9,750 2,751 4,756 4,757 7,767 6,770 11,772 10,773 14,777 1,782 1,786 1,793 33,794 4,795 2,796 6,797 2,802 3,808 0.5,809 1,822 1,828 1,829 3,833 2,843 1,859 2,861 1,862 2,868 30,876 13,877 2,879 2,880 1,893 1.6,896 1,901 14.333,902 10.867,903 6.778,904 4.392,907 2.426,908 1.317,909 0.981,910 8.505,911 10.087,912 3.701,913 4.197,914 4.741,915 5.319,916 5.89,917 6.209,918 6.582,919 6.922,920 7.219,921 7.043,922 0.889,923 42,924 11.212,926 4.7,927 0.026,929 7.417,931 22.654,933 19.295,936 1.917,937 57.5,941 364.904,942 146.846,943 52.807,945 25.145,947 60.363,948 86.482,949 390.049,950 52.807,952 48.467,953 37.905,954 64.646,955 13.416,957 425.268,959 364.904,960 139.289,961 25.145,962 60.363,964 294.278,965 95.772,968 53.368,969 51.125,970 34.796,971 60.363,972 364.904,973 77.952,974 146.846,977 364.904,978 108.941,979 37.905,980 36.022,981 41.93,982 364.904,983 77.952,984 146.846,986 0.558,987 0.322,988 0.181,989 0.095,990 19,991 7,992 0.152,993 10,994 2,995 1.211,996 4.449,997 249.012,998 0.211,999 19,1000 147.207,1001 2,1005 22.141,1006 11.525,1007 6.235,1008 2.31,1009 77.952,1010 8.439,1011 4.905,1015 3.942,1017 36.022,1018 589.702,1019 39.5,1024 12.09,1028 0.204,1031 62.04,1032 70.772,1034 0.248,1035 0.531,1036 0.741,1037 0.89,1038 0.931,1039 0.931,1040 4.918,1041 1.493,1042 5.79,1043 3.329,1044 4.466,1045 4.883,1046 1.997,1047 6.544,1048 4.402,1049 6.05,1050 1.347,1051 7.299,1052 3.269,1053 3.761,1054 4.605,1055 1.593,1056 7.357,1057 3.686,1058 7.321,1059 1.247,1060 8.919,1061 3.113,1062 5.979,1063 7.016,1064 2.907,1065 10.513,1066 5.862,1067 8.636,1068 1.145,1069 10.613,1070 2.902,1071 6.217,1072 7.712,1073 3.032,1074 12.286,1075 6.084,1076 9.997,1077 0.978,1078 12.359,1079 2.508,1080 7.797,1081 9.573,1082 4.038,1083 14.941,1084 7.638,1085 11.39,1086 0.618,1087 14.141,1088 2.213,1089 8.506,1090 10.717,1091 4.409,1092 17.099,1093 8.331,1094 12.808,1095 0.586,1096 15.951,1097 1.372,1098 9.82,1099 12.37,1100 5.25,1101 19.602,1102 9.626,1103 3.226,1104 0.282,1105 17.78,1106 1.324,1107 10.766,1108 13.721,1109 5.75,1110 21.917,1111 10.556,1112 2.545,1113 11.348,1114 19.626,1115 0.623,1116 11.975,1117 15.291,1118 6.501,1119 24.37,1120 11.748,1121 2.532,1122 8.37,1123 21.484,1124 4.564,1125 13.036,1126 16.734,1127 7.068,1128 26.75,1129 12.793,1130 2.376,1131 6.998,1132 23.353,1133 3.437,1134 14.209,1135 18.272,1136 7.771,1137 29.187,1138 13.949,1139 2.178,1140 6.711,1141 25.229,1142 2.893,1143 15.326,1144 19.756,1145 8.374,1146 31.594,1147 15.048,1148 1.674,1149 6.09,1150 27.113,1151 2.829,1152 16.489,1153 21.281,1154 9.051,1155 34.026,1156 16.194,1157 1.536,1158 3.573,1159 29.003,1160 2.54,1161 17.632,1162 22.784,1163 9.674,1164 36.445,1165 17.319,1166 13737,1167 20435,1168 22.94,1169 42.188,1170 47.417,1171 51.688,1172 48.194,1173 47.552,1174 47.578,1175 57.141,1176 4.912,1177 127.614,1178 46.002,1179 5.63,1180 6.08,1181 6.6,1182 5.252,1183 5.226,1184 7.564,1185 3.306,1186 18.879,1187 5.162,1188 7.24,1189 1.437,1190 1.566,1191 1.46,1192 1.441,1193 1.442,1194 1.732,1195 0.149,1196 3.867,1197 1.394,1198 4.113,1199 4.144,1200 4.233,1201 4.041,1202 7.429,1203 4.045,1204 3.826,1205 3.875,1206 4.071,1207 3.795,1208 4.972,1209 3.711,1210 3.732,1211 3.781,1212 3.654,1213 3.651,1214 4.414,1215 3.636,1216 3.701,1217 3.759,1218 3.616,1219 3.563,1220 4.282,1221 3.542,1222 3.565,1223 3.625,1224 3.447,1225 3.436,1226 4.214,1227 3.408,1228 3.346,1229 3.417,1230 3.268,1231 3.179,1232 4.068,1233 3.172,1234 3.227,1235 3.285,1236 3.113,1237 3.089,1238 3.972,1239 3.071,1240 3.134,1241 3.213,1242 3.008,1243 2.968,1244 3.906,1245 2.963,1246 0.141,1247 0.124,1248 0.207,1249 0.127,1250 0.098,1251 4.64,1252 0.138,1253 4.08,1254 0.058,1255 6.829,1256 0.344,1257 4.207,1258 0.096,1259 3.226,1260 4.564,1261 1.907,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.158,1267 2.163,1268 1.435,1269 2.163,1270 1.776,1271 1.723,1272 2,1273 1.949,1274 1.38,1275 1.967,1276 1.754,1277 1.709,1278 1.95,1279 1.873,1280 1.217,1281 1.902,1282 1.654,1283 1.587,1284 1.898,1285 1.849,1286 1.141,1287 1.874,1288 1.521,1289 1.461,1290 1.769,1291 1.702,1292 1.122,1293 1.732,1294 1.317,1295 1.261,1296 1.551,1297 1.537,1298 0.845,1299 1.556,1300 1.245,1301 1.197,1302 1.48,1303 1.408,1304 0.758,1305 1.444,1306 1.135,1307 1.061,1308 1.435,1309 1.348,1310 0.646,1311 1.381,1312 4.205,1314 5.476,1315 2.398,1316 6.946,1317 4.443,1318 8.523,1319 6.26,1320 10.17,1328 13.989,1329 6.774,1331 4.029,1332 0.819,1340 38.055,1341 93.31,1342 199.78,1343 279.001,1344 335.059,1345 350.569,1346 350.569,1347 50.583,1348 7.661,1349 54.02,1350 104.62,1351 23,1352 12.465,1353 3.7,1354 2.907,1355 47.563,1356 154,1357 150,1358 0.145,1359 240.49,1360 415.49,1361 578.555,1362 27106,1364 20.598,1365 0.687,1366 0.646,1367 21.305,1368 19.384,1369 14.81,1370 0.449,1371 0.421,1372 11.59,1373 13.623,1374 11.212,1375 9.236,1376 15.889,1377 13.886,1378 12.494,1379 0.291,1380 0.259,1381 13.763,1382 11.129,1383 10.41,1384 0.186,1385 0.162,1386 11.794,1387 9.061,1388 8.739,1389 0.12,1390 0.102,1391 10.146,1392 7.442,1393 6.84,1394 0.077,1395 0.05,1396 7.452,1397 4.451,1398 0.24,1399 100.293,1400 0.209,1401 29.393,1402 0.367,1403 152,1404 343.767,1405 200.934,1406 378.007,1407 521.15,1408 358,1409 175,1410 349.408,1411 222.594,1412 382.723,1413 556.09,1414 365,1415 8.157}
{0 CHEMBL1952048,1 1.47,2 6.333,3 1.578,4 2.49,5 49.761,6 5.906,8 3.395,9 3.558,10 2.709,11 2.728,12 4.518,13 2.674,14 3.893,15 4.175,16 2.81,17 2.985,18 4.746,19 2.881,20 4.013,21 4.288,22 2.853,23 3.092,24 4.904,25 2.954,26 4.102,27 4.41,28 2.813,29 3.054,30 5.017,31 2.905,32 3.993,33 4.292,34 2.651,35 2.94,36 4.91,37 2.808,38 3.958,39 4.235,40 2.366,41 2.851,42 4.894,43 2.675,44 3.852,45 4.196,46 2.032,47 2.675,48 4.57,49 2.427,50 3.567,51 3.918,52 1.402,53 2.295,54 4.337,55 1.987,56 0.084,57 0.36,58 7.315,59 2.19,60 12.943,61 3.605,62 0.157,63 0.461,64 11.45,65 2.927,66 13.339,67 5.106,68 0.159,69 0.499,70 12.743,71 3.637,72 17.457,73 6.029,74 0.263,75 0.477,76 13.893,77 3.283,78 26.894,79 5.934,80 0.181,81 0.412,82 12.561,83 2.846,84 20.987,85 5.154,86 0.221,87 0.351,88 11.992,89 2.997,90 29.459,91 4.996,92 0.145,93 0.284,94 10.111,95 2.642,96 17.622,97 4.519,98 0.113,99 0.173,100 7.456,101 1.887,102 17.607,103 3.241,104 34,105 12,106 0.3,107 0.55,108 0.763,109 0.791,110 0.791,111 0.791,112 2.59,113 1.121,114 -2.35,115 -2.38,116 -2.34,121 27.6,122 1,123 2,126 2,127 1,156 1,160 1,172 1,176 2,179 1,180 1,187 1,191 2,192 1,206 2,209 2,219 2,232 2,237 1,244 1,249 1,261 1,281 152,282 7.897,283 7.897,284 7.897,285 7.897,286 7.897,287 7.292,288 9.044,289 5.238,290 8.136,291 5.349,292 5.349,293 5.349,294 5.349,295 5.349,296 4.614,297 8.905,298 2.337,299 5.677,300 3.388,301 2.159,302 1.113,303 0.975,304 0.975,305 0.975,306 3.157,311 1,312 1,313 133,314 3.464,325 1,326 7.312,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 26.5,338 76,339 4.021,340 3.639,341 5.909,342 3.639,343 2.718,344 3.315,345 1.697,346 8.127,347 2.502,348 2.847,349 3.111,350 3.908,351 2.658,352 1.689,353 1.787,354 1.032,355 3.421,356 1.636,357 2.732,358 1.942,359 3.552,360 2.351,361 1.414,362 1.724,363 0.521,364 2.819,365 1.321,366 2.306,367 1.511,368 3,369 1.946,370 1,371 1.191,373 1.701,374 0.943,375 1.503,376 1.02,377 2.296,378 1.415,379 0.448,380 0.464,382 0.688,383 0.432,384 0.786,385 0.454,386 1.675,387 0.634,388 -0.342,389 -0.364,391 -0.517,392 -0.334,393 0.327,394 -0.384,395 1.57,396 0.099,397 -0.848,398 -0.965,400 -1.383,401 -0.801,403 -0.6,404 1,405 -0.1,406 -1,407 -1,408 -0.232,409 -2,410 -0.9,411 -0.155,412 -1.041,413 0.762,414 -0.45,415 -1.414,416 -1.508,417 -0.4,418 -2.808,419 -1.35,420 -0.634,421 -1.403,422 0.238,423 -0.835,424 -1.773,425 -2.106,426 -0.921,427 -4.583,428 -1.663,429 -0.732,430 -1.649,431 0.089,432 -0.956,433 -1.892,434 -2.537,435 -1.697,436 -5.466,437 -1.786,474 5.533,475 0.461,476 0.195,477 0.016,478 10.25,479 0.854,480 3,481 0.25,482 7.25,483 0.604,484 9.106,485 0.759,486 15.467,487 0.533,488 6.387,489 0.532,490 2.287,491 0.191,492 3.431,493 0.286,494 0.331,496 0.163,501 0.8,502 2.026,503 1.089,504 1.664,505 0.845,506 1.459,507 0.89,508 1.035,509 0.992,510 0.944,511 0.48,512 0.954,513 0.667,514 1.238,515 0.972,516 1.245,517 0.65,518 1.168,519 0.703,520 1.04,521 0.933,522 0.957,523 0.615,524 0.962,525 1.25,526 0.934,527 1.159,528 0.98,529 1.009,530 1.016,531 1.83,532 0.979,533 1.311,534 1.061,535 2.222,536 1.138,537 0.872,538 0.795,539 0.909,540 0.899,541 0.889,542 0.913,543 0.957,544 0.818,545 0.985,546 1.01,547 1.163,548 1.017,549 2,551 1.111,552 0.625,553 0.4,554 0.167,555 0.122,556 0.031,559 675,560 1767,561 1.698,562 58.6,563 5,564 8,566 1,567 1,569 2,572 1.456,573 1.565,574 2.716,575 -0.083,579 1,582 42.64,583 1.47,584 2.699,585 3.745,586 3.883,587 3.883,588 3.883,589 2.189,590 3.022,591 3.549,592 2.799,593 184.744,594 5.836,595 1353.84,597 1,600 140.881,601 1.459,602 3.482,603 0.182,605 0.093,606 0.052,607 0.036,608 0.019,609 0.02,610 0.008,613 0.41,614 0.67,615 1,616 2.189,617 43.555,618 0.17,619 -0.485,621 -0.243,622 0.097,623 -0.171,624 -0.061,625 0.125,626 0.013,627 0.086,628 0.052,629 0.07,630 0.087,631 -0.098,632 -0.007,633 -0.138,634 0.025,635 -0.1,636 0.156,637 -0.042,638 0.036,639 -0.022,640 0.102,641 -0.01,642 -0.201,643 0.089,644 -0.15,645 -0.064,646 -0.07,647 -0.077,648 -0.325,649 -0.082,650 -0.291,651 -0.096,652 -0.367,653 -0.19,654 -0.051,655 -0.011,656 -0.02,657 -0.017,658 -0.029,659 -0.012,660 -0.056,661 -0.12,662 -0.11,663 -0.17,664 -0.081,665 -0.151,666 0.967,667 2.304,669 7.333,670 0.994,671 1.159,672 1.121,673 1.257,674 0.579,675 2.485,676 2.565,677 2.565,678 2.485,679 2.303,680 1.946,681 1.609,682 0.693,685 3.977,686 0.533,687 171.28,688 2.485,689 3.85,690 4.554,691 5.303,692 6.043,693 6.801,694 7.553,695 8.315,696 9.072,697 9.834,698 10.3,701 1,707 2,741 29,743 2,745 11,747 28,748 8,752 2,763 1,770 2,772 2,773 6,777 2,784 1,785 2,786 1,793 17,794 4,795 1,796 4,802 3,804 1,809 1,840 1,855 1,857 1,864 3,868 12,875 1,876 3,881 1,893 3.4,898 1,901 7.667,902 5.883,903 3.111,904 1.79,907 0.6,908 1.137,909 0.812,910 6.53,911 4.97,912 2.639,913 2.89,914 3.135,915 3.258,916 3.135,917 2.833,918 2.565,919 1.609,922 1,923 12,924 4.364,925 0.006,926 1.503,927 -0.015,929 7.847,931 8.323,932 0.002,933 5.569,934 -0.008,936 2.347,937 28.167,938 0.01,941 188.338,942 44.168,943 33.157,945 42.806,948 44.168,949 231.143,950 33.157,951 25.618,952 7.175,954 23.146,955 75.963,957 176.567,959 188.338,960 77.325,961 42.806,964 164.795,965 66.348,968 49.157,969 19.121,970 9.047,972 188.338,973 75.963,974 44.168,977 188.338,978 9.503,979 37.79,981 72.839,982 188.338,983 75.963,984 44.168,986 0.514,987 0.279,988 0.136,989 0.067,990 2,991 2,992 0.179,993 5,996 2.337,997 52.889,1000 41.02,1005 11.273,1006 6.951,1007 5.598,1009 75.963,1017 42.806,1018 308.469,1019 13,1026 1.343,1027 7.175,1028 0.7,1031 28.818,1032 33.611,1034 0.303,1035 0.556,1036 0.771,1037 0.799,1038 0.799,1039 0.799,1040 3.738,1041 -1,1042 4.443,1043 -1.383,1044 3.219,1045 3.555,1046 2.215,1047 5.043,1048 3.096,1049 4.828,1050 -1.414,1051 5.889,1052 -2,1053 2.565,1054 2.944,1055 0.325,1056 5.746,1057 2.326,1058 6.035,1059 -1.773,1060 7.46,1061 -2.808,1062 4.575,1063 5.352,1064 2.973,1065 8.697,1066 4.297,1067 7.289,1068 -1.892,1069 9.107,1070 -4.583,1071 4.796,1072 5.638,1073 0.43,1074 10.275,1075 4.373,1076 8.582,1078 10.801,1079 -5.466,1080 6.26,1081 7.471,1082 3.924,1083 12.697,1084 5.805,1085 9.904,1087 12.526,1089 6.903,1090 8.196,1091 0.529,1092 14.585,1093 6.314,1094 11.246,1096 14.269,1098 8.115,1099 9.735,1100 4.945,1101 16.813,1102 7.48,1103 2.718,1105 16.025,1107 8.954,1108 10.679,1109 0.62,1110 18.822,1111 8.201,1112 1.689,1113 8.127,1114 17.788,1116 10.051,1117 12.065,1118 5.989,1119 20.974,1120 9.239,1121 1.414,1122 3.421,1123 19.557,1124 3.315,1125 10.978,1126 13.123,1127 0.701,1128 23.032,1129 10.062,1130 1,1131 2.819,1132 21.328,1133 1.787,1134 12.023,1135 14.426,1136 7.042,1137 25.152,1138 11.038,1139 0.448,1140 1.701,1141 23.101,1142 1.724,1143 12.99,1144 15.546,1145 0.775,1146 27.231,1147 11.909,1148 -0.342,1149 0.688,1150 24.875,1151 1.191,1152 14.011,1153 16.803,1154 8.099,1155 29.337,1156 12.855,1157 -0.848,1158 -0.517,1159 26.651,1160 0.464,1161 14.995,1162 17.957,1163 0.843,1164 31.425,1165 13.751,1166 843,1167 1444,1168 6.356,1169 16.801,1170 15,1171 16.447,1172 15.514,1173 14.563,1174 14.538,1175 16.962,1176 6.501,1177 33.512,1178 13.668,1179 4.753,1180 5.287,1181 5.82,1182 4.596,1183 4.61,1184 5.852,1185 3.394,1186 13.592,1187 4.288,1188 7.624,1189 1.364,1190 1.495,1191 1.41,1192 1.324,1193 1.322,1194 1.542,1195 0.591,1196 3.047,1197 1.243,1198 3.783,1199 3.856,1200 3.692,1201 3.593,1202 6.546,1203 3.6,1204 3.584,1205 3.665,1206 3.411,1207 3.394,1208 4.692,1209 3.395,1210 3.289,1211 3.379,1212 3.13,1213 3.025,1214 4.158,1215 3.026,1216 3.138,1217 3.232,1218 2.93,1219 2.878,1220 4.044,1221 2.875,1222 2.874,1223 3.009,1224 2.499,1225 2.618,1226 3.874,1227 2.57,1228 2.662,1229 2.763,1230 2.439,1231 2.302,1232 3.467,1233 2.321,1234 2.353,1235 2.465,1236 2.003,1237 1.951,1238 3.289,1239 1.954,1240 2.033,1241 2.187,1242 1.676,1243 1.592,1244 2.617,1245 1.582,1246 0.366,1247 0.331,1248 0.537,1249 0.331,1250 0.247,1251 4.021,1252 0.301,1253 3.639,1254 0.154,1255 5.909,1256 0.739,1257 3.639,1258 0.227,1259 2.718,1260 3.315,1261 1.697,1262 8.127,1263 2.502,1264 1.726,1265 1.657,1266 1.974,1267 1.937,1268 1.248,1269 1.944,1270 1.563,1271 1.485,1272 1.81,1273 1.799,1274 0.878,1275 1.817,1276 1.246,1277 1.151,1278 1.577,1279 1.536,1280 0.719,1281 1.544,1282 1.097,1283 1.008,1284 1.417,1285 1.407,1286 0.469,1287 1.409,1288 0.934,1289 0.804,1290 1.377,1291 1.239,1292 0.344,1293 1.308,1294 0.589,1295 0.473,1296 1.042,1297 0.977,1298 0.171,1299 0.992,1300 0.272,1301 0.171,1302 0.714,1303 0.74,1305 0.751,1306 0.038,1308 0.645,1309 0.482,1311 0.557,1312 3.135,1314 4.263,1316 5.572,1318 6.976,1320 8.432,1322 5.851,1327 8.304,1328 2.979,1333 1.815,1340 15.467,1341 42.64,1342 78.278,1343 108.617,1344 112.617,1345 112.617,1346 112.617,1347 22.993,1348 4.369,1349 48.19,1350 48.19,1352 10.464,1353 1.585,1354 1.585,1355 36.889,1356 26,1357 30,1358 0.701,1359 106.033,1360 183.47,1361 250.482,1362 232,1364 9.397,1365 0.783,1366 0.666,1367 9.397,1368 7.988,1369 5.719,1370 0.52,1371 0.374,1372 4.028,1373 5.364,1374 3.807,1375 3.342,1376 5.719,1377 4.112,1378 4.289,1379 0.357,1380 0.228,1381 4.289,1382 2.732,1383 2.781,1384 0.232,1385 0.118,1386 2.781,1387 1.417,1388 1.838,1389 0.167,1390 0.064,1391 1.838,1392 0.701,1393 1.145,1394 0.127,1395 0.04,1396 1.145,1397 0.359,1398 1.063,1399 36.821,1400 0.397,1401 12.601,1402 1.974,1403 46,1404 159.085,1405 52.019,1406 153.057,1407 194.19,1408 140,1409 47,1410 133.097,1411 53.325,1412 135.446,1413 181.23,1414 122,1415 4.268}
{0 CHEMBL1952049,1 1.438,2 7.154,3 2.034,4 4.138,5 54.362,6 5.791,8 3.487,9 3.651,10 2.784,11 2.837,12 4.574,13 2.774,14 4.002,15 4.281,16 2.887,17 3.112,18 4.823,19 2.994,20 4.153,21 4.436,22 2.929,23 3.224,24 4.991,25 3.068,26 4.231,27 4.543,28 2.892,29 3.191,30 5.091,31 3.025,32 4.136,33 4.439,34 2.752,35 3.082,36 5.013,37 2.93,38 4.111,39 4.41,40 2.477,41 2.971,42 4.998,43 2.789,44 3.913,45 4.242,46 2.289,47 2.813,48 4.62,49 2.596,50 3.732,51 4.055,52 2.027,53 2.613,54 4.505,55 2.39,56 0.092,57 0.402,58 8.097,59 2.533,60 13.106,61 4.088,62 0.161,63 0.526,64 12.697,65 3.478,66 13.267,67 5.901,68 0.173,69 0.574,70 14.455,71 4.311,72 18.241,73 7.03,74 0.273,75 0.554,76 15.544,77 3.957,78 26.786,79 6.929,80 0.182,81 0.486,82 14.245,83 3.436,84 21.531,85 6.108,86 0.252,87 0.411,88 13.715,89 3.361,90 30.909,91 5.689,92 0.133,93 0.348,94 10.71,95 3.003,96 15.089,97 5.01,98 0.124,99 0.278,100 8.997,101 2.411,102 14.629,103 4.063,104 37,105 13,106 0.285,107 0.519,108 0.745,109 0.804,110 0.804,111 0.804,112 2.66,113 1.153,114 -2.67,115 -2.69,116 -2.61,121 28.1,122 1,123 3,126 2,127 1,156 1,160 1,172 1,176 3,179 1,180 1,187 2,191 2,192 1,200 1,206 2,209 2,219 3,232 2,237 1,244 2,249 1,256 1,261 1,274 1,281 184,282 8.604,283 8.604,284 8.604,285 8.604,286 8.604,287 7.999,288 9.044,289 5.738,290 8.843,291 5.849,292 5.849,293 5.849,294 5.849,295 5.849,296 5.114,297 8.905,298 2.587,299 6.177,300 3.562,301 2.383,302 1.243,303 0.946,304 0.946,305 0.946,306 3.239,311 1,312 1,313 165,314 3.606,325 1.089,326 7.585,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 28.5,338 93,339 4.021,340 3.639,341 5.909,342 3.64,343 2.718,344 3.315,345 1.697,346 8.127,347 2.502,348 2.851,349 3.111,350 3.923,351 2.75,352 1.768,353 1.802,354 1.032,355 3.546,356 1.736,357 2.786,358 1.959,359 3.647,360 2.371,361 1.439,362 1.773,363 0.521,364 2.974,365 1.337,366 2.433,367 1.611,368 3.176,369 2.13,370 1.174,371 1.352,373 2.081,374 1.119,375 1.833,376 1.174,377 2.585,378 1.645,379 0.681,380 0.752,382 1.112,383 0.655,384 1.065,385 0.686,386 2,387 1.029,388 0.057,389 0.058,391 0.088,392 0.056,393 0.61,394 0.063,395 1.571,396 0.374,397 -0.601,398 -0.68,400 -0.947,401 -0.584,402 0.14,403 -0.6,404 1.335,405 -0.048,406 -1,407 -1,409 -1.759,410 -0.9,412 -0.7,413 1,414 -0.1,415 -1,416 -1.077,417 -0.232,418 -2,419 -0.952,420 -0.302,421 -1.193,422 0.555,423 -0.581,424 -1.547,425 -1.649,426 -0.4,427 -3.167,428 -1.47,429 -0.639,430 -1.404,431 0.235,432 -0.835,433 -1.774,434 -2.108,435 -0.921,436 -4.589,437 -1.671,438 -0.799,439 -1.746,440 0.063,441 -0.972,442 -1.915,443 -2.537,444 -1.697,445 -5.466,446 -1.828,474 6.033,475 0.464,476 0.195,477 0.015,478 10.75,479 0.827,480 3,481 0.231,482 7.75,483 0.596,484 10.571,485 0.813,486 16.767,487 0.524,488 6.588,489 0.507,490 2.287,491 0.176,492 3.931,493 0.302,494 0.304,496 0.149,501 0.797,502 1.972,503 1.116,504 1.646,505 0.837,506 1.463,507 0.873,508 1.077,509 1.028,510 1.015,511 0.473,512 1.019,513 0.635,514 1.198,515 0.961,516 1.213,517 0.615,518 1.146,519 0.675,520 1.028,521 0.928,522 0.967,523 0.6,524 0.969,525 1.153,526 1.028,527 1.112,528 1.039,529 0.934,530 1.041,531 1.833,532 0.82,533 1.229,534 0.868,535 2.154,536 0.974,537 0.871,538 0.905,539 0.895,540 0.945,541 0.912,542 0.931,543 1.081,544 0.914,545 1.06,546 1.015,547 1.104,548 1.036,549 2,551 1.111,552 0.625,553 0.4,554 0.167,555 0.122,556 0.094,557 0.025,559 900,560 2182,561 1.72,562 59.4,563 7,564 8,566 1,567 1,569 2,572 1.48,573 1.592,574 2.866,575 -0.127,579 1,582 46.005,583 1.438,584 2.617,585 3.757,586 4.054,587 4.054,588 4.054,589 2.258,590 3.239,591 3.665,592 2.97,593 231.63,594 6.059,595 1817.73,597 1,600 160,601 1.42,602 3.605,603 0.167,605 0.085,606 0.048,607 0.033,608 0.017,609 0.017,610 0.016,611 0.006,613 0.39,614 0.67,615 1,616 2.258,617 49.493,618 0.178,619 -0.429,621 -0.215,622 0.113,623 -0.155,624 -0.051,625 0.102,626 -0.013,627 0.045,628 0.055,629 0.028,630 0.098,631 -0.084,632 0.004,633 -0.117,634 0.043,635 -0.083,636 0.163,637 -0.03,638 0.038,639 -0.019,640 0.102,641 -0.008,642 -0.142,643 -0.011,644 -0.111,645 -0.105,646 -0.026,647 -0.09,648 -0.311,649 0.041,650 -0.207,651 0.026,652 -0.342,653 -0.071,654 -0.037,655 -0.043,656 0.014,657 -0.005,658 -0.042,659 0.011,660 -0.118,661 -0.044,662 -0.128,663 -0.095,664 -0.086,665 -0.109,666 0.96,667 2.35,669 8.757,670 0.991,671 1.157,672 1.438,673 2.068,674 0.58,675 2.565,676 2.639,677 2.639,678 2.565,679 2.398,680 2.079,681 1.946,682 1.609,683 0.693,685 4.394,686 0.531,687 185.31,688 2.565,689 3.932,690 4.635,691 5.38,692 6.116,693 6.87,694 7.619,695 8.377,696 9.132,697 9.893,698 9.4,701 1,707 2,741 32,743 2,745 12,747 31,748 9,752 2,763 1,770 3,772 2,773 7,777 2,784 1,785 2,786 1,790 1,793 19,794 4,795 1,796 4,802 3,804 1,809 1,840 1,855 1,857 1,864 3,868 13,875 1,876 4,881 1,893 3.1,898 1,901 8.167,902 6.383,903 3.361,904 2.04,907 0.602,908 1.133,909 0.819,910 7.456,911 5.124,912 2.708,913 2.944,914 3.178,915 3.296,916 3.178,917 2.944,918 2.833,919 2.565,920 1.609,922 0.8,923 13,924 4.744,925 -0.003,926 1.648,927 0.026,929 7.782,931 9.139,932 -0.001,933 6.235,934 0.004,936 2.282,937 29.667,938 0.008,941 211.88,942 46.703,943 33.157,945 42.806,948 46.703,949 254.686,950 33.157,951 25.618,952 9.709,954 23.146,955 75.963,957 200.109,959 211.88,960 79.86,961 42.806,964 188.338,965 66.348,968 51.692,969 19.121,970 9.047,972 211.88,973 75.963,974 46.703,977 211.88,978 12.037,979 37.79,981 72.839,982 211.88,983 75.963,984 46.703,986 0.513,987 0.277,988 0.134,989 0.065,990 2,991 2,992 0.194,993 6,996 2.48,997 59.284,1000 44.106,1005 12.273,1006 7.898,1007 6.435,1009 75.963,1017 42.806,1018 334.545,1019 14,1026 1.353,1027 7.242,1028 0.707,1031 31.702,1032 37.026,1034 0.288,1035 0.523,1036 0.751,1037 0.811,1038 0.811,1039 0.811,1040 3.807,1041 -1,1042 4.511,1043 -0.947,1044 3.296,1045 3.611,1046 2.215,1047 5.094,1048 3.182,1049 4.883,1050 -1,1051 5.943,1052 -1.759,1053 2.565,1054 2.944,1055 0.325,1056 5.746,1057 2.326,1058 6.08,1059 -1.547,1060 7.499,1061 -2,1062 4.635,1063 5.38,1064 2.973,1065 8.713,1066 4.375,1067 7.323,1068 -1.774,1069 9.134,1070 -3.167,1071 4.796,1072 5.638,1073 0.43,1074 10.275,1075 4.373,1076 8.608,1077 -1.915,1078 10.82,1079 -4.589,1080 6.297,1081 7.483,1082 3.924,1083 12.701,1084 5.864,1085 9.923,1087 12.538,1088 -5.466,1089 6.903,1090 8.196,1091 0.529,1092 14.585,1093 6.314,1094 11.26,1096 14.277,1098 8.136,1099 9.739,1100 4.945,1101 16.814,1102 7.518,1103 2.718,1105 16.03,1107 8.954,1108 10.679,1109 0.62,1110 18.822,1111 8.201,1112 1.768,1113 8.127,1114 17.792,1116 10.062,1117 12.066,1118 5.989,1119 20.974,1120 9.262,1121 1.439,1122 3.546,1123 19.559,1124 3.315,1125 10.978,1126 13.123,1127 0.701,1128 23.032,1129 10.062,1130 1.174,1131 2.974,1132 21.329,1133 1.802,1134 12.029,1135 14.427,1136 7.042,1137 25.152,1138 11.051,1139 0.681,1140 2.081,1141 23.102,1142 1.773,1143 12.99,1144 15.546,1145 0.775,1146 27.231,1147 11.91,1148 0.057,1149 1.112,1150 24.876,1151 1.352,1152 14.014,1153 16.804,1154 8.099,1155 29.337,1156 12.863,1157 -0.601,1158 0.088,1159 26.651,1160 0.752,1161 14.996,1162 17.957,1163 0.843,1164 31.425,1165 13.751,1166 1095,1167 1798,1168 7.049,1169 18.563,1170 16.181,1171 17.761,1172 16.814,1173 15.727,1174 15.674,1175 18.103,1176 6.501,1177 35.856,1178 14.81,1179 4.819,1180 5.385,1181 5.846,1182 4.612,1183 4.634,1184 5.852,1185 3.394,1186 13.593,1187 4.33,1188 8.191,1189 1.348,1190 1.48,1191 1.401,1192 1.311,1193 1.306,1194 1.509,1195 0.542,1196 2.988,1197 1.234,1198 3.795,1199 3.866,1200 3.698,1201 3.621,1202 6.546,1203 3.621,1204 3.629,1205 3.707,1206 3.47,1207 3.435,1208 4.692,1209 3.444,1210 3.329,1211 3.428,1212 3.135,1213 3.118,1214 4.175,1215 3.099,1216 3.243,1217 3.322,1218 3.074,1219 2.968,1220 4.062,1221 2.98,1222 2.874,1223 3.009,1224 2.615,1225 2.618,1226 3.927,1227 2.57,1228 2.84,1229 2.949,1230 2.499,1231 2.543,1232 3.518,1233 2.537,1234 2.505,1235 2.601,1236 2.221,1237 2.12,1238 3.467,1239 2.143,1240 2.218,1241 2.358,1242 1.838,1243 1.82,1244 2.914,1245 1.796,1246 0.335,1247 0.303,1248 0.492,1249 0.303,1250 0.227,1251 4.021,1252 0.276,1253 3.639,1254 0.141,1255 5.909,1256 0.677,1257 3.64,1258 0.209,1259 2.718,1260 3.315,1261 1.697,1262 8.127,1263 2.502,1264 1.752,1265 1.685,1266 2.003,1267 1.948,1268 1.31,1269 1.962,1270 1.594,1271 1.519,1272 1.823,1273 1.832,1274 0.928,1275 1.842,1276 1.337,1277 1.242,1278 1.681,1279 1.587,1280 0.841,1281 1.622,1282 1.168,1283 1.087,1284 1.418,1285 1.482,1286 0.469,1287 1.463,1288 0.934,1289 0.804,1290 1.417,1291 1.239,1292 0.458,1293 1.308,1294 0.815,1295 0.701,1296 1.228,1297 1.148,1298 0.296,1299 1.177,1300 0.409,1301 0.303,1302 0.885,1303 0.84,1304 0.037,1305 0.842,1306 0.2,1307 0.07,1308 0.678,1309 0.648,1311 0.698,1312 3.219,1314 4.344,1316 5.645,1318 7.04,1320 8.486,1322 5.909,1327 8.35,1328 4.28,1333 1.825,1340 16.993,1341 46.005,1342 83.758,1343 120.226,1344 129.735,1345 129.735,1346 129.735,1347 28.049,1348 4.522,1349 48.19,1350 48.19,1352 10.525,1353 1.585,1354 1.585,1355 42.526,1356 32,1357 36,1358 0.656,1359 115.626,1360 200.77,1361 273.887,1362 300,1364 10.104,1365 0.777,1366 0.669,1367 10.104,1368 8.695,1369 6.219,1370 0.518,1371 0.384,1372 4.528,1373 5.864,1374 4.297,1375 3.759,1376 6.219,1377 4.612,1378 4.642,1379 0.357,1380 0.237,1381 4.642,1382 3.086,1383 3.031,1384 0.233,1385 0.128,1386 3.031,1387 1.667,1388 2.015,1389 0.168,1390 0.075,1391 2.015,1392 0.905,1393 1.28,1394 0.128,1395 0.045,1396 1.28,1397 0.447,1398 1.018,1399 39.821,1400 0.377,1401 13.775,1402 1.784,1403 50,1404 163.085,1405 56.019,1406 157.218,1407 199.95,1408 144,1409 51,1410 137.097,1411 57.325,1412 139.608,1413 186.99,1414 126,1415 4.886}
{0 CHEMBL1952050,1 1.438,2 6.462,3 1.83,4 3.349,5 54.31,6 5.791,8 3.487,9 3.651,10 2.784,11 2.837,12 4.586,13 2.774,14 4.002,15 4.282,16 2.933,17 3.129,18 4.832,19 3.021,20 4.158,21 4.418,22 2.953,23 3.279,24 5.037,25 3.121,26 4.34,27 4.673,28 2.904,29 3.234,30 5.166,31 3.046,32 4.141,33 4.458,34 2.735,35 3.05,36 5.022,37 2.909,38 4.012,39 4.28,40 2.556,41 2.968,42 4.95,43 2.809,44 3.978,45 4.301,46 2.412,47 2.903,48 4.741,49 2.704,50 3.859,51 4.172,52 1.882,53 2.712,54 4.721,55 2.431,56 0.092,57 0.402,58 8.097,59 2.533,60 14.039,61 4.088,62 0.162,63 0.538,64 12.712,65 3.527,66 14.603,67 5.941,68 0.161,69 0.606,70 14.741,71 4.575,72 19.107,73 7.354,74 0.288,75 0.574,76 16.99,77 4.232,78 30.635,79 7.525,80 0.216,81 0.474,82 14.328,83 3.206,84 24.495,85 5.854,86 0.208,87 0.414,88 12.647,89 3.357,90 28.644,91 5.499,92 0.155,93 0.39,94 11.637,95 3.167,96 19.227,97 5.34,98 0.117,99 0.294,100 10.225,101 2.834,102 21.278,103 4.727,104 43,105 14,106 0.285,107 0.536,108 0.749,109 0.749,110 0.749,111 0.749,112 2.661,113 1.117,114 -2.67,115 -2.69,116 -2.61,121 28.1,122 2,123 1,124 1,126 2,127 1,156 1,160 1,172 1,176 3,179 1,180 1,187 3,191 2,192 1,206 3,209 2,219 2,232 3,237 1,244 2,249 1,261 2,281 177,282 8.182,283 8.182,284 8.182,285 8.182,286 8.182,287 7.576,288 9.044,289 5.204,290 8.42,291 5.866,292 5.866,293 5.866,294 5.866,295 5.866,296 5.131,297 8.905,298 2.364,299 6.192,300 3.562,301 2.296,302 1.219,303 1.219,304 1.219,305 1.219,306 3.232,311 1,312 1,313 148,314 3.742,325 1.041,326 7.916,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 28.5,338 84,339 4.022,340 3.639,341 5.91,342 3.642,343 2.72,344 3.315,345 1.697,346 8.128,347 2.506,348 3.217,349 3.112,350 4.656,351 3.21,352 2.215,353 2.218,354 1.032,355 5.17,356 2.204,357 2.842,358 2.242,359 3.86,360 2.393,361 1.469,362 1.783,363 0.521,364 3.192,365 1.354,366 2.537,367 1.818,368 3.317,369 2.17,370 1.225,371 1.461,373 2.343,374 1.155,375 1.762,376 1.217,377 2.63,378 1.565,379 0.604,380 0.666,382 1.08,383 0.579,384 0.841,385 0.609,386 2,387 0.712,388 -0.259,389 -0.273,391 -0.481,392 -0.251,393 0.354,394 -0.291,395 1.571,396 0.105,397 -0.839,398 -0.964,400 -1.547,401 -0.791,403 -0.6,404 1.355,406 -1,407 -1,409 -2,410 -0.9,412 -1,413 1,414 -0.1,415 -1,416 -1,417 -0.232,418 -2,419 -1,420 -0.166,421 -1.044,422 1,423 -0.49,424 -1.451,425 -1.561,426 -0.4,427 -3.75,428 -1.377,429 -0.637,430 -1.403,431 0.471,432 -0.835,433 -1.774,434 -2.109,435 -0.921,436 -4.662,437 -1.666,438 -0.772,439 -1.699,440 0.23,441 -0.971,442 -1.911,443 -2.538,444 -1.697,445 -5.472,446 -1.813,474 6.033,475 0.464,476 0.339,477 0.026,478 10.75,479 0.827,480 3,481 0.231,482 7.75,483 0.596,484 11.057,485 0.851,486 16.767,487 0.524,488 6.694,489 0.515,490 2.287,491 0.176,492 3.787,493 0.291,494 0.387,496 0.232,501 0.797,502 1.972,503 1.116,504 1.646,505 0.875,506 1.463,507 0.865,508 1.002,509 0.964,510 0.922,511 0.457,512 0.931,513 0.655,514 1.389,515 1.122,516 1.449,517 0.672,518 1.369,519 0.582,520 0.983,521 0.813,522 0.895,523 0.509,524 0.877,525 1.3,526 0.786,527 1.1,528 0.806,529 1.026,530 0.876,531 1.855,532 1.074,533 1.284,534 1.092,535 2.262,536 1.14,537 0.99,538 0.873,539 0.979,540 0.914,541 0.876,542 0.939,543 0.964,544 1.192,545 1.273,546 1.441,547 1.094,548 1.409,549 3,551 1.333,552 0.75,553 0.4,554 0.222,555 0.245,556 0.062,559 860,560 2114,561 1.682,562 59.4,563 7,564 8,566 1,567 1,569 2,572 1.482,573 1.529,574 2.746,575 -0.127,579 1,582 46.005,583 1.438,584 2.704,585 3.781,586 3.781,587 3.781,588 3.781,589 2.2,590 2.873,591 3.669,592 2.871,593 223.943,594 6.071,595 1760.62,597 1,600 160,601 1.549,602 3.574,603 0.25,605 0.095,606 0.058,607 0.033,608 0.022,609 0.031,610 0.009,613 0.498,614 0.67,615 1,616 2.134,617 49.084,618 0.178,619 -0.429,621 -0.215,622 0.078,623 -0.155,624 -0.043,625 0.18,626 0.052,627 0.141,628 0.078,629 0.119,630 0.063,631 -0.181,632 -0.141,633 -0.274,634 -0.018,635 -0.25,636 0.196,637 -0.074,638 0.119,639 0.005,640 0.146,641 0.047,642 -0.199,643 0.187,644 -0.085,645 0.049,646 -0.072,647 0.022,648 -0.3,649 -0.112,650 -0.24,651 -0.08,652 -0.354,653 -0.155,654 -0.101,655 0.036,656 -0.042,657 0.022,658 -0.03,659 0.004,660 -0.103,661 -0.277,662 -0.356,663 -0.471,664 -0.103,665 -0.449,666 0.969,667 2.356,669 8.26,670 0.991,671 1.157,672 1.438,673 2.068,674 0.58,675 2.565,676 2.708,677 2.639,678 2.565,679 2.398,680 2.197,681 2.079,682 1.099,685 4.215,686 0.531,687 185.31,688 2.565,689 3.97,690 4.673,691 5.442,692 6.176,693 6.948,694 7.694,695 8.465,696 9.218,697 9.988,698 9.4,701 1,707 2,741 32,743 2,745 12,747 31,748 9,752 2,763 2,770 1,772 2,773 7,774 1,777 2,784 1,785 2,786 1,790 1,793 19,794 4,795 1,796 4,802 3,804 1,809 1,840 1,855 1,857 1,864 4,868 13,875 1,876 2,880 1,881 1,893 3.1,898 1,901 8.5,902 6.717,903 3.194,904 1.873,907 0.602,908 1.133,909 0.81,910 6.375,911 5.124,912 2.708,913 2.996,914 3.178,915 3.296,916 3.219,917 3.045,918 3.045,919 2.197,922 1,923 13,924 4.738,925 -0.003,926 1.659,927 0.026,929 7.808,931 9.079,932 -0.001,933 6.257,934 0.004,936 2.308,937 30,938 0.008,941 211.88,942 50.459,943 33.157,945 42.806,948 50.459,949 254.686,950 33.157,951 34.443,952 4.64,954 23.146,955 75.963,957 200.109,959 211.88,960 83.616,961 42.806,964 188.338,965 66.348,968 55.448,969 19.121,970 9.047,972 211.88,973 75.963,974 50.459,977 211.88,978 6.968,979 46.615,981 72.839,982 211.88,983 75.963,984 50.459,986 0.54,987 0.268,988 0.123,989 0.059,990 3,991 3,992 0.161,993 5,996 2.413,997 60.607,1000 44.106,1005 12.273,1006 6.753,1007 6.435,1009 75.963,1017 42.806,1018 338.302,1019 14,1026 1.348,1027 7.244,1028 0.697,1031 31.702,1032 37.026,1034 0.288,1035 0.541,1036 0.756,1037 0.756,1038 0.756,1039 0.756,1040 3.85,1041 -1,1042 4.615,1043 -1.547,1044 3.367,1045 3.664,1046 2.215,1047 5.231,1048 3.262,1049 4.97,1050 -1,1051 6.08,1052 -2,1053 2.944,1054 3.219,1055 0.325,1056 5.953,1057 2.787,1058 6.188,1059 -1.451,1060 7.654,1061 -2,1062 4.762,1063 5.442,1064 2.973,1065 8.827,1066 4.538,1067 7.441,1068 -1.774,1069 9.29,1070 -3.75,1071 5.081,1072 5.771,1073 0.43,1074 10.362,1075 4.782,1076 8.726,1077 -1.911,1078 10.965,1079 -4.662,1080 6.444,1081 7.53,1082 3.924,1083 12.762,1084 6.081,1085 10.035,1087 12.668,1088 -5.472,1089 7.106,1090 8.256,1091 0.529,1092 14.622,1093 6.653,1094 11.362,1096 14.389,1098 8.269,1099 9.768,1100 4.945,1101 16.842,1102 7.749,1103 2.72,1105 16.124,1107 9.097,1108 10.707,1109 0.62,1110 18.838,1111 8.48,1112 2.215,1113 8.128,1114 17.87,1116 10.169,1117 12.082,1118 5.989,1119 20.986,1120 9.479,1121 1.469,1122 5.17,1123 19.623,1124 3.315,1125 11.08,1126 13.137,1127 0.701,1128 23.04,1129 10.292,1130 1.225,1131 3.192,1132 21.381,1133 2.218,1134 12.109,1135 14.436,1136 7.042,1137 25.158,1138 11.243,1139 0.604,1140 2.343,1141 23.144,1142 1.783,1143 13.062,1144 15.553,1145 0.775,1146 27.235,1147 12.099,1148 -0.259,1149 1.08,1150 24.91,1151 1.461,1152 14.074,1153 16.809,1154 8.099,1155 29.34,1156 13.028,1157 -0.839,1158 -0.481,1159 26.678,1160 0.666,1161 15.048,1162 17.962,1163 0.843,1164 31.427,1165 13.908,1166 1057,1167 1746,1168 6.762,1169 18.563,1170 17.091,1171 18.674,1172 17.412,1173 16.459,1174 16.466,1175 18.888,1176 6.501,1177 39.826,1178 15.597,1179 4.793,1180 5.338,1181 5.679,1182 4.613,1183 4.631,1184 5.854,1185 3.394,1186 13.6,1187 4.319,1188 9.043,1189 1.424,1190 1.556,1191 1.451,1192 1.372,1193 1.372,1194 1.574,1195 0.542,1196 3.319,1197 1.3,1198 3.806,1199 3.875,1200 3.705,1201 3.644,1202 6.546,1203 3.64,1204 3.637,1205 3.713,1206 3.494,1207 3.438,1208 4.693,1209 3.452,1210 3.3,1211 3.394,1212 3.132,1213 3.049,1214 4.235,1215 3.043,1216 3.176,1217 3.261,1218 2.991,1219 2.91,1220 4.063,1221 2.917,1222 2.874,1223 3.009,1224 2.499,1225 2.618,1226 3.905,1227 2.57,1228 2.874,1229 3.009,1230 2.499,1231 2.618,1232 3.467,1233 2.57,1234 2.634,1235 2.724,1236 2.431,1237 2.253,1238 3.467,1239 2.288,1240 2.276,1241 2.393,1242 1.934,1243 1.86,1244 3.254,1245 1.859,1246 0.335,1247 0.303,1248 0.492,1249 0.303,1250 0.227,1251 4.022,1252 0.276,1253 3.639,1254 0.141,1255 5.91,1256 0.677,1257 3.642,1258 0.209,1259 2.72,1260 3.315,1261 1.697,1262 8.128,1263 2.506,1264 1.77,1265 1.706,1266 2.012,1267 1.956,1268 1.298,1269 1.972,1270 1.592,1271 1.517,1272 1.817,1273 1.834,1274 0.887,1275 1.84,1276 1.272,1277 1.175,1278 1.603,1279 1.55,1280 0.765,1281 1.567,1282 1.115,1283 1.032,1284 1.417,1285 1.429,1286 0.469,1287 1.419,1288 0.934,1289 0.804,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.934,1295 0.804,1296 1.375,1297 1.239,1298 0.337,1299 1.308,1300 0.522,1301 0.417,1302 0.946,1303 0.934,1304 0.09,1305 0.927,1306 0.207,1307 0.098,1308 0.657,1309 0.679,1311 0.705,1312 3.219,1314 4.394,1316 5.727,1318 7.136,1320 8.588,1322 8.057,1327 8.356,1328 1.827,1332 0.651,1333 1.819,1340 16.993,1341 46.005,1342 86.513,1343 120.98,1344 120.98,1345 120.98,1346 120.98,1347 29.357,1348 4.522,1349 48.19,1350 48.19,1352 10.614,1353 1.585,1354 1.585,1355 42.43,1356 31,1357 27,1358 0.684,1359 115.626,1360 200.77,1361 273.887,1362 290,1364 10.268,1365 0.79,1366 0.681,1367 10.268,1368 8.858,1369 6.075,1370 0.506,1371 0.372,1372 4.384,1373 5.72,1374 4.084,1375 3.601,1376 6.075,1377 4.468,1378 5.118,1379 0.366,1380 0.254,1381 5.118,1382 3.561,1383 2.959,1384 0.228,1385 0.124,1386 2.959,1387 1.612,1388 1.97,1389 0.164,1390 0.066,1391 1.97,1392 0.787,1393 1.203,1394 0.12,1395 0.039,1396 1.203,1397 0.394,1398 1.05,1399 38.956,1400 0.385,1401 13.608,1402 1.899,1403 52,1404 165.085,1405 58.019,1406 160.01,1407 202.89,1408 146,1409 53,1410 139.097,1411 59.325,1412 142.933,1413 190.56,1414 128,1415 4.77}
{0 CHEMBL1952058,1 1.56,2 7,3 1.652,4 2.727,5 58.532,6 7.26,7 0.375,8 3.436,9 3.563,10 2.979,11 2.933,12 4.621,13 2.914,14 3.913,15 4.111,16 3.216,17 3.274,18 4.917,19 3.224,20 4.091,21 4.324,22 3.117,23 3.338,24 5.009,25 3.226,26 4.084,27 4.339,28 3.038,29 3.236,30 5.012,31 3.111,32 4.024,33 4.299,34 2.992,35 3.131,36 4.966,37 3.043,38 3.889,39 4.11,40 2.758,41 3.024,42 4.964,43 2.914,44 3.733,45 4.043,46 2.392,47 2.692,48 4.662,49 2.531,50 3.19,51 3.479,52 1.791,53 2.004,54 4.297,55 1.881,56 0.074,57 0.425,58 5.999,59 2.336,60 11.924,61 3.268,62 0.116,63 0.652,64 10.466,65 3.463,66 11.322,67 5.158,68 0.16,69 0.702,70 13.164,71 4.668,72 16.656,73 6.813,74 0.192,75 0.655,76 13.494,77 4.456,78 20.498,79 6.861,80 0.157,81 0.595,82 13.143,83 3.792,84 19.508,85 5.897,86 0.171,87 0.507,88 11.212,89 3.605,90 27.797,91 5.063,92 0.099,93 0.396,94 10.145,95 3.04,96 17.669,97 4.795,98 0.099,99 0.197,100 6.04,101 1.532,102 16.824,103 2.312,104 4,105 20,106 0.307,107 0.646,108 0.774,109 0.827,110 0.847,111 0.847,112 2.794,113 0.92,114 -2.6,115 -2.62,116 -2.55,121 39.3,127 3,144 5,145 1,156 1,160 1,172 1,176 6,179 1,180 1,187 6,191 2,192 2,200 3,206 3,209 2,219 4,232 4,237 1,244 3,249 2,256 1,261 2,274 1,281 225,282 10.491,283 10.491,284 10.491,285 10.491,286 10.491,287 9.135,288 12.291,289 6.641,290 10.724,291 7.903,292 7.903,293 7.903,294 7.903,295 7.903,296 6.148,297 15.714,298 3.094,299 8.244,300 3.247,301 1.522,302 0.87,303 0.598,304 0.5,305 0.5,306 3.447,311 1,312 1,313 218,314 2.121,317 41.171,318 46.547,325 0.933,326 7.993,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 32.5,338 105,339 4.143,340 3.644,341 6.177,342 3.833,343 2.903,344 3.503,345 1.697,346 9.197,347 2.708,348 3.851,349 3.277,350 5.322,351 3.426,352 2.439,353 3.319,354 1.077,355 6.887,356 2.398,357 3.013,358 2.662,359 4.313,360 2.582,361 1.621,362 2.139,363 0.626,364 4.077,365 1.558,366 2.846,367 1.851,368 3.595,369 2.389,370 1.414,371 1.859,372 0.146,373 3.015,374 1.375,375 2.5,376 1.486,377 3.444,378 2.045,379 1.113,380 1.5,382 2.49,383 1.034,384 2.457,385 1.374,386 3.247,387 2,388 1,389 1.325,391 2.136,392 1,393 2.043,394 1,395 3,396 1.799,397 0.846,398 0.982,400 1.473,401 0.804,402 1.116,403 0.749,404 2.701,405 0.89,406 -0.071,407 -0.079,409 -0.168,410 -0.068,411 0.715,412 0.195,413 1.774,414 0.509,415 -0.472,416 -0.532,418 -0.821,419 -0.462,420 0.5,421 -0.637,422 1.585,423 0.019,424 -0.941,425 -1.191,427 -1.997,428 -0.902,429 0.382,430 -1,431 1.555,433 -1,434 -1.5,436 -2.347,437 -1,438 -0.144,439 -1.003,440 1.414,441 -0.45,442 -1.414,443 -1.633,445 -3.267,446 -1.36,447 -0.266,448 -1.171,449 0.928,450 -0.678,451 -1.592,452 -1.968,453 -0.26,454 -4.505,455 -1.451,456 -0.5,457 -1.541,458 0.519,459 -0.94,460 -1.885,461 -2.198,462 -0.653,463 -4.789,464 -1.782,465 -0.785,466 -1.606,467 0.229,468 -1,469 -1.961,470 -2.525,471 -0.935,472 -5.201,473 -1.851,474 7.033,475 0.469,476 0.188,477 0.013,478 18.75,479 1.25,480 9,481 0.6,482 9.75,483 0.65,484 8.744,485 0.583,486 16.367,487 0.585,488 11.04,489 0.736,490 4.162,491 0.277,492 3.236,493 0.216,494 0.047,496 0.199,501 0.758,502 1.382,503 0.819,504 1.095,505 0.763,506 0.995,507 0.863,508 1.084,509 1.001,510 0.982,511 0.528,512 0.988,513 0.713,514 0.99,515 1.07,516 1.123,517 0.643,518 1.147,519 0.494,520 1.128,521 0.939,522 1.129,523 0.495,524 1.106,525 1.02,526 0.807,527 0.873,528 0.782,529 0.896,530 0.781,531 1.658,532 1.082,533 1.312,534 1.125,535 1.956,536 1.187,537 0.751,538 0.94,539 0.841,540 0.967,541 0.698,542 0.919,543 1.812,544 0.836,545 1.114,546 0.909,547 2.051,548 0.916,549 2,551 1.111,552 0.632,553 0.471,554 0.247,555 0.091,556 0.058,557 0.033,558 0.016,559 1643,560 4714,561 2.071,562 46.4,564 11,566 1,567 1,572 1.53,573 2,574 2.85,575 -0.2,579 1,582 43.692,583 1.56,584 3.285,585 3.937,586 4.209,587 4.307,588 4.307,589 2.232,590 3.323,591 3.878,592 2.909,593 305.404,594 6.495,595 2533.18,597 1,600 134.606,601 1.053,602 3.867,603 0.125,605 0.056,606 0.037,607 0.031,608 0.016,609 0.008,610 0.008,611 0.011,612 0.016,613 0.309,614 0.83,615 1,616 1.042,617 58.972,618 0.134,619 -0.174,620 0.043,621 -0.02,622 0.091,623 -0.015,624 -0.104,625 0.078,626 -0.105,627 -0.001,628 -0.039,629 -0.041,630 0.008,631 0.036,632 -0.157,633 -0.128,634 -0.043,635 -0.166,636 0.235,637 -0.173,638 0.003,639 -0.155,640 0.133,641 -0.122,642 -0.086,643 0.134,644 0.116,645 0.144,646 -0.034,647 0.173,648 -0.323,649 -0.159,650 -0.331,651 -0.148,652 -0.346,653 -0.238,654 0.056,655 -0.123,656 0.162,657 -0.037,658 0.138,659 0.068,660 -0.211,661 -0.08,662 -0.02,663 -0.045,664 -0.118,665 -0.004,666 0.915,667 2.472,668 0.733,669 8.4,670 1.002,671 1.135,672 1.368,673 1.872,674 0.653,675 2.833,676 3.045,677 3.258,678 3.466,679 3.497,680 3.367,681 3.367,682 3.296,683 3.178,684 2.944,685 4.227,686 0.622,687 203.27,688 2.833,689 4.29,690 5.094,691 5.922,692 6.746,693 7.583,694 8.416,695 9.255,696 10.091,697 10.932,698 10.7,701 1,707 2,715 5,720 1,722 6,741 28,743 8,744 1,745 16,747 29,748 11,749 6,750 1,751 5,752 2,756 2,757 2,772 8,773 3,777 2,784 1,785 2,786 1,790 1,793 13,794 4,795 1,796 4,802 3,804 1,808 1,809 1,828 1,829 1,840 1,855 1,857 1,859 2,868 15,875 1,876 3,881 1,893 3.6,898 1,901 7.5,902 4.8,903 3.528,904 1.576,907 1.612,908 1.285,909 0.922,910 3.226,911 7.272,912 3.091,913 3.541,914 3.984,915 4.402,916 4.704,917 4.531,918 4.753,919 4.988,920 5.181,921 5.2,922 0.8,923 17,924 5.475,925 -0.001,926 2.187,927 0.026,929 7.756,931 10.511,933 8.207,936 2.256,937 33.833,938 0.004,941 141.253,942 68.259,943 33.157,945 42.806,948 68.259,949 184.059,950 33.157,952 6.317,953 47.381,954 23.146,955 79.149,957 129.482,959 141.253,960 101.417,961 42.806,964 141.253,965 42.806,968 39.474,969 52.895,970 9.047,972 141.253,973 75.963,974 68.259,977 141.253,978 11.831,979 59.553,981 72.839,982 141.253,983 75.963,984 68.259,986 0.543,987 0.314,988 0.181,989 0.091,990 9,991 3,992 0.103,993 3,995 1,996 2.841,997 91.538,999 11,1000 54.603,1005 10.026,1006 4.826,1007 2.492,1009 75.963,1010 10.181,1015 1.235,1017 42.806,1018 285.475,1019 21,1026 1.385,1027 7.248,1028 0.751,1031 28.051,1032 31.78,1034 0.325,1035 0.683,1036 0.819,1037 0.876,1038 0.896,1039 0.896,1040 4.256,1041 -0.071,1042 5.004,1043 1.473,1044 3.714,1045 4.22,1046 2.273,1047 5.707,1048 3.63,1049 5.39,1050 -0.472,1051 6.482,1052 -0.168,1053 2.944,1054 3.481,1055 0.325,1056 6.389,1057 2.787,1058 6.632,1059 -0.941,1060 8.066,1061 -0.821,1062 5.176,1063 6.193,1064 2.998,1065 9.482,1066 4.992,1067 7.911,1068 -1,1069 9.719,1070 -1.997,1071 5.352,1072 6.333,1073 0.537,1074 11.085,1075 5.062,1076 9.224,1077 -1.414,1078 11.417,1079 -2.347,1080 6.938,1081 8.419,1082 3.935,1083 13.611,1084 6.636,1085 10.56,1086 -1.592,1087 13.147,1088 -3.267,1089 7.567,1090 8.983,1091 0.716,1092 15.569,1093 7.15,1094 11.914,1095 -1.885,1096 14.898,1097 -4.505,1098 8.862,1099 10.76,1100 4.949,1101 17.901,1102 8.425,1103 2.903,1104 -1.961,1105 16.664,1106 -4.789,1107 9.709,1108 11.552,1109 0.876,1110 20.006,1111 9.161,1112 2.439,1113 9.197,1114 18.442,1115 -5.201,1116 10.872,1117 13.155,1118 5.991,1119 22.266,1120 10.291,1121 1.621,1122 6.887,1123 20.227,1124 3.503,1125 11.827,1126 14.084,1127 1.026,1128 24.434,1129 11.142,1130 1.414,1131 4.077,1132 22.019,1133 3.319,1134 12.93,1135 15.579,1136 7.043,1137 26.667,1138 12.199,1139 1.113,1140 3.015,1141 23.815,1142 2.139,1143 13.938,1144 16.596,1145 1.168,1146 28.862,1147 13.111,1148 1,1149 2.49,1150 25.616,1151 1.859,1152 15.016,1153 18.02,1154 8.099,1155 31.086,1156 14.132,1157 0.846,1158 2.136,1159 27.419,1160 1.5,1161 16.05,1162 19.098,1163 1.307,1164 33.294,1165 15.077,1166 1686,1167 2923,1168 10.92,1169 18.279,1170 23.33,1171 24.806,1172 23.597,1173 22.671,1174 22.671,1175 29.255,1176 7.093,1177 58.55,1178 21.751,1179 5.013,1180 5.644,1181 5.979,1182 4.856,1183 4.903,1184 6.503,1185 3.394,1186 15.376,1187 4.708,1188 4.63,1189 1.458,1190 1.55,1191 1.475,1192 1.417,1193 1.417,1194 1.828,1195 0.443,1196 3.659,1197 1.359,1198 3.95,1199 3.996,1200 3.878,1201 3.863,1202 6.546,1203 3.859,1204 3.773,1205 3.829,1206 3.7,1207 3.593,1208 4.786,1209 3.614,1210 3.271,1211 3.337,1212 3.169,1213 3.008,1214 4.681,1215 3.029,1216 3.106,1217 3.185,1218 2.943,1219 2.955,1220 3.971,1221 2.942,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.787,1227 2.715,1228 2.572,1229 2.654,1230 2.411,1231 2.327,1232 3.674,1233 2.317,1234 2.547,1235 2.639,1236 2.349,1237 2.162,1238 3.342,1239 2.215,1240 2.258,1241 2.389,1242 1.91,1243 1.89,1244 3.084,1245 1.876,1246 0.259,1247 0.228,1248 0.386,1249 0.24,1250 0.181,1251 4.143,1252 0.219,1253 3.644,1254 0.106,1255 6.177,1256 0.575,1257 3.833,1258 0.169,1259 2.903,1260 3.503,1261 1.697,1262 9.197,1263 2.708,1264 1.912,1265 1.881,1266 2.041,1267 2.003,1268 1.184,1269 2.017,1270 1.49,1271 1.429,1272 1.735,1273 1.731,1274 1.002,1275 1.713,1276 1.46,1277 1.384,1278 1.607,1279 1.687,1280 0.713,1281 1.691,1282 1.084,1283 1.017,1284 1.347,1285 1.353,1286 0.408,1287 1.345,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.705,1295 0.626,1296 0.995,1297 1.054,1298 0.064,1299 1.037,1300 0.407,1301 0.293,1302 0.863,1303 0.72,1305 0.771,1306 0.136,1307 0.026,1308 0.641,1309 0.638,1311 0.665,1312 3.497,1314 4.727,1315 2.398,1316 6.155,1317 4.595,1318 7.671,1319 6.555,1320 9.231,1327 8.472,1328 2.468,1333 2.092,1340 17.413,1341 43.692,1342 91.977,1343 110.241,1344 117.851,1345 120.606,1346 120.606,1347 15.584,1348 5.659,1349 48.19,1350 48.19,1351 11,1352 11.498,1353 3.17,1354 2.585,1355 23.59,1356 37,1357 37,1358 0.321,1359 111.242,1360 191.83,1361 263.189,1362 1658,1364 10.51,1365 0.701,1366 0.558,1367 10.51,1368 8.374,1369 7.398,1370 0.462,1371 0.307,1372 4.832,1373 7.062,1374 4.736,1375 3.941,1376 7.398,1377 4.907,1378 5.979,1379 0.299,1380 0.17,1381 5.979,1382 3.392,1383 4.837,1384 0.193,1385 0.094,1386 4.837,1387 2.357,1388 4.026,1389 0.13,1390 0.053,1391 4.026,1392 1.638,1393 2.843,1394 0.089,1395 0.03,1396 2.843,1397 0.966,1398 0.486,1399 46.729,1400 0.303,1401 15.311,1402 0.917,1403 72,1404 217.085,1405 78.685,1406 212.502,1407 284.48,1408 198,1409 81,1410 205.801,1411 88.186,1412 207.923,1413 292.5,1414 194,1415 4.357}
{0 CHEMBL1952059,1 1.848,2 7.706,3 2.98,4 8.882,5 68.141,6 9.72,7 0.333,8 3.456,9 3.559,10 3.235,11 3.02,12 4.689,13 3,14 3.938,15 4.107,16 3.595,17 3.396,18 5.052,19 3.347,20 4.133,21 4.318,22 3.628,23 3.509,24 5.207,25 3.401,26 4.132,27 4.332,28 3.679,29 3.414,30 5.269,31 3.285,32 4.047,33 4.296,34 3.36,35 3.25,36 5.056,37 3.164,38 3.941,39 4.101,40 3.373,41 3.205,42 5.187,43 3.1,44 3.779,45 4.036,46 3.032,47 2.89,48 4.864,49 2.741,50 3.271,51 3.467,52 2.964,53 2.371,54 4.756,55 2.29,56 0.124,57 0.404,58 3.502,59 2.251,60 12.883,61 2.674,62 0.215,63 0.624,64 8.155,65 3.626,66 12.963,67 4.42,68 0.324,69 0.661,70 15.269,71 5.258,72 26.473,73 6.393,74 0.429,75 0.621,76 21.866,77 5.454,78 34.06,79 6.833,80 0.318,81 0.582,82 15.642,83 4.616,84 30.188,85 5.911,86 0.397,87 0.466,88 15.367,89 4.342,90 41.308,91 4.726,92 0.281,93 0.374,94 16.132,95 4.033,96 26.564,97 5.201,98 0.275,99 0.171,100 10.822,101 2.296,102 29.036,103 2.486,104 12,105 24,106 0.363,107 0.718,108 0.855,109 0.903,110 0.903,111 0.903,112 2.908,113 0.978,114 -3.69,115 -3.65,116 -3.48,121 39.3,127 3,144 3,145 1,146 2,156 1,160 1,172 1,176 2,179 1,180 1,187 7,191 2,192 1,200 3,206 4,209 2,214 3,219 2,232 5,237 1,244 3,249 1,256 1,261 3,269 1,281 302,282 11.439,283 11.439,284 11.439,285 11.439,286 11.439,287 10.004,288 14.148,289 6.917,290 11.918,291 8.847,292 8.847,293 8.847,294 8.847,295 8.847,296 6.943,297 16.009,298 3.197,299 9.687,300 2.959,301 1.152,302 0.456,303 0.214,304 0.214,305 0.214,306 3.558,308 2,311 1,312 1,313 269,314 2.345,317 47.773,318 54.28,325 1.052,326 14.894,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 37.167,338 131,339 4.265,340 3.645,341 6.236,342 3.895,343 2.963,344 3.886,345 1.697,346 9.376,347 2.746,348 4.07,349 3.352,350 5.974,351 3.657,352 2.737,353 3.378,354 1.077,355 8.435,356 2.496,357 3.46,358 3.149,359 4.963,360 2.989,361 2.109,362 2.771,363 0.626,364 5.829,365 1.784,366 2.967,367 2.734,368 4.409,369 2.519,370 1.607,371 2.03,372 0.146,373 4.26,374 1.447,375 2.822,376 2.126,377 4.069,378 2.342,379 1.414,380 1.868,382 3.504,383 1.241,384 2.488,385 1.656,386 3.477,387 2.074,388 1.144,389 1.362,391 2.547,392 1.057,393 2.049,394 1.401,395 3,396 1.799,397 0.846,398 0.984,400 1.473,401 0.804,402 1.507,403 0.797,404 2.93,405 1.178,406 0.295,407 0.341,409 0.7,410 0.232,411 0.816,412 0.717,413 2.359,414 0.604,415 -0.337,416 -0.367,418 -0.61,419 -0.293,420 0.784,421 0.256,422 2.185,423 0.281,424 -0.514,425 -0.621,427 -1.242,428 -0.297,429 0.516,430 -0.102,431 1.751,432 0.2,433 -0.686,434 -0.794,436 -1.531,437 -0.586,438 0.086,439 -0.781,440 1.527,441 -0.346,442 -1.175,443 -1.452,445 -2.843,446 -1.008,447 -0.153,448 -1.004,449 1.381,450 -0.542,451 -1.414,452 -1.666,454 -3.649,455 -1.157,456 -0.225,457 -1.128,458 1.288,459 -0.691,460 -1.527,461 -1.891,463 -4.044,464 -1.372,465 -0.288,466 -1.254,467 1,468 -0.781,469 -1.607,470 -2.053,471 -0.26,472 -4.532,473 -1.456,474 8.462,475 0.498,476 0.383,477 0.023,478 20.25,479 1.191,480 9,481 0.529,482 11.25,483 0.662,484 12.457,485 0.733,486 18.538,487 0.662,488 12.426,489 0.731,490 4.323,491 0.254,492 3.88,493 0.228,494 0.208,496 0.284,501 0.682,502 1.369,503 0.516,504 0.813,505 0.695,506 0.823,507 0.789,508 1.051,509 0.628,510 0.695,511 0.5,512 0.786,513 0.902,514 0.959,515 1.013,516 0.995,517 0.781,518 1.076,519 0.669,520 1.152,521 0.977,522 1.168,523 0.667,524 1.182,525 0.892,526 0.791,527 0.629,528 0.638,529 0.842,530 0.695,531 1.496,532 1.113,533 1.319,534 1.253,535 1.825,536 1.276,537 0.88,538 0.951,539 1.007,540 1.033,541 0.862,542 0.977,543 1.475,544 0.83,545 1.4,546 1.138,547 1.595,548 0.911,549 3.5,551 2,552 1.007,553 0.853,554 0.42,555 0.267,556 0.183,557 0.089,558 0.036,559 2205,560 9216,561 1.994,562 39.3,564 9,566 1,567 1,572 1.57,573 1.855,574 2.942,575 -0.141,577 1,579 1,582 51.744,583 1.848,584 3.655,585 4.352,586 4.593,587 4.593,588 4.593,589 2.352,590 3.852,591 4.059,592 3.025,593 411.446,594 6.866,595 3721.5,596 1,597 1,598 1,599 1,600 134.606,601 1.447,602 4.01,603 0.194,605 0.083,606 0.046,607 0.045,608 0.023,609 0.018,610 0.018,611 0.013,612 0.018,613 0.458,614 0.83,615 1,616 1.163,617 70.304,618 0.028,619 -0.167,620 -0.001,621 0.014,622 0.029,623 -0.005,624 -0.115,625 0.121,626 0.015,627 0.146,628 0.016,629 0.076,630 -0.106,631 0.065,632 -0.119,633 -0.049,634 -0.083,635 -0.127,636 0.189,637 -0.201,638 0.029,639 -0.191,640 0.092,641 -0.194,642 -0.081,643 0.176,644 0.137,645 0.28,646 -0.046,647 0.299,648 -0.265,649 -0.202,650 -0.275,651 -0.263,652 -0.389,653 -0.341,654 0.038,655 -0.126,656 0.069,657 -0.009,658 0.041,659 0.102,660 0.138,661 -0.084,662 0.109,663 -0.031,664 0.244,665 0.112,666 1.05,667 2.52,668 0.647,669 10.014,670 1.025,671 1.131,672 2.457,673 6.036,674 0.714,675 2.944,676 3.219,677 3.434,678 3.638,679 3.714,680 3.664,681 3.611,682 3.611,683 3.497,684 3.367,685 4.542,686 0.681,687 272.15,688 2.944,689 4.443,690 5.263,691 6.116,692 6.957,693 7.815,694 8.664,695 9.522,696 10.374,697 11.232,698 10.7,701 1,707 2,715 3,720 3,722 6,740 2,741 28,743 8,744 1,745 18,747 29,748 11,749 6,750 3,751 3,752 2,756 2,757 2,758 2,772 8,773 3,777 2,784 1,785 2,786 1,790 1,793 11,794 4,795 1,796 6,797 2,802 3,804 1,808 1,809 1,828 1,829 1,840 1,855 1,857 1,859 2,865 2,868 17,875 1,876 3,881 1,892 2,893 3.6,898 1,901 9.167,902 4.919,903 3.889,904 1.543,907 1.663,908 1.28,909 0.926,910 4.126,911 7.595,912 3.178,913 3.701,914 4.163,915 4.594,916 4.945,917 4.949,918 4.973,919 5.248,920 5.437,921 5.553,922 1,923 22,924 6.188,926 2.523,927 0.026,929 7.935,931 11.633,933 9.167,936 2.435,937 41.389,938 0.001,941 117.711,942 56.308,943 33.157,944 78.297,945 42.806,948 56.308,949 238.814,950 33.157,952 6.317,953 28.429,954 23.146,955 86.15,957 105.94,958 78.297,959 117.711,960 89.465,961 42.806,962 78.297,964 117.711,965 42.806,968 39.474,969 40.943,970 87.345,972 117.711,973 75.963,974 134.605,977 117.711,978 18.832,979 40.6,981 151.136,982 117.711,983 75.963,984 134.605,986 0.566,987 0.328,988 0.179,989 0.091,990 11,991 5,992 0.103,993 3,995 1,996 2.935,997 112.032,999 11,1000 69.487,1005 12.52,1006 5.602,1007 3.044,1009 75.963,1010 5.401,1015 2.215,1017 42.806,1018 328.279,1019 23,1026 1.33,1027 7.209,1028 0.665,1031 28.698,1032 31.668,1034 0.384,1035 0.76,1036 0.905,1037 0.955,1038 0.955,1039 0.955,1040 4.388,1041 0.295,1042 5.231,1043 1.473,1044 3.892,1045 4.382,1046 2.273,1047 5.994,1048 3.711,1049 5.573,1050 -0.337,1051 6.763,1052 0.7,1053 3.434,1054 4.086,1055 0.325,1056 6.804,1057 3.046,1058 6.86,1059 -0.514,1060 8.395,1061 -0.61,1062 5.434,1063 6.465,1064 2.998,1065 9.861,1066 5.101,1067 8.181,1068 -0.686,1069 10.084,1070 -1.242,1071 5.802,1072 6.975,1073 0.537,1074 11.486,1075 5.28,1076 9.531,1077 -1.175,1078 11.81,1079 -1.531,1080 7.261,1081 8.821,1082 3.935,1083 14.032,1084 6.774,1085 10.902,1086 -1.414,1087 13.56,1088 -2.843,1089 8.005,1090 9.709,1091 0.716,1092 15.985,1093 7.359,1094 12.288,1095 -1.527,1096 15.326,1097 -3.649,1098 9.239,1099 11.318,1100 4.949,1101 18.34,1102 8.595,1103 2.963,1104 -1.607,1105 17.105,1106 -4.044,1107 10.157,1108 12.402,1109 0.876,1110 20.437,1111 9.38,1112 2.737,1113 9.376,1114 18.893,1115 -4.532,1116 11.295,1117 13.894,1118 5.991,1119 22.714,1120 10.492,1121 2.109,1122 8.435,1123 20.687,1124 3.886,1125 12.293,1126 15.087,1127 1.026,1128 24.876,1129 11.378,1130 1.607,1131 5.829,1132 22.486,1133 3.378,1134 13.391,1135 16.517,1136 7.043,1137 27.121,1138 12.43,1139 1.414,1140 4.26,1141 24.289,1142 2.771,1143 14.426,1144 17.772,1145 1.168,1146 29.314,1147 13.368,1148 1.144,1149 3.504,1150 26.095,1151 2.03,1152 15.507,1153 19.168,1154 8.099,1155 31.546,1156 14.391,1157 0.846,1158 2.547,1159 27.903,1160 1.868,1161 16.561,1162 20.461,1163 1.307,1164 33.755,1165 15.356,1166 2289,1167 4754,1168 11.731,1169 19.994,1170 26.811,1171 28.753,1172 27.45,1173 26.507,1174 26.233,1175 33.238,1176 7.093,1177 72.247,1178 23.614,1179 5.143,1180 5.645,1181 6.007,1182 4.93,1183 4.963,1184 6.886,1185 3.394,1186 15.817,1187 4.746,1188 8.465,1189 1.49,1190 1.597,1191 1.525,1192 1.473,1193 1.457,1194 1.847,1195 0.394,1196 4.014,1197 1.312,1198 3.958,1199 3.995,1200 4.097,1201 3.892,1202 6.546,1203 3.884,1204 3.779,1205 3.827,1206 3.763,1207 3.598,1208 5.016,1209 3.62,1210 3.272,1211 3.337,1212 3.584,1213 3.031,1214 4.722,1215 3.039,1216 3.119,1217 3.183,1218 3.195,1219 2.975,1220 4.624,1221 2.97,1222 2.879,1223 2.922,1224 3.106,1225 2.795,1226 4.116,1227 2.767,1228 2.587,1229 2.652,1230 2.694,1231 2.412,1232 3.96,1233 2.388,1234 2.568,1235 2.635,1236 2.411,1237 2.163,1238 3.591,1239 2.215,1240 2.269,1241 2.386,1242 2.326,1243 1.912,1244 3.321,1245 1.897,1246 0.237,1247 0.203,1248 0.346,1249 0.216,1250 0.165,1251 4.265,1252 0.216,1253 3.645,1254 0.094,1255 6.236,1256 0.521,1257 3.895,1258 0.153,1259 2.963,1260 3.886,1261 1.697,1262 9.376,1263 2.746,1264 1.901,1265 1.883,1266 1.971,1267 1.975,1268 1.185,1269 1.987,1270 1.488,1271 1.429,1272 1.727,1273 1.725,1274 1,1275 1.706,1276 1.46,1277 1.384,1278 1.593,1279 1.684,1280 0.702,1281 1.688,1282 1.075,1283 1.018,1284 1.316,1285 1.342,1286 0.397,1287 1.33,1288 0.868,1289 0.824,1290 1.098,1291 1.036,1292 0.168,1293 1.062,1294 0.692,1295 0.628,1296 0.964,1297 1.007,1298 0.057,1299 1.01,1300 0.379,1301 0.297,1302 0.666,1303 0.653,1305 0.67,1306 0.136,1307 0.026,1308 0.639,1309 0.595,1311 0.653,1312 3.611,1314 4.89,1315 2.398,1316 6.358,1317 4.595,1318 7.916,1319 6.555,1320 9.521,1323 11.935,1327 8.52,1328 2.119,1333 1.995,1340 19.068,1341 51.744,1342 102.341,1343 121.851,1344 128.606,1345 128.606,1346 128.606,1347 23.912,1348 5.932,1349 48.19,1350 48.19,1351 11,1352 11.785,1353 3.17,1354 2.585,1355 28.4,1356 46,1357 46,1358 0.316,1359 127.907,1360 222.25,1361 303.854,1362 2318,1363 7.1,1364 12.251,1365 0.721,1366 0.617,1367 13.251,1368 10.487,1369 8.203,1370 0.456,1371 0.326,1372 5.097,1373 7.265,1374 4.932,1375 4.047,1376 8.78,1377 5.868,1378 7.131,1379 0.297,1380 0.187,1381 7.91,1382 4.485,1383 5.691,1384 0.19,1385 0.103,1386 6.306,1387 3.104,1388 4.642,1389 0.125,1390 0.058,1391 5.323,1392 2.158,1393 3.27,1394 0.082,1395 0.032,1396 3.668,1397 1.299,1398 0.481,1399 57.907,1400 0.292,1401 17.089,1402 0.902,1403 84,1404 285.492,1405 121.723,1406 336.599,1407 427.78,1408 310,1409 96,1410 260.527,1411 124.654,1412 281.918,1413 402.44,1414 263,1415 4.62}
{0 CHEMBL1952060,1 1.957,2 8.304,3 3.536,4 12.504,5 70.479,6 9.979,7 0.25,8 3.686,9 3.787,10 3.434,11 3.088,12 5.069,13 3.169,14 4.272,15 4.429,16 3.972,17 3.447,18 6.395,19 3.54,20 4.353,21 4.524,22 3.819,23 3.566,24 5.833,25 3.602,26 4.539,27 4.757,28 3.831,29 3.527,30 6.004,31 3.587,32 4.414,33 4.599,34 3.932,35 3.428,36 5.919,37 3.552,38 4.634,39 4.846,40 4.015,41 3.308,42 6.862,43 3.439,44 4.092,45 4.293,46 3.584,47 3.126,48 5.553,49 3.225,50 4.231,51 4.423,52 3.695,53 2.777,54 6.175,55 3.072,56 0.481,57 0.97,58 3.224,59 3.176,60 90.023,61 2.786,62 1.494,63 1.931,64 10.464,65 4.937,66 266.252,67 4.52,68 1.048,69 1.547,70 9.954,71 6.298,72 150.007,73 6.364,74 1.744,75 1.51,76 19.876,77 6.847,78 289.611,79 6.906,80 1.259,81 1.722,82 13.219,83 5.855,84 214.956,85 5.851,86 3.036,87 1.895,88 25.777,89 5.936,90 541.513,91 4.897,92 0.945,93 1.193,94 11.237,95 4.478,96 160.464,97 4.987,98 1.519,99 1.171,100 13.865,101 3.877,102 236.524,103 2.479,104 60,105 36,106 0.368,107 0.677,108 0.762,109 0.778,110 0.793,111 0.793,112 3.189,113 0.795,114 -4.46,115 -4.38,116 -4.13,121 38.2,127 3,134 2,144 3,145 3,156 1,160 1,172 1,176 6,179 1,180 1,187 6,191 2,192 2,200 3,206 3,209 2,219 4,232 4,237 1,244 3,249 2,256 1,261 2,274 1,281 723,282 14.331,283 14.331,284 14.331,285 14.331,286 14.331,287 13.106,288 21.201,289 8.238,290 15.065,291 11.835,292 11.835,293 11.835,294 11.835,295 11.835,296 10.052,297 28.433,298 3.851,299 13.147,300 3.13,301 1.486,302 1.03,303 0.949,304 0.868,305 0.868,306 3.837,310 1,311 1,312 1,313 383,314 4.183,317 67.809,318 79.423,325 1.274,326 64.279,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 57.5,338 191,339 4.567,340 4.482,341 7.183,342 4.279,343 3.399,344 4.053,345 3.825,346 11.964,347 3.039,348 4.292,349 4.439,350 7.052,351 4.059,352 3.23,353 3.425,354 3.825,355 11.446,356 2.676,357 4.125,358 3.644,359 6.177,360 3.816,361 2.894,362 3.396,363 1.697,364 9.198,365 2.662,366 3.693,367 3.277,368 5.405,369 3.325,370 2.379,371 2.957,372 1.077,373 7.156,374 2.218,375 3.011,376 2.717,377 4.667,378 2.605,379 1.686,380 2.093,381 0.626,382 4.963,383 1.516,384 2.866,385 2.08,386 4.377,387 2.423,388 1.476,389 1.869,390 0.146,391 3.92,392 1.379,393 2.65,394 1.672,395 4.261,396 2.211,397 1.285,398 1.698,400 3.859,401 1.157,402 2.462,403 1.634,404 3.475,405 2.054,406 1.128,407 1.33,409 2.537,410 1.042,411 2.043,412 1.399,413 3,414 1.799,415 0.846,416 0.982,418 1.473,419 0.804,420 1.123,421 0.749,422 2.878,423 0.89,424 -0.071,425 -0.079,427 -0.182,428 -0.068,429 0.756,430 0.51,431 2.861,432 0.516,433 -0.465,434 -0.527,436 -0.862,437 -0.455,438 0.73,439 0.51,440 2.784,441 0.333,442 -0.644,443 -0.852,445 -2.059,446 -0.625,447 0.438,448 0.51,449 2,450 0.109,451 -0.85,452 -1,454 -2.215,455 -0.7,457 0.51,458 2,459 -0.3,460 -1,461 -1,463 -3,464 -0.7,466 0.198,467 2,468 -0.3,469 -1,470 -1,471 -0.26,472 -3,473 -0.7,474 9.748,475 0.424,476 0.977,477 0.042,478 24.25,479 1.054,480 9,481 0.391,482 15.25,483 0.663,484 18.892,485 0.821,486 28.052,487 0.825,488 23.338,489 1.015,490 5.52,491 0.24,492 5.088,493 0.221,494 0.21,495 0.103,496 0.246,498 6,501 0.623,502 1.019,503 0.548,504 1.149,505 0.666,506 0.973,507 0.436,508 0.643,509 0.593,510 0.839,511 0.353,512 0.859,513 0.61,514 0.934,515 0.787,516 1.285,517 0.525,518 1.287,519 1,520 1.022,521 1.047,522 1.007,523 0.99,524 1.04,525 0.864,526 1.238,527 0.706,528 1.34,529 0.846,530 1.084,531 1.113,532 0.587,533 1.353,534 0.551,535 1.178,536 0.899,537 0.747,538 1.148,539 0.564,540 1.266,541 0.746,542 0.991,543 1.752,544 1.542,545 1.412,546 1.241,547 1.805,548 1.086,549 8,551 3.111,552 1.882,553 1.529,554 1.344,555 0.522,556 0.539,557 0.368,558 0.136,559 4563,560 25530,561 1.879,562 32.4,564 9,566 1,567 1,572 1.664,573 1.683,574 2.986,575 -0.112,577 1,579 1,582 66.55,583 1.957,584 3.601,585 4.057,586 4.139,587 4.22,588 4.22,589 2.382,590 3.588,591 4.496,592 3.186,593 806.167,594 7.778,595 9162.19,596 1,597 1,598 1,599 1,600 172.974,601 1.837,602 4.381,603 0.333,605 0.086,606 0.057,607 0.048,608 0.038,609 0.017,610 0.022,611 0.016,612 0.015,613 0.633,614 0.5,615 1,616 1.299,617 106.034,618 -0.033,619 -0.096,620 -0.005,621 -0.024,622 -0.081,623 -0.008,624 0.386,625 0.364,626 0.171,627 0.184,628 0.467,629 0.063,630 0.006,631 -0.131,632 -0.029,633 -0.248,634 0.063,635 -0.225,636 -0.15,637 -0.153,638 -0.055,639 -0.025,640 -0.149,641 0.033,642 -0.094,643 -0.4,644 0.185,645 -0.363,646 -0.086,647 -0.052,648 0.195,649 0.557,650 -0.191,651 0.366,652 0.147,653 -0.016,654 0.001,655 -0.36,656 0.387,657 -0.274,658 -0.011,659 0.123,660 -0.416,661 -0.336,662 -0.299,663 -0.326,664 -0.442,665 -0.268,666 6.134,667 4.788,668 0.478,669 17.323,670 1.085,671 1.196,672 3.226,673 10.407,674 0.63,675 3.219,676 3.611,677 3.738,678 3.932,679 4.143,680 4.205,681 4.29,682 4.248,683 4.19,684 4.143,685 5.244,686 0.67,687 339.27,688 3.219,689 4.796,690 5.617,691 6.521,692 7.375,693 8.274,694 9.141,695 10.037,696 10.91,697 11.805,698 8.8,701 1,707 2,715 3,720 3,722 6,741 34,743 8,744 1,745 24,747 35,748 13,749 6,750 3,751 3,752 2,756 2,757 2,763 2,769 2,772 8,773 5,777 2,784 1,785 2,786 1,789 1,790 1,791 6,793 11,794 10,795 1,796 10,802 3,804 1,808 1,809 1,828 1,829 1,840 1,855 1,857 1,859 2,866 6,868 23,875 1,876 3,881 1,882 2,892 6,893 2.9,898 1,901 13.667,902 5.99,903 4.861,904 1.804,907 1.661,908 1.255,909 0.924,910 4.788,911 8.188,912 3.401,913 3.961,914 4.391,915 4.859,916 5.312,917 5.488,918 5.777,919 5.766,920 5.923,921 6.094,922 1,923 33,924 9.995,926 5.711,927 0.026,929 9.138,931 14.557,933 11.681,936 3.638,937 83.667,941 117.711,942 71.197,943 33.157,945 42.806,946 89.761,948 71.197,949 160.517,950 122.918,952 6.317,953 28.429,954 23.146,955 175.28,957 105.94,958 15.519,959 117.711,960 104.354,961 132.566,964 117.711,965 132.566,968 54.993,969 40.313,970 9.047,972 207.472,973 75.963,974 71.197,977 133.23,978 18.202,979 40.6,981 162.599,982 117.711,983 165.724,984 71.197,986 0.603,987 0.316,988 0.153,989 0.091,990 17,991 9,992 0.086,993 3,995 1,996 3.266,997 179.159,999 11,1000 82.532,1005 17.458,1006 6.308,1007 4.309,1009 165.724,1010 1.417,1015 -2.889,1017 42.806,1018 354.632,1019 29,1026 0.977,1027 6.7,1028 0.193,1031 36.894,1032 40.649,1034 0.385,1035 0.708,1036 0.798,1037 0.813,1038 0.829,1039 0.829,1040 4.705,1041 1.128,1042 5.72,1043 3.859,1044 4.29,1045 4.644,1046 3.9,1047 6.621,1048 4.094,1049 5.964,1050 0.846,1051 7.361,1052 2.537,1053 4.369,1054 4.677,1055 4.59,1056 8.032,1057 3.912,1058 7.318,1059 -0.071,1060 9.121,1061 1.473,1062 6.089,1063 6.772,1064 6.153,1065 10.965,1066 5.663,1067 8.703,1068 -0.465,1069 10.949,1070 -0.182,1071 6.878,1072 7.494,1073 7.383,1074 13.067,1075 6.191,1076 10.116,1077 -0.644,1078 12.818,1079 -0.862,1080 8.228,1081 9.189,1082 8.759,1083 15.66,1084 7.527,1085 11.546,1086 -0.85,1087 14.712,1088 -2.059,1089 9.27,1090 10.215,1091 10.082,1092 17.989,1093 8.353,1094 12.99,1095 -1,1096 16.623,1097 -2.215,1098 10.508,1099 11.744,1100 11.429,1101 20.487,1102 9.529,1103 3.399,1104 -1,1105 18.546,1106 -3,1107 11.642,1108 12.926,1109 12.767,1110 22.898,1111 10.489,1112 3.23,1113 11.964,1114 20.477,1115 -3,1116 12.847,1117 14.378,1118 14.11,1119 25.369,1120 11.601,1121 2.894,1122 11.446,1123 22.415,1124 4.053,1125 14.018,1126 15.646,1127 15.451,1128 27.812,1129 12.624,1130 2.379,1131 9.198,1132 24.358,1133 3.425,1134 15.215,1135 17.063,1136 16.793,1137 30.276,1138 13.715,1139 1.686,1140 7.156,1141 26.305,1142 3.396,1143 16.402,1144 18.381,1145 18.134,1146 32.731,1147 14.77,1148 1.476,1149 4.963,1150 28.255,1151 2.957,1152 17.6,1153 19.782,1154 19.476,1155 35.195,1156 15.855,1157 1.285,1158 3.92,1159 30.207,1160 2.093,1161 18.795,1162 21.13,1163 20.818,1164 37.656,1165 16.927,1166 4790,1167 11467,1168 14.504,1169 21.426,1170 37.666,1171 37.437,1172 37.195,1173 36.942,1174 36.645,1175 43.606,1176 22.394,1177 113.031,1178 32.984,1179 5.449,1180 6.482,1181 6.954,1182 5.318,1183 5.399,1184 7.053,1185 5.522,1186 19.271,1187 5.039,1188 15.546,1189 1.569,1190 1.56,1191 1.55,1192 1.539,1193 1.527,1194 1.817,1195 0.933,1196 4.71,1197 1.374,1198 4.003,1199 4.036,1200 3.97,1201 3.914,1202 8.518,1203 3.919,1204 3.805,1205 3.864,1206 3.747,1207 3.604,1208 8.509,1209 3.63,1210 3.431,1211 3.47,1212 3.475,1213 3.113,1214 7.999,1215 3.179,1216 3.311,1217 3.368,1218 3.272,1219 3.077,1220 7.999,1221 3.101,1222 3.238,1223 3.303,1224 3.14,1225 2.982,1226 7.999,1227 2.999,1228 2.88,1229 2.96,1230 2.778,1231 2.494,1232 7.999,1233 2.563,1234 2.571,1235 2.648,1236 2.411,1237 2.257,1238 6.546,1239 2.268,1240 2.508,1241 2.598,1242 2.393,1243 2.217,1244 4.746,1245 2.261,1246 0.19,1247 0.187,1248 0.299,1249 0.178,1250 0.142,1251 4.567,1252 0.169,1253 4.482,1254 0.159,1255 7.183,1256 0.499,1257 4.279,1258 0.127,1259 3.399,1260 4.053,1261 3.825,1262 11.964,1263 3.039,1264 1.941,1265 1.92,1266 2.023,1267 2.04,1268 1.223,1269 2.032,1270 1.504,1271 1.444,1272 1.734,1273 1.751,1274 1.02,1275 1.725,1276 1.461,1277 1.387,1278 1.605,1279 1.694,1280 0.74,1281 1.692,1282 1.179,1283 1.151,1284 1.35,1285 1.532,1286 0.416,1287 1.414,1288 1.136,1289 1.081,1290 1.224,1291 1.418,1292 0.308,1293 1.384,1294 0.758,1295 0.684,1296 1.001,1297 1.191,1298 0.066,1299 1.105,1300 0.539,1301 0.467,1302 0.872,1303 0.957,1305 0.922,1306 0.389,1307 0.314,1308 0.643,1309 0.733,1311 0.735,1312 3.892,1314 5.263,1315 2.398,1316 6.797,1317 4.595,1318 8.406,1319 6.555,1320 10.057,1324 76.729,1327 8.477,1328 0.406,1333 1.426,1334 -9.769,1340 22.766,1341 66.55,1342 122.444,1343 137.954,1344 140.709,1345 143.464,1346 143.464,1347 82.108,1348 6.526,1349 48.19,1350 48.19,1351 11,1352 12.335,1353 3.17,1354 2.585,1355 44.938,1356 71,1357 81,1358 0.315,1359 137.615,1360 262.85,1361 327.542,1362 4742,1363 17.6,1364 17.251,1365 0.75,1366 0.499,1367 12.251,1368 11.487,1369 10.609,1370 0.442,1371 0.265,1372 6.135,1373 9.68,1374 6.135,1375 4.965,1376 8.186,1377 6.362,1378 11.174,1379 0.31,1380 0.134,1381 7.259,1382 4.82,1383 7.366,1384 0.18,1385 0.077,1386 5.388,1387 3.162,1388 5.646,1389 0.113,1390 0.043,1391 4.909,1392 2.165,1393 4.627,1394 0.075,1395 0.022,1396 3.062,1397 1.388,1398 0.478,1399 70.491,1400 0.263,1401 22.101,1402 0.914,1403 120,1404 785.752,1405 160.719,1406 589.717,1407 724.6,1408 538,1409 137,1410 473.801,1411 165.138,1412 437.969,1413 670.5,1414 406,1415 4.071}
{0 CHEMBL1952062,1 1.448,2 7,3 1.915,4 3.668,5 57.259,6 5.979,8 3.547,9 3.701,10 2.9,11 2.948,12 4.569,13 2.891,14 4.106,15 4.358,16 3.079,17 3.29,18 4.899,19 3.177,20 4.358,21 4.657,22 3.098,23 3.409,24 5.077,25 3.253,26 4.32,27 4.615,28 3.02,29 3.358,30 5.103,31 3.188,32 4.284,33 4.592,34 2.897,35 3.247,36 5.047,37 3.083,38 4.2,39 4.5,40 2.667,41 3.097,42 5.045,43 2.927,44 3.999,45 4.309,46 2.343,47 2.904,48 4.785,49 2.688,50 3.77,51 4.116,52 1.877,53 2.553,54 4.5,55 2.295,56 0.091,57 0.451,58 8.422,59 2.828,60 11.338,61 4.419,62 0.144,63 0.651,64 14.225,65 4.213,66 11.464,67 6.964,68 0.225,69 0.72,70 17.753,71 5.275,72 17.195,73 8.598,74 0.258,75 0.676,76 17.151,77 5.002,78 21.195,79 8.284,80 0.184,81 0.602,82 16.483,83 4.371,84 15.375,85 7.483,86 0.246,87 0.499,88 15.253,89 3.923,90 24.7,91 6.519,92 0.163,93 0.402,94 12.122,95 3.438,96 19.022,97 5.602,98 0.134,99 0.277,100 9.413,101 2.437,102 15.278,103 4.159,104 15,105 16,106 0.282,107 0.514,108 0.743,109 0.849,110 0.873,111 0.873,112 2.73,113 1.146,114 -2.58,115 -2.6,116 -2.54,121 30.3,122 1,123 4,127 3,156 1,160 1,172 1,176 3,179 1,180 3,187 2,191 2,192 1,200 1,206 2,209 2,214 1,219 4,227 1,232 2,237 2,239 1,244 2,249 1,251 1,256 1,261 1,274 1,281 216,282 9.759,283 9.759,284 9.759,285 9.759,286 9.759,287 9.154,288 12.206,289 6.455,290 9.999,291 6.869,292 6.869,293 6.869,294 6.869,295 6.869,296 6.148,297 14.94,298 2.942,299 7.218,300 3.597,301 2.409,302 1.235,303 0.69,304 0.568,305 0.568,306 3.353,311 1,312 1,313 189,314 2.646,318 48.738,325 1,326 8.422,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 30.5,338 98,339 4.087,340 3.642,341 6.137,342 3.766,343 2.844,344 3.362,345 1.697,346 9.03,347 2.622,348 3.039,349 3.209,350 4.449,351 2.776,352 1.809,353 2.046,354 1.032,355 4.491,356 1.751,357 2.754,358 2.076,359 3.675,360 2.543,361 1.569,362 1.708,363 0.521,364 3.197,365 1.525,366 2.511,367 1.616,368 3.537,369 2.371,370 1.414,371 1.467,373 2.867,374 1.349,375 2.355,376 1.562,377 3.106,378 1.947,379 1,380 1.271,382 1.76,383 0.944,384 1.728,385 0.933,386 2.798,387 1.701,388 0.721,389 0.724,391 1.23,392 0.706,393 1,394 0.741,395 2,396 0.972,402 0.685,403 0.033,404 2,405 0.555,406 -0.422,407 -0.437,409 -0.684,410 -0.411,411 0.34,412 -0.5,413 1.687,414 0.124,415 -0.844,416 -0.94,418 -1.589,419 -0.815,420 0.17,421 -0.623,422 1.216,423 -0.067,424 -1,425 -1.111,427 -2.129,428 -0.932,429 -0.331,430 -1.176,431 0.749,432 -0.448,433 -1.414,434 -1.471,435 -0.232,436 -2.879,437 -1.354,438 -0.537,439 -1.404,440 0.328,441 -0.82,442 -1.769,443 -1.893,444 -0.4,445 -4.479,446 -1.682,447 -0.881,448 -1.719,449 0.228,450 -0.951,451 -1.907,452 -2.175,453 -0.921,454 -4.738,455 -1.83,456 -0.921,457 -1.79,458 0.09,459 -1.069,460 -2,461 -2.551,462 -1.697,463 -6.076,464 -1.874,474 6.533,475 0.467,476 0.119,477 0.009,478 11.75,479 0.839,480 3,481 0.214,482 8.75,483 0.625,484 12.093,485 0.864,486 17.467,487 0.529,488 6.175,489 0.441,490 2.21,491 0.158,492 4.671,493 0.334,494 0.128,496 0.138,501 0.772,502 1.782,503 1.046,504 1.488,505 0.761,506 1.338,507 0.792,508 1.313,509 1.074,510 1.219,511 0.45,512 1.176,513 0.688,514 0.949,515 0.898,516 0.965,517 0.523,518 0.956,519 0.574,520 1.097,521 0.959,522 1.09,523 0.485,524 1.073,525 0.964,526 1.018,527 0.995,528 1.017,529 0.854,530 0.994,531 1.632,532 0.816,533 1.147,534 0.872,535 1.838,536 0.943,537 1.202,538 0.95,539 1.069,540 1.021,541 1.428,542 1.041,543 1.059,544 0.794,545 0.971,546 0.877,547 1.195,548 0.91,549 1.5,551 1.111,552 0.5,553 0.382,554 0.236,555 0.141,556 0.075,557 0.045,559 1208,560 2712,561 1.919,562 57.6,563 7,564 6,566 1,567 1,569 2,570 2,572 1.508,573 1.826,574 2.846,575 -0.166,579 1,582 47.78,583 1.448,584 2.636,585 3.809,586 4.355,587 4.476,588 4.476,589 2.271,590 3.325,591 3.77,592 2.921,593 265.79,594 6.289,595 2131.92,597 1,600 166.465,601 1.149,602 3.753,603 0.107,605 0.069,606 0.031,607 0.027,608 0.02,609 0.016,610 0.012,611 0.015,613 0.298,614 0.67,615 1,616 2.019,617 53.961,618 0.171,619 -0.298,620 0.032,621 -0.115,622 0.158,623 -0.078,624 -0.028,625 -0.09,626 -0.071,627 -0.109,628 0.039,629 -0.097,630 0.059,631 0.074,632 0.054,633 0.036,634 0.043,635 0.041,636 0.172,637 -0.07,638 -0.009,639 -0.082,640 0.118,641 -0.072,642 -0.068,643 -0.051,644 -0.032,645 -0.08,646 -0.044,647 -0.044,648 -0.245,649 0.061,650 -0.14,651 0.024,652 -0.226,653 -0.035,654 -0.132,655 -0.092,656 -0.121,657 -0.084,658 -0.143,659 -0.103,660 -0.085,661 -0.04,662 -0.053,663 -0.048,664 -0.1,665 -0.044,666 0.838,667 2.47,668 0.429,669 9.143,670 0.991,671 1.152,672 1.35,673 1.821,674 0.593,675 2.708,676 2.833,677 2.996,678 3.135,679 3.219,680 2.996,681 2.833,682 2.565,683 2.197,684 1.792,685 4.241,686 0.545,687 197.32,688 2.708,689 4.111,690 4.875,691 5.666,692 6.463,693 7.27,694 8.079,695 8.892,696 9.705,697 10.521,698 9.1,701 1,707 2,741 33,743 2,745 14,747 33,748 10,752 2,756 1,757 1,763 1,767 1,770 4,772 2,773 8,777 2,784 1,785 2,786 1,790 1,793 19,794 4,795 1,796 4,802 3,804 1,808 1,809 1,829 1,840 1,855 1,857 1,859 1,864 1,868 14,875 1,876 7,881 1,893 3,898 1,901 7.667,902 5.883,903 3.528,904 2.34,907 0.566,908 1.109,909 0.861,910 5.42,911 5.737,912 2.833,913 3.091,914 3.401,915 3.664,916 3.784,917 3.584,918 3.497,919 3.296,920 2.996,921 2.708,922 0.8,923 16,924 5.153,925 0.002,926 1.945,927 0.026,929 7.655,931 10.174,932 0.001,933 7.723,934 0.001,936 2.155,937 30.167,938 0.009,941 211.88,942 36.656,943 33.157,945 42.806,948 36.656,949 254.686,950 33.157,951 8.825,952 16.455,954 23.146,955 75.963,957 200.109,959 211.88,960 69.813,961 42.806,964 164.795,965 89.89,968 58.438,969 2.328,970 9.047,972 211.88,973 75.963,974 36.656,977 211.88,978 18.783,979 20.997,981 72.839,982 211.88,983 75.963,984 36.656,986 0.515,987 0.295,988 0.168,989 0.093,990 5,991 2,992 0.152,993 5,995 1,996 2.67,997 75.081,999 6,1000 53.303,1005 11.348,1006 6.686,1007 3.91,1009 75.963,1017 42.806,1018 324.499,1019 16,1026 1.436,1027 7.353,1028 0.829,1031 32.702,1032 38.026,1034 0.287,1035 0.523,1036 0.755,1037 0.863,1038 0.887,1039 0.887,1040 3.97,1041 -0.422,1042 4.745,1044 3.497,1045 3.761,1046 2.215,1047 5.398,1048 3.391,1049 5.024,1050 -0.844,1051 6.192,1052 -0.684,1053 2.565,1054 2.944,1055 0.325,1056 6.071,1057 2.326,1058 6.225,1059 -1,1060 7.761,1061 -1.589,1062 4.89,1063 5.509,1064 2.973,1065 9.17,1066 4.64,1067 7.466,1068 -1.414,1069 9.41,1070 -2.129,1071 4.949,1072 5.707,1073 0.43,1074 10.813,1075 4.526,1076 8.754,1077 -1.769,1078 11.114,1079 -2.879,1080 6.608,1081 7.6,1082 3.924,1083 13.341,1084 6.184,1085 10.075,1086 -1.907,1087 12.855,1088 -4.479,1089 7.183,1090 8.302,1091 0.529,1092 15.328,1093 6.6,1094 11.42,1095 -2,1096 14.62,1097 -4.738,1098 8.515,1099 9.864,1100 4.945,1101 17.658,1102 7.908,1103 2.844,1105 16.401,1106 -6.076,1107 9.342,1108 10.814,1109 0.62,1110 19.773,1111 8.602,1112 1.809,1113 9.03,1114 18.193,1116 10.52,1117 12.211,1118 5.989,1119 22.027,1120 9.734,1121 1.569,1122 4.491,1123 19.992,1124 3.362,1125 11.465,1126 13.284,1127 0.701,1128 24.192,1129 10.567,1130 1.414,1131 3.197,1132 21.796,1133 2.046,1134 12.572,1135 14.596,1136 7.042,1137 26.416,1138 11.613,1139 1,1140 2.867,1141 23.603,1142 1.708,1143 13.571,1144 15.734,1145 0.775,1146 28.601,1147 12.513,1148 0.721,1149 1.76,1150 25.412,1151 1.467,1152 14.645,1153 17.001,1154 8.099,1155 30.811,1156 13.518,1158 1.23,1159 27.223,1160 1.271,1161 15.669,1162 18.172,1163 0.843,1164 33.005,1165 14.451,1166 1351,1167 2122,1168 9.129,1169 19.563,1170 19.235,1171 20.959,1172 19.975,1173 18.753,1174 18.714,1175 21.158,1176 6.501,1177 45.149,1178 17.795,1179 5.009,1180 5.432,1181 6.046,1182 4.835,1183 4.844,1184 5.914,1185 3.394,1186 15.106,1187 4.496,1188 6.306,1189 1.374,1190 1.497,1191 1.427,1192 1.34,1193 1.337,1194 1.511,1195 0.464,1196 3.225,1197 1.271,1198 3.877,1199 3.946,1200 3.785,1201 3.694,1202 6.546,1203 3.703,1204 3.659,1205 3.731,1206 3.485,1207 3.514,1208 4.702,1209 3.499,1210 3.338,1211 3.403,1212 3.226,1213 3.127,1214 4.176,1215 3.126,1216 3.296,1217 3.389,1218 3.073,1219 3.089,1220 3.993,1221 3.084,1222 2.904,1223 3.019,1224 2.681,1225 2.653,1226 3.846,1227 2.639,1228 2.788,1229 2.883,1230 2.609,1231 2.463,1232 3.576,1233 2.472,1234 2.546,1235 2.655,1236 2.227,1237 2.198,1238 3.321,1239 2.213,1240 2.215,1241 2.36,1242 1.857,1243 1.845,1244 2.912,1245 1.801,1246 0.292,1247 0.26,1248 0.438,1249 0.269,1250 0.203,1251 4.087,1252 0.24,1253 3.642,1254 0.121,1255 6.137,1256 0.645,1257 3.766,1258 0.187,1259 2.844,1260 3.362,1261 1.697,1262 9.03,1263 2.622,1264 1.813,1265 1.747,1266 2.027,1267 2.019,1268 1.345,1269 2.02,1270 1.674,1271 1.605,1272 1.927,1273 1.857,1274 1.217,1275 1.89,1276 1.327,1277 1.24,1278 1.668,1279 1.552,1280 0.906,1281 1.597,1282 1.249,1283 1.184,1284 1.434,1285 1.536,1286 0.53,1287 1.504,1288 0.909,1289 0.797,1290 1.302,1291 1.202,1292 0.442,1293 1.243,1294 0.735,1295 0.622,1296 1.171,1297 1.079,1298 0.327,1299 1.102,1300 0.467,1301 0.368,1302 0.888,1303 0.883,1304 0.043,1305 0.883,1306 0.237,1307 0.085,1308 0.779,1309 0.648,1311 0.711,1312 3.367,1314 4.533,1316 5.916,1318 7.415,1320 8.976,1322 2.195,1327 8.47,1328 7.691,1333 2.193,1340 17.993,1341 47.78,1342 86.978,1343 125.71,1344 143.71,1345 147.71,1346 147.71,1347 20.316,1348 5.17,1349 48.19,1350 48.19,1351 6,1352 11.106,1353 1.585,1354 1.585,1355 27.876,1356 33,1357 40,1358 0.417,1359 117.825,1360 205.71,1361 279.252,1362 825,1364 10.226,1365 0.73,1366 0.63,1367 10.226,1368 8.816,1369 6.881,1370 0.491,1371 0.382,1372 5.275,1373 6.54,1374 5.149,1375 4.356,1376 6.881,1377 5.35,1378 5.089,1379 0.318,1380 0.221,1381 5.089,1382 3.532,1383 3.904,1384 0.205,1385 0.126,1386 3.904,1387 2.389,1388 3.072,1389 0.14,1390 0.074,1391 3.072,1392 1.623,1393 2.303,1394 0.096,1395 0.044,1396 2.303,1397 1.051,1398 0.633,1399 43.623,1400 0.331,1401 14.499,1402 1.184,1403 60,1404 173.085,1405 66.685,1406 165.82,1407 218.07,1408 154,1409 65,1410 155.801,1411 71.991,1412 154.28,1413 215.53,1414 144,1415 4.678}
{0 CHEMBL1952063,1 1.523,2 7.063,3 1.714,4 2.937,5 63.397,6 7.01,7 0.353,8 3.524,9 3.655,10 3.037,11 3.022,12 4.671,13 2.994,14 4.02,15 4.224,16 3.268,17 3.37,18 4.982,19 3.305,20 4.255,21 4.497,22 3.269,23 3.481,24 5.134,25 3.369,26 4.265,27 4.534,28 3.155,29 3.392,30 5.152,31 3.26,32 4.169,33 4.435,34 3.122,35 3.303,36 5.088,37 3.202,38 4.12,39 4.362,40 2.971,41 3.224,42 5.156,43 3.113,44 3.969,45 4.253,46 2.621,47 2.984,48 4.915,49 2.82,50 3.591,51 3.9,52 2.02,53 2.449,54 4.538,55 2.257,56 0.076,57 0.463,58 6.912,59 2.666,60 12.286,61 3.801,62 0.117,63 0.715,64 12.056,65 4.04,66 12.412,67 6.104,68 0.169,69 0.822,70 15.848,71 5.452,72 18.544,73 8.17,74 0.239,75 0.776,76 16.492,77 5.15,78 23.904,79 8.12,80 0.148,81 0.701,82 14.981,83 4.527,84 19.102,85 7.053,86 0.2,87 0.627,88 14.459,89 4.509,90 31.509,91 6.552,92 0.129,93 0.511,94 12.526,95 3.98,96 24.047,97 6.042,98 0.112,99 0.304,100 8.858,101 2.598,102 19.916,103 3.964,104 4,105 21,106 0.292,107 0.634,108 0.788,109 0.835,110 0.852,111 0.852,112 2.852,113 0.954,114 -2.88,115 -2.89,116 -2.79,121 38.7,123 1,127 3,144 5,145 1,156 1,160 1,172 1,176 6,179 1,180 3,187 6,191 2,192 2,200 3,206 3,209 2,214 1,219 5,227 2,232 4,237 2,239 2,244 3,249 2,251 1,256 1,261 2,274 1,281 280,282 11.198,283 11.198,284 11.198,285 11.198,286 11.198,287 9.842,288 14.335,289 7.141,290 11.429,291 8.403,292 8.403,293 8.403,294 8.403,295 8.403,296 6.648,297 19.22,298 3.342,299 8.744,300 3.432,301 1.649,302 0.85,303 0.605,304 0.516,305 0.516,306 3.511,311 1,312 1,313 234,314 2.121,318 100.973,325 0.953,326 8.59,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 34.5,338 113,339 4.124,340 3.643,341 6.166,342 3.816,343 2.884,344 3.496,345 1.697,346 9.166,347 2.696,348 3.849,349 3.255,350 5.321,351 3.422,352 2.436,353 3.304,354 1.077,355 6.884,356 2.392,357 3.029,358 2.661,359 4.365,360 2.623,361 1.668,362 2.15,363 0.626,364 4.239,365 1.592,366 2.852,367 1.938,368 3.653,369 2.489,370 1.51,371 1.876,372 0.146,373 3.141,374 1.478,375 2.575,376 1.594,377 3.552,378 2.273,379 1.313,380 1.503,382 2.896,383 1.256,384 2.5,385 1.48,386 3.247,387 2,388 1,389 1.5,391 2.136,392 1,393 2.354,394 1,395 3.106,396 1.947,397 1,398 1.271,400 1.752,401 0.944,402 1.273,403 0.889,404 2.772,405 1.13,406 0.168,407 0.179,409 0.364,410 0.161,411 0.818,412 0.329,413 2,414 0.647,415 -0.334,416 -0.369,418 -0.639,419 -0.326,420 0.591,421 -0.322,422 1.913,423 0.219,424 -0.75,425 -0.925,427 -1.55,428 -0.724,429 0.5,430 -0.566,431 1.555,433 -1,434 -1.109,436 -2.115,437 -0.932,438 0.171,439 -0.986,440 1.519,441 -0.067,442 -1,443 -1.5,445 -2.347,446 -1,447 0.1,448 -1,449 1.175,450 -0.245,451 -1.212,452 -1.521,454 -3.068,455 -1.165,456 -0.487,457 -1.354,458 0.902,459 -0.819,460 -1.766,461 -2.098,462 -0.26,463 -4.555,464 -1.674,465 -0.5,466 -1.545,467 0.328,468 -0.966,469 -1.917,470 -2.205,471 -0.653,472 -4.789,473 -1.823,474 7.533,475 0.471,476 0.188,477 0.012,478 19.25,479 1.203,480 9,481 0.563,482 10.25,483 0.641,484 10.318,485 0.645,486 17.667,487 0.57,488 11.576,489 0.724,490 4.167,491 0.26,492 3.731,493 0.233,494 0.044,496 0.186,501 0.755,502 1.392,503 0.855,504 1.127,505 0.754,506 1.032,507 0.844,508 1.116,509 1.023,510 1.034,511 0.516,512 1.034,513 0.707,514 1.051,515 1.009,516 1.093,517 0.611,518 1.091,519 0.62,520 1.026,521 0.968,522 1.017,523 0.523,524 1.029,525 0.996,526 0.953,527 0.944,528 0.925,529 0.874,530 0.91,531 1.624,532 0.965,533 1.176,534 0.992,535 1.902,536 1.034,537 1.029,538 0.991,539 1.015,540 1.057,541 1.121,542 1.044,543 1.286,544 0.835,545 1.001,546 0.948,547 1.481,548 0.947,549 2,551 1.111,552 0.563,553 0.613,554 0.215,555 0.14,556 0.092,557 0.033,558 0.016,559 1933,560 5204,561 2.066,562 48.4,564 11,566 1,567 1,570 2,572 1.553,573 2,574 2.88,575 -0.229,577 1,578 1,579 1,582 47.202,583 1.523,584 3.305,585 4.104,586 4.349,587 4.438,588 4.438,589 2.227,590 3.453,591 3.972,592 2.932,593 351.857,594 6.696,595 3079.93,597 1,599 1,600 153.58,601 1.014,602 3.962,603 0.118,605 0.053,606 0.028,607 0.036,608 0.013,609 0.01,610 0.01,611 0.008,612 0.016,613 0.291,614 0.83,615 1,616 1,617 64.515,618 0.146,619 -0.162,620 0.044,621 -0.021,622 0.113,623 -0.015,624 -0.082,625 0.048,626 -0.104,627 -0.029,628 -0.019,629 -0.061,630 0.03,631 -0.018,632 -0.077,633 -0.1,634 -0.019,635 -0.107,636 0.16,637 -0.05,638 -0.014,639 -0.066,640 0.1,641 -0.064,642 -0.081,643 0.026,644 0.028,645 0.018,646 -0.038,647 0.046,648 -0.261,649 -0.043,650 -0.175,651 -0.029,652 -0.277,653 -0.085,654 -0.058,655 -0.134,656 -0.036,657 -0.106,658 -0.014,659 -0.073,660 -0.073,661 -0.074,662 0.024,663 -0.044,664 -0.027,665 -0.001,666 0.905,667 2.564,668 0.75,669 9.438,670 0.998,671 1.135,672 1.649,673 2.72,674 0.646,675 2.89,676 3.091,677 3.296,678 3.497,679 3.664,680 3.466,681 3.466,682 3.434,683 3.296,684 3.091,685 4.34,686 0.611,687 217.3,688 2.89,689 4.344,690 5.142,691 5.964,692 6.783,693 7.614,694 8.441,695 9.275,696 10.105,697 10.94,698 9.7,701 1,707 2,715 5,720 1,722 6,741 31,743 8,744 1,745 17,747 32,748 12,749 6,750 1,751 5,752 2,756 2,757 2,767 1,770 1,772 8,773 4,777 2,784 1,785 2,786 1,790 1,793 15,794 4,795 1,796 4,802 3,804 1,808 1,809 1,829 2,840 1,855 1,857 1,859 2,868 16,875 1,876 4,881 1,893 3.2,898 1,901 8,902 5.3,903 3.778,904 1.826,907 1.581,908 1.273,909 0.92,910 3.808,911 7.374,912 3.135,913 3.57,914 4.003,915 4.414,916 4.791,917 4.573,918 4.779,919 5.025,920 5.182,921 5.191,922 0.8,923 20,924 5.856,926 2.332,927 0.026,929 7.708,931 11.328,933 8.874,936 2.208,937 35.333,938 0.003,941 164.795,942 70.794,943 33.157,945 42.806,948 70.794,949 207.601,950 33.157,952 8.852,953 47.381,954 23.146,955 79.149,957 153.024,959 164.795,960 103.951,961 42.806,964 141.253,965 66.348,968 42.009,969 52.895,970 9.047,972 164.795,973 75.963,974 70.794,977 164.795,978 14.365,979 59.553,981 72.839,982 164.795,983 75.963,984 70.794,986 0.54,987 0.311,988 0.18,989 0.101,990 9,991 3,992 0.094,993 3,995 1,996 2.922,997 100.495,999 12,1000 60,1005 10.993,1006 5.543,1007 2.99,1009 75.963,1010 10.223,1015 1.239,1017 42.806,1018 311.552,1019 22,1026 1.405,1027 7.384,1028 0.762,1031 30.934,1032 35.196,1034 0.307,1035 0.667,1036 0.828,1037 0.878,1038 0.896,1039 0.896,1040 4.297,1041 0.168,1042 5.043,1043 1.752,1044 3.761,1045 4.248,1046 2.273,1047 5.733,1048 3.681,1049 5.422,1050 -0.334,1051 6.512,1052 0.364,1053 2.944,1054 3.481,1055 0.325,1056 6.389,1057 2.787,1058 6.657,1059 -0.75,1060 8.088,1061 -0.639,1062 5.209,1063 6.205,1064 2.998,1065 9.489,1066 5.032,1067 7.926,1068 -1,1069 9.733,1070 -1.55,1071 5.303,1072 6.297,1073 0.537,1074 11.062,1075 5.02,1076 9.23,1077 -1,1078 11.426,1079 -2.115,1080 6.946,1081 8.418,1082 3.935,1083 13.604,1084 6.653,1085 10.557,1086 -1.212,1087 13.15,1088 -2.347,1089 7.507,1090 8.943,1091 0.716,1092 15.541,1093 7.102,1094 11.903,1095 -1.766,1096 14.896,1097 -3.068,1098 8.842,1099 10.748,1100 4.949,1101 17.882,1102 8.419,1103 2.884,1104 -1.917,1105 16.659,1106 -4.555,1107 9.644,1108 11.513,1109 0.876,1110 19.973,1111 9.112,1112 2.436,1113 9.166,1114 18.432,1115 -4.789,1116 10.828,1117 13.134,1118 5.991,1119 22.237,1120 10.265,1121 1.668,1122 6.884,1123 20.215,1124 3.496,1125 11.753,1126 14.043,1127 1.026,1128 24.395,1129 11.09,1130 1.51,1131 4.239,1132 22.003,1133 3.304,1134 12.866,1135 15.551,1136 7.043,1137 26.629,1138 12.158,1139 1.313,1140 3.141,1141 23.797,1142 2.15,1143 13.854,1144 16.553,1145 1.168,1146 28.818,1147 13.053,1148 1,1149 2.896,1150 25.595,1151 1.876,1152 14.933,1153 17.985,1154 8.099,1155 31.04,1156 14.079,1157 1,1158 2.136,1159 27.396,1160 1.503,1161 15.954,1162 19.052,1163 1.307,1164 33.243,1165 15.013,1166 1975,1167 3312,1168 11.614,1169 20.04,1170 24.448,1171 26.068,1172 24.833,1173 23.966,1174 23.957,1175 30.557,1176 7.093,1177 61.153,1178 23.038,1179 5.04,1180 5.643,1181 5.968,1182 4.885,1183 4.884,1184 6.496,1185 3.394,1186 15.396,1187 4.696,1188 4.819,1189 1.438,1190 1.533,1191 1.461,1192 1.41,1193 1.409,1194 1.797,1195 0.417,1196 3.597,1197 1.355,1198 3.948,1199 3.994,1200 3.874,1201 3.863,1202 6.546,1203 3.859,1204 3.782,1205 3.836,1206 3.699,1207 3.617,1208 4.777,1209 3.629,1210 3.338,1211 3.403,1212 3.227,1213 3.113,1214 4.666,1215 3.125,1216 3.186,1217 3.266,1218 3.028,1219 3.015,1220 3.996,1221 3.01,1222 2.854,1223 2.944,1224 2.687,1225 2.735,1226 3.843,1227 2.715,1228 2.846,1229 2.925,1230 2.671,1231 2.599,1232 3.674,1233 2.591,1234 2.687,1235 2.756,1236 2.544,1237 2.365,1238 3.573,1239 2.404,1240 2.366,1241 2.475,1242 2.061,1243 2.052,1244 3.303,1245 2.046,1246 0.243,1247 0.214,1248 0.363,1249 0.224,1250 0.17,1251 4.124,1252 0.206,1253 3.643,1254 0.1,1255 6.166,1256 0.539,1257 3.816,1258 0.159,1259 2.884,1260 3.496,1261 1.697,1262 9.166,1263 2.696,1264 1.922,1265 1.888,1266 2.054,1267 2.043,1268 1.275,1269 2.047,1270 1.743,1271 1.681,1272 1.932,1273 1.917,1274 1.116,1275 1.927,1276 1.266,1277 1.202,1278 1.495,1279 1.538,1280 0.699,1281 1.513,1282 1.172,1283 1.102,1284 1.406,1285 1.401,1286 0.456,1287 1.422,1288 0.886,1289 0.821,1290 1.204,1291 1.122,1292 0.351,1293 1.149,1294 0.828,1295 0.727,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 0.576,1301 0.494,1302 0.911,1303 0.928,1305 0.911,1306 0.34,1307 0.234,1308 0.782,1309 0.708,1311 0.751,1312 3.555,1314 4.779,1316 6.221,1318 7.759,1320 9.343,1327 8.564,1328 3.633,1333 2.124,1340 18.94,1341 47.202,1342 102.461,1343 127.216,1344 134.825,1345 137.58,1346 137.58,1347 18.067,1348 5.793,1349 48.19,1350 48.19,1351 12,1352 11.51,1353 3.17,1354 2.585,1355 25.867,1356 40,1357 40,1358 0.319,1359 120.834,1360 209.13,1361 286.595,1362 2002,1364 11.217,1365 0.701,1366 0.568,1367 11.217,1368 9.081,1369 7.898,1370 0.465,1371 0.318,1372 5.332,1373 7.561,1374 5.226,1375 4.357,1376 7.898,1377 5.407,1378 6.333,1379 0.302,1380 0.178,1381 6.333,1382 3.745,1383 5.087,1384 0.196,1385 0.099,1386 5.087,1387 2.573,1388 4.197,1389 0.131,1390 0.056,1391 4.197,1392 1.808,1393 3.38,1394 0.089,1395 0.033,1396 3.38,1397 1.247,1398 0.482,1399 49.729,1400 0.293,1401 16.225,1402 0.918,1403 76,1404 221.085,1405 82.685,1406 216.664,1407 290.24,1408 202,1409 85,1410 209.801,1411 92.158,1412 212.081,1413 298.17,1414 198,1415 4.553}
{0 CHEMBL1952064,1 1.797,2 7.778,3 3.043,4 9.258,5 73.007,6 9.232,7 0.316,8 3.543,9 3.652,10 3.28,11 3.102,12 4.736,13 3.074,14 4.043,15 4.22,16 3.631,17 3.481,18 5.11,19 3.419,20 4.29,21 4.492,22 3.722,23 3.632,24 5.311,25 3.521,26 4.306,27 4.528,28 3.742,29 3.546,30 5.379,31 3.412,32 4.189,33 4.432,34 3.451,35 3.404,36 5.167,37 3.306,38 4.162,39 4.355,40 3.494,41 3.375,42 5.342,43 3.268,44 4.011,45 4.247,46 3.274,47 3.172,48 5.1,49 3.023,50 3.662,51 3.89,52 3.064,53 2.742,54 4.956,55 2.588,56 0.113,57 0.443,58 4.608,59 2.594,60 12.925,61 3.241,62 0.2,63 0.687,64 10.302,65 4.251,66 14.286,67 5.483,68 0.323,69 0.781,70 18.913,71 6.229,72 28.285,73 7.964,74 0.473,75 0.745,76 25.91,77 6.31,78 38.351,79 8.23,80 0.29,81 0.688,82 16.946,83 5.305,84 28.55,85 7.032,86 0.433,87 0.588,88 19.988,89 5.429,90 46.606,91 6.457,92 0.311,93 0.481,94 18.307,95 5.003,96 33.362,97 6.361,98 0.331,99 0.272,100 16.851,101 3.656,102 36.33,103 4.393,104 12,105 25,106 0.345,107 0.699,108 0.86,109 0.901,110 0.901,111 0.901,112 2.96,113 1.006,114 -3.95,115 -3.9,116 -3.7,121 38.7,123 1,127 3,144 3,145 1,146 2,156 1,160 1,172 1,176 2,179 1,180 3,187 7,191 2,192 1,200 3,206 4,209 2,214 4,219 3,227 1,232 5,237 2,239 3,244 3,249 1,256 1,261 3,264 1,269 1,281 356,282 12.146,283 12.146,284 12.146,285 12.146,286 12.146,287 10.712,288 16.193,289 7.417,290 12.624,291 9.347,292 9.347,293 9.347,294 9.347,295 9.347,296 7.443,297 19.515,298 3.444,299 10.187,300 3.157,301 1.315,302 0.476,303 0.258,304 0.258,305 0.258,306 3.616,308 2,310 1,311 1,312 1,313 287,314 2.345,318 116.485,325 1.049,326 15.523,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 39.167,338 140,339 4.261,340 3.643,341 6.229,342 3.885,343 2.953,344 3.886,345 1.697,346 9.355,347 2.738,348 4.052,349 3.342,350 5.969,351 3.645,352 2.725,353 3.356,354 1.077,355 8.421,356 2.487,357 3.461,358 3.135,359 4.964,360 2.992,361 2.11,362 2.771,363 0.626,364 5.831,365 1.788,366 2.984,367 2.734,368 4.445,369 2.585,370 1.657,371 2.042,372 0.146,373 4.38,374 1.536,375 2.827,376 2.16,377 4.086,378 2.433,379 1.502,380 1.882,382 3.568,383 1.347,384 2.599,385 1.735,386 3.629,387 2.273,388 1.335,389 1.529,391 3.03,392 1.208,393 2.357,394 1.58,395 3.114,396 1.947,397 1,398 1.271,400 1.757,401 0.944,402 1.574,403 0.916,404 2.98,405 1.31,406 0.401,407 0.451,409 0.918,410 0.336,411 1,412 0.771,413 2.359,414 0.834,415 -0.091,416 -0.097,418 -0.174,419 -0.078,420 0.797,421 0.256,422 2.243,423 0.37,424 -0.513,425 -0.62,427 -1.139,428 -0.293,429 0.666,430 0.094,431 2,432 0.267,433 -0.556,434 -0.64,436 -1.243,437 -0.485,438 0.252,439 -0.475,440 1.842,441 -0.066,442 -1,443 -1.077,445 -2.08,446 -0.858,447 0.17,448 -0.598,449 1.418,450 -0.111,451 -1,452 -1.226,454 -2.592,455 -0.932,456 -0.019,457 -1.051,458 1.36,459 -0.506,460 -1.299,461 -1.652,463 -3.616,464 -1.122,465 -0.232,466 -1.177,467 1.109,468 -0.777,469 -1.525,470 -1.928,472 -4.045,473 -1.238,474 8.962,475 0.498,476 0.383,477 0.021,478 20.75,479 1.153,480 9,481 0.5,482 11.75,483 0.653,484 14.2,485 0.789,486 19.838,487 0.64,488 12.947,489 0.719,490 4.328,491 0.24,492 4.374,493 0.243,494 0.197,496 0.268,501 0.67,502 1.38,503 0.534,504 0.856,505 0.679,506 0.866,507 0.761,508 1.087,509 0.637,510 0.759,511 0.482,512 0.844,513 0.852,514 1.027,515 0.934,516 0.968,517 0.722,518 1.02,519 0.711,520 1.046,521 0.926,522 1.042,523 0.652,524 1.079,525 0.853,526 0.943,527 0.645,528 0.766,529 0.806,530 0.823,531 1.4,532 0.99,533 1.139,534 1.08,535 1.712,536 1.09,537 1.053,538 0.989,539 1.031,540 1.04,541 1.158,542 1.032,543 1.276,544 0.845,545 1.458,546 1.242,547 1.337,548 1.075,549 3.5,551 2,552 0.938,553 0.996,554 0.438,555 0.283,556 0.245,557 0.094,558 0.051,559 2555,560 9958,561 1.994,562 41.9,564 9,566 1,567 1,570 2,572 1.589,573 1.862,574 2.974,575 -0.171,577 1,579 1,582 55.7,583 1.797,584 3.64,585 4.478,586 4.696,587 4.696,588 4.696,589 2.377,590 3.725,591 4.142,592 3.052,593 466.88,594 7.042,595 4422.5,596 1,597 1,598 1,599 1,600 153.58,601 1.415,602 4.096,603 0.184,605 0.08,606 0.038,607 0.047,608 0.022,609 0.016,610 0.019,611 0.012,612 0.017,613 0.434,614 0.83,615 1,616 1.126,617 76.068,618 0.042,619 -0.156,620 0.002,621 0.007,622 0.049,623 -0.007,624 -0.087,625 0.085,626 0.019,627 0.107,628 0.036,629 0.046,630 -0.066,631 0.007,632 -0.06,633 -0.023,634 -0.044,635 -0.064,636 0.145,637 -0.068,638 0.041,639 -0.085,640 0.083,641 -0.106,642 -0.073,643 0.055,644 0.08,645 0.133,646 -0.046,647 0.138,648 -0.191,649 -0.071,650 -0.148,651 -0.104,652 -0.292,653 -0.139,654 -0.049,655 -0.13,656 0.005,657 -0.035,658 -0.078,659 -0.013,660 0.1,661 -0.096,662 -0.023,663 -0.146,664 0.163,665 -0.028,666 1.048,667 2.612,668 0.667,669 11.111,670 1.019,671 1.132,672 2.72,673 7.401,674 0.702,675 2.996,676 3.258,677 3.466,678 3.664,679 3.85,680 3.738,681 3.689,682 3.714,683 3.611,684 3.466,685 4.658,686 0.664,687 286.18,688 2.996,689 4.489,690 5.303,691 6.151,692 6.987,693 7.84,694 8.684,695 9.537,696 10.384,697 11.238,698 9.7,701 1,707 2,715 3,720 3,722 6,740 2,741 31,743 8,744 1,745 19,747 32,748 12,749 6,750 3,751 3,752 2,756 2,757 2,758 2,767 1,770 1,772 8,773 4,777 2,784 1,785 2,786 1,789 1,790 1,793 13,794 4,795 1,796 6,797 2,802 3,804 1,808 1,809 1,829 2,840 1,855 1,857 1,859 2,865 2,868 18,875 1,876 4,881 1,892 2,893 3.2,898 1,901 9.667,902 5.419,903 4.139,904 1.793,907 1.638,908 1.271,909 0.924,910 4.72,911 7.693,912 3.219,913 3.726,914 4.178,915 4.604,916 5.014,917 4.977,918 4.994,919 5.269,920 5.451,921 5.508,922 1,923 25,924 6.57,926 2.67,927 0.026,929 7.883,931 12.449,933 9.833,936 2.383,937 42.889,938 0.001,941 141.253,942 58.843,943 33.157,944 78.297,945 42.806,948 58.843,949 262.356,950 33.157,952 8.852,953 28.429,954 23.146,955 86.15,957 129.482,958 78.297,959 141.253,960 92,961 42.806,962 78.297,964 117.711,965 66.348,968 42.009,969 40.943,970 87.345,972 141.253,973 75.963,974 137.14,977 141.253,978 21.366,979 40.6,981 151.136,982 141.253,983 75.963,984 137.14,986 0.562,987 0.325,988 0.178,989 0.1,990 11,991 5,992 0.094,993 3,995 1,996 3.016,997 121.517,999 12,1000 75.059,1005 13.496,1006 6.296,1007 3.531,1009 75.963,1010 5.427,1015 2.226,1017 42.806,1018 354.356,1019 24,1026 1.35,1027 7.344,1028 0.676,1031 31.582,1032 35.084,1034 0.363,1035 0.735,1036 0.904,1037 0.948,1038 0.948,1039 0.948,1040 4.425,1041 0.401,1042 5.263,1043 1.757,1044 3.932,1045 4.407,1046 2.273,1047 6.014,1048 3.759,1049 5.599,1050 -0.091,1051 6.786,1052 0.918,1053 3.434,1054 4.086,1055 0.325,1056 6.804,1057 3.046,1058 6.88,1059 -0.513,1060 8.41,1061 -0.174,1062 5.46,1063 6.474,1064 2.998,1065 9.866,1066 5.137,1067 8.192,1068 -0.556,1069 10.094,1070 -1.139,1071 5.771,1072 6.956,1073 0.537,1074 11.471,1075 5.246,1076 9.536,1077 -1,1078 11.815,1079 -1.243,1080 7.266,1081 8.82,1082 3.935,1083 14.027,1084 6.789,1085 10.9,1086 -1,1087 13.562,1088 -2.08,1089 7.967,1090 9.69,1091 0.716,1092 15.967,1093 7.32,1094 12.28,1095 -1.299,1096 15.325,1097 -2.592,1098 9.226,1099 11.311,1100 4.949,1101 18.328,1102 8.589,1103 2.953,1104 -1.525,1105 17.101,1106 -3.616,1107 10.116,1108 12.386,1109 0.876,1110 20.416,1111 9.341,1112 2.725,1113 9.355,1114 18.887,1115 -4.045,1116 11.267,1117 13.885,1118 5.991,1119 22.696,1120 10.471,1121 2.11,1122 8.421,1123 20.679,1124 3.886,1125 12.247,1126 15.072,1127 1.026,1128 24.852,1129 11.337,1130 1.657,1131 5.831,1132 22.476,1133 3.356,1134 13.35,1135 16.506,1136 7.043,1137 27.097,1138 12.398,1139 1.502,1140 4.38,1141 24.278,1142 2.771,1143 14.375,1144 17.759,1145 1.168,1146 29.286,1147 13.324,1148 1.335,1149 3.568,1150 26.082,1151 2.042,1152 15.457,1153 19.157,1154 8.099,1155 31.517,1156 14.35,1157 1,1158 3.03,1159 27.889,1160 1.882,1161 16.504,1162 20.45,1163 1.307,1164 33.722,1165 15.308,1166 2640,1167 5301,1168 12.425,1169 21.756,1170 28.019,1171 30.182,1172 28.728,1173 27.655,1174 27.369,1175 34.375,1176 7.093,1177 74.519,1178 24.767,1179 5.177,1180 5.643,1181 6.001,1182 4.954,1183 4.953,1184 6.886,1185 3.394,1186 15.803,1187 4.738,1188 8.809,1189 1.475,1190 1.589,1191 1.512,1192 1.456,1193 1.44,1194 1.809,1195 0.373,1196 3.922,1197 1.304,1198 3.957,1199 3.993,1200 4.097,1201 3.892,1202 6.546,1203 3.884,1204 3.787,1205 3.835,1206 3.755,1207 3.622,1208 5.016,1209 3.634,1210 3.338,1211 3.403,1212 3.585,1213 3.115,1214 4.698,1215 3.125,1216 3.195,1217 3.265,1218 3.23,1219 3.049,1220 4.623,1221 3.04,1222 2.88,1223 2.944,1224 3.165,1225 2.797,1226 4.121,1227 2.769,1228 2.849,1229 2.921,1230 2.82,1231 2.623,1232 3.988,1233 2.611,1234 2.705,1235 2.752,1236 2.661,1237 2.41,1238 3.715,1239 2.436,1240 2.394,1241 2.47,1242 2.341,1243 2.095,1244 3.483,1245 2.093,1246 0.224,1247 0.192,1248 0.328,1249 0.204,1250 0.155,1251 4.261,1252 0.205,1253 3.643,1254 0.089,1255 6.229,1256 0.492,1257 3.885,1258 0.144,1259 2.953,1260 3.886,1261 1.697,1262 9.355,1263 2.738,1264 1.912,1265 1.89,1266 2.008,1267 2.032,1268 1.276,1269 2.031,1270 1.741,1271 1.681,1272 1.901,1273 1.895,1274 1.115,1275 1.907,1276 1.265,1277 1.202,1278 1.473,1279 1.538,1280 0.686,1281 1.512,1282 1.165,1283 1.103,1284 1.393,1285 1.385,1286 0.454,1287 1.406,1288 0.868,1289 0.824,1290 1.19,1291 1.116,1292 0.343,1293 1.141,1294 0.822,1295 0.728,1296 1.097,1297 1.017,1298 0.168,1299 1.059,1300 0.555,1301 0.497,1302 0.808,1303 0.898,1305 0.875,1306 0.324,1307 0.237,1308 0.662,1309 0.621,1311 0.66,1312 3.664,1314 4.934,1316 6.412,1318 7.986,1320 9.605,1323 12.002,1327 8.612,1328 3.227,1333 2.026,1340 20.595,1341 55.7,1342 112.825,1343 138.825,1344 145.58,1345 145.58,1346 145.58,1347 27.002,1348 6.054,1349 48.19,1350 48.19,1351 12,1352 11.794,1353 3.17,1354 2.585,1355 30.885,1356 50,1357 48,1358 0.314,1359 137.5,1360 239.55,1361 327.259,1362 2762,1363 6.5,1364 12.958,1365 0.72,1366 0.622,1367 13.958,1368 11.194,1369 8.703,1370 0.458,1371 0.335,1372 5.597,1373 7.765,1374 5.422,1375 4.463,1376 9.28,1377 6.368,1378 7.485,1379 0.299,1380 0.194,1381 8.264,1382 4.839,1383 5.941,1384 0.192,1385 0.107,1386 6.556,1387 3.32,1388 4.813,1389 0.127,1390 0.061,1391 5.493,1392 2.328,1393 3.808,1394 0.083,1395 0.034,1396 4.205,1397 1.58,1398 0.477,1399 60.907,1400 0.284,1401 17.978,1402 0.901,1403 88,1404 289.492,1405 125.723,1406 340.76,1407 433.54,1408 314,1409 100,1410 264.527,1411 128.627,1412 286.076,1413 408.11,1414 267,1415 5.046}
{0 CHEMBL1952065,1 1.921,2 8.333,3 3.599,4 12.949,5 75.344,6 9.549,7 0.24,8 3.756,9 3.862,10 3.471,11 3.165,12 5.102,13 3.232,14 4.348,15 4.512,16 3.997,17 3.528,18 6.41,19 3.599,20 4.482,21 4.668,22 3.897,23 3.682,24 5.89,25 3.702,26 4.658,27 4.889,28 3.885,29 3.646,30 6.058,31 3.682,32 4.514,33 4.702,34 3.985,35 3.558,36 5.967,37 3.65,38 4.75,39 4.975,40 4.08,41 3.462,42 6.893,43 3.561,44 4.262,45 4.461,46 3.659,47 3.325,48 5.662,49 3.38,50 4.393,51 4.605,52 3.776,53 3.066,54 6.214,55 3.26,56 0.452,57 1,58 4.258,59 3.512,60 85.473,61 3.294,62 1.527,63 1.986,64 12.714,65 5.506,66 271.3,67 5.498,68 1.051,69 1.63,70 13.901,71 7.055,72 146.905,73 7.827,74 1.733,75 1.613,76 23.936,77 7.515,78 279.723,79 8.127,80 1.203,81 1.799,82 15.246,83 6.612,84 204.098,85 6.937,86 3.192,87 2.058,88 30.872,89 6.756,90 555.448,91 6.429,92 0.98,93 1.288,94 13.435,95 5.461,96 164.858,97 6.15,98 1.607,99 1.333,100 18.526,101 4.975,102 249.266,103 4.209,104 60,105 37,106 0.354,107 0.666,108 0.776,109 0.789,110 0.803,111 0.803,112 3.229,113 0.823,114 -4.7,115 -4.62,116 -4.34,121 37.8,123 1,127 3,134 2,144 3,145 3,156 1,160 1,172 1,176 6,179 1,180 3,187 6,191 2,192 2,200 3,206 3,209 2,214 1,219 5,227 2,232 4,237 2,239 2,244 3,249 2,251 1,256 1,261 2,274 1,281 812,282 15.038,283 15.038,284 15.038,285 15.038,286 15.038,287 13.813,288 23.245,289 8.738,290 15.771,291 12.335,292 12.335,293 12.335,294 12.335,295 12.335,296 10.552,297 31.939,298 4.098,299 13.647,300 3.288,301 1.595,302 1.001,303 0.926,304 0.852,305 0.852,306 3.881,310 1,311 1,312 1,313 401,314 4.183,318 165.294,325 1.25,326 65.43,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 59.5,338 200,339 4.567,340 4.482,341 7.183,342 4.279,343 3.398,344 4.053,345 3.825,346 11.964,347 3.039,348 4.292,349 4.439,350 7.052,351 4.059,352 3.23,353 3.425,354 3.825,355 11.446,356 2.676,357 4.105,358 3.643,359 6.166,360 3.798,361 2.874,362 3.375,363 1.697,364 9.167,365 2.646,366 3.693,367 3.256,368 5.404,369 3.323,370 2.378,371 2.957,372 1.077,373 7.152,374 2.217,375 3.024,376 2.715,377 4.672,378 2.634,379 1.712,380 2.102,381 0.626,382 4.982,383 1.563,384 2.871,385 2.109,386 4.377,387 2.514,388 1.555,389 1.885,390 0.146,391 4.024,392 1.461,393 2.65,394 1.758,395 4.311,396 2.304,397 1.365,398 1.698,400 3.92,401 1.271,402 2.583,403 1.634,404 3.629,405 2.211,406 1.285,407 1.509,409 3.037,410 1.157,411 2.354,412 1.581,413 3.111,414 1.947,415 1,416 1.271,418 1.753,419 0.944,420 1.274,421 0.891,422 2.925,423 1.131,424 0.168,425 0.179,427 0.38,428 0.161,429 0.837,430 0.51,431 2.861,432 0.652,433 -0.329,434 -0.366,436 -0.676,437 -0.322,438 0.756,439 0.51,440 2.796,441 0.333,442 -0.644,443 -0.852,445 -1.714,446 -0.625,447 0.618,448 0.51,449 2.092,450 0.258,451 -0.709,452 -0.883,454 -2.059,455 -0.684,456 0.171,457 0.51,458 2,459 -0.067,460 -1,461 -1,463 -2.139,464 -0.7,465 0.156,466 0.335,467 2,468 -0.136,469 -1,470 -1,472 -3,473 -0.7,474 10.248,475 0.427,476 0.977,477 0.041,478 24.75,479 1.031,480 9,481 0.375,482 15.75,483 0.656,484 20.831,485 0.868,486 29.352,487 0.793,488 24.043,489 1.002,490 5.526,491 0.23,492 5.583,493 0.233,494 0.2,495 0.098,496 0.234,498 6,501 0.606,502 1.026,503 0.567,504 1.173,505 0.649,506 1.002,507 0.42,508 0.655,509 0.611,510 0.893,511 0.341,512 0.912,513 0.567,514 0.914,515 0.738,516 1.238,517 0.483,518 1.21,519 0.949,520 0.962,521 1.007,522 0.942,523 0.923,524 0.981,525 0.818,526 1.232,527 0.733,528 1.386,529 0.801,530 1.159,531 1.04,532 0.556,533 1.219,534 0.546,535 1.095,536 0.831,537 0.723,538 1.074,539 0.678,540 1.281,541 0.719,542 1.108,543 1.483,544 1.348,545 1.199,546 1.127,547 1.534,548 1,549 8,551 3.111,552 1.813,553 1.671,554 1.312,555 0.63,556 0.575,557 0.362,558 0.229,559 5117,560 26932,561 1.884,562 35.1,564 9,566 1,567 1,570 2,572 1.676,573 1.694,574 3.023,575 -0.136,577 1,579 1,582 71.076,583 1.921,584 3.614,585 4.209,586 4.283,587 4.358,588 4.358,589 2.382,590 3.292,591 4.559,592 3.21,593 886.094,594 7.906,595 10419.5,596 1,597 1,598 1,599 1,600 192.75,601 1.815,602 4.448,603 0.32,605 0.084,606 0.05,607 0.049,608 0.035,609 0.019,610 0.021,611 0.014,612 0.015,613 0.609,614 0.5,615 1,616 1.276,617 112.336,618 -0.026,619 -0.09,621 -0.024,622 -0.073,623 -0.009,624 0.396,625 0.354,626 0.171,627 0.145,628 0.472,629 0.035,630 0.022,631 -0.138,632 0.036,633 -0.208,634 0.077,635 -0.14,636 -0.13,637 -0.121,638 -0.034,639 0.018,640 -0.118,641 0.069,642 -0.074,643 -0.384,644 0.123,645 -0.39,646 -0.068,647 -0.136,648 0.23,649 0.539,650 -0.07,651 0.358,652 0.183,653 0.066,654 -0.01,655 -0.301,656 0.218,657 -0.274,658 -0.023,659 -0.019,660 -0.25,661 -0.23,662 -0.093,663 -0.197,664 -0.282,665 -0.098,666 6.138,667 4.853,668 0.5,669 18.333,670 1.075,671 1.191,672 3.469,673 12.036,674 0.627,675 3.258,676 3.638,677 3.761,678 3.951,679 4.234,680 4.248,681 4.331,682 4.304,683 4.234,684 4.22,685 5.369,686 0.657,687 353.3,688 3.258,689 4.828,690 5.645,691 6.544,692 7.394,693 8.289,694 9.153,695 10.046,696 10.917,697 11.808,698 8.1,701 1,707 2,715 3,720 3,722 6,741 37,743 8,744 1,745 25,747 38,748 14,749 6,750 3,751 3,752 2,756 2,757 2,763 2,767 1,769 2,770 1,772 8,773 6,777 2,784 1,785 2,786 1,789 1,790 1,791 6,793 13,794 10,795 1,796 10,802 3,804 1,808 1,809 1,829 2,840 1,855 1,857 1,859 2,866 6,868 24,875 1,876 4,881 1,882 2,892 6,893 2.7,898 1,901 14.167,902 6.49,903 5.111,904 2.054,907 1.648,908 1.249,909 0.922,910 5.319,911 8.276,912 3.434,913 3.98,914 4.404,915 4.867,916 5.36,917 5.505,918 5.787,919 5.783,920 5.912,921 6.08,922 1,923 36,924 10.39,926 5.868,927 0.026,929 9.049,931 15.373,933 12.348,936 3.549,937 85.167,941 141.253,942 73.731,943 33.157,945 42.806,946 89.761,948 73.731,949 184.059,950 122.918,952 8.852,953 28.429,954 23.146,955 175.28,957 129.482,958 15.519,959 141.253,960 106.889,961 132.566,964 117.711,965 156.109,968 57.528,969 40.313,970 9.047,972 231.014,973 75.963,974 73.731,977 156.772,978 20.736,979 40.6,981 162.599,982 141.253,983 165.724,984 73.731,986 0.598,987 0.314,988 0.153,989 0.097,990 17,991 9,992 0.079,993 3,995 1,996 3.342,997 190.012,999 12,1000 88.529,1005 18.443,1006 6.922,1007 4.801,1009 165.724,1010 1.443,1015 -2.879,1017 42.806,1018 380.708,1019 30,1026 0.997,1027 6.835,1028 0.203,1031 39.778,1032 44.064,1034 0.369,1035 0.694,1036 0.808,1037 0.822,1038 0.837,1039 0.837,1040 4.732,1041 1.285,1042 5.74,1043 3.92,1044 4.317,1045 4.663,1046 3.9,1047 6.632,1048 4.127,1049 5.982,1050 1,1051 7.373,1052 3.037,1053 4.369,1054 4.677,1055 4.59,1056 8.032,1057 3.912,1058 7.331,1059 0.168,1060 9.129,1061 1.753,1062 6.103,1063 6.779,1064 6.153,1065 10.966,1066 5.684,1067 8.71,1068 -0.329,1069 10.953,1070 0.38,1071 6.868,1072 7.482,1073 7.383,1074 13.064,1075 6.177,1076 10.118,1077 -0.644,1078 12.82,1079 -0.676,1080 8.23,1081 9.189,1082 8.759,1083 15.659,1084 7.534,1085 11.545,1086 -0.709,1087 14.712,1088 -1.714,1089 9.259,1090 10.204,1091 10.082,1092 17.987,1093 8.339,1094 12.986,1095 -1,1096 16.622,1097 -2.059,1098 10.504,1099 11.74,1100 11.429,1101 20.486,1102 9.527,1103 3.398,1104 -1,1105 18.545,1106 -2.139,1107 11.633,1108 12.916,1109 12.767,1110 22.897,1111 10.476,1112 3.23,1113 11.964,1114 20.476,1115 -3,1116 12.841,1117 14.372,1118 14.11,1119 25.368,1120 11.595,1121 2.874,1122 11.446,1123 22.414,1124 4.053,1125 14.01,1126 15.638,1127 15.451,1128 27.81,1129 12.613,1130 2.378,1131 9.167,1132 24.357,1133 3.425,1134 15.209,1135 17.057,1136 16.793,1137 30.275,1138 13.706,1139 1.712,1140 7.152,1141 26.303,1142 3.375,1143 16.395,1144 18.374,1145 18.134,1146 32.73,1147 14.759,1148 1.555,1149 4.982,1150 28.253,1151 2.957,1152 17.594,1153 19.776,1154 19.476,1155 35.194,1156 15.846,1157 1.365,1158 4.024,1159 30.205,1160 2.102,1161 18.789,1162 21.124,1163 20.818,1164 37.656,1165 16.918,1166 5351,1167 12452,1168 15.197,1169 23.188,1170 38.824,1171 38.857,1172 38.529,1173 38.316,1174 37.93,1175 44.908,1176 22.394,1177 115.652,1178 34.27,1179 5.483,1180 6.482,1181 6.955,1182 5.348,1183 5.398,1184 7.053,1185 5.522,1186 19.271,1187 5.039,1188 16.021,1189 1.553,1190 1.554,1191 1.541,1192 1.533,1193 1.517,1194 1.796,1195 0.896,1196 4.626,1197 1.371,1198 4.002,1199 4.034,1200 3.968,1201 3.914,1202 8.518,1203 3.919,1204 3.811,1205 3.87,1206 3.74,1207 3.626,1208 8.509,1209 3.643,1210 3.431,1211 3.47,1212 3.475,1213 3.127,1214 7.999,1215 3.179,1216 3.338,1217 3.403,1218 3.28,1219 3.113,1220 7.999,1221 3.133,1222 3.319,1223 3.378,1224 3.219,1225 3.086,1226 7.999,1227 3.112,1228 2.968,1229 3.052,1230 2.868,1231 2.646,1232 7.999,1233 2.672,1234 2.818,1235 2.907,1236 2.665,1237 2.459,1238 6.546,1239 2.51,1240 2.631,1241 2.702,1242 2.494,1243 2.301,1244 4.725,1245 2.352,1246 0.183,1247 0.179,1248 0.287,1249 0.171,1250 0.136,1251 4.567,1252 0.162,1253 4.482,1254 0.153,1255 7.183,1256 0.479,1257 4.279,1258 0.122,1259 3.398,1260 4.053,1261 3.825,1262 11.964,1263 3.039,1264 1.947,1265 1.924,1266 2.04,1267 2.063,1268 1.284,1269 2.055,1270 1.751,1271 1.689,1272 1.927,1273 1.947,1274 1.161,1275 1.939,1276 1.275,1277 1.211,1278 1.494,1279 1.539,1280 0.731,1281 1.517,1282 1.215,1283 1.158,1284 1.407,1285 1.532,1286 0.457,1287 1.459,1288 1.179,1289 1.151,1290 1.224,1291 1.481,1292 0.356,1293 1.414,1294 0.856,1295 0.762,1296 1.206,1297 1.185,1298 0.308,1299 1.175,1300 0.655,1301 0.576,1302 0.924,1303 1.075,1304 0.004,1305 1.021,1306 0.476,1307 0.406,1308 0.783,1309 0.877,1311 0.849,1312 3.932,1314 5.293,1316 6.832,1318 8.449,1320 10.108,1324 77.119,1327 8.568,1328 1.197,1333 1.457,1334 -9.775,1340 24.293,1341 71.076,1342 133.73,1343 155.73,1344 158.485,1345 161.24,1346 161.24,1347 88.635,1348 6.628,1349 48.19,1350 48.19,1351 12,1352 12.34,1353 3.17,1354 2.585,1355 48.023,1356 76,1357 82,1358 0.313,1359 147.208,1360 280.15,1361 350.947,1362 5510,1363 16.2,1364 17.958,1365 0.748,1366 0.508,1367 12.958,1368 12.194,1369 11.109,1370 0.444,1371 0.274,1372 6.635,1373 10.179,1374 6.625,1375 5.38,1376 8.686,1377 6.862,1378 11.528,1379 0.312,1380 0.14,1381 7.612,1382 5.174,1383 7.616,1384 0.181,1385 0.08,1386 5.638,1387 3.378,1388 5.817,1389 0.114,1390 0.046,1391 5.08,1392 2.335,1393 5.164,1394 0.076,1395 0.025,1396 3.599,1397 1.669,1398 0.475,1399 73.491,1400 0.257,1401 22.925,1402 0.907,1403 124,1404 789.752,1405 164.719,1406 593.879,1407 730.36,1408 542,1409 141,1410 477.801,1411 169.11,1412 442.127,1413 676.17,1414 410,1415 4.347}
{0 CHEMBL1952066,1 1.419,2 6.267,3 2.311,4 5.34,5 61.417,6 5.871,8 3.627,9 3.782,10 2.963,11 3.036,12 4.648,13 2.973,14 4.196,15 4.448,16 3.242,17 3.423,18 4.978,19 3.322,20 4.471,21 4.722,22 3.303,23 3.622,24 5.274,25 3.467,26 4.696,27 5.046,28 3.187,29 3.576,30 5.396,31 3.385,32 4.331,33 4.603,34 3.072,35 3.429,36 5.14,37 3.279,38 4.388,39 4.669,40 2.876,41 3.369,42 5.246,43 3.175,44 4.347,45 4.694,46 2.538,47 3.132,48 5.133,49 2.892,50 3.972,51 4.295,52 1.678,53 2.654,54 4.86,55 2.356,56 0.098,57 0.491,58 9.219,59 3.169,60 13.156,61 4.907,62 0.154,63 0.741,64 15.557,65 4.884,66 14.257,67 7.866,68 0.185,69 0.905,70 20.287,71 6.492,72 18.088,73 10.398,74 0.413,75 0.87,76 24.25,77 6.189,78 34.457,79 10.846,80 0.175,81 0.722,82 17.491,83 5.272,84 15.297,85 8.53,86 0.212,87 0.662,88 18.165,89 5.463,90 29.72,91 8.691,92 0.225,93 0.52,94 16.779,95 4.412,96 29.461,97 7.457,98 0.211,99 0.296,100 11.562,101 2.976,102 30.954,103 4.83,104 26,105 20,106 0.27,107 0.512,108 0.728,109 0.814,110 0.814,111 0.814,112 2.794,113 1.111,114 -2.87,115 -2.88,116 -2.78,121 30.6,122 3,123 2,125 1,127 3,156 1,160 1,172 1,176 4,179 1,180 3,187 2,191 2,192 5,206 2,209 2,214 1,219 3,227 3,232 4,237 2,239 3,244 1,249 3,251 2,261 1,281 246,282 9.793,283 9.793,284 9.793,285 9.793,286 9.793,287 9.187,288 12.206,289 6.076,290 10.008,291 7.341,292 7.341,293 7.341,294 7.341,295 7.341,296 6.646,297 14.94,298 2.754,299 7.661,300 3.751,301 2.485,302 1.348,303 0.896,304 0.896,305 0.896,306 3.408,311 1,312 1,313 179,314 3,318 51.716,325 0.951,326 9.713,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 32.5,338 94,339 4.322,340 3.648,341 6.777,342 4.242,343 3.262,344 3.479,345 1.697,346 11.166,347 3.204,348 3.868,349 3.4,350 6.033,351 3.594,352 2.656,353 2.994,354 1.032,355 8.686,356 2.481,357 2.987,358 2.899,359 4.517,360 2.724,361 1.77,362 1.985,363 0.521,364 4.53,365 1.689,366 2.685,367 2.069,368 3.605,369 2.281,370 1.312,371 1.554,373 2.528,374 1.267,375 2.333,376 1.409,377 3.303,378 2.037,379 1.104,380 1.311,382 2.053,383 1.027,384 1.4,385 1.06,386 2.876,387 1.351,388 0.386,389 0.389,391 0.671,392 0.371,393 1.1,394 0.431,395 2.791,396 1.067,397 0.098,398 0.098,400 0.175,401 0.094,402 0.595,403 0.16,404 2.294,405 0.377,406 -0.591,407 -0.601,409 -1.182,410 -0.57,411 0.429,412 -0.442,413 2,414 0.247,415 -0.712,416 -0.846,418 -1.463,419 -0.68,421 -0.863,422 1.857,424 -1,425 -1,427 -2.946,428 -1,430 -1,431 1.594,432 -0.22,433 -1.182,434 -1.255,436 -3,437 -1.131,438 -0.312,439 -1.227,440 1.078,441 -0.428,442 -1.402,443 -1.49,444 -0.232,445 -3.814,446 -1.367,447 -0.629,448 -1.505,449 0.9,450 -0.871,451 -1.819,452 -1.886,453 -0.4,454 -5.123,455 -1.725,456 -0.853,457 -1.683,458 0.235,459 -0.933,460 -1.882,461 -2.175,462 -0.921,463 -5.497,464 -1.789,465 -0.925,466 -1.756,467 0.139,468 -1.069,469 -2,470 -2.557,471 -1.697,472 -6.785,473 -1.872,474 7.033,475 0.469,476 0.412,477 0.027,478 12.25,479 0.817,480 3,481 0.2,482 9.25,483 0.617,484 15.082,485 1.005,486 18.767,487 0.521,488 6.794,489 0.453,490 2.179,491 0.145,492 4.909,493 0.327,494 0.261,495 0.071,496 0.128,501 0.773,502 1.76,503 1.072,504 1.489,505 0.834,506 1.35,507 0.766,508 1.145,509 0.94,510 1.028,511 0.43,512 0.995,513 0.652,514 1.519,515 1.148,516 1.485,517 0.549,518 1.397,519 0.758,520 0.643,521 0.798,522 0.603,523 0.487,524 0.672,525 1.036,526 1.123,527 1.164,528 1.185,529 0.904,530 1.175,531 1.319,532 1.189,533 1.189,534 1.239,535 1.633,536 1.221,537 1.103,538 0.748,539 0.94,540 0.835,541 1.121,542 0.856,543 1.988,544 0.805,545 1.291,546 0.969,547 2.582,548 1.069,549 4,551 1.778,552 1,553 0.924,554 0.458,555 0.304,556 0.059,559 1305,560 2867,561 1.838,562 58.3,563 11,564 6,566 1,567 1,569 2,572 1.536,573 1.682,574 2.684,575 -0.2,577 1,579 1,582 51.07,583 1.419,584 2.685,585 3.822,586 4.274,587 4.274,588 4.274,589 2.149,590 3.59,591 3.87,592 2.795,593 293.448,594 6.518,595 2463.87,597 1,600 186.117,601 1.64,602 3.79,603 0.267,605 0.089,606 0.053,607 0.054,608 0.031,609 0.028,610 0.008,613 0.529,614 0.67,615 1,616 1.805,617 58.42,618 0.178,619 -0.271,620 0.031,621 -0.104,622 0.1,623 -0.072,624 0.001,625 0.088,626 0.08,627 0.102,628 0.071,629 0.103,630 0.058,631 -0.326,632 -0.16,633 -0.338,634 0.009,635 -0.293,636 0.088,637 0.225,638 0.144,639 0.222,640 0.101,641 0.201,642 -0.128,643 -0.005,644 -0.162,645 -0.13,646 -0.08,647 -0.139,648 -0.147,649 -0.223,650 -0.204,651 -0.219,652 -0.192,653 -0.224,654 -0.072,655 0.039,656 -0.007,657 -0.008,658 0.006,659 0.008,660 -0.303,661 -0.112,662 -0.309,663 -0.153,664 -0.357,665 -0.233,666 1.027,667 2.554,668 0.4,669 9.813,670 0.988,671 1.151,672 1.641,673 2.693,674 0.592,675 2.773,676 3.045,677 3.135,678 3.332,679 3.526,680 3.401,681 3.091,682 2.485,683 2.079,684 1.386,685 4.043,686 0.542,687 211.35,688 2.773,689 4.263,690 5.043,691 5.911,692 6.73,693 7.606,694 8.44,695 9.318,696 10.158,697 11.035,698 8.3,701 1,707 2,741 36,743 2,745 15,747 36,748 11,752 2,756 1,757 1,763 3,764 1,766 1,770 2,772 2,773 9,777 2,784 1,785 2,786 1,790 1,793 21,794 4,795 1,796 4,802 3,804 1,808 1,809 1,829 1,840 1,855 1,857 1,859 1,864 3,868 15,875 1,876 5,881 1,882 1,893 2.8,898 1,901 8.917,902 7.133,903 3.528,904 2.34,907 0.562,908 1.105,909 0.839,910 4.429,911 5.894,912 2.89,913 3.258,914 3.497,915 3.829,916 4.078,917 4.094,918 3.85,919 3.258,920 2.944,921 2.398,922 1,923 19,924 5.522,925 -0.001,926 2.125,927 0.026,929 7.661,931 10.85,933 8.449,934 -0.001,936 2.161,937 32.417,938 0.006,941 235.422,942 49.237,943 33.157,945 42.806,948 49.237,949 278.228,950 33.157,951 26.476,952 11.386,954 23.146,955 75.963,957 223.651,959 235.422,960 82.394,961 42.806,964 211.88,965 66.348,968 71.019,969 2.328,970 9.047,972 235.422,973 75.963,974 49.237,977 235.422,978 13.714,979 38.647,981 72.839,982 235.422,983 75.963,984 49.237,986 0.555,987 0.296,988 0.162,989 0.106,990 8,991 4,992 0.111,993 4,995 1,996 2.61,997 88.181,999 6,1000 56.603,1005 12.343,1006 5.382,1007 3.727,1009 75.963,1017 42.806,1018 360.622,1019 17,1026 1.435,1027 7.508,1028 0.81,1031 35.585,1032 41.441,1034 0.274,1035 0.519,1036 0.739,1037 0.827,1038 0.827,1039 0.827,1040 4.127,1041 -0.591,1042 5.081,1043 0.175,1044 3.714,1045 3.932,1046 2.215,1047 5.916,1048 3.63,1049 5.303,1050 -0.712,1051 6.666,1052 -1.182,1053 3.611,1054 3.761,1055 0.325,1056 7.273,1057 3.533,1058 6.609,1059 -1,1060 8.374,1061 -1.463,1062 5.416,1063 5.826,1064 2.973,1065 10.159,1066 5.268,1067 7.947,1068 -1.182,1069 10.153,1070 -2.946,1071 6.089,1072 6.399,1073 0.43,1074 12.21,1075 5.957,1076 9.317,1077 -1.402,1078 11.973,1079 -3,1080 7.468,1081 8.013,1082 3.924,1083 14.742,1084 7.284,1085 10.707,1086 -1.819,1087 13.817,1088 -3.814,1089 8.441,1090 8.912,1091 0.529,1092 17.014,1093 8.267,1094 12.111,1095 -1.882,1096 15.677,1097 -5.123,1098 9.678,1099 10.333,1100 4.945,1101 19.451,1102 9.47,1103 3.262,1104 -2,1105 17.546,1106 -5.497,1107 10.769,1108 11.389,1109 0.62,1110 21.803,1111 10.562,1112 2.656,1113 11.166,1114 19.423,1115 -6.785,1116 11.959,1117 12.717,1118 5.989,1119 24.214,1120 11.729,1121 1.77,1122 8.686,1123 21.305,1124 3.479,1125 13.098,1126 13.856,1127 0.701,1128 26.598,1129 12.862,1130 1.312,1131 4.53,1132 23.191,1133 2.994,1134 14.275,1135 15.139,1136 7.042,1137 29.005,1138 14.022,1139 1.104,1140 2.528,1141 25.08,1142 1.985,1143 15.435,1144 16.322,1145 0.775,1146 31.403,1147 15.171,1148 0.386,1149 2.053,1150 26.972,1151 1.554,1152 16.61,1153 17.583,1154 8.099,1155 33.811,1156 16.33,1157 0.098,1158 0.671,1159 28.867,1160 1.311,1161 17.779,1162 18.791,1163 0.843,1164 36.216,1165 17.487,1166 1490,1167 2297,1168 9.129,1169 21.324,1170 21.589,1171 23.691,1172 22.472,1173 21.154,1174 21.176,1175 23.62,1176 6.501,1177 59.62,1178 20.269,1179 5.248,1180 5.403,1181 6.638,1182 5.311,1183 5.262,1184 6.036,1185 3.394,1186 17.951,1187 5.076,1188 8.833,1189 1.439,1190 1.579,1191 1.498,1192 1.41,1193 1.412,1194 1.575,1195 0.433,1196 3.975,1197 1.351,1198 3.922,1199 3.985,1200 3.835,1201 3.765,1202 6.546,1203 3.771,1204 3.635,1205 3.709,1206 3.451,1207 3.5,1208 4.715,1209 3.478,1210 3.451,1211 3.517,1212 3.349,1213 3.247,1214 4.167,1215 3.263,1216 3.185,1217 3.282,1218 2.984,1219 2.946,1220 4.145,1221 2.936,1222 2.972,1223 3.07,1224 2.799,1225 2.652,1226 3.826,1227 2.665,1228 2.874,1229 3.009,1230 2.513,1231 2.618,1232 3.747,1233 2.57,1234 2.805,1235 2.926,1236 2.499,1237 2.559,1238 3.467,1239 2.533,1240 2.5,1241 2.608,1242 2.223,1243 2.16,1244 3.262,1245 2.152,1246 0.288,1247 0.243,1248 0.452,1249 0.283,1250 0.217,1251 4.322,1252 0.232,1253 3.648,1254 0.113,1255 6.777,1256 0.744,1257 4.242,1258 0.214,1259 3.262,1260 3.479,1261 1.697,1262 11.166,1263 3.204,1264 1.866,1265 1.809,1266 2.053,1267 2.049,1268 1.361,1269 2.051,1270 1.662,1271 1.592,1272 1.943,1273 1.838,1274 1.229,1275 1.878,1276 1.391,1277 1.325,1278 1.625,1279 1.637,1280 0.788,1281 1.631,1282 1.167,1283 1.072,1284 1.476,1285 1.448,1286 0.548,1287 1.465,1288 0.934,1289 0.804,1290 1.417,1291 1.256,1292 0.47,1293 1.308,1294 0.904,1295 0.8,1296 1.27,1297 1.239,1298 0.469,1299 1.262,1300 0.829,1301 0.713,1302 1.238,1303 1.125,1304 0.3,1305 1.174,1306 0.485,1307 0.352,1308 1.004,1309 0.849,1310 0.174,1311 0.9,1312 3.434,1314 4.71,1316 6.188,1318 7.773,1320 9.416,1322 6.594,1327 8.554,1328 5.092,1333 2.201,1334 0.223,1340 19.52,1341 51.07,1342 96.652,1343 137.588,1344 153.853,1345 153.853,1346 153.853,1347 26.607,1348 5.333,1349 48.19,1350 48.19,1351 6,1352 11.581,1353 1.585,1354 1.585,1355 30.907,1356 34,1357 40,1358 0.461,1359 127.417,1360 223.01,1361 302.658,1362 930,1364 11.312,1365 0.754,1366 0.66,1367 11.312,1368 9.902,1369 7.088,1370 0.473,1371 0.37,1372 5.482,1373 6.759,1374 5.198,1375 4.472,1376 7.088,1377 5.557,1378 6.358,1379 0.318,1380 0.243,1381 6.358,1382 4.858,1383 4.261,1384 0.194,1385 0.117,1386 4.261,1387 2.567,1388 3.345,1389 0.124,1390 0.065,1391 3.345,1392 1.759,1393 2.775,1394 0.084,1395 0.039,1396 2.775,1397 1.3,1398 0.682,1399 44.866,1400 0.331,1401 15.1,1402 1.382,1403 70,1404 183.085,1405 76.685,1406 178.28,1407 233.87,1408 164,1409 77,1410 167.801,1411 84.657,1412 171.363,1413 238.65,1414 156,1415 4.032}
{0 CHEMBL1952067,1 1.393,2 7.125,3 2.767,4 7.657,5 66.018,6 5.779,8 3.701,9 3.857,10 3.021,11 3.117,12 4.697,13 3.048,14 4.277,15 4.53,16 3.294,17 3.507,18 5.04,19 3.396,20 4.562,21 4.82,22 3.352,23 3.702,24 5.335,25 3.538,26 4.769,27 5.118,28 3.241,29 3.66,30 5.449,31 3.461,32 4.435,33 4.713,34 3.14,35 3.518,36 5.213,37 3.357,38 4.491,39 4.784,40 2.991,41 3.462,42 5.302,43 3.274,44 4.421,45 4.748,46 2.786,47 3.307,48 5.207,49 3.092,50 4.214,51 4.531,52 2.311,53 3.023,54 5.051,55 2.779,56 0.104,57 0.531,58 10.009,59 3.51,60 13.542,61 5.395,62 0.16,63 0.804,64 16.854,65 5.442,66 14.447,67 8.674,68 0.2,69 0.981,70 22.037,71 7.18,72 19.427,73 11.418,74 0.415,75 0.949,76 25.74,77 6.874,78 34.273,79 11.824,80 0.18,81 0.796,82 19.211,83 5.886,84 16.672,85 9.507,86 0.243,87 0.74,88 19.953,89 5.907,90 29.333,91 9.474,92 0.213,93 0.631,94 18.114,95 5.173,96 27.706,97 8.485,98 0.234,99 0.458,100 14.712,101 4.065,102 30.315,103 6.542,104 27,105 21,106 0.26,107 0.49,108 0.718,109 0.823,110 0.823,111 0.823,112 2.851,113 1.136,114 -3.15,115 -3.15,116 -3.02,121 30.8,122 3,123 3,125 1,127 3,156 1,160 1,172 1,176 5,179 1,180 3,187 3,191 2,192 5,200 1,206 2,209 2,214 1,219 4,227 3,232 4,237 2,239 3,244 2,249 3,251 3,256 1,261 1,264 2,274 1,281 310,282 10.5,283 10.5,284 10.5,285 10.5,286 10.5,287 9.894,288 12.206,289 6.576,290 10.715,291 7.841,292 7.841,293 7.841,294 7.841,295 7.841,296 7.146,297 14.94,298 3.008,299 8.161,300 3.893,301 2.66,302 1.437,303 0.879,304 0.879,305 0.879,306 3.473,311 1,312 1,313 219,314 3.162,318 56.471,325 1.016,326 10.02,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 34.5,338 114,339 4.322,340 3.648,341 6.777,342 4.242,343 3.262,344 3.479,345 1.697,346 11.166,347 3.204,348 3.868,349 3.4,350 6.033,351 3.595,352 2.657,353 2.994,354 1.032,355 8.687,356 2.482,357 2.998,358 2.899,359 4.518,360 2.776,361 1.809,362 1.997,363 0.521,364 4.544,365 1.751,366 2.704,367 2.076,368 3.679,369 2.44,370 1.478,371 1.608,373 2.995,374 1.416,375 2.507,376 1.584,377 3.409,378 2.041,379 1.107,380 1.452,382 2.067,383 1.032,384 1.729,385 1.079,386 3,387 1.701,388 0.721,389 0.724,391 1.258,392 0.706,393 1.241,394 0.76,395 2.81,396 1.189,397 0.228,398 0.229,400 0.424,401 0.218,402 0.75,403 0.241,404 2.545,405 0.711,406 -0.26,407 -0.261,409 -0.484,410 -0.251,411 0.587,412 -0.117,413 2,414 0.319,415 -0.647,416 -0.706,418 -1.183,419 -0.623,420 0.282,421 -0.623,422 2,423 0.122,424 -0.848,425 -0.961,427 -2.041,428 -0.82,430 -0.998,431 1.69,433 -1,434 -1,436 -3,437 -1,438 -0.095,439 -1,440 1.558,441 -0.321,442 -1.282,443 -1.355,445 -3.206,446 -1.229,447 -0.452,448 -1.33,449 0.902,450 -0.517,451 -1.493,452 -1.556,453 -0.232,454 -3.817,455 -1.451,456 -0.629,457 -1.505,458 0.752,459 -0.873,460 -1.821,461 -1.911,462 -0.4,463 -5.123,464 -1.727,465 -0.882,466 -1.72,467 0.235,468 -0.955,469 -1.911,470 -2.175,471 -0.921,472 -5.503,473 -1.833,474 7.533,475 0.471,476 0.412,477 0.026,478 12.75,479 0.797,480 3,481 0.188,482 9.75,483 0.609,484 16.747,485 1.047,486 20.067,487 0.515,488 6.973,489 0.436,490 2.179,491 0.136,492 5.409,493 0.338,494 0.243,495 0.066,496 0.119,501 0.774,502 1.74,503 1.095,504 1.49,505 0.832,506 1.361,507 0.763,508 1.169,509 0.973,510 1.07,511 0.43,512 1.037,513 0.642,514 1.472,515 1.13,516 1.439,517 0.539,518 1.359,519 0.757,520 0.667,521 0.808,522 0.634,523 0.49,524 0.697,525 0.984,526 1.173,527 1.132,528 1.2,529 0.875,530 1.174,531 1.379,532 1.045,533 1.129,534 1.068,535 1.588,536 1.079,537 1.092,538 0.885,539 0.983,540 0.947,541 1.124,542 0.947,543 1.801,544 0.817,545 1.199,546 0.916,547 2.237,548 1.001,549 4,551 1.778,552 1,553 0.924,554 0.458,555 0.304,556 0.137,557 0.045,559 1630,560 3386,561 1.848,562 59,563 13,564 6,566 1,567 1,569 2,572 1.555,573 1.699,574 2.827,575 -0.229,577 1,579 1,582 54.314,583 1.393,584 2.625,585 3.849,586 4.407,587 4.407,588 4.407,589 2.227,590 3.453,591 3.962,592 2.951,593 354.156,594 6.697,595 3127.5,597 1,599 1,600 206.131,601 1.592,602 3.89,603 0.25,605 0.085,606 0.05,607 0.051,608 0.029,609 0.023,610 0.014,611 0.009,613 0.511,614 0.67,615 1,616 2,617 64.652,618 0.183,619 -0.249,620 0.03,621 -0.096,622 0.109,623 -0.067,624 0.005,625 0.066,626 0.058,627 0.069,628 0.071,629 0.071,630 0.067,631 -0.301,632 -0.137,633 -0.303,634 0.019,635 -0.26,636 0.092,637 0.215,638 0.134,639 0.203,640 0.1,641 0.183,642 -0.091,643 -0.072,644 -0.131,645 -0.15,646 -0.063,647 -0.139,648 -0.156,649 -0.091,650 -0.132,651 -0.088,652 -0.174,653 -0.107,654 -0.069,655 -0.007,656 -0.032,657 -0.046,658 -0.002,659 -0.03,660 -0.26,661 -0.022,662 -0.211,663 -0.048,664 -0.28,665 -0.121,666 1.029,667 2.6,668 0.375,669 11.547,670 0.986,671 1.15,672 1.922,673 3.694,674 0.592,675 2.833,676 3.091,677 3.178,678 3.367,679 3.555,680 3.466,681 3.219,682 2.833,683 2.398,684 2.079,685 4.404,686 0.54,687 225.38,688 2.833,689 4.317,690 5.094,691 5.953,692 6.767,693 7.639,694 8.469,695 9.344,696 10.182,697 11.057,698 7.7,701 1,707 2,741 39,743 2,745 16,747 39,748 12,752 2,756 1,757 1,763 3,764 1,766 1,770 3,772 2,773 10,777 2,784 1,785 2,786 1,790 1,793 23,794 4,795 1,796 4,802 3,804 1,808 1,809 1,829 1,840 1,855 1,857 1,859 1,864 3,868 16,875 1,876 6,881 1,882 1,893 2.6,898 1,901 9.417,902 7.633,903 3.778,904 2.59,907 0.553,908 1.101,909 0.843,910 5.1,911 6.004,912 2.944,913 3.296,914 3.526,915 3.85,916 4.094,917 4.127,918 3.932,919 3.497,920 3.178,921 2.944,922 0.8,923 20,924 5.901,926 2.269,927 0.026,929 7.62,931 11.666,933 9.116,936 2.12,937 33.917,938 0.005,941 258.964,942 51.772,943 33.157,945 42.806,948 51.772,949 301.77,950 33.157,951 26.476,952 13.921,954 23.146,955 75.963,957 247.193,959 258.964,960 84.929,961 42.806,964 235.422,965 66.348,968 73.554,969 2.328,970 9.047,972 258.964,973 75.963,974 51.772,977 258.964,978 16.249,979 38.647,981 72.839,982 258.964,983 75.963,984 51.772,986 0.551,987 0.291,988 0.156,989 0.098,990 8,991 4,992 0.128,993 5,995 1,996 2.742,997 95.656,999 6,1000 62,1005 13.338,1006 6.118,1007 4.358,1009 75.963,1017 42.806,1018 386.699,1019 18,1026 1.446,1027 7.554,1028 0.818,1031 38.469,1032 44.856,1034 0.263,1035 0.497,1036 0.728,1037 0.834,1038 0.834,1039 0.834,1040 4.174,1041 -0.26,1042 5.118,1043 0.424,1044 3.761,1045 3.97,1046 2.215,1047 5.938,1048 3.681,1049 5.338,1050 -0.647,1051 6.691,1052 -0.484,1053 3.611,1054 3.761,1055 0.325,1056 7.273,1057 3.533,1058 6.635,1059 -0.848,1060 8.39,1061 -1.183,1062 5.442,1063 5.844,1064 2.973,1065 10.162,1066 5.298,1067 7.965,1068 -1,1069 10.163,1070 -2.041,1071 6.089,1072 6.399,1073 0.43,1074 12.21,1075 5.957,1076 9.33,1077 -1.282,1078 11.979,1079 -3,1080 7.479,1081 8.02,1082 3.924,1083 14.742,1084 7.298,1085 10.716,1086 -1.493,1087 13.821,1088 -3.206,1089 8.441,1090 8.912,1091 0.529,1092 17.014,1093 8.267,1094 12.117,1095 -1.821,1096 15.679,1097 -3.817,1098 9.682,1099 10.335,1100 4.945,1101 19.451,1102 9.475,1103 3.262,1104 -1.911,1105 17.547,1106 -5.123,1107 10.769,1108 11.389,1109 0.62,1110 21.803,1111 10.562,1112 2.657,1113 11.166,1114 19.424,1115 -5.503,1116 11.961,1117 12.718,1118 5.989,1119 24.215,1120 11.731,1121 1.809,1122 8.687,1123 21.305,1124 3.479,1125 13.098,1126 13.856,1127 0.701,1128 26.599,1129 12.862,1130 1.478,1131 4.544,1132 23.191,1133 2.994,1134 14.276,1135 15.139,1136 7.042,1137 29.005,1138 14.022,1139 1.107,1140 2.995,1141 25.08,1142 1.997,1143 15.435,1144 16.322,1145 0.775,1146 31.403,1147 15.171,1148 0.721,1149 2.067,1150 26.972,1151 1.608,1152 16.61,1153 17.583,1154 8.099,1155 33.811,1156 16.33,1157 0.228,1158 1.258,1159 28.867,1160 1.452,1161 17.779,1162 18.791,1163 0.843,1164 36.216,1165 17.487,1166 1835,1167 2746,1168 9.822,1169 23.086,1170 22.99,1171 25.117,1172 23.703,1173 22.493,1174 22.524,1175 24.967,1176 6.501,1177 62.283,1178 21.617,1179 5.254,1180 5.442,1181 6.686,1182 5.311,1183 5.262,1184 6.036,1185 3.394,1186 17.951,1187 5.078,1188 9.352,1189 1.437,1190 1.57,1191 1.481,1192 1.406,1193 1.408,1194 1.56,1195 0.406,1196 3.893,1197 1.351,1198 3.925,1199 3.987,1200 3.836,1201 3.768,1202 6.546,1203 3.773,1204 3.681,1205 3.752,1206 3.502,1207 3.553,1208 4.715,1209 3.531,1210 3.464,1211 3.532,1212 3.357,1213 3.269,1214 4.179,1215 3.28,1216 3.303,1217 3.39,1218 3.106,1219 3.095,1220 4.159,1221 3.084,1222 2.997,1223 3.093,1224 2.826,1225 2.686,1226 3.857,1227 2.689,1228 2.904,1229 3.017,1230 2.661,1231 2.638,1232 3.823,1233 2.635,1234 2.874,1235 3.009,1236 2.499,1237 2.618,1238 3.467,1239 2.57,1240 2.632,1241 2.764,1242 2.277,1243 2.381,1244 3.429,1245 2.337,1246 0.27,1247 0.228,1248 0.424,1249 0.265,1250 0.204,1251 4.322,1252 0.217,1253 3.648,1254 0.106,1255 6.777,1256 0.698,1257 4.242,1258 0.2,1259 3.262,1260 3.479,1261 1.697,1262 11.166,1263 3.204,1264 1.868,1265 1.81,1266 2.056,1267 2.05,1268 1.372,1269 2.053,1270 1.707,1271 1.64,1272 1.975,1273 1.876,1274 1.279,1275 1.914,1276 1.424,1277 1.353,1278 1.705,1279 1.655,1280 0.926,1281 1.668,1282 1.285,1283 1.205,1284 1.53,1285 1.542,1286 0.604,1287 1.549,1288 0.94,1289 0.834,1290 1.417,1291 1.282,1292 0.498,1293 1.308,1294 0.934,1295 0.804,1296 1.31,1297 1.239,1298 0.469,1299 1.289,1300 0.888,1301 0.781,1302 1.259,1303 1.198,1304 0.374,1305 1.23,1306 0.686,1307 0.559,1308 1.162,1309 0.992,1310 0.287,1311 1.059,1312 3.497,1314 4.762,1316 6.229,1318 7.802,1320 9.436,1322 6.636,1327 8.6,1328 6.422,1333 2.221,1334 0.221,1340 21.047,1341 54.314,1342 102.382,1343 150.092,1344 171.866,1345 171.866,1346 171.866,1347 30.303,1348 5.451,1349 48.19,1350 48.19,1351 6,1352 11.605,1353 1.585,1354 1.585,1355 34.352,1356 39,1357 50,1358 0.434,1359 137.009,1360 240.31,1361 326.063,1362 1121,1364 12.019,1365 0.751,1366 0.663,1367 12.019,1368 10.609,1369 7.588,1370 0.474,1371 0.379,1372 5.982,1373 7.259,1374 5.688,1375 4.889,1376 7.588,1377 6.057,1378 6.712,1379 0.32,1380 0.248,1381 6.712,1382 5.212,1383 4.511,1384 0.196,1385 0.122,1386 4.511,1387 2.817,1388 3.535,1389 0.126,1390 0.07,1391 3.535,1392 1.963,1393 2.843,1394 0.084,1395 0.04,1396 2.843,1397 1.356,1398 0.653,1399 47.866,1400 0.319,1401 16.211,1402 1.264,1403 74,1404 187.085,1405 80.685,1406 182.442,1407 239.63,1408 168,1409 81,1410 171.801,1411 88.657,1412 175.524,1413 244.41,1414 160,1415 4.051}
{0 CHEMBL1952289,1 1.523,2 8.042,3 3.279,4 10.754,5 96.362,6 7.676,7 0.231,8 3.83,9 3.933,10 3.413,11 3.406,12 5.02,13 3.388,14 4.333,15 4.496,16 3.801,17 3.783,18 5.577,19 3.756,20 4.544,21 4.696,22 3.931,23 3.955,24 5.726,25 3.916,26 4.723,27 4.93,28 3.941,29 3.988,30 5.893,31 3.929,32 4.716,33 4.927,34 3.871,35 3.958,36 5.907,37 3.892,38 4.59,39 4.762,40 3.726,41 3.874,42 5.801,43 3.798,44 4.627,45 4.853,46 3.571,47 3.731,48 5.825,49 3.642,50 4.443,51 4.663,52 3.176,53 3.448,54 5.678,55 3.346,56 0.038,57 0.572,58 7.836,59 3.864,60 9.703,61 4.746,62 0.199,63 0.932,64 14.824,65 6.201,66 37.426,67 8.151,68 0.159,69 1.156,70 17.921,71 7.613,72 29.344,73 9.697,74 0.373,75 1.32,76 24.129,77 8.939,78 53.125,79 12.098,80 0.443,81 1.266,82 24.652,83 9.001,84 56.848,85 11.924,86 0.213,87 1.091,88 20.291,89 8.513,90 46.335,91 10.634,92 0.328,93 1.086,94 23.635,95 8.448,96 64.704,97 10.985,98 0.447,99 0.853,100 20.543,101 6.674,102 81.736,103 8.108,104 43,105 38,106 0.266,107 0.674,108 0.812,109 0.841,110 0.841,111 0.841,112 3.23,113 0.885,114 -3.25,115 -3.24,116 -3.11,121 45.2,122 2,123 1,126 1,137 3,138 2,140 1,144 3,145 1,146 2,158 2,160 1,170 1,174 1,176 9,177 1,180 7,183 1,185 1,187 9,188 1,191 1,192 10,193 1,197 1,200 6,201 1,205 2,206 7,207 1,209 1,211 1,214 6,215 1,218 2,219 4,222 1,224 1,227 9,228 1,232 6,237 1,239 8,240 3,244 9,249 3,251 7,252 1,256 2,257 1,261 1,264 5,265 1,268 1,269 1,272 1,274 1,277 5,278 2,281 734,282 15.637,283 15.637,284 15.637,285 15.637,286 15.637,287 13.75,288 23.856,289 9.013,290 15.749,291 12.811,292 12.811,293 12.811,294 12.811,295 12.811,296 9.805,297 35.928,298 4.261,299 12.996,300 3.87,301 1.531,302 0.739,303 0.578,304 0.578,305 0.578,306 3.905,310 1,311 1,312 1,313 402,314 3.464,318 139.346,322 152.915,325 1.215,326 29.261,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 52,338 193,339 4.646,340 3.669,341 6.947,342 4.281,343 3.316,344 4.259,345 1.437,346 11.713,347 3.201,348 4.29,349 3.532,350 6.487,351 3.911,352 2.914,353 3.794,354 0.8,355 10.06,356 2.902,357 3.833,358 3.282,359 5.98,360 3.505,361 2.533,362 3.109,363 0.68,364 8.249,365 2.453,366 3.653,367 2.905,368 5.364,369 3.241,370 2.228,371 2.905,372 0.68,373 6.356,374 2.258,375 3.527,376 2.622,377 5.024,378 3.12,379 2.104,380 2.726,381 0.6,382 5.914,383 2.127,384 3.396,385 2.514,386 4.756,387 2.949,388 1.959,389 2.594,391 5.182,392 1.925,393 2.989,394 2.049,395 4.574,396 2.564,397 1.596,398 2.075,400 4.497,401 1.536,402 2.863,403 1.605,404 3.846,405 2.381,406 1.386,407 1.95,409 3.125,410 1.372,411 2.472,412 1.345,413 3.783,414 1.955,415 0.968,416 1.329,418 2.474,419 0.945,420 1.94,421 0.977,422 3.326,423 1.569,424 0.58,425 0.676,427 1.402,428 0.573,429 1.66,430 0.816,431 2.911,432 1.199,433 0.215,434 0.298,436 0.535,437 0.21,438 1.15,439 0.471,440 2.773,441 0.782,442 -0.211,443 -0.273,445 -0.581,446 -0.207,447 0.778,448 0.225,449 2.49,450 0.428,451 -0.571,452 -0.623,454 -1.61,455 -0.567,456 0.758,457 -0.087,458 2.336,459 0.322,460 -0.672,461 -0.874,463 -1.658,464 -0.657,465 0.571,466 -0.32,467 2.135,468 0.217,469 -0.821,470 -1,472 -2,473 -0.846,474 11.3,475 0.471,476 0.792,477 0.033,478 30.5,479 1.271,480 15.5,481 0.646,482 15,483 0.625,484 19.948,485 0.831,486 25.3,487 0.602,488 23.878,489 0.995,490 6.141,491 0.256,492 5.239,493 0.218,494 0.221,496 0.434,501 0.707,502 1.214,503 0.758,504 1.018,505 0.663,506 0.919,507 0.548,508 1.045,509 0.649,510 0.843,511 0.401,512 0.768,513 0.821,514 1.298,515 0.934,516 1.132,517 0.779,518 1.064,519 0.734,520 1.047,521 0.868,522 0.96,523 0.689,524 0.934,525 0.906,526 0.823,527 0.937,528 0.873,529 0.903,530 0.894,531 1.084,532 1.2,533 1.148,534 1.267,535 1.158,536 1.234,537 1.226,538 0.985,539 1.077,540 1.048,541 1.216,542 1.036,543 1.911,544 0.841,545 1.442,546 0.961,547 1.982,548 1.093,549 5.5,550 0.025,551 3.111,552 2,553 2.173,554 1.299,555 0.751,556 0.42,557 0.283,558 0.124,559 5170,560 15087,561 1.991,562 42.9,563 8,564 9,567 1,572 1.678,573 1.8,574 3.018,575 -0.342,576 1,577 1,579 1,582 63.953,583 1.523,584 3.861,585 4.654,586 4.815,587 4.815,588 4.815,589 2.452,590 3.855,591 4.553,592 3.156,593 870.987,594 7.907,595 9828.29,596 1,597 1,599 1,600 226.477,601 1.555,602 4.478,603 0.212,604 0.004,605 0.082,606 0.048,607 0.053,608 0.034,609 0.023,610 0.016,611 0.018,612 0.011,613 0.501,614 0.5,615 1,616 1.372,617 110.849,618 -0.053,619 -0.109,620 0.024,621 0.002,622 -0.089,623 0.019,624 0.144,625 0.038,626 0.218,627 0.145,628 0.195,629 0.189,630 -0.049,631 -0.212,632 -0.073,633 -0.155,634 -0.064,635 -0.131,636 0.101,637 -0.002,638 0.079,639 -0.005,640 0.051,641 0.026,642 0.044,643 0.195,644 0.035,645 0.087,646 0.01,647 0.069,648 -0.117,649 -0.232,650 -0.224,651 -0.267,652 -0.113,653 -0.266,654 -0.119,655 -0.049,656 -0.054,657 -0.081,658 -0.076,659 -0.055,660 -0.378,661 0.071,662 -0.359,663 -0.017,664 -0.328,665 -0.154,666 2.682,667 5.056,668 0.583,669 18.014,670 1.006,671 1.118,672 2.024,673 4.097,674 0.678,675 3.296,676 3.664,677 3.951,678 4.277,679 4.595,680 4.745,681 4.927,682 5.024,683 5.106,684 4.99,685 5.073,686 0.652,687 322.39,688 3.296,689 4.86,690 5.727,691 6.637,692 7.535,693 8.454,694 9.365,695 10.288,696 11.206,697 12.13,698 4.8,704 1,707 1,715 3,720 3,722 6,731 1,736 1,741 42,743 12,744 1,745 26,747 44,748 19,749 6,750 3,751 3,752 7,756 3,757 6,763 2,770 1,772 15,773 4,777 6,782 2,784 3,785 1,786 6,789 1,790 1,793 18,794 5,795 1,796 5,802 2,808 0.333,809 3,829 3,833 2,839 1,841 1,849 4,850 2,857 1,859 1,864 3,868 24,875 1,876 1,881 1,893 7.1,895 1,896 2,901 13.333,902 8.683,903 5.194,904 2.443,907 2.882,908 1.393,909 0.957,910 4.145,911 10.208,912 3.584,913 4.182,914 4.751,915 5.327,916 5.931,917 6.306,918 6.747,919 7.114,920 7.511,921 7.681,922 1,923 42,924 8.892,926 3.831,927 0.026,929 7.979,931 16.6,933 13.531,936 2.479,937 59.5,940 1,941 200.109,942 112.066,943 19.91,945 92.973,948 112.066,949 293.082,950 19.91,951 26.047,952 2.535,953 56.857,954 104.53,955 34.98,957 200.109,959 200.109,960 131.976,961 92.973,964 200.109,965 92.973,968 36.97,969 63.82,970 31.185,972 200.109,973 112.883,974 112.066,977 200.109,978 29.162,979 86.029,981 109.759,982 200.109,983 112.883,984 112.066,986 0.592,987 0.338,988 0.188,989 0.116,990 19,991 10,992 0.068,993 3,994 2,995 1.286,996 3.364,997 204.828,998 0.286,999 14,1000 106.039,1005 16.255,1006 6.121,1007 2.953,1009 112.883,1010 5.035,1015 1.266,1017 42.683,1018 425.058,1019 35,1024 23.564,1026 5.147,1027 4.609,1028 2.224,1031 42.254,1032 46.946,1034 0.282,1035 0.716,1036 0.863,1037 0.893,1038 0.893,1039 0.893,1040 4.856,1041 1.386,1042 5.753,1043 4.497,1044 4.344,1045 4.868,1046 2.158,1047 6.627,1048 4.312,1049 6.101,1050 0.968,1051 7.356,1052 3.125,1053 4.111,1054 4.783,1055 0.325,1056 7.662,1057 4.059,1058 7.437,1059 0.58,1060 9.059,1061 2.474,1062 5.994,1063 7.043,1064 2.407,1065 10.804,1066 5.92,1067 8.804,1068 0.215,1069 10.821,1070 1.402,1071 6.524,1072 7.715,1073 0.268,1074 12.646,1075 6.417,1076 10.199,1077 -0.211,1078 12.62,1079 0.535,1080 7.948,1081 9.5,1082 2.962,1083 15.337,1084 7.819,1085 11.615,1086 -0.571,1087 14.444,1088 -0.581,1089 8.83,1090 10.545,1091 0.188,1092 17.519,1093 8.661,1094 13.048,1095 -0.672,1096 16.288,1097 -1.61,1098 10.086,1099 12.131,1100 3.629,1101 20.05,1102 9.891,1103 3.316,1104 -0.821,1105 18.147,1106 -1.658,1107 11.131,1108 13.369,1109 0.125,1110 22.379,1111 10.895,1112 2.914,1113 11.713,1114 20.017,1115 -2,1116 12.329,1117 14.867,1118 4.332,1119 24.853,1120 12.062,1121 2.533,1122 10.06,1123 21.897,1124 4.259,1125 13.448,1126 16.203,1127 0.082,1128 27.246,1129 13.142,1130 2.228,1131 8.249,1132 23.784,1133 3.794,1134 14.63,1135 17.663,1136 5.048,1137 29.7,1138 14.289,1139 2.104,1140 6.356,1141 25.677,1142 3.109,1143 15.783,1144 19.048,1145 0.054,1146 32.123,1147 15.403,1148 1.959,1149 5.914,1150 27.575,1151 2.905,1152 16.963,1153 20.493,1154 5.769,1155 34.573,1156 16.546,1157 1.596,1158 5.182,1159 29.478,1160 2.726,1161 18.133,1162 21.904,1163 0.035,1164 37.011,1165 17.678,1166 5243,1167 9083,1168 16.531,1169 28.466,1170 40.921,1171 41.53,1172 41.712,1173 39.603,1174 39.6,1175 51.428,1176 8.393,1177 119.013,1178 39.003,1179 5.558,1180 5.669,1181 6.457,1182 5.352,1183 5.316,1184 7.259,1185 2.873,1186 19.435,1187 5.201,1188 14.899,1189 1.574,1190 1.597,1191 1.604,1192 1.523,1193 1.523,1194 1.978,1195 0.323,1196 4.577,1197 1.5,1198 4.058,1199 4.086,1200 4.028,1201 3.964,1202 7.475,1203 3.976,1204 3.815,1205 3.84,1206 3.758,1207 3.745,1208 7.429,1209 3.743,1210 3.662,1211 3.703,1212 3.554,1213 3.562,1214 6.351,1215 3.555,1216 3.38,1217 3.436,1218 3.302,1219 3.177,1220 4.875,1221 3.19,1222 3.22,1223 3.235,1224 3.112,1225 3.001,1226 4.505,1227 3.026,1228 3.147,1229 3.195,1230 3.07,1231 2.957,1232 4.384,1233 2.972,1234 3.001,1235 3.074,1236 2.818,1237 2.764,1238 4.075,1239 2.768,1240 2.874,1241 3.009,1242 2.538,1243 2.618,1244 3.935,1245 2.57,1246 0.179,1247 0.141,1248 0.267,1249 0.165,1250 0.128,1251 4.646,1252 0.164,1253 3.669,1254 0.055,1255 6.947,1256 0.451,1257 4.281,1258 0.123,1259 3.316,1260 4.259,1261 1.437,1262 11.713,1263 3.201,1264 1.993,1265 1.97,1266 2.064,1267 2.104,1268 1.226,1269 2.092,1270 1.81,1271 1.785,1272 1.963,1273 1.911,1274 1.109,1275 1.928,1276 1.659,1277 1.62,1278 1.819,1279 1.791,1280 0.925,1281 1.802,1282 1.328,1283 1.263,1284 1.615,1285 1.571,1286 0.717,1287 1.584,1288 1.127,1289 1.095,1290 1.438,1291 1.394,1292 0.549,1293 1.379,1294 1.094,1295 1.051,1296 1.417,1297 1.345,1298 0.469,1299 1.337,1300 0.934,1301 0.875,1302 1.234,1303 1.239,1304 0.21,1305 1.308,1306 0.934,1307 0.804,1308 1.107,1309 1.186,1310 0.178,1311 1.158,1312 3.97,1314 5.323,1316 6.878,1318 8.542,1320 10.269,1322 5.811,1327 9.427,1328 0.586,1333 1.831,1340 27.402,1341 63.953,1342 162.159,1343 195.458,1344 202.213,1345 202.213,1346 202.213,1347 48.814,1348 7.325,1349 72.19,1350 72.19,1351 18,1352 12.637,1353 3.7,1354 3.322,1355 38.892,1356 73,1357 76,1358 0.275,1359 170.075,1360 313.89,1361 406.744,1362 13171,1364 17.43,1365 0.726,1366 0.576,1367 17.43,1368 13.829,1369 11.38,1370 0.438,1371 0.295,1372 7.585,1373 11.01,1374 7.264,1375 6.095,1376 11.38,1377 7.673,1378 10.897,1379 0.287,1380 0.16,1381 10.897,1382 6.085,1383 8.576,1384 0.168,1385 0.08,1386 8.576,1387 4.064,1388 7.425,1389 0.105,1390 0.04,1391 7.425,1392 2.837,1393 6.496,1394 0.066,1395 0.021,1396 6.496,1397 2.069,1398 0.411,1399 71.042,1400 0.246,1401 22.646,1402 0.824,1403 128,1404 390.911,1405 139,1406 380.277,1407 512.99,1408 352,1409 153,1410 373.289,1411 163.867,1412 382.006,1413 560.44,1414 357,1415 4.301}
{0 CHEMBL195241,1 1.355,2 17.767,3 7.544,4 56.913,5 177.865,6 6.504,7 0.458,8 4.556,9 4.696,10 4.017,11 4.102,12 5.486,13 4.049,14 5.152,15 5.362,16 4.365,17 4.526,18 6.012,19 4.441,20 5.451,21 5.701,22 4.488,23 4.707,24 6.263,25 4.595,26 5.518,27 5.774,28 4.476,29 4.717,30 6.37,31 4.599,32 5.526,33 5.776,34 4.446,35 4.732,36 6.409,37 4.604,38 5.55,39 5.803,40 4.345,41 4.754,42 6.333,43 4.591,44 5.604,45 5.889,46 4.213,47 4.704,48 6.343,49 4.516,50 5.501,51 5.794,52 4.057,53 4.585,54 6.213,55 4.381,56 0.096,57 1.325,58 21.108,59 8.415,60 11.72,61 12.249,62 0.352,63 2.21,64 39.358,65 14.181,66 29.586,67 21.267,68 0.413,69 2.783,70 53.399,71 18.973,72 41.076,73 28.605,74 0.509,75 2.91,76 57.608,77 19.424,78 57.979,79 29.545,80 0.716,81 2.896,82 58.364,83 20.138,84 75.219,85 29.946,86 0.42,87 2.909,88 58.721,89 22.237,90 51.132,91 32.633,92 0.541,93 2.909,94 62.669,95 22.555,96 61.865,97 33.546,98 0.563,99 2.59,100 56.486,101 20.874,102 58.027,103 30.828,104 10,105 66,106 0.201,107 0.489,108 0.681,109 0.804,110 0.846,111 0.866,112 3.787,113 1.022,114 -5.65,115 -5.52,116 -5.15,121 40.4,122 1,123 9,126 1,127 6,144 8,145 5,146 1,148 3,149 1,160 1,176 19,179 1,180 9,183 1,185 5,187 19,191 1,192 12,197 6,200 14,206 8,209 1,211 8,214 14,218 3,219 6,222 2,224 6,227 18,232 6,237 3,239 20,244 6,251 19,255 1,256 6,259 1,260 1,264 18,269 4,277 15,281 3926,282 29.794,283 29.794,284 29.794,285 29.794,286 29.794,287 27.099,288 30.421,289 18.049,290 30.22,291 23.753,292 23.753,293 23.753,294 23.753,295 23.753,296 19.519,297 36.856,298 8.626,299 24.429,300 5.12,301 3.183,302 1.894,303 1.068,304 0.781,305 0.646,306 4.505,313 1704,314 4.243,318 720.119,322 602.286,325 2.456,326 27.889,329 0.5,330 0.5,331 0.67,332 0.9,333 0.5,334 0.67,335 0.5,336 0.6,337 90,338 764,339 4.693,340 3.653,341 6.979,342 4.278,343 3.296,344 4.602,345 1.058,346 11.801,347 3.244,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 4.564,354 0.8,355 11.348,356 3.162,357 3.993,358 3.228,359 6.263,360 3.704,361 2.761,362 3.487,363 0.8,364 9.293,365 2.598,366 3.914,367 2.846,368 5.982,369 3.524,370 2.532,371 3.437,372 0.4,373 8.37,374 2.512,375 3.85,376 2.669,377 5.796,378 3.45,379 2.46,380 3.207,382 7.767,383 2.428,384 3.522,385 2.608,386 5.381,387 3.249,388 2.318,389 2.893,391 6.711,392 2.158,393 3.409,394 2.356,395 5.148,396 3.136,397 2.182,398 2.45,400 6.239,401 2.08,402 3.126,403 2.248,404 4.837,405 2.896,406 1.914,407 2.289,409 5.081,410 1.88,411 2.943,412 1.932,413 4.572,414 2.76,415 1.786,416 2.142,418 4.495,419 1.729,420 2.94,421 1.763,422 4.116,423 2.566,424 1.61,425 2.121,427 3.789,428 1.538,429 2.877,430 1.717,431 3.983,432 2.518,433 1.534,434 1.887,436 3.39,437 1.506,438 2.807,439 1.572,440 3.861,441 2.469,442 1.476,443 1.863,445 3.329,446 1.461,447 2.638,448 1.449,449 3.776,450 2.391,451 1.395,452 1.666,454 3.111,455 1.388,456 2.538,457 1.433,458 3.656,459 2.345,460 1.347,461 1.538,463 3.003,464 1.343,465 2.485,466 1.35,467 3.615,468 2.242,469 1.247,470 1.483,472 2.902,473 1.24,474 20.733,475 0.482,476 0.833,477 0.019,478 50.25,479 1.169,480 22.5,481 0.523,482 27.75,483 0.645,484 48.772,485 1.134,486 47.067,487 0.529,488 38.81,489 0.903,490 9.042,491 0.21,492 12.055,493 0.28,494 0.064,496 0.304,501 0.841,502 1.403,503 0.923,504 1.158,505 0.608,506 1.062,507 0.982,508 1.13,509 0.981,510 1.007,511 0.583,512 0.988,513 0.992,514 1.084,515 0.914,516 0.968,517 0.803,518 0.936,519 1.281,520 1.073,521 1.01,522 0.985,523 1.193,524 0.97,525 1.393,526 0.94,527 1.112,528 0.98,529 1.6,530 1.017,531 1.067,532 1.146,533 1.14,534 1.192,535 1.25,536 1.18,537 1.228,538 0.972,539 1.101,540 1.033,541 1.476,542 1.057,543 0.991,544 0.916,545 1.063,546 1.025,547 1.285,548 1.053,549 5.5,550 0.153,551 4.444,552 3,553 2.96,554 1.486,555 0.865,556 0.438,557 0.393,558 0.224,559 40168,560 77991,561 2.154,562 51.7,563 15,564 23,567 2,568 2,569 4,572 1.81,573 2.064,574 3.983,575 0.045,582 120.629,583 1.355,584 3.293,585 4.581,586 5.408,587 5.695,588 5.83,589 3.424,590 4.915,591 5.407,592 4.275,593 3860.34,594 9.516,595 78011,600 576.34,601 1.211,602 5.379,603 0.115,604 0.004,605 0.067,606 0.041,607 0.042,608 0.022,609 0.015,610 0.009,611 0.009,612 0.006,613 0.331,614 0.17,615 0.5,616 0.394,617 254.99,618 0.018,619 -0.155,620 0.071,621 -0.029,622 0.028,623 0.016,624 0.043,625 0.021,626 0.026,627 0.026,628 0.098,629 0.026,630 0.02,631 -0.029,632 0.084,633 0.033,634 0.055,635 0.06,636 -0.049,637 -0.026,638 0.006,639 -0.011,640 0.017,641 0.002,642 -0.001,643 0.104,644 -0.088,645 -0.001,646 -0.025,647 -0.044,648 -0.086,649 -0.145,650 -0.157,651 -0.171,652 -0.099,653 -0.17,654 -0.126,655 -0.025,656 -0.11,657 -0.056,658 -0.155,659 -0.078,660 0.009,661 0.01,662 -0.081,663 -0.045,664 -0.095,665 -0.069,666 1.649,667 6.492,668 0.698,669 53.97,670 0.984,671 1.129,672 4.422,673 19.556,674 0.649,675 3.892,676 4.205,677 4.522,678 4.828,679 5.118,680 5.198,681 5.338,682 5.438,683 5.497,684 5.398,685 10.722,686 0.6,687 578.88,688 3.892,689 5.434,690 6.297,691 7.182,692 8.067,693 8.964,694 9.86,695 10.763,696 11.665,697 12.571,698 6.7,701 1,703 1,704 1,705 1,708 2,714 4,715 8,716 2,720 6,722 22,729 1,734 1,736 1,741 89,743 23,744 2,745 48,747 94,748 36,749 18,750 4,751 8,752 1,756 6,757 10,763 1,767 4,770 9,772 19,773 17,777 1,782 1,786 1,793 46,794 7,795 2,796 7,802 6,808 0.5,809 1,822 2,829 6,833 3,855 1,859 3,864 2,868 43,876 15,877 2,881 2,893 1.1,896 1,901 20.833,902 16.383,903 9.528,904 6.079,907 4.547,908 1.505,909 1.005,910 9.753,911 13.549,912 4.111,913 4.7,914 5.338,915 5.977,916 6.597,917 6.938,918 7.337,919 7.681,920 7.965,921 7.847,922 1,923 73,924 16.039,926 6.798,927 0.026,929 7.426,931 32.051,933 27.188,936 1.926,937 82.833,941 517.928,942 160.014,943 75.841,945 25.145,948 160.014,949 543.073,950 75.841,951 17.222,952 53.456,953 75.81,954 81.431,955 30.753,956 2.328,957 517.928,959 517.928,960 235.855,961 25.145,964 470.844,965 72.229,968 72.45,969 111.823,970 51.582,972 517.928,973 100.986,974 160.014,977 517.928,978 66.982,979 99.28,980 36.022,981 58.716,982 517.928,983 100.986,984 160.014,986 0.572,987 0.341,988 0.197,989 0.115,990 31,991 13,992 0.117,993 11,994 3,995 1.2,996 5.376,997 434.031,998 0.2,999 30,1000 229.329,1005 29.846,1006 14.052,1007 6.813,1008 4.192,1009 100.986,1010 16.593,1011 9.951,1015 6.755,1017 36.022,1018 778.928,1019 60,1024 13.492,1028 0.017,1031 87.61,1032 100.503,1034 0.209,1035 0.508,1036 0.707,1037 0.835,1038 0.879,1039 0.9,1040 5.354,1041 1.914,1042 6.263,1043 6.239,1044 4.89,1045 5.389,1046 1.701,1047 7.093,1048 4.836,1049 6.537,1050 1.786,1051 7.825,1052 5.081,1053 4.369,1054 5.231,1055 0.57,1056 8.05,1057 4.286,1058 7.844,1059 1.61,1060 9.498,1061 4.495,1062 6.482,1063 7.632,1064 1.5,1065 11.224,1066 6.376,1067 9.193,1068 1.534,1069 11.24,1070 3.789,1071 6.858,1072 8.391,1073 0.479,1074 13.07,1075 6.731,1076 10.586,1077 1.476,1078 13.028,1079 3.39,1080 8.39,1081 10.256,1082 1.472,1083 15.758,1084 8.243,1085 12.008,1086 1.395,1087 14.848,1088 3.329,1089 9.197,1090 11.431,1091 0.346,1092 17.954,1093 9.035,1094 13.453,1095 1.347,1096 16.691,1097 3.111,1098 10.5,1099 13.087,1100 1.501,1101 20.483,1102 10.319,1103 3.296,1104 1.247,1105 18.55,1106 3.003,1107 11.51,1108 14.453,1109 0.237,1110 22.825,1111 11.316,1112 3.226,1113 11.801,1114 20.421,1115 2.902,1116 12.724,1117 16.026,1118 1.556,1119 25.3,1120 12.513,1121 2.761,1122 11.348,1123 22.303,1124 4.602,1125 13.827,1126 17.478,1127 0.158,1128 27.702,1129 13.602,1130 2.532,1131 9.293,1132 24.192,1133 4.564,1134 15.011,1135 19.018,1136 1.626,1137 30.16,1138 14.771,1139 2.46,1140 8.37,1141 26.088,1142 3.487,1143 16.155,1144 20.508,1145 0.104,1146 32.59,1147 15.901,1148 2.318,1149 7.767,1150 27.989,1151 3.437,1152 17.332,1153 22.037,1154 1.706,1155 35.043,1156 17.063,1157 2.182,1158 6.711,1159 29.894,1160 3.207,1161 18.495,1162 23.544,1163 0.068,1164 37.486,1165 18.211,1166 36575,1167 51162,1168 32.997,1169 57.717,1170 70.861,1171 72.239,1172 73.111,1173 70.778,1174 70.738,1175 88.797,1176 6.117,1177 201.165,1178 68.846,1179 5.693,1180 5.653,1181 6.888,1182 5.346,1183 5.296,1184 7.602,1185 2.117,1186 19.421,1187 5.244,1188 16.032,1189 1.476,1190 1.505,1191 1.523,1192 1.475,1193 1.474,1194 1.85,1195 0.127,1196 4.191,1197 1.434,1198 4.135,1199 4.167,1200 4.095,1201 4.057,1202 7.429,1203 4.063,1204 4.084,1205 4.112,1206 4.052,1207 4.013,1208 4.984,1209 4.019,1210 3.806,1211 3.879,1212 3.693,1213 3.658,1214 4.947,1215 3.645,1216 3.775,1217 3.842,1218 3.628,1219 3.641,1220 4.453,1221 3.63,1222 3.732,1223 3.781,1224 3.611,1225 3.615,1226 4.413,1227 3.617,1228 3.61,1229 3.675,1230 3.501,1231 3.458,1232 4.277,1233 3.46,1234 3.516,1235 3.575,1236 3.383,1237 3.378,1238 4.272,1239 3.367,1240 3.361,1241 3.436,1242 3.244,1243 3.177,1244 4.183,1245 3.176,1246 0.098,1247 0.076,1248 0.145,1249 0.089,1250 0.069,1251 4.693,1252 0.096,1253 3.653,1254 0.022,1255 6.979,1256 0.246,1257 4.278,1258 0.068,1259 3.296,1260 4.602,1261 1.058,1262 11.801,1263 3.244,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.437,1269 2.163,1270 2.056,1271 2.034,1272 2.124,1273 2.151,1274 1.387,1275 2.143,1276 1.782,1277 1.72,1278 2.03,1279 1.978,1280 1.32,1281 1.986,1282 1.761,1283 1.708,1284 1.969,1285 1.947,1286 1.222,1287 1.975,1288 1.754,1289 1.691,1290 1.949,1291 1.872,1292 1.169,1293 1.902,1294 1.589,1295 1.53,1296 1.838,1297 1.795,1298 1.121,1299 1.811,1300 1.519,1301 1.461,1302 1.736,1303 1.675,1304 0.845,1305 1.696,1306 1.324,1307 1.256,1308 1.583,1309 1.567,1310 0.825,1311 1.575,1312 4.575,1314 5.889,1316 7.416,1318 9.053,1320 10.753,1322 4.213,1328 15.928,1329 7.02,1333 4.672,1340 53.379,1341 120.629,1342 293.062,1343 407.753,1344 481.321,1345 506.831,1346 518.831,1347 73.44,1348 9.003,1349 73.39,1350 73.39,1351 36,1352 13.09,1353 4.585,1354 3.7,1355 64.5,1356 290,1357 226,1358 0.105,1359 324.295,1360 559.35,1361 783.04,1362 158723,1364 29.597,1365 0.688,1366 0.603,1367 29.597,1368 25.923,1369 21.097,1370 0.44,1371 0.341,1372 16.204,1373 20.562,1374 15.802,1375 13.111,1376 21.097,1377 16.353,1378 18.41,1379 0.279,1380 0.187,1381 18.41,1382 12.33,1383 15.981,1384 0.176,1385 0.102,1386 15.981,1387 9.25,1388 13.794,1389 0.111,1390 0.055,1391 13.794,1392 6.772,1393 11.851,1394 0.071,1395 0.03,1396 11.851,1397 5.058,1398 0.175,1399 130.158,1400 0.174,1401 39.086,1402 0.264,1403 228,1404 508.982,1405 241.982,1406 504.187,1407 715.3,1408 478,1409 271,1410 544.228,1411 286.704,1412 555.683,1413 823.53,1414 527,1415 8.387}
{0 CHEMBL195418,1 1.432,2 15.784,3 7.759,4 60.204,5 152.939,6 7.155,7 0.537,8 4.346,9 4.473,10 3.883,11 3.946,12 5.329,13 3.891,14 4.917,15 5.104,16 4.249,17 4.359,18 5.857,19 4.272,20 5.221,21 5.463,22 4.38,23 4.516,24 6.094,25 4.406,26 5.249,27 5.485,28 4.361,29 4.502,30 6.194,31 4.389,32 5.247,33 5.477,34 4.321,35 4.485,36 6.251,37 4.359,38 5.265,39 5.52,40 4.051,41 4.468,42 6.061,43 4.283,44 5.263,45 5.554,46 3.832,47 4.376,48 5.946,49 4.156,50 5.128,51 5.429,52 3.719,53 4.231,54 5.792,55 4.014,56 0.059,57 1.014,58 15.572,59 6.864,60 8.216,61 9.515,62 0.236,63 1.695,64 30.185,65 12.024,66 25.317,67 17.049,68 0.277,69 2.174,70 43.487,71 16.107,72 35.946,73 23.009,74 0.422,75 2.21,76 47.771,77 15.815,78 52.133,79 22.36,80 0.632,81 2.16,82 47.689,83 15.844,84 81.304,85 22.169,86 0.365,87 2.133,88 48.241,89 17.727,90 49.488,91 24.895,92 0.361,93 2.061,94 49.001,95 18.038,96 46.271,97 25.702,98 0.337,99 1.799,100 42.679,101 15.744,102 39.261,103 22.52,104 10,105 56,106 0.222,107 0.526,108 0.687,109 0.804,110 0.859,111 0.885,112 3.641,113 1.023,114 -5.64,115 -5.51,116 -5.14,121 43.1,122 1,123 9,127 2,144 8,145 5,146 1,148 3,149 1,160 1,176 19,180 9,183 1,185 5,187 20,192 10,197 6,200 16,206 6,209 1,211 8,214 16,218 1,219 4,222 1,224 7,227 20,232 3,237 3,239 21,244 3,251 20,256 3,260 1,264 19,269 2,277 16,281 2508,282 25.57,283 25.57,284 25.57,285 25.57,286 25.57,287 22.799,288 20.402,289 15.559,290 25.898,291 20.282,292 20.282,293 20.282,294 20.282,295 20.282,296 16.009,297 20.17,298 7.419,299 20.859,300 4.738,301 2.774,302 1.734,303 0.976,304 0.622,305 0.455,306 4.352,309 1,313 1294,314 4.123,318 498.719,322 507.12,325 2.172,326 27.565,329 0.5,330 0.67,331 0.67,332 0.7,333 0.5,334 0.83,335 1,336 0.7,337 77.333,338 584,339 4.671,340 3.655,341 6.924,342 4.235,343 3.253,344 4.592,345 1.058,346 11.576,347 3.197,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 4.564,354 0.4,355 11.348,356 3.162,357 3.914,358 3.163,359 5.982,360 3.524,361 2.532,362 3.437,364 8.37,365 2.512,366 3.892,367 2.669,368 5.864,369 3.455,370 2.466,371 3.429,373 7.883,374 2.434,375 3.709,376 2.666,377 5.58,378 3.268,379 2.354,380 3.082,382 7.05,383 2.114,384 3.522,385 2.356,386 5.381,387 3.136,388 2.182,389 2.893,391 6.711,392 2.079,393 3.113,394 2.1,395 4.64,396 2.879,397 1.892,398 2.289,400 4.651,401 1.864,402 2.941,403 1.93,404 4.116,405 2.672,406 1.707,407 2.142,409 3.789,410 1.63,411 2.912,412 1.76,413 3.984,414 2.523,415 1.537,416 2.102,418 3.391,419 1.513,420 2.874,421 1.572,422 3.879,423 2.47,424 1.476,425 1.886,427 3.329,428 1.463,429 2.639,430 1.449,431 3.808,432 2.403,433 1.408,434 1.668,436 3.118,437 1.398,438 2.543,439 1.44,440 3.658,441 2.345,442 1.347,443 1.547,445 3.005,446 1.343,447 2.486,448 1.35,449 3.616,450 2.242,451 1.247,452 1.485,454 2.902,455 1.24,456 2.423,457 1.347,458 3.594,459 2.105,460 1.133,461 1.386,463 2.649,464 1.096,465 2.181,466 1.344,467 3.466,468 1.937,469 1,470 1.151,472 2.382,473 0.893,474 18.148,475 0.49,476 0.713,477 0.019,478 45,479 1.216,480 22,481 0.595,482 23,483 0.622,484 38.77,485 1.048,486 39.452,487 0.548,488 32.068,489 0.867,490 8.026,491 0.217,492 10.105,493 0.273,494 0.085,496 0.303,501 0.707,502 1.211,503 0.738,504 0.997,505 0.567,506 0.959,507 0.617,508 1.187,509 0.779,510 1.041,511 0.516,512 1.012,513 0.842,514 1.068,515 0.722,516 0.881,517 0.743,518 0.858,519 1.353,520 1.057,521 1.058,522 0.976,523 1.228,524 0.966,525 1.38,526 0.999,527 1.065,528 1.022,529 1.518,530 1.057,531 1.059,532 1.058,533 1.134,534 1.146,535 1.106,536 1.176,537 0.809,538 0.943,539 0.996,540 1.04,541 0.848,542 1.065,543 0.71,544 0.847,545 0.894,546 0.947,547 0.736,548 0.975,549 4.5,550 0.12,551 3.778,552 2.75,553 2.578,554 0.931,555 0.582,556 0.28,557 0.213,558 0.168,559 26775,560 60962,561 2.133,562 48.6,563 15,564 12,567 2,568 2,569 4,572 1.771,573 2.037,574 3.805,575 0.082,582 103.13,583 1.432,584 3.396,585 4.436,586 5.194,587 5.548,588 5.715,589 3.046,590 4.615,591 5.193,592 4.101,593 2731.5,594 9.072,595 50313.2,600 444.235,601 1.241,602 5.159,603 0.11,604 0.004,605 0.067,606 0.044,607 0.044,608 0.018,609 0.015,610 0.009,611 0.007,612 0.006,613 0.325,614 0.17,615 0.63,616 0.435,617 210.587,618 -0.018,619 -0.037,620 0.033,621 0.022,622 0.01,623 0.038,624 0.143,625 -0.09,626 0.043,627 -0.047,628 0.125,629 -0.024,630 0.041,631 -0.043,632 0.154,633 0.089,634 0.072,635 0.121,636 -0.084,637 -0.009,638 -0.029,639 -0.017,640 -0.012,641 -0.012,642 0.023,643 0.037,644 -0.075,645 -0.064,646 0.051,647 -0.108,648 -0.129,649 -0.094,650 -0.175,651 -0.154,652 -0.118,653 -0.183,654 -0.051,655 -0.032,656 -0.07,657 -0.054,658 -0.074,659 -0.062,660 0.015,661 0.059,662 0.012,663 0.033,664 -0.024,665 0.027,666 1.741,667 5.926,668 0.649,669 39.045,670 0.989,671 1.122,672 4.413,673 19.471,674 0.674,675 3.738,676 4.043,677 4.357,678 4.654,679 4.92,680 4.949,681 5.037,682 5.088,683 5.1,684 4.92,685 9.855,686 0.626,687 515.15,688 3.738,689 5.273,690 6.133,691 7.015,692 7.898,693 8.79,694 9.683,695 10.58,696 11.477,697 12.377,698 5.6,703 1,705 1,708 2,714 4,715 8,716 2,720 6,722 22,729 1,734 1,740 1,741 72,743 23,744 2,745 41,747 76,748 31,749 18,750 4,751 8,752 1,756 5,757 9,758 1,763 1,767 4,770 9,772 19,773 12,777 1,782 1,786 1,793 35,794 5,795 2,796 6,797 1,802 4,808 0.4,809 1,822 2,829 5,833 3,859 2,864 1,865 1,868 37,876 11,877 2,892 1,893 1.4,896 1,901 18.167,902 13.126,903 8.25,904 4.965,907 4.479,908 1.53,909 1.007,910 8.457,911 12.936,912 3.989,913 4.605,914 5.257,915 5.903,916 6.519,917 6.818,918 7.179,919 7.493,920 7.753,921 7.507,922 0.9,923 62,924 13.761,926 5.843,927 0.026,929 7.526,931 27.157,933 22.88,936 2.026,937 74.944,941 388.446,942 143.938,943 69.593,944 39.149,945 25.145,948 143.938,949 452.74,950 69.593,951 8.825,952 45.033,953 75.81,954 81.431,955 24.504,956 42.22,957 388.446,959 388.446,960 213.531,961 25.145,962 39.149,964 341.362,965 72.229,968 60.903,969 101.046,970 51.582,971 39.149,972 388.446,973 94.737,974 183.087,977 388.446,978 59.303,979 84.635,980 36.022,981 97.865,982 388.446,983 94.737,984 183.087,986 0.57,987 0.343,988 0.199,989 0.114,990 26,991 11,992 0.132,993 10,994 3,995 1.25,996 4.913,997 345.474,998 0.25,999 24,1000 190.75,1005 25.791,1006 12.133,1007 5.853,1008 3.942,1009 94.737,1010 16.152,1011 9.335,1015 5.77,1017 36.022,1018 666.271,1019 53,1024 12.926,1028 -0.074,1031 71.196,1032 80.79,1034 0.232,1035 0.55,1036 0.719,1037 0.842,1038 0.899,1039 0.926,1040 5.218,1041 1.707,1042 6.098,1043 4.651,1044 4.727,1045 5.293,1046 1.27,1047 6.927,1048 4.674,1049 6.416,1050 1.537,1051 7.661,1052 3.789,1053 4.205,1054 5.165,1056 7.888,1057 4.115,1058 7.729,1059 1.476,1060 9.336,1061 3.391,1062 6.315,1063 7.578,1064 1.27,1065 11.066,1066 6.22,1067 9.089,1068 1.408,1069 11.082,1070 3.329,1071 6.698,1072 8.35,1074 12.917,1075 6.576,1076 10.489,1077 1.347,1078 12.874,1079 3.118,1080 8.229,1081 10.223,1082 1.34,1083 15.607,1084 8.099,1085 11.918,1086 1.247,1087 14.697,1088 3.005,1089 9.046,1090 11.402,1092 17.805,1093 8.896,1094 13.37,1095 1.133,1096 16.543,1097 2.902,1098 10.347,1099 13.063,1100 1.423,1101 20.334,1102 10.186,1103 3.253,1104 1,1105 18.404,1106 2.649,1107 11.365,1108 14.43,1110 22.673,1111 11.186,1112 3.226,1113 11.576,1114 20.278,1115 2.382,1116 12.58,1117 16.005,1118 1.51,1119 25.145,1120 12.386,1121 2.532,1122 11.348,1123 22.161,1124 4.592,1125 13.686,1126 17.457,1128 27.543,1129 13.474,1130 2.466,1131 8.37,1132 24.051,1133 4.564,1134 14.87,1135 18.998,1136 1.599,1137 29.995,1138 14.642,1139 2.354,1140 7.883,1141 25.947,1142 3.437,1143 16.015,1144 20.488,1146 32.417,1147 15.769,1148 2.182,1149 7.05,1150 27.849,1151 3.429,1152 17.19,1153 22.016,1154 1.69,1155 34.861,1156 16.927,1157 1.892,1158 6.711,1159 29.754,1160 3.082,1161 18.351,1162 23.523,1164 37.294,1165 18.069,1166 24613,1167 37412,1168 28.027,1169 48.518,1170 60.139,1171 62.158,1172 62.333,1173 60.271,1174 60.139,1175 78.207,1176 2.917,1177 170.195,1178 58.389,1179 5.638,1180 5.655,1181 6.833,1182 5.276,1183 5.253,1184 7.592,1185 2.117,1186 19.108,1187 5.197,1188 14.604,1189 1.467,1190 1.516,1191 1.52,1192 1.47,1193 1.467,1194 1.907,1195 0.071,1196 4.151,1197 1.424,1198 4.125,1199 4.155,1200 4.128,1201 4.054,1202 7.429,1203 4.058,1204 4.077,1205 4.099,1206 4.066,1207 4.012,1208 5.066,1209 4.016,1210 3.776,1211 3.842,1212 3.657,1213 3.656,1214 4.97,1215 3.641,1216 3.732,1217 3.781,1218 3.629,1219 3.64,1220 4.632,1221 3.624,1222 3.613,1223 3.675,1224 3.611,1225 3.491,1226 4.413,1227 3.486,1228 3.527,1229 3.579,1230 3.479,1231 3.388,1232 4.274,1233 3.378,1234 3.359,1235 3.431,1236 3.31,1237 3.18,1238 4.191,1239 3.18,1240 3.231,1241 3.287,1242 3.141,1243 3.066,1244 4.052,1245 3.074,1246 0.114,1247 0.089,1248 0.169,1249 0.103,1250 0.079,1251 4.671,1252 0.112,1253 3.655,1254 0.026,1255 6.924,1256 0.282,1257 4.235,1258 0.078,1259 3.253,1260 4.592,1261 1.058,1262 11.576,1263 3.197,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.437,1269 2.163,1270 2.047,1271 2.029,1272 2.108,1273 2.126,1274 1.387,1275 2.123,1276 1.782,1277 1.72,1278 2.029,1279 1.948,1280 1.254,1281 1.979,1282 1.754,1283 1.708,1284 1.949,1285 1.872,1286 1.169,1287 1.902,1288 1.593,1289 1.543,1290 1.838,1291 1.795,1292 1.122,1293 1.811,1294 1.531,1295 1.473,1296 1.734,1297 1.672,1298 0.841,1299 1.696,1300 1.323,1301 1.257,1302 1.582,1303 1.558,1304 0.811,1305 1.571,1306 1.204,1307 1.145,1308 1.459,1309 1.401,1310 0.751,1311 1.416,1312 4.419,1314 5.727,1316 7.251,1318 8.888,1320 10.59,1322 1.856,1323 6.284,1328 11.906,1329 6.848,1340 45.057,1341 103.13,1342 244.487,1343 319.422,1344 373.97,1345 399.48,1346 411.48,1347 65.736,1348 8.457,1349 66.91,1350 66.91,1351 30,1352 12.9,1353 4.585,1354 3.7,1355 57.49,1356 232,1357 148,1358 0.118,1359 278.471,1360 478.42,1361 671.229,1362 80978,1363 1.4,1364 25.614,1365 0.692,1366 0.604,1367 26.114,1368 22.334,1369 18.131,1370 0.442,1371 0.341,1372 13.552,1373 17.525,1374 13.209,1375 10.967,1376 18.42,1377 13.984,1378 15.704,1379 0.28,1380 0.185,1381 16.074,1382 10.365,1383 13.637,1384 0.177,1385 0.101,1386 14.017,1387 7.782,1388 11.68,1389 0.112,1390 0.054,1391 11.942,1392 5.614,1393 9.936,1394 0.073,1395 0.03,1396 10.248,1397 4.13,1398 0.197,1399 114.264,1400 0.189,1401 34.766,1402 0.294,1403 194,1404 461.895,1405 219.933,1406 489.186,1407 676.96,1408 460,1409 230,1410 487.513,1411 251.863,1412 507.711,1413 751.94,1414 482,1415 8.523}
{0 CHEMBL195437,1 1.117,2 9.267,3 5.242,4 27.481,5 65,6 5.577,7 0.4,8 3.62,9 3.762,10 2.902,11 3.162,12 4.525,13 3.065,14 4.177,15 4.398,16 3.096,17 3.514,18 4.965,19 3.355,20 4.478,21 4.77,22 3.032,23 3.591,24 5.181,25 3.379,26 4.426,27 4.738,28 2.788,29 3.476,30 5.034,31 3.229,32 4.297,33 4.624,34 2.669,35 3.344,36 4.831,37 3.092,38 4.161,39 4.469,40 2.585,41 3.218,42 4.795,43 2.986,44 4.054,45 4.363,46 2.478,47 3.099,48 4.707,49 2.868,50 3.898,51 4.203,52 2.356,53 2.948,54 4.59,55 2.726,56 0.047,57 0.463,58 9.089,59 4.055,60 6.803,61 5.622,62 0.072,63 0.738,64 14.826,65 6.503,66 11.986,67 9.155,68 0.119,69 0.883,70 18.705,71 7.787,72 20.007,73 11.102,74 0.109,75 0.815,76 17.262,77 7.215,78 15.723,79 10.345,80 0.079,81 0.714,82 14.889,83 6.358,84 9.979,85 9.145,86 0.09,87 0.621,88 13.291,89 5.48,90 12.145,91 7.844,92 0.084,93 0.551,94 11.9,95 4.859,96 11.655,97 6.958,98 0.075,99 0.469,100 10.22,101 4.127,102 10.927,103 5.902,104 12,105 17,106 0.21,107 0.466,108 0.625,109 0.752,110 0.823,111 0.843,112 2.788,113 1.221,114 -6.06,115 -5.91,116 -5.5,121 37.8,122 1,123 7,144 4,145 1,146 1,176 12,185 2,187 13,197 2,200 12,211 1,214 9,224 1,227 8,237 1,239 7,249 1,251 6,261 1,264 5,274 1,277 4,281 244,282 10.251,283 10.251,284 10.251,285 10.251,286 10.251,287 9.475,288 5.795,289 6.773,290 10.291,291 7.398,292 7.398,293 7.398,294 7.398,295 7.398,296 6.293,297 2.633,298 3.252,299 7.479,300 4.092,301 2.73,302 1.886,303 1.21,304 0.831,305 0.723,306 3.42,311 1,312 1,313 273,314 2.828,318 55.013,325 1.484,326 6.805,329 0.75,330 0.83,331 1,332 0.9,333 1,334 1,335 1,336 0.93,337 31,338 139,339 4.011,340 2.813,341 5.412,342 3.607,343 2.619,344 3.614,346 7.154,347 2.588,348 3.426,349 2.423,350 4.889,351 3.089,352 2.122,353 2.708,355 5.696,356 2.044,357 2.848,358 1.838,359 3.839,360 2.827,361 1.83,362 1.851,364 3.646,365 1.824,366 2.5,367 1.423,368 3.421,369 2.412,370 1.414,371 1.5,373 2.729,374 1.411,375 2.446,376 1,377 3.414,378 2,379 1,380 1.445,382 2.275,383 1,384 1.89,385 0.893,386 2.887,387 1.842,388 0.845,389 0.871,391 1.545,392 0.842,393 1.349,394 0.426,395 2.301,396 1.231,397 0.242,398 0.257,400 0.434,401 0.239,402 0.966,403 -0.022,404 2,405 0.775,406 -0.192,407 -0.214,409 -0.354,410 -0.183,411 0.5,412 -0.489,413 1.762,414 0.324,415 -0.654,416 -0.694,418 -1.203,419 -0.637,420 0.414,421 -0.949,422 1.442,424 -1,425 -1.208,427 -2.35,428 -1,429 -0.035,430 -1,431 0.935,432 -0.177,433 -1.143,434 -1.5,436 -3,437 -1.095,438 -0.247,439 -1.328,440 0.759,441 -0.455,442 -1.414,443 -1.57,445 -3.029,446 -1.372,447 -0.5,448 -1.603,449 0.586,450 -0.729,451 -1.724,452 -1.854,454 -3.579,455 -1.717,456 -0.653,457 -1.887,458 0.316,459 -0.945,460 -1.944,461 -2.208,463 -4.689,464 -1.943,465 -0.916,466 -2,467 0.036,468 -1,469 -2,470 -3,472 -5.275,473 -2,474 7.333,475 0.489,476 0.174,477 0.012,478 14.25,479 0.95,480 6.5,481 0.433,482 7.75,483 0.517,484 12.937,485 0.862,486 17.867,487 0.483,488 6.487,489 0.432,490 2.223,491 0.148,492 5.103,493 0.34,494 0.114,496 0.136,501 1.012,502 1.23,503 1.18,504 1.229,505 1.002,506 1.217,507 0.598,508 1.297,509 1.141,510 1.294,511 0.494,512 1.258,513 0.818,514 1.012,515 0.97,516 1.011,517 0.764,518 1.002,519 0.707,520 0.987,521 0.968,522 0.991,523 0.711,524 0.996,525 0.327,526 0.928,527 0.831,528 0.93,529 0.333,530 0.916,531 0.865,532 0.957,533 0.959,534 0.959,535 0.879,536 0.965,537 0.94,538 0.931,539 0.945,540 0.932,541 0.97,542 0.938,543 1.076,544 0.933,545 0.962,546 0.933,547 1.126,548 0.939,549 2,550 0.037,551 0.889,552 0.25,553 0.342,554 0.146,555 0.101,556 0.075,557 0.057,558 0.046,559 1797,560 3180,561 1.925,562 59.5,563 17,564 4,567 1,572 1.516,573 1.837,574 3.225,575 -0.395,582 41.339,583 1.117,584 2.48,585 3.324,586 4,587 4.378,588 4.486,589 2.74,590 3.507,591 3.874,592 3.327,593 349.339,594 6.429,595 3098.61,600 192.75,601 1.103,602 3.857,603 0.133,604 0.009,605 0.052,606 0.017,607 0.031,608 0.015,609 0.011,610 0.009,611 0.008,612 0.008,613 0.294,614 0.67,615 0.88,616 2.471,617 62.108,618 -0.068,619 0.044,620 -0.016,621 0.039,622 -0.051,623 0.018,624 0.018,625 -0.168,626 -0.102,627 -0.165,628 0.113,629 -0.144,630 0.004,631 -0.032,632 -0.007,633 -0.03,634 0.054,635 -0.02,636 -0.015,637 -0.042,638 -0.04,639 -0.042,640 -0.025,641 -0.043,642 0.068,643 0.006,644 0.062,645 0.011,646 0.046,647 0.033,648 -0.022,649 -0.012,650 -0.017,651 -0.013,652 -0.045,653 -0.014,654 -0.022,655 0.005,656 -0.001,657 0.005,658 -0.054,659 0.004,660 -0.033,661 0.005,662 -0.006,663 0.004,664 -0.074,665 0.002,666 1.304,667 3.125,668 0.4,669 11.422,670 0.974,671 1.129,672 4.833,673 23.359,674 0.617,675 2.773,676 2.89,677 2.944,678 2.996,679 3.135,680 2.89,681 2.708,682 2.639,683 2.565,684 2.398,685 5.416,686 0.554,687 206.36,688 2.773,689 4.174,690 4.905,691 5.666,692 6.422,693 7.192,694 7.96,695 8.736,696 9.511,697 10.292,715 4,720 2,722 6,738 1,741 37,743 6,744 1,745 15,747 37,748 14,749 6,750 2,751 4,756 1,757 1,763 1,770 7,772 6,773 8,793 22,794 1,795 1,796 1,808 1,809 1,829 1,859 1,864 1,868 15,875 1,876 7,893 2.7,895 1,901 8.167,902 6.533,903 3.667,904 2.731,907 1.124,908 1.214,909 0.884,910 6.102,911 6.366,912 2.944,913 3.314,914 3.67,915 4.05,916 4.52,917 4.182,918 3.898,919 3.878,920 3.857,921 3.791,922 1,923 15,924 5.569,925 -0.001,926 2.129,927 0.026,929 7.489,931 11.208,933 8.717,934 -0.001,936 1.989,937 29.833,938 0.01,941 247.193,942 67.657,945 42.683,948 67.657,949 289.876,951 8.825,952 17.742,953 37.905,954 42.683,955 3.186,957 247.193,959 247.193,960 67.657,961 42.683,964 247.193,965 42.683,968 26.567,969 41.091,972 247.193,973 42.683,974 67.657,977 247.193,978 20.927,979 46.73,981 42.683,982 247.193,983 42.683,984 67.657,986 0.527,987 0.274,988 0.131,989 0.074,990 5,991 2,992 0.189,993 7,995 1,996 2.913,997 78.337,999 6,1000 54.603,1005 12.252,1006 7.47,1007 5.583,1009 42.683,1010 7.571,1015 1.699,1017 42.683,1018 357.534,1019 18,1031 36.047,1032 41.777,1034 0.214,1035 0.476,1036 0.638,1037 0.768,1038 0.84,1039 0.861,1040 4.052,1041 -0.192,1042 4.762,1043 0.434,1044 3.555,1045 3.989,1047 5.303,1048 3.532,1049 5.125,1050 -0.654,1051 6.146,1052 -0.354,1053 2.565,1054 3.332,1056 5.602,1057 2.468,1058 6.321,1059 -1,1060 7.625,1061 -1.203,1062 4.875,1063 5.933,1065 8.623,1066 4.828,1067 7.556,1068 -1.143,1069 9.162,1070 -2.35,1071 4.71,1072 6.136,1074 9.803,1075 4.583,1076 8.829,1077 -1.414,1078 10.737,1079 -3,1080 6.425,1081 8.189,1083 12.241,1084 6.351,1085 10.127,1086 -1.724,1087 12.338,1088 -3.029,1089 6.718,1090 8.805,1092 13.803,1093 6.577,1094 11.444,1095 -1.944,1096 13.958,1097 -3.579,1098 8.109,1099 10.585,1101 15.999,1102 8.009,1103 2.619,1104 -2,1105 15.591,1106 -4.689,1107 8.673,1108 11.43,1110 17.75,1111 8.521,1112 2.122,1113 7.154,1114 17.234,1115 -5.275,1116 9.879,1117 13.049,1119 19.831,1120 9.754,1121 1.83,1122 5.696,1123 18.885,1124 3.614,1125 10.608,1126 14.037,1128 21.681,1129 10.443,1130 1.414,1131 3.646,1132 20.541,1133 2.708,1134 11.708,1135 15.551,1137 23.705,1138 11.559,1139 1,1140 2.729,1141 22.202,1142 1.851,1143 12.533,1144 16.634,1146 25.608,1147 12.354,1148 0.845,1149 2.275,1150 23.866,1151 1.5,1152 13.573,1153 18.077,1155 27.604,1156 13.401,1157 0.242,1158 1.545,1159 25.533,1160 1.445,1161 14.456,1162 19.223,1164 29.536,1165 14.261,1166 1934,1167 2676,1168 9.822,1169 22.83,1170 20.143,1171 20.197,1172 20.594,1173 20.203,1174 20.142,1175 24.494,1177 46.957,1178 19.894,1179 4.927,1180 4.813,1181 5.376,1182 4.607,1183 4.619,1184 6.614,1186 12.429,1187 4.588,1188 6.802,1189 1.343,1190 1.346,1191 1.373,1192 1.347,1193 1.343,1194 1.633,1196 3.13,1197 1.326,1198 3.938,1199 3.97,1200 3.863,1201 3.87,1202 6.471,1203 3.864,1204 3.753,1205 3.814,1206 3.588,1207 3.636,1208 4.624,1209 3.615,1210 3.533,1211 3.606,1212 3.347,1213 3.396,1214 4.209,1215 3.374,1216 3.249,1217 3.33,1218 3.049,1219 3.086,1220 3.999,1221 3.065,1222 2.957,1223 3.035,1224 2.753,1225 2.764,1226 3.687,1227 2.748,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 2.7,1235 2.788,1236 2.418,1237 2.453,1238 3.35,1239 2.429,1240 2.427,1241 2.556,1242 2.056,1243 2.121,1244 3.035,1245 2.081,1246 0.267,1247 0.188,1248 0.361,1249 0.24,1250 0.175,1251 4.011,1252 0.241,1253 2.813,1255 5.412,1256 0.477,1257 3.607,1258 0.173,1259 2.619,1260 3.614,1262 7.154,1263 2.588,1264 1.923,1265 1.895,1266 2.081,1267 2.021,1268 1.41,1269 2.041,1270 1.771,1271 1.711,1272 2.001,1273 1.922,1274 1.241,1275 1.954,1276 1.561,1277 1.493,1278 1.841,1279 1.741,1280 1.045,1281 1.779,1282 1.275,1283 1.197,1284 1.607,1285 1.489,1286 0.822,1287 1.533,1288 0.964,1289 0.884,1290 1.337,1291 1.216,1292 0.545,1293 1.257,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.275,1299 1.107,1300 0.693,1301 0.604,1302 1.089,1303 1.005,1304 0.218,1305 1.026,1306 0.448,1307 0.321,1308 0.914,1309 0.819,1310 0.054,1311 0.864,1312 3.434,1314 4.595,1316 5.938,1318 7.37,1320 8.852,1322 2.246,1327 9.125,1328 9.191,1340 20.51,1341 41.339,1342 91.753,1343 122.975,1344 147.995,1345 161.995,1346 165.995,1347 24.83,1348 5.242,1349 20.23,1350 20.23,1351 6,1352 10.906,1353 2.807,1354 2,1355 31.687,1356 48,1357 49,1358 0.322,1359 132.884,1360 228.37,1361 315.997,1362 987,1364 10.933,1365 0.729,1366 0.647,1367 10.933,1368 9.706,1369 7.326,1370 0.488,1371 0.407,1372 6.09,1373 7.254,1374 5.91,1375 5.044,1376 7.326,1377 6.106,1378 5.682,1379 0.334,1380 0.246,1381 5.682,1382 4.184,1383 4.101,1384 0.228,1385 0.153,1386 4.101,1387 2.755,1388 2.831,1389 0.149,1390 0.093,1391 2.831,1392 1.772,1393 2.242,1394 0.102,1395 0.054,1396 2.242,1397 1.191,1398 0.527,1399 44.532,1400 0.319,1401 16.153,1402 0.814,1403 64,1404 130.15,1405 66.104,1406 131.259,1407 175.26,1408 122,1409 67,1410 123.03,1411 68.661,1412 127.417,1413 178.22,1414 120,1415 4.94}
{0 CHEMBL19557,1 1.75,2 8,3 1.299,4 1.688,5 67.168,6 7.383,7 0.294,8 3.636,9 3.766,10 3.238,11 3.06,12 4.792,13 3.003,14 4.139,15 4.367,16 3.507,17 3.355,18 5.095,19 3.258,20 4.246,21 4.492,22 3.568,23 3.401,24 5.181,25 3.297,26 4.303,27 4.52,28 3.497,29 3.506,30 5.299,31 3.337,32 4.426,33 4.714,34 3.318,35 3.436,36 5.307,37 3.221,38 4.205,39 4.482,40 3.015,41 3.215,42 5.102,43 3.021,44 3.841,45 4.041,46 2.948,47 2.926,48 4.942,49 2.894,50 4.012,51 4.254,52 2.845,53 2.888,54 5.121,55 2.845,56 0.142,57 0.505,58 8.739,59 3.132,60 14.565,61 4.297,62 0.252,63 0.712,64 18.058,65 4.505,66 16.053,67 6.654,68 0.377,69 0.729,70 22.233,71 4.724,72 22.162,73 7.223,74 0.362,75 0.774,76 20.428,77 6.408,78 31.841,79 8.659,80 0.423,81 0.719,82 26.439,83 6.918,84 38.542,85 9.246,86 0.444,87 0.589,88 24.694,89 5.448,90 30.567,91 7.16,92 0.198,93 0.459,94 10.353,95 2.578,96 19.44,97 4.261,98 0.341,99 0.438,100 13.631,101 2.611,102 35.258,103 4.482,104 31,105 21,106 0.332,107 0.56,108 0.747,109 0.777,110 0.777,111 0.777,112 2.905,113 1.16,114 -2.82,115 -2.83,116 -2.74,121 28.6,122 3,127 4,151 1,160 1,163 1,168 1,172 1,179 2,180 5,191 2,192 4,197 1,205 1,206 1,209 2,214 1,218 1,219 1,222 1,227 3,231 2,235 1,237 1,243 1,244 2,256 5,261 2,269 2,281 344,282 11.525,283 11.525,284 11.525,285 11.525,286 11.525,287 10.494,288 12.547,289 6.909,290 12.106,291 8.17,292 8.17,293 8.17,294 8.17,295 8.17,296 6.866,297 11.078,298 3.001,299 8.971,300 3.379,301 2.178,302 1.194,303 1.036,304 1.036,305 1.036,306 3.531,311 1,312 1,313 264,314 3.606,317 55.498,325 1.176,326 13.465,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 38,338 136,339 4.269,340 4.539,341 6.163,342 3.822,343 2.894,344 3.871,345 3.49,346 9.125,347 2.682,348 3.636,349 3.553,350 5.271,351 3.359,352 2.446,353 2.956,354 1.434,355 6.646,356 2.23,357 3.435,358 2.911,359 5.053,360 3.137,361 2.232,362 2.439,363 0.8,364 6.064,365 2.013,366 2.758,367 2.721,368 4.15,369 2.322,370 1.427,371 1.803,373 3.619,374 1.259,375 2.267,376 2.485,377 3.365,378 2.021,379 1.093,380 1.224,382 2.249,383 0.999,384 2.182,385 1.673,386 3.263,387 1.655,388 0.698,389 1.023,391 1.651,392 0.666,393 1.618,394 0.744,395 2.618,396 1.591,397 0.618,398 0.618,400 0.791,401 0.6,402 1.39,403 0.742,404 2.618,405 1.25,406 0.34,407 0.35,409 0.525,410 0.304,411 0.9,412 0.589,413 2.343,414 0.803,415 -0.137,416 -0.14,418 -0.19,419 -0.126,420 0.465,421 0.247,422 1.673,423 0.278,424 -0.661,425 -0.698,427 -1.273,428 -0.617,429 0.335,430 -0.399,431 1.601,432 0.112,433 -0.838,434 -0.966,436 -1.87,437 -0.796,438 0.031,439 -0.463,440 1.163,441 -0.466,442 -1.384,443 -1.535,445 -3.791,446 -1.212,447 -0.294,448 -1.174,449 0.744,450 -0.636,451 -1.521,452 -1.618,454 -3.892,455 -1.358,456 -0.336,457 -1.344,458 0.699,459 -0.691,460 -1.618,461 -1.866,462 -0.4,463 -3.944,464 -1.5,465 -0.615,466 -1.41,467 0.512,468 -0.799,469 -1.751,470 -2.252,471 -0.4,472 -4.635,473 -1.643,474 8.1,475 0.476,476 0.294,477 0.017,478 16.5,479 0.971,480 5.5,481 0.324,482 11,483 0.647,484 15.79,485 0.929,486 20.7,487 0.591,488 9.131,489 0.537,490 3.127,491 0.184,492 5.079,493 0.299,494 0.226,496 0.235,501 0.715,502 1.598,503 0.811,504 1.179,505 0.771,506 1.184,507 0.745,508 1.277,509 0.963,510 1.113,511 0.425,512 0.941,513 0.792,514 0.966,515 0.989,516 1.107,517 0.604,518 0.889,519 0.652,520 1.246,521 0.995,522 1.254,523 0.604,524 1.277,525 0.86,526 0.874,527 1.064,528 1.024,529 0.934,530 0.908,531 0.966,532 0.898,533 1.662,534 1.371,535 1.065,536 0.96,537 1.451,538 1.326,539 0.867,540 1.018,541 1.818,542 1.226,543 1.985,544 0.965,545 0.913,546 0.699,547 1.98,548 0.955,549 3.5,551 1.778,552 0.972,553 0.49,554 0.382,555 0.26,556 0.156,557 0.112,558 0.089,559 2156,560 6272,561 1.869,562 51.4,564 8,567 1,568 3,569 6,572 1.567,573 1.729,574 3.03,575 -0.083,577 1,579 1,582 61.247,583 1.75,584 2.951,585 3.936,586 4.093,587 4.093,588 4.093,589 2.469,590 3.735,591 4.059,592 3.164,593 430.294,594 6.853,595 4091.33,597 1,600 179.525,601 1.468,602 3.999,603 0.206,605 0.085,606 0.049,607 0.027,608 0.025,609 0.02,610 0.012,611 0.01,612 0.015,613 0.449,614 0.5,615 1,616 2.375,617 71.945,618 0.188,619 -0.243,620 0.079,621 -0.034,622 0.119,623 -0.077,624 0.076,625 -0.127,626 0.118,627 -0.002,628 0.145,629 0.081,630 0.078,631 0.137,632 0.142,633 0.001,634 0.096,635 0.113,636 0.2,637 -0.168,638 0.003,639 -0.13,640 0.192,641 -0.213,642 0.042,643 0.009,644 0.064,645 0.057,646 0.039,647 0.088,648 0.019,649 0.084,650 -0.246,651 -0.099,652 -0.044,653 0.042,654 -0.237,655 -0.261,656 -0.212,657 -0.282,658 -0.322,659 -0.312,660 -0.438,661 -0.113,662 -0.191,663 -0.056,664 -0.301,665 -0.13,666 1.394,667 2.894,668 0.294,669 12.131,670 1.009,671 1.15,672 1.585,673 2.513,674 0.626,675 2.89,676 3.091,677 3.258,678 3.332,679 3.219,680 3.178,681 3.091,682 2.833,683 2.639,684 2.565,685 5.029,686 0.583,687 258.39,688 2.89,689 4.344,690 5.13,691 5.943,692 6.749,693 7.569,694 8.383,695 9.207,696 10.026,697 10.852,698 11.4,701 1,707 1,708 2,716 2,718 1,720 2,722 5,741 35,743 6,745 17,747 35,748 10,749 2,752 1,756 1,757 1,763 3,772 3,773 7,777 1,785 1,786 1,789 1,790 1,793 18,794 6,795 1,796 7,797 1,802 4,808 1,809 2,828 1,855 1,857 1,859 1,860 1,862 1,864 3,868 17,875 1,876 4,879 1,881 1,893 5.7,898 2,901 9.833,902 7.083,903 4.194,904 2.303,907 0.956,908 1.177,909 0.857,910 6.368,911 6.364,912 3.068,913 3.504,914 3.929,915 4.325,916 4.345,917 4.454,918 4.263,919 3.75,920 3.726,921 3.829,922 1,923 20,924 6.214,926 2.356,927 0.026,929 7.814,931 11.832,933 8.623,936 2.314,937 39.333,938 0.002,941 200.109,942 74.382,943 52.754,945 52.54,947 32.22,948 42.162,949 252.649,950 52.754,951 26.476,952 7.217,954 42.524,955 71.24,957 232.328,959 200.109,960 94.916,961 52.54,962 32.22,964 131.81,965 123.166,968 55.084,969 1.122,970 36.382,971 32.22,972 200.109,973 105.294,974 74.382,977 200.109,978 47.906,979 29.6,981 102.169,982 200.109,983 105.294,984 74.382,986 0.546,987 0.33,988 0.16,989 0.065,990 7,991 4,992 0.2,993 7,995 1,996 2.922,997 100.475,999 5,1000 65.487,1001 1,1005 14.321,1006 7.56,1007 4.559,1009 105.294,1011 7.676,1013 4.941,1015 0.806,1017 42.806,1018 379.784,1019 20.5,1027 3.185,1028 0.373,1031 35.323,1032 40.238,1034 0.341,1035 0.575,1036 0.767,1037 0.798,1038 0.798,1039 0.798,1040 4.238,1041 0.34,1042 5.069,1043 0.791,1044 3.761,1045 4.182,1046 3.416,1047 5.771,1048 3.587,1049 5.379,1050 -0.137,1051 6.572,1052 0.525,1053 3.219,1054 3.829,1055 0.325,1056 6.555,1057 2.966,1058 6.642,1059 -0.661,1060 8.174,1061 -0.19,1062 5.252,1063 6.204,1064 5.726,1065 9.522,1066 4.908,1067 7.943,1068 -0.838,1069 9.833,1070 -1.273,1071 5.565,1072 6.761,1073 0.268,1074 11.132,1075 5.144,1076 9.279,1077 -1.384,1078 11.528,1079 -1.87,1080 7.008,1081 8.54,1082 8.198,1083 13.601,1084 6.506,1085 10.637,1086 -1.521,1087 13.248,1088 -3.791,1089 7.702,1090 9.511,1091 0.188,1092 15.546,1093 7.127,1094 12.012,1095 -1.618,1096 14.987,1097 -3.892,1098 8.909,1099 11.048,1100 10.693,1101 17.853,1102 8.257,1103 2.894,1104 -1.751,1105 16.739,1106 -3.944,1107 9.785,1108 12.219,1109 0.125,1110 19.943,1111 9.061,1112 2.446,1113 9.125,1114 18.501,1115 -4.635,1116 10.896,1117 13.65,1118 13.192,1119 22.191,1120 10.096,1121 2.232,1122 6.646,1123 20.272,1124 3.871,1125 11.861,1126 14.917,1127 0.082,1128 24.346,1129 10.989,1130 1.427,1131 6.064,1132 22.051,1133 2.956,1134 12.933,1135 16.303,1136 15.692,1137 26.573,1138 11.988,1139 1.093,1140 3.619,1141 23.835,1142 2.439,1143 13.942,1144 17.615,1145 0.054,1146 28.757,1147 12.924,1148 0.698,1149 2.249,1150 25.625,1151 1.803,1152 15.001,1153 18.982,1154 18.192,1155 30.975,1156 13.909,1157 0.618,1158 1.651,1159 27.418,1160 1.224,1161 16.033,1162 20.315,1163 0.035,1164 33.173,1165 14.868,1166 2362,1167 4235,1168 10.633,1169 21.909,1170 23.816,1171 27.556,1172 25.472,1173 23.539,1174 23.496,1175 28.566,1176 11.449,1177 61.343,1178 21.507,1179 5.192,1180 6.373,1181 5.781,1182 4.943,1183 4.873,1184 6.539,1185 6.98,1186 15.349,1187 4.526,1188 10.005,1189 1.401,1190 1.621,1191 1.498,1192 1.385,1193 1.382,1194 1.68,1195 0.673,1196 3.608,1197 1.265,1198 3.869,1199 3.903,1200 3.996,1201 3.668,1202 6.543,1203 3.67,1204 3.736,1205 3.812,1206 3.688,1207 3.516,1208 5.286,1209 3.532,1210 3.39,1211 3.445,1212 3.5,1213 3.292,1214 4.321,1215 3.231,1216 3.306,1217 3.407,1218 3.04,1219 3.123,1220 4.072,1221 3.089,1222 3.181,1223 3.259,1224 3.02,1225 2.961,1226 3.957,1227 2.958,1228 2.908,1229 2.981,1230 2.711,1231 2.542,1232 3.892,1233 2.554,1234 2.619,1235 2.743,1236 2.58,1237 2.3,1238 3.71,1239 2.285,1240 2.316,1241 2.416,1242 2.119,1243 1.992,1244 3.473,1245 1.937,1246 0.251,1247 0.267,1248 0.363,1249 0.225,1250 0.17,1251 4.269,1252 0.228,1253 4.539,1254 0.205,1255 6.163,1256 0.537,1257 3.822,1258 0.158,1259 2.894,1260 3.871,1261 3.49,1262 9.125,1263 2.682,1264 1.71,1265 1.64,1266 1.95,1267 1.929,1268 1.219,1269 1.945,1270 1.499,1271 1.456,1272 1.725,1273 1.7,1274 0.938,1275 1.702,1276 1.404,1277 1.345,1278 1.704,1279 1.652,1280 0.869,1281 1.64,1282 1.351,1283 1.256,1284 1.636,1285 1.584,1286 0.745,1287 1.638,1288 1.221,1289 1.164,1290 1.316,1291 1.492,1292 0.377,1293 1.488,1294 0.651,1295 0.594,1296 1.079,1297 1.164,1298 0.206,1299 1.046,1300 0.558,1301 0.463,1302 0.9,1303 0.957,1304 0.058,1305 1.004,1306 0.505,1307 0.397,1308 0.834,1309 0.908,1310 0.027,1311 0.881,1312 3.555,1314 4.779,1315 2.398,1316 6.184,1317 4.595,1318 7.666,1319 6.555,1320 9.19,1322 5.968,1327 8.894,1328 3.789,1331 1.409,1333 2.293,1340 20.39,1341 61.247,1342 103.283,1343 137.75,1344 143.26,1345 143.26,1346 143.26,1347 30.125,1348 5.407,1349 74.75,1350 100.05,1351 5,1352 11.43,1353 2.807,1354 2.17,1355 38.181,1356 50,1357 44,1358 0.375,1359 136.819,1360 230.47,1361 325.598,1362 1078,1364 12.673,1365 0.745,1366 0.659,1367 13.027,1368 11.197,1369 8.206,1370 0.483,1371 0.387,1372 5.56,1373 7.208,1374 5.254,1375 4.442,1376 8.66,1377 6.572,1378 6.46,1379 0.308,1380 0.215,1381 7.043,1382 4.511,1383 5.268,1384 0.211,1385 0.13,1386 5.969,1387 3.258,1388 3.818,1389 0.141,1390 0.079,1391 4.479,1392 2.136,1393 2.216,1394 0.092,1395 0.053,1396 2.866,1397 1.269,1398 0.588,1399 57.426,1400 0.307,1401 17.479,1402 1.021,1403 76,1404 281.326,1405 111.231,1406 284.158,1407 377.23,1408 264,1409 84,1410 267.233,1411 117.125,1412 272.145,1413 386.54,1414 253,1415 4.046}
{0 CHEMBL195713,1 1.68,2 8.692,3 7.47,4 55.793,5 87.179,6 18.169,7 0.444,8 3.474,9 3.463,10 3.722,11 3.207,12 5.118,13 3.263,14 3.942,15 3.928,16 4.244,17 3.594,18 5.702,19 3.67,20 4.294,21 4.276,22 4.829,23 3.788,24 6.59,25 3.873,26 4.222,27 4.195,28 4.782,29 3.6,30 6.681,31 3.72,32 3.997,33 3.956,34 4.48,35 3.318,36 6.552,37 3.471,38 3.773,39 3.74,40 4.151,41 3.216,42 6.104,43 3.344,44 3.794,45 3.777,46 4.311,47 3.231,48 6.043,49 3.357,50 3.725,51 3.71,52 4.365,53 3.026,54 6.079,55 3.2,56 0.777,57 0.657,58 7.997,59 0.934,60 127.68,61 0.27,62 1.232,63 1.042,64 12.837,65 1.675,66 202.526,67 0.478,68 1.74,69 1.745,70 22.114,71 3.907,72 304.806,73 1.025,74 1.569,75 1.513,76 19.176,77 4.177,78 286.705,79 1.076,80 1.197,81 0.988,82 12.292,83 3.489,84 228.209,85 0.895,86 0.964,87 0.734,88 9.045,89 2.243,90 169.351,91 0.592,92 0.975,93 0.745,94 9.735,95 2.38,96 142.418,97 0.609,98 0.858,99 0.573,100 8.035,101 2.624,102 106.238,103 0.645,104 145,105 42,106 0.328,107 0.523,108 0.611,109 0.74,110 0.796,111 0.796,112 3.305,113 0.882,114 -6.44,115 -6.27,116 -5.82,121 53.8,145 2,146 10,159 2,180 2,187 2,191 1,192 2,200 7,206 2,214 5,219 4,227 4,232 3,239 2,244 1,251 1,281 880,282 15.985,283 15.985,284 15.985,285 15.985,286 15.985,287 13.779,288 9.543,289 8.444,290 16.622,291 12.985,292 12.985,293 12.985,294 12.985,295 12.985,296 9.782,297 7.775,298 3.796,299 14.547,300 3.02,301 2.017,302 1.567,303 0.904,304 0.615,305 0.615,306 3.945,308 5,312 1,313 454,314 3.464,318 184.67,325 1.148,326 90.634,329 0.75,330 0.67,331 0.83,332 0.3,334 0.83,335 1,336 0.63,337 63.167,338 226,339 4.733,340 3.959,341 7.097,342 4.335,343 3.377,344 4.48,346 12.061,347 3.264,348 4.625,349 3.741,350 6.936,351 4.162,352 3.252,353 4.393,355 11.432,356 2.932,357 4.098,358 3.568,359 6.332,360 3.702,361 2.748,362 3.53,364 9.168,365 2.507,366 3.706,367 3.035,368 6.016,369 3.277,370 2.36,371 3.084,373 8.058,374 2.091,375 3.637,376 3.03,377 5.791,378 3.2,379 2.303,380 3,382 7.292,383 2.033,384 3.637,385 3.006,386 5.791,387 3.108,388 2.303,389 3,391 7.292,392 1.704,393 3.23,394 2.719,395 5.293,396 2.754,397 1.825,398 2.428,400 5.63,401 1.607,402 2.485,403 2.559,404 4.214,405 1.93,406 0.958,407 1.273,409 2.557,410 0.853,411 1.781,412 1.904,413 3.618,414 1.409,415 0.618,416 0.686,418 1.464,419 0.475,420 1.781,421 1.86,422 3.618,423 1.22,424 0.618,425 0.686,427 1.464,428 0.306,429 1.591,430 1.701,431 3.577,432 1.168,433 0.372,434 0.421,436 0.902,437 0.26,438 1.563,439 1.655,440 3.051,441 1.002,442 0.242,443 0.283,445 0.527,446 0.145,447 0.875,448 0.898,449 2.277,450 0.538,451 -0.255,452 -0.277,454 -0.583,455 -0.151,456 0.874,457 0.867,458 2,459 0.321,460 -0.35,461 -0.457,463 -0.776,464 -0.278,465 0.179,466 -0.268,467 2,468 -0.245,469 -1.255,470 -1.412,472 -3.031,473 -0.643,474 12.667,475 0.487,476 1.158,477 0.045,478 31.5,479 1.212,480 15,481 0.577,482 16.5,483 0.635,484 25.661,485 0.987,486 28.733,487 1.105,488 29.32,489 1.128,490 6.649,491 0.256,492 5.28,493 0.203,494 0.447,496 0.553,499 5,501 0.82,502 0.708,503 0.687,504 0.533,505 0.77,506 0.554,507 1.054,508 0.911,509 0.883,510 0.685,511 0.989,512 0.712,513 1.017,514 0.861,515 0.827,516 0.669,517 0.969,518 0.698,519 0.977,520 0.817,521 0.804,522 0.781,523 0.996,524 0.806,525 0.768,526 0.694,527 0.749,528 0.819,529 0.834,530 0.826,531 0.957,532 0.948,533 1.032,534 0.863,535 0.921,536 0.865,537 1.149,538 1.282,539 1.314,540 1.223,541 1.095,542 1.204,543 1.237,544 1.54,545 1.523,546 1.756,547 1.265,548 1.706,549 6,550 0.041,551 5.333,552 3.75,553 2.933,554 1.028,555 0.731,556 0.611,557 0.46,558 0.183,559 5815,560 45627,561 1.807,572 1.698,573 1.56,574 3.077,575 -0.532,582 43.689,583 1.68,584 2.684,585 3.134,586 3.796,587 4.085,588 4.085,589 2.412,590 3.085,591 4.679,592 3.197,593 1039.17,594 8.143,595 12368.7,600 122.211,601 0.996,602 4.522,603 0.222,604 0.007,605 0.127,606 0.069,607 0.061,608 0.027,609 0.023,610 0.019,611 0.016,612 0.011,613 0.583,614 0.67,615 0.63,616 0.696,617 123.387,618 0.029,619 0.02,620 0.018,621 0.006,622 0.025,623 0.007,624 -0.184,625 -0.126,626 -0.115,627 -0.036,628 -0.158,629 -0.047,630 -0.066,631 0.087,632 0.121,633 0.273,634 -0.02,635 0.245,636 -0.01,637 0.143,638 0.16,639 0.281,640 0.016,641 0.254,642 0.176,643 0.174,644 0.115,645 0.226,646 0.2,647 0.226,648 -0.039,649 -0.102,650 -0.197,651 0.036,652 0.036,653 0.044,654 -0.163,655 -0.243,656 -0.272,657 -0.239,658 -0.144,659 -0.227,660 -0.175,661 -0.322,662 -0.285,663 -0.584,664 -0.256,665 -0.556,666 4.169,667 5.72,668 0.462,669 16.757,670 1.164,671 1.151,672 5.207,673 27.116,674 0.873,675 3.332,676 3.761,677 4.111,678 4.29,679 4.443,680 4.443,681 4.344,682 4.29,683 4.29,684 4.29,685 5.265,686 0.928,687 472.39,688 3.332,689 4.934,690 5.838,691 6.756,692 7.67,693 8.589,694 9.505,695 10.425,696 11.342,697 12.261,720 12,722 12,727 2,740 10,741 26,743 14,744 2,745 27,747 27,748 14,749 12,750 12,752 2,756 2,757 2,758 5,772 14,777 2,782 2,786 2,791 5,794 7,796 12,797 5,808 1,809 2,829 2,859 2,865 5,866 5,868 26,892 10,893 7.7,896 2,901 16.667,902 5.262,903 5.667,904 1.378,907 2.267,908 1.336,909 0.969,910 6.107,911 9.015,912 3.584,913 4.304,914 4.945,915 5.45,916 5.929,917 6.126,918 6.151,919 6.242,920 6.436,921 6.747,922 0.833,923 54,924 10.306,926 5.565,927 0.026,929 9.265,931 15.834,933 12.865,936 3.765,937 97.889,942 79.746,944 195.743,945 50.29,946 74.801,948 79.746,949 246.033,950 74.801,954 60.557,955 69.479,956 74.801,958 195.743,960 79.746,961 125.09,962 195.743,964 74.801,965 50.29,969 79.746,970 195.743,972 74.801,973 50.29,974 275.489,978 79.746,981 320.834,983 125.09,984 275.489,986 0.623,987 0.413,988 0.198,989 0.095,990 20,991 14,992 0.111,993 3,995 1,996 3.258,997 226.254,999 12,1000 106.211,1005 21.199,1006 7.49,1007 3.309,1009 125.09,1015 -18.053,1018 400.58,1019 35,1024 24.356,1028 -3.931,1031 30.255,1032 29.913,1034 0.357,1035 0.571,1036 0.667,1037 0.808,1038 0.869,1039 0.869,1040 4.89,1041 0.958,1042 5.922,1043 5.63,1044 4.443,1045 4.99,1047 6.868,1048 4.228,1049 6.195,1050 0.618,1051 7.603,1052 2.557,1053 4.443,1054 5.231,1056 8.03,1057 4.101,1058 7.582,1059 0.618,1060 9.378,1061 1.464,1062 6.201,1063 7.343,1065 11.198,1066 5.872,1067 9.003,1068 0.372,1069 11.197,1070 1.464,1071 6.929,1072 8.299,1074 13.074,1075 6.482,1076 10.448,1077 0.242,1078 13.043,1079 0.902,1080 8.269,1081 9.995,1083 15.817,1084 7.839,1085 11.91,1086 -0.255,1087 14.906,1088 0.527,1089 9.275,1090 11.241,1092 18.004,1093 8.758,1094 13.387,1095 -0.35,1096 16.783,1097 -0.583,1098 10.501,1099 12.805,1101 20.59,1102 9.978,1103 3.377,1104 -1.255,1105 18.669,1106 -0.776,1107 11.618,1108 14.181,1110 22.927,1111 11.033,1112 3.252,1113 12.061,1114 20.564,1115 -3.031,1116 12.815,1117 15.698,1119 25.447,1120 12.208,1121 2.748,1122 11.432,1123 22.466,1124 4.48,1125 13.977,1126 17.134,1128 27.855,1129 13.322,1130 2.36,1131 9.168,1132 24.374,1133 4.393,1134 15.17,1135 18.633,1137 30.347,1138 14.485,1139 2.303,1140 8.058,1141 26.288,1142 3.53,1143 16.353,1144 20.098,1146 32.789,1147 15.627,1148 2.303,1149 7.292,1150 28.206,1151 3.084,1152 17.547,1153 21.591,1155 35.27,1156 16.789,1157 1.825,1158 7.292,1159 30.128,1160 3,1161 18.74,1162 23.069,1164 37.729,1165 17.944,1166 6133,1167 17234,1168 15.381,1169 22.693,1170 42.627,1171 48.107,1172 48.125,1173 42.176,1174 41.955,1175 54.529,1177 135.688,1178 36.355,1179 5.581,1180 5.959,1181 5.915,1182 5.335,1183 5.377,1184 7.48,1186 20.061,1187 5.264,1188 21.417,1189 1.579,1190 1.782,1191 1.782,1192 1.562,1193 1.554,1194 2.02,1196 5.025,1197 1.346,1198 4.013,1199 4.012,1200 4.305,1201 3.952,1202 8.281,1203 3.952,1204 3.899,1205 3.895,1206 3.985,1207 3.823,1208 8.225,1209 3.837,1210 3.424,1211 3.401,1212 3.744,1213 3.25,1214 8.194,1215 3.285,1216 3.002,1217 3.034,1218 3.668,1219 2.935,1220 8.156,1221 2.893,1222 2.949,1223 2.945,1224 3.392,1225 2.823,1226 8.141,1227 2.831,1228 2.943,1229 2.909,1230 3.294,1231 2.724,1232 7.496,1233 2.787,1234 2.654,1235 2.639,1236 3.236,1237 2.428,1238 7.352,1239 2.466,1240 2.309,1241 2.247,1242 3.047,1243 1.84,1244 5.167,1245 1.946,1246 0.175,1247 0.147,1248 0.263,1249 0.161,1250 0.125,1251 4.733,1252 0.166,1253 3.959,1255 7.097,1256 0.447,1257 4.335,1258 0.121,1259 3.377,1260 4.48,1262 12.061,1263 3.264,1264 1.911,1265 1.918,1266 1.877,1267 2.014,1268 1.082,1269 1.975,1270 1.819,1271 1.819,1272 1.752,1273 1.877,1274 0.973,1275 1.87,1276 1.266,1277 1.284,1278 1.227,1279 1.464,1280 0.231,1281 1.4,1282 0.808,1283 0.833,1284 0.744,1285 1.086,1287 0.972,1288 0.794,1289 0.803,1290 0.721,1291 0.982,1293 0.911,1294 0.768,1295 0.751,1296 0.568,1297 0.814,1299 0.848,1300 0.417,1301 0.433,1302 0.311,1303 0.666,1305 0.592,1309 0.389,1311 0.256,1312 4.007,1314 5.407,1316 7.013,1318 8.713,1320 10.461,1323 28.564,1324 66.952,1340 24.118,1341 43.689,1342 69.773,1343 81.482,1344 98.702,1345 106.211,1346 106.211,1347 131.489,1348 6.748,1349 34.14,1350 34.14,1351 12,1352 12.77,1353 3.907,1354 3.17,1355 54.597,1356 83,1357 70,1358 0.338,1359 162.505,1360 307.1,1361 388.272,1362 5959,1363 38.5,1364 20.083,1365 0.772,1366 0.591,1367 18.232,1368 15.376,1369 11.928,1370 0.442,1371 0.294,1372 6.043,1373 9.971,1374 5.862,1375 4.673,1376 11.301,1377 7.938,1378 11.464,1379 0.273,1380 0.153,1381 10.656,1382 6.438,1383 11.107,1384 0.185,1385 0.089,1386 11.183,1387 5.357,1388 7.849,1389 0.109,1390 0.044,1391 7.946,1392 3.146,1393 5.381,1394 0.064,1395 0.022,1396 5.543,1397 1.807,1398 0.507,1399 92.931,1400 0.255,1401 24.131,1402 1.004,1403 138,1404 891.044,1405 238.959,1406 865.192,1407 1044.42,1408 786,1409 171,1410 586.253,1411 281.033,1412 608.899,1413 917.84,1414 568,1415 4}
{0 CHEMBL196116,1 1.499,2 7.455,3 2.268,4 5.142,5 82.944,6 7.35,7 0.458,8 3.825,9 3.916,10 3.387,11 3.3,12 4.942,13 3.305,14 4.38,15 4.527,16 3.76,17 3.657,18 5.422,19 3.671,20 4.504,21 4.617,22 3.998,23 3.871,24 5.618,25 3.883,26 4.727,27 4.863,28 4.038,29 3.993,30 5.819,31 3.98,32 4.872,33 5.064,34 3.871,35 4.01,36 5.884,37 3.934,38 4.788,39 5.032,40 3.487,41 3.859,42 5.681,43 3.698,44 4.589,45 4.887,46 3.081,47 3.519,48 5.389,49 3.324,50 4.121,51 4.382,52 2.622,53 3.023,54 5.006,55 2.867,56 0.038,57 0.538,58 8.664,59 4.067,60 10.208,61 4.915,62 0.44,63 0.835,64 17.882,65 6.246,66 28.562,67 7.564,68 0.394,69 1.009,70 18.756,71 7.442,72 26.456,73 9.04,74 0.435,75 1.224,76 24.245,77 9.07,78 34.51,79 11.176,80 0.668,81 1.355,82 30.018,83 10.265,84 50.976,85 13.388,86 0.532,87 1.218,88 28.385,89 10.241,90 44.909,91 14.266,92 0.467,93 0.95,94 24.794,95 8.083,96 39.81,97 11.912,98 0.32,99 0.572,100 15.395,101 4.689,102 29.933,103 6.48,104 34,105 35,106 0.266,107 0.612,108 0.776,109 0.829,110 0.838,111 0.864,112 3.149,113 0.879,114 -2.88,115 -2.89,116 -2.79,121 41.5,123 1,126 3,127 1,133 1,136 1,137 1,144 2,145 3,146 2,147 1,148 1,176 6,179 1,180 7,187 5,191 3,192 11,200 3,205 1,206 10,214 3,218 2,219 6,227 5,231 2,232 1,239 4,243 1,244 2,251 2,256 2,269 1,281 536,282 15.317,283 15.317,284 15.317,285 15.317,286 15.317,287 13.946,288 17.396,289 8.685,290 15.758,291 11.544,292 11.544,293 11.544,294 11.544,295 11.544,296 9.266,297 20.039,298 3.617,299 12.076,300 3.858,301 1.911,302 0.989,303 0.689,304 0.641,305 0.494,306 3.828,310 1,311 1,312 1,313 342,314 3.317,318 119.026,322 204.744,324 85.718,325 1.223,326 21.911,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 48.5,338 164,339 4.831,340 4.104,341 7.737,342 4.575,343 3.589,344 4.694,345 1.902,346 14.409,347 3.538,348 4.357,349 3.393,350 6.841,351 4.079,352 3.104,353 3.699,354 0.869,355 11.332,356 3.03,357 3.864,358 2.728,359 6.095,360 3.457,361 2.498,362 3.285,363 0.86,364 8.619,365 2.384,366 3.481,367 2.497,368 5.372,369 3.099,370 2.133,371 2.802,372 0.86,373 6.651,374 2.055,375 3.019,376 2.023,377 5.021,378 2.573,379 1.633,380 2.211,381 0.22,382 4.963,383 1.529,384 2.733,385 1.792,386 4.032,387 2.273,388 1.331,389 1.802,391 3.123,392 1.249,393 2.642,394 1.623,395 3.847,396 2.163,397 1.198,398 1.511,400 2.614,401 1.154,402 2.207,403 1.473,404 3.61,405 1.977,406 1.089,407 1.187,409 1.945,410 0.953,411 1.718,412 1.226,413 3.44,414 1.476,415 0.6,416 0.642,418 1.062,419 0.519,420 1.538,421 0.996,422 3.255,423 1.253,424 0.39,425 0.434,427 0.576,428 0.333,429 1.351,430 0.625,431 2.83,432 1.058,433 0.168,434 0.192,436 0.245,437 0.148,438 1.055,439 0.129,440 2.521,441 0.654,442 -0.299,443 -0.375,445 -0.578,446 -0.281,447 0.95,448 -0.069,449 2.416,450 0.541,451 -0.402,452 -0.514,454 -0.895,455 -0.373,456 0.682,457 -0.345,458 2.322,459 0.32,460 -0.633,461 -0.785,463 -1.265,464 -0.6,465 0.578,466 -0.437,467 2.216,468 0.223,469 -0.737,470 -0.95,472 -1.762,473 -0.708,474 10.233,475 0.465,476 0.47,477 0.021,478 26.5,479 1.205,480 12,481 0.545,482 14.5,483 0.659,484 18.208,485 0.828,486 24.567,487 0.599,488 20.486,489 0.931,490 5.703,491 0.259,492 4.999,493 0.227,494 0.195,495 0.049,496 0.293,501 0.878,502 1.38,503 0.767,504 1.28,505 0.954,506 1.046,507 1.455,508 0.78,509 0.844,510 0.671,511 1.29,512 0.633,513 1.066,514 1.082,515 0.808,516 1.005,517 0.926,518 0.878,519 1.27,520 1.269,521 1.059,522 1.18,523 1.03,524 1.09,525 1.21,526 1.06,527 1.22,528 1.085,529 1.156,530 1.137,531 0.721,532 1.091,533 1.109,534 1.163,535 0.919,536 1.214,537 0.629,538 0.87,539 0.9,540 0.913,541 0.742,542 0.954,543 1.288,544 0.909,545 1.241,546 0.98,547 1.247,548 1.077,549 4.5,551 3.333,552 2.313,553 2.142,554 1.021,555 0.646,556 0.307,557 0.094,558 0.02,559 3796,560 10454,561 2.032,562 46.3,564 16,566 1,570 2,572 1.656,573 1.872,574 2.87,575 -0.762,576 1,577 1,579 1,582 61.462,583 1.499,584 3.446,585 4.369,586 4.668,587 4.717,588 4.863,589 2.482,590 4.096,591 4.428,592 2.947,593 680.825,594 7.667,595 7030.77,596 1,597 1,599 1,600 219.66,601 1.661,602 4.366,603 0.188,605 0.095,606 0.053,607 0.049,608 0.029,609 0.029,610 0.022,611 0.012,612 0.005,613 0.481,614 0.5,615 1,616 1.3,617 96.836,618 -0.024,619 -0.23,620 0.082,621 -0.171,622 -0.102,623 -0.046,624 -0.117,625 0.256,626 0.151,627 0.326,628 -0.15,629 0.302,630 0.08,631 0.031,632 0.119,633 0.037,634 0.09,635 0.075,636 -0.098,637 -0.201,638 -0.112,639 -0.167,640 0.007,641 -0.147,642 -0.112,643 -0.044,644 -0.244,645 -0.12,646 -0.114,647 -0.194,648 0.05,649 -0.148,650 -0.154,651 -0.186,652 -0.048,653 -0.212,654 0.099,655 0.013,656 0.1,657 0.018,658 0.11,659 0.055,660 -0.195,661 -0.017,662 -0.203,663 -0.073,664 -0.132,665 -0.125,666 2.159,667 2.522,668 0.591,669 14.43,670 1.009,671 1.124,672 1.649,673 2.719,674 0.651,675 3.219,676 3.584,677 3.989,678 4.331,679 4.635,680 4.796,681 4.984,682 5.056,683 5.088,684 4.942,685 4.44,686 0.625,687 301.37,688 3.219,689 4.779,690 5.687,691 6.621,692 7.554,693 8.498,694 9.438,695 10.384,696 11.327,697 12.273,698 2.4,708 1,714 2,715 3,716 1,720 4,722 11,739 2,741 41,743 12,744 1,745 24,747 43,748 17,749 9,750 5,751 1,756 3,757 7,767 1,770 2,772 11,773 6,777 1,778 1,784 1,789 1,790 1,793 19,794 5,796 5,802 1,808 0.333,809 4,822 1,829 3,833 3,835 1,848 1,849 1,858 2,859 1,864 3,868 22,876 2,878 4,882 1,893 9.8,897 2,898 2,901 11.75,902 8.45,903 5.181,904 2.186,907 2.477,908 1.344,909 0.939,910 3.976,911 9.672,912 3.45,913 4.069,914 4.764,915 5.439,916 6.078,917 6.489,918 6.926,919 7.282,920 7.634,921 7.666,922 1,923 44,924 8.111,926 3.393,927 0.026,929 7.693,931 15.418,933 12.394,936 2.193,937 48.25,941 223.651,942 114.594,943 16.786,945 44,948 114.594,949 267.65,950 16.786,951 32.649,952 22.894,953 28.429,954 50.556,955 52.622,957 211.88,959 223.651,960 131.38,961 44,964 200.109,965 45.542,966 22,968 18.931,969 86.187,970 26.262,972 223.651,973 60.785,974 114.594,977 223.651,978 28.702,979 70.125,981 76.552,982 223.651,983 60.785,984 114.594,986 0.569,987 0.386,988 0.235,989 0.13,990 18,991 8,992 0.116,993 5,994 3,995 1.385,996 3.135,997 187.91,998 0.462,999 12,1000 98.107,1005 15.129,1006 5.782,1007 2.179,1008 2.015,1009 60.785,1010 5.644,1011 4.517,1015 3.026,1018 399.03,1019 30.5,1020 3.796,1026 1.774,1031 41.363,1032 46.073,1034 0.28,1035 0.643,1036 0.815,1037 0.871,1038 0.88,1039 0.908,1040 4.716,1041 1.089,1042 5.727,1043 2.614,1044 4.263,1045 4.754,1046 2.477,1047 6.706,1048 4.186,1049 5.954,1050 0.6,1051 7.397,1052 1.945,1053 4.111,1054 4.783,1055 1.391,1056 8.182,1057 4.06,1058 7.319,1059 0.39,1060 9.185,1061 1.062,1062 6.057,1063 7.078,1064 3.132,1065 11.303,1066 5.949,1067 8.73,1068 0.168,1069 11.046,1070 0.576,1071 6.77,1072 7.949,1073 2.893,1074 13.567,1075 6.676,1076 10.179,1077 -0.299,1078 12.953,1079 0.245,1080 8.223,1081 9.757,1082 4.128,1083 16.32,1084 8.097,1085 11.652,1086 -0.402,1087 14.892,1088 -0.578,1089 9.275,1090 10.995,1091 4.317,1092 18.841,1093 9.15,1094 13.144,1095 -0.633,1096 16.851,1097 -0.895,1098 10.579,1099 12.629,1100 5.284,1101 21.512,1102 10.435,1103 3.589,1104 -0.737,1105 18.827,1106 -1.265,1107 11.759,1108 14.034,1109 5.681,1110 24.12,1111 11.608,1112 3.104,1113 14.409,1114 20.815,1115 -1.762,1116 13.024,1117 15.605,1118 6.507,1119 26.776,1120 12.858,1121 2.498,1122 11.332,1123 22.813,1124 4.694,1125 14.253,1126 17.085,1127 7.011,1128 29.416,1129 14.076,1130 2.133,1131 8.619,1132 24.817,1133 3.699,1134 15.51,1135 18.635,1136 7.76,1137 32.072,1138 15.32,1139 1.633,1140 6.651,1141 26.828,1142 3.285,1143 16.759,1144 20.149,1145 8.322,1146 34.725,1147 16.557,1148 1.331,1149 4.963,1150 28.845,1151 2.802,1152 18.019,1153 21.693,1154 9.027,1155 37.385,1156 17.805,1157 1.198,1158 3.123,1159 30.865,1160 2.211,1161 19.278,1162 23.223,1163 9.622,1164 40.045,1165 19.051,1166 3897,1167 6544,1168 15.603,1169 26.676,1170 35.525,1171 36.782,1172 40.168,1173 35.246,1174 35.465,1175 44.918,1176 9.422,1177 111.077,1178 33.786,1179 5.745,1180 6.104,1181 7.454,1182 5.622,1183 5.589,1184 7.694,1185 3.369,1186 22.612,1187 5.538,1188 11.494,1189 1.48,1190 1.533,1191 1.674,1192 1.469,1193 1.478,1194 1.872,1195 0.393,1196 4.628,1197 1.408,1198 4.129,1199 4.14,1200 4.103,1201 4.054,1202 5.064,1203 4.064,1204 3.674,1205 3.703,1206 3.591,1207 3.534,1208 4.796,1209 3.537,1210 3.504,1211 3.539,1212 3.425,1213 3.334,1214 4.687,1215 3.351,1216 3.364,1217 3.408,1218 3.229,1219 3.182,1220 4.593,1221 3.19,1222 3.249,1223 3.315,1224 3.055,1225 2.96,1226 4.491,1227 2.968,1228 3.185,1229 3.262,1230 2.966,1231 2.899,1232 4.26,1233 2.897,1234 3.057,1235 3.143,1236 2.851,1237 2.822,1238 4.034,1239 2.811,1240 2.808,1241 2.902,1242 2.579,1243 2.645,1244 3.587,1245 2.616,1246 0.201,1247 0.171,1248 0.322,1249 0.191,1250 0.15,1251 4.831,1252 0.196,1253 4.104,1254 0.079,1255 7.737,1256 0.6,1257 4.575,1258 0.147,1259 3.589,1260 4.694,1261 1.902,1262 14.409,1263 3.538,1264 2.073,1265 2.063,1266 2.125,1267 2.164,1268 1.346,1269 2.151,1270 1.642,1271 1.605,1272 1.844,1273 1.813,1274 0.991,1275 1.818,1276 1.436,1277 1.403,1278 1.635,1279 1.656,1280 0.714,1281 1.648,1282 1.318,1283 1.277,1284 1.594,1285 1.563,1286 0.61,1287 1.574,1288 1.195,1289 1.12,1290 1.576,1291 1.522,1292 0.574,1293 1.539,1294 1.152,1295 1.066,1296 1.515,1297 1.451,1298 0.569,1299 1.475,1300 1.055,1301 0.966,1302 1.355,1303 1.296,1304 0.408,1305 1.323,1306 0.846,1307 0.759,1308 1.213,1309 1.075,1310 0.242,1311 1.129,1312 3.892,1314 5.242,1316 6.849,1318 8.577,1320 10.367,1322 4.868,1328 0.876,1330 22.642,1334 -0.909,1340 25.622,1341 61.462,1342 141.289,1343 179.13,1344 191.395,1345 193.395,1346 199.395,1347 33.882,1348 7.194,1349 49.81,1350 49.81,1351 18,1352 12.765,1353 3.7,1354 2.907,1355 34.033,1356 59,1357 62,1358 0.309,1359 156.875,1360 274.1,1361 374.535,1362 10491,1364 15.742,1365 0.716,1366 0.591,1367 15.742,1368 13.011,1369 10.702,1370 0.446,1371 0.293,1372 6.86,1373 10.073,1374 6.595,1375 5.508,1376 10.702,1377 7.035,1378 9.019,1379 0.258,1380 0.145,1381 9.019,1382 5.087,1383 8.564,1384 0.162,1385 0.076,1386 8.564,1387 4.047,1388 7.725,1389 0.103,1390 0.04,1391 7.725,1392 3.027,1393 6.524,1394 0.064,1395 0.021,1396 6.524,1397 2.148,1398 0.449,1399 68.812,1400 0.253,1401 20.619,1402 0.969,1403 118,1404 382.587,1405 133.449,1406 349.29,1407 482.21,1408 332,1409 147,1410 351.556,1411 164.004,1412 355.845,1413 533.68,1414 330,1415 4}
{0 CHEMBL197696,1 1.589,2 13,3 3.712,4 13.78,5 115.489,6 7.482,7 0.375,8 4.101,9 4.211,10 3.665,11 3.576,12 5.259,13 3.571,14 4.638,15 4.811,16 4.001,17 3.949,18 5.858,19 3.929,20 4.876,21 5.046,22 4.122,23 4.169,24 5.972,25 4.123,26 5.072,27 5.288,28 4.019,29 4.192,30 6.142,31 4.106,32 4.979,33 5.206,34 3.906,35 4.14,36 5.951,37 4.025,38 4.955,39 5.202,40 3.826,41 4.01,42 5.934,43 3.892,44 4.779,45 5.027,46 3.762,47 3.914,48 5.69,49 3.826,50 4.695,51 4.876,52 3.814,53 3.948,54 5.808,55 3.875,56 0.148,57 0.778,58 11.181,59 4.985,60 9.761,61 6.442,62 0.583,63 1.205,64 22.106,65 7.738,66 59.162,67 10.448,68 0.36,69 1.49,70 27.575,71 10.853,72 37.741,73 14.195,74 0.794,75 1.622,76 37.386,77 12.556,78 93.523,79 16.836,80 0.488,81 1.533,82 33.003,83 12.329,84 63.498,85 17.074,86 0.743,87 1.399,88 34.104,89 11.568,90 73.574,91 16.381,92 0.494,93 1.238,94 28.265,95 9.425,96 51.497,97 13.343,98 0.577,99 1.221,100 23.912,101 8.733,102 55.506,103 11.519,104 43,105 44,106 0.262,107 0.591,108 0.758,109 0.83,110 0.838,111 0.838,112 3.44,113 0.902,114 -4.09,115 -4.03,116 -3.82,121 40,123 1,126 3,127 2,129 1,137 2,144 7,145 2,146 3,161 1,168 2,176 8,179 4,180 10,187 10,192 13,200 9,205 1,206 13,214 8,218 1,219 7,227 3,231 3,232 11,239 2,244 5,251 6,255 3,256 4,264 12,268 1,269 1,277 8,281 1678,282 19.775,283 19.775,284 19.775,285 19.775,286 19.775,287 17.735,288 28.25,289 11.602,290 20.295,291 15.74,292 15.74,293 15.74,294 15.74,295 15.74,296 12.591,297 34.222,298 5.458,299 16.526,300 4.192,301 2.199,302 1.181,303 0.746,304 0.696,305 0.696,306 4.121,311 1,312 1,313 812,314 4.062,318 175.734,319 96.858,323 150.23,325 2.133,326 33.833,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 66.5,338 390,339 4.394,340 3.778,341 6.667,342 4.099,343 3.122,344 3.999,345 2.612,346 10.722,347 3.056,348 4.255,349 3.763,350 5.929,351 3.751,352 2.784,353 3.951,354 2.208,355 8.227,356 2.69,357 3.939,358 3.394,359 5.841,360 3.652,361 2.726,362 3.236,363 0.995,364 8.053,365 2.509,366 3.774,367 2.87,368 5.677,369 3.413,370 2.46,371 3.174,372 0.86,373 7.372,374 2.333,375 3.652,376 2.756,377 5.298,378 3.297,379 2.362,380 2.831,381 0.655,382 6.786,383 2.201,384 3.321,385 2.368,386 5.136,387 2.986,388 2.04,389 2.479,390 0.359,391 6.046,392 1.925,393 3.151,394 2.11,395 4.594,396 2.801,397 1.821,398 2.254,399 0.13,400 4.683,401 1.778,402 2.964,403 2.025,404 3.906,405 2.384,406 1.427,407 2.076,409 3.284,410 1.357,411 2.586,412 1.972,413 3.784,414 2.2,415 1.213,416 1.58,418 2.919,419 1.195,420 2.5,421 1.545,422 3.533,423 2.014,424 1.059,425 1.5,427 2.415,428 1,429 2.381,430 1.227,431 3.414,432 2,433 1,434 1.304,436 2.278,437 0.999,438 2.314,439 1,440 3.401,441 1.977,442 1,443 1.212,445 2.275,446 0.966,447 1.78,448 1,449 3.103,450 1.488,451 0.55,452 0.639,454 1.323,455 0.511,456 1.336,457 0.975,458 2.771,459 1.034,460 0.065,461 0.077,463 0.161,464 0.063,465 1.087,466 0.677,467 2.578,468 0.823,469 -0.14,470 -0.166,472 -0.345,473 -0.134,474 13.867,475 0.462,476 0.826,477 0.028,478 38.5,479 1.283,480 19,481 0.633,482 19.5,483 0.65,484 24.425,485 0.814,486 33.533,487 0.61,488 31.949,489 1.065,490 7.983,491 0.266,492 6.363,493 0.212,494 0.18,496 0.339,501 0.588,502 1.427,503 0.748,504 1.221,505 0.521,506 1.055,507 0.758,508 0.887,509 0.832,510 0.839,511 0.406,512 0.828,513 0.924,514 1.216,515 0.973,516 1.202,517 0.564,518 1.114,519 1.183,520 0.941,521 1.113,522 0.979,523 1.061,524 1.029,525 0.72,526 1.116,527 1.009,528 1.201,529 0.73,530 1.179,531 0.721,532 0.997,533 0.901,534 1.037,535 0.43,536 1.023,537 0.862,538 0.854,539 0.833,540 0.813,541 0.53,542 0.814,543 0.982,544 1.019,545 1.165,546 1.064,547 1.075,548 1.143,549 6.5,550 0.203,551 3.778,552 2.063,553 1.576,554 0.91,555 0.719,556 0.492,557 0.303,558 0.293,559 11891,560 37769,561 1.993,562 45.5,564 23,570 2,572 1.726,573 1.837,574 3.617,575 -0.726,577 1,582 87.406,583 1.589,584 3.583,585 4.601,586 5.036,587 5.086,588 5.086,589 3.099,590 4.482,591 4.872,592 3.839,593 1670.08,594 8.492,595 23938,597 1,599 1,600 317.975,601 1.506,602 4.82,603 0.203,604 0.009,605 0.086,606 0.042,607 0.038,608 0.025,609 0.022,610 0.014,611 0.009,612 0.01,613 0.457,614 0.33,615 1,616 1.216,617 156.364,618 0.12,619 -0.19,620 0.072,621 -0.106,622 -0.007,623 -0.051,624 0.142,625 0.253,626 0.088,627 0.171,628 0.224,629 0.137,630 -0.088,631 -0.141,632 -0.072,633 -0.141,634 0.034,635 -0.106,636 -0.159,637 0.018,638 -0.128,639 0.014,640 -0.102,641 -0.042,642 0.003,643 -0.144,644 -0.075,645 -0.169,646 -0.038,647 -0.145,648 0.139,649 -0.093,650 0.087,651 -0.043,652 0.095,653 -0.002,654 -0.056,655 0.098,656 0.143,657 0.177,658 0.014,659 0.202,660 -0.06,661 0.05,662 -0.239,663 -0.039,664 -0.157,665 -0.16,666 2.432,667 4.823,668 0.567,669 35.516,670 1.012,671 1.129,672 2.855,673 8.154,674 0.648,675 3.497,676 3.807,677 4.025,678 4.205,679 4.431,680 4.543,681 4.635,682 4.7,683 4.779,684 4.868,685 7.587,686 0.626,687 411.5,688 3.497,689 5.03,690 5.861,691 6.72,692 7.57,693 8.433,694 9.291,695 10.157,696 11.019,697 11.888,698 5.5,701 1,705 1,709 1,715 7,720 5,722 12,735 1,737 1,739 1,741 55,743 16,744 2,745 32,747 57,748 22,749 12,750 5,751 7,752 2,756 3,757 4,767 1,770 2,772 15,773 7,777 4,779 1,782 3,784 2,786 1,790 1,793 25,794 7,796 8,802 3,808 0.667,809 5,829 2,830 1,834 1,849 2,855 1,859 2,864 3,868 30,876 3,878 2,880 1,881 2,893 9.1,896 1,898 2,899 2,901 16.333,902 10.767,903 6.639,904 3.107,907 2.813,908 1.373,909 0.933,910 7.214,911 10.344,912 3.761,913 4.304,914 4.775,915 5.251,916 5.764,917 5.997,918 6.25,919 6.364,920 6.547,921 6.801,922 0.889,923 49,924 11.069,926 4.601,927 0.026,929 7.961,931 20.773,933 16.442,936 2.461,937 73.833,939 1,940 1,941 294.278,942 146.085,943 11.919,945 97.892,948 146.085,949 392.169,950 11.919,951 30.859,952 12.357,953 85.286,954 25.145,955 44.739,956 6.763,957 294.278,958 50.747,959 294.278,960 158.004,961 97.892,964 270.735,965 70.687,966 50.747,968 15.481,969 117.9,970 24.623,972 294.278,973 109.81,974 146.085,977 294.278,978 35.61,979 122.394,981 97.892,982 294.278,983 109.81,984 146.085,986 0.584,987 0.334,988 0.16,989 0.088,990 19,991 10,992 0.123,993 7,994 1,995 1.118,996 4.093,997 254.062,998 0.118,999 17,1000 139.207,1005 21.969,1006 9.851,1007 5.674,1009 104.14,1010 11.738,1015 3.271,1018 550.173,1019 42,1021 -0.432,1024 33.338,1026 4.115,1028 -0.419,1031 55.662,1032 62.109,1034 0.275,1035 0.62,1036 0.796,1037 0.871,1038 0.88,1039 0.88,1040 4.997,1041 1.427,1042 5.849,1043 4.683,1044 4.489,1045 4.99,1046 3.215,1047 6.629,1048 4.399,1049 6.191,1050 1.213,1051 7.401,1052 3.284,1053 4.111,1054 4.808,1055 2.792,1056 7.503,1057 3.965,1058 7.486,1059 1.059,1060 9.051,1061 2.919,1062 6.061,1063 7.1,1064 4.598,1065 10.553,1066 5.888,1067 8.813,1068 1,1069 10.757,1070 2.415,1071 6.463,1072 7.696,1073 4.859,1074 12.243,1075 6.24,1076 10.168,1077 1,1078 12.499,1079 2.278,1080 7.903,1081 9.498,1082 6.265,1083 14.823,1084 7.66,1085 11.542,1086 0.55,1087 14.265,1088 2.275,1089 8.66,1090 10.455,1091 6.822,1092 16.873,1093 8.38,1094 12.931,1095 0.065,1096 16.05,1097 1.323,1098 9.894,1099 12.049,1100 8.028,1101 19.299,1102 9.597,1103 3.122,1104 -0.14,1105 17.848,1106 0.161,1107 10.826,1108 13.193,1109 8.746,1110 21.519,1111 10.501,1112 2.784,1113 10.722,1114 19.659,1115 -0.345,1116 11.976,1117 14.687,1118 9.841,1119 23.897,1120 11.636,1121 2.726,1122 8.227,1123 21.478,1124 3.999,1125 12.995,1126 15.932,1127 10.654,1128 26.196,1129 12.634,1130 2.46,1131 8.053,1132 23.307,1133 3.951,1134 14.113,1135 17.374,1136 11.689,1137 28.562,1138 13.739,1139 2.362,1140 7.372,1141 25.142,1142 3.236,1143 15.178,1144 18.677,1145 12.558,1146 30.899,1147 14.786,1148 2.04,1149 6.786,1150 26.985,1151 3.174,1152 16.287,1153 20.09,1154 13.559,1155 33.264,1156 15.882,1157 1.821,1158 6.046,1159 28.833,1160 2.831,1161 17.376,1162 21.425,1163 14.463,1164 35.618,1165 16.956,1166 11774,1167 21163,1168 20.69,1169 35.665,1170 47.942,1171 49.794,1172 49.109,1173 47.328,1174 47.258,1175 60.624,1176 15.638,1177 133.087,1178 45.166,1179 5.32,1180 5.778,1181 6.209,1182 5.161,1183 5.122,1184 6.999,1185 4.612,1186 17.813,1187 5.056,1188 18.354,1189 1.498,1190 1.556,1191 1.535,1192 1.479,1193 1.477,1194 1.895,1195 0.489,1196 4.159,1197 1.411,1198 4.032,1199 4.06,1200 3.979,1201 3.948,1202 7.815,1203 3.949,1204 3.965,1205 3.988,1206 3.926,1207 3.839,1208 7.433,1209 3.85,1210 3.676,1211 3.726,1212 3.596,1213 3.469,1214 6.999,1215 3.482,1216 3.577,1217 3.638,1218 3.505,1219 3.346,1220 4.853,1221 3.352,1222 3.524,1223 3.566,1224 3.429,1225 3.32,1226 4.802,1227 3.333,1228 3.41,1229 3.451,1230 3.291,1231 3.06,1232 4.432,1233 3.141,1234 3.199,1235 3.282,1236 3.023,1237 2.96,1238 4.283,1239 2.971,1240 3.041,1241 3.06,1242 2.913,1243 2.786,1244 4.218,1245 2.809,1246 0.137,1247 0.118,1248 0.208,1249 0.128,1250 0.098,1251 4.394,1252 0.125,1253 3.778,1254 0.082,1255 6.667,1256 0.335,1257 4.099,1258 0.096,1259 3.122,1260 3.999,1261 2.612,1262 10.722,1263 3.056,1264 1.941,1265 1.922,1266 2.04,1267 2.082,1268 1.309,1269 2.048,1270 1.899,1271 1.877,1272 1.993,1273 2.023,1274 1.088,1275 2.018,1276 1.687,1277 1.626,1278 1.89,1279 1.887,1280 1.057,1281 1.889,1282 1.525,1283 1.46,1284 1.785,1285 1.814,1286 0.897,1287 1.806,1288 1.433,1289 1.374,1290 1.685,1291 1.705,1292 0.833,1293 1.668,1294 1.228,1295 1.182,1296 1.535,1297 1.565,1298 0.603,1299 1.517,1300 1.147,1301 1.088,1302 1.417,1303 1.437,1304 0.469,1305 1.465,1306 0.934,1307 0.891,1308 1.252,1309 1.239,1310 0.398,1311 1.308,1312 4.174,1314 5.485,1316 6.973,1317 2.708,1318 8.541,1319 5.293,1320 10.154,1322 5.333,1328 1.978,1330 11.183,1332 0.117,1333 3.612,1340 34.433,1341 87.406,1342 197.039,1343 253.039,1344 276.955,1345 279.71,1346 279.71,1347 64.76,1348 7.532,1349 87.83,1350 87.83,1351 19,1352 12.433,1353 4.087,1354 3.459,1355 55.48,1356 132,1357 142,1358 0.199,1359 213.639,1360 383.47,1361 513.04,1362 20392,1364 21.673,1365 0.722,1366 0.576,1367 21.673,1368 17.278,1369 14.346,1370 0.448,1371 0.301,1372 9.43,1373 13.554,1374 9.126,1375 7.632,1376 14.346,1377 9.62,1378 13.088,1379 0.297,1380 0.166,1381 13.088,1382 7.299,1383 10.492,1384 0.191,1385 0.089,1386 10.492,1387 4.918,1388 7.915,1389 0.12,1390 0.05,1391 7.915,1392 3.295,1393 6.387,1394 0.077,1395 0.027,1396 6.387,1397 2.252,1398 0.318,1399 91.682,1400 0.22,1401 28.72,1402 0.53,1403 152,1404 525.613,1405 172.303,1406 493.058,1407 652.13,1408 456,1409 175,1410 471.954,1411 194.784,1412 470.563,1413 676.41,1414 436,1415 7.854}
{0 CHEMBL1994202,1 1.399,2 7.3,3 4.044,4 16.357,5 83.838,6 7.698,7 0.478,8 3.715,9 3.834,10 3.329,11 3.378,12 4.711,13 3.322,14 4.289,15 4.451,16 3.774,17 3.851,18 5.208,19 3.77,20 4.621,21 4.815,22 3.881,23 4.047,24 5.524,25 3.933,26 4.713,27 4.962,28 3.793,29 3.977,30 5.599,31 3.84,32 4.597,33 4.853,34 3.527,35 3.834,36 5.459,37 3.673,38 4.483,39 4.779,40 3.411,41 3.651,42 5.262,43 3.455,44 4.142,45 4.395,46 3.005,47 3.369,48 4.997,49 3.152,50 3.826,51 4.129,52 2.773,53 2.966,54 4.57,55 2.706,56 0.035,57 0.509,58 7.43,59 3.406,60 6.55,61 4.693,62 0.052,63 0.878,64 14.641,65 6.551,66 10.061,67 9.066,68 0.124,69 1.208,70 23.259,71 9.077,72 19.867,73 12.543,74 0.234,75 1.319,76 27.096,77 9.852,78 31.119,79 13.882,80 0.204,81 1.19,82 23.247,83 8.276,84 28.549,85 11.682,86 0.166,87 0.957,88 23.659,89 8.76,90 26.07,91 12.353,92 0.156,93 0.668,94 19.424,95 5.989,96 23.156,97 8.086,98 0.09,99 0.435,100 15.378,101 4.965,102 13.163,103 6.728,104 10,105 35,106 0.253,107 0.663,108 0.826,109 0.878,110 0.878,111 0.878,112 3.061,113 0.984,114 -4.87,115 -4.78,116 -4.49,121 45.9,122 1,123 3,124 2,137 1,138 1,144 3,145 2,146 2,148 2,165 1,166 1,167 1,176 11,180 4,185 2,187 19,189 2,192 3,197 2,200 13,203 2,206 5,208 1,209 1,211 5,214 13,216 5,219 1,224 2,227 8,229 2,232 1,237 3,239 12,241 3,251 7,264 6,277 1,281 364,282 13.411,283 13.411,284 13.411,285 13.411,286 13.411,287 11.787,288 13.481,289 7.587,290 13.613,291 11.383,292 11.383,293 11.383,294 11.383,295 11.383,296 8.897,297 11.786,298 3.662,299 11.773,300 3.81,301 1.535,302 0.635,303 0.345,304 0.345,305 0.345,306 3.759,308 1,310 1,311 1,312 1,313 327,314 2.121,318 122.588,320 41.242,322 99.424,324 60.137,325 1.23,326 13.868,328 1,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 41.333,338 146,339 4.673,340 3.492,341 6.939,342 4.287,343 3.302,344 4.585,345 0.68,346 11.686,347 3.253,348 4.143,349 3.058,350 6.232,351 3.822,352 2.836,353 3.62,355 9.285,356 2.796,357 3.805,358 2.843,359 5.533,360 3.403,361 2.433,362 3.122,364 7.367,365 2.362,366 3.543,367 2.523,368 5.363,369 3.178,370 2.201,371 2.908,373 6.745,374 2.151,375 3.398,376 2.456,377 5.096,378 3,379 2.081,380 2.716,382 6.046,383 1.86,384 3.009,385 2.065,386 4.801,387 2.811,388 1.837,389 2.045,391 5.249,392 1.772,393 2.87,394 1.798,395 4.657,396 2.6,397 1.626,398 1.902,400 4.78,401 1.548,402 2.49,403 1.208,404 3.953,405 2.074,406 1.096,407 1.485,409 2.875,410 1.058,411 1.431,412 0.552,413 3.306,414 1.16,415 0.182,416 0.21,418 0.534,419 0.173,420 1.339,421 0.282,422 3,423 0.95,429 1.03,430 0.119,431 2.668,432 0.663,433 -0.245,434 -0.293,436 -0.613,437 -0.18,438 0.687,439 0.009,440 2.491,441 0.567,442 -0.399,443 -0.418,445 -1.016,446 -0.385,447 0.623,448 -0.524,449 2.343,450 0.251,451 -0.688,452 -0.856,454 -1.966,455 -0.619,456 0.352,457 -0.605,458 2.194,459 0.082,460 -0.912,461 -1.011,463 -2.74,464 -0.902,465 0.156,466 -0.918,467 1.916,468 -0.159,469 -1.123,470 -1.48,472 -3.102,473 -0.959,474 10.014,475 0.501,476 0.644,477 0.032,478 24,479 1.2,480 11.5,481 0.575,482 12.5,483 0.625,484 18.457,485 0.923,486 20.586,487 0.556,488 13.956,489 0.698,490 4.099,491 0.205,492 5.515,493 0.276,494 0.161,496 0.449,501 0.755,502 0.972,503 0.634,504 0.802,505 0.923,506 0.819,507 0.563,508 1.074,509 0.624,510 0.889,511 0.475,512 0.875,513 0.901,514 1.216,515 0.922,516 1.099,517 0.865,518 1.085,519 0.751,520 1.1,521 0.755,522 0.979,523 0.794,524 0.977,525 1.192,526 1.01,527 0.866,528 0.954,529 1.38,530 1.063,531 0.45,532 0.866,533 0.631,534 0.832,535 0.487,536 0.833,537 1.626,538 0.922,539 1.581,540 1.201,541 1.694,542 1.224,543 1.056,544 0.752,545 1.232,546 0.918,547 0.893,548 0.883,549 5,551 2,552 2.188,553 1.622,554 0.819,555 0.322,556 0.252,557 0.07,558 0.051,559 3521,560 8183,561 2.163,562 45.9,563 9,564 4,567 2,568 2,572 1.623,573 2,574 2.862,575 0.262,577 1,582 51.776,583 1.399,584 3.674,585 4.574,586 4.865,587 4.865,588 4.865,589 2.461,590 3.546,591 4.297,592 2.934,593 557.498,594 7.366,595 5317.92,597 1,598 1,599 1,600 192.75,601 1.458,602 4.245,603 0.217,605 0.057,606 0.059,607 0.051,608 0.036,609 0.017,610 0.023,611 0.01,612 0.026,613 0.495,614 0.83,615 1,616 0.627,617 85.244,618 -0.069,619 0.128,620 0.018,621 0.103,622 -0.11,623 0.09,624 0.058,625 -0.049,626 0.085,627 0.048,628 0.144,629 0.071,630 -0.058,631 -0.198,632 -0.099,633 -0.163,634 -0.053,635 -0.144,636 0.141,637 -0.089,638 0.039,639 -0.052,640 0.151,641 -0.027,642 -0.214,643 0.046,644 -0.114,645 -0.055,646 -0.259,647 -0.139,648 0.256,649 0.029,650 0.249,651 0.164,652 0.297,653 0.188,654 -0.311,655 0.017,656 -0.306,657 -0.187,658 -0.42,659 -0.24,660 0.085,661 0.048,662 0.179,663 0.183,664 0.088,665 0.191,666 0.948,667 2.468,668 0.85,669 10.84,670 0.989,671 1.115,672 3.644,673 13.278,674 0.702,675 3.178,676 3.584,677 3.912,678 4.29,679 4.605,680 4.804,681 4.942,682 5.153,683 5.182,684 5.257,685 4.302,686 0.651,687 284.81,688 3.178,689 4.762,690 5.652,691 6.581,692 7.487,693 8.421,694 9.334,695 10.27,696 11.185,697 12.123,698 5.4,702 1,708 1,714 2,715 3,716 1,720 4,722 11,733 1,740 1,741 37,743 12,744 1,745 23,747 40,748 17,749 9,750 3,751 3,756 4,757 10,758 1,763 1,767 3,768 2,770 3,772 11,773 6,774 2,777 1,784 1,786 1,790 1,793 17,794 2,795 2,796 3,797 1,802 2,808 0.25,822 1,829 4,831 1,833 2,835 1,849 1,850 1,859 1,864 1,865 1,868 20,869 1,876 3,880 2,892 1,901 10,902 6.926,903 4.139,904 2.358,907 2.745,908 1.368,909 1.043,910 2.664,911 10.201,912 3.418,913 4.103,914 4.727,915 5.382,916 6.012,917 6.445,918 6.857,919 7.325,920 7.675,921 7.84,922 1,923 37,924 7.416,926 3.298,927 0.026,929 7.497,931 14.71,933 13.227,936 1.997,937 39.944,938 0.002,941 176.567,942 74.436,943 49.683,944 39.149,948 74.436,949 215.715,950 49.683,951 8.825,952 7.604,953 70.802,954 16.786,955 20.102,957 176.567,958 39.149,959 176.567,960 124.119,962 39.149,964 176.567,968 21.33,969 76.527,970 65.41,972 176.567,973 49.683,974 113.585,977 176.567,978 27.706,979 46.73,981 88.831,982 176.567,983 49.683,984 113.585,986 0.604,987 0.355,988 0.208,989 0.12,990 21,991 9,994 4,995 1.412,996 3.147,997 169.942,998 0.471,999 16,1000 86.439,1005 12.371,1006 4.308,1007 1.904,1008 1.966,1009 49.683,1010 5.808,1011 4.851,1015 4.113,1017 32.897,1018 339.834,1019 29.5,1026 2.416,1028 1.493,1031 36.596,1032 41.262,1034 0.269,1035 0.705,1036 0.878,1037 0.934,1038 0.934,1039 0.934,1040 4.707,1041 1.096,1042 5.68,1043 4.78,1044 4.263,1045 4.787,1046 0.655,1047 6.564,1048 4.205,1049 5.951,1050 0.182,1051 7.28,1052 2.875,1053 4.007,1054 4.783,1056 7.545,1057 3.904,1058 7.294,1060 8.974,1061 0.534,1062 5.927,1063 7.07,1064 0.356,1065 10.703,1066 5.837,1067 8.666,1068 -0.245,1069 10.721,1071 6.415,1072 7.846,1074 12.497,1075 6.296,1076 10.068,1077 -0.399,1078 12.504,1079 -0.613,1080 7.869,1081 9.67,1082 0.18,1083 15.199,1084 7.756,1085 11.491,1086 -0.688,1087 14.314,1088 -1.016,1089 8.721,1090 10.83,1092 17.365,1093 8.589,1094 12.932,1095 -0.912,1096 16.144,1097 -1.966,1098 9.994,1099 12.468,1100 0.087,1101 19.904,1102 9.86,1103 3.302,1104 -1.123,1105 17.991,1106 -2.74,1107 11.024,1108 13.819,1110 22.234,1111 10.873,1112 2.836,1113 11.686,1114 19.851,1115 -3.102,1116 12.229,1117 15.382,1118 0.041,1119 24.714,1120 12.071,1121 2.433,1122 9.285,1123 21.724,1124 4.585,1125 13.341,1126 16.824,1128 27.115,1129 13.169,1130 2.201,1131 7.367,1132 23.606,1133 3.62,1134 14.525,1135 18.358,1136 0.019,1137 29.575,1138 14.342,1139 2.081,1140 6.745,1141 25.497,1142 3.122,1143 15.676,1144 19.842,1146 32.006,1147 15.478,1148 1.837,1149 6.046,1150 27.394,1151 2.908,1152 16.856,1153 21.367,1154 0.009,1155 34.462,1156 16.645,1157 1.626,1158 5.249,1159 29.297,1160 2.716,1161 18.025,1162 22.87,1164 36.906,1165 17.799,1166 3338,1167 5194,1168 15.433,1169 25.961,1170 35.747,1171 35.891,1172 36.981,1173 35.372,1174 35.189,1175 45.184,1176 1.36,1177 109.137,1178 33.947,1179 5.626,1180 5.492,1181 6.224,1182 5.33,1183 5.302,1184 7.585,1185 1.36,1186 19.262,1187 5.253,1188 9.098,1189 1.554,1190 1.56,1191 1.608,1192 1.538,1193 1.53,1194 1.965,1195 0.059,1196 4.745,1197 1.476,1198 4.135,1199 4.163,1200 4.135,1201 4.07,1202 5.158,1203 4.071,1204 3.873,1205 3.907,1206 3.865,1207 3.813,1208 4.898,1209 3.802,1210 3.472,1211 3.517,1212 3.579,1213 3.389,1214 4.614,1215 3.381,1216 3.273,1217 3.345,1218 3.202,1219 3.14,1220 4.42,1221 3.127,1222 3.138,1223 3.217,1224 3.056,1225 2.989,1226 4.072,1227 2.973,1228 2.989,1229 3.074,1230 2.903,1231 2.836,1232 3.829,1233 2.829,1234 2.745,1235 2.844,1236 2.788,1237 2.603,1238 3.563,1239 2.583,1240 2.68,1241 2.784,1242 2.551,1243 2.448,1244 3.448,1245 2.439,1246 0.203,1247 0.152,1248 0.302,1249 0.186,1250 0.144,1251 4.673,1252 0.199,1253 3.492,1254 0.03,1255 6.939,1256 0.508,1257 4.287,1258 0.141,1259 3.302,1260 4.585,1261 0.68,1262 11.686,1263 3.253,1264 2.095,1265 2.071,1266 2.186,1267 2.179,1268 1.532,1269 2.183,1270 1.88,1271 1.85,1272 1.997,1273 1.967,1274 1.171,1275 1.985,1276 1.47,1277 1.428,1278 1.692,1279 1.607,1280 0.918,1281 1.639,1282 1.269,1283 1.21,1284 1.496,1285 1.464,1286 0.771,1287 1.478,1288 1.15,1289 1.076,1290 1.425,1291 1.357,1292 0.585,1293 1.396,1294 0.968,1295 0.904,1296 1.223,1297 1.209,1298 0.376,1299 1.22,1300 0.753,1301 0.676,1302 1.154,1303 1.003,1304 0.222,1305 1.063,1306 0.712,1307 0.598,1308 1.084,1309 0.99,1310 0.166,1311 1.031,1312 3.85,1314 5.231,1316 6.821,1318 8.518,1320 10.271,1322 2.231,1323 6.079,1326 6.468,1328 3.347,1332 1.172,1340 24.085,1341 51.776,1342 135.941,1343 169.24,1344 179.995,1345 179.995,1346 179.995,1347 25.657,1348 7.456,1349 38.91,1350 38.91,1351 24,1352 12.624,1353 3.7,1354 2.907,1355 26.016,1356 54,1357 50,1358 0.261,1359 148.624,1360 252.79,1361 354.402,1362 15563,1363 2.7,1364 13.853,1365 0.693,1366 0.612,1367 14.353,1368 12.244,1369 9.614,1370 0.418,1371 0.328,1372 7.169,1373 9.211,1374 6.909,1375 5.679,1376 9.903,1377 7.542,1378 9.448,1379 0.27,1380 0.189,1381 9.857,1382 6.598,1383 7.993,1384 0.163,1385 0.1,1386 8.255,1387 4.881,1388 7.551,1389 0.105,1390 0.057,1391 7.786,1392 4.095,1393 6.224,1394 0.063,1395 0.031,1396 6.456,1397 3.05,1398 0.384,1399 61.558,1400 0.255,1401 19.105,1402 0.797,1403 116,1404 245.161,1405 134.6,1406 280.14,1407 387.23,1408 262,1409 142,1410 274.525,1411 155.256,1412 294.045,1413 435.39,1414 278,1415 9.367}
{0 CHEMBL199670,1 1.342,2 16.343,3 6.541,4 42.789,5 143.746,6 6.601,7 0.538,8 4.33,9 4.467,10 3.801,11 3.907,12 5.282,13 3.852,14 4.905,15 5.097,16 4.129,17 4.326,18 5.793,19 4.232,20 5.215,21 5.472,22 4.176,23 4.449,24 6.025,25 4.323,26 5.208,27 5.462,28 4.096,29 4.411,30 6.034,31 4.275,32 5.196,33 5.459,34 3.981,35 4.376,36 5.982,37 4.219,38 5.193,39 5.468,40 3.893,41 4.349,42 5.938,43 4.17,44 5.174,45 5.462,46 3.802,47 4.272,48 5.935,49 4.081,50 5.065,51 5.358,52 3.672,53 4.154,54 5.827,55 3.959,56 0.08,57 1.024,58 16.439,59 6.838,60 9.337,61 9.711,62 0.213,63 1.707,64 29.959,65 11.987,66 21.645,67 17.314,68 0.314,69 2.149,70 42.049,71 15.494,72 37.253,73 22.834,74 0.388,75 2.139,76 42.04,77 14.82,78 42.625,79 21.949,80 0.386,81 2.068,82 41.589,83 14.998,84 41.324,85 22.064,86 0.303,87 2.001,88 41.222,89 15.699,90 37.125,91 22.934,92 0.357,93 1.894,94 40.733,95 15.459,96 44.562,97 22.508,98 0.368,99 1.682,100 36.636,101 13.921,102 45.714,103 20.167,104 2,105 52,106 0.209,107 0.521,108 0.698,109 0.847,110 0.899,111 0.903,112 3.587,113 1.02,114 -4.8,115 -4.71,116 -4.43,121 42.3,123 10,127 2,144 8,145 4,146 1,148 2,153 1,154 1,160 1,176 18,180 5,183 1,185 8,187 18,192 5,197 8,200 13,206 4,209 1,211 8,214 13,219 2,223 1,224 5,227 15,232 3,237 4,239 17,244 2,247 1,249 2,251 16,256 3,259 1,260 1,261 1,264 16,269 2,274 1,277 14,281 2340,282 24.518,283 24.518,284 24.518,285 24.518,286 24.518,287 21.919,288 20.06,289 15.086,290 24.72,291 19.334,292 19.334,293 19.334,294 19.334,295 19.334,296 15.295,297 18.383,298 7.211,299 19.646,300 4.807,301 2.8,302 1.659,303 0.697,304 0.366,305 0.338,306 4.303,312 1,313 1280,314 4.123,317 90.436,318 379.424,321 167.521,322 308.519,325 2.503,326 21.299,329 1,330 0.67,331 0.83,332 0.8,333 0.5,334 0.83,335 0.5,336 0.73,337 73,338 572,339 4.64,340 3.575,341 6.829,342 4.207,343 3.226,344 4.564,345 1.907,346 11.348,347 3.162,348 4.523,349 3.361,350 6.526,351 4.048,352 3.061,353 4.473,354 0.4,355 10.264,356 3.02,357 3.914,358 3.135,359 5.982,360 3.524,361 2.532,362 3.437,363 0.149,364 8.37,365 2.512,366 3.661,367 2.669,368 5.381,369 3.39,370 2.383,371 2.893,373 6.711,374 2.388,375 3.522,376 2.356,377 5.138,378 3.135,379 2.181,380 2.84,382 6.149,383 2.079,384 3.411,385 2.224,386 5.025,387 3.026,388 2.034,389 2.752,391 5.941,392 2.016,393 3.046,394 1.877,395 4.192,396 2.783,397 1.79,398 2.318,400 3.785,401 1.775,402 2.94,403 1.648,404 4.116,405 2.519,406 1.546,407 2.142,409 3.709,410 1.508,411 2.827,412 1.547,413 3.975,414 2.516,415 1.528,416 1.837,418 3.329,419 1.501,420 2.673,421 1.519,422 3.78,423 2.36,424 1.383,425 1.743,427 3.311,428 1.348,429 2.603,430 1.48,431 3.612,432 2.345,433 1.347,434 1.633,436 2.958,437 1.343,438 2.49,439 1.418,440 3.594,441 2.242,442 1.248,443 1.489,445 2.902,446 1.24,447 2.394,448 1.35,449 3.576,450 2.241,451 1.247,452 1.388,454 2.802,455 1.237,456 2.28,457 1.178,458 3.426,459 2.004,460 1.034,461 1.226,463 2.356,464 1,465 2.011,466 1.091,467 3.232,468 1.836,469 0.849,470 0.949,472 1.938,473 0.835,474 16.933,475 0.484,476 0.551,477 0.016,478 41.75,479 1.193,480 20,481 0.571,482 21.75,483 0.621,484 34.537,485 0.987,486 37.667,487 0.531,488 28.258,489 0.807,490 7.499,491 0.214,492 9.794,493 0.28,494 0.02,496 0.266,501 0.843,502 1.214,503 0.918,504 1.052,505 0.584,506 0.997,507 0.745,508 1.234,509 1.004,510 1.14,511 0.581,512 1.099,513 1.053,514 1.043,515 0.929,516 0.945,517 0.981,518 0.928,519 1.325,520 1.062,521 1.108,522 1.017,523 1.228,524 1.037,525 1.288,526 0.993,527 1.146,528 1.027,529 1.223,530 1.064,531 0.983,532 1.012,533 1.065,534 1.066,535 0.964,536 1.071,537 0.965,538 0.955,539 0.995,540 1.015,541 1.159,542 1.013,543 0.993,544 0.855,545 0.978,546 0.952,547 1.241,548 0.969,549 4,550 0.119,551 3.333,552 2.104,553 1.382,554 0.608,555 0.442,556 0.318,557 0.158,558 0.123,559 24572,560 49630,561 2.176,562 50.7,563 12,564 12,565 1,567 3,568 4,569 4,572 1.757,573 2.121,574 3.883,575 0.707,582 95.308,583 1.342,584 3.349,585 4.491,586 5.452,587 5.784,588 5.812,589 3.22,590 4.558,591 5.109,592 4.176,593 2484.6,594 8.903,595 44379.5,600 436.632,601 0.997,602 5.096,603 0.103,604 0.005,605 0.064,606 0.04,607 0.029,608 0.015,609 0.012,610 0.01,611 0.005,612 0.005,613 0.287,614 0.17,615 0.63,616 0.293,617 197.315,618 -0.028,619 -0.012,620 0.052,621 0.04,622 0.026,623 0.051,624 0.08,625 -0.123,626 -0.033,627 -0.092,628 0.071,629 -0.076,630 -0.027,631 -0.03,632 0.063,633 0.04,634 -0.019,635 0.055,636 -0.109,637 -0.025,638 -0.1,639 -0.054,640 -0.106,641 -0.073,642 -0.133,643 0.018,644 -0.146,645 -0.06,646 -0.126,647 -0.096,648 -0.062,649 -0.051,650 -0.086,651 -0.081,652 -0.032,653 -0.083,654 0.05,655 -0.034,656 -0.01,657 -0.038,658 0.024,659 -0.03,660 0.073,661 0.057,662 0.009,663 0.023,664 0.039,665 0.011,666 1.502,667 5.233,668 0.657,669 40.988,670 0.984,671 1.125,672 3.571,673 12.752,674 0.657,675 3.689,676 3.97,677 4.263,678 4.543,679 4.762,680 4.804,681 4.913,682 4.99,683 4.977,684 4.852,685 9.957,686 0.609,687 468.7,688 3.689,689 5.209,690 6.057,691 6.923,692 7.79,693 8.668,694 9.545,695 10.429,696 11.313,697 12.201,698 5.6,703 1,705 1,706 1,708 1,714 4,715 9,716 1,717 1,720 4,722 21,734 1,741 71,743 22,744 2,745 39,747 75,748 30,749 17,750 4,751 8,756 5,757 9,767 4,770 10,772 18,773 12,777 1,782 1,786 1,793 36,794 4,795 3,796 5,802 4,808 0.4,809 1,822 1,824 1,828 1,829 4,832 1,833 2,843 1,859 2,868 35,876 12,877 2,893 1.4,896 1,901 16.5,902 12.367,903 7.833,904 4.871,907 4.102,908 1.495,909 1.018,910 7.999,911 12.391,912 3.942,913 4.53,914 5.157,915 5.78,916 6.319,917 6.612,918 6.977,919 7.302,920 7.404,921 7.258,922 1,923 53,924 13.023,926 5.499,927 0.026,929 7.457,931 25.986,933 22.005,936 1.957,937 68.5,941 388.446,942 140.438,943 69.593,945 25.145,948 140.438,949 413.591,950 69.593,952 47.567,953 84.857,954 64.646,955 35.96,956 13.915,957 376.675,959 388.446,960 210.03,961 25.145,964 341.362,965 72.229,968 69.254,969 105.98,970 34.796,972 388.446,973 94.737,974 140.438,977 388.446,978 55.58,979 84.857,980 52.807,981 41.93,982 388.446,983 94.737,984 140.438,986 0.563,987 0.331,988 0.19,989 0.104,990 24,991 9,992 0.147,993 11,994 3,995 1.261,996 4.93,997 311.656,998 0.261,999 23,1000 179.525,1005 23.877,1006 11.726,1007 5.873,1008 4.75,1009 77.952,1010 18.856,1011 4.931,1012 3.298,1015 5.281,1017 52.807,1018 623.621,1019 50.5,1024 12.233,1028 0.165,1031 69.872,1032 79.846,1034 0.218,1035 0.545,1036 0.73,1037 0.887,1038 0.94,1039 0.945,1040 5.155,1041 1.546,1042 5.999,1043 3.785,1044 4.654,1045 5.218,1046 1.997,1047 6.786,1048 4.621,1049 6.331,1050 1.528,1051 7.53,1052 3.709,1053 4.007,1054 4.997,1055 1.593,1056 7.662,1057 3.972,1058 7.627,1059 1.383,1060 9.172,1061 3.329,1062 6.201,1063 7.469,1064 2.907,1065 10.819,1066 6.136,1067 8.969,1068 1.347,1069 10.887,1070 3.311,1071 6.494,1072 8.202,1073 3.032,1074 12.626,1075 6.42,1076 10.354,1077 1.248,1078 12.652,1079 2.958,1080 8.066,1081 10.096,1082 4.038,1083 15.274,1084 7.969,1085 11.77,1086 1.247,1087 14.45,1088 2.902,1089 8.819,1090 11.26,1091 4.409,1092 17.437,1093 8.707,1094 13.209,1095 1.034,1096 16.273,1097 2.802,1098 10.132,1099 12.926,1100 5.25,1101 19.924,1102 10.001,1103 3.226,1104 0.849,1105 18.113,1106 2.356,1107 11.105,1108 14.284,1109 5.75,1110 22.228,1111 10.955,1112 3.061,1113 11.348,1114 19.966,1115 1.938,1116 12.314,1117 15.857,1118 6.501,1119 24.661,1120 12.145,1121 2.532,1122 10.264,1123 21.83,1124 4.564,1125 13.387,1126 17.3,1127 7.068,1128 27.023,1129 13.198,1130 2.383,1131 8.37,1132 23.701,1133 4.473,1134 14.557,1135 18.835,1136 7.771,1137 29.44,1138 14.349,1139 2.181,1140 6.711,1141 25.578,1142 3.437,1143 15.674,1144 20.315,1145 8.374,1146 31.828,1147 15.447,1148 2.034,1149 6.149,1150 27.461,1151 2.893,1152 16.831,1153 21.835,1154 9.051,1155 34.241,1156 16.585,1157 1.79,1158 5.941,1159 29.347,1160 2.84,1161 17.969,1162 23.331,1163 9.674,1164 36.642,1165 17.702,1166 22356,1167 31913,1168 27.216,1169 46.66,1170 57.033,1171 58.2,1172 58.097,1173 56.94,1174 56.988,1175 74.106,1176 4.912,1177 156.71,1178 56.061,1179 5.61,1180 5.575,1181 6.692,1182 5.247,1183 5.226,1184 7.564,1185 3.306,1186 18.879,1187 5.162,1188 8.07,1189 1.462,1190 1.492,1191 1.49,1192 1.46,1193 1.461,1194 1.9,1195 0.126,1196 4.018,1197 1.437,1198 4.14,1199 4.175,1200 4.094,1201 4.06,1202 7.429,1203 4.064,1204 4.098,1205 4.129,1206 4.058,1207 4.023,1208 4.986,1209 4.028,1210 3.789,1211 3.847,1212 3.66,1213 3.657,1214 4.955,1215 3.645,1216 3.732,1217 3.781,1218 3.616,1219 3.641,1220 4.413,1221 3.628,1222 3.628,1223 3.694,1224 3.491,1225 3.455,1226 4.318,1227 3.454,1228 3.483,1229 3.549,1230 3.351,1231 3.351,1232 4.26,1233 3.344,1234 3.352,1235 3.424,1236 3.221,1237 3.178,1238 4.137,1239 3.179,1240 3.25,1241 3.32,1242 3.101,1243 3.094,1244 4.02,1245 3.088,1246 0.119,1247 0.092,1248 0.175,1249 0.108,1250 0.083,1251 4.64,1252 0.117,1253 3.575,1254 0.049,1255 6.829,1256 0.291,1257 4.207,1258 0.081,1259 3.226,1260 4.564,1261 1.907,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.436,1269 2.163,1270 1.94,1271 1.917,1272 2.042,1273 2.02,1274 1.369,1275 2.028,1276 1.779,1277 1.722,1278 2.017,1279 1.953,1280 1.234,1281 1.975,1282 1.754,1283 1.708,1284 1.949,1285 1.873,1286 1.154,1287 1.902,1288 1.66,1289 1.601,1290 1.863,1291 1.856,1292 1.078,1293 1.865,1294 1.529,1295 1.467,1296 1.771,1297 1.734,1298 1.024,1299 1.746,1300 1.326,1301 1.26,1302 1.545,1303 1.576,1304 0.761,1305 1.576,1306 1.244,1307 1.174,1308 1.484,1309 1.441,1310 0.7,1311 1.462,1312 4.369,1314 5.659,1315 2.398,1316 7.154,1317 4.727,1318 8.754,1319 6.823,1320 10.416,1328 12.155,1329 6.832,1340 43.229,1341 95.308,1342 237.799,1343 318.858,1344 387.122,1345 410.632,1346 412.632,1347 55.369,1348 8.289,1349 69.81,1350 69.81,1351 29,1352 12.733,1353 4.524,1354 3.644,1355 52.93,1356 218,1357 178,1358 0.114,1359 263.473,1360 448.55,1361 634.635,1362 67046,1364 23.874,1365 0.682,1366 0.587,1367 23.874,1368 20.537,1369 17.293,1370 0.443,1371 0.34,1372 13.167,1373 16.955,1374 12.922,1375 10.705,1376 17.293,1377 13.255,1378 14.743,1379 0.284,1380 0.186,1381 14.743,1382 9.687,1383 12.629,1384 0.18,1385 0.103,1386 12.629,1387 7.193,1388 10.812,1389 0.116,1390 0.057,1391 10.812,1392 5.315,1393 8.836,1394 0.076,1395 0.033,1396 8.836,1397 3.808,1398 0.191,1399 106.105,1400 0.192,1401 33.58,1402 0.28,1403 182,1404 404.379,1405 191.43,1406 403.213,1407 569.34,1408 382,1409 213,1410 429.805,1411 222.488,1412 438.163,1413 643.1,1414 418,1415 9.301}
{0 CHEMBL2011402,1 1.389,2 14,3 5.419,4 29.366,5 126.351,6 7.215,7 0.343,8 4.226,9 4.319,10 3.729,11 3.73,12 5.405,13 3.714,14 4.74,15 4.891,16 4.101,17 4.11,18 5.845,19 4.081,20 5.002,21 5.141,22 4.301,23 4.283,24 6.282,25 4.252,26 5.189,27 5.379,28 4.29,29 4.321,30 6.475,31 4.261,32 5.197,33 5.417,34 4.16,35 4.289,36 6.352,37 4.206,38 5.098,39 5.309,40 4.152,41 4.202,42 6.34,43 4.141,44 5.003,45 5.167,46 4.049,47 4.136,48 6.339,49 4.074,50 5.054,51 5.298,52 3.923,53 4.055,54 6.158,55 3.966,56 0.127,57 0.785,58 13.647,59 6.533,60 25.563,61 7.797,62 0.244,63 1.252,64 24.442,65 10.517,66 37.907,67 13.175,68 0.602,69 1.571,70 32.399,71 13.097,72 87.061,73 16.332,74 1.033,75 1.785,76 41.845,77 15.025,78 146.646,79 19.606,80 0.875,81 1.781,82 43.085,83 15.108,84 138.18,85 20.096,86 0.888,87 1.607,88 38.99,89 13.558,90 138.144,91 17.865,92 0.867,93 1.472,94 34.439,95 12.243,96 142.947,97 15.355,98 0.762,99 1.491,100 38.48,101 12.665,102 111.172,103 17.159,104 92,105 50,106 0.224,107 0.576,108 0.785,109 0.845,110 0.878,111 0.878,112 3.532,113 0.922,114 -3.47,115 -3.44,116 -3.29,121 41.3,122 3,123 3,126 1,129 2,137 2,138 2,144 4,145 3,146 5,159 1,176 13,180 5,185 5,187 16,192 4,195 3,197 6,200 12,205 1,206 6,209 3,210 1,211 7,214 12,219 4,222 1,223 1,224 5,227 12,231 1,232 3,235 1,236 1,237 7,239 13,244 2,247 2,248 1,249 9,251 8,255 1,256 6,261 5,264 8,269 2,273 2,274 5,277 6,281 1983,282 21.491,283 21.491,284 21.491,285 21.491,286 21.491,287 19.088,288 30.041,289 12.338,290 21.858,291 17.102,292 17.102,293 17.102,294 17.102,295 17.102,296 13.507,297 37.435,298 5.723,299 17.675,300 4.588,301 2.398,302 1.104,303 0.731,304 0.524,305 0.524,306 4.206,311 1,312 1,313 955,314 4.183,318 299.239,322 159.859,325 2.545,326 55.848,329 1,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.98,337 73,338 462,339 4.644,340 3.9,341 7.005,342 4.314,343 3.338,344 4.339,345 1.489,346 11.838,347 3.258,348 4.3,349 3.295,350 6.518,351 3.958,352 2.989,353 3.92,354 1.151,355 10.117,356 2.89,357 4.052,358 3.223,359 6.108,360 3.72,361 2.76,362 3.4,363 0.86,364 8.742,365 2.653,366 3.768,367 3.013,368 5.951,369 3.426,370 2.444,371 3.034,372 0.68,373 8.162,374 2.397,375 3.689,376 2.83,377 5.481,378 3.345,379 2.354,380 2.976,381 0.68,382 6.764,383 2.313,384 3.62,385 2.646,386 5.151,387 3.179,388 2.185,389 2.864,390 0.68,391 6.075,392 2.175,393 3.438,394 2.563,395 5.034,396 3.076,397 2.12,398 2.702,400 5.776,401 2.011,402 3.23,403 2.286,404 4.642,405 2.861,406 1.91,407 2.414,409 5.134,410 1.802,411 2.848,412 2.055,413 4.563,414 2.425,415 1.492,416 1.978,418 4.169,419 1.384,420 2.711,421 1.865,422 4.157,423 2.363,424 1.402,425 1.712,427 3.646,428 1.33,429 2.25,430 1.723,431 3.725,432 2.149,433 1.157,434 1.219,436 2.605,437 1.144,438 1.928,439 1.438,440 3.441,441 1.808,442 0.832,443 0.873,445 1.881,446 0.807,447 1.828,448 1.284,449 3.24,450 1.536,451 0.644,452 0.731,454 1.245,455 0.566,456 1.569,457 1.025,458 2.99,459 1.253,460 0.344,461 0.393,463 0.769,464 0.305,465 1.321,466 0.59,467 2.92,468 1.026,469 0.055,470 0.064,472 0.139,473 0.053,474 15.333,475 0.465,476 1.039,477 0.031,478 37.75,479 1.144,480 18,481 0.545,482 19.75,483 0.598,484 33.925,485 1.028,486 37.467,487 0.595,488 33.838,489 1.025,490 7.528,491 0.228,492 8.105,493 0.246,494 0.239,496 0.424,501 0.927,502 1.094,503 0.871,504 1.074,505 0.931,506 0.978,507 0.856,508 1.044,509 0.772,510 1.018,511 0.676,512 0.899,513 0.907,514 1.259,515 0.953,516 1.241,517 0.894,518 1.13,519 0.891,520 1.068,521 0.933,522 1.062,523 0.881,524 1.016,525 0.976,526 0.952,527 0.94,528 0.948,529 1.1,530 0.938,531 0.975,532 0.92,533 0.875,534 0.909,535 1.081,536 0.876,537 1.249,538 1.195,539 1.243,540 1.198,541 1.375,542 1.215,543 1.048,544 0.871,545 0.889,546 0.86,547 1.045,548 0.841,549 7.5,550 0.223,551 4.667,552 3.063,553 2.724,554 1.667,555 1.053,556 0.707,557 0.476,558 0.369,559 14415,560 39028,561 1.942,562 47.6,563 15,564 11,567 4,572 1.752,573 1.752,574 3.702,575 1.513,582 87.499,583 1.389,584 3.579,585 4.873,586 5.247,587 5.453,588 5.453,589 3.268,590 4.681,591 5.002,592 3.904,593 2061.05,594 8.767,595 30824.8,600 376.569,601 1.569,602 4.932,603 0.214,604 0.008,605 0.093,606 0.054,607 0.05,608 0.035,609 0.022,610 0.017,611 0.013,612 0.011,613 0.518,614 0.17,615 1,616 1.826,617 175.999,618 -0.106,619 0.074,620 -0.006,621 0.076,622 -0.15,623 0.061,624 -0.038,625 0.048,626 0.134,627 0.067,628 -0.007,629 0.128,630 0.098,631 -0.185,632 -0.015,633 -0.182,634 0.057,635 -0.134,636 0.161,637 -0.068,638 0.053,639 -0.068,640 0.165,641 -0.038,642 0.006,643 0.022,644 0.05,645 0.027,646 -0.027,647 0.046,648 0.073,649 0.058,650 0.124,651 0.067,652 0.07,653 0.1,654 -0.036,655 -0.181,656 -0.245,657 -0.202,658 -0.037,659 -0.26,660 -0.025,661 0.065,662 0.129,663 0.082,664 -0.014,665 0.131,666 2.935,667 5.955,668 0.485,669 44.11,670 1.009,671 1.122,672 2.235,673 4.996,674 0.644,675 3.584,676 3.932,677 4.205,678 4.454,679 4.7,680 4.883,681 4.997,682 5.136,683 5.263,684 5.308,685 7.837,686 0.618,687 454.56,688 3.584,689 5.142,690 5.999,691 6.891,692 7.772,693 8.674,694 9.569,695 10.479,696 11.382,697 12.297,715 4,720 8,722 12,727 1,738 3,739 2,741 63,743 15,744 2,745 35,747 65,748 26,749 12,750 8,751 4,752 1,756 3,757 4,763 3,767 2,770 5,772 17,773 9,777 3,782 1,784 2,786 3,793 30,794 7,795 4,796 7,808 0.667,809 7,811 1,829 3,833 1,849 2,850 2,857 1,859 2,864 4,868 33,875 4,876 3,878 2,880 2,893 11.1,894 1,895 3,896 1,898 2,901 18.833,902 12.217,903 7.333,904 3.578,907 2.76,908 1.355,909 0.877,910 7.976,911 10.531,912 3.807,913 4.407,914 4.92,915 5.429,916 5.952,917 6.264,918 6.532,919 6.879,920 7.247,921 7.546,922 0.9,923 57,924 12.414,926 5.472,927 0.026,929 8.03,931 22.853,933 18.567,936 2.53,937 83.5,941 306.049,942 133.368,945 217.878,948 133.368,949 523.927,951 37.359,952 7.604,953 99.541,954 158.328,955 48.415,957 306.049,959 306.049,960 133.368,961 217.878,964 306.049,965 175.195,966 42.683,968 34.079,969 80.336,970 18.952,972 306.049,973 217.878,974 133.368,977 306.049,978 39.152,979 94.216,981 217.878,982 306.049,983 217.878,984 133.368,986 0.589,987 0.345,988 0.176,989 0.093,990 22,991 13,992 0.108,993 7,994 1,995 1.125,996 4.185,997 300.146,998 0.125,999 16,1000 164.465,1005 24.995,1006 10.53,1007 5.476,1009 217.878,1010 5.658,1015 -0.207,1017 170.733,1018 657.295,1019 44,1024 12.955,1026 4.037,1028 1.61,1031 63.545,1032 70.694,1034 0.232,1035 0.599,1036 0.815,1037 0.878,1038 0.912,1039 0.912,1040 5.075,1041 1.91,1042 6.019,1043 5.776,1044 4.615,1045 5.094,1046 2.513,1047 6.872,1048 4.551,1049 6.305,1050 1.492,1051 7.617,1052 5.134,1053 4.369,1054 5.056,1056 7.883,1057 4.274,1058 7.635,1059 1.402,1060 9.316,1061 4.169,1062 6.256,1063 7.271,1064 2.816,1065 11.006,1066 6.142,1067 8.996,1068 1.157,1069 11.071,1070 3.646,1071 6.781,1072 7.987,1074 12.817,1075 6.63,1076 10.385,1077 0.832,1078 12.862,1079 2.605,1080 8.192,1081 9.74,1082 3.362,1083 15.502,1084 8.027,1085 11.793,1086 0.644,1087 14.679,1088 1.881,1089 9.066,1090 10.811,1092 17.659,1093 8.864,1094 13.217,1095 0.344,1096 16.515,1097 1.245,1098 10.309,1099 12.386,1100 4.031,1101 20.192,1102 10.091,1103 3.338,1104 0.055,1105 18.366,1106 0.769,1107 11.346,1108 13.638,1110 22.509,1111 11.094,1112 2.989,1113 11.838,1114 20.229,1115 0.139,1116 12.534,1117 15.139,1118 4.76,1119 24.988,1120 12.264,1121 2.76,1122 10.117,1123 22.102,1124 4.339,1125 13.647,1126 16.486,1128 27.379,1129 13.347,1130 2.444,1131 8.742,1132 23.984,1133 3.92,1134 14.821,1135 17.956,1136 5.52,1137 29.841,1138 14.501,1139 2.354,1140 8.162,1141 25.874,1142 3.4,1143 15.97,1144 19.353,1146 32.268,1147 15.624,1148 2.185,1149 6.764,1150 27.769,1151 3.034,1152 17.146,1153 20.811,1154 6.295,1155 34.726,1156 16.777,1157 2.12,1158 6.075,1159 29.67,1160 2.976,1161 18.314,1162 22.235,1164 37.171,1165 17.921,1166 14476,1167 24139,1168 21.907,1169 40.602,1170 52.675,1171 54.366,1172 56.139,1173 52.075,1174 52.052,1175 65.239,1176 11.079,1177 154.125,1178 50.179,1179 5.59,1180 5.9,1181 6.565,1182 5.414,1183 5.338,1184 7.339,1185 2.978,1186 19.558,1187 5.258,1188 23.149,1189 1.505,1190 1.553,1191 1.604,1192 1.488,1193 1.487,1194 1.864,1195 0.317,1196 4.404,1197 1.434,1198 4.051,1199 4.056,1200 4.016,1201 3.958,1202 7.428,1203 3.969,1204 3.893,1205 3.908,1206 3.847,1207 3.82,1208 6.49,1209 3.823,1210 3.805,1211 3.845,1212 3.694,1213 3.716,1214 6.469,1215 3.705,1216 3.633,1217 3.678,1218 3.529,1219 3.53,1220 6.446,1221 3.52,1222 3.503,1223 3.525,1224 3.413,1225 3.34,1226 6.442,1227 3.357,1228 3.247,1229 3.304,1230 3.116,1231 3.03,1232 4.799,1233 3.018,1234 3.18,1235 3.258,1236 3.003,1237 2.978,1238 4.657,1239 2.992,1240 3.066,1241 3.126,1242 2.909,1243 2.86,1244 4.493,1245 2.851,1246 0.133,1247 0.111,1248 0.2,1249 0.123,1250 0.095,1251 4.644,1252 0.124,1253 3.9,1254 0.043,1255 7.005,1256 0.338,1257 4.314,1258 0.093,1259 3.338,1260 4.339,1261 1.489,1262 11.838,1263 3.258,1264 1.973,1265 1.966,1266 2.058,1267 2.085,1268 1.292,1269 2.07,1270 1.876,1271 1.858,1272 2.012,1273 1.977,1274 1.225,1275 1.988,1276 1.802,1277 1.764,1278 1.943,1279 1.922,1280 1.118,1281 1.933,1282 1.639,1283 1.595,1284 1.843,1285 1.784,1286 0.974,1287 1.807,1288 1.44,1289 1.419,1290 1.628,1291 1.65,1292 0.826,1293 1.639,1294 1.215,1295 1.141,1296 1.562,1297 1.493,1298 0.7,1299 1.512,1300 1.177,1301 1.109,1302 1.526,1303 1.421,1304 0.579,1305 1.465,1306 1.057,1307 0.978,1308 1.417,1309 1.299,1310 0.547,1311 1.337,1312 4.263,1314 5.602,1316 7.138,1318 8.776,1320 10.475,1322 7.455,1327 41.953,1328 1.965,1330 10.796,1332 -2.724,1340 38.906,1341 87.499,1342 225.501,1343 307.02,1344 330.53,1345 343.549,1346 343.549,1347 116.465,1348 7.771,1349 116.45,1350 116.45,1351 18,1352 12.811,1353 4,1354 3.322,1355 64.434,1356 153,1357 180,1358 0.209,1359 239.618,1360 437.25,1361 576.429,1362 24207,1364 24.284,1365 0.736,1366 0.583,1367 24.284,1368 19.254,1369 15.633,1370 0.447,1371 0.307,1372 10.614,1373 15.043,1374 10.206,1375 8.528,1376 15.633,1377 10.762,1378 14.417,1379 0.288,1380 0.169,1381 14.417,1382 8.45,1383 11.908,1384 0.18,1385 0.086,1386 11.908,1387 5.679,1388 9.669,1389 0.114,1390 0.045,1391 9.669,1392 3.792,1393 7.233,1394 0.066,1395 0.023,1396 7.233,1397 2.486,1398 0.332,1399 98.617,1400 0.214,1401 30.872,1402 0.566,1403 170,1404 539.805,1405 187.605,1406 509.603,1407 674.62,1408 472,1409 201,1410 474.909,1411 220.268,1412 481.181,1413 706.45,1414 449,1415 4.481}
{0 CHEMBL2011403,1 1.415,2 14.088,3 5.152,4 26.539,5 128.045,6 7.352,7 0.333,8 4.249,9 4.338,10 3.761,11 3.736,12 5.461,13 3.73,14 4.755,15 4.9,16 4.143,17 4.118,18 5.894,19 4.101,20 5.026,21 5.155,22 4.36,23 4.297,24 6.353,25 4.279,26 5.22,27 5.403,28 4.365,29 4.338,30 6.565,31 4.295,32 5.235,33 5.439,34 4.219,35 4.311,36 6.455,37 4.242,38 5.153,39 5.364,40 4.221,41 4.226,42 6.438,43 4.175,44 5.041,45 5.197,46 4.126,47 4.156,48 6.451,49 4.109,50 5.087,51 5.324,52 3.979,53 4.077,54 6.217,55 4,56 0.185,57 0.798,58 13.723,59 6.593,60 32.218,61 7.695,62 0.312,63 1.267,64 24.416,65 10.58,66 45.123,67 13.077,68 0.773,69 1.594,70 32.631,71 13.209,72 102.163,73 16.245,74 1.233,75 1.814,76 43.01,77 15.193,78 171.174,79 19.7,80 1.186,81 1.811,82 44.871,83 15.22,84 176.851,85 19.856,86 1.131,87 1.66,88 41.561,89 13.97,90 172.213,91 18.473,92 1.072,93 1.504,94 35.537,95 12.434,96 173.256,97 15.44,98 0.914,99 1.514,100 39.961,101 12.815,102 130.5,103 17.314,104 111,105 52,106 0.227,107 0.575,108 0.771,109 0.82,110 0.855,111 0.855,112 3.56,113 0.909,114 -2.72,115 -2.73,116 -2.65,121 40.6,122 3,123 3,126 1,129 2,137 2,138 2,144 3,145 3,146 6,159 1,176 12,180 4,185 6,187 15,192 4,195 4,197 6,200 11,205 1,206 5,209 3,210 2,211 8,214 12,219 4,222 2,223 1,224 4,227 12,231 1,232 2,235 1,236 2,237 7,239 11,244 2,247 3,248 1,249 11,251 8,255 1,256 6,261 3,264 7,269 2,273 4,274 6,277 5,281 2112,282 21.991,283 21.991,284 21.991,285 21.991,286 21.991,287 19.535,288 30.804,289 12.546,290 22.385,291 17.586,292 17.586,293 17.586,294 17.586,295 17.586,296 13.9,297 38.984,298 5.808,299 18.22,300 4.585,301 2.417,302 1.2,303 0.895,304 0.672,305 0.672,306 4.233,311 1,312 1,313 988,314 4.243,318 309.271,322 165.057,325 2.564,326 63.674,329 1,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.98,337 76,338 479,339 4.646,340 3.901,341 7.006,342 4.316,343 3.341,344 4.34,345 1.489,346 11.842,347 3.259,348 4.413,349 3.353,350 6.557,351 4.025,352 3.063,353 4.093,354 1.151,355 10.28,356 2.944,357 4.082,358 3.263,359 6.362,360 3.795,361 2.837,362 3.411,363 0.86,364 9.498,365 2.716,366 3.774,367 3.078,368 6.023,369 3.44,370 2.454,371 3.048,372 0.68,373 8.343,374 2.413,375 3.699,376 2.83,377 5.489,378 3.35,379 2.357,380 2.984,381 0.68,382 6.774,383 2.33,384 3.62,385 2.646,386 5.16,387 3.179,388 2.185,389 2.864,390 0.68,391 6.075,392 2.175,393 3.438,394 2.563,395 5.034,396 3.076,397 2.12,398 2.702,400 5.813,401 2.011,402 3.232,403 2.286,404 4.879,405 2.861,406 1.91,407 2.481,409 5.225,410 1.802,411 3.23,412 2.232,413 4.642,414 2.816,415 1.879,416 2.414,418 5.134,419 1.749,420 2.715,421 2.045,422 4.588,423 2.38,424 1.434,425 1.717,427 4.184,428 1.339,429 2.25,430 1.733,431 3.739,432 2.15,433 1.16,434 1.22,436 2.614,437 1.145,438 1.988,439 1.666,440 3.596,441 1.814,442 0.895,443 0.949,445 1.916,446 0.812,447 1.927,448 1.428,449 3.241,450 1.73,451 0.818,452 0.865,454 1.768,455 0.739,456 1.583,457 1.187,458 3.215,459 1.268,460 0.355,461 0.405,463 0.862,464 0.316,465 1.322,466 0.59,467 2.99,468 1.027,469 0.055,470 0.064,472 0.141,473 0.053,474 15.667,475 0.461,476 1.128,477 0.033,478 39,479 1.147,480 18.5,481 0.544,482 20.5,483 0.603,484 35.347,485 1.04,486 38.933,487 0.608,488 36.296,489 1.068,490 7.784,491 0.229,492 8.26,493 0.243,494 0.255,496 0.447,501 0.957,502 1.083,503 0.868,504 1.061,505 0.962,506 0.962,507 0.834,508 1.058,509 0.742,510 1.029,511 0.665,512 0.89,513 0.862,514 1.276,515 0.928,516 1.259,517 0.887,518 1.135,519 0.851,520 1.073,521 0.891,522 1.064,523 0.806,524 1.001,525 1.052,526 0.969,527 1.022,528 0.97,529 1.206,530 0.985,531 0.916,532 0.893,533 0.831,534 0.881,535 0.978,536 0.842,537 1.187,538 1.196,539 1.212,540 1.199,541 1.266,542 1.21,543 1.036,544 0.879,545 0.893,546 0.868,547 1.055,548 0.847,549 8,550 0.239,551 4.889,552 3.5,553 2.916,554 1.722,555 1.155,556 0.734,557 0.538,558 0.405,559 15392,560 43849,561 1.928,562 46.9,563 15,564 10,567 5,572 1.759,573 1.729,574 3.701,575 2.278,582 90.582,583 1.415,584 3.583,585 4.8,586 5.105,587 5.328,588 5.328,589 3.268,590 4.499,591 5.046,592 3.915,593 2196.13,594 8.855,595 33438.2,600 384,601 1.566,602 4.968,603 0.222,604 0.008,605 0.094,606 0.058,607 0.05,608 0.034,609 0.023,610 0.017,611 0.014,612 0.011,613 0.532,614 0.17,615 0.88,616 1.807,617 182.763,618 -0.129,619 0.097,620 -0.019,621 0.099,622 -0.166,623 0.074,624 -0.04,625 0.046,626 0.147,627 0.069,628 -0.004,629 0.142,630 0.122,631 -0.19,632 -0.004,633 -0.189,634 0.047,635 -0.139,636 0.175,637 -0.069,638 0.089,639 -0.066,640 0.195,641 -0.02,642 -0.018,643 0.009,644 -0.027,645 0.006,646 -0.084,647 -0.009,648 0.1,649 0.078,650 0.17,651 0.09,652 0.104,653 0.138,654 -0.009,655 -0.178,656 -0.223,657 -0.2,658 0.017,659 -0.255,660 -0.041,661 0.056,662 0.124,663 0.075,664 -0.045,665 0.131,666 3.052,667 5.978,668 0.471,669 45.315,670 1.014,671 1.123,672 1.487,673 2.211,674 0.642,675 3.611,676 3.97,677 4.248,678 4.511,679 4.736,680 4.934,681 5.043,682 5.187,683 5.333,684 5.371,685 7.917,686 0.619,687 470.56,688 3.611,689 5.176,690 6.038,691 6.936,692 7.82,693 8.729,694 9.625,695 10.54,696 11.445,697 12.364,715 3,720 9,722 12,727 1,738 4,739 2,741 64,743 15,744 2,745 36,747 66,748 26,749 12,750 9,751 3,752 1,756 3,757 4,763 3,767 2,770 5,772 17,773 9,777 3,782 1,784 2,786 3,793 30,794 8,795 5,796 8,808 0.667,809 8,811 1,829 3,833 1,849 2,850 2,857 1,859 2,864 4,868 34,875 5,876 3,878 2,880 2,893 12.5,894 1,895 4,896 1,898 2,901 19.667,902 12.333,903 7.528,904 3.579,907 2.78,908 1.354,909 0.864,910 8.177,911 10.627,912 3.829,913 4.443,914 4.963,915 5.484,916 5.989,917 6.323,918 6.576,919 6.923,920 7.304,921 7.601,922 0.9,923 60,924 12.825,926 5.734,927 0.026,929 8.123,931 23.329,933 18.983,936 2.623,937 89.167,941 294.278,942 123.892,945 260.561,948 123.892,949 554.839,951 37.359,952 7.604,953 90.065,954 201.012,955 48.415,957 294.278,959 294.278,960 123.892,961 260.561,964 294.278,965 217.878,966 42.683,968 34.079,969 70.86,970 18.952,972 294.278,973 260.561,974 123.892,977 294.278,978 39.152,979 84.74,981 260.561,982 294.278,983 260.561,984 123.892,986 0.592,987 0.349,988 0.182,989 0.092,990 23,991 14,992 0.106,993 7,994 1,995 1.125,996 4.214,997 315.189,998 0.125,999 16,1000 164.974,1005 25.939,1006 10.719,1007 5.537,1009 260.561,1010 3.611,1015 -1.752,1017 213.417,1018 678.731,1019 45,1024 12.978,1026 3.998,1028 1.494,1031 64.872,1032 71.903,1034 0.236,1035 0.597,1036 0.8,1037 0.851,1038 0.888,1039 0.888,1040 5.106,1041 1.91,1042 6.066,1043 5.813,1044 4.654,1045 5.13,1046 2.513,1047 6.932,1048 4.585,1049 6.345,1050 1.879,1051 7.674,1052 5.225,1053 4.443,1054 5.139,1056 7.962,1057 4.339,1058 7.682,1059 1.434,1060 9.38,1061 5.134,1062 6.308,1063 7.326,1064 2.816,1065 11.09,1066 6.185,1067 9.05,1068 1.16,1069 11.142,1070 4.184,1071 6.858,1072 8.08,1074 12.907,1075 6.694,1076 10.445,1077 0.895,1078 12.939,1079 2.614,1080 8.259,1081 9.818,1082 3.362,1083 15.594,1084 8.079,1085 11.859,1086 0.818,1087 14.761,1088 1.916,1089 9.149,1090 10.919,1092 17.752,1093 8.929,1094 13.29,1095 0.355,1096 16.601,1097 1.768,1098 10.39,1099 12.488,1100 4.031,1101 20.283,1102 10.152,1103 3.341,1104 0.055,1105 18.456,1106 0.862,1107 11.437,1108 13.762,1110 22.595,1111 11.162,1112 3.063,1113 11.842,1114 20.322,1115 0.141,1116 12.625,1117 15.262,1118 4.76,1119 25.069,1120 12.329,1121 2.837,1122 10.28,1123 22.198,1124 4.34,1125 13.742,1126 16.623,1128 27.453,1129 13.415,1130 2.454,1131 9.498,1132 24.081,1133 4.093,1134 14.917,1135 18.094,1136 5.52,1137 29.909,1138 14.567,1139 2.357,1140 8.343,1141 25.971,1142 3.411,1143 16.068,1144 19.499,1146 32.33,1147 15.69,1148 2.185,1149 6.774,1150 27.867,1151 3.048,1152 17.242,1153 20.958,1154 6.295,1155 34.782,1156 16.842,1157 2.12,1158 6.075,1159 29.767,1160 2.984,1161 18.41,1162 22.386,1164 37.222,1165 17.985,1166 15495,1167 26516,1168 22.312,1169 41.057,1170 54.342,1171 56.128,1172 58.375,1173 53.79,1174 53.729,1175 67.116,1176 11.079,1177 160.937,1178 51.609,1179 5.592,1180 5.901,1181 6.566,1182 5.416,1183 5.341,1184 7.34,1185 2.978,1186 19.566,1187 5.259,1188 24.83,1189 1.509,1190 1.559,1191 1.622,1192 1.494,1193 1.492,1194 1.864,1195 0.308,1196 4.47,1197 1.434,1198 4.052,1199 4.056,1200 4.019,1201 3.958,1202 7.428,1203 3.97,1204 3.897,1205 3.908,1206 3.861,1207 3.818,1208 6.497,1209 3.825,1210 3.805,1211 3.845,1212 3.695,1213 3.715,1214 6.485,1215 3.705,1216 3.634,1217 3.678,1218 3.531,1219 3.529,1220 6.446,1221 3.52,1222 3.505,1223 3.525,1224 3.415,1225 3.34,1226 6.446,1227 3.358,1228 3.247,1229 3.304,1230 3.117,1231 3.03,1232 6.442,1233 3.019,1234 3.18,1235 3.258,1236 3.003,1237 2.978,1238 4.735,1239 2.992,1240 3.067,1241 3.126,1242 2.91,1243 2.86,1244 4.633,1245 2.851,1246 0.129,1247 0.108,1248 0.195,1249 0.12,1250 0.093,1251 4.646,1252 0.121,1253 3.901,1254 0.041,1255 7.006,1256 0.329,1257 4.316,1258 0.091,1259 3.341,1260 4.34,1261 1.489,1262 11.842,1263 3.259,1264 1.971,1265 1.966,1266 2.056,1267 2.085,1268 1.292,1269 2.068,1270 1.87,1271 1.856,1272 2.003,1273 1.977,1274 1.223,1275 1.985,1276 1.801,1277 1.763,1278 1.932,1279 1.922,1280 1.115,1281 1.929,1282 1.639,1283 1.595,1284 1.84,1285 1.784,1286 0.972,1287 1.806,1288 1.439,1289 1.419,1290 1.625,1291 1.651,1292 0.818,1293 1.638,1294 1.215,1295 1.141,1296 1.562,1297 1.493,1298 0.696,1299 1.512,1300 1.177,1301 1.109,1302 1.522,1303 1.421,1304 0.579,1305 1.465,1306 1.057,1307 0.978,1308 1.417,1309 1.299,1310 0.544,1311 1.337,1312 4.29,1314 5.638,1316 7.182,1318 8.828,1320 10.535,1322 7.275,1327 52.056,1328 1.892,1330 10.621,1332 -3.006,1340 39.62,1341 90.582,1342 229.323,1343 307.206,1344 326.716,1345 340.98,1346 340.98,1347 132.331,1348 7.848,1349 136.68,1350 136.68,1351 18,1352 12.876,1353 4,1354 3.322,1355 67.541,1356 160,1357 190,1358 0.211,1359 243.615,1360 446.04,1361 586.179,1362 26456,1364 25.154,1365 0.74,1366 0.577,1367 25.154,1368 19.624,1369 16.044,1370 0.446,1371 0.303,1372 10.739,1373 15.391,1374 10.34,1375 8.628,1376 16.044,1377 10.903,1378 14.957,1379 0.288,1380 0.166,1381 14.957,1382 8.611,1383 12.278,1384 0.178,1385 0.083,1386 12.278,1387 5.752,1388 10.29,1389 0.114,1390 0.043,1391 10.29,1392 3.902,1393 7.336,1394 0.065,1395 0.022,1396 7.336,1397 2.501,1398 0.334,1399 101.659,1400 0.212,1401 31.564,1402 0.571,1403 176,1404 579.955,1405 195.708,1406 545.959,1407 718.95,1408 504,1409 209,1410 504.939,1411 230.704,1412 510.529,1413 750.73,1414 476,1415 4.79}
{0 CHEMBL2011404,1 1.359,2 14.031,3 5.965,4 35.575,5 124.938,6 7.074,7 0.353,8 4.202,9 4.299,10 3.695,11 3.724,12 5.35,13 3.699,14 4.721,15 4.881,16 4.056,17 4.1,18 5.788,19 4.059,20 4.969,21 5.118,22 4.215,23 4.267,24 6.127,25 4.22,26 5.15,27 5.347,28 4.213,29 4.3,30 6.397,31 4.221,32 5.16,33 5.395,34 4.041,35 4.263,36 6.199,37 4.153,38 5.038,39 5.262,40 4.05,41 4.167,42 6.183,43 4.085,44 4.939,45 5.111,46 3.953,47 4.103,48 6.176,49 4.028,50 5.005,51 5.254,52 3.861,53 4.031,54 6.065,55 3.928,56 0.075,57 0.771,58 13.565,59 6.468,60 17.943,61 7.898,62 0.166,63 1.237,64 24.316,65 10.472,66 26.11,67 13.36,68 0.343,69 1.54,70 31.641,71 12.926,72 52.751,73 16.315,74 0.903,75 1.747,76 40.308,77 14.81,78 132.047,79 19.547,80 0.653,81 1.748,82 41.478,83 14.954,84 103.352,85 20.151,86 0.637,87 1.55,88 36.526,89 13.193,90 97.934,91 17.631,92 0.541,93 1.414,94 32.224,95 11.836,96 102.351,97 14.988,98 0.578,99 1.454,100 36.159,101 12.43,102 88.553,103 16.94,104 75,105 48,106 0.219,107 0.56,108 0.766,109 0.837,110 0.871,111 0.871,112 3.502,113 0.939,114 -4.22,115 -4.16,116 -3.94,121 41.9,122 3,123 4,126 1,129 1,137 2,138 2,144 4,145 3,146 5,159 1,176 13,180 7,185 5,187 18,192 4,195 1,197 4,200 14,205 1,206 6,209 3,210 1,211 6,214 15,219 4,222 1,224 3,227 13,231 1,232 4,235 1,237 7,239 14,244 2,247 1,249 8,251 9,255 1,256 6,261 4,264 10,269 2,273 2,274 3,277 7,281 1840,282 20.938,283 20.938,284 20.938,285 20.938,286 20.938,287 18.511,288 29.022,289 12.128,290 21.28,291 16.655,292 16.655,293 16.655,294 16.655,295 16.655,296 13.04,297 36.544,298 5.654,299 17.168,300 4.596,301 2.49,302 1.211,303 0.775,304 0.565,305 0.565,306 4.178,312 1,313 930,314 4.123,318 291.452,322 154.773,325 2.596,326 46.908,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 70,338 449,339 4.616,340 3.762,341 6.906,342 4.255,343 3.277,344 4.33,345 1.277,346 11.5,347 3.204,348 4.281,349 3.258,350 6.267,351 3.91,352 2.944,353 3.915,354 1.151,355 9.441,356 2.844,357 3.968,358 3.214,359 6.077,360 3.647,361 2.681,362 3.329,363 0.86,364 8.615,365 2.598,366 3.755,367 3.005,368 5.881,369 3.416,370 2.439,371 3.015,372 0.68,373 8.021,374 2.381,375 3.687,376 2.822,377 5.242,378 3.344,379 2.351,380 2.976,381 0.68,382 6.291,383 2.311,384 3.618,385 2.638,386 5.035,387 3.174,388 2.175,389 2.862,390 0.68,391 6.072,392 2.172,393 3.401,394 2.525,395 4.806,396 3.012,397 2.057,398 2.678,400 5.134,401 1.952,402 3.086,403 2.28,404 4.642,405 2.698,406 1.711,407 2.201,409 4.905,410 1.668,411 2.848,412 1.963,413 4.41,414 2.423,415 1.49,416 1.978,418 4.059,419 1.383,420 2.613,421 1.744,422 4.133,423 2.32,424 1.368,425 1.622,427 3.602,428 1.288,429 2.244,430 1.543,431 3.696,432 2.14,433 1.15,434 1.215,436 2.589,437 1.135,438 1.915,439 1.397,440 3.236,441 1.802,442 0.828,443 0.869,445 1.872,446 0.801,447 1.752,448 1.035,449 3.113,450 1.472,451 0.59,452 0.666,454 1.033,455 0.515,456 1.35,457 0.891,458 2.905,459 1.037,460 0.058,461 0.067,463 0.144,464 0.056,465 1.209,466 0.521,467 2.776,468 0.879,469 -0.067,470 -0.08,472 -0.18,473 -0.063,474 15,475 0.469,476 0.966,477 0.03,478 37,479 1.156,480 18,481 0.563,482 19,483 0.594,484 32.298,485 1.009,486 36,487 0.581,488 31.248,489 0.976,490 7.297,491 0.228,492 7.908,493 0.247,494 0.222,496 0.4,501 0.894,502 1.106,503 0.875,504 1.087,505 0.88,506 0.995,507 0.834,508 1.03,509 0.777,510 1.007,511 0.608,512 0.9,513 1.018,514 1.251,515 1.011,516 1.232,517 0.993,518 1.138,519 0.853,520 1.07,521 0.956,522 1.069,523 0.853,524 1.039,525 0.982,526 0.923,527 0.956,528 0.923,529 1.137,530 0.933,531 0.935,532 0.904,533 0.857,534 0.895,535 1.043,536 0.866,537 1.346,538 1.206,539 1.259,540 1.204,541 1.47,542 1.213,543 0.999,544 0.888,545 0.867,546 0.877,547 1.027,548 0.851,549 7.5,550 0.206,551 4.222,552 2.75,553 2.373,554 1.5,555 0.851,556 0.675,557 0.427,558 0.349,559 13706,560 35479,561 1.958,562 48.4,563 15,564 10,567 3,568 2,572 1.743,573 1.778,574 3.706,575 0.791,582 84.232,583 1.359,584 3.464,585 4.744,586 5.179,587 5.389,588 5.389,589 3.254,590 4.664,591 4.958,592 3.916,593 1942.23,594 8.672,595 28790.8,600 369.16,601 1.561,602 4.895,603 0.221,604 0.008,605 0.088,606 0.052,607 0.047,608 0.035,609 0.019,610 0.018,611 0.012,612 0.011,613 0.511,614 0.33,615 1,616 1.844,617 169.825,618 -0.082,619 0.049,620 0.007,621 0.052,622 -0.119,623 0.048,624 -0.019,625 0.049,626 0.143,627 0.067,628 0.027,629 0.126,630 -0.012,631 -0.186,632 -0.063,633 -0.181,634 -0.055,635 -0.14,636 0.213,637 -0.071,638 0.032,639 -0.076,640 0.213,641 -0.061,642 -0.027,643 0.047,644 0.031,645 0.049,646 -0.08,647 0.051,648 0.069,649 0.073,650 0.136,651 0.082,652 0.071,653 0.116,654 -0.131,655 -0.191,656 -0.261,657 -0.206,658 -0.108,659 -0.251,660 0.015,661 0.054,662 0.143,663 0.07,664 0.018,665 0.122,666 1.978,667 5.874,668 0.5,669 42.906,670 1.004,671 1.121,672 2.994,673 8.966,674 0.648,675 3.555,676 3.892,677 4.143,678 4.394,679 4.625,680 4.804,681 4.89,682 5.043,683 5.193,684 5.263,685 7.894,686 0.616,687 438.56,688 3.555,689 5.106,690 5.953,691 6.838,692 7.708,693 8.604,694 9.486,695 10.388,696 11.278,697 12.185,715 4,720 8,722 12,727 1,738 3,739 2,741 62,743 15,744 2,745 34,747 64,748 26,749 12,750 8,751 4,752 1,756 3,757 4,763 3,767 2,770 5,772 17,773 9,777 3,782 1,784 2,786 3,793 30,794 6,795 3,796 6,808 0.667,809 6,829 3,833 1,849 2,850 2,859 2,864 4,868 32,875 3,876 4,878 2,880 1,893 9.7,895 3,896 1,898 2,901 18,902 12.183,903 7.111,904 3.608,907 2.788,908 1.362,909 0.901,910 7.777,911 10.5,912 3.784,913 4.382,914 4.883,915 5.398,916 5.912,917 6.214,918 6.453,919 6.801,920 7.198,921 7.515,922 0.9,923 53,924 11.965,926 5.145,927 0.026,929 7.927,931 22.395,933 18.132,936 2.427,937 77.667,941 317.82,942 135.902,945 175.195,948 135.902,949 493.014,951 37.359,952 10.138,953 56.857,954 158.328,955 48.415,957 317.82,959 317.82,960 135.902,961 175.195,964 317.82,965 175.195,968 36.614,969 80.336,970 18.952,972 317.82,973 175.195,974 135.902,977 317.82,978 41.686,979 94.216,981 175.195,982 317.82,983 175.195,984 135.902,986 0.585,987 0.337,988 0.174,989 0.09,990 21,991 12,992 0.109,993 7,994 1,995 1.125,996 4.176,997 283.371,998 0.125,999 16,1000 158,1005 24.053,1006 10.346,1007 5.618,1009 175.195,1010 6.166,1015 1.019,1017 128.05,1018 628.917,1019 43,1024 12.874,1026 4.122,1028 2.125,1031 62.218,1032 69.484,1034 0.228,1035 0.582,1036 0.797,1037 0.87,1038 0.905,1039 0.905,1040 5.043,1041 1.711,1042 5.964,1043 5.134,1044 4.575,1045 5.069,1046 2.413,1047 6.795,1048 4.517,1049 6.27,1050 1.49,1051 7.545,1052 4.905,1053 4.29,1054 5.017,1056 7.758,1057 4.205,1058 7.595,1059 1.368,1060 9.225,1061 4.059,1062 6.192,1063 7.246,1064 2.502,1065 10.86,1066 6.088,1067 8.951,1068 1.15,1069 10.961,1070 3.602,1071 6.673,1072 7.949,1074 12.631,1075 6.535,1076 10.334,1077 0.828,1078 12.734,1079 2.589,1080 8.095,1081 9.713,1082 2.756,1083 15.286,1084 7.942,1085 11.737,1086 0.59,1087 14.533,1088 1.872,1089 8.931,1090 10.776,1092 17.412,1093 8.743,1094 13.156,1095 0.058,1096 16.351,1097 1.033,1098 10.173,1099 12.358,1100 3.101,1101 19.913,1102 9.971,1103 3.277,1104 -0.067,1105 18.185,1106 0.144,1107 11.179,1108 13.605,1110 22.202,1111 10.945,1112 2.944,1113 11.5,1114 20.031,1115 -0.18,1116 12.358,1117 15.109,1118 3.493,1119 24.65,1120 12.106,1121 2.681,1122 9.441,1123 21.888,1124 4.33,1125 13.446,1126 16.453,1128 27.015,1129 13.166,1130 2.439,1131 8.615,1132 23.754,1133 3.915,1134 14.606,1135 17.925,1136 3.911,1137 29.448,1138 14.307,1139 2.351,1140 8.021,1141 25.628,1142 3.329,1143 15.734,1144 19.319,1146 31.85,1147 15.409,1148 2.175,1149 6.291,1150 27.508,1151 3.015,1152 16.892,1153 20.777,1154 4.347,1155 34.281,1156 16.548,1157 2.057,1158 6.072,1159 29.393,1160 2.976,1161 18.04,1162 22.199,1164 36.701,1165 17.673,1166 13718,1167 22363,1168 21.501,1169 40.148,1170 50.856,1171 52.369,1172 53.637,1173 50.284,1174 50.236,1175 63.442,1176 10.657,1177 146.559,1178 48.617,1179 5.562,1180 5.762,1181 6.467,1182 5.353,1183 5.277,1184 7.33,1185 2.555,1186 19.043,1187 5.204,1188 21.605,1189 1.496,1190 1.54,1191 1.578,1192 1.479,1193 1.478,1194 1.866,1195 0.313,1196 4.311,1197 1.43,1198 4.048,1199 4.056,1200 4.01,1201 3.959,1202 7.427,1203 3.968,1204 3.892,1205 3.908,1206 3.847,1207 3.82,1208 6.49,1209 3.823,1210 3.804,1211 3.845,1212 3.693,1213 3.716,1214 6.469,1215 3.705,1216 3.63,1217 3.677,1218 3.518,1219 3.53,1220 6.445,1221 3.519,1222 3.489,1223 3.52,1224 3.391,1225 3.341,1226 4.808,1227 3.348,1228 3.245,1229 3.304,1230 3.115,1231 3.03,1232 4.668,1233 3.018,1234 3.176,1235 3.256,1236 3.001,1237 2.978,1238 4.494,1239 2.99,1240 3.066,1241 3.124,1242 2.899,1243 2.859,1244 4.361,1245 2.851,1246 0.136,1247 0.111,1248 0.203,1249 0.125,1250 0.096,1251 4.616,1252 0.127,1253 3.762,1254 0.038,1255 6.906,1256 0.338,1257 4.255,1258 0.094,1259 3.277,1260 4.33,1261 1.277,1262 11.5,1263 3.204,1264 1.976,1265 1.968,1266 2.064,1267 2.086,1268 1.298,1269 2.074,1270 1.876,1271 1.858,1272 2.018,1273 1.977,1274 1.244,1275 1.989,1276 1.802,1277 1.764,1278 1.943,1279 1.922,1280 1.121,1281 1.933,1282 1.64,1283 1.595,1284 1.846,1285 1.783,1286 0.976,1287 1.808,1288 1.451,1289 1.419,1290 1.659,1291 1.642,1292 0.867,1293 1.645,1294 1.215,1295 1.141,1296 1.563,1297 1.49,1298 0.715,1299 1.512,1300 1.178,1301 1.108,1302 1.539,1303 1.419,1304 0.579,1305 1.465,1306 1.058,1307 0.978,1308 1.417,1309 1.295,1310 0.559,1311 1.336,1312 4.234,1314 5.565,1316 7.088,1318 8.711,1320 10.393,1322 7.579,1327 31.317,1328 2.139,1330 10.97,1332 -0.645,1340 38.191,1341 84.232,1342 214.783,1343 294.102,1344 321.121,1345 334.141,1346 334.141,1347 101.939,1348 7.712,1349 96.22,1350 96.22,1351 18,1352 12.706,1353 4,1354 3.322,1355 61.447,1356 150,1357 170,1358 0.203,1359 235.622,1360 428.46,1361 566.678,1362 22958,1364 23.413,1365 0.732,1366 0.592,1367 23.413,1368 18.936,1369 15.206,1370 0.447,1371 0.313,1372 10.513,1373 14.669,1374 10.087,1375 8.441,1376 15.206,1377 10.644,1378 14.008,1379 0.292,1380 0.174,1381 14.008,1382 8.336,1383 11.219,1384 0.181,1385 0.09,1386 11.219,1387 5.586,1388 9.362,1389 0.117,1390 0.047,1391 9.362,1392 3.761,1393 6.872,1394 0.068,1395 0.024,1396 6.872,1397 2.473,1398 0.324,1399 95.475,1400 0.216,1401 30.251,1402 0.545,1403 164,1404 501.656,1405 179.501,1406 476.302,1407 634.28,1408 442,1409 192,1410 450.636,1411 208.057,1412 457.651,1413 666.93,1414 427,1415 4.03}
{0 CHEMBL2011405,1 1.389,2 14.121,3 5.697,4 32.457,5 126.632,6 7.215,7 0.343,8 4.226,9 4.319,10 3.729,11 3.73,12 5.409,13 3.714,14 4.737,15 4.891,16 4.1,17 4.109,18 5.84,19 4.079,20 4.993,21 5.133,22 4.278,23 4.281,24 6.209,25 4.247,26 5.182,27 5.372,28 4.294,29 4.318,30 6.493,31 4.257,32 5.2,33 5.418,34 4.107,35 4.285,36 6.322,37 4.191,38 5.095,39 5.319,40 4.1,41 4.192,42 6.251,43 4.118,44 4.974,45 5.143,46 4.033,47 4.124,48 6.288,49 4.061,50 5.033,51 5.275,52 3.92,53 4.051,54 6.128,55 3.961,56 0.127,57 0.785,58 13.647,59 6.533,60 23.877,61 7.797,62 0.227,63 1.252,64 24.331,65 10.537,66 32.258,67 13.266,68 0.517,69 1.563,70 31.975,71 13.041,72 67.835,73 16.231,74 1.09,75 1.777,76 41.539,77 14.987,78 155.694,79 19.645,80 0.956,81 1.778,82 43.443,83 15.066,84 141.056,85 19.926,86 0.805,87 1.605,88 39.085,89 13.615,90 118.167,91 18.174,92 0.712,93 1.447,94 33.184,95 12.075,96 128.016,97 15.259,98 0.711,99 1.471,100 37.397,101 12.519,102 104.383,103 16.974,104 92,105 50,106 0.224,107 0.56,108 0.752,109 0.811,110 0.848,111 0.848,112 3.532,113 0.924,114 -3.47,115 -3.44,116 -3.29,121 41.3,122 3,123 4,126 1,129 1,137 2,138 2,144 3,145 3,146 6,159 1,176 12,180 6,185 6,187 17,192 4,195 2,197 4,200 13,205 1,206 5,209 3,210 2,211 7,214 14,219 4,222 2,224 4,227 13,231 1,232 3,235 1,237 7,239 12,244 2,247 2,249 10,251 9,255 1,256 6,261 2,264 9,269 2,273 4,274 4,277 6,281 1967,282 21.438,283 21.438,284 21.438,285 21.438,286 21.438,287 18.959,288 29.784,289 12.336,290 21.807,291 17.139,292 17.139,293 17.139,294 17.139,295 17.139,296 13.433,297 38.093,298 5.738,299 17.713,300 4.588,301 2.502,302 1.306,303 0.941,304 0.715,305 0.715,306 4.206,312 1,313 963,314 4.183,318 301.483,322 159.971,325 2.61,326 54.689,329 1,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.98,337 73,338 466,339 4.617,340 3.763,341 6.906,342 4.256,343 3.279,344 4.33,345 1.277,346 11.502,347 3.205,348 4.408,349 3.347,350 6.463,351 4.01,352 3.051,353 4.091,354 1.151,355 9.978,356 2.923,357 3.983,358 3.225,359 6.171,360 3.689,361 2.725,362 3.335,363 0.86,364 8.987,365 2.632,366 3.762,367 3.068,368 5.965,369 3.434,370 2.451,371 3.031,372 0.68,373 8.234,374 2.399,375 3.699,376 2.823,377 5.243,378 3.348,379 2.353,380 2.983,381 0.68,382 6.293,383 2.33,384 3.619,385 2.639,386 5.035,387 3.174,388 2.175,389 2.862,390 0.68,391 6.072,392 2.172,393 3.401,394 2.525,395 4.879,396 3.012,397 2.057,398 2.678,400 5.225,401 1.952,402 3.232,403 2.28,404 4.811,405 2.816,406 1.879,407 2.481,409 5.134,410 1.749,411 3.086,412 2.232,413 4.642,414 2.698,415 1.711,416 2.2,418 4.927,419 1.668,420 2.622,421 1.881,422 4.437,423 2.339,424 1.405,425 1.632,427 4.055,428 1.298,429 2.246,430 1.694,431 3.717,432 2.143,433 1.156,434 1.217,436 2.604,437 1.138,438 1.964,439 1.441,440 3.424,441 1.813,442 0.876,443 0.925,445 1.909,446 0.812,447 1.873,448 1.339,449 3.201,450 1.671,451 0.782,452 0.827,454 1.625,455 0.689,456 1.35,457 0.891,458 3.041,459 1.037,460 0.058,461 0.068,463 0.145,464 0.056,465 1.209,466 0.521,467 2.786,468 0.879,469 -0.067,470 -0.08,472 -0.179,473 -0.063,474 15.333,475 0.465,476 1.056,477 0.032,478 38.25,479 1.159,480 18.5,481 0.561,482 19.75,483 0.598,484 33.685,485 1.021,486 37.467,487 0.595,488 33.623,489 1.019,490 7.553,491 0.229,492 8.064,493 0.244,494 0.239,496 0.424,501 0.927,502 1.094,503 0.871,504 1.074,505 0.918,506 0.978,507 0.807,508 1.044,509 0.745,510 1.018,511 0.601,512 0.892,513 0.952,514 1.268,515 0.982,516 1.25,517 0.969,518 1.143,519 0.811,520 1.074,521 0.911,522 1.07,523 0.77,524 1.023,525 1.065,526 0.94,527 1.04,528 0.945,529 1.243,530 0.98,531 0.943,532 0.876,533 0.848,534 0.867,535 1.013,536 0.841,537 1.184,538 1.206,539 1.181,540 1.204,541 1.238,542 1.194,543 0.998,544 0.902,545 0.877,546 0.89,547 1.049,548 0.862,549 8,550 0.223,551 4.444,552 3.188,553 2.644,554 1.5,555 0.953,556 0.703,557 0.489,558 0.385,559 14663,560 40096,561 1.942,562 47.6,563 15,564 9,567 4,568 2,572 1.751,573 1.752,574 3.705,575 1.513,582 87.499,583 1.389,584 3.475,585 4.671,586 5.036,587 5.263,588 5.263,589 3.253,590 4.597,591 5.004,592 3.928,593 2073.79,594 8.763,595 31319.6,600 376.569,601 1.569,602 4.932,603 0.229,604 0.008,605 0.089,606 0.057,607 0.049,608 0.033,609 0.021,610 0.017,611 0.013,612 0.011,613 0.527,614 0.17,615 1,616 1.826,617 176.573,618 -0.106,619 0.074,620 -0.006,621 0.076,622 -0.138,623 0.061,624 -0.021,625 0.048,626 0.157,627 0.069,628 0.028,629 0.14,630 0.032,631 -0.192,632 -0.048,633 -0.188,634 -0.046,635 -0.145,636 0.226,637 -0.072,638 0.072,639 -0.074,640 0.243,641 -0.043,642 -0.042,643 0.032,644 -0.045,645 0.027,646 -0.122,647 -0.004,648 0.036,649 0.094,650 0.146,651 0.106,652 0.033,653 0.144,654 -0.054,655 -0.188,656 -0.198,657 -0.2,658 0.001,659 -0.227,660 -0.008,661 0.041,662 0.132,663 0.059,664 -0.022,665 0.116,666 2.144,667 5.897,668 0.485,669 44.092,670 1.009,671 1.122,672 2.235,673 4.996,674 0.644,675 3.584,676 3.932,677 4.19,678 4.454,679 4.663,680 4.852,681 4.942,682 5.094,683 5.268,684 5.323,685 7.978,686 0.618,687 454.56,688 3.584,689 5.142,690 5.994,691 6.887,692 7.76,693 8.662,694 9.547,695 10.454,696 11.347,697 12.259,715 3,720 9,722 12,727 1,738 4,739 2,741 63,743 15,744 2,745 35,747 65,748 26,749 12,750 9,751 3,752 1,756 3,757 4,763 3,767 2,770 5,772 17,773 9,777 3,782 1,784 2,786 3,793 30,794 7,795 4,796 7,808 0.667,809 7,829 3,833 1,849 2,850 2,859 2,864 4,868 33,875 4,876 4,878 2,880 1,893 11.1,895 4,896 1,898 2,901 18.833,902 12.3,903 7.306,904 3.61,907 2.807,908 1.36,909 0.886,910 7.976,911 10.598,912 3.807,913 4.419,914 4.927,915 5.454,916 5.951,917 6.272,918 6.501,919 6.843,920 7.258,921 7.57,922 0.9,923 56,924 12.367,926 5.391,927 0.026,929 8.025,931 22.871,933 18.548,936 2.525,937 83.333,941 306.049,942 126.426,945 217.878,948 126.426,949 523.927,951 37.359,952 10.138,953 47.381,954 201.012,955 48.415,957 306.049,959 306.049,960 126.426,961 217.878,964 306.049,965 217.878,968 36.614,969 70.86,970 18.952,972 306.049,973 217.878,974 126.426,977 306.049,978 41.686,979 84.74,981 217.878,982 306.049,983 217.878,984 126.426,986 0.588,987 0.341,988 0.18,989 0.09,990 22,991 13,992 0.108,993 7,994 1,995 1.125,996 4.205,997 298.048,998 0.125,999 16,1000 155.71,1005 24.995,1006 10.53,1007 5.653,1009 217.878,1010 4.015,1015 -0.413,1017 170.733,1018 650.353,1019 44,1024 12.897,1026 4.083,1028 2.009,1031 63.545,1032 70.694,1034 0.232,1035 0.581,1036 0.781,1037 0.843,1038 0.88,1039 0.88,1040 5.075,1041 1.879,1042 6.014,1043 5.225,1044 4.615,1045 5.106,1046 2.413,1047 6.86,1048 4.551,1049 6.311,1050 1.711,1051 7.605,1052 5.134,1053 4.369,1054 5.103,1056 7.847,1057 4.274,1058 7.644,1059 1.405,1060 9.295,1061 4.927,1062 6.248,1063 7.302,1064 2.502,1065 10.956,1066 6.133,1067 9.007,1068 1.156,1069 11.04,1070 4.055,1071 6.758,1072 8.046,1074 12.739,1075 6.604,1076 10.398,1077 0.876,1078 12.821,1079 2.604,1080 8.168,1081 9.793,1082 2.756,1083 15.4,1084 7.999,1085 11.807,1086 0.782,1087 14.627,1088 1.909,1089 9.026,1090 10.888,1092 17.528,1093 8.817,1094 13.233,1095 0.058,1096 16.452,1097 1.625,1098 10.265,1099 12.462,1100 3.101,1101 20.03,1102 10.039,1103 3.279,1104 -0.067,1105 18.292,1106 0.145,1107 11.286,1108 13.733,1110 22.315,1111 11.023,1112 3.051,1113 11.502,1114 20.144,1115 -0.179,1116 12.465,1117 15.235,1118 3.493,1119 24.76,1120 12.182,1121 2.725,1122 9.978,1123 22.005,1124 4.33,1125 13.561,1126 16.595,1128 27.118,1129 13.247,1130 2.451,1131 8.987,1132 23.875,1133 4.091,1134 14.723,1135 18.066,1136 3.911,1137 29.545,1138 14.387,1139 2.353,1140 8.234,1141 25.751,1142 3.335,1143 15.855,1144 19.47,1146 31.938,1147 15.491,1148 2.175,1149 6.293,1150 27.633,1151 3.031,1152 17.014,1153 20.929,1154 4.347,1155 34.363,1156 16.628,1157 2.057,1158 6.072,1159 29.519,1160 2.983,1161 18.164,1162 22.355,1164 36.775,1165 17.753,1166 14715,1167 24670,1168 21.907,1169 40.602,1170 52.523,1171 54.138,1172 55.872,1173 52.001,1174 51.915,1175 65.322,1176 10.657,1177 153.382,1178 50.05,1179 5.564,1180 5.763,1181 6.467,1182 5.356,1183 5.279,1184 7.33,1185 2.555,1186 19.044,1187 5.205,1188 23.32,1189 1.501,1190 1.547,1191 1.596,1192 1.486,1193 1.483,1194 1.866,1195 0.304,1196 4.382,1197 1.43,1198 4.05,1199 4.056,1200 4.013,1201 3.958,1202 7.427,1203 3.969,1204 3.897,1205 3.908,1206 3.861,1207 3.818,1208 6.496,1209 3.825,1210 3.805,1211 3.845,1212 3.693,1213 3.716,1214 6.485,1215 3.705,1216 3.631,1217 3.677,1218 3.52,1219 3.53,1220 6.446,1221 3.519,1222 3.49,1223 3.52,1224 3.393,1225 3.341,1226 6.445,1227 3.349,1228 3.245,1229 3.304,1230 3.116,1231 3.03,1232 4.751,1233 3.019,1234 3.176,1235 3.256,1236 3.001,1237 2.978,1238 4.638,1239 2.99,1240 3.067,1241 3.124,1242 2.9,1243 2.859,1244 4.494,1245 2.851,1246 0.132,1247 0.108,1248 0.197,1249 0.122,1250 0.094,1251 4.617,1252 0.124,1253 3.763,1254 0.036,1255 6.906,1256 0.329,1257 4.256,1258 0.092,1259 3.279,1260 4.33,1261 1.277,1262 11.502,1263 3.205,1264 1.974,1265 1.967,1266 2.061,1267 2.086,1268 1.298,1269 2.072,1270 1.871,1271 1.856,1272 2.011,1273 1.977,1274 1.243,1275 1.986,1276 1.801,1277 1.763,1278 1.932,1279 1.922,1280 1.119,1281 1.929,1282 1.64,1283 1.595,1284 1.842,1285 1.783,1286 0.974,1287 1.807,1288 1.45,1289 1.419,1290 1.654,1291 1.643,1292 0.858,1293 1.645,1294 1.215,1295 1.141,1296 1.562,1297 1.491,1298 0.714,1299 1.512,1300 1.178,1301 1.108,1302 1.537,1303 1.419,1304 0.579,1305 1.465,1306 1.058,1307 0.978,1308 1.417,1309 1.295,1310 0.558,1311 1.336,1312 4.263,1314 5.602,1316 7.133,1318 8.766,1320 10.459,1322 7.399,1327 41.406,1328 1.954,1330 10.794,1332 -0.811,1340 38.906,1341 87.499,1342 218.946,1343 294.265,1344 317.284,1345 331.549,1346 331.549,1347 117.453,1348 7.791,1349 116.45,1350 116.45,1351 18,1352 12.777,1353 4,1354 3.322,1355 64.493,1356 157,1357 180,1358 0.205,1359 239.618,1360 437.25,1361 576.429,1362 25141,1364 24.284,1365 0.736,1366 0.585,1367 24.284,1368 19.306,1369 15.616,1370 0.446,1371 0.308,1372 10.638,1373 15.017,1374 10.221,1375 8.541,1376 15.616,1377 10.784,1378 14.548,1379 0.291,1380 0.17,1381 14.548,1382 8.497,1383 11.589,1384 0.178,1385 0.087,1386 11.589,1387 5.659,1388 9.978,1389 0.117,1390 0.046,1391 9.978,1392 3.869,1393 7.006,1394 0.067,1395 0.024,1396 7.006,1397 2.494,1398 0.326,1399 98.516,1400 0.214,1401 30.951,1402 0.549,1403 170,1404 541.805,1405 187.605,1406 512.659,1407 678.61,1408 474,1409 200,1410 480.667,1411 218.493,1412 486.999,1413 711.21,1414 454,1415 4.581}
{0 CHEMBL2011483,1 1.311,2 15.098,3 9.318,4 86.833,5 173.305,6 6.893,7 0.468,8 4.483,9 4.612,10 4.003,11 4.104,12 5.385,13 4.04,14 5.087,15 5.273,16 4.397,17 4.562,18 5.921,19 4.466,20 5.428,21 5.668,22 4.515,23 4.746,24 6.207,25 4.619,26 5.472,27 5.728,28 4.486,29 4.729,30 6.243,31 4.595,32 5.452,33 5.698,34 4.404,35 4.738,36 6.197,37 4.591,38 5.517,39 5.78,40 4.358,41 4.761,42 6.205,43 4.578,44 5.529,45 5.812,46 4.219,47 4.709,48 6.184,49 4.495,50 5.428,51 5.722,52 4.11,53 4.578,54 6.061,55 4.349,56 0.086,57 1.153,58 18.649,59 8.087,60 10.742,61 11.435,62 0.182,63 2.02,64 35.887,65 14.791,66 22.581,67 21.087,68 0.336,69 2.724,70 53.983,71 20.27,72 39.289,73 29.23,74 0.49,75 2.853,76 56.585,77 20.321,78 47.308,79 29.694,80 0.406,81 2.808,82 53.883,83 19.964,84 39.184,85 29.118,86 0.374,87 2.844,88 58.714,89 23.289,90 39.754,91 33.422,92 0.415,93 2.786,94 62.728,95 23.929,96 43.403,97 34.077,98 0.338,99 2.426,100 59.154,101 22.301,102 38.722,103 31.501,104 5,105 67,106 0.197,107 0.507,108 0.704,109 0.838,110 0.864,111 0.871,112 3.741,113 1.034,114 -6.93,115 -6.74,116 -6.24,121 43.9,122 1,123 11,124 2,127 2,137 1,138 1,144 7,145 4,146 3,148 4,176 22,180 8,185 6,187 30,192 7,197 6,200 20,206 7,209 2,211 11,214 23,219 1,224 6,227 24,232 3,237 3,239 35,244 2,248 1,251 30,256 2,264 26,269 2,274 4,277 17,281 3302,282 28.515,283 28.515,284 28.515,285 28.515,286 28.515,287 25.656,288 30.006,289 17.051,290 28.875,291 23.339,292 23.339,293 23.339,294 23.339,295 23.339,296 18.837,297 33.216,298 8.229,299 23.987,300 5.046,301 2.986,302 1.679,303 0.79,304 0.619,305 0.57,306 4.472,308 1,313 1415,314 3.873,318 629.12,320 114.214,322 617.272,324 176.525,325 1.891,326 21.481,329 0.5,330 0.5,331 0.5,332 0.6,333 0.5,334 0.67,335 1,336 0.61,337 84.333,338 619,339 4.686,340 3.508,341 6.986,342 4.303,343 3.319,344 4.594,345 0.68,346 11.934,347 3.265,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 4.564,354 0.4,355 11.348,356 3.162,357 4.143,358 3.064,359 6.24,360 3.826,361 2.84,362 3.624,363 0.4,364 9.32,365 2.801,366 3.914,367 2.858,368 5.982,369 3.524,370 2.532,371 3.437,373 8.37,374 2.512,375 3.814,376 2.669,377 5.569,378 3.416,379 2.452,380 3.131,382 7.471,383 2.369,384 3.568,385 2.547,386 5.39,387 3.202,388 2.229,389 2.925,391 6.847,392 2.167,393 3.522,394 2.457,395 5.381,396 3.136,397 2.182,398 2.893,400 6.711,401 2.079,402 3.406,403 2.356,404 5.126,405 3.015,406 2.084,407 2.725,409 6.137,410 1.925,411 3.012,412 2.145,413 4.836,414 2.873,415 1.908,416 2.142,418 5.357,419 1.815,420 2.941,421 1.961,422 4.666,423 2.805,424 1.821,425 2.045,427 4.874,428 1.773,429 2.91,430 1.85,431 4.116,432 2.643,433 1.671,434 1.927,436 3.796,437 1.581,438 2.852,439 1.659,440 4.049,441 2.52,442 1.536,443 1.875,445 3.427,446 1.51,447 2.654,448 1.513,449 3.976,450 2.44,451 1.46,452 1.688,454 3.329,455 1.428,456 2.58,457 1.438,458 3.819,459 2.345,460 1.347,461 1.602,463 3.214,464 1.343,465 2.489,466 1.35,467 3.635,468 2.242,469 1.247,470 1.489,472 2.902,473 1.24,474 20.314,475 0.495,476 0.88,477 0.021,478 47.75,479 1.165,480 22,481 0.537,482 25.75,483 0.628,484 49.156,485 1.199,486 43.286,487 0.528,488 32.896,489 0.802,490 7.913,491 0.193,492 12.223,493 0.298,494 0.06,496 0.345,501 0.812,502 1.159,503 0.768,504 0.974,505 0.724,506 0.951,507 0.824,508 1.189,509 0.815,510 1.024,511 0.655,512 1.005,513 1.021,514 1.111,515 0.886,516 0.972,517 0.934,518 0.953,519 1.063,520 1.037,521 0.858,522 0.933,523 0.889,524 0.941,525 1.28,526 1.029,527 0.962,528 0.99,529 1.1,530 1.053,531 0.739,532 1.05,533 0.901,534 1.067,535 0.788,536 1.088,537 0.93,538 0.944,539 1.053,540 1.048,541 1.043,542 1.075,543 0.871,544 0.939,545 1.073,546 1.029,547 0.978,548 1.024,549 6.5,550 0.111,551 3.556,552 3.25,553 2.702,554 1.292,555 0.824,556 0.587,557 0.324,558 0.231,559 34409,560 67374,561 2.221,562 50,563 19,564 12,567 2,568 4,569 4,572 1.801,573 2.139,574 3.76,575 0.016,582 107.542,583 1.311,584 3.371,585 4.678,586 5.568,587 5.739,588 5.787,589 2.989,590 4.919,591 5.339,592 4.051,593 3321.62,594 9.394,595 62882.7,600 521.319,601 1.177,602 5.314,603 0.138,604 0.003,605 0.053,606 0.045,607 0.039,608 0.021,609 0.014,610 0.012,611 0.008,612 0.007,613 0.341,614 0.33,615 0.63,616 0.343,617 236.8,618 0.002,619 -0.002,620 0.048,621 0.045,622 0.058,623 0.058,624 0.023,625 -0.099,626 0.03,627 -0.026,628 0.144,629 -0.008,630 0.005,631 -0.071,632 0.033,633 0.001,634 0.034,635 0.024,636 0.077,637 0.016,638 0.03,639 0.011,640 0.091,641 0.015,642 -0.2,643 0.04,644 -0.118,645 -0.046,646 -0.194,647 -0.096,648 0.014,649 -0.071,650 -0.04,651 -0.085,652 -0.023,653 -0.096,654 -0.057,655 0.003,656 -0.08,657 -0.058,658 -0.13,659 -0.082,660 0.001,661 -0.037,663 -0.017,664 -0.021,665 -0.017,666 0.906,667 2.27,668 0.756,669 44.182,670 0.982,671 1.12,672 5.7,673 32.49,674 0.675,675 3.871,676 4.22,677 4.554,678 4.92,679 5.247,680 5.412,681 5.587,682 5.768,683 5.846,684 5.869,685 9.554,686 0.621,687 565.26,688 3.871,689 5.434,690 6.312,691 7.217,692 8.116,693 9.033,694 9.942,695 10.864,696 11.777,697 12.702,698 4.9,703 2,708 2,714 4,715 7,716 2,720 7,722 22,734 2,740 1,741 82,743 23,744 2,745 47,747 88,748 36,749 18,750 5,751 7,756 7,757 16,758 1,763 1,767 7,768 2,770 11,772 20,773 16,774 2,777 1,784 1,786 1,793 41,794 4,795 2,796 5,797 1,802 4,808 0.286,822 2,829 7,831 1,833 4,835 1,849 1,850 1,859 2,864 1,865 1,868 41,876 13,877 2,880 2,892 1,901 19.167,902 14.876,903 8.833,904 5.75,907 5.07,908 1.527,909 1.034,910 7.82,911 14.692,912 4.094,913 4.727,914 5.368,915 6.028,916 6.665,917 7.062,918 7.482,919 7.903,920 8.241,921 8.309,922 1,923 73,924 15.271,926 6.63,927 0.026,929 7.336,931 30.918,933 27.34,936 1.836,937 75.278,941 459.073,942 150.245,943 69.593,944 39.149,948 150.245,949 498.222,950 69.593,951 8.825,952 32.091,953 75.81,954 69.593,955 33.519,957 459.073,958 39.149,959 459.073,960 219.838,962 39.149,964 411.989,965 47.084,968 50.718,969 90.05,970 118.217,972 459.073,973 69.593,974 189.394,977 459.073,978 65.61,979 84.635,980 36.022,981 72.72,982 459.073,983 69.593,984 189.394,986 0.579,987 0.341,988 0.205,989 0.123,990 35,991 14,992 0.102,993 9,994 6,995 1.355,996 5.187,997 430.883,998 0.387,999 30,1000 219.66,1005 27.078,1006 11.84,1007 5.549,1008 4.651,1009 69.593,1010 14.834,1011 10.119,1015 8.948,1017 36.022,1018 718.059,1019 59,1026 2.483,1028 1.535,1031 80.519,1032 91.826,1034 0.206,1035 0.53,1036 0.736,1037 0.876,1038 0.903,1039 0.91,1040 5.359,1041 2.084,1042 6.293,1043 6.711,1044 4.905,1045 5.416,1046 0.942,1047 7.144,1048 4.854,1049 6.561,1050 1.908,1051 7.864,1052 6.137,1053 4.443,1054 5.301,1056 8.097,1057 4.354,1058 7.882,1059 1.821,1060 9.538,1061 5.357,1062 6.521,1063 7.679,1064 0.425,1065 11.277,1066 6.432,1067 9.24,1068 1.671,1069 11.278,1070 4.874,1071 6.909,1072 8.434,1074 13.105,1075 6.795,1076 10.636,1077 1.536,1078 13.061,1079 3.796,1080 8.436,1081 10.293,1082 0.194,1083 15.802,1084 8.317,1085 12.059,1086 1.46,1087 14.874,1088 3.427,1089 9.246,1090 11.456,1092 17.997,1093 9.107,1094 13.503,1095 1.347,1096 16.71,1097 3.329,1098 10.55,1099 13.109,1100 0.09,1101 20.532,1102 10.401,1103 3.319,1104 1.247,1105 18.563,1106 3.214,1107 11.563,1108 14.466,1110 22.881,1111 11.396,1112 3.226,1113 11.934,1114 20.429,1115 2.902,1116 12.781,1117 16.036,1118 0.042,1119 25.363,1120 12.601,1121 2.84,1122 11.348,1123 22.307,1124 4.594,1125 13.887,1126 17.481,1128 27.775,1129 13.69,1130 2.532,1131 9.32,1132 24.194,1133 4.564,1134 15.075,1135 19.019,1136 0.019,1137 30.241,1138 14.863,1139 2.452,1140 8.37,1141 26.087,1142 3.624,1143 16.223,1144 20.505,1146 32.681,1147 15.993,1148 2.229,1149 7.471,1150 27.987,1151 3.437,1152 17.404,1153 22.031,1154 0.009,1155 35.142,1156 17.157,1157 2.182,1158 6.847,1159 29.892,1160 3.131,1161 18.571,1162 23.536,1164 37.595,1165 18.307,1166 30638,1167 43093,1168 32.709,1169 55.347,1170 70.57,1171 71.108,1172 71.985,1173 70.449,1174 70.261,1175 88.786,1176 2.96,1177 205.861,1178 68.269,1179 5.647,1180 5.508,1181 6.873,1182 5.345,1183 5.319,1184 7.594,1185 1.36,1186 19.51,1187 5.265,1188 12.985,1189 1.501,1190 1.513,1191 1.532,1192 1.499,1193 1.495,1194 1.889,1195 0.063,1196 4.38,1197 1.453,1198 4.157,1199 4.187,1200 4.146,1201 4.087,1202 5.043,1203 4.089,1204 4.096,1205 4.125,1206 4.066,1207 4.028,1208 4.968,1209 4.032,1210 3.874,1211 3.908,1212 3.866,1213 3.813,1214 4.697,1215 3.802,1216 3.75,1217 3.816,1218 3.623,1219 3.652,1220 4.432,1221 3.638,1222 3.731,1223 3.78,1224 3.613,1225 3.615,1226 4.413,1227 3.598,1228 3.529,1229 3.603,1230 3.554,1231 3.404,1232 4.281,1233 3.397,1234 3.448,1235 3.503,1236 3.335,1237 3.309,1238 4.208,1239 3.301,1240 3.297,1241 3.369,1242 3.199,1243 3.16,1244 4.069,1245 3.15,1246 0.1,1247 0.075,1248 0.149,1249 0.092,1250 0.071,1251 4.686,1252 0.098,1253 3.508,1254 0.014,1255 6.986,1256 0.254,1257 4.303,1258 0.069,1259 3.319,1260 4.594,1261 0.68,1262 11.934,1263 3.265,1264 2.098,1265 2.073,1266 2.188,1267 2.182,1268 1.536,1269 2.186,1270 2.072,1271 2.046,1272 2.159,1273 2.163,1274 1.436,1275 2.163,1276 1.881,1277 1.851,1278 2.02,1279 1.973,1280 1.365,1281 1.993,1282 1.759,1283 1.709,1284 1.987,1285 1.923,1286 1.188,1287 1.953,1288 1.753,1289 1.694,1290 1.948,1291 1.872,1292 1.15,1293 1.902,1294 1.516,1295 1.456,1296 1.771,1297 1.726,1298 1.052,1299 1.746,1300 1.451,1301 1.392,1302 1.69,1303 1.601,1304 0.918,1305 1.635,1306 1.291,1307 1.231,1308 1.518,1309 1.487,1310 0.777,1311 1.505,1312 4.554,1314 5.894,1316 7.447,1318 9.113,1320 10.844,1322 2.298,1323 6.381,1328 15.09,1329 7.737,1332 1.201,1340 50.922,1341 107.542,1342 276.436,1343 383.61,1344 456.564,1345 470.564,1346 474.564,1347 59.394,1348 9.622,1349 49.84,1350 49.84,1351 42,1352 13.209,1353 4.585,1354 3.7,1355 54.693,1356 246,1357 173,1358 0.106,1359 307.65,1360 531.41,1361 742.425,1362 314587,1363 1.2,1364 27.761,1365 0.677,1366 0.61,1367 28.261,1368 24.994,1369 20.136,1370 0.428,1371 0.345,1372 15.773,1373 19.569,1374 15.365,1375 12.674,1376 20.425,1377 16.192,1378 18.268,1379 0.273,1380 0.193,1381 18.676,1382 12.963,1383 15.721,1384 0.167,1385 0.103,1386 15.983,1387 9.716,1388 14.457,1389 0.106,1390 0.058,1391 14.691,1392 7.847,1393 12.622,1394 0.067,1395 0.032,1396 12.853,1397 6.045,1398 0.173,1399 125.717,1400 0.175,1401 37.143,1402 0.272,1403 228,1404 456.159,1405 251.068,1406 491.433,1407 698.66,1408 466,1409 275,1410 518.877,1411 293.418,1412 542.439,1413 807.08,1414 517,1415 9.051}
{0 CHEMBL2011484,1 1.303,2 15.952,3 9.775,4 95.543,5 177.906,6 6.815,7 0.458,8 4.515,9 4.645,10 4.024,11 4.132,12 5.409,13 4.067,14 5.121,15 5.309,16 4.414,17 4.59,18 5.946,19 4.49,20 5.464,21 5.708,22 4.53,23 4.772,24 6.232,25 4.642,26 5.506,27 5.765,28 4.501,29 4.756,30 6.267,31 4.618,32 5.487,33 5.736,34 4.42,35 4.765,36 6.222,37 4.615,38 5.55,39 5.815,40 4.376,41 4.788,42 6.23,43 4.602,44 5.562,45 5.846,46 4.238,47 4.736,48 6.207,49 4.52,50 5.465,51 5.762,52 4.133,53 4.608,54 6.095,55 4.378,56 0.09,57 1.194,58 19.552,59 8.453,60 11.154,61 11.985,62 0.191,63 2.088,64 37.484,65 15.421,66 23.324,67 22.04,68 0.348,69 2.81,70 56.091,71 21.079,72 40.216,73 30.48,74 0.501,75 2.936,76 58.642,77 21.103,78 48.172,79 30.92,80 0.415,81 2.892,82 56.008,83 20.782,84 39.993,85 30.395,86 0.384,87 2.926,88 60.703,89 24.077,90 40.546,91 34.607,92 0.397,93 2.863,94 64.513,95 24.608,96 42.823,97 35.145,98 0.384,99 2.516,100 61.073,101 22.955,102 40.72,103 32.468,104 5,105 68,106 0.195,107 0.497,108 0.693,109 0.831,110 0.866,111 0.873,112 3.764,113 1.043,114 -7.11,115 -6.9,116 -6.38,121 43.5,122 1,123 12,124 2,127 2,137 1,138 1,144 7,145 4,146 3,148 4,176 23,180 8,185 6,187 31,192 7,197 6,200 21,206 7,209 2,211 11,214 24,219 1,224 6,227 24,232 3,237 5,239 35,244 2,251 30,256 2,260 1,264 30,269 2,277 21,281 3548,282 29.223,283 29.223,284 29.223,285 29.223,286 29.223,287 26.363,288 30.006,289 17.551,290 29.582,291 23.839,292 23.839,293 23.839,294 23.839,295 23.839,296 19.337,297 33.216,298 8.479,299 24.487,300 5.107,301 3.084,302 1.778,303 0.85,304 0.621,305 0.574,306 4.495,308 1,313 1529,314 4,318 664.414,320 120.325,322 652.585,324 186.291,325 2.018,326 21.534,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.67,335 1,336 0.59,337 86.333,338 670,339 4.686,340 3.508,341 6.986,342 4.303,343 3.319,344 4.594,345 0.68,346 11.934,347 3.265,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 4.564,354 0.4,355 11.348,356 3.162,357 4.143,358 3.064,359 6.24,360 3.826,361 2.84,362 3.624,363 0.4,364 9.32,365 2.801,366 3.914,367 2.858,368 5.982,369 3.524,370 2.532,371 3.437,373 8.37,374 2.512,375 3.814,376 2.669,377 5.569,378 3.416,379 2.452,380 3.131,382 7.471,383 2.369,384 3.568,385 2.547,386 5.39,387 3.202,388 2.229,389 2.925,391 6.847,392 2.167,393 3.522,394 2.457,395 5.381,396 3.136,397 2.182,398 2.893,400 6.711,401 2.08,402 3.406,403 2.356,404 5.126,405 3.015,406 2.084,407 2.725,409 6.137,410 1.929,411 3.012,412 2.146,413 4.836,414 2.889,415 1.917,416 2.142,418 5.357,419 1.845,420 2.942,421 1.964,422 4.666,423 2.82,424 1.841,425 2.045,427 4.874,428 1.773,429 2.917,430 1.87,431 4.116,432 2.658,433 1.686,434 1.932,436 3.83,437 1.599,438 2.866,439 1.692,440 4.049,441 2.541,442 1.561,443 1.889,445 3.477,446 1.523,447 2.683,448 1.542,449 3.98,450 2.496,451 1.505,452 1.714,454 3.329,455 1.489,456 2.592,457 1.445,458 3.845,459 2.345,460 1.347,461 1.619,463 3.256,464 1.343,465 2.494,466 1.352,467 3.662,468 2.242,469 1.249,470 1.494,472 2.979,473 1.24,474 20.814,475 0.496,476 0.88,477 0.021,478 48.25,479 1.149,480 22,481 0.524,482 26.25,483 0.625,484 51.197,485 1.219,486 44.586,487 0.525,488 33.002,489 0.786,490 7.913,491 0.188,492 12.723,493 0.303,494 0.058,496 0.336,501 0.815,502 1.168,503 0.781,504 0.987,505 0.725,506 0.964,507 0.826,508 1.197,509 0.827,510 1.036,511 0.656,512 1.018,513 1.015,514 1.107,515 0.884,516 0.97,517 0.927,518 0.951,519 1.058,520 1.035,521 0.858,522 0.932,523 0.884,524 0.94,525 1.271,526 1.027,527 0.959,528 0.987,529 1.091,530 1.048,531 0.739,532 1.048,533 0.9,534 1.063,535 0.785,536 1.082,537 0.956,538 0.971,539 1.049,540 1.049,541 1.049,542 1.071,543 0.89,544 0.898,545 1.071,546 1.006,547 0.988,548 1.009,549 6.5,550 0.144,551 3.556,552 3.25,553 2.702,554 1.292,555 0.824,556 0.587,557 0.324,558 0.251,559 37826,560 73281,561 2.215,562 50.6,563 21,564 12,567 2,568 4,569 4,572 1.805,573 2.136,574 3.823,575 0.007,582 110.719,583 1.303,584 3.326,585 4.631,586 5.559,587 5.789,588 5.836,589 3.033,590 4.803,591 5.374,592 4.128,593 3554.24,594 9.455,595 69786.6,600 544.798,601 1.166,602 5.35,603 0.135,604 0.004,605 0.052,606 0.044,607 0.039,608 0.02,609 0.014,610 0.012,611 0.008,612 0.007,613 0.336,614 0.33,615 0.63,616 0.338,617 245.677,618 0.005,619 -0.002,620 0.048,621 0.044,622 0.064,623 0.057,624 0.025,625 -0.103,626 0.027,627 -0.031,628 0.147,629 -0.013,630 0.011,631 -0.067,632 0.038,633 0.005,634 0.043,635 0.029,636 0.083,637 0.016,638 0.034,639 0.014,640 0.098,641 0.019,642 -0.19,643 0.041,644 -0.109,645 -0.04,646 -0.182,647 -0.088,648 0.017,649 -0.068,650 -0.035,651 -0.079,652 -0.018,653 -0.09,654 -0.082,655 -0.023,656 -0.076,657 -0.06,658 -0.137,659 -0.08,660 0.017,661 0.011,663 -0.001,664 -0.019,665 -0.009,666 0.904,667 2.27,668 0.738,669 47.143,670 0.981,671 1.12,672 5.875,673 34.517,674 0.672,675 3.892,676 4.234,677 4.564,678 4.927,679 5.252,680 5.416,681 5.591,682 5.771,683 5.849,684 5.872,685 10.078,686 0.617,687 579.29,688 3.892,689 5.451,690 6.326,691 7.229,692 8.126,693 9.041,694 9.948,695 10.869,696 11.781,697 12.705,698 4.7,703 2,708 2,714 4,715 7,716 2,720 7,722 22,734 2,740 1,741 85,743 23,744 2,745 48,747 91,748 37,749 18,750 5,751 7,756 7,757 16,758 1,763 1,767 7,768 2,770 12,772 20,773 17,774 2,777 1,784 1,786 1,793 43,794 4,795 2,796 5,797 1,802 4,808 0.286,822 2,829 7,831 1,833 4,835 1,849 1,850 1,859 2,864 1,865 1,868 42,876 14,877 2,880 2,892 1,901 19.667,902 15.376,903 9.083,904 6,907 5.056,908 1.525,909 1.029,910 8.304,911 14.694,912 4.111,913 4.736,914 5.373,915 6.03,916 6.666,917 7.063,918 7.483,919 7.903,920 8.241,921 8.31,922 0.9,923 74,924 15.649,926 6.773,927 0.026,929 7.328,931 31.735,933 28.007,936 1.828,937 76.778,941 482.615,942 152.779,943 69.593,944 39.149,948 152.779,949 521.764,950 69.593,951 8.825,952 34.626,953 75.81,954 69.593,955 33.519,957 482.615,958 39.149,959 482.615,960 222.372,962 39.149,964 435.531,965 47.084,968 53.253,969 90.05,970 118.217,972 482.615,973 69.593,974 191.928,977 482.615,978 68.144,979 84.635,980 36.022,981 72.72,982 482.615,983 69.593,984 191.928,986 0.577,987 0.339,988 0.203,989 0.122,990 35,991 14,992 0.11,993 10,994 6,995 1.355,996 5.303,997 439.516,998 0.387,999 30,1000 224.477,1005 28.018,1006 12.448,1007 5.9,1008 4.669,1009 69.593,1010 14.852,1011 10.119,1015 8.98,1017 36.022,1018 744.136,1019 60,1026 2.485,1028 1.538,1031 83.403,1032 95.241,1034 0.203,1035 0.519,1036 0.723,1037 0.867,1038 0.903,1039 0.911,1040 5.373,1041 2.084,1042 6.304,1043 6.711,1044 4.92,1045 5.425,1046 0.942,1047 7.151,1048 4.87,1049 6.571,1050 1.917,1051 7.871,1052 6.137,1053 4.443,1054 5.301,1056 8.097,1057 4.354,1058 7.889,1059 1.841,1060 9.543,1061 5.357,1062 6.529,1063 7.682,1064 0.425,1065 11.278,1066 6.441,1067 9.245,1068 1.686,1069 11.281,1070 4.874,1071 6.909,1072 8.434,1074 13.105,1075 6.795,1076 10.639,1077 1.561,1078 13.062,1079 3.83,1080 8.441,1081 10.293,1082 0.194,1083 15.802,1084 8.322,1085 12.061,1086 1.505,1087 14.875,1088 3.477,1089 9.246,1090 11.456,1092 17.997,1093 9.107,1094 13.505,1095 1.347,1096 16.71,1097 3.329,1098 10.552,1099 13.109,1100 0.09,1101 20.532,1102 10.403,1103 3.319,1104 1.249,1105 18.563,1106 3.256,1107 11.563,1108 14.466,1110 22.881,1111 11.396,1112 3.226,1113 11.934,1114 20.43,1115 2.979,1116 12.782,1117 16.036,1118 0.042,1119 25.363,1120 12.602,1121 2.84,1122 11.348,1123 22.307,1124 4.594,1125 13.887,1126 17.481,1128 27.775,1129 13.69,1130 2.532,1131 9.32,1132 24.194,1133 4.564,1134 15.076,1135 19.019,1136 0.019,1137 30.241,1138 14.863,1139 2.452,1140 8.37,1141 26.087,1142 3.624,1143 16.223,1144 20.505,1146 32.681,1147 15.993,1148 2.229,1149 7.471,1150 27.987,1151 3.437,1152 17.404,1153 22.031,1154 0.009,1155 35.142,1156 17.158,1157 2.182,1158 6.847,1159 29.892,1160 3.131,1161 18.571,1162 23.536,1164 37.595,1165 18.307,1166 33707,1167 47149,1168 33.402,1169 57.109,1170 71.844,1171 72.344,1172 73.275,1173 71.767,1174 71.586,1175 90.122,1176 2.96,1177 208.544,1178 69.592,1179 5.651,1180 5.508,1181 6.893,1182 5.345,1183 5.319,1184 7.594,1185 1.36,1186 19.51,1187 5.265,1188 13.249,1189 1.497,1190 1.507,1191 1.527,1192 1.495,1193 1.491,1194 1.878,1195 0.062,1196 4.345,1197 1.45,1198 4.157,1199 4.188,1200 4.146,1201 4.087,1202 5.043,1203 4.089,1204 4.097,1205 4.126,1206 4.066,1207 4.028,1208 4.968,1209 4.032,1210 3.874,1211 3.908,1212 3.866,1213 3.813,1214 4.697,1215 3.802,1216 3.767,1217 3.833,1218 3.627,1219 3.654,1220 4.432,1221 3.64,1222 3.732,1223 3.781,1224 3.615,1225 3.636,1226 4.413,1227 3.619,1228 3.57,1229 3.646,1230 3.569,1231 3.423,1232 4.281,1233 3.415,1234 3.461,1235 3.511,1236 3.381,1237 3.355,1238 4.219,1239 3.344,1240 3.334,1241 3.413,1242 3.206,1243 3.18,1244 4.076,1245 3.173,1246 0.098,1247 0.073,1248 0.146,1249 0.09,1250 0.069,1251 4.686,1252 0.096,1253 3.508,1254 0.014,1255 6.986,1256 0.249,1257 4.303,1258 0.068,1259 3.319,1260 4.594,1261 0.68,1262 11.934,1263 3.265,1264 2.098,1265 2.073,1266 2.188,1267 2.182,1268 1.536,1269 2.186,1270 2.072,1271 2.046,1272 2.159,1273 2.163,1274 1.437,1275 2.163,1276 1.881,1277 1.851,1278 2.033,1279 1.974,1280 1.386,1281 1.995,1282 1.778,1283 1.716,1284 1.993,1285 1.937,1286 1.199,1287 1.967,1288 1.754,1289 1.708,1290 1.949,1291 1.872,1292 1.158,1293 1.902,1294 1.567,1295 1.497,1296 1.829,1297 1.77,1298 1.115,1299 1.794,1300 1.463,1301 1.416,1302 1.691,1303 1.605,1304 0.918,1305 1.637,1306 1.324,1307 1.257,1308 1.58,1309 1.542,1310 0.823,1311 1.562,1312 4.575,1314 5.911,1316 7.459,1318 9.121,1320 10.849,1322 2.3,1323 6.381,1328 16.505,1329 7.74,1332 1.208,1340 52.449,1341 110.719,1342 282.682,1343 393.637,1344 472.534,1345 492.043,1346 496.043,1347 61.93,1348 9.637,1349 49.84,1350 49.84,1351 42,1352 13.213,1353 4.585,1354 3.7,1355 56.755,1356 267,1357 184,1358 0.101,1359 317.242,1360 548.71,1361 765.831,1362 329678,1363 1.2,1364 28.468,1365 0.678,1366 0.612,1367 28.968,1368 25.701,1369 20.636,1370 0.43,1371 0.348,1372 16.273,1373 20.069,1374 15.855,1375 13.091,1376 20.925,1377 16.692,1378 18.622,1379 0.274,1380 0.196,1381 19.03,1382 13.317,1383 15.971,1384 0.168,1385 0.105,1386 16.233,1387 9.966,1388 14.634,1389 0.107,1390 0.059,1391 14.868,1392 8.024,1393 12.747,1394 0.067,1395 0.032,1396 12.978,1397 6.17,1398 0.167,1399 128.717,1400 0.173,1401 38.077,1402 0.257,1403 232,1404 460.159,1405 255.068,1406 495.594,1407 704.42,1408 470,1409 279,1410 522.877,1411 297.418,1412 546.601,1413 812.84,1414 521,1415 8.724}
{0 CHEMBL2011485,1 1.303,2 15.952,3 9.775,4 95.543,5 177.906,6 6.815,7 0.458,8 4.515,9 4.645,10 4.024,11 4.132,12 5.409,13 4.067,14 5.121,15 5.309,16 4.414,17 4.59,18 5.946,19 4.49,20 5.464,21 5.708,22 4.53,23 4.772,24 6.232,25 4.642,26 5.506,27 5.765,28 4.501,29 4.756,30 6.267,31 4.618,32 5.487,33 5.736,34 4.42,35 4.765,36 6.222,37 4.615,38 5.55,39 5.815,40 4.376,41 4.788,42 6.23,43 4.602,44 5.562,45 5.846,46 4.238,47 4.736,48 6.207,49 4.52,50 5.465,51 5.762,52 4.133,53 4.608,54 6.095,55 4.378,56 0.09,57 1.194,58 19.552,59 8.453,60 11.154,61 11.985,62 0.191,63 2.088,64 37.484,65 15.421,66 23.324,67 22.04,68 0.348,69 2.81,70 56.091,71 21.079,72 40.216,73 30.48,74 0.501,75 2.936,76 58.642,77 21.103,78 48.172,79 30.92,80 0.415,81 2.892,82 56.008,83 20.782,84 39.993,85 30.395,86 0.384,87 2.926,88 60.703,89 24.077,90 40.546,91 34.607,92 0.397,93 2.863,94 64.513,95 24.608,96 42.823,97 35.145,98 0.384,99 2.516,100 61.073,101 22.955,102 40.72,103 32.468,104 5,105 68,106 0.195,107 0.497,108 0.693,109 0.831,110 0.866,111 0.873,112 3.764,113 1.043,114 -7.11,115 -6.9,116 -6.38,121 43.5,122 1,123 12,124 2,127 2,137 1,138 1,144 7,145 4,146 3,148 4,176 23,180 8,185 6,187 31,192 7,197 6,200 21,206 7,209 2,211 11,214 24,219 1,224 6,227 24,232 3,237 5,239 35,244 2,251 30,256 2,260 1,264 30,269 2,277 21,281 3548,282 29.223,283 29.223,284 29.223,285 29.223,286 29.223,287 26.363,288 30.006,289 17.551,290 29.582,291 23.839,292 23.839,293 23.839,294 23.839,295 23.839,296 19.337,297 33.216,298 8.479,299 24.487,300 5.107,301 3.084,302 1.778,303 0.85,304 0.621,305 0.574,306 4.495,308 1,313 1529,314 4,318 664.414,320 120.325,322 652.585,324 186.291,325 2.018,326 21.534,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.67,335 1,336 0.59,337 86.333,338 670,339 4.686,340 3.508,341 6.986,342 4.303,343 3.319,344 4.594,345 0.68,346 11.934,347 3.265,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 4.564,354 0.4,355 11.348,356 3.162,357 4.143,358 3.064,359 6.24,360 3.826,361 2.84,362 3.624,363 0.4,364 9.32,365 2.801,366 3.914,367 2.858,368 5.982,369 3.524,370 2.532,371 3.437,373 8.37,374 2.512,375 3.814,376 2.669,377 5.569,378 3.416,379 2.452,380 3.131,382 7.471,383 2.369,384 3.568,385 2.547,386 5.39,387 3.202,388 2.229,389 2.925,391 6.847,392 2.167,393 3.522,394 2.457,395 5.381,396 3.136,397 2.182,398 2.893,400 6.711,401 2.08,402 3.406,403 2.356,404 5.126,405 3.015,406 2.084,407 2.725,409 6.137,410 1.929,411 3.012,412 2.146,413 4.836,414 2.889,415 1.917,416 2.142,418 5.357,419 1.845,420 2.942,421 1.964,422 4.666,423 2.82,424 1.841,425 2.045,427 4.874,428 1.773,429 2.917,430 1.87,431 4.116,432 2.658,433 1.686,434 1.932,436 3.83,437 1.599,438 2.866,439 1.692,440 4.049,441 2.541,442 1.561,443 1.889,445 3.477,446 1.523,447 2.683,448 1.542,449 3.98,450 2.496,451 1.505,452 1.714,454 3.329,455 1.489,456 2.592,457 1.445,458 3.845,459 2.345,460 1.347,461 1.619,463 3.256,464 1.343,465 2.494,466 1.352,467 3.662,468 2.242,469 1.249,470 1.494,472 2.979,473 1.24,474 20.814,475 0.496,476 0.88,477 0.021,478 48.25,479 1.149,480 22,481 0.524,482 26.25,483 0.625,484 51.197,485 1.219,486 44.586,487 0.525,488 33.002,489 0.786,490 7.913,491 0.188,492 12.723,493 0.303,494 0.058,496 0.336,501 0.815,502 1.168,503 0.781,504 0.987,505 0.725,506 0.964,507 0.826,508 1.197,509 0.827,510 1.036,511 0.656,512 1.018,513 1.015,514 1.107,515 0.884,516 0.97,517 0.927,518 0.951,519 1.058,520 1.035,521 0.858,522 0.932,523 0.884,524 0.94,525 1.271,526 1.027,527 0.959,528 0.987,529 1.091,530 1.048,531 0.739,532 1.048,533 0.9,534 1.063,535 0.785,536 1.082,537 0.956,538 0.971,539 1.049,540 1.049,541 1.049,542 1.071,543 0.89,544 0.898,545 1.071,546 1.006,547 0.988,548 1.009,549 6.5,550 0.144,551 3.556,552 3.25,553 2.702,554 1.292,555 0.824,556 0.587,557 0.324,558 0.251,559 37826,560 73281,561 2.215,562 50.6,563 21,564 12,567 2,568 4,569 4,572 1.805,573 2.136,574 3.823,575 0.007,582 110.719,583 1.303,584 3.326,585 4.631,586 5.559,587 5.789,588 5.836,589 3.033,590 4.803,591 5.374,592 4.128,593 3554.24,594 9.455,595 69786.6,600 544.798,601 1.166,602 5.35,603 0.135,604 0.004,605 0.052,606 0.044,607 0.039,608 0.02,609 0.014,610 0.012,611 0.008,612 0.007,613 0.336,614 0.33,615 0.63,616 0.338,617 245.677,618 0.005,619 -0.002,620 0.048,621 0.044,622 0.064,623 0.057,624 0.025,625 -0.103,626 0.027,627 -0.031,628 0.147,629 -0.013,630 0.011,631 -0.067,632 0.038,633 0.005,634 0.043,635 0.029,636 0.083,637 0.016,638 0.034,639 0.014,640 0.098,641 0.019,642 -0.19,643 0.041,644 -0.109,645 -0.04,646 -0.182,647 -0.088,648 0.017,649 -0.068,650 -0.035,651 -0.079,652 -0.018,653 -0.09,654 -0.082,655 -0.023,656 -0.076,657 -0.06,658 -0.137,659 -0.08,660 0.017,661 0.011,663 -0.001,664 -0.019,665 -0.009,666 0.904,667 2.27,668 0.738,669 47.143,670 0.981,671 1.12,672 5.875,673 34.517,674 0.672,675 3.892,676 4.234,677 4.564,678 4.927,679 5.252,680 5.416,681 5.591,682 5.771,683 5.849,684 5.872,685 10.078,686 0.617,687 579.29,688 3.892,689 5.451,690 6.326,691 7.229,692 8.126,693 9.041,694 9.948,695 10.869,696 11.781,697 12.705,698 4.7,703 2,708 2,714 4,715 7,716 2,720 7,722 22,734 2,740 1,741 85,743 23,744 2,745 48,747 91,748 37,749 18,750 5,751 7,756 7,757 16,758 1,763 1,767 7,768 2,770 12,772 20,773 17,774 2,777 1,784 1,786 1,793 43,794 4,795 2,796 5,797 1,802 4,808 0.286,822 2,829 7,831 1,833 4,835 1,849 1,850 1,859 2,864 1,865 1,868 42,876 14,877 2,880 2,892 1,901 19.667,902 15.376,903 9.083,904 6,907 5.056,908 1.525,909 1.029,910 8.304,911 14.694,912 4.111,913 4.736,914 5.373,915 6.03,916 6.666,917 7.063,918 7.483,919 7.903,920 8.241,921 8.31,922 0.9,923 74,924 15.649,926 6.773,927 0.026,929 7.328,931 31.735,933 28.007,936 1.828,937 76.778,941 482.615,942 152.779,943 69.593,944 39.149,948 152.779,949 521.764,950 69.593,951 8.825,952 34.626,953 75.81,954 69.593,955 33.519,957 482.615,958 39.149,959 482.615,960 222.372,962 39.149,964 435.531,965 47.084,968 53.253,969 90.05,970 118.217,972 482.615,973 69.593,974 191.928,977 482.615,978 68.144,979 84.635,980 36.022,981 72.72,982 482.615,983 69.593,984 191.928,986 0.577,987 0.339,988 0.203,989 0.122,990 35,991 14,992 0.11,993 10,994 6,995 1.355,996 5.303,997 439.516,998 0.387,999 30,1000 224.477,1005 28.018,1006 12.448,1007 5.9,1008 4.669,1009 69.593,1010 14.852,1011 10.119,1015 8.98,1017 36.022,1018 744.136,1019 60,1026 2.485,1028 1.538,1031 83.403,1032 95.241,1034 0.203,1035 0.519,1036 0.723,1037 0.867,1038 0.903,1039 0.911,1040 5.373,1041 2.084,1042 6.304,1043 6.711,1044 4.92,1045 5.425,1046 0.942,1047 7.151,1048 4.87,1049 6.571,1050 1.917,1051 7.871,1052 6.137,1053 4.443,1054 5.301,1056 8.097,1057 4.354,1058 7.889,1059 1.841,1060 9.543,1061 5.357,1062 6.529,1063 7.682,1064 0.425,1065 11.278,1066 6.441,1067 9.245,1068 1.686,1069 11.281,1070 4.874,1071 6.909,1072 8.434,1074 13.105,1075 6.795,1076 10.639,1077 1.561,1078 13.062,1079 3.83,1080 8.441,1081 10.293,1082 0.194,1083 15.802,1084 8.322,1085 12.061,1086 1.505,1087 14.875,1088 3.477,1089 9.246,1090 11.456,1092 17.997,1093 9.107,1094 13.505,1095 1.347,1096 16.71,1097 3.329,1098 10.552,1099 13.109,1100 0.09,1101 20.532,1102 10.403,1103 3.319,1104 1.249,1105 18.563,1106 3.256,1107 11.563,1108 14.466,1110 22.881,1111 11.396,1112 3.226,1113 11.934,1114 20.43,1115 2.979,1116 12.782,1117 16.036,1118 0.042,1119 25.363,1120 12.602,1121 2.84,1122 11.348,1123 22.307,1124 4.594,1125 13.887,1126 17.481,1128 27.775,1129 13.69,1130 2.532,1131 9.32,1132 24.194,1133 4.564,1134 15.076,1135 19.019,1136 0.019,1137 30.241,1138 14.863,1139 2.452,1140 8.37,1141 26.087,1142 3.624,1143 16.223,1144 20.505,1146 32.681,1147 15.993,1148 2.229,1149 7.471,1150 27.987,1151 3.437,1152 17.404,1153 22.031,1154 0.009,1155 35.142,1156 17.158,1157 2.182,1158 6.847,1159 29.892,1160 3.131,1161 18.571,1162 23.536,1164 37.595,1165 18.307,1166 33707,1167 47149,1168 33.402,1169 57.109,1170 71.844,1171 72.344,1172 73.275,1173 71.767,1174 71.586,1175 90.122,1176 2.96,1177 208.544,1178 69.592,1179 5.651,1180 5.508,1181 6.893,1182 5.345,1183 5.319,1184 7.594,1185 1.36,1186 19.51,1187 5.265,1188 13.249,1189 1.497,1190 1.507,1191 1.527,1192 1.495,1193 1.491,1194 1.878,1195 0.062,1196 4.345,1197 1.45,1198 4.157,1199 4.188,1200 4.146,1201 4.087,1202 5.043,1203 4.089,1204 4.097,1205 4.126,1206 4.066,1207 4.028,1208 4.968,1209 4.032,1210 3.874,1211 3.908,1212 3.866,1213 3.813,1214 4.697,1215 3.802,1216 3.767,1217 3.833,1218 3.627,1219 3.654,1220 4.432,1221 3.64,1222 3.732,1223 3.781,1224 3.615,1225 3.636,1226 4.413,1227 3.619,1228 3.57,1229 3.646,1230 3.569,1231 3.423,1232 4.281,1233 3.415,1234 3.461,1235 3.511,1236 3.381,1237 3.355,1238 4.219,1239 3.344,1240 3.334,1241 3.413,1242 3.206,1243 3.18,1244 4.076,1245 3.173,1246 0.098,1247 0.073,1248 0.146,1249 0.09,1250 0.069,1251 4.686,1252 0.096,1253 3.508,1254 0.014,1255 6.986,1256 0.249,1257 4.303,1258 0.068,1259 3.319,1260 4.594,1261 0.68,1262 11.934,1263 3.265,1264 2.098,1265 2.073,1266 2.188,1267 2.182,1268 1.536,1269 2.186,1270 2.072,1271 2.046,1272 2.159,1273 2.163,1274 1.437,1275 2.163,1276 1.881,1277 1.851,1278 2.033,1279 1.974,1280 1.386,1281 1.995,1282 1.778,1283 1.716,1284 1.993,1285 1.937,1286 1.199,1287 1.967,1288 1.754,1289 1.708,1290 1.949,1291 1.872,1292 1.158,1293 1.902,1294 1.567,1295 1.497,1296 1.829,1297 1.77,1298 1.115,1299 1.794,1300 1.463,1301 1.416,1302 1.691,1303 1.605,1304 0.918,1305 1.637,1306 1.324,1307 1.257,1308 1.58,1309 1.542,1310 0.823,1311 1.562,1312 4.575,1314 5.911,1316 7.459,1318 9.121,1320 10.849,1322 2.3,1323 6.381,1328 16.505,1329 7.74,1332 1.208,1340 52.449,1341 110.719,1342 282.682,1343 393.637,1344 472.534,1345 492.043,1346 496.043,1347 61.93,1348 9.637,1349 49.84,1350 49.84,1351 42,1352 13.213,1353 4.585,1354 3.7,1355 56.755,1356 267,1357 184,1358 0.101,1359 317.242,1360 548.71,1361 765.831,1362 329678,1363 1.2,1364 28.468,1365 0.678,1366 0.612,1367 28.968,1368 25.701,1369 20.636,1370 0.43,1371 0.348,1372 16.273,1373 20.069,1374 15.855,1375 13.091,1376 20.925,1377 16.692,1378 18.622,1379 0.274,1380 0.196,1381 19.03,1382 13.317,1383 15.971,1384 0.168,1385 0.105,1386 16.233,1387 9.966,1388 14.634,1389 0.107,1390 0.059,1391 14.868,1392 8.024,1393 12.747,1394 0.067,1395 0.032,1396 12.978,1397 6.17,1398 0.167,1399 128.717,1400 0.173,1401 38.077,1402 0.257,1403 232,1404 460.159,1405 255.068,1406 495.594,1407 704.42,1408 470,1409 279,1410 522.877,1411 297.418,1412 546.601,1413 812.84,1414 521,1415 8.876}
{0 CHEMBL2011486,1 1.303,2 15.952,3 9.775,4 95.543,5 177.906,6 6.815,7 0.458,8 4.515,9 4.645,10 4.024,11 4.132,12 5.409,13 4.067,14 5.121,15 5.309,16 4.414,17 4.59,18 5.946,19 4.49,20 5.464,21 5.708,22 4.53,23 4.772,24 6.232,25 4.642,26 5.506,27 5.765,28 4.501,29 4.756,30 6.267,31 4.618,32 5.487,33 5.736,34 4.42,35 4.765,36 6.222,37 4.615,38 5.55,39 5.815,40 4.376,41 4.788,42 6.23,43 4.602,44 5.562,45 5.846,46 4.238,47 4.736,48 6.207,49 4.52,50 5.465,51 5.762,52 4.133,53 4.608,54 6.095,55 4.378,56 0.09,57 1.194,58 19.552,59 8.453,60 11.154,61 11.985,62 0.191,63 2.088,64 37.484,65 15.421,66 23.324,67 22.04,68 0.348,69 2.81,70 56.091,71 21.079,72 40.216,73 30.48,74 0.501,75 2.936,76 58.642,77 21.103,78 48.172,79 30.92,80 0.415,81 2.892,82 56.008,83 20.782,84 39.993,85 30.395,86 0.384,87 2.926,88 60.703,89 24.077,90 40.546,91 34.607,92 0.397,93 2.863,94 64.513,95 24.608,96 42.823,97 35.145,98 0.384,99 2.516,100 61.073,101 22.955,102 40.72,103 32.468,104 5,105 68,106 0.195,107 0.497,108 0.693,109 0.831,110 0.866,111 0.873,112 3.764,113 1.043,114 -7.11,115 -6.9,116 -6.38,121 43.5,122 1,123 12,124 2,127 2,137 1,138 1,144 7,145 4,146 3,148 4,176 23,180 8,185 6,187 31,192 7,197 6,200 21,206 7,209 2,211 11,214 24,219 1,224 6,227 24,232 3,237 5,239 35,244 2,251 30,256 2,260 1,264 30,269 2,277 21,281 3548,282 29.223,283 29.223,284 29.223,285 29.223,286 29.223,287 26.363,288 30.006,289 17.551,290 29.582,291 23.839,292 23.839,293 23.839,294 23.839,295 23.839,296 19.337,297 33.216,298 8.479,299 24.487,300 5.107,301 3.084,302 1.778,303 0.85,304 0.621,305 0.574,306 4.495,308 1,313 1529,314 4,318 664.414,320 120.325,322 652.585,324 186.291,325 2.018,326 21.534,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.67,335 1,336 0.59,337 86.333,338 670,339 4.686,340 3.508,341 6.986,342 4.303,343 3.319,344 4.594,345 0.68,346 11.934,347 3.265,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 4.564,354 0.4,355 11.348,356 3.162,357 4.143,358 3.064,359 6.24,360 3.826,361 2.84,362 3.624,363 0.4,364 9.32,365 2.801,366 3.914,367 2.858,368 5.982,369 3.524,370 2.532,371 3.437,373 8.37,374 2.512,375 3.814,376 2.669,377 5.569,378 3.416,379 2.452,380 3.131,382 7.471,383 2.369,384 3.568,385 2.547,386 5.39,387 3.202,388 2.229,389 2.925,391 6.847,392 2.167,393 3.522,394 2.457,395 5.381,396 3.136,397 2.182,398 2.893,400 6.711,401 2.08,402 3.406,403 2.356,404 5.126,405 3.015,406 2.084,407 2.725,409 6.137,410 1.929,411 3.012,412 2.146,413 4.836,414 2.889,415 1.917,416 2.142,418 5.357,419 1.845,420 2.942,421 1.964,422 4.666,423 2.82,424 1.841,425 2.045,427 4.874,428 1.773,429 2.917,430 1.87,431 4.116,432 2.658,433 1.686,434 1.932,436 3.83,437 1.599,438 2.866,439 1.692,440 4.049,441 2.541,442 1.561,443 1.889,445 3.477,446 1.523,447 2.683,448 1.542,449 3.98,450 2.496,451 1.505,452 1.714,454 3.329,455 1.489,456 2.592,457 1.445,458 3.845,459 2.345,460 1.347,461 1.619,463 3.256,464 1.343,465 2.494,466 1.352,467 3.662,468 2.242,469 1.249,470 1.494,472 2.979,473 1.24,474 20.814,475 0.496,476 0.88,477 0.021,478 48.25,479 1.149,480 22,481 0.524,482 26.25,483 0.625,484 51.197,485 1.219,486 44.586,487 0.525,488 33.002,489 0.786,490 7.913,491 0.188,492 12.723,493 0.303,494 0.058,496 0.336,501 0.815,502 1.168,503 0.781,504 0.987,505 0.725,506 0.964,507 0.826,508 1.197,509 0.827,510 1.036,511 0.656,512 1.018,513 1.015,514 1.107,515 0.884,516 0.97,517 0.927,518 0.951,519 1.058,520 1.035,521 0.858,522 0.932,523 0.884,524 0.94,525 1.271,526 1.027,527 0.959,528 0.987,529 1.091,530 1.048,531 0.739,532 1.048,533 0.9,534 1.063,535 0.785,536 1.082,537 0.956,538 0.971,539 1.049,540 1.049,541 1.049,542 1.071,543 0.89,544 0.898,545 1.071,546 1.006,547 0.988,548 1.009,549 6.5,550 0.144,551 3.556,552 3.25,553 2.702,554 1.292,555 0.824,556 0.587,557 0.324,558 0.251,559 37826,560 73281,561 2.215,562 50.6,563 21,564 12,567 2,568 4,569 4,572 1.805,573 2.136,574 3.823,575 0.007,582 110.719,583 1.303,584 3.326,585 4.631,586 5.559,587 5.789,588 5.836,589 3.033,590 4.803,591 5.374,592 4.128,593 3554.24,594 9.455,595 69786.6,600 544.798,601 1.166,602 5.35,603 0.135,604 0.004,605 0.052,606 0.044,607 0.039,608 0.02,609 0.014,610 0.012,611 0.008,612 0.007,613 0.336,614 0.33,615 0.63,616 0.338,617 245.677,618 0.005,619 -0.002,620 0.048,621 0.044,622 0.064,623 0.057,624 0.025,625 -0.103,626 0.027,627 -0.031,628 0.147,629 -0.013,630 0.011,631 -0.067,632 0.038,633 0.005,634 0.043,635 0.029,636 0.083,637 0.016,638 0.034,639 0.014,640 0.098,641 0.019,642 -0.19,643 0.041,644 -0.109,645 -0.04,646 -0.182,647 -0.088,648 0.017,649 -0.068,650 -0.035,651 -0.079,652 -0.018,653 -0.09,654 -0.082,655 -0.023,656 -0.076,657 -0.06,658 -0.137,659 -0.08,660 0.017,661 0.011,663 -0.001,664 -0.019,665 -0.009,666 0.904,667 2.27,668 0.738,669 47.143,670 0.981,671 1.12,672 5.875,673 34.517,674 0.672,675 3.892,676 4.234,677 4.564,678 4.927,679 5.252,680 5.416,681 5.591,682 5.771,683 5.849,684 5.872,685 10.078,686 0.617,687 579.29,688 3.892,689 5.451,690 6.326,691 7.229,692 8.126,693 9.041,694 9.948,695 10.869,696 11.781,697 12.705,698 4.7,703 2,708 2,714 4,715 7,716 2,720 7,722 22,734 2,740 1,741 85,743 23,744 2,745 48,747 91,748 37,749 18,750 5,751 7,756 7,757 16,758 1,763 1,767 7,768 2,770 12,772 20,773 17,774 2,777 1,784 1,786 1,793 43,794 4,795 2,796 5,797 1,802 4,808 0.286,822 2,829 7,831 1,833 4,835 1,849 1,850 1,859 2,864 1,865 1,868 42,876 14,877 2,880 2,892 1,901 19.667,902 15.376,903 9.083,904 6,907 5.056,908 1.525,909 1.029,910 8.304,911 14.694,912 4.111,913 4.736,914 5.373,915 6.03,916 6.666,917 7.063,918 7.483,919 7.903,920 8.241,921 8.31,922 0.9,923 74,924 15.649,926 6.773,927 0.026,929 7.328,931 31.735,933 28.007,936 1.828,937 76.778,941 482.615,942 152.779,943 69.593,944 39.149,948 152.779,949 521.764,950 69.593,951 8.825,952 34.626,953 75.81,954 69.593,955 33.519,957 482.615,958 39.149,959 482.615,960 222.372,962 39.149,964 435.531,965 47.084,968 53.253,969 90.05,970 118.217,972 482.615,973 69.593,974 191.928,977 482.615,978 68.144,979 84.635,980 36.022,981 72.72,982 482.615,983 69.593,984 191.928,986 0.577,987 0.339,988 0.203,989 0.122,990 35,991 14,992 0.11,993 10,994 6,995 1.355,996 5.303,997 439.516,998 0.387,999 30,1000 224.477,1005 28.018,1006 12.448,1007 5.9,1008 4.669,1009 69.593,1010 14.852,1011 10.119,1015 8.98,1017 36.022,1018 744.136,1019 60,1026 2.485,1028 1.538,1031 83.403,1032 95.241,1034 0.203,1035 0.519,1036 0.723,1037 0.867,1038 0.903,1039 0.911,1040 5.373,1041 2.084,1042 6.304,1043 6.711,1044 4.92,1045 5.425,1046 0.942,1047 7.151,1048 4.87,1049 6.571,1050 1.917,1051 7.871,1052 6.137,1053 4.443,1054 5.301,1056 8.097,1057 4.354,1058 7.889,1059 1.841,1060 9.543,1061 5.357,1062 6.529,1063 7.682,1064 0.425,1065 11.278,1066 6.441,1067 9.245,1068 1.686,1069 11.281,1070 4.874,1071 6.909,1072 8.434,1074 13.105,1075 6.795,1076 10.639,1077 1.561,1078 13.062,1079 3.83,1080 8.441,1081 10.293,1082 0.194,1083 15.802,1084 8.322,1085 12.061,1086 1.505,1087 14.875,1088 3.477,1089 9.246,1090 11.456,1092 17.997,1093 9.107,1094 13.505,1095 1.347,1096 16.71,1097 3.329,1098 10.552,1099 13.109,1100 0.09,1101 20.532,1102 10.403,1103 3.319,1104 1.249,1105 18.563,1106 3.256,1107 11.563,1108 14.466,1110 22.881,1111 11.396,1112 3.226,1113 11.934,1114 20.43,1115 2.979,1116 12.782,1117 16.036,1118 0.042,1119 25.363,1120 12.602,1121 2.84,1122 11.348,1123 22.307,1124 4.594,1125 13.887,1126 17.481,1128 27.775,1129 13.69,1130 2.532,1131 9.32,1132 24.194,1133 4.564,1134 15.076,1135 19.019,1136 0.019,1137 30.241,1138 14.863,1139 2.452,1140 8.37,1141 26.087,1142 3.624,1143 16.223,1144 20.505,1146 32.681,1147 15.993,1148 2.229,1149 7.471,1150 27.987,1151 3.437,1152 17.404,1153 22.031,1154 0.009,1155 35.142,1156 17.158,1157 2.182,1158 6.847,1159 29.892,1160 3.131,1161 18.571,1162 23.536,1164 37.595,1165 18.307,1166 33707,1167 47149,1168 33.402,1169 57.109,1170 71.844,1171 72.344,1172 73.275,1173 71.767,1174 71.586,1175 90.122,1176 2.96,1177 208.544,1178 69.592,1179 5.651,1180 5.508,1181 6.893,1182 5.345,1183 5.319,1184 7.594,1185 1.36,1186 19.51,1187 5.265,1188 13.249,1189 1.497,1190 1.507,1191 1.527,1192 1.495,1193 1.491,1194 1.878,1195 0.062,1196 4.345,1197 1.45,1198 4.157,1199 4.188,1200 4.146,1201 4.087,1202 5.043,1203 4.089,1204 4.097,1205 4.126,1206 4.066,1207 4.028,1208 4.968,1209 4.032,1210 3.874,1211 3.908,1212 3.866,1213 3.813,1214 4.697,1215 3.802,1216 3.767,1217 3.833,1218 3.627,1219 3.654,1220 4.432,1221 3.64,1222 3.732,1223 3.781,1224 3.615,1225 3.636,1226 4.413,1227 3.619,1228 3.57,1229 3.646,1230 3.569,1231 3.423,1232 4.281,1233 3.415,1234 3.461,1235 3.511,1236 3.381,1237 3.355,1238 4.219,1239 3.344,1240 3.334,1241 3.413,1242 3.206,1243 3.18,1244 4.076,1245 3.173,1246 0.098,1247 0.073,1248 0.146,1249 0.09,1250 0.069,1251 4.686,1252 0.096,1253 3.508,1254 0.014,1255 6.986,1256 0.249,1257 4.303,1258 0.068,1259 3.319,1260 4.594,1261 0.68,1262 11.934,1263 3.265,1264 2.098,1265 2.073,1266 2.188,1267 2.182,1268 1.536,1269 2.186,1270 2.072,1271 2.046,1272 2.159,1273 2.163,1274 1.437,1275 2.163,1276 1.881,1277 1.851,1278 2.033,1279 1.974,1280 1.386,1281 1.995,1282 1.778,1283 1.716,1284 1.993,1285 1.937,1286 1.199,1287 1.967,1288 1.754,1289 1.708,1290 1.949,1291 1.872,1292 1.158,1293 1.902,1294 1.567,1295 1.497,1296 1.829,1297 1.77,1298 1.115,1299 1.794,1300 1.463,1301 1.416,1302 1.691,1303 1.605,1304 0.918,1305 1.637,1306 1.324,1307 1.257,1308 1.58,1309 1.542,1310 0.823,1311 1.562,1312 4.575,1314 5.911,1316 7.459,1318 9.121,1320 10.849,1322 2.3,1323 6.381,1328 16.505,1329 7.74,1332 1.208,1340 52.449,1341 110.719,1342 282.682,1343 393.637,1344 472.534,1345 492.043,1346 496.043,1347 61.93,1348 9.637,1349 49.84,1350 49.84,1351 42,1352 13.213,1353 4.585,1354 3.7,1355 56.755,1356 267,1357 184,1358 0.101,1359 317.242,1360 548.71,1361 765.831,1362 329678,1363 1.2,1364 28.468,1365 0.678,1366 0.612,1367 28.968,1368 25.701,1369 20.636,1370 0.43,1371 0.348,1372 16.273,1373 20.069,1374 15.855,1375 13.091,1376 20.925,1377 16.692,1378 18.622,1379 0.274,1380 0.196,1381 19.03,1382 13.317,1383 15.971,1384 0.168,1385 0.105,1386 16.233,1387 9.966,1388 14.634,1389 0.107,1390 0.059,1391 14.868,1392 8.024,1393 12.747,1394 0.067,1395 0.032,1396 12.978,1397 6.17,1398 0.167,1399 128.717,1400 0.173,1401 38.077,1402 0.257,1403 232,1404 460.159,1405 255.068,1406 495.594,1407 704.42,1408 470,1409 279,1410 522.877,1411 297.418,1412 546.601,1413 812.84,1414 521,1415 8.165}
{0 CHEMBL2011487,1 1.333,2 15.837,3 8.027,4 64.434,5 182.343,6 6.831,7 0.449,8 4.541,9 4.675,10 4.052,11 4.136,12 5.446,13 4.076,14 5.146,15 5.342,16 4.442,17 4.591,18 5.975,19 4.5,20 5.47,21 5.706,22 4.56,23 4.787,24 6.256,25 4.664,26 5.555,27 5.818,28 4.534,29 4.789,30 6.314,31 4.65,32 5.534,33 5.785,34 4.458,35 4.796,36 6.268,37 4.644,38 5.605,39 5.878,40 4.414,41 4.807,42 6.288,43 4.624,44 5.595,45 5.882,46 4.311,47 4.745,48 6.252,49 4.541,50 5.494,51 5.788,52 4.276,53 4.627,54 6.168,55 4.428,56 0.093,57 1.259,58 20.1,59 8.456,60 11.94,61 12.073,62 0.237,63 2.177,64 38.755,65 15.006,66 24.901,67 21.753,68 0.367,69 2.865,70 56.277,71 20.655,72 40.806,73 30.109,74 0.593,75 3.066,76 61.713,77 21.803,78 51.904,79 32.131,80 0.425,81 3.01,82 58.669,83 21.666,84 42.022,85 31.843,86 0.451,87 3.078,88 64.56,89 24.399,90 45.552,91 35.542,92 0.433,93 2.954,94 66.856,95 24.485,96 45.78,97 35.418,98 0.503,99 2.64,100 63.024,101 22.033,102 45.691,103 31.709,104 10,105 70,106 0.199,107 0.511,108 0.723,109 0.841,110 0.865,111 0.871,112 3.787,113 1.027,114 -6.32,115 -6.15,116 -5.71,121 42.5,122 1,123 9,124 2,126 1,127 4,137 1,138 1,144 7,145 4,146 3,148 4,176 19,180 10,185 6,187 28,192 7,197 4,200 19,206 7,209 4,211 9,214 24,219 1,224 4,227 20,232 7,237 5,239 27,244 4,251 13,255 2,256 9,260 1,264 13,269 4,277 5,281 3782,282 29.67,283 29.67,284 29.67,285 29.67,286 29.67,287 26.81,288 36.523,289 17.609,290 30.145,291 24.305,292 24.305,293 24.305,294 24.305,295 24.305,296 19.803,297 45.501,298 8.466,299 25.128,300 5.11,301 3.014,302 1.591,303 0.799,304 0.638,305 0.592,306 4.515,308 1,313 1550,314 4.243,318 685.289,320 124.01,322 673.971,324 192.41,325 2.127,326 22.903,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.67,335 1,336 0.59,337 88.833,338 681,339 4.686,340 3.508,341 6.986,342 4.303,343 3.319,344 4.594,345 0.8,346 11.934,347 3.265,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 4.564,354 0.68,355 11.348,356 3.162,357 4.143,358 3.064,359 6.24,360 3.826,361 2.84,362 3.624,363 0.4,364 9.32,365 2.801,366 3.914,367 2.858,368 5.982,369 3.524,370 2.532,371 3.437,372 0.4,373 8.37,374 2.512,375 3.814,376 2.711,377 5.569,378 3.417,379 2.453,380 3.131,382 7.471,383 2.37,384 3.568,385 2.667,386 5.39,387 3.306,388 2.381,389 2.926,391 6.847,392 2.204,393 3.523,394 2.546,395 5.382,396 3.198,397 2.226,398 2.893,400 6.712,401 2.162,402 3.407,403 2.457,404 5.126,405 3.124,406 2.172,407 2.725,409 6.141,410 2.066,411 3.374,412 2.351,413 5.034,414 3.012,415 2.083,416 2.379,418 6.087,419 1.906,420 3.011,421 2.136,422 4.836,423 2.838,424 1.878,425 2.142,427 5.356,428 1.773,429 2.939,430 1.934,431 4.666,432 2.664,433 1.694,434 2.045,436 4.873,437 1.6,438 2.889,439 1.751,440 4.116,441 2.545,442 1.57,443 1.914,445 3.504,446 1.527,447 2.684,448 1.563,449 4.041,450 2.495,451 1.506,452 1.715,454 3.368,455 1.486,456 2.626,457 1.49,458 3.949,459 2.347,460 1.384,461 1.661,463 3.329,464 1.343,465 2.508,466 1.425,467 3.698,468 2.345,469 1.347,470 1.509,472 3.075,473 1.329,474 21.214,475 0.493,476 0.986,477 0.023,478 49.5,479 1.151,480 22,481 0.512,482 27.5,483 0.64,484 52.308,485 1.216,486 45.986,487 0.529,488 36.095,489 0.839,490 8.535,491 0.198,492 12.495,493 0.291,494 0.081,496 0.349,501 0.847,502 1.263,503 0.781,504 1.025,505 0.755,506 0.983,507 1.021,508 1.13,509 0.828,510 0.958,511 0.695,512 0.955,513 1.069,514 1.142,515 0.93,516 1.011,517 0.975,518 0.996,519 1.001,520 0.967,521 0.86,522 0.916,523 0.876,524 0.935,525 1.13,526 1.076,527 0.944,528 1.026,529 1.023,530 1.07,531 0.825,532 1.028,533 0.888,534 1.026,535 0.821,536 1.048,537 0.947,538 1.021,539 1.009,540 1.039,541 1.011,542 1.043,543 1.009,544 0.913,545 1.043,546 0.957,547 0.962,548 0.954,549 7.5,550 0.243,551 4,552 3.5,553 2.862,554 1.292,555 0.824,556 0.681,557 0.588,558 0.339,559 39167,560 76980,561 2.195,562 50.6,563 15,564 19,567 2,568 4,570 4,572 1.812,573 2.098,574 3.826,575 0.022,582 115.962,583 1.333,584 3.429,585 4.852,586 5.644,587 5.805,588 5.851,589 3.058,590 4.961,591 5.408,592 4.134,593 3732.81,594 9.531,595 73349.8,600 560.536,601 1.253,602 5.377,603 0.153,604 0.006,605 0.057,606 0.046,607 0.04,608 0.02,609 0.014,610 0.013,611 0.012,612 0.007,613 0.368,614 0.33,615 0.63,616 0.394,617 252.294,618 0.015,619 -0.069,620 0.052,621 0.015,622 0.046,623 0.042,624 -0.04,625 -0.007,626 0.038,627 0.039,628 0.123,629 0.039,630 -0.035,631 -0.085,632 -0.005,633 -0.029,635 -0.013,636 0.103,637 0.077,638 0.031,639 0.032,640 0.092,641 0.026,642 -0.142,643 -0.025,644 -0.097,645 -0.068,646 -0.143,647 -0.1,648 0.002,649 -0.047,650 -0.018,651 -0.051,652 -0.022,653 -0.062,654 -0.035,655 -0.074,656 -0.034,657 -0.056,658 -0.095,659 -0.056,660 0.08,661 0.027,662 0.039,663 0.027,664 0.033,665 0.028,666 0.911,667 2.281,668 0.721,669 48.84,670 0.983,671 1.123,672 5.087,673 25.882,674 0.668,675 3.912,676 4.263,677 4.585,678 4.942,679 5.263,680 5.425,681 5.606,682 5.796,683 5.886,684 5.908,685 9.989,686 0.615,687 594.31,688 3.912,689 5.476,690 6.351,691 7.255,692 8.15,693 9.064,694 9.969,695 10.888,696 11.799,697 12.721,698 5.7,701 1,703 2,708 2,714 4,715 7,716 2,720 7,722 22,734 2,740 1,741 87,743 23,744 2,745 49,747 93,748 37,749 18,750 5,751 7,756 7,757 16,758 1,763 1,767 7,768 2,770 9,772 20,773 17,774 2,777 1,784 1,786 1,793 44,794 5,795 2,796 6,797 1,802 5,808 0.286,822 2,829 7,831 1,833 4,835 1,849 1,850 1,855 1,859 2,864 2,865 1,868 43,876 13,877 2,880 2,881 1,892 1,901 20.5,902 16.076,903 9.25,904 5.9,907 5.042,908 1.522,909 1.024,910 8.513,911 14.695,912 4.127,913 4.754,914 5.382,915 6.035,916 6.669,917 7.065,918 7.486,919 7.909,920 8.251,921 8.322,922 0.9,923 76,924 16.005,926 6.899,927 0.026,929 7.344,931 32.333,933 28.328,936 1.844,937 79.278,941 494.386,942 157.784,943 72.717,944 39.149,948 157.784,949 533.535,950 72.717,951 17.222,952 31.234,953 75.81,954 69.593,955 36.643,957 494.386,958 39.149,959 494.386,960 230.501,962 39.149,964 447.302,965 47.084,968 52.985,969 98.447,970 118.217,972 494.386,973 72.717,974 196.932,977 494.386,978 64.752,979 96.156,980 36.022,981 72.72,982 494.386,983 72.717,984 196.932,986 0.582,987 0.341,988 0.201,989 0.119,990 36,991 15,992 0.108,993 10,994 6,995 1.355,996 5.322,997 456.27,998 0.387,999 30,1000 233.329,1005 28.924,1006 12.656,1007 6.107,1008 4.614,1009 72.717,1010 14.807,1011 10.127,1015 8.876,1017 36.022,1018 764.035,1019 61,1026 2.481,1028 1.53,1031 85.505,1032 97.74,1034 0.207,1035 0.532,1036 0.753,1037 0.876,1038 0.901,1039 0.908,1040 5.396,1041 2.172,1042 6.337,1043 6.712,1044 4.949,1045 5.442,1046 1.26,1047 7.183,1048 4.888,1049 6.597,1050 2.083,1051 7.907,1052 6.141,1053 4.511,1054 5.33,1055 0.325,1056 8.129,1057 4.409,1058 7.916,1059 1.878,1060 9.579,1061 6.087,1062 6.564,1063 7.693,1064 0.689,1065 11.298,1066 6.46,1067 9.271,1068 1.694,1069 11.314,1070 5.356,1071 6.957,1072 8.445,1073 0.268,1074 13.117,1075 6.829,1076 10.663,1077 1.57,1078 13.092,1079 4.873,1080 8.472,1081 10.298,1082 0.395,1083 15.81,1084 8.337,1085 12.081,1086 1.506,1087 14.9,1088 3.504,1089 9.278,1090 11.46,1091 0.188,1092 18.001,1093 9.127,1094 13.522,1095 1.384,1096 16.731,1097 3.368,1098 10.575,1099 13.111,1100 0.234,1101 20.535,1102 10.414,1103 3.319,1104 1.347,1105 18.58,1106 3.329,1107 11.583,1108 14.467,1109 0.125,1110 22.882,1111 11.407,1112 3.226,1113 11.934,1114 20.443,1115 3.075,1116 12.796,1117 16.036,1118 0.14,1119 25.364,1120 12.609,1121 2.84,1122 11.348,1123 22.317,1124 4.594,1125 13.899,1126 17.482,1127 0.082,1128 27.776,1129 13.695,1130 2.532,1131 9.32,1132 24.202,1133 4.564,1134 15.085,1135 19.019,1136 0.085,1137 30.241,1138 14.867,1139 2.453,1140 8.37,1141 26.094,1142 3.624,1143 16.23,1144 20.505,1145 0.054,1146 32.681,1147 15.996,1148 2.381,1149 7.471,1150 27.992,1151 3.437,1152 17.409,1153 22.031,1154 0.052,1155 35.142,1156 17.159,1157 2.226,1158 6.847,1159 29.896,1160 3.131,1161 18.574,1162 23.536,1163 0.035,1164 37.595,1165 18.308,1166 35021,1167 49326,1168 33.808,1169 58.114,1170 73.722,1171 74.146,1172 75.339,1173 73.592,1174 73.399,1175 91.939,1176 4.56,1177 215.178,1178 70.962,1179 5.651,1180 5.508,1181 6.687,1182 5.346,1183 5.319,1184 7.594,1185 1.48,1186 19.51,1187 5.265,1188 16.149,1189 1.505,1190 1.513,1191 1.538,1192 1.502,1193 1.498,1194 1.876,1195 0.093,1196 4.391,1197 1.448,1198 4.157,1199 4.188,1200 4.147,1201 4.087,1202 5.043,1203 4.089,1204 4.097,1205 4.126,1206 4.066,1207 4.028,1208 4.968,1209 4.032,1210 3.874,1211 3.908,1212 3.866,1213 3.813,1214 4.697,1215 3.802,1216 3.766,1217 3.843,1218 3.637,1219 3.651,1220 4.432,1221 3.637,1222 3.731,1223 3.781,1224 3.616,1225 3.581,1226 4.415,1227 3.58,1228 3.57,1229 3.646,1230 3.578,1231 3.423,1232 4.343,1233 3.415,1234 3.463,1235 3.515,1236 3.382,1237 3.355,1238 4.219,1239 3.344,1240 3.355,1241 3.443,1242 3.216,1243 3.177,1244 4.134,1245 3.173,1246 0.096,1247 0.072,1248 0.143,1249 0.088,1250 0.068,1251 4.686,1252 0.094,1253 3.508,1254 0.016,1255 6.986,1256 0.244,1257 4.303,1258 0.067,1259 3.319,1260 4.594,1261 0.8,1262 11.934,1263 3.265,1264 2.097,1265 2.073,1266 2.188,1267 2.182,1268 1.536,1269 2.186,1270 2.072,1271 2.046,1272 2.158,1273 2.163,1274 1.435,1275 2.163,1276 1.881,1277 1.851,1278 2.005,1279 1.975,1280 1.291,1281 1.992,1282 1.754,1283 1.709,1284 1.967,1285 1.944,1286 1.197,1287 1.957,1288 1.734,1289 1.66,1290 1.948,1291 1.872,1292 1.154,1293 1.902,1294 1.567,1295 1.497,1296 1.829,1297 1.77,1298 1.114,1299 1.794,1300 1.462,1301 1.415,1302 1.691,1303 1.612,1304 0.918,1305 1.64,1306 1.332,1307 1.257,1308 1.62,1309 1.578,1310 0.786,1311 1.6,1312 4.595,1314 5.938,1316 7.487,1318 9.147,1320 10.87,1322 4.552,1323 6.392,1328 14.513,1329 7.728,1332 1.182,1333 2.475,1340 53.47,1341 115.962,1342 298.301,1343 422.156,1344 491.026,1345 505.026,1346 509.026,1347 63.794,1348 9.653,1349 53.08,1350 53.08,1351 42,1352 13.231,1353 4.585,1354 3.7,1355 58.652,1356 270,1357 191,1358 0.103,1359 324.036,1360 559.71,1361 782.409,1362 332931,1363 1.1,1364 29.338,1365 0.682,1366 0.615,1367 29.838,1368 26.441,1369 21.03,1370 0.429,1371 0.342,1372 16.317,1373 20.349,1374 15.842,1375 13.077,1376 21.319,1377 16.771,1378 19.244,1379 0.275,1380 0.194,1381 19.652,1382 13.559,1383 16.365,1384 0.169,1385 0.104,1386 16.627,1387 10.046,1388 14.88,1389 0.107,1390 0.058,1391 15.114,1392 8.053,1393 12.906,1394 0.067,1395 0.032,1396 13.138,1397 6.126,1398 0.169,1399 131.777,1400 0.172,1401 38.651,1402 0.265,1403 238,1404 485.804,1405 262.817,1406 519.22,1407 734.22,1408 492,1409 286,1410 541.637,1411 306.583,1412 567.045,1413 840.71,1414 538,1415 9.377}
{0 CHEMBL2011488,1 1.294,2 16.791,3 10.231,4 104.669,5 182.507,6 6.742,7 0.449,8 4.546,9 4.678,10 4.045,11 4.16,12 5.432,13 4.092,14 5.154,15 5.345,16 4.43,17 4.617,18 5.97,19 4.513,20 5.499,21 5.746,22 4.544,23 4.798,24 6.255,25 4.664,26 5.54,27 5.801,28 4.516,29 4.783,30 6.29,31 4.641,32 5.521,33 5.773,34 4.437,35 4.791,36 6.246,37 4.638,38 5.582,39 5.85,40 4.393,41 4.813,42 6.253,43 4.625,44 5.593,45 5.879,46 4.258,47 4.763,48 6.231,49 4.545,50 5.5,51 5.798,52 4.154,53 4.637,54 6.12,55 4.406,56 0.095,57 1.234,58 20.446,59 8.817,60 11.556,61 12.531,62 0.199,63 2.156,64 39.059,65 16.046,66 24.051,67 22.983,68 0.359,69 2.895,70 58.156,71 21.879,72 41.106,73 31.71,74 0.512,75 3.018,76 60.658,77 21.878,78 49.007,79 32.128,80 0.424,81 2.975,82 58.086,83 21.59,84 40.767,85 31.649,86 0.394,87 3.008,88 62.655,89 24.858,90 41.308,91 35.776,92 0.404,93 2.942,94 66.3,95 25.357,96 43.238,97 36.259,98 0.366,99 2.593,100 62.755,101 23.608,102 40.209,103 33.482,104 5,105 69,106 0.192,107 0.488,108 0.681,109 0.82,110 0.857,111 0.864,112 3.787,113 1.053,114 -7.28,115 -7.07,116 -6.53,121 43.2,122 1,123 13,124 2,127 2,137 1,138 1,144 7,145 4,146 3,148 4,176 24,180 8,185 6,187 32,192 7,197 6,200 22,206 7,209 2,211 11,214 25,219 1,224 6,227 25,232 3,237 5,239 35,244 2,249 2,251 30,256 2,264 30,269 2,273 1,277 25,281 3836,282 29.93,283 29.93,284 29.93,285 29.93,286 29.93,287 27.07,288 30.006,289 18.051,290 30.289,291 24.339,292 24.339,293 24.339,294 24.339,295 24.339,296 19.837,297 33.216,298 8.729,299 24.987,300 5.165,301 3.178,302 1.88,303 0.94,304 0.69,305 0.645,306 4.517,308 1,313 1645,314 4.123,318 699.826,320 126.484,322 687.923,324 196.099,325 2.189,326 21.581,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.49,337 88.333,338 722,339 4.686,340 3.508,341 6.986,342 4.303,343 3.319,344 4.594,345 0.68,346 11.934,347 3.265,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 4.564,354 0.4,355 11.348,356 3.162,357 4.143,358 3.064,359 6.24,360 3.826,361 2.84,362 3.624,363 0.4,364 9.32,365 2.801,366 3.914,367 2.858,368 5.982,369 3.524,370 2.532,371 3.437,373 8.37,374 2.512,375 3.814,376 2.669,377 5.569,378 3.416,379 2.452,380 3.131,382 7.471,383 2.369,384 3.568,385 2.547,386 5.39,387 3.202,388 2.229,389 2.925,391 6.847,392 2.167,393 3.522,394 2.457,395 5.381,396 3.136,397 2.182,398 2.893,400 6.711,401 2.08,402 3.406,403 2.356,404 5.126,405 3.016,406 2.084,407 2.725,409 6.137,410 1.934,411 3.012,412 2.146,413 4.836,414 2.905,415 1.926,416 2.142,418 5.357,419 1.866,420 2.943,421 1.966,422 4.666,423 2.829,424 1.855,425 2.045,427 4.874,428 1.773,429 2.925,430 1.886,431 4.116,432 2.679,433 1.703,434 1.938,436 3.856,437 1.636,438 2.876,439 1.723,440 4.049,441 2.581,442 1.6,443 1.899,445 3.528,446 1.548,447 2.715,448 1.57,449 3.983,450 2.509,451 1.519,452 1.742,454 3.329,455 1.502,456 2.603,457 1.456,458 3.866,459 2.345,460 1.347,461 1.633,463 3.292,464 1.343,465 2.519,466 1.397,467 3.69,468 2.291,469 1.319,470 1.522,472 3.06,473 1.278,474 21.314,475 0.496,476 0.88,477 0.02,478 48.75,479 1.134,480 22,481 0.512,482 26.75,483 0.622,484 53.252,485 1.238,486 45.886,487 0.521,488 33.112,489 0.77,490 7.913,491 0.184,492 13.223,493 0.308,494 0.057,496 0.328,501 0.818,502 1.176,503 0.794,504 1,505 0.727,506 0.977,507 0.828,508 1.204,509 0.839,510 1.048,511 0.658,512 1.03,513 1.01,514 1.102,515 0.883,516 0.969,517 0.92,518 0.95,519 1.053,520 1.033,521 0.858,522 0.932,523 0.879,524 0.939,525 1.263,526 1.025,527 0.956,528 0.985,529 1.083,530 1.043,531 0.739,532 1.046,533 0.899,534 1.058,535 0.782,536 1.077,537 0.954,538 0.971,539 1.045,540 1.045,541 1.044,542 1.066,543 0.916,544 0.928,545 1.066,546 1.009,547 0.994,548 1.007,549 6.5,550 0.161,551 3.556,552 3.25,553 2.702,554 1.292,555 0.824,556 0.587,557 0.324,558 0.251,559 41435,560 79452,561 2.21,562 51.1,563 23,564 12,567 2,568 4,569 4,572 1.809,573 2.132,574 3.884,575 -0.001,582 113.875,583 1.294,584 3.281,585 4.579,586 5.519,587 5.769,588 5.814,589 3.122,590 4.915,591 5.408,592 4.202,593 3794.22,594 9.515,595 77168.5,600 568.43,601 1.155,602 5.384,603 0.133,604 0.005,605 0.052,606 0.043,607 0.038,608 0.02,609 0.014,610 0.012,611 0.008,612 0.007,613 0.331,614 0.33,615 0.5,616 0.332,617 254.573,618 0.008,619 -0.002,620 0.049,621 0.043,622 0.069,623 0.056,624 0.026,625 -0.106,626 0.023,627 -0.035,628 0.15,629 -0.018,630 0.017,631 -0.064,632 0.043,633 0.009,634 0.051,635 0.033,636 0.088,637 0.017,638 0.038,639 0.016,640 0.105,641 0.022,642 -0.181,643 0.04,644 -0.101,645 -0.035,646 -0.17,647 -0.08,648 0.019,649 -0.065,650 -0.032,651 -0.074,652 -0.014,653 -0.084,654 -0.08,655 -0.022,656 -0.073,657 -0.057,658 -0.131,659 -0.076,660 -0.012,661 -0.018,663 -0.006,664 -0.029,665 -0.01,666 0.902,667 2.271,668 0.721,669 50.52,670 0.981,671 1.121,672 6.048,673 36.584,674 0.669,675 3.912,676 4.248,677 4.575,678 4.934,679 5.257,680 5.421,681 5.595,682 5.775,683 5.852,684 5.875,685 10.6,686 0.613,687 593.32,688 3.912,689 5.468,690 6.34,691 7.241,692 8.135,693 9.048,694 9.954,695 10.874,696 11.785,697 12.708,698 4.5,703 2,708 2,714 4,715 7,716 2,720 7,722 22,734 2,740 1,741 88,743 23,744 2,745 49,747 94,748 38,749 18,750 5,751 7,756 7,757 16,758 1,763 1,767 7,768 2,770 13,772 20,773 18,774 2,777 1,784 1,786 1,793 45,794 4,795 2,796 5,797 1,802 4,808 0.286,822 2,829 7,831 1,833 4,835 1,849 1,850 1,859 2,864 1,865 1,868 43,876 15,877 2,880 2,892 1,901 20.167,902 15.876,903 9.333,904 6.25,907 5.042,908 1.522,909 1.025,910 8.8,911 14.695,912 4.127,913 4.745,914 5.378,915 6.033,916 6.668,917 7.064,918 7.483,919 7.903,920 8.242,921 8.31,922 1,923 75,924 16.027,926 6.915,927 0.026,929 7.32,931 32.551,933 28.673,936 1.82,937 78.278,941 506.157,942 155.314,943 69.593,944 39.149,948 155.314,949 545.306,950 69.593,951 8.825,952 37.16,953 75.81,954 69.593,955 33.519,957 506.157,958 39.149,959 506.157,960 224.907,962 39.149,964 459.073,965 47.084,968 55.787,969 90.05,970 118.217,972 506.157,973 69.593,974 194.463,977 506.157,978 70.679,979 84.635,980 36.022,981 72.72,982 506.157,983 69.593,984 194.463,986 0.576,987 0.337,988 0.202,989 0.12,990 35,991 14,992 0.117,993 11,994 6,995 1.355,996 5.418,997 448.262,998 0.387,999 30,1000 231.329,1005 28.961,1006 13.066,1007 6.253,1008 4.683,1009 69.593,1010 14.868,1011 10.12,1015 9.006,1017 36.022,1018 770.213,1019 61,1026 2.487,1028 1.54,1031 86.287,1032 98.656,1034 0.2,1035 0.508,1036 0.709,1037 0.854,1038 0.893,1039 0.9,1040 5.387,1041 2.084,1042 6.315,1043 6.711,1044 4.934,1045 5.434,1046 0.942,1047 7.157,1048 4.885,1049 6.581,1050 1.926,1051 7.879,1052 6.137,1053 4.443,1054 5.301,1056 8.097,1057 4.354,1058 7.896,1059 1.855,1060 9.548,1061 5.357,1062 6.538,1063 7.685,1064 0.425,1065 11.279,1066 6.451,1067 9.25,1068 1.703,1069 11.284,1070 4.874,1071 6.909,1072 8.434,1074 13.105,1075 6.795,1076 10.643,1077 1.6,1078 13.064,1079 3.856,1080 8.445,1081 10.294,1082 0.194,1083 15.802,1084 8.326,1085 12.063,1086 1.519,1087 14.876,1088 3.528,1089 9.246,1090 11.456,1092 17.997,1093 9.107,1094 13.506,1095 1.347,1096 16.711,1097 3.329,1098 10.554,1099 13.109,1100 0.09,1101 20.533,1102 10.406,1103 3.319,1104 1.319,1105 18.564,1106 3.292,1107 11.563,1108 14.466,1110 22.881,1111 11.396,1112 3.226,1113 11.934,1114 20.43,1115 3.06,1116 12.782,1117 16.036,1118 0.042,1119 25.363,1120 12.603,1121 2.84,1122 11.348,1123 22.307,1124 4.594,1125 13.887,1126 17.481,1128 27.775,1129 13.69,1130 2.532,1131 9.32,1132 24.194,1133 4.564,1134 15.076,1135 19.019,1136 0.019,1137 30.241,1138 14.864,1139 2.452,1140 8.37,1141 26.088,1142 3.624,1143 16.223,1144 20.505,1146 32.681,1147 15.993,1148 2.229,1149 7.471,1150 27.987,1151 3.437,1152 17.404,1153 22.031,1154 0.009,1155 35.142,1156 17.158,1157 2.182,1158 6.847,1159 29.892,1160 3.131,1161 18.571,1162 23.536,1164 37.595,1165 18.307,1166 36956,1167 51421,1168 34.096,1169 58.87,1170 73.075,1171 73.629,1172 74.531,1173 73.004,1174 72.809,1175 91.336,1176 2.96,1177 210.961,1178 70.818,1179 5.655,1180 5.508,1181 6.909,1182 5.345,1183 5.319,1184 7.594,1185 1.36,1186 19.51,1187 5.265,1188 13.511,1189 1.491,1190 1.503,1191 1.521,1192 1.49,1193 1.486,1194 1.864,1195 0.06,1196 4.305,1197 1.445,1198 4.157,1199 4.188,1200 4.147,1201 4.088,1202 5.043,1203 4.09,1204 4.097,1205 4.126,1206 4.066,1207 4.028,1208 4.968,1209 4.032,1210 3.874,1211 3.908,1212 3.866,1213 3.813,1214 4.697,1215 3.802,1216 3.782,1217 3.847,1218 3.633,1219 3.663,1220 4.432,1221 3.646,1222 3.732,1223 3.781,1224 3.616,1225 3.646,1226 4.413,1227 3.63,1228 3.607,1229 3.682,1230 3.579,1231 3.456,1232 4.281,1233 3.445,1234 3.471,1235 3.522,1236 3.42,1237 3.378,1238 4.228,1239 3.367,1240 3.376,1241 3.456,1242 3.227,1243 3.209,1244 4.085,1245 3.202,1246 0.096,1247 0.072,1248 0.143,1249 0.088,1250 0.068,1251 4.686,1252 0.094,1253 3.508,1254 0.014,1255 6.986,1256 0.244,1257 4.303,1258 0.067,1259 3.319,1260 4.594,1261 0.68,1262 11.934,1263 3.265,1264 2.098,1265 2.073,1266 2.188,1267 2.182,1268 1.536,1269 2.186,1270 2.072,1271 2.046,1272 2.159,1273 2.163,1274 1.438,1275 2.163,1276 1.881,1277 1.851,1278 2.044,1279 1.975,1280 1.402,1281 1.998,1282 1.793,1283 1.731,1284 1.996,1285 1.948,1286 1.224,1287 1.976,1288 1.754,1289 1.709,1290 1.949,1291 1.872,1292 1.171,1293 1.902,1294 1.612,1295 1.542,1296 1.873,1297 1.805,1298 1.137,1299 1.832,1300 1.469,1301 1.425,1302 1.692,1303 1.619,1304 0.921,1305 1.645,1306 1.369,1307 1.295,1308 1.648,1309 1.585,1310 0.914,1311 1.614,1312 4.595,1314 5.927,1316 7.47,1318 9.129,1320 10.853,1322 2.301,1323 6.382,1328 17.933,1329 7.744,1332 1.214,1340 53.976,1341 113.875,1342 288.724,1343 402.965,1344 485.675,1345 507.675,1346 511.675,1347 64.523,1348 9.653,1349 49.84,1350 49.84,1351 42,1352 13.217,1353 4.585,1354 3.7,1355 58.842,1356 288,1357 196,1358 0.097,1359 326.834,1360 566.01,1361 789.236,1362 345006,1363 1.1,1364 29.175,1365 0.678,1366 0.614,1367 29.675,1368 26.408,1369 21.136,1370 0.431,1371 0.351,1372 16.773,1373 20.569,1374 16.345,1375 13.508,1376 21.425,1377 17.192,1378 18.975,1379 0.275,1380 0.198,1381 19.384,1382 13.67,1383 16.221,1384 0.169,1385 0.106,1386 16.483,1387 10.216,1388 14.81,1389 0.107,1390 0.059,1391 15.045,1392 8.201,1393 12.872,1394 0.067,1395 0.033,1396 13.103,1397 6.295,1398 0.161,1399 131.717,1400 0.171,1401 38.997,1402 0.243,1403 236,1404 464.159,1405 259.068,1406 499.756,1407 710.18,1408 474,1409 283,1410 526.877,1411 301.418,1412 550.762,1413 818.6,1414 525,1415 4.213}
{0 CHEMBL2011489,1 1.286,2 17.636,3 10.687,4 114.212,5 187.108,6 6.674,7 0.44,8 4.576,9 4.709,10 4.065,11 4.187,12 5.455,13 4.118,14 5.186,15 5.379,16 4.446,17 4.643,18 5.993,19 4.536,20 5.532,21 5.782,22 4.559,23 4.823,24 6.279,25 4.686,26 5.572,27 5.836,28 4.531,29 4.808,30 6.312,31 4.663,32 5.554,33 5.809,34 4.453,35 4.817,36 6.27,37 4.66,38 5.613,39 5.883,40 4.409,41 4.838,42 6.277,43 4.647,44 5.624,45 5.911,46 4.277,47 4.789,48 6.255,49 4.57,50 5.533,51 5.832,52 4.175,53 4.667,54 6.147,55 4.434,56 0.099,57 1.275,58 21.333,59 9.18,60 11.95,61 13.074,62 0.207,63 2.223,64 40.613,65 16.668,66 24.762,67 23.918,68 0.37,69 2.979,70 60.181,71 22.67,72 41.962,73 32.922,74 0.522,75 3.1,76 62.639,77 22.646,78 49.814,79 33.319,80 0.433,81 3.057,82 60.12,83 22.39,84 41.51,85 32.882,86 0.403,87 3.09,88 64.573,89 25.631,90 42.042,91 36.929,92 0.412,93 3.022,94 68.063,95 26.1,96 43.648,97 37.362,98 0.373,99 2.671,100 64.448,101 24.337,102 40.692,103 34.547,104 5,105 70,106 0.19,107 0.478,108 0.669,109 0.808,110 0.851,111 0.866,112 3.81,113 1.062,114 -7.45,115 -7.23,116 -6.68,121 42.9,122 1,123 14,124 2,127 2,137 1,138 1,144 7,145 4,146 3,148 4,176 25,180 8,185 6,187 33,192 7,197 6,200 23,206 7,209 2,211 11,214 26,219 1,224 6,227 26,232 3,237 5,239 36,244 2,249 2,251 30,256 2,261 2,264 30,269 2,277 25,281 4124,282 30.637,283 30.637,284 30.637,285 30.637,286 30.637,287 27.777,288 30.006,289 18.551,290 30.996,291 24.839,292 24.839,293 24.839,294 24.839,295 24.839,296 20.337,297 33.216,298 8.979,299 25.487,300 5.222,301 3.271,302 1.983,303 1.041,304 0.75,305 0.646,306 4.539,308 1,313 1765,314 4.243,318 735.348,320 132.689,322 723.286,324 205.947,325 2.343,326 21.624,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.49,337 90.333,338 776,339 4.686,340 3.508,341 6.986,342 4.303,343 3.319,344 4.594,345 0.68,346 11.934,347 3.265,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 4.564,354 0.4,355 11.348,356 3.162,357 4.143,358 3.064,359 6.24,360 3.826,361 2.84,362 3.624,363 0.4,364 9.32,365 2.801,366 3.914,367 2.858,368 5.982,369 3.524,370 2.532,371 3.437,373 8.37,374 2.512,375 3.814,376 2.669,377 5.569,378 3.416,379 2.452,380 3.131,382 7.471,383 2.369,384 3.568,385 2.547,386 5.39,387 3.202,388 2.229,389 2.925,391 6.847,392 2.167,393 3.522,394 2.457,395 5.381,396 3.136,397 2.182,398 2.893,400 6.711,401 2.08,402 3.406,403 2.356,404 5.126,405 3.016,406 2.084,407 2.725,409 6.137,410 1.939,411 3.012,412 2.146,413 4.836,414 2.918,415 1.934,416 2.142,418 5.357,419 1.881,420 2.946,421 1.968,422 4.666,423 2.834,424 1.865,425 2.045,427 4.874,428 1.774,429 2.931,430 1.899,431 4.116,432 2.707,433 1.725,434 1.944,436 3.877,437 1.681,438 2.881,439 1.751,440 4.049,441 2.61,442 1.631,443 1.905,445 3.577,446 1.563,447 2.746,448 1.597,449 3.985,450 2.513,451 1.525,452 1.769,454 3.329,455 1.506,456 2.615,457 1.475,458 3.883,459 2.367,460 1.389,461 1.646,463 3.326,464 1.355,465 2.547,466 1.425,467 3.719,468 2.345,469 1.347,470 1.556,472 3.123,473 1.343,474 21.814,475 0.496,476 0.88,477 0.02,478 49.25,479 1.119,480 22,481 0.5,482 27.25,483 0.619,484 55.32,485 1.257,486 47.186,487 0.519,488 33.226,489 0.755,490 7.913,491 0.18,492 13.723,493 0.312,494 0.056,496 0.321,501 0.822,502 1.184,503 0.806,504 1.012,505 0.728,506 0.99,507 0.83,508 1.211,509 0.851,510 1.059,511 0.659,512 1.041,513 1.005,514 1.098,515 0.883,516 0.967,517 0.914,518 0.949,519 1.049,520 1.031,521 0.858,522 0.932,523 0.874,524 0.938,525 1.256,526 1.023,527 0.953,528 0.983,529 1.075,530 1.039,531 0.739,532 1.045,533 0.899,534 1.054,535 0.78,536 1.072,537 0.953,538 0.972,539 1.042,540 1.042,541 1.04,542 1.062,543 0.913,544 0.93,545 1.06,546 1.006,547 0.988,548 1.004,549 6.5,550 0.161,551 3.556,552 3.25,553 2.702,554 1.292,555 0.824,556 0.587,557 0.324,558 0.251,559 45240,560 85891,561 2.205,562 51.6,563 25,564 12,567 2,568 4,569 4,572 1.814,573 2.129,574 3.942,575 -0.009,582 117.013,583 1.286,584 3.237,585 4.525,586 5.467,587 5.758,588 5.862,589 3.162,590 4.897,591 5.442,592 4.272,593 4041.61,594 9.575,595 85043.6,600 592.209,601 1.143,602 5.418,603 0.13,604 0.005,605 0.051,606 0.043,607 0.038,608 0.02,609 0.014,610 0.012,611 0.008,612 0.007,613 0.325,614 0.33,615 0.5,616 0.327,617 263.489,618 0.01,619 -0.002,620 0.049,621 0.042,622 0.074,623 0.055,624 0.027,625 -0.11,626 0.02,627 -0.04,628 0.152,629 -0.023,630 0.022,631 -0.06,632 0.047,633 0.013,634 0.058,635 0.036,636 0.093,637 0.017,638 0.041,639 0.018,640 0.111,641 0.024,642 -0.173,643 0.04,644 -0.093,645 -0.031,646 -0.16,647 -0.073,648 0.021,649 -0.062,650 -0.028,651 -0.07,652 -0.009,653 -0.079,654 -0.077,655 -0.022,656 -0.069,657 -0.055,658 -0.127,659 -0.073,660 -0.01,661 -0.017,662 0.001,663 -0.006,664 -0.026,665 -0.009,666 0.9,667 2.272,668 0.705,669 54.012,670 0.98,671 1.122,672 6.22,673 38.688,674 0.666,675 3.932,676 4.263,677 4.585,678 4.942,679 5.263,680 5.425,681 5.598,682 5.778,683 5.855,684 5.878,685 11.12,686 0.61,687 607.35,688 3.932,689 5.485,690 6.354,691 7.252,692 8.145,693 9.056,694 9.96,695 10.878,696 11.788,697 12.711,698 4.4,703 2,708 2,714 4,715 7,716 2,720 7,722 22,734 2,740 1,741 91,743 23,744 2,745 50,747 97,748 39,749 18,750 5,751 7,756 7,757 16,758 1,763 1,767 7,768 2,770 14,772 20,773 19,774 2,777 1,784 1,786 1,793 47,794 4,795 2,796 5,797 1,802 4,808 0.286,822 2,829 7,831 1,833 4,835 1,849 1,850 1,859 2,864 1,865 1,868 44,876 16,877 2,880 2,892 1,901 20.667,902 16.376,903 9.583,904 6.5,907 5.029,908 1.52,909 1.021,910 9.306,911 14.697,912 4.143,913 4.754,914 5.382,915 6.035,916 6.669,917 7.065,918 7.484,919 7.904,920 8.242,921 8.31,922 0.909,923 76,924 16.405,926 7.057,927 0.026,929 7.313,931 33.368,933 29.34,936 1.813,937 79.778,941 529.7,942 157.849,943 69.593,944 39.149,948 157.849,949 568.848,950 69.593,951 8.825,952 39.695,953 75.81,954 69.593,955 33.519,957 529.7,958 39.149,959 529.7,960 227.441,962 39.149,964 482.615,965 47.084,968 58.322,969 90.05,970 118.217,972 529.7,973 69.593,974 196.997,977 529.7,978 73.213,979 84.635,980 36.022,981 72.72,982 529.7,983 69.593,984 196.997,986 0.574,987 0.335,988 0.2,989 0.119,990 35,991 14,992 0.124,993 12,994 6,995 1.355,996 5.532,997 457.101,998 0.387,999 30,1000 236.215,1005 29.905,1006 13.692,1007 6.623,1008 4.695,1009 69.593,1010 14.881,1011 10.122,1015 9.028,1017 36.022,1018 796.289,1019 62,1026 2.488,1028 1.541,1031 89.17,1032 102.072,1034 0.198,1035 0.497,1036 0.695,1037 0.84,1038 0.885,1039 0.901,1040 5.4,1041 2.084,1042 6.326,1043 6.711,1044 4.949,1045 5.442,1046 0.942,1047 7.163,1048 4.9,1049 6.591,1050 1.934,1051 7.886,1052 6.137,1053 4.443,1054 5.301,1056 8.097,1057 4.354,1058 7.903,1059 1.865,1060 9.553,1061 5.357,1062 6.547,1063 7.688,1064 0.425,1065 11.281,1066 6.46,1067 9.255,1068 1.725,1069 11.287,1070 4.874,1071 6.909,1072 8.434,1074 13.105,1075 6.795,1076 10.646,1077 1.631,1078 13.066,1079 3.877,1080 8.449,1081 10.295,1082 0.194,1083 15.802,1084 8.331,1085 12.065,1086 1.525,1087 14.877,1088 3.577,1089 9.246,1090 11.456,1092 17.997,1093 9.107,1094 13.508,1095 1.389,1096 16.712,1097 3.329,1098 10.555,1099 13.109,1100 0.09,1101 20.533,1102 10.408,1103 3.319,1104 1.347,1105 18.564,1106 3.326,1107 11.563,1108 14.466,1110 22.881,1111 11.396,1112 3.226,1113 11.934,1114 20.43,1115 3.123,1116 12.783,1117 16.036,1118 0.042,1119 25.363,1120 12.604,1121 2.84,1122 11.348,1123 22.308,1124 4.594,1125 13.887,1126 17.481,1128 27.775,1129 13.69,1130 2.532,1131 9.32,1132 24.194,1133 4.564,1134 15.076,1135 19.019,1136 0.019,1137 30.241,1138 14.864,1139 2.452,1140 8.37,1141 26.088,1142 3.624,1143 16.223,1144 20.505,1146 32.681,1147 15.993,1148 2.229,1149 7.471,1150 27.987,1151 3.437,1152 17.404,1153 22.031,1154 0.009,1155 35.142,1156 17.158,1157 2.182,1158 6.847,1159 29.892,1160 3.131,1161 18.571,1162 23.536,1164 37.595,1165 18.307,1166 40389,1167 55913,1168 34.789,1169 60.631,1170 74.352,1171 74.863,1172 75.819,1173 74.32,1174 74.131,1175 92.667,1176 2.96,1177 213.634,1178 72.138,1179 5.658,1180 5.508,1181 6.921,1182 5.345,1183 5.319,1184 7.594,1185 1.36,1186 19.51,1187 5.265,1188 13.768,1189 1.487,1190 1.497,1191 1.516,1192 1.486,1193 1.483,1194 1.853,1195 0.059,1196 4.273,1197 1.443,1198 4.158,1199 4.189,1200 4.147,1201 4.088,1202 5.043,1203 4.09,1204 4.097,1205 4.126,1206 4.066,1207 4.028,1208 4.968,1209 4.032,1210 3.874,1211 3.908,1212 3.866,1213 3.813,1214 4.697,1215 3.802,1216 3.793,1217 3.858,1218 3.639,1219 3.674,1220 4.432,1221 3.656,1222 3.732,1223 3.781,1224 3.616,1225 3.648,1226 4.413,1227 3.633,1228 3.638,1229 3.712,1230 3.586,1231 3.492,1232 4.281,1233 3.478,1234 3.484,1235 3.542,1236 3.452,1237 3.388,1238 4.234,1239 3.378,1240 3.415,1241 3.486,1242 3.263,1243 3.249,1244 4.099,1245 3.241,1246 0.094,1247 0.07,1248 0.14,1249 0.086,1250 0.066,1251 4.686,1252 0.092,1253 3.508,1254 0.014,1255 6.986,1256 0.239,1257 4.303,1258 0.065,1259 3.319,1260 4.594,1261 0.68,1262 11.934,1263 3.265,1264 2.098,1265 2.073,1266 2.188,1267 2.182,1268 1.536,1269 2.186,1270 2.072,1271 2.046,1272 2.159,1273 2.163,1274 1.438,1275 2.163,1276 1.881,1277 1.851,1278 2.054,1279 1.977,1280 1.413,1281 2.003,1282 1.804,1283 1.743,1284 1.998,1285 1.955,1286 1.258,1287 1.981,1288 1.754,1289 1.709,1290 1.949,1291 1.873,1292 1.179,1293 1.902,1294 1.649,1295 1.58,1296 1.907,1297 1.833,1298 1.144,1299 1.862,1300 1.478,1301 1.432,1302 1.712,1303 1.658,1304 0.997,1305 1.681,1306 1.417,1307 1.342,1308 1.689,1309 1.597,1310 0.918,1311 1.632,1312 4.615,1314 5.943,1316 7.482,1318 9.136,1320 10.858,1322 2.303,1323 6.383,1328 19.372,1329 7.747,1332 1.218,1340 55.503,1341 117.013,1342 294.589,1343 411.755,1344 497.48,1345 523.945,1346 533.454,1347 67.177,1348 9.668,1349 49.84,1350 49.84,1351 42,1352 13.221,1353 4.585,1354 3.7,1355 60.955,1356 310,1357 208,1358 0.093,1359 336.427,1360 583.31,1361 812.641,1362 360572,1363 1.1,1364 29.882,1365 0.679,1366 0.616,1367 30.382,1368 27.116,1369 21.636,1370 0.433,1371 0.354,1372 17.273,1373 21.069,1374 16.835,1375 13.924,1376 21.925,1377 17.692,1378 19.329,1379 0.276,1380 0.2,1381 19.737,1382 14.024,1383 16.471,1384 0.17,1385 0.108,1386 16.733,1387 10.466,1388 14.987,1389 0.108,1390 0.06,1391 15.222,1392 8.377,1393 12.997,1394 0.068,1395 0.033,1396 13.228,1397 6.42,1398 0.155,1399 134.717,1400 0.17,1401 39.905,1402 0.231,1403 240,1404 468.159,1405 263.068,1406 503.918,1407 715.94,1408 478,1409 287,1410 530.877,1411 305.418,1412 554.924,1413 824.36,1414 529,1415 8.452}
{0 CHEMBL2011490,1 1.278,2 18.467,3 11.143,4 124.171,5 191.709,6 6.61,7 0.431,8 4.605,9 4.739,10 4.085,11 4.214,12 5.477,13 4.142,14 5.217,15 5.412,16 4.461,17 4.668,18 6.016,19 4.559,20 5.565,21 5.818,22 4.573,23 4.848,24 6.301,25 4.707,26 5.603,27 5.869,28 4.546,29 4.833,30 6.334,31 4.685,32 5.585,33 5.843,34 4.468,35 4.842,36 6.292,37 4.682,38 5.643,39 5.915,40 4.426,41 4.862,42 6.299,43 4.669,44 5.653,45 5.942,46 4.296,47 4.814,48 6.278,49 4.594,50 5.566,51 5.866,52 4.196,53 4.696,54 6.173,55 4.461,56 0.104,57 1.315,58 22.213,59 9.541,60 12.335,61 13.613,62 0.215,63 2.291,64 42.15,65 17.285,66 25.457,67 24.843,68 0.38,69 3.063,70 62.172,71 23.454,72 42.788,73 34.118,74 0.531,75 3.182,76 64.586,77 23.408,78 50.598,79 34.496,80 0.442,81 3.14,82 62.116,83 23.182,84 42.227,85 34.097,86 0.412,87 3.172,88 66.46,89 26.398,90 42.752,91 38.07,92 0.419,93 3.1,94 69.807,95 26.84,96 44.054,97 38.454,98 0.38,99 2.75,100 66.126,101 25.062,102 41.169,103 35.605,104 5,105 71,106 0.188,107 0.469,108 0.657,109 0.794,110 0.84,111 0.859,112 3.831,113 1.07,114 -7.62,115 -7.39,116 -6.82,121 42.6,122 1,123 15,124 2,127 2,137 1,138 1,144 7,145 4,146 3,148 4,176 26,180 8,185 6,187 34,192 7,197 6,200 24,206 7,209 2,211 11,214 27,219 1,224 6,227 27,232 3,237 5,239 37,244 2,249 2,251 31,256 2,261 2,264 30,269 2,274 2,277 25,281 4456,282 31.344,283 31.344,284 31.344,285 31.344,286 31.344,287 28.484,288 30.006,289 19.051,290 31.703,291 25.339,292 25.339,293 25.339,294 25.339,295 25.339,296 20.837,297 33.216,298 9.229,299 25.987,300 5.277,301 3.36,302 2.085,303 1.147,304 0.838,305 0.71,306 4.56,308 1,313 1887,314 4.359,318 770.974,320 138.937,322 758.677,324 215.833,325 2.51,326 21.664,329 0.5,330 0.33,331 0.5,332 0.8,333 0.5,334 0.5,335 0.5,336 0.52,337 92.333,338 831,339 4.686,340 3.508,341 6.986,342 4.303,343 3.319,344 4.594,345 0.68,346 11.934,347 3.265,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 4.564,354 0.4,355 11.348,356 3.162,357 4.143,358 3.064,359 6.24,360 3.826,361 2.84,362 3.624,363 0.4,364 9.32,365 2.801,366 3.914,367 2.858,368 5.982,369 3.524,370 2.532,371 3.437,373 8.37,374 2.512,375 3.814,376 2.669,377 5.569,378 3.416,379 2.452,380 3.131,382 7.471,383 2.369,384 3.568,385 2.547,386 5.39,387 3.202,388 2.229,389 2.925,391 6.847,392 2.167,393 3.522,394 2.457,395 5.381,396 3.136,397 2.182,398 2.893,400 6.711,401 2.08,402 3.406,403 2.356,404 5.126,405 3.016,406 2.084,407 2.725,409 6.137,410 1.945,411 3.012,412 2.146,413 4.836,414 2.93,415 1.942,416 2.142,418 5.357,419 1.892,420 2.95,421 1.971,422 4.666,423 2.839,424 1.873,425 2.045,427 4.874,428 1.774,429 2.935,430 1.91,431 4.116,432 2.737,433 1.75,434 1.95,436 3.893,437 1.721,438 2.886,439 1.776,440 4.049,441 2.627,442 1.652,443 1.909,445 3.623,446 1.572,447 2.774,448 1.624,449 3.987,450 2.517,451 1.531,452 1.794,454 3.36,455 1.509,456 2.629,457 1.502,458 3.897,459 2.434,460 1.45,461 1.661,463 3.329,464 1.425,465 2.568,466 1.437,467 3.746,468 2.345,469 1.347,470 1.583,472 3.174,473 1.343,474 22.314,475 0.496,476 0.88,477 0.02,478 49.75,479 1.106,480 22,481 0.489,482 27.75,483 0.617,484 57.401,485 1.276,486 48.486,487 0.516,488 33.34,489 0.741,490 7.913,491 0.176,492 14.223,493 0.316,494 0.054,496 0.314,501 0.825,502 1.191,503 0.818,504 1.023,505 0.73,506 1.002,507 0.832,508 1.218,509 0.862,510 1.07,511 0.661,512 1.052,513 1.001,514 1.094,515 0.882,516 0.966,517 0.909,518 0.948,519 1.045,520 1.03,521 0.859,522 0.932,523 0.87,524 0.938,525 1.249,526 1.022,527 0.951,528 0.982,529 1.069,530 1.035,531 0.739,532 1.043,533 0.899,534 1.051,535 0.778,536 1.068,537 0.952,538 0.972,539 1.038,540 1.039,541 1.036,542 1.058,543 0.911,544 0.931,545 1.056,546 1.004,547 0.982,548 1.002,549 6.5,550 0.161,551 3.556,552 3.25,553 2.702,554 1.292,555 0.824,556 0.587,557 0.324,558 0.251,559 49245,560 92602,561 2.2,562 52.1,563 27,564 12,567 2,568 4,569 4,572 1.818,573 2.126,574 3.999,575 -0.017,582 120.133,583 1.278,584 3.195,585 4.469,586 5.408,587 5.717,588 5.844,589 3.245,590 5.003,591 5.474,592 4.34,593 4296.42,594 9.634,595 93427.6,600 616.131,601 1.132,602 5.451,603 0.127,604 0.004,605 0.05,606 0.042,607 0.037,608 0.019,609 0.014,610 0.012,611 0.007,612 0.007,613 0.319,614 0.33,615 0.5,616 0.322,617 272.426,618 0.012,619 -0.003,620 0.049,621 0.041,622 0.079,623 0.055,624 0.028,625 -0.113,626 0.016,627 -0.045,628 0.154,629 -0.028,630 0.027,631 -0.057,632 0.05,633 0.016,634 0.065,635 0.039,636 0.097,637 0.017,638 0.044,639 0.02,640 0.116,641 0.027,642 -0.165,643 0.04,644 -0.086,645 -0.027,646 -0.151,647 -0.067,648 0.023,649 -0.059,650 -0.025,651 -0.066,652 -0.005,653 -0.074,654 -0.075,655 -0.021,656 -0.066,657 -0.052,658 -0.122,659 -0.07,660 -0.009,661 -0.017,662 0.002,663 -0.005,664 -0.023,665 -0.009,666 0.898,667 2.273,668 0.689,669 57.577,670 0.979,671 1.122,672 6.39,673 40.83,674 0.664,675 3.951,676 4.277,677 4.595,678 4.949,679 5.268,680 5.429,681 5.602,682 5.781,683 5.858,684 5.881,685 11.638,686 0.607,687 621.38,688 3.951,689 5.501,690 6.368,691 7.263,692 8.154,693 9.063,694 9.966,695 10.883,696 11.792,697 12.714,698 4.3,703 2,708 2,714 4,715 7,716 2,720 7,722 22,734 2,740 1,741 94,743 23,744 2,745 51,747 100,748 40,749 18,750 5,751 7,756 7,757 16,758 1,763 1,767 7,768 2,770 15,772 20,773 20,774 2,777 1,784 1,786 1,793 49,794 4,795 2,796 5,797 1,802 4,808 0.286,822 2,829 7,831 1,833 4,835 1,849 1,850 1,859 2,864 1,865 1,868 45,876 17,877 2,880 2,892 1,901 21.167,902 16.876,903 9.833,904 6.75,907 5.015,908 1.518,909 1.017,910 9.823,911 14.698,912 4.159,913 4.762,914 5.387,915 6.038,916 6.67,917 7.066,918 7.485,919 7.904,920 8.242,921 8.31,922 1,923 77,924 16.782,926 7.2,927 0.026,929 7.306,931 34.184,933 30.007,936 1.806,937 81.278,941 553.242,942 160.383,943 69.593,944 39.149,948 160.383,949 592.39,950 69.593,951 8.825,952 42.229,953 75.81,954 69.593,955 33.519,957 553.242,958 39.149,959 553.242,960 229.976,962 39.149,964 506.157,965 47.084,968 60.856,969 90.05,970 118.217,972 553.242,973 69.593,974 199.532,977 553.242,978 75.748,979 84.635,980 36.022,981 72.72,982 553.242,983 69.593,984 199.532,986 0.572,987 0.333,988 0.198,989 0.118,990 35,991 14,992 0.13,993 13,994 6,995 1.355,996 5.645,997 466.021,998 0.387,999 30,1000 247.133,1005 30.852,1006 14.328,1007 6.993,1008 4.705,1009 69.593,1010 14.893,1011 10.123,1015 9.045,1017 36.022,1018 822.366,1019 63,1026 2.489,1028 1.543,1031 92.054,1032 105.487,1034 0.195,1035 0.487,1036 0.682,1037 0.825,1038 0.872,1039 0.892,1040 5.414,1041 2.084,1042 6.337,1043 6.711,1044 4.963,1045 5.451,1046 0.942,1047 7.169,1048 4.915,1049 6.6,1050 1.942,1051 7.894,1052 6.137,1053 4.443,1054 5.301,1056 8.097,1057 4.354,1058 7.91,1059 1.873,1060 9.558,1061 5.357,1062 6.555,1063 7.691,1064 0.425,1065 11.282,1066 6.47,1067 9.26,1068 1.75,1069 11.29,1070 4.874,1071 6.909,1072 8.434,1074 13.105,1075 6.795,1076 10.649,1077 1.652,1078 13.068,1079 3.893,1080 8.453,1081 10.295,1082 0.194,1083 15.802,1084 8.336,1085 12.068,1086 1.531,1087 14.879,1088 3.623,1089 9.246,1090 11.456,1092 17.997,1093 9.107,1094 13.509,1095 1.45,1096 16.712,1097 3.36,1098 10.557,1099 13.11,1100 0.09,1101 20.533,1102 10.41,1103 3.319,1104 1.347,1105 18.564,1106 3.329,1107 11.563,1108 14.466,1110 22.881,1111 11.396,1112 3.226,1113 11.934,1114 20.43,1115 3.174,1116 12.784,1117 16.036,1118 0.042,1119 25.363,1120 12.605,1121 2.84,1122 11.348,1123 22.308,1124 4.594,1125 13.887,1126 17.481,1128 27.775,1129 13.69,1130 2.532,1131 9.32,1132 24.194,1133 4.564,1134 15.077,1135 19.019,1136 0.019,1137 30.241,1138 14.864,1139 2.452,1140 8.37,1141 26.088,1142 3.624,1143 16.223,1144 20.505,1146 32.681,1147 15.993,1148 2.229,1149 7.471,1150 27.987,1151 3.437,1152 17.404,1153 22.031,1154 0.009,1155 35.142,1156 17.158,1157 2.182,1158 6.847,1159 29.892,1160 3.131,1161 18.571,1162 23.536,1164 37.595,1165 18.307,1166 44010,1167 60629,1168 35.482,1169 62.393,1170 75.583,1171 76.152,1172 77.088,1173 75.558,1174 75.358,1175 93.885,1176 2.96,1177 216.061,1178 73.366,1179 5.661,1180 5.508,1181 6.93,1182 5.345,1183 5.319,1184 7.594,1185 1.36,1186 19.51,1187 5.265,1188 14.023,1189 1.482,1190 1.493,1191 1.512,1192 1.482,1193 1.478,1194 1.841,1195 0.058,1196 4.236,1197 1.439,1198 4.158,1199 4.189,1200 4.147,1201 4.088,1202 5.043,1203 4.09,1204 4.097,1205 4.126,1206 4.066,1207 4.028,1208 4.968,1209 4.032,1210 3.874,1211 3.908,1212 3.866,1213 3.813,1214 4.697,1215 3.802,1216 3.803,1217 3.867,1218 3.646,1219 3.685,1220 4.432,1221 3.666,1222 3.732,1223 3.781,1224 3.617,1225 3.649,1226 4.413,1227 3.634,1228 3.664,1229 3.736,1230 3.592,1231 3.523,1232 4.281,1233 3.507,1234 3.505,1235 3.574,1236 3.479,1237 3.395,1238 4.239,1239 3.386,1240 3.442,1241 3.5,1242 3.303,1243 3.296,1244 4.115,1245 3.284,1246 0.092,1247 0.069,1248 0.137,1249 0.084,1250 0.065,1251 4.686,1252 0.09,1253 3.508,1254 0.013,1255 6.986,1256 0.234,1257 4.303,1258 0.064,1259 3.319,1260 4.594,1261 0.68,1262 11.934,1263 3.265,1264 2.098,1265 2.073,1266 2.188,1267 2.182,1268 1.536,1269 2.186,1270 2.072,1271 2.046,1272 2.159,1273 2.163,1274 1.44,1275 2.163,1276 1.881,1277 1.851,1278 2.061,1279 1.979,1280 1.421,1281 2.008,1282 1.812,1283 1.752,1284 2,1285 1.96,1286 1.289,1287 1.984,1288 1.754,1289 1.709,1290 1.95,1291 1.873,1292 1.184,1293 1.903,1294 1.678,1295 1.611,1296 1.934,1297 1.856,1298 1.148,1299 1.886,1300 1.499,1301 1.443,1302 1.762,1303 1.698,1304 1.06,1305 1.724,1306 1.449,1307 1.386,1308 1.691,1309 1.601,1310 0.918,1311 1.635,1312 4.635,1314 5.958,1316 7.493,1318 9.144,1320 10.863,1322 2.304,1323 6.384,1328 20.819,1329 7.75,1332 1.222,1340 57.029,1341 120.133,1342 300.295,1343 420.108,1344 508.357,1345 537.376,1346 549.376,1347 69.885,1348 9.683,1349 49.84,1350 49.84,1351 42,1352 13.224,1353 4.585,1354 3.7,1355 63.093,1356 332,1357 221,1358 0.089,1359 346.019,1360 600.61,1361 836.047,1362 376377,1363 1.1,1364 30.589,1365 0.68,1366 0.618,1367 31.089,1368 27.823,1369 22.136,1370 0.434,1371 0.357,1372 17.773,1373 21.569,1374 17.325,1375 14.341,1376 22.425,1377 18.192,1378 19.682,1379 0.277,1380 0.202,1381 20.091,1382 14.377,1383 16.721,1384 0.171,1385 0.109,1386 16.983,1387 10.716,1388 15.164,1389 0.108,1390 0.061,1391 15.399,1392 8.554,1393 13.122,1394 0.068,1395 0.034,1396 13.353,1397 6.545,1398 0.15,1399 137.717,1400 0.168,1401 40.801,1402 0.22,1403 244,1404 472.159,1405 267.068,1406 508.079,1407 721.7,1408 482,1409 291,1410 534.877,1411 309.418,1412 559.086,1413 830.12,1414 533,1415 8.378}
{0 CHEMBL2011491,1 1.37,2 15.738,3 9.983,4 99.656,5 178.109,6 7.313,7 0.458,8 4.486,9 4.611,10 4.054,11 4.118,12 5.401,13 4.054,14 5.091,15 5.272,16 4.465,17 4.58,18 5.949,19 4.485,20 5.434,21 5.667,22 4.581,23 4.766,24 6.238,25 4.639,26 5.476,27 5.727,28 4.556,29 4.744,30 6.275,31 4.612,32 5.455,33 5.698,34 4.472,35 4.753,36 6.215,37 4.608,38 5.521,39 5.779,40 4.468,41 4.78,42 6.235,43 4.601,44 5.537,45 5.811,46 4.347,47 4.741,48 6.225,49 4.53,50 5.439,51 5.72,52 4.221,53 4.615,54 6.12,55 4.386,56 0.074,57 1.142,58 17.772,59 7.94,60 9.44,61 11.133,62 0.169,63 2.002,64 35.487,65 14.758,66 22.857,67 20.798,68 0.353,69 2.701,70 56.524,71 20.644,72 41.84,73 29.21,74 0.539,75 2.836,76 58.741,77 20.65,78 51.938,79 29.677,80 0.413,81 2.798,82 54.354,83 20.157,84 39.704,85 28.956,86 0.419,87 2.825,88 60.938,89 23.594,90 42.241,91 33.507,92 0.466,93 2.759,94 68.462,95 24.631,96 47.29,97 34.435,98 0.417,99 2.391,100 67.519,101 23.217,102 45.502,103 32.05,104 10,105 69,106 0.206,107 0.516,108 0.701,109 0.812,110 0.831,111 0.845,112 3.765,113 1.042,114 -7.37,115 -7.16,116 -6.61,121 43.9,122 1,123 11,124 2,127 2,137 1,138 1,144 6,145 4,146 4,148 4,176 20,180 8,185 6,187 31,192 6,197 6,200 20,206 8,209 2,211 11,214 24,219 1,224 5,227 22,232 3,237 4,239 35,244 2,248 1,251 30,256 2,264 27,269 2,274 4,277 17,281 3472,282 28.963,283 28.963,284 28.963,285 28.963,286 28.963,287 26.078,288 31.608,289 17.187,290 29.459,291 23.822,292 23.822,293 23.822,294 23.822,295 23.822,296 19.25,297 33.857,298 8.309,299 24.736,300 4.988,301 2.932,302 1.702,303 0.96,304 0.838,305 0.741,306 4.493,308 2,313 1505,314 3.937,318 648.467,320 118.03,322 635.645,324 182.43,325 1.921,326 24.728,329 0.5,330 0.5,331 0.5,332 0.6,333 0.5,334 0.67,335 1,336 0.61,337 86.667,338 661,339 4.686,340 3.508,341 6.986,342 4.303,343 3.319,344 4.594,345 0.68,346 11.934,347 3.265,348 4.651,349 3.373,350 6.833,351 4.214,352 3.235,353 4.582,354 0.4,355 11.364,356 3.165,357 4.143,358 3.064,359 6.24,360 3.826,361 2.84,362 3.624,363 0.4,364 9.32,365 2.801,366 3.99,367 2.943,368 6.004,369 3.58,370 2.61,371 3.534,373 8.477,374 2.532,375 3.814,376 2.858,377 5.569,378 3.416,379 2.452,380 3.131,382 7.471,383 2.369,384 3.584,385 2.562,386 5.427,387 3.202,388 2.252,389 2.961,391 6.886,392 2.167,393 3.568,394 2.547,395 5.39,396 3.192,397 2.229,398 2.925,400 6.847,401 2.103,402 3.406,403 2.457,404 5.126,405 3.015,406 2.084,407 2.725,409 6.137,410 1.925,411 3.365,412 2.272,413 4.899,414 2.895,415 1.986,416 2.699,418 5.573,419 1.817,420 3.012,421 2.145,422 4.836,423 2.862,424 1.906,425 2.045,427 5.357,428 1.773,429 2.912,430 1.961,431 4.666,432 2.803,433 1.82,434 1.928,436 4.874,437 1.703,438 2.856,439 1.849,440 4.121,441 2.643,442 1.671,443 1.88,445 3.797,446 1.58,447 2.69,448 1.64,449 4.049,450 2.47,451 1.495,452 1.739,454 3.436,455 1.452,456 2.6,457 1.455,458 3.972,459 2.412,460 1.422,461 1.623,463 3.34,464 1.403,465 2.491,466 1.433,467 3.811,468 2.249,469 1.257,470 1.49,472 3.119,473 1.246,474 21.029,475 0.501,476 0.986,477 0.023,478 48.5,479 1.155,480 22,481 0.524,482 26.5,483 0.631,484 51.902,485 1.236,486 44.371,487 0.541,488 33.677,489 0.802,490 7.986,491 0.19,492 12.544,493 0.299,494 0.092,496 0.357,501 0.723,502 1.157,503 0.673,504 0.928,505 0.648,506 0.921,507 0.739,508 1.187,509 0.715,510 0.975,511 0.564,512 0.973,513 0.967,514 1.113,515 0.857,516 0.963,517 0.893,518 0.95,519 0.898,520 1.044,521 0.776,522 0.922,523 0.768,524 0.934,525 1.069,526 1.029,527 0.819,528 0.948,529 0.931,530 1.028,531 0.623,532 1.053,533 0.777,534 1.031,535 0.673,536 1.063,537 0.95,538 0.942,539 1.038,540 1.042,541 1.04,542 1.073,543 1.041,544 0.942,545 1.201,546 1.081,547 1.135,548 1.063,549 7.5,550 0.128,551 3.778,552 3.438,553 2.893,554 1.431,555 0.986,556 0.665,557 0.369,558 0.251,559 36418,560 79075,561 2.2,562 48.8,563 19,564 11,567 2,568 4,569 4,572 1.807,573 2.1,574 3.811,575 0.031,582 112.325,583 1.37,584 3.426,585 4.656,586 5.397,587 5.519,588 5.617,589 3.019,590 5.154,591 5.374,592 4.087,593 3519.05,594 9.464,595 67706.7,600 521.319,601 1.264,602 5.342,603 0.156,604 0.004,605 0.055,606 0.046,607 0.041,608 0.022,609 0.016,610 0.013,611 0.009,612 0.007,613 0.369,614 0.33,615 0.63,616 0.4,617 244.361,618 -0.01,619 -0.002,620 0.033,621 0.041,622 0.036,623 0.055,624 0.019,625 -0.097,626 0.041,627 -0.01,628 0.158,629 0.004,630 -0.019,631 -0.071,632 0.012,633 -0.003,634 0.014,635 0.02,636 0.098,637 0.014,638 0.038,639 0.009,640 0.111,641 0.017,642 -0.156,643 0.045,644 -0.073,645 -0.024,646 -0.148,647 -0.08,648 0.078,649 -0.071,650 0.017,651 -0.062,652 0.034,653 -0.074,654 -0.058,655 0.006,656 -0.065,657 -0.049,658 -0.12,659 -0.076,660 -0.054,661 -0.042,662 -0.064,663 -0.052,664 -0.08,665 -0.046,666 0.913,667 2.271,668 0.738,669 45.492,670 0.986,671 1.119,672 6.143,673 37.738,674 0.685,675 3.892,676 4.248,677 4.575,678 4.942,679 5.273,680 5.451,681 5.624,682 5.811,683 5.886,684 5.908,685 9.724,686 0.631,687 599.7,688 3.892,689 5.46,690 6.337,691 7.245,692 8.144,693 9.062,694 9.971,695 10.894,696 11.808,697 12.734,698 4.9,703 2,708 2,714 4,715 6,716 2,720 8,722 22,734 2,740 2,741 82,743 23,744 2,745 48,747 88,748 36,749 18,750 6,751 6,756 7,757 16,758 2,763 1,767 7,768 2,770 11,772 20,773 16,774 2,777 1,784 1,786 1,793 40,794 4,795 2,796 6,797 2,802 4,808 0.286,822 2,829 7,831 1,833 4,835 1,849 1,850 1,859 2,864 1,865 2,868 42,876 13,877 2,880 2,892 2,901 20,902 14.936,903 9,904 5.73,907 5.081,908 1.524,909 1.032,910 8.248,911 14.771,912 4.111,913 4.754,914 5.389,915 6.052,916 6.697,917 7.113,918 7.528,919 7.957,920 8.287,921 8.358,922 0.9,923 75,924 15.63,926 6.801,927 0.026,929 7.382,931 31.479,933 27.818,936 1.882,937 79.056,941 447.302,942 144.269,943 69.593,944 78.297,948 144.269,949 525.599,950 69.593,951 8.825,952 32.091,953 66.334,954 69.593,955 37.019,957 447.302,958 78.297,959 447.302,960 213.862,962 78.297,964 400.217,965 47.084,968 50.718,969 84.075,970 157.366,972 447.302,973 69.593,974 222.567,977 447.302,978 69.11,979 75.159,980 36.022,981 111.868,982 447.302,983 69.593,984 222.567,986 0.583,987 0.34,988 0.203,989 0.123,990 36,991 15,992 0.102,993 9,994 6,995 1.355,996 5.233,997 445.29,998 0.387,999 30,1000 224.477,1005 28.287,1006 12.247,1007 5.874,1008 4.443,1009 69.593,1010 12.317,1011 10.093,1015 9.522,1017 36.022,1018 739.461,1019 60,1026 2.479,1028 1.529,1031 80.843,1032 91.77,1034 0.215,1035 0.539,1036 0.732,1037 0.849,1038 0.868,1039 0.883,1040 5.382,1041 2.084,1042 6.326,1043 6.847,1044 4.934,1045 5.442,1046 0.942,1047 7.179,1048 4.867,1049 6.592,1050 1.986,1051 7.899,1052 6.137,1053 4.511,1054 5.366,1056 8.129,1057 4.385,1058 7.917,1059 1.906,1060 9.574,1061 5.573,1062 6.555,1063 7.712,1064 0.425,1065 11.302,1066 6.444,1067 9.278,1068 1.82,1069 11.312,1070 5.357,1071 6.957,1072 8.481,1074 13.12,1075 6.812,1076 10.675,1077 1.671,1078 13.091,1079 4.874,1080 8.469,1081 10.324,1082 0.194,1083 15.817,1084 8.327,1085 12.097,1086 1.495,1087 14.901,1088 3.797,1089 9.282,1090 11.492,1092 18.007,1093 9.118,1094 13.541,1095 1.422,1096 16.733,1097 3.436,1098 10.579,1099 13.138,1100 0.09,1101 20.543,1102 10.41,1103 3.319,1104 1.257,1105 18.583,1106 3.34,1107 11.591,1108 14.496,1110 22.889,1111 11.405,1112 3.235,1113 11.934,1114 20.446,1115 3.119,1116 12.806,1117 16.064,1118 0.042,1119 25.371,1120 12.609,1121 2.84,1122 11.364,1123 22.322,1124 4.594,1125 13.911,1126 17.511,1128 27.783,1129 13.697,1130 2.61,1131 9.32,1132 24.206,1133 4.582,1134 15.098,1135 19.048,1136 0.019,1137 30.249,1138 14.87,1139 2.452,1140 8.477,1141 26.098,1142 3.624,1143 16.245,1144 20.535,1146 32.688,1147 16,1148 2.252,1149 7.471,1150 27.997,1151 3.534,1152 17.425,1153 22.062,1154 0.009,1155 35.15,1156 17.164,1157 2.229,1158 6.886,1159 29.901,1160 3.131,1161 18.592,1162 23.568,1164 37.602,1165 18.313,1166 32576,1167 48245,1168 33.115,1169 56.205,1170 72.18,1171 73.06,1172 73.943,1173 72.239,1174 71.87,1175 90.567,1176 2.96,1177 212.058,1178 69.055,1179 5.647,1180 5.508,1181 6.873,1182 5.345,1183 5.319,1184 7.594,1185 1.36,1186 19.51,1187 5.265,1188 16.28,1189 1.504,1190 1.522,1191 1.54,1192 1.505,1193 1.497,1194 1.887,1195 0.062,1196 4.418,1197 1.439,1198 4.157,1199 4.187,1200 4.156,1201 4.088,1202 5.055,1203 4.09,1204 4.098,1205 4.125,1206 4.11,1207 4.032,1208 5.021,1209 4.035,1210 3.874,1211 3.908,1212 3.866,1213 3.813,1214 4.698,1215 3.802,1216 3.751,1217 3.816,1218 3.778,1219 3.663,1220 4.684,1221 3.648,1222 3.734,1223 3.78,1224 3.616,1225 3.615,1226 4.431,1227 3.598,1228 3.53,1229 3.603,1230 3.554,1231 3.404,1232 4.282,1233 3.397,1234 3.449,1235 3.503,1236 3.416,1237 3.312,1238 4.211,1239 3.304,1240 3.301,1241 3.368,1242 3.291,1243 3.174,1244 4.15,1245 3.162,1246 0.098,1247 0.073,1248 0.146,1249 0.09,1250 0.069,1251 4.686,1252 0.096,1253 3.508,1254 0.014,1255 6.986,1256 0.249,1257 4.303,1258 0.068,1259 3.319,1260 4.594,1261 0.68,1262 11.934,1263 3.265,1264 2.098,1265 2.073,1266 2.188,1267 2.182,1268 1.536,1269 2.186,1270 2.07,1271 2.047,1272 2.149,1273 2.158,1274 1.437,1275 2.159,1276 1.881,1277 1.851,1278 2.02,1279 1.973,1280 1.365,1281 1.993,1282 1.759,1283 1.71,1284 1.987,1285 1.923,1286 1.188,1287 1.953,1288 1.75,1289 1.694,1290 1.925,1291 1.863,1292 1.15,1293 1.891,1294 1.516,1295 1.456,1296 1.769,1297 1.724,1298 1.052,1299 1.744,1300 1.451,1301 1.392,1302 1.69,1303 1.601,1304 0.918,1305 1.634,1306 1.287,1307 1.231,1308 1.509,1309 1.481,1310 0.777,1311 1.498,1312 4.575,1314 5.922,1316 7.476,1318 9.142,1320 10.872,1322 2.294,1323 12.684,1328 14.801,1329 7.707,1332 1.186,1340 51.75,1341 112.325,1342 280.926,1343 381.752,1344 442.564,1345 452.564,1346 460.564,1347 63.802,1348 9.69,1349 49.84,1350 49.84,1351 42,1352 13.241,1353 4.585,1354 3.7,1355 56.653,1356 258,1357 202,1358 0.105,1359 315.983,1360 546.62,1361 762.757,1362 340388,1363 2.4,1364 28.631,1365 0.682,1366 0.62,1367 29.631,1368 26.051,1369 20.53,1370 0.428,1371 0.347,1372 15.903,1373 19.654,1374 15.458,1375 12.724,1376 21.107,1377 16.669,1378 18.902,1379 0.274,1380 0.196,1381 19.719,1382 13.544,1383 16.056,1384 0.167,1385 0.104,1386 16.581,1387 10.007,1388 14.721,1389 0.106,1390 0.058,1391 15.19,1392 8.04,1393 12.838,1394 0.066,1395 0.032,1396 13.301,1397 6.208,1398 0.172,1399 131.256,1400 0.174,1401 37.85,1402 0.27,1403 234,1404 490.363,1405 272.588,1406 553.59,1407 770.03,1408 522,1409 282,1410 545.74,1411 310.177,1412 579.088,1413 860.66,1414 551,1415 9.131}
{0 CHEMBL2011492,1 1.36,2 16.581,3 10.439,4 108.973,5 182.71,6 7.22,7 0.449,8 4.518,9 4.645,10 4.074,11 4.146,12 5.425,13 4.081,14 5.125,15 5.309,16 4.481,17 4.607,18 5.973,19 4.508,20 5.469,21 5.707,22 4.595,23 4.792,24 6.262,25 4.662,26 5.511,27 5.765,28 4.57,29 4.771,30 6.298,31 4.635,32 5.49,33 5.736,34 4.487,35 4.78,36 6.239,37 4.631,38 5.554,39 5.815,40 4.484,41 4.806,42 6.259,43 4.624,44 5.569,45 5.845,46 4.365,47 4.766,48 6.247,49 4.554,50 5.476,51 5.76,52 4.242,53 4.644,54 6.153,55 4.414,56 0.079,57 1.182,58 18.715,59 8.311,60 9.893,61 11.691,62 0.178,63 2.07,64 37.182,65 15.402,66 23.695,67 21.771,68 0.366,69 2.788,70 58.779,71 21.478,72 42.874,73 30.499,74 0.551,75 2.919,76 60.947,77 21.448,78 52.915,79 30.936,80 0.424,81 2.882,82 56.666,83 20.998,84 40.642,85 30.273,86 0.431,87 2.908,88 63.108,89 24.403,90 43.2,91 34.724,92 0.448,93 2.836,94 70.372,95 25.344,96 46.778,97 35.54,98 0.464,99 2.482,100 69.507,101 23.888,102 47.558,103 33.048,104 10,105 70,106 0.203,107 0.505,108 0.689,109 0.807,110 0.834,111 0.848,112 3.787,113 1.051,114 -7.55,115 -7.32,116 -6.76,121 43.5,122 1,123 12,124 2,127 2,137 1,138 1,144 6,145 4,146 4,148 4,176 21,180 8,185 6,187 32,192 6,197 6,200 21,206 8,209 2,211 11,214 25,219 1,224 5,227 22,232 3,237 6,239 35,244 2,251 30,256 2,260 1,264 31,269 2,277 21,281 3751,282 29.67,283 29.67,284 29.67,285 29.67,286 29.67,287 26.785,288 31.608,289 17.687,290 30.166,291 24.322,292 24.322,293 24.322,294 24.322,295 24.322,296 19.75,297 33.857,298 8.559,299 25.236,300 5.05,301 3.031,302 1.8,303 1.015,304 0.832,305 0.738,306 4.515,308 2,313 1621,314 4.062,318 684.112,320 124.254,322 671.255,324 192.371,325 2.08,326 24.775,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.67,335 1,336 0.59,337 88.667,338 713,339 4.686,340 3.508,341 6.986,342 4.303,343 3.319,344 4.594,345 0.68,346 11.934,347 3.265,348 4.651,349 3.373,350 6.833,351 4.214,352 3.235,353 4.582,354 0.4,355 11.364,356 3.165,357 4.143,358 3.064,359 6.24,360 3.826,361 2.84,362 3.624,363 0.4,364 9.32,365 2.801,366 3.99,367 2.943,368 6.004,369 3.58,370 2.61,371 3.534,373 8.477,374 2.532,375 3.814,376 2.858,377 5.569,378 3.416,379 2.452,380 3.131,382 7.471,383 2.369,384 3.584,385 2.562,386 5.427,387 3.202,388 2.252,389 2.961,391 6.886,392 2.167,393 3.568,394 2.547,395 5.39,396 3.192,397 2.229,398 2.925,400 6.847,401 2.103,402 3.406,403 2.457,404 5.126,405 3.015,406 2.084,407 2.725,409 6.137,410 1.93,411 3.365,412 2.272,413 4.899,414 2.904,415 1.987,416 2.699,418 5.573,419 1.846,420 3.012,421 2.146,422 4.836,423 2.869,424 1.914,425 2.045,427 5.357,428 1.773,429 2.921,430 1.964,431 4.666,432 2.818,433 1.84,434 1.933,436 4.874,437 1.703,438 2.869,439 1.87,440 4.121,441 2.658,442 1.686,443 1.893,445 3.83,446 1.599,447 2.709,448 1.681,449 4.049,450 2.532,451 1.552,452 1.754,454 3.476,455 1.512,456 2.623,457 1.488,458 3.977,459 2.426,460 1.435,461 1.651,463 3.367,464 1.415,465 2.495,466 1.434,467 3.838,468 2.25,469 1.262,470 1.494,472 3.157,473 1.246,474 21.529,475 0.501,476 0.986,477 0.023,478 49,479 1.14,480 22,481 0.512,482 27,483 0.628,484 53.962,485 1.255,486 45.671,487 0.537,488 33.771,489 0.785,490 7.986,491 0.186,492 13.044,493 0.303,494 0.09,496 0.348,501 0.726,502 1.166,503 0.686,504 0.941,505 0.649,506 0.935,507 0.74,508 1.194,509 0.727,510 0.988,511 0.565,512 0.986,513 0.962,514 1.108,515 0.855,516 0.961,517 0.886,518 0.948,519 0.894,520 1.041,521 0.777,522 0.921,523 0.764,524 0.932,525 1.063,526 1.027,527 0.819,528 0.946,529 0.924,530 1.023,531 0.623,532 1.051,533 0.779,534 1.027,535 0.671,536 1.057,537 0.97,538 0.97,539 1.034,540 1.043,541 1.045,542 1.069,543 1.053,544 0.901,545 1.194,546 1.056,547 1.139,548 1.046,549 7.5,550 0.161,551 3.778,552 3.438,553 2.893,554 1.431,555 0.986,556 0.665,557 0.369,558 0.271,559 39979,560 85740,561 2.195,562 49.4,563 21,564 11,567 2,568 4,569 4,572 1.811,573 2.098,574 3.871,575 0.022,582 115.571,583 1.36,584 3.378,585 4.609,586 5.395,587 5.577,588 5.671,589 3.109,590 5.147,591 5.408,592 4.163,593 3758.81,594 9.524,595 74989.2,600 544.798,601 1.253,602 5.377,603 0.153,604 0.005,605 0.054,606 0.045,607 0.04,608 0.022,609 0.016,610 0.013,611 0.009,612 0.008,613 0.364,614 0.33,615 0.63,616 0.394,617 253.303,618 -0.007,619 -0.002,620 0.033,621 0.041,622 0.041,623 0.054,624 0.021,625 -0.1,626 0.038,627 -0.015,628 0.16,629 -0.002,630 -0.013,631 -0.067,632 0.019,633 0.002,634 0.023,635 0.025,636 0.103,637 0.014,638 0.042,639 0.012,640 0.118,641 0.021,642 -0.148,643 0.045,644 -0.066,645 -0.019,646 -0.138,647 -0.072,648 0.08,649 -0.067,650 0.02,651 -0.057,652 0.038,653 -0.068,654 -0.076,655 -0.021,656 -0.061,657 -0.051,658 -0.124,659 -0.073,660 -0.04,661 0.007,662 -0.061,663 -0.034,664 -0.077,665 -0.037,666 0.91,667 2.271,668 0.721,669 48.553,670 0.985,671 1.12,672 6.316,673 39.897,674 0.682,675 3.912,676 4.263,677 4.585,678 4.949,679 5.278,680 5.455,681 5.628,682 5.814,683 5.889,684 5.911,685 10.25,686 0.627,687 613.73,688 3.912,689 5.476,690 6.351,691 7.256,692 8.153,693 9.07,694 9.977,695 10.899,696 11.811,697 12.737,698 4.7,703 2,708 2,714 4,715 6,716 2,720 8,722 22,734 2,740 2,741 85,743 23,744 2,745 49,747 91,748 37,749 18,750 6,751 6,756 7,757 16,758 2,763 1,767 7,768 2,770 12,772 20,773 17,774 2,777 1,784 1,786 1,793 42,794 4,795 2,796 6,797 2,802 4,808 0.286,822 2,829 7,831 1,833 4,835 1,849 1,850 1,859 2,864 1,865 2,868 43,876 14,877 2,880 2,892 2,901 20.5,902 15.436,903 9.25,904 5.98,907 5.067,908 1.522,909 1.027,910 8.738,911 14.772,912 4.127,913 4.762,914 5.394,915 6.054,916 6.698,917 7.114,918 7.529,919 7.958,920 8.287,921 8.358,922 1,923 76,924 16.008,926 6.943,927 0.026,929 7.373,931 32.296,933 28.484,936 1.873,937 80.556,941 470.844,942 146.804,943 69.593,944 78.297,948 146.804,949 549.141,950 69.593,951 8.825,952 34.626,953 66.334,954 69.593,955 37.019,957 470.844,958 78.297,959 470.844,960 216.396,962 78.297,964 423.76,965 47.084,968 53.253,969 84.075,970 157.366,972 470.844,973 69.593,974 225.101,977 470.844,978 71.645,979 75.159,980 36.022,981 111.868,982 470.844,983 69.593,984 225.101,986 0.581,987 0.338,988 0.201,989 0.121,990 36,991 15,992 0.11,993 10,994 6,995 1.355,996 5.348,997 453.922,998 0.387,999 30,1000 231.329,1005 29.23,1006 12.854,1007 6.222,1008 4.463,1009 69.593,1010 12.335,1011 10.094,1015 9.56,1017 36.022,1018 765.538,1019 61,1026 2.481,1028 1.532,1031 83.727,1032 95.185,1034 0.212,1035 0.527,1036 0.719,1037 0.842,1038 0.87,1039 0.885,1040 5.396,1041 2.084,1042 6.337,1043 6.847,1044 4.949,1045 5.451,1046 0.942,1047 7.185,1048 4.882,1049 6.602,1050 1.987,1051 7.907,1052 6.137,1053 4.511,1054 5.366,1056 8.129,1057 4.385,1058 7.924,1059 1.914,1060 9.579,1061 5.573,1062 6.564,1063 7.715,1064 0.425,1065 11.303,1066 6.454,1067 9.283,1068 1.84,1069 11.315,1070 5.357,1071 6.957,1072 8.481,1074 13.12,1075 6.812,1076 10.678,1077 1.686,1078 13.093,1079 4.874,1080 8.473,1081 10.325,1082 0.194,1083 15.817,1084 8.332,1085 12.1,1086 1.552,1087 14.902,1088 3.83,1089 9.282,1090 11.492,1092 18.007,1093 9.118,1094 13.542,1095 1.435,1096 16.733,1097 3.476,1098 10.58,1099 13.138,1100 0.09,1101 20.543,1102 10.412,1103 3.319,1104 1.262,1105 18.583,1106 3.367,1107 11.591,1108 14.496,1110 22.889,1111 11.405,1112 3.235,1113 11.934,1114 20.447,1115 3.157,1116 12.807,1117 16.064,1118 0.042,1119 25.371,1120 12.609,1121 2.84,1122 11.364,1123 22.322,1124 4.594,1125 13.911,1126 17.511,1128 27.783,1129 13.697,1130 2.61,1131 9.32,1132 24.206,1133 4.582,1134 15.098,1135 19.048,1136 0.019,1137 30.249,1138 14.87,1139 2.452,1140 8.477,1141 26.098,1142 3.624,1143 16.245,1144 20.535,1146 32.688,1147 16,1148 2.252,1149 7.471,1150 27.997,1151 3.534,1152 17.425,1153 22.062,1154 0.009,1155 35.15,1156 17.164,1157 2.229,1158 6.886,1159 29.901,1160 3.131,1161 18.592,1162 23.568,1164 37.602,1165 18.313,1166 35783,1167 52659,1168 33.808,1169 57.967,1170 73.441,1171 74.327,1172 75.248,1173 73.568,1174 73.196,1175 91.902,1176 2.96,1177 214.745,1178 70.379,1179 5.651,1180 5.508,1181 6.893,1182 5.345,1183 5.319,1184 7.594,1185 1.36,1186 19.51,1187 5.265,1188 16.608,1189 1.499,1190 1.517,1191 1.536,1192 1.501,1193 1.494,1194 1.876,1195 0.06,1196 4.383,1197 1.436,1198 4.158,1199 4.188,1200 4.156,1201 4.089,1202 5.055,1203 4.091,1204 4.098,1205 4.125,1206 4.11,1207 4.032,1208 5.021,1209 4.035,1210 3.874,1211 3.908,1212 3.867,1213 3.813,1214 4.698,1215 3.802,1216 3.768,1217 3.833,1218 3.778,1219 3.664,1220 4.684,1221 3.649,1222 3.736,1223 3.78,1224 3.622,1225 3.637,1226 4.431,1227 3.619,1228 3.571,1229 3.646,1230 3.569,1231 3.423,1232 4.281,1233 3.416,1234 3.462,1235 3.511,1236 3.428,1237 3.357,1238 4.221,1239 3.345,1240 3.337,1241 3.412,1242 3.336,1243 3.195,1244 4.152,1245 3.185,1246 0.096,1247 0.072,1248 0.143,1249 0.088,1250 0.068,1251 4.686,1252 0.094,1253 3.508,1254 0.014,1255 6.986,1256 0.244,1257 4.303,1258 0.067,1259 3.319,1260 4.594,1261 0.68,1262 11.934,1263 3.265,1264 2.098,1265 2.073,1266 2.188,1267 2.182,1268 1.536,1269 2.186,1270 2.07,1271 2.047,1272 2.149,1273 2.158,1274 1.437,1275 2.159,1276 1.881,1277 1.851,1278 2.033,1279 1.974,1280 1.386,1281 1.995,1282 1.778,1283 1.717,1284 1.993,1285 1.937,1286 1.199,1287 1.967,1288 1.75,1289 1.708,1290 1.926,1291 1.863,1292 1.158,1293 1.892,1294 1.567,1295 1.497,1296 1.827,1297 1.768,1298 1.114,1299 1.793,1300 1.463,1301 1.416,1302 1.691,1303 1.605,1304 0.918,1305 1.637,1306 1.321,1307 1.258,1308 1.574,1309 1.539,1310 0.822,1311 1.558,1312 4.595,1314 5.938,1316 7.487,1318 9.15,1320 10.877,1322 2.296,1323 12.683,1328 16.206,1329 7.711,1332 1.195,1340 53.277,1341 115.571,1342 287.172,1343 391.779,1344 458.534,1345 474.043,1346 482.043,1347 66.409,1348 9.705,1349 49.84,1350 49.84,1351 42,1352 13.245,1353 4.585,1354 3.7,1355 58.748,1356 279,1357 214,1358 0.1,1359 325.575,1360 563.92,1361 786.163,1362 356525,1363 2.4,1364 29.338,1365 0.682,1366 0.622,1367 30.338,1368 26.758,1369 21.03,1370 0.429,1371 0.35,1372 16.403,1373 20.154,1374 15.948,1375 13.141,1376 21.607,1377 17.169,1378 19.256,1379 0.275,1380 0.199,1381 20.072,1382 13.897,1383 16.306,1384 0.168,1385 0.106,1386 16.831,1387 10.257,1388 14.898,1389 0.106,1390 0.059,1391 15.367,1392 8.216,1393 12.963,1394 0.066,1395 0.032,1396 13.426,1397 6.333,1398 0.166,1399 134.256,1400 0.172,1401 38.78,1402 0.255,1403 238,1404 494.363,1405 276.588,1406 557.752,1407 775.79,1408 526,1409 286,1410 549.74,1411 314.177,1412 583.25,1413 866.42,1414 555,1415 8.396}
{0 CHEMBL2011493,1 1.36,2 16.581,3 10.439,4 108.973,5 182.71,6 7.22,7 0.449,8 4.518,9 4.645,10 4.074,11 4.146,12 5.425,13 4.081,14 5.125,15 5.309,16 4.481,17 4.607,18 5.973,19 4.508,20 5.469,21 5.707,22 4.595,23 4.792,24 6.262,25 4.662,26 5.511,27 5.765,28 4.57,29 4.771,30 6.298,31 4.635,32 5.49,33 5.736,34 4.487,35 4.78,36 6.239,37 4.631,38 5.554,39 5.815,40 4.484,41 4.806,42 6.259,43 4.624,44 5.569,45 5.845,46 4.365,47 4.766,48 6.247,49 4.554,50 5.476,51 5.76,52 4.242,53 4.644,54 6.153,55 4.414,56 0.079,57 1.182,58 18.715,59 8.311,60 9.893,61 11.691,62 0.178,63 2.07,64 37.182,65 15.402,66 23.695,67 21.771,68 0.366,69 2.788,70 58.779,71 21.478,72 42.874,73 30.499,74 0.551,75 2.919,76 60.947,77 21.448,78 52.915,79 30.936,80 0.424,81 2.882,82 56.666,83 20.998,84 40.642,85 30.273,86 0.431,87 2.908,88 63.108,89 24.403,90 43.2,91 34.724,92 0.448,93 2.836,94 70.372,95 25.344,96 46.778,97 35.54,98 0.464,99 2.482,100 69.507,101 23.888,102 47.558,103 33.048,104 10,105 70,106 0.203,107 0.505,108 0.689,109 0.807,110 0.834,111 0.848,112 3.787,113 1.051,114 -7.55,115 -7.32,116 -6.76,121 43.5,122 1,123 12,124 2,127 2,137 1,138 1,144 6,145 4,146 4,148 4,176 21,180 8,185 6,187 32,192 6,197 6,200 21,206 8,209 2,211 11,214 25,219 1,224 5,227 22,232 3,237 6,239 35,244 2,251 30,256 2,260 1,264 31,269 2,277 21,281 3751,282 29.67,283 29.67,284 29.67,285 29.67,286 29.67,287 26.785,288 31.608,289 17.687,290 30.166,291 24.322,292 24.322,293 24.322,294 24.322,295 24.322,296 19.75,297 33.857,298 8.559,299 25.236,300 5.05,301 3.031,302 1.8,303 1.015,304 0.832,305 0.738,306 4.515,308 2,313 1621,314 4.062,318 684.112,320 124.254,322 671.255,324 192.371,325 2.08,326 24.775,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.67,335 1,336 0.59,337 88.667,338 713,339 4.686,340 3.508,341 6.986,342 4.303,343 3.319,344 4.594,345 0.68,346 11.934,347 3.265,348 4.651,349 3.373,350 6.833,351 4.214,352 3.235,353 4.582,354 0.4,355 11.364,356 3.165,357 4.143,358 3.064,359 6.24,360 3.826,361 2.84,362 3.624,363 0.4,364 9.32,365 2.801,366 3.99,367 2.943,368 6.004,369 3.58,370 2.61,371 3.534,373 8.477,374 2.532,375 3.814,376 2.858,377 5.569,378 3.416,379 2.452,380 3.131,382 7.471,383 2.369,384 3.584,385 2.562,386 5.427,387 3.202,388 2.252,389 2.961,391 6.886,392 2.167,393 3.568,394 2.547,395 5.39,396 3.192,397 2.229,398 2.925,400 6.847,401 2.103,402 3.406,403 2.457,404 5.126,405 3.015,406 2.084,407 2.725,409 6.137,410 1.93,411 3.365,412 2.272,413 4.899,414 2.904,415 1.987,416 2.699,418 5.573,419 1.846,420 3.012,421 2.146,422 4.836,423 2.869,424 1.914,425 2.045,427 5.357,428 1.773,429 2.921,430 1.964,431 4.666,432 2.818,433 1.84,434 1.933,436 4.874,437 1.703,438 2.869,439 1.87,440 4.121,441 2.658,442 1.686,443 1.893,445 3.83,446 1.599,447 2.709,448 1.681,449 4.049,450 2.532,451 1.552,452 1.754,454 3.476,455 1.512,456 2.623,457 1.488,458 3.977,459 2.426,460 1.435,461 1.651,463 3.367,464 1.415,465 2.495,466 1.434,467 3.838,468 2.25,469 1.262,470 1.494,472 3.157,473 1.246,474 21.529,475 0.501,476 0.986,477 0.023,478 49,479 1.14,480 22,481 0.512,482 27,483 0.628,484 53.962,485 1.255,486 45.671,487 0.537,488 33.771,489 0.785,490 7.986,491 0.186,492 13.044,493 0.303,494 0.09,496 0.348,501 0.726,502 1.166,503 0.686,504 0.941,505 0.649,506 0.935,507 0.74,508 1.194,509 0.727,510 0.988,511 0.565,512 0.986,513 0.962,514 1.108,515 0.855,516 0.961,517 0.886,518 0.948,519 0.894,520 1.041,521 0.777,522 0.921,523 0.764,524 0.932,525 1.063,526 1.027,527 0.819,528 0.946,529 0.924,530 1.023,531 0.623,532 1.051,533 0.779,534 1.027,535 0.671,536 1.057,537 0.97,538 0.97,539 1.034,540 1.043,541 1.045,542 1.069,543 1.053,544 0.901,545 1.194,546 1.056,547 1.139,548 1.046,549 7.5,550 0.161,551 3.778,552 3.438,553 2.893,554 1.431,555 0.986,556 0.665,557 0.369,558 0.271,559 39979,560 85740,561 2.195,562 49.4,563 21,564 11,567 2,568 4,569 4,572 1.811,573 2.098,574 3.871,575 0.022,582 115.571,583 1.36,584 3.378,585 4.609,586 5.395,587 5.577,588 5.671,589 3.109,590 5.147,591 5.408,592 4.163,593 3758.81,594 9.524,595 74989.2,600 544.798,601 1.253,602 5.377,603 0.153,604 0.005,605 0.054,606 0.045,607 0.04,608 0.022,609 0.016,610 0.013,611 0.009,612 0.008,613 0.364,614 0.33,615 0.63,616 0.394,617 253.303,618 -0.007,619 -0.002,620 0.033,621 0.041,622 0.041,623 0.054,624 0.021,625 -0.1,626 0.038,627 -0.015,628 0.16,629 -0.002,630 -0.013,631 -0.067,632 0.019,633 0.002,634 0.023,635 0.025,636 0.103,637 0.014,638 0.042,639 0.012,640 0.118,641 0.021,642 -0.148,643 0.045,644 -0.066,645 -0.019,646 -0.138,647 -0.072,648 0.08,649 -0.067,650 0.02,651 -0.057,652 0.038,653 -0.068,654 -0.076,655 -0.021,656 -0.061,657 -0.051,658 -0.124,659 -0.073,660 -0.04,661 0.007,662 -0.061,663 -0.034,664 -0.077,665 -0.037,666 0.91,667 2.271,668 0.721,669 48.553,670 0.985,671 1.12,672 6.316,673 39.897,674 0.682,675 3.912,676 4.263,677 4.585,678 4.949,679 5.278,680 5.455,681 5.628,682 5.814,683 5.889,684 5.911,685 10.25,686 0.627,687 613.73,688 3.912,689 5.476,690 6.351,691 7.256,692 8.153,693 9.07,694 9.977,695 10.899,696 11.811,697 12.737,698 4.7,703 2,708 2,714 4,715 6,716 2,720 8,722 22,734 2,740 2,741 85,743 23,744 2,745 49,747 91,748 37,749 18,750 6,751 6,756 7,757 16,758 2,763 1,767 7,768 2,770 12,772 20,773 17,774 2,777 1,784 1,786 1,793 42,794 4,795 2,796 6,797 2,802 4,808 0.286,822 2,829 7,831 1,833 4,835 1,849 1,850 1,859 2,864 1,865 2,868 43,876 14,877 2,880 2,892 2,901 20.5,902 15.436,903 9.25,904 5.98,907 5.067,908 1.522,909 1.027,910 8.738,911 14.772,912 4.127,913 4.762,914 5.394,915 6.054,916 6.698,917 7.114,918 7.529,919 7.958,920 8.287,921 8.358,922 1,923 76,924 16.008,926 6.943,927 0.026,929 7.373,931 32.296,933 28.484,936 1.873,937 80.556,941 470.844,942 146.804,943 69.593,944 78.297,948 146.804,949 549.141,950 69.593,951 8.825,952 34.626,953 66.334,954 69.593,955 37.019,957 470.844,958 78.297,959 470.844,960 216.396,962 78.297,964 423.76,965 47.084,968 53.253,969 84.075,970 157.366,972 470.844,973 69.593,974 225.101,977 470.844,978 71.645,979 75.159,980 36.022,981 111.868,982 470.844,983 69.593,984 225.101,986 0.581,987 0.338,988 0.201,989 0.121,990 36,991 15,992 0.11,993 10,994 6,995 1.355,996 5.348,997 453.922,998 0.387,999 30,1000 231.329,1005 29.23,1006 12.854,1007 6.222,1008 4.463,1009 69.593,1010 12.335,1011 10.094,1015 9.56,1017 36.022,1018 765.538,1019 61,1026 2.481,1028 1.532,1031 83.727,1032 95.185,1034 0.212,1035 0.527,1036 0.719,1037 0.842,1038 0.87,1039 0.885,1040 5.396,1041 2.084,1042 6.337,1043 6.847,1044 4.949,1045 5.451,1046 0.942,1047 7.185,1048 4.882,1049 6.602,1050 1.987,1051 7.907,1052 6.137,1053 4.511,1054 5.366,1056 8.129,1057 4.385,1058 7.924,1059 1.914,1060 9.579,1061 5.573,1062 6.564,1063 7.715,1064 0.425,1065 11.303,1066 6.454,1067 9.283,1068 1.84,1069 11.315,1070 5.357,1071 6.957,1072 8.481,1074 13.12,1075 6.812,1076 10.678,1077 1.686,1078 13.093,1079 4.874,1080 8.473,1081 10.325,1082 0.194,1083 15.817,1084 8.332,1085 12.1,1086 1.552,1087 14.902,1088 3.83,1089 9.282,1090 11.492,1092 18.007,1093 9.118,1094 13.542,1095 1.435,1096 16.733,1097 3.476,1098 10.58,1099 13.138,1100 0.09,1101 20.543,1102 10.412,1103 3.319,1104 1.262,1105 18.583,1106 3.367,1107 11.591,1108 14.496,1110 22.889,1111 11.405,1112 3.235,1113 11.934,1114 20.447,1115 3.157,1116 12.807,1117 16.064,1118 0.042,1119 25.371,1120 12.609,1121 2.84,1122 11.364,1123 22.322,1124 4.594,1125 13.911,1126 17.511,1128 27.783,1129 13.697,1130 2.61,1131 9.32,1132 24.206,1133 4.582,1134 15.098,1135 19.048,1136 0.019,1137 30.249,1138 14.87,1139 2.452,1140 8.477,1141 26.098,1142 3.624,1143 16.245,1144 20.535,1146 32.688,1147 16,1148 2.252,1149 7.471,1150 27.997,1151 3.534,1152 17.425,1153 22.062,1154 0.009,1155 35.15,1156 17.164,1157 2.229,1158 6.886,1159 29.901,1160 3.131,1161 18.592,1162 23.568,1164 37.602,1165 18.313,1166 35783,1167 52659,1168 33.808,1169 57.967,1170 73.441,1171 74.327,1172 75.248,1173 73.568,1174 73.196,1175 91.902,1176 2.96,1177 214.745,1178 70.379,1179 5.651,1180 5.508,1181 6.893,1182 5.345,1183 5.319,1184 7.594,1185 1.36,1186 19.51,1187 5.265,1188 16.608,1189 1.499,1190 1.517,1191 1.536,1192 1.501,1193 1.494,1194 1.876,1195 0.06,1196 4.383,1197 1.436,1198 4.158,1199 4.188,1200 4.156,1201 4.089,1202 5.055,1203 4.091,1204 4.098,1205 4.125,1206 4.11,1207 4.032,1208 5.021,1209 4.035,1210 3.874,1211 3.908,1212 3.867,1213 3.813,1214 4.698,1215 3.802,1216 3.768,1217 3.833,1218 3.778,1219 3.664,1220 4.684,1221 3.649,1222 3.736,1223 3.78,1224 3.622,1225 3.637,1226 4.431,1227 3.619,1228 3.571,1229 3.646,1230 3.569,1231 3.423,1232 4.281,1233 3.416,1234 3.462,1235 3.511,1236 3.428,1237 3.357,1238 4.221,1239 3.345,1240 3.337,1241 3.412,1242 3.336,1243 3.195,1244 4.152,1245 3.185,1246 0.096,1247 0.072,1248 0.143,1249 0.088,1250 0.068,1251 4.686,1252 0.094,1253 3.508,1254 0.014,1255 6.986,1256 0.244,1257 4.303,1258 0.067,1259 3.319,1260 4.594,1261 0.68,1262 11.934,1263 3.265,1264 2.098,1265 2.073,1266 2.188,1267 2.182,1268 1.536,1269 2.186,1270 2.07,1271 2.047,1272 2.149,1273 2.158,1274 1.437,1275 2.159,1276 1.881,1277 1.851,1278 2.033,1279 1.974,1280 1.386,1281 1.995,1282 1.778,1283 1.717,1284 1.993,1285 1.937,1286 1.199,1287 1.967,1288 1.75,1289 1.708,1290 1.926,1291 1.863,1292 1.158,1293 1.892,1294 1.567,1295 1.497,1296 1.827,1297 1.768,1298 1.114,1299 1.793,1300 1.463,1301 1.416,1302 1.691,1303 1.605,1304 0.918,1305 1.637,1306 1.321,1307 1.258,1308 1.574,1309 1.539,1310 0.822,1311 1.558,1312 4.595,1314 5.938,1316 7.487,1318 9.15,1320 10.877,1322 2.296,1323 12.683,1328 16.206,1329 7.711,1332 1.195,1340 53.277,1341 115.571,1342 287.172,1343 391.779,1344 458.534,1345 474.043,1346 482.043,1347 66.409,1348 9.705,1349 49.84,1350 49.84,1351 42,1352 13.245,1353 4.585,1354 3.7,1355 58.748,1356 279,1357 214,1358 0.1,1359 325.575,1360 563.92,1361 786.163,1362 356525,1363 2.4,1364 29.338,1365 0.682,1366 0.622,1367 30.338,1368 26.758,1369 21.03,1370 0.429,1371 0.35,1372 16.403,1373 20.154,1374 15.948,1375 13.141,1376 21.607,1377 17.169,1378 19.256,1379 0.275,1380 0.199,1381 20.072,1382 13.897,1383 16.306,1384 0.168,1385 0.106,1386 16.831,1387 10.257,1388 14.898,1389 0.106,1390 0.059,1391 15.367,1392 8.216,1393 12.963,1394 0.066,1395 0.032,1396 13.426,1397 6.333,1398 0.166,1399 134.256,1400 0.172,1401 38.78,1402 0.255,1403 238,1404 494.363,1405 276.588,1406 557.752,1407 775.79,1408 526,1409 286,1410 549.74,1411 314.177,1412 583.25,1413 866.42,1414 555,1415 8.69}
{0 CHEMBL2011494,1 1.36,2 16.581,3 10.439,4 108.973,5 182.71,6 7.22,7 0.449,8 4.518,9 4.645,10 4.074,11 4.146,12 5.425,13 4.081,14 5.125,15 5.309,16 4.481,17 4.607,18 5.973,19 4.508,20 5.469,21 5.707,22 4.595,23 4.792,24 6.262,25 4.662,26 5.511,27 5.765,28 4.57,29 4.771,30 6.298,31 4.635,32 5.49,33 5.736,34 4.487,35 4.78,36 6.239,37 4.631,38 5.554,39 5.815,40 4.484,41 4.806,42 6.259,43 4.624,44 5.569,45 5.845,46 4.365,47 4.766,48 6.247,49 4.554,50 5.476,51 5.76,52 4.242,53 4.644,54 6.153,55 4.414,56 0.079,57 1.182,58 18.715,59 8.311,60 9.893,61 11.691,62 0.178,63 2.07,64 37.182,65 15.402,66 23.695,67 21.771,68 0.366,69 2.788,70 58.779,71 21.478,72 42.874,73 30.499,74 0.551,75 2.919,76 60.947,77 21.448,78 52.915,79 30.936,80 0.424,81 2.882,82 56.666,83 20.998,84 40.642,85 30.273,86 0.431,87 2.908,88 63.108,89 24.403,90 43.2,91 34.724,92 0.448,93 2.836,94 70.372,95 25.344,96 46.778,97 35.54,98 0.464,99 2.482,100 69.507,101 23.888,102 47.558,103 33.048,104 10,105 70,106 0.203,107 0.505,108 0.689,109 0.807,110 0.834,111 0.848,112 3.787,113 1.051,114 -7.55,115 -7.32,116 -6.76,121 43.5,122 1,123 12,124 2,127 2,137 1,138 1,144 6,145 4,146 4,148 4,176 21,180 8,185 6,187 32,192 6,197 6,200 21,206 8,209 2,211 11,214 25,219 1,224 5,227 22,232 3,237 6,239 35,244 2,251 30,256 2,260 1,264 31,269 2,277 21,281 3751,282 29.67,283 29.67,284 29.67,285 29.67,286 29.67,287 26.785,288 31.608,289 17.687,290 30.166,291 24.322,292 24.322,293 24.322,294 24.322,295 24.322,296 19.75,297 33.857,298 8.559,299 25.236,300 5.05,301 3.031,302 1.8,303 1.015,304 0.832,305 0.738,306 4.515,308 2,313 1621,314 4.062,318 684.112,320 124.254,322 671.255,324 192.371,325 2.08,326 24.775,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.67,335 1,336 0.59,337 88.667,338 713,339 4.686,340 3.508,341 6.986,342 4.303,343 3.319,344 4.594,345 0.68,346 11.934,347 3.265,348 4.651,349 3.373,350 6.833,351 4.214,352 3.235,353 4.582,354 0.4,355 11.364,356 3.165,357 4.143,358 3.064,359 6.24,360 3.826,361 2.84,362 3.624,363 0.4,364 9.32,365 2.801,366 3.99,367 2.943,368 6.004,369 3.58,370 2.61,371 3.534,373 8.477,374 2.532,375 3.814,376 2.858,377 5.569,378 3.416,379 2.452,380 3.131,382 7.471,383 2.369,384 3.584,385 2.562,386 5.427,387 3.202,388 2.252,389 2.961,391 6.886,392 2.167,393 3.568,394 2.547,395 5.39,396 3.192,397 2.229,398 2.925,400 6.847,401 2.103,402 3.406,403 2.457,404 5.126,405 3.015,406 2.084,407 2.725,409 6.137,410 1.93,411 3.365,412 2.272,413 4.899,414 2.904,415 1.987,416 2.699,418 5.573,419 1.846,420 3.012,421 2.146,422 4.836,423 2.869,424 1.914,425 2.045,427 5.357,428 1.773,429 2.921,430 1.964,431 4.666,432 2.818,433 1.84,434 1.933,436 4.874,437 1.703,438 2.869,439 1.87,440 4.121,441 2.658,442 1.686,443 1.893,445 3.83,446 1.599,447 2.709,448 1.681,449 4.049,450 2.532,451 1.552,452 1.754,454 3.476,455 1.512,456 2.623,457 1.488,458 3.977,459 2.426,460 1.435,461 1.651,463 3.367,464 1.415,465 2.495,466 1.434,467 3.838,468 2.25,469 1.262,470 1.494,472 3.157,473 1.246,474 21.529,475 0.501,476 0.986,477 0.023,478 49,479 1.14,480 22,481 0.512,482 27,483 0.628,484 53.962,485 1.255,486 45.671,487 0.537,488 33.771,489 0.785,490 7.986,491 0.186,492 13.044,493 0.303,494 0.09,496 0.348,501 0.726,502 1.166,503 0.686,504 0.941,505 0.649,506 0.935,507 0.74,508 1.194,509 0.727,510 0.988,511 0.565,512 0.986,513 0.962,514 1.108,515 0.855,516 0.961,517 0.886,518 0.948,519 0.894,520 1.041,521 0.777,522 0.921,523 0.764,524 0.932,525 1.063,526 1.027,527 0.819,528 0.946,529 0.924,530 1.023,531 0.623,532 1.051,533 0.779,534 1.027,535 0.671,536 1.057,537 0.97,538 0.97,539 1.034,540 1.043,541 1.045,542 1.069,543 1.053,544 0.901,545 1.194,546 1.056,547 1.139,548 1.046,549 7.5,550 0.161,551 3.778,552 3.438,553 2.893,554 1.431,555 0.986,556 0.665,557 0.369,558 0.271,559 39979,560 85740,561 2.195,562 49.4,563 21,564 11,567 2,568 4,569 4,572 1.811,573 2.098,574 3.871,575 0.022,582 115.571,583 1.36,584 3.378,585 4.609,586 5.395,587 5.577,588 5.671,589 3.109,590 5.147,591 5.408,592 4.163,593 3758.81,594 9.524,595 74989.2,600 544.798,601 1.253,602 5.377,603 0.153,604 0.005,605 0.054,606 0.045,607 0.04,608 0.022,609 0.016,610 0.013,611 0.009,612 0.008,613 0.364,614 0.33,615 0.63,616 0.394,617 253.303,618 -0.007,619 -0.002,620 0.033,621 0.041,622 0.041,623 0.054,624 0.021,625 -0.1,626 0.038,627 -0.015,628 0.16,629 -0.002,630 -0.013,631 -0.067,632 0.019,633 0.002,634 0.023,635 0.025,636 0.103,637 0.014,638 0.042,639 0.012,640 0.118,641 0.021,642 -0.148,643 0.045,644 -0.066,645 -0.019,646 -0.138,647 -0.072,648 0.08,649 -0.067,650 0.02,651 -0.057,652 0.038,653 -0.068,654 -0.076,655 -0.021,656 -0.061,657 -0.051,658 -0.124,659 -0.073,660 -0.04,661 0.007,662 -0.061,663 -0.034,664 -0.077,665 -0.037,666 0.91,667 2.271,668 0.721,669 48.553,670 0.985,671 1.12,672 6.316,673 39.897,674 0.682,675 3.912,676 4.263,677 4.585,678 4.949,679 5.278,680 5.455,681 5.628,682 5.814,683 5.889,684 5.911,685 10.25,686 0.627,687 613.73,688 3.912,689 5.476,690 6.351,691 7.256,692 8.153,693 9.07,694 9.977,695 10.899,696 11.811,697 12.737,698 4.7,703 2,708 2,714 4,715 6,716 2,720 8,722 22,734 2,740 2,741 85,743 23,744 2,745 49,747 91,748 37,749 18,750 6,751 6,756 7,757 16,758 2,763 1,767 7,768 2,770 12,772 20,773 17,774 2,777 1,784 1,786 1,793 42,794 4,795 2,796 6,797 2,802 4,808 0.286,822 2,829 7,831 1,833 4,835 1,849 1,850 1,859 2,864 1,865 2,868 43,876 14,877 2,880 2,892 2,901 20.5,902 15.436,903 9.25,904 5.98,907 5.067,908 1.522,909 1.027,910 8.738,911 14.772,912 4.127,913 4.762,914 5.394,915 6.054,916 6.698,917 7.114,918 7.529,919 7.958,920 8.287,921 8.358,922 1,923 76,924 16.008,926 6.943,927 0.026,929 7.373,931 32.296,933 28.484,936 1.873,937 80.556,941 470.844,942 146.804,943 69.593,944 78.297,948 146.804,949 549.141,950 69.593,951 8.825,952 34.626,953 66.334,954 69.593,955 37.019,957 470.844,958 78.297,959 470.844,960 216.396,962 78.297,964 423.76,965 47.084,968 53.253,969 84.075,970 157.366,972 470.844,973 69.593,974 225.101,977 470.844,978 71.645,979 75.159,980 36.022,981 111.868,982 470.844,983 69.593,984 225.101,986 0.581,987 0.338,988 0.201,989 0.121,990 36,991 15,992 0.11,993 10,994 6,995 1.355,996 5.348,997 453.922,998 0.387,999 30,1000 231.329,1005 29.23,1006 12.854,1007 6.222,1008 4.463,1009 69.593,1010 12.335,1011 10.094,1015 9.56,1017 36.022,1018 765.538,1019 61,1026 2.481,1028 1.532,1031 83.727,1032 95.185,1034 0.212,1035 0.527,1036 0.719,1037 0.842,1038 0.87,1039 0.885,1040 5.396,1041 2.084,1042 6.337,1043 6.847,1044 4.949,1045 5.451,1046 0.942,1047 7.185,1048 4.882,1049 6.602,1050 1.987,1051 7.907,1052 6.137,1053 4.511,1054 5.366,1056 8.129,1057 4.385,1058 7.924,1059 1.914,1060 9.579,1061 5.573,1062 6.564,1063 7.715,1064 0.425,1065 11.303,1066 6.454,1067 9.283,1068 1.84,1069 11.315,1070 5.357,1071 6.957,1072 8.481,1074 13.12,1075 6.812,1076 10.678,1077 1.686,1078 13.093,1079 4.874,1080 8.473,1081 10.325,1082 0.194,1083 15.817,1084 8.332,1085 12.1,1086 1.552,1087 14.902,1088 3.83,1089 9.282,1090 11.492,1092 18.007,1093 9.118,1094 13.542,1095 1.435,1096 16.733,1097 3.476,1098 10.58,1099 13.138,1100 0.09,1101 20.543,1102 10.412,1103 3.319,1104 1.262,1105 18.583,1106 3.367,1107 11.591,1108 14.496,1110 22.889,1111 11.405,1112 3.235,1113 11.934,1114 20.447,1115 3.157,1116 12.807,1117 16.064,1118 0.042,1119 25.371,1120 12.609,1121 2.84,1122 11.364,1123 22.322,1124 4.594,1125 13.911,1126 17.511,1128 27.783,1129 13.697,1130 2.61,1131 9.32,1132 24.206,1133 4.582,1134 15.098,1135 19.048,1136 0.019,1137 30.249,1138 14.87,1139 2.452,1140 8.477,1141 26.098,1142 3.624,1143 16.245,1144 20.535,1146 32.688,1147 16,1148 2.252,1149 7.471,1150 27.997,1151 3.534,1152 17.425,1153 22.062,1154 0.009,1155 35.15,1156 17.164,1157 2.229,1158 6.886,1159 29.901,1160 3.131,1161 18.592,1162 23.568,1164 37.602,1165 18.313,1166 35783,1167 52659,1168 33.808,1169 57.967,1170 73.441,1171 74.327,1172 75.248,1173 73.568,1174 73.196,1175 91.902,1176 2.96,1177 214.745,1178 70.379,1179 5.651,1180 5.508,1181 6.893,1182 5.345,1183 5.319,1184 7.594,1185 1.36,1186 19.51,1187 5.265,1188 16.608,1189 1.499,1190 1.517,1191 1.536,1192 1.501,1193 1.494,1194 1.876,1195 0.06,1196 4.383,1197 1.436,1198 4.158,1199 4.188,1200 4.156,1201 4.089,1202 5.055,1203 4.091,1204 4.098,1205 4.125,1206 4.11,1207 4.032,1208 5.021,1209 4.035,1210 3.874,1211 3.908,1212 3.867,1213 3.813,1214 4.698,1215 3.802,1216 3.768,1217 3.833,1218 3.778,1219 3.664,1220 4.684,1221 3.649,1222 3.736,1223 3.78,1224 3.622,1225 3.637,1226 4.431,1227 3.619,1228 3.571,1229 3.646,1230 3.569,1231 3.423,1232 4.281,1233 3.416,1234 3.462,1235 3.511,1236 3.428,1237 3.357,1238 4.221,1239 3.345,1240 3.337,1241 3.412,1242 3.336,1243 3.195,1244 4.152,1245 3.185,1246 0.096,1247 0.072,1248 0.143,1249 0.088,1250 0.068,1251 4.686,1252 0.094,1253 3.508,1254 0.014,1255 6.986,1256 0.244,1257 4.303,1258 0.067,1259 3.319,1260 4.594,1261 0.68,1262 11.934,1263 3.265,1264 2.098,1265 2.073,1266 2.188,1267 2.182,1268 1.536,1269 2.186,1270 2.07,1271 2.047,1272 2.149,1273 2.158,1274 1.437,1275 2.159,1276 1.881,1277 1.851,1278 2.033,1279 1.974,1280 1.386,1281 1.995,1282 1.778,1283 1.717,1284 1.993,1285 1.937,1286 1.199,1287 1.967,1288 1.75,1289 1.708,1290 1.926,1291 1.863,1292 1.158,1293 1.892,1294 1.567,1295 1.497,1296 1.827,1297 1.768,1298 1.114,1299 1.793,1300 1.463,1301 1.416,1302 1.691,1303 1.605,1304 0.918,1305 1.637,1306 1.321,1307 1.258,1308 1.574,1309 1.539,1310 0.822,1311 1.558,1312 4.595,1314 5.938,1316 7.487,1318 9.15,1320 10.877,1322 2.296,1323 12.683,1328 16.206,1329 7.711,1332 1.195,1340 53.277,1341 115.571,1342 287.172,1343 391.779,1344 458.534,1345 474.043,1346 482.043,1347 66.409,1348 9.705,1349 49.84,1350 49.84,1351 42,1352 13.245,1353 4.585,1354 3.7,1355 58.748,1356 279,1357 214,1358 0.1,1359 325.575,1360 563.92,1361 786.163,1362 356525,1363 2.4,1364 29.338,1365 0.682,1366 0.622,1367 30.338,1368 26.758,1369 21.03,1370 0.429,1371 0.35,1372 16.403,1373 20.154,1374 15.948,1375 13.141,1376 21.607,1377 17.169,1378 19.256,1379 0.275,1380 0.199,1381 20.072,1382 13.897,1383 16.306,1384 0.168,1385 0.106,1386 16.831,1387 10.257,1388 14.898,1389 0.106,1390 0.059,1391 15.367,1392 8.216,1393 12.963,1394 0.066,1395 0.032,1396 13.426,1397 6.333,1398 0.166,1399 134.256,1400 0.172,1401 38.78,1402 0.255,1403 238,1404 494.363,1405 276.588,1406 557.752,1407 775.79,1408 526,1409 286,1410 549.74,1411 314.177,1412 583.25,1413 866.42,1414 555,1415 7.939}
{0 CHEMBL2011495,1 1.389,2 16.455,3 8.692,4 75.542,5 187.148,6 7.227,7 0.44,8 4.544,9 4.674,10 4.101,11 4.15,12 5.461,13 4.09,14 5.15,15 5.342,16 4.507,17 4.609,18 6.002,19 4.519,20 5.476,21 5.705,22 4.623,23 4.807,24 6.286,25 4.683,26 5.559,27 5.817,28 4.601,29 4.803,30 6.343,31 4.666,32 5.536,33 5.785,34 4.522,35 4.81,36 6.284,37 4.66,38 5.608,39 5.878,40 4.519,41 4.825,42 6.315,43 4.646,44 5.602,45 5.881,46 4.429,47 4.776,48 6.29,49 4.574,50 5.504,51 5.786,52 4.372,53 4.662,54 6.221,55 4.462,56 0.08,57 1.247,58 19.251,59 8.345,60 10.658,61 11.788,62 0.228,63 2.161,64 38.533,65 15.039,66 25.371,67 21.484,68 0.382,69 2.843,70 58.654,71 21.037,72 43.213,73 30.066,74 0.644,75 3.051,76 64.096,77 22.169,78 56.712,79 32.163,80 0.429,81 3.001,82 59.368,83 21.931,84 42.491,85 31.759,86 0.499,87 3.061,88 67.169,89 24.819,90 48.385,91 35.701,92 0.481,93 2.928,94 72.743,95 25.312,96 49.636,97 35.852,98 0.579,99 2.607,100 71.188,101 23.015,102 52.188,103 32.252,104 17,105 72,106 0.207,107 0.518,108 0.72,109 0.817,110 0.834,111 0.847,112 3.81,113 1.035,114 -6.76,115 -6.57,116 -6.09,121 42.5,122 1,123 9,124 2,126 1,127 4,137 1,138 1,144 6,145 4,146 4,148 4,176 17,180 10,185 6,187 29,192 6,197 4,200 19,206 8,209 4,211 9,214 25,219 1,224 3,227 18,232 7,237 6,239 27,244 4,251 13,255 2,256 9,260 1,264 15,269 3,277 5,281 3992,282 30.118,283 30.118,284 30.118,285 30.118,286 30.118,287 27.233,288 38.124,289 17.746,290 30.729,291 24.789,292 24.789,293 24.789,294 24.789,295 24.789,296 20.216,297 46.142,298 8.545,299 25.878,300 5.054,301 2.963,302 1.612,303 0.96,304 0.845,305 0.753,306 4.535,308 2,313 1642,314 4.301,318 704.986,320 127.94,322 692.641,324 198.49,325 2.194,326 26.135,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.67,335 1,336 0.59,337 91.167,338 724,339 4.686,340 3.508,341 6.986,342 4.303,343 3.319,344 4.594,345 0.8,346 11.934,347 3.265,348 4.651,349 3.373,350 6.833,351 4.214,352 3.235,353 4.582,354 0.68,355 11.364,356 3.165,357 4.143,358 3.064,359 6.24,360 3.826,361 2.84,362 3.624,363 0.4,364 9.32,365 2.801,366 3.99,367 2.943,368 6.004,369 3.58,370 2.61,371 3.534,372 0.4,373 8.477,374 2.532,375 3.814,376 2.858,377 5.569,378 3.417,379 2.453,380 3.131,382 7.471,383 2.37,384 3.584,385 2.711,386 5.427,387 3.307,388 2.382,389 2.961,391 6.886,392 2.205,393 3.568,394 2.56,395 5.39,396 3.199,397 2.246,398 2.926,400 6.847,401 2.162,402 3.408,403 2.546,404 5.126,405 3.182,406 2.225,407 2.725,409 6.141,410 2.091,411 3.382,412 2.457,413 5.035,414 3.012,415 2.083,416 2.699,418 6.088,419 1.906,420 3.358,421 2.267,422 4.899,423 2.879,424 1.979,425 2.379,427 5.573,428 1.773,429 3.011,430 2.135,431 4.836,432 2.838,433 1.878,434 2.045,436 5.356,437 1.704,438 2.889,439 1.934,440 4.666,441 2.664,442 1.694,443 1.914,445 4.873,446 1.6,447 2.712,448 1.742,449 4.121,450 2.535,451 1.561,452 1.76,454 3.501,455 1.513,456 2.655,457 1.548,458 4.041,459 2.431,460 1.446,461 1.689,463 3.394,464 1.418,465 2.51,466 1.435,467 3.943,468 2.347,469 1.379,470 1.511,472 3.296,473 1.33,474 21.929,475 0.498,476 1.092,477 0.025,478 50.25,479 1.142,480 22,481 0.5,482 28.25,483 0.642,484 55.101,485 1.252,486 47.071,487 0.541,488 36.903,489 0.839,490 8.608,491 0.196,492 12.816,493 0.291,494 0.111,496 0.36,501 0.761,502 1.262,503 0.688,504 0.978,505 0.676,506 0.953,507 0.907,508 1.127,509 0.729,510 0.912,511 0.599,512 0.924,513 1.016,514 1.144,515 0.897,516 1,517 0.931,518 0.992,519 0.863,520 0.972,521 0.779,522 0.904,523 0.76,524 0.927,525 0.968,526 1.076,527 0.809,528 0.984,529 0.874,530 1.046,531 0.703,532 1.03,533 0.77,534 0.991,535 0.702,536 1.023,537 0.962,538 1.02,539 1.001,540 1.032,541 1.014,542 1.041,543 1.14,544 0.915,545 1.171,546 1.007,547 1.119,548 0.992,549 8.5,550 0.276,551 4.222,552 3.688,553 3.053,554 1.431,555 0.986,556 0.759,557 0.633,558 0.351,559 41360,560 89763,561 2.176,562 49.4,563 15,564 18,567 2,568 4,570 4,572 1.818,573 2.063,574 3.873,575 0.036,582 120.847,583 1.389,584 3.48,585 4.831,586 5.483,587 5.598,588 5.69,589 3.132,590 5.187,591 5.441,592 4.168,593 3942.88,594 9.598,595 78702,600 560.536,601 1.322,602 5.403,603 0.17,604 0.007,605 0.059,606 0.047,607 0.041,608 0.021,609 0.016,610 0.014,611 0.012,612 0.007,613 0.395,614 0.33,615 0.63,616 0.439,617 259.947,618 -0.001,619 -0.069,620 0.037,621 0.014,622 0.026,623 0.039,624 -0.036,625 -0.003,626 0.047,627 0.055,628 0.14,629 0.052,630 -0.053,631 -0.085,632 -0.021,633 -0.033,634 -0.015,635 -0.018,636 0.117,637 0.076,638 0.04,639 0.031,640 0.112,641 0.029,642 -0.111,643 -0.021,644 -0.057,645 -0.046,646 -0.107,647 -0.084,648 0.06,649 -0.046,650 0.033,651 -0.028,652 0.032,653 -0.04,654 -0.042,655 -0.072,656 -0.027,657 -0.046,658 -0.093,659 -0.049,660 0.004,661 0.024,662 -0.032,663 -0.006,664 -0.04,665 -0.001,666 0.917,667 2.282,668 0.705,669 50.421,670 0.987,671 1.123,672 5.529,673 30.567,674 0.678,675 3.932,676 4.29,677 4.605,678 4.963,679 5.288,680 5.464,681 5.642,682 5.838,683 5.924,684 5.945,685 10.159,686 0.624,687 628.75,688 3.932,689 5.501,690 6.375,691 7.281,692 8.176,693 9.092,694 9.997,695 10.918,696 11.829,697 12.753,698 5.7,701 1,703 2,708 2,714 4,715 6,716 2,720 8,722 22,734 2,740 2,741 87,743 23,744 2,745 50,747 93,748 37,749 18,750 6,751 6,756 7,757 16,758 2,763 1,767 7,768 2,770 9,772 20,773 17,774 2,777 1,784 1,786 1,793 43,794 5,795 2,796 7,797 2,802 5,808 0.286,822 2,829 7,831 1,833 4,835 1,849 1,850 1,855 1,859 2,864 2,865 2,868 44,876 13,877 2,880 2,881 1,892 2,901 21.333,902 16.136,903 9.417,904 5.88,907 5.054,908 1.52,909 1.022,910 8.947,911 14.774,912 4.143,913 4.779,914 5.403,915 6.059,916 6.701,917 7.116,918 7.532,919 7.963,920 8.296,921 8.37,922 1,923 78,924 16.365,926 7.071,927 0.026,929 7.388,931 32.893,933 28.806,936 1.888,937 83.056,941 482.615,942 151.808,943 72.717,944 78.297,948 151.808,949 560.912,950 72.717,951 17.222,952 31.234,953 66.334,954 69.593,955 40.143,957 482.615,958 78.297,959 482.615,960 224.525,962 78.297,964 435.531,965 47.084,968 52.985,969 92.471,970 157.366,972 482.615,973 72.717,974 230.105,977 482.615,978 68.253,979 86.68,980 36.022,981 111.868,982 482.615,983 72.717,984 230.105,986 0.585,987 0.34,988 0.198,989 0.118,990 37,991 16,992 0.108,993 10,994 6,995 1.355,996 5.367,997 470.868,998 0.387,999 30,1000 236.215,1005 30.139,1006 13.062,1007 6.439,1008 4.408,1009 72.717,1010 12.294,1011 10.101,1015 9.449,1017 36.022,1018 785.437,1019 62,1026 2.477,1028 1.525,1031 85.828,1032 97.684,1034 0.216,1035 0.54,1036 0.75,1037 0.851,1038 0.869,1039 0.883,1040 5.418,1041 2.225,1042 6.368,1043 6.847,1044 4.977,1045 5.468,1046 1.26,1047 7.216,1048 4.9,1049 6.627,1050 2.083,1051 7.941,1052 6.141,1053 4.575,1054 5.394,1055 0.325,1056 8.16,1057 4.438,1058 7.95,1059 1.979,1060 9.613,1061 6.088,1062 6.597,1063 7.726,1064 0.689,1065 11.323,1066 6.472,1067 9.308,1068 1.878,1069 11.347,1070 5.573,1071 7.004,1072 8.491,1073 0.268,1074 13.132,1075 6.845,1076 10.701,1077 1.694,1078 13.121,1079 5.356,1080 8.504,1081 10.33,1082 0.395,1083 15.825,1084 8.347,1085 12.119,1086 1.561,1087 14.926,1088 4.873,1089 9.312,1090 11.495,1091 0.188,1092 18.011,1093 9.137,1094 13.559,1095 1.446,1096 16.754,1097 3.501,1098 10.603,1099 13.14,1100 0.234,1101 20.545,1102 10.422,1103 3.319,1104 1.379,1105 18.599,1106 3.394,1107 11.611,1108 14.497,1109 0.125,1110 22.89,1111 11.415,1112 3.235,1113 11.934,1114 20.46,1115 3.296,1116 12.821,1117 16.065,1118 0.14,1119 25.372,1120 12.616,1121 2.84,1122 11.364,1123 22.332,1124 4.594,1125 13.923,1126 17.511,1127 0.082,1128 27.783,1129 13.702,1130 2.61,1131 9.32,1132 24.214,1133 4.582,1134 15.107,1135 19.048,1136 0.085,1137 30.249,1138 14.874,1139 2.453,1140 8.477,1141 26.104,1142 3.624,1143 16.252,1144 20.536,1145 0.054,1146 32.688,1147 16.002,1148 2.382,1149 7.471,1150 28.002,1151 3.534,1152 17.43,1153 22.062,1154 0.052,1155 35.15,1156 17.166,1157 2.246,1158 6.886,1159 29.905,1160 3.131,1161 18.595,1162 23.568,1163 0.035,1164 37.602,1165 18.315,1166 37139,1167 54964,1168 34.213,1169 58.972,1170 75.31,1171 76.105,1172 77.332,1173 75.381,1174 75.012,1175 93.723,1176 4.56,1177 221.386,1178 71.751,1179 5.651,1180 5.508,1181 6.686,1182 5.347,1183 5.319,1184 7.594,1185 1.48,1186 19.51,1187 5.265,1188 19.128,1189 1.506,1190 1.522,1191 1.547,1192 1.508,1193 1.5,1194 1.874,1195 0.091,1196 4.428,1197 1.435,1198 4.158,1199 4.188,1200 4.156,1201 4.088,1202 5.056,1203 4.09,1204 4.098,1205 4.125,1206 4.11,1207 4.032,1208 5.021,1209 4.035,1210 3.874,1211 3.908,1212 3.867,1213 3.813,1214 4.698,1215 3.802,1216 3.766,1217 3.843,1218 3.778,1219 3.662,1220 4.684,1221 3.647,1222 3.735,1223 3.78,1224 3.633,1225 3.581,1226 4.431,1227 3.58,1228 3.571,1229 3.646,1230 3.578,1231 3.423,1232 4.346,1233 3.415,1234 3.464,1235 3.515,1236 3.429,1237 3.356,1238 4.221,1239 3.345,1240 3.358,1241 3.442,1242 3.336,1243 3.192,1244 4.162,1245 3.185,1246 0.094,1247 0.07,1248 0.14,1249 0.086,1250 0.066,1251 4.686,1252 0.092,1253 3.508,1254 0.016,1255 6.986,1256 0.239,1257 4.303,1258 0.065,1259 3.319,1260 4.594,1261 0.8,1262 11.934,1263 3.265,1264 2.097,1265 2.073,1266 2.188,1267 2.182,1268 1.536,1269 2.186,1270 2.07,1271 2.047,1272 2.148,1273 2.158,1274 1.435,1275 2.158,1276 1.881,1277 1.851,1278 2.005,1279 1.975,1280 1.291,1281 1.992,1282 1.75,1283 1.71,1284 1.967,1285 1.944,1286 1.197,1287 1.957,1288 1.734,1289 1.66,1290 1.925,1291 1.863,1292 1.154,1293 1.892,1294 1.567,1295 1.497,1296 1.827,1297 1.768,1298 1.114,1299 1.793,1300 1.462,1301 1.415,1302 1.691,1303 1.612,1304 0.918,1305 1.639,1306 1.329,1307 1.257,1308 1.617,1309 1.577,1310 0.785,1311 1.598,1312 4.615,1314 5.964,1316 7.515,1318 9.175,1320 10.898,1322 4.536,1323 12.704,1328 14.233,1329 7.699,1332 1.168,1333 2.461,1340 54.298,1341 120.847,1342 302.791,1343 420.297,1344 477.026,1345 487.026,1346 495.026,1347 68.374,1348 9.72,1349 53.08,1350 53.08,1351 42,1352 13.262,1353 4.585,1354 3.7,1355 60.677,1356 282,1357 222,1358 0.103,1359 332.369,1360 574.92,1361 802.741,1362 359864,1363 2.3,1364 30.208,1365 0.687,1366 0.625,1367 31.208,1368 27.498,1369 21.424,1370 0.428,1371 0.345,1372 16.447,1373 20.434,1374 15.936,1375 13.127,1376 22.001,1377 17.249,1378 19.877,1379 0.276,1380 0.196,1381 20.694,1382 14.14,1383 16.7,1384 0.169,1385 0.104,1386 17.225,1387 10.336,1388 15.144,1389 0.107,1390 0.058,1391 15.613,1392 8.246,1393 13.122,1394 0.067,1395 0.032,1396 13.586,1397 6.288,1398 0.168,1399 137.316,1400 0.171,1401 39.349,1402 0.263,1403 244,1404 520.008,1405 284.336,1406 581.377,1407 805.59,1408 548,1409 293,1410 568.5,1411 323.341,1412 603.694,1413 894.29,1414 572,1415 9.509}
{0 CHEMBL2011496,1 1.35,2 17.432,3 10.895,4 118.705,5 187.311,6 7.134,7 0.44,8 4.549,9 4.677,10 4.094,11 4.174,12 5.447,13 4.106,14 5.158,15 5.344,16 4.496,17 4.633,18 5.996,19 4.531,20 5.504,21 5.745,22 4.608,23 4.818,24 6.285,25 4.683,26 5.544,27 5.8,28 4.584,29 4.797,30 6.32,31 4.657,32 5.524,33 5.773,34 4.502,35 4.805,36 6.262,37 4.654,38 5.586,39 5.849,40 4.499,41 4.831,42 6.282,43 4.647,44 5.6,45 5.878,46 4.382,47 4.792,48 6.27,49 4.578,50 5.51,51 5.796,52 4.261,53 4.672,54 6.176,55 4.441,56 0.084,57 1.223,58 19.647,59 8.68,60 10.336,61 12.244,62 0.188,63 2.138,64 38.851,65 16.041,66 24.513,67 22.734,68 0.378,69 2.873,70 60.979,71 22.301,72 43.863,73 31.765,74 0.563,75 3.002,76 63.101,77 22.238,78 53.855,79 32.174,80 0.434,81 2.965,82 58.916,83 21.828,84 41.534,85 31.563,86 0.443,87 2.99,88 65.225,89 25.203,90 44.115,91 35.923,92 0.457,93 2.915,94 72.274,95 26.114,96 47.253,97 36.688,98 0.446,99 2.558,100 71.241,101 24.571,102 47.036,103 34.095,104 10,105 71,106 0.201,107 0.495,108 0.677,109 0.797,110 0.827,111 0.841,112 3.81,113 1.06,114 -7.72,115 -7.48,116 -6.9,121 43.2,122 1,123 13,124 2,127 2,137 1,138 1,144 6,145 4,146 4,148 4,176 22,180 8,185 6,187 33,192 6,197 6,200 22,206 8,209 2,211 11,214 26,219 1,224 5,227 23,232 3,237 6,239 35,244 2,249 2,251 30,256 2,264 31,269 2,273 1,277 25,281 4030,282 30.377,283 30.377,284 30.377,285 30.377,286 30.377,287 27.493,288 31.608,289 18.187,290 30.873,291 24.822,292 24.822,293 24.822,294 24.822,295 24.822,296 20.25,297 33.857,298 8.809,299 25.736,300 5.11,301 3.127,302 1.901,303 1.099,304 0.895,305 0.804,306 4.537,308 2,313 1741,314 4.183,318 719.855,320 130.521,322 706.872,324 202.344,325 2.223,326 24.817,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.49,337 90.667,338 767,339 4.686,340 3.508,341 6.986,342 4.303,343 3.319,344 4.594,345 0.68,346 11.934,347 3.265,348 4.651,349 3.373,350 6.833,351 4.214,352 3.235,353 4.582,354 0.4,355 11.364,356 3.165,357 4.143,358 3.064,359 6.24,360 3.826,361 2.84,362 3.624,363 0.4,364 9.32,365 2.801,366 3.99,367 2.943,368 6.004,369 3.58,370 2.61,371 3.534,373 8.477,374 2.532,375 3.814,376 2.858,377 5.569,378 3.416,379 2.452,380 3.131,382 7.471,383 2.369,384 3.584,385 2.562,386 5.427,387 3.202,388 2.252,389 2.961,391 6.886,392 2.167,393 3.568,394 2.547,395 5.39,396 3.193,397 2.229,398 2.925,400 6.847,401 2.104,402 3.406,403 2.457,404 5.126,405 3.016,406 2.084,407 2.725,409 6.137,410 1.935,411 3.365,412 2.272,413 4.899,414 2.915,415 1.987,416 2.699,418 5.573,419 1.867,420 3.012,421 2.146,422 4.836,423 2.874,424 1.923,425 2.045,427 5.357,428 1.773,429 2.93,430 1.966,431 4.666,432 2.827,433 1.854,434 1.939,436 4.874,437 1.704,438 2.877,439 1.886,440 4.121,441 2.678,442 1.703,443 1.901,445 3.856,446 1.636,447 2.733,448 1.716,449 4.049,450 2.58,451 1.599,452 1.772,454 3.526,455 1.547,456 2.642,457 1.525,458 3.98,459 2.432,460 1.443,461 1.675,463 3.381,464 1.419,465 2.521,466 1.434,467 3.861,468 2.294,469 1.322,470 1.524,472 3.199,473 1.281,474 22.029,475 0.501,476 0.986,477 0.022,478 49.5,479 1.125,480 22,481 0.5,482 27.5,483 0.625,484 56.035,485 1.274,486 46.971,487 0.534,488 33.871,489 0.77,490 7.986,491 0.181,492 13.544,493 0.308,494 0.088,496 0.34,501 0.729,502 1.174,503 0.697,504 0.954,505 0.65,506 0.948,507 0.742,508 1.202,509 0.738,510 1,511 0.566,512 0.998,513 0.957,514 1.104,515 0.854,516 0.959,517 0.88,518 0.947,519 0.891,520 1.039,521 0.778,522 0.921,523 0.76,524 0.931,525 1.057,526 1.025,527 0.818,528 0.945,529 0.918,530 1.019,531 0.624,532 1.049,533 0.78,534 1.023,535 0.67,536 1.052,537 0.967,538 0.97,539 1.031,540 1.039,541 1.04,542 1.063,543 1.071,544 0.931,545 1.185,546 1.056,547 1.141,548 1.043,549 7.5,550 0.177,551 3.778,552 3.438,553 2.893,554 1.431,555 0.986,556 0.665,557 0.369,558 0.271,559 43736,560 92685,561 2.19,562 50,563 23,564 11,567 2,568 4,569 4,572 1.815,573 2.095,574 3.931,575 0.013,582 118.794,583 1.35,584 3.332,585 4.558,586 5.36,587 5.564,588 5.655,589 3.149,590 5.187,591 5.442,592 4.235,593 4005.97,594 9.582,595 82763.8,600 568.43,601 1.242,602 5.411,603 0.15,604 0.005,605 0.053,606 0.045,607 0.04,608 0.021,609 0.016,610 0.013,611 0.008,612 0.007,613 0.358,614 0.33,615 0.5,616 0.388,617 262.261,618 -0.005,619 -0.002,620 0.034,621 0.04,622 0.046,623 0.053,624 0.023,625 -0.104,626 0.036,627 -0.02,628 0.163,629 -0.007,630 -0.007,631 -0.063,632 0.024,633 0.007,634 0.031,635 0.03,636 0.108,637 0.015,638 0.045,639 0.015,640 0.123,641 0.024,642 -0.14,643 0.045,644 -0.06,645 -0.014,646 -0.128,647 -0.064,648 0.082,649 -0.064,650 0.022,651 -0.052,652 0.041,653 -0.063,654 -0.073,655 -0.02,656 -0.058,657 -0.048,658 -0.119,659 -0.07,660 -0.061,661 -0.022,662 -0.058,663 -0.037,664 -0.083,665 -0.036,666 0.907,667 2.272,668 0.705,669 51.7,670 0.984,671 1.12,672 6.488,673 42.094,674 0.679,675 3.932,676 4.277,677 4.595,678 4.956,679 5.283,680 5.46,681 5.631,682 5.817,683 5.892,684 5.914,685 10.774,686 0.623,687 627.76,688 3.932,689 5.493,690 6.365,691 7.268,692 8.162,693 9.077,694 9.982,695 10.904,696 11.815,697 12.74,698 4.5,703 2,708 2,714 4,715 6,716 2,720 8,722 22,734 2,740 2,741 88,743 23,744 2,745 50,747 94,748 38,749 18,750 6,751 6,756 7,757 16,758 2,763 1,767 7,768 2,770 13,772 20,773 18,774 2,777 1,784 1,786 1,793 44,794 4,795 2,796 6,797 2,802 4,808 0.286,822 2,829 7,831 1,833 4,835 1,849 1,850 1,859 2,864 1,865 2,868 44,876 15,877 2,880 2,892 2,901 21,902 15.936,903 9.5,904 6.23,907 5.054,908 1.52,909 1.023,910 9.239,911 14.774,912 4.143,913 4.771,914 5.398,915 6.057,916 6.699,917 7.115,918 7.529,919 7.958,920 8.287,921 8.359,922 0.909,923 77,924 16.386,926 7.086,927 0.026,929 7.365,931 33.112,933 29.151,936 1.865,937 82.056,941 494.386,942 149.338,943 69.593,944 78.297,948 149.338,949 572.684,950 69.593,951 8.825,952 37.16,953 66.334,954 69.593,955 37.019,957 494.386,958 78.297,959 494.386,960 218.931,962 78.297,964 447.302,965 47.084,968 55.787,969 84.075,970 157.366,972 494.386,973 69.593,974 227.636,977 494.386,978 74.179,979 75.159,980 36.022,981 111.868,982 494.386,983 69.593,984 227.636,986 0.579,987 0.336,988 0.199,989 0.12,990 36,991 15,992 0.117,993 11,994 6,995 1.355,996 5.463,997 462.674,998 0.387,999 30,1000 236.215,1005 30.176,1006 13.471,1007 6.589,1008 4.478,1009 69.593,1010 12.349,1011 10.095,1015 9.592,1017 36.022,1018 791.615,1019 62,1026 2.483,1028 1.535,1031 86.61,1032 98.6,1034 0.209,1035 0.516,1036 0.706,1037 0.83,1038 0.861,1039 0.876,1040 5.409,1041 2.084,1042 6.347,1043 6.847,1044 4.963,1045 5.46,1046 0.942,1047 7.191,1048 4.897,1049 6.611,1050 1.987,1051 7.914,1052 6.137,1053 4.511,1054 5.366,1056 8.129,1057 4.385,1058 7.931,1059 1.923,1060 9.584,1061 5.573,1062 6.572,1063 7.718,1064 0.425,1065 11.305,1066 6.463,1067 9.287,1068 1.854,1069 11.318,1070 5.357,1071 6.957,1072 8.481,1074 13.12,1075 6.812,1076 10.681,1077 1.703,1078 13.095,1079 4.874,1080 8.477,1081 10.326,1082 0.194,1083 15.817,1084 8.336,1085 12.102,1086 1.599,1087 14.903,1088 3.856,1089 9.282,1090 11.492,1092 18.007,1093 9.118,1094 13.544,1095 1.443,1096 16.734,1097 3.526,1098 10.582,1099 13.139,1100 0.09,1101 20.543,1102 10.414,1103 3.319,1104 1.322,1105 18.583,1106 3.381,1107 11.591,1108 14.496,1110 22.889,1111 11.405,1112 3.235,1113 11.934,1114 20.447,1115 3.199,1116 12.807,1117 16.064,1118 0.042,1119 25.371,1120 12.61,1121 2.84,1122 11.364,1123 22.322,1124 4.594,1125 13.911,1126 17.511,1128 27.783,1129 13.697,1130 2.61,1131 9.32,1132 24.206,1133 4.582,1134 15.099,1135 19.048,1136 0.019,1137 30.249,1138 14.87,1139 2.452,1140 8.477,1141 26.098,1142 3.624,1143 16.245,1144 20.535,1146 32.688,1147 16,1148 2.252,1149 7.471,1150 27.997,1151 3.534,1152 17.425,1153 22.062,1154 0.009,1155 35.15,1156 17.164,1157 2.229,1158 6.886,1159 29.901,1160 3.131,1161 18.592,1162 23.568,1164 37.602,1165 18.313,1166 39174,1167 57299,1168 34.501,1169 59.728,1170 74.679,1171 75.578,1172 76.49,1173 74.8,1174 74.419,1175 93.116,1176 2.96,1177 217.159,1178 71.604,1179 5.655,1180 5.508,1181 6.909,1182 5.345,1183 5.319,1184 7.594,1185 1.36,1186 19.51,1187 5.265,1188 16.931,1189 1.494,1190 1.512,1191 1.53,1192 1.496,1193 1.488,1194 1.862,1195 0.059,1196 4.343,1197 1.432,1198 4.158,1199 4.188,1200 4.156,1201 4.089,1202 5.056,1203 4.091,1204 4.098,1205 4.126,1206 4.11,1207 4.032,1208 5.021,1209 4.035,1210 3.874,1211 3.908,1212 3.867,1213 3.813,1214 4.698,1215 3.802,1216 3.782,1217 3.847,1218 3.778,1219 3.668,1220 4.684,1221 3.652,1222 3.736,1223 3.78,1224 3.629,1225 3.651,1226 4.431,1227 3.633,1228 3.607,1229 3.682,1230 3.579,1231 3.457,1232 4.281,1233 3.445,1234 3.471,1235 3.522,1236 3.444,1237 3.378,1238 4.229,1239 3.367,1240 3.378,1241 3.456,1242 3.367,1243 3.22,1244 4.155,1245 3.212,1246 0.094,1247 0.07,1248 0.14,1249 0.086,1250 0.066,1251 4.686,1252 0.092,1253 3.508,1254 0.014,1255 6.986,1256 0.239,1257 4.303,1258 0.065,1259 3.319,1260 4.594,1261 0.68,1262 11.934,1263 3.265,1264 2.098,1265 2.073,1266 2.188,1267 2.182,1268 1.536,1269 2.186,1270 2.07,1271 2.047,1272 2.149,1273 2.158,1274 1.438,1275 2.159,1276 1.881,1277 1.851,1278 2.044,1279 1.975,1280 1.402,1281 1.998,1282 1.793,1283 1.731,1284 1.996,1285 1.948,1286 1.224,1287 1.976,1288 1.75,1289 1.709,1290 1.927,1291 1.863,1292 1.171,1293 1.892,1294 1.612,1295 1.542,1296 1.871,1297 1.804,1298 1.137,1299 1.831,1300 1.469,1301 1.425,1302 1.692,1303 1.618,1304 0.921,1305 1.644,1306 1.368,1307 1.296,1308 1.644,1309 1.584,1310 0.914,1311 1.613,1312 4.615,1314 5.953,1316 7.498,1318 9.157,1320 10.882,1322 2.298,1323 12.682,1328 17.626,1329 7.715,1332 1.202,1340 54.803,1341 118.794,1342 293.214,1343 401.107,1344 471.675,1345 489.675,1346 497.675,1347 69.088,1348 9.72,1349 49.84,1350 49.84,1351 42,1352 13.248,1353 4.585,1354 3.7,1355 60.869,1356 301,1357 226,1358 0.096,1359 335.167,1360 581.22,1361 809.568,1362 372905,1363 2.3,1364 30.045,1365 0.683,1366 0.624,1367 31.045,1368 27.465,1369 21.53,1370 0.431,1371 0.353,1372 16.903,1373 20.654,1374 16.438,1375 13.557,1376 22.107,1377 17.669,1378 19.609,1379 0.276,1380 0.201,1381 20.426,1382 14.251,1383 16.556,1384 0.169,1385 0.107,1386 17.081,1387 10.507,1388 15.075,1389 0.107,1390 0.06,1391 15.544,1392 8.393,1393 13.088,1394 0.067,1395 0.033,1396 13.551,1397 6.458,1398 0.16,1399 137.256,1400 0.17,1401 39.696,1402 0.242,1403 242,1404 498.363,1405 280.588,1406 561.913,1407 781.55,1408 530,1409 290,1410 553.74,1411 318.177,1412 587.411,1413 872.18,1414 559,1415 8.879}
{0 CHEMBL2011497,1 1.341,2 18.267,3 11.351,4 128.854,5 191.912,6 7.053,7 0.431,8 4.579,9 4.708,10 4.113,11 4.2,12 5.47,13 4.131,14 5.19,15 5.378,16 4.511,17 4.659,18 6.019,19 4.554,20 5.537,21 5.781,22 4.622,23 4.842,24 6.308,25 4.705,26 5.576,27 5.835,28 4.598,29 4.822,30 6.342,31 4.679,32 5.556,33 5.809,34 4.517,35 4.831,36 6.285,37 4.675,38 5.616,39 5.882,40 4.514,41 4.856,42 6.305,43 4.669,44 5.631,45 5.91,46 4.399,47 4.818,48 6.293,49 4.602,50 5.543,51 5.831,52 4.28,53 4.701,54 6.201,55 4.468,56 0.089,57 1.263,58 20.571,59 9.048,60 10.768,61 12.795,62 0.197,63 2.206,64 40.495,65 16.676,66 25.311,67 23.686,68 0.39,69 2.958,70 63.132,71 23.114,72 44.81,73 33.011,74 0.574,75 3.084,76 65.21,77 23.02,78 54.761,79 33.393,80 0.444,81 3.048,82 61.11,83 22.648,84 42.387,85 32.83,86 0.454,87 3.072,88 67.297,89 25.994,90 44.992,91 37.104,92 0.465,93 2.995,94 74.143,95 26.877,96 47.717,97 37.823,98 0.453,99 2.637,100 72.981,101 25.317,102 47.506,103 35.19,104 10,105 72,106 0.198,107 0.486,108 0.666,109 0.785,110 0.821,111 0.843,112 3.831,113 1.069,114 -7.89,115 -7.64,116 -7.05,121 42.9,122 1,123 14,124 2,127 2,137 1,138 1,144 6,145 4,146 4,148 4,176 23,180 8,185 6,187 34,192 6,197 6,200 23,206 8,209 2,211 11,214 27,219 1,224 5,227 24,232 3,237 6,239 36,244 2,249 2,251 30,256 2,261 2,264 31,269 2,277 25,281 4353,282 31.084,283 31.084,284 31.084,285 31.084,286 31.084,287 28.2,288 31.608,289 18.687,290 31.58,291 25.322,292 25.322,293 25.322,294 25.322,295 25.322,296 20.75,297 33.857,298 9.059,299 26.236,300 5.167,301 3.221,302 2.003,303 1.195,304 0.948,305 0.8,306 4.558,308 2,313 1863,314 4.301,318 755.69,320 136.829,322 742.5,324 212.348,325 2.379,326 24.856,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.49,337 92.667,338 822,339 4.686,340 3.508,341 6.986,342 4.303,343 3.319,344 4.594,345 0.68,346 11.934,347 3.265,348 4.651,349 3.373,350 6.833,351 4.214,352 3.235,353 4.582,354 0.4,355 11.364,356 3.165,357 4.143,358 3.064,359 6.24,360 3.826,361 2.84,362 3.624,363 0.4,364 9.32,365 2.801,366 3.99,367 2.943,368 6.004,369 3.58,370 2.61,371 3.534,373 8.477,374 2.532,375 3.814,376 2.858,377 5.569,378 3.416,379 2.452,380 3.131,382 7.471,383 2.369,384 3.584,385 2.562,386 5.427,387 3.202,388 2.252,389 2.961,391 6.886,392 2.167,393 3.568,394 2.547,395 5.39,396 3.193,397 2.229,398 2.925,400 6.847,401 2.104,402 3.406,403 2.457,404 5.126,405 3.016,406 2.084,407 2.725,409 6.137,410 1.94,411 3.365,412 2.272,413 4.899,414 2.926,415 1.988,416 2.699,418 5.573,419 1.882,420 3.012,421 2.146,422 4.836,423 2.877,424 1.931,425 2.045,427 5.357,428 1.774,429 2.939,430 1.968,431 4.666,432 2.833,433 1.864,434 1.946,436 4.874,437 1.706,438 2.883,439 1.899,440 4.121,441 2.706,442 1.725,443 1.906,445 3.877,446 1.679,447 2.758,448 1.747,449 4.049,450 2.61,451 1.631,452 1.79,454 3.576,455 1.562,456 2.656,457 1.563,458 3.983,459 2.438,460 1.453,461 1.695,463 3.391,464 1.424,465 2.553,466 1.434,467 3.879,468 2.364,469 1.384,470 1.562,472 3.244,473 1.354,474 22.529,475 0.501,476 0.986,477 0.022,478 50,479 1.111,480 22,481 0.489,482 28,483 0.622,484 58.121,485 1.292,486 48.271,487 0.53,488 33.975,489 0.755,490 7.986,491 0.177,492 14.044,493 0.312,494 0.086,496 0.333,501 0.731,502 1.182,503 0.709,504 0.967,505 0.651,506 0.961,507 0.744,508 1.209,509 0.749,510 1.012,511 0.567,512 1.01,513 0.952,514 1.099,515 0.853,516 0.957,517 0.874,518 0.945,519 0.888,520 1.037,521 0.779,522 0.92,523 0.756,524 0.93,525 1.052,526 1.023,527 0.818,528 0.944,529 0.912,530 1.015,531 0.624,532 1.047,533 0.781,534 1.02,535 0.668,536 1.047,537 0.966,538 0.97,539 1.027,540 1.035,541 1.035,542 1.058,543 1.065,544 0.932,545 1.177,546 1.052,547 1.133,548 1.038,549 7.5,550 0.177,551 3.778,552 3.438,553 2.893,554 1.431,555 0.986,556 0.665,557 0.369,558 0.271,559 47693,560 99914,561 2.186,562 50.5,563 25,564 11,567 2,568 4,569 4,572 1.819,573 2.093,574 3.987,575 0.005,582 121.995,583 1.341,584 3.287,585 4.504,586 5.313,587 5.56,588 5.708,589 3.233,590 5.136,591 5.475,592 4.304,593 4260.57,594 9.641,595 91046,600 592.209,601 1.231,602 5.444,603 0.147,604 0.005,605 0.052,606 0.044,607 0.039,608 0.021,609 0.016,610 0.013,611 0.008,612 0.007,613 0.352,614 0.33,615 0.5,616 0.383,617 271.238,618 -0.003,619 -0.002,620 0.034,621 0.039,622 0.05,623 0.053,624 0.024,625 -0.107,626 0.033,627 -0.025,628 0.165,629 -0.012,630 -0.001,631 -0.06,632 0.029,633 0.011,634 0.038,635 0.033,636 0.112,637 0.015,638 0.049,639 0.017,640 0.129,641 0.027,642 -0.133,643 0.045,644 -0.054,645 -0.01,646 -0.12,647 -0.058,648 0.083,649 -0.061,650 0.024,651 -0.048,652 0.044,653 -0.058,654 -0.071,655 -0.019,656 -0.055,657 -0.046,658 -0.114,659 -0.066,660 -0.058,661 -0.022,662 -0.054,663 -0.035,664 -0.078,665 -0.034,666 0.905,667 2.273,668 0.689,669 54.984,670 0.983,671 1.121,672 6.658,673 44.326,674 0.676,675 3.951,676 4.29,677 4.605,678 4.963,679 5.288,680 5.464,681 5.635,682 5.82,683 5.894,684 5.916,685 11.296,686 0.619,687 641.79,688 3.951,689 5.509,690 6.378,691 7.279,692 8.171,693 9.084,694 9.988,695 10.909,696 11.819,697 12.743,698 4.4,703 2,708 2,714 4,715 6,716 2,720 8,722 22,734 2,740 2,741 91,743 23,744 2,745 51,747 97,748 39,749 18,750 6,751 6,756 7,757 16,758 2,763 1,767 7,768 2,770 14,772 20,773 19,774 2,777 1,784 1,786 1,793 46,794 4,795 2,796 6,797 2,802 4,808 0.286,822 2,829 7,831 1,833 4,835 1,849 1,850 1,859 2,864 1,865 2,868 45,876 16,877 2,880 2,892 2,901 21.5,902 16.436,903 9.75,904 6.48,907 5.04,908 1.518,909 1.019,910 9.75,911 14.775,912 4.159,913 4.779,914 5.403,915 6.059,916 6.701,917 7.116,918 7.53,919 7.958,920 8.288,921 8.359,922 1,923 78,924 16.764,926 7.228,927 0.026,929 7.357,931 33.929,933 29.818,936 1.857,937 83.556,941 517.928,942 151.873,943 69.593,944 78.297,948 151.873,949 596.226,950 69.593,951 8.825,952 39.695,953 66.334,954 69.593,955 37.019,957 517.928,958 78.297,959 517.928,960 221.465,962 78.297,964 470.844,965 47.084,968 58.322,969 84.075,970 157.366,972 517.928,973 69.593,974 230.17,977 517.928,978 76.714,979 75.159,980 36.022,981 111.868,982 517.928,983 69.593,984 230.17,986 0.577,987 0.334,988 0.197,989 0.119,990 36,991 15,992 0.124,993 12,994 6,995 1.355,996 5.576,997 471.524,998 0.387,999 30,1000 245.133,1005 31.123,1006 14.097,1007 6.956,1008 4.492,1009 69.593,1010 12.362,1011 10.096,1015 9.618,1017 36.022,1018 817.691,1019 63,1026 2.485,1028 1.537,1031 89.494,1032 102.016,1034 0.206,1035 0.505,1036 0.692,1037 0.816,1038 0.854,1039 0.877,1040 5.423,1041 2.084,1042 6.358,1043 6.847,1044 4.977,1045 5.468,1046 0.942,1047 7.197,1048 4.912,1049 6.62,1050 1.988,1051 7.921,1052 6.137,1053 4.511,1054 5.366,1056 8.129,1057 4.385,1058 7.938,1059 1.931,1060 9.589,1061 5.573,1062 6.581,1063 7.72,1064 0.425,1065 11.306,1066 6.472,1067 9.292,1068 1.864,1069 11.321,1070 5.357,1071 6.957,1072 8.481,1074 13.12,1075 6.812,1076 10.685,1077 1.725,1078 13.097,1079 4.874,1080 8.482,1081 10.326,1082 0.194,1083 15.818,1084 8.341,1085 12.104,1086 1.631,1087 14.904,1088 3.877,1089 9.282,1090 11.492,1092 18.007,1093 9.118,1094 13.545,1095 1.453,1096 16.735,1097 3.576,1098 10.584,1099 13.139,1100 0.09,1101 20.543,1102 10.416,1103 3.319,1104 1.384,1105 18.584,1106 3.391,1107 11.591,1108 14.496,1110 22.889,1111 11.405,1112 3.235,1113 11.934,1114 20.447,1115 3.244,1116 12.808,1117 16.064,1118 0.042,1119 25.371,1120 12.611,1121 2.84,1122 11.364,1123 22.322,1124 4.594,1125 13.911,1126 17.511,1128 27.783,1129 13.697,1130 2.61,1131 9.32,1132 24.206,1133 4.582,1134 15.099,1135 19.048,1136 0.019,1137 30.249,1138 14.871,1139 2.452,1140 8.477,1141 26.099,1142 3.624,1143 16.245,1144 20.535,1146 32.688,1147 16,1148 2.252,1149 7.471,1150 27.997,1151 3.534,1152 17.426,1153 22.062,1154 0.009,1155 35.15,1156 17.164,1157 2.229,1158 6.886,1159 29.901,1160 3.131,1161 18.592,1162 23.568,1164 37.602,1165 18.313,1166 42753,1167 62169,1168 35.194,1169 61.489,1170 75.942,1171 76.847,1172 77.763,1173 76.125,1174 75.741,1175 94.447,1176 2.96,1177 219.834,1178 72.924,1179 5.658,1180 5.508,1181 6.921,1182 5.345,1183 5.319,1184 7.594,1185 1.36,1186 19.51,1187 5.265,1188 17.249,1189 1.489,1190 1.507,1191 1.525,1192 1.493,1193 1.485,1194 1.852,1195 0.058,1196 4.31,1197 1.43,1198 4.158,1199 4.188,1200 4.156,1201 4.089,1202 5.056,1203 4.091,1204 4.098,1205 4.126,1206 4.11,1207 4.032,1208 5.021,1209 4.035,1210 3.874,1211 3.908,1212 3.867,1213 3.813,1214 4.698,1215 3.802,1216 3.794,1217 3.858,1218 3.778,1219 3.677,1220 4.684,1221 3.659,1222 3.736,1223 3.78,1224 3.636,1225 3.657,1226 4.431,1227 3.64,1228 3.638,1229 3.711,1230 3.587,1231 3.492,1232 4.281,1233 3.478,1234 3.484,1235 3.542,1236 3.464,1237 3.388,1238 4.235,1239 3.378,1240 3.416,1241 3.486,1242 3.386,1243 3.256,1244 4.157,1245 3.247,1246 0.092,1247 0.069,1248 0.137,1249 0.084,1250 0.065,1251 4.686,1252 0.09,1253 3.508,1254 0.013,1255 6.986,1256 0.234,1257 4.303,1258 0.064,1259 3.319,1260 4.594,1261 0.68,1262 11.934,1263 3.265,1264 2.098,1265 2.073,1266 2.188,1267 2.182,1268 1.536,1269 2.186,1270 2.07,1271 2.047,1272 2.149,1273 2.158,1274 1.439,1275 2.159,1276 1.881,1277 1.851,1278 2.053,1279 1.977,1280 1.413,1281 2.003,1282 1.804,1283 1.743,1284 1.998,1285 1.955,1286 1.258,1287 1.981,1288 1.75,1289 1.709,1290 1.929,1291 1.864,1292 1.179,1293 1.893,1294 1.648,1295 1.58,1296 1.903,1297 1.832,1298 1.144,1299 1.861,1300 1.478,1301 1.432,1302 1.71,1303 1.656,1304 0.996,1305 1.68,1306 1.416,1307 1.343,1308 1.689,1309 1.597,1310 0.918,1311 1.632,1312 4.635,1314 5.969,1316 7.509,1318 9.164,1320 10.887,1322 2.299,1323 12.682,1328 19.058,1329 7.719,1332 1.207,1340 56.33,1341 121.995,1342 299.079,1343 409.896,1344 483.48,1345 505.945,1346 519.454,1347 71.824,1348 9.735,1349 49.84,1350 49.84,1351 42,1352 13.252,1353 4.585,1354 3.7,1355 63.015,1356 323,1357 239,1358 0.092,1359 344.76,1360 598.52,1361 832.973,1362 389529,1363 2.2,1364 30.752,1365 0.683,1366 0.626,1367 31.752,1368 28.172,1369 22.03,1370 0.432,1371 0.356,1372 17.403,1373 21.154,1374 16.929,1375 13.974,1376 22.607,1377 18.169,1378 19.963,1379 0.277,1380 0.203,1381 20.779,1382 14.605,1383 16.806,1384 0.17,1385 0.109,1386 17.331,1387 10.757,1388 15.251,1389 0.107,1390 0.06,1391 15.721,1392 8.57,1393 13.213,1394 0.067,1395 0.033,1396 13.676,1397 6.583,1398 0.154,1399 140.256,1400 0.169,1401 40.599,1402 0.23,1403 246,1404 502.363,1405 284.588,1406 566.075,1407 787.31,1408 534,1409 294,1410 557.74,1411 322.177,1412 591.573,1413 877.94,1414 563,1415 8.487}
{0 CHEMBL2011498,1 1.332,2 19.109,3 11.808,4 139.419,5 196.513,6 6.977,7 0.423,8 4.608,9 4.739,10 4.132,11 4.226,12 5.492,13 4.155,14 5.221,15 5.412,16 4.525,17 4.684,18 6.041,19 4.576,20 5.569,21 5.817,22 4.635,23 4.867,24 6.33,25 4.726,26 5.607,27 5.869,28 4.612,29 4.847,30 6.363,31 4.7,32 5.588,33 5.843,34 4.532,35 4.855,36 6.308,37 4.697,38 5.646,39 5.914,40 4.529,41 4.88,42 6.327,43 4.691,44 5.66,45 5.941,46 4.415,47 4.843,48 6.316,49 4.625,50 5.575,51 5.865,52 4.299,53 4.729,54 6.226,55 4.495,56 0.094,57 1.303,58 21.486,59 9.414,60 11.19,61 13.341,62 0.206,63 2.273,64 42.117,65 17.306,66 26.091,67 24.629,68 0.401,69 3.042,70 65.24,71 23.919,72 45.721,73 34.238,74 0.585,75 3.166,76 67.277,77 23.795,78 55.637,79 34.596,80 0.454,81 3.13,82 63.255,83 23.458,84 43.204,85 34.077,86 0.464,87 3.154,88 69.328,89 26.777,90 45.835,91 38.27,92 0.473,93 3.074,94 75.984,95 27.635,96 48.173,97 38.945,98 0.46,99 2.716,100 74.702,101 26.059,102 47.97,103 36.275,104 10,105 73,106 0.196,107 0.476,108 0.654,109 0.773,110 0.812,111 0.837,112 3.853,113 1.077,114 -8.06,115 -7.8,116 -7.19,121 42.6,122 1,123 15,124 2,127 2,137 1,138 1,144 6,145 4,146 4,148 4,176 24,180 8,185 6,187 35,192 6,197 6,200 24,206 8,209 2,211 11,214 28,219 1,224 5,227 25,232 3,237 6,239 37,244 2,249 2,251 31,256 2,261 2,264 31,269 2,274 2,277 25,281 4676,282 31.791,283 31.791,284 31.791,285 31.791,286 31.791,287 28.907,288 31.608,289 19.187,290 32.287,291 25.822,292 25.822,293 25.822,294 25.822,295 25.822,296 21.25,297 33.857,298 9.309,299 26.736,300 5.223,301 3.312,302 2.105,303 1.295,304 1.029,305 0.859,306 4.579,308 2,313 1989,314 4.416,318 791.613,320 143.174,322 778.141,324 222.381,325 2.52,326 24.892,329 0.5,330 0.33,331 0.5,332 0.8,333 0.5,334 0.5,335 0.5,336 0.52,337 94.667,338 879,339 4.686,340 3.508,341 6.986,342 4.303,343 3.319,344 4.594,345 0.68,346 11.934,347 3.265,348 4.651,349 3.373,350 6.833,351 4.214,352 3.235,353 4.582,354 0.4,355 11.364,356 3.165,357 4.143,358 3.064,359 6.24,360 3.826,361 2.84,362 3.624,363 0.4,364 9.32,365 2.801,366 3.99,367 2.943,368 6.004,369 3.58,370 2.61,371 3.534,373 8.477,374 2.532,375 3.814,376 2.858,377 5.569,378 3.416,379 2.452,380 3.131,382 7.471,383 2.369,384 3.584,385 2.562,386 5.427,387 3.202,388 2.252,389 2.961,391 6.886,392 2.167,393 3.568,394 2.547,395 5.39,396 3.193,397 2.229,398 2.925,400 6.847,401 2.104,402 3.406,403 2.457,404 5.126,405 3.016,406 2.084,407 2.725,409 6.137,410 1.945,411 3.365,412 2.272,413 4.899,414 2.935,415 1.988,416 2.699,418 5.573,419 1.893,420 3.012,421 2.146,422 4.836,423 2.88,424 1.938,425 2.045,427 5.357,428 1.774,429 2.946,430 1.97,431 4.666,432 2.838,433 1.872,434 1.952,436 4.874,437 1.726,438 2.887,439 1.91,440 4.121,441 2.736,442 1.75,443 1.91,445 3.894,446 1.7,447 2.783,448 1.774,449 4.049,450 2.627,451 1.652,452 1.809,454 3.622,455 1.572,456 2.669,457 1.6,458 3.985,459 2.461,460 1.481,461 1.711,463 3.402,464 1.446,465 2.579,466 1.451,467 3.894,468 2.412,469 1.422,470 1.594,472 3.288,473 1.404,474 23.029,475 0.501,476 0.986,477 0.021,478 50.5,479 1.098,480 22,481 0.478,482 28.5,483 0.62,484 60.221,485 1.309,486 49.571,487 0.527,488 34.081,489 0.741,490 7.986,491 0.174,492 14.544,493 0.316,494 0.084,496 0.326,501 0.734,502 1.189,503 0.72,504 0.979,505 0.653,506 0.973,507 0.745,508 1.216,509 0.759,510 1.023,511 0.569,512 1.022,513 0.948,514 1.095,515 0.852,516 0.956,517 0.869,518 0.944,519 0.885,520 1.035,521 0.78,522 0.92,523 0.753,524 0.93,525 1.047,526 1.021,527 0.818,528 0.943,529 0.907,530 1.012,531 0.625,532 1.045,533 0.783,534 1.017,535 0.667,536 1.043,537 0.964,538 0.971,539 1.024,540 1.032,541 1.031,542 1.054,543 1.061,544 0.933,545 1.169,546 1.047,547 1.125,548 1.034,549 7.5,550 0.177,551 3.778,552 3.438,553 2.893,554 1.431,555 0.986,556 0.665,557 0.369,558 0.271,559 51854,560 107431,561 2.182,562 51.1,563 27,564 11,567 2,568 4,569 4,572 1.823,573 2.091,574 4.044,575 -0.003,582 125.176,583 1.332,584 3.242,585 4.449,586 5.259,587 5.525,588 5.695,589 3.27,590 5.176,591 5.507,592 4.37,593 4522.63,594 9.698,595 99851.4,600 616.131,601 1.22,602 5.476,603 0.144,604 0.005,605 0.052,606 0.044,607 0.039,608 0.021,609 0.015,610 0.012,611 0.008,612 0.007,613 0.346,614 0.33,615 0.5,616 0.377,617 280.235,618 -0.001,619 -0.002,620 0.035,621 0.039,622 0.054,623 0.052,624 0.025,625 -0.11,626 0.03,627 -0.029,628 0.166,629 -0.017,630 0.004,631 -0.057,632 0.033,633 0.014,634 0.044,635 0.037,636 0.116,637 0.015,638 0.051,639 0.019,640 0.133,641 0.029,642 -0.127,643 0.045,644 -0.048,645 -0.007,646 -0.112,647 -0.052,648 0.084,649 -0.059,650 0.026,651 -0.045,652 0.047,653 -0.054,654 -0.068,655 -0.019,656 -0.052,657 -0.043,658 -0.11,659 -0.063,660 -0.055,661 -0.021,662 -0.051,663 -0.033,664 -0.073,665 -0.033,666 0.903,667 2.274,668 0.674,669 58.48,670 0.983,671 1.122,672 6.826,673 46.594,674 0.673,675 3.97,676 4.304,677 4.615,678 4.97,679 5.293,680 5.468,681 5.638,682 5.823,683 5.897,684 5.919,685 11.815,686 0.615,687 655.82,688 3.97,689 5.525,690 6.392,691 7.29,692 8.18,693 9.091,694 9.994,695 10.913,696 11.823,697 12.746,698 4.3,703 2,708 2,714 4,715 6,716 2,720 8,722 22,734 2,740 2,741 94,743 23,744 2,745 52,747 100,748 40,749 18,750 6,751 6,756 7,757 16,758 2,763 1,767 7,768 2,770 15,772 20,773 20,774 2,777 1,784 1,786 1,793 48,794 4,795 2,796 6,797 2,802 4,808 0.286,822 2,829 7,831 1,833 4,835 1,849 1,850 1,859 2,864 1,865 2,868 46,876 17,877 2,880 2,892 2,901 22,902 16.936,903 10,904 6.73,907 5.027,908 1.516,909 1.015,910 10.271,911 14.776,912 4.174,913 4.787,914 5.407,915 6.061,916 6.702,917 7.116,918 7.53,919 7.959,920 8.288,921 8.359,922 0.917,923 79,924 17.142,926 7.37,927 0.026,929 7.349,931 34.745,933 30.484,936 1.849,937 85.056,941 541.471,942 154.407,943 69.593,944 78.297,948 154.407,949 619.768,950 69.593,951 8.825,952 42.229,953 66.334,954 69.593,955 37.019,957 541.471,958 78.297,959 541.471,960 224,962 78.297,964 494.386,965 47.084,968 60.856,969 84.075,970 157.366,972 541.471,973 69.593,974 232.705,977 541.471,978 79.249,979 75.159,980 36.022,981 111.868,982 541.471,983 69.593,984 232.705,986 0.576,987 0.332,988 0.196,989 0.117,990 36,991 15,992 0.13,993 13,994 6,995 1.355,996 5.689,997 480.458,998 0.387,999 30,1000 254.084,1005 32.073,1006 14.731,1007 7.34,1008 4.502,1009 69.593,1010 12.374,1011 10.098,1015 9.639,1017 36.022,1018 843.768,1019 64,1026 2.486,1028 1.539,1031 92.377,1032 105.431,1034 0.203,1035 0.495,1036 0.679,1037 0.802,1038 0.843,1039 0.869,1040 5.436,1041 2.084,1042 6.368,1043 6.847,1044 4.99,1045 5.476,1046 0.942,1047 7.203,1048 4.926,1049 6.63,1050 1.988,1051 7.928,1052 6.137,1053 4.511,1054 5.366,1056 8.129,1057 4.385,1058 7.944,1059 1.938,1060 9.593,1061 5.573,1062 6.589,1063 7.723,1064 0.425,1065 11.307,1066 6.482,1067 9.297,1068 1.872,1069 11.324,1070 5.357,1071 6.957,1072 8.481,1074 13.12,1075 6.812,1076 10.688,1077 1.75,1078 13.099,1079 4.874,1080 8.486,1081 10.327,1082 0.194,1083 15.818,1084 8.346,1085 12.106,1086 1.652,1087 14.905,1088 3.894,1089 9.282,1090 11.492,1092 18.007,1093 9.118,1094 13.547,1095 1.481,1096 16.736,1097 3.622,1098 10.586,1099 13.139,1100 0.09,1101 20.543,1102 10.418,1103 3.319,1104 1.422,1105 18.584,1106 3.402,1107 11.591,1108 14.496,1110 22.889,1111 11.405,1112 3.235,1113 11.934,1114 20.447,1115 3.288,1116 12.809,1117 16.064,1118 0.042,1119 25.371,1120 12.612,1121 2.84,1122 11.364,1123 22.322,1124 4.594,1125 13.911,1126 17.511,1128 27.783,1129 13.697,1130 2.61,1131 9.32,1132 24.206,1133 4.582,1134 15.099,1135 19.048,1136 0.019,1137 30.249,1138 14.871,1139 2.452,1140 8.477,1141 26.099,1142 3.624,1143 16.245,1144 20.535,1146 32.688,1147 16,1148 2.252,1149 7.471,1150 27.997,1151 3.534,1152 17.426,1153 22.062,1154 0.009,1155 35.15,1156 17.164,1157 2.229,1158 6.886,1159 29.901,1160 3.131,1161 18.592,1162 23.568,1164 37.602,1165 18.313,1166 46524,1167 67273,1168 35.887,1169 63.251,1170 77.181,1171 78.103,1172 79.029,1173 77.36,1174 76.967,1175 95.665,1176 2.96,1177 222.259,1178 74.152,1179 5.661,1180 5.508,1181 6.93,1182 5.345,1183 5.319,1184 7.594,1185 1.36,1186 19.51,1187 5.265,1188 17.564,1189 1.484,1190 1.502,1191 1.52,1192 1.488,1193 1.48,1194 1.84,1195 0.057,1196 4.274,1197 1.426,1198 4.159,1199 4.189,1200 4.156,1201 4.09,1202 5.056,1203 4.091,1204 4.098,1205 4.126,1206 4.11,1207 4.032,1208 5.021,1209 4.035,1210 3.874,1211 3.908,1212 3.867,1213 3.813,1214 4.698,1215 3.802,1216 3.803,1217 3.867,1218 3.778,1219 3.686,1220 4.684,1221 3.667,1222 3.736,1223 3.78,1224 3.642,1225 3.658,1226 4.432,1227 3.643,1228 3.664,1229 3.736,1230 3.592,1231 3.523,1232 4.282,1233 3.507,1234 3.505,1235 3.574,1236 3.484,1237 3.395,1238 4.239,1239 3.386,1240 3.442,1241 3.5,1242 3.398,1243 3.299,1244 4.159,1245 3.287,1246 0.09,1247 0.067,1248 0.134,1249 0.083,1250 0.064,1251 4.686,1252 0.088,1253 3.508,1254 0.013,1255 6.986,1256 0.229,1257 4.303,1258 0.063,1259 3.319,1260 4.594,1261 0.68,1262 11.934,1263 3.265,1264 2.098,1265 2.073,1266 2.188,1267 2.182,1268 1.536,1269 2.186,1270 2.07,1271 2.047,1272 2.149,1273 2.158,1274 1.44,1275 2.159,1276 1.881,1277 1.851,1278 2.061,1279 1.978,1280 1.421,1281 2.008,1282 1.812,1283 1.752,1284 2,1285 1.96,1286 1.289,1287 1.984,1288 1.75,1289 1.709,1290 1.94,1291 1.866,1292 1.184,1293 1.896,1294 1.678,1295 1.611,1296 1.92,1297 1.854,1298 1.148,1299 1.883,1300 1.499,1301 1.443,1302 1.76,1303 1.697,1304 1.06,1305 1.723,1306 1.449,1307 1.386,1308 1.691,1309 1.601,1310 0.918,1311 1.635,1312 4.654,1314 5.984,1316 7.52,1318 9.172,1320 10.891,1322 2.301,1323 12.683,1328 20.499,1329 7.722,1332 1.212,1340 57.857,1341 125.176,1342 304.786,1343 418.249,1344 494.357,1345 519.376,1346 535.376,1347 74.618,1348 9.749,1349 49.84,1350 49.84,1351 42,1352 13.255,1353 4.585,1354 3.7,1355 65.185,1356 346,1357 252,1358 0.089,1359 354.352,1360 615.82,1361 856.379,1362 406398,1363 2.1,1364 31.459,1365 0.684,1366 0.628,1367 32.459,1368 28.879,1369 22.53,1370 0.433,1371 0.359,1372 17.903,1373 21.654,1374 17.419,1375 14.391,1376 23.107,1377 18.669,1378 20.316,1379 0.278,1380 0.205,1381 21.133,1382 14.958,1383 17.056,1384 0.171,1385 0.11,1386 17.581,1387 11.007,1388 15.428,1389 0.108,1390 0.061,1391 15.897,1392 8.747,1393 13.338,1394 0.067,1395 0.034,1396 13.801,1397 6.708,1398 0.15,1399 143.256,1400 0.167,1401 41.491,1402 0.219,1403 250,1404 506.363,1405 288.588,1406 570.237,1407 793.07,1408 538,1409 298,1410 561.74,1411 326.177,1412 595.735,1413 883.7,1414 567,1415 8.041}
{0 CHEMBL2011499,1 1.399,2 7.3,3 4.044,4 16.357,5 83.838,6 7.698,7 0.478,8 3.715,9 3.834,10 3.329,11 3.378,12 4.711,13 3.322,14 4.289,15 4.451,16 3.774,17 3.851,18 5.208,19 3.77,20 4.621,21 4.815,22 3.881,23 4.047,24 5.524,25 3.933,26 4.713,27 4.962,28 3.793,29 3.977,30 5.599,31 3.84,32 4.597,33 4.853,34 3.527,35 3.834,36 5.459,37 3.673,38 4.483,39 4.779,40 3.411,41 3.651,42 5.262,43 3.455,44 4.142,45 4.395,46 3.005,47 3.369,48 4.997,49 3.152,50 3.826,51 4.129,52 2.773,53 2.966,54 4.57,55 2.706,56 0.035,57 0.509,58 7.43,59 3.406,60 6.55,61 4.693,62 0.052,63 0.878,64 14.641,65 6.551,66 10.061,67 9.066,68 0.124,69 1.208,70 23.259,71 9.077,72 19.867,73 12.543,74 0.234,75 1.319,76 27.096,77 9.852,78 31.119,79 13.882,80 0.204,81 1.19,82 23.247,83 8.276,84 28.549,85 11.682,86 0.166,87 0.957,88 23.659,89 8.76,90 26.07,91 12.353,92 0.156,93 0.668,94 19.424,95 5.989,96 23.156,97 8.086,98 0.09,99 0.435,100 15.378,101 4.965,102 13.163,103 6.728,104 10,105 35,106 0.253,107 0.663,108 0.826,109 0.878,110 0.878,111 0.878,112 3.061,113 0.984,114 -4.87,115 -4.78,116 -4.49,121 45.9,122 1,123 3,124 2,137 1,138 1,144 3,145 2,146 2,148 2,165 1,166 1,167 1,176 11,180 4,185 2,187 19,189 2,192 3,197 2,200 13,203 2,206 5,208 1,209 1,211 5,214 13,216 5,219 1,224 2,227 8,229 2,232 1,237 3,239 12,241 3,251 7,264 6,277 1,281 364,282 13.411,283 13.411,284 13.411,285 13.411,286 13.411,287 11.787,288 13.481,289 7.587,290 13.613,291 11.383,292 11.383,293 11.383,294 11.383,295 11.383,296 8.897,297 11.786,298 3.662,299 11.773,300 3.81,301 1.535,302 0.635,303 0.345,304 0.345,305 0.345,306 3.759,308 1,310 1,311 1,312 1,313 327,314 2.121,318 122.588,320 41.242,322 99.424,324 60.137,325 1.23,326 13.868,328 1,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 41.333,338 146,339 4.673,340 3.492,341 6.939,342 4.287,343 3.302,344 4.585,345 0.68,346 11.686,347 3.253,348 4.143,349 3.058,350 6.232,351 3.822,352 2.836,353 3.62,355 9.285,356 2.796,357 3.805,358 2.843,359 5.533,360 3.403,361 2.433,362 3.122,364 7.367,365 2.362,366 3.543,367 2.523,368 5.363,369 3.178,370 2.201,371 2.908,373 6.745,374 2.151,375 3.398,376 2.456,377 5.096,378 3,379 2.081,380 2.716,382 6.046,383 1.86,384 3.009,385 2.065,386 4.801,387 2.811,388 1.837,389 2.045,391 5.249,392 1.772,393 2.87,394 1.798,395 4.657,396 2.6,397 1.626,398 1.902,400 4.78,401 1.548,402 2.49,403 1.208,404 3.953,405 2.074,406 1.096,407 1.485,409 2.875,410 1.058,411 1.431,412 0.552,413 3.306,414 1.16,415 0.182,416 0.21,418 0.534,419 0.173,420 1.339,421 0.282,422 3,423 0.95,429 1.03,430 0.119,431 2.668,432 0.663,433 -0.245,434 -0.293,436 -0.613,437 -0.18,438 0.687,439 0.009,440 2.491,441 0.567,442 -0.399,443 -0.418,445 -1.016,446 -0.385,447 0.623,448 -0.524,449 2.343,450 0.251,451 -0.688,452 -0.856,454 -1.966,455 -0.619,456 0.352,457 -0.605,458 2.194,459 0.082,460 -0.912,461 -1.011,463 -2.74,464 -0.902,465 0.156,466 -0.918,467 1.916,468 -0.159,469 -1.123,470 -1.48,472 -3.102,473 -0.959,474 10.014,475 0.501,476 0.644,477 0.032,478 24,479 1.2,480 11.5,481 0.575,482 12.5,483 0.625,484 18.457,485 0.923,486 20.586,487 0.556,488 13.956,489 0.698,490 4.099,491 0.205,492 5.515,493 0.276,494 0.161,496 0.449,501 0.755,502 0.972,503 0.634,504 0.802,505 0.923,506 0.819,507 0.563,508 1.074,509 0.624,510 0.889,511 0.475,512 0.875,513 0.901,514 1.216,515 0.922,516 1.099,517 0.865,518 1.085,519 0.751,520 1.1,521 0.755,522 0.979,523 0.794,524 0.977,525 1.192,526 1.01,527 0.866,528 0.954,529 1.38,530 1.063,531 0.45,532 0.866,533 0.631,534 0.832,535 0.487,536 0.833,537 1.626,538 0.922,539 1.581,540 1.201,541 1.694,542 1.224,543 1.056,544 0.752,545 1.232,546 0.918,547 0.893,548 0.883,549 5,551 2,552 2.188,553 1.622,554 0.819,555 0.322,556 0.252,557 0.07,558 0.051,559 3521,560 8183,561 2.163,562 45.9,563 9,564 4,567 2,568 2,572 1.623,573 2,574 2.862,575 0.262,577 1,582 51.776,583 1.399,584 3.674,585 4.574,586 4.865,587 4.865,588 4.865,589 2.461,590 3.546,591 4.297,592 2.934,593 557.498,594 7.366,595 5317.92,597 1,598 1,599 1,600 192.75,601 1.458,602 4.245,603 0.217,605 0.057,606 0.059,607 0.051,608 0.036,609 0.017,610 0.023,611 0.01,612 0.026,613 0.495,614 0.83,615 1,616 0.627,617 85.244,618 -0.069,619 0.128,620 0.018,621 0.103,622 -0.11,623 0.09,624 0.058,625 -0.049,626 0.085,627 0.048,628 0.144,629 0.071,630 -0.058,631 -0.198,632 -0.099,633 -0.163,634 -0.053,635 -0.144,636 0.141,637 -0.089,638 0.039,639 -0.052,640 0.151,641 -0.027,642 -0.214,643 0.046,644 -0.114,645 -0.055,646 -0.259,647 -0.139,648 0.256,649 0.029,650 0.249,651 0.164,652 0.297,653 0.188,654 -0.311,655 0.017,656 -0.306,657 -0.187,658 -0.42,659 -0.24,660 0.085,661 0.048,662 0.179,663 0.183,664 0.088,665 0.191,666 0.948,667 2.468,668 0.85,669 10.84,670 0.989,671 1.115,672 3.644,673 13.278,674 0.702,675 3.178,676 3.584,677 3.912,678 4.29,679 4.605,680 4.804,681 4.942,682 5.153,683 5.182,684 5.257,685 4.302,686 0.651,687 284.81,688 3.178,689 4.762,690 5.652,691 6.581,692 7.487,693 8.421,694 9.334,695 10.27,696 11.185,697 12.123,698 5.4,702 1,708 1,714 2,715 3,716 1,720 4,722 11,733 1,740 1,741 37,743 12,744 1,745 23,747 40,748 17,749 9,750 3,751 3,756 4,757 10,758 1,763 1,767 3,768 2,770 3,772 11,773 6,774 2,777 1,784 1,786 1,790 1,793 17,794 2,795 2,796 3,797 1,802 2,808 0.25,822 1,829 4,831 1,833 2,835 1,849 1,850 1,859 1,864 1,865 1,868 20,869 1,876 3,880 2,892 1,901 10,902 6.926,903 4.139,904 2.358,907 2.745,908 1.368,909 1.043,910 2.664,911 10.201,912 3.418,913 4.103,914 4.727,915 5.382,916 6.012,917 6.445,918 6.857,919 7.325,920 7.675,921 7.84,922 1,923 37,924 7.416,926 3.298,927 0.026,929 7.497,931 14.71,933 13.227,936 1.997,937 39.944,938 0.002,941 176.567,942 74.436,943 49.683,944 39.149,948 74.436,949 215.715,950 49.683,951 8.825,952 7.604,953 70.802,954 16.786,955 20.102,957 176.567,958 39.149,959 176.567,960 124.119,962 39.149,964 176.567,968 21.33,969 76.527,970 65.41,972 176.567,973 49.683,974 113.585,977 176.567,978 27.706,979 46.73,981 88.831,982 176.567,983 49.683,984 113.585,986 0.604,987 0.355,988 0.208,989 0.12,990 21,991 9,994 4,995 1.412,996 3.147,997 169.942,998 0.471,999 16,1000 86.439,1005 12.371,1006 4.308,1007 1.904,1008 1.966,1009 49.683,1010 5.808,1011 4.851,1015 4.113,1017 32.897,1018 339.834,1019 29.5,1026 2.416,1028 1.493,1031 36.596,1032 41.262,1034 0.269,1035 0.705,1036 0.878,1037 0.934,1038 0.934,1039 0.934,1040 4.707,1041 1.096,1042 5.68,1043 4.78,1044 4.263,1045 4.787,1046 0.655,1047 6.564,1048 4.205,1049 5.951,1050 0.182,1051 7.28,1052 2.875,1053 4.007,1054 4.783,1056 7.545,1057 3.904,1058 7.294,1060 8.974,1061 0.534,1062 5.927,1063 7.07,1064 0.356,1065 10.703,1066 5.837,1067 8.666,1068 -0.245,1069 10.721,1071 6.415,1072 7.846,1074 12.497,1075 6.296,1076 10.068,1077 -0.399,1078 12.504,1079 -0.613,1080 7.869,1081 9.67,1082 0.18,1083 15.199,1084 7.756,1085 11.491,1086 -0.688,1087 14.314,1088 -1.016,1089 8.721,1090 10.83,1092 17.365,1093 8.589,1094 12.932,1095 -0.912,1096 16.144,1097 -1.966,1098 9.994,1099 12.468,1100 0.087,1101 19.904,1102 9.86,1103 3.302,1104 -1.123,1105 17.991,1106 -2.74,1107 11.024,1108 13.819,1110 22.234,1111 10.873,1112 2.836,1113 11.686,1114 19.851,1115 -3.102,1116 12.229,1117 15.382,1118 0.041,1119 24.714,1120 12.071,1121 2.433,1122 9.285,1123 21.724,1124 4.585,1125 13.341,1126 16.824,1128 27.115,1129 13.169,1130 2.201,1131 7.367,1132 23.606,1133 3.62,1134 14.525,1135 18.358,1136 0.019,1137 29.575,1138 14.342,1139 2.081,1140 6.745,1141 25.497,1142 3.122,1143 15.676,1144 19.842,1146 32.006,1147 15.478,1148 1.837,1149 6.046,1150 27.394,1151 2.908,1152 16.856,1153 21.367,1154 0.009,1155 34.462,1156 16.645,1157 1.626,1158 5.249,1159 29.297,1160 2.716,1161 18.025,1162 22.87,1164 36.906,1165 17.799,1166 3338,1167 5194,1168 15.433,1169 25.961,1170 35.747,1171 35.891,1172 36.981,1173 35.372,1174 35.189,1175 45.184,1176 1.36,1177 109.137,1178 33.947,1179 5.626,1180 5.492,1181 6.224,1182 5.33,1183 5.302,1184 7.585,1185 1.36,1186 19.262,1187 5.253,1188 9.098,1189 1.554,1190 1.56,1191 1.608,1192 1.538,1193 1.53,1194 1.965,1195 0.059,1196 4.745,1197 1.476,1198 4.135,1199 4.163,1200 4.135,1201 4.07,1202 5.158,1203 4.071,1204 3.873,1205 3.907,1206 3.865,1207 3.813,1208 4.898,1209 3.802,1210 3.472,1211 3.517,1212 3.579,1213 3.389,1214 4.614,1215 3.381,1216 3.273,1217 3.345,1218 3.202,1219 3.14,1220 4.42,1221 3.127,1222 3.138,1223 3.217,1224 3.056,1225 2.989,1226 4.072,1227 2.973,1228 2.989,1229 3.074,1230 2.903,1231 2.836,1232 3.829,1233 2.829,1234 2.745,1235 2.844,1236 2.788,1237 2.603,1238 3.563,1239 2.583,1240 2.68,1241 2.784,1242 2.551,1243 2.448,1244 3.448,1245 2.439,1246 0.203,1247 0.152,1248 0.302,1249 0.186,1250 0.144,1251 4.673,1252 0.199,1253 3.492,1254 0.03,1255 6.939,1256 0.508,1257 4.287,1258 0.141,1259 3.302,1260 4.585,1261 0.68,1262 11.686,1263 3.253,1264 2.095,1265 2.071,1266 2.186,1267 2.179,1268 1.532,1269 2.183,1270 1.88,1271 1.85,1272 1.997,1273 1.967,1274 1.171,1275 1.985,1276 1.47,1277 1.428,1278 1.692,1279 1.607,1280 0.918,1281 1.639,1282 1.269,1283 1.21,1284 1.496,1285 1.464,1286 0.771,1287 1.478,1288 1.15,1289 1.076,1290 1.425,1291 1.357,1292 0.585,1293 1.396,1294 0.968,1295 0.904,1296 1.223,1297 1.209,1298 0.376,1299 1.22,1300 0.753,1301 0.676,1302 1.154,1303 1.003,1304 0.222,1305 1.063,1306 0.712,1307 0.598,1308 1.084,1309 0.99,1310 0.166,1311 1.031,1312 3.85,1314 5.231,1316 6.821,1318 8.518,1320 10.271,1322 2.231,1323 6.079,1326 6.468,1328 3.347,1332 1.172,1340 24.085,1341 51.776,1342 135.941,1343 169.24,1344 179.995,1345 179.995,1346 179.995,1347 25.657,1348 7.456,1349 38.91,1350 38.91,1351 24,1352 12.624,1353 3.7,1354 2.907,1355 26.016,1356 54,1357 50,1358 0.261,1359 148.624,1360 252.79,1361 354.402,1362 15563,1363 2.7,1364 13.853,1365 0.693,1366 0.612,1367 14.353,1368 12.244,1369 9.614,1370 0.418,1371 0.328,1372 7.169,1373 9.211,1374 6.909,1375 5.679,1376 9.903,1377 7.542,1378 9.448,1379 0.27,1380 0.189,1381 9.857,1382 6.598,1383 7.993,1384 0.163,1385 0.1,1386 8.255,1387 4.881,1388 7.551,1389 0.105,1390 0.057,1391 7.786,1392 4.095,1393 6.224,1394 0.063,1395 0.031,1396 6.456,1397 3.05,1398 0.384,1399 61.558,1400 0.255,1401 19.105,1402 0.797,1403 116,1404 245.161,1405 134.6,1406 280.14,1407 387.23,1408 262,1409 142,1410 274.525,1411 155.256,1412 294.045,1413 435.39,1414 278,1415 7.866}
{0 CHEMBL2018160,1 1.401,2 5.462,3 2.102,4 4.419,5 52.139,6 6.97,7 0.786,8 3.312,9 3.427,10 2.843,11 2.854,12 4.39,13 2.825,14 3.805,15 3.988,16 3.129,17 3.191,18 4.787,19 3.152,20 3.915,21 4.086,22 3.159,23 3.325,24 4.89,25 3.248,26 3.986,27 4.205,28 2.884,29 3.262,30 4.875,31 3.116,32 3.926,33 4.21,34 2.439,35 2.99,36 4.674,37 2.768,38 3.512,39 3.833,40 1.967,41 2.396,42 4.192,43 2.187,44 2.923,45 3.186,46 1.413,47 1.873,48 3.714,49 1.738,50 2.571,51 2.859,52 0.622,53 1.657,54 3.178,55 1.346,56 0.016,57 0.338,58 5.453,59 2.33,60 5.554,61 3.107,62 0.114,63 0.529,64 9.886,65 3.509,66 11.423,67 4.748,68 0.078,69 0.594,70 10.692,71 4.324,72 10.647,73 5.854,74 0.078,75 0.611,76 11.817,77 4.808,78 13.011,79 6.687,80 0.128,81 0.524,82 11.781,83 4.667,84 14.361,85 6.673,86 0.069,87 0.325,88 8.073,89 2.867,90 9.92,91 4.148,92 0.104,93 0.178,94 4.535,95 1.206,96 7.562,97 1.621,98 0.012,99 0.128,100 2.821,101 1.197,102 3.359,103 1.749,104 6,105 19,106 0.281,107 0.59,108 0.763,109 0.857,110 0.857,111 0.857,112 2.67,113 0.931,114 -3.28,115 -3.27,116 -3.13,121 44,126 2,144 5,145 1,146 1,147 1,148 1,176 4,180 2,187 4,189 3,192 2,200 4,203 3,206 1,214 2,219 1,221 1,227 1,281 117,282 8.87,283 8.87,284 8.87,285 8.87,286 8.87,287 7.558,288 7.476,289 5.208,290 9.155,291 6.832,292 6.832,293 6.832,294 6.832,295 6.832,296 4.863,297 7.151,298 2.371,299 7.188,300 3.243,301 1.705,302 0.845,303 0.38,304 0.38,305 0.38,306 3.31,311 1,312 1,313 148,314 1.732,318 52.149,322 44.839,325 0.959,326 4.059,329 1,330 0.83,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.85,337 27.5,338 71,339 4.506,340 3.097,341 6.47,342 4.003,343 3.036,344 4.452,345 0.86,346 10.027,347 2.939,348 3.739,349 2.701,350 5.36,351 3.305,352 2.377,353 3.189,355 6.879,356 2.2,357 3.281,358 1.975,359 4.89,360 2.812,361 1.854,362 2.617,364 5.315,365 1.772,366 2.994,367 1.554,368 4.105,369 2.498,370 1.519,371 2.221,373 3.679,374 1.481,375 2.396,376 1.087,377 3.356,378 1.927,379 0.945,380 1.35,382 2.126,383 0.926,384 1.636,385 0.909,386 2.827,387 1.336,388 0.47,389 0.53,391 0.722,392 0.403,393 1.173,394 -0.089,395 2.394,396 0.759,397 -0.214,398 -0.283,400 -0.496,401 -0.208,402 0.905,403 -0.25,404 2.264,405 0.44,406 -0.501,407 -0.675,409 -1.064,410 -0.465,411 0.564,412 -0.79,413 2,414 0.112,415 -0.865,416 -1.214,418 -2.348,419 -0.838,420 0.021,421 -1.072,422 1.407,423 -0.428,424 -1.379,425 -1.734,427 -3.511,428 -1.265,429 -0.176,430 -1.307,431 1.245,432 -0.549,433 -1.443,434 -1.919,436 -3.878,437 -1.315,438 -0.5,439 -1.696,440 0.765,441 -0.878,442 -1.801,443 -2.534,445 -4.992,446 -1.69,447 -0.5,448 -2,449 0.471,450 -1,451 -2,452 -3,454 -5.717,455 -1.94,456 -0.536,457 -2,458 0.446,459 -1.038,460 -2,461 -3,462 -0.86,463 -6.743,464 -2,474 6.233,475 0.479,476 0.277,477 0.021,478 17.75,479 1.365,480 9.5,481 0.731,482 8.25,483 0.635,484 6.921,485 0.532,486 13.867,487 0.555,488 10.066,489 0.774,490 3.776,491 0.29,492 2.533,493 0.195,494 0.16,496 0.305,501 0.892,502 1.377,503 0.825,504 1.153,505 0.908,506 1.006,507 1.569,508 0.818,509 0.909,510 0.681,511 1.099,512 0.701,513 1.087,514 1.146,515 1.058,516 1.085,517 0.96,518 1.069,519 0.824,520 1.181,521 1.2,522 1.265,523 1.012,524 1.272,525 0.509,526 1.009,527 1.002,528 1.135,529 0.915,530 1.137,531 0.89,532 0.899,533 0.773,534 0.898,535 0.754,536 0.84,537 3.089,538 0.474,539 1.594,540 0.544,541 2.431,542 0.836,543 0.182,544 1.383,545 1.335,546 1.573,547 0.993,548 1.594,549 2.5,551 1.556,552 0.875,553 0.747,554 0.264,555 0.101,556 0.028,559 976,560 2247,561 2.037,562 48,564 11,566 1,572 1.487,573 1.902,574 2.524,575 -0.822,579 1,582 35.023,583 1.401,584 2.939,585 3.799,586 4.263,587 4.263,588 4.263,589 1.988,590 3.393,591 3.674,592 2.536,593 197.78,594 6.097,595 1426.71,597 1,600 116.096,601 1.42,602 3.628,603 0.179,605 0.082,606 0.046,607 0.057,608 0.038,609 0.025,610 0.014,613 0.441,614 1,615 1,616 0.985,617 46.354,618 0.031,619 -0.268,620 0.075,621 -0.137,622 -0.042,623 -0.045,624 -0.212,625 0.267,626 0.074,627 0.271,628 -0.036,629 0.22,630 -0.123,631 -0.098,632 -0.136,633 -0.096,634 -0.073,635 -0.115,636 -0.087,637 -0.202,638 -0.286,639 -0.29,640 -0.173,641 -0.306,642 0.199,643 -0.145,644 -0.052,645 -0.173,646 -0.012,647 -0.151,648 0.105,649 -0.084,650 0.242,651 0.026,652 0.306,653 0.131,654 -0.716,655 0.482,656 -0.472,657 0.29,658 -0.694,659 -0.005,660 0.036,661 -0.548,662 -0.445,663 -0.606,664 -0.333,665 -0.589,666 0.765,667 1.653,668 0.769,669 5.846,670 0.992,671 1.12,672 2.048,673 4.193,674 0.666,675 2.708,676 2.996,677 3.258,678 3.466,679 3.664,680 3.611,681 3.497,682 3.296,683 3.178,684 2.303,685 3.37,686 0.625,687 174.24,688 2.708,689 4.205,690 5.043,691 5.905,692 6.763,693 7.632,694 8.494,695 9.365,696 10.227,697 11.099,698 4,708 1,714 2,715 6,720 1,721 1,722 11,739 1,741 25,743 11,744 1,745 14,747 26,748 11,749 9,750 3,751 3,756 2,757 3,772 9,773 2,793 12,794 1,796 2,802 1,803 1,808 0.5,809 1,822 1,829 2,833 1,859 1,864 2,868 13,878 1,893 4,898 1,901 6.833,902 5.167,903 2.972,904 1.417,907 2.378,908 1.425,909 0.974,910 2.086,911 7.976,912 3.02,913 3.676,914 4.331,915 4.945,916 5.538,917 5.784,918 6.043,919 6.285,920 6.545,921 5.689,922 0.75,923 19,924 4.76,925 -0.003,926 1.897,927 0.026,929 7.538,931 9.222,932 -0.001,933 7.178,934 0.001,936 2.038,937 26.5,938 0.011,941 141.253,942 85.669,943 1.899,945 11,948 85.669,949 152.253,950 1.899,951 19.279,953 47.381,954 13.67,955 30.008,957 129.482,959 141.253,960 87.568,961 11,964 141.253,965 11,968 11.192,969 74.477,970 1.899,972 141.253,973 12.899,974 85.669,977 141.253,978 9.961,979 77.607,981 11,982 141.253,983 12.899,984 85.669,986 0.572,987 0.347,988 0.183,989 0.099,990 10,991 4,992 0.038,993 1,994 1,995 1.2,996 2.5,997 79.337,998 0.2,999 10,1000 43.351,1005 8.356,1006 3.246,1007 1.46,1008 2.41,1009 11,1010 12.222,1015 0.902,1016 2.092,1018 239.821,1019 19.5,1031 24.789,1032 27.991,1034 0.302,1035 0.633,1036 0.818,1037 0.918,1038 0.918,1039 0.918,1040 4.201,1041 -0.501,1042 5.017,1043 -0.496,1044 3.664,1045 4.357,1046 0.908,1047 5.808,1048 3.576,1049 5.426,1050 -0.865,1051 6.567,1052 -1.064,1053 3.219,1054 4.227,1056 6.698,1057 3.071,1058 6.743,1059 -1.379,1060 8.218,1061 -2.348,1062 5.231,1063 6.685,1064 0.739,1065 9.771,1066 5.068,1067 8.102,1068 -1.443,1069 9.929,1070 -3.511,1071 5.602,1072 7.394,1074 11.484,1075 5.376,1076 9.494,1077 -1.801,1078 11.677,1079 -3.878,1080 7.088,1081 9.314,1082 0.593,1083 14.076,1084 6.857,1085 10.909,1086 -2,1087 13.452,1088 -4.992,1089 7.849,1090 10.433,1092 16.13,1093 7.566,1094 12.342,1095 -2,1096 15.246,1097 -5.717,1098 9.112,1099 12.117,1100 0.469,1101 18.55,1102 8.82,1103 3.036,1105 17.055,1106 -6.743,1107 10.06,1108 13.436,1110 20.748,1111 9.725,1112 2.377,1113 10.027,1114 18.875,1116 11.23,1117 15.015,1118 0.366,1119 23.1,1120 10.879,1121 1.854,1122 6.879,1123 20.704,1124 4.452,1125 12.265,1126 16.428,1128 25.36,1129 11.876,1130 1.519,1131 5.315,1132 22.54,1133 3.189,1134 13.397,1135 17.959,1136 0.283,1137 27.685,1138 12.986,1139 0.945,1140 3.679,1141 24.383,1142 2.617,1143 14.471,1144 19.416,1146 29.97,1147 14.026,1148 0.47,1149 2.126,1150 26.23,1151 2.221,1152 15.588,1153 20.926,1154 0.217,1155 32.284,1156 15.117,1157 -0.214,1158 0.722,1159 28.08,1160 1.35,1161 16.681,1162 22.403,1164 34.58,1165 16.178,1166 1037,1167 1622,1168 9.246,1169 16.648,1170 20.386,1171 20.829,1172 21.445,1173 20.362,1174 20.404,1175 28.718,1176 1.72,1177 57.495,1178 19.442,1179 5.042,1180 5.097,1181 6.024,1182 5.041,1183 5.036,1184 7.452,1185 1.72,1186 16.77,1187 4.939,1188 5.527,1189 1.456,1190 1.488,1191 1.532,1192 1.454,1193 1.457,1194 2.051,1195 0.123,1196 4.107,1197 1.389,1198 4.106,1199 4.139,1200 4.063,1201 4.017,1202 4.968,1203 4.024,1204 3.552,1205 3.595,1206 3.463,1207 3.397,1208 4.624,1209 3.404,1210 3.218,1211 3.297,1212 3.07,1213 3.055,1214 4.129,1215 3.051,1216 3.178,1217 3.255,1218 2.964,1219 2.91,1220 3.995,1221 2.908,1222 2.805,1223 2.89,1224 2.591,1225 2.654,1226 3.542,1227 2.627,1228 2.597,1229 2.652,1230 2.441,1231 2.487,1232 3.299,1233 2.469,1234 2.334,1235 2.453,1236 2.057,1237 2.096,1238 3.01,1239 2.073,1240 1.644,1241 1.822,1242 1.289,1243 1.256,1244 2.702,1245 1.211,1246 0.322,1247 0.221,1248 0.462,1249 0.286,1250 0.217,1251 4.506,1252 0.318,1253 3.097,1254 0.061,1255 6.47,1256 0.716,1257 4.003,1258 0.21,1259 3.036,1260 4.452,1261 0.86,1262 10.027,1263 2.939,1264 2.062,1265 2.035,1266 2.144,1267 2.173,1268 1.278,1269 2.167,1270 1.508,1271 1.466,1272 1.705,1273 1.711,1274 0.751,1275 1.709,1276 1.225,1277 1.149,1278 1.555,1279 1.462,1280 0.587,1281 1.497,1282 1.155,1283 1.069,1284 1.51,1285 1.408,1286 0.548,1287 1.446,1288 0.841,1289 0.762,1290 1.147,1291 1.04,1292 0.219,1293 1.083,1294 0.61,1295 0.561,1296 0.85,1297 0.77,1299 0.798,1300 0.352,1301 0.24,1302 0.761,1303 0.65,1305 0.698,1308 0.365,1309 0.136,1311 0.225,1312 3.367,1314 4.654,1316 6.172,1318 7.794,1320 9.466,1322 3.721,1330 5.153,1340 15.634,1341 35.023,1342 73.467,1343 94.977,1344 106.587,1345 106.587,1346 106.587,1347 10.396,1348 5.598,1349 13.11,1350 13.11,1351 12,1352 11.643,1353 3.585,1354 2.7,1355 19.103,1356 27,1357 26,1358 0.396,1359 99.117,1360 160.25,1361 233.605,1362 1419,1364 9.259,1365 0.712,1366 0.606,1367 9.259,1368 7.872,1369 6.309,1370 0.451,1371 0.31,1372 4.268,1373 6.045,1374 4.092,1375 3.469,1376 6.309,1377 4.344,1378 5.419,1379 0.285,1380 0.166,1381 5.419,1382 3.162,1383 4.692,1384 0.188,1385 0.092,1386 4.692,1387 2.306,1388 3.753,1389 0.121,1390 0.05,1391 3.753,1392 1.551,1393 2.93,1394 0.077,1395 0.026,1396 2.93,1397 0.999,1398 0.571,1399 39.628,1400 0.329,1401 12.855,1402 1.223,1403 66,1404 170.068,1405 70.96,1406 164.68,1407 230.02,1408 156,1409 77,1410 171.799,1411 82.322,1412 177.314,1413 254.36,1414 165,1415 4.303}
{0 CHEMBL2018161,1 1.315,2 8.316,3 3.686,4 13.584,5 76.752,6 7.153,7 0.81,8 3.643,9 3.752,10 3.199,11 3.253,12 4.717,13 3.216,14 4.136,15 4.294,16 3.494,17 3.61,18 5.129,19 3.554,20 4.333,21 4.52,22 3.529,23 3.737,24 5.256,25 3.644,26 4.395,27 4.623,28 3.375,29 3.695,30 5.246,31 3.565,32 4.358,33 4.608,34 3.278,35 3.627,36 5.184,37 3.48,38 4.211,39 4.454,40 3.168,41 3.503,42 5.064,43 3.365,44 4.07,45 4.302,46 2.916,47 3.339,48 4.937,49 3.187,50 3.88,51 4.153,52 2.495,53 3.025,54 4.649,55 2.82,56 0.027,57 0.444,58 7.216,59 3.273,60 6.978,61 4.309,62 0.112,63 0.733,64 12.929,65 5.203,66 13.767,67 6.834,68 0.105,69 0.892,70 16.008,71 6.665,72 15.1,73 9.02,74 0.123,75 0.951,76 17.745,77 7.189,78 17.256,79 9.967,80 0.162,81 0.89,82 17.533,83 7.318,84 18.209,85 10.242,86 0.09,87 0.758,88 14.972,89 6.397,90 15.557,91 8.847,92 0.114,93 0.658,94 13.045,95 5.339,96 15.847,97 7.242,98 0.055,99 0.53,100 11.031,101 4.75,102 12.4,103 6.653,104 3,105 28,106 0.239,107 0.501,108 0.689,109 0.84,110 0.855,111 0.855,112 3.011,113 0.923,114 -4.6,115 -4.52,116 -4.26,121 48.6,126 1,127 1,144 10,145 2,146 1,147 1,148 1,176 10,180 2,187 10,189 4,192 2,200 7,203 5,206 1,214 5,216 2,219 1,221 1,227 10,229 1,239 12,244 1,251 9,256 2,264 3,269 2,281 414,282 13.301,283 13.301,284 13.301,285 13.301,286 13.301,287 11.29,288 12.695,289 8.05,290 13.577,291 10.342,292 10.342,293 10.342,294 10.342,295 10.342,296 7.369,297 18.209,298 3.776,299 10.703,300 3.814,301 2.368,302 1.335,303 0.5,304 0.422,305 0.422,306 3.697,310 1,311 1,312 1,313 341,314 2.121,318 138.742,322 72.986,325 1.313,326 5.976,328 1,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 39.5,338 158,339 4.525,340 3.16,341 6.528,342 4.035,343 3.071,344 4.463,345 0.86,346 10.302,347 2.963,348 3.929,349 2.825,350 5.527,351 3.54,352 2.559,353 3.471,354 0.522,355 7.451,356 2.518,357 3.711,358 2.573,359 5.271,360 3.269,361 2.323,362 3.174,364 6.685,365 2.182,366 3.297,367 1.98,368 4.923,369 2.835,370 1.873,371 2.634,373 5.468,374 1.798,375 3.008,376 1.569,377 4.169,378 2.521,379 1.536,380 2.241,382 3.772,383 1.51,384 2.869,385 1.487,386 3.601,387 2.406,388 1.414,389 2.031,391 3.044,392 1.4,393 2.5,394 1.086,395 3.379,396 2,397 1,398 1.5,400 2.19,401 1,402 2.401,403 1,404 3.247,405 1.932,406 0.949,407 1.358,409 2.136,410 0.931,411 1.643,412 0.917,413 2.891,414 1.347,415 0.479,416 0.539,418 0.752,419 0.412,420 1.375,421 0.218,422 2.762,423 1.016,424 0.043,425 0.055,427 0.107,428 0.041,429 0.907,430 -0.248,431 2.313,432 0.469,433 -0.494,434 -0.669,436 -1.057,437 -0.462,438 0.896,439 -0.415,440 2.247,441 0.434,442 -0.537,443 -0.741,445 -1.301,446 -0.53,447 0.549,448 -0.815,449 1.952,450 0.087,451 -0.896,452 -1.262,454 -2.347,455 -0.875,456 0.5,457 -1,458 1.555,460 -1,461 -1.5,463 -2.377,464 -1,465 0.21,466 -1.059,467 1.475,468 -0.241,469 -1.221,470 -1.687,472 -3.155,473 -1.183,474 9.233,475 0.486,476 0.307,477 0.016,478 27.25,479 1.434,480 15.5,481 0.816,482 11.75,483 0.618,484 11.148,485 0.587,486 19.267,487 0.55,488 17.005,489 0.895,490 5.694,491 0.3,492 3.67,493 0.193,494 0.054,496 0.26,501 0.875,502 1.182,503 0.805,504 1.019,505 0.863,506 0.923,507 1.511,508 1,509 0.989,510 0.879,511 1.141,512 0.883,513 1.061,514 1.183,515 1.052,516 1.084,517 0.964,518 1.068,519 0.93,520 1.087,521 1.092,522 1.071,523 0.937,524 1.084,525 0.617,526 0.902,527 0.929,528 0.949,529 0.795,530 0.964,531 0.735,532 0.932,533 0.911,534 0.97,535 0.818,536 0.96,537 1.262,538 0.945,539 1.2,540 1.038,541 1.349,542 1.101,543 0.58,544 1.099,545 1.029,546 1.195,547 0.868,548 1.163,549 3,550 0.021,551 1.556,552 0.938,553 0.938,554 0.417,555 0.201,556 0.167,557 0.082,558 0.03,559 3289,560 7435,561 2.145,562 45.7,564 15,566 1,572 1.603,573 2.073,574 3.055,575 -0.879,577 1,579 1,582 46.038,583 1.315,584 2.761,585 3.794,586 4.629,587 4.708,588 4.708,589 2.505,590 3.932,591 4.218,592 3.137,593 536.344,594 7.188,595 5175.03,596 1,597 1,599 1,600 179.525,601 1.105,602 4.207,603 0.143,604 0.007,605 0.056,606 0.033,607 0.041,608 0.02,609 0.011,610 0.012,611 0.01,612 0.006,613 0.338,614 0.83,615 1,616 0.671,617 81.839,618 0.045,619 -0.148,620 0.072,621 -0.061,622 -0.003,623 -0.005,624 -0.171,625 0.051,626 -0.044,627 0.06,628 -0.12,629 0.025,630 -0.078,631 -0.167,632 -0.116,633 -0.132,634 -0.088,635 -0.13,636 -0.077,637 -0.076,638 -0.135,639 -0.119,640 -0.095,641 -0.127,642 0.139,643 0.059,644 0.04,645 0.031,646 0.078,647 0.027,648 0.021,649 0.011,650 0.052,651 0.019,652 0.091,653 0.036,654 -0.195,655 0.018,656 -0.224,657 -0.068,658 -0.28,659 -0.134,660 0.087,661 -0.202,662 -0.049,663 -0.198,664 0.063,665 -0.145,666 0.773,667 1.771,668 0.842,669 12.809,670 0.987,671 1.109,672 3.373,673 11.377,674 0.691,675 3.091,676 3.367,677 3.638,678 3.892,679 4.143,680 4.143,681 4.22,682 4.29,683 4.331,684 4.159,685 4.828,686 0.648,687 250.34,688 3.091,689 4.595,690 5.434,691 6.293,692 7.151,693 8.02,694 8.884,695 9.758,696 10.626,697 11.502,698 2.9,708 1,714 2,715 11,720 2,721 1,722 17,739 1,741 35,743 17,744 2,745 21,747 37,748 17,749 15,750 4,751 8,756 3,757 4,772 15,773 2,790 1,793 16,794 1,796 2,802 1,803 1,808 0.667,809 1,822 1,829 3,833 1,859 2,864 1,868 19,876 1,878 1,893 2.9,898 1,901 9.167,902 6.583,903 4.306,904 2.028,907 3.368,908 1.508,909 1.01,910 3.362,911 9.997,912 3.418,913 4.043,914 4.67,915 5.288,916 5.897,917 6.135,918 6.525,919 6.94,920 7.325,921 7.351,922 0.833,923 28,924 6.977,926 2.855,927 0.026,929 7.482,931 13.642,933 10.984,936 1.982,937 37.667,938 0.002,941 188.338,942 129.945,943 1.899,945 11,948 129.945,949 199.338,950 1.899,951 10.883,952 2.106,953 94.762,954 13.67,955 33.193,957 176.567,959 188.338,960 131.844,961 11,964 188.338,965 11,968 13.297,969 116.647,970 1.899,972 188.338,973 12.899,974 129.945,977 188.338,978 15.252,979 116.592,981 11,982 188.338,983 12.899,984 129.945,986 0.563,987 0.333,988 0.185,989 0.105,990 14,991 5,992 0.081,993 3,994 1,995 1.125,996 3.216,997 139.297,998 0.125,999 16,1000 76.711,1005 12.031,1006 5.309,1007 2.55,1008 2.407,1009 11,1010 22.963,1015 2.195,1016 2.254,1018 331.181,1019 29.5,1031 34.556,1032 38.822,1034 0.256,1035 0.538,1036 0.74,1037 0.902,1038 0.918,1039 0.918,1040 4.598,1041 0.949,1042 5.38,1043 2.19,1044 4.043,1045 4.727,1046 1.106,1047 6.146,1048 3.98,1049 5.797,1050 0.479,1051 6.901,1052 2.136,1053 3.434,1054 4.407,1056 6.952,1057 3.317,1058 7.091,1059 0.043,1060 8.524,1061 0.752,1062 5.58,1063 6.985,1064 0.807,1065 10.057,1066 5.453,1067 8.426,1068 -0.494,1069 10.21,1070 0.107,1071 5.832,1072 7.545,1074 11.736,1075 5.641,1076 9.794,1077 -0.537,1078 11.939,1079 -1.057,1080 7.396,1081 9.538,1082 0.615,1083 14.339,1084 7.203,1085 11.186,1086 -0.896,1087 13.697,1088 -1.301,1089 8.077,1090 10.552,1092 16.389,1093 7.824,1094 12.599,1095 -1,1096 15.477,1097 -2.347,1098 9.381,1099 12.275,1100 0.476,1101 18.82,1102 9.119,1103 3.071,1104 -1.221,1105 17.275,1106 -2.377,1107 10.282,1108 13.529,1110 21.031,1111 9.965,1112 2.559,1113 10.302,1114 19.086,1115 -3.155,1116 11.471,1117 15.126,1118 0.369,1119 23.399,1120 11.137,1121 2.323,1122 7.451,1123 20.908,1124 4.463,1125 12.481,1126 16.503,1128 25.679,1129 12.099,1130 1.873,1131 6.685,1132 22.739,1133 3.471,1134 13.622,1135 18.041,1136 0.284,1137 28.024,1138 13.215,1139 1.536,1140 5.468,1141 24.577,1142 3.174,1143 14.687,1144 19.479,1146 30.333,1147 14.235,1148 1.414,1149 3.772,1150 26.422,1151 2.634,1152 15.81,1153 20.991,1154 0.217,1155 32.67,1156 15.328,1157 1,1158 3.044,1159 28.272,1160 2.241,1161 16.901,1162 22.459,1164 34.992,1165 16.378,1166 3197,1167 4870,1168 14.504,1169 24.171,1170 30.479,1171 30.965,1172 31.263,1173 30.466,1174 30.492,1175 42.93,1176 2.763,1177 83.815,1178 29.508,1179 5.278,1180 5.16,1181 6.33,1182 5.073,1183 5.071,1184 7.463,1185 1.72,1186 17.189,1187 4.963,1188 5.462,1189 1.451,1190 1.475,1191 1.489,1192 1.451,1193 1.452,1194 2.044,1195 0.132,1196 3.991,1197 1.405,1198 4.122,1199 4.155,1200 4.079,1201 4.034,1202 4.97,1203 4.04,1204 3.879,1205 3.908,1206 3.807,1207 3.826,1208 4.747,1209 3.817,1210 3.536,1211 3.574,1212 3.452,1213 3.39,1214 4.601,1215 3.397,1216 3.21,1217 3.273,1218 3.088,1219 3.082,1220 4.125,1221 3.076,1222 3.177,1223 3.255,1224 2.973,1225 2.921,1226 3.936,1227 2.92,1228 2.875,1229 2.939,1230 2.733,1231 2.759,1232 3.674,1233 2.744,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 3.627,1239 2.715,1240 2.618,1241 2.679,1242 2.478,1243 2.51,1244 3.345,1245 2.495,1246 0.215,1247 0.15,1248 0.311,1249 0.192,1250 0.146,1251 4.525,1252 0.213,1253 3.16,1254 0.041,1255 6.528,1256 0.491,1257 4.035,1258 0.141,1259 3.071,1260 4.463,1261 0.86,1262 10.302,1263 2.963,1264 2.073,1265 2.046,1266 2.155,1267 2.183,1268 1.314,1269 2.176,1270 1.888,1271 1.861,1272 2.013,1273 1.966,1274 1.111,1275 1.983,1276 1.494,1277 1.455,1278 1.676,1279 1.685,1280 0.742,1281 1.681,1282 1.214,1283 1.155,1284 1.529,1285 1.436,1286 0.6,1287 1.47,1288 1.155,1289 1.073,1290 1.455,1291 1.381,1292 0.55,1293 1.411,1294 0.894,1295 0.835,1296 1.181,1297 1.062,1298 0.238,1299 1.107,1300 0.886,1301 0.821,1302 1.152,1303 1.06,1304 0.218,1305 1.096,1306 0.631,1307 0.579,1308 0.918,1309 0.809,1310 0.016,1311 0.849,1312 3.761,1314 5.043,1316 6.547,1318 8.149,1320 9.801,1322 1.697,1328 0.879,1330 5.271,1340 22.687,1341 46.038,1342 96.642,1343 132.796,1344 162.015,1345 164.77,1346 164.77,1347 17.888,1348 6.629,1349 13.11,1350 13.11,1351 18,1352 12.043,1353 4.17,1354 3.248,1355 27.772,1356 54,1357 56,1358 0.257,1359 140.495,1360 232.87,1361 334.568,1362 5973,1364 13.079,1365 0.688,1366 0.577,1367 13.079,1368 10.966,1369 9.365,1370 0.446,1371 0.308,1372 6.391,1373 9.111,1374 6.204,1375 5.199,1376 9.365,1377 6.462,1378 7.942,1379 0.284,1380 0.167,1381 7.942,1382 4.667,1383 6.843,1384 0.185,1385 0.092,1386 6.843,1387 3.415,1388 5.708,1389 0.119,1390 0.051,1391 5.708,1392 2.426,1393 4.779,1394 0.077,1395 0.028,1396 4.779,1397 1.709,1398 0.392,1399 57.877,1400 0.263,1401 18.9,1402 0.735,1403 98,1404 234.068,1405 103.293,1406 231.739,1407 326.17,1408 220,1409 114,1410 244.081,1411 119.822,1412 252.604,1413 363.76,1414 237,1415 5.277}
{0 CHEMBL2018162,1 1.389,2 12.94,3 7.746,4 59.994,5 196.344,6 6.637,7 0.345,8 4.717,9 4.842,10 4.206,11 4.27,12 5.642,13 4.226,14 5.363,15 5.546,16 4.654,17 4.782,18 6.211,19 4.713,20 5.732,21 5.936,22 4.906,23 5.094,24 6.524,25 5.001,26 6.01,27 6.235,28 5.028,29 5.254,30 6.849,31 5.144,32 6.105,33 6.344,34 5.045,35 5.297,36 6.94,37 5.178,38 6.134,39 6.381,40 4.957,41 5.288,42 7.005,43 5.154,44 6.07,45 6.334,46 4.822,47 5.211,48 6.891,49 5.049,50 5.925,51 6.205,52 4.653,53 5.055,54 6.69,55 4.886,56 0.086,57 1.474,58 24.3,59 10.407,60 15.462,61 14.316,62 0.56,63 2.637,64 48.152,65 18.707,66 52.293,67 26.438,68 0.382,69 3.744,70 69.281,71 27.574,72 45.407,73 39.271,74 1.139,75 4.65,76 94.249,77 34.583,78 103.066,79 49.325,80 0.896,81 4.965,82 103.829,83 38.18,84 95.381,85 54.254,86 1.22,87 4.981,88 108.158,89 38.646,90 149.701,91 54.739,92 0.947,93 4.674,94 100.366,95 37.52,96 124.205,97 54.038,98 0.669,99 4.009,100 86.497,101 32.903,102 98.21,103 47.711,104 70,105 90,106 0.2,107 0.499,108 0.75,109 0.85,110 0.875,111 0.892,112 3.935,113 0.991,114 -5.61,115 -5.48,116 -5.12,121 41.2,122 2,123 7,124 6,125 1,126 3,127 3,129 2,144 7,145 5,154 4,160 2,176 25,179 2,180 11,185 8,187 30,192 11,197 9,200 33,205 4,206 17,209 3,211 8,214 37,219 17,222 1,224 6,227 37,232 17,236 1,237 5,239 37,244 14,247 2,249 6,251 34,256 10,261 5,264 28,269 8,272 3,274 4,277 26,281 4984,282 34.587,283 34.587,284 34.587,285 34.587,286 34.587,287 32.141,288 36.482,289 19.275,290 35.185,291 28.369,292 28.369,293 28.369,294 28.369,295 28.369,296 24.317,297 45.812,298 8.739,299 29.081,300 5.283,301 3.213,302 1.472,303 0.782,304 0.606,305 0.488,306 4.668,313 1469,314 4.743,317 123.96,318 531.382,319 97.708,320 109.332,321 373.005,322 270.983,323 470.76,324 163.455,325 1.679,326 48.864,329 0.5,330 0.67,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.82,337 106,338 647,339 4.929,340 4.291,341 8.318,342 4.797,343 3.809,344 4.649,345 2.491,346 16.666,347 3.763,348 4.678,349 3.866,350 7.025,351 4.354,352 3.368,353 4.583,354 2.443,355 12.051,356 3.321,357 4.487,358 3.521,359 6.854,360 4.155,361 3.172,362 3.893,363 0.8,364 11.417,365 3.119,366 4.299,367 3.343,368 6.75,369 4.084,370 3.099,371 3.457,372 0.8,373 10.974,374 3.053,375 4.017,376 3.176,377 6.38,378 3.771,379 2.783,380 3.336,381 0.68,382 9.593,383 2.752,384 3.794,385 3.1,386 6.301,387 3.668,388 2.69,389 2.978,390 0.473,391 9.308,392 2.627,393 3.582,394 2.984,395 5.917,396 3.416,397 2.426,398 2.843,399 0.286,400 8.11,401 2.399,402 3.548,403 2.651,404 5.625,405 3.316,406 2.361,407 2.638,409 7.163,410 2.243,411 3.462,412 2.53,413 5.598,414 3.167,415 2.187,416 2.626,418 6.993,419 2.139,420 3.244,421 2.334,422 5.387,423 3.125,424 2.132,425 2.45,427 6.763,428 2.117,429 3.179,430 2.203,431 5.349,432 3.023,433 2.059,434 2.382,436 6.286,437 1.975,438 3.135,439 2.149,440 5.214,441 2.862,442 1.886,443 2.348,445 6.109,446 1.833,447 3.122,448 2.063,449 5.044,450 2.716,451 1.753,452 2.138,454 5.244,455 1.671,456 3.054,457 1.98,458 4.878,459 2.644,460 1.678,461 2.074,463 5.062,464 1.617,465 2.875,466 1.772,467 4.651,468 2.588,469 1.615,470 2.026,472 4.453,473 1.558,474 23.933,475 0.479,476 1.385,477 0.028,478 52,479 1.04,480 19,481 0.38,482 33,483 0.66,484 76.572,485 1.531,486 55.267,487 0.542,488 47.968,489 0.959,490 8.831,491 0.177,492 15.472,493 0.309,494 0.132,495 0.021,496 0.43,501 0.768,502 1.309,503 0.874,504 1.138,505 0.562,506 1.032,507 0.856,508 1.029,509 0.904,510 0.91,511 0.517,512 0.906,513 0.727,514 1.197,515 0.934,516 1.1,517 0.65,518 1.044,519 1.037,520 1.041,521 1.039,522 1.024,523 1.179,524 1.029,525 1.122,526 1.078,527 1.017,528 1.061,529 1.115,530 1.031,531 1.4,532 0.947,533 1.118,534 0.959,535 1.393,536 1.001,537 0.901,538 1.018,539 1.026,540 1.042,541 0.903,542 1.048,543 0.728,544 0.963,545 0.902,546 0.968,547 0.74,548 0.958,549 10.5,550 0.578,551 7.333,552 5.708,553 4.77,554 3.442,555 2.261,556 1.31,557 0.832,558 0.684,559 43198,560 84415,561 2.182,562 51,563 17,564 24,567 2,568 2,569 7,572 1.858,573 2.02,574 3.591,575 0.007,582 141.687,583 1.389,584 3.459,585 5.2,586 5.89,587 6.067,588 6.184,589 2.905,590 5.324,591 5.622,592 3.811,593 4668.5,594 10.035,595 86223.7,600 680.587,601 1.561,602 5.566,603 0.181,604 0.008,605 0.081,606 0.051,607 0.039,608 0.028,609 0.02,610 0.014,611 0.01,612 0.009,613 0.442,614 0.17,615 0.63,616 0.987,617 291.206,618 0.004,619 -0.079,620 0.085,621 0.002,622 0.016,623 0.045,624 0.075,625 0.118,626 0.079,627 0.152,628 0.094,629 0.123,630 -0.002,631 -0.087,632 0.027,633 -0.041,634 0.022,635 -0.009,636 0.038,637 0.019,638 -0.039,639 -0.017,640 -0.044,641 -0.036,642 -0.046,643 -0.06,644 -0.018,645 -0.061,646 -0.036,647 -0.039,648 -0.164,649 0.048,650 -0.103,651 0.023,652 -0.106,653 -0.025,654 -0.015,655 -0.04,656 -0.048,657 -0.049,658 0.001,659 -0.052,660 0.008,661 -0.009,662 0.061,663 0.025,664 0.006,665 0.045,666 1.919,667 7.13,668 0.74,669 51.373,670 0.989,671 1.125,672 4.383,673 19.214,674 0.648,675 4.078,676 4.511,677 4.949,678 5.366,679 5.737,680 6.009,681 6.299,682 6.564,683 6.809,684 7.049,685 7.973,686 0.604,687 676.98,688 4.078,689 5.694,690 6.629,691 7.587,692 8.544,693 9.51,694 10.473,695 11.441,696 12.407,697 13.377,698 3.9,701 2,706 2,714 4,715 7,717 2,720 5,722 20,741 102,743 22,744 2,745 58,747 110,748 42,749 16,750 5,751 7,756 9,757 28,763 2,764 1,766 1,767 7,768 6,770 9,772 18,773 24,774 6,777 2,782 2,786 2,793 52,794 6,795 2,796 8,802 4,808 0.222,809 4,824 2,828 2,829 6,830 1,831 1,832 3,833 2,834 3,835 1,846 2,855 2,859 2,864 5,868 50,876 10,878 2,880 8,881 2,882 1,893 3.9,896 2,898 2,901 24.75,902 19.567,903 10.792,904 6.897,907 4.284,908 1.372,909 0.994,910 8.115,911 15.796,912 4.263,913 4.887,914 5.536,915 6.181,916 6.753,917 7.226,918 7.762,919 8.272,920 8.669,921 9.159,922 1,923 113,924 18.82,926 8.589,927 0.026,929 7.485,931 37.498,933 34.533,936 1.985,937 99.25,941 588.555,942 177.093,943 39.82,945 72.29,948 177.093,949 660.845,950 39.82,951 47.813,952 24.059,953 66.334,954 64.673,955 76.522,956 9.802,957 588.555,959 588.555,960 216.912,961 72.29,964 506.157,965 154.687,968 81.529,969 135.383,972 588.555,973 112.109,974 177.093,977 588.555,978 62.946,979 120.395,980 33.571,981 72.29,982 588.555,983 112.109,984 177.093,986 0.596,987 0.387,988 0.232,989 0.139,990 51,991 23,992 0.064,993 7,994 11,995 1.486,996 5.127,997 667.193,998 0.595,999 33,1000 280.193,1005 32.913,1006 12.327,1007 4.757,1008 4.732,1009 78.538,1010 15.663,1012 7.85,1015 6.245,1017 33.571,1018 877.757,1019 70,1024 27.848,1028 -0.158,1031 100.923,1032 114.796,1034 0.208,1035 0.518,1036 0.779,1037 0.883,1038 0.909,1039 0.927,1040 5.598,1041 2.361,1042 6.673,1043 8.11,1044 5.198,1045 5.576,1046 3.213,1047 7.654,1048 5.155,1049 6.819,1050 2.187,1051 8.337,1052 7.163,1053 5.017,1054 5.551,1055 2.924,1056 8.988,1057 4.968,1058 8.173,1059 2.132,1060 10.11,1061 6.993,1062 6.971,1063 7.792,1064 4.585,1065 12.203,1066 6.899,1067 9.56,1068 2.059,1069 11.952,1070 6.763,1071 7.631,1072 8.623,1073 5.004,1074 14.455,1075 7.553,1076 10.986,1077 1.886,1078 13.843,1079 6.286,1080 9.096,1081 10.393,1082 6.24,1083 17.3,1084 9.002,1085 12.439,1086 1.753,1087 15.771,1088 6.109,1089 10.122,1090 11.61,1091 6.922,1092 19.91,1093 10.021,1094 13.914,1095 1.678,1096 17.73,1097 5.244,1098 11.44,1099 13.218,1100 7.982,1101 22.694,1102 11.326,1103 3.809,1104 1.615,1105 19.715,1106 5.062,1107 12.622,1108 14.606,1109 8.779,1110 25.431,1111 12.498,1112 3.368,1113 16.666,1114 21.722,1115 4.453,1116 13.906,1117 16.157,1118 9.758,1119 28.219,1120 13.77,1121 3.172,1122 12.051,1123 23.747,1124 4.649,1125 15.153,1126 17.621,1127 10.61,1128 31.002,1129 15.007,1130 3.099,1131 11.417,1132 25.788,1133 4.583,1134 16.439,1135 19.152,1136 11.551,1137 33.8,1138 16.281,1139 2.783,1140 10.974,1141 27.842,1142 3.893,1143 17.718,1144 20.65,1145 12.429,1146 36.6,1147 17.549,1148 2.69,1149 9.593,1150 29.907,1151 3.457,1152 19.013,1153 22.175,1154 13.351,1155 39.406,1156 18.832,1157 2.426,1158 9.308,1159 31.982,1160 3.336,1161 20.309,1162 23.689,1163 14.243,1164 42.213,1165 20.118,1166 38956,1167 54601,1168 39.013,1169 66.114,1170 90.637,1171 92.843,1172 96.951,1173 89.764,1174 89.874,1175 107.553,1176 15.946,1177 291.317,1178 87.752,1179 5.929,1180 6.291,1181 7.998,1182 5.849,1183 5.809,1184 7.649,1185 4.241,1186 25.425,1187 5.763,1188 26.3,1189 1.563,1190 1.601,1191 1.672,1192 1.548,1193 1.55,1194 1.854,1195 0.275,1196 5.023,1197 1.513,1198 4.24,1199 4.273,1200 4.195,1201 4.159,1202 7.434,1203 4.163,1204 4.127,1205 4.16,1206 4.086,1207 4.044,1208 7.43,1209 4.05,1210 3.955,1211 3.996,1212 3.878,1213 3.865,1214 4.986,1215 3.862,1216 3.926,1217 3.971,1218 3.841,1219 3.814,1220 4.904,1221 3.813,1222 3.607,1223 3.655,1224 3.513,1225 3.51,1226 4.522,1227 3.503,1228 3.539,1229 3.596,1230 3.409,1231 3.402,1232 4.511,1233 3.39,1234 3.497,1235 3.554,1236 3.408,1237 3.333,1238 4.407,1239 3.327,1240 3.467,1241 3.517,1242 3.333,1243 3.261,1244 4.373,1245 3.269,1246 0.085,1247 0.074,1248 0.143,1249 0.083,1250 0.066,1251 4.929,1252 0.08,1253 4.291,1254 0.043,1255 8.318,1256 0.287,1257 4.797,1258 0.065,1259 3.809,1260 4.649,1261 2.491,1262 16.666,1263 3.763,1264 2.022,1265 1.995,1266 2.154,1267 2.138,1268 1.608,1269 2.145,1270 1.999,1271 1.962,1272 2.145,1273 2.12,1274 1.573,1275 2.13,1276 1.943,1277 1.919,1278 2.04,1279 2.029,1280 1.288,1281 2.034,1282 1.893,1283 1.858,1284 2.017,1285 1.993,1286 1.214,1287 2.002,1288 1.685,1289 1.641,1290 1.855,1291 1.841,1292 1.166,1293 1.843,1294 1.604,1295 1.552,1296 1.819,1297 1.772,1298 1.085,1299 1.791,1300 1.519,1301 1.452,1302 1.812,1303 1.72,1304 1.065,1305 1.754,1306 1.476,1307 1.418,1308 1.695,1309 1.689,1310 0.946,1311 1.695,1312 4.762,1314 6.168,1315 3.045,1316 7.787,1317 5.587,1318 9.512,1319 7.854,1320 11.296,1322 9.873,1328 9.815,1330 11.27,1332 1.73,1333 5.051,1334 -0.669,1340 61.588,1341 141.687,1342 352.836,1343 530.432,1344 600.813,1345 618.813,1346 630.813,1347 103.465,1348 11.511,1349 90.66,1350 90.66,1351 55,1352 13.855,1353 4.524,1354 3.7,1355 62.216,1356 244,1357 226,1358 0.125,1359 360.996,1360 633.08,1361 872.591,1362 2121340,1364 34.474,1365 0.689,1366 0.605,1367 34.474,1368 30.259,1369 24.303,1370 0.419,1371 0.33,1372 18.947,1373 23.553,1374 18.383,1375 15.119,1376 24.303,1377 19.156,1378 22.577,1379 0.251,1380 0.182,1381 22.577,1382 16.354,1383 21.583,1384 0.154,1385 0.102,1386 21.583,1387 14.27,1388 19.774,1389 0.093,1390 0.057,1391 19.774,1392 12.213,1393 18.082,1394 0.059,1395 0.033,1396 18.082,1397 10.231,1398 0.192,1399 151.253,1400 0.16,1401 41.253,1402 0.36,1403 296,1404 656.898,1405 315.01,1406 632.451,1407 892.29,1408 598,1409 378,1410 674.448,1411 399.457,1412 688.821,1413 1038.58,1414 649,1415 7.149}
{0 CHEMBL2019030,1 1.387,2 18.846,3 7.37,4 54.312,5 157.765,6 6.74,7 0.395,8 4.422,9 4.547,10 3.905,11 3.991,12 5.404,13 3.943,14 5.002,15 5.185,16 4.235,17 4.397,18 5.941,19 4.313,20 5.33,21 5.579,22 4.333,23 4.527,24 6.231,25 4.417,26 5.31,27 5.557,28 4.257,29 4.478,30 6.242,31 4.365,32 5.28,33 5.527,34 4.155,35 4.458,36 6.23,37 4.323,38 5.288,39 5.551,40 4.003,41 4.441,42 6.082,43 4.271,44 5.29,45 5.574,46 3.87,47 4.38,48 6.031,49 4.185,50 5.199,51 5.493,52 3.743,53 4.276,54 5.893,55 4.074,56 0.063,57 1.079,58 17.623,59 7.785,60 8.201,61 10.591,62 0.203,63 1.807,64 32.76,65 13.434,66 25.72,67 18.756,68 0.518,69 2.31,70 47.698,71 17.482,72 59.899,73 25.129,74 0.569,75 2.272,76 47.145,77 16.451,78 66.599,79 23.671,80 0.573,81 2.191,82 45.552,83 16.409,84 85.529,85 23.579,86 0.382,87 2.171,88 45.685,89 17.345,90 52.391,91 24.86,92 0.404,93 2.109,94 46.223,95 17.427,96 55.1,97 25.126,98 0.371,99 1.909,100 42.293,101 15.985,102 47.512,103 23.138,104 5,105 57,106 0.212,107 0.509,108 0.651,109 0.782,110 0.846,111 0.874,112 3.692,113 1.023,114 -5.06,115 -4.95,116 -4.64,121 42.3,123 12,127 2,137 1,140 1,144 8,145 3,146 2,148 2,159 1,160 1,176 19,180 9,183 1,185 4,187 20,191 1,192 8,195 1,197 5,200 14,205 1,206 6,209 1,211 6,214 14,218 1,219 5,222 1,224 6,227 17,232 5,237 4,239 17,244 5,249 3,251 16,256 4,261 2,264 15,269 4,274 2,277 16,281 3188,282 27.139,283 27.139,284 27.139,285 27.139,286 27.139,287 24.709,288 24.329,289 16.823,290 27.367,291 21.319,292 21.319,293 21.319,294 21.319,295 21.319,296 17.43,297 26.687,298 8.09,299 21.684,300 4.899,301 2.953,302 2.025,303 1.167,304 0.744,305 0.564,306 4.404,312 1,313 1628,314 4.416,318 575.377,322 582.127,325 2.805,326 33.561,329 0.75,330 0.67,331 0.67,332 0.9,333 0.5,334 0.67,335 0.5,336 0.66,337 82.5,338 735,339 4.64,340 3.692,341 6.829,342 4.207,343 3.226,344 4.564,345 1.058,346 11.348,347 3.162,348 4.44,349 3.464,350 6.511,351 4.07,352 3.088,353 4.023,354 0.86,355 10.197,356 3.036,357 3.981,358 3.361,359 5.982,360 3.606,361 2.612,362 3.437,363 0.4,364 8.37,365 2.58,366 3.914,367 2.819,368 5.954,369 3.524,370 2.532,371 3.367,373 8.296,374 2.512,375 3.522,376 2.669,377 5.381,378 3.136,379 2.182,380 2.893,382 6.711,383 2.08,384 3.421,385 2.356,386 5.063,387 3.02,388 2.013,389 2.652,391 5.788,392 2.012,393 3.004,394 2.163,395 4.343,396 2.93,397 1.935,398 2.142,400 4.215,401 1.925,402 2.943,403 1.954,404 4.116,405 2.752,406 1.773,407 2.107,409 3.857,410 1.736,411 2.922,412 1.835,413 3.989,414 2.561,415 1.597,416 1.951,418 3.535,419 1.53,420 2.829,421 1.669,422 3.897,423 2.511,424 1.523,425 1.874,427 3.329,428 1.5,429 2.73,430 1.524,431 3.749,432 2.413,433 1.428,434 1.736,436 3.277,437 1.402,438 2.601,439 1.476,440 3.655,441 2.345,442 1.347,443 1.624,445 3.022,446 1.343,447 2.497,448 1.44,449 3.594,450 2.27,451 1.284,452 1.492,454 2.902,455 1.262,456 2.481,457 1.35,458 3.584,459 2.242,460 1.247,461 1.456,463 2.848,464 1.24,465 2.413,466 1.311,467 3.543,468 2.073,469 1.08,470 1.324,472 2.462,473 1.068,474 18.7,475 0.479,476 0.64,477 0.016,478 45.5,479 1.167,480 21.5,481 0.551,482 24,483 0.615,484 40.295,485 1.033,486 42.5,487 0.545,488 32.687,489 0.838,490 8.019,491 0.206,492 11.184,493 0.287,494 0.036,496 0.267,501 0.722,502 1.215,503 0.881,504 1.099,505 0.533,506 1.017,507 0.718,508 1.253,509 0.967,510 1.184,511 0.526,512 1.113,513 0.843,514 1.004,515 0.833,516 0.919,517 0.706,518 0.878,519 1.122,520 1.006,521 0.992,522 0.949,523 1.016,524 0.947,525 1.02,526 1.006,527 1.067,528 1.001,529 0.919,530 1.027,531 0.912,532 1.048,533 1.096,534 1.087,535 0.912,536 1.107,537 0.869,538 0.971,539 1.041,540 1.02,541 0.914,542 1.046,543 0.803,544 0.908,545 0.989,546 0.963,547 0.817,548 0.992,549 4.5,550 0.12,551 3.556,552 2.188,553 2.147,554 0.847,555 0.443,556 0.276,557 0.188,558 0.148,559 34485,560 76166,561 2.142,562 50,563 18,564 13,567 2,568 2,569 4,572 1.781,573 2.071,574 4.071,575 0.06,582 108.156,583 1.387,584 3.332,585 4.26,586 5.118,587 5.542,588 5.721,589 3.399,590 4.599,591 5.267,592 4.379,593 3244.68,594 9.202,595 65631,600 490.261,601 1.09,602 5.245,603 0.105,604 0.004,605 0.062,606 0.036,607 0.039,608 0.017,609 0.011,610 0.008,611 0.006,612 0.005,613 0.293,614 0.17,615 0.63,616 0.355,617 229.682,618 -0.012,619 -0.025,620 0.051,621 0.014,622 0.017,623 0.037,624 0.065,625 -0.15,626 -0.015,627 -0.129,628 0.088,629 -0.089,630 0.141,632 0.157,633 0.063,634 0.12,635 0.105,636 0.026,637 0.02,638 0.018,639 0.01,640 0.041,641 0.015,642 0.026,643 0.012,644 -0.071,645 -0.029,646 0.125,647 -0.054,648 -0.076,649 -0.069,650 -0.124,651 -0.099,652 -0.05,653 -0.114,654 -0.056,655 -0.033,656 -0.068,657 -0.044,658 -0.054,659 -0.055,660 -0.04,661 0.017,662 -0.019,663 0.011,664 -0.049,665 0.001,666 1.994,667 5.375,668 0.615,669 49.776,670 0.99,671 1.123,672 3.826,673 14.639,674 0.655,675 3.784,676 4.06,677 4.344,678 4.615,679 4.875,680 4.92,681 5.017,682 5.063,683 5.1,684 4.92,685 11.516,686 0.611,687 525.75,688 3.784,689 5.303,690 6.146,691 7.009,692 7.875,693 8.751,694 9.628,695 10.512,696 11.396,697 12.284,698 3.8,703 1,705 1,708 1,714 2,715 8,716 1,720 5,722 17,727 1,734 1,739 1,741 78,743 20,744 2,745 43,747 82,748 33,749 15,750 4,751 8,752 4,756 5,757 9,767 4,770 12,772 19,773 14,777 3,782 2,784 1,786 3,793 39,794 6,795 2,796 6,802 3,808 0.4,809 3,822 1,829 5,833 3,843 1,849 2,859 2,868 39,876 14,877 2,878 1,893 3.8,896 2,898 1,901 18.833,902 13.7,903 8.778,904 5.496,907 3.649,908 1.431,909 0.992,910 9.665,911 12.121,912 4.016,913 4.554,914 5.143,915 5.714,916 6.289,917 6.557,918 6.909,919 7.203,920 7.476,921 7.283,922 0.917,923 61,924 14.553,926 6.185,927 0.026,929 7.581,931 28.674,933 24.072,936 2.081,937 81.167,941 435.531,942 156.839,943 52.807,945 61.29,948 156.839,949 496.821,950 52.807,952 52.637,953 85.286,954 100.168,955 32.845,957 435.531,959 435.531,960 209.646,961 61.29,964 388.446,965 108.374,968 57.537,969 102.592,970 49.516,972 435.531,973 114.097,974 156.839,977 435.531,978 71.553,979 85.286,980 36.022,981 78.075,982 435.531,983 114.097,984 156.839,986 0.562,987 0.329,988 0.186,989 0.106,990 25,991 10,992 0.159,993 13,994 3,995 1.25,996 5.277,997 353.47,998 0.25,999 24,1000 206.131,1005 27.4,1006 13.757,1007 7.078,1008 2.372,1009 114.097,1010 15.515,1011 4.94,1015 4.993,1017 36.022,1018 706.466,1019 54.5,1024 24.557,1026 1.278,1028 -0.445,1031 77.192,1032 87.597,1034 0.221,1035 0.53,1036 0.678,1037 0.814,1038 0.882,1039 0.91,1040 5.238,1041 1.773,1042 6.089,1043 4.215,1044 4.745,1045 5.242,1046 1.617,1047 6.874,1048 4.71,1049 6.403,1050 1.597,1051 7.621,1052 3.857,1053 4.111,1054 4.977,1056 7.743,1057 4.069,1058 7.692,1059 1.523,1060 9.266,1061 3.535,1062 6.29,1063 7.414,1064 1.538,1065 10.906,1066 6.218,1067 9.024,1068 1.428,1069 10.983,1070 3.329,1071 6.581,1072 8.078,1074 12.684,1075 6.499,1076 10.399,1077 1.347,1078 12.749,1079 3.277,1080 8.15,1081 9.953,1082 1.532,1083 15.339,1084 8.043,1085 11.804,1086 1.284,1087 14.547,1088 3.022,1089 8.899,1090 11.05,1092 17.473,1093 8.777,1094 13.232,1095 1.247,1096 16.367,1097 2.902,1098 10.211,1099 12.699,1100 1.557,1101 19.961,1102 10.068,1103 3.226,1104 1.08,1105 18.204,1106 2.848,1107 11.18,1108 14.003,1110 22.245,1111 11.018,1112 3.088,1113 11.348,1114 20.053,1115 2.462,1116 12.387,1117 15.56,1118 1.603,1119 24.676,1120 12.206,1121 2.612,1122 10.197,1123 21.911,1124 4.564,1125 13.456,1126 16.965,1128 27.027,1129 13.255,1130 2.532,1131 8.37,1132 23.777,1133 4.023,1134 14.625,1135 18.486,1136 1.663,1137 29.441,1138 14.404,1139 2.182,1140 8.296,1141 25.648,1142 3.437,1143 15.74,1144 19.941,1146 31.823,1147 15.499,1148 2.013,1149 6.711,1150 27.524,1151 3.367,1152 16.896,1153 21.449,1154 1.734,1155 34.234,1156 16.635,1157 1.935,1158 5.788,1159 29.404,1160 2.893,1161 18.032,1162 22.93,1164 36.633,1165 17.75,1166 31610,1167 47346,1168 29.701,1169 51.086,1170 62.745,1171 65.037,1172 63.708,1173 62.453,1174 62.444,1175 78.644,1176 4.637,1177 170.976,1178 61.412,1179 5.62,1180 5.692,1181 6.774,1182 5.302,1183 5.226,1184 7.564,1185 2.117,1186 18.879,1187 5.162,1188 12.652,1189 1.459,1190 1.512,1191 1.482,1192 1.452,1193 1.452,1194 1.829,1195 0.108,1196 3.976,1197 1.428,1198 4.117,1199 4.148,1200 4.076,1201 4.043,1202 7.435,1203 4.047,1204 3.987,1205 3.998,1206 3.95,1207 3.897,1208 7.423,1209 3.906,1210 3.809,1211 3.871,1212 3.657,1213 3.689,1214 4.974,1215 3.671,1216 3.732,1217 3.781,1218 3.617,1219 3.649,1220 4.854,1221 3.635,1222 3.691,1223 3.756,1224 3.574,1225 3.539,1226 4.413,1227 3.535,1228 3.584,1229 3.632,1230 3.458,1231 3.445,1232 4.384,1233 3.447,1234 3.45,1235 3.512,1236 3.301,1237 3.291,1238 4.273,1239 3.281,1240 3.301,1241 3.367,1242 3.177,1243 3.153,1244 4.201,1245 3.145,1246 0.108,1247 0.086,1248 0.159,1249 0.098,1250 0.075,1251 4.64,1252 0.106,1253 3.692,1254 0.025,1255 6.829,1256 0.264,1257 4.207,1258 0.074,1259 3.226,1260 4.564,1261 1.058,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.44,1269 2.163,1270 1.935,1271 1.924,1272 2.062,1273 2.044,1274 1.421,1275 2.034,1276 1.815,1277 1.754,1278 2.019,1279 1.972,1280 1.286,1281 2.004,1282 1.754,1283 1.709,1284 1.952,1285 1.876,1286 1.15,1287 1.904,1288 1.689,1289 1.624,1290 1.94,1291 1.871,1292 1.104,1293 1.897,1294 1.549,1295 1.513,1296 1.774,1297 1.746,1298 1.065,1299 1.755,1300 1.446,1301 1.384,1302 1.632,1303 1.628,1304 0.825,1305 1.638,1306 1.29,1307 1.228,1308 1.541,1309 1.494,1310 0.753,1311 1.513,1312 4.466,1314 5.753,1316 7.249,1318 8.858,1320 10.532,1328 15.7,1329 6.652,1330 5.604,1340 47.691,1341 108.156,1342 259.907,1343 332.313,1344 399.242,1345 432.261,1346 446.261,1347 77.626,1348 8.472,1349 84.23,1350 84.23,1351 30,1352 12.816,1353 4.392,1354 3.644,1355 62.493,1356 284,1357 207,1358 0.102,1359 290.521,1360 515.29,1361 700.631,1362 89185,1364 26.865,1365 0.689,1366 0.584,1367 26.865,1368 22.768,1369 19.204,1370 0.447,1371 0.341,1372 14.549,1373 18.754,1374 14.301,1375 11.876,1376 19.204,1377 14.66,1378 16.324,1379 0.286,1380 0.186,1381 16.324,1382 10.618,1383 13.872,1384 0.183,1385 0.102,1386 13.872,1387 7.719,1388 11.696,1389 0.117,1390 0.056,1391 11.696,1392 5.603,1393 9.856,1394 0.076,1395 0.031,1396 9.856,1397 4.088,1398 0.175,1399 118.509,1400 0.183,1401 36.986,1402 0.247,1403 200,1404 505.517,1405 214.021,1406 490.693,1407 680.34,1408 462,1409 233,1410 506.743,1411 247.799,1412 510.792,1413 753.57,1414 486,1415 7.757}
{0 CHEMBL2019032,1 1.473,2 19.425,3 8.034,4 64.547,5 162.57,6 7.182,7 0.386,8 4.426,9 4.547,10 3.961,11 4.007,12 5.42,13 3.959,14 5.007,15 5.185,16 4.315,17 4.418,18 5.969,19 4.334,20 5.336,21 5.578,22 4.411,23 4.552,24 6.261,25 4.442,26 5.315,27 5.557,28 4.344,29 4.497,30 6.274,31 4.386,32 5.283,33 5.527,34 4.241,35 4.477,36 6.247,37 4.345,38 5.294,39 5.55,40 4.156,41 4.467,42 6.116,43 4.302,44 5.3,45 5.572,46 4.048,47 4.424,48 6.078,49 4.232,50 5.213,51 5.49,52 3.9,53 4.326,54 5.963,55 4.123,56 0.046,57 1.068,58 16.853,59 7.692,60 7.538,61 10.318,62 0.18,63 1.791,64 32.637,65 13.519,66 26.606,67 18.545,68 0.535,69 2.291,70 50.925,71 18.061,72 64.077,73 25.295,74 0.614,75 2.256,76 49.624,77 16.863,78 72.449,79 23.716,80 0.574,81 2.182,82 46.815,83 16.784,84 87.602,85 23.608,86 0.425,87 2.153,88 48.431,89 17.772,90 57.604,91 25.002,92 0.455,93 2.082,94 52.191,95 18.285,96 62.497,97 25.555,98 0.457,99 1.874,100 50.557,101 16.994,102 58.552,103 23.68,104 10,105 59,106 0.225,107 0.526,108 0.671,109 0.794,110 0.846,111 0.874,112 3.716,113 1.032,114 -5.51,115 -5.38,116 -5.03,121 42.3,123 12,127 2,137 1,140 1,144 7,145 3,146 3,148 2,159 1,160 1,176 17,180 9,183 1,185 4,187 21,191 1,192 7,195 1,197 5,200 14,205 1,206 7,209 1,211 6,214 15,218 1,219 5,222 1,224 5,227 15,232 5,237 5,239 17,244 5,249 3,251 16,256 4,261 2,264 16,269 4,274 2,277 16,281 3414,282 27.587,283 27.587,284 27.587,285 27.587,286 27.587,287 25.132,288 25.93,289 16.96,290 27.95,291 21.802,292 21.802,293 21.802,294 21.802,295 21.802,296 17.842,297 27.328,298 8.17,299 22.434,300 4.813,301 2.839,302 1.892,303 1.09,304 0.744,305 0.564,306 4.427,308 1,313 1714,314 4.472,318 590.838,322 597.058,325 2.79,326 36.908,329 0.5,330 0.67,331 0.67,332 0.9,333 0.5,334 0.67,335 0.5,336 0.63,337 84.833,338 777,339 4.651,340 3.692,341 6.833,342 4.214,343 3.235,344 4.582,345 1.058,346 11.364,347 3.165,348 4.44,349 3.464,350 6.511,351 4.07,352 3.088,353 4.023,354 0.86,355 10.197,356 3.036,357 3.99,358 3.373,359 6.004,360 3.606,361 2.612,362 3.534,363 0.4,364 8.477,365 2.58,366 3.981,367 2.943,368 5.954,369 3.58,370 2.61,371 3.367,373 8.296,374 2.532,375 3.584,376 2.819,377 5.427,378 3.193,379 2.252,380 2.961,382 6.886,383 2.104,384 3.421,385 2.562,386 5.063,387 3.02,388 2.013,389 2.699,391 5.788,392 2.012,393 3.365,394 2.272,395 4.899,396 2.935,397 1.988,398 2.652,400 5.573,401 1.926,402 3.004,403 2.163,404 4.343,405 2.878,406 1.931,407 2.107,409 4.215,410 1.74,411 2.927,412 1.954,413 4.121,414 2.751,415 1.773,416 1.952,418 3.857,419 1.701,420 2.83,421 1.834,422 3.986,423 2.56,424 1.596,425 1.877,427 3.533,428 1.525,429 2.744,430 1.654,431 3.893,432 2.443,433 1.46,434 1.767,436 3.38,437 1.428,438 2.644,439 1.476,440 3.742,441 2.404,442 1.415,443 1.666,445 3.167,446 1.395,447 2.497,448 1.465,449 3.646,450 2.273,451 1.287,452 1.492,454 3.005,455 1.263,456 2.483,457 1.433,458 3.588,459 2.248,460 1.256,461 1.457,463 2.857,464 1.245,465 2.413,466 1.311,467 3.558,468 2.083,469 1.091,470 1.324,472 2.496,473 1.077,474 19.414,475 0.485,476 0.747,477 0.019,478 46.25,479 1.156,480 21.5,481 0.538,482 24.75,483 0.619,484 42.908,485 1.073,486 43.586,487 0.559,488 33.481,489 0.837,490 8.092,491 0.202,492 11.506,493 0.288,494 0.071,496 0.283,501 0.687,502 1.213,503 0.739,504 1.039,505 0.524,506 0.982,507 0.688,508 1.25,509 0.811,510 1.118,511 0.507,512 1.074,513 0.846,514 1.004,515 0.818,516 0.907,517 0.717,518 0.875,519 1.028,520 1.013,521 0.871,522 0.935,523 0.972,524 0.938,525 0.939,526 1.004,527 0.872,528 0.948,529 0.881,530 0.996,531 0.832,532 1.05,533 0.909,534 1.04,535 0.87,536 1.072,537 0.926,538 0.967,539 1.071,540 1.016,541 0.948,542 1.044,543 0.968,544 0.91,545 1.244,546 1.035,547 0.923,548 1.045,549 5.5,550 0.136,551 3.778,552 2.375,553 2.338,554 0.986,555 0.606,556 0.354,557 0.234,558 0.168,559 36466,560 89007,561 2.123,562 48.7,563 18,564 12,567 2,568 2,569 4,572 1.787,573 2.034,574 4.114,575 0.075,582 114.865,583 1.473,584 3.446,585 4.393,586 5.195,587 5.542,588 5.721,589 3.465,590 4.922,591 5.303,592 4.405,593 3435.55,594 9.277,595 70569.8,600 490.261,601 1.196,602 5.274,603 0.125,604 0.005,605 0.064,606 0.038,607 0.041,608 0.019,609 0.014,610 0.009,611 0.007,612 0.005,613 0.327,614 0.17,615 0.5,616 0.413,617 237.122,618 -0.018,619 -0.025,620 0.033,621 0.013,622 0.013,623 0.035,624 0.057,625 -0.146,626 0.012,627 -0.104,628 0.099,629 -0.072,630 0.106,631 0.002,632 0.114,633 0.066,634 0.104,635 0.105,636 0.044,637 0.017,638 0.034,639 0.012,640 0.05,641 0.019,642 0.024,643 0.018,644 -0.016,645 0.004,646 0.118,647 -0.029,648 -0.023,649 -0.068,650 -0.022,651 -0.065,652 -0.026,653 -0.081,654 -0.067,655 -0.029,656 -0.048,657 -0.027,658 -0.065,659 -0.045,660 -0.089,661 0.011,662 -0.105,663 -0.03,664 -0.086,665 -0.038,666 2,667 5.383,668 0.6,669 52.083,670 0.994,671 1.122,672 4.277,673 18.295,674 0.666,675 3.807,676 4.094,677 4.369,678 4.644,679 4.913,680 4.984,681 5.081,682 5.147,683 5.182,684 5.017,685 11.666,686 0.622,687 560.19,688 3.807,689 5.333,690 6.176,691 7.043,692 7.909,693 8.79,694 9.668,695 10.555,696 11.44,697 12.333,698 3.8,703 1,705 1,708 1,714 2,715 7,716 1,720 6,722 17,727 1,734 1,739 1,740 1,741 78,743 20,744 2,745 44,747 82,748 33,749 15,750 5,751 7,752 4,756 5,757 9,758 1,767 4,770 12,772 19,773 14,777 3,782 2,784 1,786 3,793 38,794 6,795 2,796 7,797 1,802 3,808 0.4,809 3,822 1,829 5,833 3,843 1,849 2,859 2,865 1,868 40,876 14,877 2,878 1,892 1,893 3.8,896 2,898 1,901 19.667,902 13.76,903 8.944,904 5.476,907 3.654,908 1.427,909 0.991,910 10.126,911 12.201,912 4.034,913 4.585,914 5.169,915 5.747,916 6.335,917 6.64,918 6.989,919 7.31,920 7.572,921 7.414,922 1,923 63,924 14.913,926 6.356,927 0.026,929 7.624,931 29.234,933 24.549,936 2.124,937 84.944,941 423.76,942 150.863,943 52.807,944 39.149,945 61.29,948 150.863,949 524.198,950 52.807,952 52.637,953 75.81,954 100.168,955 36.346,957 423.76,958 39.149,959 423.76,960 203.67,961 61.29,962 39.149,964 376.675,965 108.374,968 57.537,969 96.617,970 88.665,972 423.76,973 114.097,974 190.012,977 423.76,978 75.053,979 75.81,980 36.022,981 117.224,982 423.76,983 114.097,984 190.012,986 0.566,987 0.328,988 0.184,989 0.106,990 26,991 11,992 0.159,993 13,994 3,995 1.25,996 5.321,997 367.209,998 0.25,999 24,1000 212.877,1005 28.639,1006 14.143,1007 7.456,1008 2.179,1009 114.097,1010 13.025,1011 4.917,1015 5.573,1017 36.022,1018 727.868,1019 55.5,1024 24.571,1026 1.274,1028 -0.46,1031 77.516,1032 87.541,1034 0.234,1035 0.548,1036 0.699,1037 0.827,1038 0.882,1039 0.91,1040 5.264,1041 1.931,1042 6.129,1043 5.573,1044 4.779,1045 5.273,1046 1.617,1047 6.919,1048 4.725,1049 6.438,1050 1.773,1051 7.666,1052 4.215,1053 4.205,1054 5.066,1056 7.789,1057 4.109,1058 7.734,1059 1.596,1060 9.313,1061 3.857,1062 6.333,1063 7.457,1064 1.538,1065 10.942,1066 6.234,1067 9.071,1068 1.46,1069 11.029,1070 3.533,1071 6.648,1072 8.144,1074 12.707,1075 6.522,1076 10.448,1077 1.415,1078 12.79,1079 3.38,1080 8.193,1081 9.998,1082 1.532,1083 15.363,1084 8.056,1085 11.854,1086 1.287,1087 14.584,1088 3.167,1089 8.949,1090 11.103,1092 17.49,1093 8.792,1094 13.281,1095 1.256,1096 16.4,1097 3.005,1098 10.251,1099 12.743,1100 1.557,1101 19.979,1102 10.079,1103 3.235,1104 1.091,1105 18.233,1106 2.857,1107 11.221,1108 14.052,1110 22.26,1111 11.03,1112 3.088,1113 11.364,1114 20.078,1115 2.496,1116 12.424,1117 15.606,1118 1.603,1119 24.693,1120 12.217,1121 2.612,1122 10.197,1123 21.933,1124 4.582,1125 13.494,1126 17.014,1128 27.043,1129 13.266,1130 2.61,1131 8.477,1132 23.796,1133 4.023,1134 14.66,1135 18.535,1136 1.663,1137 29.458,1138 14.415,1139 2.252,1140 8.296,1141 25.665,1142 3.534,1143 15.776,1144 19.993,1146 31.841,1147 15.51,1148 2.013,1149 6.886,1150 27.539,1151 3.367,1152 16.931,1153 21.504,1154 1.734,1155 34.252,1156 16.646,1157 1.988,1158 5.788,1159 29.418,1160 2.961,1161 18.068,1162 22.988,1164 36.652,1165 17.762,1166 33562,1167 52762,1168 30.107,1169 51.944,1170 64.37,1171 66.876,1172 65.525,1173 64.272,1174 64.055,1175 80.425,1176 4.637,1177 177.178,1178 62.199,1179 5.631,1180 5.692,1181 6.778,1182 5.309,1183 5.235,1184 7.582,1185 2.117,1186 18.902,1187 5.165,1188 15.923,1189 1.463,1190 1.52,1191 1.489,1192 1.461,1193 1.456,1194 1.828,1195 0.105,1196 4.027,1197 1.414,1198 4.119,1199 4.147,1200 4.128,1201 4.049,1202 7.435,1203 4.052,1204 3.987,1205 3.998,1206 3.952,1207 3.897,1208 7.423,1209 3.906,1210 3.809,1211 3.871,1212 3.778,1213 3.69,1214 5.038,1215 3.672,1216 3.736,1217 3.78,1218 3.654,1219 3.659,1220 4.854,1221 3.643,1222 3.691,1223 3.756,1224 3.574,1225 3.539,1226 4.685,1227 3.535,1228 3.584,1229 3.632,1230 3.466,1231 3.445,1232 4.384,1233 3.448,1234 3.451,1235 3.512,1236 3.394,1237 3.295,1238 4.273,1239 3.285,1240 3.306,1241 3.367,1242 3.274,1243 3.171,1244 4.205,1245 3.159,1246 0.106,1247 0.084,1248 0.155,1249 0.096,1250 0.074,1251 4.651,1252 0.104,1253 3.692,1254 0.024,1255 6.833,1256 0.258,1257 4.214,1258 0.072,1259 3.235,1260 4.582,1261 1.058,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.149,1267 2.158,1268 1.44,1269 2.159,1270 1.935,1271 1.924,1272 2.061,1273 2.044,1274 1.421,1275 2.034,1276 1.815,1277 1.754,1278 2.019,1279 1.972,1280 1.286,1281 2.004,1282 1.75,1283 1.709,1284 1.946,1285 1.876,1286 1.15,1287 1.902,1288 1.689,1289 1.624,1290 1.922,1291 1.861,1292 1.104,1293 1.889,1294 1.549,1295 1.513,1296 1.772,1297 1.745,1298 1.065,1299 1.754,1300 1.446,1301 1.384,1302 1.631,1303 1.627,1304 0.825,1305 1.637,1306 1.285,1307 1.229,1308 1.535,1309 1.49,1310 0.752,1311 1.509,1312 4.489,1314 5.784,1316 7.284,1318 8.895,1320 10.571,1323 6.243,1328 15.394,1329 6.625,1330 5.603,1340 48.518,1341 114.865,1342 268.785,1343 342.662,1344 405.242,1345 432.261,1346 446.261,1347 83.275,1348 8.547,1349 84.23,1350 84.23,1351 30,1352 12.862,1353 4.392,1354 3.644,1355 64.935,1356 295,1357 220,1358 0.103,1359 298.854,1360 530.5,1361 720.963,1362 96898,1363 1.3,1364 27.736,1365 0.693,1366 0.596,1367 28.236,1368 23.824,1369 19.597,1370 0.445,1371 0.344,1372 14.679,1373 18.839,1374 14.395,1375 11.926,1376 19.886,1377 15.138,1378 16.957,1379 0.287,1380 0.19,1381 17.366,1382 11.199,1383 14.207,1384 0.182,1385 0.103,1386 14.469,1387 8.009,1388 11.96,1389 0.116,1390 0.056,1391 12.195,1392 5.796,1393 10.072,1394 0.075,1395 0.031,1396 10.304,1397 4.251,1398 0.175,1399 124.047,1400 0.182,1401 37.697,1402 0.248,1403 206,1404 539.721,1405 235.54,1406 552.85,1407 751.71,1408 518,1409 240,1410 533.605,1411 264.557,1412 547.441,1413 807.15,1414 520,1415 9.523}
{0 CHEMBL2019034,1 1.414,2 20.171,3 7.353,4 54.071,5 164.228,6 6.778,7 0.378,8 4.476,9 4.597,10 3.96,11 4.022,12 5.471,13 3.98,14 5.056,15 5.239,16 4.29,17 4.423,18 6.005,19 4.348,20 5.36,21 5.6,22 4.396,23 4.562,24 6.28,25 4.463,26 5.361,27 5.601,28 4.329,29 4.536,30 6.299,31 4.428,32 5.355,33 5.601,34 4.262,35 4.521,36 6.335,37 4.392,38 5.351,39 5.608,40 4.099,41 4.495,42 6.178,43 4.335,44 5.352,45 5.628,46 3.935,47 4.425,48 6.131,49 4.239,50 5.24,51 5.529,52 3.842,53 4.312,54 5.984,55 4.118,56 0.055,57 1.131,58 18.582,59 8.195,60 9.349,61 11.018,62 0.247,63 1.87,64 34.863,65 13.926,66 30.513,67 19.258,68 0.546,69 2.363,70 49.217,71 17.82,72 63.083,73 25.487,74 0.587,75 2.374,76 49.565,77 17.279,78 67.919,79 24.8,80 0.782,81 2.325,82 49.33,83 17.613,84 100.069,85 25.415,86 0.416,87 2.278,88 48.775,89 18.24,90 59.364,91 26.077,92 0.519,93 2.192,94 49.666,95 18.071,96 68.063,97 25.902,98 0.533,99 1.96,100 44.291,101 16.448,102 59.013,103 23.942,104 11,105 60,106 0.214,107 0.515,108 0.677,109 0.793,110 0.846,111 0.872,112 3.74,113 1.012,114 -4.75,115 -4.66,116 -4.38,121 41.5,123 12,126 1,127 2,137 1,140 1,144 7,145 3,146 3,148 2,159 1,160 1,176 17,180 11,183 1,185 4,187 18,191 1,192 10,195 1,197 5,200 14,205 1,206 4,209 1,211 6,214 13,218 3,219 6,222 1,224 6,227 17,232 5,237 4,239 17,244 4,249 2,251 16,255 1,256 4,259 1,261 2,264 15,269 4,274 2,277 15,281 3672,282 28.457,283 28.457,284 28.457,285 28.457,286 28.457,287 26.055,288 28.642,289 17.465,290 28.863,291 22.23,292 22.23,293 22.23,294 22.23,295 22.23,296 18.263,297 31.338,298 8.321,299 22.783,300 4.944,301 2.957,302 1.882,303 1.119,304 0.765,305 0.595,306 4.451,312 1,313 1820,314 4.583,318 612.9,322 621.276,325 3.036,326 37.563,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 87.5,338 827,339 4.64,340 3.694,341 6.829,342 4.207,343 3.226,344 4.564,345 1.058,346 11.348,347 3.162,348 4.466,349 3.469,350 6.531,351 4.092,352 3.111,353 4.082,354 0.86,355 10.285,356 3.055,357 4.027,358 3.361,359 5.982,360 3.639,361 2.657,362 3.437,363 0.86,364 8.37,365 2.602,366 3.914,367 2.903,368 5.963,369 3.524,370 2.532,371 3.431,372 0.4,373 8.36,374 2.512,375 3.619,376 2.683,377 5.381,378 3.246,379 2.282,380 2.919,382 6.711,383 2.196,384 3.522,385 2.669,386 5.249,387 3.136,388 2.182,389 2.893,391 6.567,392 2.08,393 3.331,394 2.356,395 5.056,396 2.938,397 1.967,398 2.543,400 5.782,401 1.925,402 2.97,403 2.072,404 4.324,405 2.928,406 1.933,407 2.142,409 4.136,410 1.877,411 2.94,412 1.953,413 4.116,414 2.747,415 1.763,416 1.981,418 3.846,419 1.734,420 2.895,421 1.834,422 3.988,423 2.532,424 1.561,425 1.901,427 3.52,428 1.516,429 2.735,430 1.669,431 3.896,432 2.494,433 1.51,434 1.74,436 3.329,437 1.478,438 2.601,439 1.524,440 3.751,441 2.345,442 1.347,443 1.624,445 3.263,446 1.343,447 2.499,448 1.44,449 3.663,450 2.311,451 1.328,452 1.492,454 2.912,455 1.297,456 2.484,457 1.35,458 3.594,459 2.242,460 1.247,461 1.458,463 2.902,464 1.24,465 2.418,466 1.342,467 3.559,468 2.073,469 1.081,470 1.344,472 2.525,473 1.068,474 19.533,475 0.476,476 0.709,477 0.017,478 47.5,479 1.159,480 22,481 0.537,482 25.5,483 0.622,484 43.193,485 1.053,486 45.267,487 0.552,488 35.643,489 0.869,490 8.504,491 0.207,492 11.632,493 0.284,494 0.06,496 0.282,501 0.753,502 1.259,503 0.873,504 1.143,505 0.55,506 1.038,507 0.853,508 1.209,509 0.953,510 1.133,511 0.562,512 1.066,513 0.858,514 1.017,515 0.842,516 0.93,517 0.726,518 0.887,519 1.031,520 1.04,521 0.998,522 0.987,523 1.021,524 0.979,525 0.763,526 1.007,527 0.996,528 1.005,529 0.799,530 1.019,531 0.882,532 1.07,533 1.078,534 1.107,535 0.944,536 1.114,537 1.004,538 0.966,539 1.089,540 1.014,541 1.167,542 1.057,543 0.613,544 0.913,545 0.937,546 0.967,547 0.727,548 0.991,549 5.5,550 0.136,551 3.778,552 2.25,553 2.538,554 0.993,555 0.543,556 0.366,557 0.238,558 0.168,559 39199,560 89140,561 2.12,562 50,563 18,564 15,567 2,568 2,569 4,572 1.793,573 2.033,574 4.162,575 0.064,582 115.931,583 1.414,584 3.401,585 4.475,586 5.238,587 5.592,588 5.763,589 3.598,590 4.705,591 5.339,592 4.469,593 3664.23,594 9.346,595 76936.4,600 521.319,601 1.182,602 5.311,603 0.122,604 0.004,605 0.063,606 0.035,607 0.043,608 0.018,609 0.012,610 0.01,611 0.007,612 0.005,613 0.32,614 0.17,615 0.63,616 0.537,617 245.273,618 -0.012,619 -0.052,620 0.054,621 -0.011,622 0.018,623 0.025,624 0.019,625 -0.104,626 0.006,627 -0.075,628 0.084,629 -0.043,630 0.097,632 0.144,633 0.061,634 0.113,635 0.102,636 0.008,637 -0.004,639 -0.015,640 0.015,641 -0.008,642 0.184,643 0.011,644 -0.011,645 -0.026,646 0.208,647 -0.037,648 -0.061,649 -0.086,650 -0.11,651 -0.114,652 -0.032,653 -0.116,654 -0.098,655 -0.027,656 -0.107,657 -0.041,658 -0.116,659 -0.07,660 0.108,661 0.016,662 0.027,663 0.009,664 0.04,665 0.008,666 2.02,667 5.473,668 0.585,669 55.23,670 0.993,671 1.125,672 3.518,673 12.377,674 0.65,675 3.829,676 4.111,677 4.394,678 4.663,679 4.942,680 5.004,681 5.106,682 5.17,683 5.209,684 5.03,685 12.028,686 0.609,687 555.78,688 3.829,689 5.352,690 6.196,691 7.062,692 7.931,693 8.809,694 9.689,695 10.575,696 11.462,697 12.352,698 3.7,703 1,705 1,708 1,714 2,715 7,716 1,720 6,722 17,727 1,734 1,739 2,741 82,743 20,744 2,745 45,747 86,748 34,749 15,750 5,751 7,752 4,756 5,757 9,767 4,770 12,772 19,773 15,777 3,782 2,784 1,786 3,793 41,794 7,795 2,796 7,802 3,808 0.4,809 4,822 1,829 5,833 3,843 1,849 2,859 2,864 1,868 41,876 14,877 2,878 2,893 4.9,896 2,898 2,901 20.167,902 14.783,903 9.278,904 5.649,907 3.69,908 1.428,909 0.981,910 10.44,911 12.309,912 4.052,913 4.595,914 5.186,915 5.757,916 6.348,917 6.633,918 6.982,919 7.279,920 7.549,921 7.371,922 0.923,923 65,924 15.29,926 6.47,927 0.026,929 7.606,931 29.983,933 24.959,936 2.106,937 86.333,941 459.073,942 163.489,943 52.807,945 72.29,948 163.489,949 531.363,950 52.807,951 10.883,952 52.637,953 75.81,954 100.168,955 49.088,957 459.073,959 459.073,960 216.296,961 72.29,964 411.989,965 119.374,968 57.537,969 109.243,970 49.516,972 459.073,973 125.097,974 163.489,977 459.073,978 76.796,979 86.693,980 36.022,981 89.075,982 459.073,983 125.097,984 163.489,986 0.563,987 0.332,988 0.185,989 0.107,990 26,991 11,992 0.163,993 14,994 3,995 1.25,996 5.406,997 378.161,998 0.25,999 24,1000 215.66,1005 29.29,1006 14.614,1007 7.552,1008 2.365,1009 125.097,1010 13.499,1011 4.942,1015 5.405,1017 36.022,1018 747.659,1019 56.5,1024 24.868,1026 1.25,1028 -0.566,1031 81.403,1032 92.221,1034 0.222,1035 0.535,1036 0.704,1037 0.824,1038 0.88,1039 0.906,1040 5.279,1041 1.933,1042 6.146,1043 5.782,1044 4.796,1045 5.283,1046 1.875,1047 6.936,1048 4.75,1049 6.449,1050 1.763,1051 7.684,1052 4.136,1053 4.205,1054 5.066,1056 7.811,1057 4.148,1058 7.744,1059 1.561,1060 9.331,1061 3.846,1062 6.351,1063 7.465,1064 1.749,1065 10.96,1066 6.263,1067 9.081,1068 1.51,1069 11.047,1070 3.52,1071 6.661,1072 8.15,1074 12.725,1075 6.56,1076 10.458,1077 1.347,1078 12.808,1079 3.329,1080 8.21,1081 10.004,1082 1.693,1083 15.378,1084 8.086,1085 11.864,1086 1.328,1087 14.601,1088 3.263,1089 8.964,1090 11.108,1092 17.504,1093 8.824,1094 13.292,1095 1.247,1096 16.417,1097 2.912,1098 10.266,1099 12.746,1100 1.676,1101 19.991,1102 10.107,1103 3.226,1104 1.081,1105 18.248,1106 2.902,1107 11.235,1108 14.052,1110 22.272,1111 11.058,1112 3.111,1113 11.348,1114 20.092,1115 2.525,1116 12.438,1117 15.603,1118 1.688,1119 24.703,1120 12.242,1121 2.657,1122 10.285,1123 21.946,1124 4.564,1125 13.507,1126 17.008,1128 27.053,1129 13.292,1130 2.532,1131 8.37,1132 23.808,1133 4.082,1134 14.674,1135 18.525,1136 1.723,1137 29.466,1138 14.44,1139 2.282,1140 8.36,1141 25.676,1142 3.437,1143 15.788,1144 19.979,1146 31.848,1147 15.535,1148 2.182,1149 6.711,1150 27.55,1151 3.431,1152 16.944,1153 21.485,1154 1.776,1155 34.258,1156 16.672,1157 1.967,1158 6.567,1159 29.428,1160 2.919,1161 18.08,1162 22.964,1164 36.656,1165 17.788,1166 36188,1167 54998,1168 30.8,1169 53.302,1170 65.519,1171 68.244,1172 67.011,1173 65.284,1174 65.314,1175 81.699,1176 6.357,1177 180.312,1178 63.79,1179 5.621,1180 5.694,1181 6.774,1182 5.304,1183 5.226,1184 7.564,1185 2.117,1186 18.879,1187 5.162,1188 16.25,1189 1.456,1190 1.517,1191 1.489,1192 1.451,1193 1.451,1194 1.816,1195 0.141,1196 4.007,1197 1.418,1198 4.117,1199 4.148,1200 4.076,1201 4.043,1202 7.435,1203 4.048,1204 3.995,1205 4.001,1206 3.963,1207 3.898,1208 7.423,1209 3.911,1210 3.809,1211 3.871,1212 3.661,1213 3.689,1214 4.976,1215 3.671,1216 3.732,1217 3.781,1218 3.617,1219 3.649,1220 4.905,1221 3.635,1222 3.694,1223 3.757,1224 3.587,1225 3.539,1226 4.608,1227 3.537,1228 3.595,1229 3.637,1230 3.468,1231 3.448,1232 4.413,1233 3.453,1234 3.46,1235 3.521,1236 3.315,1237 3.293,1238 4.275,1239 3.284,1240 3.316,1241 3.38,1242 3.192,1243 3.155,1244 4.217,1245 3.148,1246 0.103,1247 0.082,1248 0.152,1249 0.093,1250 0.072,1251 4.64,1252 0.101,1253 3.694,1254 0.024,1255 6.829,1256 0.252,1257 4.207,1258 0.07,1259 3.226,1260 4.564,1261 1.058,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.44,1269 2.163,1270 1.93,1271 1.924,1272 2.062,1273 2.047,1274 1.421,1275 2.03,1276 1.815,1277 1.754,1278 2,1279 1.972,1280 1.286,1281 2.003,1282 1.754,1283 1.709,1284 1.951,1285 1.877,1286 1.15,1287 1.904,1288 1.689,1289 1.625,1290 1.94,1291 1.871,1292 1.105,1293 1.897,1294 1.55,1295 1.518,1296 1.773,1297 1.753,1298 1.066,1299 1.757,1300 1.448,1301 1.386,1302 1.64,1303 1.648,1304 0.825,1305 1.653,1306 1.292,1307 1.23,1308 1.566,1309 1.524,1310 0.753,1311 1.538,1312 4.511,1314 5.802,1316 7.302,1318 8.912,1320 10.588,1322 1.542,1328 15.576,1329 6.65,1330 10.803,1340 49.933,1341 115.931,1342 278.868,1343 366.965,1344 429.545,1345 458.564,1346 472.564,1347 85.503,1348 8.619,1349 93.46,1350 93.46,1351 30,1352 12.882,1353 4.392,1354 3.644,1355 67.46,1356 312,1357 258,1358 0.101,1359 304.11,1360 541.38,1361 733.787,1362 107008,1364 28.443,1365 0.694,1366 0.588,1367 28.443,1368 24.099,1369 20.135,1370 0.447,1371 0.337,1372 15.03,1373 19.528,1374 14.737,1375 12.253,1376 20.135,1377 15.183,1378 17.127,1379 0.285,1380 0.183,1381 17.127,1382 10.984,1383 14.638,1384 0.183,1385 0.1,1386 14.638,1387 8.018,1388 12.138,1389 0.116,1390 0.055,1391 12.138,1392 5.762,1393 10.387,1394 0.075,1395 0.03,1396 10.387,1397 4.22,1398 0.173,1399 125.215,1400 0.18,1401 38.501,1402 0.243,1403 210,1404 561.253,1405 226.899,1406 537.059,1407 740.71,1408 506,1409 245,1410 547.288,1411 262.456,1412 551.468,1413 811.37,1414 522,1415 9.111}
{0 CHEMBL2019035,1 1.497,2 20.762,3 8.018,4 64.284,5 169.033,6 7.198,7 0.37,8 4.479,9 4.597,10 4.013,11 4.037,12 5.486,13 3.995,14 5.06,15 5.238,16 4.365,17 4.443,18 6.031,19 4.369,20 5.366,21 5.6,22 4.47,23 4.587,24 6.309,25 4.487,26 5.366,27 5.601,28 4.411,29 4.554,30 6.329,31 4.448,32 5.358,33 5.601,34 4.34,35 4.54,36 6.35,37 4.412,38 5.356,39 5.607,40 4.24,41 4.52,42 6.209,43 4.365,44 5.361,45 5.626,46 4.103,47 4.466,48 6.174,49 4.284,50 5.253,51 5.527,52 3.985,53 4.36,54 6.047,55 4.165,56 0.036,57 1.12,58 17.795,59 8.122,60 8.59,61 10.753,62 0.225,63 1.854,64 34.836,65 14.057,66 31.493,67 19.062,68 0.561,69 2.344,70 52.256,71 18.387,72 67.004,73 25.616,74 0.628,75 2.358,76 51.868,77 17.677,78 73.495,79 24.819,80 0.775,81 2.316,82 50.564,83 18.013,84 101.465,85 25.477,86 0.452,87 2.26,88 51.409,89 18.685,90 64.015,91 26.215,92 0.572,93 2.165,94 55.555,95 18.96,96 75.866,97 26.308,98 0.614,99 1.925,100 52.455,101 17.469,102 69.416,103 24.503,104 18,105 62,106 0.226,107 0.53,108 0.689,109 0.797,110 0.846,111 0.872,112 3.764,113 1.021,114 -4.93,115 -4.83,116 -4.53,121 41.5,123 12,126 1,127 2,137 1,140 1,144 6,145 3,146 4,148 2,159 1,160 1,176 15,180 11,183 1,185 4,187 19,191 1,192 9,195 1,197 5,200 14,205 1,206 5,209 1,211 6,214 14,218 3,219 6,222 1,224 5,227 15,232 5,237 5,239 17,244 4,249 2,251 16,255 1,256 4,259 1,261 2,264 16,269 4,274 2,277 15,281 3908,282 28.905,283 28.905,284 28.905,285 28.905,286 28.905,287 26.477,288 30.243,289 17.601,290 29.447,291 22.713,292 22.713,293 22.713,294 22.713,295 22.713,296 18.676,297 31.979,298 8.401,299 23.533,300 4.861,301 2.853,302 1.807,303 1.095,304 0.765,305 0.595,306 4.472,308 1,312 1,313 1912,314 4.637,318 628.36,322 636.207,325 2.998,326 40.93,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 89.833,338 872,339 4.651,340 3.694,341 6.833,342 4.214,343 3.235,344 4.582,345 1.058,346 11.364,347 3.165,348 4.466,349 3.469,350 6.531,351 4.092,352 3.111,353 4.082,354 0.86,355 10.285,356 3.055,357 4.027,358 3.373,359 6.004,360 3.639,361 2.657,362 3.534,363 0.86,364 8.477,365 2.602,366 3.99,367 2.943,368 5.963,369 3.58,370 2.61,371 3.431,372 0.4,373 8.36,374 2.532,375 3.619,376 2.903,377 5.427,378 3.246,379 2.282,380 2.961,382 6.886,383 2.196,384 3.584,385 2.683,386 5.249,387 3.193,388 2.252,389 2.919,391 6.567,392 2.104,393 3.365,394 2.562,395 5.056,396 2.939,397 1.988,398 2.699,400 5.782,401 1.926,402 3.331,403 2.272,404 4.899,405 2.933,406 1.967,407 2.543,409 5.573,410 1.877,411 2.97,412 2.072,413 4.324,414 2.878,415 1.929,416 1.981,418 4.136,419 1.737,420 2.899,421 1.953,422 4.121,423 2.746,424 1.763,425 1.905,427 3.847,428 1.701,429 2.749,430 1.833,431 3.986,432 2.519,433 1.554,434 1.771,436 3.518,437 1.494,438 2.645,439 1.654,440 3.893,441 2.429,442 1.44,443 1.667,445 3.376,446 1.416,447 2.499,448 1.465,449 3.744,450 2.313,451 1.329,452 1.492,454 3.146,455 1.299,456 2.486,457 1.433,458 3.652,459 2.249,460 1.256,461 1.459,463 2.912,464 1.246,465 2.419,466 1.342,467 3.577,468 2.083,469 1.092,470 1.344,472 2.55,473 1.077,474 20.248,475 0.482,476 0.815,477 0.019,478 48.25,479 1.149,480 22,481 0.524,482 26.25,483 0.625,484 45.848,485 1.092,486 46.352,487 0.565,488 36.447,489 0.868,490 8.576,491 0.204,492 11.953,493 0.285,494 0.093,496 0.296,501 0.723,502 1.257,503 0.74,504 1.083,505 0.541,506 1.003,507 0.818,508 1.206,509 0.808,510 1.071,511 0.542,512 1.028,513 0.865,514 1.017,515 0.831,516 0.918,517 0.737,518 0.884,519 0.965,520 1.046,521 0.883,522 0.971,523 0.98,524 0.97,525 0.723,526 1.005,527 0.826,528 0.954,529 0.77,530 0.989,531 0.82,532 1.072,533 0.905,534 1.059,535 0.904,536 1.081,537 1.04,538 0.962,539 1.107,540 1.008,541 1.184,542 1.055,543 0.775,544 0.915,545 1.198,546 1.036,547 0.836,548 1.042,549 6.5,550 0.153,551 4,552 2.438,553 2.729,554 1.132,555 0.705,556 0.444,557 0.283,558 0.188,559 41376,560 103573,561 2.102,562 48.8,563 18,564 14,567 2,568 2,569 4,572 1.799,573 2,574 4.203,575 0.078,582 122.714,583 1.497,584 3.504,585 4.55,586 5.263,587 5.592,588 5.763,589 3.639,590 4.821,591 5.373,592 4.491,593 3866.4,594 9.417,595 82473.5,600 521.319,601 1.268,602 5.338,603 0.141,604 0.005,605 0.065,606 0.036,607 0.045,608 0.02,609 0.015,610 0.011,611 0.008,612 0.006,613 0.351,614 0.17,615 0.63,616 0.58,617 252.836,618 -0.018,619 -0.052,620 0.036,621 -0.01,622 0.013,623 0.024,624 0.014,625 -0.1,626 0.028,627 -0.05,628 0.094,629 -0.026,630 0.07,631 0.002,632 0.102,633 0.063,634 0.097,635 0.101,636 0.024,637 -0.007,638 0.017,639 -0.015,640 0.025,641 -0.004,642 0.168,643 0.017,644 0.029,645 0.005,646 0.196,647 -0.014,648 -0.019,649 -0.085,650 -0.018,651 -0.08,652 -0.012,653 -0.086,654 -0.108,655 -0.023,656 -0.082,657 -0.024,658 -0.125,659 -0.06,660 0.048,661 0.011,662 -0.068,663 -0.03,664 -0.003,665 -0.03,666 2.025,667 5.481,668 0.571,669 56.807,670 0.997,671 1.124,672 3.699,673 13.684,674 0.66,675 3.85,676 4.143,677 4.419,678 4.691,679 4.977,680 5.063,681 5.165,682 5.247,683 5.283,684 5.118,685 12.184,686 0.619,687 590.22,688 3.85,689 5.38,690 6.225,691 7.094,692 7.963,693 8.845,694 9.726,695 10.616,696 11.504,697 12.398,698 3.7,703 1,705 1,708 1,714 2,715 6,716 1,720 7,722 17,727 1,734 1,739 2,740 1,741 82,743 20,744 2,745 46,747 86,748 34,749 15,750 6,751 6,752 4,756 5,757 9,758 1,767 4,770 12,772 19,773 15,777 3,782 2,784 1,786 3,793 40,794 7,795 2,796 8,797 1,802 3,808 0.4,809 4,822 1,829 5,833 3,843 1,849 2,859 2,864 1,865 1,868 42,876 14,877 2,878 2,892 1,893 4.9,896 2,898 2,901 21,902 14.843,903 9.444,904 5.629,907 3.697,908 1.425,909 0.981,910 10.904,911 12.389,912 4.069,913 4.625,914 5.211,915 5.789,916 6.391,917 6.71,918 7.056,919 7.379,920 7.638,921 7.491,922 1,923 67,924 15.65,926 6.64,927 0.026,929 7.646,931 30.543,933 25.437,936 2.146,937 90.111,941 447.302,942 157.513,943 52.807,944 39.149,945 72.29,948 157.513,949 558.74,950 52.807,951 10.883,952 52.637,953 66.334,954 100.168,955 52.589,957 447.302,958 39.149,959 447.302,960 210.32,961 72.29,962 39.149,964 400.217,965 119.374,968 57.537,969 103.267,970 88.665,972 447.302,973 125.097,974 196.662,977 447.302,978 80.297,979 77.217,980 36.022,981 128.224,982 447.302,983 125.097,984 196.662,986 0.567,987 0.331,988 0.182,989 0.107,990 27,991 12,992 0.163,993 14,994 3,995 1.25,996 5.45,997 392.06,998 0.25,999 24,1000 226.477,1005 30.533,1006 14.999,1007 7.932,1008 2.172,1009 125.097,1010 11.013,1011 4.918,1015 5.979,1017 36.022,1018 769.061,1019 57.5,1024 24.882,1026 1.246,1028 -0.581,1031 81.727,1032 92.165,1034 0.235,1035 0.551,1036 0.716,1037 0.828,1038 0.88,1039 0.906,1040 5.305,1041 1.967,1042 6.184,1043 5.782,1044 4.828,1045 5.313,1046 1.875,1047 6.978,1048 4.764,1049 6.484,1050 1.929,1051 7.726,1052 5.573,1053 4.29,1054 5.147,1056 7.854,1057 4.185,1058 7.784,1059 1.763,1060 9.375,1061 4.136,1062 6.392,1063 7.505,1064 1.749,1065 10.995,1066 6.277,1067 9.125,1068 1.554,1069 11.089,1070 3.847,1071 6.723,1072 8.212,1074 12.747,1075 6.581,1076 10.505,1077 1.44,1078 12.848,1079 3.518,1080 8.251,1081 10.046,1082 1.693,1083 15.401,1084 8.099,1085 11.911,1086 1.329,1087 14.636,1088 3.376,1089 9.011,1090 11.158,1092 17.52,1093 8.839,1094 13.338,1095 1.256,1096 16.448,1097 3.146,1098 10.304,1099 12.788,1100 1.676,1101 20.009,1102 10.118,1103 3.235,1104 1.092,1105 18.275,1106 2.912,1107 11.274,1108 14.098,1110 22.287,1111 11.07,1112 3.111,1113 11.364,1114 20.116,1115 2.55,1116 12.473,1117 15.647,1118 1.688,1119 24.719,1120 12.253,1121 2.657,1122 10.285,1123 21.967,1124 4.582,1125 13.542,1126 17.055,1128 27.068,1129 13.303,1130 2.61,1131 8.477,1132 23.826,1133 4.082,1134 14.707,1135 18.572,1136 1.723,1137 29.482,1138 14.451,1139 2.282,1140 8.36,1141 25.693,1142 3.534,1143 15.822,1144 20.03,1146 31.865,1147 15.546,1148 2.252,1149 6.886,1150 27.565,1151 3.431,1152 16.977,1153 21.537,1154 1.776,1155 34.276,1156 16.682,1157 1.988,1158 6.567,1159 29.442,1160 2.961,1161 18.114,1162 23.02,1164 36.675,1165 17.799,1166 38340,1167 61020,1168 31.205,1169 54.16,1170 67.134,1171 70.099,1172 68.843,1173 67.099,1174 66.924,1175 83.48,1176 6.357,1177 186.513,1178 64.577,1179 5.631,1180 5.694,1181 6.778,1182 5.311,1183 5.235,1184 7.582,1185 2.117,1186 18.902,1187 5.165,1188 19.164,1189 1.459,1190 1.524,1191 1.497,1192 1.459,1193 1.455,1194 1.815,1195 0.138,1196 4.055,1197 1.404,1198 4.119,1199 4.148,1200 4.128,1201 4.049,1202 7.435,1203 4.052,1204 3.995,1205 4.001,1206 3.964,1207 3.898,1208 7.423,1209 3.911,1210 3.809,1211 3.871,1212 3.778,1213 3.69,1214 5.039,1215 3.672,1216 3.736,1217 3.78,1218 3.658,1219 3.659,1220 4.907,1221 3.643,1222 3.694,1223 3.757,1224 3.587,1225 3.539,1226 4.685,1227 3.537,1228 3.595,1229 3.637,1230 3.475,1231 3.448,1232 4.608,1233 3.454,1234 3.461,1235 3.521,1236 3.397,1237 3.296,1238 4.276,1239 3.287,1240 3.319,1241 3.379,1242 3.29,1243 3.172,1244 4.219,1245 3.162,1246 0.101,1247 0.08,1248 0.149,1249 0.092,1250 0.07,1251 4.651,1252 0.1,1253 3.694,1254 0.023,1255 6.833,1256 0.247,1257 4.214,1258 0.069,1259 3.235,1260 4.582,1261 1.058,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.149,1267 2.158,1268 1.44,1269 2.159,1270 1.93,1271 1.924,1272 2.061,1273 2.047,1274 1.421,1275 2.03,1276 1.815,1277 1.754,1278 2,1279 1.972,1280 1.286,1281 2.003,1282 1.75,1283 1.709,1284 1.945,1285 1.877,1286 1.15,1287 1.902,1288 1.689,1289 1.625,1290 1.922,1291 1.861,1292 1.105,1293 1.889,1294 1.55,1295 1.518,1296 1.771,1297 1.752,1298 1.065,1299 1.756,1300 1.448,1301 1.387,1302 1.639,1303 1.647,1304 0.825,1305 1.652,1306 1.287,1307 1.231,1308 1.562,1309 1.522,1310 0.752,1311 1.535,1312 4.533,1314 5.832,1316 7.335,1318 8.947,1320 10.625,1322 1.54,1323 6.248,1328 15.27,1329 6.622,1330 10.802,1340 50.76,1341 122.714,1342 287.359,1343 373.106,1344 431.545,1345 458.564,1346 472.564,1347 91.445,1348 8.692,1349 93.46,1350 93.46,1351 30,1352 12.926,1353 4.392,1354 3.644,1355 69.992,1356 324,1357 272,1358 0.101,1359 312.442,1360 556.59,1361 754.12,1362 116129,1363 1.2,1364 29.313,1365 0.698,1366 0.599,1367 29.813,1368 25.155,1369 20.529,1370 0.446,1371 0.34,1372 15.16,1373 19.613,1374 14.83,1375 12.303,1376 20.818,1377 15.661,1378 17.76,1379 0.286,1380 0.187,1381 18.169,1382 11.565,1383 14.973,1384 0.183,1385 0.101,1386 15.236,1387 8.309,1388 12.402,1389 0.115,1390 0.055,1391 12.636,1392 5.954,1393 10.604,1394 0.074,1395 0.03,1396 10.835,1397 4.383,1398 0.173,1399 130.754,1400 0.179,1401 39.203,1402 0.244,1403 216,1404 595.456,1405 248.419,1406 599.216,1407 812.08,1408 562,1409 252,1410 574.151,1411 279.215,1412 588.117,1413 864.95,1414 556,1415 10}
{0 CHEMBL2019037,1 1.435,2 19.767,3 7.337,4 53.83,5 170.692,6 6.812,7 0.362,8 4.526,9 4.645,10 4.013,11 4.051,12 5.535,13 4.016,14 5.107,15 5.289,16 4.341,17 4.448,18 6.062,19 4.382,20 5.389,21 5.621,22 4.469,23 4.597,24 6.318,25 4.511,26 5.416,27 5.643,28 4.47,29 4.597,30 6.426,31 4.504,32 5.438,33 5.676,34 4.366,35 4.593,36 6.411,37 4.479,38 5.45,39 5.693,40 4.201,41 4.563,42 6.328,43 4.418,44 5.414,45 5.685,46 4.093,47 4.501,48 6.258,49 4.321,50 5.341,51 5.626,52 3.935,53 4.381,54 6.129,55 4.2,56 0.045,57 1.182,58 19.539,59 8.591,60 10.546,61 11.442,62 0.295,63 1.931,64 36.983,65 14.391,66 35.195,67 19.756,68 0.558,69 2.419,70 50.692,71 18.171,72 61.118,73 25.853,74 0.955,75 2.483,76 52.542,77 18.144,78 88.192,79 26.033,80 0.642,81 2.485,82 53.612,83 18.891,84 96.742,85 26.926,86 0.753,87 2.426,88 54.9,89 19.353,90 83.503,91 27.196,92 0.735,93 2.33,94 52.708,95 19.373,96 82.615,97 28.079,98 0.511,99 2.123,100 49.47,101 17.492,102 70.505,103 25.419,104 21,105 63,106 0.215,107 0.51,108 0.676,109 0.782,110 0.836,111 0.871,112 3.787,113 1.003,114 -4.18,115 -4.12,116 -3.9,121 40.7,123 12,126 2,127 2,137 1,140 1,144 6,145 3,146 4,148 2,159 1,160 1,176 15,180 13,183 1,185 4,187 19,191 1,192 5,195 1,197 5,200 11,205 5,206 9,209 1,211 6,214 14,218 1,219 4,222 1,224 6,227 16,231 1,232 4,237 2,239 17,243 2,244 5,247 2,249 3,251 16,256 4,261 2,264 13,269 6,274 2,277 14,281 4102,282 29.827,283 29.827,284 29.827,285 29.827,286 29.827,287 27.425,288 32.955,289 18.211,290 30.405,291 23.157,292 23.157,293 23.157,294 23.157,295 23.157,296 19.088,297 40.173,298 8.576,299 23.881,300 4.991,301 3.025,302 1.918,303 1.215,304 0.855,305 0.622,306 4.495,312 1,313 1859,314 4.743,318 646.656,322 656.743,325 2.932,326 42.267,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 92.5,338 850,339 4.64,340 3.717,341 6.829,342 4.207,343 3.226,344 4.564,345 1.058,346 11.348,347 3.162,348 4.562,349 3.503,350 6.791,351 4.185,352 3.209,353 4.23,354 0.86,355 11.168,356 3.134,357 4.077,358 3.361,359 6.017,360 3.688,361 2.713,362 3.472,363 0.86,364 8.569,365 2.637,366 3.914,367 3.025,368 5.982,369 3.524,370 2.532,371 3.437,372 0.86,373 8.37,374 2.512,375 3.684,376 2.669,377 5.393,378 3.316,379 2.347,380 3.005,381 0.4,382 6.957,383 2.269,384 3.522,385 2.641,386 5.381,387 3.136,388 2.182,389 2.893,391 6.711,392 2.08,393 3.341,394 2.574,395 5.187,396 2.971,397 2.041,398 2.581,400 6.139,401 1.929,402 3.179,403 2.356,404 4.821,405 2.919,406 1.927,407 2.306,409 5.078,410 1.863,411 2.949,412 1.976,413 4.235,414 2.778,415 1.802,416 2.142,418 3.973,419 1.741,420 2.934,421 1.943,422 4.116,423 2.729,424 1.744,425 1.946,427 3.794,428 1.709,429 2.83,430 1.833,431 3.988,432 2.523,433 1.544,434 1.819,436 3.482,437 1.512,438 2.708,439 1.669,440 3.89,441 2.47,442 1.494,443 1.691,445 3.329,446 1.453,447 2.596,448 1.524,449 3.714,450 2.345,451 1.347,452 1.605,454 3.24,455 1.343,456 2.491,457 1.44,458 3.594,459 2.251,460 1.284,461 1.489,463 2.902,464 1.24,465 2.431,466 1.35,467 3.574,468 2.242,469 1.247,470 1.402,472 2.859,473 1.229,474 20.367,475 0.474,476 0.76,477 0.018,478 49.5,479 1.151,480 22.5,481 0.523,482 27,483 0.628,484 46.603,485 1.084,486 48.033,487 0.559,488 39.003,489 0.907,490 9.004,491 0.209,492 12.08,493 0.281,494 0.082,496 0.295,501 0.777,502 1.3,503 0.866,504 1.185,505 0.564,506 1.057,507 0.95,508 1.169,509 0.94,510 1.087,511 0.601,512 1.023,513 0.865,514 1.03,515 0.829,516 0.938,517 0.759,518 0.884,519 0.757,520 1.063,521 0.93,522 1.014,523 0.881,524 0.99,525 0.961,526 1.05,527 1.018,528 1.045,529 0.922,530 1.034,531 1.191,532 1.022,533 1.183,534 1.058,535 1.163,536 1.111,537 0.583,538 1.016,539 0.98,540 1.068,541 0.79,542 1.082,543 0.865,544 0.956,545 0.988,546 0.978,547 1.119,548 0.998,549 6,550 0.153,551 3.778,552 3.063,553 2.729,554 1.257,555 0.748,556 0.429,557 0.238,558 0.188,559 43441,560 100866,561 2.1,562 50,563 18,564 17,567 2,568 2,569 4,572 1.805,573 2,574 4.139,575 0.068,582 123.44,583 1.435,584 3.402,585 4.508,586 5.211,587 5.571,588 5.804,589 3.487,590 4.851,591 5.409,592 4.463,593 4029.96,594 9.487,595 87588.2,600 552.659,601 1.254,602 5.373,603 0.128,604 0.005,605 0.06,606 0.044,607 0.041,608 0.021,609 0.015,610 0.01,611 0.006,612 0.006,613 0.335,614 0.33,615 0.63,616 0.651,617 260.154,618 -0.013,619 -0.078,620 0.057,621 -0.035,622 0.019,623 0.015,624 -0.016,625 -0.062,626 0.025,627 -0.026,628 0.075,630 0.076,631 0.001,632 0.153,633 0.063,634 0.09,635 0.111,636 0.266,637 -0.013,638 0.064,639 -0.029,640 0.15,641 -0.011,642 0.013,643 -0.028,644 -0.031,645 -0.058,646 0.124,647 -0.049,648 -0.109,649 -0.042,650 -0.185,651 -0.074,652 -0.094,653 -0.131,654 0.162,655 -0.063,656 -0.02,657 -0.081,658 0.096,659 -0.079,660 -0.044,661 -0.026,662 -0.013,663 -0.013,664 -0.057,665 -0.009,666 2.06,667 5.641,668 0.558,669 58.777,670 0.996,671 1.126,672 2.951,673 8.708,674 0.646,675 3.871,676 4.159,677 4.454,678 4.745,679 5.011,680 5.1,681 5.209,682 5.247,683 5.288,684 5.136,685 12.231,686 0.607,687 585.81,688 3.871,689 5.398,690 6.248,691 7.122,692 7.996,693 8.884,694 9.769,695 10.665,696 11.556,697 12.456,698 3.5,703 1,705 1,708 1,714 2,715 6,716 1,720 7,722 17,727 1,734 1,739 3,741 86,743 20,744 2,745 47,747 90,748 35,749 15,750 6,751 6,752 4,756 5,757 9,767 4,770 12,772 19,773 16,777 3,782 2,784 1,786 3,793 43,794 8,795 2,796 8,802 3,808 0.4,809 5,822 1,829 5,833 3,843 1,849 2,859 2,864 2,868 43,876 14,877 2,878 3,893 5.8,896 2,898 3,901 21.5,902 15.867,903 9.806,904 5.808,907 3.743,908 1.428,909 0.972,910 11.22,911 12.492,912 4.086,913 4.635,914 5.235,915 5.824,916 6.397,917 6.717,918 7.054,919 7.332,920 7.608,921 7.461,922 1,923 70,924 16.037,926 6.767,927 0.026,929 7.628,931 31.292,933 25.851,936 2.128,937 91.5,941 482.615,942 170.139,943 52.807,945 83.29,948 170.139,949 565.905,950 52.807,951 21.766,952 52.637,953 66.334,954 100.168,955 65.332,957 482.615,959 482.615,960 222.946,961 83.29,964 435.531,965 130.374,968 57.537,969 115.893,970 49.516,972 482.615,973 136.097,974 170.139,977 482.615,978 82.039,979 88.1,980 36.022,981 100.075,982 482.615,983 136.097,984 170.139,986 0.562,987 0.336,988 0.192,989 0.111,990 27,991 12,992 0.167,993 15,994 3,995 1.25,996 5.482,997 407.081,998 0.25,999 24,1000 231.329,1005 31.187,1006 15.47,1007 7.832,1008 2.357,1009 136.097,1010 11.713,1011 4.943,1015 5.419,1017 36.022,1018 788.851,1019 58.5,1024 25.262,1026 1.218,1028 -0.736,1031 85.614,1032 96.846,1034 0.223,1035 0.529,1036 0.702,1037 0.811,1038 0.867,1039 0.903,1040 5.319,1041 1.927,1042 6.205,1043 6.139,1044 4.844,1045 5.323,1046 2.079,1047 7.013,1048 4.788,1049 6.494,1050 1.802,1051 7.753,1052 5.078,1053 4.29,1054 5.147,1056 7.93,1057 4.221,1058 7.796,1059 1.744,1060 9.411,1061 3.973,1062 6.415,1063 7.518,1064 1.923,1065 11.088,1066 6.311,1067 9.14,1068 1.544,1069 11.139,1070 3.794,1071 6.758,1072 8.236,1074 12.893,1075 6.639,1076 10.524,1077 1.494,1078 12.912,1079 3.482,1080 8.295,1081 10.072,1082 1.832,1083 15.561,1084 8.15,1085 11.936,1086 1.347,1087 14.716,1088 3.329,1089 9.077,1090 11.2,1092 17.725,1093 8.915,1094 13.371,1095 1.284,1096 16.543,1097 3.24,1098 10.376,1099 12.83,1100 1.782,1101 20.229,1102 10.193,1103 3.226,1104 1.247,1105 18.387,1106 2.902,1107 11.368,1108 14.152,1110 22.542,1111 11.164,1112 3.209,1113 11.348,1114 20.244,1115 2.859,1116 12.575,1117 15.699,1118 1.767,1119 24.99,1120 12.351,1121 2.713,1122 11.168,1123 22.11,1124 4.564,1125 13.662,1126 17.113,1128 27.364,1129 13.416,1130 2.532,1131 8.569,1132 23.985,1133 4.23,1134 14.836,1135 18.628,1136 1.78,1137 29.793,1138 14.57,1139 2.347,1140 8.37,1141 25.867,1142 3.472,1143 15.965,1144 20.086,1146 32.193,1147 15.677,1148 2.182,1149 6.957,1150 27.754,1151 3.437,1152 17.129,1153 21.59,1154 1.816,1155 34.616,1156 16.821,1157 2.041,1158 6.711,1159 29.645,1160 3.005,1161 18.278,1162 23.07,1164 37.028,1165 17.947,1166 40331,1167 61939,1168 31.898,1169 55.518,1170 68.273,1171 71.345,1172 70.644,1173 68.011,1174 68.119,1175 84.666,1176 8.077,1177 189.808,1178 66.098,1179 5.621,1180 5.717,1181 6.774,1182 5.306,1183 5.226,1184 7.564,1185 2.117,1186 18.879,1187 5.162,1188 19.234,1189 1.453,1190 1.518,1191 1.503,1192 1.447,1193 1.449,1194 1.801,1195 0.172,1196 4.038,1197 1.406,1198 4.118,1199 4.149,1200 4.077,1201 4.044,1202 7.435,1203 4.048,1204 4.003,1205 4.004,1206 3.977,1207 3.899,1208 7.423,1209 3.916,1210 3.809,1211 3.871,1212 3.663,1213 3.689,1214 4.982,1215 3.671,1216 3.732,1217 3.781,1218 3.618,1219 3.649,1220 4.941,1221 3.635,1222 3.696,1223 3.757,1224 3.592,1225 3.54,1226 4.588,1227 3.539,1228 3.599,1229 3.64,1230 3.471,1231 3.449,1232 4.573,1233 3.456,1234 3.462,1235 3.523,1236 3.32,1237 3.293,1238 4.413,1239 3.285,1240 3.329,1241 3.385,1242 3.209,1243 3.155,1244 4.275,1245 3.15,1246 0.099,1247 0.079,1248 0.145,1249 0.09,1250 0.069,1251 4.64,1252 0.097,1253 3.717,1254 0.023,1255 6.829,1256 0.241,1257 4.207,1258 0.067,1259 3.226,1260 4.564,1261 1.058,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.44,1269 2.163,1270 1.925,1271 1.924,1272 2.061,1273 2.05,1274 1.421,1275 2.027,1276 1.815,1277 1.754,1278 1.981,1279 1.973,1280 1.286,1281 2.003,1282 1.754,1283 1.709,1284 1.951,1285 1.878,1286 1.15,1287 1.904,1288 1.689,1289 1.625,1290 1.939,1291 1.871,1292 1.107,1293 1.897,1294 1.551,1295 1.52,1296 1.773,1297 1.755,1298 1.066,1299 1.758,1300 1.449,1301 1.387,1302 1.641,1303 1.651,1304 0.825,1305 1.655,1306 1.293,1307 1.232,1308 1.588,1309 1.559,1310 0.753,1311 1.565,1312 4.554,1314 5.849,1316 7.356,1318 8.976,1320 10.663,1322 2.994,1328 15.412,1329 6.646,1330 16.273,1340 52.174,1341 123.44,1342 292.55,1343 387.691,1344 448.129,1345 479.149,1346 499.149,1347 95.296,1348 8.749,1349 102.69,1350 102.69,1351 30,1352 12.981,1353 4.392,1354 3.644,1355 72.563,1356 334,1357 220,1358 0.102,1359 317.698,1360 567.47,1361 766.944,1362 124919,1364 30.02,1365 0.698,1366 0.591,1367 30.02,1368 25.429,1369 21.084,1370 0.449,1371 0.334,1372 15.518,1373 20.324,1374 15.18,1375 12.64,1376 21.084,1377 15.712,1378 17.867,1379 0.284,1380 0.18,1381 17.867,1382 11.325,1383 15.292,1384 0.18,1385 0.098,1386 15.292,1387 8.308,1388 13.007,1389 0.114,1390 0.053,1391 13.007,1392 6.007,1393 10.99,1394 0.074,1395 0.029,1396 10.99,1397 4.379,1398 0.174,1399 132.023,1400 0.177,1401 39.846,1402 0.246,1403 220,1404 616.989,1405 239.778,1406 583.328,1407 801.7,1408 550,1409 258,1410 588.834,1411 278.446,1412 593.072,1413 872.96,1414 559,1415 8.638}
{0 CHEMBL2019038,1 1.515,2 20.386,3 8.001,4 64.021,5 175.496,6 7.212,7 0.354,8 4.529,9 4.644,10 4.063,11 4.066,12 5.549,13 4.031,14 5.111,15 5.289,16 4.413,17 4.468,18 6.087,19 4.402,20 5.395,21 5.62,22 4.537,23 4.621,24 6.346,25 4.534,26 5.421,27 5.642,28 4.541,29 4.614,30 6.453,31 4.522,32 5.441,33 5.676,34 4.436,35 4.611,36 6.425,37 4.498,38 5.455,39 5.692,40 4.329,41 4.587,42 6.354,43 4.445,44 5.422,45 5.684,46 4.237,47 4.539,48 6.296,49 4.362,50 5.353,51 5.624,52 4.066,53 4.426,54 6.184,55 4.243,56 0.023,57 1.171,58 18.737,59 8.537,60 9.697,61 11.185,62 0.276,63 1.915,64 37.044,65 14.561,66 36.306,67 19.574,68 0.571,69 2.399,70 53.548,71 18.73,72 64.82,73 25.953,74 0.977,75 2.467,76 54.487,77 18.52,78 92.542,79 26.038,80 0.633,81 2.476,82 54.7,83 19.316,84 97.995,85 26.958,86 0.795,87 2.409,88 57.414,89 19.832,90 88.553,91 27.273,92 0.769,93 2.303,94 58.374,95 20.26,96 88.477,97 28.526,98 0.597,99 2.09,100 57.659,101 18.584,102 81.52,103 25.98,104 30,105 65,106 0.227,107 0.524,108 0.687,109 0.785,110 0.836,111 0.871,112 3.809,113 1.012,114 -4.36,115 -4.29,116 -4.05,121 40.7,123 12,126 2,127 2,137 1,140 1,144 5,145 3,146 5,148 2,159 1,160 1,176 13,180 13,183 1,185 4,187 20,191 1,192 4,195 1,197 5,200 11,205 5,206 10,209 1,211 6,214 15,218 1,219 4,222 1,224 5,227 14,231 1,232 4,237 3,239 17,243 2,244 5,247 2,249 3,251 16,256 4,261 2,264 14,269 6,274 2,277 14,281 4342,282 30.275,283 30.275,284 30.275,285 30.275,286 30.275,287 27.847,288 34.557,289 18.347,290 30.989,291 23.64,292 23.64,293 23.64,294 23.64,295 23.64,296 19.5,297 40.814,298 8.655,299 24.631,300 4.911,301 2.931,302 1.85,303 1.192,304 0.855,305 0.622,306 4.515,308 1,312 1,313 1955,314 4.796,318 662.117,322 671.675,325 2.907,326 45.656,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 94.833,338 897,339 4.651,340 3.717,341 6.833,342 4.214,343 3.235,344 4.582,345 1.058,346 11.364,347 3.165,348 4.562,349 3.503,350 6.791,351 4.185,352 3.209,353 4.23,354 0.86,355 11.168,356 3.134,357 4.077,358 3.373,359 6.017,360 3.688,361 2.713,362 3.534,363 0.86,364 8.569,365 2.637,366 3.99,367 3.025,368 6.004,369 3.58,370 2.61,371 3.472,372 0.86,373 8.477,374 2.532,375 3.684,376 2.943,377 5.427,378 3.316,379 2.347,380 3.005,381 0.4,382 6.957,383 2.269,384 3.584,385 2.641,386 5.393,387 3.193,388 2.252,389 2.961,391 6.886,392 2.104,393 3.365,394 2.574,395 5.187,396 2.971,397 2.041,398 2.699,400 6.139,401 1.93,402 3.341,403 2.562,404 4.899,405 2.925,406 1.987,407 2.581,409 5.573,410 1.863,411 3.179,412 2.272,413 4.821,414 2.877,415 1.923,416 2.306,418 5.078,419 1.742,420 2.945,421 1.976,422 4.235,423 2.778,424 1.802,425 1.947,427 3.973,428 1.714,429 2.833,430 1.943,431 4.121,432 2.729,433 1.743,434 1.829,436 3.794,437 1.699,438 2.725,439 1.832,440 3.985,441 2.491,442 1.525,443 1.733,445 3.481,446 1.469,447 2.636,448 1.653,449 3.885,450 2.423,451 1.435,452 1.629,454 3.366,455 1.412,456 2.492,457 1.465,458 3.7,459 2.257,460 1.289,461 1.49,463 3.126,464 1.247,465 2.432,466 1.433,467 3.586,468 2.246,469 1.255,470 1.402,472 2.871,473 1.231,474 21.081,475 0.479,476 0.866,477 0.02,478 50.25,479 1.142,480 22.5,481 0.511,482 27.75,483 0.631,484 49.305,485 1.121,486 49.119,487 0.571,488 39.819,489 0.905,490 9.077,491 0.206,492 12.401,493 0.282,494 0.113,496 0.308,501 0.751,502 1.299,503 0.742,504 1.125,505 0.555,506 1.022,507 0.913,508 1.165,509 0.806,510 1.028,511 0.58,512 0.986,513 0.874,514 1.03,515 0.826,516 0.926,517 0.769,518 0.88,519 0.725,520 1.069,521 0.835,522 0.997,523 0.851,524 0.98,525 0.911,526 1.049,527 0.85,528 0.994,529 0.887,530 1.005,531 1.113,532 1.023,533 0.994,534 1.013,535 1.11,536 1.08,537 0.65,538 1.012,539 1.017,540 1.06,541 0.828,542 1.079,543 0.977,544 0.958,545 1.207,546 1.039,547 1.192,548 1.044,549 7,550 0.169,551 4,552 3.25,553 2.92,554 1.396,555 0.91,556 0.507,557 0.283,558 0.208,559 45798,560 116763,561 2.084,562 48.8,563 18,564 16,567 2,568 2,569 4,572 1.81,573 1.97,574 4.181,575 0.081,582 130.292,583 1.515,584 3.495,585 4.577,586 5.234,587 5.571,588 5.804,589 3.524,590 4.869,591 5.442,592 4.488,593 4245.83,594 9.555,595 93686.8,600 552.659,601 1.325,602 5.399,603 0.146,604 0.005,605 0.062,606 0.045,607 0.042,608 0.023,609 0.018,610 0.011,611 0.007,612 0.006,613 0.364,614 0.17,615 0.63,616 0.683,617 267.841,618 -0.02,619 -0.078,620 0.039,621 -0.033,622 0.014,623 0.014,624 -0.019,625 -0.058,626 0.043,627 -0.002,628 0.085,629 0.017,630 0.052,631 0.003,632 0.108,633 0.063,634 0.075,635 0.109,636 0.256,637 -0.017,638 0.064,639 -0.03,640 0.15,641 -0.009,642 0.012,643 -0.023,644 0.007,645 -0.029,646 0.117,647 -0.028,648 -0.077,649 -0.04,650 -0.088,651 -0.043,652 -0.075,653 -0.103,654 0.133,655 -0.06,656 -0.015,657 -0.065,658 0.076,659 -0.07,660 -0.086,661 -0.03,662 -0.092,663 -0.045,664 -0.094,665 -0.042,666 2.066,667 5.647,668 0.545,669 60.5,670 0.999,671 1.125,672 3.13,673 9.796,674 0.656,675 3.892,676 4.19,677 4.477,678 4.771,679 5.043,680 5.153,681 5.263,682 5.318,683 5.357,684 5.215,685 12.397,686 0.616,687 620.25,688 3.892,689 5.425,690 6.275,691 7.152,692 8.026,693 8.917,694 9.804,695 10.702,696 11.595,697 12.498,698 3.5,703 1,705 1,708 1,714 2,715 5,716 1,720 8,722 17,727 1,734 1,739 3,740 1,741 86,743 20,744 2,745 48,747 90,748 35,749 15,750 7,751 5,752 4,756 5,757 9,758 1,767 4,770 12,772 19,773 16,777 3,782 2,784 1,786 3,793 42,794 8,795 2,796 9,797 1,802 3,808 0.4,809 5,822 1,829 5,833 3,843 1,849 2,859 2,864 2,865 1,868 44,876 14,877 2,878 3,892 1,893 5.8,896 2,898 3,901 22.333,902 15.926,903 9.972,904 5.788,907 3.751,908 1.425,909 0.972,910 11.686,911 12.571,912 4.103,913 4.663,914 5.259,915 5.853,916 6.438,917 6.788,918 7.123,919 7.427,920 7.692,921 7.572,922 0.923,923 72,924 16.397,926 6.938,927 0.026,929 7.665,931 31.853,933 26.329,936 2.165,937 95.278,941 470.844,942 164.164,943 52.807,944 39.149,945 83.29,948 164.164,949 593.282,950 52.807,951 21.766,952 52.637,953 56.857,954 100.168,955 68.832,957 470.844,958 39.149,959 470.844,960 216.971,961 83.29,962 39.149,964 423.76,965 130.374,968 57.537,969 109.917,970 88.665,972 470.844,973 136.097,974 203.312,977 470.844,978 85.54,979 78.624,980 36.022,981 139.224,982 470.844,983 136.097,984 203.312,986 0.566,987 0.335,988 0.19,989 0.111,990 28,991 13,992 0.167,993 15,994 3,995 1.25,996 5.526,997 421.155,998 0.25,999 24,1000 240.215,1005 32.433,1006 15.854,1007 8.208,1008 2.164,1009 136.097,1010 9.233,1011 4.92,1015 5.986,1017 36.022,1018 810.253,1019 59.5,1024 25.276,1026 1.214,1028 -0.751,1031 85.938,1032 96.79,1034 0.236,1035 0.544,1036 0.712,1037 0.814,1038 0.867,1039 0.903,1040 5.344,1041 1.987,1042 6.24,1043 6.139,1044 4.875,1045 5.352,1046 2.079,1047 7.052,1048 4.801,1049 6.527,1050 1.923,1051 7.793,1052 5.573,1053 4.369,1054 5.223,1056 7.968,1057 4.255,1058 7.834,1059 1.802,1060 9.452,1061 5.078,1062 6.454,1063 7.556,1064 1.923,1065 11.119,1066 6.325,1067 9.182,1068 1.743,1069 11.177,1070 3.973,1071 6.815,1072 8.292,1074 12.912,1075 6.659,1076 10.568,1077 1.525,1078 12.947,1079 3.794,1080 8.333,1081 10.111,1082 1.832,1083 15.581,1084 8.162,1085 11.98,1086 1.435,1087 14.747,1088 3.481,1089 9.119,1090 11.246,1092 17.738,1093 8.928,1094 13.414,1095 1.289,1096 16.57,1097 3.366,1098 10.41,1099 12.869,1100 1.782,1101 20.243,1102 10.203,1103 3.235,1104 1.255,1105 18.41,1106 3.126,1107 11.402,1108 14.193,1110 22.553,1111 11.175,1112 3.209,1113 11.364,1114 20.264,1115 2.871,1116 12.605,1117 15.739,1118 1.767,1119 25.002,1120 12.36,1121 2.713,1122 11.168,1123 22.128,1124 4.582,1125 13.692,1126 17.155,1128 27.375,1129 13.426,1130 2.61,1131 8.569,1132 24.001,1133 4.23,1134 14.865,1135 18.671,1136 1.78,1137 29.805,1138 14.579,1139 2.347,1140 8.477,1141 25.88,1142 3.534,1143 15.994,1144 20.132,1146 32.205,1147 15.687,1148 2.252,1149 6.957,1150 27.766,1151 3.472,1152 17.158,1153 21.638,1154 1.816,1155 34.629,1156 16.83,1157 2.041,1158 6.886,1159 29.656,1160 3.005,1161 18.306,1162 23.121,1164 37.041,1165 17.957,1166 42667,1167 68519,1168 32.304,1169 56.375,1170 69.88,1171 73.22,1172 72.471,1173 69.822,1174 69.73,1175 86.447,1176 8.077,1177 196.009,1178 66.885,1179 5.632,1180 5.717,1181 6.778,1182 5.313,1183 5.235,1184 7.582,1185 2.117,1186 18.902,1187 5.165,1188 21.969,1189 1.456,1190 1.525,1191 1.51,1192 1.455,1193 1.453,1194 1.801,1195 0.168,1196 4.084,1197 1.393,1198 4.12,1199 4.148,1200 4.129,1201 4.049,1202 7.435,1203 4.053,1204 4.003,1205 4.004,1206 3.979,1207 3.899,1208 7.423,1209 3.916,1210 3.81,1211 3.871,1212 3.778,1213 3.69,1214 5.04,1215 3.672,1216 3.736,1217 3.78,1218 3.661,1219 3.659,1220 4.948,1221 3.643,1222 3.696,1223 3.757,1224 3.593,1225 3.54,1226 4.685,1227 3.539,1228 3.599,1229 3.64,1230 3.477,1231 3.45,1232 4.588,1233 3.456,1234 3.463,1235 3.523,1236 3.398,1237 3.296,1238 4.573,1239 3.288,1240 3.331,1241 3.385,1242 3.296,1243 3.173,1244 4.275,1245 3.164,1246 0.097,1247 0.077,1248 0.142,1249 0.088,1250 0.067,1251 4.651,1252 0.095,1253 3.717,1254 0.022,1255 6.833,1256 0.237,1257 4.214,1258 0.066,1259 3.235,1260 4.582,1261 1.058,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.149,1267 2.158,1268 1.44,1269 2.159,1270 1.925,1271 1.924,1272 2.061,1273 2.05,1274 1.421,1275 2.027,1276 1.815,1277 1.754,1278 1.981,1279 1.972,1280 1.286,1281 2.003,1282 1.75,1283 1.709,1284 1.944,1285 1.877,1286 1.15,1287 1.902,1288 1.688,1289 1.625,1290 1.922,1291 1.862,1292 1.107,1293 1.889,1294 1.55,1295 1.52,1296 1.771,1297 1.755,1298 1.065,1299 1.757,1300 1.449,1301 1.387,1302 1.64,1303 1.65,1304 0.825,1305 1.654,1306 1.288,1307 1.233,1308 1.588,1309 1.558,1310 0.752,1311 1.564,1312 4.575,1314 5.878,1316 7.387,1318 9.009,1320 10.698,1322 2.989,1323 6.253,1328 15.105,1329 6.619,1330 16.272,1340 53.002,1341 130.292,1342 300.591,1343 393.591,1344 450.129,1345 479.149,1346 499.149,1347 101.561,1348 8.82,1349 102.69,1350 102.69,1351 30,1352 13.02,1353 4.392,1354 3.644,1355 75.181,1356 347,1357 232,1358 0.102,1359 326.031,1360 582.68,1361 787.276,1362 135448,1363 1.2,1364 30.89,1365 0.702,1366 0.602,1367 31.39,1368 26.486,1369 21.478,1370 0.447,1371 0.337,1372 15.647,1373 20.409,1374 15.273,1375 12.689,1376 21.767,1377 16.19,1378 18.5,1379 0.285,1380 0.183,1381 18.909,1382 11.906,1383 15.628,1384 0.18,1385 0.099,1386 15.89,1387 8.598,1388 13.271,1389 0.113,1390 0.053,1391 13.506,1392 6.199,1393 11.207,1394 0.073,1395 0.029,1396 11.438,1397 4.542,1398 0.174,1399 137.561,1400 0.176,1401 40.539,1402 0.246,1403 226,1404 651.192,1405 261.297,1406 645.486,1407 873.07,1408 606,1409 265,1410 615.696,1411 295.205,1412 629.721,1413 926.54,1414 593,1415 9.456}
{0 CHEMBL2019040,1 1.435,2 20.326,3 7.337,4 53.83,5 170.692,6 6.812,7 0.362,8 4.526,9 4.645,10 4.013,11 4.051,12 5.535,13 4.016,14 5.107,15 5.289,16 4.341,17 4.448,18 6.061,19 4.382,20 5.39,21 5.621,22 4.473,23 4.597,24 6.335,25 4.51,26 5.414,27 5.644,28 4.432,29 4.591,30 6.38,31 4.496,32 5.437,33 5.674,34 4.357,35 4.588,36 6.425,37 4.47,38 5.433,39 5.684,40 4.213,41 4.566,42 6.296,43 4.415,44 5.435,45 5.709,46 4.066,47 4.496,48 6.265,49 4.318,50 5.309,51 5.588,52 3.939,53 4.369,54 6.12,55 4.188,56 0.045,57 1.182,58 19.539,59 8.591,60 10.546,61 11.442,62 0.295,63 1.931,64 36.983,65 14.391,66 34.473,67 19.756,68 0.649,69 2.419,70 50.786,71 18.183,72 67.082,73 25.921,74 0.695,75 2.478,76 52.297,77 18.083,78 74.212,79 25.824,80 0.888,81 2.469,82 53.942,83 18.756,84 107.618,85 26.756,86 0.575,87 2.431,88 53.312,89 19.532,90 72.276,91 27.848,92 0.712,93 2.339,94 54.317,95 19.407,96 84.859,97 27.948,98 0.613,99 2.068,100 47.793,101 17.152,102 73.932,103 24.877,104 21,105 63,106 0.215,107 0.51,108 0.676,109 0.782,110 0.832,111 0.86,112 3.787,113 1.003,114 -4.18,115 -4.12,116 -3.9,121 40.7,123 12,126 2,127 2,137 1,140 1,144 6,145 3,146 4,148 2,159 1,160 1,176 16,180 11,183 1,185 4,187 17,191 2,192 10,195 1,197 5,200 13,205 2,206 5,209 1,211 6,214 13,218 3,219 5,222 1,224 6,227 16,231 1,232 5,237 3,239 17,243 1,244 4,247 1,249 2,251 16,255 1,256 4,259 1,261 2,264 14,269 5,274 2,277 14,281 4140,282 29.827,283 29.827,284 29.827,285 29.827,286 29.827,287 27.425,288 31.561,289 18.18,290 30.399,291 23.145,292 23.145,293 23.145,294 23.145,295 23.145,296 19.08,297 35.789,298 8.548,299 23.866,300 4.991,301 3.025,302 1.918,303 1.215,304 0.878,305 0.692,306 4.495,312 1,313 1912,314 4.743,318 650.085,322 660.065,325 3.032,326 41.991,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 92.5,338 874,339 4.64,340 3.699,341 6.829,342 4.207,343 3.226,344 4.564,345 1.058,346 11.348,347 3.162,348 4.514,349 3.478,350 6.58,351 4.132,352 3.157,353 4.177,354 0.86,355 10.482,356 3.082,357 4.122,358 3.361,359 6.081,360 3.725,361 2.765,362 3.548,363 0.86,364 8.806,365 2.652,366 3.914,367 3.169,368 5.982,369 3.524,370 2.532,371 3.437,372 0.86,373 8.37,374 2.512,375 3.813,376 2.735,377 5.902,378 3.47,379 2.487,380 3.136,381 0.4,382 8.067,383 2.422,384 3.522,385 2.669,386 5.381,387 3.136,388 2.182,389 2.893,391 6.711,392 2.08,393 3.331,394 2.356,395 5.088,396 2.939,397 1.976,398 2.547,400 5.903,401 1.925,402 3.016,403 2.195,404 4.466,405 2.928,406 1.933,407 2.142,409 4.359,410 1.879,411 2.943,412 2.072,413 4.235,414 2.75,415 1.766,416 2.089,418 3.929,419 1.736,420 2.923,421 1.953,422 4.116,423 2.558,424 1.592,425 1.936,427 3.786,428 1.531,429 2.791,430 1.834,431 3.988,432 2.513,433 1.532,434 1.798,436 3.493,437 1.501,438 2.701,439 1.669,440 3.891,441 2.443,442 1.491,443 1.686,445 3.329,446 1.414,447 2.596,448 1.524,449 3.718,450 2.345,451 1.347,452 1.606,454 3.248,455 1.343,456 2.491,457 1.44,458 3.594,459 2.267,460 1.309,461 1.489,463 2.902,464 1.24,465 2.432,466 1.35,467 3.579,468 2.242,469 1.247,470 1.408,472 2.875,473 1.236,474 20.367,475 0.474,476 0.76,477 0.018,478 49.5,479 1.151,480 22.5,481 0.523,482 27,483 0.628,484 46.484,485 1.081,486 48.033,487 0.559,488 38.882,489 0.904,490 9.003,491 0.209,492 12.081,493 0.281,494 0.082,496 0.295,501 0.777,502 1.3,503 0.866,504 1.185,505 0.564,506 1.057,507 0.95,508 1.169,509 0.94,510 1.087,511 0.606,512 1.023,513 0.801,514 1.03,515 0.821,516 0.94,517 0.721,518 0.888,519 0.96,520 1.072,521 0.982,522 1.02,523 0.994,524 0.998,525 0.932,526 1.012,527 1.039,528 1.011,529 0.855,530 1.03,531 0.855,532 1.076,533 1.067,534 1.112,535 0.894,536 1.118,537 0.848,538 0.958,539 1.026,540 1.004,541 1.092,542 1.038,543 0.745,544 0.961,545 0.985,546 1,547 1.02,548 1.025,549 6,550 0.153,551 4.222,552 2.563,553 2.849,554 1.194,555 0.726,556 0.457,557 0.263,558 0.188,559 43721,560 101666,561 2.1,562 50,563 18,564 17,567 2,568 2,569 4,572 1.805,573 2,574 4.183,575 0.068,582 123.44,583 1.435,584 3.402,585 4.508,586 5.211,587 5.548,588 5.734,589 3.562,590 4.915,591 5.408,592 4.492,593 4055.92,594 9.486,595 88164.9,600 552.659,601 1.254,602 5.373,603 0.128,604 0.005,605 0.067,606 0.037,607 0.044,608 0.02,609 0.015,610 0.011,611 0.007,612 0.005,613 0.338,614 0.33,615 0.63,616 0.651,617 260.425,618 -0.013,619 -0.078,620 0.057,621 -0.035,622 0.019,623 0.015,624 -0.016,625 -0.062,626 0.025,627 -0.026,628 0.071,630 0.142,631 0.002,632 0.161,633 0.061,634 0.129,635 0.106,636 0.061,637 -0.024,638 0.012,639 -0.037,640 0.036,641 -0.019,642 0.101,643 0.006,644 -0.044,645 -0.029,646 0.159,647 -0.051,648 -0.005,649 -0.088,650 -0.098,651 -0.115,652 0.009,653 -0.118,654 0.02,655 -0.019,656 -0.049,657 -0.03,658 -0.024,659 -0.047,660 0.059,661 -0.023,662 -0.014,663 -0.026,665 -0.031,666 2.053,667 5.596,668 0.558,669 59.681,670 0.996,671 1.126,672 2.951,673 8.708,674 0.646,675 3.871,676 4.159,677 4.454,678 4.727,679 5.004,680 5.094,681 5.198,682 5.263,683 5.313,684 5.136,685 12.323,686 0.607,687 585.81,688 3.871,689 5.398,690 6.248,691 7.119,692 7.993,693 8.876,694 9.761,695 10.653,696 11.544,697 12.44,698 3.5,703 1,705 1,708 1,714 2,715 6,716 1,720 7,722 17,727 1,734 1,739 3,741 86,743 20,744 2,745 47,747 90,748 35,749 15,750 6,751 6,752 4,756 5,757 9,767 4,770 12,772 19,773 16,777 3,782 2,784 1,786 3,793 43,794 8,795 2,796 8,802 3,808 0.4,809 5,822 1,829 5,833 3,843 1,849 2,859 2,864 2,868 43,876 14,877 2,878 3,893 5.8,896 2,898 3,901 21.5,902 15.867,903 9.806,904 5.808,907 3.715,908 1.425,909 0.972,910 11.22,911 12.464,912 4.086,913 4.635,914 5.235,915 5.808,916 6.398,917 6.717,918 7.057,919 7.348,920 7.624,921 7.457,922 0.923,923 70,924 16.032,926 6.761,927 0.026,929 7.628,931 31.292,933 25.851,936 2.128,937 91.5,941 482.615,942 170.139,943 52.807,945 83.29,948 170.139,949 565.905,950 52.807,951 21.766,952 52.637,953 66.334,954 100.168,955 65.332,957 482.615,959 482.615,960 222.946,961 83.29,964 435.531,965 130.374,968 57.537,969 115.893,970 49.516,972 482.615,973 136.097,974 170.139,977 482.615,978 82.039,979 88.1,980 36.022,981 100.075,982 482.615,983 136.097,984 170.139,986 0.563,987 0.337,988 0.19,989 0.109,990 27,991 12,992 0.167,993 15,994 3,995 1.25,996 5.498,997 405.791,998 0.25,999 24,1000 229.329,1005 31.187,1006 15.47,1007 7.832,1008 2.357,1009 136.097,1010 11.642,1011 4.943,1015 5.534,1017 36.022,1018 788.851,1019 58.5,1024 25.15,1026 1.228,1028 -0.688,1031 85.614,1032 96.846,1034 0.223,1035 0.529,1036 0.702,1037 0.811,1038 0.863,1039 0.892,1040 5.319,1041 1.933,1042 6.205,1043 5.903,1044 4.844,1045 5.323,1046 2.079,1047 7.009,1048 4.788,1049 6.494,1050 1.766,1051 7.753,1052 4.359,1053 4.29,1054 5.147,1056 7.915,1057 4.221,1058 7.796,1059 1.592,1060 9.411,1061 3.929,1062 6.415,1063 7.518,1064 1.923,1065 11.061,1066 6.31,1067 9.14,1068 1.532,1069 11.136,1070 3.786,1071 6.758,1072 8.236,1074 12.834,1075 6.635,1076 10.524,1077 1.491,1078 12.905,1079 3.493,1080 8.292,1081 10.07,1082 1.832,1083 15.484,1084 8.143,1085 11.935,1086 1.347,1087 14.704,1088 3.329,1089 9.067,1090 11.193,1092 17.607,1093 8.897,1094 13.368,1095 1.309,1096 16.523,1097 3.248,1098 10.361,1099 12.82,1100 1.782,1101 20.091,1102 10.169,1103 3.226,1104 1.247,1105 18.357,1106 2.902,1107 11.342,1108 14.135,1110 22.366,1111 11.128,1112 3.157,1113 11.348,1114 20.202,1115 2.875,1116 12.542,1117 15.679,1118 1.767,1119 24.793,1120 12.307,1121 2.765,1122 10.482,1123 22.056,1124 4.564,1125 13.617,1126 17.087,1128 27.138,1129 13.36,1130 2.532,1131 8.806,1132 23.917,1133 4.177,1134 14.782,1135 18.6,1136 1.78,1137 29.548,1138 14.506,1139 2.487,1140 8.37,1141 25.784,1142 3.548,1143 15.9,1144 20.054,1146 31.926,1147 15.602,1148 2.182,1149 8.067,1150 27.656,1151 3.437,1152 17.056,1153 21.557,1154 1.816,1155 34.333,1156 16.737,1157 1.976,1158 6.711,1159 29.532,1160 3.136,1161 18.194,1162 23.035,1164 36.728,1165 17.854,1166 40595,1167 62387,1168 31.898,1169 55.518,1170 68.306,1171 71.393,1172 70.694,1173 68.088,1174 68.174,1175 84.752,1176 8.077,1177 190.063,1178 66.16,1179 5.621,1180 5.699,1181 6.774,1182 5.306,1183 5.226,1184 7.564,1185 2.117,1186 18.879,1187 5.162,1188 19.3,1189 1.453,1190 1.519,1191 1.504,1192 1.449,1193 1.451,1194 1.803,1195 0.172,1196 4.044,1197 1.408,1198 4.118,1199 4.149,1200 4.077,1201 4.044,1202 7.435,1203 4.048,1204 4.002,1205 4.004,1206 3.975,1207 3.899,1208 7.423,1209 3.915,1210 3.809,1211 3.871,1212 3.665,1213 3.689,1214 4.984,1215 3.671,1216 3.732,1217 3.781,1218 3.619,1219 3.649,1220 4.947,1221 3.635,1222 3.698,1223 3.758,1224 3.598,1225 3.54,1226 4.625,1227 3.54,1228 3.605,1229 3.643,1230 3.476,1231 3.451,1232 4.493,1233 3.459,1234 3.468,1235 3.529,1236 3.328,1237 3.294,1238 4.413,1239 3.287,1240 3.325,1241 3.388,1242 3.205,1243 3.156,1244 4.275,1245 3.152,1246 0.099,1247 0.079,1248 0.145,1249 0.09,1250 0.069,1251 4.64,1252 0.097,1253 3.699,1254 0.023,1255 6.829,1256 0.241,1257 4.207,1258 0.067,1259 3.226,1260 4.564,1261 1.058,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.44,1269 2.163,1270 1.926,1271 1.924,1272 2.061,1273 2.049,1274 1.421,1275 2.028,1276 1.815,1277 1.754,1278 1.983,1279 1.973,1280 1.286,1281 2.003,1282 1.754,1283 1.709,1284 1.951,1285 1.878,1286 1.15,1287 1.904,1288 1.689,1289 1.625,1290 1.939,1291 1.871,1292 1.107,1293 1.897,1294 1.551,1295 1.523,1296 1.773,1297 1.759,1298 1.066,1299 1.758,1300 1.451,1301 1.389,1302 1.645,1303 1.66,1304 0.825,1305 1.662,1306 1.294,1307 1.233,1308 1.576,1309 1.529,1310 0.753,1311 1.542,1312 4.554,1314 5.849,1316 7.356,1318 8.973,1320 10.657,1322 3.011,1328 15.432,1329 6.647,1330 16.245,1340 52.174,1341 123.44,1342 292.55,1343 387.691,1344 448.129,1345 477.149,1346 493.149,1347 94.813,1348 8.749,1349 102.69,1350 102.69,1351 30,1352 12.966,1353 4.392,1354 3.644,1355 72.569,1356 336,1357 243,1358 0.101,1359 317.698,1360 567.47,1361 766.944,1362 124927,1364 30.02,1365 0.698,1366 0.591,1367 30.02,1368 25.429,1369 21.084,1370 0.449,1371 0.334,1372 15.518,1373 20.329,1374 15.18,1375 12.64,1376 21.084,1377 15.712,1378 17.847,1379 0.283,1380 0.18,1381 17.847,1382 11.326,1383 15.405,1384 0.181,1385 0.098,1386 15.405,1387 8.317,1388 12.877,1389 0.115,1390 0.053,1391 12.877,1392 5.982,1393 10.892,1394 0.074,1395 0.029,1396 10.892,1397 4.361,1398 0.173,1399 132.023,1400 0.177,1401 39.894,1402 0.244,1403 220,1404 616.989,1405 239.778,1406 583.345,1407 801.72,1408 550,1409 258,1410 588.834,1411 278.889,1412 593.121,1413 873.08,1414 559,1415 8.745}
{0 CHEMBL2019041,1 1.515,2 20.932,3 8.001,4 64.021,5 175.496,6 7.212,7 0.354,8 4.529,9 4.644,10 4.063,11 4.066,12 5.549,13 4.031,14 5.111,15 5.289,16 4.413,17 4.468,18 6.085,19 4.402,20 5.395,21 5.62,22 4.542,23 4.62,24 6.363,25 4.533,26 5.419,27 5.643,28 4.505,29 4.608,30 6.407,31 4.515,32 5.44,33 5.673,34 4.428,35 4.605,36 6.438,37 4.489,38 5.438,39 5.683,40 4.339,41 4.589,42 6.323,43 4.443,44 5.443,45 5.708,46 4.214,47 4.535,48 6.302,49 4.359,50 5.321,51 5.586,52 4.07,53 4.414,54 6.176,55 4.232,56 0.023,57 1.171,58 18.737,59 8.537,60 9.697,61 11.185,62 0.276,63 1.915,64 37.044,65 14.561,66 35.584,67 19.574,68 0.659,69 2.399,70 53.62,71 18.741,72 70.612,73 26.026,74 0.727,75 2.462,76 54.344,77 18.469,78 79.198,79 25.817,80 0.881,81 2.46,82 55.044,83 19.179,84 108.925,85 26.783,86 0.605,87 2.413,88 55.842,89 20,90 76.354,91 27.983,92 0.759,93 2.313,94 60.217,95 20.337,96 91.981,97 28.395,98 0.693,99 2.034,100 55.783,101 18.198,102 84.409,103 25.414,104 30,105 65,106 0.227,107 0.524,108 0.687,109 0.785,110 0.832,111 0.86,112 3.809,113 1.012,114 -4.36,115 -4.29,116 -4.05,121 40.7,123 12,126 2,127 2,137 1,140 1,144 5,145 3,146 5,148 2,159 1,160 1,176 14,180 11,183 1,185 4,187 18,191 2,192 9,195 1,197 5,200 13,205 2,206 6,209 1,211 6,214 14,218 3,219 5,222 1,224 5,227 14,231 1,232 5,237 4,239 17,243 1,244 4,247 1,249 2,251 16,255 1,256 4,259 1,261 2,264 15,269 5,274 2,277 14,281 4382,282 30.275,283 30.275,284 30.275,285 30.275,286 30.275,287 27.847,288 33.162,289 18.317,290 30.983,291 23.628,292 23.628,293 23.628,294 23.628,295 23.628,296 19.493,297 36.43,298 8.628,299 24.615,300 4.911,301 2.931,302 1.85,303 1.192,304 0.878,305 0.692,306 4.515,308 1,312 1,313 2008,314 4.796,318 665.546,322 674.996,325 2.993,326 45.378,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 94.833,338 921,339 4.651,340 3.699,341 6.833,342 4.214,343 3.235,344 4.582,345 1.058,346 11.364,347 3.165,348 4.514,349 3.478,350 6.58,351 4.132,352 3.157,353 4.177,354 0.86,355 10.482,356 3.082,357 4.122,358 3.373,359 6.081,360 3.725,361 2.765,362 3.548,363 0.86,364 8.806,365 2.652,366 3.99,367 3.169,368 6.004,369 3.58,370 2.61,371 3.534,372 0.86,373 8.477,374 2.532,375 3.813,376 2.943,377 5.902,378 3.47,379 2.487,380 3.136,381 0.4,382 8.067,383 2.422,384 3.584,385 2.735,386 5.427,387 3.193,388 2.252,389 2.961,391 6.886,392 2.104,393 3.365,394 2.562,395 5.088,396 2.94,397 1.988,398 2.699,400 5.903,401 1.927,402 3.331,403 2.272,404 4.899,405 2.933,406 1.976,407 2.547,409 5.573,410 1.879,411 3.016,412 2.195,413 4.466,414 2.878,415 1.929,416 2.089,418 4.359,419 1.74,420 2.928,421 2.072,422 4.235,423 2.748,424 1.766,425 1.938,427 3.929,428 1.701,429 2.796,430 1.953,431 4.121,432 2.556,433 1.591,434 1.81,436 3.787,437 1.527,438 2.716,439 1.833,440 3.985,441 2.46,442 1.509,443 1.725,445 3.492,446 1.433,447 2.636,448 1.654,449 3.887,450 2.419,451 1.436,452 1.631,454 3.37,455 1.402,456 2.492,457 1.465,458 3.705,459 2.27,460 1.312,461 1.49,463 3.133,464 1.247,465 2.433,466 1.433,467 3.589,468 2.248,469 1.256,470 1.408,472 2.884,473 1.237,474 21.081,475 0.479,476 0.866,477 0.02,478 50.25,479 1.142,480 22.5,481 0.511,482 27.75,483 0.631,484 49.184,485 1.118,486 49.119,487 0.571,488 39.697,489 0.902,490 9.076,491 0.206,492 12.402,493 0.282,494 0.113,496 0.308,501 0.751,502 1.299,503 0.742,504 1.125,505 0.555,506 1.022,507 0.913,508 1.165,509 0.806,510 1.028,511 0.584,512 0.986,513 0.815,514 1.03,515 0.819,516 0.928,517 0.734,518 0.885,519 0.911,520 1.078,521 0.876,522 1.002,523 0.957,524 0.988,525 0.884,526 1.011,527 0.867,528 0.961,529 0.823,530 1.001,531 0.806,532 1.077,533 0.903,534 1.066,535 0.858,536 1.086,537 0.891,538 0.954,539 1.049,540 0.997,541 1.11,542 1.035,543 0.872,544 0.962,545 1.219,546 1.064,547 1.105,548 1.073,549 7,550 0.169,551 4.444,552 2.75,553 3.04,554 1.333,555 0.888,556 0.535,557 0.308,558 0.208,559 46086,560 117627,561 2.084,562 48.8,563 18,564 16,567 2,568 2,569 4,572 1.81,573 1.97,574 4.223,575 0.081,582 130.292,583 1.515,584 3.495,585 4.577,586 5.234,587 5.548,588 5.734,589 3.618,590 5.05,591 5.441,592 4.514,593 4270.54,594 9.554,595 94286,600 552.659,601 1.325,602 5.399,603 0.146,604 0.005,605 0.068,606 0.038,607 0.045,608 0.022,609 0.017,610 0.012,611 0.008,612 0.006,613 0.367,614 0.17,615 0.63,616 0.683,617 268.11,618 -0.02,619 -0.078,620 0.039,621 -0.033,622 0.014,623 0.014,624 -0.019,625 -0.058,626 0.043,627 -0.002,628 0.081,629 0.017,630 0.112,631 0.003,632 0.114,633 0.061,634 0.112,635 0.104,636 0.069,637 -0.027,638 0.023,639 -0.037,640 0.043,641 -0.017,642 0.091,643 0.012,644 -0.003,645 -0.001,646 0.15,647 -0.029,648 0.024,649 -0.087,650 -0.016,651 -0.084,652 0.025,653 -0.09,654 0.001,655 -0.015,656 -0.037,657 -0.013,658 -0.038,659 -0.038,660 0.007,661 -0.028,662 -0.099,663 -0.061,664 -0.042,665 -0.067,666 2.059,667 5.604,668 0.545,669 61.409,670 0.999,671 1.125,672 3.13,673 9.796,674 0.656,675 3.892,676 4.19,677 4.477,678 4.754,679 5.037,680 5.147,681 5.252,682 5.333,683 5.38,684 5.215,685 12.487,686 0.616,687 620.25,688 3.892,689 5.425,690 6.275,691 7.149,692 8.023,693 8.91,694 9.796,695 10.69,696 11.583,697 12.481,698 3.5,703 1,705 1,708 1,714 2,715 5,716 1,720 8,722 17,727 1,734 1,739 3,740 1,741 86,743 20,744 2,745 48,747 90,748 35,749 15,750 7,751 5,752 4,756 5,757 9,758 1,767 4,770 12,772 19,773 16,777 3,782 2,784 1,786 3,793 42,794 8,795 2,796 9,797 1,802 3,808 0.4,809 5,822 1,829 5,833 3,843 1,849 2,859 2,864 2,865 1,868 44,876 14,877 2,878 3,892 1,893 5.8,896 2,898 3,901 22.333,902 15.926,903 9.972,904 5.788,907 3.723,908 1.422,909 0.972,910 11.686,911 12.543,912 4.103,913 4.663,914 5.259,915 5.838,916 6.44,917 6.787,918 7.127,919 7.441,920 7.707,921 7.568,922 1,923 72,924 16.392,926 6.933,927 0.026,929 7.665,931 31.853,933 26.329,936 2.165,937 95.278,941 470.844,942 164.164,943 52.807,944 39.149,945 83.29,948 164.164,949 593.282,950 52.807,951 21.766,952 52.637,953 56.857,954 100.168,955 68.832,957 470.844,958 39.149,959 470.844,960 216.971,961 83.29,962 39.149,964 423.76,965 130.374,968 57.537,969 109.917,970 88.665,972 470.844,973 136.097,974 203.312,977 470.844,978 85.54,979 78.624,980 36.022,981 139.224,982 470.844,983 136.097,984 203.312,986 0.567,987 0.336,988 0.188,989 0.109,990 28,991 13,992 0.167,993 15,994 3,995 1.25,996 5.542,997 419.858,998 0.25,999 24,1000 238.215,1005 32.433,1006 15.854,1007 8.208,1008 2.165,1009 136.097,1010 9.162,1011 4.92,1015 6.101,1017 36.022,1018 810.253,1019 59.5,1024 25.164,1026 1.224,1028 -0.703,1031 85.938,1032 96.79,1034 0.236,1035 0.544,1036 0.712,1037 0.814,1038 0.863,1039 0.892,1040 5.344,1041 1.976,1042 6.24,1043 5.903,1044 4.875,1045 5.352,1046 2.079,1047 7.048,1048 4.801,1049 6.527,1050 1.929,1051 7.793,1052 5.573,1053 4.369,1054 5.223,1056 7.953,1057 4.255,1058 7.834,1059 1.766,1060 9.451,1061 4.359,1062 6.454,1063 7.556,1064 1.923,1065 11.092,1066 6.324,1067 9.182,1068 1.591,1069 11.175,1070 3.929,1071 6.815,1072 8.292,1074 12.854,1075 6.655,1076 10.567,1077 1.509,1078 12.941,1079 3.787,1080 8.33,1081 10.109,1082 1.832,1083 15.505,1084 8.155,1085 11.979,1086 1.436,1087 14.736,1088 3.492,1089 9.11,1090 11.239,1092 17.622,1093 8.91,1094 13.411,1095 1.312,1096 16.551,1097 3.37,1098 10.396,1099 12.859,1100 1.782,1101 20.107,1102 10.18,1103 3.235,1104 1.256,1105 18.381,1106 3.133,1107 11.378,1108 14.177,1110 22.38,1111 11.139,1112 3.157,1113 11.364,1114 20.223,1115 2.884,1116 12.573,1117 15.72,1118 1.767,1119 24.808,1120 12.317,1121 2.765,1122 10.482,1123 22.075,1124 4.582,1125 13.649,1126 17.131,1128 27.152,1129 13.37,1130 2.61,1131 8.806,1132 23.934,1133 4.177,1134 14.813,1135 18.644,1136 1.78,1137 29.563,1138 14.515,1139 2.487,1140 8.477,1141 25.799,1142 3.548,1143 15.931,1144 20.102,1146 31.942,1147 15.612,1148 2.252,1149 8.067,1150 27.669,1151 3.534,1152 17.086,1153 21.606,1154 1.816,1155 34.35,1156 16.747,1157 1.988,1158 6.886,1159 29.544,1160 3.136,1161 18.225,1162 23.087,1164 36.746,1165 17.864,1166 42939,1167 68991,1168 32.304,1169 56.375,1170 69.912,1171 73.268,1172 72.531,1173 69.9,1174 69.785,1175 86.533,1176 8.077,1177 196.265,1178 66.947,1179 5.632,1180 5.699,1181 6.778,1182 5.313,1183 5.235,1184 7.582,1185 2.117,1186 18.902,1187 5.165,1188 22.03,1189 1.456,1190 1.526,1191 1.511,1192 1.456,1193 1.454,1194 1.803,1195 0.168,1196 4.089,1197 1.395,1198 4.12,1199 4.148,1200 4.129,1201 4.049,1202 7.435,1203 4.053,1204 4.002,1205 4.004,1206 3.977,1207 3.899,1208 7.423,1209 3.916,1210 3.81,1211 3.871,1212 3.778,1213 3.69,1214 5.041,1215 3.672,1216 3.736,1217 3.78,1218 3.663,1219 3.659,1220 4.955,1221 3.643,1222 3.698,1223 3.758,1224 3.599,1225 3.54,1226 4.685,1227 3.54,1228 3.605,1229 3.642,1230 3.482,1231 3.451,1232 4.625,1233 3.459,1234 3.468,1235 3.529,1236 3.4,1237 3.297,1238 4.493,1239 3.29,1240 3.328,1241 3.387,1242 3.304,1243 3.174,1244 4.275,1245 3.166,1246 0.097,1247 0.077,1248 0.142,1249 0.088,1250 0.067,1251 4.651,1252 0.095,1253 3.699,1254 0.022,1255 6.833,1256 0.237,1257 4.214,1258 0.066,1259 3.235,1260 4.582,1261 1.058,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.149,1267 2.158,1268 1.44,1269 2.159,1270 1.926,1271 1.924,1272 2.061,1273 2.049,1274 1.421,1275 2.028,1276 1.815,1277 1.754,1278 1.983,1279 1.972,1280 1.286,1281 2.003,1282 1.75,1283 1.709,1284 1.944,1285 1.878,1286 1.15,1287 1.902,1288 1.688,1289 1.625,1290 1.922,1291 1.862,1292 1.107,1293 1.889,1294 1.551,1295 1.523,1296 1.771,1297 1.758,1298 1.065,1299 1.758,1300 1.45,1301 1.389,1302 1.645,1303 1.659,1304 0.825,1305 1.661,1306 1.29,1307 1.234,1308 1.576,1309 1.527,1310 0.752,1311 1.541,1312 4.575,1314 5.878,1316 7.387,1318 9.007,1320 10.692,1322 3.006,1323 6.252,1328 15.125,1329 6.619,1330 16.244,1340 53.002,1341 130.292,1342 300.591,1343 393.591,1344 450.129,1345 477.149,1346 493.149,1347 101.076,1348 8.82,1349 102.69,1350 102.69,1351 30,1352 13.006,1353 4.392,1354 3.644,1355 75.188,1356 349,1357 256,1358 0.101,1359 326.031,1360 582.68,1361 787.276,1362 135456,1363 1.2,1364 30.89,1365 0.702,1366 0.602,1367 31.39,1368 26.486,1369 21.478,1370 0.447,1371 0.337,1372 15.647,1373 20.413,1374 15.273,1375 12.69,1376 21.767,1377 16.19,1378 18.481,1379 0.284,1380 0.183,1381 18.889,1382 11.906,1383 15.741,1384 0.181,1385 0.099,1386 16.003,1387 8.608,1388 13.141,1389 0.114,1390 0.054,1391 13.376,1392 6.174,1393 11.108,1394 0.073,1395 0.03,1396 11.34,1397 4.524,1398 0.173,1399 137.561,1400 0.176,1401 40.587,1402 0.244,1403 226,1404 651.192,1405 261.297,1406 645.502,1407 873.09,1408 606,1409 265,1410 615.696,1411 295.647,1412 629.77,1413 926.66,1414 593,1415 9.699}
{0 CHEMBL2019043,1 1.426,2 19.5,3 7.102,4 50.443,5 159.459,6 6.858,7 0.386,8 4.442,9 4.563,10 3.932,11 3.996,12 5.459,13 3.955,14 5.014,15 5.192,16 4.272,17 4.404,18 5.992,19 4.328,20 5.346,21 5.589,22 4.37,23 4.537,24 6.29,25 4.437,26 5.333,27 5.578,28 4.296,29 4.492,30 6.287,31 4.386,32 5.301,33 5.543,34 4.227,35 4.47,36 6.352,37 4.345,38 5.309,39 5.567,40 4.033,41 4.451,42 6.138,43 4.287,44 5.301,45 5.584,46 3.897,47 4.388,48 6.049,49 4.197,50 5.21,51 5.497,52 3.816,53 4.282,54 6.018,55 4.089,56 0.064,57 1.093,58 17.71,59 7.857,60 10.136,61 10.492,62 0.18,63 1.821,64 32.781,65 13.501,66 28.058,67 18.663,68 0.542,69 2.325,70 48.573,71 17.529,72 68.923,73 25.035,74 0.589,75 2.298,76 48.338,77 16.665,78 70.525,79 23.901,80 0.764,81 2.211,82 46.688,83 16.575,84 118.256,85 23.819,86 0.437,87 2.187,88 46.951,89 17.449,90 64.964,91 24.89,92 0.421,93 2.115,94 47.032,95 17.494,96 60.686,97 25.311,98 0.527,99 1.908,100 43.17,101 15.989,102 78.423,103 23.24,104 10,105 59,106 0.217,107 0.53,108 0.672,109 0.793,110 0.849,111 0.876,112 3.716,113 1.009,114 -4.56,115 -4.49,116 -4.22,121 41.8,123 12,127 2,137 1,140 1,144 7,145 3,146 3,148 2,159 1,160 1,176 17,180 9,183 1,185 6,187 18,191 1,192 8,195 1,197 7,200 14,205 1,206 4,209 1,211 6,214 13,218 1,219 5,222 3,224 7,227 17,232 5,237 4,239 17,244 4,249 2,251 16,256 4,259 1,260 1,261 2,264 15,269 4,274 2,277 15,281 3404,282 27.587,283 27.587,284 27.587,285 27.587,286 27.587,287 25.132,288 26.485,289 16.962,290 27.855,291 21.802,292 21.802,293 21.802,294 21.802,295 21.802,296 17.84,297 27.849,298 8.174,299 22.245,300 4.878,301 2.829,302 1.894,303 1.102,304 0.734,305 0.557,306 4.427,312 1,313 1722,314 4.472,318 593.747,322 601.366,325 2.925,326 40.493,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 85.5,338 780,339 4.64,340 3.694,341 6.829,342 4.207,343 3.226,344 4.564,345 1.058,346 11.348,347 3.162,348 4.462,349 3.468,350 6.527,351 4.089,352 3.108,353 4.077,354 0.86,355 10.269,356 3.053,357 4.019,358 3.361,359 5.982,360 3.632,361 2.645,362 3.437,363 0.4,364 8.37,365 2.598,366 3.914,367 2.858,368 5.961,369 3.524,370 2.532,371 3.422,373 8.341,374 2.512,375 3.569,376 2.669,377 5.381,378 3.179,379 2.193,380 2.893,382 6.711,383 2.155,384 3.522,385 2.529,386 5.08,387 3.136,388 2.182,389 2.871,391 5.928,392 2.08,393 3.309,394 2.356,395 4.955,396 2.93,397 1.952,398 2.525,400 5.714,401 1.925,402 2.969,403 2.026,404 4.315,405 2.908,406 1.93,407 2.142,409 4.117,410 1.847,411 2.94,412 1.952,413 4.116,414 2.745,415 1.761,416 1.98,418 3.844,419 1.733,420 2.894,421 1.834,422 3.988,423 2.531,424 1.558,425 1.901,427 3.518,428 1.515,429 2.734,430 1.669,431 3.896,432 2.493,433 1.509,434 1.739,436 3.329,437 1.477,438 2.601,439 1.524,440 3.75,441 2.345,442 1.347,443 1.624,445 3.262,446 1.343,447 2.499,448 1.44,449 3.663,450 2.309,451 1.325,452 1.492,454 2.911,455 1.295,456 2.484,457 1.35,458 3.594,459 2.242,460 1.247,461 1.458,463 2.902,464 1.24,465 2.418,466 1.335,467 3.559,468 2.073,469 1.081,470 1.34,472 2.525,473 1.068,474 19.033,475 0.476,476 0.747,477 0.019,478 46.75,479 1.169,480 22,481 0.55,482 24.75,483 0.619,484 41.491,485 1.037,486 43.967,487 0.557,488 34.775,489 0.869,490 8.26,491 0.206,492 11.338,493 0.283,494 0.053,496 0.289,501 0.781,502 1.206,503 0.875,504 1.088,505 0.631,506 1.005,507 0.68,508 1.263,509 0.934,510 1.192,511 0.502,512 1.109,513 0.845,514 1.017,515 0.843,516 0.932,517 0.726,518 0.891,519 1.025,520 1.01,521 0.972,522 0.954,523 0.941,524 0.947,525 0.78,526 1.014,527 1.009,528 1.012,529 0.701,530 1.028,531 0.914,532 1.047,533 1.108,534 1.087,535 0.896,536 1.117,537 0.749,538 0.975,539 1.013,540 1.026,541 0.781,542 1.05,543 0.612,544 0.917,545 0.945,546 0.975,547 0.612,548 1.001,549 5.5,550 0.136,551 3.778,552 2.25,553 2.498,554 0.875,555 0.522,556 0.339,557 0.213,558 0.168,559 36754,560 85765,561 2.123,562 49.4,563 18,564 12,567 3,568 2,569 4,572 1.787,573 2.034,574 4.116,575 0.682,582 112.648,583 1.426,584 3.475,585 4.41,586 5.202,587 5.57,588 5.747,589 3.531,590 4.534,591 5.304,592 4.423,593 3449.56,594 9.275,595 71064.1,600 497.999,601 1.196,602 5.274,603 0.125,604 0.005,605 0.064,606 0.036,607 0.044,608 0.017,609 0.012,610 0.009,611 0.006,612 0.005,613 0.324,614 0.17,615 0.63,616 0.413,617 237.424,618 -0.043,619 -0.007,620 0.039,621 0.034,622 -0.014,623 0.046,624 0.054,625 -0.15,626 -0.001,627 -0.127,628 0.094,629 -0.08,630 0.096,631 -0.008,632 0.141,633 0.053,634 0.087,635 0.096,636 0.011,637 0.015,638 0.026,639 0.01,640 0.016,641 0.021,642 0.182,643 0.006,644 -0.022,645 -0.035,646 0.254,647 -0.049,648 -0.088,649 -0.067,650 -0.139,651 -0.098,652 -0.061,653 -0.12,654 -0.033,655 -0.036,656 -0.049,657 -0.045,658 -0.039,659 -0.048,660 0.107,661 0.01,662 0.022,663 0.002,664 0.105,665 0.001,666 2.055,667 5.392,668 0.6,669 51.9,670 0.994,671 1.124,672 3.335,673 11.122,674 0.652,675 3.807,676 4.094,677 4.369,678 4.644,679 4.92,680 4.963,681 5.069,682 5.124,683 5.153,684 4.97,685 11.762,686 0.613,687 541.75,688 3.807,689 5.333,690 6.176,691 7.043,692 7.91,693 8.789,694 9.668,695 10.554,696 11.44,697 12.33,698 3.8,703 1,705 1,708 1,714 2,715 7,716 1,720 6,722 17,727 1,734 1,738 1,739 1,741 79,743 20,744 2,745 44,747 83,748 33,749 15,750 5,751 7,752 4,756 5,757 9,767 4,770 12,772 19,773 14,777 3,782 2,784 1,786 3,793 39,794 7,795 3,796 7,802 3,808 0.4,809 4,822 1,829 5,833 3,843 1,849 2,859 2,868 40,875 1,876 14,877 2,878 1,893 5.1,895 1,896 2,898 1,901 19.667,902 13.817,903 8.944,904 5.49,907 3.671,908 1.429,909 0.976,910 9.857,911 12.22,912 4.034,913 4.585,914 5.169,915 5.743,916 6.332,917 6.601,918 6.952,919 7.248,920 7.516,921 7.325,922 1,923 63,924 14.932,926 6.397,927 0.026,929 7.671,931 29.149,933 24.484,936 2.171,937 86.833,941 423.76,942 147.362,943 52.807,945 103.973,948 147.362,949 527.733,950 52.807,952 52.637,953 75.81,954 142.851,955 32.845,957 423.76,959 423.76,960 200.17,961 103.973,964 376.675,965 151.057,968 57.537,969 93.116,970 49.516,972 423.76,973 156.78,974 147.362,977 423.76,978 71.553,979 75.81,980 36.022,981 120.759,982 423.76,983 156.78,984 147.362,986 0.566,987 0.329,988 0.184,989 0.108,990 26,991 11,992 0.157,993 13,994 3,995 1.25,996 5.327,997 366.445,998 0.25,999 24,1000 212.877,1005 28.326,1006 13.919,1007 7.313,1008 2.356,1009 156.78,1010 12.77,1011 4.936,1015 4.57,1017 78.705,1018 727.902,1019 55.5,1024 24.615,1026 1.18,1028 -0.738,1031 78.519,1032 88.806,1034 0.226,1035 0.551,1036 0.7,1037 0.825,1038 0.884,1039 0.912,1040 5.264,1041 1.93,1042 6.129,1043 5.714,1044 4.779,1045 5.273,1046 1.617,1047 6.919,1048 4.739,1049 6.438,1050 1.761,1051 7.666,1052 4.117,1053 4.205,1054 5.066,1056 7.789,1057 4.148,1058 7.734,1059 1.558,1060 9.313,1061 3.844,1062 6.333,1063 7.457,1064 1.538,1065 10.943,1066 6.253,1067 9.071,1068 1.509,1069 11.029,1070 3.518,1071 6.648,1072 8.144,1074 12.708,1075 6.553,1076 10.448,1077 1.347,1078 12.79,1079 3.329,1080 8.193,1081 9.997,1082 1.532,1083 15.365,1084 8.078,1085 11.854,1086 1.325,1087 14.584,1088 3.262,1089 8.949,1090 11.101,1092 17.493,1093 8.817,1094 13.281,1095 1.247,1096 16.4,1097 2.911,1098 10.251,1099 12.74,1100 1.557,1101 19.982,1102 10.1,1103 3.226,1104 1.081,1105 18.233,1106 2.902,1107 11.222,1108 14.046,1110 22.264,1111 11.052,1112 3.108,1113 11.348,1114 20.078,1115 2.525,1116 12.425,1117 15.598,1118 1.603,1119 24.696,1120 12.237,1121 2.645,1122 10.269,1123 21.934,1124 4.564,1125 13.495,1126 17.003,1128 27.047,1129 13.287,1130 2.532,1131 8.37,1132 23.797,1133 4.077,1134 14.663,1135 18.521,1136 1.663,1137 29.461,1138 14.435,1139 2.193,1140 8.341,1141 25.666,1142 3.437,1143 15.778,1144 19.975,1146 31.843,1147 15.531,1148 2.182,1149 6.711,1150 27.541,1151 3.422,1152 16.934,1153 21.481,1154 1.734,1155 34.253,1156 16.667,1157 1.952,1158 5.928,1159 29.42,1160 2.893,1161 18.07,1162 22.96,1164 36.651,1165 17.783,1166 33816,1167 52134,1168 30.107,1169 51.54,1170 64.581,1171 66.784,1172 65.496,1173 64.089,1174 64.074,1175 80.449,1176 4.637,1177 177.265,1178 62.795,1179 5.621,1180 5.694,1181 6.774,1182 5.303,1183 5.226,1184 7.564,1185 2.117,1186 18.879,1187 5.162,1188 15.97,1189 1.468,1190 1.518,1191 1.489,1192 1.457,1193 1.456,1194 1.828,1195 0.105,1196 4.029,1197 1.427,1198 4.117,1199 4.148,1200 4.076,1201 4.043,1202 7.435,1203 4.047,1204 3.991,1205 3.997,1206 3.959,1207 3.895,1208 7.423,1209 3.908,1210 3.809,1211 3.871,1212 3.66,1213 3.689,1214 6.471,1215 3.671,1216 3.732,1217 3.781,1218 3.617,1219 3.649,1220 4.973,1221 3.635,1222 3.692,1223 3.756,1224 3.582,1225 3.539,1226 4.8,1227 3.536,1228 3.588,1229 3.633,1230 3.464,1231 3.444,1232 4.413,1233 3.45,1234 3.453,1235 3.513,1236 3.308,1237 3.291,1238 4.28,1239 3.282,1240 3.304,1241 3.368,1242 3.183,1243 3.153,1244 4.252,1245 3.146,1246 0.105,1247 0.084,1248 0.155,1249 0.096,1250 0.073,1251 4.64,1252 0.104,1253 3.694,1254 0.024,1255 6.829,1256 0.258,1257 4.207,1258 0.072,1259 3.226,1260 4.564,1261 1.058,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.44,1269 2.163,1270 1.928,1271 1.921,1272 2.062,1273 2.044,1274 1.421,1275 2.028,1276 1.815,1277 1.754,1278 1.997,1279 1.972,1280 1.286,1281 2.003,1282 1.754,1283 1.709,1284 1.951,1285 1.876,1286 1.15,1287 1.904,1288 1.688,1289 1.624,1290 1.94,1291 1.871,1292 1.095,1293 1.896,1294 1.546,1295 1.512,1296 1.773,1297 1.747,1298 1.065,1299 1.754,1300 1.445,1301 1.384,1302 1.623,1303 1.631,1304 0.825,1305 1.636,1306 1.29,1307 1.229,1308 1.537,1309 1.497,1310 0.753,1311 1.513,1312 4.489,1314 5.784,1316 7.284,1318 8.895,1320 10.571,1327 9.539,1328 15.45,1329 6.606,1330 5.548,1340 48.406,1341 112.648,1342 274.522,1343 348.399,1344 410.979,1345 439.999,1346 453.999,1347 87.721,1348 8.548,1349 104.46,1350 104.46,1351 30,1352 12.86,1353 4.392,1354 3.644,1355 64.96,1356 298,1357 232,1358 0.102,1359 294.517,1360 524.08,1361 710.382,1362 97908,1364 27.736,1365 0.693,1366 0.578,1367 27.736,1368 23.137,1369 19.597,1370 0.445,1371 0.336,1372 14.668,1373 19.076,1374 14.427,1375 11.966,1376 19.597,1377 14.794,1378 16.957,1379 0.287,1380 0.183,1381 16.957,1382 10.803,1383 14.214,1384 0.182,1385 0.1,1386 14.214,1387 7.795,1388 11.895,1389 0.115,1390 0.055,1391 11.895,1392 5.644,1393 10.264,1394 0.075,1395 0.03,1396 10.264,1397 4.136,1398 0.174,1399 121.449,1400 0.182,1401 37.737,1402 0.245,1403 206,1404 545.667,1405 222.124,1406 527.104,1407 724.03,1408 494,1409 240,1410 535.773,1411 256.46,1412 539.104,1413 793.96,1414 512,1415 8.097}
{0 CHEMBL2019044,1 1.511,2 20.098,3 7.767,4 60.322,5 164.264,6 7.294,7 0.378,8 4.446,9 4.562,10 3.986,11 4.012,12 5.474,13 3.971,14 5.018,15 5.192,16 4.349,17 4.425,18 6.018,19 4.35,20 5.352,21 5.588,22 4.446,23 4.562,24 6.319,25 4.461,26 5.338,27 5.577,28 4.38,29 4.511,30 6.317,31 4.407,32 5.304,33 5.542,34 4.307,35 4.489,36 6.367,37 4.366,38 5.314,39 5.566,40 4.182,41 4.477,42 6.17,43 4.318,44 5.311,45 5.582,46 4.071,47 4.431,48 6.096,49 4.243,50 5.223,51 5.495,52 3.963,53 4.332,54 6.08,55 4.138,56 0.046,57 1.082,58 16.907,59 7.775,60 9.588,61 10.214,62 0.152,63 1.805,64 32.545,65 13.596,66 28.593,67 18.444,68 0.557,69 2.306,70 51.648,71 18.112,72 73.094,73 25.169,74 0.63,75 2.283,76 50.74,77 17.091,78 76.083,79 23.939,80 0.754,81 2.203,82 47.761,83 16.959,84 119.19,85 23.85,86 0.476,87 2.17,88 49.549,89 17.89,90 70.02,91 25.008,92 0.469,93 2.088,94 52.924,95 18.366,96 68.266,97 25.734,98 0.608,99 1.873,100 51.297,101 17.001,102 89.064,103 23.772,104 17,105 61,106 0.23,107 0.546,108 0.684,109 0.797,110 0.849,111 0.876,112 3.74,113 1.018,114 -4.75,115 -4.66,116 -4.38,121 41.8,123 12,127 2,137 1,140 1,144 6,145 3,146 4,148 2,159 1,160 1,176 15,180 9,183 1,185 6,187 19,191 1,192 7,195 1,197 7,200 14,205 1,206 5,209 1,211 6,214 14,218 1,219 5,222 3,224 6,227 15,232 5,237 5,239 17,244 4,249 2,251 16,256 4,259 1,260 1,261 2,264 16,269 4,274 2,277 15,281 3655,282 28.034,283 28.034,284 28.034,285 28.034,286 28.034,287 25.555,288 28.087,289 17.099,290 28.439,291 22.285,292 22.285,293 22.285,294 22.285,295 22.285,296 18.253,297 28.49,298 8.253,299 22.995,300 4.793,301 2.721,302 1.816,303 1.076,304 0.734,305 0.557,306 4.449,308 1,312 1,313 1812,314 4.528,318 609.207,322 616.297,325 2.866,326 43.879,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 87.833,338 824,339 4.651,340 3.694,341 6.833,342 4.214,343 3.235,344 4.582,345 1.058,346 11.364,347 3.165,348 4.462,349 3.468,350 6.527,351 4.089,352 3.108,353 4.077,354 0.86,355 10.269,356 3.053,357 4.019,358 3.373,359 6.004,360 3.632,361 2.645,362 3.534,363 0.4,364 8.477,365 2.598,366 3.99,367 2.943,368 5.961,369 3.58,370 2.61,371 3.422,373 8.341,374 2.532,375 3.584,376 2.858,377 5.427,378 3.193,379 2.252,380 2.961,382 6.886,383 2.155,384 3.569,385 2.562,386 5.08,387 3.179,388 2.193,389 2.871,391 5.928,392 2.104,393 3.365,394 2.529,395 4.955,396 2.936,397 1.988,398 2.699,400 5.714,401 1.926,402 3.309,403 2.272,404 4.899,405 2.909,406 1.951,407 2.525,409 5.573,410 1.847,411 2.968,412 2.026,413 4.315,414 2.878,415 1.926,416 1.98,418 4.117,419 1.737,420 2.897,421 1.952,422 4.121,423 2.744,424 1.761,425 1.904,427 3.845,428 1.701,429 2.749,430 1.833,431 3.986,432 2.517,433 1.551,434 1.771,436 3.516,437 1.492,438 2.645,439 1.653,440 3.892,441 2.428,442 1.44,443 1.666,445 3.375,446 1.416,447 2.499,448 1.465,449 3.743,450 2.311,451 1.326,452 1.492,454 3.146,455 1.297,456 2.486,457 1.433,458 3.652,459 2.249,460 1.256,461 1.459,463 2.911,464 1.246,465 2.418,466 1.335,467 3.577,468 2.083,469 1.092,470 1.34,472 2.55,473 1.077,474 19.748,475 0.482,476 0.853,477 0.021,478 47.5,479 1.159,480 22,481 0.537,482 25.5,483 0.622,484 44.121,485 1.076,486 45.052,487 0.57,488 35.582,489 0.868,490 8.332,491 0.203,492 11.659,493 0.284,494 0.087,496 0.304,501 0.749,502 1.204,503 0.739,504 1.028,505 0.62,506 0.969,507 0.663,508 1.26,509 0.791,510 1.126,511 0.489,512 1.07,513 0.851,514 1.017,515 0.828,516 0.92,517 0.737,518 0.888,519 0.959,520 1.016,521 0.86,522 0.938,523 0.911,524 0.938,525 0.74,526 1.012,527 0.833,528 0.959,529 0.684,530 0.997,531 0.849,532 1.048,533 0.925,534 1.04,535 0.866,536 1.083,537 0.813,538 0.971,539 1.051,540 1.021,541 0.819,542 1.048,543 0.775,544 0.919,545 1.21,546 1.046,547 0.712,548 1.054,549 6.5,550 0.153,551 4,552 2.438,553 2.689,554 1.014,555 0.685,556 0.417,557 0.258,558 0.188,559 38831,560 99792,561 2.105,562 48.1,563 18,564 11,567 3,568 2,569 4,572 1.793,573 2,574 4.158,575 0.692,582 119.358,583 1.511,584 3.582,585 4.488,586 5.228,587 5.57,588 5.747,589 3.514,590 5.016,591 5.339,592 4.446,593 3645.5,594 9.348,595 76295.4,600 497.999,601 1.282,602 5.302,603 0.144,604 0.005,605 0.066,606 0.038,607 0.046,608 0.019,609 0.015,610 0.011,611 0.007,612 0.006,613 0.356,614 0.17,615 0.63,616 0.458,617 244.927,618 -0.047,619 -0.006,620 0.024,621 0.034,622 -0.016,623 0.045,624 0.047,625 -0.147,626 0.023,627 -0.102,628 0.102,629 -0.064,630 0.069,631 -0.007,632 0.101,633 0.056,634 0.074,635 0.096,636 0.027,637 0.013,638 0.041,639 0.011,640 0.024,641 0.026,642 0.165,643 0.012,644 0.021,645 -0.003,646 0.241,647 -0.024,648 -0.043,649 -0.066,650 -0.037,651 -0.063,652 -0.041,653 -0.088,654 -0.045,655 -0.032,656 -0.034,657 -0.028,658 -0.05,659 -0.038,660 0.046,661 0.005,662 -0.076,663 -0.039,664 0.063,665 -0.039,666 2.06,667 5.4,668 0.585,669 53.655,670 0.998,671 1.123,672 3.518,673 12.377,674 0.663,675 3.829,676 4.127,677 4.394,678 4.673,679 4.956,680 5.024,681 5.13,682 5.204,683 5.231,684 5.063,685 11.915,686 0.623,687 576.19,688 3.829,689 5.361,690 6.205,691 7.076,692 7.943,693 8.826,694 9.706,695 10.596,696 11.483,697 12.377,698 3.8,703 1,705 1,708 1,714 2,715 6,716 1,720 7,722 17,727 1,734 1,738 1,739 1,740 1,741 79,743 20,744 2,745 45,747 83,748 33,749 15,750 6,751 6,752 4,756 5,757 9,758 1,767 4,770 12,772 19,773 14,777 3,782 2,784 1,786 3,793 38,794 7,795 3,796 8,797 1,802 3,808 0.4,809 4,822 1,829 5,833 3,843 1,849 2,859 2,865 1,868 41,875 1,876 14,877 2,878 1,892 1,893 5.1,895 1,896 2,898 1,901 20.5,902 13.876,903 9.111,904 5.47,907 3.677,908 1.426,909 0.975,910 10.318,911 12.299,912 4.052,913 4.615,914 5.194,915 5.775,916 6.376,917 6.68,918 7.029,919 7.351,920 7.608,921 7.45,922 0.923,923 65,924 15.291,926 6.568,927 0.026,929 7.71,931 29.71,933 24.961,936 2.21,937 90.611,941 411.989,942 141.387,943 52.807,944 39.149,945 103.973,948 141.387,949 555.11,950 52.807,952 52.637,953 66.334,954 142.851,955 36.346,957 411.989,958 39.149,959 411.989,960 194.194,961 103.973,962 39.149,964 364.904,965 151.057,968 57.537,969 87.141,970 88.665,972 411.989,973 156.78,974 180.536,977 411.989,978 75.053,979 66.334,980 36.022,981 159.907,982 411.989,983 156.78,984 180.536,986 0.57,987 0.328,988 0.182,989 0.108,990 27,991 12,992 0.157,993 13,994 3,995 1.25,996 5.371,997 380.266,998 0.25,999 24,1000 219.66,1005 29.566,1006 14.308,1007 7.679,1008 2.164,1009 156.78,1010 10.288,1011 4.912,1015 5.14,1017 78.705,1018 749.304,1019 56.5,1024 24.63,1026 1.176,1028 -0.753,1031 78.843,1032 88.75,1034 0.24,1035 0.568,1036 0.712,1037 0.829,1038 0.884,1039 0.912,1040 5.29,1041 1.951,1042 6.168,1043 5.714,1044 4.812,1045 5.303,1046 1.617,1047 6.961,1048 4.753,1049 6.473,1050 1.926,1051 7.709,1052 5.573,1053 4.29,1054 5.147,1056 7.832,1057 4.185,1058 7.775,1059 1.761,1060 9.357,1061 4.117,1062 6.375,1063 7.497,1064 1.538,1065 10.978,1066 6.268,1067 9.116,1068 1.551,1069 11.072,1070 3.845,1071 6.711,1072 8.205,1074 12.731,1075 6.574,1076 10.495,1077 1.44,1078 12.83,1079 3.516,1080 8.235,1081 10.039,1082 1.532,1083 15.389,1084 8.09,1085 11.901,1086 1.326,1087 14.62,1088 3.375,1089 8.997,1090 11.151,1092 17.509,1093 8.832,1094 13.328,1095 1.256,1096 16.432,1097 3.146,1098 10.29,1099 12.782,1100 1.557,1101 20,1102 10.111,1103 3.235,1104 1.092,1105 18.26,1106 2.911,1107 11.261,1108 14.093,1110 22.279,1111 11.064,1112 3.108,1113 11.364,1114 20.102,1115 2.55,1116 12.461,1117 15.642,1118 1.603,1119 24.712,1120 12.247,1121 2.645,1122 10.269,1123 21.955,1124 4.582,1125 13.531,1126 17.05,1128 27.062,1129 13.298,1130 2.61,1131 8.477,1132 23.815,1133 4.077,1134 14.697,1135 18.568,1136 1.663,1137 29.477,1138 14.446,1139 2.252,1140 8.341,1141 25.683,1142 3.534,1143 15.812,1144 20.026,1146 31.86,1147 15.541,1148 2.193,1149 6.886,1150 27.556,1151 3.422,1152 16.968,1153 21.534,1154 1.734,1155 34.271,1156 16.678,1157 1.988,1158 5.928,1159 29.434,1160 2.961,1161 18.105,1162 23.017,1164 36.67,1165 17.795,1166 35866,1167 57898,1168 30.512,1169 52.398,1170 66.195,1171 68.659,1172 67.362,1173 65.919,1174 65.684,1175 82.23,1176 4.637,1177 183.466,1178 63.581,1179 5.631,1180 5.694,1181 6.778,1182 5.31,1183 5.235,1184 7.582,1185 2.117,1186 18.902,1187 5.165,1188 18.84,1189 1.471,1190 1.526,1191 1.497,1192 1.465,1193 1.46,1194 1.827,1195 0.103,1196 4.077,1197 1.413,1198 4.119,1199 4.147,1200 4.128,1201 4.049,1202 7.435,1203 4.052,1204 3.991,1205 3.997,1206 3.961,1207 3.896,1208 7.423,1209 3.908,1210 3.809,1211 3.871,1212 3.778,1213 3.69,1214 6.471,1215 3.672,1216 3.736,1217 3.78,1218 3.657,1219 3.659,1220 5.038,1221 3.643,1222 3.692,1223 3.756,1224 3.582,1225 3.539,1226 4.8,1227 3.536,1228 3.588,1229 3.633,1230 3.471,1231 3.444,1232 4.685,1233 3.45,1234 3.454,1235 3.513,1236 3.396,1237 3.294,1238 4.28,1239 3.285,1240 3.308,1241 3.368,1242 3.282,1243 3.171,1244 4.252,1245 3.16,1246 0.103,1247 0.082,1248 0.152,1249 0.094,1250 0.072,1251 4.651,1252 0.102,1253 3.694,1254 0.024,1255 6.833,1256 0.253,1257 4.214,1258 0.07,1259 3.235,1260 4.582,1261 1.058,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.149,1267 2.158,1268 1.44,1269 2.159,1270 1.928,1271 1.921,1272 2.061,1273 2.044,1274 1.421,1275 2.028,1276 1.815,1277 1.754,1278 1.997,1279 1.972,1280 1.286,1281 2.003,1282 1.75,1283 1.709,1284 1.945,1285 1.876,1286 1.15,1287 1.902,1288 1.688,1289 1.624,1290 1.922,1291 1.861,1292 1.095,1293 1.888,1294 1.546,1295 1.512,1296 1.771,1297 1.746,1298 1.065,1299 1.753,1300 1.444,1301 1.384,1302 1.621,1303 1.63,1304 0.824,1305 1.635,1306 1.285,1307 1.229,1308 1.531,1309 1.492,1310 0.752,1311 1.508,1312 4.511,1314 5.814,1316 7.318,1318 8.93,1320 10.609,1323 6.241,1327 9.543,1328 15.144,1329 6.579,1330 5.547,1340 49.233,1341 119.358,1342 283.012,1343 354.541,1344 412.979,1345 439.999,1346 453.999,1347 93.684,1348 8.622,1349 104.46,1350 104.46,1351 30,1352 12.905,1353 4.392,1354 3.644,1355 67.447,1356 309,1357 246,1358 0.102,1359 302.85,1360 539.29,1361 730.714,1362 106313,1363 1.3,1364 28.606,1365 0.698,1366 0.59,1367 29.106,1368 24.194,1369 19.991,1370 0.444,1371 0.339,1372 14.798,1373 19.161,1374 14.521,1375 12.016,1376 20.28,1377 15.272,1378 17.591,1379 0.288,1380 0.187,1381 17.999,1382 11.384,1383 14.55,1384 0.182,1385 0.101,1386 14.812,1387 8.085,1388 12.159,1389 0.115,1390 0.055,1391 12.394,1392 5.836,1393 10.48,1394 0.074,1395 0.03,1396 10.712,1397 4.299,1398 0.174,1399 126.988,1400 0.181,1401 38.443,1402 0.246,1403 212,1404 579.871,1405 243.644,1406 589.262,1407 795.4,1408 550,1409 247,1410 562.636,1411 273.218,1412 575.753,1413 847.54,1414 546,1415 9}
{0 CHEMBL2019046,1 1.447,2 19.667,3 7.086,4 50.21,5 165.922,6 6.889,7 0.37,8 4.494,9 4.612,10 3.986,11 4.026,12 5.524,13 3.992,14 5.067,15 5.245,16 4.324,17 4.429,18 6.048,19 4.363,20 5.376,21 5.609,22 4.444,23 4.573,24 6.33,25 4.486,26 5.39,27 5.62,28 4.431,29 4.551,30 6.471,31 4.459,32 5.387,33 5.627,34 4.283,35 4.531,36 6.375,37 4.413,38 5.374,39 5.625,40 4.147,41 4.504,42 6.238,43 4.354,44 5.362,45 5.633,46 4.064,47 4.45,48 6.262,49 4.276,50 5.287,51 5.565,52 3.883,53 4.341,54 6.09,55 4.162,56 0.054,57 1.144,58 18.664,59 8.259,60 11.28,61 10.921,62 0.225,63 1.884,64 34.905,65 13.983,66 32.004,67 19.168,68 0.554,69 2.379,70 50.017,71 17.866,72 64.526,73 25.384,74 0.949,75 2.404,76 51.251,77 17.504,78 113.002,79 25.12,80 0.68,81 2.354,82 51.141,83 17.766,84 103.113,85 25.279,86 0.597,87 2.289,88 50.43,89 18.273,90 74.863,91 25.984,92 0.723,93 2.217,94 50.26,95 18.349,96 99.46,97 26.55,98 0.513,99 2.026,100 46.973,101 16.628,102 75.666,103 23.997,104 18,105 62,106 0.219,107 0.532,108 0.689,109 0.796,110 0.849,111 0.874,112 3.764,113 0.999,114 -4.51,115 -4.44,116 -4.18,121 41,123 12,126 1,127 2,137 1,140 1,144 6,145 3,146 4,148 2,159 1,160 1,176 15,180 11,183 1,185 6,187 19,191 1,192 5,195 1,197 5,200 11,205 2,206 7,209 4,211 8,214 14,218 1,219 4,222 1,224 6,227 16,231 1,232 4,237 2,239 17,243 1,244 5,247 2,248 1,249 3,251 16,256 4,261 2,264 13,269 5,274 3,277 14,281 3844,282 28.957,283 28.957,284 28.957,285 28.957,286 28.957,287 26.502,288 30.799,289 17.685,290 29.396,291 22.72,292 22.72,293 22.72,294 22.72,295 22.72,296 18.661,297 36.685,298 8.415,299 23.334,300 4.928,301 2.852,302 1.81,303 1.106,304 0.756,305 0.587,306 4.472,312 1,313 1812,314 4.637,318 629.164,322 638.448,325 2.921,326 45.421,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 90.5,338 826,339 4.64,340 3.713,341 6.829,342 4.207,343 3.226,344 4.564,345 1.058,346 11.348,347 3.162,348 4.552,349 3.496,350 6.759,351 4.174,352 3.196,353 4.22,354 0.86,355 11.006,356 3.127,357 4.071,358 3.361,359 6.009,360 3.681,361 2.703,362 3.468,363 0.86,364 8.519,365 2.632,366 3.914,367 3,368 5.982,369 3.524,370 2.532,371 3.437,372 0.4,373 8.37,374 2.512,375 3.684,376 2.669,377 5.39,378 3.316,379 2.347,380 3.004,382 6.956,383 2.269,384 3.522,385 2.62,386 5.381,387 3.136,388 2.182,389 2.893,391 6.711,392 2.08,393 3.286,394 2.432,395 5.069,396 2.938,397 1.975,398 2.526,400 5.82,401 1.927,402 3.169,403 2.356,404 4.753,405 2.886,406 1.92,407 2.292,409 4.89,410 1.814,411 2.948,412 1.959,413 4.201,414 2.769,415 1.788,416 2.142,418 3.938,419 1.74,420 2.933,421 1.897,422 4.116,423 2.712,424 1.722,425 1.944,427 3.761,428 1.691,429 2.818,430 1.83,431 3.987,432 2.521,433 1.539,434 1.811,436 3.469,437 1.511,438 2.703,439 1.669,440 3.888,441 2.463,442 1.486,443 1.684,445 3.329,446 1.447,447 2.595,448 1.524,449 3.712,450 2.345,451 1.347,452 1.601,454 3.234,455 1.343,456 2.491,457 1.44,458 3.594,459 2.242,460 1.272,461 1.488,463 2.902,464 1.24,465 2.43,466 1.35,467 3.572,468 2.238,469 1.247,470 1.4,472 2.852,473 1.218,474 19.867,475 0.473,476 0.798,477 0.019,478 48.75,479 1.161,480 22.5,481 0.536,482 26.25,483 0.625,484 44.666,485 1.063,486 46.733,487 0.563,488 38.071,489 0.906,490 8.76,491 0.209,492 11.786,493 0.281,494 0.076,496 0.302,501 0.801,502 1.251,503 0.868,504 1.133,505 0.641,506 1.025,507 0.805,508 1.219,509 0.922,510 1.142,511 0.543,512 1.062,513 0.852,514 1.031,515 0.83,516 0.941,517 0.754,518 0.887,519 0.753,520 1.052,521 0.92,522 1.003,523 0.793,524 0.979,525 1.011,526 1.015,527 1.056,528 1.011,529 0.955,530 1.029,531 0.897,532 1.034,533 1.08,534 1.07,535 0.883,536 1.096,537 0.591,538 0.996,539 0.967,540 1.048,541 0.676,542 1.064,543 0.906,544 0.953,545 1.044,546 0.993,547 1.07,548 1.033,549 6,550 0.153,551 3.778,552 3.063,553 2.609,554 1.111,555 0.708,556 0.398,557 0.238,558 0.188,559 41108,560 97635,561 2.102,562 49.4,563 18,564 14,567 3,568 2,569 4,572 1.799,573 2,574 4.127,575 0.677,582 120.13,583 1.447,584 3.523,585 4.565,586 5.269,587 5.619,588 5.788,589 3.484,590 4.69,591 5.375,592 4.445,593 3827.16,594 9.419,595 81791,600 529.128,601 1.268,602 5.338,603 0.13,604 0.005,605 0.061,606 0.045,607 0.041,608 0.02,609 0.015,610 0.009,611 0.007,612 0.006,613 0.339,614 0.17,615 0.63,616 0.58,617 252.524,618 -0.04,619 -0.035,620 0.043,621 0.008,622 -0.012,623 0.034,624 0.014,625 -0.104,626 0.019,627 -0.073,628 0.081,629 -0.034,630 0.075,631 -0.008,632 0.15,633 0.055,634 0.072,635 0.105,636 0.266,637 -0.014,638 0.074,639 -0.027,640 0.221,641 -0.005,642 -0.02,644 -0.066,645 -0.033,646 0.062,647 -0.051,648 -0.027,649 -0.052,650 -0.107,651 -0.079,652 -0.03,653 -0.1,654 0.165,655 -0.047,656 -0.003,657 -0.063,658 0.149,659 -0.06,660 -0.073,661 -0.016,662 -0.066,663 -0.024,664 -0.087,665 -0.041,666 2.137,667 5.52,668 0.571,669 56.095,670 0.997,671 1.126,672 3.281,673 10.764,674 0.648,675 3.85,676 4.143,677 4.431,678 4.718,679 4.97,680 5.069,681 5.165,682 5.198,683 5.247,684 5.094,685 12.067,686 0.61,687 571.78,688 3.85,689 5.38,690 6.229,691 7.102,692 7.973,693 8.861,694 9.743,695 10.639,696 11.527,697 12.427,698 3.6,703 1,705 1,708 1,714 2,715 6,716 1,720 7,722 17,727 1,734 1,738 1,739 2,741 83,743 20,744 2,745 46,747 87,748 34,749 15,750 6,751 6,752 4,756 5,757 9,767 4,770 12,772 19,773 15,777 3,782 2,784 1,786 3,793 41,794 8,795 3,796 8,802 3,808 0.4,809 5,822 1,829 5,833 3,843 1,849 2,859 2,864 1,868 42,875 1,876 14,877 2,878 2,893 6,895 1,896 2,898 2,901 21,902 14.9,903 9.472,904 5.65,907 3.717,908 1.428,909 0.967,910 10.629,911 12.403,912 4.069,913 4.625,914 5.219,915 5.806,916 6.371,917 6.696,918 7.02,919 7.305,920 7.579,921 7.43,922 1,923 68,924 15.688,926 6.71,927 0.026,929 7.69,931 30.458,933 25.376,936 2.19,937 92,941 447.302,942 154.013,943 52.807,945 114.973,948 154.013,949 562.275,950 52.807,951 10.883,952 52.637,953 66.334,954 142.851,955 49.088,957 447.302,959 447.302,960 206.82,961 114.973,964 400.217,965 162.057,968 57.537,969 99.766,970 49.516,972 447.302,973 167.78,974 154.013,977 447.302,978 76.796,979 77.217,980 36.022,981 131.759,982 447.302,983 167.78,984 154.013,986 0.566,987 0.334,988 0.19,989 0.107,990 27,991 12,992 0.161,993 14,994 3,995 1.25,996 5.423,997 393.793,998 0.25,999 24,1000 226.477,1005 30.219,1006 14.773,1007 7.593,1008 2.347,1009 167.78,1010 11.316,1011 4.937,1015 4.274,1017 78.705,1018 769.095,1019 57.5,1024 24.922,1026 1.118,1028 -0.987,1031 82.73,1032 93.431,1034 0.227,1035 0.553,1036 0.716,1037 0.827,1038 0.881,1039 0.908,1040 5.305,1041 1.92,1042 6.188,1043 5.82,1044 4.828,1045 5.313,1046 1.875,1047 6.995,1048 4.777,1049 6.484,1050 1.788,1051 7.737,1052 4.89,1053 4.29,1054 5.147,1056 7.904,1057 4.221,1058 7.786,1059 1.722,1060 9.395,1061 3.938,1062 6.399,1063 7.51,1064 1.749,1065 11.062,1066 6.302,1067 9.13,1068 1.539,1069 11.121,1070 3.761,1071 6.746,1072 8.23,1074 12.857,1075 6.632,1076 10.514,1077 1.486,1078 12.893,1079 3.469,1080 8.278,1081 10.065,1082 1.693,1083 15.524,1084 8.142,1085 11.926,1086 1.347,1087 14.696,1088 3.329,1089 9.061,1090 11.193,1092 17.679,1093 8.906,1094 13.361,1095 1.272,1096 16.522,1097 3.234,1098 10.358,1099 12.823,1100 1.676,1101 20.18,1102 10.183,1103 3.226,1104 1.247,1105 18.365,1106 2.902,1107 11.349,1108 14.144,1110 22.484,1111 11.154,1112 3.196,1113 11.348,1114 20.22,1115 2.852,1116 12.554,1117 15.691,1118 1.688,1119 24.928,1120 12.34,1121 2.703,1122 11.006,1123 22.085,1124 4.564,1125 13.639,1126 17.104,1128 27.295,1129 13.405,1130 2.532,1131 8.519,1132 23.958,1133 4.22,1134 14.812,1135 18.62,1136 1.723,1137 29.719,1138 14.558,1139 2.347,1140 8.37,1141 25.838,1142 3.468,1143 15.939,1144 20.077,1146 32.113,1147 15.664,1148 2.182,1149 6.956,1150 27.724,1151 3.437,1152 17.102,1153 21.582,1154 1.776,1155 34.532,1156 16.807,1157 1.975,1158 6.711,1159 29.613,1160 3.004,1161 18.249,1162 23.062,1164 36.938,1165 17.932,1166 38059,1167 59189,1168 31.205,1169 53.756,1170 67.076,1171 69.903,1172 69.154,1173 66.847,1174 66.856,1175 83.403,1176 6.357,1177 186.696,1178 65.085,1179 5.621,1180 5.713,1181 6.774,1182 5.306,1183 5.226,1184 7.564,1185 2.117,1186 18.879,1187 5.162,1188 18.939,1189 1.458,1190 1.52,1191 1.503,1192 1.453,1193 1.453,1194 1.813,1195 0.138,1196 4.059,1197 1.415,1198 4.118,1199 4.148,1200 4.077,1201 4.043,1202 7.435,1203 4.048,1204 3.999,1205 4,1206 3.973,1207 3.896,1208 7.423,1209 3.913,1210 3.809,1211 3.871,1212 3.663,1213 3.689,1214 6.468,1215 3.671,1216 3.732,1217 3.781,1218 3.618,1219 3.649,1220 4.974,1221 3.635,1222 3.695,1223 3.757,1224 3.59,1225 3.539,1226 4.861,1227 3.538,1228 3.597,1229 3.638,1230 3.47,1231 3.448,1232 4.587,1233 3.455,1234 3.462,1235 3.522,1236 3.32,1237 3.293,1238 4.413,1239 3.285,1240 3.323,1241 3.384,1242 3.204,1243 3.155,1244 4.274,1245 3.15,1246 0.101,1247 0.081,1248 0.148,1249 0.091,1250 0.07,1251 4.64,1252 0.099,1253 3.713,1254 0.023,1255 6.829,1256 0.247,1257 4.207,1258 0.069,1259 3.226,1260 4.564,1261 1.058,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.44,1269 2.163,1270 1.923,1271 1.921,1272 2.061,1273 2.047,1274 1.421,1275 2.025,1276 1.815,1277 1.754,1278 1.978,1279 1.972,1280 1.286,1281 2.002,1282 1.754,1283 1.709,1284 1.951,1285 1.877,1286 1.15,1287 1.904,1288 1.688,1289 1.625,1290 1.939,1291 1.871,1292 1.095,1293 1.896,1294 1.549,1295 1.518,1296 1.773,1297 1.753,1298 1.065,1299 1.756,1300 1.448,1301 1.387,1302 1.639,1303 1.649,1304 0.825,1305 1.653,1306 1.293,1307 1.232,1308 1.566,1309 1.53,1310 0.753,1311 1.541,1312 4.533,1314 5.832,1316 7.339,1318 8.958,1320 10.645,1322 1.449,1327 10.075,1328 15.264,1329 6.593,1330 10.694,1340 50.647,1341 120.13,1342 292.413,1343 378.915,1344 437.354,1345 466.373,1346 480.373,1347 98.564,1348 8.686,1349 113.69,1350 113.69,1351 30,1352 12.952,1353 4.392,1354 3.644,1355 69.986,1356 322,1357 226,1358 0.102,1359 308.106,1360 550.17,1361 743.538,1362 115772,1364 29.313,1365 0.698,1366 0.583,1367 29.313,1368 24.468,1369 20.546,1370 0.447,1371 0.333,1372 15.155,1373 19.872,1374 14.871,1375 12.352,1376 20.546,1377 15.323,1378 17.676,1379 0.285,1380 0.18,1381 17.676,1382 11.142,1383 14.95,1384 0.18,1385 0.098,1386 14.95,1387 8.103,1388 12.842,1389 0.116,1390 0.053,1391 12.842,1392 5.861,1393 10.476,1394 0.073,1395 0.03,1396 10.476,1397 4.228,1398 0.174,1399 128.257,1400 0.179,1401 39.141,1402 0.246,1403 216,1404 601.403,1405 235.003,1406 573.349,1407 785,1408 538,1409 253,1410 577.318,1411 272.45,1412 580.651,1413 855.29,1414 549,1415 9}
{0 CHEMBL2019047,1 1.46,2 19.049,3 6.835,4 46.716,5 161.153,6 6.972,7 0.378,8 4.461,9 4.578,10 3.958,11 4,12 5.512,13 3.967,14 5.025,15 5.199,16 4.307,17 4.41,18 6.036,19 4.343,20 5.362,21 5.598,22 4.42,23 4.548,24 6.337,25 4.46,26 5.363,27 5.597,28 4.401,29 4.508,30 6.487,31 4.418,32 5.334,33 5.57,34 4.227,35 4.484,36 6.346,37 4.366,38 5.324,39 5.581,40 4.102,41 4.463,42 6.216,43 4.307,44 5.322,45 5.593,46 4.001,47 4.399,48 6.267,49 4.222,50 5.238,51 5.523,52 3.814,53 4.292,54 6.005,55 4.107,56 0.065,57 1.107,58 17.791,59 7.924,60 12.491,61 10.392,62 0.152,63 1.836,64 32.767,65 13.565,66 28.885,67 18.569,68 0.55,69 2.34,70 49.362,71 17.57,72 69.716,73 24.926,74 0.947,75 2.328,76 50.008,77 16.884,78 127.872,79 24.226,80 0.695,81 2.242,82 48.508,83 16.754,84 106.625,85 23.684,86 0.489,87 2.206,88 47.686,89 17.65,90 81.566,91 25.331,92 0.731,93 2.125,94 48.514,95 17.562,96 120.792,97 25.403,98 0.492,99 1.935,100 44.919,101 15.939,102 74.812,103 23.119,104 17,105 61,106 0.222,107 0.54,108 0.677,109 0.792,110 0.851,111 0.878,112 3.74,113 0.996,114 -4.33,115 -4.26,116 -4.02,121 41.3,123 12,127 2,137 1,140 1,144 6,145 3,146 4,148 2,159 1,160 1,176 15,180 9,183 1,185 8,187 19,191 1,192 5,195 1,197 5,200 11,205 1,206 6,209 4,210 1,211 9,214 14,218 1,219 4,222 1,224 6,227 16,232 3,235 1,237 3,239 17,244 5,247 2,248 2,249 3,251 16,256 4,261 2,264 13,269 4,274 4,277 14,281 3603,282 28.087,283 28.087,284 28.087,285 28.087,286 28.087,287 25.579,288 28.642,289 17.178,290 28.388,291 22.292,292 22.292,293 22.292,294 22.292,295 22.292,296 18.238,297 33.197,298 8.261,299 22.797,300 4.862,301 2.772,302 1.868,303 1.113,304 0.725,305 0.55,306 4.449,312 1,313 1718,314 4.528,318 610.174,322 618.712,325 2.823,326 48.146,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 88.5,338 781,339 4.64,340 3.712,341 6.829,342 4.207,343 3.226,344 4.564,345 1.058,346 11.348,347 3.162,348 4.548,349 3.495,350 6.757,351 4.171,352 3.192,353 4.215,354 0.86,355 10.993,356 3.125,357 4.066,358 3.361,359 6.008,360 3.676,361 2.697,362 3.462,363 0.4,364 8.511,365 2.63,366 3.914,367 2.952,368 5.982,369 3.524,370 2.532,371 3.437,373 8.37,374 2.512,375 3.638,376 2.669,377 5.381,378 3.257,379 2.269,380 2.959,382 6.711,383 2.231,384 3.522,385 2.552,386 5.241,387 3.136,388 2.182,389 2.893,391 6.46,392 2.08,393 3.286,394 2.356,395 5.041,396 2.938,397 1.975,398 2.526,400 5.762,401 1.927,402 3.131,403 2.29,404 4.654,405 2.885,406 1.919,407 2.256,409 4.699,410 1.814,411 2.948,412 1.959,413 4.192,414 2.745,415 1.762,416 2.142,418 3.932,419 1.728,420 2.932,421 1.894,422 4.116,423 2.682,424 1.692,425 1.943,427 3.753,428 1.655,429 2.816,430 1.83,431 3.987,432 2.521,433 1.538,434 1.81,436 3.466,437 1.511,438 2.701,439 1.669,440 3.888,441 2.462,442 1.484,443 1.682,445 3.329,446 1.445,447 2.595,448 1.524,449 3.711,450 2.345,451 1.347,452 1.601,454 3.233,455 1.343,456 2.491,457 1.44,458 3.594,459 2.242,460 1.271,461 1.488,463 2.902,464 1.24,465 2.43,466 1.35,467 3.571,468 2.237,469 1.247,470 1.399,472 2.851,473 1.217,474 19.367,475 0.472,476 0.836,477 0.02,478 48,479 1.171,480 22.5,481 0.549,482 25.5,483 0.622,484 42.858,485 1.045,486 45.433,487 0.568,488 37.155,489 0.906,490 8.516,491 0.208,492 11.493,493 0.28,494 0.069,496 0.31,501 0.826,502 1.198,503 0.87,504 1.077,505 0.699,506 0.992,507 0.658,508 1.274,509 0.904,510 1.201,511 0.497,512 1.104,513 0.839,514 1.031,515 0.831,516 0.944,517 0.753,518 0.891,519 0.747,520 1.023,521 0.894,522 0.97,523 0.701,524 0.947,525 1.056,526 1.004,527 1.101,528 1.002,529 0.95,530 1.043,531 0.681,532 1.055,533 1.015,534 1.095,535 0.655,536 1.101,537 0.606,538 0.988,539 0.987,540 1.044,541 0.641,542 1.073,543 0.809,544 0.896,545 1.004,546 0.95,547 0.834,548 0.998,549 6,550 0.153,551 3.778,552 3.063,553 2.489,554 1.049,555 0.647,556 0.339,557 0.238,558 0.188,559 38767,560 94368,561 2.105,562 48.8,563 18,564 11,567 4,568 2,569 4,572 1.793,573 2,574 4.082,575 1.362,582 116.794,583 1.46,584 3.55,585 4.454,586 5.209,587 5.597,588 5.772,589 3.396,590 4.705,591 5.34,592 4.414,593 3619.88,594 9.348,595 76051.9,600 505.754,601 1.282,602 5.302,603 0.133,604 0.005,605 0.062,606 0.046,607 0.04,608 0.02,609 0.014,610 0.009,611 0.007,612 0.006,613 0.343,615 0.63,616 0.458,617 244.834,618 -0.068,619 0.01,620 0.028,621 0.054,622 -0.037,623 0.056,624 0.045,625 -0.15,626 0.012,627 -0.125,628 0.09,629 -0.071,630 0.074,631 -0.017,632 0.148,633 0.047,634 0.052,635 0.1,636 0.268,637 0.005,638 0.101,639 -0.003,640 0.249,641 0.023,642 -0.051,643 0.013,644 -0.111,645 -0.027,646 0.023,647 -0.068,648 0.033,649 -0.073,650 -0.06,651 -0.098,652 0.064,653 -0.092,654 0.156,655 -0.045,656 -0.018,657 -0.062,658 0.162,659 -0.068,660 -0.054,661 0.035,662 -0.031,663 0.018,664 -0.059,665 0.002,666 2.2,667 5.42,668 0.585,669 53.491,670 0.998,671 1.125,672 3.098,673 9.595,674 0.65,675 3.829,676 4.127,677 4.407,678 4.7,679 4.942,680 5.037,681 5.106,682 5.165,683 5.198,684 5.03,685 11.874,686 0.614,687 557.75,688 3.829,689 5.361,690 6.209,691 7.084,692 7.953,693 8.842,694 9.722,695 10.618,696 11.505,697 12.405,698 3.8,703 1,705 1,708 1,714 2,715 6,716 1,720 7,722 17,727 1,734 1,738 2,739 1,741 80,743 20,744 2,745 45,747 84,748 33,749 15,750 6,751 6,752 4,756 5,757 9,767 4,770 12,772 19,773 14,777 3,782 2,784 1,786 3,793 39,794 8,795 4,796 8,802 3,808 0.4,809 5,822 1,829 5,833 3,843 1,849 2,859 2,868 41,875 2,876 14,877 2,878 1,893 6.3,895 2,896 2,898 1,901 20.5,902 13.933,903 9.139,904 5.492,907 3.704,908 1.43,909 0.961,910 10.05,911 12.323,912 4.052,913 4.615,914 5.203,915 5.792,916 6.351,917 6.672,918 6.972,919 7.285,920 7.549,921 7.381,922 0.917,923 66,924 15.333,926 6.645,927 0.026,929 7.756,931 29.625,933 24.9,936 2.256,937 92.5,941 411.989,942 137.886,943 52.807,945 146.656,948 137.886,949 558.645,950 52.807,952 52.637,953 66.334,954 185.534,955 32.845,957 411.989,959 411.989,960 190.693,961 146.656,964 364.904,965 193.741,968 57.537,969 83.64,970 49.516,972 411.989,973 199.463,974 137.886,977 411.989,978 71.553,979 66.334,980 36.022,981 163.442,982 411.989,983 199.463,984 137.886,986 0.569,987 0.332,988 0.19,989 0.105,990 27,991 12,992 0.155,993 13,994 3,995 1.25,996 5.353,997 381.389,998 0.25,999 24,1000 219.66,1005 29.253,1006 14.086,1007 7.343,1008 2.338,1009 199.463,1010 10.742,1011 4.93,1015 3.294,1017 121.388,1018 749.338,1019 56.5,1024 24.692,1026 1.066,1028 -1.158,1031 79.847,1032 90.016,1034 0.231,1035 0.562,1036 0.704,1037 0.824,1038 0.885,1039 0.913,1040 5.29,1041 1.919,1042 6.172,1043 5.762,1044 4.812,1045 5.303,1046 1.617,1047 6.978,1048 4.766,1049 6.473,1050 1.762,1051 7.72,1052 4.699,1053 4.29,1054 5.147,1056 7.883,1057 4.221,1058 7.777,1059 1.692,1060 9.378,1061 3.932,1062 6.382,1063 7.502,1064 1.538,1065 11.046,1066 6.293,1067 9.121,1068 1.538,1069 11.104,1070 3.753,1071 6.735,1072 8.224,1074 12.841,1075 6.625,1076 10.505,1077 1.484,1078 12.876,1079 3.466,1080 8.262,1081 10.058,1082 1.532,1083 15.512,1084 8.134,1085 11.917,1086 1.347,1087 14.68,1088 3.329,1089 9.048,1090 11.187,1092 17.668,1093 8.9,1094 13.351,1095 1.271,1096 16.507,1097 3.233,1098 10.344,1099 12.817,1100 1.557,1101 20.171,1102 10.177,1103 3.226,1104 1.247,1105 18.351,1106 2.902,1107 11.337,1108 14.138,1110 22.476,1111 11.149,1112 3.192,1113 11.348,1114 20.207,1115 2.851,1116 12.542,1117 15.686,1118 1.603,1119 24.921,1120 12.335,1121 2.697,1122 10.993,1123 22.074,1124 4.564,1125 13.628,1126 17.1,1128 27.288,1129 13.4,1130 2.532,1131 8.511,1132 23.948,1133 4.215,1134 14.801,1135 18.615,1136 1.663,1137 29.712,1138 14.553,1139 2.269,1140 8.37,1141 25.829,1142 3.462,1143 15.929,1144 20.073,1146 32.107,1147 15.66,1148 2.182,1149 6.711,1150 27.715,1151 3.437,1152 17.092,1153 21.578,1154 1.734,1155 34.525,1156 16.802,1157 1.975,1158 6.46,1159 29.606,1160 2.959,1161 18.238,1162 23.058,1164 36.931,1165 17.928,1166 35783,1167 56421,1168 30.512,1169 51.995,1170 65.988,1171 68.373,1172 67.579,1173 65.706,1174 65.614,1175 82.152,1176 4.637,1177 183.619,1178 64.084,1179 5.621,1180 5.712,1181 6.774,1182 5.304,1183 5.226,1184 7.564,1185 2.117,1186 18.879,1187 5.162,1188 18.646,1189 1.466,1190 1.519,1191 1.502,1192 1.46,1193 1.458,1194 1.826,1195 0.103,1196 4.08,1197 1.424,1198 4.117,1199 4.148,1200 4.077,1201 4.043,1202 7.435,1203 4.048,1204 3.995,1205 3.997,1206 3.97,1207 3.893,1208 7.423,1209 3.91,1210 3.809,1211 3.871,1212 3.662,1213 3.689,1214 6.492,1215 3.671,1216 3.732,1217 3.781,1218 3.617,1219 3.649,1220 6.445,1221 3.635,1222 3.693,1223 3.756,1224 3.586,1225 3.539,1226 4.973,1227 3.536,1228 3.59,1229 3.633,1230 3.466,1231 3.444,1232 4.748,1233 3.451,1234 3.454,1235 3.513,1236 3.311,1237 3.291,1238 4.413,1239 3.283,1240 3.305,1241 3.369,1242 3.188,1243 3.153,1244 4.275,1245 3.146,1246 0.103,1247 0.082,1248 0.152,1249 0.093,1250 0.072,1251 4.64,1252 0.101,1253 3.712,1254 0.024,1255 6.829,1256 0.252,1257 4.207,1258 0.07,1259 3.226,1260 4.564,1261 1.058,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.44,1269 2.163,1270 1.921,1271 1.919,1272 2.061,1273 2.044,1274 1.421,1275 2.023,1276 1.815,1277 1.754,1278 1.975,1279 1.972,1280 1.286,1281 2.001,1282 1.754,1283 1.709,1284 1.951,1285 1.876,1286 1.15,1287 1.904,1288 1.688,1289 1.624,1290 1.938,1291 1.871,1292 1.085,1293 1.896,1294 1.545,1295 1.512,1296 1.772,1297 1.748,1298 1.063,1299 1.753,1300 1.444,1301 1.384,1302 1.618,1303 1.632,1304 0.825,1305 1.635,1306 1.289,1307 1.229,1308 1.535,1309 1.497,1310 0.753,1311 1.513,1312 4.511,1314 5.814,1316 7.322,1318 8.942,1320 10.629,1327 19.494,1328 15.117,1329 6.539,1330 5.446,1340 49.121,1341 116.794,1342 284.013,1343 356.296,1344 416.735,1345 447.754,1346 461.754,1347 101.073,1348 8.619,1349 124.69,1350 124.69,1351 30,1352 12.93,1353 4.392,1354 3.644,1355 67.459,1356 309,1357 198,1358 0.102,1359 298.513,1360 532.87,1361 720.133,1362 106649,1364 28.606,1365 0.698,1366 0.573,1367 28.606,1368 23.507,1369 20.008,1370 0.445,1371 0.332,1372 14.793,1373 19.419,1374 14.562,1375 12.065,1376 20.008,1377 14.935,1378 17.507,1379 0.287,1380 0.18,1381 17.507,1382 10.96,1383 14.511,1384 0.179,1385 0.097,1386 14.511,1387 7.879,1388 12.706,1389 0.117,1390 0.053,1391 12.706,1392 5.753,1393 10.119,1394 0.073,1395 0.03,1396 10.119,1397 4.126,1398 0.174,1399 124.491,1400 0.181,1401 38.415,1402 0.246,1403 212,1404 585.817,1405 230.228,1406 563.395,1407 768.32,1408 526,1409 248,1410 565.803,1411 266.453,1412 568.287,1413 837.87,1414 539,1415 8.638}
{0 CHEMBL2019048,1 1.529,2 20.279,3 7.75,4 60.067,5 170.727,6 7.304,7 0.362,8 4.498,9 4.611,10 4.038,11 4.041,12 5.538,13 4.007,14 5.071,15 5.244,16 4.398,17 4.45,18 6.073,19 4.384,20 5.381,21 5.608,22 4.515,23 4.597,24 6.357,25 4.509,26 5.394,27 5.619,28 4.505,29 4.569,30 6.496,31 4.478,32 5.389,33 5.626,34 4.359,35 4.55,36 6.389,37 4.433,38 5.379,39 5.624,40 4.282,41 4.528,42 6.267,43 4.383,44 5.371,45 5.632,46 4.213,47 4.49,48 6.3,49 4.318,50 5.3,51 5.563,52 4.021,53 4.388,54 6.148,55 4.207,56 0.042,57 1.133,58 17.847,59 8.197,60 10.624,61 10.651,62 0.212,63 1.868,64 34.773,65 14.123,66 32.703,67 18.964,68 0.581,69 2.36,70 52.902,71 18.44,72 68.267,73 25.487,74 0.985,75 2.389,76 53.267,77 17.908,78 116.931,79 25.143,80 0.69,81 2.345,82 52.29,83 18.196,84 104.962,85 25.3,86 0.643,87 2.271,88 52.937,89 18.734,90 79.391,91 26.098,92 0.769,93 2.189,94 55.851,95 19.223,96 105.484,97 26.97,98 0.611,99 1.993,100 54.974,101 17.675,102 87.374,103 24.486,104 27,105 64,106 0.231,107 0.547,108 0.7,109 0.799,110 0.849,111 0.874,112 3.787,113 1.009,114 -4.69,115 -4.61,116 -4.33,121 41,123 12,126 1,127 2,137 1,140 1,144 5,145 3,146 5,148 2,159 1,160 1,176 13,180 11,183 1,185 6,187 20,191 1,192 4,195 1,197 5,200 11,205 2,206 8,209 4,211 8,214 15,218 1,219 4,222 1,224 5,227 14,231 1,232 4,237 3,239 17,243 1,244 5,247 2,248 1,249 3,251 16,256 4,261 2,264 14,269 5,274 3,277 14,281 4102,282 29.405,283 29.405,284 29.405,285 29.405,286 29.405,287 26.925,288 32.4,289 17.821,290 29.98,291 23.203,292 23.203,293 23.203,294 23.203,295 23.203,296 19.074,297 37.326,298 8.495,299 24.084,300 4.846,301 2.755,302 1.739,303 1.082,304 0.756,305 0.587,306 4.493,308 1,312 1,313 1906,314 4.69,318 644.625,322 653.38,325 2.885,326 48.831,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 92.833,338 872,339 4.651,340 3.713,341 6.833,342 4.214,343 3.235,344 4.582,345 1.058,346 11.364,347 3.165,348 4.552,349 3.496,350 6.759,351 4.174,352 3.196,353 4.22,354 0.86,355 11.006,356 3.127,357 4.071,358 3.373,359 6.009,360 3.681,361 2.703,362 3.534,363 0.86,364 8.519,365 2.632,366 3.99,367 3,368 6.004,369 3.58,370 2.61,371 3.468,372 0.4,373 8.477,374 2.532,375 3.684,376 2.943,377 5.427,378 3.316,379 2.347,380 3.004,382 6.956,383 2.269,384 3.584,385 2.62,386 5.39,387 3.193,388 2.252,389 2.961,391 6.886,392 2.104,393 3.365,394 2.562,395 5.069,396 2.942,397 1.989,398 2.699,400 5.82,401 1.928,402 3.286,403 2.432,404 4.899,405 2.893,406 1.973,407 2.526,409 5.573,410 1.815,411 3.169,412 2.271,413 4.753,414 2.874,415 1.917,416 2.292,418 4.89,419 1.742,420 2.943,421 1.959,422 4.201,423 2.769,424 1.788,425 1.946,427 3.939,428 1.705,429 2.822,430 1.897,431 4.121,432 2.712,433 1.722,434 1.822,436 3.761,437 1.689,438 2.72,439 1.829,440 3.985,441 2.484,442 1.514,443 1.728,445 3.469,446 1.463,447 2.635,448 1.653,449 3.884,450 2.422,451 1.433,452 1.623,454 3.362,455 1.411,456 2.492,457 1.465,458 3.697,459 2.251,460 1.277,461 1.49,463 3.122,464 1.246,465 2.431,466 1.433,467 3.585,468 2.239,469 1.255,470 1.4,472 2.865,473 1.22,474 20.581,475 0.479,476 0.904,477 0.021,478 49.5,479 1.151,480 22.5,481 0.523,482 27,483 0.628,484 47.342,485 1.101,486 47.819,487 0.576,488 38.889,489 0.904,490 8.832,491 0.205,492 12.108,493 0.282,494 0.108,496 0.316,501 0.773,502 1.249,503 0.741,504 1.073,505 0.63,506 0.991,507 0.781,508 1.216,509 0.79,510 1.079,511 0.529,512 1.024,513 0.861,514 1.03,515 0.823,516 0.928,517 0.764,518 0.884,519 0.722,520 1.058,521 0.825,522 0.985,523 0.773,524 0.969,525 0.958,526 1.013,527 0.878,528 0.959,529 0.925,530 1,531 0.845,532 1.036,533 0.912,534 1.024,535 0.855,536 1.063,537 0.661,538 0.993,539 1.014,540 1.041,541 0.718,542 1.062,543 1.02,544 0.955,545 1.268,546 1.059,547 1.141,548 1.082,549 7,550 0.169,551 4,552 3.25,553 2.8,554 1.25,555 0.87,556 0.476,557 0.283,558 0.208,559 43369,560 113142,561 2.086,562 48.2,563 18,564 13,567 3,568 2,569 4,572 1.805,573 1.969,574 4.169,575 0.687,582 126.913,583 1.529,584 3.62,585 4.636,586 5.293,587 5.619,588 5.788,589 3.509,590 5.101,591 5.409,592 4.47,593 4036.35,594 9.488,595 87591.2,600 529.128,601 1.338,602 5.365,603 0.149,604 0.005,605 0.063,606 0.046,607 0.042,608 0.022,609 0.017,610 0.011,611 0.008,612 0.006,613 0.369,614 0.17,615 0.63,616 0.613,617 260.151,618 -0.045,619 -0.035,620 0.027,621 0.009,622 -0.015,623 0.033,624 0.01,625 -0.1,626 0.038,627 -0.049,628 0.09,629 -0.017,630 0.051,631 -0.006,632 0.106,633 0.056,634 0.06,635 0.104,636 0.257,637 -0.017,638 0.073,639 -0.026,640 0.217,641 -0.002,642 -0.019,643 0.006,644 -0.017,645 -0.002,646 0.059,647 -0.027,648 0.004,649 -0.05,650 -0.019,651 -0.047,652 -0.014,653 -0.07,654 0.135,655 -0.043,656 -0.003,657 -0.046,658 0.128,659 -0.051,660 -0.116,661 -0.021,662 -0.143,663 -0.06,664 -0.122,665 -0.078,666 2.141,667 5.528,668 0.558,669 57.735,670 1.001,671 1.125,672 3.462,673 11.985,674 0.658,675 3.871,676 4.174,677 4.454,678 4.745,679 5.004,680 5.124,681 5.22,682 5.273,683 5.318,684 5.176,685 12.229,686 0.62,687 606.22,688 3.871,689 5.407,690 6.256,691 7.133,692 8.005,693 8.895,694 9.779,695 10.677,696 11.567,697 12.469,698 3.6,703 1,705 1,708 1,714 2,715 5,716 1,720 8,722 17,727 1,734 1,738 1,739 2,740 1,741 83,743 20,744 2,745 47,747 87,748 34,749 15,750 7,751 5,752 4,756 5,757 9,758 1,767 4,770 12,772 19,773 15,777 3,782 2,784 1,786 3,793 40,794 8,795 3,796 9,797 1,802 3,808 0.4,809 5,822 1,829 5,833 3,843 1,849 2,859 2,864 1,865 1,868 43,875 1,876 14,877 2,878 2,892 1,893 6,895 1,896 2,898 2,901 21.833,902 14.96,903 9.639,904 5.63,907 3.724,908 1.425,909 0.966,910 11.094,911 12.482,912 4.086,913 4.654,914 5.243,915 5.836,916 6.413,917 6.768,918 7.092,919 7.402,920 7.666,921 7.544,922 0.923,923 70,924 16.048,926 6.882,927 0.026,929 7.727,931 31.019,933 25.853,936 2.227,937 95.778,941 435.531,942 148.037,943 52.807,944 39.149,945 114.973,948 148.037,949 589.652,950 52.807,951 10.883,952 52.637,953 56.857,954 142.851,955 52.589,957 435.531,958 39.149,959 435.531,960 200.844,961 114.973,962 39.149,964 388.446,965 162.057,968 57.537,969 93.791,970 88.665,972 435.531,973 167.78,974 187.186,977 435.531,978 80.297,979 67.741,980 36.022,981 170.907,982 435.531,983 167.78,984 187.186,986 0.57,987 0.333,988 0.187,989 0.107,990 28,991 13,992 0.161,993 14,994 3,995 1.25,996 5.467,997 407.785,998 0.25,999 24,1000 233.329,1005 31.463,1006 15.161,1007 7.957,1008 2.154,1009 167.78,1010 8.84,1011 4.913,1015 4.837,1017 78.705,1018 790.497,1019 58.5,1024 24.936,1026 1.114,1028 -1.002,1031 83.054,1032 93.375,1034 0.24,1035 0.568,1036 0.727,1037 0.83,1038 0.881,1039 0.908,1040 5.329,1041 1.973,1042 6.225,1043 5.82,1044 4.86,1045 5.342,1046 1.875,1047 7.034,1048 4.791,1049 6.517,1050 1.917,1051 7.777,1052 5.573,1053 4.369,1054 5.223,1056 7.943,1057 4.255,1058 7.825,1059 1.788,1060 9.436,1061 4.89,1062 6.438,1063 7.549,1064 1.749,1065 11.093,1066 6.316,1067 9.173,1068 1.722,1069 11.161,1070 3.939,1071 6.804,1072 8.287,1074 12.876,1075 6.652,1076 10.558,1077 1.514,1078 12.929,1079 3.761,1080 8.316,1081 10.105,1082 1.693,1083 15.544,1084 8.154,1085 11.971,1086 1.433,1087 14.728,1088 3.469,1089 9.104,1090 11.239,1092 17.692,1093 8.919,1094 13.404,1095 1.277,1096 16.55,1097 3.362,1098 10.392,1099 12.862,1100 1.676,1101 20.194,1102 10.194,1103 3.235,1104 1.255,1105 18.389,1106 3.122,1107 11.384,1108 14.186,1110 22.496,1111 11.165,1112 3.196,1113 11.364,1114 20.241,1115 2.865,1116 12.585,1117 15.731,1118 1.688,1119 24.94,1120 12.35,1121 2.703,1122 11.006,1123 22.103,1124 4.582,1125 13.67,1126 17.147,1128 27.307,1129 13.414,1130 2.61,1131 8.519,1132 23.974,1133 4.22,1134 14.841,1135 18.663,1136 1.723,1137 29.732,1138 14.567,1139 2.347,1140 8.477,1141 25.852,1142 3.534,1143 15.968,1144 20.123,1146 32.126,1147 15.673,1148 2.252,1149 6.956,1150 27.736,1151 3.468,1152 17.131,1153 21.63,1154 1.776,1155 34.545,1156 16.816,1157 1.989,1158 6.886,1159 29.625,1160 3.004,1161 18.278,1162 23.113,1164 36.952,1165 17.942,1166 40297,1167 65521,1168 31.611,1169 54.614,1170 68.681,1171 71.796,1172 71.021,1173 68.648,1174 68.466,1175 85.184,1176 6.357,1177 192.897,1178 65.871,1179 5.632,1180 5.713,1181 6.778,1182 5.313,1183 5.235,1184 7.582,1185 2.117,1186 18.902,1187 5.165,1188 21.636,1189 1.461,1190 1.528,1191 1.511,1192 1.461,1193 1.457,1194 1.812,1195 0.135,1196 4.104,1197 1.402,1198 4.12,1199 4.148,1200 4.128,1201 4.049,1202 7.435,1203 4.052,1204 3.999,1205 4,1206 3.975,1207 3.896,1208 7.423,1209 3.913,1210 3.809,1211 3.871,1212 3.778,1213 3.69,1214 6.468,1215 3.672,1216 3.736,1217 3.78,1218 3.66,1219 3.659,1220 5.038,1221 3.643,1222 3.695,1223 3.757,1224 3.591,1225 3.539,1226 4.862,1227 3.538,1228 3.597,1229 3.638,1230 3.476,1231 3.448,1232 4.685,1233 3.455,1234 3.462,1235 3.522,1236 3.398,1237 3.296,1238 4.587,1239 3.288,1240 3.326,1241 3.383,1242 3.296,1243 3.173,1244 4.275,1245 3.164,1246 0.099,1247 0.079,1248 0.145,1249 0.09,1250 0.069,1251 4.651,1252 0.097,1253 3.713,1254 0.023,1255 6.833,1256 0.242,1257 4.214,1258 0.067,1259 3.235,1260 4.582,1261 1.058,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.149,1267 2.158,1268 1.44,1269 2.159,1270 1.923,1271 1.921,1272 2.061,1273 2.047,1274 1.421,1275 2.025,1276 1.815,1277 1.754,1278 1.978,1279 1.972,1280 1.286,1281 2.002,1282 1.75,1283 1.709,1284 1.944,1285 1.877,1286 1.15,1287 1.902,1288 1.688,1289 1.625,1290 1.922,1291 1.861,1292 1.095,1293 1.889,1294 1.549,1295 1.518,1296 1.771,1297 1.752,1298 1.065,1299 1.755,1300 1.448,1301 1.387,1302 1.639,1303 1.648,1304 0.824,1305 1.652,1306 1.288,1307 1.233,1308 1.562,1309 1.528,1310 0.752,1311 1.539,1312 4.554,1314 5.861,1316 7.371,1318 8.992,1320 10.68,1322 1.446,1323 6.245,1327 10.078,1328 14.958,1329 6.565,1330 10.693,1340 51.475,1341 126.913,1342 300.455,1343 384.815,1344 439.354,1345 466.373,1346 480.373,1347 104.875,1348 8.758,1349 113.69,1350 113.69,1351 30,1352 12.993,1353 4.392,1354 3.644,1355 72.56,1356 334,1357 239,1358 0.102,1359 316.439,1360 565.38,1361 763.87,1362 125585,1363 1.2,1364 30.183,1365 0.702,1366 0.594,1367 30.683,1368 25.525,1369 20.94,1370 0.446,1371 0.336,1372 15.285,1373 19.957,1374 14.964,1375 12.402,1376 21.229,1377 15.801,1378 18.309,1379 0.286,1380 0.183,1381 18.718,1382 11.723,1383 15.285,1384 0.18,1385 0.099,1386 15.548,1387 8.394,1388 13.106,1389 0.115,1390 0.053,1391 13.341,1392 6.053,1393 10.692,1394 0.072,1395 0.03,1396 10.924,1397 4.391,1398 0.174,1399 133.795,1400 0.178,1401 39.839,1402 0.246,1403 222,1404 635.606,1405 256.522,1406 635.506,1407 856.37,1408 594,1409 260,1410 604.181,1411 289.208,1412 617.3,1413 908.87,1414 583,1415 10.456}
{0 CHEMBL2019049,1 1.544,2 19.643,3 7.499,4 56.24,5 165.958,6 7.402,7 0.37,8 4.465,9 4.577,10 4.011,11 4.016,12 5.526,13 3.983,14 5.029,15 5.198,16 4.382,17 4.431,18 6.061,19 4.365,20 5.368,21 5.597,22 4.492,23 4.573,24 6.365,25 4.484,26 5.367,27 5.596,28 4.477,29 4.527,30 6.512,31 4.438,32 5.337,33 5.57,34 4.308,35 4.503,36 6.361,37 4.387,38 5.329,39 5.581,40 4.242,41 4.488,42 6.246,43 4.337,44 5.331,45 5.592,46 4.158,47 4.442,48 6.304,49 4.267,50 5.251,51 5.521,52 3.961,53 4.341,54 6.067,55 4.154,56 0.07,57 1.096,58 16.958,59 7.854,60 12.85,61 10.109,62 0.161,63 1.819,64 32.425,65 13.671,66 30.105,67 18.341,68 0.61,69 2.321,70 52.278,71 18.159,72 75.447,73 25.031,74 1.014,75 2.313,76 52.12,77 17.314,78 132.889,79 24.268,80 0.734,81 2.234,82 49.521,83 17.163,84 109.871,85 23.661,86 0.557,87 2.189,88 50.172,89 18.104,90 86.465,91 25.474,92 0.801,93 2.098,94 54.089,95 18.435,96 127.992,97 25.805,98 0.613,99 1.901,100 53.067,101 16.979,102 87.672,103 23.609,104 26,105 63,106 0.235,107 0.555,108 0.688,109 0.796,110 0.851,111 0.878,112 3.764,113 1.005,114 -4.51,115 -4.44,116 -4.18,121 41.3,123 12,127 2,137 1,140 1,144 5,145 3,146 5,148 2,159 1,160 1,176 13,180 9,183 1,185 8,187 20,191 1,192 4,195 1,197 5,200 11,205 1,206 7,209 4,210 1,211 9,214 15,218 1,219 4,222 1,224 5,227 14,232 3,235 1,237 4,239 17,244 5,247 2,248 2,249 3,251 16,256 4,261 2,264 14,269 4,274 4,277 14,281 3836,282 28.534,283 28.534,284 28.534,285 28.534,286 28.534,287 26.002,288 30.243,289 17.315,290 28.972,291 22.775,292 22.775,293 22.775,294 22.775,295 22.775,296 18.651,297 33.838,298 8.34,299 23.547,300 4.778,301 2.671,302 1.794,303 1.088,304 0.725,305 0.55,306 4.47,308 1,312 1,313 1808,314 4.583,318 625.635,322 633.643,325 2.823,326 51.578,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 90.833,338 825,339 4.651,340 3.712,341 6.833,342 4.214,343 3.235,344 4.582,345 1.058,346 11.364,347 3.165,348 4.548,349 3.495,350 6.757,351 4.171,352 3.192,353 4.215,354 0.86,355 10.993,356 3.125,357 4.066,358 3.373,359 6.008,360 3.676,361 2.697,362 3.534,363 0.4,364 8.511,365 2.63,366 3.99,367 2.952,368 6.004,369 3.58,370 2.61,371 3.462,373 8.477,374 2.532,375 3.638,376 2.943,377 5.427,378 3.257,379 2.269,380 2.961,382 6.886,383 2.231,384 3.584,385 2.562,386 5.241,387 3.193,388 2.252,389 2.959,391 6.46,392 2.104,393 3.365,394 2.552,395 5.041,396 2.942,397 1.989,398 2.699,400 5.762,401 1.928,402 3.286,403 2.29,404 4.899,405 2.892,406 1.973,407 2.526,409 5.573,410 1.815,411 3.131,412 2.271,413 4.654,414 2.873,415 1.916,416 2.256,418 4.699,419 1.732,420 2.942,421 1.959,422 4.192,423 2.744,424 1.762,425 1.945,427 3.932,428 1.701,429 2.82,430 1.894,431 4.121,432 2.682,433 1.692,434 1.821,436 3.754,437 1.655,438 2.718,439 1.829,440 3.985,441 2.483,442 1.512,443 1.726,445 3.466,446 1.462,447 2.634,448 1.653,449 3.884,450 2.421,451 1.432,452 1.622,454 3.362,455 1.41,456 2.492,457 1.465,458 3.697,459 2.251,460 1.276,461 1.49,463 3.122,464 1.246,465 2.431,466 1.433,467 3.585,468 2.238,469 1.255,470 1.399,472 2.865,473 1.219,474 20.081,475 0.478,476 0.942,477 0.022,478 48.75,479 1.161,480 22.5,481 0.536,482 26.25,483 0.625,484 45.507,485 1.083,486 46.519,487 0.581,488 37.975,489 0.904,490 8.588,491 0.204,492 11.814,493 0.281,494 0.102,496 0.324,501 0.797,502 1.196,503 0.74,504 1.017,505 0.688,506 0.957,507 0.647,508 1.271,509 0.773,510 1.134,511 0.487,512 1.065,513 0.848,514 1.031,515 0.821,516 0.931,517 0.762,518 0.888,519 0.717,520 1.029,521 0.803,522 0.954,523 0.689,524 0.938,525 1.001,526 1.002,527 0.911,528 0.949,529 0.926,530 1.013,531 0.647,532 1.056,533 0.858,534 1.046,535 0.642,536 1.068,537 0.676,538 0.984,539 1.033,540 1.038,541 0.681,542 1.071,543 0.935,544 0.897,545 1.25,546 1.021,547 0.91,548 1.051,549 7,550 0.169,551 4,552 3.25,553 2.68,554 1.188,555 0.809,556 0.417,557 0.283,558 0.208,559 40932,560 109485,561 2.088,562 47.5,563 18,564 10,567 4,568 2,569 4,572 1.799,573 1.969,574 4.124,575 1.368,582 123.503,583 1.544,584 3.651,585 4.527,586 5.234,587 5.597,588 5.772,589 3.481,590 4.964,591 5.375,592 4.441,593 3824.08,594 9.419,595 81555.1,600 505.754,601 1.351,602 5.33,603 0.152,604 0.005,605 0.063,606 0.048,607 0.042,608 0.022,609 0.017,610 0.01,611 0.008,612 0.006,613 0.374,615 0.63,616 0.494,617 252.401,618 -0.071,619 0.011,620 0.015,621 0.053,622 -0.039,623 0.054,624 0.04,625 -0.147,626 0.032,627 -0.1,628 0.098,629 -0.055,630 0.051,631 -0.015,632 0.105,633 0.049,634 0.042,635 0.099,636 0.259,637 0.002,638 0.097,639 -0.002,640 0.245,641 0.028,642 -0.048,643 0.019,644 -0.051,645 0.006,646 0.022,647 -0.044,648 0.063,649 -0.071,650 0.024,651 -0.064,652 0.077,653 -0.06,654 0.126,655 -0.041,656 -0.015,657 -0.045,658 0.141,659 -0.059,660 -0.098,661 0.03,662 -0.117,663 -0.021,664 -0.091,665 -0.037,666 2.204,667 5.428,668 0.571,669 55.079,670 1.002,671 1.124,672 3.281,673 10.764,674 0.661,675 3.85,676 4.159,677 4.431,678 4.727,679 4.977,680 5.094,681 5.165,682 5.242,683 5.273,684 5.118,685 12.032,686 0.624,687 592.19,688 3.85,689 5.389,690 6.236,691 7.116,692 7.985,693 8.877,694 9.758,695 10.657,696 11.545,697 12.448,698 3.8,703 1,705 1,708 1,714 2,715 5,716 1,720 8,722 17,727 1,734 1,738 2,739 1,740 1,741 80,743 20,744 2,745 46,747 84,748 33,749 15,750 7,751 5,752 4,756 5,757 9,758 1,767 4,770 12,772 19,773 14,777 3,782 2,784 1,786 3,793 38,794 8,795 4,796 9,797 1,802 3,808 0.4,809 5,822 1,829 5,833 3,843 1,849 2,859 2,865 1,868 42,875 2,876 14,877 2,878 1,892 1,893 6.3,895 2,896 2,898 1,901 21.333,902 13.993,903 9.306,904 5.472,907 3.711,908 1.427,909 0.961,910 10.511,911 12.403,912 4.069,913 4.644,914 5.227,915 5.823,916 6.394,917 6.746,918 7.048,919 7.384,920 7.638,921 7.5,922 1,923 68,924 15.693,926 6.816,927 0.026,929 7.792,931 30.186,933 25.377,936 2.292,937 96.278,941 400.217,942 131.911,943 52.807,944 39.149,945 146.656,948 131.911,949 586.023,950 52.807,952 52.637,953 56.857,954 185.534,955 36.346,957 400.217,958 39.149,959 400.217,960 184.718,961 146.656,962 39.149,964 353.133,965 193.741,968 57.537,969 77.664,970 88.665,972 400.217,973 199.463,974 171.059,977 400.217,978 75.053,979 56.857,980 36.022,981 202.591,982 400.217,983 199.463,984 171.059,986 0.573,987 0.331,988 0.187,989 0.105,990 28,991 13,992 0.155,993 13,994 3,995 1.25,996 5.397,997 395.299,998 0.25,999 24,1000 224.477,1005 30.495,1006 14.477,1007 7.718,1008 2.145,1009 199.463,1010 8.27,1011 4.907,1015 3.853,1017 121.388,1018 770.74,1019 57.5,1024 24.706,1026 1.063,1028 -1.173,1031 80.17,1032 89.96,1034 0.244,1035 0.577,1036 0.716,1037 0.828,1038 0.885,1039 0.913,1040 5.314,1041 1.973,1042 6.209,1043 5.762,1044 4.844,1045 5.333,1046 1.617,1047 7.018,1048 4.78,1049 6.506,1050 1.916,1051 7.761,1052 5.573,1053 4.369,1054 5.223,1056 7.923,1057 4.255,1058 7.816,1059 1.762,1060 9.42,1061 4.699,1062 6.422,1063 7.541,1064 1.538,1065 11.077,1066 6.307,1067 9.164,1068 1.692,1069 11.144,1070 3.932,1071 6.792,1072 8.281,1074 12.861,1075 6.645,1076 10.549,1077 1.512,1078 12.913,1079 3.754,1080 8.301,1081 10.098,1082 1.532,1083 15.532,1084 8.146,1085 11.961,1086 1.432,1087 14.713,1088 3.466,1089 9.091,1090 11.233,1092 17.682,1093 8.913,1094 13.395,1095 1.276,1096 16.535,1097 3.362,1098 10.379,1099 12.856,1100 1.557,1101 20.186,1102 10.187,1103 3.235,1104 1.255,1105 18.375,1106 3.122,1107 11.372,1108 14.181,1110 22.488,1111 11.159,1112 3.192,1113 11.364,1114 20.228,1115 2.865,1116 12.574,1117 15.726,1118 1.603,1119 24.933,1120 12.344,1121 2.697,1122 10.993,1123 22.092,1124 4.582,1125 13.659,1126 17.142,1128 27.3,1129 13.409,1130 2.61,1131 8.511,1132 23.964,1133 4.215,1134 14.831,1135 18.659,1136 1.663,1137 29.725,1138 14.562,1139 2.269,1140 8.477,1141 25.843,1142 3.534,1143 15.958,1144 20.119,1146 32.12,1147 15.669,1148 2.252,1149 6.886,1150 27.728,1151 3.462,1152 17.121,1153 21.626,1154 1.734,1155 34.539,1156 16.812,1157 1.989,1158 6.46,1159 29.617,1160 2.961,1161 18.268,1162 23.109,1164 36.946,1165 17.938,1166 37923,1167 62505,1168 30.917,1169 52.853,1170 67.592,1171 70.286,1172 69.438,1173 67.496,1174 67.225,1175 83.933,1176 4.637,1177 189.82,1178 64.871,1179 5.632,1180 5.712,1181 6.778,1182 5.311,1183 5.235,1184 7.582,1185 2.117,1186 18.902,1187 5.165,1188 21.304,1189 1.469,1190 1.528,1191 1.51,1192 1.467,1193 1.461,1194 1.825,1195 0.101,1196 4.127,1197 1.41,1198 4.119,1199 4.148,1200 4.128,1201 4.049,1202 7.435,1203 4.052,1204 3.996,1205 3.997,1206 3.972,1207 3.894,1208 7.423,1209 3.91,1210 3.809,1211 3.871,1212 3.778,1213 3.69,1214 6.492,1215 3.672,1216 3.736,1217 3.78,1218 3.659,1219 3.659,1220 6.445,1221 3.643,1222 3.693,1223 3.756,1224 3.586,1225 3.539,1226 5.038,1227 3.536,1228 3.59,1229 3.633,1230 3.473,1231 3.444,1232 4.748,1233 3.451,1234 3.455,1235 3.513,1236 3.397,1237 3.294,1238 4.685,1239 3.286,1240 3.309,1241 3.368,1242 3.285,1243 3.171,1244 4.275,1245 3.16,1246 0.101,1247 0.081,1248 0.149,1249 0.092,1250 0.07,1251 4.651,1252 0.1,1253 3.712,1254 0.023,1255 6.833,1256 0.247,1257 4.214,1258 0.069,1259 3.235,1260 4.582,1261 1.058,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.149,1267 2.158,1268 1.44,1269 2.159,1270 1.921,1271 1.919,1272 2.061,1273 2.044,1274 1.421,1275 2.023,1276 1.815,1277 1.754,1278 1.975,1279 1.972,1280 1.286,1281 2.001,1282 1.75,1283 1.709,1284 1.943,1285 1.876,1286 1.15,1287 1.901,1288 1.688,1289 1.624,1290 1.922,1291 1.861,1292 1.085,1293 1.888,1294 1.545,1295 1.512,1296 1.77,1297 1.747,1298 1.063,1299 1.752,1300 1.443,1301 1.384,1302 1.616,1303 1.631,1304 0.824,1305 1.634,1306 1.285,1307 1.23,1308 1.529,1309 1.493,1310 0.752,1311 1.508,1312 4.533,1314 5.844,1316 7.354,1318 8.976,1320 10.665,1323 6.238,1327 19.501,1328 14.811,1329 6.512,1330 5.445,1340 49.948,1341 123.503,1342 292.055,1343 362.196,1344 418.735,1345 447.754,1346 461.754,1347 107.403,1348 8.692,1349 124.69,1350 124.69,1351 30,1352 12.972,1353 4.392,1354 3.644,1355 69.99,1356 321,1357 210,1358 0.102,1359 306.846,1360 548.08,1361 740.465,1362 115746,1363 1.3,1364 29.476,1365 0.702,1366 0.585,1367 29.976,1368 24.564,1369 20.402,1370 0.444,1371 0.335,1372 14.923,1373 19.504,1374 14.655,1375 12.114,1376 20.691,1377 15.412,1378 18.14,1379 0.288,1380 0.183,1381 18.549,1382 11.541,1383 14.846,1384 0.179,1385 0.098,1386 15.108,1387 8.169,1388 12.97,1389 0.116,1390 0.053,1391 13.205,1392 5.946,1393 10.335,1394 0.072,1395 0.03,1396 10.567,1397 4.289,1398 0.174,1399 130.029,1400 0.18,1401 39.117,1402 0.247,1403 218,1404 620.02,1405 251.748,1406 625.552,1407 839.69,1408 582,1409 255,1410 592.666,1411 283.211,1412 604.936,1413 891.45,1414 573,1415 10.187}
{0 CHEMBL2019052,1 1.46,2 19.585,3 6.835,4 46.716,5 161.153,6 6.972,7 0.378,8 4.461,9 4.578,10 3.958,11 4,12 5.512,13 3.967,14 5.025,15 5.199,16 4.307,17 4.41,18 6.032,19 4.343,20 5.362,21 5.598,22 4.425,23 4.548,24 6.386,25 4.459,26 5.36,27 5.598,28 4.341,29 4.506,30 6.368,31 4.408,32 5.324,33 5.564,34 4.266,35 4.481,36 6.387,37 4.364,38 5.325,39 5.576,40 4.107,41 4.462,42 6.246,43 4.311,44 5.323,45 5.598,46 3.966,47 4.401,48 6.187,49 4.22,50 5.231,51 5.516,52 3.85,53 4.291,54 6.07,55 4.106,56 0.065,57 1.107,58 17.791,59 7.924,60 12.491,61 10.392,62 0.152,63 1.836,64 32.767,65 13.565,66 27.33,67 18.569,68 0.639,69 2.34,70 49.447,71 17.582,72 90.69,73 24.997,74 0.727,75 2.325,76 49.851,77 16.846,78 88.361,79 24.027,80 0.779,81 2.235,82 47.885,83 16.772,84 120.206,85 24.037,86 0.532,87 2.2,88 47.82,89 17.518,90 89.633,91 24.946,92 0.6,93 2.132,94 48.526,95 17.625,96 96.42,97 25.491,98 0.582,99 1.925,100 44.57,101 16.003,102 91.182,103 23.291,104 17,105 61,106 0.222,107 0.54,108 0.677,109 0.792,110 0.847,111 0.878,112 3.74,113 0.996,114 -3.82,115 -3.78,116 -3.59,121 41.3,123 12,127 2,137 1,140 1,144 6,145 3,146 4,148 2,159 1,160 1,176 16,180 9,183 1,185 6,187 17,191 1,192 7,195 1,196 1,197 8,200 13,205 1,206 4,209 2,211 7,214 13,218 1,219 4,222 3,224 7,227 16,232 4,235 1,237 4,239 17,244 4,247 1,248 1,249 2,251 16,256 4,259 1,260 1,261 2,264 14,269 4,274 3,277 14,281 3626,282 28.087,283 28.087,284 28.087,285 28.087,286 28.087,287 25.579,288 27.248,289 17.136,290 28.382,291 22.27,292 22.27,293 22.27,294 22.27,295 22.27,296 18.227,297 29.494,298 8.242,299 22.776,300 4.862,301 2.772,302 1.868,303 1.113,304 0.75,305 0.55,306 4.449,312 1,313 1767,314 4.528,318 611.943,322 620.418,325 2.924,326 47.628,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 88.5,338 803,339 4.64,340 3.697,341 6.829,342 4.207,343 3.226,344 4.564,345 1.058,346 11.348,347 3.162,348 4.502,349 3.473,350 6.559,351 4.12,352 3.143,353 4.162,354 0.86,355 10.383,356 3.076,357 4.093,358 3.361,359 5.992,360 3.692,361 2.72,362 3.523,363 0.4,364 8.457,365 2.636,366 3.914,367 3.041,368 5.982,369 3.524,370 2.532,371 3.437,373 8.37,374 2.512,375 3.776,376 2.682,377 5.768,378 3.422,379 2.437,380 3.104,382 7.538,383 2.382,384 3.522,385 2.669,386 5.381,387 3.136,388 2.182,389 2.893,391 6.711,392 2.08,393 3.312,394 2.356,395 5.067,396 2.931,397 1.952,398 2.525,400 5.812,401 1.925,402 2.999,403 2.053,404 4.382,405 2.913,406 1.931,407 2.142,409 4.238,410 1.858,411 2.942,412 1.953,413 4.116,414 2.749,415 1.765,416 2.055,418 3.867,419 1.736,420 2.916,421 1.834,422 4.073,423 2.542,424 1.57,425 1.93,427 3.592,428 1.522,429 2.761,430 1.779,431 3.987,432 2.504,433 1.516,434 1.775,436 3.4,437 1.493,438 2.665,439 1.669,440 3.887,441 2.379,442 1.389,443 1.657,445 3.329,446 1.368,447 2.593,448 1.524,449 3.711,450 2.345,451 1.347,452 1.589,454 3.221,455 1.343,456 2.49,457 1.44,458 3.594,459 2.242,460 1.252,461 1.488,463 2.902,464 1.24,465 2.43,466 1.35,467 3.572,468 2.21,469 1.247,470 1.399,472 2.854,473 1.188,474 19.367,475 0.472,476 0.836,477 0.02,478 48,479 1.171,480 22.5,481 0.549,482 25.5,483 0.622,484 42.788,485 1.044,486 45.433,487 0.568,488 37.052,489 0.904,490 8.515,491 0.208,492 11.493,493 0.28,494 0.069,496 0.31,501 0.826,502 1.198,503 0.87,504 1.077,505 0.699,506 0.992,507 0.658,508 1.274,509 0.904,510 1.201,511 0.504,512 1.104,513 0.776,514 1.031,515 0.823,516 0.946,517 0.666,518 0.896,519 0.97,520 1.014,521 0.977,522 0.961,523 0.934,524 0.959,525 0.753,526 1.008,527 0.981,528 1.006,529 0.661,530 1.017,531 0.798,532 1.06,533 1.065,534 1.1,535 0.76,536 1.118,537 0.672,538 0.984,539 1.001,540 1.038,541 0.713,542 1.067,543 0.644,544 0.909,545 0.952,546 0.966,547 0.654,548 1.001,549 6,550 0.153,551 4.222,552 2.438,553 2.689,554 1.014,555 0.644,556 0.37,557 0.238,558 0.188,559 38911,560 94980,561 2.105,562 48.8,563 18,564 11,567 4,568 2,569 4,572 1.793,573 2,574 4.128,575 1.362,582 116.794,583 1.46,584 3.55,585 4.454,586 5.209,587 5.572,588 5.772,589 3.509,590 4.705,591 5.34,592 4.436,593 3637.32,594 9.347,595 76347,600 505.754,601 1.282,602 5.302,603 0.133,604 0.005,605 0.069,606 0.037,607 0.046,608 0.019,609 0.014,610 0.01,611 0.007,612 0.006,613 0.346,614 0.17,615 0.63,616 0.458,617 244.983,618 -0.068,619 0.01,620 0.028,621 0.054,622 -0.037,623 0.056,624 0.045,625 -0.15,626 0.012,627 -0.125,628 0.083,629 -0.071,630 0.137,631 -0.017,632 0.156,633 0.045,634 0.14,635 0.095,636 0.043,637 0.012,638 0.018,639 0.005,640 0.015,641 0.01,642 0.149,643 0.01,644 -0.003,645 -0.026,646 0.207,647 -0.032,648 -0.002,649 -0.076,650 -0.102,651 -0.106,652 0.041,653 -0.116,654 0.061,655 -0.042,656 -0.036,657 -0.056,658 0.056,659 -0.061,660 0.079,661 0.021,662 0.017,663 0.008,664 0.076,665 0.004,666 2.134,667 5.415,668 0.585,669 54.038,670 0.998,671 1.125,672 2.587,673 6.69,674 0.65,675 3.829,676 4.127,677 4.407,678 4.673,679 4.956,680 5.024,681 5.112,682 5.176,683 5.209,684 5.017,685 11.925,686 0.614,687 557.75,688 3.829,689 5.361,690 6.209,691 7.079,692 7.951,693 8.833,694 9.716,695 10.605,696 11.494,697 12.388,698 3.8,703 1,705 1,708 1,714 2,715 6,716 1,720 7,722 17,727 1,734 1,738 2,739 1,741 80,743 20,744 2,745 45,747 84,748 33,749 15,750 6,751 6,752 4,756 5,757 9,767 4,770 12,772 19,773 14,777 3,782 2,784 1,786 3,793 39,794 8,795 4,796 8,802 3,808 0.4,809 5,822 1,829 5,833 3,843 1,849 2,859 2,868 41,875 2,876 14,877 2,878 1,893 6.3,895 2,896 2,898 1,901 20.5,902 13.933,903 9.139,904 5.492,907 3.688,908 1.428,909 0.961,910 10.05,911 12.307,912 4.052,913 4.615,914 5.203,915 5.771,916 6.365,917 6.663,918 6.987,919 7.288,920 7.559,921 7.364,922 1,923 66,924 15.326,926 6.635,927 0.026,929 7.756,931 29.625,933 24.9,936 2.256,937 92.5,941 411.989,942 137.886,943 52.807,945 146.656,948 137.886,949 558.645,950 52.807,952 52.637,953 66.334,954 185.534,955 32.845,957 411.989,959 411.989,960 190.693,961 146.656,964 364.904,965 193.741,968 57.537,969 83.64,970 49.516,972 411.989,973 199.463,974 137.886,977 411.989,978 71.553,979 66.334,980 36.022,981 163.442,982 411.989,983 199.463,984 137.886,986 0.57,987 0.334,988 0.183,989 0.107,990 27,991 12,992 0.155,993 13,994 3,995 1.25,996 5.364,997 380.516,998 0.25,999 24,1000 215.66,1005 29.253,1006 14.086,1007 7.343,1008 2.339,1009 199.463,1010 10.738,1011 4.931,1015 3.348,1017 121.388,1018 749.338,1019 56.5,1024 24.667,1026 1.108,1028 -1.031,1031 79.847,1032 90.016,1034 0.231,1035 0.562,1036 0.704,1037 0.824,1038 0.881,1039 0.913,1040 5.29,1041 1.931,1042 6.172,1043 5.812,1044 4.812,1045 5.303,1046 1.617,1047 6.973,1048 4.766,1049 6.473,1050 1.765,1051 7.72,1052 4.238,1053 4.29,1054 5.147,1056 7.861,1057 4.221,1058 7.777,1059 1.57,1060 9.377,1061 3.867,1062 6.382,1063 7.502,1064 1.538,1065 11.01,1066 6.292,1067 9.121,1068 1.516,1069 11.1,1070 3.592,1071 6.735,1072 8.224,1074 12.77,1075 6.621,1076 10.504,1077 1.389,1078 12.867,1079 3.4,1080 8.257,1081 10.055,1082 1.532,1083 15.427,1084 8.126,1085 11.915,1086 1.347,1087 14.664,1088 3.329,1089 9.034,1090 11.178,1092 17.545,1093 8.88,1094 13.347,1095 1.252,1096 16.481,1097 3.221,1098 10.325,1099 12.805,1100 1.557,1101 20.034,1102 10.153,1103 3.226,1104 1.247,1105 18.313,1106 2.902,1107 11.305,1108 14.12,1110 22.309,1111 11.111,1112 3.143,1113 11.348,1114 20.157,1115 2.854,1116 12.504,1117 15.665,1118 1.603,1119 24.741,1120 12.291,1121 2.72,1122 10.383,1123 22.009,1124 4.564,1125 13.578,1126 17.073,1128 27.087,1129 13.343,1130 2.532,1131 8.457,1132 23.87,1133 4.162,1134 14.743,1135 18.586,1136 1.663,1137 29.5,1138 14.489,1139 2.437,1140 8.37,1141 25.736,1142 3.523,1143 15.86,1144 20.04,1146 31.88,1147 15.586,1148 2.182,1149 7.538,1150 27.608,1151 3.437,1152 17.015,1153 21.543,1154 1.734,1155 34.29,1156 16.721,1157 1.952,1158 6.711,1159 29.484,1160 3.104,1161 18.153,1162 23.022,1164 36.686,1165 17.838,1166 35919,1167 56715,1168 30.512,1169 51.995,1170 66.281,1171 68.616,1172 67.527,1173 65.929,1174 65.885,1175 82.506,1176 4.637,1177 184.278,1178 64.35,1179 5.621,1180 5.697,1181 6.774,1182 5.304,1183 5.226,1184 7.564,1185 2.117,1186 18.879,1187 5.162,1188 18.723,1189 1.473,1190 1.525,1191 1.501,1192 1.465,1193 1.464,1194 1.833,1195 0.103,1196 4.095,1197 1.43,1198 4.117,1199 4.148,1200 4.077,1201 4.043,1202 7.435,1203 4.048,1204 3.995,1205 3.997,1206 3.968,1207 3.894,1208 7.423,1209 3.91,1210 3.809,1211 3.871,1212 3.662,1213 3.689,1214 6.53,1215 3.671,1216 3.732,1217 3.781,1218 3.618,1219 3.649,1220 6.402,1221 3.635,1222 3.694,1223 3.756,1224 3.589,1225 3.538,1226 4.973,1227 3.537,1228 3.593,1229 3.634,1230 3.47,1231 3.444,1232 4.762,1233 3.452,1234 3.456,1235 3.514,1236 3.316,1237 3.291,1238 4.413,1239 3.283,1240 3.307,1241 3.37,1242 3.191,1243 3.154,1244 4.275,1245 3.146,1246 0.103,1247 0.082,1248 0.152,1249 0.093,1250 0.072,1251 4.64,1252 0.101,1253 3.697,1254 0.024,1255 6.829,1256 0.252,1257 4.207,1258 0.07,1259 3.226,1260 4.564,1261 1.058,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.44,1269 2.163,1270 1.922,1271 1.919,1272 2.061,1273 2.044,1274 1.421,1275 2.023,1276 1.815,1277 1.754,1278 1.977,1279 1.972,1280 1.286,1281 2.001,1282 1.754,1283 1.709,1284 1.951,1285 1.876,1286 1.15,1287 1.904,1288 1.688,1289 1.624,1290 1.938,1291 1.871,1292 1.087,1293 1.896,1294 1.543,1295 1.512,1296 1.772,1297 1.748,1298 1.064,1299 1.753,1300 1.442,1301 1.384,1302 1.612,1303 1.634,1304 0.825,1305 1.633,1306 1.289,1307 1.229,1308 1.531,1309 1.499,1310 0.753,1311 1.512,1312 4.511,1314 5.814,1316 7.322,1318 8.939,1320 10.621,1327 19.223,1328 15.159,1329 6.55,1330 5.469,1340 49.121,1341 116.794,1342 284.013,1343 356.296,1344 416.735,1345 445.754,1346 461.754,1347 100.065,1348 8.619,1349 124.69,1350 124.69,1351 30,1352 12.915,1353 4.392,1354 3.644,1355 67.459,1356 310,1357 223,1358 0.102,1359 298.513,1360 532.87,1361 720.133,1362 106652,1364 28.606,1365 0.698,1366 0.573,1367 28.606,1368 23.507,1369 20.008,1370 0.445,1371 0.332,1372 14.793,1373 19.424,1374 14.562,1375 12.064,1376 20.008,1377 14.935,1378 17.465,1379 0.286,1380 0.18,1381 17.465,1382 10.959,1383 14.799,1384 0.183,1385 0.098,1386 14.799,1387 7.908,1388 12.125,1389 0.114,1390 0.054,1391 12.125,1392 5.679,1393 10.427,1394 0.074,1395 0.03,1396 10.427,1397 4.163,1398 0.174,1399 124.491,1400 0.181,1401 38.443,1402 0.245,1403 212,1404 585.817,1405 230.228,1406 563.386,1407 768.32,1408 526,1409 248,1410 565.803,1411 266.896,1412 568.278,1413 837.73,1414 539,1415 8.187}
{0 CHEMBL2019053,1 1.544,2 20.19,3 7.499,4 56.24,5 165.958,6 7.402,7 0.37,8 4.465,9 4.577,10 4.011,11 4.016,12 5.526,13 3.983,14 5.029,15 5.198,16 4.382,17 4.431,18 6.057,19 4.365,20 5.368,21 5.597,22 4.496,23 4.572,24 6.413,25 4.483,26 5.365,27 5.597,28 4.422,29 4.524,30 6.396,31 4.428,32 5.327,33 5.564,34 4.343,35 4.5,36 6.401,37 4.385,38 5.33,39 5.575,40 4.246,41 4.487,42 6.275,43 4.341,44 5.332,45 5.597,46 4.129,47 4.443,48 6.228,49 4.265,50 5.244,51 5.514,52 3.992,53 4.34,54 6.129,55 4.154,56 0.07,57 1.096,58 16.958,59 7.854,60 12.85,61 10.109,62 0.161,63 1.819,64 32.425,65 13.671,66 28.674,67 18.341,68 0.695,69 2.321,70 52.339,71 18.169,72 95.598,73 25.109,74 0.807,75 2.31,76 52.097,77 17.281,78 95.266,79 24.044,80 0.807,81 2.227,82 48.914,83 17.178,84 122.118,85 24.068,86 0.601,87 2.182,88 50.182,89 17.963,90 94.511,91 25.051,92 0.678,93 2.105,94 54.21,95 18.506,96 104.478,97 25.894,98 0.695,99 1.891,100 52.661,101 17.034,102 102.98,103 23.802,104 26,105 63,106 0.235,107 0.555,108 0.688,109 0.796,110 0.847,111 0.878,112 3.764,113 1.005,114 -4,115 -3.95,116 -3.74,121 41.3,123 12,127 2,137 1,140 1,144 5,145 3,146 5,148 2,159 1,160 1,176 14,180 9,183 1,185 6,187 18,191 1,192 6,195 1,196 1,197 8,200 13,205 1,206 5,209 2,211 7,214 14,218 1,219 4,222 3,224 6,227 14,232 4,235 1,237 5,239 17,244 4,247 1,248 1,249 2,251 16,256 4,259 1,260 1,261 2,264 15,269 4,274 3,277 14,281 3860,282 28.534,283 28.534,284 28.534,285 28.534,286 28.534,287 26.002,288 28.849,289 17.272,290 28.966,291 22.753,292 22.753,293 22.753,294 22.753,295 22.753,296 18.639,297 30.135,298 8.322,299 23.525,300 4.778,301 2.671,302 1.794,303 1.088,304 0.75,305 0.55,306 4.47,308 1,312 1,313 1859,314 4.583,318 627.403,322 635.35,325 2.878,326 51.056,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 90.833,338 848,339 4.651,340 3.697,341 6.833,342 4.214,343 3.235,344 4.582,345 1.058,346 11.364,347 3.165,348 4.502,349 3.473,350 6.559,351 4.12,352 3.143,353 4.162,354 0.86,355 10.383,356 3.076,357 4.093,358 3.373,359 6.004,360 3.692,361 2.72,362 3.534,363 0.4,364 8.477,365 2.636,366 3.99,367 3.041,368 5.992,369 3.58,370 2.61,371 3.523,373 8.457,374 2.532,375 3.776,376 2.943,377 5.768,378 3.422,379 2.437,380 3.104,382 7.538,383 2.382,384 3.584,385 2.682,386 5.427,387 3.193,388 2.252,389 2.961,391 6.886,392 2.104,393 3.365,394 2.562,395 5.067,396 2.936,397 1.988,398 2.699,400 5.812,401 1.927,402 3.312,403 2.272,404 4.899,405 2.913,406 1.951,407 2.525,409 5.573,410 1.858,411 2.999,412 2.053,413 4.382,414 2.878,415 1.927,416 2.055,418 4.238,419 1.739,420 2.921,421 1.953,422 4.121,423 2.748,424 1.764,425 1.932,427 3.867,428 1.701,429 2.77,430 1.834,431 4.073,432 2.536,433 1.566,434 1.794,436 3.591,437 1.512,438 2.682,439 1.779,440 3.984,441 2.434,442 1.446,443 1.702,445 3.416,446 1.421,447 2.626,448 1.653,449 3.883,450 2.377,451 1.386,452 1.6,454 3.339,455 1.366,456 2.491,457 1.465,458 3.697,459 2.249,460 1.261,461 1.49,463 3.118,464 1.246,465 2.431,466 1.433,467 3.585,468 2.213,469 1.25,470 1.399,472 2.867,473 1.191,474 20.081,475 0.478,476 0.942,477 0.022,478 48.75,479 1.161,480 22.5,481 0.536,482 26.25,483 0.625,484 45.437,485 1.082,486 46.519,487 0.581,488 37.871,489 0.902,490 8.588,491 0.204,492 11.814,493 0.281,494 0.102,496 0.324,501 0.797,502 1.196,503 0.74,504 1.017,505 0.688,506 0.957,507 0.647,508 1.271,509 0.773,510 1.134,511 0.494,512 1.065,513 0.79,514 1.031,515 0.815,516 0.933,517 0.68,518 0.893,519 0.921,520 1.02,521 0.868,522 0.945,523 0.911,524 0.95,525 0.723,526 1.007,527 0.817,528 0.952,529 0.649,530 0.986,531 0.755,532 1.062,533 0.898,534 1.052,535 0.742,536 1.085,537 0.736,538 0.98,539 1.044,540 1.032,541 0.75,542 1.065,543 0.784,544 0.91,545 1.211,546 1.037,547 0.738,548 1.054,549 7,550 0.169,551 4.444,552 2.625,553 2.88,554 1.153,555 0.807,556 0.448,557 0.283,558 0.208,559 41080,560 110145,561 2.088,562 47.5,563 18,564 10,567 4,568 2,569 4,572 1.799,573 1.969,574 4.17,575 1.368,582 123.503,583 1.544,584 3.651,585 4.527,586 5.234,587 5.572,588 5.772,589 3.516,590 4.869,591 5.374,592 4.46,593 3839.81,594 9.418,595 81861.6,600 505.754,601 1.351,602 5.33,603 0.152,604 0.005,605 0.071,606 0.039,607 0.047,608 0.021,609 0.017,610 0.011,611 0.008,612 0.006,613 0.376,614 0.17,615 0.63,616 0.494,617 252.548,618 -0.071,619 0.011,620 0.015,621 0.053,622 -0.039,623 0.054,624 0.04,625 -0.147,626 0.032,627 -0.1,628 0.091,629 -0.055,630 0.109,631 -0.015,632 0.111,633 0.047,634 0.126,635 0.094,636 0.052,637 0.009,638 0.033,639 0.006,640 0.021,641 0.014,642 0.138,643 0.016,644 0.036,645 0.006,646 0.2,647 -0.007,648 0.028,649 -0.074,650 -0.012,651 -0.072,652 0.053,653 -0.084,654 0.039,655 -0.038,656 -0.028,657 -0.039,658 0.041,659 -0.051,660 0.024,661 0.016,662 -0.08,663 -0.031,664 0.038,665 -0.035,666 2.14,667 5.423,668 0.571,669 55.624,670 1.002,671 1.124,672 2.77,673 7.672,674 0.661,675 3.85,676 4.159,677 4.431,678 4.7,679 4.99,680 5.081,681 5.17,682 5.252,683 5.283,684 5.106,685 12.082,686 0.624,687 592.19,688 3.85,689 5.389,690 6.236,691 7.111,692 7.982,693 8.868,694 9.752,695 10.644,696 11.535,697 12.432,698 3.8,703 1,705 1,708 1,714 2,715 5,716 1,720 8,722 17,727 1,734 1,738 2,739 1,740 1,741 80,743 20,744 2,745 46,747 84,748 33,749 15,750 7,751 5,752 4,756 5,757 9,758 1,767 4,770 12,772 19,773 14,777 3,782 2,784 1,786 3,793 38,794 8,795 4,796 9,797 1,802 3,808 0.4,809 5,822 1,829 5,833 3,843 1,849 2,859 2,865 1,868 42,875 2,876 14,877 2,878 1,892 1,893 6.3,895 2,896 2,898 1,901 21.333,902 13.993,903 9.306,904 5.472,907 3.694,908 1.425,909 0.961,910 10.511,911 12.387,912 4.069,913 4.644,914 5.227,915 5.802,916 6.408,917 6.738,918 7.061,919 7.387,920 7.648,921 7.485,922 0.923,923 68,924 15.686,926 6.807,927 0.026,929 7.792,931 30.186,933 25.377,936 2.292,937 96.278,941 400.217,942 131.911,943 52.807,944 39.149,945 146.656,948 131.911,949 586.023,950 52.807,952 52.637,953 56.857,954 185.534,955 36.346,957 400.217,958 39.149,959 400.217,960 184.718,961 146.656,962 39.149,964 353.133,965 193.741,968 57.537,969 77.664,970 88.665,972 400.217,973 199.463,974 171.059,977 400.217,978 75.053,979 56.857,980 36.022,981 202.591,982 400.217,983 199.463,984 171.059,986 0.574,987 0.333,988 0.18,989 0.107,990 28,991 13,992 0.155,993 13,994 3,995 1.25,996 5.408,997 394.422,998 0.25,999 24,1000 224.477,1005 30.495,1006 14.477,1007 7.718,1008 2.146,1009 199.463,1010 8.265,1011 4.907,1015 3.908,1017 121.388,1018 770.74,1019 57.5,1024 24.682,1026 1.104,1028 -1.046,1031 80.17,1032 89.96,1034 0.244,1035 0.577,1036 0.716,1037 0.828,1038 0.881,1039 0.913,1040 5.314,1041 1.951,1042 6.209,1043 5.812,1044 4.844,1045 5.333,1046 1.617,1047 7.013,1048 4.78,1049 6.506,1050 1.927,1051 7.761,1052 5.573,1053 4.369,1054 5.223,1056 7.901,1057 4.255,1058 7.816,1059 1.764,1060 9.419,1061 4.238,1062 6.422,1063 7.541,1064 1.538,1065 11.043,1066 6.306,1067 9.164,1068 1.566,1069 11.141,1070 3.867,1071 6.792,1072 8.281,1074 12.791,1075 6.641,1076 10.549,1077 1.446,1078 12.904,1079 3.591,1080 8.296,1081 10.095,1082 1.532,1083 15.449,1084 8.138,1085 11.96,1086 1.386,1087 14.697,1088 3.416,1089 9.079,1090 11.225,1092 17.56,1093 8.894,1094 13.391,1095 1.261,1096 16.51,1097 3.339,1098 10.361,1099 12.845,1100 1.557,1101 20.051,1102 10.163,1103 3.235,1104 1.25,1105 18.338,1106 3.118,1107 11.342,1108 14.163,1110 22.324,1111 11.122,1112 3.143,1113 11.364,1114 20.179,1115 2.867,1116 12.537,1117 15.706,1118 1.603,1119 24.756,1120 12.301,1121 2.72,1122 10.383,1123 22.029,1124 4.582,1125 13.611,1126 17.117,1128 27.102,1129 13.353,1130 2.61,1131 8.477,1132 23.887,1133 4.162,1134 14.774,1135 18.631,1136 1.663,1137 29.516,1138 14.499,1139 2.437,1140 8.457,1141 25.751,1142 3.534,1143 15.892,1144 20.088,1146 31.897,1147 15.596,1148 2.252,1149 7.538,1150 27.622,1151 3.523,1152 17.047,1153 21.593,1154 1.734,1155 34.307,1156 16.731,1157 1.988,1158 6.886,1159 29.497,1160 3.104,1161 18.185,1162 23.075,1164 36.705,1165 17.848,1166 38063,1167 62813,1168 30.917,1169 52.853,1170 67.885,1171 70.472,1172 69.384,1173 67.744,1174 67.496,1175 84.287,1176 4.637,1177 190.48,1178 65.137,1179 5.632,1180 5.697,1181 6.778,1182 5.311,1183 5.235,1184 7.582,1185 2.117,1186 18.902,1187 5.165,1188 21.373,1189 1.476,1190 1.532,1191 1.508,1192 1.473,1193 1.467,1194 1.832,1195 0.101,1196 4.141,1197 1.416,1198 4.119,1199 4.148,1200 4.128,1201 4.049,1202 7.435,1203 4.052,1204 3.995,1205 3.997,1206 3.97,1207 3.894,1208 7.423,1209 3.91,1210 3.809,1211 3.871,1212 3.778,1213 3.69,1214 6.53,1215 3.672,1216 3.736,1217 3.78,1218 3.66,1219 3.659,1220 6.402,1221 3.643,1222 3.694,1223 3.756,1224 3.59,1225 3.539,1226 5.038,1227 3.537,1228 3.593,1229 3.634,1230 3.476,1231 3.444,1232 4.763,1233 3.452,1234 3.457,1235 3.514,1236 3.398,1237 3.294,1238 4.685,1239 3.286,1240 3.311,1241 3.369,1242 3.29,1243 3.171,1244 4.275,1245 3.161,1246 0.101,1247 0.08,1248 0.149,1249 0.092,1250 0.07,1251 4.651,1252 0.1,1253 3.697,1254 0.023,1255 6.833,1256 0.247,1257 4.214,1258 0.069,1259 3.235,1260 4.582,1261 1.058,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.149,1267 2.158,1268 1.44,1269 2.159,1270 1.922,1271 1.919,1272 2.061,1273 2.044,1274 1.421,1275 2.023,1276 1.815,1277 1.754,1278 1.977,1279 1.972,1280 1.286,1281 2.001,1282 1.75,1283 1.709,1284 1.944,1285 1.876,1286 1.15,1287 1.901,1288 1.688,1289 1.624,1290 1.922,1291 1.861,1292 1.087,1293 1.888,1294 1.543,1295 1.512,1296 1.77,1297 1.747,1298 1.064,1299 1.752,1300 1.442,1301 1.384,1302 1.61,1303 1.633,1304 0.824,1305 1.632,1306 1.285,1307 1.23,1308 1.524,1309 1.495,1310 0.752,1311 1.508,1312 4.533,1314 5.844,1316 7.354,1318 8.973,1320 10.657,1323 6.239,1327 19.23,1328 14.852,1329 6.522,1330 5.468,1340 49.948,1341 123.503,1342 292.055,1343 362.196,1344 418.735,1345 445.754,1346 461.754,1347 106.374,1348 8.692,1349 124.69,1350 124.69,1351 30,1352 12.958,1353 4.392,1354 3.644,1355 69.99,1356 322,1357 236,1358 0.102,1359 306.846,1360 548.08,1361 740.465,1362 115749,1363 1.3,1364 29.476,1365 0.702,1366 0.585,1367 29.976,1368 24.564,1369 20.402,1370 0.444,1371 0.335,1372 14.923,1373 19.509,1374 14.655,1375 12.114,1376 20.691,1377 15.412,1378 18.099,1379 0.287,1380 0.183,1381 18.507,1382 11.54,1383 15.135,1384 0.182,1385 0.099,1386 15.397,1387 8.199,1388 12.389,1389 0.114,1390 0.054,1391 12.624,1392 5.871,1393 10.643,1394 0.073,1395 0.03,1396 10.875,1397 4.326,1398 0.174,1399 130.029,1400 0.18,1401 39.145,1402 0.246,1403 218,1404 620.02,1405 251.748,1406 625.544,1407 839.69,1408 582,1409 255,1410 592.666,1411 283.654,1412 604.927,1413 891.31,1414 573,1415 10.046}
{0 CHEMBL2022933,1 1.433,2 9.68,3 2.838,4 8.057,5 97.908,6 7.388,7 0.393,8 3.913,9 4.049,10 3.488,11 3.46,12 5.02,13 3.442,14 4.48,15 4.68,16 3.858,17 3.881,18 5.432,19 3.839,20 4.744,21 4.965,22 3.964,23 4.052,24 5.718,25 3.98,26 4.823,27 5.078,28 3.956,29 4.05,30 5.871,31 3.968,32 4.727,33 4.956,34 3.857,35 4.01,36 5.789,37 3.923,38 4.671,39 4.921,40 3.702,41 3.871,42 5.836,43 3.771,44 4.47,45 4.727,46 3.466,47 3.682,48 5.532,49 3.574,50 4.293,51 4.524,52 3.283,53 3.559,54 5.336,55 3.441,56 0.031,57 0.731,58 9.181,59 3.638,60 12.732,61 5.106,62 0.186,63 1.202,64 18.118,65 6.277,66 13.402,67 9.107,68 0.146,69 1.488,70 24.303,71 8.484,72 23.626,73 12.56,74 0.423,75 1.556,76 27.94,77 9.036,78 49.627,79 13.445,80 0.189,81 1.435,82 24.231,83 8.222,84 37.499,85 12.195,86 0.334,87 1.329,88 23.747,89 7.38,90 63.993,91 11.068,92 0.186,93 1.057,94 19.559,95 6.308,96 43.194,97 9.509,98 0.201,99 0.911,100 15.706,101 5.353,102 30.224,103 7.806,104 15,105 40,106 0.245,107 0.655,108 0.805,109 0.825,110 0.825,111 0.825,112 3.268,113 0.926,114 -3.72,115 -3.68,116 -3.5,121 42.2,123 3,127 5,142 1,143 1,144 1,145 3,146 1,148 1,149 1,151 1,160 1,165 1,166 1,167 1,176 4,179 2,180 12,185 2,187 3,189 2,192 5,197 1,200 1,203 1,205 4,206 8,208 3,209 3,211 2,214 6,216 2,219 1,227 5,231 2,232 9,234 2,235 2,237 1,239 4,241 1,244 1,249 1,251 2,253 1,255 2,256 2,261 2,264 6,266 2,269 1,277 1,281 756,282 17.326,283 17.326,284 17.326,285 17.326,286 17.326,287 15.738,288 23.455,289 10.168,290 17.666,291 13.741,292 13.741,293 13.741,294 13.741,295 13.741,296 11.092,297 26.566,298 4.672,299 14.343,300 4.059,301 1.661,302 0.789,303 0.667,304 0.667,305 0.667,306 3.966,310 1,311 1,312 1,313 529,314 2.739,317 55.355,318 150.914,322 166.274,325 1.747,326 22.96,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 53,338 242,339 4.681,340 4.075,341 6.814,342 4.236,343 3.267,344 4.618,345 2.035,346 11.241,347 3.17,348 4.277,349 3.402,350 6.494,351 3.929,352 2.976,353 3.803,354 1.102,355 10.154,356 2.837,357 3.82,358 3.174,359 5.976,360 3.519,361 2.57,362 3.188,363 0.8,364 8.396,365 2.442,366 3.601,367 2.908,368 5.293,369 3.191,370 2.245,371 2.908,372 0.461,373 6.644,374 2.121,375 3.557,376 2.561,377 5.259,378 3.04,379 2.083,380 2.46,382 6.406,383 1.993,384 3.412,385 2.263,386 5.196,387 3.024,388 2.073,389 2.441,391 6.139,392 1.959,393 3.135,394 2.18,395 4.343,396 2.445,397 1.477,398 1.8,400 3.966,401 1.427,402 2.97,403 1.875,404 3.855,405 2.108,406 1.127,407 1.664,409 2.726,410 1.103,411 2.671,412 1.595,413 3.43,414 2.045,415 1.072,416 1.292,418 1.965,419 1.041,420 2.125,421 1.309,422 3.26,423 1.686,424 0.735,425 0.897,427 1.834,428 0.697,429 1.883,430 0.885,431 3.127,432 1.591,433 0.618,434 0.821,436 1.372,437 0.6,438 1.618,439 0.744,440 3,441 1.511,442 0.568,443 0.618,445 1.084,446 0.534,447 1.548,448 0.519,449 2.845,450 1.088,451 0.143,452 0.188,454 0.3,455 0.135,456 1.311,457 0.214,458 2.657,459 0.759,460 -0.186,461 -0.276,463 -0.372,464 -0.176,465 0.955,466 -0.262,467 2.487,468 0.446,469 -0.502,470 -0.692,472 -1.031,473 -0.474,474 11.9,475 0.476,476 0.551,477 0.022,478 33,479 1.32,480 16,481 0.64,482 17,483 0.68,484 20.501,485 0.82,486 25.9,487 0.576,488 23.166,489 0.927,490 6.09,491 0.244,492 6.117,493 0.245,494 0.109,496 0.361,501 0.964,502 1.386,503 0.793,504 1.063,505 0.649,506 0.933,507 1.075,508 1.036,509 0.865,510 0.88,511 0.425,512 0.851,513 0.988,514 1.302,515 0.928,516 1.117,517 0.573,518 1.033,519 0.933,520 0.791,521 0.9,522 0.825,523 0.854,524 0.853,525 1.144,526 1.186,527 1.06,528 1.099,529 1.134,530 1.074,531 1.235,532 0.964,533 1.161,534 1.019,535 1.54,536 1.07,537 1.212,538 1.02,539 1.071,540 0.987,541 1.473,542 1.007,543 1.226,544 0.973,545 1.339,546 1.175,547 1.439,548 1.255,549 4.5,550 0.067,551 2.889,552 1.653,553 2.053,554 0.955,555 0.741,556 0.342,557 0.203,558 0.122,559 6697,560 16112,561 2.13,562 44.4,564 11,565 1,567 2,568 2,569 4,572 1.684,573 2,574 3.235,575 0.273,576 1,577 1,582 64.474,583 1.433,584 3.831,585 4.703,586 4.825,587 4.825,588 4.825,589 2.779,590 4.324,591 4.609,592 3.361,593 1008.2,594 7.995,595 11616.5,597 1,599 1,600 247.133,601 1.388,602 4.579,603 0.161,604 0.008,605 0.072,606 0.038,607 0.049,608 0.025,609 0.024,610 0.014,611 0.01,612 0.009,613 0.411,614 0.5,615 1,616 1.03,617 118.311,618 -0.054,619 -0.208,620 0.059,621 -0.048,622 0.047,623 0.008,624 -0.009,625 0.065,626 0.062,627 0.092,628 0.047,629 0.087,630 -0.033,631 -0.276,632 0.016,633 -0.132,634 0.062,635 -0.065,636 0.202,637 0.218,638 0.094,639 0.122,640 0.048,641 0.099,642 -0.147,643 -0.163,644 -0.108,645 -0.124,646 -0.157,647 -0.113,648 -0.041,649 0.063,650 -0.173,651 -0.09,652 -0.091,653 -0.138,654 -0.18,655 -0.04,656 -0.087,657 -0.023,658 -0.121,659 -0.039,660 -0.179,661 0.064,662 -0.389,663 -0.213,664 -0.239,665 -0.308,666 1.098,667 3.571,668 0.76,669 21.549,670 0.995,671 1.131,672 2.485,673 6.176,674 0.675,675 3.367,676 3.714,677 4.06,678 4.382,679 4.663,680 4.844,681 5.037,682 5.204,683 5.361,684 5.38,685 5.571,686 0.64,687 332.45,688 3.367,689 4.92,690 5.802,691 6.706,692 7.609,693 8.522,694 9.434,695 10.35,696 11.266,697 12.184,698 13.3,701 1,702 1,704 1,707 1,708 2,714 2,715 1,716 2,720 5,722 11,724 1,733 1,736 1,741 45,743 13,745 28,747 48,748 19,749 8,756 4,757 7,767 3,770 3,771 3,772 8,773 8,789 1,790 1,793 20,794 6,795 2,796 6,802 6,808 0.5,822 2,825 1,828 1,829 3,833 2,836 1,837 1,855 1,859 2,868 25,869 1,876 8,881 2,885 2,886 1,889 1,891 2,901 12.5,902 8.25,903 5.583,904 2.883,907 2.684,908 1.351,909 1.017,910 4.115,911 10.342,912 3.651,913 4.212,914 4.86,915 5.502,916 6.148,917 6.636,918 7.105,919 7.549,920 7.955,921 8.081,922 0.857,923 43,924 9.233,926 3.984,927 0.026,929 7.687,931 17.903,933 15.218,936 2.187,937 54.667,940 1,941 211.88,942 103.063,943 103.776,948 103.063,949 211.88,950 103.776,952 18.132,953 42.373,954 50.173,955 53.481,956 54.451,957 200.109,959 211.88,960 206.839,964 166.511,965 47.084,968 55.073,969 99.45,970 50.602,972 211.88,973 103.776,974 103.063,977 211.88,978 36.633,979 15.725,980 33.632,981 120.849,982 211.88,983 103.776,984 103.063,986 0.576,987 0.356,988 0.206,989 0.114,990 21,991 9,992 0.042,993 2,994 2,995 1.211,996 3.626,997 220.83,998 0.211,999 19,1000 112.096,1005 16.001,1006 6.429,1007 2.754,1008 1.406,1009 103.776,1010 1.846,1011 9.492,1015 4.012,1017 32.897,1018 418.719,1019 37.5,1031 44.796,1032 50.896,1034 0.261,1035 0.698,1036 0.856,1037 0.879,1038 0.879,1039 0.879,1040 4.933,1041 1.127,1042 5.796,1043 3.966,1044 4.394,1045 4.898,1046 2.559,1047 6.661,1048 4.309,1049 6.153,1050 1.072,1051 7.385,1052 2.726,1053 4.007,1054 4.796,1055 0.57,1056 7.642,1057 3.877,1058 7.479,1059 0.735,1060 9.074,1061 1.965,1062 6.033,1063 7.146,1064 3.642,1065 10.787,1066 5.867,1067 8.838,1068 0.618,1069 10.823,1070 1.834,1071 6.494,1072 7.927,1073 0.774,1074 12.577,1075 6.29,1076 10.23,1077 0.568,1078 12.609,1079 1.372,1080 7.967,1081 9.754,1082 4.981,1083 15.24,1084 7.729,1085 11.645,1086 0.143,1087 14.42,1088 1.084,1089 8.809,1090 10.934,1091 0.939,1092 17.368,1093 8.54,1094 13.079,1095 -0.186,1096 16.249,1097 0.3,1098 10.076,1099 12.569,1100 6.383,1101 19.864,1102 9.775,1103 3.267,1104 -0.502,1105 18.091,1106 -0.372,1107 11.094,1108 13.933,1109 1.102,1110 22.14,1111 10.764,1112 2.976,1113 11.241,1114 19.944,1115 -1.031,1116 12.287,1117 15.494,1118 7.798,1119 24.574,1120 11.927,1121 2.57,1122 10.154,1123 21.805,1124 4.618,1125 13.384,1126 16.945,1127 1.268,1128 26.918,1129 12.996,1130 2.245,1131 8.396,1132 23.673,1133 3.803,1134 14.553,1135 18.479,1136 9.218,1137 29.329,1138 14.135,1139 2.083,1140 6.644,1141 25.546,1142 3.188,1143 15.687,1144 19.969,1145 1.437,1146 31.704,1147 15.241,1148 2.073,1149 6.406,1150 27.425,1151 2.908,1152 16.85,1153 21.495,1154 10.638,1155 34.109,1156 16.376,1157 1.477,1158 6.139,1159 29.308,1160 2.46,1161 18.001,1162 23.004,1163 1.608,1164 36.499,1165 17.499,1166 6418,1167 10062,1168 18.898,1169 30.364,1170 43.775,1171 45.329,1172 43.521,1173 41.943,1174 41.907,1175 53.398,1176 8.794,1177 124.455,1178 40.122,1179 5.626,1180 6.075,1181 6.582,1182 5.31,1183 5.267,1184 7.618,1185 4.069,1186 18.789,1187 5.137,1188 10.926,1189 1.563,1190 1.619,1191 1.554,1192 1.498,1193 1.497,1194 1.907,1195 0.314,1196 4.445,1197 1.433,1198 4.114,1199 4.152,1200 4.088,1201 4.011,1202 6.82,1203 4.025,1204 3.842,1205 3.905,1206 3.752,1207 3.693,1208 5.43,1209 3.699,1210 3.706,1211 3.766,1212 3.595,1213 3.571,1214 5.16,1215 3.568,1216 3.463,1217 3.509,1218 3.396,1219 3.365,1220 4.838,1221 3.365,1222 3.279,1223 3.347,1224 3.177,1225 3.141,1226 4.426,1227 3.143,1228 3.129,1229 3.204,1230 3.059,1231 2.919,1232 4.217,1233 2.941,1234 2.921,1235 3.021,1236 2.807,1237 2.683,1238 3.976,1239 2.703,1240 2.869,1241 2.979,1242 2.679,1243 2.671,1244 3.766,1245 2.648,1246 0.167,1247 0.146,1248 0.243,1249 0.151,1250 0.117,1251 4.681,1252 0.165,1253 4.075,1254 0.073,1255 6.814,1256 0.401,1257 4.236,1258 0.113,1259 3.267,1260 4.618,1261 2.035,1262 11.241,1263 3.17,1264 2.038,1265 2.01,1266 2.099,1267 2.159,1268 1.343,1269 2.143,1270 1.738,1271 1.69,1272 1.877,1273 1.909,1274 1.211,1275 1.904,1276 1.577,1277 1.507,1278 1.86,1279 1.751,1280 1.089,1281 1.793,1282 1.491,1283 1.442,1284 1.671,1285 1.684,1286 0.932,1287 1.684,1288 1.369,1289 1.303,1290 1.602,1291 1.537,1292 0.757,1293 1.56,1294 1.224,1295 1.161,1296 1.451,1297 1.439,1298 0.632,1299 1.446,1300 1.059,1301 0.989,1302 1.272,1303 1.288,1304 0.314,1305 1.276,1306 0.829,1307 0.73,1308 1.126,1309 1.185,1310 0.104,1311 1.197,1312 4.043,1314 5.38,1315 2.398,1316 6.93,1317 4.443,1318 8.588,1319 6.293,1320 10.307,1326 6.444,1328 7.146,1333 4.355,1337 5.433,1338 9.571,1339 4.962,1340 28.816,1341 64.474,1342 172.379,1343 211.624,1344 217.133,1345 217.133,1346 217.133,1347 38.116,1348 7.658,1349 82.07,1350 82.07,1351 23,1352 12.694,1353 3.807,1354 3.392,1355 35.805,1356 86,1357 97,1358 0.219,1359 177.871,1360 308.26,1361 425.764,1362 20074,1364 17.389,1365 0.696,1366 0.565,1367 17.389,1368 14.125,1369 12.207,1370 0.436,1371 0.309,1372 8.531,1373 11.811,1374 8.353,1375 6.869,1376 12.207,1377 8.638,1378 10.759,1379 0.269,1380 0.166,1381 10.759,1382 6.652,1383 9.7,1384 0.17,1385 0.089,1386 9.7,1387 5.074,1388 8.453,1389 0.107,1390 0.048,1391 8.453,1392 3.757,1393 6.901,1394 0.066,1395 0.023,1396 6.901,1397 2.467,1398 0.333,1399 75.888,1400 0.23,1401 23.799,1402 0.631,1403 136,1404 347.538,1405 146.435,1406 350.798,1407 487.59,1408 328,1409 165,1410 366.817,1411 177.323,1412 376.825,1413 555.27,1414 354,1415 6.187}
{0 CHEMBL202661,1 1.45,2 15.6,3 6.75,4 45.556,5 143.95,6 7.193,7 0.538,8 4.296,9 4.426,10 3.838,11 3.888,12 5.274,13 3.837,14 4.867,15 5.05,16 4.197,17 4.314,18 5.793,19 4.225,20 5.176,21 5.42,22 4.285,23 4.447,24 6.035,25 4.327,26 5.171,27 5.409,28 4.269,29 4.411,30 6.074,31 4.286,32 5.158,33 5.407,34 4.116,35 4.378,36 5.996,37 4.228,38 5.159,39 5.416,40 4.048,41 4.359,42 5.967,43 4.186,44 5.14,45 5.408,46 3.929,47 4.284,48 5.985,49 4.092,50 5.023,51 5.305,52 3.724,53 4.141,54 5.802,55 3.948,56 0.062,57 0.973,58 14.796,59 6.394,60 7.919,61 8.886,62 0.187,63 1.624,64 28.254,65 11.438,66 20.896,67 16.134,68 0.318,69 2.045,70 42.903,71 15.26,72 39.177,73 21.717,74 0.47,75 2.025,76 44.053,77 14.51,78 50.402,79 20.749,80 0.411,81 1.963,82 43.586,83 14.843,84 44.411,85 20.99,86 0.347,87 1.887,88 45.649,89 15.77,90 41.663,91 22.115,92 0.488,93 1.779,94 46.889,95 15.886,96 56.838,97 22.107,98 0.324,99 1.585,100 40.281,101 13.97,102 43.462,103 19.632,104 5,105 53,106 0.227,107 0.552,108 0.732,109 0.87,110 0.903,111 0.903,112 3.588,113 1.018,114 -5.07,115 -4.97,116 -4.65,121 42.6,123 9,127 2,144 7,145 4,146 2,148 2,153 1,154 1,160 1,176 15,180 5,183 1,185 8,187 18,192 4,197 7,200 11,206 5,209 1,211 9,214 13,219 2,223 1,224 5,227 13,232 2,237 2,239 18,244 2,247 2,248 1,249 2,251 17,256 3,261 1,264 13,269 4,274 4,277 12,281 2301,282 24.311,283 24.311,284 24.311,285 24.311,286 24.311,287 21.667,288 21.661,289 14.759,290 24.624,291 19.307,292 19.307,293 19.307,294 19.307,295 19.307,296 15.188,297 20.29,298 7.024,299 19.848,300 4.637,301 2.561,302 1.417,303 0.533,304 0.324,305 0.324,306 4.301,308 1,312 1,313 1219,314 4.062,317 88.151,318 369.146,321 163.53,322 299.277,325 2.331,326 25.124,329 1,330 0.67,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.83,337 73.333,338 546,339 4.7,340 3.575,341 6.956,342 4.252,343 3.281,344 4.648,345 1.907,346 11.781,347 3.181,348 4.523,349 3.448,350 6.526,351 4.048,352 3.061,353 4.473,354 0.4,355 10.264,356 3.02,357 4.009,358 3.135,359 6.158,360 3.62,361 2.654,362 3.532,363 0.149,364 8.899,365 2.554,366 3.661,367 2.98,368 5.385,369 3.39,370 2.383,371 2.978,373 6.734,374 2.388,375 3.559,376 2.37,377 5.138,378 3.138,379 2.186,380 2.84,382 6.149,383 2.079,384 3.411,385 2.261,386 5.025,387 3.026,388 2.034,389 2.752,391 5.941,392 2.016,393 3.197,394 2.224,395 4.894,396 2.799,397 1.883,398 2.427,400 5.21,401 1.721,402 3.046,403 1.835,404 4.192,405 2.684,406 1.702,407 2.318,409 3.782,410 1.616,411 2.797,412 1.595,413 4.072,414 2.519,415 1.546,416 1.879,418 3.59,419 1.501,420 2.72,421 1.547,422 3.868,423 2.395,424 1.414,425 1.757,427 3.324,428 1.373,429 2.67,430 1.519,431 3.692,432 2.323,433 1.328,434 1.725,436 3.003,437 1.315,438 2.491,439 1.406,440 3.606,441 2.3,442 1.317,443 1.491,445 2.913,446 1.292,447 2.328,448 1.353,449 3.571,450 2.164,451 1.183,452 1.308,454 2.691,455 1.157,456 2.223,457 1.177,458 3.403,459 1.983,460 1.011,461 1.176,463 2.308,464 0.977,465 1.993,466 1.1,467 3.185,468 1.787,469 0.811,470 0.91,472 1.825,473 0.777,474 17.148,475 0.49,476 0.64,477 0.018,478 42,479 1.2,480 20,481 0.571,482 22,483 0.629,484 35.464,485 1.013,486 37.452,487 0.551,488 28.924,489 0.826,490 7.587,491 0.217,492 9.616,493 0.275,494 0.061,496 0.292,501 0.758,502 1.203,503 0.735,504 0.973,505 0.557,506 0.941,507 0.688,508 1.222,509 0.808,510 1.057,511 0.553,512 1.042,513 1.005,514 1.041,515 0.844,516 0.901,517 0.961,518 0.898,519 1.162,520 1.072,521 0.996,522 1.003,523 1.148,524 1.017,525 1.254,526 0.989,527 1.092,528 1.006,529 1.218,530 1.055,531 1.104,532 1.011,533 1.176,534 1.09,535 1.053,536 1.091,537 1.057,538 0.925,539 1.246,540 1.097,541 1.227,542 1.083,543 1.067,544 0.905,545 1.081,546 1.017,547 1.176,548 1.009,549 4.5,550 0.202,551 3.556,552 2.542,553 1.693,554 0.837,555 0.505,556 0.346,557 0.183,558 0.163,559 23380,560 52758,561 2.158,562 48.5,563 10,564 11,565 1,567 3,568 4,569 4,572 1.758,573 2.079,574 3.798,575 0.735,582 98.601,583 1.45,584 3.527,585 4.67,586 5.554,587 5.764,588 5.764,589 3.096,590 4.786,591 5.108,592 4.1,593 2439.53,594 8.911,595 42532.2,600 413.947,601 1.15,602 5.086,603 0.115,604 0.007,605 0.067,606 0.046,607 0.034,608 0.019,609 0.013,610 0.01,611 0.006,612 0.006,613 0.324,614 0.17,615 0.75,616 0.383,617 195.775,618 -0.04,619 -0.011,620 0.03,621 0.04,622 0.013,623 0.05,624 0.062,625 -0.115,626 0.004,627 -0.062,628 0.072,629 -0.054,630 -0.035,631 -0.025,632 0.078,633 0.071,634 -0.024,635 0.078,636 -0.004,637 -0.032,638 -0.013,639 -0.045,640 -0.047,641 -0.06,642 -0.141,643 0.025,644 -0.108,645 -0.041,646 -0.138,647 -0.09,648 -0.098,649 -0.053,650 -0.104,651 -0.089,652 -0.068,653 -0.098,654 0.058,655 -0.012,656 -0.106,657 -0.086,658 0.01,659 -0.083,660 -0.065,661 -0.001,662 -0.055,663 -0.023,664 -0.03,665 -0.011,666 1.529,667 5.278,668 0.657,669 39.793,670 0.99,671 1.123,672 3.839,673 14.738,674 0.673,675 3.689,676 3.989,677 4.29,678 4.585,679 4.804,680 4.868,681 4.97,682 5.056,683 5.063,684 4.963,685 9.499,686 0.625,687 489.11,688 3.689,689 5.22,690 6.075,691 6.952,692 7.827,693 8.715,694 9.599,695 10.493,696 11.383,697 12.281,698 5.9,703 1,705 1,706 1,708 1,714 4,715 8,716 1,717 1,720 5,722 21,734 1,740 1,741 68,743 22,744 2,745 39,747 72,748 29,749 17,750 5,751 7,756 5,757 9,758 1,767 4,770 9,772 18,773 11,777 1,782 1,786 1,793 33,794 4,795 3,796 6,797 1,802 4,808 0.4,809 1,822 1,824 1,828 1,829 4,832 1,833 2,843 1,859 2,865 1,868 35,876 11,877 2,892 1,893 1.5,896 1,901 16.833,902 11.926,903 7.778,904 4.608,907 4.131,908 1.495,909 1.02,910 7.901,911 12.47,912 3.942,913 4.551,914 5.189,915 5.824,916 6.362,917 6.681,918 7.038,919 7.373,920 7.504,921 7.428,922 0.9,923 55,924 13.01,926 5.537,927 0.026,929 7.522,931 25.73,933 21.821,936 2.022,937 70.778,941 353.133,942 131.927,943 69.593,944 39.149,945 25.145,948 131.927,949 417.427,950 69.593,952 45.033,953 75.381,954 64.646,955 39.461,956 13.915,957 341.362,958 39.149,959 353.133,960 201.52,961 25.145,962 39.149,964 306.049,965 72.229,968 66.719,969 100.004,970 73.945,972 353.133,973 94.737,974 171.076,977 353.133,978 56.546,979 75.381,980 52.807,981 81.079,982 353.133,983 94.737,984 171.076,986 0.569,987 0.337,988 0.193,989 0.105,990 25,991 10,992 0.139,993 10,994 3,995 1.261,996 4.831,997 318.435,998 0.261,999 23,1000 179.525,1005 24.15,1006 11.451,1007 5.652,1008 4.401,1009 77.952,1010 16.294,1011 4.899,1012 3.292,1015 5.739,1017 52.807,1018 618.947,1019 50.5,1024 12.278,1028 0.138,1031 67.312,1032 76.375,1034 0.238,1035 0.579,1036 0.767,1037 0.912,1038 0.947,1039 0.947,1040 5.166,1041 1.702,1042 6.033,1043 5.21,1044 4.673,1045 5.239,1046 1.997,1047 6.843,1048 4.617,1049 6.358,1050 1.546,1051 7.581,1052 3.782,1053 4.111,1054 5.085,1055 1.593,1056 7.769,1057 4.016,1058 7.665,1059 1.414,1060 9.24,1061 3.59,1062 6.244,1063 7.514,1064 2.907,1065 10.929,1066 6.143,1067 9.018,1068 1.328,1069 10.969,1070 3.324,1071 6.594,1072 8.286,1073 3.032,1074 12.773,1075 6.457,1076 10.413,1077 1.317,1078 12.745,1079 3.003,1080 8.135,1081 10.16,1082 4.038,1083 15.44,1084 7.989,1085 11.837,1086 1.183,1087 14.556,1088 2.913,1089 8.927,1090 11.352,1091 4.409,1092 17.641,1093 8.746,1094 13.284,1095 1.011,1096 16.39,1097 2.691,1098 10.229,1099 13.012,1100 5.25,1101 20.152,1102 10.033,1103 3.281,1104 0.811,1105 18.242,1106 2.308,1107 11.228,1108 14.391,1109 5.75,1110 22.495,1111 10.999,1112 3.061,1113 11.781,1114 20.108,1115 1.825,1116 12.437,1117 15.966,1118 6.501,1119 24.958,1120 12.188,1121 2.654,1122 10.264,1123 21.984,1124 4.648,1125 13.529,1126 17.425,1127 7.068,1128 27.36,1129 13.248,1130 2.383,1131 8.899,1132 23.869,1133 4.473,1134 14.706,1135 18.967,1136 7.771,1137 29.81,1138 14.402,1139 2.186,1140 6.734,1141 25.76,1142 3.532,1143 15.84,1144 20.462,1145 8.374,1146 32.238,1147 15.505,1148 2.034,1149 6.149,1150 27.657,1151 2.978,1152 17.008,1153 21.992,1154 9.051,1155 34.687,1156 16.646,1157 1.883,1158 5.941,1159 29.558,1160 2.84,1161 18.161,1162 23.502,1163 9.674,1164 37.129,1165 17.769,1166 21352,1167 32236,1168 26.929,1169 45.756,1170 57.452,1171 58.901,1172 58.845,1173 57.496,1174 57.334,1175 74.627,1176 4.912,1177 160.819,1178 55.596,1179 5.667,1180 5.575,1181 6.779,1182 5.293,1183 5.281,1184 7.648,1185 3.306,1186 19.336,1187 5.181,1188 11.393,1189 1.473,1190 1.51,1191 1.509,1192 1.474,1193 1.47,1194 1.914,1195 0.126,1196 4.124,1197 1.426,1198 4.141,1199 4.174,1200 4.151,1201 4.064,1202 7.429,1203 4.068,1204 4.1,1205 4.129,1206 4.076,1207 4.027,1208 5.046,1209 4.032,1210 3.776,1211 3.833,1212 3.73,1213 3.66,1214 4.967,1215 3.646,1216 3.735,1217 3.78,1218 3.649,1219 3.624,1220 4.636,1221 3.616,1222 3.598,1223 3.668,1224 3.46,1225 3.436,1226 4.318,1227 3.431,1228 3.455,1229 3.515,1230 3.353,1231 3.304,1232 4.302,1233 3.306,1234 3.32,1235 3.397,1236 3.333,1237 3.155,1238 4.198,1239 3.153,1240 3.222,1241 3.287,1242 3.181,1243 3.061,1244 4.122,1245 3.055,1246 0.121,1247 0.092,1248 0.178,1249 0.109,1250 0.084,1251 4.7,1252 0.119,1253 3.575,1254 0.049,1255 6.956,1256 0.302,1257 4.252,1258 0.082,1259 3.281,1260 4.648,1261 1.907,1262 11.781,1263 3.181,1264 2.069,1265 2.047,1266 2.145,1267 2.156,1268 1.437,1269 2.156,1270 1.94,1271 1.917,1272 2.041,1273 2.019,1274 1.34,1275 2.028,1276 1.761,1277 1.71,1278 1.996,1279 1.944,1280 1.233,1281 1.96,1282 1.751,1283 1.702,1284 1.927,1285 1.865,1286 1.148,1287 1.893,1288 1.651,1289 1.592,1290 1.854,1291 1.841,1292 1.04,1293 1.852,1294 1.471,1295 1.41,1296 1.705,1297 1.697,1298 0.963,1299 1.699,1300 1.297,1301 1.23,1302 1.52,1303 1.538,1304 0.755,1305 1.546,1306 1.215,1307 1.145,1308 1.464,1309 1.4,1310 0.627,1311 1.422,1312 4.369,1314 5.673,1315 2.398,1316 7.182,1317 4.727,1318 8.796,1319 6.823,1320 10.474,1323 6.579,1328 10.405,1329 6.754,1340 42.53,1341 98.601,1342 239.824,1343 317.567,1344 377.683,1345 391.947,1346 391.947,1347 58.442,1348 8.339,1349 69.81,1350 69.81,1351 29,1352 12.806,1353 4.524,1354 3.644,1355 52.847,1356 207,1357 178,1358 0.12,1359 262.214,1360 446.46,1361 631.561,1362 68837,1363 1.5,1364 24.037,1365 0.687,1366 0.597,1367 24.537,1368 20.886,1369 17.204,1370 0.441,1371 0.339,1372 12.803,1373 16.573,1374 12.533,1375 10.347,1376 17.492,1377 13.238,1378 14.927,1379 0.282,1380 0.186,1381 15.298,1382 9.857,1383 12.791,1384 0.178,1385 0.102,1386 13.128,1387 7.326,1388 11.087,1389 0.114,1390 0.056,1391 11.449,1392 5.455,1393 8.952,1394 0.074,1395 0.032,1396 9.218,1397 3.88,1398 0.2,1399 108.744,1400 0.193,1401 33.314,1402 0.301,1403 184,1404 434.583,1405 208.95,1406 461.072,1407 635.57,1408 434,1409 217,1410 453.668,1411 238.198,1412 471.515,1413 694.57,1414 449,1415 9.06}
{0 CHEMBL20339,1 1.701,2 10.091,3 2.964,4 8.784,5 87.341,6 7.63,7 0.478,8 3.825,9 3.944,10 3.455,11 3.336,12 4.988,13 3.284,14 4.313,15 4.51,16 3.736,17 3.66,18 5.307,19 3.573,20 4.475,21 4.705,22 3.819,23 3.719,24 5.424,25 3.619,26 4.523,27 4.744,28 3.779,29 3.744,30 5.565,31 3.615,32 4.617,33 4.888,34 3.617,35 3.659,36 5.562,37 3.506,38 4.356,39 4.604,40 3.471,41 3.486,42 5.315,43 3.347,44 4.068,45 4.236,46 3.491,47 3.35,48 5.23,49 3.297,50 4.227,51 4.399,52 3.368,53 3.339,54 5.467,55 3.293,56 0.134,57 0.63,58 9.502,59 3.979,60 15.504,61 5.1,62 0.222,63 0.961,64 19.415,65 6.198,66 16.254,67 8.254,68 0.326,69 1.047,70 25.406,71 7.168,72 22.112,73 9.864,74 0.342,75 1.077,76 23.857,77 7.762,78 37.689,79 10.452,80 0.479,81 1.027,82 30.806,83 8.553,84 47.279,85 10.955,86 0.445,87 0.841,88 25.666,89 6.909,90 32.199,91 8.416,92 0.171,93 0.725,94 14.934,95 4.428,96 17.725,97 5.513,98 0.351,99 0.733,100 17.645,101 4.557,102 43.859,103 5.567,104 24,105 29,106 0.302,107 0.606,108 0.724,109 0.779,110 0.791,111 0.791,112 3.145,113 1.074,114 -4.19,115 -4.13,116 -3.9,121 35.7,122 2,127 4,144 5,145 1,151 1,160 1,163 1,168 1,172 1,176 6,179 2,180 5,187 6,191 2,192 8,197 1,200 3,205 1,206 7,209 2,214 1,218 1,219 5,222 1,227 3,231 2,232 3,235 1,237 1,239 2,243 1,244 4,249 2,251 2,256 6,261 4,264 1,269 4,274 1,281 698,282 15.301,283 15.301,284 15.301,285 15.301,286 15.301,287 13.634,288 10.122,289 9.269,290 15.857,291 11.158,292 11.158,293 11.158,294 11.158,295 11.158,296 8.933,297 9.607,298 4.131,299 11.938,300 3.691,301 1.983,302 1.319,303 1.006,304 0.941,305 0.941,306 3.809,310 1,311 1,312 1,313 453,314 3.674,317 68.584,318 80.203,325 1.736,326 15.801,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 48,338 222,339 4.362,340 4.539,341 6.284,342 3.937,343 2.989,344 4.019,345 3.49,346 9.547,347 2.842,348 4.002,349 3.553,350 5.982,351 3.589,352 2.646,353 3.474,354 1.434,355 8.49,356 2.49,357 3.458,358 2.955,359 5.271,360 3.353,361 2.436,362 2.78,363 0.8,364 6.643,365 2.228,366 3.398,367 2.811,368 4.647,369 2.873,370 1.934,371 2.439,373 4.984,374 1.809,375 2.924,376 2.606,377 4.108,378 2.446,379 1.504,380 2.07,382 3.572,383 1.401,384 2.5,385 2.088,386 3.482,387 2.092,388 1.178,389 1.5,391 2.578,392 1.055,393 2.443,394 1.59,395 3.347,396 2,397 1,398 1.411,400 2.136,401 1,402 2.261,403 1.031,404 3.26,405 1.879,406 0.922,407 1.199,409 2.119,410 0.879,411 2.161,412 1,413 3.247,414 1.626,415 0.667,416 0.992,418 1.621,419 0.638,420 1.618,421 0.744,422 2.618,423 1.591,424 0.618,425 0.618,427 0.791,428 0.6,429 1.388,430 0.676,431 2.618,432 1.248,433 0.338,434 0.348,436 0.524,437 0.302,438 0.899,439 0.589,440 2.431,441 0.796,442 -0.144,443 -0.148,445 -0.2,446 -0.132,447 0.737,448 0.235,449 2.152,450 0.329,451 -0.645,452 -0.722,454 -1.292,455 -0.617,456 0.5,457 -0.463,458 1.669,459 0.186,460 -0.748,461 -0.948,463 -1.576,464 -0.709,465 0.363,466 -0.663,467 1.555,469 -1,470 -1.5,472 -2.347,473 -1,474 10.6,475 0.482,476 0.307,477 0.014,478 25.5,479 1.159,480 11.5,481 0.523,482 14,483 0.636,484 18.879,485 0.858,486 24.8,487 0.59,488 16.05,489 0.73,490 4.944,491 0.225,492 5.835,493 0.265,494 0.126,496 0.226,501 0.694,502 1.324,503 0.781,504 1.036,505 0.757,506 1.031,507 0.749,508 1.182,509 0.997,510 1.095,511 0.485,512 0.967,513 0.64,514 1.086,515 0.898,516 1.118,517 0.49,518 0.914,519 0.658,520 1.223,521 0.932,522 1.147,523 0.622,524 1.116,525 1.251,526 0.813,527 1.096,528 0.905,529 1.111,530 0.802,531 1.253,532 0.819,533 1.408,534 1.058,535 1.185,536 0.805,537 1.471,538 1.332,539 1.247,540 1.242,541 1.419,542 1.1,543 2.515,544 1.144,545 1.445,546 1.086,547 2.766,548 1.153,549 3.5,550 0.054,551 2.222,552 0.938,553 0.611,554 0.612,555 0.362,556 0.191,557 0.128,558 0.131,559 4916,560 13121,561 1.995,562 47.6,564 13,567 1,569 6,572 1.643,573 1.886,574 3.327,575 -0.22,576 1,577 1,579 1,582 71.435,583 1.701,584 3.41,585 4.074,586 4.386,587 4.452,588 4.452,589 2.754,590 3.88,591 4.428,592 3.493,593 806.881,594 7.598,595 9253.77,596 1,597 1,599 1,600 226.477,601 1.293,602 4.398,603 0.152,604 0.006,605 0.077,606 0.032,607 0.023,608 0.027,609 0.017,610 0.009,611 0.007,612 0.011,613 0.36,614 0.33,615 1,616 2,617 103.071,618 0.196,619 -0.106,620 0.075,621 0.016,622 0.112,623 -0.022,624 0.065,625 -0.04,626 0.048,627 -0.017,628 0.086,629 0.028,630 0.17,631 -0.033,632 0.184,633 -0.047,634 0.173,635 0.09,636 0.226,637 -0.196,638 0.066,639 -0.127,640 0.229,641 -0.126,642 -0.05,643 0.092,644 0.069,645 0.131,646 0.002,647 0.166,648 -0.008,649 0.175,650 -0.052,651 0.12,652 -0.056,653 0.179,654 -0.19,655 -0.155,656 -0.154,657 -0.194,658 -0.097,659 -0.172,660 -0.589,661 -0.096,662 -0.435,663 -0.175,664 -0.453,665 -0.301,666 1.425,667 3.165,668 0.5,669 20.455,670 1.005,671 1.135,672 2.958,673 8.753,674 0.659,675 3.178,676 3.401,677 3.638,678 3.784,679 3.85,680 3.912,681 3.989,682 3.932,683 3.871,684 3.85,685 6.109,686 0.617,687 320.46,688 3.178,689 4.654,690 5.468,691 6.297,692 7.13,693 7.97,694 8.812,695 9.659,696 10.507,697 11.358,698 9.5,701 1,707 1,708 2,715 5,716 2,718 1,720 3,722 11,741 42,743 12,744 1,745 23,747 43,748 15,749 8,750 1,751 5,752 1,756 2,757 2,763 2,772 9,773 6,777 1,785 1,786 1,789 1,790 1,793 20,794 6,795 1,796 7,797 1,802 4,808 1,809 2,828 1,829 1,855 1,857 1,859 2,860 1,862 1,864 2,868 22,875 1,876 4,879 1,881 1,893 4.8,898 2,901 11.667,902 8,903 5.306,904 2.726,907 2.092,908 1.33,909 0.906,910 6.745,911 8.434,912 3.418,913 3.907,914 4.438,915 4.939,916 5.3,917 5.573,918 5.899,919 6.113,920 6.345,921 6.487,922 0.857,923 29,924 8.063,926 3.191,927 0.026,929 7.727,931 15.435,933 11.771,936 2.227,937 49,940 1,941 223.651,942 116.123,943 52.754,945 52.54,947 32.22,948 83.904,949 276.191,950 52.754,951 17.65,952 7.217,953 47.381,954 42.524,955 74.425,957 255.87,959 223.651,960 136.658,961 52.54,962 32.22,964 155.352,965 123.166,968 46.259,969 51.689,970 36.382,971 32.22,972 223.651,973 105.294,974 116.123,977 223.651,978 51.092,979 68.156,981 102.169,982 223.651,983 105.294,984 116.123,986 0.548,987 0.334,988 0.17,989 0.077,990 11,991 5,992 0.186,993 8,995 1,996 3.488,997 154.524,999 11,1000 90.107,1001 1,1005 16.844,1006 8.81,1007 4.742,1009 105.294,1010 9.542,1011 8.216,1013 5.196,1015 1.593,1017 42.806,1018 445.068,1019 29.5,1027 3.279,1028 0.349,1031 42.207,1032 47.654,1034 0.315,1035 0.632,1036 0.755,1037 0.813,1038 0.826,1039 0.826,1040 4.593,1041 0.922,1042 5.398,1043 2.136,1044 4.078,1045 4.59,1046 3.416,1047 6.129,1048 3.954,1049 5.743,1050 0.667,1051 6.909,1052 2.119,1053 3.434,1054 4.086,1055 0.325,1056 6.934,1057 3.235,1058 7.007,1059 0.618,1060 8.523,1061 1.621,1062 5.587,1063 6.666,1064 5.726,1065 9.969,1066 5.346,1067 8.313,1068 0.338,1069 10.201,1070 0.791,1071 5.861,1072 7.105,1073 0.268,1074 11.632,1075 5.543,1076 9.655,1077 -0.144,1078 11.92,1079 0.524,1080 7.378,1081 9.042,1082 8.198,1083 14.146,1084 7.03,1085 11.022,1086 -0.645,1087 13.667,1088 -0.2,1089 8.064,1090 9.925,1091 0.188,1092 16.133,1093 7.644,1094 12.407,1095 -0.748,1096 15.432,1097 -1.292,1098 9.323,1099 11.582,1100 10.693,1101 18.475,1102 8.872,1103 2.989,1104 -1,1105 17.21,1106 -1.576,1107 10.207,1108 12.695,1109 0.125,1110 20.598,1111 9.69,1112 2.646,1113 9.547,1114 18.997,1115 -2.347,1116 11.356,1117 14.215,1118 13.192,1119 22.876,1120 10.805,1121 2.436,1122 8.49,1123 20.792,1124 4.019,1125 12.336,1126 15.45,1127 0.082,1128 25.06,1129 11.726,1130 1.934,1131 6.643,1132 22.592,1133 3.474,1134 13.44,1135 16.903,1136 15.692,1137 27.314,1138 12.792,1139 1.504,1140 4.984,1141 24.397,1142 2.78,1143 14.469,1144 18.205,1145 0.054,1146 29.528,1147 13.766,1148 1.178,1149 3.572,1150 26.205,1151 2.439,1152 15.555,1153 19.623,1154 18.192,1155 31.773,1156 14.812,1157 1,1158 2.578,1159 28.016,1160 2.07,1161 16.61,1162 20.962,1163 0.035,1164 34.002,1165 15.814,1166 5028,1167 8446,1168 15.197,1169 27.671,1170 32.815,1171 36.68,1172 34.248,1173 32.512,1174 32.469,1175 41.7,1176 11.449,1177 86.007,1178 30.487,1179 5.286,1180 6.539,1181 6.086,1182 5.059,1183 4.989,1184 7.019,1185 6.98,1186 15.947,1187 4.842,1188 10.498,1189 1.427,1190 1.595,1191 1.489,1192 1.414,1193 1.412,1194 1.813,1195 0.498,1196 3.739,1197 1.326,1198 3.973,1199 4.001,1200 4.019,1201 3.87,1202 6.543,1203 3.873,1204 3.76,1205 3.829,1206 3.833,1207 3.625,1208 5.29,1209 3.598,1210 3.694,1211 3.729,1212 3.603,1213 3.471,1214 4.715,1215 3.496,1216 3.353,1217 3.412,1218 3.463,1219 3.227,1220 4.321,1221 3.184,1222 3.306,1223 3.407,1224 3.04,1225 3.123,1226 4.062,1227 3.089,1228 3.124,1229 3.183,1230 2.995,1231 2.892,1232 3.892,1233 2.9,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 3.835,1239 2.715,1240 2.764,1241 2.808,1242 2.664,1243 2.552,1244 3.7,1245 2.563,1246 0.19,1247 0.197,1248 0.273,1249 0.171,1250 0.13,1251 4.362,1252 0.175,1253 4.539,1254 0.152,1255 6.284,1256 0.415,1257 3.937,1258 0.124,1259 2.989,1260 4.019,1261 3.49,1262 9.547,1263 2.842,1264 1.898,1265 1.871,1266 2.014,1267 1.979,1268 1.219,1269 1.992,1270 1.709,1271 1.639,1272 1.949,1273 1.929,1274 1.08,1275 1.945,1276 1.463,1277 1.436,1278 1.725,1279 1.67,1280 0.938,1281 1.656,1282 1.351,1283 1.256,1284 1.638,1285 1.584,1286 0.869,1287 1.638,1288 1.251,1289 1.186,1290 1.355,1291 1.492,1292 0.411,1293 1.495,1294 1.127,1295 1.089,1296 1.219,1297 1.398,1298 0.285,1299 1.34,1300 0.886,1301 0.821,1302 1.181,1303 1.143,1304 0.218,1305 1.107,1306 0.651,1307 0.594,1308 1.078,1309 1.062,1310 0.196,1311 1.037,1312 3.85,1314 5.094,1315 2.398,1316 6.535,1317 4.595,1318 8.059,1319 6.605,1320 9.626,1322 4.249,1327 9.165,1328 3.712,1331 1.404,1333 2.297,1340 25.917,1341 71.435,1342 143.2,1343 171.093,1344 184.213,1345 186.968,1346 186.968,1347 36.361,1348 6.342,1349 74.75,1350 100.05,1351 11,1352 11.916,1353 3.7,1354 2.907,1355 42.348,1356 79,1357 74,1358 0.26,1359 168.605,1360 285.79,1361 403.156,1362 4078,1364 15.786,1365 0.718,1366 0.617,1367 16.14,1368 13.584,1369 10.779,1370 0.469,1371 0.358,1372 7.22,1373 9.793,1374 6.93,1375 5.819,1376 11.233,1377 8.233,1378 8.513,1379 0.294,1380 0.195,1381 9.096,1382 5.653,1383 7.363,1384 0.199,1385 0.113,1386 8.064,1387 4.189,1388 5.653,1389 0.131,1390 0.064,1391 6.315,1392 2.766,1393 3.793,1394 0.082,1395 0.036,1396 4.423,1397 1.677,1398 0.412,1399 72.861,1400 0.257,1401 22.102,1402 0.699,1403 104,1404 341.326,1405 139.231,1406 347.21,1407 469.68,1408 324,1409 118,1410 339.233,1411 151.791,1412 347.4,1413 499.5,1414 325,1415 5.222}
{0 CHEMBL2047223,1 1.457,2 13.897,3 4.671,4 21.818,5 122.851,6 7.418,7 0.563,8 4.091,9 4.226,10 3.664,11 3.657,12 5.103,13 3.615,14 4.636,15 4.827,16 3.998,17 4.048,18 5.599,19 3.971,20 4.925,21 5.167,22 4.032,23 4.185,24 5.764,25 4.058,26 4.977,27 5.254,28 3.885,29 4.11,30 5.779,31 3.95,32 4.866,33 5.144,34 3.808,35 4.035,36 5.663,37 3.901,38 4.788,39 5.04,40 3.853,41 4.032,42 5.672,43 3.908,44 4.779,45 5.039,46 3.757,47 3.987,48 5.594,49 3.833,50 4.695,51 4.982,52 3.634,53 3.8,54 5.53,55 3.652,56 0.045,57 0.828,58 11.606,59 4.776,60 8.442,61 6.748,62 0.248,63 1.347,64 22.234,65 8.134,66 23.166,67 11.601,68 0.244,69 1.63,70 33.238,71 11.152,72 29.029,73 16.182,74 0.445,75 1.613,76 39.342,77 11.875,78 39.079,79 17.306,80 0.299,81 1.486,82 32.83,83 10.27,84 31.891,85 15.196,86 0.339,87 1.431,88 28.445,89 9.356,90 34.195,91 13.769,92 0.18,93 1.353,94 29.103,95 10.229,96 27.241,97 14.82,98 0.359,99 1.217,100 28.779,101 8.414,102 35.113,103 12.628,104 2,105 42,106 0.24,107 0.553,108 0.715,109 0.812,110 0.849,111 0.857,112 3.407,113 0.982,114 -5.84,115 -5.7,116 -5.3,121 41.8,123 2,127 4,129 1,144 10,145 2,146 1,147 1,149 1,152 1,176 10,179 1,180 5,183 3,185 4,187 13,192 2,197 1,200 7,206 7,209 2,210 1,211 4,214 4,219 2,224 1,227 5,231 2,232 4,237 4,239 9,244 2,249 3,251 3,256 6,259 1,261 5,264 2,269 5,274 2,277 2,281 1483,282 20.085,283 20.085,284 20.085,285 20.085,286 20.085,287 17.806,288 29.682,289 12.29,290 20.552,291 15.86,292 15.86,293 15.86,294 15.86,295 15.86,296 12.617,297 53.091,298 5.931,299 16.694,300 4.325,301 2.425,302 1.447,303 0.857,304 0.632,305 0.582,306 4.111,308 1,311 1,312 1,313 880,314 2.739,318 419.594,325 2.383,326 16.259,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 60.833,338 403,339 4.172,340 3.205,341 6.024,342 3.76,343 2.821,344 3.78,345 0.916,346 8.566,347 2.641,348 4.075,349 3.036,350 5.704,351 3.712,352 2.768,353 3.669,354 0.657,355 8.057,356 2.615,357 3.939,358 2.867,359 5.58,360 3.601,361 2.657,362 3.456,363 0.4,364 7.697,365 2.511,366 3.615,367 2.596,368 5.322,369 3.408,370 2.437,371 2.733,372 0.172,373 6.93,374 2.351,375 3.36,376 2.38,377 5.019,378 3.076,379 2.144,380 2.517,382 6.053,383 1.992,384 3.064,385 2.099,386 4.782,387 2.803,388 1.869,389 2.168,391 5.361,392 1.739,393 2.913,394 1.908,395 4.2,396 2.497,397 1.525,398 2.084,400 3.88,401 1.484,402 2.846,403 1.536,404 3.605,405 2.407,406 1.414,407 1.98,409 3.039,410 1.402,411 2.808,412 1.513,413 3.592,414 2.343,415 1.414,416 1.898,418 2.985,419 1.236,420 2.661,421 1.242,422 3.503,423 2.149,424 1.204,425 1.73,427 2.65,428 1.134,429 2.5,430 1.077,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2,439 1,440 3.247,441 1.984,442 1,443 1,445 2.136,446 0.983,447 1.881,448 0.826,449 3.163,450 1.583,451 0.649,452 0.777,454 1.504,455 0.599,456 1.412,457 0.482,458 2.987,459 1.24,460 0.288,461 0.314,463 0.73,464 0.273,465 1.143,466 0.372,467 2.699,468 0.801,469 -0.128,470 -0.155,472 -0.288,473 -0.094,474 14.214,475 0.49,476 0.499,477 0.017,478 38,479 1.31,480 19,481 0.655,482 19,483 0.655,484 23.677,485 0.816,486 30.786,487 0.56,488 25.321,489 0.873,490 7.436,491 0.256,492 6.823,493 0.235,494 0.05,496 0.239,501 0.87,502 1.381,503 0.699,504 1.015,505 0.732,506 0.95,507 0.938,508 1.082,509 0.84,510 0.985,511 0.693,512 1.014,513 1.103,514 1.191,515 0.959,516 1.054,517 0.935,518 1.061,519 1.088,520 0.949,521 1.102,522 1.016,523 1.053,524 1.014,525 1.14,526 0.934,527 0.881,528 0.842,529 1.104,530 0.864,531 1.016,532 0.929,533 0.86,534 0.921,535 1.063,536 0.987,537 0.831,538 1.192,539 0.884,540 1.092,541 0.853,542 1.072,543 1.003,544 0.939,545 0.886,546 0.909,547 0.933,548 0.921,549 5,550 0.074,551 2,552 1.188,553 1.098,554 0.431,555 0.444,556 0.278,557 0.205,558 0.142,559 13172,560 31621,561 2.154,562 47.3,564 19,566 1,567 2,570 4,572 1.713,573 2.096,574 3.745,575 0.194,582 80.112,583 1.457,584 3.356,585 4.334,586 4.925,587 5.149,588 5.2,589 3.19,590 4.582,591 4.828,592 3.936,593 1597.95,594 8.372,595 23324.9,597 1,600 317.975,601 1,602 4.824,603 0.156,604 0.003,605 0.048,606 0.03,607 0.033,608 0.013,609 0.013,610 0.009,611 0.008,612 0.006,613 0.319,614 0.33,615 0.88,616 0.335,617 151.885,618 -0.027,619 -0.178,620 0.034,621 -0.036,622 0.017,623 0.007,624 0.087,625 0.066,626 -0.036,627 -0.044,628 0.134,629 -0.078,630 -0.096,631 -0.166,632 -0.043,633 -0.096,634 -0.031,635 -0.1,636 0.048,637 0.014,638 -0.057,639 -0.058,640 -0.009,641 -0.049,642 -0.113,643 0.05,644 0.018,645 0.094,646 -0.114,647 0.093,648 -0.003,649 0.117,650 -0.033,651 0.006,652 -0.069,653 -0.044,654 0.01,655 -0.232,656 0.006,657 -0.115,658 0.02,659 -0.083,660 0.113,661 0.033,662 0.061,663 0.019,664 0.108,665 0.029,666 0.99,667 2.113,668 0.828,669 35.472,670 0.992,671 1.127,672 4.605,673 21.209,674 0.677,675 3.497,676 3.761,677 3.97,678 4.174,679 4.382,680 4.304,681 4.419,682 4.554,683 4.644,684 4.718,685 8.106,686 0.631,687 407.99,688 3.497,689 5.004,690 5.82,691 6.658,692 7.484,693 8.324,694 9.153,695 9.994,696 10.825,697 11.666,698 9.1,701 1,703 2,708 2,715 11,716 2,720 5,722 18,734 2,740 1,741 55,743 18,744 2,745 32,747 58,748 23,749 16,750 3,751 9,756 4,757 4,758 1,767 3,770 3,772 16,773 7,790 1,793 26,794 5,795 2,796 6,797 1,802 5,808 1,823 1,829 4,855 1,859 4,865 1,868 29,876 6,877 2,880 1,881 1,892 1,901 13.833,902 9.493,903 6.444,904 3.337,907 3.065,908 1.403,909 0.995,910 6.859,911 10.67,912 3.738,913 4.256,914 4.725,915 5.191,916 5.654,917 5.503,918 5.706,919 6.023,920 6.331,921 6.616,922 1,923 40,924 10.699,926 4.432,927 0.026,929 7.492,931 21.036,933 17.259,936 1.992,937 57.778,940 1,941 282.506,942 131.401,943 72.717,944 39.149,948 131.401,949 321.655,950 72.717,952 13.492,953 94.762,954 81.364,955 22.043,956 4.227,957 270.735,958 39.149,959 282.506,960 204.117,962 39.149,964 235.422,965 47.084,968 27.563,969 106.962,970 108.741,972 282.506,973 72.717,974 170.549,977 282.506,978 27.591,979 106.934,980 36.022,981 72.72,982 282.506,983 72.717,984 170.549,986 0.567,987 0.319,988 0.169,989 0.092,990 19,991 7,992 0.121,993 7,995 1,996 4.351,997 238.182,999 24,1000 132.881,1005 19.994,1006 9.949,1007 5.845,1009 72.717,1010 22.161,1011 8.999,1015 4.655,1017 36.022,1018 525.773,1019 41,1031 54.552,1032 62.003,1034 0.252,1035 0.581,1036 0.75,1037 0.852,1038 0.891,1039 0.899,1040 4.938,1041 1.414,1042 5.753,1043 3.88,1044 4.443,1045 4.942,1046 1.305,1047 6.454,1048 4.339,1049 6.084,1050 1.414,1051 7.235,1052 3.039,1053 3.761,1054 4.388,1055 0.325,1056 7.066,1057 3.538,1058 7.336,1059 1.204,1060 8.809,1061 2.985,1062 5.932,1063 6.982,1064 0.868,1065 10.115,1066 5.724,1067 8.615,1068 1,1069 10.438,1070 2.65,1071 6.066,1072 7.226,1073 0.393,1074 11.537,1075 5.73,1076 9.925,1077 1,1078 12.101,1079 2.275,1080 7.656,1081 9.283,1082 0.627,1083 14.04,1084 7.336,1085 11.254,1086 0.649,1087 13.788,1088 2.136,1089 8.196,1090 9.939,1091 0.384,1092 15.815,1093 7.753,1094 12.6,1095 0.288,1096 15.491,1097 1.504,1098 9.506,1099 11.718,1100 0.482,1101 18.099,1102 9.066,1103 2.821,1104 -0.128,1105 17.207,1106 0.73,1107 10.264,1108 12.612,1109 0.351,1110 20.044,1111 9.712,1112 2.768,1113 8.566,1114 18.931,1115 -0.288,1116 11.43,1117 14.225,1118 0.387,1119 22.232,1120 10.865,1121 2.657,1122 8.057,1123 20.663,1124 3.78,1125 12.306,1126 15.265,1127 0.312,1128 24.262,1129 11.642,1130 2.437,1131 7.697,1132 22.4,1133 3.669,1134 13.399,1135 16.774,1136 0.319,1137 26.409,1138 12.706,1139 2.144,1140 6.93,1141 24.142,1142 3.456,1143 14.339,1144 17.907,1145 0.273,1146 28.483,1147 13.558,1148 1.869,1149 6.053,1150 25.888,1151 2.733,1152 15.394,1153 19.348,1154 0.267,1155 30.613,1156 14.573,1157 1.525,1158 5.361,1159 27.638,1160 2.517,1161 16.37,1162 20.542,1163 0.236,1164 32.71,1165 15.469,1166 12288,1167 19206,1168 22.246,1169 37.262,1170 46.611,1171 46.917,1172 46.933,1173 46.613,1174 46.378,1175 59.21,1176 4.292,1177 123.723,1178 43.918,1179 5.172,1180 5.205,1181 5.826,1182 4.833,1183 4.821,1184 6.78,1185 1.605,1186 14.525,1187 4.641,1188 7.333,1189 1.457,1190 1.466,1191 1.467,1192 1.457,1193 1.449,1194 1.85,1195 0.134,1196 3.866,1197 1.372,1198 3.984,1199 4.036,1200 4.017,1201 3.89,1202 5.019,1203 3.886,1204 3.917,1205 3.952,1206 3.878,1207 3.852,1208 4.922,1209 3.845,1210 3.848,1211 3.892,1212 3.807,1213 3.708,1214 4.755,1215 3.719,1216 3.747,1217 3.804,1218 3.649,1219 3.596,1220 4.351,1221 3.606,1222 3.308,1223 3.395,1224 3.303,1225 3.101,1226 4.336,1227 3.107,1228 3.224,1229 3.305,1230 3.184,1231 3.052,1232 4.165,1233 3.047,1234 3.111,1235 3.206,1236 3.078,1237 2.941,1238 3.974,1239 2.91,1240 2.959,1241 3.042,1242 2.866,1243 2.798,1244 3.762,1245 2.781,1246 0.13,1247 0.1,1248 0.188,1249 0.117,1250 0.088,1251 4.172,1252 0.118,1253 3.205,1254 0.029,1255 6.024,1256 0.268,1257 3.76,1258 0.083,1259 2.821,1260 3.78,1261 0.916,1262 8.566,1263 2.641,1264 1.929,1265 1.893,1266 2.079,1267 2.072,1268 1.412,1269 2.076,1270 1.909,1271 1.884,1272 2.01,1273 2.01,1274 1.155,1275 2.014,1276 1.818,1277 1.763,1278 1.989,1279 1.954,1280 1.136,1281 1.968,1282 1.707,1283 1.654,1284 1.821,1285 1.881,1286 0.825,1287 1.876,1288 1.265,1289 1.187,1290 1.513,1291 1.517,1292 0.824,1293 1.52,1294 1.212,1295 1.139,1296 1.513,1297 1.433,1298 0.729,1299 1.452,1300 1.153,1301 1.064,1302 1.477,1303 1.376,1304 0.616,1305 1.429,1306 0.941,1307 0.862,1308 1.229,1309 1.181,1310 0.432,1311 1.206,1312 4.174,1314 5.451,1316 6.921,1318 8.47,1320 10.054,1323 6.224,1328 5.995,1329 6.83,1332 0.404,1333 2.51,1340 34.729,1341 80.112,1342 184.596,1343 238.391,1344 270.855,1345 283.22,1346 285.975,1347 38.271,1348 7.604,1349 53.08,1350 53.08,1351 24,1352 12.233,1353 4.248,1354 3.322,1355 45.054,1356 141,1357 132,1358 0.151,1359 217.778,1360 370.77,1361 523.14,1362 24593,1363 1.8,1364 19.891,1365 0.686,1366 0.591,1367 20.391,1368 17.146,1369 14.259,1370 0.446,1371 0.327,1372 10.021,1373 13.603,1374 9.785,1375 8.103,1376 14.548,1377 10.471,1378 12.36,1379 0.294,1380 0.186,1381 12.731,1382 7.798,1383 10.151,1384 0.195,1385 0.108,1386 10.531,1387 5.612,1388 8.219,1389 0.128,1390 0.06,1391 8.488,1392 3.816,1393 6.714,1394 0.085,1395 0.034,1396 6.893,1397 2.709,1398 0.247,1399 91.067,1400 0.212,1401 28.459,1402 0.387,1403 148,1404 361.804,1405 173.372,1406 390.854,1407 533.37,1408 368,1409 168,1410 372.919,1411 189.868,1412 391.309,1413 566.09,1414 369,1415 5.114}
{0 CHEMBL2047224,1 1.457,2 13.931,3 4.671,4 21.818,5 122.851,6 7.418,7 0.563,8 4.091,9 4.226,10 3.664,11 3.657,12 5.103,13 3.615,14 4.636,15 4.827,16 3.998,17 4.048,18 5.604,19 3.971,20 4.925,21 5.167,22 3.984,23 4.177,24 5.76,25 4.048,26 4.97,27 5.255,28 3.86,29 4.099,30 5.738,31 3.941,32 4.869,33 5.144,34 3.824,35 4.035,36 5.685,37 3.902,38 4.788,39 5.04,40 3.785,41 4.029,42 5.646,43 3.9,44 4.776,45 5.039,46 3.762,47 3.975,48 5.6,49 3.824,50 4.694,51 4.982,52 3.609,53 3.814,54 5.501,55 3.662,56 0.045,57 0.828,58 11.606,59 4.776,60 8.331,61 6.748,62 0.248,63 1.347,64 22.234,65 8.134,66 23.799,67 11.601,68 0.253,69 1.632,70 33.51,71 11.145,72 30.214,73 16.182,74 0.376,75 1.628,76 36.16,77 11.711,78 33.417,79 17.227,80 0.346,81 1.479,82 34.09,83 10.277,84 35.121,85 15.207,86 0.313,87 1.435,88 28.417,89 9.42,90 31.269,91 13.791,92 0.205,93 1.356,94 28.442,95 10.079,96 29.524,97 14.764,98 0.287,99 1.221,100 28.179,101 8.557,102 30.574,103 12.673,104 2,105 42,106 0.24,107 0.553,108 0.719,109 0.823,110 0.849,111 0.857,112 3.407,113 0.981,114 -5.84,115 -5.7,116 -5.3,121 41.8,123 2,127 4,129 1,144 10,145 2,146 1,147 1,149 1,152 1,176 10,179 1,180 5,183 3,185 4,187 13,192 2,197 2,200 7,206 7,209 2,210 1,211 2,214 4,219 3,224 2,227 6,231 2,232 2,237 4,239 7,244 4,249 4,251 4,256 4,259 1,261 3,264 2,269 6,274 3,277 4,281 1498,282 20.032,283 20.032,284 20.032,285 20.032,286 20.032,287 17.782,288 31.027,289 12.27,290 20.525,291 15.882,292 15.882,293 15.882,294 15.882,295 15.882,296 12.644,297 55.689,298 5.957,299 16.747,300 4.325,301 2.425,302 1.418,303 0.791,304 0.632,305 0.582,306 4.111,308 1,311 1,312 1,313 882,314 2.739,318 421.408,325 2.416,326 16.018,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 60.833,338 404,339 4.101,340 3.04,341 5.709,342 3.73,343 2.792,344 3.69,345 0.916,346 8.074,347 2.635,348 4.027,349 3.02,350 5.587,351 3.647,352 2.691,353 3.633,354 0.657,355 7.713,356 2.572,357 3.939,358 2.87,359 5.503,360 3.578,361 2.626,362 3.456,363 0.4,364 7.446,365 2.5,366 3.616,367 2.64,368 5.315,369 3.406,370 2.436,371 2.741,372 0.172,373 6.912,374 2.348,375 3.383,376 2.475,377 5.019,378 3.083,379 2.155,380 2.565,382 6.056,383 1.994,384 3.269,385 2.317,386 4.801,387 2.892,388 1.979,389 2.484,391 5.432,392 1.765,393 3.053,394 1.977,395 4.713,396 2.754,397 1.823,398 2.16,400 5.189,401 1.655,402 2.81,403 1.516,404 3.592,405 2.408,406 1.415,407 1.902,409 3.039,410 1.403,411 2.68,412 1.339,413 3.512,414 2.195,415 1.232,416 1.759,418 2.687,419 1.163,420 2.654,421 1.228,422 3.481,423 2.142,424 1.184,425 1.723,427 2.596,428 1.127,429 2.5,430 1.077,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2,439 1,440 3.247,441 1.984,442 1,443 1,445 2.136,446 0.983,447 1.824,448 0.802,449 3.17,450 1.542,451 0.609,452 0.718,454 1.458,455 0.566,456 1.412,457 0.481,458 2.987,459 1.24,460 0.288,461 0.314,463 0.729,464 0.273,465 1.075,466 0.208,467 2.699,468 0.8,469 -0.152,470 -0.176,472 -0.404,473 -0.144,474 14.214,475 0.49,476 0.516,477 0.018,478 38,479 1.31,480 19,481 0.655,482 19,483 0.655,484 23.524,485 0.811,486 30.786,487 0.56,488 25.291,489 0.872,490 7.42,491 0.256,492 6.822,493 0.235,494 0.05,496 0.239,501 0.87,502 1.381,503 0.699,504 1.015,505 0.736,506 0.95,507 0.938,508 1.082,509 0.84,510 0.985,511 0.663,512 1.014,513 1.13,514 1.198,515 1.017,516 1.096,517 0.988,518 1.096,519 0.95,520 0.937,521 0.854,522 0.911,523 0.869,524 0.949,525 1.141,526 0.945,527 0.966,528 0.899,529 1.131,530 0.896,531 1.128,532 0.926,533 0.939,534 0.94,535 1.219,536 1.014,537 0.667,538 1.202,539 0.769,540 1.087,541 0.666,542 1.062,543 1.183,544 0.915,545 0.913,546 0.845,547 1.071,548 0.892,549 5.5,550 0.074,551 1.556,552 1.188,553 1.178,554 0.319,555 0.485,556 0.255,557 0.23,558 0.118,559 13272,560 32197,561 2.154,562 47.3,564 19,566 1,567 2,570 4,572 1.713,573 2.096,574 3.763,575 0.194,582 80.112,583 1.457,584 3.356,585 4.364,586 4.99,587 5.149,588 5.2,589 3.22,590 4.582,591 4.827,592 3.953,593 1604.78,594 8.371,595 23504.5,597 1,600 317.975,601 1,602 4.824,603 0.172,604 0.003,605 0.037,606 0.03,607 0.036,608 0.009,609 0.015,610 0.009,611 0.009,612 0.005,613 0.325,614 0.33,615 0.88,616 0.335,617 152.101,618 -0.027,619 -0.178,620 0.034,621 -0.036,622 0.012,623 0.007,624 0.087,625 0.066,626 -0.036,627 -0.044,628 0.165,629 -0.078,630 -0.123,631 -0.173,632 -0.103,633 -0.138,634 -0.08,635 -0.135,636 0.044,637 0.031,638 0.031,639 0.024,640 0.018,641 0.011,642 -0.06,643 0.037,644 -0.007,645 0.046,646 -0.082,647 0.063,648 -0.118,649 0.12,650 -0.113,651 -0.013,652 -0.226,653 -0.071,654 0.12,655 -0.24,656 0.058,657 -0.121,658 0.146,659 -0.076,660 -0.07,661 0.057,662 0.034,663 0.083,664 -0.036,665 0.058,666 0.984,667 1.938,668 0.828,669 36.078,670 0.992,671 1.127,672 4.605,673 21.209,674 0.677,675 3.497,676 3.761,677 3.951,678 4.174,679 4.382,680 4.304,681 4.419,682 4.543,683 4.654,684 4.7,685 8.176,686 0.631,687 407.99,688 3.497,689 5.004,690 5.814,691 6.653,692 7.473,693 8.313,694 9.137,695 9.978,696 10.804,697 11.645,698 9.1,701 1,703 2,708 2,715 11,716 2,720 5,722 18,734 2,740 1,741 55,743 18,744 2,745 32,747 58,748 23,749 16,750 3,751 9,756 4,757 4,758 1,767 3,770 3,772 16,773 7,790 1,793 26,794 5,795 2,796 6,797 1,802 5,808 1,823 1,829 4,855 1,859 4,865 1,868 29,876 6,877 2,880 1,881 1,892 1,901 13.833,902 9.493,903 6.417,904 3.33,907 3.034,908 1.399,909 0.995,910 6.859,911 10.639,912 3.738,913 4.256,914 4.712,915 5.195,916 5.656,917 5.515,918 5.698,919 6.009,920 6.347,921 6.603,922 1,923 39,924 10.697,926 4.428,927 0.026,929 7.492,931 21.036,933 17.254,936 1.992,937 57.778,940 1,941 282.506,942 131.401,943 72.717,944 39.149,948 131.401,949 321.655,950 72.717,952 13.492,953 94.762,954 81.364,955 22.043,956 4.227,957 270.735,958 39.149,959 282.506,960 204.117,962 39.149,964 235.422,965 47.084,968 27.563,969 106.962,970 108.741,972 282.506,973 72.717,974 170.549,977 282.506,978 27.591,979 106.934,980 36.022,981 72.72,982 282.506,983 72.717,984 170.549,986 0.567,987 0.312,988 0.168,989 0.093,990 19,991 7,992 0.121,993 7,995 1,996 4.366,997 237.272,999 24,1000 132.881,1005 19.994,1006 9.949,1007 6.087,1009 72.717,1010 22.179,1011 9.004,1015 4.733,1017 36.022,1018 525.773,1019 41,1031 54.552,1032 62.003,1034 0.252,1035 0.581,1036 0.755,1037 0.863,1038 0.891,1039 0.899,1040 4.938,1041 1.415,1042 5.746,1043 5.189,1044 4.443,1045 4.942,1046 1.305,1047 6.435,1048 4.339,1049 6.084,1050 1.232,1051 7.217,1052 3.039,1053 3.761,1054 4.388,1055 0.325,1056 6.986,1057 3.538,1058 7.333,1059 1.184,1060 8.775,1061 2.687,1062 5.922,1063 6.973,1064 0.868,1065 10.027,1066 5.719,1067 8.607,1068 1,1069 10.381,1070 2.596,1071 6.019,1072 7.176,1073 0.393,1074 11.351,1075 5.703,1076 9.908,1077 1,1078 12.018,1079 2.275,1080 7.615,1081 9.248,1082 0.627,1083 13.849,1084 7.315,1085 11.227,1086 0.609,1087 13.674,1088 2.136,1089 8.107,1090 9.845,1091 0.384,1092 15.524,1093 7.707,1094 12.561,1095 0.288,1096 15.343,1097 1.458,1098 9.425,1099 11.647,1100 0.482,1101 17.79,1102 9.027,1103 2.792,1104 -0.152,1105 17.022,1106 0.729,1107 10.138,1108 12.479,1109 0.351,1110 19.646,1111 9.649,1112 2.691,1113 8.074,1114 18.708,1115 -0.404,1116 11.307,1117 14.114,1118 0.387,1119 21.802,1120 10.806,1121 2.626,1122 7.713,1123 20.4,1124 3.69,1125 12.145,1126 15.096,1127 0.312,1128 23.753,1129 11.563,1130 2.436,1131 7.446,1132 22.096,1133 3.633,1134 13.234,1135 16.621,1136 0.319,1137 25.857,1138 12.629,1139 2.155,1140 6.912,1141 23.795,1142 3.456,1143 14.144,1144 17.702,1145 0.273,1146 27.86,1147 13.465,1148 1.979,1149 6.056,1150 25.497,1151 2.741,1152 15.19,1153 19.154,1154 0.267,1155 29.94,1156 14.478,1157 1.823,1158 5.432,1159 27.202,1160 2.565,1161 16.141,1162 20.302,1163 0.236,1164 31.97,1165 15.36,1166 12381,1167 19453,1168 22.246,1169 37.262,1170 46.662,1171 46.619,1172 46.749,1173 46.691,1174 46.461,1175 59.289,1176 4.292,1177 123.485,1178 43.966,1179 5.101,1180 5.04,1181 5.511,1182 4.803,1183 4.792,1184 6.69,1185 1.605,1186 13.83,1187 4.635,1188 7.502,1189 1.458,1190 1.457,1191 1.461,1192 1.459,1193 1.452,1194 1.853,1195 0.134,1196 3.859,1197 1.374,1198 3.984,1199 4.036,1200 4.006,1201 3.89,1202 5.018,1203 3.885,1204 3.917,1205 3.953,1206 3.879,1207 3.852,1208 4.93,1209 3.844,1210 3.848,1211 3.892,1212 3.81,1213 3.708,1214 4.754,1215 3.72,1216 3.748,1217 3.804,1218 3.651,1219 3.597,1220 4.371,1221 3.606,1222 3.31,1223 3.395,1224 3.383,1225 3.106,1226 4.329,1227 3.112,1228 3.226,1229 3.305,1230 3.153,1231 3.061,1232 4.126,1233 3.054,1234 3.111,1235 3.206,1236 3.022,1237 2.941,1238 3.974,1239 2.91,1240 2.959,1241 3.042,1242 2.866,1243 2.792,1244 3.759,1245 2.781,1246 0.128,1247 0.095,1248 0.178,1249 0.117,1250 0.087,1251 4.101,1252 0.115,1253 3.04,1254 0.029,1255 5.709,1256 0.252,1257 3.73,1258 0.082,1259 2.792,1260 3.69,1261 0.916,1262 8.074,1263 2.635,1264 1.929,1265 1.893,1266 2.079,1267 2.072,1268 1.412,1269 2.076,1270 1.909,1271 1.883,1272 2.013,1273 2.011,1274 1.155,1275 2.016,1276 1.818,1277 1.763,1278 1.989,1279 1.954,1280 1.136,1281 1.968,1282 1.707,1283 1.654,1284 1.819,1285 1.88,1286 0.825,1287 1.875,1288 1.264,1289 1.188,1290 1.513,1291 1.513,1292 0.823,1293 1.516,1294 1.21,1295 1.139,1296 1.508,1297 1.429,1298 0.728,1299 1.448,1300 1.153,1301 1.064,1302 1.467,1303 1.376,1304 0.609,1305 1.429,1306 0.941,1307 0.862,1308 1.229,1309 1.181,1310 0.432,1311 1.206,1312 4.174,1314 5.451,1316 6.915,1318 8.456,1320 10.033,1323 6.049,1328 6.049,1329 6.845,1332 0.408,1333 2.511,1340 34.729,1341 80.112,1342 184.596,1343 240.001,1344 274.465,1345 283.22,1346 285.975,1347 37.677,1348 7.604,1349 53.08,1350 53.08,1351 24,1352 12.213,1353 4.248,1354 3.322,1355 45.063,1356 142,1357 132,1358 0.15,1359 217.778,1360 370.77,1361 523.14,1362 24593,1363 1.8,1364 19.891,1365 0.686,1366 0.591,1367 20.391,1368 17.146,1369 14.242,1370 0.445,1371 0.327,1372 10.015,1373 13.569,1374 9.776,1375 8.097,1376 14.531,1377 10.465,1378 12.476,1379 0.297,1380 0.187,1381 12.884,1382 7.866,1383 9.944,1384 0.195,1385 0.106,1386 10.206,1387 5.423,1388 8.24,1389 0.129,1390 0.06,1391 8.509,1392 3.839,1393 6.721,1394 0.085,1395 0.034,1396 6.898,1397 2.71,1398 0.245,1399 90.966,1400 0.212,1401 28.503,1402 0.383,1403 148,1404 361.804,1405 173.372,1406 391.073,1407 532.81,1408 368,1409 167,1410 371.919,1411 186.917,1412 390.611,1413 563.29,1414 368,1415 5.114}
{0 CHEMBL2047225,1 1.457,2 14.448,3 4.671,4 21.818,5 122.851,6 7.418,7 0.563,8 4.091,9 4.226,10 3.664,11 3.657,12 5.103,13 3.615,14 4.636,15 4.827,16 3.998,17 4.048,18 5.604,19 3.971,20 4.925,21 5.167,22 3.984,23 4.177,24 5.764,25 4.048,26 4.97,27 5.255,28 3.803,29 4.09,30 5.734,31 3.93,32 4.861,33 5.145,34 3.797,35 4.024,36 5.64,37 3.893,38 4.791,39 5.039,40 3.801,41 4.029,42 5.669,43 3.9,44 4.776,45 5.039,46 3.687,47 3.971,48 5.573,49 3.815,50 4.692,51 4.983,52 3.615,53 3.8,54 5.508,55 3.652,56 0.045,57 0.828,58 11.606,59 4.776,60 8.331,61 6.748,62 0.248,63 1.347,64 22.234,65 8.134,66 23.687,67 11.601,68 0.253,69 1.632,70 33.51,71 11.145,72 30.847,73 16.182,74 0.385,75 1.631,76 36.433,77 11.704,78 34.602,79 17.227,80 0.277,81 1.495,82 30.908,83 10.113,84 29.459,85 15.129,86 0.36,87 1.429,88 29.678,89 9.427,90 34.498,91 13.802,92 0.179,93 1.36,94 28.415,95 10.143,96 26.597,97 14.786,98 0.312,99 1.223,100 27.518,101 8.407,102 32.857,103 12.617,104 2,105 42,106 0.24,107 0.553,108 0.713,109 0.813,110 0.833,111 0.833,112 3.407,113 0.981,114 -5.84,115 -5.7,116 -5.3,121 41.8,123 2,127 4,129 1,144 10,145 2,146 1,147 1,149 1,152 1,176 10,179 1,180 5,183 3,185 4,187 13,192 2,197 2,200 7,206 7,209 2,210 1,211 3,214 4,219 3,227 6,231 2,232 3,237 5,239 8,244 2,249 4,251 2,256 6,259 1,261 4,264 3,269 4,274 1,277 4,281 1513,282 20.032,283 20.032,284 20.032,285 20.032,286 20.032,287 17.782,288 31.027,289 12.237,290 20.525,291 15.865,292 15.865,293 15.865,294 15.865,295 15.865,296 12.638,297 54.718,298 5.942,299 16.739,300 4.325,301 2.425,302 1.454,303 0.85,304 0.727,305 0.727,306 4.111,308 1,311 1,312 1,313 915,314 2.739,318 423.502,325 2.464,326 15.796,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 60.833,338 419,339 4.097,340 3.038,341 5.708,342 3.729,343 2.791,344 3.684,345 0.916,346 8.072,347 2.634,348 4.002,349 2.98,350 5.585,351 3.636,352 2.682,353 3.606,354 0.657,355 7.708,356 2.564,357 3.939,358 2.873,359 5.427,360 3.562,361 2.603,362 3.456,363 0.4,364 7.206,365 2.496,366 3.618,367 2.676,368 5.305,369 3.405,370 2.436,371 2.764,372 0.172,373 6.878,374 2.347,375 3.437,376 2.509,377 5.02,378 3.092,379 2.171,380 2.673,382 6.057,383 1.995,384 3.326,385 2.331,386 4.886,387 2.972,388 2.058,389 2.505,391 5.684,392 1.802,393 3.055,394 1.98,395 4.766,396 2.771,397 1.838,398 2.16,400 5.316,401 1.695,402 2.81,403 1.516,404 3.592,405 2.408,406 1.415,407 1.901,409 3.039,410 1.403,411 2.664,412 1.271,413 3.507,414 2.157,415 1.213,416 1.733,418 2.665,419 1.141,420 2.5,421 1.077,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2,439 1,440 3.247,441 1.984,442 1,443 1,445 2.136,446 0.983,447 1.894,448 0.992,449 3.197,450 1.613,451 0.695,452 0.807,454 1.624,455 0.624,456 1.412,457 0.483,458 2.989,459 1.24,460 0.288,461 0.314,463 0.73,464 0.273,465 1.157,466 0.392,467 2.699,468 0.802,469 -0.126,470 -0.153,472 -0.281,473 -0.093,474 14.214,475 0.49,476 0.516,477 0.018,478 38,479 1.31,480 19,481 0.655,482 19,483 0.655,484 23.412,485 0.807,486 30.786,487 0.56,488 25.266,489 0.871,490 7.42,491 0.256,492 6.822,493 0.235,494 0.05,496 0.239,501 0.87,502 1.381,503 0.699,504 1.015,505 0.736,506 0.95,507 0.938,508 1.082,509 0.84,510 0.985,511 0.665,512 1.014,513 1.13,514 1.198,515 1.017,516 1.096,517 0.966,518 1.096,519 0.975,520 0.944,521 0.909,522 0.95,523 0.919,524 0.981,525 0.987,526 0.932,527 0.69,528 0.782,529 0.926,530 0.823,531 1.129,532 0.937,533 1.031,534 1.002,535 1.248,536 1.049,537 0.778,538 1.199,539 0.847,540 1.106,541 0.822,542 1.089,543 1.002,544 0.926,545 0.785,546 0.841,547 0.866,548 0.882,549 5.5,550 0.062,551 1.778,552 0.938,553 1.178,554 0.375,555 0.442,556 0.286,557 0.225,558 0.152,559 13372,560 32773,561 2.154,562 47.3,564 19,566 1,567 2,570 4,572 1.712,573 2.096,574 3.806,575 0.194,582 80.112,583 1.457,584 3.356,585 4.327,586 4.931,587 5.054,588 5.054,589 3.263,590 4.444,591 4.826,592 3.976,593 1614.29,594 8.368,595 23681,597 1,600 317.975,601 1,602 4.824,603 0.172,604 0.003,605 0.042,606 0.024,607 0.037,608 0.011,609 0.013,610 0.01,611 0.009,612 0.006,613 0.327,614 0.33,615 0.88,616 0.335,617 152.308,618 -0.027,619 -0.178,620 0.034,621 -0.036,622 0.012,623 0.007,624 0.087,625 0.066,626 -0.036,627 -0.044,628 0.163,629 -0.078,630 -0.123,631 -0.173,632 -0.103,633 -0.138,634 -0.057,635 -0.135,636 0.019,637 0.024,638 -0.025,639 -0.016,640 -0.027,641 -0.022,642 -0.065,643 0.056,644 0.09,645 0.137,646 -0.052,647 0.13,648 -0.06,649 0.106,650 -0.14,651 -0.066,652 -0.192,653 -0.104,654 0.006,655 -0.237,656 -0.022,657 -0.14,658 -0.01,659 -0.103,660 0.05,661 0.049,662 0.091,663 0.077,664 0.103,665 0.066,666 0.979,667 1.828,668 0.828,669 36.685,670 0.992,671 1.127,672 4.605,673 21.209,674 0.677,675 3.497,676 3.761,677 3.951,678 4.159,679 4.394,680 4.304,681 4.407,682 4.554,683 4.644,684 4.71,685 8.253,686 0.631,687 407.99,688 3.497,689 5.004,690 5.814,691 6.65,692 7.471,693 8.309,694 9.134,695 9.972,696 10.8,697 11.638,698 9.1,701 1,703 2,708 2,715 11,716 2,720 5,722 18,734 2,740 1,741 55,743 18,744 2,745 32,747 58,748 23,749 16,750 3,751 9,756 4,757 4,758 1,767 3,770 3,772 16,773 7,790 1,793 26,794 5,795 2,796 6,797 1,802 5,808 1,823 1,829 4,855 1,859 4,865 1,868 29,876 6,877 2,880 1,881 1,892 1,901 13.833,902 9.493,903 6.417,904 3.33,907 3.024,908 1.398,909 0.995,910 6.859,911 10.629,912 3.738,913 4.256,914 4.712,915 5.182,916 5.672,917 5.512,918 5.681,919 6.021,920 6.338,921 6.617,922 0.9,923 39,924 10.695,926 4.425,927 0.026,929 7.492,931 21.036,933 17.254,936 1.992,937 57.778,940 1,941 282.506,942 131.401,943 72.717,944 39.149,948 131.401,949 321.655,950 72.717,952 13.492,953 94.762,954 81.364,955 22.043,956 4.227,957 270.735,958 39.149,959 282.506,960 204.117,962 39.149,964 235.422,965 47.084,968 27.563,969 106.962,970 108.741,972 282.506,973 72.717,974 170.549,977 282.506,978 27.591,979 106.934,980 36.022,981 72.72,982 282.506,983 72.717,984 170.549,986 0.568,987 0.313,988 0.164,989 0.095,990 19,991 7,992 0.121,993 7,995 1,996 4.378,997 236.651,999 24,1000 128.881,1005 19.994,1006 9.949,1007 6.087,1009 72.717,1010 22.181,1011 9.007,1015 4.79,1017 36.022,1018 525.773,1019 41,1031 54.552,1032 62.003,1034 0.252,1035 0.581,1036 0.748,1037 0.853,1038 0.874,1039 0.874,1040 4.938,1041 1.415,1042 5.746,1043 5.316,1044 4.443,1045 4.942,1046 1.305,1047 6.431,1048 4.339,1049 6.084,1050 1.213,1051 7.217,1052 3.039,1053 3.761,1054 4.388,1055 0.325,1056 6.986,1057 3.538,1058 7.333,1059 1,1060 8.774,1061 2.665,1062 5.922,1063 6.973,1064 0.868,1065 10.011,1066 5.719,1067 8.607,1068 1,1069 10.379,1070 2.275,1071 6.019,1072 7.176,1073 0.393,1074 11.335,1075 5.703,1076 9.908,1077 1,1078 12.014,1079 2.275,1080 7.612,1081 9.245,1082 0.627,1083 13.819,1084 7.314,1085 11.226,1086 0.695,1087 13.668,1088 2.136,1089 8.099,1090 9.833,1091 0.384,1092 15.49,1093 7.702,1094 12.558,1095 0.288,1096 15.335,1097 1.624,1098 9.415,1099 11.636,1100 0.482,1101 17.746,1102 9.021,1103 2.791,1104 -0.126,1105 17.011,1106 0.73,1107 10.12,1108 12.455,1109 0.351,1110 19.597,1111 9.639,1112 2.682,1113 8.072,1114 18.694,1115 -0.281,1116 11.289,1117 14.094,1118 0.387,1119 21.746,1120 10.797,1121 2.603,1122 7.708,1123 20.382,1124 3.684,1125 12.12,1126 15.062,1127 0.312,1128 23.694,1129 11.55,1130 2.436,1131 7.206,1132 22.074,1133 3.606,1134 13.208,1135 16.591,1136 0.319,1137 25.794,1138 12.615,1139 2.171,1140 6.878,1141 23.77,1142 3.456,1143 14.112,1144 17.66,1145 0.273,1146 27.794,1147 13.448,1148 2.058,1149 6.057,1150 25.469,1151 2.764,1152 15.158,1153 19.114,1154 0.267,1155 29.872,1156 14.461,1157 1.838,1158 5.684,1159 27.17,1160 2.673,1161 16.104,1162 20.251,1163 0.236,1164 31.901,1165 15.341,1166 12475,1167 19701,1168 22.246,1169 37.262,1170 46.629,1171 46.877,1172 46.761,1173 46.629,1174 46.383,1175 59.207,1176 4.292,1177 123.326,1178 43.916,1179 5.097,1180 5.038,1181 5.51,1182 4.802,1183 4.791,1184 6.684,1185 1.605,1186 13.825,1187 4.634,1188 7.648,1189 1.457,1190 1.465,1191 1.461,1192 1.457,1193 1.449,1194 1.85,1195 0.134,1196 3.854,1197 1.372,1198 3.984,1199 4.036,1200 4.003,1201 3.889,1202 5.018,1203 3.885,1204 3.917,1205 3.953,1206 3.88,1207 3.852,1208 4.933,1209 3.844,1210 3.848,1211 3.892,1212 3.811,1213 3.708,1214 4.754,1215 3.72,1216 3.748,1217 3.804,1218 3.651,1219 3.597,1220 4.378,1221 3.606,1222 3.311,1223 3.394,1224 3.412,1225 3.115,1226 4.327,1227 3.118,1228 3.229,1229 3.304,1230 3.147,1231 3.068,1232 4.088,1233 3.061,1234 3.111,1235 3.206,1236 2.94,1237 2.941,1238 3.974,1239 2.91,1240 2.96,1241 3.042,1242 2.866,1243 2.776,1244 3.729,1245 2.781,1246 0.128,1247 0.095,1248 0.178,1249 0.117,1250 0.087,1251 4.097,1252 0.115,1253 3.038,1254 0.029,1255 5.708,1256 0.252,1257 3.729,1258 0.082,1259 2.791,1260 3.684,1261 0.916,1262 8.072,1263 2.634,1264 1.929,1265 1.893,1266 2.079,1267 2.072,1268 1.412,1269 2.076,1270 1.91,1271 1.883,1272 2.013,1273 2.012,1274 1.155,1275 2.016,1276 1.818,1277 1.763,1278 1.989,1279 1.954,1280 1.136,1281 1.968,1282 1.707,1283 1.654,1284 1.818,1285 1.88,1286 0.825,1287 1.875,1288 1.262,1289 1.188,1290 1.513,1291 1.51,1292 0.823,1293 1.513,1294 1.207,1295 1.14,1296 1.505,1297 1.424,1298 0.728,1299 1.443,1300 1.153,1301 1.064,1302 1.45,1303 1.376,1304 0.603,1305 1.429,1306 0.941,1307 0.862,1308 1.229,1309 1.18,1310 0.432,1311 1.205,1312 4.174,1314 5.451,1316 6.915,1318 8.455,1320 10.029,1323 5.939,1328 6.082,1329 6.855,1332 0.411,1333 2.512,1340 34.729,1341 80.112,1342 184.596,1343 238.001,1344 271.22,1345 277.975,1346 277.975,1347 37.513,1348 7.604,1349 53.08,1350 53.08,1351 24,1352 12.207,1353 4.248,1354 3.322,1355 45.08,1356 143,1357 139,1358 0.148,1359 217.778,1360 370.77,1361 523.14,1362 24593,1363 1.8,1364 19.891,1365 0.686,1366 0.591,1367 20.391,1368 17.146,1369 14.242,1370 0.445,1371 0.327,1372 10.015,1373 13.569,1374 9.777,1375 8.095,1376 14.531,1377 10.465,1378 12.464,1379 0.297,1380 0.187,1381 12.872,1382 7.862,1383 10.034,1384 0.197,1385 0.107,1386 10.323,1387 5.464,1388 8.036,1389 0.128,1390 0.059,1391 8.203,1392 3.707,1393 6.836,1394 0.085,1395 0.035,1396 7.071,1397 2.785,1398 0.244,1399 90.966,1400 0.212,1401 28.551,1402 0.379,1403 148,1404 361.804,1405 173.372,1406 391.008,1407 532.79,1408 368,1409 167,1410 371.919,1411 186.917,1412 390.474,1413 563.02,1414 368,1415 5.056}
{0 CHEMBL2047226,1 1.457,2 14.448,3 4.755,4 22.61,5 125.669,6 8.226,7 0.563,8 4.09,9 4.225,10 3.754,11 3.669,12 5.089,13 3.62,14 4.634,15 4.825,16 4.125,17 4.065,18 5.584,19 3.978,20 4.923,21 5.164,22 4.123,23 4.198,24 5.738,25 4.057,26 4.968,27 5.253,28 3.895,29 4.105,30 5.718,31 3.935,32 4.86,33 5.144,34 3.877,35 4.032,36 5.632,37 3.897,38 4.788,39 5.037,40 3.906,41 4.041,42 5.648,43 3.905,44 4.774,45 5.038,46 3.783,47 3.983,48 5.559,49 3.821,50 4.69,51 4.981,52 3.81,53 3.818,54 5.48,55 3.661,56 0.05,57 0.827,58 10.656,59 4.844,60 8.419,61 6.743,62 0.253,63 1.359,64 21.933,65 8.37,66 22.778,67 11.656,68 0.245,69 1.661,70 38.984,71 11.837,72 27.487,73 16.43,74 0.374,75 1.662,76 42.55,77 12.353,78 31.81,79 17.465,80 0.274,81 1.514,82 32.426,83 10.444,84 28.114,85 15.208,86 0.335,87 1.454,88 35.008,89 9.824,90 31.111,91 13.931,92 0.176,93 1.379,94 31.562,95 10.568,96 25.056,97 14.935,98 0.294,99 1.252,100 30.728,101 8.764,102 29.509,103 12.729,104 2,105 42,106 0.24,107 0.553,108 0.713,109 0.813,110 0.833,111 0.833,112 3.407,113 1.02,114 -5.94,115 -5.79,116 -5.39,119 1,121 41.8,123 2,127 4,129 1,144 10,145 2,146 1,147 1,149 1,152 1,176 10,179 1,180 5,183 3,185 4,187 13,192 2,197 2,200 7,206 7,209 2,210 1,211 3,214 4,219 3,227 6,231 2,232 3,237 5,239 8,244 2,249 4,251 2,256 6,259 1,261 4,264 3,269 4,274 1,277 4,281 1513,282 20.032,283 20.032,284 20.032,285 20.032,286 20.032,287 17.782,288 31.07,289 12.237,290 20.553,291 15.865,292 15.865,293 15.865,294 15.865,295 15.865,296 12.638,297 54.753,298 5.942,299 16.796,300 4.325,301 2.425,302 1.454,303 0.85,304 0.727,305 0.727,306 4.111,311 1,312 1,313 915,314 2.739,318 423.502,325 2.464,326 14.295,329 0.75,330 0.67,331 1,332 0.8,333 0.5,334 1,335 1,336 0.82,337 60.25,338 419,339 4.097,340 3.038,341 5.708,342 3.729,343 2.791,344 3.684,345 0.916,346 8.072,347 2.634,348 4.002,349 2.96,350 5.585,351 3.635,352 2.682,353 3.606,354 0.657,355 7.708,356 2.56,357 3.939,358 2.866,359 5.427,360 3.56,361 2.603,362 3.456,363 0.4,364 7.206,365 2.493,366 3.618,367 2.667,368 5.305,369 3.405,370 2.436,371 2.764,372 0.172,373 6.878,374 2.346,375 3.437,376 2.505,377 5.02,378 3.09,379 2.171,380 2.673,382 6.057,383 1.993,384 3.326,385 2.33,386 4.886,387 2.962,388 2.058,389 2.505,391 5.684,392 1.767,393 3.055,394 1.98,395 4.766,396 2.77,397 1.838,398 2.16,400 5.316,401 1.668,402 2.81,403 1.516,404 3.592,405 2.408,406 1.415,407 1.901,409 3.039,410 1.403,411 2.664,412 1.27,413 3.507,414 2.157,415 1.213,416 1.733,418 2.665,419 1.141,420 2.5,421 1.077,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2,439 1,440 3.247,441 1.984,442 1,443 1,445 2.136,446 0.983,447 1.894,448 0.985,449 3.197,450 1.61,451 0.695,452 0.807,454 1.624,455 0.615,456 1.412,457 0.483,458 2.989,459 1.24,460 0.288,461 0.314,463 0.73,464 0.273,465 1.157,466 0.374,467 2.699,468 0.801,469 -0.126,470 -0.153,472 -0.281,473 -0.081,474 14.833,475 0.511,476 0.516,477 0.018,478 37.75,479 1.302,480 19,481 0.655,482 18.75,483 0.647,484 24.857,485 0.857,486 30.167,487 0.548,488 23.82,489 0.821,490 7.149,491 0.247,492 7.093,493 0.245,494 0.09,496 0.229,501 0.946,502 1.356,503 0.526,504 0.915,505 0.827,506 0.926,507 1.015,508 1.057,509 0.618,510 0.895,511 0.744,512 0.989,513 1.179,514 1.189,515 0.881,516 1.052,517 1.018,518 1.086,519 1.037,520 0.943,521 0.707,522 0.905,523 1.001,524 0.972,525 1.128,526 0.918,527 0.372,528 0.692,529 1.138,530 0.8,531 1.223,532 0.958,533 0.826,534 0.983,535 1.416,536 1.045,537 0.831,538 1.19,539 0.6,540 1.015,541 0.92,542 1.069,543 1.128,544 0.925,545 0.566,546 0.782,547 1.051,548 0.864,549 5.5,550 0.062,551 1.778,552 0.938,553 1.178,554 0.375,555 0.442,556 0.286,557 0.225,558 0.152,559 13372,560 32773,561 2.154,562 47.3,564 19,566 1,567 2,570 4,572 1.712,573 2.096,574 3.806,575 0.194,582 80.112,583 1.457,584 3.356,585 4.327,586 4.931,587 5.054,588 5.054,589 3.263,590 4.444,591 4.826,592 3.976,593 1614.29,594 8.368,595 23681,597 1,600 317.975,601 1,602 4.824,603 0.172,604 0.003,605 0.042,606 0.024,607 0.037,608 0.011,609 0.013,610 0.01,611 0.009,612 0.006,613 0.327,614 0.33,615 0.88,616 0.335,617 152.308,618 -0.023,619 -0.173,620 0.008,621 -0.03,622 0.031,623 0.007,624 0.109,625 0.08,626 -0.002,627 -0.021,628 0.185,629 -0.07,630 -0.129,631 -0.167,632 -0.054,633 -0.121,634 -0.072,635 -0.132,636 0.034,637 0.027,638 -0.02,639 -0.016,640 -0.02,641 -0.023,642 -0.079,643 0.067,644 0.058,645 0.137,646 -0.073,647 0.133,648 -0.079,649 0.084,650 -0.075,651 -0.083,652 -0.238,653 -0.109,654 0.01,655 -0.232,656 -0.006,657 -0.118,658 -0.007,659 -0.099,660 0.023,661 0.052,662 0.079,663 0.086,664 0.052,665 0.073,666 0.965,667 1.63,668 0.828,669 36.685,670 0.99,671 1.125,672 4.71,673 22.18,674 0.686,675 3.497,676 3.761,677 3.951,678 4.159,679 4.394,680 4.304,681 4.407,682 4.554,683 4.644,684 4.71,685 8.253,686 0.635,687 452.44,688 3.497,689 5.004,690 5.814,691 6.65,692 7.471,693 8.309,694 9.134,695 9.972,696 10.8,697 11.638,698 9.1,701 1,703 2,708 2,715 11,716 2,720 5,722 18,734 2,740 1,741 55,743 18,744 2,745 32,746 1,747 58,748 23,749 16,750 3,751 9,756 4,757 4,767 3,770 3,772 16,773 7,793 26,794 5,795 2,796 6,797 1,802 5,808 1,823 1,829 4,855 1,859 4,863 1,868 29,876 6,877 2,880 1,881 1,892 1,901 13.833,902 9.493,903 6.417,904 3.33,907 3.024,908 1.398,909 1,910 7.017,911 10.629,912 3.738,913 4.256,914 4.712,915 5.182,916 5.672,917 5.512,918 5.681,919 6.021,920 6.338,921 6.617,922 0.9,923 39,924 10.703,926 4.414,927 0.026,929 7.445,931 21.146,933 17.339,936 1.945,937 56.417,940 1,941 282.506,942 130.955,943 118.671,948 176.909,949 282.506,950 72.717,952 13.492,953 94.762,954 81.364,955 21.598,956 4.227,957 270.735,958 45.954,959 282.506,960 203.672,963 45.954,964 235.422,965 47.084,968 27.563,969 106.517,970 69.593,971 45.954,972 282.506,973 72.717,974 176.909,977 282.506,978 27.145,979 106.934,980 81.976,981 33.571,982 282.506,983 72.717,984 176.909,986 0.568,987 0.313,988 0.164,989 0.095,990 19,991 7,992 0.121,993 7,995 1,996 4.378,997 236.651,999 24,1000 128.881,1005 20.18,1006 10.084,1007 6.185,1009 72.717,1010 22.703,1011 9.035,1015 5.225,1017 36.022,1018 532.132,1019 41,1031 54.458,1032 61.9,1034 0.252,1035 0.581,1036 0.748,1037 0.853,1038 0.874,1039 0.874,1040 4.938,1041 1.415,1042 5.746,1043 5.316,1044 4.443,1045 4.942,1046 1.305,1047 6.431,1048 4.334,1049 6.084,1050 1.213,1051 7.217,1052 3.039,1053 3.761,1054 4.388,1055 0.325,1056 6.986,1057 3.521,1058 7.333,1059 1,1060 8.774,1061 2.665,1062 5.922,1063 6.973,1064 0.868,1065 10.011,1066 5.712,1067 8.607,1068 1,1069 10.379,1070 2.275,1071 6.019,1072 7.176,1073 0.393,1074 11.335,1075 5.689,1076 9.908,1077 1,1078 12.014,1079 2.275,1080 7.612,1081 9.245,1082 0.627,1083 13.819,1084 7.306,1085 11.226,1086 0.695,1087 13.668,1088 2.136,1089 8.099,1090 9.833,1091 0.384,1092 15.49,1093 7.69,1094 12.558,1095 0.288,1096 15.335,1097 1.624,1098 9.415,1099 11.636,1100 0.482,1101 17.746,1102 9.013,1103 2.791,1104 -0.126,1105 17.011,1106 0.73,1107 10.12,1108 12.455,1109 0.351,1110 19.597,1111 9.628,1112 2.682,1113 8.072,1114 18.694,1115 -0.281,1116 11.289,1117 14.094,1118 0.387,1119 21.746,1120 10.788,1121 2.603,1122 7.708,1123 20.382,1124 3.684,1125 12.12,1126 15.062,1127 0.312,1128 23.694,1129 11.539,1130 2.436,1131 7.206,1132 22.074,1133 3.606,1134 13.208,1135 16.591,1136 0.319,1137 25.794,1138 12.605,1139 2.171,1140 6.878,1141 23.77,1142 3.456,1143 14.112,1144 17.66,1145 0.273,1146 27.794,1147 13.437,1148 2.058,1149 6.057,1150 25.469,1151 2.764,1152 15.158,1153 19.114,1154 0.267,1155 29.872,1156 14.45,1157 1.838,1158 5.684,1159 27.17,1160 2.673,1161 16.104,1162 20.251,1163 0.236,1164 31.901,1165 15.329,1166 12475,1167 19701,1168 22.246,1169 37.756,1170 46.629,1171 46.817,1172 46.761,1173 46.675,1174 46.383,1175 59.207,1176 4.292,1177 123.326,1178 43.751,1179 5.097,1180 5.038,1181 5.51,1182 4.802,1183 4.791,1184 6.684,1185 1.605,1186 13.825,1187 4.634,1188 7.648,1189 1.457,1190 1.463,1191 1.461,1192 1.459,1193 1.449,1194 1.85,1195 0.134,1196 3.854,1197 1.367,1198 3.984,1199 4.036,1200 6.88,1201 3.898,1202 5.014,1203 3.887,1204 3.916,1205 3.952,1206 3.898,1207 3.857,1208 4.76,1209 3.846,1210 3.847,1211 3.892,1212 3.826,1213 3.709,1214 4.738,1215 3.72,1216 3.747,1217 3.804,1218 3.736,1219 3.598,1220 4.34,1221 3.606,1222 3.31,1223 3.393,1224 3.642,1225 3.142,1226 4.17,1227 3.123,1228 3.227,1229 3.303,1230 3.167,1231 3.077,1232 3.974,1233 3.065,1234 3.111,1235 3.206,1236 3.036,1237 2.941,1238 3.798,1239 2.91,1240 2.959,1241 3.041,1242 2.866,1243 2.779,1244 3.696,1245 2.782,1246 0.128,1247 0.095,1248 0.178,1249 0.117,1250 0.087,1251 4.097,1252 0.115,1253 3.038,1254 0.029,1255 5.708,1256 0.252,1257 3.729,1258 0.082,1259 2.791,1260 3.684,1261 0.916,1262 8.072,1263 2.634,1264 1.929,1265 1.893,1266 2.079,1267 2.072,1268 1.412,1269 2.076,1270 1.911,1271 1.885,1272 2.007,1273 2.01,1274 1.161,1275 2.015,1276 1.818,1277 1.763,1278 1.988,1279 1.952,1280 1.136,1281 1.967,1282 1.707,1283 1.654,1284 1.816,1285 1.878,1286 0.825,1287 1.874,1288 1.263,1289 1.189,1290 1.513,1291 1.508,1292 0.825,1293 1.512,1294 1.208,1295 1.142,1296 1.505,1297 1.421,1298 0.729,1299 1.441,1300 1.153,1301 1.064,1302 1.443,1303 1.376,1304 0.612,1305 1.429,1306 0.941,1307 0.862,1308 1.229,1309 1.18,1310 0.432,1311 1.205,1312 4.174,1314 5.451,1316 6.915,1318 8.455,1320 10.029,1321 3.466,1328 6.156,1329 6.894,1332 0.42,1333 2.518,1340 34.927,1341 80.112,1342 184.596,1343 238.001,1344 271.22,1345 277.975,1346 277.975,1347 36.556,1348 7.604,1349 53.08,1350 53.08,1351 24,1352 12.207,1353 4.248,1354 3.322,1355 45.08,1356 143,1357 139,1358 0.148,1359 221.359,1360 374.84,1361 531.877,1362 24593,1363 1.8,1364 19.891,1365 0.686,1366 0.62,1367 20.891,1368 17.976,1369 14.242,1370 0.445,1371 0.34,1372 10.034,1373 13.305,1374 9.777,1375 8.095,1376 14.82,1377 10.88,1378 12.464,1379 0.297,1380 0.199,1381 13.281,1382 8.342,1383 10.034,1384 0.197,1385 0.113,1386 10.612,1387 5.741,1388 8.036,1389 0.128,1390 0.061,1391 8.37,1392 3.846,1393 6.836,1394 0.085,1395 0.037,1396 7.307,1397 2.963,1398 0.244,1399 96.163,1400 0.212,1401 28.551,1402 0.379,1403 148,1404 354.256,1405 223.723,1406 391.008,1407 532.79,1408 368,1409 167,1410 368.79,1411 205.422,1412 390.474,1413 563.02,1414 368,1415 5.004}
{0 CHEMBL2047227,1 1.457,2 14.448,3 4.212,4 17.742,5 118.262,6 7.119,7 0.563,8 4.094,9 4.232,10 3.628,11 3.632,12 5.141,13 3.603,14 4.639,15 4.833,16 3.946,17 4.015,18 5.659,19 3.954,20 4.931,21 5.176,22 3.927,23 4.137,24 5.835,25 4.028,26 4.974,27 5.262,28 3.767,29 4.063,30 5.779,31 3.916,32 4.863,33 5.147,34 3.766,35 4.007,36 5.66,37 3.884,38 4.795,39 5.049,40 3.76,41 4.006,42 5.728,43 3.889,44 4.779,45 5.045,46 3.65,47 3.946,48 5.611,49 3.803,50 4.696,51 4.989,52 3.532,53 3.766,54 5.584,55 3.631,56 0.035,57 0.907,58 11.845,59 4.852,60 7.906,61 6.754,62 0.237,63 1.455,64 22.082,65 8.11,66 25.686,67 11.468,68 0.268,69 1.765,70 31.447,71 10.696,72 40.676,73 15.624,74 0.408,75 1.676,76 34.286,77 11.139,78 43.18,79 16.697,80 0.282,81 1.5,82 30.25,83 9.716,84 33.755,85 14.947,86 0.41,87 1.516,88 27.795,89 9.169,90 44.517,91 13.516,92 0.184,93 1.409,94 27.234,95 9.768,96 31.152,97 14.451,98 0.345,99 1.284,100 26.087,101 8.005,102 41.898,103 12.356,104 2,105 42,106 0.24,107 0.553,108 0.713,109 0.813,110 0.833,111 0.833,112 3.407,113 0.946,114 -5.73,115 -5.6,116 -5.22,121 41.8,123 2,127 4,129 1,144 10,145 2,146 1,147 1,149 1,152 1,176 10,179 1,180 5,183 3,185 4,187 11,192 2,197 2,200 5,206 7,209 2,210 1,211 3,214 3,219 3,227 6,231 2,232 3,237 4,239 8,244 2,249 4,251 2,256 5,259 1,261 4,264 2,269 4,274 1,277 4,281 1513,282 20.032,283 20.032,284 20.032,285 20.032,286 20.032,287 17.782,288 31.053,289 12.237,290 20.451,291 15.865,292 15.865,293 15.865,294 15.865,295 15.865,296 12.638,297 54.739,298 5.942,299 16.588,300 4.325,301 2.425,302 1.454,303 0.85,304 0.727,305 0.727,306 4.111,311 1,312 1,313 915,314 2.739,318 423.502,325 2.464,326 21.573,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 62,338 419,339 4.097,340 3.038,341 5.708,342 3.73,343 2.791,344 3.684,345 0.916,346 8.072,347 2.635,348 4.002,349 2.967,350 5.585,351 3.639,352 2.682,353 3.606,354 0.657,355 7.708,356 2.582,357 3.939,358 2.869,359 5.427,360 3.571,361 2.603,362 3.456,363 0.4,364 7.206,365 2.506,366 3.618,367 2.67,368 5.305,369 3.407,370 2.436,371 2.764,372 0.172,373 6.878,374 2.353,375 3.437,376 2.507,377 5.02,378 3.104,379 2.171,380 2.673,382 6.057,383 2.013,384 3.326,385 2.331,386 4.886,387 3.003,388 2.058,389 2.505,391 5.684,392 1.929,393 3.055,394 1.98,395 4.766,396 2.774,397 1.838,398 2.16,400 5.316,401 1.715,402 2.81,403 1.516,404 3.592,405 2.408,406 1.415,407 1.901,409 3.039,410 1.403,411 2.664,412 1.27,413 3.507,414 2.158,415 1.213,416 1.733,418 2.665,419 1.143,420 2.5,421 1.077,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2,439 1,440 3.247,441 1.984,442 1,443 1,445 2.136,446 0.983,447 1.894,448 0.988,449 3.197,450 1.622,451 0.695,452 0.807,454 1.624,455 0.641,456 1.412,457 0.483,458 2.989,459 1.24,460 0.288,461 0.314,463 0.73,464 0.273,465 1.157,466 0.381,467 2.699,468 0.806,469 -0.126,470 -0.153,472 -0.281,473 -0.113,474 13.786,475 0.475,476 0.516,477 0.018,478 38,479 1.31,480 19,481 0.655,482 19,483 0.655,484 22.652,485 0.781,486 31.214,487 0.568,488 26.026,489 0.897,490 7.551,491 0.26,492 6.691,493 0.231,494 0.021,496 0.247,499 1,501 0.734,502 1.251,503 0.817,504 1.097,505 0.566,506 0.989,507 0.803,508 1.035,509 0.989,510 1.072,511 0.555,512 1.056,513 1.031,514 1.133,515 1.088,516 1.115,517 0.861,518 1.106,519 0.853,520 0.86,521 1.007,522 0.949,523 0.724,524 0.986,525 0.729,526 0.809,527 0.874,528 0.832,529 0.493,530 0.853,531 0.967,532 0.818,533 1.131,534 0.962,535 0.907,536 1.043,537 0.678,538 1.056,539 0.979,540 1.137,541 0.608,542 1.11,543 0.796,544 0.831,545 0.936,546 0.883,547 0.578,548 0.911,549 5.5,550 0.062,551 1.778,552 0.938,553 1.178,554 0.375,555 0.442,556 0.286,557 0.225,558 0.152,559 13372,560 32773,561 2.154,562 47.3,564 19,566 1,567 2,570 4,572 1.712,573 2.096,574 3.806,575 0.194,577 1,582 80.112,583 1.457,584 3.356,585 4.327,586 4.931,587 5.054,588 5.054,589 3.263,590 4.444,591 4.826,592 3.976,593 1614.29,594 8.368,595 23681,597 1,599 1,600 317.975,601 1,602 4.824,603 0.172,604 0.003,605 0.042,606 0.024,607 0.037,608 0.011,609 0.013,610 0.01,611 0.009,612 0.006,613 0.327,614 0.33,615 0.88,616 0.335,617 152.308,618 -0.028,619 -0.154,620 0.053,621 -0.041,622 -0.007,623 0.007,624 0.05,625 0.006,626 -0.065,627 -0.084,628 0.086,629 -0.094,630 -0.102,631 -0.155,632 -0.121,633 -0.145,634 -0.028,635 -0.137,636 -0.001,637 0.011,638 -0.019,639 -0.013,640 -0.026,641 -0.019,642 -0.039,643 0.009,644 0.093,645 0.104,646 -0.011,647 0.119,648 -0.032,649 0.15,650 -0.161,651 -0.012,652 -0.087,653 -0.087,654 0.001,655 -0.198,656 -0.031,657 -0.152,658 -0.008,659 -0.108,660 0.074,661 0.028,662 0.06,663 0.035,664 0.112,665 0.044,666 1.892,667 5.006,668 0.828,669 36.685,670 0.995,671 1.135,672 4.5,673 20.251,674 0.661,675 3.497,676 3.761,677 3.951,678 4.159,679 4.394,680 4.304,681 4.407,682 4.554,683 4.644,684 4.71,685 8.253,686 0.623,687 391.54,688 3.497,689 5.004,690 5.814,691 6.65,692 7.471,693 8.309,694 9.134,695 9.972,696 10.8,697 11.638,698 9.1,701 1,703 2,708 2,715 11,716 2,720 5,722 18,734 2,740 1,741 55,743 18,744 2,745 32,747 58,748 23,749 16,750 3,751 9,756 4,757 4,767 3,770 3,772 16,773 7,790 1,791 1,793 26,794 6,795 2,796 6,802 5,808 1,823 1,829 4,855 1,859 4,866 1,868 29,876 6,877 2,880 1,881 1,892 1,901 13.833,902 9.493,903 6.417,904 3.33,907 3.024,908 1.398,909 0.997,910 6.58,911 10.629,912 3.738,913 4.256,914 4.712,915 5.182,916 5.672,917 5.512,918 5.681,919 6.021,920 6.338,921 6.617,922 0.9,923 39,924 10.724,926 4.482,927 0.026,929 7.626,931 20.896,933 17.146,936 2.126,937 61.667,939 1,940 1,941 282.506,942 137.021,943 72.717,946 14.96,948 137.021,949 282.506,950 87.677,952 13.492,953 94.762,954 81.364,955 27.664,956 19.187,957 270.735,959 282.506,960 209.738,961 14.96,964 250.382,965 47.084,968 27.563,969 112.583,970 69.593,972 297.467,973 72.717,974 137.021,977 282.506,978 33.211,979 106.934,980 36.022,981 48.531,982 282.506,983 87.677,984 137.021,986 0.568,987 0.313,988 0.164,989 0.095,990 19,991 7,992 0.121,993 7,995 1,996 4.378,997 236.651,999 24,1000 128.881,1005 19.658,1006 9.707,1007 5.913,1009 87.677,1010 20.688,1011 8.927,1015 3.55,1017 36.022,1018 507.204,1019 41,1031 54.741,1032 62.398,1034 0.252,1035 0.581,1036 0.748,1037 0.853,1038 0.874,1039 0.874,1040 4.938,1041 1.415,1042 5.746,1043 5.316,1044 4.443,1045 4.942,1046 1.305,1047 6.431,1048 4.354,1049 6.084,1050 1.213,1051 7.217,1052 3.039,1053 3.761,1054 4.388,1055 0.325,1056 6.986,1057 3.589,1058 7.333,1059 1,1060 8.774,1061 2.665,1062 5.922,1063 6.973,1064 0.868,1065 10.011,1066 5.743,1067 8.607,1068 1,1069 10.379,1070 2.275,1071 6.019,1072 7.176,1073 0.393,1074 11.335,1075 5.754,1076 9.908,1077 1,1078 12.014,1079 2.275,1080 7.612,1081 9.245,1082 0.627,1083 13.819,1084 7.344,1085 11.226,1086 0.695,1087 13.668,1088 2.136,1089 8.099,1090 9.833,1091 0.384,1092 15.49,1093 7.75,1094 12.558,1095 0.288,1096 15.335,1097 1.624,1098 9.415,1099 11.636,1100 0.482,1101 17.746,1102 9.056,1103 2.791,1104 -0.126,1105 17.011,1106 0.73,1107 10.12,1108 12.455,1109 0.351,1110 19.597,1111 9.686,1112 2.682,1113 8.072,1114 18.694,1115 -0.281,1116 11.289,1117 14.094,1118 0.387,1119 21.746,1120 10.836,1121 2.603,1122 7.708,1123 20.382,1124 3.684,1125 12.12,1126 15.062,1127 0.312,1128 23.694,1129 11.597,1130 2.436,1131 7.206,1132 22.074,1133 3.606,1134 13.208,1135 16.591,1136 0.319,1137 25.794,1138 12.658,1139 2.171,1140 6.878,1141 23.77,1142 3.456,1143 14.112,1144 17.66,1145 0.273,1146 27.794,1147 13.497,1148 2.058,1149 6.057,1150 25.469,1151 2.764,1152 15.158,1153 19.114,1154 0.267,1155 29.872,1156 14.509,1157 1.838,1158 5.684,1159 27.17,1160 2.673,1161 16.104,1162 20.251,1163 0.236,1164 31.901,1165 15.393,1166 12475,1167 19701,1168 22.246,1169 36.341,1170 46.629,1171 46.839,1172 46.761,1173 46.506,1174 46.383,1175 59.207,1176 4.292,1177 123.326,1178 44.353,1179 5.097,1180 5.038,1181 5.51,1182 4.802,1183 4.791,1184 6.684,1185 1.605,1186 13.825,1187 4.635,1188 7.648,1189 1.457,1190 1.464,1191 1.461,1192 1.453,1193 1.449,1194 1.85,1195 0.134,1196 3.854,1197 1.386,1198 3.985,1199 4.037,1200 3.915,1201 3.883,1202 8.201,1203 3.881,1204 3.919,1205 3.956,1206 3.849,1207 3.843,1208 5.013,1209 3.84,1210 3.849,1211 3.895,1212 3.793,1213 3.707,1214 4.755,1215 3.719,1216 3.748,1217 3.805,1218 3.647,1219 3.596,1220 4.64,1221 3.606,1222 3.314,1223 3.399,1224 3.205,1225 3.1,1226 4.338,1227 3.111,1228 3.232,1229 3.31,1230 3.103,1231 3.051,1232 4.138,1233 3.053,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.974,1239 2.91,1240 2.961,1241 3.043,1242 2.824,1243 2.773,1244 3.738,1245 2.779,1246 0.128,1247 0.095,1248 0.178,1249 0.117,1250 0.087,1251 4.097,1252 0.115,1253 3.038,1254 0.029,1255 5.708,1256 0.252,1257 3.73,1258 0.082,1259 2.791,1260 3.684,1261 0.916,1262 8.072,1263 2.635,1264 1.929,1265 1.893,1266 2.079,1267 2.072,1268 1.412,1269 2.076,1270 1.907,1271 1.878,1272 2.021,1273 2.019,1274 1.148,1275 2.02,1276 1.818,1277 1.763,1278 1.989,1279 1.96,1280 1.136,1281 1.969,1282 1.706,1283 1.653,1284 1.819,1285 1.884,1286 0.825,1287 1.877,1288 1.261,1289 1.185,1290 1.513,1291 1.518,1292 0.82,1293 1.516,1294 1.204,1295 1.133,1296 1.506,1297 1.434,1298 0.727,1299 1.447,1300 1.153,1301 1.064,1302 1.457,1303 1.376,1304 0.594,1305 1.429,1306 0.94,1307 0.861,1308 1.229,1309 1.181,1310 0.432,1311 1.206,1312 4.174,1314 5.451,1316 6.915,1318 8.455,1320 10.029,1324 13.006,1328 5.873,1329 6.743,1332 0.384,1333 2.495,1340 34.285,1341 80.112,1342 184.596,1343 238.001,1344 271.22,1345 277.975,1346 277.975,1347 42.292,1348 7.604,1349 53.08,1350 53.08,1351 24,1352 12.207,1353 4.248,1354 3.322,1355 45.08,1356 143,1357 139,1358 0.148,1359 210.644,1360 361.63,1361 505.731,1362 24593,1363 1.8,1364 19.891,1365 0.686,1366 0.565,1367 19.02,1368 16.39,1369 14.242,1370 0.445,1371 0.315,1372 9.96,1373 13.76,1374 9.777,1375 8.095,1376 13.848,1377 10.087,1378 12.464,1379 0.297,1380 0.177,1381 11.842,1382 7.426,1383 10.034,1384 0.197,1385 0.102,1386 9.624,1387 5.212,1388 8.036,1389 0.128,1390 0.057,1391 7.894,1392 3.581,1393 6.836,1394 0.085,1395 0.033,1396 6.552,1397 2.623,1398 0.244,1399 88.657,1400 0.212,1401 28.551,1402 0.379,1403 148,1404 421.712,1405 161.683,1406 391.008,1407 532.79,1408 368,1409 167,1410 388.39,1411 180.068,1412 390.474,1413 563.02,1414 368,1415 5.114}
{0 CHEMBL2047228,1 1.332,2 14.448,3 4.493,4 20.185,5 123.087,6 6.682,7 0.563,8 4.133,9 4.276,10 3.619,11 3.68,12 5.117,13 3.634,14 4.683,15 4.887,16 3.929,17 4.067,18 5.602,19 3.986,20 4.958,21 5.203,22 3.912,23 4.202,24 5.762,25 4.071,26 5.039,27 5.333,28 3.764,29 4.135,30 5.767,31 3.965,32 4.92,33 5.214,34 3.76,35 4.055,36 5.667,37 3.915,38 4.807,39 5.059,40 3.747,41 4.043,42 5.652,43 3.914,44 4.842,45 5.121,46 3.642,47 3.994,48 5.602,49 3.835,50 4.736,51 5.034,52 3.502,53 3.826,54 5.498,55 3.673,56 0.067,57 0.878,58 13.342,59 5.159,60 10.139,61 7.563,62 0.276,63 1.424,64 24.158,65 8.644,66 24.299,67 12.811,68 0.239,69 1.73,70 32.254,71 11.235,72 27.823,73 17.101,74 0.369,75 1.745,76 35.829,77 12.11,78 33.453,79 18.554,80 0.278,81 1.566,82 31.792,83 10.41,84 29.017,85 16.19,86 0.293,87 1.486,88 27.965,89 9.435,90 29.651,91 14.365,92 0.207,93 1.451,94 28.996,95 10.216,96 27.244,97 15.574,98 0.265,99 1.291,100 26.553,101 8.469,102 28.394,103 13.25,104 2,105 42,106 0.217,107 0.528,108 0.702,109 0.795,110 0.83,111 0.83,112 3.407,113 0.975,114 -5.57,115 -5.44,116 -5.08,121 41.4,122 1,123 2,127 4,129 1,144 10,145 3,147 1,149 1,152 1,176 13,179 1,180 5,183 3,185 4,187 15,192 2,197 2,200 8,206 7,209 2,210 1,211 3,214 4,219 3,224 1,227 6,231 2,232 3,237 5,239 8,244 3,249 4,251 3,256 6,259 1,261 4,264 3,269 5,274 2,277 4,281 1513,282 20.032,283 20.032,284 20.032,285 20.032,286 20.032,287 17.782,288 31.851,289 12.237,290 20.389,291 15.865,292 15.865,293 15.865,294 15.865,295 15.865,296 12.638,297 55.548,298 5.942,299 16.463,300 4.526,301 2.621,302 1.556,303 0.983,304 0.772,305 0.772,306 4.111,311 1,312 1,313 915,314 2.739,318 423.502,325 2.464,326 13.692,329 0.75,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.86,337 60.5,338 419,339 4.097,340 3.037,341 5.708,342 3.73,343 2.791,344 3.684,345 0.916,346 8.072,347 2.638,348 4.002,349 2.91,350 5.585,351 3.645,352 2.682,353 3.606,354 0.657,355 7.708,356 2.615,357 3.939,358 2.796,359 5.427,360 3.581,361 2.603,362 3.456,363 0.4,364 7.206,365 2.515,366 3.618,367 2.58,368 5.305,369 3.41,370 2.436,371 2.764,372 0.172,373 6.878,374 2.36,375 3.437,376 2.413,377 5.02,378 3.127,379 2.171,380 2.673,382 6.057,383 2.093,384 3.326,385 2.295,386 4.886,387 3.029,388 2.058,389 2.505,391 5.684,392 1.973,393 3.055,394 1.975,395 4.766,396 2.776,397 1.838,398 2.16,400 5.316,401 1.719,402 2.81,403 1.516,404 3.592,405 2.408,406 1.415,407 1.901,409 3.039,410 1.403,411 2.664,412 1.264,413 3.507,414 2.158,415 1.213,416 1.733,418 2.665,419 1.144,420 2.5,421 1.077,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2,439 1,440 3.247,441 1.984,442 1,443 1,445 2.136,446 0.983,447 1.894,448 0.931,449 3.197,450 1.634,451 0.695,452 0.807,454 1.624,455 0.651,456 1.412,457 0.482,458 2.989,459 1.24,460 0.288,461 0.314,463 0.73,464 0.273,465 1.157,466 0.173,467 2.699,468 0.85,469 -0.126,470 -0.153,472 -0.281,473 -0.123,474 14,475 0.483,476 0.516,477 0.018,478 37.75,479 1.302,480 19,481 0.655,482 18.75,483 0.647,484 23.507,485 0.811,486 31,487 0.534,488 25.17,489 0.868,490 7.388,491 0.255,492 6.854,493 0.236,494 0.036,496 0.243,501 1.029,502 1.388,503 0.906,504 1.114,505 0.915,506 1.018,507 1.08,508 1.056,509 1.032,510 1.03,511 0.773,512 1.027,513 1.219,514 1.234,515 1.133,516 1.16,517 1.078,518 1.142,519 1.05,520 0.955,521 1.016,522 0.976,523 1.023,524 0.99,525 1.239,526 0.906,527 0.905,528 0.812,529 1.167,530 0.824,531 1.353,532 1.008,533 1.168,534 1.035,535 1.471,536 1.076,537 0.987,538 1.131,539 1,540 1.07,541 0.985,542 1.042,543 1.281,544 0.941,545 0.983,546 0.878,547 1.117,548 0.899,549 5.5,550 0.062,551 1.778,552 0.938,553 1.178,554 0.375,555 0.442,556 0.286,557 0.225,558 0.152,559 13372,560 27415,561 2.154,562 50,563 3,564 19,566 1,567 2,570 4,572 1.712,573 2.096,574 3.806,575 0.16,577 1,582 77.233,583 1.332,584 3.237,585 4.302,586 4.875,587 5.086,588 5.086,589 3.263,590 4.444,591 4.826,592 3.976,593 1614.29,594 8.368,595 23681,597 1,600 339.763,601 1,602 4.824,603 0.172,604 0.003,605 0.042,606 0.024,607 0.037,608 0.011,609 0.013,610 0.01,611 0.009,612 0.006,613 0.327,614 0.33,615 0.88,616 0.335,617 152.308,618 0.007,619 -0.173,620 0.064,621 -0.04,622 0.03,623 0.008,624 0.166,625 0.088,626 -0.037,627 -0.031,628 0.208,629 -0.049,630 -0.117,631 -0.191,632 -0.146,633 -0.177,634 -0.107,635 -0.166,636 0.075,637 0.005,638 -0.018,639 -0.032,640 -0.022,641 -0.033,642 -0.071,643 0.065,644 0.1,645 0.13,646 -0.055,647 0.131,648 -0.104,649 0.051,650 -0.167,651 -0.075,652 -0.237,653 -0.118,654 -0.01,655 -0.169,656 -0.017,657 -0.095,658 -0.01,659 -0.063,660 -0.034,661 0.03,662 0.028,663 0.046,664 0.016,665 0.043,666 0.958,667 1.639,668 0.828,669 36.685,670 0.985,671 1.129,672 4.337,673 18.812,674 0.658,675 3.497,676 3.761,677 3.951,678 4.159,679 4.394,680 4.304,681 4.407,682 4.554,683 4.644,684 4.71,685 8.253,686 0.611,687 387.58,688 3.497,689 5.004,690 5.814,691 6.65,692 7.471,693 8.309,694 9.134,695 9.972,696 10.8,697 11.638,698 8.6,701 1,703 2,708 2,715 11,716 2,720 5,722 18,734 2,741 58,743 18,744 2,745 32,747 61,748 24,749 16,750 3,751 9,756 4,757 4,763 1,767 3,770 3,772 16,773 8,790 1,793 29,794 5,795 2,796 5,802 5,808 1,823 1,829 4,855 1,859 4,864 1,868 29,876 6,877 2,880 1,881 1,901 13.833,902 10.35,903 6.417,904 3.544,907 3.024,908 1.398,909 0.992,910 6.631,911 10.629,912 3.738,913 4.256,914 4.712,915 5.182,916 5.672,917 5.512,918 5.681,919 6.021,920 6.338,921 6.617,922 0.9,923 39,924 10.716,926 4.41,927 0.026,929 7.42,931 21.25,933 17.42,936 1.92,937 55.667,940 1,941 317.82,942 139.911,943 72.717,948 139.911,949 317.82,950 72.717,951 8.825,952 13.492,953 94.762,954 81.364,955 21.728,956 4.227,957 306.049,959 317.82,960 212.628,964 270.735,965 47.084,968 36.388,969 106.647,970 69.593,972 317.82,973 72.717,974 139.911,977 317.82,978 27.276,979 115.759,980 36.022,981 33.571,982 317.82,983 72.717,984 139.911,986 0.568,987 0.313,988 0.164,989 0.095,990 19,991 7,992 0.115,993 7,995 1,996 4.378,997 236.651,999 24,1000 128.881,1005 19.72,1006 9.752,1007 5.945,1009 72.717,1010 22.991,1011 9.05,1015 5.464,1017 36.022,1018 530.447,1019 41,1031 57.112,1032 65.474,1034 0.227,1035 0.553,1036 0.734,1037 0.832,1038 0.868,1039 0.868,1040 4.938,1041 1.415,1042 5.746,1043 5.316,1044 4.443,1045 4.942,1046 1.305,1047 6.431,1048 4.37,1049 6.084,1050 1.213,1051 7.217,1052 3.039,1053 3.761,1054 4.388,1055 0.325,1056 6.986,1057 3.638,1058 7.333,1059 1,1060 8.774,1061 2.665,1062 5.922,1063 6.973,1064 0.868,1065 10.011,1066 5.771,1067 8.607,1068 1,1069 10.379,1070 2.275,1071 6.019,1072 7.176,1073 0.393,1074 11.335,1075 5.813,1076 9.908,1077 1,1078 12.014,1079 2.275,1080 7.612,1081 9.245,1082 0.627,1083 13.819,1084 7.384,1085 11.226,1086 0.695,1087 13.668,1088 2.136,1089 8.099,1090 9.833,1091 0.384,1092 15.49,1093 7.814,1094 12.558,1095 0.288,1096 15.335,1097 1.624,1098 9.415,1099 11.636,1100 0.482,1101 17.746,1102 9.107,1103 2.791,1104 -0.126,1105 17.011,1106 0.73,1107 10.12,1108 12.455,1109 0.351,1110 19.597,1111 9.755,1112 2.682,1113 8.072,1114 18.694,1115 -0.281,1116 11.289,1117 14.094,1118 0.387,1119 21.746,1120 10.897,1121 2.603,1122 7.708,1123 20.382,1124 3.684,1125 12.12,1126 15.062,1127 0.312,1128 23.694,1129 11.672,1130 2.436,1131 7.206,1132 22.074,1133 3.606,1134 13.208,1135 16.591,1136 0.319,1137 25.794,1138 12.729,1139 2.171,1140 6.878,1141 23.77,1142 3.456,1143 14.112,1144 17.66,1145 0.273,1146 27.794,1147 13.579,1148 2.058,1149 6.057,1150 25.469,1151 2.764,1152 15.158,1153 19.114,1154 0.267,1155 29.872,1156 14.59,1157 1.838,1158 5.684,1159 27.17,1160 2.673,1161 16.104,1162 20.251,1163 0.236,1164 31.901,1165 15.483,1166 12475,1167 17985,1168 22.246,1169 38.165,1170 46.629,1171 46.36,1172 46.761,1173 46.408,1174 46.383,1175 59.207,1176 4.292,1177 123.326,1178 44.731,1179 5.097,1180 5.037,1181 5.51,1182 4.803,1183 4.791,1184 6.684,1185 1.605,1186 13.825,1187 4.638,1188 7.648,1189 1.457,1190 1.449,1191 1.461,1192 1.45,1193 1.449,1194 1.85,1195 0.134,1196 3.854,1197 1.398,1198 3.99,1199 4.041,1200 3.915,1201 3.898,1202 5.014,1203 3.894,1204 3.925,1205 3.963,1206 3.849,1207 3.856,1208 4.759,1209 3.849,1210 3.853,1211 3.9,1212 3.793,1213 3.709,1214 4.734,1215 3.721,1216 3.75,1217 3.808,1218 3.648,1219 3.598,1220 4.34,1221 3.607,1222 3.355,1223 3.438,1224 3.222,1225 3.184,1226 4.175,1227 3.178,1228 3.258,1229 3.338,1230 3.117,1231 3.081,1232 3.974,1233 3.08,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.864,1239 2.91,1240 3.014,1241 3.113,1242 2.851,1243 2.797,1244 3.717,1245 2.804,1246 0.128,1247 0.095,1248 0.178,1249 0.117,1250 0.087,1251 4.097,1252 0.115,1253 3.037,1254 0.029,1255 5.708,1256 0.252,1257 3.73,1258 0.082,1259 2.791,1260 3.684,1261 0.916,1262 8.072,1263 2.638,1264 1.937,1265 1.907,1266 2.079,1267 2.073,1268 1.412,1269 2.076,1270 1.928,1271 1.892,1272 2.062,1273 2.029,1274 1.194,1275 2.04,1276 1.819,1277 1.764,1278 1.99,1279 1.965,1280 1.137,1281 1.973,1282 1.711,1283 1.656,1284 1.83,1285 1.889,1286 0.865,1287 1.885,1288 1.34,1289 1.269,1290 1.614,1291 1.563,1292 0.825,1293 1.58,1294 1.242,1295 1.168,1296 1.513,1297 1.464,1298 0.746,1299 1.483,1300 1.153,1301 1.064,1302 1.499,1303 1.376,1304 0.698,1305 1.429,1306 0.996,1307 0.899,1308 1.347,1309 1.276,1310 0.444,1311 1.308,1312 4.174,1314 5.451,1316 6.915,1318 8.455,1320 10.029,1322 2.103,1328 6.196,1329 6.915,1332 0.425,1333 2.522,1340 35.429,1341 77.233,1342 187.735,1343 249.524,1344 282.743,1345 295.008,1346 295.008,1347 36.376,1348 7.604,1349 53.08,1350 53.08,1351 24,1352 12.207,1353 4.248,1354 3.322,1355 45.08,1356 143,1357 139,1358 0.148,1359 219.038,1360 372.86,1361 526.213,1362 24593,1364 19.891,1365 0.686,1366 0.587,1367 19.891,1368 17.012,1369 14.242,1370 0.445,1371 0.325,1372 10.297,1373 13.878,1374 10.02,1375 8.353,1376 14.242,1377 10.398,1378 12.464,1379 0.297,1380 0.185,1381 12.464,1382 7.785,1383 10.034,1384 0.197,1385 0.106,1386 10.034,1387 5.42,1388 8.036,1389 0.128,1390 0.058,1391 8.036,1392 3.685,1393 6.836,1394 0.085,1395 0.034,1396 6.836,1397 2.757,1398 0.244,1399 87.791,1400 0.212,1401 28.551,1402 0.379,1403 148,1404 335.601,1405 157.852,1406 337.772,1407 473.99,1408 320,1409 167,1410 355.056,1411 177.158,1412 365.684,1413 525.94,1414 344,1415 4.889}
{0 CHEMBL2047229,1 1.433,2 15.1,3 3.99,4 15.922,5 124.509,6 6.84,7 0.545,8 4.159,9 4.295,10 3.663,11 3.677,12 5.173,13 3.645,14 4.706,15 4.903,16 3.963,17 4.055,18 5.655,19 3.99,20 4.961,21 5.199,22 3.96,23 4.192,24 5.793,25 4.079,26 5.035,27 5.315,28 3.82,29 4.15,30 5.802,31 3.997,32 4.964,33 5.252,34 3.8,35 4.095,36 5.723,37 3.955,38 4.865,39 5.124,40 3.782,41 4.062,42 5.707,43 3.934,44 4.825,45 5.086,46 3.683,47 3.998,48 5.617,49 3.85,50 4.785,51 5.085,52 3.557,53 3.837,54 5.57,55 3.693,56 0.055,57 0.887,58 13.41,59 5.207,60 10.433,61 7.454,62 0.311,63 1.416,64 24.697,65 8.563,66 27.482,67 12.402,68 0.264,69 1.708,70 32.385,71 10.974,72 29.793,73 16.555,74 0.395,75 1.735,76 35.823,77 11.874,78 35.164,79 18.101,80 0.294,81 1.616,82 33.303,83 10.876,84 31.604,85 16.916,86 0.392,87 1.517,88 29.919,89 9.898,90 34.329,91 14.986,92 0.188,93 1.43,94 28.368,95 10.071,96 26.572,97 15.221,98 0.362,99 1.318,100 28.367,101 8.524,102 34.262,103 13.507,104 3,105 43,106 0.233,107 0.545,108 0.723,109 0.815,110 0.833,111 0.833,112 3.439,113 0.955,114 -5.06,115 -4.96,116 -4.65,121 40.7,123 2,126 1,127 4,129 1,144 10,145 2,146 1,147 1,149 1,152 1,176 10,179 1,180 7,183 3,185 4,187 11,192 4,197 2,200 5,206 8,209 2,210 1,211 3,214 3,219 3,227 6,231 2,232 3,235 1,237 4,239 8,244 2,249 4,251 2,255 1,256 6,259 1,261 4,264 2,269 4,274 1,277 4,281 1692,282 20.903,283 20.903,284 20.903,285 20.903,286 20.903,287 18.704,288 33.739,289 12.735,290 21.438,291 16.293,292 16.293,293 16.293,294 16.293,295 16.293,296 13.06,297 58.728,298 6.081,299 17.081,300 4.45,301 2.53,302 1.436,303 0.873,304 0.759,305 0.759,306 4.144,311 1,312 1,313 985,314 2.915,318 442.364,325 2.573,326 15.839,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 63.5,338 453,339 4.099,340 3.038,341 5.708,342 3.73,343 2.791,344 3.686,345 0.916,346 8.072,347 2.636,348 4.024,349 2.937,350 5.585,351 3.65,352 2.688,353 3.624,354 0.86,355 7.709,356 2.601,357 3.939,358 2.854,359 5.483,360 3.587,361 2.628,362 3.456,363 0.657,364 7.352,365 2.512,366 3.62,367 2.659,368 5.321,369 3.412,370 2.441,371 2.793,372 0.4,373 6.927,374 2.357,375 3.484,376 2.505,377 5.109,378 3.154,379 2.213,380 2.699,381 0.172,382 6.281,383 2.074,384 3.336,385 2.331,386 5.005,387 3.042,388 2.098,389 2.507,391 6.01,392 1.97,393 3.055,394 1.981,395 4.772,396 2.778,397 1.842,398 2.16,400 5.331,401 1.72,402 2.81,403 1.516,404 3.592,405 2.408,406 1.415,407 1.901,409 3.039,410 1.403,411 2.664,412 1.298,413 3.508,414 2.16,415 1.215,416 1.733,418 2.667,419 1.144,420 2.5,421 1.177,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1.077,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2,439 1,440 3.247,441 1.984,442 1,443 1,445 2.136,446 0.983,447 1.955,448 1,449 3.23,450 1.694,451 0.78,452 0.887,454 1.709,455 0.708,456 1.583,457 0.805,458 2.993,459 1.305,460 0.427,461 0.48,463 0.739,464 0.372,465 1.412,466 0.481,467 2.724,468 1.24,469 0.288,470 0.314,472 0.683,473 0.273,474 14.333,475 0.478,476 0.478,477 0.016,478 39.25,479 1.308,480 19.5,481 0.65,482 19.75,483 0.658,484 23.863,485 0.795,486 32.467,487 0.55,488 27.051,489 0.902,490 7.832,491 0.261,492 6.948,493 0.232,494 0.035,496 0.237,501 0.973,502 1.434,503 0.875,504 1.161,505 0.861,506 1.028,507 1.238,508 1.04,509 1.042,510 1.002,511 0.908,512 1.002,513 1.116,514 1.217,515 1.098,516 1.127,517 0.99,518 1.109,519 0.931,520 0.987,521 1.046,522 1.009,523 0.989,524 1.032,525 0.859,526 0.948,527 0.907,528 0.872,529 1.017,530 0.88,531 1.043,532 0.91,533 1.099,534 0.95,535 1.269,536 1.012,537 0.773,538 1.257,539 1.022,540 1.186,541 0.879,542 1.14,543 0.99,544 0.876,545 0.952,546 0.831,547 0.97,548 0.865,549 5.5,550 0.07,551 1.778,552 0.938,553 1.218,554 0.438,555 0.442,556 0.286,557 0.225,558 0.153,559 14689,560 32870,561 2.148,562 49.2,564 22,566 1,567 2,570 4,572 1.721,573 2.093,574 3.865,575 0.177,577 1,582 84.546,583 1.433,584 3.353,585 4.447,586 5.01,587 5.124,588 5.124,589 3.397,590 4.507,591 4.874,592 4.037,593 1755.89,594 8.464,595 26585.8,597 1,600 347.076,601 0.982,602 4.873,603 0.167,604 0.003,605 0.041,606 0.023,607 0.036,608 0.013,609 0.013,610 0.01,611 0.009,612 0.006,613 0.319,614 0.17,615 1,616 0.491,617 159.656,618 -0.009,619 -0.211,620 0.067,621 -0.075,622 0.047,623 -0.007,624 0.013,625 0.101,626 -0.052,627 -0.004,628 0.122,629 -0.035,630 -0.115,631 -0.168,632 -0.12,633 -0.141,634 -0.057,635 -0.132,636 0.006,637 -0.007,638 -0.058,639 -0.057,640 -0.055,641 -0.065,642 -0.041,643 0.025,644 0.076,645 0.08,646 -0.068,647 0.093,648 -0.024,649 0.125,650 -0.11,651 0.009,652 -0.17,653 -0.049,654 -0.002,655 -0.276,656 -0.06,657 -0.19,658 -0.012,659 -0.143,660 0.042,661 0.092,662 0.058,663 0.079,664 0.072,665 0.076,666 0.976,667 1.704,668 0.8,669 39.387,670 0.991,671 1.13,672 3.833,673 14.694,674 0.655,675 3.526,676 3.784,677 3.989,678 4.19,679 4.419,680 4.357,681 4.454,682 4.575,683 4.682,684 4.745,685 8.564,686 0.613,687 403.58,688 3.526,689 5.03,690 5.844,691 6.678,692 7.502,693 8.339,694 9.166,695 10.004,696 10.833,697 11.671,698 8.5,701 1,703 2,708 2,715 11,716 2,720 5,722 18,734 2,739 1,741 59,743 18,744 2,745 33,747 62,748 24,749 16,750 3,751 9,756 4,757 4,767 3,770 3,772 16,773 8,790 1,793 29,794 6,795 2,796 6,802 5,808 1,809 1,823 1,829 4,855 1,859 4,864 1,868 30,876 6,877 2,878 1,880 1,881 1,893 1.7,898 1,901 14.333,902 10.517,903 6.75,904 3.503,907 3.052,908 1.397,909 0.982,910 7.169,911 10.744,912 3.761,913 4.27,914 4.738,915 5.207,916 5.695,917 5.578,918 5.753,919 6.037,920 6.373,921 6.656,922 1,923 41,924 11.066,926 4.533,927 0.026,929 7.472,931 21.785,933 17.664,936 1.972,937 59.167,940 1,941 317.82,942 144.026,943 72.717,945 11,948 144.026,949 328.82,950 72.717,951 10.883,952 13.492,953 94.762,954 81.364,955 34.786,956 4.227,957 306.049,959 317.82,960 216.743,961 11,964 270.735,965 58.084,968 27.563,969 119.588,970 69.593,972 317.82,973 83.717,974 144.026,977 317.82,978 29.333,979 117.817,980 36.022,981 44.571,982 317.82,983 83.717,984 144.026,986 0.563,987 0.318,988 0.167,989 0.094,990 19,991 7,992 0.129,993 8,995 1,996 4.469,997 246.825,999 24,1000 135.207,1005 20.641,1006 10.419,1007 6.186,1009 83.717,1010 22.415,1011 9.036,1015 4.931,1017 36.022,1018 545.563,1019 42,1031 58.44,1032 66.683,1034 0.244,1035 0.57,1036 0.756,1037 0.852,1038 0.871,1039 0.871,1040 4.959,1041 1.415,1042 5.771,1043 5.331,1044 4.466,1045 4.956,1046 1.642,1047 6.46,1048 4.376,1049 6.1,1050 1.215,1051 7.245,1052 3.039,1053 3.761,1054 4.388,1055 0.325,1056 7.034,1057 3.606,1058 7.348,1059 1,1060 8.805,1061 2.667,1062 5.948,1063 6.986,1064 1.246,1065 10.053,1066 5.767,1067 8.623,1068 1,1069 10.414,1070 2.275,1071 6.043,1072 7.193,1073 0.393,1074 11.398,1075 5.789,1076 9.925,1077 1,1078 12.052,1079 2.275,1080 7.643,1081 9.26,1082 0.987,1083 13.87,1084 7.373,1085 11.245,1086 0.78,1087 13.711,1088 2.136,1089 8.132,1090 9.856,1091 0.384,1092 15.554,1093 7.79,1094 12.579,1095 0.427,1096 15.381,1097 1.709,1098 9.449,1099 11.654,1100 0.797,1101 17.801,1102 9.09,1103 2.791,1104 0.288,1105 17.061,1106 0.739,1107 10.158,1108 12.481,1109 0.351,1110 19.659,1111 9.728,1112 2.688,1113 8.072,1114 18.747,1115 0.683,1116 11.325,1117 14.114,1118 0.65,1119 21.802,1120 10.873,1121 2.628,1122 7.709,1123 20.438,1124 3.686,1125 12.16,1126 15.091,1127 0.312,1128 23.753,1129 11.641,1130 2.441,1131 7.352,1132 22.132,1133 3.624,1134 13.247,1135 16.615,1136 0.532,1137 25.848,1138 12.7,1139 2.213,1140 6.927,1141 23.83,1142 3.456,1143 14.154,1144 17.691,1145 0.273,1146 27.849,1147 13.544,1148 2.098,1149 6.281,1150 25.53,1151 2.793,1152 15.199,1153 19.142,1154 0.437,1155 29.923,1156 14.555,1157 1.842,1158 6.01,1159 27.233,1160 2.699,1161 16.147,1162 20.285,1163 0.236,1164 31.952,1165 15.444,1166 13764,1167 20722,1168 22.94,1169 38.62,1170 47.781,1171 47.974,1172 48.189,1173 47.65,1174 47.653,1175 60.484,1176 6.012,1177 126.405,1178 45.506,1179 5.099,1180 5.038,1181 5.51,1182 4.803,1183 4.791,1184 6.686,1185 1.776,1186 13.826,1187 4.636,1188 7.922,1189 1.448,1190 1.454,1191 1.46,1192 1.444,1193 1.444,1194 1.833,1195 0.182,1196 3.83,1197 1.379,1198 3.987,1199 4.038,1200 3.914,1201 3.884,1202 5.015,1203 3.883,1204 3.919,1205 3.955,1206 3.847,1207 3.844,1208 4.861,1209 3.84,1210 3.85,1211 3.895,1212 3.792,1213 3.707,1214 4.754,1215 3.719,1216 3.749,1217 3.805,1218 3.647,1219 3.596,1220 4.404,1221 3.606,1222 3.355,1223 3.424,1224 3.232,1225 3.121,1226 4.332,1227 3.137,1228 3.265,1229 3.341,1230 3.126,1231 3.074,1232 4.117,1233 3.075,1234 3.123,1235 3.218,1236 2.929,1237 2.941,1238 3.974,1239 2.91,1240 3.111,1241 3.206,1242 2.866,1243 2.859,1244 3.737,1245 2.857,1246 0.124,1247 0.092,1248 0.173,1249 0.113,1250 0.085,1251 4.099,1252 0.112,1253 3.038,1254 0.028,1255 5.708,1256 0.245,1257 3.73,1258 0.08,1259 2.791,1260 3.686,1261 0.916,1262 8.072,1263 2.636,1264 1.929,1265 1.893,1266 2.079,1267 2.072,1268 1.412,1269 2.076,1270 1.91,1271 1.883,1272 2.025,1273 2.021,1274 1.156,1275 2.023,1276 1.818,1277 1.763,1278 1.99,1279 1.962,1280 1.136,1281 1.97,1282 1.707,1283 1.654,1284 1.821,1285 1.886,1286 0.825,1287 1.879,1288 1.289,1289 1.225,1290 1.589,1291 1.574,1292 0.825,1293 1.576,1294 1.237,1295 1.165,1296 1.513,1297 1.479,1298 0.729,1299 1.492,1300 1.153,1301 1.064,1302 1.502,1303 1.381,1304 0.631,1305 1.429,1306 1.101,1307 1.005,1308 1.433,1309 1.376,1310 0.54,1311 1.405,1312 4.205,1314 5.476,1316 6.94,1318 8.481,1320 10.057,1322 1.676,1328 6.094,1329 6.884,1330 5.204,1332 0.411,1333 2.515,1340 36.143,1341 84.546,1342 197.803,1343 262.347,1344 295.566,1345 302.321,1346 302.321,1347 38.43,1348 7.692,1349 62.31,1350 62.31,1351 24,1352 12.24,1353 4.248,1354 3.322,1355 47.446,1356 153,1357 158,1358 0.145,1359 223.034,1360 381.65,1361 535.963,1362 27608,1364 20.598,1365 0.687,1366 0.581,1367 20.598,1368 17.421,1369 14.78,1370 0.448,1371 0.318,1372 10.367,1373 14.259,1374 10.119,1375 8.422,1376 14.78,1377 10.51,1378 12.633,1379 0.294,1380 0.178,1381 12.633,1382 7.647,1383 10.443,1384 0.197,1385 0.103,1386 10.443,1387 5.458,1388 8.347,1389 0.128,1390 0.057,1391 8.347,1392 3.722,1393 6.933,1394 0.085,1395 0.033,1396 6.933,1397 2.698,1398 0.24,1399 92.134,1400 0.209,1401 29.416,1402 0.37,1403 152,1404 383.337,1405 164.731,1406 375.216,1407 521.79,1408 356,1409 172,1410 385.602,1411 184.816,1412 394.502,1413 567.26,1414 370,1415 5.027}
{0 CHEMBL2047230,1 1.481,2 15.313,3 3.974,4 15.791,5 130.972,6 6.883,7 0.514,8 4.228,9 4.359,10 3.733,11 3.719,12 5.258,13 3.695,14 4.778,15 4.973,16 4.033,17 4.091,18 5.734,19 4.038,20 5.006,21 5.23,22 4.077,23 4.241,24 5.882,25 4.147,26 5.107,27 5.371,28 3.978,29 4.231,30 5.918,31 4.102,32 5.086,33 5.353,34 3.926,35 4.203,36 5.896,37 4.075,38 5,39 5.256,40 3.865,41 4.174,42 5.836,43 4.036,44 4.988,45 5.273,46 3.784,47 4.082,48 5.758,49 3.93,50 4.856,51 5.147,52 3.691,53 3.907,54 5.67,55 3.783,56 0.044,57 0.933,58 14.363,59 5.579,60 11.626,61 7.879,62 0.364,63 1.468,64 26.828,65 9.027,66 31.007,67 12.913,68 0.368,69 1.766,70 33.878,71 11.345,72 34.728,73 17.012,74 0.419,75 1.836,76 38.466,77 12.614,78 39.208,79 19.016,80 0.497,81 1.762,82 38.128,83 12.012,84 43.873,85 18.236,86 0.423,87 1.696,88 34.241,89 11.425,90 39.421,91 17.28,92 0.305,93 1.589,94 34.196,95 11.463,96 36.025,97 17.684,98 0.395,99 1.39,100 30.551,101 8.937,102 37.503,103 14.186,104 9,105 46,106 0.238,107 0.546,108 0.726,109 0.814,110 0.833,111 0.839,112 3.501,113 0.946,114 -4.78,115 -4.69,116 -4.41,121 39.7,123 2,126 2,127 4,129 1,144 9,145 2,146 2,147 1,149 1,152 1,176 9,179 1,180 7,183 3,185 4,187 9,191 1,192 6,197 2,200 4,206 9,209 2,210 1,211 2,214 3,219 3,222 1,227 6,231 2,232 2,235 1,237 4,239 7,243 1,244 3,249 4,251 2,255 1,256 5,259 1,261 3,264 2,268 1,269 4,272 1,274 1,277 4,281 1972,282 22.273,283 22.273,284 22.273,285 22.273,286 22.273,287 20.074,288 36.658,289 13.444,290 22.973,291 17.208,292 17.208,293 17.208,294 17.208,295 17.208,296 13.877,297 63.325,298 6.295,299 18.166,300 4.497,301 2.579,302 1.453,303 0.905,304 0.786,305 0.754,306 4.203,312 1,313 1057,314 3.162,318 475.493,325 2.625,326 19.595,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 68.5,338 490,339 4.266,340 3.211,341 6.165,342 3.855,343 2.902,344 3.91,345 0.916,346 9.125,347 2.765,348 4.087,349 3.037,350 5.707,351 3.725,352 2.786,353 3.676,354 0.86,355 8.069,356 2.632,357 3.939,358 2.885,359 5.583,360 3.613,361 2.668,362 3.456,363 0.86,364 7.704,365 2.523,366 3.631,367 2.684,368 5.35,369 3.424,370 2.452,371 2.877,372 0.657,373 6.996,374 2.371,375 3.544,376 2.508,377 5.225,378 3.225,379 2.266,380 2.714,381 0.4,382 6.586,383 2.164,384 3.34,385 2.331,386 5.011,387 3.051,388 2.108,389 2.508,390 0.172,391 6.027,392 1.978,393 3.055,394 2.176,395 4.774,396 2.779,397 1.843,398 2.16,400 5.334,401 1.72,402 2.919,403 1.978,404 4.365,405 2.521,406 1.609,407 2.057,409 4.124,410 1.461,411 2.81,412 1.516,413 3.592,414 2.408,415 1.415,416 1.901,418 3.039,419 1.403,420 2.664,421 1.281,422 3.509,423 2.159,424 1.215,425 1.733,427 2.667,428 1.144,429 2.5,430 1.15,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.02,439 1.077,440 3.258,441 1.984,442 1,443 1,445 2.136,446 0.983,447 2,448 1,449 3.247,450 1.733,451 0.816,452 0.952,454 1.762,455 0.742,456 1.748,457 0.937,458 3.013,459 1.461,460 0.56,461 0.648,463 1.074,464 0.501,465 1.445,466 0.806,467 2.971,468 1.24,469 0.327,470 0.356,472 0.729,473 0.279,474 15.167,475 0.474,476 0.529,477 0.017,478 41.25,479 1.289,480 20,481 0.625,482 21.25,483 0.664,484 26.713,485 0.835,486 35.233,487 0.559,488 30.015,489 0.938,490 8.332,491 0.26,492 7.397,493 0.231,494 0.066,496 0.257,501 0.953,502 1.482,503 0.865,504 1.218,505 0.851,506 1.055,507 1.311,508 0.995,509 1.017,510 0.941,511 0.999,512 0.942,513 0.951,514 1.235,515 1.055,516 1.135,517 0.884,518 1.104,519 0.936,520 1.032,521 1.031,522 1.051,523 0.944,524 1.048,525 1.186,526 0.947,527 1.043,528 0.888,529 1.254,530 0.938,531 0.87,532 1.012,533 1.127,534 1.06,535 1.162,536 1.109,537 0.622,538 1.103,539 0.883,540 1.03,541 0.694,542 0.993,543 0.942,544 0.906,545 0.918,546 0.836,547 0.927,548 0.852,549 6,550 0.116,551 2.222,552 1.375,553 1.529,554 0.5,555 0.524,556 0.318,557 0.271,558 0.178,559 17043,560 39636,561 2.12,562 49.2,564 24,566 1,567 2,570 4,572 1.738,573 2.043,574 3.887,575 0.177,582 93.283,583 1.481,584 3.399,585 4.524,586 5.072,587 5.191,588 5.223,589 3.382,590 4.515,591 4.97,592 4.075,593 2021.26,594 8.656,595 32079.6,597 1,600 376.569,601 1.122,602 4.957,603 0.171,604 0.004,605 0.048,606 0.03,607 0.038,608 0.013,609 0.015,610 0.01,611 0.009,612 0.006,613 0.344,614 0.17,615 1,616 0.656,617 173.575,618 -0.017,619 -0.24,620 0.07,621 -0.107,622 0.044,623 -0.021,624 -0.055,625 0.139,626 -0.02,627 0.063,628 0.063,629 0.026,630 0.015,631 -0.161,632 -0.082,633 -0.134,634 0.037,635 -0.119,636 -0.005,637 -0.032,638 -0.047,639 -0.086,640 -0.015,641 -0.074,642 -0.114,643 0.03,644 -0.043,645 0.068,646 -0.173,647 0.027,648 -0.032,649 0.024,650 -0.158,651 -0.084,652 -0.187,653 -0.13,654 0.089,655 -0.155,656 0.083,657 -0.055,658 0.124,659 0.002,660 0.025,661 0.072,662 0.087,663 0.076,664 0.086,665 0.092,666 0.996,667 1.881,668 0.75,669 41.953,670 0.994,671 1.132,672 3.55,673 12.601,674 0.648,675 3.584,676 3.85,677 4.078,678 4.29,679 4.5,680 4.443,681 4.543,682 4.654,683 4.762,684 4.828,685 8.845,686 0.609,687 433.61,688 3.584,689 5.094,690 5.916,691 6.76,692 7.593,693 8.44,694 9.276,695 10.123,696 10.961,697 11.808,698 7.9,701 1,703 2,708 2,715 10,716 2,720 6,722 18,734 2,739 2,741 63,743 18,744 2,745 35,747 66,748 25,749 16,750 4,751 8,756 4,757 4,767 3,770 3,772 16,773 9,793 31,794 7,795 2,796 7,802 5,808 1,809 2,823 1,829 4,855 1,859 4,864 2,868 32,876 6,877 2,878 2,880 1,881 1,893 3.2,898 2,901 15.667,902 11.6,903 7.278,904 3.662,907 3.106,908 1.396,909 0.97,910 7.939,911 10.955,912 3.807,913 4.324,914 4.814,915 5.294,916 5.769,917 5.702,918 5.878,919 6.133,920 6.468,921 6.761,922 1,923 46,924 11.798,926 4.812,927 0.026,929 7.51,931 23.094,933 18.556,936 2.01,937 64.333,940 1,941 341.362,942 150.677,943 72.717,945 22,948 150.677,949 363.362,950 72.717,951 21.766,952 13.492,953 85.286,954 81.364,955 51.03,956 4.227,957 329.591,959 341.362,960 223.394,961 22,964 294.278,965 69.084,968 27.563,969 126.238,970 69.593,972 341.362,973 94.717,974 150.677,977 341.362,978 34.577,979 119.224,980 36.022,981 55.571,982 341.362,983 94.717,984 150.677,986 0.563,987 0.328,988 0.178,989 0.097,990 20,991 8,992 0.136,993 9,995 1,996 4.568,997 271.663,999 24,1000 152,1005 22.529,1006 11.276,1007 6.428,1009 94.717,1010 20.222,1011 9.055,1015 5.356,1017 36.022,1018 586.755,1019 44,1031 62.65,1032 71.308,1034 0.248,1035 0.569,1036 0.757,1037 0.849,1038 0.869,1039 0.874,1040 5.014,1041 1.609,1042 5.855,1043 5.334,1044 4.533,1045 5.011,1046 1.894,1047 6.575,1048 4.431,1049 6.163,1050 1.415,1051 7.351,1052 4.124,1053 3.892,1054 4.543,1055 0.325,1056 7.248,1057 3.728,1058 7.424,1059 1.215,1060 8.937,1061 3.039,1062 6.043,1063 7.071,1064 1.519,1065 10.283,1066 5.844,1067 8.714,1068 1,1069 10.576,1070 2.667,1071 6.217,1072 7.402,1073 0.393,1074 11.753,1075 5.944,1076 10.034,1077 1,1078 12.249,1079 2.275,1080 7.782,1081 9.393,1082 1.25,1083 14.26,1084 7.486,1085 11.374,1086 0.816,1087 13.944,1088 2.136,1089 8.356,1090 10.127,1091 0.384,1092 16.086,1093 7.983,1094 12.729,1095 0.56,1096 15.655,1097 1.762,1098 9.651,1099 11.856,1100 1.036,1101 18.39,1102 9.255,1103 2.902,1104 0.327,1105 17.379,1106 1.074,1107 10.439,1108 12.82,1109 0.351,1110 20.393,1111 9.968,1112 2.786,1113 9.125,1114 19.112,1115 0.729,1116 11.6,1117 14.4,1118 0.858,1119 22.617,1120 11.1,1121 2.668,1122 8.069,1123 20.854,1124 3.91,1125 12.504,1126 15.504,1127 0.312,1128 24.71,1129 11.934,1130 2.452,1131 7.704,1132 22.602,1133 3.676,1134 13.599,1135 16.993,1136 0.708,1137 26.905,1138 12.995,1139 2.266,1140 6.996,1141 24.356,1142 3.456,1143 14.567,1144 18.185,1145 0.273,1146 29.044,1147 13.897,1148 2.108,1149 6.586,1150 26.115,1151 2.877,1152 15.631,1153 19.618,1154 0.582,1155 31.232,1156 14.922,1157 1.843,1158 6.027,1159 27.88,1160 2.714,1161 16.632,1162 20.867,1163 0.236,1164 33.396,1165 15.863,1166 16091,1167 24691,1168 24.038,1169 40.836,1170 50.531,1171 51.17,1172 51.653,1173 50.449,1174 50.508,1175 63.525,1176 7.732,1177 136.174,1178 47.871,1179 5.266,1180 5.211,1181 5.967,1182 4.928,1183 4.902,1184 6.91,1185 1.776,1186 15.38,1187 4.765,1188 11.381,1189 1.444,1190 1.462,1191 1.476,1192 1.441,1193 1.443,1194 1.815,1195 0.221,1196 3.891,1197 1.368,1198 3.991,1199 4.039,1200 3.925,1201 3.885,1202 5.019,1203 3.887,1204 3.925,1205 3.956,1206 3.856,1207 3.844,1208 4.922,1209 3.844,1210 3.853,1211 3.896,1212 3.798,1213 3.707,1214 4.754,1215 3.719,1216 3.75,1217 3.806,1218 3.648,1219 3.596,1220 4.496,1221 3.606,1222 3.369,1223 3.435,1224 3.249,1225 3.132,1226 4.371,1227 3.15,1228 3.266,1229 3.343,1230 3.129,1231 3.077,1232 4.322,1233 3.078,1234 3.247,1235 3.314,1236 3.051,1237 2.952,1238 4.093,1239 2.96,1240 3.111,1241 3.206,1242 2.918,1243 2.941,1244 3.974,1245 2.91,1246 0.122,1247 0.092,1248 0.176,1249 0.11,1250 0.083,1251 4.266,1252 0.112,1253 3.211,1254 0.026,1255 6.165,1256 0.261,1257 3.855,1258 0.079,1259 2.902,1260 3.91,1261 0.916,1262 9.125,1263 2.765,1264 1.929,1265 1.893,1266 2.079,1267 2.073,1268 1.412,1269 2.076,1270 1.905,1271 1.884,1272 2.008,1273 2.024,1274 1.158,1275 2.02,1276 1.818,1277 1.763,1278 1.988,1279 1.964,1280 1.136,1281 1.969,1282 1.707,1283 1.654,1284 1.819,1285 1.888,1286 0.825,1287 1.879,1288 1.298,1289 1.238,1290 1.593,1291 1.583,1292 0.825,1293 1.584,1294 1.239,1295 1.167,1296 1.576,1297 1.523,1298 0.729,1299 1.539,1300 1.191,1301 1.115,1302 1.513,1303 1.475,1304 0.636,1305 1.489,1306 1.153,1307 1.064,1308 1.501,1309 1.376,1310 0.574,1311 1.429,1312 4.263,1314 5.541,1316 7.017,1318 8.575,1320 10.171,1322 3.28,1328 5.959,1329 6.878,1330 10.682,1332 0.392,1333 2.509,1340 38.385,1341 93.283,1342 214.109,1343 285.02,1344 319.549,1345 327.059,1346 329.059,1347 44.486,1348 7.849,1349 71.54,1350 71.54,1351 24,1352 12.37,1353 4.248,1354 3.322,1355 52.283,1356 170,1357 162,1358 0.145,1359 236.623,1360 407.74,1361 569.12,1362 33504,1364 22.175,1365 0.693,1366 0.586,1367 22.175,1368 18.752,1369 15.729,1370 0.449,1371 0.315,1372 10.855,1373 15.059,1374 10.562,1375 8.809,1376 15.729,1377 11.039,1378 13.354,1379 0.29,1380 0.174,1381 13.354,1382 7.989,1383 11.196,1384 0.193,1385 0.099,1386 11.196,1387 5.747,1388 9.142,1389 0.127,1390 0.055,1391 9.142,1392 3.97,1393 7.483,1394 0.084,1395 0.032,1396 7.483,1397 2.857,1398 0.239,1399 98.942,1400 0.204,1401 30.92,1402 0.369,1403 162,1404 439.072,1405 177.61,1406 421.502,1407 582.8,1408 400,1409 185,1410 427.147,1411 201.249,1412 436.153,1413 628.91,1414 407,1415 5.004}
{0 CHEMBL2047231,1 1.513,2 15.5,3 3.957,4 15.661,5 137.435,6 6.92,7 0.486,8 4.292,9 4.419,10 3.798,11 3.758,12 5.336,13 3.742,14 4.844,15 5.038,16 4.099,17 4.125,18 5.807,19 4.085,20 5.048,21 5.26,22 4.182,23 4.288,24 5.96,25 4.21,26 5.175,27 5.424,28 4.139,29 4.306,30 6.034,31 4.2,32 5.199,33 5.445,34 4.082,35 4.302,36 6.063,37 4.196,38 5.138,39 5.378,40 3.973,41 4.291,42 5.999,43 4.156,44 5.161,45 5.461,46 3.886,47 4.196,48 5.915,49 4.032,50 4.979,51 5.275,52 3.811,53 3.997,54 5.788,55 3.878,56 0.03,57 0.978,58 15.313,59 5.938,60 12.83,61 8.301,62 0.421,63 1.519,64 28.975,65 9.462,66 34.904,67 13.418,68 0.462,69 1.827,70 35.337,71 11.736,72 38.468,73 17.483,74 0.508,75 1.939,76 41.131,77 13.381,78 44.815,79 20.012,80 0.709,81 1.908,82 43.142,83 13.104,84 56.647,85 19.41,86 0.541,87 1.891,88 39.52,89 12.936,90 49.456,91 19.237,92 0.433,93 1.799,94 41.366,95 13.317,96 47.517,97 20.896,98 0.453,99 1.512,100 34.896,101 9.969,102 43.154,103 15.933,104 19,105 49,106 0.24,107 0.539,108 0.714,109 0.782,110 0.795,111 0.815,112 3.56,113 0.938,114 -4.24,115 -4.18,116 -3.94,121 38.8,123 2,126 3,127 4,129 1,144 8,145 2,146 3,147 1,149 1,152 1,176 8,179 1,180 7,183 3,185 4,187 8,191 2,192 6,197 2,200 3,205 1,206 10,209 2,210 1,211 1,214 3,219 3,222 2,227 6,231 2,232 1,235 1,237 4,239 6,243 2,244 4,249 4,251 2,255 1,256 4,259 1,261 2,264 2,268 2,269 4,272 2,274 1,277 4,281 2224,282 23.643,283 23.643,284 23.643,285 23.643,286 23.643,287 21.444,288 39.577,289 14.175,290 24.509,291 18.13,292 18.13,293 18.13,294 18.13,295 18.13,296 14.697,297 68.021,298 6.534,299 19.256,300 4.553,301 2.67,302 1.564,303 1.135,304 1.053,305 0.929,306 4.26,312 1,313 1129,314 3.391,318 508.622,325 2.647,326 23.756,329 1,330 0.67,331 0.83,332 1,333 1,334 1,335 1,336 0.93,337 73.5,338 527,339 4.42,340 3.379,341 6.523,342 4.009,343 3.062,344 4.104,345 0.916,346 10.257,347 2.896,348 4.088,349 3.037,350 5.707,351 3.726,352 2.788,353 3.676,354 0.86,355 8.07,356 2.633,357 3.939,358 2.886,359 5.583,360 3.615,361 2.669,362 3.456,363 0.86,364 7.705,365 2.525,366 3.635,367 2.685,368 5.36,369 3.426,370 2.454,371 2.891,372 0.86,373 7.017,374 2.375,375 3.55,376 2.555,377 5.254,378 3.235,379 2.271,380 2.715,381 0.657,382 6.672,383 2.181,384 3.355,385 2.508,386 5.19,387 3.052,388 2.108,389 2.604,390 0.4,391 6.118,392 1.978,393 3.34,394 2.331,395 5.012,396 2.972,397 2.061,398 2.508,399 0.172,400 6.031,401 1.867,402 3.055,403 2.005,404 4.775,405 2.779,406 1.842,407 2.16,409 5.336,410 1.72,411 2.81,412 1.935,413 3.809,414 2.408,415 1.415,416 1.901,418 3.039,419 1.403,420 2.664,421 1.516,422 3.592,423 2.162,424 1.224,425 1.733,427 2.695,428 1.146,429 2.5,430 1.264,431 3.503,432 2,433 1.156,434 1.5,436 2.472,437 1,438 2.23,439 1.077,440 3.414,441 1.994,442 1,443 1.215,445 2.275,446 0.983,447 2,448 1.068,449 3.247,450 1.984,451 1,452 1,454 2.136,455 0.963,456 1.807,457 1,458 3.161,459 1.553,460 0.643,461 0.728,463 1.418,464 0.582,465 1.576,466 0.916,467 2.988,468 1.27,469 0.396,470 0.452,472 0.73,473 0.342,474 16,475 0.471,476 0.58,477 0.017,478 43.25,479 1.272,480 20.5,481 0.603,482 22.75,483 0.669,484 29.821,485 0.877,486 38,487 0.567,488 33.178,489 0.976,490 8.831,491 0.26,492 7.846,493 0.231,494 0.094,496 0.275,501 0.945,502 1.526,503 0.857,504 1.271,505 0.847,506 1.079,507 1.359,508 0.955,509 0.996,510 0.886,511 1.063,512 0.888,513 0.861,514 1.251,515 1.017,516 1.144,517 0.835,518 1.099,519 0.845,520 1.073,521 0.981,522 1.089,523 0.839,524 1.053,525 1.424,526 0.949,527 1.131,528 0.897,529 1.398,530 0.966,531 1.073,532 1.09,533 1.253,534 1.143,535 1.321,536 1.211,537 0.523,538 1.016,539 0.813,540 0.959,541 0.593,542 0.929,543 0.862,544 0.877,545 0.834,546 0.789,547 0.843,548 0.788,549 6.5,550 0.161,551 2.444,552 1.938,553 1.92,554 0.618,555 0.606,556 0.349,557 0.317,558 0.204,559 19461,560 46658,561 2.095,562 49.3,564 26,566 1,567 2,570 4,572 1.754,573 2,574 3.88,575 0.177,582 101.387,583 1.513,584 3.396,585 4.502,586 4.931,587 5.013,588 5.137,589 3.352,590 4.077,591 5.058,592 4.097,593 2298.33,594 8.837,595 37921.6,600 406.428,601 1.223,602 5.037,603 0.176,604 0.005,605 0.05,606 0.038,607 0.041,608 0.014,609 0.016,610 0.01,611 0.009,612 0.006,613 0.364,614 0.17,615 0.88,616 0.768,617 187.378,618 -0.024,619 -0.268,620 0.072,621 -0.136,622 0.04,623 -0.033,624 -0.1,625 0.173,626 0.007,627 0.12,628 0.023,629 0.08,630 0.092,631 -0.152,632 -0.049,633 -0.125,634 0.079,635 -0.106,636 0.085,637 -0.053,638 -0.002,639 -0.108,640 0.086,641 -0.071,642 -0.163,643 0.035,644 -0.113,645 0.062,646 -0.206,647 -0.011,648 -0.124,649 -0.046,650 -0.279,651 -0.156,652 -0.295,653 -0.232,654 0.132,655 -0.093,656 0.15,657 0.001,658 0.182,659 0.066,660 0.034,661 0.08,662 0.167,663 0.12,664 0.126,665 0.162,666 1.086,667 1.944,668 0.706,669 44.484,670 0.998,671 1.133,672 3.006,673 9.035,674 0.643,675 3.638,676 3.912,677 4.159,678 4.394,679 4.595,680 4.543,681 4.644,682 4.736,683 4.836,684 4.905,685 9.036,686 0.606,687 463.64,688 3.638,689 5.153,690 5.984,691 6.838,692 7.681,693 8.538,694 9.385,695 10.243,696 11.092,697 11.951,698 7.5,701 1,703 2,708 2,715 9,716 2,720 7,722 18,734 2,739 3,741 67,743 18,744 2,745 37,747 70,748 26,749 16,750 5,751 7,756 4,757 4,767 3,770 3,772 16,773 10,793 33,794 8,795 2,796 8,802 5,808 1,809 3,823 1,829 4,855 1,859 4,864 3,868 34,876 6,877 2,878 3,880 1,881 1,893 4.5,898 3,901 17,902 12.683,903 7.806,904 3.822,907 3.143,908 1.393,909 0.959,910 8.716,911 11.13,912 3.85,913 4.376,914 4.885,915 5.384,916 5.851,917 5.834,918 6.014,919 6.231,920 6.555,921 6.856,922 1,923 51,924 12.533,926 5.095,927 0.026,929 7.544,931 24.403,933 19.448,936 2.044,937 69.5,941 364.904,942 157.327,943 72.717,945 33,948 157.327,949 397.904,950 72.717,951 32.649,952 13.492,953 75.81,954 81.364,955 67.273,956 4.227,957 353.133,959 364.904,960 230.044,961 33,964 317.82,965 80.084,968 27.563,969 132.889,970 69.593,972 364.904,973 105.717,974 157.327,977 364.904,978 39.82,979 120.631,980 36.022,981 66.571,982 364.904,983 105.717,984 157.327,986 0.562,987 0.335,988 0.188,989 0.102,990 21,991 9,992 0.143,993 10,995 1,996 4.653,997 298.344,999 24,1000 156.974,1005 24.424,1006 12.133,1007 6.681,1009 105.717,1010 18.142,1011 9.074,1015 5.599,1017 36.022,1018 627.948,1019 46,1031 66.861,1032 75.933,1034 0.249,1035 0.56,1036 0.742,1037 0.813,1038 0.826,1039 0.847,1040 5.066,1041 1.842,1042 5.932,1043 6.031,1044 4.595,1045 5.063,1046 2.095,1047 6.681,1048 4.483,1049 6.222,1050 1.415,1051 7.446,1052 5.336,1053 4.007,1054 4.677,1055 0.325,1056 7.434,1057 3.837,1058 7.494,1059 1.224,1060 9.054,1061 3.039,1062 6.129,1063 7.148,1064 1.734,1065 10.495,1066 5.915,1067 8.798,1068 1.156,1069 10.717,1070 2.695,1071 6.365,1072 7.575,1073 0.393,1074 12.076,1075 6.078,1076 10.133,1077 1,1078 12.418,1079 2.472,1080 7.907,1081 9.513,1082 1.459,1083 14.638,1084 7.59,1085 11.489,1086 1,1087 14.144,1088 2.275,1089 8.547,1090 10.348,1091 0.384,1092 16.602,1093 8.152,1094 12.862,1095 0.643,1096 15.89,1097 2.136,1098 9.833,1099 12.039,1100 1.228,1101 18.994,1102 9.409,1103 3.062,1104 0.396,1105 17.651,1106 1.418,1107 10.688,1108 13.104,1109 0.351,1110 21.147,1111 10.186,1112 2.788,1113 10.257,1114 19.426,1115 0.73,1116 11.857,1117 14.662,1118 1.03,1119 23.484,1120 11.32,1121 2.669,1122 8.07,1123 21.213,1124 4.104,1125 12.826,1126 15.863,1127 0.312,1128 25.727,1129 12.215,1130 2.454,1131 7.705,1132 23.01,1133 3.676,1134 13.944,1135 17.347,1136 0.858,1137 28.05,1138 13.292,1139 2.271,1140 7.017,1141 24.817,1142 3.456,1143 14.973,1144 18.628,1145 0.273,1146 30.335,1147 14.252,1148 2.108,1149 6.672,1150 26.632,1151 2.891,1152 16.072,1153 20.072,1154 0.709,1155 32.656,1156 15.304,1157 2.061,1158 6.118,1159 28.455,1160 2.715,1161 17.133,1162 21.402,1163 0.236,1164 34.962,1165 16.301,1166 18490,1167 28804,1168 25.137,1169 43.052,1170 53.285,1171 54.337,1172 55.299,1173 53.248,1174 53.361,1175 66.564,1176 9.452,1177 145.925,1178 50.235,1179 5.42,1180 5.379,1181 6.325,1182 5.082,1183 5.062,1184 7.104,1185 1.776,1186 17.178,1187 4.896,1188 14.252,1189 1.44,1190 1.469,1191 1.495,1192 1.439,1193 1.442,1194 1.799,1195 0.255,1196 3.944,1197 1.358,1198 3.996,1199 4.041,1200 3.939,1201 3.887,1202 5.025,1203 3.891,1204 3.93,1205 3.958,1206 3.862,1207 3.845,1208 4.958,1209 3.846,1210 3.855,1211 3.898,1212 3.802,1213 3.707,1214 4.754,1215 3.72,1216 3.751,1217 3.807,1218 3.649,1219 3.596,1220 4.58,1221 3.607,1222 3.375,1223 3.441,1224 3.256,1225 3.139,1226 4.466,1227 3.158,1228 3.303,1229 3.355,1230 3.144,1231 3.078,1232 4.348,1233 3.078,1234 3.265,1235 3.343,1236 3.129,1237 3.006,1238 4.277,1239 3.026,1240 3.21,1241 3.288,1242 2.985,1243 2.941,1244 4.034,1245 2.91,1246 0.119,1247 0.091,1248 0.176,1249 0.108,1250 0.083,1251 4.42,1252 0.111,1253 3.379,1254 0.025,1255 6.523,1256 0.277,1257 4.009,1258 0.078,1259 3.062,1260 4.104,1261 0.916,1262 10.257,1263 2.896,1264 1.929,1265 1.893,1266 2.079,1267 2.073,1268 1.412,1269 2.076,1270 1.9,1271 1.885,1272 1.996,1273 2.027,1274 1.16,1275 2.017,1276 1.817,1277 1.763,1278 1.983,1279 1.965,1280 1.136,1281 1.969,1282 1.707,1283 1.655,1284 1.817,1285 1.889,1286 0.825,1287 1.879,1288 1.303,1289 1.244,1290 1.594,1291 1.586,1292 0.824,1293 1.586,1294 1.239,1295 1.167,1296 1.59,1297 1.558,1298 0.729,1299 1.565,1300 1.227,1301 1.163,1302 1.565,1303 1.504,1304 0.64,1305 1.524,1306 1.166,1307 1.079,1308 1.513,1309 1.469,1310 0.584,1311 1.485,1312 4.317,1314 5.602,1316 7.088,1318 8.661,1320 10.279,1322 4.826,1328 5.825,1329 6.872,1330 16.286,1332 0.373,1333 2.504,1340 40.627,1341 101.387,1342 227.526,1343 301.634,1344 330.389,1345 335.899,1346 344.163,1347 51.419,1348 7.988,1349 80.77,1350 80.77,1351 24,1352 12.504,1353 4.248,1354 3.322,1355 57.317,1356 187,1357 182,1358 0.146,1359 250.211,1360 433.83,1361 602.276,1362 39448,1364 23.753,1365 0.699,1366 0.591,1367 23.753,1368 20.083,1369 16.678,1370 0.451,1371 0.313,1372 11.342,1373 15.859,1374 11.005,1375 9.196,1376 16.678,1377 11.568,1378 14.084,1379 0.287,1380 0.17,1381 14.084,1382 8.333,1383 11.902,1384 0.189,1385 0.096,1386 11.902,1387 6.024,1388 9.947,1389 0.124,1390 0.053,1391 9.947,1392 4.216,1393 8.149,1394 0.083,1395 0.031,1396 8.149,1397 3.043,1398 0.24,1399 105.749,1400 0.199,1401 32.356,1402 0.374,1403 172,1404 494.808,1405 190.488,1406 467.838,1407 643.83,1408 444,1409 198,1410 468.693,1411 217.681,1412 477.922,1413 690.88,1414 444,1415 4.987}
{0 CHEMBL2047375,1 1.513,2 14.71,3 3.775,4 14.248,5 123.813,6 7.199,7 0.514,8 4.171,9 4.295,10 3.725,11 3.681,12 5.19,13 3.668,14 4.733,15 4.911,16 4.06,17 4.076,18 5.729,19 4.035,20 4.967,21 5.198,22 4.008,23 4.198,24 5.812,25 4.098,26 5.03,27 5.303,28 3.872,29 4.141,30 5.808,31 4.006,32 4.942,33 5.218,34 3.833,35 4.073,36 5.731,37 3.95,38 4.852,39 5.098,40 3.817,41 4.054,42 5.716,43 3.941,44 4.846,45 5.11,46 3.742,47 3.998,48 5.654,49 3.864,50 4.755,51 5.034,52 3.653,53 3.835,54 5.583,55 3.721,56 0.027,57 0.882,58 12.627,59 5.112,60 8.129,61 6.95,62 0.411,63 1.434,64 24.45,65 8.551,66 31.158,67 11.788,68 0.246,69 1.717,70 31.927,71 11.007,72 30.42,73 16.173,74 0.412,75 1.727,76 35.818,77 11.742,78 35.979,79 17.575,80 0.388,81 1.584,82 32.899,83 10.506,84 35.163,85 15.989,86 0.397,87 1.514,88 29.092,89 9.59,90 34.466,91 14.191,92 0.249,93 1.443,94 29.21,95 10.196,96 31.005,97 15.263,98 0.348,99 1.299,100 27.504,101 8.354,102 33.31,103 12.824,105 47,106 0.246,107 0.565,108 0.739,109 0.836,110 0.857,111 0.857,112 3.471,113 0.926,114 -4.98,115 -4.88,116 -4.58,121 41.4,123 2,127 4,128 1,129 1,144 9,145 2,146 2,147 1,149 1,152 1,176 9,179 2,180 7,183 3,185 4,187 9,192 6,197 2,200 4,206 9,209 2,210 1,211 2,214 3,219 3,222 1,227 6,231 2,232 2,235 1,237 4,239 7,243 1,244 3,249 4,251 2,255 1,256 5,259 1,261 3,264 2,268 1,269 4,272 1,274 1,277 4,281 1798,282 21.687,283 21.687,284 21.687,285 21.687,286 21.687,287 19.488,288 36.027,289 13.144,290 22.188,291 17.37,292 17.37,293 17.37,294 17.37,295 17.37,296 14.084,297 63.225,298 6.36,299 18.2,300 4.345,301 2.385,302 1.311,303 0.716,304 0.586,305 0.586,306 4.188,311 1,312 1,313 1025,314 2.828,317 83.478,318 419.914,321 143.512,325 2.558,326 19.906,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 66.5,338 456,339 4.29,340 3.315,341 6.194,342 3.896,343 2.942,344 3.925,345 1.392,346 9.256,347 2.802,348 4.087,349 3.037,350 5.707,351 3.726,352 2.787,353 3.676,354 0.916,355 8.07,356 2.632,357 3.939,358 2.889,359 5.583,360 3.614,361 2.669,362 3.456,363 0.657,364 7.705,365 2.524,366 3.637,367 2.704,368 5.351,369 3.427,370 2.455,371 2.895,372 0.532,373 7.003,374 2.375,375 3.56,376 2.521,377 5.23,378 3.255,379 2.288,380 2.716,381 0.4,382 6.621,383 2.204,384 3.342,385 2.336,386 5.011,387 3.056,388 2.114,389 2.508,390 0.172,391 6.029,392 1.98,393 3.055,394 1.995,395 4.774,396 2.781,397 1.844,398 2.16,400 5.335,401 1.722,402 2.886,403 1.984,404 4.366,405 2.477,406 1.534,407 2.024,409 4.212,410 1.439,411 2.81,412 1.749,413 3.592,414 2.408,415 1.415,416 1.902,418 3.039,419 1.403,420 2.664,421 1.516,422 3.514,423 2.171,424 1.22,425 1.733,427 2.679,428 1.158,429 2.5,430 1.259,431 3.457,432 2.102,433 1.118,434 1.5,436 2.482,437 1.098,438 2.223,439 1.077,440 3.414,441 2,442 1,443 1.205,445 2.275,446 1,447 2,448 1,449 3.247,450 1.984,451 1,452 1,454 2.136,455 0.983,456 1.908,457 0.951,458 3.225,459 1.638,460 0.699,461 0.818,463 1.648,464 0.654,465 1.573,466 0.694,467 3.013,468 1.295,469 0.369,470 0.431,472 0.904,473 0.339,474 14.667,475 0.473,476 0.529,477 0.017,478 41.25,479 1.331,480 20,481 0.645,482 21.25,483 0.685,484 24.597,485 0.793,486 33.333,487 0.575,488 28.171,489 0.909,490 8.113,491 0.262,492 7.202,493 0.232,496 0.266,501 0.944,502 1.422,503 0.807,504 1.151,505 0.849,506 0.985,507 1.127,508 1.021,509 1.012,510 0.989,511 0.894,512 0.983,513 0.927,514 1.218,515 1.065,516 1.141,517 0.89,518 1.117,519 0.85,520 0.969,521 1.016,522 0.993,523 0.915,524 1.015,525 0.856,526 0.935,527 0.934,528 0.86,529 1.007,530 0.89,531 0.94,532 0.964,533 1.128,534 0.998,535 1.217,536 1.064,537 0.637,538 1.151,539 0.938,540 1.099,541 0.734,542 1.064,543 0.905,544 0.943,545 0.926,546 0.88,547 0.939,548 0.888,549 5.5,550 0.074,551 2,552 1.194,553 1.244,554 0.344,555 0.498,556 0.277,557 0.235,558 0.138,559 16958,560 39467,561 2.221,562 46.6,564 18,565 2,566 1,567 2,570 4,572 1.729,573 2.188,574 3.834,575 0.193,577 1,582 87.732,583 1.513,584 3.473,585 4.547,586 5.142,587 5.272,588 5.272,589 3.268,590 4.414,591 4.925,592 4.031,593 1874.62,594 8.561,595 28926.3,597 1,600 339.763,601 0.824,602 4.929,603 0.157,604 0.003,605 0.043,606 0.028,607 0.035,608 0.01,609 0.014,610 0.009,611 0.008,612 0.005,613 0.31,614 0.17,615 0.88,617 166.287,618 -0.032,619 -0.22,620 0.078,621 -0.087,622 0.011,623 -0.003,624 0.088,625 0.108,626 -0.052,627 -0.002,628 0.153,629 -0.041,630 -0.091,631 -0.178,632 -0.112,633 -0.156,634 -0.038,635 -0.138,636 -0.003,637 0.006,638 -0.027,639 -0.039,640 -0.03,641 -0.037,642 -0.024,643 0.039,644 0.056,645 0.093,646 -0.062,647 0.089,648 -0.056,649 0.08,650 -0.158,651 -0.04,652 -0.202,653 -0.101,654 0.074,655 -0.188,656 0.027,657 -0.111,658 0.089,659 -0.06,660 0.034,661 0.034,662 0.084,663 0.048,664 0.074,665 0.073,666 1.21,667 1.946,668 0.871,669 39.032,670 0.998,671 1.129,672 3.748,673 14.049,674 0.661,675 3.584,676 3.871,677 4.111,678 4.357,679 4.554,680 4.533,681 4.663,682 4.796,683 4.836,684 4.927,685 8.61,686 0.626,687 417.56,688 3.584,689 5.106,690 5.938,691 6.79,692 7.631,693 8.485,694 9.33,695 10.185,696 11.031,697 11.886,698 8.6,701 1,703 2,708 2,715 10,716 2,720 6,722 18,734 2,739 2,741 58,743 18,744 2,745 35,747 62,748 24,749 16,750 4,751 8,756 5,757 6,767 3,770 3,772 16,773 8,790 1,793 27,794 7,795 2,796 7,802 5,808 0.8,809 2,823 1,828 1,829 4,832 1,855 1,859 4,868 31,876 7,877 2,878 2,880 1,881 1,893 3.4,898 2,901 14.167,902 10.1,903 6.778,904 3.496,907 3.192,908 1.393,909 1.006,910 6.302,911 11.313,912 3.807,913 4.337,914 4.83,915 5.328,916 5.801,917 5.775,918 5.996,919 6.291,920 6.514,921 6.828,922 0.9,923 43,924 11.453,926 4.825,927 0.026,929 7.495,931 22.496,933 18.673,936 1.995,937 61.833,940 1,941 294.278,942 135.561,943 72.717,945 22,948 135.561,949 316.277,950 72.717,952 20.142,953 85.286,954 81.364,955 51.03,956 27.769,957 258.964,959 294.278,960 208.278,961 22,964 247.193,965 69.084,968 34.213,969 104.472,970 69.593,972 294.278,973 94.717,974 135.561,977 294.278,978 41.227,979 97.458,980 36.022,981 55.571,982 294.278,983 94.717,984 135.561,986 0.571,987 0.324,988 0.177,989 0.095,990 23,991 8,992 0.113,993 7,994 1,995 1.074,996 4.611,997 268.456,998 0.074,999 27,1000 145.58,1005 20.252,1006 9.647,1007 5.338,1009 94.717,1010 20.323,1011 9.048,1015 5.561,1017 36.022,1018 524.555,1019 44,1031 57.883,1032 65.478,1034 0.258,1035 0.593,1036 0.776,1037 0.878,1038 0.9,1039 0.9,1040 5.027,1041 1.534,1042 5.878,1043 5.335,1044 4.554,1045 5.024,1046 2.095,1047 6.603,1048 4.462,1049 6.175,1050 1.415,1051 7.371,1052 4.212,1053 3.892,1054 4.543,1055 0.325,1056 7.248,1057 3.728,1058 7.437,1059 1.22,1060 8.954,1061 3.039,1062 6.066,1063 7.079,1064 2.307,1065 10.311,1066 5.876,1067 8.727,1068 1.118,1069 10.591,1070 2.679,1071 6.236,1072 7.411,1073 0.393,1074 11.781,1075 5.967,1076 10.048,1077 1,1078 12.263,1079 2.482,1080 7.815,1081 9.404,1082 2.8,1083 14.301,1084 7.526,1085 11.39,1086 1,1087 13.959,1088 2.275,1089 8.395,1090 10.142,1091 0.384,1092 16.139,1093 8.026,1094 12.748,1095 0.699,1096 15.672,1097 2.136,1098 9.698,1099 11.87,1100 3.393,1101 18.454,1102 9.306,1103 2.942,1104 0.369,1105 17.397,1106 1.648,1107 10.496,1108 12.841,1109 0.351,1110 20.473,1111 10.029,1112 2.787,1113 9.256,1114 19.133,1115 0.904,1116 11.664,1117 14.419,1118 4.024,1119 22.709,1120 11.167,1121 2.669,1122 8.07,1123 20.877,1124 3.925,1125 12.58,1126 15.53,1127 0.312,1128 24.819,1129 12.014,1130 2.455,1131 7.705,1132 22.629,1133 3.676,1134 13.683,1135 17.019,1136 4.671,1137 27.028,1138 13.081,1139 2.288,1140 7.003,1141 24.387,1142 3.456,1143 14.662,1144 18.217,1145 0.273,1146 29.185,1147 13.996,1148 2.114,1149 6.621,1150 26.151,1151 2.895,1152 15.735,1153 19.651,1154 5.325,1155 31.387,1156 15.028,1157 1.844,1158 6.029,1159 27.92,1160 2.716,1161 16.749,1162 20.905,1163 0.236,1164 33.57,1165 15.983,1166 15332,1167 23602,1168 24.731,1169 38.313,1170 51.541,1171 52.07,1172 51.378,1173 51.512,1174 51.484,1175 64.527,1176 8.138,1177 140.241,1178 49.173,1179 5.29,1180 5.315,1181 5.995,1182 4.971,1183 4.942,1184 6.925,1185 2.783,1186 15.529,1187 4.802,1189 1.473,1190 1.488,1191 1.468,1192 1.472,1193 1.471,1194 1.844,1195 0.233,1196 4.007,1197 1.405,1198 4,1199 4.043,1200 3.942,1201 3.891,1202 5.031,1203 3.895,1204 3.938,1205 3.968,1206 3.866,1207 3.851,1208 4.984,1209 3.85,1210 3.857,1211 3.903,1212 3.804,1213 3.708,1214 4.754,1215 3.721,1216 3.752,1217 3.809,1218 3.649,1219 3.597,1220 4.392,1221 3.607,1222 3.407,1223 3.456,1224 3.306,1225 3.162,1226 4.329,1227 3.19,1228 3.27,1229 3.345,1230 3.14,1231 3.08,1232 4.1,1233 3.082,1234 3.111,1235 3.206,1236 2.951,1237 2.941,1238 3.974,1239 2.91,1240 3.095,1241 3.17,1242 2.866,1243 2.859,1244 3.965,1245 2.871,1246 0.123,1247 0.095,1248 0.177,1249 0.111,1250 0.084,1251 4.29,1252 0.112,1253 3.315,1254 0.04,1255 6.194,1256 0.264,1257 3.896,1258 0.08,1259 2.942,1260 3.925,1261 1.392,1262 9.256,1263 2.802,1264 1.929,1265 1.893,1266 2.079,1267 2.072,1268 1.412,1269 2.075,1270 1.89,1271 1.867,1272 1.998,1273 2.008,1274 1.152,1275 2.005,1276 1.816,1277 1.762,1278 1.984,1279 1.951,1280 1.136,1281 1.963,1282 1.704,1283 1.652,1284 1.814,1285 1.878,1286 0.825,1287 1.87,1288 1.259,1289 1.187,1290 1.513,1291 1.529,1292 0.82,1293 1.514,1294 1.205,1295 1.151,1296 1.505,1297 1.501,1298 0.727,1299 1.485,1300 1.153,1301 1.093,1302 1.457,1303 1.421,1304 0.6,1305 1.429,1306 1.14,1307 1.064,1308 1.418,1309 1.376,1310 0.571,1311 1.429,1312 4.263,1314 5.557,1315 2.398,1316 7.038,1317 4.595,1318 8.599,1319 6.581,1320 10.2,1328 6.298,1329 6.881,1330 10.812,1332 0.399,1333 2.512,1340 36.331,1341 87.732,1342 201.411,1343 263.724,1344 298.253,1345 305.763,1346 305.763,1347 36.811,1348 8.121,1349 71.54,1350 71.54,1351 29,1352 12.442,1353 4.248,1354 3.322,1355 44.02,1356 160,1357 152,1358 0.128,1359 219.637,1360 378.08,1361 527.674,1362 48322,1364 20.882,1365 0.674,1366 0.563,1367 20.882,1368 17.459,1369 15.315,1370 0.438,1371 0.309,1372 10.632,1373 14.7,1374 10.445,1375 8.621,1376 15.315,1377 10.8,1378 13.468,1379 0.287,1380 0.17,1381 13.468,1382 7.987,1383 11.297,1384 0.188,1385 0.096,1386 11.297,1387 5.736,1388 9.48,1389 0.123,1390 0.052,1391 9.48,1392 4.03,1393 7.669,1394 0.082,1395 0.031,1396 7.669,1397 2.869,1398 0.211,1399 96.042,1400 0.201,1401 30.162,1402 0.327,1403 164,1404 441.072,1405 181.159,1406 422.921,1407 590.54,1408 402,1409 189,1410 440.965,1411 206.577,1412 445.848,1413 651.41,1414 419,1415 4.9}
{0 CHEMBL2047528,1 1.432,2 20,3 6.705,4 44.956,5 153.46,6 7.049,7 0.429,8 4.388,9 4.499,10 3.903,11 3.918,12 5.453,13 3.89,14 4.932,15 5.102,16 4.208,17 4.28,18 6.016,19 4.221,20 5.192,21 5.408,22 4.198,23 4.401,24 6.118,25 4.302,26 5.239,27 5.489,28 4.11,29 4.349,30 6.146,31 4.228,32 5.171,33 5.411,34 4.051,35 4.296,36 6.101,37 4.176,38 5.168,39 5.417,40 4.009,41 4.244,42 6.099,43 4.125,44 5.08,45 5.312,46 3.934,47 4.202,48 6,49 4.083,50 5.054,51 5.29,52 3.93,53 4.182,54 5.977,55 4.063,56 0.019,57 0.996,58 16.168,59 7.357,60 8.821,61 9.503,62 0.493,63 1.606,64 30.4,65 11.833,66 50.967,67 15.882,68 0.366,69 1.954,70 41.085,71 15.59,72 50.687,73 21.09,74 0.598,75 1.995,76 44.554,77 15.863,78 66.053,79 22.152,80 0.449,81 1.875,82 41.183,83 14.864,84 62.854,85 20.555,86 0.572,87 1.825,88 41.838,89 14.536,90 73.967,91 20.143,92 0.536,93 1.713,94 37.814,95 13.295,96 63.437,97 18.169,98 0.434,99 1.677,100 36.638,101 13.07,102 55.033,103 18.075,104 10,105 54,106 0.221,107 0.525,108 0.749,109 0.874,110 0.896,111 0.896,112 3.692,113 0.963,114 -5.65,115 -5.52,116 -5.15,121 42.7,123 5,126 1,127 4,137 2,144 12,145 3,146 3,160 1,161 1,176 18,179 2,180 11,183 2,185 1,187 20,192 8,197 1,200 15,205 2,206 10,211 3,214 11,218 1,219 7,224 3,227 8,231 1,232 9,237 2,239 7,243 1,244 6,247 1,249 2,251 7,255 1,256 5,261 2,264 8,268 1,269 8,274 2,277 10,281 3896,282 26.637,283 26.637,284 26.637,285 26.637,286 26.637,287 24.023,288 31.43,289 16.543,290 27.15,291 20.837,292 20.837,293 20.837,294 20.837,295 20.837,296 16.8,297 37.091,298 8.025,299 21.63,300 4.796,301 2.818,302 1.367,303 0.553,304 0.41,305 0.41,306 4.391,313 1676,314 4.637,318 591.113,322 225.409,325 3.641,326 33.423,329 0.5,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.7,337 84,338 780,339 4.328,340 3.665,341 6.212,342 3.923,343 2.96,344 3.97,345 2.186,346 9.341,347 2.848,348 4.105,349 3.625,350 5.683,351 3.724,352 2.762,353 3.688,354 1.674,355 8.002,356 2.661,357 3.896,358 3.02,359 5.34,360 3.522,361 2.522,362 3.444,363 0.916,364 6.965,365 2.522,366 3.728,367 2.983,368 5.299,369 3.395,370 2.464,371 3.057,372 0.86,373 6.852,374 2.277,375 3.683,376 2.718,377 5.269,378 3.322,379 2.374,380 2.895,381 0.366,382 6.742,383 2.246,384 3.429,385 2.655,386 4.953,387 3.143,388 2.189,389 2.652,390 0.172,391 5.782,392 2.071,393 3.382,394 2.611,395 4.886,396 3.043,397 2.062,398 2.526,400 5.694,401 1.994,402 3.086,403 2.168,404 4.611,405 2.815,406 1.846,407 2.171,409 4.93,410 1.784,411 2.981,412 1.851,413 4.388,414 2.704,415 1.709,416 2.119,418 4.285,419 1.693,420 2.96,421 1.817,422 3.802,423 2.531,424 1.574,425 2.108,427 3.541,428 1.495,429 2.708,430 1.646,431 3.592,432 2.463,433 1.467,434 1.746,436 3.071,437 1.46,438 2.658,439 1.606,440 3.572,441 2.323,442 1.371,443 1.695,445 2.94,446 1.298,447 2.5,448 1.277,449 3.483,450 2.173,451 1.184,452 1.5,454 2.605,455 1.167,456 2.482,457 1.243,458 3.287,459 2,460 1,461 1.446,463 2.136,464 1,465 2.356,466 1,467 3.247,468 1.985,469 1,470 1.156,472 2.115,473 0.98,474 18.467,475 0.474,476 0.711,477 0.018,478 48.25,479 1.237,480 24,481 0.615,482 24.25,483 0.622,484 34.651,485 0.888,486 42.733,487 0.57,488 38.107,489 0.977,490 9.652,491 0.247,492 9.395,493 0.241,494 0.063,496 0.238,501 0.771,502 1.3,503 0.831,504 1.169,505 0.582,506 1.031,507 0.781,508 1.058,509 0.965,510 1.058,511 0.479,512 1.033,513 1.053,514 1.085,515 1.019,516 1.07,517 0.784,518 1.044,519 0.94,520 0.971,521 0.96,522 0.958,523 0.844,524 0.96,525 1.028,526 1.063,527 1.029,528 1.048,529 1.089,530 1.039,531 1.112,532 0.988,533 0.996,534 0.951,535 1.007,536 0.954,537 1.224,538 1.008,539 1.146,540 1.009,541 1.195,542 1.058,543 1.086,544 1.086,545 1.073,546 1.046,547 1.059,548 1.056,549 7,550 0.211,551 2.444,552 1.813,553 1.48,554 0.75,555 0.585,556 0.311,557 0.324,558 0.204,559 33212,560 82846,561 2.082,562 48,563 6,564 25,567 1,569 2,570 2,572 1.785,573 2,574 4.248,575 -0.434,582 107.434,583 1.432,584 3.411,585 4.862,586 5.675,587 5.819,588 5.819,589 3.721,590 5.08,591 5.254,592 4.489,593 3326.48,594 9.215,595 66826.2,600 467.161,601 1.14,602 5.24,603 0.167,604 0.006,605 0.045,606 0.035,607 0.032,608 0.017,609 0.014,610 0.008,611 0.009,612 0.005,613 0.338,614 0.17,615 0.63,616 0.42,617 229.977,618 -0.009,619 -0.13,620 0.056,621 -0.07,622 -0.013,623 -0.008,624 0.19,625 0.051,626 -0.014,627 -0.039,628 0.202,629 -0.051,630 -0.078,631 -0.081,632 -0.044,633 -0.069,634 -0.026,635 -0.053,636 0.036,637 0.003,638 0.037,639 0.009,640 0.019,641 0.021,642 -0.04,643 -0.08,644 -0.037,645 -0.074,646 -0.062,647 -0.058,648 -0.021,649 -0.03,650 0.018,651 0.009,652 -0.008,653 0.018,654 -0.108,655 -0.014,656 -0.14,657 -0.045,658 -0.145,659 -0.093,660 -0.067,661 -0.095,662 -0.078,663 -0.075,664 -0.088,665 -0.081,666 2.089,667 5.202,668 0.564,669 68.5,670 0.998,671 1.121,672 4.42,673 19.539,674 0.656,675 3.761,676 4.007,677 4.174,678 4.382,679 4.564,680 4.522,681 4.533,682 4.615,683 4.595,684 4.522,685 11.679,686 0.621,687 528.7,688 3.761,689 5.263,690 6.061,691 6.893,692 7.705,693 8.541,694 9.36,695 10.2,696 11.023,697 11.866,698 2.7,701 1,705 1,715 12,720 6,722 18,737 1,739 1,741 75,743 21,744 3,745 42,747 78,748 32,749 18,750 6,751 12,752 3,756 4,757 5,770 5,772 22,773 10,777 3,782 2,784 2,786 2,793 36,794 7,795 1,796 7,802 2,808 0.75,809 5,829 4,833 1,846 1,849 2,855 1,859 3,864 1,868 39,876 9,877 1,878 3,881 1,893 6.7,896 2,898 3,901 19.5,902 13.45,903 8.778,904 4.664,907 3.39,908 1.422,909 0.959,910 11.151,911 11.43,912 4.007,913 4.494,914 4.943,915 5.439,916 5.927,917 5.972,918 6.121,919 6.385,920 6.401,921 6.208,922 1,923 52,924 14.444,926 5.935,927 0.026,929 7.701,931 27.851,933 22.191,936 2.201,937 85.833,941 411.989,942 203.887,943 21.135,945 83.29,948 203.887,949 495.278,950 21.135,951 8.396,952 41.593,953 132.667,954 57.481,955 61.411,956 6.763,957 411.989,959 411.989,960 225.022,961 83.29,964 364.904,965 130.374,968 44.717,969 161.352,970 18.952,972 411.989,973 104.425,974 203.887,977 411.989,978 62.823,979 144.188,980 18.011,981 83.29,982 411.989,983 104.425,984 203.887,986 0.561,987 0.306,988 0.164,989 0.09,990 21,991 9,992 0.192,993 15,994 1,995 1.091,996 5.358,997 332.857,998 0.091,999 22,1000 202.131,1005 28.564,1006 15.225,1007 9.989,1009 104.425,1010 23.558,1015 5.006,1017 18.011,1018 720.3,1019 54,1024 23.626,1026 3.146,1028 -0.796,1031 74.861,1032 84.102,1034 0.23,1035 0.548,1036 0.781,1037 0.911,1038 0.934,1039 0.934,1040 5.207,1041 1.846,1042 5.989,1043 5.694,1044 4.691,1045 5.182,1046 2.897,1047 6.671,1048 4.619,1049 6.354,1050 1.709,1051 7.459,1052 4.93,1053 4.007,1054 4.718,1055 1.847,1056 7.248,1057 3.886,1058 7.606,1059 1.574,1060 9.021,1061 4.285,1062 6.159,1063 7.213,1064 3.923,1065 10.311,1066 6.01,1067 8.888,1068 1.467,1069 10.638,1070 3.541,1071 6.275,1072 7.546,1073 3.603,1074 11.727,1075 6.071,1076 10.201,1077 1.371,1078 12.291,1079 3.071,1080 7.858,1081 9.515,1082 5.196,1083 14.268,1084 7.636,1085 11.534,1086 1.184,1087 13.97,1088 2.94,1089 8.392,1090 10.258,1091 5.291,1092 16.081,1093 8.115,1094 12.885,1095 1,1096 15.669,1097 2.605,1098 9.702,1099 11.971,1100 6.578,1101 18.419,1102 9.408,1103 2.96,1104 1,1105 17.383,1106 2.136,1107 10.47,1108 12.951,1109 6.93,1110 20.435,1111 10.124,1112 2.762,1113 9.341,1114 19.11,1115 2.115,1116 11.642,1117 14.519,1118 8.023,1119 22.693,1120 11.277,1121 2.522,1122 8.002,1123 20.847,1124 3.97,1125 12.541,1126 15.644,1127 8.539,1128 24.811,1129 12.127,1130 2.464,1131 6.965,1132 22.594,1133 3.688,1134 13.648,1135 17.126,1136 9.51,1137 27.041,1138 13.21,1139 2.374,1140 6.852,1141 24.349,1142 3.444,1143 14.62,1144 18.34,1145 10.13,1146 29.213,1147 14.137,1148 2.189,1149 6.742,1150 26.111,1151 3.057,1152 15.697,1153 19.772,1154 11.027,1155 31.435,1156 15.185,1157 2.062,1158 5.782,1159 27.881,1160 2.895,1161 16.71,1162 21.043,1163 11.71,1164 33.633,1165 16.155,1166 31262,1167 49703,1168 28.602,1169 49.228,1170 60.512,1171 62.436,1172 60.602,1173 60.041,1174 60.021,1175 76.1,1176 12.351,1177 157.014,1178 57.91,1179 5.279,1180 5.665,1181 6.038,1182 5.015,1183 4.96,1184 6.97,1185 3.889,1186 15.741,1187 4.848,1188 15.413,1189 1.441,1190 1.487,1191 1.443,1192 1.43,1193 1.429,1194 1.812,1195 0.294,1196 3.738,1197 1.379,1198 4.001,1199 4.022,1200 3.95,1201 3.912,1202 7.436,1203 3.916,1204 3.939,1205 3.961,1206 3.879,1207 3.865,1208 7.432,1209 3.862,1210 3.914,1211 3.946,1212 3.837,1213 3.846,1214 4.907,1215 3.843,1216 3.706,1217 3.769,1218 3.579,1219 3.556,1220 4.814,1221 3.543,1222 3.673,1223 3.734,1224 3.541,1225 3.496,1226 4.749,1227 3.497,1228 3.504,1229 3.529,1230 3.432,1231 3.345,1232 4.511,1233 3.358,1234 3.45,1235 3.5,1236 3.343,1237 3.224,1238 4.307,1239 3.241,1240 3.314,1241 3.385,1242 3.152,1243 3.121,1244 4.217,1245 3.116,1246 0.103,1247 0.087,1248 0.148,1249 0.093,1250 0.07,1251 4.328,1252 0.095,1253 3.665,1254 0.052,1255 6.212,1256 0.222,1257 3.923,1258 0.068,1259 2.96,1260 3.97,1261 2.186,1262 9.341,1263 2.848,1264 1.931,1265 1.92,1266 2.079,1267 2.042,1268 1.364,1269 2.042,1270 1.929,1271 1.897,1272 2.035,1273 2.023,1274 1.254,1275 2.035,1276 1.91,1277 1.885,1278 2.012,1279 2.013,1280 1.131,1281 2.018,1282 1.7,1283 1.637,1284 1.934,1285 1.886,1286 1.124,1287 1.9,1288 1.648,1289 1.585,1290 1.883,1291 1.845,1292 1.095,1293 1.861,1294 1.44,1295 1.414,1296 1.654,1297 1.656,1298 0.868,1299 1.65,1300 1.387,1301 1.325,1302 1.641,1303 1.625,1304 0.783,1305 1.626,1306 1.304,1307 1.228,1308 1.562,1309 1.521,1310 0.598,1311 1.539,1312 4.443,1314 5.707,1316 7.149,1318 8.677,1320 10.254,1322 2.044,1328 7.678,1329 2.844,1330 16.535,1333 2.192,1340 46.572,1341 107.434,1342 255.845,1343 364.632,1344 425.652,1345 436.407,1346 436.407,1347 76.822,1348 8.04,1349 81.01,1350 81.01,1351 24,1352 12.434,1353 4.459,1354 3.7,1355 71.119,1356 272,1357 272,1358 0.118,1359 286.593,1360 514.29,1361 691.047,1362 51166,1364 27.288,1365 0.7,1366 0.575,1367 27.288,1368 22.435,1369 19.047,1370 0.453,1371 0.321,1372 13.315,1373 18.346,1374 13.019,1375 10.855,1376 19.047,1377 13.489,1378 16.478,1379 0.305,1380 0.179,1381 16.478,1382 9.654,1383 12.69,1384 0.198,1385 0.099,1386 12.69,1387 6.363,1388 10.373,1389 0.131,1390 0.055,1391 10.373,1392 4.362,1393 8.18,1394 0.086,1395 0.03,1396 8.18,1397 2.84,1398 0.201,1399 119.128,1400 0.187,1401 37.197,1402 0.289,1403 192,1404 576.656,1405 212.297,1406 545.874,1407 736.82,1408 512,1409 214,1410 531.723,1411 232.116,1412 533.927,1413 771.18,1414 501,1415 7.126}
{0 CHEMBL2047529,1 1.469,2 21.537,3 5.269,4 27.762,5 160.696,6 6.735,7 0.273,8 4.502,9 4.622,10 3.976,11 3.966,12 5.5,13 3.941,14 5.09,15 5.28,16 4.274,17 4.338,18 6.098,19 4.28,20 5.349,21 5.584,22 4.262,23 4.484,24 6.207,25 4.376,26 5.392,27 5.658,28 4.172,29 4.457,30 6.223,31 4.317,32 5.344,33 5.609,34 4.113,35 4.396,36 6.192,37 4.259,38 5.307,39 5.57,40 4.073,41 4.335,42 6.173,43 4.204,44 5.231,45 5.483,46 4,47 4.298,48 6.081,49 4.166,50 5.203,51 5.455,52 3.997,53 4.287,54 6.054,55 4.153,56 0.014,57 1.152,58 19.613,59 8.093,60 8.779,61 11.003,62 0.638,63 1.822,64 37.807,65 12.701,66 58.468,67 18.121,68 0.587,69 2.175,70 49.469,71 16.8,72 56.326,73 24.105,74 0.67,75 2.188,76 51.984,77 17.521,78 66.648,79 25.76,80 0.578,81 2.067,82 49.64,83 16.521,84 67.389,85 24.217,86 0.676,87 1.956,88 48.222,89 15.545,90 75.24,91 22.783,92 0.659,93 1.865,94 44.579,95 14.494,96 64.789,97 21.024,98 0.556,99 1.828,100 43.016,101 14.52,102 56.511,103 20.988,104 10,105 56,106 0.223,107 0.502,108 0.727,109 0.847,110 0.879,111 0.886,112 3.74,113 1.006,114 -3.99,115 -3.94,116 -3.73,121 38.1,123 6,126 1,127 9,137 2,144 7,145 2,146 3,160 1,161 1,176 12,179 2,180 12,183 2,185 1,187 12,191 1,192 9,197 1,200 8,205 2,206 11,211 3,214 6,218 1,219 9,224 3,227 3,231 1,232 11,237 2,239 4,243 1,244 7,247 1,251 6,255 1,256 6,259 1,264 8,268 1,269 5,274 1,277 10,281 4593,282 28.051,283 28.051,284 28.051,285 28.051,286 28.051,287 26.188,288 36.666,289 17.543,290 28.84,291 21.837,292 21.837,293 21.837,294 21.837,295 21.837,296 18.844,297 46.214,298 8.525,299 23.039,300 4.924,301 3.087,302 1.606,303 0.813,304 0.604,305 0.557,306 4.439,312 1,313 1892,314 4.848,318 635.106,322 241.836,325 3.938,326 37.5,329 0.75,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.71,337 89.5,338 883,339 4.328,340 3.665,341 6.212,342 3.923,343 2.96,344 3.97,345 2.186,346 9.341,347 2.848,348 4.105,349 3.625,350 5.683,351 3.724,352 2.762,353 3.688,354 1.674,355 8.002,356 2.661,357 3.728,358 3.02,359 5.34,360 3.439,361 2.522,362 3.057,363 0.916,364 6.965,365 2.31,366 3.683,367 2.983,368 5.299,369 3.395,370 2.464,371 2.895,372 0.86,373 6.852,374 2.277,375 3.522,376 2.885,377 5.269,378 3.322,379 2.374,380 2.652,381 0.86,382 6.742,383 2.246,384 3.429,385 2.655,386 4.953,387 3.143,388 2.19,389 2.526,390 0.8,391 5.782,392 2.072,393 3.382,394 2.611,395 4.886,396 3.043,397 2.062,398 2.522,399 0.366,400 5.694,401 1.994,402 3.086,403 2.176,404 4.611,405 2.855,406 1.876,407 2.171,408 0.172,409 4.93,410 1.836,411 2.981,412 2.168,413 4.388,414 2.761,415 1.783,416 2.108,418 4.285,419 1.732,420 2.851,421 1.893,422 3.871,423 2.532,424 1.574,425 1.852,427 3.712,428 1.495,429 2.665,430 1.817,431 3.655,432 2.484,433 1.553,434 1.734,436 3.217,437 1.449,438 2.57,439 1.646,440 3.579,441 2.325,442 1.376,443 1.567,445 2.944,446 1.298,447 2.482,448 1.575,449 3.488,450 2.243,451 1.314,452 1.446,454 2.749,455 1.203,456 2.356,457 1.276,458 3.417,459 2.166,460 1.177,461 1.335,463 2.586,464 1.159,465 2.344,466 1.256,467 3.287,468 1.952,469 1,470 1.156,472 2.136,473 0.946,474 19.2,475 0.468,476 0.711,477 0.017,478 44.5,479 1.085,480 18,481 0.439,482 26.5,483 0.646,484 41.615,485 1.015,486 47.4,487 0.564,488 35.569,489 0.868,490 8.751,491 0.213,492 11.296,493 0.276,494 0.061,496 0.224,501 0.808,502 1.529,503 0.873,504 1.336,505 0.584,506 1.144,507 0.979,508 1.092,509 1.03,510 1.055,511 0.531,512 1.037,513 1.047,514 1.036,515 1.032,516 1.032,517 0.76,518 1.028,519 0.794,520 0.99,521 0.923,522 0.993,523 0.755,524 0.98,525 0.912,526 1.003,527 0.95,528 0.999,529 0.982,530 0.984,531 1.015,532 0.976,533 0.959,534 0.95,535 0.946,536 0.946,537 1.119,538 0.952,539 1.091,540 0.974,541 1.117,542 1.02,543 0.98,544 1.011,545 1.037,546 1.035,547 0.998,548 1.046,549 7,550 0.211,551 2.444,552 1.813,553 1.48,554 0.75,555 0.585,556 0.342,557 0.3,558 0.184,559 39146,560 94259,561 2.078,562 51.2,563 6,564 30,567 1,569 4,570 2,572 1.797,573 2,574 4.348,575 -0.4,582 123.361,583 1.469,584 3.306,585 4.786,586 5.58,587 5.788,588 5.836,589 3.832,590 5.095,591 5.325,592 4.596,593 3768.89,594 9.355,595 80358.9,600 536.955,601 1.11,602 5.314,603 0.159,604 0.005,605 0.044,606 0.034,607 0.031,608 0.017,609 0.014,610 0.009,611 0.007,612 0.005,613 0.324,614 0.33,615 0.75,616 0.407,617 246.633,618 -0.009,619 -0.24,620 0.068,621 -0.133,622 0.007,623 -0.036,624 0.08,625 0.062,626 -0.032,627 -0.015,628 0.176,629 -0.033,630 -0.079,631 -0.01,632 -0.049,633 -0.024,634 -0.012,635 -0.029,636 0.044,637 -0.02,638 0.045,639 -0.01,640 0.051,641 0.015,642 -0.022,643 -0.039,644 0.025,645 -0.021,646 -0.019,647 0.005,648 -0.021,649 -0.028,650 0.032,651 0.014,652 0.016,653 0.03,654 -0.101,655 0.036,656 -0.097,657 -0.003,658 -0.112,659 -0.044,660 -0.048,661 -0.022,662 -0.058,663 -0.045,664 -0.069,665 -0.054,666 2.076,667 5.242,668 0.537,669 78.613,670 0.999,671 1.132,672 2.759,673 7.61,674 0.631,675 3.807,676 4.043,677 4.205,678 4.407,679 4.585,680 4.543,681 4.554,682 4.635,683 4.605,684 4.533,685 12.537,686 0.594,687 565.78,688 3.807,689 5.303,690 6.098,691 6.925,692 7.733,693 8.566,694 9.382,695 10.219,696 11.04,697 11.88,698 3.6,701 2,705 1,715 7,720 5,722 12,737 1,739 1,741 84,743 15,744 2,745 44,747 87,748 32,749 12,750 5,751 7,752 3,756 4,757 5,770 6,772 16,773 16,777 3,782 2,784 2,786 2,793 43,794 9,795 1,796 9,802 3,808 0.75,809 6,829 4,833 1,846 1,849 2,855 2,858 1,859 3,864 1,868 41,876 15,877 1,878 4,881 2,893 7.1,896 2,897 1,898 3,901 20.5,902 14.9,903 9.278,904 5.394,907 2.665,908 1.328,909 0.942,910 13.142,911 10.779,912 3.989,913 4.419,914 4.824,915 5.296,916 5.771,917 5.899,918 6.059,919 6.337,920 6.348,921 6.136,922 1,923 54,924 15.237,926 6.234,927 0.026,929 7.663,931 29.681,933 23.734,936 2.163,937 88.667,941 494.386,942 171.356,943 24.259,945 94.289,948 171.356,949 588.676,950 24.259,951 8.396,952 59.629,953 85.286,954 68.481,955 61.35,956 6.763,957 494.386,959 494.386,960 195.616,961 94.289,964 423.76,965 153.916,966 11,968 65.878,969 110.785,970 18.952,972 494.386,973 118.549,974 171.356,977 494.386,978 77.674,979 99.931,980 18.011,981 94.289,982 494.386,983 118.549,984 171.356,986 0.558,987 0.303,988 0.162,989 0.089,990 21,991 9,992 0.195,993 17,994 1,995 1.091,996 5.582,997 350.818,998 0.091,999 22,1000 211.66,1005 31.201,1006 17.27,1007 11.576,1009 118.549,1010 13.148,1015 3.676,1017 18.011,1018 784.292,1019 53,1024 23.679,1026 3.15,1028 -0.782,1031 83.941,1032 95.055,1034 0.23,1035 0.517,1036 0.749,1037 0.873,1038 0.905,1039 0.913,1040 5.198,1041 1.876,1042 6.019,1043 5.694,1044 4.727,1045 5.106,1046 3.024,1047 6.691,1048 4.626,1049 6.316,1050 1.783,1051 7.482,1052 4.93,1053 4.007,1054 4.649,1055 1.905,1056 7.248,1057 3.852,1058 7.556,1059 1.574,1060 9.037,1061 4.285,1062 6.184,1063 7.065,1064 3.953,1065 10.317,1066 5.983,1067 8.825,1068 1.553,1069 10.65,1070 3.712,1071 6.275,1072 7.444,1073 3.612,1074 11.727,1075 6.017,1076 10.128,1077 1.376,1078 12.299,1079 3.217,1080 7.874,1081 9.339,1082 5.202,1083 14.27,1084 7.579,1085 11.454,1086 1.314,1087 13.976,1088 2.944,1089 8.392,1090 10.144,1091 5.292,1092 16.081,1093 8.046,1094 12.799,1095 1.177,1096 15.673,1097 2.749,1098 9.71,1099 11.799,1100 6.579,1101 18.419,1102 9.331,1103 2.96,1104 1,1105 17.386,1106 2.586,1107 10.47,1108 12.838,1109 6.931,1110 20.435,1111 10.045,1112 2.762,1113 9.341,1114 19.112,1115 2.136,1116 11.647,1117 14.367,1118 8.023,1119 22.693,1120 11.191,1121 2.522,1122 8.002,1123 20.848,1124 3.97,1125 12.541,1126 15.541,1127 8.539,1128 24.811,1129 12.045,1130 2.464,1131 6.965,1132 22.595,1133 3.688,1134 13.65,1135 16.999,1136 9.51,1137 27.042,1138 13.123,1139 2.374,1140 6.852,1141 24.35,1142 3.057,1143 14.62,1144 18.252,1145 10.13,1146 29.213,1147 14.056,1148 2.19,1149 6.742,1150 26.112,1151 2.895,1152 15.698,1153 19.67,1154 11.027,1155 31.435,1156 15.104,1157 2.062,1158 5.782,1159 27.881,1160 2.652,1161 16.71,1162 20.969,1163 11.71,1164 33.633,1165 16.08,1166 36908,1167 57688,1168 29.989,1169 52.972,1170 62.864,1171 65.061,1172 63.143,1173 62.568,1174 62.559,1175 74.474,1176 15.671,1177 162.087,1178 59.429,1179 5.328,1180 5.665,1181 6.102,1182 5.027,1183 4.96,1184 6.97,1185 3.889,1186 15.741,1187 4.848,1188 15.995,1189 1.429,1190 1.479,1191 1.435,1192 1.422,1193 1.422,1194 1.693,1195 0.356,1196 3.684,1197 1.351,1198 3.998,1199 4.019,1200 3.949,1201 3.905,1202 7.436,1203 3.911,1204 3.934,1205 3.956,1206 3.876,1207 3.853,1208 7.432,1209 3.853,1210 3.843,1211 3.904,1212 3.713,1213 3.68,1214 4.906,1215 3.673,1216 3.727,1217 3.792,1218 3.59,1219 3.539,1220 4.813,1221 3.542,1222 3.677,1223 3.737,1224 3.548,1225 3.495,1226 4.627,1227 3.497,1228 3.546,1229 3.607,1230 3.442,1231 3.346,1232 4.511,1233 3.359,1234 3.498,1235 3.523,1236 3.404,1237 3.337,1238 4.309,1239 3.337,1240 3.345,1241 3.398,1242 3.202,1243 3.132,1244 4.232,1245 3.139,1246 0.098,1247 0.083,1248 0.141,1249 0.089,1250 0.067,1251 4.328,1252 0.09,1253 3.665,1254 0.05,1255 6.212,1256 0.212,1257 3.923,1258 0.065,1259 2.96,1260 3.97,1261 2.186,1262 9.341,1263 2.848,1264 1.931,1265 1.92,1266 2.046,1267 2.042,1268 1.4,1269 2.037,1270 1.91,1271 1.885,1272 2.034,1273 2.021,1274 1.254,1275 2.022,1276 1.808,1277 1.745,1278 2.012,1279 2.007,1280 1.246,1281 2.015,1282 1.701,1283 1.637,1284 1.937,1285 1.917,1286 1.13,1287 1.931,1288 1.648,1289 1.585,1290 1.883,1291 1.853,1292 1.096,1293 1.865,1294 1.509,1295 1.442,1296 1.784,1297 1.744,1298 1.085,1299 1.756,1300 1.439,1301 1.413,1302 1.644,1303 1.642,1304 0.825,1305 1.636,1306 1.309,1307 1.24,1308 1.562,1309 1.539,1310 0.787,1311 1.543,1312 4.489,1314 5.746,1316 7.18,1318 8.701,1320 10.272,1322 2.049,1328 14.252,1329 2.865,1330 21.958,1333 4.672,1340 49.889,1341 123.361,1342 277.68,1343 402.045,1344 468.69,1345 486.2,1346 490.2,1347 86.122,1348 8.114,1349 93.48,1350 93.48,1351 24,1352 12.45,1353 4,1354 3.322,1355 76.985,1356 307,1357 312,1358 0.113,1359 306.166,1360 552.9,1361 738.804,1362 57952,1364 28.702,1365 0.7,1366 0.589,1367 28.702,1368 24.147,1369 20.047,1370 0.456,1371 0.335,1372 14.506,1373 19.094,1374 14.226,1375 11.791,1376 20.047,1377 14.75,1378 17.185,1379 0.307,1380 0.189,1381 17.185,1382 10.579,1383 13.19,1384 0.2,1385 0.108,1386 13.19,1387 7.133,1388 10.727,1389 0.132,1390 0.061,1391 10.727,1392 4.902,1393 8.43,1394 0.087,1395 0.033,1396 8.43,1397 3.224,1398 0.193,1399 126.74,1400 0.183,1401 38.92,1402 0.274,1403 200,1404 616.036,1405 225.257,1406 569.394,1407 762.15,1408 536,1409 222,1410 539.472,1411 245.382,1412 536.548,1413 778.7,1414 503,1415 6.924}
{0 CHEMBL2047530,1 1.464,2 21.535,3 7.158,4 51.237,5 166.809,6 7.247,7 0.511,8 4.463,9 4.572,10 4.006,11 4.006,12 5.543,13 3.984,14 5.005,15 5.17,16 4.329,17 4.378,18 6.076,19 4.328,20 5.268,21 5.474,22 4.375,23 4.5,24 6.246,25 4.424,26 5.325,27 5.559,28 4.312,29 4.45,30 6.352,31 4.358,32 5.244,33 5.47,34 4.196,35 4.408,36 6.215,37 4.304,38 5.243,39 5.486,40 4.131,41 4.363,42 6.176,43 4.245,44 5.166,45 5.4,46 4.051,47 4.297,48 6.082,49 4.181,50 5.122,51 5.355,52 4.024,53 4.248,54 6.055,55 4.139,56 0.012,57 1.083,58 16.616,59 7.682,60 9.414,61 9.819,62 0.439,63 1.76,64 31.601,65 12.485,66 42.671,67 16.543,68 0.339,69 2.148,70 43.46,71 16.618,72 50.997,73 22.141,74 0.805,75 2.194,76 48.43,77 16.994,78 93.178,79 23.153,80 0.504,81 2.059,82 43.757,83 15.978,84 71.501,85 21.584,86 0.613,87 2.027,88 44.583,89 16.013,90 76.99,91 22.003,92 0.523,93 1.896,94 40.9,95 14.708,96 64.918,97 19.957,98 0.494,99 1.808,100 39.21,101 13.857,102 60.699,103 18.813,104 10,105 62,106 0.221,107 0.527,108 0.743,109 0.874,110 0.898,111 0.898,112 3.787,113 0.942,114 -4.92,115 -4.83,116 -4.53,121 43.8,123 5,126 1,127 4,144 14,145 4,146 3,147 1,149 1,159 1,161 1,176 18,179 2,180 14,183 2,185 1,187 20,192 10,197 1,200 14,205 4,206 14,211 3,214 13,218 1,219 6,224 3,227 11,231 2,232 9,237 2,239 9,243 1,244 7,247 1,249 2,251 6,255 1,256 7,261 2,264 8,268 1,269 7,274 2,277 11,281 4843,282 29.551,283 29.551,284 29.551,285 29.551,286 29.551,287 26.417,288 33.77,289 18.179,290 30.121,291 23.298,292 23.298,293 23.298,294 23.298,295 23.298,296 18.533,297 41.452,298 8.774,299 24.197,300 4.858,301 2.836,302 1.41,303 0.544,304 0.384,305 0.384,306 4.495,312 1,313 2023,314 4.743,318 728.454,322 421.815,325 3.753,326 39.828,329 0.75,330 0.67,331 0.67,332 0.7,333 0.5,334 0.67,335 0.5,336 0.64,337 92.5,338 926,339 4.553,340 3.692,341 6.774,342 4.198,343 3.215,344 4.198,345 2.186,346 11.061,347 3.169,348 4.105,349 3.665,350 6.011,351 3.724,352 2.762,353 3.688,354 0.916,355 8.529,356 2.661,357 4.048,358 3,359 5.683,360 3.606,361 2.643,362 3.676,363 0.86,364 8.002,365 2.544,366 3.896,367 2.98,368 5.408,369 3.522,370 2.522,371 3.444,372 0.86,373 6.965,374 2.522,375 3.684,376 2.82,377 5.34,378 3.393,379 2.462,380 2.964,381 0.366,382 6.915,383 2.275,384 3.617,385 2.718,386 5.298,387 3.222,388 2.272,389 2.895,390 0.172,391 6.849,392 2.145,393 3.387,394 2.634,395 5.125,396 3.137,397 2.185,398 2.527,400 6.041,401 2.064,402 3.307,403 2.491,404 4.886,405 2.94,406 2.009,407 2.503,409 5.694,410 1.847,411 3.086,412 2.167,413 4.611,414 2.813,415 1.846,416 2.171,418 4.93,419 1.78,420 2.96,421 1.851,422 4.125,423 2.704,424 1.708,425 2.119,427 3.541,428 1.693,429 2.904,430 1.708,431 3.802,432 2.464,433 1.468,434 2.08,436 3.384,437 1.46,438 2.715,439 1.606,440 3.719,441 2.422,442 1.451,443 1.811,445 3.095,446 1.403,447 2.708,448 1.571,449 3.592,450 2.317,451 1.36,452 1.746,454 3.069,455 1.293,456 2.657,457 1.37,458 3.574,459 2.224,460 1.255,461 1.695,463 2.926,464 1.211,465 2.5,466 1.298,467 3.492,468 2.172,469 1.184,470 1.5,472 2.605,473 1.166,474 20.367,475 0.474,476 0.797,477 0.019,478 55.75,479 1.297,480 28.5,481 0.663,482 27.25,483 0.634,484 38.373,485 0.892,486 46.233,487 0.578,488 45.351,489 1.055,490 11.031,491 0.257,492 10.016,493 0.233,494 0.057,496 0.265,501 0.769,502 1.285,503 0.799,504 1.134,505 0.581,506 0.995,507 0.833,508 1.039,509 0.937,510 1.03,511 0.555,512 0.995,513 1.08,514 1.102,515 0.96,516 1.072,517 0.822,518 1.009,519 1.066,520 0.938,521 0.947,522 0.922,523 1.034,524 0.918,525 1.145,526 1.039,527 1.063,528 1.03,529 1.265,530 1.034,531 1.02,532 0.992,533 1.006,534 0.983,535 0.929,536 0.993,537 1.151,538 1.016,539 1.105,540 1.036,541 1.066,542 1.061,543 1.216,544 1.042,545 1.096,546 1.019,547 1.1,548 1.037,549 7,550 0.24,551 3.111,552 2.563,553 2.004,554 0.903,555 0.705,556 0.358,557 0.357,558 0.209,559 44183,560 109285,561 2.114,562 46.3,563 6,564 25,566 1,567 1,569 2,570 2,572 1.808,573 2.031,574 4.332,575 -0.438,582 117.115,583 1.464,584 3.486,585 4.912,586 5.778,587 5.937,588 5.937,589 3.824,590 5.24,591 5.396,592 4.578,593 4134.06,594 9.494,595 88921.9,600 505.754,601 1.154,602 5.381,603 0.149,604 0.006,605 0.05,606 0.041,607 0.035,608 0.018,609 0.015,610 0.008,611 0.009,612 0.005,613 0.335,614 0.17,615 0.63,616 0.394,617 260.405,618 -0.011,619 -0.137,620 0.06,621 -0.066,622 -0.01,623 -0.004,624 0.131,625 0.061,626 -0.002,627 -0.023,628 0.128,629 -0.029,630 -0.056,631 -0.103,632 0.017,633 -0.072,634 0.01,635 -0.024,636 0.096,637 0.032,638 0.074,639 0.045,640 0.101,641 0.055,642 -0.081,643 -0.058,644 -0.064,645 -0.049,646 -0.105,647 -0.054,648 0.014,649 -0.033,650 0.002,651 -0.007,652 -0.011,653 -0.006,654 -0.076,655 -0.039,656 -0.099,657 -0.063,658 -0.108,659 -0.084,660 -0.099,661 -0.064,662 -0.084,663 -0.05,664 -0.102,665 -0.064,666 2.094,667 5.696,668 0.605,669 77.335,670 1,671 1.12,672 3.691,673 13.622,674 0.665,675 3.871,676 4.143,677 4.369,678 4.615,679 4.828,680 4.868,681 4.963,682 5.075,683 5.13,684 5.088,685 12.41,686 0.632,687 579.75,688 3.871,689 5.389,690 6.213,691 7.064,692 7.904,693 8.765,694 9.614,695 10.482,696 11.34,697 12.214,698 3.8,701 1,705 1,708 1,715 15,716 1,720 8,722 24,727 1,737 1,739 2,741 80,743 26,744 3,745 47,747 84,748 35,749 23,750 6,751 12,752 1,756 5,757 8,770 5,772 25,773 10,777 2,782 2,786 2,793 37,794 8,795 1,796 8,802 3,808 0.6,809 5,822 1,829 5,833 2,855 1,859 3,864 1,868 43,876 9,877 1,878 3,881 1,893 6.3,896 2,898 3,901 21.167,902 14.483,903 9.611,904 4.996,907 4.306,908 1.493,909 0.976,910 10.932,911 13.042,912 4.127,913 4.654,914 5.165,915 5.7,916 6.208,917 6.341,918 6.652,919 6.992,920 7.256,921 7.433,922 1,923 63,924 15.952,926 6.682,927 0.026,929 7.69,931 30.685,933 24.798,936 2.19,937 94.167,941 423.76,942 218.877,943 37.921,945 83.29,948 218.877,949 507.049,950 37.921,951 8.396,952 41.593,953 132.667,954 83.98,955 73.644,956 11.577,957 411.989,959 423.76,960 256.797,961 83.29,964 376.675,965 130.374,968 53.765,969 186.247,970 16.786,972 423.76,973 121.21,974 218.877,977 423.76,978 68.765,979 153.236,980 18.011,981 100.075,982 423.76,983 121.21,984 218.877,986 0.565,987 0.319,988 0.175,989 0.095,990 26,991 11,992 0.179,993 15,994 2,995 1.154,996 5.662,997 395.383,998 0.154,999 26,1000 227.329,1005 30.432,1006 15.446,1007 8.981,1009 121.21,1010 28.355,1011 4.158,1015 5.322,1017 18.011,1018 763.846,1019 61,1024 24.952,1028 -0.527,1031 79.963,1032 89.6,1034 0.232,1035 0.551,1036 0.777,1037 0.914,1038 0.939,1039 0.939,1040 5.338,1041 2.009,1042 6.155,1043 6.041,1044 4.828,1045 5.342,1046 2.639,1047 6.895,1048 4.758,1049 6.5,1050 1.846,1051 7.661,1052 5.694,1053 4.205,1054 4.934,1055 1.847,1056 7.633,1057 4.102,1058 7.77,1059 1.708,1060 9.267,1061 4.93,1062 6.344,1063 7.429,1064 3.582,1065 10.753,1066 6.21,1067 9.073,1068 1.468,1069 10.938,1070 3.541,1071 6.567,1072 7.852,1073 3.603,1074 12.388,1075 6.415,1076 10.411,1077 1.451,1078 12.653,1079 3.384,1080 8.128,1081 9.804,1082 4.922,1083 15.02,1084 7.951,1085 11.773,1086 1.36,1087 14.399,1088 3.095,1089 8.788,1090 10.649,1091 5.291,1092 17.064,1093 8.603,1094 13.157,1095 1.255,1096 16.171,1097 3.069,1098 10.093,1099 12.345,1100 6.39,1101 19.537,1102 9.889,1103 3.215,1104 1.184,1105 17.964,1106 2.926,1107 10.988,1108 13.425,1109 6.93,1110 21.773,1111 10.78,1112 2.762,1113 11.061,1114 19.773,1115 2.605,1116 12.183,1117 14.987,1118 7.902,1119 24.195,1120 11.961,1121 2.643,1122 8.529,1123 21.596,1124 4.198,1125 13.202,1126 16.204,1127 8.539,1128 26.52,1129 12.975,1130 2.522,1131 8.002,1132 23.432,1133 3.688,1134 14.357,1135 17.693,1136 9.436,1137 28.926,1138 14.119,1139 2.462,1140 6.965,1141 25.278,1142 3.676,1143 15.44,1144 18.992,1145 10.13,1146 31.291,1147 15.196,1148 2.272,1149 6.915,1150 27.134,1151 3.444,1152 16.584,1153 20.444,1154 10.981,1155 33.693,1156 16.331,1157 2.185,1158 6.849,1159 28.998,1160 2.964,1161 17.702,1162 21.792,1163 11.71,1164 36.078,1165 17.441,1166 40956,1167 64816,1168 32.186,1169 53.233,1170 68.419,1171 70.717,1172 69.247,1173 67.929,1174 67.86,1175 87.192,1176 10.723,1177 183.127,1178 65.501,1179 5.504,1180 5.692,1181 6.6,1182 5.302,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.169,1188 16.236,1189 1.456,1190 1.505,1191 1.473,1192 1.445,1193 1.444,1194 1.855,1195 0.228,1196 3.896,1197 1.394,1198 4.043,1199 4.057,1200 4.01,1201 3.945,1202 7.435,1203 3.957,1204 3.949,1205 3.978,1206 3.884,1207 3.872,1208 7.427,1209 3.868,1210 3.914,1211 3.947,1212 3.837,1213 3.847,1214 5.009,1215 3.843,1216 3.764,1217 3.797,1218 3.703,1219 3.663,1220 4.817,1221 3.668,1222 3.703,1223 3.766,1224 3.575,1225 3.556,1226 4.769,1227 3.543,1228 3.654,1229 3.717,1230 3.519,1231 3.485,1232 4.749,1233 3.483,1234 3.456,1235 3.508,1236 3.349,1237 3.225,1238 4.399,1239 3.243,1240 3.353,1241 3.422,1242 3.23,1243 3.145,1244 4.302,1245 3.151,1246 0.097,1247 0.079,1248 0.144,1249 0.089,1250 0.068,1251 4.553,1252 0.089,1253 3.692,1254 0.047,1255 6.774,1256 0.235,1257 4.198,1258 0.067,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.169,1264 1.963,1265 1.954,1266 2.079,1267 2.079,1268 1.364,1269 2.061,1270 1.929,1271 1.897,1272 2.037,1273 2.027,1274 1.254,1275 2.042,1276 1.91,1277 1.885,1278 2.023,1279 2.015,1280 1.136,1281 2.025,1282 1.737,1283 1.707,1284 1.934,1285 1.894,1286 1.125,1287 1.902,1288 1.7,1289 1.637,1290 1.894,1291 1.868,1292 1.103,1293 1.882,1294 1.635,1295 1.57,1296 1.828,1297 1.809,1298 0.897,1299 1.819,1300 1.389,1301 1.327,1302 1.653,1303 1.644,1304 0.868,1305 1.643,1306 1.324,1307 1.251,1308 1.63,1309 1.571,1310 0.78,1311 1.593,1312 4.554,1314 5.838,1316 7.313,1318 8.884,1320 10.513,1322 2.042,1328 7.569,1329 2.848,1330 17.257,1333 2.19,1340 50.594,1341 117.115,1342 278.854,1343 392.942,1344 462.244,1345 474.999,1346 474.999,1347 86.222,1348 8.736,1349 93.9,1350 93.9,1351 30,1352 12.758,1353 4.755,1354 3.907,1355 72.248,1356 323,1357 329,1358 0.102,1359 308.916,1360 548.65,1361 745.515,1362 119837,1364 29.857,1365 0.694,1366 0.569,1367 29.857,1368 24.46,1369 21.047,1370 0.448,1371 0.314,1372 14.576,1373 20.291,1374 14.263,1375 11.866,1376 21.047,1377 14.765,1378 18.267,1379 0.295,1380 0.172,1381 18.267,1382 10.645,1383 14.78,1384 0.189,1385 0.092,1386 14.78,1387 7.189,1388 12.423,1389 0.124,1390 0.05,1391 12.423,1392 4.99,1393 9.833,1394 0.079,1395 0.027,1396 9.833,1397 3.287,1398 0.173,1399 131.582,1400 0.176,1401 40.087,1402 0.249,1403 218,1404 646.301,1405 239.908,1406 615.184,1407 839.2,1408 578,1409 249,1410 614.188,1411 270.276,1412 617.932,1413 900.91,1414 581,1415 7.048}
{0 CHEMBL2047531,1 1.495,2 23.044,3 5.722,4 32.742,5 174.045,6 6.931,7 0.367,8 4.569,9 4.687,10 4.072,11 4.05,12 5.586,13 4.03,14 5.153,15 5.338,16 4.387,17 4.43,18 6.154,19 4.381,20 5.414,21 5.639,22 4.428,23 4.575,24 6.325,25 4.489,26 5.466,27 5.717,28 4.363,29 4.549,30 6.415,31 4.437,32 5.406,33 5.658,34 4.25,35 4.498,36 6.297,37 4.377,38 5.373,39 5.63,40 4.187,41 4.444,42 6.245,43 4.315,44 5.306,45 5.558,46 4.11,47 4.384,48 6.157,49 4.257,50 5.262,51 5.51,52 4.085,53 4.346,54 6.126,55 4.223,56 0.013,57 1.248,58 20.129,59 8.496,60 9.82,61 11.394,62 0.594,63 1.992,64 39.279,65 13.513,66 50.895,67 18.946,68 0.572,69 2.388,70 52.303,71 17.972,72 58.699,73 25.369,74 0.887,75 2.4,76 56.342,77 18.779,78 95.777,79 27.065,80 0.645,81 2.274,82 52.788,83 17.864,84 76.953,85 25.641,86 0.727,87 2.176,88 51.346,89 17.205,90 79.403,91 24.858,92 0.654,93 2.053,94 47.933,95 15.97,96 67.607,97 22.898,98 0.625,99 1.962,100 45.819,101 15.351,102 63.027,103 21.882,104 10,105 64,106 0.223,107 0.509,108 0.725,109 0.849,110 0.881,111 0.888,112 3.831,113 0.981,114 -3.66,115 -3.63,116 -3.46,121 39.3,123 6,126 1,127 9,144 9,145 3,146 3,147 1,149 1,159 1,161 1,176 12,179 2,180 15,183 2,185 1,187 12,191 1,192 11,197 1,200 7,205 4,206 15,211 3,214 8,218 1,219 8,224 3,227 6,231 2,232 11,237 2,239 6,243 1,244 8,247 1,251 5,255 1,256 8,259 1,264 8,268 1,269 4,274 1,277 11,281 5741,282 30.965,283 30.965,284 30.965,285 30.965,286 30.965,287 28.583,288 39.005,289 19.179,290 31.81,291 24.298,292 24.298,293 24.298,294 24.298,295 24.298,296 20.577,297 50.576,298 9.274,299 25.606,300 4.98,301 3.066,302 1.616,303 0.789,304 0.57,305 0.525,306 4.538,312 1,313 2259,314 4.95,318 780.952,322 452.435,325 4.088,326 43.929,329 0.75,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.71,337 98,338 1037,339 4.553,340 3.692,341 6.774,342 4.198,343 3.215,344 4.198,345 2.186,346 11.061,347 3.169,348 4.105,349 3.665,350 6.011,351 3.724,352 2.762,353 3.688,354 0.916,355 8.529,356 2.661,357 4.048,358 3,359 5.683,360 3.606,361 2.643,362 3.676,363 0.86,364 8.002,365 2.544,366 3.684,367 2.98,368 5.408,369 3.439,370 2.522,371 2.964,372 0.86,373 6.965,374 2.31,375 3.617,376 2.885,377 5.34,378 3.393,379 2.462,380 2.895,381 0.86,382 6.915,383 2.275,384 3.522,385 2.82,386 5.298,387 3.222,388 2.272,389 2.528,390 0.8,391 6.849,392 2.145,393 3.387,394 2.634,395 5.125,396 3.138,397 2.186,398 2.522,399 0.366,400 6.041,401 2.065,402 3.307,403 2.491,404 4.886,405 2.94,406 2.009,407 2.503,408 0.172,409 5.694,410 1.851,411 3.086,412 2.176,413 4.611,414 2.853,415 1.875,416 2.171,418 4.93,419 1.829,420 2.904,421 2.167,422 4.125,423 2.76,424 1.782,425 2.08,427 3.712,428 1.73,429 2.851,430 1.893,431 3.871,432 2.485,433 1.553,434 1.852,436 3.384,437 1.45,438 2.715,439 1.708,440 3.719,441 2.422,442 1.453,443 1.811,445 3.217,446 1.403,447 2.664,448 1.575,449 3.655,450 2.319,451 1.366,452 1.733,454 3.094,455 1.294,456 2.57,457 1.571,458 3.58,459 2.244,460 1.313,461 1.567,463 2.93,464 1.212,465 2.478,466 1.37,467 3.497,468 2.224,469 1.255,470 1.451,472 2.749,473 1.202,474 21.1,475 0.469,476 0.797,477 0.018,478 52,479 1.156,480 22.5,481 0.5,482 29.5,483 0.656,484 45.454,485 1.01,486 50.9,487 0.572,488 42.813,489 0.951,490 10.13,491 0.225,492 11.917,493 0.265,494 0.055,496 0.251,501 0.805,502 1.491,503 0.84,504 1.286,505 0.582,506 1.098,507 1.014,508 1.069,509 1,510 1.024,511 0.598,512 0.998,513 1.07,514 1.052,515 0.978,516 1.031,517 0.795,518 0.993,519 0.899,520 0.956,521 0.911,522 0.954,523 0.928,524 0.938,525 1.008,526 0.983,527 0.979,528 0.981,529 1.14,530 0.978,531 0.946,532 0.978,533 0.968,534 0.975,535 0.876,536 0.977,537 1.065,538 0.962,539 1.056,540 0.997,541 1.004,542 1.022,543 1.088,544 0.974,545 1.055,546 1.006,547 1.036,548 1.024,549 7,550 0.239,551 3.111,552 2.563,553 2.004,554 0.903,555 0.705,556 0.389,557 0.332,558 0.189,559 51345,560 122902,561 2.109,562 49.4,563 6,564 30,566 1,567 1,569 4,570 2,572 1.818,573 2.03,574 4.424,575 -0.407,582 133.091,583 1.495,584 3.41,585 4.86,586 5.686,587 5.905,588 5.95,589 3.906,590 5.359,591 5.46,592 4.678,593 4631.04,594 9.621,595 105334,600 576.34,601 1.128,602 5.448,603 0.143,604 0.006,605 0.049,606 0.039,607 0.034,608 0.017,609 0.014,610 0.009,611 0.008,612 0.004,613 0.322,614 0.33,615 0.5,616 0.383,617 277.454,618 -0.011,619 -0.235,620 0.071,621 -0.122,622 0.01,623 -0.028,624 0.036,625 0.074,626 -0.019,627 0.004,628 0.112,629 -0.009,630 -0.062,631 -0.031,632 0.007,633 -0.024,634 0.023,635 0.001,636 0.091,637 0.007,638 0.082,639 0.026,640 0.132,641 0.049,642 -0.055,643 -0.018,644 0.007,645 0.006,646 -0.053,647 0.015,648 0.007,649 -0.025,650 0.021,651 0.005,652 0.012,653 0.013,654 -0.074,655 0.01,656 -0.064,657 -0.021,658 -0.081,659 -0.038,660 -0.074,661 -0.004,662 -0.061,663 -0.025,664 -0.08,665 -0.04,666 2.081,667 5.708,668 0.578,669 88.42,670 1,671 1.13,672 2.431,673 5.91,674 0.64,675 3.912,676 4.174,677 4.394,678 4.635,679 4.844,680 4.883,681 4.977,682 5.088,683 5.136,684 5.094,685 13.266,686 0.606,687 616.83,688 3.912,689 5.425,690 6.244,691 7.091,692 7.927,693 8.784,694 9.631,695 10.497,696 11.352,697 12.224,698 4.5,701 2,705 1,708 1,715 10,716 1,720 7,722 18,727 1,737 1,739 2,741 89,743 20,744 2,745 49,747 93,748 35,749 17,750 5,751 7,752 1,756 5,757 8,770 6,772 19,773 16,777 2,782 2,786 2,793 44,794 10,795 1,796 10,802 4,808 0.6,809 6,822 1,829 5,833 2,855 2,858 1,859 3,864 1,868 45,876 15,877 1,878 4,881 2,893 6.7,896 2,897 1,898 3,901 22.167,902 15.933,903 10.111,904 5.726,907 3.596,908 1.409,909 0.958,910 12.774,911 12.397,912 4.111,913 4.59,914 5.07,915 5.592,916 6.093,917 6.292,918 6.615,919 6.966,920 7.234,921 7.412,922 1,923 65,924 16.746,926 6.981,927 0.026,929 7.656,931 32.515,933 26.342,936 2.156,937 97,941 506.157,942 186.346,943 41.045,945 94.289,948 186.346,949 600.447,950 41.045,951 8.396,952 59.629,953 85.286,954 94.98,955 73.583,956 11.577,957 494.386,959 506.157,960 227.391,961 94.289,964 435.531,965 153.916,966 11,968 74.925,969 135.68,970 16.786,972 506.157,973 135.334,974 186.346,977 506.157,978 83.616,979 108.979,980 18.011,981 111.075,982 506.157,983 135.334,984 186.346,986 0.562,987 0.316,988 0.173,989 0.093,990 26,991 11,992 0.183,993 17,994 2,995 1.154,996 5.881,997 413.922,998 0.154,999 26,1000 241.133,1005 33.05,1006 17.392,1007 10.349,1009 135.334,1010 17.953,1011 4.162,1015 3.998,1017 18.011,1018 827.838,1019 60,1024 25.005,1028 -0.512,1031 89.043,1032 100.554,1034 0.231,1035 0.527,1036 0.751,1037 0.878,1038 0.912,1039 0.919,1040 5.33,1041 2.009,1042 6.18,1043 6.041,1044 4.86,1045 5.278,1046 2.8,1047 6.911,1048 4.764,1049 6.467,1050 1.875,1051 7.679,1052 5.694,1053 4.205,1054 4.879,1055 1.905,1056 7.633,1057 4.075,1058 7.727,1059 1.782,1060 9.281,1061 4.93,1062 6.365,1063 7.312,1064 3.624,1065 10.757,1066 6.188,1067 9.021,1068 1.553,1069 10.947,1070 3.712,1071 6.567,1072 7.779,1073 3.612,1074 12.388,1075 6.377,1076 10.352,1077 1.453,1078 12.658,1079 3.384,1080 8.14,1081 9.675,1082 4.93,1083 15.021,1084 7.91,1085 11.71,1086 1.366,1087 14.403,1088 3.217,1089 8.788,1090 10.573,1091 5.292,1092 17.064,1093 8.561,1094 13.092,1095 1.313,1096 16.174,1097 3.094,1098 10.099,1099 12.23,1100 6.391,1101 19.538,1102 9.842,1103 3.215,1104 1.255,1105 17.965,1106 2.93,1107 10.988,1108 13.356,1109 6.931,1110 21.773,1111 10.739,1112 2.762,1113 11.061,1114 19.774,1115 2.749,1116 12.186,1117 14.894,1118 7.902,1119 24.195,1120 11.918,1121 2.643,1122 8.529,1123 21.597,1124 4.198,1125 13.202,1126 16.147,1127 8.539,1128 26.52,1129 12.941,1130 2.522,1131 8.002,1132 23.432,1133 3.688,1134 14.358,1135 17.624,1136 9.436,1137 28.926,1138 14.085,1139 2.462,1140 6.965,1141 25.278,1142 3.676,1143 15.44,1144 18.947,1145 10.13,1146 31.291,1147 15.169,1148 2.272,1149 6.915,1150 27.134,1151 2.964,1152 16.585,1153 20.393,1154 10.981,1155 33.693,1156 16.305,1157 2.186,1158 6.849,1159 28.998,1160 2.895,1161 17.702,1162 21.758,1163 11.71,1164 36.078,1165 17.421,1166 47702,1167 74323,1168 33.572,1169 56.978,1170 70.729,1171 73.372,1172 71.767,1173 70.459,1174 70.398,1175 85.565,1176 14.043,1177 188.199,1178 67.02,1179 5.553,1180 5.692,1181 6.664,1182 5.302,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.169,1188 16.79,1189 1.443,1190 1.497,1191 1.465,1192 1.438,1193 1.437,1194 1.746,1195 0.287,1196 3.841,1197 1.368,1198 4.043,1199 4.057,1200 4.01,1201 3.942,1202 7.435,1203 3.955,1204 3.942,1205 3.971,1206 3.88,1207 3.856,1208 7.427,1209 3.857,1210 3.843,1211 3.904,1212 3.713,1213 3.68,1214 5.009,1215 3.673,1216 3.764,1217 3.799,1218 3.703,1219 3.663,1220 4.816,1221 3.668,1222 3.726,1223 3.789,1224 3.588,1225 3.539,1226 4.769,1227 3.542,1228 3.656,1229 3.719,1230 3.525,1231 3.484,1232 4.627,1233 3.483,1234 3.543,1235 3.606,1236 3.416,1237 3.337,1238 4.399,1239 3.339,1240 3.371,1241 3.431,1242 3.241,1243 3.154,1244 4.304,1245 3.165,1246 0.093,1247 0.075,1248 0.138,1249 0.086,1250 0.066,1251 4.553,1252 0.086,1253 3.692,1254 0.045,1255 6.774,1256 0.226,1257 4.198,1258 0.065,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.169,1264 1.963,1265 1.954,1266 2.046,1267 2.079,1268 1.4,1269 2.061,1270 1.91,1271 1.885,1272 2.036,1273 2.025,1274 1.254,1275 2.028,1276 1.808,1277 1.745,1278 2.023,1279 2.007,1280 1.246,1281 2.017,1282 1.737,1283 1.707,1284 1.937,1285 1.918,1286 1.136,1287 1.932,1288 1.701,1289 1.637,1290 1.894,1291 1.881,1292 1.103,1293 1.886,1294 1.635,1295 1.57,1296 1.828,1297 1.812,1298 1.086,1299 1.82,1300 1.509,1301 1.441,1302 1.783,1303 1.742,1304 0.897,1305 1.755,1306 1.329,1307 1.261,1308 1.632,1309 1.581,1310 0.825,1311 1.599,1312 4.595,1314 5.872,1316 7.339,1318 8.903,1320 10.526,1322 2.047,1328 14.123,1329 2.87,1330 22.685,1333 4.669,1340 53.91,1341 133.091,1342 303.497,1343 432.553,1344 506.076,1345 525.585,1346 529.585,1347 95.141,1348 8.802,1349 106.37,1350 106.37,1351 30,1352 12.77,1353 4.392,1354 3.585,1355 77.572,1356 359,1357 376,1358 0.098,1359 328.489,1360 587.26,1361 793.272,1362 134057,1364 31.271,1365 0.695,1366 0.582,1367 31.271,1368 26.171,1369 22.047,1370 0.45,1371 0.327,1372 15.766,1373 21.039,1374 15.471,1375 12.802,1376 22.047,1377 16.027,1378 18.974,1379 0.296,1380 0.181,1381 18.974,1382 11.571,1383 15.28,1384 0.191,1385 0.099,1386 15.28,1387 7.959,1388 12.776,1389 0.125,1390 0.054,1391 12.776,1392 5.53,1393 10.083,1394 0.08,1395 0.029,1396 10.083,1397 3.67,1398 0.167,1399 139.195,1400 0.173,1401 41.771,1402 0.237,1403 226,1404 685.681,1405 252.868,1406 638.703,1407 864.53,1408 602,1409 257,1410 621.937,1411 283.543,1412 620.553,1413 908.43,1414 583,1415 6.857}
{0 CHEMBL204895,1 1.537,2 7.947,3 2.251,4 5.067,5 68.203,6 7.314,7 0.286,8 3.708,9 3.805,10 3.262,11 3.168,12 4.762,13 3.175,14 4.302,15 4.45,16 3.684,17 3.584,18 5.418,19 3.575,20 4.511,21 4.691,22 3.677,23 3.696,24 5.508,25 3.659,26 4.55,27 4.753,28 3.47,29 3.592,30 5.58,31 3.527,32 4.317,33 4.522,34 3.297,35 3.359,36 5.402,37 3.301,38 4.095,39 4.297,40 3.065,41 3.182,42 5.091,43 3.107,44 3.986,45 4.207,46 3.02,47 3.064,48 5.09,49 2.981,50 3.958,51 4.193,52 2.769,53 2.902,54 5.102,55 2.813,56 0.061,57 0.49,58 7.826,59 3.548,60 6.127,61 4.391,62 0.503,63 0.788,64 16.258,65 5.968,66 37.426,67 7.673,68 0.347,69 0.929,70 20.435,71 7.325,72 29.484,73 9.546,74 0.544,75 0.88,76 22.725,77 7.162,78 46.664,79 9.407,80 0.475,81 0.708,82 17.889,83 5.499,84 43.38,85 7.429,86 0.384,87 0.58,88 14.118,89 4.532,90 27.859,91 6.145,92 0.297,93 0.536,94 12.467,95 4.083,96 27.995,97 5.885,98 0.442,99 0.487,100 12.926,101 3.318,102 46.28,103 4.848,104 14,105 31,106 0.285,107 0.641,108 0.813,109 0.869,110 0.879,111 0.879,112 3.011,113 0.931,114 -2.84,115 -2.85,116 -2.76,121 38.9,122 2,123 1,125 1,127 2,130 1,144 3,145 1,146 2,161 1,176 5,179 2,180 7,183 2,185 1,187 6,192 8,200 5,206 7,211 2,214 3,218 1,219 5,224 2,227 2,231 1,232 1,237 1,239 2,243 1,244 2,247 1,249 2,251 2,255 1,259 1,264 1,269 1,277 2,281 378,282 12.781,283 12.781,284 12.781,285 12.781,286 12.781,287 11.941,288 19.261,289 7.445,290 13.106,291 10.327,292 10.327,293 10.327,294 10.327,295 10.327,296 8.946,297 22.485,298 3.433,299 10.792,300 3.633,301 1.712,302 0.785,303 0.486,304 0.431,305 0.431,306 3.685,311 1,312 1,313 327,314 3.317,317 66.109,318 37.64,320 53.105,321 57.002,324 79.697,325 1.224,326 21.437,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 42.5,338 151,339 4.755,340 3.956,341 7.887,342 4.642,343 3.649,344 4.153,345 2.186,346 14.705,347 3.621,348 3.957,349 3.662,350 5.984,351 3.604,352 2.657,353 3.281,354 1.392,355 8.24,356 2.514,357 3.633,358 2.774,359 5.411,360 3.285,361 2.334,362 2.842,363 0.532,364 7.033,365 2.193,366 3.302,367 2.546,368 5.249,369 2.937,370 1.983,371 2.506,372 0.366,373 5.916,374 1.874,375 2.965,376 2.411,377 4.773,378 2.795,379 1.825,380 2.041,382 5.27,383 1.764,384 2.421,385 1.571,386 4.117,387 2.117,388 1.143,389 1.402,391 2.971,392 1.112,393 2.145,394 1.511,395 3.647,396 2.018,397 1.06,398 1.138,400 2.506,401 1.004,402 2.118,403 1.156,404 3.195,405 1.979,406 1.019,407 1.075,409 1.715,410 0.969,411 1.48,412 0.891,413 3.075,414 1.211,415 0.277,416 0.312,418 0.696,419 0.256,420 0.953,421 0.481,422 2.838,423 0.699,424 -0.233,425 -0.253,427 -0.546,428 -0.215,429 0.665,430 -0.006,431 2.49,432 0.428,433 -0.575,434 -0.631,436 -1.003,437 -0.559,438 0.607,439 -0.326,440 2.331,441 0.266,442 -0.725,443 -0.853,445 -1.884,446 -0.716,447 0.472,448 -0.563,449 2.15,450 0.153,451 -0.829,452 -1.077,454 -2.597,455 -0.815,456 0.09,457 -0.696,458 1.924,459 -0.097,460 -1.081,461 -1.322,463 -3.036,464 -1.058,465 -0.393,466 -0.956,467 1.711,468 -0.564,469 -1.528,470 -1.63,472 -3.684,473 -1.454,474 8.733,475 0.46,476 0.541,477 0.028,478 21.25,479 1.118,480 8.5,481 0.447,482 12.75,483 0.671,484 15.727,485 0.828,486 21.867,487 0.607,488 13.883,489 0.731,490 4.012,491 0.211,492 5.119,493 0.269,494 0.153,495 0.057,496 0.286,501 0.823,502 1.384,503 0.77,504 1.274,505 0.656,506 1.045,507 0.803,508 0.917,509 0.79,510 0.921,511 0.524,512 0.863,513 1.081,514 1.104,515 0.968,516 1.122,517 0.8,518 1.031,519 1.406,520 0.99,521 1.164,522 0.987,523 1.147,524 1.02,525 1.205,526 1.018,527 1.083,528 0.996,529 1.574,530 1.008,531 1.09,532 1.057,533 1.112,534 1.031,535 1.098,536 1.072,537 0.607,538 1.268,539 0.868,540 1.181,541 0.959,542 1.107,543 1.165,544 0.833,545 1.224,546 0.842,547 2.2,548 0.995,549 5,550 0.02,551 2.889,552 2.049,553 0.796,554 0.497,555 0.36,556 0.24,557 0.139,558 0.049,559 3084,560 8363,561 2.069,562 47.2,563 3,564 7,565 1,567 1,569 5,572 1.603,573 1.916,574 2.955,575 -0.249,577 1,578 1,579 1,582 55.327,583 1.537,584 3.458,585 4.385,586 4.684,587 4.739,588 4.739,589 2.465,590 4.143,591 4.216,592 3.088,593 528.039,594 7.184,595 5043.03,596 1,597 1,599 1,600 186.117,601 1.638,602 4.16,603 0.238,604 0.01,605 0.093,606 0.068,607 0.035,608 0.026,609 0.024,610 0.017,611 0.014,612 0.008,613 0.534,614 0.83,615 1,616 1.538,617 81.34,618 -0.049,619 -0.152,620 0.069,621 -0.114,622 -0.066,623 -0.009,624 0.226,625 0.182,626 0.148,627 0.127,628 0.207,629 0.119,630 -0.117,631 -0.075,632 -0.027,633 -0.097,634 -0.037,635 -0.044,636 -0.24,637 -0.059,638 -0.162,639 -0.024,640 -0.109,641 -0.069,642 -0.082,643 -0.061,644 -0.085,645 -0.046,646 -0.163,647 -0.062,648 -0.047,649 -0.084,650 -0.136,651 -0.06,652 -0.135,653 -0.111,654 0.222,655 -0.28,656 0.082,657 -0.209,658 0.162,659 -0.123,660 -0.027,661 0.151,662 -0.196,663 0.017,664 -0.189,665 -0.101,666 2.106,667 4.431,668 0.632,669 12.72,670 1.013,671 1.129,672 1.613,673 2.601,674 0.637,675 3.091,676 3.466,677 3.784,678 4.094,679 4.263,680 4.369,681 4.543,682 4.585,683 4.522,684 4.466,685 4.72,686 0.614,687 263.32,688 3.091,689 4.654,690 5.533,691 6.454,692 7.362,693 8.293,694 9.216,695 10.152,696 11.083,697 12.023,698 2.8,705 1,715 3,720 3,722 6,737 1,739 1,741 36,743 7,744 1,745 21,747 38,748 14,749 6,750 3,751 3,756 3,757 6,763 2,764 1,766 1,767 1,770 1,772 7,773 7,777 1,782 1,786 1,789 1,790 1,793 17,794 5,795 1,796 5,802 1,808 0.333,809 4,815 1,828 2,829 1,831 1,832 1,835 1,858 1,859 1,864 2,868 19,876 3,877 1,878 3,880 1,882 1,893 11.1,896 1,897 1,898 2,901 9.917,902 7,903 4.153,904 2.326,907 1.32,908 1.195,909 0.935,910 3.149,911 8.078,912 3.258,913 3.795,914 4.294,915 4.831,916 5.298,917 5.528,918 5.887,919 6.103,920 6.071,921 6.062,922 1,923 30,924 7.05,926 3.045,927 0.026,929 7.803,931 13.458,933 11.269,936 2.303,937 43.75,938 0.001,941 188.338,942 76.106,943 18.011,945 58.145,948 76.106,949 246.482,950 18.011,951 17.65,952 27.243,953 28.788,954 36.145,955 35.672,956 18.534,957 176.567,959 188.338,960 94.117,961 58.145,964 129.482,965 106,966 11,967 0.36,968 44.894,969 48.864,972 188.338,973 76.155,974 76.106,977 188.697,978 29.668,979 46.079,980 18.011,981 58.145,982 188.338,983 76.155,984 76.106,986 0.586,987 0.35,988 0.192,989 0.094,990 17,991 7,992 0.079,993 3,994 2,995 1.333,996 3.102,997 144.945,998 0.333,999 12,1000 80.711,1005 12.758,1006 4.689,1007 2.088,1009 76.155,1010 5.439,1015 2.398,1017 18.011,1018 340.599,1019 25,1024 11.431,1028 -0.439,1031 36.48,1032 40.658,1034 0.297,1035 0.669,1036 0.848,1037 0.906,1038 0.917,1039 0.917,1040 4.549,1041 1.019,1042 5.58,1043 2.506,1044 4.143,1045 4.477,1046 2.637,1047 6.521,1048 4.068,1049 5.757,1050 0.277,1051 7.228,1052 1.715,1053 4.007,1054 4.425,1055 1.784,1056 7.968,1057 3.947,1058 7.1,1059 -0.233,1060 9.003,1061 0.696,1062 5.905,1063 6.582,1064 3.7,1065 11.105,1066 5.792,1067 8.483,1068 -0.575,1069 10.862,1070 -0.546,1071 6.635,1072 7.316,1073 3.59,1074 13.432,1075 6.552,1076 9.907,1077 -0.725,1078 12.779,1079 -1.003,1080 8.086,1081 9.033,1082 5.007,1083 16.226,1084 7.975,1085 11.359,1086 -0.829,1087 14.736,1088 -1.884,1089 9.171,1090 10.112,1091 5.289,1092 18.817,1093 9.081,1094 12.832,1095 -1.081,1096 16.724,1097 -2.597,1098 10.496,1099 11.665,1100 6.433,1101 21.532,1102 10.393,1103 3.649,1104 -1.528,1105 18.733,1106 -3.036,1107 11.714,1108 12.91,1109 6.93,1110 24.194,1111 11.619,1112 2.657,1113 14.705,1114 20.758,1115 -3.684,1116 13.009,1117 14.394,1118 7.922,1119 26.89,1120 12.907,1121 2.334,1122 8.24,1123 22.794,1124 4.153,1125 14.275,1126 15.723,1127 8.539,1128 29.571,1129 14.173,1130 1.983,1131 7.033,1132 24.838,1133 3.281,1134 15.565,1135 17.175,1136 9.444,1137 32.261,1138 15.457,1139 1.825,1140 5.916,1141 26.888,1142 2.842,1143 16.848,1144 18.548,1145 10.13,1146 34.947,1147 16.736,1148 1.143,1149 5.27,1150 28.942,1151 2.506,1152 18.139,1153 19.985,1154 10.985,1155 37.636,1156 18.02,1157 1.06,1158 2.971,1159 30.999,1160 2.041,1161 19.428,1162 21.381,1163 11.71,1164 40.323,1165 19.304,1166 3085,1167 5158,1168 13.811,1169 22.915,1170 32.121,1171 33.307,1172 33.529,1173 31.858,1174 31.896,1175 37.501,1176 8.951,1177 98.107,1178 30.611,1179 5.717,1180 5.956,1181 7.658,1182 5.713,1183 5.649,1184 7.153,1185 3.889,1186 22.9,1187 5.621,1188 9.012,1189 1.53,1190 1.586,1191 1.597,1192 1.517,1193 1.519,1194 1.786,1195 0.426,1196 4.672,1197 1.458,1198 4.052,1199 4.064,1200 4.003,1201 3.953,1202 7.435,1203 3.962,1204 3.687,1205 3.724,1206 3.606,1207 3.522,1208 4.961,1209 3.529,1210 3.576,1211 3.641,1212 3.451,1213 3.36,1214 4.625,1215 3.367,1216 3.211,1217 3.24,1218 3.072,1219 2.936,1220 4.294,1221 2.968,1222 3.103,1223 3.19,1224 2.882,1225 2.881,1226 4.145,1227 2.876,1228 2.947,1229 2.983,1230 2.829,1231 2.69,1232 3.898,1233 2.717,1234 2.779,1235 2.856,1236 2.578,1237 2.623,1238 3.787,1239 2.602,1240 2.577,1241 2.646,1242 2.415,1243 2.339,1244 3.508,1245 2.35,1246 0.226,1247 0.188,1248 0.376,1249 0.221,1250 0.174,1251 4.755,1252 0.198,1253 3.956,1254 0.104,1255 7.887,1256 0.7,1257 4.642,1258 0.172,1259 3.649,1260 4.153,1261 2.186,1262 14.705,1263 3.621,1264 1.896,1265 1.88,1266 1.999,1267 1.986,1268 1.31,1269 1.987,1270 1.59,1271 1.546,1272 1.844,1273 1.82,1274 0.991,1275 1.826,1276 1.541,1277 1.464,1278 1.789,1279 1.734,1280 0.967,1281 1.754,1282 1.306,1283 1.265,1284 1.589,1285 1.609,1286 0.787,1287 1.592,1288 1.06,1289 1.042,1290 1.264,1291 1.403,1292 0.386,1293 1.36,1294 0.883,1295 0.806,1296 1.233,1297 1.197,1298 0.223,1299 1.22,1300 0.767,1301 0.712,1302 1.063,1303 0.967,1304 0.147,1305 1.003,1306 0.685,1307 0.625,1308 0.931,1309 0.929,1310 0.055,1311 0.935,1312 3.761,1314 5.118,1315 3.045,1316 6.676,1317 5.533,1318 8.337,1319 7.735,1320 10.06,1322 3.964,1328 2.151,1329 2.6,1330 16.57,1332 -0.22,1334 -0.143,1340 22.095,1341 55.327,1342 124.502,1343 157.853,1344 168.608,1345 170.608,1346 170.608,1347 28.406,1348 6.758,1349 56.79,1350 56.79,1351 16,1352 12.52,1353 3,1354 2.322,1355 27.863,1356 54,1357 63,1358 0.269,1359 133.953,1360 238.38,1361 318.605,1362 6452,1364 13.458,1365 0.708,1366 0.582,1367 13.458,1368 11.064,1369 9.131,1370 0.435,1371 0.31,1372 6.39,1373 8.623,1374 6.221,1375 5.133,1376 9.131,1377 6.517,1378 8.506,1379 0.274,1380 0.163,1381 8.506,1382 5.066,1383 7.254,1384 0.169,1385 0.087,1386 7.254,1387 3.743,1388 6.308,1389 0.107,1390 0.045,1391 6.308,1392 2.63,1393 4.663,1394 0.067,1395 0.023,1396 4.663,1397 1.626,1398 0.408,1399 58.36,1400 0.269,1401 18.719,1402 0.776,1403 104,1404 339.275,1405 120.445,1406 308.046,1407 420.23,1408 290,1409 126,1410 310.508,1411 141.618,1412 305.058,1413 458.46,1414 287,1415 7}
{0 CHEMBL205231,1 1.558,2 7.316,3 2.081,4 4.33,5 71.421,6 7.09,7 0.286,8 3.727,9 3.841,10 3.259,11 3.183,12 4.768,13 3.18,14 4.321,15 4.499,16 3.686,17 3.621,18 5.374,19 3.604,20 4.524,21 4.693,22 3.744,23 3.804,24 5.516,25 3.753,26 4.685,27 4.907,28 3.564,29 3.8,30 5.634,31 3.702,32 4.537,33 4.77,34 3.342,35 3.631,36 5.467,37 3.491,38 4.443,39 4.741,40 3.043,41 3.311,42 5.262,43 3.157,44 3.957,45 4.196,46 2.94,47 2.95,48 4.986,49 2.885,50 3.833,51 4.046,52 2.777,53 2.775,54 5.118,55 2.729,56 0.034,57 0.532,58 8.363,59 3.396,60 6.021,61 4.575,62 0.45,63 0.856,64 17.001,65 5.649,66 33.514,67 7.878,68 0.214,69 1.033,70 20.27,71 7.612,72 24.179,73 10.297,74 0.468,75 1.093,76 25.544,77 8.094,78 44.561,79 11.429,80 0.265,81 0.928,82 21.556,83 7.682,84 31.174,85 10.966,86 0.46,87 0.722,88 21.445,89 6.171,90 38.958,91 9.353,92 0.256,93 0.494,94 12.553,95 3.607,96 21.073,97 5.27,98 0.382,99 0.435,100 11.277,101 2.486,102 42.708,103 3.827,104 20,105 32,106 0.287,107 0.637,108 0.816,109 0.869,110 0.869,111 0.869,112 3.012,113 0.921,114 -2.84,115 -2.85,116 -2.76,121 37.8,122 1,123 1,125 1,126 2,127 1,130 1,144 3,145 1,146 2,161 1,176 5,179 2,180 7,183 2,187 6,192 8,200 5,206 5,211 2,214 3,218 1,219 5,224 2,227 2,231 1,232 1,237 1,243 1,244 2,247 1,249 2,255 1,259 1,281 380,282 12.626,283 12.626,284 12.626,285 12.626,286 12.626,287 11.81,288 19.712,289 7.078,290 13.037,291 10.25,292 10.25,293 10.25,294 10.25,295 10.25,296 8.861,297 24.439,298 3.23,299 10.851,300 3.652,301 1.752,302 0.784,303 0.494,304 0.494,305 0.494,306 3.681,310 1,311 1,312 1,313 299,314 3.24,317 63.564,318 36.442,320 51.233,321 55.53,324 77.068,325 1.141,326 17.441,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 42,338 139,339 4.809,340 3.969,341 7.956,342 4.681,343 3.705,344 4.198,345 2.186,346 15.054,347 3.62,348 3.956,349 3.657,350 6.18,351 3.61,352 2.659,353 3.289,354 1.138,355 8.773,356 2.53,357 3.661,358 2.756,359 5.942,360 3.392,361 2.455,362 2.858,363 0.643,364 7.804,365 2.28,366 3.426,367 2.723,368 5.414,369 3.125,370 2.182,371 2.585,372 0.366,373 6.815,374 2.04,375 3.112,376 2.381,377 4.74,378 2.793,379 1.848,380 2.213,382 5.132,383 1.73,384 2.52,385 1.616,386 4.198,387 2.167,388 1.217,389 1.526,391 3.026,392 1.153,393 2.201,394 1.15,395 3.704,396 2.013,397 1.061,398 1.19,400 2.637,401 0.999,402 1.696,403 1.108,404 3.649,405 1.556,406 0.638,407 0.664,409 1.642,410 0.581,411 1.501,412 0.968,413 3.029,414 1.294,415 0.377,416 0.401,418 0.571,419 0.341,420 1.198,421 0.641,422 2.907,423 0.804,424 -0.164,425 -0.205,427 -0.367,428 -0.156,429 0.698,430 -0.158,431 2.445,432 0.348,433 -0.602,434 -0.63,436 -1.55,437 -0.562,438 0.552,439 -0.321,440 2.288,441 0.261,442 -0.712,443 -0.844,445 -1.943,446 -0.69,447 0.344,448 -0.642,449 2.201,450 0.082,451 -0.909,452 -1.233,454 -2.686,455 -0.894,456 -0.167,457 -0.869,458 1.922,459 -0.377,460 -1.339,461 -1.414,463 -3.081,464 -1.258,465 -0.318,466 -0.991,467 1.785,468 -0.459,469 -1.414,470 -1.659,472 -4.041,473 -1.363,474 8.8,475 0.463,476 0.613,477 0.032,478 21.5,479 1.132,480 8.5,481 0.447,482 13,483 0.684,484 16.063,485 0.845,486 21.8,487 0.589,488 14.579,489 0.767,490 4.189,491 0.22,492 4.87,493 0.256,494 0.208,495 0.057,496 0.33,501 0.822,502 1.536,503 0.802,504 1.294,505 0.636,506 1.074,507 0.839,508 0.777,509 0.781,510 0.733,511 0.502,512 0.731,513 1.029,514 1.304,515 1.004,516 1.251,517 0.726,518 1.148,519 1.277,520 0.951,521 1.203,522 0.995,523 1.027,524 1.068,525 0.758,526 1.256,527 1.089,528 1.368,529 0.859,530 1.315,531 0.896,532 0.772,533 0.802,534 0.765,535 0.814,536 0.773,537 1.115,538 1.051,539 0.91,540 0.987,541 1.292,542 0.93,543 1.58,544 1.032,545 1.368,546 0.941,547 2.918,548 1.067,549 5,551 3.333,552 2.674,553 0.961,554 0.615,555 0.375,556 0.287,557 0.118,558 0.025,559 2876,560 7641,561 2.038,562 48.6,563 3,564 11,565 1,567 1,569 2,572 1.606,573 1.854,574 2.834,575 -0.249,577 1,578 1,579 1,582 57.633,583 1.558,584 3.458,585 4.425,586 4.716,587 4.716,588 4.716,589 2.234,590 4.037,591 4.216,592 2.968,593 507.444,594 7.2,595 4788.16,596 1,597 1,599 1,600 192.75,601 1.747,602 4.142,603 0.238,605 0.104,606 0.081,607 0.037,608 0.032,609 0.027,610 0.022,611 0.012,612 0.008,613 0.562,614 0.83,615 1,616 1.368,617 80.314,618 -0.04,619 -0.264,620 0.074,621 -0.136,622 -0.059,623 -0.025,624 0.195,625 0.369,626 0.18,627 0.294,628 0.192,629 0.246,630 -0.104,631 -0.212,632 -0.082,633 -0.162,634 0.002,635 -0.126,636 -0.234,637 0.047,638 -0.23,639 -0.015,640 -0.112,641 -0.103,642 0.022,643 -0.293,644 -0.162,645 -0.345,646 -0.046,647 -0.301,648 0.083,649 0.022,650 0.21,651 0.138,652 0.007,653 0.19,654 0.041,655 -0.123,656 0.106,657 -0.066,658 0.003,659 0.006,660 -0.047,661 -0.017,662 -0.296,663 -0.111,664 -0.165,665 -0.228,666 2.115,667 4.285,668 0.632,669 12.316,670 1.007,671 1.134,672 1.613,673 2.601,674 0.634,675 3.091,676 3.497,677 3.85,678 4.174,679 4.369,680 4.466,681 4.635,682 4.673,683 4.575,684 4.454,685 4.433,686 0.605,687 262.34,688 3.091,689 4.673,690 5.572,691 6.509,692 7.435,693 8.382,694 9.321,695 10.273,696 11.219,697 12.174,698 5.4,704 1,705 1,715 3,720 3,722 6,736 1,737 1,741 37,743 7,744 1,745 21,747 39,748 14,749 6,750 3,751 3,756 3,757 6,763 1,764 1,766 1,767 1,770 1,772 7,773 7,777 1,782 1,786 1,789 1,790 1,793 18,794 5,795 1,796 5,802 2,808 0.333,809 3,815 1,828 2,829 1,831 1,832 1,835 1,858 1,859 1,864 3,868 19,876 2,877 1,878 2,880 1,881 1,882 1,893 8.1,896 1,897 1,898 1,901 10.25,902 7.533,903 4.125,904 2.171,907 1.326,908 1.196,909 0.936,910 2.947,911 8.108,912 3.258,913 3.818,914 4.347,915 4.886,916 5.372,917 5.617,918 5.971,919 6.183,920 6.154,921 6.056,922 0.8,923 33,924 7.033,926 3.021,927 0.026,929 7.75,931 13.521,933 11.405,936 2.25,937 42.75,938 0.001,941 200.109,942 79.122,943 21.135,945 47.145,948 79.122,949 247.253,950 21.135,951 25.618,952 25.138,953 28.429,954 36.145,955 25.31,956 18.534,957 188.338,959 200.109,960 100.257,961 47.145,964 176.567,965 59.687,966 11,968 33.963,969 66.294,972 200.109,973 68.28,974 79.122,977 200.109,978 25.075,979 57.171,980 18.011,981 47.145,982 200.109,983 68.28,984 79.122,986 0.598,987 0.371,988 0.197,989 0.102,990 18,991 8,992 0.051,993 2,994 2,995 1.333,996 3.01,997 149.261,998 0.333,999 12,1000 80.711,1005 12.758,1006 4.389,1007 1.817,1009 68.28,1010 5.755,1015 2.913,1017 18.011,1018 347.51,1019 25,1024 11.285,1028 -0.448,1031 37.254,1032 41.946,1034 0.299,1035 0.664,1036 0.849,1037 0.905,1038 0.905,1039 0.905,1040 4.57,1041 0.638,1042 5.638,1043 2.637,1044 4.174,1045 4.5,1046 2.539,1047 6.613,1048 4.074,1049 5.794,1050 0.377,1051 7.313,1052 1.642,1053 4.111,1054 4.494,1055 1.847,1056 8.084,1057 4.009,1058 7.149,1059 -0.164,1060 9.108,1061 0.571,1062 5.974,1063 6.623,1064 3.585,1065 11.245,1066 5.812,1067 8.545,1068 -0.602,1069 10.98,1070 -0.367,1071 6.746,1072 7.388,1073 3.604,1074 13.571,1075 6.591,1076 9.978,1077 -0.712,1078 12.905,1079 -1.55,1080 8.183,1081 9.089,1082 4.933,1083 16.389,1084 7.992,1085 11.438,1086 -0.909,1087 14.866,1088 -1.943,1089 9.293,1090 10.193,1091 5.293,1092 18.99,1093 9.1,1094 12.92,1095 -1.339,1096 16.856,1097 -2.686,1098 10.62,1099 11.741,1100 6.395,1101 21.728,1102 10.402,1103 3.705,1104 -1.414,1105 18.865,1106 -3.081,1107 11.856,1108 13.007,1109 6.931,1110 24.408,1111 11.627,1112 2.659,1113 15.054,1114 20.891,1115 -4.041,1116 13.16,1117 14.493,1118 7.904,1119 27.127,1120 12.91,1121 2.455,1122 8.773,1123 22.928,1124 4.198,1125 14.442,1126 15.84,1127 8.54,1128 29.829,1129 14.174,1130 2.182,1131 7.804,1132 24.974,1133 3.289,1134 15.745,1135 17.298,1136 9.436,1137 32.543,1138 15.456,1139 1.848,1140 6.815,1141 27.027,1142 2.858,1143 17.043,1144 18.687,1145 10.13,1146 35.252,1147 16.734,1148 1.217,1149 5.132,1150 29.085,1151 2.585,1152 18.349,1153 20.132,1154 10.982,1155 37.964,1156 18.018,1157 1.061,1158 3.026,1159 31.147,1160 2.213,1161 19.654,1162 21.543,1163 11.71,1164 40.675,1165 19.301,1166 2912,1167 4812,1168 13.523,1169 23.466,1170 32.349,1171 33.826,1172 34.804,1173 32.202,1174 32.282,1175 37.848,1176 8.666,1177 102.908,1178 30.549,1179 5.773,1180 5.969,1181 7.507,1182 5.771,1183 5.705,1184 7.198,1185 3.889,1186 23.395,1187 5.62,1188 10.207,1189 1.54,1190 1.611,1191 1.657,1192 1.533,1193 1.537,1194 1.802,1195 0.413,1196 4.9,1197 1.455,1198 4.075,1199 4.102,1200 4.025,1201 3.98,1202 7.435,1203 3.986,1204 3.678,1205 3.705,1206 3.601,1207 3.523,1208 4.863,1209 3.529,1210 3.505,1211 3.57,1212 3.404,1213 3.207,1214 4.6,1215 3.249,1216 3.291,1217 3.387,1218 3.117,1219 3.059,1220 4.265,1221 3.06,1222 3.112,1223 3.201,1224 2.892,1225 2.902,1226 4.071,1227 2.884,1228 2.969,1229 3.014,1230 2.77,1231 2.698,1232 3.895,1233 2.703,1234 2.775,1235 2.849,1236 2.586,1237 2.611,1238 3.807,1239 2.599,1240 2.702,1241 2.793,1242 2.464,1243 2.472,1244 3.495,1245 2.464,1246 0.229,1247 0.189,1248 0.379,1249 0.223,1250 0.176,1251 4.809,1252 0.2,1253 3.969,1254 0.104,1255 7.956,1256 0.717,1257 4.681,1258 0.172,1259 3.705,1260 4.198,1261 2.186,1262 15.054,1263 3.62,1264 1.903,1265 1.884,1266 2.004,1267 1.993,1268 1.31,1269 1.994,1270 1.624,1271 1.572,1272 1.83,1273 1.8,1274 1.031,1275 1.813,1276 1.419,1277 1.357,1278 1.693,1279 1.748,1280 0.858,1281 1.726,1282 1.367,1283 1.298,1284 1.654,1285 1.64,1286 0.682,1287 1.646,1288 1.17,1289 1.083,1290 1.537,1291 1.441,1292 0.63,1293 1.475,1294 0.878,1295 0.833,1296 1.21,1297 1.209,1298 0.365,1299 1.177,1300 0.817,1301 0.734,1302 1.087,1303 1.109,1304 0.149,1305 1.149,1306 0.726,1307 0.645,1308 1.014,1309 0.949,1310 0.083,1311 0.986,1312 3.761,1314 5.142,1315 3.045,1316 6.727,1317 5.587,1318 8.413,1319 7.84,1320 10.161,1322 5.793,1328 1.754,1329 2.45,1330 11.031,1332 0.081,1333 2.159,1334 -0.022,1340 22.402,1341 57.633,1342 127.937,1343 163.73,1344 174.485,1345 174.485,1346 174.485,1347 27.118,1348 6.782,1349 50.8,1350 50.8,1351 16,1352 12.662,1353 3,1354 2.322,1355 27.752,1356 50,1357 58,1358 0.291,1359 136.751,1360 240.59,1361 325.432,1362 6395,1364 13.621,1365 0.717,1366 0.6,1367 13.621,1368 11.396,1369 9.059,1370 0.431,1371 0.307,1372 6.312,1373 8.562,1374 6.07,1375 5.038,1376 9.059,1377 6.446,1378 8.562,1379 0.268,1380 0.166,1381 8.562,1382 5.32,1383 7.68,1384 0.167,1385 0.091,1386 7.68,1387 4.172,1388 6.459,1389 0.101,1390 0.049,1391 6.459,1392 3.125,1393 4.995,1394 0.064,1395 0.026,1396 4.995,1397 2.047,1398 0.432,1399 57.834,1400 0.272,1401 18.445,1402 0.867,1403 106,1404 317.185,1405 120.209,1406 293.747,1407 402.63,1408 276,1409 131,1410 298.68,1411 145.131,1412 298.792,1413 446.3,1414 279,1415 7.569}
{0 CHEMBL205321,1 1.446,2 11.154,3 4.414,4 19.485,5 97.535,6 7.213,7 0.414,8 3.997,9 4.097,10 3.544,11 3.528,12 5.047,13 3.512,14 4.574,15 4.721,16 3.966,17 3.952,18 5.656,19 3.919,20 4.838,21 5.01,22 3.984,23 4.118,24 5.822,25 4.047,26 4.922,27 5.159,28 3.824,29 4.036,30 5.877,31 3.925,32 4.777,33 5.01,34 3.673,35 3.805,36 5.811,37 3.715,38 4.486,39 4.714,40 3.443,41 3.515,42 5.5,43 3.453,44 4.208,45 4.393,46 3.482,47 3.458,48 5.382,49 3.424,50 4.37,51 4.561,52 3.446,53 3.491,54 5.609,55 3.447,56 0.02,57 0.652,58 10.518,59 4.954,60 7.831,61 6.16,62 0.446,63 1.079,64 20.848,65 8.512,66 39.626,67 10.888,68 0.259,69 1.384,70 27.582,71 10.995,72 32.513,73 14.156,74 0.325,75 1.435,76 32.064,77 11.756,78 48.403,79 16.029,80 0.471,81 1.191,82 28.529,83 9.558,84 56.311,85 12.837,86 0.477,87 0.885,88 21.69,89 6.691,90 43.163,91 8.876,92 0.277,93 0.759,94 14.891,95 5.12,96 29.605,97 6.947,98 0.468,99 0.82,100 18.605,101 5.782,102 60.265,103 7.453,104 18,105 43,106 0.246,107 0.584,108 0.746,109 0.829,110 0.836,111 0.836,112 3.304,113 0.925,114 -4.53,115 -4.46,116 -4.2,121 42.9,122 3,123 1,124 1,125 1,127 1,130 1,144 7,145 2,146 3,161 1,176 12,179 2,180 7,183 2,185 2,187 15,192 7,197 2,200 13,206 10,211 3,214 7,218 1,219 9,224 3,227 2,231 1,232 3,237 3,239 4,243 1,244 4,247 1,249 2,251 8,255 1,256 4,259 1,264 8,269 2,277 10,281 952,282 17.212,283 17.212,284 17.212,285 17.212,286 17.212,287 15.673,288 25.538,289 9.825,290 17.469,291 14.315,292 14.315,293 14.315,294 14.315,295 14.315,296 11.887,297 30.317,298 4.689,299 14.753,300 4.169,301 2.177,302 1.228,303 0.74,304 0.699,305 0.699,306 3.998,311 1,312 1,313 642,314 3.742,317 58.77,318 215.342,319 78.687,322 109.193,323 121.661,325 1.781,326 24.64,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 56.5,338 290,339 4.664,340 3.815,341 7.576,342 4.528,343 3.537,344 4.105,345 2.186,346 13.68,347 3.502,348 4.125,349 3.672,350 5.932,351 3.791,352 2.803,353 3.691,354 1.392,355 8.26,356 2.777,357 3.937,358 2.992,359 5.862,360 3.607,361 2.655,362 3.236,363 0.532,364 8.145,365 2.513,366 3.723,367 2.903,368 5.523,369 3.422,370 2.454,371 2.981,372 0.366,373 7.417,374 2.368,375 3.5,376 2.764,377 5.368,378 3.268,379 2.299,380 2.736,382 6.946,383 2.227,384 3.311,385 2.477,386 5.242,387 3.108,388 2.146,389 2.439,391 6.515,392 2.042,393 3.174,394 2.385,395 4.617,396 2.778,397 1.794,398 2.263,400 4.902,401 1.745,402 2.557,403 1.348,404 4.168,405 2.224,406 1.23,407 1.579,409 3.149,410 1.221,411 2.5,412 1.314,413 3.769,414 2.137,415 1.139,416 1.5,418 2.909,419 1.136,420 2.451,421 1.173,422 3.72,423 2,424 1,425 1.441,427 2.275,428 1,429 1.753,430 1,431 3.414,432 1.637,433 0.741,434 0.747,436 1.862,437 0.655,438 1.482,439 0.905,440 3.093,441 1.196,442 0.279,443 0.318,445 0.758,446 0.253,447 1.251,448 0.528,449 3.051,450 0.919,451 -0.046,452 -0.054,454 -0.119,455 -0.044,456 0.877,457 0.257,458 2.862,459 0.596,460 -0.38,461 -0.445,463 -1.066,464 -0.366,465 0.69,466 -0.22,467 2.415,468 0.391,469 -0.591,470 -0.671,472 -1.808,473 -0.577,474 12.233,475 0.471,476 0.832,477 0.032,478 31.75,479 1.221,480 15,481 0.577,482 16.75,483 0.644,484 22.887,485 0.88,486 28.567,487 0.583,488 22.568,489 0.868,490 5.843,491 0.225,492 6.584,493 0.253,494 0.15,495 0.041,496 0.327,501 0.801,502 1.223,503 0.79,504 1.142,505 0.685,506 0.988,507 0.762,508 0.955,509 0.788,510 0.932,511 0.508,512 0.88,513 1.099,514 1.206,515 1.099,516 1.19,517 0.831,518 1.152,519 0.938,520 1.082,521 0.963,522 1.068,523 0.773,524 1.028,525 1.221,526 1.03,527 1.014,528 0.996,529 1.437,530 0.971,531 1.515,532 0.862,533 1.028,534 0.755,535 1.633,536 0.793,537 0.889,538 1.081,539 0.899,540 0.975,541 1.303,542 0.924,543 1.584,544 0.863,545 1.212,546 0.859,547 2.804,548 0.935,549 7.5,550 0.094,551 3.333,552 2.319,553 1.557,554 0.736,555 0.562,556 0.271,557 0.321,558 0.188,559 8756,560 20251,561 2.092,562 46.9,563 10,564 9,565 1,567 1,570 2,572 1.685,573 1.938,574 3.416,575 -0.37,577 1,582 70.84,583 1.446,584 3.438,585 4.387,586 4.875,587 4.915,588 4.915,589 2.888,590 4.133,591 4.674,592 3.627,593 1178.83,594 8.065,595 14952.8,597 1,599 1,600 275.121,601 1.619,602 4.616,603 0.259,604 0.005,605 0.078,606 0.055,607 0.046,608 0.026,609 0.024,610 0.011,611 0.014,612 0.009,613 0.527,614 0.33,615 1,616 0.777,617 128.496,618 -0.023,619 -0.073,620 0.068,621 -0.05,622 -0.078,623 0.015,624 0.271,625 0.11,626 0.149,627 0.103,628 0.234,629 0.1,630 -0.118,631 -0.173,632 -0.158,633 -0.174,634 -0.07,635 -0.173,636 -0.036,637 -0.122,638 0.015,639 -0.095,640 0.053,641 -0.04,642 -0.019,643 -0.088,644 0.017,645 -0.055,646 -0.04,647 -0.019,648 -0.096,649 0.095,650 0.038,651 0.16,652 -0.154,653 0.128,654 0.158,655 0.034,656 0.073,657 -0.024,658 0.118,659 0.009,660 -0.091,661 0.18,662 -0.163,663 0.057,664 -0.222,665 -0.041,666 2.176,667 5.219,668 0.692,669 22.586,670 1.003,671 1.12,672 3.302,673 10.901,674 0.657,675 3.401,676 3.784,677 4.043,678 4.331,679 4.564,680 4.663,681 4.771,682 4.779,683 4.883,684 4.956,685 6.697,686 0.626,687 353.45,688 3.401,689 4.977,690 5.838,691 6.744,692 7.624,693 8.534,694 9.424,695 10.337,696 11.234,697 12.15,698 2,705 1,715 7,720 5,722 12,737 1,739 1,741 49,743 13,744 2,745 29,747 52,748 21,749 12,750 5,751 7,756 4,757 7,763 3,764 1,766 1,767 1,770 1,772 13,773 8,774 1,777 1,782 1,786 1,790 1,793 23,794 5,795 1,796 5,802 1,808 0.5,809 4,815 1,828 1,829 3,830 1,833 1,834 1,858 1,859 2,864 3,868 26,876 2,877 1,878 3,880 2,882 1,893 8.2,896 1,897 1,898 2,901 13.417,902 9.667,903 5.472,904 3.028,907 2.2,908 1.289,909 0.959,910 4.412,911 9.817,912 3.611,913 4.19,914 4.687,915 5.224,916 5.729,917 5.89,918 6.188,919 6.352,920 6.531,921 6.768,922 1,923 42,924 9.653,926 4.186,927 0.026,929 7.689,931 18.592,933 15.747,936 2.189,937 56.917,939 1,940 1,941 258.964,942 126.673,943 18.011,945 58.145,948 126.673,949 317.109,950 18.011,951 26.476,952 25.138,953 66.693,954 36.145,955 41.615,956 18.534,957 247.193,959 258.964,960 144.684,961 58.145,964 235.422,965 70.687,966 11,967 0.36,968 51.613,969 92.711,972 258.964,973 76.155,974 126.673,977 259.324,978 33.504,979 92.809,980 18.011,981 58.145,982 258.964,983 76.155,984 126.673,986 0.6,987 0.342,988 0.179,989 0.097,990 23,991 10,992 0.077,993 4,994 3,995 1.278,996 3.827,997 221.934,998 0.333,999 17,1000 116.211,1005 17.379,1006 6.6,1007 3.472,1009 76.155,1010 13.245,1015 4.259,1017 18.011,1018 461.793,1019 36,1024 12.219,1028 -0.51,1031 49.131,1032 54.903,1034 0.257,1035 0.612,1036 0.781,1037 0.868,1038 0.875,1039 0.875,1040 4.898,1041 1.23,1042 5.878,1043 4.902,1044 4.466,1045 4.875,1046 2.637,1047 6.753,1048 4.409,1049 6.115,1050 1.139,1051 7.484,1052 3.149,1053 4.29,1054 4.758,1055 1.784,1056 7.997,1057 4.237,1058 7.442,1059 1,1060 9.2,1061 2.909,1062 6.172,1063 6.993,1064 3.7,1065 11.06,1066 6.074,1067 8.799,1068 0.741,1069 10.987,1070 2.275,1071 6.781,1072 7.604,1073 3.59,1074 13.187,1075 6.693,1076 10.187,1077 0.279,1078 12.824,1079 1.862,1080 8.211,1081 9.393,1082 5.007,1083 15.899,1084 8.095,1085 11.598,1086 -0.046,1087 14.7,1088 0.758,1089 9.174,1090 10.348,1091 5.289,1092 18.357,1093 9.067,1094 13.026,1095 -0.38,1096 16.608,1097 -0.119,1098 10.459,1099 11.947,1100 6.433,1101 20.994,1102 10.337,1103 3.537,1104 -0.591,1105 18.54,1106 -1.066,1107 11.585,1108 13.09,1109 6.93,1110 23.561,1111 11.465,1112 2.803,1113 13.68,1114 20.492,1115 -1.808,1116 12.832,1117 14.593,1118 7.922,1119 26.181,1120 12.703,1121 2.655,1122 8.26,1123 22.461,1124 4.105,1125 14.03,1126 15.843,1127 8.539,1128 28.782,1129 13.899,1130 2.454,1131 8.145,1132 24.442,1133 3.691,1134 15.274,1135 17.296,1136 9.444,1137 31.399,1138 15.135,1139 2.299,1140 7.417,1141 26.434,1142 3.236,1143 16.505,1144 18.609,1145 10.13,1146 34.01,1147 16.36,1148 2.146,1149 6.946,1150 28.433,1151 2.981,1152 17.753,1153 20.036,1154 10.985,1155 36.626,1156 17.601,1157 1.794,1158 6.515,1159 30.438,1160 2.736,1161 18.999,1162 21.386,1163 11.71,1164 39.24,1165 18.84,1166 8246,1167 12717,1168 19.186,1169 32.199,1170 44.58,1171 45.837,1172 45.566,1173 44.053,1174 44.155,1175 54.072,1176 8.951,1177 133.637,1178 42.877,1179 5.611,1180 5.815,1181 6.99,1182 5.62,1183 5.537,1184 7.105,1185 3.889,1186 21.662,1187 5.502,1188 13.25,1189 1.537,1190 1.581,1191 1.571,1192 1.519,1193 1.523,1194 1.865,1195 0.309,1196 4.608,1197 1.479,1198 4.049,1199 4.064,1200 3.996,1201 3.951,1202 7.435,1203 3.958,1204 3.945,1205 3.976,1206 3.879,1207 3.878,1208 4.952,1209 3.873,1210 3.664,1211 3.69,1212 3.585,1213 3.519,1214 4.753,1215 3.524,1216 3.534,1217 3.598,1218 3.407,1219 3.387,1220 4.619,1221 3.377,1222 3.303,1223 3.325,1224 3.21,1225 3.008,1226 4.243,1227 3.067,1228 3.139,1229 3.204,1230 2.982,1231 2.909,1232 4.15,1233 2.915,1234 2.874,1235 3.009,1236 2.716,1237 2.735,1238 3.971,1239 2.715,1240 2.86,1241 2.929,1242 2.687,1243 2.671,1244 3.801,1245 2.664,1246 0.161,1247 0.132,1248 0.261,1249 0.156,1250 0.122,1251 4.664,1252 0.142,1253 3.815,1254 0.075,1255 7.576,1256 0.472,1257 4.528,1258 0.121,1259 3.537,1260 4.105,1261 2.186,1262 13.68,1263 3.502,1264 1.95,1265 1.932,1266 2.07,1267 2.052,1268 1.352,1269 2.053,1270 1.934,1271 1.906,1272 2.047,1273 2.022,1274 1.252,1275 2.034,1276 1.558,1277 1.511,1278 1.799,1279 1.753,1280 0.924,1281 1.764,1282 1.529,1283 1.468,1284 1.752,1285 1.685,1286 0.907,1287 1.711,1288 1.295,1289 1.267,1290 1.541,1291 1.606,1292 0.772,1293 1.576,1294 1.131,1295 1.109,1296 1.417,1297 1.452,1298 0.469,1299 1.405,1300 0.934,1301 0.821,1302 1.327,1303 1.239,1304 0.455,1305 1.308,1306 0.886,1307 0.804,1308 1.267,1309 1.188,1310 0.228,1311 1.243,1312 4.078,1314 5.442,1315 2.398,1316 6.995,1317 4.844,1318 8.637,1319 7.034,1320 10.333,1322 6.414,1328 1.431,1329 2.762,1330 16.909,1332 0.283,1334 -0.096,1340 30.675,1341 70.84,1342 168.46,1343 214.94,1344 238.856,1345 240.856,1346 240.856,1347 41.833,1348 7.617,1349 56.79,1350 56.79,1351 23,1352 12.665,1353 3.807,1354 3,1355 38.366,1356 106,1357 102,1358 0.177,1359 184.924,1360 328.3,1361 442.973,1362 21761,1364 18.311,1365 0.704,1366 0.586,1367 18.311,1368 15.243,1369 12.426,1370 0.428,1371 0.308,1372 8.821,1373 11.932,1374 8.507,1375 7.074,1376 12.426,1377 8.945,1378 12.146,1379 0.282,1380 0.176,1381 12.146,1382 7.572,1383 9.818,1384 0.175,1385 0.091,1386 9.818,1387 5.099,1388 8.359,1389 0.111,1390 0.047,1391 8.359,1392 3.516,1393 6.693,1394 0.07,1395 0.024,1396 6.693,1397 2.301,1398 0.284,1399 78.086,1400 0.228,1401 25.335,1402 0.471,1403 144,1404 413.275,1405 160.778,1406 387.188,1407 533.43,1408 364,1409 171,1410 399.072,1411 186.453,1412 399.585,1413 591.26,1414 375,1415 5.465}
{0 CHEMBL205335,1 1.484,2 9.76,3 4.144,4 17.169,5 96.24,6 7.201,7 0.429,8 3.957,9 4.068,10 3.507,11 3.485,12 5.009,13 3.469,14 4.529,15 4.692,16 3.929,17 3.914,18 5.581,19 3.883,20 4.762,21 4.931,22 3.99,23 4.083,24 5.749,25 4.022,26 4.921,27 5.15,28 3.851,29 4.065,30 5.871,31 3.963,32 4.83,33 5.067,34 3.695,35 3.881,36 5.847,37 3.77,38 4.672,39 4.939,40 3.448,41 3.586,42 5.651,43 3.498,44 4.177,45 4.352,46 3.418,47 3.45,48 5.293,49 3.407,50 4.269,51 4.453,52 3.378,53 3.514,54 5.467,55 3.44,56 0.011,57 0.661,58 10.115,59 4.499,60 7.381,61 5.813,62 0.398,63 1.094,64 19.952,65 7.582,66 34.153,67 10.132,68 0.165,69 1.361,70 25.021,71 9.838,72 26.249,73 13.023,74 0.348,75 1.504,76 31.614,77 10.816,78 42.451,79 14.974,80 0.299,81 1.274,82 29.427,83 10.458,84 50,85 14.238,86 0.604,87 0.988,88 27.381,89 8.218,90 63.12,91 11.047,92 0.241,93 0.722,94 14.513,95 5.267,96 24.054,97 6.797,98 0.355,99 0.806,100 15.985,101 5.437,102 45.916,103 7.309,104 17,105 42,106 0.254,107 0.6,108 0.799,109 0.871,110 0.886,111 0.886,112 3.267,113 0.913,114 -4.31,115 -4.24,116 -4.01,121 42.6,122 2,123 1,125 1,126 1,127 1,130 1,144 7,145 2,146 3,161 1,176 10,179 2,180 7,183 2,185 2,187 11,192 8,197 3,200 9,206 9,211 3,214 4,218 1,219 11,224 2,227 2,231 1,232 3,237 1,239 4,243 1,244 2,247 1,249 2,251 10,255 1,259 1,264 10,269 2,277 9,281 831,282 16.687,283 16.687,284 16.687,285 16.687,286 16.687,287 15.067,288 23.468,289 9.523,290 17.069,291 13.783,292 13.783,293 13.783,294 13.783,295 13.783,296 11.322,297 31.149,298 4.474,299 14.398,300 4.07,301 2.055,302 0.892,303 0.474,304 0.389,305 0.389,306 3.96,311 1,312 1,313 540,314 3.391,317 96.332,318 133.336,320 77.564,321 81.769,324 114.395,325 1.488,326 20.74,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 54,338 244,339 4.809,340 3.969,341 7.956,342 4.681,343 3.705,344 4.198,345 2.186,346 15.054,347 3.62,348 4.189,349 3.679,350 6.181,351 3.813,352 2.841,353 3.788,354 1.138,355 8.787,356 2.765,357 3.941,358 2.91,359 6.055,360 3.592,361 2.632,362 3.284,363 0.643,364 8.694,365 2.525,366 3.644,367 2.75,368 5.941,369 3.373,370 2.436,371 2.849,372 0.366,373 7.787,374 2.264,375 3.416,376 2.719,377 5.406,378 3.1,379 2.153,380 2.586,382 6.797,383 2.022,384 3.115,385 2.38,386 4.785,387 2.795,388 1.845,389 2.219,391 5.279,392 1.734,393 2.874,394 1.67,395 4.202,396 2.414,397 1.414,398 2.037,400 3.565,401 1.414,402 2.804,403 1.616,404 4.081,405 2.367,406 1.38,407 1.912,409 3.026,410 1.356,411 2.519,412 1.472,413 3.703,414 2.164,415 1.213,416 1.525,418 2.959,419 1.151,420 2.201,421 1.15,422 3.649,423 2.013,424 1.061,425 1.189,427 2.634,428 0.999,429 1.691,430 0.985,431 3.595,432 1.547,433 0.626,434 0.654,436 1.636,437 0.572,438 1.412,439 0.739,440 3.031,441 1.123,442 0.173,443 0.203,445 0.423,446 0.163,447 1.201,448 0.479,449 2.97,450 0.828,451 -0.131,452 -0.162,454 -0.32,455 -0.124,456 0.787,457 -0.039,458 2.512,459 0.41,460 -0.572,461 -0.627,463 -1.384,464 -0.545,465 0.696,466 -0.246,467 2.385,468 0.346,469 -0.616,470 -0.71,472 -1.555,473 -0.588,474 11.8,475 0.472,476 0.771,477 0.031,478 31.5,479 1.26,480 15,481 0.6,482 16.5,483 0.66,484 21.454,485 0.858,486 27.2,487 0.579,488 22.481,489 0.899,490 6.081,491 0.243,492 5.906,493 0.236,494 0.155,495 0.042,496 0.331,501 0.805,502 1.327,503 0.793,504 1.14,505 0.652,506 0.987,507 0.795,508 0.909,509 0.785,510 0.83,511 0.502,512 0.807,513 1.068,514 1.326,515 1.054,516 1.222,517 0.773,518 1.152,519 1.17,520 1.039,521 1.138,522 1.061,523 0.823,524 1.075,525 1.121,526 1.125,527 1.034,528 1.188,529 1.308,530 1.116,531 1.738,532 0.587,533 0.931,534 0.554,535 1.905,536 0.614,537 1.37,538 0.983,539 1.009,540 0.937,541 1.62,542 0.93,543 1.242,544 1.034,545 1.263,546 1.027,547 2.332,548 1.119,549 6,550 0.163,551 4,552 3.174,553 1.383,554 0.733,555 0.516,556 0.291,557 0.237,558 0.242,559 7345,560 17157,561 2.095,562 46.8,563 6,564 12,565 1,567 1,569 2,572 1.678,573 1.935,574 3.234,575 -0.356,577 1,582 69.765,583 1.484,584 3.499,585 4.663,586 5.081,587 5.166,588 5.166,589 2.628,590 4.404,591 4.62,592 3.426,593 1027.9,594 7.974,595 12383,597 1,599 1,600 261.066,601 1.643,602 4.557,603 0.214,604 0.008,605 0.095,606 0.074,607 0.04,608 0.026,609 0.022,610 0.012,611 0.011,612 0.013,613 0.515,614 0.5,615 1,616 0.609,617 120.136,618 -0.021,619 -0.155,620 0.072,621 -0.068,622 -0.066,623 0.004,624 0.243,625 0.195,626 0.158,627 0.178,628 0.2,629 0.155,630 -0.098,631 -0.265,632 -0.123,633 -0.205,634 -0.03,635 -0.177,636 -0.145,637 -0.025,638 -0.153,639 -0.109,640 -0.004,641 -0.121,642 0.007,643 -0.206,644 -0.027,645 -0.22,646 0.009,647 -0.143,648 -0.108,649 0.251,650 0.181,651 0.361,652 -0.153,653 0.323,654 -0.05,655 0.048,656 -0.018,657 0.05,658 -0.087,659 0.015,660 -0.012,661 0.046,662 -0.282,663 -0.069,664 -0.181,665 -0.193,666 2.148,667 5.238,668 0.72,669 19.469,670 1,671 1.123,672 3.079,673 9.478,674 0.659,675 3.367,676 3.761,677 4.094,678 4.407,679 4.595,680 4.644,681 4.804,682 4.868,683 4.883,684 4.956,685 6,686 0.627,687 338.44,688 3.367,689 4.949,690 5.838,691 6.76,692 7.671,693 8.601,694 9.523,695 10.458,696 11.389,697 12.328,698 4.3,704 1,705 1,715 7,720 5,722 12,736 1,737 1,741 47,743 13,744 2,745 28,747 50,748 20,749 12,750 5,751 7,756 4,757 7,763 2,764 1,766 1,767 1,770 1,772 13,773 7,777 1,782 1,786 1,790 1,793 22,794 5,795 1,796 5,802 2,808 0.5,809 3,815 1,828 2,829 2,831 1,832 1,835 1,858 1,859 2,864 3,868 25,876 2,877 1,878 2,880 1,881 1,882 1,893 6.4,896 1,897 1,898 1,901 12.917,902 9.367,903 5.319,904 2.796,907 2.193,908 1.291,909 0.972,910 3.971,911 9.73,912 3.584,913 4.174,914 4.71,915 5.254,916 5.733,917 5.86,918 6.18,919 6.433,920 6.543,921 6.745,922 1,923 43,924 9.271,926 4.018,927 0.026,929 7.663,931 17.899,933 15.191,936 2.163,937 54.083,940 1,941 247.193,942 123.398,943 21.135,945 47.145,948 123.398,949 294.338,950 21.135,951 26.047,952 25.138,953 66.334,954 36.145,955 31.252,956 18.534,957 235.422,959 247.193,960 144.533,961 47.145,964 223.651,965 59.687,966 11,968 42.788,969 101.745,972 247.193,973 68.28,974 123.398,977 247.193,978 31.017,979 95.505,980 18.011,981 47.145,982 247.193,983 68.28,984 123.398,986 0.599,987 0.365,988 0.201,989 0.103,990 23,991 10,992 0.06,993 3,994 2,995 1.222,996 3.666,997 216.826,998 0.222,999 18,1000 112.096,1005 16.431,1006 6.042,1007 2.697,1009 68.28,1010 13.421,1015 4.614,1017 18.011,1018 438.871,1019 35,1024 12.238,1028 -0.482,1031 47.022,1032 52.777,1034 0.267,1035 0.63,1036 0.839,1037 0.915,1038 0.93,1039 0.93,1040 4.875,1041 1.38,1042 5.883,1043 3.565,1044 4.443,1045 4.86,1046 2.539,1047 6.819,1048 4.362,1049 6.099,1050 1.213,1051 7.529,1052 3.026,1053 4.29,1054 4.758,1055 1.847,1056 8.189,1057 4.197,1058 7.44,1059 1.061,1060 9.295,1061 2.959,1062 6.192,1063 7.003,1064 3.585,1065 11.345,1066 6.051,1067 8.818,1068 0.626,1069 11.139,1070 2.634,1071 6.889,1072 7.671,1073 3.604,1074 13.619,1075 6.742,1076 10.234,1077 0.173,1078 13.037,1079 1.636,1080 8.339,1081 9.456,1082 4.933,1083 16.427,1084 8.16,1085 11.675,1086 -0.131,1087 14.975,1088 0.423,1089 9.398,1090 10.48,1091 5.293,1092 19.009,1093 9.21,1094 13.139,1095 -0.572,1096 16.944,1097 -0.32,1098 10.72,1099 12.075,1100 6.395,1101 21.741,1102 10.508,1103 3.705,1104 -0.616,1105 18.936,1106 -1.384,1107 11.927,1108 13.28,1109 6.931,1110 24.415,1111 11.701,1112 2.841,1113 15.054,1114 20.947,1115 -1.555,1116 13.222,1117 14.786,1118 7.904,1119 27.131,1120 12.974,1121 2.632,1122 8.787,1123 22.972,1124 4.198,1125 14.487,1126 16.087,1127 8.54,1128 29.832,1129 14.221,1130 2.436,1131 8.694,1132 25.008,1133 3.788,1134 15.782,1135 17.548,1136 9.436,1137 32.544,1138 15.494,1139 2.153,1140 7.787,1141 27.054,1142 3.284,1143 17.071,1144 18.902,1145 10.13,1146 35.252,1147 16.762,1148 1.845,1149 6.797,1150 29.106,1151 2.849,1152 18.371,1153 20.343,1154 10.982,1155 37.964,1156 18.04,1157 1.414,1158 5.279,1159 31.163,1160 2.586,1161 19.671,1162 21.727,1163 11.71,1164 40.675,1165 19.318,1166 6937,1167 10719,1168 18.493,1169 30.989,1170 43.231,1171 44.492,1172 45.164,1173 42.907,1174 42.956,1175 52.889,1176 8.666,1177 133.279,1178 41.167,1179 5.773,1180 5.969,1181 7.644,1182 5.775,1183 5.705,1184 7.198,1185 3.889,1186 23.395,1187 5.62,1188 12.369,1189 1.544,1190 1.589,1191 1.613,1192 1.532,1193 1.534,1194 1.889,1195 0.31,1196 4.76,1197 1.47,1198 4.078,1199 4.106,1200 4.028,1201 3.983,1202 7.435,1203 3.989,1204 3.926,1205 3.958,1206 3.863,1207 3.855,1208 4.869,1209 3.851,1210 3.663,1211 3.688,1212 3.582,1213 3.521,1214 4.751,1215 3.526,1216 3.388,1217 3.431,1218 3.323,1219 3.11,1220 4.595,1221 3.151,1222 3.262,1223 3.337,1224 3.101,1225 3.033,1226 4.198,1227 3.032,1228 3.169,1229 3.256,1230 2.963,1231 2.991,1232 3.939,1233 2.99,1234 3.108,1235 3.198,1236 2.888,1237 2.901,1238 3.897,1239 2.883,1240 2.84,1241 2.895,1242 2.708,1243 2.684,1244 3.869,1245 2.679,1246 0.172,1247 0.142,1248 0.284,1249 0.167,1250 0.132,1251 4.809,1252 0.15,1253 3.969,1254 0.078,1255 7.956,1256 0.538,1257 4.681,1258 0.129,1259 3.705,1260 4.198,1261 2.186,1262 15.054,1263 3.62,1264 1.919,1265 1.894,1266 2.036,1267 2.022,1268 1.31,1269 2.025,1270 1.897,1271 1.873,1272 2.002,1273 1.978,1274 1.135,1275 1.986,1276 1.623,1277 1.571,1278 1.829,1279 1.799,1280 1.031,1281 1.811,1282 1.392,1283 1.335,1284 1.659,1285 1.668,1286 0.858,1287 1.662,1288 1.218,1289 1.18,1290 1.553,1291 1.531,1292 0.631,1293 1.499,1294 1.202,1295 1.125,1296 1.538,1297 1.418,1298 0.604,1299 1.469,1300 1.134,1301 1.054,1302 1.312,1303 1.416,1304 0.365,1305 1.428,1306 0.842,1307 0.776,1308 1.209,1309 1.11,1310 0.27,1311 1.153,1312 4.043,1314 5.416,1315 3.045,1316 6.987,1317 5.587,1318 8.655,1319 7.84,1320 10.378,1322 6.206,1328 1.72,1329 2.795,1330 11.412,1332 0.054,1333 2.166,1334 -0.06,1340 29.455,1341 69.765,1342 164.46,1343 219.15,1344 238.801,1345 242.801,1346 242.801,1347 37.594,1348 7.537,1349 50.8,1350 50.8,1351 22,1352 12.826,1353 3.807,1354 3,1355 36.085,1356 91,1357 83,1358 0.196,1359 178.129,1360 313.21,1361 426.395,1362 19056,1364 17.604,1365 0.704,1366 0.588,1367 17.604,1368 14.705,1369 11.987,1370 0.428,1371 0.304,1372 8.398,1373 11.512,1374 8.092,1375 6.717,1376 11.987,1377 8.523,1378 11.411,1379 0.272,1380 0.167,1381 11.411,1382 7.01,1383 9.977,1384 0.169,1385 0.091,1386 9.977,1387 5.35,1388 8.648,1389 0.107,1390 0.048,1391 8.648,1392 3.923,1393 6.716,1394 0.069,1395 0.026,1396 6.716,1397 2.526,1398 0.307,1399 75.254,1400 0.233,1401 24.135,1402 0.54,1403 140,1404 385.185,1405 154.875,1406 365.779,1407 507.77,1408 344,1409 171,1410 382.525,1411 185.963,1412 386.307,1413 573.59,1414 362,1415 6.848}
{0 CHEMBL205340,1 1.487,2 8.524,3 2.699,4 7.286,5 83.144,6 6.578,7 0.261,8 3.873,9 4.009,10 3.342,11 3.331,12 4.854,13 3.303,14 4.476,15 4.689,16 3.764,17 3.775,18 5.435,19 3.729,20 4.715,21 4.918,22 3.846,23 3.992,24 5.597,25 3.911,26 4.908,27 5.164,28 3.753,29 4.036,30 5.782,31 3.913,32 4.825,33 5.071,34 3.498,35 3.904,36 5.729,37 3.737,38 4.728,39 5.049,40 3.243,41 3.626,42 5.454,43 3.439,44 4.266,45 4.513,46 3.144,47 3.306,48 5.223,49 3.193,50 4.164,51 4.412,52 2.969,53 3.127,54 5.232,55 3.036,56 0.025,57 0.648,58 10.659,59 3.893,60 7.249,61 5.787,62 0.409,63 1.056,64 20.553,65 6.393,66 32.356,67 9.873,68 0.19,69 1.308,70 25.604,71 8.801,72 23.259,73 13.187,74 0.357,75 1.412,76 31.734,77 9.961,78 41.581,79 15.313,80 0.326,81 1.221,82 29.093,83 9.959,84 45.145,85 14.658,86 0.372,87 0.954,88 26.86,89 8.378,90 37.448,91 12.817,92 0.239,93 0.683,94 16.822,95 5.234,96 24.333,97 7.798,98 0.351,99 0.597,100 15.705,101 3.873,102 36.839,103 6.054,104 30,105 35,106 0.263,107 0.58,108 0.783,109 0.867,110 0.867,111 0.867,112 3.105,113 0.979,114 -3.35,115 -3.33,116 -3.19,121 36.4,122 2,123 1,125 1,126 2,127 2,130 1,144 3,145 1,146 2,161 1,176 5,179 2,180 7,183 2,185 1,187 6,192 8,200 5,206 7,211 2,214 3,218 1,219 5,224 2,227 2,231 1,232 1,237 1,239 2,243 1,244 2,247 1,249 2,251 2,255 1,259 1,264 1,269 1,277 2,281 515,282 13.833,283 13.833,284 13.833,285 13.833,286 13.833,287 13.017,288 23.216,289 7.883,290 14.239,291 11.265,292 11.265,293 11.265,294 11.265,295 11.265,296 9.898,297 31.489,298 3.616,299 11.865,300 3.973,301 2.187,302 1.04,303 0.569,304 0.569,305 0.569,306 3.774,310 1,311 1,312 1,313 381,314 3.464,317 73.136,318 42.446,320 59.124,321 64.089,324 89.193,325 1.306,326 16.034,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 45.5,338 179,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 3.983,349 3.662,350 6.211,351 3.64,352 2.689,353 3.318,354 0.966,355 8.828,356 2.559,357 3.681,358 2.821,359 6.169,360 3.4,361 2.46,362 2.885,363 0.693,364 8.458,365 2.295,366 3.475,367 2.742,368 5.45,369 3.303,370 2.37,371 2.601,372 0.366,373 7.184,374 2.198,375 3.304,376 2.506,377 4.859,378 2.974,379 2.017,380 2.423,382 5.444,383 1.916,384 2.617,385 1.747,386 4.692,387 2.425,388 1.483,389 1.631,391 4.373,392 1.392,393 2.519,394 1.511,395 4.214,396 2.129,397 1.135,398 1.524,400 3.06,401 1.127,402 2.121,403 1.171,404 3.723,405 1.979,406 1.019,407 1.076,409 1.879,410 0.969,411 1.783,412 0.927,413 3.138,414 1.691,415 0.724,416 0.756,418 1.625,419 0.697,420 1.232,421 0.7,422 3.085,423 0.892,424 -0.041,425 -0.047,427 -0.099,428 -0.038,429 0.762,430 0.044,431 2.654,432 0.642,433 -0.298,434 -0.305,436 -0.731,437 -0.279,438 0.709,439 -0.023,440 2.457,441 0.437,442 -0.548,443 -0.607,445 -0.905,446 -0.527,447 0.614,448 -0.316,449 2.427,450 0.305,451 -0.702,452 -0.892,454 -1.878,455 -0.707,456 0.49,457 -0.651,458 2.155,459 0.082,460 -0.909,461 -1,463 -2.701,464 -0.9,466 -0.796,467 2.116,468 -0.049,469 -1,470 -1.252,472 -2.804,473 -0.946,474 9.867,475 0.47,476 0.703,477 0.033,478 22.75,479 1.083,480 8.5,481 0.405,482 14.25,483 0.679,484 19.929,485 0.949,486 24.333,487 0.553,488 15.797,489 0.752,490 4.274,491 0.204,492 5.695,493 0.271,494 0.236,495 0.051,496 0.334,501 0.823,502 1.66,503 0.89,504 1.335,505 0.63,506 1.146,507 0.738,508 0.857,509 0.807,510 0.758,511 0.388,512 0.766,513 0.991,514 1.317,515 1.034,516 1.2,517 0.717,518 1.132,519 1.101,520 0.965,521 1.089,522 1.002,523 0.828,524 1.026,525 1.064,526 1.221,527 1.216,528 1.329,529 1.289,530 1.313,531 0.898,532 0.715,533 0.74,534 0.747,535 0.752,536 0.736,537 1.174,538 1.149,539 0.996,540 1.143,541 1.211,542 1.075,543 1.967,544 0.863,545 1.28,546 0.843,547 2.781,548 0.952,549 5.5,550 0.037,551 3.556,552 3.271,553 1.246,554 0.646,555 0.471,556 0.313,557 0.213,558 0.089,559 3800,560 8497,561 2.006,562 52.3,563 3,564 13,565 1,567 1,569 5,572 1.634,573 1.813,574 3.009,575 -0.291,576 1,577 1,579 1,582 65.418,583 1.487,584 3.273,585 4.419,586 4.891,587 4.891,588 4.891,589 2.498,590 4.107,591 4.357,592 3.152,593 661.874,594 7.482,595 6719.26,597 1,599 1,600 240.215,601 1.761,602 4.278,603 0.239,604 0.009,605 0.102,606 0.088,607 0.039,608 0.029,609 0.026,610 0.02,611 0.016,612 0.01,613 0.579,614 0.83,615 1,616 1.539,617 92.934,618 -0.009,619 -0.33,620 0.078,621 -0.139,622 -0.047,623 -0.036,624 0.262,625 0.335,626 0.197,627 0.269,628 0.25,629 0.236,630 -0.09,631 -0.174,632 -0.065,633 -0.111,634 -0.026,635 -0.089,636 -0.145,637 0.067,638 -0.111,639 -0.015,640 0.011,641 -0.045,642 -0.06,643 -0.251,644 -0.25,645 -0.302,646 -0.143,647 -0.309,648 0.073,649 0.073,650 0.228,651 0.167,652 0.014,653 0.212,654 0.079,655 -0.204,656 0.011,657 -0.166,658 0.014,659 -0.107,660 -0.2,661 0.095,662 -0.192,663 0.025,664 -0.271,665 -0.075,666 2.061,667 4.585,668 0.571,669 15.456,670 0.995,671 1.138,672 2.118,673 4.487,674 0.626,675 3.178,676 3.584,677 3.932,678 4.29,679 4.477,680 4.585,681 4.771,682 4.828,683 4.771,684 4.71,685 4.915,686 0.585,687 289.42,688 3.178,689 4.762,690 5.659,691 6.603,692 7.529,693 8.484,694 9.425,695 10.385,696 11.335,697 12.298,698 6.8,701 1,704 1,705 1,715 3,720 3,722 6,736 1,737 1,741 44,743 7,744 1,745 23,747 46,748 16,749 6,750 3,751 3,756 3,757 6,763 2,764 1,766 1,767 1,770 1,772 7,773 9,777 1,782 1,786 1,789 1,790 1,793 23,794 5,795 1,796 5,802 3,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 4,868 21,876 3,877 1,878 1,880 1,881 2,882 1,893 4.5,896 1,898 1,901 11.583,902 9.067,903 4.569,904 2.774,907 1.315,908 1.188,909 0.932,910 3.619,911 8.308,912 3.332,913 3.882,914 4.398,915 4.951,916 5.421,917 5.684,918 6.051,919 6.29,920 6.328,921 6.299,922 0.833,923 37,924 7.79,926 3.301,927 0.026,929 7.631,931 15.217,933 12.842,936 2.131,937 44.75,938 0.001,941 258.964,942 87.566,943 24.259,945 36.145,948 87.566,949 295.109,950 24.259,951 34.443,952 24.757,953 28.429,954 25.145,955 28.434,956 18.534,957 247.193,959 258.964,960 111.825,961 36.145,964 200.109,965 95,968 45.531,969 66.294,972 258.964,973 60.404,974 87.566,977 258.964,978 24.694,979 69.121,980 18.011,981 36.145,982 258.964,983 60.404,984 87.566,986 0.595,987 0.363,988 0.207,989 0.104,990 19,991 9,992 0.065,993 3,994 2,995 1.333,996 3.169,997 170.624,998 0.333,999 12,1000 92.239,1005 14.668,1006 5.181,1007 2.211,1009 60.404,1010 5.955,1015 3.128,1017 18.011,1018 406.935,1019 27,1024 11.585,1028 -0.394,1031 43.796,1032 50.066,1034 0.272,1035 0.599,1036 0.809,1037 0.896,1038 0.896,1039 0.896,1040 4.649,1041 1.019,1042 5.727,1043 3.06,1044 4.263,1045 4.564,1046 2.466,1047 6.706,1048 4.171,1049 5.87,1050 0.724,1051 7.401,1052 1.879,1053 4.205,1054 4.559,1055 1.905,1056 8.162,1057 4.094,1058 7.222,1059 -0.041,1060 9.195,1061 1.625,1062 6.057,1063 6.667,1064 3.531,1065 11.34,1066 5.901,1067 8.613,1068 -0.298,1069 11.065,1070 -0.099,1071 6.825,1072 7.43,1073 3.612,1074 13.666,1075 6.668,1076 10.042,1077 -0.548,1078 12.987,1079 -0.731,1080 8.262,1081 9.123,1082 4.913,1083 16.499,1084 8.076,1085 11.5,1086 -0.702,1087 14.948,1088 -0.905,1089 9.373,1090 10.226,1091 5.293,1092 19.111,1093 9.184,1094 12.981,1095 -0.909,1096 16.936,1097 -1.878,1098 10.702,1099 11.77,1100 6.388,1101 21.864,1102 10.493,1103 3.737,1104 -1,1105 18.947,1106 -2.701,1107 11.943,1108 13.037,1109 6.931,1110 24.56,1111 11.724,1112 2.689,1113 15.306,1114 20.974,1115 -2.804,1116 13.252,1117 14.52,1118 7.902,1119 27.294,1120 13.016,1121 2.46,1122 8.828,1123 23.013,1124 4.206,1125 14.541,1126 15.869,1127 8.539,1128 30.013,1129 14.288,1130 2.37,1131 8.458,1132 25.062,1133 3.318,1134 15.851,1135 17.326,1136 9.436,1137 32.743,1138 15.58,1139 2.017,1140 7.184,1141 27.119,1142 2.885,1143 17.157,1144 18.716,1145 10.13,1146 35.468,1147 16.867,1148 1.483,1149 5.444,1150 29.181,1151 2.601,1152 18.47,1153 20.162,1154 10.981,1155 38.197,1156 18.161,1157 1.135,1158 4.373,1159 31.247,1160 2.423,1161 19.783,1162 21.573,1163 11.71,1164 40.924,1165 19.454,1166 3857,1167 5856,1168 14.622,1169 27.54,1170 35.617,1171 36.564,1172 38.224,1173 35.293,1174 35.266,1175 40.842,1176 8.422,1177 112.313,1178 33.62,1179 5.797,1180 5.973,1181 7.778,1182 5.785,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 12.297,1189 1.549,1190 1.59,1191 1.662,1192 1.534,1193 1.533,1194 1.776,1195 0.366,1196 4.883,1197 1.462,1198 4.09,1199 4.128,1200 4.037,1201 3.994,1202 7.435,1203 3.999,1204 3.716,1205 3.759,1206 3.636,1207 3.565,1208 4.834,1209 3.57,1210 3.591,1211 3.665,1212 3.469,1213 3.362,1214 4.452,1215 3.372,1216 3.314,1217 3.399,1218 3.152,1219 3.079,1220 4.232,1221 3.086,1222 3.253,1223 3.345,1224 3.055,1225 3.042,1226 4.076,1227 3.031,1228 3.149,1229 3.195,1230 2.982,1231 2.855,1232 3.9,1233 2.891,1234 2.976,1235 3.093,1236 2.681,1237 2.761,1238 3.835,1239 2.725,1240 2.785,1241 2.858,1242 2.6,1243 2.644,1244 3.51,1245 2.623,1246 0.21,1247 0.173,1248 0.348,1249 0.205,1250 0.162,1251 4.832,1252 0.183,1253 3.973,1254 0.095,1255 8.006,1256 0.665,1257 4.714,1258 0.159,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.903,1265 1.884,1266 2.004,1267 1.996,1268 1.31,1269 1.996,1270 1.633,1271 1.578,1272 1.846,1273 1.837,1274 1.058,1275 1.837,1276 1.555,1277 1.477,1278 1.829,1279 1.82,1280 1.014,1281 1.826,1282 1.527,1283 1.444,1284 1.786,1285 1.745,1286 0.987,1287 1.768,1288 1.233,1289 1.151,1290 1.579,1291 1.509,1292 0.644,1293 1.532,1294 1.029,1295 0.987,1296 1.453,1297 1.368,1298 0.563,1299 1.354,1300 1.013,1301 0.899,1302 1.249,1303 1.291,1304 0.347,1305 1.341,1306 0.818,1307 0.743,1308 1.173,1309 1.046,1310 0.223,1311 1.097,1312 3.85,1314 5.231,1315 3.045,1316 6.815,1317 5.638,1318 8.502,1319 7.921,1320 10.253,1322 8.49,1328 2.777,1329 2.654,1330 5.353,1332 0.382,1333 4.725,1334 0.097,1340 25.762,1341 65.418,1342 143.995,1343 194.441,1344 215.195,1345 215.195,1346 215.195,1347 31.25,1348 6.993,1349 44.81,1350 44.81,1351 16,1352 12.782,1353 3,1354 2.322,1355 32.17,1356 61,1357 77,1358 0.274,1359 158.734,1360 277.4,1361 379.07,1362 8359,1364 15.198,1365 0.724,1366 0.626,1367 15.198,1368 13.142,1369 9.969,1370 0.433,1371 0.326,1372 7.377,1373 9.5,1374 7.057,1375 5.906,1376 9.969,1377 7.504,1378 9.486,1379 0.271,1380 0.178,1381 9.486,1382 6.231,1383 8.131,1384 0.163,1385 0.097,1386 8.131,1387 4.833,1388 7.415,1389 0.103,1390 0.054,1391 7.415,1392 3.906,1393 5.469,1394 0.063,1395 0.029,1396 5.469,1397 2.546,1398 0.413,1399 62.946,1400 0.262,1401 20.321,1402 0.798,1403 116,1404 303.094,1405 129.025,1406 288.091,1407 399.19,1408 270,1409 143,1410 302.529,1411 156.142,1412 305.637,1413 454.43,1414 285,1415 7.027}
{0 CHEMBL205895,1 1.484,2 9.76,3 4.144,4 17.169,5 96.24,6 7.201,7 0.429,8 3.957,9 4.068,10 3.507,11 3.485,12 5.009,13 3.469,14 4.529,15 4.692,16 3.929,17 3.914,18 5.581,19 3.883,20 4.762,21 4.931,22 3.99,23 4.083,24 5.749,25 4.022,26 4.921,27 5.15,28 3.851,29 4.065,30 5.871,31 3.963,32 4.83,33 5.067,34 3.695,35 3.881,36 5.847,37 3.77,38 4.672,39 4.939,40 3.448,41 3.586,42 5.651,43 3.498,44 4.177,45 4.352,46 3.418,47 3.45,48 5.293,49 3.407,50 4.269,51 4.453,52 3.378,53 3.514,54 5.467,55 3.44,56 0.011,57 0.661,58 10.115,59 4.499,60 7.381,61 5.813,62 0.398,63 1.094,64 19.952,65 7.582,66 34.153,67 10.132,68 0.165,69 1.361,70 25.021,71 9.838,72 26.249,73 13.023,74 0.348,75 1.504,76 31.614,77 10.816,78 42.451,79 14.974,80 0.299,81 1.274,82 29.427,83 10.458,84 50,85 14.238,86 0.604,87 0.988,88 27.381,89 8.218,90 63.12,91 11.047,92 0.241,93 0.722,94 14.513,95 5.267,96 24.054,97 6.797,98 0.355,99 0.806,100 15.985,101 5.437,102 45.916,103 7.309,104 17,105 42,106 0.254,107 0.6,108 0.799,109 0.871,110 0.886,111 0.886,112 3.267,113 0.913,114 -4.31,115 -4.24,116 -4.01,121 42.6,122 2,123 1,125 1,126 1,127 1,130 1,144 7,145 2,146 3,161 1,176 10,179 2,180 7,183 2,185 2,187 11,192 8,197 3,200 9,206 9,211 3,214 4,218 1,219 11,224 2,227 2,231 1,232 3,237 1,239 4,243 1,244 2,247 1,249 2,251 10,255 1,259 1,264 10,269 2,277 9,281 831,282 16.687,283 16.687,284 16.687,285 16.687,286 16.687,287 15.067,288 23.468,289 9.523,290 17.069,291 13.783,292 13.783,293 13.783,294 13.783,295 13.783,296 11.322,297 31.149,298 4.474,299 14.398,300 4.07,301 2.055,302 0.892,303 0.474,304 0.389,305 0.389,306 3.96,311 1,312 1,313 540,314 3.391,317 96.332,318 133.336,320 77.564,321 81.769,324 114.395,325 1.488,326 20.74,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 54,338 244,339 4.809,340 3.969,341 7.956,342 4.681,343 3.705,344 4.198,345 2.186,346 15.054,347 3.62,348 4.189,349 3.679,350 6.181,351 3.813,352 2.841,353 3.788,354 1.138,355 8.787,356 2.765,357 3.941,358 2.91,359 6.055,360 3.592,361 2.632,362 3.284,363 0.643,364 8.694,365 2.525,366 3.644,367 2.75,368 5.941,369 3.373,370 2.436,371 2.849,372 0.366,373 7.787,374 2.264,375 3.416,376 2.719,377 5.406,378 3.1,379 2.153,380 2.586,382 6.797,383 2.022,384 3.115,385 2.38,386 4.785,387 2.795,388 1.845,389 2.219,391 5.279,392 1.734,393 2.874,394 1.67,395 4.202,396 2.414,397 1.414,398 2.037,400 3.565,401 1.414,402 2.804,403 1.616,404 4.081,405 2.367,406 1.38,407 1.912,409 3.026,410 1.356,411 2.519,412 1.472,413 3.703,414 2.164,415 1.213,416 1.525,418 2.959,419 1.151,420 2.201,421 1.15,422 3.649,423 2.013,424 1.061,425 1.189,427 2.634,428 0.999,429 1.691,430 0.985,431 3.595,432 1.547,433 0.626,434 0.654,436 1.636,437 0.572,438 1.412,439 0.739,440 3.031,441 1.123,442 0.173,443 0.203,445 0.423,446 0.163,447 1.201,448 0.479,449 2.97,450 0.828,451 -0.131,452 -0.162,454 -0.32,455 -0.124,456 0.787,457 -0.039,458 2.512,459 0.41,460 -0.572,461 -0.627,463 -1.384,464 -0.545,465 0.696,466 -0.246,467 2.385,468 0.346,469 -0.616,470 -0.71,472 -1.555,473 -0.588,474 11.8,475 0.472,476 0.771,477 0.031,478 31.5,479 1.26,480 15,481 0.6,482 16.5,483 0.66,484 21.454,485 0.858,486 27.2,487 0.579,488 22.481,489 0.899,490 6.081,491 0.243,492 5.906,493 0.236,494 0.155,495 0.042,496 0.331,501 0.805,502 1.327,503 0.793,504 1.14,505 0.652,506 0.987,507 0.795,508 0.909,509 0.785,510 0.83,511 0.502,512 0.807,513 1.068,514 1.326,515 1.054,516 1.222,517 0.773,518 1.152,519 1.17,520 1.039,521 1.138,522 1.061,523 0.823,524 1.075,525 1.121,526 1.125,527 1.034,528 1.188,529 1.308,530 1.116,531 1.738,532 0.587,533 0.931,534 0.554,535 1.905,536 0.614,537 1.37,538 0.983,539 1.009,540 0.937,541 1.62,542 0.93,543 1.242,544 1.034,545 1.263,546 1.027,547 2.332,548 1.119,549 6,550 0.163,551 4,552 3.174,553 1.383,554 0.733,555 0.516,556 0.291,557 0.237,558 0.242,559 7345,560 17157,561 2.095,562 46.8,563 6,564 12,565 1,567 1,569 2,572 1.678,573 1.935,574 3.234,575 -0.356,577 1,582 69.765,583 1.484,584 3.499,585 4.663,586 5.081,587 5.166,588 5.166,589 2.628,590 4.404,591 4.62,592 3.426,593 1027.9,594 7.974,595 12383,597 1,599 1,600 261.066,601 1.643,602 4.557,603 0.214,604 0.008,605 0.095,606 0.074,607 0.04,608 0.026,609 0.022,610 0.012,611 0.011,612 0.013,613 0.515,614 0.5,615 1,616 0.609,617 120.136,618 -0.021,619 -0.155,620 0.072,621 -0.068,622 -0.066,623 0.004,624 0.243,625 0.195,626 0.158,627 0.178,628 0.2,629 0.155,630 -0.098,631 -0.265,632 -0.123,633 -0.205,634 -0.03,635 -0.177,636 -0.145,637 -0.025,638 -0.153,639 -0.109,640 -0.004,641 -0.121,642 0.007,643 -0.206,644 -0.027,645 -0.22,646 0.009,647 -0.143,648 -0.108,649 0.251,650 0.181,651 0.361,652 -0.153,653 0.323,654 -0.05,655 0.048,656 -0.018,657 0.05,658 -0.087,659 0.015,660 -0.012,661 0.046,662 -0.282,663 -0.069,664 -0.181,665 -0.193,666 2.148,667 5.238,668 0.72,669 19.469,670 1,671 1.123,672 3.079,673 9.478,674 0.659,675 3.367,676 3.761,677 4.094,678 4.407,679 4.595,680 4.644,681 4.804,682 4.868,683 4.883,684 4.956,685 6,686 0.627,687 338.44,688 3.367,689 4.949,690 5.838,691 6.76,692 7.671,693 8.601,694 9.523,695 10.458,696 11.389,697 12.328,698 4.3,704 1,705 1,715 7,720 5,722 12,736 1,737 1,741 47,743 13,744 2,745 28,747 50,748 20,749 12,750 5,751 7,756 4,757 7,763 2,764 1,766 1,767 1,770 1,772 13,773 7,777 1,782 1,786 1,790 1,793 22,794 5,795 1,796 5,802 2,808 0.5,809 3,815 1,828 2,829 2,831 1,832 1,835 1,858 1,859 2,864 3,868 25,876 2,877 1,878 2,880 1,881 1,882 1,893 6.4,896 1,897 1,898 1,901 12.917,902 9.367,903 5.319,904 2.796,907 2.193,908 1.291,909 0.972,910 3.971,911 9.73,912 3.584,913 4.174,914 4.71,915 5.254,916 5.733,917 5.86,918 6.18,919 6.433,920 6.543,921 6.745,922 1,923 43,924 9.271,926 4.018,927 0.026,929 7.663,931 17.899,933 15.191,936 2.163,937 54.083,940 1,941 247.193,942 123.398,943 21.135,945 47.145,948 123.398,949 294.338,950 21.135,951 26.047,952 25.138,953 66.334,954 36.145,955 31.252,956 18.534,957 235.422,959 247.193,960 144.533,961 47.145,964 223.651,965 59.687,966 11,968 42.788,969 101.745,972 247.193,973 68.28,974 123.398,977 247.193,978 31.017,979 95.505,980 18.011,981 47.145,982 247.193,983 68.28,984 123.398,986 0.599,987 0.365,988 0.201,989 0.103,990 23,991 10,992 0.06,993 3,994 2,995 1.222,996 3.666,997 216.826,998 0.222,999 18,1000 112.096,1005 16.431,1006 6.042,1007 2.697,1009 68.28,1010 13.421,1015 4.614,1017 18.011,1018 438.871,1019 35,1024 12.238,1028 -0.482,1031 47.022,1032 52.777,1034 0.267,1035 0.63,1036 0.839,1037 0.915,1038 0.93,1039 0.93,1040 4.875,1041 1.38,1042 5.883,1043 3.565,1044 4.443,1045 4.86,1046 2.539,1047 6.819,1048 4.362,1049 6.099,1050 1.213,1051 7.529,1052 3.026,1053 4.29,1054 4.758,1055 1.847,1056 8.189,1057 4.197,1058 7.44,1059 1.061,1060 9.295,1061 2.959,1062 6.192,1063 7.003,1064 3.585,1065 11.345,1066 6.051,1067 8.818,1068 0.626,1069 11.139,1070 2.634,1071 6.889,1072 7.671,1073 3.604,1074 13.619,1075 6.742,1076 10.234,1077 0.173,1078 13.037,1079 1.636,1080 8.339,1081 9.456,1082 4.933,1083 16.427,1084 8.16,1085 11.675,1086 -0.131,1087 14.975,1088 0.423,1089 9.398,1090 10.48,1091 5.293,1092 19.009,1093 9.21,1094 13.139,1095 -0.572,1096 16.944,1097 -0.32,1098 10.72,1099 12.075,1100 6.395,1101 21.741,1102 10.508,1103 3.705,1104 -0.616,1105 18.936,1106 -1.384,1107 11.927,1108 13.28,1109 6.931,1110 24.415,1111 11.701,1112 2.841,1113 15.054,1114 20.947,1115 -1.555,1116 13.222,1117 14.786,1118 7.904,1119 27.131,1120 12.974,1121 2.632,1122 8.787,1123 22.972,1124 4.198,1125 14.487,1126 16.087,1127 8.54,1128 29.832,1129 14.221,1130 2.436,1131 8.694,1132 25.008,1133 3.788,1134 15.782,1135 17.548,1136 9.436,1137 32.544,1138 15.494,1139 2.153,1140 7.787,1141 27.054,1142 3.284,1143 17.071,1144 18.902,1145 10.13,1146 35.252,1147 16.762,1148 1.845,1149 6.797,1150 29.106,1151 2.849,1152 18.371,1153 20.343,1154 10.982,1155 37.964,1156 18.04,1157 1.414,1158 5.279,1159 31.163,1160 2.586,1161 19.671,1162 21.727,1163 11.71,1164 40.675,1165 19.318,1166 6937,1167 10719,1168 18.493,1169 30.989,1170 43.231,1171 44.492,1172 45.164,1173 42.907,1174 42.956,1175 52.889,1176 8.666,1177 133.279,1178 41.167,1179 5.773,1180 5.969,1181 7.644,1182 5.775,1183 5.705,1184 7.198,1185 3.889,1186 23.395,1187 5.62,1188 12.369,1189 1.544,1190 1.589,1191 1.613,1192 1.532,1193 1.534,1194 1.889,1195 0.31,1196 4.76,1197 1.47,1198 4.078,1199 4.106,1200 4.028,1201 3.983,1202 7.435,1203 3.989,1204 3.926,1205 3.958,1206 3.863,1207 3.855,1208 4.869,1209 3.851,1210 3.663,1211 3.688,1212 3.582,1213 3.521,1214 4.751,1215 3.526,1216 3.388,1217 3.431,1218 3.323,1219 3.11,1220 4.595,1221 3.151,1222 3.262,1223 3.337,1224 3.101,1225 3.033,1226 4.198,1227 3.032,1228 3.169,1229 3.256,1230 2.963,1231 2.991,1232 3.939,1233 2.99,1234 3.108,1235 3.198,1236 2.888,1237 2.901,1238 3.897,1239 2.883,1240 2.84,1241 2.895,1242 2.708,1243 2.684,1244 3.869,1245 2.679,1246 0.172,1247 0.142,1248 0.284,1249 0.167,1250 0.132,1251 4.809,1252 0.15,1253 3.969,1254 0.078,1255 7.956,1256 0.538,1257 4.681,1258 0.129,1259 3.705,1260 4.198,1261 2.186,1262 15.054,1263 3.62,1264 1.919,1265 1.894,1266 2.036,1267 2.022,1268 1.31,1269 2.025,1270 1.897,1271 1.873,1272 2.002,1273 1.978,1274 1.135,1275 1.986,1276 1.623,1277 1.571,1278 1.829,1279 1.799,1280 1.031,1281 1.811,1282 1.392,1283 1.335,1284 1.659,1285 1.668,1286 0.858,1287 1.662,1288 1.218,1289 1.18,1290 1.553,1291 1.531,1292 0.631,1293 1.499,1294 1.202,1295 1.125,1296 1.538,1297 1.418,1298 0.604,1299 1.469,1300 1.134,1301 1.054,1302 1.312,1303 1.416,1304 0.365,1305 1.428,1306 0.842,1307 0.776,1308 1.209,1309 1.11,1310 0.27,1311 1.153,1312 4.043,1314 5.416,1315 3.045,1316 6.987,1317 5.587,1318 8.655,1319 7.84,1320 10.378,1322 6.206,1328 1.72,1329 2.795,1330 11.412,1332 0.054,1333 2.166,1334 -0.06,1340 29.455,1341 69.765,1342 164.46,1343 219.15,1344 238.801,1345 242.801,1346 242.801,1347 37.594,1348 7.537,1349 50.8,1350 50.8,1351 22,1352 12.826,1353 3.807,1354 3,1355 36.085,1356 91,1357 83,1358 0.196,1359 178.129,1360 313.21,1361 426.395,1362 19056,1364 17.604,1365 0.704,1366 0.588,1367 17.604,1368 14.705,1369 11.987,1370 0.428,1371 0.304,1372 8.398,1373 11.512,1374 8.092,1375 6.717,1376 11.987,1377 8.523,1378 11.411,1379 0.272,1380 0.167,1381 11.411,1382 7.01,1383 9.977,1384 0.169,1385 0.091,1386 9.977,1387 5.35,1388 8.648,1389 0.107,1390 0.048,1391 8.648,1392 3.923,1393 6.716,1394 0.069,1395 0.026,1396 6.716,1397 2.526,1398 0.307,1399 75.254,1400 0.233,1401 24.135,1402 0.54,1403 140,1404 385.185,1405 154.875,1406 365.779,1407 507.77,1408 344,1409 171,1410 382.525,1411 185.963,1412 386.307,1413 573.59,1414 362,1415 7.886}
{0 CHEMBL205940,1 1.558,2 7.316,3 2.081,4 4.33,5 71.421,6 7.09,7 0.286,8 3.727,9 3.841,10 3.259,11 3.183,12 4.768,13 3.18,14 4.321,15 4.499,16 3.686,17 3.621,18 5.374,19 3.604,20 4.524,21 4.693,22 3.744,23 3.804,24 5.516,25 3.753,26 4.685,27 4.907,28 3.564,29 3.8,30 5.634,31 3.702,32 4.537,33 4.77,34 3.342,35 3.631,36 5.467,37 3.491,38 4.443,39 4.741,40 3.043,41 3.311,42 5.262,43 3.157,44 3.957,45 4.196,46 2.94,47 2.95,48 4.986,49 2.885,50 3.833,51 4.046,52 2.777,53 2.775,54 5.118,55 2.729,56 0.034,57 0.532,58 8.363,59 3.396,60 6.021,61 4.575,62 0.45,63 0.856,64 17.001,65 5.649,66 33.514,67 7.878,68 0.214,69 1.033,70 20.27,71 7.612,72 24.179,73 10.297,74 0.468,75 1.093,76 25.544,77 8.094,78 44.561,79 11.429,80 0.265,81 0.928,82 21.556,83 7.682,84 31.174,85 10.966,86 0.46,87 0.722,88 21.445,89 6.171,90 38.958,91 9.353,92 0.256,93 0.494,94 12.553,95 3.607,96 21.073,97 5.27,98 0.382,99 0.435,100 11.277,101 2.486,102 42.708,103 3.827,104 20,105 32,106 0.287,107 0.637,108 0.816,109 0.869,110 0.869,111 0.869,112 3.012,113 0.921,114 -2.84,115 -2.85,116 -2.76,121 37.8,122 1,123 1,125 1,126 2,127 1,130 1,144 3,145 1,146 2,161 1,176 5,179 2,180 7,183 2,187 6,192 8,200 5,206 5,211 2,214 3,218 1,219 5,224 2,227 2,231 1,232 1,237 1,243 1,244 2,247 1,249 2,255 1,259 1,281 380,282 12.626,283 12.626,284 12.626,285 12.626,286 12.626,287 11.81,288 19.712,289 7.078,290 13.037,291 10.25,292 10.25,293 10.25,294 10.25,295 10.25,296 8.861,297 24.439,298 3.23,299 10.851,300 3.652,301 1.752,302 0.784,303 0.494,304 0.494,305 0.494,306 3.681,310 1,311 1,312 1,313 299,314 3.24,317 63.564,318 36.442,320 51.233,321 55.53,324 77.068,325 1.141,326 17.441,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 42,338 139,339 4.809,340 3.969,341 7.956,342 4.681,343 3.705,344 4.198,345 2.186,346 15.054,347 3.62,348 3.956,349 3.657,350 6.18,351 3.61,352 2.659,353 3.289,354 1.138,355 8.773,356 2.53,357 3.661,358 2.756,359 5.942,360 3.392,361 2.455,362 2.858,363 0.643,364 7.804,365 2.28,366 3.426,367 2.723,368 5.414,369 3.125,370 2.182,371 2.585,372 0.366,373 6.815,374 2.04,375 3.112,376 2.381,377 4.74,378 2.793,379 1.848,380 2.213,382 5.132,383 1.73,384 2.52,385 1.616,386 4.198,387 2.167,388 1.217,389 1.526,391 3.026,392 1.153,393 2.201,394 1.15,395 3.704,396 2.013,397 1.061,398 1.19,400 2.637,401 0.999,402 1.696,403 1.108,404 3.649,405 1.556,406 0.638,407 0.664,409 1.642,410 0.581,411 1.501,412 0.968,413 3.029,414 1.294,415 0.377,416 0.401,418 0.571,419 0.341,420 1.198,421 0.641,422 2.907,423 0.804,424 -0.164,425 -0.205,427 -0.367,428 -0.156,429 0.698,430 -0.158,431 2.445,432 0.348,433 -0.602,434 -0.63,436 -1.55,437 -0.562,438 0.552,439 -0.321,440 2.288,441 0.261,442 -0.712,443 -0.844,445 -1.943,446 -0.69,447 0.344,448 -0.642,449 2.201,450 0.082,451 -0.909,452 -1.233,454 -2.686,455 -0.894,456 -0.167,457 -0.869,458 1.922,459 -0.377,460 -1.339,461 -1.414,463 -3.081,464 -1.258,465 -0.318,466 -0.991,467 1.785,468 -0.459,469 -1.414,470 -1.659,472 -4.041,473 -1.363,474 8.8,475 0.463,476 0.613,477 0.032,478 21.5,479 1.132,480 8.5,481 0.447,482 13,483 0.684,484 16.063,485 0.845,486 21.8,487 0.589,488 14.579,489 0.767,490 4.189,491 0.22,492 4.87,493 0.256,494 0.208,495 0.057,496 0.33,501 0.822,502 1.536,503 0.802,504 1.294,505 0.636,506 1.074,507 0.839,508 0.777,509 0.781,510 0.733,511 0.502,512 0.731,513 1.029,514 1.304,515 1.004,516 1.251,517 0.726,518 1.148,519 1.277,520 0.951,521 1.203,522 0.995,523 1.027,524 1.068,525 0.758,526 1.256,527 1.089,528 1.368,529 0.859,530 1.315,531 0.896,532 0.772,533 0.802,534 0.765,535 0.814,536 0.773,537 1.115,538 1.051,539 0.91,540 0.987,541 1.292,542 0.93,543 1.58,544 1.032,545 1.368,546 0.941,547 2.918,548 1.067,549 5,551 3.333,552 2.674,553 0.961,554 0.615,555 0.375,556 0.287,557 0.118,558 0.025,559 2876,560 7641,561 2.038,562 48.6,563 3,564 11,565 1,567 1,569 2,572 1.606,573 1.854,574 2.834,575 -0.249,577 1,578 1,579 1,582 57.633,583 1.558,584 3.458,585 4.425,586 4.716,587 4.716,588 4.716,589 2.234,590 4.037,591 4.216,592 2.968,593 507.444,594 7.2,595 4788.16,596 1,597 1,599 1,600 192.75,601 1.747,602 4.142,603 0.238,605 0.104,606 0.081,607 0.037,608 0.032,609 0.027,610 0.022,611 0.012,612 0.008,613 0.562,614 0.83,615 1,616 1.368,617 80.314,618 -0.04,619 -0.264,620 0.074,621 -0.136,622 -0.059,623 -0.025,624 0.195,625 0.369,626 0.18,627 0.294,628 0.192,629 0.246,630 -0.104,631 -0.212,632 -0.082,633 -0.162,634 0.002,635 -0.126,636 -0.234,637 0.047,638 -0.23,639 -0.015,640 -0.112,641 -0.103,642 0.022,643 -0.293,644 -0.162,645 -0.345,646 -0.046,647 -0.301,648 0.083,649 0.022,650 0.21,651 0.138,652 0.007,653 0.19,654 0.041,655 -0.123,656 0.106,657 -0.066,658 0.003,659 0.006,660 -0.047,661 -0.017,662 -0.296,663 -0.111,664 -0.165,665 -0.228,666 2.115,667 4.285,668 0.632,669 12.316,670 1.007,671 1.134,672 1.613,673 2.601,674 0.634,675 3.091,676 3.497,677 3.85,678 4.174,679 4.369,680 4.466,681 4.635,682 4.673,683 4.575,684 4.454,685 4.433,686 0.605,687 262.34,688 3.091,689 4.673,690 5.572,691 6.509,692 7.435,693 8.382,694 9.321,695 10.273,696 11.219,697 12.174,698 5.4,704 1,705 1,715 3,720 3,722 6,736 1,737 1,741 37,743 7,744 1,745 21,747 39,748 14,749 6,750 3,751 3,756 3,757 6,763 1,764 1,766 1,767 1,770 1,772 7,773 7,777 1,782 1,786 1,789 1,790 1,793 18,794 5,795 1,796 5,802 2,808 0.333,809 3,815 1,828 2,829 1,831 1,832 1,835 1,858 1,859 1,864 3,868 19,876 2,877 1,878 2,880 1,881 1,882 1,893 8.1,896 1,897 1,898 1,901 10.25,902 7.533,903 4.125,904 2.171,907 1.326,908 1.196,909 0.936,910 2.947,911 8.108,912 3.258,913 3.818,914 4.347,915 4.886,916 5.372,917 5.617,918 5.971,919 6.183,920 6.154,921 6.056,922 0.8,923 33,924 7.033,926 3.021,927 0.026,929 7.75,931 13.521,933 11.405,936 2.25,937 42.75,938 0.001,941 200.109,942 79.122,943 21.135,945 47.145,948 79.122,949 247.253,950 21.135,951 25.618,952 25.138,953 28.429,954 36.145,955 25.31,956 18.534,957 188.338,959 200.109,960 100.257,961 47.145,964 176.567,965 59.687,966 11,968 33.963,969 66.294,972 200.109,973 68.28,974 79.122,977 200.109,978 25.075,979 57.171,980 18.011,981 47.145,982 200.109,983 68.28,984 79.122,986 0.598,987 0.371,988 0.197,989 0.102,990 18,991 8,992 0.051,993 2,994 2,995 1.333,996 3.01,997 149.261,998 0.333,999 12,1000 80.711,1005 12.758,1006 4.389,1007 1.817,1009 68.28,1010 5.755,1015 2.913,1017 18.011,1018 347.51,1019 25,1024 11.285,1028 -0.448,1031 37.254,1032 41.946,1034 0.299,1035 0.664,1036 0.849,1037 0.905,1038 0.905,1039 0.905,1040 4.57,1041 0.638,1042 5.638,1043 2.637,1044 4.174,1045 4.5,1046 2.539,1047 6.613,1048 4.074,1049 5.794,1050 0.377,1051 7.313,1052 1.642,1053 4.111,1054 4.494,1055 1.847,1056 8.084,1057 4.009,1058 7.149,1059 -0.164,1060 9.108,1061 0.571,1062 5.974,1063 6.623,1064 3.585,1065 11.245,1066 5.812,1067 8.545,1068 -0.602,1069 10.98,1070 -0.367,1071 6.746,1072 7.388,1073 3.604,1074 13.571,1075 6.591,1076 9.978,1077 -0.712,1078 12.905,1079 -1.55,1080 8.183,1081 9.089,1082 4.933,1083 16.389,1084 7.992,1085 11.438,1086 -0.909,1087 14.866,1088 -1.943,1089 9.293,1090 10.193,1091 5.293,1092 18.99,1093 9.1,1094 12.92,1095 -1.339,1096 16.856,1097 -2.686,1098 10.62,1099 11.741,1100 6.395,1101 21.728,1102 10.402,1103 3.705,1104 -1.414,1105 18.865,1106 -3.081,1107 11.856,1108 13.007,1109 6.931,1110 24.408,1111 11.627,1112 2.659,1113 15.054,1114 20.891,1115 -4.041,1116 13.16,1117 14.493,1118 7.904,1119 27.127,1120 12.91,1121 2.455,1122 8.773,1123 22.928,1124 4.198,1125 14.442,1126 15.84,1127 8.54,1128 29.829,1129 14.174,1130 2.182,1131 7.804,1132 24.974,1133 3.289,1134 15.745,1135 17.298,1136 9.436,1137 32.543,1138 15.456,1139 1.848,1140 6.815,1141 27.027,1142 2.858,1143 17.043,1144 18.687,1145 10.13,1146 35.252,1147 16.734,1148 1.217,1149 5.132,1150 29.085,1151 2.585,1152 18.349,1153 20.132,1154 10.982,1155 37.964,1156 18.018,1157 1.061,1158 3.026,1159 31.147,1160 2.213,1161 19.654,1162 21.543,1163 11.71,1164 40.675,1165 19.301,1166 2912,1167 4812,1168 13.523,1169 23.466,1170 32.349,1171 33.826,1172 34.804,1173 32.202,1174 32.282,1175 37.848,1176 8.666,1177 102.908,1178 30.549,1179 5.773,1180 5.969,1181 7.507,1182 5.771,1183 5.705,1184 7.198,1185 3.889,1186 23.395,1187 5.62,1188 10.207,1189 1.54,1190 1.611,1191 1.657,1192 1.533,1193 1.537,1194 1.802,1195 0.413,1196 4.9,1197 1.455,1198 4.075,1199 4.102,1200 4.025,1201 3.98,1202 7.435,1203 3.986,1204 3.678,1205 3.705,1206 3.601,1207 3.523,1208 4.863,1209 3.529,1210 3.505,1211 3.57,1212 3.404,1213 3.207,1214 4.6,1215 3.249,1216 3.291,1217 3.387,1218 3.117,1219 3.059,1220 4.265,1221 3.06,1222 3.112,1223 3.201,1224 2.892,1225 2.902,1226 4.071,1227 2.884,1228 2.969,1229 3.014,1230 2.77,1231 2.698,1232 3.895,1233 2.703,1234 2.775,1235 2.849,1236 2.586,1237 2.611,1238 3.807,1239 2.599,1240 2.702,1241 2.793,1242 2.464,1243 2.472,1244 3.495,1245 2.464,1246 0.229,1247 0.189,1248 0.379,1249 0.223,1250 0.176,1251 4.809,1252 0.2,1253 3.969,1254 0.104,1255 7.956,1256 0.717,1257 4.681,1258 0.172,1259 3.705,1260 4.198,1261 2.186,1262 15.054,1263 3.62,1264 1.903,1265 1.884,1266 2.004,1267 1.993,1268 1.31,1269 1.994,1270 1.624,1271 1.572,1272 1.83,1273 1.8,1274 1.031,1275 1.813,1276 1.419,1277 1.357,1278 1.693,1279 1.748,1280 0.858,1281 1.726,1282 1.367,1283 1.298,1284 1.654,1285 1.64,1286 0.682,1287 1.646,1288 1.17,1289 1.083,1290 1.537,1291 1.441,1292 0.63,1293 1.475,1294 0.878,1295 0.833,1296 1.21,1297 1.209,1298 0.365,1299 1.177,1300 0.817,1301 0.734,1302 1.087,1303 1.109,1304 0.149,1305 1.149,1306 0.726,1307 0.645,1308 1.014,1309 0.949,1310 0.083,1311 0.986,1312 3.761,1314 5.142,1315 3.045,1316 6.727,1317 5.587,1318 8.413,1319 7.84,1320 10.161,1322 5.793,1328 1.754,1329 2.45,1330 11.031,1332 0.081,1333 2.159,1334 -0.022,1340 22.402,1341 57.633,1342 127.937,1343 163.73,1344 174.485,1345 174.485,1346 174.485,1347 27.118,1348 6.782,1349 50.8,1350 50.8,1351 16,1352 12.662,1353 3,1354 2.322,1355 27.752,1356 50,1357 58,1358 0.291,1359 136.751,1360 240.59,1361 325.432,1362 6395,1364 13.621,1365 0.717,1366 0.6,1367 13.621,1368 11.396,1369 9.059,1370 0.431,1371 0.307,1372 6.312,1373 8.562,1374 6.07,1375 5.038,1376 9.059,1377 6.446,1378 8.562,1379 0.268,1380 0.166,1381 8.562,1382 5.32,1383 7.68,1384 0.167,1385 0.091,1386 7.68,1387 4.172,1388 6.459,1389 0.101,1390 0.049,1391 6.459,1392 3.125,1393 4.995,1394 0.064,1395 0.026,1396 4.995,1397 2.047,1398 0.432,1399 57.834,1400 0.272,1401 18.445,1402 0.867,1403 106,1404 317.185,1405 120.209,1406 293.747,1407 402.63,1408 276,1409 131,1410 298.68,1411 145.131,1412 298.792,1413 446.3,1414 279,1415 7.252}
{0 CHEMBL205967,1 1.537,2 7.947,3 1.992,4 3.969,5 68.314,6 7.314,7 0.286,8 3.708,9 3.805,10 3.262,11 3.168,12 4.762,13 3.175,14 4.302,15 4.45,16 3.684,17 3.584,18 5.422,19 3.575,20 4.536,21 4.711,22 3.678,23 3.729,24 5.525,25 3.686,26 4.555,27 4.774,28 3.497,29 3.611,30 5.566,31 3.538,32 4.355,33 4.551,34 3.312,35 3.38,36 5.449,37 3.326,38 4.098,39 4.307,40 3.019,41 3.137,42 5.088,43 3.061,44 3.926,45 4.147,46 3.006,47 3.019,48 5.053,49 2.945,50 3.951,51 4.176,52 2.776,53 2.887,54 5.13,55 2.812,56 0.061,57 0.49,58 7.826,59 3.548,60 6.085,61 4.391,62 0.503,63 0.788,64 16.258,65 5.968,66 37.36,67 7.673,68 0.379,69 0.955,70 20.923,71 7.539,72 30.41,73 9.752,74 0.462,75 0.9,76 22.693,77 7.416,78 43.71,79 10.018,80 0.533,81 0.725,82 18.682,83 5.601,84 46.319,85 7.426,86 0.41,87 0.566,88 14.415,89 4.419,90 29.803,91 6.019,92 0.273,93 0.509,94 11.677,95 3.851,96 25.187,97 5.579,98 0.464,99 0.484,100 12.842,101 3.144,102 50.406,103 4.553,104 14,105 31,106 0.285,107 0.641,108 0.813,109 0.869,110 0.879,111 0.879,112 3.011,113 0.927,114 -2.84,115 -2.85,116 -2.76,121 38.9,122 2,123 1,125 1,127 2,130 1,144 3,145 1,146 2,161 1,176 5,179 2,180 7,183 2,185 1,187 6,192 7,200 5,206 8,211 2,214 3,218 1,219 5,224 2,227 2,231 1,232 1,237 1,239 2,243 1,244 2,247 1,249 2,251 2,255 1,259 1,264 1,269 1,277 2,281 374,282 12.704,283 12.704,284 12.704,285 12.704,286 12.704,287 11.864,288 19.106,289 7.4,290 13.003,291 10.346,292 10.346,293 10.346,294 10.346,295 10.346,296 8.963,297 22.376,298 3.464,299 10.799,300 3.633,301 1.712,302 0.785,303 0.486,304 0.431,305 0.431,306 3.686,311 1,312 1,313 328,314 3.317,317 36.007,318 79.823,319 48.115,322 68.115,323 75.822,325 1.224,326 21.392,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 42.5,338 151,339 4.664,340 3.814,341 7.576,342 4.528,343 3.537,344 4.105,345 2.186,346 13.68,347 3.502,348 3.937,349 3.659,350 5.861,351 3.595,352 2.65,353 3.232,354 1.392,355 8.146,356 2.501,357 3.635,358 2.903,359 5.432,360 3.312,361 2.364,362 2.839,363 0.532,364 7.179,365 2.234,366 3.368,367 2.759,368 5.33,369 3.229,370 2.248,371 2.536,372 0.366,373 6.712,374 2.181,375 3.204,376 2.423,377 4.773,378 2.884,379 1.924,380 2.272,382 5.322,383 1.831,384 2.557,385 1.511,386 4.169,387 2.137,388 1.14,389 1.579,391 3.149,392 1.136,393 2.123,394 1.348,395 3.72,396 1.983,397 1.025,398 1.08,400 1.869,401 0.973,402 1.753,403 1.173,404 3.175,405 1.637,406 0.74,407 0.747,409 1.714,410 0.655,411 1.47,412 0.889,413 3.069,414 1.167,415 0.239,416 0.274,418 0.607,419 0.218,420 0.879,421 0.4,422 2.936,423 0.627,424 -0.312,425 -0.337,427 -0.698,428 -0.289,429 0.691,430 -0.049,431 2.486,432 0.441,433 -0.546,434 -0.592,436 -1.162,437 -0.535,438 0.646,439 -0.257,440 2.269,441 0.376,442 -0.648,443 -0.792,445 -1.813,446 -0.655,447 0.438,448 -0.53,449 2.152,450 0.127,451 -0.867,452 -0.993,454 -2.686,455 -0.861,456 0.146,457 -0.713,458 1.917,459 -0.004,460 -1,461 -1.297,463 -2.885,464 -0.995,465 -0.327,466 -0.935,467 1.652,468 -0.508,469 -1.454,470 -1.643,472 -3.643,473 -1.357,474 8.733,475 0.46,476 0.568,477 0.03,478 21.25,479 1.118,480 8.5,481 0.447,482 12.75,483 0.671,484 15.779,485 0.83,486 21.867,487 0.607,488 13.916,489 0.732,490 4.012,491 0.211,492 5.092,493 0.268,494 0.153,495 0.057,496 0.286,501 0.823,502 1.384,503 0.77,504 1.274,505 0.657,506 1.045,507 0.803,508 0.917,509 0.79,510 0.921,511 0.514,512 0.863,513 1.134,514 1.101,515 1.046,516 1.128,517 0.839,518 1.074,519 1.137,520 1.011,521 0.997,522 1.006,523 1.008,524 0.98,525 1.385,526 1.016,527 1.197,528 1,529 1.626,530 1.045,531 1.178,532 1.023,533 1.136,534 0.994,535 1.138,536 1.048,537 0.535,538 1.267,539 0.796,540 1.164,541 0.941,542 1.066,543 1.328,544 0.817,545 1.325,546 0.822,547 2.553,548 1.007,549 5.5,550 0.032,551 2.444,552 1.819,553 1.134,554 0.382,555 0.42,556 0.196,557 0.161,558 0.05,559 3098,560 8398,561 2.069,562 47.2,563 3,564 7,565 1,567 1,569 3,570 2,572 1.603,573 1.916,574 2.95,575 -0.249,577 1,578 1,579 1,582 55.327,583 1.537,584 3.458,585 4.385,586 4.684,587 4.739,588 4.739,589 2.465,590 4.037,591 4.217,592 3.084,593 527.343,594 7.184,595 5028.75,596 1,597 1,599 1,600 186.117,601 1.638,602 4.16,603 0.262,604 0.016,605 0.079,606 0.061,607 0.047,608 0.02,609 0.03,610 0.014,611 0.016,612 0.008,613 0.553,614 0.83,615 1,616 1.538,617 81.296,618 -0.049,619 -0.152,620 0.069,621 -0.114,622 -0.067,623 -0.009,624 0.226,625 0.182,626 0.148,627 0.127,628 0.217,629 0.119,630 -0.154,631 -0.066,632 -0.107,633 -0.098,634 -0.082,635 -0.089,636 -0.13,637 -0.079,638 -0.016,639 -0.031,640 -0.03,641 -0.003,642 -0.155,643 -0.064,644 -0.184,645 -0.058,646 -0.204,647 -0.117,648 -0.07,649 -0.074,650 -0.139,651 -0.045,652 -0.149,653 -0.1,654 0.266,655 -0.271,656 0.15,657 -0.189,658 0.211,659 -0.077,660 -0.093,661 0.187,662 -0.283,663 0.02,664 -0.293,665 -0.138,666 2.107,667 4.43,668 0.632,669 12.161,670 1.013,671 1.129,672 1.613,673 2.601,674 0.637,675 3.091,676 3.466,677 3.738,678 4.06,679 4.29,680 4.407,681 4.522,682 4.522,683 4.615,684 4.554,685 4.708,686 0.614,687 263.32,688 3.091,689 4.654,690 5.517,691 6.435,692 7.324,693 8.25,694 9.153,695 10.082,696 10.994,697 11.925,698 2.8,705 1,715 3,720 3,722 6,737 1,739 1,741 36,743 7,744 1,745 21,747 38,748 14,749 6,750 3,751 3,756 3,757 6,763 2,764 1,766 1,767 1,770 1,772 7,773 7,777 1,782 1,786 1,789 1,790 1,793 17,794 5,795 1,796 5,802 1,808 0.333,809 4,815 1,828 1,829 2,830 1,833 1,834 1,858 1,859 1,864 2,868 19,876 3,877 1,878 3,880 1,882 1,893 11.1,896 1,897 1,898 2,901 9.917,902 7,903 4.111,904 2.285,907 1.321,908 1.195,909 0.935,910 3.149,911 8.084,912 3.258,913 3.795,914 4.266,915 4.807,916 5.296,917 5.519,918 5.853,919 6.021,920 6.191,921 6.169,922 1,923 30,924 7.048,926 3.039,927 0.026,929 7.803,931 13.458,933 11.265,936 2.303,937 43.75,938 0.001,941 188.338,942 76.106,943 18.011,945 58.145,948 76.106,949 246.482,950 18.011,951 17.65,952 27.243,953 28.788,954 36.145,955 35.672,956 18.534,957 176.567,959 188.338,960 94.117,961 58.145,964 129.482,965 106,966 11,967 0.36,968 44.894,969 48.864,972 188.338,973 76.155,974 76.106,977 188.697,978 29.668,979 46.079,980 18.011,981 58.145,982 188.338,983 76.155,984 76.106,986 0.588,987 0.338,988 0.187,989 0.098,990 17,991 7,992 0.079,993 3,994 3,995 1.417,996 3.099,997 144.762,998 0.5,999 11,1000 80.711,1005 12.758,1006 4.689,1007 2.303,1009 76.155,1010 5.445,1015 2.391,1017 18.011,1018 340.599,1019 25,1024 11.43,1028 -0.44,1031 36.48,1032 40.658,1034 0.297,1035 0.669,1036 0.848,1037 0.906,1038 0.917,1039 0.917,1040 4.549,1041 0.74,1042 5.565,1043 1.869,1044 4.143,1045 4.477,1046 2.637,1047 6.472,1048 4.068,1049 5.757,1050 0.239,1051 7.188,1052 1.714,1053 4.007,1054 4.425,1055 1.784,1056 7.823,1057 3.947,1058 7.093,1059 -0.312,1060 8.929,1061 0.607,1062 5.883,1063 6.571,1064 3.7,1065 10.903,1066 5.762,1067 8.462,1068 -0.546,1069 10.745,1070 -0.698,1071 6.553,1072 7.272,1073 3.59,1074 13.104,1075 6.456,1076 9.867,1077 -0.648,1078 12.615,1079 -1.162,1080 7.985,1081 8.989,1082 5.007,1083 15.834,1084 7.854,1085 11.295,1086 -0.867,1087 14.523,1088 -1.813,1089 9.004,1090 10.034,1091 5.289,1092 18.324,1093 8.891,1094 12.743,1095 -1,1096 16.46,1097 -2.686,1098 10.301,1099 11.587,1100 6.433,1101 20.97,1102 10.171,1103 3.537,1104 -1.454,1105 18.419,1106 -2.885,1107 11.466,1108 12.805,1109 6.93,1110 23.548,1111 11.343,1112 2.65,1113 13.68,1114 20.394,1115 -3.643,1116 12.728,1117 14.286,1118 7.922,1119 26.173,1120 12.596,1121 2.364,1122 8.146,1123 22.383,1124 4.105,1125 13.951,1126 15.594,1127 8.539,1128 28.777,1129 13.819,1130 2.248,1131 7.179,1132 24.38,1133 3.232,1134 15.208,1135 17.04,1136 9.444,1137 31.396,1138 15.068,1139 1.924,1140 6.712,1141 26.384,1142 2.839,1143 16.454,1144 18.396,1145 10.13,1146 34.008,1147 16.309,1148 1.14,1149 5.322,1150 28.394,1151 2.536,1152 17.711,1153 19.825,1154 10.985,1155 36.625,1156 17.559,1157 1.025,1158 3.149,1159 30.408,1160 2.272,1161 18.967,1162 21.207,1163 11.71,1164 39.24,1165 18.807,1166 3085,1167 5159,1168 13.811,1169 22.915,1170 31.995,1171 33.211,1172 33.068,1173 31.629,1174 31.733,1175 37.328,1176 8.951,1177 96.758,1178 30.464,1179 5.611,1180 5.814,1181 7.348,1182 5.6,1183 5.537,1184 7.105,1185 3.889,1186 21.662,1187 5.502,1188 9.028,1189 1.524,1190 1.581,1191 1.575,1192 1.506,1193 1.511,1194 1.778,1195 0.426,1196 4.608,1197 1.451,1198 4.043,1199 4.056,1200 3.99,1201 3.945,1202 7.435,1203 3.952,1204 3.686,1205 3.722,1206 3.606,1207 3.52,1208 4.949,1209 3.528,1210 3.571,1211 3.635,1212 3.447,1213 3.359,1214 4.628,1215 3.366,1216 3.201,1217 3.232,1218 3.064,1219 2.933,1220 4.279,1221 2.961,1222 3.132,1223 3.192,1224 2.971,1225 2.872,1226 4.144,1227 2.896,1228 2.843,1229 2.921,1230 2.677,1231 2.647,1232 3.952,1233 2.631,1234 2.771,1235 2.853,1236 2.578,1237 2.556,1238 3.752,1239 2.564,1240 2.679,1241 2.732,1242 2.485,1243 2.514,1244 3.508,1245 2.494,1246 0.222,1247 0.182,1248 0.361,1249 0.216,1250 0.168,1251 4.664,1252 0.195,1253 3.814,1254 0.104,1255 7.576,1256 0.651,1257 4.528,1258 0.167,1259 3.537,1260 4.105,1261 2.186,1262 13.68,1263 3.502,1264 1.946,1265 1.93,1266 2.048,1267 2.045,1268 1.352,1269 2.044,1270 1.572,1271 1.519,1272 1.844,1273 1.828,1274 0.989,1275 1.829,1276 1.521,1277 1.45,1278 1.752,1279 1.685,1280 0.92,1281 1.71,1282 1.294,1283 1.265,1284 1.541,1285 1.603,1286 0.772,1287 1.575,1288 1.043,1289 1.02,1290 1.327,1291 1.385,1292 0.455,1293 1.348,1294 0.882,1295 0.767,1296 1.25,1297 1.188,1298 0.223,1299 1.242,1300 0.802,1301 0.743,1302 1.093,1303 1.009,1304 0.168,1305 1.036,1306 0.644,1307 0.598,1308 0.902,1309 0.879,1310 0.003,1311 0.896,1312 3.761,1314 5.118,1315 2.398,1316 6.676,1317 4.844,1318 8.337,1319 7.034,1320 10.059,1322 3.989,1328 2.014,1329 2.6,1330 16.523,1332 -0.146,1334 -0.057,1340 22.095,1341 55.327,1342 124.502,1343 157.853,1344 168.608,1345 170.608,1346 170.608,1347 28.232,1348 6.763,1349 56.79,1350 56.79,1351 17,1352 12.43,1353 3,1354 2.322,1355 27.862,1356 54,1357 63,1358 0.269,1359 133.953,1360 238.38,1361 318.605,1362 6472,1364 13.458,1365 0.708,1366 0.582,1367 13.458,1368 11.064,1369 9.104,1370 0.434,1371 0.309,1372 6.363,1373 8.595,1374 6.183,1375 5.108,1376 9.104,1377 6.491,1378 8.674,1379 0.28,1380 0.168,1381 8.674,1382 5.201,1383 7.029,1384 0.171,1385 0.088,1386 7.029,1387 3.596,1388 6.213,1389 0.109,1390 0.046,1391 6.213,1392 2.602,1393 4.843,1394 0.067,1395 0.024,1396 4.843,1397 1.7,1398 0.408,1399 58.199,1400 0.269,1401 18.716,1402 0.774,1403 104,1404 339.275,1405 120.445,1406 308.283,1407 419.13,1408 290,1409 124,1410 308.508,1411 138.953,1412 303.546,1413 453,1414 285,1415 5.616}
{0 CHEMBL206093,1 1.486,2 9.667,3 3.965,4 15.721,5 88.274,6 7.567,7 0.444,8 3.885,9 3.977,10 3.474,11 3.418,12 4.971,13 3.416,14 4.45,15 4.581,16 3.897,17 3.835,18 5.578,19 3.819,20 4.673,21 4.831,22 3.911,23 3.957,24 5.707,25 3.913,26 4.769,27 4.981,28 3.716,29 3.865,30 5.776,31 3.786,32 4.597,33 4.822,34 3.623,35 3.633,36 5.705,37 3.578,38 4.37,39 4.557,40 3.395,41 3.415,42 5.514,43 3.388,44 4.108,45 4.277,46 3.388,47 3.394,48 5.295,49 3.352,50 4.197,51 4.376,52 3.286,53 3.439,54 5.379,55 3.363,56 0.043,57 0.573,58 8.607,59 4.248,60 6.856,61 5.05,62 0.46,63 0.944,64 17.424,65 7.29,66 36.611,67 8.934,68 0.263,69 1.173,70 22.236,71 9.085,72 27.715,73 11.206,74 0.476,75 1.233,76 27.342,77 9.469,78 44.404,79 12.138,80 0.433,81 1.006,82 23.568,83 7.985,84 47.531,85 10.47,86 0.586,87 0.761,88 19.229,89 5.909,90 55.376,91 6.894,92 0.299,93 0.664,94 12.983,95 5.023,96 30.205,97 6.408,98 0.4,99 0.732,100 14.524,101 5.178,102 45.909,103 6.579,104 10,105 40,106 0.259,107 0.617,108 0.796,109 0.876,110 0.892,111 0.892,112 3.229,113 0.893,114 -4.08,115 -4.03,116 -3.81,121 44.2,122 2,123 1,125 1,127 1,130 1,144 7,145 2,146 3,161 1,176 10,179 2,180 7,183 2,185 2,187 11,192 8,197 3,200 9,206 9,211 3,214 4,218 1,219 11,224 2,227 2,231 1,232 3,237 1,239 4,243 1,244 2,247 1,249 2,251 10,255 1,259 1,264 10,269 2,277 9,281 752,282 16.134,283 16.134,284 16.134,285 16.134,286 16.134,287 14.49,288 21.436,289 9.29,290 16.413,291 13.322,292 13.322,293 13.322,294 13.322,295 13.322,296 10.847,297 26.695,298 4.394,299 13.767,300 3.94,301 1.892,302 0.864,303 0.407,304 0.314,305 0.314,306 3.924,310 1,311 1,312 1,313 517,314 3.317,317 92.683,318 127.855,320 74.457,321 78.172,324 109.827,325 1.472,326 23.884,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 52.5,338 232,339 4.755,340 3.956,341 7.887,342 4.642,343 3.649,344 4.153,345 2.186,346 14.705,347 3.621,348 4.189,349 3.679,350 6.056,351 3.813,352 2.841,353 3.788,354 1.392,355 8.714,356 2.765,357 3.941,358 2.911,359 5.982,360 3.58,361 2.622,362 3.276,363 0.532,364 8.222,365 2.504,366 3.6,367 2.763,368 5.395,369 3.235,370 2.285,371 2.824,372 0.366,373 6.975,374 2.146,375 3.291,376 2.546,377 5.249,378 2.915,379 1.953,380 2.501,382 5.906,383 1.861,384 2.966,385 2.408,386 4.777,387 2.788,388 1.816,389 2.048,391 5.25,392 1.759,393 2.874,394 1.669,395 4.12,396 2.414,397 1.414,398 2.032,400 3.562,401 1.414,402 2.804,403 1.57,404 4.079,405 2.366,406 1.378,407 1.912,409 2.972,410 1.355,411 2.42,412 1.472,413 3.646,414 2.114,415 1.137,416 1.401,418 2.957,419 1.11,420 2.14,421 1.156,422 3.596,423 2.016,424 1.06,425 1.135,427 2.503,428 1.003,429 1.5,430 0.906,431 3.153,432 1.244,433 0.32,434 0.361,436 0.838,437 0.293,438 1.393,439 0.594,440 2.974,441 1.078,442 0.106,443 0.126,445 0.252,446 0.102,447 0.953,448 0.393,449 2.816,450 0.679,451 -0.273,452 -0.315,454 -0.719,455 -0.257,456 0.781,457 -0.069,458 2.431,459 0.406,460 -0.594,461 -0.703,463 -1.403,464 -0.582,465 0.61,466 -0.315,467 2.331,468 0.266,469 -0.717,470 -0.869,472 -1.883,473 -0.698,474 11.233,475 0.468,476 0.699,477 0.029,478 30.75,479 1.281,480 15,481 0.625,482 15.75,483 0.656,484 19.258,485 0.802,486 25.967,487 0.604,488 21.36,489 0.89,490 5.942,491 0.248,492 5.618,493 0.234,494 0.119,495 0.045,496 0.312,501 0.806,502 1.196,503 0.742,504 1.107,505 0.664,506 0.94,507 0.78,508 0.939,509 0.775,510 0.914,511 0.534,512 0.861,513 1.086,514 1.266,515 1.044,516 1.216,517 0.809,518 1.139,519 1.28,520 1.056,521 1.155,522 1.04,523 0.953,524 1.061,525 1.101,526 1.013,527 0.891,528 0.99,529 1.385,530 0.909,531 1.941,532 0.728,533 1.231,534 0.683,535 2.381,536 0.791,537 0.847,538 1.075,539 0.897,540 0.987,541 1.292,542 0.962,543 1.088,544 0.93,545 1.268,546 0.965,547 2.086,548 1.106,549 6,550 0.114,551 3.556,552 2.424,553 1.218,554 0.615,555 0.501,556 0.228,557 0.231,558 0.217,559 6776,560 17072,561 2.125,562 44.2,563 6,564 9,565 1,567 1,569 2,572 1.666,573 1.986,574 3.235,575 -0.342,577 1,582 63.908,583 1.486,584 3.534,585 4.562,586 5.019,587 5.112,588 5.112,589 2.62,590 4.502,591 4.562,592 3.41,593 941.05,594 7.853,595 11056.7,597 1,599 1,600 233.329,601 1.564,602 4.509,603 0.222,604 0.006,605 0.089,606 0.062,607 0.041,608 0.023,609 0.023,610 0.01,611 0.012,612 0.012,613 0.499,614 0.67,615 1,616 0.566,617 113.973,618 -0.036,619 -0.079,620 0.067,621 -0.056,622 -0.076,623 0.015,624 0.255,625 0.109,626 0.133,627 0.099,628 0.2,629 0.087,630 -0.109,631 -0.249,632 -0.123,633 -0.219,634 -0.042,635 -0.183,636 -0.179,637 -0.078,638 -0.148,639 -0.092,640 -0.055,641 -0.108,642 0.036,643 -0.07,644 0.148,645 -0.046,646 0.049,647 0.057,648 -0.27,649 0.207,650 -0.136,651 0.241,652 -0.36,653 0.107,654 0.144,655 -0.049,656 0.044,657 -0.002,658 0.092,659 -0.007,660 -0.043,661 0.14,662 -0.315,663 -0.016,664 -0.251,665 -0.181,666 2.174,667 5.153,668 0.75,669 18.083,670 1.008,671 1.118,672 2.851,673 8.129,674 0.667,675 3.332,676 3.714,677 4.025,678 4.317,679 4.5,680 4.543,681 4.71,682 4.771,683 4.787,684 4.875,685 5.912,686 0.642,687 325.39,688 3.332,689 4.905,690 5.784,691 6.696,692 7.595,693 8.513,694 9.424,695 10.346,696 11.264,697 12.19,698 2.3,705 1,715 7,720 5,722 12,737 1,739 1,741 43,743 13,744 2,745 27,747 46,748 19,749 12,750 5,751 7,756 4,757 7,763 2,764 1,766 1,767 1,770 1,772 13,773 6,777 1,782 1,786 1,790 1,793 19,794 5,795 1,796 5,802 1,808 0.5,809 4,815 1,828 2,829 2,831 1,832 1,835 1,858 1,859 2,864 2,868 24,876 2,877 1,878 3,880 1,882 1,893 9.3,896 1,897 1,898 2,901 12.083,902 8.333,903 5.097,904 2.576,907 2.2,908 1.296,909 0.976,910 3.74,911 9.644,912 3.555,913 4.143,914 4.663,915 5.2,916 5.678,917 5.782,918 6.103,919 6.356,920 6.451,921 6.682,922 1,923 39,924 8.901,926 3.891,927 0.026,929 7.733,931 17.019,933 14.408,936 2.233,937 53.583,940 1,941 211.88,942 117.848,943 18.011,945 58.145,948 117.848,949 270.024,950 18.011,951 17.65,952 25.138,953 66.693,954 36.145,955 41.615,956 18.534,957 200.109,959 211.88,960 135.859,961 58.145,964 188.338,965 70.687,966 11,967 0.36,968 42.788,969 92.711,972 211.88,973 76.155,974 117.848,977 212.239,978 33.504,979 83.984,980 18.011,981 58.145,982 211.88,983 76.155,984 117.848,986 0.596,987 0.356,988 0.193,989 0.099,990 22,991 9,992 0.065,993 3,994 2,995 1.222,996 3.64,997 202.695,998 0.222,999 18,1000 108.039,1005 15.486,1006 5.796,1007 2.693,1009 76.155,1010 13.016,1015 4.052,1017 18.011,1018 405.883,1019 34,1024 12.153,1028 -0.507,1031 43.363,1032 48.073,1034 0.274,1035 0.651,1036 0.841,1037 0.925,1038 0.942,1039 0.942,1040 4.836,1041 1.378,1042 5.82,1043 3.562,1044 4.394,1045 4.828,1046 2.637,1047 6.732,1048 4.334,1049 6.056,1050 1.137,1051 7.449,1052 2.972,1053 4.205,1054 4.705,1055 1.784,1056 8.085,1057 4.146,1058 7.391,1059 1.06,1060 9.201,1061 2.957,1062 6.125,1063 6.969,1064 3.7,1065 11.216,1066 6.025,1067 8.764,1068 0.32,1069 11.034,1070 2.503,1071 6.792,1072 7.617,1073 3.59,1074 13.487,1075 6.708,1076 10.174,1077 0.106,1078 12.924,1079 0.838,1080 8.249,1081 9.414,1082 5.007,1083 16.269,1084 8.14,1085 11.609,1086 -0.273,1087 14.857,1088 0.252,1089 9.288,1090 10.419,1091 5.289,1092 18.839,1093 9.192,1094 13.066,1095 -0.594,1096 16.822,1097 -0.719,1098 10.606,1099 12.019,1100 6.433,1101 21.548,1102 10.498,1103 3.649,1104 -0.717,1105 18.812,1106 -1.403,1107 11.795,1108 13.206,1109 6.93,1110 24.202,1111 11.693,1112 2.841,1113 14.705,1114 20.821,1115 -1.883,1116 13.079,1117 14.712,1118 7.922,1119 26.895,1120 12.97,1121 2.622,1122 8.714,1123 22.844,1124 4.153,1125 14.327,1126 15.995,1127 8.539,1128 29.574,1129 14.219,1130 2.285,1131 8.222,1132 24.877,1133 3.788,1134 15.608,1135 17.453,1136 9.444,1137 32.263,1138 15.495,1139 1.953,1140 6.975,1141 26.918,1142 3.276,1143 16.881,1144 18.791,1145 10.13,1146 34.948,1147 16.764,1148 1.816,1149 5.906,1150 28.966,1151 2.824,1152 18.166,1153 20.225,1154 10.985,1155 37.636,1156 18.043,1157 1.414,1158 5.25,1159 31.018,1160 2.501,1161 19.449,1162 21.594,1163 11.71,1164 40.324,1165 19.321,1166 6350,1167 10200,1168 18.087,1169 28.676,1170 41.522,1171 42.686,1172 42.716,1173 41.123,1174 41.163,1175 51.113,1176 8.951,1177 125.712,1178 39.865,1179 5.717,1180 5.956,1181 7.574,1182 5.733,1183 5.649,1184 7.153,1185 3.889,1186 22.9,1187 5.621,1188 10.413,1189 1.538,1190 1.581,1191 1.582,1192 1.523,1193 1.525,1194 1.893,1195 0.332,1196 4.656,1197 1.476,1198 4.056,1199 4.068,1200 4.007,1201 3.957,1202 7.435,1203 3.965,1204 3.924,1205 3.956,1206 3.862,1207 3.854,1208 4.963,1209 3.851,1210 3.661,1211 3.688,1212 3.578,1213 3.519,1214 4.759,1215 3.524,1216 3.368,1217 3.388,1218 3.316,1219 3.07,1220 4.617,1221 3.128,1222 3.169,1223 3.256,1224 2.965,1225 3.014,1226 4.256,1227 2.995,1228 3.108,1229 3.198,1230 2.897,1231 2.904,1232 3.95,1233 2.886,1234 2.979,1235 3.011,1236 2.863,1237 2.763,1238 3.897,1239 2.779,1240 2.804,1241 2.867,1242 2.671,1243 2.626,1244 3.868,1245 2.617,1246 0.176,1247 0.147,1248 0.292,1249 0.172,1250 0.135,1251 4.755,1252 0.154,1253 3.956,1254 0.081,1255 7.887,1256 0.545,1257 4.642,1258 0.134,1259 3.649,1260 4.153,1261 2.186,1262 14.705,1263 3.621,1264 1.917,1265 1.892,1266 2.036,1267 2.02,1268 1.31,1269 2.024,1270 1.891,1271 1.871,1272 1.998,1273 1.97,1274 1.135,1275 1.979,1276 1.584,1277 1.542,1278 1.792,1279 1.745,1280 0.97,1281 1.762,1282 1.306,1283 1.266,1284 1.589,1285 1.612,1286 0.787,1287 1.592,1288 1.213,1289 1.172,1290 1.553,1291 1.523,1292 0.604,1293 1.471,1294 1.183,1295 1.123,1296 1.317,1297 1.418,1298 0.386,1299 1.459,1300 0.906,1301 0.847,1302 1.244,1303 1.204,1304 0.27,1305 1.225,1306 0.796,1307 0.734,1308 1.078,1309 1.023,1310 0.148,1311 1.039,1312 4.007,1314 5.371,1315 3.045,1316 6.929,1317 5.533,1318 8.581,1319 7.735,1320 10.286,1322 4.053,1328 1.572,1329 2.765,1330 16.906,1332 -0.247,1334 -0.179,1340 27.622,1341 63.908,1342 151.973,1343 196.168,1344 215.82,1345 219.82,1346 219.82,1347 36.029,1348 7.444,1349 56.79,1350 56.79,1351 22,1352 12.697,1353 3.807,1354 3,1355 34.03,1356 86,1357 76,1358 0.195,1359 165.739,1360 293.7,1361 396.163,1362 17269,1364 16.734,1365 0.697,1366 0.569,1367 16.734,1368 13.666,1369 11.559,1370 0.428,1371 0.298,1372 7.91,1373 11.068,1374 7.678,1375 6.34,1376 11.559,1377 8.034,1378 10.975,1379 0.274,1380 0.162,1381 10.975,1382 6.475,1383 9.467,1384 0.172,1385 0.087,1386 9.467,1387 4.804,1388 8.053,1389 0.109,1390 0.045,1391 8.053,1392 3.298,1393 6.335,1394 0.071,1395 0.023,1396 6.335,1397 2.087,1398 0.305,1399 72.884,1400 0.235,1401 23.382,1402 0.532,1403 134,1404 403.275,1405 150.778,1406 376.111,1407 518.73,1408 354,1409 162,1410 388.072,1411 178.284,1412 387.293,1413 576.99,1414 364,1415 7.444}
{0 CHEMBL206237,1 1.446,2 11.154,3 4.673,4 21.837,5 97.424,6 7.213,7 0.414,8 3.997,9 4.097,10 3.544,11 3.528,12 5.047,13 3.512,14 4.574,15 4.721,16 3.966,17 3.952,18 5.653,19 3.919,20 4.819,21 4.995,22 3.983,23 4.095,24 5.809,25 4.029,26 4.919,27 5.145,28 3.804,29 4.023,30 5.887,31 3.917,32 4.752,33 4.992,34 3.662,35 3.792,36 5.779,37 3.698,38 4.484,39 4.708,40 3.473,41 3.547,42 5.502,43 3.484,44 4.253,45 4.44,46 3.49,47 3.487,48 5.41,49 3.447,50 4.375,51 4.572,52 3.443,53 3.499,54 5.591,55 3.447,56 0.02,57 0.652,58 10.518,59 4.954,60 7.872,61 6.16,62 0.446,63 1.079,64 20.848,65 8.512,66 39.751,67 10.888,68 0.228,69 1.359,70 27.08,71 10.798,72 31.59,73 13.976,74 0.404,75 1.414,76 32.121,77 11.49,78 51.287,79 15.364,80 0.419,81 1.172,82 27.722,83 9.448,84 53.477,85 12.867,86 0.454,87 0.895,88 21.412,89 6.771,90 41.351,91 8.988,92 0.297,93 0.787,94 15.681,95 5.366,96 32.344,97 7.25,98 0.446,99 0.823,100 18.675,101 5.965,102 56.219,103 7.771,104 18,105 43,106 0.246,107 0.584,108 0.746,109 0.829,110 0.836,111 0.836,112 3.304,113 0.928,114 -4.53,115 -4.46,116 -4.2,121 42.9,122 3,123 1,124 1,125 1,127 1,130 1,144 7,145 2,146 3,161 1,176 12,179 2,180 7,183 2,185 2,187 15,192 8,197 2,200 13,206 9,211 3,214 7,218 1,219 9,224 3,227 2,231 1,232 3,237 3,239 4,243 1,244 4,247 1,249 2,251 8,255 1,256 4,259 1,264 8,269 2,277 10,281 956,282 17.289,283 17.289,284 17.289,285 17.289,286 17.289,287 15.75,288 25.693,289 9.869,290 17.571,291 14.295,292 14.295,293 14.295,294 14.295,295 14.295,296 11.869,297 30.427,298 4.658,299 14.745,300 4.169,301 2.177,302 1.228,303 0.74,304 0.699,305 0.699,306 3.997,311 1,312 1,313 641,314 3.742,317 108.514,318 145.051,320 87.157,321 91.652,324 128.521,325 1.781,326 24.687,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 56.5,338 290,339 4.755,340 3.956,341 7.887,342 4.642,343 3.649,344 4.153,345 2.186,346 14.705,347 3.621,348 4.126,349 3.675,350 5.985,351 3.791,352 2.803,353 3.691,354 1.392,355 8.283,356 2.777,357 3.955,358 2.993,359 5.931,360 3.614,361 2.661,362 3.283,363 0.532,364 8.214,365 2.524,366 3.727,367 2.779,368 5.523,369 3.422,370 2.451,371 2.988,372 0.366,373 7.385,374 2.37,375 3.482,376 2.546,377 5.264,378 3.131,379 2.185,380 2.726,382 6.661,383 2.05,384 3.23,385 2.47,386 5.244,387 2.867,388 1.898,389 2.41,391 5.865,392 1.826,393 2.963,394 2.379,395 4.616,396 2.748,397 1.766,398 2.04,400 4.875,401 1.721,402 2.5,403 1.57,404 4.116,405 2.225,406 1.231,407 1.5,409 2.972,410 1.221,411 2.452,412 1.314,413 3.769,414 2.114,415 1.136,416 1.442,418 2.91,419 1.109,420 2.42,421 1.156,422 3.646,423 2.016,424 1.06,425 1.4,427 2.503,428 1.003,429 2.14,430 1,431 3.414,432 2,433 1,434 1.135,436 2.275,437 1,438 1.49,439 0.906,440 3.153,441 1.231,442 0.308,443 0.345,445 0.816,446 0.281,447 1.252,448 0.565,449 2.97,450 0.938,451 -0.017,452 -0.019,454 -0.043,455 -0.016,456 0.953,457 0.322,458 2.813,459 0.658,460 -0.315,461 -0.378,463 -0.805,464 -0.302,465 0.613,466 -0.218,467 2.415,468 0.267,469 -0.701,470 -0.771,472 -1.879,473 -0.664,474 12.233,475 0.471,476 0.805,477 0.031,478 31.75,479 1.221,480 15,481 0.577,482 16.75,483 0.644,484 22.833,485 0.878,486 28.567,487 0.583,488 22.533,489 0.867,490 5.842,491 0.225,492 6.611,493 0.254,494 0.15,495 0.041,496 0.327,501 0.801,502 1.223,503 0.79,504 1.142,505 0.684,506 0.988,507 0.762,508 0.955,509 0.788,510 0.932,511 0.517,512 0.88,513 1.044,514 1.21,515 1.039,516 1.188,517 0.791,518 1.125,519 1.163,520 1.07,521 1.08,522 1.058,523 0.884,524 1.055,525 1.065,526 1.032,527 0.934,528 0.994,529 1.385,530 0.948,531 1.438,532 0.885,533 1.011,534 0.779,535 1.599,536 0.809,537 0.953,538 1.089,539 0.956,540 0.995,541 1.317,542 0.96,543 1.447,544 0.873,545 1.145,546 0.871,547 2.515,548 0.927,549 7,550 0.092,551 3.778,552 2.549,553 1.218,554 0.851,555 0.501,556 0.315,557 0.268,558 0.217,559 8726,560 20194,561 2.092,562 46.9,563 10,564 9,565 1,567 1,569 2,572 1.685,573 1.938,574 3.417,575 -0.37,582 70.84,583 1.446,584 3.438,585 4.387,586 4.875,587 4.915,588 4.915,589 2.888,590 4.316,591 4.674,592 3.629,593 1179.34,594 8.066,595 14969.9,597 1,600 275.121,601 1.619,602 4.616,603 0.241,604 0.005,605 0.088,606 0.061,607 0.037,608 0.03,609 0.021,610 0.013,611 0.012,612 0.011,613 0.518,614 0.33,615 1,616 0.777,617 128.52,618 -0.023,619 -0.073,620 0.068,621 -0.05,622 -0.077,623 0.015,624 0.271,625 0.11,626 0.149,627 0.103,628 0.224,629 0.1,630 -0.086,631 -0.179,632 -0.098,633 -0.173,634 -0.029,635 -0.143,636 -0.116,637 -0.109,638 -0.085,639 -0.091,640 -0.008,641 -0.084,642 0.035,643 -0.088,644 0.085,645 -0.048,646 -0.006,647 0.016,648 -0.078,649 0.083,650 0.041,651 0.146,652 -0.142,653 0.119,654 0.125,655 0.015,656 0.021,657 -0.045,658 0.076,659 -0.028,660 -0.044,661 0.156,662 -0.107,663 0.055,664 -0.144,665 -0.018,666 2.175,667 5.219,668 0.692,669 22.598,670 1.003,671 1.12,672 3.302,673 10.901,674 0.657,675 3.401,676 3.784,677 4.078,678 4.357,679 4.543,680 4.635,681 4.787,682 4.828,683 4.812,684 4.905,685 6.702,686 0.626,687 353.45,688 3.401,689 4.977,690 5.849,691 6.758,692 7.652,693 8.567,694 9.472,695 10.392,696 11.305,697 12.229,698 2,705 1,715 7,720 5,722 12,737 1,739 1,741 49,743 13,744 2,745 29,747 52,748 21,749 12,750 5,751 7,756 4,757 7,763 3,764 1,766 1,767 1,770 1,772 13,773 8,774 1,777 1,782 1,786 1,790 1,793 23,794 5,795 1,796 5,802 1,808 0.5,809 4,815 1,828 2,829 2,831 1,832 1,835 1,858 1,859 2,864 3,868 26,876 2,877 1,878 3,880 2,882 1,893 8.2,896 1,897 1,898 2,901 13.417,902 9.667,903 5.514,904 3.069,907 2.201,908 1.289,909 0.959,910 4.412,911 9.816,912 3.611,913 4.19,914 4.705,915 5.24,916 5.731,917 5.896,918 6.213,919 6.411,920 6.447,921 6.716,922 1,923 42,924 9.655,926 4.192,927 0.026,929 7.689,931 18.592,933 15.751,936 2.189,937 56.917,939 1,940 1,941 258.964,942 126.673,943 18.011,945 58.145,948 126.673,949 317.109,950 18.011,951 26.476,952 25.138,953 66.693,954 36.145,955 41.615,956 18.534,957 247.193,959 258.964,960 144.684,961 58.145,964 235.422,965 70.687,966 11,967 0.36,968 51.613,969 92.711,972 258.964,973 76.155,974 126.673,977 259.324,978 33.504,979 92.809,980 18.011,981 58.145,982 258.964,983 76.155,984 126.673,986 0.599,987 0.351,988 0.183,989 0.094,990 23,991 10,992 0.077,993 4,994 2,995 1.222,996 3.829,997 222.143,998 0.222,999 18,1000 116.211,1005 17.379,1006 6.6,1007 3.228,1009 76.155,1010 13.24,1015 4.266,1017 18.011,1018 461.793,1019 36,1024 12.219,1028 -0.509,1031 49.131,1032 54.903,1034 0.257,1035 0.612,1036 0.781,1037 0.868,1038 0.875,1039 0.875,1040 4.898,1041 1.231,1042 5.889,1043 4.875,1044 4.466,1045 4.875,1046 2.637,1047 6.79,1048 4.409,1049 6.115,1050 1.136,1051 7.514,1052 2.972,1053 4.29,1054 4.758,1055 1.784,1056 8.12,1057 4.237,1058 7.446,1059 1.06,1060 9.257,1061 2.91,1062 6.188,1063 7,1064 3.7,1065 11.235,1066 6.096,1067 8.814,1068 1,1069 11.08,1070 2.503,1071 6.847,1072 7.635,1073 3.59,1074 13.493,1075 6.77,1076 10.217,1077 0.308,1078 12.959,1079 2.275,1080 8.292,1081 9.422,1082 5.007,1083 16.27,1084 8.191,1085 11.645,1086 -0.017,1087 14.882,1088 0.816,1089 9.317,1090 10.406,1091 5.289,1092 18.838,1093 9.229,1094 13.094,1095 -0.315,1096 16.839,1097 -0.043,1098 10.628,1099 12.002,1100 6.433,1101 21.545,1102 10.528,1103 3.649,1104 -0.701,1105 18.823,1106 -0.805,1107 11.808,1108 13.17,1109 6.93,1110 24.201,1111 11.713,1112 2.803,1113 14.705,1114 20.827,1115 -1.879,1116 13.088,1117 14.674,1118 7.922,1119 26.894,1120 12.986,1121 2.661,1122 8.283,1123 22.847,1124 4.153,1125 14.333,1126 15.945,1127 8.539,1128 29.573,1129 14.23,1130 2.451,1131 8.214,1132 24.878,1133 3.691,1134 15.611,1135 17.402,1136 9.444,1137 32.262,1138 15.503,1139 2.185,1140 7.385,1141 26.918,1142 3.283,1143 16.882,1144 18.733,1145 10.13,1146 34.948,1147 16.77,1148 1.898,1149 6.661,1150 28.965,1151 2.988,1152 18.166,1153 20.167,1154 10.985,1155 37.636,1156 18.047,1157 1.766,1158 5.865,1159 31.016,1160 2.726,1161 19.449,1162 21.534,1163 11.71,1164 40.324,1165 19.324,1166 8239,1167 12709,1168 19.186,1169 32.199,1170 44.707,1171 45.904,1172 45.935,1173 44.266,1174 44.298,1175 54.224,1176 8.951,1177 134.928,1178 43.006,1179 5.717,1180 5.956,1181 7.328,1182 5.734,1183 5.649,1184 7.153,1185 3.889,1186 22.9,1187 5.621,1188 13.239,1189 1.542,1190 1.583,1191 1.584,1192 1.526,1193 1.528,1194 1.87,1195 0.309,1196 4.653,1197 1.483,1198 4.057,1199 4.071,1200 4.008,1201 3.959,1202 7.435,1203 3.967,1204 3.945,1205 3.977,1206 3.88,1207 3.879,1208 4.963,1209 3.874,1210 3.667,1211 3.694,1212 3.585,1213 3.52,1214 4.754,1215 3.526,1216 3.536,1217 3.6,1218 3.41,1219 3.388,1220 4.617,1221 3.377,1222 3.312,1223 3.333,1224 3.216,1225 3.017,1226 4.261,1227 3.076,1228 3.107,1229 3.197,1230 2.891,1231 2.9,1232 4.15,1233 2.884,1234 2.968,1235 3.009,1236 2.855,1237 2.737,1238 3.905,1239 2.758,1240 2.874,1241 3,1242 2.687,1243 2.735,1244 3.841,1245 2.715,1246 0.164,1247 0.136,1248 0.272,1249 0.16,1250 0.126,1251 4.755,1252 0.143,1253 3.956,1254 0.075,1255 7.887,1256 0.507,1257 4.642,1258 0.125,1259 3.649,1260 4.153,1261 2.186,1262 14.705,1263 3.621,1264 1.939,1265 1.911,1266 2.069,1267 2.036,1268 1.31,1269 2.046,1270 1.894,1271 1.877,1272 1.999,1273 1.976,1274 1.252,1275 1.983,1276 1.586,1277 1.543,1278 1.803,1279 1.758,1280 0.971,1281 1.773,1282 1.538,1283 1.474,1284 1.787,1285 1.719,1286 0.909,1287 1.744,1288 1.306,1289 1.266,1290 1.589,1291 1.61,1292 0.787,1293 1.592,1294 1.144,1295 1.127,1296 1.417,1297 1.473,1298 0.469,1299 1.417,1300 0.934,1301 0.828,1302 1.277,1303 1.239,1304 0.386,1305 1.308,1306 0.897,1307 0.821,1308 1.238,1309 1.201,1310 0.228,1311 1.223,1312 4.078,1314 5.442,1315 3.045,1316 6.995,1317 5.533,1318 8.637,1319 7.735,1320 10.334,1322 6.389,1328 1.571,1329 2.763,1330 16.956,1332 0.204,1334 -0.183,1340 30.675,1341 70.84,1342 168.46,1343 214.94,1344 238.856,1345 240.856,1346 240.856,1347 42.014,1348 7.615,1349 56.79,1350 56.79,1351 22,1352 12.737,1353 3.807,1354 3,1355 38.367,1356 106,1357 102,1358 0.178,1359 184.924,1360 328.3,1361 442.973,1362 21741,1364 18.311,1365 0.704,1366 0.586,1367 18.311,1368 15.243,1369 12.453,1370 0.429,1371 0.309,1372 8.847,1373 11.96,1374 8.545,1375 7.098,1376 12.453,1377 8.972,1378 11.978,1379 0.279,1380 0.173,1381 11.978,1382 7.437,1383 10.043,1384 0.173,1385 0.09,1386 10.043,1387 5.245,1388 8.453,1389 0.11,1390 0.046,1391 8.453,1392 3.544,1393 6.513,1394 0.07,1395 0.024,1396 6.513,1397 2.228,1398 0.284,1399 78.247,1400 0.228,1401 25.33,1402 0.472,1403 144,1404 413.275,1405 160.778,1406 386.951,1407 534.53,1408 364,1409 173,1410 401.072,1411 189.117,1412 401.098,1413 596.72,1414 377,1415 5.174}
{0 CHEMBL2064404,1 1.363,2 14.394,3 3.872,4 14.995,5 135.842,6 6.246,7 0.297,8 4.348,9 4.494,10 3.779,11 3.856,12 5.201,13 3.802,14 4.981,15 5.202,16 4.119,17 4.295,18 5.765,19 4.204,20 5.304,21 5.572,22 4.191,23 4.48,24 6.042,25 4.348,26 5.333,27 5.604,28 4.096,29 4.461,30 6.099,31 4.301,32 5.312,33 5.602,34 4.021,35 4.398,36 6.03,37 4.231,38 5.253,39 5.541,40 3.956,41 4.335,42 5.973,43 4.173,44 5.19,45 5.47,46 3.901,47 4.298,48 5.913,49 4.133,50 5.167,51 5.447,52 3.847,53 4.295,54 5.834,55 4.112,56 0.08,57 1.088,58 17.954,59 6.737,60 7.919,61 10.189,62 0.323,63 1.821,64 34.108,65 11.092,66 20.825,67 17.613,68 0.461,69 2.258,70 46.613,71 15.383,72 33.905,73 23.968,74 0.519,75 2.22,76 47.854,77 16.328,78 45.75,79 24.897,80 0.461,81 2.116,82 46.573,83 15.482,84 40.86,85 24.09,86 0.447,87 2.003,88 44.119,89 14.263,90 37.743,91 22.302,92 0.443,93 1.891,94 41.415,95 13.97,96 38.119,97 21.33,98 0.358,99 1.853,100 39.905,101 14.369,102 33.605,103 21.811,104 2,105 50,106 0.214,107 0.455,108 0.645,109 0.818,110 0.843,111 0.843,112 3.531,113 1.066,114 -3.75,115 -3.71,116 -3.53,121 37.5,123 8,127 9,144 4,145 2,146 1,148 2,160 1,176 10,179 1,180 9,185 2,187 10,191 1,192 5,195 1,197 2,200 6,205 2,206 2,209 1,211 4,214 8,218 1,219 3,224 2,227 9,232 6,235 1,239 6,243 2,244 6,251 2,256 4,259 1,261 1,269 4,281 1942,282 23.051,283 23.051,284 23.051,285 23.051,286 23.051,287 21.634,288 28.692,289 13.96,290 23.485,291 18.313,292 18.313,293 18.313,294 18.313,295 18.313,296 16.017,297 34.364,298 6.658,299 18.993,300 4.807,301 3.276,302 2.063,303 0.965,304 0.806,305 0.806,306 4.247,312 1,313 1061,314 3.464,318 470.24,322 277.424,325 2.455,326 20.987,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 69.5,338 475,339 4.64,340 3.72,341 6.829,342 4.207,343 3.226,344 4.564,345 1.94,346 11.348,347 3.162,348 3.965,349 3.361,350 6.031,351 3.782,352 2.829,353 3.437,354 0.8,355 8.597,356 2.695,357 3.914,358 2.862,359 5.982,360 3.524,361 2.532,362 3.114,363 0.8,364 8.37,365 2.512,366 3.54,367 2.811,368 5.386,369 3.448,370 2.521,371 2.893,372 0.555,373 6.992,374 2.337,375 3.51,376 2.668,377 5.347,378 3.318,379 2.383,380 2.524,381 0.4,382 6.84,383 2.223,384 3.424,385 2.349,386 5.298,387 3.114,388 2.161,389 2.445,391 6.69,392 2.058,393 2.938,394 2.183,395 4.191,396 2.584,397 1.604,398 2.142,400 3.881,401 1.565,402 2.689,403 1.684,404 4.116,405 2.516,406 1.53,407 1.689,409 3.379,410 1.507,411 2.602,412 1.58,413 3.929,414 2.387,415 1.404,416 1.621,418 3.329,419 1.373,420 2.491,421 1.468,422 3.616,423 2.345,424 1.347,425 1.49,427 3.06,428 1.343,429 2.472,430 1.389,431 3.594,432 2.242,433 1.247,434 1.454,436 2.902,437 1.24,438 2.287,439 1.35,440 3.593,441 2.18,442 1.225,443 1.272,445 2.836,446 1.164,447 2,448 1.146,449 3.414,450 1.984,451 1,452 1,454 2.275,455 0.983,456 2,457 1.077,458 3.269,459 1.967,460 1,461 1,463 2.136,464 0.965,465 1.859,466 1.051,467 3.247,468 1.68,469 0.702,470 0.787,472 1.691,473 0.685,474 15.833,475 0.48,476 0.568,477 0.017,478 34,479 1.03,480 12,481 0.364,482 22,483 0.667,484 36.467,485 1.105,486 37.567,487 0.522,488 23.01,489 0.697,490 5.955,491 0.18,492 10.321,493 0.313,494 0.021,496 0.265,501 0.825,502 1.579,503 0.956,504 1.273,505 0.534,506 1.146,507 1.126,508 1.221,509 1.076,510 1.061,511 0.601,512 1.051,513 1.139,514 0.985,515 1.022,516 0.958,517 0.929,518 0.97,519 1.157,520 1.056,521 1.08,522 1.069,523 1.433,524 1.074,525 1.08,526 1.002,527 0.983,528 0.968,529 1.196,530 0.967,531 1.265,532 0.962,533 1.049,534 0.957,535 1.285,536 0.977,537 1.279,538 0.946,539 1.083,540 0.988,541 1.473,542 1.017,543 0.867,544 1.077,545 1.034,546 1.089,547 0.936,548 1.085,549 4.5,550 0.165,551 3.333,552 1.625,553 1.533,554 0.826,555 0.544,556 0.302,557 0.172,558 0.159,559 18789,560 33643,561 2.187,562 54.2,563 8,564 22,567 1,568 4,569 4,572 1.746,573 2.129,574 3.735,575 -0.412,582 98.112,583 1.363,584 2.894,585 4.107,586 5.205,587 5.364,588 5.364,589 3.16,590 4.317,591 5.017,592 3.997,593 2110.16,594 8.751,595 33619.5,600 444.235,601 1.027,602 5.01,603 0.122,604 0.007,605 0.067,606 0.031,607 0.034,608 0.02,609 0.014,610 0.008,611 0.005,612 0.005,613 0.312,614 0.5,615 0.88,616 0.306,617 179.236,618 0.039,619 -0.254,620 0.086,621 -0.072,622 0.052,623 -0.003,624 -0.036,625 -0.026,626 -0.035,627 -0.015,628 0.034,629 -0.021,630 -0.045,631 0.072,632 -0.009,633 0.031,634 -0.004,635 0.018,636 0.01,637 -0.049,638 -0.075,639 -0.074,640 -0.051,641 -0.085,642 -0.004,643 -0.031,644 0.009,645 0.001,646 -0.042,647 0.005,648 -0.088,649 0.026,650 -0.044,651 -0.001,652 -0.092,653 -0.015,654 -0.079,655 0.044,656 -0.078,657 -0.011,658 -0.12,659 -0.041,660 0.011,661 -0.1,662 -0.063,663 -0.077,664 -0.01,665 -0.08,666 1.326,667 5.67,668 0.788,669 38.138,670 0.984,671 1.136,672 2.519,673 6.348,674 0.631,675 3.638,676 3.932,677 4.22,678 4.477,679 4.745,680 4.779,681 4.905,682 5.004,683 5.106,684 5.106,685 8.59,686 0.58,687 449.71,688 3.638,689 5.165,690 6.014,691 6.878,692 7.744,693 8.617,694 9.49,695 10.368,696 11.246,697 12.128,698 6.9,701 2,703 1,705 1,708 1,714 2,715 4,716 1,720 3,722 11,734 1,741 72,743 12,744 1,745 37,747 76,748 27,749 9,750 2,751 4,756 5,757 8,767 7,770 8,772 10,773 17,777 1,782 1,786 1,793 39,794 6,795 1,796 6,802 5,808 0.6,809 1,822 1,829 5,833 2,844 1,855 2,859 3,868 33,876 17,877 1,881 3,893 1.4,896 1,901 15.5,902 12.55,903 7.306,904 5.054,907 2.426,908 1.292,909 0.996,910 7.679,911 10.734,912 3.795,913 4.297,914 4.84,915 5.39,916 5.962,917 6.266,918 6.631,919 6.967,920 7.267,921 7.141,922 1,923 52,924 12.357,926 5.246,927 0.026,929 7.379,931 25.066,933 21.586,936 1.879,937 62,941 447.302,942 95.253,943 44.169,945 25.145,948 95.253,949 472.447,950 44.169,952 42.352,953 37.905,954 64.646,955 19.665,957 447.302,959 447.302,960 139.423,961 25.145,964 400.217,965 72.229,968 53.501,969 51.125,970 34.796,972 447.302,973 69.314,974 95.253,977 447.302,978 57.348,979 47.278,980 18.011,981 41.93,982 447.302,983 69.314,984 95.253,986 0.57,987 0.336,988 0.186,989 0.105,990 24,991 9,992 0.092,993 7,994 2,995 1.154,996 4.64,997 299.442,998 0.154,999 26,1000 155.71,1005 22.924,1006 11.054,1007 5.631,1008 2.361,1009 69.314,1010 8.54,1011 4.953,1015 4.032,1017 18.011,1018 611.869,1019 43.5,1024 12.67,1028 0.341,1031 70.858,1032 81.759,1034 0.221,1035 0.469,1036 0.666,1037 0.844,1038 0.869,1039 0.869,1040 5.042,1041 1.53,1042 5.964,1043 3.881,1044 4.615,1045 4.984,1046 2.295,1047 6.744,1048 4.545,1049 6.178,1050 1.404,1051 7.495,1052 3.379,1053 4.007,1054 4.718,1055 1.803,1056 7.591,1057 3.888,1058 7.456,1059 1.347,1060 9.132,1061 3.329,1062 6.168,1063 7.09,1064 3.016,1065 10.717,1066 6.025,1067 8.77,1068 1.247,1069 10.835,1070 3.06,1071 6.447,1072 7.777,1073 3.157,1074 12.464,1075 6.268,1076 10.129,1077 1.225,1078 12.584,1079 2.902,1080 8.01,1081 9.62,1082 4.14,1083 15.098,1084 7.808,1085 11.517,1086 1,1087 14.364,1088 2.836,1089 8.724,1090 10.754,1091 4.543,1092 17.221,1093 8.498,1094 12.93,1095 1,1096 16.167,1097 2.275,1098 10.031,1099 12.396,1100 5.383,1101 19.703,1102 9.784,1103 3.226,1104 0.702,1105 17.987,1106 2.136,1107 10.964,1108 13.74,1109 5.912,1110 21.994,1111 10.701,1112 2.829,1113 11.348,1114 19.821,1115 1.691,1116 12.165,1117 15.305,1118 6.67,1119 24.432,1120 11.883,1121 2.532,1122 8.597,1123 21.667,1124 4.564,1125 13.209,1126 16.744,1127 7.263,1128 26.796,1129 12.913,1130 2.521,1131 8.37,1132 23.522,1133 3.437,1134 14.371,1135 18.279,1136 7.976,1137 29.223,1138 14.058,1139 2.383,1140 6.992,1141 25.386,1142 3.114,1143 15.471,1144 19.761,1145 8.602,1146 31.621,1147 15.144,1148 2.161,1149 6.84,1150 27.256,1151 2.893,1152 16.623,1153 21.285,1154 9.292,1155 34.046,1156 16.28,1157 1.604,1158 6.69,1159 29.133,1160 2.524,1161 17.751,1162 22.786,1163 9.936,1164 36.46,1165 17.394,1166 17207,1167 23170,1168 25.83,1169 45.427,1170 54.705,1171 55.584,1172 55.399,1173 54.633,1174 54.575,1175 64.144,1176 8.992,1177 151.308,1178 52.756,1179 5.64,1180 5.72,1181 6.631,1182 5.274,1183 5.226,1184 7.564,1185 3.348,1186 18.879,1187 5.162,1188 7.679,1189 1.479,1190 1.502,1191 1.497,1192 1.477,1193 1.475,1194 1.734,1195 0.243,1196 4.089,1197 1.426,1198 4.116,1199 4.148,1200 4.075,1201 4.041,1202 7.427,1203 4.046,1204 3.906,1205 3.972,1206 3.799,1207 3.726,1208 4.973,1209 3.731,1210 3.818,1211 3.892,1212 3.687,1213 3.651,1214 4.42,1215 3.641,1216 3.732,1217 3.781,1218 3.617,1219 3.632,1220 4.372,1221 3.633,1222 3.575,1223 3.64,1224 3.452,1225 3.386,1226 4.316,1227 3.39,1228 3.427,1229 3.505,1230 3.272,1231 3.251,1232 4.167,1233 3.245,1234 3.223,1235 3.289,1236 3.085,1237 3.085,1238 3.975,1239 3.075,1240 3.132,1241 3.211,1242 2.999,1243 2.961,1244 3.832,1245 2.955,1246 0.125,1247 0.101,1248 0.185,1249 0.114,1250 0.087,1251 4.64,1252 0.123,1253 3.72,1254 0.052,1255 6.829,1256 0.307,1257 4.207,1258 0.085,1259 3.226,1260 4.564,1261 1.94,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.158,1267 2.163,1268 1.435,1269 2.163,1270 1.845,1271 1.78,1272 2.063,1273 2.05,1274 1.415,1275 2.054,1276 1.786,1277 1.717,1278 1.994,1279 2.001,1280 1.318,1281 2.009,1282 1.754,1283 1.708,1284 1.949,1285 1.872,1286 1.153,1287 1.902,1288 1.541,1289 1.478,1290 1.782,1291 1.762,1292 1.074,1293 1.77,1294 1.419,1295 1.344,1296 1.696,1297 1.639,1298 0.978,1299 1.664,1300 1.221,1301 1.162,1302 1.513,1303 1.396,1304 0.825,1305 1.429,1306 1.153,1307 1.064,1308 1.513,1309 1.376,1310 0.825,1311 1.429,1312 4.317,1314 5.617,1316 7.127,1318 8.734,1320 10.394,1328 18.273,1329 3.786,1333 7.044,1340 41.777,1341 98.112,1342 208.367,1343 295.692,1344 374.725,1345 386.235,1346 386.235,1347 51.181,1348 8.308,1349 51.71,1350 51.71,1351 30,1352 12.664,1353 3.7,1354 2.907,1355 48.238,1356 174,1357 173,1358 0.133,1359 253.2,1360 440.01,1361 609.568,1362 60008,1364 22.46,1365 0.681,1366 0.607,1367 22.46,1368 20.027,1369 16.276,1370 0.44,1371 0.355,1372 13.005,1373 15.767,1374 12.78,1375 10.48,1376 16.276,1377 13.146,1378 14.087,1379 0.282,1380 0.199,1381 14.087,1382 9.938,1383 12.242,1384 0.183,1385 0.115,1386 12.242,1387 7.715,1388 10.218,1389 0.117,1390 0.066,1391 10.218,1392 5.729,1393 8.675,1394 0.076,1395 0.038,1396 8.675,1397 4.302,1398 0.217,1399 100.895,1400 0.197,1401 31.453,1402 0.342,1403 174,1404 380.649,1405 186.567,1406 369.959,1407 518.77,1408 352,1409 204,1410 386.186,1411 218.067,1412 389.398,1413 575.95,1414 371,1415 7.287}
{0 CHEMBL2064464,1 1.339,2 15.2,3 4.814,4 23.17,5 144.714,6 6.125,7 0.282,8 4.42,9 4.567,10 3.831,11 3.928,12 5.265,13 3.868,14 5.056,15 5.28,16 4.175,17 4.37,18 5.821,19 4.273,20 5.386,21 5.653,22 4.265,23 4.567,24 6.112,25 4.43,26 5.446,27 5.72,28 4.184,29 4.571,30 6.194,31 4.404,32 5.453,33 5.75,34 4.098,35 4.523,36 6.147,37 4.342,38 5.392,39 5.69,40 4.015,41 4.45,42 6.075,43 4.269,44 5.304,45 5.594,46 3.981,47 4.381,48 6.02,49 4.21,50 5.247,51 5.525,52 3.951,53 4.364,54 5.959,55 4.191,56 0.092,57 1.165,58 19.631,59 7.407,60 9.466,61 11.211,62 0.338,63 1.95,64 36.927,65 12.233,66 22.096,67 19.365,68 0.478,69 2.45,70 50.486,71 16.897,72 35.745,73 26.319,74 0.557,75 2.479,76 53.358,77 18.279,78 49.084,79 27.995,80 0.506,81 2.4,82 53.107,83 17.926,84 47.346,85 27.875,86 0.478,87 2.247,88 50.037,89 16.611,90 40.877,91 25.878,92 0.476,93 2.069,94 46.033,95 15.499,96 41.661,97 23.758,98 0.416,99 1.992,100 43.364,101 15.142,102 40.676,103 23.098,104 5,105 53,106 0.207,107 0.454,108 0.666,109 0.814,110 0.847,111 0.847,112 3.588,113 1.08,114 -4.14,115 -4.09,116 -3.87,121 37.2,123 10,126 1,127 7,129 1,144 4,145 2,146 1,148 2,160 1,176 12,179 1,180 9,185 2,187 13,191 1,192 6,195 1,197 2,200 8,205 2,206 3,209 1,211 4,214 8,218 1,219 3,224 2,227 10,232 6,235 1,239 7,243 2,244 8,251 2,256 6,259 1,261 1,269 4,281 2304,282 24.258,283 24.258,284 24.258,285 24.258,286 24.258,287 22.841,288 28.692,289 14.6,290 24.686,291 19.275,292 19.275,293 19.275,294 19.275,295 19.275,296 16.978,297 36.864,298 6.932,299 19.941,300 4.946,301 3.352,302 1.979,303 1.023,304 0.805,305 0.805,306 4.3,312 1,313 1181,314 3.873,318 516.602,322 305.801,325 2.571,326 21.682,329 1,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.98,337 73.5,338 532,339 4.64,340 3.72,341 6.829,342 4.207,343 3.226,344 4.564,345 1.94,346 11.348,347 3.162,348 3.97,349 3.361,350 6.052,351 3.8,352 2.847,353 3.437,354 0.8,355 8.654,356 2.712,357 3.914,358 3.021,359 5.994,360 3.701,361 2.755,362 3.116,363 0.8,364 8.473,365 2.609,366 3.769,367 2.853,368 5.982,369 3.524,370 2.532,371 2.893,372 0.555,373 8.37,374 2.512,375 3.532,376 2.668,377 5.385,378 3.34,379 2.402,380 2.772,381 0.4,382 6.875,383 2.245,384 3.441,385 2.35,386 5.309,387 3.115,388 2.162,389 2.468,391 6.692,392 2.059,393 2.938,394 2.186,395 4.379,396 2.808,397 1.841,398 2.142,400 4.405,401 1.775,402 2.844,403 1.934,404 4.116,405 2.524,406 1.541,407 1.844,409 3.64,410 1.513,411 2.654,412 1.684,413 4.092,414 2.48,415 1.493,416 1.669,418 3.368,419 1.465,420 2.589,421 1.468,422 3.927,423 2.345,424 1.347,425 1.58,427 3.329,428 1.343,429 2.489,430 1.389,431 3.604,432 2.242,433 1.261,434 1.488,436 2.902,437 1.24,438 2.296,439 1.35,440 3.594,441 2.217,442 1.247,443 1.289,445 2.858,446 1.203,447 2.147,448 1.31,449 3.466,450 2.051,451 1.07,452 1.114,454 2.541,455 1.043,456 2,457 1.146,458 3.414,459 2,460 1,461 1,463 2.275,464 1,465 2,466 1,467 3.262,468 1.967,469 1,470 1,472 2.136,473 0.965,474 16.833,475 0.481,476 0.657,477 0.019,478 35,479 1,480 12,481 0.343,482 23,483 0.657,484 41.18,485 1.177,486 40.167,487 0.515,488 24.016,489 0.686,490 5.968,491 0.171,492 11.219,493 0.321,494 0.05,496 0.279,501 0.829,502 1.576,503 0.984,504 1.287,505 0.557,506 1.168,507 1.118,508 1.216,509 1.074,510 1.064,511 0.598,512 1.053,513 1.14,514 1.019,515 1.031,516 0.984,517 0.922,518 0.99,519 1.169,520 1.074,521 1.094,522 1.079,523 1.39,524 1.084,525 1.054,526 0.988,527 0.985,528 0.966,529 1.113,530 0.969,531 1.18,532 0.949,533 1.019,534 0.953,535 1.196,536 0.968,537 1.286,538 0.934,539 1.026,540 0.954,541 1.534,542 0.969,543 1.15,544 1.065,545 1.051,546 1.05,547 1.39,548 1.05,549 5,550 0.206,551 4,552 2,553 1.573,554 0.889,555 0.686,556 0.399,557 0.18,558 0.179,559 22123,560 38237,561 2.158,562 55.1,563 12,564 22,567 1,568 4,569 4,572 1.761,573 2.079,574 3.81,575 -0.43,582 104.441,583 1.339,584 2.933,585 4.306,586 5.263,587 5.481,588 5.481,589 3.167,590 4.479,591 5.103,592 4.078,593 2426.63,594 8.919,595 40867,600 490.261,601 1.15,602 5.086,603 0.128,604 0.008,605 0.075,606 0.036,607 0.032,608 0.02,609 0.017,610 0.01,611 0.005,612 0.005,613 0.335,614 0.5,615 0.75,616 0.383,617 194.234,618 0.046,619 -0.239,620 0.083,621 -0.067,622 0.047,623 -0.002,624 -0.022,625 -0.017,626 -0.019,627 -0.005,628 0.042,629 -0.009,630 -0.035,631 0.051,632 -0.01,633 0.016,634 0.001,635 0.008,636 0.005,637 -0.057,638 -0.083,639 -0.083,640 -0.05,641 -0.092,642 -0.003,643 -0.022,644 0.003,646 -0.02,647 0.002,648 -0.06,649 0.019,650 -0.024,651 0.001,652 -0.07,653 -0.006,654 -0.041,655 0.04,656 -0.02,657 0.012,658 -0.094,659 -0.002,660 -0.021,661 -0.076,662 -0.053,663 -0.049,664 -0.047,665 -0.056,666 1.333,667 5.814,668 0.743,669 42.052,670 0.982,671 1.136,672 2.913,673 8.487,674 0.628,675 3.689,676 3.989,677 4.277,678 4.522,679 4.779,680 4.812,681 4.934,682 5.017,683 5.118,684 5.13,685 9.104,686 0.575,687 477.77,688 3.689,689 5.22,690 6.071,691 6.936,692 7.803,693 8.675,694 9.548,695 10.426,696 11.303,697 12.184,698 6.4,701 2,703 1,705 1,708 1,714 2,715 4,716 1,720 3,722 11,734 1,741 78,743 12,744 1,745 39,747 82,748 29,749 9,750 2,751 4,756 5,757 8,767 10,770 11,772 10,773 19,777 1,782 1,786 1,793 43,794 6,795 1,796 6,802 5,808 0.6,809 1,822 1,829 5,833 2,844 1,855 2,859 3,864 1,868 35,876 17,877 1,880 1,881 3,893 1.3,896 1,901 16.833,902 13.883,903 7.75,904 5.454,907 2.417,908 1.288,909 0.982,910 8.463,911 10.808,912 3.839,913 4.337,914 4.871,915 5.408,916 5.972,917 6.273,918 6.636,919 6.969,920 7.268,921 7.145,922 0.9,923 56,924 13.11,926 5.547,927 0.026,929 7.367,931 26.639,933 22.958,936 1.867,937 65.333,941 494.386,942 104.507,943 44.169,945 25.145,948 104.507,949 519.531,950 44.169,951 8.396,952 43.21,953 37.905,954 64.646,955 19.665,957 494.386,959 494.386,960 148.677,961 25.145,964 447.302,965 72.229,968 54.359,969 59.521,970 34.796,972 494.386,973 69.314,974 104.507,977 494.386,978 58.206,979 55.674,980 18.011,981 41.93,982 494.386,983 69.314,984 104.507,986 0.573,987 0.34,988 0.185,989 0.103,990 25,991 10,992 0.098,993 8,994 2,995 1.154,996 4.779,997 322.567,998 0.154,999 26,1000 171.525,1005 24.833,1006 11.927,1007 6.114,1008 2.36,1009 69.314,1010 8.547,1011 4.961,1015 4.031,1017 18.011,1018 668.208,1019 45.5,1024 12.814,1028 0.334,1031 76.625,1032 88.59,1034 0.213,1035 0.467,1036 0.685,1037 0.837,1038 0.872,1039 0.872,1040 5.092,1041 1.541,1042 6.028,1043 4.405,1044 4.673,1045 5.024,1046 2.295,1047 6.817,1048 4.607,1049 6.231,1050 1.493,1051 7.569,1052 3.64,1053 4.111,1054 4.771,1055 1.803,1056 7.687,1057 3.993,1058 7.51,1059 1.347,1060 9.215,1061 3.368,1062 6.236,1063 7.118,1064 3.016,1065 10.805,1066 6.101,1067 8.825,1068 1.261,1069 10.927,1070 3.329,1071 6.553,1072 7.806,1073 3.157,1074 12.555,1075 6.372,1076 10.183,1077 1.247,1078 12.682,1079 2.902,1080 8.092,1081 9.637,1082 4.14,1083 15.181,1084 7.894,1085 11.57,1086 1.07,1087 14.466,1088 2.858,1089 8.827,1090 10.768,1091 4.543,1092 17.295,1093 8.596,1094 12.981,1095 1,1096 16.272,1097 2.541,1098 10.121,1099 12.405,1100 5.383,1101 19.768,1102 9.872,1103 3.226,1104 1,1105 18.094,1106 2.275,1107 11.063,1108 13.747,1109 5.912,1110 22.047,1111 10.788,1112 2.847,1113 11.348,1114 19.928,1115 2.136,1116 12.256,1117 15.309,1118 6.67,1119 24.476,1120 11.963,1121 2.755,1122 8.654,1123 21.772,1124 4.564,1125 13.3,1126 16.747,1127 7.263,1128 26.831,1129 12.988,1130 2.532,1131 8.473,1132 23.624,1133 3.437,1134 14.455,1135 18.281,1136 7.976,1137 29.251,1138 14.126,1139 2.402,1140 8.37,1141 25.484,1142 3.116,1143 15.551,1144 19.762,1145 8.602,1146 31.643,1147 15.205,1148 2.162,1149 6.875,1150 27.35,1151 2.893,1152 16.696,1153 21.286,1154 9.292,1155 34.063,1156 16.334,1157 1.841,1158 6.692,1159 29.221,1160 2.772,1161 17.82,1162 22.787,1163 9.936,1164 36.473,1165 17.441,1166 20367,1167 26960,1168 26.929,1169 48.95,1170 57.814,1171 58.776,1172 58.823,1173 57.733,1174 57.663,1175 67.226,1176 8.992,1177 160.951,1178 55.85,1179 5.64,1180 5.72,1181 6.631,1182 5.274,1183 5.226,1184 7.564,1185 3.348,1186 18.879,1187 5.162,1188 11.418,1189 1.482,1190 1.507,1191 1.508,1192 1.48,1193 1.479,1194 1.724,1195 0.231,1196 4.127,1197 1.432,1198 4.117,1199 4.149,1200 4.075,1201 4.042,1202 7.427,1203 4.046,1204 3.922,1205 3.984,1206 3.809,1207 3.776,1208 4.973,1209 3.77,1210 3.843,1211 3.912,1212 3.721,1213 3.659,1214 4.421,1215 3.667,1216 3.732,1217 3.781,1218 3.617,1219 3.646,1220 4.383,1221 3.635,1222 3.617,1223 3.685,1224 3.487,1225 3.43,1226 4.336,1227 3.433,1228 3.473,1229 3.559,1230 3.318,1231 3.276,1232 4.168,1233 3.275,1234 3.298,1235 3.368,1236 3.167,1237 3.112,1238 4.045,1239 3.112,1240 3.198,1241 3.266,1242 3.057,1243 3.032,1244 3.975,1245 3.025,1246 0.119,1247 0.095,1248 0.175,1249 0.108,1250 0.083,1251 4.64,1252 0.117,1253 3.72,1254 0.05,1255 6.829,1256 0.291,1257 4.207,1258 0.081,1259 3.226,1260 4.564,1261 1.94,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.158,1267 2.163,1268 1.49,1269 2.163,1270 1.886,1271 1.828,1272 2.103,1273 2.057,1274 1.435,1275 2.072,1276 1.798,1277 1.731,1278 1.999,1279 2.018,1280 1.32,1281 2.021,1282 1.754,1283 1.709,1284 1.949,1285 1.872,1286 1.154,1287 1.902,1288 1.589,1289 1.523,1290 1.834,1291 1.808,1292 1.118,1293 1.821,1294 1.451,1295 1.371,1296 1.718,1297 1.69,1298 0.986,1299 1.706,1300 1.265,1301 1.197,1302 1.566,1303 1.51,1304 0.825,1305 1.526,1306 1.201,1307 1.132,1308 1.513,1309 1.376,1310 0.825,1311 1.429,1312 4.369,1314 5.673,1316 7.186,1318 8.794,1320 10.454,1322 2.206,1328 18.584,1329 3.793,1332 0.684,1333 7.02,1340 44.831,1341 104.441,1342 228.782,1343 335.881,1344 410.487,1345 427.506,1346 427.506,1347 58.099,1348 8.391,1349 51.71,1350 51.71,1351 30,1352 12.72,1353 3.7,1354 2.907,1355 52.675,1356 196,1357 187,1358 0.128,1359 272.385,1360 474.61,1361 656.379,1362 67402,1364 24.037,1365 0.687,1366 0.617,1367 24.037,1368 21.605,1369 17.187,1370 0.441,1371 0.36,1372 13.892,1373 16.675,1374 13.597,1375 11.196,1376 17.187,1377 14.036,1378 14.958,1379 0.282,1380 0.204,1381 14.958,1382 10.808,1383 13.019,1384 0.183,1385 0.12,1386 13.019,1387 8.501,1388 10.708,1389 0.118,1390 0.069,1391 10.708,1392 6.269,1393 9.015,1394 0.076,1395 0.04,1396 9.015,1397 4.689,1398 0.211,1399 106.407,1400 0.193,1401 33.071,1402 0.328,1403 184,1404 390.649,1405 196.567,1406 380.977,1407 534.15,1408 362,1409 216,1410 398.186,1411 230.067,1412 403.267,1413 594.49,1414 383,1415 9.459}
{0 CHEMBL2064465,1 1.328,2 15.25,3 5.162,4 26.649,5 149.462,6 6.072,7 0.275,8 4.454,9 4.602,10 3.856,11 3.962,12 5.291,13 3.899,14 5.092,15 5.316,16 4.197,17 4.4,18 5.851,19 4.3,20 5.425,21 5.697,22 4.295,23 4.596,24 6.137,25 4.46,26 5.472,27 5.739,28 4.235,29 4.62,30 6.216,31 4.457,32 5.523,33 5.818,34 4.163,35 4.607,36 6.201,37 4.422,38 5.499,39 5.803,40 4.092,41 4.542,42 6.171,43 4.352,44 5.402,45 5.697,46 4.034,47 4.452,48 6.124,49 4.277,50 5.305,51 5.582,52 4.001,53 4.43,54 6.007,55 4.254,56 0.097,57 1.203,58 20.461,59 7.742,60 9.618,61 11.72,62 0.342,63 2.014,64 38.329,65 12.748,66 23.204,67 20.199,68 0.507,69 2.531,70 52.468,71 17.324,72 36.653,73 27.173,74 0.557,75 2.577,76 54.758,77 19.023,78 48.069,79 29.028,80 0.518,81 2.586,82 56.736,83 19.567,84 45.421,85 30.241,86 0.496,87 2.467,88 55.242,89 18.66,90 45.168,91 28.971,92 0.555,93 2.234,94 50.703,95 16.736,96 49.676,97 25.742,98 0.425,99 2.117,100 45.806,101 16.235,102 40.904,103 24.683,104 6,105 54,106 0.204,107 0.444,108 0.664,109 0.818,110 0.85,111 0.85,112 3.615,113 1.096,114 -4.34,115 -4.27,116 -4.03,121 37,122 1,123 10,127 8,129 1,144 4,145 2,146 1,148 2,160 1,176 12,179 1,180 10,185 2,187 13,191 1,192 6,195 1,197 2,200 8,205 2,206 3,209 1,211 4,214 11,218 1,219 3,224 2,227 12,232 8,235 1,239 8,243 2,244 8,251 2,256 6,259 1,261 1,269 5,281 2466,282 25.129,283 25.129,284 25.129,285 25.129,286 25.129,287 23.711,288 30.273,289 15.119,290 25.593,291 19.712,292 19.712,293 19.712,294 19.712,295 19.712,296 17.415,297 38.632,298 7.081,299 20.407,300 5.012,301 3.448,302 2.013,303 1.01,304 0.799,305 0.799,306 4.327,312 1,313 1214,314 4,318 537.839,322 319.536,325 2.542,326 22.325,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 75.5,338 549,339 4.64,340 3.72,341 6.829,342 4.207,343 3.226,344 4.564,345 1.94,346 11.348,347 3.162,348 3.974,349 3.361,350 6.134,351 3.816,352 2.866,353 3.437,354 0.8,355 8.992,356 2.724,357 3.914,358 3.074,359 6.021,360 3.726,361 2.78,362 3.117,363 0.8,364 8.568,365 2.63,366 3.809,367 2.854,368 5.982,369 3.524,370 2.532,371 2.893,372 0.555,373 8.37,374 2.512,375 3.532,376 2.668,377 5.385,378 3.34,379 2.403,380 2.814,381 0.4,382 6.875,383 2.245,384 3.442,385 2.35,386 5.309,387 3.115,388 2.162,389 2.468,391 6.692,392 2.059,393 2.938,394 2.186,395 4.496,396 2.862,397 1.893,398 2.142,400 4.629,401 1.829,402 2.894,403 1.985,404 4.151,405 2.526,406 1.544,407 1.894,409 3.735,410 1.514,411 2.662,412 1.684,413 4.116,414 2.486,415 1.499,416 1.673,418 3.371,419 1.47,420 2.592,421 1.468,422 3.928,423 2.345,424 1.347,425 1.588,427 3.329,428 1.343,429 2.489,430 1.389,431 3.604,432 2.242,433 1.263,434 1.488,436 2.902,437 1.24,438 2.296,439 1.35,440 3.594,441 2.222,442 1.247,443 1.289,445 2.858,446 1.209,447 2.195,448 1.314,449 3.494,450 2.13,451 1.152,452 1.178,454 2.64,455 1.121,456 2,457 1.146,458 3.414,459 2,460 1,461 1,463 2.275,464 1,465 2,466 1.072,467 3.271,468 1.967,469 1,470 1,472 2.136,473 0.965,474 17.333,475 0.481,476 0.619,477 0.017,478 35.5,479 0.986,480 12,481 0.333,482 23.5,483 0.653,484 43.876,485 1.219,486 41.467,487 0.512,488 24.047,489 0.668,490 5.951,491 0.165,492 11.774,493 0.327,494 0.048,496 0.271,501 0.832,502 1.574,503 0.997,504 1.294,505 0.565,506 1.178,507 1.104,508 1.257,509 1.08,510 1.096,511 0.601,512 1.077,513 1.193,514 0.973,515 1.013,516 0.931,517 0.916,518 0.945,519 1.182,520 1.101,521 1.117,522 1.107,523 1.395,524 1.111,525 1.026,526 1.013,527 1.006,528 1.002,529 1.103,530 1.002,531 1.074,532 0.964,533 0.98,534 0.965,535 1.078,536 0.963,537 1.494,538 0.882,539 1.039,540 0.9,541 1.861,542 0.932,543 1.129,544 1.082,545 1.066,546 1.075,547 1.363,548 1.073,549 5,550 0.206,551 4,552 2,553 1.573,554 0.972,555 0.726,556 0.399,557 0.193,558 0.194,559 23588,560 40228,561 2.154,562 55.6,563 12,564 21,567 1,568 4,569 7,572 1.768,573 2.077,574 3.812,575 -0.438,582 107.578,583 1.328,584 2.892,585 4.327,586 5.33,587 5.54,588 5.54,589 3.147,590 4.295,591 5.145,592 4.084,593 2572.88,594 9.004,595 44328.9,600 513.528,601 1.135,602 5.128,603 0.125,604 0.007,605 0.074,606 0.034,607 0.03,608 0.02,609 0.016,610 0.01,611 0.005,612 0.006,613 0.328,614 0.33,615 0.75,616 0.519,617 201.389,618 0.049,619 -0.232,620 0.082,621 -0.065,622 0.044,623 -0.002,624 -0.005,625 -0.057,626 -0.02,627 -0.03,628 0.045,629 -0.026,630 -0.042,631 0.095,632 0.014,633 0.058,634 0.007,635 0.045,636 -0.001,637 -0.063,638 -0.1,639 -0.095,640 -0.048,641 -0.107,642 -0.005,643 -0.036,644 -0.019,645 -0.023,646 -0.041,647 -0.022,648 -0.016,649 -0.009,650 0.006,651 -0.01,652 -0.014,654 -0.085,655 0.079,656 -0.023,657 0.048,658 -0.129,659 0.021,660 -0.022,661 -0.085,662 -0.067,663 -0.065,664 -0.047,665 -0.072,666 1.322,667 5.93,668 0.722,669 43.278,670 0.982,671 1.136,672 3.106,673 9.647,674 0.626,675 3.714,676 4.007,677 4.304,678 4.554,679 4.804,680 4.844,681 4.963,682 5.043,683 5.13,684 5.153,685 9.22,686 0.572,687 491.8,688 3.714,689 5.242,690 6.094,691 6.959,692 7.827,693 8.7,694 9.574,695 10.452,696 11.329,697 12.21,698 6.2,701 2,703 1,705 1,708 1,714 2,715 4,716 1,720 3,722 11,734 1,741 81,743 12,744 1,745 40,747 85,748 30,749 9,750 2,751 4,756 5,757 8,763 1,767 10,770 11,772 10,773 20,777 1,782 1,786 1,793 45,794 6,795 1,796 6,802 5,808 0.6,809 1,822 1,829 5,833 2,844 1,855 2,859 3,864 1,868 36,876 18,877 1,880 1,881 3,893 1.2,896 1,901 17.333,902 14.383,903 8.083,904 5.854,907 2.413,908 1.286,909 0.979,910 9.029,911 10.843,912 3.861,913 4.35,914 4.887,915 5.421,916 5.98,917 6.283,918 6.642,919 6.972,920 7.27,921 7.148,922 0.9,923 58,924 13.492,926 5.691,927 0.026,929 7.356,931 27.455,933 23.613,936 1.856,937 66.833,941 517.928,942 107.042,943 44.169,945 25.145,948 107.042,949 543.073,950 44.169,951 8.825,952 45.315,953 37.905,954 64.646,955 19.665,957 517.928,959 517.928,960 151.211,961 25.145,964 435.531,965 107.543,968 65.29,969 51.125,970 34.796,972 517.928,973 69.314,974 107.042,977 517.928,978 60.312,979 56.103,980 18.011,981 41.93,982 517.928,983 69.314,984 107.042,986 0.568,987 0.343,988 0.19,989 0.104,990 25,991 10,992 0.106,993 9,994 2,995 1.154,996 4.836,997 335.268,998 0.154,999 26,1000 178.117,1005 25.791,1006 12.603,1007 6.363,1008 2.362,1009 69.314,1010 8.554,1011 4.966,1015 4.034,1017 18.011,1018 694.285,1019 46.5,1024 12.93,1028 0.344,1031 79.508,1032 92.005,1034 0.209,1035 0.456,1036 0.682,1037 0.841,1038 0.874,1039 0.874,1040 5.11,1041 1.544,1042 6.047,1043 4.629,1044 4.691,1045 5.037,1046 2.295,1047 6.838,1048 4.625,1049 6.244,1050 1.499,1051 7.588,1052 3.735,1053 4.111,1054 4.771,1055 1.803,1056 7.719,1057 3.993,1058 7.522,1059 1.347,1060 9.235,1061 3.371,1062 6.256,1063 7.126,1064 3.016,1065 10.836,1066 6.117,1067 8.837,1068 1.263,1069 10.948,1070 3.329,1071 6.567,1072 7.81,1073 3.157,1074 12.596,1075 6.383,1076 10.195,1077 1.247,1078 12.705,1079 2.902,1080 8.113,1081 9.641,1082 4.14,1083 15.217,1084 7.91,1085 11.582,1086 1.152,1087 14.491,1088 2.858,1089 8.848,1090 10.771,1091 4.543,1092 17.336,1093 8.61,1094 12.992,1095 1,1096 16.298,1097 2.64,1098 10.143,1099 12.408,1100 5.383,1101 19.804,1102 9.887,1103 3.226,1104 1,1105 18.121,1106 2.275,1107 11.087,1108 13.748,1109 5.912,1110 22.082,1111 10.804,1112 2.866,1113 11.348,1114 19.957,1115 2.136,1116 12.279,1117 15.31,1118 6.67,1119 24.507,1120 11.978,1121 2.78,1122 8.992,1123 21.801,1124 4.564,1125 13.324,1126 16.748,1127 7.263,1128 26.859,1129 13.002,1130 2.532,1131 8.568,1132 23.654,1133 3.437,1134 14.479,1135 18.281,1136 7.976,1137 29.275,1138 14.14,1139 2.403,1140 8.37,1141 25.514,1142 3.117,1143 15.575,1144 19.763,1145 8.602,1146 31.664,1147 15.218,1148 2.162,1149 6.875,1150 27.381,1151 2.893,1152 16.72,1153 21.286,1154 9.292,1155 34.081,1156 16.346,1157 1.893,1158 6.692,1159 29.252,1160 2.814,1161 17.842,1162 22.787,1163 9.936,1164 36.488,1165 17.453,1166 21791,1167 28662,1168 27.622,1169 50.711,1170 58.839,1171 59.803,1172 60.411,1173 58.711,1174 58.681,1175 68.246,1176 8.992,1177 163.634,1178 56.839,1179 5.64,1180 5.72,1181 6.631,1182 5.274,1183 5.226,1184 7.564,1185 3.348,1186 18.879,1187 5.162,1188 11.733,1189 1.471,1190 1.495,1191 1.51,1192 1.468,1193 1.467,1194 1.706,1195 0.225,1196 4.091,1197 1.421,1198 4.117,1199 4.15,1200 4.075,1201 4.042,1202 7.427,1203 4.046,1204 3.928,1205 3.99,1206 3.815,1207 3.782,1208 4.973,1209 3.777,1210 3.844,1211 3.913,1212 3.725,1213 3.659,1214 4.421,1215 3.667,1216 3.732,1217 3.781,1218 3.617,1219 3.646,1220 4.381,1221 3.635,1222 3.63,1223 3.7,1224 3.493,1225 3.449,1226 4.334,1227 3.448,1228 3.504,1229 3.586,1230 3.35,1231 3.304,1232 4.168,1233 3.304,1234 3.375,1235 3.45,1236 3.22,1237 3.199,1238 4.077,1239 3.19,1240 3.214,1241 3.281,1242 3.068,1243 3.076,1244 3.975,1245 3.063,1246 0.116,1247 0.093,1248 0.171,1249 0.105,1250 0.081,1251 4.64,1252 0.114,1253 3.72,1254 0.049,1255 6.829,1256 0.284,1257 4.207,1258 0.079,1259 3.226,1260 4.564,1261 1.94,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.158,1267 2.163,1268 1.495,1269 2.163,1270 1.89,1271 1.832,1272 2.106,1273 2.061,1274 1.435,1275 2.076,1276 1.798,1277 1.731,1278 1.999,1279 2.019,1280 1.32,1281 2.021,1282 1.754,1283 1.709,1284 1.949,1285 1.872,1286 1.16,1287 1.902,1288 1.613,1289 1.543,1290 1.872,1291 1.824,1292 1.145,1293 1.844,1294 1.48,1295 1.403,1296 1.749,1297 1.718,1298 0.996,1299 1.732,1300 1.374,1301 1.3,1302 1.679,1303 1.596,1304 0.913,1305 1.627,1306 1.218,1307 1.158,1308 1.513,1309 1.393,1310 0.825,1311 1.429,1312 4.394,1314 5.694,1316 7.206,1318 8.814,1320 10.475,1322 2.246,1328 19.732,1329 3.8,1332 0.698,1333 7.166,1340 46.358,1341 107.578,1342 234.244,1343 350.45,1344 431.753,1345 448.773,1346 448.773,1347 60.834,1348 8.431,1349 51.71,1350 51.71,1351 30,1352 12.747,1353 3.7,1354 2.907,1355 54.917,1356 205,1357 184,1358 0.128,1359 281.977,1360 491.91,1361 679.784,1362 70466,1364 24.744,1365 0.687,1366 0.62,1367 24.744,1368 22.312,1369 17.725,1370 0.443,1371 0.365,1372 14.473,1373 17.212,1374 14.181,1375 11.673,1376 17.725,1377 14.612,1378 15.149,1379 0.281,1380 0.203,1381 15.149,1382 10.956,1383 13.321,1384 0.182,1385 0.12,1386 13.321,1387 8.734,1388 11.099,1389 0.118,1390 0.07,1391 11.099,1392 6.577,1393 9.222,1394 0.076,1395 0.04,1396 9.222,1397 4.869,1398 0.21,1399 109.55,1400 0.19,1401 33.78,1402 0.327,1403 188,1404 394.649,1405 200.9,1406 384.429,1407 541.23,1408 366,1409 221,1410 405.538,1411 235.233,1412 408.523,1413 604.69,1414 390,1415 8.428}
{0 CHEMBL2064466,1 1.375,2 15.2,3 4.627,4 21.412,5 144.199,6 6.552,7 0.436,8 4.349,9 4.489,10 3.82,11 3.882,12 5.285,13 3.834,14 4.943,15 5.153,16 4.157,17 4.297,18 5.8,19 4.22,20 5.24,21 5.488,22 4.244,23 4.479,24 6.058,25 4.367,26 5.302,27 5.552,28 4.164,29 4.487,30 6.136,31 4.345,32 5.338,33 5.617,34 4.084,35 4.458,36 6.106,37 4.296,38 5.294,39 5.581,40 4.001,41 4.393,42 6.037,43 4.227,44 5.213,45 5.495,46 3.964,47 4.33,48 5.974,49 4.169,50 5.155,51 5.428,52 3.931,53 4.307,54 5.911,55 4.144,56 0.072,57 1.079,58 17.027,59 6.663,60 9.252,61 9.75,62 0.304,63 1.796,64 31.98,65 10.796,66 21.762,67 16.53,68 0.424,69 2.241,70 43.501,71 14.859,72 34.878,73 22.429,74 0.497,75 2.287,76 46.383,77 16.35,78 48.966,79 24.241,80 0.465,81 2.281,82 48.198,83 16.672,84 49.646,85 25.191,86 0.437,87 2.169,88 46.221,89 15.773,90 45.564,91 23.914,92 0.42,93 1.999,94 42.576,95 14.921,96 43.786,97 22.27,98 0.36,99 1.904,100 39.851,101 14.505,102 41.107,103 21.579,104 5,105 53,106 0.214,107 0.494,108 0.675,109 0.814,110 0.856,111 0.856,112 3.588,113 1.007,114 -4.18,115 -4.12,116 -3.9,121 40.3,123 5,126 1,127 7,144 9,145 2,146 2,148 2,160 1,176 12,179 1,180 9,185 2,187 13,191 1,192 6,195 1,197 2,200 8,205 2,206 3,209 1,211 4,214 8,218 1,219 3,224 2,227 10,232 6,235 1,239 7,243 2,244 8,251 2,256 6,259 1,261 1,269 4,281 2304,282 24.258,283 24.258,284 24.258,285 24.258,286 24.258,287 22.114,288 28.692,289 14.6,290 24.686,291 19.275,292 19.275,293 19.275,294 19.275,295 19.275,296 15.957,297 36.864,298 6.932,299 19.941,300 4.795,301 2.998,302 1.84,303 0.943,304 0.677,305 0.677,306 4.3,312 1,313 1181,314 3.873,318 516.602,322 305.801,325 2.571,326 20.959,329 1,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.98,337 73.5,338 532,339 4.64,340 3.72,341 6.829,342 4.207,343 3.226,344 4.564,345 1.94,346 11.348,347 3.162,348 4.056,349 3.361,350 6.052,351 3.8,352 2.847,353 3.538,354 0.8,355 8.654,356 2.712,357 3.948,358 3.021,359 5.994,360 3.701,361 2.755,362 3.437,363 0.8,364 8.473,365 2.609,366 3.914,367 2.853,368 5.982,369 3.524,370 2.532,371 3.109,372 0.555,373 8.37,374 2.512,375 3.533,376 2.668,377 5.385,378 3.34,379 2.402,380 2.893,381 0.4,382 6.875,383 2.245,384 3.445,385 2.35,386 5.309,387 3.115,388 2.162,389 2.475,391 6.692,392 2.059,393 3.141,394 2.186,395 4.379,396 2.808,397 1.841,398 2.319,400 4.405,401 1.775,402 2.938,403 1.934,404 4.116,405 2.524,406 1.541,407 2.142,409 3.64,410 1.513,411 2.696,412 1.684,413 4.092,414 2.48,415 1.493,416 1.701,418 3.368,419 1.465,420 2.604,421 1.468,422 3.927,423 2.345,424 1.347,425 1.63,427 3.329,428 1.343,429 2.5,430 1.389,431 3.604,432 2.242,433 1.261,434 1.5,436 2.902,437 1.24,438 2.49,439 1.35,440 3.594,441 2.217,442 1.247,443 1.489,445 2.858,446 1.203,447 2.436,448 1.31,449 3.466,450 2.051,451 1.07,452 1.402,454 2.541,455 1.043,456 2.281,457 1.146,458 3.414,459 2,460 1,461 1.254,463 2.275,464 1,465 2,466 1,467 3.262,468 1.967,469 1,470 1,472 2.136,473 0.965,474 16.833,475 0.481,476 0.657,477 0.019,478 41.5,479 1.186,480 18.5,481 0.529,482 23,483 0.657,484 34.856,485 0.996,486 38.367,487 0.533,488 30.339,489 0.867,490 7.903,491 0.226,492 9.283,493 0.265,494 0.05,496 0.279,501 0.823,502 1.487,503 0.906,504 1.19,505 0.57,506 1.074,507 1.135,508 1.158,509 1.024,510 0.989,511 0.628,512 0.982,513 1.19,514 1.005,515 1.03,516 0.963,517 0.989,518 0.973,519 1.23,520 1.101,521 1.138,522 1.114,523 1.497,524 1.123,525 1.099,526 1.011,527 1.03,528 0.999,529 1.156,530 1.007,531 1.134,532 0.954,533 1.034,534 0.969,535 1.042,536 0.986,537 1.116,538 0.93,539 1,540 0.963,541 1.191,542 0.972,543 0.957,544 1.044,545 1,546 1.038,547 1.072,548 1.031,549 5,550 0.206,551 4,552 2,553 1.573,554 0.889,555 0.686,556 0.399,557 0.18,558 0.179,559 22123,560 44606,561 2.158,562 51.4,563 6,564 26,567 1,568 4,572 1.761,573 2.079,574 3.81,575 -0.43,582 98.994,583 1.375,584 3.172,585 4.33,586 5.227,587 5.493,588 5.493,589 3.167,590 4.479,591 5.103,592 4.078,593 2426.63,594 8.919,595 40867,600 444.235,601 1.15,602 5.086,603 0.128,604 0.008,605 0.075,606 0.036,607 0.032,608 0.02,609 0.017,610 0.01,611 0.005,612 0.005,613 0.335,614 0.5,615 0.75,616 0.383,617 194.234,618 0.033,619 -0.237,620 0.078,621 -0.069,622 0.03,623 -0.006,624 -0.036,625 0.01,626 -0.013,627 0.019,628 0.026,629 0.01,630 -0.055,631 0.063,632 -0.024,633 0.019,634 -0.029,635 0.005,636 -0.018,637 -0.081,638 -0.135,639 -0.123,640 -0.106,641 -0.141,642 -0.026,643 -0.04,644 -0.037,645 -0.03,646 -0.042,647 -0.034,648 -0.064,649 0.014,650 -0.039,651 -0.013,652 -0.029,653 -0.021,654 -0.011,655 0.031,656 -0.005,657 0.005,658 -0.019,660 0.022,661 -0.082,662 -0.019,663 -0.044,664 0.003,665 -0.039,666 1.402,667 5.763,668 0.743,669 42.052,670 0.986,671 1.13,672 2.948,673 8.692,674 0.648,675 3.689,676 3.989,677 4.277,678 4.522,679 4.779,680 4.812,681 4.934,682 5.017,683 5.118,684 5.13,685 9.104,686 0.601,687 471.71,688 3.689,689 5.22,690 6.071,691 6.936,692 7.803,693 8.675,694 9.548,695 10.426,696 11.303,697 12.184,698 6.9,701 1,703 1,704 1,705 1,708 1,714 2,715 9,716 1,720 4,722 17,734 1,736 1,741 72,743 18,744 2,745 39,747 76,748 29,749 15,750 3,751 9,756 5,757 8,767 4,770 5,772 16,773 13,777 1,782 1,786 1,793 37,794 6,795 1,796 6,802 5,808 0.6,809 1,822 1,829 5,833 2,844 1,855 1,859 3,864 1,868 35,876 12,877 1,881 3,893 1.4,896 1,901 16.833,902 12.967,903 7.75,904 4.715,907 3.135,908 1.374,909 1,910 7.852,911 11.526,912 3.902,913 4.443,914 5.006,915 5.554,916 6.116,917 6.346,918 6.698,919 7.008,920 7.305,921 7.202,922 0.9,923 56,924 13.035,926 5.488,927 0.026,929 7.448,931 26,933 21.908,936 1.948,937 68.167,941 423.76,942 141.973,943 44.169,945 25.145,948 141.973,949 448.905,950 44.169,951 8.396,952 30.537,953 85.286,954 64.646,955 22.422,957 423.76,959 423.76,960 186.142,961 25.145,964 423.76,965 25.145,968 38.562,969 112.784,970 34.796,972 423.76,973 69.314,974 141.973,977 423.76,978 48.29,979 103.056,980 18.011,981 41.93,982 423.76,983 69.314,984 141.973,986 0.573,987 0.34,988 0.185,989 0.103,990 25,991 10,992 0.105,993 8,994 2,995 1.154,996 4.779,997 322.567,998 0.154,999 26,1000 171.525,1005 24.088,1006 11.408,1007 5.792,1008 2.338,1009 69.314,1010 18.769,1011 4.951,1015 5.149,1017 18.011,1018 635.047,1019 48.5,1024 12.763,1028 0.264,1031 70.974,1032 81.344,1034 0.223,1035 0.514,1036 0.702,1037 0.847,1038 0.89,1039 0.89,1040 5.137,1041 1.541,1042 6.028,1043 4.405,1044 4.673,1045 5.13,1046 2.295,1047 6.817,1048 4.607,1049 6.298,1050 1.493,1051 7.569,1052 3.64,1053 4.111,1054 4.832,1055 1.803,1056 7.687,1057 3.993,1058 7.582,1059 1.347,1060 9.215,1061 3.368,1062 6.236,1063 7.27,1064 3.016,1065 10.805,1066 6.101,1067 8.903,1068 1.261,1069 10.927,1070 3.329,1071 6.553,1072 7.886,1073 3.157,1074 12.555,1075 6.372,1076 10.264,1077 1.247,1078 12.682,1079 2.902,1080 8.092,1081 9.781,1082 4.14,1083 15.181,1084 7.894,1085 11.653,1086 1.07,1087 14.466,1088 2.858,1089 8.827,1090 10.844,1091 4.543,1092 17.295,1093 8.596,1094 13.064,1095 1,1096 16.272,1097 2.541,1098 10.121,1099 12.515,1100 5.383,1101 19.768,1102 9.872,1103 3.226,1104 1,1105 18.094,1106 2.275,1107 11.063,1108 13.808,1109 5.912,1110 22.047,1111 10.788,1112 2.847,1113 11.348,1114 19.928,1115 2.136,1116 12.256,1117 15.383,1118 6.67,1119 24.476,1120 11.963,1121 2.755,1122 8.654,1123 21.772,1124 4.564,1125 13.3,1126 16.791,1127 7.263,1128 26.831,1129 12.988,1130 2.532,1131 8.473,1132 23.624,1133 3.538,1134 14.455,1135 18.328,1136 7.976,1137 29.251,1138 14.126,1139 2.402,1140 8.37,1141 25.484,1142 3.437,1143 15.551,1144 19.792,1145 8.602,1146 31.643,1147 15.205,1148 2.162,1149 6.875,1150 27.35,1151 3.109,1152 16.696,1153 21.314,1154 9.292,1155 34.063,1156 16.334,1157 1.841,1158 6.692,1159 29.221,1160 2.893,1161 17.82,1162 22.806,1163 9.936,1164 36.473,1165 17.441,1166 20367,1167 29034,1168 26.929,1169 46.665,1170 57.942,1171 58.776,1172 58.823,1173 57.733,1174 57.663,1175 71.404,1176 8.992,1177 160.951,1178 55.85,1179 5.64,1180 5.72,1181 6.631,1182 5.274,1183 5.226,1184 7.564,1185 3.348,1186 18.879,1187 5.162,1188 11.418,1189 1.486,1190 1.507,1191 1.508,1192 1.48,1193 1.479,1194 1.831,1195 0.231,1196 4.127,1197 1.432,1198 4.116,1199 4.148,1200 4.075,1201 4.042,1202 7.427,1203 4.046,1204 3.935,1205 3.983,1206 3.86,1207 3.84,1208 4.973,1209 3.839,1210 3.853,1211 3.913,1212 3.756,1213 3.665,1214 4.767,1215 3.678,1216 3.732,1217 3.781,1218 3.617,1219 3.647,1220 4.418,1221 3.635,1222 3.611,1223 3.674,1224 3.491,1225 3.427,1226 4.361,1227 3.431,1228 3.464,1229 3.548,1230 3.313,1231 3.272,1232 4.181,1233 3.27,1234 3.275,1235 3.345,1236 3.152,1237 3.102,1238 4.144,1239 3.099,1240 3.19,1241 3.26,1242 3.052,1243 2.997,1244 3.975,1245 3.001,1246 0.119,1247 0.095,1248 0.175,1249 0.108,1250 0.083,1251 4.64,1252 0.117,1253 3.72,1254 0.05,1255 6.829,1256 0.291,1257 4.207,1258 0.081,1259 3.226,1260 4.564,1261 1.94,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.158,1267 2.163,1268 1.435,1269 2.163,1270 1.902,1271 1.868,1272 2.035,1273 2.044,1274 1.321,1275 2.042,1276 1.798,1277 1.732,1278 1.994,1279 1.998,1280 1.174,1281 2.004,1282 1.754,1283 1.709,1284 1.949,1285 1.872,1286 1.149,1287 1.902,1288 1.58,1289 1.516,1290 1.813,1291 1.789,1292 1.018,1293 1.799,1294 1.444,1295 1.365,1296 1.713,1297 1.677,1298 0.97,1299 1.695,1300 1.242,1301 1.179,1302 1.547,1303 1.486,1304 0.825,1305 1.504,1306 1.184,1307 1.107,1308 1.513,1309 1.376,1310 0.754,1311 1.429,1312 4.369,1314 5.673,1316 7.186,1318 8.794,1320 10.454,1322 2.052,1328 11.436,1329 3.778,1333 6.666,1340 43.251,1341 98.994,1342 228.388,1343 311.773,1344 376.36,1345 395.48,1346 395.48,1347 54.431,1348 8.391,1349 51.71,1350 51.71,1351 30,1352 12.72,1353 4.248,1354 3.392,1355 52.675,1356 196,1357 187,1358 0.128,1359 263.603,1360 455.79,1361 634.95,1362 67402,1364 24.037,1365 0.687,1366 0.597,1367 24.037,1368 20.879,1369 17.187,1370 0.441,1371 0.336,1372 12.953,1373 16.675,1374 12.658,1375 10.436,1376 17.187,1377 13.095,1378 14.958,1379 0.282,1380 0.185,1381 14.958,1382 9.793,1383 13.019,1384 0.183,1385 0.105,1386 13.019,1387 7.482,1388 10.708,1389 0.118,1390 0.059,1391 10.708,1392 5.367,1393 9.015,1394 0.076,1395 0.033,1396 9.015,1397 3.936,1398 0.211,1399 106.407,1400 0.193,1401 33.071,1402 0.328,1403 184,1404 422.649,1405 196.567,1406 415.38,1407 582.56,1408 394,1409 216,1410 435.538,1411 230.067,1412 442.861,1413 649.42,1414 420,1415 7.153}
{0 CHEMBL2064468,1 1.245,2 15.265,3 5.501,4 30.258,5 145.199,6 5.871,7 0.289,8 4.426,9 4.58,10 3.806,11 3.934,12 5.216,13 3.864,14 5.069,15 5.301,16 4.135,17 4.378,18 5.768,19 4.27,20 5.398,21 5.675,22 4.211,23 4.579,24 6.033,25 4.423,26 5.467,27 5.76,28 4.116,29 4.586,30 6.072,31 4.394,32 5.47,33 5.781,34 4.028,35 4.537,36 6.038,37 4.333,38 5.409,39 5.722,40 3.943,41 4.466,42 5.967,43 4.258,44 5.327,45 5.638,46 3.901,47 4.402,48 5.879,49 4.198,50 5.269,51 5.57,52 3.889,53 4.379,54 5.818,55 4.182,56 0.11,57 1.178,58 20.413,59 7.574,60 10.396,61 11.65,62 0.296,63 1.974,64 37.682,65 12.432,66 20.475,67 19.96,68 0.437,69 2.48,70 50.443,71 17.355,72 29.85,73 27.213,74 0.428,75 2.528,76 52.968,77 18.882,78 32.208,79 29.208,80 0.386,81 2.436,82 52.342,83 18.337,84 30.273,85 28.688,86 0.4,87 2.282,88 49.289,89 17.15,90 28.298,91 26.821,92 0.381,93 2.116,94 45.417,95 16.212,96 25.499,97 25.025,98 0.29,99 2.034,100 42.912,101 15.631,102 21.509,103 24.093,104 2,105 51,106 0.193,107 0.42,108 0.627,109 0.776,110 0.824,111 0.848,112 3.56,113 1.111,114 -4.59,115 -4.51,116 -4.25,121 36.7,123 10,126 1,127 8,129 1,144 4,145 2,146 1,148 2,176 12,180 8,185 2,187 13,191 1,192 6,195 1,197 2,200 8,205 1,206 3,209 1,211 4,214 8,219 3,224 2,227 10,232 4,235 1,239 7,243 2,244 6,251 2,256 5,261 1,269 4,281 2160,282 23.758,283 23.758,284 23.758,285 23.758,286 23.758,287 22.471,288 29.942,289 14.447,290 24.216,291 18.813,292 18.813,293 18.813,294 18.813,295 18.813,296 16.789,297 41.247,298 6.884,299 19.547,300 5.059,301 3.59,302 2.252,303 1.285,304 0.972,305 0.82,306 4.275,312 1,313 1156,314 3.606,318 496.923,322 293.318,325 2.571,326 12.665,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 70.5,338 519,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.8,346 11.348,347 3.162,348 3.914,349 3.033,350 6.018,351 3.733,352 2.786,353 3.437,354 0.8,355 8.538,356 2.639,357 3.786,358 2.975,359 5.982,360 3.577,361 2.655,362 2.894,363 0.8,364 8.37,365 2.512,366 3.657,367 2.669,368 5.492,369 3.524,370 2.532,371 2.786,372 0.4,373 7.39,374 2.446,375 3.519,376 2.579,377 5.381,378 3.173,379 2.245,380 2.653,382 6.714,383 2.092,384 3.22,385 2.336,386 5.129,387 3.086,388 2.143,389 2.223,391 6.373,392 2.01,393 2.938,394 1.948,395 4.313,396 2.807,397 1.838,398 2.141,400 4.274,401 1.775,402 2.839,403 1.691,404 4.116,405 2.518,406 1.532,407 1.839,409 3.391,410 1.509,411 2.615,412 1.473,413 3.933,414 2.345,415 1.347,416 1.651,418 3.329,419 1.343,420 2.49,421 1.407,422 3.61,423 2.324,424 1.347,425 1.49,427 2.925,428 1.315,429 2.361,430 1.35,431 3.594,432 2.242,433 1.254,434 1.359,436 2.902,437 1.24,438 2.272,439 1.35,440 3.549,441 2.216,442 1.247,443 1.27,445 2.811,446 1.202,447 2,448 1.146,449 3.414,450 2,451 1,452 1,454 2.275,455 1,456 2,457 1.004,458 3.317,459 1.967,460 1,461 1,463 2.136,464 0.965,465 1.908,466 1,467 3.247,468 1.836,469 0.87,470 0.885,472 2.003,473 0.839,474 16.5,475 0.485,476 0.568,477 0.017,478 32.75,479 0.963,480 10.5,481 0.309,482 22.25,483 0.654,484 40.931,485 1.204,486 39.3,487 0.497,488 20.462,489 0.602,490 5.415,491 0.159,492 11.361,493 0.334,494 0.03,496 0.255,501 1.043,502 1.591,503 1.047,504 1.304,505 0.897,506 1.197,507 1.627,508 1.215,509 1.144,510 1.064,511 1.028,512 1.066,513 1.258,514 1.029,515 1.058,516 0.997,517 0.999,518 1.01,519 1.024,520 1.059,521 1.053,522 1.063,523 1.042,524 1.06,525 1.07,526 0.984,527 0.982,528 0.962,529 1.083,530 0.965,531 1.105,532 0.952,533 1.007,534 0.958,535 1.038,536 0.972,537 0.959,538 0.928,539 0.967,540 0.951,541 0.89,542 0.958,543 0.927,544 1.041,545 0.982,546 1.023,547 0.815,548 1.01,549 4.5,550 0.173,551 3.333,552 1.75,553 1.453,554 0.66,555 0.563,556 0.345,557 0.16,558 0.179,559 21054,560 32457,561 2.182,562 57,563 12,564 24,567 1,568 2,569 4,570 2,572 1.752,573 2.125,574 3.804,575 -0.45,582 98.374,583 1.245,584 2.714,585 4.052,586 5.019,587 5.332,588 5.484,589 3.149,590 4.197,591 5.06,592 4.078,593 2287.69,594 8.828,595 38197.4,600 497.999,601 1.012,602 5.053,603 0.118,604 0.007,605 0.065,606 0.033,607 0.032,608 0.016,609 0.015,610 0.009,611 0.004,612 0.005,613 0.305,614 0.33,615 0.75,616 0.299,617 187.704,618 0.104,619 -0.239,620 0.092,621 -0.066,622 0.167,623 -0.001,624 -0.149,625 -0.01,626 -0.041,627 -0.001,628 0.042,629 -0.011,630 -0.017,631 0.043,632 -0.022,633 0.008,634 0.084,635 -0.005,636 0.022,637 -0.047,638 -0.053,639 -0.068,640 0.042,641 -0.066,642 -0.044,643 -0.018,645 0.002,646 -0.047,647 0.004,648 -0.032,649 0.015,650 -0.022,651 -0.003,652 -0.074,653 -0.01,654 0.053,655 0.038,656 0.014,657 0.016,658 -0.011,659 0.013,660 -0.011,661 -0.06,662 -0.002,663 -0.027,664 -0.004,665 -0.016,666 0.52,667 1.985,668 0.765,669 41.827,670 0.977,671 1.137,672 3.362,673 11.301,674 0.623,675 3.664,676 3.951,677 4.234,678 4.489,679 4.745,680 4.762,681 4.89,682 4.99,683 5.094,684 5.094,685 9.148,686 0.565,687 463.79,688 3.664,689 5.187,690 6.033,691 6.895,692 7.757,693 8.626,694 9.496,695 10.371,696 11.246,697 12.125,698 6.3,701 3,703 1,708 1,714 2,715 4,716 1,720 3,722 11,734 1,741 79,743 11,744 1,745 38,747 83,748 29,749 9,750 2,751 4,756 5,757 8,767 10,770 11,772 9,773 20,793 45,794 5,795 1,796 5,802 5,808 0.6,822 1,829 5,833 2,855 3,859 3,864 1,868 34,876 18,877 1,880 1,881 3,901 16,902 13.967,903 7.556,904 5.587,907 2.383,908 1.285,909 0.985,910 8.498,911 10.734,912 3.795,913 4.284,914 4.824,915 5.38,916 5.951,917 6.251,918 6.621,919 6.961,920 7.263,921 7.133,922 0.9,923 53,924 12.717,926 5.318,927 0.026,929 7.211,931 26.303,933 22.729,936 1.711,937 58.167,941 517.928,942 101.908,943 44.169,948 101.908,949 517.928,950 44.169,951 8.396,952 42.191,953 37.905,954 34.796,955 22.789,957 517.928,959 517.928,960 146.078,964 447.302,965 70.627,968 56.465,969 54.817,970 34.796,972 517.928,973 44.169,974 101.908,977 517.928,978 55.607,979 55.674,980 18.011,981 16.786,982 517.928,983 44.169,984 101.908,986 0.568,987 0.335,988 0.186,989 0.104,990 24,991 9,992 0.108,993 9,994 2,995 1.154,996 4.764,997 307.269,998 0.154,999 26,1000 164.974,1005 24.187,1006 11.946,1007 6.197,1008 2.444,1009 44.169,1010 8.671,1011 4.985,1015 4.171,1017 18.011,1018 664.006,1019 43.5,1031 77.181,1032 89.796,1034 0.198,1035 0.43,1036 0.643,1037 0.796,1038 0.846,1039 0.87,1040 5.042,1041 1.532,1042 5.979,1043 4.274,1044 4.635,1045 4.97,1046 1.435,1047 6.753,1048 4.56,1049 6.166,1050 1.347,1051 7.506,1052 3.391,1053 4.007,1054 4.663,1055 0.766,1056 7.591,1057 3.865,1058 7.435,1059 1.347,1060 9.139,1061 3.329,1062 6.18,1063 7.058,1064 0.889,1065 10.719,1066 6.03,1067 8.741,1068 1.254,1069 10.84,1070 2.925,1071 6.447,1072 7.73,1073 0.653,1074 12.464,1075 6.243,1076 10.094,1077 1.247,1078 12.587,1079 2.902,1080 8.017,1081 9.589,1082 0.598,1083 15.097,1084 7.804,1085 11.477,1086 1,1087 14.366,1088 2.811,1089 8.724,1090 10.723,1091 0.482,1092 17.221,1093 8.475,1094 12.887,1095 1,1096 16.168,1097 2.275,1098 10.034,1099 12.375,1100 0.411,1101 19.702,1102 9.773,1103 3.226,1104 0.87,1105 17.988,1106 2.136,1107 10.964,1108 13.722,1109 0.337,1110 21.993,1111 10.68,1112 2.786,1113 11.348,1114 19.822,1115 2.003,1116 12.165,1117 15.292,1118 0.28,1119 24.43,1120 11.868,1121 2.655,1122 8.538,1123 21.667,1124 4.564,1125 13.208,1126 16.735,1127 0.229,1128 26.795,1129 12.894,1130 2.532,1131 8.37,1132 23.522,1133 3.437,1134 14.369,1135 18.272,1136 0.188,1137 29.222,1138 14.042,1139 2.245,1140 7.39,1141 25.385,1142 2.894,1143 15.468,1144 19.756,1145 0.153,1146 31.62,1147 15.127,1148 2.143,1149 6.714,1150 27.256,1151 2.786,1152 16.619,1153 21.281,1154 0.124,1155 34.045,1156 16.264,1157 1.838,1158 6.373,1159 29.133,1160 2.653,1161 17.747,1162 22.784,1163 0.1,1164 36.459,1165 17.378,1166 19310,1167 24203,1168 26.523,1169 49.256,1170 55.791,1171 55.812,1172 56.662,1173 55.868,1174 55.79,1175 64.317,1176 5.6,1177 153.703,1178 53.784,1179 5.64,1180 5.361,1181 6.631,1182 5.274,1183 5.226,1184 7.564,1185 1.2,1186 18.879,1187 5.162,1188 8.11,1189 1.468,1190 1.469,1191 1.491,1192 1.47,1193 1.468,1194 1.693,1195 0.147,1196 4.045,1197 1.415,1198 4.117,1199 4.149,1200 4.075,1201 4.042,1202 4.973,1203 4.046,1204 3.919,1205 3.986,1206 3.793,1207 3.777,1208 4.437,1209 3.769,1210 3.841,1211 3.913,1212 3.715,1213 3.66,1214 4.403,1215 3.664,1216 3.732,1217 3.781,1218 3.617,1219 3.647,1220 4.338,1221 3.635,1222 3.609,1223 3.688,1224 3.45,1225 3.432,1226 4.193,1227 3.425,1228 3.473,1229 3.559,1230 3.318,1231 3.276,1232 4.059,1233 3.275,1234 3.286,1235 3.373,1236 3.13,1237 3.113,1238 3.976,1239 3.106,1240 3.196,1241 3.267,1242 3.042,1243 3.033,1244 3.855,1245 3.019,1246 0.122,1247 0.088,1248 0.18,1249 0.111,1250 0.085,1251 4.64,1252 0.12,1253 3.361,1254 0.021,1255 6.829,1256 0.299,1257 4.207,1258 0.083,1259 3.226,1260 4.564,1261 0.8,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.158,1267 2.163,1268 1.492,1269 2.163,1270 1.887,1271 1.829,1272 2.105,1273 2.06,1274 1.435,1275 2.076,1276 1.806,1277 1.733,1278 2.019,1279 2.019,1280 1.354,1281 2.029,1282 1.754,1283 1.709,1284 1.949,1285 1.872,1286 1.188,1287 1.902,1288 1.602,1289 1.526,1290 1.863,1291 1.814,1292 1.146,1293 1.836,1294 1.451,1295 1.371,1296 1.721,1297 1.691,1298 0.989,1299 1.707,1300 1.28,1301 1.201,1302 1.602,1303 1.52,1304 0.849,1305 1.552,1306 1.204,1307 1.134,1308 1.513,1309 1.376,1310 0.825,1311 1.429,1312 4.344,1314 5.638,1316 7.143,1318 8.745,1320 10.402,1322 2.351,1328 22.871,1329 3.851,1332 0.848,1333 7.974,1340 44.643,1341 98.374,1342 214.367,1343 320.124,1344 396.515,1345 421.244,1346 433.244,1347 47.811,1348 8.35,1349 34.64,1350 34.64,1351 30,1352 12.663,1353 3.585,1354 2.7,1355 50.517,1356 191,1357 184,1358 0.126,1359 271.316,1360 468.46,1361 653.771,1362 64958,1364 23.167,1365 0.681,1366 0.63,1367 23.167,1368 21.404,1369 16.776,1370 0.441,1371 0.37,1372 13.938,1373 16.326,1374 13.632,1375 11.249,1376 16.776,1377 14.071,1378 14.44,1379 0.283,1380 0.213,1381 14.44,1382 10.872,1383 12.484,1384 0.184,1385 0.126,1386 12.484,1387 8.547,1388 10.438,1389 0.119,1390 0.073,1391 10.438,1392 6.398,1393 8.784,1394 0.077,1395 0.042,1396 8.784,1397 4.81,1398 0.208,1399 103.403,1400 0.194,1401 32.441,1402 0.319,1403 178,1404 330.913,1405 188.019,1406 327.698,1407 469.11,1408 314,1409 208,1410 355.845,1411 219.907,1412 363.156,1413 536.03,1414 345,1415 7.39}
{0 CHEMBL2064469,1 1.237,2 15.314,3 5.85,4 34.217,5 149.947,6 5.827,7 0.282,8 4.46,9 4.614,10 3.831,11 3.968,12 5.243,13 3.895,14 5.104,15 5.337,16 4.159,17 4.408,18 5.799,19 4.296,20 5.437,21 5.719,22 4.243,23 4.608,24 6.059,25 4.452,26 5.492,27 5.779,28 4.171,29 4.634,30 6.096,31 4.447,32 5.539,33 5.846,34 4.097,35 4.619,36 6.103,37 4.413,38 5.515,39 5.831,40 4.005,41 4.559,42 6.061,43 4.34,44 5.43,45 5.751,46 3.954,47 4.475,48 5.96,49 4.263,50 5.326,51 5.624,52 3.943,53 4.444,54 5.873,55 4.245,56 0.115,57 1.216,58 21.222,59 7.923,60 10.465,61 12.153,62 0.3,63 2.037,64 39.044,65 12.971,66 21.455,67 20.774,68 0.462,69 2.561,70 52.326,71 17.809,72 30.389,73 28.042,74 0.43,75 2.626,76 54.43,77 19.661,78 31.752,79 30.257,80 0.399,81 2.623,82 55.95,83 20.003,84 31.057,85 31.041,86 0.422,87 2.506,88 54.309,89 19.24,90 30.861,91 29.89,92 0.421,93 2.295,94 49.835,95 17.679,96 27.388,97 27.359,98 0.299,99 2.158,100 45.32,101 16.741,102 22.007,103 25.659,104 3,105 52,106 0.19,107 0.411,108 0.627,109 0.786,110 0.836,111 0.851,112 3.588,113 1.127,114 -4.78,115 -4.7,116 -4.41,121 36.6,122 1,123 10,127 9,129 1,144 4,145 2,146 1,148 2,176 12,180 9,185 2,187 13,191 1,192 6,195 1,197 2,200 8,205 1,206 3,209 1,211 4,214 11,219 3,224 2,227 12,232 5,235 1,239 8,243 2,244 6,251 2,256 5,261 1,269 5,281 2324,282 24.629,283 24.629,284 24.629,285 24.629,286 24.629,287 23.341,288 31.523,289 14.967,290 25.122,291 19.251,292 19.251,293 19.251,294 19.251,295 19.251,296 17.227,297 43.014,298 7.033,299 20.012,300 5.121,301 3.68,302 2.27,303 1.238,304 0.912,305 0.814,306 4.303,312 1,313 1189,314 3.742,318 518.16,322 307.053,325 2.537,326 12.998,329 1,330 0.67,331 0.83,332 1,333 1,334 1,335 1,336 0.93,337 72.5,338 536,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.8,346 11.348,347 3.162,348 3.914,349 3.083,350 6.126,351 3.773,352 2.829,353 3.437,354 0.8,355 8.972,356 2.672,357 3.829,358 2.979,359 5.982,360 3.577,361 2.656,362 2.894,363 0.8,364 8.37,365 2.512,366 3.657,367 2.669,368 5.492,369 3.524,370 2.532,371 2.829,372 0.4,373 7.39,374 2.446,375 3.519,376 2.579,377 5.381,378 3.173,379 2.245,380 2.654,382 6.714,383 2.092,384 3.22,385 2.336,386 5.129,387 3.086,388 2.143,389 2.223,391 6.373,392 2.011,393 2.938,394 1.995,395 4.472,396 2.862,397 1.892,398 2.141,400 4.566,401 1.829,402 2.893,403 1.691,404 4.116,405 2.518,406 1.532,407 1.893,409 3.392,410 1.509,411 2.615,412 1.474,413 3.933,414 2.345,415 1.348,416 1.652,418 3.329,419 1.343,420 2.49,421 1.407,422 3.611,423 2.324,424 1.347,425 1.49,427 2.925,428 1.315,429 2.362,430 1.35,431 3.594,432 2.242,433 1.258,434 1.359,436 2.902,437 1.24,438 2.274,439 1.35,440 3.549,441 2.222,442 1.247,443 1.272,445 2.814,446 1.208,447 2.048,448 1.149,449 3.414,450 2.015,451 1.042,452 1.046,454 2.275,455 1.011,456 2,457 1.146,458 3.373,459 2,460 1,461 1,463 2.23,464 1,465 2,466 1,467 3.247,468 1.967,469 1,470 1,472 2.136,473 0.965,474 17,475 0.486,476 0.53,477 0.015,478 33.25,479 0.95,480 10.5,481 0.3,482 22.75,483 0.65,484 43.617,485 1.246,486 40.6,487 0.495,488 20.413,489 0.583,490 5.399,491 0.154,492 11.915,493 0.34,494 0.029,496 0.247,501 1.046,502 1.589,503 1.059,504 1.31,505 0.919,506 1.206,507 1.603,508 1.256,509 1.149,510 1.095,511 1.032,512 1.089,513 1.337,514 0.983,515 1.039,516 0.945,517 0.986,518 0.966,519 1.038,520 1.085,521 1.078,522 1.09,523 1.025,524 1.087,525 1.049,526 1.008,527 1.005,528 0.997,529 1.072,530 0.998,531 1.032,532 0.974,533 0.999,534 0.979,535 1.009,536 0.985,537 0.992,538 0.867,539 0.931,540 0.887,541 0.845,542 0.902,543 0.919,544 1.06,545 1.002,546 1.048,547 0.824,548 1.034,549 4.5,550 0.173,551 3.333,552 1.75,553 1.453,554 0.688,555 0.603,556 0.345,557 0.172,558 0.194,559 22499,560 34364,561 2.176,562 57.3,563 12,564 23,567 1,568 2,569 7,570 2,572 1.76,573 2.121,574 3.806,575 -0.458,582 101.437,583 1.237,584 2.678,585 4.087,586 5.12,587 5.446,588 5.543,589 3.128,590 4.558,591 5.104,592 4.083,593 2429.5,594 8.916,595 41565.8,600 521.319,601 0.997,602 5.096,603 0.115,604 0.007,605 0.064,606 0.032,607 0.03,608 0.015,609 0.015,610 0.009,611 0.004,612 0.006,613 0.297,614 0.33,615 0.75,616 0.44,617 194.863,618 0.106,619 -0.232,620 0.09,621 -0.064,622 0.153,623 -0.001,624 -0.124,625 -0.05,626 -0.041,627 -0.026,628 0.05,629 -0.027,630 -0.027,631 0.087,632 0.002,633 0.049,634 0.093,635 0.031,636 0.014,637 -0.052,638 -0.068,639 -0.079,640 0.045,641 -0.08,642 -0.048,643 -0.032,644 -0.021,645 -0.02,646 -0.056,647 -0.019,648 -0.011,649 -0.017,650 -0.022,651 -0.022,652 -0.062,653 -0.023,654 0.047,655 0.08,656 0.044,657 0.06,658 0.015,659 0.053,660 -0.016,661 -0.069,662 -0.019,663 -0.043,664 -0.015,665 -0.033,666 0.519,667 1.991,668 0.743,669 42.606,670 0.976,671 1.137,672 3.554,673 12.634,674 0.622,675 3.689,676 3.97,677 4.263,678 4.522,679 4.771,680 4.787,681 4.92,682 5.017,683 5.106,684 5.118,685 9.273,686 0.563,687 477.82,688 3.689,689 5.209,690 6.057,691 6.919,692 7.782,693 8.652,694 9.523,695 10.398,696 11.273,697 12.152,698 6.1,701 3,703 1,708 1,714 2,715 4,716 1,720 3,722 11,734 1,741 82,743 11,744 1,745 39,747 86,748 30,749 9,750 2,751 4,756 5,757 8,763 1,767 10,770 11,772 9,773 21,793 47,794 5,795 1,796 5,802 5,808 0.6,822 1,829 5,833 2,855 3,859 3,864 1,868 35,876 19,877 1,880 1,881 3,901 16.5,902 14.467,903 7.889,904 5.988,907 2.38,908 1.284,909 0.981,910 9.074,911 10.772,912 3.818,913 4.297,914 4.84,915 5.394,916 5.959,917 6.256,918 6.626,919 6.965,920 7.264,921 7.136,922 0.9,923 55,924 13.096,926 5.46,927 0.026,929 7.205,931 27.119,933 23.384,936 1.705,937 59.667,941 541.471,942 104.443,943 44.169,948 104.443,949 541.471,950 44.169,951 8.825,952 44.297,953 37.905,954 34.796,955 22.789,957 541.471,959 541.471,960 148.612,964 435.531,965 105.94,968 67.396,969 46.42,970 34.796,972 541.471,973 44.169,974 104.443,977 541.471,978 57.713,979 56.103,980 18.011,981 16.786,982 541.471,983 44.169,984 104.443,986 0.564,987 0.338,988 0.191,989 0.105,990 24,991 9,992 0.116,993 10,994 2,995 1.154,996 4.823,997 319.604,998 0.154,999 26,1000 171.525,1005 25.144,1006 12.632,1007 6.435,1008 2.446,1009 44.169,1010 8.678,1011 4.991,1015 4.174,1017 18.011,1018 690.083,1019 44.5,1031 80.065,1032 93.211,1034 0.195,1035 0.421,1036 0.643,1037 0.805,1038 0.857,1039 0.872,1040 5.061,1041 1.532,1042 5.999,1043 4.566,1044 4.654,1045 4.984,1046 1.435,1047 6.777,1048 4.579,1049 6.18,1050 1.348,1051 7.527,1052 3.392,1053 4.007,1054 4.663,1055 0.766,1056 7.627,1057 3.865,1058 7.448,1059 1.347,1060 9.161,1061 3.329,1062 6.201,1063 7.067,1064 0.889,1065 10.753,1066 6.048,1067 8.754,1068 1.258,1069 10.864,1070 2.925,1071 6.463,1072 7.735,1073 0.653,1074 12.509,1075 6.256,1076 10.106,1077 1.247,1078 12.612,1079 2.902,1080 8.039,1081 9.594,1082 0.598,1083 15.137,1084 7.821,1085 11.49,1086 1.042,1087 14.393,1088 2.814,1089 8.746,1090 10.726,1091 0.482,1092 17.264,1093 8.492,1094 12.899,1095 1,1096 16.197,1097 2.275,1098 10.058,1099 12.377,1100 0.411,1101 19.741,1102 9.79,1103 3.226,1104 1,1105 18.018,1106 2.23,1107 10.989,1108 13.724,1109 0.337,1110 22.03,1111 10.697,1112 2.829,1113 11.348,1114 19.854,1115 2.136,1116 12.191,1117 15.293,1118 0.28,1119 24.463,1120 11.885,1121 2.656,1122 8.972,1123 21.7,1124 4.564,1125 13.234,1126 16.735,1127 0.229,1128 26.824,1129 12.91,1130 2.532,1131 8.37,1132 23.556,1133 3.437,1134 14.395,1135 18.273,1136 0.188,1137 29.246,1138 14.057,1139 2.245,1140 7.39,1141 25.419,1142 2.894,1143 15.494,1144 19.757,1145 0.153,1146 31.641,1147 15.141,1148 2.143,1149 6.714,1150 27.29,1151 2.829,1152 16.644,1153 21.282,1154 0.124,1155 34.063,1156 16.277,1157 1.892,1158 6.373,1159 29.166,1160 2.654,1161 17.77,1162 22.784,1163 0.1,1164 36.474,1165 17.39,1166 20712,1167 25848,1168 27.216,1169 51.018,1170 56.817,1171 56.987,1172 58.113,1173 56.957,1174 56.896,1175 65.425,1176 5.6,1177 156.563,1178 54.858,1179 5.64,1180 5.361,1181 6.631,1182 5.274,1183 5.226,1184 7.564,1185 1.2,1186 18.879,1187 5.162,1188 8.432,1189 1.457,1190 1.461,1191 1.49,1192 1.46,1193 1.459,1194 1.678,1195 0.144,1196 4.014,1197 1.407,1198 4.117,1199 4.15,1200 4.075,1201 4.042,1202 4.973,1203 4.046,1204 3.926,1205 3.992,1206 3.8,1207 3.783,1208 4.437,1209 3.776,1210 3.842,1211 3.914,1212 3.717,1213 3.66,1214 4.402,1215 3.664,1216 3.732,1217 3.781,1218 3.617,1219 3.647,1220 4.336,1221 3.635,1222 3.624,1223 3.702,1224 3.463,1225 3.45,1226 4.193,1227 3.443,1228 3.501,1229 3.588,1230 3.343,1231 3.305,1232 4.083,1233 3.301,1234 3.367,1235 3.453,1236 3.181,1237 3.2,1238 3.979,1239 3.183,1240 3.214,1241 3.281,1242 3.065,1243 3.076,1244 3.907,1245 3.062,1246 0.119,1247 0.086,1248 0.175,1249 0.108,1250 0.083,1251 4.64,1252 0.117,1253 3.361,1254 0.021,1255 6.829,1256 0.291,1257 4.207,1258 0.081,1259 3.226,1260 4.564,1261 0.8,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.158,1267 2.163,1268 1.496,1269 2.163,1270 1.892,1271 1.833,1272 2.108,1273 2.064,1274 1.435,1275 2.079,1276 1.806,1277 1.733,1278 2.019,1279 2.021,1280 1.355,1281 2.029,1282 1.754,1283 1.709,1284 1.949,1285 1.872,1286 1.2,1287 1.902,1288 1.621,1289 1.545,1290 1.884,1291 1.828,1292 1.148,1293 1.853,1294 1.487,1295 1.404,1296 1.776,1297 1.721,1298 1.017,1299 1.742,1300 1.383,1301 1.302,1302 1.688,1303 1.601,1304 0.945,1305 1.638,1306 1.218,1307 1.158,1308 1.513,1309 1.394,1310 0.825,1311 1.429,1312 4.369,1314 5.659,1316 7.163,1318 8.766,1320 10.424,1322 2.353,1328 24.186,1329 3.858,1332 0.862,1333 8.119,1340 46.17,1341 101.437,1342 219.558,1343 335.141,1344 419.835,1345 446.564,1346 454.564,1347 50.158,1348 8.391,1349 34.64,1350 34.64,1351 30,1352 12.69,1353 3.585,1354 2.7,1355 52.717,1356 200,1357 181,1358 0.125,1359 280.908,1360 485.76,1361 677.176,1362 68016,1364 23.874,1365 0.682,1366 0.632,1367 23.874,1368 22.111,1369 17.314,1370 0.444,1371 0.376,1372 14.518,1373 16.864,1374 14.216,1375 11.725,1376 17.314,1377 14.647,1378 14.631,1379 0.281,1380 0.212,1381 14.631,1382 11.02,1383 12.785,1384 0.183,1385 0.125,1386 12.785,1387 8.781,1388 10.818,1389 0.119,1390 0.074,1391 10.818,1392 6.692,1393 9.06,1394 0.077,1395 0.043,1396 9.06,1397 5.03,1398 0.207,1399 106.546,1400 0.192,1401 33.158,1402 0.318,1403 182,1404 334.913,1405 192.352,1406 331.151,1407 476.19,1408 318,1409 213,1410 363.197,1411 225.073,1412 368.412,1413 546.23,1414 352,1415 6.712}
{0 CHEMBL2064470,1 1.277,2 15.265,3 5.315,4 28.244,5 144.684,6 6.27,7 0.447,8 4.356,9 4.502,10 3.795,11 3.888,12 5.237,13 3.83,14 4.958,15 5.177,16 4.117,17 4.306,18 5.745,19 4.216,20 5.254,21 5.514,22 4.189,23 4.492,24 5.974,25 4.358,26 5.326,27 5.6,28 4.095,29 4.504,30 6.005,31 4.334,32 5.356,33 5.652,34 4.013,35 4.473,36 5.988,37 4.287,38 5.31,39 5.611,40 3.929,41 4.409,42 5.926,43 4.216,44 5.234,45 5.533,46 3.887,47 4.348,48 5.841,49 4.157,50 5.174,51 5.465,52 3.872,53 4.32,54 5.786,55 4.136,56 0.093,57 1.094,58 17.95,59 6.828,60 11.167,61 10.244,62 0.269,63 1.824,64 33.075,65 10.998,66 21.956,67 17.236,68 0.392,69 2.276,70 44.051,71 15.344,72 30.875,73 23.579,74 0.38,75 2.345,76 46.875,77 17.046,78 32.957,79 25.864,80 0.356,81 2.325,82 48.118,83 17.134,84 32.516,85 26.304,86 0.377,87 2.203,88 46.004,89 16.258,90 31.012,91 24.962,92 0.354,93 2.042,94 42.47,95 15.516,96 27.561,97 23.506,98 0.262,99 1.942,100 39.846,101 14.881,102 23.879,103 22.495,104 2,105 51,106 0.199,107 0.468,108 0.644,109 0.786,110 0.839,111 0.856,112 3.56,113 1.037,114 -4.62,115 -4.54,116 -4.27,121 39.7,123 5,126 1,127 8,144 9,145 2,146 2,148 2,176 12,180 8,185 2,187 13,191 1,192 6,195 1,197 2,200 8,205 1,206 3,209 1,211 4,214 8,219 3,224 2,227 10,232 4,235 1,239 7,243 2,244 6,251 2,256 5,261 1,269 4,281 2160,282 23.758,283 23.758,284 23.758,285 23.758,286 23.758,287 21.744,288 29.942,289 14.447,290 24.216,291 18.813,292 18.813,293 18.813,294 18.813,295 18.813,296 15.769,297 41.247,298 6.884,299 19.547,300 4.913,301 3.188,302 2.055,303 1.145,304 0.805,305 0.695,306 4.275,312 1,313 1156,314 3.606,318 496.923,322 293.318,325 2.571,326 12.926,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 70.5,338 519,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.8,346 11.348,347 3.162,348 4.046,349 3.033,350 6.018,351 3.733,352 2.786,353 3.537,354 0.8,355 8.538,356 2.639,357 3.914,358 2.975,359 5.982,360 3.577,361 2.655,362 3.437,363 0.8,364 8.37,365 2.512,366 3.66,367 2.669,368 5.492,369 3.524,370 2.532,371 2.894,372 0.4,373 7.39,374 2.446,375 3.519,376 2.579,377 5.381,378 3.173,379 2.245,380 2.657,382 6.714,383 2.092,384 3.237,385 2.336,386 5.129,387 3.086,388 2.143,389 2.343,391 6.373,392 2.01,393 3.131,394 1.948,395 4.313,396 2.807,397 1.838,398 2.21,400 4.274,401 1.775,402 2.938,403 1.691,404 4.116,405 2.518,406 1.532,407 2.141,409 3.391,410 1.509,411 2.617,412 1.473,413 3.933,414 2.345,415 1.347,416 1.653,418 3.329,419 1.343,420 2.557,421 1.407,422 3.61,423 2.324,424 1.347,425 1.569,427 2.925,428 1.315,429 2.5,430 1.35,431 3.594,432 2.242,433 1.254,434 1.5,436 2.902,437 1.24,438 2.49,439 1.35,440 3.549,441 2.216,442 1.247,443 1.489,445 2.811,446 1.202,447 2.329,448 1.146,449 3.414,450 2,451 1,452 1.323,454 2.275,455 1,456 2,457 1.004,458 3.317,459 1.967,460 1,461 1,463 2.136,464 0.965,465 1.984,466 1,467 3.247,468 1.836,469 0.87,470 0.952,472 2.003,473 0.839,474 16.5,475 0.485,476 0.568,477 0.017,478 39.25,479 1.154,480 17,481 0.5,482 22.25,483 0.654,484 34.63,485 1.019,486 37.5,487 0.514,488 26.764,489 0.787,490 7.351,491 0.216,492 9.425,493 0.277,494 0.03,496 0.255,501 1.033,502 1.502,503 0.965,504 1.206,505 0.873,506 1.102,507 1.654,508 1.157,509 1.092,510 0.988,511 1.002,512 0.994,513 1.284,514 1.014,515 1.05,516 0.977,517 0.992,518 0.992,519 1.037,520 1.081,521 1.081,522 1.091,523 1.069,524 1.09,525 1.102,526 1.004,527 1.018,528 0.991,529 1.098,530 0.996,531 1.12,532 0.959,533 1.033,534 0.977,535 1.035,536 0.994,537 0.92,538 0.931,539 0.974,540 0.967,541 0.857,542 0.973,543 0.876,544 1.029,545 0.967,546 1.018,547 0.833,548 1.003,549 4.5,550 0.173,551 3.333,552 1.75,553 1.453,554 0.66,555 0.563,556 0.345,557 0.16,558 0.179,559 21054,560 38526,561 2.182,562 53.4,563 6,564 28,567 1,568 2,570 2,572 1.752,573 2.125,574 3.804,575 -0.45,582 93.235,583 1.277,584 3.002,585 4.135,586 5.045,587 5.385,588 5.495,589 3.149,590 4.197,591 5.06,592 4.078,593 2287.69,594 8.828,595 38197.4,600 451.857,601 1.012,602 5.053,603 0.118,604 0.007,605 0.065,606 0.033,607 0.032,608 0.016,609 0.015,610 0.009,611 0.004,612 0.005,613 0.305,614 0.33,615 0.88,616 0.299,617 187.704,618 0.088,619 -0.237,620 0.087,621 -0.069,622 0.14,623 -0.004,624 -0.174,625 0.018,626 -0.035,627 0.024,628 0.023,629 0.009,630 -0.03,631 0.055,632 -0.03,633 0.011,634 0.05,635 -0.006,636 0.011,637 -0.067,638 -0.086,639 -0.1,640 -0.023,641 -0.1,642 -0.068,643 -0.034,644 -0.032,645 -0.024,646 -0.102,647 -0.025,648 -0.049,649 0.007,650 -0.046,651 -0.02,652 -0.11,653 -0.03,654 0.058,655 0.026,656 0.006,657 0.003,658 -0.016,660 0.002,661 -0.068,662 0.007,663 -0.027,664 -0.017,665 -0.013,666 0.53,667 1.976,668 0.765,669 41.827,670 0.98,671 1.131,672 3.39,673 11.491,674 0.643,675 3.664,676 3.951,677 4.234,678 4.489,679 4.745,680 4.762,681 4.89,682 4.99,683 5.094,684 5.094,685 9.148,686 0.59,687 457.73,688 3.664,689 5.187,690 6.033,691 6.895,692 7.757,693 8.626,694 9.496,695 10.371,696 11.246,697 12.125,698 6.8,701 2,703 1,704 1,708 1,714 2,715 9,716 1,720 4,722 17,734 1,736 1,741 73,743 17,744 2,745 38,747 77,748 29,749 15,750 3,751 9,756 5,757 8,767 4,770 5,772 15,773 14,793 39,794 5,795 1,796 5,802 5,808 0.6,822 1,829 5,833 2,855 2,859 3,864 1,868 34,876 13,877 1,881 3,901 16,902 13.05,903 7.556,904 4.849,907 3.14,908 1.376,909 1.002,910 7.874,911 11.49,912 3.861,913 4.394,914 4.965,915 5.53,916 6.098,917 6.321,918 6.677,919 6.992,920 7.289,921 7.17,922 0.9,923 53,924 12.643,926 5.26,927 0.026,929 7.294,931 25.664,933 21.679,936 1.794,937 61,941 447.302,942 139.374,943 44.169,948 139.374,949 447.302,950 44.169,951 8.396,952 29.518,953 85.286,954 34.796,955 25.546,957 447.302,959 447.302,960 183.543,964 423.76,965 23.542,968 40.668,969 108.079,970 34.796,972 447.302,973 44.169,974 139.374,977 447.302,978 45.691,979 103.056,980 18.011,981 16.786,982 447.302,983 44.169,984 139.374,986 0.568,987 0.335,988 0.186,989 0.104,990 24,991 9,992 0.117,993 9,994 2,995 1.154,996 4.764,997 307.269,998 0.154,999 26,1000 164.974,1005 23.444,1006 11.419,1007 5.865,1008 2.422,1009 44.169,1010 19.334,1011 4.976,1015 5.443,1017 18.011,1018 630.845,1019 46.5,1031 71.53,1032 82.55,1034 0.206,1035 0.485,1036 0.668,1037 0.815,1038 0.87,1039 0.888,1040 5.089,1041 1.532,1042 5.979,1043 4.274,1044 4.635,1045 5.081,1046 1.435,1047 6.753,1048 4.56,1049 6.237,1050 1.347,1051 7.506,1052 3.391,1053 4.007,1054 4.732,1055 0.766,1056 7.591,1057 3.865,1058 7.512,1059 1.347,1060 9.139,1061 3.329,1062 6.18,1063 7.219,1064 0.889,1065 10.719,1066 6.03,1067 8.826,1068 1.254,1069 10.84,1070 2.925,1071 6.447,1072 7.816,1073 0.653,1074 12.464,1075 6.243,1076 10.182,1077 1.247,1078 12.587,1079 2.902,1080 8.017,1081 9.74,1082 0.598,1083 15.097,1084 7.804,1085 11.568,1086 1,1087 14.366,1088 2.811,1089 8.724,1090 10.803,1091 0.482,1092 17.221,1093 8.475,1094 12.978,1095 1,1096 16.168,1097 2.275,1098 10.034,1099 12.488,1100 0.411,1101 19.702,1102 9.773,1103 3.226,1104 0.87,1105 17.988,1106 2.136,1107 10.964,1108 13.785,1109 0.337,1110 21.993,1111 10.68,1112 2.786,1113 11.348,1114 19.822,1115 2.003,1116 12.165,1117 15.368,1118 0.28,1119 24.43,1120 11.868,1121 2.655,1122 8.538,1123 21.667,1124 4.564,1125 13.208,1126 16.779,1127 0.229,1128 26.795,1129 12.894,1130 2.532,1131 8.37,1132 23.522,1133 3.537,1134 14.369,1135 18.32,1136 0.188,1137 29.222,1138 14.042,1139 2.245,1140 7.39,1141 25.385,1142 3.437,1143 15.468,1144 19.786,1145 0.153,1146 31.62,1147 15.127,1148 2.143,1149 6.714,1150 27.256,1151 2.894,1152 16.619,1153 21.31,1154 0.124,1155 34.045,1156 16.264,1157 1.838,1158 6.373,1159 29.133,1160 2.657,1161 17.747,1162 22.803,1163 0.1,1164 36.459,1165 17.378,1166 19310,1167 26238,1168 26.523,1169 46.972,1170 55.977,1171 55.812,1172 56.662,1173 55.868,1174 55.79,1175 68.496,1176 5.6,1177 153.703,1178 53.784,1179 5.64,1180 5.361,1181 6.631,1182 5.274,1183 5.226,1184 7.564,1185 1.2,1186 18.879,1187 5.162,1188 8.11,1189 1.473,1190 1.469,1191 1.491,1192 1.47,1193 1.468,1194 1.803,1195 0.147,1196 4.045,1197 1.415,1198 4.116,1199 4.149,1200 4.075,1201 4.042,1202 4.973,1203 4.046,1204 3.933,1205 3.985,1206 3.854,1207 3.841,1208 4.768,1209 3.838,1210 3.85,1211 3.914,1212 3.738,1213 3.667,1214 4.425,1215 3.673,1216 3.732,1217 3.781,1218 3.617,1219 3.647,1220 4.389,1221 3.635,1222 3.602,1223 3.678,1224 3.453,1225 3.429,1226 4.215,1227 3.424,1228 3.464,1229 3.548,1230 3.313,1231 3.272,1232 4.144,1233 3.27,1234 3.264,1235 3.35,1236 3.12,1237 3.102,1238 3.977,1239 3.096,1240 3.185,1241 3.261,1242 3.033,1243 2.999,1244 3.865,1245 2.992,1246 0.122,1247 0.088,1248 0.18,1249 0.111,1250 0.085,1251 4.64,1252 0.12,1253 3.361,1254 0.021,1255 6.829,1256 0.299,1257 4.207,1258 0.083,1259 3.226,1260 4.564,1261 0.8,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.158,1267 2.163,1268 1.435,1269 2.163,1270 1.903,1271 1.868,1272 2.046,1273 2.048,1274 1.359,1275 2.052,1276 1.806,1277 1.734,1278 2.004,1279 1.998,1280 1.21,1281 2.005,1282 1.754,1283 1.709,1284 1.949,1285 1.872,1286 1.15,1287 1.902,1288 1.594,1289 1.521,1290 1.846,1291 1.796,1292 1.055,1293 1.817,1294 1.444,1295 1.365,1296 1.713,1297 1.677,1298 0.973,1299 1.695,1300 1.253,1301 1.181,1302 1.579,1303 1.496,1304 0.825,1305 1.528,1306 1.192,1307 1.11,1308 1.513,1309 1.376,1310 0.754,1311 1.429,1312 4.344,1314 5.638,1316 7.143,1318 8.745,1320 10.402,1322 2.198,1328 15.172,1329 3.836,1333 7.619,1340 43.063,1341 93.235,1342 219.162,1343 301.844,1344 368.273,1345 393.102,1346 401.102,1347 44.39,1348 8.35,1349 34.64,1350 34.64,1351 30,1352 12.663,1353 4.17,1354 3.248,1355 50.517,1356 191,1357 184,1358 0.126,1359 262.534,1360 449.64,1361 632.342,1362 64958,1364 23.167,1365 0.681,1366 0.608,1367 23.167,1368 20.677,1369 16.776,1370 0.441,1371 0.346,1372 12.999,1373 16.326,1374 12.693,1375 10.489,1376 16.776,1377 13.13,1378 14.44,1379 0.283,1380 0.193,1381 14.44,1382 9.857,1383 12.484,1384 0.184,1385 0.111,1386 12.484,1387 7.529,1388 10.438,1389 0.119,1390 0.062,1391 10.438,1392 5.493,1393 8.784,1394 0.077,1395 0.036,1396 8.784,1397 4.048,1398 0.208,1399 103.403,1400 0.194,1401 32.441,1402 0.319,1403 178,1404 362.913,1405 188.019,1406 362.101,1407 517.52,1408 346,1409 208,1410 393.197,1411 219.907,1412 402.751,1413 590.96,1414 382,1415 7.097}
{0 CHEMBL2064471,1 1.377,2 18.844,3 5.583,4 31.172,5 183.668,6 6.586,7 0.431,8 4.601,9 4.742,10 4.077,11 4.142,12 5.516,13 4.095,14 5.207,15 5.413,16 4.429,17 4.578,18 6.055,19 4.498,20 5.526,21 5.782,22 4.536,23 4.754,24 6.329,25 4.643,26 5.549,27 5.798,28 4.48,29 4.751,30 6.386,31 4.624,32 5.574,33 5.839,34 4.398,35 4.749,36 6.34,37 4.601,38 5.593,39 5.871,40 4.297,41 4.728,42 6.296,43 4.554,44 5.577,45 5.874,46 4.201,47 4.649,48 6.275,49 4.458,50 5.462,51 5.758,52 4.13,53 4.551,54 6.138,55 4.37,56 0.101,57 1.403,58 21.842,59 8.553,60 10.738,61 12.506,62 0.347,63 2.36,64 41.344,65 14.494,66 26.657,67 21.965,68 0.564,69 2.982,70 57.971,71 19.649,72 47.086,73 29.865,74 0.646,75 3,76 59.441,77 20.285,78 62.641,79 30.503,80 0.597,81 3.007,82 60.966,83 20.813,84 55.506,85 31.611,86 0.521,87 2.994,88 61.869,89 21.81,90 47.868,91 33.039,92 0.659,93 2.833,94 61.436,95 21.628,96 59.973,97 32.567,98 0.483,99 2.527,100 54.538,101 19.259,102 46.759,103 29.191,104 2,105 70,106 0.203,107 0.48,108 0.633,109 0.761,110 0.798,111 0.805,112 3.831,113 1.014,114 -4,115 -3.95,116 -3.75,121 40.2,123 9,127 9,144 8,145 4,146 2,148 4,160 1,176 16,179 1,180 10,185 5,187 18,191 1,192 8,195 1,196 1,197 4,200 12,206 4,209 4,211 8,214 12,218 1,219 3,224 7,227 16,232 2,235 1,237 2,239 12,243 1,244 4,247 4,249 4,251 6,256 4,259 1,261 3,264 2,269 7,277 4,281 4714,282 31.603,283 31.603,284 31.603,285 31.603,286 31.603,287 28.898,288 36.657,289 19.117,290 32.108,291 25.267,292 25.267,293 25.267,294 25.267,295 25.267,296 20.946,297 43.468,298 9.108,299 26.059,300 5.146,301 3.272,302 2.229,303 1.364,304 1.109,305 1.065,306 4.56,312 1,313 1924,314 4.243,318 880.013,322 835.686,325 3.127,326 29.794,329 0.75,330 0.5,331 0.67,332 0.9,333 0.5,334 0.67,335 0.5,336 0.64,337 94.5,338 848,339 4.64,340 3.718,341 6.829,342 4.207,343 3.226,344 4.564,345 1.94,346 11.348,347 3.162,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 4.564,354 0.8,355 11.348,356 3.162,357 3.961,358 3.361,359 6.029,360 3.775,361 2.822,362 3.437,363 0.555,364 8.588,365 2.688,366 3.914,367 2.855,368 5.982,369 3.524,370 2.532,371 3.437,372 0.4,373 8.37,374 2.512,375 3.914,376 2.669,377 5.982,378 3.524,379 2.532,380 3.11,381 0.4,382 8.37,383 2.512,384 3.533,385 2.668,386 5.385,387 3.345,388 2.408,389 2.893,390 0.4,391 6.876,392 2.249,393 3.522,394 2.363,395 5.381,396 3.133,397 2.181,398 2.893,400 6.711,401 2.075,402 3.445,403 2.35,404 5.309,405 3.115,406 2.162,407 2.472,409 6.692,410 2.059,411 2.94,412 2.193,413 4.233,414 2.737,415 1.797,416 2.142,418 4.069,419 1.686,420 2.938,421 2.025,422 4.116,423 2.528,424 1.548,425 2.142,427 3.536,428 1.515,429 2.824,430 1.684,431 4.116,432 2.515,433 1.528,434 1.832,436 3.378,437 1.506,438 2.661,439 1.653,440 3.963,441 2.463,442 1.48,443 1.679,445 3.329,446 1.445,447 2.605,448 1.468,449 3.929,450 2.345,451 1.347,452 1.636,454 3.329,455 1.343,456 2.563,457 1.465,458 3.699,459 2.345,460 1.347,461 1.555,463 3.192,464 1.343,465 2.49,466 1.391,467 3.604,468 2.242,469 1.271,470 1.489,472 2.902,473 1.24,474 21.633,475 0.481,476 0.774,477 0.017,478 52.25,479 1.161,480 22.5,481 0.5,482 29.75,483 0.661,484 50.152,485 1.114,486 49.167,487 0.534,488 39.611,489 0.88,490 9.489,491 0.211,492 12.754,493 0.283,494 0.015,496 0.291,501 0.878,502 1.404,503 0.907,504 1.14,505 0.595,506 1.041,507 1.06,508 1.212,509 1.021,510 1.054,511 0.662,512 1.028,513 1.123,514 0.976,515 0.954,516 0.91,517 0.962,518 0.91,519 1.273,520 1.079,521 1.105,522 1.057,523 1.449,524 1.067,525 1.233,526 1.036,527 1.118,528 1.028,529 1.242,530 1.056,531 0.989,532 1.055,533 1.107,534 1.094,535 0.865,536 1.106,537 0.891,538 0.923,539 1.01,540 0.997,541 0.974,542 1.015,543 0.88,544 0.976,545 0.949,546 0.974,547 0.869,548 0.971,549 5.5,550 0.322,551 4.667,552 2.75,553 2.502,554 1.007,555 0.722,556 0.417,557 0.197,558 0.219,559 49861,560 96438,561 2.214,562 51.1,563 12,564 26,567 3,568 6,572 1.818,573 2.16,574 4.057,575 0.638,582 126.701,583 1.377,584 3.252,585 4.295,586 5.159,587 5.415,588 5.458,589 3.315,590 4.87,591 5.472,592 4.4,593 4356.04,594 9.633,595 94229.6,600 600.168,601 1.01,602 5.459,603 0.108,604 0.007,605 0.067,606 0.036,607 0.036,608 0.016,609 0.013,610 0.009,611 0.004,612 0.005,613 0.301,614 0.33,615 0.63,616 0.244,617 272.729,619 -0.147,620 0.075,621 -0.017,622 0.039,623 0.027,624 -0.028,625 -0.051,626 -0.021,627 -0.021,628 0.027,629 -0.019,630 -0.009,631 0.077,632 0.052,633 0.071,634 0.006,635 0.069,636 -0.024,637 -0.036,638 -0.093,639 -0.071,640 -0.063,641 -0.088,642 -0.113,643 -0.019,644 -0.117,645 -0.047,646 -0.123,647 -0.077,648 -0.075,649 -0.07,650 -0.123,651 -0.11,652 -0.086,653 -0.119,654 0.08,655 0.012,656 -0.023,657 -0.03,658 -0.009,659 -0.038,660 0.034,661 -0.046,662 0.033,663 0.001,664 0.025,665 0.014,666 1.405,667 5.952,668 0.756,669 64.75,670 0.986,671 1.13,672 2.771,673 7.678,674 0.649,675 3.951,676 4.263,677 4.585,678 4.883,679 5.17,680 5.242,681 5.375,682 5.476,683 5.557,684 5.501,685 11.764,686 0.602,687 605.91,688 3.951,689 5.493,690 6.358,691 7.238,692 8.12,693 9.009,694 9.899,695 10.792,696 11.685,697 12.581,698 7.6,700 1,701 1,703 2,705 1,708 2,714 4,715 8,716 2,720 6,722 22,734 2,741 92,743 23,744 2,745 51,747 98,748 37,749 18,750 4,751 8,756 7,757 13,767 8,770 9,772 19,773 18,777 1,782 1,786 1,793 47,794 8,795 3,796 8,802 7,808 0.429,809 1,822 2,829 7,833 4,844 1,853 1,855 1,859 3,868 45,876 18,877 3,881 2,893 1.1,896 1,901 20.833,902 16.133,903 9.917,904 6.292,907 4.626,908 1.48,909 1.024,910 9.767,911 14.258,912 4.159,913 4.736,914 5.357,915 5.969,916 6.576,917 6.903,918 7.28,919 7.621,920 7.921,921 7.767,922 0.917,923 76,924 16.796,926 7.196,927 0.026,929 7.407,931 33.719,933 29.048,936 1.907,937 85.833,941 517.928,942 149.109,943 93.852,945 25.145,948 149.109,949 543.073,950 93.852,952 44.886,953 93.821,954 99.442,955 29.957,957 517.928,959 517.928,960 242.961,961 25.145,964 517.928,965 25.145,968 75.823,969 97.545,970 69.593,972 517.928,973 118.997,974 149.109,977 517.928,978 73.299,979 82.059,980 54.032,981 58.716,982 517.928,983 118.997,984 149.109,986 0.571,987 0.343,988 0.198,989 0.114,990 34,991 13,992 0.112,993 11,994 4,995 1.235,996 5.703,997 460.109,998 0.235,999 34,1000 243.133,1005 30.409,1006 14.453,1007 6.963,1008 4.631,1009 118.997,1010 16.992,1011 9.921,1015 7.911,1017 54.032,1018 786.034,1019 63,1024 12.952,1028 0.261,1031 90.712,1032 104.002,1034 0.211,1035 0.498,1036 0.658,1037 0.791,1038 0.83,1039 0.837,1040 5.405,1041 2.162,1042 6.315,1043 6.711,1044 4.949,1045 5.425,1046 2.263,1047 7.13,1048 4.89,1049 6.575,1050 1.797,1051 7.866,1052 6.692,1053 4.369,1054 5.231,1055 1.738,1056 8.044,1057 4.285,1058 7.876,1059 1.548,1060 9.525,1061 4.069,1062 6.529,1063 7.644,1064 2.999,1065 11.2,1066 6.416,1067 9.217,1068 1.528,1069 11.253,1070 3.536,1071 6.858,1072 8.378,1073 3.144,1074 13.005,1075 6.725,1076 10.602,1077 1.48,1078 13.026,1079 3.378,1080 8.415,1081 10.245,1082 4.136,1083 15.664,1084 8.257,1085 12.015,1086 1.347,1087 14.83,1088 3.329,1089 9.182,1090 11.403,1091 4.541,1092 17.824,1093 9.008,1094 13.451,1095 1.347,1096 16.656,1097 3.329,1098 10.49,1099 13.059,1100 5.383,1101 20.326,1102 10.294,1103 3.226,1104 1.271,1105 18.498,1106 3.192,1107 11.468,1108 14.413,1109 5.912,1110 22.636,1111 11.256,1112 3.226,1113 11.348,1114 20.352,1115 2.902,1116 12.677,1117 15.985,1118 6.67,1119 25.086,1120 12.445,1121 2.822,1122 11.348,1123 22.216,1124 4.564,1125 13.754,1126 17.429,1127 7.263,1128 27.461,1129 13.504,1130 2.532,1131 8.588,1132 24.088,1133 4.564,1134 14.928,1135 18.966,1136 7.976,1137 29.895,1138 14.659,1139 2.532,1140 8.37,1141 25.966,1142 3.437,1143 16.05,1144 20.45,1145 8.602,1146 32.299,1147 15.763,1148 2.408,1149 8.37,1150 27.85,1151 3.437,1152 17.213,1153 21.975,1154 9.292,1155 34.728,1156 16.907,1157 2.181,1158 6.876,1159 29.739,1160 3.11,1161 18.358,1162 23.478,1163 9.936,1164 37.145,1165 18.033,1166 44465,1167 62012,1168 35.77,1169 59.722,1170 75.507,1171 76.932,1172 76.942,1173 75.493,1174 75.485,1175 93.583,1176 8.992,1177 213.407,1178 73.303,1179 5.64,1180 5.718,1181 6.651,1182 5.274,1183 5.226,1184 7.564,1185 3.348,1186 18.879,1187 5.162,1188 9.392,1189 1.481,1190 1.508,1191 1.509,1192 1.48,1193 1.48,1194 1.835,1195 0.176,1196 4.184,1197 1.437,1198 4.139,1199 4.172,1200 4.095,1201 4.062,1202 7.427,1203 4.066,1204 4.089,1205 4.118,1206 4.052,1207 4.018,1208 4.991,1209 4.023,1210 3.877,1211 3.944,1212 3.777,1213 3.676,1214 4.954,1215 3.69,1216 3.733,1217 3.782,1218 3.618,1219 3.649,1220 4.423,1221 3.636,1222 3.732,1223 3.78,1224 3.617,1225 3.648,1226 4.414,1227 3.635,1228 3.68,1229 3.76,1230 3.542,1231 3.476,1232 4.368,1233 3.48,1234 3.532,1235 3.608,1236 3.401,1237 3.327,1238 4.322,1239 3.332,1240 3.416,1241 3.494,1242 3.269,1243 3.239,1244 4.169,1245 3.235,1246 0.091,1247 0.073,1248 0.134,1249 0.082,1250 0.063,1251 4.64,1252 0.089,1253 3.718,1254 0.038,1255 6.829,1256 0.223,1257 4.207,1258 0.062,1259 3.226,1260 4.564,1261 1.94,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.158,1267 2.163,1268 1.435,1269 2.163,1270 2.072,1271 2.046,1272 2.158,1273 2.163,1274 1.434,1275 2.163,1276 1.804,1277 1.737,1278 2.002,1279 2.034,1280 1.321,1281 2.029,1282 1.754,1283 1.709,1284 1.949,1285 1.883,1286 1.175,1287 1.903,1288 1.754,1289 1.709,1290 1.949,1291 1.872,1292 1.152,1293 1.902,1294 1.644,1295 1.569,1296 1.885,1297 1.871,1298 1.126,1299 1.888,1300 1.494,1301 1.421,1302 1.742,1303 1.733,1304 1.004,1305 1.739,1306 1.402,1307 1.33,1308 1.675,1309 1.626,1310 0.949,1311 1.646,1312 4.635,1314 5.948,1316 7.476,1318 9.109,1320 10.801,1328 17.633,1329 11,1333 4.532,1340 55.401,1341 126.701,1342 299.157,1343 395.135,1344 474.658,1345 498.168,1346 502.168,1347 71.082,1348 9.633,1349 85.42,1350 85.42,1351 42,1352 13.107,1353 4.585,1354 3.7,1355 63.004,1356 330,1357 218,1358 0.089,1359 333.288,1360 575.29,1361 804.983,1362 358704,1364 30.426,1365 0.676,1366 0.59,1367 30.426,1368 26.544,1369 22.242,1370 0.436,1371 0.338,1372 17.072,1373 21.633,1374 16.777,1375 13.768,1376 22.242,1377 17.24,1378 19.313,1379 0.276,1380 0.184,1381 19.313,1382 12.849,1383 17.075,1384 0.176,1385 0.102,1386 17.075,1387 9.913,1388 14.763,1389 0.113,1390 0.057,1391 14.763,1392 7.463,1393 12.742,1394 0.073,1395 0.032,1396 12.742,1397 5.662,1398 0.149,1399 137.443,1400 0.167,1401 40.898,1402 0.22,1403 242,1404 537.315,1405 257.647,1406 529.243,1407 752.14,1408 504,1409 288,1410 570.707,1411 305.258,1412 578.037,1413 857.86,1414 552,1415 8.348}
{0 CHEMBL2069132,1 1.296,2 3.583,3 1.427,4 2.035,5 45.263,6 6.394,8 3.326,9 3.444,10 2.763,11 2.904,12 4.299,13 2.84,14 3.987,15 4.175,16 3.299,17 3.435,18 4.838,19 3.364,20 4.343,21 4.518,22 3.438,23 3.636,24 5.525,25 3.533,26 4.577,27 4.845,28 2.799,29 3.458,30 5.617,31 3.215,32 4.248,33 4.636,34 1.25,35 2.458,36 5.22,37 2.094,56 0.009,57 0.343,58 6.088,59 2.96,60 4.044,61 3.903,62 0.045,63 0.626,64 12.054,65 5.419,66 16.373,67 7.327,68 0.174,69 0.839,70 17.745,71 7.2,72 58.065,73 9.809,74 0.235,75 0.883,76 22.686,77 7.64,78 59.07,79 11.043,80 0.468,81 0.447,82 17.061,83 3.821,84 95.277,85 5.964,104 26,105 23,106 0.267,107 0.46,108 0.647,109 0.76,110 0.76,111 0.76,112 2.611,113 1.038,114 -2.6,115 -2.62,116 -2.55,121 38.5,122 3,123 2,124 1,125 2,158 2,176 8,180 2,187 12,191 1,192 7,200 8,206 7,281 84,282 7.233,283 7.233,284 7.233,285 7.233,286 7.233,287 7.05,288 10.183,289 3.621,290 7.189,291 6.279,292 6.279,293 6.279,294 6.279,295 6.279,296 5.848,297 14.33,298 1.607,299 6.175,300 3.405,301 2.464,302 1.559,303 1.01,304 1.01,305 1.01,306 3.204,311 1,312 1,313 87,314 2.739,317 48.519,318 28.488,325 0.486,326 18.182,329 1,330 0.67,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.83,337 26,338 43,339 5.015,340 4.353,341 8.629,342 4.976,343 3.969,344 4.129,345 1.277,346 17.053,347 3.996,348 3.682,349 3.319,350 6.596,351 3.465,352 2.447,353 2.845,354 1.277,355 9.388,356 2.501,357 3.517,358 3.099,359 6.149,360 3.408,361 2.364,362 2.562,364 7.985,365 2.446,366 2.505,367 2.006,368 4.511,369 2.429,370 1.414,371 1.475,373 3.836,374 1.432,375 2.047,376 1.529,377 3.819,378 1.502,379 0.375,380 0.553,382 0.88,383 0.418,384 1.049,385 0.472,386 3.137,387 0.935,388 -0.095,389 -0.104,391 -0.251,392 -0.098,393 0.198,394 -0.428,395 2.806,397 -1,398 -1,400 -3,401 -1,403 -0.814,404 2.448,405 -0.099,406 -1.131,407 -1.16,409 -3.271,410 -1.145,411 -0.161,412 -1,413 2.184,414 -0.253,415 -1.337,416 -1.562,418 -4.12,419 -1.448,420 -0.299,421 -1.174,422 2,423 -0.383,424 -1.414,425 -1.738,427 -4.791,428 -1.481,429 -0.744,430 -1.581,431 1.548,432 -0.749,433 -1.752,434 -2,436 -6.3,437 -1.757,438 -0.809,439 -1.738,440 1.243,441 -0.83,442 -1.84,443 -2,444 -1.277,445 -8.038,446 -1.864,447 -1,448 -1.884,449 0.929,450 -1,451 -2,452 -2,453 -1.277,454 -9.372,455 -2,474 5.667,475 0.472,476 0.675,477 0.056,478 10,479 0.833,480 3,481 0.25,482 7,483 0.583,484 12.597,485 1.05,486 14.133,487 0.544,488 4.992,489 0.416,490 1.232,491 0.103,492 4.179,493 0.348,494 0.382,495 0.176,496 0.265,501 0.465,502 1.204,503 0.882,504 1.201,505 0.5,506 1.121,507 0.441,508 0.903,509 0.635,510 0.892,511 0.466,512 0.808,513 0.665,514 1.417,515 1.072,516 1.411,517 0.699,518 1.321,519 1.048,520 1.388,521 1.291,522 1.394,523 1.016,524 1.384,525 1.934,527 0.842,528 0.008,529 1.911,530 0.216,549 4.5,551 4.222,552 2.778,553 0.222,559 591,560 1453,561 1.861,562 53.8,563 13,568 1,572 1.475,573 1.6,574 1.925,575 -0.807,579 1,582 33.689,583 1.296,584 2.237,585 3.142,586 3.69,587 3.69,588 3.69,589 0.98,590 3.418,591 3.561,592 1.865,593 123.089,594 5.931,595 925.16,597 1,600 122.211,601 1.888,602 3.383,603 0.346,605 0.184,606 0.121,607 0.032,613 0.682,614 1,615 1,616 0.825,617 38.897,619 0.059,620 0.034,621 0.059,622 -0.019,623 0.053,624 0.06,625 0.245,626 0.281,627 0.261,628 0.043,629 0.301,630 0.145,631 -0.316,632 -0.123,633 -0.315,634 0.124,635 -0.269,636 -0.083,637 -0.486,638 -0.347,639 -0.489,640 -0.058,641 -0.465,642 -0.273,643 0.625,644 0.203,645 0.617,646 -0.264,647 0.505,666 1.788,667 4.555,668 0.583,669 4.167,670 0.994,671 1.128,672 1.369,673 1.875,674 0.625,675 2.639,676 3.178,677 3.584,678 3.784,679 3.784,680 3.526,681 2.944,682 1.609,685 2.535,686 0.581,687 166.24,688 2.639,689 4.29,690 5.242,691 6.221,692 7.189,693 8.168,694 9.139,695 10.117,696 11.09,697 12.067,741 26,743 2,745 13,747 27,748 10,752 2,756 2,757 3,763 3,764 2,766 2,767 2,768 1,770 2,772 2,773 8,774 1,777 2,782 2,786 2,793 14,794 2,796 2,808 0.5,809 2,828 2,829 1,841 2,859 1,864 3,868 12,876 2,880 1,882 2,893 7.7,896 2,901 7.5,902 5.667,903 2.41,904 1.729,907 0.288,908 1.053,909 0.861,910 1.204,911 5.704,912 2.773,913 3.332,914 3.829,915 4.043,916 4.078,917 3.892,918 3.434,919 2.197,922 0.333,923 23,924 4.529,925 0.006,926 2.115,927 0.026,929 8.014,931 8.714,932 0.002,933 8.125,934 -0.002,936 2.514,937 30.167,938 0.014,941 164.795,942 41.812,945 50.29,948 41.812,949 215.085,951 26.476,952 5.069,954 60.557,957 164.795,959 164.795,960 41.812,961 50.29,964 164.795,965 50.29,968 31.545,969 10.267,972 164.795,973 50.29,974 41.812,977 164.795,978 15.336,979 26.476,981 50.29,982 164.795,983 50.29,984 41.812,986 0.656,987 0.438,988 0.2,989 0.079,990 15,991 7,994 2,995 1.429,996 2.135,997 79.952,998 0.571,999 6,1000 41.02,1005 7.972,1006 1.812,1007 0.619,1009 50.29,1018 256.897,1019 15,1024 22.993,1028 -0.238,1031 25.84,1032 29.325,1034 0.276,1035 0.476,1036 0.668,1037 0.785,1038 0.785,1039 0.785,1040 4.19,1041 -1.131,1042 5.434,1043 -3,1044 3.85,1045 4.007,1046 2.019,1047 6.567,1048 3.884,1049 5.497,1050 -1.337,1051 7.246,1052 -3.271,1053 4.205,1054 4.369,1056 8.416,1057 4.24,1058 6.937,1059 -1.414,1060 9.184,1061 -4.12,1062 5.905,1063 6.155,1064 2.456,1065 11.618,1066 5.952,1067 8.416,1068 -1.752,1069 11.191,1070 -4.791,1071 6.976,1072 7.231,1074 14.172,1075 7.024,1076 9.934,1077 -1.84,1078 13.24,1079 -6.3,1080 8.402,1081 8.703,1082 2.912,1083 17.095,1084 8.455,1085 11.476,1086 -2,1087 15.318,1088 -8.038,1089 9.693,1090 10.011,1092 19.853,1093 9.748,1094 13.037,1096 17.415,1097 -9.372,1098 11.073,1099 11.425,1100 3.38,1101 22.712,1102 11.133,1103 3.969,1105 19.527,1107 12.425,1108 12.806,1110 25.527,1111 12.49,1112 2.447,1113 17.053,1114 21.65,1116 13.801,1117 14.215,1118 3.857,1119 28.369,1120 13.871,1121 2.364,1122 9.388,1123 23.78,1124 4.129,1125 15.172,1126 15.62,1128 31.199,1129 15.247,1130 1.414,1131 7.985,1132 25.917,1133 2.845,1134 16.548,1135 17.032,1136 4.338,1137 34.037,1138 16.63,1139 0.375,1140 3.836,1141 28.058,1142 2.562,1143 17.924,1144 18.445,1146 36.872,1147 18.012,1148 -0.095,1149 0.88,1150 30.203,1151 1.475,1152 19.302,1153 19.86,1154 4.823,1155 39.709,1156 19.396,1157 -1,1158 -0.251,1159 32.35,1160 0.553,1161 20.68,1162 21.276,1164 42.545,1165 20.78,1166 708,1167 1134,1168 7.455,1169 16.239,1170 21.993,1171 23.873,1172 24.025,1173 21.252,1174 21.139,1175 23.126,1176 5.11,1177 78.284,1178 21.585,1179 6.015,1180 6.237,1181 7.699,1182 5.976,1183 5.969,1184 6.129,1185 2.555,1186 26.425,1187 5.996,1188 7.288,1189 1.692,1190 1.836,1191 1.848,1192 1.635,1193 1.626,1194 1.779,1195 0.393,1196 6.022,1197 1.66,1198 4.074,1199 4.097,1200 4.008,1201 3.988,1202 7.496,1203 3.988,1204 3.312,1205 3.386,1206 3.17,1207 3.133,1208 7.351,1209 3.118,1210 3.18,1211 3.252,1212 3.009,1213 2.994,1214 4.389,1215 2.982,1216 3.151,1217 3.186,1218 2.957,1219 2.933,1220 3.825,1221 2.949,1222 2.874,1223 3.009,1224 2.499,1225 2.618,1226 3.628,1227 2.57,1228 2.65,1229 2.716,1230 2.452,1231 2.371,1232 3.467,1233 2.366,1234 2.212,1235 2.252,1236 1.983,1237 1.756,1238 2.917,1239 1.814,1240 1.976,1241 2.086,1242 1.615,1243 1.664,1244 2.629,1245 1.64,1246 0.386,1247 0.335,1248 0.664,1249 0.383,1250 0.305,1251 5.015,1252 0.318,1253 4.353,1254 0.098,1255 8.629,1256 1.312,1257 4.976,1258 0.307,1259 3.969,1260 4.129,1261 1.277,1262 17.053,1263 3.996,1264 1.78,1265 1.746,1266 1.969,1267 1.915,1268 1.315,1269 1.929,1270 1.722,1271 1.685,1272 1.916,1273 1.865,1274 1.267,1275 1.885,1276 1.121,1277 1.045,1278 1.527,1279 1.377,1280 0.643,1281 1.434,1282 1.061,1283 1.012,1284 1.417,1285 1.336,1286 0.469,1287 1.308,1288 0.934,1289 0.804,1290 1.238,1291 1.239,1292 0.391,1293 1.301,1294 0.674,1295 0.577,1296 1.053,1297 0.975,1298 0.1,1299 1.01,1300 0.07,1302 0.606,1303 0.521,1305 0.527,1308 0.057,1309 0.264,1311 0.211,1312 3.296,1314 4.779,1315 3.045,1316 6.488,1317 5.733,1318 8.286,1319 8.067,1320 10.127,1322 6.043,1328 1.809,1332 0.009,1334 -0.448,1340 15.117,1341 33.689,1342 58.154,1343 81.682,1344 95.947,1345 95.947,1346 95.947,1347 27.732,1348 5.416,1349 34.14,1350 34.14,1351 10,1352 12.54,1353 1.585,1354 1.585,1355 16.758,1356 19,1357 14,1358 0.558,1359 94.045,1360 169.14,1361 221.229,1362 907,1364 9.146,1365 0.762,1366 0.651,1367 9.146,1368 7.808,1369 5.411,1370 0.416,1371 0.346,1372 4.47,1373 5.286,1374 4.202,1375 3.483,1376 5.411,1377 4.497,1378 5.932,1379 0.258,1380 0.21,1381 5.932,1382 4.838,1383 5.802,1384 0.166,1385 0.122,1386 5.802,1387 4.268,1388 4.225,1389 0.098,1390 0.065,1391 4.225,1392 2.796,1393 2.563,1394 0.06,1395 0.037,1396 2.563,1397 1.59,1398 0.724,1399 33.618,1400 0.366,1401 11.064,1402 2.152,1403 72,1404 179.471,1405 76.207,1406 170.957,1407 224.08,1408 156,1409 94,1410 157.273,1411 99.094,1412 161.512,1413 241.05,1414 150,1415 4}
{0 CHEMBL2071424,1 1.401,2 11,3 6.208,4 38.539,5 104.59,6 6.97,7 0.571,8 3.98,9 4.096,10 3.478,11 3.559,12 5.095,13 3.516,14 4.478,15 4.657,16 3.826,17 3.925,18 5.513,19 3.861,20 4.712,21 4.899,22 3.938,23 4.052,24 5.833,25 3.973,26 4.845,27 5.098,28 3.825,29 4.037,30 5.836,31 3.924,32 4.776,33 5.037,34 3.71,35 3.994,36 5.664,37 3.868,38 4.672,39 4.893,40 3.719,41 3.955,42 5.669,43 3.845,44 4.704,45 4.916,46 3.584,47 3.923,48 5.798,49 3.783,50 4.744,51 5.044,52 3.314,53 3.778,54 5.566,55 3.592,56 0.056,57 0.666,58 10.818,59 4.868,60 10.911,61 6.402,62 0.07,63 1.075,64 18.646,65 7.907,66 13.509,67 10.911,68 0.26,69 1.34,70 24.304,71 9.483,72 39.497,73 13.144,74 0.345,75 1.452,76 29.333,77 10.544,78 49.352,79 15.154,80 0.216,81 1.333,82 27.213,83 10.392,84 32.557,85 14.797,86 0.157,87 1.194,88 23.89,89 9.795,90 29.348,91 13.391,92 0.309,93 1.233,94 24.884,95 9.635,96 58.714,97 13.204,98 0.279,99 1.218,100 27.525,101 9.892,102 46.181,103 14.268,104 33,105 39,106 0.235,107 0.556,108 0.716,109 0.798,110 0.84,111 0.846,112 3.304,113 0.948,114 -4.8,115 -4.71,116 -4.43,121 44,122 3,123 3,137 2,138 2,144 5,145 1,146 2,148 4,176 14,180 2,185 2,187 14,191 1,192 7,195 2,197 2,200 11,206 6,209 2,211 2,214 10,219 2,224 3,227 12,232 3,237 4,239 15,244 3,248 1,249 4,251 10,256 2,261 3,264 7,269 2,274 3,277 8,281 1072,282 17.206,283 17.206,284 17.206,285 17.206,286 17.206,287 14.588,288 16.273,289 10.155,290 17.368,291 13.803,292 13.803,293 13.803,294 13.803,295 13.803,296 10.026,297 16.434,298 4.837,299 14.129,300 4.243,301 2.332,302 1.378,303 0.891,304 0.645,305 0.605,306 3.985,312 1,313 604,314 3.808,318 167.885,322 183.31,325 1.615,326 24.261,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 55,338 286,339 4.694,340 3.305,341 6.755,342 4.189,343 3.224,344 4.731,345 0.68,346 11.068,347 3.108,348 4.289,349 2.982,350 6.356,351 3.815,352 2.841,353 4.094,354 0.68,355 9.586,356 2.764,357 3.802,358 2.837,359 5.634,360 3.423,361 2.432,362 3.19,363 0.68,364 7.321,365 2.412,366 3.669,367 2.651,368 5.042,369 3.251,370 2.272,371 2.983,373 6.079,374 2.225,375 3.597,376 2.518,377 5.012,378 3.149,379 2.156,380 2.859,382 5.6,383 2.132,384 3.355,385 2.147,386 4.655,387 2.891,388 1.944,389 2.694,391 5.137,392 1.833,393 3.139,394 1.825,395 4.619,396 2.669,397 1.694,398 2.42,400 4.696,401 1.649,402 2.903,403 1.503,404 4.132,405 2.396,406 1.414,407 2.1,409 3.58,410 1.388,411 2.364,412 1.443,413 3.612,414 2.119,415 1.123,416 1.317,418 2.508,419 1.118,420 2.191,421 1.195,422 3.327,423 1.861,424 0.918,425 1.138,427 2.189,428 0.862,429 1.777,430 0.969,431 2.995,432 1.586,433 0.613,434 0.688,436 1.373,437 0.595,438 1.392,439 0.4,440 2.782,441 1.013,442 0.063,443 0.08,445 0.149,446 0.059,447 1.179,448 0.155,449 2.62,450 0.786,451 -0.167,452 -0.21,454 -0.409,455 -0.157,456 1.052,457 0.067,458 2.513,459 0.648,460 -0.338,461 -0.375,463 -0.734,464 -0.333,465 0.862,466 -0.32,467 2.331,468 0.545,469 -0.413,470 -0.598,472 -1.114,473 -0.394,474 12.467,475 0.479,476 0.72,477 0.028,478 32.5,479 1.25,480 17,481 0.654,482 15.5,483 0.596,484 23.1,485 0.888,486 27.733,487 0.555,488 23.075,489 0.887,490 6.229,491 0.24,492 6.223,493 0.239,494 0.174,496 0.361,501 0.945,502 1.125,503 0.889,504 1.006,505 1.013,506 0.955,507 0.615,508 1.184,509 0.761,510 1.021,511 0.558,512 0.925,513 0.809,514 1.288,515 0.982,516 1.172,517 0.827,518 1.111,519 0.851,520 0.941,521 0.901,522 0.895,523 0.767,524 0.894,525 0.773,526 0.811,527 0.851,528 0.846,529 0.701,530 0.846,531 0.912,532 1.039,533 0.933,534 1.062,535 0.939,536 1.015,537 1.103,538 1.231,539 1.287,540 1.292,541 1.13,542 1.309,543 0.965,544 0.795,545 0.939,546 0.836,547 0.948,548 0.873,549 5.5,550 0.132,551 3.333,552 1.563,553 1.782,554 1.083,555 0.49,556 0.323,557 0.267,558 0.176,559 7672,560 17737,561 2.014,562 48,563 15,564 7,567 2,572 1.69,573 1.857,574 3.393,575 0.175,582 70.046,583 1.401,584 3.311,585 4.266,586 4.753,587 4.999,588 5.039,589 2.888,590 4.239,591 4.665,592 3.584,593 1164.9,594 8.087,595 14637,600 282.193,601 1.502,602 4.615,603 0.196,604 0.008,605 0.085,606 0.038,607 0.05,608 0.033,609 0.015,610 0.012,611 0.013,612 0.009,613 0.459,614 0.17,615 1,616 1.904,617 127.713,618 -0.083,619 -0.007,620 0.013,621 0.061,622 -0.141,623 0.047,624 0.064,625 -0.115,626 0.158,627 0.009,628 0.08,629 0.079,630 0.172,631 -0.215,632 -0.027,633 -0.183,634 0.094,635 -0.145,636 0.099,637 0.075,638 0.088,639 0.058,640 0.104,641 0.071,642 -0.006,643 0.172,644 0.118,645 0.132,646 0.025,647 0.145,648 -0.002,649 -0.072,650 0.026,651 -0.049,652 0.021,653 -0.014,654 0.007,655 -0.238,656 -0.313,657 -0.305,658 0.013,659 -0.339,660 -0.051,661 0.123,662 0.066,663 0.115,664 -0.043,665 0.109,666 1.57,667 4.183,668 0.538,669 25.728,670 0.992,671 1.12,672 3.572,673 12.759,674 0.666,675 3.367,676 3.689,677 3.932,678 4.19,679 4.489,680 4.635,681 4.745,682 4.852,683 4.99,684 4.89,685 6.47,686 0.625,687 348.48,688 3.367,689 4.905,690 5.746,691 6.624,692 7.494,693 8.384,694 9.268,695 10.166,696 11.059,697 11.962,698 4,708 2,714 4,715 5,716 2,720 3,722 16,738 2,741 50,743 18,744 2,745 28,747 52,748 22,749 12,750 7,751 5,756 3,757 6,763 3,770 3,772 16,773 6,777 2,784 2,786 2,793 24,794 4,795 2,796 4,802 2,808 0.333,809 2,819 1,829 3,833 2,849 2,850 2,859 1,864 3,868 26,875 2,876 3,893 4,895 2,901 14,902 9.883,903 5.722,904 3.029,907 4.144,908 1.561,909 0.941,910 5.46,911 11.535,912 3.664,913 4.337,914 4.952,915 5.605,916 6.304,917 6.792,918 7.287,919 7.771,920 8.259,921 8.427,922 1,923 41,924 9.62,926 4.028,927 0.026,929 7.712,931 18.463,933 14.937,936 2.212,937 57.5,941 258.964,942 118.546,943 33.571,945 85.367,948 118.546,949 344.331,950 33.571,951 26.476,952 7.604,953 66.334,954 118.938,955 18.133,957 258.964,959 258.964,960 152.117,961 85.367,964 258.964,965 85.367,968 42.656,969 56.938,970 52.524,972 258.964,973 118.938,974 118.546,977 258.964,978 25.737,979 92.809,981 118.938,982 258.964,983 118.938,984 118.546,986 0.582,987 0.323,988 0.167,989 0.097,990 18,991 9,992 0.096,993 5,994 2,995 1.286,996 3.744,997 213.673,998 0.286,999 14,1000 120.211,1005 18.252,1006 7.777,1007 4.181,1008 2.123,1009 118.938,1010 8.627,1011 9.084,1015 1.183,1017 85.367,1018 496.448,1019 38,1026 4.44,1028 2.657,1031 49.578,1032 55.983,1034 0.248,1035 0.587,1036 0.756,1037 0.842,1038 0.886,1039 0.893,1040 4.89,1041 1.414,1042 5.74,1043 4.696,1044 4.369,1045 5.024,1046 1.328,1047 6.55,1048 4.318,1049 6.136,1050 1.123,1051 7.302,1052 3.58,1053 4.007,1054 4.987,1056 7.476,1057 3.916,1058 7.467,1059 0.918,1060 8.965,1061 2.508,1062 5.958,1063 7.353,1064 0.825,1065 10.582,1066 5.853,1067 8.836,1068 0.613,1069 10.689,1070 2.189,1071 6.382,1072 8.135,1074 12.349,1075 6.226,1076 10.235,1077 0.063,1078 12.452,1079 1.373,1080 7.837,1081 10.002,1082 0.466,1083 14.994,1084 7.666,1085 11.656,1086 -0.167,1087 14.244,1088 0.149,1089 8.638,1090 11.185,1092 17.116,1093 8.414,1094 13.096,1095 -0.338,1096 16.057,1097 -0.409,1098 9.898,1099 12.851,1100 0.242,1101 19.597,1102 9.653,1103 3.224,1104 -0.413,1105 17.886,1106 -0.734,1107 10.885,1108 14.229,1110 21.87,1111 10.589,1112 2.841,1113 11.068,1114 19.728,1115 -1.114,1116 12.07,1117 15.814,1118 0.119,1119 24.29,1120 11.746,1121 2.432,1122 9.586,1123 21.581,1124 4.731,1125 13.146,1126 17.282,1128 26.629,1129 12.774,1130 2.272,1131 7.321,1132 23.442,1133 4.094,1134 14.306,1135 18.837,1136 0.057,1137 29.028,1138 13.901,1139 2.156,1140 6.079,1141 25.309,1142 3.19,1143 15.424,1144 20.346,1146 31.395,1147 14.975,1148 1.944,1149 5.6,1150 27.182,1151 2.983,1152 16.578,1153 21.892,1154 0.027,1155 33.788,1156 16.093,1157 1.694,1158 5.137,1159 29.06,1160 2.859,1161 17.717,1162 23.42,1164 36.17,1165 17.191,1166 7636,1167 11859,1168 18.205,1169 33.296,1170 41.774,1171 41.995,1172 42.997,1173 41.412,1174 41.392,1175 56.587,1176 4.08,1177 118.57,1178 40.286,1179 5.468,1180 5.305,1181 6.316,1182 5.26,1183 5.224,1184 7.731,1185 1.36,1186 18.241,1187 5.108,1188 14.928,1189 1.492,1190 1.5,1191 1.536,1192 1.479,1193 1.478,1194 2.021,1195 0.146,1196 4.235,1197 1.439,1198 4.143,1199 4.17,1200 4.122,1201 4.049,1202 6.475,1203 4.063,1204 3.841,1205 3.881,1206 3.762,1207 3.769,1208 6.466,1209 3.762,1210 3.768,1211 3.8,1212 3.673,1213 3.693,1214 5.032,1215 3.683,1216 3.604,1217 3.655,1218 3.482,1219 3.511,1220 4.529,1221 3.497,1222 3.238,1223 3.307,1224 3.109,1225 3.085,1226 4.461,1227 3.078,1228 3.144,1229 3.199,1230 3.061,1231 2.998,1232 4.314,1233 3.005,1234 3.091,1235 3.173,1236 2.919,1237 2.904,1238 4.092,1239 2.893,1240 2.986,1241 3.035,1242 2.814,1243 2.786,1244 4.057,1245 2.789,1246 0.168,1247 0.118,1248 0.241,1249 0.15,1250 0.115,1251 4.694,1252 0.169,1253 3.305,1254 0.024,1255 6.755,1256 0.395,1257 4.189,1258 0.111,1259 3.224,1260 4.731,1261 0.68,1262 11.068,1263 3.108,1264 2.076,1265 2.053,1266 2.128,1267 2.184,1268 1.304,1269 2.167,1270 1.844,1271 1.81,1272 2.022,1273 1.954,1274 1.215,1275 1.98,1276 1.768,1277 1.736,1278 1.916,1279 1.869,1280 1.05,1281 1.885,1282 1.622,1283 1.575,1284 1.827,1285 1.758,1286 0.953,1287 1.785,1288 1.246,1289 1.178,1290 1.564,1291 1.451,1292 0.74,1293 1.491,1294 1.117,1295 1.059,1296 1.451,1297 1.346,1298 0.582,1299 1.386,1300 1.091,1301 1.016,1302 1.417,1303 1.287,1304 0.469,1305 1.308,1306 0.934,1307 0.879,1308 1.27,1309 1.239,1310 0.298,1311 1.286,1312 4.043,1314 5.361,1316 6.876,1318 8.496,1320 10.178,1322 6.356,1327 20.252,1328 2.779,1340 31.267,1341 70.046,1342 165.573,1343 213.299,1344 237.663,1345 249.928,1346 251.928,1347 49.627,1348 7.391,1349 66.24,1350 66.24,1351 18,1352 12.484,1353 4.248,1354 3.459,1355 44.435,1356 98,1357 116,1358 0.22,1359 194.856,1360 335.2,1361 467.209,1362 15840,1364 18.681,1365 0.719,1366 0.594,1367 18.681,1368 15.452,1369 12.452,1370 0.445,1371 0.316,1372 8.787,1373 12.202,1374 8.415,1375 7.089,1376 12.452,1377 8.847,1378 11.453,1379 0.294,1380 0.177,1381 11.453,1382 6.884,1383 9.078,1384 0.182,1385 0.088,1386 9.078,1387 4.424,1388 7.303,1389 0.112,1390 0.045,1391 7.303,1392 2.942,1393 6.132,1394 0.07,1395 0.023,1396 6.132,1397 2.009,1398 0.346,1399 76.686,1400 0.234,1401 25.191,1402 0.601,1403 134,1404 345.59,1405 142.315,1406 345.629,1407 476.23,1408 322,1409 156,1410 354.694,1411 165.315,1412 365.794,1413 533.67,1414 343,1415 5.582}
{0 CHEMBL2071425,1 1.46,2 11.906,3 6.278,4 39.416,5 123.467,6 7.209,7 0.471,8 4.158,9 4.266,10 3.689,11 3.711,12 5.281,13 3.681,14 4.682,15 4.857,16 4.045,17 4.048,18 5.825,19 4.005,20 4.877,21 5.045,22 4.111,23 4.174,24 5.994,25 4.124,26 4.96,27 5.182,28 4.121,29 4.227,30 5.969,31 4.151,32 5.007,33 5.229,34 4.143,35 4.267,36 6.074,37 4.187,38 5.008,39 5.218,40 4.138,41 4.265,42 6.092,43 4.186,44 4.996,45 5.197,46 4.012,47 4.243,48 6.026,49 4.139,50 5.029,51 5.279,52 3.909,53 4.167,54 5.996,55 4.044,57 0.789,58 12.273,59 5.873,60 6.724,61 7.48,62 0.275,63 1.254,64 23.112,65 9.383,66 38.326,67 12.608,68 0.444,69 1.5,70 28.93,71 10.639,72 56.481,73 13.797,74 0.313,75 1.645,76 31.883,77 11.92,78 41.813,79 16.652,80 0.339,81 1.698,82 33.572,83 12.695,84 57.592,85 17.569,86 0.357,87 1.686,88 33.461,89 12.661,90 56.239,91 17.218,92 0.371,93 1.669,94 32.755,95 12.538,96 46.719,97 16.905,98 0.318,99 1.634,100 35.694,101 13.217,102 56.874,103 18.295,104 73,105 47,106 0.235,107 0.524,108 0.675,109 0.779,110 0.812,111 0.818,112 3.502,113 0.937,114 -5.05,115 -4.95,116 -4.63,121 43.3,122 5,123 3,137 2,138 2,144 5,145 1,146 2,148 4,160 2,176 14,179 2,180 8,187 14,191 3,192 9,200 11,205 2,206 10,214 12,218 2,219 9,227 14,231 2,232 11,239 17,243 1,244 10,251 13,256 9,264 11,268 2,269 11,277 12,281 2074,282 20.93,283 20.93,284 20.93,285 20.93,286 20.93,287 18.002,288 22.156,289 12.514,290 21.209,291 16.823,292 16.823,293 16.823,294 16.823,295 16.823,296 12.484,297 24.434,298 6.004,299 17.306,300 4.447,301 2.652,302 1.716,303 1.067,304 0.863,305 0.83,306 4.183,312 1,313 787,314 4.743,318 214.921,322 234.418,325 1.793,326 34.12,329 1,330 1,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.88,337 69,338 381,339 4.705,340 3.673,341 6.785,342 4.204,343 3.243,344 4.737,345 2.443,346 11.215,347 3.117,348 4.321,349 3.663,350 6.423,351 3.86,352 2.896,353 4.113,354 2.443,355 9.908,356 2.79,357 3.834,358 3.278,359 5.744,360 3.46,361 2.486,362 3.235,363 0.68,364 7.765,365 2.427,366 3.712,367 2.973,368 5.277,369 3.326,370 2.347,371 2.993,372 0.68,373 6.544,374 2.281,375 3.638,376 2.837,377 5.049,378 3.235,379 2.279,380 2.927,381 0.68,382 6.104,383 2.168,384 3.616,385 2.654,386 4.838,387 3.17,388 2.172,389 2.862,390 0.286,391 5.308,392 2.15,393 3.426,394 2.536,395 4.641,396 3.002,397 2.007,398 2.63,399 0.286,400 5.127,401 1.977,402 3.226,403 2.217,404 4.564,405 2.763,406 1.77,407 2.436,409 4.712,410 1.738,411 3.134,412 1.847,413 4.419,414 2.659,415 1.681,416 2.408,418 4.388,419 1.64,420 2.9,421 1.505,422 4.109,423 2.393,424 1.408,425 2.09,427 3.561,428 1.385,429 2.372,430 1.472,431 3.624,432 2.119,433 1.123,434 1.32,436 2.526,437 1.118,438 2.195,439 1.228,440 3.339,441 1.869,442 0.922,443 1.141,445 2.223,446 0.868,447 1.806,448 1.117,449 3.023,450 1.606,451 0.629,452 0.708,454 1.432,455 0.611,456 1.471,457 0.841,458 2.881,459 1.1,460 0.151,461 0.187,463 0.381,464 0.142,465 1.264,466 0.605,467 2.711,468 0.893,469 -0.06,470 -0.074,472 -0.154,473 -0.056,474 15.133,475 0.473,476 0.932,477 0.029,478 39.5,479 1.234,480 20,481 0.625,482 19.5,483 0.609,484 31.215,485 0.975,486 34.667,487 0.578,488 31.936,489 0.998,490 7.74,491 0.242,492 7.5,493 0.234,494 0.209,496 0.363,501 0.696,502 1.266,503 0.802,504 1.162,505 0.604,506 1.025,507 0.582,508 1.144,509 0.686,510 0.998,511 0.441,512 0.881,513 1.316,514 1.117,515 1.085,516 0.996,517 1.131,518 1.008,519 0.696,520 1.018,521 0.809,522 0.928,523 0.514,524 0.885,525 0.737,526 0.971,527 0.828,528 0.927,529 0.749,530 0.892,531 0.878,532 1.017,533 0.924,534 0.997,535 0.797,536 0.968,537 0.951,538 1.151,539 1.186,540 1.198,541 0.811,542 1.216,543 0.888,544 0.951,545 0.942,546 0.993,547 0.892,548 0.975,549 7.5,550 0.264,551 3.333,552 1.813,553 2.182,554 1.486,555 0.893,556 0.622,557 0.498,558 0.358,559 12590,560 33117,561 1.976,562 46.7,563 15,564 7,568 6,572 1.75,573 1.811,574 3.505,575 -0.805,582 87.596,583 1.46,584 3.255,585 4.191,586 4.84,587 5.044,588 5.077,589 2.951,590 4.625,591 4.96,592 3.719,593 1844.6,594 8.717,595 27030.9,600 354.413,601 1.531,602 4.907,603 0.221,604 0.009,605 0.071,606 0.037,607 0.044,608 0.029,609 0.018,610 0.015,611 0.013,612 0.01,613 0.466,614 0.17,615 1,616 2.057,617 167.665,619 -0.13,620 0.048,621 -0.071,622 -0.053,623 -0.015,624 0.271,625 -0.089,626 0.243,627 0.028,628 0.228,629 0.114,630 -0.09,631 -0.048,632 -0.108,633 -0.011,634 -0.142,635 -0.065,636 0.078,637 0.033,638 0.142,639 0.056,640 0.084,641 0.101,642 0.066,643 0.062,644 0.126,645 0.062,646 0.083,647 0.098,648 0.025,649 0.017,650 0.035,651 -0.007,652 0.052,653 0.013,654 -0.044,655 -0.108,656 -0.238,657 -0.206,658 -0.081,659 -0.24,660 -0.028,661 0.008,662 0.04,663 -0.012,664 -0.002,665 0.023,666 2.094,667 4.602,668 0.438,669 38.414,670 1,671 1.121,672 3.817,673 14.569,674 0.662,675 3.555,676 3.871,677 4.078,678 4.382,679 4.691,680 4.875,681 5.063,682 5.242,683 5.38,684 5.371,685 7.17,686 0.629,687 432.56,688 3.555,689 5.094,690 5.922,691 6.804,692 7.667,693 8.562,694 9.446,695 10.35,696 11.246,697 12.155,698 3.3,708 2,714 4,715 5,716 2,720 3,722 16,741 60,743 20,744 2,745 34,747 62,748 26,749 12,750 7,751 5,756 3,757 6,763 5,770 3,772 18,773 8,777 4,782 2,784 2,786 4,793 28,794 6,796 6,802 2,808 0.333,809 4,819 1,829 3,833 2,846 2,849 2,850 2,859 1,864 5,868 32,876 3,878 2,893 6.7,896 2,898 2,901 17.667,902 12.65,903 7.056,904 3.679,907 4.201,908 1.535,909 0.949,910 7.635,911 12.057,912 3.85,913 4.483,914 5.034,915 5.715,916 6.42,917 6.936,918 7.477,919 8.007,920 8.496,921 8.744,922 0.875,923 49,924 11.833,926 4.87,927 0.026,929 7.807,931 22.435,933 17.642,936 2.307,937 73.833,941 329.591,942 161.066,943 33.571,945 72.29,948 161.066,949 401.88,950 33.571,951 44.126,952 7.604,953 66.334,954 98.244,955 50.62,957 329.591,959 329.591,960 194.637,961 72.29,964 329.591,965 72.29,968 60.306,969 81.807,970 52.524,972 329.591,973 105.861,974 161.066,977 329.591,978 50.606,979 110.46,981 105.861,982 329.591,983 105.861,984 161.066,986 0.576,987 0.3,988 0.166,989 0.102,990 20,991 11,992 0.145,993 9,994 2,995 1.286,996 4.148,997 286.096,998 0.286,999 14,1000 158,1005 23.468,1006 10.411,1007 6.173,1008 2.154,1009 105.861,1010 8.867,1011 9.488,1015 1.652,1018 596.518,1019 46,1024 23.131,1026 4.414,1028 1.748,1031 60,1032 67.232,1034 0.247,1035 0.551,1036 0.709,1037 0.819,1038 0.854,1039 0.86,1040 5.081,1041 1.77,1042 5.916,1043 5.127,1044 4.554,1045 5.17,1046 3.172,1047 6.718,1048 4.494,1049 6.317,1050 1.681,1051 7.468,1052 4.712,1053 4.205,1054 5.139,1055 2.882,1056 7.627,1057 4.123,1058 7.641,1059 1.408,1060 9.12,1061 4.388,1062 6.129,1063 7.446,1064 4.537,1065 10.733,1066 5.997,1067 8.998,1068 1.123,1069 10.832,1070 3.561,1071 6.538,1072 8.215,1073 4.955,1074 12.493,1075 6.372,1076 10.384,1077 0.922,1078 12.586,1079 2.526,1080 7.988,1081 10.058,1082 6.179,1083 15.144,1084 7.779,1085 11.792,1086 0.629,1087 14.369,1088 2.223,1089 8.773,1090 11.231,1091 6.85,1092 17.272,1093 8.52,1094 13.22,1095 0.151,1096 16.176,1097 1.432,1098 10.032,1099 12.888,1100 7.901,1101 19.76,1102 9.742,1103 3.243,1104 -0.06,1105 18.001,1106 0.381,1107 11.009,1108 14.261,1109 8.685,1110 22.044,1111 10.672,1112 2.896,1113 11.215,1114 19.84,1115 -0.154,1116 12.194,1117 15.843,1118 9.656,1119 24.473,1120 11.821,1121 2.486,1122 9.908,1123 21.691,1124 4.737,1125 13.266,1126 17.309,1127 10.495,1128 26.822,1129 12.846,1130 2.347,1131 7.765,1132 23.552,1133 4.113,1134 14.426,1135 18.864,1136 11.427,1137 29.231,1138 13.969,1139 2.279,1140 6.544,1141 25.42,1142 3.235,1143 15.544,1144 20.373,1145 12.293,1146 31.609,1147 15.043,1148 2.172,1149 6.104,1150 27.294,1151 2.993,1152 16.7,1153 21.919,1154 13.205,1155 34.013,1156 16.16,1157 2.007,1158 5.308,1159 29.173,1160 2.927,1161 17.841,1162 23.447,1163 14.085,1164 36.405,1165 17.258,1166 12722,1167 20969,1168 21.789,1169 39.728,1170 50.831,1171 52.223,1172 52.022,1173 50.191,1174 50.224,1175 67.577,1176 14.995,1177 142.386,1178 48.822,1179 5.483,1180 5.673,1181 6.346,1182 5.277,1183 5.243,1184 7.737,1185 4.174,1186 18.456,1187 5.117,1188 20.534,1189 1.495,1190 1.536,1191 1.53,1192 1.476,1193 1.477,1194 1.988,1195 0.441,1196 4.188,1197 1.436,1198 4.149,1199 4.174,1200 4.129,1201 4.053,1202 7.436,1203 4.068,1204 3.846,1205 3.883,1206 3.777,1207 3.772,1208 7.432,1209 3.767,1210 3.78,1211 3.809,1212 3.682,1213 3.696,1214 5.127,1215 3.688,1216 3.616,1217 3.663,1218 3.502,1219 3.514,1220 4.699,1221 3.502,1222 3.513,1223 3.536,1224 3.429,1225 3.263,1226 4.493,1227 3.293,1228 3.482,1229 3.512,1230 3.383,1231 3.253,1232 4.368,1233 3.279,1234 3.214,1235 3.291,1236 3.075,1237 3.067,1238 4.339,1239 3.056,1240 3.127,1241 3.193,1242 3.013,1243 2.988,1244 4.246,1245 2.987,1246 0.138,1247 0.108,1248 0.2,1249 0.124,1250 0.095,1251 4.705,1252 0.139,1253 3.673,1254 0.072,1255 6.785,1256 0.33,1257 4.204,1258 0.092,1259 3.243,1260 4.737,1261 2.443,1262 11.215,1263 3.117,1264 2.078,1265 2.056,1266 2.128,1267 2.187,1268 1.306,1269 2.168,1270 1.846,1271 1.813,1272 2.022,1273 1.956,1274 1.22,1275 1.981,1276 1.772,1277 1.74,1278 1.917,1279 1.883,1280 1.057,1281 1.891,1282 1.625,1283 1.579,1284 1.83,1285 1.772,1286 0.958,1287 1.794,1288 1.413,1289 1.376,1290 1.687,1291 1.684,1292 0.751,1293 1.675,1294 1.408,1295 1.369,1296 1.683,1297 1.656,1298 0.694,1299 1.661,1300 1.234,1301 1.16,1302 1.561,1303 1.437,1304 0.688,1305 1.483,1306 1.116,1307 1.055,1308 1.445,1309 1.332,1310 0.584,1311 1.375,1312 4.234,1314 5.549,1316 7.047,1318 8.649,1320 10.32,1322 9.02,1328 2.653,1330 10.707,1340 37.75,1341 87.596,1342 195.304,1343 251.446,1344 290.374,1345 302.639,1346 304.639,1347 70.002,1348 7.856,1349 78.38,1350 78.38,1351 18,1352 12.674,1353 4.392,1354 3.7,1355 60.888,1356 129,1357 170,1358 0.222,1359 235.363,1360 416.7,1361 566.047,1362 27274,1364 23.25,1365 0.727,1366 0.6,1367 23.25,1368 19.19,1369 15.24,1370 0.448,1371 0.312,1372 10.511,1373 14.71,1374 10.022,1375 8.448,1376 15.24,1377 10.625,1378 14.278,1379 0.304,1380 0.171,1381 14.278,1382 8.03,1383 10.206,1384 0.176,1385 0.084,1386 10.206,1387 4.9,1388 8.759,1389 0.111,1390 0.043,1391 8.759,1392 3.395,1393 7.462,1394 0.069,1395 0.022,1396 7.462,1397 2.333,1398 0.346,1399 95.045,1400 0.214,1401 29.802,1402 0.619,1403 162,1404 504.232,1405 179.171,1406 481.814,1407 654.51,1408 450,1409 186,1410 482.452,1411 201.295,1412 484.971,1413 706.15,1414 455,1415 5.697}
{0 CHEMBL2071426,1 1.626,2 5.875,3 2.525,4 6.375,5 56.545,6 8.843,7 0.889,8 3.348,9 3.426,10 3.047,11 2.947,12 4.658,13 2.966,14 3.756,15 3.852,16 3.429,17 3.301,18 5.068,19 3.318,20 4.013,21 4.161,22 3.524,23 3.342,24 5.414,25 3.362,26 3.914,27 4.092,28 3.264,29 3.148,30 5.288,31 3.152,32 3.649,33 3.818,34 2.899,35 2.968,36 4.886,37 2.93,38 3.455,39 3.611,40 2.633,41 2.744,42 4.71,43 2.68,44 3.316,45 3.526,46 2.183,47 2.353,48 4.724,49 2.236,50 2.832,51 3.128,52 0.691,53 1.578,54 3.761,55 1.322,56 0.089,57 0.333,58 3.412,59 1.962,60 12.444,61 1.843,62 0.079,63 0.525,64 4.918,65 2.96,66 7.111,67 3.1,68 0.282,69 0.681,70 8.861,71 3.737,72 30.111,73 4.04,74 0.309,75 0.606,76 9.078,77 3.269,78 34.222,79 3.425,80 0.178,81 0.437,82 6.7,83 2.829,84 22.111,85 2.927,86 0.117,87 0.327,88 5.426,89 2.703,90 15.333,91 2.982,92 0.211,93 0.272,94 6.12,95 2.452,96 30.333,97 2.986,98 0.145,99 0.159,100 5.138,101 1.602,102 22,103 1.984,104 5,105 26,106 0.32,107 0.516,108 0.627,109 0.705,110 0.705,111 0.705,112 2.856,113 0.805,114 -2.53,115 -2.56,116 -2.5,121 50,144 6,146 2,148 4,176 4,180 2,185 2,187 2,191 1,192 6,195 2,197 2,206 4,209 2,211 2,224 2,227 3,237 2,239 4,248 1,249 2,251 2,281 152,282 10.861,283 10.861,284 10.861,285 10.861,286 10.861,287 8.962,288 4.313,289 6.286,290 11.027,291 8.877,292 8.877,293 8.877,294 8.877,295 8.877,296 6.078,297 2.326,298 2.967,299 9.208,300 2.959,301 1.959,302 1.396,303 1,304 1,305 1,306 3.532,311 1,312 1,313 206,314 1.732,318 78.051,322 85.263,325 0.906,326 19.602,329 1,330 0.83,331 1,332 0.4,334 1,335 1,336 0.75,337 35,338 94,339 4.643,340 3.219,341 6.622,342 4.122,343 3.163,344 4.677,346 10.603,347 3.029,348 4.23,349 2.904,350 6.275,351 3.743,352 2.775,353 4.022,355 9.279,356 2.684,357 3.469,358 2.162,359 5.101,360 2.951,361 2,362 2.919,364 5.961,365 1.896,366 3.343,367 2.077,368 4.976,369 2.881,370 1.935,371 2.679,373 5.477,374 1.823,375 2.908,376 1.446,377 4.17,378 2.405,379 1.414,380 2.108,382 3.622,383 1.399,384 2.903,385 1.424,386 3.893,387 2.395,388 1.414,389 2.099,391 3.257,392 1.386,393 2.245,394 0.972,395 3.316,396 1.737,397 0.814,398 1.14,400 1.953,401 0.747,402 1.395,403 0.26,404 2.732,405 0.927,411 1.07,412 -0.114,413 2.426,414 0.579,415 -0.36,416 -0.473,418 -0.813,419 -0.334,420 1.012,421 -0.426,422 2.354,423 0.534,424 -0.429,425 -0.642,427 -1.166,428 -0.411,429 0.571,430 -0.666,431 2.315,432 0.1,433 -0.829,434 -1.126,436 -2.307,437 -0.765,438 0.263,439 -1.154,440 1.826,441 -0.242,442 -1.228,443 -1.782,445 -3.381,446 -1.205,447 -0.056,448 -1.27,449 1.334,450 -0.469,451 -1.414,452 -1.924,454 -3.731,455 -1.314,456 -0.122,457 -1.29,458 1.33,459 -0.492,460 -1.414,461 -1.965,463 -3.749,464 -1.345,465 -0.374,466 -1.822,467 1.242,468 -0.901,469 -1.839,470 -2.732,472 -5.402,473 -1.732,474 7.467,475 0.467,476 0.418,477 0.026,478 25.5,479 1.594,480 15,481 0.938,482 10.5,483 0.656,484 7.654,485 0.478,486 15.933,487 0.664,488 15.443,489 0.965,490 5.087,491 0.318,492 2.667,493 0.167,494 0.089,496 0.402,501 0.996,502 0.988,503 0.705,504 0.76,505 1.048,506 0.688,507 0.695,508 1.365,509 0.671,510 1.093,511 0.632,512 0.924,513 0.909,514 1.154,515 0.831,516 0.964,517 0.88,518 0.897,519 1.158,520 0.897,521 1.089,522 0.854,523 1.06,524 0.904,525 1.193,526 0.765,527 1.241,528 0.974,529 1.128,530 1.066,531 1.061,532 1.082,533 1.224,534 1.392,535 1.18,536 1.383,537 0.877,538 0.997,539 1.254,540 1.308,541 0.972,542 1.384,543 1.568,544 0.607,545 1.522,546 0.826,547 1.786,548 1.121,549 3,551 2.222,552 1.125,553 1.351,554 0.403,555 0.163,556 0.056,559 1850,560 5817,561 2.135,562 33.3,564 6,567 2,572 1.556,573 2,574 2.641,575 0.451,579 1,582 39.02,583 1.626,584 2.626,585 3.189,586 3.585,587 3.585,588 3.585,589 1.906,590 2.156,591 3.979,592 2.655,593 318.604,594 6.72,595 2660.95,597 1,600 110.039,601 1.406,602 3.933,603 0.167,605 0.085,606 0.042,607 0.068,608 0.029,609 0.016,610 0.011,613 0.418,614 0.67,615 1,616 0.625,617 62.196,618 -0.19,619 0.002,620 -0.036,621 0.144,622 -0.25,623 0.1,624 -0.042,625 -0.355,626 0.012,627 -0.212,628 -0.031,629 -0.121,630 0.07,631 -0.105,632 0.06,633 -0.074,634 0.038,635 -0.035,636 -0.073,637 0.173,638 -0.107,639 0.047,640 -0.038,641 -0.006,642 -0.245,643 0.202,644 -0.295,645 -0.016,646 -0.175,647 -0.113,648 -0.092,649 -0.271,650 -0.246,651 -0.371,652 -0.113,653 -0.358,654 0.289,655 -0.216,656 -0.043,657 -0.233,658 0.31,659 -0.229,660 -0.262,661 0.146,662 -0.01,663 0.341,664 -0.352,665 0.239,666 1.574,667 3.635,668 0.875,669 7.5,670 1.021,671 1.111,672 1.302,673 1.695,674 0.717,675 2.944,676 3.296,677 3.611,678 3.892,679 4.174,680 4.234,681 4.317,682 4.344,683 4.419,684 4.043,685 3.697,686 0.711,687 212.22,688 2.944,689 4.489,690 5.361,691 6.256,692 7.146,693 8.046,694 8.941,695 9.843,696 10.74,697 11.641,698 8.3,708 2,714 4,715 6,716 2,720 2,722 16,738 2,741 24,743 16,744 2,745 18,747 26,748 12,749 12,750 6,751 6,756 3,757 6,772 12,790 1,793 8,794 4,795 2,796 4,802 2,808 0.333,809 2,819 1,829 3,833 2,859 1,868 16,875 2,893 8.3,895 2,901 8,902 4.3,903 3.444,904 1.328,907 3.547,908 1.544,909 0.97,910 1.865,911 10.065,912 3.296,913 4.034,914 4.751,915 5.44,916 6.135,917 6.572,918 7.052,919 7.502,920 7.957,921 7.954,922 0.75,923 27,924 5.874,926 2.597,927 0.026,929 8,931 10.861,933 9.012,936 2.5,937 40,938 0.001,941 70.627,942 65.434,943 33.571,945 85.367,948 65.434,949 155.993,950 33.571,953 56.857,954 118.938,955 8.577,957 70.627,959 70.627,960 99.005,961 85.367,964 70.627,965 85.367,968 8.577,969 56.857,970 33.571,972 70.627,973 118.938,974 65.434,977 70.627,978 8.577,979 56.857,981 118.938,982 70.627,983 118.938,984 65.434,986 0.591,987 0.357,988 0.196,989 0.11,990 15,991 6,994 2,995 1.286,996 2.805,997 116.684,998 0.286,999 14,1000 48,1005 9.218,1006 3.236,1007 1.363,1008 2.018,1009 118.938,1010 9.996,1011 8.531,1015 0.186,1017 85.367,1018 254.998,1019 26,1031 24.509,1032 26.661,1034 0.355,1035 0.573,1036 0.695,1037 0.782,1038 0.782,1039 0.782,1040 4.511,1042 5.361,1043 1.953,1044 3.97,1045 4.718,1047 6.209,1048 3.893,1049 5.771,1050 -0.36,1051 6.944,1053 3.611,1054 4.691,1056 7.168,1057 3.472,1058 7.115,1059 -0.429,1060 8.629,1061 -0.813,1062 5.595,1063 7.127,1065 10.292,1066 5.44,1067 8.499,1068 -0.829,1069 10.371,1070 -1.166,1071 6.043,1072 7.926,1074 12.06,1075 5.822,1076 9.915,1077 -1.228,1078 12.151,1079 -2.307,1080 7.518,1081 9.831,1083 14.695,1084 7.283,1085 11.354,1086 -1.414,1087 13.955,1088 -3.381,1089 8.343,1090 11.021,1092 16.792,1093 8.046,1094 12.81,1095 -1.414,1096 15.776,1097 -3.731,1098 9.612,1099 12.705,1101 19.248,1102 9.293,1103 3.163,1104 -1.839,1105 17.609,1106 -3.749,1107 10.609,1108 14.079,1110 21.484,1111 10.234,1112 2.775,1113 10.603,1114 19.452,1115 -5.402,1116 11.795,1117 15.669,1119 23.87,1120 11.389,1121 2,1122 9.279,1123 21.303,1124 4.677,1125 12.869,1126 17.128,1128 26.167,1129 12.412,1130 1.935,1131 5.961,1132 23.159,1133 4.022,1134 14.023,1135 18.681,1137 28.527,1138 13.529,1139 1.414,1140 5.477,1141 25.019,1142 2.919,1143 15.132,1144 20.18,1146 30.852,1147 14.59,1148 1.414,1149 3.622,1150 26.882,1151 2.679,1152 16.275,1153 21.719,1155 33.203,1156 15.693,1157 0.814,1158 3.257,1159 28.749,1160 2.108,1161 17.4,1162 23.236,1164 35.541,1165 16.773,1166 1822,1167 3308,1168 12.137,1169 17.205,1170 27.259,1171 27.398,1172 28.261,1173 27.091,1174 27.029,1175 39.288,1177 80.3,1178 25.928,1179 5.143,1180 5.219,1181 6.158,1182 5.193,1183 5.163,1184 7.677,1186 17.478,1187 5.029,1188 6.251,1189 1.514,1190 1.522,1191 1.57,1192 1.505,1193 1.502,1194 2.183,1196 4.461,1197 1.44,1198 4.128,1199 4.155,1200 4.106,1201 4.027,1202 6.475,1203 4.043,1204 3.769,1205 3.789,1206 3.713,1207 3.704,1208 6.466,1209 3.703,1210 3.147,1211 3.201,1212 3.064,1213 3.005,1214 5.04,1215 3.013,1216 3.088,1217 3.124,1218 3.026,1219 2.894,1220 4.501,1221 2.919,1222 2.901,1223 2.927,1224 2.789,1225 2.691,1226 4.106,1227 2.705,1228 2.575,1229 2.625,1230 2.466,1231 2.486,1232 4.062,1233 2.476,1234 2.276,1235 2.339,1236 2.151,1237 1.761,1238 3.291,1239 1.848,1240 2.18,1241 2.271,1242 1.899,1243 1.639,1244 3.269,1245 1.696,1246 0.258,1247 0.179,1248 0.368,1249 0.229,1250 0.176,1251 4.643,1252 0.26,1253 3.219,1255 6.622,1256 0.589,1257 4.122,1258 0.168,1259 3.163,1260 4.677,1262 10.603,1263 3.029,1264 2.062,1265 2.038,1266 2.112,1267 2.177,1268 1.195,1269 2.158,1270 1.762,1271 1.742,1272 1.873,1273 1.852,1274 0.961,1275 1.859,1276 1.112,1277 1.061,1278 1.271,1279 1.289,1280 0.299,1281 1.289,1282 0.999,1283 0.964,1284 1.157,1285 1.245,1286 0.154,1287 1.213,1288 0.817,1289 0.785,1290 1.051,1291 1.11,1292 0.058,1293 1.082,1294 0.583,1295 0.541,1296 0.817,1297 0.774,1299 0.789,1300 0.04,1302 0.572,1303 0.561,1305 0.578,1306 0.034,1308 0.483,1309 0.541,1311 0.513,1312 3.611,1314 4.949,1316 6.512,1318 8.179,1320 9.896,1327 19.27,1340 17.053,1341 39.02,1342 63.02,1343 76.529,1344 86.039,1345 86.039,1346 86.039,1347 21.474,1348 6.518,1349 66.24,1350 66.24,1351 18,1352 12.163,1353 4.087,1354 3.17,1355 21.662,1356 40,1357 22,1358 0.32,1359 104.788,1360 167.48,1361 247.442,1362 4862,1364 11.121,1365 0.695,1366 0.516,1367 11.121,1368 8.253,1369 7.754,1370 0.431,1371 0.268,1372 4.769,1373 7.502,1374 4.695,1375 3.872,1376 7.754,1377 4.83,1378 7.136,1379 0.274,1380 0.135,1381 7.136,1382 3.513,1383 6.291,1384 0.175,1385 0.068,1386 6.291,1387 2.451,1388 5.324,1389 0.111,1390 0.035,1391 5.324,1392 1.689,1393 4.466,1394 0.07,1395 0.018,1396 4.466,1397 1.162,1398 0.465,1399 48.495,1400 0.287,1401 15.564,1402 0.991,1403 88,1404 273.59,1405 96.315,1406 268.832,1407 370.62,1408 250,1409 106,1410 279.694,1411 115.149,1412 283.344,1413 418.44,1414 268,1415 5.345}
{0 CHEMBL2071427,1 1.523,2 6.133,3 2.792,4 7.796,5 54.851,6 8.531,7 0.941,8 3.289,9 3.377,10 2.981,11 2.933,12 4.528,13 2.933,14 3.715,15 3.826,16 3.341,17 3.282,18 4.968,19 3.275,20 3.947,21 4.123,22 3.345,23 3.306,24 5.17,25 3.286,26 3.786,27 3.994,28 3.019,29 3.08,30 4.952,31 3.028,32 3.472,33 3.66,34 2.728,35 2.873,36 4.62,37 2.799,38 3.283,39 3.466,40 2.401,41 2.65,42 4.369,43 2.543,44 3.12,45 3.356,46 1.92,47 2.238,48 4.195,49 2.095,50 2.637,51 2.916,52 1.103,53 1.488,54 3.681,55 1.323,56 0.033,57 0.312,58 3.375,59 1.829,60 6.292,61 1.971,62 0.023,63 0.499,64 5.313,65 2.824,66 5.356,67 3.229,68 0.147,69 0.657,70 9.025,71 3.598,72 20.52,73 4.082,74 0.177,75 0.554,76 8.539,77 3.131,78 22.268,79 3.729,80 0.111,81 0.378,82 5.799,83 2.48,84 13.537,85 3.078,86 0.032,87 0.291,88 4.655,89 2.286,90 6.002,91 2.869,92 0.054,93 0.235,94 5.055,95 2.129,96 10.053,97 2.725,98 0.069,99 0.137,100 3.827,101 1.341,102 11.871,103 1.651,104 2,105 24,106 0.302,107 0.472,108 0.583,109 0.746,110 0.811,111 0.828,112 2.798,113 0.826,114 -2.56,115 -2.58,116 -2.52,121 52.2,144 7,146 1,148 4,176 4,180 4,185 2,187 3,191 1,192 7,197 1,200 2,206 3,209 1,214 2,222 1,227 5,237 1,239 4,249 2,251 1,261 1,281 144,282 10.309,283 10.309,284 10.309,285 10.309,286 10.309,287 8.474,288 2.157,289 6.101,290 10.455,291 8.426,292 8.426,293 8.426,294 8.426,295 8.426,296 5.708,297 1.163,298 2.941,299 8.7,300 3.001,301 2.144,302 1.583,303 0.761,304 0.435,305 0.348,306 3.477,311 1,312 1,313 204,314 1.581,318 72.873,322 79.77,325 0.96,326 12.391,329 1,330 0.67,331 0.83,332 0.4,334 1,335 1,336 0.7,337 32,338 92,339 4.561,340 3.078,341 6.372,342 4.027,343 3.064,344 4.585,346 9.885,347 2.946,348 4.086,349 2.679,350 5.904,351 3.583,352 2.604,353 3.855,355 8.246,356 2.546,357 3.489,358 2.266,359 4.964,360 3.028,361 2.077,362 2.888,364 5.816,365 1.965,366 3.284,367 1.792,368 4.699,369 2.736,370 1.788,371 2.669,373 5.118,374 1.693,375 2.912,376 1.418,377 4.021,378 2.406,379 1.414,380 2.117,382 3.323,383 1.402,384 2.755,385 1.256,386 3.62,387 2.245,388 1.256,389 1.883,391 3.006,392 1.242,393 2.006,394 0.572,395 3.112,396 1.48,397 0.522,398 0.769,400 1.254,401 0.498,402 1.262,403 0.053,404 2.707,405 0.776,406 -0.16,407 -0.219,409 -0.391,410 -0.149,411 1.096,412 -0.398,413 2.339,414 0.56,415 -0.402,416 -0.601,418 -1.1,419 -0.385,420 0.7,421 -0.617,422 2.24,423 0.214,424 -0.744,425 -1.036,427 -1.904,428 -0.701,429 0.434,430 -0.932,431 2,432 -0.04,433 -1,434 -1.43,436 -2.586,437 -0.961,438 0.32,439 -1.169,440 1.593,441 -0.188,442 -1.174,443 -1.755,445 -3.564,446 -1.158,447 -0.048,448 -1.322,449 1.265,450 -0.469,451 -1.414,452 -2,454 -3.636,455 -1.35,456 -0.357,457 -1.817,458 1.137,459 -0.887,460 -1.83,461 -2.725,463 -5.248,464 -1.731,465 -0.5,466 -2,467 1.012,468 -1,469 -2,470 -3,472 -5.427,473 -1.858,474 7.133,475 0.476,476 0.346,477 0.023,478 24.25,479 1.617,480 14.5,481 0.967,482 9.75,483 0.65,484 6.764,485 0.451,486 14.467,487 0.629,488 13.586,489 0.906,490 4.816,491 0.321,492 2.51,493 0.167,494 0.047,496 0.35,501 0.913,502 1.015,503 0.68,504 0.802,505 0.992,506 0.728,507 0.72,508 1.342,509 0.743,510 1.082,511 0.599,512 0.948,513 1.172,514 1.122,515 0.983,516 0.934,517 1.054,518 0.92,519 1.087,520 0.881,521 1.107,522 0.846,523 0.957,524 0.932,525 0.706,526 0.713,527 1.068,528 0.941,529 0.707,530 1.03,531 0.719,532 1.058,533 1.195,534 1.391,535 0.834,536 1.386,537 1.097,538 1.021,539 1.197,540 1.335,541 1.298,542 1.318,543 1.937,544 0.741,545 1.269,546 0.967,547 2.295,548 1.038,549 3,551 1.556,552 0.688,553 1.08,554 0.194,555 0.2,556 0.047,557 0.02,559 1649,560 4656,561 2.186,562 34.8,564 7,567 1,572 1.532,573 2.093,574 2.689,575 -0.265,579 1,582 35.022,583 1.523,584 2.38,585 2.941,586 3.762,587 4.089,588 4.176,589 2.174,590 3.64,591 3.884,592 2.69,593 282.408,594 6.513,595 2227.54,597 1,600 104.042,601 1.231,602 3.859,603 0.176,605 0.065,606 0.03,607 0.068,608 0.016,609 0.025,610 0.012,611 0.02,613 0.412,614 1,615 1,616 0.521,617 57.066,618 -0.12,619 -0.056,620 0.01,621 0.063,622 -0.211,623 0.055,624 -0.019,625 -0.361,626 -0.015,627 -0.229,628 0.026,629 -0.148,630 -0.121,631 -0.071,632 -0.059,633 -0.041,634 -0.102,635 -0.043,636 -0.062,637 0.175,638 -0.106,639 0.085,640 -0.041,641 0.013,642 0.104,643 0.244,644 -0.126,645 0.025,646 0.086,647 -0.057,648 0.009,649 -0.228,650 -0.243,651 -0.384,652 -0.006,653 -0.359,654 0.012,655 -0.236,656 -0.016,657 -0.234,658 0.024,659 -0.155,660 -0.195,661 0.042,662 0.163,663 0.225,664 -0.217,665 0.237,666 1.452,667 3.335,668 0.933,669 7.04,670 1.008,671 1.107,672 1.331,673 1.771,674 0.728,675 2.89,676 3.219,677 3.497,678 3.784,679 4.094,680 4.094,681 4.174,682 4.277,683 4.277,684 3.85,685 3.683,686 0.71,687 196.22,688 2.89,689 4.419,690 5.273,691 6.155,692 7.029,693 7.915,694 8.796,695 9.684,696 10.568,697 11.455,698 8.7,708 2,714 4,715 7,716 2,720 1,722 16,738 1,741 23,743 16,744 2,745 17,747 25,748 12,749 12,750 5,751 7,756 3,757 6,772 12,790 1,793 8,794 3,795 1,796 3,802 2,808 0.333,809 1,819 1,829 3,833 2,859 1,868 15,875 1,893 4.3,895 1,901 7.167,902 4.183,903 3.222,904 1.319,907 3.529,908 1.553,909 1.018,910 1.67,911 9.911,912 3.258,913 3.98,914 4.67,915 5.364,916 6.079,917 6.472,918 6.956,919 7.454,920 7.859,921 7.808,922 1,923 23,924 5.494,925 -0.001,926 2.377,927 0.026,929 7.789,931 10.386,933 8.591,936 2.289,937 34.333,938 0.003,941 82.398,942 74.91,943 33.571,945 42.683,948 74.91,949 125.081,950 33.571,953 66.334,954 76.254,955 8.577,957 82.398,959 82.398,960 108.481,961 42.683,964 82.398,965 42.683,968 8.577,969 66.334,970 33.571,972 82.398,973 76.254,974 74.91,977 82.398,978 8.577,979 66.334,981 76.254,982 82.398,983 76.254,984 74.91,986 0.583,987 0.338,988 0.189,989 0.114,990 14,991 5,994 2,995 1.286,996 2.786,997 104.723,998 0.286,999 14,1000 58.603,1005 8.332,1006 3.007,1007 1.337,1008 3.228,1009 76.254,1010 12.694,1011 8.861,1015 0.215,1017 42.683,1018 233.562,1019 25,1031 23.182,1032 25.452,1034 0.337,1035 0.526,1036 0.65,1037 0.832,1038 0.904,1039 0.923,1040 4.454,1041 -0.16,1042 5.252,1043 1.254,1044 3.892,1045 4.663,1047 6.052,1048 3.825,1049 5.7,1050 -0.402,1051 6.797,1052 -0.391,1053 3.434,1054 4.559,1056 6.88,1057 3.311,1058 7.027,1059 -0.744,1060 8.439,1061 -1.1,1062 5.468,1063 7.044,1065 9.982,1066 5.332,1067 8.393,1068 -1,1069 10.137,1070 -1.904,1071 5.802,1072 7.761,1074 11.619,1075 5.606,1076 9.789,1077 -1.174,1078 11.872,1079 -2.586,1080 7.318,1081 9.702,1083 14.221,1084 7.11,1085 11.206,1086 -1.414,1087 13.631,1088 -3.564,1089 8.047,1090 10.826,1092 16.208,1093 7.782,1094 12.641,1095 -1.83,1096 15.407,1097 -3.636,1098 9.331,1099 12.525,1101 18.618,1102 9.047,1103 3.064,1104 -2,1105 17.197,1106 -5.248,1107 10.257,1108 13.853,1110 20.763,1111 9.92,1112 2.604,1113 9.885,1114 18.996,1115 -5.427,1116 11.438,1117 15.444,1119 23.095,1120 11.075,1121 2.077,1122 8.246,1123 20.803,1124 4.585,1125 12.46,1126 16.869,1128 25.312,1129 12.047,1130 1.788,1131 5.816,1132 22.616,1133 3.855,1134 13.597,1135 18.414,1137 27.614,1138 13.153,1139 1.414,1140 5.118,1141 24.434,1142 2.888,1143 14.666,1144 19.887,1146 29.866,1147 14.175,1148 1.256,1149 3.323,1150 26.256,1151 2.669,1152 15.787,1153 21.414,1155 32.156,1156 15.26,1157 0.522,1158 3.006,1159 28.082,1160 2.117,1161 16.879,1162 22.91,1164 34.425,1165 16.307,1166 1602,1167 2768,1168 11.731,1169 16.75,1170 25.597,1171 25.419,1172 25.854,1173 25.505,1174 25.45,1175 37.532,1177 73.293,1178 24.585,1179 5.061,1180 5.078,1181 6.056,1182 5.098,1183 5.064,1184 7.585,1186 16.626,1187 4.946,1188 4.374,1189 1.506,1190 1.495,1191 1.521,1192 1.5,1193 1.497,1194 2.208,1196 4.311,1197 1.446,1198 4.125,1199 4.156,1200 4.098,1201 4.029,1202 6.471,1203 4.042,1204 3.764,1205 3.789,1206 3.702,1207 3.705,1208 5.102,1209 3.701,1210 3.171,1211 3.212,1212 3.101,1213 3.007,1214 4.538,1215 3.024,1216 3.04,1217 3.099,1218 2.961,1219 2.888,1220 4.166,1221 2.896,1222 2.806,1223 2.867,1224 2.659,1225 2.676,1226 4.008,1227 2.662,1228 2.619,1229 2.656,1230 2.517,1231 2.494,1232 3.547,1233 2.495,1234 2.208,1235 2.293,1236 2.02,1237 1.746,1238 3.237,1239 1.809,1240 1.963,1241 2.085,1242 1.748,1243 1.519,1244 3.089,1245 1.564,1246 0.268,1247 0.181,1248 0.375,1249 0.237,1250 0.18,1251 4.561,1252 0.27,1253 3.078,1255 6.372,1256 0.581,1257 4.027,1258 0.173,1259 3.064,1260 4.585,1262 9.885,1263 2.946,1264 2.067,1265 2.04,1266 2.127,1267 2.178,1268 1.2,1269 2.164,1270 1.766,1271 1.743,1272 1.882,1273 1.851,1274 0.968,1275 1.862,1276 1.107,1277 1.066,1278 1.251,1279 1.312,1280 0.274,1281 1.292,1282 1.006,1283 0.952,1284 1.205,1285 1.194,1286 0.231,1287 1.2,1288 0.817,1289 0.759,1290 1.099,1291 1.012,1292 0.148,1293 1.043,1294 0.588,1295 0.556,1296 0.816,1297 0.814,1299 0.813,1300 0.047,1302 0.552,1303 0.528,1305 0.545,1308 0.354,1309 0.27,1311 0.271,1312 3.555,1314 4.875,1316 6.415,1318 8.057,1320 9.748,1327 9.335,1340 16.338,1341 35.022,1342 54.739,1343 67.636,1344 86.532,1345 94.042,1346 96.042,1347 14.962,1348 6.382,1349 46.01,1350 46.01,1351 18,1352 11.987,1353 4.087,1354 3.17,1355 19.903,1356 36,1357 27,1358 0.314,1359 100.791,1360 158.69,1361 237.691,1362 4153,1364 10.251,1365 0.683,1366 0.526,1367 10.251,1368 7.883,1369 7.326,1370 0.431,1371 0.275,1372 4.638,1373 7.133,1374 4.552,1375 3.766,1376 7.326,1377 4.683,1378 6.714,1379 0.28,1380 0.141,1381 6.714,1382 3.385,1383 5.68,1384 0.177,1385 0.073,1386 5.68,1387 2.323,1388 4.843,1389 0.113,1390 0.037,1391 4.843,1392 1.609,1393 4.325,1394 0.073,1395 0.019,1396 4.325,1397 1.146,1398 0.461,1399 45.353,1400 0.292,1401 14.79,1402 0.954,1403 82,1404 233.44,1405 88.211,1406 232.727,1407 325.73,1408 218,1409 97,1410 248.664,1411 103.379,1412 253.407,1413 371.28,1414 240,1415 4.301}
{0 CHEMBL2071428,1 1.483,2 8,3 4.521,4 20.436,5 84.158,6 7.694,7 0.667,8 3.73,9 3.832,10 3.322,11 3.343,12 4.916,13 3.318,14 4.211,15 4.364,16 3.687,17 3.705,18 5.454,19 3.665,20 4.418,21 4.587,22 3.778,23 3.822,24 5.577,25 3.773,26 4.532,27 4.755,28 3.718,29 3.78,30 5.695,31 3.718,32 4.426,33 4.641,34 3.613,35 3.716,36 5.6,37 3.648,38 4.274,39 4.449,40 3.475,41 3.662,42 5.373,43 3.576,44 4.336,45 4.552,46 3.342,47 3.575,48 5.437,49 3.465,50 4.27,51 4.517,52 2.914,53 3.299,54 5.394,55 3.154,56 0.022,57 0.504,58 6.963,59 3.46,60 8.17,61 4.262,62 0.135,63 0.818,64 12.626,65 5.634,66 32.693,67 7.404,68 0.09,69 1.027,70 15.902,71 6.651,72 22.258,73 8.703,74 0.289,75 1.105,76 20.423,77 7.295,78 47.971,79 9.867,80 0.278,81 0.972,82 18.208,83 6.809,84 43.624,85 9.052,86 0.08,87 0.829,88 14.119,89 6.29,90 20.451,91 8.101,92 0.097,93 0.878,94 16.202,95 6.545,96 25.021,97 8.729,98 0.264,99 0.762,100 17.198,101 5.988,102 52.797,103 7.649,104 23,105 34,106 0.263,107 0.598,108 0.729,109 0.811,110 0.83,111 0.839,112 3.148,113 0.889,114 -3.93,115 -3.89,116 -3.69,121 47.4,122 2,123 1,137 1,138 1,144 6,145 2,148 4,160 1,170 1,174 1,176 11,177 1,180 5,183 1,185 1,187 10,188 1,191 1,192 10,193 1,197 1,200 7,201 1,205 1,206 7,207 1,209 1,211 1,214 7,215 1,218 1,219 3,222 1,224 1,227 11,228 1,232 4,237 1,239 12,240 3,244 5,249 3,251 8,252 2,256 2,261 2,264 5,265 1,269 1,274 1,277 5,278 2,281 592,282 14.637,283 14.637,284 14.637,285 14.637,286 14.637,287 12.309,288 10.254,289 8.602,290 14.741,291 11.854,292 11.854,293 11.854,294 11.854,295 11.854,296 8.405,297 11.551,298 4.07,299 12.045,300 3.765,301 1.873,302 1.132,303 0.671,304 0.566,305 0.513,306 3.828,311 1,312 1,313 370,314 3.317,318 125.628,322 136.979,325 1.273,326 22.196,328 1,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 47,338 176,339 4.673,340 3.613,341 6.73,342 4.179,343 3.207,344 4.697,345 1.437,346 10.986,347 3.117,348 4.305,349 3.183,350 6.418,351 3.87,352 2.878,353 4.076,354 0.68,355 9.837,356 2.85,357 3.765,358 2.805,359 5.583,360 3.339,361 2.354,362 3.201,363 0.68,364 7.17,365 2.31,366 3.638,367 2.609,368 5.163,369 3.188,370 2.192,371 2.915,373 6.012,374 2.178,375 3.36,376 2.187,377 4.652,378 2.904,379 1.919,380 2.676,382 5.085,383 1.885,384 3.101,385 1.776,386 4.474,387 2.591,388 1.622,389 2.381,391 4.361,392 1.568,393 2.848,394 1.572,395 3.951,396 2.337,397 1.342,398 2.005,400 3.104,401 1.331,402 2.807,403 1.334,404 3.758,405 2.295,406 1.303,407 1.886,409 3.037,410 1.281,411 2.203,412 1.18,413 3.342,414 1.799,415 0.818,416 1.069,418 1.973,419 0.798,420 1.683,421 0.702,422 2.943,423 1.413,424 0.433,425 0.533,427 1.019,428 0.423,429 1.207,430 0.421,431 2.728,432 0.717,433 -0.256,434 -0.362,436 -0.663,437 -0.248,438 1.114,439 -0.117,440 2.363,441 0.625,442 -0.346,443 -0.488,445 -0.954,446 -0.333,447 0.862,448 -0.271,449 2.305,450 0.394,451 -0.597,452 -0.845,454 -1.46,455 -0.588,456 0.553,457 -0.32,458 2.274,459 0.061,460 -0.934,461 -1,463 -2,464 -0.897,465 0.399,466 -0.53,467 1.884,469 -1,470 -1.236,472 -2,473 -0.988,474 10.467,475 0.476,476 0.613,477 0.028,478 30,479 1.364,480 16.5,481 0.75,482 13.5,483 0.614,484 16.01,485 0.728,486 22.533,487 0.593,488 21.045,489 0.957,490 5.97,491 0.271,492 4.589,493 0.209,494 0.159,496 0.382,501 0.747,502 1.09,503 0.762,504 0.946,505 0.744,506 0.874,507 0.442,508 1.135,509 0.683,510 0.938,511 0.378,512 0.861,513 0.751,514 1.299,515 0.905,516 1.117,517 0.683,518 1.044,519 0.916,520 0.932,521 0.867,522 0.833,523 0.812,524 0.829,525 0.919,526 0.761,527 0.895,528 0.8,529 0.872,530 0.826,531 0.831,532 1.143,533 1.073,534 1.199,535 0.862,536 1.18,537 0.847,538 1.153,539 1.121,540 1.252,541 0.781,542 1.223,543 1.658,544 0.877,545 1.356,546 1.024,547 1.696,548 1.126,549 4.5,550 0.025,551 2.667,552 1.375,553 1.551,554 0.924,555 0.549,556 0.286,557 0.213,558 0.124,559 4360,560 11809,561 2.043,562 42.1,563 8,564 7,567 1,572 1.651,573 1.886,574 3.018,575 -0.354,582 56.363,583 1.483,584 3.375,585 4.116,586 4.577,587 4.682,588 4.735,589 2.461,590 4.061,591 4.428,592 3.158,593 729.443,594 7.638,595 7805.64,597 1,600 199.421,601 1.495,602 4.376,603 0.188,604 0.004,605 0.078,606 0.038,607 0.047,608 0.031,609 0.021,610 0.014,611 0.018,612 0.014,613 0.452,614 0.67,615 1,616 1.37,617 99.221,618 -0.059,619 -0.043,620 0.021,621 0.036,622 -0.109,623 0.037,624 0.235,625 -0.103,626 0.172,627 0.038,628 0.244,629 0.083,630 0.011,631 -0.238,632 -0.023,633 -0.173,634 -0.009,635 -0.121,636 0.073,637 0.107,638 0.124,639 0.107,640 0.078,641 0.123,642 0.066,643 0.254,644 0.084,645 0.159,646 0.064,647 0.135,648 -0.066,649 -0.173,650 -0.182,651 -0.209,652 -0.08,653 -0.213,654 -0.033,655 -0.182,656 -0.166,657 -0.28,658 0.01,659 -0.242,660 -0.274,661 0.041,662 -0.276,663 -0.056,664 -0.232,665 -0.144,666 2.652,667 4.374,668 0.636,669 16,670 1.001,671 1.114,672 2.703,673 7.308,674 0.691,675 3.219,676 3.555,677 3.829,678 4.127,679 4.431,680 4.554,681 4.727,682 4.812,683 4.913,684 4.804,685 5.021,686 0.662,687 292.36,688 3.219,689 4.762,690 5.617,691 6.509,692 7.392,693 8.293,694 9.188,695 10.093,696 10.994,697 11.901,698 5.3,708 2,714 4,715 6,716 2,720 2,722 16,731 1,741 38,743 18,744 2,745 24,747 40,748 18,749 12,750 6,751 6,752 1,756 3,757 6,763 2,770 1,772 15,773 3,777 2,782 1,784 1,786 2,790 1,793 16,794 4,795 1,796 4,802 2,808 0.333,809 2,819 1,829 3,833 2,849 1,850 1,857 1,859 1,864 2,868 22,875 1,876 1,893 5.3,895 1,896 1,901 11.667,902 7.6,903 4.806,904 2.257,907 3.882,908 1.543,909 0.974,910 3.702,911 11.029,912 3.555,913 4.241,914 4.896,915 5.589,916 6.294,917 6.774,918 7.318,919 7.798,920 8.266,921 8.461,922 1,923 36,924 8.121,926 3.461,927 0.026,929 7.856,931 15.318,933 12.442,936 2.356,937 51.833,941 176.567,942 105.562,943 33.571,945 67.828,948 105.562,949 244.395,950 33.571,951 17.65,952 2.535,953 66.334,954 102.309,955 18.133,957 176.567,959 176.567,960 139.133,961 67.828,964 176.567,965 67.828,968 28.761,969 67.324,970 43.047,972 176.567,973 101.399,974 105.562,977 176.567,978 21.578,979 83.984,981 101.399,982 176.567,983 101.399,984 105.562,986 0.584,987 0.329,988 0.182,989 0.109,990 17,991 8,992 0.075,993 3,994 2,995 1.286,996 3.31,997 177.086,998 0.286,999 14,1000 96.107,1005 14.369,1006 5.667,1007 2.772,1008 2.592,1009 101.399,1010 10.908,1011 9.166,1015 1.234,1017 42.683,1018 383.528,1019 34,1024 11.374,1026 2.129,1028 0.248,1031 38.043,1032 42.322,1034 0.283,1035 0.643,1036 0.784,1037 0.872,1038 0.892,1039 0.902,1040 4.779,1041 1.303,1042 5.617,1043 3.104,1044 4.234,1045 4.927,1046 1.943,1047 6.454,1048 4.198,1049 6.031,1050 0.818,1051 7.192,1052 3.037,1053 3.892,1054 4.89,1056 7.427,1057 3.836,1058 7.366,1059 0.433,1060 8.871,1061 1.973,1062 5.844,1063 7.275,1064 2.339,1065 10.543,1066 5.767,1067 8.74,1068 -0.256,1069 10.61,1070 1.019,1071 6.293,1072 8.058,1074 12.344,1075 6.192,1076 10.144,1077 -0.346,1078 12.388,1079 -0.663,1080 7.754,1081 9.938,1082 2.943,1083 14.987,1084 7.632,1085 11.572,1086 -0.597,1087 14.193,1088 -0.954,1089 8.577,1090 11.118,1092 17.123,1093 8.426,1094 13.017,1095 -0.934,1096 16.017,1097 -1.46,1098 9.841,1099 12.789,1100 3.624,1101 19.597,1102 9.668,1103 3.207,1104 -1,1105 17.857,1106 -2,1107 10.84,1108 14.16,1110 21.873,1111 10.637,1112 2.878,1113 10.986,1114 19.707,1115 -2,1116 12.026,1117 15.745,1118 4.331,1119 24.285,1120 11.799,1121 2.354,1122 9.837,1123 21.565,1124 4.697,1125 13.106,1126 17.205,1128 26.618,1129 12.849,1130 2.192,1131 7.17,1132 23.43,1133 4.076,1134 14.265,1135 18.757,1136 5.048,1137 29.008,1138 13.981,1139 1.919,1140 6.012,1141 25.301,1142 3.201,1143 15.382,1144 20.257,1146 31.368,1147 15.068,1148 1.622,1149 5.085,1150 27.176,1151 2.915,1152 16.533,1153 21.797,1154 5.769,1155 33.751,1156 16.191,1157 1.342,1158 4.361,1159 29.054,1160 2.676,1161 17.668,1162 23.317,1164 36.123,1165 17.296,1166 4375,1167 7352,1168 15.72,1169 26.25,1170 36.437,1171 37.283,1172 37.364,1173 36.164,1174 36.137,1175 50.877,1176 5.593,1177 105.168,1178 35.485,1179 5.351,1180 5.613,1181 6.271,1182 5.251,1183 5.207,1184 7.697,1185 2.873,1186 18.082,1187 5.117,1188 11.74,1189 1.518,1190 1.553,1191 1.557,1192 1.507,1193 1.506,1194 2.12,1195 0.233,1196 4.382,1197 1.479,1198 4.147,1199 4.175,1200 4.124,1201 4.058,1202 7.475,1203 4.071,1204 3.828,1205 3.855,1206 3.768,1207 3.771,1208 6.351,1209 3.767,1210 3.666,1211 3.714,1212 3.551,1213 3.577,1214 5.099,1215 3.564,1216 3.317,1217 3.32,1218 3.273,1219 3.094,1220 4.587,1221 3.127,1222 3.147,1223 3.206,1224 3.041,1225 2.992,1226 4.418,1227 3,1228 3.122,1229 3.185,1230 2.985,1231 2.975,1232 4.153,1233 2.97,1234 2.874,1235 3.009,1236 2.642,1237 2.618,1238 4.105,1239 2.57,1240 2.766,1241 2.829,1242 2.499,1243 2.52,1244 3.662,1245 2.536,1246 0.195,1247 0.151,1248 0.28,1249 0.174,1250 0.134,1251 4.673,1252 0.196,1253 3.613,1254 0.06,1255 6.73,1256 0.458,1257 4.179,1258 0.13,1259 3.207,1260 4.697,1261 1.437,1262 10.986,1263 3.117,1264 2.087,1265 2.063,1266 2.143,1267 2.189,1268 1.282,1269 2.175,1270 1.832,1271 1.807,1272 1.969,1273 1.92,1274 1.108,1275 1.937,1276 1.677,1277 1.632,1278 1.864,1279 1.801,1280 0.968,1281 1.824,1282 1.205,1283 1.172,1284 1.48,1285 1.456,1286 0.64,1287 1.426,1288 1.115,1289 1.074,1290 1.417,1291 1.356,1292 0.469,1293 1.355,1294 1.102,1295 1.051,1296 1.272,1297 1.276,1298 0.299,1299 1.308,1300 0.934,1301 0.804,1302 1.248,1303 1.239,1304 0.226,1305 1.283,1306 0.693,1307 0.629,1308 0.963,1309 0.965,1310 0.04,1311 0.956,1312 3.892,1314 5.22,1316 6.756,1318 8.397,1320 10.097,1322 4.101,1327 9.323,1328 0.759,1340 25.16,1341 56.363,1342 128.26,1343 156.402,1344 173.911,1345 177.911,1346 179.911,1347 35.956,1348 7.147,1349 63.08,1350 63.08,1351 18,1352 12.42,1353 4.248,1354 3.459,1355 34.253,1356 66,1357 68,1358 0.266,1359 156.487,1360 266,1361 373.588,1362 10945,1364 15.69,1365 0.713,1366 0.568,1367 15.69,1368 12.498,1369 10.559,1370 0.44,1371 0.296,1372 7.052,1373 10.299,1374 6.786,1375 5.693,1376 10.559,1377 7.111,1378 9.82,1379 0.289,1380 0.161,1381 9.82,1382 5.473,1383 7.75,1384 0.172,1385 0.079,1386 7.75,1387 3.538,1388 6.623,1389 0.109,1390 0.04,1391 6.623,1392 2.429,1393 5.758,1394 0.069,1395 0.021,1396 5.758,1397 1.749,1398 0.401,1399 65.323,1400 0.252,1401 21.194,1402 0.781,1403 116,1404 335.175,1405 124.536,1406 331.143,1407 453.03,1408 308,1409 137,1410 334.3,1411 145.374,1412 343.042,1413 503.38,1414 322,1415 4.301}
{0 CHEMBL207777,1 1.486,2 9.667,3 3.706,4 13.736,5 88.385,6 7.567,7 0.444,8 3.885,9 3.977,10 3.474,11 3.418,12 4.971,13 3.416,14 4.45,15 4.581,16 3.897,17 3.835,18 5.582,19 3.819,20 4.694,21 4.848,22 3.912,23 3.983,24 5.72,25 3.934,26 4.773,27 4.998,28 3.738,29 3.88,30 5.764,31 3.795,32 4.626,33 4.843,34 3.633,35 3.649,36 5.739,37 3.597,38 4.372,39 4.564,40 3.363,41 3.379,42 5.512,43 3.354,44 4.056,45 4.222,46 3.378,47 3.362,48 5.265,49 3.326,50 4.191,51 4.362,52 3.291,53 3.43,54 5.4,55 3.363,56 0.043,57 0.573,58 8.607,59 4.248,60 6.814,61 5.05,62 0.46,63 0.944,64 17.424,65 7.29,66 36.546,67 8.934,68 0.295,69 1.197,70 22.688,71 9.274,72 28.64,73 11.347,74 0.395,75 1.254,76 27.378,77 9.741,78 41.45,79 12.88,80 0.488,81 1.026,82 24.323,83 8.099,84 50.47,85 10.401,86 0.611,87 0.752,88 19.572,89 5.845,90 57.321,91 6.802,92 0.277,93 0.634,94 12.196,95 4.772,96 27.397,97 6.109,98 0.421,99 0.729,100 14.402,101 4.991,102 50.064,103 6.227,104 10,105 40,106 0.259,107 0.617,108 0.796,109 0.876,110 0.892,111 0.892,112 3.229,113 0.89,114 -4.08,115 -4.03,116 -3.81,121 44.2,122 2,123 1,125 1,127 1,130 1,144 7,145 2,146 3,161 1,176 10,179 2,180 7,183 2,185 2,187 11,192 7,197 3,200 9,206 10,211 3,214 4,218 1,219 11,224 2,227 2,231 1,232 3,237 1,239 4,243 1,244 2,247 1,249 2,251 10,255 1,259 1,264 10,269 2,277 9,281 748,282 16.057,283 16.057,284 16.057,285 16.057,286 16.057,287 14.413,288 21.281,289 9.246,290 16.31,291 13.342,292 13.342,293 13.342,294 13.342,295 13.342,296 10.864,297 26.586,298 4.425,299 13.775,300 3.94,301 1.892,302 0.864,303 0.407,304 0.314,305 0.314,306 3.924,310 1,311 1,312 1,313 518,314 3.317,317 50.333,318 188.093,319 67.261,322 93.314,323 104.041,325 1.472,326 23.839,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 52.5,338 232,339 4.664,340 3.815,341 7.576,342 4.528,343 3.537,344 4.105,345 2.186,346 13.68,347 3.502,348 4.189,349 3.676,350 6.055,351 3.813,352 2.841,353 3.787,354 1.392,355 8.712,356 2.765,357 3.92,358 2.914,359 5.859,360 3.571,361 2.615,362 3.226,363 0.532,364 8.13,365 2.491,366 3.605,367 2.898,368 5.422,369 3.289,370 2.336,371 2.822,372 0.366,373 7.142,374 2.23,375 3.358,376 2.749,377 5.325,378 3.199,379 2.222,380 2.529,382 6.686,383 2.138,384 3.201,385 2.419,386 4.777,387 2.858,388 1.889,389 2.273,391 5.296,392 1.813,393 2.874,394 1.669,395 4.171,396 2.414,397 1.414,398 2.038,400 3.566,401 1.414,402 2.804,403 1.472,404 4.08,405 2.366,406 1.378,407 1.912,409 3.147,410 1.355,411 2.557,412 1.348,413 3.72,414 2.137,415 1.139,416 1.578,418 2.958,419 1.136,420 1.753,421 1.173,422 3.596,423 1.637,424 0.741,425 0.747,427 1.862,428 0.655,429 1.494,430 0.905,431 3.094,432 1.218,433 0.298,434 0.341,436 0.791,437 0.271,438 1.389,439 0.571,440 3.052,441 1.057,442 0.082,443 0.099,445 0.193,446 0.079,447 0.879,448 0.323,449 2.869,450 0.61,451 -0.348,452 -0.396,454 -0.991,455 -0.329,456 0.777,457 -0.1,458 2.43,459 0.419,460 -0.563,461 -0.632,463 -1.422,464 -0.551,465 0.689,466 -0.255,467 2.267,468 0.377,469 -0.639,470 -0.833,472 -1.813,473 -0.642,474 11.233,475 0.468,476 0.725,477 0.03,478 30.75,479 1.281,480 15,481 0.625,482 15.75,483 0.656,484 19.312,485 0.805,486 25.967,487 0.604,488 21.394,489 0.891,490 5.942,491 0.248,492 5.59,493 0.233,494 0.119,495 0.045,496 0.312,501 0.806,502 1.196,503 0.742,504 1.107,505 0.665,506 0.94,507 0.78,508 0.939,509 0.775,510 0.914,511 0.524,512 0.861,513 1.142,514 1.26,515 1.113,516 1.218,517 0.85,518 1.171,519 1.036,520 1.07,521 1.018,522 1.052,523 0.831,524 1.029,525 1.265,526 1.012,527 0.985,528 0.992,529 1.439,530 0.938,531 2.022,532 0.702,533 1.251,534 0.654,535 2.417,536 0.772,537 0.778,538 1.066,539 0.829,540 0.964,541 1.283,542 0.92,543 1.232,544 0.92,545 1.349,546 0.952,547 2.397,548 1.117,549 6.5,550 0.09,551 3.111,552 2.194,553 1.557,554 0.5,555 0.562,556 0.184,557 0.284,558 0.212,559 6802,560 17125,561 2.125,562 44.2,563 6,564 9,565 1,567 1,570 2,572 1.666,573 1.986,574 3.234,575 -0.342,577 1,579 1,582 63.908,583 1.486,584 3.534,585 4.562,586 5.019,587 5.112,588 5.112,589 2.62,590 4.502,591 4.562,592 3.408,593 940.545,594 7.852,595 11040.4,597 1,599 1,600 233.329,601 1.564,602 4.509,603 0.241,604 0.005,605 0.078,606 0.056,607 0.05,608 0.019,609 0.027,610 0.008,611 0.014,612 0.012,613 0.509,614 0.67,615 1,616 0.566,617 113.945,618 -0.036,619 -0.079,620 0.067,621 -0.056,622 -0.077,623 0.015,624 0.255,625 0.109,626 0.133,627 0.099,628 0.211,629 0.087,630 -0.145,631 -0.241,632 -0.194,633 -0.22,634 -0.086,635 -0.22,636 -0.085,637 -0.093,638 -0.024,639 -0.097,640 0.016,641 -0.053,642 -0.026,643 -0.07,644 0.064,645 -0.054,646 0.008,647 0.013,648 -0.29,649 0.223,650 -0.137,651 0.26,652 -0.373,653 0.121,654 0.182,655 -0.03,656 0.105,657 0.024,658 0.138,659 0.038,660 -0.099,661 0.168,662 -0.391,663 -0.016,664 -0.345,665 -0.214,666 2.174,667 5.152,668 0.75,669 18.083,670 1.008,671 1.118,672 2.851,673 8.129,674 0.667,675 3.332,676 3.714,677 3.989,678 4.29,679 4.522,680 4.575,681 4.691,682 4.718,683 4.86,684 4.927,685 5.906,686 0.642,687 325.39,688 3.332,689 4.905,690 5.771,691 6.681,692 7.566,693 8.479,694 9.374,695 10.289,696 11.191,697 12.108,698 2.3,705 1,715 7,720 5,722 12,737 1,739 1,741 43,743 13,744 2,745 27,747 46,748 19,749 12,750 5,751 7,756 4,757 7,763 2,764 1,766 1,767 1,770 1,772 13,773 6,777 1,782 1,786 1,790 1,793 19,794 5,795 1,796 5,802 1,808 0.5,809 4,815 1,828 1,829 3,830 1,833 1,834 1,858 1,859 2,864 2,868 24,876 2,877 1,878 3,880 1,882 1,893 9.3,896 1,897 1,898 2,901 12.083,902 8.333,903 5.056,904 2.535,907 2.199,908 1.295,909 0.976,910 3.74,911 9.645,912 3.555,913 4.143,914 4.644,915 5.183,916 5.677,917 5.775,918 6.075,919 6.293,920 6.534,921 6.736,922 1,923 39,924 8.899,926 3.885,927 0.026,929 7.733,931 17.019,933 14.404,936 2.233,937 53.583,940 1,941 211.88,942 117.848,943 18.011,945 58.145,948 117.848,949 270.024,950 18.011,951 17.65,952 25.138,953 66.693,954 36.145,955 41.615,956 18.534,957 200.109,959 211.88,960 135.859,961 58.145,964 188.338,965 70.687,966 11,967 0.36,968 42.788,969 92.711,972 211.88,973 76.155,974 117.848,977 212.239,978 33.504,979 83.984,980 18.011,981 58.145,982 211.88,983 76.155,984 117.848,986 0.598,987 0.347,988 0.188,989 0.102,990 22,991 9,992 0.065,993 3,994 3,995 1.278,996 3.639,997 202.49,998 0.333,999 17,1000 108.039,1005 15.486,1006 5.796,1007 2.909,1009 76.155,1010 13.021,1015 4.045,1017 18.011,1018 405.883,1019 34,1024 12.152,1028 -0.508,1031 43.363,1032 48.073,1034 0.274,1035 0.651,1036 0.841,1037 0.925,1038 0.942,1039 0.942,1040 4.836,1041 1.378,1042 5.808,1043 3.566,1044 4.394,1045 4.828,1046 2.637,1047 6.693,1048 4.334,1049 6.056,1050 1.139,1051 7.418,1052 3.147,1053 4.205,1054 4.705,1055 1.784,1056 7.958,1057 4.146,1058 7.386,1059 0.741,1060 9.14,1061 2.958,1062 6.107,1063 6.962,1064 3.7,1065 11.037,1066 6.001,1067 8.749,1068 0.298,1069 10.936,1070 1.862,1071 6.723,1072 7.585,1073 3.59,1074 13.179,1075 6.627,1076 10.143,1077 0.082,1078 12.784,1079 0.791,1080 8.164,1081 9.384,1082 5.007,1083 15.898,1084 8.039,1085 11.56,1086 -0.348,1087 14.67,1088 0.193,1089 9.14,1090 10.362,1091 5.289,1092 18.36,1093 9.024,1094 12.996,1095 -0.563,1096 16.586,1097 -0.991,1098 10.433,1099 11.965,1100 6.433,1101 20.997,1102 10.301,1103 3.537,1104 -0.639,1105 18.525,1106 -1.422,1107 11.568,1108 13.129,1109 6.93,1110 23.564,1111 11.439,1112 2.841,1113 13.68,1114 20.484,1115 -1.813,1116 12.82,1117 14.634,1118 7.922,1119 26.184,1120 12.682,1121 2.615,1122 8.712,1123 22.456,1124 4.105,1125 14.023,1126 15.899,1127 8.539,1128 28.784,1129 13.884,1130 2.336,1131 8.13,1132 24.441,1133 3.787,1134 15.269,1135 17.353,1136 9.444,1137 31.4,1138 15.123,1139 2.222,1140 7.142,1141 26.434,1142 3.226,1143 16.503,1144 18.674,1145 10.13,1146 34.011,1147 16.352,1148 1.889,1149 6.686,1150 28.435,1151 2.822,1152 17.753,1153 20.101,1154 10.985,1155 36.627,1156 17.594,1157 1.414,1158 5.296,1159 30.441,1160 2.529,1161 19,1162 21.456,1163 11.71,1164 39.241,1165 18.835,1166 6355,1167 10206,1168 18.087,1169 28.676,1170 41.396,1171 42.582,1172 42.341,1173 40.885,1174 40.984,1175 50.92,1176 8.951,1177 124.326,1178 39.701,1179 5.611,1180 5.815,1181 7.263,1182 5.619,1183 5.537,1184 7.105,1185 3.889,1186 21.662,1187 5.502,1188 10.427,1189 1.533,1190 1.577,1191 1.568,1192 1.514,1193 1.518,1194 1.886,1195 0.332,1196 4.605,1197 1.47,1198 4.047,1199 4.062,1200 3.995,1201 3.949,1202 7.435,1203 3.956,1204 3.924,1205 3.956,1206 3.861,1207 3.853,1208 4.951,1209 3.85,1210 3.658,1211 3.682,1212 3.578,1213 3.517,1214 4.759,1215 3.522,1216 3.36,1217 3.38,1218 3.309,1219 3.065,1220 4.619,1221 3.121,1222 3.169,1223 3.256,1224 2.986,1225 3.012,1226 4.236,1227 2.995,1228 3.141,1229 3.205,1230 2.962,1231 2.912,1232 3.998,1233 2.917,1234 2.88,1235 2.939,1236 2.755,1237 2.705,1238 3.906,1239 2.706,1240 2.797,1241 2.876,1242 2.621,1243 2.623,1244 3.848,1245 2.608,1246 0.173,1247 0.141,1248 0.281,1249 0.168,1250 0.131,1251 4.664,1252 0.152,1253 3.815,1254 0.081,1255 7.576,1256 0.507,1257 4.528,1258 0.13,1259 3.537,1260 4.105,1261 2.186,1262 13.68,1263 3.502,1264 1.948,1265 1.932,1266 2.05,1267 2.049,1268 1.352,1269 2.047,1270 1.911,1271 1.883,1272 2.033,1273 2.004,1274 1.135,1275 2.015,1276 1.546,1277 1.504,1278 1.754,1279 1.708,1280 0.921,1281 1.721,1282 1.296,1283 1.269,1284 1.553,1285 1.612,1286 0.772,1287 1.578,1288 1.211,1289 1.157,1290 1.541,1291 1.496,1292 0.604,1293 1.47,1294 1.173,1295 1.12,1296 1.328,1297 1.418,1298 0.455,1299 1.446,1300 0.882,1301 0.798,1302 1.312,1303 1.189,1304 0.27,1305 1.243,1306 0.842,1307 0.767,1308 1.103,1309 1.045,1310 0.17,1311 1.06,1312 4.007,1314 5.371,1315 2.398,1316 6.929,1317 4.844,1318 8.581,1319 7.034,1320 10.286,1322 4.078,1328 1.433,1329 2.765,1330 16.859,1332 -0.168,1334 -0.093,1340 27.622,1341 63.908,1342 151.973,1343 196.168,1344 215.82,1345 219.82,1346 219.82,1347 35.864,1348 7.446,1349 56.79,1350 56.79,1351 23,1352 12.621,1353 3.807,1354 3,1355 34.03,1356 86,1357 76,1358 0.194,1359 165.739,1360 293.7,1361 396.163,1362 17289,1364 16.734,1365 0.697,1366 0.569,1367 16.734,1368 13.666,1369 11.533,1370 0.427,1371 0.297,1372 7.883,1373 11.04,1374 7.64,1375 6.315,1376 11.533,1377 8.007,1378 11.143,1379 0.279,1380 0.165,1381 11.143,1382 6.611,1383 9.242,1384 0.174,1385 0.088,1386 9.242,1387 4.657,1388 7.959,1389 0.111,1390 0.045,1391 7.959,1392 3.27,1393 6.515,1394 0.072,1395 0.024,1396 6.515,1397 2.16,1398 0.305,1399 72.723,1400 0.235,1401 23.386,1402 0.532,1403 134,1404 403.275,1405 150.778,1406 376.348,1407 517.63,1408 354,1409 160,1410 386.072,1411 175.619,1412 385.78,1413 571.53,1414 362,1415 7.013}
{0 CHEMBL207931,1 1.506,2 9.962,3 2.958,4 8.752,5 96.931,6 7.562,7 0.607,8 3.958,9 4.044,10 3.53,11 3.438,12 5.137,13 3.447,14 4.464,15 4.608,16 3.846,17 3.778,18 5.564,19 3.787,20 4.564,21 4.675,22 4.041,23 3.961,24 5.78,25 3.957,26 4.747,27 4.89,28 4.017,29 4.036,30 5.896,31 4.002,32 4.902,33 5.098,34 3.927,35 4.033,36 5.983,37 3.967,38 4.783,39 4.99,40 3.806,41 3.948,42 5.857,43 3.852,44 4.74,45 4.984,46 3.674,47 3.81,48 5.754,49 3.714,50 4.564,51 4.786,52 3.506,53 3.595,54 5.607,55 3.534,56 0.08,57 0.604,58 9.495,59 4.596,60 11.986,61 5.352,62 0.42,63 0.921,64 18.844,65 6.955,66 31.313,67 8.14,68 0.452,69 1.084,70 18.884,71 8.082,72 30.184,73 9.702,74 0.315,75 1.269,76 23.483,77 9.693,78 34.101,79 11.875,80 0.77,81 1.38,82 31.152,83 10.765,84 65.403,85 13.718,86 0.642,87 1.256,88 27.042,89 10.174,90 56.227,91 13.601,92 0.572,93 1.168,94 27.472,95 9.405,96 56.628,97 12.964,98 0.482,99 0.957,100 22.992,101 7.306,102 50.517,103 9.532,104 42,105 39,106 0.258,107 0.553,108 0.643,109 0.721,110 0.757,111 0.786,112 3.305,113 0.861,114 -2.9,115 -2.91,116 -2.81,121 42.6,126 4,129 1,144 6,145 3,146 4,147 1,148 1,176 7,180 6,185 1,187 6,191 2,192 11,195 1,197 3,200 4,206 8,211 3,214 4,218 1,219 2,222 1,224 2,227 7,231 2,232 2,235 2,239 6,243 1,244 6,247 1,251 2,256 7,268 1,269 3,281 984,282 17.911,283 17.911,284 17.911,285 17.911,286 17.911,287 15.977,288 21.785,289 10.267,290 18.686,291 13.518,292 13.518,293 13.518,294 13.518,295 13.518,296 10.314,297 26.069,298 4.449,299 14.392,300 4.049,301 2.325,302 1.798,303 1.341,304 1.128,305 0.958,306 3.985,310 1,311 1,312 1,313 541,314 3.317,318 212.231,322 112.467,325 1.429,326 27.256,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 57.5,338 259,339 4.609,340 3.516,341 6.774,342 4.185,343 3.208,344 4.528,345 1.474,346 11.093,347 3.134,348 4.298,349 3.231,350 6.269,351 3.899,352 2.94,353 3.936,354 0.86,355 9.438,356 2.821,357 4.036,358 3.125,359 6.112,360 3.661,361 2.726,362 3.521,363 0.86,364 8.887,365 2.54,366 3.728,367 2.661,368 5.851,369 3.362,370 2.405,371 3.083,372 0.86,373 7.901,374 2.285,375 3.344,376 2.229,377 5.152,378 2.892,379 1.92,380 2.696,381 0.86,382 5.955,383 1.864,384 3.01,385 2.187,386 4.584,387 2.548,388 1.624,389 2.232,391 4.549,392 1.5,393 2.919,394 1.954,395 4.37,396 2.519,397 1.6,398 2.057,400 4.113,401 1.46,402 2.726,403 1.475,404 3.937,405 2.29,406 1.358,407 1.798,409 3.084,410 1.257,411 2.223,412 1.36,413 3.733,414 1.905,415 1,416 1.177,418 2.419,419 0.894,420 1.865,421 1.016,422 3.084,423 1.547,424 0.651,425 0.768,427 1.193,428 0.577,429 1.707,430 1,431 2.977,432 1.353,433 0.452,434 0.55,436 0.866,437 0.403,438 1.502,439 0.933,440 2.774,441 1.223,442 0.374,443 0.408,445 0.508,446 0.314,447 1.437,448 0.758,449 2.58,450 1.168,451 0.316,452 0.346,454 0.425,455 0.267,456 0.985,457 0.037,458 2.426,459 0.562,460 -0.373,461 -0.472,463 -0.751,464 -0.343,465 0.912,466 0.012,467 2.397,468 0.47,469 -0.47,470 -0.598,472 -0.909,473 -0.435,474 12.067,475 0.464,476 0.551,477 0.021,478 34.75,479 1.337,480 18,481 0.692,482 16.75,483 0.644,484 19.822,485 0.762,486 28.733,487 0.611,488 27.749,489 1.067,490 7.44,491 0.286,492 5.181,493 0.199,494 0.193,496 0.373,501 0.925,502 1.291,503 0.774,504 1.199,505 0.973,506 0.996,507 1.445,508 0.761,509 0.871,510 0.659,511 1.156,512 0.636,513 0.855,514 1.117,515 0.854,516 1.062,517 0.801,518 0.973,519 1.048,520 1.364,521 1.075,522 1.316,523 1.185,524 1.22,525 1.186,526 0.974,527 1.121,528 0.964,529 1.28,530 1.016,531 0.67,532 1.087,533 0.989,534 1.115,535 0.861,536 1.128,537 0.77,538 0.926,539 0.864,540 0.926,541 0.924,542 0.916,543 1.29,544 0.917,545 1.076,546 0.921,547 1.499,548 0.933,549 5,550 0.144,551 3.556,552 2,553 2.111,554 1.118,555 0.667,556 0.429,557 0.25,558 0.192,559 6916,560 20458,561 2.014,562 44.7,564 19,566 1,567 1,572 1.695,573 1.857,574 3.304,575 -0.332,576 1,577 1,582 70.779,583 1.506,584 3.23,585 3.756,586 4.214,587 4.427,588 4.597,589 2.73,590 4.316,591 4.671,592 3.403,593 1106.12,594 8.117,595 13385.4,597 1,599 1,600 261.066,601 1.502,602 4.615,603 0.179,604 0.011,605 0.091,606 0.043,607 0.049,608 0.029,609 0.02,610 0.015,611 0.01,612 0.01,613 0.458,614 0.33,615 1,616 1.054,617 125.392,618 -0.062,619 -0.165,620 0.053,621 -0.113,622 -0.134,623 -0.023,624 -0.246,625 0.279,626 0.09,627 0.344,628 -0.163,629 0.304,630 0.114,631 -0.007,632 0.022,633 -0.019,634 0.137,635 -0.02,636 -0.12,637 -0.304,638 -0.177,639 -0.293,640 -0.098,641 -0.257,642 -0.104,643 0.012,644 -0.13,645 0.002,646 -0.102,647 -0.059,648 0.16,649 -0.099,650 -0.039,651 -0.123,652 0.123,653 -0.131,654 0.081,655 0.028,656 0.134,657 0.034,658 0.113,659 0.086,660 -0.179,661 0.052,662 -0.047,663 0.008,664 -0.175,665 0.018,666 2.267,667 4.933,668 0.615,669 21.349,670 1.012,671 1.121,672 1.671,673 2.793,674 0.657,675 3.367,676 3.689,677 4.025,678 4.277,679 4.533,680 4.625,681 4.736,682 4.779,683 4.844,684 4.828,685 5.8,686 0.635,687 355.42,688 3.367,689 4.905,690 5.778,691 6.666,692 7.556,693 8.451,694 9.347,695 10.245,696 11.143,697 12.042,698 2.1,708 1,714 2,715 7,716 1,720 6,722 17,739 4,741 47,743 17,744 2,745 28,747 49,748 20,749 15,750 7,751 5,756 3,757 4,770 1,772 15,773 5,789 1,790 1,793 21,794 6,795 1,796 6,802 1,808 0.667,809 5,811 1,822 1,829 3,833 1,857 1,859 2,864 4,868 26,875 1,878 4,880 1,893 10.6,894 1,898 4,901 14,902 9.733,903 6.083,904 2.406,907 3.392,908 1.466,909 0.916,910 5.615,911 10.672,912 3.624,913 4.263,914 4.929,915 5.539,916 6.159,917 6.493,918 6.885,919 7.256,920 7.659,921 7.839,922 0.857,923 46,924 9.573,926 3.956,927 0.026,929 7.795,931 17.965,933 14.048,936 2.295,937 59.667,940 1,941 235.422,942 141.499,943 16.786,945 86.683,948 141.499,949 322.105,950 16.786,951 43.532,953 99.541,954 28.557,955 85.109,957 223.651,959 235.422,960 158.285,961 86.683,964 235.422,965 44,966 42.683,968 11.804,969 129.695,970 16.786,972 235.422,973 103.468,974 141.499,977 235.422,978 32.062,979 109.437,981 103.468,982 235.422,983 103.468,984 141.499,986 0.57,987 0.371,988 0.205,989 0.11,990 18,991 9,992 0.122,993 6,994 1,995 1.125,996 3.597,997 222.08,998 0.125,999 16,1000 122.211,1005 18.453,1006 7.912,1007 3.496,1008 1.68,1009 103.468,1010 12.487,1011 4.394,1015 3.517,1017 42.683,1018 480.39,1019 36.5,1031 47.574,1032 52.697,1034 0.271,1035 0.581,1036 0.676,1037 0.759,1038 0.797,1039 0.828,1040 4.854,1041 1.358,1042 5.771,1043 4.113,1044 4.369,1045 4.949,1046 2.321,1047 6.627,1048 4.265,1049 6.076,1050 1,1051 7.365,1052 3.084,1053 4.007,1054 4.856,1055 1.22,1056 7.633,1057 3.879,1058 7.405,1059 0.651,1060 9.057,1061 2.419,1062 6.009,1063 7.242,1064 2.371,1065 10.734,1066 5.838,1067 8.775,1068 0.452,1069 10.807,1070 1.193,1071 6.479,1072 7.968,1073 2.014,1074 12.521,1075 6.273,1076 10.176,1077 0.374,1078 12.591,1079 0.866,1080 7.936,1081 9.831,1082 2.696,1083 15.148,1084 7.71,1085 11.599,1086 0.316,1087 14.398,1088 0.508,1089 8.773,1090 10.939,1091 2.762,1092 17.255,1093 8.509,1094 13.037,1095 -0.373,1096 16.221,1097 0.425,1098 10.025,1099 12.589,1100 3.252,1101 19.721,1102 9.745,1103 3.208,1104 -0.47,1105 18.055,1106 -0.751,1107 11.025,1108 13.889,1109 3.515,1110 21.973,1111 10.713,1112 2.94,1113 11.093,1114 19.898,1115 -0.909,1116 12.2,1117 15.446,1118 3.936,1119 24.381,1120 11.871,1121 2.726,1122 9.438,1123 21.749,1124 4.528,1125 13.274,1126 16.843,1127 4.278,1128 26.702,1129 12.918,1130 2.405,1131 8.887,1132 23.605,1133 3.936,1134 14.422,1135 18.362,1136 4.675,1137 29.094,1138 14.048,1139 1.92,1140 7.901,1141 25.467,1142 3.521,1143 15.531,1144 19.809,1145 5.047,1146 31.451,1147 15.134,1148 1.624,1149 5.955,1150 27.332,1151 3.083,1152 16.672,1153 21.313,1154 5.437,1155 33.84,1156 16.256,1157 1.6,1158 4.549,1159 29.202,1160 2.696,1161 17.799,1162 22.786,1163 5.819,1164 36.215,1165 17.362,1166 6933,1167 12014,1168 18.205,1169 30.892,1170 40.916,1171 42.442,1172 44.399,1173 40.96,1174 41.144,1175 54.198,1176 9.827,1177 120.864,1178 38.636,1179 5.379,1180 5.516,1181 6.327,1182 5.224,1183 5.208,1184 7.528,1185 2.334,1186 18.507,1187 5.134,1188 14.636,1189 1.461,1190 1.516,1191 1.586,1192 1.463,1193 1.469,1194 1.936,1195 0.351,1196 4.317,1197 1.38,1198 4.102,1199 4.118,1200 4.07,1201 4.034,1202 6.451,1203 4.04,1204 3.907,1205 3.919,1206 3.863,1207 3.827,1208 5.018,1209 3.832,1210 3.541,1211 3.565,1212 3.481,1213 3.349,1214 4.914,1215 3.377,1216 3.336,1217 3.374,1218 3.228,1219 3.145,1220 4.711,1221 3.157,1222 3.248,1223 3.314,1224 3.061,1225 2.966,1226 4.497,1227 2.975,1228 3.247,1229 3.313,1230 3.051,1231 2.95,1232 4.496,1233 2.958,1234 3.109,1235 3.187,1236 2.915,1237 2.879,1238 4.271,1239 2.872,1240 3.089,1241 3.162,1242 2.89,1243 2.857,1244 4.068,1245 2.849,1246 0.165,1247 0.126,1248 0.242,1249 0.149,1250 0.115,1251 4.609,1252 0.162,1253 3.516,1254 0.053,1255 6.774,1256 0.396,1257 4.185,1258 0.112,1259 3.208,1260 4.528,1261 1.474,1262 11.093,1263 3.134,1264 2.054,1265 2.039,1266 2.114,1267 2.137,1268 1.286,1269 2.13,1270 1.875,1271 1.862,1272 1.965,1273 1.981,1274 1.098,1275 1.974,1276 1.448,1277 1.422,1278 1.641,1279 1.687,1280 0.663,1281 1.667,1282 1.273,1283 1.235,1284 1.58,1285 1.542,1286 0.598,1287 1.551,1288 1.193,1289 1.119,1290 1.575,1291 1.523,1292 0.576,1293 1.539,1294 1.19,1295 1.114,1296 1.573,1297 1.521,1298 0.573,1299 1.537,1300 1.095,1301 1.022,1302 1.414,1303 1.348,1304 0.503,1305 1.374,1306 1.088,1307 0.998,1308 1.351,1309 1.311,1310 0.459,1311 1.331,1312 4.043,1314 5.361,1316 6.907,1318 8.553,1320 10.249,1322 6.288,1327 10.933,1330 21.302,1332 -0.934,1340 29.863,1341 70.779,1342 151.799,1343 176.536,1344 198.046,1345 208.046,1346 216.046,1347 46.63,1348 7.28,1349 70.04,1350 70.04,1351 18,1352 12.565,1353 4.17,1354 3.248,1355 44.159,1356 89,1357 94,1358 0.246,1359 183.793,1360 318.61,1361 440.216,1362 12978,1364 18.681,1365 0.719,1366 0.583,1367 18.681,1368 15.146,1369 12.621,1370 0.451,1371 0.287,1372 7.831,1373 11.879,1374 7.521,1375 6.316,1376 12.621,1377 8.032,1378 10.596,1379 0.272,1380 0.145,1381 10.596,1382 5.641,1383 9.812,1384 0.178,1385 0.078,1386 9.812,1387 4.282,1388 8.057,1389 0.113,1390 0.041,1391 8.057,1392 2.92,1393 6.57,1394 0.071,1395 0.022,1396 6.57,1397 2.015,1398 0.377,1399 81.22,1400 0.234,1401 24.634,1402 0.703,1403 134,1404 456.737,1405 149.339,1406 420.74,1407 571.56,1408 398,1409 161,1410 406.919,1411 177.56,1412 415.415,1413 606.53,1414 384,1415 4.969}
{0 CHEMBL208092,1 1.196,2 15.763,3 6.964,4 48.495,5 163.588,6 5.851,7 0.262,8 4.52,9 4.671,10 3.88,11 4.075,12 5.367,13 3.993,14 5.14,15 5.355,16 4.274,17 4.54,18 5.88,19 4.425,20 5.503,21 5.752,22 4.442,23 4.781,24 6.238,25 4.638,26 5.687,27 5.971,28 4.412,29 4.846,30 6.382,31 4.668,32 5.697,33 5.988,34 4.268,35 4.829,36 6.364,37 4.622,38 5.697,39 6.008,40 4.037,41 4.757,42 6.298,43 4.505,44 5.642,45 5.995,46 3.835,47 4.592,48 6.134,49 4.316,50 5.354,51 5.681,52 3.718,53 4.398,54 5.881,55 4.148,56 0.119,57 1.259,58 22.247,59 9.034,60 13.908,61 13.319,62 0.221,63 2.143,64 39.902,65 15.866,66 21.921,67 23.59,68 0.356,69 2.922,70 56.463,71 21.179,72 39.531,73 32.178,74 0.512,75 3.298,76 66.36,77 24.201,78 55.047,79 37.001,80 0.45,81 3.247,82 66.263,83 24.79,84 53.112,85 37.641,86 0.396,87 3.077,88 64.56,89 25.366,90 48.718,91 37.84,92 0.367,93 2.703,94 59.149,95 23.228,96 39.575,97 34.66,98 0.286,99 2.123,100 45.078,101 18.264,102 28.725,103 26.881,104 27,105 61,106 0.18,107 0.488,108 0.728,109 0.842,110 0.872,111 0.879,112 3.667,113 1.096,114 -6.16,115 -6,116 -5.58,121 38.6,122 4,123 11,124 1,125 1,127 2,129 1,132 1,137 2,138 2,144 4,145 2,146 1,148 2,165 1,166 1,167 1,176 22,180 4,185 9,187 28,189 3,192 4,197 10,200 25,203 3,206 2,209 1,210 1,211 13,213 1,214 25,216 4,224 8,227 25,229 2,232 1,237 5,239 23,241 1,244 1,249 1,251 22,253 1,256 1,260 1,261 1,264 22,266 1,269 1,274 1,277 18,279 1,281 2600,282 25.686,283 25.686,284 25.686,285 25.686,286 25.686,287 23.729,288 30.332,289 15.215,290 25.876,291 20.714,292 20.714,293 20.714,294 20.714,295 20.714,296 17.919,297 43.256,298 7.149,299 21.039,300 5.263,301 3.218,302 1.628,303 0.87,304 0.671,305 0.625,306 4.372,313 1319,314 4.528,318 526.998,320 156.056,322 336.19,325 2.101,326 20.975,329 0.5,330 0.5,331 0.67,332 0.9,333 1,334 0.83,335 1,336 0.77,337 78,338 599,339 4.781,340 3.987,341 7.87,342 4.705,343 3.713,344 4.564,345 1.039,346 14.681,347 3.682,348 4.64,349 3.361,350 7.345,351 4.207,352 3.226,353 3.93,354 0.68,355 12.556,356 3.162,357 4.221,358 3.353,359 6.829,360 4.177,361 3.191,362 3.437,363 0.4,364 11.348,365 3.147,366 3.914,367 2.681,368 5.982,369 3.524,370 2.532,371 3.254,372 0.4,373 8.37,374 2.512,375 3.632,376 2.669,377 5.929,378 3.305,379 2.32,380 2.893,381 0.341,382 7.722,383 2.286,384 3.522,385 2.52,386 5.381,387 3.136,388 2.182,389 2.844,391 6.711,392 2.089,393 3.371,394 2.356,395 5.122,396 3.096,397 2.103,398 2.43,400 5.996,401 2.079,402 2.942,403 1.96,404 4.582,405 2.876,406 1.883,407 2.142,409 4.271,410 1.87,411 2.907,412 1.821,413 4.116,414 2.612,415 1.64,416 1.912,418 3.764,419 1.592,420 2.716,421 1.63,422 4.026,423 2.511,424 1.522,425 1.722,427 3.368,428 1.503,429 2.596,430 1.485,431 3.982,432 2.345,433 1.369,434 1.615,436 3.329,437 1.343,438 2.491,439 1.427,440 3.844,441 2.341,442 1.347,443 1.489,445 3.059,446 1.327,447 2.435,448 1.35,449 3.64,450 2.242,451 1.247,452 1.417,454 2.902,455 1.24,456 2.143,457 1.311,458 3.594,459 2.041,460 1.066,461 1.115,463 2.44,464 1.037,465 1.99,466 1.165,467 3.498,468 1.836,469 0.839,470 0.921,472 1.955,473 0.836,474 18.6,475 0.489,476 1.013,477 0.027,478 35.25,479 0.928,480 12.5,481 0.329,482 22.75,483 0.599,484 54.65,485 1.438,486 43.2,487 0.491,488 22.076,489 0.581,490 5.347,491 0.141,492 12.984,493 0.342,494 0.129,495 0.054,496 0.242,501 1.165,502 1.257,503 1.087,504 1.149,505 1.295,506 1.119,507 0.993,508 1.196,509 0.997,510 1.088,511 0.796,512 1.05,513 1.222,514 1.214,515 1.066,516 1.104,517 1.139,518 1.081,519 1.291,520 1.052,521 1.057,522 1.012,523 1.065,524 1.019,525 1.34,526 1.059,527 1.154,528 1.077,529 1.28,530 1.1,531 0.999,532 1.044,533 1.117,534 1.105,535 1.176,536 1.116,537 0.771,538 0.762,539 0.829,540 0.809,541 0.717,542 0.82,543 0.687,544 0.861,545 0.92,546 0.936,547 0.731,548 0.941,549 8,550 0.153,551 5.333,552 3.813,553 3.329,554 1.153,555 0.544,556 0.342,557 0.263,558 0.208,559 27682,560 44609,561 2.084,562 56.8,563 25,564 11,567 4,568 2,569 6,570 2,572 1.778,573 1.949,574 3.798,575 1.318,582 105.263,583 1.196,584 3.242,585 4.831,586 5.59,587 5.789,588 5.834,589 3.092,590 4.544,591 5.232,592 4.1,593 2882.23,594 9.148,595 53260.8,600 568.43,601 1.557,602 5.169,603 0.19,604 0.005,605 0.087,606 0.055,607 0.052,608 0.022,609 0.014,610 0.01,611 0.009,612 0.007,613 0.453,615 0.63,616 0.661,617 217.111,618 -0.026,619 0.042,620 0.053,621 0.062,622 -0.128,623 0.062,624 0.052,625 -0.034,626 0.076,627 0.031,628 0.101,629 0.051,630 -0.004,631 -0.107,632 -0.012,633 -0.056,634 0.018,635 -0.039,636 0.012,637 -0.011,638 -0.031,639 -0.03,640 0.065,641 -0.033,642 -0.163,643 -0.04,644 -0.145,645 -0.095,646 -0.111,647 -0.115,648 -0.109,649 -0.092,650 -0.151,651 -0.132,652 -0.171,653 -0.142,654 0.02,655 0.098,656 0.093,657 0.108,658 0.008,659 0.106,660 0.054,661 0.046,662 0.021,663 0.026,664 0.004,665 0.022,666 1.419,667 3.007,668 0.605,669 39.64,670 0.974,671 1.131,672 4.926,673 24.27,674 0.631,675 3.761,676 4.127,677 4.443,678 4.762,679 5.05,680 5.106,681 5.187,682 5.193,683 5.159,684 5.004,685 9.811,686 0.57,687 514.88,688 3.761,689 5.333,690 6.209,691 7.125,692 8.028,693 8.954,694 9.87,695 10.799,696 11.722,697 12.654,698 4.5,699 1,700 1,703 1,708 1,714 2,715 4,716 1,720 3,722 11,734 1,741 88,743 13,744 1,745 42,747 92,748 34,749 9,750 2,751 4,756 5,757 9,763 4,764 1,766 1,767 7,768 2,770 12,772 13,773 21,774 2,777 2,784 2,786 2,793 50,794 4,795 4,796 4,802 4,808 0.4,822 1,829 5,831 1,833 2,849 2,850 2,851 1,853 1,859 2,864 4,868 38,869 1,876 13,877 2,880 2,882 2,901 19.5,902 16.45,903 8.306,904 6.044,907 2.747,908 1.319,909 0.959,910 8.431,911 11.37,912 3.922,913 4.483,914 5.027,915 5.599,916 6.147,917 6.422,918 6.747,919 7.035,920 7.29,921 7.098,922 0.9,923 69,924 14.205,926 6.049,927 0.026,929 7.298,931 28.971,933 25.406,936 1.798,937 68.333,941 541.471,942 144.037,943 85.704,948 144.037,949 541.471,950 85.704,951 35.301,952 64.988,953 74.868,954 34.796,955 19.787,957 541.471,959 541.471,960 229.741,964 447.302,965 94.169,968 123.201,969 52.791,970 53.749,972 541.471,973 85.704,974 144.037,977 541.471,978 51.879,979 92.158,980 36.022,981 49.683,982 541.471,983 85.704,984 144.037,986 0.583,987 0.352,988 0.204,989 0.119,990 30,991 13,992 0.109,993 10,994 4,995 1.304,996 4.847,997 368.016,998 0.348,999 22,1000 197.421,1005 27.563,1006 11.623,1007 5.673,1008 2.432,1009 85.704,1010 8.644,1011 4.978,1015 4.156,1017 68.919,1018 771.212,1019 49.5,1026 4.791,1028 2.918,1031 85.73,1032 99.543,1034 0.185,1035 0.502,1036 0.748,1037 0.865,1038 0.896,1039 0.903,1040 5.219,1041 1.883,1042 6.244,1043 5.996,1044 4.812,1045 5.17,1046 1.601,1047 7.177,1048 4.781,1049 6.43,1050 1.64,1051 7.884,1052 4.271,1053 4.635,1054 5.112,1056 8.58,1057 4.593,1058 7.775,1059 1.522,1060 9.653,1061 3.764,1062 6.567,1063 7.344,1064 1.359,1065 11.709,1066 6.51,1067 9.159,1068 1.369,1069 11.504,1070 3.368,1071 7.252,1072 8.121,1074 13.935,1075 7.187,1076 10.583,1077 1.347,1078 13.407,1079 3.329,1080 8.712,1081 9.886,1082 1.319,1083 16.699,1084 8.634,1085 12.034,1086 1.247,1087 15.345,1088 3.059,1089 9.757,1090 11.041,1092 19.197,1093 9.671,1094 13.506,1095 1.066,1096 17.307,1097 2.902,1098 11.073,1099 12.636,1100 1.34,1101 21.874,1102 10.977,1103 3.713,1104 0.839,1105 19.287,1106 2.44,1107 12.26,1108 13.97,1110 24.47,1111 12.156,1112 3.226,1113 14.681,1114 21.279,1115 1.955,1116 13.539,1117 15.501,1118 1.383,1119 27.129,1120 13.426,1121 3.191,1122 12.556,1123 23.282,1124 4.564,1125 14.782,1126 16.923,1128 29.764,1129 14.661,1130 2.532,1131 11.348,1132 25.293,1133 3.93,1134 16.057,1135 18.433,1136 1.435,1137 32.424,1138 15.928,1139 2.32,1140 8.37,1141 27.309,1142 3.437,1143 17.324,1144 19.897,1146 35.079,1147 17.188,1148 2.182,1149 7.722,1150 29.332,1151 3.254,1152 18.604,1153 21.402,1154 1.492,1155 37.744,1156 18.461,1157 2.103,1158 6.711,1159 31.358,1160 2.893,1161 19.885,1162 22.889,1164 40.409,1165 19.734,1166 25654,1167 32735,1168 27.909,1169 55.535,1170 63.453,1171 63.441,1172 65.541,1173 62.799,1174 62.818,1175 74.022,1176 5.721,1177 190.56,1178 61.808,1179 5.781,1180 5.987,1181 7.778,1182 5.746,1183 5.713,1184 7.564,1185 2.079,1186 23.538,1187 5.682,1188 19.178,1189 1.511,1190 1.51,1191 1.56,1192 1.495,1193 1.496,1194 1.762,1195 0.136,1196 4.537,1197 1.472,1198 4.124,1199 4.158,1200 4.078,1201 4.05,1202 5.03,1203 4.053,1204 4.052,1205 4.088,1206 3.979,1207 3.98,1208 4.969,1209 3.976,1210 3.771,1211 3.837,1212 3.624,1213 3.655,1214 4.512,1215 3.64,1216 3.732,1217 3.781,1218 3.606,1219 3.639,1220 4.413,1221 3.622,1222 3.619,1223 3.69,1224 3.479,1225 3.483,1226 4.296,1227 3.472,1228 3.517,1229 3.591,1230 3.352,1231 3.369,1232 4.242,1233 3.355,1234 3.449,1235 3.516,1236 3.301,1237 3.336,1238 4.18,1239 3.319,1240 3.364,1241 3.447,1242 3.204,1243 3.201,1244 4.084,1245 3.192,1246 0.114,1247 0.095,1248 0.187,1249 0.112,1250 0.088,1251 4.781,1252 0.109,1253 3.987,1254 0.025,1255 7.87,1256 0.35,1257 4.705,1258 0.088,1259 3.713,1260 4.564,1261 1.039,1262 14.681,1263 3.682,1264 2.072,1265 2.046,1266 2.171,1267 2.163,1268 1.547,1269 2.163,1270 2.037,1271 2.004,1272 2.159,1273 2.138,1274 1.437,1275 2.152,1276 1.782,1277 1.719,1278 2.029,1279 1.946,1280 1.385,1281 1.978,1282 1.754,1283 1.708,1284 1.949,1285 1.872,1286 1.173,1287 1.902,1288 1.621,1289 1.559,1290 1.862,1291 1.806,1292 1.128,1293 1.828,1294 1.533,1295 1.462,1296 1.809,1297 1.719,1298 1.067,1299 1.754,1300 1.475,1301 1.414,1302 1.752,1303 1.643,1304 0.899,1305 1.684,1306 1.363,1307 1.29,1308 1.646,1309 1.582,1310 0.838,1311 1.609,1312 4.443,1314 5.796,1316 7.368,1318 9.061,1320 10.826,1322 9.297,1326 7.007,1328 15.399,1329 7.771,1332 0.92,1334 0.02,1340 50.202,1341 105.263,1342 285.288,1343 425.146,1344 491.901,1345 509.41,1346 513.41,1347 72.332,1348 8.623,1349 62.97,1350 62.97,1351 30,1352 13.156,1353 3.807,1354 3.087,1355 59.891,1356 238,1357 150,1358 0.121,1359 306.629,1360 538.68,1361 739.934,1362 95345,1364 26.753,1365 0.704,1366 0.64,1367 26.753,1368 24.336,1369 18.331,1370 0.436,1371 0.365,1372 15.273,1373 18.104,1374 14.716,1375 12.293,1376 18.331,1377 15.339,1378 16.911,1379 0.277,1380 0.212,1381 16.911,1382 12.931,1383 14.244,1384 0.17,1385 0.116,1386 14.244,1387 9.75,1388 12.526,1389 0.108,1390 0.066,1391 12.526,1392 7.639,1393 10.707,1394 0.069,1395 0.039,1396 10.707,1397 6.077,1398 0.202,1399 111.555,1400 0.189,1401 35.334,1402 0.304,1403 206,1404 347.623,1405 212.855,1406 356.854,1407 515.03,1408 338,1409 248,1410 399.761,1411 255.66,1412 415.546,1413 615.66,1414 393,1415 7.783}
{0 CHEMBL208132,1 1.486,2 8.583,3 2.975,4 8.849,5 90.468,6 7.567,7 0.654,8 3.867,9 3.956,10 3.443,11 3.383,12 5.042,13 3.383,14 4.365,15 4.506,16 3.76,17 3.729,18 5.466,19 3.724,20 4.494,21 4.621,22 3.941,23 3.896,24 5.671,25 3.881,26 4.655,27 4.796,28 3.945,29 3.951,30 5.844,31 3.918,32 4.792,33 4.985,34 3.864,35 3.955,36 5.894,37 3.891,38 4.721,39 4.938,40 3.721,41 3.872,42 5.776,43 3.781,44 4.599,45 4.834,46 3.549,47 3.737,48 5.595,49 3.636,50 4.428,51 4.65,52 3.267,53 3.523,54 5.423,55 3.402,56 0.054,57 0.551,58 8.56,59 4.186,60 11.113,61 4.905,62 0.3,63 0.855,64 16.539,65 6.455,66 25.766,67 7.579,68 0.307,69 1.014,70 17.648,71 7.561,72 25.551,73 9.211,74 0.336,75 1.156,76 21.447,77 8.754,78 37.129,79 10.654,80 0.532,81 1.272,82 27.247,83 9.866,84 54.977,85 12.485,86 0.513,87 1.191,88 25.864,89 9.444,90 55.283,91 12.486,92 0.423,93 1.066,94 23.132,95 8.24,96 41.896,97 11.164,98 0.386,99 0.863,100 19.467,101 7.098,102 37.632,103 9.331,104 26,105 36,106 0.259,107 0.568,108 0.687,109 0.778,110 0.813,111 0.855,112 3.23,113 0.866,114 -3.18,115 -3.17,116 -3.05,121 44.2,126 3,129 1,144 7,145 3,146 3,147 1,148 1,176 8,180 6,185 1,187 8,191 1,192 9,195 1,197 2,200 5,206 6,209 1,211 4,214 3,218 2,219 4,224 3,227 6,231 1,232 4,235 1,239 7,244 4,247 1,251 6,255 1,256 3,264 2,268 1,269 3,281 776,282 16.593,283 16.593,284 16.593,285 16.593,286 16.593,287 14.632,288 17.38,289 9.65,290 17.195,291 12.614,292 12.614,293 12.614,294 12.614,295 12.614,296 9.483,297 20.064,298 4.25,299 13.304,300 3.94,301 2.166,302 1.481,303 0.96,304 0.756,305 0.518,306 3.91,310 1,311 1,312 1,313 432,314 3.082,318 186.273,322 97.266,325 1.333,326 23.645,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 52.5,338 206,339 4.614,340 3.555,341 6.821,342 4.2,343 3.224,344 4.529,345 1.474,346 11.241,347 3.146,348 4.282,349 3.229,350 6.387,351 3.906,352 2.941,353 3.87,354 0.86,355 9.78,356 2.839,357 3.972,358 2.889,359 6.039,360 3.552,361 2.609,362 3.486,363 0.86,364 8.598,365 2.448,366 3.514,367 2.489,368 5.478,369 3.119,370 2.159,371 2.885,372 0.86,373 6.761,374 2.067,375 3.102,376 2.215,377 4.791,378 2.699,379 1.753,380 2.32,382 5.033,383 1.656,384 2.917,385 1.824,386 4.431,387 2.467,388 1.518,389 2.103,391 4.028,392 1.438,393 2.915,394 1.566,395 3.91,396 2.411,397 1.45,398 2.075,400 3.104,401 1.386,402 2.678,403 1.467,404 3.716,405 2.262,406 1.331,407 1.737,409 3.062,410 1.23,411 2.163,412 1.121,413 3.524,414 1.809,415 0.878,416 1.091,418 2.08,419 0.809,420 1.768,421 1,422 3.03,423 1.421,424 0.519,425 0.625,427 0.963,428 0.463,429 1.578,430 0.939,431 2.774,432 1.267,433 0.388,434 0.451,436 0.624,437 0.338,438 1.497,439 0.755,440 2.701,441 1.22,442 0.371,443 0.405,445 0.505,446 0.313,447 0.985,448 0.027,449 2.418,450 0.559,451 -0.376,452 -0.478,454 -0.768,455 -0.346,456 0.912,457 -0.121,458 2.36,459 0.469,460 -0.473,461 -0.635,463 -1.061,464 -0.442,465 0.698,466 -0.268,467 2.237,468 0.314,469 -0.612,470 -0.733,472 -1.232,473 -0.555,474 11.233,475 0.468,476 0.483,477 0.02,478 32.75,479 1.365,480 17.5,481 0.729,482 15.25,483 0.635,484 17.356,485 0.723,486 25.967,487 0.604,488 25.004,489 1.042,490 6.956,491 0.29,492 4.734,493 0.197,494 0.163,496 0.356,501 0.915,502 1.216,503 0.775,504 1.125,505 0.978,506 0.958,507 1.392,508 0.819,509 0.885,510 0.724,511 1.123,512 0.704,513 0.877,514 1.098,515 0.843,516 1.042,517 0.83,518 0.951,519 1.078,520 1.307,521 1.068,522 1.255,523 1.135,524 1.175,525 1.191,526 1.034,527 1.088,528 1.02,529 1.356,530 1.033,531 0.904,532 1.002,533 0.998,534 0.991,535 1.215,536 1.01,537 0.822,538 0.908,539 0.974,540 0.939,541 0.678,542 0.967,543 0.973,544 1.047,545 1.163,546 1.129,547 1.098,548 1.174,549 4,550 0.049,551 3.111,552 1.938,553 1.88,554 0.944,555 0.527,556 0.378,557 0.205,558 0.111,559 5430,560 15452,561 2.04,562 44.2,564 17,566 1,567 1,572 1.676,573 1.895,574 3.118,575 -0.342,576 1,577 1,579 1,582 63.908,583 1.486,584 3.26,585 3.945,586 4.466,587 4.67,588 4.908,589 2.519,590 4.137,591 4.557,592 3.22,593 888.631,594 7.9,595 10080.6,597 1,599 1,600 233.329,601 1.459,602 4.507,603 0.154,604 0.007,605 0.086,606 0.046,607 0.047,608 0.026,609 0.017,610 0.015,611 0.011,612 0.009,613 0.419,614 0.33,615 1,616 0.997,617 111.538,618 -0.058,619 -0.123,620 0.047,621 -0.073,622 -0.141,623 -0.005,624 -0.221,625 0.218,626 0.056,627 0.273,628 -0.161,629 0.231,630 0.077,631 -0.023,632 0.041,633 -0.03,634 0.096,635 -0.007,636 -0.033,637 -0.271,638 -0.152,639 -0.263,640 0.022,641 -0.237,642 -0.088,643 -0.046,644 -0.101,645 -0.057,646 -0.083,647 -0.082,648 0.034,649 -0.028,650 -0.014,651 -0.021,652 -0.039,653 -0.029,654 0.025,655 0.084,656 0.011,657 0.019,658 0.075,659 0.021,660 -0.004,661 -0.1,662 -0.17,663 -0.162,664 -0.097,665 -0.191,666 2.247,667 4.877,668 0.667,669 17.417,670 1.008,671 1.118,672 1.948,673 3.793,674 0.667,675 3.296,676 3.611,677 3.951,678 4.22,679 4.466,680 4.522,681 4.635,682 4.682,683 4.745,684 4.673,685 5.228,686 0.642,687 325.39,688 3.296,689 4.828,690 5.7,691 6.589,692 7.48,693 8.377,694 9.274,695 10.173,696 11.073,697 11.974,698 2.3,708 1,714 2,715 8,716 1,720 5,722 17,739 3,741 43,743 17,744 2,745 26,747 45,748 19,749 15,750 6,751 6,756 3,757 4,770 1,772 15,773 4,789 1,790 1,793 19,794 5,795 1,796 5,802 1,808 0.667,809 4,811 1,822 1,829 3,833 1,857 1,859 2,864 3,868 24,875 1,878 3,880 1,893 9.3,894 1,898 3,901 12.667,902 8.65,903 5.583,904 2.253,907 3.426,908 1.482,909 0.927,910 4.88,911 10.531,912 3.57,913 4.205,914 4.873,915 5.491,916 6.106,917 6.418,918 6.826,919 7.203,920 7.598,921 7.724,922 0.833,923 42,924 8.843,926 3.679,927 0.026,929 7.771,931 16.656,933 13.161,936 2.271,937 54.5,940 1,941 211.88,942 134.849,943 16.786,945 75.683,948 134.849,949 287.563,950 16.786,951 32.649,953 109.017,954 28.557,955 68.866,957 200.109,959 211.88,960 151.634,961 75.683,964 211.88,965 33,966 42.683,968 11.804,969 123.045,970 16.786,972 211.88,973 92.469,974 134.849,977 211.88,978 26.819,979 108.03,981 92.469,982 211.88,983 92.469,984 134.849,986 0.568,987 0.368,988 0.21,989 0.113,990 17,991 8,992 0.111,993 5,994 1,995 1.125,996 3.434,997 200.555,998 0.125,999 16,1000 110.039,1005 16.555,1006 7.074,1007 3.06,1008 1.708,1009 92.469,1010 14.592,1011 4.388,1015 3.039,1017 42.683,1018 439.197,1019 34.5,1031 43.363,1032 48.073,1034 0.274,1035 0.601,1036 0.727,1037 0.823,1038 0.861,1039 0.905,1040 4.79,1041 1.331,1042 5.687,1043 3.104,1044 4.29,1045 4.89,1046 2.164,1047 6.544,1048 4.2,1049 6.007,1050 0.878,1051 7.277,1052 3.062,1053 3.892,1054 4.745,1055 1.22,1056 7.561,1057 3.775,1058 7.33,1059 0.519,1060 8.972,1061 2.08,1062 5.922,1063 7.178,1064 2.263,1065 10.688,1066 5.772,1067 8.697,1068 0.388,1069 10.728,1070 0.963,1071 6.382,1072 7.88,1073 2.014,1074 12.51,1075 6.197,1076 10.097,1077 0.371,1078 12.521,1079 0.624,1080 7.858,1081 9.771,1082 2.64,1083 15.159,1084 7.657,1085 11.521,1086 -0.376,1087 14.34,1088 0.505,1089 8.701,1090 10.873,1091 2.762,1092 17.301,1093 8.464,1094 12.962,1095 -0.473,1096 16.176,1097 -0.768,1098 9.966,1099 12.538,1100 3.228,1101 19.788,1102 9.715,1103 3.224,1104 -0.612,1105 18.024,1106 -1.061,1107 10.978,1108 13.837,1109 3.515,1110 22.068,1111 10.695,1112 2.941,1113 11.241,1114 19.881,1115 -1.232,1116 12.163,1117 15.403,1118 3.927,1119 24.498,1120 11.864,1121 2.609,1122 9.78,1123 21.746,1124 4.529,1125 13.25,1126 16.802,1127 4.278,1128 26.841,1129 12.923,1130 2.159,1131 8.598,1132 23.617,1133 3.87,1134 14.408,1135 18.326,1136 4.672,1137 29.252,1138 14.063,1139 1.753,1140 6.761,1141 25.492,1142 3.486,1143 15.529,1144 19.776,1145 5.047,1146 31.627,1147 15.158,1148 1.518,1149 5.033,1150 27.372,1151 2.885,1152 16.679,1153 21.284,1154 5.436,1155 34.032,1156 16.289,1157 1.45,1158 4.028,1159 29.256,1160 2.32,1161 17.817,1162 22.76,1163 5.819,1164 36.424,1165 17.402,1166 5427,1167 9242,1168 17.107,1169 28.676,1170 38.157,1171 39.286,1172 40.879,1173 38.148,1174 38.282,1175 51.156,1176 8.107,1177 111.558,1178 36.266,1179 5.391,1180 5.555,1181 6.512,1182 5.239,1183 5.224,1184 7.529,1185 2.334,1186 18.785,1187 5.146,1188 12.194,1189 1.468,1190 1.511,1191 1.572,1192 1.467,1193 1.472,1194 1.968,1195 0.312,1196 4.291,1197 1.395,1198 4.101,1199 4.118,1200 4.069,1201 4.034,1202 6.451,1203 4.04,1204 3.895,1205 3.914,1206 3.841,1207 3.826,1208 5.016,1209 3.826,1210 3.532,1211 3.559,1212 3.47,1213 3.346,1214 4.839,1215 3.371,1216 3.275,1217 3.327,1218 3.155,1219 3.119,1220 4.708,1221 3.119,1222 3.249,1223 3.315,1224 3.063,1225 2.969,1226 4.497,1227 2.979,1228 3.214,1229 3.265,1230 3.028,1231 2.932,1232 4.382,1233 2.939,1234 3.091,1235 3.176,1236 2.89,1237 2.862,1238 4.069,1239 2.853,1240 2.849,1241 2.909,1242 2.709,1243 2.72,1244 3.802,1245 2.706,1246 0.177,1247 0.137,1248 0.262,1249 0.162,1250 0.124,1251 4.614,1252 0.174,1253 3.555,1254 0.057,1255 6.821,1256 0.432,1257 4.2,1258 0.121,1259 3.224,1260 4.529,1261 1.474,1262 11.241,1263 3.146,1264 2.054,1265 2.04,1266 2.115,1267 2.137,1268 1.286,1269 2.13,1270 1.88,1271 1.861,1272 1.985,1273 1.974,1274 1.097,1275 1.977,1276 1.446,1277 1.418,1278 1.64,1279 1.68,1280 0.658,1281 1.662,1282 1.233,1283 1.193,1284 1.577,1285 1.526,1286 0.58,1287 1.541,1288 1.197,1289 1.124,1290 1.573,1291 1.513,1292 0.573,1293 1.533,1294 1.169,1295 1.096,1296 1.43,1297 1.415,1298 0.557,1299 1.418,1300 1.09,1301 1.002,1302 1.394,1303 1.324,1304 0.461,1305 1.355,1306 0.858,1307 0.8,1308 1.12,1309 1.031,1310 0.187,1311 1.061,1312 3.97,1314 5.283,1316 6.828,1318 8.476,1320 10.176,1322 4.752,1327 10.877,1330 16.057,1332 -0.914,1340 27.622,1341 63.908,1342 140.194,1343 169.639,1344 192.045,1345 200.8,1346 211.065,1347 40.289,1348 7.105,1349 60.81,1350 60.81,1351 18,1352 12.496,1353 4.17,1354 3.248,1355 38.968,1356 74,1357 74,1358 0.263,1359 170.205,1360 292.52,1361 407.06,1362 10464,1364 17.104,1365 0.713,1366 0.576,1367 17.104,1368 13.815,1369 11.689,1370 0.45,1371 0.289,1372 7.35,1373 11.099,1374 7.087,1375 5.937,1376 11.689,1377 7.509,1378 9.803,1379 0.272,1380 0.146,1381 9.803,1382 5.269,1383 9.007,1384 0.177,1385 0.078,1386 9.007,1387 3.992,1388 7.582,1389 0.113,1390 0.041,1391 7.582,1392 2.779,1393 6.205,1394 0.072,1395 0.022,1396 6.205,1397 1.904,1398 0.396,1399 74.514,1400 0.242,1401 22.808,1402 0.772,1403 124,1404 401.001,1405 136.46,1406 374.301,1407 511.13,1408 354,1409 149,1410 366.374,1411 162.46,1412 374.567,1413 548.04,1414 348,1415 5.159}
{0 CHEMBL208599,1 1.378,2 8,3 4.501,4 20.255,5 88.439,6 7.471,7 0.458,8 3.783,9 3.905,10 3.37,11 3.436,12 4.757,13 3.376,14 4.364,15 4.532,16 3.804,17 3.906,18 5.258,19 3.818,20 4.699,21 4.907,22 3.924,23 4.103,24 5.569,25 3.984,26 4.765,27 5.004,28 3.849,29 4.053,30 5.645,31 3.915,32 4.729,33 4.993,34 3.625,35 3.954,36 5.541,37 3.788,38 4.631,39 4.921,40 3.504,41 3.807,42 5.375,43 3.603,44 4.375,45 4.654,46 3.171,47 3.54,48 5.169,49 3.32,50 4.016,51 4.307,52 2.936,53 3.165,54 4.834,55 2.935,56 0.039,57 0.55,58 8.397,59 3.787,60 6.625,61 5.27,62 0.062,63 0.95,64 16.426,65 7.235,66 10.848,67 10.083,68 0.144,69 1.3,70 25.997,71 10.016,72 20.752,73 13.988,74 0.236,75 1.391,76 28.113,77 10.358,78 30.662,79 14.701,80 0.221,81 1.334,82 26.949,83 9.681,84 29.394,85 13.837,86 0.176,87 1.109,88 26.549,89 10.081,90 25.266,91 14.253,92 0.17,93 0.837,94 23.851,95 7.706,96 25.006,97 10.616,98 0.133,99 0.566,100 17.241,101 5.306,102 18.177,103 7.272,104 11,105 36,106 0.245,107 0.636,108 0.808,109 0.88,110 0.88,111 0.88,112 3.106,113 1.013,114 -5.11,115 -5,116 -4.68,121 45,122 1,123 4,124 2,137 1,138 1,144 3,145 2,146 2,148 2,165 1,166 1,167 1,176 12,180 4,185 2,187 20,189 2,192 3,197 2,200 15,203 2,206 5,208 1,209 1,211 5,214 15,216 5,219 1,224 2,227 11,229 2,232 1,237 3,239 12,241 3,244 1,249 1,251 8,253 1,264 7,277 3,281 445,282 14.282,283 14.282,284 14.282,285 14.282,286 14.282,287 12.709,288 14.693,289 8.094,290 14.483,291 11.81,292 11.81,293 11.81,294 11.81,295 11.81,296 9.314,297 13.257,298 3.816,299 12.201,300 3.944,301 1.74,302 0.775,303 0.369,304 0.369,305 0.369,306 3.805,308 1,311 1,312 1,313 373,314 2.345,318 132.296,320 44.058,322 107.771,324 64.707,325 1.238,326 14.197,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 43.333,338 168,339 4.673,340 3.496,341 6.94,342 4.288,343 3.303,344 4.585,345 0.68,346 11.688,347 3.254,348 4.151,349 3.075,350 6.235,351 3.833,352 2.846,353 3.622,355 9.304,356 2.808,357 3.839,358 2.877,359 5.596,360 3.438,361 2.464,362 3.164,364 7.576,365 2.402,366 3.553,367 2.564,368 5.391,369 3.205,370 2.23,371 2.92,373 6.845,374 2.176,375 3.399,376 2.456,377 5.096,378 3.003,379 2.085,380 2.717,382 6.046,383 1.86,384 3.04,385 2.1,386 4.894,387 2.862,388 1.885,389 2.073,391 5.55,392 1.833,393 2.886,394 1.817,395 4.774,396 2.624,397 1.657,398 1.929,400 4.952,401 1.563,402 2.491,403 1.208,404 3.954,405 2.074,406 1.096,407 1.485,409 2.875,410 1.058,411 1.584,412 0.662,413 3.307,414 1.436,415 0.436,416 0.461,418 0.641,419 0.436,420 1.399,421 0.533,422 3,423 1.16,424 0.182,425 0.21,427 0.534,428 0.173,429 1.338,430 0.281,431 2.818,432 0.95,438 1.016,439 0.116,440 2.643,441 0.642,442 -0.248,443 -0.302,445 -0.617,446 -0.18,447 0.682,448 -0.453,449 2.444,450 0.363,451 -0.585,452 -0.653,454 -1.571,455 -0.531,456 0.354,457 -0.56,458 2.34,459 0.177,460 -0.799,461 -0.914,463 -2.162,464 -0.774,465 0.325,466 -0.692,467 2,468 0.054,469 -0.938,470 -1.089,472 -2.788,473 -0.919,474 10.514,475 0.501,476 0.606,477 0.029,478 24.5,479 1.167,480 11.5,481 0.548,482 13,483 0.619,484 20.295,485 0.966,486 21.886,487 0.547,488 14.29,489 0.68,490 4.061,491 0.193,492 6.091,493 0.29,494 0.154,496 0.428,501 0.759,502 1,503 0.66,504 0.837,505 0.92,506 0.853,507 0.569,508 1.097,509 0.651,510 0.92,511 0.491,512 0.909,513 0.879,514 1.148,515 0.88,516 1.029,517 0.817,518 1.013,519 0.775,520 1.165,521 0.804,522 1.045,523 0.836,524 1.043,525 1.111,526 0.968,527 0.823,528 0.915,529 1.26,530 1.009,531 0.446,532 0.941,533 0.677,534 0.916,535 0.523,536 0.922,537 1.3,538 0.919,539 1.295,540 1.065,541 1.313,542 1.057,543 1.511,544 0.767,545 1.298,546 0.908,547 1.449,548 0.944,549 5,550 0.029,551 2,552 2.188,553 1.662,554 0.91,555 0.402,556 0.267,557 0.09,558 0.061,559 4022,560 9010,561 2.155,562 47.5,563 11,564 4,567 2,568 2,572 1.637,573 2,574 2.97,575 0.237,582 55.108,583 1.378,584 3.582,585 4.546,586 4.953,587 4.953,588 4.953,589 2.489,590 4.202,591 4.363,592 3.04,593 638.448,594 7.501,595 6315.56,597 1,600 212.877,601 1.449,602 4.318,603 0.208,604 0.014,605 0.056,606 0.056,607 0.049,608 0.035,609 0.019,610 0.019,611 0.01,612 0.015,613 0.482,614 0.83,615 1,616 0.819,617 91.661,618 -0.062,619 0.12,620 0.021,621 0.097,622 -0.095,623 0.086,624 0.06,625 -0.057,626 0.079,627 0.036,628 0.135,629 0.057,630 -0.028,631 -0.127,632 -0.039,633 -0.077,634 -0.001,635 -0.054,636 0.123,637 -0.139,638 -0.012,639 -0.119,640 0.116,641 -0.098,642 -0.171,643 0.071,644 -0.068,645 -0.007,646 -0.186,647 -0.075,648 0.217,649 -0.038,650 0.171,651 0.066,652 0.215,653 0.082,654 -0.137,655 -0.003,656 -0.117,657 -0.058,658 -0.178,659 -0.064,660 -0.143,661 0.148,662 0.009,663 0.111,664 -0.162,665 0.05,666 0.946,667 2.51,668 0.81,669 12.98,670 0.987,671 1.117,672 3.876,673 15.025,674 0.693,675 3.219,676 3.611,677 3.951,678 4.317,679 4.644,680 4.844,681 5.011,682 5.209,683 5.283,684 5.338,685 4.565,686 0.64,687 298.84,688 3.219,689 4.796,690 5.687,691 6.611,692 7.519,693 8.45,694 9.365,695 10.299,696 11.216,697 12.152,698 5,702 1,708 1,714 2,715 3,716 1,720 4,722 11,733 1,740 1,741 40,743 12,744 1,745 24,747 43,748 18,749 9,750 3,751 3,756 4,757 10,758 1,763 1,767 3,768 2,770 4,772 11,773 7,774 2,777 1,784 1,786 1,790 1,793 19,794 2,795 2,796 3,797 1,802 2,808 0.25,822 1,829 4,831 1,833 2,835 1,849 1,850 1,859 1,864 1,865 1,868 21,869 1,876 4,880 2,892 1,901 10.5,902 7.426,903 4.472,904 2.733,907 2.751,908 1.364,909 1.033,910 3.055,911 10.313,912 3.45,913 4.119,914 4.754,915 5.396,916 6.026,917 6.457,918 6.877,919 7.345,920 7.71,921 7.886,922 0.833,923 39,924 7.796,926 3.441,927 0.026,929 7.474,931 15.526,933 13.889,936 1.974,937 41.444,938 0.001,940 1,941 200.109,942 76.971,943 49.683,944 39.149,948 76.971,949 239.257,950 49.683,951 8.825,952 10.138,953 70.802,954 16.786,955 20.102,957 200.109,958 39.149,959 200.109,960 126.653,962 39.149,964 200.109,968 23.864,969 76.527,970 65.41,972 200.109,973 49.683,974 116.119,977 200.109,978 30.24,979 46.73,981 88.831,982 200.109,983 49.683,984 116.119,986 0.596,987 0.359,988 0.206,989 0.121,990 21,991 9,992 0.023,993 1,994 4,995 1.412,996 3.238,997 180.343,998 0.471,999 16,1000 92.239,1005 13.298,1006 4.825,1007 2.09,1008 1.975,1009 49.683,1010 5.829,1011 4.877,1015 4.14,1017 32.897,1018 365.911,1019 30.5,1026 2.472,1028 1.581,1031 39.48,1032 44.677,1034 0.259,1035 0.673,1036 0.854,1037 0.931,1038 0.931,1039 0.931,1040 4.734,1041 1.096,1042 5.707,1043 4.952,1044 4.29,1045 4.804,1046 0.655,1047 6.589,1048 4.234,1049 5.969,1050 0.436,1051 7.306,1052 2.875,1053 4.007,1054 4.783,1056 7.573,1057 3.904,1058 7.31,1059 0.182,1060 8.999,1061 0.641,1062 5.953,1063 7.082,1064 0.356,1065 10.726,1066 5.866,1067 8.681,1069 10.746,1070 0.534,1071 6.431,1072 7.854,1074 12.519,1075 6.314,1076 10.083,1077 -0.248,1078 12.528,1080 7.892,1081 9.678,1082 0.18,1083 15.216,1084 7.782,1085 11.506,1086 -0.585,1087 14.337,1088 -0.617,1089 8.74,1090 10.837,1092 17.379,1093 8.61,1094 12.947,1095 -0.799,1096 16.165,1097 -1.571,1098 10.014,1099 12.474,1100 0.087,1101 19.914,1102 9.882,1103 3.303,1104 -0.938,1105 18.01,1106 -2.162,1107 11.04,1108 13.824,1110 22.243,1111 10.893,1112 2.846,1113 11.688,1114 19.869,1115 -2.788,1116 12.245,1117 15.386,1118 0.041,1119 24.721,1120 12.09,1121 2.464,1122 9.304,1123 21.74,1124 4.585,1125 13.356,1126 16.827,1128 27.121,1129 13.186,1130 2.23,1131 7.576,1132 23.621,1133 3.622,1134 14.539,1135 18.361,1136 0.019,1137 29.581,1138 14.359,1139 2.085,1140 6.845,1141 25.51,1142 3.164,1143 15.689,1144 19.844,1146 32.011,1147 15.493,1148 1.885,1149 6.046,1150 27.405,1151 2.92,1152 16.868,1153 21.368,1154 0.009,1155 34.467,1156 16.66,1157 1.657,1158 5.55,1159 29.307,1160 2.717,1161 18.037,1162 22.872,1164 36.911,1165 17.814,1166 3837,1167 5868,1168 16.126,1169 27.722,1170 36.748,1171 37.222,1172 38.372,1173 36.595,1174 36.368,1175 46.333,1176 1.36,1177 112.025,1178 35.126,1179 5.628,1180 5.496,1181 6.473,1182 5.331,1183 5.303,1184 7.585,1185 1.36,1186 19.265,1187 5.254,1188 9.56,1189 1.531,1190 1.551,1191 1.599,1192 1.525,1193 1.515,1194 1.931,1195 0.057,1196 4.668,1197 1.464,1198 4.136,1199 4.164,1200 4.135,1201 4.071,1202 5.158,1203 4.073,1204 3.881,1205 3.914,1206 3.87,1207 3.821,1208 4.898,1209 3.81,1210 3.535,1211 3.591,1212 3.595,1213 3.442,1214 4.612,1215 3.429,1216 3.314,1217 3.377,1218 3.276,1219 3.19,1220 4.411,1221 3.175,1222 3.214,1223 3.291,1224 3.074,1225 3.06,1226 4.081,1227 3.047,1228 2.989,1229 3.074,1230 2.963,1231 2.837,1232 3.925,1233 2.829,1234 2.907,1235 2.993,1236 2.815,1237 2.76,1238 3.628,1239 2.738,1240 2.743,1241 2.843,1242 2.666,1243 2.58,1244 3.528,1245 2.556,1246 0.195,1247 0.146,1248 0.289,1249 0.179,1250 0.138,1251 4.673,1252 0.191,1253 3.496,1254 0.028,1255 6.94,1256 0.487,1257 4.288,1258 0.136,1259 3.303,1260 4.585,1261 0.68,1262 11.688,1263 3.254,1264 2.096,1265 2.072,1266 2.188,1267 2.18,1268 1.539,1269 2.184,1270 1.888,1271 1.857,1272 2.005,1273 1.975,1274 1.184,1275 1.993,1276 1.548,1277 1.496,1278 1.805,1279 1.703,1280 1.036,1281 1.742,1282 1.3,1283 1.249,1284 1.52,1285 1.479,1286 0.85,1287 1.487,1288 1.226,1289 1.153,1290 1.464,1291 1.423,1292 0.609,1293 1.459,1294 0.968,1295 0.904,1296 1.279,1297 1.209,1298 0.502,1299 1.22,1300 0.936,1301 0.857,1302 1.213,1303 1.152,1304 0.26,1305 1.2,1306 0.753,1307 0.671,1308 1.104,1309 0.999,1310 0.195,1311 1.041,1312 3.892,1314 5.263,1316 6.849,1318 8.543,1320 10.293,1322 2.248,1323 6.098,1326 6.51,1328 4.535,1332 1.181,1340 25.612,1341 55.108,1342 143.262,1343 181.858,1344 198.122,1345 198.122,1346 198.122,1347 27.799,1348 7.563,1349 38.91,1350 38.91,1351 24,1352 12.654,1353 3.7,1354 2.907,1355 27.865,1356 59,1357 61,1358 0.251,1359 158.216,1360 270.09,1361 377.807,1362 17752,1363 2.5,1364 14.56,1365 0.693,1366 0.617,1367 15.06,1368 12.951,1369 10.152,1370 0.423,1371 0.338,1372 7.73,1373 9.749,1374 7.475,1375 6.148,1376 10.441,1377 8.102,1378 9.618,1379 0.267,1380 0.188,1381 10.026,1382 6.763,1383 8.432,1384 0.165,1385 0.102,1386 8.695,1387 5.227,1388 7.698,1389 0.104,1390 0.057,1391 7.933,1392 4.216,1393 6.543,1394 0.064,1395 0.032,1396 6.775,1397 3.299,1398 0.373,1399 64.786,1400 0.249,1401 20.058,1402 0.757,1403 120,1404 249.161,1405 138.6,1406 283.83,1407 393.89,1408 266,1409 147,1410 280.525,1411 160.256,1412 299.1,1413 444.34,1414 284,1415 9.174}
{0 CHEMBL2088687,1 1.388,2 12.516,3 3.79,4 14.366,5 126.098,6 7.428,7 0.529,8 4.089,9 4.219,10 3.656,11 3.688,12 5.245,13 3.656,14 4.606,15 4.783,16 3.982,17 4.085,18 5.613,19 4.022,20 4.923,21 5.147,22 4.096,23 4.261,24 5.891,25 4.171,26 5.014,27 5.267,28 4.115,29 4.272,30 6.073,31 4.169,32 4.975,33 5.213,34 4.138,35 4.267,36 6.099,37 4.185,38 4.979,39 5.209,40 4.07,41 4.246,42 6.2,43 4.148,44 4.969,45 5.234,46 3.813,47 4.129,48 6,49 3.989,50 4.806,51 5.09,52 3.583,53 3.94,54 5.747,55 3.785,56 0.049,57 0.827,58 10.744,59 4.595,60 16.08,61 6.235,62 0.163,63 1.338,64 19.622,65 7.964,66 16.99,67 11.024,68 0.196,69 1.75,70 29.12,71 10.959,72 31.29,73 15.649,74 0.37,75 1.883,76 33.48,77 12.421,78 58.816,79 17.91,80 0.234,81 1.84,82 31.434,83 11.165,84 58.744,85 16.154,86 0.357,87 1.885,88 31.144,89 10.787,90 92.09,91 15.467,92 0.291,93 1.757,94 32.588,95 11.079,96 79.174,97 16.215,98 0.314,99 1.458,100 28.512,101 9.791,102 62.143,103 14.359,104 14,105 46,106 0.226,107 0.576,108 0.696,109 0.77,110 0.81,111 0.822,112 3.472,113 0.919,114 -4.99,115 -4.89,116 -4.58,121 45.5,123 2,127 3,129 1,144 10,145 5,149 2,160 2,165 1,166 1,167 1,176 15,180 7,182 1,183 2,185 4,187 18,189 1,192 5,197 2,200 12,203 1,205 2,206 9,208 1,209 3,210 1,211 4,213 1,214 9,216 2,219 7,224 4,227 8,229 2,231 2,232 9,234 1,235 2,237 7,239 8,241 4,244 4,249 4,251 6,253 1,255 1,256 5,258 1,259 1,261 2,264 5,269 4,274 1,277 5,281 1692,282 21.516,283 21.516,284 21.516,285 21.516,286 21.516,287 19.088,288 26.104,289 12.908,290 21.778,291 16.697,292 16.697,293 16.697,294 16.697,295 16.697,296 13.003,297 42.219,298 5.983,299 17.149,300 4.394,301 2.241,302 1.504,303 1.046,304 0.8,305 0.727,306 4.171,311 1,312 1,313 838,314 2.915,318 436.409,325 1.886,326 25.82,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 65,338 388,339 4.665,340 4.125,341 6.979,342 4.262,343 3.278,344 4.417,345 2.035,346 11.866,347 3.229,348 3.949,349 4.045,350 5.957,351 3.697,352 2.74,353 3.457,354 2.035,355 8.365,356 2.626,357 3.92,358 3.198,359 5.718,360 3.541,361 2.569,362 3.425,363 0.916,364 7.745,365 2.499,366 3.876,367 3.024,368 5.604,369 3.413,370 2.437,371 3.232,372 0.4,373 7.54,374 2.379,375 3.596,376 2.726,377 5.305,378 3.32,379 2.341,380 2.677,381 0.172,382 6.782,383 2.286,384 3.413,385 2.486,386 4.968,387 2.989,388 2.038,389 2.543,391 5.856,392 1.93,393 3.207,394 2.445,395 4.77,396 2.77,397 1.806,398 2.196,400 4.999,401 1.736,402 3.133,403 2.192,404 3.83,405 2.412,406 1.419,407 1.957,409 3.045,410 1.408,411 3.021,412 1.856,413 3.696,414 2.319,415 1.335,416 1.901,418 2.968,419 1.312,420 2.806,421 1.518,422 3.588,423 2,424 1.033,425 1.5,427 2.385,428 1,429 2.628,430 1.34,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.5,439 1.108,440 3.26,441 1.984,442 1,443 1.492,445 2.136,446 0.983,447 2.5,448 1.077,449 3.247,450 1.97,451 1,452 1.125,454 2.136,455 0.966,456 2,457 1,458 3.247,459 1.567,460 0.61,461 1,463 1.087,464 0.582,465 1.681,466 1,467 2.937,468 1.214,469 0.262,470 0.301,472 0.613,473 0.248,474 14.9,475 0.481,476 0.568,477 0.018,478 44.5,479 1.435,480 25,481 0.806,482 19.5,483 0.629,484 24.276,485 0.783,486 31.3,487 0.569,488 33.829,489 1.091,490 8.535,491 0.275,492 6.655,493 0.215,494 0.081,496 0.295,501 0.945,502 1.147,503 0.811,504 0.95,505 0.561,506 0.881,507 0.884,508 1.025,509 0.933,510 0.999,511 0.4,512 0.977,513 1.014,514 1.115,515 0.961,516 1.027,517 0.521,518 0.995,519 0.699,520 0.903,521 0.844,522 0.923,523 0.563,524 0.904,525 1.113,526 1.107,527 0.901,528 0.944,529 1.019,530 0.907,531 1.243,532 1.118,533 1.178,534 1.124,535 1.265,536 1.14,537 1.308,538 1.103,539 1.192,540 1.106,541 1.617,542 1.131,543 1.131,544 0.857,545 1.105,546 0.961,547 1.275,548 1.018,549 5,550 0.144,551 2.667,552 2.188,553 2.12,554 1.014,555 0.788,556 0.455,557 0.177,558 0.179,559 13246,560 32979,561 2.104,562 43.6,564 17,567 3,570 4,572 1.737,573 2,574 3.537,575 0.812,577 1,582 76.33,583 1.388,584 3.541,585 4.277,586 4.736,587 4.981,588 5.054,589 3.048,590 4.349,591 4.922,592 3.745,593 1741.53,594 8.6,595 24871.7,597 1,600 317.975,601 1.277,602 4.899,603 0.147,604 0.006,605 0.058,606 0.044,607 0.042,608 0.019,609 0.017,610 0.013,611 0.007,612 0.007,613 0.361,614 0.17,615 1,616 0.741,617 161.41,618 -0.077,619 -0.03,620 0.033,621 0.034,622 0.048,623 0.044,624 0.032,625 0.039,626 -0.036,627 -0.017,628 0.042,629 -0.031,630 -0.06,631 -0.111,632 -0.005,633 -0.045,634 0.052,635 -0.024,636 0.295,637 0.069,638 0.151,639 0.06,640 0.24,641 0.084,642 -0.045,643 -0.101,644 0.081,645 0.022,646 0.058,647 0.058,648 -0.025,649 -0.069,650 -0.202,651 -0.187,652 0.048,653 -0.209,654 -0.188,655 -0.125,656 -0.179,657 -0.147,658 -0.254,659 -0.159,660 -0.055,661 0.091,662 -0.073,663 0.011,664 -0.176,665 -0.025,666 1.524,667 3.919,668 0.774,669 33.078,670 0.992,671 1.122,672 3.757,673 14.111,674 0.689,675 3.555,676 3.85,677 4.143,678 4.431,679 4.682,680 4.682,681 4.779,682 4.89,683 4.942,684 4.977,685 7.238,686 0.652,687 408.55,688 3.555,689 5.081,690 5.932,691 6.808,692 7.679,693 8.564,694 9.443,695 10.332,696 11.217,697 12.109,698 10.9,701 1,702 1,703 1,707 2,708 1,715 10,716 1,720 7,722 18,724 2,733 1,734 1,741 55,743 20,744 2,745 34,747 58,748 25,749 17,750 2,751 10,756 4,757 4,767 3,770 3,771 2,772 17,773 6,790 1,793 24,794 6,795 3,796 6,802 6,808 1,822 1,829 4,855 1,859 4,868 31,869 1,876 5,877 1,880 1,881 1,885 2,889 2,891 2,901 15.5,902 9.8,903 7.056,904 3.347,907 3.032,908 1.394,909 0.995,910 6.365,911 10.72,912 3.871,913 4.388,914 4.985,915 5.583,916 6.136,917 6.355,918 6.642,919 6.95,920 7.163,921 7.265,922 1,923 50,924 11.426,926 4.844,927 0.026,929 7.726,931 21.94,933 18.118,936 2.226,937 69,940 1,941 247.193,942 159.936,943 132.936,948 159.936,949 247.193,950 132.936,952 11.386,953 127.66,954 68,955 81.171,956 4.656,957 247.193,959 247.193,960 292.872,964 200.109,965 47.084,968 76.629,969 181.447,970 34.796,972 247.193,973 132.936,974 159.936,977 247.193,978 31.97,979 97.887,980 51.214,981 111.801,982 247.193,983 132.936,984 159.936,986 0.565,987 0.343,988 0.201,989 0.115,990 21,991 9,992 0.086,993 5,995 1,996 4.214,997 280.082,999 24,1000 141.58,1005 20.729,1006 9.519,1007 4.635,1009 132.936,1010 19.881,1011 4.39,1015 3.848,1017 50.908,1018 540.065,1019 47,1031 54.563,1032 61.727,1034 0.24,1035 0.612,1036 0.74,1037 0.819,1038 0.862,1039 0.874,1040 5.109,1041 1.419,1042 5.894,1043 4.999,1044 4.533,1045 5.075,1046 2.964,1047 6.701,1048 4.479,1049 6.304,1050 1.335,1051 7.442,1052 3.045,1053 4.007,1054 4.677,1055 0.325,1056 7.612,1057 3.922,1058 7.595,1059 1.033,1060 9.095,1061 2.968,1062 6.107,1063 7.215,1064 4.257,1065 10.753,1066 6.004,1067 8.919,1068 1,1069 10.814,1070 2.385,1071 6.447,1072 7.715,1073 0.393,1074 12.561,1075 6.321,1076 10.277,1077 1,1078 12.577,1079 2.275,1080 7.975,1081 9.672,1082 5.654,1083 15.234,1084 7.833,1085 11.661,1086 1,1087 14.373,1088 2.136,1089 8.735,1090 10.632,1091 0.384,1092 17.43,1093 8.577,1094 13.068,1095 0.61,1096 16.193,1097 2.136,1098 10.03,1099 12.328,1100 7.07,1101 19.961,1102 9.857,1103 3.278,1104 0.262,1105 18.032,1106 1.087,1107 11.002,1108 13.537,1109 0.351,1110 22.322,1111 10.818,1112 2.74,1113 11.866,1114 19.887,1115 0.613,1116 12.206,1117 15.111,1118 8.49,1119 24.811,1120 12.009,1121 2.569,1122 8.365,1123 21.756,1124 4.417,1125 13.283,1126 16.453,1127 0.312,1128 27.24,1129 13.076,1130 2.437,1131 7.745,1132 23.637,1133 3.457,1134 14.459,1135 17.973,1136 9.911,1137 29.717,1138 14.239,1139 2.341,1140 7.54,1141 25.527,1142 3.425,1143 15.588,1144 19.384,1145 0.273,1146 32.172,1147 15.358,1148 2.038,1149 6.782,1150 27.426,1151 3.232,1152 16.758,1153 20.881,1154 11.331,1155 34.646,1156 16.516,1157 1.806,1158 5.856,1159 29.332,1160 2.677,1161 17.912,1162 22.328,1163 0.236,1164 37.113,1165 17.659,1166 12576,1167 20013,1168 23.057,1169 37.887,1170 52.321,1171 55.297,1172 51.868,1173 49.799,1174 49.735,1175 65.445,1176 11.116,1177 139.595,1178 48.366,1179 5.665,1180 6.125,1181 6.781,1182 5.311,1183 5.278,1184 7.417,1185 4.069,1186 19.384,1187 5.229,1188 12.536,1189 1.539,1190 1.626,1191 1.526,1192 1.465,1193 1.463,1194 1.925,1195 0.327,1196 4.106,1197 1.423,1198 4.043,1199 4.077,1200 4.011,1201 3.969,1202 6.825,1203 3.974,1204 3.934,1205 3.974,1206 3.856,1207 3.86,1208 6.815,1209 3.854,1210 3.813,1211 3.861,1212 3.726,1213 3.701,1214 5.138,1215 3.703,1216 3.734,1217 3.779,1218 3.649,1219 3.625,1220 4.769,1221 3.625,1222 3.338,1223 3.405,1224 3.306,1225 3.165,1226 4.745,1227 3.194,1228 3.238,1229 3.307,1230 3.142,1231 3.064,1232 4.523,1233 3.068,1234 3.111,1235 3.206,1236 3.005,1237 2.941,1238 4.278,1239 2.91,1240 3.074,1241 3.159,1242 2.866,1243 2.84,1244 3.895,1245 2.869,1246 0.137,1247 0.121,1248 0.205,1249 0.125,1250 0.096,1251 4.665,1252 0.13,1253 4.125,1254 0.06,1255 6.979,1256 0.349,1257 4.262,1258 0.095,1259 3.278,1260 4.417,1261 2.035,1262 11.866,1263 3.229,1264 1.988,1265 1.966,1266 2.084,1267 2.089,1268 1.414,1269 2.088,1270 1.926,1271 1.891,1272 2.053,1273 2.035,1274 1.168,1275 2.043,1276 1.808,1277 1.757,1278 1.986,1279 1.939,1280 1.134,1281 1.958,1282 1.713,1283 1.674,1284 1.802,1285 1.844,1286 0.859,1287 1.841,1288 1.272,1289 1.211,1290 1.513,1291 1.503,1292 0.825,1293 1.502,1294 1.188,1295 1.133,1296 1.5,1297 1.392,1298 0.723,1299 1.429,1300 1.153,1301 1.064,1302 1.308,1303 1.376,1304 0.432,1305 1.376,1306 0.982,1307 0.909,1308 1.211,1309 1.259,1310 0.218,1311 1.238,1312 4.234,1314 5.533,1316 7.047,1318 8.658,1320 10.323,1326 6.115,1328 4.759,1329 3.437,1332 0.197,1333 2.439,1338 19.556,1339 4.377,1340 35.87,1341 76.33,1342 194.728,1343 235.246,1344 260.465,1345 273.975,1346 277.975,1347 56.749,1348 7.688,1349 101.76,1350 101.76,1351 24,1352 12.638,1353 4.392,1354 3.807,1355 49.49,1356 132,1357 152,1358 0.179,1359 223.715,1360 390.6,1361 537.625,1362 23572,1364 21.631,1365 0.698,1366 0.557,1367 21.631,1368 17.253,1369 15.19,1370 0.447,1371 0.306,1372 10.323,1373 14.84,1374 10.098,1375 8.382,1376 15.19,1377 10.412,1378 12.955,1379 0.282,1380 0.168,1381 12.955,1382 7.741,1383 11.131,1384 0.18,1385 0.092,1386 11.131,1387 5.689,1388 9.633,1389 0.116,1390 0.049,1391 9.633,1392 4.094,1393 8.037,1394 0.075,1395 0.028,1396 8.037,1397 2.984,1398 0.283,1399 93.566,1400 0.208,1401 29.243,1402 0.487,1403 160,1404 406.226,1405 168.715,1406 416.422,1407 571.73,1408 388,1409 188,1410 420.563,1411 197.326,1412 436.036,1413 630.45,1414 410,1415 5.056}
{0 CHEMBL2088780,1 1.365,2 14.212,3 4.757,4 22.629,5 135.592,6 7.158,7 0.5,8 4.181,9 4.314,10 3.715,11 3.772,12 5.299,13 3.732,14 4.713,15 4.899,16 4.029,17 4.174,18 5.676,19 4.099,20 5.035,21 5.268,22 4.139,23 4.356,24 5.949,25 4.249,26 5.133,27 5.394,28 4.147,29 4.364,30 6.13,31 4.241,32 5.112,33 5.375,34 4.139,35 4.33,36 6.16,37 4.224,38 5.068,39 5.322,40 4.039,41 4.274,42 6.215,43 4.155,44 5.014,45 5.29,46 3.8,47 4.169,48 5.961,49 4.015,50 4.867,51 5.144,52 3.662,53 4.048,54 5.739,55 3.889,56 0.059,57 0.907,58 12.596,59 5.296,60 16.578,61 7.364,62 0.188,63 1.47,64 22.985,65 9.232,66 18.762,67 13.034,68 0.208,69 1.911,70 33.52,71 12.867,72 32.325,73 18.655,74 0.362,75 2.064,76 38.317,77 14.373,78 60.969,79 20.994,80 0.298,81 2.038,82 37.696,83 12.932,84 64.243,85 19.277,86 0.417,87 1.984,88 35.867,89 12.015,90 97.79,91 17.795,92 0.311,93 1.785,94 34.72,95 11.884,96 70.814,97 17.707,98 0.267,99 1.525,100 29.877,101 10.84,102 50.273,103 15.96,104 14,105 48,106 0.218,107 0.556,108 0.683,109 0.771,110 0.821,111 0.831,112 3.531,113 0.949,114 -5.39,115 -5.27,116 -4.93,121 44.3,123 3,124 1,127 4,144 10,145 5,149 2,160 2,165 1,166 1,167 1,176 18,180 7,182 1,183 2,185 3,187 20,189 1,192 6,197 3,200 12,203 1,205 2,206 9,208 1,209 2,210 1,211 6,213 1,214 8,216 2,219 8,224 4,227 9,229 2,231 1,232 9,234 1,235 3,237 5,239 12,241 3,244 4,249 3,251 12,253 2,255 1,256 4,261 3,264 11,266 2,269 2,274 2,277 8,281 2017,282 22.93,283 22.93,284 22.93,285 22.93,286 22.93,287 20.502,288 24.523,289 13.84,290 23.199,291 17.68,292 17.68,293 17.68,294 17.68,295 17.68,296 13.976,297 32.219,298 6.409,299 18.128,300 4.566,301 2.448,302 1.648,303 1.099,304 0.787,305 0.721,306 4.23,312 1,313 1012,314 3.24,318 487.43,325 2.084,326 25.839,329 0.75,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.86,337 69,338 469,339 4.664,340 4.125,341 6.977,342 4.259,343 3.274,344 4.416,345 2.035,346 11.858,347 3.227,348 3.941,349 4.045,350 5.924,351 3.69,352 2.727,353 3.457,354 2.035,355 8.129,356 2.634,357 3.91,358 3.187,359 5.702,360 3.494,361 2.516,362 3.422,363 0.916,364 7.788,365 2.475,366 3.875,367 3.018,368 5.616,369 3.449,370 2.461,371 3.224,372 0.4,373 7.527,374 2.419,375 3.605,376 2.605,377 5.33,378 3.388,379 2.415,380 2.643,381 0.172,382 6.947,383 2.347,384 3.432,385 2.54,386 4.955,387 3.037,388 2.084,389 2.601,391 5.867,392 1.977,393 3.196,394 2.467,395 4.827,396 2.833,397 1.868,398 2.244,400 5.129,401 1.797,402 3.141,403 2.236,404 3.938,405 2.428,406 1.436,407 1.959,409 3.113,410 1.424,411 3.128,412 1.931,413 3.696,414 2.354,415 1.372,416 1.928,418 3.024,419 1.345,420 2.826,421 1.54,422 3.595,423 2.225,424 1.272,425 1.629,427 2.896,428 1.208,429 2.638,430 1.477,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.5,439 1.322,440 3.333,441 2,442 1,443 1.5,445 2.136,446 1,447 2.5,448 1.077,449 3.258,450 1.984,451 1,452 1.129,454 2.136,455 0.983,456 2.248,457 1,458 3.247,459 1.833,460 0.882,461 1.095,463 1.899,464 0.836,465 2,466 1,467 3.247,468 1.567,469 0.61,470 1,472 1.087,473 0.582,474 15.9,475 0.482,476 0.568,477 0.017,478 45.5,479 1.379,480 25,481 0.758,482 20.5,483 0.621,484 27.818,485 0.843,486 33.9,487 0.556,488 34.306,489 1.04,490 8.575,491 0.26,492 7.615,493 0.231,494 0.075,496 0.277,501 0.94,502 1.171,503 0.847,504 0.99,505 0.553,506 0.924,507 0.892,508 1.017,509 0.968,510 1.017,511 0.397,512 1.003,513 0.89,514 1.106,515 0.944,516 1.045,517 0.487,518 1.008,519 0.657,520 0.984,521 0.859,522 0.986,523 0.532,524 0.951,525 1.151,526 1.066,527 0.909,528 0.918,529 0.952,530 0.894,531 1.278,532 1.025,533 1.135,534 1.033,535 1.235,536 1.063,537 1.275,538 0.979,539 1.13,540 1.007,541 1.406,542 1.045,543 1.013,544 0.902,545 1.066,546 0.996,547 1.098,548 1.029,549 5,550 0.111,551 2.889,552 2.188,553 2.04,554 1.014,555 0.606,556 0.387,557 0.287,558 0.179,559 16940,560 40389,561 2.097,562 45.9,563 1,564 18,567 3,569 6,572 1.749,573 2,574 3.711,575 0.772,582 83.277,583 1.365,584 3.483,585 4.283,586 4.832,587 5.144,588 5.209,589 3.193,590 4.56,591 5.014,592 3.941,593 2081.01,594 8.762,595 32403.1,597 1,600 361.775,601 1.241,602 4.992,603 0.139,604 0.004,605 0.06,606 0.042,607 0.04,608 0.02,609 0.014,610 0.011,611 0.01,612 0.006,613 0.346,614 0.17,615 1,616 0.712,617 177.928,618 -0.06,619 -0.031,620 0.035,621 0.029,622 0.067,623 0.04,624 0.024,625 0.058,626 -0.045,627 -0.012,628 0.049,629 -0.031,630 -0.011,631 -0.112,632 0.016,633 -0.043,634 0.078,635 -0.017,636 0.278,637 -0.023,638 0.13,639 0.004,640 0.253,641 0.043,642 -0.034,643 -0.073,644 0.094,645 0.044,646 0.096,647 0.075,648 -0.013,649 0.008,650 -0.132,651 -0.094,652 0.086,653 -0.12,654 -0.181,655 -0.009,656 -0.122,657 -0.045,658 -0.198,659 -0.072,660 -0.064,661 0.044,662 -0.069,663 -0.011,664 -0.15,665 -0.035,666 1.521,667 3.884,668 0.727,669 38.072,670 0.989,671 1.124,672 4.162,673 17.323,674 0.679,675 3.611,676 3.892,677 4.174,678 4.443,679 4.673,680 4.644,681 4.7,682 4.762,683 4.779,684 4.796,685 8.229,686 0.638,687 436.61,688 3.611,689 5.13,690 5.974,691 6.841,692 7.704,693 8.579,694 9.451,695 10.33,696 11.207,697 12.09,698 9.8,701 1,702 1,703 1,707 2,708 1,715 10,716 1,720 7,722 18,724 2,733 1,734 1,741 61,743 20,744 2,745 36,747 64,748 27,749 17,750 2,751 10,756 4,757 4,767 2,768 1,770 3,771 2,772 17,773 8,774 1,793 28,794 6,795 3,796 6,802 6,808 1,822 1,829 4,855 1,859 4,868 33,869 1,876 7,877 1,880 1,881 1,885 2,889 2,891 2,901 16.5,902 10.8,903 7.556,904 3.806,907 2.983,908 1.384,909 0.988,910 7.456,911 10.742,912 3.912,913 4.413,914 4.999,915 5.583,916 6.125,917 6.324,918 6.59,919 6.86,920 7.054,921 7.117,922 1,923 52,924 12.177,926 5.12,927 0.026,929 7.682,931 23.573,933 19.461,936 2.182,937 72,941 294.278,942 164.576,943 132.936,948 164.576,949 294.278,950 132.936,952 16.026,953 127.66,954 68,955 81.171,956 4.656,957 294.278,959 294.278,960 297.513,964 223.651,965 70.627,968 81.269,969 181.447,970 34.796,972 294.278,973 132.936,974 164.576,977 294.278,978 36.61,979 97.887,980 51.214,981 111.801,982 294.278,983 132.936,984 164.576,986 0.562,987 0.34,988 0.197,989 0.111,990 21,991 9,992 0.109,993 7,995 1,996 4.468,997 295.569,999 24,1000 154.465,1005 22.654,1006 10.862,1007 5.454,1009 132.936,1010 20.026,1011 4.356,1015 3.902,1017 50.908,1018 591.79,1019 49,1031 60.33,1032 68.557,1034 0.23,1035 0.587,1036 0.722,1037 0.815,1038 0.867,1039 0.878,1040 5.145,1041 1.436,1042 5.927,1043 5.129,1044 4.575,1045 5.1,1046 2.964,1047 6.718,1048 4.525,1049 6.329,1050 1.372,1051 7.466,1052 3.113,1053 4.007,1054 4.677,1055 0.325,1056 7.612,1057 3.934,1058 7.614,1059 1.272,1060 9.111,1061 3.024,1062 6.133,1063 7.224,1064 4.257,1065 10.747,1066 6.042,1067 8.933,1068 1,1069 10.823,1070 2.896,1071 6.447,1072 7.715,1073 0.393,1074 12.554,1075 6.338,1076 10.287,1077 1,1078 12.582,1079 2.275,1080 7.987,1081 9.674,1082 5.654,1083 15.221,1084 7.861,1085 11.667,1086 1,1087 14.373,1088 2.136,1089 8.731,1090 10.631,1091 0.384,1092 17.419,1093 8.592,1094 13.071,1095 0.882,1096 16.191,1097 2.136,1098 10.029,1099 12.327,1100 7.07,1101 19.948,1102 9.876,1103 3.274,1104 0.61,1105 18.028,1106 1.899,1107 10.992,1108 13.535,1109 0.351,1110 22.311,1111 10.828,1112 2.727,1113 11.858,1114 19.882,1115 1.087,1116 12.197,1117 15.109,1118 8.49,1119 24.799,1120 12.019,1121 2.516,1122 8.129,1123 21.75,1124 4.416,1125 13.269,1126 16.45,1127 0.312,1128 27.229,1129 13.081,1130 2.461,1131 7.788,1132 23.63,1133 3.457,1134 14.444,1135 17.97,1136 9.911,1137 29.705,1138 14.243,1139 2.415,1140 7.527,1141 25.519,1142 3.422,1143 15.569,1144 19.381,1145 0.273,1146 32.161,1147 15.358,1148 2.084,1149 6.947,1150 27.418,1151 3.224,1152 16.739,1153 20.878,1154 11.331,1155 34.635,1156 16.515,1157 1.868,1158 5.867,1159 29.323,1160 2.643,1161 17.891,1162 22.325,1163 0.236,1164 37.101,1165 17.656,1166 16034,1167 24973,1168 24.444,1169 41.41,1170 54.844,1171 57.881,1172 54.482,1173 52.348,1174 52.29,1175 68.005,1176 11.116,1177 144.673,1178 50.944,1179 5.664,1180 6.125,1181 6.779,1182 5.305,1183 5.274,1184 7.416,1185 4.069,1186 19.366,1187 5.227,1188 13.261,1189 1.523,1190 1.608,1191 1.513,1192 1.454,1193 1.452,1194 1.889,1195 0.309,1196 4.019,1197 1.415,1198 4.039,1199 4.073,1200 4.007,1201 3.968,1202 6.825,1203 3.973,1204 3.946,1205 3.989,1206 3.863,1207 3.865,1208 6.815,1209 3.86,1210 3.828,1211 3.875,1212 3.723,1213 3.727,1214 5.138,1215 3.718,1216 3.762,1217 3.804,1218 3.689,1219 3.665,1220 4.768,1221 3.669,1222 3.481,1223 3.56,1224 3.364,1225 3.29,1226 4.746,1227 3.295,1228 3.298,1229 3.355,1230 3.253,1231 3.139,1232 4.516,1233 3.162,1234 3.168,1235 3.247,1236 3.064,1237 2.992,1238 4.315,1239 2.989,1240 3.111,1241 3.206,1242 2.946,1243 2.941,1244 4.008,1245 2.91,1246 0.13,1247 0.115,1248 0.194,1249 0.118,1250 0.091,1251 4.664,1252 0.123,1253 4.125,1254 0.057,1255 6.977,1256 0.329,1257 4.259,1258 0.09,1259 3.274,1260 4.416,1261 2.035,1262 11.858,1263 3.227,1264 1.986,1265 1.964,1266 2.102,1267 2.081,1268 1.481,1269 2.088,1270 1.933,1271 1.896,1272 2.057,1273 2.053,1274 1.177,1275 2.056,1276 1.839,1277 1.79,1278 2.013,1279 1.953,1280 1.156,1281 1.976,1282 1.738,1283 1.703,1284 1.833,1285 1.869,1286 1.004,1287 1.867,1288 1.455,1289 1.379,1290 1.699,1291 1.677,1292 0.843,1293 1.69,1294 1.227,1295 1.178,1296 1.513,1297 1.436,1298 0.825,1299 1.435,1300 1.153,1301 1.077,1302 1.454,1303 1.376,1304 0.676,1305 1.429,1306 1.145,1307 1.064,1308 1.295,1309 1.361,1310 0.411,1311 1.359,1312 4.29,1314 5.58,1316 7.081,1318 8.681,1320 10.335,1326 6.098,1328 7.257,1329 3.328,1332 0.638,1333 2.516,1338 19.512,1339 4.366,1340 38.923,1341 83.277,1342 212.468,1343 261.271,1344 294.755,1345 313.775,1346 317.775,1347 62.584,1348 7.759,1349 101.76,1350 101.76,1351 24,1352 12.625,1353 4.392,1354 3.807,1355 54.675,1356 163,1357 176,1358 0.16,1359 242.9,1360 425.2,1361 584.435,1362 27836,1364 23.045,1365 0.698,1366 0.566,1367 23.045,1368 18.667,1369 16.19,1370 0.45,1371 0.316,1372 11.293,1373 15.834,1374 11.044,1375 9.18,1376 16.19,1377 11.385,1378 13.65,1379 0.284,1380 0.177,1381 13.65,1382 8.481,1383 11.682,1384 0.183,1385 0.099,1386 11.682,1387 6.312,1388 9.987,1389 0.119,1390 0.054,1391 9.987,1392 4.517,1393 8.214,1394 0.077,1395 0.031,1396 8.214,1397 3.264,1398 0.258,1399 99.612,1400 0.202,1401 31.232,1402 0.418,1403 168,1404 414.226,1405 176.382,1406 424.615,1407 582.33,1408 396,1409 196,1410 426.282,1411 204.993,1412 442.382,1413 638.52,1414 416,1415 6.409}
{0 CHEMBL2088781,1 1.354,2 15.059,3 5.213,4 27.177,5 140.193,6 7.041,7 0.486,8 4.224,9 4.359,10 3.743,11 3.812,12 5.325,13 3.768,14 4.763,15 4.952,16 4.052,17 4.214,18 5.707,19 4.133,20 5.087,21 5.326,22 4.16,23 4.395,24 5.98,25 4.282,26 5.181,27 5.446,28 4.166,29 4.405,30 6.154,31 4.276,32 5.159,33 5.422,34 4.161,35 4.379,36 6.18,37 4.263,38 5.136,39 5.398,40 4.049,41 4.317,42 6.245,43 4.187,44 5.079,45 5.369,46 3.787,47 4.192,48 5.993,49 4.025,50 4.892,51 5.177,52 3.63,53 4.056,54 5.722,55 3.887,56 0.064,57 0.947,58 13.506,59 5.647,60 16.965,61 7.921,62 0.197,63 1.536,64 24.603,65 9.856,66 19.716,67 14.017,68 0.222,69 1.995,70 35.755,71 13.682,72 33.787,73 19.971,74 0.382,75 2.143,76 40.419,77 15.152,78 63.274,79 22.218,80 0.287,81 2.112,82 39.497,83 13.934,84 63.911,85 20.799,86 0.415,87 2.088,88 38.816,89 12.906,90 100.495,91 19.357,92 0.369,93 1.869,94 37.592,95 12.686,96 71.612,97 19.097,98 0.252,99 1.534,100 30.821,101 11.14,102 51.624,103 16.534,104 14,105 49,106 0.214,107 0.545,108 0.687,109 0.792,110 0.825,111 0.835,112 3.56,113 0.964,114 -5.59,115 -5.46,116 -5.1,121 43.8,123 4,124 1,127 4,144 10,145 5,149 2,160 2,165 1,166 1,167 1,176 19,180 7,182 1,183 2,185 3,187 21,189 1,192 6,197 3,200 14,203 1,205 2,206 9,208 1,209 2,210 1,211 5,213 1,214 8,216 2,219 9,224 6,227 9,229 2,231 1,232 8,234 1,235 2,237 5,239 11,241 3,244 6,247 1,249 3,251 14,253 2,256 2,261 1,264 13,266 1,268 1,269 4,274 3,277 12,279 2,281 2180,282 23.637,283 23.637,284 23.637,285 23.637,286 23.637,287 21.209,288 24.523,289 14.34,290 23.906,291 18.18,292 18.18,293 18.18,294 18.18,295 18.18,296 14.476,297 32.219,298 6.656,299 18.63,300 4.646,301 2.554,302 1.66,303 0.992,304 0.781,305 0.719,306 4.259,312 1,313 1104,314 3.391,318 512.324,325 2.176,326 25.927,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 71,338 512,339 4.664,340 4.125,341 6.977,342 4.259,343 3.274,344 4.416,345 2.035,346 11.858,347 3.227,348 3.941,349 4.045,350 5.924,351 3.69,352 2.726,353 3.457,354 2.035,355 8.128,356 2.634,357 3.909,358 3.187,359 5.702,360 3.484,361 2.508,362 3.422,363 0.916,364 7.788,365 2.472,366 3.875,367 3.018,368 5.616,369 3.461,370 2.469,371 3.224,372 0.4,373 7.526,374 2.425,375 3.606,376 2.59,377 5.331,378 3.391,379 2.418,380 2.639,381 0.172,382 6.949,383 2.349,384 3.433,385 2.555,386 4.954,387 3.044,388 2.089,389 2.606,391 5.868,392 1.984,393 3.192,394 2.468,395 4.828,396 2.843,397 1.878,398 2.248,400 5.134,401 1.807,402 3.153,403 2.241,404 3.956,405 2.489,406 1.512,407 1.96,409 3.293,410 1.476,411 3.13,412 1.946,413 3.696,414 2.4,415 1.41,416 1.932,418 3.038,419 1.393,420 2.829,421 1.615,422 3.6,423 2.305,424 1.324,425 1.675,427 2.947,428 1.296,429 2.643,430 1.511,431 3.492,432 2,433 1.027,434 1.5,436 2.278,437 1,438 2.5,439 1.332,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.5,448 1.08,449 3.259,450 1.984,451 1,452 1.333,454 2.136,455 0.983,456 2.463,457 1.077,458 3.247,459 1.975,460 1,461 1.125,463 2.136,464 0.971,465 2,466 1,467 3.247,468 1.567,469 0.61,470 1,472 1.09,473 0.582,474 16.4,475 0.482,476 0.568,477 0.017,478 46,479 1.353,480 25,481 0.735,482 21,483 0.618,484 29.669,485 0.873,486 35.2,487 0.55,488 34.515,489 1.015,490 8.575,491 0.252,492 8.115,493 0.239,494 0.073,496 0.268,501 0.939,502 1.182,503 0.865,504 1.008,505 0.551,506 0.943,507 0.888,508 1.034,509 0.982,510 1.036,511 0.395,512 1.022,513 0.878,514 1.099,515 0.937,516 1.038,517 0.479,518 1.002,519 0.667,520 0.957,521 0.861,522 0.968,523 0.53,524 0.94,525 1.042,526 1.095,527 0.902,528 0.961,529 0.921,530 0.926,531 1.314,532 1.063,533 1.135,534 1.046,535 1.205,536 1.068,537 1.266,538 0.907,539 1.108,540 0.957,541 1.348,542 1.006,543 1.059,544 0.888,545 1.054,546 0.966,547 1.119,548 1.002,549 5,550 0.144,551 2.889,552 2.188,553 2.12,554 0.958,555 0.606,556 0.387,557 0.185,558 0.224,559 19001,560 44422,561 2.095,562 46.9,563 3,564 18,567 3,569 6,572 1.755,573 2,574 3.786,575 0.753,582 86.678,583 1.354,584 3.446,585 4.34,586 5.008,587 5.219,588 5.281,589 3.232,590 4.558,591 5.058,592 4.027,593 2259.07,594 8.841,595 36688.2,600 384,601 1.223,602 5.037,603 0.135,604 0.005,605 0.059,606 0.041,607 0.041,608 0.018,609 0.014,610 0.012,611 0.006,612 0.007,613 0.339,614 0.17,615 0.88,616 0.699,617 186.248,618 -0.053,619 -0.031,620 0.036,621 0.027,622 0.074,623 0.038,624 0.029,625 0.046,626 -0.048,627 -0.022,628 0.053,629 -0.039,630 -0.001,631 -0.105,632 0.027,633 -0.033,634 0.085,635 -0.006,636 0.267,637 0.005,638 0.127,639 0.022,640 0.253,641 0.054,642 0.007,643 -0.111,644 0.092,645 0.012,646 0.116,647 0.052,648 -0.047,649 -0.039,650 -0.128,651 -0.106,652 0.095,653 -0.121,654 -0.133,655 0.053,656 -0.092,657 -0.005,658 -0.162,659 -0.038,660 -0.122,661 0.05,662 -0.058,663 0.017,664 -0.163,665 -0.008,666 1.52,667 3.878,668 0.706,669 40.602,670 0.988,671 1.125,672 4.36,673 19.013,674 0.675,675 3.638,676 3.912,677 4.19,678 4.454,679 4.682,680 4.644,681 4.691,682 4.736,683 4.727,684 4.71,685 8.727,686 0.632,687 450.64,688 3.638,689 5.153,690 5.994,691 6.858,692 7.718,693 8.591,694 9.46,695 10.337,696 11.212,697 12.093,698 9.4,701 1,702 1,703 1,707 2,708 1,715 10,716 1,720 7,722 18,724 2,733 1,734 1,741 64,743 20,744 2,745 37,747 67,748 28,749 17,750 2,751 10,756 4,757 4,767 2,768 1,770 4,771 2,772 17,773 9,774 1,793 30,794 6,795 3,796 6,802 6,808 1,822 1,829 4,855 1,859 4,868 34,869 1,876 8,877 1,880 1,881 1,885 2,889 2,891 2,901 17,902 11.3,903 7.806,904 4.056,907 2.959,908 1.38,909 0.984,910 8.025,911 10.753,912 3.932,913 4.425,914 5.006,915 5.587,916 6.128,917 6.322,918 6.584,919 6.845,920 7.031,921 7.064,922 0.9,923 53,924 12.554,926 5.26,927 0.026,929 7.662,931 24.39,933 20.128,936 2.162,937 73.5,941 317.82,942 167.111,943 132.936,948 167.111,949 317.82,950 132.936,952 18.561,953 127.66,954 68,955 81.171,956 4.656,957 317.82,959 317.82,960 300.047,964 247.193,965 70.627,968 83.804,969 181.447,970 34.796,972 317.82,973 132.936,974 167.111,977 317.82,978 39.145,979 97.887,980 51.214,981 111.801,982 317.82,983 132.936,984 167.111,986 0.561,987 0.338,988 0.196,989 0.111,990 21,991 9,992 0.119,993 8,995 1,996 4.59,997 303.706,999 24,1000 160.974,1005 23.62,1006 11.552,1007 5.892,1009 132.936,1010 20.081,1011 4.35,1015 3.926,1017 50.908,1018 617.867,1019 50,1031 63.214,1032 71.972,1034 0.226,1035 0.574,1036 0.723,1037 0.835,1038 0.87,1039 0.88,1040 5.162,1041 1.512,1042 5.943,1043 5.134,1044 4.595,1045 5.112,1046 2.964,1047 6.727,1048 4.547,1049 6.342,1050 1.41,1051 7.477,1052 3.293,1053 4.007,1054 4.677,1055 0.325,1056 7.612,1057 3.934,1058 7.623,1059 1.324,1060 9.118,1061 3.038,1062 6.146,1063 7.228,1064 4.257,1065 10.749,1066 6.056,1067 8.939,1068 1.027,1069 10.828,1070 2.947,1071 6.447,1072 7.715,1073 0.393,1074 12.554,1075 6.338,1076 10.291,1077 1,1078 12.585,1079 2.278,1080 7.993,1081 9.675,1082 5.654,1083 15.221,1084 7.869,1085 11.671,1086 1,1087 14.375,1088 2.275,1089 8.731,1090 10.631,1091 0.384,1092 17.419,1093 8.593,1094 13.074,1095 1,1096 16.192,1097 2.136,1098 10.032,1099 12.327,1100 7.07,1101 19.948,1102 9.88,1103 3.274,1104 0.61,1105 18.029,1106 2.136,1107 10.992,1108 13.535,1109 0.351,1110 22.311,1111 10.828,1112 2.726,1113 11.858,1114 19.882,1115 1.09,1116 12.198,1117 15.109,1118 8.49,1119 24.799,1120 12.021,1121 2.508,1122 8.128,1123 21.75,1124 4.416,1125 13.269,1126 16.45,1127 0.312,1128 27.229,1129 13.081,1130 2.469,1131 7.788,1132 23.63,1133 3.457,1134 14.444,1135 17.97,1136 9.911,1137 29.705,1138 14.244,1139 2.418,1140 7.526,1141 25.519,1142 3.422,1143 15.569,1144 19.381,1145 0.273,1146 32.161,1147 15.358,1148 2.089,1149 6.949,1150 27.418,1151 3.224,1152 16.739,1153 20.878,1154 11.331,1155 34.635,1156 16.515,1157 1.878,1158 5.868,1159 29.323,1160 2.639,1161 17.891,1162 22.325,1163 0.236,1164 37.101,1165 17.656,1166 17968,1167 27716,1168 25.137,1169 43.171,1170 56.057,1171 59.136,1172 55.78,1173 53.625,1174 53.583,1175 69.306,1176 11.116,1177 147.253,1178 52.237,1179 5.664,1180 6.125,1181 6.779,1182 5.304,1183 5.274,1184 7.416,1185 4.069,1186 19.366,1187 5.227,1188 13.614,1189 1.515,1190 1.598,1191 1.508,1192 1.449,1193 1.448,1194 1.873,1195 0.3,1196 3.98,1197 1.412,1198 4.039,1199 4.072,1200 4.007,1201 3.968,1202 6.825,1203 3.972,1204 3.949,1205 3.993,1206 3.865,1207 3.867,1208 6.815,1209 3.861,1210 3.833,1211 3.879,1212 3.722,1213 3.735,1214 5.138,1215 3.724,1216 3.767,1217 3.809,1218 3.698,1219 3.669,1220 4.768,1221 3.674,1222 3.554,1223 3.629,1224 3.415,1225 3.384,1226 4.746,1227 3.379,1228 3.317,1229 3.379,1230 3.28,1231 3.154,1232 4.515,1233 3.18,1234 3.222,1235 3.296,1236 3.104,1237 3.049,1238 4.322,1239 3.047,1240 3.111,1241 3.206,1242 2.994,1243 2.941,1244 4.051,1245 2.91,1246 0.126,1247 0.111,1248 0.189,1249 0.115,1250 0.088,1251 4.664,1252 0.119,1253 4.125,1254 0.055,1255 6.977,1256 0.32,1257 4.259,1258 0.087,1259 3.274,1260 4.416,1261 2.035,1262 11.858,1263 3.227,1264 1.985,1265 1.964,1266 2.107,1267 2.079,1268 1.492,1269 2.088,1270 1.935,1271 1.897,1272 2.058,1273 2.058,1274 1.201,1275 2.059,1276 1.846,1277 1.798,1278 2.019,1279 1.958,1280 1.163,1281 1.981,1282 1.743,1283 1.707,1284 1.862,1285 1.877,1286 1.091,1287 1.879,1288 1.546,1289 1.474,1290 1.766,1291 1.743,1292 0.857,1293 1.759,1294 1.256,1295 1.198,1296 1.513,1297 1.479,1298 0.825,1299 1.487,1300 1.186,1301 1.127,1302 1.502,1303 1.391,1304 0.74,1305 1.429,1306 1.153,1307 1.064,1308 1.34,1309 1.376,1310 0.538,1311 1.378,1312 4.317,1314 5.602,1316 7.098,1318 8.693,1320 10.343,1326 6.095,1328 8.599,1329 3.314,1332 0.725,1333 2.54,1338 19.505,1339 4.365,1340 40.45,1341 86.678,1342 220.565,1343 277.761,1344 320.49,1345 334,1346 338,1347 65.723,1348 7.794,1349 101.76,1350 101.76,1351 24,1352 12.63,1353 4.392,1354 3.807,1355 57.345,1356 180,1357 188,1358 0.152,1359 252.492,1360 442.5,1361 607.841,1362 30089,1364 23.753,1365 0.699,1366 0.57,1367 23.753,1368 19.374,1369 16.69,1370 0.451,1371 0.321,1372 11.793,1373 16.334,1374 11.534,1375 9.596,1376 16.69,1377 11.885,1378 14.004,1379 0.286,1380 0.18,1381 14.004,1382 8.834,1383 11.932,1384 0.184,1385 0.101,1386 11.932,1387 6.549,1388 10.158,1389 0.12,1390 0.056,1391 10.158,1392 4.72,1393 8.369,1394 0.078,1395 0.032,1396 8.369,1397 3.433,1398 0.248,1399 102.612,1400 0.199,1401 32.203,1402 0.391,1403 172,1404 418.226,1405 180.382,1406 428.777,1407 588.09,1408 400,1409 200,1410 430.282,1411 208.993,1412 446.543,1413 644.26,1414 420,1415 6.62}
{0 CHEMBL2088782,1 1.344,2 15.886,3 5.669,4 32.142,5 144.794,6 6.935,7 0.474,8 4.265,9 4.402,10 3.77,11 3.85,12 5.351,13 3.803,14 4.81,15 5.002,16 4.075,17 4.253,18 5.737,19 4.167,20 5.137,21 5.381,22 4.181,23 4.433,24 6.011,25 4.313,26 5.227,27 5.495,28 4.187,29 4.442,30 6.18,31 4.308,32 5.205,33 5.472,34 4.18,35 4.42,36 6.204,37 4.297,38 5.181,39 5.443,40 4.073,41 4.366,42 6.264,43 4.227,44 5.146,45 5.441,46 3.801,47 4.238,48 6.031,49 4.061,50 4.966,51 5.265,52 3.615,53 4.082,54 5.762,55 3.898,56 0.069,57 0.986,58 14.405,59 5.997,60 17.289,61 8.473,62 0.206,63 1.602,64 26.192,65 10.475,66 20.502,67 14.986,68 0.236,69 2.078,70 37.92,71 14.483,72 35.12,73 21.253,74 0.395,75 2.224,76 42.45,77 15.917,78 64.577,79 23.421,80 0.304,81 2.191,82 41.563,83 14.694,84 65.816,85 22.031,86 0.404,87 2.161,88 40.639,89 13.925,90 99.566,91 20.887,92 0.363,93 1.971,94 40.242,95 13.52,96 72.446,97 20.538,98 0.308,99 1.619,100 33.551,101 11.939,102 52.286,103 17.858,104 14,105 50,106 0.211,107 0.534,108 0.681,109 0.798,110 0.83,111 0.839,112 3.588,113 0.978,114 -5.79,115 -5.65,116 -5.26,121 43.3,123 5,124 1,127 4,144 10,145 5,149 2,160 2,165 1,166 1,167 1,176 20,180 7,182 1,183 2,185 3,187 22,189 1,192 6,197 3,200 15,203 1,205 2,206 9,208 1,209 2,210 1,211 5,213 1,214 10,216 2,219 9,224 5,227 9,229 2,231 1,232 9,234 1,235 2,237 7,239 11,241 3,244 5,249 3,251 13,253 2,256 4,259 1,261 1,264 15,266 1,269 2,274 1,277 14,279 1,281 2377,282 24.344,283 24.344,284 24.344,285 24.344,286 24.344,287 21.916,288 24.523,289 14.84,290 24.613,291 18.68,292 18.68,293 18.68,294 18.68,295 18.68,296 14.976,297 32.219,298 6.906,299 19.13,300 4.722,301 2.661,302 1.723,303 0.978,304 0.776,305 0.716,306 4.287,312 1,313 1198,314 3.536,318 536.925,325 2.309,326 26.02,329 0.75,330 0.67,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.79,337 73,338 556,339 4.664,340 4.125,341 6.977,342 4.259,343 3.274,344 4.416,345 2.035,346 11.858,347 3.227,348 3.941,349 4.045,350 5.924,351 3.69,352 2.726,353 3.457,354 2.035,355 8.128,356 2.634,357 3.909,358 3.187,359 5.702,360 3.479,361 2.506,362 3.422,363 0.916,364 7.788,365 2.471,366 3.875,367 3.018,368 5.616,369 3.467,370 2.472,371 3.224,372 0.4,373 7.526,374 2.427,375 3.606,376 2.583,377 5.331,378 3.391,379 2.419,380 2.638,381 0.172,382 6.949,383 2.35,384 3.433,385 2.561,386 4.954,387 3.047,388 2.092,389 2.608,391 5.868,392 1.988,393 3.19,394 2.468,395 4.829,396 2.852,397 1.886,398 2.249,400 5.135,401 1.816,402 3.159,403 2.242,404 3.968,405 2.603,406 1.622,407 1.961,409 3.46,410 1.589,411 3.131,412 1.956,413 3.697,414 2.412,415 1.419,416 1.935,418 3.043,419 1.409,420 2.833,421 1.689,422 3.634,423 2.323,424 1.338,425 1.724,427 2.964,428 1.316,429 2.659,430 1.517,431 3.578,432 2.073,433 1.125,434 1.5,436 2.54,437 1.063,438 2.592,439 1.344,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.5,448 1.215,449 3.26,450 2,451 1,452 1.464,454 2.136,455 1,456 2.5,457 1.077,458 3.247,459 1.984,460 1,461 1.126,463 2.136,464 0.983,465 2,466 1,467 3.247,468 1.687,469 0.727,470 1,472 1.528,473 0.696,474 16.9,475 0.483,476 0.568,477 0.016,478 46.5,479 1.329,480 25,481 0.714,482 21.5,483 0.614,484 31.537,485 0.901,486 36.5,487 0.545,488 34.73,489 0.992,490 8.575,491 0.245,492 8.615,493 0.246,494 0.071,496 0.26,501 0.938,502 1.193,503 0.881,504 1.024,505 0.55,506 0.961,507 0.884,508 1.049,509 0.995,510 1.054,511 0.393,512 1.038,513 0.868,514 1.092,515 0.932,516 1.032,517 0.473,518 0.996,519 0.663,520 0.958,521 0.859,522 0.966,523 0.525,524 0.937,525 1.044,526 1.064,527 0.903,528 0.945,529 0.914,530 0.917,531 1.201,532 1.092,533 1.119,534 1.082,535 1.17,536 1.091,537 1.304,538 0.952,539 1.111,540 0.975,541 1.315,542 1.016,543 1.054,544 0.812,545 1.035,546 0.916,547 1.059,548 0.964,549 5,550 0.182,551 2.889,552 2.188,553 2.12,554 1.014,555 0.565,556 0.387,557 0.185,558 0.143,559 21210,560 48679,561 2.092,562 47.8,563 5,564 18,567 3,569 6,572 1.761,573 2,574 3.857,575 0.735,582 90.037,583 1.344,584 3.405,585 4.343,586 5.088,587 5.29,588 5.35,589 3.327,590 4.672,591 5.101,592 4.106,593 2443.3,594 8.917,595 41339.4,600 406.428,601 1.206,602 5.08,603 0.132,604 0.006,605 0.058,606 0.041,607 0.04,608 0.019,609 0.013,610 0.012,611 0.007,612 0.005,613 0.331,614 0.17,615 0.75,616 0.686,617 194.608,618 -0.047,619 -0.031,620 0.036,621 0.026,622 0.08,623 0.037,624 0.033,625 0.034,626 -0.05,627 -0.031,628 0.057,629 -0.045,630 0.009,631 -0.099,632 0.036,633 -0.025,634 0.09,635 0.002,636 0.269,637 0.006,638 0.127,639 0.024,640 0.257,641 0.056,642 0.002,643 -0.08,644 0.092,645 0.029,646 0.121,647 0.062,648 -0.005,649 -0.077,650 -0.118,651 -0.129,652 0.118,653 -0.133,654 -0.169,655 0.004,656 -0.098,657 -0.026,658 -0.15,659 -0.05,660 -0.074,661 0.116,662 -0.033,663 0.055,664 -0.128,665 0.022,666 1.518,667 3.875,668 0.686,669 43.283,670 0.987,671 1.125,672 4.556,673 20.756,674 0.671,675 3.664,676 3.932,677 4.205,678 4.466,679 4.691,680 4.654,681 4.691,682 4.727,683 4.7,684 4.654,685 9.225,686 0.627,687 464.67,688 3.664,689 5.176,690 6.014,691 6.874,692 7.732,693 8.602,694 9.47,695 10.345,696 11.218,697 12.097,698 9,701 1,702 1,703 1,707 2,708 1,715 10,716 1,720 7,722 18,724 2,733 1,734 1,741 67,743 20,744 2,745 38,747 70,748 29,749 17,750 2,751 10,756 4,757 4,767 2,768 1,770 5,771 2,772 17,773 10,774 1,793 32,794 6,795 3,796 6,802 6,808 1,822 1,829 4,855 1,859 4,868 35,869 1,876 9,877 1,880 1,881 1,885 2,889 2,891 2,901 17.5,902 11.8,903 8.056,904 4.306,907 2.936,908 1.375,909 0.98,910 8.607,911 10.764,912 3.951,913 4.437,914 5.012,915 5.591,916 6.13,917 6.324,918 6.583,919 6.841,920 7.019,921 7.041,922 1,923 54,924 12.932,926 5.402,927 0.026,929 7.643,931 25.206,933 20.794,936 2.143,937 75,941 341.362,942 169.645,943 132.936,948 169.645,949 341.362,950 132.936,952 21.095,953 127.66,954 68,955 81.171,956 4.656,957 341.362,959 341.362,960 302.582,964 270.735,965 70.627,968 86.339,969 181.447,970 34.796,972 341.362,973 132.936,974 169.645,977 341.362,978 41.679,979 97.887,980 51.214,981 111.801,982 341.362,983 132.936,984 169.645,986 0.559,987 0.336,988 0.194,989 0.11,990 21,991 9,992 0.129,993 9,995 1,996 4.71,997 312,999 24,1000 167.525,1005 24.588,1006 12.253,1007 6.327,1009 132.936,1010 20.127,1011 4.347,1015 3.947,1017 50.908,1018 643.944,1019 51,1031 66.098,1032 75.387,1034 0.222,1035 0.561,1036 0.716,1037 0.839,1038 0.872,1039 0.882,1040 5.179,1041 1.622,1042 5.958,1043 5.135,1044 4.615,1045 5.124,1046 2.964,1047 6.737,1048 4.568,1049 6.354,1050 1.419,1051 7.488,1052 3.46,1053 4.007,1054 4.677,1055 0.325,1056 7.612,1057 3.934,1058 7.632,1059 1.338,1060 9.126,1061 3.043,1062 6.159,1063 7.233,1064 4.257,1065 10.751,1066 6.07,1067 8.946,1068 1.125,1069 10.833,1070 2.964,1071 6.447,1072 7.715,1073 0.393,1074 12.554,1075 6.338,1076 10.296,1077 1,1078 12.588,1079 2.54,1080 8,1081 9.676,1082 5.654,1083 15.221,1084 7.876,1085 11.674,1086 1,1087 14.377,1088 2.275,1089 8.731,1090 10.631,1091 0.384,1092 17.419,1093 8.593,1094 13.076,1095 1,1096 16.193,1097 2.136,1098 10.035,1099 12.327,1100 7.07,1101 19.948,1102 9.883,1103 3.274,1104 0.727,1105 18.029,1106 2.136,1107 10.992,1108 13.535,1109 0.351,1110 22.311,1111 10.828,1112 2.726,1113 11.858,1114 19.883,1115 1.528,1116 12.199,1117 15.109,1118 8.49,1119 24.799,1120 12.023,1121 2.506,1122 8.128,1123 21.75,1124 4.416,1125 13.269,1126 16.45,1127 0.312,1128 27.229,1129 13.081,1130 2.472,1131 7.788,1132 23.63,1133 3.457,1134 14.444,1135 17.97,1136 9.911,1137 29.705,1138 14.245,1139 2.419,1140 7.526,1141 25.519,1142 3.422,1143 15.569,1144 19.381,1145 0.273,1146 32.161,1147 15.358,1148 2.092,1149 6.949,1150 27.418,1151 3.224,1152 16.739,1153 20.878,1154 11.331,1155 34.635,1156 16.516,1157 1.886,1158 5.868,1159 29.323,1160 2.638,1161 17.891,1162 22.325,1163 0.236,1164 37.101,1165 17.656,1166 20044,1167 30639,1168 25.83,1169 44.932,1170 57.358,1171 60.422,1172 57.065,1173 54.9,1174 54.84,1175 70.557,1176 11.116,1177 149.775,1178 53.495,1179 5.664,1180 6.125,1181 6.779,1182 5.304,1183 5.274,1184 7.416,1185 4.069,1186 19.366,1187 5.227,1188 13.961,1189 1.509,1190 1.59,1191 1.502,1192 1.445,1193 1.443,1194 1.857,1195 0.293,1196 3.941,1197 1.408,1198 4.038,1199 4.072,1200 4.006,1201 3.968,1202 6.825,1203 3.972,1204 3.952,1205 3.996,1206 3.866,1207 3.868,1208 6.815,1209 3.862,1210 3.836,1211 3.882,1212 3.722,1213 3.741,1214 5.138,1215 3.728,1216 3.77,1217 3.814,1218 3.702,1219 3.672,1220 4.768,1221 3.677,1222 3.611,1223 3.681,1224 3.464,1225 3.458,1226 4.746,1227 3.448,1228 3.348,1229 3.421,1230 3.296,1231 3.174,1232 4.515,1233 3.196,1234 3.263,1235 3.328,1236 3.152,1237 3.095,1238 4.327,1239 3.098,1240 3.111,1241 3.206,1242 3.023,1243 2.941,1244 4.086,1245 2.918,1246 0.123,1247 0.109,1248 0.184,1249 0.112,1250 0.086,1251 4.664,1252 0.116,1253 4.125,1254 0.054,1255 6.977,1256 0.312,1257 4.259,1258 0.085,1259 3.274,1260 4.416,1261 2.035,1262 11.858,1263 3.227,1264 1.985,1265 1.964,1266 2.11,1267 2.077,1268 1.497,1269 2.088,1270 1.935,1271 1.897,1272 2.058,1273 2.062,1274 1.247,1275 2.062,1276 1.851,1277 1.802,1278 2.023,1279 1.961,1280 1.167,1281 1.985,1282 1.747,1283 1.71,1284 1.901,1285 1.886,1286 1.128,1287 1.893,1288 1.612,1289 1.545,1290 1.795,1291 1.789,1292 0.884,1293 1.804,1294 1.308,1295 1.238,1296 1.568,1297 1.538,1298 0.825,1299 1.552,1300 1.207,1301 1.156,1302 1.513,1303 1.41,1304 0.809,1305 1.429,1306 1.153,1307 1.064,1308 1.415,1309 1.376,1310 0.635,1311 1.4,1312 4.344,1314 5.624,1316 7.114,1318 8.704,1320 10.351,1326 6.094,1328 9.968,1329 3.307,1332 0.782,1333 2.558,1338 19.503,1339 4.366,1340 41.977,1341 90.037,1342 228.159,1343 290.97,1344 340.918,1345 354.428,1346 358.428,1347 69.043,1348 7.827,1349 101.76,1350 101.76,1351 24,1352 12.636,1353 4.392,1354 3.807,1355 60.063,1356 197,1357 201,1358 0.145,1359 262.084,1360 459.8,1361 631.246,1362 32424,1364 24.46,1365 0.699,1366 0.574,1367 24.46,1368 20.081,1369 17.19,1370 0.452,1371 0.326,1372 12.293,1373 16.834,1374 12.025,1375 10.013,1376 17.19,1377 12.385,1378 14.357,1379 0.287,1380 0.184,1381 14.357,1382 9.188,1383 12.182,1384 0.185,1385 0.103,1386 12.182,1387 6.799,1388 10.335,1389 0.12,1390 0.057,1391 10.335,1392 4.887,1393 8.49,1394 0.079,1395 0.033,1396 8.49,1397 3.576,1398 0.238,1399 105.612,1400 0.197,1401 33.159,1402 0.368,1403 176,1404 422.226,1405 184.382,1406 432.939,1407 593.85,1408 404,1409 204,1410 434.282,1411 212.993,1412 450.704,1413 650.02,1414 424,1415 6.921}
{0 CHEMBL2088783,1 1.433,2 11.56,3 2.272,4 5.161,5 100.961,6 7.388,7 0.444,8 3.89,9 4.027,10 3.446,11 3.448,12 5.058,13 3.423,14 4.414,15 4.603,16 3.761,17 3.837,18 5.42,19 3.778,20 4.73,21 4.966,22 3.837,23 3.993,24 5.721,25 3.9,26 4.814,27 5.094,28 3.736,29 3.951,30 5.85,31 3.822,32 4.69,33 4.963,34 3.657,35 3.882,36 5.673,37 3.766,38 4.621,39 4.865,40 3.601,41 3.864,42 5.735,43 3.734,44 4.628,45 4.908,46 3.371,47 3.743,48 5.578,49 3.579,50 4.413,51 4.72,52 3.155,53 3.451,54 5.388,55 3.301,56 0.038,57 0.708,58 8.993,59 3.63,60 15.177,61 5.06,62 0.15,63 1.118,64 16.631,65 6.298,66 16.59,67 8.969,68 0.172,69 1.422,70 24.523,71 8.433,72 33.704,73 12.543,74 0.387,75 1.448,76 28.624,77 9.501,78 66.597,79 14.245,80 0.217,81 1.281,82 24.971,83 8.351,84 50.903,85 12.592,86 0.248,87 1.236,88 22.239,89 8.222,90 64.494,91 11.946,92 0.186,93 1.159,94 23.614,95 8.063,96 56.756,97 12.164,98 0.264,99 0.916,100 19.959,101 5.994,102 49.627,103 9.286,104 14,105 36,106 0.246,107 0.615,108 0.742,109 0.794,110 0.812,111 0.82,112 3.266,113 0.925,114 -3.91,115 -3.86,116 -3.66,121 42.2,123 2,127 3,129 1,144 6,145 3,149 2,160 2,165 1,166 1,167 1,176 8,180 7,182 1,183 2,185 4,187 8,189 1,192 5,197 2,200 3,203 1,205 2,206 6,208 1,209 3,210 1,211 2,213 1,214 4,216 1,219 1,227 6,231 2,232 3,234 1,235 2,237 3,239 6,241 2,244 1,249 2,251 2,255 1,256 4,258 1,259 1,261 2,264 1,269 2,274 1,277 3,281 907,282 17.187,283 17.187,284 17.187,285 17.187,286 17.187,287 15.476,288 26.104,289 10.26,290 17.449,291 13.22,292 13.22,293 13.22,294 13.22,295 13.22,296 10.542,297 42.219,298 4.745,299 13.675,300 4.059,301 1.907,302 1.161,303 0.861,304 0.756,305 0.711,306 3.951,310 1,311 1,312 1,313 613,314 2.739,318 268.661,325 1.853,326 21.919,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 53,338 289,339 4.431,340 4.095,341 6.318,342 3.987,343 3.023,344 4.122,345 2.035,346 9.655,347 2.917,348 3.944,349 4.045,350 5.815,351 3.68,352 2.722,353 3.457,354 2.035,355 7.936,356 2.614,357 3.911,358 3.061,359 5.607,360 3.497,361 2.521,362 3.233,363 0.916,364 7.697,365 2.459,366 3.601,367 2.983,368 5.309,369 3.323,370 2.345,371 2.635,372 0.4,373 6.805,374 2.289,375 3.409,376 2.651,377 4.96,378 2.989,379 2.042,380 2.412,381 0.172,382 5.863,383 1.925,384 3.203,385 2.445,386 4.589,387 2.639,388 1.693,389 2.173,391 4.761,392 1.596,393 3.03,394 2.211,395 3.701,396 2.409,397 1.417,398 1.908,400 3.042,401 1.404,402 2.824,403 1.763,404 3.585,405 2,406 1.033,407 1.5,409 2.344,410 1,411 2.767,412 1.517,413 3.414,414 1.984,415 1,416 1.492,418 2.275,419 0.983,420 2.5,421 1.108,422 3.247,423 1.97,424 1,425 1,427 2.136,428 0.966,429 2,430 1.077,431 2.932,432 1.408,433 0.467,434 0.957,436 0.675,437 0.438,438 1.681,439 1,440 2.795,441 1.213,442 0.262,443 0.301,445 0.613,446 0.248,447 1.309,448 0.428,449 2.672,450 0.835,451 -0.108,452 -0.155,454 -0.19,455 -0.102,456 0.966,457 0.015,458 2.471,459 0.636,460 -0.298,461 -0.411,463 -0.682,464 -0.277,465 0.731,466 -0.062,467 2,468 0.346,469 -0.612,470 -0.725,472 -1.485,473 -0.587,474 11.9,475 0.476,476 0.482,477 0.019,478 35,479 1.4,480 19,481 0.76,482 16,483 0.64,484 18.316,485 0.733,486 25.9,487 0.576,488 23.716,489 0.949,490 6.63,491 0.265,492 5.56,493 0.222,494 0.101,496 0.286,501 0.969,502 1.254,503 0.822,504 1.011,505 0.555,506 0.917,507 0.891,508 1.073,509 0.934,510 1.03,511 0.371,512 0.995,513 1.036,514 1.224,515 1.017,516 1.127,517 0.489,518 1.08,519 0.791,520 0.83,521 0.947,522 0.942,523 0.625,524 0.961,525 0.977,526 0.933,527 0.907,528 0.895,529 0.824,530 0.892,531 0.735,532 0.985,533 1.105,534 1.181,535 0.671,536 1.189,537 0.929,538 1.09,539 1.1,540 1.162,541 1.232,542 1.155,543 1.092,544 0.766,545 0.99,546 0.823,547 1.23,548 0.881,549 5,550 0.095,551 2.222,552 1.313,553 1.498,554 0.597,555 0.463,556 0.313,557 0.152,558 0.137,559 7565,560 20487,561 2.062,562 44.4,564 13,567 3,570 4,572 1.676,573 1.948,574 3.469,575 0.966,576 1,577 1,582 64.474,583 1.433,584 3.585,585 4.33,586 4.631,587 4.736,588 4.781,589 2.939,590 4.244,591 4.614,592 3.64,593 1092.06,594 7.955,595 13651,597 1,599 1,600 247.133,601 1.323,602 4.583,603 0.185,604 0.006,605 0.062,606 0.035,607 0.047,608 0.019,609 0.017,610 0.015,611 0.009,612 0.009,613 0.403,614 0.33,615 1,616 0.844,617 122.531,618 -0.099,619 -0.082,620 0.027,621 0.014,622 0.053,623 0.033,624 0.026,625 0.014,626 -0.03,627 -0.027,628 0.066,629 -0.034,630 -0.082,631 -0.224,632 -0.06,633 -0.145,634 0.079,635 -0.107,636 0.222,637 0.103,638 0.064,639 0.024,640 0.182,641 0.023,642 -0.056,643 -0.004,644 0.089,645 0.093,646 0.022,647 0.107,648 0.129,649 -0.013,650 -0.149,651 -0.181,652 0.159,653 -0.197,654 -0.061,655 -0.192,656 -0.103,657 -0.17,658 -0.183,659 -0.147,660 0.009,661 0.13,662 0.06,663 0.119,664 -0.135,665 0.1,666 1.509,667 3.276,668 0.72,669 24.474,670 0.995,671 1.131,672 2.676,673 7.159,674 0.675,675 3.332,676 3.611,677 3.85,678 4.06,679 4.29,680 4.248,681 4.277,682 4.369,683 4.407,684 4.466,685 6.701,686 0.64,687 332.45,688 3.332,689 4.844,690 5.673,691 6.526,692 7.372,693 8.229,694 9.08,695 9.939,696 10.793,697 11.653,698 13.3,701 1,702 1,703 1,707 2,708 1,715 6,716 1,720 5,722 12,724 2,733 1,734 1,741 45,743 14,744 1,745 27,747 47,748 19,749 11,750 1,751 5,756 3,757 3,767 3,770 3,771 2,772 11,773 6,789 1,790 1,793 20,794 6,795 3,796 6,802 6,808 1,822 1,829 3,855 1,859 3,868 25,869 1,876 5,877 1,880 1,881 1,885 2,889 2,891 2,901 12.833,902 7.967,903 5.722,904 2.715,907 2.371,908 1.337,909 0.973,910 5.384,911 9.394,912 3.638,913 4.111,914 4.654,915 5.15,916 5.633,917 5.772,918 5.826,919 5.918,920 5.845,921 6.052,922 0.875,923 37,924 9.181,926 3.833,927 0.026,929 7.807,931 17.562,933 14.318,936 2.307,937 57.667,941 200.109,942 115.66,943 132.936,948 115.66,949 200.109,950 132.936,952 11.386,953 89.755,954 68,955 74.8,956 4.656,957 200.109,959 200.109,960 248.596,964 153.024,965 47.084,968 76.629,969 137.171,970 34.796,972 200.109,973 132.936,974 115.66,977 200.109,978 25.599,979 59.982,980 51.214,981 111.801,982 200.109,983 132.936,984 115.66,986 0.566,987 0.336,988 0.18,989 0.101,990 16,991 7,992 0.085,993 4,995 1,996 3.778,997 195.887,999 18,1000 108.096,1005 17.082,1006 7.88,1007 4.208,1009 132.936,1010 11.944,1011 4.204,1015 2.547,1017 50.908,1018 448.705,1019 37,1031 44.796,1032 50.896,1034 0.261,1035 0.653,1036 0.789,1037 0.843,1038 0.862,1039 0.871,1040 4.875,1041 1.033,1042 5.631,1043 3.042,1044 4.29,1045 4.796,1046 2.964,1047 6.385,1048 4.222,1049 6.063,1050 1,1051 7.154,1052 2.344,1053 3.761,1054 4.388,1055 0.325,1056 7.154,1057 3.651,1058 7.344,1059 1,1060 8.771,1061 2.275,1062 5.832,1063 6.887,1064 4.257,1065 10.204,1066 5.694,1067 8.653,1068 0.467,1069 10.444,1070 2.136,1071 6.111,1072 7.335,1073 0.393,1074 11.762,1075 5.93,1076 9.99,1077 0.262,1078 12.151,1079 0.675,1080 7.624,1081 9.271,1082 5.654,1083 14.312,1084 7.418,1085 11.349,1086 -0.108,1087 13.881,1088 0.613,1089 8.292,1090 10.148,1091 0.384,1092 16.219,1093 8.042,1094 12.725,1095 -0.298,1096 15.628,1097 -0.19,1098 9.561,1099 11.825,1100 7.07,1101 18.584,1102 9.284,1103 3.023,1104 -0.612,1105 17.386,1106 -0.682,1107 10.429,1108 12.936,1109 0.351,1110 20.663,1111 10.109,1112 2.722,1113 9.655,1114 19.155,1115 -1.485,1116 11.587,1117 14.482,1118 8.49,1119 22.956,1120 11.238,1121 2.521,1122 7.936,1123 20.932,1124 4.122,1125 12.559,1126 15.724,1127 0.312,1128 25.122,1129 12.169,1130 2.345,1131 7.697,1132 22.715,1133 3.457,1134 13.671,1135 17.203,1136 9.911,1137 27.389,1138 13.248,1139 2.042,1140 6.805,1141 24.504,1142 3.233,1143 14.698,1144 18.519,1145 0.273,1146 29.6,1147 14.235,1148 1.693,1149 5.863,1150 26.299,1151 2.635,1152 15.791,1153 19.965,1154 11.331,1155 31.86,1156 15.294,1157 1.417,1158 4.761,1159 28.098,1160 2.412,1161 16.847,1162 21.323,1163 0.236,1164 34.095,1165 16.312,1166 7360,1167 12257,1168 18.087,1169 30.364,1170 41.712,1171 44.732,1172 40.553,1173 39.087,1174 39.047,1175 50.38,1176 11.116,1177 107.598,1178 37.677,1179 5.431,1180 6.095,1181 6.12,1182 5.035,1183 5.023,1184 7.122,1185 4.069,1186 16.365,1187 4.917,1188 11.258,1189 1.545,1190 1.657,1191 1.502,1192 1.448,1193 1.446,1194 1.866,1195 0.412,1196 3.985,1197 1.395,1198 3.988,1199 4.037,1200 3.938,1201 3.881,1202 6.825,1203 3.884,1204 3.907,1205 3.943,1206 3.847,1207 3.822,1208 6.815,1209 3.829,1210 3.775,1211 3.829,1212 3.665,1213 3.647,1214 5.139,1215 3.644,1216 3.338,1217 3.405,1218 3.306,1219 3.166,1220 4.756,1221 3.194,1222 3.239,1223 3.309,1224 3.141,1225 3.063,1226 4.556,1227 3.067,1228 3.111,1229 3.206,1230 3.003,1231 2.941,1232 4.288,1233 2.91,1234 3.071,1235 3.159,1236 2.866,1237 2.812,1238 3.906,1239 2.853,1240 2.911,1241 3.011,1242 2.765,1243 2.735,1244 3.712,1245 2.715,1246 0.164,1247 0.152,1248 0.234,1249 0.148,1250 0.112,1251 4.431,1252 0.153,1253 4.095,1254 0.075,1255 6.318,1256 0.358,1257 3.987,1258 0.108,1259 3.023,1260 4.122,1261 2.035,1262 9.655,1263 2.917,1264 1.932,1265 1.895,1266 2.08,1267 2.074,1268 1.414,1269 2.078,1270 1.88,1271 1.848,1272 1.996,1273 1.995,1274 1.138,1275 1.992,1276 1.767,1277 1.714,1278 1.89,1279 1.91,1280 0.946,1281 1.917,1282 1.272,1283 1.211,1284 1.513,1285 1.504,1286 0.825,1287 1.503,1288 1.188,1289 1.133,1290 1.501,1291 1.397,1292 0.725,1293 1.429,1294 1.153,1295 1.064,1296 1.309,1297 1.376,1298 0.432,1299 1.38,1300 0.966,1301 0.884,1302 1.212,1303 1.263,1304 0.218,1305 1.242,1306 0.886,1307 0.821,1308 1.181,1309 1.149,1310 0.099,1311 1.148,1312 4.007,1314 5.293,1316 6.783,1318 8.361,1320 9.983,1326 5.777,1328 4.873,1329 3.327,1332 0.249,1333 2.43,1338 18.272,1339 4.043,1340 28.816,1341 64.474,1342 161.305,1343 194.869,1344 208.379,1345 213.133,1346 215.133,1347 43.651,1348 7.024,1349 101.76,1350 101.76,1351 18,1352 12.205,1353 3.907,1354 3.459,1355 42.017,1356 101,1357 96,1358 0.204,1359 182.337,1360 317.98,1361 436.661,1362 10341,1364 17.648,1365 0.706,1366 0.558,1367 17.648,1368 13.943,1369 12.19,1370 0.451,1371 0.308,1372 8.239,1373 11.84,1374 8.065,1375 6.694,1376 12.19,1377 8.329,1378 10.408,1379 0.289,1380 0.173,1381 10.408,1382 6.221,1383 8.794,1384 0.191,1385 0.097,1386 8.794,1387 4.47,1388 7.059,1389 0.124,1390 0.054,1391 7.059,1392 3.083,1393 5.765,1394 0.08,1395 0.032,1396 5.765,1397 2.272,1398 0.326,1399 75.566,1400 0.235,1401 24.676,1402 0.542,1403 126,1404 338.226,1405 134.715,1406 345.229,1407 465.81,1408 320,1409 145,1410 336.563,1411 154.326,1412 348.358,1413 497.54,1414 326,1415 5.509}
{0 CHEMBL2088784,1 1.402,2 13.222,3 3.239,4 10.489,5 110.456,6 7.069,7 0.414,8 4.001,9 4.142,10 3.518,11 3.554,12 5.123,13 3.518,14 4.542,15 4.74,16 3.818,17 3.95,18 5.496,19 3.874,20 4.864,21 5.109,22 3.892,23 4.116,24 5.789,25 4.001,26 4.958,27 5.244,28 3.783,29 4.075,30 5.921,31 3.922,32 4.869,33 5.167,34 3.659,35 3.973,36 5.763,37 3.825,38 4.745,39 5.022,40 3.575,41 3.912,42 5.753,43 3.757,44 4.693,45 4.977,46 3.448,47 3.852,48 5.529,49 3.686,50 4.568,51 4.841,52 3.408,53 3.749,54 5.467,55 3.598,56 0.05,57 0.786,58 10.827,59 4.305,60 15.029,61 6.165,62 0.176,63 1.244,64 19.91,65 7.51,66 16.836,67 10.912,68 0.187,69 1.577,70 28.812,71 10.253,72 34.303,73 15.423,74 0.374,75 1.619,76 33.142,77 11.318,78 66.663,79 17.148,80 0.276,81 1.45,82 30.662,83 9.931,84 53.139,85 15.401,86 0.311,87 1.319,88 26.505,89 9.348,90 68.968,91 13.96,92 0.205,93 1.218,94 25.223,95 8.936,96 45.654,97 13.477,98 0.198,99 1.104,100 22.024,101 7.746,102 37.211,103 11.66,104 14,105 38,106 0.235,107 0.582,108 0.719,109 0.791,110 0.824,111 0.831,112 3.339,113 0.962,114 -4.36,115 -4.29,116 -4.05,121 41.2,123 3,124 1,127 4,144 6,145 3,149 2,160 2,165 1,166 1,167 1,176 11,180 7,182 1,183 2,185 3,187 10,189 1,192 6,197 3,200 3,203 1,205 2,206 6,208 1,209 2,210 1,211 4,213 1,214 3,216 1,219 2,227 7,231 1,232 3,234 1,235 3,237 1,239 11,241 1,244 1,249 1,251 9,253 1,255 1,256 4,261 3,264 5,266 2,269 2,274 2,277 1,281 1135,282 18.602,283 18.602,284 18.602,285 18.602,286 18.602,287 16.89,288 24.523,289 11.192,290 18.871,291 14.203,292 14.203,293 14.203,294 14.203,295 14.203,296 11.516,297 32.219,298 5.171,299 14.654,300 4.27,301 2.194,302 1.373,303 0.946,304 0.745,305 0.706,306 4.025,311 1,312 1,313 756,314 3.082,318 305.899,325 2.066,326 21.957,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 57,338 357,339 4.427,340 4.095,341 6.304,342 3.973,343 3.007,344 4.12,345 2.035,346 9.587,347 2.906,348 3.941,349 4.045,350 5.786,351 3.689,352 2.726,353 3.457,354 2.035,355 7.789,356 2.633,357 3.903,358 3.019,359 5.616,360 3.475,361 2.482,362 3.225,363 0.916,364 7.713,365 2.469,366 3.606,367 2.992,368 5.331,369 3.396,370 2.423,371 2.638,372 0.4,373 6.947,374 2.353,375 3.426,376 2.574,377 4.954,378 3.037,379 2.084,380 2.42,381 0.172,382 5.867,383 1.976,384 3.194,385 2.497,386 4.648,387 2.724,388 1.779,389 2.241,391 4.93,392 1.676,393 3.133,394 2.238,395 3.814,396 2.423,397 1.43,398 1.93,400 3.067,401 1.419,402 2.83,403 1.884,404 3.593,405 2.239,406 1.294,407 1.629,409 2.941,410 1.22,411 2.803,412 1.528,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.5,421 1.438,422 3.306,423 1.984,424 1,425 1.102,427 2.136,428 0.983,429 2.246,430 1.077,431 3.247,432 1.833,433 0.882,434 1,436 1.885,437 0.836,438 2,439 1,440 2.848,441 1.408,442 0.467,443 0.954,445 0.674,446 0.438,447 1.597,448 0.921,449 2.794,450 1.187,451 0.227,452 0.255,454 0.526,455 0.217,456 1.288,457 0.39,458 2.6,459 0.855,460 -0.096,461 -0.128,463 -0.175,464 -0.091,465 0.971,466 0.012,467 2.441,468 0.662,469 -0.273,470 -0.394,472 -0.573,473 -0.255,474 12.9,475 0.478,476 0.482,477 0.018,478 36,479 1.333,480 19,481 0.704,482 17,483 0.63,484 21.699,485 0.804,486 28.5,487 0.559,488 24.166,489 0.895,490 6.67,491 0.247,492 6.52,493 0.241,494 0.093,496 0.264,501 0.959,502 1.277,503 0.866,504 1.056,505 0.545,506 0.968,507 0.894,508 1.061,509 0.976,510 1.051,511 0.368,512 1.028,513 0.899,514 1.204,515 0.99,516 1.139,517 0.453,518 1.086,519 0.736,520 0.936,521 0.951,522 1.019,523 0.585,524 1.012,525 1.014,526 0.905,527 0.916,528 0.875,529 0.754,530 0.882,531 0.779,532 0.841,533 1.028,534 1.015,535 0.638,536 1.045,537 0.875,538 0.907,539 1.011,540 1.003,541 0.957,542 1.019,543 0.88,544 0.963,545 1.031,546 1.048,547 0.956,548 1.056,549 5,550 0.095,551 2.444,552 1.313,553 1.338,554 0.597,555 0.403,556 0.26,557 0.205,558 0.144,559 10071,560 25873,561 2.057,562 47.1,563 1,564 14,567 3,569 6,572 1.693,573 1.952,574 3.657,575 0.908,576 1,577 1,582 71.506,583 1.402,584 3.479,585 4.299,586 4.726,587 4.927,588 4.967,589 3.102,590 4.31,591 4.727,592 3.846,593 1349.9,594 8.163,595 18628.5,597 1,599 1,600 289.294,601 1.277,602 4.698,603 0.172,604 0.006,605 0.064,606 0.034,607 0.041,608 0.02,609 0.015,610 0.011,611 0.009,612 0.007,613 0.378,614 0.17,615 1,616 0.806,617 137.998,618 -0.076,619 -0.077,620 0.03,621 0.009,622 0.073,623 0.028,624 0.022,625 0.038,626 -0.044,627 -0.023,628 0.071,629 -0.038,630 -0.023,631 -0.211,632 -0.031,633 -0.132,634 0.105,635 -0.091,636 0.211,637 -0.01,638 0.042,639 -0.046,640 0.197,641 -0.026,642 -0.049,643 0.004,644 0.087,645 0.091,646 0.054,647 0.103,648 0.129,649 0.102,650 -0.047,651 -0.028,652 0.185,653 -0.053,654 -0.068,655 0.004,656 -0.034,657 -0.001,658 -0.122,659 -0.011,660 -0.012,661 -0.022,662 -0.055,663 -0.053,664 -0.116,665 -0.058,666 1.506,667 3.242,668 0.667,669 28.93,670 0.991,671 1.132,672 3.126,673 9.773,674 0.664,675 3.401,676 3.664,677 3.892,678 4.078,679 4.277,680 4.205,681 4.19,682 4.22,683 4.248,684 4.344,685 7.675,686 0.625,687 360.51,688 3.401,689 4.905,690 5.727,691 6.569,692 7.405,693 8.251,694 9.092,695 9.939,696 10.782,697 11.63,698 11.8,701 1,702 1,703 1,707 2,708 1,715 6,716 1,720 5,722 12,724 2,733 1,734 1,741 51,743 14,744 1,745 29,747 53,748 21,749 11,750 1,751 5,756 3,757 3,767 2,768 1,770 3,771 2,772 11,773 8,774 1,790 1,793 24,794 6,795 3,796 6,802 6,808 1,822 1,829 3,855 1,859 3,868 27,869 1,876 7,877 1,880 1,881 1,885 2,889 2,891 2,901 13.833,902 8.967,903 6.222,904 3.174,907 2.305,908 1.324,909 0.966,910 6.524,911 9.428,912 3.689,913 4.143,914 4.673,915 5.15,916 5.615,917 5.722,918 5.732,919 5.718,920 5.569,921 5.775,922 0.889,923 39,924 9.933,926 4.109,927 0.026,929 7.747,931 19.195,933 15.661,936 2.247,937 60.667,940 1,941 247.193,942 120.3,943 132.936,948 120.3,949 247.193,950 132.936,952 16.026,953 89.755,954 68,955 74.8,956 4.656,957 247.193,959 247.193,960 253.236,964 176.567,965 70.627,968 81.269,969 137.171,970 34.796,972 247.193,973 132.936,974 120.3,977 247.193,978 30.239,979 59.982,980 51.214,981 111.801,982 247.193,983 132.936,984 120.3,986 0.562,987 0.333,988 0.177,989 0.097,990 16,991 7,992 0.113,993 6,995 1,996 4.038,997 210.926,999 18,1000 120.382,1005 19.021,1006 9.261,1007 5.126,1009 132.936,1010 12.085,1011 4.17,1015 2.594,1017 50.908,1018 500.43,1019 39,1031 50.563,1032 57.727,1034 0.247,1035 0.613,1036 0.758,1037 0.833,1038 0.869,1039 0.876,1040 4.92,1041 1.294,1042 5.673,1043 3.067,1044 4.344,1045 4.828,1046 2.964,1047 6.409,1048 4.281,1049 6.095,1050 1,1051 7.185,1052 2.941,1053 3.761,1054 4.388,1055 0.325,1056 7.154,1057 3.666,1058 7.368,1059 1,1060 8.792,1061 2.275,1062 5.866,1063 6.899,1064 4.257,1065 10.194,1066 5.745,1067 8.67,1068 0.882,1069 10.457,1070 2.136,1071 6.111,1072 7.335,1073 0.393,1074 11.747,1075 5.955,1076 10.003,1077 0.467,1078 12.157,1079 1.885,1080 7.641,1081 9.274,1082 5.654,1083 14.28,1084 7.46,1085 11.357,1086 0.227,1087 13.882,1088 0.674,1089 8.285,1090 10.146,1091 0.384,1092 16.183,1093 8.067,1094 12.729,1095 -0.096,1096 15.624,1097 0.526,1098 9.56,1099 11.823,1100 7.07,1101 18.533,1102 9.317,1103 3.007,1104 -0.273,1105 17.379,1106 -0.175,1107 10.411,1108 12.932,1109 0.351,1110 20.607,1111 10.129,1112 2.726,1113 9.587,1114 19.144,1115 -0.573,1116 11.57,1117 14.478,1118 8.49,1119 22.889,1120 11.26,1121 2.482,1122 7.789,1123 20.917,1124 4.12,1125 12.529,1126 15.719,1127 0.312,1128 25.047,1129 12.181,1130 2.423,1131 7.713,1132 22.697,1133 3.457,1134 13.638,1135 17.198,1136 9.911,1137 27.306,1138 13.259,1139 2.084,1140 6.947,1141 24.483,1142 3.225,1143 14.654,1144 18.513,1145 0.273,1146 29.509,1147 14.237,1148 1.779,1149 5.867,1150 26.274,1151 2.638,1152 15.743,1153 19.958,1154 11.331,1155 31.761,1156 15.293,1157 1.43,1158 4.93,1159 28.07,1160 2.42,1161 16.791,1162 21.316,1163 0.236,1164 33.989,1165 16.303,1166 9750,1167 15813,1168 19.474,1169 33.887,1170 44.243,1171 47.335,1172 43.173,1173 41.636,1174 41.602,1175 52.94,1176 11.116,1177 112.677,1178 40.255,1179 5.427,1180 6.095,1181 6.106,1182 5.018,1183 5.007,1184 7.12,1185 4.069,1186 16.285,1187 4.906,1188 12.061,1189 1.526,1190 1.632,1191 1.489,1192 1.436,1193 1.435,1194 1.826,1195 0.383,1196 3.885,1197 1.388,1198 3.983,1199 4.032,1200 3.929,1201 3.882,1202 6.825,1203 3.881,1204 3.918,1205 3.958,1206 3.858,1207 3.823,1208 6.815,1209 3.833,1210 3.818,1211 3.866,1212 3.704,1213 3.715,1214 5.139,1215 3.705,1216 3.483,1217 3.564,1218 3.365,1219 3.291,1220 4.756,1221 3.296,1222 3.298,1223 3.356,1224 3.253,1225 3.139,1226 4.551,1227 3.162,1228 3.168,1229 3.249,1230 3.062,1231 2.99,1232 4.317,1233 2.986,1234 3.111,1235 3.206,1236 2.946,1237 2.941,1238 4.025,1239 2.91,1240 3.049,1241 3.142,1242 2.866,1243 2.784,1244 3.787,1245 2.825,1246 0.153,1247 0.141,1248 0.217,1249 0.137,1250 0.104,1251 4.427,1252 0.142,1253 4.095,1254 0.07,1255 6.304,1256 0.331,1257 3.973,1258 0.1,1259 3.007,1260 4.12,1261 2.035,1262 9.587,1263 2.906,1264 1.935,1265 1.897,1266 2.101,1267 2.072,1268 1.481,1269 2.085,1270 1.879,1271 1.846,1272 2.016,1273 2.008,1274 1.165,1275 1.998,1276 1.824,1277 1.778,1278 1.916,1279 1.943,1280 1.026,1281 1.956,1282 1.458,1283 1.381,1284 1.712,1285 1.684,1286 0.914,1287 1.698,1288 1.227,1289 1.178,1290 1.513,1291 1.436,1292 0.825,1293 1.435,1294 1.153,1295 1.075,1296 1.455,1297 1.376,1298 0.677,1299 1.429,1300 1.145,1301 1.064,1302 1.298,1303 1.367,1304 0.41,1305 1.365,1306 0.941,1307 0.856,1308 1.187,1309 1.248,1310 0.218,1311 1.221,1312 4.078,1314 5.352,1316 6.828,1318 8.392,1320 10,1326 5.76,1328 7.398,1329 3.218,1332 0.672,1333 2.51,1338 18.228,1339 4.032,1340 31.87,1341 71.506,1342 177.406,1343 219.255,1344 241.029,1345 251.294,1346 253.294,1347 49.43,1348 7.123,1349 101.76,1350 101.76,1351 18,1352 12.19,1353 3.907,1354 3.459,1355 47.432,1356 127,1357 113,1358 0.181,1359 201.521,1360 352.58,1361 483.472,1362 12659,1364 19.062,1365 0.706,1366 0.569,1367 19.062,1368 15.357,1369 13.19,1370 0.455,1371 0.321,1372 9.21,1373 12.834,1374 9.011,1375 7.492,1376 13.19,1377 9.302,1378 11.103,1379 0.292,1380 0.183,1381 11.103,1382 6.962,1383 9.345,1384 0.195,1385 0.106,1386 9.345,1387 5.094,1388 7.417,1389 0.128,1390 0.06,1391 7.417,1392 3.507,1393 5.925,1394 0.083,1395 0.036,1396 5.925,1397 2.546,1398 0.296,1399 81.612,1400 0.227,1401 26.735,1402 0.464,1403 134,1404 346.226,1405 142.382,1406 353.423,1407 476.41,1408 328,1409 153,1410 342.282,1411 161.993,1412 354.704,1413 505.61,1414 332,1415 6.658}
{0 CHEMBL2088785,1 1.388,2 14.036,3 3.695,4 13.652,5 115.057,6 6.936,7 0.4,8 4.052,9 4.195,10 3.552,11 3.603,12 5.154,13 3.562,14 4.6,15 4.802,16 3.847,17 4,18 5.533,19 3.918,20 4.926,21 5.177,22 3.92,23 4.166,24 5.827,25 4.043,26 5.014,27 5.304,28 3.81,29 4.13,30 5.951,31 3.97,32 4.928,33 5.224,34 3.694,35 4.042,36 5.794,37 3.882,38 4.838,39 5.122,40 3.592,41 3.972,42 5.801,43 3.805,44 4.782,45 5.083,46 3.43,47 3.884,48 5.576,49 3.7,50 4.602,51 4.885,52 3.395,53 3.768,54 5.439,55 3.61,56 0.055,57 0.824,58 11.725,59 4.643,60 15.356,61 6.708,62 0.185,63 1.307,64 21.481,65 8.106,66 17.743,67 11.858,68 0.203,69 1.656,70 30.971,71 11.014,72 35.701,73 16.671,74 0.393,75 1.695,76 35.085,77 12.056,78 68.08,79 18.299,80 0.26,81 1.526,82 32.23,83 10.91,84 51.581,85 16.809,86 0.309,87 1.416,88 29.232,89 10.177,90 71.177,91 15.389,92 0.265,93 1.288,94 27.952,95 9.688,96 46.447,97 14.747,98 0.188,99 1.115,100 22.95,101 8.025,102 38.708,103 12.195,104 14,105 39,106 0.23,107 0.566,108 0.72,109 0.815,110 0.83,111 0.836,112 3.373,113 0.98,114 -4.57,115 -4.5,116 -4.23,121 40.7,123 4,124 1,127 4,144 6,145 3,149 2,160 2,165 1,166 1,167 1,176 12,180 7,182 1,183 2,185 3,187 11,189 1,192 6,197 3,200 5,203 1,205 2,206 6,208 1,209 2,210 1,211 3,213 1,214 3,216 1,219 3,224 2,227 7,231 1,232 2,234 1,235 2,237 1,239 10,241 1,244 3,247 1,249 1,251 11,253 1,256 2,261 1,264 8,266 1,268 1,269 4,274 3,277 5,279 2,281 1262,282 19.309,283 19.309,284 19.309,285 19.309,286 19.309,287 17.597,288 24.523,289 11.692,290 19.578,291 14.703,292 14.703,293 14.703,294 14.703,295 14.703,296 12.016,297 32.219,298 5.419,299 15.157,300 4.367,301 2.334,302 1.403,303 0.829,304 0.741,305 0.704,306 4.06,311 1,312 1,313 832,314 3.24,318 324.144,325 2.179,326 22.05,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 59,338 393,339 4.427,340 4.095,341 6.304,342 3.973,343 3.006,344 4.12,345 2.035,346 9.587,347 2.906,348 3.941,349 4.045,350 5.786,351 3.69,352 2.726,353 3.457,354 2.035,355 7.788,356 2.634,357 3.902,358 3.018,359 5.616,360 3.473,361 2.476,362 3.225,363 0.916,364 7.713,365 2.47,366 3.606,367 2.993,368 5.331,369 3.402,370 2.432,371 2.638,372 0.4,373 6.949,374 2.357,375 3.427,376 2.566,377 4.954,378 3.044,379 2.09,380 2.42,381 0.172,382 5.868,383 1.984,384 3.191,385 2.504,386 4.65,387 2.748,388 1.8,389 2.247,391 4.938,392 1.7,393 3.146,394 2.242,395 3.844,396 2.456,397 1.479,398 1.934,400 3.232,401 1.446,402 2.833,403 1.913,404 3.597,405 2.38,406 1.4,407 1.676,409 3.031,410 1.367,411 2.808,412 1.569,413 3.461,414 2,415 1.027,416 1.5,418 2.275,419 1,420 2.5,421 1.505,422 3.414,423 1.984,424 1,425 1.333,427 2.252,428 0.983,429 2.462,430 1.08,431 3.247,432 1.975,433 1,434 1,436 2.136,437 0.971,438 2,439 1.077,440 2.945,441 1.427,442 0.476,443 0.957,445 1.008,446 0.451,447 1.757,448 1,449 2.795,450 1.403,451 0.457,452 0.525,454 0.674,455 0.431,456 1.406,457 0.558,458 2.721,459 1.039,460 0.077,461 0.088,463 0.178,464 0.074,465 1.17,466 0.269,467 2.502,468 0.738,469 -0.198,470 -0.319,472 -0.321,473 -0.185,474 13.4,475 0.479,476 0.482,477 0.017,478 36.5,479 1.304,480 19,481 0.679,482 17.5,483 0.625,484 23.468,485 0.838,486 29.8,487 0.552,488 24.359,489 0.87,490 6.67,491 0.238,492 7.02,493 0.251,494 0.09,496 0.254,501 0.956,502 1.287,503 0.885,504 1.076,505 0.543,506 0.99,507 0.888,508 1.079,509 0.992,510 1.074,511 0.366,512 1.05,513 0.884,514 1.191,515 0.98,516 1.126,517 0.445,518 1.074,519 0.743,520 0.907,521 0.948,522 0.997,523 0.582,524 0.996,525 0.895,526 0.949,527 0.908,528 0.935,529 0.722,530 0.925,531 0.838,532 0.905,533 1.039,534 1.036,535 0.621,536 1.056,537 0.874,538 0.816,539 0.992,540 0.939,541 0.9,542 0.972,543 0.923,544 0.91,545 0.982,546 0.964,547 0.967,548 0.977,549 5,550 0.115,551 2.444,552 1.313,553 1.418,554 0.542,555 0.362,556 0.292,557 0.152,558 0.158,559 11496,560 28834,561 2.055,562 48.1,563 3,564 14,567 3,569 6,572 1.701,573 1.953,574 3.736,575 0.882,577 1,582 74.935,583 1.388,584 3.421,585 4.352,586 4.926,587 5.014,588 5.051,589 3.213,590 4.307,591 4.781,592 3.936,593 1487.9,594 8.262,595 21523.2,597 1,599 1,600 310.764,601 1.255,602 4.752,603 0.167,604 0.006,605 0.063,606 0.033,607 0.042,608 0.017,609 0.013,610 0.013,611 0.007,612 0.007,613 0.367,614 0.17,615 1,616 0.789,617 145.816,618 -0.066,619 -0.075,620 0.031,621 0.007,622 0.08,623 0.026,624 0.029,625 0.025,626 -0.048,627 -0.036,628 0.074,629 -0.048,630 -0.01,631 -0.2,632 -0.016,633 -0.116,634 0.112,635 -0.075,636 0.2,637 0.022,638 0.041,639 -0.024,640 0.197,641 -0.012,642 -0.007,643 -0.042,644 0.079,645 0.044,646 0.071,647 0.067,648 0.074,649 0.03,650 -0.057,651 -0.055,652 0.182,653 -0.068,654 -0.02,655 0.079,656 -0.007,657 0.043,658 -0.089,659 0.024,660 -0.07,661 0.019,662 -0.005,663 0.03,664 -0.12,665 0.021,666 1.505,667 3.235,668 0.643,669 31.224,670 0.99,671 1.132,672 3.345,673 11.189,674 0.66,675 3.434,676 3.689,677 3.912,678 4.094,679 4.29,680 4.205,681 4.174,682 4.19,683 4.19,684 4.248,685 8.162,686 0.618,687 374.54,688 3.434,689 4.934,690 5.753,691 6.592,692 7.425,693 8.267,694 9.105,695 9.949,696 10.79,697 11.634,698 11.1,701 1,702 1,703 1,707 2,708 1,715 6,716 1,720 5,722 12,724 2,733 1,734 1,741 54,743 14,744 1,745 30,747 56,748 22,749 11,750 1,751 5,756 3,757 3,767 2,768 1,770 4,771 2,772 11,773 9,774 1,790 1,793 26,794 6,795 3,796 6,802 6,808 1,822 1,829 3,855 1,859 3,868 28,869 1,876 8,877 1,880 1,881 1,885 2,889 2,891 2,901 14.333,902 9.467,903 6.472,904 3.424,907 2.275,908 1.317,909 0.963,910 7.121,911 9.445,912 3.714,913 4.159,914 4.682,915 5.156,916 5.619,917 5.719,918 5.719,919 5.679,920 5.495,921 5.611,922 1,923 40,924 10.31,926 4.25,927 0.026,929 7.72,931 20.012,933 16.328,936 2.22,937 62.167,939 1,940 1,941 270.735,942 122.834,943 132.936,948 122.834,949 270.735,950 132.936,952 18.561,953 89.755,954 68,955 74.8,956 4.656,957 270.735,959 270.735,960 255.771,964 200.109,965 70.627,968 83.804,969 137.171,970 34.796,972 270.735,973 132.936,974 122.834,977 270.735,978 32.774,979 59.982,980 51.214,981 111.801,982 270.735,983 132.936,984 122.834,986 0.56,987 0.331,988 0.176,989 0.097,990 16,991 7,992 0.125,993 7,995 1,996 4.164,997 218.751,999 18,1000 126.606,1005 19.993,1006 9.973,1007 5.621,1009 132.936,1010 12.138,1011 4.164,1015 2.614,1017 50.908,1018 526.506,1019 40,1031 53.447,1032 61.142,1034 0.241,1035 0.594,1036 0.756,1037 0.856,1038 0.871,1039 0.878,1040 4.942,1041 1.4,1042 5.694,1043 3.232,1044 4.369,1045 4.844,1046 2.964,1047 6.422,1048 4.309,1049 6.11,1050 1.027,1051 7.2,1052 3.031,1053 3.761,1054 4.388,1055 0.325,1056 7.154,1057 3.666,1058 7.38,1059 1,1060 8.803,1061 2.275,1062 5.883,1063 6.905,1064 4.257,1065 10.198,1066 5.764,1067 8.679,1068 1,1069 10.464,1070 2.252,1071 6.111,1072 7.335,1073 0.393,1074 11.747,1075 5.955,1076 10.009,1077 0.476,1078 12.162,1079 2.136,1080 7.65,1081 9.276,1082 5.654,1083 14.281,1084 7.472,1085 11.362,1086 0.457,1087 13.885,1088 1.008,1089 8.285,1090 10.146,1091 0.384,1092 16.183,1093 8.068,1094 12.733,1095 0.077,1096 15.626,1097 0.674,1098 9.565,1099 11.824,1100 7.07,1101 18.533,1102 9.324,1103 3.006,1104 -0.198,1105 17.38,1106 0.178,1107 10.411,1108 12.932,1109 0.351,1110 20.607,1111 10.13,1112 2.726,1113 9.587,1114 19.145,1115 -0.321,1116 11.572,1117 14.478,1118 8.49,1119 22.888,1120 11.265,1121 2.476,1122 7.788,1123 20.918,1124 4.12,1125 12.529,1126 15.719,1127 0.312,1128 25.047,1129 12.182,1130 2.432,1131 7.713,1132 22.697,1133 3.457,1134 13.638,1135 17.198,1136 9.911,1137 27.306,1138 13.261,1139 2.09,1140 6.949,1141 24.483,1142 3.225,1143 14.654,1144 18.513,1145 0.273,1146 29.509,1147 14.238,1148 1.8,1149 5.868,1150 26.274,1151 2.638,1152 15.743,1153 19.958,1154 11.331,1155 31.761,1156 15.294,1157 1.479,1158 4.938,1159 28.07,1160 2.42,1161 16.79,1162 21.316,1163 0.236,1164 33.989,1165 16.304,1166 11111,1167 17806,1168 20.167,1169 35.648,1170 45.479,1171 48.587,1172 44.529,1173 42.92,1174 42.895,1175 54.241,1176 11.116,1177 115.256,1178 41.548,1179 5.427,1180 6.095,1181 6.106,1182 5.017,1183 5.006,1184 7.12,1185 4.069,1186 16.284,1187 4.906,1188 12.447,1189 1.516,1190 1.62,1191 1.484,1192 1.431,1193 1.43,1194 1.808,1195 0.371,1196 3.842,1197 1.385,1198 3.982,1199 4.031,1200 3.927,1201 3.882,1202 6.825,1203 3.881,1204 3.922,1205 3.962,1206 3.86,1207 3.824,1208 6.815,1209 3.834,1210 3.826,1211 3.873,1212 3.711,1213 3.727,1214 5.139,1215 3.717,1216 3.558,1217 3.635,1218 3.417,1219 3.385,1220 4.756,1221 3.38,1222 3.317,1223 3.379,1224 3.28,1225 3.154,1226 4.55,1227 3.18,1228 3.222,1229 3.297,1230 3.103,1231 3.048,1232 4.323,1233 3.046,1234 3.111,1235 3.206,1236 2.992,1237 2.941,1238 4.067,1239 2.91,1240 3.073,1241 3.162,1242 2.866,1243 2.826,1244 3.828,1245 2.857,1246 0.148,1247 0.137,1248 0.21,1249 0.132,1250 0.1,1251 4.427,1252 0.137,1253 4.095,1254 0.068,1255 6.304,1256 0.32,1257 3.973,1258 0.097,1259 3.006,1260 4.12,1261 2.035,1262 9.587,1263 2.906,1264 1.936,1265 1.897,1266 2.106,1267 2.072,1268 1.492,1269 2.086,1270 1.879,1271 1.846,1272 2.021,1273 2.012,1274 1.195,1275 2.001,1276 1.836,1277 1.79,1278 1.926,1279 1.95,1280 1.1,1281 1.965,1282 1.55,1283 1.476,1284 1.798,1285 1.754,1286 0.94,1287 1.774,1288 1.256,1289 1.198,1290 1.513,1291 1.479,1292 0.825,1293 1.488,1294 1.186,1295 1.126,1296 1.503,1297 1.396,1298 0.743,1299 1.429,1300 1.153,1301 1.064,1302 1.34,1303 1.376,1304 0.538,1305 1.382,1306 0.995,1307 0.911,1308 1.271,1309 1.273,1310 0.288,1311 1.273,1312 4.111,1314 5.38,1316 6.849,1318 8.408,1320 10.011,1326 5.757,1328 8.75,1329 3.204,1332 0.753,1333 2.534,1338 18.221,1339 4.031,1340 33.396,1341 74.935,1342 184.748,1343 234.989,1344 266.009,1345 270.764,1346 272.764,1347 52.587,1348 7.17,1349 101.76,1350 101.76,1351 18,1352 12.197,1353 3.907,1354 3.459,1355 50.241,1356 141,1357 122,1358 0.172,1359 211.114,1360 369.88,1361 506.877,1362 13906,1364 19.769,1365 0.706,1366 0.574,1367 19.769,1368 16.065,1369 13.69,1370 0.456,1371 0.327,1372 9.71,1373 13.334,1374 9.501,1375 7.909,1376 13.69,1377 9.802,1378 11.456,1379 0.294,1380 0.188,1381 11.456,1382 7.315,1383 9.595,1384 0.196,1385 0.109,1386 9.595,1387 5.331,1388 7.588,1389 0.129,1390 0.063,1391 7.588,1392 3.709,1393 6.079,1394 0.084,1395 0.038,1396 6.079,1397 2.714,1398 0.284,1399 84.612,1400 0.223,1401 27.738,1402 0.434,1403 138,1404 350.226,1405 146.382,1406 357.585,1407 482.17,1408 332,1409 157,1410 346.282,1411 165.993,1412 358.864,1413 511.35,1414 336,1415 8.027}
{0 CHEMBL2088786,1 1.374,2 14.862,3 4.151,4 17.231,5 119.658,6 6.817,7 0.387,8 4.101,9 4.245,10 3.585,11 3.65,12 5.184,13 3.605,14 4.656,15 4.86,16 3.875,17 4.048,18 5.569,19 3.959,20 4.985,21 5.241,22 3.946,23 4.213,24 5.862,25 4.083,26 5.068,27 5.36,28 3.84,29 4.179,30 5.983,31 4.013,32 4.986,33 5.285,34 3.724,35 4.099,36 5.828,37 3.933,38 4.899,39 5.182,40 3.63,41 4.041,42 5.831,43 3.863,44 4.871,45 5.178,46 3.449,47 3.946,48 5.633,49 3.75,50 4.699,51 5.001,52 3.376,53 3.803,54 5.491,55 3.625,56 0.061,57 0.863,58 12.611,59 4.982,60 15.616,61 7.247,62 0.194,63 1.37,64 23.022,65 8.698,66 18.456,67 12.79,68 0.217,69 1.735,70 33.056,71 11.765,72 36.921,73 17.888,74 0.405,75 1.772,76 36.963,77 12.773,78 68.545,79 19.427,80 0.275,81 1.602,82 34.064,83 11.639,84 52.308,85 17.94,86 0.296,87 1.493,88 30.874,89 11.195,90 69.657,91 16.809,92 0.258,93 1.385,94 30.49,95 10.476,96 47.166,97 16.107,98 0.246,99 1.186,100 25.606,101 8.77,102 39.665,103 13.436,104 14,105 40,106 0.225,107 0.55,108 0.711,109 0.821,110 0.834,111 0.84,112 3.407,113 0.997,114 -4.79,115 -4.7,116 -4.42,121 40.4,123 5,124 1,127 4,144 6,145 3,149 2,160 2,165 1,166 1,167 1,176 13,180 7,182 1,183 2,185 3,187 12,189 1,192 6,197 3,200 6,203 1,205 2,206 6,208 1,209 2,210 1,211 3,213 1,214 5,216 1,219 3,224 1,227 7,231 1,232 3,234 1,235 2,237 3,239 10,241 1,244 2,249 1,251 10,253 1,256 4,259 1,261 1,264 10,266 1,269 2,274 1,277 8,279 1,281 1417,282 20.016,283 20.016,284 20.016,285 20.016,286 20.016,287 18.304,288 24.523,289 12.192,290 20.285,291 15.203,292 15.203,293 15.203,294 15.203,295 15.203,296 12.516,297 32.219,298 5.669,299 15.657,300 4.459,301 2.471,302 1.491,303 0.82,304 0.737,305 0.702,306 4.094,311 1,312 1,313 912,314 3.391,318 342.218,325 2.3,326 22.149,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 61,338 431,339 4.427,340 4.095,341 6.304,342 3.972,343 3.006,344 4.12,345 2.035,346 9.587,347 2.906,348 3.941,349 4.045,350 5.786,351 3.69,352 2.726,353 3.457,354 2.035,355 7.788,356 2.634,357 3.902,358 3.018,359 5.616,360 3.473,361 2.474,362 3.225,363 0.916,364 7.713,365 2.47,366 3.606,367 2.993,368 5.331,369 3.404,370 2.435,371 2.638,372 0.4,373 6.949,374 2.358,375 3.427,376 2.564,377 4.954,378 3.047,379 2.092,380 2.42,381 0.172,382 5.868,383 1.988,384 3.189,385 2.506,386 4.65,387 2.772,388 1.819,389 2.249,391 4.94,392 1.73,393 3.152,394 2.243,395 3.867,396 2.555,397 1.583,398 1.937,400 3.419,401 1.536,402 2.836,403 1.932,404 3.61,405 2.409,406 1.417,407 1.725,409 3.04,410 1.405,411 2.812,412 1.639,413 3.561,414 2.073,415 1.126,416 1.5,418 2.509,419 1.064,420 2.604,421 1.515,422 3.414,423 2,424 1,425 1.464,427 2.275,428 1,429 2.5,430 1.217,431 3.247,432 1.984,433 1,434 1,436 2.136,437 0.983,438 2,439 1.077,440 3.084,441 1.687,442 0.727,443 0.96,445 1.523,446 0.696,447 1.964,448 1,449 2.803,450 1.408,451 0.466,452 0.824,454 0.674,455 0.438,456 1.539,457 0.776,458 2.789,459 1.168,460 0.204,461 0.226,463 0.468,464 0.196,465 1.27,466 0.365,467 2.554,468 0.871,469 -0.086,470 -0.109,472 -0.161,473 -0.082,474 13.9,475 0.479,476 0.482,477 0.017,478 37,479 1.276,480 19,481 0.655,482 18,483 0.621,484 25.256,485 0.871,486 31.1,487 0.546,488 24.554,489 0.847,490 6.67,491 0.23,492 7.52,493 0.259,494 0.086,496 0.245,501 0.954,502 1.295,503 0.904,504 1.093,505 0.542,506 1.01,507 0.882,508 1.096,509 1.007,510 1.095,511 0.364,512 1.069,513 0.872,514 1.18,515 0.972,516 1.115,517 0.439,518 1.064,519 0.737,520 0.911,521 0.943,522 0.994,523 0.575,524 0.991,525 0.897,526 0.918,527 0.909,528 0.918,529 0.714,530 0.915,531 0.714,532 0.95,533 1.024,534 1.087,535 0.588,536 1.089,537 0.928,538 0.881,539 1.006,540 0.966,541 0.871,542 0.99,543 0.916,544 0.808,545 0.965,546 0.899,547 0.898,548 0.931,549 5,550 0.128,551 2.444,552 1.313,553 1.418,554 0.597,555 0.322,556 0.26,557 0.177,558 0.117,559 13041,560 31979,561 2.053,562 49.1,563 5,564 14,567 3,569 6,572 1.71,573 1.955,574 3.812,575 0.857,577 1,582 78.317,583 1.374,584 3.362,585 4.342,586 5.013,587 5.096,588 5.131,589 3.25,590 4.375,591 4.832,592 4.02,593 1632.29,594 8.358,595 24707.2,597 1,600 332.475,601 1.233,602 4.804,603 0.161,604 0.006,605 0.061,606 0.032,607 0.041,608 0.019,609 0.011,610 0.011,611 0.008,612 0.005,613 0.355,614 0.17,615 1,616 0.772,617 153.687,618 -0.058,619 -0.073,620 0.031,621 0.006,622 0.086,623 0.025,624 0.034,625 0.012,626 -0.053,627 -0.047,628 0.076,629 -0.057,631 -0.189,632 -0.005,633 -0.104,634 0.116,635 -0.063,636 0.202,637 0.02,638 0.043,639 -0.022,640 0.2,641 -0.009,642 -0.015,643 -0.008,644 0.074,645 0.06,646 0.072,647 0.074,648 0.114,649 -0.019,650 -0.053,651 -0.09,652 0.198,653 -0.09,654 -0.07,655 0.01,656 -0.025,657 0.008,658 -0.082,659 -0.002,660 -0.015,661 0.1,662 0.02,663 0.073,664 -0.083,665 0.054,666 1.503,667 3.232,668 0.621,669 33.641,670 0.988,671 1.133,672 3.56,673 12.672,674 0.656,675 3.466,676 3.714,677 3.932,678 4.111,679 4.304,680 4.22,681 4.174,682 4.174,683 4.159,684 4.19,685 8.648,686 0.613,687 388.57,688 3.466,689 4.963,690 5.778,691 6.613,692 7.444,693 8.284,694 9.119,695 9.961,696 10.799,697 11.642,698 10.5,701 1,702 1,703 1,707 2,708 1,715 6,716 1,720 5,722 12,724 2,733 1,734 1,741 57,743 14,744 1,745 31,747 59,748 23,749 11,750 1,751 5,756 3,757 3,767 2,768 1,770 5,771 2,772 11,773 10,774 1,790 1,793 28,794 6,795 3,796 6,802 6,808 1,822 1,829 3,855 1,859 3,868 29,869 1,876 9,877 1,880 1,881 1,885 2,889 2,891 2,901 14.833,902 9.967,903 6.722,904 3.674,907 2.246,908 1.311,909 0.96,910 7.735,911 9.461,912 3.738,913 4.174,914 4.691,915 5.162,916 5.622,917 5.722,918 5.715,919 5.665,920 5.446,921 5.54,922 0.9,923 41,924 10.688,926 4.392,927 0.026,929 7.695,931 20.828,933 16.994,936 2.195,937 63.667,939 1,940 1,941 294.278,942 125.369,943 132.936,948 125.369,949 294.278,950 132.936,952 21.095,953 89.755,954 68,955 74.8,956 4.656,957 294.278,959 294.278,960 258.306,964 223.651,965 70.627,968 86.339,969 137.171,970 34.796,972 294.278,973 132.936,974 125.369,977 294.278,978 35.308,979 59.982,980 51.214,981 111.801,982 294.278,983 132.936,984 125.369,986 0.558,987 0.328,988 0.175,989 0.096,990 16,991 7,992 0.136,993 8,995 1,996 4.287,997 226.705,999 18,1000 132.881,1005 20.968,1006 10.699,1007 6.112,1009 132.936,1010 12.182,1011 4.161,1015 2.632,1017 50.908,1018 552.583,1019 41,1031 56.33,1032 64.557,1034 0.236,1035 0.576,1036 0.744,1037 0.859,1038 0.874,1039 0.88,1040 4.963,1041 1.417,1042 5.714,1043 3.419,1044 4.394,1045 4.86,1046 2.964,1047 6.435,1048 4.335,1049 6.126,1050 1.126,1051 7.215,1052 3.04,1053 3.761,1054 4.388,1055 0.325,1056 7.154,1057 3.666,1058 7.392,1059 1,1060 8.813,1061 2.509,1062 5.9,1063 6.911,1064 4.257,1065 10.202,1066 5.783,1067 8.688,1068 1,1069 10.471,1070 2.275,1071 6.111,1072 7.335,1073 0.393,1074 11.747,1075 5.955,1076 10.015,1077 0.727,1078 12.167,1079 2.136,1080 7.66,1081 9.278,1082 5.654,1083 14.281,1084 7.483,1085 11.366,1086 0.466,1087 13.888,1088 1.523,1089 8.285,1090 10.146,1091 0.384,1092 16.183,1093 8.068,1094 12.736,1095 0.204,1096 15.628,1097 0.674,1098 9.57,1099 11.824,1100 7.07,1101 18.534,1102 9.33,1103 3.006,1104 -0.086,1105 17.382,1106 0.468,1107 10.411,1108 12.932,1109 0.351,1110 20.607,1111 10.13,1112 2.726,1113 9.587,1114 19.146,1115 -0.161,1116 11.575,1117 14.479,1118 8.49,1119 22.888,1120 11.268,1121 2.474,1122 7.788,1123 20.918,1124 4.12,1125 12.529,1126 15.719,1127 0.312,1128 25.047,1129 12.182,1130 2.435,1131 7.713,1132 22.698,1133 3.457,1134 13.64,1135 17.198,1136 9.911,1137 27.306,1138 13.263,1139 2.092,1140 6.949,1141 24.483,1142 3.225,1143 14.654,1144 18.513,1145 0.273,1146 29.509,1147 14.238,1148 1.819,1149 5.868,1150 26.274,1151 2.638,1152 15.743,1153 19.958,1154 11.331,1155 31.761,1156 15.295,1157 1.583,1158 4.94,1159 28.07,1160 2.42,1161 16.79,1162 21.316,1163 0.236,1164 33.989,1165 16.304,1166 12588,1167 19947,1168 20.86,1169 37.41,1170 46.767,1171 49.878,1172 45.775,1173 44.189,1174 44.152,1175 55.492,1176 11.116,1177 117.778,1178 42.806,1179 5.427,1180 6.095,1181 6.106,1182 5.016,1183 5.006,1184 7.12,1185 4.069,1186 16.284,1187 4.906,1188 12.826,1189 1.509,1190 1.609,1191 1.477,1192 1.425,1193 1.424,1194 1.79,1195 0.359,1196 3.799,1197 1.381,1198 3.982,1199 4.031,1200 3.927,1201 3.882,1202 6.825,1203 3.881,1204 3.924,1205 3.965,1206 3.862,1207 3.824,1208 6.815,1209 3.835,1210 3.832,1211 3.877,1212 3.716,1213 3.735,1214 5.139,1215 3.723,1216 3.616,1217 3.689,1218 3.466,1219 3.46,1220 4.756,1221 3.45,1222 3.349,1223 3.422,1224 3.296,1225 3.174,1226 4.55,1227 3.196,1228 3.264,1229 3.329,1230 3.152,1231 3.094,1232 4.327,1233 3.098,1234 3.111,1235 3.206,1236 3.021,1237 2.941,1238 4.099,1239 2.91,1240 3.109,1241 3.195,1242 2.866,1243 2.906,1244 3.873,1245 2.909,1246 0.143,1247 0.132,1248 0.203,1249 0.128,1250 0.097,1251 4.427,1252 0.133,1253 4.095,1254 0.066,1255 6.304,1256 0.309,1257 3.972,1258 0.094,1259 3.006,1260 4.12,1261 2.035,1262 9.587,1263 2.906,1264 1.936,1265 1.897,1266 2.11,1267 2.071,1268 1.497,1269 2.087,1270 1.879,1271 1.845,1272 2.025,1273 2.015,1274 1.245,1275 2.004,1276 1.843,1277 1.797,1278 1.939,1279 1.955,1280 1.132,1281 1.971,1282 1.618,1283 1.549,1284 1.852,1285 1.805,1286 0.956,1287 1.828,1288 1.309,1289 1.238,1290 1.571,1291 1.539,1292 0.825,1293 1.554,1294 1.207,1295 1.156,1296 1.513,1297 1.412,1298 0.825,1299 1.429,1300 1.153,1301 1.064,1302 1.415,1303 1.376,1304 0.636,1305 1.401,1306 1.082,1307 1.002,1308 1.292,1309 1.322,1310 0.397,1311 1.337,1312 4.143,1314 5.407,1316 6.87,1318 8.423,1320 10.023,1326 5.756,1328 10.129,1329 3.197,1332 0.806,1333 2.553,1338 18.219,1339 4.032,1340 34.923,1341 78.317,1342 191.625,1343 247.481,1344 285.72,1345 290.475,1346 292.475,1347 55.916,1348 7.216,1349 101.76,1350 101.76,1351 18,1352 12.206,1353 3.907,1354 3.459,1355 53.115,1356 155,1357 132,1358 0.164,1359 220.706,1360 387.18,1361 530.282,1362 15213,1364 20.476,1365 0.706,1366 0.578,1367 20.476,1368 16.772,1369 14.19,1370 0.458,1371 0.332,1372 10.21,1373 13.834,1374 9.992,1375 8.325,1376 14.19,1377 10.302,1378 11.81,1379 0.295,1380 0.192,1381 11.81,1382 7.669,1383 9.845,1384 0.197,1385 0.112,1386 9.845,1387 5.581,1388 7.765,1389 0.129,1390 0.065,1391 7.765,1392 3.877,1393 6.2,1394 0.085,1395 0.039,1396 6.2,1397 2.858,1398 0.273,1399 87.612,1400 0.219,1401 28.726,1402 0.409,1403 142,1404 354.226,1405 150.382,1406 361.746,1407 487.93,1408 336,1409 161,1410 350.282,1411 169.993,1412 363.026,1413 517.11,1414 340,1415 7.155}
{0 CHEMBL208888,1 1.554,2 9.217,3 3.092,4 9.56,5 88.395,6 6.581,7 0.208,8 3.959,9 4.101,10 3.394,11 3.395,12 5.009,13 3.36,14 4.548,15 4.756,16 3.747,17 3.823,18 5.577,19 3.745,20 4.871,21 5.126,22 3.77,23 3.967,24 5.786,25 3.853,26 4.96,27 5.213,28 3.812,29 3.971,30 6.009,31 3.879,32 4.918,33 5.159,34 3.87,35 3.958,36 6.023,37 3.882,38 4.944,39 5.177,40 3.838,41 3.923,42 6.209,43 3.844,44 4.892,45 5.172,46 3.496,47 3.797,48 5.889,49 3.667,50 4.643,51 4.939,52 3.248,53 3.567,54 5.612,55 3.412,56 0.086,57 0.703,58 11.771,59 4.548,60 10.224,61 6.488,62 0.297,63 1.101,64 21.734,65 7.595,66 50.427,67 11.419,68 0.346,69 1.272,70 30.584,71 9.525,72 50.192,73 14.707,74 0.596,75 1.281,76 34.412,77 9.219,78 99.012,79 14.554,80 0.527,81 1.257,82 32.855,83 9.098,84 79.244,85 14.187,86 0.846,87 1.237,88 34.426,89 8.589,90 145.558,91 13.703,92 0.621,93 1.128,94 32.462,95 7.507,96 89.548,97 12.807,98 0.488,99 0.882,100 25.003,101 6.242,102 66.659,103 10.57,104 38,105 33,106 0.269,107 0.522,108 0.709,109 0.841,110 0.841,111 0.841,112 3.188,113 1.056,114 -3.99,115 -3.94,116 -3.73,121 32.7,122 2,123 7,124 1,125 1,127 1,149 1,153 1,160 2,168 2,170 1,174 1,176 10,177 1,179 1,180 3,183 3,185 2,187 11,188 2,192 6,195 2,197 5,200 7,201 2,205 1,206 7,211 5,214 6,215 3,218 2,219 9,220 1,224 5,225 1,227 5,228 2,231 1,232 12,235 2,236 1,237 3,239 4,244 9,245 1,249 1,251 3,255 1,256 3,257 2,259 1,264 3,268 2,269 3,272 2,277 3,281 803,282 15.3,283 15.3,284 15.3,285 15.3,286 15.3,287 14.408,288 19.576,289 9.041,290 15.484,291 11.693,292 11.693,293 11.693,294 11.693,295 11.693,296 10.23,297 26.85,298 4.044,299 11.927,300 4.061,301 2.606,302 1.527,303 0.766,304 0.766,305 0.766,306 3.841,310 1,311 1,312 1,313 428,314 4.243,317 150.694,325 1.376,326 31.854,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 51,338 212,339 4.568,340 4.026,341 7.627,342 4.506,343 3.503,344 3.78,345 2.341,346 13.9,347 3.51,348 4.103,349 3.711,350 5.905,351 3.69,352 2.734,353 3.613,354 1.907,355 8.097,356 2.652,357 3.835,358 2.864,359 5.658,360 3.634,361 2.642,362 2.994,363 0.149,364 7.865,365 2.562,366 3.284,367 2.673,368 5.045,369 2.989,370 2.037,371 2.44,373 5.853,374 1.937,375 2.91,376 2.083,377 4.617,378 2.591,379 1.593,380 1.927,382 4.082,383 1.579,384 2.654,385 2.022,386 3.962,387 2.439,388 1.433,389 1.607,391 3.132,392 1.425,393 2.291,394 1.369,395 3.618,396 2.196,397 1.189,398 1.266,400 2.604,401 1.191,402 2.214,403 1.016,404 3.585,405 1.77,406 0.78,407 1.082,409 1.756,410 0.768,411 1.845,412 0.872,413 3.292,414 1.713,415 0.709,416 0.776,418 1.464,419 0.707,420 1.618,421 0.618,422 3.144,423 1.618,424 0.618,425 0.618,427 1.36,428 0.618,429 1.498,430 0.459,431 2.855,432 1.304,433 0.336,434 0.382,436 0.492,437 0.324,438 0.973,439 0.422,440 2.508,441 0.676,442 -0.322,443 -0.324,445 -0.626,446 -0.321,447 0.682,448 0.247,449 2.464,450 0.589,451 -0.414,452 -0.519,454 -1.046,455 -0.41,456 0.472,457 -0.296,458 1.857,459 0.105,460 -0.924,461 -0.935,463 -2,464 -0.891,465 0.132,466 -0.608,467 1.572,468 -0.026,469 -1,470 -1.308,472 -2.097,473 -1.002,474 10.6,475 0.461,476 0.583,477 0.025,478 21.5,479 0.935,480 7.5,481 0.326,482 14,483 0.609,484 25.093,485 1.091,486 27.8,487 0.567,488 15.043,489 0.654,490 3.497,491 0.152,492 7.506,493 0.326,494 0.189,495 0.047,496 0.226,501 0.682,502 1.43,503 0.915,504 1.346,505 0.621,506 1.199,507 0.425,508 1.295,509 0.847,510 1.247,511 0.375,512 1.141,513 0.799,514 1.105,515 0.939,516 1.149,517 0.81,518 1.079,519 1.328,520 0.96,521 1.047,522 0.931,523 1.429,524 0.939,525 1.217,526 1.071,527 0.992,528 1.046,529 1.335,530 0.989,531 1.407,532 1.092,533 1.157,534 1.036,535 1.487,536 1.057,537 1.433,538 0.95,539 1.21,540 0.891,541 1.339,542 0.987,543 0.964,544 0.892,545 1.047,546 0.899,547 0.865,548 0.967,549 6,550 0.07,551 2.889,552 1.819,553 1.53,554 0.753,555 0.567,556 0.26,557 0.161,558 0.159,559 4778,560 12579,561 1.936,562 53.1,563 17,564 2,565 1,567 2,568 1,569 3,572 1.663,573 1.781,574 3.158,575 0.364,576 1,577 1,582 76.154,583 1.554,584 3.009,585 4.088,586 4.849,587 4.849,588 4.849,589 2.682,590 4.056,591 4.492,592 3.296,593 833.852,594 7.768,595 9461.07,597 1,599 1,600 275.121,601 1.644,602 4.423,603 0.25,604 0.01,605 0.088,606 0.057,607 0.046,608 0.022,609 0.018,610 0.012,611 0.009,612 0.012,613 0.523,614 0.33,615 1,616 1.649,617 106.736,618 0.038,619 0.014,620 0.032,621 -0.023,622 -0.005,623 -0.01,624 0.237,625 -0.06,626 0.085,627 -0.061,628 0.198,629 -0.027,630 0.001,631 -0.053,632 0.009,633 -0.092,634 -0.02,635 -0.046,636 -0.151,637 0.018,638 -0.036,639 0.045,640 -0.146,641 0.03,642 -0.055,643 -0.06,644 0.017,645 -0.036,646 -0.066,648 -0.006,649 -0.105,650 -0.109,651 -0.073,652 0.02,653 -0.108,654 -0.267,655 -0.016,656 -0.194,657 -0.007,658 -0.182,659 -0.075,660 -0.037,661 0.04,662 -0.07,664 0.004,665 -0.034,666 2.47,667 5.816,668 0.435,669 17.822,670 1.002,671 1.147,672 2.755,673 7.591,674 0.607,675 3.219,676 3.526,677 3.761,678 3.951,679 4.007,680 4.007,681 3.951,682 3.932,683 3.738,684 3.611,685 5.461,686 0.572,687 322.46,688 3.219,689 4.745,690 5.58,691 6.457,692 7.322,693 8.205,694 9.081,695 9.967,696 10.849,697 11.737,698 8.2,705 1,706 1,708 2,715 1,716 2,720 1,721 1,722 5,741 49,743 7,745 24,747 50,748 16,749 2,756 2,757 2,763 2,764 1,766 1,767 4,770 7,772 4,773 12,774 1,777 2,782 2,786 2,789 1,790 1,793 26,794 6,795 2,796 7,802 4,808 1,809 3,828 2,843 1,845 1,857 1,859 2,864 2,868 23,875 1,876 8,877 1,880 1,882 1,890 1,893 6.1,895 1,896 2,901 12.917,902 9.05,903 5.319,904 3.493,907 0.844,908 1.136,909 0.877,910 6.17,911 7.052,912 3.384,913 3.834,914 4.218,915 4.586,916 4.665,917 4.777,918 4.845,919 4.886,920 4.839,921 4.888,922 1,923 32,924 8.615,926 3.662,927 0.026,929 7.938,931 16.396,933 13.486,936 2.438,937 56.083,940 1,941 282.506,942 54.488,943 52.991,945 92.973,948 54.488,949 375.48,950 52.991,951 17.65,952 37.858,953 9.047,954 131.791,955 1.777,956 14.099,957 270.735,959 282.506,960 107.479,961 92.973,964 247.193,965 128.287,968 57.285,969 16.99,970 33.203,972 282.506,973 145.964,974 54.488,977 282.506,978 27.79,979 28.474,980 18.011,981 126.177,982 282.506,983 145.964,984 54.488,986 0.57,987 0.341,988 0.178,989 0.091,990 14,991 7,992 0.16,993 8,995 1,996 3.367,997 174.753,999 10,1000 100.042,1005 17.931,1006 7.914,1007 4.316,1009 144.187,1010 1.696,1011 7.858,1015 0.436,1016 1.647,1017 60.694,1018 482.958,1019 28.5,1024 24.301,1028 -0.914,1031 49.109,1032 56.189,1034 0.277,1035 0.536,1036 0.728,1037 0.864,1038 0.864,1039 0.864,1040 4.637,1041 0.78,1042 5.602,1043 2.604,1044 4.205,1045 4.516,1046 2.748,1047 6.472,1048 4.17,1049 5.817,1050 0.709,1051 7.213,1052 1.756,1053 4.007,1054 4.407,1055 2.591,1056 7.879,1057 3.97,1058 7.133,1059 0.618,1060 8.949,1061 1.464,1062 5.905,1063 6.523,1064 4.005,1065 10.921,1066 5.85,1067 8.489,1068 0.336,1069 10.768,1070 1.36,1071 6.581,1072 7.238,1073 4.392,1074 13.201,1075 6.539,1076 9.882,1077 -0.322,1078 12.644,1079 0.492,1080 7.995,1081 8.853,1082 5.469,1083 15.908,1084 7.943,1085 11.3,1086 -0.414,1087 14.561,1088 -0.626,1089 9.014,1090 9.897,1091 6.092,1092 18.445,1093 8.98,1094 12.735,1095 -0.924,1096 16.507,1097 -1.046,1098 10.289,1099 11.333,1100 7.032,1101 21.09,1102 10.253,1103 3.503,1104 -1,1105 18.476,1106 -2,1107 11.442,1108 12.519,1109 7.767,1110 23.696,1111 11.421,1112 2.734,1113 13.9,1114 20.46,1115 -2.097,1116 12.683,1117 13.884,1118 8.649,1119 26.329,1120 12.666,1121 2.642,1122 8.097,1123 22.457,1124 3.78,1125 13.89,1126 15.135,1127 9.44,1128 28.954,1129 13.884,1130 2.037,1131 7.865,1132 24.462,1133 3.613,1134 15.128,1135 16.47,1136 10.299,1137 31.586,1138 15.127,1139 1.593,1140 5.853,1141 26.474,1142 2.994,1143 16.358,1144 17.752,1145 11.117,1146 34.216,1147 16.365,1148 1.433,1149 4.082,1150 28.491,1151 2.44,1152 17.6,1153 19.075,1154 11.967,1155 36.848,1156 17.612,1157 1.189,1158 3.132,1159 30.511,1160 1.927,1161 18.84,1162 20.373,1163 12.8,1164 39.479,1165 18.858,1166 4972,1167 8179,1168 15.197,1169 29.762,1170 35.515,1171 36.053,1172 38.119,1173 35.175,1174 35.15,1175 40.97,1176 8.794,1177 101.211,1178 34.548,1179 5.537,1180 5.98,1181 7.39,1182 5.558,1183 5.503,1184 6.393,1185 3.925,1186 21.295,1187 5.48,1188 13.383,1189 1.48,1190 1.502,1191 1.588,1192 1.466,1193 1.465,1194 1.707,1195 0.366,1196 4.217,1197 1.439,1198 3.998,1199 4.051,1200 3.927,1201 3.875,1202 7.474,1203 3.873,1204 3.873,1205 3.943,1206 3.802,1207 3.627,1208 7.428,1209 3.667,1210 3.706,1211 3.758,1212 3.579,1213 3.568,1214 6.351,1215 3.558,1216 3.407,1217 3.48,1218 3.256,1219 3.21,1220 5.094,1221 3.203,1222 3.376,1223 3.439,1224 3.216,1225 3.161,1226 4.286,1227 3.158,1228 3.199,1229 3.25,1230 3.044,1231 2.95,1232 4.113,1233 2.974,1234 2.938,1235 2.981,1236 2.777,1237 2.671,1238 4.035,1239 2.635,1240 2.869,1241 2.979,1242 2.583,1243 2.573,1244 3.793,1245 2.628,1246 0.19,1247 0.168,1248 0.318,1249 0.188,1250 0.146,1251 4.568,1252 0.158,1253 4.026,1254 0.098,1255 7.627,1256 0.579,1257 4.506,1258 0.146,1259 3.503,1260 3.78,1261 2.341,1262 13.9,1263 3.51,1264 1.843,1265 1.806,1266 2.029,1267 1.99,1268 1.424,1269 2,1270 1.642,1271 1.584,1272 1.872,1273 1.877,1274 1.211,1275 1.873,1276 1.597,1277 1.523,1278 1.86,1279 1.806,1280 1.181,1281 1.82,1282 1.577,1283 1.507,1284 1.853,1285 1.751,1286 1.034,1287 1.793,1288 1.348,1289 1.284,1290 1.582,1291 1.61,1292 0.807,1293 1.596,1294 1.27,1295 1.214,1296 1.493,1297 1.518,1298 0.551,1299 1.511,1300 0.944,1301 0.837,1302 1.211,1303 1.324,1304 0.411,1305 1.303,1306 0.772,1307 0.727,1308 1.179,1309 1.172,1310 0.183,1311 1.149,1312 3.892,1314 5.198,1315 3.045,1316 6.691,1317 5.283,1318 8.273,1319 7.273,1320 9.908,1322 3.918,1327 9.429,1328 5.926,1329 2.839,1332 -0.463,1334 -0.589,1340 28.025,1341 76.154,1342 147.427,1343 200.308,1344 237.611,1345 237.611,1346 237.611,1347 69.891,1348 6.209,1349 97.11,1350 97.11,1351 10,1352 12.269,1353 3,1354 2.459,1355 44.988,1356 71,1357 87,1358 0.304,1359 176.917,1360 309.55,1361 423.439,1362 2918,1364 16.872,1365 0.734,1366 0.605,1367 16.872,1368 13.917,1369 11.003,1370 0.458,1371 0.352,1372 8.336,1373 10.498,1374 8.127,1375 6.798,1376 11.003,1377 8.449,1378 9.656,1379 0.293,1380 0.195,1381 9.656,1382 6.429,1383 7.83,1384 0.186,1385 0.114,1386 7.83,1387 4.77,1388 6.055,1389 0.119,1390 0.068,1391 6.055,1392 3.468,1393 4.258,1394 0.079,1395 0.038,1396 4.258,1397 2.074,1398 0.464,1399 69.68,1400 0.257,1401 22.326,1402 0.871,1403 114,1404 348.889,1405 128.33,1406 330.517,1407 434.45,1408 304,1409 132,1410 314.016,1411 146.252,1412 310.797,1413 447.17,1414 291,1415 5.523}
{0 CHEMBL2093013,1 1.436,2 9.81,3 3.961,4 15.693,5 83.341,6 6.661,7 0.273,8 3.821,9 3.951,10 3.284,11 3.322,12 4.873,13 3.283,14 4.381,15 4.584,16 3.6,17 3.691,18 5.38,19 3.619,20 4.608,21 4.835,22 3.634,23 3.812,24 5.544,25 3.713,26 4.683,27 4.922,28 3.554,29 3.778,30 5.664,31 3.675,32 4.585,33 4.826,34 3.484,35 3.692,36 5.606,37 3.582,38 4.462,39 4.696,40 3.321,41 3.587,42 5.478,43 3.477,44 4.307,45 4.54,46 3.251,47 3.494,48 5.336,49 3.37,50 4.255,51 4.502,52 3.041,53 3.39,54 5.234,55 3.25,56 0.03,57 0.595,58 9.868,59 4.004,60 8.678,61 5.594,62 0.342,63 0.943,64 18.332,65 6.358,66 27.466,67 9.322,68 0.161,69 1.106,70 22.975,71 8.234,72 27.416,73 11.882,74 0.344,75 1.102,76 25.658,77 8.218,78 49.085,79 11.726,80 0.296,81 0.995,82 23.059,83 7.841,84 42.341,85 11.123,86 0.297,87 0.871,88 20.513,89 6.894,90 43.225,91 9.607,92 0.206,93 0.8,94 17.065,95 6.289,96 30.19,97 8.945,98 0.185,99 0.744,100 16.358,101 5.544,102 35.722,103 8.102,104 31,105 29,106 0.254,107 0.619,108 0.845,109 0.881,110 0.881,111 0.881,112 3.102,113 1.006,114 -4.01,115 -3.96,116 -3.75,121 39.5,122 1,123 3,126 1,127 2,129 1,142 1,143 1,144 3,145 2,146 1,161 1,176 8,179 3,180 3,185 3,187 8,192 3,197 4,200 6,206 7,211 1,214 3,219 8,222 1,224 1,227 5,232 2,239 6,244 5,247 2,251 6,256 1,264 4,269 2,274 1,277 3,281 572,282 14.223,283 14.223,284 14.223,285 14.223,286 14.223,287 13.187,288 20.096,289 8.724,290 14.506,291 10.78,292 10.78,293 10.78,294 10.78,295 10.78,296 9.037,297 24.298,298 4.009,299 11.222,300 3.991,301 1.93,302 0.657,303 0.454,304 0.454,305 0.454,306 3.762,310 1,311 1,312 1,313 417,314 3.742,317 50.138,318 55.999,321 88.725,325 1.456,326 18.256,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 45,338 206,339 4.382,340 3.775,341 6.547,342 4.083,343 3.096,344 3.981,345 2.208,346 10.365,347 3.058,348 3.944,349 3.357,350 5.918,351 3.672,352 2.745,353 3.162,354 0.911,355 8.18,356 2.526,357 3.555,358 2.65,359 5.274,360 3.231,361 2.282,362 2.778,363 0.655,364 6.63,365 2.16,366 3.481,367 2.491,368 5.093,369 2.939,370 1.974,371 2.329,372 0.44,373 5.913,374 1.902,375 3.141,376 2.179,377 4.174,378 2.44,379 1.458,380 2.006,381 0.13,382 3.608,383 1.428,384 2.64,385 2.126,386 3.932,387 2.413,388 1.43,389 1.601,391 3.203,392 1.391,393 2.572,394 1.375,395 3.453,396 2.192,397 1.197,398 1.512,400 2.568,401 1.189,402 2.025,403 1.034,404 3.206,405 1.778,406 0.809,407 0.915,409 1.665,410 0.779,411 1.846,412 0.985,413 2.94,414 1.677,415 0.693,416 0.774,418 1.243,419 0.677,420 1.694,421 0.659,422 2.453,423 1.165,424 0.201,425 0.268,427 0.342,428 0.193,429 1.141,430 0.411,431 2.43,432 0.743,433 -0.221,434 -0.279,436 -0.512,437 -0.21,438 0.618,439 -0.26,440 2.131,441 0.37,442 -0.591,443 -0.598,445 -0.907,446 -0.564,447 0.581,448 -0.384,449 2,450 0.205,451 -0.775,452 -1.004,454 -1.675,455 -0.752,456 0.421,457 -0.52,458 1.715,459 0.141,460 -0.858,461 -1.16,463 -2.402,464 -0.855,465 0.162,466 -0.777,467 1.456,468 -0.148,469 -1.137,470 -1.444,472 -2.708,473 -1.118,474 9.967,475 0.475,476 0.435,477 0.021,478 23,479 1.095,480 10,481 0.476,482 13,483 0.619,484 17.676,485 0.842,486 23.633,487 0.55,488 16.008,489 0.762,490 4.487,491 0.214,492 5.665,493 0.27,494 0.184,496 0.291,501 0.803,502 1.446,503 0.901,504 1.235,505 0.63,506 1.099,507 0.682,508 0.994,509 0.922,510 0.947,511 0.457,512 0.949,513 0.96,514 1.207,515 0.957,516 1.144,517 0.694,518 1.061,519 1.667,520 0.936,521 1.126,522 0.919,523 1.472,524 0.947,525 1.322,526 0.995,527 1.017,528 1.005,529 1.347,530 0.982,531 1.739,532 0.864,533 1.129,534 0.856,535 1.63,536 0.917,537 0.854,538 1.094,539 1.014,540 1.141,541 1.11,542 1.113,543 1.223,544 1.061,545 1.175,546 1.058,547 1.532,548 1.1,549 4,550 0.053,551 2.444,552 1.354,553 0.973,554 0.479,555 0.426,556 0.333,557 0.19,558 0.1,559 4009,560 9671,561 1.968,562 51.2,563 5,564 11,565 1,567 1,569 4,572 1.632,573 1.826,574 3.273,575 -0.338,577 1,582 61.735,583 1.436,584 3.496,585 4.769,586 4.973,587 4.973,588 4.973,589 2.72,590 3.916,591 4.357,592 3.377,593 709.099,594 7.47,595 7626.66,597 1,599 1,600 233.329,601 1.461,602 4.311,603 0.182,604 0.007,605 0.084,606 0.047,607 0.037,608 0.02,609 0.02,610 0.018,611 0.013,612 0.01,613 0.437,614 0.67,615 1,616 2.052,617 95.617,618 -0.007,619 -0.203,620 0.047,621 -0.097,622 -0.013,623 -0.03,624 0.3,625 0.145,626 0.062,627 0.065,628 0.166,629 0.041,630 -0.01,631 -0.177,632 0.015,633 -0.134,634 0.038,635 -0.066,636 -0.215,637 0.035,638 -0.093,639 0.03,640 -0.156,641 -0.008,642 -0.029,643 -0.04,644 -0.006,645 -0.033,646 -0.058,647 -0.02,648 -0.254,649 0.08,650 -0.099,651 0.116,652 -0.245,653 0.037,654 0.104,655 -0.089,656 -0.045,657 -0.133,658 -0.014,659 -0.119,660 -0.171,661 -0.063,662 -0.191,663 -0.089,664 -0.142,665 -0.135,666 1.983,667 4.918,668 0.429,669 18.009,670 0.993,671 1.129,672 2.781,673 7.735,674 0.64,675 3.135,676 3.401,677 3.638,678 3.85,679 4.007,680 4.06,681 4.19,682 4.277,683 4.127,684 4.06,685 5.612,686 0.599,687 286.41,688 3.135,689 4.635,690 5.46,691 6.315,692 7.169,693 8.037,694 8.904,695 9.777,696 10.651,697 11.529,698 4.7,700 1,705 1,715 3,720 3,722 6,737 1,741 43,743 8,744 1,745 22,747 44,748 17,749 6,750 3,751 3,756 2,757 3,763 1,767 3,770 4,771 2,772 7,773 8,777 1,782 1,786 1,790 1,793 22,794 4,795 1,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,836 1,837 1,853 1,859 1,864 2,868 21,876 5,877 1,878 1,880 1,881 1,885 1,886 1,891 1,893 4.7,896 1,898 1,901 11.5,902 8.2,903 4.917,904 2.774,907 1.47,908 1.227,909 0.926,910 5.522,911 7.938,912 3.367,913 3.795,914 4.238,915 4.695,916 5.162,917 5.345,918 5.649,919 5.893,920 5.759,921 5.823,922 0.857,923 29,924 7.763,926 3.135,927 0.026,929 7.738,931 14.967,933 11.855,936 2.238,937 47,938 0.001,941 247.193,942 116.194,943 21.135,945 36.145,948 116.194,949 283.338,950 21.135,951 17.222,952 14.939,953 46.439,954 25.145,955 22.614,956 58.885,957 235.422,959 247.193,960 137.329,961 36.145,964 200.109,965 83.229,968 41.775,969 78.523,970 17.031,972 247.193,973 57.28,974 116.194,977 247.193,978 30.192,979 48.775,980 35.041,981 59.466,982 247.193,983 57.28,984 116.194,986 0.557,987 0.325,988 0.171,989 0.093,990 12,991 6,992 0.136,993 6,994 1,995 1.222,996 3.313,997 149.345,998 0.222,999 9,1000 92.239,1005 15.721,1006 7.376,1007 3.92,1009 57.28,1010 5.851,1015 3.08,1017 18.011,1018 420.667,1019 28,1024 11.918,1028 -0.317,1031 42.694,1032 48.567,1034 0.265,1035 0.644,1036 0.879,1037 0.916,1038 0.916,1039 0.916,1040 4.6,1041 0.809,1042 5.425,1043 2.568,1044 4.078,1045 4.477,1046 2.503,1047 6.205,1048 4.001,1049 5.766,1050 0.693,1051 6.967,1052 1.665,1053 3.611,1054 4.182,1055 1.847,1056 7.066,1057 3.489,1058 7.046,1059 0.201,1060 8.613,1061 1.243,1062 5.631,1063 6.49,1064 3.569,1065 10.152,1066 5.479,1067 8.359,1068 -0.221,1069 10.32,1070 0.342,1071 6.019,1072 7.04,1073 3.656,1074 11.86,1075 5.835,1076 9.703,1077 -0.591,1078 12.065,1079 -0.512,1080 7.488,1081 8.836,1082 4.964,1083 14.45,1084 7.282,1085 11.069,1086 -0.775,1087 13.837,1088 -0.907,1089 8.267,1090 9.78,1091 5.37,1092 16.511,1093 8.044,1094 12.452,1095 -0.858,1096 15.627,1097 -1.675,1098 9.517,1099 11.367,1100 6.459,1101 18.931,1102 9.276,1103 3.096,1104 -1.137,1105 17.432,1106 -2.402,1107 10.476,1108 12.51,1109 7.028,1110 21.147,1111 10.228,1112 2.745,1113 10.365,1114 19.248,1115 -2.708,1116 11.638,1117 13.998,1118 7.994,1119 23.507,1120 11.379,1121 2.282,1122 8.18,1123 21.073,1124 3.981,1125 12.681,1126 15.246,1127 8.654,1128 25.79,1129 12.416,1130 1.974,1131 6.63,1132 22.905,1133 3.162,1134 13.81,1135 16.686,1136 9.549,1137 28.131,1138 13.538,1139 1.458,1140 5.913,1141 24.744,1142 2.778,1143 14.892,1144 17.991,1145 10.263,1146 30.443,1147 14.615,1148 1.43,1149 3.608,1150 26.587,1151 2.329,1152 16.011,1153 19.405,1154 11.116,1155 32.779,1156 15.728,1157 1.197,1158 3.203,1159 28.435,1160 2.006,1161 17.111,1162 20.743,1163 11.862,1164 35.104,1165 16.824,1166 4181,1167 6579,1168 14.216,1169 27.534,1170 33.107,1171 33.124,1172 33.617,1173 31.818,1174 31.771,1175 38.654,1176 8.689,1177 87.434,1178 30.608,1179 5.277,1180 5.775,1181 6.409,1182 5.159,1183 5.096,1184 6.981,1185 3.912,1186 17.023,1187 5.058,1188 11.567,1189 1.505,1190 1.506,1191 1.528,1192 1.446,1193 1.444,1194 1.757,1195 0.395,1196 3.974,1197 1.391,1198 4.032,1199 4.061,1200 3.972,1201 3.963,1202 7.433,1203 3.96,1204 3.724,1205 3.79,1206 3.621,1207 3.515,1208 5.432,1209 3.522,1210 3.576,1211 3.632,1212 3.467,1213 3.441,1214 4.811,1215 3.44,1216 3.426,1217 3.477,1218 3.296,1219 3.29,1220 4.338,1221 3.284,1222 3.318,1223 3.394,1224 3.153,1225 3.101,1226 4.202,1227 3.108,1228 3.021,1229 3.081,1230 2.874,1231 2.867,1232 4.008,1233 2.859,1234 2.922,1235 2.974,1236 2.737,1237 2.621,1238 3.873,1239 2.647,1240 2.746,1241 2.868,1242 2.557,1243 2.533,1244 3.644,1245 2.527,1246 0.199,1247 0.172,1248 0.298,1249 0.186,1250 0.141,1251 4.382,1252 0.181,1253 3.775,1254 0.1,1255 6.547,1256 0.471,1257 4.083,1258 0.139,1259 3.096,1260 3.981,1261 2.208,1262 10.365,1263 3.058,1264 1.894,1265 1.876,1266 1.987,1267 1.99,1268 1.188,1269 1.987,1270 1.669,1271 1.598,1272 1.934,1273 1.89,1274 1.182,1275 1.904,1276 1.636,1277 1.575,1278 1.855,1279 1.821,1280 1.171,1281 1.837,1282 1.431,1283 1.381,1284 1.657,1285 1.614,1286 0.731,1287 1.63,1288 1.323,1289 1.251,1290 1.641,1291 1.567,1292 0.713,1293 1.598,1294 1.064,1295 1.016,1296 1.294,1297 1.284,1298 0.442,1299 1.277,1300 0.852,1301 0.793,1302 1.275,1303 1.145,1304 0.423,1305 1.19,1306 0.798,1307 0.692,1308 1.092,1309 1.082,1310 0.162,1311 1.092,1312 3.807,1314 5.081,1315 2.398,1316 6.55,1317 4.727,1318 8.113,1319 6.823,1320 9.731,1322 3.775,1328 4.211,1329 3.324,1330 5.426,1332 0.253,1333 1.585,1337 5.297,1339 2.598,1340 25.74,1341 61.735,1342 150.333,1343 205.065,1344 213.82,1345 213.82,1346 213.82,1347 37.752,1348 6.468,1349 41.57,1350 41.57,1351 11,1352 12.067,1353 3.17,1354 2.807,1355 39.308,1356 70,1357 74,1358 0.283,1359 163.07,1360 290.78,1361 389.651,1362 4626,1364 15.242,1365 0.726,1366 0.604,1367 15.242,1368 12.686,1369 10.151,1370 0.461,1371 0.335,1372 7.283,1373 9.789,1374 7.046,1375 5.926,1376 10.151,1377 7.379,1378 8.562,1379 0.295,1380 0.184,1381 8.562,1382 5.326,1383 7.019,1384 0.19,1385 0.101,1386 7.019,1387 3.721,1388 5.474,1389 0.119,1390 0.057,1391 5.474,1392 2.643,1393 4.174,1394 0.077,1395 0.029,1396 4.174,1397 1.574,1398 0.442,1399 63.416,1400 0.265,1401 20.939,1402 0.782,1403 102,1404 289.449,1405 112.555,1406 278.965,1407 375.23,1408 260,1409 117,1410 270.782,1411 127.143,1412 274.636,1413 398.06,1414 256,1415 4.967}
{0 CHEMBL2093014,1 1.461,2 9.1,3 3.438,4 11.818,5 78.817,6 6.809,7 0.286,8 3.756,9 3.883,10 3.24,11 3.257,12 4.832,13 3.224,14 4.307,15 4.507,16 3.563,17 3.623,18 5.337,19 3.561,20 4.521,21 4.739,22 3.593,23 3.747,24 5.493,25 3.659,26 4.599,27 4.822,28 3.49,29 3.712,30 5.632,31 3.61,32 4.522,33 4.777,34 3.381,35 3.6,36 5.515,37 3.489,38 4.264,39 4.476,40 3.26,41 3.501,42 5.295,43 3.397,44 4.267,45 4.506,46 3.167,47 3.419,48 5.306,49 3.288,50 4.168,51 4.43,52 2.914,53 3.246,54 5.147,55 3.106,56 0.023,57 0.557,58 8.992,59 3.668,60 8.323,61 5.072,62 0.332,63 0.88,64 16.851,65 5.783,66 26.75,67 8.428,68 0.151,69 1.024,70 20.899,71 7.519,72 25.75,73 10.7,74 0.305,75 1.017,76 23.435,77 7.776,78 49.974,79 10.804,80 0.335,81 0.917,82 21.951,83 7.22,84 44.936,85 10.25,86 0.171,87 0.773,88 16.241,89 5.976,90 27.51,91 8.29,92 0.202,93 0.758,94 16.421,95 5.965,96 31.254,97 8.489,98 0.191,99 0.665,100 15.195,101 4.899,102 36.214,103 7.206,104 30,105 28,106 0.263,107 0.643,108 0.858,109 0.879,110 0.879,111 0.879,112 3.057,113 0.983,114 -3.77,115 -3.73,116 -3.55,121 40,122 1,123 2,126 1,127 2,129 1,142 1,143 1,144 3,145 2,146 1,161 1,176 7,179 3,180 3,185 3,187 8,192 2,197 4,200 6,206 7,211 1,214 3,219 6,222 1,224 1,227 5,232 2,239 6,244 5,247 2,251 4,256 1,264 2,269 2,274 1,277 2,281 474,282 13.516,283 13.516,284 13.516,285 13.516,286 13.516,287 12.479,288 20.096,289 8.119,290 13.835,291 10.242,292 10.242,293 10.242,294 10.242,295 10.242,296 8.499,297 24.298,298 3.714,299 10.693,300 3.861,301 1.753,302 0.557,303 0.438,304 0.438,305 0.438,306 3.714,310 1,311 1,312 1,313 368,314 3.606,317 46.42,318 52.019,321 82.392,325 1.42,326 17.684,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 43,338 182,339 4.382,340 3.774,341 6.547,342 4.083,343 3.096,344 3.981,345 2.208,346 10.365,347 3.058,348 3.94,349 3.357,350 5.91,351 3.665,352 2.738,353 3.161,354 0.911,355 8.134,356 2.517,357 3.553,358 2.648,359 5.27,360 3.225,361 2.275,362 2.775,363 0.655,364 6.598,365 2.155,366 3.48,367 2.49,368 5.092,369 2.937,370 1.972,371 2.329,372 0.44,373 5.909,374 1.9,375 3.141,376 2.144,377 4.171,378 2.438,379 1.456,380 2.006,381 0.13,382 3.576,383 1.427,384 2.583,385 2.12,386 3.84,387 2.27,388 1.3,389 1.532,391 2.912,392 1.248,393 2.519,394 1.375,395 3.451,396 2.16,397 1.169,398 1.446,400 2.551,401 1.15,402 2.02,403 0.996,404 3.199,405 1.728,406 0.741,407 0.887,409 1.629,410 0.729,411 1.699,412 0.679,413 2.74,414 1.186,415 0.231,416 0.288,418 0.379,419 0.219,420 1.202,421 0.44,422 2.437,423 1.11,424 0.143,425 0.156,427 0.201,428 0.137,429 1.138,430 0.351,431 2.26,432 0.733,433 -0.24,434 -0.305,436 -0.546,437 -0.229,438 0.617,439 -0.278,440 2,441 0.205,442 -0.775,443 -1.004,445 -1.675,446 -0.752,447 0.577,448 -0.52,449 1.929,450 0.141,451 -0.858,452 -1.16,454 -2.401,455 -0.855,456 0.163,457 -0.775,458 1.59,459 -0.148,460 -1.137,461 -1.36,463 -2.708,464 -1.118,465 -0.187,466 -0.896,467 1.289,468 -0.368,469 -1.305,470 -1.471,472 -2.836,473 -1.223,474 9.467,475 0.473,476 0.435,477 0.022,478 22.5,479 1.125,480 10,481 0.5,482 12.5,483 0.625,484 16.013,485 0.801,486 22.333,487 0.558,488 15.585,489 0.779,490 4.508,491 0.225,492 5.143,493 0.257,494 0.194,496 0.306,501 0.803,502 1.442,503 0.875,504 1.22,505 0.633,506 1.076,507 0.686,508 0.961,509 0.895,510 0.906,511 0.459,512 0.91,513 0.999,514 1.172,515 0.974,516 1.133,517 0.711,518 1.058,519 1.637,520 1.039,521 1.182,522 1.037,523 1.491,524 1.052,525 1.364,526 0.824,527 0.97,528 0.822,529 1.389,530 0.846,531 1.249,532 1.062,533 1.111,534 1.067,535 1.137,536 1.077,537 0.837,538 1.1,539 1.024,540 1.158,541 1.103,542 1.132,543 1.244,544 0.973,545 1.114,546 0.955,547 1.547,548 1.004,549 4,550 0.033,551 2.444,552 1.229,553 0.893,554 0.479,555 0.426,556 0.333,557 0.177,558 0.085,559 3442,560 8788,561 1.966,562 50,563 2,564 11,565 1,567 1,569 5,572 1.618,573 1.818,574 3.179,575 -0.32,577 1,579 1,582 58.439,583 1.461,584 3.569,585 4.765,586 4.884,587 4.884,588 4.884,589 2.709,590 3.846,591 4.287,592 3.286,593 624.28,594 7.331,595 6429.6,596 1,597 1,598 1,599 1,600 212.877,601 1.485,602 4.237,603 0.19,604 0.007,605 0.087,606 0.044,607 0.037,608 0.022,609 0.021,610 0.02,611 0.014,612 0.011,613 0.452,614 0.67,615 1,616 1.893,617 89.008,618 -0.014,619 -0.214,620 0.048,621 -0.103,622 -0.024,623 -0.032,624 0.297,625 0.176,626 0.078,627 0.093,628 0.165,629 0.065,630 -0.038,631 -0.137,632 -0.009,633 -0.126,634 0.028,635 -0.069,636 -0.219,637 -0.079,638 -0.161,639 -0.07,640 -0.161,641 -0.104,642 -0.07,643 0.096,644 0.047,645 0.128,646 -0.104,647 0.105,648 -0.16,649 -0.055,650 -0.138,651 -0.047,652 -0.167,653 -0.086,654 0.102,655 -0.121,656 -0.06,657 -0.167,658 -0.03,659 -0.148,660 -0.165,661 -0.013,662 -0.121,663 -0.018,664 -0.127,665 -0.056,666 2.001,667 4.759,668 0.45,669 16.34,670 0.995,671 1.129,672 2.538,673 6.441,674 0.644,675 3.091,676 3.367,677 3.611,678 3.807,679 3.97,680 4.043,681 4.159,682 4.248,683 4.078,684 3.951,685 5.311,686 0.605,687 272.38,688 3.091,689 4.595,690 5.425,691 6.282,692 7.14,693 8.009,694 8.878,695 9.753,696 10.628,697 11.506,698 5,700 1,705 1,715 3,720 3,722 6,737 1,741 40,743 8,744 1,745 21,747 41,748 16,749 6,750 3,751 3,756 2,757 3,763 1,767 3,770 3,771 2,772 7,773 7,777 1,782 1,786 1,789 1,790 1,793 20,794 4,795 1,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,836 1,837 1,853 1,859 1,864 2,868 20,876 4,877 1,878 1,880 1,881 1,885 1,886 1,891 1,893 5,896 1,898 1,901 11,902 7.7,903 4.667,904 2.524,907 1.482,908 1.232,909 0.928,910 4.917,911 7.865,912 3.332,913 3.773,914 4.223,915 4.676,916 5.144,917 5.341,918 5.638,919 5.88,920 5.731,921 5.758,922 1,923 28,924 7.38,926 2.987,927 0.026,929 7.775,931 14.15,933 11.188,936 2.275,937 45.5,938 0.001,941 223.651,942 113.66,943 21.135,945 36.145,948 113.66,949 259.796,950 21.135,951 17.222,952 12.405,953 46.439,954 25.145,955 22.614,956 58.885,957 211.88,959 223.651,960 134.795,961 36.145,964 164.795,965 95,968 39.241,969 78.523,970 17.031,972 223.651,973 57.28,974 113.66,977 223.651,978 27.658,979 48.775,980 35.041,981 59.466,982 223.651,983 57.28,984 113.66,986 0.563,987 0.333,988 0.165,989 0.088,990 12,991 6,992 0.122,993 5,994 1,995 1.222,996 3.202,997 140.574,998 0.222,999 9,1000 86.439,1005 14.741,1006 6.671,1007 3.472,1009 57.28,1010 5.823,1015 3.066,1017 18.011,1018 394.591,1019 27,1024 11.759,1028 -0.335,1031 39.811,1032 45.152,1034 0.275,1035 0.671,1036 0.895,1037 0.918,1038 0.918,1039 0.918,1040 4.57,1041 0.741,1042 5.398,1043 2.551,1044 4.043,1045 4.454,1046 2.503,1047 6.184,1048 3.964,1049 5.744,1050 0.231,1051 6.948,1052 1.629,1053 3.611,1054 4.182,1055 1.847,1056 7.066,1057 3.489,1058 7.029,1059 0.143,1060 8.6,1061 0.379,1062 5.609,1063 6.48,1064 3.569,1065 10.14,1066 5.456,1067 8.347,1068 -0.24,1069 10.31,1070 0.201,1071 6.019,1072 7.04,1073 3.656,1074 11.855,1075 5.835,1076 9.694,1077 -0.775,1078 12.057,1079 -0.546,1080 7.474,1081 8.832,1082 4.964,1083 14.44,1084 7.267,1085 11.062,1086 -0.858,1087 13.83,1088 -1.675,1089 8.263,1090 9.779,1091 5.37,1092 16.505,1093 8.041,1094 12.447,1095 -1.137,1096 15.622,1097 -2.401,1098 9.506,1099 11.365,1100 6.459,1101 18.924,1102 9.267,1103 3.096,1104 -1.305,1105 17.427,1106 -2.708,1107 10.471,1108 12.509,1109 7.028,1110 21.142,1111 10.224,1112 2.738,1113 10.365,1114 19.243,1115 -2.836,1116 11.63,1117 13.997,1118 7.994,1119 23.502,1120 11.372,1121 2.275,1122 8.134,1123 21.069,1124 3.981,1125 12.675,1126 15.246,1127 8.654,1128 25.786,1129 12.412,1130 1.972,1131 6.598,1132 22.901,1133 3.161,1134 13.803,1135 16.685,1136 9.549,1137 28.127,1138 13.533,1139 1.456,1140 5.909,1141 24.74,1142 2.775,1143 14.885,1144 17.991,1145 10.263,1146 30.44,1147 14.612,1148 1.3,1149 3.576,1150 26.583,1151 2.329,1152 16.004,1153 19.404,1154 11.116,1155 32.776,1156 15.725,1157 1.169,1158 2.912,1159 28.431,1160 2.006,1161 17.105,1162 20.742,1163 11.862,1164 35.102,1165 16.822,1166 3604,1167 5832,1168 13.523,1169 25.773,1170 31.489,1171 31.515,1172 32.439,1173 30.268,1174 30.24,1175 37.121,1176 8.689,1177 84.509,1178 29.079,1179 5.271,1180 5.774,1181 6.409,1182 5.153,1183 5.096,1184 6.981,1185 3.912,1186 17.023,1187 5.058,1188 11.16,1189 1.499,1190 1.501,1191 1.545,1192 1.441,1193 1.44,1194 1.768,1195 0.414,1196 4.024,1197 1.385,1198 4.032,1199 4.061,1200 3.971,1201 3.962,1202 7.433,1203 3.96,1204 3.693,1205 3.756,1206 3.602,1207 3.458,1208 5.432,1209 3.477,1210 3.567,1211 3.627,1212 3.459,1213 3.425,1214 4.811,1215 3.427,1216 3.395,1217 3.445,1218 3.266,1219 3.277,1220 4.339,1221 3.267,1222 3.193,1223 3.274,1224 3.018,1225 2.953,1226 4.19,1227 2.957,1228 3.014,1229 3.08,1230 2.85,1231 2.86,1232 3.992,1233 2.847,1234 2.92,1235 2.972,1236 2.694,1237 2.621,1238 3.74,1239 2.641,1240 2.732,1241 2.815,1242 2.557,1243 2.533,1244 3.643,1245 2.527,1246 0.209,1247 0.18,1248 0.312,1249 0.194,1250 0.147,1251 4.382,1252 0.19,1253 3.774,1254 0.105,1255 6.547,1256 0.494,1257 4.083,1258 0.146,1259 3.096,1260 3.981,1261 2.208,1262 10.365,1263 3.058,1264 1.894,1265 1.876,1266 1.987,1267 1.989,1268 1.187,1269 1.986,1270 1.636,1271 1.575,1272 1.872,1273 1.861,1274 1.174,1275 1.864,1276 1.604,1277 1.53,1278 1.855,1279 1.819,1280 1.038,1281 1.836,1282 1.43,1283 1.379,1284 1.652,1285 1.58,1286 0.728,1287 1.609,1288 1.193,1289 1.124,1290 1.568,1291 1.472,1292 0.623,1293 1.506,1294 1.06,1295 0.998,1296 1.282,1297 1.283,1298 0.442,1299 1.277,1300 0.842,1301 0.793,1302 1.102,1303 1.131,1304 0.164,1305 1.124,1306 0.728,1307 0.665,1308 1.037,1309 0.96,1310 0.132,1311 0.995,1312 3.761,1314 5.043,1315 2.398,1316 6.521,1317 4.727,1318 8.089,1319 6.823,1320 9.71,1322 3.622,1328 3.229,1329 3.315,1330 5.364,1332 0.253,1333 1.529,1337 5.284,1339 2.592,1340 24.214,1341 58.439,1342 142.764,1343 190.612,1344 195.367,1345 195.367,1346 195.367,1347 33.906,1348 6.384,1349 41.57,1350 41.57,1351 11,1352 12.044,1353 3.17,1354 2.807,1355 36.418,1356 64,1357 67,1358 0.294,1359 153.478,1360 273.48,1361 366.246,1362 4092,1364 14.535,1365 0.727,1366 0.599,1367 14.535,1368 11.979,1369 9.651,1370 0.46,1371 0.328,1372 6.783,1373 9.281,1374 6.559,1375 5.494,1376 9.651,1377 6.879,1378 8.181,1379 0.292,1380 0.176,1381 8.181,1382 4.919,1383 6.919,1384 0.192,1385 0.101,1386 6.919,1387 3.637,1388 5.136,1389 0.117,1390 0.053,1391 5.136,1392 2.346,1393 3.918,1394 0.075,1395 0.029,1396 3.918,1397 1.492,1398 0.454,1399 60.416,1400 0.272,1401 19.955,1402 0.819,1403 98,1404 285.449,1405 108.555,1406 274.678,1407 369.41,1408 256,1409 113,1410 266.782,1411 122.977,1412 270.179,1413 391.64,1414 252,1415 4.457}
{0 CHEMBL2093015,1 1.489,2 8.474,3 3.089,4 9.542,5 74.069,6 6.982,7 0.3,8 3.686,9 3.81,10 3.193,11 3.186,12 4.791,13 3.162,14 4.228,15 4.423,16 3.519,17 3.555,18 5.29,19 3.504,20 4.421,21 4.618,22 3.532,23 3.678,24 5.456,25 3.593,26 4.537,27 4.773,28 3.388,29 3.621,30 5.544,31 3.519,32 4.338,33 4.575,34 3.323,35 3.515,36 5.339,37 3.41,38 4.222,39 4.439,40 3.177,41 3.426,42 5.263,43 3.318,44 4.181,45 4.433,46 3.056,47 3.279,48 5.225,49 3.151,50 3.979,51 4.228,52 2.771,53 3.047,54 5.038,55 2.927,56 0.015,57 0.518,58 8.1,59 3.333,60 8.038,61 4.545,62 0.33,63 0.815,64 15.351,65 5.233,66 25.632,67 7.528,68 0.098,69 0.937,70 18.423,71 7.037,72 24.514,73 9.729,74 0.351,75 0.939,76 22.354,77 7.166,78 53.925,79 9.905,80 0.2,81 0.819,82 17.607,83 6.295,84 28.526,85 8.94,86 0.17,87 0.73,88 15.568,89 5.651,90 28.843,91 7.801,92 0.204,93 0.679,94 15.268,95 5.33,96 31.449,97 7.624,98 0.177,99 0.552,100 12.62,101 3.869,102 35.089,103 5.627,104 29,105 27,106 0.273,107 0.649,108 0.814,109 0.838,110 0.838,111 0.838,112 3.01,113 0.946,114 -3.52,115 -3.49,116 -3.34,121 40.5,123 2,126 2,127 1,129 1,142 1,143 1,144 3,145 2,146 1,161 1,176 7,179 3,180 2,185 3,187 8,192 2,197 4,200 6,206 5,211 1,214 3,219 6,222 1,224 1,227 5,232 2,239 4,244 5,247 2,251 2,256 1,264 1,269 2,281 423,282 12.646,283 12.646,284 12.646,285 12.646,286 12.646,287 11.609,288 18.515,289 7.619,290 12.929,291 9.821,292 9.821,293 9.821,294 9.821,295 9.821,296 8.071,297 22.53,298 3.565,299 10.249,300 3.721,301 1.665,302 0.764,303 0.635,304 0.635,305 0.635,306 3.665,310 1,311 1,312 1,313 325,314 3.464,317 42.814,318 48.202,321 76.279,325 1.391,326 16.951,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 41,338 161,339 4.382,340 3.763,341 6.547,342 4.083,343 3.096,344 3.98,345 2.208,346 10.364,347 3.058,348 3.916,349 3.357,350 5.808,351 3.624,352 2.697,353 3.146,354 0.911,355 7.845,356 2.478,357 3.542,358 2.642,359 5.24,360 3.201,361 2.249,362 2.754,363 0.655,364 6.417,365 2.137,366 3.473,367 2.485,368 5.083,369 2.931,370 1.965,371 2.328,372 0.44,373 5.882,374 1.894,375 3.139,376 2.13,377 4.164,378 2.438,379 1.456,380 2.006,381 0.13,382 3.554,383 1.427,384 2.578,385 1.977,386 3.543,387 2.212,388 1.228,389 1.523,391 2.623,392 1.206,393 2.323,394 1.375,395 3.439,396 2.005,397 1.048,398 1.227,400 2.374,401 0.986,402 2.016,403 0.995,404 3.186,405 1.716,406 0.728,407 0.874,409 1.604,410 0.717,411 1.697,412 0.665,413 2.543,414 1.165,415 0.201,416 0.269,418 0.344,419 0.193,420 1.141,421 0.412,422 2.435,423 0.741,424 -0.224,425 -0.285,427 -0.526,428 -0.213,429 0.618,430 -0.268,431 2.144,432 0.205,433 -0.775,434 -1,436 -1.675,437 -0.752,438 0.579,439 -0.519,440 2,441 0.141,442 -0.858,443 -1.004,445 -2,446 -0.855,447 0.164,448 -0.6,449 1.684,450 -0.1,451 -1,452 -1.16,454 -2.403,455 -0.9,457 -0.781,458 1.364,459 -0.148,460 -1.138,461 -1.459,463 -2.708,464 -1.118,465 -0.234,466 -0.929,467 1.151,468 -0.484,469 -1.453,470 -1.801,472 -3.889,473 -1.421,474 8.967,475 0.472,476 0.473,477 0.025,478 22,479 1.158,480 10,481 0.526,482 12,483 0.632,484 14.193,485 0.747,486 21.033,487 0.568,488 15.276,489 0.804,490 4.525,491 0.238,492 4.588,493 0.241,494 0.204,496 0.323,501 0.805,502 1.438,503 0.847,504 1.202,505 0.632,506 1.051,507 0.708,508 0.846,509 0.875,510 0.819,511 0.459,512 0.843,513 0.95,514 1.316,515 1.027,516 1.297,517 0.713,518 1.195,519 1.672,520 0.872,521 1.145,522 0.857,523 1.527,524 0.921,525 0.891,526 0.996,527 0.925,528 1.009,529 0.931,530 0.981,531 1.224,532 1.067,533 1.126,534 1.082,535 1.128,536 1.097,537 0.842,538 1.017,539 0.953,540 1.066,541 1.101,542 1.041,543 1.422,544 1.006,545 1.196,546 0.969,547 1.755,548 1.031,549 4,550 0.033,551 2.222,552 1.104,553 0.893,554 0.479,555 0.426,556 0.318,557 0.157,558 0.06,559 2959,560 8037,561 1.965,562 48.6,563 2,564 12,565 1,567 1,569 2,572 1.603,573 1.81,574 3.088,575 -0.301,577 1,579 1,582 55.088,583 1.489,584 3.544,585 4.446,586 4.574,587 4.574,588 4.574,589 2.505,590 4.037,591 4.213,592 3.203,593 547.749,594 7.183,595 5409.04,596 1,597 1,599 1,600 192.75,601 1.509,602 4.159,603 0.2,604 0.008,605 0.082,606 0.042,607 0.041,608 0.023,609 0.024,610 0.021,611 0.014,612 0.012,613 0.468,614 0.67,615 1,616 1.722,617 82.632,618 -0.022,619 -0.226,620 0.048,621 -0.11,622 -0.031,623 -0.034,624 0.278,625 0.291,626 0.086,627 0.166,628 0.165,629 0.116,630 -0.031,631 -0.289,632 -0.087,633 -0.268,634 0.033,635 -0.198,636 -0.262,637 0.055,638 -0.118,639 0.09,640 -0.207,641 0.017,642 0.041,643 -0.024,644 0.039,645 -0.021,646 -0.01,647 0.004,648 -0.161,649 -0.089,650 -0.159,651 -0.079,652 -0.184,653 -0.116,654 0.119,655 -0.077,656 0.024,657 -0.102,658 -0.011,659 -0.068,660 -0.225,661 -0.037,662 -0.188,663 -0.049,664 -0.166,665 -0.102,666 2.036,667 4.528,668 0.474,669 15.069,670 0.998,671 1.128,672 2.289,673 5.238,674 0.649,675 3.045,676 3.332,677 3.555,678 3.761,679 3.951,680 4.007,681 4.127,682 4.205,683 3.97,684 3.807,685 5.057,686 0.613,687 258.35,688 3.045,689 4.554,690 5.38,691 6.24,692 7.098,693 7.968,694 8.838,695 9.714,696 10.59,697 11.47,698 5.4,700 1,705 1,715 3,720 3,722 6,737 1,741 37,743 8,744 1,745 20,747 38,748 15,749 6,750 3,751 3,756 2,757 3,767 3,770 3,771 2,772 7,773 6,777 1,782 1,786 1,789 1,790 1,793 18,794 4,795 1,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,836 1,837 1,853 1,859 1,864 2,868 19,876 3,877 1,878 1,880 1,881 1,885 1,886 1,891 1,893 5.4,896 1,898 1,901 10.5,902 7.2,903 4.333,904 2.124,907 1.495,908 1.237,909 0.93,910 4.336,911 7.788,912 3.296,913 3.75,914 4.193,915 4.648,916 5.138,917 5.326,918 5.622,919 5.855,920 5.659,921 5.653,922 0.833,923 26,924 6.993,926 2.837,927 0.026,929 7.816,931 13.334,933 10.533,936 2.316,937 44,938 0.001,941 200.109,942 111.125,943 21.135,945 36.145,948 111.125,949 236.254,950 21.135,951 16.793,952 10.299,953 46.439,954 25.145,955 22.614,956 58.885,957 188.338,959 200.109,960 132.26,961 36.145,964 176.567,965 59.687,968 28.31,969 86.92,970 17.031,972 200.109,973 57.28,974 111.125,977 200.109,978 25.552,979 48.346,980 35.041,981 59.466,982 200.109,983 57.28,984 111.125,986 0.57,987 0.324,988 0.159,989 0.092,990 12,991 6,992 0.105,993 4,994 1,995 1.222,996 3.103,997 131.383,998 0.222,999 9,1000 78.711,1005 13.762,1006 5.987,1007 3.212,1009 57.28,1010 5.785,1015 3.047,1017 18.011,1018 368.514,1019 26,1024 11.528,1028 -0.369,1031 36.927,1032 41.737,1034 0.286,1035 0.68,1036 0.853,1037 0.878,1038 0.878,1039 0.878,1040 4.538,1041 0.728,1042 5.361,1043 2.374,1044 4.007,1045 4.431,1046 2.503,1047 6.146,1048 3.929,1049 5.721,1050 0.201,1051 6.911,1052 1.604,1053 3.611,1054 4.182,1055 1.847,1056 7.024,1057 3.489,1058 7.009,1059 -0.224,1060 8.562,1061 0.344,1062 5.572,1063 6.465,1064 3.569,1065 10.095,1066 5.423,1067 8.327,1068 -0.775,1069 10.271,1070 -0.526,1071 5.994,1072 7.031,1073 3.656,1074 11.809,1075 5.816,1076 9.675,1077 -0.858,1078 12.018,1079 -1.675,1080 7.438,1081 8.822,1082 4.964,1083 14.396,1084 7.24,1085 11.043,1086 -1,1087 13.789,1088 -2,1089 8.23,1090 9.771,1091 5.37,1092 16.465,1093 8.018,1094 12.428,1095 -1.138,1096 15.579,1097 -2.403,1098 9.47,1099 11.357,1100 6.459,1101 18.887,1102 9.244,1103 3.096,1104 -1.453,1105 17.384,1106 -2.708,1107 10.435,1108 12.502,1109 7.028,1110 21.11,1111 10.202,1112 2.697,1113 10.364,1114 19.199,1115 -3.889,1116 11.594,1117 13.992,1118 7.994,1119 23.474,1120 11.352,1121 2.249,1122 7.845,1123 21.024,1124 3.98,1125 12.64,1126 15.24,1127 8.654,1128 25.763,1129 12.394,1130 1.965,1131 6.417,1132 22.856,1133 3.146,1134 13.769,1135 16.681,1136 9.549,1137 28.107,1138 13.517,1139 1.456,1140 5.882,1141 24.695,1142 2.754,1143 14.852,1144 17.987,1145 10.263,1146 30.423,1147 14.597,1148 1.228,1149 3.554,1150 26.54,1151 2.328,1152 15.972,1153 19.401,1154 11.116,1155 32.762,1156 15.712,1157 1.048,1158 2.623,1159 28.389,1160 2.006,1161 17.075,1162 20.74,1163 11.862,1164 35.09,1165 16.81,1166 3108,1167 5188,1168 12.83,1169 24.012,1170 30.732,1171 30.717,1172 30.819,1173 29.383,1174 29.334,1175 36.217,1176 8.689,1177 82.016,1178 28.192,1179 5.269,1180 5.763,1181 6.409,1182 5.143,1183 5.096,1184 6.98,1185 3.912,1186 17.023,1187 5.058,1188 10.756,1189 1.537,1190 1.536,1191 1.541,1192 1.469,1193 1.467,1194 1.811,1195 0.434,1196 4.101,1197 1.41,1198 4.031,1199 4.06,1200 3.971,1201 3.962,1202 7.433,1203 3.96,1204 3.653,1205 3.709,1206 3.573,1207 3.447,1208 5.432,1209 3.455,1210 3.554,1211 3.618,1212 3.448,1213 3.356,1214 4.811,1215 3.38,1216 3.378,1217 3.433,1218 3.246,1219 3.251,1220 4.342,1221 3.243,1222 3.033,1223 3.084,1224 2.903,1225 2.87,1226 4.175,1227 2.866,1228 2.929,1229 3.009,1230 2.776,1231 2.622,1232 3.981,1233 2.663,1234 2.874,1235 2.965,1236 2.557,1237 2.618,1238 3.646,1239 2.57,1240 2.731,1241 2.813,1242 2.499,1243 2.532,1244 3.509,1245 2.527,1246 0.219,1247 0.188,1248 0.327,1249 0.204,1250 0.155,1251 4.382,1252 0.199,1253 3.763,1254 0.11,1255 6.547,1256 0.518,1257 4.083,1258 0.153,1259 3.096,1260 3.98,1261 2.208,1262 10.364,1263 3.058,1264 1.894,1265 1.875,1266 1.986,1267 1.987,1268 1.187,1269 1.984,1270 1.636,1271 1.575,1272 1.855,1273 1.83,1274 1.174,1275 1.838,1276 1.517,1277 1.445,1278 1.783,1279 1.804,1280 0.835,1281 1.802,1282 1.428,1283 1.376,1284 1.652,1285 1.577,1286 0.728,1287 1.607,1288 1.069,1289 1.029,1290 1.417,1291 1.29,1292 0.469,1293 1.308,1294 0.934,1295 0.804,1296 1.281,1297 1.239,1298 0.442,1299 1.275,1300 0.835,1301 0.791,1302 1.092,1303 1.121,1304 0.161,1305 1.104,1306 0.715,1307 0.656,1308 1.026,1309 0.957,1311 0.99,1312 3.714,1314 5.004,1315 2.398,1316 6.482,1317 4.727,1318 8.05,1319 6.823,1320 9.671,1322 3.319,1328 2.605,1329 3.304,1330 5.273,1332 0.254,1333 1.404,1337 5.268,1339 2.584,1340 22.687,1341 55.088,1342 131.134,1343 164.485,1344 169.24,1345 169.24,1346 169.24,1347 30.215,1348 6.293,1349 41.57,1350 41.57,1351 11,1352 12.007,1353 3.17,1354 2.807,1355 33.64,1356 57,1357 62,1358 0.303,1359 143.885,1360 256.18,1361 342.841,1362 3609,1364 13.828,1365 0.728,1366 0.593,1367 13.828,1368 11.272,1369 9.113,1370 0.456,1371 0.315,1372 6.203,1373 8.744,1374 5.975,1375 5.018,1376 9.113,1377 6.303,1378 8.04,1379 0.298,1380 0.178,1381 8.04,1382 4.799,1383 6.442,1384 0.189,1385 0.095,1386 6.442,1387 3.216,1388 4.774,1389 0.114,1390 0.053,1391 4.774,1392 2.23,1393 3.878,1394 0.076,1395 0.029,1396 3.878,1397 1.475,1398 0.465,1399 57.272,1400 0.279,1401 19.001,1402 0.852,1403 94,1404 281.449,1405 104.222,1406 271.245,1407 362.33,1408 252,1409 108,1410 259.43,1411 117.81,1412 264.936,1413 381.38,1414 245,1415 5.648}
{0 CHEMBL2093017,1 1.355,2 11.48,3 5.622,4 31.61,5 101.97,6 6.228,7 0.231,8 4.046,9 4.184,10 3.451,11 3.542,12 5.03,13 3.484,14 4.634,15 4.853,16 3.761,17 3.922,18 5.533,19 3.828,20 4.917,21 5.158,22 3.827,23 4.118,24 5.744,25 3.988,26 5.073,27 5.344,28 3.784,29 4.129,30 5.937,31 3.975,32 5.011,33 5.288,34 3.726,35 4.035,36 5.936,37 3.896,38 4.798,39 5.032,40 3.635,41 3.943,42 5.786,43 3.81,44 4.76,45 5.022,46 3.495,47 3.883,48 5.633,49 3.732,50 4.615,51 4.855,52 3.405,53 3.797,54 5.52,55 3.637,56 0.051,57 0.75,58 13.262,59 5.308,60 10.331,61 7.622,62 0.396,63 1.205,64 24.243,65 8.337,66 29.392,67 12.55,68 0.243,69 1.502,70 31.566,71 11.371,72 29.949,73 16.773,74 0.366,75 1.584,76 36.949,77 12.721,78 49.543,79 18.653,80 0.421,81 1.443,82 34.974,83 11.494,84 59.878,85 16.833,86 0.344,87 1.244,88 28.356,89 10.076,90 48.974,91 14.376,92 0.298,93 1.178,94 26.946,95 9.656,96 42.759,97 13.921,98 0.275,99 1.067,100 23.246,101 8.846,102 34.363,103 12.607,104 31,105 34,106 0.228,107 0.52,108 0.744,109 0.831,110 0.848,111 0.848,112 3.266,113 1.059,114 -4.54,115 -4.46,116 -4.2,121 38.2,122 1,123 6,126 2,127 1,129 2,142 1,143 1,144 4,145 1,146 1,161 1,176 10,179 3,180 7,187 11,192 6,200 6,206 13,214 5,219 9,227 4,231 1,232 8,239 8,251 11,255 2,256 3,264 12,269 1,277 7,281 965,282 16.629,283 16.629,284 16.629,285 16.629,286 16.629,287 15.568,288 20.813,289 10.117,290 16.962,291 12.768,292 12.768,293 12.768,294 12.768,295 12.768,296 11.103,297 25.836,298 4.724,299 13.281,300 4.426,301 2.686,302 1.35,303 0.832,304 0.732,305 0.732,306 3.927,312 1,313 584,314 4.183,318 190.328,325 1.821,326 18.828,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 53,338 287,339 4.15,340 3.801,341 6.339,342 3.893,343 2.954,344 3.693,345 2.208,346 9.432,347 2.771,348 3.984,349 3.127,350 5.932,351 3.762,352 2.799,353 3.162,354 1.053,355 8.308,356 2.7,357 3.738,358 2.864,359 5.58,360 3.52,361 2.573,362 2.78,363 0.655,364 7.529,365 2.429,366 3.454,367 2.683,368 5.15,369 3.155,370 2.185,371 2.527,372 0.249,373 6.23,374 2.101,375 3.324,376 2.385,377 4.825,378 2.877,379 1.903,380 2.255,381 0.13,382 5.238,383 1.843,384 3.144,385 2.055,386 3.94,387 2.441,388 1.46,389 1.887,391 3.285,392 1.426,393 2.677,394 1.73,395 3.764,396 2.365,397 1.376,398 1.729,400 3.098,401 1.356,402 2.513,403 1.314,404 3.487,405 2.17,406 1.175,407 1.488,409 2.579,410 1.167,411 2.175,412 1.041,413 3.257,414 2,415 1,416 1,418 2.136,419 1,420 2,421 1.038,422 3.247,423 1.719,424 0.749,425 0.959,427 1.553,428 0.725,429 1.759,430 1,431 2.918,432 1.599,433 0.642,434 0.687,436 1.258,437 0.606,438 1.188,439 0.653,440 2.546,441 0.788,442 -0.2,443 -0.246,445 -0.48,446 -0.195,447 1.027,448 0.003,449 2.325,450 0.711,451 -0.264,452 -0.323,454 -0.684,455 -0.255,456 0.839,457 -0.303,458 1.915,459 0.365,460 -0.593,461 -0.753,463 -0.919,464 -0.565,465 0.483,466 -0.371,467 1.753,468 0.225,469 -0.75,470 -0.826,472 -1.609,473 -0.727,474 11.967,475 0.479,476 0.579,477 0.023,478 25.25,479 1.01,480 10,481 0.4,482 15.25,483 0.61,484 25.205,485 1.008,486 28.833,487 0.524,488 18.326,489 0.733,490 4.692,491 0.188,492 7.315,493 0.293,494 0.195,496 0.276,501 0.78,502 1.553,503 0.975,504 1.33,505 0.623,506 1.194,507 0.755,508 1.061,509 0.988,510 0.996,511 0.432,512 0.999,513 1.002,514 1.172,515 1.065,516 1.152,517 0.663,518 1.113,519 1.304,520 1.027,521 1.012,522 1.011,523 1.172,524 0.987,525 1.624,526 0.834,527 0.976,528 0.814,529 1.663,530 0.827,531 1.51,532 1.082,533 1.152,534 1.096,535 1.728,536 1.097,537 1.416,538 0.882,539 1.068,540 0.911,541 1.342,542 0.952,543 1.03,544 1.09,545 1.152,546 1.168,547 0.955,548 1.183,549 5,550 0.12,551 2.667,552 1.813,553 1.133,554 0.694,555 0.468,556 0.262,557 0.213,558 0.157,559 6930,560 14456,561 1.95,562 54.5,563 6,564 14,565 1,569 9,572 1.678,573 1.807,574 3.506,575 -0.83,582 74.529,583 1.355,584 3.096,585 4.432,586 4.949,587 5.049,588 5.049,589 2.953,590 4.294,591 4.614,592 3.635,593 1090.64,594 7.971,595 13710.6,600 317.975,601 1.469,602 4.56,603 0.192,604 0.008,605 0.078,606 0.052,607 0.035,608 0.022,609 0.017,610 0.01,611 0.01,612 0.008,613 0.433,614 0.33,615 1,616 1.579,617 122.602,618 0.038,619 -0.267,620 0.055,621 -0.127,622 0.014,623 -0.051,624 0.288,625 0.102,626 0.044,627 0.037,628 0.182,629 0.021,630 -0.041,631 -0.101,632 -0.066,633 -0.126,634 0.029,635 -0.099,636 -0.063,637 -0.074,638 -0.007,639 -0.047,640 -0.022,641 -0.024,642 -0.127,643 0.092,644 0.055,645 0.118,646 -0.131,647 0.108,648 -0.074,649 -0.08,650 -0.117,651 -0.085,652 -0.182,653 -0.106,654 -0.16,655 0.087,656 -0.059,657 0.077,658 -0.144,659 0.027,660 0.02,661 -0.069,662 -0.158,663 -0.132,664 -0.034,665 -0.167,666 1.929,667 5.412,668 0.48,669 23.744,670 0.986,671 1.131,672 3.31,673 10.954,674 0.629,675 3.296,676 3.555,677 3.738,678 3.871,679 3.989,680 3.912,681 3.97,682 4.007,683 3.97,684 3.932,685 6.654,686 0.579,687 342.53,688 3.296,689 4.796,690 5.602,691 6.438,692 7.261,693 8.101,694 8.929,695 9.772,696 10.603,697 11.446,698 3.6,701 1,705 1,715 4,720 2,722 6,737 1,741 55,743 8,744 1,745 26,747 56,748 21,749 6,750 2,751 4,756 2,757 2,763 1,767 6,770 8,771 2,772 7,773 12,777 1,782 1,786 1,793 30,794 4,796 4,802 2,808 1,809 2,829 2,836 1,837 1,855 1,859 2,864 3,868 25,876 7,878 1,880 2,881 2,885 1,886 1,891 1,893 3.6,896 1,898 1,901 13.833,902 10.567,903 5.75,904 3.531,907 1.327,908 1.203,909 0.909,910 7.648,911 7.877,912 3.497,913 3.882,914 4.223,915 4.616,916 4.986,917 4.997,918 5.192,919 5.455,920 5.433,921 5.447,922 0.875,923 35,924 9.28,926 3.724,927 0.026,929 7.627,931 18.18,933 14.527,936 2.127,937 53.167,941 353.133,942 136.379,943 6.249,945 36.145,948 136.379,949 389.278,950 6.249,951 25.618,952 20.437,953 37.905,954 25.145,955 22.553,956 58.885,957 341.362,959 353.133,960 142.628,961 36.145,964 247.193,965 142.085,968 32.387,969 93.21,970 17.031,972 353.133,973 42.393,974 136.379,977 353.133,978 32.504,979 69.772,980 17.031,981 59.466,982 353.133,983 42.393,984 136.379,986 0.566,987 0.326,988 0.163,989 0.083,990 13,991 7,992 0.125,993 7,995 1,996 3.687,997 186.336,999 12,1000 112.096,1005 19.66,1006 9.726,1007 5.971,1009 42.393,1010 7.785,1015 1.749,1018 531.906,1019 32,1024 12.412,1028 -0.262,1031 54.229,1032 62.228,1034 0.234,1035 0.535,1036 0.767,1037 0.856,1038 0.873,1039 0.873,1040 4.732,1041 1.175,1042 5.565,1043 3.098,1044 4.234,1045 4.564,1046 2.511,1047 6.301,1048 4.154,1049 5.876,1050 1,1051 7.088,1052 2.579,1053 3.761,1054 4.159,1055 1.905,1056 7.06,1057 3.598,1058 7.133,1059 0.749,1060 8.712,1061 2.136,1062 5.759,1063 6.454,1064 3.582,1065 10.117,1066 5.58,1067 8.413,1068 0.642,1069 10.393,1070 1.553,1071 6.089,1072 6.819,1073 3.673,1074 11.666,1075 5.812,1076 9.722,1077 -0.2,1078 12.111,1079 1.258,1080 7.555,1081 8.64,1082 4.969,1083 14.227,1084 7.269,1085 11.047,1086 -0.264,1087 13.852,1088 -0.48,1089 8.256,1090 9.376,1091 5.375,1092 16.113,1093 7.872,1094 12.386,1095 -0.593,1096 15.611,1097 -0.684,1098 9.495,1099 10.99,1100 6.461,1101 18.482,1102 9.095,1103 2.954,1104 -0.75,1105 17.382,1106 -0.919,1107 10.376,1108 11.93,1109 7.029,1110 20.532,1111 9.887,1112 2.799,1113 9.432,1114 19.163,1115 -1.609,1116 11.513,1117 13.433,1118 7.995,1119 22.819,1120 10.997,1121 2.573,1122 8.308,1123 20.951,1124 3.693,1125 12.483,1126 14.497,1127 8.655,1128 24.953,1129 11.887,1130 2.185,1131 7.529,1132 22.746,1133 3.162,1134 13.575,1135 15.933,1136 9.55,1137 27.206,1138 12.943,1139 1.903,1140 6.23,1141 24.546,1142 2.78,1143 14.59,1144 17.076,1145 10.263,1146 29.383,1147 13.885,1148 1.46,1149 5.238,1150 26.35,1151 2.527,1152 15.664,1153 18.469,1154 11.116,1155 31.622,1156 14.914,1157 1.376,1158 3.285,1159 28.158,1160 2.255,1161 16.702,1162 19.665,1163 11.862,1164 33.825,1165 15.884,1166 7053,1167 10303,1168 16.701,1169 34.58,1170 38.76,1171 39.372,1172 39.338,1173 37.679,1174 37.634,1175 44.334,1176 8.59,1177 101.292,1178 36.249,1179 5.15,1180 5.801,1181 6.141,1182 4.972,1183 4.954,1184 6.693,1185 3.912,1186 16.164,1187 4.771,1188 14.277,1189 1.491,1190 1.514,1191 1.513,1192 1.449,1193 1.447,1194 1.705,1195 0.33,1196 3.896,1197 1.394,1198 3.968,1199 4.004,1200 3.898,1201 3.879,1202 7.433,1203 3.878,1204 3.872,1205 3.926,1206 3.75,1207 3.753,1208 5.43,1209 3.742,1210 3.708,1211 3.769,1212 3.601,1213 3.547,1214 4.813,1215 3.55,1216 3.498,1217 3.553,1218 3.401,1219 3.29,1220 4.336,1221 3.291,1222 3.376,1223 3.437,1224 3.241,1225 3.229,1226 4.287,1227 3.242,1228 3.111,1229 3.206,1230 2.938,1231 2.941,1232 4.146,1233 2.91,1234 3.105,1235 3.197,1236 2.866,1237 2.906,1238 3.911,1239 2.895,1240 3.054,1241 3.098,1242 2.86,1243 2.825,1244 3.81,1245 2.829,1246 0.16,1247 0.146,1248 0.244,1249 0.15,1250 0.114,1251 4.15,1252 0.142,1253 3.801,1254 0.085,1255 6.339,1256 0.363,1257 3.893,1258 0.107,1259 2.954,1260 3.693,1261 2.208,1262 9.432,1263 2.771,1264 1.926,1265 1.9,1266 2.096,1267 2.05,1268 1.483,1269 2.063,1270 1.874,1271 1.818,1272 2.053,1273 2.016,1274 1.289,1275 2.033,1276 1.674,1277 1.614,1278 1.875,1279 1.866,1280 1.006,1281 1.872,1282 1.421,1283 1.367,1284 1.68,1285 1.688,1286 0.878,1287 1.685,1288 1.392,1289 1.328,1290 1.655,1291 1.558,1292 0.825,1293 1.595,1294 1.153,1295 1.064,1296 1.513,1297 1.376,1298 0.753,1299 1.429,1300 1.123,1301 1.027,1302 1.489,1303 1.363,1304 0.597,1305 1.411,1306 1.013,1307 0.947,1308 1.396,1309 1.267,1310 0.497,1311 1.305,1312 3.97,1314 5.242,1316 6.703,1318 8.244,1320 9.824,1322 6.013,1328 7.3,1330 5.601,1332 0.633,1333 3.894,1337 5.376,1339 2.666,1340 31.848,1341 74.529,1342 170.269,1343 243.736,1344 272.2,1345 277.71,1346 277.71,1347 54.715,1348 6.55,1349 32.78,1350 32.78,1351 12,1352 12.012,1353 3.17,1354 2.807,1355 51.785,1356 99,1357 104,1358 0.253,1359 201.44,1360 359.98,1361 483.272,1362 5580,1364 18.234,1365 0.729,1366 0.628,1367 18.234,1368 15.702,1369 12.007,1370 0.462,1371 0.353,1372 9.075,1373 11.606,1374 8.728,1375 7.363,1376 12.007,1377 9.182,1378 10.348,1379 0.304,1380 0.209,1381 10.348,1382 7.09,1383 8.308,1384 0.203,1385 0.125,1386 8.308,1387 5.138,1388 6.193,1389 0.132,1390 0.071,1391 6.193,1392 3.323,1393 4.523,1394 0.085,1395 0.042,1396 4.523,1397 2.21,1398 0.403,1399 74.719,1400 0.245,1401 24.653,1402 0.677,1403 120,1404 310.761,1405 131.249,1406 300.86,1407 402.68,1408 280,1409 135,1410 288.839,1411 145.976,1412 295.361,1413 422.07,1414 273,1415 5.201}
{0 CHEMBL2093018,1 1.337,2 12.76,3 6.005,4 36.061,5 104.031,6 6.045,7 0.24,8 4.062,9 4.205,10 3.424,11 3.535,12 5.056,13 3.47,14 4.631,15 4.864,16 3.686,17 3.875,18 5.531,19 3.77,20 4.869,21 5.116,22 3.745,23 4.052,24 5.714,25 3.915,26 5.034,27 5.309,28 3.712,29 4.083,30 5.894,31 3.923,32 4.974,33 5.256,34 3.684,35 4.033,36 5.853,37 3.88,38 4.843,39 5.092,40 3.645,41 3.979,42 5.78,43 3.832,44 4.858,45 5.134,46 3.528,47 3.907,48 5.727,49 3.752,50 4.685,51 4.928,52 3.409,53 3.775,54 5.662,55 3.621,56 0.058,57 0.759,58 13.822,59 5.42,60 10.956,61 7.88,62 0.409,63 1.162,64 24.289,65 8.169,66 30.392,67 12.433,68 0.229,69 1.392,70 30.027,71 10.867,72 28.695,73 16.035,74 0.366,75 1.484,76 35.157,77 12.071,78 52.135,79 17.799,80 0.347,81 1.417,82 33.049,83 11.168,84 50.89,85 16.691,86 0.313,87 1.307,88 29.361,89 10.372,90 43.343,91 15.25,92 0.341,93 1.237,94 29.57,95 9.944,96 45.189,97 14.681,98 0.349,99 1.063,100 25.25,101 8.81,102 46.315,103 12.626,104 60,105 31,106 0.224,107 0.517,108 0.767,109 0.867,110 0.879,111 0.879,112 3.265,113 1.096,114 -4.93,115 -4.84,116 -4.54,121 36.8,122 2,123 5,126 2,127 2,129 1,142 1,143 1,144 4,145 1,146 1,161 1,176 10,179 3,180 6,187 10,192 5,200 6,206 11,214 6,219 8,227 4,231 1,232 9,239 6,244 2,251 7,255 2,256 5,264 8,269 1,277 7,281 1059,282 16.552,283 16.552,284 16.552,285 16.552,286 16.552,287 15.491,288 19.232,289 10.392,290 16.89,291 12.249,292 12.249,293 12.249,294 12.249,295 12.249,296 10.58,297 21.568,298 4.834,299 12.763,300 4.495,301 2.744,302 1.246,303 0.649,304 0.579,305 0.579,306 3.91,312 1,313 620,314 4.69,318 101.071,325 2.07,326 18.426,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 53,338 319,339 4.129,340 3.774,341 5.953,342 3.799,343 2.845,344 3.692,345 2.208,346 8.42,347 2.728,348 3.88,349 3.127,350 5.907,351 3.667,352 2.734,353 3.072,354 1.053,355 8.114,356 2.532,357 3.719,358 2.832,359 5.511,360 3.458,361 2.503,362 2.76,363 0.655,364 7.254,365 2.38,366 3.422,367 2.426,368 4.96,369 2.966,370 2.013,371 2.472,372 0.249,373 5.801,374 1.91,375 3.224,376 2.198,377 4.024,378 2.753,379 1.756,380 1.898,381 0.13,382 3.667,383 1.748,384 2.823,385 2.05,386 3.914,387 2.415,388 1.441,389 1.815,391 3.253,392 1.4,393 2.676,394 1.688,395 3.597,396 2.288,397 1.302,398 1.725,400 2.857,401 1.274,402 2.47,403 1.314,404 3.474,405 2.16,406 1.163,407 1.42,409 2.538,410 1.157,411 2.175,412 1.039,413 2.961,414 1.81,415 0.832,416 0.959,418 1.539,419 0.806,420 1.907,421 1.015,422 2.901,423 1.719,424 0.748,425 0.872,427 1.259,428 0.725,429 1.19,430 0.67,431 2.496,432 1.062,433 0.083,434 0.084,436 0.137,437 0.081,438 1.088,439 0.178,440 2.325,441 0.788,442 -0.202,443 -0.247,445 -0.48,446 -0.198,447 1.027,448 0.003,449 2,450 0.71,451 -0.266,452 -0.326,454 -0.682,455 -0.256,456 0.839,457 -0.303,458 1.756,459 0.365,460 -0.593,461 -0.76,463 -0.919,464 -0.565,465 0.483,466 -0.372,467 1.649,468 0.215,469 -0.758,470 -0.826,472 -1.332,473 -0.733,474 11.967,475 0.479,476 0.527,477 0.021,478 24.75,479 0.99,480 10,481 0.4,482 14.75,483 0.59,484 25.031,485 1.001,486 29.433,487 0.516,488 18.312,489 0.732,490 4.718,491 0.189,492 7.255,493 0.29,494 0.237,496 0.234,501 0.796,502 1.622,503 1.029,504 1.399,505 0.653,506 1.26,507 0.789,508 1.025,509 1.002,510 0.982,511 0.455,512 0.993,513 0.997,514 1.169,515 1.043,516 1.158,517 0.7,518 1.107,519 1.375,520 0.993,521 1.01,522 0.967,523 1.26,524 0.958,525 1.303,526 0.912,527 0.953,528 0.873,529 1.315,530 0.876,531 1.188,532 1.153,533 1.104,534 1.145,535 1.339,536 1.123,537 1.535,538 0.868,539 1.053,540 0.887,541 1.395,542 0.916,543 1.581,544 1.085,545 1.225,546 1.149,547 1.483,548 1.163,549 5,550 0.103,551 2.444,552 1.5,553 1.102,554 0.625,555 0.49,556 0.299,557 0.214,558 0.161,559 6719,560 14157,561 1.867,562 56.1,563 9,564 15,565 1,569 7,572 1.678,573 1.724,574 3.635,575 -0.83,582 76.236,583 1.337,584 3.089,585 4.587,586 5.183,587 5.254,588 5.254,589 3.113,590 4.484,591 4.607,592 3.768,593 1130.42,594 7.959,595 14661.4,600 332.475,601 1.479,602 4.553,603 0.2,604 0.006,605 0.079,606 0.047,607 0.037,608 0.021,609 0.017,610 0.012,611 0.01,612 0.008,613 0.438,614 0.33,615 0.88,616 2.695,617 124.198,618 0.042,619 -0.301,620 0.038,621 -0.158,622 0.001,623 -0.077,624 0.295,625 0.133,626 0.047,627 0.049,628 0.183,629 0.03,630 -0.02,631 -0.099,632 -0.036,633 -0.115,634 0.037,635 -0.078,636 -0.084,637 -0.042,638 0.001,639 0.002,640 -0.044,641 0.008,642 -0.081,643 0.051,644 0.054,645 0.084,646 -0.081,647 0.083,648 -0.004,649 -0.12,650 -0.083,651 -0.123,652 -0.11,653 -0.115,654 -0.145,655 0.09,656 -0.028,657 0.067,658 -0.118,659 0.038,660 -0.042,661 -0.09,662 -0.175,663 -0.143,664 -0.069,665 -0.176,666 1.967,667 5.176,668 0.24,669 27.952,670 0.984,671 1.134,672 3.702,673 13.702,674 0.62,675 3.258,676 3.466,677 3.584,678 3.664,679 3.761,680 3.738,681 3.784,682 3.807,683 3.738,684 3.584,685 7.178,686 0.568,687 344.55,688 3.258,689 4.727,690 5.501,691 6.312,692 7.109,693 7.928,694 8.736,695 9.561,696 10.375,697 11.203,698 3.5,701 1,705 1,715 4,720 2,722 6,737 1,741 57,743 8,744 1,745 25,747 57,748 21,749 6,750 2,751 4,756 1,757 1,763 2,770 6,771 2,772 7,773 12,777 1,782 1,786 1,793 32,794 4,796 4,802 2,808 1,809 2,829 1,836 1,837 1,855 1,859 1,864 4,868 25,876 7,878 1,880 1,881 2,885 1,886 1,891 1,893 3.5,896 1,898 1,901 14.5,902 11.233,903 5.972,904 3.731,907 1.35,908 1.216,909 0.889,910 10.106,911 7.612,912 3.466,913 3.818,914 4.131,915 4.512,916 4.9,917 4.927,918 5.114,919 5.363,920 5.294,921 5.184,922 0.889,923 32,924 9.255,926 3.555,927 0.026,929 7.653,931 18.021,933 13.655,936 2.153,937 53.833,941 376.675,942 144.776,943 6.249,945 36.145,948 144.776,949 412.82,950 6.249,951 34.443,952 20.008,953 37.905,954 25.145,955 22.553,956 58.885,957 364.904,959 376.675,960 151.024,961 36.145,964 294.278,965 118.543,968 40.783,969 93.21,970 17.031,972 376.675,973 42.393,974 144.776,977 376.675,978 32.076,979 78.597,980 17.031,981 59.466,982 376.675,983 42.393,984 144.776,986 0.549,987 0.306,988 0.145,989 0.074,990 9,991 6,992 0.193,993 11,995 1,996 3.696,997 172.978,999 6,1000 116.096,1005 21.381,1006 11.816,1007 8.313,1009 42.393,1010 7.726,1015 1.724,1018 563.844,1019 31,1024 12.176,1028 -0.3,1031 56.112,1032 64.643,1034 0.229,1035 0.53,1036 0.786,1037 0.889,1038 0.901,1039 0.901,1040 4.668,1041 1.163,1042 5.442,1043 2.857,1044 4.143,1045 4.5,1046 2.511,1047 6.129,1048 4.059,1049 5.803,1050 0.832,1051 6.936,1052 2.538,1053 3.611,1054 4.06,1055 1.905,1056 6.804,1057 3.438,1058 7.047,1059 0.748,1060 8.532,1061 1.539,1062 5.617,1063 6.386,1064 3.582,1065 9.828,1066 5.428,1067 8.318,1068 0.083,1069 10.185,1070 1.259,1071 5.889,1072 6.727,1073 3.673,1074 11.276,1075 5.598,1076 9.616,1077 -0.202,1078 11.874,1079 0.137,1080 7.354,1081 8.576,1082 4.969,1083 13.794,1084 7.053,1085 10.932,1086 -0.266,1087 13.585,1088 -0.48,1089 8.005,1090 9.298,1091 5.375,1092 15.566,1093 7.608,1094 12.263,1095 -0.593,1096 15.311,1097 -0.682,1098 9.234,1099 10.932,1100 6.461,1101 17.875,1102 8.819,1103 2.845,1104 -0.758,1105 17.049,1106 -0.919,1107 10.07,1108 11.864,1109 7.029,1110 19.806,1111 9.571,1112 2.734,1113 8.42,1114 18.793,1115 -1.332,1116 11.189,1117 13.382,1118 7.995,1119 22.016,1120 10.665,1121 2.503,1122 8.114,1123 20.544,1124 3.692,1125 12.118,1126 14.441,1127 8.655,1128 24.03,1129 11.522,1130 2.013,1131 7.254,1132 22.298,1133 3.072,1134 13.186,1135 15.888,1136 9.55,1137 26.191,1138 12.557,1139 1.756,1140 5.801,1141 24.057,1142 2.76,1143 14.162,1144 17.03,1145 10.263,1146 28.25,1147 13.47,1148 1.441,1149 3.667,1150 25.817,1151 2.472,1152 15.207,1153 18.43,1154 11.116,1155 30.387,1156 14.478,1157 1.302,1158 3.253,1159 27.58,1160 1.898,1161 16.207,1162 19.626,1163 11.862,1164 32.47,1165 15.422,1166 7175,1167 10567,1168 15.603,1169 35.341,1170 36.051,1171 36.628,1172 36.835,1173 34.901,1174 34.838,1175 41.541,1176 8.59,1177 89.675,1178 33.483,1179 5.063,1180 5.774,1181 5.889,1182 4.873,1183 4.845,1184 6.692,1185 3.912,1186 14.578,1187 4.728,1188 16.049,1189 1.442,1190 1.465,1191 1.473,1192 1.396,1193 1.394,1194 1.662,1195 0.344,1196 3.587,1197 1.339,1198 3.959,1199 3.991,1200 3.892,1201 3.876,1202 7.433,1203 3.874,1204 3.776,1205 3.842,1206 3.642,1207 3.632,1208 5.43,1209 3.617,1210 3.709,1211 3.77,1212 3.596,1213 3.547,1214 4.812,1215 3.551,1216 3.579,1217 3.649,1218 3.444,1219 3.365,1220 4.311,1221 3.374,1222 3.383,1223 3.442,1224 3.248,1225 3.282,1226 4.261,1227 3.266,1228 3.294,1229 3.37,1230 3.112,1231 3.078,1232 4.158,1233 3.079,1234 3.101,1235 3.197,1236 2.896,1237 2.903,1238 4.026,1239 2.887,1240 3.031,1241 3.085,1242 2.83,1243 2.799,1244 3.811,1245 2.793,1246 0.165,1247 0.151,1248 0.238,1249 0.152,1250 0.114,1251 4.129,1252 0.148,1253 3.774,1254 0.088,1255 5.953,1256 0.337,1257 3.799,1258 0.109,1259 2.845,1260 3.692,1261 2.208,1262 8.42,1263 2.728,1264 1.925,1265 1.899,1266 2.054,1267 2.033,1268 1.358,1269 2.04,1270 1.77,1271 1.705,1272 2.026,1273 1.951,1274 1.289,1275 1.977,1276 1.675,1277 1.614,1278 1.876,1279 1.867,1280 1.058,1281 1.874,1282 1.542,1283 1.469,1284 1.819,1285 1.781,1286 1.005,1287 1.796,1288 1.404,1289 1.352,1290 1.657,1291 1.565,1292 0.754,1293 1.599,1294 1.279,1295 1.201,1296 1.619,1297 1.531,1298 0.737,1299 1.567,1300 1.123,1301 1.026,1302 1.489,1303 1.363,1304 0.535,1305 1.411,1306 1.003,1307 0.927,1308 1.367,1309 1.265,1310 0.497,1311 1.281,1312 3.932,1314 5.165,1316 6.575,1318 8.068,1320 9.606,1322 8.118,1328 6.764,1330 5.504,1332 0.322,1333 3.772,1337 5.365,1339 2.66,1340 32.374,1341 76.236,1342 176.093,1343 261.455,1344 295.455,1345 299.455,1346 299.455,1347 71.893,1348 6.261,1349 32.78,1350 32.78,1351 6,1352 11.781,1353 3.17,1354 2.807,1355 71.939,1356 105,1357 125,1358 0.33,1359 208.833,1360 372.34,1361 501.312,1362 3780,1364 18.656,1365 0.746,1366 0.645,1367 18.656,1368 16.125,1369 11.973,1370 0.479,1371 0.365,1372 9.022,1373 11.566,1374 8.62,1375 7.375,1376 11.973,1377 9.131,1378 9.917,1379 0.32,1380 0.215,1381 9.917,1382 6.67,1383 7.501,1384 0.214,1385 0.125,1386 7.501,1387 4.387,1388 5.264,1389 0.139,1390 0.068,1391 5.264,1392 2.579,1393 3.733,1394 0.089,1395 0.037,1396 3.733,1397 1.57,1398 0.532,1399 74.549,1400 0.253,1401 24.991,1402 0.863,1403 112,1404 302.761,1405 122.916,1406 293.143,1407 387.84,1408 272,1409 122,1410 273.487,1411 132.643,1412 280.7,1413 397.38,1414 258,1415 5.469}
{0 CHEMBL2093019,1 1.413,2 10.5,3 4.418,4 19.516,5 87.942,6 6.531,7 0.261,8 3.882,9 4.015,10 3.327,11 3.384,12 4.912,13 3.339,14 4.449,15 4.656,16 3.636,17 3.756,18 5.421,19 3.675,20 4.687,21 4.924,22 3.669,23 3.879,24 5.59,25 3.768,26 4.757,27 5.003,28 3.596,29 3.842,30 5.707,31 3.728,32 4.67,33 4.925,34 3.548,35 3.76,36 5.639,37 3.649,38 4.528,39 4.75,40 3.43,41 3.68,42 5.572,43 3.572,44 4.497,45 4.748,46 3.313,47 3.58,48 5.513,49 3.452,50 4.296,51 4.537,52 3.136,53 3.467,54 5.267,55 3.334,56 0.037,57 0.634,58 10.73,59 4.341,60 8.926,61 6.113,62 0.352,63 1.006,64 19.785,65 6.931,66 27.99,67 10.204,68 0.178,69 1.186,70 24.978,71 8.97,72 28.378,73 13.045,74 0.345,75 1.181,76 27.547,77 8.898,78 49.168,79 12.862,80 0.335,81 1.079,82 25.185,83 8.278,84 41.103,85 11.999,86 0.261,87 0.95,88 21.74,89 7.539,90 41.29,91 10.524,92 0.329,93 0.896,94 21.191,95 7.178,96 45.068,97 10.201,98 0.184,99 0.786,100 16.982,101 5.872,102 34.108,103 8.575,104 32,105 30,106 0.247,107 0.596,108 0.829,109 0.883,110 0.883,111 0.883,112 3.146,113 1.028,114 -4.25,115 -4.19,116 -3.96,121 39.1,122 1,123 4,126 1,127 2,129 1,142 1,143 1,144 3,145 2,146 1,161 1,176 9,179 3,180 3,185 3,187 9,192 3,197 4,200 6,206 8,211 1,214 3,219 8,222 1,224 1,227 5,232 4,239 6,244 5,247 2,251 6,256 1,264 6,269 2,274 1,277 5,281 678,282 14.93,283 14.93,284 14.93,285 14.93,286 14.93,287 13.894,288 20.096,289 9.249,290 15.214,291 11.28,292 11.28,293 11.28,294 11.28,295 11.28,296 9.537,297 24.298,298 4.303,299 11.717,300 4.111,301 2.108,302 0.778,303 0.468,304 0.468,305 0.468,306 3.807,311 1,312 1,313 468,314 3.873,317 53.951,318 60.121,321 95.248,325 1.591,326 18.781,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 47,338 231,339 4.382,340 3.775,341 6.547,342 4.083,343 3.096,344 3.981,345 2.208,346 10.365,347 3.058,348 3.944,349 3.358,350 5.919,351 3.674,352 2.746,353 3.163,354 0.911,355 8.184,356 2.528,357 3.556,358 2.65,359 5.274,360 3.233,361 2.284,362 2.779,363 0.655,364 6.634,365 2.162,366 3.481,367 2.491,368 5.093,369 2.941,370 1.975,371 2.33,372 0.44,373 5.914,374 1.903,375 3.141,376 2.192,377 4.176,378 2.564,379 1.57,380 2.006,381 0.13,382 3.643,383 1.552,384 2.715,385 2.127,386 3.969,387 2.437,388 1.456,389 1.693,391 3.354,392 1.427,393 2.575,394 1.375,395 3.454,396 2.205,397 1.216,398 1.519,400 2.579,401 1.201,402 2.186,403 1.366,404 3.254,405 2.004,406 1.034,407 1.136,409 2.063,410 0.99,411 2.016,412 0.995,413 3.164,414 1.722,415 0.733,416 0.878,418 1.606,419 0.722,420 1.697,421 0.669,422 2.647,423 1.173,424 0.212,425 0.277,427 0.363,428 0.203,429 1.147,430 0.418,431 2.436,432 1.075,433 0.1,434 0.103,436 0.153,437 0.097,438 1.117,439 0.238,440 2.24,441 0.736,442 -0.236,443 -0.299,445 -0.542,446 -0.225,447 0.617,448 -0.277,449 2,450 0.205,451 -0.775,452 -1,454 -1.675,455 -0.752,456 0.578,457 -0.52,458 1.938,459 0.141,460 -0.858,461 -1.004,463 -1.802,464 -0.855,465 0.163,466 -0.759,467 1.613,468 -0.048,469 -1,470 -1.16,472 -2.402,473 -0.946,474 10.467,475 0.476,476 0.435,477 0.02,478 23.5,479 1.068,480 10,481 0.455,482 13.5,483 0.614,484 19.368,485 0.88,486 24.933,487 0.542,488 16.377,489 0.744,490 4.487,491 0.204,492 6.165,493 0.28,494 0.175,496 0.277,501 0.803,502 1.449,503 0.925,504 1.249,505 0.627,506 1.119,507 0.679,508 1.023,509 0.946,510 0.983,511 0.453,512 0.982,513 0.937,514 1.188,515 0.949,516 1.129,517 0.679,518 1.051,519 1.619,520 0.984,521 1.102,522 0.945,523 1.441,524 0.959,525 1.361,526 0.893,527 0.974,528 0.889,529 1.329,530 0.884,531 1.677,532 1.045,533 1.17,534 1.049,535 1.57,536 1.058,537 1.404,538 0.898,539 1.049,540 0.928,541 1.618,542 0.955,543 1.241,544 1.054,545 1.16,546 1.045,547 1.54,548 1.084,549 4,550 0.065,551 2.444,552 1.354,553 1.053,554 0.535,555 0.426,556 0.333,557 0.19,558 0.11,559 4664,560 10690,561 1.969,562 52.2,563 7,564 11,565 1,567 1,569 4,572 1.644,573 1.833,574 3.36,575 -0.354,577 1,582 64.986,583 1.413,584 3.415,585 4.746,586 5.056,587 5.056,588 5.056,589 2.863,590 4.187,591 4.423,592 3.472,593 802.093,594 7.6,595 9013.55,597 1,599 1,600 254.084,601 1.435,602 4.382,603 0.174,604 0.007,605 0.081,606 0.045,607 0.039,608 0.021,609 0.019,610 0.017,611 0.011,612 0.009,613 0.422,614 0.33,615 1,616 2.201,617 102.427,618 -0.001,619 -0.193,620 0.046,621 -0.092,622 -0.005,623 -0.029,624 0.301,625 0.119,626 0.048,627 0.042,628 0.169,629 0.021,630 0.002,631 -0.163,632 0.027,633 -0.118,634 0.047,635 -0.052,636 -0.182,637 -0.015,638 -0.07,639 0.006,640 -0.137,641 -0.015,642 -0.036,643 0.071,644 0.046,645 0.062,646 -0.06,647 0.066,648 -0.202,649 -0.064,650 -0.14,651 -0.051,652 -0.186,653 -0.086,654 -0.024,655 0.045,656 -0.028,657 0.032,658 -0.113,659 -0.002,660 -0.171,661 -0.032,662 -0.17,663 -0.058,664 -0.126,665 -0.106,666 1.973,667 5.034,668 0.409,669 19.86,670 0.991,671 1.13,672 3.019,673 9.113,674 0.637,675 3.178,676 3.434,677 3.664,678 3.871,679 4.043,680 4.094,681 4.205,682 4.304,683 4.159,684 4.111,685 5.949,686 0.593,687 300.44,688 3.178,689 4.673,690 5.493,691 6.344,692 7.195,693 8.059,694 8.924,695 9.796,696 10.668,697 11.544,698 4.3,700 1,705 1,715 3,720 3,722 6,737 1,741 46,743 8,744 1,745 23,747 47,748 18,749 6,750 3,751 3,756 2,757 3,763 1,767 3,770 5,771 2,772 7,773 9,777 1,782 1,786 1,790 1,793 24,794 4,795 1,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,836 1,837 1,853 1,859 1,864 2,868 22,876 6,877 1,878 1,880 1,881 1,885 1,886 1,891 1,893 4.3,896 1,898 1,901 12,902 8.7,903 5.167,904 3.024,907 1.459,908 1.223,909 0.925,910 6.148,911 8.005,912 3.401,913 3.818,914 4.252,915 4.704,916 5.173,917 5.36,918 5.653,919 5.901,920 5.773,921 5.849,922 1,923 30,924 8.144,926 3.281,927 0.026,929 7.705,931 15.783,933 12.521,936 2.205,937 48.5,940 1,941 270.735,942 118.729,943 21.135,945 36.145,948 118.729,949 306.88,950 21.135,951 17.222,952 17.474,953 46.439,954 25.145,955 22.614,956 58.885,957 258.964,959 270.735,960 139.864,961 36.145,964 223.651,965 83.229,968 44.31,969 78.523,970 17.031,972 270.735,973 57.28,974 118.729,977 270.735,978 32.727,979 48.775,980 35.041,981 59.466,982 270.735,983 57.28,984 118.729,986 0.555,987 0.32,988 0.166,989 0.095,990 12,991 6,992 0.149,993 7,994 1,995 1.222,996 3.43,997 157.889,998 0.222,999 9,1000 98.107,1005 16.704,1006 8.098,1007 4.415,1009 57.28,1010 5.873,1015 3.09,1017 18.011,1018 446.744,1019 29,1024 12.034,1028 -0.306,1031 45.578,1032 51.983,1034 0.256,1035 0.618,1036 0.859,1037 0.915,1038 0.915,1039 0.915,1040 4.63,1041 1.034,1042 5.451,1043 2.579,1044 4.111,1045 4.5,1046 2.503,1047 6.221,1048 4.037,1049 5.788,1050 0.733,1051 6.986,1052 2.063,1053 3.611,1054 4.182,1055 1.847,1056 7.066,1057 3.489,1058 7.063,1059 0.212,1060 8.626,1061 1.606,1062 5.652,1063 6.499,1064 3.569,1065 10.157,1066 5.504,1067 8.371,1068 0.1,1069 10.328,1070 0.363,1071 6.019,1072 7.04,1073 3.656,1074 11.86,1075 5.835,1076 9.712,1077 -0.236,1078 12.071,1079 0.153,1080 7.499,1081 8.839,1082 4.964,1083 14.451,1084 7.295,1085 11.075,1086 -0.775,1087 13.84,1088 -0.542,1089 8.267,1090 9.78,1091 5.37,1092 16.512,1093 8.044,1094 12.457,1095 -0.858,1096 15.63,1097 -1.675,1098 9.522,1099 11.368,1100 6.459,1101 18.932,1102 9.283,1103 3.096,1104 -1,1105 17.434,1106 -1.802,1107 10.477,1108 12.51,1109 7.028,1110 21.147,1111 10.228,1112 2.746,1113 10.365,1114 19.249,1115 -2.402,1116 11.641,1117 13.999,1118 7.994,1119 23.508,1120 11.382,1121 2.284,1122 8.184,1123 21.074,1124 3.981,1125 12.682,1126 15.246,1127 8.654,1128 25.79,1129 12.417,1130 1.975,1131 6.634,1132 22.906,1133 3.163,1134 13.812,1135 16.686,1136 9.549,1137 28.131,1138 13.54,1139 1.57,1140 5.914,1141 24.744,1142 2.779,1143 14.893,1144 17.992,1145 10.263,1146 30.443,1147 14.616,1148 1.456,1149 3.643,1150 26.588,1151 2.33,1152 16.012,1153 19.405,1154 11.116,1155 32.779,1156 15.729,1157 1.216,1158 3.354,1159 28.436,1160 2.006,1161 17.112,1162 20.743,1163 11.862,1164 35.104,1165 16.825,1166 4844,1167 7436,1168 14.909,1169 29.296,1170 34.171,1171 34.26,1172 34.819,1173 32.892,1174 32.846,1175 39.728,1176 8.689,1177 89.714,1178 31.686,1179 5.29,1180 5.775,1181 6.411,1182 5.163,1183 5.096,1184 6.981,1185 3.912,1186 17.023,1187 5.058,1188 11.976,1189 1.486,1190 1.49,1191 1.514,1192 1.43,1193 1.428,1194 1.727,1195 0.378,1196 3.901,1197 1.378,1198 4.033,1199 4.062,1200 3.972,1201 3.963,1202 7.433,1203 3.961,1204 3.748,1205 3.815,1206 3.634,1207 3.567,1208 5.432,1209 3.563,1210 3.585,1211 3.639,1212 3.476,1213 3.444,1214 4.811,1215 3.445,1216 3.479,1217 3.541,1218 3.346,1219 3.303,1220 4.337,1221 3.305,1222 3.362,1223 3.425,1224 3.215,1225 3.193,1226 4.211,1227 3.195,1228 3.041,1229 3.103,1230 2.898,1231 2.871,1232 4.034,1233 2.867,1234 2.978,1235 3.076,1236 2.789,1237 2.763,1238 3.936,1239 2.743,1240 2.917,1241 2.971,1242 2.63,1243 2.621,1244 3.645,1245 2.636,1246 0.191,1247 0.164,1248 0.285,1249 0.178,1250 0.135,1251 4.382,1252 0.173,1253 3.775,1254 0.096,1255 6.547,1256 0.451,1257 4.083,1258 0.133,1259 3.096,1260 3.981,1261 2.208,1262 10.365,1263 3.058,1264 1.894,1265 1.876,1266 1.991,1267 1.992,1268 1.267,1269 1.989,1270 1.715,1271 1.646,1272 1.972,1273 1.912,1274 1.187,1275 1.933,1276 1.636,1277 1.575,1278 1.855,1279 1.822,1280 1.174,1281 1.837,1282 1.437,1283 1.385,1284 1.707,1285 1.687,1286 0.831,1287 1.698,1288 1.407,1289 1.336,1290 1.651,1291 1.575,1292 0.728,1293 1.606,1294 1.073,1295 1.032,1296 1.455,1297 1.31,1298 0.577,1299 1.358,1300 1.02,1301 0.911,1302 1.282,1303 1.278,1304 0.442,1305 1.276,1306 0.841,1307 0.793,1308 1.1,1309 1.129,1310 0.2,1311 1.119,1312 3.85,1314 5.118,1315 2.398,1316 6.578,1317 4.727,1318 8.134,1319 6.823,1320 9.746,1322 3.867,1328 5.361,1329 3.332,1330 5.47,1332 0.252,1333 1.616,1337 5.308,1339 2.604,1340 27.267,1341 64.986,1342 157.109,1343 218.309,1344 232.574,1345 232.574,1346 232.574,1347 41.537,1348 6.547,1349 41.57,1350 41.57,1351 11,1352 12.084,1353 3.17,1354 2.807,1355 42.31,1356 77,1357 88,1358 0.273,1359 172.662,1360 308.08,1361 413.056,1362 5212,1364 15.949,1365 0.725,1366 0.609,1367 15.949,1368 13.393,1369 10.651,1370 0.463,1371 0.343,1372 7.783,1373 10.289,1374 7.536,1375 6.344,1376 10.651,1377 7.879,1378 8.915,1379 0.297,1380 0.189,1381 8.915,1382 5.68,1383 7.288,1384 0.192,1385 0.106,1386 7.288,1387 4.01,1388 5.545,1389 0.118,1390 0.058,1391 5.545,1392 2.703,1393 4.413,1394 0.079,1395 0.032,1396 4.413,1397 1.785,1398 0.428,1399 66.416,1400 0.259,1401 21.939,1402 0.742,1403 106,1404 293.449,1405 116.555,1406 283.127,1407 380.99,1408 264,1409 121,1410 274.782,1411 131.143,1412 278.798,1413 403.85,1414 260,1415 5.032}
{0 CHEMBL209392,1 1.394,2 14.361,3 6.865,4 47.127,5 140.853,6 7.613,7 0.6,8 4.226,9 4.34,10 3.82,11 3.856,12 5.359,13 3.822,14 4.762,15 4.928,16 4.166,17 4.254,18 5.834,19 4.201,20 5.072,21 5.277,22 4.256,23 4.442,24 6.1,25 4.352,26 5.188,27 5.428,28 4.208,29 4.481,30 6.118,31 4.36,32 5.206,33 5.446,34 4.233,35 4.527,36 6.112,37 4.4,38 5.255,39 5.498,40 4.163,41 4.507,42 6.201,43 4.355,44 5.216,45 5.508,46 4.021,47 4.294,48 6.107,49 4.144,50 4.924,51 5.186,52 3.914,53 4.004,54 6.069,55 3.932,56 0.011,57 0.978,58 11.649,59 5.85,60 10.871,61 7.427,62 0.131,63 1.655,64 22.302,65 9.583,66 19.982,67 12.35,68 0.273,69 2.203,70 33.323,71 14.052,72 52.37,73 18.173,74 0.295,75 2.304,76 39.588,77 16.225,78 62.381,79 21.96,80 0.233,81 2.26,82 39.525,83 16.459,84 53.392,85 22.91,86 0.355,87 2.467,88 42.222,89 17.839,90 66.72,91 24.501,92 0.295,93 2.348,94 44.734,95 17.13,96 67.908,97 23.778,98 0.486,99 2.142,100 34.126,101 12.167,102 95.991,103 14.265,104 11,105 55,106 0.22,107 0.475,108 0.607,109 0.727,110 0.773,111 0.773,112 3.615,113 0.912,114 -6.69,115 -6.51,116 -6.03,121 49.2,127 5,129 1,144 16,145 6,146 2,160 1,176 21,180 4,187 25,191 1,192 8,200 22,206 9,214 18,219 7,227 16,232 9,239 8,244 9,251 3,256 3,264 8,268 1,269 2,277 16,281 2370,282 24.817,283 24.817,284 24.817,285 24.817,286 24.817,287 21.81,288 25.572,289 14.673,290 25.165,291 19.69,292 19.69,293 19.69,294 19.69,295 19.69,296 15.274,297 30.977,298 6.899,299 20.31,300 4.583,301 2.965,302 2.131,303 1.369,304 1.079,305 1.079,306 4.325,312 1,313 1132,314 3.162,318 682.092,325 2.265,326 31.613,329 0.75,330 0.67,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.75,337 76.5,338 517,339 4.409,340 4.07,341 6.783,342 4.117,343 3.148,344 4.078,345 2.035,346 11.165,347 3.055,348 4.341,349 3.558,350 6.498,351 4.018,352 3.019,353 3.829,354 1.277,355 10.161,356 3.016,357 3.956,358 3.042,359 5.608,360 3.628,361 2.668,362 3.535,363 0.916,364 7.748,365 2.573,366 3.929,367 2.936,368 5.348,369 3.467,370 2.501,371 3.478,372 0.494,373 6.791,374 2.412,375 3.722,376 2.905,377 5.326,378 3.378,379 2.42,380 3.024,381 0.172,382 6.732,383 2.305,384 3.587,385 2.858,386 5.198,387 3.218,388 2.27,389 2.775,391 6.309,392 2.138,393 3.394,394 2.519,395 4.998,396 3,397 2.022,398 2.509,400 5.864,401 1.972,402 3.239,403 2.233,404 4.871,405 2.815,406 1.857,407 2.47,409 5.436,410 1.759,411 3.202,412 2.172,413 4.845,414 2.747,415 1.81,416 2.229,418 5.382,419 1.683,420 2.971,421 2.019,422 4.019,423 2.49,424 1.495,425 2.022,427 3.343,428 1.487,429 2.693,430 1.497,431 3.636,432 2.137,433 1.139,434 1.659,436 2.802,437 1.137,438 2.595,439 1.173,440 3.596,441 2,442 1,443 1.5,445 2.275,446 1,447 2.5,448 1.146,449 3.414,450 2,451 1,452 1.5,454 2.275,455 1,456 2.5,457 1.009,458 3.414,459 2,460 1,461 1.5,463 2.275,464 1,465 2.5,466 1,467 3.414,468 1.967,469 1,470 1,472 2.275,473 0.965,474 17.271,475 0.48,476 0.742,477 0.021,478 49.25,479 1.368,480 27,481 0.75,482 22.25,483 0.618,484 29.904,485 0.831,486 36.729,487 0.583,488 39.598,489 1.1,490 9.982,491 0.277,492 7.619,493 0.212,494 0.056,496 0.307,499 2,501 0.545,502 0.985,503 0.727,504 0.97,505 0.47,506 0.901,507 0.791,508 0.937,509 0.925,510 0.945,511 0.495,512 0.944,513 0.909,514 0.968,515 1.046,516 1.036,517 0.735,518 1.056,519 0.689,520 0.845,521 0.97,522 0.978,523 0.616,524 1.01,525 0.412,526 0.745,527 0.915,528 0.972,529 0.39,530 1.012,531 0.504,532 0.915,533 1.056,534 1.189,535 0.627,536 1.216,537 0.712,538 0.962,539 0.834,540 0.97,541 0.642,542 0.933,543 2.196,544 1.34,545 1.18,546 0.894,547 1.974,548 0.869,549 6.5,550 0.074,551 4,552 2.375,553 1.791,554 0.729,555 1.064,556 0.707,557 0.329,558 0.269,559 21986,560 60330,561 2.137,562 42.9,564 27,572 1.771,573 2.038,574 3.761,575 -0.855,582 87.852,583 1.394,584 3.012,585 3.846,586 4.608,587 4.898,588 4.898,589 3.211,590 3.75,591 5.141,592 4.009,593 2525.39,594 9.018,595 42016.4,600 376.569,601 1.256,602 5.118,603 0.162,604 0.002,605 0.073,606 0.041,607 0.033,608 0.013,609 0.022,610 0.017,611 0.009,612 0.007,613 0.379,614 0.5,615 0.63,616 0.586,617 199.296,618 0.003,619 -0.07,620 0.049,621 -0.014,622 0.011,623 0.016,624 -0.077,625 -0.004,626 -0.068,627 -0.011,628 0.027,629 -0.027,630 -0.066,631 -0.017,632 -0.12,633 -0.069,634 -0.002,635 -0.095,636 -0.035,637 -0.01,638 -0.021,639 -0.003,641 -0.007,642 0.005,643 -0.011,644 0.002,645 -0.006,646 0.011,647 -0.002,648 0.091,649 -0.11,650 -0.11,651 -0.204,652 -0.017,653 -0.199,654 0.073,655 -0.132,656 0.211,657 0.019,658 0.07,659 0.11,660 -0.214,661 0.038,662 -0.019,663 0.113,664 -0.173,665 0.092,666 1.927,667 5.581,668 0.833,669 45.259,670 0.997,671 1.12,672 5.461,673 29.821,674 0.695,675 3.714,676 4.025,677 4.304,678 4.564,679 4.828,680 4.844,681 5.037,682 5.147,683 5.176,684 5.283,685 8.672,686 0.662,687 479.61,688 3.714,689 5.252,690 6.103,691 6.974,692 7.84,693 8.717,694 9.589,695 10.467,696 11.343,697 12.222,698 4.8,701 2,707 1,715 16,720 8,722 24,724 1,740 2,741 63,743 25,744 4,745 40,747 67,748 31,749 24,750 8,751 16,756 5,757 5,770 1,771 1,772 24,773 6,791 2,793 27,794 5,796 5,802 3,808 1,829 5,855 2,859 5,866 2,868 36,876 5,880 1,881 2,885 1,889 1,891 1,892 2,901 17.667,902 11.302,903 7.972,904 3.834,907 3.501,908 1.427,909 1.013,910 7.19,911 11.706,912 4.007,913 4.564,914 5.127,915 5.675,916 6.233,917 6.348,918 6.735,919 7.058,920 7.301,921 7.546,922 1,923 58,924 13.337,926 5.731,927 0.026,929 7.796,931 25.621,933 21.47,936 2.296,937 82.667,941 317.82,942 216.106,943 37.308,946 29.92,948 216.106,949 317.82,950 67.228,952 10.529,953 151.62,954 16.602,955 74.663,956 29.92,957 317.82,959 317.82,960 253.414,961 29.92,964 347.74,968 47.837,969 205.577,972 347.74,973 37.308,974 216.106,977 317.82,978 47.884,979 157.869,980 16.602,981 60.98,982 317.82,983 67.228,984 216.106,986 0.576,987 0.339,988 0.186,989 0.108,990 26,991 11,992 0.09,993 6,995 1,996 4.729,997 343.449,999 30,1000 156.117,1005 23.89,1006 10.835,1007 5.549,1009 67.228,1010 29.323,1015 5.393,1018 601.154,1019 54,1031 62.818,1032 70.572,1034 0.233,1035 0.504,1036 0.643,1037 0.771,1038 0.819,1039 0.819,1040 5.242,1041 1.857,1042 6.071,1043 5.864,1044 4.71,1045 5.252,1046 2.622,1047 6.862,1048 4.651,1049 6.433,1050 1.81,1051 7.613,1052 5.436,1053 4.205,1054 4.844,1055 1.057,1056 7.738,1057 4.087,1058 7.72,1059 1.495,1060 9.255,1061 5.382,1062 6.282,1063 7.373,1064 3.674,1065 10.835,1066 6.175,1067 9.037,1068 1.139,1069 10.958,1070 3.343,1071 6.608,1072 7.774,1073 1.524,1074 12.593,1075 6.455,1076 10.383,1077 1,1078 12.703,1079 2.802,1080 8.126,1081 9.752,1082 4.998,1083 15.21,1084 7.977,1085 11.751,1086 1,1087 14.478,1088 2.275,1089 8.85,1090 10.558,1091 1.926,1092 17.343,1093 8.67,1094 13.135,1095 1,1096 16.276,1097 2.275,1098 10.132,1099 12.271,1100 6.391,1101 19.805,1102 9.949,1103 3.148,1104 1,1105 18.093,1106 2.275,1107 11.058,1108 13.307,1109 2.339,1110 22.093,1111 10.851,1112 3.019,1113 11.165,1114 19.925,1115 2.275,1116 12.239,1117 14.875,1118 7.802,1119 24.505,1120 12.024,1121 2.668,1122 10.161,1123 21.77,1124 4.078,1125 13.266,1126 16.048,1127 2.774,1128 26.856,1129 13.031,1130 2.501,1131 7.748,1132 23.625,1133 3.829,1134 14.407,1135 17.534,1136 9.219,1137 29.254,1138 14.16,1139 2.42,1140 6.791,1141 25.489,1142 3.535,1143 15.484,1144 18.789,1145 3.228,1146 31.63,1147 15.218,1148 2.27,1149 6.732,1150 27.359,1151 3.478,1152 16.612,1153 20.229,1154 10.639,1155 34.025,1156 16.331,1157 2.022,1158 6.309,1159 29.236,1160 3.024,1161 17.714,1162 21.536,1163 3.696,1164 36.413,1165 17.414,1166 20477,1167 34066,1168 27.334,1169 43.79,1170 60.894,1171 62.478,1172 61.184,1173 59.432,1174 59.243,1175 77.891,1176 9.788,1177 167.401,1178 57.424,1179 5.409,1180 6.07,1181 6.475,1182 5.184,1183 5.148,1184 7.078,1185 4.069,1186 17.918,1187 5.055,1188 14.854,1189 1.522,1190 1.562,1191 1.53,1192 1.486,1193 1.481,1194 1.947,1195 0.245,1196 4.185,1197 1.436,1198 4.057,1199 4.091,1200 4,1201 3.994,1202 8.203,1203 3.991,1204 3.987,1205 4.012,1206 3.938,1207 3.929,1208 8.2,1209 3.928,1210 3.824,1211 3.873,1212 3.772,1213 3.751,1214 6.82,1215 3.75,1216 3.824,1217 3.852,1218 3.746,1219 3.734,1220 4.812,1221 3.731,1222 3.708,1223 3.758,1224 3.611,1225 3.556,1226 4.708,1227 3.562,1228 3.272,1229 3.337,1230 3.194,1231 3.109,1232 4.585,1233 3.118,1234 3.183,1235 3.236,1236 3.143,1237 3.033,1238 4.547,1239 3.052,1240 3.111,1241 3.206,1242 2.966,1243 2.957,1244 4.302,1245 2.951,1246 0.11,1247 0.102,1248 0.17,1249 0.103,1250 0.079,1251 4.409,1252 0.102,1253 4.07,1254 0.051,1255 6.783,1256 0.279,1257 4.117,1258 0.076,1259 3.148,1260 4.078,1261 2.035,1262 11.165,1263 3.055,1264 2.008,1265 1.986,1266 2.105,1267 2.101,1268 1.364,1269 2.104,1270 1.978,1271 1.952,1272 2.077,1273 2.057,1274 1.233,1275 2.066,1276 1.813,1277 1.787,1278 1.959,1279 1.949,1280 1.156,1281 1.956,1282 1.812,1283 1.776,1284 1.923,1285 1.907,1286 0.998,1287 1.912,1288 1.69,1289 1.629,1290 1.869,1291 1.832,1292 0.99,1293 1.848,1294 1.227,1295 1.17,1296 1.513,1297 1.436,1298 0.825,1299 1.439,1300 1.153,1301 1.076,1302 1.442,1303 1.376,1304 0.664,1305 1.429,1306 1.121,1307 1.064,1308 1.275,1309 1.296,1310 0.507,1311 1.276,1312 4.394,1314 5.707,1316 7.223,1318 8.825,1320 10.47,1324 27.162,1328 4.363,1332 -0.048,1333 4.819,1338 9.387,1339 2.267,1340 41.679,1341 87.852,1342 189.76,1343 242.304,1344 290.304,1345 308.569,1346 308.569,1347 66.227,1348 8.205,1349 30.27,1350 30.27,1351 30,1352 12.759,1353 4.7,1354 3.907,1355 54.715,1356 193,1357 168,1358 0.139,1359 252.962,1360 447.64,1361 608.987,1362 45998,1363 3.2,1364 24.907,1365 0.692,1366 0.554,1367 23.167,1368 19.948,1369 17.602,1370 0.44,1371 0.304,1372 12.044,1373 17.122,1374 11.791,1375 9.717,1376 16.814,1377 12.163,1378 15.531,1379 0.282,1380 0.167,1381 14.287,1382 9.172,1383 13.301,1384 0.182,1385 0.094,1386 12.48,1387 6.862,1388 10.992,1389 0.116,1390 0.052,1391 10.689,1392 4.964,1393 9.525,1394 0.077,1395 0.03,1396 9.054,1397 3.693,1398 0.224,1399 108.883,1400 0.191,1401 33.428,1402 0.364,1403 190,1404 577.158,1405 202.852,1406 524.52,1407 704.44,1408 490,1409 223,1410 502.653,1411 235.37,1412 507.258,1413 736.77,1414 478,1415 7.133}
{0 CHEMBL209493,1 1.666,2 8.5,3 2.756,4 7.597,5 86.169,6 7.233,7 0.217,8 3.876,9 4.001,10 3.445,11 3.4,12 4.941,13 3.334,14 4.458,15 4.647,16 3.868,17 3.82,18 5.511,19 3.717,20 4.768,21 5.001,22 3.755,23 3.932,24 5.701,25 3.796,26 4.88,27 5.126,28 3.834,29 3.92,30 5.939,31 3.82,32 4.833,33 5.063,34 3.927,35 3.944,36 5.948,37 3.848,38 4.9,39 5.121,40 3.917,41 3.958,42 6.18,43 3.828,44 4.776,45 5.028,46 3.519,47 3.798,48 5.805,49 3.621,50 4.502,51 4.786,52 3.34,53 3.514,54 5.463,55 3.305,56 0.068,57 0.662,58 10.788,59 4.67,60 10.541,61 6.001,62 0.282,63 1.073,64 21.937,65 7.601,66 49.555,67 10.78,68 0.294,69 1.247,70 31.073,71 10.262,72 49.674,73 13.947,74 0.609,75 1.26,76 33.818,77 9.584,78 99.971,79 13.626,80 0.457,81 1.259,82 31.661,83 9.821,84 75.415,85 13.43,86 0.873,87 1.307,88 39.785,89 10.832,90 148.703,91 13.912,92 0.6,93 1.152,94 34.714,95 9.117,96 90.354,97 12.32,98 0.432,99 0.872,100 26.745,101 7.16,102 52.468,103 10.168,104 33,105 32,106 0.294,107 0.515,108 0.708,109 0.831,110 0.831,111 0.831,112 3.147,113 1.125,114 -3.68,115 -3.65,116 -3.47,121 33.3,122 2,123 7,124 1,125 1,160 2,163 1,164 1,168 1,170 1,174 1,176 10,177 1,180 5,183 3,185 3,187 12,188 2,192 6,195 1,197 5,200 7,201 2,205 1,206 7,211 6,214 7,215 3,218 1,219 8,220 1,224 4,225 1,227 8,228 2,231 1,232 10,235 2,236 1,237 3,239 8,244 5,245 1,249 1,251 6,252 1,255 1,256 3,257 1,259 1,261 1,264 4,268 1,269 2,272 1,277 2,278 1,281 712,282 14.43,283 14.43,284 14.43,285 14.43,286 14.43,287 13.485,288 17.258,289 8.538,290 14.789,291 11.265,292 11.265,293 11.265,294 11.265,295 11.265,296 9.807,297 25.238,298 3.898,299 11.834,300 3.826,301 2.575,302 1.485,303 0.789,304 0.789,305 0.789,306 3.797,310 1,311 1,312 1,313 378,314 4.123,317 143.25,325 1.318,326 31.536,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 48.5,338 187,339 4.568,340 4.026,341 7.627,342 4.505,343 3.503,344 3.768,345 2.341,346 13.9,347 3.509,348 4.078,349 3.711,350 5.905,351 3.661,352 2.706,353 3.603,354 1.907,355 8.084,356 2.647,357 3.834,358 2.859,359 5.585,360 3.536,361 2.635,362 2.994,363 0.149,364 7.651,365 2.288,366 3.232,367 2.666,368 4.923,369 2.898,370 1.96,371 2.378,373 5.384,374 1.836,375 2.88,376 2.042,377 4.495,378 2.524,379 1.557,380 1.901,382 3.956,383 1.482,384 2.654,385 2.017,386 3.962,387 2.436,388 1.432,389 1.607,391 3.131,392 1.418,393 2.287,394 1.369,395 3.618,396 2.176,397 1.174,398 1.26,400 2.593,401 1.166,402 2.201,403 1.016,404 3.583,405 1.743,406 0.752,407 1.057,409 1.716,410 0.736,411 1.845,412 0.809,413 3.276,414 1.618,415 0.699,416 0.776,418 1.464,419 0.627,420 1.618,421 0.618,422 3.135,423 1.618,424 0.618,425 0.618,427 1.359,428 0.618,429 1.022,430 0.438,431 2.807,432 0.676,433 -0.312,434 -0.321,436 -0.623,437 -0.296,438 0.682,439 0.376,440 2.467,441 0.591,442 -0.356,443 -0.43,445 -0.894,446 -0.342,447 0.472,448 -0.283,449 1.885,450 0.106,451 -0.842,452 -0.93,454 -2,455 -0.792,456 0.418,457 -0.38,458 1.601,459 0.101,460 -0.924,461 -1.017,463 -2.006,464 -0.891,465 0.104,466 -0.65,467 1.572,468 -0.027,469 -1,470 -1.316,472 -2.098,473 -1.002,474 10.533,475 0.479,476 0.621,477 0.028,478 20.75,479 0.943,480 7.5,481 0.341,482 13.25,483 0.602,484 24.971,485 1.135,486 26.067,487 0.579,488 12.95,489 0.589,490 3.207,491 0.146,492 7.258,493 0.33,494 0.19,495 0.047,496 0.237,501 0.699,502 1.259,503 0.82,504 1.081,505 0.624,506 1.085,507 0.33,508 1.279,509 0.734,510 1.145,511 0.369,512 1.079,513 0.797,514 1.183,515 1.01,516 1.188,517 0.816,518 1.13,519 1.319,520 0.877,521 0.812,522 0.776,523 1.424,524 0.887,525 1.214,526 0.98,527 0.802,528 0.862,529 1.271,530 0.922,531 1.392,532 1.012,533 1.301,534 1.09,535 1.422,536 1.023,537 1.487,538 0.964,539 1.371,540 1.035,541 1.42,542 1.072,543 0.68,544 0.988,545 1.03,546 1.093,547 0.644,548 1.068,549 6,550 0.037,551 2.889,552 1.819,553 1.405,554 0.753,555 0.526,556 0.26,557 0.161,558 0.134,559 4185,560 12216,561 1.933,562 51.1,563 17,567 2,568 4,572 1.652,573 1.772,574 3.057,575 0.393,576 1,577 1,579 1,582 74.978,583 1.666,584 2.917,585 4.007,586 4.703,587 4.703,588 4.703,589 2.495,590 4.096,591 4.429,592 3.194,593 737.801,594 7.645,595 8104.19,597 1,599 1,600 247.133,601 1.674,602 4.355,603 0.261,604 0.007,605 0.09,606 0.061,607 0.045,608 0.022,609 0.017,610 0.013,611 0.012,612 0.013,613 0.541,614 0.33,615 1,616 1.611,617 100.034,618 -0.015,619 0.054,620 0.05,621 0.071,622 -0.012,623 0.032,624 0.294,625 -0.125,626 0.188,627 -0.039,628 0.207,629 0.005,630 -0.011,631 -0.166,632 -0.077,633 -0.169,634 -0.02,635 -0.107,636 -0.132,637 0.045,638 0.02,639 0.061,640 -0.15,641 0.044,642 -0.08,643 -0.014,644 0.069,645 0.04,646 -0.064,647 0.038,648 -0.01,649 -0.027,650 -0.136,651 -0.029,652 0.032,653 -0.068,654 -0.312,655 0.01,656 -0.273,657 -0.036,658 -0.231,659 -0.132,660 0.097,661 -0.031,662 0.011,663 -0.104,664 0.039,665 -0.097,666 2.465,667 5.743,668 0.455,669 16.364,670 1.004,671 1.138,672 2.453,673 6.017,674 0.636,675 3.178,676 3.497,677 3.714,678 3.912,679 3.951,680 3.932,681 3.892,682 3.829,683 3.584,684 3.401,685 5.177,686 0.593,687 325.48,688 3.178,689 4.71,690 5.541,691 6.422,692 7.284,693 8.169,694 9.044,695 9.931,696 10.812,697 11.7,698 6.7,705 1,708 2,716 2,719 1,720 2,722 5,741 45,743 7,745 23,747 46,748 15,749 2,756 2,757 2,763 2,764 1,766 1,767 4,770 7,772 4,773 11,774 1,777 2,782 2,786 2,789 1,790 1,793 23,794 6,795 2,796 7,797 1,802 3,808 1,809 3,828 2,843 1,845 1,857 1,859 2,862 1,864 2,868 22,875 1,876 7,877 1,880 1,882 1,893 6.7,895 1,896 2,901 12.417,902 8.433,903 4.986,904 3.086,907 0.812,908 1.133,909 0.883,910 5.904,911 6.912,912 3.35,913 3.812,914 4.172,915 4.539,916 4.576,917 4.635,918 4.762,919 4.749,920 4.696,921 4.732,922 0.833,923 30,924 8.245,926 3.53,927 0.026,929 7.958,931 15.678,933 13.014,936 2.458,937 54.083,940 1,941 247.193,942 73.715,943 51.337,945 92.973,947 31.278,948 42.437,949 340.166,950 51.337,951 17.65,952 35.752,954 132.843,955 0.501,957 278.471,959 247.193,960 93.774,961 92.973,962 31.278,964 247.193,965 92.973,968 54.833,969 5.615,970 33.326,971 31.278,972 247.193,973 144.31,974 73.715,977 247.193,978 56.064,979 17.65,980 18.011,981 126.299,982 247.193,983 144.31,984 73.715,986 0.576,987 0.336,988 0.177,989 0.089,990 14,991 7,992 0.152,993 7,995 1,996 3.272,997 164.94,999 10,1000 94.107,1001 1,1005 17.33,1006 7.495,1007 4.26,1009 144.31,1011 7.826,1014 1.339,1015 1.293,1017 60.694,1018 465.218,1019 27.5,1024 24.195,1028 -0.892,1031 45.2,1032 51.195,1034 0.303,1035 0.531,1036 0.73,1037 0.856,1038 0.856,1039 0.856,1040 4.608,1041 0.752,1042 5.572,1043 2.593,1044 4.174,1045 4.494,1046 2.748,1047 6.444,1048 4.096,1049 5.796,1050 0.699,1051 7.185,1052 1.716,1053 4.007,1054 4.407,1055 2.591,1056 7.858,1057 3.92,1058 7.114,1059 0.618,1060 8.923,1061 1.464,1062 5.878,1063 6.503,1064 4.005,1065 10.903,1066 5.761,1067 8.471,1068 -0.312,1069 10.744,1070 1.359,1071 6.567,1072 7.221,1073 4.392,1074 13.191,1075 6.474,1076 9.865,1077 -0.356,1078 12.623,1079 -0.623,1080 7.973,1081 8.831,1082 5.469,1083 15.901,1084 7.87,1085 11.282,1086 -0.842,1087 14.543,1088 -0.894,1089 9,1090 9.874,1091 6.092,1092 18.441,1093 8.927,1094 12.717,1095 -0.924,1096 16.492,1097 -2,1098 10.274,1099 11.307,1100 7.032,1101 21.087,1102 10.203,1103 3.503,1104 -1,1105 18.464,1106 -2.006,1107 11.431,1108 12.491,1109 7.767,1110 23.694,1111 11.384,1112 2.706,1113 13.9,1114 20.451,1115 -2.098,1116 12.673,1117 13.853,1118 8.649,1119 26.328,1120 12.634,1121 2.635,1122 8.084,1123 22.449,1124 3.768,1125 13.882,1126 15.101,1127 9.44,1128 28.954,1129 13.859,1130 1.96,1131 7.651,1132 24.456,1133 3.603,1134 15.121,1135 16.433,1136 10.299,1137 31.586,1138 15.107,1139 1.557,1140 5.384,1141 26.469,1142 2.994,1143 16.352,1144 17.713,1145 11.117,1146 34.216,1147 16.349,1148 1.432,1149 3.956,1150 28.487,1151 2.378,1152 17.594,1153 19.032,1154 11.967,1155 36.847,1156 17.598,1157 1.174,1158 3.131,1159 30.509,1160 1.901,1161 18.836,1162 20.327,1163 12.8,1164 39.479,1165 18.847,1166 4353,1167 7568,1168 14.504,1169 28.642,1170 34.478,1171 35.022,1172 36.617,1173 34.129,1174 34.069,1175 39.923,1176 8.794,1177 98.476,1178 32.652,1179 5.537,1180 5.98,1181 7.39,1182 5.618,1183 5.503,1184 6.373,1185 3.925,1186 21.295,1187 5.478,1188 12.875,1189 1.499,1190 1.523,1191 1.592,1192 1.484,1193 1.481,1194 1.736,1195 0.382,1196 4.282,1197 1.42,1198 3.984,1199 4.023,1200 4.218,1201 3.882,1202 7.474,1203 3.871,1204 3.783,1205 3.822,1206 3.857,1207 3.732,1208 7.428,1209 3.656,1210 3.704,1211 3.756,1212 3.58,1213 3.568,1214 6.351,1215 3.558,1216 3.394,1217 3.453,1218 3.228,1219 3.202,1220 5.015,1221 3.192,1222 3.298,1223 3.345,1224 3.205,1225 3.039,1226 4.285,1227 3.07,1228 3.021,1229 3.093,1230 2.84,1231 2.794,1232 4.113,1233 2.78,1234 2.889,1235 2.979,1236 2.726,1237 2.671,1238 3.904,1239 2.635,1240 2.869,1241 2.944,1242 2.583,1243 2.549,1244 3.704,1245 2.587,1246 0.199,1247 0.175,1248 0.332,1249 0.196,1250 0.152,1251 4.568,1252 0.164,1253 4.026,1254 0.102,1255 7.627,1256 0.604,1257 4.505,1258 0.153,1259 3.503,1260 3.768,1261 2.341,1262 13.9,1263 3.509,1264 1.842,1265 1.806,1266 2.028,1267 1.987,1268 1.424,1269 1.999,1270 1.624,1271 1.573,1272 1.86,1273 1.806,1274 1.211,1275 1.823,1276 1.577,1277 1.507,1278 1.86,1279 1.751,1280 1.181,1281 1.793,1282 1.464,1283 1.433,1284 1.668,1285 1.627,1286 0.809,1287 1.661,1288 1.316,1289 1.261,1290 1.577,1291 1.586,1292 0.797,1293 1.575,1294 1.212,1295 1.148,1296 1.305,1297 1.472,1298 0.417,1299 1.462,1300 0.771,1301 0.728,1302 1.203,1303 1.172,1304 0.351,1305 1.149,1306 0.747,1307 0.675,1308 1.027,1309 1.07,1310 0.094,1311 1.089,1312 3.85,1314 5.165,1315 3.045,1316 6.658,1317 5.283,1318 8.24,1319 7.261,1320 9.876,1322 3.807,1327 9.402,1328 5.294,1329 2.845,1332 -0.454,1334 -0.572,1340 26.664,1341 74.978,1342 131.243,1343 180.321,1344 211.624,1345 211.624,1346 211.624,1347 66.023,1348 6.1,1349 92.18,1350 120.42,1351 10,1352 12.232,1353 3,1354 2.459,1355 41.891,1356 64,1357 72,1358 0.313,1359 171.662,1360 299.76,1361 410.615,1362 2493,1364 16.165,1365 0.735,1366 0.632,1367 16.518,1368 13.91,1369 10.465,1370 0.455,1371 0.375,1372 7.794,1373 9.593,1374 7.493,1375 6.257,1376 10.873,1377 8.627,1378 9.487,1379 0.296,1380 0.227,1381 10.242,1382 7.277,1383 7.406,1384 0.185,1385 0.129,1386 8.061,1387 5.166,1388 5.83,1389 0.119,1390 0.079,1391 6.524,1392 3.872,1393 4.036,1394 0.079,1395 0.045,1396 4.48,1397 2.287,1398 0.474,1399 69.922,1400 0.263,1401 21.396,1402 0.911,1403 110,1404 342.104,1405 149.485,1406 345.448,1407 452.3,1408 318,1409 127,1410 304.761,1411 157.35,1412 319.634,1413 462.11,1414 299,1415 5.523}
{0 CHEMBL209863,1 1.545,2 13.486,3 4.194,4 17.59,5 136.814,6 7.533,7 0.308,8 4.239,9 4.361,10 3.822,11 3.798,12 5.336,13 3.778,14 4.802,15 4.983,16 4.197,17 4.2,18 5.882,19 4.164,20 5.097,21 5.309,22 4.297,23 4.39,24 6.151,25 4.326,26 5.209,27 5.44,28 4.233,29 4.439,30 6.202,31 4.336,32 5.264,33 5.514,34 4.202,35 4.48,36 6.153,37 4.354,38 5.267,39 5.515,40 4.188,41 4.479,42 6.168,43 4.339,44 5.276,45 5.55,46 4.116,47 4.341,48 6.214,49 4.211,50 5.114,51 5.394,52 3.945,53 4.088,54 6.216,55 3.992,56 0.019,57 1.062,58 12.328,59 5.854,60 8.274,61 7.497,62 0.253,63 1.762,64 24.506,65 9.466,66 24.329,67 12.605,68 0.4,69 2.244,70 35.375,71 13.192,72 57.953,73 17.344,74 0.481,75 2.271,76 40.91,77 15.408,78 79.484,79 20.825,80 0.579,81 2.26,82 44.187,83 16.46,84 77.608,85 23.025,86 0.453,87 2.42,88 43.699,89 17.313,90 61.794,91 24.14,92 0.459,93 2.405,94 46.713,95 16.431,96 80.135,97 22.915,98 0.847,99 2.291,100 42.599,101 13.524,102 122.829,103 16.864,104 17,105 55,106 0.246,107 0.559,108 0.702,109 0.762,110 0.782,111 0.782,112 3.588,113 0.918,114 -5.88,115 -5.74,116 -5.35,121 44.4,122 1,123 1,127 5,129 1,137 3,138 1,139 1,140 1,144 8,145 2,146 2,160 2,176 11,179 2,180 10,187 11,191 1,192 10,200 9,205 1,206 9,214 11,218 3,219 5,227 12,232 5,239 6,244 6,251 2,255 3,256 2,264 6,277 8,281 2158,282 23.792,283 23.792,284 23.792,285 23.792,286 23.792,287 21.34,288 30.767,289 13.911,290 24.285,291 19.22,292 19.22,293 19.22,294 19.22,295 19.22,296 15.526,297 36.33,298 6.6,299 20.058,300 4.432,301 2.466,302 1.567,303 1.187,304 1.06,305 1.06,306 4.296,312 1,313 1039,314 3.24,318 587.29,322 185.56,325 1.931,326 38.843,329 0.75,330 0.67,331 1,332 0.8,333 0.5,334 1,335 1,336 0.82,337 76,338 472,339 4.508,340 3.822,341 6.783,342 4.153,343 3.187,344 3.954,345 1.277,346 11.165,347 3.082,348 4.341,349 3.557,350 6.746,351 4.116,352 3.147,353 3.829,354 1.262,355 10.914,356 3.054,357 3.929,358 2.925,359 5.928,360 3.518,361 2.579,362 3.535,363 0.874,364 8.134,365 2.423,366 3.847,367 2.907,368 5.436,369 3.467,370 2.501,371 3.119,372 0.8,373 7.147,374 2.412,375 3.724,376 2.905,377 5.348,378 3.411,379 2.454,380 3.024,381 0.494,382 6.791,383 2.333,384 3.502,385 2.837,386 5.181,387 3.241,388 2.31,389 2.577,390 0.387,391 6.341,392 2.136,393 3.433,394 2.723,395 5.167,396 3.002,397 2.03,398 2.56,400 6.005,401 1.962,402 3.239,403 2.277,404 4.93,405 2.839,406 1.91,407 2.509,409 5.627,410 1.765,411 3.05,412 2.172,413 4.845,414 2.815,415 1.857,416 2.091,418 5.382,419 1.759,420 2.996,421 1.787,422 3.941,423 2.427,424 1.44,425 2,427 3.109,428 1.418,429 2.599,430 1.486,431 3.722,432 2.133,433 1.16,434 1.5,436 2.944,437 1.126,438 2.5,439 1.411,440 3.64,441 2,442 1,443 1.5,445 2.275,446 1,447 2.5,448 1.146,449 3.453,450 2,451 1,452 1.426,454 2.275,455 1,456 2.117,457 1.021,458 3.414,459 1.967,460 1,461 1.038,463 2.275,464 0.965,465 2,466 1,467 3.414,468 1.892,469 0.894,470 1,472 2.167,473 0.885,474 16.505,475 0.472,476 0.853,477 0.024,478 42.5,479 1.214,480 19.5,481 0.557,482 23,483 0.657,484 33.209,485 0.949,486 37.495,487 0.595,488 35.325,489 1.009,490 8.77,491 0.251,492 8.221,493 0.235,494 0.085,496 0.345,499 2,501 0.579,502 1.169,503 0.727,504 1.098,505 0.496,506 0.976,507 0.736,508 1.013,509 0.859,510 0.961,511 0.513,512 0.928,513 0.969,514 0.992,515 1.014,516 1.003,517 0.809,518 1.003,519 0.825,520 0.895,521 1.036,522 1.053,523 0.783,524 1.08,525 0.603,526 0.662,527 0.956,528 0.909,529 0.6,530 0.987,531 0.512,532 0.905,533 0.98,534 1.159,535 0.55,536 1.172,537 0.805,538 1.019,539 0.941,540 1.057,541 0.763,542 1.034,543 1.713,544 1.132,545 1.183,546 0.851,547 1.749,548 0.891,549 6.5,550 0.268,551 4.444,552 2.688,553 2.204,554 0.951,555 1.028,556 0.707,557 0.238,558 0.251,559 19639,560 54354,561 2.123,562 44.4,564 22,565 1,569 5,572 1.766,573 2,574 3.66,575 -0.794,582 97.357,583 1.545,584 3.511,585 4.41,586 4.791,587 4.918,588 4.918,589 3.021,590 4.283,591 5.103,592 3.886,593 2312.3,594 8.951,595 36914.6,600 376.569,601 1.366,602 5.067,603 0.167,604 0.009,605 0.081,606 0.046,607 0.041,608 0.018,609 0.021,610 0.016,611 0.007,612 0.008,613 0.412,614 0.33,615 0.63,616 0.504,617 190.54,618 -0.006,619 -0.17,620 0.06,621 -0.071,622 -0.014,623 -0.011,624 -0.009,625 -0.039,626 0.016,627 -0.002,628 0.049,629 0.011,630 -0.095,631 -0.007,632 -0.082,633 -0.035,634 -0.012,635 -0.046,636 -0.052,637 -0.042,638 -0.097,639 -0.077,640 -0.012,641 -0.091,642 -0.005,643 0.067,644 -0.024,645 0.055,646 -0.032,647 0.019,648 0.08,649 -0.088,650 -0.052,651 -0.161,652 -0.001,653 -0.145,654 -0.001,655 -0.191,656 0.058,657 -0.097,658 0.009,659 -0.028,660 -0.159,661 0.074,662 -0.054,663 0.111,664 -0.162,665 0.065,666 1.939,667 5.968,668 0.8,669 38.333,670 1.004,671 1.131,672 4.654,673 21.658,674 0.671,675 3.689,676 4.025,677 4.317,678 4.585,679 4.852,680 4.905,681 5.037,682 5.124,683 5.17,684 5.247,685 8.058,686 0.642,687 474.6,688 3.689,689 5.242,690 6.103,691 6.986,692 7.862,693 8.75,694 9.633,695 10.523,696 11.409,697 12.3,698 6.3,701 2,705 1,707 1,715 8,720 4,722 12,740 2,741 63,743 17,744 2,745 39,747 67,748 28,749 12,750 4,751 8,752 8,756 5,757 6,763 1,770 2,772 20,773 8,777 5,782 1,784 4,785 1,786 4,791 2,793 28,794 7,796 7,802 4,804 1,808 0.8,809 1,829 5,833 1,844 1,849 4,850 1,855 2,859 4,864 1,866 2,868 35,876 6,880 1,881 3,892 2,893 1.6,896 1,901 17.5,902 11.586,903 7.611,904 3.891,907 2.656,908 1.325,909 1.005,910 6.832,911 10.826,912 3.932,913 4.477,914 5.001,915 5.5,916 6.012,917 6.17,918 6.47,919 6.767,920 6.973,921 7.112,922 0.889,923 59,924 13.043,926 5.678,927 0.026,929 7.833,931 24.938,933 20.981,936 2.333,937 81.667,941 329.591,942 172.762,943 26.158,945 25.145,946 29.92,948 172.762,949 354.736,950 56.079,951 8.825,952 25.235,953 104.239,954 34.934,955 50.833,956 41.691,957 317.82,959 329.591,960 198.921,961 55.065,964 300.656,965 84,968 48.047,969 119.689,970 31.185,972 359.511,973 51.303,974 172.762,977 329.591,978 50.651,979 131.484,981 71.851,982 329.591,983 81.224,984 172.762,986 0.586,987 0.346,988 0.188,989 0.108,990 27,991 12,992 0.09,993 6,994 1,995 1.071,996 4.572,997 337.278,998 0.071,999 28,1000 153.525,1005 23.505,1006 10.173,1007 5.084,1009 81.224,1010 13.108,1015 1.422,1018 583.577,1019 50,1024 12.968,1026 7.325,1027 4.598,1028 2.207,1031 63.247,1032 71.28,1034 0.259,1035 0.587,1036 0.738,1037 0.801,1038 0.823,1039 0.823,1040 5.193,1041 1.91,1042 6.089,1043 6.005,1044 4.71,1045 5.165,1046 2.282,1047 6.909,1048 4.629,1049 6.384,1050 1.857,1051 7.654,1052 5.627,1053 4.29,1054 4.844,1055 1.182,1056 7.84,1057 4.138,1058 7.682,1059 1.44,1060 9.319,1061 5.382,1062 6.312,1063 7.242,1064 2.324,1065 10.956,1066 6.153,1067 9.01,1068 1.16,1069 11.046,1070 3.109,1071 6.711,1072 7.705,1073 1.717,1074 12.745,1075 6.495,1076 10.369,1077 1,1078 12.813,1079 2.944,1080 8.198,1081 9.583,1082 2.569,1083 15.394,1084 7.97,1085 11.749,1086 1,1087 14.609,1088 2.275,1089 8.983,1090 10.429,1091 2.21,1092 17.543,1093 8.713,1094 13.147,1095 1,1096 16.427,1097 2.275,1098 10.257,1099 12.068,1100 2.907,1101 20.036,1102 9.968,1103 3.187,1104 0.894,1105 18.263,1106 2.275,1107 11.233,1108 13.126,1109 2.705,1110 22.334,1111 10.91,1112 3.147,1113 11.165,1114 20.112,1115 2.167,1116 12.422,1117 14.64,1118 3.296,1119 24.77,1120 12.075,1121 2.579,1122 10.914,1123 21.972,1124 3.954,1125 13.489,1126 15.819,1127 3.203,1128 27.13,1129 13.111,1130 2.501,1131 8.134,1132 23.842,1133 3.829,1134 14.647,1135 17.264,1136 3.714,1137 29.545,1138 14.244,1139 2.454,1140 7.147,1141 25.719,1142 3.535,1143 15.758,1144 18.516,1145 3.7,1146 31.93,1147 15.324,1148 2.31,1149 6.791,1150 27.602,1151 3.119,1152 16.907,1153 19.922,1154 4.151,1155 34.338,1156 16.446,1157 2.03,1158 6.341,1159 29.49,1160 3.024,1161 18.038,1162 21.216,1163 4.195,1164 36.733,1165 17.547,1166 18232,1167 30485,1168 26.353,1169 42.25,1170 59.717,1171 60,1172 60.701,1173 58.552,1174 58.3,1175 72.896,1176 10.186,1177 168.737,1178 55.948,1179 5.508,1180 5.822,1181 6.465,1182 5.224,1183 5.187,1184 6.954,1185 2.405,1186 18.675,1187 5.082,1188 16.267,1189 1.531,1190 1.538,1191 1.556,1192 1.501,1193 1.495,1194 1.869,1195 0.261,1196 4.327,1197 1.435,1198 4.039,1199 4.079,1200 3.982,1201 3.951,1202 8.203,1203 3.952,1204 3.956,1205 3.992,1206 3.916,1207 3.83,1208 8.2,1209 3.846,1210 3.824,1211 3.852,1212 3.772,1213 3.751,1214 7.428,1215 3.75,1216 3.786,1217 3.852,1218 3.68,1219 3.612,1220 4.826,1221 3.618,1222 3.592,1223 3.639,1224 3.495,1225 3.491,1226 4.711,1227 3.487,1228 3.316,1229 3.393,1230 3.212,1231 3.133,1232 4.547,1233 3.138,1234 3.153,1235 3.211,1236 3.051,1237 2.987,1238 4.39,1239 2.983,1240 3.111,1241 3.206,1242 2.977,1243 2.941,1244 4.313,1245 2.91,1246 0.116,1247 0.098,1248 0.174,1249 0.106,1250 0.082,1251 4.508,1252 0.101,1253 3.822,1254 0.033,1255 6.783,1256 0.286,1257 4.153,1258 0.079,1259 3.187,1260 3.954,1261 1.277,1262 11.165,1263 3.082,1264 1.981,1265 1.953,1266 2.088,1267 2.096,1268 1.37,1269 2.096,1270 1.897,1271 1.861,1272 2.008,1273 2.048,1274 1.224,1275 2.035,1276 1.812,1277 1.787,1278 1.932,1279 1.943,1280 1.112,1281 1.945,1282 1.75,1283 1.685,1284 1.923,1285 1.907,1286 0.99,1287 1.912,1288 1.596,1289 1.551,1290 1.791,1291 1.73,1292 0.933,1293 1.753,1294 1.295,1295 1.218,1296 1.603,1297 1.522,1298 0.825,1299 1.55,1300 1.153,1301 1.064,1302 1.513,1303 1.376,1304 0.751,1305 1.429,1306 1.117,1307 1.062,1308 1.321,1309 1.334,1310 0.547,1311 1.331,1312 4.369,1314 5.7,1316 7.235,1318 8.861,1320 10.534,1322 1.9,1324 27.137,1328 4.748,1332 -0.074,1333 6.326,1340 40.415,1341 97.357,1342 221.185,1343 277.84,1344 301.814,1345 309.814,1346 309.814,1347 69.746,1348 8.17,1349 40.85,1350 40.85,1351 30,1352 12.829,1353 4.17,1354 3.585,1355 52.333,1356 174,1357 151,1358 0.147,1359 243.757,1360 445.25,1361 586.528,1362 43945,1363 3.2,1364 24.363,1365 0.696,1366 0.563,1367 22.623,1368 19.701,1369 16.991,1370 0.436,1371 0.306,1372 11.772,1373 16.33,1374 11.524,1375 9.465,1376 16.204,1377 11.936,1378 15.42,1379 0.28,1380 0.164,1381 14.176,1382 9.043,1383 13.278,1384 0.179,1385 0.093,1386 12.456,1387 6.856,1388 11.043,1389 0.114,1390 0.051,1391 10.739,1392 4.944,1393 9.309,1394 0.073,1395 0.028,1396 8.838,1397 3.606,1398 0.234,1399 106.39,1400 0.195,1401 32.399,1402 0.391,1403 188,1404 606.538,1405 207.229,1406 538.686,1407 724.95,1408 504,1409 223,1410 524.571,1411 242.192,1412 519.944,1413 764.62,1414 491,1415 5.494}
{0 CHEMBL209924,1 1.63,2 12.606,3 6.183,4 38.232,5 130.528,6 8.624,7 0.5,8 4.186,9 4.295,10 3.88,11 3.743,12 5.283,13 3.716,14 4.745,15 4.918,16 4.272,17 4.133,18 5.804,19 4.092,20 4.988,21 5.172,22 4.443,23 4.344,24 6.035,25 4.26,26 5.141,27 5.363,28 4.453,29 4.412,30 6.047,31 4.291,32 5.198,33 5.429,34 4.502,35 4.485,36 6.038,37 4.351,38 5.25,39 5.477,40 4.426,41 4.521,42 6.153,43 4.344,44 5.25,45 5.532,46 4.193,47 4.295,48 6.129,49 4.135,50 4.948,51 5.199,52 3.988,53 3.952,54 6.091,55 3.886,56 0.042,57 0.942,58 10.265,59 5.902,60 7.973,61 7.149,62 0.341,63 1.544,64 24.125,65 9.563,66 29.305,67 11.598,68 0.5,69 1.973,70 35.537,71 13.437,72 51.881,73 16.145,74 0.525,75 2.077,76 54.107,77 16.212,78 56.234,79 20.502,80 0.577,81 2.094,82 47.302,83 16.929,84 51.223,85 22.175,86 0.575,87 2.315,88 69.03,89 19.841,90 57.719,91 25.046,92 0.636,93 2.225,94 76.225,95 18.392,96 69.671,97 23.802,98 0.847,99 2.001,100 37.48,101 12.006,102 101.177,103 13.301,104 30,105 50,106 0.264,107 0.523,108 0.658,109 0.721,110 0.748,111 0.753,112 3.532,113 0.971,114 -5.77,115 -5.63,116 -5.25,119 1,121 43.3,126 2,127 5,129 1,144 10,145 3,146 5,176 9,180 5,187 12,191 2,192 8,200 10,206 8,214 8,218 1,219 4,227 8,231 1,232 5,239 4,244 6,251 2,255 1,264 6,268 1,277 12,281 1938,282 22.411,283 22.411,284 22.411,285 22.411,286 22.411,287 20.131,288 29.77,289 13.048,290 23.226,291 17.618,292 17.618,293 17.618,294 17.618,295 17.618,296 14.2,297 37.84,298 6.029,299 18.851,300 4.277,301 2.678,302 1.845,303 1.458,304 1.292,305 1.258,306 4.226,313 890,314 3.317,318 492.117,325 1.871,326 33.243,329 0.5,330 0.67,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.72,337 71.75,338 416,339 4.38,340 3.558,341 6.783,342 4.117,343 3.148,344 4.061,345 1.277,346 11.165,347 3.055,348 4.34,349 3.359,350 6.313,351 3.957,352 3.018,353 3.829,354 0.916,355 9.625,356 2.813,357 3.929,358 2.992,359 5.834,360 3.526,361 2.596,362 3.535,363 0.86,364 8.008,365 2.412,366 3.786,367 2.905,368 5.401,369 3.467,370 2.501,371 3.108,372 0.86,373 6.93,374 2.408,375 3.704,376 2.872,377 5.348,378 3.329,379 2.401,380 3.022,381 0.494,382 6.791,383 2.212,384 3.447,385 2.738,386 5.15,387 3.165,388 2.251,389 2.536,390 0.172,391 6.277,392 2.035,393 3.239,394 2.316,395 4.929,396 2.815,397 1.894,398 2.509,400 5.613,401 1.759,402 3.103,403 2.198,404 4.845,405 2.804,406 1.857,407 2.268,409 5.382,410 1.696,411 2.956,412 2.172,413 4.612,414 2.626,415 1.712,416 2.012,418 4.805,419 1.525,420 2.5,421 1.729,422 3.731,423 2,424 1.037,425 1.5,427 2.384,428 1,429 2.5,430 1.146,431 3.595,432 2,433 1,434 1.5,436 2.275,437 1,438 2.148,439 1.051,440 3.414,441 1.967,442 1,443 1.118,445 2.275,446 0.965,447 2,448 1.004,449 3.414,450 1.869,451 1,452 1,454 2.275,455 0.801,456 1.828,457 1,458 3.414,459 1.586,460 0.638,461 0.733,463 1.689,464 0.597,465 1.492,466 1,467 2.903,468 1.232,469 0.383,470 0.413,472 0.541,473 0.319,474 16.371,475 0.496,476 0.78,477 0.024,478 40,479 1.212,480 19,481 0.576,482 21,483 0.636,484 33.258,485 1.008,486 35.829,487 0.597,488 30.937,489 0.937,490 8.18,491 0.248,492 7.798,493 0.236,494 0.177,496 0.324,499 2,501 0.657,502 1.122,503 0.515,504 0.989,505 0.527,506 0.958,507 1.017,508 0.9,509 0.607,510 0.739,511 0.6,512 0.794,513 0.91,514 1.029,515 0.874,516 0.989,517 0.836,518 1.045,519 0.699,520 0.915,521 1.032,522 1.098,523 0.623,524 1.085,525 0.538,526 0.718,527 0.673,528 0.865,529 0.343,530 0.975,531 0.51,532 0.95,533 1.495,534 1.336,535 0.571,536 1.316,537 0.741,538 0.961,539 1.235,540 1.089,541 0.651,542 0.984,543 1.914,544 1.293,545 0.516,546 0.73,547 2.175,548 0.84,549 7,550 0.194,551 4,552 2.375,553 2.231,554 0.847,555 0.987,556 0.675,557 0.28,558 0.351,559 15324,560 47815,561 2.061,562 45,564 27,572 1.754,573 1.922,574 3.588,575 -0.781,582 97.82,583 1.63,584 3.229,585 4.061,586 4.448,587 4.615,588 4.648,589 3.024,590 4.173,591 5.015,592 3.793,593 2002.55,594 8.791,595 30274.8,600 354.413,601 1.434,602 4.971,603 0.194,604 0.006,605 0.08,606 0.044,607 0.044,608 0.016,609 0.021,610 0.017,611 0.008,612 0.012,613 0.442,614 0.33,615 0.75,616 0.81,617 175.578,618 -0.012,619 -0.144,620 0.012,621 -0.076,622 -0.013,623 -0.021,624 -0.141,625 0.047,626 0.019,627 0.14,628 0.021,629 0.117,630 -0.04,631 -0.017,632 -0.036,633 -0.038,634 -0.007,635 -0.093,636 -0.011,637 -0.06,638 -0.028,639 -0.113,640 -0.018,641 -0.085,642 0.015,643 0.017,644 0.061,645 0.054,646 -0.004,647 0.02,648 0.067,649 -0.132,650 -0.151,651 -0.262,652 -0.021,653 -0.273,654 0.023,655 -0.155,656 -0.052,657 -0.088,658 0.057,659 0.042,660 -0.25,661 0.062,662 -0.01,663 0.131,664 -0.223,665 0.061,666 1.929,667 5.55,668 0.727,669 35.84,670 1.008,671 1.129,672 4.54,673 20.616,674 0.68,675 3.611,676 3.932,677 4.205,678 4.454,679 4.727,680 4.754,681 4.898,682 4.99,683 5.024,684 5.153,685 7.542,686 0.644,687 517.45,688 3.611,689 5.153,690 6.004,691 6.88,692 7.75,693 8.63,694 9.507,695 10.388,696 11.268,697 12.151,698 3.3,701 2,715 10,720 8,722 18,739 2,740 3,741 60,743 18,744 3,745 36,746 1,747 63,748 26,749 18,750 8,751 10,756 4,757 4,770 1,772 18,773 8,791 2,793 27,794 6,796 7,797 1,802 2,808 1,809 2,829 4,855 2,859 4,863 1,864 2,866 2,868 33,876 5,878 2,880 1,881 2,892 3,893 3.3,898 2,901 17.167,902 11.329,903 7.389,904 3.452,907 2.219,908 1.288,909 0.979,910 7.894,911 9.912,912 3.829,913 4.401,914 4.925,915 5.436,916 5.977,917 6.047,918 6.279,919 6.529,920 6.706,921 6.981,922 1,923 54,924 12.236,926 5.159,927 0.026,929 7.801,931 23.424,933 19.178,936 2.301,937 75.917,941 317.82,942 168.398,943 52.203,945 22,946 29.92,948 214.352,949 339.82,950 36.169,951 21.766,952 10.529,953 94.762,955 69.589,956 29.92,957 317.82,958 45.954,959 317.82,960 174.646,961 51.92,963 45.954,964 347.74,965 22,968 16.777,969 157.869,971 45.954,972 347.74,973 28.248,974 214.352,977 317.82,978 51.869,979 122.777,980 45.954,981 51.92,982 317.82,983 58.169,984 214.352,986 0.579,987 0.345,988 0.185,989 0.11,990 23,991 11,992 0.111,993 7,995 1,996 4.32,997 304.946,999 24,1000 140.465,1005 23.997,1006 10.856,1007 5.682,1009 58.169,1010 17.138,1015 4.997,1018 590.34,1019 45,1031 60.483,1032 67.749,1034 0.276,1035 0.547,1036 0.688,1037 0.753,1038 0.781,1039 0.787,1040 5.072,1041 1.857,1042 5.989,1043 5.613,1044 4.615,1045 5.088,1046 2.132,1047 6.795,1048 4.49,1049 6.261,1050 1.712,1051 7.547,1052 5.382,1053 4.205,1054 4.844,1055 1.057,1056 7.698,1057 3.969,1058 7.558,1059 1.037,1060 9.201,1061 4.805,1062 6.209,1063 7.214,1064 1.992,1065 10.781,1066 5.988,1067 8.885,1068 1,1069 10.913,1070 2.384,1071 6.594,1072 7.736,1073 1.524,1074 12.522,1075 6.273,1076 10.242,1077 1,1078 12.662,1079 2.275,1080 8.068,1081 9.606,1082 2.064,1083 15.138,1084 7.759,1085 11.617,1086 1,1087 14.437,1088 2.275,1089 8.827,1090 10.494,1091 1.926,1092 17.249,1093 8.437,1094 13.008,1095 0.638,1096 16.234,1097 2.275,1098 10.087,1099 12.141,1100 2.293,1101 19.71,1102 9.694,1103 3.148,1104 0.383,1105 18.047,1106 1.689,1107 11.032,1108 13.23,1109 2.339,1110 21.984,1111 10.577,1112 3.018,1113 11.165,1114 19.873,1115 0.541,1116 12.204,1117 14.759,1118 2.63,1119 24.395,1120 11.733,1121 2.596,1122 9.625,1123 21.711,1124 4.061,1125 13.241,1126 15.965,1127 2.774,1128 26.74,1129 12.722,1130 2.501,1131 8.008,1132 23.559,1133 3.829,1134 14.379,1135 17.429,1136 3.035,1137 29.138,1138 13.837,1139 2.401,1140 6.93,1141 25.416,1142 3.535,1143 15.462,1144 18.706,1145 3.228,1146 31.513,1147 14.879,1148 2.251,1149 6.791,1150 27.279,1151 3.108,1152 16.59,1153 20.133,1154 3.477,1155 33.91,1156 15.98,1157 1.894,1158 6.277,1159 29.148,1160 3.022,1161 17.696,1162 21.453,1163 3.696,1164 36.301,1165 17.051,1166 14750,1167 26166,1168 23.868,1169 40.807,1170 53.29,1171 54.618,1172 56.04,1173 53.423,1174 53.183,1175 66.633,1176 9.158,1177 152.672,1178 49.45,1179 5.38,1180 5.558,1181 6.325,1182 5.185,1183 5.148,1184 7.061,1185 2.137,1186 17.921,1187 5.055,1188 17.745,1189 1.48,1190 1.517,1191 1.557,1192 1.484,1193 1.477,1194 1.851,1195 0.254,1196 4.241,1197 1.374,1198 4.037,1199 4.073,1200 6.88,1201 3.955,1202 8.203,1203 3.955,1204 3.937,1205 3.954,1206 3.971,1207 3.881,1208 8.2,1209 3.872,1210 3.824,1211 3.852,1212 3.825,1213 3.751,1214 4.928,1215 3.75,1216 3.748,1217 3.806,1218 3.772,1219 3.566,1220 4.712,1221 3.575,1222 3.342,1223 3.397,1224 3.639,1225 3.132,1226 4.547,1227 3.147,1228 3.248,1229 3.313,1230 3.23,1231 3.032,1232 4.496,1233 3.027,1234 3.198,1235 3.259,1236 3.063,1237 2.963,1238 4.388,1239 2.966,1240 3.111,1241 3.206,1242 3.025,1243 2.941,1244 4.241,1245 2.91,1246 0.122,1247 0.099,1248 0.188,1249 0.114,1250 0.087,1251 4.38,1252 0.113,1253 3.558,1254 0.035,1255 6.783,1256 0.31,1257 4.117,1258 0.085,1259 3.148,1260 4.061,1261 1.277,1262 11.165,1263 3.055,1264 1.982,1265 1.954,1266 2.088,1267 2.095,1268 1.364,1269 2.096,1270 1.903,1271 1.889,1272 1.987,1273 2.005,1274 1.206,1275 2.006,1276 1.812,1277 1.787,1278 1.923,1279 1.907,1280 1.095,1281 1.912,1282 1.707,1283 1.644,1284 1.877,1285 1.896,1286 0.99,1287 1.896,1288 1.276,1289 1.221,1290 1.58,1291 1.545,1292 0.825,1293 1.556,1294 1.191,1295 1.116,1296 1.572,1297 1.521,1298 0.682,1299 1.537,1300 1.153,1301 1.091,1302 1.513,1303 1.378,1304 0.574,1305 1.429,1306 1.148,1307 1.064,1308 1.394,1309 1.376,1310 0.559,1311 1.389,1312 4.29,1314 5.609,1316 7.13,1318 8.739,1320 10.392,1321 3.652,1322 3.265,1324 27.1,1328 4.209,1330 10.837,1332 -0.054,1333 4.773,1340 38.639,1341 97.82,1342 193.733,1343 243.684,1344 266.904,1345 276.904,1346 278.904,1347 65.154,1348 7.693,1349 24.94,1350 24.94,1351 24,1352 12.686,1353 4.248,1354 3.322,1355 54.339,1356 150,1357 148,1358 0.176,1359 240.142,1360 423.46,1361 577.708,1362 22020,1363 5,1364 23.372,1365 0.708,1366 0.616,1367 22.631,1368 20.317,1369 15.978,1370 0.444,1371 0.324,1372 10.712,1373 14.694,1374 10.381,1375 8.56,1376 15.768,1377 11.652,1378 14.179,1379 0.284,1380 0.179,1381 13.677,1382 8.971,1383 12.082,1384 0.183,1385 0.103,1386 11.967,1387 6.828,1388 9.738,1389 0.115,1390 0.056,1391 10.009,1392 4.79,1393 8.493,1394 0.076,1395 0.033,1396 8.749,1397 3.739,1398 0.278,1399 109.389,1400 0.205,1401 30.704,1402 0.478,1403 172,1404 595.638,1405 255.786,1406 553.86,1407 725.76,1408 518,1409 202,1410 483.068,1411 253.711,1412 494.162,1413 720.49,1414 461,1415 5.994}
{0 CHEMBL210453,1 1.301,2 15.949,3 7.441,4 55.366,5 162.537,6 6.161,7 0.256,8 4.505,9 4.643,10 3.912,11 4.056,12 5.396,13 3.988,14 5.124,15 5.327,16 4.273,17 4.505,18 5.936,19 4.4,20 5.456,21 5.701,22 4.441,23 4.719,24 6.223,25 4.592,26 5.584,27 5.836,28 4.451,29 4.759,30 6.394,31 4.624,32 5.613,33 5.87,34 4.351,35 4.761,36 6.416,37 4.594,38 5.666,39 5.962,40 4.114,41 4.699,42 6.363,43 4.486,44 5.51,45 5.814,46 3.894,47 4.566,48 6.127,49 4.328,50 5.434,51 5.768,52 3.757,53 4.422,54 5.977,55 4.171,56 0.098,57 1.201,58 21.131,59 8.918,60 12.756,61 12.643,62 0.353,63 2.042,64 38.987,65 15.428,66 33.931,67 22.33,68 0.346,69 2.709,70 53.709,71 20.405,72 38.152,73 30.118,74 0.572,75 2.933,76 61.746,77 22.008,78 64.107,79 32.355,80 0.611,81 2.975,82 63.154,83 23.129,84 69.123,85 33.97,86 0.638,87 2.897,88 65.604,89 24.031,90 72.441,91 35.092,92 0.414,93 2.554,94 55.224,95 21.073,96 45.593,97 31.259,98 0.394,99 2.244,100 50.509,101 19.652,102 39.983,103 28.907,104 22,105 60,106 0.196,107 0.491,108 0.725,109 0.858,110 0.889,111 0.896,112 3.692,113 1.071,114 -6.1,115 -5.95,116 -5.53,121 39.5,122 2,123 12,124 1,125 1,126 1,127 2,129 1,137 2,138 2,144 4,145 2,146 1,148 2,160 1,176 23,179 1,180 6,185 6,187 28,192 10,197 6,200 23,206 8,209 1,211 9,214 21,219 8,222 2,224 6,227 18,232 1,237 4,239 22,244 3,251 21,256 3,260 1,264 21,269 3,277 17,281 2843,282 26.946,283 26.946,284 26.946,285 26.946,286 26.946,287 24.873,288 31.748,289 16.141,290 27.28,291 21.143,292 21.143,293 21.143,294 21.143,295 21.143,296 18.068,297 41.999,298 7.481,299 21.544,300 5.126,301 3.174,302 1.623,303 0.742,304 0.538,305 0.491,306 4.401,313 1364,314 4.637,318 551.313,320 162.546,322 351.283,325 2.171,326 27.454,329 0.5,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.68,337 81.5,338 622,339 4.775,340 4.256,341 8.003,342 4.664,343 3.665,344 4.564,345 2.496,346 15.329,347 3.657,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 3.977,354 1.002,355 11.348,356 3.162,357 3.914,358 3.316,359 6.041,360 3.55,361 2.558,362 3.437,363 0.68,364 8.37,365 2.534,366 3.789,367 2.669,368 5.982,369 3.524,370 2.532,371 2.999,372 0.4,373 8.367,374 2.512,375 3.526,376 2.628,377 5.381,378 3.297,379 2.325,380 2.893,381 0.4,382 6.858,383 2.26,384 3.522,385 2.527,386 5.364,387 3.136,388 2.182,389 2.686,390 0.371,391 6.711,392 2.089,393 3.368,394 2.491,395 5.105,396 3.096,397 2.101,398 2.39,400 5.997,401 2.079,402 2.941,403 2.356,404 4.899,405 2.86,406 1.865,407 2.142,409 4.491,410 1.855,411 2.914,412 1.906,413 4.116,414 2.634,415 1.669,416 1.9,418 3.814,419 1.586,420 2.882,421 1.718,422 3.987,423 2.552,424 1.573,425 1.888,427 3.418,428 1.538,429 2.642,430 1.551,431 3.908,432 2.497,433 1.506,434 1.67,436 3.329,437 1.492,438 2.545,439 1.461,440 3.792,441 2.345,442 1.347,443 1.546,445 3.141,446 1.343,447 2.486,448 1.449,449 3.616,450 2.242,451 1.247,452 1.484,454 2.902,455 1.24,456 2.304,457 1.398,458 3.594,459 2.141,460 1.174,461 1.239,463 2.597,464 1.132,465 2.129,466 1.35,467 3.466,468 1.935,469 0.953,470 1.07,472 2.123,473 0.932,474 18.867,475 0.484,476 0.792,477 0.02,478 37.75,479 0.968,480 14,481 0.359,482 23.75,483 0.609,484 51.59,485 1.323,486 44.133,487 0.513,488 26.219,489 0.672,490 6.231,491 0.16,492 12.821,493 0.329,494 0.097,495 0.027,496 0.265,501 0.812,502 1.292,503 0.991,504 1.182,505 0.634,506 1.111,507 0.845,508 1.154,509 1,510 1.068,511 0.598,512 1.048,513 0.828,514 1.131,515 0.943,516 1.049,517 0.748,518 1.005,519 1.443,520 1.066,521 1.068,522 1.012,523 1.532,524 1.008,525 1.181,526 1.145,527 1.167,528 1.164,529 1.122,530 1.162,531 1.434,532 0.914,533 1.095,534 0.94,535 1.5,536 0.989,537 0.788,538 1.003,539 1.088,540 1.064,541 0.738,542 1.092,543 0.597,544 0.779,545 0.828,546 0.843,547 0.611,548 0.855,549 7,550 0.136,551 4.444,552 3.188,553 2.787,554 1.389,555 0.583,556 0.311,557 0.238,558 0.188,559 29815,560 55951,561 2.104,562 54.7,563 21,564 14,567 2,568 2,569 8,572 1.784,573 1.991,574 3.813,575 0.034,582 111.864,583 1.301,584 3.253,585 4.803,586 5.685,587 5.888,588 5.935,589 3.057,590 4.721,591 5.269,592 4.128,593 3059.09,594 9.225,595 58262.9,600 552.659,601 1.407,602 5.222,603 0.163,604 0.005,605 0.074,606 0.046,607 0.042,608 0.024,609 0.013,610 0.009,611 0.008,612 0.006,613 0.39,614 0.17,615 0.5,616 0.828,617 224.981,618 0.009,619 -0.027,620 0.06,621 0.014,622 0.021,623 0.038,624 0.1,625 -0.012,626 0.028,627 0.027,628 0.096,629 0.022,630 0.029,631 -0.05,632 0.06,633 -0.015,634 0.048,635 0.021,636 -0.073,637 -0.024,638 -0.031,639 -0.021,640 -0.059,641 -0.023,642 -0.001,643 -0.113,644 -0.151,645 -0.168,646 0.027,647 -0.17,648 -0.162,649 0.013,650 -0.1,651 0.012,652 -0.147,653 -0.034,654 -0.072,655 -0.047,656 -0.134,657 -0.098,658 -0.084,659 -0.116,660 0.053,661 0.101,662 0.1,663 0.097,664 0.024,665 0.102,666 1.728,667 5.961,668 0.59,669 42.675,670 0.981,671 1.128,672 4.873,673 23.749,674 0.636,675 3.784,676 4.111,677 4.443,678 4.771,679 5.037,680 5.124,681 5.193,682 5.242,683 5.204,684 5.043,685 10.094,686 0.582,687 529.84,688 3.784,689 5.333,690 6.205,691 7.107,692 8.005,693 8.922,694 9.83,695 10.752,696 11.665,697 12.591,698 3.5,700 1,703 1,708 1,714 2,715 4,716 1,720 3,722 11,734 1,741 86,743 14,744 1,745 43,747 90,748 34,749 9,750 2,751 4,756 5,757 9,763 2,764 1,766 1,767 8,768 1,770 13,772 14,773 20,774 1,777 3,782 1,784 2,786 3,793 47,794 5,795 2,796 5,802 3,808 0.4,809 2,822 1,829 5,831 1,833 2,846 1,849 2,850 2,853 1,859 2,864 3,868 39,876 14,877 2,878 1,880 2,882 1,893 2.3,896 1,898 1,901 19.583,902 15.95,903 8.806,904 5.94,907 2.779,908 1.321,909 0.961,910 9.329,911 11.448,912 3.961,913 4.494,914 5.053,915 5.614,916 6.16,917 6.441,918 6.761,919 7.057,920 7.312,921 7.108,922 0.9,923 69,924 14.594,926 6.205,927 0.026,929 7.417,931 29.373,933 25.336,936 1.917,937 74.75,941 529.7,942 146.995,943 52.807,945 36.145,948 146.995,949 565.844,950 52.807,951 28.533,952 34.626,953 74.868,954 67.133,955 30.787,957 529.7,959 529.7,960 199.802,961 36.145,964 435.531,965 130.314,968 75.188,969 70.866,970 53.749,972 529.7,973 88.952,974 146.995,977 529.7,978 61.604,979 85.391,980 36.022,981 52.93,982 529.7,983 88.952,984 146.995,986 0.569,987 0.35,988 0.209,989 0.12,990 28,991 12,992 0.133,993 12,994 4,995 1.304,996 4.966,997 376.877,998 0.348,999 22,1000 206.131,1005 28.213,1006 12.895,1007 6.065,1008 2.401,1009 88.952,1010 8.591,1011 4.966,1015 4.105,1017 36.022,1018 765.647,1019 51.5,1024 12.961,1026 4.546,1028 2.529,1031 84.399,1032 97.048,1034 0.202,1035 0.506,1036 0.747,1037 0.885,1038 0.916,1039 0.924,1040 5.23,1041 1.865,1042 6.201,1043 5.997,1044 4.796,1045 5.182,1046 2.733,1047 7.096,1048 4.763,1049 6.414,1050 1.669,1051 7.808,1052 4.491,1053 4.443,1054 5.037,1055 2.243,1056 8.408,1057 4.411,1058 7.736,1059 1.573,1060 9.543,1061 3.814,1062 6.475,1063 7.334,1064 3.993,1065 11.582,1066 6.422,1067 9.101,1068 1.506,1069 11.363,1070 3.418,1071 7.04,1072 8.082,1073 4.356,1074 13.844,1075 6.992,1076 10.51,1077 1.347,1078 13.245,1079 3.329,1080 8.543,1081 9.872,1082 5.629,1083 16.646,1084 8.482,1085 11.95,1086 1.247,1087 15.171,1088 3.141,1089 9.529,1090 11.025,1091 6.304,1092 19.227,1093 9.473,1094 13.414,1095 1.174,1096 17.13,1097 2.902,1098 10.859,1099 12.63,1100 7.381,1101 21.956,1102 10.796,1103 3.665,1104 0.953,1105 19.115,1106 2.597,1107 12.022,1108 13.969,1109 8.185,1110 24.634,1111 11.962,1112 3.226,1113 15.329,1114 21.12,1115 2.123,1116 13.304,1117 15.505,1118 9.176,1119 27.354,1120 13.241,1121 2.558,1122 11.348,1123 23.14,1124 4.564,1125 14.538,1126 16.931,1127 10.038,1128 30.064,1129 14.476,1130 2.532,1131 8.37,1132 25.172,1133 3.977,1134 15.812,1135 18.443,1136 10.989,1137 32.786,1138 15.749,1139 2.325,1140 8.367,1141 27.213,1142 3.437,1143 17.075,1144 19.91,1145 11.878,1146 35.507,1147 17.012,1148 2.182,1149 6.858,1150 29.262,1151 2.999,1152 18.352,1153 21.416,1154 12.81,1155 38.232,1156 18.289,1157 2.101,1158 6.711,1159 31.316,1160 2.893,1161 19.628,1162 22.903,1163 13.713,1164 40.957,1165 19.565,1166 27712,1167 38088,1168 29.008,1169 54.677,1170 63.564,1171 64.718,1172 66.902,1173 62.689,1174 62.762,1175 74.963,1176 10.698,1177 183.647,1178 61.63,1179 5.775,1180 6.256,1181 7.911,1182 5.704,1183 5.665,1184 7.564,1185 4.25,1186 23.59,1187 5.657,1188 17.801,1189 1.478,1190 1.505,1191 1.556,1192 1.458,1193 1.46,1194 1.743,1195 0.249,1196 4.271,1197 1.433,1198 4.122,1199 4.154,1200 4.078,1201 4.048,1202 7.432,1203 4.051,1204 4.041,1205 4.073,1206 3.972,1207 3.969,1208 4.973,1209 3.965,1210 3.772,1211 3.837,1212 3.624,1213 3.655,1214 4.614,1215 3.64,1216 3.732,1217 3.781,1218 3.606,1219 3.639,1220 4.461,1221 3.622,1222 3.597,1223 3.674,1224 3.447,1225 3.432,1226 4.413,1227 3.424,1228 3.485,1229 3.539,1230 3.393,1231 3.356,1232 4.29,1233 3.344,1234 3.446,1235 3.496,1236 3.302,1237 3.268,1238 4.231,1239 3.254,1240 3.415,1241 3.472,1242 3.252,1243 3.222,1244 4.182,1245 3.242,1246 0.111,1247 0.099,1248 0.186,1249 0.108,1250 0.085,1251 4.775,1252 0.106,1253 4.256,1254 0.058,1255 8.003,1256 0.356,1257 4.664,1258 0.085,1259 3.665,1260 4.564,1261 2.496,1262 15.329,1263 3.657,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.537,1269 2.163,1270 2.023,1271 1.994,1272 2.156,1273 2.122,1274 1.437,1275 2.135,1276 1.782,1277 1.719,1278 2.029,1279 1.946,1280 1.385,1281 1.978,1282 1.754,1283 1.708,1284 1.949,1285 1.872,1286 1.173,1287 1.902,1288 1.592,1289 1.52,1290 1.848,1291 1.797,1292 1.127,1293 1.818,1294 1.494,1295 1.435,1296 1.759,1297 1.664,1298 1.002,1299 1.696,1300 1.43,1301 1.359,1302 1.718,1303 1.641,1304 0.866,1305 1.662,1306 1.357,1307 1.325,1308 1.617,1309 1.625,1310 0.832,1311 1.625,1312 4.466,1314 5.79,1316 7.339,1318 9.013,1320 10.76,1322 5.769,1328 15.711,1329 7.61,1330 5.318,1332 0.72,1334 -0.477,1340 50.083,1341 111.864,1342 279.734,1343 413.071,1344 488.884,1345 506.394,1346 510.394,1347 79.263,1348 8.669,1349 63.25,1350 63.25,1351 30,1352 13.099,1353 3.907,1354 3.248,1355 62.277,1356 251,1357 152,1358 0.119,1359 304.899,1360 542.62,1361 735.714,1362 101205,1364 27.244,1365 0.699,1366 0.623,1367 27.244,1368 24.282,1369 19.052,1370 0.443,1371 0.357,1372 15.244,1373 18.635,1374 14.787,1375 12.307,1376 19.052,1377 15.356,1378 16.537,1379 0.276,1380 0.201,1381 16.537,1382 12.036,1383 14.371,1384 0.171,1385 0.111,1386 14.371,1387 9.296,1388 12.729,1389 0.109,1390 0.065,1391 12.729,1392 7.61,1393 10.716,1394 0.07,1395 0.037,1396 10.716,1397 5.658,1398 0.199,1399 117.321,1400 0.186,1401 36.135,1402 0.298,1403 206,1404 435.782,1405 216.698,1406 426.68,1407 598.27,1408 404,1409 247,1410 445.097,1411 258.311,1412 456.586,1413 675.65,1414 431,1415 8.194}
{0 CHEMBL2113367,1 1.379,2 17.311,3 9.272,4 85.961,5 191.792,6 7.142,7 0.431,8 4.574,9 4.705,10 4.12,11 4.177,12 5.483,13 4.115,14 5.182,15 5.376,16 4.522,17 4.635,18 6.024,19 4.541,20 5.51,21 5.743,22 4.636,23 4.832,24 6.308,25 4.704,26 5.59,27 5.851,28 4.614,29 4.827,30 6.364,31 4.687,32 5.57,33 5.823,34 4.536,35 4.836,36 6.308,37 4.683,38 5.633,39 5.901,40 4.534,41 4.855,42 6.331,43 4.672,44 5.642,45 5.925,46 4.433,47 4.807,48 6.319,49 4.6,50 5.541,51 5.827,52 4.361,53 4.685,54 6.233,55 4.475,56 0.086,57 1.287,58 20.186,59 8.705,60 11.105,61 12.337,62 0.237,63 2.227,64 40.184,65 15.661,66 26.15,67 22.445,68 0.396,69 2.927,70 60.925,71 21.862,72 44.287,73 31.353,74 0.63,75 3.13,76 66.207,77 22.872,78 57.134,79 33.332,80 0.485,81 3.09,82 61.825,83 22.665,84 44.394,85 32.92,86 0.479,87 3.122,88 68.587,89 25.833,90 47.62,91 37.105,92 0.51,93 3.029,94 75.473,95 26.258,96 51.43,97 37.299,98 0.519,99 2.666,100 73.289,101 24.08,102 50.729,103 33.837,104 17,105 73,106 0.204,107 0.509,108 0.714,109 0.83,110 0.866,111 0.876,112 3.832,113 1.044,114 -6.93,115 -6.74,116 -6.24,121 42.2,122 1,123 10,124 2,126 1,127 4,137 1,138 1,144 6,145 4,146 4,148 4,176 18,180 10,185 6,187 29,192 7,197 5,200 19,206 8,209 3,211 9,214 25,219 1,222 1,224 3,227 21,232 5,237 5,239 29,244 5,249 2,251 17,255 1,256 7,264 14,268 1,269 6,273 1,277 8,281 4333,282 30.825,283 30.825,284 30.825,285 30.825,286 30.825,287 27.94,288 38.124,289 18.246,290 31.436,291 25.289,292 25.289,293 25.289,294 25.289,295 25.289,296 20.716,297 43.642,298 8.795,299 26.378,300 5.113,301 3.053,302 1.667,303 0.883,304 0.639,305 0.572,306 4.556,308 2,313 1764,314 4.416,318 741.202,320 134.207,322 728.753,324 208.463,325 2.324,326 26.244,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.49,337 93.167,338 779,339 4.686,340 3.508,341 6.986,342 4.303,343 3.319,344 4.594,345 0.8,346 11.934,347 3.265,348 4.651,349 3.373,350 6.833,351 4.214,352 3.235,353 4.582,354 0.68,355 11.364,356 3.165,357 4.143,358 3.064,359 6.24,360 3.826,361 2.84,362 3.624,363 0.4,364 9.32,365 2.801,366 3.99,367 2.943,368 6.004,369 3.58,370 2.61,371 3.534,372 0.4,373 8.477,374 2.532,375 3.814,376 2.858,377 5.569,378 3.417,379 2.453,380 3.131,382 7.471,383 2.37,384 3.584,385 2.709,386 5.427,387 3.307,388 2.381,389 2.961,391 6.886,392 2.205,393 3.568,394 2.562,395 5.39,396 3.199,397 2.25,398 2.926,400 6.847,401 2.162,402 3.408,403 2.546,404 5.126,405 3.188,406 2.226,407 2.725,409 6.141,410 2.097,411 3.38,412 2.457,413 5.035,414 3.012,415 2.083,416 2.699,418 6.088,419 1.907,420 3.363,421 2.27,422 4.899,423 2.882,424 1.982,425 2.38,427 5.573,428 1.773,429 3.011,430 2.136,431 4.836,432 2.838,433 1.879,434 2.045,436 5.356,437 1.705,438 2.889,439 1.934,440 4.666,441 2.677,442 1.703,443 1.914,445 4.873,446 1.64,447 2.747,448 1.793,449 4.121,450 2.618,451 1.643,452 1.786,454 3.578,455 1.572,456 2.66,457 1.56,458 4.041,459 2.436,460 1.454,461 1.695,463 3.4,464 1.422,465 2.577,466 1.461,467 3.956,468 2.397,469 1.418,470 1.589,472 3.341,473 1.383,474 22.429,475 0.498,476 1.092,477 0.024,478 50.75,479 1.128,480 22,481 0.489,482 28.75,483 0.639,484 57.186,485 1.271,486 48.371,487 0.537,488 36.983,489 0.822,490 8.608,491 0.191,492 13.316,493 0.296,494 0.108,496 0.352,501 0.763,502 1.268,503 0.699,504 0.99,505 0.676,506 0.966,507 0.906,508 1.137,509 0.74,510 0.927,511 0.599,512 0.939,513 1.009,514 1.138,515 0.894,516 0.997,517 0.923,518 0.989,519 0.881,520 0.999,521 0.78,522 0.91,523 0.761,524 0.928,525 0.987,526 1.016,527 0.814,528 0.955,529 0.888,530 1.026,531 0.639,532 1.061,533 0.772,534 1.022,535 0.668,536 1.045,537 0.985,538 0.987,539 1.005,540 1.017,541 1.031,542 1.034,543 1.103,544 0.976,545 1.153,546 1.031,547 1.112,548 1.004,549 8.5,550 0.289,551 4.222,552 3.688,553 3.053,554 1.486,555 0.986,556 0.696,557 0.563,558 0.405,559 45209,560 96970,561 2.172,562 50,563 15,564 18,567 2,568 4,569 4,570 2,572 1.822,573 2.061,574 3.933,575 0.027,582 124.103,583 1.379,584 3.439,585 4.825,586 5.608,587 5.853,588 5.92,589 3.171,590 5.359,591 5.474,592 4.24,593 4197.82,594 9.655,595 86740.7,600 584.267,601 1.312,602 5.436,603 0.167,604 0.007,605 0.058,606 0.047,607 0.041,608 0.022,609 0.015,610 0.013,611 0.011,612 0.009,613 0.388,614 0.33,615 0.5,616 0.432,617 268.96,618 0.002,619 -0.068,620 0.037,621 0.014,622 0.031,623 0.039,624 -0.032,625 -0.01,626 0.044,627 0.047,628 0.143,629 0.044,630 -0.046,631 -0.08,632 -0.014,633 -0.027,634 -0.005,635 -0.011,636 0.101,637 0.047,638 0.043,639 0.027,640 0.113,641 0.03,642 -0.103,643 0.043,644 -0.054,645 -0.018,646 -0.111,647 -0.065,648 0.08,649 -0.081,650 0.031,651 -0.051,652 0.05,653 -0.056,654 -0.058,655 -0.038,656 -0.033,657 -0.033,658 -0.103,659 -0.045,660 -0.015,661 -0.052,662 -0.024,663 -0.027,664 -0.046,665 -0.009,666 0.914,667 2.282,668 0.689,669 53.838,670 0.986,671 1.123,672 5.7,673 32.494,674 0.675,675 3.951,676 4.304,677 4.615,678 4.97,679 5.293,680 5.468,681 5.642,682 5.835,683 5.922,684 5.948,685 10.678,686 0.62,687 642.78,688 3.951,689 5.517,690 6.389,691 7.292,692 8.185,693 9.099,694 10.003,695 10.923,696 11.832,697 12.756,698 5.6,701 1,703 2,708 2,714 4,715 6,716 2,720 8,722 22,734 2,740 2,741 90,743 23,744 2,745 51,747 96,748 38,749 18,750 6,751 6,756 7,757 16,758 2,763 1,767 7,768 2,770 10,772 20,773 18,774 2,777 1,784 1,786 1,793 45,794 5,795 2,796 7,797 2,802 5,808 0.286,822 2,829 7,831 1,833 4,835 1,849 1,850 1,855 1,859 2,864 2,865 2,868 45,876 14,877 2,880 2,881 1,892 2,901 21.833,902 16.636,903 9.667,904 6.13,907 5.04,908 1.518,909 1.018,910 9.447,911 14.775,912 4.159,913 4.787,914 5.407,915 6.061,916 6.702,917 7.116,918 7.532,919 7.962,920 8.294,921 8.369,922 0.909,923 79,924 16.743,926 7.213,927 0.026,929 7.379,931 33.71,933 29.472,936 1.879,937 84.556,941 506.157,942 154.343,943 72.717,944 78.297,948 154.343,949 584.455,950 72.717,951 17.222,952 33.768,953 66.334,954 69.593,955 40.143,957 506.157,958 78.297,959 506.157,960 227.059,962 78.297,964 435.531,965 70.627,968 55.519,969 92.471,970 157.366,972 506.157,973 72.717,974 232.64,977 506.157,978 70.787,979 86.68,980 36.022,981 111.868,982 506.157,983 72.717,984 232.64,986 0.583,987 0.338,988 0.197,989 0.117,990 37,991 16,992 0.115,993 11,994 6,995 1.355,996 5.483,997 479.506,998 0.387,999 30,1000 243.133,1005 31.086,1006 13.676,1007 6.799,1008 4.43,1009 72.717,1010 12.313,1011 10.102,1015 9.493,1017 36.022,1018 811.514,1019 63,1026 2.479,1028 1.527,1031 88.712,1032 101.099,1034 0.212,1035 0.53,1036 0.743,1037 0.864,1038 0.902,1039 0.912,1040 5.432,1041 2.226,1042 6.378,1043 6.847,1044 4.99,1045 5.476,1046 1.26,1047 7.222,1048 4.915,1049 6.636,1050 2.083,1051 7.948,1052 6.141,1053 4.575,1054 5.394,1055 0.325,1056 8.16,1057 4.438,1058 7.957,1059 1.982,1060 9.618,1061 6.088,1062 6.605,1063 7.728,1064 0.689,1065 11.324,1066 6.481,1067 9.312,1068 1.879,1069 11.35,1070 5.573,1071 7.004,1072 8.491,1073 0.268,1074 13.132,1075 6.845,1076 10.704,1077 1.703,1078 13.123,1079 5.356,1080 8.508,1081 10.331,1082 0.395,1083 15.825,1084 8.352,1085 12.121,1086 1.643,1087 14.927,1088 4.873,1089 9.312,1090 11.495,1091 0.188,1092 18.011,1093 9.137,1094 13.56,1095 1.454,1096 16.754,1097 3.578,1098 10.605,1099 13.14,1100 0.234,1101 20.545,1102 10.424,1103 3.319,1104 1.418,1105 18.6,1106 3.4,1107 11.611,1108 14.497,1109 0.125,1110 22.89,1111 11.415,1112 3.235,1113 11.934,1114 20.46,1115 3.341,1116 12.822,1117 16.065,1118 0.14,1119 25.372,1120 12.617,1121 2.84,1122 11.364,1123 22.332,1124 4.594,1125 13.923,1126 17.511,1127 0.082,1128 27.783,1129 13.702,1130 2.61,1131 9.32,1132 24.214,1133 4.582,1134 15.107,1135 19.048,1136 0.085,1137 30.249,1138 14.874,1139 2.453,1140 8.477,1141 26.104,1142 3.624,1143 16.252,1144 20.536,1145 0.054,1146 32.688,1147 16.002,1148 2.381,1149 7.471,1150 28.002,1151 3.534,1152 17.43,1153 22.062,1154 0.052,1155 35.15,1156 17.166,1157 2.25,1158 6.886,1159 29.905,1160 3.131,1161 18.595,1162 23.568,1163 0.035,1164 37.602,1165 18.315,1166 40618,1167 59752,1168 34.906,1169 60.734,1170 76.566,1171 77.339,1172 78.555,1173 76.626,1174 76.243,1175 94.947,1176 4.56,1177 223.826,1178 72.984,1179 5.655,1180 5.508,1181 6.755,1182 5.345,1183 5.319,1184 7.594,1185 1.48,1186 19.51,1187 5.265,1188 19.501,1189 1.501,1190 1.516,1191 1.54,1192 1.502,1193 1.495,1194 1.862,1195 0.089,1196 4.389,1197 1.431,1198 4.158,1199 4.188,1200 4.156,1201 4.089,1202 5.056,1203 4.091,1204 4.098,1205 4.126,1206 4.11,1207 4.032,1208 5.021,1209 4.035,1210 3.874,1211 3.908,1212 3.867,1213 3.813,1214 4.698,1215 3.802,1216 3.78,1217 3.855,1218 3.778,1219 3.662,1220 4.684,1221 3.648,1222 3.736,1223 3.78,1224 3.641,1225 3.605,1226 4.431,1227 3.6,1228 3.608,1229 3.683,1230 3.584,1231 3.454,1232 4.344,1233 3.444,1234 3.475,1235 3.531,1236 3.447,1237 3.374,1238 4.231,1239 3.365,1240 3.391,1241 3.471,1242 3.367,1243 3.216,1244 4.166,1245 3.211,1246 0.092,1247 0.069,1248 0.137,1249 0.084,1250 0.065,1251 4.686,1252 0.09,1253 3.508,1254 0.016,1255 6.986,1256 0.234,1257 4.303,1258 0.064,1259 3.319,1260 4.594,1261 0.8,1262 11.934,1263 3.265,1264 2.097,1265 2.073,1266 2.188,1267 2.182,1268 1.536,1269 2.186,1270 2.07,1271 2.047,1272 2.149,1273 2.158,1274 1.436,1275 2.159,1276 1.881,1277 1.851,1278 2.008,1279 1.976,1280 1.322,1281 1.994,1282 1.754,1283 1.71,1284 1.985,1285 1.952,1286 1.22,1287 1.969,1288 1.75,1289 1.682,1290 1.926,1291 1.863,1292 1.16,1293 1.892,1294 1.609,1295 1.539,1296 1.867,1297 1.805,1298 1.137,1299 1.831,1300 1.468,1301 1.422,1302 1.692,1303 1.639,1304 0.918,1305 1.656,1306 1.37,1307 1.292,1308 1.657,1309 1.592,1310 0.861,1311 1.625,1312 4.635,1314 5.979,1316 7.526,1318 9.182,1320 10.903,1322 4.55,1323 12.702,1328 15.6,1329 7.705,1332 1.175,1333 2.479,1340 55.825,1341 124.103,1342 309.478,1343 434.228,1344 504.757,1345 526.757,1346 532.757,1347 71.105,1348 9.735,1349 53.08,1350 53.08,1351 42,1352 13.265,1353 4.585,1354 3.7,1355 62.828,1356 303,1357 236,1358 0.098,1359 341.962,1360 592.22,1361 826.146,1362 376327,1363 2.2,1364 30.915,1365 0.687,1366 0.627,1367 31.915,1368 28.205,1369 21.924,1370 0.43,1371 0.348,1372 16.947,1373 20.934,1374 16.426,1375 13.543,1376 22.501,1377 17.749,1378 20.231,1379 0.277,1380 0.199,1381 21.047,1382 14.494,1383 16.95,1384 0.17,1385 0.106,1386 17.475,1387 10.586,1388 15.321,1389 0.107,1390 0.059,1391 15.79,1392 8.404,1393 13.243,1394 0.067,1395 0.032,1396 13.707,1397 6.423,1398 0.162,1399 140.316,1400 0.169,1401 40.264,1402 0.249,1403 248,1404 524.008,1405 288.336,1406 585.539,1407 811.35,1408 552,1409 297,1410 572.5,1411 327.341,1412 607.856,1413 900.05,1414 576,1415 9.538}
{0 CHEMBL2113368,1 1.324,2 16.659,3 8.607,4 74.082,5 186.987,6 6.759,7 0.44,8 4.571,9 4.706,10 4.072,11 4.164,12 5.469,13 4.101,14 5.178,15 5.376,16 4.457,17 4.618,18 5.999,19 4.524,20 5.505,21 5.744,22 4.574,23 4.813,24 6.279,25 4.685,26 5.586,27 5.852,28 4.548,29 4.813,30 6.335,31 4.671,32 5.567,33 5.823,34 4.472,35 4.822,36 6.293,37 4.667,38 5.63,39 5.902,40 4.431,41 4.837,42 6.304,43 4.65,44 5.635,45 5.926,46 4.315,47 4.777,48 6.282,49 4.568,50 5.531,51 5.829,52 4.265,53 4.651,54 6.18,55 4.441,56 0.098,57 1.299,58 20.997,59 8.812,60 12.347,61 12.615,62 0.245,63 2.244,64 40.319,65 15.618,66 25.6,67 22.696,68 0.379,69 2.949,70 58.4,71 21.456,72 41.769,73 31.358,74 0.578,75 3.145,76 63.691,77 22.483,78 52.225,79 33.271,80 0.477,81 3.099,82 60.938,83 22.391,84 43.695,85 32.978,86 0.432,87 3.139,88 65.911,89 25.42,90 44.832,91 36.922,92 0.458,93 3.055,94 69.403,95 25.41,96 47.364,97 36.83,98 0.443,99 2.699,100 64.934,101 23.048,102 44.125,103 33.224,104 10,105 71,106 0.196,107 0.502,108 0.717,109 0.853,110 0.896,111 0.899,112 3.81,113 1.036,114 -6.49,115 -6.32,116 -5.86,121 42.2,122 1,123 10,124 2,126 1,127 4,137 1,138 1,144 7,145 4,146 3,148 4,176 20,180 10,185 6,187 28,192 8,197 5,200 19,206 7,209 3,211 9,214 24,219 1,222 1,224 4,227 23,232 5,237 4,239 29,244 5,249 2,251 17,255 1,256 7,264 13,268 1,269 6,273 1,277 7,281 4086,282 30.377,283 30.377,284 30.377,285 30.377,286 30.377,287 27.518,288 36.523,289 18.109,290 30.852,291 24.805,292 24.805,293 24.805,294 24.805,295 24.805,296 20.303,297 43.001,298 8.716,299 25.628,300 5.168,301 3.103,302 1.646,303 0.728,304 0.439,305 0.417,306 4.537,308 1,313 1666,314 4.359,318 721.173,320 130.17,322 709.803,324 202.218,325 2.313,326 23.016,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.49,337 90.833,338 733,339 4.686,340 3.508,341 6.986,342 4.303,343 3.319,344 4.594,345 0.8,346 11.934,347 3.265,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 4.564,354 0.68,355 11.348,356 3.162,357 4.143,358 3.064,359 6.24,360 3.826,361 2.84,362 3.624,363 0.4,364 9.32,365 2.801,366 3.914,367 2.858,368 5.982,369 3.524,370 2.532,371 3.437,372 0.4,373 8.37,374 2.512,375 3.814,376 2.709,377 5.569,378 3.417,379 2.453,380 3.131,382 7.471,383 2.37,384 3.568,385 2.668,386 5.39,387 3.306,388 2.381,389 2.926,391 6.847,392 2.205,393 3.522,394 2.546,395 5.381,396 3.198,397 2.226,398 2.893,400 6.711,401 2.162,402 3.408,403 2.457,404 5.126,405 3.131,406 2.178,407 2.725,409 6.141,410 2.073,411 3.377,412 2.354,413 5.035,414 3.012,415 2.083,416 2.38,418 6.088,419 1.907,420 3.011,421 2.136,422 4.836,423 2.838,424 1.879,425 2.142,427 5.356,428 1.773,429 2.939,430 1.934,431 4.666,432 2.678,433 1.703,434 2.045,436 4.873,437 1.64,438 2.889,439 1.797,440 4.116,441 2.618,442 1.644,443 1.914,445 3.58,446 1.573,447 2.723,448 1.579,449 4.041,450 2.509,451 1.519,452 1.747,454 3.385,455 1.502,456 2.642,457 1.518,458 3.961,459 2.402,460 1.432,461 1.675,463 3.329,464 1.386,465 2.559,466 1.438,467 3.719,468 2.345,469 1.347,470 1.571,472 3.179,473 1.343,474 21.714,475 0.494,476 0.986,477 0.022,478 50,479 1.136,480 22,481 0.5,482 28,483 0.636,484 54.376,485 1.236,486 47.286,487 0.525,488 36.189,489 0.822,490 8.535,491 0.194,492 12.995,493 0.295,494 0.079,496 0.341,501 0.849,502 1.269,503 0.794,504 1.036,505 0.756,506 0.996,507 1.02,508 1.14,509 0.839,510 0.973,511 0.695,512 0.97,513 1.062,514 1.137,515 0.927,516 1.008,517 0.967,518 0.993,519 1.023,520 0.994,521 0.861,522 0.922,523 0.877,524 0.936,525 1.153,526 1.016,527 0.948,528 0.995,529 1.04,530 1.05,531 0.746,532 1.058,533 0.888,534 1.057,535 0.777,536 1.07,537 0.978,538 0.988,539 1.017,540 1.023,541 1.036,542 1.037,543 0.969,544 0.973,545 1.029,546 0.985,547 0.961,548 0.969,549 7.5,550 0.281,551 4,552 3.5,553 2.862,554 1.347,555 0.824,556 0.618,557 0.518,558 0.385,559 42864,560 83381,561 2.19,562 51.1,563 15,564 19,567 2,568 4,569 4,570 2,572 1.816,573 2.095,574 3.885,575 0.013,582 119.152,583 1.324,584 3.389,585 4.845,586 5.764,587 6.053,588 6.075,589 3.145,590 5.005,591 5.441,592 4.207,593 3980.29,594 9.59,595 80983.7,600 584.267,601 1.242,602 5.411,603 0.15,604 0.007,605 0.056,606 0.045,607 0.039,608 0.02,609 0.014,610 0.012,611 0.011,612 0.008,613 0.362,614 0.33,615 0.5,616 0.388,617 261.241,618 0.018,619 -0.068,620 0.053,621 0.015,622 0.052,623 0.041,624 -0.037,625 -0.014,626 0.034,627 0.031,628 0.126,629 0.032,630 -0.028,631 -0.081,632 0.002,633 -0.024,634 0.01,635 -0.007,636 0.082,637 0.049,638 0.034,639 0.028,640 0.092,641 0.027,642 -0.131,643 0.039,644 -0.093,645 -0.039,646 -0.148,647 -0.081,648 0.025,649 -0.081,650 -0.02,651 -0.074,652 -0.001,653 -0.078,654 -0.057,655 -0.04,656 -0.043,657 -0.044,658 -0.11,659 -0.052,660 0.049,661 -0.048,662 0.042,663 0.003,664 0.019,665 0.017,666 0.909,667 2.282,668 0.705,669 52.552,670 0.982,671 1.124,672 5.261,673 27.676,674 0.665,675 3.932,676 4.277,677 4.595,678 4.949,679 5.268,680 5.429,681 5.606,682 5.793,683 5.883,684 5.911,685 10.505,686 0.611,687 608.34,688 3.932,689 5.493,690 6.365,691 7.266,692 8.159,693 9.071,694 9.975,695 10.893,696 11.802,697 12.724,698 5.6,701 1,703 2,708 2,714 4,715 7,716 2,720 7,722 22,734 2,740 1,741 90,743 23,744 2,745 50,747 96,748 38,749 18,750 5,751 7,756 7,757 16,758 1,763 1,767 7,768 2,770 10,772 20,773 18,774 2,777 1,784 1,786 1,793 46,794 5,795 2,796 6,797 1,802 5,808 0.286,822 2,829 7,831 1,833 4,835 1,849 1,850 1,855 1,859 2,864 2,865 1,868 44,876 14,877 2,880 2,881 1,892 1,901 21,902 16.576,903 9.5,904 6.15,907 5.029,908 1.52,909 1.02,910 9.008,911 14.697,912 4.143,913 4.762,914 5.387,915 6.038,916 6.67,917 7.066,918 7.486,919 7.908,920 8.249,921 8.32,922 1,923 77,924 16.383,926 7.042,927 0.026,929 7.336,931 33.149,933 28.995,936 1.836,937 80.778,941 517.928,942 160.318,943 72.717,944 39.149,948 160.318,949 557.077,950 72.717,951 17.222,952 33.768,953 75.81,954 69.593,955 36.643,957 517.928,958 39.149,959 517.928,960 233.035,962 39.149,964 447.302,965 70.627,968 55.519,969 98.447,970 118.217,972 517.928,973 72.717,974 199.467,977 517.928,978 67.287,979 96.156,980 36.022,981 72.72,982 517.928,983 72.717,984 199.467,986 0.58,987 0.339,988 0.2,989 0.118,990 36,991 15,992 0.115,993 11,994 6,995 1.355,996 5.438,997 464.919,998 0.387,999 30,1000 238.215,1005 29.869,1006 13.27,1007 6.47,1008 4.635,1009 72.717,1010 14.827,1011 10.128,1015 8.913,1017 36.022,1018 790.112,1019 62,1026 2.483,1028 1.532,1031 88.388,1032 101.155,1034 0.204,1035 0.522,1036 0.746,1037 0.888,1038 0.932,1039 0.936,1040 5.409,1041 2.178,1042 6.347,1043 6.711,1044 4.963,1045 5.451,1046 1.26,1047 7.189,1048 4.903,1049 6.607,1050 2.083,1051 7.914,1052 6.141,1053 4.511,1054 5.33,1055 0.325,1056 8.129,1057 4.409,1058 7.923,1059 1.879,1060 9.583,1061 6.088,1062 6.572,1063 7.696,1064 0.689,1065 11.299,1066 6.47,1067 9.276,1068 1.703,1069 11.317,1070 5.356,1071 6.957,1072 8.445,1073 0.268,1074 13.117,1075 6.829,1076 10.666,1077 1.644,1078 13.094,1079 4.873,1080 8.476,1081 10.299,1082 0.395,1083 15.81,1084 8.342,1085 12.083,1086 1.519,1087 14.901,1088 3.58,1089 9.278,1090 11.46,1091 0.188,1092 18.001,1093 9.127,1094 13.523,1095 1.432,1096 16.732,1097 3.385,1098 10.577,1099 13.111,1100 0.234,1101 20.535,1102 10.416,1103 3.319,1104 1.347,1105 18.58,1106 3.329,1107 11.583,1108 14.467,1109 0.125,1110 22.882,1111 11.407,1112 3.226,1113 11.934,1114 20.443,1115 3.179,1116 12.797,1117 16.036,1118 0.14,1119 25.364,1120 12.609,1121 2.84,1122 11.348,1123 22.318,1124 4.594,1125 13.899,1126 17.482,1127 0.082,1128 27.776,1129 13.695,1130 2.532,1131 9.32,1132 24.202,1133 4.564,1134 15.085,1135 19.019,1136 0.085,1137 30.241,1138 14.867,1139 2.453,1140 8.37,1141 26.094,1142 3.624,1143 16.23,1144 20.505,1145 0.054,1146 32.681,1147 15.996,1148 2.381,1149 7.471,1150 27.992,1151 3.437,1152 17.409,1153 22.031,1154 0.052,1155 35.142,1156 17.159,1157 2.226,1158 6.847,1159 29.896,1160 3.131,1161 18.574,1162 23.536,1163 0.035,1164 37.595,1165 18.308,1166 38354,1167 53734,1168 34.501,1169 59.876,1170 74.972,1171 75.357,1172 76.583,1173 74.828,1174 74.636,1175 93.17,1176 4.56,1177 217.634,1178 72.201,1179 5.655,1180 5.508,1181 6.755,1182 5.345,1183 5.319,1184 7.594,1185 1.48,1186 19.51,1187 5.265,1188 16.468,1189 1.499,1190 1.507,1191 1.532,1192 1.497,1193 1.493,1194 1.863,1195 0.091,1196 4.353,1197 1.444,1198 4.158,1199 4.188,1200 4.147,1201 4.088,1202 5.043,1203 4.09,1204 4.097,1205 4.126,1206 4.066,1207 4.028,1208 4.968,1209 4.032,1210 3.874,1211 3.908,1212 3.866,1213 3.813,1214 4.697,1215 3.802,1216 3.78,1217 3.855,1218 3.645,1219 3.652,1220 4.432,1221 3.638,1222 3.732,1223 3.781,1224 3.616,1225 3.605,1226 4.414,1227 3.6,1228 3.607,1229 3.683,1230 3.584,1231 3.454,1232 4.342,1233 3.444,1234 3.475,1235 3.531,1236 3.424,1237 3.374,1238 4.23,1239 3.364,1240 3.389,1241 3.471,1242 3.241,1243 3.204,1244 4.154,1245 3.201,1246 0.094,1247 0.07,1248 0.14,1249 0.086,1250 0.066,1251 4.686,1252 0.092,1253 3.508,1254 0.016,1255 6.986,1256 0.239,1257 4.303,1258 0.065,1259 3.319,1260 4.594,1261 0.8,1262 11.934,1263 3.265,1264 2.097,1265 2.073,1266 2.188,1267 2.182,1268 1.536,1269 2.186,1270 2.072,1271 2.046,1272 2.159,1273 2.163,1274 1.436,1275 2.163,1276 1.881,1277 1.851,1278 2.008,1279 1.976,1280 1.322,1281 1.994,1282 1.755,1283 1.709,1284 1.985,1285 1.953,1286 1.22,1287 1.969,1288 1.752,1289 1.682,1290 1.949,1291 1.872,1292 1.16,1293 1.902,1294 1.609,1295 1.539,1296 1.868,1297 1.806,1298 1.137,1299 1.832,1300 1.468,1301 1.422,1302 1.692,1303 1.641,1304 0.918,1305 1.657,1306 1.371,1307 1.292,1308 1.659,1309 1.593,1310 0.861,1311 1.626,1312 4.615,1314 5.953,1316 7.498,1318 9.155,1320 10.875,1322 4.564,1323 6.393,1328 15.892,1329 7.734,1332 1.187,1333 2.491,1340 54.997,1341 119.152,1342 304.988,1343 436.086,1344 518.757,1345 544.757,1346 546.757,1347 66.451,1348 9.668,1349 53.08,1350 53.08,1351 42,1352 13.234,1353 4.585,1354 3.7,1355 60.77,1356 291,1357 204,1358 0.099,1359 333.629,1360 577.01,1361 805.814,1362 348336,1363 1.1,1364 30.045,1365 0.683,1366 0.617,1367 30.545,1368 27.149,1369 21.53,1370 0.431,1371 0.345,1372 16.817,1373 20.849,1374 16.332,1375 13.494,1376 21.819,1377 17.271,1378 19.597,1379 0.276,1380 0.196,1381 20.005,1382 13.913,1383 16.615,1384 0.17,1385 0.105,1386 16.877,1387 10.296,1388 15.056,1389 0.108,1390 0.059,1391 15.291,1392 8.211,1393 13.027,1394 0.067,1395 0.032,1396 13.259,1397 6.26,1398 0.163,1399 134.777,1400 0.17,1401 39.569,1402 0.251,1403 242,1404 489.804,1405 266.817,1406 523.381,1407 739.98,1408 496,1409 290,1410 545.637,1411 310.583,1412 571.207,1413 846.47,1414 542,1415 9.495}
{0 CHEMBL211383,1 1.381,2 9.407,3 3.77,4 14.212,5 103.637,6 6.44,7 0.207,8 4.121,9 4.244,10 3.536,11 3.646,12 5.127,13 3.593,14 4.728,15 4.909,16 3.939,17 4.117,18 5.706,19 4.025,20 5.111,21 5.341,22 4.042,23 4.306,24 6.004,25 4.181,26 5.273,27 5.53,28 4.062,29 4.306,30 6.249,31 4.188,32 5.193,33 5.425,34 4.121,35 4.279,36 6.313,37 4.187,38 5.247,39 5.466,40 4.106,41 4.327,42 6.432,43 4.214,44 5.32,45 5.6,46 3.827,47 4.296,48 6.211,49 4.115,50 5.114,51 5.408,52 3.664,53 4.115,54 5.936,55 3.929,56 0.062,57 0.781,58 13.883,59 6.14,60 12.055,61 8.248,62 0.266,63 1.341,64 25.783,65 10.775,66 55.19,67 15.002,68 0.312,69 1.798,70 38.352,71 14.056,72 51.366,73 20.367,74 0.6,75 1.89,76 46.381,77 14.767,78 106.771,79 21.499,80 0.605,81 1.785,82 42.954,83 13.88,84 118.775,85 19.868,86 0.846,87 1.854,88 45.54,89 15.147,90 158.89,91 21.264,92 0.659,93 1.888,94 48.205,95 16.148,96 121.378,97 23.346,98 0.415,99 1.562,100 38.626,101 13.572,102 72.737,103 19.795,104 38,105 42,106 0.229,107 0.533,108 0.721,109 0.822,110 0.822,111 0.822,112 3.341,113 1.052,114 -4.11,115 -4.05,116 -3.84,121 37.9,122 1,123 9,124 1,125 1,127 1,132 1,144 4,145 2,160 2,170 1,174 1,176 18,177 1,180 2,183 2,185 4,187 22,188 2,192 5,196 1,197 9,200 14,201 2,206 7,211 9,214 10,215 3,219 6,220 1,222 1,224 9,225 1,227 13,228 2,231 1,232 5,235 2,236 1,237 8,239 18,244 3,249 4,251 18,252 2,256 2,261 3,262 1,264 16,265 2,269 2,272 1,273 1,274 3,277 12,278 2,281 1096,282 18.06,283 18.06,284 18.06,285 18.06,286 18.06,287 17.009,288 17.768,289 10.46,290 18.109,291 14.136,292 14.136,293 14.136,294 14.136,295 14.136,296 12.541,297 23.522,298 4.688,299 14.222,300 4.477,301 2.65,302 1.518,303 0.91,304 0.91,305 0.91,306 4.014,311 1,312 1,313 532,314 4.583,317 146.602,318 84.736,321 124.432,325 1.385,326 39.077,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 58.5,338 254,339 4.618,340 4.049,341 7.641,342 4.545,343 3.551,344 3.915,345 2.341,346 13.974,347 3.533,348 4.456,349 3.717,350 7.259,351 4.362,352 3.373,353 3.671,354 1.907,355 12.917,356 3.327,357 3.913,358 3.567,359 6.024,360 3.659,361 2.657,362 3.129,363 0.149,364 8.595,365 2.649,366 3.824,367 2.808,368 5.901,369 3.589,370 2.597,371 2.981,373 8.055,374 2.571,375 3.004,376 2.639,377 4.871,378 2.722,379 1.703,380 2.071,382 4.541,383 1.723,384 2.879,385 2.024,386 4.532,387 2.532,388 1.532,389 2.012,391 4.397,392 1.532,393 2.86,394 1.821,395 3.962,396 2.443,397 1.437,398 1.954,400 3.136,401 1.43,402 2.654,403 1.482,404 3.672,405 2.412,406 1.413,407 1.607,409 3.001,410 1.41,411 2.285,412 1.369,413 3.618,414 2.215,415 1.208,416 1.261,418 2.628,419 1.211,420 1.846,421 1.152,422 3.613,423 1.743,424 0.739,425 0.781,427 1.464,428 0.735,429 1.618,430 1.016,431 3.441,432 1.618,433 0.618,434 0.618,436 1.373,437 0.618,438 1.569,439 0.618,440 3.376,441 1.347,442 0.453,443 0.463,445 0.897,446 0.39,447 1.489,448 0.547,449 3.347,450 1.327,451 0.347,452 0.412,454 0.637,455 0.347,456 0.981,457 0.474,458 3.011,459 0.697,460 -0.301,461 -0.316,463 -0.622,464 -0.298,465 0.683,466 0.414,467 2.47,468 0.663,469 -0.344,470 -0.386,472 -0.932,473 -0.345,474 12.733,475 0.472,476 0.738,477 0.027,478 25,479 0.926,480 9,481 0.333,482 16,483 0.593,484 32.859,485 1.217,486 31.667,487 0.546,488 18.32,489 0.679,490 4.089,491 0.151,492 8.845,493 0.328,494 0.144,495 0.079,496 0.196,501 0.784,502 1.214,503 0.959,504 1.153,505 0.706,506 1.091,507 0.473,508 1.214,509 0.913,510 1.16,511 0.472,512 1.115,513 0.732,514 1.256,515 1.026,516 1.211,517 0.716,518 1.165,519 1.294,520 0.957,521 1.012,522 0.905,523 1.308,524 0.908,525 1.299,526 1.027,527 1.02,528 0.981,529 1.348,530 0.954,531 1.284,532 1.085,533 1.171,534 1.112,535 1.298,536 1.124,537 1.165,538 0.882,539 1.056,540 0.912,541 1.143,542 0.962,543 0.809,544 0.868,545 0.887,546 0.907,547 0.813,548 0.909,549 7.5,550 0.086,551 3.778,552 2.639,553 2.152,554 1.024,555 0.867,556 0.466,557 0.243,558 0.189,559 7555,560 17846,561 1.996,562 53.4,563 17,564 6,567 3,568 1,569 4,572 1.708,573 1.841,574 3.218,575 0.872,577 1,582 80.075,583 1.381,584 3.208,585 4.34,586 4.948,587 4.948,588 4.948,589 2.672,590 4.088,591 4.728,592 3.361,593 1179.57,594 8.245,595 14758,597 1,599 1,600 339.763,601 1.65,602 4.655,603 0.259,604 0.007,605 0.09,606 0.061,607 0.05,608 0.022,609 0.02,610 0.015,611 0.009,612 0.009,613 0.541,614 0.33,615 1,616 1.507,617 131.442,618 -0.072,619 0.081,620 0.009,621 0.095,622 -0.048,623 0.069,624 0.15,625 -0.03,626 0.031,628 0.115,629 -0.006,630 0.011,631 -0.164,632 -0.068,633 -0.167,634 -0.016,635 -0.135,636 -0.121,637 0.022,638 0.004,639 0.038,640 -0.131,641 0.042,642 -0.047,643 -0.011,644 0.011,645 -0.008,646 -0.018,647 0.011,648 0.034,649 -0.075,650 -0.135,651 -0.121,652 0.056,653 -0.151,654 -0.123,655 0.033,656 -0.072,657 0.026,658 -0.102,659 -0.01,660 -0.016,661 0.049,662 0.06,663 0.043,664 -0.037,665 0.062,666 2.471,667 6.386,668 0.519,669 21.726,670 0.994,671 1.13,672 2.879,673 8.287,674 0.625,675 3.401,676 3.761,677 4.043,678 4.304,679 4.489,680 4.511,681 4.543,682 4.625,683 4.466,684 4.431,685 5.766,686 0.582,687 373.54,688 3.401,689 4.963,690 5.826,691 6.737,692 7.63,693 8.547,694 9.45,695 10.369,696 11.278,697 12.197,698 1.7,705 1,715 4,720 2,722 6,741 58,743 8,744 1,745 29,747 60,748 22,749 6,750 2,751 4,756 3,757 4,763 2,764 1,766 1,767 6,768 1,770 9,772 8,773 14,774 2,777 2,782 2,786 2,790 1,793 31,794 5,795 3,796 5,802 1,808 0.667,809 4,810 1,828 2,829 1,832 1,843 1,845 1,857 2,859 2,864 1,868 27,875 2,876 10,877 1,880 1,882 2,893 6.9,894 1,895 1,896 2,901 14.667,902 10.15,903 6.097,904 3.9,907 1.157,908 1.167,909 0.883,910 6.149,911 8.066,912 3.555,913 4.034,914 4.44,915 4.851,916 5.233,917 5.288,918 5.473,919 5.732,920 5.622,921 5.739,922 1,923 43,924 10.207,926 4.537,927 0.026,929 7.87,931 19.659,933 17.155,936 2.37,937 64,939 1,940 1,941 329.591,942 81.527,943 18.011,945 135.657,948 81.527,949 465.247,950 18.011,951 8.825,952 40.822,953 80.588,954 98.588,955 6.371,957 329.591,959 329.591,960 99.537,961 135.657,964 282.506,965 140.058,966 42.683,968 49.647,969 49.891,972 329.591,973 153.667,974 81.527,977 329.591,978 34.796,979 46.73,980 18.011,981 135.657,982 329.591,983 153.667,984 81.527,986 0.58,987 0.354,988 0.192,989 0.106,990 20,991 9,992 0.133,993 8,994 1,995 1.143,996 3.658,997 234.762,998 0.143,999 14,1000 116.382,1005 20.196,1006 8.22,1007 4.158,1009 153.667,1010 8.057,1015 2.337,1017 103.377,1018 564.785,1019 34,1024 25.068,1028 -0.87,1031 57.665,1032 65.564,1034 0.236,1035 0.548,1036 0.741,1037 0.845,1038 0.845,1039 0.845,1040 4.848,1041 1.413,1042 5.883,1043 3.136,1044 4.443,1045 4.718,1046 2.748,1047 6.821,1048 4.43,1049 6.05,1050 1.208,1051 7.535,1052 3.001,1053 4.369,1054 4.663,1055 2.591,1056 8.363,1057 4.35,1058 7.394,1059 0.739,1060 9.312,1061 2.628,1062 6.24,1063 6.753,1064 4.005,1065 11.399,1066 6.211,1067 8.775,1068 0.618,1069 11.166,1070 1.464,1071 7.004,1072 7.472,1073 4.392,1074 13.706,1075 6.964,1076 10.192,1077 0.453,1078 13.069,1079 1.373,1080 8.421,1081 9.117,1082 5.469,1083 16.405,1084 8.374,1085 11.631,1086 0.347,1087 15.004,1088 0.897,1089 9.491,1090 10.145,1091 6.092,1092 18.929,1093 9.435,1094 13.086,1095 -0.301,1096 16.961,1097 0.637,1098 10.778,1099 11.634,1100 7.032,1101 21.557,1102 10.713,1103 3.551,1104 -0.344,1105 18.933,1106 -0.622,1107 11.958,1108 12.802,1109 7.767,1110 24.143,1111 11.885,1112 3.373,1113 13.974,1114 20.916,1115 -0.932,1116 13.209,1117 14.226,1118 8.649,1119 26.758,1120 13.13,1121 2.657,1122 12.917,1123 22.907,1124 3.915,1125 14.43,1126 15.466,1127 9.44,1128 29.364,1129 14.343,1130 2.597,1131 8.595,1132 24.903,1133 3.671,1134 15.675,1135 16.856,1136 10.299,1137 31.979,1138 15.581,1139 1.703,1140 8.055,1141 26.905,1142 3.129,1143 16.911,1144 18.138,1145 11.117,1146 34.593,1147 16.811,1148 1.532,1149 4.541,1150 28.91,1151 2.981,1152 18.157,1153 19.512,1154 11.967,1155 37.209,1156 18.051,1157 1.437,1158 4.397,1159 30.918,1160 2.071,1161 19.402,1162 20.819,1163 12.8,1164 39.827,1165 19.289,1166 7545,1167 11645,1168 18.663,1169 36.245,1170 43.547,1171 45.005,1172 47.433,1173 43.203,1174 43.257,1175 49.751,1176 8.794,1177 131.232,1178 42.953,1179 5.607,1180 6.049,1181 7.403,1182 5.587,1183 5.551,1184 6.915,1185 3.925,1186 21.643,1187 5.533,1188 14.682,1189 1.502,1190 1.552,1191 1.636,1192 1.49,1193 1.492,1194 1.716,1195 0.303,1196 4.525,1197 1.481,1198 4.059,1199 4.092,1200 3.988,1201 3.985,1202 7.474,1203 3.98,1204 3.941,1205 3.978,1206 3.847,1207 3.853,1208 7.428,1209 3.845,1210 3.708,1211 3.759,1212 3.585,1213 3.57,1214 6.456,1215 3.56,1216 3.575,1217 3.624,1218 3.466,1219 3.435,1220 6.351,1221 3.435,1222 3.391,1223 3.449,1224 3.22,1225 3.198,1226 4.75,1227 3.188,1228 3.226,1229 3.253,1230 3.125,1231 2.98,1232 4.296,1233 3.01,1234 3.037,1235 3.096,1236 2.858,1237 2.847,1238 4.125,1239 2.827,1240 2.964,1241 3.036,1242 2.8,1243 2.794,1244 4.1,1245 2.798,1246 0.159,1247 0.14,1248 0.263,1249 0.157,1250 0.122,1251 4.618,1252 0.135,1253 4.049,1254 0.081,1255 7.641,1256 0.482,1257 4.545,1258 0.122,1259 3.551,1260 3.915,1261 2.341,1262 13.974,1263 3.533,1264 1.896,1265 1.871,1266 2.031,1267 1.998,1268 1.426,1269 2.006,1270 1.849,1271 1.812,1272 2.012,1273 1.964,1274 1.24,1275 1.982,1276 1.691,1277 1.643,1278 1.892,1279 1.878,1280 1.211,1281 1.884,1282 1.578,1283 1.523,1284 1.86,1285 1.751,1286 1.172,1287 1.793,1288 1.577,1289 1.507,1290 1.818,1291 1.743,1292 1.171,1293 1.772,1294 1.297,1295 1.247,1296 1.572,1297 1.556,1298 0.807,1299 1.55,1300 1.067,1301 1.007,1302 1.348,1303 1.286,1304 0.528,1305 1.283,1306 0.961,1307 0.896,1308 1.304,1309 1.233,1310 0.449,1311 1.276,1312 4.078,1314 5.425,1315 3.045,1316 6.973,1317 5.416,1318 8.611,1319 7.545,1320 10.297,1322 1.98,1327 19.698,1328 6.318,1329 3.176,1332 -0.482,1334 -1.283,1340 33.783,1341 80.075,1342 186.072,1343 251.705,1344 287.008,1345 287.008,1346 287.008,1347 84.587,1348 6.909,1349 86.63,1350 86.63,1351 16,1352 12.708,1353 3.17,1354 2.585,1355 46.634,1356 92,1357 94,1358 0.249,1359 207.764,1360 374.14,1361 498.704,1362 7482,1364 19.493,1365 0.722,1366 0.599,1367 19.493,1368 16.169,1369 12.934,1370 0.446,1371 0.351,1372 10.085,1373 12.592,1374 9.821,1375 8.133,1376 12.934,1377 10.166,1378 11.738,1379 0.279,1380 0.203,1381 11.738,1382 8.53,1383 9.862,1384 0.176,1385 0.116,1386 9.862,1387 6.523,1388 8.025,1389 0.11,1390 0.069,1391 8.025,1392 5.016,1393 6.37,1394 0.072,1395 0.038,1396 6.37,1397 3.338,1398 0.38,1399 80.425,1400 0.231,1401 25.374,1402 0.721,1403 142,1404 362.103,1405 152.469,1406 346.434,1407 454.64,1408 320,1409 169,1410 313.072,1411 178.862,1412 318.938,1413 466.62,1414 299,1415 5.523}
{0 CHEMBL211450,1 1.666,2 8.5,3 2.756,4 7.597,5 86.169,6 7.233,7 0.217,8 3.876,9 4.001,10 3.445,11 3.4,12 4.941,13 3.334,14 4.458,15 4.647,16 3.868,17 3.82,18 5.511,19 3.717,20 4.768,21 5.001,22 3.755,23 3.932,24 5.701,25 3.796,26 4.88,27 5.126,28 3.834,29 3.92,30 5.939,31 3.82,32 4.833,33 5.063,34 3.927,35 3.944,36 5.948,37 3.848,38 4.9,39 5.121,40 3.917,41 3.958,42 6.18,43 3.828,44 4.776,45 5.028,46 3.519,47 3.798,48 5.805,49 3.621,50 4.502,51 4.786,52 3.34,53 3.514,54 5.463,55 3.305,56 0.068,57 0.662,58 10.788,59 4.67,60 10.541,61 6.001,62 0.282,63 1.073,64 21.937,65 7.601,66 49.555,67 10.78,68 0.294,69 1.247,70 31.073,71 10.262,72 49.674,73 13.947,74 0.609,75 1.26,76 33.818,77 9.584,78 99.971,79 13.626,80 0.457,81 1.259,82 31.661,83 9.821,84 75.415,85 13.43,86 0.873,87 1.307,88 39.785,89 10.832,90 148.703,91 13.912,92 0.6,93 1.152,94 34.714,95 9.117,96 90.354,97 12.32,98 0.432,99 0.872,100 26.745,101 7.16,102 52.468,103 10.168,104 33,105 32,106 0.294,107 0.515,108 0.708,109 0.831,110 0.831,111 0.831,112 3.147,113 1.125,114 -3.68,115 -3.65,116 -3.47,121 33.3,122 2,123 7,124 1,125 1,160 2,163 1,164 1,168 1,170 1,174 1,176 10,177 1,180 5,183 3,185 3,187 12,188 2,192 6,195 1,197 5,200 7,201 2,205 1,206 7,211 6,214 7,215 3,218 1,219 8,220 1,224 4,225 1,227 8,228 2,231 1,232 10,235 2,236 1,237 3,239 8,244 5,245 1,249 1,251 6,252 1,255 1,256 3,257 1,259 1,261 1,264 4,268 1,269 2,272 1,277 2,278 1,281 712,282 14.43,283 14.43,284 14.43,285 14.43,286 14.43,287 13.485,288 17.258,289 8.538,290 14.789,291 11.265,292 11.265,293 11.265,294 11.265,295 11.265,296 9.807,297 25.238,298 3.898,299 11.834,300 3.826,301 2.575,302 1.485,303 0.789,304 0.789,305 0.789,306 3.797,310 1,311 1,312 1,313 378,314 4.123,317 143.25,325 1.318,326 31.536,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 48.5,338 187,339 4.568,340 4.026,341 7.627,342 4.505,343 3.503,344 3.768,345 2.341,346 13.9,347 3.509,348 4.078,349 3.711,350 5.905,351 3.661,352 2.706,353 3.603,354 1.907,355 8.084,356 2.647,357 3.834,358 2.859,359 5.585,360 3.536,361 2.635,362 2.994,363 0.149,364 7.651,365 2.288,366 3.232,367 2.666,368 4.923,369 2.898,370 1.96,371 2.378,373 5.384,374 1.836,375 2.88,376 2.042,377 4.495,378 2.524,379 1.557,380 1.901,382 3.956,383 1.482,384 2.654,385 2.017,386 3.962,387 2.436,388 1.432,389 1.607,391 3.131,392 1.418,393 2.287,394 1.369,395 3.618,396 2.176,397 1.174,398 1.26,400 2.593,401 1.166,402 2.201,403 1.016,404 3.583,405 1.743,406 0.752,407 1.057,409 1.716,410 0.736,411 1.845,412 0.809,413 3.276,414 1.618,415 0.699,416 0.776,418 1.464,419 0.627,420 1.618,421 0.618,422 3.135,423 1.618,424 0.618,425 0.618,427 1.359,428 0.618,429 1.022,430 0.438,431 2.807,432 0.676,433 -0.312,434 -0.321,436 -0.623,437 -0.296,438 0.682,439 0.376,440 2.467,441 0.591,442 -0.356,443 -0.43,445 -0.894,446 -0.342,447 0.472,448 -0.283,449 1.885,450 0.106,451 -0.842,452 -0.93,454 -2,455 -0.792,456 0.418,457 -0.38,458 1.601,459 0.101,460 -0.924,461 -1.017,463 -2.006,464 -0.891,465 0.104,466 -0.65,467 1.572,468 -0.027,469 -1,470 -1.316,472 -2.098,473 -1.002,474 10.533,475 0.479,476 0.621,477 0.028,478 20.75,479 0.943,480 7.5,481 0.341,482 13.25,483 0.602,484 24.971,485 1.135,486 26.067,487 0.579,488 12.95,489 0.589,490 3.207,491 0.146,492 7.258,493 0.33,494 0.19,495 0.047,496 0.237,501 0.699,502 1.259,503 0.82,504 1.081,505 0.624,506 1.085,507 0.33,508 1.279,509 0.734,510 1.145,511 0.369,512 1.079,513 0.797,514 1.183,515 1.01,516 1.188,517 0.816,518 1.13,519 1.319,520 0.877,521 0.812,522 0.776,523 1.424,524 0.887,525 1.214,526 0.98,527 0.802,528 0.862,529 1.271,530 0.922,531 1.392,532 1.012,533 1.301,534 1.09,535 1.422,536 1.023,537 1.487,538 0.964,539 1.371,540 1.035,541 1.42,542 1.072,543 0.68,544 0.988,545 1.03,546 1.093,547 0.644,548 1.068,549 6,550 0.037,551 2.889,552 1.819,553 1.405,554 0.753,555 0.526,556 0.26,557 0.161,558 0.134,559 4185,560 12216,561 1.933,562 51.1,563 17,567 2,568 4,572 1.652,573 1.772,574 3.057,575 0.393,576 1,577 1,579 1,582 74.978,583 1.666,584 2.917,585 4.007,586 4.703,587 4.703,588 4.703,589 2.495,590 4.096,591 4.429,592 3.194,593 737.801,594 7.645,595 8104.19,597 1,599 1,600 247.133,601 1.674,602 4.355,603 0.261,604 0.007,605 0.09,606 0.061,607 0.045,608 0.022,609 0.017,610 0.013,611 0.012,612 0.013,613 0.541,614 0.33,615 1,616 1.611,617 100.034,618 -0.015,619 0.054,620 0.05,621 0.071,622 -0.012,623 0.032,624 0.294,625 -0.125,626 0.188,627 -0.039,628 0.207,629 0.005,630 -0.011,631 -0.166,632 -0.077,633 -0.169,634 -0.02,635 -0.107,636 -0.132,637 0.045,638 0.02,639 0.061,640 -0.15,641 0.044,642 -0.08,643 -0.014,644 0.069,645 0.04,646 -0.064,647 0.038,648 -0.01,649 -0.027,650 -0.136,651 -0.029,652 0.032,653 -0.068,654 -0.312,655 0.01,656 -0.273,657 -0.036,658 -0.231,659 -0.132,660 0.097,661 -0.031,662 0.011,663 -0.104,664 0.039,665 -0.097,666 2.465,667 5.743,668 0.455,669 16.364,670 1.004,671 1.138,672 2.453,673 6.017,674 0.636,675 3.178,676 3.497,677 3.714,678 3.912,679 3.951,680 3.932,681 3.892,682 3.829,683 3.584,684 3.401,685 5.177,686 0.593,687 325.48,688 3.178,689 4.71,690 5.541,691 6.422,692 7.284,693 8.169,694 9.044,695 9.931,696 10.812,697 11.7,698 6.7,705 1,708 2,716 2,719 1,720 2,722 5,741 45,743 7,745 23,747 46,748 15,749 2,756 2,757 2,763 2,764 1,766 1,767 4,770 7,772 4,773 11,774 1,777 2,782 2,786 2,789 1,790 1,793 23,794 6,795 2,796 7,797 1,802 3,808 1,809 3,828 2,843 1,845 1,857 1,859 2,862 1,864 2,868 22,875 1,876 7,877 1,880 1,882 1,893 6.7,895 1,896 2,901 12.417,902 8.433,903 4.986,904 3.086,907 0.812,908 1.133,909 0.883,910 5.904,911 6.912,912 3.35,913 3.812,914 4.172,915 4.539,916 4.576,917 4.635,918 4.762,919 4.749,920 4.696,921 4.732,922 0.833,923 30,924 8.245,926 3.53,927 0.026,929 7.958,931 15.678,933 13.014,936 2.458,937 54.083,940 1,941 247.193,942 73.715,943 51.337,945 92.973,947 31.278,948 42.437,949 340.166,950 51.337,951 17.65,952 35.752,954 132.843,955 0.501,957 278.471,959 247.193,960 93.774,961 92.973,962 31.278,964 247.193,965 92.973,968 54.833,969 5.615,970 33.326,971 31.278,972 247.193,973 144.31,974 73.715,977 247.193,978 56.064,979 17.65,980 18.011,981 126.299,982 247.193,983 144.31,984 73.715,986 0.576,987 0.336,988 0.177,989 0.089,990 14,991 7,992 0.152,993 7,995 1,996 3.272,997 164.94,999 10,1000 94.107,1001 1,1005 17.33,1006 7.495,1007 4.26,1009 144.31,1011 7.826,1014 1.339,1015 1.293,1017 60.694,1018 465.218,1019 27.5,1024 24.195,1028 -0.892,1031 45.2,1032 51.195,1034 0.303,1035 0.531,1036 0.73,1037 0.856,1038 0.856,1039 0.856,1040 4.608,1041 0.752,1042 5.572,1043 2.593,1044 4.174,1045 4.494,1046 2.748,1047 6.444,1048 4.096,1049 5.796,1050 0.699,1051 7.185,1052 1.716,1053 4.007,1054 4.407,1055 2.591,1056 7.858,1057 3.92,1058 7.114,1059 0.618,1060 8.923,1061 1.464,1062 5.878,1063 6.503,1064 4.005,1065 10.903,1066 5.761,1067 8.471,1068 -0.312,1069 10.744,1070 1.359,1071 6.567,1072 7.221,1073 4.392,1074 13.191,1075 6.474,1076 9.865,1077 -0.356,1078 12.623,1079 -0.623,1080 7.973,1081 8.831,1082 5.469,1083 15.901,1084 7.87,1085 11.282,1086 -0.842,1087 14.543,1088 -0.894,1089 9,1090 9.874,1091 6.092,1092 18.441,1093 8.927,1094 12.717,1095 -0.924,1096 16.492,1097 -2,1098 10.274,1099 11.307,1100 7.032,1101 21.087,1102 10.203,1103 3.503,1104 -1,1105 18.464,1106 -2.006,1107 11.431,1108 12.491,1109 7.767,1110 23.694,1111 11.384,1112 2.706,1113 13.9,1114 20.451,1115 -2.098,1116 12.673,1117 13.853,1118 8.649,1119 26.328,1120 12.634,1121 2.635,1122 8.084,1123 22.449,1124 3.768,1125 13.882,1126 15.101,1127 9.44,1128 28.954,1129 13.859,1130 1.96,1131 7.651,1132 24.456,1133 3.603,1134 15.121,1135 16.433,1136 10.299,1137 31.586,1138 15.107,1139 1.557,1140 5.384,1141 26.469,1142 2.994,1143 16.352,1144 17.713,1145 11.117,1146 34.216,1147 16.349,1148 1.432,1149 3.956,1150 28.487,1151 2.378,1152 17.594,1153 19.032,1154 11.967,1155 36.847,1156 17.598,1157 1.174,1158 3.131,1159 30.509,1160 1.901,1161 18.836,1162 20.327,1163 12.8,1164 39.479,1165 18.847,1166 4353,1167 7568,1168 14.504,1169 28.642,1170 34.478,1171 35.022,1172 36.617,1173 34.129,1174 34.069,1175 39.923,1176 8.794,1177 98.476,1178 32.652,1179 5.537,1180 5.98,1181 7.39,1182 5.618,1183 5.503,1184 6.373,1185 3.925,1186 21.295,1187 5.478,1188 12.875,1189 1.499,1190 1.523,1191 1.592,1192 1.484,1193 1.481,1194 1.736,1195 0.382,1196 4.282,1197 1.42,1198 3.984,1199 4.023,1200 4.218,1201 3.882,1202 7.474,1203 3.871,1204 3.783,1205 3.822,1206 3.857,1207 3.732,1208 7.428,1209 3.656,1210 3.704,1211 3.756,1212 3.58,1213 3.568,1214 6.351,1215 3.558,1216 3.394,1217 3.453,1218 3.228,1219 3.202,1220 5.015,1221 3.192,1222 3.298,1223 3.345,1224 3.205,1225 3.039,1226 4.285,1227 3.07,1228 3.021,1229 3.093,1230 2.84,1231 2.794,1232 4.113,1233 2.78,1234 2.889,1235 2.979,1236 2.726,1237 2.671,1238 3.904,1239 2.635,1240 2.869,1241 2.944,1242 2.583,1243 2.549,1244 3.704,1245 2.587,1246 0.199,1247 0.175,1248 0.332,1249 0.196,1250 0.152,1251 4.568,1252 0.164,1253 4.026,1254 0.102,1255 7.627,1256 0.604,1257 4.505,1258 0.153,1259 3.503,1260 3.768,1261 2.341,1262 13.9,1263 3.509,1264 1.842,1265 1.806,1266 2.028,1267 1.987,1268 1.424,1269 1.999,1270 1.624,1271 1.573,1272 1.86,1273 1.806,1274 1.211,1275 1.823,1276 1.577,1277 1.507,1278 1.86,1279 1.751,1280 1.181,1281 1.793,1282 1.464,1283 1.433,1284 1.668,1285 1.627,1286 0.809,1287 1.661,1288 1.316,1289 1.261,1290 1.577,1291 1.586,1292 0.797,1293 1.575,1294 1.212,1295 1.148,1296 1.305,1297 1.472,1298 0.417,1299 1.462,1300 0.771,1301 0.728,1302 1.203,1303 1.172,1304 0.351,1305 1.149,1306 0.747,1307 0.675,1308 1.027,1309 1.07,1310 0.094,1311 1.089,1312 3.85,1314 5.165,1315 3.045,1316 6.658,1317 5.283,1318 8.24,1319 7.261,1320 9.876,1322 3.807,1327 9.402,1328 5.294,1329 2.845,1332 -0.454,1334 -0.572,1340 26.664,1341 74.978,1342 131.243,1343 180.321,1344 211.624,1345 211.624,1346 211.624,1347 66.023,1348 6.1,1349 92.18,1350 120.42,1351 10,1352 12.232,1353 3,1354 2.459,1355 41.891,1356 64,1357 72,1358 0.313,1359 171.662,1360 299.76,1361 410.615,1362 2493,1364 16.165,1365 0.735,1366 0.632,1367 16.518,1368 13.91,1369 10.465,1370 0.455,1371 0.375,1372 7.794,1373 9.593,1374 7.493,1375 6.257,1376 10.873,1377 8.627,1378 9.487,1379 0.296,1380 0.227,1381 10.242,1382 7.277,1383 7.406,1384 0.185,1385 0.129,1386 8.061,1387 5.166,1388 5.83,1389 0.119,1390 0.079,1391 6.524,1392 3.872,1393 4.036,1394 0.079,1395 0.045,1396 4.48,1397 2.287,1398 0.474,1399 69.922,1400 0.263,1401 21.396,1402 0.911,1403 110,1404 342.104,1405 149.485,1406 345.448,1407 452.3,1408 318,1409 127,1410 304.761,1411 157.35,1412 319.634,1413 462.11,1414 299,1415 5.301}
{0 CHEMBL211471,1 1.48,2 6.563,3 0.511,4 0.262,5 62.167,6 6.381,7 0.375,8 3.611,9 3.752,10 3.033,11 2.994,12 4.668,13 2.968,14 4.16,15 4.401,16 3.372,17 3.358,18 5.185,19 3.321,20 4.324,21 4.5,22 3.375,23 3.585,24 5.385,25 3.483,26 4.607,27 4.896,28 3.195,29 3.529,30 5.532,31 3.375,32 4.239,33 4.494,34 3.104,35 3.325,36 5.201,37 3.207,38 4.131,39 4.357,40 2.841,41 3.181,42 5.102,43 3.041,44 4.015,45 4.311,46 2.716,47 2.981,48 4.942,49 2.824,50 3.861,51 4.126,52 2.322,53 2.775,54 4.92,55 2.654,56 0.012,57 0.474,58 8.511,59 2.83,60 6.074,61 4.367,62 0.402,63 0.695,64 15.458,65 4.142,66 24.596,67 6.649,68 0.08,69 0.828,70 17.473,71 6.502,72 19.387,73 9.301,74 0.425,75 0.823,76 23.752,77 6.946,78 54.195,79 10.562,80 0.151,81 0.66,82 16.123,83 5.167,84 24.661,85 7.817,86 0.305,87 0.569,88 14.867,89 4.568,90 27.093,91 6.671,92 0.101,93 0.497,94 12.717,95 3.728,96 20.92,97 6.069,98 0.315,99 0.41,100 11.679,101 2.316,102 36.72,103 3.992,104 43,105 23,106 0.28,107 0.531,108 0.653,109 0.696,110 0.696,111 0.696,112 2.852,113 0.994,114 0.6,115 0.42,116 0.17,121 34.3,126 5,144 4,146 2,161 1,176 2,179 3,180 2,187 3,189 2,192 1,200 1,203 1,206 5,208 1,216 1,219 2,232 2,234 2,281 258,282 9.679,283 9.679,284 9.679,285 9.679,286 9.679,287 8.864,288 14.195,289 5.556,290 10.026,291 7.865,292 7.865,293 7.865,294 7.865,295 7.865,296 6.552,297 19.671,298 2.621,299 8.416,300 3.649,301 2.325,302 1.68,303 1.451,304 1.451,305 1.451,306 3.461,311 1,312 1,313 200,314 3.742,318 56.975,325 1.117,326 12.509,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 35,338 105,339 4.454,340 3.765,341 7.116,342 4.24,343 3.32,344 3.87,345 2.208,346 11.69,347 3.058,348 3.957,349 3.652,350 5.817,351 3.649,352 2.725,353 3.195,354 1.2,355 7.917,356 2.498,357 3.635,358 2.675,359 5.29,360 3.281,361 2.327,362 2.87,363 0.655,364 6.587,365 2.21,366 2.907,367 1.987,368 4.502,369 2.525,370 1.573,371 2.033,372 0.13,373 4.426,374 1.49,375 2.571,376 1.739,377 3.554,378 2.112,379 1.126,380 1.601,382 2.597,383 1.109,384 2.303,385 1.156,386 3.428,387 1.967,388 1,389 1.191,391 2.272,392 0.948,393 1.179,394 0.669,395 2.735,396 0.741,397 -0.225,398 -0.293,400 -0.561,401 -0.212,402 0.67,403 -0.348,404 2.412,405 0.237,406 -0.741,407 -0.975,409 -1.965,410 -0.721,411 0.484,412 -0.6,413 2,414 -0.001,415 -1,416 -1,418 -2,419 -0.9,421 -0.6,422 2,423 -0.1,424 -1,425 -1,427 -2.638,428 -0.9,430 -0.6,431 1.73,432 -0.1,433 -1,434 -1,435 -0.4,436 -3,437 -0.9,439 -0.645,440 1.58,441 -0.1,442 -1,443 -1.412,444 -0.4,445 -3,446 -0.985,447 -0.227,448 -1.019,449 1.346,450 -0.492,451 -1.458,452 -1.813,453 -0.4,454 -4.16,455 -1.423,456 -0.5,457 -1.316,458 1.033,459 -0.81,460 -1.727,461 -1.991,462 -0.4,463 -5.378,464 -1.546,465 -0.605,466 -1.595,467 1,468 -1,469 -1.92,470 -2.276,471 -0.889,472 -5.805,473 -1.726,474 7.467,475 0.467,476 0.696,477 0.044,478 18.5,479 1.156,480 8,481 0.5,482 10.5,483 0.656,484 11.31,485 0.707,486 19.233,487 0.55,488 13.773,489 0.861,490 4.065,491 0.254,492 3.239,493 0.202,494 0.379,495 0.054,496 0.254,501 0.833,502 1.986,503 0.938,504 1.549,505 0.654,506 1.293,507 0.899,508 0.531,509 0.805,510 0.475,511 0.401,512 0.561,513 0.962,514 1.584,515 1.233,516 1.652,517 0.78,518 1.514,519 1.294,520 0.763,521 0.938,522 0.768,523 1.422,524 0.809,525 0.97,526 1.111,527 0.934,528 1.101,529 0.956,530 1.024,531 1.542,532 1.046,533 1.371,534 1.154,535 1.221,536 1.25,537 0.667,538 1.25,539 0.801,540 1.108,541 0.936,542 0.993,543 2.439,544 0.46,545 1.736,546 0.54,547 3.209,548 0.924,549 5.5,551 2.222,552 1.125,553 0.88,554 0.528,555 0.367,556 0.243,559 1594,560 3784,561 1.782,562 54.3,564 19,572 1.552,573 1.587,574 2.775,575 -0.734,577 1,579 1,582 51.795,583 1.48,584 2.805,585 3.449,586 3.678,587 3.678,588 3.678,589 2.18,590 3.203,591 3.974,592 2.902,593 348.277,594 6.694,595 3059.35,597 1,600 179.525,601 1.805,602 3.843,603 0.344,605 0.097,606 0.054,607 0.052,608 0.033,609 0.033,610 0.024,613 0.636,614 0.83,615 1,616 1.656,617 64.434,618 0.013,619 -0.623,620 0.064,621 -0.328,622 -0.08,623 -0.156,624 0.228,625 0.643,626 0.241,627 0.471,628 0.269,629 0.392,630 -0.067,631 -0.394,632 -0.266,633 -0.459,634 -0.012,635 -0.402,636 -0.078,637 0.071,638 0.053,639 0.145,640 -0.118,641 0.117,642 -0.034,643 -0.117,644 0.032,645 -0.085,646 0.017,647 -0.022,648 -0.151,649 -0.055,650 -0.344,651 -0.155,652 -0.213,653 -0.28,654 0.071,655 -0.337,656 0.131,657 -0.167,658 0.133,659 -0.03,660 -0.676,661 0.55,662 -0.62,663 0.218,664 -0.574,665 -0.125,666 2.029,667 4.372,668 0.375,669 9.641,670 0.996,671 1.141,672 -1.833,673 3.36,674 0.611,675 2.833,676 3.178,677 3.219,678 3.258,679 3.434,680 3.296,681 3.367,682 2.996,683 2.565,684 1.946,685 4.32,686 0.57,687 223.33,688 2.833,689 4.369,690 5.153,691 6.019,692 6.834,693 7.695,694 8.523,695 9.381,696 10.216,697 11.071,698 5.7,705 1,712 1,715 4,720 2,722 6,737 1,741 35,743 7,744 1,745 16,747 35,748 12,749 6,750 2,751 4,756 1,757 1,772 7,773 5,777 1,782 1,786 1,790 1,793 19,794 3,796 4,802 2,803 1,807 1,808 1,809 2,829 1,859 1,864 5,868 16,878 1,881 1,883 1,893 5.7,896 1,898 1,901 10.083,902 7.867,903 3.444,904 1.943,907 1.28,908 1.236,909 0.863,910 3.809,911 6.7,912 3.045,913 3.57,914 3.937,915 4.332,916 4.807,917 4.785,918 5.015,919 4.707,920 4.467,921 3.446,922 1,923 21,924 5.879,926 2.27,927 0.026,929 7.813,931 11.124,933 8.224,936 2.313,937 37,938 0.002,941 223.651,942 94.65,943 3.124,945 36.145,948 94.65,949 259.796,950 3.124,951 41.982,952 3.124,953 37.905,954 25.145,955 19,956 6.763,957 223.651,959 223.651,960 97.774,961 36.145,964 223.651,965 36.145,968 3.124,969 94.65,972 223.651,973 39.269,974 94.65,977 223.651,978 14.763,979 83.011,981 36.145,982 223.651,983 39.269,984 94.65,986 0.603,987 0.311,988 0.123,989 0.072,990 10,991 6,992 0.086,993 3,995 1,996 2.641,997 97.892,999 6,1000 57.245,1005 12.847,1006 4.744,1007 3.707,1009 39.269,1010 7.548,1015 1.66,1018 357.57,1019 20,1024 11.372,1028 -0.362,1031 34.869,1032 39.945,1034 0.289,1035 0.547,1036 0.673,1037 0.717,1038 0.717,1039 0.717,1040 4.297,1041 -0.741,1042 5.242,1043 -0.561,1044 3.85,1045 4.248,1046 2.493,1047 6.08,1048 3.718,1049 5.538,1050 -1,1051 6.853,1052 -1.965,1053 3.892,1054 4.248,1055 2.064,1056 7.405,1057 3.644,1058 6.867,1059 -1,1060 8.584,1061 -2,1062 5.572,1063 6.337,1064 3.589,1065 10.303,1066 5.28,1067 8.228,1068 -1,1069 10.382,1070 -2.638,1071 6.312,1072 6.984,1073 3.717,1074 12.364,1075 5.895,1076 9.616,1077 -1,1078 12.222,1079 -3,1080 7.641,1081 8.708,1082 4.976,1083 14.938,1084 7.175,1085 11.022,1086 -1.458,1087 14.091,1088 -3,1089 8.643,1090 9.646,1091 5.387,1092 17.255,1093 8.063,1094 12.442,1095 -1.727,1096 15.981,1097 -4.16,1098 9.865,1099 11.208,1100 6.464,1101 19.744,1102 9.225,1103 3.32,1104 -1.92,1105 17.886,1106 -5.378,1107 10.974,1108 12.306,1109 7.033,1110 22.152,1111 10.231,1112 2.725,1113 11.69,1114 19.803,1115 -5.805,1116 12.165,1117 13.782,1118 7.996,1119 24.618,1120 11.353,1121 2.327,1122 7.917,1123 21.73,1124 3.87,1125 13.319,1126 14.976,1127 8.656,1128 27.057,1129 12.413,1130 1.573,1131 6.587,1132 23.664,1133 3.195,1134 14.505,1135 16.402,1136 9.55,1137 29.517,1138 13.523,1139 1.126,1140 4.426,1141 25.603,1142 2.87,1143 15.68,1144 17.655,1145 10.263,1146 31.969,1147 14.61,1148 1,1149 2.597,1150 27.547,1151 2.033,1152 16.868,1153 19.051,1154 11.116,1155 34.428,1156 15.719,1157 -0.225,1158 2.272,1159 29.495,1160 1.601,1161 18.054,1162 20.342,1163 11.862,1164 36.884,1165 16.819,1166 1802,1167 2878,1168 9.246,1169 21.392,1170 24.655,1171 25.232,1172 24.917,1173 24.221,1174 24.142,1175 29.52,1176 8.386,1177 70.976,1178 22.625,1179 5.281,1180 5.765,1181 6.662,1182 5.288,1183 5.32,1184 6.87,1185 3.912,1186 18.67,1187 5.058,1188 11.146,1189 1.541,1190 1.577,1191 1.557,1192 1.514,1193 1.509,1194 1.845,1195 0.524,1196 4.436,1197 1.414,1198 3.984,1199 4.029,1200 3.92,1201 3.866,1202 7.433,1203 3.873,1204 3.658,1205 3.721,1206 3.565,1207 3.395,1208 4.827,1209 3.417,1210 3.556,1211 3.632,1212 3.417,1213 3.319,1214 4.373,1215 3.339,1216 3.045,1217 3.063,1218 2.909,1219 2.788,1220 4.227,1221 2.808,1222 2.874,1223 3.009,1224 2.617,1225 2.618,1226 4.028,1227 2.607,1228 2.874,1229 3.009,1230 2.531,1231 2.618,1232 3.503,1233 2.57,1234 2.874,1235 3.009,1236 2.499,1237 2.618,1238 3.467,1239 2.57,1240 2.767,1241 2.828,1242 2.499,1243 2.618,1244 3.467,1245 2.57,1246 0.278,1247 0.235,1248 0.445,1249 0.265,1250 0.207,1251 4.454,1252 0.242,1253 3.765,1254 0.138,1255 7.116,1256 0.731,1257 4.24,1258 0.191,1259 3.32,1260 3.87,1261 2.208,1262 11.69,1263 3.058,1264 1.93,1265 1.895,1266 2.061,1267 2.089,1268 1.229,1269 2.084,1270 1.577,1271 1.502,1272 1.82,1273 1.852,1274 0.903,1275 1.837,1276 1.501,1277 1.42,1278 1.774,1279 1.748,1280 0.831,1281 1.764,1282 0.934,1283 0.902,1284 1.417,1285 1.239,1286 0.469,1287 1.308,1288 0.934,1289 0.804,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.934,1295 0.804,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.928,1301 0.804,1302 1.14,1303 1.239,1304 0.179,1305 1.189,1306 0.768,1307 0.711,1308 1.03,1309 0.97,1310 0.107,1311 0.999,1312 3.497,1314 4.828,1316 6.33,1318 7.901,1320 9.51,1322 9.505,1330 5.189,1333 1.401,1335 0.688,1340 19.95,1341 51.795,1342 98.167,1343 120.731,1344 128.731,1345 128.731,1346 128.731,1347 28.048,1348 5.421,1349 29.54,1350 29.54,1351 6,1352 11.629,1353 3,1354 2.322,1355 34.493,1356 41,1357 34,1358 0.437,1359 129.82,1360 223.24,1361 308.522,1362 1056,1364 12.345,1365 0.772,1366 0.661,1367 12.345,1368 10.573,1369 7.304,1370 0.456,1371 0.331,1372 5.164,1373 6.863,1374 4.822,1375 4.2,1376 7.304,1377 5.302,1378 7.553,1379 0.328,1380 0.219,1381 7.553,1382 5.04,1383 4.851,1384 0.202,1385 0.095,1386 4.851,1387 2.27,1388 3.09,1389 0.124,1390 0.049,1391 3.09,1392 1.218,1393 2.513,1394 0.084,1395 0.027,1396 2.513,1397 0.823,1398 0.659,1399 46.853,1400 0.329,1401 16.05,1402 1.258,1403 78,1404 231.449,1405 88.611,1406 219.528,1407 290.34,1408 202,1409 86,1410 210.994,1411 97.309,1412 216.436,1413 305.7,1414 196,1415 7.551}
{0 CHEMBL211500,1 1.635,2 9.217,3 3.423,4 11.718,5 90.796,6 7.073,7 0.208,8 3.934,9 4.062,10 3.481,11 3.457,12 4.977,13 3.387,14 4.521,15 4.714,16 3.895,17 3.877,18 5.546,19 3.767,20 4.836,21 5.078,22 3.84,23 3.997,24 5.745,25 3.854,26 4.928,27 5.169,28 3.896,29 3.989,30 5.986,31 3.88,32 4.881,33 5.112,34 3.958,35 3.987,36 5.987,37 3.888,38 4.925,39 5.146,40 3.942,41 3.988,42 6.193,43 3.861,44 4.822,45 5.077,46 3.588,47 3.852,48 5.846,49 3.68,50 4.574,51 4.845,52 3.451,53 3.614,54 5.56,55 3.428,56 0.06,57 0.7,58 11.716,59 5.012,60 9.566,61 6.519,62 0.276,63 1.135,64 23.553,65 8.164,66 48.843,67 11.648,68 0.272,69 1.33,70 32.991,71 10.989,72 46.974,73 15.045,74 0.605,75 1.357,76 37.744,77 10.334,78 96.525,79 14.432,80 0.439,81 1.33,82 33.238,83 10.056,84 72.641,85 14.033,86 0.865,87 1.353,88 40.543,89 10.832,90 144.764,91 14.152,92 0.556,93 1.209,94 35.826,95 9.574,96 84.754,97 13.08,98 0.474,99 0.944,100 28.247,101 7.636,102 61.538,103 10.755,104 38,105 33,106 0.285,107 0.502,108 0.701,109 0.837,110 0.837,111 0.837,112 3.188,113 1.148,114 -3.93,115 -3.89,116 -3.69,121 33.3,122 2,123 8,124 1,125 1,160 2,163 1,164 1,168 1,170 1,174 1,176 11,177 1,180 5,183 3,185 3,187 12,188 2,192 7,195 1,197 5,200 8,201 2,205 1,206 8,211 6,214 7,215 3,218 1,219 8,220 1,224 5,225 1,227 8,228 2,231 1,232 10,235 2,236 1,237 3,239 8,244 6,245 1,249 1,251 7,252 1,255 1,256 3,257 1,259 1,261 1,264 7,268 1,269 2,272 1,277 5,278 1,281 803,282 15.3,283 15.3,284 15.3,285 15.3,286 15.3,287 14.408,288 18.47,289 9.041,290 15.618,291 11.693,292 11.693,293 11.693,294 11.693,295 11.693,296 10.23,297 25.238,298 4.044,299 12.245,300 3.95,301 2.702,302 1.559,303 0.781,304 0.781,305 0.781,306 3.841,310 1,311 1,312 1,313 428,314 4.243,317 150.694,325 1.376,326 32.301,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 50.5,338 212,339 4.568,340 4.026,341 7.627,342 4.505,343 3.503,344 3.78,345 2.341,346 13.9,347 3.509,348 4.103,349 3.711,350 5.905,351 3.664,352 2.734,353 3.613,354 1.907,355 8.097,356 2.647,357 3.835,358 2.895,359 5.658,360 3.576,361 2.642,362 2.994,363 0.149,364 7.865,365 2.333,366 3.284,367 2.697,368 5.045,369 2.97,370 2.037,371 2.44,373 5.853,374 1.898,375 2.91,376 2.144,377 4.617,378 2.576,379 1.593,380 1.927,382 4.082,383 1.542,384 2.654,385 2.023,386 3.962,387 2.439,388 1.433,389 1.607,391 3.132,392 1.424,393 2.291,394 1.369,395 3.618,396 2.194,397 1.189,398 1.266,400 2.604,401 1.187,402 2.214,403 1.016,404 3.585,405 1.758,406 0.78,407 1.082,409 1.756,410 0.753,411 1.845,412 0.893,413 3.292,414 1.67,415 0.709,416 0.776,418 1.464,419 0.669,420 1.618,421 0.618,422 3.144,423 1.618,424 0.618,425 0.618,427 1.36,428 0.618,429 1.498,430 0.466,431 2.855,432 1.245,433 0.336,434 0.382,436 0.492,437 0.299,438 0.973,439 0.424,440 2.508,441 0.675,442 -0.322,443 -0.324,445 -0.626,446 -0.32,447 0.682,448 0.252,449 2.464,450 0.547,451 -0.414,452 -0.519,454 -1.046,455 -0.391,456 0.472,457 -0.296,458 1.857,459 0.105,460 -0.924,461 -0.935,463 -2,464 -0.891,465 0.132,466 -0.604,467 1.572,468 -0.026,469 -1,470 -1.308,472 -2.097,473 -1.002,474 11.033,475 0.48,476 0.583,477 0.025,478 21.25,479 0.924,480 7.5,481 0.326,482 13.75,483 0.598,484 26.841,485 1.167,486 27.367,487 0.57,488 13.294,489 0.578,490 3.145,491 0.137,492 7.858,493 0.342,494 0.181,495 0.045,496 0.227,501 0.697,502 1.271,503 0.837,504 1.101,505 0.622,506 1.106,507 0.332,508 1.29,509 0.755,510 1.162,511 0.375,512 1.102,513 0.769,514 1.157,515 0.93,516 1.117,517 0.798,518 1.068,519 1.387,520 0.944,521 1.029,522 0.918,523 1.459,524 0.923,525 1.266,526 1.022,527 0.838,528 0.884,529 1.301,530 0.946,531 1.483,532 1.008,533 1.339,534 1.083,535 1.492,536 1.02,537 1.473,538 0.974,539 1.335,540 1.037,541 1.405,542 1.049,543 0.894,544 0.938,545 1.059,546 1.036,547 0.912,548 1.026,549 6,550 0.07,551 2.889,552 1.819,553 1.53,554 0.753,555 0.567,556 0.26,557 0.161,558 0.159,559 4778,560 13177,561 1.936,562 52.1,563 20,567 2,568 3,572 1.663,573 1.781,574 3.158,575 0.364,577 1,582 78.472,583 1.635,584 2.883,585 4.026,586 4.804,587 4.804,588 4.804,589 2.682,590 4.056,591 4.492,592 3.296,593 833.852,594 7.768,595 9461.07,597 1,599 1,600 268.078,601 1.644,602 4.423,603 0.25,604 0.01,605 0.088,606 0.057,607 0.046,608 0.022,609 0.018,610 0.012,611 0.009,612 0.012,613 0.523,614 0.33,615 1,616 1.649,617 106.736,618 -0.009,619 0.051,620 0.051,621 0.067,622 -0.008,623 0.03,624 0.292,625 -0.131,626 0.174,627 -0.05,628 0.198,629 -0.01,630 0.015,631 -0.147,632 0.008,633 -0.1,634 -0.008,635 -0.045,636 -0.152,637 0.033,638 -0.05,639 0.018,640 -0.155,641 0.022,642 -0.091,643 -0.032,644 0.046,645 0.018,646 -0.067,647 0.01,648 -0.025,649 0.004,650 -0.152,651 -0.023,652 0.022,653 -0.072,654 -0.282,655 0.009,656 -0.234,657 -0.033,658 -0.198,659 -0.105,660 0.031,661 0.035,662 -0.013,663 -0.044,664 -0.009,665 -0.061,666 2.463,667 5.831,668 0.435,669 17.822,670 1.002,671 1.138,672 2.702,673 7.302,674 0.633,675 3.219,676 3.526,677 3.761,678 3.951,679 4.007,680 4.007,681 3.951,682 3.932,683 3.738,684 3.611,685 5.461,686 0.587,687 339.51,688 3.219,689 4.745,690 5.58,691 6.457,692 7.322,693 8.205,694 9.081,695 9.967,696 10.849,697 11.737,698 6.3,705 1,708 2,716 2,719 1,720 2,722 5,741 48,743 7,745 24,747 49,748 16,749 2,756 2,757 2,763 2,764 1,766 1,767 4,770 8,772 4,773 12,774 1,777 2,782 2,786 2,789 1,790 1,793 25,794 6,795 2,796 7,797 1,802 3,808 1,809 3,828 2,843 1,845 1,857 1,859 2,862 1,864 2,868 23,875 1,876 8,877 1,880 1,882 1,893 6.3,895 1,896 2,901 12.917,902 8.933,903 5.319,904 3.461,907 0.844,908 1.136,909 0.883,910 6.518,911 7.052,912 3.384,913 3.834,914 4.218,915 4.586,916 4.665,917 4.777,918 4.845,919 4.886,920 4.839,921 4.888,922 1,923 32,924 8.629,926 3.679,927 0.026,929 7.917,931 16.495,933 13.676,936 2.417,937 55.583,940 1,941 270.735,942 76.249,943 51.337,945 92.973,947 31.278,948 44.972,949 363.709,950 51.337,951 17.65,952 38.287,954 132.843,955 0.501,957 302.013,959 270.735,960 96.308,961 92.973,962 31.278,964 270.735,965 92.973,968 57.368,969 5.615,970 33.326,971 31.278,972 270.735,973 144.31,974 76.249,977 270.735,978 58.599,979 17.65,980 18.011,981 126.299,982 270.735,983 144.31,984 76.249,986 0.57,987 0.341,988 0.178,989 0.091,990 14,991 7,992 0.163,993 8,995 1,996 3.367,997 174.753,999 10,1000 100.042,1001 1,1005 18.315,1006 8.185,1007 4.498,1009 144.31,1011 8.016,1014 1.384,1015 1.399,1017 60.694,1018 491.295,1019 28.5,1024 24.322,1028 -0.883,1031 48.083,1032 54.61,1034 0.293,1035 0.516,1036 0.721,1037 0.86,1038 0.86,1039 0.86,1040 4.637,1041 0.78,1042 5.602,1043 2.604,1044 4.205,1045 4.516,1046 2.748,1047 6.472,1048 4.128,1049 5.817,1050 0.709,1051 7.213,1052 1.756,1053 4.007,1054 4.407,1055 2.591,1056 7.879,1057 3.92,1058 7.133,1059 0.618,1060 8.949,1061 1.464,1062 5.905,1063 6.523,1064 4.005,1065 10.921,1066 5.787,1067 8.489,1068 0.336,1069 10.768,1070 1.36,1071 6.581,1072 7.238,1073 4.392,1074 13.201,1075 6.484,1076 9.882,1077 -0.322,1078 12.644,1079 0.492,1080 7.995,1081 8.853,1082 5.469,1083 15.908,1084 7.885,1085 11.3,1086 -0.414,1087 14.561,1088 -0.626,1089 9.014,1090 9.897,1091 6.092,1092 18.445,1093 8.934,1094 12.735,1095 -0.924,1096 16.507,1097 -1.046,1098 10.289,1099 11.333,1100 7.032,1101 21.09,1102 10.211,1103 3.503,1104 -1,1105 18.476,1106 -2,1107 11.442,1108 12.519,1109 7.767,1110 23.696,1111 11.388,1112 2.734,1113 13.9,1114 20.46,1115 -2.097,1116 12.683,1117 13.884,1118 8.649,1119 26.329,1120 12.638,1121 2.642,1122 8.097,1123 22.457,1124 3.78,1125 13.89,1126 15.135,1127 9.44,1128 28.954,1129 13.861,1130 2.037,1131 7.865,1132 24.462,1133 3.613,1134 15.128,1135 16.47,1136 10.299,1137 31.586,1138 15.109,1139 1.593,1140 5.853,1141 26.474,1142 2.994,1143 16.358,1144 17.752,1145 11.117,1146 34.216,1147 16.35,1148 1.433,1149 4.082,1150 28.491,1151 2.44,1152 17.6,1153 19.075,1154 11.967,1155 36.848,1156 17.599,1157 1.189,1158 3.132,1159 30.511,1160 1.927,1161 18.84,1162 20.373,1163 12.8,1164 39.479,1165 18.848,1166 4972,1167 8387,1168 15.197,1169 30.404,1170 35.515,1171 36.066,1172 38.119,1173 35.164,1174 35.15,1175 40.97,1176 8.794,1177 101.211,1178 33.757,1179 5.537,1180 5.98,1181 7.39,1182 5.624,1183 5.503,1184 6.393,1185 3.925,1186 21.295,1187 5.478,1188 13.383,1189 1.48,1190 1.503,1191 1.588,1192 1.465,1193 1.465,1194 1.707,1195 0.366,1196 4.217,1197 1.407,1198 3.985,1199 4.025,1200 4.223,1201 3.885,1202 7.474,1203 3.873,1204 3.804,1205 3.843,1206 3.857,1207 3.752,1208 7.428,1209 3.683,1210 3.705,1211 3.757,1212 3.58,1213 3.569,1214 6.351,1215 3.559,1216 3.405,1217 3.475,1218 3.251,1219 3.213,1220 5.008,1221 3.205,1222 3.373,1223 3.435,1224 3.215,1225 3.167,1226 4.285,1227 3.157,1228 3.183,1229 3.228,1230 3.089,1231 2.961,1232 4.113,1233 2.967,1234 2.934,1235 2.979,1236 2.782,1237 2.671,1238 4.016,1239 2.635,1240 2.869,1241 2.974,1242 2.583,1243 2.581,1244 3.779,1245 2.63,1246 0.19,1247 0.168,1248 0.318,1249 0.188,1250 0.146,1251 4.568,1252 0.158,1253 4.026,1254 0.098,1255 7.627,1256 0.579,1257 4.505,1258 0.146,1259 3.503,1260 3.78,1261 2.341,1262 13.9,1263 3.509,1264 1.842,1265 1.806,1266 2.028,1267 1.987,1268 1.424,1269 1.999,1270 1.627,1271 1.58,1272 1.86,1273 1.806,1274 1.211,1275 1.824,1276 1.589,1277 1.537,1278 1.86,1279 1.757,1280 1.181,1281 1.796,1282 1.577,1283 1.507,1284 1.837,1285 1.751,1286 1.051,1287 1.793,1288 1.323,1289 1.271,1290 1.577,1291 1.587,1292 0.807,1293 1.576,1294 1.225,1295 1.178,1296 1.305,1297 1.477,1298 0.443,1299 1.462,1300 0.911,1301 0.835,1302 1.203,1303 1.191,1304 0.404,1305 1.185,1306 0.771,1307 0.727,1308 1.119,1309 1.172,1310 0.202,1311 1.149,1312 3.892,1314 5.198,1315 3.045,1316 6.691,1317 5.283,1318 8.273,1319 7.273,1320 9.908,1322 3.97,1327 9.434,1328 6.091,1329 2.879,1332 -0.454,1334 -0.573,1340 28.191,1341 78.472,1342 138.385,1343 193.265,1344 230.568,1345 230.568,1346 230.568,1347 71.468,1348 6.209,1349 92.18,1350 120.42,1351 10,1352 12.269,1353 3,1354 2.459,1355 44.988,1356 71,1357 87,1358 0.304,1359 181.254,1360 317.06,1361 434.02,1362 2918,1364 16.872,1365 0.734,1366 0.636,1367 17.226,1368 14.617,1369 11.003,1370 0.458,1371 0.383,1372 8.355,1373 10.167,1374 8.057,1375 6.735,1376 11.411,1377 9.187,1378 9.656,1379 0.293,1380 0.224,1381 10.352,1382 7.386,1383 7.83,1384 0.186,1385 0.134,1386 8.595,1387 5.639,1388 6.055,1389 0.119,1390 0.08,1391 6.783,1392 4.06,1393 4.258,1394 0.079,1395 0.046,1396 4.771,1397 2.462,1398 0.464,1399 73.15,1400 0.257,1401 22.326,1402 0.871,1403 114,1404 346.104,1405 153.485,1406 349.332,1407 459.08,1408 322,1409 132,1410 310.761,1411 164.187,1412 325.063,1413 472.35,1414 305,1415 5.523}
{0 CHEMBL211520,1 1.401,2 11.793,3 4.94,4 24.404,5 115.527,6 6.66,7 0.375,8 4.167,9 4.306,10 3.645,11 3.69,12 5.121,13 3.645,14 4.78,15 4.992,16 3.982,17 4.106,18 5.697,19 4.033,20 5.103,21 5.359,22 4.027,23 4.301,24 5.955,25 4.175,26 5.181,27 5.462,28 3.936,29 4.325,30 5.903,31 4.158,32 5.182,33 5.473,34 3.991,35 4.339,36 5.866,37 4.184,38 5.173,39 5.438,40 4.005,41 4.358,42 5.994,43 4.2,44 5.196,45 5.491,46 3.909,47 4.248,48 6.002,49 4.075,50 5.048,51 5.357,52 3.711,53 3.942,54 6.041,55 3.807,56 0.029,57 1.009,58 14.033,59 5.908,60 5.752,61 8.232,62 0.216,63 1.666,64 27.281,65 9.379,66 24.426,67 13.794,68 0.416,69 2.088,70 38.584,71 13.707,72 48.185,73 19.564,74 0.331,75 2.039,76 41.352,77 15.259,78 42.069,79 22.259,80 0.328,81 1.982,82 41.147,83 14.649,84 35.326,85 22.162,86 0.465,87 2.135,88 40.992,89 15.283,90 44.765,91 22.158,92 0.278,93 2.126,94 42.38,95 15.452,96 43.448,97 22.211,98 0.555,99 1.998,100 39.115,101 12.114,102 79.443,103 16.319,104 5,105 43,106 0.229,107 0.444,108 0.566,109 0.659,110 0.705,111 0.738,112 3.408,113 1.021,114 -5.57,115 -5.45,116 -5.08,121 40,123 3,127 8,129 1,144 8,145 2,146 2,176 10,180 4,187 10,191 2,192 5,200 8,206 4,214 8,219 4,227 8,231 1,232 5,239 4,244 4,256 4,269 5,281 1531,282 19.93,283 19.93,284 19.93,285 19.93,286 19.93,287 18.427,288 26.171,289 12.004,290 20.394,291 15.814,292 15.814,293 15.814,294 15.814,295 15.814,296 13.682,297 32.476,298 5.76,299 16.607,300 4.506,301 3.193,302 2.45,303 1.884,304 1.6,305 1.4,306 4.109,311 1,312 1,313 744,314 2.915,318 428.567,325 1.843,326 25.03,329 0.75,330 1,331 1,332 1,333 1,334 1,335 1,336 0.96,337 62.5,338 342,339 4.341,340 3.557,341 6.783,342 4.117,343 3.147,344 3.829,345 1.277,346 11.165,347 3.055,348 3.929,349 2.934,350 5.469,351 3.539,352 2.611,353 3.535,354 0.8,355 7.282,356 2.42,357 3.73,358 2.905,359 5.348,360 3.467,361 2.501,362 3.024,363 0.8,364 6.861,365 2.412,366 3.583,367 2.859,368 5.323,369 3.397,370 2.464,371 2.618,372 0.494,373 6.791,374 2.293,375 3.431,376 2.737,377 5.147,378 3.233,379 2.304,380 2.509,382 6.314,383 2.128,384 3.239,385 2.269,386 4.927,387 2.837,388 1.908,389 2.459,391 5.619,392 1.764,393 3.029,394 2.172,395 4.845,396 2.815,397 1.857,398 2.069,400 5.382,401 1.759,402 2.5,403 1.557,404 3.677,405 2.47,406 1.492,407 1.5,409 3.151,410 1.455,411 2.5,412 1.146,413 3.602,414 2,415 1,416 1.5,418 2.275,419 1,420 2.495,421 1.077,422 3.414,423 2,424 1,425 1.495,427 2.275,428 1,429 2,430 1.046,431 3.414,432 1.984,433 1,434 1,436 2.275,437 0.983,438 2,439 1,440 3.414,441 1.967,442 1,443 1,445 2.136,446 0.965,447 1.89,448 1,449 3.247,450 1.736,451 0.773,452 0.833,454 1.933,455 0.74,456 1.589,457 0.79,458 3.094,459 1.457,460 0.504,461 0.542,463 1.271,464 0.477,465 1.125,466 0.443,467 2.443,468 0.733,469 -0.178,470 -0.218,472 -0.384,473 -0.156,474 13.771,475 0.475,476 0.571,477 0.02,478 30.75,479 1.06,480 12,481 0.414,482 18.75,483 0.647,484 28.906,485 0.997,486 33.029,487 0.55,488 22.422,489 0.773,490 5.999,491 0.207,492 8.188,493 0.282,494 0.041,496 0.269,499 2,501 0.592,502 1.247,503 0.849,504 1.221,505 0.48,506 1.109,507 0.872,508 1.032,509 1.021,510 1.023,511 0.492,512 1.025,513 0.907,514 0.92,515 1.058,516 1.005,517 0.726,518 1.041,519 0.622,520 0.873,521 0.93,522 1.019,523 0.539,524 1.028,525 0.428,526 0.682,527 0.797,528 0.843,529 0.248,530 0.869,531 0.557,532 0.843,533 0.997,534 1.086,535 0.553,536 1.114,537 0.643,538 1.035,539 0.849,540 1.083,541 0.607,542 1.023,543 1.801,544 1.248,545 1.083,546 0.89,547 1.887,548 0.864,549 5,550 0.112,551 2.889,552 1.438,553 1.338,554 0.556,555 0.725,556 0.569,557 0.18,558 0.244,559 11428,560 25846,561 2.132,562 51.7,563 2,564 25,569 4,572 1.721,573 2.047,574 3.483,575 -0.819,582 84.039,583 1.401,584 2.714,585 3.457,586 4.023,587 4.307,588 4.507,589 2.905,590 3.686,591 4.823,592 3.696,593 1500.4,594 8.411,595 20706.8,597 1,600 354.413,601 1.178,602 4.812,603 0.156,604 0.005,605 0.067,606 0.033,607 0.034,608 0.013,609 0.018,610 0.016,611 0.007,612 0.012,613 0.361,614 0.5,615 0.88,616 0.434,617 148.196,618 0.011,619 -0.175,620 0.067,621 -0.074,622 0.011,623 -0.012,624 -0.093,625 -0.042,626 -0.062,627 -0.021,628 0.052,629 -0.028,630 -0.059,631 0.035,632 -0.094,633 -0.021,634 0.014,635 -0.054,636 -0.011,637 -0.053,638 -0.007,639 -0.036,640 0.007,641 -0.025,642 0.013,643 0.041,644 0.106,645 0.108,646 0.026,647 0.123,648 0.077,649 0.016,650 -0.071,651 -0.089,652 0.004,653 -0.106,654 0.064,655 -0.208,656 0.09,657 -0.116,658 0.079,659 -0.032,660 -0.134,661 -0.058,662 0.014,663 0.037,664 -0.085,665 0.051,666 1.894,667 5.463,668 0.828,669 31.993,670 0.993,671 1.14,672 4.343,673 18.865,674 0.639,675 3.497,676 3.784,677 4.025,678 4.263,679 4.533,680 4.533,681 4.71,682 4.796,683 4.796,684 4.89,685 7.022,686 0.596,687 399.58,688 3.497,689 5.017,690 5.849,691 6.706,692 7.556,693 8.42,694 9.281,695 10.149,696 11.016,697 11.887,698 5,701 3,715 8,720 4,722 12,740 2,741 60,743 12,744 2,745 32,747 63,748 24,749 12,750 4,751 8,756 4,757 4,767 3,770 4,772 12,773 12,791 2,793 31,794 5,796 5,802 3,808 1,829 4,855 3,859 4,866 2,868 29,876 11,880 1,881 3,892 2,901 14.167,902 10.386,903 6.417,904 3.966,907 1.437,908 1.196,909 0.983,910 6.915,911 8.771,912 3.664,913 4.143,914 4.59,915 5.061,916 5.584,917 5.631,918 5.967,919 6.278,920 6.442,921 6.698,922 0.875,923 43,924 10.842,926 4.617,927 0.026,929 7.655,931 21.431,933 18.169,936 2.155,937 62.5,939 1,940 1,941 364.904,942 124.872,943 9.373,946 29.92,948 124.872,949 364.904,950 39.293,952 24.449,953 75.81,955 33.986,956 29.92,957 364.904,959 364.904,960 134.245,961 29.92,964 347.74,965 47.084,968 33.822,969 100.423,972 394.824,973 9.373,974 124.872,977 364.904,978 49.062,979 85.183,981 29.92,982 364.904,983 39.293,984 124.872,986 0.573,987 0.325,988 0.172,989 0.103,990 20,991 8,992 0.095,993 6,995 1,996 4.161,997 250.779,999 24,1000 110.881,1005 20.467,1006 9.798,1007 5.419,1009 39.293,1010 13.471,1015 1.655,1018 529.07,1019 38,1031 59.585,1032 68.402,1034 0.237,1035 0.46,1036 0.585,1037 0.681,1038 0.729,1039 0.763,1040 4.898,1041 1.492,1042 5.802,1043 5.382,1044 4.466,1045 4.828,1046 1.774,1047 6.555,1048 4.372,1049 6.029,1050 1,1051 7.319,1052 3.151,1053 3.892,1054 4.369,1055 1.182,1056 7.361,1057 3.687,1058 7.286,1059 1,1060 8.936,1061 2.275,1062 5.999,1063 6.806,1064 1.63,1065 10.454,1066 5.814,1067 8.569,1068 1,1069 10.615,1070 2.275,1071 6.256,1072 7.146,1073 1.552,1074 12.187,1075 5.979,1076 9.886,1077 1,1078 12.339,1079 2.275,1080 7.799,1081 9.076,1082 1.808,1083 14.808,1084 7.536,1085 11.225,1086 0.773,1087 14.096,1088 2.136,1089 8.468,1090 9.803,1091 1.918,1092 16.952,1093 8.142,1094 12.582,1095 0.504,1096 15.88,1097 1.933,1098 9.766,1099 11.497,1100 2.14,1101 19.43,1102 9.438,1103 3.147,1104 -0.178,1105 17.687,1106 1.271,1107 10.656,1108 12.446,1109 2.324,1110 21.743,1111 10.287,1112 2.611,1113 11.165,1114 19.512,1115 -0.384,1116 11.846,1117 14.006,1118 2.547,1119 24.176,1120 11.467,1121 2.501,1122 7.282,1123 21.354,1124 3.829,1125 12.855,1126 15.09,1127 2.762,1128 26.553,1129 12.446,1130 2.464,1131 6.861,1132 23.209,1133 3.535,1134 14.003,1135 16.567,1136 2.991,1137 28.972,1138 13.577,1139 2.304,1140 6.791,1141 25.075,1142 3.024,1143 15.075,1144 17.739,1145 3.22,1146 31.371,1147 14.624,1148 1.908,1149 6.314,1150 26.951,1151 2.618,1152 16.209,1153 19.162,1154 3.455,1155 33.786,1156 15.738,1157 1.857,1158 5.619,1159 28.835,1160 2.509,1161 17.314,1162 20.391,1163 3.691,1164 36.194,1165 16.819,1166 10789,1167 16459,1168 21.959,1169 38.313,1170 47.263,1171 47.504,1172 48.161,1173 47.351,1174 47.124,1175 55.827,1176 6.741,1177 129.457,1178 44.902,1179 5.341,1180 5.557,1181 6.585,1182 5.184,1183 5.147,1184 6.829,1185 1.967,1186 17.914,1187 5.055,1188 10.321,1189 1.477,1190 1.485,1191 1.505,1192 1.48,1193 1.473,1194 1.745,1195 0.211,1196 4.046,1197 1.403,1198 4.029,1199 4.07,1200 3.969,1201 3.947,1202 8.203,1203 3.947,1204 3.87,1205 3.935,1206 3.772,1207 3.751,1208 8.2,1209 3.75,1210 3.824,1211 3.852,1212 3.748,1213 3.708,1214 4.716,1215 3.706,1216 3.761,1217 3.831,1218 3.636,1219 3.581,1220 4.547,1221 3.586,1222 3.405,1223 3.486,1224 3.264,1225 3.222,1226 4.387,1227 3.219,1228 3.17,1229 3.233,1230 3.064,1231 3.014,1232 4.264,1233 3.016,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.866,1239 2.91,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.674,1245 2.91,1246 0.136,1247 0.111,1248 0.212,1249 0.129,1250 0.098,1251 4.341,1252 0.12,1253 3.557,1254 0.04,1255 6.783,1256 0.349,1257 4.117,1258 0.095,1259 3.147,1260 3.829,1261 1.277,1262 11.165,1263 3.055,1264 1.981,1265 1.953,1266 2.09,1267 2.095,1268 1.42,1269 2.097,1270 1.841,1271 1.787,1272 2.059,1273 2.028,1274 1.354,1275 2.041,1276 1.812,1277 1.774,1278 1.944,1279 1.932,1280 1.187,1281 1.942,1282 1.734,1283 1.664,1284 1.923,1285 1.907,1286 0.99,1287 1.912,1288 1.396,1289 1.317,1290 1.678,1291 1.617,1292 0.986,1293 1.642,1294 1.153,1295 1.076,1296 1.513,1297 1.376,1298 0.825,1299 1.429,1300 1.153,1301 1.064,1302 1.513,1303 1.376,1304 0.825,1305 1.429,1306 1.128,1307 1.064,1308 1.332,1309 1.337,1310 0.584,1311 1.338,1312 4.174,1314 5.468,1316 6.961,1318 8.539,1320 10.159,1324 26.927,1328 12.83,1332 0.028,1333 7.588,1340 35.733,1341 84.039,1342 162.862,1343 207.394,1344 241.394,1345 258.413,1346 270.413,1347 51.818,1348 7.334,1349 9.72,1350 9.72,1351 24,1352 12.43,1353 3.7,1354 2.807,1355 44.67,1356 117,1357 136,1358 0.179,1359 216.628,1360 381.82,1361 520.332,1362 14333,1363 3.3,1364 20.054,1365 0.692,1366 0.589,1367 18.313,1368 17.072,1369 14.187,1370 0.443,1371 0.34,1372 10.742,1373 13.641,1374 10.563,1375 8.664,1376 13.399,1377 10.886,1378 12.479,1379 0.29,1380 0.193,1381 11.236,1382 8.286,1383 10.353,1384 0.188,1385 0.115,1386 9.532,1387 6.325,1388 8.305,1389 0.119,1390 0.066,1391 8.002,1392 4.615,1393 7.221,1394 0.078,1395 0.038,1396 6.75,1397 3.505,1398 0.282,1399 88.652,1400 0.213,1401 27.786,1402 0.487,1403 150,1404 449.158,1405 164.239,1406 385.376,1407 512.54,1408 362,1409 173,1410 360.357,1411 187.063,1412 354.549,1413 518.66,1414 335,1415 6.899}
{0 CHEMBL211529,1 1.281,2 9.32,3 5.535,4 30.636,5 99.796,6 5.671,8 4.153,9 4.297,10 3.449,11 3.647,12 5.018,13 3.563,14 4.801,15 5.018,16 3.804,17 4.111,18 5.638,19 3.973,20 5.201,21 5.475,22 3.914,23 4.304,24 5.927,25 4.134,26 5.303,27 5.584,28 3.955,29 4.313,30 6.144,31 4.159,32 5.28,33 5.547,34 4.023,35 4.326,36 6.195,37 4.187,38 5.331,39 5.587,40 4.001,41 4.347,42 6.402,43 4.194,44 5.318,45 5.606,46 3.717,47 4.33,48 6.078,49 4.112,50 5.267,51 5.592,52 3.505,53 4.216,54 5.879,55 3.957,56 0.074,57 0.825,58 15.718,59 6.683,60 8.076,61 9.403,62 0.299,63 1.388,64 28.585,65 11.524,66 41.969,67 16.6,68 0.306,69 1.795,70 40.636,71 14.629,72 30.66,73 21.884,74 0.541,75 1.855,76 45.532,77 14.395,78 66.818,79 22.007,80 0.485,81 1.835,82 44.999,83 14.721,84 63.47,85 22.052,86 0.916,87 1.859,88 47.996,89 15.449,90 141.637,91 22.803,92 0.481,93 1.843,94 44.622,95 15.968,96 71.075,97 23.581,98 0.373,99 1.676,100 40.672,101 14.892,102 46.747,103 22.21,104 41,105 35,106 0.213,107 0.368,108 0.577,109 0.786,110 0.845,111 0.861,112 3.267,113 1.218,114 -4.95,115 -4.85,116 -4.55,121 33.9,122 2,123 13,124 2,125 1,129 1,160 2,170 1,174 1,176 17,177 1,180 2,183 2,185 4,187 18,188 2,192 5,197 8,200 13,201 2,206 7,211 7,214 12,215 3,219 7,220 1,224 5,225 1,227 17,228 2,231 1,232 5,235 2,236 1,237 3,239 22,244 2,249 1,251 20,252 2,256 2,261 2,264 14,265 3,269 3,274 3,277 10,278 2,281 956,282 16.767,283 16.767,284 16.767,285 16.767,286 16.767,287 16.468,288 14.832,289 10.176,290 16.803,291 12.719,292 12.719,293 12.719,294 12.719,295 12.719,296 12.194,297 21.85,298 4.559,299 12.763,300 4.673,301 3.736,302 2.479,303 1.218,304 0.863,305 0.766,306 3.925,311 1,312 1,313 469,314 4.359,317 77.873,318 97.69,325 1.373,326 31.148,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 53.5,338 233,339 4.565,340 4.027,341 7.628,342 4.507,343 3.504,344 3.671,345 2.341,346 13.901,347 3.511,348 3.868,349 3.711,350 6.151,351 3.826,352 2.84,353 3.001,354 1.907,355 9.092,356 2.798,357 3.806,358 2.925,359 5.901,360 3.649,361 2.646,362 2.831,363 0.149,364 8.056,365 2.641,366 3.067,367 2.667,368 4.921,369 2.855,370 1.858,371 2.079,373 5.111,374 1.843,375 2.655,376 2.025,377 4.327,378 2.579,379 1.575,380 1.607,382 3.758,383 1.579,384 2.61,385 1.713,386 3.962,387 2.451,388 1.448,389 1.602,391 3.139,392 1.439,393 2.43,394 1.492,395 3.639,396 2.401,397 1.402,398 1.425,400 3.015,401 1.395,402 2.265,403 1.369,404 3.618,405 2.165,406 1.148,407 1.224,409 2.563,410 1.161,411 2,412 1.016,413 3.575,414 2,415 1,416 1,418 1.748,419 1,420 1.844,421 1,422 3.157,423 1.74,424 0.734,425 0.777,427 1.464,428 0.731,429 1.618,430 0.618,431 3.095,432 1.618,433 0.618,434 0.618,436 1.366,437 0.618,438 1.177,439 0.529,440 2.835,441 1.053,442 0.054,443 0.057,445 0.108,446 0.054,447 0.684,448 0.423,449 2.468,450 0.673,451 -0.327,452 -0.327,454 -0.63,455 -0.327,456 0.637,457 -0.146,458 2.028,459 0.521,460 -0.485,461 -0.511,463 -0.944,464 -0.485,465 0.472,466 -0.308,467 2,468 0.105,469 -0.923,470 -0.93,472 -2,473 -0.89,474 11.9,475 0.476,476 0.566,477 0.023,478 17.25,479 0.69,480 3,481 0.12,482 14.25,483 0.57,484 35.69,485 1.428,486 31.3,487 0.505,488 9.699,489 0.388,490 1.804,491 0.072,492 10.216,493 0.409,494 0.168,495 0.042,496 0.21,501 0.73,502 1.423,503 1.113,504 1.364,505 0.628,506 1.293,507 0.382,508 1.343,509 1.036,510 1.317,511 0.358,512 1.264,513 0.731,514 1.222,515 0.967,516 1.153,517 0.702,518 1.095,519 1.364,520 0.974,521 1.053,522 0.918,523 1.327,524 0.934,525 1.331,526 1.038,527 1.031,528 1.008,529 1.336,530 0.979,531 1.503,532 0.983,533 1.177,534 1.004,535 1.58,536 1.048,537 1.098,538 1.029,539 1.133,540 1.062,541 1.104,542 1.1,543 0.672,544 0.934,545 0.929,546 0.977,547 0.674,548 0.984,549 5.5,550 0.095,551 3.333,552 1.625,553 1.707,554 1.017,555 0.554,556 0.325,557 0.218,558 0.155,559 5865,560 10829,561 1.941,562 59.7,563 30,564 1,567 2,568 1,569 3,572 1.688,573 1.796,574 3.195,575 0.194,582 79.417,583 1.281,584 2.218,585 3.475,586 4.736,587 5.091,588 5.188,589 2.661,590 4.134,591 4.615,592 3.327,593 998.222,594 8.022,595 12056.3,600 369.16,601 1.583,602 4.551,603 0.212,604 0.009,605 0.095,606 0.044,607 0.045,608 0.025,609 0.015,610 0.012,611 0.01,612 0.009,613 0.474,614 0.17,615 1,616 1.68,617 119.227,618 -0.038,619 0.021,620 0.012,621 0.04,622 -0.014,623 0.033,624 0.209,625 -0.094,626 -0.008,627 -0.086,628 0.17,629 -0.077,630 0.02,631 -0.149,632 0.017,633 -0.097,634 0.001,635 -0.049,636 -0.112,637 0.045,638 -0.01,639 0.037,640 -0.107,641 0.03,642 -0.067,643 0.001,644 0.022,645 -0.01,646 -0.044,647 0.017,648 0.061,649 0.027,650 -0.09,651 -0.016,652 0.07,653 -0.066,654 -0.118,655 -0.045,656 -0.152,657 -0.064,658 -0.083,659 -0.107,660 -0.012,661 -0.013,662 -0.024,663 -0.027,664 -0.016,665 -0.026,666 2.401,667 6.244,668 0.44,669 19.971,670 0.984,671 1.139,672 3.721,673 13.843,674 0.598,675 3.296,676 3.584,677 3.829,678 4.025,679 4.159,680 4.127,681 4.078,682 4.06,683 3.932,684 3.761,685 5.653,686 0.543,687 351.59,688 3.296,689 4.812,690 5.645,691 6.518,692 7.383,693 8.264,694 9.141,695 10.025,696 10.908,697 11.795,698 1.6,705 1,741 62,743 2,745 26,747 63,748 21,756 2,757 2,763 2,764 1,766 1,767 9,768 1,770 14,772 2,773 19,774 2,777 2,782 2,786 2,793 37,794 4,795 2,796 4,802 1,808 1,809 3,828 1,829 1,843 1,845 1,857 1,859 2,864 2,868 25,875 1,876 13,877 1,880 3,882 1,893 4.8,895 1,896 2,901 13.917,902 11.033,903 5.847,904 4.744,907 0.114,908 1.018,909 0.872,910 8.092,911 6.521,912 3.367,913 3.689,914 3.951,915 4.143,916 4.317,917 4.317,918 4.19,919 4.159,920 4.007,921 3.85,922 1,923 37,924 9.476,926 4.033,927 0.026,929 7.683,931 18.867,933 16.267,936 2.183,937 54.583,941 411.989,942 56.214,943 18.011,945 92.973,948 56.214,949 504.962,950 18.011,951 17.65,952 50.96,954 98.588,957 411.989,959 411.989,960 74.225,961 92.973,964 376.675,965 128.287,968 68.61,969 5.615,972 411.989,973 110.984,974 56.214,977 411.989,978 38.563,979 17.65,980 18.011,981 92.973,982 411.989,983 110.984,984 56.214,986 0.561,987 0.336,988 0.185,989 0.101,990 14,991 7,992 0.143,993 9,995 1,996 3.506,997 197.281,999 11,1000 112.096,1005 20.583,1006 9.829,1007 5.373,1009 110.984,1017 60.694,1018 579.186,1019 28,1024 24.881,1028 -0.581,1031 60.989,1032 70.6,1034 0.215,1035 0.373,1036 0.584,1037 0.795,1038 0.855,1039 0.871,1040 4.635,1041 1.148,1042 5.652,1043 3.015,1044 4.263,1045 4.369,1046 2.748,1047 6.521,1048 4.256,1049 5.759,1050 1,1051 7.259,1052 2.563,1053 4.007,1054 4.205,1055 2.591,1056 7.919,1057 4.001,1058 7.052,1059 0.734,1060 8.997,1061 1.748,1062 5.948,1063 6.155,1064 4.005,1065 10.976,1066 5.935,1067 8.385,1068 0.618,1069 10.819,1070 1.464,1071 6.594,1072 6.878,1073 4.392,1074 13.243,1075 6.587,1076 9.764,1077 0.054,1078 12.699,1079 1.366,1080 8.036,1081 8.339,1082 5.469,1083 15.948,1084 8.024,1085 11.173,1086 -0.327,1087 14.618,1088 0.108,1089 9.043,1090 9.408,1091 6.092,1092 18.473,1093 9.038,1094 12.603,1095 -0.485,1096 16.564,1097 -0.63,1098 10.328,1099 10.725,1100 7.032,1101 21.112,1102 10.323,1103 3.504,1104 -0.923,1105 18.53,1106 -0.944,1107 11.475,1108 11.924,1109 7.767,1110 23.711,1111 11.476,1112 2.84,1113 13.901,1114 20.511,1115 -2,1116 12.719,1117 13.206,1118 8.649,1119 26.341,1120 12.722,1121 2.646,1122 9.092,1123 22.502,1124 3.671,1125 13.921,1126 14.455,1127 9.44,1128 28.962,1129 13.929,1130 1.858,1131 8.056,1132 24.503,1133 3.001,1134 15.158,1135 15.734,1136 10.299,1137 31.592,1138 15.169,1139 1.575,1140 5.111,1141 26.509,1142 2.831,1143 16.385,1144 17.006,1145 11.117,1146 34.22,1147 16.4,1148 1.448,1149 3.758,1150 28.522,1151 2.079,1152 17.624,1153 18.29,1154 11.967,1155 36.851,1156 17.643,1157 1.402,1158 3.139,1159 30.538,1160 1.607,1161 18.862,1162 19.573,1163 12.8,1164 39.482,1165 18.885,1166 6096,1167 8384,1168 16.583,1169 37.074,1170 37.962,1171 39.21,1172 41.002,1173 37.682,1174 37.656,1175 39.786,1176 8.794,1177 106.64,1178 37.538,1179 5.565,1180 6.027,1181 7.4,1182 5.527,1183 5.504,1184 5.671,1185 3.925,1186 21.325,1187 5.511,1188 14.147,1189 1.46,1190 1.508,1191 1.577,1192 1.449,1193 1.448,1194 1.53,1195 0.338,1196 4.102,1197 1.444,1198 4.004,1199 4.049,1200 3.904,1201 3.893,1202 7.474,1203 3.888,1204 3.878,1205 3.931,1206 3.749,1207 3.779,1208 7.428,1209 3.764,1210 3.706,1211 3.758,1212 3.579,1213 3.569,1214 6.351,1215 3.559,1216 3.542,1217 3.622,1218 3.34,1219 3.398,1220 4.377,1221 3.372,1222 3.398,1223 3.46,1224 3.24,1225 3.205,1226 4.254,1227 3.197,1228 3.343,1229 3.397,1230 3.213,1231 3.095,1232 4.113,1233 3.116,1234 3.112,1235 3.207,1236 2.885,1237 2.942,1238 4.05,1239 2.911,1240 3.066,1241 3.123,1242 2.867,1243 2.862,1244 3.796,1245 2.858,1246 0.176,1247 0.155,1248 0.293,1249 0.173,1250 0.135,1251 4.565,1252 0.141,1253 4.027,1254 0.09,1255 7.628,1256 0.535,1257 4.507,1258 0.135,1259 3.504,1260 3.671,1261 2.341,1262 13.901,1263 3.511,1264 1.921,1265 1.872,1266 2.123,1267 2.067,1268 1.533,1269 2.087,1270 1.83,1271 1.79,1272 2.026,1273 1.972,1274 1.422,1275 1.99,1276 1.615,1277 1.56,1278 1.881,1279 1.794,1280 1.211,1281 1.821,1282 1.577,1283 1.507,1284 1.86,1285 1.758,1286 1.181,1287 1.8,1288 1.573,1289 1.498,1290 1.856,1291 1.751,1292 1.157,1293 1.793,1294 1.309,1295 1.257,1296 1.58,1297 1.573,1298 0.821,1299 1.567,1300 1.195,1301 1.115,1302 1.513,1303 1.447,1304 0.804,1305 1.465,1306 1.153,1307 1.064,1308 1.5,1309 1.376,1310 0.78,1311 1.429,1312 3.97,1314 5.263,1315 2.398,1316 6.76,1317 4.595,1318 8.358,1319 6.605,1320 10.009,1322 4.239,1327 9.563,1328 13.008,1329 3.391,1332 0.52,1334 -0.438,1340 33.648,1341 79.417,1342 137.53,1343 215.439,1344 293.65,1345 315.65,1346 321.65,1347 86.855,1348 6.407,1349 66.4,1350 66.4,1351 11,1352 12.327,1353 1.585,1354 1.585,1355 51.224,1356 82,1357 89,1358 0.304,1359 210.351,1360 379.23,1361 505.017,1362 3942,1364 18.286,1365 0.731,1366 0.648,1367 18.286,1368 16.188,1369 12.02,1370 0.462,1371 0.406,1372 10.498,1373 11.753,1374 10.222,1375 8.564,1376 12.02,1377 10.559,1378 10.296,1379 0.294,1380 0.241,1381 10.296,1382 8.429,1383 8.298,1384 0.184,1385 0.146,1386 8.298,1387 6.551,1388 6.591,1389 0.12,1390 0.094,1391 6.591,1392 5.144,1393 5.051,1394 0.08,1395 0.056,1396 5.051,1397 3.506,1398 0.464,1399 74.26,1400 0.246,1401 23.899,1402 0.876,1403 122,1404 275.954,1405 130.696,1406 262.707,1407 342.14,1408 242,1409 141,1410 235.275,1411 148.979,1412 236.422,1413 344.47,1414 223,1415 5.523}
{0 CHEMBL211596,1 1.474,2 8.5,3 3.41,4 11.629,5 83.043,6 6.618,7 0.261,8 3.885,9 4.014,10 3.322,11 3.389,12 4.94,13 3.345,14 4.462,15 4.652,16 3.669,17 3.811,18 5.52,19 3.721,20 4.817,21 5.061,22 3.728,23 3.955,24 5.737,25 3.836,26 4.904,27 5.155,28 3.744,29 3.928,30 5.95,31 3.83,32 4.864,33 5.099,34 3.819,35 3.942,36 5.961,37 3.861,38 4.918,39 5.142,40 3.792,41 3.937,42 6.21,43 3.847,44 4.837,45 5.104,46 3.385,47 3.855,48 5.797,49 3.683,50 4.66,51 4.977,52 3.077,53 3.599,54 5.533,55 3.375,56 0.034,57 0.637,58 10.647,59 4.499,60 8.72,61 6.214,62 0.237,63 1.033,64 19.552,65 7.802,66 49.207,67 11.078,68 0.216,69 1.29,70 28.636,71 9.789,72 47.275,73 14.553,74 0.52,75 1.289,76 32.442,77 9.482,78 97.041,79 14.156,80 0.355,81 1.269,82 30.799,83 9.607,84 71.773,85 13.997,86 0.822,87 1.287,88 33.414,89 9.531,90 152.909,91 13.902,92 0.439,93 1.2,94 29.978,95 9.449,96 79.971,97 14.107,98 0.353,99 0.958,100 24.893,101 8.084,102 58.776,103 12.501,104 24,105 31,106 0.259,107 0.552,108 0.714,109 0.852,110 0.852,111 0.852,112 3.147,113 1.047,114 -4.05,115 -4,116 -3.79,121 37,122 1,123 7,124 1,125 1,144 3,147 1,149 1,160 2,170 1,174 1,176 12,177 1,180 4,183 3,185 3,187 12,188 2,192 6,197 6,200 7,201 2,205 1,206 7,211 6,214 7,215 3,219 8,220 1,224 4,225 1,227 9,228 2,231 1,232 7,235 2,236 1,237 3,239 11,244 2,245 1,249 1,251 9,252 1,255 1,256 2,259 1,261 1,264 5,265 1,269 2,274 1,277 3,278 1,281 714,282 14.689,283 14.689,284 14.689,285 14.689,286 14.689,287 13.64,288 14.832,289 8.905,290 14.797,291 11.282,292 11.282,293 11.282,294 11.282,295 11.282,296 9.73,297 21.85,298 4.076,299 11.439,300 4.05,301 2.38,302 1.452,303 0.669,304 0.669,305 0.669,306 3.802,310 1,311 1,312 1,313 379,314 4.062,317 69.408,318 85.204,325 1.318,326 30.219,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 48,338 187,339 4.567,340 4.026,341 7.627,342 4.505,343 3.502,344 3.699,345 2.341,346 13.9,347 3.51,348 3.903,349 3.711,350 5.905,351 3.66,352 2.66,353 3.407,354 1.907,355 8.075,356 2.648,357 3.82,358 2.789,359 5.423,360 3.454,361 2.506,362 2.991,363 0.149,364 7.151,365 2.371,366 3.089,367 2.487,368 4.75,369 2.754,370 1.747,371 2.203,373 4.397,374 1.75,375 2.801,376 2.024,377 3.962,378 2.45,379 1.449,380 1.854,382 3.144,383 1.437,384 2.654,385 1.519,386 3.633,387 2.395,388 1.402,389 1.607,391 2.98,392 1.386,393 2.5,394 1.369,395 3.618,396 2.164,397 1.152,398 1.5,400 2.549,401 1.16,402 2.283,403 1.016,404 3.547,405 1.958,406 1,407 1.254,409 2.136,410 0.956,411 1.846,412 1,413 3.247,414 1.738,415 0.732,416 0.779,418 1.464,419 0.729,420 1.618,421 0.618,422 3.122,423 1.618,424 0.618,425 0.618,427 1.365,428 0.618,429 1.177,430 0.471,431 2.792,432 0.773,433 -0.213,434 -0.268,436 -0.502,437 -0.208,438 0.683,439 0.414,440 2.467,441 0.671,442 -0.331,443 -0.341,445 -0.649,446 -0.331,447 0.5,448 -0.286,449 1.885,450 0.105,451 -0.923,452 -0.932,454 -2,455 -0.89,456 0.483,457 -0.477,458 1.572,459 0.003,460 -1,461 -1.288,463 -2.097,464 -0.963,465 0.472,466 -0.651,467 1.555,468 -0.025,469 -1,470 -1.399,472 -2.256,473 -0.988,474 10.3,475 0.468,476 0.515,477 0.023,478 22.75,479 1.034,480 9.5,481 0.432,482 13.25,483 0.602,484 22.111,485 1.005,486 25.7,487 0.559,488 15.359,489 0.698,490 3.82,491 0.174,492 6.751,493 0.307,494 0.146,495 0.049,496 0.194,501 0.733,502 1.36,503 0.92,504 1.219,505 0.632,506 1.116,507 0.374,508 1.242,509 0.897,510 1.232,511 0.388,512 1.166,513 0.804,514 1.224,515 0.951,516 1.165,517 0.798,518 1.093,519 1.377,520 0.902,521 1.04,522 0.865,523 1.413,524 0.889,525 1.303,526 1.035,527 0.974,528 0.994,529 1.333,530 0.937,531 1.522,532 0.938,533 1.199,534 0.94,535 1.568,536 1.008,537 1.196,538 0.97,539 1.207,540 1.014,541 1.164,542 1.099,543 0.512,544 0.853,545 0.861,546 0.929,547 0.509,548 0.949,549 5,550 0.045,551 2.667,552 1.437,553 1.476,554 0.705,555 0.421,556 0.253,557 0.113,558 0.07,559 4232,560 11047,561 1.959,562 52.2,563 17,564 3,566 1,567 2,568 1,572 1.652,573 1.821,574 3.063,575 0.304,577 1,582 67.803,583 1.474,584 3.144,585 4.071,586 4.855,587 4.855,588 4.855,589 2.495,590 3.914,591 4.429,592 3.194,593 737.848,594 7.646,595 8112.93,597 1,599 1,600 254.084,601 1.546,602 4.371,603 0.217,604 0.009,605 0.086,606 0.046,607 0.048,608 0.021,609 0.014,610 0.013,611 0.008,612 0.007,613 0.468,614 0.33,615 1,616 1.572,617 100.054,618 -0.058,619 -0.046,620 0.01,621 0.021,622 -0.024,623 0.025,624 0.246,625 -0.064,626 0.025,627 -0.088,628 0.189,629 -0.077,630 -0.014,631 -0.197,632 -0.002,633 -0.142,634 -0.019,635 -0.08,636 -0.132,637 0.064,638 -0.017,639 0.068,640 -0.136,641 0.049,642 -0.107,643 -0.048,644 0.038,645 -0.016,646 -0.077,647 0.031,649 0.038,650 -0.139,651 -0.003,652 0.008,653 -0.083,654 -0.191,655 -0.02,656 -0.229,657 -0.06,658 -0.16,659 -0.139,660 0.131,661 0.026,662 0.068,663 -0.005,664 0.088,665 0.016,666 2.459,667 5.755,668 0.5,669 16.455,670 0.998,671 1.135,672 2.82,673 7.95,674 0.625,675 3.178,676 3.466,677 3.689,678 3.871,679 3.989,680 3.912,681 3.829,682 3.784,683 3.555,684 3.296,685 5.179,686 0.587,687 304.43,688 3.178,689 4.691,690 5.517,691 6.385,692 7.244,693 8.12,694 8.991,695 9.872,696 10.751,697 11.635,698 4.3,705 1,708 1,715 4,716 1,720 1,722 6,741 46,743 8,745 23,747 47,748 17,749 5,756 2,757 2,763 1,764 1,766 1,767 4,770 7,772 7,773 10,774 1,777 2,782 2,786 2,789 1,790 1,793 24,794 5,795 2,796 5,802 2,808 1,809 3,822 1,828 1,829 1,843 1,845 1,857 1,859 2,864 1,868 22,875 1,876 7,877 1,880 1,882 1,893 6.5,895 1,896 2,901 12.083,902 8.15,903 5.069,904 3.146,907 1.026,908 1.168,909 0.886,910 5.816,911 7.129,912 3.367,913 3.795,914 4.155,915 4.496,916 4.844,917 4.683,918 4.748,919 4.971,920 4.912,921 4.883,922 0.833,923 31,924 8.246,926 3.517,927 0.026,929 7.936,931 15.709,933 12.998,936 2.436,937 53.583,941 258.964,942 71.986,943 34.796,945 92.973,948 71.986,949 351.937,950 34.796,951 8.825,952 35.752,953 28.429,954 127.144,955 9.047,956 2.328,957 247.193,959 258.964,960 106.782,961 92.973,964 258.964,965 92.973,968 53.625,969 36.371,970 16.786,972 258.964,973 127.769,974 71.986,977 258.964,978 25.684,979 46.301,980 18.011,981 109.759,982 258.964,983 127.769,984 71.986,986 0.566,987 0.332,988 0.176,989 0.095,990 13,991 6,992 0.149,993 7,995 1,996 3.301,997 163.788,999 11,1000 94.107,1005 16.793,1006 7.619,1007 4.225,1009 127.769,1010 6.999,1011 4.124,1015 0.529,1017 60.694,1018 458.719,1019 28,1024 24.211,1028 -0.871,1031 45.905,1032 52.192,1034 0.267,1035 0.569,1036 0.737,1037 0.879,1038 0.879,1039 0.879,1040 4.6,1041 1,1042 5.525,1043 2.549,1044 4.143,1045 4.477,1046 2.748,1047 6.385,1048 4.12,1049 5.766,1050 0.732,1051 7.127,1052 2.136,1053 3.892,1054 4.227,1055 2.591,1056 7.816,1057 3.873,1058 7.067,1059 0.618,1060 8.863,1061 1.464,1062 5.826,1063 6.438,1064 4.005,1065 10.868,1066 5.79,1067 8.408,1068 -0.213,1069 10.689,1070 1.365,1071 6.479,1072 6.978,1073 4.392,1074 13.174,1075 6.461,1076 9.79,1077 -0.331,1078 12.576,1079 -0.502,1080 7.922,1081 8.714,1082 5.469,1083 15.888,1084 7.893,1085 11.199,1086 -0.923,1087 14.505,1088 -0.649,1089 8.938,1090 9.581,1091 6.092,1092 18.435,1093 8.928,1094 12.629,1095 -1,1096 16.463,1097 -2,1098 10.231,1099 11.131,1100 7.032,1101 21.083,1102 10.218,1103 3.502,1104 -1,1105 18.441,1106 -2.097,1107 11.388,1108 12.155,1109 7.767,1110 23.692,1111 11.389,1112 2.66,1113 13.9,1114 20.433,1115 -2.256,1116 12.641,1117 13.611,1118 8.649,1119 26.327,1120 12.643,1121 2.506,1122 8.075,1123 22.436,1124 3.699,1125 13.853,1126 14.725,1127 9.44,1128 28.953,1129 13.864,1130 1.747,1131 7.151,1132 24.446,1133 3.407,1134 15.098,1135 16.127,1136 10.299,1137 31.585,1138 15.113,1139 1.449,1140 4.397,1141 26.462,1142 2.991,1143 16.333,1144 17.298,1145 11.117,1146 34.215,1147 16.353,1148 1.402,1149 3.144,1150 28.482,1151 2.203,1152 17.579,1153 18.666,1154 11.967,1155 36.847,1156 17.603,1157 1.152,1158 2.98,1159 30.504,1160 1.854,1161 18.823,1162 19.876,1163 12.8,1164 39.479,1165 18.852,1166 4374,1167 7150,1168 14.792,1169 28.75,1170 33.813,1171 34.729,1172 35.95,1173 33.568,1174 33.538,1175 39.824,1176 8.794,1177 94.324,1178 33.13,1179 5.535,1180 6.026,1181 7.429,1182 5.547,1183 5.502,1184 6.699,1185 3.925,1186 21.289,1187 5.479,1188 11.394,1189 1.47,1190 1.51,1191 1.563,1192 1.459,1193 1.458,1194 1.731,1195 0.382,1196 4.101,1197 1.44,1198 3.989,1199 4.031,1200 3.905,1201 3.879,1202 7.474,1203 3.877,1204 3.835,1205 3.882,1206 3.76,1207 3.722,1208 7.428,1209 3.726,1210 3.705,1211 3.757,1212 3.578,1213 3.569,1214 6.351,1215 3.559,1216 3.395,1217 3.454,1218 3.229,1219 3.202,1220 4.903,1221 3.194,1222 3.302,1223 3.34,1224 3.206,1225 3.046,1226 4.284,1227 3.081,1228 2.979,1229 3.023,1230 2.826,1231 2.743,1232 4.113,1233 2.75,1234 2.869,1235 2.979,1236 2.652,1237 2.671,1238 3.92,1239 2.635,1240 2.819,1241 2.9,1242 2.596,1243 2.581,1244 3.803,1245 2.602,1246 0.199,1247 0.175,1248 0.332,1249 0.196,1250 0.152,1251 4.567,1252 0.161,1253 4.026,1254 0.102,1255 7.627,1256 0.604,1257 4.505,1258 0.153,1259 3.502,1260 3.699,1261 2.341,1262 13.9,1263 3.51,1264 1.861,1265 1.823,1266 2.031,1267 2.012,1268 1.424,1269 2.013,1270 1.796,1271 1.755,1272 1.939,1273 1.94,1274 1.211,1275 1.947,1276 1.608,1277 1.555,1278 1.86,1279 1.777,1280 1.182,1281 1.803,1282 1.577,1283 1.507,1284 1.85,1285 1.751,1286 0.933,1287 1.793,1288 1.302,1289 1.253,1290 1.574,1291 1.565,1292 0.807,1293 1.557,1294 1.041,1295 0.977,1296 1.259,1297 1.333,1298 0.413,1299 1.317,1300 0.784,1301 0.728,1302 1.202,1303 1.172,1304 0.265,1305 1.149,1306 0.77,1307 0.711,1308 1.07,1309 1.025,1310 0.094,1311 1.082,1312 3.85,1314 5.142,1315 2.398,1316 6.635,1317 4.595,1318 8.222,1319 6.605,1320 9.861,1322 1.977,1327 9.407,1328 5.345,1329 2.868,1332 -0.447,1334 -0.56,1340 26.982,1341 67.803,1342 144.619,1343 187.271,1344 223.329,1345 223.329,1346 223.329,1347 64.045,1348 6.103,1349 79.29,1350 79.29,1351 11,1352 12.169,1353 3.17,1354 2.585,1355 41.869,1356 64,1357 70,1358 0.312,1359 169.994,1360 302.21,1361 406.545,1362 2564,1364 16.002,1365 0.727,1366 0.593,1367 16.002,1368 13.047,1369 10.571,1370 0.46,1371 0.349,1372 7.949,1373 10.233,1374 7.763,1375 6.484,1376 10.571,1377 8.025,1378 9.207,1379 0.297,1380 0.199,1381 9.207,1382 6.184,1383 7.327,1384 0.188,1385 0.117,1386 7.327,1387 4.572,1388 5.714,1389 0.122,1390 0.072,1391 5.714,1392 3.394,1393 4.299,1394 0.081,1395 0.039,1396 4.299,1397 2.085,1398 0.472,1399 66.022,1400 0.26,1401 21.436,1402 0.907,1403 108,1404 313.599,1405 118.473,1406 299.698,1407 390.77,1408 276,1409 124,1410 271.021,1411 133.478,1412 272.623,1413 393.19,1414 256,1415 5.523}
{0 CHEMBL211652,1 1.393,2 10.769,3 5.265,4 27.719,5 101.887,6 6.216,7 0.222,8 4.098,9 4.235,10 3.478,11 3.603,12 5.084,13 3.54,14 4.694,15 4.899,16 3.815,17 4.025,18 5.661,19 3.915,20 5.039,21 5.295,22 3.89,23 4.184,24 5.892,25 4.045,26 5.126,27 5.387,28 3.932,29 4.179,30 6.098,31 4.057,32 5.101,33 5.35,34 3.999,35 4.184,36 6.122,37 4.082,38 5.128,39 5.363,40 3.982,41 4.169,42 6.34,43 4.064,44 5.069,45 5.338,46 3.68,47 4.096,48 6.014,49 3.936,50 4.915,51 5.204,52 3.497,53 3.951,54 5.8,55 3.764,56 0.057,57 0.791,58 13.993,59 5.886,60 9.123,61 8.256,62 0.291,63 1.284,64 25.303,65 10.094,66 48.384,67 14.472,68 0.268,69 1.605,70 35.545,71 12.625,72 40.661,73 18.757,74 0.527,75 1.638,76 39.651,77 12.468,78 86.548,79 18.704,80 0.427,81 1.637,82 38.789,83 12.141,84 68.326,85 18.222,86 0.863,87 1.634,88 40.843,89 11.868,90 145.466,91 17.847,92 0.509,93 1.533,94 37.254,95 11.592,96 82.747,97 17.6,98 0.428,99 1.317,100 31.366,101 10.461,102 63.559,103 15.885,104 44,105 36,106 0.232,107 0.495,108 0.682,109 0.823,110 0.84,111 0.857,112 3.304,113 1.111,114 -4.97,115 -4.87,116 -4.57,121 36.2,122 2,123 10,124 1,125 1,144 2,145 1,147 1,149 1,160 2,170 1,174 1,176 16,177 1,180 4,183 3,185 3,187 17,188 2,192 6,197 6,200 11,201 2,205 1,206 8,211 7,214 10,215 3,219 9,220 1,224 5,225 1,227 11,228 2,231 1,232 9,235 2,236 1,237 4,239 12,244 4,245 1,249 2,251 13,252 1,255 1,256 3,259 1,261 1,264 12,265 1,269 3,274 1,277 11,278 2,281 1082,282 17.422,283 17.422,284 17.422,285 17.422,286 17.422,287 16.399,288 18.47,289 10.657,290 17.529,291 13.231,292 13.231,293 13.231,294 13.231,295 13.231,296 11.624,297 25.238,298 4.862,299 13.383,300 4.465,301 2.891,302 1.768,303 0.923,304 0.819,305 0.716,306 3.964,311 1,312 1,313 564,314 4.472,317 83.635,318 102.301,325 1.556,326 32.28,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 56,338 280,339 4.567,340 4.026,341 7.627,342 4.505,343 3.502,344 3.745,345 2.341,346 13.9,347 3.51,348 4.065,349 3.711,350 5.905,351 3.684,352 2.705,353 3.592,354 1.907,355 8.088,356 2.657,357 3.835,358 2.871,359 5.622,360 3.634,361 2.638,362 2.995,363 0.149,364 7.788,365 2.61,366 3.405,367 2.701,368 5.108,369 3.113,370 2.145,371 2.631,373 6.166,374 2.067,375 2.972,376 2.247,377 4.675,378 2.661,379 1.655,380 2.004,382 4.215,383 1.656,384 2.68,385 2.024,386 3.962,387 2.445,388 1.441,389 1.739,391 3.134,392 1.432,393 2.654,394 1.444,395 3.618,396 2.406,397 1.408,398 1.607,400 2.796,401 1.402,402 2.433,403 1.369,404 3.594,405 2.207,406 1.219,407 1.428,409 2.566,410 1.201,411 2.283,412 1.21,413 3.527,414 2.113,415 1.124,416 1.255,418 2.424,419 1.106,420 1.846,421 1.016,422 3.38,423 1.739,424 0.733,425 0.779,427 1.464,428 0.73,429 1.618,430 0.618,431 3.152,432 1.618,433 0.618,434 0.618,436 1.367,437 0.618,438 1.382,439 0.482,440 2.851,441 1.267,442 0.274,443 0.294,445 0.44,446 0.272,447 1.173,448 0.418,449 2.478,450 0.774,451 -0.212,452 -0.267,454 -0.525,455 -0.207,456 0.683,457 0.342,458 2.467,459 0.671,460 -0.331,461 -0.34,463 -0.653,464 -0.331,465 0.662,466 -0.285,467 2.035,468 0.357,469 -0.633,470 -0.741,472 -1.294,473 -0.626,474 12.3,475 0.473,476 0.583,477 0.022,478 24.75,479 0.952,480 9.5,481 0.365,482 15.25,483 0.587,484 29.974,485 1.153,486 30.9,487 0.533,488 17.21,489 0.662,490 3.802,491 0.146,492 8.701,493 0.335,494 0.163,495 0.041,496 0.203,501 0.733,502 1.386,503 0.997,504 1.272,505 0.636,506 1.183,507 0.377,508 1.235,509 0.933,510 1.226,511 0.38,512 1.167,513 0.787,514 1.187,515 0.946,516 1.132,517 0.789,518 1.069,519 1.313,520 0.986,521 1.006,522 0.923,523 1.373,524 0.922,525 1.333,526 1.058,527 0.997,528 0.984,529 1.323,530 0.943,531 1.561,532 1.022,533 1.194,534 0.982,535 1.572,536 1.027,537 1.4,538 0.975,539 1.195,540 0.959,541 1.355,542 1.032,543 0.803,544 0.919,545 1.029,546 0.98,547 0.758,548 1.02,549 6,550 0.115,551 2.889,552 1.75,553 1.627,554 0.851,555 0.644,556 0.355,557 0.193,558 0.155,559 6884,560 15227,561 1.943,562 55.2,563 26,564 2,566 1,567 2,568 1,572 1.695,573 1.803,574 3.367,575 0.213,582 80.769,583 1.393,584 2.967,585 4.09,586 4.935,587 5.039,588 5.142,589 2.855,590 3.869,591 4.667,592 3.509,593 1140.33,594 8.114,595 14305.9,600 339.763,601 1.553,602 4.611,603 0.222,604 0.007,605 0.08,606 0.047,607 0.043,608 0.021,609 0.017,610 0.013,611 0.008,612 0.008,613 0.466,614 0.17,615 1,616 1.748,617 127.066,618 -0.042,619 -0.039,620 0.013,621 0.015,622 -0.018,623 0.019,624 0.245,625 -0.051,626 0.035,627 -0.065,628 0.19,629 -0.051,630 0.004,631 -0.143,632 0.021,633 -0.093,634 -0.013,635 -0.041,636 -0.074,637 0.005,638 0.018,639 0.04,640 -0.101,641 0.041,642 -0.09,643 -0.03,644 0.037,645 -0.005,646 -0.065,647 0.031,648 0.037,649 0.005,650 -0.11,651 -0.033,652 0.042,653 -0.084,654 -0.207,655 0.018,656 -0.179,657 -0.013,658 -0.165,659 -0.081,660 0.026,661 0.068,662 -0.067,663 -0.023,664 0.024,665 -0.051,666 2.453,667 6.08,668 0.423,669 23.183,670 0.99,671 1.135,672 3.74,673 13.987,674 0.617,675 3.332,676 3.611,677 3.829,678 4.025,679 4.159,680 4.143,681 4.111,682 4.111,683 4.025,684 3.932,685 6.205,686 0.571,687 360.55,688 3.332,689 4.844,690 5.666,691 6.532,692 7.387,693 8.263,694 9.131,695 10.011,696 10.886,697 11.77,698 3.4,705 1,708 1,715 3,716 1,720 2,722 6,741 58,743 8,745 27,747 59,748 21,749 5,756 2,757 2,763 2,764 1,766 1,767 4,770 10,772 7,773 14,774 1,777 2,782 2,786 2,793 32,794 5,795 2,796 5,802 2,808 1,809 3,822 1,828 1,829 1,843 1,845 1,857 1,859 2,864 2,868 26,875 1,876 10,877 1,880 1,882 1,893 5.2,895 1,896 2,901 14.417,902 10.567,903 6.069,904 4.215,907 1.138,908 1.175,909 0.888,910 7.93,911 7.632,912 3.497,913 3.922,914 4.294,915 4.674,916 5.049,917 5.081,918 5.168,919 5.381,920 5.398,921 5.388,922 1,923 37,924 9.77,926 4.109,927 0.026,929 7.798,931 18.933,933 15.636,936 2.298,937 59.75,941 353.133,942 82.124,943 34.796,945 92.973,948 82.124,949 446.106,950 34.796,951 17.65,952 43.356,953 18.952,954 127.144,955 12.233,956 2.328,957 341.362,959 353.133,960 116.92,961 92.973,964 353.133,965 92.973,968 70.054,969 30.081,970 16.786,972 353.133,973 127.769,974 82.124,977 353.133,978 36.473,979 45.65,980 18.011,981 109.759,982 353.133,983 127.769,984 82.124,986 0.559,987 0.326,988 0.174,989 0.097,990 14,991 7,992 0.169,993 10,995 1,996 3.653,997 204.435,999 11,1000 118.211,1005 20.737,1006 9.943,1007 5.715,1009 127.769,1010 5.661,1011 4.292,1015 1.754,1017 60.694,1018 563.026,1019 32,1024 24.682,1028 -0.844,1031 57.44,1032 65.853,1034 0.238,1035 0.507,1036 0.698,1037 0.843,1038 0.86,1039 0.878,1040 4.732,1041 1.219,1042 5.666,1043 2.796,1044 4.29,1045 4.605,1046 2.748,1047 6.512,1048 4.27,1049 5.892,1050 1.124,1051 7.256,1052 2.566,1053 4.007,1054 4.407,1055 2.591,1056 7.879,1057 3.991,1058 7.192,1059 0.733,1060 8.977,1061 2.424,1062 5.953,1063 6.584,1064 4.005,1065 10.93,1066 5.922,1067 8.532,1068 0.618,1069 10.785,1070 1.464,1071 6.567,1072 7.181,1073 4.392,1074 13.2,1075 6.55,1076 9.911,1077 0.274,1078 12.654,1079 1.367,1080 8.013,1081 8.886,1082 5.469,1083 15.909,1084 7.986,1085 11.317,1086 -0.212,1087 14.566,1088 0.44,1089 9.002,1090 9.813,1091 6.092,1092 18.444,1093 8.992,1094 12.743,1095 -0.331,1096 16.51,1097 -0.525,1098 10.291,1099 11.337,1100 7.032,1101 21.09,1102 10.277,1103 3.502,1104 -0.633,1105 18.477,1106 -0.653,1107 11.433,1108 12.419,1109 7.767,1110 23.696,1111 11.431,1112 2.705,1113 13.9,1114 20.461,1115 -1.294,1116 12.68,1117 13.856,1118 8.649,1119 26.329,1120 12.68,1121 2.638,1122 8.088,1123 22.457,1124 3.745,1125 13.883,1126 15.022,1127 9.44,1128 28.954,1129 13.891,1130 2.145,1131 7.788,1132 24.462,1133 3.592,1134 15.123,1135 16.412,1136 10.299,1137 31.586,1138 15.135,1139 1.655,1140 6.166,1141 26.473,1142 2.995,1143 16.353,1144 17.628,1145 11.117,1146 34.216,1147 16.37,1148 1.441,1149 4.215,1150 28.49,1151 2.631,1152 17.595,1153 18.989,1154 11.967,1155 36.847,1156 17.616,1157 1.408,1158 3.134,1159 30.511,1160 2.004,1161 18.836,1162 20.236,1163 12.8,1164 39.479,1165 18.862,1166 7130,1167 10726,1168 17.277,1169 35.796,1170 39.033,1171 40.145,1172 42.041,1173 38.965,1174 38.927,1175 45.378,1176 8.794,1177 108.698,1178 38.521,1179 5.536,1180 6.026,1181 7.491,1182 5.55,1183 5.502,1184 6.745,1185 3.925,1186 21.293,1187 5.48,1188 14.737,1189 1.446,1190 1.487,1191 1.557,1192 1.443,1193 1.442,1194 1.681,1195 0.326,1196 4.026,1197 1.427,1198 4.001,1199 4.042,1200 3.922,1201 3.891,1202 7.474,1203 3.89,1204 3.883,1205 3.926,1206 3.799,1207 3.791,1208 7.428,1209 3.787,1210 3.707,1211 3.759,1212 3.581,1213 3.569,1214 6.351,1215 3.56,1216 3.602,1217 3.676,1218 3.429,1219 3.453,1220 4.885,1221 3.437,1222 3.394,1223 3.454,1224 3.226,1225 3.202,1226 4.284,1227 3.194,1228 3.309,1229 3.354,1230 3.206,1231 3.061,1232 4.166,1233 3.091,1234 3.102,1235 3.19,1236 2.9,1237 2.9,1238 4.111,1239 2.886,1240 2.972,1241 3.018,1242 2.808,1243 2.743,1244 3.903,1245 2.748,1246 0.169,1247 0.149,1248 0.282,1249 0.167,1250 0.13,1251 4.567,1252 0.139,1253 4.026,1254 0.087,1255 7.627,1256 0.515,1257 4.505,1258 0.13,1259 3.502,1260 3.745,1261 2.341,1262 13.9,1263 3.51,1264 1.897,1265 1.859,1266 2.046,1267 2.034,1268 1.424,1269 2.035,1270 1.83,1271 1.791,1272 2.022,1273 1.967,1274 1.306,1275 1.985,1276 1.633,1277 1.573,1278 1.876,1279 1.821,1280 1.211,1281 1.845,1282 1.589,1283 1.526,1284 1.86,1285 1.76,1286 1.181,1287 1.793,1288 1.577,1289 1.507,1290 1.836,1291 1.751,1292 0.977,1293 1.789,1294 1.303,1295 1.253,1296 1.575,1297 1.565,1298 0.807,1299 1.558,1300 1.154,1301 1.066,1302 1.495,1303 1.409,1304 0.63,1305 1.44,1306 1.015,1307 0.946,1308 1.254,1309 1.29,1310 0.413,1311 1.29,1312 4.007,1314 5.293,1315 2.398,1316 6.777,1317 4.595,1318 8.358,1319 6.605,1320 9.994,1322 4.145,1327 9.525,1328 8.572,1329 2.985,1332 -0.451,1334 -0.57,1340 33.089,1341 80.769,1342 172.097,1343 237.194,1344 286.253,1345 292.253,1346 298.253,1347 85.377,1348 6.494,1349 79.29,1350 79.29,1351 11,1352 12.306,1353 3.17,1354 2.585,1355 54.751,1356 94,1357 118,1358 0.284,1359 208.363,1360 371.41,1361 500.166,1362 4508,1364 18.993,1365 0.731,1366 0.619,1367 18.993,1368 16.091,1369 12.503,1370 0.463,1371 0.37,1372 9.921,1373 12.165,1374 9.643,1375 8.108,1376 12.503,1377 9.997,1378 10.744,1379 0.298,1380 0.212,1381 10.744,1382 7.622,1383 8.46,1384 0.188,1385 0.123,1386 8.46,1387 5.551,1388 6.663,1389 0.121,1390 0.073,1391 6.663,1392 4.037,1393 5.079,1394 0.081,1395 0.04,1396 5.079,1397 2.548,1398 0.44,1399 77.613,1400 0.241,1401 25.017,1402 0.792,1403 126,1404 333.599,1405 136.473,1406 320.74,1407 421.58,1408 296,1409 144,1410 295.021,1411 153.478,1412 298.069,1413 430.81,1414 280,1415 5.523}
{0 CHEMBL211897,1 1.51,2 10.769,3 3.984,4 15.874,5 101.276,6 6.474,7 0.222,8 4.08,9 4.222,10 3.494,11 3.535,12 5.109,13 3.494,14 4.664,15 4.874,16 3.835,17 3.948,18 5.695,19 3.858,20 4.994,21 5.253,22 3.899,23 4.092,24 5.893,25 3.978,26 5.066,27 5.324,28 3.942,29 4.088,30 6.108,31 3.994,32 5.036,33 5.278,34 4.005,35 4.109,36 6.098,37 4.03,38 5.097,39 5.336,40 3.992,41 4.083,42 6.359,43 4.007,44 4.994,45 5.257,46 3.69,47 3.999,48 5.992,49 3.868,50 4.863,51 5.155,52 3.52,53 3.836,54 5.842,55 3.68,56 0.045,57 0.798,58 13.405,59 5.096,60 9.346,61 7.462,62 0.352,63 1.247,64 24.576,65 8.936,66 55.111,67 13.125,68 0.287,69 1.487,70 34.466,71 10.607,72 48.869,73 16.732,74 0.69,75 1.488,76 38.214,77 10.498,78 103.573,79 16.4,80 0.399,81 1.506,82 36.633,83 10.489,84 68.669,85 16.389,86 0.993,87 1.507,88 40.27,89 9.772,90 161.549,91 15.771,92 0.545,93 1.383,94 35.332,95 9.471,96 85.667,97 15.291,98 0.606,99 1.186,100 30.885,101 8.275,102 79.825,103 13.696,104 44,105 36,106 0.254,107 0.525,108 0.713,109 0.839,110 0.857,111 0.857,112 3.304,113 1.068,114 -4.47,115 -4.4,116 -4.15,121 33.9,122 2,123 8,124 1,125 1,127 1,144 1,147 1,149 1,152 1,160 2,170 1,174 1,176 11,177 1,179 1,180 4,183 5,185 4,187 11,188 2,192 5,197 6,200 7,201 2,205 2,206 8,209 1,210 1,211 6,214 7,215 3,219 11,220 1,224 4,225 1,227 6,228 2,231 1,232 11,235 3,236 1,237 5,239 5,244 4,245 2,249 5,251 5,255 2,256 3,259 2,261 3,264 4,269 3,274 1,275 1,277 5,278 1,281 1082,282 17.422,283 17.422,284 17.422,285 17.422,286 17.422,287 16.399,288 22.738,289 10.657,290 17.659,291 13.231,292 13.231,293 13.231,294 13.231,295 13.231,296 11.624,297 36.85,298 4.862,299 13.612,300 4.298,301 2.68,302 1.563,303 0.813,304 0.706,305 0.706,306 3.964,311 1,312 1,313 564,314 4.472,317 83.635,318 102.301,325 1.556,326 35.299,328 1,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 57,338 280,339 4.567,340 4.026,341 7.627,342 4.505,343 3.502,344 3.745,345 2.341,346 13.9,347 3.51,348 4.065,349 3.711,350 5.905,351 3.667,352 2.705,353 3.592,354 1.907,355 8.088,356 2.648,357 3.835,358 2.848,359 5.622,360 3.601,361 2.638,362 2.995,363 0.4,364 7.788,365 2.478,366 3.405,367 2.68,368 5.108,369 3.081,370 2.145,371 2.631,372 0.149,373 6.166,374 2.007,375 2.972,376 2.232,377 4.675,378 2.651,379 1.655,380 2.004,382 4.215,383 1.634,384 2.68,385 2.024,386 3.962,387 2.444,388 1.441,389 1.739,391 3.134,392 1.429,393 2.654,394 1.529,395 3.618,396 2.39,397 1.408,398 1.607,400 2.796,401 1.378,402 2.433,403 1.369,404 3.594,405 2.203,406 1.219,407 1.428,409 2.566,410 1.196,411 2.283,412 1.206,413 3.527,414 2.093,415 1.124,416 1.255,418 2.424,419 1.082,420 1.846,421 1.016,422 3.38,423 1.738,424 0.733,425 0.779,427 1.464,428 0.729,429 1.618,430 0.618,431 3.152,432 1.618,433 0.618,434 0.618,436 1.367,437 0.618,438 1.382,439 0.485,440 2.851,441 1.217,442 0.274,443 0.294,445 0.44,446 0.258,447 1.173,448 0.425,449 2.478,450 0.762,451 -0.212,452 -0.267,454 -0.525,455 -0.204,456 0.683,457 0.401,458 2.467,459 0.671,460 -0.331,461 -0.34,463 -0.653,464 -0.331,465 0.662,466 -0.285,467 2.035,468 0.314,469 -0.633,470 -0.741,472 -1.294,473 -0.596,474 12.1,475 0.465,476 0.583,477 0.022,478 26.25,479 1.01,480 10,481 0.385,482 16.25,483 0.625,484 28.317,485 1.089,486 31.1,487 0.555,488 18.867,489 0.726,490 4.263,491 0.164,492 8.241,493 0.317,494 0.165,495 0.041,496 0.207,501 0.791,502 1.559,503 0.954,504 1.328,505 0.653,506 1.185,507 0.395,508 1.185,509 0.894,510 1.232,511 0.387,512 1.16,513 0.838,514 1.237,515 0.911,516 1.134,517 0.813,518 1.044,519 1.315,520 0.876,521 1.018,522 0.862,523 1.418,524 0.889,525 1.261,526 1.169,527 0.981,528 1.07,529 1.3,530 0.989,531 1.569,532 0.971,533 1.199,534 0.909,535 1.606,536 0.978,537 1.409,538 1.057,539 1.224,540 1.003,541 1.376,542 1.07,543 0.87,544 0.875,545 1.047,546 0.899,547 0.786,548 0.976,549 6,550 0.115,551 2.889,552 1.75,553 1.627,554 0.851,555 0.644,556 0.355,557 0.193,558 0.155,559 6884,560 16831,561 1.943,562 53.6,563 20,564 3,566 1,567 3,568 1,569 2,572 1.695,573 1.803,574 3.367,575 0.974,577 1,582 84.54,583 1.51,584 3.127,585 4.245,586 4.995,587 5.102,588 5.102,589 2.855,590 3.869,591 4.667,592 3.509,593 1140.33,594 8.114,595 14305.9,597 1,599 1,600 325.212,601 1.553,602 4.611,603 0.222,604 0.007,605 0.08,606 0.047,607 0.043,608 0.021,609 0.017,610 0.013,611 0.008,612 0.008,613 0.466,614 0.17,615 1,616 1.748,617 127.066,618 -0.065,619 -0.152,620 0.016,621 -0.028,622 -0.027,623 0.001,624 0.289,625 0.034,626 0.057,627 -0.072,628 0.208,629 -0.057,630 -0.015,631 -0.198,632 0.051,633 -0.099,634 -0.013,635 -0.023,636 -0.064,637 0.113,638 0.011,639 0.088,640 -0.107,641 0.063,642 -0.104,643 -0.136,644 0.033,645 -0.06,646 -0.075,647 0.004,648 -0.019,649 0.039,650 -0.119,651 0.008,652 0.015,653 -0.059,654 -0.243,655 -0.058,656 -0.209,657 -0.054,658 -0.195,659 -0.117,660 0.054,661 0.102,662 -0.064,663 0.012,664 0.038,665 -0.037,666 2.479,667 6.02,668 0.423,669 23.183,670 0.998,671 1.143,672 3.244,673 10.526,674 0.612,675 3.332,676 3.611,677 3.829,678 4.025,679 4.159,680 4.143,681 4.111,682 4.111,683 4.025,684 3.932,685 6.205,686 0.573,687 362.53,688 3.332,689 4.844,690 5.666,691 6.532,692 7.387,693 8.263,694 9.131,695 10.011,696 10.886,697 11.77,698 7.1,703 1,705 1,708 2,715 2,716 2,720 2,722 6,734 1,741 56,743 8,745 27,747 57,748 19,749 4,756 2,757 2,763 2,764 1,766 1,767 4,770 8,772 6,773 13,774 1,777 2,782 2,786 2,790 1,793 30,794 7,795 3,796 7,802 4,808 1,809 3,823 1,828 1,829 1,843 1,845 1,857 1,859 2,864 2,868 26,875 1,876 9,877 2,880 1,882 1,893 5.4,895 1,896 2,901 14.417,902 10.183,903 6.069,904 3.961,907 1.138,908 1.175,909 0.887,910 7.831,911 7.632,912 3.497,913 3.922,914 4.294,915 4.674,916 5.049,917 5.081,918 5.168,919 5.381,920 5.398,921 5.388,922 1,923 37,924 9.744,926 4.097,927 0.026,929 7.875,931 18.62,933 15.142,936 2.375,937 61.75,939 1,940 1,941 317.82,942 68.398,943 69.593,945 92.973,948 68.398,949 410.793,950 69.593,951 17.65,952 40.393,953 9.476,954 161.941,955 9.047,956 4.227,957 306.049,959 317.82,960 137.99,961 92.973,964 294.278,965 116.515,968 68.99,969 17.419,970 51.582,972 317.82,973 162.566,974 68.398,977 317.82,978 32.223,979 36.174,980 36.022,981 126.544,982 317.82,983 162.566,984 68.398,986 0.559,987 0.326,988 0.174,989 0.097,990 14,991 7,992 0.175,993 10,995 1,996 3.653,997 204.435,999 11,1000 118.211,1005 20.634,1006 9.867,1007 5.662,1009 162.566,1010 3.372,1011 8.474,1015 0.941,1017 78.705,1018 548.783,1019 32,1024 24.601,1028 -0.96,1031 55.876,1032 64.019,1034 0.26,1035 0.538,1036 0.731,1037 0.86,1038 0.879,1039 0.879,1040 4.732,1041 1.219,1042 5.666,1043 2.796,1044 4.29,1045 4.605,1046 2.768,1047 6.512,1048 4.24,1049 5.892,1050 1.124,1051 7.256,1052 2.566,1053 4.007,1054 4.407,1055 2.591,1056 7.879,1057 3.96,1058 7.192,1059 0.733,1060 8.977,1061 2.424,1062 5.953,1063 6.584,1064 4.006,1065 10.93,1066 5.873,1067 8.532,1068 0.618,1069 10.785,1070 1.464,1071 6.567,1072 7.181,1073 4.392,1074 13.2,1075 6.515,1076 9.911,1077 0.274,1078 12.654,1079 1.367,1080 8.013,1081 8.886,1082 5.469,1083 15.909,1084 7.939,1085 11.317,1086 -0.212,1087 14.566,1088 0.44,1089 9.002,1090 9.813,1091 6.092,1092 18.444,1093 8.959,1094 12.743,1095 -0.331,1096 16.51,1097 -0.525,1098 10.291,1099 11.337,1100 7.032,1101 21.09,1102 10.242,1103 3.502,1104 -0.633,1105 18.477,1106 -0.653,1107 11.433,1108 12.419,1109 7.767,1110 23.696,1111 11.406,1112 2.705,1113 13.9,1114 20.461,1115 -1.294,1116 12.68,1117 13.856,1118 8.649,1119 26.329,1120 12.656,1121 2.638,1122 8.088,1123 22.457,1124 3.745,1125 13.883,1126 15.022,1127 9.44,1128 28.954,1129 13.873,1130 2.145,1131 7.788,1132 24.462,1133 3.592,1134 15.123,1135 16.412,1136 10.299,1137 31.586,1138 15.119,1139 1.655,1140 6.166,1141 26.473,1142 2.995,1143 16.353,1144 17.628,1145 11.117,1146 34.216,1147 16.358,1148 1.441,1149 4.215,1150 28.49,1151 2.631,1152 17.595,1153 18.989,1154 11.967,1155 36.847,1156 17.606,1157 1.408,1158 3.134,1159 30.511,1160 2.004,1161 18.836,1162 20.236,1163 12.8,1164 39.479,1165 18.853,1166 7130,1167 11278,1168 17.277,1169 34.285,1170 39.033,1171 40.204,1172 42.041,1173 38.947,1174 38.927,1175 45.378,1176 9.594,1177 108.698,1178 37.934,1179 5.536,1180 6.026,1181 7.491,1182 5.577,1183 5.502,1184 6.745,1185 3.925,1186 21.293,1187 5.479,1188 14.737,1189 1.446,1190 1.489,1191 1.557,1192 1.442,1193 1.442,1194 1.681,1195 0.355,1196 4.026,1197 1.405,1198 3.99,1199 4.034,1200 3.91,1201 3.875,1202 7.474,1203 3.872,1204 3.843,1205 3.902,1206 3.779,1207 3.666,1208 7.428,1209 3.69,1210 3.707,1211 3.759,1212 3.58,1213 3.569,1214 6.351,1215 3.559,1216 3.585,1217 3.665,1218 3.412,1219 3.415,1220 5.002,1221 3.401,1222 3.394,1223 3.453,1224 3.226,1225 3.202,1226 4.286,1227 3.193,1228 3.305,1229 3.347,1230 3.205,1231 3.048,1232 4.266,1233 3.083,1234 3.037,1235 3.141,1236 2.864,1237 2.76,1238 4.112,1239 2.771,1240 2.96,1241 3.011,1242 2.786,1243 2.674,1244 3.953,1245 2.692,1246 0.169,1247 0.149,1248 0.282,1249 0.167,1250 0.13,1251 4.567,1252 0.139,1253 4.026,1254 0.087,1255 7.627,1256 0.515,1257 4.505,1258 0.13,1259 3.502,1260 3.745,1261 2.341,1262 13.9,1263 3.51,1264 1.849,1265 1.811,1266 2.029,1267 2.018,1268 1.424,1269 2.01,1270 1.767,1271 1.712,1272 1.944,1273 1.957,1274 1.211,1275 1.958,1276 1.62,1277 1.562,1278 1.865,1279 1.815,1280 1.181,1281 1.836,1282 1.577,1283 1.507,1284 1.86,1285 1.756,1286 1.164,1287 1.793,1288 1.572,1289 1.502,1290 1.79,1291 1.751,1292 0.809,1293 1.782,1294 1.302,1295 1.253,1296 1.574,1297 1.565,1298 0.788,1299 1.557,1300 1.059,1301 0.98,1302 1.389,1303 1.374,1304 0.494,1305 1.378,1306 0.967,1307 0.867,1308 1.234,1309 1.272,1310 0.413,1311 1.279,1312 4.007,1314 5.293,1315 2.398,1316 6.777,1317 4.595,1318 8.358,1319 6.605,1320 9.994,1322 4.038,1327 9.505,1328 6.889,1329 6.005,1332 -0.484,1334 -0.631,1340 32.078,1341 84.54,1342 175.115,1343 237.702,1344 279.702,1345 285.702,1346 285.702,1347 83.44,1348 6.494,1349 104.21,1350 104.21,1351 11,1352 12.306,1353 3.17,1354 2.585,1355 54.751,1356 94,1357 118,1358 0.284,1359 202.767,1360 358.81,1361 486.512,1362 4508,1364 18.993,1365 0.731,1366 0.606,1367 18.993,1368 15.754,1369 12.503,1370 0.463,1371 0.356,1372 9.505,1373 12.035,1374 9.269,1375 7.786,1376 12.503,1377 9.616,1378 10.744,1379 0.298,1380 0.199,1381 10.744,1382 7.162,1383 8.46,1384 0.188,1385 0.113,1386 8.46,1387 5.103,1388 6.663,1389 0.121,1390 0.068,1391 6.663,1392 3.713,1393 5.079,1394 0.081,1395 0.036,1396 5.079,1397 2.295,1398 0.44,1399 78.476,1400 0.241,1401 25.017,1402 0.792,1403 126,1404 367.577,1405 140.413,1406 350.531,1407 462.3,1408 324,1409 144,1410 327.528,1411 157.142,1412 327.682,1413 475.49,1414 308,1415 5.523}
{0 CHEMBL211943,1 1.567,2 10,3 3.465,4 12.009,5 89.683,6 6.846,7 0.24,8 3.963,9 4.089,10 3.429,11 3.412,12 5.062,13 3.389,14 4.536,15 4.725,16 3.772,17 3.823,18 5.623,19 3.758,20 4.848,21 5.08,22 3.85,23 3.978,24 5.83,25 3.886,26 4.958,27 5.204,28 3.838,29 3.977,30 6.027,31 3.894,32 4.93,33 5.167,34 3.891,35 3.989,36 6.043,37 3.91,38 4.959,39 5.185,40 3.859,41 3.949,42 6.236,43 3.871,44 4.874,45 5.141,46 3.531,47 3.835,48 5.905,49 3.701,50 4.678,51 4.979,52 3.338,53 3.593,54 5.646,55 3.443,56 0.08,57 0.683,58 11.259,59 4.65,60 12.23,61 6.319,62 0.376,63 1.067,64 21.14,65 7.783,66 57.647,67 11.111,68 0.384,69 1.306,70 29.648,71 9.614,72 57.274,73 14.429,74 0.681,75 1.328,76 34.469,77 9.372,78 109.293,79 14.406,80 0.578,81 1.315,82 33.039,83 9.78,84 88.711,85 14.676,86 0.923,87 1.292,88 34.84,89 9.267,90 157.072,91 14.07,92 0.709,93 1.19,94 31.904,95 8.293,96 98.152,97 13.3,98 0.466,99 0.926,100 26.127,101 7.142,102 64.646,103 11.571,104 38,105 34,106 0.271,107 0.548,108 0.728,109 0.846,110 0.846,111 0.846,112 3.228,113 1.011,114 -4.41,115 -4.34,116 -4.09,121 34.7,122 1,123 7,124 1,125 1,126 1,144 2,149 2,160 2,168 1,170 1,174 1,176 11,177 1,179 1,180 5,183 3,185 3,187 11,188 2,191 1,192 8,195 1,197 6,200 7,201 2,205 1,206 7,211 5,214 7,215 3,218 1,219 9,220 1,222 1,224 4,225 1,227 9,228 2,231 1,232 9,235 2,236 1,237 3,239 10,243 1,244 6,245 1,249 1,251 6,252 1,255 1,256 6,257 1,259 1,261 1,264 2,265 1,268 1,269 6,272 1,274 1,277 2,281 896,282 16.007,283 16.007,284 16.007,285 16.007,286 16.007,287 14.985,288 19.146,289 9.489,290 16.307,291 12.176,292 12.176,293 12.176,294 12.176,295 12.176,296 10.557,297 26.501,298 4.251,299 12.546,300 4.048,301 2.447,302 1.404,303 0.725,304 0.725,305 0.725,306 3.885,310 1,311 1,312 1,313 485,314 4.243,317 77.981,318 93.262,325 1.417,326 34.599,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 53.5,338 240,339 4.567,340 4.026,341 7.627,342 4.505,343 3.502,344 3.727,345 2.341,346 13.9,347 3.51,348 4.03,349 3.711,350 5.905,351 3.664,352 2.676,353 3.575,354 1.907,355 8.077,356 2.649,357 3.836,358 2.886,359 5.516,360 3.573,361 2.621,362 2.997,363 0.86,364 7.424,365 2.473,366 3.49,367 2.741,368 5.183,369 3.124,370 2.206,371 2.757,372 0.149,373 6.412,374 2.019,375 2.971,376 2.365,377 4.711,378 2.651,379 1.644,380 1.985,382 4.252,383 1.641,384 2.654,385 2.024,386 3.962,387 2.441,388 1.435,389 1.607,391 3.133,392 1.426,393 2.5,394 1.369,395 3.618,396 2.208,397 1.202,398 1.5,400 2.618,401 1.203,402 2.287,403 1.16,404 3.587,405 1.983,406 1,407 1.264,409 2.275,410 0.982,411 1.849,412 1.016,413 3.414,414 1.744,415 0.744,416 0.787,418 1.464,419 0.737,420 1.73,421 1,422 3.186,423 1.618,424 0.618,425 0.62,427 1.38,428 0.618,429 1.618,430 0.618,431 2.923,432 1.43,433 0.553,434 0.618,436 0.889,437 0.479,438 1.138,439 0.526,440 2.61,441 0.782,442 -0.172,443 -0.209,445 -0.34,446 -0.162,447 0.683,448 0.423,449 2.467,450 0.672,451 -0.33,452 -0.333,454 -0.637,455 -0.33,456 0.554,457 -0.187,458 2,459 0.126,460 -0.851,461 -0.928,463 -1.908,464 -0.805,465 0.5,466 -0.317,467 1.891,468 0.104,469 -0.924,470 -1.076,472 -2,473 -0.892,474 11.033,475 0.46,476 0.583,477 0.024,478 24.75,479 1.031,480 10,481 0.417,482 14.75,483 0.615,484 24.503,485 1.021,486 28.567,487 0.583,488 17.969,489 0.749,490 4.337,491 0.181,492 7.166,493 0.299,494 0.181,495 0.045,496 0.227,501 0.745,502 1.396,503 0.876,504 1.314,505 0.636,506 1.149,507 0.549,508 1.214,509 0.842,510 1.177,511 0.418,512 1.095,513 0.751,514 1.238,515 0.917,516 1.201,517 0.807,518 1.11,519 1.232,520 0.941,521 1.049,522 0.899,523 1.418,524 0.925,525 1.034,526 1.039,527 0.953,528 1.029,529 1.277,530 0.981,531 1.271,532 1.044,533 1.129,534 1,535 1.492,536 1.035,537 1.108,538 0.945,539 1.171,540 0.938,541 1.178,542 1.037,543 0.687,544 0.876,545 0.832,546 0.907,547 0.639,548 0.89,549 6,550 0.115,551 3.111,552 1.5,553 1.707,554 0.823,555 0.461,556 0.378,557 0.178,558 0.126,559 5494,560 15791,561 1.939,562 51,563 17,564 5,567 2,568 1,572 1.673,573 1.789,574 3.254,575 0.337,577 1,582 76.783,583 1.567,584 3.168,585 4.21,586 4.89,587 4.89,588 4.89,589 2.721,590 3.804,591 4.552,592 3.4,593 938.32,594 7.882,595 11002.8,597 1,599 1,600 275.121,601 1.613,602 4.488,603 0.24,604 0.011,605 0.092,606 0.043,607 0.05,608 0.023,609 0.014,610 0.016,611 0.009,612 0.008,613 0.507,614 0.17,615 1,616 1.611,617 113.615,618 -0.019,619 -0.027,620 0.026,621 -0.033,622 -0.011,623 -0.003,624 0.202,625 -0.035,626 0.077,627 -0.018,628 0.195,629 -0.009,630 0.026,631 -0.174,632 0.02,633 -0.143,634 -0.003,635 -0.077,636 -0.155,637 0.045,638 -0.049,639 0.053,640 -0.159,641 0.031,642 -0.036,643 -0.036,644 0.027,645 -0.028,646 -0.062,647 0.009,648 -0.021,649 -0.069,650 -0.104,651 -0.045,652 0.001,653 -0.089,654 -0.131,655 0.023,656 -0.184,657 -0.022,658 -0.14,659 -0.096,660 0.084,661 0.022,662 0.127,663 0.002,664 0.077,665 0.069,666 2.486,667 5.85,668 0.458,669 19.944,670 1.007,671 1.141,672 3.18,673 10.115,674 0.617,675 3.258,676 3.555,677 3.784,678 3.951,679 4.094,680 4.06,681 3.989,682 3.989,683 3.85,684 3.714,685 5.779,686 0.586,687 335.45,688 3.258,689 4.779,690 5.609,691 6.479,692 7.339,693 8.215,694 9.087,695 9.966,696 10.844,697 11.727,698 6.1,705 1,708 2,715 2,716 2,720 2,722 6,739 1,741 49,743 8,745 25,747 50,748 17,749 4,756 2,757 2,763 1,764 1,766 1,767 4,770 7,772 6,773 11,774 1,777 2,782 2,786 2,789 1,790 1,793 25,794 7,795 2,796 7,802 3,808 1,809 4,821 1,828 1,829 1,843 1,845 1,857 1,859 2,864 2,868 24,875 1,876 7,877 1,878 1,880 1,882 1,893 8.2,895 1,896 2,898 1,901 13.417,902 9.1,903 5.569,904 3.239,907 1.082,908 1.171,909 0.874,910 6.555,911 7.395,912 3.434,913 3.882,914 4.266,915 4.614,916 5.014,917 4.99,918 5.059,919 5.219,920 5.173,921 5.189,922 0.857,923 35,924 8.964,926 3.793,927 0.026,929 7.99,931 16.889,933 13.71,936 2.49,937 59.75,940 1,941 270.735,942 69.16,943 51.337,945 103.973,948 69.16,949 374.708,950 51.337,951 19.708,952 35.752,953 18.952,954 131.914,955 11,956 7.143,957 270.735,959 270.735,960 120.496,961 103.973,964 270.735,965 103.973,968 44.578,969 42.593,970 33.326,972 270.735,973 155.31,974 69.16,977 270.735,978 30.499,979 38.661,980 18.011,981 137.299,982 270.735,983 155.31,984 69.16,986 0.569,987 0.339,988 0.173,989 0.094,990 14,991 7,992 0.16,993 8,995 1,996 3.466,997 184.25,999 11,1000 106.039,1005 18.66,1006 8.431,1007 4.675,1009 155.31,1010 3.258,1011 7.756,1015 0.729,1017 60.694,1018 495.205,1019 30,1024 24.353,1028 -0.97,1031 49.334,1032 55.9,1034 0.279,1035 0.564,1036 0.75,1037 0.871,1038 0.871,1039 0.871,1040 4.677,1041 1,1042 5.624,1043 2.618,1044 4.234,1045 4.564,1046 2.838,1047 6.482,1048 4.187,1049 5.853,1050 0.744,1051 7.228,1052 2.275,1053 4.007,1054 4.407,1055 2.591,1056 7.879,1057 3.959,1058 7.163,1059 0.618,1060 8.958,1061 1.464,1062 5.922,1063 6.567,1064 4.025,1065 10.915,1066 5.851,1067 8.511,1068 0.553,1069 10.772,1070 1.38,1071 6.567,1072 7.181,1073 4.392,1074 13.195,1075 6.516,1076 9.897,1077 -0.172,1078 12.644,1079 0.889,1080 7.995,1081 8.875,1082 5.472,1083 15.902,1084 7.934,1085 11.306,1086 -0.33,1087 14.559,1088 -0.34,1089 8.997,1090 9.8,1091 6.092,1092 18.441,1093 8.96,1094 12.733,1095 -0.851,1096 16.504,1097 -0.637,1098 10.279,1099 11.317,1100 7.032,1101 21.087,1102 10.242,1103 3.502,1104 -0.924,1105 18.472,1106 -1.908,1107 11.426,1108 12.39,1109 7.767,1110 23.694,1111 11.407,1112 2.676,1113 13.9,1114 20.456,1115 -2,1116 12.671,1117 13.824,1118 8.65,1119 26.328,1120 12.656,1121 2.621,1122 8.077,1123 22.453,1124 3.727,1125 13.876,1126 14.979,1127 9.44,1128 28.953,1129 13.874,1130 2.206,1131 7.424,1132 24.458,1133 3.575,1134 15.117,1135 16.367,1136 10.299,1137 31.585,1138 15.12,1139 1.644,1140 6.412,1141 26.471,1142 2.997,1143 16.347,1144 17.572,1145 11.117,1146 34.215,1147 16.358,1148 1.435,1149 4.252,1150 28.488,1151 2.757,1152 17.59,1153 18.931,1154 11.967,1155 36.847,1156 17.607,1157 1.202,1158 3.133,1159 30.509,1160 1.985,1161 18.832,1162 20.169,1163 12.8,1164 39.479,1165 18.854,1166 5690,1167 9770,1168 15.89,1169 30.211,1170 36.661,1171 37.81,1172 39.428,1173 36.412,1174 36.403,1175 42.876,1176 10.514,1177 103.647,1178 35.473,1179 5.536,1180 6.026,1181 7.39,1182 5.55,1183 5.502,1184 6.727,1185 3.925,1186 21.289,1187 5.48,1188 13.862,1189 1.466,1190 1.512,1191 1.577,1192 1.456,1193 1.456,1194 1.715,1195 0.421,1196 4.146,1197 1.419,1198 3.988,1199 4.029,1200 3.906,1201 3.876,1202 7.474,1203 3.873,1204 3.824,1205 3.871,1206 3.768,1207 3.657,1208 7.428,1209 3.679,1210 3.705,1211 3.757,1212 3.579,1213 3.568,1214 6.351,1215 3.558,1216 3.397,1217 3.456,1218 3.256,1219 3.202,1220 5.09,1221 3.194,1222 3.341,1223 3.385,1224 3.216,1225 3.058,1226 4.484,1227 3.097,1228 3.179,1229 3.237,1230 3.01,1231 2.91,1232 4.283,1233 2.92,1234 2.953,1235 2.997,1236 2.784,1237 2.671,1238 4.112,1239 2.671,1240 2.869,1241 2.979,1242 2.583,1243 2.643,1244 3.927,1245 2.635,1246 0.183,1247 0.161,1248 0.305,1249 0.18,1250 0.14,1251 4.567,1252 0.149,1253 4.026,1254 0.094,1255 7.627,1256 0.556,1257 4.505,1258 0.14,1259 3.502,1260 3.727,1261 2.341,1262 13.9,1263 3.51,1264 1.85,1265 1.813,1266 2.03,1267 2.01,1268 1.424,1269 2.007,1270 1.745,1271 1.704,1272 1.88,1273 1.936,1274 1.211,1275 1.92,1276 1.603,1277 1.55,1278 1.86,1279 1.778,1280 1.182,1281 1.799,1282 1.577,1283 1.507,1284 1.82,1285 1.751,1286 0.844,1287 1.793,1288 1.303,1289 1.253,1290 1.578,1291 1.572,1292 0.805,1293 1.564,1294 1.196,1295 1.124,1296 1.559,1297 1.51,1298 0.57,1299 1.522,1300 0.959,1301 0.889,1302 1.215,1303 1.275,1304 0.412,1305 1.259,1306 0.77,1307 0.725,1308 1.168,1309 1.172,1310 0.158,1311 1.149,1312 3.932,1314 5.231,1315 2.398,1316 6.73,1317 4.595,1318 8.32,1319 6.605,1320 9.961,1322 3.458,1327 9.44,1328 5.086,1329 2.801,1330 4.948,1332 -0.485,1334 -0.625,1340 28.718,1341 76.783,1342 155.231,1343 206.308,1344 239.611,1345 239.611,1346 239.611,1347 73.697,1348 6.314,1349 101.41,1350 101.41,1351 11,1352 12.262,1353 3.17,1354 2.585,1355 48.209,1356 79,1357 100,1358 0.293,1359 180.784,1360 322,1361 432.874,1362 3430,1364 17.579,1365 0.732,1366 0.594,1367 17.579,1368 14.248,1369 11.503,1370 0.46,1371 0.337,1372 8.295,1373 10.951,1374 8.079,1375 6.763,1376 11.503,1377 8.425,1378 9.998,1379 0.294,1380 0.189,1381 9.998,1382 6.43,1383 8.146,1384 0.189,1385 0.111,1386 8.146,1387 4.757,1388 6.167,1389 0.121,1390 0.068,1391 6.167,1392 3.453,1393 4.687,1394 0.079,1395 0.036,1396 4.687,1397 2.112,1398 0.451,1399 73.183,1400 0.251,1401 23.289,1402 0.828,1403 118,1404 388.979,1405 133.182,1406 364.049,1407 475.2,1408 336,1409 136,1410 333.564,1411 150.3,1412 333.068,1413 478.45,1414 310,1415 5.523}
{0 CHEMBL212001,1 1.739,2 8.55,3 2.048,4 4.196,5 77.02,6 7.626,7 0.238,8 3.749,9 3.868,10 3.367,11 3.275,12 4.852,13 3.219,14 4.317,15 4.495,16 3.791,17 3.686,18 5.437,19 3.593,20 4.612,21 4.842,22 3.662,23 3.772,24 5.587,25 3.638,26 4.657,27 4.894,28 3.668,29 3.714,30 5.749,31 3.607,32 4.561,33 4.804,34 3.672,35 3.628,36 5.682,37 3.532,38 4.461,39 4.662,40 3.689,41 3.556,42 5.879,43 3.452,44 4.286,45 4.495,46 3.201,47 3.353,48 5.472,49 3.227,50 3.923,51 4.131,52 3.1,53 3.079,54 5.105,55 2.967,56 0.087,57 0.585,58 8.869,59 3.986,60 12.291,61 4.95,62 0.292,63 0.944,64 18.537,65 6.465,66 48.394,67 9.012,68 0.369,69 1.071,70 27.051,71 8.724,72 59.331,73 11.534,74 0.583,75 1.055,76 29.721,77 7.8,78 86.238,79 10.588,80 0.468,81 0.955,82 24.769,83 7,84 67.751,85 9.616,86 0.71,87 0.882,88 27.887,89 7.023,90 114.449,91 8.386,92 0.508,93 0.732,94 23.48,95 5.478,96 72.152,97 6.622,98 0.307,99 0.523,100 13.556,101 3.87,102 38.276,103 5.29,104 23,105 29,106 0.318,107 0.557,108 0.731,109 0.821,110 0.821,111 0.821,112 3.057,113 1.104,114 -3.16,115 -3.16,116 -3.03,121 33.3,122 1,123 7,125 1,160 2,163 1,164 1,168 1,170 1,174 1,176 8,177 1,180 5,183 3,185 3,187 9,188 1,192 6,195 1,197 4,200 5,201 1,205 1,206 7,211 5,214 3,215 2,218 1,219 6,220 1,224 3,225 1,227 3,228 2,231 1,232 9,235 2,236 1,237 2,239 4,244 4,245 1,251 4,252 1,255 1,256 1,257 1,259 1,261 1,264 6,268 1,272 1,277 3,278 1,281 522,282 13.223,283 13.223,284 13.223,285 13.223,286 13.223,287 12.306,288 17.258,289 7.755,290 13.541,291 10.249,292 10.249,293 10.249,294 10.249,295 10.249,296 8.751,297 23.096,298 3.546,299 10.801,300 3.547,301 2.233,302 1.281,303 0.789,304 0.789,305 0.789,306 3.707,310 1,311 1,312 1,313 348,314 3.742,317 126.087,325 1.25,326 28.652,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 44.5,338 171,339 4.553,340 4.018,341 7.614,342 4.489,343 3.486,344 3.778,345 2.341,346 13.808,347 3.493,348 4.101,349 3.592,350 5.661,351 3.586,352 2.726,353 3.601,354 1.907,355 7.9,356 2.338,357 3.533,358 2.894,359 5.057,360 3.197,361 2.192,362 2.696,363 0.149,364 5.874,365 2.174,366 3.284,367 2.688,368 4.691,369 2.969,370 2.034,371 2.439,373 5.142,374 1.897,375 2.908,376 2.142,377 4.578,378 2.576,379 1.593,380 1.925,382 4.075,383 1.541,384 2.345,385 1.441,386 3.75,387 2.223,388 1.218,389 1.316,391 2.778,392 1.213,393 2.218,394 1.051,395 3.618,396 1.697,397 0.76,398 1.084,400 1.758,401 0.699,402 1.618,403 0.892,404 3.292,405 1.618,406 0.618,407 0.618,409 1.464,410 0.618,411 1.617,412 0.618,413 3.117,414 1.475,415 0.475,416 0.509,418 1.067,419 0.467,420 1.497,421 0.465,422 2.844,423 1.245,424 0.333,425 0.378,427 0.489,428 0.298,429 0.973,430 0.38,431 2.506,432 0.547,433 -0.411,434 -0.518,436 -1.044,437 -0.385,438 0.503,439 0.241,440 2.057,441 0.153,442 -0.879,443 -0.896,445 -2,446 -0.847,447 0.147,448 -0.513,449 1.844,450 -0.028,451 -1,452 -1.308,454 -2.312,455 -1.002,456 0.081,457 -0.605,458 1.382,459 -0.229,460 -1.205,461 -1.412,463 -2.856,464 -1.129,466 -0.978,467 1.361,468 -0.308,469 -1.298,470 -1.584,472 -3.379,473 -1.226,474 9.533,475 0.477,476 0.532,477 0.027,478 19.75,479 0.988,480 7.5,481 0.375,482 12.25,483 0.613,484 20.229,485 1.011,486 23.467,487 0.602,488 11.968,489 0.598,490 3.171,491 0.159,492 6.384,493 0.319,494 0.157,495 0.052,496 0.21,501 0.706,502 1.229,503 0.784,504 1.034,505 0.619,506 1.035,507 0.333,508 1.3,509 0.72,510 1.153,511 0.372,512 1.083,513 0.851,514 1.145,515 0.992,516 1.11,517 0.865,518 1.09,519 1.226,520 0.991,521 1.071,522 0.97,523 1.249,524 0.976,525 1.14,526 0.909,527 0.792,528 0.768,529 1.14,530 0.842,531 1.305,532 1.031,533 1.474,534 1.186,535 1.252,536 0.964,537 1.917,538 0.974,539 1.825,540 1.205,541 1.778,542 1.119,543 0.865,544 1.052,545 0.96,546 1.15,547 0.941,548 1.226,549 5.5,550 0.033,551 2.444,552 1.319,553 1.14,554 0.618,555 0.389,556 0.197,557 0.105,558 0.114,559 3391,560 10770,561 1.955,562 48.7,563 13,567 2,568 4,572 1.621,573 1.805,574 3.064,575 0.459,576 1,577 1,579 1,582 67.805,583 1.739,584 3.052,585 4.004,586 4.497,587 4.497,588 4.497,589 2.485,590 3.822,591 4.29,592 3.202,593 608.331,594 7.347,595 6251.92,596 1,597 1,599 1,600 206.131,601 1.619,602 4.225,603 0.262,604 0.011,605 0.084,606 0.051,607 0.046,608 0.025,609 0.016,610 0.013,611 0.009,612 0.014,613 0.531,614 0.5,615 1,616 1.445,617 88.432,618 -0.03,619 0.061,620 0.047,621 0.081,622 -0.012,623 0.038,624 0.296,625 -0.157,626 0.186,627 -0.063,628 0.209,629 -0.019,630 -0.043,631 -0.155,632 -0.049,633 -0.104,634 -0.049,635 -0.08,636 -0.158,637 -0.017,638 -0.094,639 -0.035,640 -0.147,641 -0.036,642 -0.093,643 0.039,644 0.099,645 0.1,646 -0.075,647 0.091,648 0.063,649 0.021,650 -0.134,651 -0.011,652 0.117,653 -0.013,654 -0.527,655 0.087,656 -0.534,657 -0.084,658 -0.371,659 -0.199,660 0.084,661 -0.01,662 -0.065,663 -0.205,664 0.014,665 -0.26,666 2.52,667 5.482,668 0.5,669 14.91,670 1.011,671 1.138,672 1.933,673 3.737,674 0.644,675 3.091,676 3.401,677 3.611,678 3.784,679 3.807,680 3.807,681 3.714,682 3.738,683 3.497,684 3.332,685 5.106,686 0.605,687 297.42,688 3.091,689 4.615,690 5.442,691 6.315,692 7.172,693 8.05,694 8.92,695 9.8,696 10.675,697 11.557,698 7.7,705 1,708 2,716 2,719 1,720 2,722 5,741 39,743 7,745 21,747 40,748 13,749 2,756 2,757 2,763 1,764 1,766 1,767 4,770 7,772 4,773 9,777 2,782 2,786 2,789 1,790 1,793 19,794 6,795 2,796 7,797 1,802 3,808 1,809 3,828 2,843 1,845 1,857 1,859 2,862 1,864 1,868 20,875 1,876 7,877 1,882 1,893 7.7,895 1,896 2,901 11.083,902 7.1,903 4.542,904 2.669,907 0.896,908 1.15,909 0.889,910 5.084,911 6.89,912 3.277,913 3.744,914 4.109,915 4.489,916 4.545,917 4.68,918 4.737,919 4.786,920 4.681,921 4.638,922 0.833,923 26,924 7.461,926 3.186,927 0.026,929 8.038,931 14.105,933 11.646,936 2.538,937 50.75,938 0.001,941 200.109,942 64.889,943 51.337,945 92.973,947 31.278,948 33.612,949 293.082,950 51.337,951 8.825,952 35.752,954 132.843,955 0.501,957 231.386,959 200.109,960 84.949,961 92.973,962 31.278,964 200.109,965 92.973,968 46.008,969 5.615,970 33.326,971 31.278,972 200.109,973 144.31,974 64.889,977 200.109,978 56.064,979 8.825,980 18.011,981 126.299,982 200.109,983 144.31,984 64.889,986 0.576,987 0.329,988 0.166,989 0.084,990 13,991 6,992 0.15,993 6,995 1,996 3.169,997 141.844,999 10,1000 82.439,1001 1,1005 15.365,1006 6.618,1007 3.763,1009 144.31,1011 7.916,1014 1.373,1015 1.389,1017 60.694,1018 409.308,1019 25.5,1024 23.251,1028 -0.955,1031 39.433,1032 44.365,1034 0.329,1035 0.577,1036 0.758,1037 0.851,1038 0.851,1039 0.851,1040 4.525,1041 0.618,1042 5.468,1043 1.758,1044 4.078,1045 4.425,1046 2.748,1047 6.33,1048 3.99,1049 5.713,1050 0.475,1051 7.074,1052 1.464,1053 3.892,1054 4.331,1055 2.591,1056 7.784,1057 3.794,1058 7.033,1059 0.333,1060 8.809,1061 1.067,1062 5.778,1063 6.45,1064 4.005,1065 10.804,1066 5.642,1067 8.392,1068 -0.411,1069 10.631,1070 0.489,1071 6.463,1072 7.163,1073 4.392,1074 13.129,1075 6.354,1076 9.787,1077 -0.879,1078 12.515,1079 -1.044,1080 7.876,1081 8.787,1082 5.469,1083 15.83,1084 7.752,1085 11.206,1086 -1,1087 14.444,1088 -2,1089 8.906,1090 9.829,1091 6.092,1092 18.383,1093 8.818,1094 12.642,1095 -1.205,1096 16.404,1097 -2.312,1098 10.185,1099 11.274,1100 7.032,1101 21.023,1102 10.1,1103 3.486,1104 -1.298,1105 18.385,1106 -2.856,1107 11.347,1108 12.46,1109 7.767,1110 23.63,1111 11.289,1112 2.726,1113 13.808,1114 20.381,1115 -3.379,1116 12.593,1117 13.832,1118 8.649,1119 26.259,1120 12.544,1121 2.192,1122 7.9,1123 22.387,1124 3.778,1125 13.804,1126 15.085,1127 9.44,1128 28.879,1129 13.774,1130 2.034,1131 5.874,1132 24.401,1133 3.601,1134 15.044,1135 16.425,1136 10.299,1137 31.505,1138 15.024,1139 1.593,1140 5.142,1141 26.419,1142 2.696,1143 16.276,1144 17.709,1145 11.117,1146 34.129,1147 16.267,1148 1.218,1149 4.075,1150 28.441,1151 2.439,1152 17.517,1153 19.035,1154 11.967,1155 36.754,1156 17.517,1157 0.76,1158 2.778,1159 30.465,1160 1.925,1161 18.757,1162 20.335,1163 12.8,1164 39.379,1165 18.765,1166 3523,1167 6382,1168 13.405,1169 25.12,1170 31.063,1171 31.503,1172 33.208,1173 30.911,1174 30.87,1175 36.689,1176 8.794,1177 88.709,1178 29.479,1179 5.513,1180 5.918,1181 7.176,1182 5.607,1183 5.486,1184 6.39,1185 3.925,1186 21.113,1187 5.449,1188 10.949,1189 1.479,1190 1.5,1191 1.581,1192 1.472,1193 1.47,1194 1.747,1195 0.419,1196 4.224,1197 1.404,1198 3.971,1199 4.011,1200 4.223,1201 3.87,1202 7.474,1203 3.856,1204 3.8,1205 3.841,1206 3.838,1207 3.748,1208 7.428,1209 3.68,1210 3.557,1211 3.589,1212 3.454,1213 3.359,1214 6.351,1215 3.367,1216 3.388,1217 3.462,1218 3.248,1219 3.184,1220 5.008,1221 3.176,1222 3.183,1223 3.228,1224 3.089,1225 2.962,1226 4.271,1227 2.968,1228 2.916,1229 2.979,1230 2.771,1231 2.671,1232 4.017,1233 2.635,1234 2.869,1235 2.962,1236 2.583,1237 2.575,1238 3.783,1239 2.617,1240 2.546,1241 2.655,1242 2.479,1243 2.26,1244 3.688,1245 2.256,1246 0.217,1247 0.191,1248 0.363,1249 0.214,1250 0.166,1251 4.553,1252 0.18,1253 4.018,1254 0.111,1255 7.614,1256 0.658,1257 4.489,1258 0.166,1259 3.486,1260 3.778,1261 2.341,1262 13.808,1263 3.493,1264 1.794,1265 1.759,1266 1.965,1267 1.947,1268 1.365,1269 1.951,1270 1.594,1271 1.548,1272 1.86,1273 1.757,1274 1.211,1275 1.797,1276 1.577,1277 1.507,1278 1.837,1279 1.751,1280 1.051,1281 1.793,1282 1.399,1283 1.365,1284 1.61,1285 1.667,1286 0.873,1287 1.636,1288 1.229,1289 1.183,1290 1.305,1291 1.48,1292 0.438,1293 1.464,1294 0.911,1295 0.835,1296 1.12,1297 1.191,1298 0.224,1299 1.185,1300 0.755,1301 0.702,1302 1.056,1303 1.126,1304 0.152,1305 1.11,1306 0.655,1307 0.635,1308 0.883,1309 0.941,1310 0.094,1311 0.934,1312 3.761,1314 5.069,1315 3.045,1316 6.555,1317 5.283,1318 8.129,1319 7.273,1320 9.755,1322 1.984,1327 8.843,1328 4.679,1329 2.816,1334 -0.545,1340 23.61,1341 67.805,1342 119.034,1343 156.157,1344 175.376,1345 175.376,1346 175.376,1347 52.226,1348 5.994,1349 92.18,1350 120.42,1351 10,1352 12.093,1353 3,1354 2.459,1355 36.298,1356 59,1357 66,1358 0.304,1359 152.477,1360 265.16,1361 363.804,1362 2266,1364 14.588,1365 0.729,1366 0.617,1367 14.941,1368 12.333,1369 9.554,1370 0.455,1371 0.368,1372 6.896,1373 8.711,1374 6.673,1375 5.522,1376 9.963,1377 7.729,1378 8.592,1379 0.296,1380 0.216,1381 9.287,1382 6.252,1383 6.778,1384 0.188,1385 0.134,1386 7.543,1387 4.833,1388 5.158,1389 0.12,1390 0.078,1391 5.886,1392 3.34,1393 3.534,1394 0.08,1395 0.044,1396 4.047,1397 1.94,1398 0.465,1399 64.458,1400 0.273,1401 19.846,1402 0.865,1403 100,1404 332.104,1405 139.485,1406 334.386,1407 436.82,1408 308,1409 115,1410 292.761,1411 146.522,1412 305.792,1413 442.42,1414 287,1415 5.523}
{0 CHEMBL212065,1 1.373,2 7.913,3 3.164,4 10.01,5 87.703,6 6.028,8 4.036,9 4.17,10 3.379,11 3.506,12 4.989,13 3.444,14 4.671,15 4.871,16 3.77,17 3.982,18 5.6,19 3.874,20 5.07,21 5.326,22 3.861,23 4.162,24 5.912,25 4.016,26 5.191,27 5.463,28 3.892,29 4.14,30 6.159,31 4.019,32 5.107,33 5.35,34 3.95,35 4.128,36 6.218,37 4.031,38 5.124,39 5.343,40 3.926,41 4.188,42 6.298,43 4.064,44 5.232,45 5.521,46 3.562,47 4.173,48 6.035,49 3.953,50 5.098,51 5.441,52 3.268,53 3.893,54 5.8,55 3.634,56 0.063,57 0.719,58 13.581,59 5.683,60 10.474,61 7.87,62 0.273,63 1.217,64 25.14,65 9.842,66 52.769,67 14.126,68 0.336,69 1.557,70 36.869,71 12.303,72 48.735,73 18.665,74 0.632,75 1.543,76 42.265,77 11.989,78 99.25,79 18.475,80 0.656,81 1.465,82 39.433,83 11.84,84 118.635,85 17.576,86 0.836,87 1.54,88 40.507,89 12.823,90 148.905,91 18.688,92 0.562,93 1.585,94 42.503,95 13.751,96 94.644,97 20.798,98 0.435,99 1.238,100 35.95,101 11.068,102 65.867,103 17.338,104 38,105 34,106 0.235,107 0.426,108 0.616,109 0.794,110 0.819,111 0.819,112 3.189,113 1.141,114 -3.48,115 -3.46,116 -3.3,121 33.3,122 1,123 11,124 1,125 1,127 1,132 1,160 2,170 1,174 1,176 13,177 1,180 2,183 2,185 4,187 14,188 2,192 5,196 1,197 9,200 7,201 2,206 7,211 7,214 8,215 3,219 6,220 1,222 1,224 5,225 1,227 13,228 2,231 1,232 3,235 2,236 1,237 6,239 16,244 1,249 4,251 10,252 2,256 2,261 3,262 1,264 4,265 2,269 2,272 1,273 1,274 3,277 4,281 767,282 15.25,283 15.25,284 15.25,285 15.25,286 15.25,287 14.951,288 15.723,289 8.842,290 15.299,291 11.628,292 11.628,293 11.628,294 11.628,295 11.628,296 11.109,297 26.076,298 3.86,299 11.716,300 4.382,301 3.271,302 2.164,303 1.125,304 0.977,305 0.977,306 3.839,310 1,311 1,312 1,313 366,314 4.472,317 151.167,325 1.316,326 36.812,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 50.5,338 182,339 4.594,340 4.045,341 7.64,342 4.533,343 3.536,344 3.697,345 2.341,346 13.96,347 3.527,348 4.3,349 3.714,350 7.192,351 4.277,352 3.297,353 3.305,354 1.907,355 12.593,356 3.224,357 3.833,358 3.417,359 5.902,360 3.651,361 2.648,362 2.987,363 0.149,364 8.059,365 2.642,366 3.012,367 2.689,368 4.882,369 2.749,370 1.734,371 2.015,373 4.607,374 1.749,375 2.654,376 2.025,377 3.962,378 2.446,379 1.443,380 1.607,382 3.14,383 1.433,384 2.42,385 1.506,386 3.813,387 2.403,388 1.408,389 1.418,391 2.944,392 1.397,393 2.279,394 1.369,395 3.618,396 2.203,397 1.196,398 1.251,400 2.593,401 1.198,402 1.845,403 1.11,404 3.618,405 1.742,406 0.739,407 0.781,409 1.464,410 0.734,411 1.618,412 1.015,413 3.61,414 1.618,415 0.618,416 0.618,418 1.464,419 0.618,420 1.618,421 0.618,422 3.439,423 1.618,424 0.618,425 0.618,427 1.372,428 0.618,429 1.442,430 0.618,431 3.036,432 1.279,433 0.404,434 0.411,436 0.558,437 0.349,438 0.846,439 0.438,440 2.868,441 0.676,442 -0.323,443 -0.324,445 -0.627,446 -0.322,447 0.682,448 0.37,449 2.469,450 0.578,451 -0.432,452 -0.491,454 -1.178,455 -0.431,456 0.472,457 -0.296,458 2.118,459 0.105,460 -0.924,461 -0.934,463 -2,464 -0.891,465 0.091,466 -0.626,467 1.572,468 -0.026,469 -1,470 -1.227,472 -2.097,473 -1.002,474 10.733,475 0.467,476 0.618,477 0.027,478 16.5,479 0.717,480 3,481 0.13,482 13.5,483 0.587,484 30.419,485 1.323,486 28.867,487 0.535,488 10.775,489 0.468,490 2.108,491 0.092,492 8.859,493 0.385,494 0.171,495 0.093,496 0.14,501 0.795,502 1.399,503 1.042,504 1.328,505 0.705,506 1.237,507 0.465,508 1.354,509 0.96,510 1.293,511 0.45,512 1.224,513 0.7,514 1.297,515 0.996,516 1.242,517 0.676,518 1.172,519 1.336,520 0.896,521 1.017,522 0.861,523 1.329,524 0.871,525 1.377,526 0.946,527 1.029,528 0.927,529 1.46,530 0.917,531 1.281,532 1.139,533 1.243,534 1.173,535 1.371,536 1.204,537 0.978,538 1.054,539 1.124,540 1.096,541 0.933,542 1.133,543 0.663,544 0.817,545 0.766,546 0.851,547 0.635,548 0.829,549 6.5,550 0.02,551 3.333,552 1.819,553 1.805,554 0.864,555 0.541,556 0.322,557 0.173,558 0.094,559 4506,560 10316,561 1.926,562 57.4,563 21,564 2,567 3,568 1,569 4,572 1.666,573 1.769,574 2.977,575 0.989,576 1,577 1,582 74.125,583 1.373,584 2.483,585 3.591,586 4.63,587 4.778,588 4.778,589 2.442,590 4.002,591 4.496,592 3.144,593 795.358,594 7.788,595 8986.96,597 1,599 1,600 310.764,601 1.634,602 4.413,603 0.271,604 0.007,605 0.098,606 0.054,607 0.052,608 0.023,609 0.015,610 0.015,611 0.011,612 0.008,613 0.552,614 0.33,615 1,616 1.649,617 105.55,618 -0.073,619 0.049,620 -0.001,621 0.072,622 -0.039,623 0.051,624 0.152,625 -0.084,626 0.017,627 -0.044,628 0.126,629 -0.043,630 0.027,631 -0.191,632 -0.033,633 -0.177,634 0.004,635 -0.123,636 -0.137,637 0.081,638 0.012,639 0.064,640 -0.132,641 0.068,642 -0.075,643 0.066,644 0.025,645 0.065,646 -0.051,647 0.065,648 0.014,649 -0.07,650 -0.182,651 -0.116,652 0.026,653 -0.178,654 -0.104,655 -0.106,656 -0.176,657 -0.125,658 -0.085,659 -0.159,660 0.039,661 0.003,662 0.121,663 0.012,664 0.018,665 0.075,666 2.455,667 6.035,668 0.435,669 16.159,670 0.994,671 1.14,672 2.25,673 5.063,674 0.597,675 3.219,676 3.555,677 3.807,678 3.989,679 4.043,680 4.025,681 3.932,682 3.892,683 3.555,684 3.091,685 5.111,686 0.552,687 325.5,688 3.219,689 4.762,690 5.609,691 6.506,692 7.383,693 8.284,694 9.173,695 10.075,696 10.968,697 11.871,698 1.9,705 1,741 54,743 2,745 24,747 55,748 18,756 2,757 2,763 2,764 1,766 1,767 8,768 1,770 11,772 2,773 16,774 2,777 2,782 2,786 2,789 1,790 1,793 31,794 5,795 3,796 5,802 1,808 1,809 4,810 1,828 2,843 1,845 1,857 2,859 2,864 1,868 23,875 2,876 12,877 1,880 1,882 2,893 7.4,894 1,895 1,896 2,901 13,902 9.317,903 5.319,904 3.838,907 0.125,908 1.02,909 0.846,910 6.355,911 6.25,912 3.296,913 3.664,914 3.932,915 4.127,916 4.22,917 4.22,918 4.043,919 3.989,920 3.638,921 3.178,922 1,923 34,924 8.726,926 3.824,927 0.026,929 7.92,931 16.914,933 14.694,936 2.42,937 55.667,940 1,941 329.591,942 42.32,943 18.011,945 135.657,948 42.32,949 465.247,950 18.011,951 8.825,952 45.891,953 42.683,954 98.588,957 329.591,959 329.591,960 60.33,961 135.657,964 282.506,965 140.058,966 42.683,968 54.716,969 5.615,972 329.591,973 153.667,974 42.32,977 329.591,978 33.494,979 8.825,980 18.011,981 135.657,982 329.591,983 153.667,984 42.32,986 0.575,987 0.353,988 0.183,989 0.089,990 15,991 7,992 0.145,993 8,995 1,996 3.284,997 179.174,999 10,1000 96.042,1005 18.571,1006 7.871,1007 4.203,1009 153.667,1017 103.377,1018 525.578,1019 26,1024 24.569,1028 -0.808,1031 53.665,1032 61.564,1034 0.239,1035 0.432,1036 0.624,1037 0.804,1038 0.83,1039 0.83,1040 4.595,1041 0.739,1042 5.673,1043 2.593,1044 4.234,1045 4.344,1046 2.748,1047 6.613,1048 4.218,1049 5.771,1050 0.618,1051 7.335,1052 1.464,1053 4.205,1054 4.369,1055 2.591,1056 8.257,1057 4.181,1058 7.116,1059 0.618,1060 9.128,1061 1.464,1062 6.052,1063 6.24,1064 4.005,1065 11.259,1066 6.016,1067 8.5,1068 0.404,1069 11.001,1070 1.372,1071 6.868,1072 7.091,1073 4.392,1074 13.621,1075 6.823,1076 9.924,1077 -0.323,1078 12.924,1079 0.558,1080 8.266,1081 8.515,1082 5.469,1083 16.307,1084 8.211,1085 11.37,1086 -0.432,1087 14.877,1088 -0.627,1089 9.364,1090 9.644,1091 6.092,1092 18.847,1093 9.301,1094 12.83,1095 -0.924,1096 16.85,1097 -1.178,1098 10.641,1099 10.95,1100 7.032,1101 21.471,1102 10.569,1103 3.536,1104 -1,1105 18.834,1106 -2,1107 11.831,1108 12.172,1109 7.767,1110 24.06,1111 11.753,1112 3.297,1113 13.96,1114 20.827,1115 -2.097,1116 13.077,1117 13.451,1118 8.649,1119 26.673,1120 12.992,1121 2.648,1122 12.593,1123 22.826,1124 3.697,1125 14.299,1126 14.707,1127 9.44,1128 29.278,1129 14.208,1130 1.734,1131 8.059,1132 24.829,1133 3.305,1134 15.539,1135 15.983,1136 10.299,1137 31.891,1138 15.443,1139 1.443,1140 4.607,1141 26.836,1142 2.987,1143 16.773,1144 17.255,1145 11.117,1146 34.504,1147 16.673,1148 1.408,1149 3.14,1150 28.844,1151 2.015,1152 18.014,1153 18.536,1154 11.967,1155 37.12,1156 17.91,1157 1.196,1158 2.944,1159 30.856,1160 1.607,1161 19.255,1162 19.817,1163 12.8,1164 39.736,1165 19.148,1166 4712,1167 7176,1168 15.079,1169 32.245,1170 35.401,1171 36.465,1172 39.162,1173 35.224,1174 35.281,1175 37.418,1176 8.794,1177 105.506,1178 34.979,1179 5.594,1180 5.999,1181 7.402,1182 5.575,1183 5.536,1184 5.697,1185 3.925,1186 21.582,1187 5.497,1188 13.142,1189 1.475,1190 1.519,1191 1.632,1192 1.468,1193 1.47,1194 1.559,1195 0.366,1196 4.396,1197 1.457,1198 4.004,1199 4.048,1200 3.909,1201 3.891,1202 7.474,1203 3.888,1204 3.869,1205 3.92,1206 3.746,1207 3.762,1208 7.428,1209 3.75,1210 3.705,1211 3.757,1212 3.577,1213 3.569,1214 6.456,1215 3.559,1216 3.395,1217 3.455,1218 3.225,1219 3.202,1220 6.351,1221 3.194,1222 3.326,1223 3.381,1224 3.202,1225 3.08,1226 4.35,1227 3.099,1228 3.176,1229 3.214,1230 3.011,1231 2.914,1232 4.24,1233 2.93,1234 2.937,1235 2.979,1236 2.773,1237 2.671,1238 4.112,1239 2.635,1240 2.869,1241 2.979,1242 2.583,1243 2.671,1244 3.725,1245 2.635,1246 0.191,1247 0.169,1248 0.318,1249 0.189,1250 0.147,1251 4.594,1252 0.154,1253 4.045,1254 0.098,1255 7.64,1256 0.582,1257 4.533,1258 0.147,1259 3.536,1260 3.697,1261 2.341,1262 13.96,1263 3.527,1264 1.849,1265 1.813,1266 2.031,1267 1.999,1268 1.426,1269 2.007,1270 1.697,1271 1.648,1272 1.902,1273 1.884,1274 1.263,1275 1.892,1276 1.581,1277 1.525,1278 1.86,1279 1.751,1280 1.211,1281 1.793,1282 1.577,1283 1.507,1284 1.86,1285 1.751,1286 1.211,1287 1.793,1288 1.577,1289 1.507,1290 1.827,1291 1.747,1292 1.174,1293 1.777,1294 1.297,1295 1.247,1296 1.572,1297 1.557,1298 0.807,1299 1.55,1300 0.92,1301 0.84,1302 1.314,1303 1.29,1304 0.478,1305 1.29,1306 0.866,1307 0.809,1308 1.21,1309 1.209,1310 0.412,1311 1.192,1312 3.892,1314 5.22,1315 3.045,1316 6.749,1317 5.283,1318 8.369,1319 7.286,1320 10.039,1322 1.983,1327 19.208,1328 9.062,1329 3.129,1332 -0.447,1334 -1.029,1340 29.783,1341 74.125,1342 134.104,1343 193.902,1344 250.009,1345 258.009,1346 258.009,1347 84.504,1348 6.125,1349 86.63,1350 86.63,1351 10,1352 12.393,1353 1.585,1354 1.585,1355 44.824,1356 67,1357 73,1358 0.324,1359 185.57,1360 336.12,1361 444.551,1362 2452,1364 16.924,1365 0.736,1366 0.621,1367 16.924,1368 14.274,1369 10.968,1370 0.457,1371 0.38,1372 9.05,1373 10.625,1374 8.836,1375 7.331,1376 10.968,1377 9.132,1378 9.732,1379 0.286,1380 0.224,1381 9.732,1382 7.615,1383 8.069,1384 0.183,1385 0.134,1386 8.069,1387 5.908,1388 6.234,1389 0.118,1390 0.084,1391 6.234,1392 4.456,1393 4.316,1394 0.077,1395 0.046,1396 4.316,1397 2.574,1398 0.487,1399 68.627,1400 0.258,1401 22.04,1402 0.958,1403 116,1404 302.103,1405 126.469,1406 283.129,1407 362.68,1408 260,1409 136,1410 242.072,1411 145.862,1412 243.43,1413 355.55,1414 228,1415 5.523}
{0 CHEMBL212105,1 1.4,2 10.222,3 3.272,4 10.707,5 103.978,6 6.041,8 4.182,9 4.322,10 3.533,11 3.645,12 5.13,13 3.583,14 4.819,15 5.035,16 3.904,17 4.107,18 5.735,19 3.999,20 5.192,21 5.441,22 4.024,23 4.312,24 6.063,25 4.174,26 5.339,27 5.607,28 4.038,29 4.308,30 6.308,31 4.185,32 5.257,33 5.503,34 4.08,35 4.315,36 6.269,37 4.199,38 5.349,39 5.605,40 4.036,41 4.345,42 6.437,43 4.199,44 5.325,45 5.62,46 3.766,47 4.292,48 6.189,49 4.085,50 5.206,51 5.526,52 3.659,53 4.135,54 5.935,55 3.924,56 0.055,57 0.856,58 15.694,59 6.347,60 9.575,61 9.046,62 0.373,63 1.408,64 29.202,65 10.871,66 52.638,67 15.941,68 0.311,69 1.789,70 41.681,71 14.255,72 52.037,73 21.436,74 0.759,75 1.833,76 49.199,77 13.892,78 122.221,79 21.547,80 0.625,81 1.798,82 45.536,83 14.139,84 94.536,85 21.196,86 0.958,87 1.857,88 49.711,89 15.237,90 162.821,91 22.905,92 0.731,93 1.787,94 46.776,95 15.07,96 121.881,97 23.016,98 0.383,99 1.533,100 40.463,101 13.341,102 60.716,103 20.537,104 65,105 39,106 0.231,107 0.405,108 0.637,109 0.813,110 0.838,111 0.838,112 3.34,113 1.129,114 -3.7,115 -3.67,116 -3.49,121 33.3,122 1,123 11,124 2,125 1,126 2,129 1,160 3,170 1,174 1,176 14,177 1,179 1,180 4,183 2,185 4,187 15,188 2,192 9,197 7,200 9,201 2,206 9,211 6,214 8,215 3,219 8,220 1,222 2,224 4,225 1,227 13,228 2,231 1,232 4,235 2,236 1,237 3,239 17,243 2,244 3,249 1,251 13,252 2,256 8,261 2,264 7,265 2,269 8,274 2,277 5,278 1,281 1149,282 17.551,283 17.551,284 17.551,285 17.551,286 17.551,287 17.147,288 21.561,289 10.309,290 17.68,291 13.69,292 13.69,293 13.69,294 13.69,295 13.69,296 12.905,297 30.44,298 4.684,299 13.836,300 4.577,301 3.52,302 2.113,303 1.044,304 0.893,305 0.893,306 3.995,311 1,312 1,313 554,314 4.796,317 87.045,318 106.309,325 1.506,326 40.806,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 59,338 276,339 4.564,340 4.026,341 7.627,342 4.506,343 3.502,344 3.67,345 2.341,346 13.9,347 3.511,348 4.078,349 3.797,350 6.3,351 3.928,352 2.936,353 3.237,354 1.94,355 9.299,356 2.909,357 3.84,358 3.711,359 5.904,360 3.657,361 2.655,362 2.996,363 1.907,364 8.073,365 2.647,366 3.493,367 2.794,368 5.444,369 3.402,370 2.434,371 2.514,372 0.555,373 7.114,374 2.351,375 3.021,376 2.535,377 4.881,378 2.84,379 1.868,380 2.024,381 0.149,382 5.038,383 1.811,384 2.708,385 2.049,386 4.618,387 2.594,388 1.594,389 1.692,391 4.11,392 1.583,393 2.654,394 2.023,395 3.962,396 2.44,397 1.434,398 1.607,400 3.133,401 1.426,402 2.294,403 1.819,404 3.618,405 2.244,406 1.248,407 1.274,409 2.691,410 1.24,411 2.225,412 1.369,413 3.592,414 2.141,415 1.13,416 1.183,418 2.527,419 1.138,420 2,421 1.206,422 3.511,423 1.739,424 0.733,425 0.778,427 1.464,428 0.73,429 1.844,430 1.016,431 3.19,432 1.657,433 0.618,434 0.753,436 1.399,437 0.629,438 1.618,439 0.618,440 3.11,441 1.618,442 0.611,443 0.618,445 1.359,446 0.618,447 1,448 0.475,449 2.84,450 0.788,451 -0.212,452 -0.232,454 -0.528,455 -0.21,456 0.682,457 0.416,458 2.468,459 0.671,460 -0.331,461 -0.334,463 -0.654,464 -0.331,465 0.472,466 -0.156,467 2.035,468 0.266,469 -0.765,470 -0.823,472 -1.911,473 -0.782,474 12.633,475 0.468,476 0.799,477 0.03,478 20.75,479 0.769,480 4.5,481 0.167,482 16.25,483 0.602,484 36.14,485 1.339,486 33.567,487 0.533,488 15.357,489 0.569,490 2.997,491 0.111,492 9.79,493 0.363,494 0.224,495 0.04,496 0.269,501 0.703,502 1.565,503 1.019,504 1.403,505 0.594,506 1.277,507 0.467,508 1.2,509 0.949,510 1.182,511 0.395,512 1.139,513 0.781,514 1.315,515 1.001,516 1.271,517 0.771,518 1.182,519 1.486,520 0.921,521 1.086,522 0.864,523 1.518,524 0.9,525 1.256,526 1.052,527 1.09,528 1.064,529 1.293,530 1.05,531 1.194,532 1.029,533 1.111,534 1.043,535 1.223,536 1.067,537 0.852,538 0.939,539 1.031,540 0.99,541 0.814,542 1.033,543 0.59,544 0.939,545 0.766,546 0.95,547 0.594,548 0.896,549 7,550 0.201,551 3.778,552 2.125,553 1.827,554 0.996,555 0.705,556 0.452,557 0.279,558 0.23,559 7415,560 17090,561 1.905,562 57.1,563 21,564 7,567 2,568 2,569 4,572 1.705,573 1.733,574 3.335,575 0.231,577 1,582 88.213,583 1.4,584 2.457,585 3.864,586 4.933,587 5.084,588 5.084,589 2.742,590 4.31,591 4.727,592 3.49,593 1224.92,594 8.23,595 15727.5,597 1,600 376.569,601 1.706,602 4.642,603 0.25,604 0.011,605 0.097,606 0.052,607 0.045,608 0.023,609 0.018,610 0.016,611 0.01,612 0.01,613 0.531,614 0.33,615 1,616 1.664,617 133.193,618 -0.035,619 -0.107,620 0.019,621 -0.017,622 -0.014,623 0.004,624 0.179,625 0.059,626 0.039,627 0.014,628 0.144,629 0.006,630 -0.006,631 -0.21,632 -0.028,633 -0.175,634 -0.008,635 -0.113,636 -0.184,637 0.06,638 -0.041,639 0.074,640 -0.171,641 0.045,642 -0.081,643 0.007,644 -0.052,645 -0.041,646 -0.085,647 -0.041,648 0.03,649 -0.037,650 -0.083,651 -0.049,652 0.041,653 -0.082,654 0.002,655 0.014,656 -0.08,657 -0.023,658 0.019,659 -0.06,660 0.061,661 -0.041,662 0.135,663 -0.001,664 0.041,665 0.071,666 2.453,667 6.209,668 0.407,669 23.35,670 0.993,671 1.141,672 2.47,673 6.102,674 0.6,675 3.367,676 3.689,677 3.912,678 4.078,679 4.205,680 4.205,681 4.19,682 4.205,683 4.094,684 4.078,685 6.207,686 0.553,687 380.59,688 3.367,689 4.905,690 5.74,691 6.616,692 7.479,693 8.361,694 9.234,695 10.118,696 10.996,697 11.881,698 3.2,705 2,741 63,743 3,745 28,747 64,748 21,756 2,757 2,763 1,764 1,766 1,767 9,768 1,770 12,772 3,773 18,774 2,777 3,782 3,786 3,790 1,793 36,794 6,795 2,796 6,802 2,808 1,809 4,828 1,829 1,843 1,844 1,845 1,857 1,859 2,864 3,868 27,875 1,876 11,877 1,880 3,881 1,882 1,893 6.3,895 1,896 3,901 15.583,902 11.65,903 6.125,904 4.375,907 0.178,908 1.027,909 0.869,910 8.147,911 6.753,912 3.466,913 3.829,914 4.094,915 4.22,916 4.382,917 4.419,918 4.382,919 4.382,920 4.248,921 4.263,922 0.857,923 41,924 10.226,926 4.4,927 0.026,929 7.88,931 19.801,933 16.825,936 2.38,937 64.25,940 1,941 400.217,942 63.817,943 21.135,945 118.118,948 63.817,949 518.336,950 21.135,951 25.618,952 49.015,954 128.437,957 400.217,959 400.217,960 84.952,961 118.118,964 353.133,965 165.203,968 57.84,969 27.112,972 400.217,973 139.253,974 63.817,977 400.217,978 38.199,979 28.742,980 18.011,981 118.118,982 400.217,983 139.253,984 63.817,986 0.58,987 0.341,988 0.17,989 0.09,990 16,991 9,992 0.125,993 8,995 1,996 3.638,997 219.496,999 11,1000 122.382,1005 22.201,1006 9.908,1007 5.696,1009 139.253,1017 60.694,1018 603.288,1019 31,1024 37.138,1028 -0.631,1031 62.534,1032 71.893,1034 0.234,1035 0.411,1036 0.646,1037 0.825,1038 0.851,1039 0.851,1040 4.754,1041 1.248,1042 5.771,1043 3.133,1044 4.369,1045 4.511,1046 3.104,1047 6.64,1048 4.353,1049 5.908,1050 1.13,1051 7.387,1052 2.691,1053 4.205,1054 4.443,1055 2.87,1056 8.001,1057 4.182,1058 7.212,1059 0.733,1060 9.124,1061 2.527,1062 6.066,1063 6.34,1064 4.295,1065 11.047,1066 6.04,1067 8.551,1068 0.618,1069 10.939,1070 1.464,1071 6.735,1072 7.099,1073 4.632,1074 13.276,1075 6.714,1076 9.931,1077 0.611,1078 12.805,1079 1.399,1080 8.139,1081 8.537,1082 5.699,1083 15.978,1084 8.117,1085 11.336,1086 -0.212,1087 14.71,1088 1.359,1089 9.142,1090 9.611,1091 6.282,1092 18.487,1093 9.128,1094 12.76,1095 -0.331,1096 16.642,1097 -0.528,1098 10.409,1099 10.915,1100 7.207,1101 21.124,1102 10.396,1103 3.502,1104 -0.765,1105 18.595,1106 -0.654,1107 11.547,1108 12.107,1109 7.912,1110 23.717,1111 11.542,1112 2.936,1113 13.9,1114 20.565,1115 -1.911,1116 12.779,1117 13.377,1118 8.779,1119 26.345,1120 12.777,1121 2.655,1122 9.299,1123 22.548,1124 3.67,1125 13.973,1126 14.616,1127 9.548,1128 28.964,1129 13.977,1130 2.434,1131 8.073,1132 24.54,1133 3.237,1134 15.202,1135 15.883,1136 10.392,1137 31.593,1138 15.21,1139 1.868,1140 7.114,1141 26.541,1142 2.996,1143 16.422,1144 17.144,1145 11.195,1146 34.221,1147 16.435,1148 1.594,1149 5.038,1150 28.548,1151 2.514,1152 17.656,1153 18.415,1154 12.034,1155 36.851,1156 17.673,1157 1.434,1158 4.11,1159 30.559,1160 2.024,1161 18.888,1162 19.687,1163 12.856,1164 39.481,1165 18.91,1166 7704,1167 11758,1168 17.394,1169 37.773,1170 42.105,1171 43.642,1172 44.766,1173 41.62,1174 41.528,1175 44.695,1176 13.786,1177 120.213,1178 41.188,1179 5.564,1180 6.026,1181 7.39,1182 5.53,1183 5.502,1184 5.67,1185 3.925,1186 21.296,1187 5.511,1188 17.777,1189 1.504,1190 1.559,1191 1.599,1192 1.486,1193 1.483,1194 1.596,1195 0.492,1196 4.293,1197 1.471,1198 4.002,1199 4.046,1200 3.905,1201 3.888,1202 7.474,1203 3.884,1204 3.882,1205 3.93,1206 3.773,1207 3.768,1208 7.429,1209 3.76,1210 3.707,1211 3.759,1212 3.583,1213 3.569,1214 7.425,1215 3.56,1216 3.585,1217 3.662,1218 3.462,1219 3.341,1220 6.351,1221 3.361,1222 3.396,1223 3.457,1224 3.227,1225 3.202,1226 4.355,1227 3.193,1228 3.334,1229 3.391,1230 3.207,1231 3.088,1232 4.247,1233 3.107,1234 3.143,1235 3.222,1236 2.942,1237 2.958,1238 4.181,1239 2.938,1240 3.067,1241 3.121,1242 2.882,1243 2.861,1244 4.111,1245 2.86,1246 0.163,1247 0.144,1248 0.272,1249 0.161,1250 0.125,1251 4.564,1252 0.131,1253 4.026,1254 0.084,1255 7.627,1256 0.496,1257 4.506,1258 0.125,1259 3.502,1260 3.67,1261 2.341,1262 13.9,1263 3.511,1264 1.905,1265 1.859,1266 2.094,1267 2.062,1268 1.489,1269 2.073,1270 1.828,1271 1.788,1272 2.024,1273 1.973,1274 1.42,1275 1.989,1276 1.616,1277 1.562,1278 1.86,1279 1.815,1280 1.211,1281 1.823,1282 1.577,1283 1.507,1284 1.858,1285 1.763,1286 1.181,1287 1.793,1288 1.512,1289 1.435,1290 1.784,1291 1.751,1292 0.9,1293 1.782,1294 1.308,1295 1.255,1296 1.579,1297 1.571,1298 0.821,1299 1.565,1300 1.196,1301 1.117,1302 1.503,1303 1.447,1304 0.803,1305 1.464,1306 1.157,1307 1.076,1308 1.476,1309 1.382,1310 0.75,1311 1.419,1312 4.043,1314 5.361,1315 2.398,1316 6.87,1317 4.595,1318 8.467,1319 6.605,1320 10.113,1322 5.539,1327 9.556,1328 8.802,1329 3.209,1332 -0.453,1333 1.634,1334 -0.545,1340 34.858,1341 88.213,1342 154.786,1343 243.442,1344 310.794,1345 320.304,1346 320.304,1347 109.445,1348 6.575,1349 86.71,1350 86.71,1351 11,1352 12.415,1353 2,1354 2,1355 58.143,1356 99,1357 94,1358 0.288,1359 218.214,1360 396.38,1361 524.203,1362 4923,1364 20.027,1365 0.742,1366 0.634,1367 20.027,1368 17.129,1369 12.787,1370 0.457,1371 0.376,1372 10.425,1373 12.34,1374 10.095,1375 8.438,1376 12.787,1377 10.537,1378 11.599,1379 0.297,1380 0.225,1381 11.599,1382 8.782,1383 9.221,1384 0.188,1385 0.132,1386 9.221,1387 6.465,1388 6.86,1389 0.118,1390 0.085,1391 6.86,1392 4.957,1393 5.132,1394 0.078,1395 0.05,1396 5.132,1397 3.292,1398 0.446,1399 80.181,1400 0.24,1401 25.666,1402 0.808,1403 134,1404 361.334,1405 146.659,1406 340.354,1407 436.12,1408 312,1409 155,1410 294.024,1411 167.303,1412 296.918,1413 427.93,1414 276,1415 5.523}
{0 CHEMBL212111,1 1.468,2 13.486,3 5.269,4 27.76,5 137.218,6 7.024,7 0.308,8 4.299,9 4.425,10 3.82,11 3.864,12 5.311,13 3.824,14 4.903,15 5.094,16 4.198,17 4.292,18 5.876,19 4.229,20 5.233,21 5.463,22 4.309,23 4.487,24 6.198,25 4.395,26 5.322,27 5.565,28 4.247,29 4.523,30 6.243,31 4.397,32 5.35,33 5.605,34 4.215,35 4.545,36 6.2,37 4.404,38 5.354,39 5.612,40 4.196,41 4.537,42 6.206,43 4.382,44 5.357,45 5.64,46 4.121,47 4.411,48 6.234,49 4.259,50 5.215,51 5.507,52 3.954,53 4.17,54 6.24,55 4.047,56 0.013,57 1.109,58 14.755,59 6.842,60 6.367,61 9.062,62 0.161,63 1.88,64 29.171,65 11.42,66 26.306,67 15.768,68 0.408,69 2.439,70 42.828,71 15.72,72 61.566,73 21.628,74 0.467,75 2.448,76 47.273,77 17.597,78 76.724,79 24.562,80 0.518,81 2.393,82 48.695,83 18.218,84 77.32,85 25.921,86 0.467,87 2.549,88 48.839,89 18.804,90 61.475,91 26.733,92 0.397,93 2.518,94 50.568,95 17.997,96 73.599,97 25.58,98 0.759,99 2.409,100 46.619,101 14.895,102 114,103 19.604,104 17,105 55,106 0.232,107 0.518,108 0.692,109 0.768,110 0.787,111 0.787,112 3.588,113 0.983,114 -5.52,115 -5.4,116 -5.04,121 42.6,122 1,123 5,124 1,127 5,129 1,138 1,140 1,144 8,145 2,146 2,158 2,176 13,180 9,187 15,191 1,192 10,200 13,205 1,206 8,214 13,218 2,219 6,227 13,232 6,239 6,244 6,251 2,255 2,256 3,264 6,269 1,277 8,281 2158,282 23.792,283 23.792,284 23.792,285 23.792,286 23.792,287 21.677,288 29.213,289 13.911,290 24.175,291 19.22,292 19.22,293 19.22,294 19.22,295 19.22,296 16.034,297 33.447,298 6.6,299 19.873,300 4.619,301 2.801,302 1.698,303 1.217,304 1.099,305 1.099,306 4.296,312 1,313 1039,314 3.24,318 587.29,322 185.56,325 1.931,326 39.776,329 0.75,330 0.83,331 1,332 1,333 0.5,334 1,335 1,336 0.87,337 75.5,338 472,339 4.494,340 3.903,341 6.783,342 4.188,343 3.187,344 3.928,345 1.774,346 11.165,347 3.191,348 4.341,349 3.557,350 6.746,351 4.116,352 3.147,353 3.829,354 1.277,355 10.914,356 3.055,357 3.929,358 3.068,359 5.928,360 3.529,361 2.579,362 3.535,363 1.213,364 8.134,365 2.479,366 3.77,367 2.912,368 5.436,369 3.467,370 2.501,371 3.024,372 0.8,373 7.147,374 2.412,375 3.721,376 2.905,377 5.348,378 3.426,379 2.454,380 2.952,381 0.531,382 6.791,383 2.35,384 3.499,385 2.84,386 5.181,387 3.242,388 2.31,389 2.557,390 0.494,391 6.341,392 2.137,393 3.405,394 2.737,395 5.167,396 3.02,397 2.03,398 2.532,400 6.005,401 1.998,402 3.239,403 2.278,404 4.93,405 2.839,406 1.91,407 2.509,409 5.627,410 1.765,411 3.04,412 2.172,413 4.845,414 2.815,415 1.857,416 2.082,418 5.382,419 1.759,420 2.542,421 1.749,422 3.941,423 2.435,424 1.44,425 1.509,427 3.109,428 1.431,429 2.5,430 1.525,431 3.722,432 2.146,433 1.16,434 1.5,436 2.944,437 1.142,438 2.5,439 1.459,440 3.64,441 2,442 1,443 1.5,445 2.275,446 1,447 2.196,448 1.146,449 3.453,450 2,451 1,452 1.181,454 2.275,455 1,456 2.072,457 1.022,458 3.414,459 1.967,460 1,461 1,463 2.275,464 0.965,465 2,466 1,467 3.414,468 1.908,469 0.894,470 0.976,472 2.167,473 0.9,474 16.605,475 0.474,476 0.853,477 0.024,478 38.75,479 1.107,480 16.5,481 0.471,482 22.25,483 0.636,484 37.95,485 1.084,486 38.595,487 0.568,488 30.584,489 0.874,490 7.373,491 0.211,492 9.618,493 0.275,494 0.085,496 0.349,499 2,501 0.55,502 1.138,503 0.793,504 1.126,505 0.483,506 1.03,507 0.722,508 1.038,509 0.899,510 1.03,511 0.498,512 0.992,513 0.942,514 0.962,515 1.017,516 1,517 0.81,518 1.008,519 0.819,520 0.901,521 1.036,522 1.055,523 0.806,524 1.078,525 0.64,526 0.732,527 0.969,528 0.955,529 0.676,530 1.012,531 0.548,532 0.895,533 0.975,534 1.11,535 0.57,536 1.123,537 0.768,538 1.019,539 0.906,540 1.04,541 0.729,542 1.008,543 1.656,544 1.144,545 1.113,546 0.854,547 1.643,548 0.874,549 6.5,550 0.268,551 4.444,552 2.688,553 2.204,554 0.951,555 1.028,556 0.707,557 0.238,558 0.251,559 19639,560 48224,561 2.123,562 48.5,563 6,564 19,568 3,569 5,572 1.766,573 2,574 3.66,575 -0.822,582 99.846,583 1.468,584 3.287,585 4.389,586 4.87,587 4.988,588 4.988,589 3.021,590 4.283,591 5.103,592 3.886,593 2312.3,594 8.951,595 36914.6,600 413.947,601 1.366,602 5.067,603 0.167,604 0.009,605 0.081,606 0.046,607 0.041,608 0.018,609 0.021,610 0.016,611 0.007,612 0.008,613 0.412,614 0.33,615 0.63,616 0.504,617 190.54,618 0.003,619 -0.103,620 0.058,621 -0.026,622 0.004,623 0.014,624 -0.04,625 -0.062,626 0.009,627 -0.019,628 0.045,629 0.003,630 -0.074,631 0.01,632 -0.062,633 -0.019,634 -0.014,635 -0.03,636 -0.043,637 -0.042,638 -0.091,639 -0.075,640 -0.028,641 -0.088,642 -0.017,643 0.014,644 -0.043,645 0.013,646 -0.053,647 -0.017,648 0.066,649 -0.061,650 -0.049,651 -0.12,652 -0.003,653 -0.113,654 0.018,655 -0.183,656 0.065,657 -0.089,658 0.024,659 -0.023,660 -0.122,661 0.036,662 -0.016,663 0.084,664 -0.112,665 0.06,666 1.928,667 6.127,668 0.8,669 38.333,670 0.997,671 1.133,672 4.295,673 18.444,674 0.655,675 3.689,676 4.025,677 4.317,678 4.585,679 4.852,680 4.905,681 5.037,682 5.124,683 5.17,684 5.247,685 8.058,686 0.617,687 477.65,688 3.689,689 5.242,690 6.103,691 6.986,692 7.862,693 8.75,694 9.633,695 10.523,696 11.409,697 12.3,698 4.4,701 2,707 1,715 8,720 4,722 12,740 2,741 68,743 15,744 2,745 39,747 72,748 29,749 12,750 4,751 8,752 4,756 5,757 6,763 1,767 4,768 1,770 6,772 16,773 13,774 1,777 3,782 1,785 1,786 4,791 2,793 33,794 6,796 6,802 3,808 0.8,809 1,829 5,833 1,839 1,841 1,849 1,850 1,855 2,859 4,864 1,866 2,868 35,876 10,880 2,881 2,892 2,893 1.5,896 1,901 17.5,902 12.386,903 7.611,904 4.516,907 1.971,908 1.241,909 0.992,910 7.226,911 10.141,912 3.892,913 4.431,914 4.931,915 5.411,916 5.895,917 6.014,918 6.266,919 6.538,920 6.707,921 6.924,922 0.889,923 59,924 13.123,926 5.75,927 0.026,929 7.757,931 25.534,933 22.019,936 2.257,937 79,941 388.446,942 146.282,943 23.034,945 25.145,946 29.92,948 146.282,949 413.591,950 52.954,951 8.825,952 23.201,953 75.81,954 35.792,955 50.833,956 29.92,957 388.446,959 388.446,960 169.316,961 55.065,964 359.511,965 84,968 55.061,969 111.499,970 2.757,972 418.367,973 48.179,974 146.282,977 388.446,978 61.647,979 90.884,981 71.851,982 388.446,983 78.099,984 146.282,986 0.586,987 0.346,988 0.188,989 0.108,990 27,991 12,992 0.083,993 6,994 1,995 1.071,996 4.572,997 337.278,998 0.071,999 28,1000 153.525,1005 24.038,1006 10.521,1007 5.295,1009 78.099,1010 13.219,1015 1.48,1018 612.828,1019 48,1024 13.127,1027 4.81,1028 3.232,1031 67.796,1032 77.027,1034 0.241,1035 0.54,1036 0.721,1037 0.8,1038 0.819,1039 0.819,1040 5.159,1041 1.91,1042 6.089,1043 6.005,1044 4.71,1045 5.118,1046 2.622,1047 6.909,1048 4.65,1049 6.339,1050 1.857,1051 7.654,1052 5.627,1053 4.29,1054 4.844,1055 1.682,1056 7.84,1057 4.183,1058 7.638,1059 1.44,1060 9.319,1061 5.382,1062 6.312,1063 7.183,1064 3.163,1065 10.956,1066 6.204,1067 8.966,1068 1.16,1069 11.046,1070 3.109,1071 6.711,1072 7.691,1073 2.698,1074 12.745,1075 6.577,1076 10.327,1077 1,1078 12.813,1079 2.944,1080 8.198,1081 9.525,1082 3.996,1083 15.394,1084 8.06,1085 11.709,1086 1,1087 14.609,1088 2.275,1089 8.983,1090 10.4,1091 3.799,1092 17.543,1093 8.836,1094 13.108,1095 1,1096 16.427,1097 2.275,1098 10.257,1099 12.014,1100 4.958,1101 20.036,1102 10.103,1103 3.187,1104 0.894,1105 18.263,1106 2.275,1107 11.233,1108 13.087,1109 4.958,1110 22.334,1111 11.075,1112 3.147,1113 11.165,1114 20.112,1115 2.167,1116 12.422,1117 14.587,1118 5.988,1119 24.77,1120 12.258,1121 2.579,1122 10.914,1123 21.972,1124 3.928,1125 13.489,1126 15.773,1127 6.136,1128 27.13,1129 13.322,1130 2.501,1131 8.134,1132 23.842,1133 3.829,1134 14.647,1135 17.21,1136 7.058,1137 29.545,1138 14.475,1139 2.454,1140 7.147,1141 25.719,1142 3.535,1143 15.758,1144 18.462,1145 7.317,1146 31.93,1147 15.582,1148 2.31,1149 6.791,1150 27.602,1151 3.024,1152 16.907,1153 19.864,1154 8.153,1155 34.338,1156 16.726,1157 2.03,1158 6.341,1159 29.49,1160 2.952,1161 18.038,1162 21.156,1163 8.493,1164 36.733,1165 17.854,1166 18232,1167 28757,1168 26.353,1169 44.529,1170 59.053,1171 59.93,1172 60.701,1173 58.535,1174 58.3,1175 70.797,1176 12.176,1177 168.737,1178 56.48,1179 5.494,1180 5.903,1181 6.465,1182 5.255,1183 5.187,1184 6.928,1185 3.301,1186 18.675,1187 5.191,1188 16.267,1189 1.514,1190 1.537,1191 1.556,1192 1.501,1193 1.495,1194 1.815,1195 0.312,1196 4.327,1197 1.448,1198 4.046,1199 4.086,1200 3.983,1201 3.956,1202 8.203,1203 3.957,1204 3.974,1205 4.007,1206 3.916,1207 3.88,1208 8.2,1209 3.884,1210 3.824,1211 3.856,1212 3.772,1213 3.751,1214 7.426,1215 3.75,1216 3.789,1217 3.852,1218 3.677,1219 3.616,1220 4.728,1221 3.619,1222 3.612,1223 3.669,1224 3.479,1225 3.491,1226 4.686,1227 3.483,1228 3.327,1229 3.405,1230 3.216,1231 3.141,1232 4.547,1233 3.145,1234 3.216,1235 3.277,1236 3.082,1237 3.035,1238 4.332,1239 3.03,1240 3.126,1241 3.206,1242 2.998,1243 2.981,1244 4.106,1245 2.974,1246 0.115,1247 0.1,1248 0.174,1249 0.107,1250 0.082,1251 4.494,1252 0.101,1253 3.903,1254 0.045,1255 6.783,1256 0.286,1257 4.188,1258 0.082,1259 3.187,1260 3.928,1261 1.774,1262 11.165,1263 3.191,1264 1.982,1265 1.954,1266 2.105,1267 2.101,1268 1.446,1269 2.103,1270 1.952,1271 1.918,1272 2.083,1273 2.073,1274 1.366,1275 2.079,1276 1.812,1277 1.787,1278 1.963,1279 1.951,1280 1.213,1281 1.959,1282 1.76,1283 1.693,1284 1.923,1285 1.907,1286 1.094,1287 1.912,1288 1.619,1289 1.564,1290 1.835,1291 1.776,1292 0.99,1293 1.8,1294 1.304,1295 1.228,1296 1.607,1297 1.533,1298 0.832,1299 1.558,1300 1.203,1301 1.138,1302 1.513,1303 1.423,1304 0.825,1305 1.449,1306 1.153,1307 1.064,1308 1.503,1309 1.376,1310 0.78,1311 1.429,1312 4.369,1314 5.7,1316 7.235,1318 8.861,1320 10.534,1322 1.985,1324 27.157,1328 9.229,1332 -0.034,1333 4.794,1340 41.974,1341 99.846,1342 223.487,1343 298.464,1344 331.193,1345 339.193,1346 339.193,1347 75.893,1348 8.17,1349 35.91,1350 35.91,1351 30,1352 12.829,1353 4,1354 3.322,1355 52.333,1356 174,1357 151,1358 0.147,1359 252.41,1360 456.83,1361 607.641,1362 43945,1363 2.9,1364 24.363,1365 0.696,1366 0.581,1367 22.623,1368 20.35,1369 16.991,1370 0.436,1371 0.328,1372 12.64,1373 16.422,1374 12.37,1375 10.133,1376 16.204,1377 12.781,1378 15.42,1379 0.28,1380 0.181,1381 14.176,1382 9.963,1383 13.278,1384 0.179,1385 0.105,1386 12.456,1387 7.761,1388 11.043,1389 0.114,1390 0.06,1391 10.739,1392 5.807,1393 9.309,1394 0.073,1395 0.035,1396 8.838,1397 4.382,1398 0.234,1399 105.852,1400 0.195,1401 32.399,1402 0.391,1403 188,1404 566.893,1405 204.315,1406 499.779,1407 668.97,1408 468,1409 223,1410 476.697,1411 239.028,1412 472.106,1413 694.17,1414 447,1415 5.969}
{0 CHEMBL212162,1 1.54,2 11.938,3 5.722,4 32.74,5 120.787,6 7.527,7 0.5,8 4.169,9 4.278,10 3.754,11 3.716,12 5.243,13 3.703,14 4.745,15 4.912,16 4.129,17 4.121,18 5.815,19 4.095,20 4.983,21 5.179,22 4.162,23 4.302,24 5.992,25 4.226,26 5.129,27 5.367,28 4.096,29 4.356,30 5.979,31 4.236,32 5.172,33 5.424,34 4.129,35 4.403,36 5.962,37 4.279,38 5.197,39 5.421,40 4.113,41 4.425,42 6.097,43 4.282,44 5.254,45 5.55,46 4.006,47 4.253,48 6.101,49 4.106,50 4.957,51 5.223,52 3.833,53 3.9,54 6.074,55 3.836,56 0.032,57 0.939,58 11.587,59 5.738,60 6.973,61 7.016,62 0.375,63 1.568,64 23.758,65 9.221,66 28.688,67 11.596,68 0.364,69 1.997,70 31.081,71 12.718,72 47.692,73 16.14,74 0.401,75 2.082,76 38.061,77 15.009,78 52.148,79 20.327,80 0.491,81 2.058,82 40.331,83 15.414,84 46.643,85 21.604,86 0.51,87 2.259,88 39.87,89 16.525,90 52.613,91 22.313,92 0.522,93 2.249,94 47.669,95 16.722,96 66.594,97 23.533,98 0.839,99 1.99,100 36.997,101 11.571,102 101.218,103 13.547,104 10,105 51,106 0.25,107 0.514,108 0.667,109 0.726,110 0.76,111 0.765,112 3.502,113 0.911,114 -5.88,115 -5.74,116 -5.34,121 44.8,122 1,127 5,128 1,129 1,144 10,145 4,146 4,176 12,179 1,180 5,187 13,191 1,192 10,200 10,206 9,214 8,218 1,219 4,227 8,231 1,232 6,239 4,244 6,251 2,255 1,264 8,268 1,277 16,281 1796,282 21.825,283 21.825,284 21.825,285 21.825,286 21.825,287 19.545,288 29.706,289 12.748,290 22.308,291 17.78,292 17.78,293 17.78,294 17.78,295 17.78,296 14.407,297 39.136,298 6.094,299 18.609,300 4.318,301 2.697,302 1.758,303 1.392,304 1.185,305 1.151,306 4.212,312 1,313 849,314 3,317 89.413,318 428.012,321 153.255,325 1.77,326 32.316,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 70,338 382,339 4.395,340 3.558,341 6.783,342 4.117,343 3.149,344 4.07,345 1.392,346 11.165,347 3.055,348 4.34,349 3.368,350 6.328,351 4.01,352 3.041,353 3.829,354 1.277,355 9.697,356 2.948,357 3.929,358 3.021,359 5.852,360 3.558,361 2.619,362 3.535,363 0.916,364 8.092,365 2.451,366 3.811,367 2.905,368 5.402,369 3.467,370 2.501,371 3.133,372 0.532,373 6.944,374 2.412,375 3.709,376 2.867,377 5.348,378 3.369,379 2.419,380 3.022,381 0.494,382 6.791,383 2.285,384 3.451,385 2.654,386 5.15,387 3.201,388 2.262,389 2.536,390 0.172,391 6.282,392 2.106,393 3.239,394 2.264,395 4.929,396 2.827,397 1.894,398 2.509,400 5.615,401 1.762,402 3.091,403 2.172,404 4.845,405 2.815,406 1.857,407 2.251,409 5.382,410 1.759,411 2.945,412 2.054,413 4.612,414 2.617,415 1.664,416 2.006,418 4.856,419 1.578,420 2.5,421 1.74,422 3.732,423 2.108,424 1.11,425 1.5,427 2.49,428 1.107,429 2.5,430 1.464,431 3.595,432 2,433 1,434 1.5,436 2.373,437 1,438 2.208,439 1.146,440 3.452,441 2,442 1,443 1.189,445 2.275,446 1,447 2.017,448 1.005,449 3.414,450 1.967,451 1,452 1,454 2.275,455 0.965,456 2,457 1,458 3.414,459 1.828,460 0.895,461 0.97,463 2.275,464 0.826,465 1.807,466 1,467 3.414,468 1.568,469 0.618,470 0.71,472 1.682,473 0.581,474 15.038,475 0.47,476 0.78,477 0.024,478 40,479 1.25,480 19,481 0.594,482 21,483 0.656,484 28.914,485 0.904,486 34.762,487 0.599,488 31.006,489 0.969,490 8.201,491 0.256,492 7.363,493 0.23,494 0.071,496 0.352,499 2,501 0.652,502 1.095,503 0.723,504 1.111,505 0.525,506 0.974,507 0.905,508 0.912,509 0.891,510 0.878,511 0.555,512 0.866,513 0.877,514 1.036,515 1.07,516 1.106,517 0.813,518 1.122,519 0.642,520 0.904,521 0.977,522 1.065,523 0.591,524 1.091,525 0.481,526 0.671,527 0.864,528 0.879,529 0.303,530 0.94,531 0.54,532 0.965,533 1.095,534 1.27,535 0.579,536 1.317,537 0.657,538 0.921,539 0.787,540 0.938,541 0.599,542 0.904,543 1.886,544 1.228,545 1.215,546 0.8,547 2.091,548 0.829,549 6.5,550 0.162,551 3.778,552 2.194,553 1.946,554 0.716,555 0.931,556 0.632,557 0.243,558 0.316,559 15237,560 42532,561 2.154,562 44.8,563 3,564 21,565 2,572 1.745,573 2.043,574 3.525,575 -0.805,582 89.34,583 1.54,584 3.161,585 4.1,586 4.466,587 4.673,588 4.707,589 2.878,590 4.101,591 4.971,592 3.741,593 1855.39,594 8.7,595 27301,600 339.763,601 1.317,602 4.943,603 0.181,604 0.005,605 0.074,606 0.043,607 0.041,608 0.014,609 0.021,610 0.016,611 0.008,612 0.011,613 0.414,614 0.33,615 0.75,616 0.476,617 168.278,618 -0.01,619 -0.128,620 0.067,621 -0.073,622 -0.02,623 -0.005,624 -0.043,625 0.027,626 0.003,627 0.084,628 0.045,629 0.067,630 -0.085,631 -0.042,632 -0.166,633 -0.116,634 -0.022,635 -0.149,636 -0.026,637 -0.065,638 -0.059,639 -0.085,640 -0.016,641 -0.081,642 0.015,643 0.049,644 0.046,645 0.081,646 0.016,647 0.074,648 0.064,649 -0.139,650 -0.195,651 -0.276,652 -0.024,653 -0.302,654 0.055,655 -0.138,656 0.222,657 0.01,658 0.078,659 0.121,660 -0.228,661 0.072,662 -0.06,663 0.153,664 -0.192,665 0.105,666 1.921,667 5.535,668 0.844,669 33.445,670 1.006,671 1.129,672 4.65,673 21.624,674 0.667,675 3.611,676 3.951,677 4.234,678 4.511,679 4.771,680 4.828,681 5.004,682 5.118,683 5.112,684 5.247,685 7.314,686 0.639,687 436.54,688 3.611,689 5.165,690 6.023,691 6.907,692 7.782,693 8.668,694 9.55,695 10.438,696 11.323,697 12.211,698 3.4,701 2,715 10,720 8,722 18,739 2,740 2,741 58,743 18,744 3,745 36,747 62,748 26,749 18,750 8,751 10,756 5,757 6,763 1,770 1,772 18,773 8,791 2,793 26,794 6,796 6,802 2,808 0.8,809 2,828 1,829 4,832 1,855 2,859 4,864 1,866 2,868 32,876 6,878 2,880 1,881 2,892 2,893 3.4,898 2,901 15.667,902 10.686,903 6.889,904 3.499,907 2.272,908 1.285,909 1.008,910 6.03,911 10.243,912 3.829,913 4.413,914 4.94,915 5.466,916 6.003,917 6.104,918 6.375,919 6.656,920 6.761,921 7.037,922 0.875,923 51,924 11.9,926 5.163,927 0.026,929 7.771,931 22.93,933 19.376,936 2.271,937 72.667,941 306.049,942 162.238,943 6.249,945 22,946 29.92,948 162.238,949 328.048,950 36.169,951 8.825,952 17.179,953 94.762,955 69.72,956 53.462,957 282.506,959 306.049,960 168.486,961 51.92,964 335.969,965 22,968 32.253,969 136.234,972 335.969,973 28.248,974 162.238,977 306.049,978 58.65,979 109.836,981 51.92,982 306.049,983 58.169,984 162.238,986 0.587,987 0.341,988 0.184,989 0.107,990 26,991 11,992 0.081,993 5,994 1,995 1.074,996 4.36,997 301.427,998 0.074,999 27,1000 132,1005 21.234,1006 9.088,1007 4.625,1009 58.169,1010 17.399,1015 5.597,1018 526.455,1019 45,1031 58.37,1032 65.492,1034 0.263,1035 0.54,1036 0.7,1037 0.762,1038 0.798,1039 0.804,1040 5.085,1041 1.857,1042 6.009,1043 5.615,1044 4.635,1045 5.1,1046 2.294,1047 6.817,1048 4.549,1049 6.272,1050 1.664,1051 7.564,1052 5.382,1053 4.205,1054 4.844,1055 1.057,1056 7.698,1057 4.046,1058 7.569,1059 1.11,1060 9.215,1061 4.856,1062 6.229,1063 7.221,1064 2.549,1065 10.798,1066 6.066,1067 8.896,1068 1,1069 10.924,1070 2.49,1071 6.608,1072 7.742,1073 1.524,1074 12.535,1075 6.384,1076 10.253,1077 1,1078 12.671,1079 2.373,1080 8.093,1081 9.614,1082 3.036,1083 15.155,1084 7.864,1085 11.63,1086 1,1087 14.446,1088 2.275,1089 8.852,1090 10.505,1091 1.926,1092 17.266,1093 8.575,1094 13.023,1095 0.895,1096 16.243,1097 2.275,1098 10.117,1099 12.151,1100 3.606,1101 19.727,1102 9.829,1103 3.149,1104 0.618,1105 18.056,1106 2.275,1107 11.064,1108 13.244,1109 2.339,1110 22.001,1111 10.737,1112 3.041,1113 11.165,1114 19.883,1115 1.682,1116 12.239,1117 14.773,1118 4.211,1119 24.412,1120 11.895,1121 2.619,1122 9.697,1123 21.721,1124 4.07,1125 13.279,1126 15.982,1127 2.774,1128 26.756,1129 12.901,1130 2.501,1131 8.092,1132 23.57,1133 3.829,1134 14.419,1135 17.446,1136 4.833,1137 29.153,1138 14.02,1139 2.419,1140 6.944,1141 25.426,1142 3.535,1143 15.504,1144 18.726,1145 3.228,1146 31.528,1147 15.075,1148 2.262,1149 6.791,1150 27.29,1151 3.133,1152 16.633,1153 20.154,1154 5.464,1155 33.924,1156 16.18,1157 1.894,1158 6.282,1159 29.16,1160 3.022,1161 17.741,1162 21.476,1163 3.696,1164 36.313,1165 17.259,1166 14045,1167 23607,1168 24.561,1169 38.694,1170 54.383,1171 55.172,1172 55.652,1173 54.268,1174 54.101,1175 67.572,1176 9.564,1177 156.502,1178 51.71,1179 5.395,1180 5.558,1181 6.285,1182 5.185,1183 5.149,1184 7.07,1185 2.783,1186 17.921,1187 5.055,1188 13.35,1189 1.511,1190 1.533,1191 1.546,1192 1.507,1193 1.503,1194 1.877,1195 0.266,1196 4.347,1197 1.436,1198 4.045,1199 4.08,1200 3.988,1201 3.957,1202 8.203,1203 3.959,1204 3.968,1205 3.985,1206 3.922,1207 3.888,1208 8.2,1209 3.893,1210 3.824,1211 3.852,1212 3.772,1213 3.751,1214 5,1215 3.75,1216 3.757,1217 3.819,1218 3.653,1219 3.569,1220 4.713,1221 3.579,1222 3.414,1223 3.447,1224 3.314,1225 3.18,1226 4.547,1227 3.207,1228 3.248,1229 3.317,1230 3.154,1231 3.071,1232 4.413,1233 3.079,1234 3.111,1235 3.206,1236 2.923,1237 2.941,1238 4.255,1239 2.916,1240 3.077,1241 3.144,1242 2.866,1243 2.929,1244 3.986,1245 2.91,1246 0.122,1247 0.099,1248 0.188,1249 0.114,1250 0.087,1251 4.395,1252 0.113,1253 3.558,1254 0.039,1255 6.783,1256 0.31,1257 4.117,1258 0.085,1259 3.149,1260 4.07,1261 1.392,1262 11.165,1263 3.055,1264 1.982,1265 1.954,1266 2.09,1267 2.096,1268 1.366,1269 2.097,1270 1.918,1271 1.897,1272 2.026,1273 2.012,1274 1.224,1275 2.018,1276 1.812,1277 1.787,1278 1.923,1279 1.907,1280 1.122,1281 1.912,1282 1.708,1283 1.642,1284 1.902,1285 1.892,1286 0.99,1287 1.899,1288 1.23,1289 1.175,1290 1.523,1291 1.527,1292 0.825,1293 1.503,1294 1.19,1295 1.142,1296 1.513,1297 1.437,1298 0.688,1299 1.439,1300 1.153,1301 1.072,1302 1.43,1303 1.388,1304 0.581,1305 1.429,1306 1.125,1307 1.064,1308 1.405,1309 1.376,1310 0.559,1311 1.411,1312 4.29,1314 5.624,1315 2.398,1316 7.149,1317 4.595,1318 8.76,1319 6.581,1320 10.415,1322 2.104,1324 27.07,1328 4.685,1330 11.018,1332 -0.036,1333 4.83,1340 37.087,1341 89.34,1342 183.324,1343 237.789,1344 259.008,1345 271.008,1346 273.008,1347 53.24,1348 7.971,1349 24.94,1350 24.94,1351 29,1352 12.741,1353 4.248,1354 3.322,1355 45.707,1356 140,1357 125,1358 0.156,1359 220.835,1360 391.82,1361 530.598,1362 32667,1363 3.4,1364 22.079,1365 0.69,1366 0.564,1367 20.338,1368 18.06,1369 15.564,1370 0.432,1371 0.304,1372 10.752,1373 14.877,1374 10.509,1375 8.625,1376 14.776,1377 10.931,1378 14.294,1379 0.28,1380 0.166,1381 13.05,1382 8.45,1383 12.183,1384 0.179,1385 0.094,1386 11.361,1387 6.369,1388 10.087,1389 0.112,1390 0.051,1391 9.784,1392 4.581,1393 8.63,1394 0.074,1395 0.029,1396 8.16,1397 3.439,1398 0.247,1399 98.118,1400 0.202,1401 29.961,1402 0.425,1403 174,1404 578.984,1405 193.464,1406 501.896,1407 674.58,1408 472,1409 206,1410 483.153,1411 225.123,1412 478.735,1413 704.53,1414 449,1415 5.872}
{0 CHEMBL212220,1 1.606,2 9.792,3 3.879,4 15.05,5 95.397,6 6.932,7 0.2,8 3.989,9 4.119,10 3.517,11 3.511,12 5.013,13 3.437,14 4.581,15 4.777,16 3.922,17 3.93,18 5.581,19 3.815,20 4.9,21 5.149,22 3.869,23 4.052,24 5.784,25 3.902,26 4.987,27 5.234,28 3.923,29 4.045,30 6.015,31 3.927,32 4.942,33 5.18,34 3.999,35 4.049,36 6.002,37 3.945,38 4.986,39 5.205,40 4.017,41 4.066,42 6.245,43 3.941,44 4.942,45 5.196,46 3.688,47 3.955,48 5.972,49 3.793,50 4.687,51 4.945,52 3.604,53 3.78,54 5.67,55 3.604,56 0.056,57 0.738,58 12.628,59 5.354,60 9.368,61 7.035,62 0.276,63 1.198,64 25.131,65 8.725,66 48.341,67 12.507,68 0.266,69 1.407,70 34.982,71 11.695,72 45.266,73 16.148,74 0.593,75 1.434,76 39.684,77 11.023,78 93.967,79 15.556,80 0.433,81 1.412,82 35.359,83 10.779,84 69.946,85 15.179,86 0.81,87 1.453,88 42.306,89 11.654,90 138.904,91 15.403,92 0.66,93 1.33,94 39.859,95 10.584,96 101.435,97 14.49,98 0.431,99 1.097,100 30.462,101 8.831,102 58.091,103 12.469,104 39,105 34,106 0.276,107 0.482,108 0.677,109 0.823,110 0.842,111 0.842,112 3.228,113 1.162,114 -4.18,115 -4.12,116 -3.89,121 33.3,122 2,123 9,124 1,125 1,160 2,163 1,164 1,168 1,170 1,174 1,176 12,177 1,180 5,183 3,185 3,187 13,188 2,192 7,195 1,197 5,200 9,201 2,205 1,206 8,211 6,214 8,215 3,218 1,219 8,220 1,224 5,225 1,227 9,228 3,231 1,232 11,235 2,236 1,237 4,239 9,244 6,245 1,249 1,251 9,252 1,255 1,256 4,257 1,259 1,261 2,264 9,268 1,269 2,272 1,277 5,278 1,281 922,282 16.007,283 16.007,284 16.007,285 16.007,286 16.007,287 15.115,288 18.47,289 9.565,290 16.325,291 12.193,292 12.193,293 12.193,294 12.193,295 12.193,296 10.73,297 25.238,298 4.34,299 12.745,300 4.066,301 2.865,302 1.731,303 0.883,304 0.775,305 0.775,306 3.883,310 1,311 1,312 1,313 474,314 4.359,317 159.244,325 1.476,326 33.046,328 1,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 52.5,338 235,339 4.568,340 4.026,341 7.627,342 4.505,343 3.503,344 3.78,345 2.341,346 13.9,347 3.509,348 4.103,349 3.711,350 5.906,351 3.666,352 2.735,353 3.613,354 1.907,355 8.102,356 2.649,357 3.836,358 2.895,359 5.658,360 3.576,361 2.644,362 2.995,363 0.149,364 7.866,365 2.333,366 3.284,367 2.697,368 5.045,369 2.97,370 2.037,371 2.44,373 5.853,374 1.898,375 2.911,376 2.144,377 4.617,378 2.579,379 1.593,380 1.928,382 4.082,383 1.57,384 2.72,385 2.043,386 3.971,387 2.574,388 1.574,389 1.691,391 3.264,392 1.541,393 2.365,394 1.428,395 3.669,396 2.252,397 1.246,398 1.34,400 2.777,401 1.241,402 2.222,403 1.287,404 3.618,405 1.958,406 0.953,407 1.103,409 1.977,410 0.947,411 2.092,412 0.893,413 3.302,414 1.685,415 0.748,416 1.006,418 1.735,419 0.686,420 1.618,421 0.618,422 3.222,423 1.618,424 0.618,425 0.618,427 1.464,428 0.618,429 1.498,430 0.472,431 2.901,432 1.246,433 0.337,434 0.383,436 0.495,437 0.3,438 1.195,439 0.459,440 2.781,441 1.177,442 0.177,443 0.179,445 0.3,446 0.177,447 0.973,448 0.271,449 2.506,450 0.547,451 -0.411,452 -0.517,454 -1.042,455 -0.384,456 0.532,457 0.186,458 2.034,459 0.413,460 -0.591,461 -0.596,463 -1.381,464 -0.588,465 0.346,466 -0.438,467 1.851,469 -1,470 -1.158,472 -2,473 -0.963,474 11.533,475 0.481,476 0.583,477 0.024,478 21.75,479 0.906,480 7.5,481 0.313,482 14.25,483 0.594,484 28.823,485 1.201,486 28.667,487 0.562,488 13.576,489 0.566,490 3.145,491 0.131,492 8.358,493 0.348,494 0.173,495 0.043,496 0.217,501 0.695,502 1.283,503 0.854,504 1.119,505 0.62,506 1.125,507 0.334,508 1.301,509 0.775,510 1.177,511 0.373,512 1.123,513 0.758,514 1.147,515 0.923,516 1.107,517 0.787,518 1.06,519 1.368,520 0.946,521 1.019,522 0.921,523 1.444,524 0.925,525 1.243,526 0.993,527 0.817,528 0.861,529 1.297,530 0.915,531 1.434,532 1.073,533 1.311,534 1.137,535 1.439,536 1.056,537 1.707,538 0.89,539 1.325,540 0.946,541 1.687,542 0.985,543 0.821,544 1.078,545 1.053,546 1.137,547 0.829,548 1.121,549 6,550 0.07,551 2.889,552 1.819,553 1.53,554 0.864,555 0.567,556 0.291,557 0.193,558 0.159,559 5427,560 14286,561 1.939,562 52.9,563 22,567 2,568 3,572 1.675,573 1.789,574 3.23,575 0.337,577 1,582 81.915,583 1.606,584 2.808,585 3.942,586 4.79,587 4.898,588 4.898,589 2.701,590 4.22,591 4.552,592 3.368,593 929.492,594 7.89,595 10928,597 1,599 1,600 289.294,601 1.613,602 4.488,603 0.24,604 0.008,605 0.085,606 0.055,607 0.045,608 0.023,609 0.016,610 0.012,611 0.009,612 0.011,613 0.505,614 0.33,615 1,616 1.802,617 113.413,618 -0.004,619 0.049,620 0.051,621 0.063,622 -0.004,623 0.028,624 0.289,625 -0.137,626 0.161,627 -0.059,628 0.197,629 -0.024,630 0.022,631 -0.138,632 0.016,633 -0.091,634 -0.001,635 -0.037,636 -0.135,637 0.031,638 -0.039,639 0.018,640 -0.142,641 0.024,642 -0.072,643 -0.003,644 0.072,645 0.046,646 -0.068,647 0.046,648 0.016,649 -0.042,650 -0.132,651 -0.068,652 0.069,653 -0.093,654 -0.332,655 0.073,656 -0.226,657 0.035,658 -0.255,659 -0.055,660 0.052,661 -0.064,662 -0.039,663 -0.125,664 0.025,665 -0.131,666 2.452,667 5.901,668 0.417,669 20.069,670 0.999,671 1.138,672 2.946,673 8.676,674 0.631,675 3.258,676 3.555,677 3.784,678 3.97,679 4.043,680 4.06,681 4.007,682 4.007,683 3.807,684 3.714,685 5.702,686 0.583,687 353.54,688 3.258,689 4.779,690 5.609,691 6.482,692 7.344,693 8.224,694 9.099,695 9.984,696 10.865,697 11.752,698 5.9,705 1,708 2,716 2,719 1,720 2,722 5,741 51,743 7,745 25,747 52,748 17,749 2,756 2,757 2,763 2,764 1,766 1,767 4,770 9,772 4,773 13,774 1,777 2,782 2,786 2,790 1,793 27,794 6,795 2,796 7,797 1,802 3,808 1,809 3,828 2,843 1,845 1,857 1,859 2,862 1,864 2,868 24,875 1,876 9,877 1,880 1,882 1,893 5.9,895 1,896 2,901 13.417,902 9.433,903 5.569,904 3.711,907 0.828,908 1.132,909 0.884,910 7.15,911 7.103,912 3.418,913 3.855,914 4.232,915 4.596,916 4.683,917 4.81,918 4.868,919 4.923,920 4.863,921 4.925,922 0.857,923 33,924 9.013,926 3.828,927 0.026,929 7.878,931 17.311,933 14.343,936 2.378,937 57.083,939 1,940 1,941 294.278,942 78.784,943 51.337,945 92.973,947 31.278,948 47.506,949 387.251,950 51.337,951 17.65,952 40.822,954 132.843,955 0.501,957 325.555,959 294.278,960 98.843,961 92.973,962 31.278,964 294.278,965 92.973,968 59.902,969 5.615,970 33.326,971 31.278,972 294.278,973 144.31,974 78.784,977 294.278,978 61.133,979 17.65,980 18.011,981 126.299,982 294.278,983 144.31,984 78.784,986 0.567,987 0.335,988 0.172,989 0.091,990 14,991 7,992 0.173,993 9,995 1,996 3.472,997 184.262,999 10,1000 106.039,1001 1,1005 19.301,1006 8.891,1007 4.987,1009 144.31,1011 8.04,1014 1.387,1015 1.403,1017 60.694,1018 517.371,1019 29.5,1024 24.507,1028 -0.867,1031 50.967,1032 58.026,1034 0.283,1035 0.495,1036 0.695,1037 0.844,1038 0.863,1039 0.863,1040 4.666,1041 0.953,1042 5.624,1043 2.777,1044 4.234,1045 4.538,1046 2.748,1047 6.485,1048 4.16,1049 5.837,1050 0.748,1051 7.228,1052 1.977,1053 4.007,1054 4.407,1055 2.591,1056 7.879,1057 3.92,1058 7.148,1059 0.618,1060 8.958,1061 1.735,1062 5.922,1063 6.532,1064 4.005,1065 10.923,1066 5.805,1067 8.499,1068 0.337,1069 10.773,1070 1.464,1071 6.581,1072 7.238,1073 4.392,1074 13.201,1075 6.484,1076 9.89,1077 0.177,1078 12.647,1079 0.495,1080 8.001,1081 8.856,1082 5.469,1083 15.909,1084 7.893,1085 11.305,1086 -0.411,1087 14.562,1088 0.3,1089 9.014,1090 9.897,1091 6.092,1092 18.445,1093 8.934,1094 12.738,1095 -0.591,1096 16.508,1097 -1.042,1098 10.291,1099 11.334,1100 7.032,1101 21.09,1102 10.214,1103 3.503,1104 -1,1105 18.476,1106 -1.381,1107 11.443,1108 12.519,1109 7.767,1110 23.696,1111 11.389,1112 2.735,1113 13.9,1114 20.461,1115 -2,1116 12.684,1117 13.884,1118 8.649,1119 26.33,1120 12.639,1121 2.644,1122 8.102,1123 22.457,1124 3.78,1125 13.891,1126 15.135,1127 9.44,1128 28.954,1129 13.862,1130 2.037,1131 7.866,1132 24.462,1133 3.613,1134 15.129,1135 16.47,1136 10.299,1137 31.586,1138 15.109,1139 1.593,1140 5.853,1141 26.474,1142 2.995,1143 16.358,1144 17.752,1145 11.117,1146 34.216,1147 16.35,1148 1.574,1149 4.082,1150 28.491,1151 2.44,1152 17.6,1153 19.075,1154 11.967,1155 36.848,1156 17.599,1157 1.246,1158 3.264,1159 30.511,1160 1.928,1161 18.841,1162 20.373,1163 12.8,1164 39.479,1165 18.848,1166 5636,1167 9296,1168 15.89,1169 32.165,1170 36.502,1171 37.189,1172 39.352,1173 36.378,1174 36.331,1175 42.149,1176 8.794,1177 103.631,1178 34.938,1179 5.54,1180 5.99,1181 7.488,1182 5.624,1183 5.503,1184 6.393,1185 3.925,1186 21.295,1187 5.482,1188 13.835,1189 1.46,1190 1.488,1191 1.574,1192 1.455,1193 1.453,1194 1.686,1195 0.352,1196 4.145,1197 1.398,1198 3.987,1199 4.027,1200 4.223,1201 3.886,1202 7.474,1203 3.874,1204 3.804,1205 3.844,1206 3.859,1207 3.752,1208 7.428,1209 3.683,1210 3.728,1211 3.784,1212 3.596,1213 3.599,1214 6.351,1215 3.585,1216 3.487,1217 3.542,1218 3.329,1219 3.311,1220 5.008,1221 3.303,1222 3.387,1223 3.461,1224 3.247,1225 3.184,1226 4.286,1227 3.176,1228 3.184,1229 3.235,1230 3.089,1231 2.979,1232 4.147,1233 2.975,1234 3.044,1235 3.104,1236 2.862,1237 2.76,1238 4.016,1239 2.766,1240 2.878,1241 2.979,1242 2.658,1243 2.671,1244 3.803,1245 2.635,1246 0.183,1247 0.161,1248 0.305,1249 0.18,1250 0.14,1251 4.568,1252 0.151,1253 4.026,1254 0.094,1255 7.627,1256 0.556,1257 4.505,1258 0.14,1259 3.503,1260 3.78,1261 2.341,1262 13.9,1263 3.509,1264 1.848,1265 1.811,1266 2.041,1267 1.992,1268 1.434,1269 2.007,1270 1.666,1271 1.613,1272 1.899,1273 1.839,1274 1.239,1275 1.861,1276 1.593,1277 1.544,1278 1.86,1279 1.757,1280 1.211,1281 1.797,1282 1.577,1283 1.507,1284 1.837,1285 1.751,1286 1.051,1287 1.793,1288 1.412,1289 1.362,1290 1.664,1291 1.652,1292 0.928,1293 1.647,1294 1.237,1295 1.188,1296 1.36,1297 1.484,1298 0.572,1299 1.471,1300 0.988,1301 0.915,1302 1.305,1303 1.309,1304 0.437,1305 1.313,1306 0.911,1307 0.835,1308 1.12,1309 1.191,1310 0.244,1311 1.185,1312 3.932,1314 5.231,1315 3.045,1316 6.715,1317 5.283,1318 8.291,1319 7.273,1320 9.921,1322 4.049,1327 9.529,1328 7.165,1329 2.893,1332 -0.45,1334 -0.575,1340 29.717,1341 81.915,1342 143.197,1343 201.029,1344 244.274,1345 249.784,1346 249.784,1347 77.006,1348 6.275,1349 92.18,1350 120.42,1351 10,1352 12.284,1353 3,1354 2.459,1355 48.109,1356 77,1357 94,1358 0.297,1359 190.846,1360 334.36,1361 457.425,1362 3200,1364 17.579,1365 0.732,1366 0.639,1367 17.933,1368 15.324,1369 11.503,1370 0.46,1371 0.387,1372 8.855,1373 10.667,1374 8.547,1375 7.152,1376 11.911,1377 9.687,1378 10.01,1379 0.294,1380 0.228,1381 10.705,1382 7.74,1383 8.099,1384 0.188,1385 0.137,1386 8.864,1387 5.908,1388 6.15,1389 0.118,1390 0.08,1391 6.878,1392 4.162,1393 4.392,1394 0.078,1395 0.047,1396 4.905,1397 2.642,1398 0.455,1399 76.15,1400 0.251,1401 23.245,1402 0.847,1403 118,1404 350.104,1405 157.485,1406 353.494,1407 464.84,1408 326,1409 136,1410 314.761,1411 168.187,1412 329.225,1413 478.12,1414 309,1415 5.523}
{0 CHEMBL212374,1 1.509,2 12.375,3 4.057,4 16.458,5 122.596,6 7.14,7 0.314,8 4.196,9 4.31,10 3.721,11 3.729,12 5.281,13 3.701,14 4.763,15 4.933,16 4.094,17 4.156,18 5.839,19 4.096,20 5.08,21 5.299,22 4.143,23 4.3,24 6.024,25 4.205,26 5.209,27 5.447,28 4.177,29 4.287,30 6.197,31 4.213,32 5.142,33 5.363,34 4.228,35 4.285,36 6.201,37 4.229,38 5.144,39 5.346,40 4.205,41 4.258,42 6.392,43 4.2,44 5.057,45 5.28,46 4.011,47 4.189,48 6.161,49 4.091,50 4.971,51 5.244,52 3.775,53 4.06,54 5.808,55 3.929,56 0.051,57 0.862,58 13.099,59 6.002,60 11.168,61 7.773,62 0.338,63 1.42,64 24.858,65 10.207,66 51.516,67 13.972,68 0.216,69 1.794,70 36.019,71 13.748,72 52.947,73 19.195,74 0.742,75 1.918,76 43.905,77 13.444,78 100.832,79 18.868,80 0.503,81 1.877,82 39.728,83 12.585,84 70.073,85 17.642,86 1.072,87 1.78,88 40.788,89 12.603,90 142.715,91 17.036,92 0.584,93 1.682,94 36.629,95 12.314,96 91.895,97 17.201,98 0.407,99 1.556,100 34.223,101 11.083,102 52.991,103 16.501,104 24,105 49,106 0.243,107 0.566,108 0.733,109 0.842,110 0.849,111 0.849,112 3.502,113 0.97,114 -5.87,115 -5.73,116 -5.33,121 41,122 1,123 7,124 1,125 1,127 1,137 2,138 1,139 1,144 5,145 1,160 2,163 2,168 1,170 1,174 1,176 18,177 1,179 3,180 9,183 1,185 1,187 18,188 2,192 16,197 2,200 10,201 2,205 2,206 18,211 2,214 9,215 3,218 1,219 12,220 2,224 3,227 14,228 2,231 4,232 10,233 1,235 2,237 2,239 17,243 2,244 12,247 1,251 13,252 1,256 12,261 1,264 7,265 1,269 9,270 1,274 1,277 8,278 1,281 1736,282 21.723,283 21.723,284 21.723,285 21.723,286 21.723,287 19.829,288 20.684,289 12.916,290 21.866,291 17.231,292 17.231,293 17.231,294 17.231,295 17.231,296 14.266,297 23.927,298 6.009,299 17.443,300 4.422,301 2.421,302 1.384,303 0.713,304 0.668,305 0.668,306 4.194,311 1,312 1,313 845,314 4,317 193.542,318 227.843,325 1.875,326 38.226,329 0.75,330 0.83,331 0.83,332 1,333 0.5,334 1,335 1,336 0.85,337 69.5,338 396,339 4.625,340 3.786,341 7.658,342 4.519,343 3.524,344 4.048,345 2.341,346 14.084,347 3.504,348 4.284,349 3.643,350 6.265,351 3.951,352 2.978,353 3.599,354 1.23,355 9.484,356 2.896,357 3.969,358 3.628,359 5.964,360 3.683,361 2.696,362 3.44,363 0.521,364 8.445,365 2.659,366 3.845,367 2.827,368 5.896,369 3.611,370 2.619,371 3.136,373 8.058,374 2.585,375 3.769,376 2.746,377 5.295,378 3.39,379 2.391,380 2.97,382 6.76,383 2.382,384 3.299,385 2.155,386 5.111,387 2.892,388 1.908,389 2.475,391 5.648,392 1.873,393 2.984,394 2.04,395 4.28,396 2.562,397 1.567,398 2.122,400 3.854,401 1.554,402 2.754,403 1.877,404 4.17,405 2.453,406 1.449,407 1.73,409 3.46,410 1.441,411 2.659,412 1.501,413 3.962,414 2.373,415 1.376,416 1.638,418 3.125,419 1.367,420 2.645,421 1.409,422 3.618,423 2.287,424 1.305,425 1.607,427 2.963,428 1.278,429 2.5,430 1.135,431 3.592,432 2.028,433 1.052,434 1.5,436 2.584,437 1.022,438 2.289,439 1,440 3.578,441 2,442 1,443 1.247,445 2.136,446 1,447 2.152,448 0.975,449 3.293,450 1.745,451 0.748,452 1.004,454 1.665,455 0.74,456 1.896,457 0.745,458 3.247,459 1.645,460 0.652,461 0.768,463 1.464,464 0.646,465 1.833,466 0.64,467 3.145,468 1.618,469 0.618,470 0.618,472 1.349,473 0.618,474 15.033,475 0.47,476 0.754,477 0.024,478 36,479 1.125,480 16,481 0.5,482 20,483 0.625,484 33.28,485 1.04,486 35.367,487 0.58,488 28.21,489 0.882,490 6.587,491 0.206,492 8.917,493 0.279,494 0.1,495 0.033,496 0.259,501 0.705,502 1.239,503 0.814,504 1.14,505 0.617,506 1.021,507 0.483,508 1.154,509 0.844,510 1.112,511 0.402,512 1.051,513 0.762,514 1.263,515 0.915,516 1.203,517 0.734,518 1.107,519 1.412,520 0.9,521 1.023,522 0.812,523 1.211,524 0.843,525 1.287,526 1.03,527 1.004,528 0.95,529 1.014,530 0.919,531 1.466,532 0.909,533 1.144,534 0.889,535 1.585,536 0.952,537 1.139,538 1.085,539 1.116,540 1.065,541 1.128,542 1.086,543 0.847,544 0.944,545 0.967,546 0.896,547 0.494,548 0.929,549 7,550 0.19,551 4,552 1.653,553 2.074,554 1.163,555 0.776,556 0.529,557 0.32,558 0.268,559 13837,560 35061,561 2.074,562 47.5,563 17,564 9,565 1,567 1,568 1,572 1.747,573 1.949,574 3.589,575 -0.372,577 1,582 92.042,583 1.509,584 3.509,585 4.547,586 5.217,587 5.263,588 5.263,589 3.052,590 4.351,591 4.97,592 3.745,593 1857.47,594 8.706,595 27057.9,597 1,600 361.775,601 1.478,602 4.929,603 0.2,604 0.007,605 0.082,606 0.034,607 0.041,608 0.022,609 0.016,610 0.013,611 0.01,612 0.009,613 0.432,614 0.17,615 0.88,616 1.25,617 167.954,618 0.007,619 -0.033,620 0.049,621 -0.011,622 -0.008,623 0.015,624 0.239,625 -0.032,626 0.057,627 -0.042,628 0.189,629 -0.03,630 0.014,631 -0.256,632 0.025,633 -0.174,634 0.008,635 -0.091,636 -0.149,637 0.081,638 0.011,639 0.12,640 -0.148,641 0.095,642 -0.129,643 0.011,644 0.002,645 -0.003,646 -0.058,647 0.024,648 0.044,649 0.093,650 -0.098,651 0.057,652 -0.033,653 -0.03,654 -0.044,655 -0.085,656 -0.122,657 -0.093,658 -0.042,659 -0.121,660 -0.071,661 0.044,662 0.012,663 0.049,664 -0.006,665 0.051,666 2.425,667 5.36,668 0.688,669 34.266,670 1.002,671 1.127,672 4.638,673 21.509,674 0.651,675 3.584,676 3.912,677 4.19,678 4.443,679 4.644,680 4.745,681 4.828,682 4.942,683 5.037,684 5.063,685 7.234,686 0.619,687 435.57,688 3.584,689 5.13,690 5.984,691 6.87,692 7.75,693 8.643,694 9.534,695 10.432,696 11.327,697 12.229,698 4.9,705 1,708 2,715 5,716 2,718 1,720 3,722 11,741 61,743 15,744 1,745 35,747 64,748 25,749 8,750 1,751 5,752 5,756 4,757 4,763 1,764 1,766 1,767 4,770 7,772 14,773 11,774 1,777 4,782 2,784 3,786 3,790 1,793 29,794 7,795 1,796 7,802 3,808 1,809 4,828 2,829 2,844 1,845 1,849 2,850 1,857 1,859 4,864 1,868 32,875 1,876 8,880 1,881 1,882 1,893 6.6,895 1,896 2,898 1,901 16.417,902 11.05,903 7.125,904 4.087,907 2.536,908 1.33,909 0.934,910 6.905,911 10.212,912 3.818,913 4.327,914 4.833,915 5.312,916 5.732,917 6.003,918 6.3,919 6.657,920 7.017,921 7.211,922 1,923 49,924 11.943,926 5.185,927 0.026,929 7.815,931 22.864,933 19.267,936 2.315,937 74.083,940 1,941 329.591,942 126.079,943 36.45,945 102.481,948 126.079,949 432.071,950 36.45,951 8.825,952 32.019,953 66.334,954 141.954,955 15.878,956 11.771,957 317.82,959 329.591,960 162.53,961 102.481,964 329.591,965 102.481,968 41.837,969 68.414,970 52.279,972 329.591,973 138.931,974 126.079,977 329.591,978 41.873,979 87.331,981 135.807,982 329.591,983 138.931,984 126.079,986 0.576,987 0.34,988 0.183,989 0.101,990 23,991 10,992 0.141,993 9,995 1,996 4.244,997 294.551,999 22,1000 149.245,1005 22.479,1006 9.83,1007 5.044,1009 138.931,1010 9.778,1011 8.631,1013 6.13,1015 1.905,1017 42.683,1018 594.601,1019 44.5,1024 24.158,1026 4.944,1028 -0.185,1031 61.101,1032 68.73,1034 0.254,1035 0.592,1036 0.767,1037 0.88,1038 0.887,1039 0.887,1040 5.074,1041 1.449,1042 5.989,1043 3.854,1044 4.595,1045 5.014,1046 2.564,1047 6.849,1048 4.57,1049 6.264,1050 1.376,1051 7.583,1052 3.46,1053 4.29,1054 4.732,1055 2.283,1056 8.12,1057 4.254,1058 7.571,1059 1.305,1060 9.297,1061 3.125,1062 6.267,1063 7.074,1064 3.73,1065 11.197,1066 6.217,1067 8.917,1068 1.052,1069 11.09,1070 2.963,1071 6.847,1072 7.627,1073 4.13,1074 13.388,1075 6.789,1076 10.299,1077 1,1078 12.938,1079 2.584,1080 8.303,1081 9.428,1082 5.231,1083 16.098,1084 8.233,1085 11.706,1086 0.748,1087 14.827,1088 2.136,1089 9.257,1090 10.359,1091 5.895,1092 18.6,1093 9.182,1094 13.131,1095 0.652,1096 16.746,1097 1.665,1098 10.543,1099 11.935,1100 6.856,1101 21.245,1102 10.46,1103 3.524,1104 0.618,1105 18.689,1106 1.464,1107 11.658,1108 13.062,1109 7.627,1110 23.844,1111 11.571,1112 2.978,1113 14.084,1114 20.65,1115 1.349,1116 12.896,1117 14.533,1118 8.528,1119 26.483,1120 12.803,1121 2.696,1122 9.484,1123 22.627,1124 4.048,1125 14.081,1126 15.767,1127 9.343,1128 29.112,1129 13.985,1130 2.619,1131 8.445,1132 24.615,1133 3.599,1134 15.313,1135 17.189,1136 10.216,1137 31.753,1138 15.213,1139 2.391,1140 8.058,1141 26.613,1142 3.44,1143 16.53,1144 18.484,1145 11.051,1146 34.393,1147 16.428,1148 1.908,1149 6.76,1150 28.618,1151 3.136,1152 17.767,1153 19.883,1154 11.912,1155 37.036,1156 17.661,1157 1.567,1158 5.648,1159 30.63,1160 2.97,1161 19.001,1162 21.215,1163 12.755,1164 39.679,1165 18.892,1166 13336,1167 21394,1168 23.345,1169 39.733,1170 53.557,1171 53.642,1172 54.362,1173 52.255,1174 52.212,1175 64.468,1176 8.185,1177 151.251,1178 51.576,1179 5.591,1180 5.786,1181 7.46,1182 5.557,1183 5.524,1184 7.048,1185 3.925,1186 21.682,1187 5.504,1188 15.27,1189 1.53,1190 1.533,1191 1.553,1192 1.493,1193 1.492,1194 1.842,1195 0.234,1196 4.321,1197 1.474,1198 4.046,1199 4.079,1200 3.995,1201 3.917,1202 7.474,1203 3.924,1204 3.925,1205 3.962,1206 3.851,1207 3.845,1208 7.428,1209 3.84,1210 3.824,1211 3.855,1212 3.753,1213 3.717,1214 6.351,1215 3.724,1216 3.709,1217 3.759,1218 3.602,1219 3.57,1220 5.251,1221 3.561,1222 3.573,1223 3.614,1224 3.498,1225 3.303,1226 4.755,1227 3.355,1228 3.388,1229 3.443,1230 3.218,1231 3.182,1232 4.458,1233 3.179,1234 3.171,1235 3.24,1236 3.031,1237 3.03,1238 4.261,1239 3.021,1240 3.047,1241 3.076,1242 2.943,1243 2.852,1244 4.111,1245 2.866,1246 0.132,1247 0.108,1248 0.219,1249 0.129,1250 0.101,1251 4.625,1252 0.116,1253 3.786,1254 0.067,1255 7.658,1256 0.402,1257 4.519,1258 0.1,1259 3.524,1260 4.048,1261 2.341,1262 14.084,1263 3.504,1264 1.926,1265 1.895,1266 2.048,1267 2.035,1268 1.426,1269 2.037,1270 1.838,1271 1.803,1272 2.026,1273 1.979,1274 1.211,1275 1.993,1276 1.78,1277 1.753,1278 1.884,1279 1.904,1280 1.183,1281 1.902,1282 1.609,1283 1.555,1284 1.86,1285 1.782,1286 1.175,1287 1.806,1288 1.577,1289 1.507,1290 1.851,1291 1.751,1292 0.957,1293 1.793,1294 1.3,1295 1.252,1296 1.573,1297 1.563,1298 0.807,1299 1.553,1300 1.209,1301 1.166,1302 1.448,1303 1.456,1304 0.629,1305 1.427,1306 1.126,1307 1.087,1308 1.248,1309 1.338,1310 0.413,1311 1.328,1312 4.263,1314 5.587,1315 3.045,1316 7.104,1317 5.283,1318 8.711,1319 7.31,1320 10.366,1322 2.006,1327 9.688,1328 6.205,1332 -0.416,1333 1.627,1334 -0.387,1340 37.772,1341 92.042,1342 214.075,1343 277.353,1344 318.265,1345 321.02,1346 321.02,1347 76.719,1348 7.676,1349 98.22,1350 98.22,1351 22,1352 12.751,1353 4,1354 3.392,1355 51.794,1356 140,1357 140,1358 0.182,1359 231.027,1360 414.22,1361 555.465,1362 22304,1364 22.554,1365 0.705,1366 0.574,1367 22.554,1368 18.367,1369 15.504,1370 0.443,1371 0.323,1372 11.196,1373 14.966,1374 10.952,1375 9.101,1376 15.504,1377 11.322,1378 13.887,1379 0.283,1380 0.18,1381 13.887,1382 8.797,1383 11.64,1384 0.179,1385 0.1,1386 11.64,1387 6.489,1388 9.482,1389 0.113,1390 0.057,1391 9.482,1392 4.806,1393 7.536,1394 0.073,1395 0.03,1396 7.536,1397 3.087,1398 0.286,1399 97.056,1400 0.207,1401 29.842,1402 0.5,1403 168,1404 488.292,1405 184.927,1406 467.203,1407 630.62,1408 434,1409 198,1410 464.207,1411 215.653,1412 465.492,1413 679.97,1414 437,1415 5.523}
{0 CHEMBL212377,1 1.605,2 10.12,3 3.76,4 14.135,5 98.144,6 7.03,7 0.185,8 4.025,9 4.151,10 3.574,11 3.569,12 5.021,13 3.499,14 4.611,15 4.802,16 3.948,17 3.973,18 5.593,19 3.856,20 4.921,21 5.168,22 3.893,23 4.082,24 5.79,25 3.933,26 5.006,27 5.254,28 4.036,29 4.086,30 6.026,31 3.968,32 4.945,33 5.169,34 4.054,35 4.083,36 6.041,37 3.979,38 4.983,39 5.206,40 3.996,41 4.046,42 6.232,43 3.921,44 4.858,45 5.109,46 3.652,47 3.907,48 5.867,49 3.745,50 4.649,51 4.919,52 3.589,53 3.714,54 5.62,55 3.546,56 0.056,57 0.768,58 12.745,59 5.558,60 9.132,61 7.235,62 0.269,63 1.246,64 25.407,65 9.115,66 47.596,67 12.91,68 0.266,69 1.461,70 35.589,71 12.152,72 43.646,73 16.621,74 0.579,75 1.507,76 40.11,77 11.557,78 91.101,79 15.943,80 0.452,81 1.492,82 38.451,83 11.263,84 70.608,85 15.111,86 0.863,87 1.479,88 42.435,89 11.327,90 141.663,91 14.922,92 0.561,93 1.304,94 36.784,95 9.827,96 81.035,97 13.425,98 0.438,99 1.049,100 29.852,101 8.472,102 54.579,103 11.828,104 24,105 38,106 0.273,107 0.484,108 0.683,109 0.831,110 0.831,111 0.831,112 3.267,113 1.134,114 -4.41,115 -4.34,116 -4.1,121 34.6,122 1,123 10,124 2,125 1,160 2,163 1,164 1,168 1,170 1,174 1,176 14,177 1,180 5,183 3,185 3,187 14,188 2,192 7,195 1,197 5,200 8,201 2,205 1,206 10,211 6,214 9,215 3,218 1,219 10,220 1,224 5,225 1,227 8,228 2,231 1,232 10,235 2,236 1,237 5,239 8,244 6,245 1,249 1,251 7,252 1,255 1,256 5,257 1,259 1,261 1,264 9,268 1,269 2,272 1,277 11,278 1,281 987,282 16.739,283 16.739,284 16.739,285 16.739,286 16.739,287 15.847,288 18.47,289 9.867,290 17.057,291 13.265,292 13.265,293 13.265,294 13.265,295 13.265,296 11.835,297 25.238,298 4.556,299 13.799,300 4.095,301 2.858,302 1.689,303 0.822,304 0.822,305 0.822,306 3.929,310 1,311 1,312 1,313 535,314 4.301,315 54.449,317 164.3,325 1.504,326 33.511,328 1,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 54.5,338 253,339 4.568,340 4.026,341 7.627,342 4.505,343 3.503,344 3.785,345 2.341,346 13.9,347 3.509,348 4.127,349 3.711,350 5.905,351 3.76,352 2.824,353 3.616,354 1.907,355 8.238,356 2.7,357 3.837,358 2.966,359 5.757,360 3.657,361 2.655,362 2.995,363 0.149,364 8.052,365 2.646,366 3.644,367 2.751,368 5.454,369 3.462,370 2.544,371 2.699,373 7.286,374 2.265,375 3.21,376 2.532,377 4.984,378 2.906,379 1.963,380 2.321,382 5.699,383 1.846,384 2.884,385 2.037,386 4.599,387 2.544,388 1.57,389 1.904,391 4.079,392 1.505,393 2.654,394 2.016,395 3.962,396 2.438,397 1.432,398 1.607,400 3.132,401 1.421,402 2.288,403 1.369,404 3.618,405 2.185,406 1.182,407 1.262,409 2.605,410 1.177,411 2.207,412 1.016,413 3.586,414 1.75,415 0.765,416 1.068,418 1.767,419 0.743,420 1.845,421 0.852,422 3.303,423 1.647,424 0.705,425 0.776,427 1.464,428 0.65,429 1.618,430 0.618,431 3.155,432 1.618,433 0.618,434 0.618,436 1.36,437 0.618,438 1.34,439 0.445,440 3,441 1.166,442 0.226,443 0.246,445 0.588,446 0.209,447 0.974,448 0.407,449 2.763,450 0.675,451 -0.321,452 -0.324,454 -0.626,455 -0.318,456 0.682,457 0.199,458 2.467,459 0.56,460 -0.398,461 -0.49,463 -1.04,464 -0.376,465 0.472,466 -0.295,467 2,468 0.105,469 -0.905,470 -0.932,472 -2,473 -0.87,474 12.033,475 0.481,476 0.651,477 0.026,478 22.75,479 0.91,480 7.5,481 0.3,482 15.25,483 0.61,484 29.784,485 1.191,486 29.367,487 0.565,488 13.714,489 0.549,490 3.145,491 0.126,492 8.876,493 0.355,494 0.125,495 0.042,496 0.249,501 0.683,502 1.221,503 0.83,504 1.071,505 0.596,506 1.075,507 0.337,508 1.32,509 0.809,510 1.21,511 0.366,512 1.168,513 0.759,514 1.136,515 0.93,516 1.104,517 0.79,518 1.061,519 1.343,520 0.917,521 0.904,522 0.823,523 1.437,524 0.844,525 1.355,526 1.094,527 1.117,528 1.05,529 1.347,530 0.969,531 1.554,532 1.058,533 1.363,534 1.092,535 1.54,536 1.033,537 1.604,538 0.952,539 1.389,540 1.017,541 1.495,542 1.038,543 0.845,544 0.937,545 0.99,546 1.023,547 0.877,548 0.971,549 6.5,550 0.066,551 2.944,552 1.847,553 1.495,554 0.809,555 0.541,556 0.281,557 0.235,558 0.143,559 6902,560 16615,561 2.028,562 51.9,563 22,567 2,568 3,572 1.684,573 1.887,574 3.287,575 0.312,577 1,582 83.472,583 1.605,584 2.842,585 4.012,586 4.878,587 4.878,588 4.878,589 2.744,590 4.134,591 4.612,592 3.464,593 1039.17,594 7.996,595 12641.6,597 1,599 1,600 296.423,601 1.571,602 4.56,603 0.241,604 0.005,605 0.084,606 0.054,607 0.04,608 0.021,609 0.016,610 0.012,611 0.011,612 0.008,613 0.492,614 0.17,615 1,616 1.458,617 120.445,618 -0.004,619 0.08,620 0.058,621 0.085,622 0.01,623 0.052,624 0.279,625 -0.173,626 0.117,627 -0.107,628 0.198,629 -0.083,630 0.022,631 -0.139,632 0.01,633 -0.095,634 -0.006,635 -0.044,636 -0.105,637 0.048,638 0.081,639 0.111,640 -0.131,641 0.1,642 -0.114,643 -0.047,644 -0.034,645 -0.027,646 -0.073,647 -0.001,648 -0.029,649 -0.03,650 -0.167,651 -0.048,652 0.027,653 -0.097,654 -0.324,655 0.062,656 -0.265,657 -0.019,658 -0.226,659 -0.106,660 0.082,661 0.042,662 0.056,663 -0.029,664 0.027,665 -0.001,666 2.455,667 5.978,668 0.52,669 21.658,670 0.999,671 1.135,672 3.183,673 10.132,674 0.638,675 3.332,676 3.664,677 3.85,678 4.06,679 4.143,680 4.174,681 4.19,682 4.174,683 4.06,684 4.078,685 6.038,686 0.591,687 365.55,688 3.332,689 4.875,690 5.72,691 6.605,692 7.475,693 8.363,694 9.241,695 10.13,696 11.013,697 11.903,698 5.8,705 1,708 2,716 2,719 1,720 2,722 5,741 52,743 7,745 27,747 54,748 18,749 2,756 3,757 3,763 1,764 1,766 1,767 6,768 1,770 10,772 4,773 14,774 2,777 2,782 2,786 2,790 1,793 27,794 6,795 2,796 7,797 1,802 3,808 1,809 3,826 1,828 2,843 1,845 1,857 1,859 3,862 1,864 1,868 25,875 1,876 10,877 1,880 2,882 1,893 5.8,895 1,896 2,901 13.25,902 9.267,903 5.569,904 3.711,907 0.917,908 1.14,909 0.906,910 6.088,911 7.475,912 3.481,913 3.937,914 4.275,915 4.664,916 4.797,917 4.982,918 5.174,919 5.216,920 5.195,921 5.299,922 0.857,923 34,924 9.411,926 4.131,927 0.026,929 7.817,931 18.287,933 15.887,936 2.317,937 57.917,939 1,940 1,941 294.278,942 72.493,943 51.337,945 92.973,947 31.278,948 41.215,949 387.251,950 51.337,951 8.825,952 43.356,954 132.843,955 0.501,957 325.555,959 294.278,960 92.552,961 92.973,962 31.278,964 294.278,965 92.973,968 53.612,969 5.615,970 33.326,971 31.278,972 294.278,973 144.31,974 72.493,977 294.278,978 63.668,979 8.825,980 18.011,981 126.299,982 294.278,983 144.31,984 72.493,986 0.579,987 0.32,988 0.169,989 0.086,990 18,991 8,992 0.167,993 9,995 1,996 3.71,997 200.829,999 13,1000 110.096,1001 1,1005 18.756,1006 8.115,1007 4.997,1009 144.31,1011 8.287,1014 1.452,1015 1.53,1017 60.694,1018 511.081,1019 31.5,1024 24.538,1028 -0.856,1031 51.967,1032 59.026,1034 0.282,1035 0.499,1036 0.704,1037 0.856,1038 0.856,1039 0.856,1040 4.756,1041 1.182,1042 5.74,1043 3.132,1044 4.344,1045 4.62,1046 2.748,1047 6.603,1048 4.278,1049 5.942,1050 0.765,1051 7.344,1052 2.605,1053 4.205,1054 4.543,1055 2.591,1056 7.976,1057 4.134,1058 7.259,1059 0.705,1060 9.07,1061 1.767,1062 6.052,1063 6.605,1064 4.005,1065 10.995,1066 5.951,1067 8.609,1068 0.618,1069 10.874,1070 1.464,1071 6.723,1072 7.314,1073 4.392,1074 13.24,1075 6.639,1076 9.994,1077 0.226,1078 12.734,1079 1.36,1080 8.119,1081 8.91,1082 5.469,1083 15.937,1084 8.022,1085 11.401,1086 -0.321,1087 14.635,1088 0.588,1089 9.118,1090 9.943,1091 6.092,1092 18.46,1093 9.044,1094 12.826,1095 -0.398,1096 16.567,1097 -0.626,1098 10.381,1099 11.371,1100 7.032,1101 21.1,1102 10.307,1103 3.503,1104 -0.905,1105 18.522,1106 -1.04,1107 11.516,1108 12.55,1109 7.767,1110 23.701,1111 11.462,1112 2.824,1113 13.9,1114 20.497,1115 -2,1116 12.747,1117 13.911,1118 8.649,1119 26.333,1120 12.7,1121 2.655,1122 8.238,1123 22.485,1124 3.785,1125 13.941,1126 15.158,1127 9.44,1128 28.956,1129 13.909,1130 2.544,1131 8.052,1132 24.483,1133 3.616,1134 15.171,1135 16.492,1136 10.299,1137 31.587,1138 15.147,1139 1.963,1140 7.286,1141 26.49,1142 2.995,1143 16.393,1144 17.773,1145 11.117,1146 34.216,1147 16.379,1148 1.57,1149 5.699,1150 28.503,1151 2.699,1152 17.628,1153 19.096,1154 11.967,1155 36.848,1156 17.623,1157 1.432,1158 4.079,1159 30.52,1160 2.321,1161 18.863,1162 20.394,1163 12.8,1164 39.479,1165 18.866,1166 6776,1167 10649,1168 17.682,1169 33.165,1170 40.444,1171 41.308,1172 42.345,1173 39.985,1174 39.974,1175 45.797,1176 8.794,1177 116.338,1178 38.58,1179 5.537,1180 5.98,1181 7.39,1182 5.639,1183 5.503,1184 6.403,1185 3.925,1186 21.295,1187 5.479,1188 12.581,1189 1.498,1190 1.53,1191 1.568,1192 1.481,1193 1.481,1194 1.696,1195 0.326,1196 4.309,1197 1.429,1198 4.001,1199 4.042,1200 4.23,1201 3.911,1202 7.474,1203 3.889,1204 3.922,1205 3.968,1206 3.858,1207 3.838,1208 7.428,1209 3.818,1210 3.717,1211 3.765,1212 3.722,1213 3.622,1214 6.351,1215 3.572,1216 3.682,1217 3.731,1218 3.578,1219 3.566,1220 5.007,1221 3.545,1222 3.393,1223 3.451,1224 3.224,1225 3.2,1226 4.285,1227 3.19,1228 3.266,1229 3.3,1230 3.198,1231 3.014,1232 4.262,1233 3.046,1234 2.966,1235 3.016,1236 2.804,1237 2.698,1238 4.112,1239 2.706,1240 2.869,1241 2.979,1242 2.631,1243 2.671,1244 3.815,1245 2.635,1246 0.169,1247 0.149,1248 0.282,1249 0.167,1250 0.13,1251 4.568,1252 0.14,1253 4.026,1254 0.087,1255 7.627,1256 0.515,1257 4.505,1258 0.13,1259 3.503,1260 3.785,1261 2.341,1262 13.9,1263 3.509,1264 1.842,1265 1.806,1266 2.028,1267 1.987,1268 1.424,1269 1.999,1270 1.625,1271 1.577,1272 1.86,1273 1.806,1274 1.211,1275 1.824,1276 1.577,1277 1.519,1278 1.86,1279 1.751,1280 1.181,1281 1.793,1282 1.555,1283 1.507,1284 1.725,1285 1.685,1286 1.122,1287 1.714,1288 1.322,1289 1.27,1290 1.577,1291 1.587,1292 0.825,1293 1.576,1294 1.223,1295 1.175,1296 1.513,1297 1.475,1298 0.807,1299 1.462,1300 1.153,1301 1.064,1302 1.305,1303 1.376,1304 0.483,1305 1.429,1306 0.899,1307 0.841,1308 1.203,1309 1.172,1310 0.411,1311 1.149,1312 4.007,1313 1.946,1314 5.333,1315 4.111,1316 6.836,1317 6.043,1318 8.425,1319 7.883,1320 10.062,1322 1.986,1327 9.492,1328 8.83,1329 2.938,1332 0.289,1334 -0.569,1340 30.717,1341 83.472,1342 147.797,1343 208.609,1344 253.668,1345 253.668,1346 253.668,1347 66.861,1348 6.558,1349 92.18,1350 120.42,1351 13,1352 12.434,1353 3,1354 2.459,1355 41.637,1356 87,1357 95,1358 0.228,1359 193.045,1360 339.3,1361 462.791,1362 4927,1364 17.864,1365 0.715,1366 0.624,1367 18.217,1368 15.609,1369 12.021,1370 0.445,1371 0.378,1372 9.372,1373 11.185,1374 9.096,1375 7.535,1376 12.429,1377 10.205,1378 10.927,1379 0.288,1380 0.228,1381 11.623,1382 8.68,1383 8.327,1384 0.181,1385 0.132,1386 9.031,1387 6.086,1388 6.605,1389 0.116,1390 0.081,1391 7.416,1392 4.625,1393 4.744,1394 0.077,1395 0.047,1396 5.359,1397 2.936,1398 0.354,1399 79.256,1400 0.238,1401 24.285,1402 0.637,1403 130,1404 362.104,1405 169.485,1406 365.76,1407 484.14,1408 338,1409 152,1410 330.761,1411 184.187,1412 345.953,1413 504.38,1414 325,1415 5.523}
{0 CHEMBL212526,1 1.381,2 9.407,3 3.77,4 14.212,5 103.637,6 6.44,7 0.207,8 4.121,9 4.244,10 3.536,11 3.646,12 5.127,13 3.593,14 4.728,15 4.909,16 3.939,17 4.117,18 5.706,19 4.025,20 5.111,21 5.341,22 4.042,23 4.306,24 6.004,25 4.181,26 5.273,27 5.53,28 4.062,29 4.306,30 6.249,31 4.188,32 5.193,33 5.425,34 4.121,35 4.279,36 6.313,37 4.187,38 5.247,39 5.466,40 4.106,41 4.327,42 6.432,43 4.214,44 5.32,45 5.6,46 3.827,47 4.296,48 6.211,49 4.115,50 5.114,51 5.408,52 3.664,53 4.115,54 5.936,55 3.929,56 0.062,57 0.781,58 13.883,59 6.14,60 12.055,61 8.248,62 0.266,63 1.341,64 25.783,65 10.775,66 55.19,67 15.002,68 0.312,69 1.798,70 38.352,71 14.056,72 51.366,73 20.367,74 0.6,75 1.89,76 46.381,77 14.767,78 106.771,79 21.499,80 0.605,81 1.785,82 42.954,83 13.88,84 118.775,85 19.868,86 0.846,87 1.854,88 45.54,89 15.147,90 158.89,91 21.264,92 0.659,93 1.888,94 48.205,95 16.148,96 121.378,97 23.346,98 0.415,99 1.562,100 38.626,101 13.572,102 72.737,103 19.795,104 38,105 42,106 0.229,107 0.533,108 0.721,109 0.822,110 0.822,111 0.822,112 3.341,113 1.052,114 -4.11,115 -4.05,116 -3.84,121 37.9,122 1,123 9,124 1,125 1,127 1,132 1,144 4,145 2,160 2,170 1,174 1,176 18,177 1,180 2,183 2,185 4,187 22,188 2,192 5,196 1,197 9,200 14,201 2,206 7,211 9,214 10,215 3,219 6,220 1,222 1,224 9,225 1,227 13,228 2,231 1,232 5,235 2,236 1,237 8,239 18,244 3,249 4,251 18,252 2,256 2,261 3,262 1,264 16,265 2,269 2,272 1,273 1,274 3,277 12,278 2,281 1096,282 18.06,283 18.06,284 18.06,285 18.06,286 18.06,287 17.009,288 17.768,289 10.46,290 18.109,291 14.136,292 14.136,293 14.136,294 14.136,295 14.136,296 12.541,297 23.522,298 4.688,299 14.222,300 4.477,301 2.65,302 1.518,303 0.91,304 0.91,305 0.91,306 4.014,311 1,312 1,313 532,314 4.583,317 146.602,318 84.736,321 124.432,325 1.385,326 39.077,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 58.5,338 254,339 4.618,340 4.049,341 7.641,342 4.545,343 3.551,344 3.915,345 2.341,346 13.974,347 3.533,348 4.456,349 3.717,350 7.259,351 4.362,352 3.373,353 3.671,354 1.907,355 12.917,356 3.327,357 3.913,358 3.567,359 6.024,360 3.659,361 2.657,362 3.129,363 0.149,364 8.595,365 2.649,366 3.824,367 2.808,368 5.901,369 3.589,370 2.597,371 2.981,373 8.055,374 2.571,375 3.004,376 2.639,377 4.871,378 2.722,379 1.703,380 2.071,382 4.541,383 1.723,384 2.879,385 2.024,386 4.532,387 2.532,388 1.532,389 2.012,391 4.397,392 1.532,393 2.86,394 1.821,395 3.962,396 2.443,397 1.437,398 1.954,400 3.136,401 1.43,402 2.654,403 1.482,404 3.672,405 2.412,406 1.413,407 1.607,409 3.001,410 1.41,411 2.285,412 1.369,413 3.618,414 2.215,415 1.208,416 1.261,418 2.628,419 1.211,420 1.846,421 1.152,422 3.613,423 1.743,424 0.739,425 0.781,427 1.464,428 0.735,429 1.618,430 1.016,431 3.441,432 1.618,433 0.618,434 0.618,436 1.373,437 0.618,438 1.569,439 0.618,440 3.376,441 1.347,442 0.453,443 0.463,445 0.897,446 0.39,447 1.489,448 0.547,449 3.347,450 1.327,451 0.347,452 0.412,454 0.637,455 0.347,456 0.981,457 0.474,458 3.011,459 0.697,460 -0.301,461 -0.316,463 -0.622,464 -0.298,465 0.683,466 0.414,467 2.47,468 0.663,469 -0.344,470 -0.386,472 -0.932,473 -0.345,474 12.733,475 0.472,476 0.738,477 0.027,478 25,479 0.926,480 9,481 0.333,482 16,483 0.593,484 32.859,485 1.217,486 31.667,487 0.546,488 18.32,489 0.679,490 4.089,491 0.151,492 8.845,493 0.328,494 0.144,495 0.079,496 0.196,501 0.784,502 1.214,503 0.959,504 1.153,505 0.706,506 1.091,507 0.473,508 1.214,509 0.913,510 1.16,511 0.472,512 1.115,513 0.732,514 1.256,515 1.026,516 1.211,517 0.716,518 1.165,519 1.294,520 0.957,521 1.012,522 0.905,523 1.308,524 0.908,525 1.299,526 1.027,527 1.02,528 0.981,529 1.348,530 0.954,531 1.284,532 1.085,533 1.171,534 1.112,535 1.298,536 1.124,537 1.165,538 0.882,539 1.056,540 0.912,541 1.143,542 0.962,543 0.809,544 0.868,545 0.887,546 0.907,547 0.813,548 0.909,549 7.5,550 0.086,551 3.778,552 2.639,553 2.152,554 1.024,555 0.867,556 0.466,557 0.243,558 0.189,559 7555,560 17846,561 1.996,562 53.4,563 17,564 6,567 3,568 1,569 4,572 1.708,573 1.841,574 3.218,575 0.872,577 1,582 80.075,583 1.381,584 3.208,585 4.34,586 4.948,587 4.948,588 4.948,589 2.672,590 4.088,591 4.728,592 3.361,593 1179.57,594 8.245,595 14758,597 1,599 1,600 339.763,601 1.65,602 4.655,603 0.259,604 0.007,605 0.09,606 0.061,607 0.05,608 0.022,609 0.02,610 0.015,611 0.009,612 0.009,613 0.541,614 0.33,615 1,616 1.507,617 131.442,618 -0.072,619 0.081,620 0.009,621 0.095,622 -0.048,623 0.069,624 0.15,625 -0.03,626 0.031,628 0.115,629 -0.006,630 0.011,631 -0.164,632 -0.068,633 -0.167,634 -0.016,635 -0.135,636 -0.121,637 0.022,638 0.004,639 0.038,640 -0.131,641 0.042,642 -0.047,643 -0.011,644 0.011,645 -0.008,646 -0.018,647 0.011,648 0.034,649 -0.075,650 -0.135,651 -0.121,652 0.056,653 -0.151,654 -0.123,655 0.033,656 -0.072,657 0.026,658 -0.102,659 -0.01,660 -0.016,661 0.049,662 0.06,663 0.043,664 -0.037,665 0.062,666 2.471,667 6.386,668 0.519,669 21.726,670 0.994,671 1.13,672 2.879,673 8.287,674 0.625,675 3.401,676 3.761,677 4.043,678 4.304,679 4.489,680 4.511,681 4.543,682 4.625,683 4.466,684 4.431,685 5.766,686 0.582,687 373.54,688 3.401,689 4.963,690 5.826,691 6.737,692 7.63,693 8.547,694 9.45,695 10.369,696 11.278,697 12.197,698 1.7,705 1,715 4,720 2,722 6,741 58,743 8,744 1,745 29,747 60,748 22,749 6,750 2,751 4,756 3,757 4,763 2,764 1,766 1,767 6,768 1,770 9,772 8,773 14,774 2,777 2,782 2,786 2,790 1,793 31,794 5,795 3,796 5,802 1,808 0.667,809 4,810 1,828 2,829 1,832 1,843 1,845 1,857 2,859 2,864 1,868 27,875 2,876 10,877 1,880 1,882 2,893 6.9,894 1,895 1,896 2,901 14.667,902 10.15,903 6.097,904 3.9,907 1.157,908 1.167,909 0.883,910 6.149,911 8.066,912 3.555,913 4.034,914 4.44,915 4.851,916 5.233,917 5.288,918 5.473,919 5.732,920 5.622,921 5.739,922 1,923 43,924 10.207,926 4.537,927 0.026,929 7.87,931 19.659,933 17.155,936 2.37,937 64,939 1,940 1,941 329.591,942 81.527,943 18.011,945 135.657,948 81.527,949 465.247,950 18.011,951 8.825,952 40.822,953 80.588,954 98.588,955 6.371,957 329.591,959 329.591,960 99.537,961 135.657,964 282.506,965 140.058,966 42.683,968 49.647,969 49.891,972 329.591,973 153.667,974 81.527,977 329.591,978 34.796,979 46.73,980 18.011,981 135.657,982 329.591,983 153.667,984 81.527,986 0.58,987 0.354,988 0.192,989 0.106,990 20,991 9,992 0.133,993 8,994 1,995 1.143,996 3.658,997 234.762,998 0.143,999 14,1000 116.382,1005 20.196,1006 8.22,1007 4.158,1009 153.667,1010 8.057,1015 2.337,1017 103.377,1018 564.785,1019 34,1024 25.068,1028 -0.87,1031 57.665,1032 65.564,1034 0.236,1035 0.548,1036 0.741,1037 0.845,1038 0.845,1039 0.845,1040 4.848,1041 1.413,1042 5.883,1043 3.136,1044 4.443,1045 4.718,1046 2.748,1047 6.821,1048 4.43,1049 6.05,1050 1.208,1051 7.535,1052 3.001,1053 4.369,1054 4.663,1055 2.591,1056 8.363,1057 4.35,1058 7.394,1059 0.739,1060 9.312,1061 2.628,1062 6.24,1063 6.753,1064 4.005,1065 11.399,1066 6.211,1067 8.775,1068 0.618,1069 11.166,1070 1.464,1071 7.004,1072 7.472,1073 4.392,1074 13.706,1075 6.964,1076 10.192,1077 0.453,1078 13.069,1079 1.373,1080 8.421,1081 9.117,1082 5.469,1083 16.405,1084 8.374,1085 11.631,1086 0.347,1087 15.004,1088 0.897,1089 9.491,1090 10.145,1091 6.092,1092 18.929,1093 9.435,1094 13.086,1095 -0.301,1096 16.961,1097 0.637,1098 10.778,1099 11.634,1100 7.032,1101 21.557,1102 10.713,1103 3.551,1104 -0.344,1105 18.933,1106 -0.622,1107 11.958,1108 12.802,1109 7.767,1110 24.143,1111 11.885,1112 3.373,1113 13.974,1114 20.916,1115 -0.932,1116 13.209,1117 14.226,1118 8.649,1119 26.758,1120 13.13,1121 2.657,1122 12.917,1123 22.907,1124 3.915,1125 14.43,1126 15.466,1127 9.44,1128 29.364,1129 14.343,1130 2.597,1131 8.595,1132 24.903,1133 3.671,1134 15.675,1135 16.856,1136 10.299,1137 31.979,1138 15.581,1139 1.703,1140 8.055,1141 26.905,1142 3.129,1143 16.911,1144 18.138,1145 11.117,1146 34.593,1147 16.811,1148 1.532,1149 4.541,1150 28.91,1151 2.981,1152 18.157,1153 19.512,1154 11.967,1155 37.209,1156 18.051,1157 1.437,1158 4.397,1159 30.918,1160 2.071,1161 19.402,1162 20.819,1163 12.8,1164 39.827,1165 19.289,1166 7545,1167 11645,1168 18.663,1169 36.245,1170 43.547,1171 45.005,1172 47.433,1173 43.203,1174 43.257,1175 49.751,1176 8.794,1177 131.232,1178 42.953,1179 5.607,1180 6.049,1181 7.403,1182 5.587,1183 5.551,1184 6.915,1185 3.925,1186 21.643,1187 5.533,1188 14.682,1189 1.502,1190 1.552,1191 1.636,1192 1.49,1193 1.492,1194 1.716,1195 0.303,1196 4.525,1197 1.481,1198 4.059,1199 4.092,1200 3.988,1201 3.985,1202 7.474,1203 3.98,1204 3.941,1205 3.978,1206 3.847,1207 3.853,1208 7.428,1209 3.845,1210 3.708,1211 3.759,1212 3.585,1213 3.57,1214 6.456,1215 3.56,1216 3.575,1217 3.624,1218 3.466,1219 3.435,1220 6.351,1221 3.435,1222 3.391,1223 3.449,1224 3.22,1225 3.198,1226 4.75,1227 3.188,1228 3.226,1229 3.253,1230 3.125,1231 2.98,1232 4.296,1233 3.01,1234 3.037,1235 3.096,1236 2.858,1237 2.847,1238 4.125,1239 2.827,1240 2.964,1241 3.036,1242 2.8,1243 2.794,1244 4.1,1245 2.798,1246 0.159,1247 0.14,1248 0.263,1249 0.157,1250 0.122,1251 4.618,1252 0.135,1253 4.049,1254 0.081,1255 7.641,1256 0.482,1257 4.545,1258 0.122,1259 3.551,1260 3.915,1261 2.341,1262 13.974,1263 3.533,1264 1.896,1265 1.871,1266 2.031,1267 1.998,1268 1.426,1269 2.006,1270 1.849,1271 1.812,1272 2.012,1273 1.964,1274 1.24,1275 1.982,1276 1.691,1277 1.643,1278 1.892,1279 1.878,1280 1.211,1281 1.884,1282 1.578,1283 1.523,1284 1.86,1285 1.751,1286 1.172,1287 1.793,1288 1.577,1289 1.507,1290 1.818,1291 1.743,1292 1.171,1293 1.772,1294 1.297,1295 1.247,1296 1.572,1297 1.556,1298 0.807,1299 1.55,1300 1.067,1301 1.007,1302 1.348,1303 1.286,1304 0.528,1305 1.283,1306 0.961,1307 0.896,1308 1.304,1309 1.233,1310 0.449,1311 1.276,1312 4.078,1314 5.425,1315 3.045,1316 6.973,1317 5.416,1318 8.611,1319 7.545,1320 10.297,1322 1.98,1327 19.698,1328 6.318,1329 3.176,1332 -0.482,1334 -1.283,1340 33.783,1341 80.075,1342 186.072,1343 251.705,1344 287.008,1345 287.008,1346 287.008,1347 84.587,1348 6.909,1349 86.63,1350 86.63,1351 16,1352 12.708,1353 3.17,1354 2.585,1355 46.634,1356 92,1357 94,1358 0.249,1359 207.764,1360 374.14,1361 498.704,1362 7482,1364 19.493,1365 0.722,1366 0.599,1367 19.493,1368 16.169,1369 12.934,1370 0.446,1371 0.351,1372 10.085,1373 12.592,1374 9.821,1375 8.133,1376 12.934,1377 10.166,1378 11.738,1379 0.279,1380 0.203,1381 11.738,1382 8.53,1383 9.862,1384 0.176,1385 0.116,1386 9.862,1387 6.523,1388 8.025,1389 0.11,1390 0.069,1391 8.025,1392 5.016,1393 6.37,1394 0.072,1395 0.038,1396 6.37,1397 3.338,1398 0.38,1399 80.425,1400 0.231,1401 25.374,1402 0.721,1403 142,1404 362.103,1405 152.469,1406 346.434,1407 454.64,1408 320,1409 169,1410 313.072,1411 178.862,1412 318.938,1413 466.62,1414 299,1415 5.523}
{0 CHEMBL212572,1 1.635,2 9.217,3 3.423,4 11.718,5 90.796,6 7.073,7 0.208,8 3.934,9 4.062,10 3.481,11 3.457,12 4.977,13 3.387,14 4.521,15 4.714,16 3.895,17 3.877,18 5.546,19 3.767,20 4.836,21 5.078,22 3.84,23 3.997,24 5.745,25 3.854,26 4.928,27 5.169,28 3.896,29 3.989,30 5.986,31 3.88,32 4.881,33 5.112,34 3.958,35 3.987,36 5.987,37 3.888,38 4.925,39 5.146,40 3.942,41 3.988,42 6.193,43 3.861,44 4.822,45 5.077,46 3.588,47 3.852,48 5.846,49 3.68,50 4.574,51 4.845,52 3.451,53 3.614,54 5.56,55 3.428,56 0.06,57 0.7,58 11.716,59 5.012,60 9.566,61 6.519,62 0.276,63 1.135,64 23.553,65 8.164,66 48.843,67 11.648,68 0.272,69 1.33,70 32.991,71 10.989,72 46.974,73 15.045,74 0.605,75 1.357,76 37.744,77 10.334,78 96.525,79 14.432,80 0.439,81 1.33,82 33.238,83 10.056,84 72.641,85 14.033,86 0.865,87 1.353,88 40.543,89 10.832,90 144.764,91 14.152,92 0.556,93 1.209,94 35.826,95 9.574,96 84.754,97 13.08,98 0.474,99 0.944,100 28.247,101 7.636,102 61.538,103 10.755,104 38,105 33,106 0.285,107 0.502,108 0.701,109 0.837,110 0.837,111 0.837,112 3.188,113 1.148,114 -3.93,115 -3.89,116 -3.69,121 33.3,122 2,123 8,124 1,125 1,160 2,163 1,164 1,168 1,170 1,174 1,176 11,177 1,180 5,183 3,185 3,187 12,188 2,192 7,195 1,197 5,200 8,201 2,205 1,206 8,211 6,214 7,215 3,218 1,219 8,220 1,224 5,225 1,227 8,228 2,231 1,232 10,235 2,236 1,237 3,239 8,244 6,245 1,249 1,251 7,252 1,255 1,256 3,257 1,259 1,261 1,264 7,268 1,269 2,272 1,277 5,278 1,281 803,282 15.3,283 15.3,284 15.3,285 15.3,286 15.3,287 14.408,288 18.47,289 9.041,290 15.618,291 11.693,292 11.693,293 11.693,294 11.693,295 11.693,296 10.23,297 25.238,298 4.044,299 12.245,300 3.95,301 2.702,302 1.559,303 0.781,304 0.781,305 0.781,306 3.841,310 1,311 1,312 1,313 428,314 4.243,317 150.694,325 1.376,326 32.301,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 50.5,338 212,339 4.568,340 4.026,341 7.627,342 4.505,343 3.503,344 3.78,345 2.341,346 13.9,347 3.509,348 4.103,349 3.711,350 5.905,351 3.664,352 2.734,353 3.613,354 1.907,355 8.097,356 2.647,357 3.835,358 2.895,359 5.658,360 3.576,361 2.642,362 2.994,363 0.149,364 7.865,365 2.333,366 3.284,367 2.697,368 5.045,369 2.97,370 2.037,371 2.44,373 5.853,374 1.898,375 2.91,376 2.144,377 4.617,378 2.576,379 1.593,380 1.927,382 4.082,383 1.542,384 2.654,385 2.023,386 3.962,387 2.439,388 1.433,389 1.607,391 3.132,392 1.424,393 2.291,394 1.369,395 3.618,396 2.194,397 1.189,398 1.266,400 2.604,401 1.187,402 2.214,403 1.016,404 3.585,405 1.758,406 0.78,407 1.082,409 1.756,410 0.753,411 1.845,412 0.893,413 3.292,414 1.67,415 0.709,416 0.776,418 1.464,419 0.669,420 1.618,421 0.618,422 3.144,423 1.618,424 0.618,425 0.618,427 1.36,428 0.618,429 1.498,430 0.466,431 2.855,432 1.245,433 0.336,434 0.382,436 0.492,437 0.299,438 0.973,439 0.424,440 2.508,441 0.675,442 -0.322,443 -0.324,445 -0.626,446 -0.32,447 0.682,448 0.252,449 2.464,450 0.547,451 -0.414,452 -0.519,454 -1.046,455 -0.391,456 0.472,457 -0.296,458 1.857,459 0.105,460 -0.924,461 -0.935,463 -2,464 -0.891,465 0.132,466 -0.604,467 1.572,468 -0.026,469 -1,470 -1.308,472 -2.097,473 -1.002,474 11.033,475 0.48,476 0.583,477 0.025,478 21.25,479 0.924,480 7.5,481 0.326,482 13.75,483 0.598,484 26.841,485 1.167,486 27.367,487 0.57,488 13.294,489 0.578,490 3.145,491 0.137,492 7.858,493 0.342,494 0.181,495 0.045,496 0.227,501 0.697,502 1.271,503 0.837,504 1.101,505 0.622,506 1.106,507 0.332,508 1.29,509 0.755,510 1.162,511 0.375,512 1.102,513 0.769,514 1.157,515 0.93,516 1.117,517 0.798,518 1.068,519 1.387,520 0.944,521 1.029,522 0.918,523 1.459,524 0.923,525 1.266,526 1.022,527 0.838,528 0.884,529 1.301,530 0.946,531 1.483,532 1.008,533 1.339,534 1.083,535 1.492,536 1.02,537 1.473,538 0.974,539 1.335,540 1.037,541 1.405,542 1.049,543 0.894,544 0.938,545 1.059,546 1.036,547 0.912,548 1.026,549 6,550 0.07,551 2.889,552 1.819,553 1.53,554 0.753,555 0.567,556 0.26,557 0.161,558 0.159,559 4778,560 13177,561 1.936,562 52.1,563 20,567 2,568 3,572 1.663,573 1.781,574 3.158,575 0.364,577 1,582 78.472,583 1.635,584 2.883,585 4.026,586 4.804,587 4.804,588 4.804,589 2.682,590 4.056,591 4.492,592 3.296,593 833.852,594 7.768,595 9461.07,597 1,599 1,600 268.078,601 1.644,602 4.423,603 0.25,604 0.01,605 0.088,606 0.057,607 0.046,608 0.022,609 0.018,610 0.012,611 0.009,612 0.012,613 0.523,614 0.33,615 1,616 1.649,617 106.736,618 -0.009,619 0.051,620 0.051,621 0.067,622 -0.008,623 0.03,624 0.292,625 -0.131,626 0.174,627 -0.05,628 0.198,629 -0.01,630 0.015,631 -0.147,632 0.008,633 -0.1,634 -0.008,635 -0.045,636 -0.152,637 0.033,638 -0.05,639 0.018,640 -0.155,641 0.022,642 -0.091,643 -0.032,644 0.046,645 0.018,646 -0.067,647 0.01,648 -0.025,649 0.004,650 -0.152,651 -0.023,652 0.022,653 -0.072,654 -0.282,655 0.009,656 -0.234,657 -0.033,658 -0.198,659 -0.105,660 0.031,661 0.035,662 -0.013,663 -0.044,664 -0.009,665 -0.061,666 2.463,667 5.831,668 0.435,669 17.822,670 1.002,671 1.138,672 2.702,673 7.302,674 0.633,675 3.219,676 3.526,677 3.761,678 3.951,679 4.007,680 4.007,681 3.951,682 3.932,683 3.738,684 3.611,685 5.461,686 0.587,687 339.51,688 3.219,689 4.745,690 5.58,691 6.457,692 7.322,693 8.205,694 9.081,695 9.967,696 10.849,697 11.737,698 6.3,705 1,708 2,716 2,719 1,720 2,722 5,741 48,743 7,745 24,747 49,748 16,749 2,756 2,757 2,763 2,764 1,766 1,767 4,770 8,772 4,773 12,774 1,777 2,782 2,786 2,789 1,790 1,793 25,794 6,795 2,796 7,797 1,802 3,808 1,809 3,828 2,843 1,845 1,857 1,859 2,862 1,864 2,868 23,875 1,876 8,877 1,880 1,882 1,893 6.3,895 1,896 2,901 12.917,902 8.933,903 5.319,904 3.461,907 0.844,908 1.136,909 0.883,910 6.518,911 7.052,912 3.384,913 3.834,914 4.218,915 4.586,916 4.665,917 4.777,918 4.845,919 4.886,920 4.839,921 4.888,922 1,923 32,924 8.629,926 3.679,927 0.026,929 7.917,931 16.495,933 13.676,936 2.417,937 55.583,940 1,941 270.735,942 76.249,943 51.337,945 92.973,947 31.278,948 44.972,949 363.709,950 51.337,951 17.65,952 38.287,954 132.843,955 0.501,957 302.013,959 270.735,960 96.308,961 92.973,962 31.278,964 270.735,965 92.973,968 57.368,969 5.615,970 33.326,971 31.278,972 270.735,973 144.31,974 76.249,977 270.735,978 58.599,979 17.65,980 18.011,981 126.299,982 270.735,983 144.31,984 76.249,986 0.57,987 0.341,988 0.178,989 0.091,990 14,991 7,992 0.163,993 8,995 1,996 3.367,997 174.753,999 10,1000 100.042,1001 1,1005 18.315,1006 8.185,1007 4.498,1009 144.31,1011 8.016,1014 1.384,1015 1.399,1017 60.694,1018 491.295,1019 28.5,1024 24.322,1028 -0.883,1031 48.083,1032 54.61,1034 0.293,1035 0.516,1036 0.721,1037 0.86,1038 0.86,1039 0.86,1040 4.637,1041 0.78,1042 5.602,1043 2.604,1044 4.205,1045 4.516,1046 2.748,1047 6.472,1048 4.128,1049 5.817,1050 0.709,1051 7.213,1052 1.756,1053 4.007,1054 4.407,1055 2.591,1056 7.879,1057 3.92,1058 7.133,1059 0.618,1060 8.949,1061 1.464,1062 5.905,1063 6.523,1064 4.005,1065 10.921,1066 5.787,1067 8.489,1068 0.336,1069 10.768,1070 1.36,1071 6.581,1072 7.238,1073 4.392,1074 13.201,1075 6.484,1076 9.882,1077 -0.322,1078 12.644,1079 0.492,1080 7.995,1081 8.853,1082 5.469,1083 15.908,1084 7.885,1085 11.3,1086 -0.414,1087 14.561,1088 -0.626,1089 9.014,1090 9.897,1091 6.092,1092 18.445,1093 8.934,1094 12.735,1095 -0.924,1096 16.507,1097 -1.046,1098 10.289,1099 11.333,1100 7.032,1101 21.09,1102 10.211,1103 3.503,1104 -1,1105 18.476,1106 -2,1107 11.442,1108 12.519,1109 7.767,1110 23.696,1111 11.388,1112 2.734,1113 13.9,1114 20.46,1115 -2.097,1116 12.683,1117 13.884,1118 8.649,1119 26.329,1120 12.638,1121 2.642,1122 8.097,1123 22.457,1124 3.78,1125 13.89,1126 15.135,1127 9.44,1128 28.954,1129 13.861,1130 2.037,1131 7.865,1132 24.462,1133 3.613,1134 15.128,1135 16.47,1136 10.299,1137 31.586,1138 15.109,1139 1.593,1140 5.853,1141 26.474,1142 2.994,1143 16.358,1144 17.752,1145 11.117,1146 34.216,1147 16.35,1148 1.433,1149 4.082,1150 28.491,1151 2.44,1152 17.6,1153 19.075,1154 11.967,1155 36.848,1156 17.599,1157 1.189,1158 3.132,1159 30.511,1160 1.927,1161 18.84,1162 20.373,1163 12.8,1164 39.479,1165 18.848,1166 4972,1167 8387,1168 15.197,1169 30.404,1170 35.515,1171 36.066,1172 38.119,1173 35.164,1174 35.15,1175 40.97,1176 8.794,1177 101.211,1178 33.757,1179 5.537,1180 5.98,1181 7.39,1182 5.624,1183 5.503,1184 6.393,1185 3.925,1186 21.295,1187 5.478,1188 13.383,1189 1.48,1190 1.503,1191 1.588,1192 1.465,1193 1.465,1194 1.707,1195 0.366,1196 4.217,1197 1.407,1198 3.985,1199 4.025,1200 4.223,1201 3.885,1202 7.474,1203 3.873,1204 3.804,1205 3.843,1206 3.857,1207 3.752,1208 7.428,1209 3.683,1210 3.705,1211 3.757,1212 3.58,1213 3.569,1214 6.351,1215 3.559,1216 3.405,1217 3.475,1218 3.251,1219 3.213,1220 5.008,1221 3.205,1222 3.373,1223 3.435,1224 3.215,1225 3.167,1226 4.285,1227 3.157,1228 3.183,1229 3.228,1230 3.089,1231 2.961,1232 4.113,1233 2.967,1234 2.934,1235 2.979,1236 2.782,1237 2.671,1238 4.016,1239 2.635,1240 2.869,1241 2.974,1242 2.583,1243 2.581,1244 3.779,1245 2.63,1246 0.19,1247 0.168,1248 0.318,1249 0.188,1250 0.146,1251 4.568,1252 0.158,1253 4.026,1254 0.098,1255 7.627,1256 0.579,1257 4.505,1258 0.146,1259 3.503,1260 3.78,1261 2.341,1262 13.9,1263 3.509,1264 1.842,1265 1.806,1266 2.028,1267 1.987,1268 1.424,1269 1.999,1270 1.627,1271 1.58,1272 1.86,1273 1.806,1274 1.211,1275 1.824,1276 1.589,1277 1.537,1278 1.86,1279 1.757,1280 1.181,1281 1.796,1282 1.577,1283 1.507,1284 1.837,1285 1.751,1286 1.051,1287 1.793,1288 1.323,1289 1.271,1290 1.577,1291 1.587,1292 0.807,1293 1.576,1294 1.225,1295 1.178,1296 1.305,1297 1.477,1298 0.443,1299 1.462,1300 0.911,1301 0.835,1302 1.203,1303 1.191,1304 0.404,1305 1.185,1306 0.771,1307 0.727,1308 1.119,1309 1.172,1310 0.202,1311 1.149,1312 3.892,1314 5.198,1315 3.045,1316 6.691,1317 5.283,1318 8.273,1319 7.273,1320 9.908,1322 3.97,1327 9.434,1328 6.091,1329 2.879,1332 -0.454,1334 -0.573,1340 28.191,1341 78.472,1342 138.385,1343 193.265,1344 230.568,1345 230.568,1346 230.568,1347 71.468,1348 6.209,1349 92.18,1350 120.42,1351 10,1352 12.269,1353 3,1354 2.459,1355 44.988,1356 71,1357 87,1358 0.304,1359 181.254,1360 317.06,1361 434.02,1362 2918,1364 16.872,1365 0.734,1366 0.636,1367 17.226,1368 14.617,1369 11.003,1370 0.458,1371 0.383,1372 8.355,1373 10.167,1374 8.057,1375 6.735,1376 11.411,1377 9.187,1378 9.656,1379 0.293,1380 0.224,1381 10.352,1382 7.386,1383 7.83,1384 0.186,1385 0.134,1386 8.595,1387 5.639,1388 6.055,1389 0.119,1390 0.08,1391 6.783,1392 4.06,1393 4.258,1394 0.079,1395 0.046,1396 4.771,1397 2.462,1398 0.464,1399 73.15,1400 0.257,1401 22.326,1402 0.871,1403 114,1404 346.104,1405 153.485,1406 349.332,1407 459.08,1408 322,1409 132,1410 310.761,1411 164.187,1412 325.063,1413 472.35,1414 305,1415 5.523}
{0 CHEMBL212771,1 1.408,2 11.655,3 5.385,4 28.995,5 112.78,6 6.687,7 0.387,8 4.133,9 4.257,10 3.59,11 3.687,12 5.177,13 3.636,14 4.699,15 4.881,16 3.936,17 4.109,18 5.731,19 4.017,20 5.045,21 5.277,22 3.994,23 4.264,24 5.95,25 4.139,26 5.15,27 5.403,28 4.011,29 4.246,30 6.141,31 4.13,32 5.11,33 5.346,34 4.086,35 4.249,36 6.163,37 4.159,38 5.151,39 5.376,40 4.09,41 4.244,42 6.38,43 4.15,44 5.091,45 5.348,46 3.809,47 4.167,48 6.075,49 4.025,50 4.942,51 5.224,52 3.649,53 4.021,54 5.865,55 3.854,56 0.05,57 0.804,58 13.346,59 5.943,60 9.629,61 8.033,62 0.269,63 1.333,64 24.321,65 10.336,66 49.601,67 14.353,68 0.241,69 1.727,70 35.412,71 13.509,72 45.22,73 19.227,74 0.528,75 1.795,76 40.861,77 13.705,78 95.2,79 19.58,80 0.418,81 1.768,82 38.941,83 13.074,84 73.125,85 18.579,86 0.834,87 1.795,88 41.377,89 13.126,90 151.504,91 18.556,92 0.513,93 1.711,94 38.586,95 12.543,96 89.232,97 18.211,98 0.39,99 1.474,100 32.749,101 11.495,102 64.207,103 17.005,104 24,105 42,106 0.231,107 0.536,108 0.706,109 0.842,110 0.85,111 0.85,112 3.408,113 1.021,114 -5.37,115 -5.26,116 -4.91,121 40.7,122 1,123 8,124 1,125 1,144 7,145 2,147 1,149 1,160 2,170 1,174 1,176 20,177 1,180 4,183 3,185 3,187 23,188 2,192 6,197 6,200 16,201 2,205 1,206 8,211 7,214 14,215 3,219 9,220 1,224 5,225 1,227 14,228 2,231 1,232 10,235 2,236 1,237 5,239 14,244 5,245 1,249 3,251 13,252 1,255 1,256 5,259 1,261 2,264 13,265 1,269 4,274 1,277 15,278 2,281 1404,282 19.568,283 19.568,284 19.568,285 19.568,286 19.568,287 17.794,288 22.108,289 11.84,290 19.675,291 15.265,292 15.265,293 15.265,294 15.265,295 15.265,296 12.64,297 34.062,298 5.508,299 15.418,300 4.475,301 2.606,302 1.567,303 0.737,304 0.691,305 0.691,306 4.087,311 1,312 1,313 707,314 4.301,317 92.08,318 217.136,325 1.736,326 32.955,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 62,338 338,339 4.567,340 4.026,341 7.627,342 4.505,343 3.502,344 3.759,345 2.341,346 13.9,347 3.51,348 4.109,349 3.711,350 5.905,351 3.74,352 2.756,353 3.62,354 1.907,355 8.118,356 2.717,357 3.863,358 3.003,359 5.695,360 3.653,361 2.65,362 3.401,363 0.68,364 7.997,365 2.644,366 3.824,367 2.768,368 5.37,369 3.432,370 2.456,371 2.995,372 0.149,373 7.038,374 2.395,375 3.358,376 2.517,377 4.97,378 3.011,379 2.03,380 2.604,382 5.737,383 1.983,384 2.977,385 2.101,386 4.646,387 2.635,388 1.631,389 2.065,391 4.182,392 1.629,393 2.848,394 2.023,395 3.962,396 2.443,397 1.439,398 1.945,400 3.135,401 1.43,402 2.655,403 1.501,404 3.618,405 2.409,406 1.411,407 1.71,409 3.037,410 1.406,411 2.649,412 1.369,413 3.606,414 2.213,415 1.228,416 1.607,418 2.666,419 1.206,420 2.5,421 1.226,422 3.579,423 2.115,424 1.125,425 1.5,427 2.518,428 1.108,429 2.283,430 1.016,431 3.482,432 2,433 1,434 1.255,436 2.136,437 1,438 1.846,439 1,440 3.247,441 1.739,442 0.733,443 0.779,445 1.464,446 0.73,447 1.618,448 0.618,449 3.157,450 1.618,451 0.618,452 0.618,454 1.367,455 0.618,456 1.296,457 0.479,458 2.872,459 0.99,465 1.167,466 0.417,467 2.769,468 0.773,469 -0.215,470 -0.27,472 -0.538,473 -0.21,474 13.8,475 0.476,476 0.651,477 0.022,478 32.75,479 1.129,480 15.5,481 0.534,482 17.25,483 0.595,484 29.676,485 1.023,486 32.4,487 0.549,488 24.145,489 0.833,490 5.784,491 0.199,492 8.237,493 0.284,494 0.109,495 0.036,496 0.217,501 0.722,502 1.22,503 0.908,504 1.114,505 0.632,506 1.046,507 0.386,508 1.164,509 0.918,510 1.161,511 0.403,512 1.119,513 0.815,514 1.196,515 1.002,516 1.158,517 0.822,518 1.111,519 1.321,520 0.943,521 1.004,522 0.892,523 1.37,524 0.903,525 1.362,526 1.005,527 0.992,528 0.941,529 1.343,530 0.914,531 1.517,532 1.014,533 1.13,534 0.949,535 1.544,536 0.983,537 1.435,538 0.985,539 1.196,540 0.942,541 1.363,542 1.018,543 0.704,544 0.942,545 0.948,546 0.964,547 0.636,548 0.978,549 6.5,550 0.127,551 2.889,552 1.937,553 1.698,554 0.83,555 0.662,556 0.367,557 0.275,558 0.19,559 10326,560 24506,561 2.025,562 50.8,563 19,564 7,566 1,567 2,568 1,572 1.722,573 1.902,574 3.494,575 0.16,582 83.075,583 1.408,584 3.277,585 4.315,586 5.145,587 5.192,588 5.192,589 2.928,590 4.142,591 4.829,592 3.656,593 1484.3,594 8.423,595 20324.8,600 347.076,601 1.459,602 4.784,603 0.21,604 0.005,605 0.069,606 0.046,607 0.04,608 0.018,609 0.015,610 0.011,611 0.01,612 0.007,613 0.432,614 0.17,615 1,616 1.33,617 147.733,618 -0.046,619 -0.001,620 0.021,621 0.042,622 -0.024,623 0.04,624 0.238,625 -0.039,626 0.011,627 -0.065,628 0.177,629 -0.062,630 -0.017,631 -0.169,632 -0.045,633 -0.138,634 -0.033,635 -0.102,636 -0.083,637 0.032,638 0.014,639 0.059,640 -0.108,641 0.05,642 -0.104,643 0.007,644 0.029,645 0.02,646 -0.079,647 0.042,648 0.053,649 -0.011,650 -0.074,651 -0.008,652 0.043,653 -0.053,654 -0.219,655 0.011,656 -0.179,657 -0.007,658 -0.174,659 -0.076,660 0.079,661 0.033,662 0.019,663 -0.012,664 0.085,665 -0.004,666 2.464,667 6.225,668 0.586,669 28.29,670 0.992,671 1.126,672 4.145,673 17.18,674 0.645,675 3.466,676 3.761,677 3.989,678 4.205,679 4.357,680 4.331,681 4.344,682 4.419,683 4.394,684 4.407,685 6.839,686 0.603,687 394.56,688 3.466,689 4.99,690 5.82,691 6.688,692 7.543,693 8.418,694 9.282,695 10.161,696 11.031,697 11.913,698 3.4,705 1,708 1,715 8,716 1,720 3,722 12,741 59,743 14,744 1,745 31,747 61,748 24,749 11,750 1,751 5,756 3,757 3,763 1,764 1,766 1,767 4,770 8,772 13,773 11,774 1,777 2,782 2,786 2,793 30,794 5,795 2,796 5,802 2,808 1,809 3,822 1,828 1,829 2,843 1,845 1,857 1,859 3,864 1,868 29,875 1,876 8,877 1,880 1,882 1,893 5.1,895 1,896 2,901 15.25,902 10.483,903 6.569,904 3.951,907 2.179,908 1.311,909 0.921,910 7.302,911 9.189,912 3.689,913 4.174,914 4.595,915 5.035,916 5.471,917 5.482,918 5.729,919 6.145,920 6.366,921 6.618,922 0.875,923 42,924 10.857,926 4.646,927 0.026,929 7.79,931 20.903,933 17.453,936 2.29,937 66.417,941 329.591,942 118.796,943 34.796,945 92.973,948 118.796,949 422.564,950 34.796,951 8.825,952 38.287,953 66.334,954 127.144,955 15.419,956 2.328,957 317.82,959 329.591,960 153.592,961 92.973,964 329.591,965 92.973,968 56.16,969 80.647,970 16.786,972 329.591,973 127.769,974 118.796,977 329.591,978 34.59,979 84.206,980 18.011,981 109.759,982 329.591,983 127.769,984 118.796,986 0.568,987 0.33,988 0.178,989 0.096,990 18,991 8,992 0.148,993 9,995 1,996 4,997 245.022,999 17,1000 132.881,1005 21.36,1006 9.913,1007 5.592,1009 127.769,1010 15.746,1011 4.326,1015 2.82,1017 60.694,1018 576.157,1019 39,1024 24.899,1028 -0.879,1031 58.556,1032 66.438,1034 0.239,1035 0.557,1036 0.734,1037 0.875,1038 0.883,1039 0.883,1040 4.92,1041 1.411,1042 5.814,1043 3.135,1044 4.443,1045 4.86,1046 2.805,1047 6.645,1048 4.425,1049 6.095,1050 1.228,1051 7.391,1052 3.037,1053 4.111,1054 4.559,1055 2.591,1056 7.938,1057 4.096,1058 7.391,1059 1.125,1060 9.093,1061 2.666,1062 6.089,1063 6.885,1064 4.013,1065 10.994,1066 6.062,1067 8.723,1068 1,1069 10.882,1070 2.518,1071 6.648,1072 7.35,1073 4.392,1074 13.225,1075 6.633,1076 10.092,1077 0.733,1078 12.732,1079 2.136,1080 8.113,1081 9.19,1082 5.47,1083 15.931,1084 8.089,1085 11.486,1086 0.618,1087 14.628,1088 1.464,1089 9.062,1090 9.997,1091 6.092,1092 18.454,1093 9.052,1094 12.899,1096 16.558,1097 1.367,1098 10.357,1099 11.624,1100 7.032,1101 21.096,1102 10.344,1103 3.502,1104 -0.215,1105 18.513,1107 11.475,1108 12.611,1109 7.767,1110 23.699,1111 11.474,1112 2.756,1113 13.9,1114 20.488,1115 -0.538,1116 12.721,1117 14.122,1118 8.649,1119 26.331,1120 12.72,1121 2.65,1122 8.118,1123 22.477,1124 3.759,1125 13.911,1126 15.217,1127 9.44,1128 28.955,1129 13.919,1130 2.456,1131 7.997,1132 24.477,1133 3.62,1134 15.148,1135 16.658,1136 10.299,1137 31.587,1138 15.159,1139 2.03,1140 7.038,1141 26.485,1142 3.401,1143 16.371,1144 17.822,1145 11.117,1146 34.216,1147 16.388,1148 1.631,1149 5.737,1150 28.499,1151 2.995,1152 17.611,1153 19.217,1154 11.967,1155 36.848,1156 17.631,1157 1.439,1158 4.182,1159 30.517,1160 2.604,1161 18.848,1162 20.427,1163 12.8,1164 39.479,1165 18.873,1166 10168,1167 15766,1168 20.455,1169 38.034,1170 45.56,1171 46.664,1172 47.718,1173 45.195,1174 45.156,1175 55.716,1176 10.154,1177 126.588,1178 44.752,1179 5.536,1180 6.026,1181 7.429,1182 5.551,1183 5.502,1184 6.759,1185 3.925,1186 21.293,1187 5.51,1188 14.046,1189 1.47,1190 1.505,1191 1.539,1192 1.458,1193 1.457,1194 1.797,1195 0.328,1196 4.083,1197 1.444,1198 4.016,1199 4.054,1200 3.944,1201 3.926,1202 7.474,1203 3.923,1204 3.928,1205 3.964,1206 3.841,1207 3.85,1208 7.428,1209 3.842,1210 3.797,1211 3.838,1212 3.729,1213 3.702,1214 6.351,1215 3.704,1216 3.704,1217 3.756,1218 3.578,1219 3.568,1220 4.896,1221 3.558,1222 3.395,1223 3.455,1224 3.24,1225 3.204,1226 4.732,1227 3.196,1228 3.32,1229 3.362,1230 3.214,1231 3.082,1232 4.284,1233 3.109,1234 3.115,1235 3.176,1236 2.985,1237 2.957,1238 4.113,1239 2.957,1240 2.971,1241 3.017,1242 2.816,1243 2.743,1244 3.957,1245 2.748,1246 0.147,1247 0.13,1248 0.246,1249 0.145,1250 0.113,1251 4.567,1252 0.121,1253 4.026,1254 0.076,1255 7.627,1256 0.448,1257 4.505,1258 0.113,1259 3.502,1260 3.759,1261 2.341,1262 13.9,1263 3.51,1264 1.955,1265 1.926,1266 2.074,1267 2.052,1268 1.424,1269 2.058,1270 1.848,1271 1.812,1272 2.028,1273 1.984,1274 1.224,1275 1.998,1276 1.776,1277 1.739,1278 1.907,1279 1.903,1280 1.211,1281 1.909,1282 1.609,1283 1.556,1284 1.86,1285 1.776,1286 1.18,1287 1.802,1288 1.577,1289 1.507,1290 1.848,1291 1.751,1292 0.951,1293 1.793,1294 1.304,1295 1.254,1296 1.575,1297 1.566,1298 0.807,1299 1.558,1300 1.158,1301 1.094,1302 1.402,1303 1.383,1304 0.535,1305 1.39,1306 1.012,1307 0.949,1308 1.25,1309 1.258,1310 0.412,1311 1.267,1312 4.143,1314 5.442,1315 2.398,1316 6.936,1317 4.595,1318 8.52,1319 6.605,1320 10.152,1322 1.986,1327 9.583,1328 6.014,1329 2.994,1332 -0.471,1334 -0.602,1340 35.562,1341 83.075,1342 193.334,1343 254.612,1344 303.566,1345 306.321,1346 306.321,1347 78.045,1348 7.009,1349 79.29,1350 79.29,1351 17,1352 12.45,1353 3.907,1354 3.17,1355 52.359,1356 118,1357 123,1358 0.215,1359 220.965,1360 392.13,1361 530.914,1362 9670,1364 20.692,1365 0.714,1366 0.588,1367 20.692,1368 17.064,1369 14.021,1370 0.452,1371 0.34,1372 10.478,1373 13.683,1374 10.212,1375 8.52,1376 14.021,1377 10.554,1378 12.342,1379 0.294,1380 0.195,1381 12.342,1382 8.181,1383 9.885,1384 0.187,1385 0.113,1386 9.885,1387 5.983,1388 8.016,1389 0.121,1390 0.067,1391 8.016,1392 4.442,1393 6.175,1394 0.08,1395 0.036,1396 6.175,1397 2.805,1398 0.337,1399 86.719,1400 0.221,1401 27.597,1402 0.587,1403 146,1404 385.599,1405 156.473,1406 375.655,1407 499.47,1408 348,1409 168,1410 353.021,1411 177.478,1412 359.732,1413 518.77,1414 338,1415 5.523}
{0 CHEMBL213240,1 1.4,2 10.963,3 3.272,4 10.707,5 103.978,6 6.041,8 4.182,9 4.322,10 3.533,11 3.645,12 5.13,13 3.583,14 4.819,15 5.035,16 3.904,17 4.107,18 5.735,19 3.999,20 5.192,21 5.441,22 4.024,23 4.312,24 6.064,25 4.174,26 5.339,27 5.607,28 4.021,29 4.306,30 6.309,31 4.18,32 5.254,33 5.504,34 4.033,35 4.302,36 6.242,37 4.18,38 5.326,39 5.585,40 3.975,41 4.322,42 6.403,43 4.161,44 5.297,45 5.603,46 3.662,47 4.237,48 6.054,49 4.016,50 5.134,51 5.461,52 3.532,53 4.038,54 5.936,55 3.816,56 0.055,57 0.856,58 15.694,59 6.347,60 9.575,61 9.046,62 0.373,63 1.408,64 29.202,65 10.871,66 52.61,67 15.941,68 0.311,69 1.789,70 41.681,71 14.255,72 52.098,73 21.436,74 0.765,75 1.827,76 49.18,77 13.927,78 121.27,79 21.561,80 0.564,81 1.77,82 45.118,83 14.025,84 92.855,85 21.099,86 0.998,87 1.807,88 48.434,89 15.267,90 163.61,91 22.7,92 0.54,93 1.702,94 44.868,95 14.567,96 88.045,97 22.362,98 0.57,99 1.407,100 37.926,101 11.982,102 89.24,103 18.682,104 65,105 39,106 0.231,107 0.405,108 0.632,109 0.792,110 0.807,111 0.807,112 3.34,113 1.129,114 -3.7,115 -3.67,116 -3.49,121 33.3,122 1,123 11,124 2,125 1,126 2,129 1,160 3,170 1,174 1,176 14,177 1,179 1,180 4,183 2,185 4,187 15,188 2,192 9,197 7,200 9,201 2,206 11,211 6,214 8,215 3,219 6,220 1,224 4,225 1,227 13,228 2,231 1,232 4,235 4,236 1,237 3,239 17,244 1,249 1,251 13,252 2,255 2,256 4,261 2,264 7,265 2,269 8,274 2,277 5,278 1,281 1174,282 17.551,283 17.551,284 17.551,285 17.551,286 17.551,287 17.147,288 21.561,289 10.268,290 17.68,291 13.674,292 13.674,293 13.674,294 13.674,295 13.674,296 12.889,297 28.522,298 4.657,299 13.821,300 4.577,301 3.52,302 2.145,303 1.171,304 1.084,305 1.084,306 3.995,311 1,312 1,313 595,314 4.796,317 91.043,318 106.309,325 1.671,326 40.278,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 59,338 296,339 4.564,340 4.026,341 7.627,342 4.506,343 3.502,344 3.67,345 2.341,346 13.9,347 3.511,348 4.067,349 3.796,350 6.284,351 3.911,352 2.918,353 3.231,354 1.94,355 9.193,356 2.893,357 3.84,358 3.711,359 5.905,360 3.659,361 2.657,362 2.997,363 1.907,364 8.074,365 2.648,366 3.505,367 2.792,368 5.429,369 3.428,370 2.458,371 2.522,372 0.555,373 7.131,374 2.38,375 3.026,376 2.522,377 4.886,378 2.864,379 1.901,380 2.03,381 0.149,382 5.124,383 1.828,384 2.767,385 2.092,386 4.682,387 2.625,388 1.618,389 1.75,391 4.201,392 1.617,393 2.654,394 2.024,395 3.962,396 2.441,397 1.434,398 1.607,400 3.133,401 1.426,402 2.284,403 1.862,404 3.618,405 2.208,406 1.199,407 1.256,409 2.619,410 1.204,411 2.11,412 1.369,413 3.589,414 2,415 1,416 1,418 2.275,419 1,420 2,421 1.016,422 3.414,423 1.768,424 0.757,425 0.875,427 1.602,428 0.756,429 1.844,430 1,431 3.283,432 1.716,433 0.686,434 0.771,436 1.464,437 0.697,438 1.618,439 0.618,440 3.104,441 1.618,442 0.618,443 0.618,445 1.355,446 0.618,447 1.111,448 0.609,449 2.815,450 0.878,451 -0.137,452 -0.155,454 -0.33,455 -0.138,456 0.683,457 0.426,458 2.468,459 0.672,460 -0.329,461 -0.331,463 -0.638,464 -0.329,465 0.472,466 -0.055,467 2.024,468 0.187,469 -0.849,470 -0.918,472 -2,473 -0.864,474 12.633,475 0.468,476 0.799,477 0.03,478 20.75,479 0.769,480 4.5,481 0.167,482 16.25,483 0.602,484 35.866,485 1.328,486 33.567,487 0.533,488 15.084,489 0.559,490 2.997,491 0.111,492 9.79,493 0.363,494 0.224,495 0.04,496 0.269,501 0.703,502 1.565,503 1.019,504 1.403,505 0.594,506 1.277,507 0.467,508 1.2,509 0.949,510 1.182,511 0.395,512 1.139,513 0.781,514 1.315,515 1.001,516 1.271,517 0.77,518 1.182,519 1.493,520 0.913,521 1.106,522 0.873,523 1.519,524 0.915,525 1.295,526 1.061,527 1.098,528 1.056,529 1.312,530 1.043,531 1.091,532 0.997,533 1.116,534 1.064,535 1.16,536 1.1,537 0.84,538 0.978,539 0.978,540 0.994,541 0.809,542 1.01,543 0.578,544 0.813,545 0.806,546 0.858,547 0.534,548 0.862,549 7,550 0.178,551 4,552 2,553 1.907,554 0.996,555 0.582,556 0.409,557 0.302,558 0.217,559 7755,560 18026,561 1.905,562 57.1,563 21,564 7,567 2,568 2,569 4,572 1.702,573 1.733,574 3.401,575 0.231,577 1,582 88.213,583 1.4,584 2.457,585 3.832,586 4.806,587 4.894,588 4.894,589 2.876,590 4.162,591 4.724,592 3.591,593 1260.41,594 8.209,595 16344.9,597 1,600 376.569,601 1.706,602 4.642,603 0.25,604 0.009,605 0.103,606 0.049,607 0.048,608 0.024,609 0.016,610 0.016,611 0.013,612 0.009,613 0.537,614 0.33,615 1,616 1.664,617 134.252,618 -0.035,619 -0.107,620 0.019,621 -0.017,622 -0.014,623 0.004,624 0.179,625 0.059,626 0.039,627 0.014,628 0.144,629 0.006,630 -0.006,631 -0.21,632 -0.028,633 -0.175,634 -0.007,635 -0.113,636 -0.191,637 0.068,638 -0.061,639 0.065,640 -0.172,641 0.03,642 -0.133,643 -0.019,644 -0.067,645 -0.036,646 -0.104,647 -0.038,648 0.085,649 -0.01,650 -0.099,651 -0.064,652 0.054,653 -0.111,654 -0.051,655 -0.057,656 -0.047,657 -0.036,658 -0.036,659 -0.042,660 0.121,661 0.08,662 0.106,663 0.054,664 0.109,665 0.078,666 2.446,667 6.142,668 0.407,669 25.907,670 0.993,671 1.141,672 2.47,673 6.102,674 0.6,675 3.367,676 3.689,677 3.912,678 4.06,679 4.19,680 4.19,681 4.19,682 4.19,683 4.111,684 4.078,685 6.547,686 0.553,687 380.59,688 3.367,689 4.905,690 5.74,691 6.613,692 7.476,693 8.354,694 9.227,695 10.107,696 10.985,697 11.867,698 3.2,705 2,741 63,743 3,745 28,747 64,748 21,756 2,757 2,763 1,764 1,766 1,767 9,768 1,770 12,772 3,773 18,774 2,777 3,782 3,786 3,790 1,793 36,794 6,795 2,796 6,802 2,808 1,809 4,828 1,829 1,843 1,844 1,845 1,857 1,859 2,864 3,868 27,875 1,876 11,877 1,880 3,881 1,882 1,893 6.3,895 1,896 3,901 15.583,902 11.65,903 6.125,904 4.375,907 0.178,908 1.027,909 0.869,910 8.147,911 6.753,912 3.466,913 3.829,914 4.094,915 4.205,916 4.357,917 4.407,918 4.357,919 4.407,920 4.29,921 4.205,922 1,923 41,924 10.217,926 4.387,927 0.026,929 7.88,931 19.801,933 16.825,936 2.38,937 64.25,940 1,941 400.217,942 63.817,943 21.135,945 118.118,948 63.817,949 518.336,950 21.135,951 25.618,952 49.015,954 128.437,957 400.217,959 400.217,960 84.952,961 118.118,964 353.133,965 165.203,968 57.84,969 27.112,972 400.217,973 139.253,974 63.817,977 400.217,978 38.199,979 28.742,980 18.011,981 118.118,982 400.217,983 139.253,984 63.817,986 0.581,987 0.342,988 0.167,989 0.087,990 16,991 9,992 0.125,993 8,995 1,996 3.679,997 217.043,999 11,1000 118.382,1005 22.201,1006 9.908,1007 5.696,1009 139.253,1017 60.694,1018 603.288,1019 31,1024 36.878,1028 -0.556,1031 62.534,1032 71.893,1034 0.234,1035 0.411,1036 0.641,1037 0.804,1038 0.819,1039 0.819,1040 4.754,1041 1.199,1042 5.771,1043 3.133,1044 4.369,1045 4.511,1046 3.104,1047 6.637,1048 4.353,1049 5.908,1050 1,1051 7.387,1052 2.619,1053 4.205,1054 4.443,1055 2.87,1056 8.001,1057 4.182,1058 7.212,1059 0.757,1060 9.124,1061 2.275,1062 6.066,1063 6.34,1064 4.295,1065 11.04,1066 6.04,1067 8.551,1068 0.686,1069 10.938,1070 1.602,1071 6.735,1072 7.099,1073 4.632,1074 13.273,1075 6.714,1076 9.93,1077 0.618,1078 12.804,1079 1.464,1080 8.138,1081 8.536,1082 5.699,1083 15.972,1084 8.115,1085 11.335,1086 -0.137,1087 14.707,1088 1.355,1089 9.139,1090 9.609,1091 6.282,1092 18.484,1093 9.126,1094 12.759,1095 -0.329,1096 16.639,1097 -0.33,1098 10.405,1099 10.912,1100 7.207,1101 21.12,1102 10.392,1103 3.502,1104 -0.849,1105 18.592,1106 -0.638,1107 11.542,1108 12.104,1109 7.912,1110 23.715,1111 11.537,1112 2.918,1113 13.9,1114 20.562,1115 -2,1116 12.774,1117 13.374,1118 8.779,1119 26.343,1120 12.772,1121 2.657,1122 9.193,1123 22.545,1124 3.67,1125 13.967,1126 14.612,1127 9.548,1128 28.963,1129 13.972,1130 2.458,1131 8.074,1132 24.538,1133 3.231,1134 15.196,1135 15.879,1136 10.392,1137 31.592,1138 15.205,1139 1.901,1140 7.131,1141 26.538,1142 2.997,1143 16.416,1144 17.14,1145 11.195,1146 34.22,1147 16.43,1148 1.618,1149 5.124,1150 28.545,1151 2.522,1152 17.65,1153 18.411,1154 12.034,1155 36.85,1156 17.668,1157 1.434,1158 4.201,1159 30.557,1160 2.03,1161 18.883,1162 19.683,1163 12.856,1164 39.481,1165 18.906,1166 8034,1167 12306,1168 17.394,1169 37.773,1170 41.995,1171 43.637,1172 44.765,1173 41.573,1174 41.497,1175 44.653,1176 13.786,1177 120.144,1178 41.155,1179 5.564,1180 6.026,1181 7.39,1182 5.53,1183 5.502,1184 5.67,1185 3.925,1186 21.29,1187 5.511,1188 17.971,1189 1.5,1190 1.558,1191 1.599,1192 1.485,1193 1.482,1194 1.595,1195 0.492,1196 4.291,1197 1.47,1198 4.002,1199 4.046,1200 3.904,1201 3.888,1202 7.474,1203 3.884,1204 3.883,1205 3.931,1206 3.773,1207 3.768,1208 7.429,1209 3.76,1210 3.708,1211 3.759,1212 3.584,1213 3.569,1214 7.425,1215 3.56,1216 3.59,1217 3.666,1218 3.471,1219 3.349,1220 6.351,1221 3.37,1222 3.394,1223 3.455,1224 3.222,1225 3.2,1226 4.355,1227 3.191,1228 3.323,1229 3.382,1230 3.198,1231 3.074,1232 4.248,1233 3.093,1234 3.111,1235 3.206,1236 2.933,1237 2.941,1238 4.184,1239 2.91,1240 3.096,1241 3.14,1242 2.866,1243 2.883,1244 4.111,1245 2.888,1246 0.163,1247 0.144,1248 0.272,1249 0.161,1250 0.125,1251 4.564,1252 0.131,1253 4.026,1254 0.084,1255 7.627,1256 0.496,1257 4.506,1258 0.125,1259 3.502,1260 3.67,1261 2.341,1262 13.9,1263 3.511,1264 1.904,1265 1.858,1266 2.094,1267 2.061,1268 1.489,1269 2.073,1270 1.829,1271 1.789,1272 2.024,1273 1.974,1274 1.42,1275 1.989,1276 1.618,1277 1.564,1278 1.86,1279 1.821,1280 1.211,1281 1.827,1282 1.577,1283 1.507,1284 1.858,1285 1.758,1286 1.181,1287 1.793,1288 1.511,1289 1.434,1290 1.782,1291 1.751,1292 0.896,1293 1.778,1294 1.305,1295 1.253,1296 1.577,1297 1.569,1298 0.825,1299 1.563,1300 1.192,1301 1.116,1302 1.513,1303 1.442,1304 0.807,1305 1.455,1306 1.153,1307 1.064,1308 1.472,1309 1.376,1310 0.746,1311 1.429,1312 4.043,1314 5.361,1315 2.398,1316 6.87,1317 4.595,1318 8.466,1319 6.605,1320 10.108,1322 5.565,1327 9.541,1328 8.739,1329 3.22,1332 -0.266,1333 1.65,1334 -0.519,1340 34.858,1341 88.213,1342 154.786,1343 241.442,1344 302.794,1345 308.304,1346 308.304,1347 108.25,1348 6.575,1349 86.71,1350 86.71,1351 11,1352 12.403,1353 2,1354 2,1355 58.378,1356 104,1357 104,1358 0.274,1359 218.214,1360 396.38,1361 524.203,1362 4923,1364 20.027,1365 0.742,1366 0.634,1367 20.027,1368 17.129,1369 12.787,1370 0.457,1371 0.376,1372 10.425,1373 12.34,1374 10.096,1375 8.434,1376 12.787,1377 10.537,1378 11.587,1379 0.297,1380 0.225,1381 11.587,1382 8.77,1383 9.289,1384 0.19,1385 0.133,1386 9.289,1387 6.518,1388 6.785,1389 0.119,1390 0.086,1391 6.785,1392 4.897,1393 5.079,1394 0.078,1395 0.051,1396 5.079,1397 3.305,1398 0.43,1399 80.181,1400 0.24,1401 25.907,1402 0.754,1403 134,1404 361.334,1405 146.659,1406 340.311,1407 436.1,1408 312,1409 155,1410 294.024,1411 167.303,1412 296.819,1413 427.67,1414 276,1415 5.523}
{0 CHEMBL213281,1 1.58,2 9.92,3 4.131,4 17.067,5 99.946,6 6.807,7 0.192,8 4.041,9 4.173,10 3.551,11 3.562,12 5.054,13 3.485,14 4.637,15 4.837,16 3.964,17 3.989,18 5.62,19 3.872,20 4.962,21 5.206,22 3.907,23 4.128,24 5.842,25 3.97,26 5.092,27 5.358,28 3.951,29 4.12,30 6.067,31 3.984,32 5,33 5.244,34 4.039,35 4.108,36 6.03,37 4,38 5.043,39 5.26,40 4.087,41 4.138,42 6.297,43 4.015,44 5.05,45 5.302,46 3.778,47 4.049,48 6.095,49 3.895,50 4.789,51 5.035,52 3.737,53 3.923,54 5.776,55 3.753,56 0.063,57 0.776,58 13.524,59 5.696,60 10.33,61 7.547,62 0.293,63 1.265,64 26.68,65 9.302,66 49.509,67 13.371,68 0.266,69 1.512,70 36.771,71 12.584,72 44.4,73 17.436,74 0.628,75 1.554,76 43.667,77 12.264,78 96.653,79 17.556,80 0.45,81 1.493,82 37.402,83 11.501,84 72.264,85 16.308,86 0.781,87 1.554,88 44.135,89 12.482,90 135.532,91 16.653,92 0.772,93 1.45,94 43.823,95 11.587,96 121.135,97 15.903,98 0.404,99 1.251,100 32.81,101 10.035,102 56.998,103 14.202,104 50,105 36,106 0.268,107 0.484,108 0.694,109 0.818,110 0.818,111 0.818,112 3.267,113 1.159,114 -4.41,115 -4.34,116 -4.1,121 33.3,122 3,123 8,124 2,125 1,160 2,163 1,164 1,168 1,170 1,174 1,176 13,177 1,180 5,183 3,185 3,187 15,188 2,192 7,195 1,197 5,200 10,201 2,205 1,206 8,211 6,214 9,215 3,218 1,219 8,220 1,224 5,225 1,227 10,228 4,231 1,232 12,235 2,236 1,237 5,239 10,244 6,245 1,249 1,251 11,252 1,255 1,256 5,257 1,259 1,261 3,264 11,268 1,269 2,272 1,277 5,278 1,281 1033,282 16.292,283 16.292,284 16.292,285 16.292,286 16.292,287 15.399,288 18.47,289 9.544,290 16.61,291 12.711,292 12.711,293 12.711,294 12.711,295 12.711,296 11.247,297 25.238,298 4.392,299 13.262,300 4.175,301 2.903,302 1.664,303 0.931,304 0.931,305 0.931,306 3.92,311 1,312 1,313 499,314 4.583,317 167.793,325 1.53,326 33.888,328 1,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 54.5,338 248,339 4.568,340 4.026,341 7.627,342 4.505,343 3.503,344 3.78,345 2.341,346 13.9,347 3.509,348 4.103,349 3.712,350 5.909,351 3.675,352 2.736,353 3.613,354 1.907,355 8.112,356 2.66,357 3.84,358 2.895,359 5.658,360 3.577,361 2.654,362 2.997,363 0.149,364 7.868,365 2.334,366 3.284,367 2.697,368 5.045,369 3.172,370 2.172,371 2.44,373 5.854,374 2.17,375 3.2,376 2.261,377 4.645,378 2.97,379 2.037,380 2.203,382 5.118,383 1.897,384 2.909,385 2.142,386 4.617,387 2.576,388 1.593,389 1.927,391 4.082,392 1.542,393 2.549,394 1.895,395 3.947,396 2.323,397 1.316,398 1.49,400 3.062,401 1.305,402 2.243,403 1.35,404 3.618,405 2.09,406 1.085,407 1.185,409 2.487,410 1.081,411 2.193,412 0.893,413 3.506,414 1.689,415 0.753,416 1.067,418 1.75,419 0.691,420 1.618,421 0.618,422 3.288,423 1.618,424 0.618,425 0.618,427 1.464,428 0.618,429 1.498,430 0.59,431 3.098,432 1.388,433 0.39,434 0.404,436 0.904,437 0.386,438 1.429,439 0.465,440 2.848,441 1.245,442 0.333,443 0.373,445 0.49,446 0.298,447 0.973,448 0.369,449 2.507,450 0.548,451 -0.41,452 -0.516,454 -1.042,455 -0.384,456 0.542,457 0.244,458 2.376,459 0.443,460 -0.561,461 -0.566,463 -1.636,464 -0.559,465 0.365,466 -0.421,467 1.858,469 -1,470 -1,472 -2,473 -0.962,474 12.033,475 0.481,476 0.727,477 0.029,478 22.25,479 0.89,480 7.5,481 0.3,482 14.75,483 0.59,484 31.513,485 1.261,486 29.967,487 0.555,488 13.938,489 0.558,490 3.145,491 0.126,492 8.714,493 0.349,494 0.208,495 0.042,496 0.249,501 0.694,502 1.293,503 0.87,504 1.136,505 0.632,506 1.142,507 0.332,508 1.274,509 0.769,510 1.155,511 0.368,512 1.099,513 0.757,514 1.215,515 0.971,516 1.178,517 0.79,518 1.145,519 1.276,520 0.896,521 0.955,522 0.872,523 1.35,524 0.875,525 1.223,526 0.967,527 0.8,528 0.841,529 1.284,530 0.888,531 1.389,532 1.131,533 1.287,534 1.185,535 1.388,536 1.087,537 1.922,538 0.822,539 1.32,540 0.873,541 1.94,542 0.933,543 0.762,544 1.194,545 1.05,546 1.22,547 0.766,548 1.198,549 7,550 0.083,551 3.111,552 1.819,553 1.61,554 0.976,555 0.649,556 0.397,557 0.224,558 0.199,559 6080,560 15399,561 1.919,562 53.7,563 24,567 2,568 3,572 1.686,573 1.754,574 3.252,575 0.312,577 1,582 85.314,583 1.58,584 2.851,585 4.091,586 4.824,587 4.824,588 4.824,589 2.725,590 4.244,591 4.611,592 3.414,593 1024.15,594 8.009,595 12446,597 1,599 1,600 310.764,601 1.682,602 4.536,603 0.269,604 0.008,605 0.086,606 0.054,607 0.046,608 0.025,609 0.017,610 0.014,611 0.009,612 0.013,613 0.541,614 0.17,615 1,616 1.79,617 120.002,619 0.047,620 0.052,621 0.06,622 -0.011,623 0.026,624 0.29,625 -0.106,626 0.174,627 -0.031,628 0.203,629 0.007,630 0.014,631 -0.184,632 -0.035,633 -0.148,634 -0.012,635 -0.11,636 -0.095,637 0.052,638 0.012,639 0.051,640 -0.113,641 0.069,642 -0.055,643 0.023,644 0.095,645 0.072,646 -0.061,647 0.078,648 0.054,649 -0.083,650 -0.114,651 -0.108,652 0.111,653 -0.11,654 -0.374,655 0.126,656 -0.22,657 0.09,658 -0.3,659 -0.015,660 0.07,661 -0.146,662 -0.058,663 -0.189,664 0.05,665 -0.183,666 2.455,667 5.965,668 0.4,669 21.638,670 0.997,671 1.138,672 3.183,673 10.132,674 0.628,675 3.296,676 3.611,677 3.807,678 3.989,679 4.078,680 4.111,681 4.06,682 4.078,683 3.871,684 3.807,685 5.889,686 0.579,687 367.57,688 3.296,689 4.828,690 5.652,691 6.526,692 7.383,693 8.263,694 9.134,695 10.017,696 10.896,697 11.782,698 5.6,705 1,708 2,716 2,719 1,720 2,722 5,741 54,743 7,745 26,747 55,748 18,749 2,756 2,757 2,763 3,764 1,766 1,767 4,770 8,772 4,773 14,774 2,777 2,782 2,786 2,790 1,793 29,794 6,795 2,796 7,797 1,802 3,808 1,809 3,828 2,843 1,845 1,857 1,859 2,862 1,864 3,868 25,875 1,876 8,877 1,880 2,882 1,893 5.6,895 1,896 2,901 14.25,902 10.267,903 5.653,904 3.794,907 0.813,908 1.128,909 0.879,910 7.36,911 7.151,912 3.45,913 3.897,914 4.247,915 4.606,916 4.702,917 4.842,918 4.891,919 4.958,920 4.886,921 4.96,922 0.857,923 34,924 9.392,926 3.99,927 0.026,929 7.857,931 18.068,933 15.031,936 2.357,937 58.917,939 1,940 1,941 317.82,942 85.074,943 51.337,945 92.973,947 31.278,948 53.797,949 410.793,950 51.337,951 26.476,952 38.287,954 132.843,955 0.501,957 349.097,959 317.82,960 105.133,961 92.973,962 31.278,964 317.82,965 92.973,968 66.193,969 5.615,970 33.326,971 31.278,972 317.82,973 144.31,974 85.074,977 317.82,978 58.599,979 26.476,980 18.011,981 126.299,982 317.82,983 144.31,984 85.074,986 0.579,987 0.326,988 0.162,989 0.087,990 15,991 8,992 0.164,993 9,995 1,996 3.537,997 195.202,999 10,1000 110.096,1001 1,1005 20.288,1006 9.069,1007 5.473,1009 144.31,1011 8.058,1014 1.388,1015 1.401,1017 60.694,1018 547.204,1019 30.5,1024 24.678,1028 -0.872,1031 53.851,1032 61.441,1034 0.275,1035 0.495,1036 0.711,1037 0.838,1038 0.838,1039 0.838,1040 4.712,1041 1.085,1042 5.68,1043 3.062,1044 4.29,1045 4.58,1046 2.748,1047 6.532,1048 4.221,1049 5.891,1050 0.753,1051 7.281,1052 2.487,1053 4.111,1054 4.477,1055 2.591,1056 7.906,1057 4.033,1058 7.201,1059 0.618,1060 9.005,1061 1.75,1062 5.974,1063 6.561,1064 4.005,1065 10.938,1066 5.864,1067 8.547,1068 0.39,1069 10.811,1070 1.464,1071 6.635,1072 7.266,1073 4.392,1074 13.206,1075 6.543,1076 9.931,1077 0.333,1078 12.675,1079 0.904,1080 8.036,1081 8.871,1082 5.469,1083 15.912,1084 7.931,1085 11.338,1086 -0.41,1087 14.582,1088 0.49,1089 9.041,1090 9.908,1091 6.092,1092 18.446,1093 8.963,1094 12.765,1095 -0.561,1096 16.522,1097 -1.042,1098 10.31,1099 11.341,1100 7.032,1101 21.09,1102 10.234,1103 3.503,1104 -1,1105 18.485,1106 -1.636,1107 11.456,1108 12.523,1109 7.767,1110 23.696,1111 11.402,1112 2.736,1113 13.9,1114 20.467,1115 -2,1116 12.694,1117 13.887,1118 8.649,1119 26.33,1120 12.649,1121 2.654,1122 8.112,1123 22.461,1124 3.78,1125 13.897,1126 15.137,1127 9.44,1128 28.954,1129 13.868,1130 2.172,1131 7.868,1132 24.465,1133 3.613,1134 15.133,1135 16.472,1136 10.299,1137 31.586,1138 15.114,1139 2.037,1140 5.854,1141 26.476,1142 2.997,1143 16.362,1144 17.753,1145 11.117,1146 34.216,1147 16.353,1148 1.593,1149 5.118,1150 28.492,1151 2.44,1152 17.602,1153 19.076,1154 11.967,1155 36.848,1156 17.602,1157 1.316,1158 4.082,1159 30.512,1160 2.203,1161 18.842,1162 20.374,1163 12.8,1164 39.479,1165 18.85,1166 6308,1167 10213,1168 16.296,1169 33.927,1170 38.716,1171 39.327,1172 41.151,1173 38.394,1174 38.376,1175 44.194,1176 8.794,1177 110.183,1178 36.983,1179 5.544,1180 5.996,1181 7.186,1182 5.624,1183 5.503,1184 6.393,1185 3.925,1186 21.296,1187 5.486,1188 15.607,1189 1.489,1190 1.513,1191 1.583,1192 1.477,1193 1.476,1194 1.7,1195 0.338,1196 4.238,1197 1.422,1198 3.989,1199 4.029,1200 4.223,1201 3.888,1202 7.474,1203 3.877,1204 3.806,1205 3.847,1206 3.861,1207 3.753,1208 7.428,1209 3.684,1210 3.76,1211 3.817,1212 3.623,1213 3.642,1214 6.351,1215 3.626,1216 3.545,1217 3.592,1218 3.412,1219 3.38,1220 5.008,1221 3.376,1222 3.388,1223 3.463,1224 3.247,1225 3.186,1226 4.302,1227 3.178,1228 3.185,1229 3.238,1230 3.089,1231 2.986,1232 4.223,1233 2.978,1234 3.069,1235 3.119,1236 2.896,1237 2.783,1238 4.016,1239 2.797,1240 2.878,1241 3.009,1242 2.672,1243 2.671,1244 3.832,1245 2.635,1246 0.176,1247 0.155,1248 0.293,1249 0.173,1250 0.135,1251 4.568,1252 0.145,1253 4.026,1254 0.09,1255 7.627,1256 0.535,1257 4.505,1258 0.135,1259 3.503,1260 3.78,1261 2.341,1262 13.9,1263 3.509,1264 1.858,1265 1.819,1266 2.057,1267 2.001,1268 1.442,1269 2.018,1270 1.711,1271 1.66,1272 1.926,1273 1.872,1274 1.272,1275 1.893,1276 1.594,1277 1.547,1278 1.86,1279 1.757,1280 1.211,1281 1.797,1282 1.577,1283 1.507,1284 1.837,1285 1.751,1286 1.051,1287 1.793,1288 1.453,1289 1.408,1290 1.69,1291 1.682,1292 0.973,1293 1.674,1294 1.239,1295 1.191,1296 1.417,1297 1.486,1298 0.587,1299 1.473,1300 0.998,1301 0.934,1302 1.351,1303 1.32,1304 0.469,1305 1.314,1306 0.934,1307 0.835,1308 1.305,1309 1.239,1310 0.437,1311 1.308,1312 3.97,1314 5.283,1315 3.045,1316 6.767,1317 5.283,1318 8.336,1319 7.273,1320 9.959,1322 6.187,1327 9.616,1328 6.148,1329 2.902,1332 -0.004,1334 -0.585,1340 31.244,1341 85.314,1342 153.976,1343 220.932,1344 260.499,1345 260.499,1346 260.499,1347 83.862,1348 6.339,1349 92.18,1350 120.42,1351 10,1352 12.315,1353 3,1354 2.459,1355 51.328,1356 83,1357 101,1358 0.293,1359 200.439,1360 351.66,1361 480.831,1362 3484,1364 18.449,1365 0.738,1366 0.648,1367 18.803,1368 16.194,1369 11.859,1370 0.456,1371 0.386,1372 9.21,1373 11.023,1374 8.824,1375 7.411,1376 12.267,1377 10.043,1378 10.839,1379 0.301,1380 0.238,1381 11.534,1382 8.569,1383 8.285,1384 0.188,1385 0.138,1386 9.05,1387 6.094,1388 6.231,1389 0.118,1390 0.08,1391 6.959,1392 4.246,1393 4.502,1394 0.078,1395 0.048,1396 5.015,1397 2.769,1398 0.451,1399 78.285,1400 0.248,1401 24.096,1402 0.832,1403 124,1404 356.104,1405 163.485,1406 360.448,1407 473.54,1408 332,1409 142,1410 320.761,1411 174.187,1412 336.711,1413 487.43,1414 315,1415 5.523}
{0 CHEMBL213404,1 1.293,2 10.862,3 6.111,4 37.344,5 115.29,6 6.055,7 0.194,8 4.228,9 4.363,10 3.597,11 3.769,12 5.147,13 3.696,14 4.852,15 5.049,16 3.953,17 4.228,18 5.74,19 4.106,20 5.25,21 5.509,22 4.04,23 4.414,24 6.014,25 4.254,26 5.359,27 5.633,28 4.057,29 4.41,30 6.209,31 4.26,32 5.324,33 5.58,34 4.161,35 4.433,36 6.254,37 4.306,38 5.386,39 5.621,40 4.186,41 4.49,42 6.475,43 4.355,44 5.426,45 5.702,46 3.952,47 4.504,48 6.213,49 4.303,50 5.397,51 5.715,52 3.777,53 4.386,54 6.066,55 4.153,56 0.072,57 0.885,58 16.197,59 7.136,60 9.179,61 9.863,62 0.292,63 1.517,64 29.731,65 12.518,66 44.651,67 17.718,68 0.301,69 2.028,70 43.429,71 16.494,72 34.748,73 24.056,74 0.551,75 2.12,76 49.123,77 16.391,78 74.82,79 24.309,80 0.476,81 2.079,82 47.713,83 16.629,84 67.928,85 24.082,86 0.91,87 2.182,88 51.74,89 17.753,90 148.028,91 25.343,92 0.49,93 2.273,94 51.491,95 19.226,96 77.755,97 27.859,98 0.41,99 2.095,100 48.644,101 18.383,102 60.235,103 26.936,104 24,105 42,106 0.209,107 0.461,108 0.65,109 0.821,110 0.857,111 0.857,112 3.408,113 1.124,114 -5.53,115 -5.41,116 -5.05,121 37.9,122 1,123 12,124 2,125 1,129 1,144 5,145 1,160 2,170 1,174 1,176 22,177 1,180 2,183 2,185 4,187 25,188 2,192 5,197 8,200 19,201 2,206 7,211 7,214 16,215 3,219 7,220 1,224 6,225 1,227 22,228 2,231 1,232 5,235 2,236 1,237 5,239 28,244 3,249 2,251 25,252 2,256 4,261 2,264 20,265 3,269 4,274 3,277 20,278 2,281 1383,282 19.62,283 19.62,284 19.62,285 19.62,286 19.62,287 18.57,288 18.47,289 11.887,290 19.656,291 15.253,292 15.253,293 15.253,294 15.253,295 15.253,296 13.695,297 25.238,298 5.507,299 15.298,300 4.752,301 3.189,302 2.019,303 0.962,304 0.739,305 0.739,306 4.087,312 1,313 658,314 4.301,317 88.241,318 206.424,325 1.532,326 32.821,329 0.75,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.94,337 61.5,338 315,339 4.565,340 4.027,341 7.628,342 4.507,343 3.504,344 3.671,345 2.341,346 13.901,347 3.511,348 3.989,349 3.711,350 6.179,351 3.869,352 2.881,353 3.46,354 1.907,355 9.22,356 2.847,357 3.841,358 2.998,359 5.901,360 3.652,361 2.649,362 2.999,363 0.149,364 8.059,365 2.643,366 3.714,367 2.728,368 5.332,369 3.43,370 2.435,371 2.8,373 6.916,374 2.421,375 3.065,376 2.535,377 4.895,378 2.824,379 1.822,380 2.126,382 4.975,383 1.815,384 2.894,385 2.025,386 4.269,387 2.554,388 1.553,389 1.999,391 3.68,392 1.554,393 2.655,394 1.673,395 3.962,396 2.451,397 1.449,398 1.607,400 3.143,401 1.439,402 2.5,403 1.515,404 3.649,405 2.401,406 1.402,407 1.5,409 3.055,410 1.395,411 2.44,412 1.369,413 3.618,414 2.309,415 1.31,416 1.43,418 2.892,419 1.308,420 2.421,421 1.336,422 3.578,423 2.161,424 1.145,425 1.419,427 2.563,428 1.157,429 2.263,430 1.016,431 3.551,432 2,433 1,434 1.221,436 2.136,437 1,438 1.844,439 1,440 3.247,441 1.74,442 0.735,443 0.778,445 1.464,446 0.732,447 1.618,448 0.618,449 3.152,450 1.618,451 0.618,452 0.618,454 1.37,455 0.618,456 1.344,457 0.562,458 2.888,459 1.204,460 0.205,461 0.223,463 0.496,464 0.204,465 0.962,466 0.426,467 2.738,468 0.711,469 -0.288,470 -0.313,472 -0.621,473 -0.287,474 13.9,475 0.479,476 0.634,477 0.022,478 25.75,479 0.888,480 9,481 0.31,482 16.75,483 0.578,484 37.423,485 1.29,486 34.1,487 0.517,488 17.089,489 0.589,490 3.786,491 0.131,492 10.251,493 0.353,494 0.108,495 0.036,496 0.216,501 0.719,502 1.258,503 1.023,504 1.206,505 0.621,506 1.154,507 0.393,508 1.269,509 1.022,510 1.248,511 0.377,512 1.212,513 0.753,514 1.205,515 0.998,516 1.148,517 0.727,518 1.105,519 1.377,520 0.943,521 1.045,522 0.897,523 1.338,524 0.92,525 1.334,526 1.002,527 0.989,528 0.962,529 1.355,530 0.936,531 1.53,532 1.029,533 1.189,534 1.024,535 1.597,536 1.065,537 1.044,538 1.057,539 1.133,540 1.078,541 1.006,542 1.111,543 0.671,544 0.873,545 0.87,546 0.91,547 0.668,548 0.912,549 6,550 0.147,551 3.333,552 1.687,553 1.938,554 0.941,555 0.573,556 0.51,557 0.258,558 0.169,559 9782,560 19847,561 2.025,562 56.1,563 25,564 6,567 2,568 1,569 3,572 1.725,573 1.902,574 3.407,575 0.125,582 85.329,583 1.293,584 2.855,585 4.026,586 5.082,587 5.306,588 5.306,589 2.833,590 4.237,591 4.83,592 3.545,593 1439.46,594 8.443,595 19427.8,600 398.93,601 1.459,602 4.784,603 0.194,604 0.007,605 0.079,606 0.039,607 0.045,608 0.019,609 0.012,610 0.014,611 0.008,612 0.006,613 0.423,614 0.17,615 0.88,616 1.33,617 146.367,618 -0.038,619 0.049,620 0.023,621 0.061,622 -0.01,623 0.051,624 0.202,625 -0.089,626 -0.027,627 -0.088,628 0.165,629 -0.086,630 0.009,631 -0.157,632 -0.022,633 -0.119,634 -0.01,635 -0.081,636 -0.117,637 0.06,638 -0.018,639 0.043,640 -0.119,641 0.028,642 -0.06,643 0.015,644 0.045,645 0.02,646 -0.053,647 0.043,648 0.052,649 -0.01,650 -0.116,651 -0.035,652 0.051,653 -0.089,654 -0.107,655 -0.069,656 -0.156,657 -0.09,658 -0.067,659 -0.124,660 0.014,661 0.04,662 0.053,663 0.032,664 0.014,665 0.046,666 2.412,667 6.492,668 0.586,669 26.39,670 0.985,671 1.13,672 4.3,673 18.49,674 0.622,675 3.466,676 3.761,677 4.007,678 4.22,679 4.394,680 4.369,681 4.394,682 4.466,683 4.443,684 4.382,685 6.446,686 0.57,687 399.63,688 3.466,689 4.99,690 5.826,691 6.696,692 7.559,693 8.436,694 9.309,695 10.191,696 11.069,697 11.954,698 1.5,705 1,715 5,720 1,722 6,741 66,743 8,744 1,745 31,747 68,748 25,749 6,750 1,751 5,756 3,757 3,763 1,764 1,766 1,767 9,768 1,770 13,772 8,773 17,774 2,777 2,782 2,786 2,793 37,794 4,795 2,796 4,802 1,808 1,809 3,828 1,829 2,843 1,845 1,857 1,859 3,864 1,868 29,875 1,876 12,877 1,880 3,882 1,893 4.5,895 1,896 2,901 15.25,902 11.45,903 6.597,904 4.731,907 0.984,908 1.14,909 0.904,910 8.033,911 7.993,912 3.611,913 4.016,914 4.366,915 4.688,916 5.027,917 4.893,918 4.978,919 5.179,920 5.274,921 5.323,922 1,923 43,924 10.948,926 4.719,927 0.026,929 7.664,931 21.654,933 18.751,936 2.164,937 62.75,941 411.989,942 95.421,943 18.011,945 92.973,948 95.421,949 504.962,950 18.011,951 8.825,952 48.425,953 47.381,954 98.588,955 3.186,957 411.989,959 411.989,960 113.432,961 92.973,964 376.675,965 128.287,968 57.25,969 56.181,972 411.989,973 110.984,974 95.421,977 411.989,978 39.214,979 56.206,980 18.011,981 92.973,982 411.989,983 110.984,984 95.421,986 0.567,987 0.334,988 0.181,989 0.1,990 18,991 8,992 0.132,993 9,995 1,996 3.942,997 248.969,999 17,1000 132.881,1005 22.185,1006 10.501,1007 5.768,1009 110.984,1010 10.559,1015 1.336,1017 60.694,1018 618.393,1019 36,1024 25.247,1028 -0.618,1031 64.989,1032 74.6,1034 0.214,1035 0.472,1036 0.666,1037 0.841,1038 0.878,1039 0.878,1040 4.864,1041 1.402,1042 5.82,1043 3.143,1044 4.443,1045 4.7,1046 2.748,1047 6.663,1048 4.437,1049 6.005,1050 1.31,1051 7.405,1052 3.055,1053 4.111,1054 4.388,1055 2.591,1056 7.976,1057 4.105,1058 7.291,1059 1.145,1060 9.119,1061 2.892,1062 6.098,1063 6.595,1064 4.005,1065 11.039,1066 6.087,1067 8.613,1068 1,1069 10.918,1070 2.563,1071 6.673,1072 7.101,1073 4.392,1074 13.268,1075 6.666,1076 9.978,1077 0.735,1078 12.776,1079 2.136,1080 8.139,1081 8.818,1082 5.469,1083 15.971,1084 8.129,1085 11.37,1086 0.618,1087 14.678,1088 1.464,1089 9.101,1090 9.668,1091 6.092,1092 18.483,1093 9.096,1094 12.784,1095 0.205,1096 16.61,1097 1.37,1098 10.394,1099 11.197,1100 7.032,1101 21.12,1102 10.389,1103 3.504,1104 -0.288,1105 18.565,1106 0.496,1107 11.516,1108 12.211,1109 7.767,1110 23.716,1111 11.517,1112 2.881,1113 13.901,1114 20.537,1115 -0.621,1116 12.76,1117 13.651,1118 8.649,1119 26.344,1120 12.762,1121 2.649,1122 9.22,1123 22.523,1124 3.671,1125 13.95,1126 14.755,1127 9.44,1128 28.964,1129 13.957,1130 2.435,1131 8.059,1132 24.518,1133 3.46,1134 15.184,1135 16.145,1136 10.299,1137 31.593,1138 15.195,1139 1.822,1140 6.916,1141 26.521,1142 2.999,1143 16.404,1144 17.306,1145 11.117,1146 34.221,1147 16.419,1148 1.553,1149 4.975,1150 28.531,1151 2.8,1152 17.641,1153 18.664,1154 11.967,1155 36.852,1156 17.66,1157 1.449,1158 3.68,1159 30.545,1160 2.126,1161 18.876,1162 19.864,1163 12.8,1164 39.482,1165 18.898,1166 9675,1167 13852,1168 20.455,1169 41.074,1170 45.789,1171 46.851,1172 47.881,1173 45.439,1174 45.41,1175 51.705,1176 8.794,1177 127.741,1178 45.292,1179 5.565,1180 6.027,1181 7.43,1182 5.532,1183 5.504,1184 6.671,1185 3.925,1186 21.328,1187 5.511,1188 13.949,1189 1.477,1190 1.511,1191 1.545,1192 1.466,1193 1.465,1194 1.668,1195 0.284,1196 4.121,1197 1.461,1198 4.021,1199 4.064,1200 3.926,1201 3.926,1202 7.474,1203 3.919,1204 3.924,1205 3.963,1206 3.833,1207 3.846,1208 7.428,1209 3.837,1210 3.804,1211 3.852,1212 3.686,1213 3.709,1214 6.351,1215 3.696,1216 3.705,1217 3.757,1218 3.577,1219 3.569,1220 4.754,1221 3.559,1222 3.398,1223 3.46,1224 3.241,1225 3.205,1226 4.349,1227 3.197,1228 3.344,1229 3.4,1230 3.213,1231 3.147,1232 4.244,1233 3.133,1234 3.263,1235 3.333,1236 3.087,1237 3.084,1238 4.112,1239 3.098,1240 3.071,1241 3.133,1242 2.883,1243 2.873,1244 3.796,1245 2.866,1246 0.147,1247 0.13,1248 0.246,1249 0.145,1250 0.113,1251 4.565,1252 0.118,1253 4.027,1254 0.076,1255 7.628,1256 0.448,1257 4.507,1258 0.113,1259 3.504,1260 3.671,1261 2.341,1262 13.901,1263 3.511,1264 1.965,1265 1.929,1266 2.132,1267 2.08,1268 1.526,1269 2.099,1270 1.853,1271 1.816,1272 2.028,1273 1.983,1274 1.421,1275 1.997,1276 1.808,1277 1.763,1278 1.996,1279 1.932,1280 1.211,1281 1.956,1282 1.612,1283 1.558,1284 1.86,1285 1.787,1286 1.181,1287 1.811,1288 1.577,1289 1.507,1290 1.857,1291 1.751,1292 1.151,1293 1.793,1294 1.314,1295 1.258,1296 1.593,1297 1.573,1298 0.871,1299 1.568,1300 1.297,1301 1.234,1302 1.577,1303 1.483,1304 0.821,1305 1.521,1306 1.19,1307 1.109,1308 1.502,1309 1.436,1310 0.802,1311 1.46,1312 4.143,1314 5.442,1315 2.398,1316 6.942,1317 4.595,1318 8.534,1319 6.605,1320 10.175,1322 2.021,1327 9.657,1328 11.324,1329 3.427,1332 0.276,1334 -0.479,1340 37.648,1341 85.329,1342 188.45,1343 265.703,1344 335.42,1345 350.175,1346 350.175,1347 84.911,1348 7.009,1349 66.4,1350 66.4,1351 17,1352 12.488,1353 3.17,1354 2.585,1355 52.139,1356 111,1357 114,1358 0.228,1359 232.545,1360 417.25,1361 559.169,1362 9670,1364 20.692,1365 0.714,1366 0.616,1367 20.692,1368 17.868,1369 14.038,1370 0.453,1371 0.375,1372 11.555,1373 13.771,1374 11.283,1375 9.388,1376 14.038,1377 11.616,1378 12.247,1379 0.292,1380 0.222,1381 12.247,1382 9.33,1383 9.999,1384 0.185,1385 0.134,1386 9.999,1387 7.232,1388 8.001,1389 0.119,1390 0.083,1391 8.001,1392 5.589,1393 6.349,1394 0.079,1395 0.049,1396 6.349,1397 3.9,1398 0.353,1399 86.366,1400 0.221,1401 27.317,1402 0.64,1403 146,1404 331.954,1405 154.696,1406 321.695,1407 425.75,1408 298,1409 169,1410 297.275,1411 176.979,1412 301.986,1413 437.74,1414 285,1415 5.523}
{0 CHEMBL213861,1 1.454,2 9.333,3 2.404,4 5.78,5 89.583,6 6.269,8 4.04,9 4.178,10 3.415,11 3.511,12 5.044,13 3.458,14 4.664,15 4.861,16 3.802,17 3.983,18 5.679,19 3.88,20 5.062,21 5.315,22 3.856,23 4.145,24 5.948,25 4.007,26 5.146,27 5.413,28 3.884,29 4.106,30 6.155,31 3.996,32 5.069,33 5.314,34 3.908,35 4.097,36 6.147,37 3.995,38 5.104,39 5.341,40 3.868,41 4.12,42 6.284,43 3.995,44 5.111,45 5.398,46 3.591,47 4.085,48 6.053,49 3.883,50 4.984,51 5.304,52 3.398,53 3.876,54 5.763,55 3.665,56 0.053,57 0.74,58 13.231,59 5.455,60 11.928,61 7.622,62 0.28,63 1.223,64 24.656,65 9.726,66 65.495,67 13.944,68 0.316,69 1.527,70 36.776,71 12.019,72 68.818,73 18.29,74 0.648,75 1.5,76 41.067,77 11.181,78 124.439,79 17.498,80 0.59,81 1.439,82 38.097,83 11.343,84 108.772,85 16.966,86 0.869,87 1.456,88 39.67,89 11.944,90 162.325,91 17.715,92 0.618,93 1.43,94 38.475,95 12.414,96 131.16,97 18.841,98 0.38,99 1.188,100 33.398,101 10.292,102 72.834,103 16.135,104 49,105 35,106 0.248,107 0.448,108 0.656,109 0.847,110 0.86,111 0.86,112 3.228,113 1.105,114 -3.02,115 -3.02,116 -2.91,121 33.3,122 1,123 10,124 2,125 1,129 1,160 3,165 1,166 1,167 1,170 1,174 1,176 13,177 1,180 3,182 1,183 3,185 5,187 14,188 2,189 1,192 7,197 9,200 7,201 2,203 2,206 8,211 6,214 8,215 3,216 1,219 6,220 1,222 1,223 1,224 4,225 1,226 1,227 13,228 2,231 1,232 3,235 2,236 1,237 3,239 16,243 1,244 2,246 1,247 1,249 2,251 10,252 2,253 1,256 5,261 5,264 4,265 2,266 3,269 5,274 5,277 4,279 3,281 884,282 15.637,283 15.637,284 15.637,285 15.637,286 15.637,287 15.156,288 19.387,289 9.181,290 15.656,291 12.233,292 12.233,293 12.233,294 12.233,295 12.233,296 11.423,297 28.152,298 4.17,299 12.248,300 4.301,301 3.129,302 1.911,303 0.792,304 0.718,305 0.718,306 3.88,310 1,311 1,312 1,313 451,314 4.472,317 158.139,325 1.444,326 40.315,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 53,338 224,339 4.564,340 4.027,341 7.627,342 4.506,343 3.503,344 3.67,345 2.341,346 13.9,347 3.511,348 3.954,349 3.712,350 6.003,351 3.849,352 2.849,353 3.079,354 1.907,355 8.584,356 2.847,357 3.837,358 3.658,359 5.903,360 3.654,361 2.651,362 2.994,363 1.886,364 8.064,365 2.645,366 3.395,367 2.794,368 5.308,369 3.237,370 2.249,371 2.436,372 0.149,373 6.604,374 2.209,375 2.953,376 2.533,377 4.725,378 2.691,379 1.668,380 1.943,382 4.288,383 1.695,384 2.654,385 2.025,386 3.962,387 2.443,388 1.436,389 1.607,391 3.136,392 1.428,393 2.348,394 1.757,395 3.691,396 2.259,397 1.255,398 1.31,400 2.748,401 1.254,402 2.241,403 1.369,404 3.618,405 2.044,406 1.021,407 1.148,409 2.426,410 1.035,411 1.844,412 1.016,413 3.569,414 1.735,415 0.727,416 0.774,418 1.605,419 0.726,420 1.692,421 0.782,422 3.253,423 1.662,424 0.657,425 0.669,427 1.464,428 0.659,429 1.618,430 0.618,431 3.124,432 1.618,433 0.618,434 0.618,436 1.358,437 0.618,438 0.879,439 0.438,440 2.788,441 0.677,442 -0.322,443 -0.323,445 -0.626,446 -0.321,447 0.682,448 0.377,449 2.467,450 0.608,451 -0.404,452 -0.458,454 -1.067,455 -0.404,456 0.472,457 0.11,458 1.896,459 0.105,460 -0.924,461 -0.934,463 -2,464 -0.891,465 0.457,466 -0.295,467 1.756,468 0.053,469 -1,470 -1.196,472 -2,473 -1.002,474 11.133,475 0.464,476 0.71,477 0.03,478 18.75,479 0.781,480 4.5,481 0.188,482 14.25,483 0.594,484 30.047,485 1.252,486 29.667,487 0.549,488 13.083,489 0.545,490 2.658,491 0.111,492 8.718,493 0.363,494 0.201,495 0.045,496 0.269,501 0.734,502 1.365,503 0.991,504 1.286,505 0.643,506 1.189,507 0.355,508 1.329,509 0.915,510 1.324,511 0.355,512 1.238,513 0.797,514 1.279,515 1.003,516 1.235,517 0.78,518 1.165,519 1.334,520 0.915,521 1.038,522 0.86,523 1.323,524 0.882,525 1.261,526 0.971,527 1.054,528 0.999,529 1.286,530 0.99,531 1.215,532 1,533 1.152,534 1.051,535 1.199,536 1.092,537 0.764,538 0.995,539 1.007,540 1.058,541 0.718,542 1.081,543 0.662,544 0.921,545 0.798,546 0.933,547 0.672,548 0.897,549 6.5,550 0.119,551 3.333,552 1.847,553 1.735,554 0.753,555 0.608,556 0.353,557 0.198,558 0.203,559 5375,560 13952,561 1.916,562 55.6,563 19,564 1,567 4,568 2,569 4,572 1.674,573 1.745,574 3.193,575 1.777,576 1,577 1,582 78.499,583 1.454,584 2.626,585 3.844,586 4.963,587 5.037,588 5.037,589 2.705,590 4.085,591 4.554,592 3.357,593 926.592,594 7.888,595 10869.4,597 1,599 1,600 310.764,601 1.707,602 4.473,603 0.26,604 0.013,605 0.095,606 0.054,607 0.05,608 0.021,609 0.018,610 0.015,611 0.01,612 0.013,613 0.549,614 0.17,615 1,616 1.639,617 113.333,618 -0.076,619 0.089,620 -0.004,621 0.084,622 -0.032,623 0.06,624 0.217,625 -0.064,626 0.025,627 -0.072,628 0.186,629 -0.065,630 -0.03,631 -0.211,632 -0.051,633 -0.172,634 -0.035,635 -0.122,636 -0.166,637 0.058,638 -0.016,639 0.069,640 -0.163,641 0.059,642 -0.095,643 0.048,644 -0.032,645 -0.001,646 -0.099,647 -0.004,648 0.013,649 0.002,650 -0.125,651 -0.043,652 0.025,653 -0.104,654 0.036,655 -0.055,656 -0.072,657 -0.068,658 0.065,659 -0.09,660 0.033,661 -0.053,662 0.111,663 -0.005,664 0.007,665 0.059,666 2.467,667 5.942,668 0.417,669 19.319,670 0.998,671 1.142,672 1.787,673 3.195,674 0.602,675 3.258,676 3.584,677 3.807,678 3.989,679 4.06,680 4.078,681 4.007,682 4.025,683 3.871,684 3.784,685 5.681,686 0.561,687 338.5,688 3.258,689 4.796,690 5.631,691 6.512,692 7.378,693 8.263,694 9.141,695 10.027,696 10.91,697 11.799,698 3.7,705 2,741 54,743 3,745 25,747 55,748 18,756 2,757 2,763 1,764 1,766 1,767 8,768 1,770 11,772 3,773 15,774 2,777 3,782 3,786 3,789 1,790 1,793 30,794 6,795 4,796 6,802 2,808 1,809 4,828 2,842 1,843 1,845 1,857 1,859 2,864 1,868 24,869 1,875 1,876 10,877 1,880 3,882 1,893 7.4,895 1,896 3,901 13.75,902 9.283,903 5.431,904 3.758,907 0.204,908 1.032,909 0.874,910 6.677,911 6.512,912 3.367,913 3.738,914 3.97,915 4.143,916 4.263,917 4.331,918 4.22,919 4.22,920 4.025,921 3.989,922 1,923 34,924 9.073,926 3.983,927 0.026,929 8.031,931 17.363,933 14.998,936 2.531,937 60.75,940 1,941 306.049,942 44.49,943 50.908,945 118.118,948 44.49,949 424.167,950 50.908,951 8.825,952 76.253,954 128.437,957 306.049,959 306.049,960 95.398,961 118.118,964 258.964,965 165.203,968 85.078,969 10.319,972 306.049,973 169.026,974 44.49,977 306.049,978 35.664,979 8.825,980 18.011,981 151.015,982 306.049,983 169.026,984 44.49,986 0.58,987 0.339,988 0.172,989 0.089,990 15,991 8,992 0.145,993 8,995 1,996 3.426,997 185.991,999 10,1000 106.039,1005 19.237,1006 8.33,1007 4.727,1009 169.026,1017 93.591,1018 519.564,1019 28,1024 35.752,1028 -1.112,1031 53.883,1032 61.647,1034 0.253,1035 0.456,1036 0.668,1037 0.862,1038 0.875,1039 0.875,1040 4.654,1041 1.021,1042 5.666,1043 2.748,1044 4.263,1045 4.419,1046 3.06,1047 6.541,1048 4.261,1049 5.814,1050 0.727,1051 7.284,1052 2.426,1053 4.111,1054 4.369,1055 2.848,1056 7.934,1057 4.113,1058 7.124,1059 0.657,1060 9.025,1061 1.605,1062 5.969,1063 6.252,1064 4.267,1065 10.974,1066 5.965,1067 8.468,1068 0.618,1069 10.844,1070 1.464,1071 6.661,1072 7.022,1073 4.6,1074 13.234,1075 6.665,1076 9.851,1077 -0.322,1078 12.716,1079 1.358,1080 8.059,1081 8.448,1082 5.668,1083 15.936,1084 8.059,1085 11.258,1086 -0.404,1087 14.628,1088 -0.626,1089 9.079,1090 9.526,1091 6.248,1092 18.462,1093 9.087,1094 12.685,1095 -0.924,1096 16.567,1097 -1.067,1098 10.345,1099 10.825,1100 7.175,1101 21.102,1102 10.352,1103 3.503,1104 -1,1105 18.528,1106 -2,1107 11.493,1108 12.019,1109 7.88,1110 23.703,1111 11.507,1112 2.849,1113 13.9,1114 20.506,1115 -2,1116 12.728,1117 13.289,1118 8.749,1119 26.334,1120 12.743,1121 2.651,1122 8.584,1123 22.495,1124 3.67,1125 13.929,1126 14.531,1127 9.519,1128 28.957,1129 13.95,1130 2.249,1131 8.064,1132 24.494,1133 3.079,1134 15.162,1135 15.801,1136 10.366,1137 31.588,1138 15.184,1139 1.668,1140 6.604,1141 26.5,1142 2.994,1143 16.387,1144 17.065,1145 11.172,1146 34.217,1147 16.413,1148 1.436,1149 4.288,1150 28.513,1151 2.436,1152 17.625,1153 18.34,1154 12.013,1155 36.848,1156 17.653,1157 1.255,1158 3.136,1159 30.529,1160 1.943,1161 18.862,1162 19.617,1163 12.837,1164 39.479,1165 18.894,1166 5599,1167 9072,1168 15.603,1169 32.489,1170 37.559,1171 38.634,1172 39.966,1173 37.305,1174 37.267,1175 40.497,1176 12.566,1177 108.356,1178 37.254,1179 5.564,1180 5.98,1181 7.39,1182 5.547,1183 5.503,1184 5.67,1185 3.925,1186 21.296,1187 5.481,1188 15.159,1189 1.502,1190 1.545,1191 1.599,1192 1.492,1193 1.491,1194 1.62,1195 0.503,1196 4.334,1197 1.49,1198 4.001,1199 4.045,1200 3.905,1201 3.888,1202 7.474,1203 3.884,1204 3.877,1205 3.925,1206 3.765,1207 3.765,1208 7.437,1209 3.757,1210 3.706,1211 3.758,1212 3.58,1213 3.569,1214 7.427,1215 3.559,1216 3.417,1217 3.475,1218 3.321,1219 3.206,1220 6.351,1221 3.204,1222 3.382,1223 3.436,1224 3.218,1225 3.119,1226 4.883,1227 3.153,1228 3.219,1229 3.267,1230 3.107,1231 2.947,1232 4.336,1233 2.98,1234 2.965,1235 3.022,1236 2.792,1237 2.692,1238 4.225,1239 2.69,1240 2.869,1241 2.979,1242 2.583,1243 2.671,1244 4.111,1245 2.635,1246 0.183,1247 0.161,1248 0.305,1249 0.18,1250 0.14,1251 4.564,1252 0.147,1253 4.027,1254 0.094,1255 7.627,1256 0.556,1257 4.506,1258 0.14,1259 3.503,1260 3.67,1261 2.341,1262 13.9,1263 3.511,1264 1.846,1265 1.809,1266 2.031,1267 1.994,1268 1.426,1269 2.004,1270 1.669,1271 1.622,1272 1.884,1273 1.861,1274 1.223,1275 1.867,1276 1.644,1277 1.591,1278 1.862,1279 1.834,1280 1.216,1281 1.843,1282 1.577,1283 1.507,1284 1.86,1285 1.751,1286 1.211,1287 1.793,1288 1.547,1289 1.483,1290 1.804,1291 1.717,1292 1.166,1293 1.752,1294 1.296,1295 1.246,1296 1.572,1297 1.554,1298 0.807,1299 1.549,1300 1.01,1301 0.93,1302 1.303,1303 1.391,1304 0.412,1305 1.38,1306 0.845,1307 0.782,1308 1.209,1309 1.194,1310 0.166,1311 1.178,1312 3.932,1314 5.252,1315 3.045,1316 6.751,1317 5.283,1318 8.337,1319 7.286,1320 9.973,1322 1.972,1326 5.355,1327 9.458,1328 7.405,1329 3.093,1332 -0.621,1334 -0.553,1340 30.277,1341 78.499,1342 141.823,1343 207.57,1344 268.009,1345 272.009,1346 272.009,1347 92.261,1348 6.308,1349 109.49,1350 109.49,1351 10,1352 12.33,1353 2,1354 2,1355 48.168,1356 78,1357 82,1358 0.298,1359 189.437,1360 344.48,1361 453.987,1362 3345,1364 17.742,1365 0.739,1366 0.606,1367 17.742,1368 14.552,1369 11.376,1370 0.455,1371 0.368,1372 9.123,1373 10.997,1374 8.925,1375 7.395,1376 11.376,1377 9.208,1378 10.386,1379 0.297,1380 0.217,1381 10.386,1382 7.598,1383 8.127,1384 0.185,1385 0.133,1386 8.127,1387 5.836,1388 6.224,1389 0.117,1390 0.083,1391 6.224,1392 4.418,1393 4.423,1394 0.078,1395 0.046,1396 4.423,1397 2.603,1398 0.457,1399 71.261,1400 0.253,1401 23.185,1402 0.848,1403 120,1404 337.001,1405 131.938,1406 317.919,1407 403.94,1408 290,1409 139,1410 270.756,1411 149.306,1412 270.723,1413 390.78,1414 254,1415 5.523}
{0 CHEMBL213944,1 1.453,2 11.667,3 3.362,4 11.3,5 116.369,6 6.843,7 0.188,8 4.156,9 4.278,10 3.63,11 3.689,12 5.224,13 3.648,14 4.727,15 4.906,16 3.991,17 4.114,18 5.797,19 4.036,20 5.079,21 5.304,22 4.073,23 4.279,24 6.052,25 4.17,26 5.192,27 5.439,28 4.065,29 4.255,30 6.227,31 4.159,32 5.135,33 5.364,34 4.153,35 4.273,36 6.248,37 4.194,38 5.189,39 5.401,40 4.154,41 4.294,42 6.451,43 4.207,44 5.161,45 5.413,46 3.907,47 4.221,48 6.234,49 4.086,50 5.019,51 5.3,52 3.743,53 4.073,54 5.936,55 3.921,56 0.035,57 0.825,58 13.364,59 5.925,60 10.714,61 7.94,62 0.288,63 1.365,64 24.83,65 10.139,66 53.422,67 14.153,68 0.262,69 1.767,70 36.697,71 13.685,72 60.659,73 19.334,74 0.595,75 1.838,76 43.112,77 13.474,78 117.387,79 19.306,80 0.532,81 1.781,82 40.035,83 13.378,84 92.527,85 18.822,86 0.842,87 1.816,88 42.786,89 14.123,90 167.9,91 19.408,92 0.666,93 1.781,94 41.709,95 13.451,96 132.192,97 19.395,98 0.337,99 1.546,100 35.74,101 12.218,102 65.349,103 17.999,104 33,105 44,106 0.237,107 0.56,108 0.734,109 0.845,110 0.853,111 0.853,112 3.44,113 1.005,114 -4.46,115 -4.39,116 -4.14,121 40,122 1,123 7,124 1,125 1,127 1,137 2,139 1,140 1,144 5,145 1,160 3,170 1,174 1,176 17,177 1,179 1,180 5,183 2,185 3,187 17,188 2,192 9,195 1,197 6,200 10,201 2,206 9,211 5,214 8,215 3,218 1,219 9,220 1,222 1,224 5,225 1,227 12,228 2,231 1,232 8,235 2,236 1,237 5,239 14,243 1,244 7,249 3,251 10,252 1,256 7,257 1,261 2,264 8,265 1,268 1,269 7,272 1,274 1,277 13,281 1490,282 20.068,283 20.068,284 20.068,285 20.068,286 20.068,287 18.55,288 23.053,289 11.999,290 20.177,291 15.727,292 15.727,293 15.727,294 15.727,295 15.727,296 13.313,297 32.407,298 5.567,299 15.88,300 4.454,301 2.474,302 1.407,303 0.725,304 0.679,305 0.679,306 4.118,311 1,312 1,313 730,314 4.359,317 96.334,318 223.908,325 1.689,326 40.535,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 65,338 350,339 4.568,340 4.027,341 7.627,342 4.506,343 3.503,344 3.696,345 2.341,346 13.9,347 3.511,348 4.182,349 3.712,350 6.114,351 3.869,352 2.905,353 3.527,354 1.907,355 8.982,356 2.795,357 3.875,358 3.637,359 5.904,360 3.656,361 2.653,362 3.373,363 1.23,364 8.07,365 2.646,366 3.834,367 2.793,368 5.375,369 3.461,370 2.467,371 2.996,372 0.521,373 7.042,374 2.452,375 3.539,376 2.752,377 5.254,378 3.196,379 2.216,380 2.699,381 0.149,382 6.521,383 2.162,384 2.984,385 2.454,386 4.718,387 2.655,388 1.635,389 2.122,391 4.243,392 1.658,393 2.981,394 2.025,395 4.187,396 2.562,397 1.565,398 1.976,400 3.846,401 1.553,402 2.754,403 1.965,404 3.962,405 2.441,406 1.434,407 1.729,409 3.133,410 1.427,411 2.654,412 1.469,413 3.618,414 2.288,415 1.305,416 1.607,418 2.966,419 1.278,420 2.5,421 1.369,422 3.588,423 2.206,424 1.195,425 1.5,427 2.614,428 1.203,429 2.289,430 1.017,431 3.578,432 2,433 1,434 1.263,436 2.136,437 1,438 1.983,439 1,440 3.247,441 1.743,442 0.738,443 0.784,445 1.464,446 0.735,447 1.843,448 0.96,449 3.186,450 1.618,451 0.618,452 0.618,454 1.376,455 0.618,456 1.618,457 0.618,458 2.93,459 1.324,460 0.297,461 0.447,463 0.696,464 0.301,465 1.204,466 0.451,467 2.869,468 0.871,469 -0.109,470 -0.131,472 -0.286,473 -0.106,474 14.133,475 0.471,476 0.741,477 0.025,478 31.75,479 1.058,480 13.5,481 0.45,482 18.25,483 0.608,484 31.784,485 1.059,486 33.867,487 0.564,488 25.608,489 0.854,490 5.822,491 0.194,492 8.609,493 0.287,494 0.13,495 0.035,496 0.241,501 0.694,502 1.301,503 0.876,504 1.147,505 0.595,506 1.054,507 0.437,508 1.21,509 0.895,510 1.15,511 0.415,512 1.102,513 0.79,514 1.22,515 0.973,516 1.183,517 0.791,518 1.119,519 1.371,520 0.939,521 1.042,522 0.867,523 1.342,524 0.89,525 1.167,526 0.962,527 0.956,528 0.934,529 1.167,530 0.91,531 1.353,532 1.033,533 1.113,534 1.011,535 1.407,536 1.028,537 1.196,538 0.972,539 1.139,540 0.954,541 1.111,542 1.02,543 0.762,544 0.942,545 0.902,546 0.959,547 0.672,548 0.944,549 7,550 0.176,551 3.556,552 2,553 2.049,554 0.996,555 0.725,556 0.489,557 0.341,558 0.246,559 11049,560 28171,561 2.004,562 50,563 17,564 9,565 1,567 2,568 1,572 1.731,573 1.865,574 3.507,575 0.177,577 1,582 87.168,583 1.453,584 3.433,585 4.5,586 5.182,587 5.228,588 5.228,589 2.921,590 4.307,591 4.879,592 3.656,593 1590.51,594 8.528,595 22214.2,597 1,600 354.413,601 1.549,602 4.824,603 0.219,604 0.007,605 0.081,606 0.044,607 0.047,608 0.02,609 0.015,610 0.014,611 0.011,612 0.008,613 0.466,614 0.17,615 1,616 1.346,617 154.124,618 -0.044,619 -0.056,620 0.023,621 0.017,622 -0.026,623 0.027,624 0.204,625 -0.058,626 0.019,627 -0.058,628 0.151,629 -0.053,630 0.003,631 -0.184,632 -0.024,633 -0.161,634 -0.016,635 -0.108,636 -0.166,637 0.046,638 -0.019,639 0.068,640 -0.146,641 0.053,642 -0.032,643 0.052,644 0.05,645 0.037,646 -0.04,647 0.055,648 0.018,649 -0.048,650 -0.081,651 -0.037,652 0.004,653 -0.074,654 -0.107,655 0.009,656 -0.135,657 -0.009,658 -0.049,659 -0.065,660 -0.004,661 0.016,662 0.062,663 -0.004,664 0.036,665 0.039,666 2.493,667 6.262,668 0.567,669 29.533,670 0.998,671 1.127,672 3.235,673 10.465,674 0.641,675 3.497,676 3.807,677 4.043,678 4.248,679 4.431,680 4.407,681 4.431,682 4.522,683 4.511,684 4.522,685 6.869,686 0.605,687 410.56,688 3.497,689 5.03,690 5.866,691 6.739,692 7.601,693 8.479,694 9.352,695 10.233,696 11.11,697 11.994,698 3.3,705 2,715 5,720 1,722 6,741 60,743 11,744 1,745 32,747 62,748 24,749 6,750 1,751 5,752 5,756 3,757 3,763 1,764 1,766 1,767 4,770 7,772 13,773 11,774 1,777 5,782 3,784 3,786 4,790 1,793 30,794 6,795 2,796 6,802 2,808 1,809 4,828 1,829 2,843 1,844 1,845 1,849 3,857 1,859 3,864 1,868 30,875 1,876 8,877 1,880 1,881 1,882 1,893 6.7,895 1,896 3,901 16.083,902 10.65,903 6.764,904 3.968,907 1.664,908 1.235,909 0.918,910 7.493,911 8.74,912 3.714,913 4.167,914 4.572,915 4.932,916 5.354,917 5.349,918 5.538,919 5.845,920 6.079,921 6.244,922 0.875,923 45,924 11.261,926 4.877,927 0.026,929 7.914,931 21.411,933 17.883,936 2.414,937 72.417,939 1,940 1,941 329.591,942 120.315,943 21.135,945 118.118,948 120.315,949 447.709,950 21.135,951 8.825,952 50.03,953 66.334,954 131.194,955 3.186,956 11.771,957 317.82,959 329.591,960 141.45,961 118.118,964 329.591,965 118.118,968 49.808,969 69.933,970 21.709,972 329.591,973 139.253,974 120.315,977 329.591,978 36.109,979 87.331,980 18.011,981 118.118,982 329.591,983 139.253,984 120.315,986 0.574,987 0.336,988 0.177,989 0.098,990 19,991 9,992 0.145,993 9,995 1,996 4.028,997 259.24,999 17,1000 139.207,1005 22.299,1006 10.08,1007 5.616,1009 139.253,1010 9.666,1015 0.999,1017 60.694,1018 589.159,1019 40,1024 37.207,1026 4.735,1028 -0.537,1031 59.883,1032 67.647,1034 0.246,1035 0.581,1036 0.762,1037 0.877,1038 0.885,1039 0.885,1040 4.966,1041 1.434,1042 5.872,1043 3.846,1044 4.489,1045 4.852,1046 2.946,1047 6.715,1048 4.47,1049 6.145,1050 1.305,1051 7.461,1052 3.133,1053 4.205,1054 4.59,1055 2.619,1056 8.007,1057 4.182,1058 7.446,1059 1.195,1060 9.172,1061 2.966,1062 6.151,1063 6.83,1064 4.076,1065 11.061,1066 6.111,1067 8.781,1068 1,1069 10.965,1070 2.614,1071 6.735,1072 7.341,1073 4.406,1074 13.269,1075 6.701,1076 10.153,1077 0.738,1078 12.814,1079 2.136,1080 8.182,1081 9.088,1082 5.491,1083 15.971,1084 8.136,1085 11.548,1086 0.618,1087 14.706,1088 1.464,1089 9.139,1090 9.937,1091 6.097,1092 18.479,1093 9.104,1094 12.962,1095 0.297,1096 16.63,1097 1.376,1098 10.423,1099 11.48,1100 7.038,1101 21.116,1102 10.384,1103 3.503,1104 -0.109,1105 18.578,1106 0.696,1107 11.54,1108 12.499,1109 7.769,1110 23.711,1111 11.512,1112 2.905,1113 13.9,1114 20.545,1115 -0.286,1116 12.779,1117 13.94,1118 8.651,1119 26.34,1120 12.751,1121 2.653,1122 8.982,1123 22.526,1124 3.696,1125 13.965,1126 15.054,1127 9.441,1128 28.961,1129 13.947,1130 2.467,1131 8.07,1132 24.519,1133 3.527,1134 15.196,1135 16.438,1136 10.299,1137 31.591,1138 15.182,1139 2.216,1140 7.042,1141 26.52,1142 3.373,1143 16.413,1144 17.61,1145 11.118,1146 34.219,1147 16.407,1148 1.635,1149 6.521,1150 28.528,1151 2.996,1152 17.648,1153 18.96,1154 11.968,1155 36.849,1156 17.648,1157 1.565,1158 4.243,1159 30.542,1160 2.699,1161 18.88,1162 20.17,1163 12.8,1164 39.48,1165 18.887,1166 10924,1167 17560,1168 20.86,1169 38.489,1170 48.209,1171 49.214,1172 49.817,1173 47.133,1174 47.063,1175 56.677,1176 12.297,1177 133.978,1178 46.678,1179 5.538,1180 6.027,1181 7.429,1182 5.548,1183 5.503,1184 6.696,1185 3.925,1186 21.294,1187 5.511,1188 16.035,1189 1.507,1190 1.538,1191 1.557,1192 1.473,1193 1.471,1194 1.771,1195 0.384,1196 4.187,1197 1.459,1198 4.008,1199 4.047,1200 3.932,1201 3.901,1202 7.474,1203 3.9,1204 3.92,1205 3.957,1206 3.837,1207 3.841,1208 7.43,1209 3.834,1210 3.795,1211 3.83,1212 3.729,1213 3.68,1214 7.426,1215 3.689,1216 3.704,1217 3.756,1218 3.578,1219 3.568,1220 6.351,1221 3.558,1222 3.396,1223 3.455,1224 3.259,1225 3.202,1226 4.76,1227 3.195,1228 3.328,1229 3.366,1230 3.216,1231 3.072,1232 4.563,1233 3.104,1234 3.166,1235 3.23,1236 3.026,1237 3.017,1238 4.275,1239 3.014,1240 3.022,1241 3.052,1242 2.918,1243 2.807,1244 4.112,1245 2.825,1246 0.143,1247 0.126,1248 0.238,1249 0.141,1250 0.109,1251 4.568,1252 0.116,1253 4.027,1254 0.073,1255 7.627,1256 0.434,1257 4.506,1258 0.11,1259 3.503,1260 3.696,1261 2.341,1262 13.9,1263 3.511,1264 1.925,1265 1.894,1266 2.049,1267 2.044,1268 1.424,1269 2.043,1270 1.85,1271 1.814,1272 2.028,1273 1.984,1274 1.211,1275 1.998,1276 1.759,1277 1.725,1278 1.895,1279 1.902,1280 1.185,1281 1.905,1282 1.605,1283 1.552,1284 1.86,1285 1.776,1286 1.171,1287 1.798,1288 1.577,1289 1.507,1290 1.835,1291 1.751,1292 0.936,1293 1.793,1294 1.303,1295 1.253,1296 1.574,1297 1.567,1298 0.807,1299 1.557,1300 1.187,1301 1.12,1302 1.447,1303 1.402,1304 0.624,1305 1.414,1306 1.063,1307 1.018,1308 1.26,1309 1.322,1310 0.412,1311 1.313,1312 4.174,1314 5.485,1315 2.398,1316 6.989,1317 4.595,1318 8.584,1319 6.605,1320 10.226,1322 1.966,1327 9.588,1328 5.411,1329 2.973,1332 -0.508,1333 1.573,1334 -0.654,1340 36.277,1341 87.168,1342 205.959,1343 269.991,1344 310.904,1345 313.659,1346 313.659,1347 90.715,1348 7.076,1349 88.4,1350 88.4,1351 17,1352 12.529,1353 3.585,1354 3.17,1355 55.145,1356 124,1357 124,1358 0.217,1359 224.961,1360 411.82,1361 540.664,1362 10279,1364 21.562,1365 0.719,1366 0.582,1367 21.562,1368 17.472,1369 14.431,1370 0.451,1371 0.335,1372 10.62,1373 14.002,1374 10.368,1375 8.636,1376 14.431,1377 10.721,1378 12.859,1379 0.292,1380 0.19,1381 12.859,1382 8.339,1383 10.435,1384 0.186,1385 0.109,1386 10.435,1387 6.103,1388 8.197,1389 0.119,1390 0.065,1391 8.197,1392 4.481,1393 6.553,1394 0.079,1395 0.035,1396 6.553,1397 2.873,1398 0.34,1399 89.882,1400 0.219,1401 28.28,1402 0.598,1403 152,1404 433.334,1405 165.325,1406 416.271,1407 547.42,1408 384,1409 176,1410 383.362,1411 188.831,1412 388.164,1413 561.94,1414 364,1415 5.523}
{0 CHEMBL213964,1 1.58,2 10.12,3 4.131,4 17.067,5 99.946,6 6.807,7 0.192,8 4.041,9 4.173,10 3.551,11 3.562,12 5.054,13 3.485,14 4.637,15 4.837,16 3.964,17 3.989,18 5.619,19 3.872,20 4.962,21 5.206,22 3.907,23 4.128,24 5.84,25 3.97,26 5.092,27 5.36,28 4.041,29 4.13,30 6.076,31 3.995,32 4.974,33 5.199,34 4.065,35 4.112,36 6.075,37 3.998,38 5.011,39 5.235,40 4.003,41 4.068,42 6.255,43 3.939,44 4.875,45 5.128,46 3.657,47 3.916,48 5.888,49 3.754,50 4.684,51 4.957,52 3.594,53 3.739,54 5.668,55 3.565,56 0.063,57 0.776,58 13.524,59 5.696,60 10.33,61 7.547,62 0.293,63 1.265,64 26.68,65 9.302,66 49.516,67 13.371,68 0.266,69 1.512,70 36.771,71 12.584,72 44.444,73 17.436,74 0.615,75 1.567,76 43.538,77 12.302,78 96.255,79 17.5,80 0.482,81 1.525,82 41.212,83 11.579,84 72.857,85 15.691,86 0.88,87 1.495,88 43.449,89 11.266,90 143.255,91 15.356,92 0.569,93 1.301,94 37.162,95 9.604,96 81.925,97 13.559,98 0.443,99 1.058,100 30.594,101 8.592,102 57.92,103 12.213,104 52,105 36,106 0.268,107 0.484,108 0.694,109 0.818,110 0.818,111 0.818,112 3.267,113 1.159,114 -4.41,115 -4.34,116 -4.1,121 33.3,122 3,123 8,124 2,125 1,160 2,163 1,164 1,168 1,170 1,174 1,176 13,177 1,180 5,183 3,185 3,187 15,188 2,192 7,195 1,197 5,200 8,201 2,205 1,206 10,211 6,214 9,215 3,218 1,219 10,220 1,224 5,225 1,227 8,228 2,231 1,232 10,235 2,236 1,237 5,239 8,244 6,245 1,249 1,251 7,252 1,255 1,256 5,257 1,259 1,261 1,264 9,268 1,269 2,272 1,277 11,278 1,281 989,282 16.292,283 16.292,284 16.292,285 16.292,286 16.292,287 15.399,288 18.47,289 9.691,290 16.61,291 12.765,292 12.765,293 12.765,294 12.765,295 12.765,296 11.335,297 25.238,298 4.46,299 13.299,300 4.175,301 2.903,302 1.664,303 0.931,304 0.931,305 0.931,306 3.92,311 1,312 1,313 509,314 4.583,317 166.194,325 1.504,326 33.758,328 1,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 54.5,338 253,339 4.568,340 4.026,341 7.627,342 4.505,343 3.503,344 3.784,345 2.341,346 13.9,347 3.509,348 4.116,349 3.711,350 5.905,351 3.67,352 2.764,353 3.615,354 1.907,355 8.121,356 2.647,357 3.836,358 2.926,359 5.693,360 3.62,361 2.646,362 2.995,363 0.149,364 7.97,365 2.437,366 3.384,367 2.719,368 5.142,369 3.197,370 2.244,371 2.518,373 6.277,374 2.114,375 3.034,376 2.3,377 4.714,378 2.801,379 1.827,380 2.053,382 4.618,383 1.767,384 2.798,385 2.024,386 4.302,387 2.493,388 1.53,389 1.819,391 3.882,392 1.456,393 2.654,394 1.781,395 3.962,396 2.433,397 1.431,398 1.607,400 3.131,401 1.411,402 2.286,403 1.369,404 3.618,405 2.174,406 1.172,407 1.259,409 2.596,410 1.163,411 2.199,412 1.016,413 3.584,414 1.744,415 0.754,416 1.056,418 1.73,419 0.737,420 1.845,421 0.815,422 3.283,423 1.624,424 0.7,425 0.776,427 1.464,428 0.632,429 1.618,430 0.618,431 3.14,432 1.618,433 0.618,434 0.618,436 1.359,437 0.618,438 1.054,439 0.439,440 2.829,441 0.705,442 -0.216,443 -0.247,445 -0.567,446 -0.195,447 0.749,448 0.381,449 2.468,450 0.67,451 -0.328,452 -0.33,454 -0.65,455 -0.328,456 0.682,457 -0.137,458 2.38,459 0.458,460 -0.515,461 -0.631,463 -1.37,464 -0.494,465 0.472,466 -0.301,467 1.858,468 0.105,469 -0.924,470 -0.935,472 -2,473 -0.891,474 12.033,475 0.481,476 0.727,477 0.029,478 22.25,479 0.89,480 7.5,481 0.3,482 14.75,483 0.59,484 31.251,485 1.25,486 29.967,487 0.555,488 13.989,489 0.56,490 3.145,491 0.126,492 8.714,493 0.349,494 0.208,495 0.042,496 0.249,501 0.694,502 1.293,503 0.87,504 1.136,505 0.632,506 1.142,507 0.332,508 1.274,509 0.769,510 1.155,511 0.368,512 1.099,513 0.757,514 1.215,515 0.971,516 1.178,517 0.797,518 1.145,519 1.252,520 0.873,521 0.844,522 0.781,523 1.336,524 0.798,525 1.4,526 1.141,527 1.267,528 1.152,529 1.359,530 1.011,531 1.588,532 1.082,533 1.382,534 1.108,535 1.553,536 1.055,537 1.659,538 0.962,539 1.409,540 1.02,541 1.526,542 1.044,543 0.838,544 0.956,545 0.986,546 1.035,547 0.845,548 0.982,549 7,550 0.126,551 2.889,552 2.069,553 1.565,554 0.969,555 0.567,556 0.322,557 0.235,558 0.189,559 6160,560 15415,561 1.919,562 53.7,563 24,567 2,568 3,572 1.684,573 1.754,574 3.287,575 0.312,577 1,582 85.314,583 1.58,584 2.851,585 4.091,586 4.824,587 4.824,588 4.824,589 2.744,590 4.134,591 4.611,592 3.462,593 1038.74,594 7.997,595 12651.7,597 1,599 1,600 310.764,601 1.682,602 4.536,603 0.269,604 0.01,605 0.08,606 0.061,607 0.042,608 0.025,609 0.017,610 0.013,611 0.011,612 0.01,613 0.538,614 0.17,615 1,616 1.71,617 120.456,619 0.047,620 0.052,621 0.06,622 -0.011,623 0.026,624 0.29,625 -0.106,626 0.174,627 -0.031,628 0.202,629 0.007,630 0.014,631 -0.184,632 -0.035,633 -0.148,634 -0.019,635 -0.11,636 -0.067,637 0.067,638 0.126,639 0.139,640 -0.098,641 0.144,642 -0.128,643 -0.051,644 -0.082,645 -0.058,646 -0.074,647 -0.023,648 -0.032,649 -0.031,650 -0.175,651 -0.059,652 0.024,653 -0.113,654 -0.335,655 0.073,656 -0.272,657 -0.021,658 -0.235,659 -0.112,660 0.086,661 0.031,662 0.054,663 -0.036,664 0.057,665 -0.009,666 2.462,667 5.965,668 0.4,669 21.747,670 0.997,671 1.138,672 3.183,673 10.132,674 0.628,675 3.296,676 3.611,677 3.807,678 4.025,679 4.078,680 4.111,681 4.094,682 4.043,683 3.951,684 3.892,685 6.039,686 0.579,687 367.57,688 3.296,689 4.828,690 5.652,691 6.532,692 7.388,693 8.274,694 9.143,695 10.031,696 10.907,697 11.796,698 5.6,705 1,708 2,716 2,719 1,720 2,722 5,741 54,743 7,745 26,747 55,748 18,749 2,756 2,757 2,763 3,764 1,766 1,767 4,770 8,772 4,773 14,774 2,777 2,782 2,786 2,790 1,793 29,794 6,795 2,796 7,797 1,802 3,808 1,809 3,828 2,843 1,845 1,857 1,859 2,862 1,864 3,868 25,875 1,876 8,877 1,880 2,882 1,893 5.6,895 1,896 2,901 14.25,902 10.267,903 5.653,904 3.794,907 0.886,908 1.138,909 0.879,910 7.36,911 7.287,912 3.45,913 3.897,914 4.247,915 4.645,916 4.746,917 4.918,918 5.067,919 5.028,920 5.076,921 5.114,922 0.857,923 34,924 9.388,926 3.986,927 0.026,929 7.857,931 18.068,933 15.031,936 2.357,937 58.917,939 1,940 1,941 317.82,942 85.074,943 51.337,945 92.973,947 31.278,948 53.797,949 410.793,950 51.337,951 26.476,952 38.287,954 132.843,955 0.501,957 349.097,959 317.82,960 105.133,961 92.973,962 31.278,964 317.82,965 92.973,968 66.193,969 5.615,970 33.326,971 31.278,972 317.82,973 144.31,974 85.074,977 317.82,978 58.599,979 26.476,980 18.011,981 126.299,982 317.82,983 144.31,984 85.074,986 0.575,987 0.322,988 0.174,989 0.089,990 15,991 8,992 0.164,993 9,995 1,996 3.543,997 194.83,999 10,1000 110.096,1001 1,1005 20.288,1006 9.069,1007 5.473,1009 144.31,1011 8.22,1014 1.412,1015 1.439,1017 60.694,1018 547.204,1019 30.5,1024 24.52,1028 -0.879,1031 53.851,1032 61.441,1034 0.275,1035 0.495,1036 0.711,1037 0.838,1038 0.838,1039 0.838,1040 4.712,1041 1.172,1042 5.68,1043 3.131,1044 4.29,1045 4.58,1046 2.748,1047 6.538,1048 4.221,1049 5.891,1050 0.754,1051 7.281,1052 2.596,1053 4.111,1054 4.477,1055 2.591,1056 7.906,1057 4.033,1058 7.201,1059 0.7,1060 9.006,1061 1.73,1062 5.974,1063 6.561,1064 4.005,1065 10.948,1066 5.864,1067 8.547,1068 0.618,1069 10.813,1070 1.464,1071 6.635,1072 7.266,1073 4.392,1074 13.21,1075 6.543,1076 9.931,1077 -0.216,1078 12.678,1079 1.359,1080 8.04,1081 8.875,1082 5.469,1083 15.917,1084 7.934,1085 11.34,1086 -0.328,1087 14.586,1088 -0.567,1089 9.046,1090 9.912,1091 6.092,1092 18.449,1093 8.967,1094 12.768,1095 -0.515,1096 16.526,1097 -0.65,1098 10.317,1099 11.347,1100 7.032,1101 21.092,1102 10.238,1103 3.503,1104 -0.924,1105 18.489,1106 -1.37,1107 11.462,1108 12.531,1109 7.767,1110 23.697,1111 11.406,1112 2.764,1113 13.9,1114 20.47,1115 -2,1116 12.7,1117 13.896,1118 8.649,1119 26.33,1120 12.652,1121 2.646,1122 8.121,1123 22.464,1124 3.784,1125 13.903,1126 15.146,1127 9.44,1128 28.955,1129 13.871,1130 2.244,1131 7.97,1132 24.467,1133 3.615,1134 15.139,1135 16.482,1136 10.299,1137 31.586,1138 15.115,1139 1.827,1140 6.277,1141 26.478,1142 2.995,1143 16.366,1144 17.764,1145 11.117,1146 34.216,1147 16.354,1148 1.53,1149 4.618,1150 28.494,1151 2.518,1152 17.606,1153 19.088,1154 11.967,1155 36.848,1156 17.603,1157 1.431,1158 3.882,1159 30.513,1160 2.053,1161 18.846,1162 20.386,1163 12.8,1164 39.479,1165 18.85,1166 6404,1167 10277,1168 16.296,1169 33.927,1170 38.87,1171 39.751,1172 41.137,1173 38.434,1174 38.377,1175 44.198,1176 8.794,1177 110.099,1178 36.983,1179 5.537,1180 5.98,1181 7.39,1182 5.63,1183 5.503,1184 6.4,1185 3.925,1186 21.295,1187 5.478,1188 15.737,1189 1.495,1190 1.529,1191 1.582,1192 1.478,1193 1.476,1194 1.7,1195 0.338,1196 4.235,1197 1.422,1198 3.988,1199 4.028,1200 4.226,1201 3.889,1202 7.474,1203 3.876,1204 3.833,1205 3.876,1206 3.857,1207 3.775,1208 7.428,1209 3.718,1210 3.707,1211 3.759,1212 3.581,1213 3.569,1214 6.351,1215 3.56,1216 3.572,1217 3.638,1218 3.461,1219 3.445,1220 5.007,1221 3.408,1222 3.392,1223 3.45,1224 3.222,1225 3.199,1226 4.285,1227 3.189,1228 3.253,1229 3.288,1230 3.19,1231 3.004,1232 4.209,1233 3.033,1234 2.958,1235 3.009,1236 2.796,1237 2.671,1238 4.112,1239 2.682,1240 2.874,1241 3.007,1242 2.583,1243 2.663,1244 3.814,1245 2.635,1246 0.176,1247 0.155,1248 0.293,1249 0.173,1250 0.135,1251 4.568,1252 0.146,1253 4.026,1254 0.09,1255 7.627,1256 0.535,1257 4.505,1258 0.135,1259 3.503,1260 3.784,1261 2.341,1262 13.9,1263 3.509,1264 1.842,1265 1.806,1266 2.028,1267 1.987,1268 1.424,1269 1.999,1270 1.739,1271 1.687,1272 1.977,1273 1.889,1274 1.257,1275 1.926,1276 1.622,1277 1.569,1278 1.86,1279 1.806,1280 1.211,1281 1.823,1282 1.577,1283 1.507,1284 1.86,1285 1.751,1286 1.181,1287 1.793,1288 1.333,1289 1.295,1290 1.577,1291 1.588,1292 0.807,1293 1.576,1294 1.26,1295 1.227,1296 1.417,1297 1.484,1298 0.653,1299 1.463,1300 1.16,1301 1.077,1302 1.408,1303 1.389,1304 0.469,1305 1.425,1306 0.934,1307 0.804,1308 1.305,1309 1.239,1310 0.416,1311 1.308,1312 3.97,1314 5.283,1315 3.045,1316 6.767,1317 5.283,1318 8.34,1319 7.273,1320 9.967,1322 6.217,1327 9.486,1328 6.135,1329 2.918,1332 0.03,1334 -0.581,1340 31.244,1341 85.314,1342 153.976,1343 220.932,1344 260.499,1345 260.499,1346 260.499,1347 83.478,1348 6.4,1349 92.18,1350 120.42,1351 10,1352 12.329,1353 3,1354 2.459,1355 51.478,1356 87,1357 96,1358 0.287,1359 200.439,1360 351.66,1361 480.831,1362 3872,1364 18.449,1365 0.738,1366 0.648,1367 18.803,1368 16.194,1369 11.859,1370 0.456,1371 0.386,1372 9.21,1373 11.023,1374 8.82,1375 7.429,1376 12.267,1377 10.043,1378 10.878,1379 0.302,1380 0.24,1381 11.573,1382 8.631,1383 8.057,1384 0.183,1385 0.132,1386 8.761,1387 5.797,1388 6.565,1389 0.119,1390 0.084,1391 7.424,1392 4.621,1393 4.536,1394 0.078,1395 0.046,1396 5.096,1397 2.692,1398 0.444,1399 78.285,1400 0.248,1401 24.166,1402 0.802,1403 124,1404 356.104,1405 163.485,1406 360.617,1407 473.62,1408 332,1409 142,1410 320.761,1411 174.187,1412 337.109,1413 488.43,1414 315,1415 5.523}
{0 CHEMBL214160,1 1.701,2 7.762,3 2.495,4 6.228,5 81.729,6 7.415,7 0.227,8 3.815,9 3.937,10 3.407,11 3.339,12 4.899,13 3.278,14 4.39,15 4.571,16 3.785,17 3.752,18 5.464,19 3.656,20 4.711,21 4.949,22 3.683,23 3.859,24 5.638,25 3.731,26 4.832,27 5.077,28 3.799,29 3.875,30 5.897,31 3.776,32 4.806,33 5.035,34 3.901,35 3.913,36 5.928,37 3.814,38 4.857,39 5.075,40 3.867,41 3.91,42 6.149,43 3.777,44 4.717,45 4.979,46 3.415,47 3.715,48 5.724,49 3.521,50 4.397,51 4.71,52 3.188,53 3.292,54 5.369,55 3.069,56 0.077,57 0.623,58 9.84,59 4.328,60 11.699,61 5.478,62 0.293,63 1.005,64 20.453,65 7.024,66 50.552,67 9.925,68 0.295,69 1.15,70 27.03,71 9.486,72 52.499,73 13.158,74 0.63,75 1.189,76 32.42,77 9.369,78 103.623,79 13.045,80 0.474,81 1.213,82 30.771,83 9.804,84 80.455,85 13.197,86 0.915,87 1.25,88 38.517,89 10.382,90 154.556,91 13.126,92 0.577,93 1.081,94 33.312,95 8.671,96 83.768,97 11.722,98 0.471,99 0.729,100 25.711,101 6.126,102 56.039,103 8.797,104 24,105 30,106 0.305,107 0.546,108 0.703,109 0.837,110 0.837,111 0.837,112 3.104,113 1.126,114 -3.43,115 -3.41,116 -3.26,121 33.3,122 1,123 7,124 1,125 1,160 2,162 1,164 1,168 1,170 1,174 1,176 10,177 1,180 4,183 3,185 3,187 11,188 2,192 5,195 1,197 5,200 7,201 2,205 1,206 7,211 5,214 7,215 3,218 1,219 8,220 1,224 4,225 1,227 8,228 2,231 1,232 9,235 2,236 1,237 3,239 7,244 5,245 1,249 1,251 3,252 1,255 1,256 3,257 1,259 1,261 1,264 1,268 1,269 2,272 1,277 1,281 630,282 13.982,283 13.982,284 13.982,285 13.982,286 13.982,287 13.062,288 14.832,289 8.405,290 14.327,291 10.782,292 10.782,293 10.782,294 10.782,295 10.782,296 9.396,297 21.85,298 3.826,299 11.317,300 3.692,301 2.35,302 1.478,303 0.732,304 0.732,305 0.732,306 3.753,310 1,311 1,312 1,313 330,314 4.062,317 136.22,325 1.297,326 30.482,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 46.5,338 163,339 4.567,340 4.026,341 7.627,342 4.505,343 3.502,344 3.704,345 2.341,346 13.9,347 3.509,348 3.923,349 3.711,350 5.905,351 3.658,352 2.661,353 3.435,354 1.907,355 8.075,356 2.647,357 3.823,358 2.793,359 5.432,360 3.388,361 2.525,362 2.991,363 0.149,364 7.177,365 2.173,366 3.053,367 2.503,368 4.755,369 2.722,370 1.729,371 2.098,373 4.409,374 1.696,375 2.655,376 2.024,377 3.962,378 2.443,379 1.438,380 1.607,382 3.138,383 1.429,384 2.556,385 1.369,386 3.618,387 2.264,388 1.293,389 1.554,391 2.73,392 1.253,393 2.274,394 1.318,395 3.602,396 1.968,397 1.026,398 1.232,400 2.282,401 0.948,402 2.118,403 1.016,404 3.43,405 1.726,406 0.723,407 0.927,409 1.464,410 0.717,411 1.844,412 0.618,413 3.077,414 1.618,415 0.618,416 0.775,418 1.372,419 0.618,420 1.618,421 0.618,422 3,423 1.449,424 0.618,425 0.618,427 1.354,428 0.5,429 0.971,430 0.433,431 2.694,432 0.675,433 -0.323,434 -0.325,436 -0.627,437 -0.322,438 0.682,439 0.314,440 2.466,441 0.528,442 -0.435,443 -0.557,445 -1.096,446 -0.411,447 0.472,448 -0.296,449 1.793,450 0.105,451 -0.924,452 -0.935,454 -2,455 -0.891,456 0.112,457 -0.626,458 1.572,459 -0.026,460 -1,461 -1.313,463 -2.097,464 -1.002,465 0.028,466 -0.652,467 1.505,468 -0.233,469 -1.261,470 -1.476,472 -3.032,473 -1.208,474 10.033,475 0.478,476 0.515,477 0.025,478 20.25,479 0.964,480 7.5,481 0.357,482 12.75,483 0.607,484 22.549,485 1.074,486 24.767,487 0.59,488 12.571,489 0.599,490 3.144,491 0.15,492 6.927,493 0.33,494 0.15,495 0.05,496 0.199,501 0.702,502 1.245,503 0.802,504 1.058,505 0.614,506 1.061,507 0.35,508 1.288,509 0.816,510 1.214,511 0.379,512 1.132,513 0.73,514 1.117,515 0.768,516 1.038,517 0.788,518 1.101,519 1.266,520 0.83,521 0.776,522 0.75,523 1.389,524 0.861,525 1.128,526 0.983,527 0.762,528 0.867,529 1.208,530 0.923,531 1.397,532 1.002,533 1.331,534 1.09,535 1.426,536 1.044,537 1.311,538 1.002,539 1.353,540 1.079,541 1.195,542 1.111,543 0.694,544 0.82,545 0.944,546 0.932,547 0.659,548 0.865,549 5,550 0.02,551 2.667,552 1.472,553 1.36,554 0.698,555 0.404,556 0.188,557 0.099,558 0.074,559 3684,560 11407,561 1.957,562 50,563 17,566 1,567 2,568 1,572 1.64,573 1.813,574 2.956,575 0.425,576 1,577 1,579 1,582 71.426,583 1.701,584 3.042,585 3.915,586 4.66,587 4.66,588 4.66,589 2.453,590 3.726,591 4.362,592 3.105,593 651.978,594 7.515,595 6944.23,596 1,597 1,599 1,600 226.477,601 1.582,602 4.3,603 0.227,604 0.01,605 0.089,606 0.053,607 0.045,608 0.021,609 0.014,610 0.011,611 0.009,612 0.009,613 0.488,614 0.33,615 1,616 1.615,617 93.58,618 -0.022,619 0.057,620 0.049,621 0.076,622 -0.003,623 0.035,624 0.273,625 -0.132,626 0.093,627 -0.114,628 0.199,629 -0.056,630 0.022,631 -0.161,632 0.006,633 -0.13,634 -0.007,635 -0.091,636 -0.12,637 0.066,638 0.046,639 0.087,640 -0.145,641 0.077,642 -0.056,643 -0.046,644 0.092,645 0.035,646 -0.048,647 0.046,648 -0.042,649 -0.027,650 -0.173,651 -0.032,652 -0.002,653 -0.093,654 -0.265,655 -0.045,656 -0.263,657 -0.084,658 -0.192,659 -0.165,660 0.13,661 0.058,662 0.149,663 0.023,664 0.059,665 0.08,666 2.466,667 5.632,668 0.476,669 15.143,670 1.008,671 1.138,672 2.197,673 4.826,674 0.64,675 3.135,676 3.434,677 3.664,678 3.85,679 3.871,680 3.871,681 3.784,682 3.689,683 3.367,684 3.045,685 4.942,686 0.598,687 311.45,688 3.135,689 4.654,690 5.485,691 6.358,692 7.22,693 8.101,694 8.976,695 9.859,696 10.74,697 11.627,698 7.1,705 1,708 2,715 1,716 2,719 1,720 1,722 5,741 42,743 7,745 22,747 43,748 14,749 2,756 2,757 2,763 1,764 1,766 1,767 4,770 7,772 4,773 10,774 1,777 2,782 2,786 2,789 1,790 1,793 21,794 6,795 2,796 7,797 1,802 3,808 1,809 3,828 2,843 1,845 1,857 1,859 2,862 1,864 1,868 21,875 1,876 7,877 1,880 1,882 1,893 7.1,895 1,896 2,901 11.583,902 7.517,903 4.819,904 2.866,907 0.769,908 1.129,909 0.882,910 5.684,911 6.75,912 3.314,913 3.744,914 4.101,915 4.437,916 4.399,917 4.531,918 4.606,919 4.591,920 4.504,921 4.46,922 1,923 28,924 7.863,926 3.374,927 0.026,929 7.996,931 14.904,933 12.377,936 2.496,937 52.417,941 223.651,942 71.18,943 51.337,945 92.973,947 31.278,948 39.902,949 316.624,950 51.337,951 8.825,952 35.752,954 150.905,955 0.501,957 243.158,959 223.651,960 91.239,961 92.973,962 31.278,964 223.651,965 92.973,968 52.299,969 5.615,970 33.326,971 31.278,972 223.651,973 144.31,974 71.18,977 223.651,978 55.135,979 16.045,980 18.011,981 126.299,982 223.651,983 144.31,984 71.18,986 0.569,987 0.336,988 0.178,989 0.087,990 13,991 6,992 0.163,993 7,995 1,996 3.21,997 154.068,999 10,1000 88.239,1001 1,1005 16.346,1006 7.302,1007 3.999,1009 144.31,1010 1.564,1011 7.532,1014 1.274,1015 0.48,1017 60.694,1018 439.141,1019 26.5,1024 24.039,1028 -0.897,1031 42.316,1032 47.78,1034 0.315,1035 0.564,1036 0.726,1037 0.864,1038 0.864,1039 0.864,1040 4.557,1041 0.723,1042 5.501,1043 2.282,1044 4.111,1045 4.425,1046 2.748,1047 6.372,1048 4.041,1049 5.726,1050 0.618,1051 7.111,1052 1.464,1053 3.892,1054 4.227,1055 2.591,1056 7.816,1057 3.843,1058 7.034,1059 0.618,1060 8.853,1061 1.372,1062 5.808,1063 6.388,1064 4.005,1065 10.866,1066 5.716,1067 8.383,1068 -0.323,1069 10.684,1070 1.354,1071 6.494,1072 7.046,1073 4.392,1074 13.175,1075 6.438,1076 9.774,1077 -0.435,1078 12.573,1079 -0.627,1080 7.915,1081 8.668,1082 5.469,1083 15.888,1084 7.844,1085 11.19,1086 -0.924,1087 14.504,1088 -1.096,1089 8.949,1090 9.671,1091 6.092,1092 18.435,1093 8.909,1094 12.625,1095 -1,1096 16.462,1097 -2,1098 10.23,1099 11.095,1100 7.032,1101 21.083,1102 10.19,1103 3.502,1104 -1.261,1105 18.441,1106 -2.097,1107 11.395,1108 12.246,1109 7.767,1110 23.692,1111 11.375,1112 2.661,1113 13.9,1114 20.433,1115 -3.032,1116 12.641,1117 13.591,1118 8.649,1119 26.327,1120 12.628,1121 2.525,1122 8.075,1123 22.436,1124 3.704,1125 13.856,1126 14.81,1127 9.44,1128 28.953,1129 13.855,1130 1.729,1131 7.177,1132 24.446,1133 3.435,1134 15.099,1135 16.122,1136 10.299,1137 31.585,1138 15.104,1139 1.438,1140 4.409,1141 26.462,1142 2.991,1143 16.335,1144 17.376,1145 11.117,1146 34.215,1147 16.347,1148 1.293,1149 3.138,1150 28.482,1151 2.098,1152 17.58,1153 18.675,1154 11.967,1155 36.847,1156 17.597,1157 1.026,1158 2.73,1159 30.505,1160 1.607,1161 18.824,1162 19.947,1163 12.8,1164 39.479,1165 18.846,1166 3822,1167 6860,1168 14.099,1169 26.881,1170 32.772,1171 33.039,1172 34.27,1173 32.21,1174 32.267,1175 37.885,1176 8.794,1177 91.805,1178 30.979,1179 5.536,1180 5.98,1181 7.39,1182 5.611,1183 5.502,1184 6.299,1185 3.925,1186 21.29,1187 5.478,1188 11.001,1189 1.49,1190 1.502,1191 1.558,1192 1.464,1193 1.467,1194 1.722,1195 0.4,1196 4.173,1197 1.408,1198 3.981,1199 4.021,1200 4.195,1201 3.878,1202 7.474,1203 3.869,1204 3.744,1205 3.785,1206 3.856,1207 3.682,1208 7.428,1209 3.601,1210 3.699,1211 3.752,1212 3.579,1213 3.568,1214 6.351,1215 3.555,1216 3.393,1217 3.451,1218 3.224,1219 3.2,1220 5.036,1221 3.19,1222 3.256,1223 3.287,1224 3.195,1225 3,1226 4.286,1227 3.031,1228 2.945,1229 2.985,1230 2.79,1231 2.671,1232 4.112,1233 2.645,1234 2.869,1235 2.979,1236 2.583,1237 2.596,1238 3.827,1239 2.635,1240 2.756,1241 2.872,1242 2.483,1243 2.495,1244 3.676,1245 2.477,1246 0.208,1247 0.183,1248 0.347,1249 0.205,1250 0.159,1251 4.567,1252 0.168,1253 4.026,1254 0.106,1255 7.627,1256 0.632,1257 4.505,1258 0.16,1259 3.502,1260 3.704,1261 2.341,1262 13.9,1263 3.509,1264 1.842,1265 1.806,1266 2.028,1267 1.987,1268 1.424,1269 1.999,1270 1.623,1271 1.571,1272 1.86,1273 1.806,1274 1.211,1275 1.823,1276 1.577,1277 1.507,1278 1.86,1279 1.751,1280 1.181,1281 1.793,1282 1.337,1283 1.309,1284 1.577,1285 1.588,1286 0.807,1287 1.576,1288 1.26,1289 1.231,1290 1.305,1291 1.485,1292 0.495,1293 1.463,1294 1.118,1295 1.038,1296 1.204,1297 1.356,1298 0.409,1299 1.373,1300 0.771,1301 0.727,1302 1.194,1303 1.172,1304 0.137,1305 1.149,1306 0.747,1307 0.673,1308 1.027,1309 1.031,1310 0.094,1311 1.087,1312 3.807,1314 5.106,1315 3.045,1316 6.592,1317 5.209,1318 8.172,1319 7.14,1320 9.809,1322 1.971,1327 9.366,1328 5.301,1329 2.804,1332 -0.451,1334 -0.566,1340 25.137,1341 71.426,1342 127.767,1343 164.419,1344 195.722,1345 195.722,1346 195.722,1347 60.613,1348 5.981,1349 92.18,1350 120.42,1351 10,1352 12.16,1353 3,1354 2.459,1355 38.901,1356 58,1357 63,1358 0.32,1359 162.069,1360 282.46,1361 387.209,1362 2118,1364 15.295,1365 0.728,1366 0.618,1367 15.648,1368 12.987,1369 10.071,1370 0.458,1371 0.375,1372 7.365,1373 9.216,1374 7.119,1375 5.936,1376 10.525,1377 8.256,1378 8.854,1379 0.295,1380 0.218,1381 9.463,1382 6.547,1383 7.077,1384 0.186,1385 0.128,1386 7.694,1387 4.853,1388 5.537,1389 0.12,1390 0.078,1391 6.154,1392 3.606,1393 3.686,1394 0.078,1395 0.044,1396 4.007,1397 2.09,1398 0.482,1399 68.064,1400 0.266,1401 20.512,1402 0.943,1403 104,1404 334.104,1405 139.811,1406 337.128,1407 437.59,1408 310,1409 120,1410 291.066,1411 148.347,1412 304.977,1413 438.9,1414 284,1415 5.523}
{0 CHEMBL2147460,1 1.234,2 15.03,3 6.705,4 44.954,5 142.309,6 6.092,7 0.472,8 4.336,9 4.484,10 3.735,11 3.883,12 5.224,13 3.812,14 4.922,15 5.142,16 4.032,17 4.29,18 5.707,19 4.179,20 5.21,21 5.474,22 4.123,23 4.448,24 5.935,25 4.303,26 5.265,27 5.543,28 4.073,29 4.446,30 5.982,31 4.287,32 5.265,33 5.538,34 3.967,35 4.45,36 5.954,37 4.267,38 5.31,39 5.614,40 3.804,41 4.413,42 5.913,43 4.193,44 5.222,45 5.533,46 3.655,47 4.308,48 5.784,49 4.07,50 5.12,51 5.441,52 3.537,53 4.179,54 5.669,55 3.94,56 0.096,57 1.051,58 17.96,59 7.101,60 11.96,61 10.525,62 0.215,63 1.721,64 31.812,65 11.769,66 21.358,67 17.833,68 0.264,69 2.136,70 41.585,71 15.501,72 30.258,73 23.492,74 0.378,75 2.221,76 44.123,77 15.679,78 35.778,79 24.014,80 0.304,81 2.192,82 43.784,83 16.245,84 32.83,85 24.61,86 0.306,87 2.158,88 44.988,89 17.159,90 31.109,91 25.747,92 0.239,93 1.93,94 40.717,95 16.327,96 25.627,97 24.123,98 0.25,99 1.719,100 36.68,101 14.563,102 24.189,103 21.528,104 6,105 47,106 0.193,107 0.482,108 0.69,109 0.819,110 0.87,111 0.878,112 3.531,113 1.07,114 -5.41,115 -5.29,116 -4.94,121 39.7,123 9,126 2,127 3,144 8,145 3,146 2,148 2,176 16,180 6,185 5,187 16,192 6,197 5,200 10,206 3,209 2,211 8,214 10,224 5,227 14,232 2,237 2,239 18,244 2,251 17,256 2,260 1,264 15,269 2,277 12,281 2001,282 22.916,283 22.916,284 22.916,285 22.916,286 22.916,287 20.901,288 24.598,289 14.293,290 23.198,291 17.848,292 17.848,293 17.848,294 17.848,295 17.848,296 14.728,297 30.672,298 6.831,299 18.292,300 4.956,301 3.108,302 1.775,303 0.945,304 0.623,305 0.569,306 4.234,312 1,313 1080,314 4.062,318 375.249,322 286.849,325 2.208,326 12.116,329 0.75,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.82,337 68,338 496,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.8,346 11.348,347 3.162,348 4.269,349 3.187,350 6.403,351 3.927,352 2.958,353 3.853,354 0.657,355 9.738,356 2.867,357 3.914,358 2.669,359 5.982,360 3.524,361 2.532,362 3.437,363 0.4,364 8.37,365 2.512,366 3.522,367 2.388,368 5.381,369 3.136,370 2.182,371 2.893,373 6.711,374 2.08,375 3.183,376 2.356,377 4.913,378 2.976,379 2.029,380 2.318,382 5.33,383 1.923,384 2.97,385 1.957,386 4.116,387 2.868,388 1.881,389 2.142,391 3.842,392 1.849,393 2.94,394 1.818,395 3.986,396 2.628,397 1.659,398 2.121,400 3.493,401 1.606,402 2.881,403 1.64,404 3.881,405 2.516,406 1.529,407 1.902,409 3.329,410 1.508,411 2.667,412 1.528,413 3.764,414 2.467,415 1.473,416 1.693,418 3.284,419 1.463,420 2.569,421 1.446,422 3.643,423 2.345,424 1.347,425 1.583,427 3.105,428 1.343,429 2.487,430 1.35,431 3.594,432 2.242,433 1.247,434 1.486,436 2.902,437 1.24,438 2.344,439 1.349,440 3.512,441 2.187,442 1.224,443 1.31,445 2.642,446 1.176,447 2.281,448 1.104,449 3.466,450 1.972,451 1,452 1.267,454 2.305,455 0.97,456 1.995,457 1.025,458 3.239,459 1.864,460 0.895,461 0.962,463 2.015,464 0.865,465 1.729,466 0.705,467 2.938,468 1.571,469 0.595,470 0.656,472 1.304,473 0.58,474 16.1,475 0.488,476 0.521,477 0.016,478 37.25,479 1.129,480 17,481 0.515,482 20.25,483 0.614,484 34.2,485 1.036,486 36.7,487 0.503,488 24.604,489 0.746,490 6.673,491 0.202,492 9.564,493 0.29,494 0.062,496 0.242,501 1.082,502 1.37,503 1.024,504 1.172,505 0.967,506 1.108,507 1.384,508 1.144,509 1.078,510 1.046,511 0.96,512 1.042,513 1.026,514 1.138,515 0.949,516 1.021,517 0.924,518 0.987,519 1.295,520 1.014,521 1.042,522 0.977,523 1.129,524 0.99,525 1.285,526 1.102,527 1.169,528 1.114,529 1.255,530 1.131,531 1.094,532 0.927,533 1.075,534 1.003,535 1.122,536 1.031,537 0.734,538 0.96,539 0.998,540 1.035,541 0.884,542 1.035,543 0.705,544 0.853,545 0.934,546 0.943,547 0.819,548 0.952,549 3.5,550 0.099,551 2.889,552 1.938,553 1.542,554 0.653,555 0.361,556 0.205,557 0.156,558 0.123,559 19538,560 35250,561 2.116,562 54.8,563 12,564 20,567 2,568 2,569 4,572 1.742,573 2.041,574 3.758,575 0.072,582 90.099,583 1.234,584 3.082,585 4.415,586 5.244,587 5.566,588 5.621,589 3.048,590 4.378,591 5.023,592 4.066,593 2146.7,594 8.733,595 36837.9,600 451.857,601 1.104,602 5.003,603 0.097,604 0.004,605 0.061,606 0.039,607 0.034,608 0.016,609 0.011,610 0.007,611 0.006,612 0.005,613 0.281,614 0.33,615 0.88,616 0.551,617 182.46,618 0.043,619 -0.107,620 0.06,621 -0.014,622 0.088,623 0.018,624 -0.104,625 0.006,626 -0.024,627 0.006,628 0.059,629 -0.002,630 0.051,631 -0.097,632 0.061,633 -0.01,634 0.121,635 0.02,636 0.019,637 0.028,638 -0.022,639 -0.007,640 0.018,641 -0.016,642 -0.158,643 -0.072,644 -0.163,645 -0.122,646 -0.194,647 -0.139,648 -0.137,649 0.029,650 -0.101,651 -0.033,652 -0.19,653 -0.059,654 -0.024,655 -0.043,656 -0.049,657 -0.052,658 -0.081,659 -0.052,660 0.051,661 0.049,662 0.014,663 0.022,664 -0.01,665 0.017,666 0.553,667 1.954,668 0.606,669 37.383,670 0.977,671 1.13,672 4.178,673 17.452,674 0.64,675 3.611,676 3.871,677 4.143,678 4.407,679 4.635,680 4.644,681 4.736,682 4.796,683 4.836,684 4.691,685 9.48,686 0.583,687 444.73,688 3.611,689 5.118,690 5.953,691 6.81,692 7.669,693 8.539,694 9.409,695 10.287,696 11.164,697 12.047,698 5.5,700 1,703 1,704 1,708 1,714 2,715 8,716 1,720 5,722 17,734 1,736 1,741 73,743 17,744 2,745 36,747 76,748 29,749 15,750 4,751 8,756 4,757 7,767 4,770 9,772 15,773 14,793 40,794 4,795 2,796 4,802 4,808 0.5,822 1,829 4,833 2,853 1,859 2,864 2,868 33,876 12,877 2,881 1,901 16.167,902 13.317,903 7.5,904 4.925,907 3.299,908 1.417,909 0.984,910 8.882,911 11.211,912 3.818,913 4.357,914 4.951,915 5.537,916 6.103,917 6.336,918 6.672,919 6.969,920 7.247,921 7.061,922 1,923 50,924 12.263,926 5.001,927 0.026,929 7.308,931 24.841,933 20.569,936 1.808,937 59.667,941 447.302,942 141.089,943 55.931,948 141.089,949 447.302,950 55.931,951 16.793,952 29.128,953 93.821,954 34.796,955 22.483,957 447.302,959 447.302,960 197.02,964 400.217,965 47.084,968 52.04,969 110.185,970 34.796,972 447.302,973 55.931,974 141.089,977 447.302,978 48.486,979 95.727,980 36.022,981 16.786,982 447.302,983 55.931,984 141.089,986 0.558,987 0.326,988 0.187,989 0.103,990 20,991 8,992 0.158,993 12,994 2,995 1.2,996 4.668,997 280.957,998 0.2,999 20,1000 159.71,1005 23.884,1006 12.272,1007 6.413,1008 2.432,1009 55.931,1010 17.268,1011 4.954,1015 6.836,1017 36.022,1018 644.322,1019 44.5,1031 71.312,1032 82.467,1034 0.199,1035 0.498,1036 0.713,1037 0.847,1038 0.899,1039 0.908,1040 5.026,1041 1.529,1042 5.889,1043 3.493,1044 4.554,1045 5.043,1046 1.145,1047 6.666,1048 4.506,1049 6.179,1050 1.473,1051 7.415,1052 3.329,1053 3.892,1054 4.745,1055 0.325,1056 7.548,1057 3.806,1058 7.458,1059 1.347,1060 9.058,1061 3.284,1062 6.084,1063 7.228,1064 0.634,1065 10.707,1066 5.99,1067 8.785,1068 1.247,1069 10.776,1070 3.105,1071 6.365,1072 7.886,1073 0.268,1074 12.517,1075 6.235,1076 10.157,1077 1.224,1078 12.546,1079 2.902,1080 7.942,1081 9.794,1082 0.364,1083 15.168,1084 7.803,1085 11.562,1086 1,1087 14.35,1088 2.642,1089 8.689,1090 10.895,1091 0.188,1092 17.327,1093 8.519,1094 12.992,1095 0.895,1096 16.177,1097 2.305,1098 10.005,1099 12.566,1100 0.215,1101 19.814,1102 9.822,1103 3.226,1104 0.595,1105 18.021,1106 2.015,1107 10.974,1108 13.877,1109 0.125,1110 22.114,1111 10.763,1112 2.958,1113 11.348,1114 19.877,1115 1.304,1116 12.183,1117 15.448,1118 0.129,1119 24.548,1120 11.956,1121 2.532,1122 9.738,1123 21.742,1124 4.564,1125 13.253,1126 16.86,1127 0.082,1128 26.909,1129 13.002,1130 2.182,1131 8.37,1132 23.614,1133 3.853,1134 14.423,1135 18.392,1136 0.079,1137 29.328,1138 14.153,1139 2.029,1140 6.711,1141 25.492,1142 3.437,1143 15.538,1144 19.853,1145 0.054,1146 31.718,1147 15.245,1148 1.881,1149 5.33,1150 27.374,1151 2.893,1152 16.695,1153 21.37,1154 0.048,1155 34.134,1156 16.383,1157 1.659,1158 3.842,1159 29.259,1160 2.318,1161 17.831,1162 22.856,1163 0.035,1164 36.539,1165 17.498,1166 18368,1167 24790,1168 24.731,1169 46.728,1170 52.061,1171 52.226,1172 53.36,1173 52.082,1174 52.047,1175 64.926,1176 3.715,1177 140.53,1178 50.761,1179 5.606,1180 5.361,1181 6.753,1182 5.247,1183 5.226,1184 7.564,1185 1.457,1186 18.879,1187 5.162,1188 11.646,1189 1.446,1190 1.451,1191 1.482,1192 1.447,1193 1.446,1194 1.804,1195 0.103,1196 3.904,1197 1.41,1198 4.115,1199 4.147,1200 4.074,1201 4.042,1202 4.973,1203 4.046,1204 3.953,1205 3.993,1206 3.887,1207 3.873,1208 4.757,1209 3.872,1210 3.768,1211 3.834,1212 3.623,1213 3.654,1214 4.413,1215 3.64,1216 3.732,1217 3.781,1218 3.602,1219 3.637,1220 4.29,1221 3.619,1222 3.576,1223 3.658,1224 3.414,1225 3.4,1226 4.227,1227 3.391,1228 3.439,1229 3.533,1230 3.266,1231 3.207,1232 4.201,1233 3.208,1234 3.356,1235 3.441,1236 3.206,1237 3.185,1238 4.011,1239 3.18,1240 3.223,1241 3.292,1242 3.074,1243 3.078,1244 3.963,1245 3.067,1246 0.129,1247 0.093,1248 0.19,1249 0.117,1250 0.09,1251 4.64,1252 0.127,1253 3.361,1254 0.022,1255 6.829,1256 0.315,1257 4.207,1258 0.088,1259 3.226,1260 4.564,1261 0.8,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.437,1269 2.163,1270 1.928,1271 1.896,1272 2.057,1273 2.04,1274 1.388,1275 2.047,1276 1.779,1277 1.717,1278 2.018,1279 1.942,1280 1.211,1281 1.973,1282 1.754,1283 1.708,1284 1.949,1285 1.872,1286 1.159,1287 1.902,1288 1.571,1289 1.496,1290 1.839,1291 1.787,1292 1.115,1293 1.808,1294 1.415,1295 1.319,1296 1.726,1297 1.674,1298 0.844,1299 1.698,1300 1.341,1301 1.268,1302 1.61,1303 1.573,1304 0.782,1305 1.592,1306 1.23,1307 1.164,1308 1.479,1309 1.409,1310 0.752,1311 1.437,1312 4.29,1314 5.565,1316 7.05,1318 8.648,1320 10.313,1322 4.221,1328 14.341,1329 7.425,1333 2.19,1340 42.568,1341 90.099,1342 224.999,1343 322.29,1344 382.838,1345 406.347,1346 410.347,1347 49.348,1348 7.912,1349 40.19,1350 40.19,1351 24,1352 12.583,1353 4.17,1354 3.248,1355 55.111,1356 195,1357 143,1358 0.133,1359 263.133,1360 451,1361 633.804,1362 39857,1364 22.882,1365 0.693,1366 0.621,1367 22.882,1368 20.499,1369 16.237,1370 0.451,1371 0.357,1372 12.745,1373 15.919,1374 12.38,1375 10.375,1376 16.237,1377 12.841,1378 13.675,1379 0.291,1380 0.203,1381 13.675,1382 9.531,1383 11.328,1384 0.183,1385 0.11,1386 11.328,1387 6.79,1388 9.639,1389 0.119,1390 0.062,1391 9.639,1392 5.013,1393 7.95,1394 0.078,1395 0.035,1396 7.95,1397 3.601,1398 0.224,1399 99.529,1400 0.201,1401 31.924,1402 0.33,1403 166,1404 327.956,1405 172.911,1406 332.007,1407 473.97,1408 316,1409 192,1410 359.746,1411 200.16,1412 372.661,1413 543.74,1414 352,1415 8.286}
{0 CHEMBL2147461,1 1.226,2 15.853,3 7.161,4 51.28,5 146.91,6 6.036,7 0.459,8 4.373,9 4.522,10 3.763,11 3.919,12 5.252,13 3.845,14 4.962,15 5.184,16 4.055,17 4.326,18 5.737,19 4.211,20 5.254,21 5.522,22 4.145,23 4.484,24 5.967,25 4.334,26 5.307,27 5.587,28 4.096,29 4.482,30 6.012,31 4.319,32 5.307,33 5.583,34 3.992,35 4.485,36 5.985,37 4.299,38 5.35,39 5.655,40 3.834,41 4.45,42 5.946,43 4.228,44 5.266,45 5.578,46 3.69,47 4.349,48 5.821,49 4.109,50 5.168,51 5.49,52 3.575,53 4.224,54 5.707,55 3.983,56 0.1,57 1.09,58 18.781,59 7.444,60 12.325,61 11.039,62 0.221,63 1.785,64 33.187,65 12.346,66 21.938,67 18.702,68 0.273,69 2.216,70 43.383,71 16.235,72 31.086,73 24.602,74 0.386,75 2.299,76 45.878,77 16.406,78 36.48,79 25.113,80 0.312,81 2.271,82 45.53,83 16.975,84 33.456,85 25.708,86 0.312,87 2.235,88 46.613,89 17.866,90 31.534,91 26.791,92 0.246,93 2.008,94 42.323,95 17.031,96 26.093,97 25.148,98 0.231,99 1.795,100 38.25,101 15.147,102 23.645,103 22.492,104 6,105 48,106 0.19,107 0.471,108 0.676,109 0.806,110 0.859,111 0.872,112 3.559,113 1.082,114 -5.6,115 -5.47,116 -5.1,121 39.5,123 10,126 2,127 3,144 8,145 3,146 2,148 2,176 17,180 6,185 5,187 17,192 6,197 5,200 11,206 3,209 2,211 8,214 11,224 5,227 15,232 2,237 2,239 18,244 2,249 2,251 17,256 2,264 15,269 2,273 1,277 15,281 2196,282 23.623,283 23.623,284 23.623,285 23.623,286 23.623,287 21.608,288 24.598,289 14.793,290 23.905,291 18.348,292 18.348,293 18.348,294 18.348,295 18.348,296 15.228,297 30.672,298 7.081,299 18.792,300 5.022,301 3.211,302 1.888,303 1.046,304 0.704,305 0.625,306 4.263,312 1,313 1172,314 4.183,318 395.524,322 302.629,325 2.367,326 12.191,329 0.75,330 0.67,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.8,337 70,338 539,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.8,346 11.348,347 3.162,348 4.269,349 3.187,350 6.403,351 3.927,352 2.958,353 3.853,354 0.657,355 9.738,356 2.867,357 3.914,358 2.669,359 5.982,360 3.524,361 2.532,362 3.437,363 0.4,364 8.37,365 2.512,366 3.522,367 2.388,368 5.381,369 3.136,370 2.182,371 2.893,373 6.711,374 2.08,375 3.183,376 2.356,377 4.913,378 2.978,379 2.03,380 2.318,382 5.33,383 1.93,384 2.972,385 1.962,386 4.116,387 2.888,388 1.9,389 2.142,391 3.866,392 1.867,393 2.94,394 1.84,395 3.988,396 2.674,397 1.7,398 2.121,400 3.545,401 1.654,402 2.897,403 1.67,404 3.896,405 2.523,406 1.538,407 1.918,409 3.329,410 1.513,411 2.706,412 1.549,413 3.777,414 2.494,415 1.5,416 1.725,418 3.312,419 1.49,420 2.588,421 1.456,422 3.67,423 2.345,424 1.347,425 1.611,427 3.158,428 1.343,429 2.489,430 1.4,431 3.594,432 2.283,433 1.31,434 1.488,436 2.902,437 1.271,438 2.384,439 1.35,440 3.548,441 2.242,442 1.247,443 1.376,445 2.786,446 1.24,447 2.329,448 1.14,449 3.466,450 1.974,451 1,452 1.291,454 2.305,455 0.972,456 2.076,457 1.098,458 3.324,459 1.963,460 1,461 1.057,463 2.218,464 0.961,465 1.838,466 0.818,467 3.025,468 1.692,469 0.713,470 0.781,472 1.578,473 0.697,474 16.6,475 0.488,476 0.521,477 0.015,478 37.75,479 1.11,480 17,481 0.5,482 20.75,483 0.61,484 36.111,485 1.062,486 38,487 0.5,488 24.761,489 0.728,490 6.673,491 0.196,492 10.064,493 0.296,494 0.06,496 0.235,501 1.085,502 1.374,503 1.037,504 1.183,505 0.967,506 1.12,507 1.379,508 1.156,509 1.09,510 1.062,511 0.958,512 1.058,513 1.018,514 1.131,515 0.948,516 1.018,517 0.914,518 0.985,519 1.283,520 1.012,521 1.038,522 0.977,523 1.117,524 0.989,525 1.274,526 1.098,527 1.16,528 1.108,529 1.24,530 1.123,531 1.089,532 0.93,533 1.069,534 1.001,535 1.112,536 1.028,537 0.733,538 0.96,539 0.995,540 1.032,541 0.877,542 1.031,543 0.753,544 0.897,545 0.934,546 0.953,547 0.835,548 0.955,549 3.5,550 0.099,551 2.889,552 1.938,553 1.542,554 0.653,555 0.361,556 0.205,557 0.156,558 0.122,559 21735,560 38779,561 2.112,562 55.3,563 14,564 20,567 2,568 2,569 4,572 1.749,573 2.04,574 3.826,575 0.06,582 93.158,583 1.226,584 3.037,585 4.36,586 5.202,587 5.544,588 5.623,589 3.091,590 4.323,591 5.066,592 4.144,593 2324.72,594 8.814,595 41445.4,600 474.842,601 1.086,602 5.047,603 0.095,604 0.004,605 0.06,606 0.038,607 0.033,608 0.016,609 0.011,610 0.007,611 0.006,612 0.005,613 0.274,614 0.33,615 0.75,616 0.54,617 190.67,618 0.046,619 -0.104,620 0.059,621 -0.013,622 0.096,623 0.017,624 -0.1,625 -0.004,626 -0.03,627 -0.004,628 0.063,629 -0.011,630 0.056,631 -0.092,632 0.063,633 -0.007,634 0.129,635 0.022,636 0.025,637 0.027,638 -0.017,639 -0.005,640 0.028,641 -0.012,642 -0.15,643 -0.069,644 -0.153,645 -0.114,646 -0.179,647 -0.13,648 -0.132,649 0.028,650 -0.096,651 -0.031,652 -0.181,653 -0.056,654 -0.022,655 -0.041,656 -0.047,657 -0.049,658 -0.076,659 -0.05,660 -0.002,661 0.007,662 0.012,663 0.013,664 -0.033,665 0.013,666 0.548,667 1.958,668 0.588,669 40.388,670 0.976,671 1.13,672 4.37,673 19.099,674 0.638,675 3.638,676 3.892,677 4.159,678 4.419,679 4.644,680 4.654,681 4.745,682 4.804,683 4.844,684 4.7,685 9.975,686 0.58,687 458.76,688 3.638,689 5.142,690 5.974,691 6.828,692 7.684,693 8.552,694 9.42,695 10.296,696 11.172,697 12.053,698 5.3,700 1,703 1,704 1,708 1,714 2,715 8,716 1,720 5,722 17,734 1,736 1,741 76,743 17,744 2,745 37,747 79,748 30,749 15,750 4,751 8,756 4,757 7,767 4,770 10,772 15,773 15,793 42,794 4,795 2,796 4,802 4,808 0.5,822 1,829 4,833 2,853 1,859 2,864 2,868 34,876 13,877 2,881 1,901 16.667,902 13.817,903 7.75,904 5.175,907 3.276,908 1.412,909 0.98,910 9.499,911 11.224,912 3.839,913 4.369,914 4.958,915 5.541,916 6.106,917 6.338,918 6.673,919 6.97,920 7.248,921 7.062,922 0.9,923 51,924 12.641,926 5.144,927 0.026,929 7.299,931 25.657,933 21.236,936 1.799,937 61.167,941 470.844,942 143.624,943 55.931,948 143.624,949 470.844,950 55.931,951 16.793,952 31.662,953 93.821,954 34.796,955 22.483,957 470.844,959 470.844,960 199.555,964 423.76,965 47.084,968 54.574,969 110.185,970 34.796,972 470.844,973 55.931,974 143.624,977 470.844,978 51.021,979 95.727,980 36.022,981 16.786,982 470.844,983 55.931,984 143.624,986 0.556,987 0.324,988 0.185,989 0.102,990 20,991 8,992 0.165,993 13,994 2,995 1.2,996 4.786,997 289.39,998 0.2,999 20,1000 166.219,1005 24.852,1006 12.996,1007 6.89,1008 2.438,1009 55.931,1010 17.287,1011 4.958,1015 6.853,1017 36.022,1018 670.399,1019 45.5,1031 74.196,1032 85.882,1034 0.196,1035 0.486,1036 0.698,1037 0.833,1038 0.887,1039 0.9,1040 5.045,1041 1.538,1042 5.905,1043 3.545,1044 4.575,1045 5.056,1046 1.145,1047 6.676,1048 4.527,1049 6.193,1050 1.5,1051 7.427,1052 3.329,1053 3.892,1054 4.745,1055 0.325,1056 7.548,1057 3.806,1058 7.469,1059 1.347,1060 9.066,1061 3.312,1062 6.098,1063 7.232,1064 0.634,1065 10.71,1066 6.005,1067 8.793,1068 1.31,1069 10.782,1070 3.158,1071 6.365,1072 7.886,1073 0.268,1074 12.517,1075 6.235,1076 10.163,1077 1.247,1078 12.549,1079 2.902,1080 7.949,1081 9.795,1082 0.364,1083 15.168,1084 7.811,1085 11.566,1086 1,1087 14.352,1088 2.786,1089 8.689,1090 10.895,1091 0.188,1092 17.327,1093 8.519,1094 12.994,1095 1,1096 16.178,1097 2.305,1098 10.008,1099 12.566,1100 0.215,1101 19.814,1102 9.825,1103 3.226,1104 0.713,1105 18.022,1106 2.218,1107 10.974,1108 13.877,1109 0.125,1110 22.114,1111 10.763,1112 2.958,1113 11.348,1114 19.878,1115 1.578,1116 12.184,1117 15.448,1118 0.129,1119 24.548,1120 11.958,1121 2.532,1122 9.738,1123 21.743,1124 4.564,1125 13.253,1126 16.86,1127 0.082,1128 26.909,1129 13.002,1130 2.182,1131 8.37,1132 23.614,1133 3.853,1134 14.423,1135 18.392,1136 0.079,1137 29.328,1138 14.154,1139 2.03,1140 6.711,1141 25.492,1142 3.437,1143 15.538,1144 19.853,1145 0.054,1146 31.718,1147 15.245,1148 1.9,1149 5.33,1150 27.374,1151 2.893,1152 16.695,1153 21.37,1154 0.048,1155 34.134,1156 16.383,1157 1.7,1158 3.866,1159 29.26,1160 2.318,1161 17.831,1162 22.856,1163 0.035,1164 36.539,1165 17.498,1166 20436,1167 27422,1168 25.424,1169 48.489,1170 53.315,1171 53.51,1172 54.602,1173 53.361,1174 53.333,1175 66.215,1176 3.715,1177 143.111,1178 52.047,1179 5.61,1180 5.361,1181 6.765,1182 5.247,1183 5.226,1184 7.564,1185 1.457,1186 18.879,1187 5.162,1188 11.941,1189 1.441,1190 1.446,1191 1.476,1192 1.442,1193 1.441,1194 1.79,1195 0.1,1196 3.868,1197 1.407,1198 4.116,1199 4.147,1200 4.075,1201 4.043,1202 4.973,1203 4.047,1204 3.954,1205 3.994,1206 3.887,1207 3.874,1208 4.757,1209 3.872,1210 3.782,1211 3.846,1212 3.628,1213 3.663,1214 4.413,1215 3.646,1216 3.732,1217 3.781,1218 3.61,1219 3.646,1220 4.289,1221 3.63,1222 3.612,1223 3.691,1224 3.449,1225 3.45,1226 4.236,1227 3.437,1228 3.444,1229 3.539,1230 3.272,1231 3.223,1232 4.201,1233 3.22,1234 3.401,1235 3.486,1236 3.242,1237 3.206,1238 4.046,1239 3.205,1240 3.256,1241 3.327,1242 3.105,1243 3.116,1244 3.972,1245 3.105,1246 0.125,1247 0.091,1248 0.185,1249 0.114,1250 0.087,1251 4.64,1252 0.123,1253 3.361,1254 0.022,1255 6.829,1256 0.307,1257 4.207,1258 0.085,1259 3.226,1260 4.564,1261 0.8,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.438,1269 2.163,1270 1.928,1271 1.896,1272 2.06,1273 2.04,1274 1.403,1275 2.048,1276 1.794,1277 1.732,1278 2.029,1279 1.953,1280 1.233,1281 1.984,1282 1.754,1283 1.709,1284 1.949,1285 1.872,1286 1.174,1287 1.902,1288 1.616,1289 1.543,1290 1.88,1291 1.818,1292 1.137,1293 1.842,1294 1.418,1295 1.323,1296 1.729,1297 1.681,1298 0.926,1299 1.704,1300 1.389,1301 1.309,1302 1.667,1303 1.619,1304 0.793,1305 1.641,1306 1.259,1307 1.196,1308 1.508,1309 1.451,1310 0.756,1311 1.477,1312 4.317,1314 5.587,1316 7.067,1318 8.661,1320 10.321,1322 4.225,1328 15.78,1329 7.433,1333 2.192,1340 44.095,1341 93.158,1342 230.842,1343 331.333,1344 395.333,1345 421.333,1346 427.333,1347 52.34,1348 7.948,1349 40.19,1350 40.19,1351 24,1352 12.59,1353 4.17,1354 3.248,1355 57.749,1356 212,1357 154,1358 0.128,1359 272.725,1360 468.3,1361 657.209,1362 42631,1364 23.589,1365 0.694,1366 0.624,1367 23.589,1368 21.206,1369 16.737,1370 0.452,1371 0.361,1372 13.245,1373 16.419,1374 12.871,1375 10.792,1376 16.737,1377 13.341,1378 14.028,1379 0.292,1380 0.206,1381 14.028,1382 9.884,1383 11.578,1384 0.184,1385 0.112,1386 11.578,1387 7.04,1388 9.816,1389 0.12,1390 0.063,1391 9.816,1392 5.19,1393 8.075,1394 0.078,1395 0.036,1396 8.075,1397 3.726,1398 0.216,1399 102.529,1400 0.198,1401 32.871,1402 0.314,1403 170,1404 331.956,1405 176.911,1406 336.168,1407 479.73,1408 320,1409 196,1410 363.746,1411 204.16,1412 376.823,1413 549.5,1414 356,1415 8.394}
{0 CHEMBL2147462,1 1.218,2 16.657,3 7.617,4 58.022,5 151.511,6 5.985,7 0.447,8 4.409,9 4.559,10 3.789,11 3.953,12 5.279,13 3.877,14 5.001,15 5.224,16 4.078,17 4.36,18 5.767,19 4.242,20 5.297,21 5.567,22 4.167,23 4.518,24 5.998,25 4.364,26 5.348,27 5.63,28 4.119,29 4.516,30 6.042,31 4.349,32 5.347,33 5.626,34 4.017,35 4.52,36 6.016,37 4.33,38 5.389,39 5.695,40 3.863,41 4.485,42 5.977,43 4.261,44 5.308,45 5.621,46 3.723,47 4.388,48 5.857,49 4.147,50 5.214,51 5.537,52 3.612,53 4.268,54 5.747,55 4.026,56 0.105,57 1.129,58 19.598,59 7.786,60 12.681,61 11.55,62 0.227,63 1.848,64 34.551,65 12.921,66 22.505,67 19.565,68 0.282,69 2.296,70 45.157,71 16.965,72 31.882,73 25.701,74 0.394,75 2.378,76 47.612,77 17.129,78 37.16,79 26.202,80 0.319,81 2.35,82 47.254,83 17.701,84 34.063,85 26.795,86 0.319,87 2.312,88 48.225,89 18.572,90 31.956,91 27.829,92 0.253,93 2.085,94 43.919,95 17.733,96 26.555,97 26.168,98 0.238,99 1.873,100 39.839,101 15.848,102 24.098,103 23.509,104 6,105 49,106 0.187,107 0.461,108 0.662,109 0.792,110 0.851,111 0.873,112 3.587,113 1.093,114 -5.79,115 -5.65,116 -5.27,121 39.2,123 11,126 2,127 3,144 8,145 3,146 2,148 2,176 18,180 6,185 5,187 18,192 6,197 5,200 12,206 3,209 2,211 8,214 12,224 5,227 16,232 2,237 2,239 19,244 2,249 2,251 17,256 2,261 2,264 15,269 2,277 15,281 2425,282 24.33,283 24.33,284 24.33,285 24.33,286 24.33,287 22.316,288 24.598,289 15.293,290 24.612,291 18.848,292 18.848,293 18.848,294 18.848,295 18.848,296 15.728,297 30.672,298 7.331,299 19.292,300 5.086,301 3.31,302 2.002,303 1.158,304 0.772,305 0.627,306 4.291,312 1,313 1266,314 4.301,318 415.865,322 318.513,325 2.545,326 12.255,329 0.75,330 0.5,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.77,337 72,338 583,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.8,346 11.348,347 3.162,348 4.269,349 3.187,350 6.403,351 3.927,352 2.958,353 3.853,354 0.657,355 9.738,356 2.867,357 3.914,358 2.669,359 5.982,360 3.524,361 2.532,362 3.437,363 0.4,364 8.37,365 2.512,366 3.522,367 2.388,368 5.381,369 3.136,370 2.182,371 2.893,373 6.711,374 2.08,375 3.183,376 2.356,377 4.913,378 2.979,379 2.03,380 2.318,382 5.33,383 1.937,384 2.974,385 1.967,386 4.116,387 2.903,388 1.915,389 2.142,391 3.885,392 1.878,393 2.941,394 1.859,395 3.99,396 2.715,397 1.736,398 2.121,400 3.594,401 1.698,402 2.909,403 1.699,404 3.908,405 2.537,406 1.557,407 1.931,409 3.341,410 1.525,411 2.741,412 1.57,413 3.79,414 2.507,415 1.515,416 1.758,418 3.329,419 1.501,420 2.601,421 1.474,422 3.695,423 2.361,424 1.378,425 1.628,427 3.196,428 1.351,429 2.492,430 1.426,431 3.594,432 2.345,433 1.347,434 1.491,436 2.904,437 1.343,438 2.448,439 1.35,440 3.574,441 2.242,442 1.247,443 1.445,445 2.902,446 1.24,447 2.335,448 1.229,449 3.466,450 2.064,451 1.099,452 1.295,454 2.396,455 1.058,456 2.159,457 1.101,458 3.395,459 1.972,460 1,461 1.148,463 2.304,464 0.97,465 1.923,466 0.923,467 3.117,468 1.792,469 0.815,470 0.881,472 1.812,473 0.795,474 17.1,475 0.489,476 0.521,477 0.015,478 38.25,479 1.093,480 17,481 0.486,482 21.25,483 0.607,484 38.04,485 1.087,486 39.3,487 0.497,488 24.913,489 0.712,490 6.673,491 0.191,492 10.564,493 0.302,494 0.058,496 0.228,501 1.087,502 1.378,503 1.05,504 1.193,505 0.967,506 1.132,507 1.375,508 1.166,509 1.101,510 1.078,511 0.956,512 1.073,513 1.011,514 1.125,515 0.947,516 1.016,517 0.906,518 0.984,519 1.273,520 1.011,521 1.034,522 0.977,523 1.106,524 0.987,525 1.264,526 1.094,527 1.151,528 1.103,529 1.227,530 1.117,531 1.084,532 0.932,533 1.065,534 1,535 1.103,536 1.026,537 0.732,538 0.961,539 0.993,540 1.029,541 0.87,542 1.028,543 0.75,544 0.9,545 0.933,546 0.954,547 0.827,548 0.955,549 3.5,550 0.099,551 2.889,552 1.938,553 1.542,554 0.653,555 0.361,556 0.205,557 0.156,558 0.123,559 24080,560 42504,561 2.109,562 55.7,563 16,564 20,567 2,568 2,569 4,572 1.755,573 2.039,574 3.89,575 0.049,582 96.204,583 1.218,584 2.994,585 4.302,586 5.146,587 5.531,588 5.677,589 3.19,590 4.444,591 5.108,592 4.218,593 2509.78,594 8.894,595 46424.6,600 497.999,601 1.069,602 5.09,603 0.092,604 0.004,605 0.059,606 0.037,607 0.032,608 0.016,609 0.01,610 0.007,611 0.006,612 0.005,613 0.268,614 0.33,615 0.63,616 0.529,617 198.923,618 0.049,619 -0.101,620 0.058,621 -0.013,622 0.103,623 0.017,624 -0.097,625 -0.012,626 -0.036,627 -0.013,628 0.067,629 -0.02,630 0.06,631 -0.088,632 0.065,633 -0.004,634 0.136,635 0.024,636 0.031,637 0.026,638 -0.012,639 -0.003,640 0.037,641 -0.009,642 -0.142,643 -0.066,644 -0.143,645 -0.108,646 -0.167,647 -0.122,648 -0.128,649 0.027,650 -0.091,651 -0.03,652 -0.173,653 -0.053,654 -0.021,655 -0.04,656 -0.045,657 -0.047,658 -0.072,659 -0.047,660 -0.001,661 0.006,662 0.012,663 0.012,664 -0.03,665 0.012,666 0.544,667 1.961,668 0.571,669 43.453,670 0.976,671 1.13,672 4.561,673 20.798,674 0.636,675 3.664,676 3.912,677 4.174,678 4.431,679 4.654,680 4.663,681 4.754,682 4.812,683 4.852,684 4.71,685 10.468,686 0.577,687 472.79,688 3.664,689 5.165,690 5.994,691 6.845,692 7.698,693 8.564,694 9.43,695 10.305,696 11.179,697 12.059,698 5.1,700 1,703 1,704 1,708 1,714 2,715 8,716 1,720 5,722 17,734 1,736 1,741 79,743 17,744 2,745 38,747 82,748 31,749 15,750 4,751 8,756 4,757 7,767 4,770 11,772 15,773 16,793 44,794 4,795 2,796 4,802 4,808 0.5,822 1,829 4,833 2,853 1,859 2,864 2,868 35,876 14,877 2,881 1,901 17.167,902 14.317,903 8,904 5.425,907 3.254,908 1.408,909 0.977,910 10.129,911 11.236,912 3.861,913 4.382,914 4.965,915 5.545,916 6.108,917 6.34,918 6.675,919 6.971,920 7.248,921 7.062,922 1,923 52,924 13.019,926 5.287,927 0.026,929 7.29,931 26.474,933 21.903,936 1.79,937 62.667,941 494.386,942 146.158,943 55.931,948 146.158,949 494.386,950 55.931,951 16.793,952 34.197,953 93.821,954 34.796,955 22.483,957 494.386,959 494.386,960 202.09,964 447.302,965 47.084,968 57.109,969 110.185,970 34.796,972 494.386,973 55.931,974 146.158,977 494.386,978 53.555,979 95.727,980 36.022,981 16.786,982 494.386,983 55.931,984 146.158,986 0.555,987 0.321,988 0.184,989 0.101,990 20,991 8,992 0.171,993 14,994 2,995 1.2,996 4.904,997 297.877,998 0.2,999 20,1000 172.77,1005 25.822,1006 13.729,1007 7.365,1008 2.444,1009 55.931,1010 17.304,1011 4.961,1015 6.867,1017 36.022,1018 696.476,1019 46.5,1031 77.079,1032 89.297,1034 0.193,1035 0.475,1036 0.682,1037 0.816,1038 0.877,1039 0.901,1040 5.064,1041 1.557,1042 5.922,1043 3.594,1044 4.595,1045 5.069,1046 1.145,1047 6.686,1048 4.549,1049 6.207,1050 1.515,1051 7.439,1052 3.341,1053 3.892,1054 4.745,1055 0.325,1056 7.548,1057 3.806,1058 7.48,1059 1.378,1060 9.074,1061 3.329,1062 6.111,1063 7.237,1064 0.634,1065 10.712,1066 6.02,1067 8.8,1068 1.347,1069 10.787,1070 3.196,1071 6.365,1072 7.886,1073 0.268,1074 12.517,1075 6.235,1076 10.168,1077 1.247,1078 12.552,1079 2.904,1080 7.956,1081 9.797,1082 0.364,1083 15.169,1084 7.819,1085 11.57,1086 1.099,1087 14.354,1088 2.902,1089 8.689,1090 10.895,1091 0.188,1092 17.327,1093 8.519,1094 12.997,1095 1,1096 16.18,1097 2.396,1098 10.011,1099 12.567,1100 0.215,1101 19.814,1102 9.829,1103 3.226,1104 0.815,1105 18.023,1106 2.304,1107 10.974,1108 13.877,1109 0.125,1110 22.114,1111 10.763,1112 2.958,1113 11.348,1114 19.878,1115 1.812,1116 12.186,1117 15.448,1118 0.129,1119 24.548,1120 11.96,1121 2.532,1122 9.738,1123 21.743,1124 4.564,1125 13.253,1126 16.86,1127 0.082,1128 26.909,1129 13.002,1130 2.182,1131 8.37,1132 23.615,1133 3.853,1134 14.424,1135 18.392,1136 0.079,1137 29.328,1138 14.154,1139 2.03,1140 6.711,1141 25.492,1142 3.437,1143 15.538,1144 19.853,1145 0.054,1146 31.718,1147 15.245,1148 1.915,1149 5.33,1150 27.374,1151 2.893,1152 16.695,1153 21.37,1154 0.048,1155 34.134,1156 16.383,1157 1.736,1158 3.885,1159 29.26,1160 2.318,1161 17.831,1162 22.856,1163 0.035,1164 36.539,1165 17.498,1166 22646,1167 30220,1168 26.118,1169 50.251,1170 54.582,1171 54.757,1172 55.909,1173 54.632,1174 54.593,1175 67.473,1176 3.715,1177 145.623,1178 53.307,1179 5.613,1180 5.361,1181 6.774,1182 5.247,1183 5.226,1184 7.564,1185 1.457,1186 18.879,1187 5.162,1188 12.23,1189 1.436,1190 1.441,1191 1.471,1192 1.438,1193 1.437,1194 1.776,1195 0.098,1196 3.832,1197 1.403,1198 4.116,1199 4.148,1200 4.075,1201 4.043,1202 4.973,1203 4.047,1204 3.954,1205 3.995,1206 3.887,1207 3.874,1208 4.757,1209 3.872,1210 3.792,1211 3.856,1212 3.636,1213 3.675,1214 4.413,1215 3.656,1216 3.732,1217 3.781,1218 3.613,1219 3.648,1220 4.289,1221 3.633,1222 3.643,1223 3.719,1224 3.478,1225 3.49,1226 4.242,1227 3.475,1228 3.463,1229 3.555,1230 3.297,1231 3.269,1232 4.201,1233 3.263,1234 3.428,1235 3.516,1236 3.259,1237 3.206,1238 4.078,1239 3.207,1240 3.289,1241 3.366,1242 3.137,1243 3.145,1244 3.976,1245 3.135,1246 0.122,1247 0.088,1248 0.18,1249 0.111,1250 0.085,1251 4.64,1252 0.12,1253 3.361,1254 0.021,1255 6.829,1256 0.299,1257 4.207,1258 0.083,1259 3.226,1260 4.564,1261 0.8,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.439,1269 2.163,1270 1.928,1271 1.896,1272 2.064,1273 2.04,1274 1.414,1275 2.048,1276 1.804,1277 1.743,1278 2.035,1279 1.961,1280 1.264,1281 1.993,1282 1.754,1283 1.709,1284 1.949,1285 1.873,1286 1.186,1287 1.902,1288 1.652,1289 1.582,1290 1.912,1291 1.843,1292 1.144,1293 1.87,1294 1.448,1295 1.366,1296 1.738,1297 1.696,1298 1.001,1299 1.716,1300 1.411,1301 1.318,1302 1.712,1303 1.651,1304 0.803,1305 1.677,1306 1.287,1307 1.221,1308 1.548,1309 1.497,1310 0.763,1311 1.521,1312 4.344,1314 5.609,1316 7.084,1318 8.673,1320 10.329,1322 4.228,1328 17.228,1329 7.44,1333 2.194,1340 45.622,1341 96.204,1342 236.496,1343 339.821,1344 406.515,1345 436.979,1346 448.489,1347 55.413,1348 7.982,1349 40.19,1350 40.19,1351 24,1352 12.597,1353 4.17,1354 3.248,1355 60.434,1356 229,1357 166,1358 0.123,1359 282.317,1360 485.6,1361 680.615,1362 45504,1364 24.296,1365 0.694,1366 0.626,1367 24.296,1368 21.913,1369 17.237,1370 0.454,1371 0.364,1372 13.745,1373 16.919,1374 13.361,1375 11.209,1376 17.237,1377 13.841,1378 14.382,1379 0.294,1380 0.209,1381 14.382,1382 10.238,1383 11.828,1384 0.185,1385 0.114,1386 11.828,1387 7.29,1388 9.993,1389 0.12,1390 0.065,1391 9.993,1392 5.366,1393 8.2,1394 0.079,1395 0.037,1396 8.2,1397 3.851,1398 0.21,1399 105.529,1400 0.196,1401 33.804,1402 0.3,1403 174,1404 335.956,1405 180.911,1406 340.33,1407 485.49,1408 324,1409 200,1410 367.746,1411 208.16,1412 380.984,1413 555.26,1414 360,1415 8.453}
{0 CHEMBL2158019,1 1.372,2 17.553,3 7.21,4 51.986,5 152.361,6 7.271,7 0.721,8 4.325,9 4.44,10 3.888,11 3.937,12 5.377,13 3.902,14 4.856,15 5.012,16 4.233,17 4.34,18 5.863,19 4.28,20 5.126,21 5.339,22 4.276,23 4.454,24 6.055,25 4.366,26 5.154,27 5.367,28 4.176,29 4.438,30 6.089,31 4.328,32 5.15,33 5.388,34 4.017,35 4.387,36 6.017,37 4.24,38 5.116,39 5.373,40 3.936,41 4.316,42 5.96,43 4.15,44 5.026,45 5.29,46 3.882,47 4.168,48 5.896,49 4.025,50 4.87,51 5.111,52 3.868,53 4.046,54 5.837,55 3.952,56 0.055,57 0.931,58 14.1,59 6.358,60 9.929,61 8.375,62 0.205,63 1.561,64 25.786,65 10.837,66 24.582,67 14.453,68 0.283,69 1.983,70 36.729,71 14.591,72 38.819,73 19.781,74 0.351,75 2.039,76 38.049,77 14.701,78 48.165,79 19.767,80 0.395,81 2.003,82 38.739,83 15.415,84 47.511,85 21.173,86 0.36,87 1.89,88 37.944,89 15.742,90 47.757,91 22.131,92 0.285,93 1.704,94 35.493,95 14.106,96 43.522,97 19.557,98 0.312,99 1.452,100 30.35,101 11.333,102 47.556,103 15.026,104 2,105 59,106 0.211,107 0.512,108 0.679,109 0.8,110 0.838,111 0.851,112 3.667,113 0.928,114 -5.74,115 -5.61,116 -5.23,121 47.8,123 3,127 3,144 16,145 5,146 1,153 1,154 3,160 1,176 20,180 9,183 1,185 5,187 20,192 10,197 6,200 16,206 6,211 4,214 17,218 1,219 1,223 1,224 1,227 23,231 1,232 1,235 1,237 2,239 17,244 7,247 1,249 2,251 8,256 10,261 3,264 6,269 6,274 3,277 15,281 3016,282 26.673,283 26.673,284 26.673,285 26.673,286 26.673,287 22.998,288 17.88,289 16.079,290 27.001,291 21.279,292 21.279,293 21.279,294 21.279,295 21.279,296 15.715,297 14.498,298 7.623,299 21.798,300 4.736,301 2.783,302 1.696,303 0.906,304 0.66,305 0.58,306 4.39,313 1511,314 4,317 190.865,318 459.477,321 506.973,325 3.044,326 22.447,329 0.5,330 0.33,331 0.67,332 0.7,333 0.5,334 0.83,335 1,336 0.65,337 79.5,338 667,339 4.814,340 3.557,341 7.044,342 4.31,343 3.341,344 4.919,345 1.058,346 12.133,347 3.242,348 4.524,349 3.368,350 6.526,351 4.048,352 3.061,353 4.473,354 0.86,355 10.264,356 3.02,357 4.187,358 3.135,359 6.029,360 3.821,361 2.821,362 3.767,364 8.588,365 2.818,366 3.778,367 2.871,368 5.71,369 3.353,370 2.407,371 3.418,373 7.367,374 2.266,375 3.727,376 2.29,377 5.701,378 3.269,379 2.278,380 3.069,382 7.33,383 2.256,384 3.597,385 2.278,386 5.313,387 3.164,388 2.206,389 3.044,391 6.86,392 2.108,393 3.417,394 2.226,395 5.13,396 3.038,397 2.051,398 2.767,400 6.008,401 2.024,402 3.046,403 2.054,404 4.245,405 2.653,406 1.681,407 2.318,409 4.001,410 1.628,411 2.997,412 1.692,413 4.162,414 2.521,415 1.547,416 2.242,418 3.739,419 1.505,420 2.928,421 1.547,422 3.959,423 2.51,424 1.531,425 1.997,427 3.508,428 1.498,429 2.817,430 1.518,431 3.85,432 2.479,433 1.488,434 1.976,436 3.153,437 1.468,438 2.697,439 1.501,440 3.68,441 2.31,442 1.317,443 1.738,445 3.032,446 1.306,447 2.658,448 1.317,449 3.597,450 2.213,451 1.215,452 1.693,454 2.83,455 1.209,456 2.5,457 1.234,458 3.541,459 2,460 1.04,461 1.5,463 2.449,464 1,465 2.5,466 1.176,467 3.501,468 2,469 1,470 1.5,472 2.412,473 1,474 18.367,475 0.483,476 0.654,477 0.017,478 52,479 1.368,480 28,481 0.737,482 24,483 0.632,484 31.048,485 0.817,486 38.633,487 0.56,488 39.215,489 1.032,490 10.286,491 0.271,492 8.49,493 0.223,494 0.018,496 0.294,501 0.819,502 1.124,503 0.803,504 0.963,505 0.613,506 0.889,507 0.986,508 1.131,509 0.961,510 1.028,511 0.658,512 0.994,513 1.15,514 1.023,515 0.946,516 0.947,517 0.853,518 0.928,519 1.411,520 1.092,521 1.192,522 1.073,523 1.358,524 1.102,525 1.04,526 0.997,527 1.169,528 1.085,529 1.223,530 1.131,531 0.506,532 1.044,533 0.979,534 1.115,535 0.613,536 1.1,537 0.915,538 1,539 0.89,540 1.021,541 0.986,542 0.968,543 1.719,544 0.871,545 0.945,546 0.848,547 1.64,548 0.83,549 4.5,550 0.115,551 4.222,552 3.028,553 1.004,554 0.792,555 0.464,556 0.392,557 0.291,558 0.247,559 31668,560 70169,561 2.208,562 44.9,564 22,565 1,567 2,569 6,572 1.777,573 2.151,574 4.001,575 0.044,582 94.688,583 1.372,584 3.326,585 4.413,586 5.202,587 5.449,588 5.529,589 3.421,590 4.774,591 5.224,592 4.296,593 3019.86,594 9.137,595 57006.3,600 421.488,601 1.03,602 5.213,603 0.105,604 0.003,605 0.072,606 0.05,607 0.019,608 0.018,609 0.012,610 0.011,611 0.008,612 0.006,613 0.304,614 0.33,615 0.63,616 0.276,617 219.554,618 -0.014,619 -0.041,620 0.06,621 0.012,622 -0.019,623 0.039,624 0.007,625 -0.07,626 -0.045,627 -0.06,628 0.028,629 -0.059,630 -0.061,631 -0.012,632 0.034,633 0.028,634 0.029,635 0.038,636 -0.187,637 -0.07,638 -0.204,639 -0.11,640 -0.137,641 -0.15,642 -0.047,643 -0.012,644 -0.178,645 -0.103,646 -0.139,647 -0.146,648 0.235,649 -0.109,650 0.01,651 -0.108,652 0.132,653 -0.076,654 0.14,655 -0.069,656 0.137,657 -0.021,658 0.101,659 0.045,660 -0.1,661 0.088,662 0.111,663 0.129,664 -0.035,665 0.14,666 1.734,667 5.584,668 0.737,669 52.211,670 0.99,671 1.112,672 4.512,673 20.357,674 0.69,675 3.784,676 4.094,677 4.419,678 4.71,679 4.92,680 4.963,681 5.069,682 5.136,683 5.056,684 5.106,685 10.59,686 0.65,687 501.67,688 3.784,689 5.323,690 6.188,691 7.067,692 7.95,693 8.838,694 9.728,695 10.622,696 11.516,697 12.413,698 4.3,705 1,706 2,714 6,715 17,717 1,720 3,721 1,722 31,729 1,739 1,741 69,743 32,744 4,745 43,747 74,748 33,749 26,750 8,751 16,752 1,756 6,757 10,770 3,772 27,773 6,777 1,782 1,786 1,793 31,794 3,795 2,796 5,802 3,808 0.5,809 2,824 2,828 2,829 4,832 3,859 3,868 38,876 6,877 1,878 1,893 2.9,896 1,898 1,901 17.667,902 12.2,903 8.389,904 4.339,907 6.112,908 1.688,909 1.048,910 7.254,911 14.991,912 4.103,913 4.754,914 5.445,915 6.11,916 6.67,917 6.991,918 7.411,919 7.778,920 7.792,921 8.036,922 1,923 60,924 14.066,926 6.009,927 0.026,929 7.531,931 27.55,933 23.184,936 2.031,937 77.167,941 341.362,942 207.545,943 36.695,945 36.145,948 207.545,949 377.507,950 36.695,952 34.418,953 160.667,954 29.85,955 49.018,956 18.204,957 329.591,959 341.362,960 244.241,961 36.145,964 270.735,965 106.771,968 53.103,969 191.138,972 341.362,973 72.84,974 207.545,977 341.362,978 46.878,979 162.566,980 34.796,981 36.145,982 341.362,983 72.84,984 207.545,986 0.572,987 0.345,988 0.198,989 0.107,990 29,991 11,992 0.135,993 10,994 3,995 1.214,996 5.205,997 358.585,998 0.214,999 28,1000 183.421,1005 24.478,1006 11.261,1007 5.269,1008 7.507,1009 54.156,1010 34.867,1012 3.282,1015 2.641,1016 2.413,1017 34.796,1018 621.747,1019 59.5,1024 12.584,1028 -0.067,1031 68.33,1032 76.727,1034 0.225,1035 0.544,1036 0.722,1037 0.852,1038 0.892,1039 0.905,1040 5.317,1041 1.681,1042 6.146,1043 6.008,1044 4.779,1045 5.442,1046 1.552,1047 6.963,1048 4.734,1049 6.526,1050 1.547,1051 7.699,1052 4.001,1053 4.205,1054 5.239,1056 7.895,1057 4.141,1058 7.838,1059 1.531,1060 9.362,1061 3.739,1062 6.361,1063 7.761,1064 1.527,1065 11.05,1066 6.272,1067 9.197,1068 1.488,1069 11.094,1070 3.508,1071 6.723,1072 8.515,1074 12.911,1075 6.613,1076 10.597,1077 1.317,1078 12.873,1079 3.153,1080 8.272,1081 10.444,1082 1.53,1083 15.573,1084 8.141,1085 12.028,1086 1.215,1087 14.684,1088 3.032,1089 9.077,1090 11.647,1092 17.803,1093 8.922,1094 13.483,1095 1.04,1096 16.519,1097 2.83,1098 10.385,1099 13.346,1100 1.557,1101 20.323,1102 10.21,1103 3.341,1104 1,1105 18.371,1106 2.449,1107 11.397,1108 14.755,1110 22.701,1111 11.195,1112 3.061,1113 12.133,1114 20.237,1115 2.412,1116 12.614,1117 16.367,1118 1.603,1119 25.184,1120 12.389,1121 2.821,1122 10.264,1123 22.115,1124 4.919,1125 13.719,1126 17.869,1128 27.623,1129 13.465,1130 2.407,1131 8.588,1132 24.001,1133 4.473,1134 14.906,1135 19.451,1136 1.663,1137 30.101,1138 14.626,1139 2.278,1140 7.367,1141 25.896,1142 3.767,1143 16.053,1144 20.994,1146 32.566,1147 15.743,1148 2.206,1149 7.33,1150 27.797,1151 3.418,1152 17.233,1153 22.568,1154 1.734,1155 35.046,1156 16.895,1157 2.051,1158 6.86,1159 29.704,1160 3.069,1161 18.401,1162 24.13,1164 37.523,1165 18.031,1166 28362,1167 42380,1168 30.107,1169 47.586,1170 64.408,1171 65.383,1172 65.315,1173 64.014,1174 64.006,1175 88.504,1176 3.837,1177 181.16,1178 62.57,1179 5.739,1180 5.557,1181 6.809,1182 5.376,1183 5.341,1184 7.919,1185 2.117,1186 19.331,1187 5.242,1188 8.471,1189 1.498,1190 1.521,1191 1.519,1192 1.489,1193 1.489,1194 2.058,1195 0.089,1196 4.213,1197 1.455,1198 4.232,1199 4.261,1200 4.2,1201 4.158,1202 7.429,1203 4.165,1204 4.123,1205 4.158,1206 4.078,1207 4.042,1208 5.012,1209 4.047,1210 3.933,1211 3.953,1212 3.881,1213 3.851,1214 4.964,1215 3.854,1216 3.678,1217 3.716,1218 3.595,1219 3.62,1220 4.83,1221 3.61,1222 3.656,1223 3.713,1224 3.516,1225 3.51,1226 4.548,1227 3.499,1228 3.565,1229 3.629,1230 3.439,1231 3.426,1232 4.333,1233 3.42,1234 3.38,1235 3.435,1236 3.29,1237 3.185,1238 4.308,1239 3.207,1240 3.29,1241 3.358,1242 3.162,1243 3.105,1244 4.122,1245 3.109,1246 0.112,1247 0.083,1248 0.164,1249 0.1,1250 0.078,1251 4.814,1252 0.114,1253 3.557,1254 0.025,1255 7.044,1256 0.282,1257 4.31,1258 0.075,1259 3.341,1260 4.919,1261 1.058,1262 12.133,1263 3.242,1264 1.987,1265 1.97,1266 2.073,1267 2.047,1268 1.313,1269 2.05,1270 1.941,1271 1.918,1272 2.042,1273 2.037,1274 1.235,1275 2.044,1276 1.908,1277 1.882,1278 2.031,1279 2.023,1280 1.217,1281 2.029,1282 1.893,1283 1.861,1284 1.993,1285 1.999,1286 1.09,1287 1.997,1288 1.655,1289 1.599,1290 1.875,1291 1.845,1292 1.055,1293 1.852,1294 1.631,1295 1.574,1296 1.84,1297 1.789,1298 1.02,1299 1.815,1300 1.333,1301 1.275,1302 1.534,1303 1.597,1304 0.74,1305 1.581,1306 1.255,1307 1.186,1308 1.511,1309 1.483,1310 0.587,1311 1.498,1312 4.466,1314 5.778,1315 3.045,1316 7.291,1317 5.533,1318 8.898,1319 7.743,1320 10.555,1328 4.954,1329 3.024,1330 5.962,1340 44.869,1341 94.688,1342 229.472,1343 304.469,1344 358.959,1345 375.978,1346 381.488,1347 53.714,1348 8.879,1349 59.05,1350 59.05,1351 34,1352 12.938,1353 5.044,1354 4.129,1355 53.778,1356 249,1357 208,1358 0.101,1359 270.349,1360 453.52,1361 651.412,1362 136149,1364 25.736,1365 0.677,1366 0.561,1367 25.736,1368 21.321,1369 18.776,1370 0.437,1371 0.309,1372 13.187,1373 18.343,1374 12.935,1375 10.691,1376 18.776,1377 13.298,1378 16.261,1379 0.276,1380 0.163,1381 16.261,1382 9.631,1383 14.462,1384 0.176,1385 0.088,1386 14.462,1387 7.196,1388 12.438,1389 0.113,1390 0.048,1391 12.438,1392 5.26,1393 10.154,1394 0.075,1395 0.027,1396 10.154,1397 3.673,1398 0.169,1399 115.587,1400 0.182,1401 35.882,1402 0.249,1403 204,1404 497.782,1405 215.946,1406 491.573,1407 696.37,1408 466,1409 243,1410 529.274,1411 255.476,1412 539.013,1413 794.34,1414 513,1415 5.843}
{0 CHEMBL2159651,1 1.398,2 17.147,3 6.01,4 36.124,5 136.034,6 7.168,7 0.684,8 4.23,9 4.349,10 3.776,11 3.818,12 5.279,13 3.783,14 4.76,15 4.923,16 4.102,17 4.211,18 5.765,19 4.149,20 5.02,21 5.242,22 4.098,23 4.303,24 5.945,25 4.204,26 5.031,27 5.257,28 3.954,29 4.249,30 5.962,31 4.125,32 4.996,33 5.254,34 3.761,35 4.148,36 5.838,37 3.989,38 4.894,39 5.157,40 3.742,41 4.063,42 5.754,43 3.909,44 4.816,45 5.069,46 3.756,47 3.974,48 5.737,49 3.855,50 4.702,51 4.931,52 3.748,53 3.91,54 5.705,55 3.826,56 0.05,57 0.87,58 13.213,59 5.829,60 9.127,61 7.747,62 0.204,63 1.435,64 24.104,65 9.811,66 23.396,67 13.236,68 0.271,69 1.764,70 33.686,71 13.067,72 37.525,73 17.909,74 0.33,75 1.768,76 34.519,77 12.931,78 47.894,79 17.655,80 0.388,81 1.677,82 34.316,83 12.946,84 45.153,85 18.087,86 0.337,87 1.49,88 30.793,89 12.249,90 41.759,91 17.352,92 0.263,93 1.364,94 28.616,95 10.995,96 37.681,97 15.197,98 0.281,99 1.225,100 25.419,101 9.273,102 41.733,103 12.368,104 2,105 51,106 0.22,107 0.538,108 0.72,109 0.846,110 0.883,111 0.893,112 3.559,113 0.938,114 -5.12,115 -5.02,116 -4.7,121 46,123 3,127 3,144 13,145 4,146 1,153 2,154 2,160 1,176 16,180 8,183 1,185 5,187 15,192 8,197 6,200 11,206 5,211 4,214 10,218 1,219 1,223 1,224 1,227 13,231 1,232 1,235 1,237 2,239 11,244 6,247 1,249 2,251 7,256 8,261 3,264 6,269 5,274 3,277 13,281 2268,282 23.758,283 23.758,284 23.758,285 23.758,286 23.758,287 20.629,288 17.88,289 14.38,290 24.096,291 18.791,292 18.791,293 18.791,294 18.791,295 18.791,296 14.069,297 14.498,298 6.822,299 19.312,300 4.58,301 2.567,302 1.41,303 0.615,304 0.381,305 0.317,306 4.273,312 1,313 1304,314 3.873,317 185.789,318 349.017,321 343.794,325 3.021,326 20.862,329 1,330 0.67,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.83,337 71.5,338 583,339 4.524,340 3.557,341 6.526,342 4.048,343 3.061,344 4.473,345 1.058,346 10.264,347 3.02,348 4.523,349 3.135,350 6.526,351 4.024,352 3.061,353 4.473,354 0.86,355 10.264,356 2.951,357 4.187,358 3.1,359 6.029,360 3.821,361 2.821,362 3.767,364 8.588,365 2.818,366 3.727,367 2.87,368 5.313,369 3.353,370 2.407,371 3.068,373 6.86,374 2.266,375 3.421,376 2.226,377 5.13,378 3.04,379 2.065,380 2.768,382 6.009,383 2.025,384 3.417,385 2.16,386 5.13,387 3.023,388 2.049,389 2.767,391 6.007,392 1.976,393 3.046,394 2.045,395 4.245,396 2.623,397 1.657,398 2.318,400 4.001,401 1.593,402 3.046,403 1.669,404 4.197,405 2.543,406 1.546,407 2.318,409 3.801,410 1.54,411 2.928,412 1.547,413 4.162,414 2.519,415 1.546,416 1.997,418 3.734,419 1.502,420 2.725,421 1.546,422 3.714,423 2.485,424 1.51,425 1.784,427 3.293,428 1.467,429 2.663,430 1.518,431 3.597,432 2.216,433 1.221,434 1.728,436 2.832,437 1.211,438 2.573,439 1.265,440 3.572,441 2.155,442 1.175,443 1.587,445 2.752,446 1.148,447 2.5,448 1.176,449 3.414,450 2,451 1,452 1.5,454 2.275,455 1,456 2.273,457 1.016,458 3.338,459 1.926,460 0.948,461 1.19,463 2.132,464 0.92,465 2.142,466 1,467 3.21,468 1.791,469 0.826,470 1.033,472 1.855,473 0.791,474 16.367,475 0.481,476 0.568,477 0.017,478 45.5,479 1.338,480 24,481 0.706,482 21.5,483 0.632,484 26.668,485 0.784,486 35.233,487 0.559,488 32.853,489 0.966,490 9.044,491 0.266,492 7.732,493 0.227,494 0.02,496 0.269,501 0.827,502 1.184,503 0.82,504 1.006,505 0.609,506 0.922,507 1.009,508 1.139,509 0.989,510 1.046,511 0.656,512 1.016,513 1.147,514 1.04,515 0.988,516 0.993,517 0.872,518 0.976,519 1.398,520 1.122,521 1.213,522 1.115,523 1.419,524 1.139,525 1.064,526 0.954,527 1.123,528 1.033,529 1.276,530 1.077,531 0.539,532 0.992,533 0.895,534 1.041,535 0.611,536 1.013,537 1.045,538 0.985,539 0.874,540 0.983,541 1.086,542 0.927,543 1.716,544 0.87,545 0.975,546 0.833,547 1.755,548 0.831,549 4.5,550 0.102,551 3.778,552 1.958,553 0.787,554 0.584,555 0.379,556 0.38,557 0.251,558 0.181,559 23618,560 52844,561 2.182,562 46,564 19,565 2,567 2,569 6,572 1.749,573 2.125,574 4.002,575 0.089,582 88.051,583 1.398,584 3.41,585 4.567,586 5.362,587 5.596,588 5.66,589 3.469,590 4.572,591 5.061,592 4.251,593 2385.01,594 8.809,595 41888.8,600 376.569,601 1.012,602 5.053,603 0.118,604 0.003,605 0.074,606 0.04,607 0.02,608 0.018,609 0.012,610 0.012,611 0.007,612 0.005,613 0.31,614 0.33,615 0.88,616 0.299,617 190.921,618 -0.017,619 -0.066,620 0.058,621 -0.003,622 -0.016,623 0.03,624 -0.008,625 -0.058,626 -0.06,627 -0.064,628 0.033,629 -0.067,630 -0.072,631 -0.039,632 -0.006,633 -0.013,634 0.024,635 -0.004,636 -0.177,637 -0.12,638 -0.216,639 -0.149,640 -0.15,641 -0.181,642 -0.023,643 0.013,644 -0.117,645 -0.06,646 -0.131,647 -0.093,648 0.278,649 -0.06,650 0.096,651 -0.043,652 0.188,654 0.112,655 -0.05,656 0.144,657 0.004,658 0.099,659 0.065,660 -0.15,661 0.099,662 0.064,663 0.136,664 -0.075,665 0.125,666 1.731,667 5.491,668 0.706,669 48.042,670 0.991,671 1.116,672 3.895,673 15.168,674 0.68,675 3.664,676 3.951,677 4.234,678 4.466,679 4.595,680 4.585,681 4.644,682 4.682,683 4.585,684 4.663,685 10.132,686 0.64,687 451.61,688 3.664,689 5.187,690 6.033,691 6.891,692 7.748,693 8.611,694 9.472,695 10.337,696 11.2,697 12.067,698 4.8,705 1,706 2,714 4,715 15,717 1,720 3,721 1,722 26,729 1,739 1,741 63,743 27,744 3,745 38,747 67,748 29,749 22,750 6,751 12,752 1,756 5,757 7,770 3,772 23,773 6,777 1,782 1,786 1,793 29,794 3,795 2,796 5,802 3,808 0.6,809 2,824 2,828 2,829 3,832 2,859 3,868 34,876 6,877 1,878 1,893 3.2,896 1,898 1,901 16,902 11.033,903 7.556,904 3.925,907 4.871,908 1.593,909 1.028,910 7.084,911 13.08,912 3.97,913 4.585,914 5.223,915 5.814,916 6.257,917 6.452,918 6.75,919 6.987,920 6.625,921 6.81,922 1,923 49,924 12.583,926 5.313,927 0.026,929 7.554,931 24.587,933 20.388,936 2.054,937 69.833,941 317.82,942 183.447,943 36.695,945 36.145,948 183.447,949 353.965,950 36.695,952 34.418,953 141.286,954 29.85,955 46.445,956 27.83,957 294.278,959 317.82,960 220.142,961 36.145,964 247.193,965 106.771,968 53.103,969 167.039,972 317.82,973 72.84,974 183.447,977 317.82,978 42.161,979 143.185,980 34.796,981 36.145,982 317.82,983 72.84,984 183.447,986 0.57,987 0.338,988 0.185,989 0.093,990 24,991 9,992 0.149,993 10,994 2,995 1.167,996 4.932,997 295.031,998 0.167,999 24,1000 166.974,1005 22.454,1006 10.727,1007 5.435,1008 4.886,1009 54.156,1010 30.368,1012 3.275,1015 2.65,1016 2.293,1017 34.796,1018 574.107,1019 52,1024 12.491,1028 -0.064,1031 62.447,1032 70.311,1034 0.234,1035 0.571,1036 0.764,1037 0.897,1038 0.936,1039 0.947,1040 5.173,1041 1.546,1042 5.979,1043 4.001,1044 4.635,1045 5.273,1046 1.552,1047 6.749,1048 4.584,1049 6.366,1050 1.546,1051 7.506,1052 3.801,1053 4.007,1054 4.997,1056 7.582,1057 3.941,1058 7.662,1059 1.51,1060 9.139,1061 3.734,1062 6.18,1063 7.532,1064 1.527,1065 10.685,1066 6.084,1067 9.002,1068 1.221,1069 10.838,1070 3.293,1071 6.479,1072 8.209,1074 12.43,1075 6.367,1076 10.382,1077 1.175,1078 12.582,1079 2.832,1080 8.028,1081 10.134,1082 1.53,1083 15.007,1084 7.893,1085 11.789,1086 1,1087 14.357,1088 2.752,1089 8.762,1090 11.251,1092 17.101,1093 8.61,1094 13.218,1095 0.948,1096 16.154,1097 2.275,1098 10.052,1099 12.926,1100 1.557,1101 19.509,1102 9.88,1103 3.061,1104 0.826,1105 17.967,1106 2.132,1107 10.989,1108 14.248,1110 21.738,1111 10.798,1112 3.061,1113 10.264,1114 19.791,1115 1.855,1116 12.17,1117 15.816,1118 1.603,1119 24.089,1120 11.96,1121 2.821,1122 10.264,1123 21.625,1124 4.473,1125 13.201,1126 17.232,1128 26.373,1129 12.969,1130 2.407,1131 8.588,1132 23.465,1133 4.473,1134 14.337,1135 18.756,1136 1.663,1137 28.706,1138 14.086,1139 2.065,1140 6.86,1141 25.311,1142 3.767,1143 15.41,1144 20.215,1146 31.012,1147 15.137,1148 2.049,1149 6.009,1150 27.162,1151 3.068,1152 16.529,1153 21.721,1154 1.734,1155 33.339,1156 16.235,1157 1.657,1158 6.007,1159 29.016,1160 2.768,1161 17.622,1162 23.199,1164 35.656,1165 17.306,1166 21406,1167 32172,1168 26.523,1169 42.824,1170 56.421,1171 57.196,1172 56.959,1173 55.956,1174 55.942,1175 76.407,1176 3.837,1177 154.239,1178 54.529,1179 5.446,1180 5.557,1181 6.294,1182 5.113,1183 5.061,1184 7.473,1185 2.117,1186 16.913,1187 5.02,1188 7.823,1189 1.485,1190 1.505,1191 1.499,1192 1.473,1193 1.472,1194 2.011,1195 0.101,1196 4.059,1197 1.435,1198 4.146,1199 4.183,1200 4.099,1201 4.058,1202 7.429,1203 4.064,1204 4.11,1205 4.146,1206 4.066,1207 4.025,1208 4.977,1209 4.031,1210 3.932,1211 3.952,1212 3.88,1213 3.85,1214 4.932,1215 3.854,1216 3.656,1217 3.714,1218 3.518,1219 3.515,1220 4.829,1221 3.503,1222 3.567,1223 3.63,1224 3.445,1225 3.426,1226 4.338,1227 3.421,1228 3.411,1229 3.465,1230 3.309,1231 3.268,1232 4.313,1233 3.267,1234 3.361,1235 3.424,1236 3.249,1237 3.176,1238 4.274,1239 3.194,1240 3.167,1241 3.216,1242 3.041,1243 2.98,1244 4.086,1245 2.987,1246 0.119,1247 0.094,1248 0.172,1249 0.107,1250 0.081,1251 4.524,1252 0.118,1253 3.557,1254 0.028,1255 6.526,1256 0.27,1257 4.048,1258 0.079,1259 3.061,1260 4.473,1261 1.058,1262 10.264,1263 3.02,1264 1.942,1265 1.918,1266 2.045,1267 2.04,1268 1.305,1269 2.043,1270 1.938,1271 1.912,1272 2.041,1273 2.023,1274 1.235,1275 2.029,1276 1.899,1277 1.879,1278 2.002,1279 2,1280 1.132,1281 2.001,1282 1.71,1283 1.65,1284 1.93,1285 1.879,1286 1.079,1287 1.897,1288 1.649,1289 1.592,1290 1.842,1291 1.831,1292 1.022,1293 1.839,1294 1.455,1295 1.399,1296 1.656,1297 1.662,1298 0.84,1299 1.663,1300 1.325,1301 1.261,1302 1.524,1303 1.582,1304 0.587,1305 1.573,1306 1.146,1307 1.091,1308 1.418,1309 1.356,1310 0.558,1311 1.372,1312 4.344,1314 5.638,1315 3.045,1316 7.124,1317 5.416,1318 8.696,1319 7.516,1320 10.314,1328 5.049,1329 3.011,1330 5.874,1340 40.342,1341 88.051,1342 214.84,1343 287.708,1344 337.814,1345 352.569,1346 356.569,1347 49.386,1348 8.209,1349 59.05,1350 59.05,1351 28,1352 12.613,1353 4.807,1354 3.907,1355 50.67,1356 213,1357 168,1358 0.111,1359 245.228,1360 412.86,1361 590.116,1362 60062,1364 23.167,1365 0.681,1366 0.564,1367 23.167,1368 19.167,1369 16.776,1370 0.441,1371 0.313,1372 11.765,1373 16.336,1374 11.544,1375 9.556,1376 16.776,1377 11.877,1378 14.419,1379 0.283,1380 0.167,1381 14.419,1382 8.513,1383 12.581,1384 0.185,1385 0.091,1386 12.581,1387 6.214,1388 10.432,1389 0.121,1390 0.051,1391 10.432,1392 4.364,1393 7.981,1394 0.081,1395 0.029,1396 7.981,1397 2.865,1398 0.188,1399 103.625,1400 0.194,1401 33.038,1402 0.274,1403 178,1404 447.782,1405 189.613,1406 439.618,1407 615.95,1408 416,1409 208,1410 461.922,1411 219.977,1412 469.746,1413 686.2,1414 446,1415 5}
{0 CHEMBL2159652,1 1.421,2 18.949,3 6.988,4 48.829,5 153.928,6 7.395,7 0.705,8 4.347,9 4.458,10 3.918,11 3.94,12 5.418,13 3.914,14 4.873,15 5.019,16 4.26,17 4.335,18 5.909,19 4.285,20 5.131,21 5.335,22 4.292,23 4.427,24 6.098,25 4.352,26 5.139,27 5.344,28 4.195,29 4.379,30 6.124,31 4.289,32 5.108,33 5.335,34 4.024,35 4.311,36 6.026,37 4.188,38 5.051,39 5.293,40 3.953,41 4.265,42 5.936,43 4.123,44 5.007,45 5.259,46 3.902,47 4.177,48 5.897,49 4.044,50 4.917,51 5.152,52 3.885,53 4.087,54 5.875,55 3.987,56 0.047,57 0.948,58 14.117,59 6.467,60 9.876,61 8.261,62 0.203,63 1.554,64 25.908,65 11.101,66 26.454,67 14.294,68 0.311,69 1.943,70 36.966,71 14.552,72 43.243,73 19.154,74 0.432,75 1.949,76 37.746,77 14.265,78 55.22,79 18.603,80 0.516,81 1.868,82 37.611,83 14.379,84 55.464,85 19.142,86 0.376,87 1.769,88 35.261,89 14.248,90 47.098,91 19.734,92 0.291,93 1.671,94 34.442,95 13.579,96 43.77,97 18.693,98 0.329,99 1.503,100 31.654,101 11.894,102 49.224,103 15.681,104 2,105 60,106 0.218,107 0.524,108 0.685,109 0.805,110 0.851,111 0.884,112 3.692,113 0.917,114 -5.24,115 -5.13,116 -4.8,121 47.1,123 3,127 3,144 15,145 5,146 2,153 1,154 3,160 1,176 18,180 7,183 1,185 9,187 18,192 8,197 9,200 14,206 6,209 1,211 6,214 13,218 1,219 3,223 1,224 1,227 18,231 1,232 2,235 1,237 3,239 15,244 5,247 1,249 3,251 10,256 8,261 3,264 9,269 6,272 1,274 3,277 12,281 3323,282 27.327,283 27.327,284 27.327,285 27.327,286 27.327,287 23.673,288 18.528,289 16.514,290 27.741,291 21.785,292 21.785,293 21.785,294 21.785,295 21.785,296 16.231,297 17.812,298 7.858,299 22.43,300 4.708,301 2.713,302 1.664,303 0.884,304 0.582,305 0.371,306 4.414,312 1,313 1670,314 4.123,317 189.52,318 491.842,321 521.437,325 3.137,326 26.89,329 0.75,330 0.5,331 0.67,332 0.7,333 0.5,334 0.67,335 0.5,336 0.61,337 82.5,338 739,339 4.759,340 3.557,341 6.937,342 4.255,343 3.275,344 4.858,345 1.058,346 11.741,347 3.207,348 4.524,349 3.338,350 6.526,351 4.048,352 3.061,353 4.473,354 0.86,355 10.264,356 3.02,357 4.187,358 3.135,359 6.029,360 3.821,361 2.821,362 3.767,363 0.86,364 8.588,365 2.818,366 3.909,367 2.871,368 5.796,369 3.434,370 2.471,371 3.551,373 7.831,374 2.381,375 3.727,376 2.698,377 5.313,378 3.352,379 2.406,380 3.068,382 6.86,383 2.266,384 3.471,385 2.226,386 5.192,387 3.039,388 2.052,389 2.893,391 6.168,392 2.024,393 3.417,394 2.175,395 5.13,396 2.995,397 2.043,398 2.767,400 6.008,401 1.933,402 3.076,403 2.058,404 4.656,405 2.72,406 1.75,407 2.339,409 4.626,410 1.691,411 3.046,412 1.817,413 4.245,414 2.573,415 1.598,416 2.318,418 4.001,419 1.558,420 2.935,421 1.633,422 4.162,423 2.521,424 1.547,425 2.121,427 3.739,428 1.504,429 2.917,430 1.547,431 3.79,432 2.508,433 1.533,434 1.998,436 3.462,437 1.486,438 2.742,439 1.518,440 3.747,441 2.409,442 1.424,443 1.775,445 3.093,446 1.4,447 2.662,448 1.477,449 3.597,450 2.217,451 1.226,452 1.726,454 2.831,455 1.212,456 2.61,457 1.384,458 3.581,459 2.149,460 1.171,461 1.649,463 2.644,464 1.141,465 2.5,466 1.176,467 3.414,468 2,469 1.037,470 1.5,472 2.324,473 1,474 18.7,475 0.479,476 0.671,477 0.017,478 53.25,479 1.365,480 28.5,481 0.731,482 24.75,483 0.635,484 31.675,485 0.812,486 40.1,487 0.573,488 40.424,489 1.037,490 10.593,491 0.272,492 8.666,493 0.222,494 0.018,496 0.294,501 0.85,502 1.094,503 0.793,504 0.965,505 0.648,506 0.88,507 1.038,508 1.137,509 0.954,510 1.053,511 0.714,512 1.004,513 1.219,514 1.041,515 0.958,516 0.977,517 0.93,518 0.943,519 1.438,520 1.082,521 1.162,522 1.067,523 1.415,524 1.078,525 1.211,526 0.968,527 1.16,528 1.025,529 1.307,530 1.078,531 0.633,532 1.035,533 1.002,534 1.097,535 0.662,536 1.096,537 0.838,538 0.998,539 0.94,540 1.04,541 0.98,542 1.01,543 1.424,544 0.916,545 1.006,546 0.93,547 1.55,548 0.922,549 5,550 0.145,551 4,552 2.646,553 1.235,554 0.73,555 0.504,556 0.392,557 0.266,558 0.192,559 35193,560 81368,561 2.203,562 44.3,564 21,565 1,567 3,569 6,572 1.782,573 2.147,574 4.118,575 0.671,582 99.495,583 1.421,584 3.417,585 4.465,586 5.245,587 5.547,588 5.758,589 3.535,590 5.132,591 5.262,592 4.392,593 3254.53,594 9.206,595 63946.2,600 429.05,601 1.018,602 5.251,603 0.114,604 0.004,605 0.067,606 0.044,607 0.024,608 0.017,609 0.013,610 0.01,611 0.007,612 0.005,613 0.304,614 0.17,615 0.63,616 0.271,617 228.508,618 -0.037,620 0.053,621 0.021,622 -0.035,623 0.047,624 -0.022,625 -0.09,626 -0.046,627 -0.07,628 0.016,629 -0.065,630 -0.079,631 -0.044,632 0.025,633 0.004,634 0.007,635 0.023,636 -0.128,637 -0.076,638 -0.159,639 -0.102,640 -0.127,641 -0.129,642 -0.044,643 0.009,644 -0.15,645 -0.046,646 -0.134,647 -0.101,648 0.156,649 -0.078,650 -0.018,651 -0.097,652 0.115,653 -0.081,654 0.073,655 -0.054,656 0.07,657 -0.043,658 0.07,659 0.005,660 -0.107,661 0.035,662 0.033,663 0.053,664 -0.072,665 0.061,666 1.747,667 5.559,668 0.718,669 56.621,670 0.995,671 1.113,672 4.008,673 16.064,674 0.686,675 3.807,676 4.111,677 4.419,678 4.7,679 4.898,680 4.942,681 5.043,682 5.124,683 5.043,684 5.094,685 11.218,686 0.651,687 517.67,688 3.807,689 5.342,690 6.201,691 7.074,692 7.948,693 8.831,694 9.712,695 10.599,696 11.485,697 12.376,698 4.3,705 1,706 2,714 6,715 16,717 2,720 4,722 31,729 1,739 2,741 70,743 32,744 4,745 44,747 75,748 33,749 26,750 9,751 15,752 1,756 6,757 10,770 3,772 27,773 6,777 1,782 1,786 1,793 31,794 4,795 3,796 6,802 3,808 0.5,809 3,824 2,828 2,829 4,832 3,859 3,868 39,876 6,877 1,878 2,893 4.3,896 1,898 2,901 18.167,902 12.333,903 8.611,904 4.34,907 6.154,908 1.688,909 1.043,910 7.729,911 15.1,912 4.119,913 4.762,914 5.44,915 6.1,916 6.651,917 6.978,918 7.395,919 7.787,920 7.816,921 8.078,922 1,923 60,924 14.433,926 6.162,927 0.026,929 7.573,931 28.078,933 23.441,936 2.073,937 80.833,941 329.591,942 205.799,943 51.582,945 47.145,948 205.799,949 376.736,950 51.582,952 36.905,953 151.191,954 29.85,955 80.148,956 18.204,957 317.82,959 329.591,960 257.381,961 47.145,964 258.964,965 117.771,968 70.476,969 186.905,972 329.591,973 98.727,974 205.799,977 329.591,978 54.608,979 151.191,980 51.582,981 47.145,982 329.591,983 98.727,984 205.799,986 0.571,987 0.34,988 0.193,989 0.103,990 29,991 11,992 0.147,993 11,994 3,995 1.214,996 5.345,997 365.061,998 0.214,999 28,1000 202.131,1005 25.386,1006 11.873,1007 5.762,1008 6.829,1009 65.155,1010 31.941,1012 6.729,1015 3.493,1017 51.582,1018 634.117,1019 60.5,1024 12.559,1028 -0.08,1031 69.658,1032 77.936,1034 0.232,1035 0.557,1036 0.729,1037 0.856,1038 0.905,1039 0.939,1040 5.332,1041 1.75,1042 6.155,1043 6.008,1044 4.796,1045 5.451,1046 1.824,1047 6.956,1048 4.743,1049 6.536,1050 1.598,1051 7.698,1052 4.626,1053 4.205,1054 5.239,1056 7.849,1057 4.148,1058 7.844,1059 1.547,1060 9.348,1061 4.001,1062 6.365,1063 7.757,1064 1.74,1065 10.992,1066 6.271,1067 9.197,1068 1.533,1069 11.066,1070 3.739,1071 6.698,1072 8.495,1074 12.815,1075 6.603,1076 10.591,1077 1.424,1078 12.831,1079 3.462,1080 8.249,1081 10.422,1082 1.692,1083 15.456,1084 8.126,1085 12.014,1086 1.226,1087 14.629,1088 3.093,1089 9.024,1090 11.606,1092 17.648,1093 8.896,1094 13.461,1095 1.171,1096 16.45,1097 2.831,1098 10.327,1099 13.3,1100 1.676,1101 20.14,1102 10.178,1103 3.275,1104 1.037,1105 18.29,1106 2.644,1107 11.311,1108 14.691,1110 22.48,1111 11.151,1112 3.061,1113 11.741,1114 20.143,1115 2.324,1116 12.517,1117 16.295,1118 1.688,1119 24.929,1120 12.338,1121 2.821,1122 10.264,1123 22.008,1124 4.858,1125 13.596,1126 17.779,1128 27.329,1129 13.402,1130 2.471,1131 8.588,1132 23.882,1133 4.473,1134 14.767,1135 19.351,1136 1.723,1137 29.771,1138 14.555,1139 2.406,1140 7.831,1141 25.764,1142 3.767,1143 15.89,1144 20.878,1146 32.198,1147 15.66,1148 2.052,1149 6.86,1150 27.651,1151 3.551,1152 17.051,1153 22.44,1154 1.776,1155 34.641,1156 16.802,1157 2.043,1158 6.168,1159 29.545,1160 3.068,1161 18.196,1162 23.987,1164 37.081,1165 17.927,1166 31523,1167 48101,1168 30.8,1169 48.04,1170 65.537,1171 66.786,1172 66.31,1173 65.22,1174 65.274,1175 89.736,1176 5.557,1177 183.204,1178 63.474,1179 5.692,1180 5.557,1181 6.762,1182 5.341,1183 5.275,1184 7.858,1185 2.117,1186 18.891,1187 5.207,1188 8.677,1189 1.489,1190 1.518,1191 1.507,1192 1.482,1193 1.484,1194 2.039,1195 0.126,1196 4.164,1197 1.443,1198 4.218,1199 4.245,1200 4.187,1201 4.143,1202 7.429,1203 4.151,1204 4.123,1205 4.158,1206 4.078,1207 4.042,1208 5.069,1209 4.046,1210 3.934,1211 3.955,1212 3.882,1213 3.851,1214 4.968,1215 3.855,1216 3.715,1217 3.753,1218 3.628,1219 3.627,1220 4.831,1221 3.622,1222 3.64,1223 3.688,1224 3.512,1225 3.502,1226 4.643,1227 3.492,1228 3.565,1229 3.628,1230 3.438,1231 3.426,1232 4.386,1233 3.419,1234 3.378,1235 3.433,1236 3.288,1237 3.181,1238 4.322,1239 3.203,1240 3.26,1241 3.316,1242 3.145,1243 3.053,1244 4.293,1245 3.065,1246 0.108,1247 0.081,1248 0.158,1249 0.097,1250 0.074,1251 4.759,1252 0.11,1253 3.557,1254 0.024,1255 6.937,1256 0.267,1257 4.255,1258 0.073,1259 3.275,1260 4.858,1261 1.058,1262 11.741,1263 3.207,1264 1.984,1265 1.971,1266 2.061,1267 2.045,1268 1.268,1269 2.05,1270 1.941,1271 1.918,1272 2.042,1273 2.025,1274 1.235,1275 2.031,1276 1.899,1277 1.88,1278 2.004,1279 2.004,1280 1.212,1281 2.004,1282 1.863,1283 1.829,1284 1.971,1285 1.995,1286 1.079,1287 1.99,1288 1.662,1289 1.605,1290 1.905,1291 1.858,1292 1.044,1293 1.871,1294 1.641,1295 1.584,1296 1.841,1297 1.814,1298 1.022,1299 1.831,1300 1.33,1301 1.27,1302 1.527,1303 1.597,1304 0.716,1305 1.58,1306 1.195,1307 1.139,1308 1.479,1309 1.464,1310 0.586,1311 1.466,1312 4.489,1314 5.796,1315 3.045,1316 7.3,1317 5.476,1318 8.899,1319 7.644,1320 10.548,1328 4.333,1329 3.011,1330 12.019,1340 45.584,1341 99.495,1342 239.162,1343 312.572,1344 367.176,1345 388.295,1346 403.05,1347 58.07,1348 8.945,1349 79.14,1350 79.14,1351 34,1352 12.906,1353 5.044,1354 4.129,1355 55.94,1356 271,1357 220,1358 0.096,1359 274.345,1360 462.31,1361 661.163,1362 153671,1364 26.443,1365 0.678,1366 0.557,1367 26.443,1368 21.705,1369 19.259,1370 0.438,1371 0.306,1372 13.308,1373 18.725,1374 13.072,1375 10.796,1376 19.259,1377 13.444,1378 16.699,1379 0.278,1380 0.161,1381 16.699,1382 9.643,1383 14.656,1384 0.179,1385 0.086,1386 14.656,1387 7.028,1388 12.54,1389 0.115,1390 0.046,1391 12.54,1392 5.019,1393 10.091,1394 0.076,1395 0.026,1396 10.091,1397 3.393,1398 0.162,1399 119.265,1400 0.18,1401 36.871,1402 0.234,1403 208,1404 542.205,1405 222.796,1406 527.577,1407 741.62,1408 500,1409 246,1410 558.461,1411 260.965,1412 565.986,1413 833,1414 538,1415 5}
{0 CHEMBL2159653,1 1.406,2 20.35,3 6.899,4 47.592,5 157.089,6 7.398,7 0.636,8 4.357,9 4.463,10 3.92,11 3.954,12 5.461,13 3.924,14 4.872,15 5.017,16 4.233,17 4.324,18 5.948,19 4.27,20 5.138,21 5.339,22 4.272,23 4.413,24 6.176,25 4.336,26 5.138,27 5.34,28 4.166,29 4.345,30 6.213,31 4.26,32 5.102,33 5.322,34 4.068,35 4.303,36 6.139,37 4.192,38 5.053,39 5.288,40 4.012,41 4.282,42 5.997,43 4.152,44 5.032,45 5.266,46 3.996,47 4.209,48 6.004,49 4.098,50 4.943,51 5.161,52 3.935,53 4.116,54 5.962,55 4.028,56 0.032,57 0.927,58 14.222,59 6.815,60 8.896,61 8.593,62 0.195,63 1.509,64 26.008,65 11.4,66 25.643,67 14.501,68 0.311,69 1.899,70 37.482,71 15.002,72 51.58,73 19.469,74 0.428,75 1.885,76 38.254,77 14.438,78 72.838,79 18.373,80 0.628,81 1.828,82 37.592,83 14.307,84 77.071,85 18.818,86 0.358,87 1.754,88 35.182,89 14.418,90 52.97,91 19.785,92 0.321,93 1.68,94 35.138,95 13.838,96 54.707,97 18.521,98 0.394,99 1.51,100 32.482,101 12.154,102 61.436,103 15.508,104 5,105 58,106 0.216,107 0.511,108 0.666,109 0.8,110 0.855,111 0.865,112 3.716,113 0.924,114 -5.62,115 -5.49,116 -5.12,121 47.2,123 3,127 3,144 17,145 5,146 2,153 1,154 1,159 1,160 1,176 21,180 9,183 1,185 5,187 21,192 12,197 6,200 16,206 8,211 4,214 15,218 2,219 4,223 1,224 1,227 20,231 1,232 3,235 1,237 2,239 17,244 8,247 1,249 2,251 11,256 10,261 3,264 10,269 5,274 3,277 15,281 3714,282 27.742,283 27.742,284 27.742,285 27.742,286 27.742,287 24.266,288 19.819,289 16.949,290 28.086,291 21.754,292 21.754,293 21.754,294 21.754,295 21.754,296 16.495,297 18.228,298 8.08,299 22.257,300 4.764,301 2.838,302 1.824,303 0.953,304 0.594,305 0.528,306 4.426,313 1789,314 4.359,317 117.725,318 620.777,321 217.095,325 3.283,326 34.553,329 0.5,330 0.67,331 0.67,332 0.5,333 0.5,334 0.67,335 0.5,336 0.57,337 85,338 814,339 4.524,340 3.584,341 6.526,342 4.048,343 3.061,344 4.473,345 1.058,346 10.264,347 3.036,348 4.344,349 3.557,350 6.402,351 4.004,352 2.987,353 3.935,354 0.86,355 9.727,356 3.02,357 4.187,358 3.135,359 6.029,360 3.821,361 2.821,362 3.767,363 0.86,364 8.588,365 2.818,366 3.905,367 2.881,368 5.479,369 3.48,370 2.515,371 3.466,373 7.275,374 2.427,375 3.727,376 2.865,377 5.313,378 3.352,379 2.406,380 3.068,382 6.86,383 2.266,384 3.451,385 2.226,386 5.13,387 3.041,388 2.066,389 2.785,391 6.008,392 2.025,393 3.417,394 2.218,395 5.032,396 3.037,397 2.05,398 2.767,400 5.833,401 2.001,402 3.046,403 2.073,404 4.245,405 2.713,406 1.737,407 2.318,409 4.002,410 1.688,411 2.973,412 1.994,413 4.162,414 2.532,415 1.561,416 2.142,418 3.74,419 1.509,420 2.927,421 1.725,422 3.902,423 2.517,424 1.545,425 1.998,427 3.511,428 1.498,429 2.739,430 1.547,431 3.765,432 2.473,433 1.481,434 1.791,436 3.279,437 1.463,438 2.667,439 1.518,440 3.597,441 2.222,442 1.234,443 1.733,445 2.831,446 1.216,447 2.651,448 1.427,449 3.505,450 2.198,451 1.202,452 1.687,454 2.673,455 1.195,456 2.5,457 1.323,458 3.414,459 2,460 1.045,461 1.5,463 2.276,464 1,465 2.5,466 1.176,467 3.354,468 2,469 1,470 1.5,472 2.275,473 1,474 19.133,475 0.478,476 0.674,477 0.017,478 54.5,479 1.363,480 30,481 0.75,482 24.5,483 0.613,484 31.702,485 0.793,486 41.467,487 0.576,488 43.196,489 1.08,490 11.01,491 0.275,492 8.66,493 0.217,494 0.035,496 0.261,501 0.749,502 1.086,503 0.79,504 0.996,505 0.581,506 0.909,507 0.968,508 1.115,509 0.974,510 1.078,511 0.665,512 1.034,513 1.166,514 1.042,515 0.967,516 1.006,517 0.877,518 0.968,519 1.519,520 1.082,521 1.173,522 1.053,523 1.567,524 1.062,525 1.122,526 0.949,527 1.109,528 0.979,529 1.283,530 1.031,531 0.589,532 1.039,533 0.94,534 1.072,535 0.675,536 1.058,537 0.979,538 1.011,539 0.942,540 1.026,541 0.948,542 0.99,543 1.552,544 0.912,545 1.066,546 0.911,547 1.384,548 0.923,549 5.5,550 0.112,551 4,552 2.229,553 1.138,554 0.809,555 0.565,556 0.411,557 0.284,558 0.188,559 37109,560 91576,561 2.138,562 44.4,564 23,565 1,567 2,569 6,572 1.789,573 2.069,574 4.26,575 0.05,582 101.261,583 1.406,584 3.332,585 4.345,586 5.217,587 5.576,588 5.642,589 3.718,590 4.696,591 5.297,592 4.499,593 3508.91,594 9.279,595 71789.2,600 444.235,601 1.076,602 5.283,603 0.125,604 0.003,605 0.069,606 0.038,607 0.023,608 0.018,609 0.013,610 0.01,611 0.007,612 0.005,613 0.311,614 0.17,615 0.5,616 0.349,617 237.619,618 -0.023,619 -0.007,620 0.045,621 0.007,622 -0.033,623 0.032,624 -0.024,625 -0.074,626 -0.07,627 -0.087,628 0.004,629 -0.086,630 -0.069,631 -0.053,632 0.017,633 -0.022,634 0.034,635 0.005,636 -0.184,637 -0.083,638 -0.157,639 -0.087,640 -0.14,641 -0.113,642 0.045,643 0.042,644 -0.097,645 -0.006,646 -0.059,647 -0.06,648 0.158,649 -0.069,650 0.034,651 -0.075,652 0.074,653 -0.043,654 0.035,655 -0.053,656 0.068,657 -0.037,658 0.016,659 0.01,660 -0.166,661 0.05,662 -0.024,663 0.065,664 -0.122,665 0.044,666 1.766,667 5.641,668 0.675,669 63.893,670 0.997,671 1.112,672 4.391,673 19.283,674 0.684,675 3.807,676 4.078,677 4.331,678 4.533,679 4.691,680 4.663,681 4.736,682 4.754,683 4.727,684 4.779,685 11.882,686 0.65,687 532.68,688 3.807,689 5.323,690 6.155,691 7,692 7.844,693 8.695,694 9.544,695 10.397,696 11.249,697 12.104,698 2.8,705 1,706 1,714 2,715 18,717 1,720 6,722 28,727 1,729 1,739 2,741 72,743 30,744 4,745 44,747 76,748 34,749 26,750 7,751 17,752 2,756 5,757 6,770 3,772 28,773 6,777 2,782 2,786 2,793 32,794 5,795 2,796 6,802 2,808 0.8,809 4,824 1,828 1,829 4,832 1,859 4,868 40,876 6,877 1,878 2,893 5.6,896 2,898 2,901 19.333,902 12.667,903 8.972,904 4.41,907 4.989,908 1.592,909 1.002,910 9.413,911 13.418,912 4.111,913 4.68,914 5.27,915 5.809,916 6.281,917 6.393,918 6.693,919 6.873,920 6.827,921 7.048,922 1,923 58,924 14.821,926 6.245,927 0.026,929 7.692,931 28.463,933 23.149,936 2.192,937 87.667,941 353.133,942 226.822,943 34.796,945 72.29,948 226.822,949 425.423,950 34.796,952 36.905,953 170.144,954 60.128,955 64.587,956 13.915,957 341.362,959 353.133,960 261.618,961 72.29,964 282.506,965 142.916,968 53.69,969 207.928,972 353.133,973 107.086,974 226.822,977 353.133,978 56.678,979 170.144,980 34.796,981 72.29,982 353.133,983 107.086,984 226.822,986 0.566,987 0.331,988 0.176,989 0.092,990 25,991 10,992 0.171,993 13,994 1,995 1.074,996 5.44,997 358.831,998 0.074,999 27,1000 204.877,1005 27.388,1006 13.748,1007 7.484,1008 2.295,1009 90.3,1010 33.872,1012 3.266,1015 4.469,1017 34.796,1018 687.041,1019 60,1024 25.177,1028 -0.119,1031 71.767,1032 80.062,1034 0.228,1035 0.54,1036 0.704,1037 0.846,1038 0.904,1039 0.914,1040 5.308,1041 1.737,1042 6.094,1043 5.833,1044 4.762,1045 5.368,1046 1.824,1047 6.838,1048 4.725,1049 6.487,1050 1.561,1051 7.607,1052 4.002,1053 4.111,1054 4.987,1056 7.615,1057 4.089,1058 7.767,1059 1.545,1060 9.226,1061 3.74,1062 6.286,1063 7.546,1064 1.74,1065 10.711,1066 6.227,1067 9.088,1068 1.481,1069 10.91,1070 3.511,1071 6.538,1072 8.079,1074 12.384,1075 6.506,1076 10.446,1077 1.234,1078 12.639,1079 3.279,1080 8.097,1081 10.037,1082 1.692,1083 14.957,1084 8.036,1085 11.83,1086 1.202,1087 14.398,1088 2.831,1089 8.781,1090 11.017,1092 16.987,1093 8.746,1094 13.234,1095 1.045,1096 16.178,1097 2.673,1098 10.074,1099 12.71,1100 1.676,1101 19.385,1102 10.022,1103 3.061,1104 1,1105 17.975,1106 2.276,1107 10.971,1108 13.924,1110 21.566,1111 10.939,1112 2.987,1113 10.264,1114 19.784,1115 2.275,1116 12.147,1117 15.493,1118 1.688,1119 23.902,1120 12.107,1121 2.821,1122 9.727,1123 21.602,1124 4.473,1125 13.147,1126 16.832,1128 26.151,1129 13.12,1130 2.515,1131 8.588,1132 23.427,1133 3.935,1134 14.274,1135 18.346,1136 1.723,1137 28.465,1138 14.243,1139 2.406,1140 7.275,1141 25.259,1142 3.767,1143 15.324,1144 19.751,1146 30.745,1147 15.301,1148 2.066,1149 6.86,1150 27.095,1151 3.466,1152 16.431,1153 21.243,1154 1.776,1155 33.054,1156 16.408,1157 2.05,1158 6.008,1159 28.936,1160 3.068,1161 17.505,1162 22.684,1164 35.348,1165 17.487,1166 34130,1167 53788,1168 30.394,1169 49.25,1170 64.952,1171 66.939,1172 65.449,1173 64.352,1174 64.382,1175 86.88,1176 5.557,1177 174.032,1178 63.128,1179 5.456,1180 5.584,1181 6.351,1182 5.124,1183 5.061,1184 7.473,1185 2.117,1186 17.061,1187 5.036,1188 12.719,1189 1.476,1190 1.521,1191 1.487,1192 1.463,1193 1.463,1194 1.975,1195 0.126,1196 3.955,1197 1.435,1198 4.13,1199 4.165,1200 4.084,1201 4.048,1202 7.43,1203 4.052,1204 3.994,1205 4.012,1206 3.944,1207 3.926,1208 7.426,1209 3.927,1210 3.929,1211 3.948,1212 3.877,1213 3.849,1214 4.973,1215 3.852,1216 3.823,1217 3.85,1218 3.751,1219 3.755,1220 4.852,1221 3.75,1222 3.656,1223 3.712,1224 3.517,1225 3.504,1226 4.814,1227 3.494,1228 3.565,1229 3.628,1230 3.439,1231 3.426,1232 4.716,1233 3.419,1234 3.377,1235 3.433,1236 3.288,1237 3.181,1238 4.356,1239 3.203,1240 3.258,1241 3.292,1242 3.175,1243 3.073,1244 4.317,1245 3.092,1246 0.103,1247 0.081,1248 0.148,1249 0.092,1250 0.07,1251 4.524,1252 0.102,1253 3.584,1254 0.024,1255 6.526,1256 0.233,1257 4.048,1258 0.069,1259 3.061,1260 4.473,1261 1.058,1262 10.264,1263 3.036,1264 1.957,1265 1.94,1266 2.055,1267 2.042,1268 1.262,1269 2.045,1270 1.941,1271 1.918,1272 2.042,1273 2.025,1274 1.235,1275 2.031,1276 1.899,1277 1.88,1278 2.005,1279 2.003,1280 1.132,1281 2.004,1282 1.824,1283 1.798,1284 1.956,1285 1.923,1286 1.079,1287 1.935,1288 1.661,1289 1.604,1290 1.898,1291 1.851,1292 1.022,1293 1.863,1294 1.64,1295 1.583,1296 1.841,1297 1.808,1298 1.008,1299 1.829,1300 1.33,1301 1.27,1302 1.527,1303 1.597,1304 0.715,1305 1.58,1306 1.187,1307 1.153,1308 1.476,1309 1.452,1310 0.586,1311 1.457,1312 4.489,1314 5.771,1315 2.398,1316 7.246,1317 4.727,1318 8.806,1319 6.823,1320 10.409,1328 4.037,1329 2.993,1330 11.678,1340 46.804,1341 101.261,1342 239.915,1343 312.873,1344 375.605,1345 401.48,1346 406.235,1347 75.546,1348 8.429,1349 80.42,1350 80.42,1351 29,1352 12.659,1353 4.954,1354 4.087,1355 64.757,1356 294,1357 232,1358 0.102,1359 285.606,1360 498.02,1361 688.638,1362 83285,1364 27.572,1365 0.689,1366 0.557,1367 27.572,1368 22.268,1369 19.67,1370 0.447,1371 0.308,1372 13.426,1373 19.13,1374 13.171,1375 10.915,1376 19.67,1377 13.559,1378 16.776,1379 0.289,1380 0.164,1381 16.776,1382 9.517,1383 14.347,1384 0.191,1385 0.089,1386 14.347,1387 6.68,1388 11.536,1389 0.125,1390 0.049,1391 11.536,1392 4.521,1393 8.987,1394 0.083,1395 0.027,1396 8.987,1397 2.963,1398 0.174,1399 121.898,1400 0.181,1401 37.869,1402 0.247,1403 204,1404 573.608,1405 218.846,1406 554.3,1407 759.98,1408 522,1409 235,1410 552.844,1411 249.627,1412 560.582,1413 815.57,1414 531,1415 5}
{0 CHEMBL2159654,1 1.406,2 21.075,3 6.899,4 47.592,5 157.089,6 7.398,7 0.636,8 4.357,9 4.463,10 3.92,11 3.954,12 5.461,13 3.924,14 4.872,15 5.017,16 4.233,17 4.324,18 5.948,19 4.27,20 5.138,21 5.339,22 4.272,23 4.413,24 6.178,25 4.336,26 5.137,27 5.34,28 4.148,29 4.345,30 6.215,31 4.255,32 5.097,33 5.323,34 4.021,35 4.294,36 6.09,37 4.174,38 5.038,39 5.28,40 3.973,41 4.254,42 5.992,43 4.116,44 4.984,45 5.228,46 3.947,47 4.161,48 5.93,49 4.045,50 4.89,51 5.107,52 3.911,53 4.045,54 5.93,55 3.971,56 0.032,57 0.927,58 14.222,59 6.815,60 8.896,61 8.593,62 0.195,63 1.509,64 26.008,65 11.4,66 25.532,67 14.501,68 0.311,69 1.899,70 37.482,71 15.002,72 51.864,73 19.469,74 0.442,75 1.885,76 38.281,77 14.439,78 75.273,79 18.362,80 0.522,81 1.826,82 37.419,83 14.342,84 69.008,85 18.976,86 0.453,87 1.728,88 34.978,89 14.245,90 58.904,91 19.76,92 0.254,93 1.615,94 33.476,95 13.353,96 45.854,97 18.204,98 0.393,99 1.421,100 31.032,101 11.356,102 60.839,103 14.338,104 5,105 58,106 0.216,107 0.511,108 0.659,109 0.773,110 0.827,111 0.839,112 3.716,113 0.924,114 -5.62,115 -5.49,116 -5.12,121 47.2,123 3,127 3,144 17,145 5,146 2,153 1,154 1,159 1,160 1,176 21,180 9,183 1,185 5,187 21,192 12,197 6,200 16,206 9,211 4,214 16,218 1,219 2,223 1,224 1,227 21,231 2,232 2,235 1,237 2,239 17,244 7,247 1,249 2,251 9,256 11,261 3,264 7,269 7,274 3,277 14,281 3810,282 27.742,283 27.742,284 27.742,285 27.742,286 27.742,287 24.266,288 19.819,289 16.908,290 28.086,291 21.737,292 21.737,293 21.737,294 21.737,295 21.737,296 16.489,297 18.228,298 8.053,299 22.243,300 4.764,301 2.838,302 1.87,303 1.127,304 0.778,305 0.694,306 4.426,313 1854,314 4.359,317 120.24,318 642.895,321 221.531,325 3.429,326 34.149,329 0.5,330 0.67,331 0.67,332 0.5,333 0.5,334 0.67,335 0.5,336 0.57,337 85,338 843,339 4.524,340 3.58,341 6.526,342 4.048,343 3.061,344 4.473,345 1.058,346 10.264,347 3.029,348 4.331,349 3.557,350 6.391,351 3.993,352 2.974,353 3.916,354 0.86,355 9.667,356 3.02,357 4.187,358 3.135,359 6.029,360 3.821,361 2.821,362 3.767,363 0.86,364 8.588,365 2.818,366 3.903,367 2.88,368 5.412,369 3.477,370 2.517,371 3.463,373 7.096,374 2.419,375 3.727,376 2.864,377 5.313,378 3.352,379 2.406,380 3.068,382 6.86,383 2.266,384 3.515,385 2.23,386 5.132,387 3.1,388 2.123,389 2.88,391 6.119,392 2.062,393 3.417,394 2.226,395 5.13,396 3.038,397 2.051,398 2.767,400 6.008,401 2.024,402 3.046,403 2.073,404 4.245,405 2.714,406 1.739,407 2.318,409 4.002,410 1.688,411 2.974,412 2.009,413 4.162,414 2.53,415 1.558,416 2.148,418 3.74,419 1.509,420 2.929,421 1.75,422 3.911,423 2.517,424 1.545,425 1.998,427 3.508,428 1.499,429 2.729,430 1.547,431 3.769,432 2.482,433 1.485,434 1.751,436 3.292,437 1.472,438 2.661,439 1.518,440 3.597,441 2.216,442 1.221,443 1.714,445 2.831,446 1.211,447 2.5,448 1.443,449 3.414,450 2.028,451 1.096,452 1.5,454 2.384,455 1.01,456 2.5,457 1.323,458 3.414,459 2,460 1,461 1.5,463 2.275,464 1,465 2.5,466 1.176,467 3.391,468 2,469 1,470 1.5,472 2.275,473 1,474 19.133,475 0.478,476 0.674,477 0.017,478 54.5,479 1.363,480 30,481 0.75,482 24.5,483 0.613,484 31.461,485 0.787,486 41.467,487 0.576,488 42.879,489 1.072,490 11.01,491 0.275,492 8.66,493 0.217,494 0.035,496 0.261,501 0.749,502 1.086,503 0.79,504 0.996,505 0.581,506 0.909,507 0.968,508 1.115,509 0.974,510 1.078,511 0.666,512 1.034,513 1.166,514 1.042,515 0.967,516 1.006,517 0.871,518 0.968,519 1.536,520 1.082,521 1.202,522 1.056,523 1.573,524 1.078,525 1.123,526 0.96,527 1.12,528 0.992,529 1.342,530 1.044,531 0.455,532 1.016,533 0.917,534 1.052,535 0.535,536 1.048,537 0.773,538 1.027,539 0.867,540 1.039,541 0.733,542 0.979,543 1.687,544 0.883,545 1.037,546 0.867,547 1.45,548 0.867,549 5.5,550 0.104,551 4.222,552 2.104,553 1.138,554 0.754,555 0.565,556 0.451,557 0.289,558 0.208,559 38153,560 94276,561 2.138,562 44.4,564 23,565 1,567 2,569 6,572 1.788,573 2.069,574 4.301,575 0.05,582 101.261,583 1.406,584 3.332,585 4.3,586 5.043,587 5.392,588 5.475,589 3.725,590 4.784,591 5.295,592 4.547,593 3546.82,594 9.271,595 73658.4,600 444.235,601 1.076,602 5.283,603 0.125,604 0.003,605 0.073,606 0.036,607 0.023,608 0.018,609 0.014,610 0.011,611 0.007,612 0.005,613 0.316,614 0.17,615 0.5,616 0.349,617 238.646,618 -0.023,619 -0.007,620 0.045,621 0.007,622 -0.033,623 0.032,624 -0.024,625 -0.074,626 -0.07,627 -0.087,628 0.003,629 -0.086,630 -0.069,631 -0.053,632 0.017,633 -0.022,634 0.04,635 0.005,636 -0.2,637 -0.083,638 -0.187,639 -0.09,640 -0.145,641 -0.129,642 -0.035,643 0.029,644 -0.112,645 -0.017,646 -0.133,647 -0.066,648 0.263,649 -0.048,650 0.061,651 -0.054,652 0.148,653 -0.029,654 0.102,655 -0.069,656 0.135,657 -0.046,658 0.079,659 0.033,660 -0.174,661 0.08,662 0.021,663 0.103,664 -0.113,665 0.091,666 1.763,667 5.524,668 0.675,669 68.075,670 0.997,671 1.112,672 4.391,673 19.283,674 0.684,675 3.807,676 4.078,677 4.331,678 4.522,679 4.682,680 4.663,681 4.736,682 4.754,683 4.727,684 4.779,685 12.248,686 0.65,687 532.68,688 3.807,689 5.323,690 6.155,691 6.999,692 7.842,693 8.691,694 9.539,695 10.39,696 11.241,697 12.095,698 2.8,705 1,706 1,714 2,715 18,717 1,720 6,722 28,727 1,729 1,739 2,741 72,743 30,744 4,745 44,747 76,748 34,749 26,750 7,751 17,752 2,756 5,757 6,770 3,772 28,773 6,777 2,782 2,786 2,793 32,794 5,795 2,796 6,802 2,808 0.8,809 4,824 1,828 1,829 4,832 1,859 4,868 40,876 6,877 1,878 2,893 5.6,896 2,898 2,901 19.333,902 12.667,903 8.972,904 4.41,907 4.921,908 1.584,909 1.002,910 9.413,911 13.351,912 4.111,913 4.68,914 5.27,915 5.802,916 6.277,917 6.403,918 6.694,919 6.874,920 6.828,921 7.049,922 0.929,923 58,924 14.816,926 6.239,927 0.026,929 7.692,931 28.463,933 23.149,936 2.192,937 87.667,941 353.133,942 226.822,943 34.796,945 72.29,948 226.822,949 425.423,950 34.796,952 36.905,953 170.144,954 60.128,955 64.587,956 13.915,957 341.362,959 353.133,960 261.618,961 72.29,964 282.506,965 142.916,968 53.69,969 207.928,972 353.133,973 107.086,974 226.822,977 353.133,978 56.678,979 170.144,980 34.796,981 72.29,982 353.133,983 107.086,984 226.822,986 0.567,987 0.331,988 0.174,989 0.09,990 25,991 10,992 0.171,993 13,994 1,995 1.074,996 5.484,997 355.87,998 0.074,999 27,1000 200.877,1005 27.388,1006 13.748,1007 7.484,1008 2.297,1009 90.3,1010 33.856,1012 3.266,1015 4.581,1017 34.796,1018 687.041,1019 60,1024 25.026,1028 -0.097,1031 71.767,1032 80.062,1034 0.228,1035 0.54,1036 0.697,1037 0.817,1038 0.874,1039 0.887,1040 5.308,1041 1.739,1042 6.094,1043 6.008,1044 4.762,1045 5.368,1046 1.824,1047 6.836,1048 4.725,1049 6.487,1050 1.558,1051 7.607,1052 4.002,1053 4.111,1054 4.987,1056 7.615,1057 4.089,1058 7.767,1059 1.545,1060 9.225,1061 3.74,1062 6.286,1063 7.546,1064 1.74,1065 10.702,1066 6.227,1067 9.088,1068 1.485,1069 10.909,1070 3.508,1071 6.538,1072 8.079,1074 12.376,1075 6.506,1076 10.445,1077 1.221,1078 12.637,1079 3.292,1080 8.095,1081 10.036,1082 1.692,1083 14.942,1084 8.035,1085 11.829,1086 1.096,1087 14.395,1088 2.831,1089 8.777,1090 11.014,1092 16.972,1093 8.743,1094 13.233,1095 1,1096 16.174,1097 2.384,1098 10.069,1099 12.706,1100 1.676,1101 19.365,1102 10.018,1103 3.061,1104 1,1105 17.97,1106 2.275,1107 10.962,1108 13.918,1110 21.547,1111 10.932,1112 2.974,1113 10.264,1114 19.778,1115 2.275,1116 12.137,1117 15.487,1118 1.688,1119 23.879,1120 12.099,1121 2.821,1122 9.667,1123 21.595,1124 4.473,1125 13.134,1126 16.824,1128 26.128,1129 13.109,1130 2.517,1131 8.588,1132 23.419,1133 3.916,1134 14.259,1135 18.338,1136 1.723,1137 28.44,1138 14.232,1139 2.406,1140 7.096,1141 25.25,1142 3.767,1143 15.306,1144 19.743,1146 30.719,1147 15.288,1148 2.123,1149 6.86,1150 27.085,1151 3.463,1152 16.412,1153 21.235,1154 1.776,1155 33.027,1156 16.393,1157 2.051,1158 6.119,1159 28.925,1160 3.068,1161 17.484,1162 22.676,1164 35.321,1165 17.471,1166 35062,1167 55288,1168 30.394,1169 49.25,1170 64.947,1171 66.835,1172 65.467,1173 64.329,1174 64.361,1175 86.855,1176 5.557,1177 173.978,1178 63.106,1179 5.455,1180 5.58,1181 6.351,1182 5.124,1183 5.061,1184 7.473,1185 2.117,1186 17.006,1187 5.029,1188 12.814,1189 1.476,1190 1.519,1191 1.488,1192 1.462,1193 1.463,1194 1.974,1195 0.126,1196 3.954,1197 1.434,1198 4.13,1199 4.165,1200 4.084,1201 4.048,1202 7.43,1203 4.052,1204 3.993,1205 4.011,1206 3.943,1207 3.925,1208 7.426,1209 3.926,1210 3.929,1211 3.948,1212 3.877,1213 3.849,1214 4.973,1215 3.852,1216 3.824,1217 3.851,1218 3.753,1219 3.756,1220 4.854,1221 3.751,1222 3.656,1223 3.712,1224 3.518,1225 3.505,1226 4.815,1227 3.495,1228 3.566,1229 3.628,1230 3.44,1231 3.426,1232 4.717,1233 3.42,1234 3.378,1235 3.433,1236 3.29,1237 3.182,1238 4.35,1239 3.204,1240 3.271,1241 3.302,1242 3.189,1243 3.081,1244 4.315,1245 3.103,1246 0.103,1247 0.081,1248 0.148,1249 0.092,1250 0.07,1251 4.524,1252 0.102,1253 3.58,1254 0.024,1255 6.526,1256 0.233,1257 4.048,1258 0.069,1259 3.061,1260 4.473,1261 1.058,1262 10.264,1263 3.029,1264 1.958,1265 1.94,1266 2.055,1267 2.042,1268 1.262,1269 2.045,1270 1.941,1271 1.918,1272 2.042,1273 2.025,1274 1.235,1275 2.031,1276 1.899,1277 1.88,1278 2.005,1279 2.003,1280 1.132,1281 2.004,1282 1.824,1283 1.798,1284 1.956,1285 1.924,1286 1.079,1287 1.936,1288 1.661,1289 1.604,1290 1.898,1291 1.85,1292 1.022,1293 1.862,1294 1.64,1295 1.583,1296 1.841,1297 1.808,1298 1.008,1299 1.829,1300 1.33,1301 1.271,1302 1.527,1303 1.597,1304 0.716,1305 1.58,1306 1.198,1307 1.165,1308 1.477,1309 1.457,1310 0.586,1311 1.459,1312 4.489,1314 5.771,1315 2.398,1316 7.246,1317 4.727,1318 8.805,1319 6.823,1320 10.406,1328 4.121,1329 2.993,1330 11.625,1340 46.804,1341 101.261,1342 239.915,1343 309.628,1344 363.115,1345 388.235,1346 394.235,1347 75.049,1348 8.429,1349 80.42,1350 80.42,1351 29,1352 12.65,1353 4.954,1354 4.087,1355 64.836,1356 302,1357 250,1358 0.099,1359 285.606,1360 498.02,1361 688.638,1362 83285,1364 27.572,1365 0.689,1366 0.557,1367 27.572,1368 22.268,1369 19.67,1370 0.447,1371 0.308,1372 13.426,1373 19.13,1374 13.171,1375 10.913,1376 19.67,1377 13.559,1378 16.764,1379 0.289,1380 0.164,1381 16.764,1382 9.513,1383 14.415,1384 0.192,1385 0.089,1386 14.415,1387 6.7,1388 11.467,1389 0.126,1390 0.049,1391 11.467,1392 4.497,1393 8.894,1394 0.083,1395 0.028,1396 8.894,1397 2.951,1398 0.169,1399 121.898,1400 0.181,1401 38.051,1402 0.238,1403 204,1404 573.608,1405 218.846,1406 554.235,1407 759.96,1408 522,1409 235,1410 552.844,1411 249.627,1412 560.445,1413 815.29,1414 531,1415 5}
{0 CHEMBL2159655,1 1.412,2 19.775,3 6.587,4 43.39,5 156.167,6 7.581,7 0.622,8 4.346,9 4.447,10 3.936,11 3.958,12 5.445,13 3.934,14 4.874,15 5.012,16 4.285,17 4.356,18 5.949,19 4.311,20 5.135,21 5.326,22 4.334,23 4.451,24 6.176,25 4.384,26 5.142,27 5.335,28 4.213,29 4.391,30 6.209,31 4.306,32 5.102,33 5.324,34 4.041,35 4.281,36 6.132,37 4.166,38 5.001,39 5.244,40 3.928,41 4.199,42 5.929,43 4.066,44 4.935,45 5.168,46 3.924,47 4.102,48 5.914,49 4.001,50 4.844,51 5.048,52 3.898,53 4.053,54 5.886,55 3.978,56 0.025,57 0.899,58 13.336,59 6.554,60 8.251,61 8.111,62 0.186,63 1.497,64 24.984,65 11.244,66 24.348,67 14.025,68 0.299,69 1.898,70 36.356,71 14.921,72 45.621,73 18.984,74 0.376,75 1.913,76 37.111,77 14.635,78 63.873,79 18.351,80 0.609,81 1.837,82 37.436,83 14.389,84 76.607,85 18.737,86 0.356,87 1.67,88 33.785,89 13.723,90 52.177,91 18.78,92 0.307,93 1.53,94 31.939,95 12.51,96 50.697,97 16.484,98 0.371,99 1.378,100 28.803,101 10.928,102 56.251,103 13.481,104 5,105 62,106 0.217,107 0.526,108 0.689,109 0.808,110 0.861,111 0.876,112 3.717,113 0.909,114 -5.62,115 -5.49,116 -5.12,121 48.6,123 3,127 3,144 15,145 7,146 2,153 1,154 1,159 1,160 1,176 22,180 9,183 1,185 5,187 25,192 12,197 6,200 21,206 8,211 4,214 17,218 2,219 5,223 1,224 1,227 17,231 1,232 3,235 1,237 2,239 12,244 8,247 1,249 2,251 9,256 9,261 3,264 10,269 5,274 3,277 15,281 3588,282 27.827,283 27.827,284 27.827,285 27.827,286 27.827,287 24.414,288 19.819,289 16.676,290 28.172,291 22.242,292 22.242,293 22.242,294 22.242,295 22.242,296 16.953,297 18.228,298 7.93,299 22.747,300 4.717,301 2.703,302 1.642,303 0.873,304 0.525,305 0.429,306 4.436,313 1783,314 4.183,317 205.41,318 521.518,321 560.495,325 3.259,326 34.787,329 0.5,330 0.5,331 0.67,332 0.5,333 0.5,334 0.67,335 0.5,336 0.55,337 85,338 791,339 4.679,340 3.692,341 7.012,342 4.343,343 3.334,344 4.473,345 1.058,346 11.953,347 3.362,348 4.524,349 3.557,350 6.526,351 4.048,352 3.061,353 4.379,354 0.86,355 10.264,356 3.02,357 4.187,358 3.135,359 6.029,360 3.821,361 2.821,362 3.767,363 0.86,364 8.588,365 2.818,366 3.914,367 2.895,368 5.776,369 3.486,370 2.526,371 3.484,373 7.792,374 2.429,375 3.727,376 2.869,377 5.587,378 3.352,379 2.406,380 3.068,382 6.86,383 2.266,384 3.491,385 2.684,386 5.313,387 3.133,388 2.104,389 2.791,391 6.841,392 2.159,393 3.417,394 2.226,395 5.215,396 3.039,397 2.056,398 2.767,400 6.324,401 2.024,402 3.408,403 2.184,404 5.13,405 3.02,406 2.049,407 2.693,409 6.008,410 1.97,411 3.046,412 2.058,413 4.245,414 2.699,415 1.725,416 2.318,418 4.002,419 1.673,420 2.931,421 1.782,422 4.162,423 2.522,424 1.55,425 1.999,427 3.74,428 1.504,429 2.834,430 1.547,431 3.888,432 2.511,433 1.542,434 1.978,436 3.478,437 1.487,438 2.733,439 1.519,440 3.785,441 2.368,442 1.37,443 1.757,445 3.1,446 1.366,447 2.661,448 1.487,449 3.656,450 2.216,451 1.223,452 1.719,454 2.832,455 1.211,456 2.584,457 1.374,458 3.597,459 2.119,460 1.143,461 1.619,463 2.752,464 1.113,465 2.5,466 1.316,467 3.456,468 2,469 1.036,470 1.5,472 2.32,473 1,474 19.133,475 0.478,476 0.76,477 0.019,478 55,479 1.375,480 30,481 0.75,482 25,483 0.625,484 32.1,485 0.803,486 40.867,487 0.584,488 42.977,489 1.074,490 10.915,491 0.273,492 8.755,493 0.219,494 0.035,496 0.314,501 0.74,502 1.045,503 0.758,504 0.954,505 0.569,506 0.869,507 0.945,508 1.052,509 0.924,510 1.013,511 0.643,512 0.973,513 1.147,514 0.998,515 0.937,516 0.963,517 0.872,518 0.928,519 1.383,520 1.114,521 1.177,522 1.096,523 1.359,524 1.104,525 1.091,526 0.989,527 1.131,528 1.028,529 1.262,530 1.074,531 0.602,532 1.027,533 0.937,534 1.061,535 0.687,536 1.049,537 1.052,538 0.994,539 0.935,540 1.003,541 1.001,542 0.964,543 1.636,544 0.905,545 1.106,546 0.901,547 1.485,548 0.927,549 5.5,550 0.123,551 4.444,552 3.09,553 1.19,554 0.994,555 0.567,556 0.421,557 0.314,558 0.211,559 38372,560 93140,561 2.182,562 42.9,564 21,565 1,567 2,569 6,572 1.788,573 2.105,574 4.2,575 0.05,582 98.869,583 1.412,584 3.426,585 4.487,586 5.256,587 5.604,588 5.701,589 3.621,590 4.884,591 5.298,592 4.466,593 3483.11,594 9.273,595 70604.5,600 429.05,601 1.141,602 5.28,603 0.122,604 0.004,605 0.072,606 0.049,607 0.022,608 0.023,609 0.015,610 0.011,611 0.008,612 0.006,613 0.331,614 0.17,615 0.5,616 0.349,617 237.016,618 -0.026,619 0.009,620 0.05,621 0.021,622 -0.032,623 0.044,624 -0.026,625 -0.025,626 -0.042,627 -0.038,628 0.006,629 -0.042,630 -0.074,631 -0.011,632 0.038,633 0.02,634 0.019,635 0.041,636 -0.166,637 -0.115,638 -0.182,639 -0.127,640 -0.114,641 -0.151,642 0.057,643 -0.002,644 -0.106,645 -0.051,646 -0.055,647 -0.093,648 0.17,649 -0.062,650 0.065,651 -0.062,652 0.082,653 -0.022,654 0.032,655 -0.034,656 0.099,657 -0.012,658 0.024,659 0.041,660 -0.207,661 0.067,662 -0.065,663 0.076,664 -0.15,665 0.034,666 1.763,667 5.683,668 0.7,669 61.27,670 0.998,671 1.109,672 4.391,673 19.283,674 0.693,675 3.829,676 4.143,677 4.454,678 4.727,679 4.934,680 4.984,681 5.106,682 5.187,683 5.124,684 5.147,685 11.72,686 0.661,687 530.66,688 3.829,689 5.371,690 6.232,691 7.109,692 7.987,693 8.872,694 9.759,695 10.65,696 11.541,697 12.436,698 2.9,705 1,706 1,714 2,715 16,717 1,720 8,722 28,727 1,729 1,739 2,741 70,743 30,744 4,745 45,747 75,748 34,749 26,750 9,751 15,752 2,756 6,757 10,770 3,772 28,773 6,777 2,782 2,786 2,793 30,794 5,795 2,796 6,802 2,808 0.5,809 4,824 1,828 2,829 4,832 3,859 3,868 40,876 6,877 1,878 2,893 5.7,896 2,898 2,901 19,902 12.5,903 8.806,904 4.375,907 5.393,908 1.598,909 1.03,910 7.761,911 14.411,912 4.127,913 4.734,914 5.372,915 5.97,916 6.496,917 6.738,918 7.116,919 7.414,920 7.471,921 7.665,922 0.923,923 63,924 14.841,926 6.411,927 0.026,929 7.675,931 28.598,933 23.949,936 2.175,937 87,941 329.591,942 214.241,943 34.796,945 72.29,948 214.241,949 401.88,950 34.796,952 36.905,953 151.191,954 60.128,955 70.959,956 13.915,957 317.82,959 329.591,960 249.037,961 72.29,964 258.964,965 142.916,968 53.69,969 195.347,972 329.591,973 107.086,974 214.241,977 329.591,978 63.05,979 151.191,980 34.796,981 72.29,982 329.591,983 107.086,984 214.241,986 0.575,987 0.344,988 0.191,989 0.102,990 30,991 12,992 0.147,993 11,994 3,995 1.214,996 5.427,997 375.978,998 0.214,999 28,1000 208.877,1005 26.062,1006 11.912,1007 5.746,1008 2.297,1009 90.3,1010 30.807,1012 3.267,1015 6.644,1017 34.796,1018 650.918,1019 61,1024 25.226,1028 -0.043,1031 69.883,1032 77.647,1034 0.23,1035 0.559,1036 0.732,1037 0.858,1038 0.914,1039 0.93,1040 5.352,1041 2.049,1042 6.196,1043 6.324,1044 4.828,1045 5.423,1046 1.824,1047 7.008,1048 4.794,1049 6.55,1050 1.725,1051 7.75,1052 6.008,1053 4.29,1054 5.156,1056 7.919,1057 4.272,1058 7.854,1059 1.55,1060 9.409,1061 4.002,1062 6.412,1063 7.645,1064 1.74,1065 11.061,1066 6.36,1067 9.199,1068 1.542,1069 11.136,1070 3.74,1071 6.781,1072 8.284,1074 12.885,1075 6.756,1076 10.583,1077 1.37,1078 12.907,1079 3.478,1080 8.312,1081 10.194,1082 1.692,1083 15.539,1084 8.265,1085 11.995,1086 1.223,1087 14.709,1088 3.1,1089 9.113,1090 11.264,1092 17.738,1093 9.092,1094 13.429,1095 1.143,1096 16.534,1097 2.832,1098 10.411,1099 12.932,1100 1.676,1101 20.247,1102 10.38,1103 3.334,1104 1.036,1105 18.378,1106 2.752,1107 11.416,1108 14.214,1110 22.601,1111 11.407,1112 3.061,1113 11.953,1114 20.235,1115 2.32,1116 12.626,1117 15.775,1118 1.688,1119 25.07,1120 12.617,1121 2.821,1122 10.264,1123 22.104,1124 4.473,1125 13.725,1126 17.161,1128 27.488,1129 13.733,1130 2.526,1131 8.588,1132 23.983,1133 4.379,1134 14.906,1135 18.676,1136 1.723,1137 29.949,1138 14.921,1139 2.406,1140 7.792,1141 25.87,1142 3.767,1143 16.048,1144 20.113,1146 32.396,1147 16.076,1148 2.104,1149 6.86,1150 27.765,1151 3.484,1152 17.224,1153 21.61,1154 1.776,1155 34.859,1156 17.261,1157 2.056,1158 6.841,1159 29.665,1160 3.068,1161 18.387,1162 23.071,1164 37.319,1165 18.436,1166 34447,1167 53852,1168 31.205,1169 48.489,1170 67.603,1171 69.598,1172 68.414,1173 67.003,1174 67.069,1175 89.923,1176 5.557,1177 190.249,1178 65.811,1179 5.612,1180 5.692,1181 6.837,1182 5.424,1183 5.334,1184 7.473,1185 2.117,1186 19.164,1187 5.362,1188 12.712,1189 1.502,1190 1.547,1191 1.52,1192 1.489,1193 1.49,1194 1.998,1195 0.123,1196 4.228,1197 1.462,1198 4.136,1199 4.168,1200 4.092,1201 4.065,1202 7.431,1203 4.068,1204 4.086,1205 4.099,1206 4.053,1207 4.029,1208 7.426,1209 4.032,1210 3.933,1211 3.953,1212 3.881,1213 3.851,1214 4.974,1215 3.854,1216 3.734,1217 3.767,1218 3.653,1219 3.641,1220 4.873,1221 3.639,1222 3.634,1223 3.683,1224 3.508,1225 3.499,1226 4.823,1227 3.488,1228 3.564,1229 3.626,1230 3.435,1231 3.426,1232 4.657,1233 3.419,1234 3.377,1235 3.433,1236 3.288,1237 3.181,1238 4.337,1239 3.204,1240 3.256,1241 3.291,1242 3.173,1243 3.078,1244 4.312,1245 3.095,1246 0.104,1247 0.082,1248 0.156,1249 0.097,1250 0.074,1251 4.679,1252 0.099,1253 3.692,1254 0.024,1255 7.012,1256 0.266,1257 4.343,1258 0.075,1259 3.334,1260 4.473,1261 1.058,1262 11.953,1263 3.362,1264 1.941,1265 1.918,1266 2.042,1267 2.026,1268 1.263,1269 2.031,1270 1.927,1271 1.909,1272 2.019,1273 2.006,1274 1.235,1275 2.008,1276 1.899,1277 1.88,1278 2.003,1279 1.99,1280 1.149,1281 1.996,1282 1.83,1283 1.815,1284 1.941,1285 1.927,1286 1.079,1287 1.931,1288 1.661,1289 1.604,1290 1.886,1291 1.851,1292 1.023,1293 1.86,1294 1.64,1295 1.583,1296 1.841,1297 1.807,1298 1.016,1299 1.827,1300 1.33,1301 1.27,1302 1.527,1303 1.597,1304 0.715,1305 1.58,1306 1.183,1307 1.149,1308 1.473,1309 1.449,1310 0.586,1311 1.453,1312 4.511,1314 5.826,1315 3.045,1316 7.338,1317 5.533,1318 8.94,1319 7.735,1320 10.594,1328 4.071,1329 2.996,1330 11.735,1340 46.277,1341 98.869,1342 239.817,1343 314.082,1344 367.93,1345 392.295,1346 399.05,1347 69.517,1348 9.018,1349 80.42,1350 80.42,1351 34,1352 12.963,1353 4.954,1354 4.087,1355 58.15,1356 291,1357 232,1358 0.093,1359 278.212,1360 485.66,1361 670.598,1362 166690,1364 27.313,1365 0.683,1366 0.553,1367 27.313,1368 22.113,1369 19.67,1370 0.437,1371 0.303,1372 13.509,1373 19.13,1374 13.262,1375 10.935,1376 19.67,1377 13.642,1378 17.204,1379 0.277,1380 0.159,1381 17.204,1382 9.876,1383 15.226,1384 0.179,1385 0.085,1386 15.226,1387 7.245,1388 12.827,1389 0.115,1390 0.046,1391 12.827,1392 5.135,1393 10.371,1394 0.075,1395 0.025,1396 10.371,1397 3.47,1398 0.158,1399 121.898,1400 0.179,1401 37.767,1402 0.225,1403 214,1404 587.608,1405 228.846,1406 568.17,1407 788.1,1408 536,1409 254,1410 582.844,1411 268.627,1412 590.894,1413 870.26,1414 561,1415 5}
{0 CHEMBL2159656,1 1.423,2 17.853,3 4.625,4 21.389,5 138.019,6 6.831,7 0.595,8 4.276,9 4.408,10 3.772,11 3.804,12 5.308,13 3.768,14 4.814,15 5.006,16 4.076,17 4.185,18 5.782,19 4.121,20 5.054,21 5.277,22 4.096,23 4.318,24 5.977,25 4.213,26 5.123,27 5.367,28 3.952,29 4.289,30 6.022,31 4.147,32 5.086,33 5.36,34 3.782,35 4.181,36 5.902,37 4.01,38 4.949,39 5.231,40 3.75,41 4.055,42 5.785,43 3.904,44 4.822,45 5.07,46 3.761,47 3.986,48 5.741,49 3.868,50 4.798,51 5.046,52 3.757,53 3.969,54 5.744,55 3.867,56 0.058,57 0.965,58 15.088,59 6.104,60 10.749,61 8.539,62 0.278,63 1.534,64 27.405,65 9.805,66 26.733,67 14.077,68 0.288,69 1.816,70 35.49,71 13.17,72 38.884,73 18.718,74 0.385,75 1.863,76 38.737,77 14.034,78 52.662,79 20.025,80 0.413,81 1.74,82 37.827,83 13.591,84 48.998,85 19.779,86 0.419,87 1.521,88 33.037,89 11.658,90 44.751,91 17.243,92 0.286,93 1.348,94 28.721,95 10.463,96 36.805,97 14.876,98 0.311,99 1.316,100 28.335,101 9.853,102 41.769,103 13.937,104 11,105 49,106 0.224,107 0.557,108 0.753,109 0.843,110 0.847,111 0.847,112 3.559,113 0.967,114 -4.1,115 -4.05,116 -3.83,121 41.8,123 3,126 2,127 3,144 10,145 3,146 2,147 2,153 1,154 1,160 1,176 11,180 6,183 1,185 5,187 11,189 3,192 5,197 6,200 7,203 1,206 4,208 1,211 4,214 8,219 1,221 1,223 1,224 1,227 10,231 1,232 2,235 1,237 2,239 8,244 4,247 1,249 2,251 6,253 2,256 4,261 3,264 6,266 2,268 1,269 3,274 3,277 11,279 1,281 2366,282 23.258,283 23.258,284 23.258,285 23.258,286 23.258,287 20.587,288 24.397,289 14.049,290 23.715,291 18.26,292 18.26,293 18.26,294 18.26,295 18.26,296 14.181,297 24.283,298 6.66,299 18.948,300 4.643,301 2.524,302 1.276,303 0.709,304 0.679,305 0.679,306 4.258,312 1,313 1314,314 4.183,317 96.529,318 388.524,321 178.357,325 3.106,326 20.348,329 1,330 0.67,331 0.83,332 0.8,333 0.5,334 0.83,335 0.5,336 0.73,337 72,338 607,339 4.524,340 3.557,341 6.526,342 4.048,343 3.061,344 4.473,345 1.058,346 10.264,347 3.02,348 4.187,349 3.135,350 6.029,351 3.821,352 2.821,353 3.767,354 0.86,355 8.588,356 2.818,357 4.107,358 2.989,359 5.929,360 3.73,361 2.784,362 3.681,363 0.8,364 8.227,365 2.634,366 3.727,367 2.871,368 5.314,369 3.355,370 2.411,371 3.068,373 6.861,374 2.267,375 3.619,376 2.55,377 5.298,378 3.286,379 2.367,380 2.891,382 6.788,383 2.174,384 3.417,385 2.226,386 5.13,387 3.038,388 2.051,389 2.767,391 6.008,392 2.024,393 3.046,394 2.056,395 4.245,396 2.642,397 1.676,398 2.318,400 4,401 1.611,402 2.928,403 1.701,404 4.162,405 2.519,406 1.546,407 1.996,409 3.738,410 1.502,411 2.681,412 1.547,413 3.831,414 2.493,415 1.521,416 1.734,418 3.363,419 1.472,420 2.653,421 1.518,422 3.663,423 2.226,424 1.27,425 1.671,427 2.918,428 1.216,429 2.5,430 1.481,431 3.595,432 2.19,433 1.204,434 1.5,436 2.822,437 1.177,438 2.5,439 1.176,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.449,448 1.05,449 3.414,450 1.984,451 1,452 1.442,454 2.275,455 0.983,456 2.271,457 1,458 3.335,459 1.924,460 0.946,461 1.186,463 2.126,464 0.918,465 1.967,466 1,467 3.125,468 1.719,469 0.777,470 0.872,472 1.731,473 0.726,474 16.267,475 0.478,476 0.661,477 0.019,478 43.25,479 1.272,480 21.5,481 0.632,482 21.75,483 0.64,484 28.092,485 0.826,486 36.833,487 0.55,488 32.431,489 0.954,490 8.729,491 0.257,492 7.868,493 0.231,494 0.082,496 0.264,501 0.867,502 1.394,503 0.878,504 1.143,505 0.64,506 1.026,507 1.149,508 1.06,509 0.997,510 0.956,511 0.658,512 0.947,513 1.146,514 1.107,515 1.043,516 1.077,517 0.906,518 1.053,519 1.225,520 1.074,521 1.155,522 1.119,523 1.365,524 1.132,525 0.959,526 0.989,527 1.046,528 1.039,529 1.221,530 1.054,531 0.702,532 0.889,533 0.879,534 0.92,535 0.608,536 0.912,537 1.115,538 1.022,539 0.94,540 1.023,541 1.143,542 0.978,543 1.515,544 0.866,545 0.963,546 0.838,547 1.641,548 0.845,549 5.5,550 0.124,551 3.778,552 1.667,553 0.947,554 0.74,555 0.405,556 0.433,557 0.276,558 0.142,559 22622,560 49313,561 2.095,562 49.3,564 22,565 1,566 2,567 2,569 6,572 1.749,573 2,574 4.068,575 0.118,582 95.357,583 1.423,584 3.542,585 4.79,586 5.357,587 5.387,588 5.387,589 3.542,590 4.278,591 5.058,592 4.315,593 2420.81,594 8.806,595 43051.3,600 406.428,601 1.223,602 5.037,603 0.149,604 0.004,605 0.077,606 0.035,607 0.024,608 0.023,609 0.013,610 0.013,611 0.008,612 0.004,613 0.35,614 0.33,615 0.88,616 0.608,617 191.801,618 -0.008,619 -0.184,620 0.06,621 -0.065,622 -0.02,623 -0.006,624 -0.058,625 0.077,626 -0.015,627 0.048,628 0.054,629 0.03,630 -0.09,631 -0.078,632 -0.062,633 -0.069,634 0.005,635 -0.062,636 -0.109,637 -0.09,638 -0.164,639 -0.132,640 -0.13,641 -0.152,642 0.015,643 -0.049,644 -0.057,645 -0.067,646 -0.107,647 -0.072,648 0.205,649 0.058,650 0.11,651 0.045,652 0.196,653 0.07,654 0.052,655 -0.066,656 0.059,657 -0.032,658 0.076,659 0.007,660 -0.136,661 0.098,662 0.058,663 0.136,664 -0.058,665 0.122,666 1.733,667 5.476,668 0.618,669 51.093,670 0.991,671 1.126,672 2.874,673 8.262,674 0.656,675 3.638,676 3.912,677 4.143,678 4.317,679 4.466,680 4.466,681 4.489,682 4.477,683 4.443,684 4.511,685 10.443,686 0.614,687 457.65,688 3.638,689 5.153,690 5.979,691 6.821,692 7.66,693 8.506,694 9.349,695 10.198,696 11.043,697 11.894,698 6,704 1,705 1,706 1,708 1,714 2,715 13,717 1,720 4,721 1,722 22,729 1,736 1,739 1,741 67,743 23,744 2,745 37,747 70,748 28,749 19,750 4,751 8,752 1,756 4,757 5,770 3,772 20,773 8,777 1,782 1,786 1,793 33,794 4,795 2,796 6,802 4,803 1,808 0.75,809 2,822 1,824 1,828 1,829 3,832 1,859 3,864 2,868 34,876 6,877 1,878 1,881 1,893 3,896 1,898 1,901 17,902 12.367,903 7.611,904 4.082,907 3.921,908 1.498,909 0.988,910 8.475,911 11.789,912 3.912,913 4.48,914 5.054,915 5.583,916 6.043,917 6.173,918 6.393,919 6.529,920 6.321,921 6.541,922 0.917,923 48,924 12.573,926 5.167,927 0.026,929 7.564,931 24.519,933 19.74,936 2.064,937 70.167,941 364.904,942 178.898,943 39.82,945 36.145,948 178.898,949 401.049,950 39.82,951 16.793,952 34.418,953 103.81,954 55.291,955 65.949,956 13.915,957 329.591,959 364.904,960 218.718,961 36.145,964 294.278,965 106.771,968 69.299,969 147.52,970 1.899,972 364.904,973 75.965,974 178.898,977 364.904,978 40.2,979 143.721,980 34.796,981 36.145,982 364.904,983 75.965,984 178.898,986 0.571,987 0.329,988 0.167,989 0.086,990 21,991 9,992 0.157,993 11,994 1,995 1.095,996 4.869,997 283.541,998 0.095,999 21,1000 160.974,1005 24.148,1006 11.933,1007 6.771,1008 2.33,1009 57.28,1010 26.056,1012 3.273,1015 3.844,1016 2.193,1017 34.796,1018 619.767,1019 49,1024 12.476,1028 -0.066,1031 66.374,1032 75.432,1034 0.235,1035 0.584,1036 0.79,1037 0.883,1038 0.888,1039 0.888,1040 5.115,1041 1.546,1042 5.927,1043 4,1044 4.595,1045 5.168,1046 1.737,1047 6.666,1048 4.528,1049 6.294,1050 1.521,1051 7.442,1052 3.738,1053 4.007,1054 4.844,1055 0.325,1056 7.448,1057 3.909,1058 7.575,1059 1.27,1060 9.059,1061 3.363,1062 6.12,1063 7.348,1064 1.622,1065 10.499,1066 5.996,1067 8.897,1068 1.204,1069 10.739,1070 2.918,1071 6.399,1072 7.922,1073 0.268,1074 12.158,1075 6.254,1076 10.254,1077 1,1078 12.459,1079 2.822,1080 7.924,1081 9.851,1082 1.587,1083 14.694,1084 7.759,1085 11.636,1086 1,1087 14.207,1088 2.275,1089 8.611,1090 10.862,1091 0.188,1092 16.714,1093 8.434,1094 13.038,1095 0.946,1096 15.976,1097 2.275,1098 9.884,1099 12.541,1100 1.592,1101 19.084,1102 9.69,1103 3.061,1104 0.777,1105 17.76,1106 2.126,1107 10.772,1108 13.779,1109 0.125,1110 21.261,1111 10.571,1112 2.821,1113 10.264,1114 19.555,1115 1.731,1116 11.934,1117 15.345,1118 1.624,1119 23.58,1120 11.72,1121 2.784,1122 8.588,1123 21.36,1124 4.473,1125 12.922,1126 16.703,1127 0.082,1128 25.829,1129 12.702,1130 2.411,1131 8.227,1132 23.172,1133 3.767,1134 14.038,1135 18.219,1136 1.676,1137 28.137,1138 13.806,1139 2.367,1140 6.861,1141 24.991,1142 3.681,1143 15.076,1144 19.64,1145 0.054,1146 30.421,1147 14.837,1148 2.051,1149 6.788,1150 26.816,1151 3.068,1152 16.174,1153 21.136,1154 1.742,1155 32.73,1156 15.925,1157 1.676,1158 6.008,1159 28.645,1160 2.891,1161 17.238,1162 22.59,1163 0.035,1164 35.032,1165 16.982,1166 21244,1167 31554,1168 25.137,1169 43.972,1170 54.587,1171 55.205,1172 55.291,1173 54.119,1174 54.116,1175 71.392,1176 5.437,1177 146.804,1178 52.278,1179 5.443,1180 5.557,1181 6.296,1182 5.107,1183 5.061,1184 7.473,1185 2.117,1186 16.913,1187 5.02,1188 14.53,1189 1.475,1190 1.492,1191 1.494,1192 1.463,1193 1.463,1194 1.93,1195 0.147,1196 3.968,1197 1.413,1198 4.129,1199 4.165,1200 4.083,1201 4.046,1202 7.429,1203 4.051,1204 3.985,1205 4.036,1206 3.918,1207 3.863,1208 4.972,1209 3.869,1210 3.923,1211 3.947,1212 3.871,1213 3.82,1214 4.839,1215 3.829,1216 3.642,1217 3.707,1218 3.509,1219 3.487,1220 4.786,1221 3.478,1222 3.566,1223 3.631,1224 3.439,1225 3.425,1226 4.332,1227 3.418,1228 3.446,1229 3.534,1230 3.308,1231 3.203,1232 4.308,1233 3.22,1234 3.368,1235 3.429,1236 3.249,1237 3.17,1238 4.226,1239 3.181,1240 3.173,1241 3.228,1242 3.038,1243 2.971,1244 4.087,1245 2.98,1246 0.122,1247 0.096,1248 0.176,1249 0.109,1250 0.083,1251 4.524,1252 0.121,1253 3.557,1254 0.029,1255 6.526,1256 0.277,1257 4.048,1258 0.082,1259 3.061,1260 4.473,1261 1.058,1262 10.264,1263 3.02,1264 1.941,1265 1.918,1266 2.056,1267 2.089,1268 1.308,1269 2.082,1270 1.919,1271 1.883,1272 2.041,1273 2.025,1274 1.235,1275 2.03,1276 1.896,1277 1.864,1278 1.997,1279 2.001,1280 1.092,1281 2,1282 1.654,1283 1.598,1284 1.881,1285 1.85,1286 1.061,1287 1.859,1288 1.63,1289 1.569,1290 1.84,1291 1.811,1292 1.021,1293 1.828,1294 1.405,1295 1.315,1296 1.707,1297 1.678,1298 0.816,1299 1.692,1300 1.326,1301 1.259,1302 1.526,1303 1.589,1304 0.651,1305 1.577,1306 1.137,1307 1.078,1308 1.444,1309 1.38,1310 0.586,1311 1.399,1312 4.317,1314 5.602,1315 2.398,1316 7.072,1317 4.727,1318 8.625,1319 6.823,1320 10.22,1322 4.088,1328 5.02,1329 3.008,1330 5.849,1333 2.096,1340 41.154,1341 95.357,1342 237.289,1343 320.944,1344 358.918,1345 360.918,1346 360.918,1347 55.9,1348 7.868,1349 61.24,1350 61.24,1351 23,1352 12.452,1353 4.585,1354 3.7,1355 57.674,1356 218,1357 192,1358 0.124,1359 254.214,1360 433.78,1361 612.043,1362 38257,1364 23.753,1365 0.699,1366 0.589,1367 23.753,1368 20.012,1369 16.597,1370 0.449,1371 0.322,1372 11.769,1373 16.035,1374 11.454,1375 9.575,1376 16.597,1377 11.923,1378 14.398,1379 0.294,1380 0.179,1381 14.398,1382 8.756,1383 11.971,1384 0.193,1385 0.098,1386 11.971,1387 6.053,1388 9.386,1389 0.127,1390 0.055,1391 9.386,1392 4.036,1393 7.155,1394 0.083,1395 0.031,1396 7.155,1397 2.643,1398 0.21,1399 103.334,1400 0.199,1401 33.167,1402 0.304,1403 172,1404 434.115,1405 185.029,1406 424.283,1407 586.81,1408 400,1409 197,1410 434.119,1411 210.642,1412 443.428,1413 639.51,1414 417,1415 6.704}
{0 CHEMBL2159657,1 1.389,2 17.257,3 5.8,4 33.634,5 139.668,6 7.148,7 0.692,8 4.258,9 4.377,10 3.8,11 3.847,12 5.309,13 3.812,14 4.784,15 4.948,16 4.121,17 4.237,18 5.789,19 4.173,20 5.059,21 5.279,22 4.152,23 4.35,24 5.985,25 4.253,26 5.075,27 5.3,28 4.015,29 4.306,30 6.005,31 4.185,32 5.059,33 5.313,34 3.842,35 4.233,36 5.907,37 4.075,38 4.974,39 5.241,40 3.78,41 4.134,42 5.817,43 3.97,44 4.874,45 5.133,46 3.786,47 4.024,48 5.776,49 3.898,50 4.755,51 4.986,52 3.785,53 3.947,54 5.752,55 3.861,56 0.053,57 0.892,58 13.643,59 6.023,60 9.595,61 8.019,62 0.208,63 1.468,64 24.754,65 10.101,66 24.126,67 13.645,68 0.277,69 1.841,70 34.953,71 13.572,72 38.601,73 18.628,74 0.343,75 1.855,76 36.008,77 13.539,78 48.914,79 18.505,80 0.391,81 1.794,82 36.254,83 13.928,84 46.972,85 19.425,86 0.351,87 1.613,88 33.442,89 13.384,90 44.545,91 18.996,92 0.275,93 1.445,94 30.442,95 11.748,96 39.476,97 16.3,98 0.289,99 1.286,100 26.87,101 9.815,102 43.686,103 13.087,104 2,105 52,106 0.218,107 0.528,108 0.717,109 0.85,110 0.886,111 0.895,112 3.587,113 0.947,114 -5.25,115 -5.14,116 -4.8,121 46.2,123 3,127 3,144 14,145 4,146 1,147 1,148 1,153 1,154 1,160 1,176 17,180 4,183 1,185 5,187 16,189 4,192 5,197 6,200 12,203 4,206 4,211 4,214 12,216 1,219 1,221 1,223 1,224 1,227 15,231 1,232 1,235 1,237 2,239 12,244 4,247 1,249 2,251 7,253 2,256 7,261 3,264 6,266 2,269 4,274 3,277 13,279 1,281 2472,282 24.466,283 24.466,284 24.466,285 24.466,286 24.466,287 21.207,288 17.88,289 14.866,290 24.803,291 19.291,292 19.291,293 19.291,294 19.291,295 19.291,296 14.403,297 14.498,298 7.048,299 19.815,300 4.633,301 2.651,302 1.447,303 0.596,304 0.369,305 0.308,306 4.302,312 1,313 1346,314 3.873,317 95.008,318 464.772,321 175.884,322 189.708,325 3.035,326 21.076,329 1,330 0.67,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.83,337 73.5,338 604,339 4.524,340 3.557,341 6.526,342 4.048,343 3.061,344 4.473,345 1.058,346 10.264,347 3.02,348 4.493,349 3.135,350 6.505,351 3.994,352 3.03,353 4.43,354 0.86,355 10.194,356 2.924,357 4.187,358 3.069,359 6.029,360 3.821,361 2.821,362 3.767,364 8.588,365 2.818,366 3.727,367 2.87,368 5.313,369 3.353,370 2.407,371 3.069,373 6.86,374 2.266,375 3.514,376 2.229,377 5.203,378 3.098,379 2.14,380 2.908,382 6.251,383 2.044,384 3.417,385 2.223,386 5.13,387 3.038,388 2.051,389 2.767,391 6.008,392 2.024,393 3.118,394 2.051,395 4.245,396 2.634,397 1.666,398 2.427,400 4.001,401 1.612,402 3.046,403 1.678,404 4.179,405 2.614,406 1.618,407 2.318,409 3.832,410 1.604,411 2.928,412 1.618,413 4.161,414 2.519,415 1.546,416 1.997,418 3.736,419 1.502,420 2.776,421 1.547,422 3.724,423 2.489,424 1.515,425 1.907,427 3.319,428 1.47,429 2.682,430 1.518,431 3.597,432 2.263,433 1.273,434 1.735,436 2.84,437 1.259,438 2.653,439 1.29,440 3.584,441 2.211,442 1.212,443 1.68,445 2.816,446 1.207,447 2.5,448 1.18,449 3.414,450 2,451 1.03,452 1.5,454 2.303,455 1,456 2.363,457 1.174,458 3.369,459 1.997,460 1,461 1.318,463 2.275,464 0.991,465 2.269,466 1,467 3.314,468 1.906,469 0.916,470 1.181,472 2.083,473 0.901,474 16.867,475 0.482,476 0.568,477 0.016,478 47,479 1.343,480 25,481 0.714,482 22,483 0.629,484 27.699,485 0.791,486 36.233,487 0.557,488 34.548,489 0.987,490 9.378,491 0.268,492 7.898,493 0.226,494 0.02,496 0.261,501 0.828,502 1.179,503 0.825,504 1.006,505 0.614,506 0.924,507 1.013,508 1.144,509 0.997,510 1.053,511 0.665,512 1.024,513 1.149,514 1.049,515 0.977,516 0.986,517 0.866,518 0.966,519 1.399,520 1.1,521 1.202,522 1.093,523 1.394,524 1.12,525 1.036,526 0.976,527 1.135,528 1.058,529 1.248,530 1.1,531 0.521,532 1,533 0.91,534 1.054,535 0.603,536 1.029,537 1.013,538 0.969,539 0.865,540 0.97,541 1.055,542 0.918,543 1.753,544 0.89,545 0.975,546 0.857,547 1.725,548 0.845,549 4.5,550 0.104,551 3.778,552 1.854,553 1,554 0.594,555 0.384,556 0.383,557 0.26,558 0.176,559 25248,560 55617,561 2.176,562 46.2,564 20,565 1,566 1,567 2,569 6,572 1.756,573 2.121,574 4.004,575 0.077,582 90.286,583 1.389,584 3.371,585 4.575,586 5.426,587 5.653,588 5.715,589 3.454,590 4.844,591 5.104,592 4.266,593 2538.04,594 8.896,595 45554.9,600 391.454,601 0.997,602 5.096,603 0.115,604 0.003,605 0.073,606 0.036,607 0.023,608 0.017,609 0.012,610 0.011,611 0.007,612 0.005,613 0.302,614 0.33,615 0.75,616 0.293,617 198.144,618 -0.015,619 -0.064,620 0.057,621 -0.003,622 -0.016,623 0.029,624 -0.007,625 -0.064,626 -0.066,627 -0.071,628 0.03,629 -0.074,630 -0.067,631 -0.041,632 0.006,633 -0.007,634 0.024,635 0.005,636 -0.179,637 -0.091,638 -0.205,639 -0.127,640 -0.143,641 -0.162,642 -0.026,643 -0.005,644 -0.136,645 -0.081,646 -0.135,647 -0.115,648 0.267,649 -0.071,650 0.08,651 -0.055,652 0.175,653 -0.013,654 0.118,655 -0.037,656 0.154,657 0.018,658 0.103,659 0.078,660 -0.134,661 0.075,662 0.068,663 0.111,664 -0.06,665 0.112,666 1.733,667 5.513,668 0.714,669 49.389,670 0.991,671 1.116,672 4.017,673 16.139,674 0.68,675 3.689,676 3.97,677 4.248,678 4.477,679 4.644,680 4.615,681 4.673,682 4.71,683 4.7,684 4.691,685 10.279,686 0.64,687 464.63,688 3.689,689 5.209,690 6.052,691 6.907,692 7.761,693 8.62,694 9.478,695 10.34,696 11.199,697 12.062,698 4.6,705 1,706 1,708 1,714 4,715 16,717 1,720 3,721 1,722 27,729 1,739 1,741 65,743 28,744 3,745 39,747 69,748 30,749 23,750 6,751 12,752 1,756 5,757 7,770 3,772 24,773 6,777 1,782 1,786 1,793 30,794 3,795 2,796 5,802 3,803 1,808 0.6,809 2,822 1,824 1,828 1,829 4,832 1,833 1,859 3,868 35,876 6,877 1,878 1,893 3.1,896 1,898 1,901 16.5,902 11.417,903 7.806,904 4.09,907 5.164,908 1.623,909 1.025,910 7.521,911 13.447,912 3.998,913 4.608,914 5.241,915 5.829,916 6.331,917 6.508,918 6.811,919 7.058,920 7.104,921 6.932,922 1,923 52,924 12.949,926 5.448,927 0.026,929 7.552,931 25.294,933 20.888,936 2.052,937 71.833,941 329.591,942 192.923,943 36.695,945 36.145,948 192.923,949 365.736,950 36.695,952 34.418,953 141.715,954 43.52,955 55.737,956 13.915,957 306.049,959 329.591,960 229.618,961 36.145,964 258.964,965 106.771,968 62.395,969 165.324,970 1.899,972 329.591,973 72.84,974 192.923,977 329.591,978 42.161,979 152.661,980 34.796,981 36.145,982 329.591,983 72.84,984 192.923,986 0.568,987 0.337,988 0.185,989 0.096,990 24,991 9,992 0.145,993 10,994 2,995 1.16,996 4.991,997 307.059,998 0.16,999 25,1000 173.525,1005 23.283,1006 11.306,1007 5.788,1008 4.843,1009 54.156,1010 32.431,1012 3.276,1015 2.644,1016 2.293,1017 34.796,1018 595.354,1019 53.5,1024 12.513,1028 -0.066,1031 64.389,1032 72.519,1034 0.231,1035 0.56,1036 0.76,1037 0.901,1038 0.939,1039 0.949,1040 5.197,1041 1.618,1042 5.994,1043 4.001,1044 4.654,1045 5.296,1046 1.552,1047 6.758,1048 4.605,1049 6.387,1050 1.546,1051 7.517,1052 3.832,1053 4.007,1054 4.997,1056 7.582,1057 3.941,1058 7.68,1059 1.515,1060 9.146,1061 3.736,1062 6.192,1063 7.548,1064 1.527,1065 10.687,1066 6.097,1067 9.016,1068 1.273,1069 10.843,1070 3.319,1071 6.463,1072 8.188,1074 12.418,1075 6.353,1076 10.39,1077 1.212,1078 12.584,1079 2.84,1080 8.027,1081 10.134,1082 1.53,1083 15,1084 7.894,1085 11.792,1086 1.03,1087 14.357,1088 2.816,1089 8.737,1090 11.219,1092 17.081,1093 8.589,1094 13.216,1095 1,1096 16.152,1097 2.303,1098 10.035,1099 12.907,1100 1.557,1101 19.491,1102 9.867,1103 3.061,1104 0.916,1105 17.963,1106 2.275,1107 10.956,1108 14.207,1110 21.711,1111 10.771,1112 3.03,1113 10.264,1114 19.785,1115 2.083,1116 12.139,1117 15.782,1118 1.603,1119 24.062,1120 11.936,1121 2.821,1122 10.194,1123 21.617,1124 4.473,1125 13.158,1126 17.182,1128 26.339,1129 12.937,1130 2.407,1131 8.588,1132 23.455,1133 4.43,1134 14.293,1135 18.708,1136 1.663,1137 28.67,1138 14.053,1139 2.14,1140 6.86,1141 25.299,1142 3.767,1143 15.358,1144 20.156,1146 30.971,1147 15.098,1148 2.051,1149 6.251,1150 27.147,1151 3.069,1152 16.473,1153 21.661,1154 1.734,1155 33.295,1156 16.195,1157 1.666,1158 6.008,1159 28.999,1160 2.908,1161 17.559,1162 23.131,1164 35.608,1165 17.261,1166 22957,1167 34232,1168 27.216,1169 44.205,1170 57.457,1171 58.462,1172 58.079,1173 57.118,1174 57.153,1175 78.217,1176 3.837,1177 156.561,1178 55.742,1179 5.444,1180 5.557,1181 6.295,1182 5.108,1183 5.061,1184 7.473,1185 2.117,1186 17.039,1187 5.02,1188 7.99,1189 1.473,1190 1.499,1191 1.489,1192 1.465,1193 1.465,1194 2.006,1195 0.098,1196 4.014,1197 1.429,1198 4.14,1199 4.175,1200 4.091,1201 4.055,1202 7.429,1203 4.059,1204 4.099,1205 4.135,1206 4.053,1207 4.015,1208 4.976,1209 4.02,1210 3.932,1211 3.952,1212 3.88,1213 3.85,1214 4.922,1215 3.853,1216 3.663,1217 3.722,1218 3.528,1219 3.524,1220 4.829,1221 3.514,1222 3.569,1223 3.631,1224 3.452,1225 3.427,1226 4.369,1227 3.422,1228 3.461,1229 3.513,1230 3.345,1231 3.348,1232 4.326,1233 3.339,1234 3.371,1235 3.43,1236 3.274,1237 3.18,1238 4.303,1239 3.201,1240 3.218,1241 3.278,1242 3.083,1243 3.033,1244 4.09,1245 3.036,1246 0.116,1247 0.091,1248 0.167,1249 0.104,1250 0.078,1251 4.524,1252 0.115,1253 3.557,1254 0.027,1255 6.526,1256 0.263,1257 4.048,1258 0.077,1259 3.061,1260 4.473,1261 1.058,1262 10.264,1263 3.02,1264 2.07,1265 2.04,1266 2.161,1267 2.179,1268 1.353,1269 2.176,1270 1.941,1271 1.918,1272 2.042,1273 2.025,1274 1.235,1275 2.031,1276 1.899,1277 1.88,1278 2.003,1279 2.003,1280 1.195,1281 2.003,1282 1.67,1283 1.611,1284 1.908,1285 1.855,1286 1.079,1287 1.87,1288 1.645,1289 1.588,1290 1.841,1291 1.813,1292 1.022,1293 1.832,1294 1.463,1295 1.415,1296 1.661,1297 1.624,1298 0.784,1299 1.635,1300 1.328,1301 1.267,1302 1.526,1303 1.583,1304 0.634,1305 1.576,1306 1.192,1307 1.128,1308 1.473,1309 1.414,1310 0.586,1311 1.435,1312 4.369,1314 5.659,1315 2.398,1316 7.149,1317 4.727,1318 8.731,1319 6.823,1320 10.361,1328 4.993,1329 3.014,1330 5.893,1340 41.606,1341 90.286,1342 219.131,1343 297.396,1344 352.699,1345 367.454,1346 371.454,1347 51.695,1348 8.284,1349 58,1350 58,1351 29,1352 12.611,1353 4.858,1354 3.954,1355 52.889,1356 222,1357 172,1358 0.111,1359 253.357,1360 428.84,1361 609.95,1362 66510,1364 23.874,1365 0.682,1366 0.566,1367 23.874,1368 19.797,1369 17.276,1370 0.443,1371 0.316,1372 12.189,1373 16.836,1374 11.967,1375 9.922,1376 17.276,1377 12.305,1378 14.772,1379 0.284,1380 0.17,1381 14.772,1382 8.834,1383 12.823,1384 0.186,1385 0.094,1386 12.823,1387 6.46,1388 10.646,1389 0.122,1390 0.053,1391 10.646,1392 4.572,1393 8.405,1394 0.082,1395 0.03,1396 8.405,1397 3.098,1398 0.187,1399 106.625,1400 0.192,1401 33.774,1402 0.274,1403 182,1404 446.47,1405 193.613,1406 439.749,1407 615.8,1408 416,1409 212,1410 461.288,1411 223.977,1412 469.513,1413 684.5,1414 446,1415 6.908}
{0 CHEMBL2159658,1 1.411,2 15.303,3 4.918,4 24.185,5 129.395,6 7.326,7 0.639,8 4.17,9 4.28,10 3.724,11 3.763,12 5.277,13 3.73,14 4.682,15 4.838,16 4.046,17 4.127,18 5.76,19 4.073,20 4.955,21 5.155,22 4.116,23 4.248,24 6.003,25 4.175,26 4.976,27 5.183,28 4.032,29 4.222,30 6.046,31 4.129,32 4.996,33 5.229,34 3.9,35 4.192,36 6.005,37 4.069,38 4.918,39 5.162,40 3.827,41 4.108,42 5.985,43 3.968,44 4.802,45 5.037,46 3.724,47 4,48 5.759,49 3.875,50 4.721,51 4.957,52 3.647,53 3.875,54 5.714,55 3.764,56 0.025,57 0.787,58 11.944,59 5.625,60 7.189,61 7.239,62 0.163,63 1.283,64 21.791,65 9.249,66 21.423,67 12.123,68 0.283,69 1.631,70 31.093,71 11.979,72 45.532,73 15.778,74 0.346,75 1.663,76 32.042,77 12.123,78 52.26,79 16.09,80 0.387,81 1.649,82 33.821,83 12.934,84 58.625,85 17.36,86 0.459,87 1.483,88 31.524,89 12.817,90 81.292,91 17.601,92 0.217,93 1.329,94 27.754,95 11.191,96 45.342,97 15.034,98 0.243,99 1.232,100 25.922,101 9.792,102 45.866,103 13.07,104 11,105 48,106 0.226,107 0.529,108 0.713,109 0.855,110 0.889,111 0.889,112 3.531,113 0.935,114 -5.4,115 -5.28,116 -4.93,121 46.7,122 1,123 2,127 2,144 14,145 3,146 2,147 1,148 1,159 1,160 1,176 15,180 6,183 1,185 3,187 15,189 4,192 6,197 4,200 10,203 4,206 7,209 1,211 4,214 12,216 1,219 3,221 1,227 18,231 2,232 3,235 1,239 17,244 5,251 10,253 2,256 8,261 1,264 4,266 2,269 4,274 1,277 6,279 1,281 2026,282 22.604,283 22.604,284 22.604,285 22.604,286 22.604,287 19.606,288 20.083,289 13.7,290 22.832,291 17.787,292 17.787,293 17.787,294 17.787,295 17.787,296 13.307,297 21.748,298 6.481,299 18.155,300 4.496,301 2.599,302 1.447,303 0.558,304 0.346,305 0.346,306 4.231,311 1,312 1,313 1093,314 3.937,318 453.863,322 176.164,325 2.518,326 27.888,329 0.75,330 1,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.84,337 70,338 505,339 4.493,340 3.619,341 6.505,342 3.997,343 3.03,344 4.43,345 1.277,346 10.194,347 2.991,348 4.347,349 3.525,350 6.425,351 3.994,352 3,353 3.949,354 1.058,355 9.841,356 2.924,357 4.158,358 3.069,359 6.019,360 3.779,361 2.775,362 3.749,363 0.86,364 8.544,365 2.785,366 3.723,367 2.872,368 5.317,369 3.349,370 2.398,371 3.064,373 6.868,374 2.267,375 3.514,376 2.607,377 5.203,378 3.098,379 2.14,380 2.908,382 6.251,383 2.044,384 3.355,385 2.225,386 4.917,387 2.967,388 1.952,389 2.586,391 5.347,392 1.971,393 3.118,394 2.047,395 4.179,396 2.617,397 1.64,398 2.427,400 3.836,401 1.612,402 2.972,403 1.677,404 4.1,405 2.614,406 1.618,407 2.137,409 3.616,410 1.594,411 2.782,412 1.618,413 3.729,414 2.499,415 1.511,416 1.908,418 3.311,419 1.489,420 2.754,421 1.538,422 3.673,423 2.265,424 1.275,425 1.786,427 2.906,428 1.261,429 2.648,430 1.312,431 3.584,432 2.216,433 1.208,434 1.648,436 2.815,437 1.208,438 2.532,439 1.29,440 3.466,441 2.028,442 1,443 1.5,445 2.304,446 1.024,447 2.5,448 1.178,449 3.414,450 2,451 1,452 1.475,454 2.275,455 1,456 2.359,457 1,458 3.35,459 1.977,460 1,461 1.309,463 2.265,464 0.972,465 1.895,466 0.835,467 3.063,468 1.634,469 0.683,470 0.81,472 1.527,473 0.645,474 15.8,475 0.479,476 0.644,477 0.02,478 45.25,479 1.371,480 25,481 0.758,482 20.25,483 0.614,484 25.169,485 0.763,486 34.3,487 0.572,488 34.736,489 1.053,490 9.11,491 0.276,492 7.004,493 0.212,494 0.074,496 0.278,501 0.7,502 1.171,503 0.793,504 1.026,505 0.558,506 0.935,507 0.869,508 1.155,509 0.922,510 1.055,511 0.593,512 1.002,513 1.23,514 1.074,515 0.994,516 0.971,517 0.994,518 0.952,519 1.214,520 1.101,521 1.13,522 1.075,523 1.041,524 1.082,525 1.136,526 0.93,527 1.111,528 1.002,529 1.237,530 1.041,531 0.574,532 0.944,533 0.9,534 1.022,535 0.719,536 1.013,537 0.989,538 1.033,539 0.986,540 1.058,541 0.934,542 1.035,543 1.238,544 1.014,545 1.031,546 1.021,547 1.037,548 1.002,549 5,550 0.099,551 3.556,552 1.813,553 1.4,554 0.944,555 0.384,556 0.319,557 0.274,558 0.187,559 19230,560 47139,561 2.097,562 45,564 18,566 1,567 1,568 3,569 4,572 1.743,573 2,574 3.839,575 -0.442,582 84.671,583 1.411,584 3.308,585 4.46,586 5.348,587 5.561,588 5.561,589 3.222,590 4.453,591 5.021,592 4.107,593 2168.33,594 8.735,595 36232.2,597 1,600 354.413,601 1.241,602 4.992,603 0.139,604 0.004,605 0.074,606 0.036,607 0.032,608 0.025,609 0.011,610 0.01,611 0.009,612 0.007,613 0.347,614 0.33,615 1,616 0.62,617 181.84,618 -0.01,619 -0.078,620 0.047,621 -0.02,622 -0.036,623 0.014,624 0.02,625 -0.092,626 -0.014,627 -0.071,628 0.04,629 -0.053,630 -0.109,631 -0.05,632 -0.015,633 -0.003,634 -0.032,635 0.002,636 -0.085,637 -0.072,638 -0.145,639 -0.117,640 -0.015,641 -0.133,642 -0.077,643 0.053,644 -0.11,645 -0.028,646 -0.093,647 -0.063,648 0.3,649 -0.021,650 0.093,651 -0.016,652 0.251,653 0.006,654 -0.025,655 -0.099,656 0.008,657 -0.059,658 -0.034,659 -0.029,660 -0.074,661 -0.052,662 -0.01,663 -0.047,664 -0.051,665 -0.023,666 1.928,667 5.562,668 0.667,669 41.109,670 0.996,671 1.114,672 4.165,673 17.348,674 0.682,675 3.611,676 3.892,677 4.143,678 4.357,679 4.543,680 4.5,681 4.522,682 4.533,683 4.605,684 4.595,685 9.335,686 0.646,687 439.57,688 3.611,689 5.13,690 5.964,691 6.817,692 7.664,693 8.521,694 9.373,695 10.231,696 11.084,697 11.944,698 3.3,705 1,708 1,714 2,715 15,720 4,721 1,722 23,727 1,729 1,739 1,741 60,743 25,744 3,745 36,747 63,748 28,749 21,750 6,751 12,752 2,756 4,757 5,763 1,770 2,772 23,773 5,777 2,782 2,786 2,793 27,794 4,795 1,796 5,802 2,803 1,808 0.75,809 3,822 1,829 4,833 1,859 3,864 1,868 33,876 4,877 1,878 1,893 5,896 2,898 1,901 16.5,902 11,903 7.389,904 3.715,907 4.472,908 1.568,909 0.993,910 7.487,911 12.34,912 3.922,913 4.505,914 5.091,915 5.647,916 6.173,917 6.298,918 6.565,919 6.777,920 7.079,921 6.974,922 0.9,923 50,924 12.213,926 5.118,927 0.026,929 7.722,931 23.406,933 18.918,936 2.222,937 73.333,940 1,941 306.049,942 191.234,943 19.91,945 61.29,948 191.234,949 367.338,950 19.91,951 8.825,952 29.778,953 132.667,954 73.798,955 39.136,957 294.278,959 306.049,960 211.144,961 61.29,964 258.964,965 108.374,968 49.795,969 159.45,970 1.899,972 306.049,973 81.2,974 191.234,977 306.049,978 40.694,979 152.439,980 18.011,981 61.29,982 306.049,983 81.2,984 191.234,986 0.57,987 0.334,988 0.181,989 0.096,990 21,991 9,992 0.143,993 9,994 1,995 1.091,996 4.629,997 282.483,998 0.091,999 22,1000 160.465,1005 22.692,1006 10.888,1007 5.851,1008 2.478,1009 79.3,1010 28.749,1015 2.244,1016 2.271,1017 18.011,1018 578.482,1019 49.5,1024 24.307,1028 -0.351,1031 59.731,1032 66.815,1034 0.239,1035 0.56,1036 0.755,1037 0.905,1038 0.941,1039 0.941,1040 5.122,1041 1.618,1042 5.916,1043 3.836,1044 4.575,1045 5.193,1046 2.077,1047 6.681,1048 4.538,1049 6.315,1050 1.511,1051 7.445,1052 3.616,1053 4.007,1054 4.89,1056 7.519,1057 3.964,1058 7.605,1059 1.275,1060 9.079,1061 3.311,1062 6.116,1063 7.392,1064 2.296,1065 10.608,1066 6.041,1067 8.935,1068 1.208,1069 10.779,1070 2.906,1071 6.415,1072 7.963,1074 12.318,1075 6.334,1076 10.299,1077 1,1078 12.522,1079 2.815,1080 7.947,1081 9.903,1082 2.589,1083 14.897,1084 7.841,1085 11.688,1086 1,1087 14.294,1088 2.304,1089 8.66,1090 10.903,1092 16.948,1093 8.547,1094 13.098,1095 1,1096 16.087,1097 2.275,1098 9.942,1099 12.59,1100 2.941,1101 19.351,1102 9.809,1103 3.03,1104 0.683,1105 17.894,1106 2.265,1107 10.856,1108 13.813,1110 21.544,1111 10.713,1112 3,1113 10.194,1114 19.712,1115 1.527,1116 12.028,1117 15.379,1118 3.337,1119 23.883,1120 11.868,1121 2.775,1122 9.841,1123 21.539,1124 4.43,1125 13.036,1126 16.719,1128 26.136,1129 12.863,1130 2.398,1131 8.544,1132 23.372,1133 3.949,1134 14.161,1135 18.23,1136 3.763,1137 28.452,1138 13.972,1139 2.14,1140 6.868,1141 25.21,1142 3.749,1143 15.215,1144 19.631,1146 30.732,1147 15.011,1148 1.952,1149 6.251,1150 27.052,1151 3.064,1152 16.321,1153 21.117,1154 4.21,1155 33.04,1156 16.101,1157 1.64,1158 5.347,1159 28.897,1160 2.908,1161 17.396,1162 22.552,1164 35.334,1165 17.16,1166 18066,1167 28457,1168 24.444,1169 40.892,1170 53.049,1171 54.614,1172 54.013,1173 52.575,1174 52.624,1175 71.561,1176 6.392,1177 144.185,1178 51.726,1179 5.41,1180 5.619,1181 6.275,1182 5.057,1183 5.03,1184 7.43,1185 2.555,1186 16.969,1187 4.991,1188 13.753,1189 1.474,1190 1.517,1191 1.5,1192 1.46,1193 1.462,1194 1.988,1195 0.178,1196 4.005,1197 1.437,1198 4.115,1199 4.151,1200 4.066,1201 4.027,1202 7.431,1203 4.032,1204 3.981,1205 4.005,1206 3.933,1207 3.898,1208 7.426,1209 3.902,1210 3.883,1211 3.903,1212 3.827,1213 3.815,1214 4.929,1215 3.815,1216 3.658,1217 3.717,1218 3.518,1219 3.523,1220 4.833,1221 3.512,1222 3.467,1223 3.517,1224 3.364,1225 3.349,1226 4.717,1227 3.341,1228 3.417,1229 3.461,1230 3.302,1231 3.236,1232 4.368,1233 3.241,1234 3.326,1235 3.359,1236 3.248,1237 3.112,1238 4.307,1239 3.145,1240 3.177,1241 3.244,1242 3.043,1243 2.994,1244 4.003,1245 2.999,1246 0.125,1247 0.101,1248 0.181,1249 0.111,1250 0.084,1251 4.493,1252 0.123,1253 3.619,1254 0.035,1255 6.505,1256 0.283,1257 3.997,1258 0.083,1259 3.03,1260 4.43,1261 1.277,1262 10.194,1263 2.991,1264 2.07,1265 2.04,1266 2.161,1267 2.179,1268 1.353,1269 2.176,1270 1.936,1271 1.915,1272 2.033,1273 2.042,1274 1.195,1275 2.038,1276 1.874,1277 1.854,1278 1.985,1279 1.968,1280 1.12,1281 1.973,1282 1.665,1283 1.606,1284 1.905,1285 1.829,1286 1.06,1287 1.857,1288 1.463,1289 1.415,1290 1.664,1291 1.62,1292 0.784,1293 1.635,1294 1.383,1295 1.334,1296 1.661,1297 1.602,1298 0.689,1299 1.621,1300 1.233,1301 1.197,1302 1.478,1303 1.478,1304 0.633,1305 1.462,1306 1.143,1307 1.083,1308 1.318,1309 1.376,1310 0.331,1311 1.382,1312 4.29,1314 5.58,1316 7.071,1318 8.655,1320 10.286,1322 1.484,1328 3.49,1329 2.813,1330 5.849,1340 38.772,1341 84.671,1342 198.453,1343 267.601,1344 320.904,1345 333.659,1346 333.659,1347 61.056,1348 7.868,1349 59.28,1350 59.28,1351 24,1352 12.496,1353 4.7,1354 3.858,1355 54.995,1356 190,1357 144,1358 0.137,1359 238.767,1360 415.29,1361 574.352,1362 37049,1364 23.045,1365 0.698,1366 0.567,1367 23.045,1368 18.713,1369 16.114,1370 0.448,1371 0.312,1372 11.117,1373 15.673,1374 10.854,1375 9.038,1376 16.114,1377 11.225,1378 13.984,1379 0.291,1380 0.167,1381 13.984,1382 8.024,1383 11.605,1384 0.187,1385 0.091,1386 11.605,1387 5.66,1388 9.569,1389 0.124,1390 0.051,1391 9.569,1392 3.914,1393 7.613,1394 0.082,1395 0.028,1396 7.613,1397 2.649,1398 0.228,1399 99.731,1400 0.202,1401 31.855,1402 0.343,1403 168,1404 459.872,1405 180.329,1406 447.715,1407 612.55,1408 420,1409 194,1410 447.516,1411 206.139,1412 454.472,1413 658.95,1414 430,1415 7.276}
{0 CHEMBL2159659,1 1.411,2 15.97,3 4.489,4 20.154,5 129.767,6 7.326,7 0.639,8 4.17,9 4.28,10 3.724,11 3.763,12 5.277,13 3.73,14 4.681,15 4.838,16 4.043,17 4.13,18 5.761,19 4.076,20 4.952,21 5.151,22 4.099,23 4.25,24 6.005,25 4.172,26 4.973,27 5.187,28 3.998,29 4.191,30 6.037,31 4.093,32 4.958,33 5.197,34 3.872,35 4.132,36 5.97,37 4.016,38 4.857,39 5.092,40 3.819,41 4.068,42 5.955,43 3.94,44 4.78,45 5.009,46 3.716,47 3.999,48 5.741,49 3.875,50 4.716,51 4.951,52 3.642,53 3.9,54 5.698,55 3.781,56 0.025,57 0.787,58 11.944,59 5.625,60 7.189,61 7.239,62 0.171,63 1.282,64 21.813,65 9.254,66 21.262,67 12.116,68 0.271,69 1.617,70 30.922,71 12.141,72 45.848,73 15.955,74 0.338,75 1.648,76 32.252,77 12.17,78 53.932,79 16.244,80 0.401,81 1.592,82 32.939,83 12.18,84 58.139,85 16.401,86 0.452,87 1.402,88 29.408,89 11.903,90 78.789,91 16.234,92 0.225,93 1.303,94 26.969,95 10.921,96 44.07,97 14.586,98 0.219,99 1.239,100 25.475,101 9.859,102 42.879,103 13.258,104 11,105 48,106 0.226,107 0.532,108 0.721,109 0.849,110 0.883,111 0.889,112 3.531,113 0.935,114 -5.4,115 -5.28,116 -4.93,121 46.7,122 1,123 2,127 2,144 13,145 4,146 2,147 2,159 1,160 1,176 16,180 6,183 1,185 3,187 17,189 3,192 6,197 4,200 10,203 3,206 7,209 1,211 4,214 9,216 2,219 3,221 1,227 15,229 1,231 2,232 3,235 1,239 17,244 4,251 12,253 2,256 7,261 1,264 5,266 2,269 5,274 1,277 4,279 1,281 2078,282 22.551,283 22.551,284 22.551,285 22.551,286 22.551,287 19.574,288 20.083,289 13.655,290 22.78,291 17.793,292 17.793,293 17.793,294 17.793,295 17.793,296 13.322,297 21.748,298 6.498,299 18.154,300 4.496,301 2.579,302 1.394,303 0.592,304 0.379,305 0.346,306 4.231,311 1,312 1,313 1142,314 3.937,318 467.38,322 183.789,325 2.582,326 27.847,329 0.75,330 1,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.84,337 70,338 527,339 4.406,340 3.619,341 6.425,342 3.997,343 3,344 4.336,345 1.277,346 9.841,347 2.991,348 4.347,349 3.525,350 6.183,351 3.908,352 2.923,353 3.949,354 1.058,355 9.226,356 2.883,357 4.158,358 2.944,359 6.019,360 3.779,361 2.775,362 3.749,363 0.86,364 8.544,365 2.785,366 3.723,367 2.872,368 5.317,369 3.35,370 2.399,371 3.065,373 6.868,374 2.268,375 3.647,376 2.607,377 5.257,378 3.237,379 2.3,380 3.055,382 6.678,383 2.148,384 3.355,385 2.41,386 4.917,387 2.967,388 1.952,389 2.586,391 5.347,392 1.971,393 3.118,394 2.05,395 4.415,396 2.617,397 1.64,398 2.427,400 4.371,401 1.612,402 2.973,403 1.677,404 4.1,405 2.614,406 1.618,407 2.137,409 3.621,410 1.594,411 2.908,412 1.618,413 3.726,414 2.501,415 1.513,416 2.097,418 3.308,419 1.492,420 2.755,421 1.538,422 3.671,423 2.393,424 1.401,425 1.779,427 3.001,428 1.387,429 2.616,430 1.425,431 3.606,432 2.211,433 1.2,434 1.609,436 2.877,437 1.202,438 2.532,439 1.312,440 3.466,441 2.028,442 1,443 1.5,445 2.304,446 1.024,447 2.5,448 1.085,449 3.414,450 2,451 1,452 1.475,454 2.275,455 1,456 2.201,457 1,458 3.22,459 1.803,460 0.847,461 1.078,463 1.887,464 0.804,465 1.912,466 0.7,467 3.1,468 1.622,469 0.651,470 0.83,472 1.492,473 0.629,474 15.8,475 0.479,476 0.661,477 0.02,478 45.25,479 1.371,480 25,481 0.758,482 20.25,483 0.614,484 24.956,485 0.756,486 34.3,487 0.572,488 34.564,489 1.047,490 9.09,491 0.275,492 7.007,493 0.212,494 0.074,496 0.278,501 0.7,502 1.171,503 0.793,504 1.026,505 0.558,506 0.935,507 0.881,508 1.106,509 0.928,510 1.031,511 0.592,512 0.989,513 1.201,514 1.085,515 1.014,516 1.008,517 1,518 0.989,519 1.185,520 1.135,521 1.108,522 1.09,523 1.041,524 1.086,525 1.205,526 0.893,527 1.075,528 0.935,529 1.274,530 0.974,531 0.629,532 0.94,533 0.913,534 1.015,535 0.755,536 1.009,537 1.034,538 1.028,539 1.021,540 1.054,541 0.966,542 1.047,543 1.098,544 1.047,545 1.047,546 1.062,547 1.016,548 1.049,549 5.5,550 0.14,551 3.333,552 1.563,553 1.52,554 0.938,555 0.384,556 0.351,557 0.25,558 0.158,559 19730,560 48259,561 2.097,562 45,564 17,566 2,567 1,568 3,569 4,572 1.742,573 2,574 3.913,575 -0.442,582 84.671,583 1.411,584 3.328,585 4.513,586 5.315,587 5.528,588 5.561,589 3.351,590 4.658,591 5.019,592 4.163,593 2198,594 8.729,595 37009.4,597 1,600 354.413,601 1.241,602 4.992,603 0.153,604 0.006,605 0.069,606 0.032,607 0.036,608 0.025,609 0.011,610 0.011,611 0.009,612 0.006,613 0.358,614 0.33,615 1,616 0.62,617 182.532,618 -0.01,619 -0.078,620 0.047,621 -0.02,622 -0.036,623 0.014,624 0.009,625 -0.042,626 -0.021,627 -0.047,628 0.041,629 -0.039,630 -0.104,631 -0.073,632 -0.04,633 -0.033,634 -0.038,635 -0.03,636 -0.06,637 -0.119,638 -0.115,639 -0.131,640 -0.009,641 -0.13,642 -0.08,643 0.1,644 -0.06,645 0.028,646 -0.087,647 -0.002,648 0.298,649 -0.005,650 0.078,651 -0.014,652 0.262,653 0.001,654 -0.056,655 -0.089,656 -0.033,657 -0.054,658 -0.054,659 -0.045,660 -0.063,661 -0.079,662 -0.045,663 -0.083,664 -0.057,665 -0.064,666 1.928,667 5.55,668 0.667,669 42.637,670 0.996,671 1.114,672 4.165,673 17.348,674 0.682,675 3.611,676 3.892,677 4.127,678 4.331,679 4.533,680 4.5,681 4.522,682 4.543,683 4.605,684 4.575,685 9.574,686 0.646,687 439.57,688 3.611,689 5.13,690 5.958,691 6.808,692 7.65,693 8.503,694 9.349,695 10.203,696 11.052,697 11.906,698 3.3,705 1,708 1,714 2,715 15,720 4,721 1,722 23,727 1,729 1,739 1,741 60,743 25,744 3,745 36,747 63,748 28,749 21,750 6,751 12,752 2,756 4,757 5,763 1,770 2,772 23,773 5,777 2,782 2,786 2,793 27,794 4,795 1,796 5,802 2,803 1,808 0.75,809 3,822 1,829 4,833 1,859 3,864 1,868 33,876 4,877 1,878 1,893 5,896 2,898 1,901 16.5,902 11,903 7.361,904 3.708,907 4.434,908 1.564,909 0.993,910 7.487,911 12.302,912 3.922,913 4.505,914 5.077,915 5.627,916 6.172,917 6.311,918 6.575,919 6.804,920 7.096,921 6.946,922 1,923 49,924 12.212,926 5.118,927 0.026,929 7.722,931 23.406,933 18.918,936 2.222,937 73.333,940 1,941 306.049,942 191.234,943 19.91,945 61.29,948 191.234,949 367.338,950 19.91,951 8.825,952 29.778,953 123.191,954 85.569,955 48.612,957 282.506,959 306.049,960 211.144,961 61.29,964 258.964,965 108.374,968 56.698,969 152.547,970 1.899,972 306.049,973 81.2,974 191.234,977 306.049,978 41.123,979 152.01,980 18.011,981 61.29,982 306.049,983 81.2,984 191.234,986 0.571,987 0.33,988 0.176,989 0.095,990 21,991 9,992 0.143,993 9,994 1,995 1.091,996 4.671,997 279.935,998 0.091,999 22,1000 162.465,1005 22.692,1006 10.888,1007 6.056,1008 2.488,1009 79.3,1010 28.822,1015 2.245,1016 2.208,1017 18.011,1018 578.482,1019 49.5,1024 24.29,1028 -0.351,1031 59.731,1032 66.815,1034 0.239,1035 0.563,1036 0.764,1037 0.9,1038 0.936,1039 0.941,1040 5.122,1041 1.618,1042 5.911,1043 4.371,1044 4.575,1045 5.193,1046 2.077,1047 6.661,1048 4.54,1049 6.315,1050 1.513,1051 7.431,1052 3.621,1053 4.007,1054 4.89,1056 7.448,1057 3.975,1058 7.603,1059 1.401,1060 9.052,1061 3.308,1062 6.107,1063 7.384,1064 2.296,1065 10.517,1066 6.042,1067 8.929,1068 1.2,1069 10.735,1070 3.001,1071 6.382,1072 7.927,1074 12.153,1075 6.328,1076 10.286,1077 1,1078 12.459,1079 2.877,1080 7.912,1081 9.869,1082 2.589,1083 14.707,1084 7.832,1085 11.667,1086 1,1087 14.21,1088 2.304,1089 8.592,1090 10.829,1092 16.689,1093 8.526,1094 13.066,1095 0.847,1096 15.98,1097 2.275,1098 9.871,1099 12.517,1100 2.941,1101 19.057,1102 9.786,1103 3,1104 0.651,1105 17.765,1106 1.887,1107 10.753,1108 13.7,1110 21.189,1111 10.678,1112 2.923,1113 9.841,1114 19.56,1115 1.492,1116 11.917,1117 15.261,1118 3.337,1119 23.488,1120 11.83,1121 2.775,1122 9.226,1123 21.363,1124 4.336,1125 12.898,1126 16.564,1128 25.688,1129 12.817,1130 2.399,1131 8.544,1132 23.173,1133 3.949,1134 14.011,1135 18.064,1136 3.763,1137 27.961,1138 13.922,1139 2.3,1140 6.868,1141 24.988,1142 3.749,1143 15.041,1144 19.432,1146 30.192,1147 14.954,1148 1.952,1149 6.678,1150 26.807,1151 3.065,1152 16.133,1153 20.902,1154 4.21,1155 32.457,1156 16.04,1157 1.64,1158 5.347,1159 28.63,1160 3.055,1161 17.187,1162 22.307,1164 34.705,1165 17.093,1166 18495,1167 29098,1168 24.444,1169 40.892,1170 53.05,1171 54.591,1172 53.836,1173 52.561,1174 52.611,1175 71.54,1176 6.392,1177 143.685,1178 51.74,1179 5.321,1180 5.619,1181 6.194,1182 5.056,1183 5,1184 7.336,1185 2.555,1186 16.481,1187 4.991,1188 13.779,1189 1.474,1190 1.516,1191 1.495,1192 1.46,1193 1.461,1194 1.987,1195 0.178,1196 3.991,1197 1.437,1198 4.106,1199 4.14,1200 4.055,1201 4.03,1202 7.431,1203 4.032,1204 3.981,1205 4.004,1206 3.933,1207 3.898,1208 7.426,1209 3.902,1210 3.883,1211 3.903,1212 3.827,1213 3.816,1214 4.926,1215 3.815,1216 3.688,1217 3.747,1218 3.56,1219 3.548,1220 4.833,1221 3.541,1222 3.473,1223 3.528,1224 3.372,1225 3.311,1226 4.717,1227 3.312,1228 3.416,1229 3.461,1230 3.299,1231 3.236,1232 4.397,1233 3.241,1234 3.31,1235 3.345,1236 3.23,1237 3.098,1238 4.302,1239 3.131,1240 3.108,1241 3.172,1242 2.969,1243 2.972,1244 3.934,1245 2.964,1246 0.122,1247 0.101,1248 0.178,1249 0.111,1250 0.083,1251 4.406,1252 0.12,1253 3.619,1254 0.035,1255 6.425,1256 0.273,1257 3.997,1258 0.083,1259 3,1260 4.336,1261 1.277,1262 9.841,1263 2.991,1264 2.069,1265 2.042,1266 2.161,1267 2.168,1268 1.34,1269 2.168,1270 1.936,1271 1.915,1272 2.033,1273 2.042,1274 1.212,1275 2.038,1276 1.874,1277 1.854,1278 1.986,1279 1.968,1280 1.12,1281 1.974,1282 1.688,1283 1.628,1284 1.918,1285 1.852,1286 1.061,1287 1.876,1288 1.442,1289 1.387,1290 1.664,1291 1.64,1292 0.813,1293 1.646,1294 1.383,1295 1.334,1296 1.65,1297 1.603,1298 0.689,1299 1.621,1300 1.209,1301 1.178,1302 1.421,1303 1.462,1304 0.563,1305 1.432,1306 1.107,1307 1.048,1308 1.316,1309 1.312,1310 0.351,1311 1.339,1312 4.29,1314 5.58,1316 7.066,1318 8.641,1320 10.261,1322 1.484,1328 3.504,1329 2.811,1330 5.832,1340 38.772,1341 84.671,1342 199.651,1343 270.798,1344 318.904,1345 331.659,1346 333.659,1347 61.061,1348 7.868,1349 59.28,1350 59.28,1351 24,1352 12.462,1353 4.7,1354 3.858,1355 55.046,1356 194,1357 163,1358 0.134,1359 238.767,1360 415.29,1361 574.352,1362 37161,1364 23.045,1365 0.698,1366 0.567,1367 23.045,1368 18.713,1369 16.097,1370 0.447,1371 0.312,1372 11.109,1373 15.653,1374 10.845,1375 9.034,1376 16.097,1377 11.219,1378 14.068,1379 0.293,1380 0.168,1381 14.068,1382 8.067,1383 11.568,1384 0.19,1385 0.092,1386 11.568,1387 5.613,1388 9.398,1389 0.125,1390 0.051,1391 9.398,1392 3.812,1393 7.545,1394 0.082,1395 0.028,1396 7.545,1397 2.601,1398 0.224,1399 99.668,1400 0.202,1401 32.007,1402 0.332,1403 168,1404 459.872,1405 179.996,1406 448.008,1407 612.05,1408 420,1409 193,1410 446.234,1411 204.806,1412 453.969,1413 656.75,1414 429,1415 7.339}
{0 CHEMBL2159660,1 1.398,2 16.794,3 4.946,4 24.458,5 134.368,6 7.2,7 0.622,8 4.213,9 4.326,10 3.752,11 3.803,12 5.303,13 3.766,14 4.732,15 4.895,16 4.066,17 4.172,18 5.79,19 4.111,20 5.01,21 5.216,22 4.122,23 4.293,24 6.035,25 4.207,26 5.029,27 5.25,28 4.022,29 4.237,30 6.066,31 4.131,32 5.014,33 5.259,34 3.898,35 4.177,36 5.998,37 4.056,38 4.924,39 5.167,40 3.844,41 4.121,42 5.989,43 3.986,44 4.828,45 5.057,46 3.746,47 4.071,48 5.769,49 3.935,50 4.811,51 5.052,52 3.66,53 3.972,54 5.751,55 3.835,56 0.032,57 0.828,58 12.872,59 5.987,60 7.731,61 7.798,62 0.182,63 1.351,64 23.477,65 9.884,66 22.639,67 13.112,68 0.287,69 1.708,70 33.247,71 12.974,72 47.872,73 17.322,74 0.354,75 1.736,76 34.522,77 12.977,78 56.264,79 17.575,80 0.36,81 1.678,82 34.985,83 12.939,84 59.176,85 17.612,86 0.57,87 1.498,88 31.943,89 12.547,90 82.662,91 17.247,92 0.193,93 1.374,94 28.024,95 11.715,96 42.544,97 15.858,98 0.234,99 1.342,100 28.25,101 11.067,102 46.051,103 15.007,104 11,105 49,106 0.221,107 0.526,108 0.718,109 0.853,110 0.885,111 0.89,112 3.559,113 0.95,114 -5.59,115 -5.46,116 -5.1,121 46,122 1,123 3,127 2,144 13,145 4,146 2,147 2,159 1,160 1,176 17,180 6,183 1,185 3,187 18,189 3,192 6,197 4,200 10,203 3,206 8,209 1,211 4,214 9,216 3,219 3,227 15,229 1,231 2,232 3,234 1,235 1,239 21,244 2,251 16,256 7,261 1,264 8,266 2,269 5,274 1,277 1,279 2,281 2304,282 23.258,283 23.258,284 23.258,285 23.258,286 23.258,287 20.281,288 20.083,289 14.155,290 23.487,291 18.293,292 18.293,293 18.293,294 18.293,295 18.293,296 13.822,297 21.748,298 6.748,299 18.654,300 4.58,301 2.66,302 1.446,303 0.595,304 0.393,305 0.361,306 4.259,312 1,313 1236,314 4.062,318 490.821,322 193.3,325 2.713,326 28.145,329 0.75,330 0.67,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.79,337 72,338 571,339 4.406,340 3.619,341 6.425,342 3.997,343 3,344 4.336,345 1.277,346 9.841,347 2.991,348 4.347,349 3.525,350 6.183,351 3.908,352 2.923,353 3.949,354 1.058,355 9.226,356 2.883,357 4.158,358 2.944,359 6.019,360 3.779,361 2.775,362 3.749,363 0.86,364 8.544,365 2.785,366 3.723,367 2.872,368 5.317,369 3.349,370 2.398,371 3.064,373 6.868,374 2.268,375 3.648,376 2.607,377 5.257,378 3.24,379 2.303,380 3.055,382 6.678,383 2.152,384 3.355,385 2.411,386 4.917,387 2.968,388 1.953,389 2.586,391 5.347,392 1.972,393 3.118,394 2.056,395 4.415,396 2.706,397 1.722,398 2.427,400 4.371,401 1.689,402 2.974,403 1.737,404 4.101,405 2.614,406 1.618,407 2.137,409 3.648,410 1.612,411 2.91,412 1.618,413 3.785,414 2.516,415 1.528,416 2.098,418 3.447,419 1.503,420 2.779,421 1.538,422 3.679,423 2.409,424 1.415,425 1.805,427 3.018,428 1.406,429 2.683,430 1.439,431 3.615,432 2.234,433 1.235,434 1.68,436 2.905,437 1.223,438 2.532,439 1.312,440 3.466,441 2.028,442 1.039,443 1.5,445 2.305,446 1.024,447 2.5,448 1.273,449 3.414,450 2.012,451 1,452 1.475,454 2.286,455 1.004,456 2.242,457 1,458 3.32,459 2,460 1,461 1.184,463 2.275,464 1,465 2.103,466 0.751,467 3.151,468 1.679,469 0.697,470 0.986,472 1.597,473 0.683,474 16.3,475 0.479,476 0.661,477 0.019,478 45.75,479 1.346,480 25,481 0.735,482 20.75,483 0.61,484 26.745,485 0.787,486 35.6,487 0.565,488 34.85,489 1.025,490 9.09,491 0.267,492 7.507,493 0.221,494 0.072,496 0.27,501 0.701,502 1.181,503 0.812,504 1.041,505 0.557,506 0.953,507 0.873,508 1.12,509 0.943,510 1.049,511 0.586,512 1.007,513 1.177,514 1.076,515 1.001,516 1.002,517 0.979,518 0.982,519 1.163,520 1.124,521 1.09,522 1.08,523 1.02,524 1.073,525 1.228,526 0.928,527 1.061,528 0.949,529 1.252,530 0.971,531 0.697,532 0.838,533 0.934,534 0.927,535 0.77,536 0.958,537 0.86,538 1.066,539 1.025,540 1.119,541 0.923,542 1.104,543 1.075,544 1.081,545 1.062,546 1.104,547 0.992,548 1.089,549 5.5,550 0.099,551 3.333,552 1.563,553 1.52,554 0.938,555 0.425,556 0.288,557 0.274,558 0.178,559 21927,560 52650,561 2.095,562 46,563 2,564 17,566 2,567 1,568 3,569 4,572 1.749,573 2,574 3.981,575 -0.45,582 88.051,583 1.398,584 3.317,585 4.531,586 5.382,587 5.584,588 5.616,589 3.385,590 4.735,591 5.062,592 4.235,593 2375.99,594 8.811,595 41603.5,597 1,600 376.569,601 1.223,602 5.037,603 0.149,604 0.004,605 0.068,606 0.031,607 0.035,608 0.025,609 0.012,610 0.009,611 0.009,612 0.007,613 0.349,614 0.33,615 0.88,616 0.608,617 190.715,618 -0.007,619 -0.076,620 0.048,621 -0.019,622 -0.028,623 0.014,624 0.014,625 -0.051,626 -0.023,627 -0.055,628 0.049,629 -0.046,630 -0.09,631 -0.065,632 -0.021,633 -0.023,634 -0.024,635 -0.016,636 -0.048,637 -0.11,638 -0.095,639 -0.117,640 0.004,641 -0.113,642 -0.115,643 0.06,644 -0.048,645 0.015,646 -0.078,648 0.296,649 0.11,650 0.064,651 0.065,652 0.241,653 0.04,654 -0.022,655 -0.124,656 -0.06,657 -0.11,658 -0.042,659 -0.095,660 -0.05,661 -0.133,662 -0.063,663 -0.118,664 -0.059,665 -0.097,666 1.925,667 5.557,668 0.647,669 46.118,670 0.994,671 1.115,672 4.361,673 19.015,674 0.677,675 3.638,676 3.912,677 4.143,678 4.344,679 4.543,680 4.511,681 4.533,682 4.543,683 4.605,684 4.564,685 10.057,686 0.64,687 453.6,688 3.638,689 5.153,690 5.979,691 6.825,692 7.665,693 8.516,694 9.36,695 10.213,696 11.06,697 11.913,698 3.2,705 1,708 1,714 2,715 15,720 4,721 1,722 23,727 1,729 1,739 1,741 63,743 25,744 3,745 37,747 66,748 29,749 21,750 6,751 12,752 2,756 4,757 5,763 1,770 3,772 23,773 6,777 2,782 2,786 2,793 29,794 4,795 1,796 5,802 2,803 1,808 0.75,809 3,822 1,829 4,833 1,859 3,864 1,868 34,876 5,877 1,878 1,893 4.8,896 2,898 1,901 17,902 11.5,903 7.611,904 3.958,907 4.405,908 1.557,909 0.989,910 8.057,911 12.306,912 3.942,913 4.516,914 5.083,915 5.63,916 6.174,917 6.313,918 6.577,919 6.801,920 7.088,921 6.92,922 0.909,923 50,924 12.591,926 5.26,927 0.026,929 7.701,931 24.223,933 19.585,936 2.201,937 74.833,941 329.591,942 193.768,943 19.91,945 61.29,948 193.768,949 390.881,950 19.91,951 8.825,952 32.312,953 123.191,954 85.569,955 48.612,957 306.049,959 329.591,960 213.678,961 61.29,964 282.506,965 108.374,968 59.232,969 152.547,970 1.899,972 329.591,973 81.2,974 193.768,977 329.591,978 43.657,979 152.01,980 18.011,981 61.29,982 329.591,983 81.2,984 193.768,986 0.569,987 0.327,988 0.174,989 0.094,990 21,991 9,992 0.152,993 10,994 1,995 1.091,996 4.79,997 288.308,998 0.091,999 22,1000 168.974,1005 23.658,1006 11.579,1007 6.53,1008 2.519,1009 79.3,1010 28.954,1015 2.264,1016 2.238,1017 18.011,1018 604.559,1019 50.5,1024 24.302,1028 -0.345,1031 62.614,1032 70.23,1034 0.234,1035 0.555,1036 0.758,1037 0.9,1038 0.934,1039 0.94,1040 5.14,1041 1.618,1042 5.927,1043 4.371,1044 4.595,1045 5.204,1046 2.077,1047 6.671,1048 4.561,1049 6.327,1050 1.528,1051 7.442,1052 3.648,1053 4.007,1054 4.89,1056 7.448,1057 3.975,1058 7.613,1059 1.415,1060 9.06,1061 3.447,1062 6.12,1063 7.388,1064 2.296,1065 10.519,1066 6.056,1067 8.935,1068 1.235,1069 10.741,1070 3.018,1071 6.382,1072 7.927,1074 12.153,1075 6.328,1076 10.291,1077 1.039,1078 12.463,1079 2.905,1080 7.92,1081 9.87,1082 2.589,1083 14.707,1084 7.84,1085 11.671,1086 1,1087 14.212,1088 2.305,1089 8.592,1090 10.829,1092 16.689,1093 8.526,1094 13.069,1095 1,1096 15.982,1097 2.286,1098 9.875,1099 12.517,1100 2.941,1101 19.057,1102 9.79,1103 3,1104 0.697,1105 17.766,1106 2.275,1107 10.753,1108 13.7,1110 21.189,1111 10.678,1112 2.923,1113 9.841,1114 19.561,1115 1.597,1116 11.919,1117 15.261,1118 3.337,1119 23.488,1120 11.832,1121 2.775,1122 9.226,1123 21.364,1124 4.336,1125 12.898,1126 16.564,1128 25.688,1129 12.817,1130 2.398,1131 8.544,1132 23.173,1133 3.949,1134 14.012,1135 18.064,1136 3.763,1137 27.961,1138 13.923,1139 2.303,1140 6.868,1141 24.988,1142 3.749,1143 15.041,1144 19.432,1146 30.192,1147 14.954,1148 1.953,1149 6.678,1150 26.807,1151 3.064,1152 16.133,1153 20.902,1154 4.21,1155 32.457,1156 16.04,1157 1.722,1158 5.347,1159 28.63,1160 3.055,1161 17.187,1162 22.307,1164 34.705,1165 17.093,1166 20557,1167 32047,1168 25.137,1169 42.654,1170 54.305,1171 55.98,1172 55.088,1173 53.915,1174 53.935,1175 72.868,1176 6.392,1177 146.349,1178 53.061,1179 5.335,1180 5.619,1181 6.25,1182 5.053,1183 5,1184 7.336,1185 2.555,1186 16.481,1187 4.991,1188 14.125,1189 1.468,1190 1.513,1191 1.489,1192 1.457,1193 1.458,1194 1.969,1195 0.173,1196 3.955,1197 1.434,1198 4.106,1199 4.14,1200 4.055,1201 4.031,1202 7.431,1203 4.032,1204 3.982,1205 4.005,1206 3.934,1207 3.899,1208 7.426,1209 3.903,1210 3.884,1211 3.904,1212 3.827,1213 3.816,1214 4.926,1215 3.815,1216 3.716,1217 3.776,1218 3.579,1219 3.586,1220 4.834,1221 3.574,1222 3.52,1223 3.579,1224 3.409,1225 3.358,1226 4.717,1227 3.361,1228 3.417,1229 3.461,1230 3.306,1231 3.236,1232 4.395,1233 3.241,1234 3.332,1235 3.366,1236 3.256,1237 3.125,1238 4.311,1239 3.152,1240 3.195,1241 3.261,1242 3.036,1243 3.03,1244 3.979,1245 3.027,1246 0.119,1247 0.098,1248 0.174,1249 0.108,1250 0.081,1251 4.406,1252 0.117,1253 3.619,1254 0.035,1255 6.425,1256 0.266,1257 3.997,1258 0.081,1259 3,1260 4.336,1261 1.277,1262 9.841,1263 2.991,1264 2.07,1265 2.042,1266 2.162,1267 2.168,1268 1.363,1269 2.169,1270 1.936,1271 1.915,1272 2.034,1273 2.042,1274 1.245,1275 2.039,1276 1.874,1277 1.854,1278 1.994,1279 1.97,1280 1.121,1281 1.977,1282 1.724,1283 1.664,1284 1.95,1285 1.88,1286 1.065,1287 1.907,1288 1.493,1289 1.434,1290 1.709,1291 1.688,1292 0.94,1293 1.699,1294 1.383,1295 1.334,1296 1.663,1297 1.604,1298 0.689,1299 1.621,1300 1.257,1301 1.214,1302 1.515,1303 1.488,1304 0.635,1305 1.482,1306 1.167,1307 1.116,1308 1.325,1309 1.397,1310 0.418,1311 1.397,1312 4.317,1314 5.602,1316 7.083,1318 8.653,1320 10.27,1322 1.486,1328 4.766,1329 2.815,1330 5.836,1340 40.299,1341 88.051,1342 208.999,1343 285.443,1344 339.059,1345 351.814,1346 353.814,1347 64.432,1348 7.901,1349 59.28,1350 59.28,1351 24,1352 12.47,1353 4.7,1354 3.858,1355 57.674,1356 210,1357 176,1358 0.128,1359 248.36,1360 432.59,1361 597.757,1362 39843,1364 23.753,1365 0.699,1366 0.571,1367 23.753,1368 19.421,1369 16.597,1370 0.449,1371 0.317,1372 11.609,1373 16.153,1374 11.335,1375 9.45,1376 16.597,1377 11.719,1378 14.421,1379 0.294,1380 0.172,1381 14.421,1382 8.421,1383 11.818,1384 0.191,1385 0.095,1386 11.818,1387 5.863,1388 9.575,1389 0.126,1390 0.052,1391 9.575,1392 3.988,1393 7.67,1394 0.082,1395 0.029,1396 7.67,1397 2.711,1398 0.216,1399 102.668,1400 0.199,1401 32.948,1402 0.316,1403 172,1404 463.872,1405 183.996,1406 452.169,1407 617.81,1408 424,1409 197,1410 450.234,1411 208.806,1412 458.131,1413 662.51,1414 433,1415 7.35}
{0 CHEMBL2159661,1 1.385,2 17.6,3 5.402,4 29.178,5 138.969,6 7.085,7 0.605,8 4.255,9 4.37,10 3.779,11 3.842,12 5.329,13 3.801,14 4.781,15 4.948,16 4.089,17 4.213,18 5.818,19 4.145,20 5.064,21 5.278,22 4.144,23 4.335,24 6.064,25 4.241,26 5.082,27 5.31,28 4.047,29 4.281,30 6.094,31 4.168,32 5.068,33 5.318,34 3.926,35 4.224,36 6.028,37 4.095,38 4.983,39 5.231,40 3.872,41 4.167,42 6.016,43 4.027,44 4.897,45 5.135,46 3.774,47 4.123,48 5.809,49 3.981,50 4.858,51 5.098,52 3.692,53 4.046,54 5.778,55 3.897,56 0.038,57 0.869,58 13.79,59 6.347,60 8.363,61 8.352,62 0.192,63 1.42,64 25.108,65 10.509,66 24.073,67 14.093,68 0.302,69 1.797,70 35.492,71 13.793,72 49.86,73 18.651,74 0.37,75 1.822,76 36.714,77 13.771,78 58.399,79 18.871,80 0.371,81 1.761,82 37.027,83 13.713,84 60.451,85 18.86,86 0.53,87 1.584,88 33.915,89 13.309,90 84.019,91 18.397,92 0.306,93 1.47,94 30.546,95 12.366,96 45.79,97 16.893,98 0.204,99 1.413,100 29.282,101 11.856,102 44.684,103 16.256,104 11,105 50,106 0.217,107 0.518,108 0.708,109 0.846,110 0.886,111 0.891,112 3.587,113 0.965,114 -5.78,115 -5.65,116 -5.26,121 45.5,122 1,123 4,127 2,144 13,145 4,146 2,147 2,159 1,160 1,176 18,180 6,183 1,185 3,187 19,189 3,192 6,197 4,200 11,203 3,206 8,209 1,211 4,214 9,216 3,219 4,227 15,229 2,231 2,232 3,235 1,239 21,244 2,246 1,251 20,256 5,261 1,264 12,269 5,274 1,277 4,279 2,281 2531,282 23.966,283 23.966,284 23.966,285 23.966,286 23.966,287 20.988,288 20.083,289 14.655,290 24.194,291 18.793,292 18.793,293 18.793,294 18.793,295 18.793,296 14.322,297 21.748,298 6.998,299 19.154,300 4.66,301 2.747,302 1.54,303 0.659,304 0.405,305 0.375,306 4.287,312 1,313 1332,314 4.183,318 514.163,322 202.769,325 2.857,326 28.384,329 0.75,330 0.5,331 0.83,332 0.8,333 0.5,334 0.83,335 0.5,336 0.67,337 74,338 616,339 4.406,340 3.619,341 6.425,342 3.997,343 3,344 4.336,345 1.277,346 9.841,347 2.991,348 4.347,349 3.525,350 6.183,351 3.908,352 2.923,353 3.949,354 1.058,355 9.226,356 2.883,357 4.158,358 2.944,359 6.019,360 3.779,361 2.775,362 3.749,363 0.86,364 8.544,365 2.785,366 3.723,367 2.872,368 5.317,369 3.349,370 2.398,371 3.064,373 6.868,374 2.267,375 3.648,376 2.607,377 5.257,378 3.241,379 2.304,380 3.056,382 6.678,383 2.154,384 3.355,385 2.411,386 4.917,387 2.968,388 1.954,389 2.586,391 5.347,392 1.972,393 3.118,394 2.06,395 4.415,396 2.774,397 1.785,398 2.427,400 4.371,401 1.761,402 2.975,403 1.785,404 4.101,405 2.614,406 1.618,407 2.137,409 3.691,410 1.612,411 2.912,412 1.618,413 3.831,414 2.524,415 1.537,416 2.098,418 3.523,419 1.51,420 2.813,421 1.538,422 3.681,423 2.423,424 1.429,425 1.836,427 3.035,428 1.42,429 2.711,430 1.475,431 3.62,432 2.282,433 1.303,434 1.714,436 2.927,437 1.267,438 2.532,439 1.377,440 3.466,441 2.153,442 1.148,443 1.5,445 2.602,446 1.146,447 2.5,448 1.312,449 3.429,450 2.028,451 1,452 1.475,454 2.304,455 1.024,456 2.349,457 1,458 3.414,459 2,460 1,461 1.331,463 2.275,464 1,465 2.171,466 0.884,467 3.171,468 1.722,469 0.747,470 1.034,472 1.682,473 0.725,474 16.8,475 0.48,476 0.661,477 0.019,478 46.25,479 1.321,480 25,481 0.714,482 21.25,483 0.607,484 28.563,485 0.816,486 36.9,487 0.559,488 35.122,489 1.003,490 9.09,491 0.26,492 8.007,493 0.229,494 0.069,496 0.262,501 0.702,502 1.19,503 0.829,504 1.056,505 0.555,506 0.97,507 0.867,508 1.133,509 0.957,510 1.066,511 0.58,512 1.025,513 1.157,514 1.068,515 0.99,516 0.997,517 0.96,518 0.977,519 1.144,520 1.114,521 1.075,522 1.071,523 1.001,524 1.062,525 1.207,526 0.928,527 1.047,528 0.947,529 1.228,530 0.967,531 0.733,532 0.878,533 0.928,534 0.941,535 0.759,536 0.958,537 0.924,538 0.953,539 1.041,540 1.022,541 0.934,542 1.047,543 0.899,544 1.116,545 1.064,546 1.165,547 0.949,548 1.142,549 5.5,550 0.115,551 3.333,552 1.563,553 1.52,554 0.938,555 0.425,556 0.319,557 0.225,558 0.198,559 24272,560 57269,561 2.092,562 47,563 4,564 17,566 2,567 1,568 3,569 4,572 1.755,573 2,574 4.042,575 -0.458,582 91.388,583 1.385,584 3.297,585 4.505,586 5.385,587 5.639,588 5.669,589 3.476,590 4.822,591 5.104,592 4.304,593 2560.87,594 8.891,595 46568.6,600 398.93,601 1.206,602 5.08,603 0.145,604 0.004,605 0.067,606 0.031,607 0.035,608 0.024,609 0.011,610 0.009,611 0.007,612 0.008,613 0.341,614 0.33,615 0.63,616 0.597,617 198.944,618 -0.004,619 -0.074,620 0.048,621 -0.018,622 -0.022,623 0.014,624 0.019,625 -0.06,626 -0.026,627 -0.062,628 0.055,629 -0.052,630 -0.078,631 -0.058,632 -0.006,633 -0.015,634 -0.011,635 -0.005,636 -0.037,637 -0.102,638 -0.078,639 -0.106,640 0.016,641 -0.098,642 -0.104,643 0.058,644 -0.037,645 0.017,646 -0.065,647 0.005,648 0.246,649 0.07,650 0.066,651 0.049,652 0.239,653 0.039,654 -0.014,655 0.002,656 -0.064,657 -0.023,658 -0.054,659 -0.047,660 -0.018,661 -0.164,662 -0.088,663 -0.169,664 -0.047,665 -0.142,666 1.922,667 5.563,668 0.629,669 49.638,670 0.992,671 1.116,672 4.553,673 20.733,674 0.673,675 3.664,676 3.932,677 4.159,678 4.357,679 4.554,680 4.522,681 4.543,682 4.554,683 4.605,684 4.564,685 10.539,686 0.634,687 467.63,688 3.664,689 5.176,690 5.999,691 6.843,692 7.68,693 8.529,694 9.371,695 10.222,696 11.068,697 11.92,698 3,705 1,708 1,714 2,715 15,720 4,721 1,722 23,727 1,729 1,739 1,741 66,743 25,744 3,745 38,747 69,748 30,749 21,750 6,751 12,752 2,756 4,757 5,763 1,770 4,772 23,773 7,777 2,782 2,786 2,793 31,794 4,795 1,796 5,802 2,803 1,808 0.75,809 3,822 1,829 4,833 1,859 3,864 1,868 35,876 6,877 1,878 1,893 4.5,896 2,898 1,901 17.5,902 12,903 7.861,904 4.208,907 4.376,908 1.552,909 0.985,910 8.64,911 12.31,912 3.961,913 4.527,914 5.089,915 5.634,916 6.176,917 6.315,918 6.578,919 6.802,920 7.086,921 6.911,922 1,923 51,924 12.969,926 5.403,927 0.026,929 7.681,931 25.039,933 20.251,936 2.181,937 76.333,941 353.133,942 196.303,943 19.91,945 61.29,948 196.303,949 414.423,950 19.91,951 8.825,952 34.847,953 123.191,954 85.569,955 48.612,957 329.591,959 353.133,960 216.213,961 61.29,964 306.049,965 108.374,968 61.767,969 152.547,970 1.899,972 353.133,973 81.2,974 196.303,977 353.133,978 46.192,979 152.01,980 18.011,981 61.29,982 353.133,983 81.2,984 196.303,986 0.567,987 0.325,988 0.173,989 0.094,990 21,991 9,992 0.159,993 11,994 1,995 1.091,996 4.907,997 296.755,998 0.091,999 22,1000 173.525,1005 24.625,1006 12.28,1007 7.001,1008 2.542,1009 79.3,1010 29.058,1015 2.278,1016 2.259,1017 18.011,1018 630.636,1019 51.5,1024 24.314,1028 -0.341,1031 65.498,1032 73.645,1034 0.229,1035 0.546,1036 0.745,1037 0.891,1038 0.933,1039 0.938,1040 5.158,1041 1.618,1042 5.943,1043 4.371,1044 4.615,1045 5.215,1046 2.077,1047 6.681,1048 4.582,1049 6.34,1050 1.537,1051 7.454,1052 3.691,1053 4.007,1054 4.89,1056 7.448,1057 3.975,1058 7.622,1059 1.429,1060 9.068,1061 3.523,1062 6.133,1063 7.392,1064 2.296,1065 10.522,1066 6.07,1067 8.942,1068 1.303,1069 10.746,1070 3.035,1071 6.382,1072 7.927,1074 12.153,1075 6.328,1076 10.296,1077 1.148,1078 12.466,1079 2.927,1080 7.927,1081 9.871,1082 2.589,1083 14.708,1084 7.848,1085 11.674,1086 1,1087 14.215,1088 2.602,1089 8.592,1090 10.829,1092 16.689,1093 8.526,1094 13.071,1095 1,1096 15.983,1097 2.304,1098 9.879,1099 12.517,1100 2.941,1101 19.057,1102 9.794,1103 3,1104 0.747,1105 17.767,1106 2.275,1107 10.753,1108 13.7,1110 21.189,1111 10.678,1112 2.923,1113 9.841,1114 19.561,1115 1.682,1116 11.921,1117 15.261,1118 3.337,1119 23.488,1120 11.834,1121 2.775,1122 9.226,1123 21.364,1124 4.336,1125 12.898,1126 16.564,1128 25.688,1129 12.817,1130 2.398,1131 8.544,1132 23.174,1133 3.949,1134 14.013,1135 18.064,1136 3.763,1137 27.961,1138 13.924,1139 2.304,1140 6.868,1141 24.988,1142 3.749,1143 15.041,1144 19.432,1146 30.192,1147 14.954,1148 1.954,1149 6.678,1150 26.807,1151 3.064,1152 16.134,1153 20.902,1154 4.21,1155 32.458,1156 16.04,1157 1.785,1158 5.347,1159 28.63,1160 3.056,1161 17.187,1162 22.307,1164 34.705,1165 17.093,1166 22761,1167 35178,1168 25.83,1169 44.415,1170 55.549,1171 57.144,1172 56.395,1173 55.119,1174 55.163,1175 74.093,1176 6.392,1177 148.794,1178 54.292,1179 5.346,1180 5.619,1181 6.288,1182 5.051,1183 5,1184 7.336,1185 2.555,1186 16.481,1187 4.991,1188 14.466,1189 1.462,1190 1.504,1191 1.484,1192 1.451,1193 1.452,1194 1.95,1195 0.168,1196 3.916,1197 1.429,1198 4.106,1199 4.141,1200 4.055,1201 4.031,1202 7.431,1203 4.032,1204 3.982,1205 4.006,1206 3.934,1207 3.899,1208 7.426,1209 3.903,1210 3.884,1211 3.905,1212 3.827,1213 3.816,1214 4.926,1215 3.815,1216 3.739,1217 3.799,1218 3.595,1219 3.615,1220 4.835,1221 3.6,1222 3.559,1223 3.62,1224 3.442,1225 3.398,1226 4.717,1227 3.4,1228 3.418,1229 3.462,1230 3.313,1231 3.236,1232 4.394,1233 3.242,1234 3.362,1235 3.407,1236 3.272,1237 3.184,1238 4.316,1239 3.189,1240 3.262,1241 3.316,1242 3.116,1243 3.072,1244 4.032,1245 3.09,1246 0.116,1247 0.095,1248 0.169,1249 0.105,1250 0.079,1251 4.406,1252 0.114,1253 3.619,1254 0.034,1255 6.425,1256 0.259,1257 3.997,1258 0.079,1259 3,1260 4.336,1261 1.277,1262 9.841,1263 2.991,1264 2.07,1265 2.042,1266 2.162,1267 2.168,1268 1.384,1269 2.169,1270 1.936,1271 1.915,1272 2.035,1273 2.042,1274 1.266,1275 2.039,1276 1.874,1277 1.854,1278 2.007,1279 1.972,1280 1.122,1281 1.981,1282 1.751,1283 1.692,1284 1.966,1285 1.901,1286 1.076,1287 1.929,1288 1.538,1289 1.477,1290 1.767,1291 1.729,1292 1.029,1293 1.744,1294 1.383,1295 1.334,1296 1.663,1297 1.605,1298 0.718,1299 1.622,1300 1.331,1301 1.275,1302 1.578,1303 1.535,1304 0.689,1305 1.548,1306 1.189,1307 1.153,1308 1.361,1309 1.438,1310 0.53,1311 1.415,1312 4.344,1314 5.624,1316 7.099,1318 8.665,1320 10.278,1322 1.487,1328 6.076,1329 2.818,1330 5.841,1340 41.826,1341 91.388,1342 217.618,1343 297.315,1344 355.42,1345 372.175,1346 374.175,1347 67.865,1348 7.934,1349 59.28,1350 59.28,1351 24,1352 12.477,1353 4.7,1354 3.858,1355 60.351,1356 227,1357 189,1358 0.124,1359 257.952,1360 449.89,1361 621.163,1362 42614,1364 24.46,1365 0.699,1366 0.575,1367 24.46,1368 20.128,1369 17.097,1370 0.45,1371 0.322,1372 12.109,1373 16.653,1374 11.825,1375 9.867,1376 17.097,1377 12.219,1378 14.775,1379 0.296,1380 0.175,1381 14.775,1382 8.774,1383 12.068,1384 0.192,1385 0.097,1386 12.068,1387 6.113,1388 9.752,1389 0.127,1390 0.054,1391 9.752,1392 4.165,1393 7.795,1394 0.083,1395 0.03,1396 7.795,1397 2.836,1398 0.21,1399 105.668,1400 0.197,1401 33.877,1402 0.302,1403 176,1404 467.872,1405 187.996,1406 456.331,1407 623.57,1408 428,1409 201,1410 454.234,1411 212.806,1412 462.292,1413 668.27,1414 437,1415 8.027}
{0 CHEMBL2159662,1 1.398,2 16.118,3 5.374,4 28.88,5 133.996,6 7.2,7 0.622,8 4.213,9 4.326,10 3.752,11 3.803,12 5.303,13 3.766,14 4.733,15 4.894,16 4.069,17 4.169,18 5.789,19 4.108,20 5.012,21 5.22,22 4.138,23 4.291,24 6.033,25 4.21,26 5.031,27 5.246,28 4.056,29 4.266,30 6.075,31 4.166,32 5.05,33 5.289,34 3.926,35 4.235,36 6.032,37 4.107,38 4.981,39 5.232,40 3.852,41 4.159,42 6.019,43 4.013,44 4.849,45 5.085,46 3.747,47 4.078,48 5.776,49 3.939,50 4.811,51 5.051,52 3.668,53 3.966,54 5.759,55 3.83,56 0.032,57 0.828,58 12.872,59 5.987,60 7.731,61 7.798,62 0.174,63 1.352,64 23.458,65 9.877,66 22.805,67 13.116,68 0.298,69 1.721,70 33.412,71 12.807,72 47.539,73 17.144,74 0.362,75 1.751,76 34.357,77 12.945,78 54.688,79 17.451,80 0.347,81 1.735,82 35.907,83 13.706,84 59.72,85 18.586,86 0.576,87 1.578,88 34.011,89 13.449,90 85.543,91 18.588,92 0.201,93 1.4,94 28.821,95 11.978,96 43.237,97 16.282,98 0.219,99 1.342,100 28.212,101 11.065,102 46.022,103 15.011,104 11,105 49,106 0.221,107 0.522,108 0.71,109 0.858,110 0.89,111 0.89,112 3.559,113 0.951,114 -5.59,115 -5.46,116 -5.1,121 46,122 1,123 3,127 2,144 14,145 3,146 2,147 1,148 1,159 1,160 1,176 16,180 6,183 1,185 3,187 16,189 4,192 6,197 4,200 10,203 4,206 8,209 1,211 4,214 12,216 2,219 3,227 18,231 2,232 3,234 1,235 1,239 22,244 2,251 15,256 8,261 1,264 6,266 2,269 6,274 1,279 2,281 2248,282 23.311,283 23.311,284 23.311,285 23.311,286 23.311,287 20.313,288 20.083,289 14.2,290 23.539,291 18.287,292 18.287,293 18.287,294 18.287,295 18.287,296 13.807,297 21.748,298 6.731,299 18.655,300 4.58,301 2.679,302 1.497,303 0.564,304 0.361,305 0.361,306 4.259,312 1,313 1185,314 4.062,318 477.223,322 185.489,325 2.64,326 28.174,329 0.75,330 0.67,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.79,337 72,338 548,339 4.493,340 3.619,341 6.505,342 3.997,343 3.03,344 4.43,345 1.277,346 10.194,347 2.991,348 4.347,349 3.525,350 6.425,351 3.994,352 3,353 3.949,354 1.058,355 9.841,356 2.924,357 4.158,358 3.069,359 6.019,360 3.779,361 2.775,362 3.749,363 0.86,364 8.544,365 2.785,366 3.723,367 2.872,368 5.317,369 3.349,370 2.398,371 3.064,373 6.868,374 2.267,375 3.514,376 2.607,377 5.203,378 3.102,379 2.142,380 2.908,382 6.251,383 2.049,384 3.355,385 2.225,386 4.917,387 2.968,388 1.953,389 2.586,391 5.347,392 1.971,393 3.118,394 2.055,395 4.179,396 2.705,397 1.721,398 2.427,400 3.843,401 1.688,402 2.974,403 1.736,404 4.1,405 2.614,406 1.618,407 2.137,409 3.638,410 1.612,411 2.802,412 1.618,413 3.785,414 2.515,415 1.527,416 1.909,418 3.442,419 1.503,420 2.764,421 1.538,422 3.679,423 2.277,424 1.289,425 1.814,427 2.926,428 1.27,429 2.695,430 1.353,431 3.593,432 2.237,433 1.242,434 1.697,436 2.836,437 1.228,438 2.532,439 1.312,440 3.466,441 2.094,442 1.103,443 1.5,445 2.469,446 1.087,447 2.5,448 1.258,449 3.414,450 2.028,451 1,452 1.475,454 2.304,455 1.024,456 2.408,457 1,458 3.406,459 2,460 1,461 1.378,463 2.275,464 1,465 2.098,466 0.953,467 3.178,468 1.8,469 0.83,470 1.032,472 1.868,473 0.801,474 16.3,475 0.479,476 0.644,477 0.019,478 45.75,479 1.346,480 25,481 0.735,482 20.75,483 0.61,484 26.964,485 0.793,486 35.6,487 0.565,488 35.013,489 1.03,490 9.11,491 0.268,492 7.504,493 0.221,494 0.072,496 0.27,501 0.701,502 1.181,503 0.812,504 1.041,505 0.557,506 0.953,507 0.862,508 1.166,509 0.937,510 1.072,511 0.587,512 1.02,513 1.205,514 1.065,515 0.982,516 0.967,517 0.973,518 0.947,519 1.192,520 1.092,521 1.111,522 1.065,523 1.02,524 1.07,525 1.162,526 0.962,527 1.095,528 1.011,529 1.219,530 1.035,531 0.64,532 0.848,533 0.921,534 0.938,535 0.732,536 0.965,537 0.84,538 1.041,539 1.002,540 1.094,541 0.906,542 1.079,543 1.054,544 1.111,545 1.051,546 1.134,547 0.983,548 1.102,549 5,550 0.124,551 3.556,552 1.813,553 1.4,554 0.944,555 0.425,556 0.288,557 0.25,558 0.198,559 21407,560 51502,561 2.095,562 46,563 2,564 18,566 1,567 1,568 3,569 4,572 1.75,573 2,574 3.907,575 -0.45,582 88.051,583 1.398,584 3.298,585 4.48,586 5.414,587 5.616,588 5.616,589 3.319,590 4.676,591 5.064,592 4.182,593 2346.19,594 8.816,595 40783.3,600 376.569,601 1.223,602 5.037,603 0.135,604 0.005,605 0.073,606 0.036,607 0.031,608 0.024,609 0.012,610 0.009,611 0.009,612 0.008,613 0.34,614 0.33,615 0.88,616 0.608,617 190.049,618 -0.007,619 -0.076,620 0.048,621 -0.019,622 -0.028,623 0.014,624 0.025,625 -0.098,626 -0.017,627 -0.078,628 0.048,629 -0.058,630 -0.094,631 -0.043,632 0.003,633 0.005,634 -0.018,635 0.013,636 -0.071,637 -0.066,638 -0.121,639 -0.103,640 -0.001,641 -0.114,642 -0.111,643 0.018,644 -0.095,645 -0.037,646 -0.084,647 -0.056,648 0.297,649 0.088,650 0.077,651 0.057,652 0.235,653 0.042,654 -0.013,655 -0.103,656 -0.032,657 -0.086,658 -0.037,659 -0.066,660 -0.03,661 -0.163,662 -0.052,663 -0.148,664 -0.049,665 -0.11,666 1.925,667 5.566,668 0.647,669 44.471,670 0.994,671 1.115,672 4.361,673 19.015,674 0.677,675 3.638,676 3.912,677 4.159,678 4.369,679 4.554,680 4.511,681 4.533,682 4.533,683 4.595,684 4.575,685 9.824,686 0.64,687 453.6,688 3.638,689 5.153,690 5.984,691 6.834,692 7.679,693 8.534,694 9.384,695 10.24,696 11.092,697 11.95,698 3.2,705 1,708 1,714 2,715 15,720 4,721 1,722 23,727 1,729 1,739 1,741 63,743 25,744 3,745 37,747 66,748 29,749 21,750 6,751 12,752 2,756 4,757 5,763 1,770 3,772 23,773 6,777 2,782 2,786 2,793 29,794 4,795 1,796 5,802 2,803 1,808 0.75,809 3,822 1,829 4,833 1,859 3,864 1,868 34,876 5,877 1,878 1,893 4.8,896 2,898 1,901 17,902 11.5,903 7.639,904 3.965,907 4.442,908 1.562,909 0.989,910 8.057,911 12.344,912 3.942,913 4.516,914 5.097,915 5.65,916 6.175,917 6.3,918 6.567,919 6.774,920 7.068,921 6.938,922 1,923 51,924 12.591,926 5.26,927 0.026,929 7.701,931 24.223,933 19.585,936 2.201,937 74.833,941 329.591,942 193.768,943 19.91,945 61.29,948 193.768,949 390.881,950 19.91,951 8.825,952 32.312,953 132.667,954 73.798,955 39.136,957 317.82,959 329.591,960 213.678,961 61.29,964 282.506,965 108.374,968 52.329,969 159.45,970 1.899,972 329.591,973 81.2,974 193.768,977 329.591,978 43.228,979 152.439,980 18.011,981 61.29,982 329.591,983 81.2,984 193.768,986 0.568,987 0.331,988 0.18,989 0.096,990 21,991 9,992 0.152,993 10,994 1,995 1.091,996 4.749,997 290.826,998 0.091,999 22,1000 166.974,1005 23.658,1006 11.579,1007 6.312,1008 2.517,1009 79.3,1010 28.882,1015 2.263,1016 2.3,1017 18.011,1018 604.559,1019 50.5,1024 24.316,1028 -0.346,1031 62.614,1032 70.23,1034 0.234,1035 0.552,1036 0.75,1037 0.906,1038 0.94,1039 0.94,1040 5.14,1041 1.618,1042 5.932,1043 3.843,1044 4.595,1045 5.204,1046 2.077,1047 6.691,1048 4.559,1049 6.327,1050 1.527,1051 7.456,1052 3.638,1053 4.007,1054 4.89,1056 7.519,1057 3.964,1058 7.615,1059 1.289,1060 9.087,1061 3.442,1062 6.129,1063 7.396,1064 2.296,1065 10.611,1066 6.055,1067 8.942,1068 1.242,1069 10.784,1070 2.926,1071 6.415,1072 7.963,1074 12.318,1075 6.334,1076 10.304,1077 1.103,1078 12.525,1079 2.836,1080 7.954,1081 9.904,1082 2.589,1083 14.897,1084 7.849,1085 11.692,1086 1,1087 14.296,1088 2.469,1089 8.66,1090 10.903,1092 16.948,1093 8.547,1094 13.1,1095 1,1096 16.088,1097 2.304,1098 9.946,1099 12.59,1100 2.941,1101 19.351,1102 9.813,1103 3.03,1104 0.83,1105 17.895,1106 2.275,1107 10.856,1108 13.813,1110 21.544,1111 10.713,1112 3,1113 10.194,1114 19.713,1115 1.868,1116 12.029,1117 15.379,1118 3.337,1119 23.883,1120 11.869,1121 2.775,1122 9.841,1123 21.539,1124 4.43,1125 13.036,1126 16.719,1128 26.136,1129 12.863,1130 2.398,1131 8.544,1132 23.372,1133 3.949,1134 14.162,1135 18.23,1136 3.763,1137 28.452,1138 13.973,1139 2.142,1140 6.868,1141 25.21,1142 3.749,1143 15.215,1144 19.631,1146 30.732,1147 15.011,1148 1.953,1149 6.251,1150 27.052,1151 3.064,1152 16.321,1153 21.117,1154 4.21,1155 33.04,1156 16.101,1157 1.721,1158 5.347,1159 28.897,1160 2.908,1161 17.396,1162 22.552,1164 35.334,1165 17.16,1166 20110,1167 31384,1168 25.137,1169 42.654,1170 54.31,1171 56.006,1172 55.241,1173 53.924,1174 53.945,1175 72.887,1176 6.392,1177 146.838,1178 53.044,1179 5.424,1180 5.619,1181 6.33,1182 5.054,1183 5.03,1184 7.43,1185 2.555,1186 16.969,1187 4.991,1188 14.101,1189 1.468,1190 1.514,1191 1.493,1192 1.457,1193 1.458,1194 1.97,1195 0.173,1196 3.969,1197 1.434,1198 4.115,1199 4.151,1200 4.066,1201 4.028,1202 7.431,1203 4.032,1204 3.982,1205 4.005,1206 3.934,1207 3.898,1208 7.426,1209 3.902,1210 3.883,1211 3.904,1212 3.827,1213 3.816,1214 4.928,1215 3.815,1216 3.696,1217 3.755,1218 3.547,1219 3.569,1220 4.834,1221 3.554,1222 3.494,1223 3.548,1224 3.387,1225 3.371,1226 4.717,1227 3.364,1228 3.418,1229 3.462,1230 3.309,1231 3.236,1232 4.366,1233 3.242,1234 3.352,1235 3.391,1236 3.266,1237 3.163,1238 4.314,1239 3.178,1240 3.25,1241 3.307,1242 3.112,1243 3.059,1244 4.042,1245 3.074,1246 0.121,1247 0.098,1248 0.176,1249 0.108,1250 0.082,1251 4.493,1252 0.12,1253 3.619,1254 0.035,1255 6.505,1256 0.276,1257 3.997,1258 0.081,1259 3.03,1260 4.43,1261 1.277,1262 10.194,1263 2.991,1264 2.07,1265 2.04,1266 2.162,1267 2.18,1268 1.373,1269 2.177,1270 1.936,1271 1.915,1272 2.033,1273 2.042,1274 1.237,1275 2.039,1276 1.874,1277 1.854,1278 1.991,1279 1.97,1280 1.12,1281 1.976,1282 1.709,1283 1.65,1284 1.943,1285 1.865,1286 1.063,1287 1.895,1288 1.487,1289 1.436,1290 1.694,1291 1.653,1292 0.916,1293 1.669,1294 1.383,1295 1.334,1296 1.663,1297 1.604,1298 0.689,1299 1.621,1300 1.312,1301 1.258,1302 1.578,1303 1.515,1304 0.669,1305 1.531,1306 1.182,1307 1.141,1308 1.329,1309 1.43,1310 0.458,1311 1.41,1312 4.317,1314 5.602,1316 7.088,1318 8.667,1320 10.295,1322 1.486,1328 4.75,1329 2.816,1330 5.849,1340 40.299,1341 88.051,1342 207.802,1343 282.246,1344 341.059,1345 353.814,1346 353.814,1347 64.405,1348 7.901,1349 59.28,1350 59.28,1351 24,1352 12.503,1353 4.7,1354 3.858,1355 57.628,1356 206,1357 156,1358 0.131,1359 248.36,1360 432.59,1361 597.757,1362 39729,1364 23.753,1365 0.699,1366 0.571,1367 23.753,1368 19.421,1369 16.614,1370 0.449,1371 0.317,1372 11.617,1373 16.173,1374 11.344,1375 9.455,1376 16.614,1377 11.725,1378 14.337,1379 0.293,1380 0.171,1381 14.337,1382 8.378,1383 11.855,1384 0.188,1385 0.094,1386 11.855,1387 5.91,1388 9.746,1389 0.125,1390 0.052,1391 9.746,1392 4.091,1393 7.738,1394 0.082,1395 0.029,1396 7.738,1397 2.758,1398 0.221,1399 102.731,1400 0.199,1401 32.803,1402 0.326,1403 172,1404 463.872,1405 184.329,1406 451.877,1407 618.31,1408 424,1409 198,1410 451.516,1411 210.139,1412 458.634,1413 664.71,1414 434,1415 8.189}
{0 CHEMBL2159663,1 1.425,2 15.133,3 4.037,4 16.298,5 117.918,6 7.08,7 0.563,8 4.106,9 4.223,10 3.623,11 3.666,12 5.198,13 3.63,14 4.623,15 4.794,16 3.912,17 4.014,18 5.682,19 3.951,20 4.893,21 5.11,22 3.948,23 4.117,24 5.917,25 4.029,26 4.892,27 5.119,28 3.86,29 4.065,30 5.943,31 3.961,32 4.884,33 5.128,34 3.766,35 4.029,36 5.893,37 3.912,38 4.806,39 5.05,40 3.734,41 3.982,42 5.907,43 3.853,44 4.69,45 4.918,46 3.625,47 3.919,48 5.665,49 3.791,50 4.662,51 4.901,52 3.526,53 3.8,54 5.643,55 3.673,56 0.026,57 0.763,58 11.966,59 5.42,60 7.072,61 7.137,62 0.174,63 1.215,64 21.695,65 8.753,66 22.283,67 11.799,68 0.29,69 1.491,70 30.321,71 11.178,72 47.027,73 15.201,74 0.343,75 1.473,76 30.639,77 11.054,78 53.347,79 15.167,80 0.332,81 1.424,82 30.879,83 11.183,84 56.141,85 15.342,86 0.551,87 1.296,88 28.606,89 10.953,90 80.48,91 15.147,92 0.179,93 1.181,94 24.589,95 10.011,96 40.231,97 13.602,98 0.219,99 1.13,100 24.504,101 9.203,102 43.921,103 12.568,104 11,105 41,106 0.233,107 0.537,108 0.723,109 0.842,110 0.864,111 0.864,112 3.439,113 0.967,114 -4.54,115 -4.46,116 -4.2,121 43.9,122 1,123 3,127 2,144 11,145 2,146 2,147 2,159 1,160 1,176 12,180 6,183 1,185 3,187 11,189 3,192 6,197 4,200 5,203 2,206 8,209 1,211 4,214 8,216 1,219 3,227 14,231 2,232 3,234 1,235 1,239 18,244 2,251 12,256 7,261 1,264 5,266 2,269 4,274 1,279 2,281 1604,282 20.449,283 20.449,284 20.449,285 20.449,286 20.449,287 17.987,288 20.083,289 12.662,290 20.686,291 15.822,292 15.822,293 15.822,294 15.822,295 15.822,296 12.178,297 21.748,298 6.049,299 16.195,300 4.408,301 2.544,302 1.4,303 0.671,304 0.54,305 0.54,306 4.126,311 1,312 1,313 959,314 3.937,318 359.908,325 2.6,326 26.381,329 1,330 0.83,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.85,337 64,338 454,339 4.347,340 3.619,341 6.425,342 3.997,343 3,344 3.949,345 1.277,346 9.841,347 2.991,348 4.158,349 3.525,350 6.019,351 3.779,352 2.775,353 3.749,354 1.058,355 8.544,356 2.785,357 3.896,358 2.873,359 5.34,360 3.451,361 2.522,362 3.444,363 0.86,364 6.965,365 2.344,366 3.723,367 2.628,368 5.317,369 3.348,370 2.397,371 3.064,373 6.868,374 2.267,375 3.355,376 2.607,377 4.917,378 2.968,379 1.954,380 2.586,382 5.347,383 1.972,384 2.979,385 2.058,386 4.101,387 2.752,388 1.762,389 2.139,391 3.664,392 1.742,393 2.955,394 1.769,395 3.812,396 2.529,397 1.544,398 2.118,400 3.499,401 1.514,402 2.767,403 1.561,404 3.682,405 2.451,406 1.471,407 1.795,409 3.097,410 1.438,411 2.667,412 1.538,413 3.591,414 2.225,415 1.222,416 1.665,418 2.891,419 1.215,420 2.532,421 1.312,422 3.466,423 2.028,424 1,425 1.5,427 2.304,428 1.024,429 2.5,430 1.228,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.5,439 1,440 3.247,441 1.984,442 1,443 1.475,445 2.172,446 0.983,447 2.142,448 1,449 3.228,450 1.966,451 1,452 1.111,454 2.136,455 0.958,456 1.493,457 0.581,458 2.796,459 1.297,460 0.359,461 0.394,463 0.798,464 0.334,465 1.287,466 0.517,467 2.618,468 0.922,469 -0.065,470 -0.08,472 -0.159,473 -0.064,474 14.3,475 0.477,476 0.541,477 0.018,478 39.25,479 1.308,480 21,481 0.7,482 18.25,483 0.608,484 22.956,485 0.765,486 32.2,487 0.565,488 29.219,489 0.974,490 7.885,491 0.263,492 6.746,493 0.225,494 0.082,496 0.238,501 0.71,502 1.261,503 0.833,504 1.104,505 0.555,506 1,507 0.886,508 1.183,509 0.968,510 1.102,511 0.591,512 1.05,513 1.211,514 1.065,515 1.009,516 0.995,517 1,518 0.975,519 1.182,520 1.073,521 1.074,522 1.053,523 1.049,524 1.045,525 1.215,526 0.906,527 1.035,528 0.941,529 1.285,530 0.956,531 0.681,532 0.811,533 0.889,534 0.901,535 0.775,536 0.925,537 0.889,538 1.065,539 1.004,540 1.114,541 0.954,542 1.088,543 1.13,544 1.093,545 1.055,546 1.106,547 1.035,548 1.08,549 4.5,550 0.07,551 2.667,552 1.313,553 1.076,554 0.854,555 0.365,556 0.245,557 0.242,558 0.172,559 14526,560 35423,561 2.051,562 47.4,563 2,564 15,566 2,567 1,568 3,569 4,572 1.719,573 1.957,574 3.833,575 -0.415,577 1,582 81.241,583 1.425,584 3.289,585 4.432,586 5.162,587 5.293,588 5.293,589 3.244,590 4.057,591 4.876,592 4.083,593 1775.9,594 8.452,595 27824.9,597 1,599 1,600 332.475,601 1.212,602 4.855,603 0.141,604 0.003,605 0.065,606 0.032,607 0.03,608 0.026,609 0.011,610 0.008,611 0.01,612 0.008,613 0.334,614 0.33,615 1,616 0.659,617 161.094,618 -0.01,619 -0.112,620 0.043,621 -0.043,622 -0.025,623 -0.002,624 0.013,625 -0.094,626 -0.034,627 -0.092,628 0.05,629 -0.073,630 -0.102,631 -0.055,632 -0.019,633 -0.019,634 -0.027,635 -0.01,636 -0.053,637 -0.069,638 -0.076,639 -0.09,640 0.008,641 -0.085,642 -0.111,643 0.064,644 -0.031,645 0.024,646 -0.079,647 0.015,648 0.314,649 0.128,650 0.101,651 0.091,652 0.253,653 0.07,654 -0.028,655 -0.116,656 -0.045,657 -0.099,658 -0.046,659 -0.08,660 -0.063,661 -0.144,662 -0.06,663 -0.126,664 -0.064,665 -0.098,666 1.923,667 5.484,668 0.6,669 39.796,670 0.995,671 1.12,672 3.31,673 10.959,674 0.665,675 3.497,676 3.738,677 3.932,678 4.094,679 4.248,680 4.174,681 4.174,682 4.159,683 4.234,684 4.317,685 9.023,686 0.628,687 403.54,688 3.497,689 4.99,690 5.796,691 6.624,692 7.445,693 8.278,694 9.105,695 9.942,696 10.772,697 11.611,698 3.5,705 1,708 1,715 13,720 4,721 1,722 18,727 1,729 1,739 1,741 57,743 20,744 2,745 32,747 59,748 25,749 17,750 4,751 8,752 2,756 3,757 3,763 1,770 3,772 19,773 6,777 2,782 2,786 2,790 1,793 27,794 4,795 1,796 5,802 2,803 1,808 1,809 3,822 1,829 3,859 3,864 1,868 30,876 5,877 1,878 1,893 5.3,896 2,898 1,901 15.333,902 10.333,903 6.833,904 3.562,907 3.136,908 1.434,909 0.963,910 8.164,911 10.365,912 3.784,913 4.297,914 4.794,915 5.27,916 5.736,917 5.696,918 5.859,919 5.933,920 6.208,921 6.544,922 0.9,923 41,924 11.107,926 4.563,927 0.026,929 7.75,931 21.26,933 16.794,936 2.25,937 67.5,939 1,940 1,941 306.049,942 169.67,943 19.91,945 61.29,948 169.67,949 367.338,950 19.91,951 8.825,952 32.312,953 104.239,954 85.569,955 43.466,957 282.506,959 306.049,960 189.58,961 61.29,964 258.964,965 108.374,968 59.232,969 128.448,970 1.899,972 306.049,973 81.2,974 169.67,977 306.049,978 38.511,979 133.058,980 18.011,981 61.29,982 306.049,983 81.2,984 169.67,986 0.561,987 0.317,988 0.166,989 0.087,990 16,991 7,992 0.169,993 10,995 1,996 4.411,997 235.418,999 18,1000 139.207,1005 21.728,1006 11.273,1007 6.804,1009 79.3,1010 24.29,1015 2.272,1016 2.18,1017 18.011,1018 556.918,1019 43,1024 24.183,1028 -0.342,1031 56.731,1032 63.815,1034 0.244,1035 0.564,1036 0.76,1037 0.885,1038 0.907,1039 0.907,1040 4.966,1041 1.471,1042 5.727,1043 3.499,1044 4.419,1045 4.984,1046 2.077,1047 6.435,1048 4.379,1049 6.129,1050 1.222,1051 7.22,1052 3.097,1053 3.761,1054 4.527,1056 7.159,1057 3.72,1058 7.391,1059 1,1060 8.819,1061 2.891,1062 5.905,1063 7.065,1064 2.296,1065 10.223,1066 5.826,1067 8.691,1068 1,1069 10.483,1070 2.304,1071 6.111,1072 7.443,1074 11.836,1075 6.043,1076 10.023,1077 1,1078 12.191,1079 2.275,1080 7.669,1081 9.426,1082 2.589,1083 14.38,1084 7.57,1085 11.38,1086 1,1087 13.93,1088 2.172,1089 8.299,1090 10.211,1092 16.356,1093 8.218,1094 12.755,1095 0.359,1096 15.691,1097 2.136,1098 9.59,1099 11.926,1100 2.941,1101 18.72,1102 9.488,1103 3,1104 -0.065,1105 17.468,1106 0.798,1107 10.436,1108 12.935,1110 20.854,1111 10.353,1112 2.775,1113 9.841,1114 19.258,1115 -0.159,1116 11.604,1117 14.502,1118 3.337,1119 23.156,1120 11.509,1121 2.522,1122 8.544,1123 21.057,1124 3.949,1125 12.562,1126 15.643,1128 25.362,1129 12.482,1130 2.397,1131 6.965,1132 22.864,1133 3.749,1134 13.673,1135 17.124,1136 3.763,1137 27.642,1138 13.589,1139 1.954,1140 6.868,1141 24.677,1142 3.444,1143 14.689,1144 18.346,1146 29.884,1147 14.615,1148 1.762,1149 5.347,1150 26.496,1151 3.064,1152 15.778,1153 19.775,1154 4.21,1155 32.159,1156 15.702,1157 1.544,1158 3.664,1159 28.319,1160 2.586,1161 16.823,1162 21.048,1164 34.418,1165 16.755,1166 14000,1167 22059,1168 21.553,1169 37.892,1170 46.404,1171 47.832,1172 47.068,1173 45.987,1174 46.011,1175 60.978,1176 6.392,1177 120.802,1178 45.13,1179 5.276,1180 5.619,1181 6.251,1182 5.051,1183 5,1184 6.949,1185 2.555,1186 16.481,1187 4.991,1188 12.824,1189 1.45,1190 1.495,1191 1.471,1192 1.437,1193 1.438,1194 1.906,1195 0.2,1196 3.775,1197 1.41,1198 3.999,1199 4.035,1200 3.944,1201 3.907,1202 7.431,1203 3.911,1204 3.942,1205 3.986,1206 3.869,1207 3.819,1208 7.426,1209 3.821,1210 3.882,1211 3.903,1212 3.827,1213 3.805,1214 4.844,1215 3.81,1216 3.659,1217 3.719,1218 3.506,1219 3.532,1220 4.795,1221 3.515,1222 3.419,1223 3.463,1224 3.316,1225 3.236,1226 4.717,1227 3.242,1228 3.364,1229 3.407,1230 3.273,1231 3.158,1232 4.318,1233 3.177,1234 3.246,1235 3.306,1236 3.095,1237 3.047,1238 4.029,1239 3.057,1240 2.925,1241 3.001,1242 2.782,1243 2.735,1244 3.904,1245 2.732,1246 0.136,1247 0.113,1248 0.201,1249 0.125,1250 0.094,1251 4.347,1252 0.123,1253 3.619,1254 0.04,1255 6.425,1256 0.308,1257 3.997,1258 0.093,1259 3,1260 3.949,1261 1.277,1262 9.841,1263 2.991,1264 1.937,1265 1.915,1266 2.062,1267 2.074,1268 1.346,1269 2.073,1270 1.906,1271 1.86,1272 2.031,1273 2.041,1274 1.122,1275 2.037,1276 1.873,1277 1.849,1278 1.982,1279 1.967,1280 1.089,1281 1.972,1282 1.674,1283 1.616,1284 1.908,1285 1.833,1286 1.05,1287 1.863,1288 1.383,1289 1.334,1290 1.663,1291 1.606,1292 0.84,1293 1.622,1294 1.317,1295 1.26,1296 1.605,1297 1.545,1298 0.689,1299 1.561,1300 1.178,1301 1.134,1302 1.326,1303 1.432,1304 0.442,1305 1.409,1306 0.891,1307 0.821,1308 1.224,1309 1.164,1310 0.312,1311 1.187,1312 4.174,1314 5.434,1316 6.884,1318 8.421,1320 10.001,1322 1.484,1328 4.85,1329 2.805,1330 5.779,1340 35.772,1341 81.241,1342 187.455,1343 252.647,1344 294.21,1345 301.72,1346 301.72,1347 62.036,1348 7.229,1349 59.28,1350 59.28,1351 18,1352 12.179,1353 4.392,1354 3.585,1355 55.974,1356 166,1357 156,1358 0.162,1359 223.238,1360 391.93,1361 536.462,1362 15953,1364 21.184,1365 0.706,1366 0.576,1367 21.184,1368 17.266,1369 14.631,1370 0.457,1371 0.322,1372 10.205,1373 14.183,1374 9.967,1375 8.334,1376 14.631,1377 10.314,1378 12.442,1379 0.303,1380 0.176,1381 12.442,1382 7.225,1383 9.894,1384 0.198,1385 0.098,1386 9.894,1387 4.892,1388 7.818,1389 0.133,1390 0.055,1391 7.818,1392 3.239,1393 6.019,1394 0.087,1395 0.031,1396 6.019,1397 2.108,1398 0.269,1399 90.87,1400 0.215,1401 29.682,1402 0.403,1403 146,1404 413.872,1405 157.996,1406 399.684,1407 538.95,1408 374,1409 164,1410 386.234,1411 175.639,1412 390.964,1413 561.8,1414 369,1415 7.092}
{0 CHEMBL2159664,1 1.409,2 15.935,3 4.493,4 20.19,5 122.519,6 6.959,7 0.545,8 4.152,9 4.272,10 3.654,11 3.71,12 5.227,13 3.669,14 4.677,15 4.852,16 3.939,17 4.061,18 5.713,19 3.991,20 4.953,21 5.178,22 3.974,23 4.166,24 5.949,25 4.07,26 4.952,27 5.186,28 3.889,29 4.117,30 5.974,31 4.005,32 4.945,33 5.195,34 3.797,35 4.083,36 5.926,37 3.957,38 4.872,39 5.122,40 3.765,41 4.035,42 5.937,43 3.9,44 4.769,45 5.007,46 3.655,47 3.98,48 5.709,49 3.844,50 4.716,51 4.955,52 3.563,53 3.887,54 5.671,55 3.746,56 0.033,57 0.803,58 12.868,59 5.771,60 7.711,61 7.679,62 0.185,63 1.281,64 23.276,65 9.353,66 23.691,67 12.744,68 0.304,69 1.576,70 32.463,71 11.956,72 48.833,73 16.467,74 0.358,75 1.556,76 32.745,77 11.821,78 55.337,79 16.411,80 0.342,81 1.506,82 32.871,83 11.939,84 57.325,85 16.554,86 0.512,87 1.381,88 30.529,89 11.683,90 81.904,91 16.262,92 0.294,93 1.272,94 27.057,95 10.64,96 43.539,97 14.621,98 0.188,99 1.204,100 25.553,101 10.021,102 41.993,103 13.821,104 11,105 42,106 0.228,107 0.527,108 0.711,109 0.835,110 0.866,111 0.866,112 3.47,113 0.983,114 -4.74,115 -4.66,116 -4.38,121 43.3,122 1,123 4,127 2,144 11,145 2,146 2,147 2,159 1,160 1,176 13,180 6,183 1,185 3,187 12,189 3,192 6,197 4,200 6,203 2,206 8,209 1,211 4,214 8,216 1,219 4,227 14,229 1,231 2,232 3,235 1,239 18,244 2,246 1,251 16,256 5,261 1,264 8,269 5,274 1,277 1,279 2,281 1835,282 21.156,283 21.156,284 21.156,285 21.156,286 21.156,287 18.694,288 20.083,289 13.162,290 21.393,291 16.322,292 16.322,293 16.322,294 16.322,295 16.322,296 12.678,297 21.748,298 6.299,299 16.695,300 4.497,301 2.646,302 1.505,303 0.738,304 0.546,305 0.546,306 4.157,311 1,312 1,313 1043,314 4.062,318 377.345,325 2.72,326 26.644,329 1,330 0.83,331 0.83,332 0.8,333 0.5,334 0.83,335 0.5,336 0.76,337 66,338 494,339 4.347,340 3.619,341 6.425,342 3.997,343 3,344 3.949,345 1.277,346 9.841,347 2.991,348 4.158,349 3.525,350 6.019,351 3.779,352 2.775,353 3.749,354 1.058,355 8.544,356 2.785,357 3.896,358 2.872,359 5.34,360 3.451,361 2.522,362 3.444,363 0.86,364 6.965,365 2.344,366 3.723,367 2.628,368 5.317,369 3.348,370 2.398,371 3.064,373 6.868,374 2.267,375 3.355,376 2.607,377 4.917,378 2.969,379 1.954,380 2.586,382 5.347,383 1.972,384 2.98,385 2.061,386 4.101,387 2.805,388 1.811,389 2.138,391 3.711,392 1.798,393 2.959,394 1.808,395 3.848,396 2.543,397 1.56,398 2.12,400 3.545,401 1.527,402 2.796,403 1.595,404 3.684,405 2.489,406 1.503,407 1.824,409 3.166,410 1.478,411 2.704,412 1.538,413 3.626,414 2.259,415 1.275,416 1.707,418 2.913,419 1.245,420 2.532,421 1.359,422 3.466,423 2.126,424 1.129,425 1.5,427 2.504,428 1.118,429 2.5,430 1.312,431 3.414,432 2.028,433 1,434 1.5,436 2.304,437 1.024,438 2.5,439 1,440 3.349,441 2,442 1,443 1.475,445 2.275,446 1,447 2.311,448 1,449 3.247,450 1.984,451 1,452 1.293,454 2.136,455 0.983,456 1.734,457 0.814,458 2.925,459 1.571,460 0.624,461 0.676,463 1.351,464 0.585,465 1.291,466 0.547,467 2.689,468 1.012,469 0.058,470 0.065,472 0.132,473 0.055,474 14.8,475 0.477,476 0.541,477 0.017,478 39.75,479 1.282,480 21,481 0.677,482 18.75,483 0.605,484 24.714,485 0.797,486 33.5,487 0.558,488 29.514,489 0.952,490 7.885,491 0.254,492 7.246,493 0.234,494 0.079,496 0.23,501 0.71,502 1.269,503 0.852,504 1.119,505 0.553,506 1.018,507 0.878,508 1.195,509 0.982,510 1.119,511 0.584,512 1.068,513 1.187,514 1.058,515 0.997,516 0.991,517 0.978,518 0.971,519 1.158,520 1.065,521 1.058,522 1.045,523 1.025,524 1.036,525 1.19,526 0.907,527 1.022,528 0.941,529 1.255,530 0.953,531 0.717,532 0.858,533 0.886,534 0.92,535 0.761,536 0.929,537 0.951,538 0.936,539 1.023,540 1.003,541 0.96,542 1.026,543 0.939,544 1.133,545 1.059,546 1.179,547 0.989,548 1.145,549 4.5,550 0.111,551 2.667,552 1.313,553 1.076,554 0.854,555 0.365,556 0.276,557 0.192,558 0.172,559 16267,560 38774,561 2.05,562 48.3,563 4,564 15,566 2,567 1,568 3,569 4,572 1.726,573 1.958,574 3.901,575 -0.425,577 1,582 84.566,583 1.409,584 3.261,585 4.402,586 5.169,587 5.361,588 5.361,589 3.345,590 4.503,591 4.923,592 4.158,593 1933.33,594 8.543,595 31540,597 1,600 354.413,601 1.191,602 4.904,603 0.136,604 0.005,605 0.063,606 0.031,607 0.029,608 0.025,609 0.011,610 0.009,611 0.007,612 0.008,613 0.326,614 0.33,615 0.88,616 0.646,617 169.004,618 -0.006,619 -0.108,620 0.043,621 -0.041,622 -0.018,623 -0.001,624 0.018,625 -0.102,626 -0.038,627 -0.099,628 0.056,629 -0.08,630 -0.088,631 -0.05,632 -0.005,633 -0.013,634 -0.014,636 -0.041,637 -0.064,638 -0.059,639 -0.08,640 0.021,641 -0.072,642 -0.099,643 0.062,644 -0.02,645 0.025,646 -0.065,647 0.019,648 0.261,649 0.081,650 0.101,651 0.071,652 0.25,653 0.066,654 -0.019,655 0.024,656 -0.05,657 -0.001,658 -0.058,659 -0.027,660 -0.026,661 -0.176,662 -0.088,663 -0.181,664 -0.055,665 -0.148,666 1.92,667 5.499,668 0.581,669 42.986,670 0.994,671 1.121,672 3.515,673 12.354,674 0.661,675 3.526,676 3.761,677 3.951,678 4.111,679 4.263,680 4.19,681 4.19,682 4.174,683 4.234,684 4.317,685 9.489,686 0.622,687 417.57,688 3.526,689 5.017,690 5.82,691 6.645,692 7.463,693 8.294,694 9.119,695 9.954,696 10.783,697 11.621,698 3.3,705 1,708 1,715 13,720 4,721 1,722 18,727 1,729 1,739 1,741 60,743 20,744 2,745 33,747 62,748 26,749 17,750 4,751 8,752 2,756 3,757 3,763 1,770 4,772 19,773 7,777 2,782 2,786 2,790 1,793 29,794 4,795 1,796 5,802 2,803 1,808 1,809 3,822 1,829 3,859 3,864 1,868 31,876 6,877 1,878 1,893 5,896 2,898 1,901 15.833,902 10.833,903 7.083,904 3.812,907 3.107,908 1.427,909 0.96,910 8.803,911 10.385,912 3.807,913 4.311,914 4.802,915 5.275,916 5.739,917 5.699,918 5.862,919 5.935,920 6.202,921 6.531,922 1,923 42,924 11.486,926 4.706,927 0.026,929 7.726,931 22.076,933 17.461,936 2.226,937 69,940 1,941 329.591,942 172.204,943 19.91,945 61.29,948 172.204,949 390.881,950 19.91,951 8.825,952 34.847,953 104.239,954 85.569,955 43.466,957 306.049,959 329.591,960 192.114,961 61.29,964 282.506,965 108.374,968 61.767,969 128.448,970 1.899,972 329.591,973 81.2,974 172.204,977 329.591,978 41.046,979 133.058,980 18.011,981 61.29,982 329.591,983 81.2,984 172.204,986 0.559,987 0.315,988 0.164,989 0.086,990 16,991 7,992 0.177,993 11,995 1,996 4.531,997 243.731,999 18,1000 145.58,1005 22.705,1006 12.02,1007 7.339,1009 79.3,1010 24.387,1015 2.286,1016 2.201,1017 18.011,1018 582.995,1019 44,1024 24.207,1028 -0.338,1031 59.614,1032 67.23,1034 0.239,1035 0.552,1036 0.745,1037 0.875,1038 0.908,1039 0.908,1040 4.987,1041 1.503,1042 5.746,1043 3.545,1044 4.443,1045 4.997,1046 2.077,1047 6.447,1048 4.403,1049 6.144,1050 1.275,1051 7.235,1052 3.166,1053 3.761,1054 4.527,1056 7.159,1057 3.72,1058 7.403,1059 1.129,1060 8.829,1061 2.913,1062 5.922,1063 7.071,1064 2.296,1065 10.226,1066 5.844,1067 8.699,1068 1,1069 10.49,1070 2.504,1071 6.111,1072 7.443,1074 11.836,1075 6.043,1076 10.03,1077 1,1078 12.196,1079 2.304,1080 7.678,1081 9.428,1082 2.589,1083 14.381,1084 7.58,1085 11.384,1086 1,1087 13.933,1088 2.275,1089 8.299,1090 10.211,1092 16.356,1093 8.218,1094 12.758,1095 0.624,1096 15.693,1097 2.136,1098 9.595,1099 11.927,1100 2.941,1101 18.72,1102 9.493,1103 3,1104 0.058,1105 17.469,1106 1.351,1107 10.436,1108 12.935,1110 20.854,1111 10.353,1112 2.775,1113 9.841,1114 19.259,1115 0.132,1116 11.606,1117 14.502,1118 3.337,1119 23.156,1120 11.511,1121 2.522,1122 8.544,1123 21.058,1124 3.949,1125 12.562,1126 15.643,1128 25.362,1129 12.482,1130 2.398,1131 6.965,1132 22.864,1133 3.749,1134 13.674,1135 17.124,1136 3.763,1137 27.642,1138 13.59,1139 1.954,1140 6.868,1141 24.678,1142 3.444,1143 14.689,1144 18.346,1146 29.884,1147 14.615,1148 1.811,1149 5.347,1150 26.496,1151 3.064,1152 15.778,1153 19.775,1154 4.21,1155 32.159,1156 15.703,1157 1.56,1158 3.711,1159 28.319,1160 2.586,1161 16.823,1162 21.048,1164 34.418,1165 16.755,1166 15673,1167 24423,1168 22.246,1169 39.654,1170 47.659,1171 49.04,1172 48.37,1173 47.175,1174 47.219,1175 62.18,1176 6.392,1177 123.203,1178 46.342,1179 5.287,1180 5.619,1181 6.289,1182 5.05,1183 5,1184 6.949,1185 2.555,1186 16.481,1187 4.991,1188 13.176,1189 1.444,1190 1.486,1191 1.466,1192 1.43,1193 1.431,1194 1.884,1195 0.194,1196 3.733,1197 1.404,1198 4,1199 4.036,1200 3.944,1201 3.907,1202 7.431,1203 3.911,1204 3.943,1205 3.987,1206 3.87,1207 3.819,1208 7.426,1209 3.821,1210 3.883,1211 3.904,1212 3.827,1213 3.807,1214 4.843,1215 3.811,1216 3.697,1217 3.757,1218 3.542,1219 3.575,1220 4.796,1221 3.557,1222 3.432,1223 3.484,1224 3.329,1225 3.249,1226 4.717,1227 3.248,1228 3.409,1229 3.458,1230 3.286,1231 3.235,1232 4.32,1233 3.238,1234 3.292,1235 3.335,1236 3.172,1237 3.08,1238 4.074,1239 3.109,1240 3.038,1241 3.119,1242 2.87,1243 2.817,1244 3.909,1245 2.817,1246 0.132,1247 0.11,1248 0.195,1249 0.121,1250 0.091,1251 4.347,1252 0.12,1253 3.619,1254 0.039,1255 6.425,1256 0.298,1257 3.997,1258 0.091,1259 3,1260 3.949,1261 1.277,1262 9.841,1263 2.991,1264 1.937,1265 1.915,1266 2.067,1267 2.074,1268 1.374,1269 2.074,1270 1.907,1271 1.859,1272 2.032,1273 2.042,1274 1.141,1275 2.038,1276 1.873,1277 1.851,1278 1.986,1279 1.969,1280 1.118,1281 1.975,1282 1.713,1283 1.655,1284 1.939,1285 1.868,1286 1.059,1287 1.897,1288 1.415,1289 1.352,1290 1.699,1291 1.623,1292 0.927,1293 1.647,1294 1.382,1295 1.333,1296 1.663,1297 1.601,1298 0.689,1299 1.621,1300 1.195,1301 1.162,1302 1.383,1303 1.454,1304 0.609,1305 1.425,1306 1.018,1307 0.936,1308 1.309,1309 1.281,1310 0.321,1311 1.307,1312 4.205,1314 5.46,1316 6.905,1318 8.436,1320 10.013,1322 1.485,1328 6.169,1329 2.809,1330 5.793,1340 37.299,1341 84.566,1342 195.651,1343 264.095,1344 310.149,1345 321.659,1346 321.659,1347 65.872,1348 7.278,1349 59.28,1350 59.28,1351 18,1352 12.19,1353 4.392,1354 3.585,1355 58.973,1356 179,1357 171,1358 0.156,1359 232.831,1360 409.23,1361 559.867,1362 17377,1364 21.891,1365 0.706,1366 0.58,1367 21.891,1368 17.973,1369 15.131,1370 0.459,1371 0.328,1372 10.705,1373 14.683,1374 10.457,1375 8.751,1376 15.131,1377 10.814,1378 12.795,1379 0.305,1380 0.18,1381 12.795,1382 7.579,1383 10.144,1384 0.199,1385 0.101,1386 10.144,1387 5.142,1388 7.995,1389 0.133,1390 0.057,1391 7.995,1392 3.416,1393 6.144,1394 0.088,1395 0.032,1396 6.144,1397 2.233,1398 0.261,1399 93.87,1400 0.212,1401 30.635,1402 0.385,1403 150,1404 417.872,1405 161.996,1406 403.846,1407 544.71,1408 378,1409 168,1410 390.234,1411 179.639,1412 395.125,1413 567.56,1414 373,1415 7.328}
{0 CHEMBL2160220,1 1.255,2 20.229,3 10.881,4 118.401,5 195.796,6 7.1,7 0.704,8 4.562,9 4.667,10 4.104,11 4.201,12 5.598,13 4.153,14 5.1,15 5.257,16 4.445,17 4.601,18 6.07,19 4.532,20 5.379,21 5.581,22 4.538,23 4.749,24 6.295,25 4.653,26 5.461,27 5.68,28 4.555,29 4.758,30 6.416,31 4.66,32 5.445,33 5.652,34 4.581,35 4.784,36 6.45,37 4.691,38 5.498,39 5.706,40 4.588,41 4.829,42 6.492,43 4.724,44 5.509,45 5.728,46 4.542,47 4.828,48 6.412,49 4.709,50 5.478,51 5.706,52 4.436,53 4.771,54 6.354,55 4.635,56 0.065,57 1.072,58 18.41,59 8.72,60 12.603,61 11.471,62 0.209,63 1.865,64 33.862,65 14.745,66 25.977,67 19.531,68 0.303,69 2.425,70 47.223,71 20.309,72 41.92,73 27.162,74 0.513,75 2.627,76 52.894,77 21.776,78 64.352,79 29.056,80 0.383,81 2.581,82 51.182,83 21.47,84 67.905,85 28.468,86 0.529,87 2.704,88 54.254,89 22.828,90 81.764,91 30.271,92 0.387,93 2.747,94 54.847,95 23.473,96 62.929,97 31.478,98 0.538,99 2.667,100 53.701,101 22.878,102 64.768,103 30.999,104 5,105 74,106 0.183,107 0.446,108 0.623,109 0.775,110 0.84,111 0.853,112 3.894,113 0.949,114 -8.3,115 -8.04,116 -7.4,121 49.4,123 5,126 1,127 3,144 22,145 9,146 1,154 2,159 1,176 35,180 11,187 42,192 13,200 38,205 1,206 15,214 33,219 14,227 42,231 1,232 12,239 50,244 6,251 51,255 2,256 6,264 48,269 5,277 33,281 6320,282 33.518,283 33.518,284 33.518,285 33.518,286 33.518,287 29.097,288 15.328,289 20.425,290 33.738,291 26.775,292 26.775,293 26.775,294 26.775,295 26.775,296 20.137,297 17.692,298 9.821,299 27.107,300 5.221,301 3.426,302 2.213,303 1.169,304 0.723,305 0.638,306 4.618,313 2181,314 4.583,317 113.775,318 818.702,321 219.552,322 370.651,325 2.951,326 29.755,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.49,337 99.5,338 971,339 4.812,340 3.707,341 7.154,342 4.407,343 3.399,344 4.793,345 0.916,346 12.507,347 3.424,348 4.632,349 3.173,350 6.828,351 4.17,352 3.17,353 4.609,354 0.86,355 11.343,356 3.17,357 4.072,358 2.943,359 5.994,360 3.648,361 2.665,362 3.798,363 0.172,364 8.449,365 2.625,366 4.032,367 2.935,368 5.982,369 3.597,370 2.625,371 3.704,373 8.37,374 2.559,375 3.927,376 2.858,377 5.801,378 3.532,379 2.532,380 3.455,382 7.788,383 2.532,384 3.856,385 2.532,386 5.484,387 3.44,388 2.426,389 3.348,391 7.392,392 2.46,393 3.656,394 2.504,395 5.352,396 3.278,397 2.318,398 3.056,400 6.9,401 2.208,402 3.331,403 2.367,404 5.217,405 3.117,406 2.166,407 2.678,409 6.01,410 2.055,411 3.294,412 1.965,413 4.819,414 2.879,415 1.882,416 2.364,418 5.518,419 1.875,420 3.032,421 1.898,422 4.485,423 2.805,424 1.815,425 2.285,427 4.224,428 1.793,429 3.023,430 1.736,431 4.403,432 2.543,433 1.552,434 2.279,436 3.745,437 1.537,438 2.88,439 1.619,440 4.116,441 2.527,442 1.525,443 2.021,445 3.647,446 1.527,447 2.85,448 1.53,449 3.86,450 2.456,451 1.463,452 1.975,454 3.329,455 1.451,456 2.847,457 1.511,458 3.73,459 2.347,460 1.351,461 1.968,463 3.093,464 1.347,465 2.796,466 1.469,467 3.614,468 2.343,469 1.347,470 1.87,472 3.063,473 1.345,474 23.4,475 0.488,476 0.863,477 0.018,478 65,479 1.354,480 36,481 0.75,482 29,483 0.604,484 45.416,485 0.946,486 48.6,487 0.546,488 56.158,489 1.17,490 12.67,491 0.264,492 10.983,493 0.229,494 0.036,496 0.295,501 0.743,502 1.054,503 0.816,504 0.982,505 0.623,506 0.916,507 1.078,508 0.99,509 0.96,510 0.975,511 0.708,512 0.952,513 1.077,514 0.994,515 0.918,516 0.975,517 0.835,518 0.939,519 1.249,520 0.913,521 0.899,522 0.894,523 1.122,524 0.87,525 1.305,526 0.937,527 0.931,528 0.93,529 1.534,530 0.903,531 1.269,532 0.926,533 0.986,534 0.94,535 1.812,536 0.94,537 1.125,538 0.967,539 0.987,540 0.985,541 1.111,542 0.977,543 0.954,544 0.949,545 1.018,546 0.986,547 0.567,548 1.006,549 6,550 0.238,551 4,552 3.042,553 2.966,554 1.476,555 1.099,556 0.723,557 0.377,558 0.262,559 53251,560 111529,561 2.187,562 46.1,563 6,564 31,569 4,572 1.837,573 2.118,574 4.13,575 -0.912,582 111.711,583 1.255,584 3.05,585 4.263,586 5.307,587 5.753,588 5.838,589 3.558,590 5.043,591 5.546,592 4.439,593 5006.92,594 9.821,595 107165,600 576.34,601 1.099,602 5.546,603 0.111,604 0.006,605 0.054,606 0.039,607 0.038,608 0.018,609 0.013,610 0.009,611 0.005,612 0.005,613 0.298,614 0.33,615 0.5,616 0.307,617 292.484,618 0.03,619 -0.037,620 0.067,622 -0.001,623 0.03,624 -0.053,625 0.045,626 -0.02,627 -0.005,628 0.008,629 -0.005,630 0.003,631 -0.001,632 0.059,633 0.01,634 0.062,635 0.036,636 0.075,637 0.084,638 0.113,639 0.086,640 0.167,641 0.101,642 -0.031,643 0.058,644 0.066,645 0.051,646 0.113,647 0.066,648 0.016,649 0.059,650 0.013,651 0.045,652 -0.034,653 0.032,654 -0.042,655 0.012,656 0.001,657 0.007,658 -0.061,659 0.008,660 0.073,661 0.03,662 -0.027,663 0.006,664 0.065,665 -0.016,666 1.703,667 7.7,668 0.729,669 85.403,670 0.986,671 1.106,672 7.073,673 50.025,674 0.692,675 4.007,676 4.317,677 4.635,678 4.963,679 5.257,680 5.384,681 5.598,682 5.799,683 5.935,684 6.023,685 11.576,686 0.648,687 631.86,688 4.007,689 5.549,690 6.412,691 7.298,692 8.186,693 9.087,694 9.99,695 10.903,696 11.816,697 12.736,698 1.1,701 1,714 6,715 22,718 1,720 6,722 38,727 1,739 1,741 89,743 39,744 6,745 54,747 95,748 44,749 34,750 10,751 22,752 1,756 7,757 11,770 5,772 35,773 9,777 1,782 1,786 1,792 1,793 41,794 4,796 4,802 1,808 0.571,809 3,828 1,829 6,832 1,833 2,855 1,859 4,864 1,868 48,876 8,878 1,881 1,893 3.4,896 1,898 2,901 22.667,902 16.283,903 10.611,904 5.733,907 7.599,908 1.78,909 1.028,910 9.863,911 17.343,912 4.317,913 4.954,914 5.633,915 6.323,916 6.978,917 7.393,918 7.938,919 8.473,920 8.918,921 9.274,922 0.923,923 79,924 17.84,926 7.636,927 0.026,929 7.493,931 35.019,933 29.427,936 1.993,937 95.667,941 482.615,942 284.619,943 3.124,945 45.652,948 284.619,949 528.267,950 3.124,951 8.396,952 21.476,953 208.477,954 30.278,955 54.482,956 10.285,957 482.615,959 482.615,960 287.744,961 45.652,964 435.531,965 92.737,968 24.601,969 263.143,972 482.615,973 48.776,974 284.619,977 482.615,978 67.746,979 219.998,981 45.652,982 482.615,983 48.776,984 284.619,986 0.569,987 0.335,988 0.194,989 0.112,990 35,991 14,992 0.147,993 14,994 3,995 1.171,996 5.783,997 518.39,998 0.171,999 35,1000 245.323,1005 31.728,1006 14.922,1007 7.201,1008 5.484,1009 48.776,1010 44.801,1013 6.417,1015 4.919,1018 816.011,1019 74,1024 14.7,1028 -0.036,1031 87.756,1032 98.431,1034 0.194,1035 0.471,1036 0.658,1037 0.82,1038 0.888,1039 0.902,1040 5.535,1041 2.166,1042 6.372,1043 6.9,1044 5.004,1045 5.644,1046 1.382,1047 7.195,1048 4.986,1049 6.74,1050 1.882,1051 7.925,1052 6.01,1053 4.443,1054 5.4,1055 0.325,1056 8.134,1057 4.423,1058 8.046,1059 1.815,1060 9.588,1061 5.518,1062 6.586,1063 7.93,1064 1.115,1065 11.324,1066 6.56,1067 9.397,1068 1.552,1069 11.323,1070 4.224,1071 6.938,1072 8.62,1073 0.393,1074 13.195,1075 6.923,1076 10.788,1077 1.525,1078 13.107,1079 3.745,1080 8.49,1081 10.563,1082 0.921,1083 15.905,1084 8.47,1085 12.21,1086 1.463,1087 14.925,1088 3.647,1089 9.288,1090 11.703,1091 0.384,1092 18.153,1093 9.286,1094 13.657,1095 1.351,1096 16.769,1097 3.329,1098 10.603,1099 13.404,1100 0.764,1101 20.717,1102 10.601,1103 3.399,1104 1.347,1105 18.633,1106 3.093,1107 11.617,1108 14.763,1109 0.351,1110 23.117,1111 11.632,1112 3.17,1113 12.507,1114 20.512,1115 3.063,1116 12.844,1117 16.365,1118 0.634,1119 25.638,1120 12.864,1121 2.665,1122 11.343,1123 22.404,1124 4.793,1125 13.96,1126 17.827,1127 0.312,1128 28.1,1129 13.993,1130 2.625,1131 8.449,1132 24.307,1133 4.609,1134 15.16,1135 19.392,1136 0.525,1137 30.609,1138 15.2,1139 2.532,1140 8.37,1141 26.218,1142 3.798,1143 16.322,1144 20.901,1145 0.273,1146 33.098,1147 16.374,1148 2.426,1149 7.788,1150 28.136,1151 3.704,1152 17.518,1153 22.454,1154 0.433,1155 35.606,1156 17.578,1157 2.318,1158 7.392,1159 30.06,1160 3.455,1161 18.702,1162 23.986,1163 0.236,1164 38.107,1165 18.773,1166 48568,1167 70717,1168 37.561,1169 61.597,1170 80.444,1171 81.433,1172 81.75,1173 80.081,1174 80.049,1175 109.395,1176 3.898,1177 226.338,1178 79.269,1179 5.775,1180 5.707,1181 7.045,1182 5.458,1183 5.399,1184 7.793,1185 1.776,1186 20.251,1187 5.424,1188 14.036,1189 1.49,1190 1.508,1191 1.514,1192 1.483,1193 1.482,1194 2.026,1195 0.072,1196 4.191,1197 1.468,1198 4.216,1199 4.224,1200 4.188,1201 4.172,1202 7.427,1203 4.173,1204 4.087,1205 4.094,1206 4.056,1207 4.018,1208 5.124,1209 4.026,1210 3.93,1211 3.971,1212 3.85,1213 3.858,1214 4.942,1215 3.851,1216 3.862,1217 3.886,1218 3.8,1219 3.79,1220 4.815,1221 3.789,1222 3.758,1223 3.817,1224 3.686,1225 3.707,1226 4.754,1227 3.698,1228 3.758,1229 3.788,1230 3.608,1231 3.64,1232 4.615,1233 3.622,1234 3.585,1235 3.658,1236 3.439,1237 3.41,1238 4.423,1239 3.406,1240 3.453,1241 3.475,1242 3.388,1243 3.346,1244 4.278,1245 3.352,1246 0.089,1247 0.069,1248 0.132,1249 0.082,1250 0.063,1251 4.812,1252 0.089,1253 3.707,1254 0.017,1255 7.154,1256 0.232,1257 4.407,1258 0.063,1259 3.399,1260 4.793,1261 0.916,1262 12.507,1263 3.424,1264 2.162,1265 2.151,1266 2.222,1267 2.202,1268 1.4,1269 2.209,1270 1.928,1271 1.912,1272 2.062,1273 2.024,1274 1.392,1275 2.039,1276 1.917,1277 1.885,1278 2.026,1279 2.001,1280 1.209,1281 2.006,1282 1.892,1283 1.876,1284 2.012,1285 1.992,1286 1.151,1287 1.996,1288 1.775,1289 1.744,1290 1.983,1291 1.925,1292 1.108,1293 1.953,1294 1.772,1295 1.715,1296 1.902,1297 1.849,1298 1.066,1299 1.869,1300 1.579,1301 1.513,1302 1.838,1303 1.787,1304 0.978,1305 1.807,1306 1.452,1307 1.443,1308 1.664,1309 1.624,1310 0.857,1311 1.629,1312 4.691,1314 6.004,1315 2.398,1316 7.522,1317 4.844,1318 9.143,1319 7.066,1320 10.824,1322 2.2,1328 8.677,1330 6.105,1333 2.401,1340 57.702,1341 111.711,1342 271.44,1343 379.365,1344 472.327,1345 511.976,1346 519.585,1347 82.28,1348 9.744,1349 42.68,1350 42.68,1351 41,1352 13.247,1353 5.322,1354 4.392,1355 69.288,1356 323,1357 420,1358 0.099,1359 347.17,1360 596.79,1361 838.854,1362 361766,1364 32.71,1365 0.681,1366 0.574,1367 32.71,1368 27.531,1369 23.653,1370 0.438,1371 0.316,1372 16.968,1373 23.229,1374 16.547,1375 13.763,1376 23.653,1377 17.08,1378 20.599,1379 0.278,1380 0.171,1381 20.599,1382 12.689,1383 17.792,1384 0.174,1385 0.09,1386 17.792,1387 9.186,1388 15.608,1389 0.11,1390 0.047,1391 15.608,1392 6.738,1393 13.369,1394 0.07,1395 0.025,1396 13.369,1397 4.817,1398 0.163,1399 144.917,1400 0.163,1401 42.667,1402 0.251,1403 256,1404 610.852,1405 267.603,1406 604.22,1407 854.56,1408 572,1409 304,1410 646.124,1411 316.963,1412 663.343,1413 979.12,1414 628,1415 4.169}
{0 CHEMBL2160221,1 1.294,2 21.022,3 9.836,4 96.739,5 190.934,6 6.563,7 0.56,8 4.593,9 4.716,10 4.055,11 4.163,12 5.578,13 4.107,14 5.153,15 5.345,16 4.363,17 4.543,18 6.055,19 4.461,20 5.415,21 5.641,22 4.441,23 4.69,24 6.28,25 4.577,26 5.516,27 5.762,28 4.443,29 4.719,30 6.394,31 4.593,32 5.509,33 5.754,34 4.453,35 4.749,36 6.389,37 4.62,38 5.535,39 5.775,40 4.439,41 4.774,42 6.439,43 4.634,44 5.507,45 5.754,46 4.362,47 4.731,48 6.339,49 4.579,50 5.455,51 5.707,52 4.268,53 4.627,54 6.315,55 4.473,56 0.086,57 1.234,58 21.557,59 9.522,60 13.579,61 12.984,62 0.286,63 2.065,64 39.137,65 15.358,66 30.078,67 21.453,68 0.375,69 2.542,70 51.297,71 20.334,72 47.667,73 28.315,74 0.583,75 2.724,76 57.499,77 22.28,78 69.314,79 31.014,80 0.413,81 2.737,82 56.462,83 22.722,84 63.352,85 31.68,86 0.612,87 2.788,88 58.185,89 23.483,90 79.289,91 32.578,92 0.37,93 2.715,94 56.077,95 23.161,96 55.521,97 32.294,98 0.649,99 2.529,100 54.1,101 21.287,102 75.117,103 29.683,104 23,105 66,106 0.19,107 0.459,108 0.667,109 0.803,110 0.853,111 0.858,112 3.853,113 1.013,114 -7.28,115 -7.07,116 -6.53,121 43.6,122 2,123 5,126 1,127 6,144 17,145 6,146 1,154 2,159 1,176 25,180 14,187 26,192 15,200 20,205 1,206 15,214 20,219 11,227 30,231 2,232 9,239 38,244 3,251 33,255 3,256 8,264 24,269 9,277 15,281 5898,282 31.844,283 31.844,284 31.844,285 31.844,286 31.844,287 28.522,288 25.555,289 19.463,290 32.243,291 24.631,292 24.631,293 24.631,294 24.631,295 24.631,296 19.626,297 30.92,298 9.196,299 25.167,300 5.261,301 3.422,302 2.003,303 1.08,304 0.734,305 0.705,306 4.557,313 2079,314 5.05,317 121.817,318 659.184,321 233.214,325 3.11,326 28.928,329 0.5,330 0.5,331 0.5,332 0.8,333 0.5,334 0.5,335 0.5,336 0.54,337 96,338 967,339 4.736,340 3.66,341 7.045,342 4.339,343 3.333,344 4.656,345 0.916,346 12.105,347 3.354,348 4.183,349 3.067,350 6.095,351 3.806,352 2.806,353 3.797,354 0.916,355 8.817,356 2.811,357 4.072,358 2.965,359 5.993,360 3.643,361 2.661,362 3.703,363 0.86,364 8.443,365 2.621,366 3.927,367 2.943,368 5.556,369 3.597,370 2.625,371 3.455,372 0.172,373 7.488,374 2.559,375 3.774,376 2.874,377 5.484,378 3.484,379 2.516,380 3.192,381 0.172,382 7.392,383 2.442,384 3.642,385 2.504,386 5.342,387 3.292,388 2.339,389 2.96,391 6.903,392 2.216,393 3.35,394 2.435,395 5.17,396 3.118,397 2.166,398 2.535,400 6.112,401 2.055,402 3.294,403 2.367,404 4.883,405 3.093,406 2.122,407 2.364,409 5.518,410 2.041,411 3.126,412 1.902,413 4.819,414 2.814,415 1.827,416 2.285,418 5.28,419 1.799,420 3.032,421 1.818,422 4.469,423 2.728,424 1.734,425 2.272,427 4.201,428 1.72,429 2.88,430 1.728,431 4.01,432 2.543,433 1.551,434 1.975,436 3.685,437 1.537,438 2.797,439 1.618,440 3.858,441 2.456,442 1.463,443 1.878,445 3.086,446 1.451,447 2.77,448 1.53,449 3.613,450 2.329,451 1.351,452 1.822,454 2.984,455 1.317,456 2.673,457 1.469,458 3.601,459 2.295,460 1.286,461 1.741,463 2.895,464 1.294,465 2.5,466 1.227,467 3.493,468 2.183,469 1.188,470 1.5,472 2.759,473 1.181,474 22.3,475 0.485,476 0.794,477 0.017,478 55.75,479 1.212,480 28,481 0.609,482 27.75,483 0.603,484 47.95,485 1.042,486 49.7,487 0.529,488 47.251,489 1.027,490 10.81,491 0.235,492 11.74,493 0.255,494 0.082,496 0.26,501 0.79,502 1.274,503 0.912,504 1.143,505 0.654,506 1.053,507 1.184,508 1.036,509 1.007,510 0.992,511 0.709,512 0.972,513 1.145,514 1.033,515 0.973,516 1.012,517 0.823,518 0.979,519 1.23,520 0.943,521 0.944,522 0.928,523 1.164,524 0.913,525 1.047,526 0.95,527 0.915,528 0.948,529 1.139,530 0.924,531 1.068,532 0.943,533 1.004,534 0.976,535 1.53,536 0.986,537 0.912,538 1.049,539 0.99,540 1.07,541 1.097,542 1.044,543 1.093,544 0.98,545 1.02,546 1,547 1.223,548 1.007,549 7,550 0.287,551 3.556,552 2.854,553 2.308,554 1.351,555 0.8,556 0.66,557 0.439,558 0.328,559 46873,560 94293,561 2.093,562 51.1,563 6,564 32,569 10,572 1.827,573 2,574 4.249,575 -0.886,582 121.639,583 1.294,584 3.133,585 4.552,586 5.474,587 5.82,588 5.85,589 3.746,590 5.176,591 5.485,592 4.519,593 4676.76,594 9.7,595 100446,600 616.131,601 1.214,602 5.473,603 0.14,604 0.006,605 0.054,606 0.041,607 0.034,608 0.019,609 0.012,610 0.011,611 0.008,612 0.006,613 0.331,614 0.33,615 0.5,616 0.863,617 279.852,618 0.04,619 -0.121,620 0.064,621 -0.047,622 0.003,623 0.001,624 -0.066,625 0.077,626 0.001,627 0.021,628 0.032,629 0.023,630 -0.018,631 -0.003,632 0.03,633 -0.011,634 0.094,635 0.013,636 0.048,637 0.047,638 0.07,639 0.055,640 0.12,641 0.065,642 -0.005,643 0.043,644 0.078,645 0.051,646 0.092,647 0.07,648 0.056,649 0.045,650 -0.006,651 0.027,652 -0.018,653 0.008,654 0.002,655 -0.07,656 -0.01,657 -0.062,658 -0.052,659 -0.041,660 0.118,661 -0.008,662 -0.014,663 -0.014,664 0.023,665 -0.026,666 1.69,667 7.035,668 0.587,669 88.125,670 0.984,671 1.119,672 6.052,673 36.627,674 0.658,675 3.932,676 4.205,677 4.466,678 4.727,679 4.963,680 5.043,681 5.209,682 5.366,683 5.46,684 5.533,685 11.94,686 0.61,687 616.91,688 3.932,689 5.451,690 6.286,691 7.146,692 8.005,693 8.879,694 9.753,695 10.639,696 11.525,697 12.419,698 2.1,701 2,714 2,715 17,718 1,720 7,722 28,727 1,739 1,741 94,743 29,744 4,745 50,747 98,748 41,749 26,750 7,751 17,752 1,756 5,757 6,763 2,770 5,772 27,773 14,777 1,782 1,786 1,792 1,793 48,794 5,796 5,802 2,808 0.8,809 3,828 1,829 4,832 1,855 2,859 4,864 3,868 46,876 11,878 1,881 2,893 3.2,896 1,898 2,901 23,902 17.567,903 10.5,904 6.297,907 5.123,908 1.576,909 0.976,910 12.505,911 14.012,912 4.19,913 4.743,914 5.335,915 5.942,916 6.514,917 6.824,918 7.297,919 7.765,920 8.113,921 8.469,922 0.929,923 69,924 17.108,926 7.064,927 0.026,929 7.482,931 33.731,933 27.45,936 1.982,937 91.167,941 565.013,942 254.099,943 6.249,945 45.652,948 254.099,949 610.665,950 6.249,951 26.047,952 27.794,953 161.096,954 30.278,955 50.5,956 10.285,957 565.013,959 565.013,960 260.348,961 45.652,964 447.302,965 163.363,968 51.693,969 208.655,972 565.013,973 51.901,974 254.099,977 565.013,978 66.956,979 193.392,981 45.652,982 565.013,983 51.901,984 254.099,986 0.561,987 0.327,988 0.179,989 0.098,990 27,991 12,992 0.184,993 18,994 1,995 1.074,996 5.676,997 451.636,998 0.074,999 27,1000 240.084,1005 33.505,1006 17.168,1007 9.348,1008 1.545,1009 51.901,1010 34.383,1013 6.314,1015 6.085,1018 871.013,1019 65,1024 14.035,1028 -0.024,1031 92.508,1032 105.174,1034 0.197,1035 0.478,1036 0.694,1037 0.835,1038 0.888,1039 0.892,1040 5.398,1041 2.122,1042 6.232,1043 6.112,1044 4.89,1045 5.432,1046 1.702,1047 7.004,1048 4.857,1049 6.569,1050 1.827,1051 7.758,1052 5.518,1053 4.29,1054 5.075,1055 0.57,1056 7.847,1057 4.245,1058 7.849,1059 1.734,1060 9.39,1061 5.28,1062 6.431,1063 7.598,1064 1.388,1065 10.989,1066 6.376,1067 9.17,1068 1.551,1069 11.089,1070 4.201,1071 6.723,1072 8.164,1073 0.674,1074 12.77,1075 6.675,1076 10.53,1077 1.463,1078 12.835,1079 3.685,1080 8.269,1081 10.111,1082 1.168,1083 15.443,1084 8.215,1085 11.92,1086 1.351,1087 14.616,1088 3.086,1089 9.002,1090 11.143,1091 0.66,1092 17.635,1093 8.968,1094 13.334,1095 1.286,1096 16.425,1097 2.984,1098 10.305,1099 12.841,1100 0.992,1101 20.17,1102 10.271,1103 3.333,1104 1.188,1105 18.255,1106 2.895,1107 11.265,1108 14.117,1109 0.611,1110 22.539,1111 11.254,1112 2.806,1113 12.105,1114 20.104,1115 2.759,1116 12.474,1117 15.707,1118 0.844,1119 25.038,1120 12.469,1121 2.661,1122 8.817,1123 21.968,1124 4.656,1125 13.549,1126 17.11,1127 0.55,1128 27.48,1129 13.565,1130 2.625,1131 8.443,1132 23.845,1133 3.797,1134 14.73,1135 18.657,1136 0.719,1137 29.971,1138 14.755,1139 2.516,1140 7.488,1141 25.733,1142 3.703,1143 15.862,1144 20.125,1145 0.487,1146 32.443,1147 15.904,1148 2.339,1149 7.392,1150 27.631,1151 3.455,1152 17.04,1153 21.657,1154 0.611,1155 34.933,1156 17.093,1157 2.166,1158 6.903,1159 29.538,1160 3.192,1161 18.202,1162 23.158,1163 0.427,1164 37.417,1165 18.269,1166 44364,1167 63279,1168 33.978,1169 61.887,1170 72.852,1171 73.895,1172 74.734,1173 72.561,1174 72.509,1175 94.11,1176 6.075,1177 198.031,1178 71.258,1179 5.699,1180 5.66,1181 6.936,1182 5.391,1183 5.333,1184 7.656,1185 1.776,1186 19.531,1187 5.354,1188 20.023,1189 1.457,1190 1.478,1191 1.495,1192 1.451,1193 1.45,1194 1.882,1195 0.122,1196 3.961,1197 1.425,1198 4.155,1199 4.159,1200 4.129,1201 4.072,1202 7.427,1203 4.083,1204 3.94,1205 3.978,1206 3.869,1207 3.866,1208 5.122,1209 3.862,1210 3.918,1211 3.951,1212 3.846,1213 3.851,1214 4.816,1215 3.846,1216 3.862,1217 3.887,1218 3.799,1219 3.79,1220 4.757,1221 3.788,1222 3.758,1223 3.817,1224 3.609,1225 3.64,1226 4.7,1227 3.623,1228 3.667,1229 3.74,1230 3.531,1231 3.481,1232 4.423,1233 3.481,1234 3.585,1235 3.658,1236 3.434,1237 3.409,1238 4.282,1239 3.404,1240 3.414,1241 3.456,1242 3.331,1243 3.294,1244 4.269,1245 3.299,1246 0.095,1247 0.073,1248 0.141,1249 0.087,1250 0.067,1251 4.736,1252 0.093,1253 3.66,1254 0.018,1255 7.045,1256 0.242,1257 4.339,1258 0.067,1259 3.333,1260 4.656,1261 0.916,1262 12.105,1263 3.354,1264 1.975,1265 1.959,1266 2.067,1267 2.051,1268 1.392,1269 2.057,1270 1.917,1271 1.885,1272 2.061,1273 2.024,1274 1.246,1275 2.039,1276 1.894,1277 1.876,1278 2.023,1279 1.999,1280 1.209,1281 2.001,1282 1.89,1283 1.866,1284 2.002,1285 1.98,1286 1.159,1287 1.989,1288 1.775,1289 1.715,1290 1.983,1291 1.925,1292 1.109,1293 1.953,1294 1.645,1295 1.571,1296 1.895,1297 1.853,1298 1.066,1299 1.87,1300 1.578,1301 1.509,1302 1.838,1303 1.785,1304 1.05,1305 1.807,1306 1.41,1307 1.396,1308 1.725,1309 1.61,1310 0.869,1311 1.638,1312 4.615,1314 5.9,1315 2.398,1316 7.378,1317 4.844,1318 8.948,1319 7.066,1320 10.571,1322 6.524,1328 11.49,1330 6.067,1333 4.748,1340 57.304,1341 121.639,1342 294.458,1343 427.876,1344 514.582,1345 547.112,1346 549.867,1347 92.806,1348 8.888,1349 45.92,1350 45.92,1351 29,1352 12.948,1353 4.907,1354 4,1355 80.053,1356 322,1357 384,1358 0.115,1359 351.683,1360 612.97,1361 849.867,1362 130346,1364 32.141,1365 0.699,1366 0.602,1367 32.141,1368 27.712,1369 22.55,1370 0.451,1371 0.338,1372 16.742,1373 22.006,1374 16.244,1375 13.601,1376 22.55,1377 16.886,1378 19.08,1379 0.289,1380 0.184,1381 19.08,1382 12.157,1383 16.044,1384 0.187,1385 0.101,1386 16.044,1387 8.677,1388 13.226,1389 0.118,1390 0.054,1391 13.226,1392 6.016,1393 10.735,1394 0.076,1395 0.028,1396 10.735,1397 4.032,1398 0.191,1399 138.914,1400 0.172,1401 41.665,1402 0.288,1403 232,1404 560.497,1405 245.684,1406 547.878,1407 763.45,1408 518,1409 268,1410 566.237,1411 283.294,1412 579.21,1413 847.72,1414 546,1415 4.276}
{0 CHEMBL2160222,1 1.294,2 21.522,3 9.836,4 96.739,5 190.934,6 6.563,7 0.56,8 4.593,9 4.716,10 4.055,11 4.163,12 5.578,13 4.107,14 5.153,15 5.345,16 4.363,17 4.543,18 6.054,19 4.461,20 5.415,21 5.641,22 4.441,23 4.69,24 6.281,25 4.577,26 5.516,27 5.762,28 4.433,29 4.715,30 6.4,31 4.587,32 5.508,33 5.758,34 4.423,35 4.737,36 6.374,37 4.603,38 5.507,39 5.748,40 4.398,41 4.751,42 6.394,43 4.605,44 5.49,45 5.748,46 4.273,47 4.681,48 6.318,49 4.517,50 5.366,51 5.629,52 4.181,53 4.545,54 6.168,55 4.386,56 0.086,57 1.234,58 21.557,59 9.522,60 13.579,61 12.984,62 0.286,63 2.065,64 39.137,65 15.358,66 29.967,67 21.453,68 0.375,69 2.542,70 51.297,71 20.334,72 47.527,73 28.315,74 0.582,75 2.724,76 57.499,77 22.276,78 71.826,79 31.012,80 0.43,81 2.721,82 56.487,83 22.654,84 64.296,85 31.623,86 0.504,87 2.717,88 56.262,89 23.147,90 69.779,91 32.151,92 0.458,93 2.638,94 55.493,95 22.601,96 65.081,97 31.584,98 0.488,99 2.324,100 49.072,101 19.875,102 53.832,103 27.946,104 23,105 66,106 0.19,107 0.459,108 0.663,109 0.794,110 0.845,111 0.845,112 3.853,113 1.013,114 -7.28,115 -7.07,116 -6.53,121 43.6,122 2,123 5,126 1,127 6,144 17,145 6,146 1,154 2,159 1,176 25,180 14,187 26,192 15,200 20,205 1,206 15,214 20,219 11,227 30,231 1,232 8,239 38,243 1,244 3,251 33,255 2,256 5,264 22,268 1,269 9,277 15,281 6030,282 31.844,283 31.844,284 31.844,285 31.844,286 31.844,287 28.522,288 25.555,289 19.423,290 32.243,291 24.614,292 24.614,293 24.614,294 24.614,295 24.614,296 19.62,297 30.92,298 9.169,299 25.15,300 5.261,301 3.422,302 2.03,303 1.142,304 0.79,305 0.79,306 4.557,313 2126,314 5.05,317 125.636,318 667.514,321 239.674,325 3.304,326 28.684,329 0.5,330 0.5,331 0.5,332 0.8,333 0.5,334 0.5,335 0.5,336 0.54,337 96,338 990,339 4.736,340 3.658,341 7.044,342 4.338,343 3.332,344 4.656,345 0.916,346 12.102,347 3.353,348 4.156,349 3.059,350 6.071,351 3.778,352 2.776,353 3.765,354 0.916,355 8.672,356 2.785,357 4.072,358 2.972,359 5.992,360 3.643,361 2.661,362 3.703,363 0.86,364 8.438,365 2.62,366 3.927,367 2.943,368 5.555,369 3.597,370 2.625,371 3.455,372 0.172,373 7.55,374 2.559,375 3.808,376 2.875,377 5.484,378 3.522,379 2.55,380 3.22,381 0.172,382 7.392,383 2.482,384 3.658,385 2.504,386 5.345,387 3.293,388 2.339,389 3.002,391 6.908,392 2.219,393 3.35,394 2.427,395 5.157,396 3.118,397 2.166,398 2.565,400 6.041,401 2.055,402 3.294,403 2.367,404 4.936,405 3.103,406 2.138,407 2.364,409 5.518,410 2.045,411 3.161,412 1.913,413 4.819,414 2.819,415 1.832,416 2.287,418 5.49,419 1.803,420 3.032,421 1.882,422 4.47,423 2.765,424 1.771,425 2.281,427 4.203,428 1.757,429 2.88,430 1.732,431 4.035,432 2.543,433 1.551,434 1.975,436 3.685,437 1.537,438 2.797,439 1.618,440 3.858,441 2.456,442 1.463,443 1.861,445 3.086,446 1.451,447 2.744,448 1.53,449 3.613,450 2.329,451 1.351,452 1.8,454 2.943,455 1.316,456 2.589,457 1.469,458 3.601,459 2.252,460 1.245,461 1.555,463 2.893,464 1.251,465 2.5,466 1.227,467 3.469,468 2.081,469 1.063,470 1.5,472 2.724,473 1.076,474 22.3,475 0.485,476 0.794,477 0.017,478 55.75,479 1.212,480 28,481 0.609,482 27.75,483 0.603,484 47.499,485 1.033,486 49.7,487 0.529,488 46.963,489 1.021,490 10.81,491 0.235,492 11.74,493 0.255,494 0.082,496 0.26,501 0.79,502 1.274,503 0.912,504 1.143,505 0.654,506 1.053,507 1.184,508 1.036,509 1.007,510 0.992,511 0.71,512 0.972,513 1.145,514 1.033,515 0.973,516 1.012,517 0.819,518 0.979,519 1.233,520 0.959,521 0.959,522 0.945,523 1.162,524 0.93,525 1.067,526 0.906,527 0.916,528 0.916,529 1.167,530 0.904,531 0.948,532 0.993,533 0.999,534 1.027,535 1.23,536 1.022,537 0.967,538 0.99,539 1.007,540 1.024,541 1.249,542 1.024,543 0.763,544 0.963,545 0.913,546 0.989,547 0.73,548 0.97,549 7,550 0.274,551 3.778,552 2.729,553 2.388,554 1.407,555 0.771,556 0.596,557 0.474,558 0.293,559 47785,560 95861,561 2.093,562 51.1,563 6,564 32,569 10,572 1.827,573 2,574 4.279,575 -0.886,582 121.639,583 1.294,584 3.133,585 4.524,586 5.412,587 5.765,588 5.765,589 3.817,590 5.089,591 5.484,592 4.557,593 4716.71,594 9.698,595 102399,600 616.131,601 1.214,602 5.473,603 0.14,604 0.006,605 0.057,606 0.04,607 0.036,608 0.021,609 0.012,610 0.011,611 0.009,612 0.006,613 0.336,614 0.33,615 0.5,616 0.863,617 280.716,618 0.04,619 -0.121,620 0.064,621 -0.047,622 0.003,623 0.001,624 -0.066,625 0.077,626 0.001,627 0.021,628 0.031,629 0.023,630 -0.018,631 -0.003,632 0.03,633 -0.011,634 0.097,635 0.013,636 0.046,637 0.032,638 0.055,639 0.039,640 0.127,641 0.048,642 -0.021,643 0.083,644 0.078,645 0.079,646 0.067,647 0.088,648 0.05,649 -0.009,650 -0.013,651 -0.017,652 0.018,653 -0.02,654 0.007,655 -0.022,656 -0.022,657 -0.027,658 -0.082,659 -0.028,660 0.174,661 0.001,662 0.07,663 0.004,664 0.091,665 0.024,666 1.697,667 6.907,668 0.587,669 92.541,670 0.984,671 1.119,672 6.052,673 36.627,674 0.658,675 3.932,676 4.205,677 4.466,678 4.718,679 4.956,680 5.037,681 5.193,682 5.366,683 5.455,684 5.525,685 12.186,686 0.61,687 616.91,688 3.932,689 5.451,690 6.286,691 7.144,692 8.003,693 8.876,694 9.749,695 10.633,696 11.517,697 12.41,698 2.1,701 2,714 2,715 17,718 1,720 7,722 28,727 1,739 1,741 94,743 29,744 4,745 50,747 98,748 41,749 26,750 7,751 17,752 1,756 5,757 6,763 2,770 5,772 27,773 14,777 1,782 1,786 1,792 1,793 48,794 5,796 5,802 2,808 0.8,809 3,828 1,829 4,832 1,855 2,859 4,864 3,868 46,876 11,878 1,881 2,893 3.2,896 1,898 2,901 23,902 17.567,903 10.5,904 6.297,907 5.087,908 1.572,909 0.976,910 12.505,911 13.976,912 4.19,913 4.743,914 5.335,915 5.936,916 6.511,917 6.828,918 7.29,919 7.766,920 8.112,921 8.47,922 1,923 69,924 17.104,926 7.061,927 0.026,929 7.482,931 33.731,933 27.45,936 1.982,937 91.167,941 565.013,942 254.099,943 6.249,945 45.652,948 254.099,949 610.665,950 6.249,951 26.047,952 27.794,953 161.096,954 30.278,955 50.5,956 10.285,957 565.013,959 565.013,960 260.348,961 45.652,964 447.302,965 163.363,968 51.693,969 208.655,972 565.013,973 51.901,974 254.099,977 565.013,978 66.956,979 193.392,981 45.652,982 565.013,983 51.901,984 254.099,986 0.562,987 0.327,988 0.177,989 0.097,990 27,991 12,992 0.184,993 18,994 1,995 1.074,996 5.722,997 447.918,998 0.074,999 27,1000 238.084,1005 33.505,1006 17.168,1007 9.348,1008 1.542,1009 51.901,1010 34.357,1013 6.291,1015 6.132,1018 871.013,1019 65,1024 13.907,1028 -0.03,1031 92.508,1032 105.174,1034 0.197,1035 0.478,1036 0.69,1037 0.826,1038 0.879,1039 0.879,1040 5.398,1041 2.138,1042 6.232,1043 6.041,1044 4.89,1045 5.432,1046 1.702,1047 7.002,1048 4.857,1049 6.569,1050 1.832,1051 7.758,1052 5.518,1053 4.29,1054 5.075,1055 0.57,1056 7.847,1057 4.245,1058 7.849,1059 1.771,1060 9.389,1061 5.49,1062 6.431,1063 7.598,1064 1.388,1065 10.982,1066 6.376,1067 9.17,1068 1.551,1069 11.088,1070 4.203,1071 6.723,1072 8.164,1073 0.674,1074 12.764,1075 6.675,1076 10.53,1077 1.463,1078 12.834,1079 3.685,1080 8.267,1081 10.11,1082 1.168,1083 15.433,1084 8.213,1085 11.919,1086 1.351,1087 14.614,1088 3.086,1089 8.999,1090 11.14,1091 0.66,1092 17.627,1093 8.964,1094 13.333,1095 1.245,1096 16.422,1097 2.943,1098 10.3,1099 12.837,1100 0.992,1101 20.161,1102 10.266,1103 3.332,1104 1.063,1105 18.251,1106 2.893,1107 11.259,1108 14.112,1109 0.611,1110 22.532,1111 11.247,1112 2.776,1113 12.102,1114 20.099,1115 2.724,1116 12.467,1117 15.702,1118 0.844,1119 25.03,1120 12.462,1121 2.661,1122 8.672,1123 21.963,1124 4.656,1125 13.54,1126 17.104,1127 0.55,1128 27.473,1129 13.556,1130 2.625,1131 8.438,1132 23.839,1133 3.765,1134 14.72,1135 18.651,1136 0.719,1137 29.964,1138 14.745,1139 2.55,1140 7.55,1141 25.728,1142 3.703,1143 15.852,1144 20.119,1145 0.487,1146 32.437,1147 15.894,1148 2.339,1149 7.392,1150 27.626,1151 3.455,1152 17.029,1153 21.652,1154 0.611,1155 34.928,1156 17.082,1157 2.166,1158 6.908,1159 29.532,1160 3.22,1161 18.191,1162 23.153,1163 0.427,1164 37.412,1165 18.258,1166 45228,1167 64427,1168 33.978,1169 61.887,1170 72.914,1171 73.89,1172 74.76,1173 72.564,1174 72.512,1175 94.115,1176 6.075,1177 198.045,1178 71.259,1179 5.698,1180 5.658,1181 6.935,1182 5.389,1183 5.332,1184 7.656,1185 1.776,1186 19.506,1187 5.353,1188 20.171,1189 1.458,1190 1.478,1191 1.495,1192 1.451,1193 1.45,1194 1.882,1195 0.122,1196 3.961,1197 1.425,1198 4.155,1199 4.158,1200 4.128,1201 4.072,1202 7.427,1203 4.083,1204 3.94,1205 3.978,1206 3.868,1207 3.866,1208 5.122,1209 3.862,1210 3.918,1211 3.951,1212 3.846,1213 3.851,1214 4.816,1215 3.846,1216 3.862,1217 3.887,1218 3.799,1219 3.79,1220 4.757,1221 3.788,1222 3.758,1223 3.817,1224 3.609,1225 3.64,1226 4.699,1227 3.623,1228 3.67,1229 3.742,1230 3.537,1231 3.485,1232 4.423,1233 3.486,1234 3.585,1235 3.658,1236 3.434,1237 3.409,1238 4.281,1239 3.404,1240 3.415,1241 3.456,1242 3.33,1243 3.294,1244 4.267,1245 3.298,1246 0.095,1247 0.073,1248 0.141,1249 0.087,1250 0.067,1251 4.736,1252 0.093,1253 3.658,1254 0.018,1255 7.044,1256 0.242,1257 4.338,1258 0.067,1259 3.332,1260 4.656,1261 0.916,1262 12.102,1263 3.353,1264 1.975,1265 1.958,1266 2.067,1267 2.05,1268 1.392,1269 2.056,1270 1.917,1271 1.885,1272 2.061,1273 2.024,1274 1.243,1275 2.039,1276 1.894,1277 1.876,1278 2.023,1279 1.999,1280 1.209,1281 2.001,1282 1.89,1283 1.867,1284 2.003,1285 1.981,1286 1.161,1287 1.989,1288 1.775,1289 1.715,1290 1.983,1291 1.925,1292 1.109,1293 1.953,1294 1.647,1295 1.575,1296 1.895,1297 1.854,1298 1.066,1299 1.87,1300 1.578,1301 1.509,1302 1.838,1303 1.785,1304 1.051,1305 1.807,1306 1.412,1307 1.396,1308 1.725,1309 1.61,1310 0.869,1311 1.638,1312 4.615,1314 5.9,1315 2.398,1316 7.378,1317 4.844,1318 8.947,1319 7.066,1320 10.568,1322 6.539,1328 11.607,1330 6.06,1333 4.763,1340 57.304,1341 121.639,1342 294.458,1343 425.286,1344 508.747,1345 541.867,1346 541.867,1347 92.521,1348 8.888,1349 45.92,1350 45.92,1351 29,1352 12.94,1353 4.907,1354 4,1355 80.061,1356 328,1357 384,1358 0.112,1359 351.683,1360 612.97,1361 849.867,1362 130346,1364 32.141,1365 0.699,1366 0.602,1367 32.141,1368 27.712,1369 22.55,1370 0.451,1371 0.338,1372 16.742,1373 22.006,1374 16.244,1375 13.599,1376 22.55,1377 16.886,1378 19.068,1379 0.289,1380 0.184,1381 19.068,1382 12.154,1383 16.112,1384 0.187,1385 0.101,1386 16.112,1387 8.704,1388 13.152,1389 0.118,1390 0.054,1391 13.152,1392 5.966,1393 10.665,1394 0.076,1395 0.029,1396 10.665,1397 4.027,1398 0.187,1399 138.914,1400 0.172,1401 41.802,1402 0.28,1403 232,1404 560.497,1405 245.684,1406 547.813,1407 763.43,1408 518,1409 268,1410 566.237,1411 283.294,1412 579.075,1413 847.48,1414 546,1415 4}
{0 CHEMBL2160223,1 1.322,2 22.146,3 9.884,4 97.699,5 196.874,6 6.601,7 0.538,8 4.638,9 4.759,10 4.103,11 4.189,12 5.629,13 4.139,14 5.2,15 5.389,16 4.406,17 4.56,18 6.114,19 4.485,20 5.457,21 5.684,22 4.478,23 4.701,24 6.332,25 4.596,26 5.533,27 5.77,28 4.473,29 4.727,30 6.425,31 4.607,32 5.562,33 5.812,34 4.474,35 4.744,36 6.458,37 4.618,38 5.545,39 5.789,40 4.463,41 4.752,42 6.434,43 4.626,44 5.487,45 5.716,46 4.425,47 4.734,48 6.374,49 4.601,50 5.491,51 5.739,52 4.336,53 4.68,54 6.341,55 4.53,56 0.081,57 1.288,58 22.526,59 9.938,60 13.394,61 13.407,62 0.323,63 2.131,64 41.218,65 15.87,66 33.483,67 21.956,68 0.513,69 2.599,70 54.121,71 20.711,72 53.592,73 28.666,74 0.593,75 2.729,76 58.611,77 22.628,78 69.743,79 31.222,80 0.623,81 2.795,82 60.439,83 23.308,84 82.208,85 32.367,86 0.646,87 2.764,88 59.359,89 23.028,90 75.911,91 31.86,92 0.499,93 2.663,94 55.228,95 22.383,96 63.623,97 30.951,98 0.625,99 2.618,100 55.891,101 22.252,102 71.742,103 31.028,104 25,105 68,106 0.192,107 0.458,108 0.671,109 0.819,110 0.861,111 0.861,112 3.894,113 1.011,114 -6.68,115 -6.5,116 -6.02,121 42.9,122 2,123 5,126 1,127 7,144 17,145 5,146 2,154 2,159 1,176 23,180 15,187 24,191 1,192 15,200 19,205 1,206 13,214 17,218 1,219 15,227 25,231 1,232 10,239 32,243 1,244 5,251 31,255 3,256 9,264 23,269 9,277 15,281 6968,282 33.258,283 33.258,284 33.258,285 33.258,286 33.258,287 29.937,288 27.049,289 20.398,290 33.806,291 25.614,292 25.614,293 25.614,294 25.614,295 25.614,296 20.599,297 31.585,298 9.631,299 26.377,300 5.293,301 3.467,302 2.008,303 0.988,304 0.697,305 0.697,306 4.599,313 2272,314 5.244,317 128.644,318 693.46,321 245.765,325 3.456,326 33.551,329 0.5,330 0.5,331 0.5,332 0.8,333 1,334 0.5,335 0.5,336 0.61,337 101,338 1063,339 4.736,340 3.66,341 7.045,342 4.339,343 3.333,344 4.656,345 0.916,346 12.105,347 3.354,348 4.177,349 3.064,350 6.093,351 3.783,352 2.786,353 3.794,354 0.86,355 8.795,356 2.782,357 4.072,358 2.943,359 5.993,360 3.64,361 2.658,362 3.703,363 0.86,364 8.442,365 2.619,366 3.927,367 2.902,368 5.484,369 3.597,370 2.625,371 3.455,372 0.8,373 7.392,374 2.559,375 3.747,376 2.868,377 5.419,378 3.384,379 2.458,380 3.186,381 0.172,382 7.029,383 2.293,384 3.62,385 2.738,386 5.315,387 3.317,388 2.362,389 2.947,391 6.824,392 2.228,393 3.437,394 2.504,395 5.264,396 3.243,397 2.288,398 2.493,400 6.62,401 2.17,402 3.294,403 2.367,404 5.021,405 3.117,406 2.165,407 2.425,409 5.518,410 2.055,411 3.197,412 1.997,413 4.819,414 2.818,415 1.834,416 2.364,418 5.516,419 1.801,420 3.032,421 1.898,422 4.47,423 2.762,424 1.779,425 2.283,427 4.202,428 1.741,429 2.88,430 1.736,431 4.026,432 2.543,433 1.552,434 1.975,436 3.685,437 1.537,438 2.808,439 1.619,440 3.858,441 2.456,442 1.463,443 1.917,445 3.108,446 1.451,447 2.794,448 1.53,449 3.613,450 2.34,451 1.355,452 1.831,454 3.058,455 1.328,456 2.68,457 1.469,458 3.601,459 2.328,460 1.351,461 1.75,463 2.896,464 1.315,465 2.5,466 1.457,467 3.519,468 2.194,469 1.203,470 1.5,472 2.773,473 1.19,474 23.133,475 0.482,476 0.794,477 0.017,478 57.75,479 1.203,480 28.5,481 0.594,482 29.25,483 0.609,484 50.368,485 1.049,486 52.467,487 0.535,488 49.744,489 1.036,490 11.252,491 0.234,492 12.298,493 0.256,494 0.079,496 0.251,501 0.807,502 1.309,503 0.904,504 1.178,505 0.668,506 1.069,507 1.226,508 1.056,509 1.015,510 1.01,511 0.75,512 0.98,513 1.215,514 0.96,515 0.975,516 0.96,517 0.874,518 0.941,519 1.17,520 1.005,521 0.966,522 1.001,523 1.173,524 0.969,525 1.105,526 0.912,527 0.903,528 0.907,529 1.105,530 0.889,531 1.167,532 0.878,533 0.952,534 0.889,535 1.36,536 0.898,537 0.932,538 1.076,539 1.023,540 1.095,541 1.238,542 1.074,543 0.857,544 0.999,545 0.991,546 1.043,547 0.868,548 1.036,549 7,550 0.246,551 3.778,552 2.729,553 2.228,554 1.434,555 0.74,556 0.639,557 0.511,558 0.295,559 52987,560 109155,561 2.089,562 51,563 6,564 34,569 10,572 1.838,573 2,574 4.324,575 -0.87,582 129.571,583 1.322,584 3.147,585 4.607,586 5.627,587 5.918,588 5.918,589 3.85,590 5.168,591 5.544,592 4.598,593 5186.44,594 9.826,595 116063,600 648.242,601 1.189,602 5.536,603 0.135,604 0.005,605 0.056,606 0.038,607 0.032,608 0.02,609 0.011,610 0.01,611 0.009,612 0.005,613 0.321,614 0.33,615 0.5,616 1.072,617 296.213,618 0.033,619 -0.14,620 0.066,621 -0.065,622 0.003,623 -0.008,624 -0.078,625 0.058,626 -0.005,627 0.007,628 0.031,629 0.014,630 -0.021,631 0.07,632 0.037,633 0.035,634 0.081,635 0.043,636 0.039,637 -0.016,638 0.044,639 -0.006,640 0.109,641 0.017,642 0.041,643 0.065,644 0.102,645 0.081,646 0.15,647 0.096,648 -0.007,649 0.107,650 0.054,651 0.105,652 -0.003,653 0.089,654 0.041,655 -0.072,656 -0.039,657 -0.076,658 -0.063,659 -0.067,660 0.122,661 -0.019,662 -0.005,663 -0.042,664 0.05,665 -0.038,666 1.757,667 7.035,668 0.563,669 101.167,670 0.987,671 1.12,672 5.448,673 29.683,674 0.654,675 3.97,676 4.234,677 4.489,678 4.736,679 4.963,680 5.05,681 5.215,682 5.371,683 5.472,684 5.549,685 12.488,686 0.608,687 646.94,688 3.97,689 5.485,690 6.315,691 7.169,692 8.023,693 8.893,694 9.763,695 10.644,696 11.526,697 12.418,698 2,701 2,714 2,715 17,718 1,720 7,722 28,727 1,739 2,741 98,743 29,744 4,745 52,747 102,748 42,749 26,750 7,751 17,752 1,756 5,757 6,763 2,770 5,772 27,773 15,777 1,782 1,786 1,792 1,793 50,794 6,796 6,802 2,808 0.8,809 4,828 1,829 4,832 1,855 2,859 4,864 3,868 48,876 12,878 2,881 2,893 4.1,896 1,898 3,901 24,902 18.233,903 11,904 6.547,907 5.159,908 1.573,909 0.968,910 13.718,911 14.155,912 4.22,913 4.76,914 5.344,915 5.942,916 6.509,917 6.818,918 7.289,919 7.758,920 8.11,921 8.469,922 0.933,923 71,924 17.853,926 7.348,927 0.026,929 7.503,931 35.082,933 28.335,936 2.003,937 96.167,941 588.555,942 260.75,943 6.249,945 56.652,948 260.75,949 645.207,950 6.249,951 26.047,952 32.386,953 161.096,954 30.278,955 63.558,956 10.285,957 588.555,959 588.555,960 266.998,961 56.652,964 470.844,965 174.363,968 56.285,969 210.713,972 588.555,973 62.901,974 260.75,977 588.555,978 73.607,979 193.392,981 56.652,982 588.555,983 62.901,984 260.75,986 0.559,987 0.325,988 0.175,989 0.093,990 27,991 12,992 0.196,993 20,994 1,995 1.074,996 5.876,997 472.451,998 0.074,999 27,1000 256.078,1005 35.412,1006 18.595,1007 10.301,1008 1.485,1009 62.901,1010 33.686,1013 6.302,1015 5.411,1018 912.205,1019 67,1024 14.035,1028 -0.09,1031 96.719,1032 109.799,1034 0.2,1035 0.476,1036 0.696,1037 0.851,1038 0.895,1039 0.895,1040 5.425,1041 2.165,1042 6.256,1043 6.62,1044 4.92,1045 5.449,1046 1.86,1047 7.017,1048 4.873,1049 6.588,1050 1.834,1051 7.775,1052 5.518,1053 4.29,1054 5.075,1055 0.57,1056 7.847,1057 4.228,1058 7.864,1059 1.779,1060 9.401,1061 5.516,1062 6.45,1063 7.604,1064 1.527,1065 10.985,1066 6.372,1067 9.18,1068 1.552,1069 11.096,1070 4.202,1071 6.723,1072 8.164,1073 0.581,1074 12.765,1075 6.653,1076 10.537,1077 1.463,1078 12.839,1079 3.685,1080 8.278,1081 10.112,1082 1.279,1083 15.435,1084 8.198,1085 11.924,1086 1.355,1087 14.617,1088 3.108,1089 8.999,1090 11.142,1091 0.515,1092 17.629,1093 8.943,1094 13.337,1095 1.351,1096 16.423,1097 3.058,1098 10.305,1099 12.84,1100 1.07,1101 20.164,1102 10.248,1103 3.333,1104 1.203,1105 18.252,1106 2.896,1107 11.258,1108 14.116,1109 0.441,1110 22.535,1111 11.23,1112 2.786,1113 12.105,1114 20.1,1115 2.773,1116 12.468,1117 15.706,1118 0.89,1119 25.034,1120 12.447,1121 2.658,1122 8.795,1123 21.963,1124 4.656,1125 13.54,1126 17.109,1127 0.373,1128 27.478,1129 13.543,1130 2.625,1131 8.442,1132 23.84,1133 3.794,1134 14.721,1135 18.656,1136 0.735,1137 29.969,1138 14.735,1139 2.458,1140 7.392,1141 25.729,1142 3.703,1143 15.853,1144 20.124,1145 0.314,1146 32.441,1147 15.886,1148 2.362,1149 7.029,1150 27.627,1151 3.455,1152 17.031,1153 21.657,1154 0.603,1155 34.932,1156 17.075,1157 2.288,1158 6.824,1159 29.534,1160 3.186,1161 18.194,1162 23.157,1163 0.264,1164 37.417,1165 18.253,1166 50352,1167 72687,1168 35.364,1169 64.103,1170 75.417,1171 76.681,1172 77.167,1173 75.099,1174 75.063,1175 96.665,1176 7.218,1177 203.152,1178 73.237,1179 5.699,1180 5.66,1181 6.936,1182 5.398,1183 5.333,1184 7.656,1185 1.776,1186 19.53,1187 5.354,1188 20.776,1189 1.45,1190 1.475,1191 1.484,1192 1.444,1193 1.444,1194 1.859,1195 0.139,1196 3.907,1197 1.408,1198 4.154,1199 4.157,1200 4.128,1201 4.07,1202 7.427,1203 4.082,1204 3.935,1205 3.975,1206 3.857,1207 3.86,1208 5.122,1209 3.854,1210 3.899,1211 3.92,1212 3.841,1213 3.824,1214 4.833,1215 3.825,1216 3.862,1217 3.887,1218 3.799,1219 3.789,1220 4.813,1221 3.788,1222 3.76,1223 3.819,1224 3.614,1225 3.641,1226 4.753,1227 3.624,1228 3.731,1229 3.807,1230 3.59,1231 3.534,1232 4.424,1233 3.537,1234 3.585,1235 3.658,1236 3.435,1237 3.409,1238 4.371,1239 3.404,1240 3.424,1241 3.46,1242 3.346,1243 3.297,1244 4.279,1245 3.305,1246 0.091,1247 0.07,1248 0.135,1249 0.083,1250 0.064,1251 4.736,1252 0.09,1253 3.66,1254 0.018,1255 7.045,1256 0.233,1257 4.339,1258 0.064,1259 3.333,1260 4.656,1261 0.916,1262 12.105,1263 3.354,1264 1.964,1265 1.95,1266 2.062,1267 2.037,1268 1.392,1269 2.041,1270 1.917,1271 1.885,1272 2.044,1273 2.023,1274 1.21,1275 2.036,1276 1.892,1277 1.876,1278 2.02,1279 1.999,1280 1.207,1281 1.999,1282 1.865,1283 1.845,1284 1.984,1285 1.969,1286 1.175,1287 1.975,1288 1.775,1289 1.715,1290 1.978,1291 1.927,1292 1.11,1293 1.953,1294 1.697,1295 1.62,1296 1.942,1297 1.911,1298 1.066,1299 1.926,1300 1.578,1301 1.51,1302 1.838,1303 1.786,1304 1.055,1305 1.807,1306 1.412,1307 1.4,1308 1.725,1309 1.617,1310 0.884,1311 1.638,1312 4.654,1314 5.932,1315 2.398,1316 7.403,1317 4.844,1318 8.965,1319 7.066,1320 10.581,1322 6.491,1328 12.05,1330 12.088,1333 4.709,1340 59.545,1341 129.571,1342 308.438,1343 451.496,1344 551.448,1345 579.977,1346 579.977,1347 101.368,1348 8.996,1349 55.15,1350 55.15,1351 29,1352 12.949,1353 4.907,1354 4,1355 85.472,1356 347,1357 420,1358 0.112,1359 365.272,1360 639.06,1361 883.023,1362 151572,1364 33.556,1365 0.699,1366 0.601,1367 33.556,1368 28.828,1369 23.55,1370 0.453,1371 0.337,1372 17.348,1373 22.868,1374 16.866,1375 14.09,1376 23.55,1377 17.525,1378 19.775,1379 0.291,1380 0.182,1381 19.775,1382 12.399,1383 16.602,1384 0.189,1385 0.101,1386 16.602,1387 8.854,1388 13.573,1389 0.12,1390 0.054,1391 13.573,1392 6.059,1393 10.814,1394 0.076,1395 0.027,1396 10.814,1397 3.889,1398 0.187,1399 145.822,1400 0.168,1401 43.193,1402 0.281,1403 240,1404 612.232,1405 257.227,1406 589.199,1407 817.73,1408 558,1409 276,1410 603.691,1411 294.505,1412 612.086,1413 896.04,1414 578,1415 4.431}
{0 CHEMBL2160224,1 1.322,2 22.688,3 9.884,4 97.699,5 196.874,6 6.601,7 0.538,8 4.638,9 4.759,10 4.103,11 4.189,12 5.629,13 4.139,14 5.2,15 5.389,16 4.406,17 4.56,18 6.114,19 4.485,20 5.457,21 5.684,22 4.478,23 4.701,24 6.334,25 4.596,26 5.533,27 5.77,28 4.46,29 4.727,30 6.427,31 4.604,32 5.559,33 5.813,34 4.443,35 4.738,36 6.423,37 4.606,38 5.536,39 5.784,40 4.439,41 4.735,42 6.435,43 4.604,44 5.456,45 5.691,46 4.357,47 4.707,48 6.309,49 4.565,50 5.455,51 5.706,52 4.264,53 4.633,54 6.301,55 4.473,56 0.081,57 1.288,58 22.526,59 9.938,60 13.394,61 13.407,62 0.323,63 2.131,64 41.218,65 15.87,66 33.372,67 21.956,68 0.513,69 2.599,70 54.121,71 20.711,72 54.104,73 28.666,74 0.602,75 2.729,76 58.616,77 22.633,78 71.72,79 31.234,80 0.509,81 2.791,82 60.05,83 23.318,84 71.659,85 32.455,86 0.741,87 2.733,88 58.923,89 22.811,90 85.27,91 31.699,92 0.367,93 2.595,94 53.286,95 21.909,96 53.767,97 30.429,98 0.637,99 2.515,100 53.834,101 21.641,102 69.894,103 30.256,104 25,105 68,106 0.192,107 0.458,108 0.667,109 0.8,110 0.844,111 0.85,112 3.894,113 1.011,114 -6.68,115 -6.5,116 -6.02,121 42.9,122 2,123 5,126 1,127 7,144 17,145 5,146 2,154 2,159 1,176 23,180 15,187 24,191 1,192 15,200 19,205 1,206 14,214 18,219 13,227 25,231 2,232 11,239 33,244 3,251 33,255 3,256 6,264 22,268 1,269 10,277 12,281 7128,282 33.258,283 33.258,284 33.258,285 33.258,286 33.258,287 29.937,288 27.049,289 20.358,290 33.806,291 25.597,292 25.597,293 25.597,294 25.597,295 25.597,296 20.593,297 31.585,298 9.604,299 26.363,300 5.293,301 3.467,302 2.034,303 1.116,304 0.819,305 0.778,306 4.599,313 2326,314 5.244,317 133.389,318 704.097,321 253.841,325 3.745,326 33.124,329 0.5,330 0.5,331 0.5,332 0.8,333 1,334 0.5,335 0.5,336 0.61,337 101,338 1089,339 4.736,340 3.658,341 7.044,342 4.338,343 3.332,344 4.656,345 0.916,346 12.102,347 3.353,348 4.152,349 3.057,350 6.07,351 3.76,352 2.759,353 3.763,354 0.86,355 8.666,356 2.766,357 4.071,358 2.943,359 5.992,360 3.639,361 2.656,362 3.703,363 0.86,364 8.438,365 2.618,366 3.927,367 2.904,368 5.484,369 3.597,370 2.625,371 3.455,372 0.8,373 7.392,374 2.559,375 3.773,376 2.872,377 5.388,378 3.402,379 2.471,380 3.211,381 0.172,382 7.003,383 2.312,384 3.644,385 2.739,386 5.323,387 3.323,388 2.375,389 2.992,391 6.866,392 2.228,393 3.437,394 2.504,395 5.261,396 3.267,397 2.317,398 2.536,400 6.618,401 2.187,402 3.294,403 2.367,404 5.087,405 3.117,406 2.166,407 2.433,409 5.682,410 2.055,411 3.232,412 2.033,413 4.819,414 2.828,415 1.845,416 2.364,418 5.518,419 1.809,420 3.032,421 1.898,422 4.47,423 2.786,424 1.797,425 2.283,427 4.204,428 1.771,429 2.88,430 1.736,431 4.046,432 2.543,433 1.552,434 1.975,436 3.686,437 1.537,438 2.797,439 1.619,440 3.858,441 2.456,442 1.463,443 1.868,445 3.092,446 1.451,447 2.758,448 1.53,449 3.613,450 2.329,451 1.351,452 1.806,454 3.013,455 1.316,456 2.607,457 1.489,458 3.601,459 2.277,460 1.29,461 1.587,463 2.895,464 1.268,465 2.5,466 1.469,467 3.471,468 2.152,469 1.189,470 1.5,472 2.752,473 1.137,474 23.133,475 0.482,476 0.794,477 0.017,478 57.75,479 1.203,480 28.5,481 0.594,482 29.25,483 0.609,484 49.913,485 1.04,486 52.467,487 0.535,488 49.386,489 1.029,490 11.252,491 0.234,492 12.298,493 0.256,494 0.079,496 0.251,501 0.807,502 1.309,503 0.904,504 1.178,505 0.668,506 1.069,507 1.226,508 1.056,509 1.015,510 1.01,511 0.751,512 0.98,513 1.215,514 0.96,515 0.975,516 0.96,517 0.866,518 0.941,519 1.183,520 1.005,521 0.985,522 1.003,523 1.181,524 0.979,525 1.106,526 0.919,527 0.91,528 0.915,529 1.173,530 0.897,531 1.068,532 0.862,533 0.937,534 0.875,535 1.186,536 0.891,537 0.879,538 1.064,539 1.029,540 1.096,541 1.046,542 1.082,543 0.733,544 1.03,545 0.992,546 1.077,547 0.871,548 1.067,549 7,550 0.221,551 4,552 2.604,553 2.228,554 1.49,555 0.792,556 0.568,557 0.514,558 0.329,559 54203,560 111619,561 2.089,562 51,563 6,564 34,569 10,572 1.837,573 2,574 4.355,575 -0.87,582 129.571,583 1.322,584 3.147,585 4.581,586 5.499,587 5.796,588 5.836,589 3.924,590 5.069,591 5.543,592 4.637,593 5230.77,594 9.822,595 118687,600 648.242,601 1.189,602 5.536,603 0.135,604 0.005,605 0.059,606 0.037,607 0.033,608 0.022,609 0.012,610 0.009,611 0.01,612 0.007,613 0.326,614 0.33,615 0.5,616 1.072,617 297.271,618 0.033,619 -0.14,620 0.066,621 -0.065,622 0.003,623 -0.008,624 -0.078,625 0.058,626 -0.005,627 0.007,628 0.03,629 0.014,630 -0.021,631 0.07,632 0.037,633 0.035,634 0.089,635 0.043,636 0.025,637 -0.016,638 0.025,639 -0.008,640 0.104,641 0.007,642 -0.026,643 0.056,644 0.088,645 0.073,646 0.06,647 0.091,648 0.069,649 0.119,650 0.066,651 0.116,652 0.091,653 0.095,654 -0.031,655 -0.06,656 -0.057,657 -0.075,658 -0.073,659 -0.069,660 0.183,661 -0.059,662 -0.014,663 -0.074,664 0.048,665 -0.065,666 1.743,667 6.917,668 0.563,669 106.354,670 0.987,671 1.12,672 5.448,673 29.683,674 0.654,675 3.97,676 4.234,677 4.489,678 4.727,679 4.956,680 5.05,681 5.204,682 5.357,683 5.464,684 5.557,685 12.798,686 0.608,687 646.94,688 3.97,689 5.485,690 6.315,691 7.168,692 8.021,693 8.889,694 9.758,695 10.638,696 11.52,697 12.41,698 2,701 2,714 2,715 17,718 1,720 7,722 28,727 1,739 2,741 98,743 29,744 4,745 52,747 102,748 42,749 26,750 7,751 17,752 1,756 5,757 6,763 2,770 5,772 27,773 15,777 1,782 1,786 1,792 1,793 50,794 6,796 6,802 2,808 0.8,809 4,828 1,829 4,832 1,855 2,859 4,864 3,868 48,876 12,878 2,881 2,893 4.1,896 1,898 3,901 24,902 18.233,903 11,904 6.547,907 5.117,908 1.569,909 0.968,910 13.718,911 14.113,912 4.22,913 4.76,914 5.344,915 5.936,916 6.506,917 6.825,918 7.284,919 7.754,920 8.11,921 8.476,922 1,923 71,924 17.848,926 7.342,927 0.026,929 7.503,931 35.082,933 28.335,936 2.003,937 96.167,941 588.555,942 260.75,943 6.249,945 56.652,948 260.75,949 645.207,950 6.249,951 26.047,952 32.386,953 161.096,954 30.278,955 63.558,956 10.285,957 588.555,959 588.555,960 266.998,961 56.652,964 470.844,965 174.363,968 56.285,969 210.713,972 588.555,973 62.901,974 260.75,977 588.555,978 73.607,979 193.392,981 56.652,982 588.555,983 62.901,984 260.75,986 0.56,987 0.325,988 0.173,989 0.092,990 27,991 12,992 0.196,993 20,994 1,995 1.074,996 5.926,997 468.334,998 0.074,999 27,1000 252.078,1005 35.412,1006 18.595,1007 10.301,1008 1.496,1009 62.901,1010 33.65,1013 6.284,1015 5.525,1018 912.205,1019 67,1024 13.917,1028 -0.076,1031 96.719,1032 109.799,1034 0.2,1035 0.476,1036 0.692,1037 0.831,1038 0.876,1039 0.882,1040 5.425,1041 2.166,1042 6.256,1043 6.618,1044 4.92,1045 5.449,1046 1.86,1047 7.015,1048 4.873,1049 6.588,1050 1.845,1051 7.775,1052 5.682,1053 4.29,1054 5.075,1055 0.57,1056 7.847,1057 4.228,1058 7.864,1059 1.797,1060 9.401,1061 5.518,1062 6.45,1063 7.604,1064 1.527,1065 10.978,1066 6.372,1067 9.18,1068 1.552,1069 11.095,1070 4.204,1071 6.723,1072 8.164,1073 0.581,1074 12.76,1075 6.653,1076 10.537,1077 1.463,1078 12.837,1079 3.686,1080 8.276,1081 10.111,1082 1.279,1083 15.425,1084 8.197,1085 11.924,1086 1.351,1087 14.615,1088 3.092,1089 8.995,1090 11.139,1091 0.515,1092 17.621,1093 8.941,1094 13.335,1095 1.29,1096 16.42,1097 3.013,1098 10.3,1099 12.837,1100 1.07,1101 20.155,1102 10.245,1103 3.332,1104 1.189,1105 18.248,1106 2.895,1107 11.252,1108 14.111,1109 0.441,1110 22.527,1111 11.224,1112 2.759,1113 12.102,1114 20.095,1115 2.752,1116 12.461,1117 15.701,1118 0.89,1119 25.027,1120 12.441,1121 2.656,1122 8.666,1123 21.958,1124 4.656,1125 13.531,1126 17.103,1127 0.373,1128 27.471,1129 13.536,1130 2.625,1131 8.438,1132 23.835,1133 3.763,1134 14.712,1135 18.65,1136 0.735,1137 29.963,1138 14.728,1139 2.471,1140 7.392,1141 25.723,1142 3.703,1143 15.843,1144 20.118,1145 0.314,1146 32.436,1147 15.878,1148 2.375,1149 7.003,1150 27.621,1151 3.455,1152 17.021,1153 21.651,1154 0.603,1155 34.927,1156 17.068,1157 2.317,1158 6.866,1159 29.528,1160 3.211,1161 18.183,1162 23.152,1163 0.264,1164 37.411,1165 18.246,1166 51504,1167 74331,1168 35.364,1169 64.103,1170 75.418,1171 76.61,1172 77.223,1173 75.1,1174 75.062,1175 96.666,1176 7.218,1177 203.149,1178 73.235,1179 5.698,1180 5.658,1181 6.935,1182 5.396,1183 5.332,1184 7.656,1185 1.776,1186 19.506,1187 5.353,1188 20.908,1189 1.45,1190 1.473,1191 1.485,1192 1.444,1193 1.444,1194 1.859,1195 0.139,1196 3.907,1197 1.408,1198 4.154,1199 4.156,1200 4.128,1201 4.07,1202 7.427,1203 4.082,1204 3.935,1205 3.975,1206 3.857,1207 3.86,1208 5.122,1209 3.854,1210 3.899,1211 3.92,1212 3.841,1213 3.824,1214 4.835,1215 3.825,1216 3.862,1217 3.887,1218 3.799,1219 3.789,1220 4.813,1221 3.788,1222 3.76,1223 3.819,1224 3.614,1225 3.641,1226 4.754,1227 3.624,1228 3.732,1229 3.807,1230 3.59,1231 3.534,1232 4.424,1233 3.537,1234 3.585,1235 3.658,1236 3.435,1237 3.409,1238 4.362,1239 3.404,1240 3.43,1241 3.463,1242 3.352,1243 3.298,1244 4.279,1245 3.307,1246 0.091,1247 0.07,1248 0.135,1249 0.083,1250 0.064,1251 4.736,1252 0.09,1253 3.658,1254 0.018,1255 7.044,1256 0.233,1257 4.338,1258 0.064,1259 3.332,1260 4.656,1261 0.916,1262 12.102,1263 3.353,1264 1.964,1265 1.95,1266 2.062,1267 2.036,1268 1.392,1269 2.041,1270 1.917,1271 1.885,1272 2.044,1273 2.023,1274 1.209,1275 2.036,1276 1.892,1277 1.876,1278 2.02,1279 1.999,1280 1.207,1281 1.999,1282 1.865,1283 1.845,1284 1.984,1285 1.97,1286 1.176,1287 1.975,1288 1.775,1289 1.715,1290 1.978,1291 1.927,1292 1.11,1293 1.953,1294 1.697,1295 1.62,1296 1.941,1297 1.911,1298 1.066,1299 1.926,1300 1.578,1301 1.51,1302 1.838,1303 1.786,1304 1.055,1305 1.807,1306 1.415,1307 1.402,1308 1.725,1309 1.621,1310 0.885,1311 1.638,1312 4.654,1314 5.932,1315 2.398,1316 7.403,1317 4.844,1318 8.964,1319 7.066,1320 10.578,1322 6.5,1328 12.16,1330 11.995,1333 4.716,1340 59.545,1341 129.571,1342 308.438,1343 448.906,1344 538.857,1345 567.977,1346 571.977,1347 100.816,1348 8.996,1349 55.15,1350 55.15,1351 29,1352 12.942,1353 4.907,1354 4,1355 85.508,1356 355,1357 420,1358 0.11,1359 365.272,1360 639.06,1361 883.023,1362 151572,1364 33.556,1365 0.699,1366 0.601,1367 33.556,1368 28.828,1369 23.55,1370 0.453,1371 0.337,1372 17.348,1373 22.868,1374 16.867,1375 14.089,1376 23.55,1377 17.525,1378 19.763,1379 0.291,1380 0.182,1381 19.763,1382 12.395,1383 16.67,1384 0.189,1385 0.101,1386 16.67,1387 8.874,1388 13.503,1389 0.121,1390 0.054,1391 13.503,1392 6.034,1393 10.717,1394 0.076,1395 0.027,1396 10.717,1397 3.876,1398 0.183,1399 145.822,1400 0.168,1401 43.355,1402 0.273,1403 240,1404 612.232,1405 257.227,1406 589.134,1407 817.71,1408 558,1409 276,1410 603.691,1411 294.505,1412 611.949,1413 895.76,1414 578,1415 4.108}
{0 CHEMBL2160225,1 1.361,2 23.265,3 8.874,4 78.755,5 196.452,6 6.814,7 0.519,8 4.645,9 4.759,10 4.144,11 4.191,12 5.64,13 4.153,14 5.218,15 5.394,16 4.452,17 4.573,18 6.148,19 4.511,20 5.477,21 5.695,22 4.502,23 4.714,24 6.362,25 4.613,26 5.534,27 5.774,28 4.461,29 4.714,30 6.416,31 4.593,32 5.516,33 5.76,34 4.452,35 4.708,36 6.396,37 4.591,38 5.497,39 5.729,40 4.459,41 4.72,42 6.432,43 4.6,44 5.454,45 5.687,46 4.372,47 4.704,48 6.307,49 4.567,50 5.45,51 5.698,52 4.296,53 4.627,54 6.301,55 4.477,56 0.058,57 1.282,58 21.871,59 9.814,60 11.283,61 12.925,62 0.366,63 2.145,64 41.408,65 15.822,66 34.352,67 21.271,68 0.603,69 2.63,70 55.044,71 21.028,72 57.424,73 28.643,74 0.607,75 2.72,76 58.739,77 22.58,78 70.839,79 31.051,80 0.527,81 2.678,82 57.734,83 22.215,84 67.858,85 30.534,86 0.83,87 2.646,88 56.55,89 21.923,90 86.314,91 30.097,92 0.361,93 2.588,94 52.984,95 21.817,96 53.469,97 30.132,98 0.631,99 2.5,100 53.726,101 21.468,102 69.577,103 29.852,104 5,105 71,106 0.198,107 0.464,108 0.657,109 0.8,110 0.851,111 0.857,112 3.914,113 0.983,114 -5.53,115 -5.4,116 -5.04,121 43.3,123 5,126 1,127 9,144 17,145 5,146 2,154 2,159 1,176 23,180 13,187 24,191 2,192 15,200 19,205 1,206 14,214 17,219 11,227 25,231 3,232 11,239 33,244 3,251 29,255 3,256 8,264 18,268 1,269 12,277 10,281 7624,282 34.086,283 34.086,284 34.086,285 34.086,286 34.086,287 30.765,288 27.825,289 21.049,290 34.723,291 26.759,292 26.759,293 26.759,294 26.759,295 26.759,296 21.755,297 33.126,298 10.146,299 27.719,300 5.239,301 3.412,302 2.088,303 1.107,304 0.75,305 0.709,306 4.629,313 2490,314 4.796,317 134.765,318 901.486,321 256.584,325 3.936,326 36.51,329 0.5,330 0.5,331 0.67,332 0.9,333 0.5,334 0.67,335 0.5,336 0.6,337 104,338 1140,339 4.736,340 3.658,341 7.044,342 4.338,343 3.332,344 4.656,345 0.916,346 12.102,347 3.353,348 4.152,349 3.057,350 6.07,351 3.76,352 2.759,353 3.763,354 0.86,355 8.666,356 2.766,357 4.071,358 2.943,359 5.992,360 3.639,361 2.656,362 3.703,363 0.86,364 8.438,365 2.618,366 3.927,367 2.934,368 5.484,369 3.597,370 2.625,371 3.455,372 0.86,373 7.392,374 2.559,375 3.773,376 2.876,377 5.392,378 3.448,379 2.53,380 3.211,381 0.8,382 7.04,383 2.327,384 3.645,385 2.81,386 5.342,387 3.349,388 2.392,389 2.992,390 0.172,391 6.935,392 2.271,393 3.513,394 2.504,395 5.307,396 3.272,397 2.321,398 2.545,400 6.835,401 2.194,402 3.295,403 2.367,404 5.087,405 3.117,406 2.166,407 2.502,409 5.683,410 2.055,411 3.234,412 2.181,413 4.819,414 2.829,415 1.846,416 2.364,418 5.518,419 1.81,420 3.032,421 2.017,422 4.47,423 2.787,424 1.799,425 2.283,427 4.204,428 1.772,429 2.88,430 1.898,431 4.047,432 2.543,433 1.553,434 1.975,436 3.686,437 1.537,438 2.798,439 1.735,440 3.858,441 2.456,442 1.548,443 1.869,445 3.258,446 1.451,447 2.76,448 1.619,449 3.676,450 2.436,451 1.463,452 1.806,454 3.086,455 1.367,456 2.618,457 1.53,458 3.613,459 2.329,460 1.351,461 1.612,463 2.974,464 1.316,465 2.543,466 1.469,467 3.601,468 2.257,469 1.262,470 1.527,472 2.894,473 1.249,474 23.467,475 0.479,476 0.794,477 0.016,478 59.25,479 1.209,480 28.5,481 0.582,482 30.75,483 0.628,484 49.51,485 1.01,486 53.333,487 0.55,488 50.816,489 1.037,490 11.707,491 0.239,492 12.429,493 0.254,494 0.036,496 0.247,501 0.812,502 1.305,503 0.858,504 1.171,505 0.648,506 1.042,507 1.315,508 1.047,509 1.048,510 1.002,511 0.83,512 0.981,513 1.158,514 0.975,515 1.011,516 0.984,517 0.886,518 0.978,519 1.021,520 0.979,521 0.942,522 0.978,523 1.103,524 0.955,525 1.077,526 0.91,527 0.911,528 0.905,529 1.195,530 0.891,531 0.944,532 0.901,533 0.967,534 0.92,535 1.172,536 0.942,537 0.771,538 1.056,539 1.002,540 1.092,541 1.002,542 1.079,543 0.678,544 1.019,545 0.956,546 1.067,547 0.824,548 1.052,549 6.5,550 0.213,551 3.778,552 2.417,553 2.219,554 1.469,555 0.771,556 0.509,557 0.481,558 0.32,559 60487,560 130003,561 2.147,562 49.5,563 6,564 38,569 4,572 1.842,573 2.085,574 4.392,575 -0.853,582 132.026,583 1.361,584 3.188,585 4.511,586 5.493,587 5.85,588 5.891,589 3.911,590 5.207,591 5.573,592 4.667,593 5487.81,594 9.881,595 126751,600 640.192,601 1.032,602 5.578,603 0.12,604 0.004,605 0.053,606 0.034,607 0.033,608 0.021,609 0.011,610 0.008,611 0.009,612 0.006,613 0.299,614 0.17,615 0.5,616 0.303,617 305.374,618 0.022,619 -0.149,620 0.075,621 -0.073,622 0.015,623 -0.006,624 -0.129,625 0.062,626 -0.051,627 0.007,628 -0.016,629 -0.004,630 -0.026,631 0.046,632 -0.011,633 0.011,634 0.059,635 0.004,636 0.025,637 0.001,638 0.054,639 0.013,640 0.113,641 0.034,642 -0.046,643 0.069,644 0.083,645 0.086,646 0.037,647 0.099,648 0.104,649 0.091,650 0.026,651 0.08,652 0.09,653 0.05,654 -0.021,655 -0.058,656 -0.046,657 -0.072,658 -0.074,659 -0.063,660 0.165,661 -0.051,662 0.016,663 -0.064,664 0.065,665 -0.045,666 1.747,667 6.944,668 0.673,669 111.459,670 0.991,671 1.12,672 4.297,673 18.465,674 0.658,675 4.007,676 4.277,677 4.533,678 4.787,679 5.024,680 5.088,681 5.236,682 5.394,683 5.505,684 5.602,685 13.036,686 0.616,687 660.92,688 4.007,689 5.525,690 6.358,691 7.212,692 8.065,693 8.933,694 9.8,695 10.679,696 11.559,697 12.447,698 2.1,701 2,714 2,715 17,718 1,720 7,722 28,727 1,739 2,741 97,743 29,744 4,745 54,747 102,748 42,749 26,750 7,751 17,752 1,756 6,757 7,770 5,772 27,773 15,777 1,782 1,786 1,792 1,793 48,794 7,796 7,802 2,808 0.833,809 5,828 1,829 5,832 1,855 2,858 1,859 5,864 1,868 49,876 14,878 3,881 2,893 5.2,896 1,897 1,898 3,901 23.5,902 17.4,903 11,904 6.214,907 5.176,908 1.559,909 0.982,910 12.945,911 14.438,912 4.248,913 4.785,914 5.363,915 5.954,916 6.52,917 6.831,918 7.288,919 7.758,920 8.115,921 8.482,922 0.938,923 72,924 18.232,926 7.618,927 0.026,929 7.514,931 35.835,933 29.387,936 2.014,937 98.667,941 565.013,942 252.284,943 6.249,945 67.652,948 252.284,949 632.665,950 6.249,951 8.396,952 41.571,953 161.096,954 41.278,955 63.558,956 10.285,957 565.013,959 565.013,960 258.533,961 67.652,964 517.928,965 103.736,966 11,968 47.819,969 210.713,972 565.013,973 73.901,974 252.284,977 565.013,978 82.791,979 175.741,981 67.652,982 565.013,983 73.901,984 252.284,986 0.563,987 0.322,988 0.176,989 0.097,990 30,991 12,992 0.176,993 18,994 1,995 1.061,996 6.124,997 488.277,998 0.061,999 33,1000 259.121,1005 34.911,1006 18.17,1007 10.054,1008 1.489,1009 73.901,1010 33.626,1013 6.289,1015 5.498,1018 891.197,1019 69,1024 13.944,1028 -0.081,1031 96.163,1032 108.593,1034 0.206,1035 0.483,1036 0.684,1037 0.832,1038 0.886,1039 0.893,1040 5.46,1041 2.166,1042 6.293,1043 6.835,1044 4.963,1045 5.474,1046 2.067,1047 7.047,1048 4.906,1049 6.615,1050 1.846,1051 7.805,1052 5.683,1053 4.29,1054 5.075,1055 0.57,1056 7.847,1057 4.228,1058 7.886,1059 1.799,1060 9.423,1061 5.518,1062 6.485,1063 7.615,1064 1.74,1065 10.994,1066 6.395,1067 9.198,1068 1.553,1069 11.112,1070 4.204,1071 6.723,1072 8.164,1073 0.581,1074 12.764,1075 6.653,1076 10.551,1077 1.548,1078 12.849,1079 3.686,1080 8.303,1081 10.115,1082 1.482,1083 15.433,1084 8.212,1085 11.935,1086 1.463,1087 14.624,1088 3.258,1089 9,1090 11.139,1091 0.515,1092 17.625,1093 8.943,1094 13.344,1095 1.351,1096 16.428,1097 3.086,1098 10.321,1099 12.838,1100 1.257,1101 20.158,1102 10.254,1103 3.332,1104 1.262,1105 18.255,1106 2.974,1107 11.259,1108 14.112,1109 0.441,1110 22.529,1111 11.228,1112 2.759,1113 12.102,1114 20.101,1115 2.894,1116 12.475,1117 15.701,1118 1.057,1119 25.028,1120 12.446,1121 2.656,1122 8.666,1123 21.963,1124 4.656,1125 13.539,1126 17.104,1127 0.373,1128 27.472,1129 13.539,1130 2.625,1131 8.438,1132 23.838,1133 3.763,1134 14.722,1135 18.651,1136 0.881,1137 29.963,1138 14.731,1139 2.53,1140 7.392,1141 25.726,1142 3.703,1143 15.849,1144 20.118,1145 0.314,1146 32.436,1147 15.88,1148 2.392,1149 7.04,1150 27.624,1151 3.455,1152 17.027,1153 21.651,1154 0.728,1155 34.927,1156 17.07,1157 2.321,1158 6.935,1159 29.53,1160 3.211,1161 18.188,1162 23.152,1163 0.264,1164 37.412,1165 18.247,1166 56029,1167 82570,1168 37.443,1169 63.796,1170 79.095,1171 80.313,1172 79.754,1173 78.581,1174 78.529,1175 100.121,1176 8.938,1177 212.093,1178 76.17,1179 5.736,1180 5.658,1181 6.935,1182 5.441,1183 5.332,1184 7.656,1185 1.776,1186 19.506,1187 5.353,1188 14.452,1189 1.465,1190 1.487,1191 1.477,1192 1.455,1193 1.454,1194 1.854,1195 0.166,1196 3.928,1197 1.411,1198 4.154,1199 4.157,1200 4.128,1201 4.07,1202 7.427,1203 4.082,1204 3.937,1205 3.976,1206 3.859,1207 3.86,1208 5.122,1209 3.854,1210 3.901,1211 3.924,1212 3.841,1213 3.824,1214 4.837,1215 3.825,1216 3.863,1217 3.888,1218 3.799,1219 3.789,1220 4.813,1221 3.788,1222 3.796,1223 3.85,1224 3.679,1225 3.642,1226 4.754,1227 3.627,1228 3.757,1229 3.816,1230 3.606,1231 3.58,1232 4.622,1233 3.592,1234 3.585,1235 3.658,1236 3.436,1237 3.409,1238 4.423,1239 3.404,1240 3.446,1241 3.477,1242 3.364,1243 3.302,1244 4.302,1245 3.312,1246 0.088,1247 0.068,1248 0.13,1249 0.08,1250 0.062,1251 4.736,1252 0.086,1253 3.658,1254 0.017,1255 7.044,1256 0.224,1257 4.338,1258 0.062,1259 3.332,1260 4.656,1261 0.916,1262 12.102,1263 3.353,1264 1.964,1265 1.95,1266 2.062,1267 2.038,1268 1.392,1269 2.041,1270 1.917,1271 1.885,1272 2.044,1273 2.023,1274 1.255,1275 2.036,1276 1.892,1277 1.876,1278 2.021,1279 1.999,1280 1.209,1281 2,1282 1.865,1283 1.845,1284 1.984,1285 1.99,1286 1.177,1287 1.988,1288 1.775,1289 1.715,1290 1.978,1291 1.945,1292 1.11,1293 1.957,1294 1.732,1295 1.67,1296 1.943,1297 1.921,1298 1.066,1299 1.941,1300 1.578,1301 1.51,1302 1.838,1303 1.786,1304 1.058,1305 1.807,1306 1.42,1307 1.407,1308 1.664,1309 1.637,1310 0.917,1311 1.637,1312 4.691,1314 5.974,1315 2.398,1316 7.448,1317 4.844,1318 9.012,1319 7.066,1320 10.627,1322 2.197,1328 13.527,1330 17.444,1333 4.733,1340 59.733,1341 132.026,1342 309.273,1343 437.611,1344 532.807,1345 567.437,1346 571.437,1347 93.624,1348 9.262,1349 64.38,1350 64.38,1351 35,1352 12.98,1353 4.907,1354 4,1355 78.572,1356 368,1357 438,1358 0.096,1359 361.875,1360 635.49,1361 874.734,1362 216514,1364 33.677,1365 0.687,1366 0.585,1367 33.677,1368 28.65,1369 24.136,1370 0.447,1371 0.328,1372 17.472,1373 23.325,1374 17.091,1375 14.147,1376 24.136,1377 17.688,1378 20.585,1379 0.29,1380 0.181,1381 20.585,1382 12.822,1383 17.24,1384 0.187,1385 0.099,1386 17.24,1387 9.084,1388 14.282,1389 0.12,1390 0.053,1391 14.282,1392 6.319,1393 11.653,1394 0.077,1395 0.028,1396 11.653,1397 4.295,1398 0.161,1399 150.337,1400 0.163,1401 44.142,1402 0.239,1403 250,1404 665.968,1405 270.106,1406 632.14,1407 872.53,1408 600,1409 288,1410 635.328,1411 309.606,1412 642.044,1413 941.6,1414 606,1415 4.409}
{0 CHEMBL2160226,1 1.389,2 22.043,3 9.314,4 86.754,5 182.642,6 7.032,7 0.56,8 4.545,9 4.656,10 4.061,11 4.104,12 5.61,13 4.069,14 5.085,15 5.257,16 4.388,17 4.48,18 6.122,19 4.42,20 5.329,21 5.53,22 4.447,23 4.613,24 6.308,25 4.527,26 5.425,27 5.651,28 4.434,29 4.611,30 6.423,31 4.519,32 5.37,33 5.587,34 4.426,35 4.629,36 6.358,37 4.533,38 5.412,39 5.631,40 4.427,41 4.672,42 6.389,43 4.559,44 5.447,45 5.681,46 4.297,47 4.64,48 6.356,49 4.502,50 5.369,51 5.623,52 4.184,53 4.539,54 6.209,55 4.384,56 0.041,57 1.149,58 18.848,59 8.702,60 11.572,61 11.271,62 0.432,63 1.882,64 35.102,65 14.196,66 42.968,67 18.925,68 0.338,69 2.278,70 46.178,71 18.682,72 53.4,73 24.784,74 0.654,75 2.435,76 52.914,77 19.743,78 87.934,79 26.407,80 0.501,81 2.374,82 48.924,83 19.118,84 69.451,85 25.698,86 0.483,87 2.484,88 50.62,89 20.41,90 72.748,91 27.685,92 0.623,93 2.526,94 53.684,95 20.858,96 83.871,97 28.277,98 0.504,99 2.342,100 49.612,101 19.713,102 63.627,103 27.549,104 29,105 67,106 0.206,107 0.505,108 0.703,109 0.838,110 0.878,111 0.878,112 3.853,113 0.957,114 -6.15,115 -6,116 -5.58,121 44.3,122 1,123 5,126 2,127 3,144 16,145 6,146 2,154 2,159 1,161 1,176 24,179 1,180 13,183 2,187 26,192 15,200 21,205 1,206 15,211 2,214 18,218 1,219 12,224 2,227 26,231 1,232 10,237 1,239 34,243 1,244 3,247 1,251 31,255 2,256 6,264 23,269 7,274 1,277 16,281 5400,282 31.421,283 31.421,284 31.421,285 31.421,286 31.421,287 27.92,288 24.506,289 19.05,290 31.836,291 24.67,292 24.67,293 24.67,294 24.67,295 24.67,296 19.294,297 26.553,298 9.093,299 25.252,300 5.071,301 3.051,302 1.71,303 0.796,304 0.526,305 0.526,306 4.556,313 2192,314 5,317 127.069,318 675.37,321 242.798,325 3.17,326 37.003,329 0.5,330 0.5,331 0.67,332 0.7,333 0.5,334 0.67,335 0.5,336 0.58,337 98,338 1014,339 4.736,340 3.66,341 7.044,342 4.338,343 3.331,344 4.656,345 2.186,346 12.102,347 3.353,348 4.142,349 3.658,350 6.068,351 3.755,352 2.761,353 3.753,354 0.916,355 8.655,356 2.771,357 4.105,358 3.053,359 5.992,360 3.723,361 2.746,362 3.702,363 0.86,364 8.437,365 2.661,366 4.071,367 2.984,368 5.681,369 3.638,370 2.652,371 3.688,372 0.366,373 7.996,374 2.618,375 3.735,376 2.876,377 5.352,378 3.38,379 2.451,380 3.188,381 0.172,382 6.916,383 2.322,384 3.672,385 2.632,386 5.29,387 3.331,388 2.355,389 2.968,391 6.815,392 2.261,393 3.619,394 2.583,395 5.198,396 3.256,397 2.27,398 2.886,400 6.258,401 2.2,402 3.378,403 2.504,404 4.936,405 3.123,406 2.167,407 2.515,409 5.594,410 2.055,411 3.212,412 2.172,413 4.862,414 2.85,415 1.861,416 2.507,418 5.467,419 1.835,420 3.09,421 1.911,422 4.585,423 2.783,424 1.791,425 2.283,427 4.814,428 1.776,429 3.032,430 1.878,431 4.47,432 2.724,433 1.747,434 2.175,436 4.202,437 1.695,438 2.83,439 1.728,440 4.016,441 2.539,442 1.547,443 1.867,445 3.675,446 1.533,447 2.747,448 1.606,449 3.854,450 2.369,451 1.395,452 1.815,454 2.946,455 1.353,456 2.659,457 1.497,458 3.61,459 2.252,460 1.246,461 1.724,463 2.917,464 1.252,465 2.588,466 1.283,467 3.519,468 2.179,469 1.187,470 1.553,472 2.74,473 1.175,474 21.967,475 0.478,476 0.938,477 0.02,478 58.25,479 1.266,480 30,481 0.652,482 28.25,483 0.614,484 44.333,485 0.964,486 49.433,487 0.562,488 50.164,489 1.091,490 11.578,491 0.252,492 10.828,493 0.235,494 0.099,496 0.291,501 0.763,502 1.227,503 0.835,504 1.116,505 0.599,506 1.003,507 0.856,508 0.961,509 0.911,510 0.971,511 0.555,512 0.942,513 1.064,514 1.07,515 0.956,516 1.064,517 0.798,518 1.008,519 1.254,520 0.919,521 0.953,522 0.899,523 1.154,524 0.888,525 1.079,526 0.942,527 0.965,528 0.94,529 1.121,530 0.937,531 0.864,532 1.037,533 0.982,534 1.048,535 0.985,536 1.034,537 1.07,538 0.955,539 1.11,540 1.014,541 1.156,542 1.062,543 0.639,544 1.03,545 0.965,546 1.062,547 0.468,548 1.059,549 8,550 0.193,551 4,552 2.917,553 2.419,554 1.573,555 0.791,556 0.63,557 0.498,558 0.273,559 49815,560 122574,561 2.08,562 47.7,563 9,564 28,567 1,569 4,572 1.823,573 1.971,574 4.313,575 -0.479,582 122.212,583 1.389,584 3.409,585 4.749,586 5.664,587 5.934,588 5.934,589 3.759,590 5.219,591 5.496,592 4.576,593 4736.15,594 9.688,595 105923,600 568.43,601 1.299,602 5.466,603 0.16,604 0.005,605 0.06,606 0.042,607 0.036,608 0.023,609 0.012,610 0.011,611 0.01,612 0.006,613 0.365,614 0.17,615 0.5,616 0.828,617 282.681,619 -0.093,620 0.056,621 -0.044,622 -0.022,623 0.005,624 0.115,625 0.129,626 0.043,627 0.041,628 0.127,629 0.038,630 -0.038,631 -0.068,632 0.018,633 -0.052,634 0.042,635 -0.015,636 -0.032,637 0.06,638 0.063,639 0.082,640 0.039,641 0.085,642 -0.052,643 0.063,644 0.019,645 0.058,646 -0.005,647 0.049,648 0.02,649 -0.039,650 -0.016,651 -0.04,652 0.013,653 -0.033,654 -0.081,655 0.026,656 -0.123,657 -0.023,658 -0.143,659 -0.072,660 0.1,661 -0.063,662 0.003,663 -0.065,664 0.067,665 -0.048,666 2.13,667 6.617,668 0.587,669 78.121,670 0.994,671 1.118,672 4.924,673 24.242,674 0.665,675 3.932,676 4.22,677 4.466,678 4.727,679 4.97,680 5.063,681 5.182,682 5.338,683 5.394,684 5.425,685 12.652,686 0.627,687 618.83,688 3.932,689 5.46,690 6.293,691 7.157,692 8.015,693 8.892,694 9.764,695 10.651,696 11.534,697 12.428,698 2.3,701 1,705 1,714 2,715 16,718 1,720 8,722 28,727 1,737 1,739 1,741 88,743 30,744 4,745 50,747 92,748 39,749 26,750 8,751 16,752 1,756 5,757 6,763 1,770 5,772 28,773 11,777 2,782 2,786 2,792 1,793 42,794 7,795 1,796 7,802 2,808 0.8,809 5,828 1,829 4,832 1,855 1,859 4,864 3,868 46,876 8,877 1,878 2,881 1,893 5.7,896 2,898 3,901 23.333,902 16.617,903 10.333,904 5.504,907 5.225,908 1.59,909 0.976,910 11.799,911 14.077,912 4.205,913 4.777,914 5.356,915 5.962,916 6.535,917 6.859,918 7.287,919 7.758,920 8.081,921 8.424,922 1,923 69,924 17.058,926 7.102,927 0.026,929 7.652,931 32.961,933 26.632,936 2.152,937 99,941 482.615,942 249.883,943 21.135,945 81.797,948 249.883,949 564.412,950 21.135,951 25.618,952 39.487,953 151.62,954 55.423,955 63.619,956 17.048,957 482.615,959 482.615,960 271.018,961 81.797,964 435.531,965 128.881,968 51.437,969 219.581,972 482.615,973 102.932,974 249.883,977 482.615,978 72.645,979 180.362,980 18.011,981 81.797,982 482.615,983 102.932,984 249.883,986 0.568,987 0.324,988 0.173,989 0.099,990 28,991 13,992 0.174,993 16,994 1,995 1.074,996 5.712,997 445.162,998 0.074,999 27,1000 246.084,1005 33.151,1006 16.373,1007 9.175,1008 1.508,1009 102.932,1010 30.778,1013 6.219,1015 6.221,1017 18.011,1018 835.43,1019 66,1024 25.069,1028 -0.513,1031 87.512,1032 98.348,1034 0.215,1035 0.528,1036 0.735,1037 0.877,1038 0.919,1039 0.919,1040 5.421,1041 2.167,1042 6.252,1043 6.258,1044 4.905,1045 5.466,1046 2.527,1047 7.026,1048 4.867,1049 6.607,1050 1.861,1051 7.782,1052 5.594,1053 4.369,1054 5.19,1055 1.847,1056 7.867,1057 4.322,1058 7.897,1059 1.791,1060 9.415,1061 5.467,1062 6.454,1063 7.648,1064 3.551,1065 10.999,1066 6.39,1067 9.225,1068 1.747,1069 11.112,1070 4.814,1071 6.77,1072 8.246,1073 3.603,1074 12.771,1075 6.714,1076 10.59,1077 1.547,1078 12.855,1079 4.202,1080 8.291,1081 10.159,1082 4.916,1083 15.443,1084 8.225,1085 11.981,1086 1.395,1087 14.632,1088 3.675,1089 9.031,1090 11.199,1091 5.291,1092 17.631,1093 8.986,1094 13.394,1095 1.246,1096 16.436,1097 2.946,1098 10.323,1099 12.88,1100 6.389,1101 20.166,1102 10.276,1103 3.331,1104 1.187,1105 18.263,1106 2.917,1107 11.283,1108 14.155,1109 6.93,1110 22.534,1111 11.26,1112 2.761,1113 12.102,1114 20.109,1115 2.74,1116 12.487,1117 15.736,1118 7.902,1119 25.033,1120 12.469,1121 2.746,1122 8.655,1123 21.97,1124 4.656,1125 13.56,1126 17.136,1127 8.539,1128 27.475,1129 13.563,1130 2.652,1131 8.437,1132 23.845,1133 3.753,1134 14.737,1135 18.677,1136 9.436,1137 29.966,1138 14.751,1139 2.451,1140 7.996,1141 25.733,1142 3.702,1143 15.868,1144 20.141,1145 10.13,1146 32.438,1147 15.899,1148 2.355,1149 6.916,1150 27.63,1151 3.688,1152 17.043,1153 21.67,1154 10.981,1155 34.928,1156 17.086,1157 2.27,1158 6.815,1159 29.535,1160 3.188,1161 18.203,1162 23.168,1163 11.71,1164 37.413,1165 18.261,1166 46995,1167 73941,1168 33.69,1169 58.512,1170 73.421,1171 75.536,1172 75.507,1173 72.93,1174 72.932,1175 95.732,1176 9.003,1177 201.359,1178 71.503,1179 5.699,1180 5.66,1181 6.935,1182 5.392,1183 5.331,1184 7.656,1185 3.889,1186 19.505,1187 5.353,1188 22.847,1189 1.468,1190 1.511,1191 1.51,1192 1.459,1193 1.459,1194 1.915,1195 0.18,1196 4.027,1197 1.43,1198 4.153,1199 4.156,1200 4.127,1201 4.071,1202 7.435,1203 4.082,1204 3.947,1205 3.979,1206 3.882,1207 3.863,1208 7.427,1209 3.862,1210 3.905,1211 3.93,1212 3.844,1213 3.847,1214 5.122,1215 3.843,1216 3.862,1217 3.886,1218 3.799,1219 3.79,1220 4.824,1221 3.788,1222 3.761,1223 3.818,1224 3.613,1225 3.639,1226 4.806,1227 3.623,1228 3.598,1229 3.667,1230 3.478,1231 3.411,1232 4.709,1233 3.409,1234 3.519,1235 3.584,1236 3.408,1237 3.319,1238 4.423,1239 3.324,1240 3.433,1241 3.465,1242 3.355,1243 3.217,1244 4.329,1245 3.259,1246 0.095,1247 0.073,1248 0.141,1249 0.087,1250 0.067,1251 4.736,1252 0.093,1253 3.66,1254 0.044,1255 7.044,1256 0.242,1257 4.338,1258 0.067,1259 3.331,1260 4.656,1261 2.186,1262 12.102,1263 3.353,1264 1.972,1265 1.957,1266 2.064,1267 2.039,1268 1.392,1269 2.047,1270 1.912,1271 1.885,1272 2.052,1273 2.028,1274 1.21,1275 2.035,1276 1.893,1277 1.876,1278 2.012,1279 1.999,1280 1.189,1281 1.999,1282 1.885,1283 1.861,1284 1.997,1285 1.964,1286 1.115,1287 1.977,1288 1.775,1289 1.715,1290 1.981,1291 1.927,1292 1.102,1293 1.951,1294 1.579,1295 1.512,1296 1.834,1297 1.798,1298 1.066,1299 1.809,1300 1.435,1301 1.42,1302 1.692,1303 1.727,1304 0.856,1305 1.716,1306 1.403,1307 1.335,1308 1.66,1309 1.617,1310 0.683,1311 1.626,1312 4.615,1314 5.911,1315 2.398,1316 7.393,1317 4.844,1318 8.965,1319 7.066,1320 10.589,1322 5.67,1328 8.04,1329 2.464,1330 11.253,1333 2.29,1340 55.153,1341 122.212,1342 299.969,1343 417.926,1344 498.391,1345 522.165,1346 522.165,1347 96.225,1348 8.851,1349 81.01,1350 81.01,1351 29,1352 12.957,1353 4.954,1354 4.087,1355 80.394,1356 358,1357 356,1358 0.105,1359 337.564,1360 593.31,1361 815.415,1362 130658,1364 32.305,1365 0.702,1366 0.584,1367 32.305,1368 26.883,1369 22.406,1370 0.448,1371 0.319,1372 15.764,1373 21.706,1374 15.299,1375 12.811,1376 22.406,1377 15.942,1378 19.532,1379 0.292,1380 0.174,1381 19.532,1382 11.663,1383 16.059,1384 0.187,1385 0.093,1386 16.059,1387 7.971,1388 13.063,1389 0.117,1390 0.049,1391 13.063,1392 5.486,1393 10.703,1394 0.075,1395 0.027,1396 10.703,1397 3.799,1398 0.178,1399 139.388,1400 0.172,1401 41.929,1402 0.257,1403 234,1404 656.656,1405 253.743,1406 630.18,1407 864.6,1408 592,1409 270,1410 636.442,1411 289.444,1412 645.264,1413 942.14,1414 606,1415 6.469}
{0 CHEMBL2160227,1 1.285,2 18.275,3 9.064,4 82.163,5 162.895,6 6.906,7 0.636,8 4.406,9 4.517,10 3.917,11 4.012,12 5.436,13 3.963,14 4.946,15 5.113,16 4.227,17 4.389,18 5.904,19 4.315,20 5.214,21 5.429,22 4.283,23 4.507,24 6.123,25 4.402,26 5.281,27 5.517,28 4.28,29 4.487,30 6.218,31 4.382,32 5.23,33 5.447,34 4.296,35 4.512,36 6.193,37 4.41,38 5.291,39 5.511,40 4.286,41 4.567,42 6.219,43 4.45,44 5.31,45 5.548,46 4.19,47 4.546,48 6.192,49 4.4,50 5.255,51 5.511,52 4.022,53 4.439,54 6.05,55 4.273,56 0.057,57 0.96,58 16.585,59 7.722,60 10.931,61 10.192,62 0.197,63 1.629,64 30.251,65 12.735,66 23.862,67 17.029,68 0.285,69 2.05,70 41.236,71 17.055,72 41.403,73 22.997,74 0.504,75 2.158,76 45.493,77 17.724,78 62.93,79 23.899,80 0.453,81 2.071,82 42.414,83 17.078,84 57.479,85 22.946,86 0.366,87 2.194,88 44.935,89 18.476,90 57.088,91 24.806,92 0.447,93 2.235,94 46.139,95 19.121,96 62.403,97 26.106,98 0.389,99 2.107,100 44.129,101 18.124,102 48.378,103 24.949,104 5,105 58,106 0.195,107 0.464,108 0.638,109 0.803,110 0.875,111 0.879,112 3.717,113 0.972,114 -7.2,115 -6.99,116 -6.47,121 46.8,123 5,126 1,127 3,144 18,145 5,146 1,154 2,159 1,176 25,180 11,187 26,192 13,200 20,205 1,206 12,214 16,218 1,219 12,227 26,232 7,239 32,243 1,244 6,251 31,255 1,256 5,264 25,269 4,277 17,281 3734,282 27.794,283 27.794,284 27.794,285 27.794,286 27.794,287 24.445,288 15.328,289 17.257,290 28.014,291 21.826,292 21.826,293 21.826,294 21.826,295 21.826,296 16.855,297 17.692,298 8.327,299 22.154,300 4.982,301 3.21,302 2.066,303 0.981,304 0.503,305 0.477,306 4.426,313 1603,314 4.359,317 96.408,318 547.653,321 186.514,325 2.647,326 26.229,329 0.5,330 0.5,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.51,337 83.5,338 731,339 4.737,340 3.657,341 7.045,342 4.339,343 3.333,344 4.657,345 0.916,346 12.107,347 3.353,348 4.115,349 3.066,350 6.072,351 3.739,352 2.737,353 3.736,354 0.86,355 8.703,356 2.751,357 4.087,358 2.943,359 6.009,360 3.651,361 2.657,362 3.671,363 0.172,364 8.511,365 2.634,366 3.927,367 2.88,368 5.484,369 3.597,370 2.625,371 3.455,373 7.392,374 2.559,375 3.632,376 2.459,377 5.361,378 3.236,379 2.277,380 3.057,382 6.843,383 2.177,384 3.384,385 2.367,386 5.107,387 3.117,388 2.165,389 2.712,391 5.769,392 2.055,393 3.294,394 2.182,395 4.819,396 2.953,397 1.953,398 2.364,400 5.518,401 1.945,402 3.025,403 1.896,404 4.437,405 2.807,406 1.817,407 2.268,409 4.139,410 1.794,411 3.002,412 1.734,413 4.125,414 2.543,415 1.556,416 2.213,418 3.687,419 1.532,420 2.881,421 1.621,422 3.857,423 2.52,424 1.513,425 1.976,427 3.476,428 1.522,429 2.811,430 1.528,431 3.621,432 2.452,433 1.458,434 1.914,436 3.078,437 1.448,438 2.746,439 1.461,440 3.6,441 2.346,442 1.363,443 1.792,445 2.923,446 1.334,447 2.596,448 1.323,449 3.546,450 2.246,451 1.256,452 1.626,454 2.777,455 1.242,456 2.5,457 1.293,458 3.482,459 2.107,460 1.102,461 1.5,463 2.569,464 1.107,465 2.5,466 1.056,467 3.435,468 2,469 1,470 1.5,472 2.262,473 1,474 19.4,475 0.485,476 0.657,477 0.016,478 52,479 1.3,480 28,481 0.7,482 24,483 0.6,484 36.201,485 0.905,486 41.8,487 0.543,488 41.451,489 1.036,490 10.226,491 0.256,492 9.461,493 0.237,494 0.043,496 0.253,501 0.754,502 1.141,503 0.85,504 1.056,505 0.616,506 0.975,507 1.097,508 1.049,509 0.999,510 1.031,511 0.709,512 1,513 1.105,514 1.05,515 0.948,516 1.027,517 0.835,518 0.98,519 1.313,520 0.902,521 0.902,522 0.876,523 1.2,524 0.852,525 1.215,526 0.93,527 0.948,528 0.923,529 1.26,530 0.911,531 1.247,532 0.974,533 1.026,534 0.99,535 1.349,536 0.988,537 0.958,538 1.009,539 1.036,540 1.035,541 0.843,542 1.043,543 0.954,544 0.974,545 1.031,546 1.015,547 0.729,548 1.03,549 5,550 0.135,551 2.889,552 2.417,553 1.997,554 1.066,555 0.621,556 0.395,557 0.276,558 0.142,559 32403,560 69773,561 2.138,562 48.1,563 6,564 27,569 4,572 1.793,573 2.069,574 4.049,575 -0.894,582 98.921,583 1.285,584 3.056,585 4.201,586 5.286,587 5.763,588 5.789,589 3.478,590 4.834,591 5.289,592 4.305,593 3357.99,594 9.297,595 64217.6,600 482.543,601 1.076,602 5.283,603 0.114,604 0.004,605 0.05,606 0.041,607 0.034,608 0.018,609 0.011,610 0.008,611 0.006,612 0.004,613 0.29,614 0.33,615 0.5,616 0.349,617 232.888,618 0.028,619 -0.069,620 0.062,621 -0.023,622 0.005,623 0.015,624 -0.056,625 0.016,626 -0.037,627 -0.038,628 0.013,629 -0.031,630 0.002,631 -0.053,632 0.041,633 -0.038,634 0.081,636 0.066,637 0.087,638 0.125,639 0.095,640 0.145,641 0.114,642 0.05,643 0.069,644 0.057,645 0.059,646 0.093,647 0.06,648 -0.078,649 0.013,650 -0.03,651 -0.001,652 -0.055,653 -0.009,654 0.043,655 -0.034,656 -0.048,657 -0.045,658 0.038,659 -0.053,660 0.002,661 -0.008,662 -0.04,663 -0.029,664 -0.031,665 -0.038,666 1.71,667 6.545,668 0.675,669 62.103,670 0.987,671 1.112,672 5.973,673 35.675,674 0.676,675 3.807,676 4.078,677 4.344,678 4.625,679 4.86,680 4.92,681 5.081,682 5.215,683 5.263,684 5.308,685 10.534,686 0.632,687 531.74,688 3.807,689 5.323,690 6.159,691 7.02,692 7.881,693 8.759,694 9.636,695 10.525,696 11.413,697 12.311,698 1.3,701 1,714 2,715 18,718 1,720 6,722 28,727 1,739 1,741 77,743 29,744 4,745 44,747 81,748 36,749 26,750 6,751 18,752 1,756 5,757 6,770 5,772 27,773 9,777 1,782 1,786 1,792 1,793 37,794 4,796 4,802 1,808 0.8,809 3,828 1,829 4,832 1,855 1,859 4,864 1,868 40,876 8,878 1,881 1,893 3.9,896 1,898 2,901 19.333,902 13.95,903 9,904 4.928,907 4.987,908 1.588,909 0.994,910 9.71,911 13.465,912 4.094,913 4.661,914 5.267,915 5.887,916 6.455,917 6.744,918 7.229,919 7.688,920 8.006,921 8.362,922 0.917,923 59,924 14.853,926 6.211,927 0.026,929 7.525,931 29.092,933 23.836,936 2.025,937 81,941 435.531,942 236.422,943 3.124,945 45.652,948 236.422,949 481.183,950 3.124,951 8.396,952 21.476,953 170.572,954 30.278,955 44.19,956 10.285,957 435.531,959 435.531,960 239.547,961 45.652,964 388.446,965 92.737,968 24.601,969 214.946,972 435.531,973 48.776,974 236.422,977 435.531,978 57.454,979 182.093,981 45.652,982 435.531,983 48.776,984 236.422,986 0.561,987 0.322,988 0.183,989 0.102,990 25,991 10,992 0.173,993 14,994 1,995 1.074,996 5.241,997 377.622,998 0.074,999 27,1000 204.877,1005 27.738,1006 14.002,1007 7.441,1008 1.526,1009 48.776,1010 35.594,1013 6.234,1015 4.813,1018 720.73,1019 59,1024 13.545,1028 -0.043,1031 75.989,1032 85.6,1034 0.205,1035 0.488,1036 0.67,1037 0.843,1038 0.92,1039 0.924,1040 5.293,1041 1.817,1042 6.098,1043 5.518,1044 4.762,1045 5.349,1046 1.382,1047 6.87,1048 4.739,1049 6.467,1050 1.556,1051 7.619,1052 4.139,1053 4.111,1054 4.945,1055 0.325,1056 7.711,1057 4.084,1058 7.745,1059 1.513,1060 9.251,1061 3.687,1062 6.293,1063 7.529,1064 1.115,1065 10.887,1066 6.258,1067 9.067,1068 1.458,1069 10.956,1070 3.476,1071 6.567,1072 8.074,1073 0.393,1074 12.698,1075 6.545,1076 10.429,1077 1.363,1078 12.712,1079 3.078,1080 8.142,1081 10.056,1082 0.921,1083 15.388,1084 8.113,1085 11.824,1086 1.256,1087 14.506,1088 2.923,1089 8.879,1090 11.082,1091 0.384,1092 17.601,1093 8.872,1094 13.244,1095 1.102,1096 16.327,1097 2.777,1098 10.2,1099 12.798,1100 0.764,1101 20.145,1102 10.191,1103 3.333,1104 1,1105 18.171,1106 2.569,1107 11.172,1108 14.076,1109 0.351,1110 22.525,1111 11.185,1112 2.737,1113 12.107,1114 20.032,1115 2.262,1116 12.394,1117 15.674,1118 0.634,1119 25.028,1120 12.411,1121 2.657,1122 8.703,1123 21.907,1124 4.657,1125 13.48,1126 17.081,1127 0.312,1128 27.475,1129 13.515,1130 2.625,1131 8.511,1132 23.795,1133 3.736,1134 14.67,1135 18.633,1136 0.525,1137 29.968,1138 14.712,1139 2.277,1140 7.392,1141 25.692,1142 3.671,1143 15.812,1144 20.104,1145 0.273,1146 32.441,1147 15.867,1148 2.165,1149 6.843,1150 27.597,1151 3.455,1152 16.996,1153 21.64,1154 0.433,1155 34.933,1156 17.06,1157 1.953,1158 5.769,1159 29.51,1160 3.057,1161 18.165,1162 23.144,1163 0.236,1164 37.418,1165 18.241,1166 30180,1167 44639,1168 30.394,1169 52.074,1170 64.824,1171 65.61,1172 65.32,1173 64.35,1174 64.295,1175 85.739,1176 3.898,1177 174.527,1178 63.517,1179 5.699,1180 5.657,1181 6.936,1182 5.391,1183 5.333,1184 7.657,1185 1.776,1186 19.51,1187 5.353,1188 12.568,1189 1.473,1190 1.491,1191 1.485,1192 1.462,1193 1.461,1194 1.949,1195 0.089,1196 3.967,1197 1.444,1198 4.152,1199 4.154,1200 4.126,1201 4.068,1202 7.427,1203 4.08,1204 3.931,1205 3.972,1206 3.85,1207 3.858,1208 5.122,1209 3.852,1210 3.882,1211 3.907,1212 3.819,1213 3.821,1214 4.812,1215 3.817,1216 3.859,1217 3.884,1218 3.795,1219 3.788,1220 4.757,1221 3.786,1222 3.758,1223 3.817,1224 3.607,1225 3.639,1226 4.72,1227 3.622,1228 3.584,1229 3.658,1230 3.433,1231 3.408,1232 4.416,1233 3.403,1234 3.41,1235 3.451,1236 3.334,1237 3.295,1238 4.289,1239 3.301,1240 3.35,1241 3.406,1242 3.179,1243 3.166,1244 4.257,1245 3.157,1246 0.108,1247 0.083,1248 0.16,1249 0.099,1250 0.076,1251 4.737,1252 0.106,1253 3.657,1254 0.021,1255 7.045,1256 0.275,1257 4.339,1258 0.076,1259 3.333,1260 4.657,1261 0.916,1262 12.107,1263 3.353,1264 1.965,1265 1.95,1266 2.062,1267 2.032,1268 1.392,1269 2.041,1270 1.917,1271 1.885,1272 2.051,1273 2.023,1274 1.209,1275 2.036,1276 1.892,1277 1.876,1278 2.021,1279 1.999,1280 1.177,1281 1.999,1282 1.867,1283 1.842,1284 1.986,1285 1.951,1286 1.11,1287 1.966,1288 1.775,1289 1.714,1290 1.981,1291 1.922,1292 1.066,1293 1.948,1294 1.577,1295 1.508,1296 1.838,1297 1.785,1298 1.054,1299 1.807,1300 1.406,1301 1.396,1302 1.664,1303 1.604,1304 0.857,1305 1.624,1306 1.349,1307 1.273,1308 1.481,1309 1.54,1310 0.669,1311 1.521,1312 4.489,1314 5.771,1315 2.398,1316 7.251,1317 4.844,1318 8.824,1319 7.066,1320 10.451,1322 2.195,1328 8.638,1330 6.104,1333 2.395,1340 48.648,1341 98.921,1342 235.35,1343 323.471,1344 406.994,1345 443.788,1346 445.788,1347 72.458,1348 8.478,1349 42.68,1350 42.68,1351 29,1352 12.838,1353 4.907,1354 4,1355 64.557,1356 252,1357 282,1358 0.119,1359 296.927,1360 515.47,1361 716.262,1362 78044,1364 27.572,1365 0.689,1366 0.581,1367 27.572,1368 23.221,1369 19.687,1370 0.447,1371 0.324,1372 14.147,1373 19.262,1374 13.792,1375 11.517,1376 19.687,1377 14.258,1378 16.779,1379 0.289,1380 0.179,1381 16.779,1382 10.365,1383 13.981,1384 0.184,1385 0.095,1386 13.981,1387 7.203,1388 11.847,1389 0.117,1390 0.051,1391 11.847,1392 5.113,1393 9.683,1394 0.076,1395 0.027,1396 9.683,1397 3.496,1398 0.198,1399 121.119,1400 0.181,1401 37.169,1402 0.3,1403 204,1404 510.852,1405 215.603,1406 499.704,1407 695.74,1408 472,1409 236,1410 516.124,1411 248.963,1412 527.738,1413 771.9,1414 498,1415 6.62}
{0 CHEMBL216159,1 1.496,2 18.05,3 5.584,4 31.177,5 155.425,6 6.859,7 0.395,8 4.455,9 4.579,10 3.94,11 3.943,12 5.501,13 3.916,14 5.02,15 5.207,16 4.249,17 4.325,18 5.999,19 4.267,20 5.268,21 5.49,22 4.393,23 4.475,24 6.252,25 4.401,26 5.325,27 5.547,28 4.38,29 4.478,30 6.323,31 4.404,32 5.377,33 5.607,34 4.32,35 4.487,36 6.381,37 4.393,38 5.367,39 5.608,40 4.194,41 4.471,42 6.33,43 4.342,44 5.374,45 5.646,46 4.048,47 4.38,48 6.32,49 4.235,50 5.225,51 5.491,52 3.863,53 4.252,54 6.113,55 4.098,56 0.057,57 1.123,58 18.246,59 7.691,60 12.014,61 10.342,62 0.383,63 1.758,64 34.302,65 12.47,66 38.814,67 17.45,68 0.591,69 2.162,70 44.862,71 15.274,72 63.309,73 22.284,74 0.584,75 2.261,76 47.919,77 15.112,78 70.055,79 22.253,80 0.993,81 2.283,82 51.558,83 15.844,84 93.321,85 23.124,86 0.677,87 2.236,88 50.353,89 16.671,90 81.162,91 24.354,92 0.745,93 2.097,94 52.058,95 16.376,96 105.307,97 24.083,98 0.631,99 1.81,100 44.668,101 14.433,102 85.61,103 20.946,104 35,105 57,106 0.229,107 0.523,108 0.695,109 0.805,110 0.85,111 0.866,112 3.717,113 0.983,114 -3.99,115 -3.95,116 -3.74,121 38.8,123 10,126 3,127 1,144 6,145 3,146 4,148 2,160 2,173 1,176 15,180 8,183 2,185 5,187 14,191 2,192 11,195 1,197 9,200 9,205 1,206 7,209 1,211 9,214 9,218 2,219 4,222 3,224 9,227 14,231 1,232 4,235 1,237 5,239 13,243 1,244 9,249 3,251 13,256 7,261 1,264 13,269 5,272 1,273 1,277 13,281 3328,282 27.629,283 27.629,284 27.629,285 27.629,286 27.629,287 25.37,288 27.59,289 16.718,290 28.272,291 21.061,292 21.061,293 21.061,294 21.061,295 21.061,296 17.218,297 23.233,298 7.691,299 21.76,300 4.826,301 2.9,302 1.773,303 1.054,304 0.757,305 0.653,306 4.413,312 1,313 1549,314 4.848,318 497.957,322 388.503,325 2.645,326 40.204,329 0.75,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.71,337 87,338 722,339 4.641,340 3.582,341 6.83,342 4.208,343 3.227,344 4.564,345 1.886,346 11.349,347 3.165,348 4.454,349 3.572,350 6.547,351 4.051,352 3.093,353 4.141,354 1.058,355 10.344,356 2.971,357 3.921,358 3.35,359 5.982,360 3.589,361 2.606,362 3.438,363 0.86,364 8.37,365 2.534,366 3.915,367 3.314,368 5.955,369 3.524,370 2.532,371 3.272,372 0.86,373 8.294,374 2.512,375 3.673,376 2.666,377 5.389,378 3.399,379 2.391,380 2.924,381 0.86,382 6.754,383 2.4,384 3.488,385 2.555,386 5.19,387 3.089,388 2.122,389 2.783,391 6.118,392 2.046,393 3.355,394 2.314,395 5.021,396 2.972,397 2.061,398 2.604,400 6.023,401 1.867,402 2.951,403 2.098,404 4.341,405 2.849,406 1.858,407 2.141,409 4.158,410 1.841,411 2.937,412 1.912,413 4.116,414 2.557,415 1.584,416 2.01,418 3.605,419 1.535,420 2.799,421 1.778,422 3.909,423 2.512,424 1.523,425 1.801,427 3.329,428 1.505,429 2.602,430 1.63,431 3.846,432 2.345,433 1.347,434 1.635,436 3.318,437 1.343,438 2.489,439 1.62,440 3.685,441 2.296,442 1.316,443 1.488,445 2.902,446 1.284,447 2.432,448 1.449,449 3.594,450 2.242,451 1.247,452 1.409,454 2.848,455 1.24,456 2.155,457 1.35,458 3.57,459 2.028,460 1.093,461 1.137,463 2.466,464 1.021,465 2.132,466 1.245,467 3.404,468 1.912,469 1,470 1.091,472 2.146,473 0.895,474 18.767,475 0.469,476 0.708,477 0.018,478 46,479 1.15,480 21,481 0.525,482 25,483 0.625,484 41.981,485 1.05,486 45.433,487 0.568,488 37.305,489 0.933,490 8.772,491 0.219,492 10.777,493 0.269,494 0.115,496 0.293,501 0.787,502 1.309,503 0.869,504 1.217,505 0.576,506 1.075,507 1.007,508 1.134,509 0.939,510 1.029,511 0.65,512 0.983,513 0.793,514 1.142,515 0.848,516 1.008,517 0.858,518 0.944,519 1.092,520 1.181,521 1.029,522 1.075,523 1.176,524 1.035,525 1.215,526 0.997,527 1.139,528 0.973,529 1.075,530 1.027,531 1.001,532 1.107,533 1.135,534 1.131,535 1.129,536 1.147,537 1.155,538 0.89,539 1.061,540 0.93,541 1.657,542 0.972,543 1.22,544 0.903,545 1.13,546 0.958,547 1.675,548 1.021,549 6,550 0.149,551 4.222,552 2.563,553 2.484,554 1.278,555 0.709,556 0.372,557 0.271,558 0.162,559 32641,560 81163,561 2.05,562 50,563 14,564 17,567 3,568 4,569 2,572 1.79,573 1.935,574 4.015,575 0.731,582 119.687,583 1.496,584 3.422,585 4.549,586 5.268,587 5.565,588 5.669,589 3.355,590 4.672,591 5.303,592 4.319,593 3369.19,594 9.29,595 67486,600 505.754,601 1.329,602 5.26,603 0.14,604 0.005,605 0.074,606 0.04,607 0.041,608 0.023,609 0.015,610 0.009,611 0.008,612 0.005,613 0.359,614 0.33,615 0.75,616 0.788,617 235.276,618 -0.001,619 -0.035,620 0.052,621 -0.044,622 0.015,623 0.005,624 -0.024,625 -0.017,626 0.03,627 0.04,628 0.049,629 0.04,630 0.124,631 -0.081,632 0.125,633 0.013,634 0.066,635 0.061,636 -0.039,637 -0.104,638 -0.033,639 -0.092,640 -0.068,641 -0.063,642 -0.021,643 0.041,644 -0.121,645 -0.011,646 -0.015,647 -0.071,648 -0.038,649 -0.094,650 -0.153,651 -0.142,652 -0.033,653 -0.161,654 -0.104,655 0.041,656 -0.057,657 0.016,658 -0.119,659 -0.007,660 -0.164,661 0.027,662 -0.13,663 0.004,664 -0.202,665 -0.048,666 1.855,667 5.59,668 0.5,669 49.88,670 0.999,671 1.131,672 2.765,673 7.644,674 0.638,675 3.784,676 4.06,677 4.344,678 4.595,679 4.836,680 4.89,681 4.97,682 4.97,683 4.984,684 4.844,685 11.077,686 0.602,687 548.75,688 3.784,689 5.303,690 6.146,691 7.011,692 7.877,693 8.754,694 9.63,695 10.513,696 11.396,697 12.283,698 5,703 1,705 2,708 1,714 2,715 6,716 1,720 7,722 17,729 1,739 3,741 80,743 19,744 2,745 43,747 83,748 31,749 15,750 6,751 6,752 1,756 4,757 7,767 4,770 10,772 17,773 14,777 2,782 2,786 2,793 40,794 9,795 3,796 9,802 4,806 1,808 0.5,809 5,822 1,829 4,833 2,859 2,864 3,868 40,876 11,877 3,878 3,893 6.3,896 2,898 3,901 20.667,902 15.033,903 9.278,904 5.079,907 3.229,908 1.393,909 0.956,910 11.308,911 11.446,912 3.998,913 4.543,914 5.128,915 5.695,916 6.268,917 6.56,918 6.873,919 7.08,920 7.336,921 7.178,922 1,923 64,924 14.86,926 6.148,927 0.026,929 7.696,931 28.7,933 23.126,936 2.196,937 87.833,941 435.531,942 158.699,943 70.573,945 83.29,948 158.699,949 518.82,950 70.573,951 32.649,952 63.35,953 56.857,954 94.373,955 65.332,957 435.531,959 435.531,960 229.272,961 83.29,964 411.989,965 106.832,968 68.251,969 126.347,970 34.674,972 435.531,973 153.862,974 158.699,977 435.531,978 69.192,979 89.507,980 53.787,981 100.075,982 435.531,983 153.862,984 158.699,986 0.56,987 0.339,988 0.19,989 0.107,990 23,991 11,992 0.169,993 14,994 2,995 1.2,996 5.126,997 364.69,998 0.2,999 20,1000 204.877,1005 29.945,1006 15.105,1007 7.804,1008 2,1009 153.862,1010 11.363,1011 4.85,1015 5.149,1017 53.787,1018 748.092,1019 53.5,1024 25.124,1028 -0.199,1031 79.949,1032 90.514,1034 0.237,1035 0.541,1036 0.719,1037 0.833,1038 0.88,1039 0.897,1040 5.222,1041 1.858,1042 6.103,1043 6.023,1044 4.745,1045 5.231,1046 2.596,1047 6.901,1048 4.688,1049 6.396,1050 1.584,1051 7.65,1052 4.158,1053 4.205,1054 5.075,1055 1.593,1056 7.818,1057 4.136,1058 7.696,1059 1.523,1060 9.306,1061 3.605,1062 6.312,1063 7.43,1064 3.144,1065 10.945,1066 6.207,1067 9.039,1068 1.347,1069 11.029,1070 3.329,1071 6.661,1072 8.159,1073 2.98,1074 12.734,1075 6.533,1076 10.42,1077 1.316,1078 12.796,1079 3.318,1080 8.181,1081 9.989,1082 4.066,1083 15.376,1084 8.029,1085 11.829,1086 1.247,1087 14.593,1088 2.902,1089 8.955,1090 11.118,1091 4.33,1092 17.514,1093 8.773,1094 13.259,1095 1.093,1096 16.412,1097 2.848,1098 10.24,1099 12.748,1100 5.191,1101 19.997,1102 10.038,1103 3.227,1104 1,1105 18.246,1106 2.466,1107 11.217,1108 14.069,1109 5.648,1110 22.284,1111 10.983,1112 3.093,1113 11.349,1114 20.092,1115 2.146,1116 12.411,1117 15.619,1118 6.399,1119 24.714,1120 12.156,1121 2.606,1122 10.344,1123 21.948,1124 4.564,1125 13.482,1126 17.032,1127 6.944,1128 27.067,1129 13.197,1130 2.532,1131 8.37,1132 23.811,1133 4.141,1134 14.644,1135 18.549,1136 7.64,1137 29.481,1138 14.337,1139 2.391,1140 8.294,1141 25.681,1142 3.438,1143 15.759,1144 20.008,1145 8.228,1146 31.864,1147 15.424,1148 2.122,1149 6.754,1150 27.556,1151 3.272,1152 16.912,1153 21.514,1154 8.895,1155 34.274,1156 16.554,1157 2.061,1158 6.118,1159 29.436,1160 2.924,1161 18.048,1162 22.995,1163 9.506,1164 36.673,1165 17.664,1166 31065,1167 49157,1168 28.72,1169 51,1170 61.759,1171 65.03,1172 65.09,1173 61.804,1174 61.953,1175 77.289,1176 11.048,1177 171.548,1178 60.026,1179 5.614,1180 5.582,1181 6.721,1182 5.249,1183 5.227,1184 7.564,1185 3.272,1186 18.88,1187 5.165,1188 20.44,1189 1.436,1190 1.512,1191 1.514,1192 1.437,1193 1.441,1194 1.797,1195 0.257,1196 3.989,1197 1.396,1198 4.114,1199 4.145,1200 4.075,1201 4.039,1202 7.431,1203 4.044,1204 3.96,1205 3.971,1206 3.925,1207 3.856,1208 7.427,1209 3.87,1210 3.791,1211 3.847,1212 3.656,1213 3.662,1214 4.987,1215 3.649,1216 3.732,1217 3.781,1218 3.615,1219 3.648,1220 4.952,1221 3.633,1222 3.638,1223 3.699,1224 3.526,1225 3.448,1226 4.58,1227 3.451,1228 3.463,1229 3.524,1230 3.367,1231 3.218,1232 4.462,1233 3.244,1234 3.327,1235 3.386,1236 3.195,1237 3.153,1238 4.42,1239 3.158,1240 3.303,1241 3.355,1242 3.144,1243 3.038,1244 4.296,1245 3.049,1246 0.108,1247 0.083,1248 0.159,1249 0.098,1250 0.075,1251 4.641,1252 0.106,1253 3.582,1254 0.044,1255 6.83,1256 0.264,1257 4.208,1258 0.074,1259 3.227,1260 4.564,1261 1.886,1262 11.349,1263 3.165,1264 2.069,1265 2.044,1266 2.155,1267 2.161,1268 1.432,1269 2.16,1270 1.89,1271 1.882,1272 2.039,1273 2.021,1274 1.392,1275 2.01,1276 1.789,1277 1.731,1278 1.954,1279 1.953,1280 1.164,1281 1.97,1282 1.754,1283 1.709,1284 1.949,1285 1.872,1286 1.144,1287 1.902,1288 1.601,1289 1.54,1290 1.844,1291 1.822,1292 1.074,1293 1.826,1294 1.372,1295 1.314,1296 1.607,1297 1.658,1298 0.827,1299 1.64,1300 1.284,1301 1.233,1302 1.59,1303 1.558,1304 0.757,1305 1.565,1306 1.227,1307 1.163,1308 1.571,1309 1.534,1310 0.623,1311 1.541,1312 4.466,1314 5.753,1316 7.249,1318 8.854,1320 10.523,1322 4.571,1328 9.931,1329 9.088,1330 15.957,1340 48.142,1341 119.687,1342 273.729,1343 363.883,1344 421.45,1345 445.225,1346 453.49,1347 94.019,1348 8.217,1349 110.81,1350 110.81,1351 24,1352 12.815,1353 4.322,1354 3.524,1355 74.251,1356 280,1357 206,1358 0.125,1359 296.444,1360 524.27,1361 715.083,1362 59656,1364 28.321,1365 0.708,1366 0.593,1367 28.321,1368 23.731,1369 19.55,1370 0.455,1371 0.328,1372 13.868,1373 18.696,1374 13.513,1375 11.293,1376 19.55,1377 14.089,1378 16.315,1379 0.286,1380 0.175,1381 16.315,1382 9.997,1383 13.987,1384 0.184,1385 0.096,1386 13.987,1387 7.289,1388 11.522,1389 0.118,1390 0.053,1391 11.522,1392 5.167,1393 9.541,1394 0.076,1395 0.03,1396 9.541,1397 3.689,1398 0.212,1399 123.569,1400 0.187,1401 37.343,1402 0.308,1403 200,1404 599.321,1405 220.28,1406 563.258,1407 764.41,1408 530,1409 233,1410 551.003,1411 254.143,1412 556.899,1413 810.85,1414 521,1415 8.281}
{0 CHEMBL2163795,1 1.453,2 9.769,3 3.646,4 13.294,5 99.974,6 7.342,7 0.586,8 3.986,9 4.079,10 3.556,11 3.493,12 5.076,13 3.49,14 4.532,15 4.691,16 3.902,17 3.88,18 5.519,19 3.872,20 4.656,21 4.784,22 4.098,23 4.097,24 5.709,25 4.07,26 4.829,27 4.983,28 4.067,29 4.171,30 5.821,31 4.107,32 4.965,33 5.17,34 3.936,35 4.144,36 5.862,37 4.048,38 4.858,39 5.079,40 3.766,41 4.031,42 5.712,43 3.911,44 4.808,45 5.072,46 3.568,47 3.87,48 5.596,49 3.734,50 4.589,51 4.851,52 3.338,53 3.642,54 5.389,55 3.501,56 0.018,57 0.633,58 10.115,59 4.739,60 9.188,61 5.776,62 0.341,63 1.023,64 20.45,65 7.492,66 24.529,67 9.172,68 0.342,69 1.22,70 21.315,71 9.16,72 23.202,73 11.502,74 0.214,75 1.416,76 25.907,77 11.084,78 26.001,79 14.141,80 0.573,81 1.523,82 32.944,83 12.095,84 41.793,85 15.747,86 0.362,87 1.392,88 29.277,89 11.145,90 31.487,91 15.008,92 0.384,93 1.28,94 29.534,95 10.363,96 33.799,97 14.393,98 0.266,99 1.011,100 23.574,101 8.541,102 26.633,103 11.81,104 33,105 42,106 0.246,107 0.534,108 0.667,109 0.736,110 0.764,111 0.816,112 3.305,113 0.892,114 -3.5,115 -3.48,116 -3.32,121 43.8,123 1,126 4,127 1,144 5,145 4,146 4,147 1,148 1,176 8,180 4,187 9,189 4,191 2,192 8,200 7,203 3,206 6,208 1,214 7,216 2,219 3,221 2,227 7,229 1,232 4,234 1,239 5,244 7,251 2,256 6,268 1,269 2,281 864,282 18.152,283 18.152,284 18.152,285 18.152,286 18.152,287 16.23,288 21.015,289 10.271,290 18.931,291 14.049,292 14.049,293 14.049,294 14.049,295 14.049,296 10.748,297 21.158,298 4.481,299 14.925,300 4.132,301 2.44,302 1.654,303 1.245,304 1.079,305 0.777,306 4.005,310 1,311 1,312 1,313 548,314 3,318 174.783,322 213.106,325 1.633,326 17.597,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 56.5,338 254,339 4.671,340 3.398,341 6.814,342 4.243,343 3.271,344 4.592,345 0.86,346 11.309,347 3.182,348 4.449,349 3.291,350 6.629,351 4.035,352 3.066,353 4.162,354 0.86,355 10.619,356 2.975,357 4.071,358 3.018,359 6.132,360 3.664,361 2.732,362 3.6,363 0.86,364 8.987,365 2.539,366 3.698,367 2.59,368 5.741,369 3.294,370 2.338,371 3.11,372 0.86,373 7.655,374 2.222,375 3.474,376 2.306,377 5.516,378 3.038,379 2.089,380 2.841,382 6.883,383 1.978,384 3.28,385 2.201,386 4.96,387 2.901,388 1.931,389 2.573,391 5.66,392 1.868,393 3.068,394 2.167,395 4.722,396 2.678,397 1.733,398 2.253,400 4.897,401 1.633,402 2.662,403 1.871,404 4.315,405 2.35,406 1.437,407 1.702,409 3.784,410 1.302,411 2.21,412 1.363,413 3.796,414 1.912,415 1.006,416 1.166,418 2.426,419 0.902,420 2.014,421 1.115,422 3.353,423 1.687,424 0.776,425 0.937,427 1.58,428 0.7,429 1.766,430 1.024,431 3.095,432 1.487,433 0.568,434 0.661,436 1.125,437 0.517,438 1.521,439 0.897,440 2.92,441 1.249,442 0.393,443 0.428,445 0.564,446 0.333,447 1.423,448 0.659,449 2.704,450 1.147,451 0.282,452 0.314,454 0.394,455 0.242,456 1.064,457 0.168,458 2.652,459 0.711,460 -0.225,461 -0.271,463 -0.444,464 -0.208,465 1.06,466 0.019,467 2.45,468 0.701,469 -0.258,470 -0.327,472 -0.631,473 -0.247,474 12.233,475 0.471,476 0.564,477 0.022,478 34.25,479 1.317,480 17,481 0.654,482 17.25,483 0.663,484 21.122,485 0.812,486 28.267,487 0.589,488 25.932,489 0.997,490 7.107,491 0.273,492 5.587,493 0.215,494 0.163,496 0.401,501 0.88,502 1.344,503 0.767,504 1.201,505 0.817,506 1.001,507 1.489,508 0.724,509 0.857,510 0.601,511 1.243,512 0.604,513 0.789,514 1.083,515 0.854,516 1.013,517 0.674,518 0.951,519 0.886,520 1.331,521 1.072,522 1.303,523 0.912,524 1.237,525 1.179,526 1.001,527 1.151,528 1.003,529 1.255,530 1.064,531 0.878,532 1.113,533 1.103,534 1.139,535 0.983,536 1.157,537 0.91,538 0.883,539 0.965,540 0.911,541 0.889,542 0.935,543 0.846,544 0.954,545 0.947,546 1.008,547 0.824,548 0.996,549 5,550 0.132,551 3.556,552 1.875,553 2.538,554 1.049,555 0.704,556 0.413,557 0.287,558 0.183,559 7125,560 18207,561 2.101,562 45.8,564 19,566 1,569 2,572 1.694,573 1.95,574 3.267,575 -0.798,577 1,582 69.732,583 1.453,584 3.145,585 3.931,586 4.34,587 4.506,588 4.808,589 2.777,590 3.873,591 4.669,592 3.368,593 1094.46,594 8.111,595 12887.8,597 1,599 1,600 268.078,601 1.46,602 4.624,603 0.172,604 0.011,605 0.085,606 0.038,607 0.055,608 0.027,609 0.022,610 0.016,611 0.014,612 0.011,613 0.451,614 0.5,615 1,616 1.012,617 124.398,618 -0.011,619 -0.223,620 0.089,621 -0.141,622 0.014,623 -0.031,624 -0.232,625 0.337,626 0.122,627 0.383,628 -0.137,629 0.331,630 0.122,631 0.016,632 0.036,633 0.02,634 0.171,635 0.016,636 -0.031,637 -0.279,638 -0.172,639 -0.28,640 -0.062,641 -0.26,642 -0.111,643 -0.011,644 -0.169,645 -0.03,646 -0.222,647 -0.101,648 -0.043,649 -0.12,650 -0.146,651 -0.159,652 -0.12,653 -0.17,654 -0.056,655 0.071,656 0.036,657 0.042,658 0.007,659 0.058,660 -0.013,661 -0.024,662 0.05,663 -0.043,664 0.078,665 0.009,666 0.928,667 2.102,668 0.692,669 22.036,670 1.004,671 1.119,672 2.274,673 5.172,674 0.663,675 3.401,676 3.761,677 4.143,678 4.466,679 4.796,680 4.97,681 5.182,682 5.398,683 5.602,684 5.649,685 5.622,686 0.634,687 352.44,688 3.401,689 4.963,690 5.861,691 6.774,692 7.69,693 8.611,694 9.532,695 10.455,696 11.379,697 12.304,698 2.1,708 1,714 2,715 6,720 7,721 1,722 17,739 4,741 48,743 17,744 2,745 29,747 51,748 21,749 15,750 8,751 4,756 4,757 10,767 1,770 1,772 15,773 6,789 1,790 1,793 22,794 4,796 5,802 1,803 1,808 0.25,809 4,822 1,829 4,833 3,859 1,864 4,868 26,876 2,878 4,893 8.3,898 4,901 13.333,902 10.167,903 5.944,904 2.715,907 3.638,908 1.454,909 0.988,910 4.568,911 11.657,912 3.651,913 4.331,914 5.039,915 5.698,916 6.371,917 6.818,918 7.325,919 7.84,920 8.348,921 8.675,922 0.857,923 50,924 9.567,926 3.992,927 0.026,929 7.577,931 18.521,933 15.122,936 2.077,937 54,940 1,941 258.964,942 139.849,943 1.899,945 44,948 139.849,949 302.964,950 1.899,951 43.532,952 4.64,953 47.381,954 13.67,955 88.295,957 247.193,959 258.964,960 141.748,961 44,964 235.422,965 67.542,968 16.444,969 123.404,970 1.899,972 258.964,973 45.899,974 139.849,977 258.964,978 39.888,979 101.86,981 44,982 258.964,983 45.899,984 139.849,986 0.577,987 0.377,988 0.218,989 0.122,990 22,991 10,992 0.078,993 4,994 3,995 1.333,996 3.615,997 236.91,998 0.333,999 18,1000 122.211,1005 17.28,1006 6.874,1007 2.781,1008 2.149,1009 44,1010 12.484,1015 6.612,1016 2.262,1018 444.712,1019 37.5,1031 48.189,1032 53.696,1034 0.26,1035 0.563,1036 0.704,1037 0.777,1038 0.807,1039 0.861,1040 4.907,1041 1.437,1042 5.866,1043 4.897,1044 4.443,1045 5.017,1046 1.934,1047 6.758,1048 4.344,1049 6.145,1050 1.006,1051 7.476,1052 3.784,1053 4.111,1054 5.007,1056 7.803,1057 3.989,1058 7.493,1059 0.776,1060 9.183,1061 2.426,1062 6.116,1063 7.353,1064 1.682,1065 10.932,1066 5.951,1067 8.88,1068 0.568,1069 10.946,1070 1.58,1071 6.608,1072 8.149,1074 12.76,1075 6.412,1076 10.299,1077 0.393,1078 12.743,1079 1.125,1080 8.076,1081 9.984,1082 1.444,1083 15.414,1084 7.856,1085 11.738,1086 0.282,1087 14.562,1088 0.564,1089 8.938,1090 11.147,1092 17.567,1093 8.685,1094 13.193,1095 -0.225,1096 16.398,1097 0.394,1098 10.206,1099 12.783,1100 1.222,1101 20.059,1102 9.933,1103 3.271,1104 -0.258,1105 18.246,1106 -0.444,1107 11.234,1108 14.122,1110 22.351,1111 10.931,1112 3.066,1113 11.309,1114 20.103,1115 -0.631,1116 12.428,1117 15.678,1118 1.019,1119 24.784,1120 12.104,1121 2.732,1122 10.619,1123 21.967,1124 4.592,1125 13.53,1126 17.102,1128 27.138,1129 13.178,1130 2.338,1131 8.987,1132 23.838,1133 4.162,1134 14.699,1135 18.625,1136 0.837,1137 29.551,1138 14.325,1139 2.089,1140 7.655,1141 25.714,1142 3.6,1143 15.834,1144 20.092,1146 31.933,1147 15.434,1148 1.931,1149 6.883,1150 27.594,1151 3.11,1152 16.997,1153 21.603,1154 0.677,1155 34.34,1156 16.573,1157 1.733,1158 5.66,1159 29.478,1160 2.841,1161 18.148,1162 23.091,1164 36.736,1165 17.698,1166 6925,1167 11151,1168 19.304,1169 31.818,1170 42.996,1171 44.663,1172 46.468,1173 43.071,1174 43.243,1175 56.676,1176 6.88,1177 131.766,1178 40.785,1179 5.554,1180 5.398,1181 6.363,1182 5.289,1183 5.271,1184 7.592,1185 1.72,1186 18.608,1187 5.182,1188 13.267,1189 1.483,1190 1.54,1191 1.602,1192 1.485,1193 1.491,1194 1.954,1195 0.237,1196 4.544,1197 1.406,1198 4.165,1199 4.19,1200 4.131,1201 4.086,1202 5.022,1203 4.094,1204 3.907,1205 3.917,1206 3.869,1207 3.837,1208 4.9,1209 3.842,1210 3.591,1211 3.626,1212 3.522,1213 3.403,1214 4.621,1215 3.425,1216 3.342,1217 3.39,1218 3.209,1219 3.166,1220 4.496,1221 3.167,1222 3.261,1223 3.322,1224 3.101,1225 3.025,1226 4.489,1227 3.033,1228 3.245,1229 3.312,1230 3.053,1231 2.954,1232 4.275,1233 2.963,1234 3.175,1235 3.253,1236 2.982,1237 2.908,1238 4.047,1239 2.909,1240 3.095,1241 3.175,1242 2.889,1243 2.877,1244 3.752,1245 2.868,1246 0.161,1247 0.117,1248 0.235,1249 0.146,1250 0.113,1251 4.671,1252 0.158,1253 3.398,1254 0.03,1255 6.814,1256 0.39,1257 4.243,1258 0.11,1259 3.271,1260 4.592,1261 0.86,1262 11.309,1263 3.182,1264 2.11,1265 2.089,1266 2.177,1267 2.209,1268 1.404,1269 2.2,1270 1.882,1271 1.871,1272 1.967,1273 1.978,1274 1.163,1275 1.972,1276 1.514,1277 1.476,1278 1.702,1279 1.739,1280 0.869,1281 1.724,1282 1.303,1283 1.257,1284 1.594,1285 1.551,1286 0.636,1287 1.565,1288 1.207,1289 1.143,1290 1.576,1291 1.524,1292 0.576,1293 1.54,1294 1.19,1295 1.114,1296 1.574,1297 1.52,1298 0.574,1299 1.537,1300 1.148,1301 1.064,1302 1.509,1303 1.419,1304 0.564,1305 1.451,1306 1.108,1307 1.025,1308 1.405,1309 1.319,1310 0.519,1311 1.356,1312 4.078,1314 5.425,1316 7.006,1318 8.695,1320 10.438,1322 6.667,1328 1.833,1330 21.993,1340 30.412,1341 69.732,1342 150.959,1343 188.694,1344 208.304,1345 216.304,1346 230.794,1347 32.517,1348 8.019,1349 40.8,1350 40.8,1351 24,1352 12.809,1353 4.17,1354 3.248,1355 37.921,1356 89,1357 86,1358 0.221,1359 183.46,1360 316.08,1361 439.402,1362 31467,1364 18.259,1365 0.702,1366 0.597,1367 18.259,1368 15.511,1369 12.694,1370 0.438,1371 0.297,1372 8.43,1373 11.99,1374 8.111,1375 6.774,1376 12.694,1377 8.627,1378 10.946,1379 0.261,1380 0.152,1381 10.946,1382 6.396,1383 10.38,1384 0.167,1385 0.083,1386 10.38,1387 5.145,1388 9.056,1389 0.105,1390 0.045,1391 9.056,1392 3.847,1393 7.873,1394 0.066,1395 0.025,1396 7.873,1397 2.942,1398 0.336,1399 81.199,1400 0.228,1401 24.439,1402 0.64,1403 142,1404 419.275,1405 155.929,1406 388.585,1407 542.38,1408 370,1409 175,1410 401.717,1411 190.677,1412 410.717,1413 604.49,1414 381,1415 5.772}
{0 CHEMBL2181431,1 1.488,2 13.353,3 5.239,4 27.445,5 132.428,6 7.102,7 0.486,8 4.262,9 4.373,10 3.781,11 3.777,12 5.391,13 3.754,14 4.788,15 4.963,16 4.091,17 4.163,18 5.772,19 4.115,20 5.043,21 5.24,22 4.236,23 4.358,24 6.024,25 4.282,26 5.18,27 5.4,28 4.227,29 4.436,30 6.097,31 4.331,32 5.28,33 5.512,34 4.222,35 4.486,36 6.179,37 4.365,38 5.298,39 5.534,40 4.136,41 4.481,42 6.147,43 4.336,44 5.317,45 5.589,46 4.013,47 4.397,48 6.097,49 4.234,50 5.178,51 5.445,52 3.908,53 4.251,54 5.999,55 4.104,56 0.091,57 0.896,58 14.289,59 6.258,60 19.868,61 8.116,62 0.221,63 1.445,64 26.004,65 9.896,66 26.409,67 13.399,68 0.408,69 1.823,70 34.159,71 13.061,72 46.86,73 18.072,74 0.364,75 2.035,76 39.755,77 15.162,78 51.407,79 21.31,80 0.556,81 2.165,82 45.012,83 16.751,84 67.817,85 23.486,86 0.454,87 2.171,88 45.784,89 17.638,90 60.594,91 24.539,92 0.475,93 2.118,94 48.419,95 17.437,96 65.759,97 24.977,98 0.485,99 1.848,100 42.305,101 14.564,102 61.191,103 20.852,104 27,105 50,106 0.237,107 0.557,108 0.755,109 0.845,110 0.861,111 0.866,112 3.56,113 0.936,114 -3.89,115 -3.85,116 -3.65,121 41.5,123 4,126 2,127 2,129 1,144 9,145 3,146 3,148 2,157 1,172 1,176 13,180 8,185 1,187 13,191 2,192 11,195 1,197 1,200 11,206 9,209 2,214 13,218 1,219 5,223 1,224 2,227 17,231 2,232 5,237 3,239 16,244 7,249 2,251 10,256 8,261 1,264 7,268 1,269 7,272 1,277 8,281 2292,282 23.593,283 23.593,284 23.593,285 23.593,286 23.593,287 21.045,288 28.787,289 14.173,290 24.194,291 18.128,292 18.128,293 18.128,294 18.128,295 18.128,296 14.406,297 31.23,298 6.473,299 18.893,300 4.534,301 2.523,302 1.274,303 0.712,304 0.608,305 0.577,306 4.259,312 1,313 970,314 3.606,318 401.395,322 162.702,325 1.765,326 26.929,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 73.5,338 454,339 4.511,340 3.631,341 6.915,342 4.233,343 3.258,344 4.132,345 1.697,346 11.66,347 3.18,348 4.261,349 3.628,350 6.197,351 3.83,352 2.872,353 3.922,354 1.277,355 9.223,356 2.746,357 4.108,358 3.17,359 6.077,360 3.767,361 2.82,362 3.576,363 0.86,364 8.811,365 2.677,366 3.71,367 2.99,368 5.724,369 3.331,370 2.351,371 3.118,372 0.86,373 7.544,374 2.289,375 3.56,376 2.613,377 5.244,378 3.237,379 2.265,380 2.871,381 0.494,382 6.531,383 2.199,384 3.353,385 2.515,386 5.22,387 3.106,388 2.159,389 2.512,391 6.363,392 2.039,393 3.111,394 2.424,395 4.786,396 2.794,397 1.824,398 2.256,400 5.178,401 1.77,402 3.07,403 2.224,404 4.245,405 2.562,406 1.608,407 2.213,409 3.988,410 1.531,411 2.868,412 1.88,413 4.213,414 2.488,415 1.526,416 1.994,418 3.596,419 1.465,420 2.556,421 1.674,422 3.698,423 2.373,424 1.4,425 1.5,427 3.048,428 1.357,429 2.5,430 1.489,431 3.576,432 2.123,433 1.178,434 1.474,436 2.759,437 1.102,438 2.475,439 1.378,440 3.247,441 2,442 1,443 1.453,445 2.136,446 1,447 2.353,448 1.037,449 3.218,450 1.954,451 1,452 1.338,454 1.792,455 0.952,456 1.744,457 1,458 3.183,459 1.594,460 0.633,461 0.684,463 1.408,464 0.604,465 1.688,466 0.844,467 3.11,468 1.436,469 0.506,470 0.582,472 1.054,473 0.467,474 16.033,475 0.472,476 0.619,477 0.018,478 42.5,479 1.25,480 21,481 0.618,482 21.5,483 0.632,484 31.825,485 0.936,486 37.367,487 0.575,488 34.066,489 1.002,490 8.645,491 0.254,492 7.994,493 0.235,494 0.104,496 0.306,501 0.858,502 1.254,503 0.846,504 1.112,505 0.855,506 1.003,507 1.052,508 1.075,509 0.939,510 0.954,511 0.63,512 0.925,513 0.745,514 1.069,515 0.938,516 1.036,517 0.645,518 1.016,519 0.712,520 1.12,521 0.995,522 1.12,523 0.611,524 1.102,525 0.808,526 1.003,527 1.024,528 1.041,529 0.558,530 1.062,531 0.798,532 1.065,533 1.095,534 1.165,535 0.808,536 1.181,537 0.814,538 0.97,539 0.972,540 1.008,541 0.722,542 1.017,543 0.982,544 0.935,545 1.014,546 0.951,547 0.813,548 0.981,549 5.5,550 0.19,551 3.556,552 2.25,553 2.213,554 1.014,555 0.807,556 0.425,557 0.3,558 0.245,559 16719,560 45551,561 2.077,562 47.7,563 2,564 20,566 1,567 2,568 2,569 4,572 1.761,573 1.962,574 3.668,575 0.147,582 96.737,583 1.488,584 3.5,585 4.749,586 5.311,587 5.415,588 5.445,589 3.047,590 4.572,591 5.057,592 3.847,593 2158.26,594 8.877,595 33564.6,600 391.454,601 1.333,602 5.026,603 0.149,604 0.006,605 0.071,606 0.04,607 0.041,608 0.019,609 0.017,610 0.01,611 0.008,612 0.007,613 0.368,614 0.33,615 0.88,616 0.972,617 183.033,618 0.023,619 -0.072,620 0.047,621 -0.006,622 0.014,623 0.015,624 -0.126,625 0.044,627 0.079,628 -0.003,629 0.065,630 0.074,631 0.014,632 -0.001,633 -0.012,634 0.079,635 -0.018,636 0.026,637 -0.077,638 -0.058,639 -0.103,640 0.048,641 -0.095,642 0.014,643 -0.002,644 -0.068,645 -0.034,646 0.069,647 -0.059,648 -0.021,649 -0.088,650 -0.146,651 -0.148,652 -0.075,653 -0.166,654 -0.029,655 -0.048,656 0.003,657 -0.023,658 -0.026,659 -0.008,660 -0.083,661 0.004,662 -0.023,663 0.015,664 -0.069,665 0.008,666 1.661,667 3.807,668 0.647,669 38.941,670 1,671 1.125,672 2.663,673 7.094,674 0.654,675 3.638,676 3.932,677 4.234,678 4.511,679 4.787,680 4.86,681 4.997,682 5.106,683 5.17,684 5.17,685 7.794,686 0.62,687 461.61,688 3.638,689 5.165,690 6.019,691 6.895,692 7.772,693 8.659,694 9.545,695 10.438,696 11.33,697 12.226,698 4.6,701 1,707 1,708 1,715 9,716 1,720 8,722 18,726 1,738 1,739 2,741 65,743 19,744 2,745 37,747 68,748 27,749 17,750 5,751 7,752 1,756 4,757 5,767 2,770 5,772 18,773 9,777 1,784 1,785 1,793 31,794 7,795 2,796 7,802 3,808 0.75,809 4,822 1,829 4,833 1,855 1,857 1,859 3,864 2,868 34,875 2,876 6,878 2,880 1,881 1,893 6.2,895 1,898 3,901 17.333,902 12,903 7.833,904 3.85,907 3.019,908 1.378,909 0.933,910 8.171,911 10.996,912 3.871,913 4.425,914 4.985,915 5.531,916 6.073,917 6.217,918 6.502,919 6.77,920 6.982,921 7.151,922 0.889,923 56,924 12.526,926 5.196,927 0.026,929 7.696,931 24.194,933 19.708,936 2.196,937 74.667,941 341.362,942 156.006,943 33.157,945 107.489,948 156.006,949 448.851,950 33.157,951 21.766,952 14.35,953 85.286,954 80.287,955 106.734,957 329.591,959 341.362,960 189.164,961 107.489,964 294.278,965 154.573,968 36.235,969 127.096,970 25.833,972 341.362,973 140.646,974 156.006,977 341.362,978 39.907,979 119.224,981 137.522,982 341.362,983 140.646,984 156.006,986 0.562,987 0.344,988 0.197,989 0.114,990 22,991 10,992 0.132,993 9,994 1,995 1.091,996 4.433,997 315.233,998 0.091,999 22,1000 166.974,1005 24.21,1006 11.475,1007 5.606,1009 140.646,1010 18.253,1011 4.375,1015 6.514,1017 85.489,1018 638.014,1019 47,1026 1.151,1027 2.973,1031 64.985,1032 73.145,1034 0.247,1035 0.581,1036 0.788,1037 0.882,1038 0.899,1039 0.904,1040 5.097,1041 1.608,1042 5.984,1043 5.178,1044 4.615,1045 5.112,1046 2.541,1047 6.799,1048 4.539,1049 6.276,1050 1.526,1051 7.541,1052 3.988,1053 4.111,1054 4.796,1055 0.914,1056 7.73,1057 3.989,1058 7.568,1059 1.4,1060 9.202,1061 3.596,1062 6.201,1063 7.246,1064 3.134,1065 10.858,1066 6.059,1067 8.897,1068 1.178,1069 10.928,1070 3.048,1071 6.567,1072 7.768,1073 1.413,1074 12.654,1075 6.374,1076 10.26,1077 1,1078 12.696,1079 2.759,1080 8.081,1081 9.668,1082 4.006,1083 15.303,1084 7.878,1085 11.647,1086 1,1087 14.493,1088 2.136,1089 8.86,1090 10.591,1091 1.855,1092 17.466,1093 8.611,1094 13.052,1095 0.633,1096 16.312,1097 1.792,1098 10.144,1099 12.247,1100 4.99,1101 19.964,1102 9.881,1103 3.258,1104 0.506,1105 18.146,1106 1.408,1107 11.121,1108 13.38,1109 2.297,1110 22.286,1111 10.822,1112 2.872,1113 11.66,1114 19.993,1115 1.054,1116 12.315,1117 14.913,1118 6.015,1119 24.74,1120 11.999,1121 2.82,1122 9.223,1123 21.852,1124 4.132,1125 13.386,1126 16.162,1127 2.751,1128 27.133,1129 13.041,1130 2.351,1131 8.811,1132 23.719,1133 3.922,1134 14.549,1135 17.631,1136 7.058,1137 29.577,1138 14.185,1139 2.265,1140 7.544,1141 25.594,1142 3.576,1143 15.665,1144 18.944,1145 3.216,1146 32.002,1147 15.276,1148 2.159,1149 6.531,1150 27.476,1151 3.118,1152 16.82,1153 20.38,1154 8.107,1155 34.447,1156 16.412,1157 1.824,1158 6.363,1159 29.364,1160 2.871,1161 17.959,1162 21.731,1163 3.689,1164 36.887,1165 17.529,1166 16129,1167 26770,1168 24.849,1169 42.495,1170 54.157,1171 56.68,1172 56.449,1173 53.759,1174 53.815,1175 68.362,1176 10.375,1177 151.803,1178 51.643,1179 5.459,1180 5.631,1181 6.717,1182 5.276,1183 5.258,1184 7.132,1185 3.394,1186 18.947,1187 5.18,1188 16.361,1189 1.464,1190 1.532,1191 1.526,1192 1.453,1193 1.454,1194 1.848,1195 0.28,1196 4.103,1197 1.396,1198 4.065,1199 4.095,1200 4.011,1201 3.989,1202 6.547,1203 3.99,1204 3.922,1205 3.955,1206 3.876,1207 3.812,1208 6.469,1209 3.822,1210 3.836,1211 3.862,1212 3.77,1213 3.773,1214 4.932,1215 3.768,1216 3.661,1217 3.718,1218 3.537,1219 3.512,1220 4.777,1221 3.507,1222 3.483,1223 3.536,1224 3.358,1225 3.307,1226 4.742,1227 3.313,1228 3.301,1229 3.359,1230 3.201,1231 3.093,1232 4.495,1233 3.103,1234 3.254,1235 3.318,1236 3.077,1237 3.03,1238 4.373,1239 3.027,1240 3.17,1241 3.244,1242 3.009,1243 2.929,1244 4.135,1245 2.935,1246 0.122,1247 0.098,1248 0.187,1249 0.114,1250 0.088,1251 4.511,1252 0.112,1253 3.631,1254 0.046,1255 6.915,1256 0.315,1257 4.233,1258 0.086,1259 3.258,1260 4.132,1261 1.697,1262 11.66,1263 3.18,1264 2.017,1265 1.993,1266 2.121,1267 2.117,1268 1.415,1269 2.12,1270 1.876,1271 1.844,1272 2.008,1273 2.01,1274 1.285,1275 2.007,1276 1.837,1277 1.813,1278 1.962,1279 1.927,1280 1.073,1281 1.94,1282 1.647,1283 1.592,1284 1.84,1285 1.828,1286 0.991,1287 1.836,1288 1.447,1289 1.396,1290 1.682,1291 1.669,1292 0.861,1293 1.677,1294 1.236,1295 1.177,1296 1.576,1297 1.525,1298 0.723,1299 1.541,1300 1.199,1301 1.133,1302 1.519,1303 1.494,1304 0.594,1305 1.486,1306 1.14,1307 1.061,1308 1.47,1309 1.41,1310 0.573,1311 1.426,1312 4.317,1314 5.617,1316 7.132,1318 8.752,1320 10.43,1322 3.355,1327 18.549,1328 5.648,1330 11.152,1332 0.156,1333 2.539,1340 40.299,1341 96.737,1342 227.485,1343 308.66,1344 345.189,1345 351.944,1346 353.944,1347 61.752,1348 7.977,1349 87.41,1350 87.41,1351 24,1352 12.752,1353 4.322,1354 3.459,1355 56.896,1356 155,1357 180,1358 0.173,1359 247.284,1360 435.28,1361 595.133,1362 34363,1364 23.916,1365 0.703,1366 0.578,1367 23.916,1368 19.646,1369 16.639,1370 0.45,1371 0.312,1372 11.372,1373 15.933,1374 11.074,1375 9.211,1376 16.639,1377 11.544,1378 14.034,1379 0.281,1380 0.168,1381 14.034,1382 8.414,1383 12.21,1384 0.18,1385 0.093,1386 12.21,1387 6.357,1388 10.242,1389 0.114,1390 0.052,1391 10.242,1392 4.684,1393 8.766,1394 0.074,1395 0.03,1396 8.766,1397 3.537,1398 0.274,1399 104.935,1400 0.201,1401 31.546,1402 0.466,1403 174,1404 500.706,1405 188.823,1406 479.906,1407 652.92,1408 450,1409 205,1410 476.274,1411 220.769,1412 484.105,1413 698.62,1414 452,1415 4}
{0 CHEMBL2181432,1 1.472,2 14.2,3 5.695,4 32.433,5 137.029,6 6.995,7 0.474,8 4.302,9 4.415,10 3.808,11 3.817,12 5.415,13 3.789,14 4.834,15 5.012,16 4.113,17 4.203,18 5.8,19 4.149,20 5.095,21 5.3,22 4.255,23 4.397,24 6.053,25 4.313,26 5.226,27 5.451,28 4.247,29 4.472,30 6.124,31 4.361,32 5.321,33 5.558,34 4.242,35 4.52,36 6.203,37 4.394,38 5.339,39 5.58,40 4.155,41 4.515,42 6.172,43 4.367,44 5.353,45 5.625,46 4.023,47 4.438,48 6.125,49 4.268,50 5.238,51 5.514,52 3.895,53 4.296,54 6.012,55 4.13,56 0.099,57 0.935,58 15.199,59 6.602,60 20.348,61 8.655,62 0.228,63 1.51,64 27.57,65 10.483,66 27.275,67 14.347,68 0.429,69 1.907,70 36.466,71 13.857,72 48.73,73 19.371,74 0.384,75 2.117,76 41.988,77 15.936,78 52.93,79 22.573,80 0.572,81 2.246,82 47.135,83 17.506,84 68.835,85 24.721,86 0.462,87 2.251,88 47.949,89 18.223,90 60.734,91 25.617,92 0.507,93 2.194,94 49.946,95 18.229,96 66.101,97 26.055,98 0.478,99 1.927,100 44.916,101 15.886,102 60.139,103 22.813,104 27,105 51,106 0.232,107 0.547,108 0.751,109 0.848,110 0.864,111 0.869,112 3.588,113 0.951,114 -4.09,115 -4.04,116 -3.82,121 41.2,123 5,126 2,127 2,129 1,144 9,145 3,146 3,148 2,157 1,172 1,176 14,180 8,185 1,187 14,191 2,192 11,195 1,197 1,200 12,206 9,209 2,214 13,218 1,219 7,223 1,224 2,227 18,231 1,232 4,237 3,239 17,243 1,244 7,249 2,251 13,256 7,261 2,264 8,269 6,274 1,277 7,281 2522,282 24.3,283 24.3,284 24.3,285 24.3,286 24.3,287 21.752,288 28.787,289 14.673,290 24.901,291 18.628,292 18.628,293 18.628,294 18.628,295 18.628,296 14.906,297 31.23,298 6.723,299 19.393,300 4.615,301 2.621,302 1.328,303 0.71,304 0.61,305 0.581,306 4.287,312 1,313 1062,314 3.742,318 423.195,322 171.415,325 1.863,326 27.083,329 1,330 0.67,331 0.83,332 1,333 1,334 1,335 1,336 0.93,337 75.5,338 497,339 4.511,340 3.631,341 6.915,342 4.233,343 3.258,344 4.132,345 1.697,346 11.66,347 3.18,348 4.261,349 3.628,350 6.197,351 3.83,352 2.872,353 3.922,354 1.277,355 9.223,356 2.746,357 4.108,358 3.17,359 6.077,360 3.767,361 2.82,362 3.576,363 0.86,364 8.811,365 2.677,366 3.71,367 2.99,368 5.724,369 3.331,370 2.351,371 3.118,372 0.86,373 7.544,374 2.289,375 3.559,376 2.613,377 5.241,378 3.234,379 2.26,380 2.871,381 0.494,382 6.528,383 2.198,384 3.356,385 2.511,386 5.224,387 3.119,388 2.171,389 2.513,391 6.367,392 2.051,393 3.113,394 2.432,395 4.786,396 2.798,397 1.826,398 2.257,400 5.178,401 1.776,402 3.071,403 2.224,404 4.245,405 2.593,406 1.616,407 2.213,409 3.988,410 1.579,411 2.871,412 1.881,413 4.213,414 2.547,415 1.59,416 1.997,418 3.609,419 1.512,420 2.619,421 1.676,422 3.752,423 2.445,424 1.485,425 1.624,427 3.304,428 1.421,429 2.556,430 1.614,431 3.616,432 2.129,433 1.184,434 1.5,436 2.776,437 1.107,438 2.5,439 1.403,440 3.282,441 2,442 1,443 1.453,445 2.136,446 1,447 2.353,448 1.05,449 3.247,450 1.955,451 1,452 1.338,454 1.942,455 0.952,456 1.957,457 1,458 3.183,459 1.858,460 0.879,461 0.929,463 1.79,464 0.858,465 1.715,466 0.956,467 3.166,468 1.463,469 0.54,470 0.618,472 1.09,473 0.495,474 16.533,475 0.472,476 0.619,477 0.018,478 43,479 1.229,480 21,481 0.6,482 22,483 0.629,484 33.752,485 0.964,486 38.667,487 0.569,488 34.238,489 0.978,490 8.645,491 0.247,492 8.494,493 0.243,494 0.101,496 0.296,501 0.856,502 1.262,503 0.862,504 1.126,505 0.851,506 1.019,507 1.043,508 1.091,509 0.952,510 0.977,511 0.624,512 0.948,513 0.734,514 1.063,515 0.932,516 1.031,517 0.633,518 1.01,519 0.706,520 1.114,521 0.987,522 1.112,523 0.605,524 1.092,525 0.804,526 1.003,527 1.017,528 1.037,529 0.555,530 1.055,531 0.825,532 1.065,533 1.091,534 1.142,535 0.811,536 1.158,537 0.811,538 0.952,539 1.005,540 1.03,541 0.732,542 1.049,543 0.909,544 0.942,545 0.991,546 0.978,547 0.757,548 0.998,549 5.5,550 0.177,551 3.556,552 2.25,553 2.213,554 1.069,555 0.766,556 0.457,557 0.25,558 0.224,559 18744,560 50094,561 2.075,562 48.5,563 4,564 20,566 1,567 2,568 2,569 4,572 1.767,573 1.963,574 3.741,575 0.134,582 100.122,583 1.472,584 3.466,585 4.759,586 5.378,587 5.477,588 5.506,589 3.147,590 4.672,591 5.099,592 3.938,593 2343.01,594 8.95,595 37914.3,600 413.947,601 1.316,602 5.07,603 0.145,604 0.006,605 0.07,606 0.039,607 0.04,608 0.02,609 0.016,610 0.011,611 0.007,612 0.007,613 0.36,614 0.33,615 0.88,616 0.955,617 191.389,618 0.028,619 -0.07,620 0.047,621 -0.006,622 0.024,623 0.014,624 -0.118,625 0.031,626 -0.004,627 0.063,628 0.004,629 0.051,630 0.082,631 0.016,632 0.013,633 -0.005,634 0.088,635 -0.006,636 0.031,637 -0.071,638 -0.045,639 -0.093,640 0.055,641 -0.083,642 0.02,643 -0.001,644 -0.058,645 -0.03,646 0.074,647 -0.051,648 -0.04,649 -0.084,650 -0.139,651 -0.128,652 -0.076,653 -0.146,654 -0.025,655 -0.022,656 -0.036,657 -0.044,658 -0.031,659 -0.043,660 -0.053,661 -0.024,662 -0.009,663 -0.004,664 -0.044,665 -0.001,666 1.655,667 3.786,668 0.629,669 42.287,670 0.998,671 1.126,672 2.862,673 8.189,674 0.651,675 3.664,676 3.951,677 4.248,678 4.522,679 4.796,680 4.868,681 4.997,682 5.1,683 5.147,684 5.118,685 8.281,686 0.615,687 475.64,688 3.664,689 5.187,690 6.038,691 6.911,692 7.785,693 8.67,694 9.554,695 10.445,696 11.335,697 12.23,698 4.4,701 1,707 1,708 1,715 9,716 1,720 8,722 18,726 1,738 1,739 2,741 68,743 19,744 2,745 38,747 71,748 28,749 17,750 5,751 7,752 1,756 4,757 5,767 2,770 6,772 18,773 10,777 1,784 1,785 1,793 33,794 7,795 2,796 7,802 3,808 0.75,809 4,822 1,829 4,833 1,855 1,857 1,859 3,864 2,868 35,875 2,876 7,878 2,880 1,881 1,893 5.9,895 1,898 3,901 17.833,902 12.5,903 8.083,904 4.1,907 2.994,908 1.374,909 0.931,910 8.75,911 11.007,912 3.892,913 4.437,914 4.992,915 5.535,916 6.075,917 6.219,918 6.5,919 6.765,920 6.965,921 7.108,922 1,923 57,924 12.903,926 5.337,927 0.026,929 7.676,931 25.011,933 20.375,936 2.176,937 76.167,941 364.904,942 158.541,943 33.157,945 107.489,948 158.541,949 472.393,950 33.157,951 21.766,952 16.884,953 85.286,954 80.287,955 106.734,957 353.133,959 364.904,960 191.698,961 107.489,964 317.82,965 154.573,968 38.769,969 127.096,970 25.833,972 364.904,973 140.646,974 158.541,977 364.904,978 42.441,979 119.224,981 137.522,982 364.904,983 140.646,984 158.541,986 0.561,987 0.341,988 0.195,989 0.114,990 22,991 10,992 0.141,993 10,994 1,995 1.091,996 4.552,997 323.65,998 0.091,999 22,1000 171.525,1005 25.179,1006 12.163,1007 6.018,1009 140.646,1010 18.342,1011 4.365,1015 6.608,1017 85.489,1018 664.091,1019 48,1026 1.154,1027 2.97,1031 67.869,1032 76.561,1034 0.242,1035 0.569,1036 0.782,1037 0.883,1038 0.9,1039 0.905,1040 5.115,1041 1.616,1042 5.999,1043 5.178,1044 4.635,1045 5.124,1046 2.541,1047 6.808,1048 4.561,1049 6.289,1050 1.59,1051 7.551,1052 3.988,1053 4.111,1054 4.796,1055 0.914,1056 7.73,1057 3.989,1058 7.578,1059 1.485,1060 9.209,1061 3.609,1062 6.213,1063 7.25,1064 3.134,1065 10.86,1066 6.073,1067 8.904,1068 1.184,1069 10.933,1070 3.304,1071 6.567,1072 7.768,1073 1.413,1074 12.654,1075 6.374,1076 10.265,1077 1,1078 12.699,1079 2.776,1080 8.087,1081 9.67,1082 4.006,1083 15.303,1084 7.885,1085 11.65,1086 1,1087 14.495,1088 2.136,1089 8.86,1090 10.591,1091 1.855,1092 17.466,1093 8.611,1094 13.054,1095 0.879,1096 16.313,1097 1.942,1098 10.146,1099 12.247,1100 4.99,1101 19.964,1102 9.885,1103 3.258,1104 0.54,1105 18.147,1106 1.79,1107 11.121,1108 13.38,1109 2.297,1110 22.286,1111 10.822,1112 2.872,1113 11.66,1114 19.994,1115 1.09,1116 12.316,1117 14.913,1118 6.015,1119 24.74,1120 12,1121 2.82,1122 9.223,1123 21.852,1124 4.132,1125 13.386,1126 16.162,1127 2.751,1128 27.133,1129 13.041,1130 2.351,1131 8.811,1132 23.719,1133 3.922,1134 14.549,1135 17.631,1136 7.058,1137 29.577,1138 14.186,1139 2.26,1140 7.544,1141 25.594,1142 3.576,1143 15.665,1144 18.944,1145 3.216,1146 32.002,1147 15.276,1148 2.171,1149 6.528,1150 27.476,1151 3.118,1152 16.82,1153 20.38,1154 8.107,1155 34.447,1156 16.413,1157 1.826,1158 6.367,1159 29.364,1160 2.871,1161 17.959,1162 21.731,1163 3.689,1164 36.887,1165 17.529,1166 18053,1167 29672,1168 25.542,1169 44.256,1170 55.437,1171 58.025,1172 57.709,1173 54.982,1174 55.028,1175 69.57,1176 10.375,1177 154.226,1178 52.86,1179 5.464,1180 5.631,1181 6.717,1182 5.276,1183 5.258,1184 7.132,1185 3.394,1186 18.947,1187 5.18,1188 16.777,1189 1.459,1190 1.527,1191 1.519,1192 1.447,1193 1.448,1194 1.831,1195 0.273,1196 4.059,1197 1.391,1198 4.066,1199 4.095,1200 4.011,1201 3.989,1202 6.547,1203 3.99,1204 3.925,1205 3.959,1206 3.877,1207 3.814,1208 6.469,1209 3.824,1210 3.836,1211 3.862,1212 3.77,1213 3.773,1214 4.932,1215 3.768,1216 3.692,1217 3.75,1218 3.559,1219 3.555,1220 4.777,1221 3.545,1222 3.519,1223 3.573,1224 3.396,1225 3.34,1226 4.743,1227 3.347,1228 3.337,1229 3.396,1230 3.228,1231 3.152,1232 4.495,1233 3.153,1234 3.255,1235 3.319,1236 3.089,1237 3.036,1238 4.374,1239 3.034,1240 3.22,1241 3.286,1242 3.06,1243 2.983,1244 4.146,1245 2.991,1246 0.119,1247 0.096,1248 0.182,1249 0.111,1250 0.086,1251 4.511,1252 0.109,1253 3.631,1254 0.045,1255 6.915,1256 0.307,1257 4.233,1258 0.084,1259 3.258,1260 4.132,1261 1.697,1262 11.66,1263 3.18,1264 2.017,1265 1.993,1266 2.122,1267 2.117,1268 1.42,1269 2.12,1270 1.88,1271 1.846,1272 2.023,1273 2.014,1274 1.321,1275 2.013,1276 1.837,1277 1.813,1278 1.963,1279 1.927,1280 1.073,1281 1.94,1282 1.689,1283 1.634,1284 1.879,1285 1.859,1286 1.058,1287 1.872,1288 1.48,1289 1.427,1290 1.702,1291 1.7,1292 0.881,1293 1.704,1294 1.303,1295 1.242,1296 1.589,1297 1.536,1298 0.805,1299 1.55,1300 1.202,1301 1.136,1302 1.575,1303 1.523,1304 0.611,1305 1.538,1306 1.155,1307 1.088,1308 1.496,1309 1.44,1310 0.573,1311 1.435,1312 4.344,1314 5.638,1316 7.148,1318 8.763,1320 10.438,1322 3.369,1327 18.511,1328 6.932,1330 11.169,1332 0.179,1333 2.568,1340 41.825,1341 100.122,1342 235.696,1343 323.644,1344 365.683,1345 372.438,1346 374.438,1347 64.932,1348 8.013,1349 87.41,1350 87.41,1351 24,1352 12.757,1353 4.322,1354 3.459,1355 59.638,1356 170,1357 195,1358 0.164,1359 256.876,1360 452.58,1361 618.538,1362 37039,1364 24.623,1365 0.704,1366 0.582,1367 24.623,1368 20.353,1369 17.139,1370 0.451,1371 0.317,1372 11.872,1373 16.433,1374 11.564,1375 9.627,1376 17.139,1377 12.044,1378 14.388,1379 0.282,1380 0.172,1381 14.388,1382 8.767,1383 12.46,1384 0.181,1385 0.096,1386 12.46,1387 6.607,1388 10.419,1389 0.114,1390 0.053,1391 10.419,1392 4.861,1393 8.887,1394 0.074,1395 0.03,1396 8.887,1397 3.649,1398 0.263,1399 107.935,1400 0.198,1401 32.521,1402 0.435,1403 178,1404 504.706,1405 192.823,1406 484.068,1407 658.68,1408 454,1409 209,1410 480.274,1411 224.769,1412 488.267,1413 704.38,1414 456,1415 4}
{0 CHEMBL218443,1 1.315,2 22.238,3 6.592,4 43.456,5 180.395,6 6.095,7 0.273,8 4.571,9 4.716,10 3.946,11 4.088,12 5.515,13 4.018,14 5.145,15 5.367,16 4.203,17 4.456,18 5.995,19 4.344,20 5.44,21 5.709,22 4.265,23 4.6,24 6.25,25 4.449,26 5.51,27 5.795,28 4.201,29 4.615,30 6.265,31 4.438,32 5.54,33 5.83,34 4.192,35 4.639,36 6.318,37 4.454,38 5.537,39 5.82,40 4.129,41 4.643,42 6.288,43 4.448,44 5.526,45 5.824,46 4.037,47 4.584,48 6.254,49 4.375,50 5.416,51 5.713,52 3.957,53 4.468,54 6.146,55 4.264,56 0.114,57 1.302,58 22.875,59 9.188,60 14.216,61 13.365,62 0.286,63 2.081,64 40.036,65 14.343,66 31.427,67 21.786,68 0.514,69 2.531,70 52.919,71 18.622,72 58.958,73 28.307,74 0.543,75 2.611,76 56.207,77 20.041,78 57.469,79 30.295,80 0.587,81 2.639,82 57.631,83 21.225,84 76.056,85 31.526,86 0.468,87 2.625,88 57.371,89 21.486,90 59.77,91 31.654,92 0.522,93 2.533,94 56.477,95 21,96 60.901,97 30.937,98 0.408,99 2.258,100 50.535,101 18.657,102 52.067,103 27.633,104 21,105 54,106 0.195,107 0.466,108 0.648,109 0.745,110 0.78,111 0.798,112 3.764,113 1.095,114 -5.53,115 -5.41,116 -5.05,121 38.3,122 2,123 8,127 8,137 2,140 2,144 10,145 2,158 2,176 18,180 9,185 3,187 16,191 1,192 9,196 1,197 3,200 9,206 7,209 2,211 1,214 8,219 6,222 2,224 2,227 16,232 2,237 2,239 20,243 1,244 3,247 1,249 3,251 20,256 3,261 3,264 12,269 6,274 4,277 7,281 4784,282 28.949,283 28.949,284 28.949,285 28.949,286 28.949,287 26.666,288 35.214,289 18.268,290 29.364,291 21.676,292 21.676,293 21.676,294 21.676,295 21.676,296 18.312,297 46.698,298 8.665,299 22.265,300 5.24,301 3.418,302 2.194,303 1.546,304 1.309,305 1.186,306 4.451,313 1946,314 5.196,318 570.156,325 4.132,326 29.805,329 0.5,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.7,337 88,338 934,339 4.381,340 3.581,341 6.25,342 3.974,343 2.988,344 3.846,345 0.916,346 9.366,347 2.947,348 3.934,349 2.987,350 5.741,351 3.623,352 2.659,353 3.456,354 0.916,355 7.636,356 2.574,357 3.934,358 2.987,359 5.567,360 3.623,361 2.659,362 3.456,363 0.6,364 7.636,365 2.574,366 3.773,367 2.889,368 5.567,369 3.392,370 2.422,371 3.014,372 0.4,373 7.583,374 2.34,375 3.38,376 2.439,377 5.018,378 3.189,379 2.232,380 2.443,381 0.172,382 6.007,383 2.124,384 3.38,385 2.424,386 5.018,387 3.189,388 2.232,389 2.443,390 0.172,391 6.007,392 2.124,393 3.266,394 2.423,395 4.559,396 2.822,397 1.833,398 2.385,400 4.72,401 1.808,402 2.887,403 1.953,404 3.929,405 2.802,406 1.817,407 1.994,409 3.724,410 1.787,411 2.869,412 1.782,413 3.829,414 2.662,415 1.672,416 1.992,418 3.598,419 1.648,420 2.828,421 1.661,422 3.677,423 2.447,424 1.458,425 1.843,427 3.098,428 1.442,429 2.761,430 1.528,431 3.594,432 2.429,433 1.433,434 1.765,436 3.047,437 1.427,438 2.569,439 1.518,440 3.575,441 2.333,442 1.361,443 1.5,445 2.924,446 1.317,447 2.5,448 1.313,449 3.402,450 2.212,451 1.229,452 1.5,454 2.579,455 1.206,456 2.5,457 1.229,458 3.247,459 2,460 1,461 1.495,463 2.136,464 1,465 2.293,466 1,467 3.247,468 2,469 1,470 1.272,472 2.136,473 1,474 20.267,475 0.483,476 0.588,477 0.014,478 43,479 1.024,480 18,481 0.429,482 25,483 0.595,484 47.775,485 1.137,486 48.133,487 0.512,488 32.723,489 0.779,490 8.177,491 0.195,492 12.408,493 0.295,494 0.082,496 0.188,501 0.878,502 1.445,503 1.034,504 1.251,505 0.748,506 1.17,507 1.033,508 1.242,509 1.112,510 1.141,511 0.61,512 1.121,513 0.937,514 1.076,515 1.001,516 1.022,517 0.736,518 1.011,519 0.901,520 1.041,521 1.001,522 1.023,523 0.795,524 1.018,525 0.885,526 0.936,527 0.965,528 0.965,529 0.871,530 0.97,531 1.095,532 1.018,533 1.078,534 1.057,535 1.221,536 1.068,537 1.015,538 0.917,539 1.033,540 0.996,541 1.144,542 1.016,543 1.039,544 1.02,545 0.99,546 1.019,547 1.215,548 1.009,549 6,550 0.165,551 2.667,552 1.875,553 1.627,554 0.694,555 0.567,556 0.385,557 0.205,558 0.202,559 40302,560 78860,561 2.023,562 55.3,563 8,564 28,567 2,569 14,572 1.802,573 1.938,574 4.378,575 0.031,582 123.591,583 1.315,584 3.137,585 4.361,586 5.009,587 5.246,588 5.368,589 3.821,590 3.975,591 5.361,592 4.638,593 3993.43,594 9.425,595 88054.5,600 616.131,601 1.125,602 5.345,603 0.136,604 0.004,605 0.049,606 0.034,607 0.033,608 0.014,609 0.012,610 0.009,611 0.005,612 0.005,613 0.303,614 0.17,615 0.63,616 0.661,617 255.196,618 -0.002,619 -0.148,620 0.035,621 -0.039,622 -0.016,623 -0.008,624 -0.071,625 -0.065,626 -0.069,627 -0.077,628 0.047,629 -0.07,630 0.072,631 -0.028,632 0.009,633 -0.028,634 0.11,635 -0.016,636 0.068,637 -0.039,638 -0.01,639 -0.044,640 0.052,641 -0.035,642 0.08,643 0.036,644 0.017,645 0.017,646 0.1,647 0.014,648 -0.088,649 -0.044,650 -0.093,651 -0.06,652 -0.114,653 -0.075,654 -0.028,655 0.031,656 -0.057,657 -0.024,658 -0.094,659 -0.041,660 -0.029,661 -0.085,662 -0.015,663 -0.043,664 -0.086,665 -0.032,666 1.798,667 5.559,668 0.429,669 83.519,670 0.982,671 1.132,672 4.304,673 18.523,674 0.63,675 3.807,676 4.007,677 4.174,678 4.317,679 4.466,680 4.344,681 4.317,682 4.317,683 4.263,684 4.234,685 12.989,686 0.576,687 572.92,688 3.807,689 5.283,690 6.071,691 6.88,692 7.684,693 8.5,694 9.31,695 10.13,696 10.946,697 11.768,698 4.3,700 1,701 2,707 1,715 10,720 2,722 12,741 94,743 16,744 2,745 44,747 96,748 36,749 12,750 2,751 10,752 6,756 3,757 3,763 2,770 8,772 18,773 18,777 4,782 1,784 2,785 1,786 4,793 52,794 6,795 2,796 6,802 4,808 1,809 2,829 3,839 1,841 1,849 4,853 1,855 2,857 1,859 3,864 2,868 42,875 1,876 16,877 1,881 2,893 2.1,895 1,896 1,901 21.667,902 16.717,903 9.889,904 6.46,907 2.588,908 1.338,909 0.93,910 16.086,911 10.255,912 4.007,913 4.419,914 4.84,915 5.232,916 5.645,917 5.496,918 5.556,919 5.641,920 5.593,921 5.518,922 0.933,923 55,924 15.645,926 6.259,927 0.026,929 7.512,931 31.021,933 24.666,936 2.012,937 84.5,941 588.555,942 185.505,943 41.045,945 67.828,948 185.505,949 656.383,950 41.045,951 17.65,952 37.122,953 131.726,954 78.475,955 29.405,957 588.555,959 588.555,960 226.55,961 67.828,964 423.76,965 232.624,968 95.817,969 109.024,970 21.709,972 588.555,973 108.873,974 185.505,977 588.555,978 54.14,979 137.614,980 18.011,981 84.614,982 588.555,983 108.873,984 185.505,986 0.546,987 0.31,988 0.162,989 0.089,990 17,991 8,992 0.219,993 21,995 1,996 5.605,997 349.921,999 18,1000 218.477,1005 33.617,1006 20.097,1007 13.321,1009 108.873,1010 21.274,1015 2.726,1017 60.694,1018 882.934,1019 54,1024 12.559,1026 3.002,1027 4.475,1028 0.836,1031 92.268,1032 106.377,1034 0.201,1035 0.479,1036 0.665,1037 0.764,1038 0.8,1039 0.819,1040 5.193,1041 1.817,1042 5.974,1043 4.72,1044 4.691,1045 5.106,1046 1.619,1047 6.635,1048 4.64,1049 6.307,1050 1.672,1051 7.434,1052 3.724,1053 3.892,1054 4.477,1055 0.57,1056 7.222,1057 3.797,1058 7.542,1059 1.458,1060 8.995,1061 3.598,1062 6.133,1063 7.052,1064 1.171,1065 10.291,1066 6.029,1067 8.811,1068 1.433,1069 10.62,1070 3.098,1071 6.217,1072 7.289,1073 0.674,1074 11.756,1075 6.069,1076 10.116,1077 1.361,1078 12.288,1079 3.047,1080 7.828,1081 9.292,1082 0.92,1083 14.289,1084 7.674,1085 11.447,1086 1.229,1087 13.985,1088 2.924,1089 8.363,1090 9.967,1091 0.66,1092 16.13,1093 8.177,1094 12.798,1095 1,1096 15.704,1097 2.579,1098 9.68,1099 11.691,1100 0.757,1101 18.466,1102 9.487,1103 2.988,1104 1,1105 17.438,1106 2.136,1107 10.461,1108 12.612,1109 0.611,1110 20.488,1111 10.244,1112 2.659,1113 9.366,1114 19.184,1115 2.136,1116 11.637,1117 14.179,1118 0.64,1119 22.748,1120 11.412,1121 2.659,1122 7.636,1123 20.94,1124 3.846,1125 12.551,1126 15.249,1127 0.55,1128 24.862,1129 12.309,1130 2.422,1131 7.636,1132 22.703,1133 3.456,1134 13.662,1135 16.723,1136 0.548,1137 27.096,1138 13.41,1139 2.232,1140 7.583,1141 24.473,1142 3.456,1143 14.648,1144 17.885,1145 0.487,1146 29.26,1147 14.384,1148 2.232,1149 6.007,1150 26.249,1151 3.014,1152 15.731,1153 19.303,1154 0.471,1155 31.486,1156 15.458,1157 1.833,1158 6.007,1159 28.03,1160 2.443,1161 16.758,1162 20.525,1163 0.427,1164 33.679,1165 16.473,1166 39032,1167 54814,1168 29.583,1169 59.205,1170 61.92,1171 62.332,1172 63.272,1173 61.307,1174 61.259,1175 74.495,1176 6.355,1177 154.813,1178 59.738,1179 5.346,1180 5.581,1181 6.114,1182 5.005,1183 4.988,1184 6.846,1185 1.605,1186 16.052,1187 4.947,1188 18.879,1189 1.407,1190 1.417,1191 1.438,1192 1.393,1193 1.392,1194 1.693,1195 0.144,1196 3.518,1197 1.358,1198 3.98,1199 4.025,1200 3.906,1201 3.888,1202 7.428,1203 3.883,1204 3.913,1205 3.953,1206 3.847,1207 3.844,1208 6.469,1209 3.837,1210 3.903,1211 3.933,1212 3.835,1213 3.795,1214 4.772,1215 3.807,1216 3.756,1217 3.822,1218 3.608,1219 3.622,1220 4.743,1221 3.608,1222 3.742,1223 3.799,1224 3.602,1225 3.616,1226 4.616,1227 3.603,1228 3.609,1229 3.687,1230 3.463,1231 3.424,1232 4.352,1233 3.422,1234 3.574,1235 3.648,1236 3.414,1237 3.402,1238 4.278,1239 3.394,1240 3.401,1241 3.487,1242 3.234,1243 3.219,1244 4.25,1245 3.208,1246 0.1,1247 0.081,1248 0.142,1249 0.09,1250 0.068,1251 4.381,1252 0.087,1253 3.581,1254 0.021,1255 6.25,1256 0.213,1257 3.974,1258 0.067,1259 2.988,1260 3.846,1261 0.916,1262 9.366,1263 2.947,1264 1.919,1265 1.886,1266 2.064,1267 2.032,1268 1.381,1269 2.045,1270 1.919,1271 1.886,1272 2.062,1273 2.028,1274 1.378,1275 2.042,1276 1.856,1277 1.829,1278 2.015,1279 2.002,1280 1.214,1281 2,1282 1.77,1283 1.706,1284 2.004,1285 1.929,1286 1.209,1287 1.958,1288 1.741,1289 1.684,1290 1.91,1291 1.897,1292 1.081,1293 1.913,1294 1.596,1295 1.519,1296 1.859,1297 1.808,1298 1.065,1299 1.829,1300 1.572,1301 1.497,1302 1.832,1303 1.773,1304 0.984,1305 1.798,1306 1.408,1307 1.325,1308 1.719,1309 1.63,1310 0.951,1311 1.664,1312 4.489,1314 5.72,1316 7.133,1318 8.634,1320 10.183,1322 4.437,1327 10.448,1328 16.533,1329 3.238,1333 4.97,1340 54.158,1341 123.591,1342 294.862,1343 409.918,1344 470.847,1345 493.112,1346 504.622,1347 111.939,1348 7.667,1349 68.17,1350 68.17,1351 18,1352 12.349,1353 4.087,1354 3.459,1355 95.579,1356 331,1357 286,1358 0.132,1359 339.81,1360 607.66,1361 820.897,1362 31578,1364 29.832,1365 0.71,1366 0.618,1367 29.832,1368 25.939,1369 20.584,1370 0.468,1371 0.365,1372 15.935,1373 20.088,1374 15.514,1375 13.021,1376 20.584,1377 16.066,1378 16.664,1379 0.309,1380 0.207,1381 16.664,1382 11.183,1383 13.271,1384 0.207,1385 0.123,1386 13.271,1387 7.851,1388 10.115,1389 0.137,1390 0.071,1391 10.115,1392 5.241,1393 7.996,1394 0.093,1395 0.042,1396 7.996,1397 3.578,1398 0.226,1399 126.792,1400 0.184,1401 39.745,1402 0.319,1403 196,1404 455.153,1405 207.812,1406 448.968,1407 608.95,1408 422,1409 216,1410 432.695,1411 228.757,1412 443.731,1413 637.1,1414 418,1415 7.135}
{0 CHEMBL218939,1 1.451,2 8.37,3 3.792,4 14.379,5 107.682,6 6.99,7 0.4,8 4.042,9 4.162,10 3.555,11 3.598,12 5.107,13 3.564,14 4.587,15 4.761,16 3.935,17 4.012,18 5.594,19 3.952,20 4.852,21 5.057,22 4.091,23 4.189,24 5.789,25 4.124,26 4.94,27 5.13,28 4.192,29 4.243,30 6.051,31 4.187,32 5.05,33 5.257,34 4.191,35 4.298,36 6.113,37 4.235,38 5.078,39 5.29,40 4.154,41 4.313,42 6.167,43 4.221,44 5.109,45 5.356,46 3.872,47 4.248,48 6.026,49 4.1,50 5.007,51 5.294,52 3.483,53 4.051,54 5.775,55 3.84,56 0.054,57 0.739,58 11.539,59 4.982,60 11.035,61 6.641,62 0.234,63 1.208,64 21.087,65 8.668,66 24.8,67 11.883,68 0.212,69 1.543,70 28.311,71 10.566,72 26.773,73 14.877,74 0.396,75 1.694,76 31.096,77 10.948,78 51.891,79 15.293,80 0.397,81 1.83,82 35.489,83 11.771,84 57.78,85 16.52,86 0.509,87 1.868,88 36.338,89 12.707,90 72.585,91 18.05,92 0.399,93 1.823,94 38.364,95 13.532,96 58.862,97 19.253,98 0.321,99 1.546,100 35.375,101 13.094,102 47.737,103 18.871,104 20,105 43,106 0.243,107 0.621,108 0.793,109 0.837,110 0.859,111 0.859,112 3.342,113 0.959,114 -4.4,115 -4.34,116 -4.09,121 42.3,122 2,123 4,124 1,127 1,138 1,141 1,144 5,145 3,146 1,148 1,149 1,158 1,165 1,166 1,167 1,176 13,179 1,180 8,183 1,185 3,187 17,189 2,192 5,197 3,200 14,203 2,205 1,206 10,208 2,209 3,211 8,214 13,216 4,219 8,224 5,227 12,229 3,231 1,232 9,234 1,235 2,236 1,237 6,238 1,239 16,241 3,244 4,249 3,251 14,253 1,256 3,261 3,264 11,266 1,269 1,274 1,277 6,281 1083,282 18.474,283 18.474,284 18.474,285 18.474,286 18.474,287 16.433,288 22.34,289 10.968,290 18.74,291 14.782,292 14.782,293 14.782,294 14.782,295 14.782,296 11.701,297 26.162,298 5.108,299 15.131,300 4.249,301 1.99,302 0.959,303 0.697,304 0.567,305 0.567,306 4.038,310 1,311 1,312 1,313 488,314 3.082,318 220.949,322 178.327,325 1.152,326 25.91,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 57.5,338 226,339 4.716,340 3.793,341 7.192,342 4.393,343 3.407,344 4.38,345 1.36,346 12.664,347 3.36,348 4.337,349 3.256,350 6.6,351 3.974,352 2.988,353 3.844,354 1.216,355 10.404,356 2.945,357 3.924,358 2.955,359 6.055,360 3.537,361 2.546,362 3.427,363 0.986,364 8.461,365 2.522,366 3.734,367 2.778,368 5.729,369 3.357,370 2.382,371 3.088,373 7.644,374 2.324,375 3.495,376 2.443,377 5.302,378 3.08,379 2.123,380 2.791,382 6.381,383 2.025,384 3.169,385 2.205,386 4.852,387 2.809,388 1.849,389 2.303,391 5.098,392 1.77,393 2.987,394 1.958,395 4.569,396 2.655,397 1.668,398 2.137,400 4.284,401 1.646,402 2.506,403 1.543,404 3.885,405 2.407,406 1.416,407 1.504,409 3.078,410 1.402,411 2.5,412 1.472,413 3.658,414 2.186,415 1.211,416 1.5,418 2.869,419 1.177,420 2.459,421 1.351,422 3.575,423 2,424 1,425 1.445,427 2.347,428 1,429 2.111,430 1.168,431 3.361,432 1.957,433 1,434 1.066,436 2.136,437 0.951,438 1.95,439 1,440 3.247,441 1.798,442 0.83,443 0.9,445 1.565,446 0.799,447 1.333,448 0.508,449 3.035,450 1.05,451 0.09,452 0.105,454 0.235,455 0.086,456 1.059,457 0.227,458 2.847,459 0.859,460 -0.101,461 -0.113,463 -0.262,464 -0.097,465 0.989,466 -0.081,467 2.627,468 0.647,469 -0.332,470 -0.407,472 -0.789,473 -0.325,474 12.867,475 0.477,476 0.645,477 0.024,478 33,479 1.222,480 16,481 0.593,482 17,483 0.63,484 26.657,485 0.987,486 29.133,487 0.56,488 24.575,489 0.91,490 6.124,491 0.227,492 6.99,493 0.259,494 0.135,496 0.389,501 0.952,502 1.151,503 0.868,504 1.028,505 1.04,506 0.949,507 0.674,508 1.089,509 0.803,510 0.997,511 0.531,512 0.933,513 0.997,514 1.096,515 0.85,516 0.933,517 0.858,518 0.879,519 1.154,520 1.143,521 0.998,522 1.053,523 1.246,524 1.009,525 1.558,526 1.067,527 1.091,528 0.949,529 1.55,530 0.951,531 1.075,532 1.123,533 1.113,534 1.115,535 1.017,536 1.112,537 1.227,538 1.045,539 1.228,540 1.12,541 1.258,542 1.162,543 0.866,544 0.971,545 1.088,546 1.095,547 0.933,548 1.121,549 4,550 0.021,551 2.889,552 2.688,553 2.604,554 1.535,555 0.853,556 0.488,557 0.176,558 0.095,559 7240,560 16250,561 2.097,562 48.1,563 7,564 7,567 3,568 5,569 3,572 1.714,573 1.952,574 2.999,575 0.872,577 1,582 75.464,583 1.451,584 3.711,585 4.741,586 5.003,587 5.133,588 5.133,589 2.434,590 4.459,591 4.725,592 3.131,593 1099.12,594 8.273,595 13303.3,597 1,599 1,600 296.423,601 1.447,602 4.681,603 0.133,604 0.005,605 0.067,606 0.054,607 0.049,608 0.029,609 0.017,610 0.014,611 0.008,612 0.009,613 0.386,614 0.33,615 1,616 1.113,617 128.492,618 -0.075,619 0.021,620 0.037,621 0.055,622 -0.124,623 0.061,624 0.2,625 -0.012,626 0.129,627 0.054,628 0.164,629 0.076,630 -0.047,631 -0.035,632 0.11,633 0.074,634 -0.057,635 0.105,636 0.067,637 -0.042,638 -0.014,639 -0.077,640 0.067,641 -0.062,642 -0.208,643 0.004,644 -0.085,645 0.007,646 -0.142,647 -0.015,648 0.072,649 -0.065,650 -0.129,651 -0.145,652 0.131,653 -0.159,654 -0.172,655 -0.064,656 -0.241,657 -0.153,658 -0.187,659 -0.195,660 -0.05,661 -0.084,662 -0.11,663 -0.115,664 -0.09,665 -0.119,666 1.754,667 4.646,668 0.741,669 20.346,670 0.994,671 1.125,672 3.175,673 10.08,674 0.66,675 3.434,676 3.784,677 4.143,678 4.511,679 4.828,680 4.99,681 5.165,682 5.342,683 5.442,684 5.403,685 5.098,686 0.621,687 363.5,688 3.434,689 4.99,690 5.878,691 6.795,692 7.709,693 8.64,694 9.566,695 10.502,696 11.433,697 12.372,698 5.8,702 1,707 1,708 1,715 5,716 1,720 6,722 12,733 1,741 52,743 14,744 1,745 30,747 55,748 22,749 11,750 1,751 5,752 3,756 4,757 7,763 2,767 4,768 1,770 4,772 14,773 8,774 1,777 2,785 1,786 3,790 1,793 25,794 5,795 3,796 5,802 3,808 0.5,809 2,822 1,829 4,833 2,839 1,850 1,857 1,858 1,859 2,864 2,868 27,869 1,875 1,876 5,878 1,880 1,893 3.8,895 1,897 1,901 13.833,902 9.85,903 6,904 3.444,907 2.846,908 1.367,909 0.979,910 4.921,911 10.601,912 3.664,913 4.277,914 4.887,915 5.508,916 6.111,917 6.486,918 6.933,919 7.364,920 7.703,921 7.875,922 0.833,923 50,924 10.035,926 4.331,927 0.026,929 7.623,931 19.467,933 16.441,936 2.123,937 57.333,939 1,940 1,941 258.964,942 104.122,943 66.468,945 53.683,948 104.122,949 312.647,950 66.468,951 17.65,952 14.731,953 80.278,954 73.226,955 36.061,956 2.328,957 258.964,959 258.964,960 170.591,961 53.683,964 223.651,965 77.997,966 11,968 51.923,969 101.882,970 16.786,972 258.964,973 120.151,974 104.122,977 258.964,978 39.091,979 65.032,981 120.151,982 258.964,983 120.151,984 104.122,986 0.577,987 0.356,988 0.217,989 0.127,990 22,991 10,992 0.055,993 3,994 2,995 1.2,996 3.623,997 254.264,998 0.2,999 20,1000 124.382,1005 18.058,1006 7.358,1007 3.123,1009 120.151,1010 10.061,1011 4.868,1015 5.578,1017 75.581,1018 483.238,1019 38,1027 4.703,1028 1.292,1031 51.68,1032 58.481,1034 0.255,1035 0.651,1036 0.832,1037 0.878,1038 0.9,1039 0.9,1040 4.927,1041 1.416,1042 5.878,1043 4.284,1044 4.466,1045 4.963,1046 2.161,1047 6.774,1048 4.424,1049 6.145,1050 1.211,1051 7.484,1052 3.078,1053 4.111,1054 4.82,1055 1.06,1056 7.851,1057 4.061,1058 7.477,1059 1,1060 9.199,1061 2.869,1062 6.12,1063 7.171,1064 2.408,1065 11.053,1066 6.048,1067 8.849,1068 1,1069 10.979,1070 2.347,1071 6.621,1072 7.851,1073 1.679,1074 12.987,1075 6.543,1076 10.255,1077 0.83,1078 12.801,1079 2.136,1080 8.106,1081 9.684,1082 2.762,1083 15.721,1084 8.011,1085 11.687,1086 0.09,1087 14.652,1088 1.565,1089 9,1090 10.747,1091 2.248,1092 18.004,1093 8.897,1094 13.138,1095 -0.101,1096 16.524,1097 0.235,1098 10.292,1099 12.367,1100 3.184,1101 20.589,1102 10.174,1103 3.407,1104 -0.332,1105 18.411,1106 -0.262,1107 11.363,1108 13.623,1109 2.825,1110 23.015,1111 11.234,1112 2.988,1113 12.664,1114 20.311,1115 -0.789,1116 12.589,1117 15.15,1118 3.653,1119 25.555,1120 12.446,1121 2.546,1122 10.404,1123 22.221,1124 4.38,1125 13.737,1126 16.506,1127 3.415,1128 28.041,1129 13.581,1130 2.382,1131 8.461,1132 24.139,1133 3.844,1134 14.945,1135 17.993,1136 4.154,1137 30.571,1138 14.776,1139 2.123,1140 7.644,1141 26.064,1142 3.427,1143 16.128,1144 19.401,1145 4.015,1146 33.082,1147 15.945,1148 1.849,1149 6.381,1150 27.994,1151 3.088,1152 17.334,1153 20.873,1154 4.679,1155 35.611,1156 17.138,1157 1.668,1158 5.098,1159 29.93,1160 2.791,1161 18.534,1162 22.308,1163 4.622,1164 38.135,1165 18.323,1166 7020,1167 10636,1168 19.997,1169 34.302,1170 45.509,1171 45.613,1172 47.586,1173 45.012,1174 45.018,1175 56.981,1176 7.124,1177 134.333,1178 44.015,1179 5.661,1180 5.793,1181 6.994,1182 5.447,1183 5.407,1184 7.38,1185 2.576,1186 20.359,1187 5.36,1188 12.702,1189 1.517,1190 1.52,1191 1.586,1192 1.5,1193 1.501,1194 1.899,1195 0.237,1196 4.478,1197 1.467,1198 4.089,1199 4.119,1200 4.052,1201 4.009,1202 6.473,1203 4.015,1204 3.873,1205 3.909,1206 3.8,1207 3.805,1208 5.123,1209 3.799,1210 3.719,1211 3.755,1212 3.643,1213 3.605,1214 4.813,1215 3.608,1216 3.518,1217 3.576,1218 3.378,1219 3.324,1220 4.715,1221 3.327,1222 3.381,1223 3.454,1224 3.224,1225 3.223,1226 4.519,1227 3.21,1228 3.182,1229 3.245,1230 3.054,1231 3.006,1232 4.363,1233 3.006,1234 3.104,1235 3.194,1236 2.914,1237 2.925,1238 3.971,1239 2.908,1240 2.936,1241 2.995,1242 2.808,1243 2.741,1244 3.811,1245 2.753,1246 0.157,1247 0.126,1248 0.24,1249 0.146,1250 0.114,1251 4.716,1252 0.146,1253 3.793,1254 0.045,1255 7.192,1256 0.422,1257 4.393,1258 0.112,1259 3.407,1260 4.38,1261 1.36,1262 12.664,1263 3.36,1264 2.034,1265 2.008,1266 2.125,1267 2.133,1268 1.427,1269 2.13,1270 1.881,1271 1.847,1272 2.028,1273 1.976,1274 1.258,1275 1.995,1276 1.697,1277 1.661,1278 1.855,1279 1.845,1280 0.964,1281 1.85,1282 1.482,1283 1.421,1284 1.789,1285 1.723,1286 0.93,1287 1.745,1288 1.381,1289 1.317,1290 1.619,1291 1.576,1292 0.773,1293 1.594,1294 1.155,1295 1.093,1296 1.453,1297 1.38,1298 0.722,1299 1.389,1300 1.117,1301 1.034,1302 1.387,1303 1.354,1304 0.566,1305 1.383,1306 0.886,1307 0.838,1308 1.181,1309 1.183,1310 0.218,1311 1.183,1312 4.111,1314 5.451,1316 7.018,1318 8.7,1320 10.445,1322 3.741,1326 6.68,1327 10.646,1328 4.545,1330 5.464,1332 -0.245,1340 32.289,1341 75.464,1342 192.962,1343 246.549,1344 260.158,1345 266.913,1346 266.913,1347 47.316,1348 7.754,1349 80.73,1350 80.73,1351 24,1352 12.87,1353 3.907,1354 3.17,1355 39.615,1356 79,1357 95,1358 0.245,1359 197.185,1360 347.38,1361 472.89,1362 22581,1364 18.966,1365 0.702,1366 0.586,1367 18.966,1368 15.827,1369 13.113,1370 0.437,1371 0.32,1372 9.502,1373 12.741,1374 9.235,1375 7.652,1376 13.113,1377 9.59,1378 11.672,1379 0.271,1380 0.165,1381 11.672,1382 7.088,1383 10.216,1384 0.165,1385 0.087,1386 10.216,1387 5.421,1388 9.406,1389 0.105,1390 0.047,1391 9.406,1392 4.188,1393 7.858,1394 0.063,1395 0.025,1396 7.858,1397 3.119,1398 0.361,1399 81.271,1400 0.224,1401 24.836,1402 0.757,1403 146,1404 368.488,1405 157.057,1406 360.957,1407 508.65,1408 340,1409 178,1410 388.964,1411 188.645,1412 394.221,1413 587.46,1414 374,1415 6.918}
{0 CHEMBL218940,1 1.487,2 8.552,3 3.776,4 14.255,5 114.145,6 7.027,7 0.375,8 4.119,9 4.235,10 3.633,11 3.642,12 5.197,13 3.618,14 4.667,15 4.841,16 4.007,17 4.05,18 5.683,19 4.002,20 4.9,21 5.092,22 4.17,23 4.239,24 5.865,25 4.186,26 5.014,27 5.197,28 4.268,29 4.315,30 6.124,31 4.262,32 5.144,33 5.352,34 4.269,35 4.373,36 6.191,37 4.31,38 5.161,39 5.368,40 4.268,41 4.388,42 6.234,43 4.307,44 5.212,45 5.446,46 4.14,47 4.35,48 6.21,49 4.233,50 5.148,51 5.402,52 3.831,53 4.208,54 6.021,55 4.051,56 0.044,57 0.789,58 12.488,59 5.388,60 12.064,61 7.078,62 0.285,63 1.272,64 23.247,65 9.172,66 29.537,67 12.399,68 0.234,69 1.609,70 29.65,71 10.988,72 29.286,73 15.283,74 0.391,75 1.807,76 33.311,77 11.875,78 54.875,79 16.494,80 0.443,81 1.968,82 39.154,83 12.971,84 63.015,85 18.243,86 0.502,87 1.994,88 39.411,89 13.781,90 71.328,91 19.498,92 0.733,93 1.972,94 42.787,95 14.818,96 76.361,97 21.077,98 0.426,99 1.765,100 40.667,101 14.249,102 58.248,103 20.127,104 32,105 46,106 0.245,107 0.618,108 0.827,109 0.868,110 0.88,111 0.88,112 3.41,113 0.948,114 -4.12,115 -4.06,116 -3.84,121 41.1,122 2,123 4,124 1,126 1,127 1,138 1,141 1,144 4,145 3,146 2,148 1,149 1,158 1,165 1,166 1,167 1,176 11,179 1,180 10,183 1,185 3,187 15,189 2,192 7,197 3,200 12,203 2,205 1,206 12,208 2,209 3,211 8,214 11,216 4,219 10,224 5,227 12,229 3,231 1,232 6,234 1,235 2,236 1,237 4,238 1,239 14,241 2,243 3,244 6,246 1,247 2,249 3,251 13,253 1,256 4,261 3,264 8,266 1,269 4,274 1,277 5,281 1372,282 19.792,283 19.792,284 19.792,285 19.792,286 19.792,287 17.778,288 26.653,289 11.594,290 20.236,291 15.693,292 15.693,293 15.693,294 15.693,295 15.693,296 12.534,297 32.121,298 5.311,299 16.23,300 4.32,301 2.057,302 0.79,303 0.54,304 0.469,305 0.469,306 4.104,311 1,312 1,313 530,314 3.317,318 244.587,322 195.378,325 1.191,326 29.979,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 62.5,338 248,339 4.718,340 3.795,341 7.193,342 4.395,343 3.409,344 4.381,345 1.36,346 12.67,347 3.362,348 4.341,349 3.257,350 6.601,351 3.977,352 2.991,353 3.865,354 1.216,355 10.408,356 2.948,357 4.051,358 3.003,359 6.059,360 3.628,361 2.653,362 3.612,363 0.986,364 8.496,365 2.588,366 3.752,367 2.818,368 5.783,369 3.409,370 2.43,371 3.097,372 0.86,373 7.902,374 2.375,375 3.58,376 2.713,377 5.356,378 3.166,379 2.226,380 2.865,382 6.736,383 2.086,384 3.322,385 2.394,386 5.188,387 2.984,388 2.021,389 2.567,391 6.071,392 1.938,393 3.162,394 2.193,395 4.848,396 2.808,397 1.848,398 2.28,400 5.089,401 1.769,402 2.737,403 1.815,404 4.459,405 2.435,406 1.449,407 1.821,409 3.915,410 1.428,411 2.506,412 1.497,413 3.862,414 2.363,415 1.392,416 1.504,418 3.075,419 1.346,420 2.461,421 1.468,422 3.654,423 2.138,424 1.155,425 1.448,427 2.626,428 1.133,429 2.112,430 1.302,431 3.501,432 1.957,433 1,434 1.067,436 2.362,437 0.951,438 1.952,439 1.149,440 3.389,441 1.802,442 0.835,443 0.903,445 1.577,446 0.803,447 1.583,448 0.936,449 3.082,450 1.293,451 0.428,452 0.48,454 0.622,455 0.367,456 1.333,457 0.508,458 2.849,459 1.05,460 0.09,461 0.105,463 0.235,464 0.086,465 1.059,466 0.227,467 2.694,468 0.859,469 -0.101,470 -0.113,472 -0.262,473 -0.097,474 13.7,475 0.472,476 0.713,477 0.025,478 35,479 1.207,480 16.5,481 0.569,482 18.5,483 0.638,484 29.744,485 1.026,486 31.9,487 0.57,488 27.531,489 0.949,490 6.608,491 0.228,492 7.437,493 0.256,494 0.163,496 0.401,501 0.942,502 1.217,503 0.858,504 1.098,505 1.027,506 0.983,507 0.871,508 1.035,509 0.797,510 0.93,511 0.598,512 0.871,513 1.01,514 1.116,515 0.865,516 0.948,517 0.884,518 0.892,519 1.033,520 1.185,521 1.006,522 1.102,523 1.212,524 1.053,525 1.346,526 1.066,527 1.065,528 0.958,529 1.464,530 0.957,531 0.963,532 1.143,533 1.052,534 1.13,535 1.002,536 1.101,537 0.882,538 1.031,539 1.063,540 1.094,541 1.003,542 1.101,543 1.133,544 1.091,545 1.156,546 1.16,547 1.066,548 1.167,549 5,550 0.041,551 3.111,552 2.875,553 2.756,554 1.597,555 1.079,556 0.703,557 0.303,558 0.149,559 8654,560 20488,561 2.07,562 48.2,563 7,564 9,567 3,568 5,569 3,572 1.733,573 1.912,574 3.051,575 0.857,577 1,582 83.278,583 1.487,584 3.75,585 5.017,586 5.267,587 5.338,588 5.338,589 2.462,590 4.651,591 4.827,592 3.204,593 1300.78,594 8.482,595 16642.2,597 1,599 1,600 325.212,601 1.487,602 4.777,603 0.156,604 0.005,605 0.068,606 0.053,607 0.048,608 0.028,609 0.02,610 0.015,611 0.009,612 0.009,613 0.412,614 0.33,615 1,616 1.206,617 141.695,618 -0.067,619 -0.022,620 0.042,621 0.014,622 -0.116,623 0.043,624 0.1,625 0.047,626 0.149,627 0.127,628 0.148,629 0.139,630 -0.078,631 -0.027,632 0.086,633 0.079,634 -0.068,635 0.102,636 0.022,637 -0.065,638 -0.041,639 -0.1,640 0.035,641 -0.087,642 -0.185,643 0.005,644 -0.073,645 0.014,646 -0.143,647 -0.005,648 0.055,649 -0.074,650 -0.081,651 -0.142,652 0.094,653 -0.132,654 0.161,655 -0.039,656 -0.077,657 -0.117,658 0.048,659 -0.128,660 -0.109,661 -0.166,662 -0.166,663 -0.182,664 -0.104,665 -0.184,666 1.788,667 4.742,668 0.69,669 23.218,670 0.998,671 1.127,672 2.886,673 8.328,674 0.652,675 3.497,676 3.85,677 4.205,678 4.564,679 4.883,680 5.063,681 5.257,682 5.434,683 5.557,684 5.541,685 5.377,686 0.617,687 393.53,688 3.497,689 5.056,690 5.943,691 6.86,692 7.773,693 8.703,694 9.627,695 10.563,696 11.493,697 12.432,698 5.4,702 1,707 1,708 1,715 4,716 1,720 7,722 12,733 1,739 1,741 56,743 14,744 1,745 32,747 59,748 23,749 11,750 2,751 4,752 3,756 4,757 7,763 2,767 4,768 1,770 4,772 14,773 9,774 1,777 2,785 1,786 3,790 1,793 27,794 6,795 3,796 6,802 3,808 0.5,809 3,822 1,829 4,833 2,839 1,850 1,857 1,858 1,859 2,864 3,868 29,869 1,875 1,876 5,878 2,880 1,893 5.4,895 1,897 1,898 1,901 15.167,902 10.933,903 6.5,904 3.597,907 2.921,908 1.368,909 0.965,910 5.616,911 10.853,912 3.714,913 4.331,914 4.942,915 5.562,916 6.162,917 6.557,918 7.005,919 7.431,920 7.795,921 7.992,922 0.833,923 54,924 10.77,926 4.615,927 0.026,929 7.655,931 20.776,933 17.328,936 2.155,937 62.5,939 1,940 1,941 282.506,942 110.773,943 66.468,945 64.683,948 110.773,949 347.19,950 66.468,951 28.533,952 14.731,953 70.802,954 73.226,955 52.304,956 2.328,957 282.506,959 282.506,960 177.241,961 64.683,964 247.193,965 88.997,966 11,968 51.923,969 108.532,970 16.786,972 282.506,973 131.151,974 110.773,977 282.506,978 44.334,979 66.438,981 131.151,982 282.506,983 131.151,984 110.773,986 0.577,987 0.358,988 0.213,989 0.124,990 23,991 11,992 0.068,993 4,994 2,995 1.2,996 3.742,997 280.152,998 0.2,999 20,1000 140.881,1005 19.931,1006 8.172,1007 3.537,1009 131.151,1010 7.805,1011 4.879,1015 6.069,1017 75.581,1018 524.43,1019 40,1027 4.714,1028 1.181,1031 55.891,1032 63.106,1034 0.256,1035 0.646,1036 0.864,1037 0.907,1038 0.919,1039 0.919,1040 4.984,1041 1.449,1042 5.948,1043 5.089,1044 4.533,1045 5.017,1046 2.318,1047 6.843,1048 4.477,1049 6.206,1050 1.392,1051 7.555,1052 3.915,1053 4.205,1054 4.924,1055 1.06,1056 7.912,1057 4.141,1058 7.542,1059 1.155,1060 9.268,1061 3.075,1062 6.192,1063 7.235,1064 2.502,1065 11.099,1066 6.101,1067 8.916,1068 1,1069 11.042,1070 2.626,1071 6.698,1072 7.941,1073 1.679,1074 13.017,1075 6.602,1076 10.323,1077 0.835,1078 12.858,1079 2.362,1080 8.169,1081 9.75,1082 2.812,1083 15.746,1084 8.055,1085 11.754,1086 0.428,1087 14.701,1088 1.577,1089 9.059,1090 10.824,1091 2.248,1092 18.019,1093 8.939,1094 13.203,1095 0.09,1096 16.566,1097 0.622,1098 10.342,1099 12.43,1100 3.209,1101 20.602,1102 10.208,1103 3.409,1104 -0.101,1105 18.447,1106 0.235,1107 11.407,1108 13.69,1109 2.825,1110 23.025,1111 11.264,1112 2.991,1113 12.67,1114 20.341,1115 -0.262,1116 12.627,1117 15.208,1118 3.664,1119 25.564,1120 12.472,1121 2.653,1122 10.408,1123 22.246,1124 4.381,1125 13.771,1126 16.563,1127 3.415,1128 28.049,1129 13.605,1130 2.43,1131 8.496,1132 24.16,1133 3.865,1134 14.975,1135 18.044,1136 4.159,1137 30.578,1138 14.797,1139 2.226,1140 7.902,1141 26.081,1142 3.612,1143 16.155,1144 19.449,1145 4.015,1146 33.09,1147 15.964,1148 2.021,1149 6.736,1150 28.009,1151 3.097,1152 17.358,1153 20.916,1154 4.682,1155 35.618,1156 17.155,1157 1.848,1158 6.071,1159 29.942,1160 2.865,1161 18.555,1162 22.349,1163 4.622,1164 38.142,1165 18.339,1166 8454,1167 13132,1168 21.096,1169 36.517,1170 48.218,1171 48.877,1172 51.201,1173 47.772,1174 47.858,1175 59.988,1176 8.844,1177 143.569,1178 46.36,1179 5.663,1180 5.795,1181 6.962,1182 5.449,1183 5.409,1184 7.381,1185 2.576,1186 20.365,1187 5.362,1188 15.12,1189 1.507,1190 1.527,1191 1.6,1192 1.493,1193 1.496,1194 1.875,1195 0.276,1196 4.487,1197 1.449,1198 4.091,1199 4.12,1200 4.055,1201 4.01,1202 6.473,1203 4.017,1204 3.883,1205 3.912,1206 3.819,1207 3.805,1208 5.124,1209 3.804,1210 3.725,1211 3.759,1212 3.653,1213 3.606,1214 4.868,1215 3.612,1216 3.519,1217 3.577,1218 3.379,1219 3.324,1220 4.778,1221 3.328,1222 3.381,1223 3.454,1224 3.225,1225 3.223,1226 4.522,1227 3.21,1228 3.263,1229 3.325,1230 3.108,1231 3.028,1232 4.379,1233 3.036,1234 3.165,1235 3.233,1236 3.013,1237 2.948,1238 4.35,1239 2.95,1240 3.102,1241 3.189,1242 2.908,1243 2.915,1244 3.971,1245 2.899,1246 0.147,1247 0.119,1248 0.225,1249 0.137,1250 0.107,1251 4.718,1252 0.137,1253 3.795,1254 0.043,1255 7.193,1256 0.396,1257 4.395,1258 0.105,1259 3.409,1260 4.381,1261 1.36,1262 12.67,1263 3.362,1264 2.032,1265 2.008,1266 2.121,1267 2.133,1268 1.427,1269 2.129,1270 1.877,1271 1.848,1272 2.015,1273 1.981,1274 1.259,1275 1.992,1276 1.696,1277 1.663,1278 1.849,1279 1.852,1280 0.964,1281 1.851,1282 1.482,1283 1.421,1284 1.788,1285 1.724,1286 0.93,1287 1.745,1288 1.381,1289 1.317,1290 1.62,1291 1.576,1292 0.773,1293 1.595,1294 1.209,1295 1.143,1296 1.569,1297 1.512,1298 0.722,1299 1.531,1300 1.138,1301 1.069,1302 1.453,1303 1.373,1304 0.588,1305 1.389,1306 1.113,1307 1.031,1308 1.381,1309 1.352,1310 0.546,1311 1.376,1312 4.174,1314 5.517,1316 7.084,1318 8.763,1320 10.504,1322 5.353,1326 6.719,1327 10.742,1328 4.439,1330 10.927,1332 -0.33,1340 34.53,1341 83.278,1342 210.018,1343 280.947,1344 294.947,1345 298.947,1346 298.947,1347 54.074,1348 7.932,1349 89.96,1350 89.96,1351 24,1352 12.93,1353 3.907,1354 3.17,1355 44.048,1356 88,1357 105,1358 0.24,1359 210.773,1360 373.47,1361 506.047,1362 28325,1364 20.543,1365 0.708,1366 0.592,1367 20.543,1368 17.158,1369 14.045,1370 0.439,1371 0.316,1372 9.983,1373 13.515,1374 9.67,1375 8.028,1376 14.045,1377 10.113,1378 12.475,1379 0.271,1380 0.162,1381 12.475,1382 7.454,1383 10.967,1384 0.166,1385 0.087,1386 10.967,1387 5.715,1388 9.94,1389 0.105,1390 0.046,1391 9.94,1392 4.363,1393 8.285,1394 0.063,1395 0.025,1396 8.285,1397 3.245,1398 0.355,1399 87.978,1400 0.218,1401 26.404,1402 0.735,1403 156,1404 424.223,1405 169.936,1406 407.323,1407 569.02,1408 384,1409 190,1410 429.509,1411 203.303,1412 434.895,1413 645.23,1414 410,1415 7.237}
{0 CHEMBL219063,1 1.558,2 14.722,3 3.759,4 14.129,5 137.021,6 7.245,7 0.436,8 4.311,9 4.428,10 3.845,11 3.796,12 5.412,13 3.786,14 4.858,15 5.033,16 4.169,17 4.173,18 5.903,19 4.14,20 5.08,21 5.276,22 4.323,23 4.323,24 6.153,25 4.279,26 5.148,27 5.346,28 4.309,29 4.326,30 6.231,31 4.283,32 5.21,33 5.417,34 4.248,35 4.34,36 6.305,37 4.271,38 5.199,39 5.424,40 4.106,41 4.325,42 6.231,43 4.215,44 5.211,45 5.473,46 3.977,47 4.221,48 6.286,49 4.093,50 5.038,51 5.294,52 3.773,53 4.06,54 6.007,55 3.927,56 0.087,57 0.97,58 14.602,59 6.331,60 9.864,61 8.212,62 0.434,63 1.504,64 28.17,65 10.192,66 36.884,67 13.785,68 0.614,69 1.842,70 35.887,71 12.29,72 57.454,73 17.322,74 0.627,75 1.946,76 38.818,77 12.167,78 64.413,79 17.215,80 1.081,81 1.969,82 42.771,83 13.142,84 90.999,85 18.328,86 0.712,87 1.927,88 41.851,89 14.142,90 71.619,91 19.954,92 0.864,93 1.794,94 44.707,95 14.061,96 124.818,97 20.343,98 0.642,99 1.509,100 37.377,101 12.026,102 84.267,103 17.155,104 35,105 53,106 0.245,107 0.571,108 0.735,109 0.817,110 0.837,111 0.856,112 3.615,113 0.93,114 -3.22,115 -3.21,116 -3.08,121 39.7,123 6,126 3,127 1,144 6,145 3,146 4,148 2,160 2,173 1,176 11,180 8,183 2,185 5,187 10,191 2,192 11,195 1,197 9,200 6,205 1,206 6,209 1,211 7,214 7,218 2,219 3,222 4,223 1,224 6,227 13,231 1,232 2,235 1,236 1,237 2,239 12,243 2,244 8,247 1,249 1,251 8,256 8,259 1,261 5,264 6,269 1,274 4,277 2,281 2364,282 24.8,283 24.8,284 24.8,285 24.8,286 24.8,287 22.542,288 27.59,289 14.718,290 25.443,291 19.061,292 19.061,293 19.061,294 19.061,295 19.061,296 15.218,297 25.15,298 6.691,299 19.76,300 4.529,301 2.465,302 1.42,303 0.901,304 0.772,305 0.651,306 4.312,312 1,313 1141,314 4.416,318 413.227,322 322.022,325 2.117,326 39.394,329 1,330 0.5,331 0.83,332 1,333 1,334 1,335 1,336 0.9,337 79,338 530,339 4.641,340 3.584,341 6.83,342 4.208,343 3.227,344 4.564,345 1.886,346 11.349,347 3.165,348 4.454,349 3.57,350 6.547,351 4.051,352 3.093,353 4.141,354 1.058,355 10.344,356 2.971,357 3.921,358 3.35,359 5.982,360 3.59,361 2.606,362 3.438,363 0.86,364 8.37,365 2.536,366 3.915,367 3.314,368 5.955,369 3.524,370 2.532,371 3.272,372 0.86,373 8.294,374 2.512,375 3.672,376 2.666,377 5.389,378 3.395,379 2.388,380 2.924,381 0.86,382 6.754,383 2.395,384 3.488,385 2.555,386 5.19,387 3.088,388 2.12,389 2.782,391 6.118,392 2.044,393 3.355,394 2.314,395 5.021,396 2.972,397 2.061,398 2.604,400 6.023,401 1.867,402 2.937,403 2.097,404 4.337,405 2.608,406 1.646,407 2.141,409 4.111,410 1.578,411 2.917,412 1.797,413 4.116,414 2.513,415 1.524,416 1.984,418 3.329,419 1.506,420 2.603,421 1.733,422 3.899,423 2.345,424 1.347,425 1.636,427 3.328,428 1.343,429 2.489,430 1.623,431 3.723,432 2.249,433 1.281,434 1.488,436 2.902,437 1.24,438 2.444,439 1.449,440 3.594,441 2.242,442 1.247,443 1.405,445 2.857,446 1.234,447 2.148,448 1.35,449 3.577,450 1.992,451 1.064,452 1.125,454 2.417,455 0.983,456 2.122,457 1.243,458 3.399,459 1.876,460 0.947,461 1.064,463 2.042,464 0.863,465 1.68,466 1.038,467 2.991,468 1.445,469 0.462,470 0.534,472 1.056,473 0.452,474 16.767,475 0.466,476 0.708,477 0.02,478 44,479 1.222,480 21,481 0.583,482 23,483 0.639,484 34.196,485 0.95,486 40.233,487 0.592,488 36.606,489 1.017,490 8.772,491 0.244,492 8.777,493 0.244,494 0.129,496 0.328,501 0.794,502 1.281,503 0.811,504 1.177,505 0.582,506 1.019,507 1.04,508 1.079,509 0.887,510 0.946,511 0.671,512 0.898,513 0.845,514 1.179,515 0.856,516 1.017,517 0.92,518 0.945,519 1.158,520 1.221,521 1.072,522 1.099,523 1.251,524 1.059,525 1.221,526 0.968,527 1.19,528 0.977,529 1.096,530 1.057,531 0.969,532 1.1,533 1.161,534 1.17,535 1.079,536 1.194,537 0.985,538 0.891,539 1.009,540 0.944,541 1.368,542 0.977,543 1.104,544 0.961,545 1.07,546 0.991,547 1.49,548 1.028,549 6,550 0.194,551 4.222,552 2.563,553 2.484,554 1.222,555 0.709,556 0.403,557 0.221,558 0.172,559 21853,560 57623,561 2.056,562 47.1,563 6,564 17,567 3,568 4,569 2,572 1.769,573 1.929,574 3.758,575 0.801,582 105.956,583 1.558,584 3.623,585 4.667,586 5.186,587 5.315,588 5.437,589 3.096,590 4.482,591 5.15,592 4.022,593 2534.12,594 9.013,595 43747.6,600 413.947,601 1.389,602 5.102,603 0.154,604 0.007,605 0.08,606 0.043,607 0.044,608 0.024,609 0.016,610 0.011,611 0.007,612 0.006,613 0.39,614 0.33,615 0.88,616 0.838,617 201.002,618 -0.019,619 -0.037,620 0.051,621 -0.048,622 -0.008,623 0.007,624 -0.051,625 0.023,626 0.056,627 0.099,628 0.028,629 0.094,630 0.093,631 -0.101,632 0.098,633 -0.001,634 0.027,635 0.042,636 -0.091,637 -0.126,638 -0.095,639 -0.127,640 -0.124,641 -0.11,642 -0.022,643 0.079,644 -0.185,645 -0.022,646 -0.029,647 -0.119,648 -0.036,649 -0.089,650 -0.192,651 -0.178,652 -0.035,653 -0.208,654 0.012,655 0.023,656 0.002,657 0.011,658 0.073,659 0.006,660 -0.093,661 -0.054,662 -0.063,663 -0.022,664 -0.107,665 -0.038,666 1.956,667 5.615,668 0.556,669 37.667,670 1.006,671 1.13,672 1.988,673 3.953,674 0.646,675 3.689,676 3.989,677 4.29,678 4.554,679 4.804,680 4.86,681 4.949,682 4.949,683 4.963,684 4.844,685 9.04,686 0.618,687 492.63,688 3.689,689 5.22,690 6.075,691 6.952,692 7.828,693 8.713,694 9.596,695 10.485,696 11.373,697 12.264,698 5.9,703 1,705 2,708 1,714 2,715 6,716 1,720 7,722 17,729 1,739 3,741 68,743 19,744 2,745 39,747 71,748 27,749 15,750 6,751 6,752 1,756 4,757 7,767 4,770 6,772 17,773 10,777 2,782 2,786 2,793 32,794 9,795 3,796 9,802 4,806 1,808 0.5,809 5,822 1,829 4,833 2,859 2,864 3,868 36,876 7,877 3,878 3,893 7.4,896 2,898 3,901 18.667,902 13.033,903 8.278,904 4.079,907 3.309,908 1.409,909 0.965,910 8.888,911 11.403,912 3.922,913 4.5,914 5.104,915 5.681,916 6.261,917 6.554,918 6.873,919 7.08,920 7.338,921 7.194,922 1,923 60,924 13.353,926 5.587,927 0.026,929 7.773,931 25.434,933 20.459,936 2.273,937 81.833,941 341.362,942 148.561,943 70.573,945 83.29,948 148.561,949 424.651,950 70.573,951 32.649,952 53.212,953 56.857,954 94.373,955 65.332,957 341.362,959 341.362,960 219.134,961 83.29,964 317.82,965 106.832,968 58.113,969 126.347,970 34.674,972 341.362,973 153.862,974 148.561,977 341.362,978 59.054,979 89.507,980 53.787,981 100.075,982 341.362,983 153.862,984 148.561,986 0.566,987 0.349,988 0.197,989 0.111,990 23,991 11,992 0.141,993 10,994 2,995 1.2,996 4.657,997 330.583,998 0.2,999 20,1000 178.117,1005 26.049,1006 12.283,1007 6.045,1008 1.917,1009 153.862,1010 11.139,1011 4.821,1015 4.814,1017 53.787,1018 643.785,1019 49.5,1024 25.139,1028 -0.44,1031 68.414,1032 76.853,1034 0.256,1035 0.595,1036 0.767,1037 0.852,1038 0.873,1039 0.893,1040 5.155,1041 1.646,1042 6.047,1043 6.023,1044 4.673,1045 5.187,1046 2.596,1047 6.868,1048 4.611,1049 6.348,1050 1.524,1051 7.611,1052 4.111,1053 4.205,1054 5.075,1055 1.593,1056 7.818,1057 4.136,1058 7.661,1059 1.347,1060 9.28,1061 3.329,1062 6.267,1063 7.416,1064 3.144,1065 10.939,1066 6.157,1067 9.014,1068 1.281,1069 11.012,1070 3.328,1071 6.661,1072 8.159,1073 2.98,1074 12.734,1075 6.533,1076 10.403,1077 1.247,1078 12.786,1079 2.902,1080 8.158,1081 9.985,1082 4.066,1083 15.374,1084 8.003,1085 11.818,1086 1.064,1087 14.587,1088 2.857,1089 8.955,1090 11.118,1091 4.33,1092 17.514,1093 8.773,1094 13.251,1095 0.947,1096 16.408,1097 2.417,1098 10.23,1099 12.748,1100 5.191,1101 19.997,1102 10.025,1103 3.227,1104 0.462,1105 18.244,1106 2.042,1107 11.217,1108 14.069,1109 5.648,1110 22.284,1111 10.983,1112 3.093,1113 11.349,1114 20.091,1115 1.056,1116 12.407,1117 15.619,1118 6.399,1119 24.714,1120 12.15,1121 2.606,1122 10.344,1123 21.947,1124 4.564,1125 13.482,1126 17.032,1127 6.944,1128 27.067,1129 13.197,1130 2.532,1131 8.37,1132 23.811,1133 4.141,1134 14.642,1135 18.549,1136 7.64,1137 29.481,1138 14.334,1139 2.388,1140 8.294,1141 25.681,1142 3.438,1143 15.759,1144 20.008,1145 8.228,1146 31.864,1147 15.424,1148 2.12,1149 6.754,1150 27.556,1151 3.272,1152 16.911,1153 21.514,1154 8.895,1155 34.274,1156 16.553,1157 2.061,1158 6.118,1159 29.435,1160 2.924,1161 18.048,1162 22.995,1163 9.506,1164 36.673,1165 17.664,1166 20845,1167 34009,1168 25.948,1169 43.955,1170 56.769,1171 59.934,1172 60.054,1173 56.705,1174 56.863,1175 72.199,1176 11.048,1177 161.377,1178 54.936,1179 5.599,1180 5.584,1181 6.517,1182 5.249,1183 5.227,1184 7.564,1185 3.272,1186 18.88,1187 5.165,1188 18.646,1189 1.456,1190 1.537,1191 1.54,1192 1.454,1193 1.458,1194 1.851,1195 0.283,1196 4.138,1197 1.409,1198 4.113,1199 4.144,1200 4.074,1201 4.038,1202 7.431,1203 4.043,1204 3.958,1205 3.966,1206 3.924,1207 3.855,1208 7.427,1209 3.869,1210 3.734,1211 3.782,1212 3.627,1213 3.65,1214 4.987,1215 3.636,1216 3.721,1217 3.776,1218 3.608,1219 3.543,1220 4.952,1221 3.548,1222 3.481,1223 3.538,1224 3.412,1225 3.211,1226 4.58,1227 3.247,1228 3.321,1229 3.377,1230 3.2,1231 3.148,1232 4.462,1233 3.157,1234 3.303,1235 3.355,1236 3.144,1237 3.006,1238 4.42,1239 3.026,1240 3.223,1241 3.293,1242 3.071,1243 2.984,1244 4.297,1245 2.997,1246 0.119,1247 0.092,1248 0.175,1249 0.108,1250 0.083,1251 4.641,1252 0.117,1253 3.584,1254 0.048,1255 6.83,1256 0.291,1257 4.208,1258 0.081,1259 3.227,1260 4.564,1261 1.886,1262 11.349,1263 3.165,1264 2.069,1265 2.044,1266 2.154,1267 2.161,1268 1.432,1269 2.16,1270 1.889,1271 1.881,1272 1.969,1273 2.019,1274 1.223,1275 2,1276 1.754,1277 1.709,1278 1.949,1279 1.891,1280 1.145,1281 1.902,1282 1.682,1283 1.625,1284 1.899,1285 1.872,1286 1.074,1287 1.891,1288 1.356,1289 1.303,1290 1.59,1291 1.67,1292 0.758,1293 1.632,1294 1.271,1295 1.226,1296 1.579,1297 1.558,1298 0.639,1299 1.565,1300 1.227,1301 1.163,1302 1.562,1303 1.524,1304 0.606,1305 1.535,1306 1.175,1307 1.101,1308 1.52,1309 1.492,1310 0.584,1311 1.507,1312 4.369,1314 5.673,1316 7.191,1318 8.813,1320 10.495,1322 4.498,1328 5.225,1329 8.822,1330 15.897,1340 42.035,1341 105.956,1342 246.357,1343 317.379,1344 352.663,1345 361.418,1346 369.683,1347 78.982,1348 8.094,1349 110.81,1350 110.81,1351 24,1352 12.793,1353 4.322,1354 3.524,1355 62.664,1356 204,1357 160,1358 0.148,1359 258.075,1360 455.07,1361 621.462,1362 46238,1364 25.493,1365 0.708,1366 0.581,1367 25.493,1368 20.902,1369 17.55,1370 0.45,1371 0.31,1372 11.868,1373 16.696,1374 11.552,1375 9.627,1376 17.55,1377 12.089,1378 14.901,1379 0.281,1380 0.162,1381 14.901,1382 8.583,1383 12.987,1384 0.18,1385 0.087,1386 12.987,1387 6.289,1388 10.815,1389 0.115,1390 0.048,1391 10.815,1392 4.475,1393 9.045,1394 0.075,1395 0.027,1396 9.045,1397 3.211,1398 0.242,1399 111.569,1400 0.196,1401 33.61,1402 0.378,1403 184,1404 583.321,1405 204.28,1406 546.612,1407 741.37,1408 514,1409 217,1410 535.003,1411 238.143,1412 540.253,1413 787.81,1414 505,1415 6.618}
{0 CHEMBL219172,1 1.568,2 8.5,3 3.998,4 15.98,5 107.898,6 7.336,7 0.387,8 4.051,9 4.168,10 3.597,11 3.596,12 5.166,13 3.575,14 4.597,15 4.766,16 3.991,17 4.01,18 5.687,19 3.967,20 4.868,21 5.066,22 4.144,23 4.187,24 5.906,25 4.14,26 4.951,27 5.137,28 4.218,29 4.241,30 6.108,31 4.196,32 5.053,33 5.259,34 4.213,35 4.298,36 6.13,37 4.241,38 5.088,39 5.296,40 4.202,41 4.311,42 6.225,43 4.234,44 5.121,45 5.362,46 3.99,47 4.244,48 6.116,49 4.125,50 5.034,51 5.308,52 3.802,53 4.046,54 6.175,55 3.886,56 0.053,57 0.809,58 10.903,59 5.016,60 11.91,61 6.358,62 0.236,63 1.318,64 20.579,65 8.719,66 28.161,67 11.48,68 0.288,69 1.69,70 28.391,71 10.641,72 43.821,73 14.229,74 0.448,75 1.785,76 30.616,77 11.004,78 61.856,79 14.724,80 0.443,81 1.856,82 34.797,83 11.784,84 65.01,85 16.205,86 0.547,87 1.959,88 36.005,89 12.761,90 76.599,91 17.517,92 0.46,93 1.952,94 38.85,95 13.599,96 65.082,97 18.685,98 0.82,99 1.789,100 37.69,101 13.139,102 120.889,103 18.533,104 29,105 45,106 0.262,107 0.644,108 0.814,109 0.846,110 0.859,111 0.859,112 3.376,113 0.938,114 -4.78,115 -4.69,116 -4.41,121 42.3,122 2,123 4,124 1,127 1,138 1,141 1,144 4,145 3,146 2,148 1,149 1,158 1,165 1,166 1,167 1,176 11,179 1,180 8,183 1,185 3,187 15,189 2,192 5,197 3,200 13,203 2,205 1,206 10,208 2,209 3,211 8,214 12,216 4,219 8,224 5,227 10,229 3,231 1,232 9,234 1,235 2,236 1,237 6,238 1,239 16,241 3,244 1,249 1,251 12,256 3,261 3,264 10,266 1,269 1,274 1,277 3,281 1232,282 18.922,283 18.922,284 18.922,285 18.922,286 18.922,287 16.856,288 23.967,289 11.055,290 19.25,291 15.249,292 15.249,293 15.249,294 15.249,295 15.249,296 12.106,297 26.824,298 5.145,299 15.722,300 4.133,301 1.851,302 0.837,303 0.644,304 0.567,305 0.567,306 4.07,310 1,311 1,312 1,313 511,314 3.162,318 234.088,322 188.456,325 1.179,326 36.39,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 61,338 238,339 4.717,340 3.794,341 7.192,342 4.394,343 3.408,344 4.381,345 1.36,346 12.665,347 3.361,348 4.338,349 3.256,350 6.601,351 3.975,352 2.989,353 3.854,354 1.216,355 10.404,356 2.946,357 4.006,358 2.995,359 6.056,360 3.581,361 2.601,362 3.572,363 0.986,364 8.465,365 2.551,366 3.75,367 2.849,368 5.739,369 3.395,370 2.419,371 3.098,373 7.69,374 2.357,375 3.588,376 2.754,377 5.31,378 3.16,379 2.222,380 2.889,382 6.473,383 2.075,384 3.353,385 2.412,386 5.021,387 2.992,388 2.032,389 2.621,391 5.871,392 1.938,393 3.163,394 2.196,395 4.847,396 2.808,397 1.848,398 2.281,400 5.09,401 1.769,402 2.57,403 1.818,404 4.471,405 2.427,406 1.435,407 1.569,409 3.943,410 1.421,411 2.5,412 1.484,413 3.861,414 2.321,415 1.36,416 1.5,418 3.074,419 1.3,420 2.479,421 1.461,422 3.654,423 2,424 1,425 1.476,427 2.424,428 1,429 2.113,430 1.241,431 3.414,432 1.96,433 1,434 1.067,436 2.275,437 0.954,438 1.977,439 1,440 3.402,441 1.834,442 0.876,443 0.933,445 1.606,446 0.833,447 1.341,448 0.554,449 3.089,450 1.056,451 0.096,452 0.112,454 0.248,455 0.092,456 1.195,457 0.453,458 2.849,459 0.889,460 -0.057,461 -0.066,463 -0.143,464 -0.053,465 1.052,466 0.204,467 2.639,468 0.815,469 -0.134,470 -0.154,472 -0.318,473 -0.126,474 13.152,475 0.47,476 0.751,477 0.027,478 33.75,479 1.205,480 16,481 0.571,482 17.75,483 0.634,484 28.111,485 1.004,486 30.648,487 0.589,488 26.317,489 0.94,490 6.327,491 0.226,492 7.18,493 0.256,494 0.154,496 0.418,499 1,501 0.779,502 1.053,503 0.802,504 1.028,505 0.76,506 0.938,507 0.621,508 1.025,509 0.738,510 0.998,511 0.495,512 0.917,513 0.968,514 1.049,515 0.857,516 0.932,517 0.85,518 0.88,519 0.982,520 1.012,521 1.001,522 1.048,523 0.958,524 1.026,525 1.066,526 0.891,527 1.025,528 0.944,529 0.893,530 0.96,531 0.882,532 1.009,533 1.067,534 1.111,535 0.777,536 1.118,537 1.009,538 1.02,539 1.136,540 1.121,541 0.96,542 1.145,543 0.634,544 0.955,545 0.939,546 1.097,547 0.71,548 1.093,549 5,550 0.045,551 3.333,552 2.75,553 2.796,554 1.646,555 1.01,556 0.715,557 0.258,558 0.171,559 7981,560 20967,561 2.072,562 46.2,563 7,564 6,567 3,568 5,569 3,572 1.723,573 1.909,574 3.036,575 0.882,577 1,582 81.521,583 1.568,584 3.85,585 4.864,586 5.056,587 5.133,588 5.133,589 2.455,590 4.111,591 4.776,592 3.192,593 1206.6,594 8.376,595 15009.1,597 1,599 1,600 296.423,601 1.497,602 4.723,603 0.161,604 0.006,605 0.074,606 0.053,607 0.052,608 0.03,609 0.02,610 0.018,611 0.009,612 0.012,613 0.436,614 0.33,615 1,616 1.131,617 135.241,618 -0.069,619 0.01,620 0.027,621 0.055,622 -0.087,623 0.061,624 0.123,625 -0.04,626 0.145,627 0.052,628 0.117,629 0.089,630 -0.081,631 -0.03,632 0.074,633 0.074,634 -0.052,635 0.1,636 -0.02,637 -0.015,638 -0.068,639 -0.074,640 -0.03,641 -0.08,642 -0.157,643 -0.01,644 -0.083,645 0.006,646 -0.102,647 -0.014,648 0.016,649 -0.069,650 -0.126,651 -0.144,652 0.036,653 -0.16,654 -0.11,655 -0.121,656 -0.168,657 -0.157,658 -0.113,659 -0.169,660 0.329,661 -0.017,662 0.073,663 -0.116,664 0.307,665 -0.087,666 1.985,667 5.56,668 0.714,669 22.286,670 1.004,671 1.131,672 3.551,673 12.608,674 0.658,675 3.466,676 3.829,677 4.174,678 4.533,679 4.86,680 5.03,681 5.209,682 5.416,683 5.493,684 5.489,685 5.289,686 0.628,687 381.49,688 3.466,689 5.03,690 5.916,691 6.834,692 7.747,693 8.677,694 9.602,695 10.537,696 11.467,697 12.406,698 5.8,702 1,707 1,708 1,715 4,716 1,720 7,722 12,733 1,740 1,741 52,743 14,744 1,745 31,747 55,748 22,749 11,750 2,751 4,752 3,756 4,757 7,763 2,767 4,768 1,770 4,772 14,773 8,774 1,777 2,785 1,786 3,790 1,791 1,793 24,794 6,795 3,796 6,802 3,808 0.5,809 2,822 1,829 4,833 2,839 1,850 1,857 1,858 1,859 2,864 2,866 1,868 28,869 1,875 1,876 5,878 1,880 1,892 1,893 3.8,895 1,897 1,901 14.667,902 9.91,903 6.167,904 3.425,907 2.878,908 1.367,909 0.979,910 5.114,911 10.725,912 3.689,913 4.317,914 4.92,915 5.535,916 6.147,917 6.529,918 6.972,919 7.424,920 7.751,921 7.956,922 0.833,923 52,924 10.438,926 4.577,927 0.026,929 7.821,931 19.888,933 16.81,936 2.321,937 65,939 1,940 1,941 247.193,942 103.767,943 66.468,945 53.683,946 14.96,948 103.767,949 300.876,950 81.428,951 17.65,952 14.731,953 70.802,954 73.226,955 45.182,956 17.288,957 247.193,959 247.193,960 170.235,961 68.643,964 226.84,965 77.997,966 11,968 51.923,969 101.527,970 16.786,972 262.153,973 120.151,974 103.767,977 247.193,978 48.212,979 55.555,981 135.112,982 247.193,983 135.112,984 103.767,986 0.584,987 0.355,988 0.209,989 0.124,990 23,991 11,992 0.055,993 3,994 2,995 1.2,996 3.682,997 266.949,998 0.2,999 20,1000 130.606,1005 18.95,1006 7.556,1007 3.321,1009 135.112,1010 6.238,1011 4.811,1015 4.591,1017 75.581,1018 486.072,1019 39,1027 4.646,1028 0.987,1031 52.192,1032 58.821,1034 0.275,1035 0.675,1036 0.853,1037 0.887,1038 0.9,1039 0.9,1040 4.963,1041 1.435,1042 5.927,1043 5.09,1044 4.511,1045 5.004,1046 2.161,1047 6.821,1048 4.457,1049 6.191,1050 1.36,1051 7.535,1052 3.943,1053 4.205,1054 4.924,1055 1.06,1056 7.892,1057 4.131,1058 7.53,1059 1,1060 9.248,1061 3.074,1062 6.172,1063 7.225,1064 2.408,1065 11.078,1066 6.083,1067 8.904,1068 1,1069 11.023,1070 2.424,1071 6.686,1072 7.933,1073 1.679,1074 13.001,1075 6.587,1076 10.312,1077 0.876,1078 12.839,1079 2.275,1080 8.15,1081 9.739,1082 2.762,1083 15.731,1084 8.039,1085 11.742,1086 0.096,1087 14.683,1088 1.606,1089 9.043,1090 10.811,1091 2.248,1092 18.008,1093 8.923,1094 13.19,1095 -0.057,1096 16.549,1097 0.248,1098 10.324,1099 12.417,1100 3.184,1101 20.592,1102 10.193,1103 3.408,1104 -0.134,1105 18.431,1106 -0.143,1107 11.391,1108 13.674,1109 2.825,1110 23.017,1111 11.25,1112 2.989,1113 12.665,1114 20.326,1115 -0.318,1116 12.611,1117 15.193,1118 3.653,1119 25.557,1120 12.459,1121 2.601,1122 10.404,1123 22.233,1124 4.381,1125 13.756,1126 16.547,1127 3.415,1128 28.042,1129 13.592,1130 2.419,1131 8.465,1132 24.148,1133 3.854,1134 14.961,1135 18.029,1136 4.154,1137 30.571,1138 14.785,1139 2.222,1140 7.69,1141 26.071,1142 3.572,1143 16.141,1144 19.434,1145 4.015,1146 33.083,1147 15.953,1148 2.032,1149 6.473,1150 28,1151 3.098,1152 17.345,1153 20.902,1154 4.679,1155 35.612,1156 17.144,1157 1.848,1158 5.871,1159 29.934,1160 2.889,1161 18.543,1162 22.335,1163 4.622,1164 38.135,1165 18.329,1166 7769,1167 12716,1168 20.403,1169 34.239,1170 47.082,1171 47.62,1172 49.831,1173 46.645,1174 46.573,1175 58.704,1176 7.124,1177 140.455,1178 45.195,1179 5.662,1180 5.794,1181 6.961,1182 5.447,1183 5.408,1184 7.381,1185 2.576,1186 20.359,1187 5.361,1188 14.774,1189 1.519,1190 1.536,1191 1.607,1192 1.505,1193 1.502,1194 1.894,1195 0.23,1196 4.531,1197 1.458,1198 4.09,1199 4.12,1200 4.054,1201 4.009,1202 8.201,1203 4.016,1204 3.881,1205 3.914,1206 3.822,1207 3.804,1208 6.473,1209 3.803,1210 3.724,1211 3.759,1212 3.655,1213 3.605,1214 5.122,1215 3.61,1216 3.518,1217 3.576,1218 3.379,1219 3.324,1220 4.802,1221 3.327,1222 3.381,1223 3.454,1224 3.224,1225 3.223,1226 4.611,1227 3.21,1228 3.187,1229 3.248,1230 3.074,1231 3.005,1232 4.515,1233 3.01,1234 3.106,1235 3.196,1236 2.929,1237 2.925,1238 4.362,1239 2.909,1240 2.957,1241 2.999,1242 2.856,1243 2.74,1244 3.971,1245 2.761,1246 0.152,1247 0.122,1248 0.232,1249 0.142,1250 0.11,1251 4.717,1252 0.141,1253 3.794,1254 0.044,1255 7.192,1256 0.409,1257 4.394,1258 0.108,1259 3.408,1260 4.381,1261 1.36,1262 12.665,1263 3.361,1264 2.032,1265 2.008,1266 2.121,1267 2.133,1268 1.427,1269 2.129,1270 1.875,1271 1.844,1272 2.012,1273 1.977,1274 1.256,1275 1.989,1276 1.693,1277 1.659,1278 1.843,1279 1.846,1280 0.955,1281 1.846,1282 1.482,1283 1.421,1284 1.787,1285 1.723,1286 0.925,1287 1.744,1288 1.381,1289 1.317,1290 1.617,1291 1.576,1292 0.773,1293 1.594,1294 1.15,1295 1.089,1296 1.453,1297 1.38,1298 0.722,1299 1.389,1300 1.116,1301 1.033,1302 1.375,1303 1.354,1304 0.554,1305 1.379,1306 0.886,1307 0.83,1308 1.181,1309 1.183,1310 0.218,1311 1.183,1312 4.143,1314 5.493,1316 7.062,1318 8.742,1320 10.484,1322 3.626,1324 13.56,1326 6.636,1327 10.627,1328 4.28,1330 5.414,1332 -0.417,1340 32.672,1341 81.521,1342 200.181,1343 252.913,1344 262.913,1345 266.913,1346 266.913,1347 58.449,1348 7.847,1349 80.73,1350 80.73,1351 24,1352 12.904,1353 3.907,1354 3.17,1355 41.832,1356 84,1357 100,1358 0.241,1359 198.383,1360 353.45,1361 475.814,1362 25340,1363 1.9,1364 19.836,1365 0.708,1366 0.576,1367 18.966,1368 16.127,1369 13.507,1370 0.436,1371 0.313,1372 9.576,1373 13.016,1374 9.329,1375 7.7,1376 13.113,1377 9.69,1378 12.294,1379 0.273,1380 0.161,1381 11.672,1382 7.229,1383 10.627,1384 0.166,1385 0.086,1386 10.216,1387 5.491,1388 9.558,1389 0.104,1390 0.046,1391 9.406,1392 4.197,1393 8.093,1394 0.063,1395 0.025,1396 7.858,1397 3.142,1398 0.356,1399 84.5,1400 0.221,1401 25.665,1402 0.737,1403 152,1404 462.599,1405 166.888,1406 423.05,1407 580,1408 396,1409 185,1410 432.297,1411 198.555,1412 430.731,1413 640.72,1414 408,1415 6.718}
{0 CHEMBL219262,1 1.547,2 10.567,3 4.13,4 17.054,5 114.763,6 7.409,7 0.515,8 4.113,9 4.222,10 3.676,11 3.619,12 5.225,13 3.613,14 4.649,15 4.813,16 4.011,17 3.997,18 5.693,19 3.975,20 4.839,21 5.013,22 4.186,23 4.151,24 5.934,25 4.12,26 4.928,27 5.11,28 4.171,29 4.156,30 6.018,31 4.122,32 5.013,33 5.214,34 4.096,35 4.162,36 6.099,37 4.103,38 4.99,39 5.209,40 3.953,41 4.141,42 6.038,43 4.036,44 4.985,45 5.248,46 3.816,47 4.028,48 6.021,49 3.915,50 4.744,51 4.986,52 3.707,53 3.881,54 5.759,55 3.795,56 0.071,57 0.779,58 11.424,59 5.185,60 8.504,61 6.487,62 0.344,63 1.217,64 22.291,65 8.358,66 27.359,67 10.789,68 0.462,69 1.497,70 26.822,71 9.964,72 36.972,73 13.505,74 0.443,75 1.622,76 29.753,77 10.056,78 40.88,79 13.654,80 0.874,81 1.667,82 34.407,83 10.729,84 65.491,85 14.54,86 0.647,87 1.606,88 33.441,89 11.636,90 56.008,91 16.138,92 0.657,93 1.487,94 35.797,95 11.499,96 82.536,97 16.261,98 0.449,99 1.206,100 27.273,101 9.087,102 59.325,103 12.474,104 26,105 46,106 0.255,107 0.584,108 0.713,109 0.786,110 0.812,111 0.837,112 3.441,113 0.903,114 -3.55,115 -3.52,116 -3.36,121 41.8,123 4,126 3,144 6,145 3,146 4,148 2,160 1,173 1,176 10,180 7,183 1,185 3,187 10,191 2,192 10,195 1,197 7,200 6,205 1,206 5,209 1,211 8,214 6,218 2,219 2,222 3,224 6,227 10,231 1,232 2,235 3,237 2,239 12,243 1,244 5,247 1,251 10,256 8,264 10,269 6,277 4,281 1352,282 20.817,283 20.817,284 20.817,285 20.817,286 20.817,287 18.714,288 21.133,289 12.159,290 21.424,291 16.095,292 16.095,293 16.095,294 16.095,295 16.095,296 12.554,297 17.788,298 5.456,299 16.761,300 4.234,301 2.232,302 1.446,303 1.005,304 0.846,305 0.696,306 4.139,311 1,312 1,313 686,314 3.536,318 293.427,322 229.139,325 1.453,326 28.573,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 65.5,338 317,339 4.641,340 3.58,341 6.83,342 4.209,343 3.228,344 4.564,345 0.98,346 11.349,347 3.166,348 4.453,349 3.356,350 6.547,351 4.05,352 3.092,353 4.141,354 0.86,355 10.344,356 2.971,357 3.927,358 3.308,359 5.982,360 3.59,361 2.604,362 3.438,363 0.86,364 8.37,365 2.538,366 3.908,367 2.666,368 5.955,369 3.524,370 2.532,371 3.273,372 0.86,373 8.298,374 2.512,375 3.513,376 2.555,377 5.38,378 3.114,379 2.155,380 2.888,382 6.706,383 2.064,384 3.355,385 2.315,386 5.19,387 2.972,388 2.061,389 2.604,391 6.118,392 1.867,393 2.941,394 2.093,395 4.336,396 2.529,397 1.548,398 2.143,400 4.053,401 1.516,402 2.88,403 1.778,404 4.116,405 2.466,406 1.484,407 1.947,409 3.329,410 1.449,411 2.595,412 1.623,413 3.89,414 2.345,415 1.347,416 1.623,418 3.275,419 1.343,420 2.488,421 1.449,422 3.671,423 2.242,424 1.247,425 1.487,427 2.902,428 1.24,429 2.176,430 1.35,431 3.594,432 1.997,433 1.119,434 1.162,436 2.478,437 0.977,438 2.09,439 1.242,440 3.516,441 1.837,442 0.884,443 1.019,445 2.017,446 0.83,447 1.658,448 0.99,449 2.957,450 1.356,451 0.396,452 0.452,454 0.815,455 0.359,456 1.576,457 0.916,458 2.859,459 1.27,460 0.374,461 0.447,463 0.603,464 0.342,465 1.4,466 0.67,467 2.774,468 1.142,469 0.281,470 0.314,472 0.378,473 0.244,474 14.033,475 0.468,476 0.602,477 0.02,478 38.75,479 1.292,480 19.5,481 0.65,482 19.25,483 0.642,484 26.091,485 0.87,486 32.767,487 0.596,488 30.677,489 1.023,490 7.76,491 0.259,492 6.896,493 0.23,494 0.131,496 0.356,501 0.812,502 1.199,503 0.781,504 1.128,505 0.626,506 0.973,507 1.168,508 1.003,509 0.856,510 0.85,511 0.769,512 0.808,513 0.75,514 1.239,515 0.806,516 1.046,517 0.765,518 0.952,519 1.077,520 1.326,521 1.044,522 1.169,523 1.167,524 1.098,525 1.254,526 1.009,527 1.193,528 0.964,529 1.01,530 1.041,531 0.884,532 1.096,533 1.135,534 1.139,535 1.064,536 1.175,537 1.036,538 0.773,539 0.942,540 0.801,541 1.924,542 0.844,543 1.158,544 0.746,545 0.958,546 0.768,547 1.987,548 0.811,549 5,550 0.231,551 3.778,552 2.313,553 2.244,554 1.111,555 0.587,556 0.316,557 0.254,558 0.314,559 11259,560 29174,561 2.087,562 45.5,563 6,564 15,567 2,568 2,572 1.731,573 1.957,574 3.355,575 0.21,577 1,582 85.082,583 1.547,584 3.549,585 4.335,586 4.776,587 4.935,588 5.086,589 2.643,590 4.107,591 4.885,592 3.535,593 1537.79,594 8.532,595 21254.3,597 1,599 1,600 317.975,601 1.4,602 4.839,603 0.152,604 0.007,605 0.082,606 0.044,607 0.045,608 0.025,609 0.015,610 0.009,611 0.008,612 0.01,613 0.396,614 0.33,615 1,616 0.883,617 152.902,618 -0.006,619 -0.013,620 0.061,621 -0.048,622 -0.008,623 0.009,624 -0.105,625 0.067,626 0.082,627 0.171,628 0.001,629 0.16,630 0.169,631 -0.155,632 0.121,633 -0.036,634 0.13,635 0.02,636 -0.038,637 -0.224,638 -0.092,639 -0.206,640 -0.069,641 -0.164,642 -0.027,643 0.045,644 -0.192,645 -0.03,646 0.02,647 -0.122,648 0.054,649 -0.09,650 -0.167,651 -0.164,652 0.044,653 -0.201,654 -0.033,655 0.146,656 0.085,657 0.15,658 -0.08,659 0.143,660 -0.145,661 0.208,662 0.048,663 0.201,664 -0.229,665 0.173,666 1.972,667 5.917,668 0.667,669 24.738,670 1.006,671 1.125,672 2.319,673 5.378,674 0.658,675 3.526,676 3.85,677 4.19,678 4.477,679 4.745,680 4.812,681 4.92,682 4.97,683 5.069,684 5.094,685 6.543,686 0.631,687 407.51,688 3.526,689 5.069,690 5.943,691 6.834,692 7.726,693 8.624,694 9.521,695 10.42,696 11.319,697 12.219,698 5.5,703 1,705 1,708 1,714 2,715 6,716 1,720 7,722 17,739 3,741 55,743 18,744 2,745 33,747 58,748 23,749 15,750 6,751 6,752 1,756 4,757 7,767 4,770 4,772 16,773 7,777 1,782 1,786 1,790 1,793 25,794 7,795 2,796 7,802 3,806 1,808 0.5,809 4,822 1,829 4,833 2,859 2,864 3,868 30,876 4,877 2,878 3,893 7.3,896 1,898 3,901 15.333,902 10.867,903 6.861,904 3.225,907 3.437,908 1.436,909 0.982,910 6.183,911 11.326,912 3.773,913 4.394,914 5.048,915 5.65,916 6.243,917 6.547,918 6.882,919 7.134,920 7.461,921 7.521,922 0.857,923 53,924 11.09,926 4.667,927 0.026,929 7.706,931 21.2,933 17.194,936 2.206,937 66.167,939 1,940 1,941 270.735,942 136.681,943 52.562,945 58.145,948 136.681,949 328.88,950 52.562,951 32.649,952 28.026,953 56.857,954 64.523,955 65.332,957 270.735,959 270.735,960 189.243,961 58.145,964 270.735,965 58.145,968 32.927,969 121.642,970 34.674,972 270.735,973 110.707,974 136.681,977 270.735,978 47.175,979 89.507,980 35.776,981 74.93,982 270.735,983 110.707,984 136.681,986 0.571,987 0.363,988 0.21,989 0.118,990 22,991 10,992 0.103,993 6,994 2,995 1.2,996 4.017,997 275.323,998 0.2,999 20,1000 139.207,1005 20.604,1006 9.003,1007 4.021,1008 1.908,1009 110.707,1010 11.215,1011 4.826,1015 4.871,1017 35.776,1018 518.123,1019 42.5,1024 12.917,1028 -0.306,1031 55.334,1032 61.9,1034 0.268,1035 0.614,1036 0.75,1037 0.826,1038 0.854,1039 0.88,1040 5.012,1041 1.484,1042 5.927,1043 4.053,1044 4.533,1045 5.081,1046 1.996,1047 6.779,1048 4.464,1049 6.223,1050 1.347,1051 7.51,1052 3.329,1053 4.111,1054 4.997,1056 7.774,1057 4.027,1058 7.55,1059 1.247,1060 9.197,1061 3.275,1062 6.159,1063 7.358,1064 1.812,1065 10.901,1066 6.04,1067 8.917,1068 1.119,1069 10.946,1070 2.902,1071 6.594,1072 8.118,1074 12.716,1075 6.451,1076 10.32,1077 0.884,1078 12.732,1079 2.478,1080 8.084,1081 9.957,1082 1.648,1083 15.361,1084 7.919,1085 11.746,1086 0.396,1087 14.544,1088 2.017,1089 8.91,1090 11.099,1092 17.507,1093 8.716,1094 13.19,1095 0.374,1096 16.374,1097 0.815,1098 10.184,1099 12.735,1100 1.503,1101 19.993,1102 9.97,1103 3.228,1104 0.281,1105 18.217,1106 0.603,1107 11.189,1108 14.061,1110 22.282,1111 10.946,1112 3.092,1113 11.349,1114 20.07,1115 0.378,1116 12.379,1117 15.613,1118 1.376,1119 24.713,1120 12.117,1121 2.604,1122 10.344,1123 21.931,1124 4.564,1125 13.465,1126 17.028,1128 27.066,1129 13.174,1130 2.532,1131 8.37,1132 23.799,1133 4.141,1134 14.627,1135 18.547,1136 1.266,1137 29.48,1138 14.315,1139 2.155,1140 8.298,1141 25.671,1142 3.438,1143 15.749,1144 20.006,1146 31.864,1147 15.411,1148 2.061,1149 6.706,1150 27.549,1151 3.273,1152 16.903,1153 21.513,1154 1.172,1155 34.274,1156 16.542,1157 1.548,1158 6.118,1159 29.43,1160 2.888,1161 18.042,1162 22.995,1164 36.673,1165 17.657,1166 10804,1167 17539,1168 22.076,1169 36.211,1170 48.567,1171 50.945,1172 51.588,1173 48.556,1174 48.707,1175 63.001,1176 7.12,1177 142.066,1178 46.834,1179 5.588,1180 5.58,1181 6.515,1182 5.25,1183 5.228,1184 7.564,1185 1.96,1186 18.881,1187 5.166,1188 14.392,1189 1.472,1190 1.544,1191 1.563,1192 1.471,1193 1.476,1194 1.909,1195 0.216,1196 4.305,1197 1.419,1198 4.113,1199 4.144,1200 4.075,1201 4.039,1202 7.429,1203 4.043,1204 3.947,1205 3.952,1206 3.916,1207 3.848,1208 4.989,1209 3.862,1210 3.732,1211 3.781,1212 3.617,1213 3.65,1214 4.949,1215 3.636,1216 3.477,1217 3.532,1218 3.417,1219 3.216,1220 4.58,1221 3.248,1222 3.303,1223 3.355,1224 3.152,1225 3.104,1226 4.462,1227 3.118,1228 3.27,1229 3.324,1230 3.144,1231 3.006,1232 4.419,1233 3.026,1234 3.21,1235 3.283,1236 3.027,1237 2.97,1238 4.299,1239 2.969,1240 3.146,1241 3.226,1242 2.982,1243 2.9,1244 4.11,1245 2.902,1246 0.141,1247 0.108,1248 0.207,1249 0.128,1250 0.098,1251 4.641,1252 0.138,1253 3.58,1254 0.03,1255 6.83,1256 0.344,1257 4.209,1258 0.096,1259 3.228,1260 4.564,1261 0.98,1262 11.349,1263 3.166,1264 2.069,1265 2.044,1266 2.154,1267 2.162,1268 1.432,1269 2.16,1270 1.884,1271 1.877,1272 1.952,1273 2.009,1274 1.145,1275 1.988,1276 1.754,1277 1.709,1278 1.947,1279 1.872,1280 1.078,1281 1.902,1282 1.35,1283 1.3,1284 1.59,1285 1.662,1286 0.758,1287 1.621,1288 1.237,1289 1.193,1290 1.579,1291 1.558,1292 0.624,1293 1.565,1294 1.227,1295 1.163,1296 1.561,1297 1.51,1298 0.584,1299 1.528,1300 1.165,1301 1.08,1302 1.496,1303 1.447,1304 0.577,1305 1.47,1306 1.134,1307 1.058,1308 1.436,1309 1.351,1310 0.565,1311 1.381,1312 4.205,1314 5.525,1316 7.071,1318 8.721,1320 10.427,1322 4.568,1328 4.142,1329 5.994,1330 16.03,1340 34.718,1341 85.082,1342 195.204,1343 238.426,1344 262.691,1345 271.445,1346 279.71,1347 51.601,1348 7.889,1349 81.71,1350 81.71,1351 24,1352 12.741,1353 4.248,1354 3.392,1355 46.934,1356 121,1357 106,1358 0.192,1359 211.842,1360 368.72,1361 508.654,1362 30890,1364 21.087,1365 0.703,1366 0.579,1367 21.087,1368 17.373,1369 14.656,1370 0.444,1371 0.301,1372 9.74,1373 13.945,1374 9.451,1375 7.887,1376 14.656,1377 9.928,1378 12.511,1379 0.272,1380 0.155,1381 12.511,1382 7.129,1383 11.343,1384 0.175,1385 0.083,1386 11.343,1387 5.397,1388 9.689,1389 0.111,1390 0.045,1391 9.689,1392 3.919,1393 8.247,1394 0.072,1395 0.025,1396 8.247,1397 2.867,1398 0.3,1399 93.174,1400 0.213,1401 27.979,1402 0.534,1403 158,1404 489.253,1405 174.345,1406 459.805,1407 632.93,1408 434,1409 190,1410 465.676,1411 207.983,1412 472.441,1413 692.69,1414 441,1415 6.413}
{0 CHEMBL219264,1 1.496,2 18,3 5.162,4 26.648,5 155.373,6 6.859,7 0.395,8 4.455,9 4.579,10 3.94,11 3.943,12 5.501,13 3.916,14 5.02,15 5.207,16 4.249,17 4.325,18 5.996,19 4.267,20 5.266,21 5.485,22 4.379,23 4.477,24 6.246,25 4.401,26 5.323,27 5.544,28 4.364,29 4.487,30 6.304,31 4.406,32 5.385,33 5.616,34 4.292,35 4.491,36 6.335,37 4.396,38 5.373,39 5.61,40 4.172,41 4.468,42 6.316,43 4.343,44 5.377,45 5.655,46 4.102,47 4.393,48 6.343,49 4.236,50 5.24,51 5.519,52 3.94,53 4.254,54 6.163,55 4.1,56 0.057,57 1.123,58 18.246,59 7.691,60 12.013,61 10.342,62 0.383,63 1.758,64 34.302,65 12.47,66 38.945,67 17.45,68 0.634,69 2.161,70 44.837,71 15.171,72 65.747,73 22.06,74 0.577,75 2.265,76 47.674,77 15.32,78 69.508,79 22.48,80 0.749,81 2.294,82 51.818,83 15.94,84 78.027,85 23.12,86 0.635,87 2.235,88 50.876,89 16.447,90 76.098,91 23.841,92 0.933,93 2.104,94 52.012,95 17.329,96 109.565,97 25.541,98 0.666,99 1.83,100 45.311,101 15.028,102 87.06,103 22.055,104 35,105 57,106 0.229,107 0.517,108 0.705,109 0.823,110 0.85,111 0.866,112 3.717,113 0.98,114 -3.99,115 -3.95,116 -3.74,121 38.8,123 10,126 3,127 1,144 6,145 3,146 4,148 2,160 2,173 1,176 15,180 8,183 2,185 5,187 15,191 2,192 10,195 1,197 8,200 9,205 1,206 10,209 1,211 10,214 7,219 9,222 1,224 11,227 12,232 4,237 3,239 13,243 3,244 6,247 3,248 1,251 15,255 1,256 3,259 1,260 1,264 14,268 1,269 4,272 1,274 1,277 11,281 3360,282 27.576,283 27.576,284 27.576,285 27.576,286 27.576,287 25.255,288 30.192,289 16.645,290 28.216,291 21.066,292 21.066,293 21.066,294 21.066,295 21.066,296 17.128,297 26.898,298 7.665,299 21.762,300 4.826,301 2.935,302 1.709,303 0.935,304 0.757,305 0.653,306 4.414,312 1,313 1545,314 4.848,318 497.832,322 387.934,325 2.7,326 39.901,329 0.75,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.71,337 87,338 720,339 4.641,340 3.579,341 6.83,342 4.208,343 3.227,344 4.564,345 1.907,346 11.349,347 3.165,348 4.42,349 3.572,350 6.523,351 4.009,352 3.061,353 4.104,354 1.886,355 10.257,356 2.899,357 3.915,358 3.375,359 5.982,360 3.524,361 2.532,362 3.438,363 0.86,364 8.37,365 2.512,366 3.7,367 3.35,368 5.389,369 3.433,370 2.433,371 2.936,372 0.86,373 6.835,374 2.42,375 3.672,376 2.666,377 5.32,378 3.398,379 2.39,380 2.924,381 0.86,382 6.754,383 2.398,384 3.502,385 2.564,386 5.19,387 3.159,388 2.173,389 2.783,390 0.149,391 6.118,392 2.13,393 3.488,394 2.555,395 5.021,396 3.088,397 2.12,398 2.749,400 6.024,401 2.046,402 3.355,403 2.314,404 4.991,405 2.972,406 2.061,407 2.604,409 5.959,410 1.867,411 2.937,412 1.964,413 4.116,414 2.692,415 1.693,416 2.141,418 3.498,419 1.688,420 2.741,421 1.861,422 3.904,423 2.513,424 1.524,425 1.738,427 3.329,428 1.506,429 2.6,430 1.623,431 3.817,432 2.345,433 1.347,434 1.632,436 3.302,437 1.343,438 2.488,439 1.449,440 3.742,441 2.242,442 1.247,443 1.488,445 2.902,446 1.24,447 2.241,448 1.426,449 3.594,450 2.145,451 1.194,452 1.231,454 2.639,455 1.137,456 2.19,457 1.35,458 3.564,459 2.01,460 1.133,461 1.174,463 2.488,464 0.984,465 2.086,466 1.242,467 3.302,468 1.929,469 0.952,470 1.033,472 2.125,473 0.92,474 18.767,475 0.469,476 0.725,477 0.018,478 46,479 1.15,480 21,481 0.525,482 25,483 0.625,484 41.933,485 1.048,486 45.433,487 0.568,488 37.266,489 0.932,490 8.864,491 0.222,492 10.669,493 0.267,494 0.115,496 0.293,501 0.787,502 1.309,503 0.869,504 1.217,505 0.576,506 1.075,507 1.007,508 1.134,509 0.939,510 1.029,511 0.66,512 0.983,513 0.866,514 1.121,515 0.909,516 1.004,517 1.004,518 0.965,519 1.061,520 1.181,521 1.053,522 1.096,523 1.12,524 1.065,525 1.415,526 1.02,527 1.182,528 0.98,529 1.118,530 1.028,531 1.254,532 1.091,533 1.223,534 1.112,535 1.332,536 1.15,537 0.677,538 0.879,539 0.889,540 0.956,541 1.151,542 0.962,543 0.844,544 0.893,545 0.916,546 0.944,547 1.334,548 0.947,549 6.5,550 0.115,551 4,552 2.563,553 2.444,554 1.049,555 0.771,556 0.462,557 0.32,558 0.182,559 32529,560 80539,561 2.05,562 50,563 12,564 17,567 3,568 6,569 2,572 1.79,573 1.935,574 4.015,575 0.731,582 119.687,583 1.496,584 3.386,585 4.613,586 5.387,587 5.565,588 5.669,589 3.355,590 4.503,591 5.302,592 4.322,593 3370.92,594 9.293,595 67282.1,600 505.754,601 1.329,602 5.26,603 0.151,604 0.004,605 0.07,606 0.041,607 0.041,608 0.019,609 0.016,610 0.011,611 0.009,612 0.006,613 0.367,614 0.33,615 0.75,616 0.788,617 235.122,618 -0.001,619 -0.035,620 0.052,621 -0.044,622 0.014,623 0.005,624 -0.024,625 -0.017,626 0.03,627 0.04,628 0.039,629 0.04,630 0.087,631 -0.053,632 0.069,633 0.015,634 -0.009,635 0.036,636 -0.043,637 -0.101,638 -0.064,639 -0.104,640 -0.078,641 -0.087,642 -0.213,643 0.011,644 -0.164,645 -0.018,646 -0.115,647 -0.072,648 -0.186,649 -0.078,650 -0.226,651 -0.131,652 -0.155,653 -0.175,654 0.216,655 0.038,656 0.092,657 0.009,658 0.127,659 0.025,660 0.073,661 0.017,662 0.068,663 0.021,664 0.02,665 0.039,666 1.708,667 5.528,668 0.5,669 51.2,670 0.999,671 1.131,672 2.765,673 7.644,674 0.638,675 3.784,676 4.06,677 4.331,678 4.585,679 4.82,680 4.86,681 4.956,682 4.997,683 5.03,684 4.86,685 11.029,686 0.602,687 548.75,688 3.784,689 5.303,690 6.142,691 7.006,692 7.867,693 8.741,694 9.612,695 10.493,696 11.371,697 12.255,698 5,703 1,705 2,708 1,714 2,715 6,716 1,720 7,722 17,739 3,741 80,743 19,744 2,745 43,747 83,748 31,749 15,750 6,751 6,756 4,757 7,767 4,770 10,772 17,773 14,777 2,782 2,786 2,793 40,794 9,795 3,796 9,802 4,806 1,808 0.5,809 5,822 1,829 4,833 2,843 1,859 2,864 3,868 40,876 11,877 3,878 3,893 6.3,896 2,898 3,901 20.667,902 15.033,903 9.25,904 5.017,907 3.229,908 1.393,909 0.956,910 11.308,911 11.446,912 3.998,913 4.543,914 5.104,915 5.671,916 6.237,917 6.511,918 6.829,919 7.099,920 7.379,921 7.194,922 1,923 63,924 14.857,926 6.138,927 0.026,929 7.696,931 28.7,933 23.124,936 2.196,937 87.833,941 435.531,942 158.699,943 70.573,945 83.29,948 158.699,949 518.82,950 70.573,951 32.649,952 63.35,953 56.857,954 94.373,955 65.332,957 435.531,959 435.531,960 229.272,961 83.29,964 411.989,965 106.832,968 68.251,969 126.347,970 34.674,972 435.531,973 153.862,974 158.699,977 435.531,978 69.192,979 89.507,980 53.787,981 100.075,982 435.531,983 153.862,984 158.699,986 0.56,987 0.336,988 0.189,989 0.106,990 23,991 11,992 0.169,993 14,994 2,995 1.2,996 5.134,997 364.068,998 0.2,999 20,1000 204.877,1005 29.945,1006 15.105,1007 8.022,1008 1.981,1009 153.862,1010 11.776,1011 4.844,1015 5.938,1017 53.787,1018 748.092,1019 53.5,1024 24.858,1028 -0.052,1031 79.949,1032 90.514,1034 0.237,1035 0.536,1036 0.73,1037 0.852,1038 0.88,1039 0.897,1040 5.222,1041 2.061,1042 6.098,1043 6.024,1044 4.745,1045 5.231,1046 2.846,1047 6.887,1048 4.688,1049 6.396,1050 1.693,1051 7.639,1052 5.959,1053 4.205,1054 5.075,1055 2.179,1056 7.781,1057 4.136,1058 7.694,1059 1.524,1060 9.285,1061 3.498,1062 6.304,1063 7.421,1064 3.636,1065 10.9,1066 6.198,1067 9.033,1068 1.347,1069 10.997,1070 3.329,1071 6.635,1072 8.134,1073 3.675,1074 12.675,1075 6.5,1076 10.409,1077 1.247,1078 12.753,1079 3.302,1080 8.155,1081 9.965,1082 4.711,1083 15.316,1084 7.997,1085 11.81,1086 1.194,1087 14.541,1088 2.902,1089 8.91,1090 11.083,1091 5.057,1092 17.455,1093 8.714,1094 13.233,1095 1.133,1096 16.352,1097 2.639,1098 10.196,1099 12.716,1100 5.903,1101 19.942,1102 9.98,1103 3.227,1104 0.952,1105 18.18,1106 2.488,1107 11.162,1108 14.033,1109 6.392,1110 22.233,1111 10.907,1112 3.061,1113 11.349,1114 20.022,1115 2.125,1116 12.356,1117 15.585,1118 7.141,1119 24.668,1120 12.079,1121 2.532,1122 10.257,1123 21.876,1124 4.564,1125 13.422,1126 16.998,1127 7.701,1128 27.025,1129 13.11,1130 2.433,1131 8.37,1132 23.738,1133 4.104,1134 14.583,1135 18.518,1136 8.4,1137 29.442,1138 14.248,1139 2.39,1140 6.835,1141 25.608,1142 3.438,1143 15.696,1144 19.977,1145 8.997,1146 31.828,1147 15.33,1148 2.173,1149 6.754,1150 27.484,1151 2.936,1152 16.849,1153 21.485,1154 9.669,1155 34.241,1156 16.46,1157 2.12,1158 6.118,1159 29.366,1160 2.924,1161 17.984,1162 22.967,1163 10.286,1164 36.642,1165 17.568,1166 30960,1167 48857,1168 28.72,1169 51,1170 61.705,1171 64.79,1172 64.92,1173 61.77,1174 61.925,1175 77.265,1176 13.044,1177 171.038,1178 60,1179 5.614,1180 5.579,1181 6.658,1182 5.249,1183 5.227,1184 7.564,1185 3.306,1186 18.88,1187 5.165,1188 20.44,1189 1.435,1190 1.507,1191 1.51,1192 1.437,1193 1.44,1194 1.797,1195 0.303,1196 3.978,1197 1.395,1198 4.114,1199 4.145,1200 4.075,1201 4.039,1202 7.431,1203 4.044,1204 3.962,1205 3.976,1206 3.916,1207 3.869,1208 7.427,1209 3.877,1210 3.782,1211 3.838,1212 3.661,1213 3.651,1214 4.99,1215 3.639,1216 3.732,1217 3.781,1218 3.616,1219 3.628,1220 4.956,1221 3.621,1222 3.642,1223 3.689,1224 3.554,1225 3.435,1226 4.58,1227 3.453,1228 3.482,1229 3.543,1230 3.352,1231 3.275,1232 4.464,1233 3.285,1234 3.311,1235 3.384,1236 3.176,1237 3.16,1238 4.42,1239 3.153,1240 3.303,1241 3.355,1242 3.144,1243 3.006,1244 4.296,1245 3.026,1246 0.108,1247 0.083,1248 0.159,1249 0.098,1250 0.075,1251 4.641,1252 0.106,1253 3.579,1254 0.044,1255 6.83,1256 0.264,1257 4.208,1258 0.074,1259 3.227,1260 4.564,1261 1.907,1262 11.349,1263 3.165,1264 2.069,1265 2.044,1266 2.155,1267 2.161,1268 1.432,1269 2.16,1270 1.91,1271 1.896,1272 2.021,1273 2.027,1274 1.341,1275 2.022,1276 1.761,1277 1.709,1278 1.991,1279 1.945,1280 1.241,1281 1.961,1282 1.754,1283 1.703,1284 1.949,1285 1.872,1286 1.145,1287 1.902,1288 1.569,1289 1.524,1290 1.767,1291 1.811,1292 0.986,1293 1.794,1294 1.43,1295 1.372,1296 1.678,1297 1.677,1298 0.888,1299 1.675,1300 1.29,1301 1.231,1302 1.59,1303 1.558,1304 0.758,1305 1.565,1306 1.227,1307 1.163,1308 1.569,1309 1.529,1310 0.624,1311 1.536,1312 4.466,1314 5.753,1316 7.245,1318 8.844,1320 10.506,1322 4.707,1328 8.595,1329 9.074,1330 16.111,1340 48.142,1341 119.687,1342 270.916,1343 369.012,1344 430.96,1345 445.225,1346 453.49,1347 93.83,1348 8.217,1349 110.81,1350 110.81,1351 24,1352 12.79,1353 4.322,1354 3.524,1355 74.198,1356 278,1357 210,1358 0.126,1359 296.444,1360 524.27,1361 715.083,1362 59540,1364 28.321,1365 0.708,1366 0.593,1367 28.321,1368 23.731,1369 19.533,1370 0.454,1371 0.327,1372 13.825,1373 18.674,1374 13.462,1375 11.224,1376 19.533,1377 14.046,1378 16.419,1379 0.288,1380 0.176,1381 16.419,1382 10.004,1383 13.849,1384 0.185,1385 0.097,1386 13.849,1387 7.264,1388 11.473,1389 0.118,1390 0.053,1391 11.473,1392 5.151,1393 9.525,1394 0.077,1395 0.03,1396 9.525,1397 3.708,1398 0.212,1399 123.468,1400 0.187,1401 37.328,1402 0.31,1403 200,1404 599.321,1405 220.28,1406 563.052,1407 762.33,1408 530,1409 232,1410 547.003,1411 252.644,1412 552.531,1413 801.37,1414 517,1415 8.076}
{0 CHEMBL219316,1 1.51,2 17.179,3 4.706,4 22.146,5 150.772,6 6.944,7 0.405,8 4.421,9 4.544,10 3.917,11 3.908,12 5.48,13 3.885,14 4.982,15 5.166,16 4.229,17 4.289,18 5.973,19 4.237,20 5.222,21 5.435,22 4.362,23 4.441,24 6.222,25 4.372,26 5.281,27 5.497,28 4.347,29 4.452,30 6.281,31 4.377,32 5.346,33 5.572,34 4.273,35 4.455,36 6.313,37 4.367,38 5.333,39 5.566,40 4.154,41 4.435,42 6.304,43 4.313,44 5.339,45 5.617,46 4.074,47 4.358,48 6.303,49 4.203,50 5.198,51 5.476,52 3.945,53 4.211,54 6.207,55 4.061,56 0.058,57 1.085,58 17.349,59 7.351,60 11.499,61 9.814,62 0.388,63 1.694,64 32.796,65 11.902,66 38.66,67 16.546,68 0.63,69 2.081,70 42.669,71 14.43,72 64.863,73 20.84,74 0.576,75 2.187,76 45.491,77 14.587,78 68.475,79 21.253,80 0.755,81 2.216,82 49.74,83 15.219,84 77.257,85 21.901,86 0.698,87 2.156,88 48.819,89 15.962,90 79.44,91 22.842,92 0.869,93 2.03,94 50.198,95 16.782,96 102.045,97 24.686,98 0.735,99 1.755,100 43.619,101 14.412,102 110.238,103 21.293,104 35,105 56,106 0.232,107 0.528,108 0.709,109 0.819,110 0.847,111 0.864,112 3.692,113 0.968,114 -3.8,115 -3.77,116 -3.58,121 39,123 9,126 3,127 1,144 6,145 3,146 4,148 2,160 2,173 1,176 14,180 8,183 2,185 5,187 14,191 2,192 10,195 1,197 8,200 8,205 1,206 10,209 1,211 10,214 7,219 8,222 1,224 9,227 12,232 4,235 1,236 1,237 2,239 13,243 3,244 5,247 2,248 1,251 14,255 2,256 4,259 2,261 1,264 11,269 4,272 1,274 4,277 8,281 3102,282 26.869,283 26.869,284 26.869,285 26.869,286 26.869,287 24.548,288 30.192,289 16.145,290 27.509,291 20.566,292 20.566,293 20.566,294 20.566,295 20.566,296 16.628,297 26.898,298 7.415,299 21.262,300 4.756,301 2.838,302 1.656,303 0.945,304 0.76,305 0.653,306 4.389,312 1,313 1439,314 4.743,318 476.618,322 371.208,325 2.567,326 39.697,329 0.75,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.71,337 85,338 670,339 4.641,340 3.579,341 6.83,342 4.208,343 3.227,344 4.564,345 1.907,346 11.349,347 3.165,348 4.42,349 3.572,350 6.523,351 4.009,352 3.061,353 4.104,354 1.886,355 10.257,356 2.899,357 3.915,358 3.375,359 5.982,360 3.524,361 2.532,362 3.438,363 0.86,364 8.37,365 2.512,366 3.701,367 3.35,368 5.389,369 3.436,370 2.435,371 2.936,372 0.86,373 6.835,374 2.424,375 3.671,376 2.666,377 5.32,378 3.395,379 2.387,380 2.924,381 0.86,382 6.754,383 2.394,384 3.502,385 2.564,386 5.19,387 3.158,388 2.173,389 2.783,390 0.149,391 6.118,392 2.129,393 3.487,394 2.555,395 5.022,396 3.087,397 2.118,398 2.748,400 6.027,401 2.045,402 3.355,403 2.314,404 4.99,405 2.972,406 2.061,407 2.604,409 5.955,410 1.867,411 2.937,412 1.964,413 4.116,414 2.584,415 1.589,416 2.141,418 3.378,419 1.576,420 2.65,421 1.818,422 3.902,423 2.511,424 1.521,425 1.656,427 3.329,428 1.505,429 2.596,430 1.623,431 3.813,432 2.345,433 1.347,434 1.614,436 3.239,437 1.343,438 2.488,439 1.449,440 3.675,441 2.242,442 1.247,443 1.487,445 2.902,446 1.24,447 2.231,448 1.35,449 3.594,450 2.054,451 1.173,452 1.217,454 2.566,455 1.046,456 2.151,457 1.271,458 3.55,459 2.001,460 1.058,461 1.125,463 2.455,464 0.974,465 1.908,466 1.236,467 3.211,468 1.784,469 0.817,470 0.868,472 1.789,473 0.785,474 18.267,475 0.468,476 0.725,477 0.019,478 45.5,479 1.167,480 21,481 0.538,482 24.5,483 0.628,484 39.961,485 1.025,486 44.133,487 0.573,488 37.094,489 0.951,490 8.864,491 0.227,492 10.169,493 0.261,494 0.119,496 0.301,501 0.788,502 1.302,503 0.855,504 1.208,505 0.577,506 1.062,507 1.014,508 1.122,509 0.927,510 1.011,511 0.664,512 0.965,513 0.879,514 1.128,515 0.912,516 1.005,517 1.019,518 0.966,519 1.074,520 1.19,521 1.063,522 1.101,523 1.135,524 1.072,525 1.431,526 1.022,527 1.196,528 0.981,529 1.13,530 1.032,531 1.214,532 1.067,533 1.23,534 1.121,535 1.314,536 1.168,537 0.663,538 0.879,539 0.873,540 0.958,541 1.095,542 0.956,543 0.699,544 0.934,545 0.856,546 0.957,547 1.077,548 0.942,549 6.5,550 0.149,551 4,552 2.563,553 2.444,554 1.049,555 0.73,556 0.524,557 0.295,558 0.142,559 29592,560 74302,561 2.052,562 49.4,563 10,564 17,567 3,568 6,569 2,572 1.785,573 1.934,574 3.954,575 0.748,582 116.305,583 1.51,584 3.429,585 4.611,586 5.321,587 5.507,588 5.614,589 3.268,590 4.67,591 5.266,592 4.253,593 3151.4,594 9.225,595 60722.1,600 482.543,601 1.344,602 5.222,603 0.155,604 0.005,605 0.071,606 0.041,607 0.041,608 0.019,609 0.016,610 0.012,611 0.008,612 0.005,613 0.374,614 0.33,615 0.75,616 0.8,617 226.51,618 -0.005,619 -0.036,620 0.052,621 -0.045,622 0.009,623 0.006,624 -0.03,625 -0.008,626 0.036,627 0.053,628 0.035,629 0.052,630 0.079,631 -0.056,632 0.061,633 0.013,634 -0.019,635 0.031,636 -0.053,637 -0.106,638 -0.077,639 -0.112,640 -0.089,641 -0.097,642 -0.226,643 0.011,644 -0.179,645 -0.02,646 -0.126,647 -0.08,648 -0.15,649 -0.054,650 -0.237,651 -0.138,652 -0.134,653 -0.193,654 0.202,655 0.032,656 0.108,657 0.011,658 0.125,659 0.038,660 0.19,661 -0.031,662 0.128,663 0.011,664 0.22,665 0.051,666 1.742,667 5.521,668 0.513,669 47.546,670 1.001,671 1.131,672 2.575,673 6.629,674 0.639,675 3.761,676 4.043,677 4.317,678 4.575,679 4.812,680 4.852,681 4.949,682 4.997,683 5.017,684 4.852,685 10.525,686 0.605,687 534.72,688 3.761,689 5.283,690 6.125,691 6.991,692 7.854,693 8.731,694 9.604,695 10.486,696 11.365,697 12.25,698 5.2,703 1,705 2,708 1,714 2,715 6,716 1,720 7,722 17,739 3,741 77,743 19,744 2,745 42,747 80,748 30,749 15,750 6,751 6,756 4,757 7,767 4,770 9,772 17,773 13,777 2,782 2,786 2,793 38,794 9,795 3,796 9,802 4,806 1,808 0.5,809 5,822 1,829 4,833 2,843 1,859 2,864 3,868 39,876 10,877 3,878 3,893 6.5,896 2,898 3,901 20.167,902 14.533,903 9,904 4.767,907 3.248,908 1.397,909 0.958,910 10.685,911 11.435,912 3.98,913 4.533,914 5.098,915 5.667,916 6.235,917 6.509,918 6.828,919 7.101,920 7.376,921 7.193,922 0.909,923 62,924 14.48,926 5.997,927 0.026,929 7.714,931 27.884,933 22.457,936 2.214,937 86.333,941 411.989,942 156.164,943 70.573,945 83.29,948 156.164,949 495.278,950 70.573,951 32.649,952 60.815,953 56.857,954 94.373,955 65.332,957 411.989,959 411.989,960 226.737,961 83.29,964 388.446,965 106.832,968 65.716,969 126.347,970 34.674,972 411.989,973 153.862,974 156.164,977 411.989,978 66.658,979 89.507,980 53.787,981 100.075,982 411.989,983 153.862,984 156.164,986 0.562,987 0.338,988 0.19,989 0.106,990 23,991 11,992 0.163,993 13,994 2,995 1.2,996 5.018,997 355.44,998 0.2,999 20,1000 198.131,1005 28.969,1006 14.385,1007 7.549,1008 1.962,1009 153.862,1010 11.73,1011 4.837,1015 5.872,1017 53.787,1018 722.015,1019 52.5,1024 24.858,1028 -0.113,1031 77.065,1032 87.099,1034 0.241,1035 0.547,1036 0.736,1037 0.849,1038 0.879,1039 0.896,1040 5.205,1041 2.061,1042 6.084,1043 6.027,1044 4.727,1045 5.22,1046 2.846,1047 6.878,1048 4.669,1049 6.384,1050 1.589,1051 7.629,1052 5.955,1053 4.205,1054 5.075,1055 2.179,1056 7.781,1057 4.136,1058 7.685,1059 1.521,1060 9.278,1061 3.378,1062 6.293,1063 7.417,1064 3.636,1065 10.898,1066 6.186,1067 9.027,1068 1.347,1069 10.993,1070 3.329,1071 6.635,1072 8.134,1073 3.675,1074 12.675,1075 6.5,1076 10.404,1077 1.247,1078 12.751,1079 3.239,1080 8.149,1081 9.964,1082 4.711,1083 15.316,1084 7.99,1085 11.808,1086 1.173,1087 14.539,1088 2.902,1089 8.91,1090 11.083,1091 5.057,1092 17.455,1093 8.714,1094 13.231,1095 1.058,1096 16.351,1097 2.566,1098 10.194,1099 12.716,1100 5.903,1101 19.942,1102 9.976,1103 3.227,1104 0.817,1105 18.18,1106 2.455,1107 11.162,1108 14.033,1109 6.392,1110 22.233,1111 10.907,1112 3.061,1113 11.349,1114 20.022,1115 1.789,1116 12.355,1117 15.585,1118 7.141,1119 24.668,1120 12.077,1121 2.532,1122 10.257,1123 21.876,1124 4.564,1125 13.422,1126 16.998,1127 7.701,1128 27.025,1129 13.11,1130 2.435,1131 8.37,1132 23.738,1133 4.104,1134 14.583,1135 18.518,1136 8.4,1137 29.442,1138 14.247,1139 2.387,1140 6.835,1141 25.608,1142 3.438,1143 15.696,1144 19.977,1145 8.997,1146 31.828,1147 15.33,1148 2.173,1149 6.754,1150 27.484,1151 2.936,1152 16.849,1153 21.485,1154 9.669,1155 34.241,1156 16.459,1157 2.118,1158 6.118,1159 29.366,1160 2.924,1161 17.984,1162 22.967,1163 10.286,1164 36.642,1165 17.568,1166 28174,1167 44783,1168 28.027,1169 49.239,1170 60.502,1171 63.472,1172 63.609,1173 60.47,1174 60.656,1175 76,1176 13.044,1177 168.488,1178 58.732,1179 5.61,1180 5.579,1181 6.603,1182 5.249,1183 5.227,1184 7.564,1185 3.306,1186 18.88,1187 5.165,1188 20.004,1189 1.441,1190 1.511,1191 1.515,1192 1.44,1193 1.444,1194 1.81,1195 0.311,1196 4.012,1197 1.398,1198 4.114,1199 4.145,1200 4.075,1201 4.039,1202 7.431,1203 4.044,1204 3.961,1205 3.976,1206 3.916,1207 3.869,1208 7.427,1209 3.877,1210 3.769,1211 3.823,1212 3.656,1213 3.651,1214 4.99,1215 3.637,1216 3.732,1217 3.781,1218 3.616,1219 3.602,1220 4.956,1221 3.601,1222 3.62,1223 3.664,1224 3.535,1225 3.414,1226 4.58,1227 3.432,1228 3.434,1229 3.503,1230 3.299,1231 3.215,1232 4.464,1233 3.228,1234 3.303,1235 3.355,1236 3.157,1237 3.127,1238 4.42,1239 3.126,1240 3.286,1241 3.349,1242 3.144,1243 3.006,1244 4.296,1245 3.026,1246 0.11,1247 0.085,1248 0.163,1249 0.1,1250 0.077,1251 4.641,1252 0.109,1253 3.579,1254 0.045,1255 6.83,1256 0.27,1257 4.208,1258 0.075,1259 3.227,1260 4.564,1261 1.907,1262 11.349,1263 3.165,1264 2.069,1265 2.044,1266 2.155,1267 2.161,1268 1.432,1269 2.16,1270 1.91,1271 1.896,1272 2.018,1273 2.027,1274 1.298,1275 2.021,1276 1.754,1277 1.709,1278 1.964,1279 1.932,1280 1.238,1281 1.941,1282 1.736,1283 1.678,1284 1.948,1285 1.872,1286 1.145,1287 1.902,1288 1.545,1289 1.503,1290 1.741,1291 1.787,1292 0.912,1293 1.768,1294 1.371,1295 1.307,1296 1.61,1297 1.639,1298 0.814,1299 1.634,1300 1.264,1301 1.209,1302 1.59,1303 1.558,1304 0.757,1305 1.565,1306 1.227,1307 1.163,1308 1.569,1309 1.514,1310 0.622,1311 1.53,1312 4.443,1314 5.733,1316 7.231,1318 8.834,1320 10.499,1322 4.694,1328 7.387,1329 9.006,1330 16.099,1340 46.615,1341 116.305,1342 264.012,1343 355.02,1344 409.749,1345 424.013,1346 432.278,1347 89.946,1348 8.187,1349 110.81,1350 110.81,1351 24,1352 12.784,1353 4.322,1354 3.524,1355 71.233,1356 258,1357 198,1358 0.131,1359 286.852,1360 506.97,1361 691.678,1362 56028,1364 27.614,1365 0.708,1366 0.59,1367 27.614,1368 23.024,1369 19.033,1370 0.453,1371 0.323,1372 13.325,1373 18.174,1374 12.972,1375 10.807,1376 19.033,1377 13.546,1378 16.066,1379 0.287,1380 0.172,1381 16.066,1382 9.65,1383 13.599,1384 0.184,1385 0.095,1386 13.599,1387 7.014,1388 11.296,1389 0.118,1390 0.052,1391 11.296,1392 4.974,1393 9.4,1394 0.077,1395 0.029,1396 9.4,1397 3.594,1398 0.219,1399 120.468,1400 0.189,1401 36.415,1402 0.325,1403 196,1404 595.321,1405 216.28,1406 558.89,1407 756.57,1408 526,1409 228,1410 543.003,1411 248.644,1412 548.37,1413 795.61,1414 513,1415 7.229}
{0 CHEMBL219400,1 1.604,2 8.5,3 3.686,4 13.59,5 115.007,6 7.565,7 0.364,8 4.098,9 4.211,10 3.668,11 3.62,12 5.264,13 3.608,14 4.635,15 4.795,16 4.056,17 4.041,18 5.837,19 4.007,20 4.899,21 5.089,22 4.226,23 4.229,24 5.944,25 4.194,26 5.021,27 5.192,28 4.355,29 4.3,30 6.252,31 4.282,32 5.151,33 5.339,34 4.372,35 4.362,36 6.343,37 4.339,38 5.167,39 5.355,40 4.424,41 4.38,42 6.403,43 4.344,44 5.241,45 5.45,46 4.299,47 4.325,48 6.615,49 4.259,50 5.158,51 5.414,52 3.818,53 4.149,54 6.169,55 4.009,56 0.173,57 0.794,58 10.95,59 4.944,60 16.435,61 6.308,62 0.384,63 1.272,64 20.687,65 8.701,66 57.889,67 11.52,68 0.334,69 1.627,70 28.133,71 10.52,72 44.13,73 14.401,74 0.548,75 1.816,76 31.534,77 11.022,78 76.718,79 14.668,80 0.698,81 1.966,82 37.888,83 12.097,84 100.839,85 16.108,86 0.755,87 2.021,88 37.614,89 13.067,90 83.572,91 17.779,92 1.294,93 2.003,94 43.222,95 13.307,96 184.993,97 18.551,98 0.787,99 1.697,100 42.461,101 13.581,102 123.189,103 18.97,104 43,105 48,106 0.264,107 0.643,108 0.816,109 0.859,110 0.877,111 0.877,112 3.442,113 0.918,114 -4.49,115 -4.42,116 -4.16,121 40.7,122 2,123 4,124 1,127 1,138 1,141 1,144 4,145 3,146 2,148 1,149 1,158 1,165 1,166 1,167 1,168 2,176 11,179 2,180 10,183 1,185 3,187 14,189 2,192 12,197 3,200 11,203 2,205 1,206 19,208 2,209 3,211 8,214 13,216 4,219 11,224 3,227 10,229 2,231 4,232 11,234 2,235 4,236 1,237 6,238 1,239 15,241 3,243 6,244 9,246 2,247 4,249 3,251 11,253 1,256 8,261 3,264 10,266 1,269 8,274 1,277 6,281 1484,282 20.181,283 20.181,284 20.181,285 20.181,286 20.181,287 17.836,288 25.462,289 11.81,290 20.5,291 16.234,292 16.234,293 16.234,294 16.234,295 16.234,296 12.669,297 29.499,298 5.458,299 16.657,300 4.151,301 1.856,302 0.806,303 0.546,304 0.435,305 0.435,306 4.134,311 1,312 1,313 543,314 3.606,318 252.408,322 199.368,325 1.167,326 44.42,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 66,338 255,339 4.737,340 3.881,341 7.233,342 4.416,343 3.43,344 4.399,345 2.612,346 12.832,347 3.384,348 4.405,349 3.712,350 6.637,351 4.012,352 3.029,353 4.099,354 1.36,355 10.546,356 2.975,357 4.267,358 3.256,359 6.376,360 3.818,361 2.839,362 3.775,363 1.216,364 9.563,365 2.778,366 3.763,367 2.957,368 6.014,369 3.421,370 2.437,371 3.109,372 0.986,373 8.335,374 2.398,375 3.635,376 2.781,377 5.466,378 3.153,379 2.206,380 3.006,382 6.832,383 2.085,384 3.448,385 2.47,386 5.221,387 2.957,388 1.979,389 2.766,391 5.858,392 1.932,393 3.169,394 2.216,395 4.847,396 2.808,397 1.848,398 2.303,400 5.082,401 1.77,402 2.987,403 2.039,404 4.481,405 2.617,406 1.626,407 2.137,409 3.969,410 1.609,411 2.617,412 1.549,413 3.89,414 2.407,415 1.416,416 1.602,418 3.08,419 1.402,420 2.506,421 1.472,422 3.697,423 2.183,424 1.208,425 1.504,427 2.953,428 1.174,429 2.461,430 1.359,431 3.648,432 2,433 1,434 1.448,436 2.362,437 1,438 2.112,439 1.315,440 3.466,441 1.957,442 1,443 1.067,445 2.302,446 0.951,447 1.962,448 1.155,449 3.387,450 1.802,451 0.834,452 0.909,454 1.573,455 0.802,456 1.335,457 1,458 3.072,459 1.052,460 0.092,461 0.107,463 0.238,464 0.088,465 1.091,466 0.511,467 2.848,468 0.864,469 -0.097,470 -0.109,472 -0.254,473 -0.093,474 13.933,475 0.464,476 0.823,477 0.027,478 38.25,479 1.275,480 19,481 0.633,482 19.25,483 0.642,484 29.455,485 0.982,486 32.867,487 0.609,488 32.037,489 1.068,490 7.166,491 0.239,492 7.269,493 0.242,494 0.172,496 0.423,501 0.648,502 1.132,503 0.772,504 1.011,505 0.684,506 0.932,507 0.532,508 1.11,509 0.714,510 1.009,511 0.38,512 0.922,513 0.8,514 1.142,515 0.773,516 0.961,517 0.589,518 0.872,519 1.047,520 1.18,521 0.966,522 1.082,523 0.972,524 1.011,525 1.37,526 1.083,527 1.061,528 0.945,529 1.28,530 0.931,531 0.859,532 1.144,533 0.948,534 1.149,535 0.863,536 1.078,537 0.955,538 1.036,539 1.137,540 1.104,541 0.849,542 1.139,543 1.178,544 0.955,545 1.18,546 1.063,547 1.326,548 1.119,549 5,550 0.045,551 3.556,552 3.125,553 2.796,554 1.965,555 1.364,556 0.759,557 0.337,558 0.139,559 9139,560 25609,561 2.048,562 44.4,563 7,564 6,567 3,568 5,569 3,572 1.743,573 1.875,574 3.008,575 0.9,577 1,582 86.617,583 1.604,584 3.899,585 4.949,586 5.208,587 5.32,588 5.32,589 2.429,590 4.073,591 4.878,592 3.162,593 1375.4,594 8.591,595 17972.3,597 1,599 1,600 310.764,601 1.522,602 4.816,603 0.152,604 0.008,605 0.074,606 0.055,607 0.045,608 0.031,609 0.021,610 0.015,611 0.011,612 0.008,613 0.419,614 0.17,615 1,616 1.216,617 147.527,618 0.079,619 0.083,620 0.038,621 0.086,622 -0.05,623 0.055,624 0.209,625 -0.016,626 0.155,627 0.069,628 0.23,629 0.093,630 -0.048,631 -0.062,632 0.13,633 0.07,634 -0.005,635 0.126,636 -0.053,637 -0.064,638 -0.043,639 -0.092,640 -0.028,641 -0.07,642 -0.241,643 -0.023,644 -0.093,645 0.022,646 -0.176,647 0.004,648 0.123,649 -0.072,650 -0.004,651 -0.167,652 0.047,653 -0.125,654 0.201,655 -0.026,656 -0.138,657 -0.161,658 0.257,659 -0.204,660 -0.155,661 -0.076,662 -0.153,663 -0.094,664 -0.178,665 -0.118,666 2.423,667 4.796,668 0.667,669 23.102,670 1.01,671 1.129,672 3.261,673 10.637,674 0.657,675 3.526,676 3.892,677 4.248,678 4.615,679 4.934,680 5.13,681 5.308,682 5.46,683 5.591,684 5.591,685 5.322,686 0.634,687 408.5,688 3.526,689 5.094,690 5.984,691 6.907,692 7.825,693 8.761,694 9.69,695 10.631,696 11.566,697 12.509,698 7.4,702 1,707 1,708 1,709 1,715 4,716 1,720 7,722 12,733 1,735 1,741 54,743 16,744 1,745 33,747 57,748 22,749 11,750 2,751 4,752 3,756 4,757 7,763 2,767 4,768 1,770 4,772 14,773 8,774 1,777 4,779 1,782 2,785 1,786 3,790 1,793 24,794 7,795 3,796 8,802 4,808 0.5,809 4,822 1,829 4,833 2,839 1,850 1,857 1,858 1,859 2,864 2,868 30,869 1,875 1,876 5,878 1,880 1,893 7.4,895 1,897 1,899 2,901 16,902 10.3,903 6.639,904 3.513,907 3.227,908 1.403,909 0.963,910 5.589,911 11.237,912 3.784,913 4.419,914 5.014,915 5.637,916 6.232,917 6.645,918 7.094,919 7.479,920 7.858,921 8.097,922 0.833,923 57,924 11.19,926 4.948,927 0.026,929 7.933,931 20.998,933 17.623,936 2.433,937 73,939 1,940 1,941 247.193,942 97.403,943 72.138,945 104.43,948 97.403,949 351.623,950 72.138,951 23.32,952 14.731,953 70.802,954 73.226,955 38.818,956 2.328,957 247.193,958 50.747,959 247.193,960 169.541,961 104.43,964 211.88,965 77.997,966 61.747,968 51.923,969 95.162,970 22.456,972 247.193,973 176.568,974 97.403,977 247.193,978 41.848,979 61.225,981 170.898,982 247.193,983 176.568,984 97.403,986 0.583,987 0.359,988 0.216,989 0.125,990 24,991 12,992 0.07,993 4,994 2,995 1.2,996 3.746,997 297.374,998 0.2,999 20,1000 145.207,1005 20.517,1006 8.172,1007 3.522,1009 170.898,1010 6.49,1011 4.773,1015 3.894,1017 75.581,1018 521.165,1019 43,1021 -0.423,1024 23.593,1027 4.608,1028 0.576,1031 54.552,1032 60.983,1034 0.279,1035 0.677,1036 0.86,1037 0.905,1038 0.924,1039 0.924,1040 5.056,1041 1.626,1042 5.999,1043 5.082,1044 4.575,1045 5.106,1046 2.99,1047 6.909,1048 4.529,1049 6.292,1050 1.416,1051 7.618,1052 3.969,1053 4.29,1054 5.085,1055 2.525,1056 8.015,1057 4.232,1058 7.639,1059 1.208,1060 9.344,1061 3.08,1062 6.248,1063 7.351,1064 4.302,1065 11.207,1066 6.166,1067 9.022,1068 1,1069 11.132,1070 2.953,1071 6.792,1072 8.127,1073 4.553,1074 13.149,1075 6.701,1076 10.438,1077 1,1078 12.96,1079 2.362,1080 8.25,1081 9.902,1082 5.986,1083 15.881,1084 8.142,1085 11.878,1086 0.834,1087 14.814,1088 2.302,1089 9.166,1090 11.031,1091 6.568,1092 18.164,1093 9.047,1094 13.335,1095 0.092,1096 16.688,1097 1.573,1098 10.445,1099 12.618,1100 7.804,1101 20.751,1102 10.312,1103 3.43,1104 -0.097,1105 18.577,1106 0.238,1107 11.524,1108 13.913,1109 8.551,1110 23.179,1111 11.379,1112 3.029,1113 12.832,1114 20.478,1115 -0.254,1116 12.743,1117 15.421,1118 9.672,1119 25.724,1120 12.586,1121 2.839,1122 10.546,1123 22.388,1124 4.399,1125 13.894,1126 16.797,1127 10.51,1128 28.215,1129 13.725,1130 2.437,1131 9.563,1132 24.305,1133 4.099,1134 15.099,1135 18.274,1136 11.564,1137 30.751,1138 14.917,1139 2.206,1140 8.335,1141 26.23,1142 3.775,1143 16.282,1144 19.69,1145 12.452,1146 33.271,1147 16.088,1148 1.979,1149 6.832,1150 28.16,1151 3.109,1152 17.487,1153 21.155,1154 13.468,1155 35.809,1156 17.28,1157 1.848,1158 5.858,1159 30.095,1160 3.006,1161 18.687,1162 22.593,1163 14.386,1164 38.342,1165 18.468,1166 8968,1167 15175,1168 21.501,1169 35.455,1170 50.324,1171 51.745,1172 53.415,1173 49.882,1174 49.887,1175 64.459,1176 12.349,1177 151.05,1178 48.693,1179 5.682,1180 5.881,1181 7.002,1182 5.47,1183 5.43,1184 7.399,1185 4.612,1186 20.549,1187 5.384,1188 16.788,1189 1.525,1190 1.568,1191 1.619,1192 1.512,1193 1.512,1194 1.953,1195 0.374,1196 4.577,1197 1.476,1198 4.107,1199 4.135,1200 4.074,1201 4.017,1202 7.815,1203 4.025,1204 3.935,1205 3.967,1206 3.894,1207 3.822,1208 6.999,1209 3.827,1210 3.741,1211 3.776,1212 3.672,1213 3.611,1214 6.473,1215 3.617,1216 3.52,1217 3.577,1218 3.433,1219 3.324,1220 5.122,1221 3.327,1222 3.472,1223 3.498,1224 3.377,1225 3.223,1226 4.804,1227 3.21,1228 3.381,1229 3.453,1230 3.224,1231 3.041,1232 4.671,1233 3.133,1234 3.182,1235 3.245,1236 3.053,1237 2.996,1238 4.519,1239 3.003,1240 3.104,1241 3.194,1242 2.913,1243 2.924,1244 4.363,1245 2.907,1246 0.144,1247 0.118,1248 0.219,1249 0.134,1250 0.104,1251 4.737,1252 0.133,1253 3.881,1254 0.079,1255 7.233,1256 0.389,1257 4.416,1258 0.103,1259 3.43,1260 4.399,1261 2.612,1262 12.832,1263 3.384,1264 2.039,1265 2.015,1266 2.124,1267 2.151,1268 1.428,1269 2.139,1270 1.897,1271 1.865,1272 2.026,1273 2.046,1274 1.268,1275 2.028,1276 1.703,1277 1.668,1278 1.855,1279 1.874,1280 0.973,1281 1.865,1282 1.482,1283 1.421,1284 1.789,1285 1.726,1286 0.931,1287 1.746,1288 1.381,1289 1.317,1290 1.619,1291 1.648,1292 0.773,1293 1.595,1294 1.197,1295 1.166,1296 1.453,1297 1.576,1298 0.722,1299 1.55,1300 1.15,1301 1.089,1302 1.388,1303 1.38,1304 0.566,1305 1.389,1306 1.116,1307 1.033,1308 1.279,1309 1.354,1310 0.213,1311 1.383,1312 4.205,1314 5.557,1316 7.13,1318 8.816,1320 10.564,1322 3.499,1326 6.636,1327 10.706,1328 3.958,1330 5.395,1332 -0.703,1340 34.213,1341 86.617,1342 210.522,1343 267.254,1344 281.254,1345 287.254,1346 287.254,1347 72.452,1348 8.011,1349 126.55,1350 126.55,1351 24,1352 13.004,1353 4.087,1354 3.459,1355 46.27,1356 90,1357 110,1358 0.246,1359 209.044,1360 373.32,1361 501.827,1362 31312,1364 21.413,1365 0.714,1366 0.567,1367 21.413,1368 17.013,1369 14.435,1370 0.437,1371 0.306,1372 9.964,1373 13.815,1374 9.721,1375 8.035,1376 14.435,1377 10.096,1378 13.13,1379 0.274,1380 0.156,1381 13.13,1382 7.493,1383 11.247,1384 0.163,1385 0.083,1386 11.247,1387 5.732,1388 10.323,1389 0.103,1390 0.044,1391 10.323,1392 4.418,1393 8.556,1394 0.062,1395 0.024,1396 8.556,1397 3.274,1398 0.361,1399 91.098,1400 0.216,1401 27.001,1402 0.763,1403 162,1404 499.604,1405 179.234,1406 478.926,1407 651.78,1408 444,1409 198,1410 491.329,1411 214.631,1412 488.974,1413 722.52,1414 461,1415 6.471}
{0 CHEMBL219405,1 1.604,2 9.2,3 3.686,4 13.59,5 115.007,6 7.565,7 0.364,8 4.098,9 4.211,10 3.668,11 3.62,12 5.264,13 3.608,14 4.635,15 4.795,16 4.056,17 4.041,18 5.838,19 4.007,20 4.899,21 5.089,22 4.212,23 4.226,24 5.959,25 4.189,26 5.016,27 5.193,28 4.293,29 4.284,30 6.238,31 4.252,32 5.099,33 5.3,34 4.252,35 4.323,36 6.22,37 4.273,38 5.099,39 5.304,40 4.229,41 4.333,42 6.21,43 4.258,44 5.16,45 5.393,46 4.059,47 4.292,48 6.16,49 4.183,50 5.086,51 5.344,52 3.952,53 4.131,54 6.075,55 4.008,56 0.173,57 0.794,58 10.95,59 4.944,60 16.43,61 6.308,62 0.384,63 1.272,64 20.687,65 8.701,66 57.821,67 11.52,68 0.339,69 1.623,70 28.132,71 10.536,72 44.787,73 14.4,74 0.578,75 1.78,76 31.792,77 11.23,78 80.919,79 14.94,80 0.634,81 1.874,82 36.097,83 12.027,84 90.313,85 16.29,86 0.61,87 1.899,88 35.31,89 12.594,90 80.883,91 17.581,92 0.617,93 1.884,94 39.781,95 13.537,96 85.482,97 18.979,98 0.598,99 1.66,100 38.377,101 13.283,102 67.299,103 18.991,104 43,105 48,106 0.264,107 0.643,108 0.81,109 0.84,110 0.853,111 0.853,112 3.442,113 0.917,114 -4.49,115 -4.42,116 -4.16,121 40.7,122 2,123 4,124 1,127 1,138 1,141 1,144 4,145 3,146 2,148 1,149 1,158 1,165 1,166 1,167 1,168 2,176 11,179 2,180 10,183 1,185 3,187 15,189 2,192 11,197 3,200 13,203 2,205 1,206 15,208 2,209 3,211 8,214 12,216 4,219 11,224 5,227 10,229 3,231 1,232 13,234 1,235 2,236 1,237 6,238 1,239 16,241 3,244 5,249 1,251 12,255 3,256 5,258 1,259 2,261 3,264 10,266 1,268 6,269 6,271 2,272 4,274 1,277 3,281 1556,282 20.129,283 20.129,284 20.129,285 20.129,286 20.129,287 17.811,288 27.293,289 11.69,290 20.451,291 16.217,292 16.217,293 16.217,294 16.217,295 16.217,296 12.676,297 31.305,298 5.404,299 16.645,300 4.151,301 1.856,302 0.843,303 0.658,304 0.584,305 0.584,306 4.134,311 1,312 1,313 589,314 3.606,318 262.003,322 209.826,325 1.253,326 41.783,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 66,338 276,339 4.717,340 3.801,341 7.192,342 4.394,343 3.408,344 4.381,345 2.612,346 12.665,347 3.361,348 4.344,349 3.77,350 6.601,351 3.977,352 2.991,353 3.967,354 1.36,355 10.405,356 2.948,357 4.237,358 3.256,359 6.059,360 3.735,361 2.761,362 3.807,363 1.216,364 8.491,365 2.689,366 3.847,367 2.955,368 5.931,369 3.473,370 2.487,371 3.265,372 0.986,373 8.206,374 2.451,375 3.72,376 2.778,377 5.7,378 3.305,379 2.34,380 3.08,382 7.524,383 2.258,384 3.471,385 2.452,386 5.298,387 3.057,388 2.095,389 2.768,391 6.353,392 2.009,393 3.168,394 2.215,395 4.851,396 2.808,397 1.848,398 2.295,400 5.095,401 1.77,402 2.991,403 2.093,404 4.549,405 2.506,406 1.521,407 2.102,409 4.153,410 1.496,411 2.533,412 1.693,413 3.892,414 2.394,415 1.408,416 1.519,418 3.077,419 1.387,420 2.5,421 1.476,422 3.744,423 2.142,424 1.159,425 1.5,427 2.845,428 1.136,429 2.474,430 1.442,431 3.651,432 2,433 1,434 1.463,436 2.376,437 1,438 2.112,439 1.223,440 3.414,441 1.957,442 1,443 1.067,445 2.275,446 0.951,447 1.965,448 1,449 3.392,450 1.807,451 0.84,452 0.914,454 1.583,455 0.808,456 1.336,457 1,458 3.073,459 1.052,460 0.092,461 0.107,463 0.238,464 0.088,465 1.102,466 0.513,467 2.848,468 0.864,469 -0.097,470 -0.109,472 -0.254,473 -0.093,474 13.933,475 0.464,476 0.84,477 0.028,478 38.25,479 1.275,480 19,481 0.633,482 19.25,483 0.642,484 29.059,485 0.969,486 32.867,487 0.609,488 31.207,489 1.04,490 7.15,491 0.238,492 7.268,493 0.242,494 0.172,496 0.423,501 0.648,502 1.132,503 0.772,504 1.011,505 0.685,506 0.932,507 0.532,508 1.11,509 0.714,510 1.009,511 0.377,512 0.922,513 0.809,514 1.132,515 0.803,516 0.974,517 0.578,518 0.895,519 1.044,520 1.129,521 1.012,522 1.075,523 0.988,524 1.04,525 1.19,526 1.045,527 1.072,528 0.961,529 1.013,530 0.979,531 0.764,532 1.137,533 1.045,534 1.148,535 0.561,536 1.145,537 0.965,538 1.075,539 1.133,540 1.129,541 0.847,542 1.155,543 0.667,544 1.017,545 0.896,546 1.143,547 0.729,548 1.087,549 5.5,550 0.136,551 3.778,552 3,553 2.876,554 1.771,555 1.01,556 0.715,557 0.489,558 0.262,559 9715,560 28201,561 2.048,562 44.4,563 7,564 6,567 3,568 5,569 3,572 1.739,573 1.875,574 3.146,575 0.9,577 1,582 86.617,583 1.604,584 3.899,585 4.912,586 5.097,587 5.171,588 5.171,589 2.589,590 4.282,591 4.873,592 3.332,593 1449.62,594 8.567,595 19000.6,597 1,599 1,600 310.764,601 1.522,602 4.816,603 0.167,604 0.01,605 0.079,606 0.054,607 0.05,608 0.032,609 0.019,610 0.017,611 0.013,612 0.009,613 0.449,614 0.17,615 1,616 1.216,617 149.186,618 0.079,619 0.083,620 0.038,621 0.086,622 -0.051,623 0.055,624 0.209,625 -0.016,626 0.155,627 0.069,628 0.232,629 0.093,630 -0.056,631 -0.051,632 0.099,633 0.056,634 0.007,635 0.103,636 -0.063,637 -0.036,638 -0.085,639 -0.08,640 -0.039,641 -0.087,642 -0.206,643 0.005,644 -0.12,645 0.022,646 -0.141,647 -0.019,648 0.024,649 -0.075,650 -0.123,651 -0.149,652 0.034,653 -0.162,654 -0.123,655 -0.096,656 -0.169,657 -0.141,658 -0.115,659 -0.157,660 0.139,661 -0.11,662 0.097,663 -0.153,664 0.033,665 -0.061,666 2.438,667 4.681,668 0.667,669 26.382,670 1.01,671 1.129,672 3.261,673 10.637,674 0.657,675 3.526,676 3.892,677 4.234,678 4.575,679 4.89,680 5.081,681 5.273,682 5.485,683 5.617,684 5.583,685 5.726,686 0.634,687 408.5,688 3.526,689 5.094,690 5.979,691 6.895,692 7.806,693 8.733,694 9.655,695 10.589,696 11.517,697 12.454,698 7.4,702 1,707 1,708 1,709 1,715 4,716 1,720 7,722 12,733 1,735 1,741 54,743 16,744 1,745 33,747 57,748 22,749 11,750 2,751 4,752 3,756 4,757 7,763 2,767 4,768 1,770 4,772 14,773 8,774 1,777 4,779 1,782 2,785 1,786 3,790 1,793 24,794 7,795 3,796 8,802 4,808 0.5,809 4,822 1,829 4,833 2,839 1,850 1,857 1,858 1,859 2,864 2,868 30,869 1,875 1,876 5,878 1,880 1,893 7.4,895 1,897 1,899 2,901 16,902 10.3,903 6.611,904 3.506,907 3.098,908 1.387,909 0.963,910 5.589,911 11.109,912 3.784,913 4.419,914 5.004,915 5.604,916 6.204,917 6.623,918 7.074,919 7.517,920 7.906,921 8.097,922 1,923 56,924 11.151,926 4.894,927 0.026,929 7.933,931 20.998,933 17.618,936 2.433,937 73,939 1,940 1,941 247.193,942 97.403,943 72.138,945 104.43,948 97.403,949 351.623,950 72.138,951 23.32,952 14.731,953 70.802,954 73.226,955 38.818,956 2.328,957 247.193,958 50.747,959 247.193,960 169.541,961 104.43,964 211.88,965 77.997,966 61.747,968 51.923,969 95.162,970 22.456,972 247.193,973 176.568,974 97.403,977 247.193,978 41.848,979 61.225,981 170.898,982 247.193,983 176.568,984 97.403,986 0.586,987 0.357,988 0.204,989 0.117,990 24,991 12,992 0.07,993 4,994 2,995 1.2,996 3.826,997 291.206,998 0.2,999 20,1000 141.207,1005 20.517,1006 8.172,1007 3.63,1009 170.898,1010 6.271,1011 4.806,1015 4.669,1017 75.581,1018 521.165,1019 43,1021 -0.438,1024 22.197,1027 4.64,1028 0.867,1031 54.552,1032 60.983,1034 0.279,1035 0.677,1036 0.854,1037 0.886,1038 0.899,1039 0.899,1040 5.056,1041 1.521,1042 5.994,1043 5.095,1044 4.575,1045 5.106,1046 2.99,1047 6.889,1048 4.529,1049 6.292,1050 1.408,1051 7.606,1052 4.153,1053 4.29,1054 5.085,1055 2.525,1056 7.966,1057 4.232,1058 7.637,1059 1.159,1060 9.323,1061 3.077,1062 6.24,1063 7.346,1064 4.302,1065 11.137,1066 6.159,1067 9.017,1068 1,1069 11.099,1070 2.845,1071 6.77,1072 8.107,1073 4.553,1074 13.051,1075 6.679,1076 10.428,1077 1,1078 12.915,1079 2.376,1080 8.222,1081 9.879,1082 5.986,1083 15.769,1084 8.114,1085 11.861,1086 0.84,1087 14.757,1088 2.275,1089 9.118,1090 10.986,1091 6.568,1092 18.037,1093 9,1094 13.31,1095 0.092,1096 16.62,1097 1.583,1098 10.39,1099 12.568,1100 7.804,1101 20.613,1102 10.258,1103 3.408,1104 -0.097,1105 18.497,1106 0.238,1107 11.453,1108 13.843,1109 8.551,1110 23.031,1111 11.311,1112 2.991,1113 12.665,1114 20.388,1115 -0.254,1116 12.666,1117 15.346,1118 9.672,1119 25.567,1120 12.511,1121 2.761,1122 10.405,1123 22.288,1124 4.381,1125 13.805,1126 16.705,1127 10.51,1128 28.049,1129 13.638,1130 2.487,1131 8.491,1132 24.198,1133 3.967,1134 15.004,1135 18.176,1136 11.564,1137 30.576,1138 14.824,1139 2.34,1140 8.206,1141 26.115,1142 3.807,1143 16.178,1144 19.579,1145 12.452,1146 33.086,1147 15.986,1148 2.095,1149 7.524,1150 28.039,1151 3.265,1152 17.378,1153 21.038,1154 13.468,1155 35.614,1156 17.173,1157 1.848,1158 6.353,1159 29.968,1160 3.08,1161 18.571,1162 22.466,1163 14.386,1164 38.137,1165 18.354,1166 9507,1167 16362,1168 21.501,1169 35.455,1170 50.343,1171 51.736,1172 53.242,1173 49.895,1174 49.9,1175 64.469,1176 12.349,1177 150.571,1178 48.704,1179 5.662,1180 5.801,1181 6.961,1182 5.448,1183 5.408,1184 7.381,1185 4.612,1186 20.359,1187 5.361,1188 17.197,1189 1.526,1190 1.568,1191 1.613,1192 1.512,1193 1.512,1194 1.954,1195 0.374,1196 4.563,1197 1.476,1198 4.1,1199 4.129,1200 4.065,1201 4.014,1202 7.815,1203 4.021,1204 3.94,1205 3.971,1206 3.901,1207 3.823,1208 6.999,1209 3.828,1210 3.757,1211 3.792,1212 3.69,1213 3.619,1214 6.473,1215 3.628,1216 3.526,1217 3.579,1218 3.438,1219 3.325,1220 5.122,1221 3.329,1222 3.46,1223 3.492,1224 3.371,1225 3.223,1226 4.805,1227 3.211,1228 3.38,1229 3.451,1230 3.223,1231 3.098,1232 4.661,1233 3.165,1234 3.157,1235 3.224,1236 3.028,1237 2.941,1238 4.518,1239 2.948,1240 3.097,1241 3.174,1242 2.904,1243 2.862,1244 4.362,1245 2.877,1246 0.143,1247 0.115,1248 0.218,1249 0.133,1250 0.103,1251 4.717,1252 0.133,1253 3.801,1254 0.079,1255 7.192,1256 0.384,1257 4.394,1258 0.102,1259 3.408,1260 4.381,1261 2.612,1262 12.665,1263 3.361,1264 2.037,1265 2.012,1266 2.124,1267 2.144,1268 1.427,1269 2.135,1270 1.897,1271 1.866,1272 2.026,1273 2.053,1274 1.263,1275 2.029,1276 1.71,1277 1.676,1278 1.855,1279 1.889,1280 0.977,1281 1.877,1282 1.483,1283 1.422,1284 1.789,1285 1.73,1286 0.932,1287 1.748,1288 1.381,1289 1.317,1290 1.62,1291 1.629,1292 0.773,1293 1.599,1294 1.238,1295 1.199,1296 1.454,1297 1.573,1298 0.722,1299 1.538,1300 1.125,1301 1.045,1302 1.399,1303 1.364,1304 0.569,1305 1.389,1306 1.042,1307 0.992,1308 1.19,1309 1.346,1310 0.218,1311 1.341,1312 4.205,1314 5.557,1316 7.125,1318 8.801,1320 10.538,1322 3.58,1326 6.65,1327 10.681,1328 4.141,1330 5.418,1332 -0.482,1340 34.213,1341 86.617,1342 210.522,1343 265.254,1344 275.254,1345 279.254,1346 279.254,1347 68.066,1348 8.011,1349 126.55,1350 126.55,1351 24,1352 12.953,1353 4.087,1354 3.459,1355 46.47,1356 96,1357 118,1358 0.23,1359 209.044,1360 373.32,1361 501.827,1362 31312,1364 21.413,1365 0.714,1366 0.567,1367 21.413,1368 17.013,1369 14.418,1370 0.437,1371 0.306,1372 9.958,1373 13.796,1374 9.713,1375 8.027,1376 14.418,1377 10.09,1378 13.193,1379 0.275,1380 0.157,1381 13.193,1382 7.526,1383 11.325,1384 0.167,1385 0.084,1386 11.325,1387 5.725,1388 10.084,1389 0.105,1390 0.045,1391 10.084,1392 4.331,1393 8.297,1394 0.063,1395 0.024,1396 8.297,1397 3.217,1398 0.343,1399 90.997,1400 0.216,1401 27.355,1402 0.69,1403 162,1404 499.604,1405 179.234,1406 479.105,1407 651.22,1408 444,1409 197,1410 490.329,1411 213.464,1412 488.232,1413 719.48,1414 460,1415 6.51}
{0 CHEMBL219406,1 1.433,2 8.5,3 4.278,4 18.303,5 112.723,6 6.864,7 0.387,8 4.091,9 4.214,10 3.588,11 3.645,12 5.143,13 3.607,14 4.642,15 4.823,16 3.975,17 4.062,18 5.631,19 3.998,20 4.897,21 5.096,22 4.132,23 4.248,24 5.839,25 4.178,26 5.017,27 5.217,28 4.216,29 4.302,30 6.099,31 4.234,32 5.101,33 5.319,34 4.209,35 4.334,36 6.137,37 4.263,38 5.097,39 5.305,40 4.188,41 4.348,42 6.18,43 4.257,44 5.159,45 5.405,46 3.956,47 4.319,48 6.054,49 4.175,50 5.082,51 5.356,52 3.715,53 4.174,54 5.891,55 3.987,56 0.059,57 0.778,58 12.438,59 5.332,60 11.395,61 7.188,62 0.249,63 1.273,64 22.693,65 9.254,66 25.517,67 12.807,68 0.214,69 1.623,70 29.73,71 11.214,72 27.162,73 15.855,74 0.418,75 1.808,76 34.1,77 12.032,78 55.481,79 17.037,80 0.415,81 1.905,82 37.829,83 12.505,84 59.449,85 17.833,86 0.516,87 1.911,88 37.209,89 13.036,90 73.287,91 18.617,92 0.407,93 1.921,94 40.288,95 14.36,96 55.119,97 20.528,98 0.272,99 1.702,100 37.413,101 14.214,102 44.102,103 20.447,104 29,105 45,106 0.237,107 0.6,108 0.781,109 0.829,110 0.853,111 0.853,112 3.376,113 0.968,114 -4.62,115 -4.54,116 -4.27,121 41.8,122 3,123 4,124 1,127 1,138 1,141 1,144 4,145 4,146 1,148 1,149 1,158 1,165 1,166 1,167 1,176 14,179 1,180 8,183 1,185 3,187 19,189 2,192 5,197 3,200 16,203 2,205 1,206 10,208 2,209 3,211 8,214 14,216 4,219 8,224 5,227 13,229 3,231 1,232 9,234 1,235 2,236 1,237 6,238 1,239 18,241 3,244 4,249 3,251 14,253 1,256 6,261 5,264 13,266 2,269 1,274 1,277 7,281 1232,282 18.922,283 18.922,284 18.922,285 18.922,286 18.922,287 16.856,288 24.765,289 11.055,290 19.187,291 15.249,292 15.249,293 15.249,294 15.249,295 15.249,296 12.106,297 27.632,298 5.145,299 15.597,300 4.349,301 2.153,302 1.059,303 0.768,304 0.623,305 0.623,306 4.07,311 1,312 1,313 511,314 3.162,318 234.088,322 188.456,325 1.179,326 26.775,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 59.5,338 238,339 4.717,340 3.794,341 7.192,342 4.394,343 3.408,344 4.381,345 1.36,346 12.665,347 3.361,348 4.338,349 3.256,350 6.601,351 3.975,352 2.989,353 3.854,354 1.216,355 10.404,356 2.947,357 4.006,358 2.965,359 6.056,360 3.594,361 2.601,362 3.572,363 0.986,364 8.465,365 2.583,366 3.75,367 2.784,368 5.739,369 3.405,370 2.419,371 3.098,373 7.69,374 2.385,375 3.588,376 2.567,377 5.31,378 3.185,379 2.222,380 2.889,382 6.473,383 2.14,384 3.353,385 2.37,386 5.021,387 3.01,388 2.032,389 2.621,391 5.871,392 1.98,393 3.163,394 2.191,395 4.847,396 2.808,397 1.848,398 2.281,400 5.09,401 1.769,402 2.57,403 1.781,404 4.471,405 2.429,406 1.435,407 1.569,409 3.943,410 1.426,411 2.5,412 1.48,413 3.861,414 2.328,415 1.36,416 1.5,418 3.074,419 1.313,420 2.479,421 1.456,422 3.654,423 2,424 1,425 1.476,427 2.424,428 1,429 2.113,430 1.234,431 3.414,432 1.96,433 1,434 1.067,436 2.275,437 0.955,438 1.977,439 1,440 3.402,441 1.837,442 0.876,443 0.933,445 1.606,446 0.836,447 1.341,448 0.519,449 3.089,450 1.06,451 0.096,452 0.112,454 0.248,455 0.092,456 1.195,457 0.301,458 2.849,459 0.922,460 -0.057,461 -0.066,463 -0.143,464 -0.056,465 1.052,466 0.159,467 2.639,468 0.835,469 -0.134,470 -0.154,472 -0.318,473 -0.13,474 13.367,475 0.477,476 0.751,477 0.027,478 33.5,479 1.196,480 16,481 0.571,482 17.5,483 0.625,484 29.144,485 1.041,486 30.433,487 0.553,488 25.285,489 0.903,490 6.164,491 0.22,492 7.343,493 0.262,494 0.167,496 0.411,501 0.951,502 1.165,503 0.887,504 1.048,505 1.053,506 0.972,507 0.665,508 1.054,509 0.776,510 0.959,511 0.512,512 0.897,513 1.005,514 1.139,515 0.894,516 0.987,517 0.876,518 0.934,519 1.118,520 1.148,521 1.004,522 1.068,523 1.225,524 1.026,525 1.539,526 1.041,527 1.056,528 0.922,529 1.53,530 0.922,531 1.105,532 1.136,533 1.118,534 1.12,535 1.041,536 1.115,537 1.218,538 1.023,539 1.189,540 1.087,541 1.274,542 1.124,543 0.79,544 1.101,545 1.04,546 1.172,547 0.813,548 1.147,549 5,550 0.045,551 3.333,552 2.75,553 2.796,554 1.646,555 1.01,556 0.715,557 0.258,558 0.171,559 7981,560 17361,561 2.072,562 49.1,563 10,564 6,567 3,568 5,569 3,572 1.723,573 1.909,574 3.036,575 0.847,577 1,582 78.796,583 1.433,584 3.628,585 4.722,586 5.013,587 5.158,588 5.158,589 2.455,590 4.111,591 4.776,592 3.192,593 1206.6,594 8.376,595 15009.1,597 1,599 1,600 317.975,601 1.497,602 4.723,603 0.161,604 0.006,605 0.074,606 0.053,607 0.052,608 0.03,609 0.02,610 0.018,611 0.009,612 0.012,613 0.436,614 0.33,615 1,616 1.131,617 135.241,618 -0.068,619 0.019,620 0.038,621 0.052,622 -0.13,623 0.058,624 0.21,625 0.027,626 0.17,627 0.1,628 0.184,629 0.123,630 -0.051,631 -0.06,632 0.069,633 0.034,634 -0.068,635 0.06,636 0.08,637 -0.055,638 -0.012,639 -0.084,640 0.068,641 -0.066,642 -0.183,643 0.023,644 -0.04,645 0.036,646 -0.118,647 0.022,648 0.077,649 -0.061,650 -0.127,651 -0.141,652 0.139,653 -0.155,654 -0.163,655 -0.031,656 -0.204,657 -0.112,658 -0.205,659 -0.152,660 0.002,661 -0.188,662 -0.076,663 -0.18,664 0.005,665 -0.144,666 1.753,667 4.701,668 0.714,669 22.286,670 0.992,671 1.125,672 3.39,673 11.49,674 0.656,675 3.466,676 3.829,677 4.174,678 4.533,679 4.86,680 5.03,681 5.209,682 5.416,683 5.493,684 5.489,685 5.289,686 0.615,687 377.53,688 3.466,689 5.03,690 5.916,691 6.834,692 7.747,693 8.677,694 9.602,695 10.537,696 11.467,697 12.406,698 5.5,702 1,707 1,708 1,715 4,716 1,720 7,722 12,733 1,741 55,743 14,744 1,745 31,747 58,748 23,749 11,750 2,751 4,752 3,756 4,757 7,763 3,767 4,768 1,770 4,772 14,773 9,774 1,777 2,785 1,786 3,790 1,793 27,794 5,795 3,796 5,802 3,808 0.5,809 2,822 1,829 4,833 2,839 1,850 1,857 1,858 1,859 2,864 3,868 28,869 1,875 1,876 5,878 1,880 1,893 3.6,895 1,897 1,901 14.667,902 10.767,903 6.167,904 3.639,907 2.878,908 1.367,909 0.974,910 5.157,911 10.725,912 3.689,913 4.317,914 4.92,915 5.535,916 6.147,917 6.529,918 6.972,919 7.424,920 7.751,921 7.956,922 0.833,923 52,924 10.412,926 4.482,927 0.026,929 7.607,931 20.242,933 17.084,936 2.107,937 59,939 1,940 1,941 282.506,942 106.657,943 66.468,945 53.683,948 106.657,949 336.19,950 66.468,951 26.476,952 14.731,953 70.802,954 73.226,955 39.247,956 2.328,957 282.506,959 282.506,960 173.125,961 53.683,964 247.193,965 77.997,966 11,968 60.748,969 95.591,970 16.786,972 282.506,973 120.151,974 106.657,977 282.506,978 42.276,979 64.381,981 120.151,982 282.506,983 120.151,984 106.657,986 0.584,987 0.355,988 0.209,989 0.124,990 23,991 11,992 0.052,993 3,994 2,995 1.2,996 3.682,997 266.949,998 0.2,999 20,1000 130.606,1005 19.012,1006 7.595,1007 3.341,1009 120.151,1010 8.321,1011 4.886,1015 6.775,1017 75.581,1018 509.315,1019 39,1027 4.72,1028 1.297,1031 54.563,1032 61.896,1034 0.248,1035 0.628,1036 0.817,1037 0.867,1038 0.892,1039 0.892,1040 4.963,1041 1.435,1042 5.927,1043 5.09,1044 4.511,1045 5.004,1046 2.161,1047 6.821,1048 4.471,1049 6.191,1050 1.36,1051 7.535,1052 3.943,1053 4.205,1054 4.924,1055 1.06,1056 7.892,1057 4.16,1058 7.53,1059 1,1060 9.248,1061 3.074,1062 6.172,1063 7.225,1064 2.408,1065 11.078,1066 6.103,1067 8.904,1068 1,1069 11.023,1070 2.424,1071 6.686,1072 7.933,1073 1.679,1074 13.001,1075 6.613,1076 10.312,1077 0.876,1078 12.839,1079 2.275,1080 8.15,1081 9.739,1082 2.762,1083 15.731,1084 8.059,1085 11.742,1086 0.096,1087 14.683,1088 1.606,1089 9.043,1090 10.811,1091 2.248,1092 18.008,1093 8.943,1094 13.19,1095 -0.057,1096 16.549,1097 0.248,1098 10.324,1099 12.417,1100 3.184,1101 20.592,1102 10.21,1103 3.408,1104 -0.134,1105 18.431,1106 -0.143,1107 11.391,1108 13.674,1109 2.825,1110 23.017,1111 11.265,1112 2.989,1113 12.665,1114 20.326,1115 -0.318,1116 12.611,1117 15.193,1118 3.653,1119 25.557,1120 12.471,1121 2.601,1122 10.404,1123 22.233,1124 4.381,1125 13.756,1126 16.547,1127 3.415,1128 28.042,1129 13.603,1130 2.419,1131 8.465,1132 24.148,1133 3.854,1134 14.961,1135 18.029,1136 4.154,1137 30.571,1138 14.794,1139 2.222,1140 7.69,1141 26.071,1142 3.572,1143 16.141,1144 19.434,1145 4.015,1146 33.083,1147 15.961,1148 2.032,1149 6.473,1150 28,1151 3.098,1152 17.345,1153 20.902,1154 4.679,1155 35.612,1156 17.151,1157 1.848,1158 5.871,1159 29.934,1160 2.889,1161 18.543,1162 22.335,1163 4.622,1164 38.135,1165 18.335,1166 7769,1167 11588,1168 20.403,1169 36.063,1170 47.082,1171 47.23,1172 49.831,1173 46.555,1174 46.573,1175 58.704,1176 7.124,1177 140.455,1178 45.571,1179 5.662,1180 5.794,1181 6.961,1182 5.447,1183 5.408,1184 7.381,1185 2.576,1186 20.359,1187 5.361,1188 14.774,1189 1.519,1190 1.524,1191 1.607,1192 1.502,1193 1.502,1194 1.894,1195 0.23,1196 4.531,1197 1.47,1198 4.092,1199 4.122,1200 4.055,1201 4.015,1202 6.473,1203 4.02,1204 3.892,1205 3.926,1206 3.822,1207 3.825,1208 5.123,1209 3.82,1210 3.732,1211 3.768,1212 3.656,1213 3.62,1214 4.811,1215 3.622,1216 3.519,1217 3.577,1218 3.379,1219 3.325,1220 4.705,1221 3.328,1222 3.381,1223 3.454,1224 3.225,1225 3.223,1226 4.519,1227 3.21,1228 3.239,1229 3.309,1230 3.099,1231 3.094,1232 4.363,1233 3.084,1234 3.124,1235 3.212,1236 2.958,1237 2.94,1238 3.972,1239 2.931,1240 3.072,1241 3.139,1242 2.884,1243 2.855,1244 3.919,1245 2.85,1246 0.152,1247 0.122,1248 0.232,1249 0.142,1250 0.11,1251 4.717,1252 0.141,1253 3.794,1254 0.044,1255 7.192,1256 0.409,1257 4.394,1258 0.108,1259 3.408,1260 4.381,1261 1.36,1262 12.665,1263 3.361,1264 2.037,1265 2.012,1266 2.127,1267 2.134,1268 1.427,1269 2.132,1270 1.898,1271 1.865,1272 2.042,1273 1.991,1274 1.271,1275 2.009,1276 1.711,1277 1.675,1278 1.87,1279 1.859,1280 1.027,1281 1.865,1282 1.483,1283 1.422,1284 1.792,1285 1.724,1286 0.936,1287 1.746,1288 1.381,1289 1.317,1290 1.627,1291 1.577,1292 0.773,1293 1.596,1294 1.245,1295 1.178,1296 1.53,1297 1.443,1298 0.725,1299 1.478,1300 1.125,1301 1.043,1302 1.452,1303 1.358,1304 0.652,1305 1.389,1306 1.048,1307 0.98,1308 1.337,1309 1.321,1310 0.467,1311 1.33,1312 4.143,1314 5.493,1316 7.062,1318 8.742,1320 10.484,1322 5.811,1326 6.71,1327 10.701,1328 4.541,1330 5.488,1332 -0.251,1340 33.815,1341 78.796,1342 199.536,1343 259.71,1344 275.71,1345 283.71,1346 283.71,1347 50.601,1348 7.847,1349 80.73,1350 80.73,1351 24,1352 12.904,1353 3.907,1354 3.17,1355 41.832,1356 84,1357 100,1358 0.241,1359 206.777,1360 364.68,1361 496.296,1362 25340,1364 19.836,1365 0.708,1366 0.598,1367 19.836,1368 16.75,1369 13.507,1370 0.436,1371 0.323,1372 9.913,1373 13.135,1374 9.572,1375 7.958,1376 13.507,1377 10.001,1378 12.294,1379 0.273,1380 0.169,1381 12.294,1382 7.588,1383 10.627,1384 0.166,1385 0.089,1386 10.627,1387 5.699,1388 9.558,1389 0.104,1390 0.047,1391 9.558,1392 4.301,1393 8.093,1394 0.063,1395 0.025,1396 8.093,1397 3.262,1398 0.356,1399 83.634,1400 0.221,1401 25.665,1402 0.737,1403 152,1404 376.488,1405 163.057,1406 369.814,1407 521.2,1408 348,1409 185,1410 398.964,1411 195.645,1412 405.941,1413 603.64,1414 384,1415 6.771}
{0 CHEMBL219550,1 1.541,2 15.568,3 4.215,4 17.766,5 141.622,6 7.136,7 0.425,8 4.349,9 4.468,10 3.87,11 3.835,12 5.435,13 3.82,14 4.901,15 5.08,16 4.189,17 4.213,18 5.928,19 4.173,20 5.131,21 5.334,22 4.341,23 4.363,24 6.179,25 4.311,26 5.195,27 5.4,28 4.328,29 4.367,30 6.254,31 4.315,32 5.255,33 5.469,34 4.264,35 4.376,36 6.317,37 4.302,38 5.242,39 5.47,40 4.133,41 4.361,42 6.274,43 4.247,44 5.253,45 5.517,46 3.972,47 4.264,48 6.244,49 4.13,50 5.086,51 5.344,52 3.808,53 4.12,54 6.098,55 3.978,56 0.077,57 1.008,58 15.527,59 6.671,60 10.268,61 8.749,62 0.418,63 1.568,64 29.731,65 10.763,66 37.193,67 14.715,68 0.605,69 1.922,70 38.228,71 13.045,72 58.885,73 18.598,74 0.612,75 2.025,76 41.2,77 12.911,78 65.762,79 18.514,80 1.018,81 2.048,82 45.085,83 13.656,84 89.095,85 19.411,86 0.759,87 2.001,88 44.04,89 14.725,90 80.906,91 20.957,92 0.784,93 1.868,94 46.497,95 14.666,96 102.736,97 21.124,98 0.72,99 1.582,100 39.113,101 12.767,102 105.909,103 18.288,104 35,105 54,106 0.241,107 0.558,108 0.724,109 0.809,110 0.841,111 0.859,112 3.641,113 0.944,114 -3.42,115 -3.4,116 -3.25,121 39.4,123 7,126 3,127 1,144 6,145 3,146 4,148 2,160 2,173 1,176 12,180 8,183 2,185 5,187 11,191 2,192 11,195 1,197 9,200 6,205 1,206 7,209 1,211 9,214 7,218 2,219 3,222 3,224 7,227 13,231 1,232 3,235 2,236 1,237 2,239 13,243 1,244 7,248 1,251 12,255 1,256 7,259 1,261 1,264 8,269 6,272 1,274 5,277 6,281 2586,282 25.507,283 25.507,284 25.507,285 25.507,286 25.507,287 23.249,288 27.59,289 15.218,290 26.15,291 19.561,292 19.561,293 19.561,294 19.561,295 19.561,296 15.718,297 23.233,298 6.941,299 20.26,300 4.608,301 2.576,302 1.519,303 0.969,304 0.768,305 0.652,306 4.338,312 1,313 1239,314 4.528,318 434.441,322 338.595,325 2.244,326 39.662,329 0.75,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.71,337 81,338 576,339 4.641,340 3.582,341 6.83,342 4.208,343 3.227,344 4.564,345 1.886,346 11.349,347 3.165,348 4.454,349 3.572,350 6.547,351 4.051,352 3.093,353 4.141,354 1.058,355 10.344,356 2.971,357 3.921,358 3.35,359 5.982,360 3.589,361 2.606,362 3.438,363 0.86,364 8.37,365 2.535,366 3.915,367 3.314,368 5.955,369 3.524,370 2.532,371 3.272,372 0.86,373 8.294,374 2.512,375 3.672,376 2.666,377 5.389,378 3.398,379 2.39,380 2.924,381 0.86,382 6.754,383 2.399,384 3.488,385 2.555,386 5.19,387 3.089,388 2.121,389 2.783,391 6.118,392 2.045,393 3.355,394 2.314,395 5.021,396 2.972,397 2.061,398 2.604,400 6.023,401 1.867,402 2.938,403 2.097,404 4.34,405 2.69,406 1.718,407 2.141,409 4.136,410 1.666,411 2.929,412 1.831,413 4.116,414 2.514,415 1.525,416 1.995,418 3.341,419 1.506,420 2.613,421 1.764,422 3.901,423 2.36,424 1.381,425 1.64,427 3.329,428 1.343,429 2.58,430 1.623,431 3.751,432 2.345,433 1.347,434 1.561,436 3.105,437 1.343,438 2.488,439 1.449,440 3.594,441 2.242,442 1.247,443 1.487,445 2.902,446 1.24,447 2.16,448 1.35,449 3.594,450 2.029,451 1.1,452 1.143,454 2.501,455 1.022,456 2.134,457 1.269,458 3.504,459 1.907,460 1,461 1.094,463 2.158,464 0.891,465 1.844,466 1.236,467 3.078,468 1.649,469 0.658,470 0.737,472 1.425,473 0.646,474 17.267,475 0.467,476 0.708,477 0.019,478 44.5,479 1.203,480 21,481 0.568,482 23.5,483 0.635,484 36.114,485 0.976,486 41.533,487 0.585,488 36.778,489 0.994,490 8.772,491 0.237,492 9.277,493 0.251,494 0.125,496 0.319,501 0.792,502 1.289,503 0.827,504 1.188,505 0.58,506 1.034,507 1.031,508 1.094,509 0.901,510 0.969,511 0.665,512 0.922,513 0.829,514 1.168,515 0.852,516 1.014,517 0.902,518 0.945,519 1.139,520 1.209,521 1.059,522 1.092,523 1.229,524 1.052,525 1.26,526 1,527 1.181,528 0.974,529 1.114,530 1.041,531 0.98,532 1.092,533 1.167,534 1.158,535 1.136,536 1.189,537 1.116,538 0.853,539 1.062,540 0.931,541 1.609,542 0.979,543 1.027,544 0.913,545 1.07,546 0.979,547 1.34,548 1.03,549 6,550 0.14,551 4.222,552 2.563,553 2.484,554 1.278,555 0.669,556 0.372,557 0.295,558 0.142,559 24306,560 63120,561 2.054,562 47.9,563 8,564 17,567 3,568 4,569 2,572 1.774,573 1.93,574 3.828,575 0.782,582 109.443,583 1.541,584 3.574,585 4.631,586 5.181,587 5.382,588 5.498,589 3.137,590 4.615,591 5.19,592 4.103,593 2732.32,594 9.084,595 49053.3,600 436.632,601 1.374,602 5.143,603 0.15,604 0.005,605 0.078,606 0.042,607 0.043,608 0.024,609 0.015,610 0.01,611 0.009,612 0.005,613 0.381,614 0.33,615 0.75,616 0.825,617 209.525,618 -0.014,619 -0.037,620 0.052,621 -0.047,622 -0.001,623 0.006,624 -0.043,625 0.012,626 0.049,627 0.082,628 0.034,629 0.079,630 0.103,631 -0.095,632 0.107,633 0.003,634 0.039,635 0.048,636 -0.076,637 -0.12,638 -0.076,639 -0.117,640 -0.108,641 -0.095,642 -0.057,643 0.046,644 -0.17,645 -0.019,646 -0.049,647 -0.1,648 -0.015,649 -0.078,650 -0.191,651 -0.169,652 -0.029,653 -0.206,654 -0.092,655 0.068,656 -0.053,657 0.021,658 -0.114,659 -0.003,660 -0.025,661 0.002,662 -0.07,663 -0.007,664 0.031,665 -0.042,666 1.917,667 5.604,668 0.541,669 40.484,670 1.004,671 1.131,672 2.186,673 4.78,674 0.644,675 3.714,676 4.007,677 4.304,678 4.564,679 4.812,680 4.868,681 4.949,682 4.956,683 4.97,684 4.828,685 9.553,686 0.614,687 506.66,688 3.714,689 5.242,690 6.094,691 6.967,692 7.84,693 8.723,694 9.605,695 10.492,696 11.379,697 12.269,698 5.6,703 1,705 2,708 1,714 2,715 6,716 1,720 7,722 17,729 1,739 3,741 71,743 19,744 2,745 40,747 74,748 28,749 15,750 6,751 6,752 1,756 4,757 7,767 4,770 7,772 17,773 11,777 2,782 2,786 2,793 34,794 9,795 3,796 9,802 4,806 1,808 0.5,809 5,822 1,829 4,833 2,859 2,864 3,868 37,876 8,877 3,878 3,893 7,896 2,898 3,901 19.167,902 13.533,903 8.528,904 4.329,907 3.288,908 1.405,909 0.963,910 9.475,911 11.414,912 3.942,913 4.511,914 5.11,915 5.684,916 6.263,917 6.555,918 6.87,919 7.081,920 7.336,921 7.181,922 0.9,923 61,924 13.729,926 5.726,927 0.026,929 7.752,931 26.251,933 21.126,936 2.252,937 83.333,941 364.904,942 151.095,943 70.573,945 83.29,948 151.095,949 448.194,950 70.573,951 32.649,952 55.746,953 56.857,954 94.373,955 65.332,957 364.904,959 364.904,960 221.668,961 83.29,964 341.362,965 106.832,968 60.647,969 126.347,970 34.674,972 364.904,973 153.862,974 151.095,977 364.904,978 61.589,979 89.507,980 53.787,981 100.075,982 364.904,983 153.862,984 151.095,986 0.565,987 0.347,988 0.196,989 0.11,990 23,991 11,992 0.149,993 11,994 2,995 1.2,996 4.776,997 338.962,998 0.2,999 20,1000 184.75,1005 27.021,1006 12.974,1007 6.461,1008 1.945,1009 153.862,1010 11.215,1011 4.83,1015 4.931,1017 53.787,1018 669.862,1019 50.5,1024 25.128,1028 -0.346,1031 71.298,1032 80.268,1034 0.251,1035 0.581,1036 0.753,1037 0.842,1038 0.875,1039 0.894,1040 5.172,1041 1.718,1042 6.061,1043 6.023,1044 4.691,1045 5.198,1046 2.596,1047 6.876,1048 4.631,1049 6.36,1050 1.525,1051 7.621,1052 4.136,1053 4.205,1054 5.075,1055 1.593,1056 7.818,1057 4.136,1058 7.67,1059 1.381,1060 9.287,1061 3.341,1062 6.279,1063 7.42,1064 3.144,1065 10.94,1066 6.17,1067 9.02,1068 1.347,1069 11.017,1070 3.329,1071 6.661,1072 8.159,1073 2.98,1074 12.734,1075 6.533,1076 10.408,1077 1.247,1078 12.788,1079 3.105,1080 8.164,1081 9.986,1082 4.066,1083 15.375,1084 8.009,1085 11.82,1086 1.1,1087 14.589,1088 2.902,1089 8.955,1090 11.118,1091 4.33,1092 17.514,1093 8.773,1094 13.253,1095 1,1096 16.409,1097 2.501,1098 10.232,1099 12.748,1100 5.191,1101 19.997,1102 10.028,1103 3.227,1104 0.658,1105 18.244,1106 2.158,1107 11.217,1108 14.069,1109 5.648,1110 22.284,1111 10.983,1112 3.093,1113 11.349,1114 20.091,1115 1.425,1116 12.408,1117 15.619,1118 6.399,1119 24.714,1120 12.152,1121 2.606,1122 10.344,1123 21.947,1124 4.564,1125 13.482,1126 17.032,1127 6.944,1128 27.067,1129 13.197,1130 2.532,1131 8.37,1132 23.811,1133 4.141,1134 14.643,1135 18.549,1136 7.64,1137 29.481,1138 14.335,1139 2.39,1140 8.294,1141 25.681,1142 3.438,1143 15.759,1144 20.008,1145 8.228,1146 31.864,1147 15.424,1148 2.121,1149 6.754,1150 27.556,1151 3.272,1152 16.911,1153 21.514,1154 8.895,1155 34.274,1156 16.553,1157 2.061,1158 6.118,1159 29.435,1160 2.924,1161 18.048,1162 22.995,1163 9.506,1164 36.673,1165 17.664,1166 23165,1167 37489,1168 26.641,1169 45.716,1170 58.07,1171 61.182,1172 61.251,1173 57.955,1174 58.141,1175 73.482,1176 11.048,1177 163.917,1178 56.215,1179 5.603,1180 5.582,1181 6.601,1182 5.249,1183 5.227,1184 7.564,1185 3.272,1186 18.88,1187 5.165,1188 19.108,1189 1.452,1190 1.53,1191 1.531,1192 1.449,1193 1.454,1194 1.837,1195 0.276,1196 4.098,1197 1.405,1198 4.113,1199 4.144,1200 4.074,1201 4.039,1202 7.431,1203 4.043,1204 3.958,1205 3.968,1206 3.925,1207 3.855,1208 7.427,1209 3.869,1210 3.748,1211 3.802,1212 3.635,1213 3.65,1214 4.987,1215 3.637,1216 3.731,1217 3.78,1218 3.612,1219 3.587,1220 4.952,1221 3.584,1222 3.528,1223 3.587,1224 3.448,1225 3.266,1226 4.58,1227 3.3,1228 3.353,1229 3.41,1230 3.242,1231 3.165,1232 4.462,1233 3.171,1234 3.303,1235 3.355,1236 3.144,1237 3.048,1238 4.42,1239 3.066,1240 3.247,1241 3.306,1242 3.117,1243 3.006,1244 4.296,1245 3.026,1246 0.116,1247 0.09,1248 0.171,1249 0.105,1250 0.081,1251 4.641,1252 0.114,1253 3.582,1254 0.047,1255 6.83,1256 0.284,1257 4.208,1258 0.079,1259 3.227,1260 4.564,1261 1.886,1262 11.349,1263 3.165,1264 2.069,1265 2.044,1266 2.155,1267 2.161,1268 1.432,1269 2.16,1270 1.889,1271 1.881,1272 1.985,1273 2.02,1274 1.295,1275 2.002,1276 1.754,1277 1.709,1278 1.949,1279 1.913,1280 1.145,1281 1.923,1282 1.723,1283 1.666,1284 1.933,1285 1.872,1286 1.079,1287 1.901,1288 1.42,1289 1.364,1290 1.635,1291 1.717,1292 0.829,1293 1.688,1294 1.29,1295 1.239,1296 1.59,1297 1.558,1298 0.757,1299 1.565,1300 1.227,1301 1.163,1302 1.571,1303 1.549,1304 0.622,1305 1.546,1306 1.212,1307 1.159,1308 1.544,1309 1.503,1310 0.584,1311 1.519,1312 4.394,1314 5.694,1316 7.206,1318 8.824,1320 10.502,1322 4.522,1328 6.27,1329 8.923,1330 15.916,1340 43.562,1341 109.443,1342 253.742,1343 328.819,1344 367.838,1345 382.103,1346 390.367,1347 82.664,1348 8.126,1349 110.81,1350 110.81,1351 24,1352 12.799,1353 4.322,1354 3.524,1355 65.493,1356 222,1357 171,1358 0.141,1359 267.667,1360 472.37,1361 644.867,1362 49434,1364 26.2,1365 0.708,1366 0.584,1367 26.2,1368 21.609,1369 18.05,1370 0.451,1371 0.315,1372 12.368,1373 17.196,1374 12.042,1375 10.043,1376 18.05,1377 12.589,1378 15.254,1379 0.282,1380 0.165,1381 15.254,1382 8.937,1383 13.237,1384 0.181,1385 0.09,1386 13.237,1387 6.539,1388 10.991,1389 0.116,1390 0.049,1391 10.991,1392 4.637,1393 9.166,1394 0.075,1395 0.027,1396 9.166,1397 3.325,1398 0.233,1399 114.569,1400 0.194,1401 34.564,1402 0.357,1403 188,1404 587.321,1405 208.28,1406 550.773,1407 747.13,1408 518,1409 221,1410 539.003,1411 242.143,1412 544.414,1413 793.57,1414 509,1415 7.77}
{0 CHEMBL219569,1 1.51,2 17.231,3 5.127,4 26.29,5 150.824,6 6.944,7 0.405,8 4.421,9 4.544,10 3.917,11 3.908,12 5.48,13 3.885,14 4.982,15 5.166,16 4.229,17 4.289,18 5.976,19 4.237,20 5.224,21 5.441,22 4.376,23 4.439,24 6.228,25 4.372,26 5.283,27 5.501,28 4.363,29 4.442,30 6.3,31 4.375,32 5.338,33 5.563,34 4.302,35 4.451,36 6.36,37 4.364,38 5.327,39 5.564,40 4.173,41 4.434,42 6.308,43 4.311,44 5.335,45 5.604,46 4.024,47 4.34,48 6.298,49 4.2,50 5.179,51 5.44,52 3.839,53 4.211,54 6.098,55 4.059,56 0.058,57 1.085,58 17.349,59 7.351,60 11.503,61 9.814,62 0.388,63 1.694,64 32.796,65 11.902,66 38.387,67 16.546,68 0.587,69 2.082,70 42.708,71 14.536,72 62.072,73 21.076,74 0.583,75 2.182,76 45.742,77 14.383,78 68.892,79 21.03,80 0.994,81 2.205,82 49.458,83 15.119,84 92.226,85 21.909,86 0.678,87 2.159,88 48.309,89 15.95,90 80.224,91 23.174,92 0.753,93 2.02,94 50.236,95 15.681,96 105.949,97 22.965,98 0.694,99 1.731,100 42.8,101 13.957,102 90.333,103 20.008,104 35,105 56,106 0.232,107 0.534,108 0.707,109 0.811,110 0.847,111 0.864,112 3.692,113 0.971,114 -3.8,115 -3.77,116 -3.58,121 39,123 9,126 3,127 1,144 6,145 3,146 4,148 2,160 2,173 1,176 14,180 8,183 2,185 5,187 13,191 2,192 11,195 1,197 9,200 8,205 1,206 7,209 1,211 9,214 8,218 2,219 4,222 3,224 9,227 13,231 1,232 4,235 1,237 5,239 13,243 1,244 8,249 1,251 13,256 7,259 1,260 1,264 13,269 4,273 1,277 12,281 3068,282 26.922,283 26.922,284 26.922,285 26.922,286 26.922,287 24.663,288 27.59,289 16.218,290 27.565,291 20.561,292 20.561,293 20.561,294 20.561,295 20.561,296 16.718,297 23.233,298 7.441,299 21.26,300 4.756,301 2.795,302 1.673,303 0.997,304 0.76,305 0.653,306 4.389,312 1,313 1443,314 4.743,318 476.794,322 371.83,325 2.509,326 40.049,329 0.75,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.71,337 85,338 672,339 4.641,340 3.582,341 6.83,342 4.208,343 3.227,344 4.564,345 1.886,346 11.349,347 3.165,348 4.454,349 3.572,350 6.547,351 4.051,352 3.093,353 4.141,354 1.058,355 10.344,356 2.971,357 3.921,358 3.35,359 5.982,360 3.589,361 2.606,362 3.438,363 0.86,364 8.37,365 2.534,366 3.915,367 3.314,368 5.955,369 3.524,370 2.532,371 3.272,372 0.86,373 8.294,374 2.512,375 3.673,376 2.666,377 5.389,378 3.399,379 2.391,380 2.924,381 0.86,382 6.754,383 2.4,384 3.488,385 2.555,386 5.19,387 3.089,388 2.121,389 2.783,391 6.118,392 2.046,393 3.355,394 2.314,395 5.021,396 2.972,397 2.061,398 2.604,400 6.023,401 1.867,402 2.946,403 2.098,404 4.341,405 2.81,406 1.823,407 2.141,409 4.154,410 1.799,411 2.937,412 1.892,413 4.116,414 2.517,415 1.535,416 2.007,418 3.504,419 1.508,420 2.754,421 1.775,422 3.906,423 2.494,424 1.515,425 1.75,427 3.329,428 1.473,429 2.601,430 1.624,431 3.818,432 2.345,433 1.347,434 1.633,436 3.307,437 1.343,438 2.488,439 1.542,440 3.66,441 2.242,442 1.247,443 1.488,445 2.902,446 1.24,447 2.313,448 1.449,449 3.594,450 2.196,451 1.23,452 1.289,454 2.685,455 1.184,456 2.146,457 1.35,458 3.562,459 1.992,460 1.061,461 1.122,463 2.374,464 0.984,465 2.117,466 1.243,467 3.302,468 1.882,469 0.953,470 1.059,472 2.037,473 0.869,474 18.267,475 0.468,476 0.708,477 0.018,478 45.5,479 1.167,480 21,481 0.538,482 24.5,483 0.628,484 40.007,485 1.026,486 44.133,487 0.573,488 37.129,489 0.952,490 8.772,491 0.225,492 10.277,493 0.264,494 0.119,496 0.301,501 0.788,502 1.302,503 0.855,504 1.208,505 0.577,506 1.062,507 1.014,508 1.122,509 0.927,510 1.011,511 0.654,512 0.965,513 0.804,514 1.15,515 0.849,516 1.01,517 0.871,518 0.944,519 1.106,520 1.189,521 1.038,522 1.08,523 1.192,524 1.04,525 1.228,526 0.997,527 1.151,528 0.973,529 1.087,530 1.031,531 1.011,532 1.112,533 1.146,534 1.138,535 1.142,536 1.157,537 1.166,538 0.886,539 1.07,540 0.929,541 1.674,542 0.973,543 1.179,544 0.868,545 1.135,546 0.96,547 1.666,548 1.034,549 6,550 0.165,551 4.222,552 2.563,553 2.484,554 1.278,555 0.709,556 0.372,557 0.246,558 0.183,559 29696,560 74886,561 2.052,562 49.4,563 12,564 17,567 3,568 4,569 2,572 1.784,573 1.934,574 3.955,575 0.748,582 116.305,583 1.51,584 3.472,585 4.594,586 5.269,587 5.507,588 5.614,589 3.268,590 4.599,591 5.267,592 4.251,593 3149.7,594 9.223,595 60907.5,600 482.543,601 1.344,602 5.222,603 0.143,604 0.006,605 0.075,606 0.041,607 0.041,608 0.023,609 0.015,610 0.009,611 0.007,612 0.006,613 0.367,614 0.33,615 0.75,616 0.8,617 226.662,618 -0.005,619 -0.036,620 0.052,621 -0.045,622 0.01,623 0.006,624 -0.03,625 -0.008,626 0.036,627 0.053,628 0.045,629 0.052,630 0.118,631 -0.085,632 0.121,633 0.01,634 0.058,635 0.058,636 -0.05,637 -0.109,638 -0.045,639 -0.099,640 -0.079,641 -0.072,642 -0.032,643 0.043,644 -0.135,645 -0.013,646 -0.025,647 -0.08,648 -0.046,649 -0.098,650 -0.166,651 -0.15,652 -0.042,653 -0.172,654 -0.112,655 0.043,656 -0.062,657 0.017,658 -0.129,659 -0.008,660 -0.12,661 0.06,662 -0.133,663 0.005,664 -0.178,665 -0.058,666 1.87,667 5.592,668 0.513,669 46.547,670 1.001,671 1.131,672 2.575,673 6.629,674 0.639,675 3.761,676 4.043,677 4.331,678 4.585,679 4.828,680 4.883,681 4.963,682 4.963,683 4.977,684 4.844,685 10.571,686 0.605,687 534.72,688 3.761,689 5.283,690 6.129,691 6.997,692 7.865,693 8.744,694 9.622,695 10.506,696 11.39,697 12.278,698 5.2,703 1,705 2,708 1,714 2,715 6,716 1,720 7,722 17,729 1,739 3,741 77,743 19,744 2,745 42,747 80,748 30,749 15,750 6,751 6,752 1,756 4,757 7,767 4,770 9,772 17,773 13,777 2,782 2,786 2,793 38,794 9,795 3,796 9,802 4,806 1,808 0.5,809 5,822 1,829 4,833 2,859 2,864 3,868 39,876 10,877 3,878 3,893 6.5,896 2,898 3,901 20.167,902 14.533,903 9.028,904 4.829,907 3.248,908 1.397,909 0.958,910 10.685,911 11.435,912 3.98,913 4.533,914 5.122,915 5.691,916 6.266,917 6.558,918 6.872,919 7.079,920 7.335,921 7.181,922 0.909,923 63,924 14.483,926 6.007,927 0.026,929 7.714,931 27.884,933 22.459,936 2.214,937 86.333,941 411.989,942 156.164,943 70.573,945 83.29,948 156.164,949 495.278,950 70.573,951 32.649,952 60.815,953 56.857,954 94.373,955 65.332,957 411.989,959 411.989,960 226.737,961 83.29,964 388.446,965 106.832,968 65.716,969 126.347,970 34.674,972 411.989,973 153.862,974 156.164,977 411.989,978 66.658,979 89.507,980 53.787,981 100.075,982 411.989,983 153.862,984 156.164,986 0.561,987 0.342,988 0.192,989 0.108,990 23,991 11,992 0.163,993 13,994 2,995 1.2,996 5.01,997 356.033,998 0.2,999 20,1000 196.131,1005 28.969,1006 14.385,1007 7.341,1008 1.985,1009 153.862,1010 11.323,1011 4.844,1015 5.092,1017 53.787,1018 722.015,1019 52.5,1024 25.122,1028 -0.235,1031 77.065,1032 87.099,1034 0.241,1035 0.554,1036 0.733,1037 0.841,1038 0.879,1039 0.896,1040 5.205,1041 1.823,1042 6.089,1043 6.023,1044 4.727,1045 5.22,1046 2.596,1047 6.893,1048 4.669,1049 6.384,1050 1.535,1051 7.641,1052 4.154,1053 4.205,1054 5.075,1055 1.593,1056 7.818,1057 4.136,1058 7.687,1059 1.515,1060 9.3,1061 3.504,1062 6.301,1063 7.427,1064 3.144,1065 10.944,1066 6.195,1067 9.033,1068 1.347,1069 11.025,1070 3.329,1071 6.661,1072 8.159,1073 2.98,1074 12.734,1075 6.533,1076 10.416,1077 1.247,1078 12.794,1079 3.307,1080 8.175,1081 9.988,1082 4.066,1083 15.375,1084 8.023,1085 11.826,1086 1.23,1087 14.592,1088 2.902,1089 8.955,1090 11.118,1091 4.33,1092 17.514,1093 8.773,1094 13.257,1095 1.061,1096 16.411,1097 2.685,1098 10.237,1099 12.748,1100 5.191,1101 19.997,1102 10.035,1103 3.227,1104 0.953,1105 18.246,1106 2.374,1107 11.217,1108 14.069,1109 5.648,1110 22.284,1111 10.983,1112 3.093,1113 11.349,1114 20.092,1115 2.037,1116 12.41,1117 15.619,1118 6.399,1119 24.714,1120 12.154,1121 2.606,1122 10.344,1123 21.948,1124 4.564,1125 13.482,1126 17.032,1127 6.944,1128 27.067,1129 13.197,1130 2.532,1131 8.37,1132 23.811,1133 4.141,1134 14.644,1135 18.549,1136 7.64,1137 29.481,1138 14.336,1139 2.391,1140 8.294,1141 25.681,1142 3.438,1143 15.759,1144 20.008,1145 8.228,1146 31.864,1147 15.424,1148 2.121,1149 6.754,1150 27.556,1151 3.272,1152 16.912,1153 21.514,1154 8.895,1155 34.274,1156 16.554,1157 2.061,1158 6.118,1159 29.436,1160 2.924,1161 18.048,1162 22.995,1163 9.506,1164 36.673,1165 17.664,1166 28271,1167 45059,1168 28.027,1169 49.239,1170 60.594,1171 63.698,1172 63.801,1173 60.505,1174 60.684,1175 76.023,1176 11.048,1177 169.004,1178 58.758,1179 5.611,1180 5.582,1181 6.694,1182 5.249,1183 5.227,1184 7.564,1185 3.272,1186 18.88,1187 5.165,1188 20.004,1189 1.443,1190 1.517,1191 1.519,1192 1.441,1193 1.445,1194 1.81,1195 0.263,1196 4.024,1197 1.399,1198 4.114,1199 4.145,1200 4.075,1201 4.039,1202 7.431,1203 4.044,1204 3.959,1205 3.97,1206 3.925,1207 3.856,1208 7.427,1209 3.87,1210 3.78,1211 3.835,1212 3.65,1213 3.653,1214 4.987,1215 3.64,1216 3.732,1217 3.781,1218 3.615,1219 3.639,1220 4.952,1221 3.627,1222 3.608,1223 3.668,1224 3.504,1225 3.396,1226 4.58,1227 3.408,1228 3.426,1229 3.484,1230 3.331,1231 3.19,1232 4.462,1233 3.21,1234 3.303,1235 3.357,1236 3.169,1237 3.129,1238 4.42,1239 3.141,1240 3.299,1241 3.355,1242 3.144,1243 3.006,1244 4.296,1245 3.026,1246 0.11,1247 0.085,1248 0.163,1249 0.1,1250 0.077,1251 4.641,1252 0.109,1253 3.582,1254 0.045,1255 6.83,1256 0.27,1257 4.208,1258 0.075,1259 3.227,1260 4.564,1261 1.886,1262 11.349,1263 3.165,1264 2.069,1265 2.044,1266 2.155,1267 2.161,1268 1.432,1269 2.16,1270 1.889,1271 1.882,1272 2.025,1273 2.02,1274 1.371,1275 2.008,1276 1.774,1277 1.716,1278 1.951,1279 1.943,1280 1.145,1281 1.959,1282 1.754,1283 1.709,1284 1.949,1285 1.872,1286 1.103,1287 1.902,1288 1.551,1289 1.491,1290 1.791,1291 1.793,1292 1.057,1293 1.788,1294 1.332,1295 1.276,1296 1.59,1297 1.62,1298 0.758,1299 1.6,1300 1.264,1301 1.218,1302 1.577,1303 1.558,1304 0.697,1305 1.565,1306 1.227,1307 1.163,1308 1.56,1309 1.517,1310 0.62,1311 1.533,1312 4.443,1314 5.733,1316 7.235,1318 8.844,1320 10.516,1322 4.558,1328 8.651,1329 9.047,1330 15.945,1340 46.615,1341 116.305,1342 267.357,1343 353.709,1344 405.749,1345 424.013,1346 432.278,1347 90.137,1348 8.187,1349 110.81,1350 110.81,1351 24,1352 12.81,1353 4.322,1354 3.524,1355 71.286,1356 260,1357 194,1358 0.13,1359 286.852,1360 506.97,1361 691.678,1362 56142,1364 27.614,1365 0.708,1366 0.59,1367 27.614,1368 23.024,1369 19.05,1370 0.454,1371 0.324,1372 13.368,1373 18.196,1374 13.023,1375 10.877,1376 19.05,1377 13.589,1378 15.962,1379 0.285,1380 0.172,1381 15.962,1382 9.644,1383 13.737,1384 0.183,1385 0.094,1386 13.737,1387 7.039,1388 11.345,1389 0.117,1390 0.051,1391 11.345,1392 4.99,1393 9.416,1394 0.076,1395 0.029,1396 9.416,1397 3.564,1398 0.218,1399 120.569,1400 0.189,1401 36.429,1402 0.322,1403 196,1404 595.321,1405 216.28,1406 559.096,1407 758.65,1408 526,1409 229,1410 547.003,1411 250.143,1412 552.737,1413 805.09,1414 517,1415 8.248}
{0 CHEMBL219911,1 1.509,2 12.25,3 4.621,4 21.35,5 123.913,6 7.14,7 0.486,8 4.203,9 4.318,10 3.733,11 3.709,12 5.28,13 3.692,14 4.752,15 4.925,16 4.058,17 4.09,18 5.75,19 4.052,20 4.961,21 5.15,22 4.211,23 4.247,24 5.989,25 4.193,26 5.04,27 5.239,28 4.192,29 4.261,30 6.052,31 4.199,32 5.121,33 5.336,34 4.105,35 4.266,36 6.092,37 4.187,38 5.105,39 5.326,40 3.961,41 4.236,42 6.068,43 4.119,44 5.118,45 5.398,46 3.869,47 4.131,48 6.092,49 3.978,50 4.927,51 5.205,52 3.691,53 3.942,54 5.89,55 3.797,56 0.052,57 0.856,58 13.301,59 5.876,60 10.047,61 7.577,62 0.31,63 1.346,64 25.444,65 9.515,66 29.393,67 12.691,68 0.493,69 1.663,70 31.651,71 11.408,72 45.17,73 15.869,74 0.428,75 1.789,76 34.571,77 11.709,78 46.29,79 16.469,80 0.61,81 1.83,82 39.058,83 12.417,84 54.981,85 17.141,86 0.476,87 1.772,88 38.114,89 12.992,90 52.861,91 18.048,92 0.734,93 1.668,94 40.574,95 13.703,96 83.429,97 20.072,98 0.623,99 1.365,100 33.7,101 11.254,102 70.455,103 16.346,104 26,105 48,106 0.243,107 0.551,108 0.704,109 0.8,110 0.823,111 0.845,112 3.502,113 0.933,114 -3.97,115 -3.92,116 -3.72,121 41,123 6,126 3,144 6,145 3,146 4,148 2,160 1,173 1,176 12,180 7,183 1,185 3,187 13,191 2,192 9,195 1,197 6,200 8,205 1,206 8,209 1,211 8,214 6,219 7,222 1,224 9,227 10,232 3,237 4,239 10,243 3,244 5,247 2,251 10,255 1,256 3,259 3,264 12,269 1,272 1,277 10,281 1672,282 22.179,283 22.179,284 22.179,285 22.179,286 22.179,287 20.012,288 23.721,289 13.086,290 22.782,291 17.1,292 17.1,293 17.1,294 17.1,295 17.1,296 13.463,297 21.414,298 5.928,299 17.763,300 4.422,301 2.517,302 1.566,303 0.972,304 0.828,305 0.693,306 4.201,311 1,312 1,313 848,314 3.808,318 335.576,322 261.209,325 1.719,326 28.614,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 69.5,338 392,339 4.641,340 3.577,341 6.83,342 4.208,343 3.227,344 4.564,345 1.886,346 11.349,347 3.165,348 4.42,349 3.375,350 6.523,351 4.009,352 3.061,353 4.104,354 0.86,355 10.257,356 2.899,357 3.915,358 3.35,359 5.982,360 3.524,361 2.532,362 3.438,363 0.86,364 8.37,365 2.512,366 3.706,367 2.666,368 5.391,369 3.437,370 2.435,371 2.954,372 0.86,373 6.858,374 2.427,375 3.536,376 2.564,377 5.316,378 3.185,379 2.211,380 2.885,382 6.721,383 2.148,384 3.459,385 2.555,386 5.19,387 3.058,388 2.077,389 2.723,391 6.118,392 2.024,393 3.355,394 2.314,395 4.978,396 2.972,397 2.061,398 2.604,400 5.9,401 1.867,402 2.937,403 1.964,404 4.116,405 2.514,406 1.524,407 2.141,409 3.329,410 1.506,411 2.601,412 1.623,413 3.898,414 2.345,415 1.347,416 1.635,418 3.321,419 1.343,420 2.488,421 1.449,422 3.8,423 2.242,424 1.247,425 1.488,427 2.902,428 1.24,429 2.239,430 1.35,431 3.594,432 2.076,433 1.182,434 1.227,436 2.647,437 1.064,438 2.147,439 1.244,440 3.567,441 1.974,442 1.047,443 1.12,445 2.399,446 0.95,447 1.797,448 1.144,449 3.181,450 1.616,451 0.644,452 0.718,454 1.446,455 0.622,456 1.636,457 0.95,458 2.898,459 1.331,460 0.396,461 0.452,463 0.736,464 0.342,465 1.576,466 0.916,467 2.859,468 1.27,469 0.361,470 0.419,472 0.603,473 0.338,474 15.033,475 0.47,476 0.619,477 0.019,478 39.75,479 1.242,480 19.5,481 0.609,482 20.25,483 0.633,484 29.733,485 0.929,486 35.367,487 0.58,488 30.916,489 0.966,490 7.852,491 0.245,492 7.787,493 0.243,494 0.122,496 0.333,501 0.807,502 1.222,503 0.818,504 1.156,505 0.62,506 1.011,507 1.141,508 1.044,509 0.891,510 0.912,511 0.765,512 0.871,513 0.815,514 1.178,515 0.887,516 1.029,517 0.97,518 0.976,519 1.016,520 1.243,521 1.056,522 1.139,523 1.042,524 1.097,525 1.47,526 1.03,527 1.225,528 0.986,529 1.063,530 1.045,531 1.245,532 1.162,533 1.27,534 1.183,535 1.391,536 1.22,537 0.598,538 0.889,539 0.837,540 0.937,541 1.164,542 0.931,543 0.74,544 0.834,545 0.835,546 0.859,547 1.503,548 0.871,549 5.5,550 0.14,551 3.556,552 2.313,553 2.284,554 0.938,555 0.648,556 0.399,557 0.221,558 0.151,559 14653,560 36668,561 2.082,562 47.5,563 8,564 15,567 2,568 4,572 1.743,573 1.959,574 3.522,575 0.177,582 92.042,583 1.509,584 3.414,585 4.364,586 4.959,587 5.102,588 5.238,589 2.815,590 4.101,591 4.979,592 3.753,593 1861.59,594 8.694,595 28134.9,597 1,600 361.775,601 1.366,602 4.936,603 0.157,604 0.005,605 0.074,606 0.043,607 0.045,608 0.02,609 0.017,610 0.012,611 0.008,612 0.006,613 0.386,614 0.33,615 1,616 0.851,617 169.428,618 0.006,619 -0.014,620 0.062,621 -0.046,622 0.012,623 0.008,624 -0.082,625 0.036,626 0.065,627 0.125,628 0.006,629 0.117,630 0.137,631 -0.095,632 0.065,633 -0.014,634 0.03,635 0.008,636 -0.021,637 -0.147,638 -0.09,639 -0.161,640 -0.058,641 -0.137,642 -0.244,643 0.009,644 -0.216,645 -0.035,646 -0.12,647 -0.107,648 -0.194,649 -0.154,650 -0.287,651 -0.206,652 -0.171,653 -0.252,654 0.261,655 0.012,656 0.16,657 0.024,658 0.231,659 0.066,660 0.194,661 0.057,662 0.172,663 0.099,664 0.113,665 0.122,666 1.76,667 5.649,668 0.625,669 29.156,670 1.002,671 1.127,672 2.738,673 7.496,674 0.651,675 3.584,676 3.892,677 4.205,678 4.489,679 4.745,680 4.787,681 4.89,682 4.942,683 4.99,684 4.875,685 7.558,686 0.619,687 435.57,688 3.584,689 5.118,690 5.979,691 6.862,692 7.742,693 8.632,694 9.519,695 10.411,696 11.301,697 12.195,698 4.9,703 1,705 1,708 1,714 2,715 6,716 1,720 7,722 17,739 3,741 61,743 18,744 2,745 35,747 64,748 25,749 15,750 6,751 6,756 4,757 7,767 4,770 6,772 16,773 9,777 1,782 1,786 1,790 1,793 29,794 7,795 2,796 7,802 3,806 1,808 0.5,809 4,822 1,829 4,833 2,859 2,864 3,868 32,876 6,877 2,878 3,893 6.6,896 1,898 3,901 16.333,902 11.867,903 7.333,904 3.663,907 3.388,908 1.426,909 0.974,910 7.254,911 11.349,912 3.818,913 4.419,914 5.035,915 5.632,916 6.215,917 6.494,918 6.817,919 7.093,920 7.383,921 7.243,922 0.875,923 54,924 11.842,926 4.936,927 0.026,929 7.661,931 22.833,933 18.526,936 2.161,937 69.167,940 1,941 317.82,942 141.751,943 52.562,945 58.145,948 141.751,949 375.964,950 52.562,951 32.649,952 33.095,953 56.857,954 64.523,955 65.332,957 317.82,959 317.82,960 194.313,961 58.145,964 317.82,965 58.145,968 37.996,969 121.642,970 34.674,972 317.82,973 110.707,974 141.751,977 317.82,978 52.244,979 89.507,980 35.776,981 74.93,982 317.82,983 110.707,984 141.751,986 0.567,987 0.352,988 0.204,989 0.116,990 22,991 10,992 0.125,993 8,994 2,995 1.2,996 4.278,997 290.356,998 0.2,999 20,1000 150,1005 22.529,1006 10.303,1007 4.907,1008 1.973,1009 110.707,1010 11.786,1011 4.84,1015 5.932,1017 35.776,1018 570.277,1019 44.5,1024 12.649,1028 -0.093,1031 61.101,1032 68.73,1034 0.254,1035 0.576,1036 0.736,1037 0.836,1038 0.86,1039 0.883,1040 5.051,1041 1.524,1042 5.953,1043 5.9,1044 4.575,1045 5.106,1046 2.413,1047 6.781,1048 4.509,1049 6.251,1050 1.347,1051 7.519,1052 3.329,1053 4.111,1054 4.997,1055 1.593,1056 7.735,1057 4.027,1058 7.567,1059 1.247,1060 9.188,1061 3.321,1062 6.176,1063 7.355,1064 3.03,1065 10.857,1066 6.058,1067 8.924,1068 1.182,1069 10.92,1070 2.902,1071 6.567,1072 8.092,1073 2.98,1074 12.656,1075 6.416,1076 10.316,1077 1.047,1078 12.692,1079 2.647,1080 8.069,1081 9.933,1082 4.017,1083 15.302,1084 7.897,1085 11.732,1086 0.644,1087 14.493,1088 2.399,1089 8.864,1090 11.063,1091 4.33,1092 17.448,1093 8.653,1094 13.167,1095 0.396,1096 16.314,1097 1.446,1098 10.143,1099 12.702,1100 5.173,1101 19.937,1102 9.914,1103 3.227,1104 0.361,1105 18.151,1106 0.736,1107 11.132,1108 14.024,1109 5.648,1110 22.231,1111 10.865,1112 3.061,1113 11.349,1114 20,1115 0.603,1116 12.325,1117 15.579,1118 6.393,1119 24.666,1120 12.038,1121 2.532,1122 10.257,1123 21.858,1124 4.564,1125 13.403,1126 16.994,1127 6.944,1128 27.024,1129 13.082,1130 2.435,1131 8.37,1132 23.725,1133 4.104,1134 14.566,1135 18.515,1136 7.638,1137 29.442,1138 14.223,1139 2.211,1140 6.858,1141 25.598,1142 3.438,1143 15.685,1144 19.975,1145 8.228,1146 31.828,1147 15.313,1148 2.077,1149 6.721,1150 27.476,1151 2.954,1152 16.839,1153 21.484,1154 8.895,1155 34.241,1156 16.445,1157 2.061,1158 6.118,1159 29.36,1160 2.885,1161 17.977,1162 22.967,1163 9.506,1164 36.642,1165 17.557,1166 13993,1167 22267,1168 23.463,1169 39.733,1170 51.001,1171 53.255,1172 53.961,1173 51.074,1174 51.224,1175 65.522,1176 8.932,1177 146.642,1178 49.354,1179 5.589,1180 5.577,1181 6.515,1182 5.249,1183 5.227,1184 7.564,1185 3.272,1186 18.88,1187 5.165,1188 15.322,1189 1.457,1190 1.522,1191 1.542,1192 1.459,1193 1.464,1194 1.872,1195 0.255,1196 4.19,1197 1.41,1198 4.113,1199 4.144,1200 4.074,1201 4.039,1202 7.429,1203 4.043,1204 3.956,1205 3.968,1206 3.913,1207 3.866,1208 4.99,1209 3.874,1210 3.732,1211 3.781,1212 3.618,1213 3.65,1214 4.955,1215 3.636,1216 3.628,1217 3.672,1218 3.547,1219 3.416,1220 4.58,1221 3.437,1222 3.337,1223 3.405,1224 3.213,1225 3.172,1226 4.464,1227 3.169,1228 3.303,1229 3.355,1230 3.144,1231 3.006,1232 4.42,1233 3.026,1234 3.237,1235 3.3,1236 3.1,1237 3.003,1238 4.296,1239 3.022,1240 3.195,1241 3.267,1242 3.01,1243 2.961,1244 4.21,1245 2.96,1246 0.133,1247 0.102,1248 0.195,1249 0.12,1250 0.092,1251 4.641,1252 0.13,1253 3.577,1254 0.054,1255 6.83,1256 0.324,1257 4.208,1258 0.09,1259 3.227,1260 4.564,1261 1.886,1262 11.349,1263 3.165,1264 2.069,1265 2.044,1266 2.155,1267 2.161,1268 1.432,1269 2.16,1270 1.908,1271 1.895,1272 2.012,1273 2.024,1274 1.242,1275 2.017,1276 1.754,1277 1.709,1278 1.949,1279 1.872,1280 1.145,1281 1.902,1282 1.545,1283 1.505,1284 1.736,1285 1.793,1286 0.9,1287 1.77,1288 1.299,1289 1.242,1290 1.59,1291 1.558,1292 0.757,1293 1.565,1294 1.227,1295 1.163,1296 1.57,1297 1.547,1298 0.623,1299 1.547,1300 1.187,1301 1.121,1302 1.531,1303 1.502,1304 0.584,1305 1.521,1306 1.153,1307 1.07,1308 1.48,1309 1.405,1310 0.572,1311 1.432,1312 4.263,1314 5.572,1316 7.099,1318 8.732,1320 10.423,1322 4.732,1328 5.09,1329 6.094,1330 16.165,1340 37.772,1341 92.042,1342 208.252,1343 266.226,1344 302.491,1345 311.246,1346 319.51,1347 57.368,1348 7.961,1349 81.71,1350 81.71,1351 24,1352 12.722,1353 4.248,1354 3.392,1355 52.041,1356 150,1357 126,1358 0.169,1359 231.027,1360 403.32,1361 555.465,1362 36209,1364 22.501,1365 0.703,1366 0.587,1367 22.501,1368 18.787,1369 15.639,1370 0.447,1371 0.311,1372 10.698,1373 14.923,1374 10.38,1375 8.651,1376 15.639,1377 10.885,1378 13.322,1379 0.278,1380 0.163,1381 13.322,1382 7.843,1383 11.705,1384 0.177,1385 0.089,1386 11.705,1387 5.861,1388 9.99,1389 0.114,1390 0.048,1391 9.99,1392 4.248,1393 8.499,1394 0.075,1395 0.028,1396 8.499,1397 3.137,1398 0.271,1399 99.073,1400 0.206,1401 30.035,1402 0.45,1403 166,1404 497.253,1405 182.345,1406 467.921,1407 642.37,1408 442,1409 197,1410 469.676,1411 214.484,1412 476.392,1413 694.69,1414 445,1415 6.438}
{0 CHEMBL220141,1 1.541,2 15.514,3 3.929,4 15.434,5 141.416,6 7.136,7 0.425,8 4.349,9 4.468,10 3.87,11 3.835,12 5.435,13 3.82,14 4.901,15 5.08,16 4.189,17 4.213,18 5.925,19 4.173,20 5.128,21 5.328,22 4.327,23 4.365,24 6.173,25 4.311,26 5.192,27 5.396,28 4.314,29 4.38,30 6.246,31 4.317,32 5.265,33 5.483,34 4.233,35 4.387,36 6.259,37 4.308,38 5.254,39 5.481,40 4.132,41 4.363,42 6.302,43 4.251,44 5.261,45 5.534,46 4.033,47 4.272,48 6.266,49 4.127,50 5.106,51 5.38,52 3.866,53 4.09,54 6.093,55 3.959,56 0.077,57 1.008,58 15.527,59 6.671,60 10.249,61 8.749,62 0.418,63 1.568,64 29.731,65 10.763,66 37.743,67 14.715,68 0.648,69 1.921,70 38.157,71 12.93,72 62.314,73 18.334,74 0.656,75 2.028,76 40.914,77 13.334,78 69.016,79 18.932,80 0.786,81 2.062,82 45.417,83 14.145,84 70.812,85 19.829,86 0.731,87 2.006,88 44.695,89 14.75,90 92.388,91 20.981,92 0.903,93 1.883,94 46.789,95 15.335,96 104.901,97 22.626,98 0.678,99 1.61,100 40.286,101 12.484,102 87.171,103 18.513,104 35,105 54,106 0.241,107 0.548,108 0.721,109 0.822,110 0.841,111 0.859,112 3.641,113 0.941,114 -3.42,115 -3.4,116 -3.25,121 39.4,123 7,126 3,127 1,144 6,145 3,146 4,148 2,160 2,173 1,176 12,180 8,183 2,185 5,187 13,191 2,192 9,195 1,197 6,200 8,205 1,206 9,209 2,210 1,211 7,214 7,219 7,222 1,223 1,224 8,227 11,231 1,232 4,235 1,237 3,239 9,243 3,244 6,247 3,249 4,251 8,255 1,256 3,259 1,261 4,264 2,269 6,272 1,274 7,277 2,281 2624,282 25.455,283 25.455,284 25.455,285 25.455,286 25.455,287 23.134,288 28.36,289 15.145,290 26.095,291 19.566,292 19.566,293 19.566,294 19.566,295 19.566,296 15.628,297 25.77,298 6.918,299 20.26,300 4.608,301 2.644,302 1.532,303 0.891,304 0.768,305 0.652,306 4.338,312 1,313 1235,314 4.528,318 434.138,322 337.84,325 2.308,326 39.065,329 0.75,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.71,337 81,338 574,339 4.641,340 3.594,341 6.83,342 4.208,343 3.227,344 4.564,345 1.907,346 11.349,347 3.165,348 4.42,349 3.557,350 6.523,351 4.009,352 3.061,353 4.104,354 1.886,355 10.257,356 2.899,357 3.915,358 3.375,359 5.982,360 3.524,361 2.532,362 3.438,363 0.86,364 8.37,365 2.512,366 3.719,367 3.35,368 5.389,369 3.458,370 2.458,371 2.944,372 0.86,373 6.837,374 2.447,375 3.652,376 2.666,377 5.321,378 3.364,379 2.36,380 2.919,381 0.86,382 6.754,383 2.359,384 3.504,385 2.564,386 5.19,387 3.15,388 2.167,389 2.798,390 0.149,391 6.118,392 2.122,393 3.478,394 2.555,395 5.049,396 3.078,397 2.102,398 2.724,400 6.102,401 2.039,402 3.355,403 2.314,404 4.957,405 2.972,406 2.061,407 2.604,409 5.863,410 1.867,411 2.937,412 1.964,413 4.116,414 2.514,415 1.525,416 2.141,418 3.329,419 1.507,420 2.602,421 1.643,422 3.897,423 2.345,424 1.347,425 1.636,427 3.327,428 1.343,429 2.489,430 1.621,431 3.807,432 2.242,433 1.247,434 1.488,436 2.902,437 1.24,438 2.29,439 1.449,440 3.594,441 2.197,442 1.237,443 1.276,445 2.755,446 1.186,447 2.215,448 1.35,449 3.58,450 2.01,451 1.149,452 1.195,454 2.501,455 0.983,456 2.103,457 1.242,458 3.389,459 1.916,460 0.943,461 1.041,463 2.165,464 0.907,465 1.758,466 1.148,467 3.06,468 1.557,469 0.577,470 0.642,472 1.245,473 0.559,474 17.267,475 0.467,476 0.725,477 0.02,478 44.5,479 1.203,480 21,481 0.568,482 23.5,483 0.635,484 36.076,485 0.975,486 41.533,487 0.585,488 36.753,489 0.993,490 8.864,491 0.24,492 9.169,493 0.248,494 0.125,496 0.319,501 0.792,502 1.289,503 0.827,504 1.188,505 0.58,506 1.034,507 1.031,508 1.094,509 0.901,510 0.969,511 0.674,512 0.922,513 0.908,514 1.145,515 0.923,516 1.01,517 1.056,518 0.969,519 1.048,520 1.176,521 1.077,522 1.119,523 1.133,524 1.096,525 1.387,526 0.998,527 1.198,528 0.988,529 1.053,530 1.043,531 1.074,532 1.118,533 1.18,534 1.151,535 1.02,536 1.178,537 0.649,538 0.931,539 0.866,540 0.976,541 1.098,542 0.969,543 0.914,544 0.978,545 0.918,546 0.945,547 1.402,548 0.936,549 6.5,550 0.223,551 4,552 2.563,553 2.364,554 1.104,555 0.771,556 0.431,557 0.295,558 0.183,559 24218,560 62616,561 2.054,562 47.9,563 8,564 17,567 3,568 6,572 1.774,573 1.93,574 3.826,575 0.782,582 109.443,583 1.541,584 3.505,585 4.618,586 5.258,587 5.382,588 5.498,589 3.137,590 4.54,591 5.189,592 4.105,593 2734.02,594 9.086,595 48903.5,600 436.632,601 1.374,602 5.143,603 0.162,604 0.007,605 0.074,606 0.043,607 0.041,608 0.021,609 0.017,610 0.011,611 0.009,612 0.006,613 0.392,614 0.33,615 0.75,616 0.825,617 209.379,618 -0.014,619 -0.037,620 0.052,621 -0.047,622 -0.002,623 0.006,624 -0.043,625 0.012,626 0.049,627 0.082,628 0.024,629 0.079,630 0.061,631 -0.063,632 0.04,633 0.006,634 -0.042,635 0.018,636 -0.025,637 -0.085,638 -0.103,639 -0.13,640 -0.081,641 -0.13,642 -0.219,643 0.033,644 -0.193,645 -0.025,646 -0.113,647 -0.092,648 -0.072,649 -0.114,650 -0.199,651 -0.164,652 0.038,653 -0.197,654 0.222,655 -0.027,656 0.125,657 -0.007,658 0.132,659 0.031,660 0.048,661 -0.073,662 0.09,663 0.003,665 0.045,666 1.865,667 5.503,668 0.541,669 41.43,670 1.004,671 1.131,672 2.186,673 4.78,674 0.644,675 3.714,676 4.007,677 4.29,678 4.554,679 4.796,680 4.844,681 4.934,682 4.977,683 5.017,684 4.868,685 9.511,686 0.614,687 506.66,688 3.714,689 5.242,690 6.089,691 6.961,692 7.829,693 8.71,694 9.587,695 10.472,696 11.354,697 12.242,698 5.6,703 1,705 2,708 1,714 2,715 6,716 1,720 7,722 17,739 3,741 71,743 19,744 2,745 40,747 74,748 28,749 15,750 6,751 6,756 4,757 7,767 4,770 7,772 17,773 11,777 2,782 2,786 2,793 34,794 9,795 3,796 9,802 4,806 1,808 0.5,809 5,822 1,829 4,833 2,843 1,859 2,864 3,868 37,876 8,877 3,878 3,893 7,896 2,898 3,901 19.167,902 13.533,903 8.5,904 4.267,907 3.288,908 1.405,909 0.963,910 9.475,911 11.414,912 3.942,913 4.511,914 5.086,915 5.66,916 6.231,917 6.512,918 6.826,919 7.096,920 7.38,921 7.207,922 0.9,923 60,924 13.727,926 5.718,927 0.026,929 7.752,931 26.251,933 21.124,936 2.252,937 83.333,941 364.904,942 151.095,943 70.573,945 83.29,948 151.095,949 448.194,950 70.573,951 32.649,952 55.746,953 56.857,954 94.373,955 65.332,957 364.904,959 364.904,960 221.668,961 83.29,964 364.904,965 83.29,968 60.647,969 126.347,970 34.674,972 364.904,973 153.862,974 151.095,977 364.904,978 61.589,979 89.507,980 53.787,981 100.075,982 364.904,983 153.862,984 151.095,986 0.565,987 0.343,988 0.193,989 0.108,990 23,991 11,992 0.149,993 11,994 2,995 1.2,996 4.783,997 338.469,998 0.2,999 20,1000 184.75,1005 27.021,1006 12.974,1007 6.65,1008 1.905,1009 153.862,1010 11.604,1011 4.819,1015 5.682,1017 53.787,1018 669.862,1019 50.5,1024 24.866,1028 -0.334,1031 71.298,1032 80.268,1034 0.251,1035 0.57,1036 0.751,1037 0.855,1038 0.875,1039 0.894,1040 5.172,1041 2.061,1042 6.057,1043 6.102,1044 4.691,1045 5.198,1046 2.846,1047 6.862,1048 4.631,1049 6.36,1050 1.525,1051 7.609,1052 5.863,1053 4.205,1054 5.075,1055 2.179,1056 7.781,1057 4.136,1058 7.668,1059 1.347,1060 9.265,1061 3.329,1062 6.271,1063 7.41,1064 3.636,1065 10.895,1066 6.161,1067 9.014,1068 1.247,1069 10.984,1070 3.327,1071 6.635,1072 8.134,1073 3.675,1074 12.675,1075 6.5,1076 10.396,1077 1.237,1078 12.745,1079 2.902,1080 8.138,1081 9.962,1082 4.711,1083 15.316,1084 7.976,1085 11.802,1086 1.149,1087 14.536,1088 2.755,1089 8.91,1090 11.083,1091 5.057,1092 17.455,1093 8.714,1094 13.227,1095 0.943,1096 16.349,1097 2.501,1098 10.188,1099 12.716,1100 5.903,1101 19.942,1102 9.969,1103 3.227,1104 0.577,1105 18.178,1106 2.165,1107 11.162,1108 14.033,1109 6.392,1110 22.233,1111 10.906,1112 3.061,1113 11.349,1114 20.021,1115 1.245,1116 12.353,1117 15.585,1118 7.141,1119 24.668,1120 12.074,1121 2.532,1122 10.257,1123 21.875,1124 4.564,1125 13.422,1126 16.998,1127 7.701,1128 27.025,1129 13.109,1130 2.458,1131 8.37,1132 23.738,1133 4.104,1134 14.582,1135 18.518,1136 8.4,1137 29.442,1138 14.246,1139 2.36,1140 6.837,1141 25.608,1142 3.438,1143 15.696,1144 19.977,1145 8.997,1146 31.828,1147 15.33,1148 2.167,1149 6.754,1150 27.484,1151 2.944,1152 16.849,1153 21.485,1154 9.669,1155 34.241,1156 16.459,1157 2.102,1158 6.118,1159 29.366,1160 2.919,1161 17.984,1162 22.967,1163 10.286,1164 36.642,1165 17.568,1166 23084,1167 37261,1168 26.641,1169 45.716,1170 57.958,1171 60.956,1172 61.062,1173 57.923,1174 58.114,1175 73.461,1176 13.044,1177 163.396,1178 56.19,1179 5.602,1180 5.594,1181 6.515,1182 5.249,1183 5.227,1184 7.564,1185 3.306,1186 18.88,1187 5.165,1188 19.106,1189 1.449,1190 1.524,1191 1.527,1192 1.448,1193 1.453,1194 1.837,1195 0.326,1196 4.085,1197 1.405,1198 4.113,1199 4.144,1200 4.074,1201 4.039,1202 7.431,1203 4.043,1204 3.96,1205 3.974,1206 3.915,1207 3.869,1208 7.426,1209 3.876,1210 3.736,1211 3.784,1212 3.645,1213 3.65,1214 4.99,1215 3.636,1216 3.728,1217 3.779,1218 3.615,1219 3.522,1220 4.956,1221 3.541,1222 3.559,1223 3.603,1224 3.474,1225 3.354,1226 4.58,1227 3.37,1228 3.337,1229 3.412,1230 3.205,1231 3.171,1232 4.464,1233 3.168,1234 3.303,1235 3.355,1236 3.144,1237 3.006,1238 4.42,1239 3.026,1240 3.246,1241 3.304,1242 3.119,1243 2.999,1244 4.297,1245 3.025,1246 0.116,1247 0.09,1248 0.171,1249 0.105,1250 0.081,1251 4.641,1252 0.114,1253 3.594,1254 0.048,1255 6.83,1256 0.284,1257 4.208,1258 0.079,1259 3.227,1260 4.564,1261 1.907,1262 11.349,1263 3.165,1264 2.069,1265 2.044,1266 2.154,1267 2.161,1268 1.432,1269 2.16,1270 1.909,1271 1.896,1272 2.014,1273 2.027,1274 1.246,1275 2.02,1276 1.754,1277 1.709,1278 1.949,1279 1.895,1280 1.146,1281 1.902,1282 1.656,1283 1.604,1284 1.854,1285 1.872,1286 1.089,1287 1.88,1288 1.488,1289 1.446,1290 1.706,1291 1.73,1292 0.892,1293 1.715,1294 1.298,1295 1.239,1296 1.59,1297 1.558,1298 0.757,1299 1.565,1300 1.227,1301 1.163,1302 1.57,1303 1.549,1304 0.623,1305 1.545,1306 1.189,1307 1.125,1308 1.518,1309 1.505,1310 0.584,1311 1.524,1312 4.394,1314 5.694,1316 7.201,1318 8.813,1320 10.485,1322 4.658,1328 5.3,1329 8.763,1330 16.07,1340 43.562,1341 109.443,1342 248.887,1343 327.864,1344 373.348,1345 382.103,1346 390.367,1347 82.161,1348 8.126,1349 110.81,1350 110.81,1351 24,1352 12.773,1353 4.322,1354 3.524,1355 65.443,1356 220,1357 175,1358 0.142,1359 267.667,1360 472.37,1361 644.867,1362 49324,1364 26.2,1365 0.708,1366 0.584,1367 26.2,1368 21.609,1369 18.033,1370 0.451,1371 0.314,1372 12.325,1373 17.174,1374 11.991,1375 9.974,1376 18.033,1377 12.546,1378 15.358,1379 0.284,1380 0.166,1381 15.358,1382 8.943,1383 13.099,1384 0.182,1385 0.091,1386 13.099,1387 6.536,1388 10.949,1389 0.116,1390 0.049,1391 10.949,1392 4.651,1393 9.106,1394 0.076,1395 0.028,1396 9.106,1397 3.37,1398 0.234,1399 114.468,1400 0.194,1401 34.55,1402 0.36,1403 188,1404 587.321,1405 208.28,1406 550.567,1407 745.05,1408 518,1409 220,1410 535.003,1411 240.644,1412 540.048,1413 784.13,1414 505,1415 6.87}
{0 CHEMBL220294,1 1.604,2 8.633,3 3.686,4 13.59,5 115.007,6 7.565,7 0.364,8 4.098,9 4.211,10 3.668,11 3.62,12 5.264,13 3.608,14 4.635,15 4.795,16 4.056,17 4.041,18 5.839,19 4.007,20 4.899,21 5.089,22 4.212,23 4.226,24 5.958,25 4.189,26 5.016,27 5.193,28 4.306,29 4.286,30 6.227,31 4.257,32 5.104,33 5.299,34 4.304,35 4.336,36 6.245,37 4.298,38 5.146,39 5.344,40 4.302,41 4.359,42 6.311,43 4.3,44 5.181,45 5.403,46 4.213,47 4.314,48 6.267,49 4.232,50 5.153,51 5.394,52 4.062,53 4.145,54 6.483,55 4.042,56 0.173,57 0.794,58 10.95,59 4.944,60 16.43,61 6.308,62 0.384,63 1.272,64 20.687,65 8.701,66 57.826,67 11.52,68 0.339,69 1.623,70 28.132,71 10.536,72 44.85,73 14.4,74 0.573,75 1.784,76 31.794,77 11.214,78 80.199,79 14.941,80 0.609,81 1.906,82 35.837,83 11.836,84 86.832,85 16.017,86 0.699,87 1.96,88 37.362,89 12.855,90 94.889,91 17.671,92 0.673,93 1.945,94 40.033,95 13.749,96 74.165,97 19.087,98 1.218,99 1.718,100 41.565,101 12.841,102 178.127,103 18.455,104 43,105 48,106 0.264,107 0.643,108 0.822,109 0.865,110 0.877,111 0.877,112 3.442,113 0.917,114 -4.49,115 -4.42,116 -4.16,121 40.7,122 2,123 4,124 1,127 1,138 1,141 1,144 4,145 3,146 2,148 1,149 1,158 1,165 1,166 1,167 1,168 2,176 11,179 2,180 10,183 1,185 3,187 15,189 2,192 11,197 3,200 12,203 2,205 1,206 16,208 2,209 3,211 8,214 11,216 4,219 14,224 5,227 12,229 3,231 1,232 10,234 1,235 2,236 1,237 4,238 1,239 14,241 2,243 3,244 6,246 1,247 2,249 3,251 13,253 1,255 6,256 8,258 2,259 4,261 3,264 8,266 1,269 6,274 1,277 5,281 1520,282 20.129,283 20.129,284 20.129,285 20.129,286 20.129,287 17.811,288 27.293,289 11.734,290 20.451,291 16.234,292 16.234,293 16.234,294 16.234,295 16.234,296 12.682,297 33.222,298 5.436,299 16.66,300 4.151,301 1.856,302 0.769,303 0.509,304 0.435,305 0.435,306 4.134,311 1,312 1,313 551,314 3.606,318 256.864,322 204.233,325 1.233,326 42.846,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 66,338 259,339 4.719,340 3.813,341 7.193,342 4.396,343 3.41,344 4.383,345 2.612,346 12.671,347 3.363,348 4.352,349 3.759,350 6.602,351 3.981,352 2.995,353 3.993,354 1.36,355 10.41,356 2.951,357 4.245,358 3.256,359 6.077,360 3.754,361 2.778,362 3.797,363 1.216,364 8.63,365 2.709,366 3.818,367 2.955,368 5.966,369 3.454,370 2.467,371 3.217,372 0.986,373 8.296,374 2.431,375 3.711,376 2.779,377 5.651,378 3.273,379 2.313,380 3.076,382 7.336,383 2.222,384 3.468,385 2.455,386 5.292,387 3.048,388 2.083,389 2.768,391 6.309,392 2.003,393 3.168,394 2.215,395 4.851,396 2.808,397 1.848,398 2.298,400 5.094,401 1.77,402 2.99,403 2.078,404 4.538,405 2.538,406 1.552,407 2.117,409 4.125,410 1.529,411 2.601,412 1.648,413 3.892,414 2.402,415 1.412,416 1.593,418 3.077,419 1.396,420 2.506,421 1.475,422 3.731,423 2.172,424 1.194,425 1.504,427 2.899,428 1.165,429 2.461,430 1.432,431 3.651,432 2,433 1,434 1.447,436 2.374,437 1,438 2.112,439 1.241,440 3.437,441 1.957,442 1,443 1.067,445 2.321,446 0.951,447 1.951,448 1.123,449 3.388,450 1.799,451 0.832,452 0.901,454 1.573,455 0.8,456 1.333,457 1,458 3.072,459 1.05,460 0.09,461 0.105,463 0.235,464 0.086,465 1.059,466 0.508,467 2.848,468 0.859,469 -0.101,470 -0.113,472 -0.262,473 -0.097,474 13.933,475 0.464,476 0.84,477 0.028,478 38.25,479 1.275,480 19,481 0.633,482 19.25,483 0.642,484 29.229,485 0.974,486 32.867,487 0.609,488 31.567,489 1.052,490 7.15,491 0.238,492 7.268,493 0.242,494 0.172,496 0.423,501 0.648,502 1.132,503 0.772,504 1.011,505 0.685,506 0.932,507 0.532,508 1.11,509 0.714,510 1.009,511 0.377,512 0.922,513 0.809,514 1.132,515 0.803,516 0.974,517 0.58,518 0.895,519 1.036,520 1.139,521 0.985,522 1.063,523 0.997,524 1.018,525 1.199,526 1.082,527 1.055,528 0.978,529 0.991,530 0.973,531 0.948,532 1.137,533 1.051,534 1.109,535 0.862,536 1.098,537 0.88,538 1.083,539 1.033,540 1.167,541 0.848,542 1.135,543 0.755,544 0.969,545 1.013,546 1.076,547 0.735,548 1.093,549 5.5,550 0.058,551 3.556,552 3,553 2.796,554 1.66,555 1.079,556 0.882,557 0.385,558 0.225,559 9427,560 26905,561 2.048,562 44.4,563 7,564 6,567 3,568 5,569 3,572 1.741,573 1.875,574 3.069,575 0.9,577 1,582 86.617,583 1.604,584 3.899,585 4.986,586 5.245,587 5.32,588 5.32,589 2.483,590 4.215,591 4.876,592 3.239,593 1408.77,594 8.581,595 18491.3,597 1,599 1,600 310.764,601 1.522,602 4.816,603 0.167,604 0.005,605 0.074,606 0.054,607 0.047,608 0.028,609 0.019,610 0.018,611 0.01,612 0.011,613 0.433,614 0.17,615 1,616 1.216,617 148.386,618 0.079,619 0.083,620 0.038,621 0.086,622 -0.051,623 0.055,624 0.209,625 -0.016,626 0.155,627 0.069,628 0.233,629 0.093,630 -0.056,631 -0.051,632 0.099,633 0.056,634 0.004,635 0.103,636 -0.056,637 -0.046,638 -0.057,639 -0.068,640 -0.048,641 -0.066,642 -0.203,643 -0.012,644 -0.107,645 -0.001,646 -0.122,647 -0.022,648 -0.021,649 -0.084,650 -0.109,651 -0.12,652 -0.025,653 -0.131,654 0.018,655 -0.084,656 -0.067,657 -0.186,658 -0.044,659 -0.151,660 0.331,661 -0.047,662 0.016,663 -0.128,664 0.354,665 -0.12,666 2.436,667 4.691,668 0.667,669 24.444,670 1.01,671 1.129,672 3.261,673 10.637,674 0.657,675 3.526,676 3.892,677 4.234,678 4.585,679 4.905,680 5.088,681 5.293,682 5.476,683 5.595,684 5.609,685 5.515,686 0.634,687 408.5,688 3.526,689 5.094,690 5.979,691 6.897,692 7.809,693 8.738,694 9.662,695 10.597,696 11.527,697 12.465,698 7.4,702 1,707 1,708 1,709 1,715 4,716 1,720 7,722 12,733 1,735 1,741 54,743 16,744 1,745 33,747 57,748 22,749 11,750 2,751 4,752 3,756 4,757 7,763 2,767 4,768 1,770 4,772 14,773 8,774 1,777 4,779 1,782 2,785 1,786 3,790 1,793 24,794 7,795 3,796 8,802 4,808 0.5,809 4,822 1,829 4,833 2,839 1,850 1,857 1,858 1,859 2,864 2,868 30,869 1,875 1,876 5,878 1,880 1,893 7.4,895 1,897 1,899 2,901 16,902 10.3,903 6.611,904 3.506,907 3.131,908 1.391,909 0.963,910 5.589,911 11.141,912 3.784,913 4.419,914 5.004,915 5.612,916 6.217,917 6.618,918 7.093,919 7.504,920 7.874,921 8.132,922 0.833,923 56,924 11.166,926 4.915,927 0.026,929 7.933,931 20.998,933 17.618,936 2.433,937 73,939 1,940 1,941 247.193,942 97.403,943 72.138,945 104.43,948 97.403,949 351.623,950 72.138,951 23.32,952 14.731,953 70.802,954 73.226,955 38.818,956 2.328,957 247.193,958 50.747,959 247.193,960 169.541,961 104.43,964 211.88,965 77.997,966 61.747,968 51.923,969 95.162,970 22.456,972 247.193,973 176.568,974 97.403,977 247.193,978 41.848,979 61.225,981 170.898,982 247.193,983 176.568,984 97.403,986 0.585,987 0.356,988 0.207,989 0.12,990 24,991 12,992 0.07,993 4,994 2,995 1.2,996 3.79,997 293.761,998 0.2,999 20,1000 143.207,1005 20.517,1006 8.172,1007 3.63,1009 170.898,1010 6.364,1011 4.792,1015 4.357,1017 75.581,1018 521.165,1019 43,1021 -0.436,1024 22.762,1027 4.627,1028 0.75,1031 54.552,1032 60.983,1034 0.279,1035 0.677,1036 0.866,1037 0.911,1038 0.924,1039 0.924,1040 5.056,1041 1.552,1042 5.994,1043 5.094,1044 4.575,1045 5.106,1046 2.99,1047 6.891,1048 4.529,1049 6.292,1050 1.412,1051 7.606,1052 4.125,1053 4.29,1054 5.085,1055 2.525,1056 7.966,1057 4.232,1058 7.637,1059 1.194,1060 9.323,1061 3.077,1062 6.24,1063 7.346,1064 4.302,1065 11.144,1066 6.159,1067 9.017,1068 1,1069 11.1,1070 2.899,1071 6.77,1072 8.107,1073 4.553,1074 13.056,1075 6.679,1076 10.428,1077 1,1078 12.917,1079 2.374,1080 8.223,1081 9.88,1082 5.986,1083 15.778,1084 8.115,1085 11.861,1086 0.832,1087 14.759,1088 2.321,1089 9.121,1090 10.99,1091 6.568,1092 18.044,1093 9.003,1094 13.311,1095 0.09,1096 16.622,1097 1.573,1098 10.395,1099 12.573,1100 7.804,1101 20.621,1102 10.263,1103 3.41,1104 -0.101,1105 18.501,1106 0.235,1107 11.459,1108 13.851,1109 8.551,1110 23.039,1111 11.317,1112 2.995,1113 12.671,1114 20.391,1115 -0.262,1116 12.673,1117 15.355,1118 9.672,1119 25.575,1120 12.518,1121 2.778,1122 10.41,1123 22.293,1124 4.383,1125 13.813,1126 16.716,1127 10.51,1128 28.057,1129 13.646,1130 2.467,1131 8.63,1132 24.202,1133 3.993,1134 15.013,1135 18.188,1136 11.564,1137 30.584,1138 14.833,1139 2.313,1140 8.296,1141 26.12,1142 3.797,1143 16.188,1144 19.593,1145 12.452,1146 33.094,1147 15.996,1148 2.083,1149 7.336,1150 28.044,1151 3.217,1152 17.388,1153 21.053,1154 13.468,1155 35.622,1156 17.184,1157 1.848,1158 6.309,1159 29.973,1160 3.076,1161 18.582,1162 22.482,1163 14.386,1164 38.145,1165 18.365,1166 9237,1167 15768,1168 21.501,1169 35.455,1170 50.379,1171 51.878,1172 53.228,1173 49.941,1174 49.949,1175 64.53,1176 12.349,1177 150.698,1178 48.752,1179 5.664,1180 5.813,1181 6.962,1182 5.449,1183 5.41,1184 7.383,1185 4.612,1186 20.367,1187 5.363,1188 17.007,1189 1.527,1190 1.572,1191 1.613,1192 1.513,1193 1.514,1194 1.955,1195 0.374,1196 4.567,1197 1.477,1198 4.102,1199 4.131,1200 4.067,1201 4.015,1202 7.815,1203 4.022,1204 3.939,1205 3.97,1206 3.899,1207 3.822,1208 6.999,1209 3.828,1210 3.753,1211 3.787,1212 3.685,1213 3.617,1214 6.473,1215 3.625,1216 3.524,1217 3.578,1218 3.436,1219 3.325,1220 5.122,1221 3.328,1222 3.464,1223 3.494,1224 3.373,1225 3.223,1226 4.805,1227 3.21,1228 3.38,1229 3.452,1230 3.223,1231 3.077,1232 4.664,1233 3.152,1234 3.17,1235 3.234,1236 3.042,1237 2.959,1238 4.518,1239 2.977,1240 3.102,1241 3.188,1242 2.91,1243 2.916,1244 4.362,1245 2.902,1246 0.143,1247 0.116,1248 0.218,1249 0.133,1250 0.103,1251 4.719,1252 0.133,1253 3.813,1254 0.079,1255 7.193,1256 0.384,1257 4.396,1258 0.102,1259 3.41,1260 4.383,1261 2.612,1262 12.671,1263 3.363,1264 2.037,1265 2.013,1266 2.124,1267 2.146,1268 1.427,1269 2.136,1270 1.897,1271 1.866,1272 2.026,1273 2.052,1274 1.264,1275 2.029,1276 1.708,1277 1.674,1278 1.855,1279 1.886,1280 0.976,1281 1.874,1282 1.483,1283 1.422,1284 1.789,1285 1.729,1286 0.932,1287 1.747,1288 1.381,1289 1.317,1290 1.619,1291 1.635,1292 0.773,1293 1.598,1294 1.224,1295 1.186,1296 1.453,1297 1.574,1298 0.722,1299 1.543,1300 1.128,1301 1.062,1302 1.393,1303 1.371,1304 0.568,1305 1.389,1306 1.099,1307 1.028,1308 1.267,1309 1.352,1310 0.213,1311 1.366,1312 4.205,1314 5.557,1316 7.125,1318 8.803,1320 10.541,1322 3.546,1326 6.644,1327 10.691,1328 4.062,1330 5.408,1332 -0.566,1340 34.213,1341 86.617,1342 210.522,1343 269.254,1344 283.254,1345 287.254,1346 287.254,1347 69.654,1348 8.011,1349 126.55,1350 126.55,1351 24,1352 12.963,1353 4.087,1354 3.459,1355 46.357,1356 93,1357 110,1358 0.237,1359 209.044,1360 373.32,1361 501.827,1362 31312,1364 21.413,1365 0.714,1366 0.567,1367 21.413,1368 17.013,1369 14.418,1370 0.437,1371 0.306,1372 9.958,1373 13.796,1374 9.712,1375 8.028,1376 14.418,1377 10.09,1378 13.205,1379 0.275,1380 0.157,1381 13.205,1382 7.529,1383 11.264,1384 0.166,1385 0.084,1386 11.264,1387 5.702,1388 10.109,1389 0.104,1390 0.045,1391 10.109,1392 4.36,1393 8.461,1394 0.063,1395 0.024,1396 8.461,1397 3.241,1398 0.352,1399 90.997,1400 0.216,1401 27.172,1402 0.724,1403 162,1404 499.604,1405 179.234,1406 479.17,1407 651.24,1408 444,1409 197,1410 490.329,1411 213.464,1412 488.368,1413 719.74,1414 460,1415 6.719}
{0 CHEMBL2206891,1 1.313,2 8.483,3 5.889,4 34.685,5 116.987,6 7.422,7 0.676,8 4.046,9 4.152,10 3.639,11 3.71,12 5.091,13 3.673,14 4.588,15 4.726,16 4.044,17 4.157,18 5.564,19 4.097,20 4.898,21 5.086,22 4.198,23 4.331,24 5.816,25 4.258,26 4.971,27 5.164,28 4.21,29 4.337,30 5.961,31 4.265,32 4.986,33 5.181,34 4.2,35 4.348,36 5.969,37 4.275,38 4.981,39 5.18,40 4.132,41 4.339,42 5.95,43 4.249,44 4.946,45 5.166,46 3.972,47 4.295,48 5.838,49 4.17,50 4.854,51 5.089,52 3.698,53 4.178,54 5.669,55 4.006,56 0.046,57 0.654,58 10.072,59 4.668,60 9.111,61 6.096,62 0.123,63 1.118,64 18.438,65 8.517,66 14.072,67 11.339,68 0.141,69 1.557,70 27.361,71 11.798,72 21.648,73 15.879,74 0.317,75 1.716,76 30.291,77 12.018,78 38.585,79 15.861,80 0.292,81 1.722,82 31.089,83 12.2,84 39.388,85 15.84,86 0.288,87 1.721,88 30.93,89 12.234,90 40.994,91 16.05,92 0.228,93 1.655,94 30.181,95 12.544,96 34.228,97 17.04,98 0.141,99 1.486,100 27.551,101 12.206,102 27.054,103 17.024,104 2,105 50,106 0.216,107 0.544,108 0.678,109 0.801,110 0.869,111 0.875,112 3.41,113 0.915,114 -6.48,115 -6.31,116 -5.85,121 51,123 4,124 1,144 11,145 6,146 2,148 1,149 1,165 1,166 1,167 1,176 22,179 1,180 6,185 2,187 28,189 2,192 7,197 2,200 26,203 2,206 10,208 2,209 2,211 4,214 23,216 4,219 10,224 4,227 24,229 4,232 8,237 4,239 27,241 4,244 3,249 3,251 30,253 3,261 2,264 27,266 2,274 1,277 17,279 1,281 1197,282 20.413,283 20.413,284 20.413,285 20.413,286 20.413,287 17.644,288 18.555,289 11.987,290 20.581,291 16.842,292 16.842,293 16.842,294 16.842,295 16.842,296 12.661,297 21.818,298 5.71,299 17.157,300 4.359,301 2.365,302 1.552,303 0.806,304 0.392,305 0.353,306 4.141,312 1,313 565,314 2.345,318 254.122,322 262.514,325 1.156,326 18.277,329 0.75,330 0.67,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.75,337 60,338 246,339 4.733,340 3.776,341 7.177,342 4.397,343 3.419,344 4.549,345 1.36,346 12.626,347 3.348,348 4.488,349 3.228,350 6.68,351 4.051,352 3.066,353 4.285,354 0.86,355 10.753,356 3.019,357 4.131,358 3.06,359 6.373,360 3.802,361 2.809,362 3.638,364 9.685,365 2.791,366 3.75,367 2.671,368 5.829,369 3.344,370 2.378,371 3.238,373 7.8,374 2.304,375 3.584,376 2.378,377 5.589,378 3.187,379 2.201,380 2.974,382 7.196,383 2.168,384 3.422,385 2.263,386 5.267,387 3.022,388 2.078,389 2.722,391 6.279,392 1.946,393 3.219,394 2.005,395 4.874,396 2.782,397 1.802,398 2.53,400 5.175,401 1.763,402 2.993,403 1.624,404 4.348,405 2.558,406 1.561,407 2.198,409 3.81,410 1.555,411 2.843,412 1.518,413 3.882,414 2.412,415 1.421,416 2.002,418 3.103,419 1.407,420 2.5,421 1.399,422 3.679,423 2.364,424 1.364,425 1.5,427 2.988,428 1.363,429 2.497,430 1.366,431 3.643,432 2.13,433 1.157,434 1.497,436 2.893,437 1.119,438 2.417,439 1.105,440 3.575,441 2,442 1,443 1.395,445 2.224,446 1,447 2.253,448 1,449 3.441,450 1.858,451 0.882,452 1.174,454 2.136,455 0.857,456 1.96,457 0.893,458 3.247,459 1.754,460 0.767,461 0.9,463 1.917,464 0.756,465 1.378,466 0.349,467 3.093,468 1.029,469 0.094,470 0.115,472 0.256,473 0.087,474 14.133,475 0.487,476 0.62,477 0.021,478 41.25,479 1.422,480 23,481 0.793,482 18.25,483 0.629,484 24.2,485 0.834,486 28.467,487 0.558,488 29.869,489 1.03,490 7.661,491 0.264,492 6.649,493 0.229,494 0.028,496 0.389,501 0.901,502 0.908,503 0.776,504 0.845,505 1.019,506 0.804,507 0.706,508 1.03,509 0.835,510 0.994,511 0.678,512 0.939,513 0.953,514 1.068,515 0.832,516 0.981,517 0.86,518 0.911,519 1.475,520 1.023,521 0.995,522 0.965,523 1.25,524 0.943,525 1.838,526 1.006,527 1.037,528 0.908,529 1.414,530 0.91,531 1.704,532 1.021,533 1.116,534 0.954,535 1.424,536 0.982,537 1.114,538 0.984,539 1.114,540 1.008,541 1.119,542 1.05,543 0.541,544 1.091,545 1.178,546 1.199,547 0.873,548 1.233,549 3.5,550 0.016,551 3.111,552 2.313,553 2.591,554 1.236,555 0.89,556 0.448,557 0.2,558 0.092,559 9936,560 20343,561 2.277,562 43.1,563 7,564 11,567 2,568 2,572 1.731,573 2.203,574 3.055,575 0.091,582 66.975,583 1.313,584 3.307,585 4.12,586 4.866,587 5.28,588 5.319,589 2.422,590 4.72,591 4.83,592 3.184,593 1292.85,594 8.476,595 16257.3,600 289.294,601 1.15,602 4.818,603 0.103,604 0.003,605 0.062,606 0.041,607 0.046,608 0.022,609 0.017,610 0.01,611 0.006,612 0.005,613 0.315,614 0.67,615 0.75,616 0.335,617 141.098,618 -0.032,619 0.095,620 0.061,621 0.079,622 -0.08,623 0.081,624 0.172,625 -0.06,626 0.042,627 -0.044,628 0.079,629 -0.018,630 0.076,631 -0.084,632 0.113,633 -0.019,634 0.047,635 0.04,636 0.05,637 0.013,638 -0.011,639 -0.026,640 0.057,641 -0.024,642 -0.179,643 0.022,644 -0.043,645 0.035,646 -0.065,647 0.011,648 -0.219,649 0.007,650 -0.131,651 -0.009,652 -0.121,653 -0.055,654 -0.155,655 0.009,656 -0.143,657 -0.036,658 -0.117,659 -0.079,660 -0.067,661 -0.147,662 -0.225,663 -0.199,664 -0.124,665 -0.221,666 1.306,667 2.998,668 0.966,669 21.822,670 0.988,671 1.105,672 5.248,673 27.545,674 0.707,675 3.555,676 3.932,677 4.331,678 4.718,679 5.088,680 5.283,681 5.568,682 5.832,683 6.045,684 6.125,685 5.275,686 0.667,687 378.5,688 3.555,689 5.13,690 6.038,691 6.963,692 7.892,693 8.829,694 9.766,695 10.709,696 11.652,697 12.598,698 3.9,702 1,708 1,714 2,715 11,716 1,720 8,722 23,733 1,739 1,741 51,743 23,744 3,745 34,747 56,748 26,749 21,750 5,751 11,756 6,757 16,767 4,768 1,770 4,772 21,773 5,774 1,793 22,794 3,795 2,796 3,802 2,808 0.333,809 1,822 1,829 6,833 4,859 2,868 29,869 1,876 4,878 1,880 1,893 2,898 1,901 13.167,902 9.2,903 6.194,904 3.343,907 4.543,908 1.516,909 1.087,910 3.801,911 13.345,912 3.839,913 4.516,914 5.198,915 5.869,916 6.529,917 6.932,918 7.481,919 8.041,920 8.552,921 8.9,922 0.833,923 57,924 10.76,926 4.803,927 0.026,929 7.448,931 21.268,933 18.874,936 1.948,937 56.5,941 235.422,942 147.837,943 49.683,945 11,948 147.837,949 246.422,950 49.683,952 10.138,953 137.136,954 16.786,955 39.645,956 4.815,957 235.422,959 235.422,960 197.519,961 11,964 235.422,965 11,968 12.895,969 167.839,970 16.786,972 235.422,973 60.683,974 147.837,977 235.422,978 43.598,979 104.239,981 60.683,982 235.422,983 60.683,984 147.837,986 0.586,987 0.363,988 0.22,989 0.131,990 29,991 11,992 0.018,993 1,994 4,995 1.286,996 3.922,997 300.668,998 0.286,999 28,1000 136.881,1005 16.909,1006 6.519,1007 2.551,1008 2.294,1009 60.683,1010 23.344,1011 4.994,1015 8.209,1017 32.897,1018 443.941,1019 45.5,1031 50.367,1032 56.358,1034 0.232,1035 0.583,1036 0.726,1037 0.858,1038 0.931,1039 0.938,1040 5.098,1041 1.561,1042 6.033,1043 5.175,1044 4.615,1045 5.204,1046 1.659,1047 6.936,1048 4.576,1049 6.324,1050 1.421,1051 7.638,1052 3.81,1053 4.205,1054 5.047,1055 1.06,1056 7.999,1057 4.142,1058 7.657,1059 1.364,1060 9.35,1061 3.103,1062 6.279,1063 7.489,1064 1.782,1065 11.205,1066 6.203,1067 9.029,1068 1.157,1069 11.127,1070 2.988,1071 6.746,1072 8.189,1073 1.679,1074 13.123,1075 6.649,1076 10.438,1077 1,1078 12.947,1079 2.893,1080 8.265,1081 10.082,1082 2.12,1083 15.851,1084 8.156,1085 11.872,1086 0.882,1087 14.795,1088 2.224,1089 9.14,1090 11.19,1091 2.248,1092 18.113,1093 9.009,1094 13.327,1095 0.767,1096 16.663,1097 2.136,1098 10.447,1099 12.854,1100 2.595,1101 20.688,1102 10.301,1103 3.419,1104 0.094,1105 18.546,1106 1.917,1107 11.507,1108 14.162,1109 2.825,1110 23.095,1111 11.338,1112 3.066,1113 12.626,1114 20.441,1115 0.256,1116 12.738,1117 15.727,1118 3.141,1119 25.624,1120 12.552,1121 2.809,1122 10.753,1123 22.345,1124 4.549,1125 13.879,1126 17.132,1127 3.415,1128 28.093,1129 13.671,1130 2.378,1131 9.685,1132 24.257,1133 4.285,1134 15.087,1135 18.656,1136 3.723,1137 30.611,1138 14.859,1139 2.201,1140 7.8,1141 26.175,1142 3.638,1143 16.265,1144 20.108,1145 4.015,1146 33.109,1147 16.014,1148 2.078,1149 7.196,1150 28.099,1151 3.238,1152 17.47,1153 21.614,1154 4.322,1155 35.627,1156 17.198,1157 1.802,1158 6.279,1159 30.027,1160 2.974,1161 18.665,1162 23.09,1163 4.622,1164 38.139,1165 18.371,1166 8949,1167 12947,1168 23.868,1169 36.08,1170 52.191,1171 52.398,1172 53.201,1173 51.999,1174 51.997,1175 69.433,1176 4.44,1177 157.686,1178 50.964,1179 5.678,1180 5.776,1181 6.979,1182 5.503,1183 5.419,1184 7.549,1185 2.22,1186 20.402,1187 5.348,1188 6.443,1189 1.535,1190 1.541,1191 1.565,1192 1.529,1193 1.529,1194 2.042,1195 0.131,1196 4.638,1197 1.499,1198 4.156,1199 4.173,1200 4.122,1201 4.101,1202 5.142,1203 4.103,1204 3.965,1205 3.995,1206 3.913,1207 3.903,1208 4.938,1209 3.901,1210 3.866,1211 3.899,1212 3.792,1213 3.802,1214 4.737,1215 3.796,1216 3.597,1217 3.639,1218 3.497,1219 3.505,1220 4.694,1221 3.497,1222 3.396,1223 3.448,1224 3.286,1225 3.298,1226 4.359,1227 3.289,1228 3.153,1229 3.23,1230 3.041,1231 2.992,1232 4.173,1233 2.988,1234 3.078,1235 3.134,1236 2.957,1237 2.943,1238 3.893,1239 2.938,1240 2.976,1241 3.025,1242 2.852,1243 2.868,1244 3.766,1245 2.858,1246 0.139,1247 0.111,1248 0.211,1249 0.129,1250 0.101,1251 4.733,1252 0.134,1253 3.776,1254 0.04,1255 7.177,1256 0.371,1257 4.397,1258 0.098,1259 3.419,1260 4.549,1261 1.36,1262 12.626,1263 3.348,1264 2.11,1265 2.097,1266 2.18,1267 2.18,1268 1.434,1269 2.179,1270 1.958,1271 1.93,1272 2.079,1273 2.048,1274 1.343,1275 2.06,1276 1.876,1277 1.844,1278 2.014,1279 1.962,1280 1.151,1281 1.981,1282 1.594,1283 1.557,1284 1.75,1285 1.727,1286 0.91,1287 1.739,1288 1.401,1289 1.356,1290 1.577,1291 1.538,1292 0.75,1293 1.556,1294 1.134,1295 1.066,1296 1.453,1297 1.372,1298 0.681,1299 1.395,1300 1.087,1301 1.031,1302 1.3,1303 1.253,1304 0.475,1305 1.273,1306 0.976,1307 0.934,1308 1.186,1309 1.161,1310 0.297,1311 1.173,1312 4.234,1314 5.595,1316 7.188,1318 8.89,1320 10.652,1326 6.802,1328 4.331,1330 6.498,1332 0.027,1340 34.026,1341 66.975,1342 168.657,1343 210.121,1344 248.174,1345 269.294,1346 271.294,1347 37.196,1348 8.803,1349 48.14,1350 48.14,1351 36,1352 13.09,1353 4.585,1354 3.644,1355 35.554,1356 91,1357 90,1358 0.194,1359 201.194,1360 342.35,1361 482.674,1362 86003,1364 19.372,1365 0.668,1366 0.558,1367 19.372,1368 16.189,1369 14.31,1370 0.421,1371 0.305,1372 10.314,1373 14.106,1374 10.104,1375 8.313,1376 14.31,1377 10.366,1378 12.965,1379 0.259,1380 0.161,1381 12.965,1382 8.027,1383 12.047,1384 0.161,1385 0.085,1386 12.047,1387 6.362,1388 11.142,1389 0.1,1390 0.045,1391 11.142,1392 4.965,1393 10.074,1394 0.063,1395 0.024,1396 10.074,1397 3.835,1398 0.287,1399 87.371,1400 0.205,1401 26.367,1402 0.594,1403 168,1404 370.693,1405 175.399,1406 372.927,1407 543.52,1408 354,1409 209,1410 430.935,1411 217.48,1412 440.627,1413 662.02,1414 420,1415 6.523}
{0 CHEMBL2206892,1 1.303,2 8.767,3 6.376,4 40.648,5 122.028,6 7.269,7 0.657,8 4.095,9 4.204,10 3.669,11 3.753,12 5.127,13 3.711,14 4.643,15 4.791,16 4.08,17 4.2,18 5.602,19 4.137,20 4.941,21 5.125,22 4.235,23 4.383,24 5.865,25 4.305,26 5.046,27 5.248,28 4.234,29 4.391,30 6.014,31 4.308,32 5.041,33 5.247,34 4.218,35 4.382,36 5.996,37 4.302,38 5.001,39 5.197,40 4.167,41 4.373,42 5.966,43 4.284,44 5.005,45 5.226,46 4.048,47 4.364,48 5.879,49 4.24,50 4.942,51 5.165,52 3.862,53 4.289,54 5.781,55 4.129,56 0.051,57 0.698,58 11.024,59 5.057,60 9.615,61 6.689,62 0.137,63 1.196,64 20.302,65 9.237,66 14.87,67 12.437,68 0.148,69 1.632,70 28.801,71 12.416,72 22.781,73 16.81,74 0.335,75 1.846,76 33.43,77 13.229,78 41.787,79 17.773,80 0.308,81 1.819,82 33.703,83 13.122,84 41.068,85 17.401,86 0.289,87 1.758,88 31.784,89 12.533,90 41.031,91 16.638,92 0.236,93 1.754,94 32.302,95 13.428,96 33.01,97 18.415,98 0.126,99 1.622,100 29.753,101 13.351,102 27.192,103 18.654,104 5,105 52,106 0.212,107 0.548,108 0.707,109 0.807,110 0.863,111 0.869,112 3.443,113 0.924,114 -6.68,115 -6.5,116 -6.02,121 50,122 1,123 4,124 1,144 10,145 7,146 2,148 1,149 1,165 1,166 1,167 1,176 23,179 1,180 6,185 2,187 30,189 2,192 7,197 2,200 28,203 2,206 10,208 2,209 2,211 4,214 24,216 4,219 10,224 4,227 25,229 4,232 8,237 4,239 29,241 4,244 3,249 3,251 31,253 3,256 2,261 3,264 30,266 3,274 1,277 20,279 1,281 1368,282 20.861,283 20.861,284 20.861,285 20.861,286 20.861,287 18.067,288 20.981,289 12.073,290 21.029,291 17.308,292 17.308,293 17.308,294 17.308,295 17.308,296 13.066,297 23.289,298 5.747,299 17.623,300 4.452,301 2.39,302 1.414,303 0.799,304 0.458,305 0.421,306 4.17,312 1,313 600,314 2.449,318 269.317,322 277.829,325 1.131,326 19.083,329 0.75,330 0.67,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.75,337 62,338 263,339 4.733,340 3.776,341 7.177,342 4.398,343 3.42,344 4.549,345 1.36,346 12.627,347 3.348,348 4.488,349 3.228,350 6.68,351 4.051,352 3.066,353 4.285,354 0.86,355 10.753,356 3.019,357 4.154,358 3.066,359 6.374,360 3.814,361 2.82,362 3.708,364 9.688,365 2.802,366 3.86,367 2.691,368 5.831,369 3.462,370 2.474,371 3.358,373 7.815,374 2.448,375 3.586,376 2.539,377 5.598,378 3.206,379 2.229,380 2.975,382 7.229,383 2.183,384 3.51,385 2.374,386 5.282,387 3.138,388 2.186,389 2.813,391 6.426,392 2.072,393 3.323,394 2.178,395 5.048,396 2.941,397 1.971,398 2.6,400 5.859,401 1.899,402 3.19,403 1.89,404 4.784,405 2.725,406 1.734,407 2.508,409 4.996,410 1.716,411 2.909,412 1.577,413 4.309,414 2.451,415 1.454,416 2.099,418 3.628,419 1.448,420 2.5,421 1.486,422 3.845,423 2.411,424 1.42,425 1.5,427 3.087,428 1.406,429 2.5,430 1.376,431 3.677,432 2.172,433 1.201,434 1.5,436 2.963,437 1.159,438 2.442,439 1.14,440 3.596,441 2,442 1,443 1.428,445 2.275,446 1,447 2.276,448 1,449 3.537,450 1.861,451 0.886,452 1.196,454 2.258,455 0.86,456 1.985,457 0.931,458 3.414,459 1.808,460 0.817,461 0.938,463 2.035,464 0.809,465 1.393,466 0.363,467 3.118,468 1.045,469 0.107,470 0.131,472 0.287,473 0.099,474 14.633,475 0.488,476 0.726,477 0.024,478 41.75,479 1.392,480 23,481 0.767,482 18.75,483 0.625,484 26.562,485 0.885,486 29.767,487 0.551,488 30.713,489 1.024,490 7.702,491 0.257,492 7.002,493 0.233,494 0.062,496 0.41,501 0.903,502 0.929,503 0.798,504 0.869,505 1.046,506 0.829,507 0.696,508 0.994,509 0.802,510 0.953,511 0.64,512 0.899,513 0.966,514 1.107,515 0.874,516 1.024,517 0.891,518 0.955,519 1.434,520 1.032,521 1,522 0.98,523 1.248,524 0.959,525 1.806,526 0.977,527 0.998,528 0.879,529 1.381,530 0.878,531 1.742,532 1.031,533 1.116,534 0.959,535 1.442,536 0.985,537 1.096,538 0.955,539 1.069,540 0.972,541 1.113,542 1.009,543 0.475,544 1.19,545 1.149,546 1.254,547 0.761,548 1.254,549 4.5,550 0.066,551 3.556,552 2.375,553 2.782,554 1.347,555 1.048,556 0.637,557 0.295,558 0.203,559 10829,560 21624,561 2.246,562 44.4,563 10,564 10,567 2,568 2,572 1.74,573 2.143,574 3.101,575 0.078,582 70.343,583 1.303,584 3.365,585 4.341,586 4.956,587 5.296,588 5.334,589 2.411,590 4.548,591 4.877,592 3.242,593 1410.4,594 8.572,595 18206.6,600 310.764,601 1.273,602 4.857,603 0.129,604 0.007,605 0.068,606 0.04,607 0.049,608 0.024,609 0.019,610 0.013,611 0.008,612 0.009,613 0.366,614 0.67,615 0.75,616 0.424,617 147.973,618 -0.026,619 0.09,620 0.062,621 0.076,622 -0.094,623 0.079,624 0.187,625 -0.011,626 0.096,627 0.015,628 0.122,629 0.042,630 0.068,631 -0.114,632 0.068,633 -0.058,634 0.027,635 -0.004,636 0.063,638 -0.008,639 -0.033,640 0.052,641 -0.027,642 -0.149,643 0.049,644 0.008,645 0.072,646 -0.032,647 0.055,648 -0.22,649 0.002,650 -0.132,651 -0.014,652 -0.117,653 -0.059,654 -0.142,655 0.04,656 -0.101,657 0.002,658 -0.123,659 -0.038,660 -0.017,661 -0.241,662 -0.213,663 -0.26,664 -0.034,665 -0.254,666 1.311,667 3.022,668 0.933,669 24.107,670 0.986,671 1.107,672 5.45,673 29.698,674 0.701,675 3.584,676 3.97,677 4.357,678 4.736,679 5.112,680 5.313,681 5.598,682 5.872,683 6.082,684 6.184,685 5.463,686 0.658,687 392.53,688 3.584,689 5.165,690 6.071,691 6.997,692 7.923,693 8.86,694 9.796,695 10.738,696 11.679,697 12.625,698 3.7,702 1,708 1,714 2,715 10,716 1,720 9,722 23,733 1,739 1,741 54,743 23,744 3,745 35,747 59,748 27,749 21,750 6,751 10,756 6,757 16,763 1,767 4,768 1,770 4,772 21,773 6,774 1,793 24,794 3,795 2,796 3,802 2,808 0.333,809 1,822 1,829 6,833 4,859 2,864 1,868 30,869 1,876 4,878 1,880 1,893 1.9,898 1,901 14,902 10.117,903 6.361,904 3.538,907 4.582,908 1.516,909 1.077,910 4.021,911 13.466,912 3.861,913 4.549,914 5.223,915 5.888,916 6.554,917 6.959,918 7.503,919 8.07,920 8.58,921 8.948,922 0.833,923 59,924 11.135,926 4.952,927 0.026,929 7.439,931 22.043,933 19.517,936 1.939,937 58.167,941 258.964,942 150.371,943 49.683,945 11,948 150.371,949 269.964,950 49.683,951 8.825,952 10.138,953 127.66,954 16.786,955 42.831,956 4.815,957 258.964,959 258.964,960 200.054,961 11,964 258.964,965 11,968 21.72,969 161.548,970 16.786,972 258.964,973 60.683,974 150.371,977 258.964,978 46.783,979 103.588,981 60.683,982 258.964,983 60.683,984 150.371,986 0.592,987 0.363,988 0.213,989 0.128,990 30,991 12,992 0.017,993 1,994 4,995 1.286,996 3.98,997 313.937,998 0.286,999 28,1000 143.207,1005 17.824,1006 6.768,1007 2.739,1008 2.296,1009 60.683,1010 21.555,1011 5.011,1015 9.48,1017 32.897,1018 470.018,1019 46.5,1031 53.251,1032 59.773,1034 0.226,1035 0.585,1036 0.754,1037 0.861,1038 0.92,1039 0.927,1040 5.128,1041 1.734,1042 6.075,1043 5.859,1044 4.654,1045 5.236,1046 1.659,1047 6.976,1048 4.617,1049 6.362,1050 1.454,1051 7.682,1052 4.996,1053 4.29,1054 5.13,1055 1.06,1056 8.034,1057 4.233,1058 7.7,1059 1.42,1060 9.393,1061 3.628,1062 6.323,1063 7.528,1064 1.782,1065 11.227,1066 6.251,1067 9.076,1068 1.201,1069 11.166,1070 3.087,1071 6.804,1072 8.249,1073 1.679,1074 13.135,1075 6.712,1076 10.485,1077 1,1078 12.98,1079 2.963,1080 8.303,1081 10.119,1082 2.12,1083 15.859,1084 8.197,1085 11.918,1086 0.886,1087 14.822,1088 2.275,1089 9.177,1090 11.232,1091 2.248,1092 18.117,1093 9.051,1094 13.371,1095 0.817,1096 16.685,1097 2.258,1098 10.475,1099 12.885,1100 2.595,1101 20.691,1102 10.333,1103 3.42,1104 0.107,1105 18.564,1106 2.035,1107 11.531,1108 14.192,1109 2.825,1110 23.097,1111 11.367,1112 3.066,1113 12.627,1114 20.455,1115 0.287,1116 12.757,1117 15.752,1118 3.141,1119 25.625,1120 12.575,1121 2.82,1122 10.753,1123 22.356,1124 4.549,1125 13.895,1126 17.154,1127 3.415,1128 28.094,1129 13.691,1130 2.474,1131 9.688,1132 24.265,1133 4.285,1134 15.101,1135 18.674,1136 3.723,1137 30.611,1138 14.876,1139 2.229,1140 7.815,1141 26.182,1142 3.708,1143 16.276,1144 20.124,1145 4.015,1146 33.109,1147 16.029,1148 2.186,1149 7.229,1150 28.104,1151 3.358,1152 17.479,1153 21.628,1154 4.322,1155 35.627,1156 17.21,1157 1.971,1158 6.426,1159 30.031,1160 2.975,1161 18.673,1162 23.102,1163 4.622,1164 38.14,1165 18.382,1166 9820,1167 14030,1168 24.274,1169 37.841,1170 53.842,1171 54.107,1172 55.43,1173 53.564,1174 53.569,1175 71.178,1176 4.44,1177 163.85,1178 52.537,1179 5.679,1180 5.776,1181 6.861,1182 5.504,1183 5.42,1184 7.549,1185 2.22,1186 20.403,1187 5.348,1188 9.839,1189 1.538,1190 1.546,1191 1.584,1192 1.53,1193 1.531,1194 2.034,1195 0.127,1196 4.681,1197 1.501,1198 4.158,1199 4.175,1200 4.123,1201 4.103,1202 5.142,1203 4.105,1204 3.966,1205 3.996,1206 3.915,1207 3.908,1208 4.938,1209 3.906,1210 3.889,1211 3.921,1212 3.819,1213 3.824,1214 4.726,1215 3.819,1216 3.611,1217 3.652,1218 3.51,1219 3.52,1220 4.693,1221 3.512,1222 3.397,1223 3.449,1224 3.287,1225 3.298,1226 4.36,1227 3.289,1228 3.19,1229 3.262,1230 3.051,1231 3.067,1232 4.173,1233 3.051,1234 3.153,1235 3.23,1236 3.03,1237 2.974,1238 3.904,1239 2.977,1240 3.048,1241 3.102,1242 2.909,1243 2.918,1244 3.889,1245 2.905,1246 0.135,1247 0.108,1248 0.205,1249 0.126,1250 0.098,1251 4.733,1252 0.13,1253 3.776,1254 0.039,1255 7.177,1256 0.361,1257 4.398,1258 0.096,1259 3.42,1260 4.549,1261 1.36,1262 12.627,1263 3.348,1264 2.111,1265 2.098,1266 2.18,1267 2.18,1268 1.435,1269 2.18,1270 1.961,1271 1.935,1272 2.08,1273 2.049,1274 1.345,1275 2.06,1276 1.896,1277 1.865,1278 2.035,1279 1.983,1280 1.176,1281 2.002,1282 1.609,1283 1.572,1284 1.772,1285 1.739,1286 0.968,1287 1.754,1288 1.402,1289 1.356,1290 1.577,1291 1.541,1292 0.754,1293 1.559,1294 1.214,1295 1.148,1296 1.517,1297 1.403,1298 0.689,1299 1.447,1300 1.133,1301 1.062,1302 1.452,1303 1.372,1304 0.598,1305 1.395,1306 1.05,1307 1.001,1308 1.267,1309 1.238,1310 0.415,1311 1.25,1312 4.263,1314 5.631,1316 7.225,1318 8.925,1320 10.683,1322 2.12,1326 6.832,1328 4.328,1330 6.522,1332 0.022,1340 35.552,1341 70.343,1342 181.696,1343 234.425,1344 267.645,1345 286.009,1346 288.009,1347 39.58,1348 8.884,1349 48.14,1350 48.14,1351 36,1352 13.118,1353 4.585,1354 3.644,1355 37.291,1356 96,1357 110,1358 0.19,1359 210.787,1360 359.65,1361 506.08,1362 94898,1364 20.242,1365 0.675,1366 0.57,1367 20.242,1368 17.112,1369 14.704,1370 0.42,1371 0.308,1372 10.724,1373 14.5,1374 10.441,1375 8.619,1376 14.704,1377 10.777,1378 13.587,1379 0.261,1380 0.164,1381 13.587,1382 8.527,1383 12.457,1384 0.162,1385 0.086,1386 12.457,1387 6.64,1388 11.294,1389 0.1,1390 0.045,1391 11.294,1392 5.079,1393 10.309,1394 0.062,1395 0.024,1396 10.309,1397 3.978,1398 0.282,1399 89.734,1400 0.203,1401 27.18,1402 0.579,1403 174,1404 378.693,1405 181.399,1406 381.783,1407 556.07,1408 362,1409 216,1410 440.935,1411 224.48,1412 452.347,1413 678.2,1414 430,1415 6.398}
{0 CHEMBL2206893,1 1.387,2 8.767,3 5.622,4 31.607,5 118.681,6 7.587,7 0.657,8 4.074,9 4.175,10 3.674,11 3.717,12 5.166,13 3.689,14 4.605,15 4.737,16 4.088,17 4.165,18 5.637,19 4.116,20 4.923,21 5.101,22 4.24,23 4.344,24 5.909,25 4.281,26 5.004,27 5.195,28 4.234,29 4.353,30 6.021,31 4.284,32 5.007,33 5.203,34 4.22,35 4.358,36 5.991,37 4.287,38 4.995,39 5.187,40 4.175,41 4.346,42 6.003,43 4.268,44 4.976,45 5.188,46 4.065,47 4.311,48 5.932,49 4.206,50 4.905,51 5.118,52 3.894,53 4.206,54 5.934,55 4.068,56 0.05,57 0.676,58 10.1,59 4.805,60 10.549,61 5.975,62 0.098,63 1.144,64 18.181,65 8.669,66 14.312,67 11.208,68 0.145,69 1.588,70 27.579,71 11.949,72 28.736,73 15.6,74 0.33,75 1.761,76 31.026,77 12.377,78 43.729,79 16.025,80 0.289,81 1.756,82 31.497,83 12.5,84 40.593,85 16.159,86 0.299,87 1.735,88 30.89,89 12.284,90 43.23,91 15.777,92 0.235,93 1.689,94 30.812,95 12.771,96 34.344,97 16.979,98 0.341,99 1.532,100 28.674,101 12.491,102 52.471,103 16.968,104 5,105 52,106 0.227,107 0.579,108 0.724,109 0.829,110 0.872,111 0.878,112 3.443,113 0.9,114 -5.94,115 -5.79,116 -5.39,121 50,123 4,124 1,144 10,145 6,146 3,148 1,149 1,165 1,166 1,167 1,176 20,179 1,180 6,185 4,187 26,189 2,192 7,197 4,200 25,203 2,206 10,208 2,209 2,211 5,214 22,216 4,219 10,224 5,227 22,229 4,232 8,237 6,239 26,241 4,244 1,249 3,251 27,253 2,259 2,260 1,261 5,263 1,264 24,266 2,274 4,277 13,279 1,281 1368,282 20.861,283 20.861,284 20.861,285 20.861,286 20.861,287 18.067,288 20.712,289 12.073,290 21.069,291 17.308,292 17.308,293 17.308,294 17.308,295 17.308,296 13.066,297 22.981,298 5.747,299 17.705,300 4.314,301 2.172,302 1.283,303 0.644,304 0.385,305 0.346,306 4.17,312 1,313 600,314 2.449,318 269.317,322 277.829,325 1.131,326 24.174,329 0.75,330 0.67,331 1,332 0.8,333 0.5,334 1,335 1,336 0.82,337 63,338 263,339 4.733,340 3.776,341 7.177,342 4.398,343 3.42,344 4.549,345 1.36,346 12.627,347 3.348,348 4.488,349 3.228,350 6.68,351 4.051,352 3.066,353 4.285,354 0.86,355 10.753,356 3.019,357 4.154,358 3.067,359 6.374,360 3.813,361 2.82,362 3.708,364 9.688,365 2.798,366 3.86,367 2.701,368 5.831,369 3.445,370 2.474,371 3.358,373 7.815,374 2.399,375 3.586,376 2.578,377 5.598,378 3.202,379 2.229,380 2.975,382 7.229,383 2.179,384 3.51,385 2.375,386 5.282,387 3.126,388 2.186,389 2.813,391 6.426,392 2.035,393 3.323,394 2.186,395 5.048,396 2.933,397 1.971,398 2.6,400 5.859,401 1.885,402 3.19,403 1.898,404 4.784,405 2.721,406 1.734,407 2.508,409 4.996,410 1.71,411 2.909,412 1.578,413 4.309,414 2.449,415 1.454,416 2.099,418 3.628,419 1.445,420 2.5,421 1.486,422 3.845,423 2.411,424 1.42,425 1.5,427 3.087,428 1.406,429 2.5,430 1.376,431 3.677,432 2.17,433 1.201,434 1.5,436 2.963,437 1.157,438 2.442,439 1.142,440 3.596,441 2,442 1,443 1.428,445 2.275,446 1,447 2.276,448 1,449 3.537,450 1.861,451 0.886,452 1.196,454 2.258,455 0.86,456 1.985,457 0.933,458 3.414,459 1.805,460 0.817,461 0.938,463 2.035,464 0.806,465 1.393,466 0.371,467 3.118,468 1.04,469 0.107,470 0.131,472 0.287,473 0.099,474 14.467,475 0.482,476 0.726,477 0.024,478 42.5,479 1.417,480 23.5,481 0.783,482 19,483 0.633,484 25.335,485 0.845,486 29.933,487 0.576,488 31.94,489 1.065,490 7.901,491 0.263,492 6.802,493 0.227,494 0.051,496 0.415,501 0.934,502 0.895,503 0.776,504 0.828,505 1.008,506 0.788,507 0.635,508 1.04,509 0.793,510 1.001,511 0.544,512 0.933,513 0.919,514 1.082,515 0.854,516 0.997,517 0.822,518 0.931,519 1.183,520 1.022,521 1.005,522 0.97,523 0.946,524 0.963,525 1.277,526 1,527 0.994,528 0.906,529 0.826,530 0.911,531 1.334,532 1.028,533 1.096,534 0.962,535 1.016,536 0.99,537 0.958,538 0.991,539 1.047,540 1.009,541 0.899,542 1.028,543 0.514,544 1.115,545 1.099,546 1.22,547 0.805,548 1.229,549 4.5,550 0.066,551 3.556,552 2.375,553 2.782,554 1.347,555 1.048,556 0.637,557 0.295,558 0.203,559 10829,560 24384,561 2.246,562 42.3,563 7,564 10,567 3,568 2,572 1.74,573 2.143,574 3.101,575 0.768,582 72.104,583 1.387,584 3.528,585 4.417,586 5.056,587 5.316,588 5.354,589 2.411,590 4.548,591 4.877,592 3.242,593 1410.4,594 8.572,595 18206.6,600 296.423,601 1.273,602 4.857,603 0.129,604 0.007,605 0.068,606 0.04,607 0.049,608 0.024,609 0.019,610 0.013,611 0.008,612 0.009,613 0.366,614 0.33,615 0.75,616 0.424,617 147.973,618 -0.083,619 0.125,620 0.039,621 0.113,622 -0.126,623 0.097,624 0.112,625 -0.057,626 0.056,627 -0.038,628 0.084,629 -0.006,630 0.006,631 -0.091,632 0.074,633 -0.03,634 0.004,635 0.02,636 -0.021,637 0.013,638 -0.039,639 -0.024,640 -0.032,641 -0.033,642 -0.133,643 0.027,644 -0.022,645 0.046,646 -0.053,647 0.029,648 -0.181,649 0.001,650 -0.132,651 -0.012,652 -0.1,653 -0.057,654 -0.087,655 0.003,656 -0.084,657 -0.034,658 -0.047,659 -0.052,660 0.251,661 -0.168,662 -0.141,663 -0.224,664 0.214,665 -0.228,666 1.423,667 3.838,668 0.933,669 24.107,670 0.994,671 1.107,672 4.708,673 22.17,674 0.703,675 3.584,676 3.97,677 4.357,678 4.736,679 5.112,680 5.313,681 5.598,682 5.872,683 6.082,684 6.184,685 5.463,686 0.668,687 394.5,688 3.584,689 5.165,690 6.071,691 6.997,692 7.923,693 8.86,694 9.796,695 10.738,696 11.679,697 12.625,698 3.8,702 1,708 1,714 2,715 10,716 1,720 9,722 23,733 1,738 1,739 1,741 52,743 23,744 3,745 35,747 57,748 26,749 21,750 6,751 10,756 6,757 16,767 4,768 1,770 4,772 21,773 5,774 1,793 22,794 4,795 3,796 4,802 2,808 0.333,809 2,822 1,829 6,833 4,859 2,868 30,869 1,875 1,876 4,878 1,880 1,893 3.8,895 1,898 1,901 14,902 9.317,903 6.361,904 3.337,907 4.582,908 1.516,909 1.058,910 4.001,911 13.466,912 3.861,913 4.549,914 5.223,915 5.888,916 6.554,917 6.959,918 7.503,919 8.07,920 8.58,921 8.948,922 0.833,923 59,924 11.131,926 5.006,927 0.026,929 7.572,931 21.744,933 19.285,936 2.072,937 62.167,941 223.651,942 138.36,943 49.683,945 53.683,948 138.36,949 277.334,950 49.683,952 10.138,953 127.66,954 59.469,955 39.645,956 4.815,957 223.651,959 223.651,960 188.043,961 53.683,964 223.651,965 53.683,968 12.895,969 158.363,970 16.786,972 223.651,973 103.366,974 138.36,977 223.651,978 43.598,979 94.762,981 103.366,982 223.651,983 103.366,984 138.36,986 0.592,987 0.363,988 0.213,989 0.128,990 30,991 12,992 0.018,993 1,994 4,995 1.286,996 3.98,997 313.937,998 0.286,999 28,1000 143.207,1005 17.788,1006 6.748,1007 2.729,1008 2.206,1009 103.366,1010 19.921,1011 4.962,1015 7.88,1017 75.581,1018 465.377,1019 46.5,1031 51.694,1032 57.567,1034 0.243,1035 0.619,1036 0.775,1037 0.887,1038 0.933,1039 0.939,1040 5.128,1041 1.734,1042 6.075,1043 5.859,1044 4.654,1045 5.236,1046 1.659,1047 6.976,1048 4.609,1049 6.362,1050 1.454,1051 7.682,1052 4.996,1053 4.29,1054 5.13,1055 1.06,1056 8.034,1057 4.215,1058 7.7,1059 1.42,1060 9.393,1061 3.628,1062 6.323,1063 7.528,1064 1.782,1065 11.227,1066 6.239,1067 9.076,1068 1.201,1069 11.166,1070 3.087,1071 6.804,1072 8.249,1073 1.679,1074 13.135,1075 6.695,1076 10.485,1077 1,1078 12.98,1079 2.963,1080 8.303,1081 10.119,1082 2.12,1083 15.859,1084 8.185,1085 11.918,1086 0.886,1087 14.822,1088 2.275,1089 9.177,1090 11.232,1091 2.248,1092 18.117,1093 9.038,1094 13.371,1095 0.817,1096 16.685,1097 2.258,1098 10.475,1099 12.885,1100 2.595,1101 20.691,1102 10.323,1103 3.42,1104 0.107,1105 18.564,1106 2.035,1107 11.531,1108 14.192,1109 2.825,1110 23.097,1111 11.357,1112 3.066,1113 12.627,1114 20.455,1115 0.287,1116 12.757,1117 15.752,1118 3.141,1119 25.625,1120 12.567,1121 2.82,1122 10.753,1123 22.356,1124 4.549,1125 13.895,1126 17.154,1127 3.415,1128 28.094,1129 13.683,1130 2.474,1131 9.688,1132 24.265,1133 4.285,1134 15.101,1135 18.674,1136 3.723,1137 30.611,1138 14.87,1139 2.229,1140 7.815,1141 26.182,1142 3.708,1143 16.276,1144 20.124,1145 4.015,1146 33.109,1147 16.024,1148 2.186,1149 7.229,1150 28.104,1151 3.358,1152 17.479,1153 21.628,1154 4.322,1155 35.627,1156 17.206,1157 1.971,1158 6.426,1159 30.031,1160 2.975,1161 18.673,1162 23.102,1163 4.622,1164 38.14,1165 18.378,1166 9820,1167 14870,1168 24.274,1169 36.534,1170 53.842,1171 54.16,1172 55.43,1173 53.62,1174 53.569,1175 71.178,1176 4.44,1177 163.85,1178 52.291,1179 5.679,1180 5.776,1181 6.861,1182 5.504,1183 5.42,1184 7.549,1185 2.22,1186 20.403,1187 5.348,1188 9.839,1189 1.538,1190 1.547,1191 1.584,1192 1.532,1193 1.531,1194 2.034,1195 0.127,1196 4.681,1197 1.494,1198 4.157,1199 4.173,1200 4.123,1201 4.101,1202 6.471,1203 4.103,1204 3.965,1205 3.995,1206 3.914,1207 3.902,1208 5.141,1209 3.902,1210 3.872,1211 3.899,1212 3.809,1213 3.801,1214 4.936,1215 3.798,1216 3.601,1217 3.64,1218 3.504,1219 3.504,1220 4.702,1221 3.499,1222 3.396,1223 3.448,1224 3.286,1225 3.298,1226 4.597,1227 3.289,1228 3.153,1229 3.23,1230 3.042,1231 2.993,1232 4.354,1233 2.99,1234 3.09,1235 3.139,1236 2.984,1237 2.944,1238 4.171,1239 2.943,1240 3.004,1241 3.039,1242 2.887,1243 2.871,1244 3.893,1245 2.867,1246 0.135,1247 0.108,1248 0.205,1249 0.126,1250 0.098,1251 4.733,1252 0.13,1253 3.776,1254 0.039,1255 7.177,1256 0.361,1257 4.398,1258 0.096,1259 3.42,1260 4.549,1261 1.36,1262 12.627,1263 3.348,1264 2.11,1265 2.097,1266 2.178,1267 2.18,1268 1.434,1269 2.178,1270 1.957,1271 1.93,1272 2.079,1273 2.048,1274 1.343,1275 2.06,1276 1.87,1277 1.843,1278 1.994,1279 1.963,1280 1.148,1281 1.973,1282 1.591,1283 1.557,1284 1.741,1285 1.728,1286 0.898,1287 1.737,1288 1.401,1289 1.356,1290 1.577,1291 1.538,1292 0.749,1293 1.556,1294 1.134,1295 1.066,1296 1.453,1297 1.372,1298 0.68,1299 1.395,1300 1.085,1301 1.033,1302 1.29,1303 1.26,1304 0.464,1305 1.274,1306 0.973,1307 0.94,1308 1.181,1309 1.183,1310 0.293,1311 1.177,1312 4.263,1314 5.631,1316 7.225,1318 8.925,1320 10.683,1326 6.783,1327 9.838,1328 4.194,1330 6.473,1332 -0.089,1340 34.74,1341 72.104,1342 183.455,1343 229.694,1344 262.913,1345 276.423,1346 278.423,1347 43.08,1348 8.884,1349 68.37,1350 68.37,1351 36,1352 13.118,1353 4.585,1354 3.644,1355 37.291,1356 96,1357 110,1358 0.19,1359 205.191,1360 351.14,1361 492.425,1362 94898,1364 20.242,1365 0.675,1366 0.552,1367 20.242,1368 16.559,1369 14.704,1370 0.42,1371 0.3,1372 10.433,1373 14.428,1374 10.231,1375 8.401,1376 14.704,1377 10.5,1378 13.587,1379 0.261,1380 0.158,1381 13.587,1382 8.208,1383 12.457,1384 0.162,1385 0.084,1386 12.457,1387 6.456,1388 11.294,1389 0.1,1390 0.044,1391 11.294,1392 4.987,1393 10.309,1394 0.062,1395 0.023,1396 10.309,1397 3.872,1398 0.282,1399 90.312,1400 0.203,1401 27.18,1402 0.579,1403 174,1404 410.843,1405 183.502,1406 409.273,1407 587.19,1408 386,1409 216,1410 459.965,1411 226.142,1412 468.802,1413 702.12,1414 446,1415 5.106}
{0 CHEMBL2206894,1 1.374,2 8.548,3 5.873,4 34.492,5 123.45,6 7.428,7 0.639,8 4.122,9 4.225,10 3.711,11 3.751,12 5.183,13 3.722,14 4.668,15 4.809,16 4.109,17 4.189,18 5.652,19 4.14,20 4.945,21 5.12,22 4.286,23 4.375,24 5.889,25 4.316,26 5.05,27 5.228,28 4.318,29 4.413,30 6.063,31 4.353,32 5.107,33 5.297,34 4.328,35 4.45,36 6.089,37 4.384,38 5.135,39 5.333,40 4.326,41 4.456,42 6.139,43 4.38,44 5.105,45 5.309,46 4.192,47 4.429,48 6.045,49 4.327,50 5.07,51 5.292,52 3.944,53 4.338,54 5.945,55 4.193,56 0.041,57 0.719,58 11.009,59 5.187,60 10.24,61 6.586,62 0.165,63 1.218,64 20.7,65 9.322,66 18.036,67 11.99,68 0.141,69 1.631,70 28.547,71 12.295,72 23.486,73 16.209,74 0.352,75 1.833,76 32.629,77 12.897,78 42.84,79 16.601,80 0.32,81 1.923,82 35.181,83 13.856,84 42.597,85 17.888,86 0.522,87 1.971,88 36.731,89 14.39,90 54.351,91 18.918,92 0.296,93 1.914,94 35.366,95 14.368,96 42.007,97 18.979,98 0.302,99 1.833,100 34.892,101 14.275,102 42.491,103 19.097,104 6,105 53,106 0.223,107 0.562,108 0.718,109 0.834,110 0.889,111 0.895,112 3.474,113 0.908,114 -6.14,115 -5.98,116 -5.56,121 49.1,123 4,124 1,126 1,144 10,145 6,146 3,148 1,149 1,165 1,166 1,167 1,176 20,179 1,180 8,185 2,187 25,189 2,192 10,197 2,200 23,203 2,206 13,208 2,209 2,211 4,214 22,216 4,219 9,224 3,227 21,229 3,231 2,232 11,234 1,235 1,237 4,239 24,241 4,244 6,249 3,251 26,253 3,256 4,261 2,264 25,266 2,269 2,274 1,277 17,279 1,281 1498,282 21.784,283 21.784,284 21.784,285 21.784,286 21.784,287 19.014,288 21.384,289 12.669,290 22.123,291 17.747,292 17.747,293 17.747,294 17.747,295 17.747,296 13.475,297 25.04,298 5.912,299 18.24,300 4.408,301 2.317,302 1.359,303 0.646,304 0.305,305 0.268,306 4.201,312 1,313 601,314 2.646,318 278.269,322 283.735,325 1.14,326 21.974,329 0.75,330 0.67,331 1,332 0.8,333 0.5,334 1,335 1,336 0.82,337 65,338 265,339 4.743,340 3.795,341 7.208,342 4.412,343 3.434,344 4.552,345 1.36,346 12.75,347 3.362,348 4.488,349 3.239,350 6.681,351 4.051,352 3.066,353 4.289,354 0.86,355 10.753,356 3.019,357 4.264,358 3.16,359 6.478,360 3.895,361 2.915,362 3.861,363 0.86,364 10.054,365 2.857,366 3.886,367 2.795,368 6.016,369 3.51,370 2.539,371 3.354,373 8.462,374 2.46,375 3.585,376 2.567,377 5.742,378 3.195,379 2.209,380 2.974,382 7.493,383 2.175,384 3.446,385 2.372,386 5.379,387 3.065,388 2.142,389 2.736,391 6.662,392 1.967,393 3.226,394 2.119,395 5.094,396 2.814,397 1.845,398 2.532,400 5.599,401 1.785,402 3.006,403 1.798,404 4.566,405 2.59,406 1.606,407 2.204,409 4.343,410 1.58,411 2.917,412 1.606,413 4.182,414 2.462,415 1.491,416 2.086,418 3.403,419 1.437,420 2.835,421 1.516,422 3.827,423 2.412,424 1.421,425 1.983,427 3.094,428 1.407,429 2.497,430 1.399,431 3.678,432 2.361,433 1.362,434 1.497,436 2.993,437 1.36,438 2.42,439 1.365,440 3.635,441 2.125,442 1.151,443 1.398,445 2.926,446 1.115,447 2.263,448 1.103,449 3.583,450 1.859,451 0.883,452 1.183,454 2.228,455 0.858,456 1.99,457 0.941,458 3.505,459 1.777,460 0.789,461 0.933,463 1.952,464 0.778,465 1.642,466 0.892,467 3.111,468 1.356,469 0.474,470 0.538,472 0.757,473 0.414,474 14.967,475 0.483,476 0.672,477 0.022,478 43.25,479 1.395,480 23.5,481 0.758,482 19.75,483 0.637,484 27.376,485 0.883,486 31.233,487 0.568,488 33.214,489 1.071,490 8.161,491 0.263,492 7.097,493 0.229,494 0.06,496 0.401,501 0.884,502 0.977,503 0.774,504 0.914,505 0.983,506 0.84,507 0.955,508 0.97,509 0.825,510 0.922,511 0.79,512 0.875,513 0.914,514 1.079,515 0.81,516 0.984,517 0.838,518 0.901,519 1.377,520 1.049,521 1.024,522 0.991,523 1.256,524 0.969,525 1.448,526 1.037,527 1.014,528 0.952,529 1.308,530 0.935,531 1.184,532 0.997,533 0.988,534 0.939,535 1.093,536 0.941,537 1.19,538 1.059,539 1.109,540 1.047,541 1.143,542 1.063,543 1.113,544 1.056,545 1.265,546 1.149,547 1.252,548 1.209,549 4,550 0.041,551 3.556,552 2.5,553 2.822,554 1.493,555 1.113,556 0.688,557 0.283,558 0.143,559 11414,560 24589,561 2.238,562 43.6,563 7,564 13,567 2,568 2,572 1.749,573 2.138,574 3.058,575 0.097,582 75.554,583 1.374,584 3.464,585 4.423,586 5.136,587 5.477,588 5.513,589 2.404,590 4.954,591 4.927,592 3.202,593 1488.98,594 8.678,595 19682.4,600 317.975,601 1.26,602 4.905,603 0.111,604 0.005,605 0.067,606 0.04,607 0.046,608 0.024,609 0.018,610 0.013,611 0.007,612 0.006,613 0.337,614 0.5,615 0.75,616 0.575,617 153.961,618 -0.026,619 0.056,620 0.064,621 0.046,622 -0.065,623 0.066,624 0.048,625 0.024,626 0.072,627 0.054,628 0.041,629 0.06,630 0.035,631 -0.078,632 0.12,633 -0.012,634 0.049,635 0.051,636 -0.036,637 -0.007,638 -0.055,639 -0.047,640 -0.009,641 -0.053,642 -0.133,643 -0.013,644 -0.035,645 0.002,646 -0.087,647 -0.004,648 0.109,649 0.022,650 -0.001,651 0.018,652 0.119,654 -0.131,655 -0.056,656 -0.141,657 -0.079,658 -0.092,659 -0.105,660 -0.169,661 -0.074,662 -0.291,663 -0.171,664 -0.244,665 -0.23,666 1.431,667 3.031,668 0.903,669 24.333,670 0.992,671 1.109,672 4.91,673 24.105,674 0.696,675 3.611,676 3.989,677 4.394,678 4.779,679 5.147,680 5.357,681 5.635,682 5.903,683 6.129,684 6.223,685 5.423,686 0.659,687 408.53,688 3.611,689 5.187,690 6.098,691 7.026,692 7.957,693 8.896,694 9.836,695 10.781,696 11.725,697 12.673,698 3.6,702 1,708 1,714 2,715 10,716 1,720 9,722 23,733 1,739 2,741 55,743 23,744 3,745 36,747 60,748 27,749 21,750 6,751 10,756 6,757 16,767 4,768 1,770 4,772 21,773 6,774 1,793 24,794 4,795 2,796 4,802 2,808 0.333,809 2,822 1,829 6,833 4,859 2,864 1,868 31,869 1,876 4,878 2,880 1,893 3.6,898 2,901 14.5,902 10.283,903 6.722,904 3.503,907 4.682,908 1.523,909 1.063,910 4.393,911 13.641,912 3.882,913 4.559,914 5.247,915 5.913,916 6.571,917 6.984,918 7.523,919 8.084,920 8.604,921 8.962,922 0.833,923 62,924 11.496,926 5.09,927 0.026,929 7.489,931 22.577,933 19.766,936 1.989,937 61.667,941 258.964,942 154.487,943 49.683,945 22,948 154.487,949 280.964,950 49.683,951 10.883,952 10.138,953 127.66,954 16.786,955 55.888,956 4.815,957 258.964,959 258.964,960 204.17,961 22,964 258.964,965 22,968 12.895,969 174.489,970 16.786,972 258.964,973 71.682,974 154.487,977 258.964,978 48.841,979 105.646,981 71.682,982 258.964,983 71.682,984 154.487,986 0.584,987 0.369,988 0.223,989 0.131,990 30,991 12,992 0.033,993 2,994 4,995 1.286,996 4.003,997 330.491,998 0.286,999 28,1000 151.58,1005 18.708,1006 7.28,1007 2.836,1008 2.234,1009 71.682,1010 20.826,1011 5.009,1015 8.596,1017 32.897,1018 485.134,1019 47.5,1031 54.578,1032 60.983,1034 0.238,1035 0.599,1036 0.765,1037 0.888,1038 0.947,1039 0.954,1040 5.146,1041 1.606,1042 6.098,1043 5.599,1044 4.673,1045 5.247,1046 1.907,1047 7.009,1048 4.621,1049 6.374,1050 1.491,1051 7.71,1052 4.343,1053 4.29,1054 5.13,1055 1.06,1056 8.091,1057 4.215,1058 7.713,1059 1.421,1060 9.428,1061 3.403,1062 6.347,1063 7.54,1064 1.951,1065 11.291,1066 6.255,1067 9.091,1068 1.362,1069 11.211,1070 3.094,1071 6.836,1072 8.272,1073 1.679,1074 13.217,1075 6.721,1076 10.505,1077 1.151,1078 13.033,1079 2.993,1080 8.343,1081 10.142,1082 2.213,1083 15.943,1084 8.214,1085 11.943,1086 0.883,1087 14.884,1088 2.926,1089 9.229,1090 11.267,1091 2.248,1092 18.21,1093 9.079,1094 13.401,1095 0.789,1096 16.753,1097 2.228,1098 10.53,1099 12.918,1100 2.638,1101 20.787,1102 10.365,1103 3.434,1104 0.474,1105 18.637,1106 1.952,1107 11.595,1108 14.232,1109 2.825,1110 23.199,1111 11.408,1112 3.066,1113 12.75,1114 20.533,1115 0.757,1116 12.822,1117 15.789,1118 3.16,1119 25.732,1120 12.619,1121 2.915,1122 10.753,1123 22.438,1124 4.552,1125 13.965,1126 17.195,1127 3.415,1128 28.208,1129 13.741,1130 2.539,1131 10.054,1132 24.35,1133 4.289,1134 15.172,1135 18.712,1136 3.731,1137 30.732,1138 14.929,1139 2.209,1140 8.462,1141 26.269,1142 3.861,1143 16.351,1144 20.162,1145 4.015,1146 33.238,1147 16.087,1148 2.142,1149 7.493,1150 28.193,1151 3.354,1152 17.556,1153 21.665,1154 4.325,1155 35.764,1156 17.271,1157 1.845,1158 6.662,1159 30.123,1160 2.974,1161 18.752,1162 23.137,1163 4.622,1164 38.285,1165 18.447,1166 10412,1167 15430,1168 24.967,1169 38.296,1170 54.938,1171 55.602,1172 57.12,1173 54.796,1174 54.845,1175 72.466,1176 6.16,1177 167.439,1178 53.32,1179 5.688,1180 5.795,1181 6.899,1182 5.518,1183 5.434,1184 7.552,1185 2.22,1186 20.526,1187 5.362,1188 9.883,1189 1.526,1190 1.544,1191 1.587,1192 1.522,1193 1.523,1194 2.013,1195 0.171,1196 4.651,1197 1.481,1198 4.158,1199 4.174,1200 4.124,1201 4.102,1202 5.143,1203 4.104,1204 3.966,1205 3.995,1206 3.915,1207 3.903,1208 4.942,1209 3.902,1210 3.878,1211 3.904,1212 3.816,1213 3.803,1214 4.837,1215 3.802,1216 3.6,1217 3.641,1218 3.501,1219 3.505,1220 4.699,1221 3.499,1222 3.396,1223 3.448,1224 3.286,1225 3.298,1226 4.391,1227 3.289,1228 3.249,1229 3.315,1230 3.063,1231 2.994,1232 4.354,1233 2.991,1234 3.153,1235 3.23,1236 3.041,1237 2.97,1238 4.173,1239 2.979,1240 3.077,1241 3.133,1242 2.954,1243 2.94,1244 3.893,1245 2.934,1246 0.132,1247 0.105,1248 0.2,1249 0.123,1250 0.095,1251 4.743,1252 0.126,1253 3.795,1254 0.038,1255 7.208,1256 0.354,1257 4.412,1258 0.093,1259 3.434,1260 4.552,1261 1.36,1262 12.75,1263 3.362,1264 2.11,1265 2.097,1266 2.177,1267 2.18,1268 1.435,1269 2.178,1270 1.957,1271 1.93,1272 2.079,1273 2.048,1274 1.343,1275 2.06,1276 1.872,1277 1.846,1278 1.997,1279 1.969,1280 1.152,1281 1.978,1282 1.594,1283 1.558,1284 1.749,1285 1.729,1286 0.909,1287 1.74,1288 1.401,1289 1.356,1290 1.577,1291 1.539,1292 0.75,1293 1.556,1294 1.197,1295 1.125,1296 1.573,1297 1.512,1298 0.681,1299 1.532,1300 1.134,1301 1.066,1302 1.453,1303 1.372,1304 0.574,1305 1.395,1306 1.085,1307 1.03,1308 1.299,1309 1.253,1310 0.475,1311 1.272,1312 4.29,1314 5.652,1316 7.248,1318 8.953,1320 10.717,1322 1.717,1326 6.853,1328 4.231,1330 12.298,1332 -0.098,1340 36.267,1341 75.554,1342 190.517,1343 243.246,1344 282.465,1345 301.22,1346 303.22,1347 42.829,1348 8.959,1349 57.37,1350 57.37,1351 36,1352 13.165,1353 4.585,1354 3.644,1355 38.982,1356 98,1357 102,1358 0.193,1359 214.783,1360 368.44,1361 515.831,1362 104355,1364 20.949,1365 0.676,1366 0.565,1367 20.949,1368 17.52,1369 15.258,1370 0.424,1371 0.303,1372 10.801,1373 14.901,1374 10.548,1375 8.696,1376 15.258,1377 10.895,1378 13.684,1379 0.258,1380 0.158,1381 13.684,1382 8.359,1383 12.839,1384 0.16,1385 0.083,1386 12.839,1387 6.679,1388 11.812,1389 0.1,1390 0.044,1391 11.812,1392 5.201,1393 10.6,1394 0.062,1395 0.023,1396 10.6,1397 4,1398 0.286,1399 94.179,1400 0.2,1401 27.791,1402 0.595,1403 178,1404 426.428,1405 188.277,1406 419.074,1407 604.45,1408 398,1409 222,1410 472.48,1411 233.47,1412 481.968,1413 722.68,1414 457,1415 5.344}
{0 CHEMBL2206895,1 1.429,2 8.875,3 5.606,4 31.423,5 125.145,6 7.581,7 0.622,8 4.148,9 4.246,10 3.743,11 3.756,12 5.251,13 3.737,14 4.684,15 4.819,16 4.151,17 4.197,18 5.714,19 4.159,20 4.969,21 5.135,22 4.33,23 4.387,24 6.005,25 4.337,26 5.078,27 5.257,28 4.326,29 4.419,30 6.122,31 4.359,32 5.118,33 5.31,34 4.301,35 4.434,36 6.117,37 4.366,38 5.1,39 5.295,40 4.287,41 4.424,42 6.094,43 4.353,44 5.093,45 5.294,46 4.266,47 4.408,48 6.1,49 4.325,50 5.053,51 5.245,52 4.13,53 4.346,54 6.117,55 4.238,56 0.043,57 0.739,58 11.035,59 5.308,60 11.508,61 6.467,62 0.144,63 1.241,64 20.5,65 9.448,66 17.342,67 11.863,68 0.232,69 1.662,70 28.78,71 12.45,72 34.875,73 16.046,74 0.348,75 1.877,76 33.268,77 13.273,78 48.339,79 16.92,80 0.38,81 1.929,82 35.729,83 13.905,84 53.032,85 17.699,86 0.315,87 1.908,88 34.816,89 13.78,90 45.617,91 17.791,92 0.442,93 1.862,94 34.901,95 14.222,96 44.271,97 18.778,98 0.372,99 1.763,100 32.849,101 14.02,102 57.534,103 18.38,104 11,105 55,106 0.231,107 0.591,108 0.76,109 0.854,110 0.891,111 0.897,112 3.504,113 0.894,114 -5.35,115 -5.24,116 -4.89,121 48.2,123 4,124 1,126 1,144 9,145 6,146 4,148 1,149 1,165 1,166 1,167 1,176 19,179 1,180 7,185 3,187 24,189 2,192 9,195 1,197 4,200 23,203 2,206 12,208 2,209 2,211 5,214 20,216 4,219 12,224 5,227 21,229 4,232 7,237 5,239 23,241 3,243 2,244 4,246 1,247 1,249 3,251 24,253 2,256 3,259 2,260 1,261 5,263 1,264 20,266 2,269 4,274 4,277 11,279 1,281 1694,282 22.231,283 22.231,284 22.231,285 22.231,286 22.231,287 19.437,288 23.631,289 12.764,290 22.605,291 18.214,292 18.214,293 18.214,294 18.214,295 18.214,296 13.879,297 27.918,298 5.957,299 18.782,300 4.378,301 2.158,302 1.108,303 0.527,304 0.299,305 0.263,306 4.228,312 1,313 640,314 2.739,318 296.918,322 303.925,325 1.148,326 28.699,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 68,338 284,339 4.736,340 3.779,341 7.179,342 4.4,343 3.422,344 4.55,345 1.36,346 12.633,347 3.351,348 4.488,349 3.232,350 6.68,351 4.051,352 3.066,353 4.287,354 0.86,355 10.753,356 3.019,357 4.27,358 3.159,359 6.386,360 3.878,361 2.905,362 3.913,363 0.86,364 9.745,365 2.836,366 4,367 2.979,368 6.049,369 3.65,370 2.681,371 3.451,373 8.637,374 2.583,375 3.589,376 2.653,377 5.809,378 3.229,379 2.279,380 2.977,382 7.701,383 2.189,384 3.559,385 2.376,386 5.557,387 3.162,388 2.195,389 2.878,391 7.096,392 2.093,393 3.346,394 2.194,395 5.252,396 2.953,397 1.993,398 2.632,400 6.179,401 1.901,402 3.195,403 1.984,404 4.842,405 2.727,406 1.739,407 2.515,409 5.06,410 1.715,411 2.912,412 1.898,413 4.325,414 2.467,415 1.532,416 2.102,418 3.841,419 1.449,420 2.882,421 1.578,422 4.203,423 2.446,424 1.454,425 2.02,427 3.637,428 1.417,429 2.5,430 1.486,431 3.85,432 2.411,433 1.42,434 1.5,436 3.087,437 1.406,438 2.442,439 1.376,440 3.677,441 2.17,442 1.201,443 1.429,445 2.963,446 1.157,447 2.276,448 1.141,449 3.598,450 1.861,451 0.887,452 1.196,454 2.26,455 0.86,456 1.989,457 0.944,458 3.542,459 1.807,460 0.819,461 0.941,463 2.042,464 0.807,465 1.715,466 0.93,467 3.13,468 1.411,469 0.528,470 0.609,472 0.898,473 0.461,474 15.3,475 0.478,476 0.778,477 0.024,478 44.5,479 1.391,480 24,481 0.75,482 20.5,483 0.641,484 28.409,485 0.888,486 32.7,487 0.584,488 35.273,489 1.102,490 8.401,491 0.263,492 7.251,493 0.227,494 0.081,496 0.425,501 0.921,502 0.965,503 0.774,504 0.898,505 0.995,506 0.825,507 0.85,508 0.981,509 0.787,510 0.931,511 0.642,512 0.868,513 0.806,514 1.093,515 0.82,516 1.003,517 0.737,518 0.928,519 1.136,520 1.06,521 1.022,522 1.009,523 1.014,524 0.996,525 1.288,526 1.001,527 1.045,528 0.918,529 1.101,530 0.938,531 1.132,532 1.027,533 1.014,534 0.961,535 0.962,536 0.963,537 0.804,538 0.97,539 0.928,540 0.979,541 0.773,542 0.97,543 0.776,544 1.199,545 1.117,546 1.257,547 0.859,548 1.244,549 5,550 0.107,551 4,552 2.688,553 2.933,554 1.465,555 1.193,556 0.806,557 0.479,558 0.272,559 12551,560 29406,561 2.21,562 42.9,563 7,564 12,567 3,568 2,572 1.757,573 2.087,574 3.133,575 0.76,582 80.036,583 1.429,584 3.65,585 4.7,586 5.28,587 5.508,588 5.544,589 2.426,590 4.563,591 4.971,592 3.287,593 1630.55,594 8.763,595 22144.7,600 325.212,601 1.348,602 4.942,603 0.135,604 0.007,605 0.073,606 0.042,607 0.047,608 0.024,609 0.02,610 0.014,611 0.01,612 0.009,613 0.381,614 0.33,615 0.88,616 0.633,617 161.338,618 -0.071,619 0.084,620 0.044,621 0.077,622 -0.116,623 0.08,624 0.029,625 0.025,626 0.084,627 0.057,628 0.043,629 0.072,630 0.095,631 -0.084,632 0.094,633 -0.024,634 0.099,635 0.025,636 -0.056,637 -0.019,638 -0.072,639 -0.056,640 -0.045,641 -0.065,642 -0.169,643 0.025,644 -0.073,645 0.042,646 -0.135,647 0.006,648 -0.121,649 0.001,650 -0.054,651 0.001,652 -0.08,653 -0.012,654 0.13,655 0.027,656 0.034,658 0.086,659 0.004,660 0.135,661 -0.23,662 -0.17,663 -0.27,664 0.164,665 -0.266,666 1.557,667 4.191,668 0.875,669 26.688,670 0.998,671 1.111,672 4.122,673 16.991,674 0.692,675 3.638,676 4.025,677 4.419,678 4.787,679 5.153,680 5.366,681 5.659,682 5.932,683 6.155,684 6.275,685 5.69,686 0.66,687 424.53,688 3.638,689 5.22,690 6.129,691 7.055,692 7.983,693 8.919,694 9.856,695 10.797,696 11.739,697 12.684,698 3.6,702 1,708 1,714 2,715 9,716 1,720 10,722 23,733 1,738 1,739 2,741 56,743 23,744 3,745 37,747 61,748 27,749 21,750 7,751 9,756 6,757 16,767 4,768 1,770 4,772 21,773 6,774 1,793 24,794 5,795 3,796 5,802 2,808 0.333,809 3,822 1,829 6,833 4,859 2,864 1,868 32,869 1,875 1,876 4,878 2,880 1,893 5.4,895 1,898 2,901 15.333,902 10.4,903 6.889,904 3.497,907 4.656,908 1.516,909 1.038,910 4.597,911 13.685,912 3.902,913 4.59,914 5.27,915 5.929,916 6.587,917 7.004,918 7.547,919 8.109,920 8.629,921 9.012,922 0.833,923 64,924 11.874,926 5.301,927 0.026,929 7.604,931 23.053,933 20.177,936 2.104,937 67.333,941 247.193,942 145.011,943 49.683,945 64.683,948 145.011,949 311.876,950 49.683,951 10.883,952 10.138,953 118.183,954 59.469,955 55.888,956 4.815,957 247.193,959 247.193,960 194.693,961 64.683,964 247.193,965 64.683,968 12.895,969 165.013,970 16.786,972 247.193,973 114.366,974 145.011,977 247.193,978 48.841,979 96.169,981 114.366,982 247.193,983 114.366,984 145.011,986 0.59,987 0.371,988 0.215,989 0.124,990 31,991 13,992 0.033,993 2,994 4,995 1.286,996 4.078,997 342.449,998 0.286,999 28,1000 160,1005 19.596,1006 7.507,1007 3.016,1008 2.159,1009 114.366,1010 17.93,1011 4.973,1015 7.845,1017 75.581,1018 506.57,1019 48.5,1031 55.905,1032 62.192,1034 0.246,1035 0.628,1036 0.809,1037 0.909,1038 0.948,1039 0.955,1040 5.175,1041 1.739,1042 6.138,1043 6.179,1044 4.71,1045 5.278,1046 1.907,1047 7.045,1048 4.652,1049 6.411,1050 1.532,1051 7.751,1052 5.06,1053 4.369,1054 5.207,1055 1.06,1056 8.113,1057 4.284,1058 7.754,1059 1.454,1060 9.468,1061 3.841,1062 6.389,1063 7.578,1064 1.951,1065 11.296,1066 6.287,1067 9.135,1068 1.42,1069 11.245,1070 3.637,1071 6.889,1072 8.326,1073 1.679,1074 13.196,1075 6.761,1076 10.549,1077 1.201,1078 13.06,1079 3.087,1080 8.376,1081 10.178,1082 2.213,1083 15.912,1084 8.237,1085 11.986,1086 0.887,1087 14.902,1088 2.963,1089 9.259,1090 11.306,1091 2.248,1092 18.159,1093 9.096,1094 13.441,1095 0.819,1096 16.762,1097 2.26,1098 10.548,1099 12.947,1100 2.638,1101 20.727,1102 10.372,1103 3.422,1104 0.528,1105 18.638,1106 2.042,1107 11.606,1108 14.26,1109 2.825,1110 23.124,1111 11.407,1112 3.066,1113 12.633,1114 20.525,1115 0.898,1116 12.825,1117 15.812,1118 3.16,1119 25.648,1120 12.612,1121 2.905,1122 10.753,1123 22.421,1124 4.55,1125 13.961,1126 17.215,1127 3.415,1128 28.112,1129 13.726,1130 2.681,1131 9.745,1132 24.325,1133 4.287,1134 15.16,1135 18.729,1136 3.731,1137 30.627,1138 14.908,1139 2.279,1140 8.637,1141 26.237,1142 3.913,1143 16.332,1144 20.177,1145 4.015,1146 33.123,1147 16.059,1148 2.195,1149 7.701,1150 28.154,1151 3.451,1152 17.53,1153 21.677,1154 4.325,1155 35.64,1156 17.239,1157 1.993,1158 7.096,1159 30.077,1160 2.977,1161 18.721,1162 23.147,1163 4.622,1164 38.151,1165 18.409,1166 11511,1167 17761,1168 25.372,1169 38.75,1170 56.625,1171 57.491,1172 59.024,1173 56.445,1174 56.448,1175 74.253,1176 6.16,1177 173.62,1178 54.682,1179 5.681,1180 5.779,1181 6.862,1182 5.506,1183 5.422,1184 7.55,1185 2.22,1186 20.409,1187 5.351,1188 12.658,1189 1.53,1190 1.554,1191 1.595,1192 1.526,1193 1.526,1194 2.007,1195 0.166,1196 4.692,1197 1.478,1198 4.158,1199 4.174,1200 4.124,1201 4.102,1202 6.47,1203 4.104,1204 3.966,1205 3.995,1206 3.916,1207 3.903,1208 5.141,1209 3.903,1210 3.884,1211 3.903,1212 3.832,1213 3.801,1214 4.938,1215 3.804,1216 3.607,1217 3.644,1218 3.513,1219 3.506,1220 4.757,1221 3.503,1222 3.397,1223 3.448,1224 3.287,1225 3.298,1226 4.698,1227 3.289,1228 3.249,1229 3.313,1230 3.084,1231 3.007,1232 4.39,1233 3.01,1234 3.153,1235 3.23,1236 3.039,1237 2.969,1238 4.311,1239 2.976,1240 3.081,1241 3.132,1242 2.956,1243 2.931,1244 4.169,1245 2.924,1246 0.128,1247 0.102,1248 0.194,1249 0.119,1250 0.092,1251 4.736,1252 0.123,1253 3.779,1254 0.037,1255 7.179,1256 0.341,1257 4.4,1258 0.091,1259 3.422,1260 4.55,1261 1.36,1262 12.633,1263 3.351,1264 2.11,1265 2.097,1266 2.177,1267 2.18,1268 1.434,1269 2.178,1270 1.956,1271 1.93,1272 2.079,1273 2.048,1274 1.343,1275 2.06,1276 1.866,1277 1.844,1278 1.977,1279 1.97,1280 1.149,1281 1.971,1282 1.592,1283 1.559,1284 1.738,1285 1.734,1286 0.897,1287 1.74,1288 1.401,1289 1.356,1290 1.577,1291 1.542,1292 0.749,1293 1.558,1294 1.199,1295 1.13,1296 1.567,1297 1.503,1298 0.68,1299 1.524,1300 1.134,1301 1.064,1302 1.453,1303 1.372,1304 0.574,1305 1.395,1306 1.078,1307 1.025,1308 1.286,1309 1.257,1310 0.457,1311 1.27,1312 4.317,1314 5.687,1316 7.283,1318 8.985,1320 10.744,1322 1.56,1326 6.822,1327 10.191,1328 4.113,1330 11.913,1332 -0.174,1340 36.982,1341 80.036,1342 204.379,1343 263.173,1344 295.702,1345 308.457,1346 310.457,1347 49.582,1348 9.029,1349 77.6,1350 77.6,1351 36,1352 13.177,1353 4.585,1354 3.644,1355 40.831,1356 105,1357 112,1358 0.187,1359 218.779,1360 377.23,1361 525.581,1362 113272,1364 21.819,1365 0.682,1366 0.559,1367 21.819,1368 17.89,1369 15.652,1370 0.423,1371 0.298,1372 10.92,1373 15.228,1374 10.674,1375 8.787,1376 15.652,1377 11.029,1378 14.286,1379 0.26,1380 0.155,1381 14.286,1382 8.548,1383 13.324,1384 0.162,1385 0.083,1386 13.324,1387 6.766,1388 11.993,1389 0.101,1390 0.044,1391 11.993,1392 5.194,1393 10.684,1394 0.062,1395 0.023,1396 10.684,1397 3.989,1398 0.278,1399 97.119,1400 0.199,1401 28.659,1402 0.567,1403 184,1404 466.578,1405 196.381,1406 455.534,1407 648.18,1408 430,1409 229,1410 501.51,1411 242.574,1412 510.395,1413 763.51,1414 483,1415 6.481}
{0 CHEMBL2206896,1 1.415,2 9.303,3 5.857,4 34.3,5 129.914,6 7.433,7 0.605,8 4.193,9 4.294,10 3.778,11 3.789,12 5.266,13 3.768,14 4.742,15 4.886,16 4.17,17 4.221,18 5.736,19 4.182,20 4.989,21 5.154,22 4.352,23 4.416,24 5.956,25 4.367,26 5.117,27 5.289,28 4.391,29 4.474,30 6.147,31 4.415,32 5.194,33 5.389,34 4.397,35 4.509,36 6.166,37 4.443,38 5.212,39 5.4,40 4.397,41 4.505,42 6.224,43 4.44,44 5.181,45 5.376,46 4.304,47 4.499,48 6.128,49 4.409,50 5.206,51 5.428,52 4.169,53 4.442,54 6.124,55 4.319,56 0.032,57 0.78,58 11.946,59 5.681,60 11.176,61 7.064,62 0.215,63 1.307,64 22.965,65 10.037,66 22.622,67 12.612,68 0.153,69 1.705,70 29.758,71 12.797,72 25.204,73 16.553,74 0.443,75 1.952,76 34.821,77 13.875,78 48.025,79 17.882,80 0.331,81 2.082,82 38.86,83 15.25,84 46.521,85 19.86,86 0.634,87 2.086,88 40.137,89 15.247,90 61.865,91 19.524,92 0.293,93 2.05,94 37.952,95 15.464,96 42.613,97 20.29,98 0.535,99 2.054,100 40.74,101 16.252,102 55.926,103 21.783,104 14,105 56,106 0.227,107 0.561,108 0.729,109 0.828,110 0.868,111 0.89,112 3.534,113 0.901,114 -5.55,115 -5.42,116 -5.06,121 47.5,123 4,124 1,126 2,144 9,145 6,146 4,148 1,149 1,165 1,166 1,167 1,176 18,179 1,180 10,185 2,187 24,189 2,192 10,197 2,200 22,203 2,205 1,206 14,208 2,209 2,211 4,214 21,216 4,219 10,224 3,227 19,229 3,231 2,232 13,234 1,235 1,237 4,239 23,241 4,244 5,249 2,251 23,253 2,255 2,256 7,258 1,259 1,261 2,264 22,266 2,269 5,274 1,277 13,279 1,281 1863,282 23.102,283 23.102,284 23.102,285 23.102,286 23.102,287 20.359,288 25.697,289 13.308,290 23.619,291 18.657,292 18.657,293 18.657,294 18.657,295 18.657,296 14.308,297 30.854,298 6.138,299 19.337,300 4.467,301 2.38,302 1.335,303 0.716,304 0.466,305 0.331,306 4.257,312 1,313 690,314 2.915,318 309.755,322 315.396,325 1.258,326 25.761,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 70,338 307,339 4.744,340 3.797,341 7.209,342 4.414,343 3.435,344 4.552,345 1.36,346 12.753,347 3.363,348 4.489,349 3.246,350 6.681,351 4.051,352 3.066,353 4.291,354 0.86,355 10.753,356 3.019,357 4.306,358 3.181,359 6.484,360 3.921,361 2.946,362 3.943,363 0.86,364 10.088,365 2.874,366 3.94,367 2.877,368 6.038,369 3.576,370 2.603,371 3.402,372 0.86,373 8.582,374 2.524,375 3.587,376 2.668,377 5.751,378 3.215,379 2.269,380 2.975,382 7.54,383 2.181,384 3.558,385 2.512,386 5.419,387 3.164,388 2.198,389 2.876,391 6.874,392 2.077,393 3.401,394 2.371,395 5.239,396 3.012,397 2.084,398 2.685,400 6.337,401 1.929,402 3.216,403 2.118,404 5.034,405 2.79,406 1.826,407 2.526,409 5.487,410 1.757,411 2.985,412 1.773,413 4.552,414 2.578,415 1.604,416 2.166,418 4.318,419 1.554,420 2.857,421 1.566,422 4.195,423 2.412,424 1.422,425 2.009,427 3.424,428 1.407,429 2.501,430 1.481,431 3.832,432 2.392,433 1.404,434 1.501,436 3.083,437 1.383,438 2.451,439 1.376,440 3.677,441 2.162,442 1.193,443 1.439,445 2.961,446 1.15,447 2.292,448 1.19,449 3.596,450 1.867,451 0.895,452 1.212,454 2.268,455 0.866,456 2.027,457 1.062,458 3.541,459 1.839,460 0.854,461 0.983,463 2.074,464 0.838,465 1.676,466 0.941,467 3.159,468 1.39,469 0.495,470 0.564,472 0.896,473 0.438,474 15.8,475 0.479,476 0.74,477 0.022,478 45.25,479 1.371,480 24,481 0.727,482 21.25,483 0.644,484 30.375,485 0.92,486 34,487 0.576,488 36.378,489 1.102,490 8.646,491 0.262,492 7.544,493 0.229,494 0.089,496 0.411,501 0.883,502 1.041,503 0.772,504 0.976,505 0.963,506 0.874,507 1.086,508 0.919,509 0.817,510 0.861,511 0.855,512 0.819,513 0.932,514 1.09,515 0.826,516 0.992,517 0.865,518 0.91,519 1.087,520 1.084,521 1.018,522 1.034,523 1.144,524 1.014,525 1.184,526 1.042,527 0.962,528 0.961,529 1.157,530 0.932,531 1.334,532 0.976,533 1.049,534 0.917,535 1.218,536 0.94,537 1.05,538 1.101,539 1.076,540 1.088,541 1.087,542 1.082,543 0.887,544 0.999,545 1.095,546 1.075,547 0.985,548 1.105,549 5,550 0.115,551 3.778,552 2.688,553 3.133,554 1.722,555 1.272,556 0.877,557 0.414,558 0.29,559 13404,560 30371,561 2.203,562 44.1,563 7,564 15,567 2,568 2,572 1.765,573 2.084,574 3.168,575 0.102,582 83.504,583 1.415,584 3.503,585 4.547,586 5.166,587 5.416,588 5.552,589 2.6,590 5.044,591 5.014,592 3.319,593 1752.36,594 8.855,595 24173.8,600 347.076,601 1.337,602 4.987,603 0.132,604 0.007,605 0.067,606 0.041,607 0.047,608 0.026,609 0.019,610 0.015,611 0.008,612 0.009,613 0.371,614 0.33,615 0.75,616 0.712,617 167.892,618 -0.027,619 0.021,620 0.067,621 0.016,622 -0.058,623 0.051,624 -0.02,625 0.092,626 0.096,627 0.133,628 0.032,629 0.127,630 -0.012,631 -0.069,632 0.091,633 -0.006,634 0.016,635 0.046,636 0.044,637 -0.034,638 -0.068,639 -0.076,640 0.008,641 -0.085,642 -0.092,643 -0.018,644 0.009,645 0.005,646 -0.046,647 0.019,648 -0.017,649 0.046,650 -0.057,651 0.043,652 0.01,653 -0.005,654 -0.098,655 -0.09,656 -0.125,657 -0.112,658 -0.097,659 -0.118,660 0.074,661 -0.02,662 -0.112,663 -0.092,664 0.007,665 -0.12,666 1.492,667 3.051,668 0.848,669 27.923,670 0.996,671 1.112,672 4.32,673 18.665,674 0.687,675 3.664,676 4.043,677 4.443,678 4.82,679 5.193,680 5.412,681 5.69,682 5.964,683 6.192,684 6.306,685 5.772,686 0.653,687 438.56,688 3.664,689 5.242,690 6.151,691 7.077,692 8.007,693 8.945,694 9.884,695 10.829,696 11.772,697 12.72,698 3.4,702 1,708 1,714 2,715 9,716 1,720 10,722 23,733 1,739 3,741 59,743 23,744 3,745 38,747 64,748 28,749 21,750 7,751 9,756 6,757 16,767 4,768 1,770 4,772 21,773 7,774 1,793 26,794 5,795 2,796 5,802 2,808 0.333,809 3,822 1,829 6,833 4,859 2,864 2,868 33,869 1,876 4,878 3,880 1,893 5.1,898 3,901 15.833,902 11.367,903 7.222,904 3.656,907 4.721,908 1.519,909 1.043,910 5.007,911 13.815,912 3.922,913 4.6,914 5.286,915 5.949,916 6.609,917 7.031,918 7.565,919 8.125,920 8.647,921 9.025,922 1,923 66,924 12.229,926 5.371,927 0.026,929 7.525,931 23.886,933 20.653,936 2.025,937 66.833,941 282.506,942 161.137,943 49.683,945 33,948 161.137,949 315.506,950 49.683,951 21.766,952 10.138,953 118.183,954 16.786,955 72.132,956 4.815,957 282.506,959 282.506,960 210.82,961 33,964 282.506,965 33,968 12.895,969 181.139,970 16.786,972 282.506,973 82.682,974 161.137,977 282.506,978 54.085,979 107.052,981 82.682,982 282.506,983 82.682,984 161.137,986 0.584,987 0.37,988 0.219,989 0.13,990 31,991 13,992 0.047,993 3,994 4,995 1.286,996 4.128,997 357.545,998 0.286,999 28,1000 166.465,1005 20.523,1006 8.051,1007 3.201,1008 2.197,1009 82.682,1010 18.538,1011 5.018,1015 9.01,1017 32.897,1018 526.326,1019 49.5,1031 58.789,1032 65.607,1034 0.241,1035 0.595,1036 0.773,1037 0.878,1038 0.921,1039 0.944,1040 5.192,1041 1.826,1042 6.155,1043 6.337,1044 4.727,1045 5.288,1046 2.106,1047 7.064,1048 4.664,1049 6.423,1050 1.604,1051 7.768,1052 5.487,1053 4.369,1054 5.207,1055 1.06,1056 8.139,1057 4.284,1058 7.764,1059 1.422,1060 9.484,1061 4.318,1062 6.405,1063 7.585,1064 2.096,1065 11.328,1066 6.298,1067 9.144,1068 1.404,1069 11.261,1070 3.424,1071 6.899,1072 8.332,1073 1.679,1074 13.241,1075 6.77,1076 10.558,1077 1.193,1078 13.078,1079 3.083,1080 8.393,1081 10.185,1082 2.298,1083 15.964,1084 8.25,1085 11.996,1086 0.895,1087 14.923,1088 2.961,1089 9.276,1090 11.314,1091 2.248,1092 18.223,1093 9.114,1094 13.452,1095 0.854,1096 16.787,1097 2.268,1098 10.57,1099 12.956,1100 2.68,1101 20.799,1102 10.393,1103 3.435,1104 0.495,1105 18.666,1106 2.074,1107 11.631,1108 14.271,1109 2.825,1110 23.207,1111 11.434,1112 3.066,1113 12.753,1114 20.557,1115 0.896,1116 12.855,1117 15.823,1118 3.179,1119 25.74,1120 12.642,1121 2.946,1122 10.753,1123 22.458,1124 4.552,1125 13.995,1126 17.227,1127 3.415,1128 28.214,1129 13.761,1130 2.603,1131 10.088,1132 24.367,1133 4.291,1134 15.199,1135 18.742,1136 3.739,1137 30.738,1138 14.948,1139 2.269,1140 8.582,1141 26.284,1142 3.943,1143 16.376,1144 20.191,1145 4.015,1146 33.243,1147 16.104,1148 2.198,1149 7.54,1150 28.206,1151 3.402,1152 17.578,1153 21.691,1154 4.328,1155 35.768,1156 17.287,1157 2.084,1158 6.874,1159 30.133,1160 2.975,1161 18.774,1162 23.162,1163 4.622,1164 38.289,1165 18.461,1166 12354,1167 18744,1168 26.065,1169 40.512,1170 57.69,1171 58.789,1172 60.554,1173 57.599,1174 57.699,1175 75.502,1176 7.88,1177 176.711,1178 55.681,1179 5.69,1180 5.797,1181 6.892,1182 5.52,1183 5.435,1184 7.552,1185 2.22,1186 20.529,1187 5.363,1188 12.922,1189 1.518,1190 1.547,1191 1.594,1192 1.516,1193 1.518,1194 1.987,1195 0.207,1196 4.65,1197 1.465,1198 4.159,1199 4.175,1200 4.126,1201 4.102,1202 5.144,1203 4.105,1204 3.967,1205 3.996,1206 3.917,1207 3.903,1208 4.949,1209 3.903,1210 3.888,1211 3.908,1212 3.836,1213 3.804,1214 4.89,1215 3.807,1216 3.608,1217 3.646,1218 3.511,1219 3.508,1220 4.7,1221 3.504,1222 3.397,1223 3.449,1224 3.287,1225 3.298,1226 4.576,1227 3.289,1228 3.301,1229 3.353,1230 3.15,1231 3.03,1232 4.367,1233 3.044,1234 3.193,1235 3.268,1236 3.041,1237 2.979,1238 4.207,1239 2.983,1240 3.153,1241 3.23,1242 3.003,1243 2.946,1244 4.162,1245 2.947,1246 0.125,1247 0.1,1248 0.19,1249 0.116,1250 0.09,1251 4.744,1252 0.12,1253 3.797,1254 0.036,1255 7.209,1256 0.336,1257 4.414,1258 0.089,1259 3.435,1260 4.552,1261 1.36,1262 12.753,1263 3.363,1264 2.11,1265 2.097,1266 2.176,1267 2.18,1268 1.435,1269 2.178,1270 1.956,1271 1.931,1272 2.079,1273 2.048,1274 1.344,1275 2.06,1276 1.868,1277 1.847,1278 1.979,1279 1.975,1280 1.153,1281 1.975,1282 1.594,1283 1.56,1284 1.746,1285 1.736,1286 0.909,1287 1.744,1288 1.401,1289 1.356,1290 1.588,1291 1.558,1292 0.75,1293 1.566,1294 1.227,1295 1.166,1296 1.577,1297 1.537,1298 0.681,1299 1.554,1300 1.165,1301 1.088,1302 1.543,1303 1.453,1304 0.584,1305 1.485,1306 1.133,1307 1.062,1308 1.453,1309 1.372,1310 0.563,1311 1.395,1312 4.344,1314 5.707,1316 7.3,1318 9.003,1320 10.763,1322 3.349,1326 6.885,1328 4.164,1330 17.832,1332 -0.158,1340 38.509,1341 83.504,1342 206.659,1343 268.282,1344 304.811,1345 319.566,1346 327.566,1347 48.106,1348 9.095,1349 66.6,1350 66.6,1351 36,1352 13.212,1353 4.585,1354 3.644,1355 42.646,1356 109,1357 138,1358 0.187,1359 228.372,1360 394.53,1361 548.987,1362 122755,1364 22.526,1365 0.683,1366 0.571,1367 22.526,1368 18.851,1369 16.19,1370 0.426,1371 0.3,1372 11.282,1373 15.676,1374 10.984,1375 9.072,1376 16.19,1377 11.418,1378 14.487,1379 0.259,1380 0.156,1381 14.487,1382 8.725,1383 13.598,1384 0.162,1385 0.083,1386 13.598,1387 6.981,1388 12.294,1389 0.1,1390 0.044,1391 12.294,1392 5.353,1393 11.084,1394 0.062,1395 0.023,1396 11.084,1397 4.128,1398 0.278,1399 100.885,1400 0.196,1401 29.372,1402 0.569,1403 188,1404 482.164,1405 201.156,1406 465.44,1407 664.82,1408 442,1409 234,1410 513.026,1411 248.128,1412 522.645,1413 780.5,1414 493,1415 6.432}
{0 CHEMBL2206897,1 1.446,2 9.429,3 5.84,4 34.108,5 136.377,6 7.438,7 0.575,8 4.259,9 4.358,10 3.84,11 3.826,12 5.344,13 3.812,14 4.811,15 4.957,16 4.228,17 4.251,18 5.806,19 4.222,20 5.033,21 5.186,22 4.437,23 4.455,24 6.045,25 4.417,26 5.181,27 5.347,28 4.484,29 4.526,30 6.227,31 4.48,32 5.291,33 5.471,34 4.455,35 4.567,36 6.287,37 4.511,38 5.287,39 5.475,40 4.434,41 4.576,42 6.254,43 4.504,44 5.325,45 5.544,46 4.466,47 4.576,48 6.283,49 4.492,50 5.271,51 5.464,52 4.376,53 4.54,54 6.247,55 4.448,56 0.019,57 0.839,58 12.882,59 6.151,60 12.154,61 7.533,62 0.271,63 1.389,64 25.234,65 10.682,66 26.007,67 13.211,68 0.325,69 1.779,70 31.057,71 13.318,72 30.682,73 17.117,74 0.406,75 2.069,76 37.023,77 14.821,78 49.975,79 18.998,80 0.584,81 2.224,82 43.692,83 16.223,84 62.865,85 20.175,86 0.425,87 2.251,88 42.852,89 16.629,90 54.218,91 21.354,92 0.703,93 2.291,94 46.186,95 18.13,96 63.126,97 24.528,98 0.449,99 2.175,100 42.045,101 17.251,102 53.033,103 22.635,104 26,105 59,106 0.229,107 0.553,108 0.714,109 0.786,110 0.82,111 0.846,112 3.59,113 0.896,114 -4.97,115 -4.88,116 -4.57,121 46,123 4,124 1,126 3,144 8,145 6,146 5,148 1,149 1,165 1,166 1,167 1,176 18,179 1,180 8,185 2,187 23,189 2,191 2,192 11,197 2,200 21,203 2,205 1,206 15,208 2,209 2,211 4,214 18,216 4,219 15,224 4,227 20,229 4,232 8,237 2,239 20,241 2,243 4,244 8,246 2,247 2,249 2,251 21,253 2,255 2,256 9,258 1,259 1,261 2,264 16,266 2,269 11,274 1,277 9,279 1,281 2208,282 24.472,283 24.472,284 24.472,285 24.472,286 24.472,287 21.729,288 28.707,289 14.018,290 25.149,291 19.573,292 19.573,293 19.573,294 19.573,295 19.573,296 15.125,297 35.762,298 6.352,299 20.417,300 4.532,301 2.485,302 1.473,303 1.016,304 0.802,305 0.639,306 4.311,312 1,313 734,314 3.162,318 340.81,322 346.367,325 1.298,326 29.999,329 1,330 0.67,331 1,332 0.8,333 0.5,334 1,335 1,336 0.85,337 75,338 330,339 4.739,340 3.783,341 7.181,342 4.404,343 3.427,344 4.551,345 1.36,346 12.644,347 3.354,348 4.489,349 3.365,350 6.68,351 4.051,352 3.068,353 4.291,354 0.86,355 10.753,356 3.019,357 4.419,358 3.224,359 6.541,360 4.006,361 3.054,362 4.104,363 0.86,364 10.323,365 2.911,366 4.038,367 3.022,368 6.341,369 3.719,370 2.736,371 3.477,372 0.86,373 9.56,374 2.675,375 3.592,376 2.657,377 5.822,378 3.239,379 2.29,380 2.978,381 0.86,382 7.76,383 2.193,384 3.571,385 2.555,386 5.576,387 3.167,388 2.196,389 2.9,391 7.154,392 2.107,393 3.355,394 2.376,395 5.261,396 2.972,397 2.061,398 2.639,400 6.233,401 1.905,402 3.353,403 2.214,404 5.19,405 2.959,406 2.001,407 2.604,409 6.118,410 1.867,411 3.196,412 2.024,413 4.868,414 2.73,415 1.744,416 2.516,418 5.121,419 1.718,420 2.912,421 1.834,422 4.352,423 2.455,424 1.464,425 2.102,427 3.71,428 1.45,429 2.503,430 1.573,431 3.912,432 2.411,433 1.42,434 1.503,436 3.09,437 1.406,438 2.455,439 1.483,440 3.732,441 2.185,442 1.234,443 1.447,445 2.966,446 1.168,447 2.304,448 1.376,449 3.676,450 1.977,451 1.109,452 1.242,454 2.481,455 0.954,456 2.153,457 1.148,458 3.587,459 1.857,460 0.883,461 1.121,463 2.2,464 0.856,465 1.944,466 1.013,467 3.509,468 1.745,469 0.785,470 0.893,472 1.863,473 0.75,474 16.633,475 0.475,476 0.791,477 0.023,478 47.25,479 1.35,480 24.5,481 0.7,482 22.75,483 0.65,484 33.688,485 0.963,486 36.767,487 0.584,488 39.777,489 1.136,490 9.145,491 0.261,492 7.994,493 0.228,494 0.114,496 0.421,501 0.886,502 1.099,503 0.771,504 1.034,505 0.947,506 0.904,507 1.171,508 0.874,509 0.81,510 0.808,511 0.939,512 0.768,513 0.758,514 1.102,515 0.786,516 1.003,517 0.761,518 0.914,519 1.001,520 1.129,521 0.969,522 1.075,523 1.033,524 1.02,525 1.567,526 0.995,527 1.147,528 0.921,529 1.446,530 0.959,531 1.226,532 1.082,533 1.097,534 1.034,535 1.276,536 1.039,537 0.649,538 0.906,539 0.792,540 0.911,541 0.645,542 0.881,543 0.857,544 1.177,545 1.041,546 1.19,547 0.843,548 1.156,549 5.5,550 0.173,551 4.222,552 3.125,553 3.364,554 1.701,555 1.337,556 0.974,557 0.701,558 0.376,559 15426,560 36281,561 2.173,562 44.4,563 7,564 17,567 2,568 2,572 1.78,573 2.039,574 3.203,575 0.105,582 91.081,583 1.446,584 3.492,585 4.504,586 4.961,587 5.175,588 5.338,589 2.606,590 4.708,591 5.101,592 3.36,593 1999.46,594 9.028,595 28926.5,600 376.569,601 1.392,602 5.065,603 0.138,604 0.007,605 0.072,606 0.044,607 0.047,608 0.024,609 0.02,610 0.014,611 0.011,612 0.009,613 0.384,614 0.17,615 0.75,616 0.808,617 181.649,618 -0.03,619 -0.012,620 0.07,621 -0.013,622 -0.052,623 0.038,624 -0.066,625 0.149,626 0.117,627 0.198,628 -0.012,629 0.185,630 0.155,631 -0.06,632 0.122,633 -0.001,634 0.121,635 0.047,636 0.042,637 -0.069,638 -0.03,639 -0.102,640 0.059,641 -0.08,642 -0.252,643 0.031,644 -0.156,645 0.043,646 -0.221,647 -0.028,648 -0.156,649 -0.054,650 -0.134,651 -0.061,652 -0.183,653 -0.087,654 0.255,655 0.08,656 0.186,657 0.078,658 0.283,659 0.113,660 0.082,661 -0.189,662 -0.088,663 -0.195,664 0.093,665 -0.175,666 1.535,667 3.069,668 0.8,669 30.95,670 1,671 1.115,672 3.744,673 14.016,674 0.678,675 3.714,676 4.094,677 4.5,678 4.875,679 5.226,680 5.442,681 5.743,682 6.016,683 6.254,684 6.385,685 6.004,686 0.647,687 468.59,688 3.714,689 5.293,690 6.205,691 7.133,692 8.063,693 9.001,694 9.939,695 10.882,696 11.825,697 12.771,698 3.2,702 1,708 1,714 2,715 8,716 1,720 11,722 23,733 1,739 4,741 63,743 23,744 3,745 40,747 68,748 29,749 21,750 8,751 8,756 6,757 16,767 4,768 1,770 4,772 21,773 8,774 1,793 28,794 6,795 2,796 6,802 2,808 0.333,809 4,822 1,829 6,833 4,859 2,864 3,868 35,869 1,876 4,878 4,880 1,893 6.3,898 4,901 17.167,902 12.45,903 7.75,904 3.815,907 4.723,908 1.513,909 1.026,910 5.64,911 13.939,912 3.961,913 4.64,914 5.33,915 5.993,916 6.638,917 7.068,918 7.609,919 8.164,920 8.694,921 9.089,922 1,923 71,924 12.967,926 5.659,927 0.026,929 7.557,931 25.195,933 21.545,936 2.057,937 72,941 306.049,942 167.787,943 49.683,945 44,948 167.787,949 350.048,950 49.683,951 32.649,952 10.138,953 108.707,954 16.786,955 88.375,956 4.815,957 306.049,959 306.049,960 217.47,961 44,964 306.049,965 44,968 12.895,969 187.79,970 16.786,972 306.049,973 93.682,974 167.787,977 306.049,978 59.328,979 108.459,981 93.682,982 306.049,983 93.682,984 167.787,986 0.583,987 0.376,988 0.225,989 0.128,990 32,991 14,992 0.059,993 4,994 4,995 1.286,996 4.225,997 386.798,998 0.286,999 28,1000 171.525,1005 22.354,1006 8.831,1007 3.493,1008 2.162,1009 93.682,1010 16.519,1011 5.026,1015 9.067,1017 32.897,1018 567.518,1019 51.5,1031 63,1032 70.232,1034 0.242,1035 0.584,1036 0.754,1037 0.83,1038 0.866,1039 0.893,1040 5.235,1041 2.001,1042 6.213,1043 6.233,1044 4.779,1045 5.328,1046 2.271,1047 7.128,1048 4.706,1049 6.469,1050 1.744,1051 7.832,1052 6.118,1053 4.443,1054 5.278,1055 1.06,1056 8.215,1057 4.348,1058 7.815,1059 1.464,1060 9.553,1061 5.121,1062 6.466,1063 7.632,1064 2.222,1065 11.397,1066 6.342,1067 9.199,1068 1.42,1069 11.334,1070 3.71,1071 6.976,1072 8.404,1073 1.679,1074 13.303,1075 6.828,1076 10.617,1077 1.234,1078 13.153,1079 3.09,1080 8.461,1081 10.24,1082 2.376,1083 16.015,1084 8.294,1085 12.058,1086 1.109,1087 14.998,1088 2.966,1089 9.353,1090 11.386,1091 2.248,1092 18.258,1093 9.161,1094 13.517,1095 0.883,1096 16.861,1097 2.481,1098 10.64,1099 13.018,1100 2.721,1101 20.82,1102 10.432,1103 3.427,1104 0.785,1105 18.738,1106 2.2,1107 11.703,1108 14.342,1109 2.825,1110 23.21,1111 11.47,1112 3.068,1113 12.644,1114 20.626,1115 1.863,1116 12.921,1117 15.888,1118 3.197,1119 25.727,1120 12.671,1121 3.054,1122 10.753,1123 22.522,1124 4.551,1125 14.059,1126 17.296,1127 3.415,1128 28.183,1129 13.785,1130 2.736,1131 10.323,1132 24.426,1133 4.291,1134 15.257,1135 18.808,1136 3.746,1137 30.691,1138 14.965,1139 2.29,1140 9.56,1141 26.337,1142 4.104,1143 16.428,1144 20.257,1145 4.015,1146 33.18,1147 16.115,1148 2.196,1149 7.76,1150 28.253,1151 3.477,1152 17.625,1153 21.754,1154 4.331,1155 35.691,1156 17.292,1157 2.061,1158 7.154,1159 30.174,1160 2.978,1161 18.813,1162 23.224,1163 4.622,1164 38.197,1165 18.46,1166 14337,1167 22139,1168 27.164,1169 42.728,1170 60.408,1171 61.996,1172 64.342,1173 60.379,1174 60.556,1175 78.544,1176 9.6,1177 186.477,1178 58.051,1179 5.684,1180 5.783,1181 6.864,1182 5.511,1183 5.427,1184 7.551,1185 2.22,1186 20.42,1187 5.354,1188 15.553,1189 1.51,1190 1.55,1191 1.609,1192 1.509,1193 1.514,1194 1.964,1195 0.24,1196 4.662,1197 1.451,1198 4.16,1199 4.175,1200 4.127,1201 4.102,1202 5.145,1203 4.105,1204 3.968,1205 3.996,1206 3.92,1207 3.903,1208 4.974,1209 3.904,1210 3.899,1211 3.912,1212 3.856,1213 3.804,1214 4.92,1215 3.812,1216 3.616,1217 3.652,1218 3.521,1219 3.511,1220 4.7,1221 3.509,1222 3.397,1223 3.449,1224 3.287,1225 3.298,1226 4.58,1227 3.289,1228 3.303,1229 3.355,1230 3.144,1231 3.031,1232 4.463,1233 3.037,1234 3.25,1235 3.312,1236 3.102,1237 3.006,1238 4.37,1239 3.026,1240 3.19,1241 3.267,1242 3.039,1243 2.971,1244 4.195,1245 2.977,1246 0.118,1247 0.095,1248 0.18,1249 0.11,1250 0.086,1251 4.739,1252 0.114,1253 3.783,1254 0.034,1255 7.181,1256 0.316,1257 4.404,1258 0.084,1259 3.427,1260 4.551,1261 1.36,1262 12.644,1263 3.354,1264 2.11,1265 2.097,1266 2.176,1267 2.18,1268 1.435,1269 2.178,1270 1.956,1271 1.931,1272 2.079,1273 2.049,1274 1.344,1275 2.06,1276 1.865,1277 1.848,1278 1.963,1279 1.982,1280 1.154,1281 1.972,1282 1.595,1283 1.564,1284 1.741,1285 1.743,1286 0.908,1287 1.748,1288 1.401,1289 1.356,1290 1.59,1291 1.558,1292 0.75,1293 1.565,1294 1.227,1295 1.163,1296 1.577,1297 1.544,1298 0.681,1299 1.56,1300 1.203,1301 1.141,1302 1.57,1303 1.511,1304 0.584,1305 1.53,1306 1.158,1307 1.073,1308 1.531,1309 1.442,1310 0.575,1311 1.474,1312 4.394,1314 5.759,1316 7.354,1318 9.059,1320 10.821,1322 4.874,1326 6.912,1328 4.101,1330 23.541,1332 -0.202,1340 40.75,1341 91.081,1342 220,1343 283.775,1344 312.53,1345 326.039,1346 336.304,1347 54.488,1348 9.215,1349 75.83,1350 75.83,1351 36,1352 13.264,1353 4.585,1354 3.644,1355 46.427,1356 120,1357 134,1358 0.183,1359 241.96,1360 420.62,1361 582.143,1362 141203,1364 24.104,1365 0.689,1366 0.577,1367 24.104,1368 20.182,1369 17.139,1370 0.428,1371 0.299,1372 11.77,1373 16.481,1374 11.426,1375 9.462,1376 17.139,1377 11.947,1378 15.207,1379 0.258,1380 0.154,1381 15.207,1382 9.075,1383 14.339,1384 0.161,1385 0.081,1386 14.339,1387 7.25,1388 13.151,1389 0.101,1390 0.043,1391 13.151,1392 5.588,1393 11.598,1394 0.063,1395 0.023,1396 11.598,1397 4.269,1398 0.273,1399 107.693,1400 0.192,1401 30.818,1402 0.555,1403 198,1404 537.899,1405 214.034,1406 511.849,1407 725.91,1408 486,1409 247,1410 554.571,1411 265.003,1412 564.586,1413 843.16,1414 530,1415 5.455}
{0 CHEMBL2206898,1 1.502,2 9.375,3 5.784,4 33.452,5 124.312,6 7.991,7 0.622,8 4.102,9 4.201,10 3.743,11 3.73,12 5.25,13 3.712,14 4.636,15 4.761,16 4.153,17 4.182,18 5.815,19 4.144,20 4.943,21 5.118,22 4.307,23 4.364,24 5.982,25 4.314,26 5.044,27 5.225,28 4.31,29 4.375,30 6.164,31 4.324,32 5.039,33 5.226,34 4.261,35 4.372,36 6.092,37 4.311,38 5.003,39 5.195,40 4.208,41 4.358,42 6.003,43 4.285,44 5.006,45 5.212,46 4.143,47 4.337,48 6.004,49 4.247,50 4.945,51 5.151,52 4.066,53 4.25,54 5.995,55 4.149,56 0.132,57 0.73,58 9.312,59 4.714,60 11.377,61 5.735,62 0.199,63 1.21,64 17.326,65 8.682,66 42.081,67 10.819,68 0.148,69 1.661,70 26.531,71 11.842,72 31.487,73 15.185,74 0.414,75 1.832,76 30.926,77 12.433,78 64.132,79 15.296,80 0.41,81 1.8,82 31.516,83 12.613,84 61.246,85 15.517,86 0.334,87 1.778,88 29.755,89 12.18,90 49.336,91 15.413,92 0.314,93 1.759,94 30.692,95 12.728,96 48.033,97 16.468,98 0.239,99 1.651,100 28.314,101 12.423,102 33.179,103 16.456,104 11,105 55,106 0.244,107 0.578,108 0.719,109 0.821,110 0.862,111 0.869,112 3.504,113 0.881,114 -6.48,115 -6.3,116 -5.85,121 49.1,123 4,124 1,144 10,145 6,146 3,148 1,149 1,165 1,166 1,167 1,168 2,176 20,179 2,180 8,185 2,187 26,189 2,192 13,197 2,200 25,203 2,206 15,208 2,209 2,211 4,214 22,216 4,219 13,224 4,227 22,229 4,232 12,237 4,239 26,241 4,244 6,249 2,251 27,253 2,255 2,256 5,258 1,259 1,261 2,264 24,266 2,268 4,269 9,271 2,272 2,274 1,277 13,279 1,281 1740,282 22.068,283 22.068,284 22.068,285 22.068,286 22.068,287 19.022,288 23.509,289 12.709,290 22.292,291 18.276,292 18.276,293 18.276,294 18.276,295 18.276,296 13.636,297 26.962,298 6.006,299 18.671,300 4.226,301 2.169,302 1.297,303 0.67,304 0.415,305 0.377,306 4.228,312 1,313 677,314 3,318 301.899,322 310.52,325 1.359,326 32.671,329 0.75,330 0.67,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.75,337 68.5,338 300,339 4.734,340 3.791,341 7.177,342 4.398,343 3.42,344 4.549,345 2.612,346 12.627,347 3.349,348 4.488,349 3.763,350 6.68,351 4.051,352 3.066,353 4.286,354 1.36,355 10.753,356 3.019,357 4.269,358 3.228,359 6.375,360 3.838,361 2.85,362 3.959,363 0.86,364 9.692,365 2.817,366 4.071,367 3.06,368 5.93,369 3.663,370 2.686,371 3.542,373 8.212,374 2.619,375 3.684,376 2.673,377 5.817,378 3.274,379 2.32,380 3.126,382 7.746,383 2.221,384 3.584,385 2.38,386 5.578,387 3.179,388 2.199,389 2.973,391 7.158,392 2.15,393 3.406,394 2.299,395 5.262,396 2.989,397 2.035,398 2.706,400 6.241,401 1.925,402 3.214,403 2.075,404 4.863,405 2.752,406 1.767,407 2.527,409 5.127,410 1.737,411 2.995,412 1.786,413 4.34,414 2.488,415 1.494,416 2.172,418 3.734,419 1.484,420 2.868,421 1.567,422 3.894,423 2.411,424 1.421,425 2.002,427 3.095,428 1.406,429 2.5,430 1.478,431 3.743,432 2.282,433 1.29,434 1.5,436 2.975,437 1.278,438 2.499,439 1.376,440 3.676,441 2.116,442 1.137,443 1.498,445 2.866,446 1.108,447 2.429,448 1.131,449 3.589,450 2,451 1,452 1.406,454 2.275,455 1,456 2.266,457 1,458 3.52,459 1.858,460 0.883,461 1.183,463 2.234,464 0.858,465 1.974,466 1,467 3.414,468 1.768,469 0.779,470 0.916,472 1.969,473 0.769,474 15.2,475 0.475,476 0.816,477 0.025,478 46.5,479 1.453,480 26,481 0.813,482 20.5,483 0.641,484 26.485,485 0.828,486 32.2,487 0.608,488 36.648,489 1.145,490 8.687,491 0.271,492 6.927,493 0.216,494 0.07,496 0.421,501 0.51,502 0.888,503 0.692,504 0.826,505 0.56,506 0.793,507 0.485,508 1.036,509 0.749,510 1.003,511 0.363,512 0.938,513 0.69,514 1.084,515 0.795,516 1.018,517 0.472,518 0.938,519 1.118,520 1,521 1.022,522 0.985,523 0.875,524 0.983,525 1.188,526 0.97,527 1.038,528 0.916,529 0.824,530 0.944,531 0.956,532 1.024,533 1.055,534 0.98,535 0.54,536 1.017,537 0.838,538 1.007,539 1.032,540 1.009,541 0.719,542 1.041,543 0.553,544 1.133,545 1.003,546 1.233,547 0.719,548 1.203,549 5,550 0.181,551 4,552 2.625,553 2.862,554 1.472,555 1.048,556 0.668,557 0.427,558 0.314,559 12899,560 33984,561 2.21,562 39.6,563 7,564 10,567 2,568 2,572 1.755,573 2.087,574 3.199,575 0.146,582 79.62,583 1.502,584 3.559,585 4.431,586 5.058,587 5.313,588 5.351,589 2.641,590 4.328,591 4.967,592 3.378,593 1675.33,594 8.751,595 22734,600 303.58,601 1.348,602 4.942,603 0.135,604 0.01,605 0.073,606 0.042,607 0.047,608 0.025,609 0.019,610 0.013,611 0.009,612 0.009,613 0.382,614 0.33,615 0.75,616 0.633,617 162.157,618 0.158,619 0.17,620 0.057,621 0.116,622 -0.012,623 0.077,624 0.195,625 -0.047,626 0.06,627 -0.026,628 0.214,629 -0.01,630 0.021,631 -0.092,632 0.101,633 -0.039,634 0.058,635 0.03,636 -0.079,637 0.017,638 -0.073,639 -0.028,640 -0.038,641 -0.044,642 -0.171,643 0.028,644 -0.078,645 0.055,646 -0.095,647 0.013,648 -0.134,649 -0.008,650 -0.121,651 -0.013,652 -0.057,653 -0.054,654 -0.085,655 -0.022,656 -0.081,657 -0.022,658 -0.059,659 -0.045,660 0.121,661 -0.169,662 -0.057,663 -0.238,664 0.036,665 -0.192,666 2.38,667 4.202,668 0.875,669 28.445,670 1.005,671 1.111,672 5.247,673 27.53,674 0.703,675 3.638,676 4.025,677 4.407,678 4.771,679 5.136,680 5.352,681 5.642,682 5.916,683 6.144,684 6.248,685 5.896,686 0.678,687 423.5,688 3.638,689 5.22,690 6.125,691 7.048,692 7.973,693 8.906,694 9.84,695 10.78,696 11.719,697 12.663,698 5.7,702 1,708 1,709 1,714 2,715 10,716 1,720 9,722 23,733 1,735 1,739 1,741 53,743 25,744 3,745 37,747 58,748 26,749 21,750 6,751 10,756 6,757 16,767 4,768 1,770 4,772 21,773 5,774 1,777 2,779 1,782 2,793 21,794 5,795 2,796 6,802 3,808 0.333,809 3,822 1,829 6,833 4,859 2,868 32,869 1,876 4,878 1,880 1,893 5.7,898 1,899 2,901 15.333,902 9.65,903 6.806,904 3.404,907 4.811,908 1.533,909 1.062,910 4.408,911 13.84,912 3.942,913 4.63,914 5.286,915 5.937,916 6.591,917 7.021,918 7.564,919 8.119,920 8.646,921 9.023,922 1,923 63,924 11.87,926 5.361,927 0.026,929 7.755,931 22.799,933 20.051,936 2.255,937 72.167,941 223.651,942 141.117,943 55.353,945 61.747,948 141.117,949 285.398,950 55.353,951 5.67,952 10.138,953 127.66,954 16.786,955 42.402,956 4.815,957 223.651,958 50.747,959 223.651,960 196.47,961 61.747,964 223.651,965 11,966 50.747,968 12.895,969 161.119,970 22.456,972 223.651,973 117.1,974 141.117,977 223.651,978 46.355,979 100.433,981 111.43,982 223.651,983 117.1,984 141.117,986 0.594,987 0.364,988 0.208,989 0.121,990 31,991 13,992 0.034,993 2,994 4,995 1.286,996 4.118,997 339.26,998 0.286,999 28,1000 154,1005 19.271,1006 7.319,1007 3,1008 2.101,1009 111.43,1010 19.001,1011 4.931,1015 7.075,1017 32.897,1018 481.868,1019 50.5,1021 -0.38,1024 22.404,1031 53.24,1032 58.86,1034 0.262,1035 0.621,1036 0.774,1037 0.883,1038 0.928,1039 0.934,1040 5.208,1041 1.767,1042 6.133,1043 6.241,1044 4.71,1045 5.318,1046 2.801,1047 7.034,1048 4.667,1049 6.448,1050 1.494,1051 7.744,1052 5.127,1053 4.369,1054 5.263,1055 2.525,1056 8.098,1057 4.3,1058 7.791,1059 1.421,1060 9.457,1061 3.734,1062 6.382,1063 7.619,1064 4.229,1065 11.278,1066 6.299,1067 9.171,1068 1.29,1069 11.232,1070 3.095,1071 6.878,1072 8.378,1073 4.553,1074 13.18,1075 6.772,1076 10.584,1077 1.137,1078 13.046,1079 2.975,1080 8.365,1081 10.217,1082 5.967,1083 15.893,1084 8.245,1085 12.019,1086 1,1087 14.887,1088 2.866,1089 9.243,1090 11.35,1091 6.568,1092 18.143,1093 9.102,1094 13.472,1095 0.883,1096 16.747,1097 2.275,1098 10.532,1099 12.983,1100 7.799,1101 20.71,1102 10.376,1103 3.42,1104 0.779,1105 18.622,1106 2.234,1107 11.586,1108 14.296,1109 8.551,1110 23.11,1111 11.408,1112 3.066,1113 12.627,1114 20.509,1115 1.969,1116 12.805,1117 15.842,1118 9.671,1119 25.634,1120 12.611,1121 2.85,1122 10.753,1123 22.405,1124 4.549,1125 13.938,1126 17.244,1127 10.51,1128 28.1,1129 13.723,1130 2.686,1131 9.692,1132 24.31,1133 4.286,1134 15.138,1135 18.754,1136 11.564,1137 30.616,1138 14.904,1139 2.32,1140 8.212,1141 26.221,1142 3.959,1143 16.309,1144 20.2,1145 12.452,1146 33.112,1147 16.053,1148 2.199,1149 7.746,1150 28.139,1151 3.542,1152 17.508,1153 21.697,1154 13.468,1155 35.629,1156 17.231,1157 2.035,1158 7.158,1159 30.062,1160 3.126,1161 18.698,1162 23.165,1163 14.386,1164 38.141,1165 18.4,1166 11826,1167 19374,1168 25.372,1169 37.233,1170 57.052,1171 58.64,1172 58.815,1173 56.889,1174 56.883,1175 76.927,1176 9.665,1177 173.937,1178 55.658,1179 5.679,1180 5.791,1181 6.861,1182 5.504,1183 5.42,1184 7.549,1185 4.612,1186 20.403,1187 5.349,1188 12.877,1189 1.542,1190 1.585,1191 1.59,1192 1.538,1193 1.537,1194 2.079,1195 0.261,1196 4.701,1197 1.504,1198 4.161,1199 4.178,1200 4.128,1201 4.103,1202 7.815,1203 4.105,1204 3.978,1205 4.003,1206 3.936,1207 3.907,1208 6.999,1209 3.907,1210 3.936,1211 3.969,1212 3.889,1213 3.822,1214 5.141,1215 3.827,1216 3.648,1217 3.683,1218 3.574,1219 3.519,1220 4.937,1221 3.52,1222 3.441,1223 3.477,1224 3.383,1225 3.298,1226 4.706,1227 3.289,1228 3.39,1229 3.432,1230 3.285,1231 3.072,1232 4.663,1233 3.143,1234 3.153,1235 3.23,1236 3.04,1237 2.975,1238 4.357,1239 2.981,1240 3.06,1241 3.113,1242 2.935,1243 2.919,1244 4.172,1245 2.913,1246 0.128,1247 0.102,1248 0.194,1249 0.119,1250 0.092,1251 4.734,1252 0.123,1253 3.791,1254 0.071,1255 7.177,1256 0.341,1257 4.398,1258 0.091,1259 3.42,1260 4.549,1261 2.612,1262 12.627,1263 3.349,1264 2.111,1265 2.098,1266 2.179,1267 2.184,1268 1.435,1269 2.181,1270 1.961,1271 1.935,1272 2.079,1273 2.066,1274 1.344,1275 2.061,1276 1.896,1277 1.865,1278 2.012,1279 2.044,1280 1.158,1281 2.027,1282 1.608,1283 1.573,1284 1.752,1285 1.781,1286 0.921,1287 1.768,1288 1.402,1289 1.356,1290 1.577,1291 1.607,1292 0.75,1293 1.565,1294 1.205,1295 1.175,1296 1.453,1297 1.529,1298 0.681,1299 1.508,1300 1.133,1301 1.062,1302 1.324,1303 1.372,1304 0.477,1305 1.395,1306 1.048,1307 1.004,1308 1.218,1309 1.242,1310 0.297,1311 1.252,1312 4.317,1314 5.687,1316 7.279,1318 8.975,1320 10.728,1326 6.772,1328 4.019,1330 6.452,1332 -0.209,1340 35.95,1341 79.62,1342 188.612,1343 234.851,1344 268.07,1345 281.58,1346 283.58,1347 52.995,1348 9.029,1349 93.96,1350 93.96,1351 36,1352 13.157,1353 4.7,1354 3.858,1355 40.913,1356 108,1357 130,1358 0.181,1359 213.054,1360 368.29,1361 511.611,1362 113814,1364 21.819,1365 0.682,1366 0.543,1367 21.819,1368 17.376,1369 15.614,1370 0.422,1371 0.294,1372 10.769,1373 15.161,1374 10.582,1375 8.688,1376 15.614,1377 10.865,1378 14.486,1379 0.263,1380 0.154,1381 14.486,1382 8.465,1383 13.156,1384 0.162,1385 0.082,1386 13.156,1387 6.667,1388 11.819,1389 0.101,1390 0.044,1391 11.819,1392 5.108,1393 10.513,1394 0.062,1395 0.023,1396 10.513,1397 3.933,1398 0.272,1399 97.097,1400 0.199,1401 28.836,1402 0.543,1403 184,1404 501.809,1405 197.575,1406 491.074,1407 686.09,1408 458,1409 228,1410 532.3,1411 242.299,1412 534.638,1413 794.04,1414 506,1415 5.241}
{0 CHEMBL2206899,1 1.503,2 8.516,3 7.218,4 52.102,5 126.597,6 8.772,7 0.639,8 4.057,9 4.15,10 3.779,11 3.752,12 5.135,13 3.714,14 4.601,15 4.724,16 4.227,17 4.209,18 5.634,19 4.15,20 4.917,21 5.083,22 4.434,23 4.405,24 5.907,25 4.331,26 4.998,27 5.16,28 4.546,29 4.435,30 6.096,31 4.358,32 5.008,33 5.177,34 4.501,35 4.441,36 6.063,37 4.369,38 5.014,39 5.175,40 4.615,41 4.447,42 6.178,43 4.371,44 4.977,45 5.162,46 4.35,47 4.409,48 5.986,49 4.285,50 4.888,51 5.084,52 4.171,53 4.304,54 5.845,55 4.141,56 0.019,57 0.63,58 7.683,59 4.203,60 7.201,61 5.323,62 0.071,63 1.078,64 15.596,65 7.958,66 11.72,67 10.333,68 0.113,69 1.5,70 28.343,71 11.75,72 24.294,73 15.049,74 0.389,75 1.645,76 37.456,77 12.336,78 48.502,79 14.833,80 0.3,81 1.66,82 32.897,83 12.46,84 38.251,85 14.823,86 0.57,87 1.618,88 36.493,89 12.535,90 62.608,91 15.021,92 0.297,93 1.572,94 37.099,95 12.986,96 41.093,97 16.17,98 0.199,99 1.403,100 35.033,101 12.611,102 35.426,103 16.389,104 10,105 54,106 0.247,107 0.593,108 0.727,109 0.825,110 0.869,111 0.875,112 3.474,113 0.944,114 -7.15,115 -6.94,116 -6.42,121 51,123 4,124 1,144 9,145 6,146 4,148 1,149 1,165 1,166 1,167 1,176 18,179 1,180 6,185 2,187 27,189 2,192 7,197 2,200 24,203 2,206 10,208 2,209 2,211 4,214 28,216 4,219 6,224 2,227 20,229 2,232 12,237 6,239 27,241 6,244 3,249 3,251 28,253 3,261 2,264 31,266 2,274 1,277 21,279 1,281 1477,282 21.413,283 21.413,284 21.413,285 21.413,286 21.413,287 18.538,288 19.068,289 12.321,290 21.802,291 17.782,292 17.782,293 17.782,294 17.782,295 17.782,296 13.438,297 20.93,298 5.821,299 18.559,300 4.17,301 2.07,302 1.256,303 0.657,304 0.392,305 0.353,306 4.198,308 2,312 1,313 599,314 2.55,318 277.037,322 282.474,325 1.111,326 26.847,329 0.75,330 0.67,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.75,337 64.667,338 264,339 4.755,340 3.832,341 7.246,342 4.423,343 3.449,344 4.555,345 1.36,346 12.891,347 3.36,348 4.49,349 3.333,350 6.682,351 4.051,352 3.067,353 4.297,354 0.86,355 10.753,356 3.019,357 4.354,358 3.213,359 6.585,360 3.938,361 2.986,362 4.011,364 10.365,365 2.84,366 3.909,367 2.848,368 6.091,369 3.527,370 2.566,371 3.373,373 8.638,374 2.419,375 3.585,376 2.623,377 5.75,378 3.194,379 2.209,380 2.974,382 7.501,383 2.174,384 3.445,385 2.574,386 5.376,387 3.06,388 2.139,389 2.736,391 6.644,392 1.96,393 3.232,394 2.371,395 5.072,396 2.804,397 1.879,398 2.532,400 5.524,401 1.774,402 3.224,403 2.098,404 4.841,405 2.707,406 1.832,407 2.481,409 5.104,410 1.562,411 2.998,412 1.652,413 4.481,414 2.569,415 1.575,416 2.2,418 4.103,419 1.441,420 2.847,421 1.522,422 4.03,423 2.412,424 1.421,425 2.009,427 3.154,428 1.407,429 2.501,430 1.4,431 3.782,432 2.365,433 1.366,434 1.501,436 3.05,437 1.364,438 2.45,439 1.368,440 3.677,441 2.151,442 1.183,443 1.438,445 2.948,446 1.134,447 2.291,448 1.223,449 3.592,450 1.863,451 0.894,452 1.211,454 2.258,455 0.86,456 2.013,457 1.033,458 3.531,459 1.825,460 0.85,461 0.972,463 2.066,464 0.812,465 1.422,466 0.747,467 3.141,468 1.057,469 0.161,470 0.192,472 0.427,473 0.131,474 15.562,475 0.502,476 0.799,477 0.026,478 42.75,479 1.379,480 23,481 0.742,482 19.75,483 0.637,484 29.756,485 0.96,486 30.638,487 0.601,488 31.944,489 1.03,490 7.837,491 0.253,492 7.294,493 0.235,494 0.118,496 0.418,501 0.715,502 0.904,503 0.543,504 0.736,505 0.791,506 0.733,507 0.62,508 1.024,509 0.593,510 0.867,511 0.564,512 0.858,513 0.893,514 1.063,515 0.75,516 0.905,517 0.831,518 0.861,519 1.296,520 1.021,521 0.958,522 0.943,523 1.158,524 0.934,525 1.478,526 0.989,527 0.888,528 0.815,529 1.252,530 0.835,531 1.128,532 1.033,533 0.966,534 0.967,535 0.964,536 0.919,537 1.238,538 0.97,539 1.21,540 1.012,541 1.236,542 1.049,543 0.929,544 1.077,545 1.29,546 1.197,547 1.087,548 1.232,549 4.5,550 0.016,551 3.778,552 2.813,553 2.973,554 1.625,555 1.215,556 0.809,557 0.284,558 0.154,559 11286,560 28865,561 2.217,562 39.2,563 7,564 9,567 2,568 2,572 1.75,573 2.09,574 3.031,575 0.129,582 76.644,583 1.503,584 3.602,585 4.417,586 5.015,587 5.28,588 5.319,589 2.378,590 4.761,591 4.928,592 3.182,593 1479.47,594 8.68,595 19460.6,600 289.294,601 1.359,602 4.895,603 0.125,604 0.003,605 0.07,606 0.045,607 0.047,608 0.025,609 0.019,610 0.016,611 0.007,612 0.007,613 0.364,614 0.67,615 0.75,616 0.486,617 153.623,618 -0.047,619 0.098,620 0.012,621 0.068,622 -0.085,623 0.071,624 0.098,625 -0.055,626 0.05,627 -0.007,628 0.083,629 0.009,630 0.012,631 -0.076,632 0.073,633 0.021,634 0.008,635 0.068,636 -0.002,637 0.015,638 0.017,639 -0.013,640 0.022,641 -0.033,642 -0.175,643 0.043,644 0.014,645 0.116,646 -0.116,647 0.072,648 0.211,649 -0.012,650 0.088,651 -0.02,652 0.272,653 -0.007,654 -0.187,655 0.016,656 -0.136,657 -0.032,658 -0.169,659 -0.085,660 -0.106,661 -0.145,662 -0.164,663 -0.182,664 -0.128,665 -0.219,666 1.579,667 2.992,668 0.903,669 23.634,670 1,671 1.103,672 5.916,673 34.997,674 0.741,675 3.611,676 4.007,677 4.407,678 4.796,679 5.159,680 5.375,681 5.635,682 5.922,683 6.14,684 6.232,685 5.357,686 0.7,687 447.38,688 3.611,689 5.198,690 6.111,691 7.045,692 7.978,693 8.921,694 9.862,695 10.811,696 11.757,697 12.709,698 3.9,702 1,708 1,714 2,715 9,716 1,720 10,722 23,733 1,739 1,740 2,741 51,743 23,744 3,745 36,747 56,748 26,749 21,750 7,751 9,756 6,757 16,758 2,767 4,768 1,770 4,772 21,773 5,774 1,793 20,794 3,795 2,796 5,797 2,802 2,808 0.333,809 1,822 1,829 6,833 4,859 2,865 2,868 31,869 1,876 4,878 1,880 1,892 2,893 2,898 1,901 14.833,902 9.319,903 6.583,904 3.317,907 4.682,908 1.523,909 1.075,910 4.55,911 13.641,912 3.882,913 4.58,914 5.263,915 5.929,916 6.584,917 7.003,918 7.526,919 8.1,920 8.62,921 8.974,922 0.833,923 63,924 11.499,926 5.181,927 0.026,929 7.566,931 22.389,933 19.838,936 2.066,937 64.056,941 211.88,942 135.885,943 49.683,944 78.297,945 11,948 135.885,949 301.177,950 49.683,952 10.138,953 118.183,954 16.786,955 46.646,956 4.815,957 211.88,958 78.297,959 211.88,960 185.568,961 11,962 78.297,964 211.88,965 11,968 12.895,969 155.888,970 95.083,972 211.88,973 60.683,974 214.183,977 211.88,978 50.599,979 85.286,981 138.98,982 211.88,983 60.683,984 214.183,986 0.594,987 0.371,988 0.221,989 0.129,990 31,991 13,992 0.018,993 1,994 4,995 1.286,996 3.965,997 333.16,998 0.286,999 28,1000 147.58,1005 19.271,1006 7.319,1007 2.92,1008 2.15,1009 60.683,1010 18.04,1011 4.967,1015 8.279,1017 32.897,1018 486.745,1019 47.5,1031 51.014,1032 56.246,1034 0.265,1035 0.635,1036 0.779,1037 0.884,1038 0.931,1039 0.938,1040 5.158,1041 1.832,1042 6.125,1043 5.524,1044 4.691,1045 5.268,1046 1.659,1047 7.045,1048 4.609,1049 6.4,1050 1.575,1051 7.745,1052 5.104,1053 4.369,1054 5.207,1055 1.06,1056 8.141,1057 4.215,1058 7.746,1059 1.421,1060 9.471,1061 4.103,1062 6.378,1063 7.575,1064 1.782,1065 11.344,1066 6.24,1067 9.131,1068 1.366,1069 11.258,1070 3.154,1071 6.899,1072 8.337,1073 1.679,1074 13.28,1075 6.707,1076 10.549,1077 1.183,1078 13.085,1079 3.05,1080 8.385,1081 10.188,1082 2.12,1083 16.014,1084 8.198,1085 11.991,1086 0.894,1087 14.939,1088 2.948,1089 9.289,1090 11.33,1091 2.248,1092 18.293,1093 9.062,1094 13.452,1095 0.85,1096 16.812,1097 2.258,1098 10.583,1099 12.971,1100 2.595,1101 20.878,1102 10.349,1103 3.449,1104 0.161,1105 18.701,1106 2.066,1107 11.658,1108 14.294,1109 2.825,1110 23.301,1111 11.391,1112 3.067,1113 12.891,1114 20.601,1115 0.427,1116 12.885,1117 15.847,1118 3.141,1119 25.843,1120 12.603,1121 2.986,1122 10.753,1123 22.51,1124 4.555,1125 14.035,1126 17.256,1127 3.415,1128 28.33,1129 13.725,1130 2.566,1131 10.365,1132 24.427,1133 4.297,1134 15.243,1135 18.771,1136 3.723,1137 30.863,1138 14.913,1139 2.209,1140 8.638,1141 26.35,1142 4.011,1143 16.426,1144 20.222,1145 4.015,1146 33.38,1147 16.071,1148 2.139,1149 7.501,1150 28.28,1151 3.373,1152 17.633,1153 21.723,1154 4.322,1155 35.916,1156 17.255,1157 1.879,1158 6.644,1159 30.214,1160 2.974,1161 18.834,1162 23.195,1163 4.622,1164 38.448,1165 18.43,1166 10299,1167 16641,1168 24.679,1169 37.796,1170 55.448,1171 56.682,1172 57.768,1173 55.477,1174 55.214,1175 73.039,1176 4.44,1177 171.014,1178 52.561,1179 5.7,1180 5.832,1181 6.93,1182 5.529,1183 5.449,1184 7.555,1185 2.22,1186 20.667,1187 5.36,1188 11.871,1189 1.54,1190 1.575,1191 1.605,1192 1.541,1193 1.534,1194 2.029,1195 0.123,1196 4.75,1197 1.46,1198 4.158,1199 4.173,1200 4.174,1201 4.105,1202 5.149,1203 4.106,1204 3.966,1205 3.995,1206 4.02,1207 3.91,1208 5,1209 3.906,1210 3.877,1211 3.897,1212 3.9,1213 3.824,1214 4.922,1215 3.817,1216 3.599,1217 3.639,1218 3.582,1219 3.507,1220 4.699,1221 3.5,1222 3.396,1223 3.448,1224 3.513,1225 3.298,1226 4.632,1227 3.289,1228 3.153,1229 3.23,1230 3.286,1231 2.993,1232 4.361,1233 2.989,1234 3.078,1235 3.134,1236 3.066,1237 2.944,1238 4.173,1239 2.939,1240 2.979,1241 3.025,1242 3.04,1243 2.874,1244 4.115,1245 2.862,1246 0.132,1247 0.106,1248 0.201,1249 0.123,1250 0.096,1251 4.755,1252 0.127,1253 3.832,1254 0.038,1255 7.246,1256 0.358,1257 4.423,1258 0.093,1259 3.449,1260 4.555,1261 1.36,1262 12.891,1263 3.36,1264 2.11,1265 2.097,1266 2.174,1267 2.177,1268 1.435,1269 2.176,1270 1.956,1271 1.931,1272 2.078,1273 2.048,1274 1.344,1275 2.059,1276 1.868,1277 1.846,1278 1.95,1279 1.932,1280 1.151,1281 1.951,1282 1.593,1283 1.557,1284 1.742,1285 1.723,1286 0.904,1287 1.735,1288 1.401,1289 1.356,1290 1.577,1291 1.538,1292 0.75,1293 1.556,1294 1.134,1295 1.066,1296 1.453,1297 1.372,1298 0.681,1299 1.395,1300 1.086,1301 1.031,1302 1.296,1303 1.253,1304 0.475,1305 1.272,1306 0.973,1307 0.935,1308 1.175,1309 1.158,1310 0.296,1311 1.169,1312 4.29,1314 5.666,1316 7.269,1318 8.98,1320 10.749,1323 13.447,1326 6.816,1328 4.111,1330 6.492,1332 -0.246,1340 35.681,1341 76.644,1342 183.706,1343 225.255,1344 255.784,1345 269.294,1346 271.294,1347 47.738,1348 8.959,1349 48.14,1350 48.14,1351 36,1352 13.198,1353 4.585,1354 3.644,1355 38.976,1356 97,1357 102,1358 0.196,1359 217.86,1360 372.77,1361 523.339,1362 103803,1363 3.9,1364 21.112,1365 0.681,1366 0.59,1367 22.112,1368 18.303,1369 15.131,1370 0.42,1371 0.315,1372 10.585,1373 14.342,1374 10.308,1375 8.428,1376 15.708,1377 11.333,1378 14.03,1379 0.26,1380 0.168,1381 14.772,1382 9.067,1383 12.93,1384 0.16,1385 0.089,1386 13.604,1387 7.177,1388 11.967,1389 0.1,1390 0.047,1391 12.77,1392 5.676,1393 10.525,1394 0.061,1395 0.025,1396 11.01,1397 4.241,1398 0.289,1399 98.65,1400 0.201,1401 27.725,1402 0.605,1403 180,1404 439.1,1405 218.438,1406 496.878,1407 687.44,1408 466,1409 225,1410 486.66,1411 256.901,1412 515.458,1413 775.64,1414 490,1415 5.397}
{0 CHEMBL2206900,1 1.503,2 8.806,3 7.218,4 52.102,5 126.597,6 8.772,7 0.639,8 4.057,9 4.15,10 3.779,11 3.752,12 5.134,13 3.714,14 4.601,15 4.724,16 4.227,17 4.209,18 5.634,19 4.15,20 4.918,21 5.083,22 4.468,23 4.401,24 5.937,25 4.324,26 4.984,27 5.162,28 4.34,29 4.383,30 6.018,31 4.308,32 4.997,33 5.179,34 4.327,35 4.389,36 6.011,37 4.315,38 4.996,39 5.178,40 4.379,41 4.408,42 6.019,43 4.321,44 4.973,45 5.163,46 4.43,47 4.396,48 6.012,49 4.284,50 4.89,51 5.084,52 4.276,53 4.304,54 5.903,55 4.15,56 0.019,57 0.63,58 7.683,59 4.203,60 7.09,61 5.323,62 0.071,63 1.078,64 15.596,65 7.958,66 11.498,67 10.333,68 0.18,69 1.503,70 32.01,71 11.796,72 30.081,73 15.039,74 0.31,75 1.677,76 30.648,77 12.063,78 41.666,79 14.93,80 0.3,81 1.689,82 30.774,83 12.283,84 41.441,85 14.89,86 0.29,87 1.678,88 30.832,89 12.343,90 39.984,91 15.052,92 0.371,93 1.58,94 33.906,95 12.775,96 43.728,97 16.275,98 0.309,99 1.393,100 34.894,101 12.548,102 42.324,103 16.436,104 10,105 54,106 0.247,107 0.593,108 0.736,109 0.847,110 0.895,111 0.901,112 3.474,113 0.944,114 -7.15,115 -6.94,116 -6.42,121 51,123 4,124 1,144 9,145 6,146 4,148 1,149 1,165 1,166 1,167 1,176 19,179 1,180 6,185 2,187 26,189 2,192 7,197 2,200 28,203 2,206 10,208 2,209 2,211 4,214 23,216 4,219 10,224 4,227 24,229 4,232 6,237 3,239 26,241 3,244 3,249 3,251 28,253 3,256 2,261 3,264 26,266 3,274 1,277 18,279 1,281 1520,282 21.361,283 21.361,284 21.361,285 21.361,286 21.361,287 18.514,288 20.723,289 12.243,290 21.762,291 17.776,292 17.776,293 17.776,294 17.776,295 17.776,296 13.452,297 23.696,298 5.806,299 18.607,300 4.17,301 2.07,302 1.202,303 0.525,304 0.235,305 0.196,306 4.198,308 2,312 1,313 619,314 2.55,318 282.528,322 290.289,325 1.128,326 25.507,329 0.75,330 0.67,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.75,337 64.667,338 273,339 4.735,340 3.78,341 7.179,342 4.4,343 3.422,344 4.55,345 1.36,346 12.633,347 3.349,348 4.488,349 3.314,350 6.68,351 4.051,352 3.066,353 4.287,354 0.86,355 10.753,356 3.019,357 4.252,358 3.223,359 6.382,360 3.846,361 2.885,362 3.895,364 9.725,365 2.801,366 3.989,367 3.024,368 5.949,369 3.577,370 2.656,371 3.445,373 8.255,374 2.392,375 3.588,376 2.658,377 5.794,378 3.216,379 2.273,380 2.976,382 7.641,383 2.176,384 3.554,385 2.376,386 5.547,387 3.15,388 2.195,389 2.871,391 7.055,392 2.003,393 3.343,394 2.217,395 5.25,396 2.941,397 1.989,398 2.628,400 6.162,401 1.858,402 3.194,403 2.133,404 4.84,405 2.721,406 1.737,407 2.514,409 5.054,410 1.694,411 2.91,412 1.901,413 4.325,414 2.447,415 1.454,416 2.101,418 3.663,419 1.436,420 2.82,421 1.579,422 4.042,423 2.411,424 1.42,425 1.948,427 3.502,428 1.405,429 2.5,430 1.487,431 3.848,432 2.306,433 1.414,434 1.5,436 3.087,437 1.201,438 2.442,439 1.376,440 3.677,441 2.167,442 1.201,443 1.429,445 2.963,446 1.147,447 2.276,448 1.147,449 3.598,450 1.86,451 0.887,452 1.196,454 2.26,455 0.859,456 1.988,457 0.948,458 3.542,459 1.8,460 0.818,461 0.94,463 2.042,464 0.794,465 1.434,466 0.704,467 3.13,468 1.044,469 0.166,470 0.201,472 0.396,473 0.122,474 15.562,475 0.502,476 0.816,477 0.026,478 42.75,479 1.379,480 23,481 0.742,482 19.75,483 0.637,484 29.161,485 0.941,486 30.638,487 0.601,488 31.763,489 1.025,490 7.821,491 0.252,492 7.293,493 0.235,494 0.118,496 0.418,501 0.715,502 0.904,503 0.543,504 0.736,505 0.794,506 0.733,507 0.62,508 1.024,509 0.593,510 0.867,511 0.561,512 0.858,513 0.825,514 1.076,515 0.698,516 0.929,517 0.742,518 0.891,519 1.15,520 1.038,521 0.815,522 0.951,523 1.039,524 0.959,525 1.32,526 1.019,527 0.766,528 0.872,529 1.105,530 0.906,531 1.283,532 1.015,533 0.814,534 0.855,535 1.144,536 0.918,537 0.853,538 0.98,539 0.883,540 0.937,541 0.866,542 0.962,543 0.675,544 1.091,545 1.161,546 1.2,547 0.866,548 1.198,549 5,550 0.091,551 4,552 2.563,553 2.893,554 1.403,555 1.193,556 0.759,557 0.434,558 0.241,559 11618,560 30721,561 2.217,562 39.2,563 7,564 9,567 2,568 2,572 1.748,573 2.09,574 3.111,575 0.129,582 76.644,583 1.503,584 3.602,585 4.471,586 5.148,587 5.437,588 5.476,589 2.413,590 4.954,591 4.925,592 3.254,593 1513.22,594 8.67,595 20028.1,600 289.294,601 1.359,602 4.895,603 0.139,604 0.008,605 0.074,606 0.041,607 0.049,608 0.024,609 0.021,610 0.014,611 0.01,612 0.009,613 0.389,614 0.67,615 0.75,616 0.486,617 154.505,618 -0.047,619 0.098,620 0.012,621 0.068,622 -0.088,623 0.071,624 0.098,625 -0.055,626 0.05,627 -0.007,628 0.086,629 0.009,630 0.081,631 -0.089,632 0.127,633 -0.004,634 0.104,635 0.037,636 -0.048,637 0.013,638 -0.068,639 -0.047,640 -0.038,641 -0.053,642 -0.174,643 0.026,644 -0.051,645 0.037,646 -0.114,647 0.004,648 -0.171,649 0.024,650 -0.023,651 0.065,652 -0.122,654 0.108,655 0.014,656 0.081,657 0.032,658 0.116,659 0.007,660 0.153,661 -0.159,662 -0.032,663 -0.186,664 0.099,665 -0.185,666 1.46,667 2.993,668 0.903,669 25.195,670 1,671 1.103,672 5.916,673 34.997,674 0.741,675 3.611,676 4.007,677 4.394,678 4.762,679 5.136,680 5.347,681 5.635,682 5.905,683 6.129,684 6.234,685 5.549,686 0.7,687 447.38,688 3.611,689 5.198,690 6.107,691 7.034,692 7.962,693 8.899,694 9.836,695 10.778,696 11.72,697 12.666,698 3.9,702 1,708 1,714 2,715 9,716 1,720 10,722 23,733 1,739 1,740 2,741 51,743 23,744 3,745 36,747 56,748 26,749 21,750 7,751 9,756 6,757 16,758 2,767 4,768 1,770 4,772 21,773 5,774 1,793 20,794 3,795 2,796 5,797 2,802 2,808 0.333,809 1,822 1,829 6,833 4,859 2,865 2,868 31,869 1,876 4,878 1,880 1,892 2,893 2,898 1,901 14.833,902 9.319,903 6.556,904 3.31,907 4.623,908 1.516,909 1.075,910 4.55,911 13.581,912 3.882,913 4.58,914 5.255,915 5.913,916 6.574,917 6.991,918 7.529,919 8.095,920 8.615,921 8.989,922 0.833,923 62,924 11.485,926 5.16,927 0.026,929 7.566,931 22.389,933 19.833,936 2.066,937 64.056,941 211.88,942 135.885,943 49.683,944 78.297,945 11,948 135.885,949 301.177,950 49.683,952 10.138,953 118.183,954 16.786,955 46.646,956 4.815,957 211.88,958 78.297,959 211.88,960 185.568,961 11,962 78.297,964 211.88,965 11,968 12.895,969 155.888,970 95.083,972 211.88,973 60.683,974 214.183,977 211.88,978 50.599,979 85.286,981 138.98,982 211.88,983 60.683,984 214.183,986 0.596,987 0.369,988 0.21,989 0.125,990 31,991 13,992 0.018,993 1,994 4,995 1.286,996 4.013,997 329.111,998 0.286,999 28,1000 151.58,1005 19.271,1006 7.319,1007 2.996,1008 2.192,1009 60.683,1010 18.315,1011 4.975,1015 8.571,1017 32.897,1018 486.745,1019 47.5,1031 51.014,1032 56.246,1034 0.265,1035 0.635,1036 0.788,1037 0.908,1038 0.959,1039 0.965,1040 5.158,1041 1.737,1042 6.12,1043 6.162,1044 4.691,1045 5.268,1046 1.659,1047 7.027,1048 4.609,1049 6.4,1050 1.454,1051 7.735,1052 5.054,1053 4.369,1054 5.207,1055 1.06,1056 8.091,1057 4.215,1058 7.744,1059 1.42,1060 9.452,1061 3.663,1062 6.372,1063 7.571,1064 1.782,1065 11.277,1066 6.235,1067 9.126,1068 1.414,1069 11.229,1070 3.502,1071 6.878,1072 8.321,1073 1.679,1074 13.175,1075 6.691,1076 10.539,1077 1.201,1078 13.044,1079 3.087,1080 8.36,1081 10.171,1082 2.12,1083 15.896,1084 8.182,1085 11.976,1086 0.887,1087 14.885,1088 2.963,1089 9.246,1090 11.3,1091 2.248,1092 18.143,1093 9.035,1094 13.431,1095 0.818,1096 16.746,1097 2.26,1098 10.534,1099 12.941,1100 2.595,1101 20.714,1102 10.321,1103 3.422,1104 0.166,1105 18.621,1106 2.042,1107 11.592,1108 14.254,1109 2.825,1110 23.114,1111 11.357,1112 3.066,1113 12.633,1114 20.508,1115 0.396,1116 12.811,1117 15.806,1118 3.141,1119 25.639,1120 12.567,1121 2.885,1122 10.753,1123 22.405,1124 4.55,1125 13.947,1126 17.209,1127 3.415,1128 28.105,1129 13.684,1130 2.656,1131 9.725,1132 24.31,1133 4.287,1134 15.148,1135 18.724,1136 3.723,1137 30.622,1138 14.871,1139 2.273,1140 8.255,1141 26.222,1142 3.895,1143 16.32,1144 20.171,1145 4.015,1146 33.119,1147 16.025,1148 2.195,1149 7.641,1150 28.141,1151 3.445,1152 17.519,1153 21.672,1154 4.322,1155 35.636,1156 17.208,1157 1.989,1158 7.055,1159 30.064,1160 2.976,1161 18.711,1162 23.142,1163 4.622,1164 38.148,1165 18.38,1166 10600,1167 17416,1168 24.679,1169 37.796,1170 55.46,1171 56.754,1172 57.565,1173 55.457,1174 55.301,1175 73.125,1176 4.44,1177 170.734,1178 52.625,1179 5.68,1180 5.78,1181 6.862,1182 5.506,1183 5.422,1184 7.55,1185 2.22,1186 20.409,1187 5.349,1188 12.291,1189 1.541,1190 1.576,1191 1.599,1192 1.54,1193 1.536,1194 2.031,1195 0.123,1196 4.743,1197 1.462,1198 4.157,1199 4.173,1200 4.165,1201 4.103,1202 5.147,1203 4.105,1204 3.965,1205 3.995,1206 4.051,1207 3.909,1208 5.032,1209 3.905,1210 3.877,1211 3.897,1212 3.905,1213 3.825,1214 4.93,1215 3.817,1216 3.601,1217 3.638,1218 3.559,1219 3.515,1220 4.7,1221 3.506,1222 3.396,1223 3.447,1224 3.4,1225 3.298,1226 4.491,1227 3.289,1228 3.153,1229 3.23,1230 3.29,1231 3.002,1232 4.376,1233 2.993,1234 3.083,1235 3.133,1236 3.239,1237 2.954,1238 4.232,1239 2.951,1240 2.989,1241 3.023,1242 3.039,1243 2.892,1244 4.159,1245 2.878,1246 0.132,1247 0.105,1248 0.199,1249 0.122,1250 0.095,1251 4.735,1252 0.126,1253 3.78,1254 0.038,1255 7.179,1256 0.351,1257 4.4,1258 0.093,1259 3.422,1260 4.55,1261 1.36,1262 12.633,1263 3.349,1264 2.11,1265 2.097,1266 2.176,1267 2.179,1268 1.434,1269 2.177,1270 1.957,1271 1.931,1272 2.079,1273 2.048,1274 1.343,1275 2.06,1276 1.868,1277 1.846,1278 1.956,1279 1.934,1280 1.151,1281 1.952,1282 1.59,1283 1.558,1284 1.722,1285 1.717,1286 0.9,1287 1.728,1288 1.401,1289 1.356,1290 1.576,1291 1.537,1292 0.749,1293 1.555,1294 1.134,1295 1.066,1296 1.453,1297 1.372,1298 0.68,1299 1.395,1300 1.083,1301 1.032,1302 1.28,1303 1.248,1304 0.463,1305 1.265,1306 0.967,1307 0.936,1308 1.164,1309 1.149,1310 0.293,1311 1.162,1312 4.29,1314 5.666,1316 7.265,1318 8.968,1320 10.727,1323 12.658,1326 6.811,1328 4.168,1330 6.493,1332 -0.127,1340 35.681,1341 76.644,1342 183.706,1343 228.009,1344 262.539,1345 277.294,1346 279.294,1347 46.119,1348 8.959,1349 48.14,1350 48.14,1351 36,1352 13.158,1353 4.585,1354 3.644,1355 39.037,1356 100,1357 109,1358 0.189,1359 217.86,1360 372.77,1361 523.339,1362 103803,1363 3.9,1364 21.112,1365 0.681,1366 0.59,1367 22.112,1368 18.303,1369 15.114,1370 0.42,1371 0.315,1372 10.579,1373 14.342,1374 10.299,1375 8.422,1376 15.692,1377 11.327,1378 14.095,1379 0.261,1380 0.169,1381 14.836,1382 9.105,1383 13.036,1384 0.163,1385 0.091,1386 13.95,1387 7.245,1388 11.562,1389 0.1,1390 0.046,1391 11.948,1392 5.318,1393 10.461,1394 0.062,1395 0.024,1396 10.841,1397 4.136,1398 0.281,1399 98.549,1400 0.201,1401 27.895,1402 0.576,1403 180,1404 439.1,1405 218.438,1406 497.146,1407 686.92,1408 466,1409 224,1410 485.66,1411 259.71,1412 514.914,1413 773.22,1414 489,1415 5.295}
{0 CHEMBL220849,1 1.481,2 5.5,3 2.394,4 5.73,5 62.498,6 7.581,7 0.833,8 3.457,9 3.567,10 3.054,11 3.042,12 4.603,13 3.025,14 3.946,15 4.113,16 3.445,17 3.436,18 5.023,19 3.414,20 4.115,21 4.273,22 3.51,23 3.573,24 5.21,25 3.529,26 4.219,27 4.408,28 3.37,29 3.584,30 5.214,31 3.49,32 4.198,33 4.433,34 3.014,35 3.399,36 5.165,37 3.237,38 4.041,39 4.352,40 2.552,41 2.975,42 4.93,43 2.779,44 3.463,45 3.765,46 1.71,47 2.195,48 4.529,49 1.974,50 2.63,51 2.986,52 0.454,53 1.193,54 3.466,55 0.949,56 0.022,57 0.402,58 5.48,59 2.464,60 6.164,61 3.114,62 0.06,63 0.661,64 9.937,65 3.925,66 9.167,67 5.246,68 0.12,69 0.773,70 11.779,71 4.731,72 14.362,73 6.103,74 0.089,75 0.83,76 13.579,77 5.531,78 10.047,79 7.414,80 0.124,81 0.762,82 14.447,83 5.839,84 17.043,85 8.128,86 0.124,87 0.601,88 14.366,89 5.062,90 22.771,91 7.29,92 0.177,93 0.301,94 8.474,95 2.681,96 27.029,97 3.634,98 0.09,99 0.117,100 4.04,101 1.088,102 13.596,103 1.482,104 10,105 27,106 0.283,107 0.652,108 0.786,109 0.854,110 0.854,111 0.854,112 2.858,113 0.868,114 -2.52,115 -2.55,116 -2.49,121 46.4,122 1,126 1,144 4,145 2,146 1,147 1,148 1,154 2,176 4,180 5,185 2,187 4,191 1,192 5,197 2,200 5,206 1,211 1,214 4,219 2,222 1,224 1,227 3,232 1,239 1,247 1,249 1,281 184,282 10.707,283 10.707,284 10.707,285 10.707,286 10.707,287 8.882,288 7.744,289 6.076,290 10.912,291 8.856,292 8.856,293 8.856,294 8.856,295 8.856,296 6.141,297 7.051,298 2.854,299 9.193,300 3.326,301 1.397,302 0.697,303 0.34,304 0.34,305 0.34,306 3.526,311 1,312 1,313 190,314 1.871,317 19.296,318 53.931,321 77.823,325 0.875,326 9.977,329 1,330 0.83,331 1,332 0.6,333 0.5,334 1,335 1,336 0.85,337 34,338 88,339 4.85,340 3.416,341 7.107,342 4.347,343 3.377,344 4.965,346 12.295,347 3.277,348 4.02,349 2.718,350 6.03,351 3.548,352 2.577,353 3.697,355 8.4,356 2.5,357 3.601,358 2.392,359 5.607,360 3.129,361 2.186,362 3.068,364 6.938,365 2.056,366 3.488,367 2.147,368 4.995,369 3.032,370 2.061,371 2.886,373 5.836,374 1.995,375 2.952,376 1.617,377 4.606,378 2.445,379 1.5,380 2.158,382 4.27,383 1.413,384 2.705,385 1.306,386 3.886,387 2.236,388 1.253,389 1.794,391 3.037,392 1.231,393 2.34,394 0.97,395 3.567,396 1.879,397 0.91,398 1.276,400 2.2,401 0.88,402 1.185,403 0.112,404 2.65,405 0.77,406 -0.176,407 -0.228,409 -0.417,410 -0.165,411 0.973,412 -0.003,413 2.559,414 0.629,415 -0.32,416 -0.379,418 -0.741,419 -0.303,420 0.927,421 -0.384,422 2.331,423 0.483,424 -0.479,425 -0.669,427 -1.262,428 -0.458,429 0.542,430 -0.908,431 2.322,432 0.046,433 -0.94,434 -1.379,436 -2.765,437 -0.924,438 0.077,439 -0.98,440 1.755,441 -0.284,442 -1.195,443 -1.539,445 -3.089,446 -1.089,447 -0.075,448 -1.211,449 1.724,450 -0.418,451 -1.382,452 -1.831,454 -3.487,455 -1.328,456 -0.244,457 -1.472,458 1.327,459 -0.635,460 -1.572,461 -2.157,463 -4.594,464 -1.476,465 -0.415,466 -1.876,467 1.251,468 -0.896,469 -1.889,470 -2.81,472 -5.79,473 -1.788,474 7.633,475 0.477,476 0.49,477 0.031,478 23,479 1.438,480 12.5,481 0.781,482 10.5,483 0.656,484 9.851,485 0.616,486 16.367,487 0.585,488 13.906,489 0.869,490 4.585,491 0.287,492 3.097,493 0.194,494 0.175,496 0.445,501 0.953,502 1.225,503 0.773,504 0.955,505 0.982,506 0.863,507 0.852,508 0.991,509 0.673,510 0.746,511 0.529,512 0.681,513 1.095,514 0.989,515 0.99,516 0.934,517 1.008,518 0.94,519 0.903,520 1.177,521 1.175,522 1.204,523 0.726,524 1.215,525 0.628,526 1.176,527 1.209,528 1.35,529 0.74,530 1.356,531 0.868,532 0.885,533 0.897,534 0.963,535 0.933,536 0.94,537 1.791,538 0.725,539 1.193,540 0.887,541 2.257,542 0.977,543 2.594,544 0.15,545 1.08,546 0.194,547 3.103,548 0.426,549 3,551 2.222,552 2.236,553 1.022,554 0.521,555 0.158,556 0.028,559 1724,560 4493,561 2.097,562 42.9,564 7,566 1,567 1,568 3,572 1.56,573 1.92,574 2.528,575 -0.291,577 1,579 1,582 41.481,583 1.481,584 3.41,585 4.111,586 4.468,587 4.468,588 4.468,589 1.954,590 3.625,591 3.976,592 2.562,593 307.435,594 6.736,595 2559.49,597 1,599 1,600 134.606,601 1.505,602 3.912,603 0.167,605 0.082,606 0.08,607 0.044,608 0.037,609 0.02,610 0.014,613 0.444,614 1,615 1,616 0.703,617 61.501,618 -0.082,619 -0.151,620 0.04,621 0.004,622 -0.164,623 0.027,624 -0.043,625 0.093,626 0.205,627 0.197,628 0.087,629 0.233,630 -0.119,631 0.082,632 -0.115,633 0.005,634 -0.123,635 -0.045,636 -0.136,637 -0.165,638 -0.288,639 -0.251,640 -0.069,641 -0.28,642 0.091,643 -0.254,644 -0.263,645 -0.374,646 -0.004,647 -0.366,648 0.066,649 -0.045,650 0.192,651 0.026,652 0.096,653 0.113,654 0.034,655 0.066,656 -0.003,657 0.086,658 -0.058,659 0.035,660 -0.427,661 0.595,662 0.251,663 0.784,664 -0.501,665 0.628,666 1.366,667 3.543,668 0.813,669 7.563,670 0.998,671 1.117,672 1.29,673 1.665,674 0.688,675 2.944,676 3.332,677 3.689,678 4.043,679 4.29,680 4.357,681 4.419,682 4.454,683 4.234,684 3.871,685 3.514,686 0.657,687 212.27,688 2.944,689 4.511,690 5.407,691 6.333,692 7.252,693 8.185,694 9.111,695 10.046,696 10.975,697 11.91,698 7.1,706 1,708 1,714 4,715 5,716 1,720 2,721 1,722 15,738 1,741 28,743 15,744 1,745 18,747 30,748 13,749 11,750 3,751 3,756 3,757 6,763 1,772 11,773 2,790 1,793 12,794 2,795 1,796 3,802 2,808 0.333,809 1,822 1,824 1,828 1,829 2,832 2,859 1,864 2,868 16,875 1,893 3.6,895 1,901 8.333,902 5.767,903 3.417,904 1.606,907 3.253,908 1.499,909 1.004,910 1.87,911 9.766,912 3.277,913 4.047,914 4.808,915 5.56,916 6.209,917 6.647,918 7.116,919 7.557,920 7.683,921 7.777,922 0.75,923 28,924 5.876,926 2.522,927 0.026,929 7.688,931 11.29,933 9.453,936 2.188,937 35,938 0.003,941 129.482,942 76.365,943 18.685,945 42.683,948 76.365,949 172.165,950 18.685,951 17.222,953 37.905,954 71.24,955 18.849,956 4.288,957 117.711,959 129.482,960 95.05,961 42.683,964 129.482,965 42.683,968 22.528,969 55.736,970 16.786,972 129.482,973 61.368,974 76.365,977 129.482,978 12.191,979 66.073,981 59.469,982 129.482,983 61.368,984 76.365,986 0.599,987 0.369,988 0.216,989 0.123,990 16,991 7,994 2,995 1.308,996 2.737,997 119.885,998 0.308,999 13,1000 64,1005 9.519,1006 3.143,1007 1.228,1008 4.455,1009 59.469,1010 9.246,1011 4.303,1015 1.31,1016 2.118,1017 42.683,1018 267.215,1019 25.5,1031 27.949,1032 31.282,1034 0.308,1035 0.709,1036 0.855,1037 0.929,1038 0.929,1039 0.929,1040 4.519,1041 -0.176,1042 5.434,1043 2.2,1044 4.007,1045 4.732,1047 6.344,1048 3.937,1049 5.801,1050 -0.32,1051 7.055,1052 -0.417,1053 3.761,1054 4.808,1056 7.434,1057 3.647,1058 7.166,1059 -0.479,1060 8.78,1061 -0.741,1062 5.687,1063 7.186,1065 10.617,1066 5.556,1067 8.575,1068 -0.94,1069 10.564,1070 -1.262,1071 6.256,1072 8.107,1074 12.566,1075 6.085,1076 10.019,1077 -1.195,1078 12.387,1079 -2.765,1080 7.708,1081 9.986,1083 15.292,1084 7.52,1085 11.489,1086 -1.382,1087 14.237,1088 -3.089,1089 8.65,1090 11.298,1092 17.59,1093 8.426,1094 12.981,1095 -1.572,1096 16.109,1097 -3.487,1098 9.936,1099 12.993,1101 20.168,1102 9.69,1103 3.377,1104 -1.889,1105 17.996,1106 -4.594,1107 11.039,1108 14.476,1110 22.6,1111 10.76,1112 2.577,1113 12.295,1114 19.898,1115 -5.79,1116 12.27,1117 16.106,1119 25.13,1120 11.966,1121 2.186,1122 8.4,1123 21.809,1124 4.965,1125 13.44,1126 17.66,1128 27.611,1129 13.104,1130 2.061,1131 6.938,1132 23.73,1133 3.697,1134 14.656,1135 19.268,1137 30.126,1138 14.293,1139 1.5,1140 5.836,1141 25.657,1142 3.068,1143 15.853,1144 20.85,1146 32.625,1147 15.458,1148 1.253,1149 4.27,1150 27.591,1151 2.886,1152 17.066,1153 22.453,1155 35.135,1156 16.643,1157 0.91,1158 3.037,1159 29.529,1160 2.158,1161 18.274,1162 24.046,1164 37.64,1165 17.82,1166 1736,1167 2866,1168 11.849,1169 19.273,1170 28.078,1171 27.63,1172 29.595,1173 27.778,1174 27.73,1175 39.686,1177 85.951,1178 26.701,1179 5.35,1180 5.416,1181 6.634,1182 5.383,1183 5.377,1184 7.965,1186 19.733,1187 5.277,1188 7.56,1189 1.56,1190 1.535,1191 1.644,1192 1.543,1193 1.541,1194 2.205,1196 4.775,1197 1.483,1198 4.223,1199 4.252,1200 4.198,1201 4.14,1202 6.471,1203 4.151,1204 3.687,1205 3.723,1206 3.626,1207 3.583,1208 5.024,1209 3.588,1210 3.351,1211 3.429,1212 3.235,1213 3.139,1214 4.581,1215 3.149,1216 3.191,1217 3.267,1218 3.026,1219 3.046,1220 4.071,1221 3.032,1222 2.901,1223 2.972,1224 2.748,1225 2.766,1226 3.92,1227 2.753,1228 2.847,1229 2.909,1230 2.643,1231 2.635,1232 3.712,1233 2.622,1234 2.437,1235 2.52,1236 2.213,1237 2.222,1238 3.389,1239 2.207,1240 2.292,1241 2.382,1242 2.11,1243 2.044,1244 3.194,1245 2.05,1246 0.269,1247 0.19,1248 0.395,1249 0.241,1250 0.188,1251 4.85,1252 0.276,1253 3.416,1255 7.107,1256 0.683,1257 4.347,1258 0.182,1259 3.377,1260 4.965,1262 12.295,1263 3.277,1264 1.969,1265 1.953,1266 2.039,1267 2.039,1268 1.198,1269 2.04,1270 1.868,1271 1.829,1272 1.968,1273 2.026,1274 1.101,1275 2.012,1276 1.303,1277 1.232,1278 1.605,1279 1.556,1280 0.661,1281 1.571,1282 1.214,1283 1.134,1284 1.531,1285 1.417,1286 0.588,1287 1.462,1288 0.904,1289 0.846,1290 1.154,1291 1.089,1292 0.211,1293 1.112,1294 0.793,1295 0.745,1296 1.003,1297 1.06,1298 0.101,1299 1.043,1300 0.583,1301 0.498,1302 0.867,1303 0.817,1305 0.842,1306 0.251,1307 0.15,1308 0.614,1309 0.588,1311 0.603,1312 3.611,1314 4.977,1315 2.398,1316 6.555,1317 4.949,1318 8.232,1319 7.235,1320 9.961,1322 4.025,1327 9.543,1340 18.392,1341 41.481,1342 95.487,1343 115.096,1344 125.096,1345 125.096,1346 125.096,1347 16.859,1348 6.513,1349 38.05,1350 38.05,1351 17,1352 12.41,1353 4,1354 3.087,1355 21.556,1356 36,1357 30,1358 0.345,1359 113.311,1360 178.63,1361 268.239,1362 4572,1364 11.284,1365 0.705,1366 0.577,1367 11.284,1368 9.228,1369 7.682,1370 0.427,1371 0.289,1372 5.149,1373 7.438,1374 4.941,1375 4.123,1376 7.682,1377 5.21,1378 7.254,1379 0.269,1380 0.15,1381 7.254,1382 4.053,1383 6.398,1384 0.164,1385 0.079,1386 6.398,1387 3.074,1388 5.769,1389 0.103,1390 0.042,1391 5.769,1392 2.352,1393 4.716,1394 0.066,1395 0.021,1396 4.716,1397 1.546,1398 0.49,1399 47.743,1400 0.291,1401 15.363,1402 1.118,1403 90,1404 233.44,1405 96.239,1406 232.281,1407 328.78,1408 218,1409 111,1410 254.664,1411 117.685,1412 261.328,1413 385.05,1414 246,1415 5}
{0 CHEMBL220905,1 1.505,2 6,3 2.008,4 4.03,5 58.706,6 7.663,7 0.882,8 3.399,9 3.513,10 3.002,11 2.966,12 4.545,13 2.958,14 3.871,15 4.026,16 3.377,17 3.375,18 4.968,19 3.354,20 4.071,21 4.239,22 3.35,23 3.479,24 5.151,25 3.41,26 4.113,27 4.352,28 3.107,29 3.339,30 5.04,31 3.225,32 3.841,33 4.086,34 2.815,35 3.018,36 4.852,37 2.904,38 3.609,39 3.863,40 2.39,41 2.672,42 4.604,43 2.541,44 3.173,45 3.428,46 1.778,47 2.215,48 4.148,49 2.032,50 2.89,51 3.233,52 1.126,53 1.734,54 3.611,55 1.478,56 0.029,57 0.385,58 5.13,59 2.195,60 6.101,61 2.745,62 0.058,63 0.62,64 8.867,65 3.544,66 7.277,67 4.64,68 0.099,69 0.72,70 11.317,71 4.764,72 14.706,73 6.164,74 0.098,75 0.714,76 13.42,77 5.089,78 14.813,79 7.069,80 0.124,81 0.529,82 10.418,83 3.821,84 14.692,85 5.345,86 0.094,87 0.4,88 8.588,89 2.969,90 15.408,91 4.026,92 0.117,93 0.242,94 5.631,95 1.996,96 12.531,97 2.723,98 0.04,99 0.172,100 4.71,101 1.614,102 6.706,103 2.41,104 5,105 25,106 0.292,107 0.657,108 0.773,109 0.862,110 0.877,111 0.877,112 2.799,113 0.873,114 -2.25,115 -2.29,116 -2.26,121 46.2,126 1,144 4,145 2,146 1,147 2,154 2,176 4,185 5,187 4,189 1,197 5,199 1,200 4,203 1,211 1,214 2,216 1,223 1,224 1,227 1,229 2,241 1,250 1,281 160,282 10.102,283 10.102,284 10.102,285 10.102,286 10.102,287 8.363,288 5.319,289 5.818,290 10.302,291 8.409,292 8.409,293 8.409,294 8.409,295 8.409,296 5.787,297 3.663,298 2.802,299 8.746,300 3.195,301 1.318,302 0.721,303 0.26,304 0.183,305 0.183,306 3.471,311 1,312 1,313 197,314 1.732,317 17.757,318 50.928,321 72.395,325 0.933,326 8.682,329 1,330 0.67,331 0.83,332 0.6,334 1,335 1,336 0.73,337 32,338 90,339 4.716,340 3.231,341 6.764,342 4.201,343 3.22,344 4.815,346 11.137,347 3.159,348 3.964,349 2.638,350 5.657,351 3.474,352 2.518,353 3.625,355 7.514,356 2.409,357 3.561,358 2.359,359 5.005,360 3.104,361 2.171,362 2.967,364 5.869,365 2.018,366 3.34,367 1.928,368 4.965,369 2.836,370 1.873,371 2.734,373 5.688,374 1.797,375 3.152,376 1.713,377 4.72,378 2.644,379 1.683,380 2.446,382 4.928,383 1.612,384 2.585,385 1.101,386 3.829,387 2.086,388 1.093,389 1.626,391 2.825,392 1.084,393 1.934,394 0.538,395 3.149,396 1.418,397 0.463,398 0.673,400 1.144,401 0.44,402 1.139,403 0.006,404 2.492,405 0.729,406 -0.222,407 -0.286,409 -0.532,410 -0.209,411 0.931,412 -0.29,413 2.363,414 0.457,415 -0.472,416 -0.621,418 -1.228,419 -0.435,420 0.628,421 -0.78,422 2.252,423 0.159,424 -0.824,425 -1.186,427 -2.449,428 -0.802,429 0.439,430 -0.911,431 2.183,432 -0.063,433 -1,434 -1.416,436 -2.857,437 -0.935,438 -0.012,439 -1.193,440 1.706,441 -0.385,442 -1.313,443 -1.759,445 -3.414,446 -1.221,447 -0.039,448 -1.303,449 1.354,450 -0.452,451 -1.395,452 -1.96,454 -3.846,455 -1.32,456 -0.408,457 -1.873,458 1.098,459 -0.892,460 -1.884,461 -2.804,463 -5.597,464 -1.786,465 -0.43,466 -1.905,467 1.049,468 -0.978,469 -1.913,470 -2.854,472 -5.796,473 -1.872,474 7.133,475 0.476,476 0.435,477 0.029,478 21.5,479 1.433,480 11.5,481 0.767,482 10,483 0.667,484 8.187,485 0.546,486 15.367,487 0.591,488 12.618,489 0.841,490 4.352,491 0.29,492 2.885,493 0.192,494 0.117,496 0.407,501 1.054,502 1.189,503 0.785,504 0.889,505 1.01,506 0.811,507 0.903,508 1,509 0.778,510 0.805,511 0.517,512 0.761,513 0.951,514 1.092,515 1.084,516 1.131,517 0.985,518 1.131,519 0.81,520 1.078,521 1.001,522 1.074,523 0.747,524 1.063,525 0.766,526 0.969,527 0.988,528 1.056,529 0.763,530 1.048,531 1.349,532 1.038,533 1.179,534 1.102,535 1.339,536 1.117,537 1.149,538 0.892,539 1.305,540 1.126,541 1.703,542 1.24,543 0.634,544 0.757,545 0.83,546 0.931,547 0.614,548 0.912,549 3.5,551 1.778,552 1.389,553 0.737,554 0.501,555 0.126,556 0.1,559 1569,560 3858,561 2.145,562 42.3,564 7,566 2,567 2,572 1.534,573 2,574 2.639,575 0.431,579 1,582 39.138,583 1.505,584 3.383,585 3.979,586 4.441,587 4.518,588 4.518,589 2.149,590 3.507,591 3.881,592 2.652,593 278.458,594 6.519,595 2183.78,597 1,600 122.211,601 1.429,602 3.837,603 0.206,605 0.071,606 0.06,607 0.043,608 0.042,609 0.018,610 0.033,613 0.474,614 1,615 1,616 0.648,617 56.724,618 -0.136,619 -0.087,620 0.026,621 0.052,622 -0.188,623 0.057,624 -0.106,625 0.1,626 0.069,627 0.13,628 0.072,629 0.133,630 -0.079,631 -0.08,632 -0.214,633 -0.173,634 -0.126,635 -0.21,636 -0.034,637 -0.136,638 -0.037,639 -0.108,640 -0.023,641 -0.078,642 0.142,643 -0.032,644 0.005,645 -0.096,646 0.128,647 -0.066,648 -0.144,649 -0.141,650 -0.135,651 -0.149,652 -0.041,653 -0.141,654 0.127,655 -0.04,656 -0.246,657 -0.152,658 -0.22,659 -0.246,660 0.158,661 0.011,662 0.318,663 0.08,664 0.26,665 0.204,666 1.364,667 3.444,668 0.867,669 7.067,670 1,671 1.118,672 1.018,673 1.037,674 0.688,675 2.89,676 3.258,677 3.555,678 3.892,679 4.159,680 4.22,681 4.304,682 4.382,683 4.078,684 3.871,685 3.598,686 0.659,687 199.25,688 2.89,689 4.443,690 5.313,691 6.221,692 7.116,693 8.028,694 8.932,695 9.847,696 10.754,697 11.669,698 7.7,706 1,708 1,714 4,715 6,717 1,720 1,721 1,722 15,738 1,741 26,743 15,744 1,745 17,747 28,748 12,749 11,750 3,751 3,756 3,757 6,772 11,773 1,790 1,793 11,794 1,795 2,796 3,802 2,803 1,808 0.333,809 1,822 1,824 1,828 1,829 2,832 2,859 1,864 1,868 15,875 1,893 3.8,895 1,901 7.5,902 4.95,903 3.167,904 1.501,907 3.238,908 1.507,909 1.03,910 1.73,911 9.625,912 3.239,913 3.994,914 4.712,915 5.455,916 6.113,917 6.551,918 7.039,919 7.505,920 7.566,921 7.766,922 1,923 23,924 5.505,925 -0.001,926 2.376,927 0.026,929 7.689,931 10.571,933 8.882,936 2.189,937 32.833,938 0.004,941 105.94,942 73.83,943 18.685,945 42.683,948 73.83,949 148.623,950 18.685,951 8.396,953 37.905,954 68.125,955 40.026,956 4.288,957 82.398,959 105.94,960 92.515,961 42.683,964 105.94,965 42.683,968 34.88,969 55.736,970 1.899,972 105.94,973 61.368,974 73.83,977 105.94,978 9.434,979 66.295,980 16.786,981 42.683,982 105.94,983 61.368,984 73.83,986 0.595,987 0.343,988 0.196,989 0.119,990 15,991 6,994 2,995 1.308,996 2.734,997 106.804,998 0.308,999 13,1000 58.603,1005 8.738,1006 2.971,1007 1.292,1008 4.333,1009 42.683,1010 11.455,1012 3.314,1015 0.302,1016 1.998,1017 59.469,1018 241.138,1019 24.5,1031 26.007,1032 29.074,1034 0.32,1035 0.72,1036 0.847,1037 0.945,1038 0.961,1039 0.961,1040 4.463,1041 -0.222,1042 5.323,1043 1.144,1044 3.932,1045 4.677,1047 6.172,1048 3.86,1049 5.732,1050 -0.472,1051 6.901,1052 -0.532,1053 3.611,1054 4.691,1056 7.111,1057 3.496,1058 7.08,1059 -0.824,1060 8.575,1061 -1.228,1062 5.557,1063 7.097,1065 10.244,1066 5.431,1067 8.467,1068 -1,1069 10.305,1070 -2.449,1071 6.019,1072 7.935,1074 12.044,1075 5.866,1076 9.885,1077 -1.313,1078 12.073,1079 -2.857,1080 7.484,1081 9.833,1083 14.707,1084 7.321,1085 11.328,1086 -1.395,1087 13.869,1088 -3.414,1089 8.326,1090 11.074,1092 16.88,1093 8.147,1094 12.791,1095 -1.884,1096 15.688,1097 -3.846,1098 9.6,1099 12.768,1101 19.379,1102 9.409,1103 3.22,1104 -1.913,1105 17.523,1106 -5.597,1107 10.624,1108 14.198,1110 21.7,1111 10.418,1112 2.518,1113 11.137,1114 19.374,1115 -5.796,1116 11.825,1117 15.812,1119 24.141,1120 11.605,1121 2.171,1122 7.514,1123 21.236,1124 4.815,1125 12.929,1126 17.323,1128 26.518,1129 12.695,1130 1.873,1131 5.869,1132 23.108,1133 3.625,1134 14.105,1135 18.908,1137 28.938,1138 13.855,1139 1.683,1140 5.688,1141 24.988,1142 2.967,1143 15.245,1144 20.454,1146 31.336,1147 14.979,1148 1.093,1149 4.928,1150 26.874,1151 2.734,1152 16.413,1153 22.028,1155 33.75,1156 16.13,1157 0.463,1158 2.825,1159 28.765,1160 2.446,1161 17.568,1162 23.589,1164 36.155,1165 17.269,1166 1556,1167 2502,1168 11.444,1169 17.892,1170 26.326,1171 25.98,1172 27.003,1173 26.1,1174 26.043,1175 37.771,1177 78.209,1178 25.036,1179 5.216,1180 5.231,1181 6.067,1182 5.238,1183 5.22,1184 7.815,1186 18.18,1187 5.159,1188 6.158,1189 1.549,1190 1.528,1191 1.588,1192 1.535,1193 1.532,1194 2.222,1196 4.601,1197 1.473,1198 4.221,1199 4.254,1200 4.189,1201 4.131,1202 6.471,1203 4.142,1204 3.744,1205 3.793,1206 3.675,1207 3.609,1208 5.029,1209 3.619,1210 3.32,1211 3.383,1212 3.222,1213 3.106,1214 4.521,1215 3.123,1216 3.094,1217 3.164,1218 2.965,1219 2.939,1220 4.023,1221 2.938,1222 2.815,1223 2.885,1224 2.661,1225 2.679,1226 3.891,1227 2.663,1228 2.734,1229 2.802,1230 2.529,1231 2.552,1232 3.551,1233 2.537,1234 2.339,1235 2.431,1236 2.085,1237 2.001,1238 3.32,1239 1.992,1240 2.172,1241 2.276,1242 1.967,1243 1.832,1244 2.852,1245 1.869,1246 0.277,1247 0.19,1248 0.398,1249 0.247,1250 0.189,1251 4.716,1252 0.283,1253 3.231,1255 6.764,1256 0.655,1257 4.201,1258 0.186,1259 3.22,1260 4.815,1262 11.137,1263 3.159,1264 1.983,1265 1.963,1266 2.061,1267 2.092,1268 1.218,1269 2.083,1270 1.863,1271 1.821,1272 1.966,1273 2.011,1274 1.052,1275 2.003,1276 1.263,1277 1.178,1278 1.552,1279 1.526,1280 0.633,1281 1.533,1282 1.119,1283 1.071,1284 1.313,1285 1.339,1286 0.343,1287 1.338,1288 0.829,1289 0.756,1290 1.125,1291 1.025,1292 0.201,1293 1.063,1294 0.755,1295 0.712,1296 0.987,1297 0.978,1298 0.055,1299 0.979,1300 0.451,1301 0.34,1302 0.822,1303 0.781,1305 0.809,1306 0.051,1308 0.58,1309 0.553,1311 0.572,1312 3.555,1314 4.905,1315 2.398,1316 6.454,1317 4.844,1318 8.095,1319 7.05,1320 9.786,1322 1.989,1327 9.444,1340 17.128,1341 39.138,1342 87.947,1343 103.457,1344 115.457,1345 117.457,1346 117.457,1347 14.555,1348 6.387,1349 39.9,1350 39.9,1351 17,1352 12.183,1353 4,1354 3.087,1355 19.86,1356 34,1357 29,1358 0.329,1359 105.183,1360 162.65,1361 248.405,1362 3983,1364 10.414,1365 0.694,1366 0.561,1367 10.414,1368 8.411,1369 7.237,1370 0.426,1371 0.291,1372 4.882,1373 6.995,1374 4.752,1375 3.962,1376 7.237,1377 4.95,1378 6.92,1379 0.277,1380 0.156,1381 6.92,1382 3.904,1383 5.769,1384 0.17,1385 0.081,1386 5.769,1387 2.738,1388 5.05,1389 0.105,1390 0.042,1391 5.05,1392 2.006,1393 4.369,1394 0.069,1395 0.023,1396 4.369,1397 1.425,1398 0.476,1399 45.106,1400 0.296,1401 14.666,1402 1.024,1403 84,1404 204.815,1405 89.906,1406 205.314,1407 289.94,1408 192,1409 101,1410 225.256,1411 107.352,1412 231.185,1413 338.49,1414 218,1415 5.377}
{0 CHEMBL220959,1 1.412,2 6.778,3 2.747,4 7.547,5 72.963,6 6.895,7 0.75,8 3.654,9 3.777,10 3.182,11 3.183,12 4.691,13 3.155,14 4.191,15 4.391,16 3.554,17 3.577,18 5.116,19 3.546,20 4.301,21 4.459,22 3.666,23 3.777,24 5.271,25 3.719,26 4.51,27 4.708,28 3.551,29 3.85,30 5.396,31 3.728,32 4.579,33 4.855,34 3.276,35 3.717,36 5.342,37 3.536,38 4.366,39 4.655,40 2.958,41 3.418,42 5.104,43 3.222,44 4.07,45 4.369,46 2.475,47 3.016,48 4.801,49 2.804,50 3.653,51 3.951,52 1.888,53 2.572,54 4.35,55 2.323,56 0.026,57 0.505,58 7.883,59 3.202,60 7.695,61 4.42,62 0.161,63 0.816,64 14.752,65 4.965,66 14.306,67 7.066,68 0.139,69 0.944,70 15.727,71 6.238,72 13.112,73 8.591,74 0.118,75 1.105,76 19.739,77 7.862,78 17.445,79 11.146,80 0.21,81 1.072,82 22.431,83 8.468,84 22.195,85 12.368,86 0.128,87 0.825,88 18.329,89 6.895,90 19.25,91 10.002,92 0.217,93 0.577,94 14.137,95 4.791,96 17.917,97 6.901,98 0.094,99 0.368,100 9.166,101 3.304,102 11.75,103 4.699,104 18,105 30,106 0.258,107 0.568,108 0.733,109 0.796,110 0.837,111 0.837,112 2.964,113 0.923,114 -3.04,115 -3.04,116 -2.93,121 42.9,122 1,126 3,144 4,145 2,146 1,147 1,148 1,154 2,176 4,180 5,187 4,189 2,192 6,194 1,200 5,203 1,206 1,214 4,216 1,218 1,219 1,227 3,229 2,239 1,241 1,244 1,246 1,281 274,282 12.077,283 12.077,284 12.077,285 12.077,286 12.077,287 10.252,288 11.232,289 6.737,290 12.464,291 9.74,292 9.74,293 9.74,294 9.74,295 9.74,296 6.948,297 11.757,298 3.069,299 10.254,300 3.717,301 2.018,302 1.115,303 0.772,304 0.543,305 0.543,306 3.634,310 1,311 1,312 1,313 260,314 2.236,317 23.293,318 65.225,321 93.939,325 1.025,326 6.159,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 38,338 122,339 4.867,340 3.446,341 7.136,342 4.366,343 3.399,344 4.98,345 0.86,346 12.393,347 3.291,348 4.15,349 2.903,350 6.219,351 3.688,352 2.734,353 3.84,355 8.998,356 2.61,357 3.716,358 2.659,359 5.613,360 3.284,361 2.359,362 3.152,364 7.05,365 2.176,366 3.544,367 2.157,368 5.426,369 3.061,370 2.093,371 3.008,373 6.703,374 2.023,375 3.239,376 1.929,377 5.153,378 2.766,379 1.821,380 2.538,382 5.784,383 1.713,384 2.708,385 1.464,386 4.171,387 2.253,388 1.277,389 1.799,391 3.351,392 1.245,393 2.394,394 1.123,395 3.745,396 1.968,397 1,398 1.357,400 2.467,401 0.964,402 1.628,403 0.954,404 2.928,405 1.336,406 0.467,407 0.524,409 0.736,410 0.402,411 1.444,412 0.428,413 2.818,414 1.134,415 0.167,416 0.203,418 0.364,419 0.161,420 0.988,421 -0.144,422 2.708,423 0.616,424 -0.345,425 -0.431,427 -0.889,428 -0.33,429 0.821,430 -0.252,431 2.449,432 0.41,433 -0.528,434 -0.687,436 -1.162,437 -0.49,438 0.592,439 -0.769,440 2.131,441 0.124,442 -0.857,443 -1.206,445 -2.517,446 -0.834,447 0.09,448 -1.026,449 2,450 -0.308,451 -1.243,452 -1.566,454 -3.258,455 -1.153,456 -0.16,457 -1.135,458 1.529,459 -0.431,460 -1.389,461 -1.767,463 -3.891,464 -1.294,465 -0.188,466 -1.239,467 1.465,468 -0.56,469 -1.461,470 -1.858,472 -4.079,473 -1.336,474 8.633,475 0.48,476 0.542,477 0.03,478 23.5,479 1.306,480 11.5,481 0.639,482 12,483 0.667,484 13.215,485 0.734,486 19.267,487 0.55,488 15.325,489 0.851,490 4.832,491 0.268,492 3.798,493 0.211,494 0.232,496 0.44,501 0.92,502 1.479,503 0.833,504 1.178,505 0.971,506 1.023,507 1.516,508 0.802,509 0.768,510 0.566,511 0.947,512 0.571,513 1.088,514 1.052,515 1.008,516 0.997,517 0.874,518 0.991,519 0.863,520 1.323,521 1.236,522 1.332,523 1.014,524 1.321,525 0.631,526 0.981,527 1.026,528 1.08,529 0.817,530 1.09,531 0.764,532 1.059,533 0.962,534 1.108,535 0.865,536 1.069,537 1.357,538 0.777,539 1.112,540 0.909,541 1.403,542 0.981,543 1.325,544 1.047,545 1.165,546 1.141,547 1.47,548 1.156,549 3.5,551 2.667,552 2.299,553 1.333,554 0.775,555 0.319,556 0.147,557 0.045,559 2364,560 5045,561 2.053,562 48.6,564 13,566 1,568 3,572 1.594,573 1.862,574 2.758,575 -0.818,577 1,578 1,579 1,582 49.435,583 1.412,584 3.111,585 4.014,586 4.357,587 4.586,588 4.586,589 2.241,590 3.948,591 4.14,592 2.802,593 428.665,594 7.065,595 3829.31,596 1,597 1,599 1,600 179.525,601 1.53,602 4.071,603 0.175,605 0.089,606 0.07,607 0.049,608 0.041,609 0.025,610 0.021,611 0.015,613 0.484,614 1,615 1,616 0.946,617 73.402,618 0.043,619 -0.319,620 0.092,621 -0.141,622 -0.068,623 -0.041,624 -0.164,625 0.311,626 0.234,627 0.392,628 0.072,629 0.365,630 -0.085,631 0.085,632 -0.071,633 0.02,634 -0.017,635 -0.018,636 -0.114,637 -0.267,638 -0.315,639 -0.328,640 -0.22,641 -0.341,642 0.081,643 -0.043,644 -0.072,645 -0.112,646 0.022,647 -0.106,648 0.051,649 -0.181,650 0.008,651 -0.142,652 0.094,653 -0.082,654 -0.005,655 0.083,656 -0.086,657 0.017,658 -0.111,659 -0.036,660 -0.097,661 -0.239,662 -0.157,663 -0.192,664 -0.181,665 -0.189,666 0.763,667 1.82,668 0.722,669 10.111,670 0.99,671 1.123,672 1.81,673 3.276,674 0.662,675 3.045,676 3.434,677 3.807,678 4.127,679 4.407,680 4.533,681 4.654,682 4.71,683 4.564,684 4.304,685 3.984,686 0.62,687 241.34,688 3.045,689 4.615,690 5.517,691 6.441,692 7.366,693 8.298,694 9.231,695 10.167,696 11.102,697 12.04,698 5.7,706 1,708 1,714 4,715 5,720 2,721 2,722 15,739 1,741 35,743 15,744 1,745 20,747 37,748 15,749 11,750 3,751 3,756 3,757 6,763 1,772 11,773 4,790 1,793 17,794 1,796 3,802 2,803 1,808 0.333,809 1,822 1,824 1,828 1,829 2,832 2,859 1,864 4,868 18,878 1,893 2.9,898 1,901 9.667,902 7.783,903 3.944,904 2.043,907 3.252,908 1.481,909 1.009,910 2.557,911 10.008,912 3.35,913 4.115,914 4.879,915 5.614,916 6.284,917 6.768,918 7.266,919 7.718,920 7.899,921 8.043,922 0.8,923 33,924 6.616,926 2.74,927 0.026,929 7.472,931 12.96,933 10.622,936 1.972,937 35.5,938 0.003,941 200.109,942 100.888,943 3.798,945 11,948 100.888,949 211.109,950 3.798,951 36.501,953 37.905,954 13.67,955 35.093,956 4.288,957 188.338,959 200.109,960 104.686,961 11,964 200.109,965 11,968 22.528,969 80.258,970 1.899,972 200.109,973 14.798,974 100.888,977 200.109,978 17.434,979 87.252,981 11,982 200.109,983 14.798,984 100.888,986 0.597,987 0.38,988 0.207,989 0.119,990 17,991 8,992 0.027,993 1,994 2,995 1.308,996 2.888,997 140.648,998 0.308,999 13,1000 71.059,1005 11.54,1006 3.988,1007 1.56,1008 5.043,1009 11,1010 10.516,1015 2.172,1016 4.401,1018 315.795,1019 27.5,1031 34.658,1032 39.32,1034 0.275,1035 0.607,1036 0.783,1037 0.849,1038 0.894,1039 0.894,1040 4.603,1041 0.467,1042 5.549,1043 2.467,1044 4.111,1045 4.8,1046 0.908,1047 6.466,1048 4.022,1049 5.885,1050 0.167,1051 7.182,1052 0.736,1053 3.892,1054 4.913,1056 7.57,1057 3.755,1058 7.256,1059 -0.345,1060 8.914,1061 0.364,1062 5.808,1063 7.255,1064 0.739,1065 10.741,1066 5.645,1067 8.671,1068 -0.528,1069 10.702,1070 -0.889,1071 6.399,1072 8.196,1074 12.676,1075 6.192,1076 10.118,1077 -0.857,1078 12.526,1079 -1.162,1080 7.835,1081 10.052,1082 0.593,1083 15.402,1084 7.609,1085 11.59,1086 -1.243,1087 14.375,1088 -2.517,1089 8.783,1090 11.369,1092 17.687,1093 8.521,1094 13.082,1095 -1.389,1096 16.244,1097 -3.258,1098 10.059,1099 13.053,1100 0.469,1101 20.269,1102 9.774,1103 3.399,1104 -1.461,1105 18.128,1106 -3.891,1107 11.162,1108 14.537,1110 22.695,1111 10.845,1112 2.734,1113 12.393,1114 20.025,1115 -4.079,1116 12.388,1117 16.162,1118 0.366,1119 25.231,1120 12.047,1121 2.359,1122 8.998,1123 21.933,1124 4.98,1125 13.557,1126 17.715,1128 27.712,1129 13.185,1130 2.093,1131 7.05,1132 23.85,1133 3.84,1134 14.772,1135 19.322,1136 0.283,1137 30.233,1138 14.372,1139 1.821,1140 6.703,1141 25.774,1142 3.152,1143 15.969,1144 20.905,1146 32.736,1147 15.538,1148 1.277,1149 5.784,1150 27.705,1151 3.008,1152 17.183,1153 22.508,1154 0.217,1155 35.253,1156 16.723,1157 1,1158 3.351,1159 29.642,1160 2.538,1161 18.393,1162 24.103,1164 37.764,1165 17.902,1166 2398,1167 3579,1168 12.948,1169 23.176,1170 30.628,1171 31.247,1172 32.926,1173 30.614,1174 30.631,1175 42.8,1176 1.72,1177 95.69,1178 29.174,1179 5.422,1180 5.446,1181 6.682,1182 5.403,1183 5.399,1184 7.98,1185 1.72,1186 20.02,1187 5.291,1188 9.691,1189 1.531,1190 1.562,1191 1.646,1192 1.531,1193 1.532,1194 2.14,1195 0.086,1196 4.784,1197 1.459,1198 4.241,1199 4.272,1200 4.215,1201 4.152,1202 5.03,1203 4.164,1204 3.772,1205 3.818,1206 3.706,1207 3.64,1208 4.718,1209 3.65,1210 3.44,1211 3.505,1212 3.331,1213 3.203,1214 4.415,1215 3.224,1216 3.227,1217 3.3,1218 3.073,1219 3.086,1220 4.029,1221 3.073,1222 3.139,1223 3.222,1224 2.93,1225 2.908,1226 3.937,1227 2.898,1228 3.094,1229 3.203,1230 2.827,1231 2.867,1232 3.762,1233 2.844,1234 2.799,1235 2.878,1236 2.592,1237 2.656,1238 3.544,1239 2.629,1240 2.722,1241 2.815,1242 2.467,1243 2.545,1244 3.37,1245 2.514,1246 0.243,1247 0.172,1248 0.357,1249 0.218,1250 0.17,1251 4.867,1252 0.249,1253 3.446,1254 0.043,1255 7.136,1256 0.62,1257 4.366,1258 0.165,1259 3.399,1260 4.98,1261 0.86,1262 12.393,1263 3.291,1264 1.995,1265 1.973,1266 2.074,1267 2.112,1268 1.252,1269 2.101,1270 1.9,1271 1.861,1272 1.998,1273 2.033,1274 1.146,1275 2.026,1276 1.375,1277 1.297,1278 1.657,1279 1.65,1280 0.73,1281 1.653,1282 1.255,1283 1.193,1284 1.571,1285 1.506,1286 0.618,1287 1.529,1288 1.17,1289 1.082,1290 1.554,1291 1.413,1292 0.596,1293 1.468,1294 1.1,1295 0.998,1296 1.47,1297 1.347,1298 0.534,1299 1.394,1300 0.835,1301 0.76,1302 1.131,1303 1.026,1304 0.207,1305 1.068,1306 0.693,1307 0.623,1308 0.939,1309 0.898,1310 0.105,1311 0.923,1312 3.714,1314 5.081,1315 2.398,1316 6.666,1317 4.949,1318 8.347,1319 7.235,1320 10.08,1322 8.049,1330 5.32,1340 21.709,1341 49.435,1342 108.896,1343 140.505,1344 152.505,1345 160.505,1346 160.505,1347 17.186,1348 6.756,1349 18.04,1350 18.04,1351 17,1352 12.537,1353 4,1354 3.087,1355 25.514,1356 45,1357 46,1358 0.319,1359 133.96,1360 214.55,1361 318.621,1362 6134,1364 12.861,1365 0.715,1366 0.625,1367 12.861,1368 11.242,1369 8.63,1370 0.432,1371 0.308,1372 6.049,1373 8.264,1374 5.737,1375 4.846,1376 8.63,1377 6.156,1378 7.929,1379 0.264,1380 0.162,1381 7.929,1382 4.846,1383 7.428,1384 0.169,1385 0.088,1386 7.428,1387 3.892,1388 6.169,1389 0.101,1390 0.045,1391 6.169,1392 2.721,1393 5.141,1394 0.063,1395 0.024,1396 5.141,1397 1.906,1398 0.462,1399 54.178,1400 0.278,1401 17.292,1402 0.997,1403 100,1404 239.714,1405 107.375,1406 233.857,1407 336.23,1408 222,1409 124,1410 262.968,1411 132.514,1412 271.112,1413 399.26,1414 253,1415 5}
{0 CHEMBL221362,1 1.619,2 9.6,3 2.267,4 5.138,5 92.073,6 7.962,7 0.444,8 3.882,9 3.974,10 3.497,11 3.349,12 5.086,13 3.374,14 4.398,15 4.548,16 3.837,17 3.693,18 5.554,19 3.719,20 4.512,21 4.634,22 4.005,23 3.823,24 5.874,25 3.843,26 4.64,27 4.789,28 3.938,29 3.847,30 5.886,31 3.831,32 4.746,33 4.935,34 3.736,35 3.781,36 5.917,37 3.741,38 4.605,39 4.812,40 3.514,41 3.7,42 5.67,43 3.615,44 4.558,45 4.823,46 3.496,47 3.622,48 5.531,49 3.528,50 4.399,51 4.63,52 3.576,53 3.46,54 5.576,55 3.444,56 0.112,57 0.595,58 7.851,59 3.862,60 7.464,61 4.473,62 0.494,63 0.914,64 16.703,65 5.905,66 30.029,67 6.94,68 0.599,69 1.037,70 17.204,71 6.806,72 53.479,73 8.191,74 0.58,75 1.137,76 20.422,77 7.879,78 43.081,79 9.768,80 0.907,81 1.142,82 26.738,83 8.148,84 79.669,85 9.874,86 0.71,87 1.039,88 22.836,89 7.373,90 54.907,91 9.454,92 0.509,93 0.964,94 23.642,95 7.786,96 48.939,97 11.093,98 0.579,99 0.801,100 19.716,101 6.165,102 54.551,103 8.379,104 35,105 38,106 0.283,107 0.593,108 0.697,109 0.763,110 0.783,111 0.816,112 3.267,113 0.844,114 -2.49,115 -2.52,116 -2.46,121 41.9,126 3,128 1,144 6,145 1,146 5,159 1,160 1,176 4,179 1,180 5,183 1,185 2,187 5,191 4,192 6,200 2,205 1,206 9,209 3,211 2,219 3,222 2,224 2,231 2,232 2,237 1,239 4,243 1,244 2,251 4,255 2,256 4,264 2,268 3,269 6,281 814,282 17.093,283 17.093,284 17.093,285 17.093,286 17.093,287 15.483,288 24.43,289 9.816,290 17.72,291 13.077,292 13.077,293 13.077,294 13.077,295 13.077,296 10.303,297 36.345,298 4.312,299 13.765,300 3.808,301 2.031,302 1.431,303 1.053,304 0.943,305 0.75,306 3.946,310 1,311 1,312 1,313 506,314 3.082,317 55.166,318 149.354,321 104.171,325 1.28,326 32.469,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 56,338 240,339 4.584,340 3.979,341 6.968,342 4.29,343 3.303,344 4.13,345 1.219,346 11.718,347 3.264,348 4.419,349 3.373,350 6.523,351 4.004,352 3.06,353 4.102,354 0.86,355 10.257,356 2.88,357 3.614,358 2.989,359 5.638,360 3.262,361 2.314,362 2.969,363 0.86,364 7.12,365 2.194,366 3.573,367 2.78,368 5.538,369 3.163,370 2.147,371 2.88,372 0.86,373 6.67,374 2.167,375 3.355,376 2.555,377 5.281,378 3.032,379 2.061,380 2.604,381 0.557,382 6.575,383 1.991,384 3.328,385 2.502,386 5.19,387 2.972,388 2.052,389 2.473,390 0.21,391 6.118,392 1.867,393 2.842,394 1.986,395 3.867,396 2.361,397 1.354,398 1.97,400 2.966,401 1.36,402 2.466,403 1.862,404 3.726,405 2.081,406 1.195,407 1.422,409 2.778,410 1.062,411 2.256,412 1.334,413 3.64,414 1.947,415 1.026,416 1.2,418 2.332,419 0.927,420 2.088,421 1.249,422 3.271,423 1.663,424 0.662,425 0.85,427 1.485,428 0.65,429 1.576,430 1.015,431 2.859,432 1.27,433 0.396,434 0.452,436 0.603,437 0.342,438 1.488,439 0.916,440 2.799,441 1.186,442 0.322,443 0.35,445 0.428,446 0.272,447 1.346,448 0.642,449 2.49,450 1.022,451 0.015,452 0.02,454 0.033,455 0.015,456 0.875,457 0.115,458 2.382,459 0.511,460 -0.428,461 -0.515,463 -0.809,464 -0.393,465 0.716,466 -0.018,467 2.294,468 0.308,469 -0.673,470 -0.85,472 -1.583,473 -0.637,474 11.467,475 0.459,476 0.572,477 0.023,478 34.25,479 1.37,480 17.5,481 0.7,482 16.75,483 0.67,484 17.428,485 0.697,486 27.533,487 0.64,488 27.101,489 1.084,490 7.33,491 0.293,492 4.77,493 0.191,494 0.189,496 0.384,501 0.809,502 1.427,503 0.709,504 1.219,505 0.585,506 0.984,507 1.201,508 0.824,509 0.818,510 0.686,511 0.754,512 0.648,513 0.785,514 1.214,515 0.795,516 1.084,517 0.749,518 0.96,519 0.877,520 1.391,521 1.023,522 1.335,523 0.934,524 1.245,525 1.499,526 0.989,527 1.318,528 0.947,529 1.356,530 1.063,531 1.159,532 0.935,533 1.314,534 0.981,535 1.029,536 1.145,537 0.639,538 0.787,539 0.722,540 0.818,541 0.696,542 0.795,543 0.789,544 0.706,545 0.617,546 0.722,547 0.807,548 0.627,549 4.5,550 0.103,551 3.333,552 2.986,553 1.547,554 0.813,555 0.375,556 0.328,557 0.413,558 0.27,559 6564,560 20902,561 2.015,562 41.9,564 15,565 2,567 1,572 1.682,573 1.852,574 3.219,575 -0.277,576 1,577 1,579 1,582 69.602,583 1.619,584 3.395,585 3.995,586 4.373,587 4.484,588 4.676,589 2.567,590 4.084,591 4.621,592 3.369,593 1010.76,594 7.996,595 12250,597 1,599 1,600 233.329,601 1.516,602 4.555,603 0.167,604 0.006,605 0.088,606 0.069,607 0.041,608 0.027,609 0.016,610 0.013,611 0.015,612 0.011,613 0.453,614 0.33,615 1,616 1.017,617 119.815,618 -0.065,619 -0.255,620 0.056,621 -0.156,622 -0.055,623 -0.042,624 -0.162,625 0.264,626 0.103,627 0.29,628 -0.065,629 0.272,630 0.188,631 -0.109,632 0.076,633 -0.082,634 0.198,635 -0.039,636 0.068,637 -0.339,638 -0.121,639 -0.346,640 0.006,641 -0.304,642 -0.279,643 -0.032,644 -0.292,645 -0.015,646 -0.197,647 -0.137,648 -0.19,649 0.06,650 -0.33,651 -0.035,652 -0.182,653 -0.186,654 0.08,655 0.122,656 0.305,657 0.16,658 0.064,659 0.271,660 0.177,661 0.219,662 0.429,663 0.233,664 0.168,665 0.383,666 2.221,667 5.197,668 0.6,669 18.742,670 1.021,671 1.125,672 1.264,673 1.598,674 0.66,675 3.332,676 3.664,677 4.007,678 4.277,679 4.443,680 4.419,681 4.466,682 4.543,683 4.595,684 4.7,685 5.841,686 0.647,687 342.38,688 3.332,689 4.875,690 5.753,691 6.648,692 7.542,693 8.442,694 9.34,695 10.241,696 11.141,697 12.044,698 4.7,703 1,705 1,715 6,720 6,722 12,727 1,734 1,739 3,741 43,743 14,744 2,745 27,747 45,748 18,749 12,750 6,751 6,752 2,756 3,757 4,772 14,773 4,777 2,782 2,786 2,789 1,790 1,793 18,794 7,795 1,796 7,802 2,808 0.667,809 5,828 1,829 2,832 1,844 1,859 2,864 3,868 25,876 1,877 1,878 3,881 1,893 11.6,896 2,898 3,901 13.5,902 8.783,903 5.778,904 2.242,907 2.394,908 1.336,909 0.953,910 5.039,911 9.527,912 3.584,913 4.159,914 4.771,915 5.288,916 5.752,917 5.858,918 6.045,919 6.208,920 6.381,921 6.7,922 1,923 43,924 9.237,926 3.905,927 0.026,929 7.973,931 17.076,933 13.427,936 2.473,937 61.833,941 200.109,942 125.451,943 21.135,945 83.29,948 125.451,949 283.398,950 21.135,951 32.649,952 4.801,953 56.857,954 78.139,955 57.429,956 23.542,957 176.567,959 200.109,960 146.586,961 83.29,964 200.109,965 83.29,968 4.801,969 123.774,970 18.011,972 200.109,973 104.425,974 125.451,977 200.109,978 35.944,979 92.631,980 18.011,981 83.29,982 200.109,983 104.425,984 125.451,986 0.574,987 0.375,988 0.214,989 0.11,990 18,991 9,992 0.133,993 6,994 1,995 1.133,996 3.568,997 207.384,998 0.133,999 15,1000 108.096,1005 17.421,1006 7.231,1007 3.116,1009 104.425,1010 10.382,1015 3.145,1017 18.011,1018 429.984,1019 35,1024 24.224,1028 -1.052,1031 43.909,1032 48.365,1034 0.298,1035 0.626,1036 0.736,1037 0.806,1038 0.826,1039 0.862,1040 4.828,1041 1.195,1042 5.753,1043 2.966,1044 4.344,1045 4.844,1046 2.193,1047 6.624,1048 4.261,1049 6.037,1050 1.026,1051 7.356,1052 2.778,1053 4.007,1054 4.718,1055 0.325,1056 7.664,1057 3.917,1058 7.359,1059 0.662,1060 9.061,1061 2.332,1062 5.994,1063 7.032,1064 2.107,1065 10.798,1066 5.852,1067 8.722,1068 0.396,1069 10.826,1070 1.485,1071 6.509,1072 7.722,1073 0.705,1074 12.667,1075 6.355,1076 10.119,1077 0.322,1078 12.628,1079 0.603,1080 7.965,1081 9.524,1082 2.149,1083 15.334,1084 7.779,1085 11.54,1086 0.015,1087 14.455,1088 0.428,1089 8.86,1090 10.584,1091 1.105,1092 17.543,1093 8.659,1094 12.98,1095 -0.428,1096 16.301,1097 0.033,1098 10.127,1099 12.183,1100 2.288,1101 20.059,1102 9.904,1103 3.303,1104 -0.673,1105 18.162,1106 -0.809,1107 11.187,1108 13.42,1109 1.518,1110 22.408,1111 10.949,1112 3.06,1113 11.718,1114 20.033,1115 -1.583,1116 12.389,1117 14.927,1118 2.5,1119 24.873,1120 12.136,1121 2.314,1122 10.257,1123 21.914,1124 4.13,1125 13.518,1126 16.253,1127 1.94,1128 27.278,1129 13.25,1130 2.147,1131 7.12,1132 23.804,1133 4.102,1134 14.7,1135 17.715,1136 2.766,1137 29.728,1138 14.42,1139 2.061,1140 6.67,1141 25.699,1142 2.969,1143 15.856,1144 19.084,1145 2.365,1146 32.157,1147 15.565,1148 2.052,1149 6.575,1150 27.6,1151 2.88,1152 17.034,1153 20.524,1154 3.069,1155 34.603,1156 16.732,1157 1.354,1158 6.118,1159 29.507,1160 2.604,1161 18.203,1162 21.915,1163 2.791,1164 37.044,1165 17.891,1166 6515,1167 11735,1168 17.512,1169 28.375,1170 40.165,1171 42.85,1172 43.074,1173 39.757,1174 39.818,1175 50.847,1176 9.131,1177 118.164,1178 37.984,1179 5.51,1180 5.979,1181 6.646,1182 5.35,1183 5.303,1184 7.13,1185 2.319,1186 18.902,1187 5.264,1188 14.184,1189 1.488,1190 1.587,1191 1.595,1192 1.472,1193 1.475,1194 1.883,1195 0.338,1196 4.376,1197 1.407,1198 4.028,1199 4.052,1200 3.994,1201 3.924,1202 7.497,1203 3.936,1204 3.921,1205 3.931,1206 3.887,1207 3.82,1208 7.352,1209 3.833,1210 3.493,1211 3.54,1212 3.419,1213 3.296,1214 4.981,1215 3.324,1216 3.324,1217 3.361,1218 3.226,1219 3.069,1220 4.713,1221 3.098,1222 3.303,1223 3.355,1224 3.144,1225 3.006,1226 4.58,1227 3.026,1228 3.212,1229 3.287,1230 2.998,1231 2.908,1232 4.472,1233 2.912,1234 3.1,1235 3.175,1236 2.92,1237 2.868,1238 4.333,1239 2.864,1240 2.85,1241 2.918,1242 2.688,1243 2.692,1244 3.932,1245 2.678,1246 0.17,1247 0.147,1248 0.258,1249 0.159,1250 0.122,1251 4.584,1252 0.153,1253 3.979,1254 0.045,1255 6.968,1256 0.434,1257 4.29,1258 0.121,1259 3.303,1260 4.13,1261 1.219,1262 11.718,1263 3.264,1264 1.89,1265 1.869,1266 1.988,1267 2.019,1268 1.11,1269 2.003,1270 1.862,1271 1.848,1272 1.946,1273 1.955,1274 1.064,1275 1.959,1276 1.465,1277 1.435,1278 1.629,1279 1.741,1280 0.776,1281 1.699,1282 1.228,1283 1.182,1284 1.59,1285 1.558,1286 0.584,1287 1.565,1288 1.227,1289 1.163,1290 1.569,1291 1.525,1292 0.572,1293 1.532,1294 1.165,1295 1.081,1296 1.508,1297 1.489,1298 0.556,1299 1.491,1300 1.091,1301 1.019,1302 1.294,1303 1.338,1304 0.296,1305 1.341,1306 0.823,1307 0.76,1308 1.074,1309 1.027,1310 0.153,1311 1.034,1312 4.007,1314 5.333,1315 2.398,1316 6.874,1317 4.949,1318 8.512,1319 7.195,1320 10.2,1322 4.582,1328 0.139,1329 3.117,1330 15.894,1333 1.404,1340 27.831,1341 69.602,1342 145.991,1343 171.781,1344 188.045,1345 192.8,1346 201.065,1347 50.106,1348 7.132,1349 78.79,1350 78.79,1351 17,1352 12.564,1353 3.907,1354 3.17,1355 41.745,1356 90,1357 74,1358 0.234,1359 171.403,1360 305.91,1361 409.983,1362 11090,1364 17.974,1365 0.719,1366 0.566,1367 17.974,1368 14.16,1369 12.1,1370 0.448,1371 0.281,1372 7.396,1373 11.363,1374 7.154,1375 5.984,1376 12.1,1377 7.594,1378 10.318,1379 0.272,1380 0.14,1381 10.318,1382 5.328,1383 9.516,1384 0.176,1385 0.074,1386 9.516,1387 3.985,1388 7.976,1389 0.112,1390 0.039,1391 7.976,1392 2.759,1393 6.309,1394 0.075,1395 0.022,1396 6.309,1397 1.813,1398 0.363,1399 78.093,1400 0.239,1401 23.982,1402 0.653,1403 130,1404 474.656,1405 147.478,1406 437.239,1407 586.9,1408 410,1409 157,1410 417.12,1411 176.502,1412 421.797,1413 619.89,1414 391,1415 4}
{0 CHEMBL221512,1 1.238,2 15.889,3 7.679,4 58.975,5 112.676,6 5.807,7 0.214,8 4.174,9 4.317,10 3.505,11 3.71,12 5.04,13 3.623,14 4.79,15 5.011,16 3.769,17 4.103,18 5.575,19 3.962,20 5.114,21 5.407,22 3.831,23 4.211,24 5.945,25 4.033,26 5.09,27 5.384,28 3.702,29 4.168,30 5.841,31 3.976,32 5.054,33 5.348,34 3.562,35 4.086,36 5.837,37 3.883,38 4.974,39 5.279,40 3.39,41 4.009,42 5.646,43 3.782,44 4.9,45 5.21,46 3.332,47 3.946,48 5.529,49 3.717,50 4.837,51 5.144,52 3.282,53 3.885,54 5.479,55 3.659,56 0.065,57 0.85,58 15.704,59 6.829,60 6.755,61 9.653,62 0.204,63 1.396,64 27.893,65 11.262,66 16.721,67 16.312,68 0.408,69 1.681,70 36.846,71 14.029,72 60.306,73 20.556,74 0.266,75 1.622,76 35.736,77 13.643,78 38.267,79 19.92,80 0.306,81 1.509,82 34.469,83 12.895,84 46.038,85 18.701,86 0.259,87 1.397,88 31.291,89 12.101,90 33.923,91 17.591,92 0.214,93 1.31,94 28.863,95 11.361,96 26.086,97 16.561,98 0.205,99 1.229,100 27.133,101 10.626,102 25.202,103 15.49,104 25,105 34,106 0.202,107 0.373,108 0.483,109 0.581,110 0.66,111 0.728,112 3.338,113 1.201,114 -7.16,115 -6.95,116 -6.43,121 37.5,122 1,123 14,127 1,144 4,145 1,146 1,159 1,160 1,176 18,179 1,180 4,187 17,191 2,192 5,200 14,206 7,214 13,219 6,227 14,232 3,239 14,244 3,251 13,256 3,264 12,269 3,277 11,281 1314,282 18.667,283 18.667,284 18.667,285 18.667,286 18.667,287 17.781,288 10.204,289 12.16,290 18.724,291 13.828,292 13.828,293 13.828,294 13.828,295 13.828,296 12.365,297 13.429,298 5.836,299 13.894,300 4.762,301 3.715,302 3.037,303 2.438,304 1.956,305 1.535,306 4.011,312 1,313 887,314 4.183,317 71.682,318 87.009,321 133.152,325 2.576,326 20.674,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 56.5,338 429,339 4.583,340 3.977,341 6.967,342 4.29,343 3.302,344 4.128,345 1.2,346 11.717,347 3.265,348 3.606,349 2.981,350 5.632,351 3.182,352 2.192,353 2.966,354 0.293,355 7.034,356 2.185,357 3.363,358 2.768,359 5.537,360 3.116,361 2.104,362 2.493,364 6.6,365 2.091,366 2.962,367 1.992,368 3.971,369 2.958,370 1.958,371 1.97,373 3.922,374 1.957,375 2.855,376 1.938,377 3.895,378 2.842,379 1.842,380 1.963,382 3.695,383 1.84,384 2.841,385 1.823,386 3.782,387 2.664,388 1.664,389 1.856,391 3.34,392 1.663,393 2.687,394 1.649,395 3.641,396 2.435,397 1.435,398 1.69,400 2.967,401 1.434,402 2.5,403 1.435,404 3.618,405 2.36,406 1.354,407 1.493,409 2.891,410 1.36,411 2.391,412 1.322,413 3.414,414 2.172,415 1.175,416 1.322,418 2.463,419 1.171,420 2.191,421 1.212,422 3.195,423 1.953,424 0.953,425 1.116,427 2.041,428 0.951,429 1.948,430 1.011,431 2.954,432 1.779,433 0.763,434 0.836,436 1.513,437 0.772,438 1.682,439 0.734,440 2.692,441 1.508,442 0.485,443 0.535,445 0.941,446 0.493,447 1.373,448 0.407,449 2.437,450 1.24,451 0.207,452 0.236,454 0.402,455 0.212,456 1.048,457 0.066,458 2.316,459 0.961,460 -0.061,461 -0.068,463 -0.117,464 -0.062,465 0.823,466 -0.018,467 2.082,468 0.653,469 -0.353,470 -0.382,472 -0.677,473 -0.355,474 13.067,475 0.484,476 0.333,477 0.012,478 24.75,479 0.917,480 9.5,481 0.352,482 15.25,483 0.565,484 30.065,485 1.114,486 31.933,487 0.499,488 13.871,489 0.514,490 3.54,491 0.131,492 9.713,493 0.36,494 0.089,496 0.184,501 0.598,502 1.407,503 1.069,504 1.307,505 0.493,506 1.238,507 0.593,508 1.33,509 1.094,510 1.275,511 0.494,512 1.231,513 0.551,514 0.96,515 0.806,516 0.935,517 0.496,518 0.896,519 0.87,520 0.996,521 0.924,522 0.989,523 0.785,524 0.963,525 1.226,526 0.962,527 1.018,528 0.976,529 1.24,530 0.98,531 0.987,532 0.935,533 0.998,534 0.955,535 1.001,536 0.977,537 0.753,538 0.943,539 0.943,540 0.962,541 0.73,542 0.968,543 0.795,544 0.946,545 0.951,546 0.962,547 0.776,548 0.969,549 2,550 0.074,551 2,552 1.986,553 0.622,554 0.424,555 0.198,556 0.147,557 0.113,558 0.09,559 10973,560 19106,561 1.996,562 57.8,563 29,564 6,569 2,572 1.687,573 1.906,574 3.857,575 -0.879,582 79.211,583 1.238,584 2.285,585 2.963,586 3.562,587 4.044,588 4.465,589 3.334,590 4.282,591 4.722,592 4.112,593 1443.17,594 8.127,595 21795.5,600 384,601 1.16,602 4.704,603 0.071,604 0.004,605 0.059,606 0.057,607 0.021,608 0.017,609 0.009,610 0.007,611 0.006,612 0.005,613 0.257,614 0.5,615 0.75,616 3.17,617 142.283,618 0.021,619 -0.087,620 0.03,621 -0.025,622 0.024,623 -0.002,624 0.107,625 -0.17,626 -0.061,627 -0.152,628 0.061,629 -0.128,630 0.284,631 0.027,632 0.165,633 0.045,634 0.266,635 0.088,636 0.025,637 -0.017,638 0.048,639 -0.013,640 0.07,641 0.017,642 -0.059,643 -0.012,644 -0.029,645 -0.019,646 -0.019,647 -0.021,648 -0.064,649 0.006,650 -0.041,651 0.003,652 -0.062,653 -0.015,654 -0.016,655 0.002,656 -0.003,657 0.002,658 -0.021,659 0.001,660 -0.022,661 0.002,662 -0.006,663 0.002,664 -0.027,665 -0.001,666 2.022,667 5.104,668 0.333,669 34,670 0.979,671 1.131,672 5.928,673 35.144,674 0.619,675 3.367,676 3.555,677 3.784,678 3.989,679 4.111,680 4.06,681 4.06,682 4.043,683 3.85,684 3.761,685 9.175,686 0.561,687 371.62,688 3.367,689 4.828,690 5.631,691 6.457,692 7.296,693 8.149,694 9.012,695 9.884,696 10.763,697 11.649,698 1.6,705 1,715 4,720 2,722 6,727 1,741 64,743 8,744 1,745 28,747 65,748 24,749 6,750 2,751 4,752 2,756 2,757 3,763 1,770 14,772 8,773 16,777 2,782 2,786 2,793 37,794 3,796 3,802 1,808 0.5,809 2,828 1,829 1,832 1,844 1,859 1,864 1,868 27,876 15,881 1,893 3.1,896 2,901 14.167,902 11.367,903 6.472,904 4.971,907 1.318,908 1.194,909 0.924,910 10.378,911 8.108,912 3.526,913 3.882,914 4.353,915 4.786,916 5.204,917 5.268,918 5.472,919 5.582,920 5.354,921 5.193,922 1,923 35,924 10.137,926 4.114,927 0.026,929 7.543,931 20.344,933 16.564,936 2.043,937 55.167,941 435.531,942 100.1,943 3.124,945 50.29,948 100.1,949 485.821,950 3.124,951 8.825,952 40.713,953 37.905,954 60.128,955 5.942,957 435.531,959 435.531,960 103.224,961 50.29,964 411.989,965 73.832,968 49.539,969 53.685,972 435.531,973 53.414,974 100.1,977 435.531,978 53.37,979 49.855,981 50.29,982 435.531,983 53.414,984 100.1,986 0.536,987 0.306,988 0.165,989 0.086,990 11,991 5,992 0.231,993 15,994 1,995 1.222,996 4.207,997 190.695,998 0.222,999 9,1000 126.382,1005 21.828,1006 12.836,1007 7.221,1009 53.414,1010 7.339,1015 1.357,1018 589.045,1019 33,1024 24.067,1028 -0.707,1031 62.661,1032 72.391,1034 0.206,1035 0.381,1036 0.494,1037 0.594,1038 0.674,1039 0.744,1040 4.705,1041 1.354,1042 5.533,1043 2.967,1044 4.234,1045 4.564,1046 1.356,1047 6.271,1048 4.226,1049 5.791,1050 1.175,1051 7.036,1052 2.891,1053 3.434,1054 4.06,1055 0.325,1056 7.13,1057 3.416,1058 7.026,1059 0.953,1060 8.67,1061 2.463,1062 5.707,1063 6.505,1064 1.511,1065 10.349,1066 5.678,1067 8.313,1068 0.763,1069 10.393,1070 2.041,1071 5.969,1072 7.052,1073 0.653,1074 12.241,1075 5.925,1076 9.659,1077 0.485,1078 12.177,1079 1.513,1080 7.574,1081 8.892,1082 1.739,1083 14.949,1084 7.518,1085 11.047,1086 0.207,1087 14.003,1088 0.941,1089 8.379,1090 9.917,1091 1.001,1092 17.207,1093 8.308,1094 12.47,1095 -0.061,1096 15.858,1097 0.402,1098 9.718,1099 11.524,1100 1.993,1101 19.753,1102 9.635,1103 3.302,1104 -0.353,1105 17.732,1106 -0.117,1107 10.765,1108 12.757,1109 1.37,1110 22.142,1111 10.668,1112 2.192,1113 11.717,1114 19.622,1115 -0.677,1116 12.007,1117 14.266,1118 2.264,1119 24.634,1120 11.898,1121 2.104,1122 7.034,1123 21.522,1124 4.128,1125 13.148,1126 15.594,1127 1.754,1128 27.069,1129 13.027,1130 1.958,1131 6.6,1132 23.43,1133 2.966,1134 14.358,1135 17.058,1136 2.551,1137 29.541,1138 14.225,1139 1.842,1140 3.922,1141 25.345,1142 2.493,1143 15.533,1144 18.43,1145 2.143,1146 31.993,1147 15.389,1148 1.664,1149 3.695,1150 27.265,1151 1.97,1152 16.732,1153 19.872,1154 2.851,1155 34.458,1156 16.577,1157 1.435,1158 3.34,1159 29.189,1160 1.963,1161 17.92,1162 21.266,1163 2.535,1164 36.915,1165 17.753,1166 11016,1167 15087,1168 18.663,1169 39.62,1170 39.322,1171 40.926,1172 40.329,1173 38.906,1174 38.868,1175 45.211,1176 2.986,1177 99.052,1178 38.787,1179 5.569,1180 5.977,1181 6.958,1182 5.305,1183 5.302,1184 7.128,1185 2.293,1186 18.898,1187 5.265,1188 12.402,1189 1.404,1190 1.462,1191 1.44,1192 1.389,1193 1.388,1194 1.615,1195 0.107,1196 3.538,1197 1.385,1198 4.024,1199 4.049,1200 3.986,1201 3.925,1202 7.498,1203 3.934,1204 3.836,1205 3.899,1206 3.672,1207 3.723,1208 7.352,1209 3.702,1210 3.741,1211 3.807,1212 3.572,1213 3.622,1214 4.714,1215 3.601,1216 3.637,1217 3.707,1218 3.467,1219 3.508,1220 4.262,1221 3.487,1222 3.512,1223 3.582,1224 3.386,1225 3.363,1226 4.178,1227 3.351,1228 3.419,1229 3.465,1230 3.269,1231 3.248,1232 4.088,1233 3.256,1234 3.293,1235 3.359,1236 3.094,1237 3.126,1238 3.964,1239 3.109,1240 3.119,1241 3.204,1242 2.908,1243 2.936,1244 3.815,1245 2.914,1246 0.164,1247 0.142,1248 0.249,1249 0.153,1250 0.118,1251 4.583,1252 0.147,1253 3.977,1254 0.043,1255 6.967,1256 0.418,1257 4.29,1258 0.117,1259 3.302,1260 4.128,1261 1.2,1262 11.717,1263 3.265,1264 1.885,1265 1.86,1266 2.086,1267 1.997,1268 1.453,1269 2.029,1270 1.838,1271 1.779,1272 2.035,1273 1.971,1274 1.386,1275 1.99,1276 1.774,1277 1.712,1278 1.986,1279 1.926,1280 1.282,1281 1.955,1282 1.673,1283 1.608,1284 1.937,1285 1.847,1286 1.151,1287 1.879,1288 1.544,1289 1.48,1290 1.825,1291 1.744,1292 1.075,1293 1.769,1294 1.408,1295 1.36,1296 1.689,1297 1.631,1298 0.971,1299 1.642,1300 1.287,1301 1.232,1302 1.543,1303 1.509,1304 0.803,1305 1.519,1306 1.144,1307 1.066,1308 1.406,1309 1.372,1310 0.631,1311 1.402,1312 4.043,1314 5.263,1315 2.398,1316 6.678,1317 4.949,1318 8.207,1319 7.195,1320 9.811,1322 2.27,1328 19.176,1333 1.665,1340 35.933,1341 79.211,1342 146.232,1343 189.62,1344 227.987,1345 258.807,1346 285.735,1347 73.705,1348 6.79,1349 39.07,1350 39.07,1351 11,1352 12.184,1353 3.17,1354 2.585,1355 59.535,1356 150,1357 169,1358 0.186,1359 226.35,1360 403.52,1361 544.053,1362 8876,1364 19.322,1365 0.716,1366 0.636,1367 19.322,1368 17.18,1369 13.253,1370 0.473,1371 0.4,1372 11.153,1373 13.035,1374 10.905,1375 9.213,1376 13.253,1377 11.206,1378 10.379,1379 0.305,1380 0.232,1381 10.379,1382 7.899,1383 8.496,1384 0.198,1385 0.131,1386 8.496,1387 5.614,1388 6.594,1389 0.124,1390 0.074,1391 6.594,1392 3.935,1393 5.009,1394 0.083,1395 0.044,1396 5.009,1397 2.665,1398 0.318,1399 81.211,1400 0.231,1401 27.596,1402 0.448,1403 124,1404 285.116,1405 131.066,1406 276.459,1407 372.58,1408 258,1409 139,1410 265.794,1411 147.147,1412 269.097,1413 395.51,1414 255,1415 4}
{0 CHEMBL221669,1 1.825,2 4.769,3 1.821,4 3.316,5 48.54,6 10.295,7 0.429,8 3.093,9 3.168,10 2.916,11 2.743,12 4.381,13 2.744,14 3.574,15 3.679,16 3.358,17 3.129,18 4.92,19 3.123,20 3.747,21 3.837,22 3.483,23 3.179,24 5.386,25 3.165,26 3.714,27 3.858,28 3.121,29 2.994,30 5.074,31 2.92,32 3.48,33 3.687,34 2.721,35 2.517,36 4.862,37 2.422,38 2.813,39 2.988,40 2.27,41 1.365,42 4.715,43 1.424,56 0.084,57 0.248,58 1.498,59 1.456,60 10.818,61 1.424,62 0.179,63 0.391,64 4.112,65 2.645,66 24.303,67 2.896,68 0.328,69 0.428,70 5.986,71 3.218,72 57.04,73 3.15,74 0.337,75 0.404,76 11.098,77 3.314,78 40.477,79 3.077,80 0.273,81 0.298,82 9.039,83 3.08,84 42.891,85 3.444,86 0.364,87 0.112,88 6.951,89 1.518,90 65.338,91 0.927,104 17,105 21,106 0.393,107 0.793,108 0.838,109 0.861,110 0.861,111 0.861,112 2.673,113 0.886,114 -3.09,115 -3.09,116 -2.97,121 47.4,122 1,144 2,145 2,146 2,159 1,160 1,176 3,180 1,183 1,185 2,187 5,191 1,192 2,195 1,197 2,200 5,206 4,211 2,214 2,219 3,232 2,281 111,282 8.345,283 8.345,284 8.345,285 8.345,286 8.345,287 7.304,288 8.856,289 4.601,290 8.457,291 6.82,292 6.82,293 6.82,294 6.82,295 6.82,296 5.162,297 10.87,298 2.13,299 7.034,300 2.423,301 0.566,302 0.356,303 0.25,304 0.25,305 0.25,306 3.295,308 1,312 1,313 127,314 1.732,317 22.065,318 27.181,321 41.667,325 0.746,326 19.82,329 1,330 0.67,331 0.83,332 0.4,334 1,335 1,336 0.7,337 28.833,338 62,339 4.586,340 3.895,341 6.827,342 4.239,343 3.246,344 4.254,345 1.058,346 11.187,347 3.224,348 3.976,349 3.231,350 6.039,351 3.586,352 2.611,353 3.385,355 8.261,356 2.521,357 3.264,358 2.882,359 5.186,360 2.828,361 1.831,362 2.48,364 5.632,365 1.813,366 3.129,367 2.426,368 4.809,369 2.713,370 1.769,371 2.328,373 5.028,374 1.596,375 2.537,376 1.734,377 3.835,378 2.054,379 1.024,380 1.385,382 2.594,383 1.043,384 1.53,385 1.109,386 2.833,387 1.191,388 0.273,389 0.32,391 0.611,392 0.214,393 1.307,394 0.549,395 2.548,396 0.8,397 -0.192,398 -0.283,400 -0.443,401 -0.176,402 0.611,403 0.102,404 2.344,405 0.179,406 -0.829,407 -1.067,409 -2.147,410 -0.77,411 0.234,412 -0.512,413 1.751,414 -0.21,415 -1.183,416 -1.509,418 -2.96,419 -0.978,420 -0.101,421 -1.086,422 1.503,423 -0.381,424 -1.393,425 -1.783,427 -4.041,428 -1.358,429 -0.173,430 -1.154,431 1.262,432 -0.623,433 -1.447,434 -2,436 -4.063,437 -1.517,438 -0.5,439 -1.517,440 1.249,441 -0.8,442 -1.791,443 -2.191,445 -5.89,446 -1.746,447 -0.579,448 -1.819,449 1.088,450 -0.975,451 -1.918,452 -2.319,454 -6.319,455 -1.868,456 -0.82,457 -2,458 0.727,459 -1,460 -2,461 -3,462 -1.058,463 -7.45,464 -2,474 6.281,475 0.483,476 0.477,477 0.037,478 17.75,479 1.365,480 9.5,481 0.731,482 8.25,483 0.635,484 7.662,485 0.589,486 13.519,487 0.712,488 10.499,489 0.808,490 3.565,491 0.274,492 2.544,493 0.196,494 0.299,496 0.478,501 0.596,502 1.026,503 0.489,504 0.725,505 0.536,506 0.698,507 0.539,508 1.023,509 0.489,510 0.741,511 0.561,512 0.693,513 0.819,514 1.195,515 0.912,516 1.038,517 0.783,518 1.019,519 1.198,520 1.045,521 1.674,522 1.39,523 0.99,524 1.42,525 1.157,526 1.08,527 1.06,528 1.163,529 1.174,530 1.185,531 2.398,532 0.021,533 1.285,534 0.485,535 3.087,536 0.565,549 3,551 2.444,552 1.639,553 0.884,554 0.334,559 875,560 3932,561 1.948,562 31.6,563 3,564 2,567 1,572 1.492,573 1.733,574 2.356,575 -0.127,582 34.672,583 1.825,584 3.682,585 3.892,586 3.998,587 3.998,588 3.998,589 1.826,590 3.547,591 3.677,592 2.343,593 182.724,594 6.125,595 1335.32,597 1,600 80.711,601 1.526,602 3.574,603 0.214,605 0.116,606 0.078,607 0.068,608 0.048,613 0.524,614 1,615 1,616 0.808,617 45.457,618 -0.063,619 0.035,620 -0.009,621 0.055,622 -0.056,623 0.055,624 0.094,625 -0.013,626 0.141,627 0.108,628 0.037,629 0.165,630 0.097,631 -0.241,632 -0.062,633 -0.146,634 0.144,635 -0.179,636 -0.271,637 -0.077,638 -0.491,639 -0.427,640 -0.189,641 -0.476,642 -0.11,643 -0.249,644 0.088,645 -0.092,646 -0.087,647 0.004,648 -0.13,649 0.744,650 0.304,651 0.767,652 -0.423,653 0.632,666 2.25,667 4.205,668 0.692,669 5.124,670 1.038,671 1.111,672 1.862,673 3.469,674 0.74,675 2.708,676 3.091,677 3.401,678 3.611,679 3.761,680 3.714,681 3.526,682 3.296,683 2.565,684 1.386,685 3.084,686 0.729,687 195.61,688 2.708,689 4.263,690 5.142,691 6.043,692 6.942,693 7.847,694 8.75,695 9.655,696 10.559,697 11.464,698 5.3,705 1,715 2,720 4,722 6,727 1,740 1,741 19,743 8,744 1,745 14,747 20,748 9,749 6,750 4,751 2,752 2,756 2,757 3,758 1,763 1,772 8,773 1,777 2,782 2,786 2,793 6,794 3,795 1,796 4,797 1,802 1,808 0.5,809 2,828 1,829 1,832 1,843 1,859 1,864 1,865 1,868 13,877 1,892 1,893 10.5,896 2,901 7.5,902 3.893,903 2.806,904 1.084,907 1.533,908 1.274,909 0.985,910 1.719,911 7.131,912 2.996,913 3.624,914 4.216,915 4.695,916 5.189,917 5.361,918 5.402,919 5.376,920 4.868,921 3.944,922 1,923 21,924 4.787,925 -0.003,926 2.12,927 0.026,929 8.316,931 8.65,932 -0.001,933 7.091,934 0.001,936 2.816,937 36.611,938 0.003,941 58.856,942 50.244,943 18.011,944 39.149,945 50.29,948 50.244,949 148.294,950 18.011,951 8.825,952 18.011,953 18.952,954 60.128,955 12.629,957 58.856,958 39.149,959 58.856,960 68.255,961 50.29,962 39.149,964 58.856,965 50.29,968 26.836,969 41.419,970 39.149,972 58.856,973 68.301,974 89.393,977 58.856,978 22.467,979 27.778,980 18.011,981 89.438,982 58.856,983 68.301,984 89.393,986 0.61,987 0.381,988 0.186,989 0.098,990 12,991 6,994 1,995 1.222,996 2.378,997 83.178,998 0.222,999 9,1000 48.106,1005 8.418,1006 2.655,1007 1.087,1009 68.301,1010 3.179,1015 2.238,1017 18.011,1018 216.549,1019 19,1024 22.196,1028 -1.074,1031 19.731,1032 21.107,1034 0.43,1035 0.867,1036 0.916,1037 0.941,1038 0.941,1039 0.941,1040 4.256,1041 -0.829,1042 5.187,1043 -0.443,1044 3.761,1045 4.304,1046 1.176,1047 6.075,1048 3.713,1049 5.51,1050 -1.183,1051 6.817,1052 -2.147,1053 3.611,1054 4.369,1056 7.13,1057 3.54,1058 6.86,1059 -1.393,1060 8.544,1061 -2.96,1062 5.442,1063 6.546,1064 1.255,1065 10.258,1066 5.372,1067 8.246,1068 -1.447,1069 10.322,1070 -4.041,1071 6.066,1072 7.369,1074 12.101,1075 5.986,1076 9.661,1077 -1.791,1078 12.132,1079 -4.063,1080 7.452,1081 9.098,1082 1.338,1083 14.776,1084 7.371,1085 11.097,1086 -1.918,1087 13.963,1088 -5.89,1089 8.398,1090 10.249,1092 16.944,1093 8.313,1094 12.55,1095 -2,1096 15.81,1097 -6.319,1098 9.635,1099 11.814,1100 1.422,1101 19.457,1102 9.547,1103 3.246,1105 17.669,1106 -7.45,1107 10.713,1108 13.115,1110 21.765,1111 10.622,1112 2.611,1113 11.187,1114 19.538,1116 11.901,1117 14.613,1118 1.51,1119 24.216,1120 11.807,1121 1.831,1122 8.261,1123 21.415,1124 4.254,1125 13.033,1126 15.986,1128 26.584,1129 12.936,1130 1.769,1131 5.632,1132 23.299,1133 3.385,1134 14.206,1135 17.454,1136 1.599,1137 29.012,1138 14.105,1139 1.024,1140 5.028,1141 25.188,1142 2.48,1143 15.361,1144 18.862,1146 31.405,1147 15.256,1148 0.273,1149 2.594,1150 27.081,1151 2.328,1152 16.532,1153 20.318,1154 1.69,1155 33.824,1156 16.423,1157 -0.192,1158 0.611,1159 28.978,1160 1.385,1161 17.697,1162 21.745,1164 36.229,1165 17.584,1166 964,1167 2087,1168 8.671,1169 14.057,1170 21.758,1171 23.835,1172 23.391,1173 21.563,1174 21.506,1175 28.304,1176 2.117,1177 66.624,1178 20.823,1179 5.407,1180 5.895,1181 6.1,1182 5.239,1183 5.246,1184 7.254,1185 2.117,1186 18.636,1187 5.224,1188 7.42,1189 1.554,1190 1.702,1191 1.671,1192 1.54,1193 1.536,1194 2.022,1195 0.151,1196 4.759,1197 1.487,1198 4.018,1199 4.034,1200 4.072,1201 3.941,1202 7.499,1203 3.946,1204 3.48,1205 3.489,1206 3.645,1207 3.304,1208 7.352,1209 3.331,1210 3.165,1211 3.243,1212 3.064,1213 3.013,1214 4.914,1215 2.997,1216 2.723,1217 2.769,1218 2.994,1219 2.514,1220 4.33,1221 2.516,1222 2.596,1223 2.597,1224 2.569,1225 2.345,1226 3.902,1227 2.368,1228 2.383,1229 2.406,1230 2.386,1231 2.07,1232 3.725,1233 2.114,1234 1.824,1235 1.912,1236 1.837,1237 1.339,1238 2.919,1239 1.364,1240 1.513,1241 1.626,1242 1.556,1243 1.239,1244 2.683,1245 1.182,1246 0.328,1247 0.278,1248 0.488,1249 0.303,1250 0.232,1251 4.586,1252 0.304,1253 3.895,1254 0.076,1255 6.827,1256 0.799,1257 4.239,1258 0.23,1259 3.246,1260 4.254,1261 1.058,1262 11.187,1263 3.224,1264 1.899,1265 1.883,1266 1.971,1267 1.966,1268 1.145,1269 1.975,1270 1.395,1271 1.388,1272 1.566,1273 1.659,1274 0.622,1275 1.598,1276 1.133,1277 1.06,1278 1.357,1279 1.386,1280 0.238,1281 1.419,1282 0.93,1283 0.896,1284 1.057,1285 1.134,1286 0.149,1287 1.118,1288 0.452,1289 0.391,1290 0.674,1291 0.647,1293 0.684,1296 0.336,1297 0.385,1299 0.301,1302 0.032,1303 0.239,1305 0.223,1312 3.367,1314 4.727,1315 2.398,1316 6.29,1317 4.844,1318 7.941,1319 7.018,1320 9.638,1322 1.764,1323 5.825,1329 2.483,1340 13.859,1341 34.672,1342 69.956,1343 73.956,1344 75.956,1345 75.956,1346 75.956,1347 22.481,1348 5.598,1349 49.93,1350 49.93,1351 11,1352 11.983,1353 3.17,1354 2.585,1355 18.985,1356 25,1357 19,1358 0.441,1359 90.797,1360 159.23,1361 213.306,1362 1314,1363 5.3,1364 9.585,1365 0.737,1366 0.585,1367 10.085,1368 7.605,1369 6.109,1370 0.436,1371 0.295,1372 3.743,1373 5.628,1374 3.592,1375 2.963,1376 6.398,1377 4.136,1378 5.814,1379 0.277,1380 0.156,1381 6.184,1382 3.285,1383 5.295,1384 0.183,1385 0.086,1386 5.702,1387 2.498,1388 3.852,1389 0.107,1390 0.041,1391 4.059,1392 1.487,1393 2.986,1394 0.071,1395 0.022,1396 3.193,1397 0.939,1398 0.616,1399 41.393,1400 0.34,1401 12.52,1402 1.451,1403 70,1404 256.007,1405 91.891,1406 274.679,1407 353.6,1408 252,1409 85,1410 227.389,1411 103.526,1412 239.856,1413 354.52,1414 225,1415 4}
{0 CHEMBL221753,1 1.214,2 15.133,3 4.821,4 23.241,5 125.887,6 5.732,7 0.387,8 4.297,9 4.439,10 3.625,11 3.791,12 5.195,13 3.712,14 4.895,15 5.119,16 3.966,17 4.201,18 5.674,19 4.102,20 5.187,21 5.398,22 3.98,23 4.453,24 5.982,25 4.28,26 5.475,27 5.802,28 3.96,29 4.493,30 6.07,31 4.272,32 5.32,33 5.589,34 3.856,35 4.423,36 6.056,37 4.218,38 5.351,39 5.678,40 3.727,41 4.305,42 5.984,43 4.069,44 5.062,45 5.353,46 3.528,47 4.035,48 5.761,49 3.833,50 4.847,51 5.138,52 3.429,53 3.834,54 5.531,55 3.658,56 0.094,57 0.941,58 18.145,59 7.419,60 13.162,61 10.573,62 0.278,63 1.517,64 31.625,65 11.744,66 24.396,67 17.065,68 0.453,69 1.996,70 41.804,71 16.863,72 39.695,73 24.008,74 0.336,75 2.303,76 50.441,77 19.933,78 42.204,79 29.132,80 0.368,81 2.078,82 45.561,83 17.596,84 46.61,85 25.416,86 0.395,87 1.956,88 44.746,89 17.107,90 45.021,91 24.907,92 0.346,93 1.455,94 34.767,95 12.627,96 37.771,97 18.102,98 0.289,99 1.179,100 28.183,101 9.987,102 28.761,103 14.398,104 53,105 44,106 0.193,107 0.441,108 0.653,109 0.752,110 0.767,111 0.767,112 3.439,113 1.095,114 -2.42,115 -2.45,116 -2.4,121 37.5,122 5,123 1,125 2,126 2,127 5,144 9,145 2,146 1,176 18,180 2,187 25,189 1,191 1,192 2,194 1,200 19,203 2,206 1,214 17,216 2,219 4,227 8,229 1,232 7,234 1,239 6,244 4,256 6,266 2,269 5,279 2,281 1564,282 18.886,283 18.886,284 18.886,285 18.886,286 18.886,287 17.449,288 21.661,289 11.263,290 19.317,291 15.354,292 15.354,293 15.354,294 15.354,295 15.354,296 13.288,297 26.071,298 5.422,299 16.039,300 4.956,301 3.387,302 2.051,303 1.431,304 1.338,305 1.338,306 4.098,312 1,313 926,314 5.244,318 254.006,325 2.342,326 15.832,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 62.5,338 454,339 4.538,340 3.636,341 7.352,342 4.459,343 3.459,344 3.864,345 1.26,346 12.747,347 3.459,348 4.249,349 3.611,350 6.741,351 4.128,352 3.215,353 3.514,354 0.86,355 11.044,356 2.952,357 4.033,358 3.006,359 6.345,360 3.953,361 2.953,362 3.268,363 0.86,364 9.696,365 2.939,366 3.787,367 2.855,368 5.363,369 3.437,370 2.493,371 3.078,372 0.245,373 7.02,374 2.372,375 3.779,376 2.579,377 5.273,378 3.391,379 2.4,380 2.967,382 6.736,383 2.352,384 2.973,385 2.333,386 4.758,387 2.702,388 1.786,389 2.073,391 4.878,392 1.641,393 2.876,394 1.812,395 3.867,396 2.538,397 1.601,398 2.028,400 3.526,401 1.48,402 2.722,403 1.535,404 3.658,405 2.429,406 1.435,407 1.731,409 3.063,410 1.419,411 2.5,412 1.418,413 3.448,414 2.006,415 1.083,416 1.5,418 2.332,419 1,420 2.5,421 1,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.141,430 1,431 3.316,432 2,433 1,434 1.129,436 2.136,437 0.989,438 1.448,439 0.814,440 3.247,441 1.256,442 0.368,443 0.387,445 0.837,446 0.324,447 1.111,448 0.215,449 3.047,450 0.863,451 -0.103,452 -0.118,454 -0.271,455 -0.098,456 0.921,457 0.05,458 2.779,459 0.711,460 -0.256,461 -0.276,463 -0.645,464 -0.243,465 0.655,466 -0.231,467 2.608,468 0.598,469 -0.37,470 -0.385,472 -1.211,473 -0.361,474 14.567,475 0.486,476 1.117,477 0.037,478 30,479 1,480 12.5,481 0.417,482 17.5,483 0.583,484 35.098,485 1.17,486 35.533,487 0.494,488 21.248,489 0.708,490 5.557,491 0.185,492 8.412,493 0.28,494 0.24,495 0.096,496 0.103,501 0.948,502 1.511,503 1.101,504 1.366,505 1.187,506 1.26,507 1.622,508 0.88,509 1.024,510 0.851,511 0.983,512 0.873,513 1.119,514 1.41,515 1.418,516 1.433,517 1.324,518 1.45,519 0.579,520 0.844,521 0.74,522 0.83,523 0.576,524 0.802,525 1.288,526 1.18,527 1.222,528 1.191,529 1.39,530 1.201,531 0.837,532 0.864,533 0.837,534 0.888,535 0.85,536 0.866,537 1.773,538 0.986,539 1.073,540 0.991,541 1.54,542 0.985,543 1.853,544 0.914,545 0.977,546 0.882,547 1.392,548 0.87,549 9.5,550 0.149,551 3.111,552 2.438,553 1.333,554 0.938,555 0.467,556 0.326,557 0.263,558 0.191,559 13487,560 22749,561 1.899,562 58.3,563 17,564 25,572 1.718,573 1.739,574 3.807,575 -0.891,582 87.375,583 1.214,584 2.783,585 4.119,586 4.739,587 4.832,588 4.832,589 3.244,590 4.215,591 4.882,592 4.075,593 1772.49,594 8.453,595 27911.5,600 444.235,601 1.619,602 4.789,603 0.306,604 0.007,605 0.071,606 0.063,607 0.033,608 0.028,609 0.016,610 0.014,611 0.012,612 0.008,613 0.559,614 0.67,615 0.88,616 1.144,617 161.309,618 0.075,619 -0.2,620 0.055,621 -0.109,622 -0.134,623 -0.041,624 -0.119,625 0.278,626 0.097,627 0.216,628 0.136,629 0.184,630 0.042,631 -0.274,632 -0.34,633 -0.31,634 -0.209,635 -0.351,636 0.092,637 0.079,638 0.184,639 0.111,640 0.198,641 0.149,642 -0.112,643 -0.163,644 -0.202,645 -0.18,646 -0.229,647 -0.196,648 0.111,649 0.037,650 0.104,651 0.032,652 0.118,653 0.063,654 -0.083,655 -0.069,656 -0.047,657 -0.053,658 -0.128,659 -0.049,660 -0.059,661 0.006,662 0.061,663 0.046,664 -0.005,665 0.059,666 1.093,667 2.372,668 0.4,669 36.133,670 0.977,671 1.131,672 1.189,673 1.414,674 0.618,675 3.466,676 3.807,677 3.829,678 4.025,679 4.06,680 4.007,681 3.989,682 3.97,683 3.871,684 3.714,685 9.034,686 0.559,687 412.7,688 3.466,689 5.017,690 5.796,691 6.678,692 7.474,693 8.359,694 9.163,695 10.05,696 10.859,697 11.747,698 1.4,712 1,715 9,720 3,722 12,739 1,741 72,743 12,744 2,745 31,747 73,748 27,749 12,750 3,751 9,756 2,757 2,763 5,764 2,770 1,772 12,773 15,793 42,794 2,796 3,802 1,803 1,807 1,808 1,809 2,829 2,858 1,859 2,864 7,868 30,876 6,878 2,882 2,883 1,893 2.8,897 1,898 1,901 17.25,902 14.833,903 6.417,904 4.396,907 1.841,908 1.269,909 0.879,910 8.665,911 8.675,912 3.638,913 4.143,914 4.466,915 4.916,916 5.335,917 5.26,918 5.371,919 5.366,920 5.229,921 4.964,922 0.9,923 39,924 11.131,926 4.397,927 0.026,929 7.4,931 22.211,933 17.779,936 1.9,937 57,941 494.386,942 178.343,945 22,948 178.343,949 516.386,951 60.919,952 20.523,953 85.286,954 11,955 22.614,957 494.386,959 494.386,960 178.343,961 22,964 494.386,965 11,966 11,968 64.649,969 113.694,972 494.386,973 22,974 178.343,977 494.386,978 32.138,979 146.205,981 22,982 494.386,983 22,984 178.343,986 0.589,987 0.287,988 0.148,989 0.073,990 18,991 9,992 0.164,993 12,995 1,996 4.192,997 231.408,999 12,1000 128.452,1005 24.593,1006 10.57,1007 9.35,1009 22,1010 19.195,1015 3.633,1018 694.729,1019 37,1031 70.37,1032 81.429,1034 0.197,1035 0.451,1036 0.668,1037 0.768,1038 0.783,1039 0.783,1040 4.905,1041 1.435,1042 5.878,1043 3.526,1044 4.489,1045 4.828,1046 1.86,1047 6.73,1048 4.417,1049 6.13,1050 1.083,1051 7.478,1052 3.063,1053 4.511,1054 4.732,1055 0.931,1056 8.194,1057 4.422,1058 7.459,1059 1,1060 9.207,1061 2.332,1062 6.256,1063 6.885,1064 1.793,1065 11.077,1066 6.134,1067 8.818,1068 1,1069 11.014,1070 2.275,1071 7.004,1072 7.439,1073 1.381,1074 13.243,1075 6.87,1076 10.205,1077 0.368,1078 12.868,1079 2.136,1080 8.368,1081 9.212,1082 1.909,1083 15.835,1084 8.212,1085 11.612,1086 -0.103,1087 14.752,1088 0.837,1089 9.39,1090 10.058,1091 1.783,1092 18.22,1093 9.224,1094 13.033,1095 -0.256,1096 16.657,1097 -0.271,1098 10.638,1099 11.658,1100 2.152,1101 20.747,1102 10.458,1103 3.459,1104 -0.37,1105 18.576,1106 -0.645,1107 11.768,1108 12.669,1109 2.192,1110 23.211,1111 11.582,1112 3.215,1113 12.747,1114 20.507,1115 -1.211,1116 12.982,1117 14.171,1118 2.484,1119 25.727,1120 12.788,1121 2.953,1122 11.044,1123 22.446,1124 3.864,1125 14.158,1126 15.288,1127 2.615,1128 28.224,1129 13.961,1130 2.493,1131 9.696,1132 24.392,1133 3.514,1134 15.365,1135 16.729,1136 2.871,1137 30.742,1138 15.166,1139 2.4,1140 7.02,1141 26.343,1142 3.268,1143 16.562,1144 17.919,1145 3.05,1146 33.256,1147 16.363,1148 1.786,1149 6.736,1150 28.3,1151 3.078,1152 17.771,1153 19.321,1154 3.291,1155 35.78,1156 17.573,1157 1.601,1158 4.878,1159 30.26,1160 2.967,1161 18.979,1162 20.561,1163 3.495,1164 38.304,1165 18.784,1166 13522,1167 17704,1168 19.238,1169 44.523,1170 46.447,1171 46.261,1172 45.85,1173 45.526,1174 45.586,1175 54.08,1176 6.45,1177 132.576,1178 43.852,1179 5.491,1180 5.636,1181 7.162,1182 5.554,1183 5.459,1184 6.864,1185 2.12,1186 20.384,1187 5.459,1188 19.673,1189 1.498,1190 1.492,1191 1.479,1192 1.469,1193 1.471,1194 1.745,1195 0.208,1196 4.277,1197 1.415,1198 4.007,1199 4.048,1200 3.927,1201 3.93,1202 4.865,1203 3.925,1204 3.95,1205 3.992,1206 3.87,1207 3.864,1208 4.756,1209 3.86,1210 3.76,1211 3.812,1212 3.638,1213 3.653,1214 4.584,1215 3.64,1216 3.743,1217 3.798,1218 3.622,1219 3.552,1220 4.406,1221 3.563,1222 3.54,1223 3.593,1224 3.392,1225 3.353,1226 4.285,1227 3.347,1228 3.432,1229 3.499,1230 3.259,1231 3.249,1232 4.209,1233 3.247,1234 3.169,1235 3.249,1236 2.966,1237 2.973,1238 3.994,1239 2.957,1240 2.98,1241 3.063,1242 2.787,1243 2.829,1244 3.674,1245 2.807,1246 0.146,1247 0.117,1248 0.237,1249 0.144,1250 0.112,1251 4.538,1252 0.125,1253 3.636,1254 0.041,1255 7.352,1256 0.411,1257 4.459,1258 0.112,1259 3.459,1260 3.864,1261 1.26,1262 12.747,1263 3.459,1264 1.969,1265 1.941,1266 2.116,1267 2.087,1268 1.41,1269 2.09,1270 1.936,1271 1.899,1272 2.083,1273 2.06,1274 1.342,1275 2.079,1276 1.765,1277 1.719,1278 1.963,1279 1.913,1280 1.125,1281 1.929,1282 1.71,1283 1.64,1284 1.926,1285 1.894,1286 1.069,1287 1.913,1288 1.511,1289 1.453,1290 1.783,1291 1.743,1292 0.98,1293 1.754,1294 1.426,1295 1.363,1296 1.71,1297 1.641,1298 0.868,1299 1.671,1300 1.175,1301 1.095,1302 1.529,1303 1.424,1304 0.756,1305 1.462,1306 1.015,1307 0.936,1308 1.417,1309 1.239,1310 0.511,1311 1.308,1312 4.143,1314 5.476,1316 6.971,1318 8.538,1320 10.145,1322 16.028,1328 5.07,1330 11.693,1334 0.467,1335 0.913,1340 40.25,1341 87.375,1342 200.346,1343 296.573,1344 341.176,1345 347.931,1346 347.931,1347 71.499,1348 6.834,1349 18.46,1350 18.46,1351 12,1352 12.294,1353 3.7,1354 2.807,1355 70.161,1356 168,1357 136,1358 0.2,1359 253.663,1360 443.2,1361 610.698,1362 9085,1364 22.253,1365 0.742,1366 0.675,1367 22.253,1368 20.255,1369 13.969,1370 0.451,1371 0.365,1372 11.19,1373 13.551,1374 10.523,1375 8.997,1376 13.969,1377 11.32,1378 14.269,1379 0.324,1380 0.254,1381 14.269,1382 11.183,1383 8.72,1384 0.194,1385 0.123,1386 8.72,1387 5.553,1388 7.409,1389 0.135,1390 0.079,1391 7.409,1392 4.336,1393 4.847,1394 0.085,1395 0.038,1396 4.847,1397 2.157,1398 0.335,1399 86.575,1400 0.228,1401 29.608,1402 0.497,1403 150,1404 305.804,1405 158.531,1406 298.239,1407 404.75,1408 280,1409 164,1410 288.781,1411 173.643,1412 303.726,1413 428.24,1414 278,1415 5.649}
{0 CHEMBL221794,1 1.481,2 6.125,3 2.362,4 5.58,5 62.675,6 7.581,7 0.833,8 3.458,9 3.566,10 3.068,11 3.025,12 4.573,13 3.015,14 3.962,15 4.13,16 3.414,17 3.403,18 4.986,19 3.387,20 4.059,21 4.21,22 3.468,23 3.542,24 5.082,25 3.495,26 4.168,27 4.352,28 3.297,29 3.535,30 5.124,31 3.43,32 4.149,33 4.408,34 2.978,35 3.309,36 5.018,37 3.157,38 3.889,39 4.171,40 2.616,41 2.901,42 4.72,43 2.75,44 3.4,45 3.656,46 1.989,47 2.342,48 4.29,49 2.205,50 2.939,51 3.22,52 1.216,53 2.019,54 3.664,55 1.745,56 0.004,57 0.402,58 5.421,59 2.464,60 5.573,61 3.129,62 0.124,63 0.649,64 10.578,65 3.853,66 12.373,67 4.914,68 0.102,69 0.721,70 10.996,71 4.672,72 9.412,73 5.989,74 0.059,75 0.779,76 12.734,77 5.472,78 11.031,79 7.309,80 0.142,81 0.716,82 14.427,83 5.544,84 17.735,85 7.841,86 0.093,87 0.528,88 11.772,89 4.208,90 14.862,91 5.931,92 0.203,93 0.306,94 7.484,95 2.174,96 14.127,97 2.776,98 0.014,99 0.201,100 4.22,101 1.741,102 5.36,103 2.544,104 6,105 26,106 0.283,107 0.612,108 0.772,109 0.854,110 0.854,111 0.854,112 2.857,113 0.862,114 -2.52,115 -2.55,116 -2.49,121 46.4,126 2,144 4,145 2,146 1,147 2,154 2,176 4,180 6,187 4,191 1,192 6,200 4,206 2,214 2,218 1,219 3,227 1,232 1,243 1,281 214,282 11.077,283 11.077,284 11.077,285 11.077,286 11.077,287 9.35,288 7.476,289 6.405,290 11.418,291 8.81,292 8.81,293 8.81,294 8.81,295 8.81,296 6.17,297 7.151,298 2.938,299 9.251,300 3.326,301 1.608,302 0.768,303 0.34,304 0.34,305 0.34,306 3.532,311 1,312 1,313 213,314 2,317 20.024,318 55.016,321 79.847,325 0.906,326 6.606,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 34,338 98,339 4.813,340 3.363,341 7.012,342 4.304,343 3.334,344 4.923,345 0.86,346 11.955,347 3.237,348 3.919,349 2.787,350 5.755,351 3.453,352 2.499,353 3.549,355 7.672,356 2.383,357 3.608,358 2.218,359 5.61,360 3.121,361 2.164,362 3.081,364 6.99,365 2.061,366 3.38,367 2.081,368 5.181,369 2.91,370 1.957,371 2.743,373 6.129,374 1.857,375 2.907,376 1.43,377 3.864,378 2.361,379 1.414,380 2.106,382 3.14,383 1.337,384 2.5,385 1.12,386 3.66,387 1.978,388 1,389 1.5,391 2.546,392 0.976,393 2.268,394 1,395 3.491,396 1.829,397 0.879,398 1.184,400 2.055,401 0.831,402 1.605,403 0.846,404 2.835,405 1.311,406 0.442,407 0.498,409 0.682,410 0.381,411 0.994,412 -0.186,413 2.555,414 0.564,415 -0.395,416 -0.517,418 -0.91,419 -0.377,420 0.829,421 -0.417,422 2.316,423 0.351,424 -0.59,425 -0.807,427 -1.37,428 -0.549,429 0.59,430 -0.797,431 2.132,432 0.111,433 -0.841,434 -1.205,436 -2.074,437 -0.794,438 0.5,439 -1,440 2,441 -0.014,442 -1,443 -1.5,445 -2.902,446 -0.988,447 -0.136,448 -1.072,449 1.495,450 -0.509,451 -1.414,452 -1.721,454 -3.752,455 -1.256,456 -0.337,457 -1.484,458 1.373,459 -0.748,460 -1.65,461 -2.185,463 -4.515,464 -1.507,465 -0.386,466 -1.868,467 1.183,468 -0.896,469 -1.875,470 -2.798,472 -5.405,473 -1.781,474 7.633,475 0.477,476 0.363,477 0.023,478 23.25,479 1.453,480 12.5,481 0.781,482 10.75,483 0.672,484 9.123,485 0.57,486 16.367,487 0.585,488 13.872,489 0.867,490 4.764,491 0.298,492 3.045,493 0.19,494 0.131,496 0.38,501 0.866,502 1.339,503 0.73,504 1.079,505 0.813,506 0.919,507 1.474,508 0.829,509 0.811,510 0.613,511 1.076,512 0.615,513 1.008,514 0.974,515 0.954,516 0.958,517 0.852,518 0.952,519 0.805,520 1.298,521 1.197,522 1.343,523 0.926,524 1.327,525 0.625,526 0.994,527 1.018,528 1.117,529 0.939,530 1.118,531 0.988,532 1.04,533 0.941,534 1.063,535 0.941,536 1.01,537 2.405,538 0.589,539 1.505,540 0.734,541 1.947,542 0.972,543 0.261,544 1.415,545 1.302,546 1.591,547 0.939,548 1.594,549 2.5,551 2,552 1.924,553 0.666,554 0.553,555 0.158,556 0.043,557 0.02,559 1802,560 4589,561 2.135,562 42.9,564 10,566 2,572 1.558,573 2,574 2.647,575 -0.795,577 1,579 1,582 41.481,583 1.481,584 3.2,585 4.039,586 4.468,587 4.468,588 4.468,589 2.149,590 3.625,591 3.972,592 2.676,593 321.104,594 6.719,595 2654.04,597 1,599 1,600 134.606,601 1.406,602 3.933,603 0.139,605 0.077,606 0.071,607 0.032,608 0.039,609 0.018,610 0.011,611 0.02,613 0.407,614 1,615 1,616 0.875,617 62.081,618 0.007,619 -0.268,620 0.084,621 -0.124,622 -0.015,623 -0.03,624 -0.226,625 0.243,626 0.114,627 0.32,628 -0.082,629 0.276,630 -0.08,631 0.071,632 -0.091,633 0.001,634 -0.05,635 -0.041,636 -0.089,637 -0.318,638 -0.321,639 -0.375,640 -0.17,641 -0.38,642 0.139,643 -0.083,644 -0.029,645 -0.137,646 0.006,647 -0.109,648 0.042,649 -0.173,650 0.121,651 -0.087,652 0.179,653 0.009,654 -0.291,655 0.334,656 -0.362,657 0.182,658 -0.31,659 -0.059,660 0.086,661 -0.58,662 -0.328,663 -0.589,664 -0.176,665 -0.534,666 0.781,667 1.756,668 0.813,669 8.172,670 0.998,671 1.117,672 1.29,673 1.665,674 0.688,675 2.944,676 3.296,677 3.664,678 3.989,679 4.248,680 4.317,681 4.419,682 4.431,683 4.205,684 3.97,685 3.691,686 0.657,687 212.27,688 2.944,689 4.489,690 5.38,691 6.29,692 7.204,693 8.125,694 9.046,695 9.97,696 10.894,697 11.82,698 7.1,706 1,708 1,714 4,715 6,716 1,720 1,721 1,722 15,739 1,741 28,743 15,744 1,745 18,747 30,748 13,749 11,750 3,751 3,756 3,757 6,772 11,773 2,790 1,793 12,794 2,796 3,802 2,808 0.333,809 1,822 1,824 1,828 1,829 2,832 2,859 1,864 2,868 16,878 1,893 3.6,898 1,901 8,902 5.817,903 3.556,904 1.551,907 3.241,908 1.498,909 1.028,910 2.027,911 9.744,912 3.277,913 4.012,914 4.777,915 5.515,916 6.167,917 6.597,918 7.087,919 7.516,920 7.626,921 7.794,922 1,923 27,924 5.861,926 2.451,927 0.026,929 7.552,931 11.349,933 9.29,936 2.052,937 32.833,938 0.004,941 141.253,942 89.957,943 18.685,945 11,948 89.957,949 152.253,950 18.685,951 19.279,953 37.905,954 40.328,955 41.383,956 4.288,957 117.711,959 141.253,960 108.642,961 11,964 141.253,965 11,968 19.994,969 71.862,970 16.786,972 141.253,973 29.685,974 89.957,977 141.253,978 14.678,979 77.178,981 27.785,982 141.253,983 29.685,984 89.957,986 0.582,987 0.368,988 0.212,989 0.121,990 15,991 6,992 0.033,993 1,994 2,995 1.308,996 2.8,997 117.545,998 0.308,999 13,1000 64,1005 9.519,1006 3.407,1007 1.297,1008 4.764,1009 27.785,1010 11.876,1011 4.159,1015 0.886,1016 2.15,1018 260.895,1019 25.5,1031 27.949,1032 31.282,1034 0.308,1035 0.666,1036 0.84,1037 0.929,1038 0.929,1039 0.929,1040 4.497,1041 0.442,1042 5.38,1043 2.055,1044 3.97,1045 4.696,1046 0.908,1047 6.267,1048 3.887,1049 5.755,1050 -0.395,1051 6.984,1052 0.682,1053 3.611,1054 4.691,1056 7.318,1057 3.496,1058 7.106,1059 -0.59,1060 8.693,1061 -0.91,1062 5.624,1063 7.13,1064 0.739,1065 10.489,1066 5.477,1067 8.505,1068 -0.841,1069 10.464,1070 -1.37,1071 6.133,1072 8.013,1074 12.405,1075 5.955,1076 9.94,1077 -1,1078 12.276,1079 -2.074,1080 7.62,1081 9.916,1082 0.593,1083 15.109,1084 7.42,1085 11.405,1086 -1.414,1087 14.115,1088 -2.902,1089 8.528,1090 11.207,1092 17.377,1093 8.297,1094 12.891,1095 -1.65,1096 15.974,1097 -3.752,1098 9.822,1099 12.909,1100 0.469,1101 19.932,1102 9.569,1103 3.334,1104 -1.875,1105 17.85,1106 -4.515,1107 10.905,1108 14.38,1110 22.336,1111 10.623,1112 2.499,1113 11.955,1114 19.739,1115 -5.405,1116 12.133,1117 16.009,1118 0.366,1119 24.842,1120 11.827,1121 2.164,1122 7.672,1123 21.638,1124 4.923,1125 13.287,1126 17.555,1128 27.296,1129 12.952,1130 1.957,1131 6.99,1132 23.546,1133 3.549,1134 14.496,1135 19.159,1136 0.283,1137 29.785,1138 14.134,1139 1.414,1140 6.129,1141 25.461,1142 3.081,1143 15.679,1144 20.733,1146 32.256,1147 15.289,1148 1,1149 3.14,1150 27.382,1151 2.743,1152 16.882,1153 22.33,1154 0.217,1155 34.74,1156 16.464,1157 0.879,1158 2.546,1159 29.308,1160 2.106,1161 18.077,1162 23.916,1164 37.218,1165 17.63,1166 1802,1167 2941,1168 12.137,1169 19.273,1170 27.335,1171 27.805,1172 28.7,1173 27.332,1174 27.38,1175 39.169,1176 1.72,1177 82.338,1178 26.124,1179 5.368,1180 5.363,1181 6.691,1182 5.341,1183 5.334,1184 7.923,1185 1.72,1186 19.182,1187 5.237,1188 6.361,1189 1.519,1190 1.545,1191 1.594,1192 1.518,1193 1.521,1194 2.176,1195 0.096,1196 4.574,1197 1.451,1198 4.218,1199 4.247,1200 4.192,1201 4.133,1202 5.07,1203 4.144,1204 3.673,1205 3.706,1206 3.612,1207 3.559,1208 4.769,1209 3.567,1210 3.377,1211 3.45,1212 3.262,1213 3.153,1214 4.448,1215 3.168,1216 3.172,1217 3.258,1218 2.962,1219 2.911,1220 4.018,1221 2.909,1222 2.943,1223 3.002,1224 2.833,1225 2.813,1226 3.851,1227 2.81,1228 2.788,1229 2.876,1230 2.578,1231 2.633,1232 3.537,1233 2.608,1234 2.706,1235 2.78,1236 2.493,1237 2.555,1238 3.419,1239 2.53,1240 2.232,1241 2.308,1242 2.107,1243 2.073,1244 3.054,1245 2.074,1246 0.267,1247 0.187,1248 0.39,1249 0.239,1250 0.185,1251 4.813,1252 0.274,1253 3.363,1254 0.048,1255 7.012,1256 0.664,1257 4.304,1258 0.18,1259 3.334,1260 4.923,1261 0.86,1262 11.955,1263 3.237,1264 1.966,1265 1.951,1266 2.036,1267 2.037,1268 1.196,1269 2.037,1270 1.848,1271 1.806,1272 1.945,1273 2.013,1274 1.056,1275 1.996,1276 1.331,1277 1.267,1278 1.617,1279 1.602,1280 0.642,1281 1.605,1282 1.146,1283 1.055,1284 1.53,1285 1.433,1286 0.556,1287 1.469,1288 0.934,1289 0.879,1290 1.153,1291 1.098,1292 0.219,1293 1.119,1294 0.824,1295 0.743,1296 1.131,1297 1.031,1298 0.206,1299 1.073,1300 0.679,1301 0.624,1302 0.9,1303 0.839,1304 0.043,1305 0.865,1306 0.435,1307 0.346,1308 0.731,1309 0.703,1311 0.722,1312 3.611,1314 4.949,1315 2.398,1316 6.512,1317 4.949,1318 8.172,1319 7.222,1320 9.884,1322 3.743,1330 5.256,1340 18.392,1341 41.481,1342 89.586,1343 113.096,1344 125.096,1345 125.096,1346 125.096,1347 13.749,1348 6.503,1349 27.05,1350 27.05,1351 17,1352 12.325,1353 4,1354 3.087,1355 21.628,1356 36,1357 38,1358 0.328,1359 113.311,1360 178.63,1361 268.239,1362 4578,1364 11.121,1365 0.695,1366 0.579,1367 11.121,1368 9.267,1369 7.809,1370 0.434,1371 0.287,1372 5.083,1373 7.477,1374 4.889,1375 4.092,1376 7.809,1377 5.172,1378 6.886,1379 0.265,1380 0.147,1381 6.886,1382 3.835,1383 6.417,1384 0.169,1385 0.079,1386 6.417,1387 3.017,1388 5.526,1389 0.104,1390 0.041,1391 5.526,1392 2.161,1393 4.642,1394 0.067,1395 0.021,1396 4.642,1397 1.479,1398 0.473,1399 49.091,1400 0.287,1401 15.548,1402 1.033,1403 88,1404 241.026,1405 94.681,1406 233.886,1407 331.53,1408 222,1409 108,1410 252.827,1411 115.348,1412 260.084,1413 381.1,1414 243,1415 5}
{0 CHEMBL221811,1 1.434,2 6.188,3 2.388,4 5.704,5 64.461,6 6.76,7 0.556,8 3.574,9 3.704,10 3.077,11 3.101,12 4.553,13 3.07,14 4.138,15 4.325,16 3.443,17 3.517,18 5.041,19 3.465,20 4.343,21 4.561,22 3.477,23 3.649,24 5.208,25 3.562,26 4.393,27 4.627,28 3.29,29 3.632,30 5.193,31 3.495,32 4.339,33 4.625,34 3.002,35 3.434,36 5.041,37 3.244,38 4.07,39 4.346,40 2.714,41 3.114,42 4.817,43 2.942,44 3.813,45 4.106,46 2.137,47 2.714,48 4.539,49 2.489,50 3.399,51 3.735,52 1.499,53 2.188,54 3.98,55 1.935,56 0.036,57 0.47,58 7.53,59 2.976,60 6.256,61 4.162,62 0.121,63 0.769,64 13.969,65 5.018,66 13.191,67 7.164,68 0.175,69 0.925,70 17.356,71 6.164,72 16.8,73 8.964,74 0.147,75 0.936,76 18.246,77 6.589,78 15.912,79 9.701,80 0.161,81 0.792,82 17.646,83 6.668,84 15.923,85 9.802,86 0.13,87 0.591,88 13.65,89 4.723,90 14.447,91 6.906,92 0.184,93 0.422,94 10.818,95 3.424,96 14.161,97 5.061,98 0.108,99 0.248,100 7.25,101 2.277,102 9.012,103 3.354,104 6,105 26,106 0.271,107 0.653,108 0.838,109 0.866,110 0.866,111 0.866,112 2.856,113 0.952,114 -2.69,115 -2.71,116 -2.63,121 40.6,122 1,123 1,126 1,127 1,129 1,144 3,145 2,146 1,154 2,176 4,180 2,185 5,187 4,192 2,196 1,197 5,200 5,206 1,211 1,214 4,219 1,222 1,224 2,227 3,237 1,239 1,244 1,247 1,281 212,282 11.025,283 11.025,284 11.025,285 11.025,286 11.025,287 9.919,288 13.645,289 6.346,290 11.324,291 8.82,292 8.82,293 8.82,294 8.82,295 8.82,296 6.976,297 17.016,298 2.925,299 9.204,300 3.566,301 1.549,302 0.571,303 0.422,304 0.422,305 0.422,306 3.532,311 1,312 1,313 215,314 2,317 19.341,318 56.022,321 79.42,325 0.984,326 8.34,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 34,338 99,339 4.667,340 3.434,341 6.85,342 4.239,343 3.259,344 4.605,345 0.86,346 11.415,347 3.194,348 3.901,349 2.884,350 5.939,351 3.567,352 2.602,353 3.334,354 0.657,355 8.216,356 2.51,357 3.49,358 2.539,359 5.235,360 3.142,361 2.202,362 2.794,364 6.484,365 2.062,366 3.242,367 2.094,368 5.105,369 2.867,370 1.892,371 2.496,373 5.79,374 1.841,375 2.613,376 1.648,377 4.324,378 2.365,379 1.423,380 1.631,382 3.775,383 1.337,384 2.465,385 1.303,386 3.83,387 2.19,388 1.202,389 1.458,391 3.028,392 1.186,393 1.987,394 1.095,395 3.221,396 1.621,397 0.698,398 0.869,400 1.529,401 0.638,402 1.549,403 0.598,404 2.804,405 1.253,406 0.36,407 0.419,409 0.606,410 0.32,411 0.879,412 -0.04,413 2.454,414 0.675,415 -0.284,416 -0.313,418 -0.623,419 -0.271,420 0.72,421 -0.361,422 2.3,423 0.343,424 -0.612,425 -0.73,427 -1.457,428 -0.578,429 0.501,430 -0.721,431 2.217,432 0.111,433 -0.876,434 -1.202,436 -2.599,437 -0.863,438 0.18,439 -0.843,440 2,441 -0.134,442 -1.093,443 -1.284,445 -3.173,446 -1.032,447 -0.267,448 -1.137,449 1.536,450 -0.402,451 -1.367,452 -1.497,454 -3.479,455 -1.314,456 -0.334,457 -1.274,458 1.282,459 -0.703,460 -1.592,461 -1.936,463 -4.253,464 -1.419,465 -0.5,466 -1.657,467 1.227,468 -0.907,469 -1.889,470 -2.172,472 -5.673,473 -1.793,474 7.633,475 0.477,476 0.38,477 0.024,478 19,479 1.188,480 8.5,481 0.531,482 10.5,483 0.656,484 12.104,485 0.756,486 17.567,487 0.549,488 10.758,489 0.672,490 3.699,491 0.231,492 4.093,493 0.256,494 0.131,496 0.393,501 0.997,502 1.271,503 0.88,504 1.085,505 1,506 0.978,507 1.274,508 1.091,509 0.892,510 0.894,511 0.995,512 0.855,513 1.043,514 1.01,515 1.006,516 0.967,517 0.928,518 0.972,519 0.941,520 1.154,521 1.199,522 1.194,523 1.081,524 1.212,525 0.483,526 1.005,527 0.907,528 1.096,529 0.627,530 1.061,531 1.155,532 1.067,533 1.054,534 1.083,535 1.233,536 1.069,537 1.382,538 0.906,539 1.25,540 1.065,541 1.385,542 1.138,543 1.6,544 0.653,545 0.955,546 0.669,547 1.33,548 0.752,549 3,551 2,552 1.389,553 0.982,554 0.403,555 0.213,556 0.075,557 0.02,559 1836,560 3927,561 2.135,562 50,564 9,567 2,569 5,572 1.556,573 2,574 2.683,575 0.39,577 1,578 1,579 1,582 45.894,583 1.434,584 3.451,585 4.429,586 4.578,587 4.578,588 4.578,589 2.18,590 3.75,591 3.972,592 2.72,593 326.385,594 6.711,595 2697.86,597 1,599 1,600 160,601 1.406,602 3.933,603 0.167,605 0.077,606 0.053,607 0.049,608 0.029,609 0.021,610 0.019,611 0.01,613 0.425,614 1,615 1,616 0.875,617 62.371,618 -0.044,619 -0.057,620 0.065,621 -0.002,622 -0.063,623 0.041,624 -0.117,625 0.012,626 0.087,627 0.125,628 0.041,629 0.127,630 -0.069,631 0.073,632 -0.041,633 0.022,634 0.006,635 -0.001,636 -0.136,637 -0.111,638 -0.257,639 -0.21,640 -0.229,641 -0.238,642 0.181,643 -0.114,644 0.032,645 -0.116,646 0.155,647 -0.069,648 -0.067,649 -0.18,650 -0.074,651 -0.134,652 -0.143,653 -0.112,654 -0.002,655 -0.049,656 -0.237,657 -0.171,658 -0.125,659 -0.224,660 -0.164,661 0.067,662 0.077,663 0.215,664 -0.022,665 0.169,666 0.915,667 1.78,668 0.813,669 8.188,670 0.991,671 1.129,672 1.459,673 2.128,674 0.65,675 2.944,676 3.296,677 3.638,678 3.951,679 4.22,680 4.304,681 4.394,682 4.489,683 4.277,684 4.025,685 3.775,686 0.608,687 216.31,688 2.944,689 4.489,690 5.371,691 6.275,692 7.18,693 8.093,694 9.006,695 9.922,696 10.837,697 11.755,698 6.3,700 1,706 1,714 2,715 3,717 1,720 3,722 10,739 1,741 32,743 10,744 1,745 18,747 34,748 13,749 8,750 3,751 3,756 3,757 6,763 1,767 2,770 2,772 8,773 5,790 1,793 16,794 2,795 2,796 3,802 2,808 0.333,809 1,824 1,828 1,829 2,832 2,853 1,859 1,864 2,868 16,876 2,877 1,878 1,880 1,893 3.1,898 1,901 8,902 6.25,903 3.528,904 1.965,907 2.122,908 1.326,909 1.012,910 2.319,911 8.637,912 3.178,913 3.834,914 4.518,915 5.183,916 5.747,917 6.114,918 6.484,919 6.835,920 6.688,921 6.564,922 1,923 26,924 5.912,926 2.5,927 0.026,929 7.448,931 11.707,933 9.909,936 1.948,937 31.167,938 0.006,941 164.795,942 68.68,943 34.796,945 11,948 68.68,949 175.795,950 34.796,951 19.708,952 4.64,953 46.439,955 38.787,956 4.901,957 164.795,959 164.795,960 103.476,961 11,964 105.94,965 69.855,968 48.262,969 55.215,972 164.795,973 45.796,974 68.68,977 164.795,978 20.543,979 48.137,980 34.796,981 11,982 164.795,983 45.796,984 68.68,986 0.584,987 0.361,988 0.201,989 0.117,990 15,991 6,992 0.029,993 1,994 2,995 1.308,996 2.815,997 116.698,998 0.308,999 13,1000 64,1005 10.027,1006 3.7,1007 1.521,1008 2.518,1009 29.011,1010 6.226,1012 3.499,1015 3.704,1017 34.796,1018 279.272,1019 23,1031 31.716,1032 36.112,1034 0.287,1035 0.69,1036 0.886,1037 0.916,1038 0.916,1039 0.916,1040 4.425,1041 0.36,1042 5.371,1043 1.529,1044 3.97,1045 4.516,1046 1.207,1047 6.236,1048 3.898,1049 5.645,1050 -0.284,1051 6.961,1052 0.606,1053 3.611,1054 4.477,1056 7.235,1057 3.526,1058 6.978,1059 -0.612,1060 8.653,1061 -0.623,1062 5.609,1063 6.832,1064 0.903,1065 10.376,1066 5.487,1067 8.354,1068 -0.876,1069 10.404,1070 -1.457,1071 6.089,1072 7.662,1074 12.224,1075 5.955,1076 9.767,1077 -1.093,1078 12.193,1079 -2.599,1080 7.566,1081 9.505,1082 0.678,1083 14.893,1084 7.407,1085 11.206,1086 -1.367,1087 14.009,1088 -3.173,1089 8.432,1090 10.727,1092 17.092,1093 8.261,1094 12.665,1095 -1.592,1096 15.845,1097 -3.479,1098 9.711,1099 12.375,1100 0.512,1101 19.605,1102 9.521,1103 3.259,1104 -1.889,1105 17.697,1106 -4.253,1107 10.753,1108 13.772,1110 21.946,1111 10.548,1112 2.602,1113 11.415,1114 19.561,1115 -5.673,1116 11.96,1117 15.344,1118 0.387,1119 24.406,1120 11.737,1121 2.202,1122 8.216,1123 21.435,1124 4.605,1125 13.078,1126 16.817,1128 26.803,1129 12.84,1130 1.892,1131 6.484,1132 23.318,1133 3.334,1134 14.262,1135 18.36,1136 0.293,1137 29.246,1138 14.005,1139 1.423,1140 5.79,1141 25.208,1142 2.794,1143 15.414,1144 19.864,1146 31.665,1147 15.14,1148 1.202,1149 3.775,1150 27.103,1151 2.496,1152 16.591,1153 21.397,1154 0.221,1155 34.102,1156 16.299,1157 0.698,1158 3.028,1159 29.003,1160 1.631,1161 17.758,1162 22.914,1164 36.53,1165 17.447,1166 1832,1167 2738,1168 12.137,1169 20.796,1170 27.384,1171 27.742,1172 28.565,1173 27.202,1174 27.275,1175 35.211,1176 3.035,1177 81.684,1178 26.179,1179 5.611,1180 5.434,1181 6.398,1182 5.276,1183 5.259,1184 7.605,1185 1.72,1186 18.704,1187 5.194,1188 6.479,1189 1.521,1190 1.541,1191 1.587,1192 1.511,1193 1.515,1194 1.956,1195 0.169,1196 4.538,1197 1.454,1198 4.16,1199 4.193,1200 4.122,1201 4.073,1202 4.99,1203 4.081,1204 3.686,1205 3.739,1206 3.587,1207 3.548,1208 4.632,1209 3.549,1210 3.346,1211 3.408,1212 3.216,1213 3.114,1214 4.279,1215 3.108,1216 3.27,1217 3.356,1218 3.061,1219 3.087,1220 3.911,1221 3.089,1222 3.067,1223 3.157,1224 2.868,1225 2.857,1226 3.822,1227 2.847,1228 2.89,1229 2.966,1230 2.716,1231 2.728,1232 3.642,1233 2.713,1234 2.595,1235 2.727,1236 2.303,1237 2.294,1238 3.235,1239 2.278,1240 2.339,1241 2.426,1242 2.168,1243 2.195,1244 3.036,1245 2.18,1246 0.259,1247 0.191,1248 0.381,1249 0.236,1250 0.181,1251 4.667,1252 0.256,1253 3.434,1254 0.048,1255 6.85,1256 0.634,1257 4.239,1258 0.177,1259 3.259,1260 4.605,1261 0.86,1262 11.415,1263 3.194,1264 1.94,1265 1.922,1266 2.035,1267 2.024,1268 1.304,1269 2.028,1270 1.8,1271 1.746,1272 1.958,1273 1.987,1274 1.109,1275 1.983,1276 1.311,1277 1.24,1278 1.64,1279 1.568,1280 0.853,1281 1.581,1282 1.218,1283 1.142,1284 1.571,1285 1.489,1286 0.578,1287 1.529,1288 1.11,1289 1.031,1290 1.351,1291 1.373,1292 0.483,1293 1.378,1294 0.9,1295 0.826,1296 1.156,1297 1.107,1298 0.265,1299 1.132,1300 0.672,1301 0.602,1302 1.007,1303 0.912,1304 0.11,1305 0.953,1306 0.541,1307 0.409,1308 0.927,1309 0.832,1310 0.091,1311 0.87,1312 3.611,1314 4.949,1315 2.398,1316 6.503,1317 4.844,1318 8.154,1319 7.066,1320 9.855,1322 3.912,1328 2.144,1329 3.465,1330 5.28,1332 0.419,1340 19.445,1341 45.894,1342 110.436,1343 141.735,1344 146.49,1345 146.49,1346 146.49,1347 15.457,1348 6.515,1349 37.05,1350 37.05,1351 17,1352 12.265,1353 3.459,1354 2.585,1355 21.675,1356 37,1357 38,1358 0.32,1359 119.166,1360 194.81,1361 282.525,1362 4686,1364 11.121,1365 0.695,1366 0.602,1367 11.121,1368 9.632,1369 7.792,1370 0.433,1371 0.317,1372 5.632,1373 7.501,1374 5.442,1375 4.52,1376 7.792,1377 5.712,1378 6.983,1379 0.269,1380 0.167,1381 6.983,1382 4.355,1383 6.337,1384 0.171,1385 0.092,1386 6.337,1387 3.405,1388 5.361,1389 0.105,1390 0.05,1391 5.361,1392 2.529,1393 4.552,1394 0.068,1395 0.027,1396 4.552,1397 1.822,1398 0.465,1399 48.73,1400 0.287,1401 15.609,1402 0.99,1403 88,1404 210.401,1405 94.653,1406 203.575,1407 290.41,1408 194,1409 107,1410 222.207,1411 113.849,1412 227.006,1413 335.08,1414 214,1415 5}
{0 CHEMBL221830,1 1.825,2 5,3 1.905,4 3.629,5 51.358,6 12.635,7 0.429,8 3.089,9 3.163,10 3.099,11 2.775,12 4.351,13 2.757,14 3.569,15 3.674,16 3.587,17 3.172,18 4.889,19 3.141,20 3.738,21 3.828,22 3.761,23 3.24,24 5.346,25 3.177,26 3.682,27 3.846,28 3.423,29 3.015,30 4.959,31 2.878,32 3.284,33 3.454,34 3.149,35 2.524,36 4.681,37 2.424,38 2.787,39 2.925,40 3.046,41 1.755,42 4.489,43 1.753,44 2.003,45 2.278,46 0.306,47 0.67,48 3.219,49 0.573,56 0.07,57 0.24,58 0.719,59 1.437,60 8.331,61 1.403,62 0.155,63 0.384,64 3.972,65 2.729,66 20.923,67 2.929,68 0.292,69 0.428,70 7.637,71 3.571,72 48.545,73 3.216,74 0.264,75 0.391,76 27.8,77 4.601,78 31.927,79 4.244,80 0.211,81 0.252,82 11.921,83 2.938,84 37.494,85 2.684,86 0.218,87 0.154,88 4.5,89 1.558,90 26.51,91 0.592,92 0.106,93 0.063,94 3.624,95 0.805,96 21.079,97 0.717,104 17,105 21,106 0.393,107 0.793,108 0.838,109 0.861,110 0.861,111 0.861,112 2.672,113 0.974,114 -3.24,115 -3.23,116 -3.1,119 1,121 47.4,122 1,144 2,145 2,146 2,159 1,160 1,176 3,180 1,183 1,185 2,187 6,191 1,192 2,195 1,197 1,200 5,206 4,211 2,214 1,219 2,224 1,232 3,281 106,282 8.293,283 8.293,284 8.293,285 8.293,286 8.293,287 7.28,288 10.721,289 4.594,290 8.43,291 6.847,292 6.847,293 6.847,294 6.847,295 6.847,296 5.189,297 14.333,298 2.161,299 7.106,300 2.423,301 0.566,302 0.356,303 0.25,304 0.25,305 0.25,306 3.296,312 1,313 134,314 1.732,317 22.881,318 27.056,321 42.133,325 0.615,326 17.573,329 1,330 0.83,331 1,332 0.4,334 1,335 1,336 0.75,337 28.25,338 65,339 4.535,340 3.887,341 6.682,342 4.19,343 3.193,344 4.184,345 1.058,346 10.718,347 3.186,348 3.985,349 3.16,350 5.873,351 3.571,352 2.622,353 3.418,355 7.923,356 2.45,357 3.349,358 2.874,359 5.297,360 2.935,361 1.928,362 2.601,364 6.004,365 1.921,366 3.127,367 2.432,368 4.819,369 2.726,370 1.752,371 2.298,373 5.176,374 1.67,375 2.559,376 1.897,377 3.941,378 2.065,379 1.115,380 1.443,382 2.924,383 0.967,384 1.633,385 1.092,386 2.711,387 1.164,388 0.157,389 0.216,391 0.362,392 0.135,393 0.981,394 0.452,395 2.641,396 0.53,397 -0.361,398 -0.456,400 -0.922,401 -0.251,402 0.694,403 -0.173,404 2.342,405 0.312,406 -0.705,407 -0.955,409 -1.85,410 -0.709,411 0.326,412 -0.304,413 1.762,414 -0.12,415 -1.134,416 -1.442,418 -2.816,419 -0.928,420 -0.124,421 -1.048,422 1.398,423 -0.422,424 -1.401,425 -1.769,427 -4.041,428 -1.287,429 -0.171,430 -1.161,431 1.262,432 -0.666,433 -1.456,434 -2,436 -4.183,437 -1.535,438 -0.5,439 -1.529,440 1.197,441 -0.803,442 -1.788,443 -2.202,445 -5.768,446 -1.751,447 -0.58,448 -1.821,449 1.076,450 -0.981,451 -1.92,452 -2.336,454 -6.577,455 -1.868,456 -0.815,457 -2,458 1,459 -1,460 -2,461 -3,462 -1.058,463 -6.949,464 -2,474 6.9,475 0.531,476 0.494,477 0.038,478 17.5,479 1.346,480 9.5,481 0.731,482 8,483 0.615,484 8.844,485 0.68,486 12.9,487 0.679,488 9.218,489 0.709,490 3.279,491 0.252,492 2.813,493 0.216,494 0.362,496 0.435,501 0.603,502 0.977,503 0.455,504 0.603,505 0.532,506 0.657,507 0.524,508 0.965,509 0.527,510 0.632,511 0.544,512 0.656,513 0.791,514 1.107,515 0.986,516 1.006,517 0.77,518 1.076,519 0.985,520 1.131,521 1.643,522 1.522,523 0.864,524 1.412,525 1.447,526 1,527 1.191,528 1.027,529 1.497,530 0.991,531 1.958,532 0.9,533 1.271,534 1.448,535 2.167,536 1.296,537 2.495,539 0.189,540 0.01,541 2.846,542 0.403,549 3.5,551 2.222,552 1.514,553 0.759,554 0.469,559 895,560 3972,561 1.948,562 31.6,563 3,564 2,567 1,572 1.491,573 1.733,574 2.415,575 -0.127,582 34.672,583 1.825,584 3.682,585 3.892,586 3.998,587 3.998,588 3.998,589 1.577,590 3.085,591 3.677,592 2.391,593 186.507,594 6.116,595 1357.86,597 1,600 80.711,601 1.526,602 3.574,603 0.25,605 0.106,606 0.076,607 0.063,608 0.059,613 0.553,614 1,615 1,616 0.808,617 45.691,618 -0.067,619 0.043,620 -0.004,621 0.042,622 -0.057,623 0.05,624 0.112,625 0.019,626 0.042,627 0.107,628 0.048,629 0.166,630 0.125,631 -0.164,632 -0.079,633 -0.117,634 0.153,635 -0.241,636 -0.123,637 -0.241,638 -0.243,639 -0.37,640 -0.069,641 -0.313,642 -0.241,643 -0.134,644 -0.039,645 0.088,646 -0.213,647 0.13,648 -0.177,649 0.15,650 0.086,651 -0.296,652 -0.292,653 -0.334,654 -0.657,655 0.901,656 0.17,657 1.006,658 -0.715,659 0.998,666 2.215,667 4.233,668 0.692,669 5.444,670 1.033,671 1.105,672 2.01,673 4.038,674 0.766,675 2.708,676 3.091,677 3.367,678 3.584,679 3.761,680 3.714,681 3.611,682 3.367,683 2.398,684 1.099,685 3.158,686 0.74,687 240.06,688 2.708,689 4.263,690 5.13,691 6.028,692 6.919,693 7.819,694 8.715,695 9.615,696 10.512,697 11.412,698 5.3,705 1,715 2,720 4,722 6,727 1,740 1,741 19,743 8,744 1,745 14,746 1,747 20,748 9,749 6,750 4,751 2,752 2,756 2,757 3,763 1,772 8,773 1,777 2,782 2,786 2,793 6,794 3,795 1,796 4,797 1,802 1,808 0.5,809 2,828 1,829 1,832 1,843 1,859 1,863 1,864 1,868 13,877 1,892 1,893 10.5,896 2,901 7.5,902 3.893,903 2.778,904 1.077,907 1.521,908 1.272,909 0.996,910 1.825,911 7.12,912 2.996,913 3.624,914 4.193,915 4.681,916 5.202,917 5.371,918 5.457,919 5.418,920 4.676,921 3.596,922 0.5,923 20,924 4.792,925 -0.003,926 2.101,927 0.026,929 8.212,931 8.76,932 -0.001,933 7.171,934 0.001,936 2.712,937 35.25,938 0.004,941 58.856,942 49.799,943 63.965,945 50.29,948 95.753,949 109.145,950 18.011,951 8.825,952 18.011,953 18.952,954 60.128,955 12.183,957 58.856,958 45.954,959 58.856,960 67.81,961 50.29,963 45.954,964 58.856,965 50.29,968 26.836,969 40.974,971 45.954,972 58.856,973 68.301,974 95.753,977 58.856,978 22.021,979 27.778,980 63.965,981 50.29,982 58.856,983 68.301,984 95.753,986 0.61,987 0.37,988 0.179,989 0.1,990 12,991 6,994 1,995 1.222,996 2.394,997 82.553,998 0.222,999 9,1000 48.106,1005 8.604,1006 2.757,1007 1.226,1009 68.301,1010 3.452,1015 2.892,1017 18.011,1018 222.909,1019 19,1024 22.21,1028 -1.002,1031 19.636,1032 21.004,1034 0.43,1035 0.867,1036 0.916,1037 0.941,1038 0.941,1039 0.941,1040 4.256,1041 -0.705,1042 5.176,1043 -0.922,1044 3.761,1045 4.304,1046 1.176,1047 6.043,1048 3.703,1049 5.51,1050 -1.134,1051 6.79,1052 -1.85,1053 3.611,1054 4.369,1056 7.029,1057 3.523,1058 6.856,1059 -1.401,1060 8.498,1061 -2.816,1062 5.425,1063 6.533,1064 1.255,1065 10.134,1066 5.343,1067 8.234,1068 -1.456,1069 10.254,1070 -4.041,1071 6.019,1072 7.325,1074 11.898,1075 5.922,1076 9.639,1077 -1.788,1078 12.04,1079 -4.183,1080 7.398,1081 9.052,1082 1.338,1083 14.543,1084 7.306,1085 11.064,1086 -1.92,1087 13.845,1088 -5.768,1089 8.313,1090 10.168,1092 16.65,1093 8.219,1094 12.504,1095 -2,1096 15.666,1097 -6.577,1098 9.539,1099 11.727,1100 1.422,1101 19.125,1102 9.448,1103 3.193,1105 17.499,1106 -6.949,1107 10.59,1108 12.995,1110 21.383,1111 10.503,1112 2.622,1113 10.718,1114 19.342,1116 11.763,1117 14.482,1118 1.51,1119 23.792,1120 11.68,1121 1.928,1122 7.923,1123 21.193,1124 4.184,1125 12.872,1126 15.827,1128 26.115,1129 12.794,1130 1.752,1131 6.004,1132 23.052,1133 3.418,1134 14.029,1135 17.282,1136 1.599,1137 28.499,1138 13.955,1139 1.115,1140 5.176,1141 24.916,1142 2.601,1143 15.163,1144 18.666,1146 30.849,1147 15.093,1148 0.157,1149 2.924,1150 26.785,1151 2.298,1152 16.316,1153 20.106,1154 1.69,1155 33.225,1156 16.249,1157 -0.361,1158 0.362,1159 28.659,1160 1.443,1161 17.462,1162 21.511,1164 35.587,1165 17.398,1166 981,1167 2114,1168 8.671,1169 14.551,1170 22.089,1171 24.035,1172 23.224,1173 21.73,1174 21.531,1175 28.32,1176 2.117,1177 66.211,1178 20.658,1179 5.35,1180 5.887,1181 5.682,1182 5.19,1183 5.193,1184 7.184,1185 2.117,1186 17.667,1187 5.186,1188 7.494,1189 1.578,1190 1.717,1191 1.659,1192 1.552,1193 1.538,1194 2.023,1195 0.151,1196 4.729,1197 1.476,1198 4.014,1199 4.03,1200 6.88,1201 3.951,1202 7.499,1203 3.947,1204 3.509,1205 3.53,1206 3.935,1207 3.357,1208 7.352,1209 3.369,1210 3.068,1211 3.124,1212 3.369,1213 2.943,1214 4.711,1215 2.913,1216 2.838,1217 2.895,1218 2.896,1219 2.637,1220 4.024,1221 2.637,1222 2.524,1223 2.546,1224 2.707,1225 2.398,1226 3.732,1227 2.336,1228 2.396,1229 2.409,1230 2.296,1231 2.048,1232 3.438,1233 2.11,1234 1.869,1235 1.94,1236 2.111,1237 1.592,1238 2.982,1239 1.479,1240 1.401,1241 1.516,1242 1.524,1243 1.197,1244 2.429,1245 1.163,1246 0.324,1247 0.278,1248 0.477,1249 0.299,1250 0.228,1251 4.535,1252 0.299,1253 3.887,1254 0.076,1255 6.682,1256 0.766,1257 4.19,1258 0.228,1259 3.193,1260 4.184,1261 1.058,1262 10.718,1263 3.186,1264 1.901,1265 1.886,1266 1.964,1267 1.96,1268 1.153,1269 1.973,1270 1.366,1271 1.366,1272 1.52,1273 1.65,1274 0.609,1275 1.578,1276 1.22,1277 1.151,1278 1.416,1279 1.431,1280 0.336,1281 1.462,1282 0.802,1283 0.771,1284 0.971,1285 0.972,1286 0.023,1287 0.989,1288 0.556,1289 0.472,1290 0.803,1291 0.83,1293 0.847,1296 0.147,1297 0.355,1299 0.226,1302 0.038,1303 0.152,1305 0.209,1312 3.367,1314 4.727,1315 2.398,1316 6.279,1317 4.844,1318 7.915,1319 7.002,1320 9.596,1321 3.326,1322 1.875,1329 2.497,1340 14.057,1341 34.672,1342 69.956,1343 73.956,1344 75.956,1345 75.956,1346 75.956,1347 21.004,1348 5.598,1349 49.93,1350 49.93,1351 11,1352 11.935,1353 3.17,1354 2.585,1355 19.037,1356 26,1357 18,1358 0.428,1359 94.378,1360 163.3,1361 222.043,1362 1316,1363 5.3,1364 9.585,1365 0.737,1366 0.649,1367 10.585,1368 8.435,1369 6.092,1370 0.435,1371 0.325,1372 3.756,1373 5.359,1374 3.583,1375 2.96,1376 6.67,1377 4.545,1378 5.922,1379 0.282,1380 0.18,1381 6.664,1382 3.785,1383 5.143,1384 0.184,1385 0.102,1386 5.948,1387 2.852,1388 3.768,1389 0.108,1390 0.046,1391 4.207,1392 1.618,1393 3.02,1394 0.072,1395 0.027,1396 3.448,1397 1.118,1398 0.605,1399 46.488,1400 0.34,1401 12.589,1402 1.378,1403 70,1404 248.458,1405 142.243,1406 275.019,1407 353.1,1408 252,1409 84,1410 223.26,1411 124.566,1412 239.442,1413 352.35,1414 224,1415 4}
{0 CHEMBL221873,1 1.646,2 9.409,3 1.459,4 2.128,5 78.016,6 8.715,7 0.5,8 3.66,9 3.747,10 3.34,11 3.225,12 4.958,13 3.245,14 4.127,15 4.239,16 3.719,17 3.591,18 5.46,19 3.602,20 4.395,21 4.542,22 3.781,23 3.663,24 5.86,25 3.665,26 4.375,27 4.554,28 3.608,29 3.553,30 5.706,31 3.538,32 4.268,33 4.429,34 3.544,35 3.343,36 5.865,37 3.365,38 4.081,39 4.259,40 3.302,41 3.182,42 5.606,43 3.187,44 3.898,45 4.072,46 3.238,47 3.159,48 5.358,49 3.153,50 3.835,51 3.97,52 3.136,53 3.168,54 5.236,55 3.139,56 0.123,57 0.474,58 4.832,59 2.85,60 18.19,61 2.907,62 0.248,63 0.756,64 8.484,65 4.545,66 25.194,67 4.998,68 0.563,69 0.923,70 14.262,71 5.917,72 84.577,73 6.39,74 0.439,75 0.877,76 15.567,77 6.095,78 67.255,79 6.906,80 0.602,81 0.744,82 14.58,83 5.229,84 104.703,85 5.589,86 0.534,87 0.632,88 12.63,89 4.191,90 94.403,91 4.479,92 0.354,93 0.539,94 9.873,95 3.744,96 59.537,97 4.277,98 0.3,99 0.488,100 8.169,101 3.726,102 44.842,103 3.826,104 17,105 34,106 0.3,107 0.622,108 0.74,109 0.847,110 0.873,111 0.873,112 3.147,113 0.825,114 -2.7,115 -2.71,116 -2.64,121 47.1,127 1,144 8,145 1,146 3,159 1,160 2,176 6,179 1,180 3,183 1,185 4,187 6,191 3,192 4,195 1,197 4,200 4,206 7,218 1,219 9,222 1,223 1,224 2,231 1,232 4,235 1,237 2,244 3,247 1,249 1,251 4,256 4,259 1,264 8,269 2,277 6,281 608,282 14.637,283 14.637,284 14.637,285 14.637,286 14.637,287 12.821,288 17.284,289 8.55,290 14.755,291 11.812,292 11.812,293 11.812,294 11.812,295 11.812,296 8.977,297 22.488,298 4.063,299 11.99,300 3.442,301 1.669,302 1.022,303 0.434,304 0.294,305 0.294,306 3.823,310 1,311 1,312 1,313 445,314 2.915,317 47.202,318 129.895,321 89.07,325 1.372,326 36.252,328 1,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 49,338 207,339 4.587,340 3.99,341 6.972,342 4.296,343 3.308,344 4.13,345 1.96,346 11.74,347 3.269,348 4.043,349 3.594,350 5.69,351 3.651,352 2.675,353 3.629,354 1.197,355 7.621,356 2.603,357 3.687,358 2.961,359 5.542,360 3.343,361 2.357,362 2.988,363 0.357,364 7.076,365 2.315,366 3.595,367 2.759,368 5.483,369 3.163,370 2.143,371 2.902,372 0.127,373 6.609,374 2.179,375 3.36,376 2.718,377 5.001,378 3.031,379 2.063,380 2.575,382 5.934,383 1.979,384 3.175,385 2.288,386 4.667,387 2.778,388 1.775,389 2.319,391 4.968,392 1.762,393 2.842,394 1.858,395 3.696,396 2.361,397 1.354,398 1.97,400 2.958,401 1.36,402 2.5,403 1.326,404 3.64,405 2,406 1,407 1.5,409 2.323,410 1,411 2.424,412 1.163,413 3.414,414 1.929,415 0.923,416 1.311,418 2.275,419 0.924,420 1.917,421 1,422 3.132,423 1.395,424 0.338,425 0.466,427 0.823,428 0.348,429 1.404,430 0.711,431 2.702,432 1.045,433 0.067,434 0.086,436 0.149,437 0.065,438 0.939,439 0.36,440 2.361,441 0.551,442 -0.456,443 -0.581,445 -1.133,446 -0.449,447 0.718,448 -0.018,449 2.142,450 0.309,451 -0.667,452 -0.855,454 -1.609,455 -0.643,456 0.628,457 -0.115,458 2,459 0.202,460 -0.832,461 -1.168,463 -2.018,464 -0.848,465 0.5,466 -0.752,467 2,468 0.03,469 -1,470 -1.423,472 -2.515,473 -1,474 10.133,475 0.461,476 0.613,477 0.028,478 32.25,479 1.466,480 18,481 0.818,482 14.25,483 0.648,484 12.629,485 0.574,486 22.867,487 0.673,488 23.844,489 1.084,490 6.665,491 0.303,492 3.894,493 0.177,494 0.132,496 0.385,501 0.729,502 1.153,503 0.67,504 0.911,505 0.63,506 0.797,507 0.6,508 1.234,509 0.742,510 1.074,511 0.584,512 0.974,513 0.927,514 0.992,515 1.003,516 1.004,517 0.932,518 1.016,519 1.058,520 1.123,521 1.035,522 1.106,523 1.002,524 1.065,525 1.261,526 1.1,527 1.055,528 1.043,529 1.403,530 1.009,531 1.292,532 0.886,533 1.129,534 0.81,535 1.298,536 0.888,537 0.914,538 0.775,539 0.86,540 0.768,541 0.854,542 0.777,543 1.124,544 0.818,545 1.17,546 0.98,547 1.194,548 1.077,549 4.5,550 0.098,551 2.667,552 2.361,553 1.124,554 0.733,555 0.402,556 0.306,557 0.157,558 0.119,559 4935,560 16942,561 2.043,562 35.3,564 10,567 2,572 1.644,573 1.886,574 3.181,575 0.348,577 1,579 1,582 55.954,583 1.646,584 3.418,585 4.065,586 4.653,587 4.793,588 4.793,589 2.629,590 4.005,591 4.433,592 3.33,593 769.297,594 7.608,595 8421.72,596 1,597 1,599 1,600 172.974,601 1.495,602 4.376,603 0.188,604 0.011,605 0.078,606 0.069,607 0.04,608 0.029,609 0.02,610 0.015,611 0.009,612 0.009,613 0.468,614 0.67,615 1,616 0.65,617 101.049,618 -0.102,619 -0.063,620 -0.004,621 0.043,622 -0.086,623 0.049,624 0.063,625 -0.149,626 -0.003,627 -0.133,628 0.007,629 -0.103,630 0.03,631 0.038,632 -0.091,633 -0.064,634 -0.002,635 -0.103,636 -0.136,637 -0.152,638 -0.037,639 -0.141,640 -0.078,641 -0.073,642 -0.017,643 -0.155,644 0.003,645 -0.094,646 -0.032,647 -0.06,648 -0.1,649 0.098,650 -0.062,651 0.13,652 -0.055,653 0.068,654 0.019,655 0.208,656 0.13,657 0.207,658 0.079,659 0.216,660 -0.154,661 0.116,662 -0.267,663 0.019,664 -0.185,665 -0.121,666 2.373,667 5.037,668 0.682,669 15.909,670 1.027,671 1.115,672 1.467,673 2.152,674 0.695,675 3.219,676 3.555,677 3.829,678 4.094,679 4.29,680 4.22,681 4.277,682 4.277,683 4.19,684 4.234,685 5.526,686 0.692,687 296.3,688 3.219,689 4.762,690 5.617,691 6.503,692 7.38,693 8.272,694 9.158,695 10.054,696 10.946,697 11.844,698 5.9,705 2,715 8,720 4,722 12,727 1,738 1,741 34,743 15,744 2,745 24,747 36,748 16,749 12,750 4,751 8,752 2,756 3,757 4,772 15,773 1,777 3,782 3,786 3,789 1,790 1,793 12,794 6,795 2,796 6,802 2,808 0.667,809 4,828 1,829 2,832 1,843 1,844 1,859 2,868 22,875 1,876 1,877 1,881 1,893 11.8,895 1,896 3,901 11.667,902 6.067,903 4.806,904 1.868,907 2.28,908 1.335,909 0.967,910 3.652,911 9.081,912 3.526,913 4.094,914 4.625,915 5.131,916 5.627,917 5.624,918 5.852,919 6.003,920 5.963,921 6.151,922 1,923 34,924 8.173,926 3.64,927 0.026,929 8.258,931 14.777,933 12.066,936 2.758,937 60.667,941 117.711,942 101.158,943 21.135,945 118.118,948 101.158,949 235.829,950 21.135,952 23.241,953 75.81,954 132.661,955 8.699,957 117.711,959 117.711,960 122.293,961 118.118,964 117.711,965 118.118,968 23.241,969 99.052,972 117.711,973 139.253,974 101.158,977 117.711,978 25.348,979 78.934,980 18.011,981 118.118,982 117.711,983 139.253,984 101.158,986 0.587,987 0.346,988 0.188,989 0.107,990 17,991 8,992 0.083,993 3,994 1,995 1.133,996 3.408,997 171.366,998 0.133,999 15,1000 94.107,1005 14.295,1006 5.621,1007 2.744,1009 139.253,1010 12.528,1015 1.338,1017 60.694,1018 358.122,1019 33,1024 35.828,1028 -1.737,1031 34.931,1032 37.91,1034 0.323,1035 0.672,1036 0.799,1037 0.915,1038 0.942,1039 0.942,1040 4.762,1041 1,1042 5.617,1043 2.958,1044 4.234,1045 4.779,1046 2.349,1047 6.447,1048 4.208,1049 5.973,1050 0.923,1051 7.192,1052 2.323,1053 3.892,1054 4.575,1055 1.668,1056 7.394,1057 3.853,1058 7.28,1059 0.338,1060 8.869,1061 2.275,1062 5.844,1063 6.906,1064 3.192,1065 10.534,1066 5.783,1067 8.62,1068 0.067,1069 10.607,1070 0.823,1071 6.312,1072 7.471,1073 3.162,1074 12.365,1075 6.243,1076 9.992,1077 -0.456,1078 12.385,1079 0.149,1080 7.769,1081 9.312,1082 4.289,1083 15.052,1084 7.68,1085 11.387,1086 -0.667,1087 14.192,1088 -1.133,1089 8.626,1090 10.254,1091 4.591,1092 17.269,1093 8.53,1094 12.802,1095 -0.832,1096 16.024,1097 -1.609,1098 9.899,1099 11.882,1100 5.512,1101 19.808,1102 9.786,1103 3.308,1104 -1,1105 17.874,1106 -2.018,1107 10.94,1108 13.028,1109 5.987,1110 22.18,1111 10.819,1112 2.675,1113 11.74,1114 19.741,1115 -2.515,1116 12.149,1117 14.551,1118 6.798,1119 24.669,1120 12.015,1121 2.357,1122 7.621,1123 21.622,1124 4.13,1125 13.273,1126 15.811,1127 7.363,1128 27.099,1129 13.131,1130 2.143,1131 7.076,1132 23.513,1133 3.629,1134 14.464,1135 17.279,1136 8.113,1137 29.571,1138 14.31,1139 2.063,1140 6.609,1141 25.414,1142 2.988,1143 15.625,1144 18.604,1145 8.727,1146 32.022,1147 15.462,1148 1.775,1149 5.934,1150 27.323,1151 2.902,1152 16.813,1153 20.043,1154 9.443,1155 34.488,1156 16.638,1157 1.354,1158 4.968,1159 29.238,1160 2.575,1161 17.991,1162 21.405,1163 10.083,1164 36.946,1165 17.807,1166 4819,1167 9025,1168 15.72,1169 23.636,1170 36.818,1171 38.891,1172 37.805,1173 36.073,1174 36.006,1175 47.753,1176 7.282,1177 104.953,1178 35.607,1179 5.528,1180 5.99,1181 6.65,1182 5.335,1183 5.308,1184 7.13,1185 3.435,1186 18.952,1187 5.269,1188 11.408,1189 1.534,1190 1.62,1191 1.575,1192 1.503,1193 1.5,1194 1.99,1195 0.303,1196 4.373,1197 1.484,1198 4.024,1199 4.047,1200 3.991,1201 3.923,1202 7.498,1203 3.934,1204 3.902,1205 3.929,1206 3.846,1207 3.819,1208 7.428,1209 3.821,1210 3.553,1211 3.589,1212 3.48,1213 3.359,1214 7.352,1215 3.385,1216 3.375,1217 3.38,1218 3.331,1219 3.156,1220 6.471,1221 3.195,1222 3.003,1223 3.05,1224 2.914,1225 2.802,1226 4.714,1227 2.817,1228 2.854,1229 2.925,1230 2.756,1231 2.735,1232 4.646,1233 2.715,1234 2.853,1235 2.895,1236 2.687,1237 2.687,1238 3.944,1239 2.691,1240 2.605,1241 2.619,1242 2.545,1243 2.417,1244 3.727,1245 2.443,1246 0.191,1247 0.166,1248 0.29,1249 0.179,1250 0.138,1251 4.587,1252 0.172,1253 3.99,1254 0.082,1255 6.972,1256 0.489,1257 4.296,1258 0.136,1259 3.308,1260 4.13,1261 1.96,1262 11.74,1263 3.269,1264 1.889,1265 1.864,1266 1.993,1267 2.004,1268 1.102,1269 2,1270 1.872,1271 1.849,1272 1.977,1273 1.958,1274 1.051,1275 1.965,1276 1.527,1277 1.497,1278 1.666,1279 1.772,1280 0.834,1281 1.736,1282 1.246,1283 1.24,1284 1.326,1285 1.51,1286 0.302,1287 1.446,1288 0.955,1289 0.91,1290 1.181,1291 1.213,1292 0.218,1293 1.192,1294 0.886,1295 0.821,1296 1.138,1297 1.062,1298 0.177,1299 1.107,1300 0.804,1301 0.755,1302 1.071,1303 1.021,1304 0.126,1305 1.024,1306 0.736,1307 0.704,1308 0.925,1309 0.975,1311 0.972,1312 3.892,1314 5.22,1315 2.398,1316 6.742,1317 4.949,1318 8.349,1319 7.195,1320 10.003,1327 9.191,1328 -0.248,1329 2.607,1333 1.16,1340 23.536,1341 55.954,1342 116.219,1343 138.219,1344 158.219,1345 162.974,1346 162.974,1347 50.179,1348 6.8,1349 88.4,1350 88.4,1351 17,1352 12.369,1353 4,1354 3.322,1355 34.552,1356 73,1357 78,1358 0.235,1359 145.295,1360 259.88,1361 346.279,1362 7470,1364 15.69,1365 0.713,1366 0.52,1367 15.69,1368 11.445,1369 10.559,1370 0.44,1371 0.275,1372 6.502,1373 10.138,1374 6.398,1375 5.275,1376 10.559,1377 6.602,1378 9.697,1379 0.285,1380 0.142,1381 9.697,1382 4.833,1383 8.151,1384 0.181,1385 0.074,1386 8.151,1387 3.332,1388 6.626,1389 0.112,1390 0.039,1391 6.626,1392 2.294,1393 5.499,1394 0.076,1395 0.021,1396 5.499,1397 1.505,1398 0.366,1399 66.606,1400 0.252,1401 21.654,1402 0.653,1403 116,1404 411.334,1405 129.438,1406 392.668,1407 518.06,1408 362,1409 137,1410 366.714,1411 150.551,1412 369.012,1413 539.81,1414 347,1415 4}
{0 CHEMBL222149,1 1.446,2 9.652,3 3.716,4 13.812,5 91.349,6 7.172,7 0.48,8 3.838,9 3.958,10 3.374,11 3.418,12 4.937,13 3.382,14 4.374,15 4.551,16 3.772,17 3.825,18 5.429,19 3.776,20 4.64,21 4.818,22 3.853,23 3.983,24 5.845,25 3.901,26 4.808,27 5.068,28 3.663,29 3.934,30 5.812,31 3.797,32 4.654,33 4.917,34 3.425,35 3.713,36 5.702,37 3.574,38 4.354,39 4.626,40 3.285,41 3.479,42 5.341,43 3.373,44 4.082,45 4.271,46 3.274,47 3.413,48 5.262,49 3.351,50 4.178,51 4.4,52 3.123,53 3.396,54 5.234,55 3.275,56 0.02,57 0.597,58 8.878,59 4.011,60 5.985,61 5.339,62 0.161,63 0.988,64 16.54,65 6.713,66 15.783,67 9.197,68 0.246,69 1.232,70 21.948,71 8.817,72 46.999,73 12.054,74 0.265,75 1.358,76 28.455,77 10.449,78 51.339,79 14.88,80 0.319,81 1.124,82 25.026,83 8.681,84 59.524,85 12.166,86 0.198,87 0.852,88 18.476,89 6.354,90 36.184,91 9.048,92 0.147,93 0.7,94 12.872,95 4.543,96 24.783,97 6.105,98 0.12,99 0.712,100 14.642,101 5.761,102 30.19,103 7.81,104 27,105 37,106 0.252,107 0.562,108 0.671,109 0.752,110 0.772,111 0.772,112 3.188,113 0.921,114 -4.78,115 -4.69,116 -4.41,121 44.2,122 3,125 1,128 1,144 8,145 2,146 2,159 1,160 1,176 12,179 1,180 3,183 1,185 2,187 16,191 2,192 4,197 2,200 12,206 7,209 1,211 3,214 6,219 5,222 1,224 3,232 3,237 4,239 4,244 5,251 8,256 6,264 8,269 2,277 6,281 663,282 14.955,283 14.955,284 14.955,285 14.955,286 14.955,287 13.384,288 20.342,289 8.509,290 15.072,291 12.287,292 12.287,293 12.287,294 12.287,295 12.287,296 9.781,297 27.488,298 3.988,299 12.448,300 3.98,301 2.205,302 1.582,303 1.117,304 1.007,305 1.007,306 3.862,310 1,311 1,312 1,313 472,314 3.391,317 50.956,318 136.074,321 96.02,325 1.437,326 22.851,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 49,338 222,339 4.583,340 3.979,341 7.111,342 4.313,343 3.314,344 4.128,345 1.219,346 11.718,347 3.313,348 4.439,349 3.538,350 6.968,351 4.29,352 3.302,353 3.834,354 0.557,355 11.657,356 3.264,357 3.822,358 2.992,359 5.639,360 3.471,361 2.501,362 3.163,363 0.21,364 7.194,365 2.426,366 3.605,367 2.786,368 5.538,369 3.171,370 2.164,371 2.965,373 6.836,374 2.182,375 3.347,376 2.605,377 5.342,378 3.073,379 2.081,380 2.483,382 6.594,383 2.036,384 2.945,385 1.93,386 4.585,387 2.618,388 1.631,389 2.056,391 4.708,392 1.608,393 2.842,394 1.666,395 3.789,396 2.361,397 1.354,398 1.97,400 2.962,401 1.36,402 2.5,403 1.329,404 3.64,405 2.03,406 1.051,407 1.5,409 2.64,410 1.025,411 2.458,412 1.219,413 3.414,414 2,415 1,416 1.403,418 2.275,419 1,420 2.145,421 1,422 3.309,423 1.684,424 0.666,425 0.877,427 1.571,428 0.667,429 1.482,430 0.66,431 2.892,432 1.094,433 0.055,434 0.076,436 0.131,437 0.056,438 0.923,439 -0.018,440 2.632,441 0.558,442 -0.43,443 -0.55,445 -1.027,446 -0.424,447 0.725,448 -0.18,449 2.354,450 0.301,451 -0.707,452 -0.925,454 -1.707,455 -0.705,456 0.552,457 -0.72,458 2.078,459 0.088,460 -0.91,461 -1,463 -2.212,464 -0.908,465 0.5,466 -0.827,467 2,469 -1,470 -1,472 -3,473 -1,474 10.967,475 0.477,476 0.796,477 0.035,478 30.25,479 1.315,480 16,481 0.696,482 14.25,483 0.62,484 18.002,485 0.783,486 24.433,487 0.568,488 21.48,489 0.934,490 5.788,491 0.252,492 5.089,493 0.221,494 0.198,495 0.046,496 0.31,501 0.638,502 1.244,503 0.809,504 1.051,505 0.559,506 0.963,507 0.615,508 0.941,509 0.744,510 0.857,511 0.532,512 0.816,513 0.691,514 1.303,515 1.037,516 1.257,517 0.653,518 1.2,519 0.798,520 1.086,521 0.946,522 1.052,523 0.78,524 1.024,525 1.18,526 0.992,527 1.037,528 0.974,529 1.239,530 0.988,531 1.06,532 0.822,533 0.797,534 0.722,535 0.961,536 0.72,537 1.436,538 0.875,539 1.173,540 0.922,541 1.133,542 0.973,543 1.07,544 1.137,545 1.074,546 1.145,547 1.167,548 1.126,549 5.5,550 0.2,551 3.556,552 2.486,553 0.924,554 0.868,555 0.456,556 0.234,557 0.202,558 0.253,559 5626,560 13444,561 2.006,562 46.5,563 9,564 8,565 2,567 1,572 1.653,573 1.828,574 3.204,575 -0.369,577 1,579 1,582 62.18,583 1.446,584 3.221,585 3.844,586 4.309,587 4.42,588 4.42,589 2.682,590 3.849,591 4.498,592 3.417,593 864.571,594 7.722,595 9929.9,597 1,599 1,600 233.329,601 1.72,602 4.418,603 0.22,604 0.013,605 0.096,606 0.067,607 0.032,608 0.039,609 0.022,610 0.011,611 0.012,612 0.017,613 0.529,614 0.33,615 1,616 0.872,617 108.09,618 -0.019,619 -0.096,620 0.042,621 -0.011,622 -0.063,623 0.017,624 0.128,625 0.166,626 0.166,627 0.142,628 0.053,629 0.155,630 0.19,631 -0.25,632 -0.113,633 -0.264,634 0.172,635 -0.234,636 0.063,637 -0.133,638 0.039,639 -0.087,640 0.037,641 -0.039,642 -0.028,643 -0.058,644 -0.015,645 -0.026,646 -0.061,647 -0.022,648 -0.042,649 0.132,650 0.22,651 0.227,652 0.008,653 0.255,654 -0.251,655 0.229,656 -0.206,657 0.025,658 -0.06,659 -0.052,660 -0.075,661 -0.196,662 -0.105,663 -0.148,664 -0.073,665 -0.138,666 2.148,667 5.105,668 0.652,669 17.803,670 0.996,671 1.12,672 3.547,673 12.583,674 0.669,675 3.258,676 3.638,677 3.892,678 4.111,679 4.29,680 4.317,681 4.344,682 4.344,683 4.394,684 4.522,685 5.914,686 0.633,687 308.41,688 3.258,689 4.828,690 5.687,691 6.586,692 7.465,693 8.366,694 9.251,695 10.153,696 11.042,697 11.945,698 4.7,703 1,705 1,715 8,720 4,722 12,727 1,734 1,741 43,743 14,744 2,745 25,747 45,748 19,749 12,750 4,751 8,752 2,756 3,757 4,763 3,764 1,772 14,773 5,777 2,782 2,786 2,790 1,793 20,794 4,795 1,796 4,802 2,808 0.667,809 2,828 1,829 2,832 1,844 1,859 2,864 3,868 23,876 1,877 1,881 1,882 1,893 4.7,896 2,901 12.583,902 8.7,903 4.889,904 2.526,907 2.364,908 1.339,909 0.96,910 3.887,911 9.329,912 3.526,913 4.111,914 4.663,915 5.146,916 5.628,917 5.726,918 5.93,919 6.036,920 6.223,921 6.563,922 1,923 37,924 8.54,926 3.679,927 0.026,929 7.815,931 16.232,933 13.441,936 2.315,937 53.25,940 1,941 223.651,942 125.685,943 21.135,945 50.29,948 125.685,949 273.941,950 21.135,951 26.476,952 4.801,953 75.81,954 78.139,955 11.885,956 23.542,957 200.109,959 223.651,960 146.82,961 50.29,964 223.651,965 50.29,968 31.277,969 97.533,970 18.011,972 223.651,973 71.425,974 125.685,977 223.651,978 23.4,979 105.41,980 18.011,981 50.29,982 223.651,983 71.425,984 125.685,986 0.603,987 0.349,988 0.175,989 0.091,990 19,991 9,992 0.089,993 4,994 1,995 1.133,996 3.455,997 182.659,998 0.133,999 15,1000 95.287,1005 15.604,1006 5.729,1007 2.96,1009 71.425,1010 15.225,1015 3.312,1017 18.011,1018 420.761,1019 33,1024 24.06,1028 -0.921,1031 42.811,1032 48.152,1034 0.266,1035 0.594,1036 0.708,1037 0.794,1038 0.814,1039 0.814,1040 4.796,1041 1.051,1042 5.74,1043 2.962,1044 4.317,1045 4.796,1046 1.509,1047 6.629,1048 4.297,1049 6.032,1050 1,1051 7.366,1052 2.64,1053 4.205,1054 4.691,1055 0.325,1056 7.883,1057 4.187,1058 7.367,1059 0.666,1060 9.105,1061 2.275,1062 6.047,1063 6.955,1064 1.598,1065 10.916,1066 6.007,1067 8.738,1068 0.055,1069 10.911,1070 1.571,1071 6.723,1072 7.608,1073 0.705,1074 12.947,1075 6.69,1076 10.142,1077 -0.43,1078 12.757,1079 0.131,1080 8.128,1081 9.407,1082 1.817,1083 15.585,1084 8.077,1085 11.569,1086 -0.707,1087 14.63,1088 -1.027,1089 9.119,1090 10.41,1091 1.105,1092 17.892,1093 9.073,1094 13.014,1095 -0.91,1096 16.522,1097 -1.707,1098 10.381,1099 12.011,1100 2.087,1101 20.412,1102 10.323,1103 3.314,1104 -1,1105 18.428,1106 -2.212,1107 11.497,1108 13.193,1109 1.518,1110 22.817,1111 11.44,1112 3.302,1113 11.718,1114 20.344,1115 -3,1116 12.712,1117 14.698,1118 2.385,1119 25.296,1120 12.647,1121 2.501,1122 11.657,1123 22.268,1124 4.128,1125 13.876,1126 15.977,1127 1.94,1128 27.736,1129 13.809,1130 2.164,1131 7.194,1132 24.199,1133 3.834,1134 15.076,1135 17.433,1136 2.702,1137 30.202,1138 15.004,1139 2.081,1140 6.836,1141 26.134,1142 3.163,1143 16.26,1144 18.766,1145 2.365,1146 32.654,1147 16.183,1148 1.631,1149 6.594,1150 28.074,1151 2.965,1152 17.456,1153 20.196,1154 3.035,1155 35.115,1156 17.374,1157 1.354,1158 4.708,1159 30.016,1160 2.483,1161 18.647,1162 21.559,1163 2.791,1164 37.572,1165 18.561,1166 5539,1167 8761,1168 16.008,1169 28.773,1170 39.294,1171 40.825,1172 39.47,1173 38.298,1174 38.236,1175 48.912,1176 3.971,1177 116.571,1178 37.875,1179 5.508,1180 5.979,1181 6.79,1182 5.366,1183 5.314,1184 7.128,1185 2.319,1186 18.901,1187 5.313,1188 13.468,1189 1.572,1190 1.633,1191 1.579,1192 1.532,1193 1.529,1194 1.956,1195 0.159,1196 4.663,1197 1.515,1198 4.032,1199 4.06,1200 3.993,1201 3.938,1202 7.497,1203 3.944,1204 3.945,1205 3.973,1206 3.883,1207 3.881,1208 7.352,1209 3.88,1210 3.606,1211 3.672,1212 3.475,1213 3.476,1214 4.782,1215 3.465,1216 3.464,1217 3.5,1218 3.388,1219 3.284,1220 4.7,1221 3.309,1222 3.209,1223 3.261,1224 3.087,1225 2.98,1226 4.284,1227 2.997,1228 2.874,1229 3.009,1230 2.749,1231 2.735,1232 4.042,1233 2.715,1234 2.874,1235 3.009,1236 2.687,1237 2.721,1238 3.674,1239 2.715,1240 2.867,1241 2.93,1242 2.546,1243 2.618,1244 3.668,1245 2.57,1246 0.183,1247 0.159,1248 0.284,1249 0.173,1250 0.133,1251 4.583,1252 0.165,1253 3.979,1254 0.049,1255 7.111,1256 0.469,1257 4.313,1258 0.133,1259 3.314,1260 4.128,1261 1.219,1262 11.718,1263 3.313,1264 1.957,1265 1.927,1266 2.089,1267 2.05,1268 1.285,1269 2.064,1270 1.879,1271 1.856,1272 1.983,1273 1.962,1274 1.097,1275 1.97,1276 1.617,1277 1.558,1278 1.844,1279 1.808,1280 0.961,1281 1.818,1282 1.441,1283 1.414,1284 1.592,1285 1.679,1286 0.756,1287 1.653,1288 1.148,1289 1.099,1290 1.417,1291 1.395,1292 0.469,1293 1.371,1294 0.934,1295 0.821,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.934,1301 0.804,1302 1.301,1303 1.239,1304 0.298,1305 1.308,1306 0.886,1307 0.804,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 3.932,1314 5.293,1315 2.398,1316 6.845,1317 4.949,1318 8.474,1319 7.195,1320 10.145,1322 6.503,1328 0.274,1329 3.21,1333 1.481,1334 0.106,1340 27.214,1341 62.18,1342 138.521,1343 165.29,1344 185.29,1345 190.045,1346 190.045,1347 44.519,1348 6.965,1349 51.1,1350 51.1,1351 17,1352 12.467,1353 3.907,1354 3.17,1355 37.063,1356 83,1357 67,1358 0.224,1359 169.007,1360 296.84,1361 404.136,1362 9206,1364 16.613,1365 0.722,1366 0.591,1367 16.613,1368 13.59,1369 10.876,1370 0.435,1371 0.307,1372 7.6,1373 10.593,1374 7.262,1375 6.112,1376 10.876,1377 7.674,1378 10.655,1379 0.288,1380 0.182,1381 10.655,1382 6.742,1383 8.585,1384 0.179,1385 0.085,1386 8.585,1387 4.071,1388 6.765,1389 0.113,1390 0.044,1391 6.765,1392 2.664,1393 5.26,1394 0.073,1395 0.023,1396 5.26,1397 1.683,1398 0.353,1399 67.402,1400 0.25,1401 22.591,1402 0.608,1403 124,1404 333.449,1405 132.842,1406 327.313,1407 445.98,1408 304,1409 147,1410 327.484,1411 156.979,1412 337.06,1413 493.79,1414 315,1415 4}
{0 CHEMBL222190,1 1.875,2 4.25,3 1.335,4 1.782,5 43.499,6 11.349,7 0.462,8 2.953,9 3.012,10 2.851,11 2.623,12 4.301,13 2.641,14 3.403,15 3.467,16 3.282,17 2.998,18 4.848,19 3.008,20 3.599,21 3.691,22 3.386,23 2.973,24 5.321,25 2.98,26 3.361,27 3.476,28 3.038,29 2.69,30 4.866,31 2.65,32 2.927,33 3.046,34 2.623,35 1.85,36 4.869,37 1.911,38 1.729,39 1.923,40 0.295,41 0.509,42 3.135,43 0.491,56 0.104,57 0.206,58 0.535,59 1.075,60 13.755,61 0.881,62 0.188,63 0.318,64 0.817,65 1.835,66 24.079,67 1.651,68 0.377,69 0.353,70 5.049,71 2.664,72 61.781,73 2.448,74 0.292,75 0.265,76 6.014,77 2.31,78 42.198,79 1.898,80 0.305,81 0.151,82 5.875,83 1.655,84 44.892,85 1.28,86 0.104,87 0.042,88 1.741,89 0.516,90 21.7,91 0.343,104 10,105 19,106 0.42,107 0.736,108 0.83,109 0.897,110 0.897,111 0.897,112 2.604,113 0.858,114 -2.79,115 -2.8,116 -2.72,121 50,144 3,145 1,146 2,159 1,160 1,176 3,180 1,183 1,185 1,187 3,191 1,192 2,195 1,197 3,200 3,206 2,211 1,214 1,219 5,281 84,282 7.845,283 7.845,284 7.845,285 7.845,286 7.845,287 6.857,288 7.94,289 4.443,290 7.959,291 6.363,292 6.363,293 6.363,294 6.363,295 6.363,296 4.779,297 9.48,298 2.065,299 6.577,300 2.125,301 0.719,302 0.297,306 3.225,308 1,312 1,313 105,314 1.581,317 19.208,318 24.415,321 36.99,325 0.625,326 19.128,329 1,330 0.67,331 0.83,332 0.4,334 1,335 1,336 0.7,337 26.833,338 51,339 4.543,340 3.895,341 6.771,342 4.199,343 3.208,344 4.171,345 1.058,346 11.005,347 3.18,348 3.801,349 3.116,350 5.764,351 3.367,352 2.402,353 3.176,355 7.416,356 2.274,357 3.201,358 2.878,359 4.965,360 2.784,361 1.801,362 2.396,364 5.281,365 1.73,366 2.857,367 2.068,368 4.236,369 2.399,370 1.414,371 1.996,373 3.66,374 1.382,375 2.532,376 1.538,377 3.576,378 2.007,379 1.022,380 1.378,382 2.428,383 0.948,384 1.463,385 0.887,386 2.473,387 0.975,393 0.909,394 0.228,395 2.285,396 0.41,397 -0.527,398 -0.74,400 -1.207,401 -0.446,402 0.595,403 -0.097,404 2.256,405 0.125,406 -0.888,407 -1.168,409 -2.328,410 -0.863,411 0.109,412 -1.003,413 1.594,414 -0.294,415 -1.327,416 -1.776,418 -3.415,419 -1.112,420 -0.115,421 -1.033,422 1.29,423 -0.601,424 -1.414,425 -2,427 -3.876,428 -1.499,429 -0.5,430 -1.513,431 1.231,432 -0.804,433 -1.79,434 -2.168,436 -5.654,437 -1.745,438 -0.579,439 -1.804,440 1.088,441 -0.966,442 -1.902,443 -2.265,445 -6.096,446 -1.849,447 -0.815,448 -2,449 0.472,450 -1,451 -2,452 -3,453 -1.058,454 -7.214,455 -2,474 5.781,475 0.482,476 0.388,477 0.032,478 17.25,479 1.438,480 9.5,481 0.792,482 7.75,483 0.646,484 5.891,485 0.491,486 12.219,487 0.764,488 9.864,489 0.822,490 3.509,491 0.292,492 2.19,493 0.182,494 0.239,496 0.432,501 0.623,502 0.972,503 0.466,504 0.644,505 0.547,506 0.611,507 0.592,508 1.151,509 0.557,510 0.856,511 0.614,512 0.851,513 0.796,514 1.056,515 0.939,516 1.048,517 0.816,518 1.035,519 1.388,520 1.034,521 1.616,522 1.182,523 1.194,524 1.246,525 1.42,526 0.849,527 1.456,528 1.519,529 1.582,530 1.294,531 2.996,533 1.19,534 0.021,535 3.6,536 0.735,549 2.5,551 2,552 1.451,553 0.693,554 0.142,559 716,560 3421,561 1.991,562 25,564 3,567 1,572 1.466,573 1.8,574 2.241,575 -0.083,582 30,583 1.875,584 3.281,585 3.703,586 4,587 4,588 4,589 1.483,590 3.085,591 3.563,592 2.203,593 145.392,594 5.893,595 1025.44,600 64,601 1.555,602 3.478,603 0.192,605 0.105,606 0.081,607 0.063,608 0.029,613 0.47,614 1,615 1,616 0.799,617 40.226,618 -0.079,619 0.05,620 -0.017,621 0.072,622 -0.054,623 0.072,624 0.045,625 -0.177,626 0.005,627 -0.096,628 -0.013,629 -0.116,630 0.151,631 -0.126,632 -0.001,633 -0.118,634 0.131,635 -0.104,636 -0.384,637 -0.14,638 -0.318,639 -0.141,640 -0.257,641 -0.2,642 0.095,643 -0.006,644 0.047,645 -0.33,646 0.034,647 -0.085,648 -1.134,649 0.892,650 -0.141,651 1.404,652 -1.251,653 0.879,666 2.28,667 4.078,668 0.75,669 4.5,670 1.053,671 1.106,672 1.559,673 2.431,674 0.768,675 2.639,676 2.996,677 3.296,678 3.526,679 3.638,680 3.466,681 3.258,682 3.135,683 2.303,684 1.099,685 2.892,686 0.771,687 181.58,688 2.639,689 4.174,690 5.043,691 5.938,692 6.828,693 7.724,694 8.619,695 9.516,696 10.411,697 11.308,698 6.3,705 1,715 3,720 3,722 6,727 1,740 1,741 16,743 8,744 1,745 13,747 17,748 8,749 6,750 3,751 3,752 2,756 2,757 3,758 1,772 8,777 2,782 2,786 2,793 4,794 3,795 1,796 4,797 1,802 1,808 0.5,809 2,828 1,829 1,832 1,843 1,859 1,865 1,868 12,877 1,892 1,893 12.5,896 2,901 6.667,902 2.976,903 2.611,904 0.883,907 1.544,908 1.284,909 0.997,910 1.496,911 6.982,912 2.944,913 3.541,914 4.123,915 4.609,916 5.076,917 5.11,918 5.205,919 5.269,920 4.699,921 3.841,922 0.667,923 18,924 4.409,925 0.006,926 1.97,927 0.026,929 8.412,931 7.876,932 0.003,933 6.443,934 -0.002,936 2.912,937 34.944,938 0.004,941 35.313,942 47.71,943 18.011,944 39.149,945 50.29,948 47.71,949 124.752,950 18.011,952 18.011,953 28.429,954 60.128,955 9.443,957 35.313,958 39.149,959 35.313,960 65.721,961 50.29,962 39.149,964 35.313,965 50.29,968 18.011,969 47.71,970 39.149,972 35.313,973 68.301,974 86.858,977 35.313,978 19.281,979 28.429,980 18.011,981 89.438,982 35.313,983 68.301,984 86.858,986 0.599,987 0.371,988 0.193,989 0.1,990 11,991 5,994 1,995 1.222,996 2.322,997 73.461,998 0.222,999 9,1000 43.02,1005 7.466,1006 2.405,1007 0.987,1009 68.301,1010 4.833,1015 1.174,1017 18.011,1018 190.472,1019 18,1024 21.942,1028 -1.134,1031 16.847,1032 17.692,1034 0.469,1035 0.82,1036 0.926,1037 1,1038 1,1039 1,1040 4.182,1041 -0.888,1042 5.069,1043 -1.207,1044 3.664,1045 4.22,1046 1.176,1047 5.938,1048 3.61,1049 5.417,1050 -1.327,1051 6.678,1052 -2.328,1053 3.434,1054 4.182,1056 6.963,1057 3.349,1058 6.75,1059 -1.414,1060 8.39,1061 -3.415,1062 5.313,1063 6.422,1064 1.255,1065 10.094,1066 5.234,1067 8.122,1068 -1.79,1069 10.158,1070 -3.876,1071 5.889,1072 7.169,1074 11.942,1075 5.796,1076 9.525,1077 -1.902,1078 11.96,1079 -5.654,1080 7.303,1081 8.938,1082 1.338,1083 14.602,1084 7.211,1085 10.952,1086 -2,1087 13.786,1088 -6.096,1089 8.227,1090 10.039,1092 16.779,1093 8.129,1094 12.397,1096 15.63,1097 -7.214,1098 9.474,1099 11.62,1100 1.422,1101 19.276,1102 9.374,1103 3.208,1105 17.487,1107 10.541,1108 12.886,1110 21.585,1111 10.437,1112 2.402,1113 11.005,1114 19.354,1116 11.731,1117 14.387,1118 1.51,1119 24.021,1120 11.623,1121 1.801,1122 7.416,1123 21.229,1124 4.171,1125 12.855,1126 15.732,1128 26.383,1129 12.742,1130 1.414,1131 5.281,1132 23.111,1133 3.176,1134 14.026,1135 17.195,1136 1.599,1137 28.796,1138 13.908,1139 1.022,1140 3.66,1141 24.998,1142 2.396,1143 15.174,1144 18.58,1146 31.179,1147 15.05,1149 2.428,1150 26.889,1151 1.996,1152 16.34,1153 20.025,1154 1.69,1155 33.583,1156 16.209,1157 -0.527,1159 28.784,1160 1.378,1161 17.497,1162 21.431,1164 35.975,1165 17.359,1166 787,1167 1766,1168 8.266,1169 12.295,1170 20.177,1171 22.156,1172 21.392,1173 19.831,1174 19.696,1175 26.233,1176 2.117,1177 59.578,1178 19.029,1179 5.358,1180 5.895,1181 6.299,1182 5.199,1183 5.208,1184 7.171,1185 2.117,1186 18.219,1187 5.18,1188 6.01,1189 1.552,1190 1.704,1191 1.646,1192 1.525,1193 1.515,1194 2.018,1195 0.163,1196 4.583,1197 1.464,1198 4.001,1199 4.016,1200 4.068,1201 3.918,1202 7.499,1203 3.924,1204 3.442,1205 3.454,1206 3.569,1207 3.255,1208 7.352,1209 3.287,1210 2.956,1211 2.986,1212 3.201,1213 2.839,1214 4.921,1215 2.827,1216 2.608,1217 2.612,1218 2.645,1219 2.42,1220 4.312,1221 2.444,1222 2.507,1223 2.54,1224 2.511,1225 2.114,1226 3.923,1227 2.189,1228 1.933,1229 1.986,1230 2.161,1231 1.542,1232 3.307,1233 1.532,1234 1.53,1235 1.682,1236 1.545,1237 1.199,1238 2.736,1239 1.176,1240 1.401,1241 1.504,1242 0.825,1243 0.989,1244 2.169,1245 0.924,1246 0.349,1247 0.3,1248 0.521,1249 0.323,1250 0.247,1251 4.543,1252 0.321,1253 3.895,1254 0.081,1255 6.771,1256 0.847,1257 4.199,1258 0.245,1259 3.208,1260 4.171,1261 1.058,1262 11.005,1263 3.18,1264 1.87,1265 1.855,1266 1.941,1267 1.939,1268 1.072,1269 1.947,1270 1.364,1271 1.364,1272 1.409,1273 1.648,1274 0.321,1275 1.574,1276 0.945,1277 0.896,1278 1.123,1279 1.165,1280 0.2,1281 1.152,1282 0.753,1283 0.727,1284 0.927,1285 0.905,1287 0.936,1290 0.391,1291 0.417,1293 0.378,1296 0.19,1297 0.299,1299 0.235,1305 0.093,1312 3.296,1314 4.635,1315 2.398,1316 6.18,1317 4.844,1318 7.816,1319 7.018,1320 9.497,1323 5.733,1329 2.395,1340 12.332,1341 30,1342 52.49,1343 59.245,1344 64,1345 64,1346 64,1347 19.423,1348 5.438,1349 49.93,1350 49.93,1351 11,1352 11.832,1353 3.17,1354 2.585,1355 16.936,1356 22,1357 15,1358 0.458,1359 81.205,1360 141.93,1361 189.9,1362 1084,1363 6.3,1364 8.715,1365 0.726,1366 0.557,1367 9.215,1368 6.682,1369 5.698,1370 0.438,1371 0.286,1372 3.327,1373 5.219,1374 3.245,1375 2.656,1376 5.987,1377 3.719,1378 5.308,1379 0.279,1380 0.15,1381 5.679,1382 2.853,1383 4.695,1384 0.181,1385 0.078,1386 5.053,1387 2.018,1388 3.652,1389 0.111,1390 0.041,1391 3.945,1392 1.355,1393 2.819,1394 0.076,1395 0.022,1396 3.121,1397 0.815,1398 0.632,1399 38.929,1400 0.348,1401 11.547,1402 1.534,1403 64,1404 248.007,1405 85.891,1406 266.138,1407 340.59,1408 244,1409 77,1410 216.389,1411 95.851,1412 227.656,1413 336.75,1414 214,1415 4}
{0 CHEMBL222292,1 1.953,2 4.769,3 1.999,4 3.997,5 48.304,6 13.501,7 0.429,8 2.969,9 3.009,10 3.004,11 2.683,12 4.349,13 2.698,14 3.425,15 3.463,16 3.477,17 3.08,18 4.913,19 3.087,20 3.636,21 3.685,22 3.784,23 3.12,24 5.439,25 3.112,26 3.395,27 3.469,28 3.308,29 2.801,30 4.973,31 2.762,32 2.977,33 3.037,34 2.984,35 2.128,36 4.934,37 2.156,38 1.871,39 1.903,40 2.195,41 0.894,42 4.198,43 1.036,56 0.152,57 0.196,58 0.942,59 0.846,60 19.364,61 0.643,62 0.264,63 0.3,64 1.939,65 1.458,66 33.624,67 1.2,68 0.474,69 0.333,70 8.831,71 2.482,72 71.187,73 1.935,74 0.381,75 0.247,76 8.094,77 2.204,78 51.419,79 1.593,80 0.347,81 0.139,82 6.91,83 1.782,84 51.176,85 1.178,86 0.148,87 0.033,88 2.058,89 0.663,90 22.853,91 0.431,104 17,105 21,106 0.438,107 0.757,108 0.841,109 0.897,110 0.897,111 0.897,112 2.673,113 0.901,114 -3.36,115 -3.34,116 -3.2,121 50,144 2,145 1,146 3,159 1,160 1,176 2,180 1,183 1,185 1,187 2,191 1,192 2,195 1,197 2,200 4,206 2,211 2,214 2,219 3,232 2,281 111,282 8.345,283 8.345,284 8.345,285 8.345,286 8.345,287 7.304,288 8.506,289 4.601,290 8.557,291 6.82,292 6.82,293 6.82,294 6.82,295 6.82,296 5.162,297 9.765,298 2.13,299 7.281,300 2.047,301 0.625,302 0.25,306 3.295,308 2,312 1,313 127,314 1.732,317 22.065,318 27.181,321 41.667,325 0.746,326 22.64,329 1,330 0.83,331 1,332 0.4,334 1,335 1,336 0.75,337 29.167,338 62,339 4.586,340 3.901,341 6.827,342 4.223,343 3.246,344 4.254,345 1.058,346 11.187,347 3.186,348 3.976,349 3.365,350 6.039,351 3.537,352 2.611,353 3.385,355 8.261,356 2.346,357 3.264,358 2.884,359 5.186,360 2.817,361 1.831,362 2.48,364 5.632,365 1.75,366 3.129,367 2.441,368 4.809,369 2.705,370 1.769,371 2.328,373 5.028,374 1.596,375 2.537,376 1.981,377 3.835,378 2.009,379 1.024,380 1.385,382 2.594,383 0.958,384 1.53,385 1.272,386 2.833,387 1.045,388 0.273,389 0.32,391 0.611,392 0.161,393 1.307,394 0.55,395 2.548,396 0.779,397 -0.192,398 -0.283,400 -0.443,401 -0.175,402 0.611,403 0.177,404 2.344,405 0.139,406 -0.829,407 -1.067,409 -2.147,410 -0.626,411 0.234,412 -0.396,413 1.751,414 -0.215,415 -1.183,416 -1.509,418 -2.96,419 -0.977,420 -0.101,421 -1.013,422 1.503,423 -0.523,424 -1.393,425 -1.783,427 -4.041,428 -1.112,429 -0.173,430 -1.114,431 1.262,432 -0.729,433 -1.447,434 -2,436 -4.063,437 -1.507,438 -0.5,439 -1.515,440 1.249,441 -0.805,442 -1.791,443 -2.191,445 -5.89,446 -1.746,447 -0.579,448 -1.814,449 1.088,450 -0.983,451 -1.918,452 -2.319,454 -6.319,455 -1.855,456 -0.82,457 -2,458 0.727,459 -1,460 -2,461 -3,462 -1.058,463 -7.45,464 -2,474 6.495,475 0.5,476 0.477,477 0.037,478 18,479 1.385,480 9.5,481 0.731,482 8.5,483 0.654,484 7.572,485 0.582,486 13.305,487 0.832,488 10.589,489 0.815,490 3.596,491 0.277,492 2.513,493 0.193,494 0.323,496 0.462,501 0.666,502 0.969,503 0.468,504 0.537,505 0.579,506 0.527,507 0.663,508 1.144,509 0.568,510 0.72,511 0.656,512 0.757,513 0.83,514 1.053,515 0.819,516 0.928,517 0.843,518 1.002,519 1.402,520 1.075,521 1.565,522 1.308,523 1.258,524 1.43,525 1.689,526 0.786,527 1.756,528 1.522,529 1.806,530 1.341,531 0.96,532 0.07,533 1.258,534 1.55,535 1.736,536 0.67,549 3,551 2.444,552 1.639,553 0.884,554 0.334,559 875,560 5000,561 1.948,562 18.8,564 2,567 1,572 1.492,573 1.733,574 2.356,575 -0.053,582 31.245,583 1.953,584 3.375,585 3.75,586 4,587 4,588 4,589 1.826,590 3.547,591 3.677,592 2.343,593 182.724,594 6.125,595 1335.32,597 1,600 64,601 1.526,602 3.574,603 0.214,605 0.116,606 0.078,607 0.068,608 0.048,613 0.524,614 1,615 1,616 0.808,617 45.457,618 -0.084,619 0.059,620 -0.017,621 0.082,622 -0.047,623 0.086,624 0.004,625 -0.167,626 -0.004,627 -0.035,628 -0.025,629 -0.076,630 0.115,631 -0.124,632 0.126,633 0.01,634 0.101,635 -0.068,636 -0.42,637 -0.175,638 -0.398,639 -0.256,640 -0.328,641 -0.333,642 -0.274,643 0.059,644 -0.285,645 -0.195,646 -0.267,647 -0.039,648 1.069,649 0.732,650 0.642,651 0.136,652 0.614,653 0.925,666 2.334,667 4.146,668 0.692,669 5.124,670 1.073,671 1.102,672 2.13,673 4.539,674 0.822,675 2.708,676 3.091,677 3.401,678 3.611,679 3.761,680 3.714,681 3.526,682 3.296,683 2.565,684 1.386,685 3.084,686 0.822,687 216.02,688 2.708,689 4.263,690 5.142,691 6.043,692 6.942,693 7.847,694 8.75,695 9.655,696 10.559,697 11.464,698 6.3,705 1,715 2,720 4,722 6,727 1,740 2,741 16,743 8,744 1,745 14,747 17,748 8,749 6,750 4,751 2,752 2,756 2,757 3,758 2,772 8,777 2,782 2,786 2,793 3,794 3,795 1,796 5,797 2,802 1,808 0.5,809 2,828 1,829 1,832 1,843 1,859 1,865 2,868 13,877 1,892 2,893 12.5,896 2,901 7.5,902 3.036,903 2.806,904 0.87,907 1.533,908 1.274,909 0.992,910 1.875,911 7.131,912 2.996,913 3.624,914 4.216,915 4.695,916 5.189,917 5.361,918 5.402,919 5.376,920 4.868,921 3.944,922 1,923 21,924 4.772,925 -0.003,926 2.152,927 0.026,929 8.479,931 8.437,932 -0.001,933 6.925,934 0.001,936 2.979,937 38.722,938 0.002,941 23.542,942 41.734,943 18.011,944 78.297,945 50.29,948 41.734,949 152.129,950 18.011,952 18.011,953 18.952,954 60.128,955 12.944,957 23.542,958 78.297,959 23.542,960 59.745,961 50.29,962 78.297,964 23.542,965 50.29,968 18.011,969 41.734,970 78.297,972 23.542,973 68.301,974 120.031,977 23.542,978 22.782,979 18.952,980 18.011,981 128.587,982 23.542,983 68.301,984 120.031,986 0.61,987 0.381,988 0.186,989 0.098,990 12,991 6,994 1,995 1.222,996 2.378,997 83.178,998 0.222,999 9,1000 48.106,1005 8.691,1006 2.805,1007 1.165,1009 68.301,1010 2.963,1015 1.109,1017 18.011,1018 211.874,1019 19,1024 22.078,1028 -1.243,1031 17.171,1032 17.636,1034 0.488,1035 0.844,1036 0.938,1037 1,1038 1,1039 1,1040 4.256,1041 -0.829,1042 5.187,1043 -0.443,1044 3.761,1045 4.304,1046 1.176,1047 6.075,1048 3.653,1049 5.51,1050 -1.183,1051 6.817,1052 -2.147,1053 3.611,1054 4.369,1056 7.13,1057 3.43,1058 6.86,1059 -1.393,1060 8.544,1061 -2.96,1062 5.442,1063 6.546,1064 1.255,1065 10.258,1066 5.278,1067 8.246,1068 -1.447,1069 10.322,1070 -4.041,1071 6.066,1072 7.369,1074 12.101,1075 5.85,1076 9.661,1077 -1.791,1078 12.132,1079 -4.063,1080 7.452,1081 9.098,1082 1.338,1083 14.776,1084 7.249,1085 11.097,1086 -1.918,1087 13.963,1088 -5.89,1089 8.398,1090 10.249,1092 16.944,1093 8.168,1094 12.55,1095 -2,1096 15.81,1097 -6.319,1098 9.635,1099 11.814,1100 1.422,1101 19.457,1102 9.407,1103 3.246,1105 17.669,1106 -7.45,1107 10.713,1108 13.115,1110 21.765,1111 10.469,1112 2.611,1113 11.187,1114 19.538,1116 11.901,1117 14.613,1118 1.51,1119 24.216,1120 11.652,1121 1.831,1122 8.261,1123 21.415,1124 4.254,1125 13.033,1126 15.986,1128 26.584,1129 12.772,1130 1.769,1131 5.632,1132 23.299,1133 3.385,1134 14.206,1135 17.454,1136 1.599,1137 29.012,1138 13.936,1139 1.024,1140 5.028,1141 25.188,1142 2.48,1143 15.361,1144 18.862,1146 31.405,1147 15.079,1148 0.273,1149 2.594,1150 27.081,1151 2.328,1152 16.532,1153 20.318,1154 1.69,1155 33.824,1156 16.238,1157 -0.192,1158 0.611,1159 28.978,1160 1.385,1161 17.697,1162 21.745,1164 36.229,1165 17.389,1166 964,1167 2345,1168 8.671,1169 13.153,1170 21.758,1171 24.214,1172 23.391,1173 21.53,1174 21.506,1175 28.304,1176 2.117,1177 66.624,1178 19.994,1179 5.407,1180 5.901,1181 6.1,1182 5.223,1183 5.246,1184 7.254,1185 2.117,1186 18.636,1187 5.186,1188 7.42,1189 1.554,1190 1.73,1191 1.671,1192 1.538,1193 1.536,1194 2.022,1195 0.151,1196 4.759,1197 1.428,1198 4.005,1199 4.016,1200 4.155,1201 3.93,1202 7.499,1203 3.934,1204 3.452,1205 3.452,1206 3.659,1207 3.282,1208 7.352,1209 3.31,1210 2.959,1211 2.985,1212 3.394,1213 2.844,1214 5.027,1215 2.831,1216 2.624,1217 2.609,1218 3.041,1219 2.475,1220 4.492,1221 2.488,1222 2.519,1223 2.539,1224 2.61,1225 2.126,1226 4.246,1227 2.202,1228 1.944,1229 1.985,1230 2.408,1231 1.655,1232 3.805,1233 1.599,1234 1.634,1235 1.664,1236 1.813,1237 1.339,1238 2.92,1239 1.331,1240 1.407,1241 1.502,1242 1.518,1243 1.055,1244 2.642,1245 1.006,1246 0.328,1247 0.279,1248 0.488,1249 0.302,1250 0.232,1251 4.586,1252 0.304,1253 3.901,1254 0.076,1255 6.827,1256 0.799,1257 4.223,1258 0.228,1259 3.246,1260 4.254,1261 1.058,1262 11.187,1263 3.186,1264 1.864,1265 1.856,1266 1.896,1267 1.921,1268 1.07,1269 1.927,1270 1.363,1271 1.364,1272 1.402,1273 1.647,1274 0.31,1275 1.573,1276 0.933,1277 0.898,1278 1.065,1279 1.134,1280 0.15,1281 1.119,1282 0.742,1283 0.729,1284 0.788,1285 0.862,1287 0.887,1290 0.381,1291 0.394,1293 0.37,1296 0.039,1297 0.299,1299 0.225,1312 3.367,1314 4.727,1315 2.398,1316 6.29,1317 4.844,1318 7.941,1319 7.018,1320 9.638,1323 11.464,1329 2.351,1340 13.16,1341 31.245,1342 54,1343 60,1344 64,1345 64,1346 64,1347 24.278,1348 5.598,1349 49.93,1350 49.93,1351 11,1352 11.983,1353 3.17,1354 2.585,1355 18.985,1356 25,1357 19,1358 0.441,1359 89.538,1360 157.14,1361 210.233,1362 1314,1363 12.5,1364 9.585,1365 0.737,1366 0.595,1367 10.585,1368 7.739,1369 6.109,1370 0.436,1371 0.3,1372 3.462,1373 5.371,1374 3.346,1375 2.716,1376 6.686,1377 4.203,1378 5.814,1379 0.277,1380 0.16,1381 6.518,1382 3.352,1383 5.295,1384 0.183,1385 0.089,1386 6.284,1387 2.589,1388 3.852,1389 0.107,1390 0.042,1391 4.334,1392 1.524,1393 2.986,1394 0.071,1395 0.023,1396 3.484,1397 0.965,1398 0.616,1399 44.568,1400 0.34,1401 12.52,1402 1.451,1403 70,1404 282.211,1405 107.411,1406 328.259,1407 412.64,1408 300,1409 85,1410 244.252,1411 121.322,1412 265.445,1413 394.72,1414 249,1415 4}
{0 CHEMBL222644,1 1.29,2 12.739,3 5.855,4 34.278,5 94.272,6 6.067,7 0.25,8 3.979,9 4.116,10 3.354,11 3.521,12 4.894,13 3.445,14 4.582,15 4.795,16 3.637,17 3.909,18 5.424,19 3.785,20 4.89,21 5.172,22 3.706,23 4.008,24 5.808,25 3.853,26 4.861,27 5.143,28 3.558,29 3.954,30 5.687,31 3.784,32 4.815,33 5.097,34 3.393,35 3.853,36 5.683,37 3.67,38 4.713,39 5.008,40 3.187,41 3.754,42 5.456,43 3.543,44 4.616,45 4.916,46 3.115,47 3.672,48 5.312,49 3.46,50 4.53,51 4.826,52 3.052,53 3.59,54 5.25,55 3.384,56 0.046,57 0.695,58 12.494,59 5.444,60 4.732,61 7.647,62 0.172,63 1.143,64 22.552,65 8.977,66 13.099,67 12.993,68 0.366,69 1.369,70 30.175,71 11.2,72 55.086,73 16.43,74 0.232,75 1.31,76 29.145,77 10.824,78 34.608,79 15.792,80 0.279,81 1.199,82 27.98,83 10.095,84 44.459,85 14.584,86 0.236,87 1.085,88 24.87,89 9.293,90 33.246,91 13.495,92 0.186,93 0.997,94 22.393,95 8.538,96 24.435,97 12.461,98 0.176,99 0.915,100 20.605,101 7.79,102 23.416,103 11.365,104 21,105 30,106 0.22,107 0.424,108 0.556,109 0.67,110 0.757,111 0.826,112 3.186,113 1.151,114 -6.29,115 -6.13,116 -5.69,121 38.5,122 1,123 10,127 1,144 4,145 1,146 1,159 1,160 1,176 14,179 1,180 4,187 13,191 2,192 5,200 10,206 7,214 9,219 6,227 10,232 3,239 10,244 3,251 9,256 3,264 8,269 3,277 7,281 816,282 15.839,283 15.839,284 15.839,285 15.839,286 15.839,287 14.953,288 10.204,289 10.16,290 15.895,291 11.828,292 11.828,293 11.828,294 11.828,295 11.828,296 10.365,297 13.429,298 4.836,299 11.894,300 4.41,301 3.218,302 2.446,303 1.774,304 1.265,305 0.861,306 3.854,312 1,313 607,314 3.674,317 55.893,318 68.01,321 104.333,325 1.97,326 20.35,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 48.5,338 293,339 4.583,340 3.977,341 6.967,342 4.29,343 3.302,344 4.128,345 1.2,346 11.717,347 3.265,348 3.606,349 2.981,350 5.632,351 3.182,352 2.192,353 2.966,354 0.293,355 7.034,356 2.185,357 3.363,358 2.768,359 5.537,360 3.116,361 2.104,362 2.493,364 6.6,365 2.091,366 2.934,367 1.988,368 3.955,369 2.925,370 1.926,371 1.97,373 3.861,374 1.923,375 2.843,376 1.899,377 3.843,378 2.728,379 1.729,380 1.936,382 3.472,383 1.727,384 2.752,385 1.708,386 3.665,387 2.44,388 1.441,389 1.756,391 2.973,392 1.44,393 2.515,394 1.44,395 3.64,396 2.36,397 1.354,398 1.51,400 2.904,401 1.359,402 2.388,403 1.32,404 3.414,405 2.107,406 1.111,407 1.307,409 2.388,410 1.106,411 2.136,412 1.174,413 3.143,414 1.892,415 0.883,416 1.035,418 1.848,419 0.887,420 1.833,421 0.91,422 2.838,423 1.621,424 0.597,425 0.666,427 1.153,428 0.607,429 1.469,430 0.519,431 2.518,432 1.288,433 0.249,434 0.292,436 0.482,437 0.256,438 1.06,439 0.085,440 2.335,441 0.951,442 -0.075,443 -0.085,445 -0.141,446 -0.076,447 0.807,448 -0.019,449 2.102,450 0.572,451 -0.432,452 -0.476,454 -0.833,455 -0.432,456 0.607,457 -0.341,458 2,459 0.335,460 -0.676,461 -0.799,463 -1.469,464 -0.677,465 0.488,466 -0.722,467 1.667,468 0.125,469 -0.876,470 -1.036,472 -1.892,473 -0.876,474 11.067,475 0.481,476 0.333,477 0.014,478 22.75,479 0.989,480 9.5,481 0.413,482 13.25,483 0.576,484 22.874,485 0.995,486 26.733,487 0.514,488 13.291,489 0.578,490 3.54,491 0.154,492 7.713,493 0.335,494 0.105,496 0.217,501 0.579,502 1.389,503 1.001,504 1.269,505 0.488,506 1.19,507 0.579,508 1.297,509 1.028,510 1.228,511 0.495,512 1.178,513 0.556,514 0.955,515 0.778,516 0.923,517 0.509,518 0.877,519 0.901,520 1,521 0.924,522 0.992,523 0.817,524 0.961,525 1.297,526 0.958,527 1.043,528 0.975,529 1.312,530 0.983,531 1.057,532 0.925,533 1.022,534 0.949,535 1.079,536 0.98,537 0.812,538 0.937,539 0.955,540 0.957,541 0.8,542 0.969,543 0.877,544 0.941,545 0.969,546 0.958,547 0.871,548 0.971,549 2,550 0.074,551 2,552 1.986,553 0.622,554 0.424,555 0.198,556 0.147,557 0.113,558 0.09,559 6329,560 11878,561 1.995,562 55.8,563 21,564 6,569 2,572 1.646,573 1.89,574 3.548,575 -0.858,582 67.103,583 1.29,584 2.483,585 3.254,586 3.926,587 4.436,588 4.84,589 3.029,590 4.35,591 4.488,592 3.773,593 954.63,594 7.676,595 11959,600 296.423,601 1.264,602 4.465,603 0.083,604 0.006,605 0.067,606 0.064,607 0.024,608 0.02,609 0.012,610 0.009,611 0.008,612 0.006,613 0.299,614 0.5,615 0.75,616 2.743,617 112.353,618 0.017,619 -0.104,620 0.034,621 -0.03,622 0.017,623 -0.004,624 0.112,625 -0.151,626 -0.029,627 -0.131,628 0.059,629 -0.101,630 0.29,631 0.033,632 0.192,633 0.053,634 0.268,635 0.105,636 0.012,637 -0.022,638 0.049,639 -0.02,640 0.06,641 0.016,642 -0.085,643 -0.014,644 -0.047,645 -0.025,646 -0.043,647 -0.03,648 -0.086,649 0.009,650 -0.059,651 0.004,652 -0.084,653 -0.021,654 -0.03,655 0.003,656 -0.011,657 0.002,658 -0.036,659 -0.002,660 -0.04,661 0.003,662 -0.017,663 0.001,664 -0.048,665 -0.005,666 2.026,667 5.03,668 0.391,669 24.106,670 0.983,671 1.129,672 5.06,673 25.608,674 0.626,675 3.219,676 3.434,677 3.689,678 3.912,679 4.043,680 3.989,681 3.989,682 3.97,683 3.761,684 3.664,685 7.333,686 0.574,687 315.5,688 3.219,689 4.691,690 5.509,691 6.351,692 7.206,693 8.072,694 8.948,695 9.831,696 10.719,697 11.612,698 1.9,705 1,715 4,720 2,722 6,727 1,741 52,743 8,744 1,745 24,747 53,748 20,749 6,750 2,751 4,752 2,756 2,757 3,763 1,770 10,772 8,773 12,777 2,782 2,786 2,793 29,794 3,796 3,802 1,808 0.5,809 2,828 1,829 1,832 1,844 1,859 1,864 1,868 23,876 11,881 1,893 3.8,896 2,901 12.167,902 9.367,903 5.472,904 3.971,907 1.361,908 1.208,909 0.929,910 7.48,911 7.899,912 3.401,913 3.795,914 4.301,915 4.753,916 5.182,917 5.247,918 5.455,919 5.567,920 5.335,921 5.171,922 1,923 31,924 8.622,926 3.54,927 0.026,929 7.638,931 17.078,933 13.898,936 2.138,937 49.167,938 0.001,941 341.362,942 89.962,943 3.124,945 50.29,948 89.962,949 391.652,950 3.124,951 8.825,952 30.575,953 37.905,954 60.128,955 5.942,957 341.362,959 341.362,960 93.086,961 50.29,964 317.82,965 73.832,968 39.401,969 53.685,972 341.362,973 53.414,974 89.962,977 341.362,978 43.231,979 49.855,981 50.29,982 341.362,983 53.414,984 89.962,986 0.543,987 0.316,988 0.172,989 0.09,990 11,991 5,992 0.208,993 11,994 1,995 1.222,996 3.71,997 159.286,998 0.222,999 9,1000 104.042,1005 17.88,1006 9.622,1007 5.006,1009 53.414,1010 7.312,1015 1.35,1018 484.738,1019 29,1024 23.928,1028 -0.713,1031 51.127,1032 58.73,1034 0.226,1035 0.436,1036 0.571,1037 0.689,1038 0.778,1039 0.849,1040 4.59,1041 1.111,1042 5.434,1043 2.904,1044 4.111,1045 4.477,1046 1.356,1047 6.209,1048 4.101,1049 5.701,1050 0.883,1051 6.963,1052 2.388,1053 3.434,1054 4.06,1055 0.325,1056 7.13,1057 3.416,1058 6.956,1059 0.597,1060 8.621,1061 1.848,1062 5.624,1063 6.468,1064 1.511,1065 10.337,1066 5.592,1067 8.262,1068 0.249,1069 10.362,1070 1.153,1071 5.969,1072 7.052,1073 0.653,1074 12.241,1075 5.925,1076 9.622,1077 -0.075,1078 12.158,1079 0.482,1080 7.532,1081 8.881,1082 1.739,1083 14.947,1084 7.473,1085 11.022,1086 -0.432,1087 13.992,1088 -0.141,1089 8.379,1090 9.917,1091 1.001,1092 17.207,1093 8.308,1094 12.452,1095 -0.676,1096 15.851,1097 -0.833,1098 9.701,1099 11.521,1100 1.993,1101 19.753,1102 9.616,1103 3.302,1104 -0.876,1105 17.728,1106 -1.469,1107 10.765,1108 12.757,1109 1.37,1110 22.142,1111 10.668,1112 2.192,1113 11.717,1114 19.619,1115 -1.892,1116 12.001,1117 14.266,1118 2.264,1119 24.634,1120 11.892,1121 2.104,1122 7.034,1123 21.521,1124 4.128,1125 13.148,1126 15.594,1127 1.754,1128 27.069,1129 13.027,1130 1.926,1131 6.6,1132 23.43,1133 2.966,1134 14.356,1135 17.058,1136 2.551,1137 29.541,1138 14.223,1139 1.729,1140 3.861,1141 25.345,1142 2.493,1143 15.533,1144 18.43,1145 2.143,1146 31.993,1147 15.389,1148 1.441,1149 3.472,1150 27.265,1151 1.97,1152 16.732,1153 19.872,1154 2.851,1155 34.458,1156 16.576,1157 1.354,1158 2.973,1159 29.189,1160 1.936,1161 17.92,1162 21.266,1163 2.535,1164 36.915,1165 17.753,1166 6424,1167 9163,1168 15.89,1169 32.574,1170 34.26,1171 35.867,1172 35.302,1173 33.81,1174 33.775,1175 40.118,1176 2.986,1177 88.866,1178 33.694,1179 5.561,1180 5.977,1181 6.951,1182 5.303,1183 5.302,1184 7.128,1185 2.293,1186 18.898,1187 5.265,1188 10.863,1189 1.428,1190 1.494,1191 1.471,1192 1.409,1193 1.407,1194 1.672,1195 0.124,1196 3.703,1197 1.404,1198 4.023,1199 4.047,1200 3.985,1201 3.924,1202 7.497,1203 3.933,1204 3.813,1205 3.876,1206 3.649,1207 3.699,1208 7.352,1209 3.678,1210 3.686,1211 3.754,1212 3.515,1213 3.561,1214 4.714,1215 3.54,1216 3.535,1217 3.605,1218 3.403,1219 3.388,1220 4.246,1221 3.375,1222 3.423,1223 3.464,1224 3.288,1225 3.248,1226 4.142,1227 3.26,1228 3.268,1229 3.334,1230 3.069,1231 3.096,1232 4.003,1233 3.079,1234 3.046,1235 3.133,1236 2.851,1237 2.856,1238 3.823,1239 2.84,1240 2.88,1241 2.959,1242 2.677,1243 2.724,1244 3.624,1245 2.703,1246 0.191,1247 0.166,1248 0.29,1249 0.179,1250 0.138,1251 4.583,1252 0.172,1253 3.977,1254 0.05,1255 6.967,1256 0.488,1257 4.29,1258 0.136,1259 3.302,1260 4.128,1261 1.2,1262 11.717,1263 3.265,1264 1.885,1265 1.86,1266 2.075,1267 1.992,1268 1.438,1269 2.021,1270 1.824,1271 1.764,1272 2.003,1273 1.959,1274 1.329,1275 1.977,1276 1.722,1277 1.659,1278 1.968,1279 1.887,1280 1.169,1281 1.919,1282 1.57,1283 1.506,1284 1.847,1285 1.769,1286 1.075,1287 1.793,1288 1.403,1289 1.36,1290 1.675,1291 1.632,1292 0.942,1293 1.637,1294 1.26,1295 1.205,1296 1.489,1297 1.485,1298 0.724,1299 1.491,1300 1.076,1301 0.996,1302 1.35,1303 1.312,1304 0.509,1305 1.345,1306 0.899,1307 0.823,1308 1.241,1309 1.138,1310 0.336,1311 1.176,1312 3.892,1314 5.13,1315 2.398,1316 6.572,1317 4.949,1318 8.127,1319 7.195,1320 9.754,1322 2.247,1328 13.387,1333 1.655,1340 29.826,1341 67.103,1342 129.107,1343 169.229,1344 204.158,1345 230.648,1346 251.668,1347 55.99,1348 6.538,1349 39.07,1350 39.07,1351 11,1352 12.141,1353 3.17,1354 2.585,1355 46.035,1356 100,1357 121,1358 0.22,1359 187.98,1360 334.32,1361 450.432,1362 5812,1364 16.493,1365 0.717,1366 0.624,1367 16.493,1368 14.351,1369 11.253,1370 0.469,1371 0.384,1372 9.153,1373 11.035,1374 8.944,1375 7.546,1376 11.253,1377 9.206,1378 8.965,1379 0.299,1380 0.216,1381 8.965,1382 6.485,1383 7.496,1384 0.192,1385 0.118,1386 7.496,1387 4.614,1388 5.887,1389 0.12,1390 0.066,1391 5.887,1392 3.228,1393 4.509,1394 0.081,1395 0.039,1396 4.509,1397 2.165,1398 0.365,1399 69.211,1400 0.251,1401 23.614,1402 0.551,1403 108,1404 269.116,1405 115.066,1406 259.812,1407 349.54,1408 242,1409 123,1410 249.794,1411 131.147,1412 252.451,1413 372.47,1414 239,1415 4}
{0 CHEMBL222660,1 1.675,2 5.385,3 0.654,4 0.428,5 45.157,6 8.859,7 0.429,8 3.152,9 3.228,10 2.849,11 2.68,12 4.45,13 2.718,14 3.627,15 3.735,16 3.209,17 3.017,18 4.966,19 3.057,20 3.727,21 3.828,22 3.226,23 3.012,24 5.349,25 3.05,26 3.635,27 3.791,28 2.836,29 2.817,30 4.959,31 2.795,32 3.489,33 3.7,34 2.557,35 2.392,36 4.901,37 2.374,38 2.907,39 3.089,40 1.965,41 1.876,42 4.361,43 1.846,44 2.574,45 2.779,46 1.194,47 1.438,48 3.922,49 1.369,50 2.003,51 2.278,52 0.306,53 0.67,54 3.219,55 0.573,56 0.095,57 0.275,58 2.709,59 1.724,60 8.722,61 1.686,62 0.255,63 0.418,64 5.949,65 2.785,66 23.861,67 2.821,68 0.354,69 0.441,70 6.492,71 3.004,72 51.86,73 2.946,74 0.255,75 0.395,76 6.717,77 2.913,78 27.861,79 3.138,80 0.364,81 0.296,82 8.094,83 2.542,84 45.194,85 3.21,86 0.232,87 0.165,88 4.167,89 1.299,90 27.806,91 1.499,92 0.142,93 0.123,94 2.849,95 0.715,96 20.833,97 0.664,98 0.11,99 0.048,100 2.447,101 0.48,102 21,103 0.574,104 11,105 20,106 0.356,107 0.746,108 0.818,109 0.869,110 0.869,111 0.869,112 2.671,113 0.805,114 -1.98,115 -2.03,116 -2.03,121 45,126 1,144 3,145 1,146 2,159 1,160 1,176 2,180 3,183 1,185 2,187 2,191 1,192 4,195 1,197 2,200 2,206 3,218 1,219 2,222 1,231 1,281 122,282 8.663,283 8.663,284 8.663,285 8.663,286 8.663,287 7.755,288 12.32,289 4.923,290 8.847,291 6.806,292 6.806,293 6.806,294 6.806,295 6.806,296 5.225,297 16.3,298 2.24,299 6.974,300 2.647,301 0.813,302 0.475,303 0.238,304 0.238,305 0.238,306 3.302,311 1,312 1,313 145,314 1.871,317 23.135,318 27.404,321 42.612,325 0.876,326 19.116,329 1,330 0.83,331 0.83,332 0.4,334 1,335 1,336 0.72,337 29.5,338 70,339 4.501,340 3.885,341 6.664,342 4.17,343 3.166,344 4.11,345 1.058,346 10.646,347 3.177,348 3.798,349 2.956,350 5.475,351 3.393,352 2.423,353 3.191,354 0.86,355 6.979,356 2.349,357 3.346,358 2.801,359 5.164,360 2.942,361 1.956,362 2.595,364 5.987,365 1.904,366 3.027,367 2.455,368 4.715,369 2.639,370 1.638,371 2.136,373 4.775,374 1.629,375 2.379,376 1.364,377 3.478,378 1.839,379 0.823,380 1.176,382 1.978,383 0.826,384 1.74,385 1.143,386 2.854,387 1.403,388 0.5,389 0.584,391 0.806,392 0.442,393 1.213,394 0.591,395 2.39,396 0.817,397 -0.196,398 -0.271,400 -0.391,401 -0.196,402 0.701,403 0.031,404 2.276,405 0.232,406 -0.789,407 -1.053,409 -1.992,410 -0.79,411 0.551,412 -0.46,413 2,414 0.115,415 -0.868,416 -1.191,418 -2.405,419 -0.845,420 0.124,421 -0.902,422 1.424,423 -0.262,424 -1.331,425 -1.756,427 -3.513,428 -1.339,429 -0.481,430 -1.197,431 1.265,432 -0.708,433 -1.608,434 -2,436 -4.314,437 -1.543,438 -0.5,439 -1.532,440 1.099,441 -0.799,442 -1.787,443 -2.203,445 -5.391,446 -1.751,447 -0.581,448 -1.814,449 0.744,450 -0.981,451 -1.925,452 -2.318,453 -0.86,454 -6.292,455 -1.865,456 -0.817,457 -2,458 0.453,459 -1,460 -2,461 -3,462 -1.058,463 -6.875,464 -2,474 5.9,475 0.454,476 0.366,477 0.028,478 18.5,479 1.423,480 10,481 0.769,482 8.5,483 0.654,484 6.147,485 0.473,486 13.9,487 0.695,488 11.282,489 0.868,490 3.906,491 0.3,492 2.314,493 0.178,494 0.198,496 0.424,501 0.721,502 1.167,503 0.625,504 1.017,505 0.552,506 0.831,507 0.905,508 0.974,509 0.693,510 0.824,511 0.638,512 0.721,513 0.941,514 1.093,515 0.925,516 1.078,517 0.843,518 1.019,519 0.998,520 1.207,521 1.182,522 1.306,523 0.948,524 1.307,525 0.863,526 0.821,527 0.883,528 0.942,529 1.117,530 0.94,531 1.035,532 0.972,533 1.204,534 0.96,535 1.183,536 1.109,537 1.782,538 0.866,539 2.074,540 1.027,541 2.062,542 1.448,543 2.054,545 1.524,546 0.015,547 2.874,548 0.451,549 3,551 1.778,552 1.326,553 0.608,554 0.396,555 0.096,559 935,560 3632,561 1.992,562 35,564 6,567 1,572 1.488,573 1.814,574 2.489,575 -0.127,579 1,582 33.503,583 1.675,584 3.509,585 3.846,586 4.084,587 4.084,588 4.084,589 1.95,590 3.085,591 3.673,592 2.497,593 194.79,594 6.102,595 1403.55,597 1,600 86.439,601 1.549,602 3.601,603 0.214,605 0.089,606 0.07,607 0.051,608 0.05,609 0.024,613 0.497,614 0.83,615 1,616 1.057,617 46.118,618 -0.088,619 -0.078,620 0.018,621 -0.044,622 -0.067,623 0.016,624 -0.075,625 0.047,626 0.106,627 0.144,628 -0.016,629 0.173,630 0.03,631 -0.102,632 -0.096,633 -0.136,634 0.141,635 -0.159,636 -0.157,637 -0.273,638 -0.262,639 -0.355,640 -0.116,641 -0.345,642 0.22,643 -0.003,644 0.32,645 0.018,646 0.022,647 0.152,648 0.13,649 -0.128,650 -0.057,651 -0.024,652 0.009,653 -0.094,654 -0.606,655 0.132,656 -0.95,657 -0.21,658 -0.518,659 -0.548,660 -0.54,661 0.677,662 0.079,663 0.939,664 -0.719,665 0.783,666 2.247,667 4.197,668 0.692,669 5.763,670 1.037,671 1.119,672 0.751,673 0.564,674 0.683,675 2.708,676 3.045,677 3.332,678 3.555,679 3.714,680 3.638,681 3.584,682 3.466,683 2.639,684 1.386,685 3.301,686 0.687,687 177.17,688 2.708,689 4.234,690 5.094,691 5.979,692 6.862,693 7.752,694 8.641,695 9.533,696 10.424,697 11.316,698 5,705 1,715 3,720 3,722 6,727 1,739 1,741 20,743 8,744 1,745 14,747 21,748 9,749 6,750 3,751 3,752 2,756 2,757 3,772 8,773 1,777 2,782 2,786 2,793 7,794 4,795 1,796 4,802 1,808 0.5,809 3,828 1,829 1,832 1,843 1,859 1,864 1,868 13,877 1,878 1,893 15,896 2,898 1,901 7.167,902 4,903 2.917,904 1.049,907 1.518,908 1.271,909 0.964,910 1.725,911 7.109,912 2.996,913 3.57,914 4.147,915 4.638,916 5.144,917 5.255,918 5.432,919 5.486,920 4.808,921 3.726,922 0.75,923 19,924 4.78,925 -0.003,926 2.072,927 0.026,929 8.295,931 8.624,932 -0.001,933 6.848,934 0.001,936 2.795,937 36.333,938 0.003,941 70.627,942 60.336,943 18.011,945 61.29,948 60.336,949 131.916,950 18.011,951 10.883,952 18.011,953 28.429,954 60.128,955 22.186,957 70.627,959 70.627,960 78.346,961 61.29,964 70.627,965 61.29,968 18.011,969 60.336,972 70.627,973 79.3,974 60.336,977 70.627,978 21.024,979 39.312,980 18.011,981 61.29,982 70.627,983 79.3,984 60.336,986 0.587,987 0.363,988 0.186,989 0.101,990 11,991 5,992 0.048,993 1,994 1,995 1.222,996 2.454,997 80.87,998 0.222,999 9,1000 48.106,1005 8.108,1006 2.765,1007 1.165,1009 79.3,1010 4.893,1015 1.503,1017 18.011,1018 210.263,1019 19,1024 22.126,1028 -1.086,1031 20.735,1032 22.372,1034 0.388,1035 0.812,1036 0.89,1037 0.945,1038 0.945,1039 0.945,1040 4.227,1041 -0.789,1042 5.106,1043 -0.391,1044 3.714,1045 4.248,1046 1.552,1047 5.948,1048 3.685,1049 5.448,1050 -0.868,1051 6.696,1052 -1.992,1053 3.434,1054 4.182,1056 6.911,1057 3.43,1058 6.772,1059 -1.331,1060 8.383,1061 -2.405,1062 5.342,1063 6.43,1064 1.527,1065 10.009,1066 5.305,1067 8.134,1068 -1.608,1069 10.124,1070 -3.513,1071 5.861,1072 7.134,1074 11.787,1075 5.853,1076 9.526,1077 -1.787,1078 11.899,1079 -4.314,1080 7.284,1081 8.905,1082 1.53,1083 14.42,1084 7.258,1085 10.94,1086 -1.925,1087 13.698,1088 -5.391,1089 8.161,1090 9.961,1092 16.547,1093 8.16,1094 12.371,1095 -2,1096 15.515,1097 -6.292,1098 9.405,1099 11.541,1100 1.557,1101 19.013,1102 9.398,1103 3.166,1105 17.347,1106 -6.875,1107 10.44,1108 12.769,1110 21.284,1111 10.451,1112 2.423,1113 10.646,1114 19.191,1116 11.62,1117 14.264,1118 1.603,1119 23.688,1120 11.631,1121 1.956,1122 6.979,1123 21.045,1124 4.11,1125 12.721,1126 15.58,1128 26.017,1129 12.745,1130 1.638,1131 5.987,1132 22.906,1133 3.191,1134 13.88,1135 17.034,1136 1.663,1137 28.397,1138 13.907,1139 0.823,1140 4.775,1141 24.775,1142 2.595,1143 15.01,1144 18.395,1146 30.747,1147 15.045,1148 0.5,1149 1.978,1150 26.649,1151 2.136,1152 16.162,1153 19.829,1154 1.734,1155 33.118,1156 16.202,1157 -0.196,1158 0.806,1159 28.527,1160 1.176,1161 17.304,1162 21.214,1164 35.478,1165 17.35,1166 1014,1167 2057,1168 8.959,1169 13.653,1170 21.296,1171 23.069,1172 22.418,1173 20.944,1174 21.01,1175 27.583,1176 3.837,1177 62.341,1178 20.655,1179 5.318,1180 5.885,1181 6.211,1182 5.17,1183 5.166,1184 7.11,1185 2.117,1186 17.521,1187 5.177,1188 6.647,1189 1.521,1190 1.648,1191 1.601,1192 1.496,1193 1.501,1194 1.97,1195 0.274,1196 4.453,1197 1.475,1198 4.004,1199 4.02,1200 3.973,1201 3.905,1202 7.499,1203 3.918,1204 3.488,1205 3.499,1206 3.44,1207 3.263,1208 7.352,1209 3.305,1210 3.175,1211 3.239,1212 2.998,1213 2.918,1214 4.849,1215 2.923,1216 2.905,1217 2.963,1218 2.791,1219 2.72,1220 4.39,1221 2.718,1222 2.56,1223 2.575,1224 2.472,1225 2.377,1226 3.761,1227 2.398,1228 2.493,1229 2.525,1230 2.378,1231 2.088,1232 3.599,1233 2.166,1234 1.899,1235 1.977,1236 1.671,1237 1.368,1238 3.022,1239 1.425,1240 1.515,1241 1.618,1242 1.177,1243 0.995,1244 2.576,1245 1.001,1246 0.322,1247 0.277,1248 0.476,1249 0.298,1250 0.226,1251 4.501,1252 0.294,1253 3.885,1254 0.076,1255 6.664,1256 0.76,1257 4.17,1258 0.227,1259 3.166,1260 4.11,1261 1.058,1262 10.646,1263 3.177,1264 1.871,1265 1.855,1266 1.956,1267 1.966,1268 1.076,1269 1.962,1270 1.367,1271 1.364,1272 1.567,1273 1.651,1274 0.574,1275 1.579,1276 1.202,1277 1.134,1278 1.426,1279 1.516,1280 0.347,1281 1.529,1282 0.867,1283 0.808,1284 1.081,1285 1.104,1286 0.133,1287 1.096,1288 0.74,1289 0.686,1290 0.973,1291 0.94,1293 0.963,1296 0.46,1297 0.423,1299 0.407,1302 0.073,1303 0.313,1305 0.229,1312 3.367,1314 4.691,1315 2.398,1316 6.221,1317 4.844,1318 7.837,1319 7.002,1320 9.501,1322 1.51,1329 2.454,1330 4.932,1340 13.746,1341 33.503,1342 70.174,1343 76.929,1344 81.684,1345 81.684,1346 81.684,1347 20.12,1348 5.591,1349 59.16,1350 59.16,1351 11,1352 11.844,1353 3.17,1354 2.585,1355 19.085,1356 26,1357 26,1358 0.41,1359 86.461,1360 152.81,1361 202.724,1362 1333,1364 9.422,1365 0.725,1366 0.535,1367 9.422,1368 6.957,1369 6.22,1370 0.444,1371 0.268,1372 3.672,1373 5.872,1374 3.579,1375 2.973,1376 6.22,1377 3.759,1378 5.583,1379 0.279,1380 0.135,1381 5.583,1382 2.695,1383 4.982,1384 0.185,1385 0.071,1386 4.982,1387 1.926,1388 3.781,1389 0.111,1390 0.037,1391 3.781,1392 1.249,1393 2.987,1394 0.075,1395 0.019,1396 2.987,1397 0.772,1398 0.586,1399 39.996,1400 0.334,1401 12.752,1402 1.287,1403 68,1404 269.539,1405 77.25,1406 250.484,1407 328.97,1408 232,1409 81,1410 229.072,1411 90.307,1412 230.817,1413 337.37,1414 215,1415 4}
{0 CHEMBL222711,1 1.479,2 9.522,3 3.224,4 10.397,5 89.133,6 8.172,7 0.654,8 3.733,9 3.831,10 3.391,11 3.375,12 4.907,13 3.362,14 4.227,15 4.357,16 3.765,17 3.77,18 5.394,19 3.743,20 4.482,21 4.651,22 3.841,23 3.865,24 5.756,25 3.819,26 4.488,27 4.683,28 3.634,29 3.749,30 5.651,31 3.671,32 4.402,33 4.626,34 3.424,35 3.54,36 5.582,37 3.464,38 4.152,39 4.37,40 3.272,41 3.404,42 5.26,43 3.333,44 4.047,45 4.238,46 3.293,47 3.403,48 5.21,49 3.341,50 3.996,51 4.178,52 3.246,53 3.361,54 5.195,55 3.301,56 0.02,57 0.49,58 5.902,59 3.08,60 5.312,61 3.65,62 0.132,63 0.83,64 10.802,65 5.083,66 10.212,67 6.137,68 0.25,69 1.035,70 16.352,71 7.047,72 46.47,73 8.829,74 0.199,75 1.043,76 17.564,77 7.273,78 36.132,79 9.055,80 0.317,81 0.951,82 18.338,83 6.657,84 54.172,85 8.078,86 0.189,87 0.744,88 13.759,89 5.212,90 34.135,91 6.45,92 0.117,93 0.648,94 11.437,95 4.823,96 23.075,97 5.978,98 0.123,99 0.599,100 10.834,101 4.646,102 25.344,103 5.623,104 5,105 37,106 0.261,107 0.519,108 0.649,109 0.822,110 0.882,111 0.902,112 3.189,113 0.856,114 -4.63,115 -4.55,116 -4.28,121 51.4,128 1,144 11,145 3,146 2,159 1,160 1,176 13,179 1,180 3,183 1,185 2,187 16,191 2,192 4,197 2,200 12,206 7,209 1,211 4,214 4,219 5,222 1,224 4,227 1,232 4,237 2,239 4,244 6,251 8,256 5,264 10,269 4,277 10,281 644,282 15.845,283 15.845,284 15.845,285 15.845,286 15.845,287 13.692,288 14.279,289 9.284,290 15.961,291 12.817,292 12.817,293 12.817,294 12.817,295 12.817,296 9.483,297 21.606,298 4.385,299 12.977,300 3.73,301 2.273,302 1.535,303 0.561,304 0.216,305 0.108,306 3.89,310 1,311 1,312 1,313 489,314 2.449,317 44.579,318 165.011,321 84.935,322 92.319,325 1.323,326 21.976,327 1,328 1,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 49,338 219,339 4.584,340 3.979,341 6.968,342 4.29,343 3.303,344 4.336,345 1.219,346 11.718,347 3.264,348 4.405,349 3.002,350 6.183,351 3.918,352 2.922,353 4.128,354 0.557,355 9.226,356 2.91,357 3.658,358 2.937,359 5.637,360 3.29,361 2.325,362 3.06,363 0.21,364 7.106,365 2.239,366 3.601,367 2.773,368 5.538,369 3.166,370 2.149,371 2.963,373 6.634,374 2.18,375 3.336,376 2.426,377 5.246,378 3.044,379 2.058,380 2.479,382 6.548,383 2.009,384 3.118,385 1.89,386 4.415,387 2.618,388 1.618,389 2.427,391 4.368,392 1.618,393 2.9,394 1.618,395 3.795,396 2.414,397 1.418,398 2.092,400 3.038,401 1.412,402 2.842,403 1.438,404 3.641,405 2.361,406 1.354,407 1.97,409 2.96,410 1.36,411 2.463,412 1.329,413 3.617,414 2.043,415 1.066,416 1.416,418 2.641,419 1.038,420 2.237,421 1.228,422 3.319,423 1.761,424 0.756,425 1.08,427 1.757,428 0.755,429 2.099,430 0.776,431 3.152,432 1.61,433 0.595,434 0.823,436 1.395,437 0.598,438 1.479,439 0.563,440 2.817,441 1.075,442 0.038,443 0.053,445 0.091,446 0.039,447 0.994,448 -0.018,449 2.41,450 0.573,451 -0.418,452 -0.565,454 -0.999,455 -0.412,456 0.882,457 -0.246,458 2.298,459 0.382,460 -0.618,461 -0.92,463 -1.591,464 -0.618,465 0.765,466 -0.618,467 2.111,468 0.323,469 -0.684,470 -0.927,472 -1.668,473 -0.682,474 10.967,475 0.477,476 0.521,477 0.023,478 34.75,479 1.511,480 20,481 0.87,482 14.75,483 0.641,484 13.388,485 0.582,486 22.633,487 0.612,488 24.068,489 1.046,490 7.053,491 0.307,492 4.184,493 0.182,494 0.061,496 0.356,501 0.625,502 1.083,503 0.679,504 0.876,505 0.517,506 0.796,507 0.654,508 0.989,509 0.838,510 0.926,511 0.585,512 0.904,513 0.705,514 1.1,515 0.884,516 1.038,517 0.655,518 0.992,519 0.996,520 1.283,521 1.131,522 1.227,523 0.96,524 1.206,525 1.45,526 1.005,527 1.154,528 0.945,529 1.444,530 0.991,531 1.231,532 0.886,533 1.033,534 0.841,535 1.124,536 0.885,537 1.017,538 0.881,539 0.932,540 0.92,541 0.981,542 0.912,543 1.153,544 0.829,545 0.965,546 0.912,547 1.232,548 0.914,549 3.5,550 0.057,551 2.889,552 2.174,553 1.058,554 0.542,555 0.354,556 0.247,557 0.238,558 0.155,559 6077,560 16247,561 2.168,562 37.8,564 11,565 2,567 1,572 1.655,573 2.06,574 3.219,575 -0.369,576 1,577 1,579 1,582 54.736,583 1.479,584 2.936,585 3.674,586 4.649,587 4.993,588 5.101,589 2.616,590 4.263,591 4.501,592 3.352,593 848.119,594 7.733,595 9604.64,596 1,597 1,598 1,599 1,600 192.75,601 1.302,602 4.469,603 0.135,604 0.005,605 0.078,606 0.057,607 0.036,608 0.024,609 0.017,610 0.011,611 0.011,612 0.009,613 0.383,614 0.5,615 1,616 0.503,617 107.329,618 -0.036,619 -0.06,620 0.041,621 0.014,622 -0.052,623 0.035,624 0.07,625 0.064,626 -0.045,627 -0.033,628 -0.021,629 -0.054,630 0.205,631 -0.098,632 0.036,633 -0.095,634 0.195,635 -0.062,636 -0.007,637 -0.291,638 -0.149,639 -0.27,640 -0.016,641 -0.244,642 -0.124,643 0.004,644 -0.06,645 0.033,646 -0.115,647 0.002,648 -0.16,649 0.122,650 0.009,651 0.137,652 -0.094,653 0.111,654 -0.075,655 0.076,656 0.042,657 0.064,658 -0.016,659 0.075,660 -0.111,661 0.098,662 0.009,663 0.082,664 -0.089,665 0.07,666 2.153,667 5.132,668 0.826,669 16.174,670 1.004,671 1.106,672 3.398,673 11.545,674 0.716,675 3.296,676 3.638,677 3.97,678 4.248,679 4.466,680 4.443,681 4.522,682 4.635,683 4.691,684 4.718,685 5.672,686 0.693,687 302.35,688 3.296,689 4.844,690 5.72,691 6.611,692 7.502,693 8.397,694 9.293,695 10.191,696 11.088,697 11.988,698 5.4,703 1,705 1,714 2,715 11,720 3,722 17,727 1,734 1,741 37,743 19,744 3,745 26,747 40,748 19,749 16,750 5,751 11,752 2,756 4,757 6,772 18,773 1,777 2,782 2,786 2,789 1,790 1,793 14,794 4,795 1,796 4,802 2,808 0.5,809 2,828 1,829 3,832 1,833 1,844 1,859 2,868 23,876 1,877 1,881 1,893 5.4,896 2,901 11.167,902 6.7,903 5,904 2.165,907 3.523,908 1.477,909 1.05,910 3.268,911 10.908,912 3.624,913 4.248,914 4.89,915 5.463,916 6.02,917 6.19,918 6.515,919 6.844,920 7.137,921 7.095,922 1,923 38,924 8.522,926 3.763,927 0.026,929 7.833,931 16.112,933 13.546,936 2.333,937 53.667,941 153.024,942 129.599,943 21.135,945 50.29,948 129.599,949 203.314,950 21.135,952 4.801,953 104.239,954 78.139,955 13.845,956 23.542,957 129.482,959 153.024,960 150.734,961 50.29,964 153.024,965 50.29,968 4.801,969 127.922,970 18.011,972 153.024,973 71.425,974 129.599,977 153.024,978 25.36,979 107.363,980 18.011,981 50.29,982 153.024,983 71.425,984 129.599,986 0.585,987 0.36,988 0.201,989 0.108,990 20,991 8,992 0.075,993 3,994 2,995 1.211,996 3.594,997 190.279,998 0.211,999 19,1000 104.042,1005 13.83,1006 5.434,1007 2.345,1008 2.289,1009 71.425,1010 21.191,1015 2.043,1017 18.011,1018 354.048,1019 36.5,1024 24.106,1028 -0.93,1031 37.16,1032 40.907,1034 0.284,1035 0.564,1036 0.705,1037 0.892,1038 0.958,1039 0.979,1040 4.854,1041 1.354,1042 5.707,1043 3.038,1044 4.317,1045 4.934,1046 1.509,1047 6.553,1048 4.297,1049 6.069,1050 1.066,1051 7.287,1052 2.96,1053 3.892,1054 4.718,1055 0.325,1056 7.519,1057 3.868,1058 7.384,1059 0.756,1060 8.972,1061 2.641,1062 5.938,1063 7.172,1064 1.598,1065 10.668,1066 5.893,1067 8.738,1068 0.595,1069 10.719,1070 1.757,1071 6.382,1072 7.808,1073 0.705,1074 12.509,1075 6.335,1076 10.128,1077 0.038,1078 12.508,1079 1.395,1080 7.882,1081 9.712,1082 1.817,1083 15.179,1084 7.817,1085 11.543,1086 -0.418,1087 14.324,1088 0.091,1089 8.733,1090 10.76,1091 1.105,1092 17.383,1093 8.664,1094 12.978,1095 -0.618,1096 16.162,1097 -0.999,1098 10.022,1099 12.426,1100 2.087,1101 19.901,1102 9.938,1103 3.303,1104 -0.684,1105 18.015,1106 -1.591,1107 11.058,1108 13.678,1109 1.518,1110 22.255,1111 10.967,1112 2.922,1113 11.718,1114 19.882,1115 -1.668,1116 12.27,1117 15.232,1118 2.385,1119 24.726,1120 12.166,1121 2.325,1122 9.226,1123 21.759,1124 4.336,1125 13.387,1126 16.586,1127 1.94,1128 27.14,1129 13.273,1130 2.149,1131 7.106,1132 23.646,1133 4.128,1134 14.573,1135 18.086,1136 2.702,1137 29.598,1138 14.447,1139 2.058,1140 6.634,1141 25.54,1142 3.06,1143 15.725,1144 19.49,1145 2.365,1146 32.038,1147 15.588,1148 1.618,1149 6.548,1150 27.44,1151 2.963,1152 16.905,1153 20.965,1154 3.035,1155 34.494,1156 16.756,1157 1.418,1158 4.368,1159 29.347,1160 2.479,1161 18.074,1162 22.393,1163 2.791,1164 36.944,1165 17.913,1166 5651,1167 9362,1168 17.8,1169 26.489,1170 39.753,1171 41.637,1172 40.402,1173 39.273,1174 39.206,1175 53.655,1176 3.971,1177 114.962,1178 38.844,1179 5.507,1180 5.979,1181 6.655,1182 5.344,1183 5.303,1184 7.336,1185 2.319,1186 18.901,1187 5.264,1188 8.216,1189 1.529,1190 1.601,1191 1.554,1192 1.51,1193 1.508,1194 2.064,1195 0.153,1196 4.422,1197 1.494,1198 4.091,1199 4.116,1200 4.045,1201 4.042,1202 7.497,1203 4.039,1204 4,1205 4.02,1206 3.966,1207 3.911,1208 7.352,1209 3.92,1210 3.558,1211 3.616,1212 3.469,1213 3.427,1214 4.912,1215 3.428,1216 3.435,1217 3.459,1218 3.372,1219 3.274,1220 4.712,1221 3.297,1222 3.186,1223 3.238,1224 3.072,1225 3.003,1226 4.402,1227 3.007,1228 3.028,1229 3.079,1230 2.913,1231 2.912,1232 4.034,1233 2.909,1234 2.846,1235 2.912,1236 2.719,1237 2.703,1238 3.84,1239 2.695,1240 2.623,1241 2.686,1242 2.545,1243 2.508,1244 3.633,1245 2.493,1246 0.176,1247 0.153,1248 0.268,1249 0.165,1250 0.127,1251 4.584,1252 0.167,1253 3.979,1254 0.047,1255 6.968,1256 0.451,1257 4.29,1258 0.126,1259 3.303,1260 4.336,1261 1.219,1262 11.718,1263 3.264,1264 2.07,1265 2.05,1266 2.155,1267 2.131,1268 1.283,1269 2.14,1270 1.88,1271 1.857,1272 1.983,1273 1.964,1274 1.095,1275 1.971,1276 1.552,1277 1.506,1278 1.714,1279 1.776,1280 0.837,1281 1.752,1282 1.404,1283 1.384,1284 1.543,1285 1.587,1286 0.646,1287 1.571,1288 1.145,1289 1.098,1290 1.311,1291 1.367,1292 0.36,1293 1.357,1294 1.048,1295 1.001,1296 1.266,1297 1.19,1298 0.294,1299 1.22,1300 0.82,1301 0.76,1302 1.074,1303 1.014,1304 0.151,1305 1.031,1306 0.753,1307 0.704,1308 0.957,1309 0.972,1310 0.04,1311 0.981,1312 3.97,1314 5.303,1315 2.398,1316 6.847,1317 4.949,1318 8.482,1319 7.195,1320 10.162,1328 0.264,1329 3.223,1333 1.479,1340 25.633,1341 54.736,1342 108.642,1343 135.941,1344 171.995,1345 184.75,1346 188.75,1347 35.191,1348 7.385,1349 51.1,1350 51.1,1351 23,1352 12.51,1353 4.322,1354 3.524,1355 31.971,1356 80,1357 69,1358 0.199,1359 155.758,1360 268.3,1361 371.811,1362 16512,1364 15.811,1365 0.687,1366 0.536,1367 15.811,1368 12.322,1369 11.237,1370 0.432,1371 0.285,1372 7.344,1373 10.954,1374 7.201,1375 5.951,1376 11.237,1377 7.418,1378 10.055,1379 0.272,1380 0.148,1381 10.055,1382 5.476,1383 9.161,1384 0.176,1385 0.078,1386 9.161,1387 4.07,1388 7.68,1389 0.111,1390 0.042,1391 7.68,1392 2.875,1393 6.366,1394 0.074,1395 0.023,1396 6.366,1397 1.963,1398 0.311,1399 69.569,1400 0.237,1401 22.502,1402 0.547,1403 126,1404 357.449,1405 134.842,1406 350.801,1407 483.37,1408 328,1409 152,1410 357.484,1411 161.979,1412 365.005,1413 539.46,1414 345,1415 4}
{0 CHEMBL222712,1 1.707,2 8.7,3 2.98,4 8.883,5 77.488,6 9.249,7 0.545,8 3.562,9 3.655,10 3.31,11 3.191,12 4.776,13 3.184,14 4.05,15 4.175,16 3.703,17 3.572,18 5.284,19 3.551,20 4.292,21 4.452,22 3.764,23 3.639,24 5.662,25 3.599,26 4.258,27 4.442,28 3.498,29 3.481,30 5.504,31 3.418,32 4.155,33 4.363,34 3.327,35 3.272,36 5.441,37 3.225,38 3.92,39 4.118,40 3.196,41 3.212,42 5.123,43 3.152,44 3.794,45 3.942,46 3.214,47 3.195,48 5.117,49 3.138,50 3.693,51 3.843,52 3.082,53 3.065,54 5.015,55 2.984,56 0.061,57 0.423,58 3.804,59 2.44,60 6.144,61 2.709,62 0.188,63 0.697,64 7.627,65 4.044,66 10.551,67 4.557,68 0.364,69 0.826,70 14.936,71 5.761,72 50.063,73 6.68,74 0.333,75 0.8,76 15.118,77 5.648,78 37.892,79 6.386,80 0.422,81 0.702,82 14.404,83 5.091,84 55.197,85 5.607,86 0.263,87 0.549,88 11.96,89 4.227,90 36.773,91 4.781,92 0.207,93 0.453,94 10.353,95 3.79,96 22.184,97 4.247,98 0.17,99 0.401,100 7.501,101 3.513,102 27.505,103 3.813,104 10,105 31,106 0.319,107 0.6,108 0.715,109 0.836,110 0.865,111 0.865,112 3.058,113 0.885,114 -4.33,115 -4.27,116 -4.03,121 48.4,128 1,144 8,145 1,146 3,159 1,160 1,176 6,179 1,180 3,183 1,185 2,187 8,191 2,192 4,197 2,200 6,206 7,209 1,211 2,219 5,222 1,224 3,232 2,237 1,239 4,244 5,251 8,256 2,264 6,269 1,277 4,281 484,282 13.483,283 13.483,284 13.483,285 13.483,286 13.483,287 11.821,288 15.88,289 7.878,290 13.736,291 10.812,292 10.812,293 10.812,294 10.812,295 10.812,296 8.243,297 22.247,298 3.721,299 11.25,300 3.247,301 1.742,302 1.121,303 0.476,304 0.323,305 0.323,306 3.736,308 1,310 1,311 1,312 1,313 376,314 2.345,317 40.438,318 110.853,321 76.682,325 1.16,326 24.159,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 43.333,338 174,339 4.583,340 3.979,341 6.968,342 4.29,343 3.303,344 4.128,345 1.219,346 11.718,347 3.264,348 4.011,349 2.998,350 5.64,351 3.569,352 2.618,353 3.614,354 0.557,355 7.261,356 2.481,357 3.607,358 2.943,359 5.538,360 3.177,361 2.203,362 2.967,363 0.21,364 6.922,365 2.183,366 3.449,367 2.777,368 5.4,369 3.107,370 2.123,371 2.715,373 6.598,374 2.045,375 3.313,376 2.506,377 4.886,378 2.936,379 2.014,380 2.468,382 5.676,383 1.75,384 2.842,385 1.897,386 3.788,387 2.361,388 1.354,389 1.97,391 2.963,392 1.36,393 2.5,394 1.339,395 3.64,396 2.04,397 1.069,398 1.5,400 2.655,401 1.03,402 2.462,403 1.262,404 3.414,405 2,406 1,407 1.412,409 2.275,410 1,411 2.16,412 1,413 3.297,414 1.697,415 0.69,416 0.905,418 1.608,419 0.676,420 1.537,421 0.795,422 2.799,423 1.118,424 0.113,425 0.154,427 0.26,428 0.104,429 1.037,430 0.32,431 2.373,432 0.617,433 -0.282,434 -0.359,436 -0.619,437 -0.219,438 0.763,439 -0.018,440 2.167,441 0.32,442 -0.66,443 -0.854,445 -1.612,446 -0.612,447 0.561,448 -0.493,449 2,450 0.092,451 -0.896,452 -1.236,454 -2.182,455 -0.852,456 0.5,457 -0.826,458 2,460 -1,461 -1.424,463 -2.861,464 -0.965,465 0.197,466 -0.915,467 1.638,468 -0.209,469 -1.151,470 -1.5,472 -3,473 -1,474 9.681,475 0.484,476 0.507,477 0.025,478 29,479 1.45,480 16,481 0.8,482 13,483 0.65,484 11.85,485 0.592,486 20.319,487 0.655,488 19.497,489 0.975,490 5.919,491 0.296,492 3.745,493 0.187,494 0.143,496 0.351,501 0.621,502 1.183,503 0.535,504 0.832,505 0.522,506 0.773,507 0.668,508 1.05,509 0.664,510 0.86,511 0.589,512 0.871,513 0.823,514 1.151,515 0.94,516 1.055,517 0.72,518 1.01,519 1.088,520 1.275,521 1.049,522 1.203,523 1.056,524 1.212,525 1.29,526 0.929,527 0.756,528 0.847,529 1.492,530 0.928,531 1.187,532 0.73,533 0.894,534 0.744,535 1.193,536 0.811,537 1.032,538 0.818,539 1.13,540 1.104,541 1.116,542 1.05,543 1.217,544 0.963,545 0.962,546 1.039,547 1.474,548 1.128,549 3.5,550 0.025,551 2.667,552 1.986,553 0.804,554 0.57,555 0.375,556 0.203,557 0.153,558 0.123,559 3805,560 13213,561 2.077,562 35.5,564 8,565 2,567 1,572 1.616,573 1.935,574 3.076,575 -0.271,577 1,579 1,582 52.923,583 1.707,584 3.212,585 3.833,586 4.478,587 4.632,588 4.632,589 2.446,590 3.922,591 4.295,592 3.202,593 608.303,594 7.33,595 6171.7,596 1,597 1,598 1,599 1,600 153.58,601 1.441,602 4.248,603 0.159,604 0.006,605 0.086,606 0.064,607 0.035,608 0.03,609 0.021,610 0.011,611 0.011,612 0.014,613 0.437,614 0.67,615 1,616 0.627,617 88.292,618 -0.054,619 -0.111,620 0.009,621 -0.009,622 -0.053,623 0.017,624 0.03,625 0.043,626 -0.011,627 -0.016,628 -0.013,629 -0.047,630 0.103,631 -0.14,632 -0.043,633 -0.126,634 0.164,635 -0.084,636 -0.103,637 -0.272,638 -0.178,639 -0.27,640 -0.068,641 -0.26,642 -0.099,643 0.066,644 0.037,645 0.104,646 -0.14,647 0.064,648 -0.196,649 0.238,650 -0.004,651 0.236,652 -0.137,653 0.2,654 -0.071,655 0.088,656 -0.155,657 -0.117,658 -0.078,659 -0.08,660 -0.171,661 -0.104,662 -0.066,663 -0.041,664 -0.22,665 -0.142,666 2.173,667 4.953,668 0.75,669 13.32,670 1.019,671 1.111,672 3.102,673 9.623,674 0.729,675 3.135,676 3.466,677 3.761,678 4.007,679 4.205,680 4.143,681 4.174,682 4.263,683 4.234,684 4.22,685 5.101,686 0.708,687 286.73,688 3.135,689 4.673,690 5.533,691 6.415,692 7.296,693 8.186,694 9.075,695 9.969,696 10.864,697 11.762,698 6.5,703 1,705 1,715 8,720 4,722 12,727 1,734 1,740 1,741 31,743 14,744 2,745 22,747 33,748 15,749 12,750 4,751 8,752 2,756 3,757 4,758 1,772 14,773 1,777 2,782 2,786 2,789 1,790 1,793 11,794 4,795 1,796 5,797 1,802 2,808 0.667,809 2,828 1,829 2,832 1,844 1,859 2,865 1,868 20,876 1,877 1,881 1,892 1,893 6.5,896 2,901 10.333,902 5.593,903 4.389,904 1.75,907 2.334,908 1.349,909 1.009,910 3.365,911 9.012,912 3.434,913 4.007,914 4.575,915 5.064,916 5.552,917 5.545,918 5.738,919 5.987,920 6.14,921 6.374,922 0.833,923 31,924 7.39,926 3.225,927 0.026,929 8.006,931 13.71,933 11.233,936 2.506,937 50.111,941 117.711,942 99.525,943 21.135,944 39.149,945 50.29,948 99.525,949 207.15,950 21.135,952 4.801,953 75.81,954 78.139,955 12.2,956 23.542,957 94.169,958 39.149,959 117.711,960 120.66,961 50.29,962 39.149,964 117.711,965 50.29,968 4.801,969 97.848,970 57.159,972 117.711,973 71.425,974 138.673,977 117.711,978 23.715,979 78.934,980 18.011,981 89.438,982 117.711,983 71.425,984 138.673,986 0.586,987 0.352,988 0.186,989 0.103,990 16,991 7,992 0.091,993 3,994 1,995 1.133,996 3.254,997 150.773,998 0.133,999 15,1000 82.439,1005 13.005,1006 5.175,1007 2.4,1009 71.425,1010 14.135,1015 2.576,1017 18.011,1018 327.809,1019 30,1024 23.779,1028 -0.967,1031 31.6,1032 34.435,1034 0.345,1035 0.648,1036 0.774,1037 0.904,1038 0.935,1039 0.935,1040 4.663,1041 1,1042 5.525,1043 2.655,1044 4.143,1045 4.691,1046 1.509,1047 6.358,1048 4.079,1049 5.868,1050 0.69,1051 7.102,1052 2.275,1053 3.761,1054 4.443,1055 0.325,1056 7.326,1057 3.644,1058 7.173,1059 0.113,1060 8.784,1061 1.608,1062 5.753,1063 6.834,1064 1.598,1065 10.465,1066 5.642,1067 8.515,1068 -0.282,1069 10.529,1070 0.26,1071 6.217,1072 7.388,1073 0.705,1074 12.324,1075 6.085,1076 9.891,1077 -0.66,1078 12.315,1079 -0.619,1080 7.69,1081 9.259,1082 1.817,1083 15.007,1084 7.556,1085 11.293,1086 -0.896,1087 14.131,1088 -1.612,1089 8.553,1090 10.201,1091 1.105,1092 17.24,1093 8.414,1094 12.715,1095 -1,1096 15.97,1097 -2.182,1098 9.834,1099 11.845,1100 2.087,1101 19.777,1102 9.688,1103 3.303,1104 -1.151,1105 17.828,1106 -2.861,1107 10.882,1108 12.993,1109 1.518,1110 22.155,1111 10.734,1112 2.618,1113 11.718,1114 19.701,1115 -3,1116 12.096,1117 14.524,1118 2.385,1119 24.643,1120 11.941,1121 2.203,1122 7.261,1123 21.586,1124 4.128,1125 13.225,1126 15.786,1127 1.94,1128 27.074,1129 13.065,1130 2.123,1131 6.922,1132 23.482,1133 3.614,1134 14.419,1135 17.258,1136 2.702,1137 29.545,1138 14.252,1139 2.014,1140 6.598,1141 25.386,1142 2.967,1143 15.584,1144 18.584,1145 2.365,1146 31.995,1147 15.41,1148 1.354,1149 5.676,1150 27.298,1151 2.715,1152 16.774,1153 20.026,1154 3.035,1155 34.46,1156 16.591,1157 1.069,1158 2.963,1159 29.215,1160 2.468,1161 17.954,1162 21.389,1163 2.791,1164 36.917,1165 17.762,1166 3712,1167 7003,1168 14.622,1169 22.585,1170 33.657,1171 35.389,1172 34.417,1173 33.226,1174 32.976,1175 43.668,1176 3.971,1177 95.871,1178 31.79,1179 5.506,1180 5.979,1181 6.646,1182 5.341,1183 5.303,1184 7.128,1185 2.319,1186 18.901,1187 5.264,1188 9.305,1189 1.53,1190 1.609,1191 1.564,1192 1.51,1193 1.499,1194 1.985,1195 0.18,1196 4.358,1197 1.445,1198 4.024,1199 4.049,1200 4.015,1201 3.924,1202 7.497,1203 3.934,1204 3.89,1205 3.917,1206 3.956,1207 3.832,1208 7.352,1209 3.825,1210 3.483,1211 3.526,1212 3.455,1213 3.295,1214 4.95,1215 3.322,1216 3.251,1217 3.292,1218 3.354,1219 3.036,1220 4.714,1221 3.052,1222 2.904,1223 2.953,1224 3.018,1225 2.779,1226 4.415,1227 2.772,1228 2.854,1229 2.925,1230 2.688,1231 2.735,1232 3.989,1233 2.715,1234 2.715,1235 2.769,1236 2.687,1237 2.583,1238 3.674,1239 2.561,1240 2.605,1241 2.613,1242 2.544,1243 2.417,1244 3.626,1245 2.443,1246 0.208,1247 0.181,1248 0.317,1249 0.195,1250 0.15,1251 4.583,1252 0.188,1253 3.979,1254 0.055,1255 6.968,1256 0.533,1257 4.29,1258 0.148,1259 3.303,1260 4.128,1261 1.219,1262 11.718,1263 3.264,1264 1.894,1265 1.868,1266 1.994,1267 1.998,1268 1.108,1269 2.001,1270 1.868,1271 1.846,1272 1.966,1273 1.945,1274 1.059,1275 1.956,1276 1.46,1277 1.432,1278 1.602,1279 1.72,1280 0.774,1281 1.681,1282 1.167,1283 1.125,1284 1.303,1285 1.412,1286 0.298,1287 1.382,1288 0.886,1289 0.837,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.876,1295 0.821,1296 1.075,1297 1.062,1298 0.161,1299 1.059,1300 0.781,1301 0.726,1302 0.993,1303 0.977,1304 0.077,1305 1.006,1306 0.616,1307 0.563,1308 0.86,1309 0.813,1311 0.845,1312 3.807,1314 5.13,1315 2.398,1316 6.655,1317 4.949,1318 8.268,1319 7.195,1320 9.926,1323 5.811,1328 0.239,1329 3.1,1333 1.437,1340 21.934,1341 52.923,1342 99.58,1343 118.825,1344 138.825,1345 143.58,1346 143.58,1347 34.301,1348 6.678,1349 51.1,1350 51.1,1351 17,1352 12.286,1353 3.907,1354 3.17,1355 30.029,1356 60,1357 66,1358 0.247,1359 138.97,1360 242.85,1361 330.847,1362 6323,1363 3.2,1364 14.113,1365 0.706,1366 0.561,1367 14.613,1368 11.224,1369 9.665,1370 0.439,1371 0.295,1372 6.069,1373 9.073,1374 5.926,1375 4.883,1376 9.953,1377 6.491,1378 8.698,1379 0.281,1380 0.157,1381 9.106,1382 4.858,1383 7.649,1384 0.182,1385 0.081,1386 7.937,1387 3.416,1388 6.065,1389 0.112,1390 0.042,1391 6.232,1392 2.269,1393 4.995,1394 0.076,1395 0.023,1396 5.231,1397 1.547,1398 0.38,1399 63.31,1400 0.262,1401 19.841,1402 0.691,1403 106,1404 341.652,1405 130.361,1406 360.409,1407 475.86,1408 334,1409 126,1410 320.347,1411 145.738,1412 334.348,1413 491.99,1414 315,1415 4}
{0 CHEMBL222752,1 1.447,2 15.892,3 5.064,4 25.648,5 140.086,6 8.247,7 0.571,8 4.189,9 4.279,10 3.854,11 3.849,12 5.369,13 3.833,14 4.71,15 4.833,16 4.252,17 4.261,18 5.877,19 4.234,20 4.979,21 5.129,22 4.358,23 4.389,24 6.301,25 4.341,26 5.073,27 5.274,28 4.207,29 4.354,30 6.211,31 4.275,32 4.991,33 5.187,34 4.151,35 4.266,36 6.231,37 4.205,38 4.85,39 5.02,40 4.027,41 4.211,42 6.069,43 4.131,44 4.821,45 5.038,46 3.85,47 4.091,48 5.914,49 3.988,50 4.607,51 4.817,52 3.657,53 3.919,54 5.598,55 3.805,56 0.023,57 0.725,58 9.007,59 5.067,60 9.195,61 5.94,62 0.186,63 1.268,64 17.253,65 8.525,66 17.97,67 10.21,68 0.419,69 1.623,70 25.473,71 11.937,72 85.705,73 14.639,74 0.356,75 1.828,76 32.686,77 13.705,78 69.656,79 16.905,80 0.458,81 1.629,82 31.364,83 12.75,84 92.157,85 15.021,86 0.296,87 1.371,88 24.651,89 11.268,90 70.116,91 13.318,92 0.336,93 1.394,94 26.883,95 11.212,96 67.115,97 14.063,98 0.179,99 1.122,100 20.474,101 9.161,102 44.441,103 11.806,104 17,105 61,106 0.229,107 0.471,108 0.582,109 0.689,110 0.721,111 0.721,112 3.642,113 0.861,114 -5.4,115 -5.29,116 -4.94,121 52.5,123 1,127 2,144 16,145 6,146 2,159 2,160 2,176 22,179 2,180 8,187 25,191 4,192 12,200 18,206 16,214 14,219 14,227 22,232 10,239 26,244 8,251 20,256 8,264 13,269 8,277 10,281 2550,282 25.292,283 25.292,284 25.292,285 25.292,286 25.292,287 22.073,288 31.942,289 14.622,290 25.388,291 20.692,292 20.692,293 20.692,294 20.692,295 20.692,296 15.636,297 45.835,298 6.941,299 20.804,300 4.435,301 2.907,302 2.203,303 1.525,304 1.322,305 1.322,306 4.359,312 1,313 1324,314 3.162,317 187.739,318 474.87,321 350.816,325 2.615,326 42.959,329 0.75,330 0.67,331 1,332 0.4,334 1,335 1,336 0.69,337 79,338 588,339 4.588,340 3.982,341 6.972,342 4.296,343 3.309,344 4.131,345 1.23,346 11.743,347 3.269,348 4.588,349 3.982,350 6.972,351 4.296,352 3.309,353 4.131,354 1.23,355 11.743,356 3.269,357 4.114,358 3.058,359 5.725,360 3.75,361 2.75,362 3.712,363 0.68,364 7.919,365 2.749,366 3.972,367 3.028,368 5.706,369 3.576,370 2.579,371 3.565,372 0.521,373 7.616,374 2.571,375 3.635,376 2.963,377 5.595,378 3.339,379 2.349,380 2.981,381 0.521,382 7.362,383 2.322,384 3.605,385 2.827,386 5.541,387 3.17,388 2.161,389 2.966,391 6.669,392 2.182,393 3.579,394 2.798,395 5.539,396 3.161,397 2.135,398 2.881,400 6.622,401 2.179,402 3.405,403 2.627,404 5.326,405 3.092,406 2.091,407 2.636,409 6.536,410 2.07,411 3.257,412 2.506,413 5.156,414 2.937,415 1.951,416 2.414,418 6.159,419 1.913,420 3.18,421 2.148,422 4.869,423 2.812,424 1.817,425 2.366,427 5.531,428 1.804,429 2.842,430 1.783,431 3.731,432 2.361,433 1.354,434 1.97,436 2.959,437 1.36,438 2.842,439 1.749,440 3.722,441 2.361,442 1.354,443 1.97,445 2.958,446 1.36,447 2.5,448 1.322,449 3.64,450 2,451 1,452 1.5,454 2.41,455 1,456 2.5,457 1.321,458 3.64,459 2,460 1,461 1.5,463 2.375,464 1,465 2.431,466 1.106,467 3.414,468 1.951,469 0.95,470 1.336,472 2.275,473 0.947,474 17.633,475 0.477,476 0.939,477 0.025,478 54.5,479 1.473,480 31,481 0.838,482 23.5,483 0.635,484 27.02,485 0.73,486 36.367,487 0.616,488 44.893,489 1.213,490 10.96,491 0.296,492 7.032,493 0.19,494 0.076,496 0.386,501 0.539,502 1.078,503 0.656,504 0.902,505 0.492,506 0.818,507 0.598,508 1.06,509 0.8,510 0.946,511 0.563,512 0.908,513 0.611,514 1.188,515 0.917,516 1.148,517 0.635,518 1.098,519 0.976,520 1.054,521 1.054,522 1.055,523 0.879,524 1.059,525 1.301,526 0.825,527 1.031,528 0.868,529 1.271,530 0.894,531 1.08,532 1.014,533 1.14,534 1.092,535 1.124,536 1.128,537 0.95,538 0.892,539 1.063,540 0.957,541 0.932,542 1.015,543 0.673,544 1.118,545 1.063,546 1.143,547 0.706,548 1.171,549 6.5,550 0.262,551 4.444,552 3.972,553 2.009,554 1.369,555 0.707,556 0.457,557 0.316,558 0.261,559 26572,560 73832,561 2.163,562 37.3,563 2,564 20,572 1.772,573 2.037,574 3.861,575 -0.832,582 85.388,583 1.447,584 2.976,585 3.679,586 4.357,587 4.561,588 4.561,589 3.223,590 3.912,591 5.186,592 4.122,593 2745.02,594 9.068,595 48135.5,600 347.076,601 1.371,602 5.147,603 0.155,604 0.007,605 0.073,606 0.062,607 0.037,608 0.026,609 0.015,610 0.012,611 0.01,612 0.009,613 0.407,614 0.17,615 0.75,616 0.488,617 208.784,618 -0.006,619 -0.089,620 0.049,621 -0.005,622 -0.029,623 0.022,624 0.069,625 -0.025,626 -0.007,627 -0.041,628 -0.009,629 -0.039,630 0.246,631 -0.197,632 -0.019,633 -0.199,634 0.189,635 -0.166,636 -0.072,637 -0.047,638 -0.043,639 -0.067,640 -0.019,641 -0.05,642 -0.152,643 0.153,644 0.014,645 0.135,646 -0.086,647 0.113,648 -0.128,649 -0.089,650 -0.179,651 -0.094,652 -0.101,653 -0.138,654 -0.085,655 0.075,656 -0.019,657 0.064,658 -0.068,659 0.041,660 -0.009,661 -0.167,662 -0.067,663 -0.128,664 -0.053,665 -0.115,666 2.158,667 5.444,668 0.811,669 46.682,670 1.006,671 1.101,672 4.174,673 17.42,674 0.719,675 3.761,676 4.127,677 4.466,678 4.762,679 5.004,680 5.017,681 5.153,682 5.293,683 5.323,684 5.434,685 9.482,686 0.698,687 486.55,688 3.761,689 5.333,690 6.217,691 7.117,692 8.016,693 8.921,694 9.824,695 10.731,696 11.638,697 12.546,698 3.4,705 2,715 16,720 8,722 24,727 2,741 59,743 28,744 4,745 42,747 64,748 31,749 24,750 8,751 16,752 4,756 6,757 8,770 1,772 28,773 3,777 4,782 4,786 4,793 22,794 6,796 6,802 2,808 0.667,809 4,828 2,829 4,832 2,844 2,859 4,868 37,876 3,881 2,893 6.8,896 4,901 18.167,902 10.9,903 7.944,904 3.553,907 4.819,908 1.533,909 1.044,910 5.693,911 13.852,912 4.078,913 4.682,914 5.283,915 5.816,916 6.357,917 6.485,918 6.85,919 7.237,920 7.507,921 7.836,922 1,923 64,924 13.791,926 6.21,927 0.026,929 7.892,931 25.984,933 22.219,936 2.392,937 88.5,941 258.964,942 202.669,943 6.249,945 100.58,948 202.669,949 359.544,950 6.249,952 12.995,953 151.62,954 120.256,955 24.627,957 258.964,959 258.964,960 208.918,961 100.58,964 258.964,965 100.58,968 12.995,969 195.923,972 258.964,973 106.828,974 202.669,977 258.964,978 51.049,979 157.869,981 100.58,982 258.964,983 106.828,984 202.669,986 0.592,987 0.363,988 0.201,989 0.113,990 32,991 14,992 0.094,993 6,994 2,995 1.133,996 4.875,997 364.916,998 0.133,999 30,1000 148.75,1005 22.938,1006 9.183,1007 4.129,1009 106.828,1010 30.202,1015 6.36,1018 568.462,1019 58,1024 49.357,1028 -1.899,1031 59.349,1032 64.986,1034 0.246,1035 0.506,1036 0.625,1037 0.741,1038 0.775,1039 0.775,1040 5.333,1041 2.091,1042 6.217,1043 6.622,1044 4.812,1045 5.371,1046 2.172,1047 7.076,1048 4.803,1049 6.548,1050 1.951,1051 7.807,1052 6.536,1053 4.443,1054 5.13,1055 0.57,1056 8.054,1057 4.43,1058 7.863,1059 1.817,1060 9.498,1061 6.159,1062 6.454,1063 7.534,1064 2.25,1065 11.209,1066 6.424,1067 9.212,1068 1.354,1069 11.249,1070 5.531,1071 6.929,1072 8.094,1073 1.16,1074 13.058,1075 6.893,1076 10.594,1077 1.354,1078 13.039,1079 2.959,1080 8.41,1081 9.968,1082 2.481,1083 15.746,1084 8.358,1085 12,1086 1,1087 14.857,1088 2.958,1089 9.278,1090 10.916,1091 1.692,1092 17.968,1093 9.215,1094 13.427,1095 1,1096 16.697,1097 2.41,1098 10.563,1099 12.559,1100 2.778,1101 20.506,1102 10.485,1103 3.309,1104 0.95,1105 18.555,1106 2.375,1107 11.612,1108 13.712,1109 2.193,1110 22.879,1111 11.522,1112 3.309,1113 11.743,1114 20.427,1115 2.275,1116 12.828,1117 15.241,1118 3.107,1119 25.367,1120 12.723,1121 2.75,1122 11.743,1123 22.311,1124 4.131,1125 13.958,1126 16.506,1127 2.675,1128 27.797,1129 13.84,1130 2.579,1131 7.919,1132 24.205,1133 4.131,1134 15.152,1135 17.978,1136 3.455,1137 30.269,1138 15.021,1139 2.349,1140 7.616,1141 26.108,1142 3.712,1143 16.317,1144 19.306,1145 3.145,1146 32.719,1147 16.172,1148 2.161,1149 7.362,1150 28.017,1151 3.565,1152 17.507,1153 20.747,1154 3.816,1155 35.185,1156 17.349,1157 2.135,1158 6.669,1159 29.933,1160 2.981,1161 18.687,1162 22.111,1163 3.605,1164 37.644,1165 18.516,1166 24010,1167 40202,1168 28.55,1169 42.443,1170 65.338,1171 68.463,1172 66.092,1173 64.147,1174 64.025,1175 85.422,1176 8.366,1177 191.044,1178 63.872,1179 5.492,1180 5.982,1181 6.651,1182 5.327,1183 5.309,1184 7.131,1185 2.335,1186 18.957,1187 5.269,1188 17.003,1189 1.556,1190 1.63,1191 1.574,1192 1.527,1193 1.524,1194 2.034,1195 0.199,1196 4.549,1197 1.521,1198 4.075,1199 4.1,1200 4.031,1201 3.994,1202 7.501,1203 3.996,1204 4.009,1205 4.031,1206 3.976,1207 3.915,1208 7.494,1209 3.924,1210 3.94,1211 3.963,1212 3.886,1213 3.879,1214 7.352,1215 3.879,1216 3.827,1217 3.855,1218 3.762,1219 3.779,1220 7.352,1221 3.771,1222 3.477,1223 3.512,1224 3.409,1225 3.319,1226 4.802,1227 3.334,1228 3.45,1229 3.472,1230 3.392,1231 3.271,1232 4.715,1233 3.298,1234 3.276,1235 3.304,1236 3.182,1237 3.144,1238 4.697,1239 3.152,1240 3.104,1241 3.148,1242 3.003,1243 2.942,1244 4.642,1245 2.946,1246 0.109,1247 0.095,1248 0.166,1249 0.102,1250 0.079,1251 4.588,1252 0.098,1253 3.982,1254 0.029,1255 6.972,1256 0.28,1257 4.296,1258 0.078,1259 3.309,1260 4.131,1261 1.23,1262 11.743,1263 3.269,1264 1.992,1265 1.966,1266 2.104,1267 2.067,1268 1.286,1269 2.081,1270 1.901,1271 1.874,1272 2.009,1273 1.99,1274 1.167,1275 1.998,1276 1.875,1277 1.853,1278 1.979,1279 1.953,1280 1.091,1281 1.963,1282 1.842,1283 1.819,1284 1.956,1285 1.919,1286 1.058,1287 1.931,1288 1.471,1289 1.444,1290 1.624,1291 1.7,1292 0.878,1293 1.662,1294 1.405,1295 1.393,1296 1.51,1297 1.65,1298 0.665,1299 1.597,1300 1.233,1301 1.213,1302 1.354,1303 1.414,1304 0.439,1305 1.405,1306 1.096,1307 1.054,1308 1.273,1309 1.295,1310 0.295,1311 1.293,1312 4.443,1314 5.796,1315 3.045,1316 7.345,1317 5.638,1318 8.977,1319 7.888,1320 10.653,1328 1.42,1333 3.06,1340 41.17,1341 85.388,1342 175.566,1343 217.076,1344 257.076,1345 269.076,1346 269.076,1347 75.761,1348 9.033,1349 78.14,1350 78.14,1351 34,1352 13.063,1353 4.858,1354 4.087,1355 51.628,1356 218,1357 160,1358 0.114,1359 246.508,1360 442.02,1361 593.239,1362 142452,1364 25.518,1365 0.69,1366 0.537,1367 25.518,1368 19.886,1369 17.991,1370 0.428,1371 0.287,1372 11.948,1373 17.561,1374 11.688,1375 9.628,1376 17.991,1377 12.055,1378 16.469,1379 0.27,1380 0.152,1381 16.469,1382 9.285,1383 15.02,1384 0.175,1385 0.08,1386 15.02,1387 6.893,1388 12.511,1389 0.108,1390 0.043,1391 12.511,1392 4.936,1393 10.678,1394 0.072,1395 0.024,1396 10.678,1397 3.536,1398 0.188,1399 111.332,1400 0.187,1401 34.517,1402 0.29,1403 206,1404 596.232,1405 220.131,1406 581.653,1407 793.7,1408 542,1409 250,1410 579.588,1411 266.628,1412 591.928,1413 877.22,1414 558,1415 5.484}
{0 CHEMBL222795,1 1.706,2 7.111,3 1.43,4 2.044,5 71.668,6 8.199,7 0.3,8 3.582,9 3.687,10 3.303,11 3.19,12 4.635,13 3.137,14 4.161,15 4.326,16 3.641,17 3.602,18 5.186,19 3.521,20 4.379,21 4.567,22 3.664,23 3.66,24 5.577,25 3.576,26 4.403,27 4.641,28 3.451,29 3.535,30 5.447,31 3.435,32 4.286,33 4.521,34 3.365,35 3.394,36 5.415,37 3.306,38 4.054,39 4.224,40 3.256,41 3.351,42 5.2,43 3.241,44 4.011,45 4.2,46 3.197,47 3.258,48 5.153,49 3.082,50 3.694,51 3.954,52 2.651,53 2.831,54 4.625,55 2.554,56 0.02,57 0.482,58 6.261,59 3.151,60 4.208,61 3.759,62 0.214,63 0.854,64 16.714,65 5.826,66 10.812,67 6.679,68 0.311,69 0.97,70 20.716,71 7.093,72 45.353,73 8.726,74 0.284,75 0.924,76 19.045,77 6.715,78 36.083,79 8.847,80 0.359,81 0.801,82 20.208,83 6.162,84 45.75,85 7.557,86 0.208,87 0.634,88 12.729,89 5.195,90 38.659,91 5.962,92 0.245,93 0.595,94 14.688,95 5.512,96 42.41,97 6.031,98 0.172,99 0.426,100 13.217,101 4.486,102 26.542,103 5.195,104 5,105 28,106 0.323,107 0.62,108 0.757,109 0.804,110 0.816,111 0.816,112 2.962,113 1.077,114 -2.87,115 -2.88,116 -2.79,121 40.6,127 4,128 1,144 4,145 1,146 1,159 1,160 1,176 4,179 2,180 3,187 4,191 2,192 5,200 2,205 1,206 7,218 1,219 6,232 1,244 1,251 2,256 1,264 2,277 1,281 356,282 12.328,283 12.328,284 12.328,285 12.328,286 12.328,287 11.442,288 13.823,289 7.348,290 12.735,291 9.863,292 9.863,293 9.863,294 9.863,295 9.863,296 8.399,297 17.639,298 3.49,299 10.452,300 3.294,301 1.726,302 1,303 0.75,304 0.688,305 0.688,306 3.64,310 1,311 1,312 1,313 278,314 2,317 33.194,318 91.695,321 63.493,325 0.914,326 20.279,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 39,338 128,339 4.586,340 4.215,341 6.972,342 4.294,343 3.309,344 4.129,345 2.95,346 11.743,347 3.266,348 3.624,349 3.98,350 5.701,351 3.446,352 2.529,353 2.969,354 1.225,355 7.563,356 2.315,357 3.552,358 3.022,359 5.541,360 3.164,361 2.144,362 2.62,363 0.842,364 6.63,365 2.179,366 3.237,367 2.822,368 5.241,369 2.987,370 2.022,371 2.324,372 0.308,373 6.314,374 1.932,375 2.842,376 2.605,377 3.778,378 2.361,379 1.445,380 1.97,382 3.128,383 1.36,384 2.512,385 2.427,386 3.641,387 2.256,388 1.354,389 1.507,391 2.955,392 1.154,393 2.383,394 1.804,395 3.546,396 1.938,397 1,398 1.264,400 2.299,401 0.924,402 2,403 1.322,404 3.247,405 1.911,406 0.92,407 1,409 2.136,410 0.9,411 1.865,412 1.093,413 3.083,414 1.373,415 0.326,416 0.448,418 0.785,419 0.332,420 0.942,421 0.381,422 2.528,423 0.644,424 -0.32,425 -0.385,427 -0.768,428 -0.307,429 0.67,430 0.194,431 2.312,432 0.304,433 -0.686,434 -0.84,436 -1.621,437 -0.67,438 0.518,439 -0.019,440 2,441 0.094,442 -0.898,443 -1,445 -2.153,446 -0.783,447 0.171,448 -0.591,449 1.555,450 -0.173,451 -1,452 -1.206,454 -2.347,455 -0.891,457 -0.827,458 1.548,459 -0.194,460 -1.18,461 -1.435,463 -3.01,464 -1.142,465 -0.124,466 -1.032,467 1.439,468 -0.34,469 -1.38,470 -1.959,472 -3.746,473 -1.49,474 8.8,475 0.489,476 0.401,477 0.022,478 21.5,479 1.194,480 9.5,481 0.528,482 12,483 0.667,484 13.9,485 0.772,486 19.4,487 0.606,488 13.107,489 0.728,490 3.771,491 0.209,492 5,493 0.278,494 0.076,496 0.318,501 0.614,502 1.35,503 0.697,504 0.962,505 0.465,506 0.931,507 0.799,508 1.025,509 1.22,510 1.086,511 0.525,512 0.93,513 0.72,514 1.224,515 1.041,516 1.18,517 0.591,518 1.071,519 0.953,520 1.003,521 0.69,522 0.804,523 0.863,524 0.953,525 1.322,526 0.797,527 0.896,528 0.792,529 1.37,530 0.792,531 1.499,532 0.94,533 0.979,534 0.926,535 1.727,536 1.121,537 1.494,538 0.943,539 1.157,540 1.077,541 1.812,542 1.203,543 0.915,544 0.905,545 1.183,546 1.154,547 1.128,548 1.135,549 2.5,551 2,552 1.924,553 0.773,554 0.622,555 0.195,556 0.112,557 0.053,559 2679,560 7724,561 2.12,562 43.8,564 12,565 2,572 1.591,573 2,574 2.839,575 -0.709,577 1,578 1,579 1,582 54.591,583 1.706,584 3.274,585 4,586 4.25,587 4.313,588 4.313,589 2.177,590 3.308,591 4.143,592 2.915,593 446.068,594 7.051,595 4110.88,596 1,597 1,599 1,600 160,601 1.352,602 4.109,603 0.125,605 0.071,606 0.069,607 0.035,608 0.031,609 0.011,610 0.009,611 0.011,613 0.363,614 0.67,615 1,616 0.584,617 74.744,618 -0.015,619 -0.232,620 0.077,621 -0.019,622 0.003,623 -0.007,624 -0.016,625 0.138,626 -0.159,627 -0.039,628 0.015,629 0.003,630 0.18,631 -0.205,632 -0.097,633 -0.224,634 0.232,635 -0.124,637 -0.08,638 0.05,639 -0.023,640 0.033,641 -0.019,642 -0.085,643 0.128,644 0.034,645 0.097,646 -0.08,647 0.152,648 -0.273,649 -0.028,650 -0.169,651 -0.036,652 -0.281,653 -0.191,654 -0.235,655 -0.046,656 -0.104,657 -0.037,658 -0.298,659 -0.224,660 -0.018,661 -0.047,662 0.061,663 -0.003,664 -0.123,665 -0.058,666 2.061,667 4.98,668 0.833,669 10.58,670 1.007,671 1.12,672 1.645,673 2.706,674 0.692,675 3.045,676 3.367,677 3.689,678 3.97,679 4.174,680 4.127,681 4.205,682 4.248,683 4.111,684 3.97,685 4.306,686 0.651,687 262.36,688 3.045,689 4.575,690 5.442,691 6.33,692 7.22,693 8.119,694 9.018,695 9.922,696 10.827,697 11.734,698 6.3,701 1,705 1,715 4,720 2,722 6,727 1,741 32,743 8,744 1,745 20,747 34,748 13,749 6,750 2,751 4,752 2,756 3,757 4,772 8,773 5,777 2,782 2,786 2,789 1,790 1,793 14,794 4,796 5,797 1,802 2,808 0.667,809 2,828 1,829 2,832 1,844 1,855 1,859 2,860 1,862 1,868 18,876 5,879 1,881 2,893 6.3,896 2,901 9,902 5.733,903 3.972,904 1.938,907 1.394,908 1.215,909 0.992,910 3.205,911 7.888,912 3.258,913 3.75,914 4.301,915 4.778,916 5.237,917 5.318,918 5.565,919 5.722,920 5.599,921 5.504,922 0.8,923 28,924 6.724,926 2.949,927 0.026,929 7.833,931 12.918,933 10.925,936 2.333,937 42,938 0.002,941 164.795,942 93.593,943 6.249,945 50.29,947 32.22,948 61.373,949 215.085,950 6.249,952 10.812,953 37.905,954 60.128,955 9.067,956 23.542,957 173.473,959 164.795,960 67.622,961 50.29,962 32.22,964 164.795,965 50.29,968 13.936,969 53.685,971 32.22,972 164.795,973 56.538,974 93.593,977 164.795,978 55.688,979 44.154,981 50.29,982 164.795,983 56.538,984 93.593,986 0.579,987 0.353,988 0.199,989 0.11,990 15,991 6,992 0.059,993 2,994 1,995 1.133,996 3.046,997 133.499,998 0.133,999 15,1000 71.059,1001 1,1005 11.908,1006 4.845,1007 2.13,1009 56.538,1010 7.229,1015 1.291,1018 314.927,1019 25,1024 23.815,1028 -0.772,1031 32.236,1032 35.827,1034 0.341,1035 0.655,1036 0.8,1037 0.85,1038 0.863,1039 0.863,1040 4.505,1041 0.92,1042 5.425,1043 2.299,1044 4.043,1045 4.431,1046 3.116,1047 6.271,1048 3.96,1049 5.667,1050 0.326,1051 7.004,1052 2.136,1053 3.611,1054 4.159,1055 0.57,1056 7.252,1057 3.55,1058 6.96,1059 -0.32,1060 8.693,1061 0.785,1062 5.652,1063 6.48,1064 5.056,1065 10.429,1066 5.521,1067 8.292,1068 -0.686,1069 10.449,1070 -0.768,1071 6.111,1072 7.102,1073 0.889,1074 12.308,1075 6.017,1076 9.667,1077 -0.898,1078 12.248,1079 -1.621,1080 7.613,1081 8.903,1082 7.189,1083 15.007,1084 7.462,1085 11.074,1086 -1,1087 14.078,1088 -2.153,1089 8.489,1090 9.941,1091 1.233,1092 17.248,1093 8.365,1094 12.506,1095 -1.18,1096 15.929,1097 -2.347,1098 9.786,1099 11.535,1100 9.348,1101 19.792,1102 9.627,1103 3.309,1104 -1.38,1105 17.798,1106 -3.01,1107 10.847,1108 12.769,1109 1.618,1110 22.173,1111 10.702,1112 2.529,1113 11.743,1114 19.68,1115 -3.746,1116 12.072,1117 14.274,1118 11.511,1119 24.665,1120 11.905,1121 2.144,1122 7.563,1123 21.572,1124 4.129,1125 13.212,1126 15.601,1127 2.03,1128 27.098,1129 13.047,1130 2.022,1131 6.63,1132 23.474,1133 2.969,1134 14.413,1135 17.063,1136 13.675,1137 29.571,1138 14.234,1139 1.445,1140 6.314,1141 25.384,1142 2.62,1143 15.585,1144 18.435,1145 2.456,1146 32.024,1147 15.401,1148 1.354,1149 3.128,1150 27.299,1151 2.324,1152 16.78,1153 19.875,1154 15.838,1155 34.49,1156 16.584,1157 1,1158 2.955,1159 29.219,1160 1.97,1161 17.966,1162 21.27,1163 2.887,1164 36.95,1165 17.761,1166 2619,1167 4525,1168 13.523,1169 22.137,1170 30.7,1171 34.793,1172 31.1,1173 30.179,1174 30.098,1175 36.464,1176 10.65,1177 87.103,1178 28.724,1179 5.586,1180 6.215,1181 6.774,1182 5.438,1183 5.309,1184 7.129,1185 5.9,1186 18.957,1187 5.266,1188 6.68,1189 1.535,1190 1.74,1191 1.555,1192 1.509,1193 1.505,1194 1.823,1195 0.533,1196 4.355,1197 1.436,1198 4.021,1199 4.047,1200 4.003,1201 3.92,1202 7.497,1203 3.93,1204 3.754,1205 3.813,1206 3.91,1207 3.66,1208 7.352,1209 3.604,1210 3.451,1211 3.474,1212 3.416,1213 3.277,1214 4.715,1215 3.298,1216 3.123,1217 3.206,1218 3.196,1219 2.957,1220 4.294,1221 2.936,1222 3.111,1223 3.171,1224 2.866,1225 2.941,1226 3.861,1227 2.91,1228 2.835,1229 2.901,1230 2.813,1231 2.712,1232 3.615,1233 2.679,1234 2.605,1235 2.632,1236 2.546,1237 2.418,1238 3.474,1239 2.443,1240 2.542,1241 2.613,1242 2.465,1243 2.348,1244 3.433,1245 2.287,1246 0.229,1247 0.211,1248 0.349,1249 0.215,1250 0.165,1251 4.586,1252 0.206,1253 4.215,1254 0.148,1255 6.972,1256 0.587,1257 4.294,1258 0.163,1259 3.309,1260 4.129,1261 2.95,1262 11.743,1263 3.266,1264 1.883,1265 1.859,1266 1.987,1267 1.983,1268 1.282,1269 1.99,1270 1.73,1271 1.676,1272 1.896,1273 1.907,1274 1.086,1275 1.924,1276 1.407,1277 1.393,1278 1.516,1279 1.65,1280 0.825,1281 1.611,1282 1.153,1283 1.064,1284 1.513,1285 1.376,1286 0.754,1287 1.429,1288 1.097,1289 1.05,1290 1.273,1291 1.31,1292 0.31,1293 1.314,1294 0.811,1295 0.75,1296 1.073,1297 0.995,1298 0.237,1299 1.03,1300 0.739,1301 0.69,1302 0.979,1303 0.966,1304 0.133,1305 0.989,1306 0.47,1307 0.368,1308 0.862,1309 0.757,1311 0.818,1312 3.714,1314 5.03,1315 2.398,1316 6.561,1317 4.949,1318 8.182,1319 7.195,1320 9.851,1328 4.674,1331 1.931,1333 3.831,1340 20.82,1341 54.591,1342 104.781,1343 128,1344 136,1345 138,1346 138,1347 29.33,1348 6.494,1349 42.31,1350 67.61,1351 17,1352 12.252,1353 3.17,1354 2.585,1355 25.603,1356 45,1357 46,1358 0.285,1359 131.366,1360 230.37,1361 312.292,1362 4782,1364 12.535,1365 0.696,1366 0.599,1367 12.889,1368 10.781,1369 8.771,1370 0.439,1371 0.359,1372 6.041,1373 7.943,1374 5.815,1375 4.738,1376 9.271,1377 7.18,1378 7.734,1379 0.276,1380 0.203,1381 8.264,1382 5.676,1383 6.935,1384 0.178,1385 0.109,1386 7.389,1387 4.266,1388 5.74,1389 0.11,1390 0.064,1391 6.261,1392 3.31,1393 4.717,1394 0.074,1395 0.038,1396 5.208,1397 2.445,1398 0.424,1399 59.93,1400 0.272,1401 17.719,1402 0.85,1403 96,1404 291.622,1405 124.145,1406 296.861,1407 395.26,1408 278,1409 115,1410 265.278,1411 139.897,1412 275.899,1413 411.43,1414 259,1415 4}
{0 CHEMBL222849,1 1.62,2 7.111,3 0.685,4 0.469,5 65.494,6 7.697,7 0.3,8 3.596,9 3.701,10 3.199,11 3.086,12 4.682,13 3.095,14 4.183,15 4.352,16 3.556,17 3.481,18 5.25,19 3.478,20 4.394,21 4.586,22 3.611,23 3.592,24 5.614,25 3.552,26 4.406,27 4.644,28 3.408,29 3.5,30 5.458,31 3.42,32 4.297,33 4.533,34 3.301,35 3.337,36 5.444,37 3.284,38 4.063,39 4.233,40 3.147,41 3.263,42 5.23,43 3.204,44 4.031,45 4.218,46 2.926,47 3.085,48 5.265,49 2.999,50 3.72,51 3.978,52 2.262,53 2.608,54 4.804,55 2.438,56 0.05,57 0.474,58 6.215,59 2.856,60 6.193,61 3.606,62 0.326,63 0.782,64 13.519,65 4.485,66 18.174,67 5.857,68 0.464,69 0.894,70 17.596,71 5.957,72 52.858,73 8.097,74 0.353,75 0.873,76 18.836,77 6.05,78 38.722,79 8.705,80 0.49,81 0.721,82 17.889,83 5.21,84 51.405,85 7.16,86 0.264,87 0.598,88 12.487,89 4.683,90 42.794,91 5.785,92 0.378,93 0.523,94 12.924,95 4.457,96 54.72,97 5.585,98 0.307,99 0.35,100 10.476,101 3.293,102 38.735,103 4.582,104 5,105 28,106 0.306,107 0.62,108 0.757,109 0.804,110 0.816,111 0.816,112 2.962,113 0.904,114 -2.09,115 -2.13,116 -2.12,121 40.6,127 4,128 1,144 4,145 1,146 1,159 1,160 1,176 4,179 2,180 3,187 4,191 3,192 4,200 2,205 1,206 7,218 2,219 5,232 1,243 1,244 2,255 1,256 2,269 1,281 356,282 12.328,283 12.328,284 12.328,285 12.328,286 12.328,287 11.442,288 15.505,289 7.348,290 12.645,291 9.863,292 9.863,293 9.863,294 9.863,295 9.863,296 8.399,297 20.518,298 3.49,299 10.321,300 3.38,301 1.726,302 1,303 0.75,304 0.688,305 0.688,306 3.64,311 1,312 1,313 278,314 2,317 33.194,318 91.695,321 63.493,325 0.914,326 23.32,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 40,338 128,339 4.586,340 3.981,341 6.972,342 4.294,343 3.309,344 4.129,345 1.225,346 11.743,347 3.266,348 3.624,349 3.045,350 5.701,351 3.45,352 2.529,353 2.969,354 0.86,355 7.563,356 2.325,357 3.552,358 2.865,359 5.541,360 3.164,361 2.144,362 2.62,363 0.842,364 6.63,365 2.179,366 3.237,367 2.703,368 5.241,369 2.991,370 2.022,371 2.324,372 0.308,373 6.314,374 1.941,375 2.842,376 2.168,377 3.778,378 2.362,379 1.445,380 1.97,382 3.128,383 1.36,384 2.512,385 1.776,386 3.641,387 2.309,388 1.354,389 1.507,391 2.955,392 1.242,393 2.383,394 1.322,395 3.546,396 1.952,397 1,398 1.264,400 2.299,401 0.946,402 2,403 1.256,404 3.247,405 1.916,406 0.92,407 1,409 2.136,410 0.909,411 1.865,412 1.081,413 3.083,414 1.379,415 0.326,416 0.448,418 0.785,419 0.335,420 0.942,421 0.13,422 2.528,423 0.655,424 -0.32,425 -0.385,427 -0.768,428 -0.312,429 0.67,430 -0.019,431 2.312,432 0.31,433 -0.686,434 -0.84,436 -1.621,437 -0.675,438 0.518,439 -0.36,440 2,441 0.097,442 -0.898,443 -1,445 -2.153,446 -0.846,447 0.171,448 -0.662,449 1.555,450 -0.149,451 -1,452 -1.206,454 -2.347,455 -0.892,457 -0.827,458 1.548,459 -0.168,460 -1.18,461 -1.435,463 -3.01,464 -1.149,465 -0.124,466 -1.053,467 1.439,468 -0.337,469 -1.38,470 -1.959,472 -3.746,473 -1.491,474 8.3,475 0.461,476 0.401,477 0.022,478 22,479 1.222,480 9.5,481 0.528,482 12.5,483 0.694,484 12.183,485 0.677,486 19.9,487 0.622,488 14.825,489 0.824,490 4.56,491 0.253,492 4.211,493 0.234,494 0.08,496 0.337,501 0.696,502 1.565,503 0.704,504 1.239,505 0.498,506 1.015,507 1.06,508 0.945,509 0.944,510 0.826,511 0.616,512 0.831,513 0.818,514 1.088,515 0.935,516 1.023,517 0.638,518 1.004,519 0.78,520 1.114,521 0.934,522 1.062,523 0.836,524 1.03,525 1.167,526 0.695,527 0.952,528 0.711,529 1.353,530 0.766,531 1.29,532 1.083,533 1.229,534 1.208,535 1.678,536 1.216,537 1.319,538 1.052,539 1.315,540 1.242,541 1.707,542 1.29,543 0.956,544 0.893,545 1.119,546 1.071,547 1.052,548 1.142,549 2.5,551 2,552 1.924,553 0.773,554 0.622,555 0.195,556 0.112,557 0.053,559 2679,560 7724,561 2.12,562 43.8,564 12,565 2,572 1.591,573 2,574 2.839,575 -0.709,577 1,579 1,582 51.836,583 1.62,584 3.274,585 4,586 4.25,587 4.313,588 4.313,589 2.177,590 3.308,591 4.143,592 2.915,593 446.068,594 7.051,595 4110.88,597 1,600 160,601 1.352,602 4.109,603 0.125,605 0.071,606 0.069,607 0.035,608 0.031,609 0.011,610 0.009,611 0.011,613 0.363,614 0.83,615 1,616 0.584,617 74.744,618 -0.033,619 -0.36,620 0.073,621 -0.162,622 -0.009,623 -0.048,624 -0.123,625 0.202,626 -0.042,627 0.128,628 -0.032,629 0.078,630 0.102,631 -0.055,633 -0.052,634 0.193,635 -0.051,636 0.005,637 -0.141,638 0.031,639 -0.113,640 0.034,641 -0.046,642 -0.067,643 0.23,644 0.081,645 0.212,646 -0.095,647 0.189,648 -0.226,649 -0.119,650 -0.296,651 -0.192,652 -0.282,653 -0.249,654 -0.084,655 -0.176,656 -0.318,657 -0.256,658 -0.218,659 -0.33,660 0.114,661 -0.122,662 -0.057,663 -0.114,664 -0.017,665 -0.128,666 2.095,667 4.954,668 0.833,669 10.58,670 1.015,671 1.129,672 0.857,673 0.735,674 0.654,675 3.045,676 3.367,677 3.689,678 3.97,679 4.174,680 4.127,681 4.205,682 4.248,683 4.111,684 3.97,685 4.306,686 0.636,687 246.29,688 3.045,689 4.575,690 5.442,691 6.33,692 7.22,693 8.119,694 9.018,695 9.922,696 10.827,697 11.734,698 6.3,701 1,705 1,715 4,720 2,722 6,727 1,741 32,743 8,744 1,745 20,747 34,748 13,749 6,750 2,751 4,752 2,756 3,757 4,772 8,773 5,777 2,782 2,786 2,790 1,793 14,794 5,796 5,802 2,808 0.667,809 3,828 1,829 2,832 1,844 1,855 1,858 1,859 2,868 18,876 5,878 1,881 2,893 9.4,896 2,897 1,901 9,902 5.733,903 3.972,904 1.938,907 1.394,908 1.215,909 0.979,910 2.958,911 7.888,912 3.258,913 3.75,914 4.301,915 4.778,916 5.237,917 5.318,918 5.565,919 5.722,920 5.599,921 5.504,922 0.8,923 28,924 6.712,926 2.94,927 0.026,929 7.926,931 12.714,933 10.592,936 2.426,937 43.667,938 0.001,941 164.795,942 68.758,943 6.249,945 61.29,948 68.758,949 226.085,950 6.249,952 18.197,953 37.905,954 71.128,955 9.067,956 23.542,957 141.253,959 164.795,960 75.007,961 61.29,964 164.795,965 50.29,966 11,968 21.322,969 53.685,972 164.795,973 67.538,974 68.758,977 164.795,978 30.854,979 44.154,981 61.29,982 164.795,983 67.538,984 68.758,986 0.579,987 0.353,988 0.199,989 0.11,990 15,991 6,992 0.059,993 2,994 1,995 1.133,996 3.046,997 133.499,998 0.133,999 15,1000 71.059,1005 11.54,1006 4.614,1007 2.004,1009 67.538,1010 7.146,1015 1.231,1018 301.092,1019 25,1024 23.769,1028 -0.832,1031 32.487,1032 36.116,1034 0.324,1035 0.655,1036 0.8,1037 0.85,1038 0.863,1039 0.863,1040 4.505,1041 0.92,1042 5.425,1043 2.299,1044 4.043,1045 4.431,1046 1.893,1047 6.271,1048 3.974,1049 5.667,1050 0.326,1051 7.004,1052 2.136,1053 3.611,1054 4.159,1055 0.57,1056 7.252,1057 3.55,1058 6.96,1059 -0.32,1060 8.693,1061 0.785,1062 5.652,1063 6.48,1064 1.879,1065 10.429,1066 5.533,1067 8.292,1068 -0.686,1069 10.449,1070 -0.768,1071 6.111,1072 7.102,1073 0.889,1074 12.308,1075 6.017,1076 9.667,1077 -0.898,1078 12.248,1079 -1.621,1080 7.613,1081 8.903,1082 2.004,1083 15.007,1084 7.47,1085 11.074,1086 -1,1087 14.078,1088 -2.153,1089 8.489,1090 9.941,1091 1.233,1092 17.248,1093 8.366,1094 12.506,1095 -1.18,1096 15.929,1097 -2.347,1098 9.786,1099 11.535,1100 2.212,1101 19.792,1102 9.632,1103 3.309,1104 -1.38,1105 17.798,1106 -3.01,1107 10.847,1108 12.769,1109 1.618,1110 22.173,1111 10.703,1112 2.529,1113 11.743,1114 19.68,1115 -3.746,1116 12.072,1117 14.274,1118 2.476,1119 24.665,1120 11.908,1121 2.144,1122 7.563,1123 21.572,1124 4.129,1125 13.212,1126 15.601,1127 2.03,1128 27.098,1129 13.047,1130 2.022,1131 6.63,1132 23.474,1133 2.969,1134 14.413,1135 17.063,1136 2.779,1137 29.571,1138 14.235,1139 1.445,1140 6.314,1141 25.384,1142 2.62,1143 15.585,1144 18.435,1145 2.456,1146 32.024,1147 15.401,1148 1.354,1149 3.128,1150 27.299,1151 2.324,1152 16.78,1153 19.875,1154 3.109,1155 34.49,1156 16.585,1157 1,1158 2.955,1159 29.219,1160 1.97,1161 17.966,1162 21.27,1163 2.887,1164 36.95,1165 17.761,1166 2619,1167 4525,1168 13.523,1169 20.943,1170 30.7,1171 32.366,1172 31.1,1173 30.174,1174 30.098,1175 36.464,1176 6.47,1177 87.103,1178 29.008,1179 5.586,1180 5.981,1181 6.774,1182 5.398,1183 5.309,1184 7.129,1185 2.326,1186 18.957,1187 5.266,1188 6.68,1189 1.535,1190 1.618,1191 1.555,1192 1.509,1193 1.505,1194 1.823,1195 0.324,1196 4.355,1197 1.45,1198 4.022,1199 4.048,1200 3.987,1201 3.919,1202 7.497,1203 3.93,1204 3.771,1205 3.828,1206 3.653,1207 3.554,1208 7.352,1209 3.57,1210 3.453,1211 3.478,1212 3.391,1213 3.263,1214 4.72,1215 3.292,1216 3.138,1217 3.206,1218 3.023,1219 2.941,1220 4.618,1221 2.914,1222 3.111,1223 3.185,1224 2.866,1225 2.897,1226 4.031,1227 2.91,1228 2.845,1229 2.909,1230 2.711,1231 2.663,1232 3.659,1233 2.659,1234 2.605,1235 2.652,1236 2.545,1237 2.417,1238 3.611,1239 2.443,1240 2.562,1241 2.613,1242 2.389,1243 2.221,1244 3.474,1245 2.24,1246 0.229,1247 0.199,1248 0.349,1249 0.215,1250 0.165,1251 4.586,1252 0.206,1253 3.981,1254 0.061,1255 6.972,1256 0.587,1257 4.294,1258 0.163,1259 3.309,1260 4.129,1261 1.225,1262 11.743,1263 3.266,1264 1.883,1265 1.859,1266 1.99,1267 2.002,1268 1.234,1269 1.997,1270 1.718,1271 1.657,1272 1.928,1273 1.934,1274 1.082,1275 1.938,1276 1.402,1277 1.388,1278 1.531,1279 1.673,1280 0.825,1281 1.62,1282 1.153,1283 1.064,1284 1.513,1285 1.376,1286 0.728,1287 1.429,1288 1.091,1289 1.042,1290 1.28,1291 1.344,1292 0.299,1293 1.326,1294 0.807,1295 0.745,1296 1.074,1297 1.039,1298 0.191,1299 1.04,1300 0.73,1301 0.679,1302 1.014,1303 0.976,1304 0.125,1305 1.001,1306 0.457,1307 0.348,1308 0.868,1309 0.793,1311 0.828,1312 3.714,1314 5.03,1315 2.398,1316 6.561,1317 4.949,1318 8.182,1319 7.195,1320 9.851,1328 3.403,1330 5.27,1333 3.68,1340 20.348,1341 51.836,1342 104.781,1343 128,1344 136,1345 138,1346 138,1347 29.535,1348 6.494,1349 51.54,1350 51.54,1351 17,1352 12.252,1353 3.17,1354 2.585,1355 25.603,1356 45,1357 46,1358 0.285,1359 124.231,1360 220.65,1361 294.884,1362 4782,1364 12.535,1365 0.696,1366 0.554,1367 12.535,1368 9.964,1369 8.771,1370 0.439,1371 0.301,1372 5.901,1373 8.311,1374 5.815,1375 4.738,1376 8.771,1377 6.025,1378 7.734,1379 0.276,1380 0.159,1381 7.734,1382 4.451,1383 6.935,1384 0.178,1385 0.085,1386 6.935,1387 3.324,1388 5.74,1389 0.11,1390 0.045,1391 5.74,1392 2.331,1393 4.717,1394 0.074,1395 0.025,1396 4.717,1397 1.599,1398 0.424,1399 55.93,1400 0.272,1401 17.719,1402 0.85,1403 96,1404 320.497,1405 108.081,1406 296.861,1407 395.26,1408 278,1409 115,1410 275.543,1411 128.747,1412 275.899,1413 411.43,1414 259,1415 4}
{0 CHEMBL222851,1 1.52,2 8.7,3 2.802,4 7.852,5 77.724,6 7.833,7 0.545,8 3.632,9 3.741,10 3.246,11 3.228,12 4.796,13 3.213,14 4.133,15 4.287,16 3.609,17 3.602,18 5.282,19 3.574,20 4.353,21 4.526,22 3.673,23 3.681,24 5.659,25 3.635,26 4.393,27 4.61,28 3.444,29 3.562,30 5.545,31 3.477,32 4.271,33 4.507,34 3.253,35 3.34,36 5.465,37 3.269,38 3.974,39 4.186,40 3.119,41 3.228,42 5.136,43 3.172,44 3.894,45 4.077,46 3.116,47 3.245,48 5.111,49 3.176,50 3.876,51 4.091,52 2.903,53 3.116,54 5.047,55 3.025,56 0.021,57 0.476,58 6.043,59 2.948,60 5.173,61 3.649,62 0.144,63 0.782,64 11.367,65 4.828,66 11.585,67 6.184,68 0.244,69 0.922,70 15.251,71 6.123,72 44.599,73 7.925,74 0.221,75 0.933,76 17.505,77 6.483,78 37.628,79 8.546,80 0.315,81 0.787,82 16.985,83 5.609,84 53.67,85 7.227,86 0.195,87 0.61,88 11.703,89 4.051,90 31.311,91 5.108,92 0.091,93 0.542,94 9.973,95 4.313,96 20.998,97 5.449,98 0.156,99 0.52,100 10.725,101 4.121,102 28.939,103 5.212,104 10,105 31,106 0.278,107 0.589,108 0.719,109 0.827,110 0.852,111 0.852,112 3.058,113 0.876,114 -4.06,115 -4.01,116 -3.8,121 47.1,122 1,128 1,144 8,145 2,146 2,159 1,160 1,176 9,179 1,180 3,183 1,185 2,187 10,191 2,192 4,197 2,200 6,206 7,209 1,211 3,219 5,222 1,224 3,232 3,237 1,239 4,244 5,251 8,256 3,264 8,269 2,277 6,281 484,282 13.483,283 13.483,284 13.483,285 13.483,286 13.483,287 11.821,288 16.704,289 7.878,290 13.6,291 10.812,292 10.812,293 10.812,294 10.812,295 10.812,296 8.243,297 23.077,298 3.721,299 10.974,300 3.568,301 1.871,302 1.162,303 0.574,304 0.434,305 0.434,306 3.736,310 1,311 1,312 1,313 376,314 2.345,317 40.438,318 110.853,321 76.682,325 1.16,326 20.986,328 1,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 43,338 174,339 4.583,340 3.979,341 6.968,342 4.29,343 3.303,344 4.128,345 1.219,346 11.718,347 3.264,348 4.011,349 2.993,350 5.64,351 3.601,352 2.618,353 3.614,354 0.557,355 7.261,356 2.574,357 3.607,358 2.799,359 5.538,360 3.185,361 2.203,362 2.967,363 0.21,364 6.922,365 2.184,366 3.449,367 2.717,368 5.4,369 3.136,370 2.123,371 2.715,373 6.598,374 2.11,375 3.313,376 2.341,377 4.886,378 2.997,379 2.014,380 2.468,382 5.676,383 1.969,384 2.842,385 1.886,386 3.788,387 2.361,388 1.354,389 1.97,391 2.963,392 1.36,393 2.5,394 1.335,395 3.64,396 2.044,397 1.069,398 1.5,400 2.655,401 1.039,402 2.462,403 1.249,404 3.414,405 2,406 1,407 1.412,409 2.275,410 1,411 2.16,412 1,413 3.297,414 1.706,415 0.69,416 0.905,418 1.608,419 0.69,420 1.537,421 0.724,422 2.799,423 1.151,424 0.113,425 0.154,427 0.26,428 0.116,429 1.037,430 0.09,431 2.373,432 0.716,433 -0.282,434 -0.359,436 -0.619,437 -0.281,438 0.763,439 -0.019,440 2.167,441 0.346,442 -0.66,443 -0.854,445 -1.612,446 -0.657,447 0.561,448 -0.578,449 2,450 0.101,451 -0.896,452 -1.236,454 -2.182,455 -0.893,456 0.5,457 -0.827,458 2,460 -1,461 -1.424,463 -2.861,464 -1,465 0.197,466 -0.966,467 1.638,468 -0.149,469 -1.151,470 -1.5,472 -3,473 -1.127,474 9.467,475 0.473,476 0.507,477 0.025,478 28.75,479 1.438,480 16,481 0.8,482 12.75,483 0.638,484 11.933,485 0.597,486 20.533,487 0.604,488 19.414,489 0.971,490 5.887,491 0.294,492 3.777,493 0.189,494 0.123,496 0.359,501 0.637,502 1.201,503 0.721,504 0.97,505 0.526,506 0.872,507 0.651,508 0.999,509 0.793,510 0.91,511 0.573,512 0.871,513 0.737,514 1.213,515 0.922,516 1.13,517 0.687,518 1.063,519 1.007,520 1.239,521 1.087,522 1.181,523 0.967,524 1.152,525 1.448,526 0.919,527 1.048,528 0.849,529 1.479,530 0.878,531 1.393,532 0.715,533 1.052,534 0.713,535 1.24,536 0.789,537 0.955,538 0.944,539 0.936,540 1.041,541 1.003,542 1.003,543 1.256,544 0.756,545 1.08,546 0.892,547 1.314,548 0.949,549 3.5,550 0.025,551 2.667,552 1.986,553 0.804,554 0.57,555 0.375,556 0.203,557 0.153,558 0.123,559 3805,560 10291,561 2.077,562 41.2,563 3,564 8,565 2,567 1,572 1.616,573 1.935,574 3.076,575 -0.32,577 1,579 1,582 51.671,583 1.52,584 3.217,585 3.925,586 4.514,587 4.653,588 4.653,589 2.446,590 3.922,591 4.295,592 3.202,593 608.303,594 7.33,595 6171.7,596 1,597 1,598 1,599 1,600 172.974,601 1.441,602 4.248,603 0.159,604 0.006,605 0.086,606 0.064,607 0.035,608 0.03,609 0.021,610 0.011,611 0.011,612 0.014,613 0.437,614 0.83,615 1,616 0.627,617 88.292,618 -0.037,619 -0.108,620 0.038,621 -0.013,622 -0.054,623 0.018,624 0.09,625 0.092,626 0.052,627 0.03,628 0.003,629 0.033,630 0.204,631 -0.189,632 -0.007,633 -0.185,634 0.192,635 -0.139,636 -0.005,637 -0.258,638 -0.096,639 -0.234,640 -0.012,641 -0.192,642 -0.105,643 0.035,644 0.034,645 0.099,646 -0.097,647 0.089,648 -0.247,649 0.303,650 -0.052,651 0.231,652 -0.133,653 0.153,654 -0.053,655 -0.019,656 -0.005,657 -0.035,658 0.006,659 -0.015,660 -0.172,661 0.163,662 -0.076,663 0.102,664 -0.128,665 0.046,666 2.147,667 4.974,668 0.75,669 13.32,670 1.005,671 1.115,672 2.834,673 8.032,674 0.691,675 3.135,676 3.466,677 3.761,678 4.007,679 4.205,680 4.143,681 4.174,682 4.263,683 4.234,684 4.22,685 5.101,686 0.666,687 266.32,688 3.135,689 4.673,690 5.533,691 6.415,692 7.296,693 8.186,694 9.075,695 9.969,696 10.864,697 11.762,698 5.9,703 1,705 1,715 8,720 4,722 12,727 1,734 1,741 34,743 14,744 2,745 22,747 36,748 16,749 12,750 4,751 8,752 2,756 3,757 4,763 1,772 14,773 2,777 2,782 2,786 2,789 1,790 1,793 14,794 4,795 1,796 4,802 2,808 0.667,809 2,828 1,829 2,832 1,844 1,859 2,864 1,868 20,876 1,877 1,881 1,893 5.9,896 2,901 10.333,902 6.45,903 4.389,904 1.964,907 2.334,908 1.349,909 1.004,910 3.187,911 9.012,912 3.434,913 4.007,914 4.575,915 5.064,916 5.552,917 5.545,918 5.738,919 5.987,920 6.14,921 6.374,922 0.833,923 31,924 7.411,926 3.208,927 0.026,929 7.9,931 13.924,933 11.399,936 2.4,937 48,941 153.024,942 108.035,943 21.135,945 50.29,948 108.035,949 203.314,950 21.135,951 8.825,952 4.801,953 75.81,954 78.139,955 11.885,956 23.542,957 129.482,959 153.024,960 129.17,961 50.29,964 153.024,965 50.29,968 13.626,969 97.533,970 18.011,972 153.024,973 71.425,974 108.035,977 153.024,978 23.4,979 87.759,980 18.011,981 50.29,982 153.024,983 71.425,984 108.035,986 0.586,987 0.352,988 0.186,989 0.103,990 16,991 7,992 0.083,993 3,994 1,995 1.133,996 3.254,997 150.773,998 0.133,999 15,1000 82.439,1005 12.733,1006 5.006,1007 2.304,1009 71.425,1010 14.939,1015 3.235,1017 18.011,1018 332.484,1019 30,1024 23.818,1028 -0.919,1031 34.16,1032 37.907,1034 0.299,1035 0.632,1036 0.772,1037 0.887,1038 0.915,1039 0.915,1040 4.663,1041 1,1042 5.525,1043 2.655,1044 4.143,1045 4.691,1046 1.509,1047 6.358,1048 4.118,1049 5.868,1050 0.69,1051 7.102,1052 2.275,1053 3.761,1054 4.443,1055 0.325,1056 7.326,1057 3.734,1058 7.173,1059 0.113,1060 8.784,1061 1.608,1062 5.753,1063 6.834,1064 1.598,1065 10.465,1066 5.698,1067 8.515,1068 -0.282,1069 10.529,1070 0.26,1071 6.217,1072 7.388,1073 0.705,1074 12.324,1075 6.162,1076 9.891,1077 -0.66,1078 12.315,1079 -0.619,1080 7.69,1081 9.259,1082 1.817,1083 15.007,1084 7.611,1085 11.293,1086 -0.896,1087 14.131,1088 -1.612,1089 8.553,1090 10.201,1091 1.105,1092 17.24,1093 8.47,1094 12.715,1095 -1,1096 15.97,1097 -2.182,1098 9.834,1099 11.845,1100 2.087,1101 19.777,1102 9.733,1103 3.303,1104 -1.151,1105 17.828,1106 -2.861,1107 10.882,1108 12.993,1109 1.518,1110 22.155,1111 10.774,1112 2.618,1113 11.718,1114 19.701,1115 -3,1116 12.096,1117 14.524,1118 2.385,1119 24.643,1120 11.973,1121 2.203,1122 7.261,1123 21.586,1124 4.128,1125 13.225,1126 15.786,1127 1.94,1128 27.074,1129 13.093,1130 2.123,1131 6.922,1132 23.482,1133 3.614,1134 14.419,1135 17.258,1136 2.702,1137 29.545,1138 14.274,1139 2.014,1140 6.598,1141 25.386,1142 2.967,1143 15.584,1144 18.584,1145 2.365,1146 31.995,1147 15.428,1148 1.354,1149 5.676,1150 27.298,1151 2.715,1152 16.774,1153 20.026,1154 3.035,1155 34.46,1156 16.606,1157 1.069,1158 2.963,1159 29.215,1160 2.468,1161 17.954,1162 21.389,1163 2.791,1164 36.917,1165 17.775,1166 3712,1167 6223,1168 14.622,1169 23.489,1170 33.657,1171 35.245,1172 34.417,1173 33.032,1174 32.976,1175 43.668,1176 3.971,1177 95.871,1178 32.616,1179 5.506,1180 5.979,1181 6.646,1182 5.338,1183 5.303,1184 7.128,1185 2.319,1186 18.901,1187 5.264,1188 9.305,1189 1.53,1190 1.602,1191 1.564,1192 1.501,1193 1.499,1194 1.985,1195 0.18,1196 4.358,1197 1.483,1198 4.026,1199 4.052,1200 3.99,1201 3.926,1202 7.497,1203 3.936,1204 3.909,1205 3.94,1206 3.844,1207 3.846,1208 7.352,1209 3.841,1210 3.49,1211 3.541,1212 3.415,1213 3.3,1214 4.781,1215 3.326,1216 3.302,1217 3.35,1218 3.191,1219 3.107,1220 4.7,1221 3.115,1222 3.063,1223 3.139,1224 2.903,1225 2.876,1226 4.161,1227 2.872,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.818,1233 2.715,1234 2.829,1235 2.904,1236 2.65,1237 2.664,1238 3.674,1239 2.648,1240 2.605,1241 2.613,1242 2.544,1243 2.417,1244 3.616,1245 2.443,1246 0.208,1247 0.181,1248 0.317,1249 0.195,1250 0.15,1251 4.583,1252 0.188,1253 3.979,1254 0.055,1255 6.968,1256 0.533,1257 4.29,1258 0.148,1259 3.303,1260 4.128,1261 1.219,1262 11.718,1263 3.264,1264 1.918,1265 1.888,1266 2.042,1267 2.021,1268 1.144,1269 2.029,1270 1.877,1271 1.854,1272 1.981,1273 1.955,1274 1.088,1275 1.965,1276 1.474,1277 1.439,1278 1.65,1279 1.737,1280 0.806,1281 1.705,1282 1.247,1283 1.196,1284 1.488,1285 1.482,1286 0.574,1287 1.476,1288 1.077,1289 1.011,1290 1.292,1291 1.309,1292 0.295,1293 1.324,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 0.81,1301 0.744,1302 1.074,1303 1.013,1304 0.151,1305 1.031,1306 0.73,1307 0.672,1308 0.953,1309 0.972,1311 0.98,1312 3.807,1314 5.13,1315 2.398,1316 6.655,1317 4.949,1318 8.268,1319 7.195,1320 9.926,1322 2.017,1328 0.282,1329 3.159,1333 1.47,1340 22.633,1341 51.671,1342 109.364,1343 133.464,1344 153.464,1345 158.219,1346 158.219,1347 33.142,1348 6.678,1349 51.1,1350 51.1,1351 17,1352 12.286,1353 3.907,1354 3.17,1355 30.029,1356 60,1357 66,1358 0.247,1359 140.23,1360 244.94,1361 333.92,1362 6323,1364 14.113,1365 0.706,1366 0.554,1367 14.113,1368 11.09,1369 9.665,1370 0.439,1371 0.292,1372 6.35,1373 9.382,1374 6.17,1375 5.141,1376 9.665,1377 6.424,1378 8.698,1379 0.281,1380 0.154,1381 8.698,1382 4.78,1383 7.649,1384 0.182,1385 0.08,1386 7.649,1387 3.372,1388 6.065,1389 0.112,1390 0.042,1391 6.065,1392 2.247,1393 4.995,1394 0.076,1395 0.023,1396 4.995,1397 1.523,1398 0.38,1399 60.135,1400 0.262,1401 19.841,1402 0.691,1403 106,1404 315.449,1405 114.842,1406 307.173,1407 417.06,1408 286,1409 126,1410 303.484,1411 135.979,1412 309.557,1413 454.91,1414 291,1415 4}
{0 CHEMBL222856,1 1.326,2 26.125,3 7.555,4 57.081,5 200.784,6 5.852,7 0.245,8 4.754,9 4.901,10 4.087,11 4.21,12 5.667,13 4.139,14 5.356,15 5.594,16 4.328,17 4.58,18 6.148,19 4.467,20 5.609,21 5.865,22 4.42,23 4.766,24 6.396,25 4.615,26 5.772,27 6.054,28 4.377,29 4.814,30 6.543,31 4.636,32 5.768,33 6.059,34 4.331,35 4.821,36 6.48,37 4.625,38 5.802,39 6.107,40 4.248,41 4.798,42 6.486,43 4.59,44 5.725,45 6.026,46 4.167,47 4.746,48 6.41,49 4.522,50 5.701,51 6.023,52 4.154,53 4.669,54 6.351,55 4.45,56 0.124,57 1.535,58 28.573,59 11.066,60 18.113,61 16.212,62 0.577,63 2.365,64 50.258,65 16.921,66 38.609,67 25.758,68 0.488,69 2.858,70 62.805,71 22.537,72 54.956,73 33.607,74 0.879,75 3.088,76 73.027,77 24.552,78 86.187,79 37.062,80 0.627,81 3.125,82 71.548,83 25.073,84 68.738,85 38.002,86 0.769,87 3.076,88 73.403,89 25.067,90 75.32,91 38.021,92 0.742,93 2.882,94 67.625,95 24.658,96 70.547,97 36.617,98 0.545,99 2.722,100 65.04,101 22.933,102 60.91,103 34.765,104 69,105 60,106 0.191,107 0.394,108 0.608,109 0.714,110 0.754,111 0.754,112 3.894,113 1.123,114 -5.54,115 -5.42,116 -5.05,121 35.1,123 14,126 6,127 6,144 8,145 2,146 2,160 2,176 19,179 2,180 14,187 16,192 14,200 9,205 2,206 16,214 6,219 12,227 9,232 6,239 14,243 4,244 6,251 18,256 4,264 16,268 1,269 10,277 14,281 7084,282 32.329,283 32.329,284 32.329,285 32.329,286 32.329,287 30.566,288 37.142,289 20.215,290 33.058,291 24.048,292 24.048,293 24.048,294 24.048,295 24.048,296 21.246,297 41.265,298 9.477,299 24.95,300 5.507,301 4.095,302 2.615,303 1.873,304 1.601,305 1.601,306 4.567,313 2558,314 6.481,318 460.338,325 4.458,326 32.547,329 0.5,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.7,337 102,338 1254,339 4.204,340 3.7,341 6.153,342 3.833,343 2.867,344 3.805,345 1.94,346 9.086,347 2.768,348 4.204,349 3.7,350 6.153,351 3.833,352 2.867,353 3.805,354 1.94,355 9.086,356 2.768,357 3.897,358 3.177,359 5.872,360 3.68,361 2.711,362 3.063,363 0.916,364 7.931,365 2.62,366 3.897,367 3.177,368 5.872,369 3.679,370 2.71,371 3.063,372 0.916,373 7.931,374 2.62,375 3.341,376 2.654,377 5.04,378 3.213,379 2.29,380 2.387,381 0.86,382 6.064,383 2.113,384 3.341,385 2.654,386 5.04,387 3.212,388 2.29,389 2.387,390 0.86,391 6.064,392 2.113,393 2.934,394 2.234,395 4.282,396 2.901,397 1.901,398 2.087,399 0.555,400 4.067,401 1.898,402 2.917,403 2.219,404 4.282,405 2.754,406 1.768,407 2.087,408 0.555,409 4.026,410 1.737,411 2.917,412 1.944,413 4.15,414 2.677,415 1.695,416 1.947,417 0.172,418 3.961,419 1.661,420 2.852,421 1.944,422 4.13,423 2.55,424 1.568,425 1.937,426 0.172,427 3.89,428 1.54,429 2.836,430 1.794,431 3.814,432 2.481,433 1.531,434 1.916,436 3.511,437 1.445,438 2.784,439 1.677,440 3.648,441 2.466,442 1.496,443 1.789,445 3.128,446 1.439,447 2.659,448 1.676,449 3.629,450 2.425,451 1.431,452 1.662,454 3.043,455 1.42,456 2.545,457 1.493,458 3.596,459 2.382,460 1.392,461 1.532,463 2.981,464 1.375,465 2.444,466 1.493,467 3.544,468 2.279,469 1.284,470 1.396,472 2.838,473 1.271,474 22.933,475 0.478,476 0.842,477 0.018,478 45,479 0.938,480 16,481 0.333,482 29,483 0.604,484 61.448,485 1.28,486 58.067,487 0.509,488 36.265,489 0.756,490 8.508,491 0.177,492 14.736,493 0.307,494 0.16,496 0.201,501 0.797,502 1.694,503 1.067,504 1.465,505 0.587,506 1.317,507 1.188,508 1.057,509 1.118,510 1.012,511 0.66,512 1.036,513 0.967,514 1.21,515 1.059,516 1.182,517 0.952,518 1.135,519 1.273,520 1.008,521 1.089,522 0.992,523 1.481,524 1.02,525 0.91,526 1.085,527 1.039,528 1.075,529 1.018,530 1.069,531 1.113,532 0.912,533 1.038,534 0.934,535 1.07,536 0.97,537 0.781,538 0.981,539 1.02,540 1.052,541 1.036,542 1.065,543 0.721,544 0.963,545 0.825,546 0.934,547 0.832,548 0.899,549 7.5,550 0.273,551 4.667,552 2.375,553 1.964,554 1.083,555 0.568,556 0.431,557 0.337,558 0.211,559 60333,560 123953,561 1.939,562 57.9,563 16,564 38,568 4,569 8,572 1.832,573 1.823,574 4.593,575 -0.829,582 151.142,583 1.326,584 2.738,585 4.218,586 4.96,587 5.232,588 5.232,589 3.97,590 4.502,591 5.559,592 4.896,593 5522.76,594 9.803,595 143411,600 778.949,601 1.326,602 5.517,603 0.153,604 0.006,605 0.078,606 0.038,607 0.034,608 0.02,609 0.011,610 0.01,611 0.007,612 0.005,613 0.361,614 0.17,615 0.63,616 0.738,617 306.936,618 0.044,619 -0.298,620 0.049,621 -0.149,622 0.033,623 -0.066,624 -0.047,625 0.132,626 -0.035,627 0.056,628 0.025,629 0.022,630 -0.024,631 -0.117,632 -0.038,633 -0.109,634 0.016,635 -0.078,636 -0.068,637 -0.009,638 -0.067,639 -0.008,640 -0.108,641 -0.036,642 -0.046,643 -0.076,644 -0.058,645 -0.074,646 -0.052,647 -0.068,648 -0.102,649 0.046,650 -0.056,651 0.022,652 -0.08,653 -0.007,654 0.041,655 -0.016,656 -0.062,657 -0.06,658 -0.046,659 -0.073,660 0.046,661 -0.051,662 0.109,663 0.019,664 0.042,665 0.063,666 1.401,667 5.546,668 0.25,669 105.215,670 0.983,671 1.138,672 4.311,673 18.584,674 0.609,675 3.912,676 4.111,677 4.248,678 4.317,679 4.382,680 4.263,681 4.19,682 4.174,683 4.127,684 4.111,685 15.584,686 0.555,687 667.1,688 3.912,689 5.389,690 6.168,691 6.969,692 7.762,693 8.567,694 9.365,695 10.172,696 10.974,697 11.783,698 3.5,701 2,705 2,715 8,720 4,722 12,739 2,741 114,743 14,744 2,745 49,747 115,748 40,749 12,750 4,751 8,756 2,757 2,770 14,772 14,773 26,777 2,782 2,786 2,793 66,794 8,796 8,802 4,808 1,809 4,829 2,844 2,855 2,859 2,864 6,868 48,876 20,878 2,881 4,893 3.5,896 2,898 2,901 26.333,902 21.633,903 11.361,904 7.375,907 1.527,908 1.203,909 0.905,910 22.184,911 9.043,912 4.06,913 4.431,914 4.783,915 5.092,916 5.436,917 5.243,918 5.231,919 5.22,920 5.116,921 5.146,922 0.941,923 63,924 17.886,926 6.955,927 0.026,929 7.521,931 35.53,933 27.65,936 2.021,937 97,941 776.893,942 205.547,943 12.497,945 72.29,948 205.547,949 849.182,950 12.497,951 55.352,952 54.366,953 75.81,954 59.699,955 45.106,957 776.893,959 776.893,960 218.044,961 72.29,964 682.724,965 166.458,968 60.615,969 157.429,972 776.893,973 84.787,974 205.547,977 776.893,978 74.385,979 143.659,981 72.29,982 776.893,983 84.787,984 205.547,986 0.55,987 0.312,988 0.153,989 0.076,990 16,991 10,992 0.235,993 27,995 1,996 6.077,997 397.951,999 12,1000 220.078,1005 41.728,1006 25.519,1007 18.227,1009 84.787,1010 16.344,1015 4.288,1018 1067.23,1019 57,1024 25.092,1028 0.531,1031 112.108,1032 129.702,1034 0.194,1035 0.401,1036 0.617,1037 0.726,1038 0.766,1039 0.766,1040 5.252,1041 1.768,1042 6.084,1043 4.067,1044 4.796,1045 5.118,1046 3.013,1047 6.749,1048 4.727,1049 6.35,1050 1.695,1051 7.561,1052 4.026,1053 4.111,1054 4.635,1055 2.339,1056 7.413,1057 3.971,1058 7.577,1059 1.568,1060 9.142,1061 3.961,1062 6.248,1063 7.017,1064 3.737,1065 10.449,1066 6.106,1067 8.839,1068 1.531,1069 10.788,1070 3.89,1071 6.431,1072 7.417,1073 3.823,1074 11.997,1075 6.213,1076 10.139,1077 1.496,1078 12.478,1079 3.511,1080 7.966,1081 9.271,1082 4.841,1083 14.508,1084 7.75,1085 11.466,1086 1.431,1087 14.199,1088 3.128,1089 8.574,1090 10.09,1091 5.232,1092 16.412,1093 8.289,1094 12.814,1095 1.392,1096 15.94,1097 3.043,1098 9.841,1099 11.717,1100 6.078,1101 18.731,1102 9.552,1103 2.867,1104 1.284,1105 17.697,1106 2.981,1107 10.663,1108 12.751,1109 6.605,1110 20.789,1111 10.316,1112 2.867,1113 9.086,1114 19.464,1115 2.838,1116 11.805,1117 14.262,1118 7.363,1119 23.031,1120 11.446,1121 2.711,1122 9.086,1123 21.239,1124 3.805,1125 12.734,1126 15.414,1127 7.956,1128 25.16,1129 12.325,1130 2.71,1131 7.931,1132 23.02,1133 3.805,1134 13.818,1135 16.858,1136 8.669,1137 27.372,1138 13.389,1139 2.29,1140 7.931,1141 24.806,1142 3.063,1143 14.801,1144 18.08,1145 9.296,1146 29.534,1147 14.328,1148 2.29,1149 6.064,1150 26.596,1151 3.063,1152 15.859,1153 19.483,1154 9.985,1155 31.735,1156 15.361,1157 1.901,1158 6.064,1159 28.388,1160 2.387,1161 16.868,1162 20.748,1163 10.629,1164 33.914,1165 16.33,1166 59666,1167 85706,1168 31.781,1169 69.444,1170 68.448,1171 70.137,1172 70.826,1173 68.081,1174 68.013,1175 78.76,1176 17.779,1177 172.125,1178 65.669,1179 5.196,1180 5.7,1181 6.043,1182 4.858,1183 4.867,1184 6.805,1185 3.348,1186 15.258,1187 4.768,1188 29.686,1189 1.397,1190 1.431,1191 1.445,1192 1.389,1193 1.388,1194 1.607,1195 0.363,1196 3.513,1197 1.34,1198 3.982,1199 4.024,1200 3.903,1201 3.885,1202 7.429,1203 3.885,1204 3.922,1205 3.953,1206 3.859,1207 3.844,1208 7.425,1209 3.843,1210 3.85,1211 3.902,1212 3.735,1213 3.71,1214 4.877,1215 3.703,1216 3.792,1217 3.849,1218 3.681,1219 3.633,1220 4.847,1221 3.631,1222 3.736,1223 3.799,1224 3.578,1225 3.607,1226 4.396,1227 3.591,1228 3.67,1229 3.743,1230 3.527,1231 3.493,1232 4.392,1233 3.49,1234 3.603,1235 3.671,1236 3.473,1237 3.399,1238 4.306,1239 3.408,1240 3.506,1241 3.583,1242 3.339,1243 3.328,1244 4.258,1245 3.322,1246 0.086,1247 0.076,1248 0.126,1249 0.078,1250 0.059,1251 4.204,1252 0.078,1253 3.7,1254 0.04,1255 6.153,1256 0.185,1257 3.833,1258 0.056,1259 2.867,1260 3.805,1261 1.94,1262 9.086,1263 2.768,1264 1.911,1265 1.885,1266 2.056,1267 2.028,1268 1.411,1269 2.036,1270 1.911,1271 1.885,1272 2.044,1273 2.027,1274 1.357,1275 2.034,1276 1.818,1277 1.758,1278 2.04,1279 1.993,1280 1.354,1281 2.012,1282 1.774,1283 1.717,1284 1.99,1285 1.957,1286 1.229,1287 1.967,1288 1.75,1289 1.69,1290 1.982,1291 1.913,1292 1.177,1293 1.94,1294 1.655,1295 1.584,1296 1.903,1297 1.861,1298 1.173,1299 1.879,1300 1.561,1301 1.493,1302 1.801,1303 1.794,1304 1.024,1305 1.801,1306 1.499,1307 1.426,1308 1.765,1309 1.716,1310 0.995,1311 1.74,1312 4.595,1314 5.826,1316 7.228,1318 8.711,1320 10.239,1322 11.602,1328 19.764,1330 10.92,1333 8.46,1340 63.276,1341 151.142,1342 312.167,1343 480.871,1344 565.401,1345 596.42,1346 596.42,1347 188.905,1348 7.515,1349 65.56,1350 65.56,1351 12,1352 12.374,1353 3.907,1354 3.17,1355 152.635,1356 462,1357 348,1358 0.149,1359 399.42,1360 712.08,1361 966.346,1362 28741,1364 34.987,1365 0.729,1366 0.65,1367 34.987,1368 31.183,1369 23.244,1370 0.474,1371 0.374,1372 18.086,1373 22.364,1374 17.41,1375 14.735,1376 23.244,1377 18.335,1378 18.991,1379 0.317,1380 0.225,1381 18.991,1382 13.472,1383 14.817,1384 0.215,1385 0.134,1386 14.817,1387 9.215,1388 10.583,1389 0.143,1390 0.083,1391 10.583,1392 6.113,1393 7.652,1394 0.097,1395 0.05,1396 7.652,1397 3.975,1398 0.26,1399 145.56,1400 0.177,1401 44.639,1402 0.351,1403 218,1404 559.523,1405 235.846,1406 530.8,1407 701.62,1408 498,1409 238,1410 478.814,1411 257.292,1412 493.877,1413 696.78,1414 454,1415 6.983}
{0 CHEMBL222891,1 1.845,2 5.4,3 1.406,4 1.975,5 53.164,6 10.649,7 0.375,8 3.194,9 3.254,10 3.042,11 2.819,12 4.529,13 2.838,14 3.688,15 3.775,16 3.414,17 3.179,18 5.084,19 3.192,20 3.871,21 3.966,22 3.602,23 3.186,24 5.599,25 3.248,26 3.781,27 3.874,28 3.442,29 3.104,30 5.494,31 3.137,32 3.719,33 3.813,34 3.348,35 2.855,36 5.572,37 2.868,38 3.252,39 3.397,40 2.695,41 2.316,42 4.875,43 2.226,44 2.507,45 2.763,46 1.577,47 1.625,48 3.525,49 1.366,50 1.378,51 1.669,52 0.233,53 0.566,54 1.962,55 0.355,56 0.125,57 0.271,58 1.142,59 1.619,60 21.642,61 1.466,62 0.293,63 0.434,64 5.835,65 2.852,66 40.728,67 2.735,68 0.51,69 0.498,70 6.532,71 3.263,72 88.257,73 2.722,74 0.398,75 0.438,76 4.533,77 3.242,78 76.402,79 2.874,80 0.56,81 0.353,82 6.626,83 3.269,84 107.571,85 2.332,86 0.393,87 0.202,88 7.537,89 2.348,90 69.765,91 1.843,92 0.151,93 0.092,94 6.755,95 1.383,96 22.714,97 1.723,98 0.047,99 0.023,100 2.945,101 0.435,102 6.47,103 0.624,104 19,105 23,106 0.384,107 0.688,108 0.795,109 0.874,110 0.894,111 0.894,112 2.799,113 0.894,114 -2.63,115 -2.65,116 -2.58,121 47.6,127 1,144 4,145 1,146 1,159 1,160 2,176 4,179 2,180 3,187 4,191 2,192 6,200 2,205 1,206 7,218 1,219 6,227 2,232 2,239 2,251 1,281 191,282 9.975,283 9.975,284 9.975,285 9.975,286 9.975,287 8.959,288 10.666,289 5.703,290 10.066,291 7.763,292 7.763,293 7.763,294 7.763,295 7.763,296 6.026,297 12.411,298 2.551,299 7.911,300 2.547,301 1.084,302 0.571,303 0.19,304 0.095,305 0.095,306 3.434,307 1,311 1,312 1,313 165,314 2.55,317 27.286,318 33.594,321 51.8,325 0.827,326 28.999,329 1,330 0.83,331 1,332 0.4,334 1,335 1,336 0.75,337 33.833,338 81,339 4.62,340 4.069,341 7.072,342 4.333,343 3.348,344 4.153,345 2.121,346 12.106,347 3.298,348 3.759,349 3.579,350 5.942,351 3.434,352 2.439,353 3.059,354 1.126,355 7.98,356 2.4,357 3.581,358 2.903,359 5.542,360 3.157,361 2.128,362 2.863,363 0.406,364 6.617,365 2.177,366 2.987,367 2.656,368 4.644,369 2.581,370 1.591,371 2.07,373 4.306,374 1.549,375 2.839,376 1.909,377 3.641,378 2.359,379 1.354,380 1.97,382 2.953,383 1.358,384 2.381,385 1.678,386 3.565,387 1.842,388 0.83,389 1.186,391 1.977,392 0.821,393 1.633,394 1.318,395 2.908,396 1.142,397 0.298,398 0.361,400 0.447,401 0.185,402 1.422,403 0.931,404 2.389,405 0.817,406 -0.148,407 -0.221,409 -0.302,410 -0.139,411 0.793,412 -0.017,413 2.194,414 0.329,415 -0.699,416 -0.957,418 -1.713,419 -0.706,420 0.564,421 -0.089,422 2,423 0.083,424 -0.922,425 -1.348,427 -2.247,428 -0.925,429 0.181,430 -0.804,431 1.483,432 -0.244,433 -1.328,434 -1.718,436 -2.939,437 -1.264,438 -0.106,439 -0.83,440 1.409,441 -0.478,442 -1.395,443 -2,445 -3.582,446 -1.477,447 -0.5,448 -1.269,449 1.258,450 -0.735,451 -1.703,452 -2,454 -5.217,455 -1.646,456 -0.517,457 -1.58,458 1.176,459 -0.932,460 -1.87,461 -2.193,462 -0.843,463 -5.879,464 -1.758,465 -0.757,466 -1.814,467 0.457,468 -0.989,469 -1.923,470 -2.225,471 -1.14,472 -7.079,473 -1.872,474 7.114,475 0.474,476 0.422,477 0.028,478 20.75,479 1.383,480 11,481 0.733,482 9.75,483 0.65,484 8.349,485 0.557,486 15.686,487 0.747,488 13.905,489 0.927,490 4.2,491 0.28,492 2.964,493 0.198,494 0.241,496 0.408,501 0.578,502 1.251,503 0.471,504 0.853,505 0.536,506 0.774,507 0.651,508 1.132,509 0.91,510 1.019,511 0.673,512 0.946,513 0.814,514 0.898,515 0.556,516 0.855,517 0.911,518 0.766,519 0.946,520 1.164,521 0.673,522 1.054,523 0.928,524 1.013,525 1.476,526 1.014,527 1.179,528 1.062,529 1.524,530 1.167,531 1.68,532 0.747,533 1.799,534 1.042,535 1.704,536 1.291,537 1.038,538 0.595,539 2.476,540 1.247,541 0.684,542 1.348,543 0.908,544 0.043,545 3.069,546 1.254,547 0.391,548 1.055,549 2.5,551 2.222,552 2.236,553 0.987,554 0.396,555 0.1,556 0.028,559 1289,560 6123,561 1.955,562 28.6,564 6,572 1.542,573 1.765,574 2.477,575 -0.651,579 1,582 38.755,583 1.845,584 3.309,585 3.821,586 4.202,587 4.297,588 4.297,589 1.909,590 3.64,591 3.878,592 2.511,593 263.706,594 6.551,595 2148.67,597 1,600 92.239,601 1.566,602 3.796,603 0.156,605 0.097,606 0.089,607 0.047,608 0.028,609 0.02,610 0.028,613 0.465,614 0.83,615 1,616 1.29,617 56.373,618 -0.034,619 -0.205,620 0.005,621 -0.062,622 -0.027,623 -0.026,624 0.034,625 -0.087,626 -0.171,627 -0.169,628 -0.06,629 -0.124,630 0.131,631 0.15,632 0.119,633 0.006,634 0.068,635 0.077,636 -0.021,637 -0.214,638 0.033,639 -0.161,640 0.062,641 -0.123,642 -0.183,643 -0.156,644 -0.068,645 -0.047,646 -0.133,647 -0.208,648 -0.361,649 0.046,650 -0.22,651 0.121,652 -0.383,653 -0.112,654 -0.119,655 0.148,656 -0.243,657 0.104,658 -0.032,659 0.276,660 0.004,661 0.664,662 -0.289,663 0.276,664 0.141,665 0.939,666 2.498,667 4.46,668 0.6,669 7.618,670 1.05,671 1.11,672 1.402,673 1.964,674 0.739,675 2.833,676 3.178,677 3.526,678 3.807,679 3.951,680 3.85,681 3.738,682 3.555,683 2.996,684 2.639,685 3.448,686 0.742,687 223.62,688 2.833,689 4.369,690 5.252,691 6.159,692 7.067,693 7.983,694 8.897,695 9.815,696 10.731,697 11.65,698 4.8,705 1,715 4,720 2,722 6,727 1,741 21,743 9,744 1,745 16,747 22,748 10,749 6,750 2,751 4,752 2,754 1,756 2,757 3,758 1,763 1,772 9,773 1,777 3,782 3,786 3,790 1,793 6,794 4,796 5,797 1,802 1,805 1,808 0.5,809 3,828 1,829 1,832 1,859 1,865 1,868 15,876 1,881 1,892 1,893 14.3,896 3,901 8.5,902 3.926,903 3.417,904 1.159,907 1.559,908 1.267,909 0.959,910 2.388,911 7.396,912 3.135,913 3.676,914 4.259,915 4.778,916 5.226,917 5.316,918 5.506,919 5.596,920 5.247,921 5.183,922 0.75,923 25,924 5.573,925 -0.001,926 2.501,927 0.026,929 8.496,931 9.852,933 7.952,936 2.996,937 44.944,938 0.001,941 70.627,942 61.24,943 3.124,944 39.149,945 75.435,948 61.24,949 185.21,950 3.124,952 5.974,953 37.905,954 89.978,955 5.942,957 109.775,959 70.627,960 64.364,961 75.435,962 39.149,964 70.627,965 75.435,968 5.974,969 58.39,970 39.149,972 70.627,973 78.559,974 100.388,977 70.627,978 23.335,979 41.029,981 114.583,982 70.627,983 78.559,984 100.388,986 0.584,987 0.379,988 0.213,989 0.114,990 12,991 6,994 1,995 1.222,996 2.568,997 101.43,998 0.222,999 9,1000 58.603,1005 10.026,1006 3.573,1007 1.387,1009 78.559,1010 6.345,1015 0.569,1018 249.574,1019 22,1024 34.254,1028 -2.078,1031 22.058,1032 23.316,1034 0.42,1035 0.753,1036 0.87,1037 0.957,1038 0.978,1039 0.978,1040 4.376,1041 -0.148,1042 5.273,1043 0.447,1044 3.85,1045 4.357,1046 2.462,1047 6.18,1048 3.824,1049 5.592,1050 -0.699,1051 6.903,1052 -0.302,1053 3.611,1054 4.248,1055 1.668,1056 7.306,1057 3.609,1058 6.918,1059 -0.922,1060 8.64,1061 -1.713,1062 5.525,1063 6.496,1064 3.492,1065 10.482,1066 5.472,1067 8.285,1068 -1.328,1069 10.437,1070 -2.247,1071 6.133,1072 7.196,1073 3.415,1074 12.448,1075 6.083,1076 9.687,1077 -1.395,1078 12.271,1079 -2.939,1080 7.566,1081 8.958,1082 4.774,1083 15.165,1084 7.482,1085 11.115,1086 -1.703,1087 14.132,1088 -3.582,1089 8.536,1090 10.029,1091 5.059,1092 17.46,1093 8.444,1094 12.565,1095 -1.87,1096 16.011,1097 -5.217,1098 9.809,1099 11.605,1100 6.167,1101 20.028,1102 9.694,1103 3.348,1104 -1.923,1105 17.904,1106 -5.879,1107 10.926,1108 12.853,1109 6.644,1110 22.449,1111 10.796,1112 2.439,1113 12.106,1114 19.808,1115 -7.079,1116 12.149,1117 14.35,1118 7.611,1119 24.968,1120 12.001,1121 2.128,1122 7.98,1123 21.722,1124 4.153,1125 13.321,1126 15.685,1127 8.197,1128 27.434,1129 13.158,1130 1.591,1131 6.617,1132 23.643,1133 3.059,1134 14.531,1135 17.144,1136 9.079,1137 29.936,1138 14.351,1139 1.354,1140 4.306,1141 25.57,1142 2.863,1143 15.725,1144 18.523,1145 9.729,1146 32.42,1147 15.529,1148 0.83,1149 2.953,1150 27.502,1151 2.07,1152 16.932,1153 19.965,1154 10.562,1155 34.917,1156 16.721,1157 0.298,1158 1.977,1159 29.438,1160 1.97,1161 18.134,1162 21.365,1163 11.251,1164 37.407,1165 17.907,1166 1404,1167 3106,1168 10.057,1169 15.511,1170 24.445,1171 27.447,1172 26.377,1173 23.958,1174 23.978,1175 31.324,1176 7.305,1177 72.772,1178 23.574,1179 5.501,1180 6.069,1181 6.75,1182 5.333,1183 5.348,1184 7.153,1185 3.791,1186 19.534,1187 5.298,1188 8.306,1189 1.528,1190 1.715,1191 1.649,1192 1.497,1193 1.499,1194 1.958,1195 0.457,1196 4.548,1197 1.473,1198 4.018,1199 4.035,1200 4.007,1201 3.918,1202 7.5,1203 3.93,1204 3.551,1205 3.575,1206 3.756,1207 3.377,1208 7.425,1209 3.394,1210 3.346,1211 3.346,1212 3.386,1213 3.16,1214 7.351,1215 3.179,1216 2.892,1217 2.947,1218 3.012,1219 2.754,1220 4.714,1221 2.745,1222 2.605,1223 2.613,1224 2.672,1225 2.417,1226 4.649,1227 2.443,1228 2.556,1229 2.581,1230 2.544,1231 2.238,1232 3.766,1233 2.272,1234 2.304,1235 2.269,1236 2.301,1237 1.842,1238 3.613,1239 1.95,1240 1.577,1241 1.722,1242 1.598,1243 1.151,1244 2.943,1245 1.137,1246 0.289,1247 0.254,1248 0.442,1249 0.271,1250 0.209,1251 4.62,1252 0.26,1253 4.069,1254 0.133,1255 7.072,1256 0.757,1257 4.333,1258 0.206,1259 3.348,1260 4.153,1261 2.121,1262 12.106,1263 3.298,1264 1.881,1265 1.858,1266 1.981,1267 1.964,1268 1.085,1269 1.97,1270 1.51,1271 1.496,1272 1.589,1273 1.757,1274 0.755,1275 1.709,1276 1.231,1277 1.225,1278 1.331,1279 1.457,1280 0.332,1281 1.426,1282 0.877,1283 0.83,1284 1.081,1285 1.072,1286 0.19,1287 1.075,1288 0.771,1289 0.719,1290 1.006,1291 0.976,1292 0.004,1293 1.005,1294 0.217,1295 0.203,1296 0.472,1297 0.624,1299 0.569,1302 0.3,1303 0.433,1305 0.341,1308 0.196,1309 0.047,1311 0.144,1312 3.497,1314 4.828,1315 2.398,1316 6.382,1317 4.949,1318 8.032,1319 7.209,1320 9.733,1323 5.357,1328 -0.326,1333 0.824,1340 15.574,1341 38.755,1342 69.484,1343 80.239,1344 88.239,1345 90.239,1346 90.239,1347 34.258,1348 5.838,1349 56.14,1350 56.14,1351 11,1352 12.159,1353 3.322,1354 2.807,1355 23.268,1356 31,1357 31,1358 0.415,1359 101.459,1360 182.68,1361 239.319,1362 1806,1363 4.8,1364 11,1365 0.733,1366 0.555,1367 11.5,1368 8.322,1369 7.164,1370 0.448,1371 0.298,1372 4.21,1373 6.57,1374 4.088,1375 3.343,1376 7.517,1377 4.766,1378 6.293,1379 0.274,1380 0.143,1381 6.497,1382 3.281,1383 5.782,1384 0.175,1385 0.072,1386 6.104,1387 2.379,1388 4.662,1389 0.106,1390 0.037,1391 4.798,1392 1.614,1393 3.645,1394 0.071,1395 0.021,1396 3.84,1397 1.046,1398 0.587,1399 49.105,1400 0.315,1401 14.523,1402 1.36,1403 78,1404 319.055,1405 99.229,1406 327.233,1407 416.62,1408 302,1409 95,1410 264.566,1411 114.087,1412 270.24,1413 403.1,1414 253,1415 4}
{0 CHEMBL222904,1 1.329,2 24.28,3 7.021,4 49.294,5 206.712,6 5.958,7 0.226,8 4.788,9 4.93,10 4.152,11 4.268,12 5.673,13 4.201,14 5.411,15 5.636,16 4.443,17 4.673,18 6.192,19 4.567,20 5.713,21 5.972,22 4.555,23 4.884,24 6.45,25 4.742,26 5.849,27 6.112,28 4.526,29 4.954,30 6.61,31 4.782,32 5.919,33 6.214,34 4.471,35 4.967,36 6.604,37 4.769,38 5.905,39 6.21,40 4.409,41 4.92,42 6.557,43 4.719,44 5.816,45 6.108,46 4.34,47 4.861,48 6.517,49 4.657,50 5.775,51 6.076,52 4.286,53 4.789,54 6.476,55 4.581,56 0.123,57 1.599,58 29.172,59 11.54,60 16.388,61 16.755,62 0.561,63 2.588,64 53.184,65 18.323,66 38.901,67 27.715,68 0.58,69 3.244,70 69.916,71 24.799,72 50.824,73 37.151,74 0.852,75 3.517,76 79.661,77 28.265,78 78.689,79 41.847,80 0.734,81 3.662,82 83.475,83 29.668,84 77.339,85 44.621,86 0.797,87 3.536,88 82.091,89 28.311,90 73.078,91 42.963,92 0.879,93 3.253,94 75.562,95 27.427,96 73.622,97 40.345,98 0.585,99 3.055,100 71.623,101 26.061,102 65.579,103 38.665,104 53,105 68,106 0.19,107 0.403,108 0.629,109 0.726,110 0.731,111 0.731,112 3.934,113 1.115,114 -5.49,115 -5.36,116 -5.01,121 36.2,122 2,123 12,124 2,126 2,127 10,144 8,145 2,146 2,160 2,176 19,179 2,180 18,187 18,192 14,200 10,205 2,206 18,214 10,219 14,227 14,232 6,239 22,243 5,244 6,251 26,256 2,264 16,268 2,269 16,277 12,281 7536,282 34.499,283 34.499,284 34.499,285 34.499,286 34.499,287 32.735,288 43.467,289 20.921,290 35.3,291 25.894,292 25.894,293 25.894,294 25.894,295 25.894,296 23.106,297 48.336,298 9.575,299 26.87,300 5.529,301 4.043,302 2.461,303 1.785,304 1.75,305 1.75,306 4.627,313 2544,314 5.657,318 894.298,325 4.429,326 36.24,329 0.5,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.7,337 106,338 1214,339 4.206,340 3.718,341 6.185,342 3.921,343 2.941,344 3.805,345 1.94,346 9.169,347 2.888,348 4.206,349 3.715,350 6.159,351 3.84,352 2.876,353 3.805,354 1.94,355 9.118,356 2.773,357 4.012,358 3.188,359 6.159,360 3.84,361 2.875,362 3.132,363 0.916,364 9.118,365 2.773,366 3.944,367 3.188,368 6.021,369 3.746,370 2.783,371 3.101,372 0.916,373 8.555,374 2.675,375 3.735,376 2.864,377 5.956,378 3.603,379 2.617,380 2.779,381 0.86,382 8.352,383 2.571,384 3.43,385 2.729,386 5.284,387 3.303,388 2.38,389 2.467,390 0.86,391 6.713,392 2.196,393 3.43,394 2.729,395 5.284,396 3.302,397 2.379,398 2.467,399 0.555,400 6.713,401 2.195,402 2.979,403 2.39,404 4.557,405 2.886,406 1.886,407 2.088,408 0.555,409 4.777,410 1.879,411 2.917,412 2.175,413 4.317,414 2.722,415 1.74,416 2.088,417 0.172,418 4.093,419 1.704,420 2.917,421 1.959,422 4.316,423 2.599,424 1.609,425 1.985,426 0.172,427 4.039,428 1.591,429 2.851,430 1.958,431 4.246,432 2.492,433 1.543,434 1.956,436 3.992,437 1.457,438 2.842,439 1.693,440 4.065,441 2.477,442 1.521,443 1.942,445 3.573,446 1.443,447 2.74,448 1.692,449 3.645,450 2.435,451 1.44,452 1.74,454 3.074,455 1.429,456 2.598,457 1.505,458 3.635,459 2.412,460 1.418,461 1.592,463 3.035,464 1.409,465 2.495,466 1.505,467 3.602,468 2.323,469 1.326,470 1.448,472 2.954,473 1.314,474 23.933,475 0.479,476 0.81,477 0.016,478 47,479 0.94,480 16,481 0.32,482 31,483 0.62,484 68.292,485 1.366,486 59.467,487 0.513,488 36.186,489 0.724,490 8.397,491 0.168,492 16.051,493 0.321,494 0.111,496 0.234,501 0.784,502 1.616,503 1.029,504 1.398,505 0.564,506 1.26,507 1.126,508 1.159,509 1.109,510 1.072,511 0.64,512 1.075,513 1.01,514 1.089,515 1.037,516 1.065,517 0.9,518 1.046,519 1.184,520 1.113,521 1.14,522 1.115,523 1.389,524 1.126,525 0.921,526 1.041,527 1.006,528 1.028,529 1.142,530 1.026,531 0.999,532 0.919,533 0.992,534 0.928,535 0.86,536 0.95,537 0.953,538 0.929,539 1.047,540 1.015,541 1.028,542 1.041,543 0.854,544 1.064,545 0.933,546 1.053,547 1.241,548 1.015,549 8,550 0.305,551 5.333,552 2.5,553 2.009,554 1.361,555 0.931,556 0.542,557 0.394,558 0.305,559 64333,560 127025,561 2.028,562 56.9,563 10,564 34,568 4,569 18,572 1.843,573 1.923,574 4.503,575 -0.836,582 154.118,583 1.329,584 2.815,585 4.397,586 5.073,587 5.108,588 5.108,589 3.894,590 4.484,591 5.614,592 4.79,593 5867.15,594 9.928,595 146371,600 795.526,601 1.273,602 5.586,603 0.151,604 0.006,605 0.078,606 0.034,607 0.03,608 0.021,609 0.016,610 0.01,611 0.008,612 0.006,613 0.359,614 0.17,615 0.63,616 0.771,617 317.931,618 0.044,619 -0.25,620 0.065,621 -0.111,622 0.04,623 -0.036,624 -0.027,625 0.036,626 -0.036,627 0.007,628 0.026,629 -0.011,630 -0.051,631 0.001,632 -0.017,633 -0.024,634 0.002,635 -0.014,636 -0.058,637 -0.083,638 -0.12,639 -0.091,640 -0.09,641 -0.112,642 -0.043,643 -0.061,644 -0.032,645 -0.042,646 -0.071,647 -0.037,648 -0.068,649 0.046,650 -0.017,651 0.026,652 -0.041,653 0.014,654 0.015,655 0.043,656 -0.066,657 -0.028,658 -0.038,659 -0.054,660 0.018,661 -0.129,662 0.025,663 -0.067,664 -0.04,665 -0.028,666 1.33,667 5.988,668 0.48,669 109.389,670 0.984,671 1.135,672 4.257,673 18.122,674 0.616,675 3.989,676 4.234,677 4.466,678 4.615,679 4.779,680 4.779,681 4.828,682 4.796,683 4.844,684 4.949,685 14.44,686 0.563,687 691.12,688 3.989,689 5.493,690 6.312,691 7.144,692 7.976,693 8.814,694 9.65,695 10.49,696 11.329,697 12.17,698 3.4,701 2,705 2,715 8,720 4,722 12,739 2,741 116,743 14,744 2,745 53,747 119,748 42,749 12,750 4,751 8,756 4,757 4,763 2,767 4,768 2,770 12,772 14,773 28,774 2,777 2,782 2,786 2,793 66,794 8,796 8,802 4,808 1,809 4,829 4,844 2,855 2,859 4,864 4,868 50,876 22,878 2,880 2,881 4,893 3.4,896 2,898 2,901 26,902 21.3,903 11.722,904 8.003,907 1.643,908 1.192,909 0.926,910 18.136,911 10.199,912 4.127,913 4.522,914 4.916,915 5.251,916 5.608,917 5.518,918 5.585,919 5.573,920 5.584,921 5.631,922 0.938,923 74,924 18.704,926 7.576,927 0.026,929 7.473,931 37.481,933 30.692,936 1.973,937 98.667,941 776.893,942 192.965,943 12.497,945 72.29,948 192.965,949 849.182,950 12.497,951 39.417,952 57.72,953 75.81,954 59.699,955 45.106,957 776.893,959 776.893,960 205.462,961 72.29,964 565.013,965 284.169,968 81.619,969 123.843,972 776.893,973 84.787,974 192.965,977 776.893,978 77.739,979 127.724,981 72.29,982 776.893,983 84.787,984 192.965,986 0.557,987 0.333,988 0.172,989 0.089,990 24,991 12,992 0.176,993 21,995 1,996 6.111,997 465.281,999 24,1000 224.193,1005 40.331,1006 22.484,1007 13.246,1009 84.787,1010 16.518,1015 4.365,1018 1054.65,1019 61,1024 25.977,1028 0.674,1031 114.108,1032 131.702,1034 0.194,1035 0.41,1036 0.641,1037 0.74,1038 0.745,1039 0.745,1040 5.352,1041 1.886,1042 6.248,1043 6.713,1044 4.92,1045 5.209,1046 3.013,1047 6.978,1048 4.853,1049 6.456,1050 1.74,1051 7.76,1052 4.777,1053 4.29,1054 4.745,1055 2.339,1056 7.758,1057 4.175,1058 7.7,1059 1.609,1060 9.374,1061 4.093,1062 6.438,1063 7.109,1064 3.737,1065 10.798,1066 6.302,1067 8.975,1068 1.543,1069 11.049,1070 4.039,1071 6.686,1072 7.519,1073 3.823,1074 12.417,1075 6.5,1076 10.287,1077 1.521,1078 12.765,1079 3.992,1080 8.22,1081 9.347,1082 4.841,1083 14.931,1084 8.019,1085 11.621,1086 1.44,1087 14.507,1088 3.573,1089 8.878,1090 10.167,1091 5.232,1092 16.879,1093 8.633,1094 12.974,1095 1.418,1096 16.267,1097 3.074,1098 10.147,1099 11.774,1100 6.078,1101 19.203,1102 9.887,1103 2.941,1104 1.326,1105 18.039,1106 3.035,1107 11.005,1108 12.805,1109 6.605,1110 21.289,1111 10.707,1112 2.876,1113 9.169,1114 19.821,1115 2.954,1116 12.155,1117 14.302,1118 7.363,1119 23.538,1120 11.838,1121 2.875,1122 9.118,1123 21.608,1124 3.805,1125 13.111,1126 15.451,1127 7.956,1128 25.685,1129 12.761,1130 2.783,1131 9.118,1132 23.401,1133 3.805,1134 14.206,1135 16.886,1136 8.669,1137 27.904,1138 13.835,1139 2.617,1140 8.555,1141 25.197,1142 3.132,1143 15.211,1144 18.105,1145 9.296,1146 30.079,1147 14.809,1148 2.38,1149 8.352,1150 26.996,1151 3.101,1152 16.283,1153 19.503,1154 9.985,1155 32.286,1156 15.858,1157 2.379,1158 6.713,1159 28.797,1160 2.779,1161 17.312,1162 20.765,1163 10.629,1164 34.475,1165 16.859,1166 61889,1167 87105,1168 35.364,1169 71.444,1170 75.608,1171 77.672,1172 78.565,1173 75.277,1174 75.299,1175 86.068,1176 17.779,1177 200.825,1178 72.822,1179 5.206,1180 5.718,1181 5.959,1182 4.956,1183 4.941,1184 6.805,1185 3.348,1186 15.4,1187 4.888,1188 26.36,1189 1.427,1190 1.466,1191 1.482,1192 1.42,1193 1.421,1194 1.624,1195 0.335,1196 3.789,1197 1.374,1198 4.019,1199 4.069,1200 3.924,1201 3.904,1202 7.429,1203 3.903,1204 3.931,1205 3.971,1206 3.861,1207 3.845,1208 7.425,1209 3.844,1210 3.925,1211 3.957,1212 3.844,1213 3.827,1214 4.877,1215 3.823,1216 3.808,1217 3.864,1218 3.705,1219 3.646,1220 4.847,1221 3.647,1222 3.752,1223 3.81,1224 3.612,1225 3.623,1226 4.397,1227 3.61,1228 3.698,1229 3.767,1230 3.559,1231 3.526,1232 4.392,1233 3.525,1234 3.594,1235 3.661,1236 3.466,1237 3.411,1238 4.368,1239 3.412,1240 3.544,1241 3.621,1242 3.374,1243 3.373,1244 4.268,1245 3.364,1246 0.079,1247 0.07,1248 0.117,1249 0.074,1250 0.055,1251 4.206,1252 0.072,1253 3.718,1254 0.037,1255 6.185,1256 0.173,1257 3.921,1258 0.054,1259 2.941,1260 3.805,1261 1.94,1262 9.169,1263 2.888,1264 1.937,1265 1.889,1266 2.128,1267 2.094,1268 1.55,1269 2.108,1270 1.913,1271 1.887,1272 2.048,1273 2.032,1274 1.365,1275 2.039,1276 1.913,1277 1.884,1278 2.046,1279 2.03,1280 1.36,1281 2.037,1282 1.784,1283 1.728,1284 1.993,1285 1.968,1286 1.259,1287 1.974,1288 1.752,1289 1.693,1290 1.979,1291 1.914,1292 1.194,1293 1.938,1294 1.681,1295 1.614,1296 1.911,1297 1.879,1298 1.187,1299 1.895,1300 1.575,1301 1.504,1302 1.841,1303 1.786,1304 1.033,1305 1.806,1306 1.548,1307 1.472,1308 1.831,1309 1.754,1310 1.028,1311 1.785,1312 4.673,1314 5.938,1316 7.397,1318 8.942,1320 10.53,1322 7.889,1328 21.655,1330 11.053,1332 1.383,1333 9.152,1340 65.276,1341 154.118,1342 326.544,1343 510.068,1344 588.506,1345 592.506,1346 592.506,1347 137.489,1348 8.556,1349 65.56,1350 65.56,1351 24,1352 12.735,1353 3.907,1354 3.17,1355 105.7,1356 439,1357 356,1358 0.111,1359 403.818,1360 721.96,1361 977.076,1362 97753,1364 35.556,1365 0.711,1366 0.635,1367 35.556,1368 31.752,1369 24.448,1370 0.461,1371 0.372,1372 19.46,1373 23.581,1374 18.908,1375 15.756,1376 24.448,1377 19.692,1378 20.026,1379 0.294,1380 0.212,1381 20.026,1382 14.419,1383 17.061,1384 0.198,1385 0.131,1386 17.061,1387 11.249,1388 13.092,1389 0.131,1390 0.08,1391 13.092,1392 7.981,1393 10.065,1394 0.085,1395 0.048,1396 10.065,1397 5.678,1398 0.189,1399 152.447,1400 0.168,1401 45.297,1402 0.268,1403 242,1404 583.523,1405 261.178,1406 552.295,1407 745.94,1408 522,1409 275,1410 525.223,1411 295.291,1412 532.313,1413 768.51,1414 499,1415 8.246}
{0 CHEMBL222988,1 1.953,2 5,3 1.999,4 3.997,5 48.304,6 13.501,7 0.429,8 2.969,9 3.009,10 3.004,11 2.683,12 4.348,13 2.698,14 3.425,15 3.463,16 3.477,17 3.08,18 4.924,19 3.087,20 3.634,21 3.685,22 3.711,23 3.111,24 5.422,25 3.093,26 3.374,27 3.473,28 3.187,29 2.726,30 4.916,31 2.693,32 2.975,33 3.038,34 3.087,35 2.206,36 4.823,37 2.228,38 1.978,39 1.882,40 2.568,41 1.151,42 4.516,43 1.288,56 0.152,57 0.196,58 0.942,59 0.846,60 19.253,61 0.643,62 0.264,63 0.3,64 1.939,65 1.458,66 34.158,67 1.2,68 0.477,69 0.338,70 9.616,71 2.476,72 70.292,73 1.792,74 0.369,75 0.258,76 7.177,77 2.22,78 49.999,79 1.807,80 0.333,81 0.135,82 6.058,83 1.792,84 53.691,85 1.302,86 0.172,87 0.021,88 3.041,89 0.643,90 22.228,91 0.237,104 17,105 21,106 0.438,107 0.757,108 0.813,109 0.869,110 0.897,111 0.897,112 2.672,113 0.899,114 -3.36,115 -3.34,116 -3.2,121 50,144 2,145 1,146 3,159 1,160 1,176 1,180 1,183 1,185 2,187 3,191 1,192 2,195 1,197 1,200 5,206 3,211 1,214 1,219 1,224 1,232 3,281 106,282 8.293,283 8.293,284 8.293,285 8.293,286 8.293,287 7.28,288 10.174,289 4.594,290 8.532,291 6.847,292 6.847,293 6.847,294 6.847,295 6.847,296 5.189,297 13.821,298 2.161,299 7.333,300 2.047,301 0.625,302 0.375,303 0.125,306 3.296,308 2,312 1,313 134,314 1.732,317 22.881,318 27.056,321 42.133,325 0.615,326 22.412,329 1,330 0.83,331 1,332 0.4,334 1,335 1,336 0.75,337 29.167,338 65,339 4.535,340 3.889,341 6.682,342 4.185,343 3.193,344 4.184,345 1.058,346 10.718,347 3.174,348 3.985,349 3.308,350 5.873,351 3.521,352 2.622,353 3.418,355 7.923,356 2.311,357 3.349,358 2.879,359 5.297,360 2.904,361 1.928,362 2.601,364 6.004,365 1.77,366 3.127,367 2.474,368 4.819,369 2.724,370 1.752,371 2.298,373 5.176,374 1.681,375 2.559,376 2.161,377 3.941,378 2.034,379 1.115,380 1.443,382 2.924,383 0.947,384 1.633,385 1.212,386 2.711,387 1.078,388 0.157,389 0.216,391 0.362,392 0.116,393 0.981,394 0.462,395 2.641,396 0.528,397 -0.361,398 -0.456,400 -0.922,401 -0.279,402 0.694,403 -0.05,404 2.342,405 0.212,406 -0.705,407 -0.955,409 -1.85,410 -0.535,411 0.326,412 -0.168,413 1.762,414 -0.145,415 -1.134,416 -1.442,418 -2.816,419 -0.973,420 -0.124,421 -0.984,422 1.398,423 -0.53,424 -1.401,425 -1.769,427 -4.041,428 -1.098,429 -0.171,430 -1.125,431 1.262,432 -0.728,433 -1.456,434 -2,436 -4.183,437 -1.511,438 -0.5,439 -1.522,440 1.197,441 -0.799,442 -1.788,443 -2.202,445 -5.768,446 -1.747,447 -0.58,448 -1.816,449 1.076,450 -0.984,451 -1.92,452 -2.336,454 -6.577,455 -1.855,456 -0.815,457 -2,458 1,459 -1,460 -2,461 -3,462 -1.058,463 -6.949,464 -2,474 6.495,475 0.5,476 0.494,477 0.038,478 18,479 1.385,480 9.5,481 0.731,482 8.5,483 0.654,484 7.499,485 0.577,486 13.305,487 0.832,488 10.562,489 0.812,490 3.581,491 0.275,492 2.511,493 0.193,494 0.323,496 0.462,501 0.666,502 0.969,503 0.468,504 0.537,505 0.581,506 0.527,507 0.663,508 1.144,509 0.568,510 0.72,511 0.641,512 0.757,513 0.939,514 1.041,515 0.963,516 0.994,517 0.883,518 1.143,519 1.233,520 1.103,521 1.234,522 1.226,523 1.176,524 1.397,525 1.805,526 0.747,527 1.544,528 1.068,529 2.041,530 0.867,531 0.714,532 0.137,533 2.976,534 3.239,535 1.144,536 1.528,549 3.5,551 2.222,552 1.514,553 0.759,554 0.469,559 895,560 5160,561 1.948,562 18.8,564 2,567 1,572 1.491,573 1.733,574 2.415,575 -0.053,582 31.245,583 1.953,584 3.375,585 3.625,586 3.875,587 4,588 4,589 1.577,590 3.085,591 3.677,592 2.391,593 186.507,594 6.116,595 1357.86,597 1,600 64,601 1.526,602 3.574,603 0.25,605 0.106,606 0.076,607 0.063,608 0.059,613 0.553,614 1,615 1,616 0.808,617 45.691,618 -0.084,619 0.059,620 -0.017,621 0.082,622 -0.049,623 0.086,624 0.004,625 -0.167,626 -0.004,627 -0.035,628 -0.009,629 -0.076,630 -0.001,631 -0.111,632 -0.027,633 -0.06,634 0.054,635 -0.219,636 -0.282,637 -0.174,638 -0.187,639 -0.16,640 -0.236,641 -0.185,642 -0.397,643 0.101,644 -0.059,645 0.289,646 -0.508,647 0.467,648 1.59,649 0.468,650 -0.3,651 -1.722,652 1.222,653 -0.696,666 2.312,667 4.146,668 0.692,669 5.444,670 1.073,671 1.102,672 2.13,673 4.539,674 0.822,675 2.708,676 3.091,677 3.367,678 3.584,679 3.761,680 3.714,681 3.611,682 3.367,683 2.398,684 1.099,685 3.158,686 0.822,687 216.02,688 2.708,689 4.263,690 5.13,691 6.028,692 6.919,693 7.819,694 8.715,695 9.615,696 10.512,697 11.412,698 6.3,705 1,715 2,720 4,722 6,727 1,740 2,741 16,743 8,744 1,745 14,747 17,748 8,749 6,750 4,751 2,752 2,756 2,757 3,758 2,772 8,777 2,782 2,786 2,793 3,794 3,795 1,796 5,797 2,802 1,808 0.5,809 2,828 1,829 1,832 1,843 1,859 1,865 2,868 13,877 1,892 2,893 12.5,896 2,901 7.5,902 3.036,903 2.778,904 0.863,907 1.521,908 1.272,909 0.992,910 1.875,911 7.12,912 2.996,913 3.624,914 4.193,915 4.681,916 5.202,917 5.371,918 5.457,919 5.418,920 4.676,921 3.596,922 0.5,923 20,924 4.769,925 -0.003,926 2.145,927 0.026,929 8.479,931 8.437,932 -0.001,933 6.92,934 0.001,936 2.979,937 38.722,938 0.002,941 23.542,942 41.734,943 18.011,944 78.297,945 50.29,948 41.734,949 152.129,950 18.011,952 18.011,953 18.952,954 60.128,955 12.944,957 23.542,958 78.297,959 23.542,960 59.745,961 50.29,962 78.297,964 23.542,965 50.29,968 18.011,969 41.734,970 78.297,972 23.542,973 68.301,974 120.031,977 23.542,978 22.782,979 18.952,980 18.011,981 128.587,982 23.542,983 68.301,984 120.031,986 0.61,987 0.37,988 0.179,989 0.1,990 12,991 6,994 1,995 1.222,996 2.394,997 82.553,998 0.222,999 9,1000 48.106,1005 8.691,1006 2.805,1007 1.253,1009 68.301,1010 2.849,1015 1.282,1017 18.011,1018 211.874,1019 19,1024 22.053,1028 -1.22,1031 17.171,1032 17.636,1034 0.488,1035 0.844,1036 0.906,1037 0.969,1038 1,1039 1,1040 4.256,1041 -0.705,1042 5.176,1043 -0.922,1044 3.761,1045 4.304,1046 1.176,1047 6.043,1048 3.653,1049 5.51,1050 -1.134,1051 6.79,1052 -1.85,1053 3.611,1054 4.369,1056 7.029,1057 3.43,1058 6.856,1059 -1.401,1060 8.498,1061 -2.816,1062 5.425,1063 6.533,1064 1.255,1065 10.134,1066 5.27,1067 8.234,1068 -1.456,1069 10.254,1070 -4.041,1071 6.019,1072 7.325,1074 11.898,1075 5.829,1076 9.639,1077 -1.788,1078 12.04,1079 -4.183,1080 7.398,1081 9.052,1082 1.338,1083 14.543,1084 7.228,1085 11.064,1086 -1.92,1087 13.845,1088 -5.768,1089 8.313,1090 10.168,1092 16.65,1093 8.137,1094 12.504,1095 -2,1096 15.666,1097 -6.577,1098 9.539,1099 11.727,1100 1.422,1101 19.125,1102 9.375,1103 3.193,1105 17.499,1106 -6.949,1107 10.59,1108 12.995,1110 21.383,1111 10.431,1112 2.622,1113 10.718,1114 19.342,1116 11.763,1117 14.482,1118 1.51,1119 23.792,1120 11.613,1121 1.928,1122 7.923,1123 21.193,1124 4.184,1125 12.872,1126 15.827,1128 26.115,1129 12.728,1130 1.752,1131 6.004,1132 23.052,1133 3.418,1134 14.029,1135 17.282,1136 1.599,1137 28.499,1138 13.89,1139 1.115,1140 5.176,1141 24.916,1142 2.601,1143 15.163,1144 18.666,1146 30.849,1147 15.029,1148 0.157,1149 2.924,1150 26.785,1151 2.298,1152 16.316,1153 20.106,1154 1.69,1155 33.225,1156 16.185,1157 -0.361,1158 0.362,1159 28.659,1160 1.443,1161 17.462,1162 21.511,1164 35.587,1165 17.333,1166 981,1167 2396,1168 8.671,1169 13.153,1170 22.089,1171 24.371,1172 23.224,1173 21.748,1174 21.531,1175 28.32,1176 2.117,1177 66.211,1178 19.997,1179 5.35,1180 5.889,1181 5.682,1182 5.185,1183 5.193,1184 7.184,1185 2.117,1186 17.667,1187 5.174,1188 7.494,1189 1.578,1190 1.741,1191 1.659,1192 1.553,1193 1.538,1194 2.023,1195 0.151,1196 4.729,1197 1.428,1198 4.004,1199 4.016,1200 4.146,1201 3.928,1202 7.499,1203 3.932,1204 3.457,1205 3.451,1206 3.688,1207 3.295,1208 7.352,1209 3.32,1210 2.946,1211 2.988,1212 3.405,1213 2.812,1214 5.03,1215 2.803,1216 2.638,1217 2.606,1218 2.934,1219 2.496,1220 4.49,1221 2.511,1222 2.512,1223 2.54,1224 2.734,1225 2.131,1226 4.292,1227 2.199,1228 1.929,1229 1.987,1230 2.285,1231 1.598,1232 3.554,1233 1.534,1234 1.685,1235 1.65,1236 1.967,1237 1.438,1238 3.295,1239 1.431,1240 1.375,1241 1.515,1242 1.448,1243 1.012,1244 2.512,1245 0.988,1246 0.324,1247 0.278,1248 0.477,1249 0.299,1250 0.228,1251 4.535,1252 0.299,1253 3.889,1254 0.076,1255 6.682,1256 0.766,1257 4.185,1258 0.227,1259 3.193,1260 4.184,1261 1.058,1262 10.718,1263 3.174,1264 1.864,1265 1.856,1266 1.889,1267 1.921,1268 1.07,1269 1.926,1270 1.365,1271 1.364,1272 1.42,1273 1.65,1274 0.337,1275 1.577,1276 0.913,1277 0.902,1278 0.992,1279 1.085,1280 0.048,1281 1.062,1282 0.764,1283 0.726,1284 0.911,1285 0.94,1287 0.972,1290 0.251,1291 0.372,1293 0.326,1296 0.057,1297 0.279,1299 0.226,1312 3.367,1314 4.727,1315 2.398,1316 6.279,1317 4.844,1318 7.915,1319 7.002,1320 9.596,1323 11.375,1329 2.384,1340 13.16,1341 31.245,1342 54,1343 58,1344 62,1345 64,1346 64,1347 23.76,1348 5.598,1349 49.93,1350 49.93,1351 11,1352 11.935,1353 3.17,1354 2.585,1355 19.037,1356 26,1357 18,1358 0.428,1359 89.538,1360 157.14,1361 210.233,1362 1316,1363 12.5,1364 9.585,1365 0.737,1366 0.595,1367 10.585,1368 7.739,1369 6.092,1370 0.435,1371 0.3,1372 3.456,1373 5.333,1374 3.338,1375 2.708,1376 6.67,1377 4.197,1378 5.922,1379 0.282,1380 0.162,1381 6.664,1382 3.41,1383 5.143,1384 0.184,1385 0.089,1386 6.031,1387 2.482,1388 3.768,1389 0.108,1390 0.042,1391 4.191,1392 1.467,1393 3.02,1394 0.072,1395 0.024,1396 3.525,1397 0.993,1398 0.605,1399 44.467,1400 0.34,1401 12.589,1402 1.378,1403 70,1404 282.211,1405 107.411,1406 328.402,1407 412.02,1408 300,1409 84,1410 243.252,1411 117.879,1412 264.568,1413 391.11,1414 248,1415 4}
{0 CHEMBL222989,1 1.693,2 5.467,3 0.546,4 0.298,5 49.826,6 9.326,7 0.375,8 3.246,9 3.311,10 2.968,11 2.782,12 4.627,13 2.827,14 3.714,15 3.809,16 3.36,17 3.139,18 5.241,19 3.179,20 3.942,21 4.059,22 3.411,23 3.197,24 5.551,25 3.229,26 3.874,27 4.014,28 3.235,29 3.077,30 5.34,31 3.105,32 3.769,33 3.876,34 3.121,35 2.724,36 5.679,37 2.825,38 3.382,39 3.527,40 2.506,41 2.185,42 5.33,43 2.24,44 2.734,45 2.93,46 1.504,47 1.47,48 4.229,49 1.475,50 1.827,51 2.085,52 0.279,53 0.701,54 2.89,55 0.576,56 0.152,57 0.3,58 2.521,59 1.879,60 28.882,61 1.647,62 0.318,63 0.481,64 4.816,65 2.873,66 56.153,67 2.823,68 0.544,69 0.546,70 8.152,71 3.674,72 100.297,73 3.571,74 0.406,75 0.502,76 7.931,77 3.614,78 77.641,79 3.579,80 0.583,81 0.383,82 7.883,83 3.006,84 122.517,85 2.503,86 0.477,87 0.241,88 6.628,89 2.065,90 98.786,91 1.952,92 0.225,93 0.119,94 4.075,95 1.069,96 42.374,97 1.004,98 0.087,99 0.044,100 1.883,101 0.425,102 16.564,103 0.527,104 19,105 23,106 0.348,107 0.705,108 0.806,109 0.881,110 0.899,111 0.899,112 2.798,113 0.803,114 -1.96,115 -2.01,116 -2.01,121 45.5,127 1,144 4,145 1,146 1,159 1,160 2,170 1,174 1,176 4,179 1,180 3,181 1,183 1,187 4,191 3,192 4,195 1,200 2,206 5,207 1,215 2,218 1,219 5,220 1,222 1,224 2,228 2,231 1,232 2,235 1,237 2,240 1,244 1,249 1,281 196,282 9.759,283 9.759,284 9.759,285 9.759,286 9.759,287 8.666,288 10.225,289 5.686,290 9.812,291 7.863,292 7.863,293 7.863,294 7.863,295 7.863,296 6.089,297 12.773,298 2.668,299 7.927,300 2.767,301 1.034,302 0.545,303 0.182,304 0.091,305 0.091,306 3.435,311 1,312 1,313 167,314 2.55,317 27.524,318 33.889,321 52.214,325 0.898,326 29.851,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 34.5,338 82,339 4.586,340 3.991,341 6.971,342 4.294,343 3.307,344 4.13,345 2.377,346 11.738,347 3.268,348 3.636,349 3.599,350 5.661,351 3.307,352 2.321,353 2.976,354 1.203,355 7.205,356 2.268,357 3.567,358 2.959,359 5.539,360 3.157,361 2.129,362 2.758,363 0.34,364 6.608,365 2.176,366 3.217,367 2.75,368 4.587,369 2.855,370 1.86,371 2.344,373 4.797,374 1.827,375 2.842,376 1.859,377 3.654,378 2.361,379 1.354,380 1.97,382 2.957,383 1.36,384 2.423,385 1.326,386 3.638,387 1.924,388 0.917,389 1.308,391 2.274,392 0.918,393 1.909,394 1.163,395 2.99,396 1.362,397 0.28,398 0.412,400 0.655,401 0.297,402 0.939,403 0.615,404 2.395,405 0.551,406 -0.461,407 -0.594,409 -1.137,410 -0.458,411 0.663,412 0.041,413 2.197,414 0.202,415 -0.823,416 -1.064,418 -2,419 -0.819,420 0.528,421 -0.02,422 2,423 0.045,424 -1,425 -1.325,427 -2.018,428 -0.945,429 0.29,430 -0.824,431 1.471,432 -0.054,433 -1,434 -1.503,436 -2.558,437 -1.05,438 0.068,439 -0.849,440 1.297,441 -0.282,442 -1.364,443 -2,445 -3.62,446 -1.489,447 -0.5,448 -1.28,449 1.178,450 -0.72,451 -1.72,452 -2,453 -0.267,454 -5.174,455 -1.707,456 -0.521,457 -1.579,458 1.101,459 -0.931,460 -1.873,461 -2.187,462 -0.922,463 -5.482,464 -1.768,465 -0.762,466 -1.813,467 1,468 -0.972,469 -1.928,470 -2.223,471 -1.116,472 -7.04,473 -1.879,474 6.733,475 0.449,476 0.477,477 0.032,478 20.75,479 1.383,480 11,481 0.733,482 9.75,483 0.65,484 7.774,485 0.518,486 16.067,487 0.73,488 14.261,489 0.951,490 4.414,491 0.294,492 2.695,493 0.18,494 0.198,496 0.431,501 0.722,502 1.213,503 0.62,504 0.964,505 0.65,506 0.808,507 0.531,508 1.154,509 0.664,510 0.981,511 0.52,512 0.9,513 0.807,514 0.899,515 0.931,516 0.899,517 0.906,518 0.957,519 0.971,520 1.098,521 0.997,522 1.165,523 0.945,524 1.104,525 1.365,526 1.056,527 1.174,528 1.173,529 1.396,530 1.115,531 1.327,532 0.845,533 1.322,534 0.971,535 1.304,536 1.105,537 1.832,538 0.678,539 1.622,540 0.771,541 1.723,542 1.014,543 1.48,544 0.35,545 1.584,546 0.446,547 1.379,548 0.891,549 3,551 2,552 1.986,553 0.782,554 0.615,555 0.082,556 0.056,559 1337,560 5937,561 1.955,562 31.8,564 6,567 1,572 1.539,573 1.765,574 2.51,575 -0.134,579 1,582 37.237,583 1.693,584 3.425,585 3.914,586 4.278,587 4.369,588 4.369,589 1.966,590 3.507,591 3.877,592 2.59,593 271.946,594 6.539,595 2210.12,597 1,600 98.107,601 1.566,602 3.796,603 0.188,605 0.087,606 0.086,607 0.041,608 0.041,609 0.012,610 0.028,613 0.483,614 0.67,615 1,616 1.29,617 56.812,618 -0.108,619 -0.131,620 -0.019,621 0.016,622 -0.084,623 0.03,624 0.128,625 -0.052,626 0.038,627 -0.038,628 0.097,629 -0.039,630 0.075,631 0.111,632 -0.052,633 0.048,634 -0.026,635 -0.04,636 -0.145,637 -0.14,638 -0.061,639 -0.203,640 -0.102,641 -0.115,642 -0.093,643 -0.2,644 -0.112,645 -0.24,646 -0.053,647 -0.197,648 0.026,649 -0.05,650 -0.078,651 -0.024,652 0.076,653 -0.079,654 -0.5,655 0.082,656 -0.226,657 0.185,658 -0.448,659 0.127,660 -0.326,661 0.38,662 0.029,663 0.554,664 -0.321,665 0.481,666 2.812,667 4.411,668 0.6,669 7.938,670 1.048,671 1.117,672 0.728,673 0.531,674 0.687,675 2.833,676 3.178,677 3.466,678 3.761,679 3.932,680 3.829,681 3.761,682 3.584,683 3.045,684 2.565,685 3.578,686 0.703,687 205.18,688 2.833,689 4.369,690 5.231,691 6.133,692 7.027,693 7.937,694 8.841,695 9.753,696 10.661,697 11.573,698 4.5,705 1,715 4,720 2,722 6,727 1,741 22,743 9,744 1,745 16,747 23,748 10,749 6,750 2,751 4,752 2,756 2,757 3,772 9,773 1,777 3,782 3,786 3,790 1,793 7,794 5,795 1,796 5,802 1,808 0.5,809 4,828 1,829 1,832 1,844 1,845 1,857 1,859 1,868 15,875 1,876 1,881 1,893 18.2,895 1,896 3,901 8.5,902 3.983,903 3.306,904 1.188,907 1.559,908 1.267,909 0.92,910 2.194,911 7.396,912 3.135,913 3.676,914 4.201,915 4.708,916 5.193,917 5.263,918 5.478,919 5.563,920 5.29,921 4.925,922 0.75,923 23,924 5.567,925 -0.001,926 2.507,927 0.026,929 8.622,931 9.767,933 7.895,936 3.122,937 46.833,938 0.001,941 70.627,942 56.701,943 3.124,945 118.118,948 56.701,949 188.745,950 3.124,952 5.23,953 37.905,954 128.866,955 5.942,957 70.627,959 70.627,960 59.825,961 118.118,964 70.627,965 118.118,968 5.23,969 54.595,972 70.627,973 121.242,974 56.701,977 70.627,978 18.796,979 41.029,981 118.118,982 70.627,983 121.242,984 56.701,986 0.587,987 0.344,988 0.199,989 0.117,990 12,991 6,992 0.087,993 2,994 1,995 1.222,996 2.601,997 100.041,998 0.222,999 9,1000 58.603,1005 9.714,1006 3.387,1007 1.479,1009 121.242,1010 6.354,1015 0.638,1017 42.683,1018 248.57,1019 22,1024 33.327,1028 -2.571,1031 23.062,1032 24.582,1034 0.38,1035 0.768,1036 0.878,1037 0.959,1038 0.98,1039 0.98,1040 4.376,1041 -0.461,1042 5.252,1043 0.655,1044 3.85,1045 4.357,1046 2.564,1047 6.129,1048 3.836,1049 5.592,1050 -0.823,1051 6.86,1052 -1.137,1053 3.611,1054 4.248,1055 2.283,1056 7.186,1057 3.589,1058 6.91,1059 -1,1060 8.574,1061 -2,1062 5.493,1063 6.471,1064 3.786,1065 10.349,1066 5.453,1067 8.264,1068 -1,1069 10.349,1070 -2.018,1071 6.066,1072 7.151,1073 4.19,1074 12.262,1075 6.019,1076 9.653,1077 -1.364,1078 12.164,1079 -2.558,1080 7.495,1081 8.913,1082 5.321,1083 14.967,1084 7.428,1085 11.068,1086 -1.72,1087 14.005,1088 -3.62,1089 8.435,1090 9.966,1091 5.996,1092 17.223,1093 8.36,1094 12.505,1095 -1.873,1096 15.868,1097 -5.174,1098 9.705,1099 11.547,1100 6.978,1101 19.772,1102 9.613,1103 3.307,1104 -1.928,1105 17.746,1106 -5.482,1107 10.801,1108 12.783,1109 7.762,1110 22.159,1111 10.699,1112 2.321,1113 11.738,1114 19.636,1115 -7.04,1116 12.018,1117 14.282,1118 8.68,1119 24.653,1120 11.902,1121 2.129,1122 7.205,1123 21.536,1124 4.13,1125 13.176,1126 15.609,1127 9.509,1128 27.089,1129 13.048,1130 1.86,1131 6.608,1132 23.444,1133 2.976,1134 14.377,1135 17.069,1136 10.399,1137 29.563,1138 14.236,1139 1.354,1140 4.797,1141 25.358,1142 2.758,1143 15.558,1144 18.44,1145 11.248,1146 32.016,1147 15.406,1148 0.917,1149 2.957,1150 27.278,1151 2.344,1152 16.755,1153 19.88,1154 12.125,1155 34.482,1156 16.59,1157 0.28,1158 2.274,1159 29.202,1160 1.97,1161 17.945,1162 21.274,1163 12.983,1164 36.942,1165 17.768,1166 1446,1167 3098,1168 10.057,1169 15.108,1170 25.111,1171 26.597,1172 25.83,1173 24.435,1174 24.337,1175 31.794,1176 7.839,1177 72.467,1178 24.228,1179 5.472,1180 5.991,1181 6.65,1182 5.294,1183 5.307,1184 7.13,1185 3.991,1186 18.942,1187 5.268,1188 8.435,1189 1.569,1190 1.662,1191 1.614,1192 1.527,1193 1.521,1194 1.987,1195 0.49,1196 4.529,1197 1.514,1198 4.017,1199 4.037,1200 3.985,1201 3.918,1202 7.499,1203 3.929,1204 3.557,1205 3.582,1206 3.484,1207 3.349,1208 7.473,1209 3.378,1210 3.365,1211 3.353,1212 3.322,1213 3.127,1214 7.352,1215 3.171,1216 2.916,1217 2.956,1218 2.829,1219 2.744,1220 6.351,1221 2.748,1222 2.605,1223 2.655,1224 2.546,1225 2.417,1226 4.71,1227 2.443,1228 2.601,1229 2.613,1230 2.44,1231 2.201,1232 3.887,1233 2.269,1234 2.301,1235 2.31,1236 2.139,1237 1.84,1238 3.615,1239 1.922,1240 1.983,1241 2.013,1242 1.776,1243 1.299,1244 3.267,1245 1.397,1246 0.287,1247 0.249,1248 0.436,1249 0.268,1250 0.207,1251 4.586,1252 0.258,1253 3.991,1254 0.149,1255 6.971,1256 0.734,1257 4.294,1258 0.204,1259 3.307,1260 4.13,1261 2.377,1262 11.738,1263 3.268,1264 1.881,1265 1.859,1266 1.984,1267 1.967,1268 1.097,1269 1.973,1270 1.519,1271 1.496,1272 1.658,1273 1.785,1274 0.817,1275 1.74,1276 1.219,1277 1.222,1278 1.312,1279 1.495,1280 0.296,1281 1.424,1282 0.861,1283 0.832,1284 1.075,1285 1.121,1286 0.149,1287 1.081,1288 0.768,1289 0.719,1290 0.963,1291 0.978,1293 1.008,1294 0.347,1295 0.28,1296 0.749,1297 0.787,1299 0.787,1302 0.315,1303 0.434,1305 0.359,1308 0.3,1309 0.343,1311 0.27,1312 3.497,1314 4.828,1315 2.398,1316 6.361,1317 4.949,1318 7.989,1319 7.195,1320 9.671,1327 8.598,1328 -0.485,1333 0.972,1340 15.461,1341 37.237,1342 75.353,1343 86.107,1344 94.107,1345 96.107,1346 96.107,1347 33.521,1348 5.838,1349 76.37,1350 76.37,1351 11,1352 12.087,1353 3.322,1354 2.807,1355 23.336,1356 32,1357 29,1358 0.399,1359 97.122,1360 176.26,1361 228.738,1362 1840,1364 11,1365 0.733,1366 0.509,1367 11,1368 7.636,1369 7.109,1370 0.444,1371 0.268,1372 4.198,1373 6.747,1374 4.142,1375 3.397,1376 7.109,1377 4.28,1378 6.624,1379 0.288,1380 0.136,1381 6.624,1382 3.131,1383 5.348,1384 0.173,1385 0.07,1386 5.348,1387 2.172,1388 4.476,1389 0.107,1390 0.037,1391 4.476,1392 1.54,1393 3.689,1394 0.074,1395 0.02,1396 3.689,1397 0.982,1398 0.57,1399 45.501,1400 0.315,1401 14.651,1402 1.272,1403 78,1404 325.001,1405 89.494,1406 303.871,1407 390.3,1408 278,1409 93,1410 266.461,1411 104.082,1412 265.672,1413 390.74,1414 249,1415 4}
{0 CHEMBL222999,1 1.875,2 4.25,3 1.26,4 1.587,5 44.031,6 11.349,7 0.462,8 2.955,9 3.011,10 2.878,11 2.599,12 4.307,13 2.627,14 3.403,15 3.467,16 3.282,17 2.998,18 4.81,19 3.008,20 3.601,21 3.691,22 3.486,23 2.993,24 5.38,25 3.009,26 3.354,27 3.477,28 3.072,29 2.635,30 4.993,31 2.617,32 2.914,33 3.047,34 2.225,35 1.911,36 4.559,37 1.89,38 1.782,39 1.913,40 0.46,41 0.688,42 3.262,43 0.616,56 0.109,57 0.202,58 0.726,59 1.067,60 13.595,61 0.921,62 0.188,63 0.318,64 0.817,65 1.835,66 25.16,67 1.651,68 0.388,69 0.357,70 4.316,71 2.665,72 63.15,73 2.492,74 0.303,75 0.271,76 5.408,77 2.284,78 39.897,79 2.026,80 0.266,81 0.151,82 6.037,83 1.654,84 43.258,85 1.163,86 0.115,87 0.036,88 2.728,89 0.548,90 21.947,91 0.248,104 10,105 19,106 0.42,107 0.645,108 0.757,109 0.869,110 0.897,111 0.897,112 2.604,113 0.852,114 -2.52,115 -2.55,116 -2.49,121 50,144 4,145 1,146 1,159 1,160 1,169 1,176 4,179 1,180 3,187 4,191 2,192 5,200 4,206 6,214 2,219 3,227 1,281 80,282 7.897,283 7.897,284 7.897,285 7.897,286 7.897,287 7.012,288 9.124,289 4.487,290 7.941,291 6.343,292 6.343,293 6.343,294 6.343,295 6.343,296 4.865,297 14.085,298 2.071,299 6.359,300 2.125,301 1.125,302 0.625,303 0.125,306 3.225,309 1,312 1,313 105,314 1.581,317 19.414,318 24.19,321 37.044,325 0.625,326 19.155,329 1,330 0.67,331 0.83,332 0.4,334 1,335 1,336 0.7,337 26.833,338 51,339 4.572,340 3.958,341 6.925,342 4.278,343 3.283,344 4.123,345 1.058,346 11.483,347 3.266,348 3.603,349 2.948,350 5.553,351 3.168,352 2.148,353 2.963,355 6.665,356 2.182,357 3.294,358 2.73,359 5.491,360 3.023,361 2.026,362 2.432,364 6.426,365 2.004,366 2.842,367 1.752,368 3.642,369 2.361,370 1.354,371 1.97,373 2.957,374 1.36,375 2.42,376 1.319,377 3.618,378 1.928,379 0.914,380 1.304,382 2.21,383 0.923,384 1.836,385 0.966,386 2.849,387 1.315,388 0.202,389 0.305,391 0.436,392 0.223,393 0.839,394 -0.018,395 2.343,396 0.431,397 -0.585,398 -0.769,400 -1.379,401 -0.589,402 0.581,403 -0.644,404 2,405 0.115,406 -0.888,407 -1.265,409 -2.127,410 -0.89,411 0.206,412 -0.827,413 1.514,414 -0.197,415 -1.287,416 -1.667,418 -3.197,419 -1.354,420 -0.241,421 -1.207,422 1.382,423 -0.464,424 -1.469,425 -2,427 -4.12,428 -1.519,429 -0.5,430 -1.566,431 1.196,432 -0.824,433 -1.813,434 -2.175,436 -5.268,437 -1.749,438 -0.637,439 -1.811,440 1.166,441 -0.934,442 -1.887,443 -2.221,445 -6.95,446 -1.856,447 -0.815,448 -2,449 0.321,450 -1,451 -2,452 -3,453 -1.058,454 -7.137,455 -2,474 5.781,475 0.482,476 0.371,477 0.031,478 17,479 1.417,480 9.5,481 0.792,482 7.5,483 0.625,484 6.309,485 0.526,486 12.219,487 0.764,488 9.529,489 0.794,490 3.406,491 0.284,492 2.31,493 0.192,494 0.239,496 0.415,501 0.459,502 1.048,503 0.408,504 0.837,505 0.518,506 0.725,507 0.592,508 1.151,509 0.557,510 0.856,511 0.644,512 0.851,513 0.673,514 1.016,515 0.741,516 0.925,517 0.703,518 0.863,519 1.048,520 1.066,521 1.204,522 1.223,523 0.91,524 1.205,525 2.247,526 0.787,527 2.071,528 1.244,529 2.188,530 1.382,531 3.7,532 0.031,533 3.283,534 0.96,535 3.938,536 1.559,549 2,551 2,552 1.861,553 0.337,554 0.205,559 708,560 3261,561 1.991,562 25,564 4,572 1.467,573 1.8,574 2.22,575 -0.646,582 30,583 1.875,584 2.875,585 3.375,586 3.875,587 4,588 4,589 1.483,590 2.418,591 3.563,592 2.172,593 143.349,594 5.898,595 1014.54,597 1,600 64,601 1.555,602 3.478,603 0.154,605 0.105,606 0.098,607 0.031,608 0.051,613 0.439,614 1,615 1,616 0.799,617 40.082,618 0.096,619 -0.031,620 0.044,621 -0.134,622 -0.028,623 -0.049,624 0.045,625 -0.177,626 0.005,627 -0.096,628 -0.049,629 -0.116,630 0.282,631 -0.084,632 0.209,633 0.013,634 0.251,635 0.08,636 -0.059,637 -0.16,638 -0.02,639 -0.2,640 0.042,641 -0.125,642 -0.787,643 0.061,644 -0.609,645 -0.036,646 -0.6,647 -0.179,648 -1.65,649 0.771,650 -1.481,651 0.498,652 -1.567,653 -0.198,666 2.349,667 4.131,668 0.75,669 4.611,670 1.053,671 1.106,672 1.291,673 1.667,674 0.768,675 2.639,676 2.996,677 3.332,678 3.555,679 3.638,680 3.401,681 3.258,682 3.091,683 2.303,684 1.099,685 2.85,686 0.771,687 181.58,688 2.639,689 4.174,690 5.056,691 5.953,692 6.853,693 7.756,694 8.659,695 9.563,696 10.466,697 11.371,698 6.3,705 1,715 4,720 2,722 6,727 1,741 16,743 8,744 1,745 13,747 17,748 8,749 6,750 2,751 4,752 2,756 2,757 3,758 1,772 8,777 2,782 2,786 2,793 4,794 3,796 4,797 1,802 1,808 0.5,809 2,828 1,829 1,832 1,859 1,865 1,868 12,881 1,892 1,893 12.5,896 2,901 6.667,902 3.01,903 2.639,904 0.899,907 1.52,908 1.28,909 0.982,910 1.496,911 6.954,912 2.944,913 3.512,914 4.123,915 4.594,916 5.031,917 5.022,918 5.188,919 5.225,920 4.744,921 3.841,922 0.667,923 19,924 4.411,925 0.006,926 1.97,927 0.026,929 8.398,931 7.883,932 0.003,933 6.425,934 -0.002,936 2.898,937 34.778,938 0.004,941 47.084,942 53.685,943 3.457,944 38.81,945 50.29,948 53.685,949 136.184,950 3.457,952 3.457,953 37.905,954 60.128,955 5.942,956 38.81,957 47.084,959 47.084,960 57.142,961 50.29,962 38.81,964 47.084,965 50.29,968 3.457,969 53.685,971 38.81,972 47.084,973 53.746,974 92.495,977 47.084,978 15.78,979 41.362,981 89.099,982 47.084,983 53.746,984 92.495,986 0.597,987 0.384,988 0.202,989 0.098,990 11,991 5,994 1,995 1.222,996 2.314,997 73.851,998 0.222,999 9,1000 43.02,1005 7.466,1006 2.405,1007 0.912,1009 53.746,1010 6.628,1015 0.84,1018 193.326,1019 18,1024 22.138,1028 -1.224,1031 16.847,1032 17.692,1034 0.469,1035 0.719,1036 0.844,1037 0.969,1038 1,1039 1,1040 4.182,1041 -0.888,1042 5.081,1043 -1.379,1044 3.664,1045 4.19,1046 1.176,1047 5.974,1048 3.663,1049 5.404,1050 -1.287,1051 6.708,1052 -2.127,1053 3.434,1054 4.06,1056 7.05,1057 3.432,1058 6.729,1059 -1.469,1060 8.441,1061 -3.197,1062 5.333,1063 6.353,1064 1.255,1065 10.214,1066 5.32,1067 8.097,1068 -1.813,1069 10.232,1070 -4.12,1071 5.943,1072 7.043,1074 12.121,1075 5.93,1076 9.501,1077 -1.887,1078 12.058,1079 -5.268,1080 7.37,1081 8.84,1082 1.338,1083 14.818,1084 7.344,1085 10.932,1086 -2,1087 13.907,1088 -6.95,1089 8.336,1090 9.905,1092 17.054,1093 8.308,1094 12.383,1096 15.774,1097 -7.137,1098 9.603,1099 11.501,1100 1.422,1101 19.59,1102 9.565,1103 3.283,1105 17.653,1107 10.71,1108 12.744,1110 21.955,1111 10.668,1112 2.148,1113 11.483,1114 19.543,1116 11.923,1117 14.25,1118 1.51,1119 24.431,1120 11.874,1121 2.026,1122 6.665,1123 21.442,1124 4.123,1125 13.082,1126 15.579,1128 26.844,1129 13.028,1130 1.354,1131 6.426,1132 23.347,1133 2.963,1134 14.279,1135 17.042,1136 1.599,1137 29.299,1138 14.218,1139 0.914,1140 2.957,1141 25.258,1142 2.432,1143 15.457,1144 18.413,1146 31.729,1147 15.391,1148 0.202,1149 2.21,1150 27.173,1151 1.97,1152 16.648,1153 19.854,1154 1.69,1155 34.175,1156 16.576,1157 -0.585,1158 0.436,1159 29.093,1160 1.304,1161 17.833,1162 21.247,1164 36.612,1165 17.756,1166 780,1167 1738,1168 8.266,1169 12.295,1170 20.517,1171 22.177,1172 21.228,1173 19.961,1174 19.856,1175 26.194,1176 2.117,1177 60.355,1178 19.916,1179 5.388,1180 5.958,1181 6.604,1182 5.278,1183 5.283,1184 7.123,1185 2.117,1186 18.62,1187 5.266,1188 5.905,1189 1.578,1190 1.706,1191 1.633,1192 1.535,1193 1.527,1194 2.015,1195 0.163,1196 4.643,1197 1.532,1198 4,1199 4.016,1200 4.052,1201 3.91,1202 7.498,1203 3.918,1204 3.442,1205 3.453,1206 3.542,1207 3.256,1208 7.352,1209 3.286,1210 2.948,1211 2.988,1212 3.246,1213 2.794,1214 4.833,1215 2.793,1216 2.605,1217 2.613,1218 2.672,1219 2.418,1220 4.54,1221 2.443,1222 2.522,1223 2.536,1224 2.544,1225 2.213,1226 3.618,1227 2.246,1228 1.986,1229 1.98,1230 2.263,1231 1.606,1232 3.516,1233 1.646,1234 1.473,1235 1.687,1236 1.117,1237 1.062,1238 2.451,1239 0.983,1240 1.384,1241 1.51,1242 0.881,1243 1.028,1244 1.979,1245 0.965,1246 0.352,1247 0.304,1248 0.533,1249 0.329,1250 0.253,1251 4.572,1252 0.317,1253 3.958,1254 0.081,1255 6.925,1256 0.883,1257 4.278,1258 0.251,1259 3.283,1260 4.123,1261 1.058,1262 11.483,1263 3.266,1264 1.876,1265 1.854,1266 1.977,1267 1.953,1268 1.077,1269 1.963,1270 1.359,1271 1.365,1272 1.372,1273 1.623,1274 0.338,1275 1.547,1276 0.934,1277 0.898,1278 1.082,1279 1.127,1280 0.187,1281 1.112,1282 0.777,1283 0.723,1284 1.003,1285 0.977,1287 1.008,1290 0.347,1291 0.436,1293 0.388,1296 0.3,1297 0.158,1299 0.154,1303 0.033,1305 0.073,1312 3.296,1314 4.635,1315 2.398,1316 6.192,1317 4.949,1318 7.838,1319 7.182,1320 9.528,1323 5.551,1333 0.845,1340 12.332,1341 30,1342 46,1343 54,1344 62,1345 64,1346 64,1347 19.892,1348 5.434,1349 39.07,1350 39.07,1351 11,1352 11.89,1353 3.17,1354 2.585,1355 16.905,1356 22,1357 13,1358 0.467,1359 81.205,1360 141.93,1361 189.9,1362 1071,1363 6.3,1364 8.715,1365 0.726,1366 0.559,1367 9.215,1368 6.707,1369 5.715,1370 0.44,1371 0.284,1372 3.329,1373 5.231,1374 3.255,1375 2.673,1376 6.004,1377 3.69,1378 5.19,1379 0.273,1380 0.146,1381 5.523,1382 2.77,1383 4.884,1384 0.181,1385 0.077,1386 5.361,1387 2.068,1388 3.752,1389 0.11,1390 0.04,1391 4.111,1392 1.375,1393 2.773,1394 0.075,1395 0.022,1396 3.039,1397 0.824,1398 0.641,1399 39.243,1400 0.348,1401 11.521,1402 1.591,1403 64,1404 251.32,1405 86.252,1406 269.489,1407 346.18,1408 246,1409 78,1410 225.005,1411 101.1,1412 236.756,1413 349.53,1414 222,1415 4}
{0 CHEMBL223000,1 1.768,2 5.357,3 1.686,4 2.843,5 55.918,6 11.55,7 0.4,8 3.212,9 3.296,10 3.157,11 2.866,12 4.399,13 2.839,14 3.733,15 3.86,16 3.472,17 3.24,18 4.932,19 3.194,20 3.923,21 4.08,22 3.573,23 3.262,24 5.373,25 3.231,26 3.83,27 3.97,28 3.515,29 3.192,30 5.165,31 3.124,32 3.766,33 3.916,34 3.702,35 2.993,36 5.224,37 2.878,38 3.298,39 3.513,40 3.261,41 2.491,42 4.549,43 2.258,44 2.528,45 2.831,46 2.205,47 1.802,48 3.157,49 1.429,50 1.355,51 1.646,52 0.453,53 0.668,54 1.749,55 0.391,56 0.048,57 0.283,58 0.553,59 1.843,60 6.76,61 2.02,62 0.169,63 0.477,64 12.678,65 3.614,66 13.087,67 3.768,68 0.332,69 0.549,70 17.839,71 4.43,72 45.767,73 4.744,74 0.205,75 0.483,76 4.056,77 3.95,78 29.45,79 3.959,80 0.347,81 0.402,82 8.454,83 4.304,84 55.02,85 3.49,86 0.246,87 0.24,88 14.09,89 3.36,90 37.733,91 3.056,92 0.074,93 0.108,94 14.928,95 2.033,96 8.301,97 2.263,98 0.025,99 0.025,100 6.535,101 0.618,102 2.821,103 0.654,104 12,105 21,106 0.368,107 0.682,108 0.795,109 0.871,110 0.89,111 0.89,112 2.737,113 1.078,114 -3.26,115 -3.25,116 -3.11,117 1,121 45.5,127 2,144 4,145 1,146 1,159 1,160 1,176 4,179 1,180 3,187 4,191 2,192 5,200 2,206 5,219 4,227 2,232 1,239 2,251 1,281 148,282 9.475,283 9.475,284 9.475,285 9.475,286 9.475,287 8.589,288 9.352,289 5.635,290 9.719,291 7.328,292 7.328,293 7.328,294 7.328,295 7.328,296 5.865,297 12.477,298 2.535,299 7.698,300 2.692,301 1.182,302 0.636,303 0.273,304 0.182,305 0.182,306 3.374,311 1,312 1,313 154,314 2.121,317 24.742,318 30.558,321 47.019,325 0.837,326 18.973,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 30.25,338 75,339 4.583,340 3.977,341 6.967,342 4.29,343 3.302,344 4.128,345 1.2,346 11.717,347 3.264,348 3.606,349 2.984,350 5.631,351 3.177,352 2.183,353 2.966,354 0.293,355 7.026,356 2.183,357 3.358,358 2.772,359 5.537,360 3.096,361 2.097,362 2.49,364 6.6,365 2.052,366 2.843,367 2.142,368 3.799,369 2.362,370 1.355,371 1.97,373 2.965,374 1.361,375 2.502,376 1.744,377 3.64,378 2.148,379 1.256,380 1.486,382 2.705,383 1.072,384 2.273,385 1.322,386 3.275,387 1.782,388 0.819,389 1.079,391 1.674,392 0.707,393 1.632,394 1.078,395 2.668,396 1.124,397 0.165,398 0.227,400 0.31,401 0.122,402 0.851,403 0.011,404 2.333,405 0.409,406 -0.505,407 -0.625,409 -0.985,410 -0.379,411 0.596,412 -0.023,413 2,414 0.12,415 -0.831,416 -1.066,418 -1.824,419 -0.752,420 0.332,421 -0.826,422 1.694,423 -0.126,424 -1,425 -1.364,427 -2.277,428 -0.937,429 0.069,430 -0.926,431 1.455,432 -0.318,433 -1.361,434 -1.889,436 -3.5,437 -1.471,438 -0.5,439 -1.354,440 1.261,441 -0.739,442 -1.701,443 -2,445 -4.895,446 -1.604,447 -0.516,448 -1.603,449 1.176,450 -0.932,451 -1.867,452 -2.182,454 -5.314,455 -1.753,456 -0.755,457 -1.817,458 0.322,459 -0.99,460 -1.911,461 -2.222,462 -0.4,463 -7.022,464 -1.864,465 -0.874,466 -2,467 0.241,468 -1,469 -2,470 -3,471 -1.093,472 -7.18,473 -2,474 7.4,475 0.529,476 0.333,477 0.024,478 18.25,479 1.304,480 9.5,481 0.679,482 8.75,483 0.625,484 9.683,485 0.692,486 14.2,487 0.645,488 9.843,489 0.703,490 3.092,491 0.221,492 3.661,493 0.261,494 0.27,496 0.324,501 0.559,502 1.241,503 0.458,504 0.735,505 0.492,506 0.784,507 0.685,508 1.126,509 0.908,510 0.975,511 0.584,512 0.938,513 0.714,514 0.956,515 0.755,516 0.922,517 0.692,518 0.862,519 1.146,520 1.142,521 0.55,522 0.887,523 1.167,524 1.067,525 1.737,526 0.962,527 1.05,528 1.001,529 1.927,530 1.112,531 1.345,532 0.735,533 1.628,534 1.173,535 1.477,536 1.128,537 0.445,538 0.628,539 2.718,540 1.629,541 0.131,542 1.203,543 0.647,544 0.347,545 3.884,546 2.229,547 0.18,548 1.326,549 2,551 2,552 1.986,553 0.622,554 0.368,555 0.06,556 0.028,559 1106,560 4567,561 1.993,562 36.4,564 8,572 1.518,573 1.826,574 2.463,575 -0.696,579 1,582 38.888,583 1.768,584 3.278,585 3.823,586 4.187,587 4.278,588 4.278,589 1.924,590 3.236,591 3.776,592 2.502,593 227.719,594 6.338,595 1755.5,597 1,600 98.107,601 1.531,602 3.714,603 0.133,605 0.095,606 0.09,607 0.037,608 0.033,609 0.015,610 0.028,613 0.432,614 1,615 1,616 1.292,617 51.192,618 -0.024,619 -0.196,621 -0.042,622 -0.016,623 -0.019,624 0.001,625 -0.064,626 -0.128,627 -0.146,628 -0.013,629 -0.095,630 0.219,631 0.066,632 -0.049,633 -0.085,634 0.21,635 0.035,636 -0.172,637 -0.194,638 0.001,639 -0.097,640 -0.113,641 -0.199,642 -0.301,643 -0.092,644 0.026,645 0.031,646 -0.313,647 -0.153,648 -0.125,649 0.078,650 0.006,651 0.122,652 -0.215,653 0.055,654 0.119,655 0.143,656 -0.248,657 0.027,658 0.163,659 0.298,660 0.035,661 0.38,662 -0.651,663 -0.249,664 0.164,665 0.364,666 2.092,667 4.508,668 0.643,669 7.082,670 1.024,671 1.11,672 2.028,673 4.111,674 0.741,675 2.773,676 3.091,677 3.434,678 3.714,679 3.85,680 3.714,681 3.611,682 3.434,683 2.833,684 2.303,685 3.376,686 0.708,687 254.09,688 2.773,689 4.29,690 5.165,691 6.061,692 6.963,693 7.87,694 8.778,695 9.687,696 10.596,697 11.506,698 4.5,705 1,715 4,720 2,722 6,727 1,741 22,743 8,744 1,745 15,746 1,747 23,748 10,749 6,750 2,751 4,752 2,754 1,756 2,757 3,763 1,772 8,773 2,777 2,782 2,786 2,790 1,793 8,794 3,796 4,797 1,802 1,808 0.5,809 2,828 1,829 1,832 1,844 1,859 1,863 1,868 14,876 2,881 1,892 1,893 9.1,896 2,901 7.667,902 4.01,903 3.222,904 1.292,907 1.482,908 1.259,909 0.975,910 2.485,911 7.199,912 3.045,913 3.57,914 4.171,915 4.672,916 5.124,917 5.165,918 5.351,919 5.418,920 5.041,921 4.627,922 0.75,923 22,924 5.19,925 0.002,926 2.242,927 0.026,929 8.101,931 9.626,932 0.001,933 7.813,934 -0.001,936 2.601,937 36.417,938 0.004,941 94.169,942 58.195,943 49.078,945 50.29,948 104.149,949 144.459,950 3.124,952 7.634,953 37.905,954 60.128,955 5.942,957 94.169,958 45.954,959 94.169,960 61.32,961 50.29,963 45.954,964 94.169,965 50.29,968 7.634,969 53.685,971 45.954,972 94.169,973 53.414,974 104.149,977 94.169,978 20.29,979 41.029,980 45.954,981 50.29,982 94.169,983 53.414,984 104.149,986 0.57,987 0.365,988 0.216,989 0.119,990 11,991 5,992 0.043,993 1,994 1,995 1.222,996 2.532,997 90.555,998 0.222,999 9,1000 53.303,1005 9.564,1006 3.638,1007 1.443,1009 53.414,1010 7.068,1015 1.236,1018 251.732,1019 20,1024 22.983,1028 -0.827,1031 22.52,1032 24.42,1034 0.396,1035 0.735,1036 0.857,1037 0.939,1038 0.959,1039 0.959,1040 4.27,1041 -0.505,1042 5.165,1043 0.31,1044 3.761,1045 4.248,1046 1.356,1047 6.052,1048 3.714,1049 5.465,1050 -0.831,1051 6.777,1052 -0.985,1053 3.434,1054 4.06,1055 0.325,1056 7.13,1057 3.416,1058 6.778,1059 -1,1060 8.5,1061 -1.824,1062 5.407,1063 6.381,1064 1.511,1065 10.308,1066 5.347,1067 8.136,1068 -1.361,1069 10.287,1070 -2.277,1071 5.969,1072 7.052,1073 0.653,1074 12.241,1075 5.925,1076 9.535,1077 -1.701,1078 12.113,1079 -3.5,1080 7.431,1081 8.856,1082 1.739,1083 14.943,1084 7.356,1085 10.962,1086 -1.867,1087 13.965,1088 -4.895,1089 8.379,1090 9.917,1091 1.001,1092 17.206,1093 8.306,1094 12.413,1095 -1.911,1096 15.835,1097 -5.314,1098 9.661,1099 11.514,1100 1.993,1101 19.752,1102 9.568,1103 3.302,1104 -2,1105 17.719,1106 -7.022,1107 10.764,1108 12.757,1109 1.37,1110 22.141,1111 10.665,1112 2.183,1113 11.717,1114 19.614,1115 -7.18,1116 11.986,1117 14.264,1118 2.264,1119 24.633,1120 11.872,1121 2.097,1122 7.026,1123 21.517,1124 4.128,1125 13.147,1126 15.594,1127 1.754,1128 27.068,1129 13.023,1130 1.355,1131 6.6,1132 23.428,1133 2.966,1134 14.35,1135 17.057,1136 2.551,1137 29.54,1138 14.213,1139 1.256,1140 2.965,1141 25.344,1142 2.49,1143 15.532,1144 18.43,1145 2.143,1146 31.992,1147 15.384,1148 0.819,1149 2.705,1150 27.264,1151 1.97,1152 16.729,1153 19.872,1154 2.851,1155 34.457,1156 16.569,1157 0.165,1158 1.674,1159 29.189,1160 1.486,1161 17.919,1162 21.266,1163 2.535,1164 36.915,1165 17.748,1166 1201,1167 2479,1168 9.652,1169 16.313,1170 22.928,1171 25.056,1172 24.099,1173 22.516,1174 22.351,1175 28.695,1176 2.986,1177 65.993,1178 21.521,1179 5.457,1180 5.977,1181 6.726,1182 5.29,1183 5.302,1184 7.128,1185 2.293,1186 18.896,1187 5.264,1188 6.931,1189 1.529,1190 1.67,1191 1.607,1192 1.501,1193 1.49,1194 1.913,1195 0.199,1196 4.4,1197 1.435,1198 4.016,1199 4.037,1200 6.88,1201 3.92,1202 7.497,1203 3.929,1204 3.53,1205 3.581,1206 3.977,1207 3.42,1208 7.352,1209 3.386,1210 3.331,1211 3.347,1212 3.407,1213 3.188,1214 4.714,1215 3.18,1216 2.89,1217 2.945,1218 3.056,1219 2.766,1220 4.105,1221 2.749,1222 2.605,1223 2.613,1224 2.671,1225 2.418,1226 3.689,1227 2.443,1228 2.517,1229 2.585,1230 2.544,1231 2.322,1232 3.612,1233 2.261,1234 2.241,1235 2.276,1236 2.306,1237 1.866,1238 3.066,1239 1.91,1240 1.551,1241 1.723,1242 1.708,1243 1.231,1244 2.427,1245 1.117,1246 0.306,1247 0.265,1248 0.464,1249 0.286,1250 0.22,1251 4.583,1252 0.275,1253 3.977,1254 0.08,1255 6.967,1256 0.781,1257 4.29,1258 0.218,1259 3.302,1260 4.128,1261 1.2,1262 11.717,1263 3.264,1264 1.882,1265 1.859,1266 1.985,1267 1.966,1268 1.132,1269 1.974,1270 1.551,1271 1.508,1272 1.709,1273 1.767,1274 1.004,1275 1.759,1276 1.246,1277 1.233,1278 1.331,1279 1.456,1280 0.344,1281 1.435,1282 0.879,1283 0.833,1284 1.08,1285 1.064,1286 0.22,1287 1.074,1288 0.772,1289 0.719,1290 1.01,1291 0.976,1292 0.096,1293 1.005,1294 0.341,1295 0.231,1296 0.779,1297 0.653,1299 0.721,1302 0.312,1303 0.433,1305 0.355,1308 0.3,1309 0.047,1311 0.145,1312 3.434,1314 4.745,1315 2.398,1316 6.282,1317 4.949,1318 7.921,1319 7.195,1320 9.613,1321 3.253,1328 1.196,1333 1.506,1340 15.583,1341 38.888,1342 72.107,1343 84.107,1344 92.107,1345 94.107,1346 94.107,1347 24.352,1348 5.717,1349 39.07,1350 39.07,1351 11,1352 12.021,1353 3.17,1354 2.585,1355 21.083,1356 29,1357 30,1358 0.415,1359 103.971,1360 180.6,1361 245.449,1362 1570,1363 4.5,1364 10.129,1365 0.724,1366 0.639,1367 11.129,1368 8.951,1369 6.753,1370 0.45,1371 0.359,1372 4.282,1373 5.954,1374 4.131,1375 3.369,1376 7.46,1377 5.388,1378 5.783,1379 0.275,1380 0.18,1381 6.283,1382 3.785,1383 5.227,1384 0.174,1385 0.085,1386 5.516,1387 2.542,1388 4.353,1389 0.109,1390 0.048,1391 4.686,1392 1.909,1393 3.453,1394 0.075,1395 0.029,1396 3.93,1397 1.327,1398 0.587,1399 52.465,1400 0.322,1401 13.679,1402 1.347,1403 72,1404 251.771,1405 133.631,1406 273.257,1407 351.22,1408 254,1409 87,1410 220.661,1411 113.047,1412 228.231,1413 340.34,1414 215,1415 4}
{0 CHEMBL223001,1 1.648,2 4.714,3 0.661,4 0.436,5 48.26,6 9.009,7 0.4,8 3.18,9 3.256,10 2.895,11 2.767,12 4.504,13 2.789,14 3.665,15 3.779,16 3.298,17 3.114,18 5.041,19 3.139,20 3.854,21 3.969,22 3.384,23 3.146,24 5.497,25 3.199,26 3.766,27 3.876,28 3.239,29 3.024,30 5.476,31 3.062,32 3.685,33 3.818,34 2.775,35 2.668,36 5.441,37 2.676,38 3.197,39 3.406,40 1.611,41 2.041,42 4.561,43 1.917,44 2.428,45 2.775,46 0.399,47 1.271,48 3.091,49 0.978,50 1.298,51 1.682,52 0.021,53 0.361,54 1.386,55 0.189,56 0.078,57 0.283,58 2.476,59 1.779,60 14.328,61 1.774,62 0.208,63 0.456,64 5.394,65 2.869,66 28.489,67 3.162,68 0.401,69 0.514,70 7.658,71 3.219,72 76.31,73 2.993,74 0.308,75 0.451,76 6.578,77 3.235,78 62.865,79 3.16,80 0.438,81 0.372,82 7.718,83 2.952,84 92.621,85 2.51,86 0.285,87 0.22,88 6.138,89 1.946,90 59.481,91 1.89,92 0.092,93 0.106,94 3.715,95 1.064,96 17.851,97 1.684,98 0.026,99 0.027,100 1.331,101 0.302,102 5.082,103 0.578,104 18,105 22,106 0.343,107 0.661,108 0.768,109 0.847,110 0.867,111 0.867,112 2.738,113 0.822,114 -2.34,115 -2.37,116 -2.33,121 47.6,122 1,144 4,145 1,146 1,159 1,160 2,176 4,179 2,180 5,187 4,191 2,192 4,200 2,205 1,206 8,214 2,218 1,219 6,227 2,232 1,239 1,281 140,282 9.104,283 9.104,284 9.104,285 9.104,286 9.104,287 8.036,288 9.572,289 5.198,290 9.124,291 7.343,292 7.343,293 7.343,294 7.343,295 7.343,296 5.616,297 12.005,298 2.389,299 7.349,300 2.744,301 1.215,302 0.703,303 0.322,304 0.226,305 0.226,306 3.368,311 1,312 1,313 134,314 2.345,317 24.503,318 30.263,321 46.605,325 0.755,326 25.69,329 1,330 0.67,331 0.83,332 0.4,334 1,335 1,336 0.7,337 31.5,338 66,339 4.617,340 4.054,341 7.061,342 4.328,343 3.342,344 4.152,345 1.953,346 12.051,347 3.296,348 3.713,349 3.51,350 5.891,351 3.384,352 2.381,353 3.033,354 1.081,355 7.746,356 2.374,357 3.574,358 2.897,359 5.542,360 3.156,361 2.126,362 2.83,363 0.119,364 6.614,365 2.176,366 2.94,367 2.639,368 4.398,369 2.506,370 1.473,371 2.007,373 3.769,374 1.509,375 2.837,376 1.682,377 3.641,378 2.358,379 1.354,380 1.97,382 2.952,383 1.357,384 2.375,385 1.318,386 3.483,387 1.823,388 0.78,389 1.153,391 1.868,392 0.806,393 1.557,394 0.939,395 2.725,396 1.028,397 -0.06,398 -0.091,400 -0.139,401 -0.064,402 0.794,403 0.278,404 2.335,405 0.332,406 -0.69,407 -0.917,409 -1.705,410 -0.696,411 0.571,412 -0.018,413 2,414 0.102,415 -0.921,416 -1.293,418 -2,419 -0.922,420 0.413,421 -0.754,422 1.708,423 0.075,424 -1,425 -1.426,427 -2.253,428 -1.094,429 0.143,430 -0.828,431 1.457,432 -0.254,433 -1.348,434 -2,436 -3.545,437 -1.475,438 -0.459,439 -1.249,440 1.263,441 -0.676,442 -1.669,443 -2,445 -5.201,446 -1.638,447 -0.5,448 -1.575,449 1.176,450 -0.921,451 -1.862,452 -2.193,453 -0.646,454 -5.719,455 -1.757,456 -0.726,457 -1.813,458 1,459 -0.941,460 -1.906,461 -2.225,462 -1.09,463 -7.074,464 -1.871,465 -0.851,466 -2,467 0.322,468 -1,469 -2,470 -3,471 -1.417,472 -7.365,473 -2,474 6.4,475 0.457,476 0.46,477 0.033,478 20,479 1.429,480 11,481 0.786,482 9,483 0.643,484 7.187,485 0.513,486 14.6,487 0.695,488 13.079,489 0.934,490 4.141,491 0.296,492 2.485,493 0.178,494 0.234,496 0.453,501 0.556,502 1.25,503 0.581,504 1.01,505 0.524,506 0.857,507 0.503,508 1.113,509 0.555,510 0.931,511 0.583,512 0.811,513 1.032,514 0.856,515 0.86,516 0.807,517 1.003,518 0.762,519 0.955,520 1.17,521 0.912,522 1.239,523 0.896,524 1.102,525 1.598,526 1.048,527 1.561,528 1.213,529 1.587,530 1.341,531 1.748,532 0.786,533 1.859,534 0.958,535 1.812,536 1.339,537 0.427,538 0.627,539 0.908,540 0.778,541 0.451,542 0.964,549 2.5,551 2,552 2.236,553 0.907,554 0.261,555 0.08,559 1054,560 4156,561 1.952,562 33.3,564 4,568 3,572 1.52,573 1.75,574 2.334,575 -0.696,579 1,582 34.613,583 1.648,584 3.178,585 3.69,586 4.071,587 4.166,588 4.166,589 1.809,590 3.236,591 3.781,592 2.368,593 215.527,594 6.354,595 1690.23,597 1,600 92.239,601 1.557,602 3.689,603 0.167,605 0.091,606 0.097,607 0.048,608 0.026,609 0.04,613 0.469,614 0.83,615 1,616 1.06,617 50.671,618 -0.028,619 -0.202,620 0.028,621 -0.072,622 -0.042,623 -0.024,624 0.154,625 -0.064,626 0.205,627 -0.001,628 0.015,629 0.075,630 -0.024,631 0.177,632 0.012,633 0.105,634 -0.011,635 0.092,636 0.023,637 -0.229,638 -0.033,639 -0.301,640 0.105,641 -0.209,642 -0.251,643 -0.191,644 -0.492,645 -0.268,646 -0.165,647 -0.415,648 -0.475,649 0.021,650 -0.594,651 0.039,652 -0.488,653 -0.235,654 0.21,655 0.154,656 0.624,657 0.315,658 0.133,659 0.535,660 0.528,661 0.753,662 1.893,663 1.173,664 0.441,665 1.807,666 2.432,667 4.368,668 0.643,669 6.429,670 1.035,671 1.113,672 1.11,673 1.232,674 0.698,675 2.773,676 3.135,677 3.466,678 3.761,679 3.871,680 3.738,681 3.584,682 3.401,683 2.773,684 2.398,685 3.207,686 0.702,687 189.18,688 2.773,689 4.317,690 5.198,691 6.111,692 7.017,693 7.935,694 8.846,695 9.765,696 10.677,697 11.596,698 4.8,705 1,715 4,720 2,722 6,727 1,741 21,743 9,744 1,745 15,747 22,748 10,749 6,750 2,751 4,752 2,756 2,757 3,763 1,772 9,773 1,777 3,782 3,786 3,790 1,793 7,794 4,796 4,802 1,805 1,808 0.5,809 3,828 1,829 1,832 1,859 1,864 1,868 14,881 1,893 14.3,896 3,901 8,902 4.283,903 3.083,904 1.213,907 1.584,908 1.277,909 0.96,910 1.796,911 7.301,912 3.091,913 3.651,914 4.216,915 4.761,916 5.193,917 5.27,918 5.446,919 5.528,920 5.124,921 5.078,922 1,923 23,924 5.196,925 0.002,926 2.321,927 0.026,929 8.452,931 9.25,932 0.001,933 7.465,934 -0.001,936 2.952,937 41.333,938 0.002,941 82.398,942 67.215,943 3.124,945 75.435,948 67.215,949 157.832,950 3.124,951 8.825,952 3.124,953 37.905,954 89.978,955 5.942,957 82.398,959 82.398,960 70.34,961 75.435,964 82.398,965 75.435,968 11.95,969 58.39,972 82.398,973 78.559,974 67.215,977 82.398,978 20.485,979 49.855,981 75.435,982 82.398,983 78.559,984 67.215,986 0.595,987 0.373,988 0.215,989 0.11,990 12,991 6,994 1,995 1.222,996 2.466,997 92.544,998 0.222,999 9,1000 53.303,1005 8.791,1006 2.86,1007 1.125,1009 78.559,1010 6.465,1015 0.683,1018 228.172,1019 21,1024 33.845,1028 -1.817,1031 21.735,1032 23.372,1034 0.375,1035 0.723,1036 0.84,1037 0.927,1038 0.948,1039 0.948,1040 4.337,1041 -0.69,1042 5.231,1043 -0.139,1044 3.807,1045 4.331,1046 2.263,1047 6.142,1048 3.806,1049 5.565,1050 -0.921,1051 6.864,1052 -1.705,1053 3.611,1054 4.248,1055 1.668,1056 7.273,1057 3.609,1058 6.895,1059 -1,1060 8.604,1061 -2,1062 5.485,1063 6.474,1064 3.114,1065 10.444,1066 5.456,1067 8.263,1068 -1.348,1069 10.403,1070 -2.253,1071 6.111,1072 7.181,1073 3.157,1074 12.412,1075 6.073,1076 9.665,1077 -1.669,1078 12.239,1079 -3.545,1080 7.533,1081 8.942,1082 4.217,1083 15.126,1084 7.47,1085 11.093,1086 -1.862,1087 14.101,1088 -5.201,1089 8.511,1090 10.015,1091 4.581,1092 17.42,1093 8.434,1094 12.543,1095 -1.906,1096 15.981,1097 -5.719,1098 9.782,1099 11.593,1100 5.448,1101 19.985,1102 9.683,1103 3.342,1104 -2,1105 17.875,1106 -7.074,1107 10.901,1108 12.842,1109 5.967,1110 22.404,1111 10.787,1112 2.381,1113 12.051,1114 19.78,1115 -7.365,1116 12.123,1117 14.34,1118 6.737,1119 24.919,1120 11.992,1121 2.126,1122 7.746,1123 21.693,1124 4.152,1125 13.296,1126 15.675,1127 7.331,1128 27.382,1129 13.149,1130 1.473,1131 6.614,1132 23.614,1133 3.033,1134 14.506,1135 17.136,1136 8.052,1137 29.88,1138 14.343,1139 1.354,1140 3.769,1141 25.541,1142 2.83,1143 15.699,1144 18.515,1145 8.683,1146 32.36,1147 15.521,1148 0.78,1149 2.952,1150 27.473,1151 2.007,1152 16.905,1153 19.957,1154 9.379,1155 34.852,1156 16.712,1157 -0.06,1158 1.868,1159 29.409,1160 1.97,1161 18.107,1162 21.358,1163 10.029,1164 37.338,1165 17.899,1166 1156,1167 2353,1168 9.364,1169 14.653,1170 23.628,1171 25.604,1172 24.831,1173 22.887,1174 22.912,1175 30.29,1176 6.305,1177 70.001,1178 23.034,1179 5.468,1180 6.054,1181 6.74,1182 5.328,1183 5.342,1184 7.152,1185 3.369,1186 19.416,1187 5.296,1188 7.798,1189 1.575,1190 1.707,1191 1.655,1192 1.526,1193 1.527,1194 2.019,1195 0.42,1196 4.667,1197 1.536,1198 4.017,1199 4.035,1200 3.989,1201 3.918,1202 7.5,1203 3.929,1204 3.542,1205 3.577,1206 3.466,1207 3.348,1208 7.426,1209 3.374,1210 3.335,1211 3.348,1212 3.264,1213 3.127,1214 7.351,1215 3.151,1216 2.886,1217 2.948,1218 2.755,1219 2.743,1220 4.706,1221 2.733,1222 2.605,1223 2.613,1224 2.545,1225 2.417,1226 3.875,1227 2.443,1228 2.532,1229 2.585,1230 2.361,1231 2.163,1232 3.627,1233 2.207,1234 2.295,1235 2.27,1236 2.157,1237 1.815,1238 3.6,1239 1.919,1240 1.577,1241 1.722,1242 1.341,1243 1.149,1244 2.758,1245 1.136,1246 0.308,1247 0.27,1248 0.471,1249 0.289,1250 0.223,1251 4.617,1252 0.277,1253 4.054,1254 0.13,1255 7.061,1256 0.803,1257 4.328,1258 0.22,1259 3.342,1260 4.152,1261 1.953,1262 12.051,1263 3.296,1264 1.881,1265 1.858,1266 1.982,1267 1.966,1268 1.084,1269 1.971,1270 1.52,1271 1.494,1272 1.715,1273 1.777,1274 0.735,1275 1.742,1276 1.242,1277 1.223,1278 1.362,1279 1.489,1280 0.335,1281 1.456,1282 0.884,1283 0.829,1284 1.087,1285 1.096,1286 0.193,1287 1.093,1288 0.773,1289 0.719,1290 1.025,1291 0.977,1292 0.008,1293 1.007,1294 0.235,1295 0.199,1296 0.493,1297 0.659,1299 0.595,1302 0.3,1303 0.433,1305 0.342,1308 0.203,1309 0.047,1311 0.144,1312 3.434,1314 4.779,1315 2.398,1316 6.337,1317 4.949,1318 7.99,1319 7.209,1320 9.693,1322 1.257,1333 0.9,1340 14.746,1341 34.613,1342 66.729,1343 77.484,1344 85.484,1345 87.484,1346 87.484,1347 29.332,1348 5.717,1349 56.14,1350 56.14,1351 11,1352 12.106,1353 3.322,1354 2.807,1355 21.016,1356 28,1357 20,1358 0.436,1359 93.126,1360 167.47,1361 218.987,1362 1535,1364 10.293,1365 0.735,1366 0.534,1367 10.293,1368 7.481,1369 6.626,1370 0.442,1371 0.274,1372 4.046,1373 6.333,1374 3.935,1375 3.258,1376 6.626,1377 4.111,1378 6.152,1379 0.28,1380 0.137,1381 6.152,1382 3.006,1383 5.251,1384 0.169,1385 0.068,1386 5.251,1387 2.102,1388 4.551,1389 0.108,1390 0.036,1391 4.551,1392 1.499,1393 3.377,1394 0.072,1395 0.019,1396 3.377,1397 0.912,1398 0.608,1399 41.987,1400 0.327,1401 13.49,1402 1.46,1403 74,1404 288.852,1405 83.613,1406 271.912,1407 356.08,1408 250,1409 90,1410 250.134,1411 99.808,1412 249.866,1413 370.37,1414 235,1415 4}
{0 CHEMBL223039,1 1.953,2 4.308,3 1.999,4 3.997,5 48.304,6 13.501,7 0.429,8 2.969,9 3.009,10 3.004,11 2.683,12 4.349,13 2.698,14 3.425,15 3.463,16 3.477,17 3.08,18 4.919,19 3.087,20 3.633,21 3.685,22 3.648,23 3.111,24 5.392,25 3.108,26 3.42,27 3.466,28 3.526,29 2.874,30 5.129,31 2.848,32 2.986,33 3.036,34 3.27,35 2.096,36 5.123,37 2.137,38 1.729,39 1.923,40 0.295,41 0.509,42 3.135,43 0.491,56 0.152,57 0.196,58 0.942,59 0.846,60 19.364,61 0.643,62 0.264,63 0.3,64 1.939,65 1.458,66 33.436,67 1.2,68 0.467,69 0.33,70 7.489,71 2.488,72 73.023,73 1.962,74 0.401,75 0.235,76 8.355,77 2.191,78 52.201,79 1.51,80 0.365,81 0.142,82 8.317,83 1.771,84 47.829,85 1.172,86 0.117,87 0.045,88 1.731,89 0.682,90 23.769,91 0.493,104 17,105 21,106 0.438,107 0.757,108 0.813,109 0.869,110 0.897,111 0.897,112 2.673,113 0.901,114 -3.36,115 -3.34,116 -3.2,121 50,144 2,145 1,146 3,159 1,160 1,176 1,180 1,183 1,185 1,187 4,191 1,192 1,195 1,197 2,200 4,206 2,211 2,219 6,227 1,281 116,282 8.345,283 8.345,284 8.345,285 8.345,286 8.345,287 7.304,288 9.541,289 4.631,290 8.569,291 6.836,292 6.836,293 6.836,294 6.836,295 6.836,296 5.171,297 11.903,298 2.147,299 7.28,300 2.047,301 0.625,302 0.375,303 0.125,306 3.295,308 2,312 1,313 114,314 1.732,317 21.25,318 27.306,321 41.2,325 0.639,326 22.853,329 1,330 0.83,331 1,332 0.4,334 1,335 1,336 0.75,337 29.167,338 56,339 4.619,340 3.919,341 6.937,342 4.258,343 3.28,344 4.287,345 1.058,346 11.596,347 3.205,348 3.81,349 3.205,350 5.767,351 3.384,352 2.408,353 3.179,355 7.429,356 2.298,357 3.536,358 2.941,359 5.438,360 3.077,361 2.199,362 2.848,364 6.584,365 1.859,366 2.932,367 2.682,368 4.469,369 2.462,370 1.474,371 2.068,373 4.084,374 1.426,375 2.627,376 1.917,377 4.138,378 2.152,379 1.181,380 1.509,382 3.209,383 1.07,384 1.523,385 0.895,386 2.77,387 1.036,388 0.212,389 0.26,391 0.458,392 0.136,393 1.26,394 0.819,395 2.565,396 0.739,397 -0.242,398 -0.354,400 -0.578,401 -0.216,402 0.598,403 0.18,404 2.344,405 0.128,406 -0.885,407 -1.099,409 -2.254,410 -0.579,411 0.243,412 -0.348,413 1.752,414 -0.257,415 -1,416 -1.268,418 -2.546,419 -0.892,421 -1.01,422 1.482,423 -0.425,424 -1.392,425 -1.945,427 -3.894,428 -1.208,429 -0.242,430 -1.141,431 1.307,432 -0.752,433 -1.531,434 -2,436 -4.214,437 -1.501,438 -0.5,439 -1.53,440 1.258,441 -0.82,442 -1.791,443 -2.213,445 -5.705,446 -1.747,447 -0.58,448 -1.809,449 1.087,450 -0.982,451 -1.914,452 -2.272,454 -6.949,455 -1.852,456 -0.826,457 -2,458 0.686,459 -1,460 -2,461 -3,462 -1.058,463 -7.222,464 -2,474 6.495,475 0.5,476 0.477,477 0.037,478 18,479 1.385,480 9.5,481 0.731,482 8.5,483 0.654,484 7.563,485 0.582,486 13.305,487 0.832,488 10.671,489 0.821,490 3.597,491 0.277,492 2.512,493 0.193,494 0.323,496 0.462,501 0.666,502 0.969,503 0.468,504 0.537,505 0.579,506 0.527,507 0.663,508 1.144,509 0.568,510 0.72,511 0.648,512 0.757,513 0.962,514 1.031,515 1.078,516 0.992,517 0.919,518 1.028,519 1.326,520 1.047,521 1.685,522 1.365,523 1.169,524 1.299,525 1.06,526 0.899,527 1.11,528 1.698,529 1.32,530 1.459,531 2.738,533 0.864,534 0.021,535 3.557,536 0.842,549 3,551 2.222,552 1.667,553 1.089,554 0.142,559 855,560 4872,561 1.948,562 18.8,564 2,567 1,572 1.495,573 1.733,574 2.249,575 -0.053,582 31.245,583 1.953,584 3.375,585 3.625,586 3.875,587 4,588 4,589 1.46,590 3.547,591 3.678,592 2.234,593 174.226,594 6.138,595 1313.55,597 1,600 64,601 1.526,602 3.574,603 0.214,605 0.106,606 0.079,607 0.073,608 0.02,613 0.492,614 1,615 1,616 0.808,617 45.218,618 -0.084,619 0.059,620 -0.017,621 0.082,622 -0.047,623 0.086,624 0.004,625 -0.167,626 -0.004,627 -0.035,628 -0.017,629 -0.076,630 -0.026,631 -0.1,632 -0.15,633 -0.058,634 0.024,635 -0.096,636 -0.298,637 -0.176,638 -0.382,639 -0.326,640 -0.236,641 -0.306,642 0.396,643 -0.06,644 0.404,645 -0.383,646 0.241,647 -0.165,648 -1.086,649 0.998,650 0.171,651 1.825,652 -1.307,653 1.449,666 2.356,667 4.214,668 0.692,669 5.148,670 1.073,671 1.102,672 2.13,673 4.539,674 0.822,675 2.708,676 3.091,677 3.401,678 3.664,679 3.807,680 3.638,681 3.401,682 3.367,683 2.708,684 1.099,685 3,686 0.822,687 216.02,688 2.708,689 4.263,690 5.142,691 6.052,692 6.954,693 7.864,694 8.771,695 9.681,696 10.589,697 11.499,698 6.3,705 1,715 2,720 4,722 6,727 1,740 2,741 16,743 8,744 1,745 14,747 17,748 8,749 6,750 4,751 2,752 2,756 2,757 3,758 2,772 8,777 2,782 2,786 2,793 3,794 3,795 1,796 5,797 2,802 1,808 0.5,809 2,828 1,829 1,832 1,843 1,859 1,865 2,868 13,877 1,892 2,893 12.5,896 2,901 7.5,902 3.036,903 2.806,904 0.87,907 1.54,908 1.275,909 0.992,910 1.875,911 7.139,912 2.996,913 3.624,914 4.216,915 4.735,916 5.214,917 5.269,918 5.306,919 5.471,920 5.03,921 3.841,922 0.667,923 21,924 4.776,925 -0.003,926 2.158,927 0.026,929 8.479,931 8.437,932 -0.001,933 6.925,934 0.001,936 2.979,937 38.722,938 0.002,941 23.542,942 41.734,943 18.011,944 78.297,945 50.29,948 41.734,949 152.129,950 18.011,952 18.011,953 18.952,954 60.128,955 12.944,957 23.542,958 78.297,959 23.542,960 59.745,961 50.29,962 78.297,964 23.542,965 50.29,968 18.011,969 41.734,970 78.297,972 23.542,973 68.301,974 120.031,977 23.542,978 22.782,979 18.952,980 18.011,981 128.587,982 23.542,983 68.301,984 120.031,986 0.607,987 0.378,988 0.201,989 0.109,990 12,991 6,994 1,995 1.222,996 2.366,997 83.648,998 0.222,999 9,1000 48.106,1005 8.691,1006 2.805,1007 1.165,1009 68.301,1010 3.016,1015 1.032,1017 18.011,1018 211.874,1019 19,1024 22.172,1028 -1.326,1031 17.171,1032 17.636,1034 0.488,1035 0.844,1036 0.906,1037 0.969,1038 1,1039 1,1040 4.256,1041 -0.885,1042 5.187,1043 -0.578,1044 3.761,1045 4.304,1046 1.176,1047 6.084,1048 3.653,1049 5.51,1050 -1,1051 6.817,1052 -2.254,1053 3.611,1054 4.369,1056 7.168,1057 3.43,1058 6.86,1059 -1.392,1060 8.545,1061 -2.546,1062 5.442,1063 6.546,1064 1.255,1065 10.313,1066 5.283,1067 8.246,1068 -1.531,1069 10.328,1070 -3.894,1071 6.066,1072 7.369,1074 12.215,1075 5.864,1076 9.662,1077 -1.791,1078 12.144,1079 -4.214,1080 7.459,1081 9.102,1082 1.338,1083 14.909,1084 7.267,1085 11.1,1086 -1.914,1087 13.985,1088 -5.705,1089 8.414,1090 10.262,1092 17.146,1093 8.198,1094 12.556,1095 -2,1096 15.844,1097 -6.949,1098 9.661,1099 11.832,1100 1.422,1101 19.684,1102 9.441,1103 3.28,1105 17.718,1106 -7.222,1107 10.753,1108 13.147,1110 22.054,1111 10.514,1112 2.408,1113 11.596,1114 19.603,1116 11.954,1117 14.652,1118 1.51,1119 24.537,1120 11.703,1121 2.199,1122 7.429,1123 21.497,1124 4.287,1125 13.103,1126 16.039,1128 26.957,1129 12.832,1130 1.474,1131 6.584,1132 23.4,1133 3.179,1134 14.291,1135 17.517,1136 1.599,1137 29.419,1138 14.003,1139 1.181,1140 4.084,1141 25.308,1142 2.848,1143 15.462,1144 18.939,1146 31.858,1147 15.153,1148 0.212,1149 3.209,1150 27.222,1151 2.068,1152 16.648,1153 20.405,1154 1.69,1155 34.313,1156 16.319,1157 -0.242,1158 0.458,1159 29.14,1160 1.509,1161 17.828,1162 21.844,1164 36.76,1165 17.478,1166 946,1167 2297,1168 8.671,1169 13.153,1170 21.808,1171 24.035,1172 23.497,1173 21.593,1174 21.508,1175 28.302,1176 2.117,1177 66.722,1178 19.99,1179 5.444,1180 5.919,1181 6.251,1182 5.258,1183 5.28,1184 7.287,1185 2.117,1186 18.817,1187 5.205,1188 7.36,1189 1.558,1190 1.717,1191 1.678,1192 1.542,1193 1.536,1194 2.022,1195 0.151,1196 4.766,1197 1.428,1198 4.006,1199 4.015,1200 4.14,1201 3.931,1202 7.499,1203 3.935,1204 3.444,1205 3.453,1206 3.637,1207 3.258,1208 7.352,1209 3.29,1210 2.978,1211 2.982,1212 3.532,1213 2.901,1214 4.988,1215 2.879,1216 2.608,1217 2.612,1218 2.824,1219 2.429,1220 4.663,1221 2.449,1222 2.524,1223 2.538,1224 2.626,1225 2.134,1226 4.034,1227 2.211,1228 1.95,1229 1.983,1230 2.508,1231 1.66,1232 3.829,1233 1.611,1234 1.53,1235 1.678,1236 1.817,1237 1.224,1238 2.998,1239 1.211,1240 1.51,1241 1.49,1242 1.541,1243 1.183,1244 2.658,1245 1.127,1246 0.33,1247 0.28,1248 0.496,1249 0.304,1250 0.234,1251 4.619,1252 0.306,1253 3.919,1254 0.076,1255 6.937,1256 0.828,1257 4.258,1258 0.229,1259 3.28,1260 4.287,1261 1.058,1262 11.596,1263 3.205,1264 1.864,1265 1.856,1266 1.89,1267 1.92,1268 1.07,1269 1.926,1270 1.364,1271 1.364,1272 1.401,1273 1.647,1274 0.302,1275 1.572,1276 0.944,1277 0.897,1278 1.122,1279 1.164,1280 0.2,1281 1.152,1282 0.726,1283 0.732,1284 0.751,1285 0.817,1287 0.843,1290 0.291,1291 0.388,1293 0.329,1296 0.035,1297 0.288,1299 0.233,1305 0.003,1312 3.367,1314 4.727,1315 2.398,1316 6.29,1317 4.844,1318 7.946,1319 7.034,1320 9.653,1323 11.477,1329 2.351,1340 13.16,1341 31.245,1342 54,1343 58,1344 62,1345 64,1346 64,1347 24.52,1348 5.598,1349 49.93,1350 49.93,1351 11,1352 12.014,1353 3.17,1354 2.585,1355 18.91,1356 24,1357 18,1358 0.454,1359 89.538,1360 157.14,1361 210.233,1362 1310,1363 12.5,1364 9.585,1365 0.737,1366 0.595,1367 10.585,1368 7.739,1369 6.109,1370 0.436,1371 0.3,1372 3.462,1373 5.338,1374 3.347,1375 2.715,1376 6.686,1377 4.203,1378 5.845,1379 0.278,1380 0.161,1381 6.587,1382 3.377,1383 5.108,1384 0.176,1385 0.083,1386 5.804,1387 2.405,1388 4.055,1389 0.107,1390 0.043,1391 4.676,1392 1.628,1393 3.268,1394 0.074,1395 0.026,1396 4.119,1397 1.128,1398 0.627,1399 44.568,1400 0.34,1401 12.448,1402 1.533,1403 70,1404 282.211,1405 107.411,1406 328.159,1407 412.58,1408 300,1409 85,1410 244.252,1411 115.561,1412 265.17,1413 394.01,1414 249,1415 4}
{0 CHEMBL223170,1 1.473,2 17.711,3 7.085,4 50.192,5 154.288,6 7.335,7 0.5,8 4.35,9 4.478,10 3.906,11 3.948,12 5.376,13 3.9,14 4.919,15 5.101,16 4.26,17 4.373,18 5.865,19 4.287,20 5.236,21 5.478,22 4.326,23 4.509,24 6.132,25 4.393,26 5.239,27 5.484,28 4.261,29 4.47,30 6.16,31 4.347,32 5.216,33 5.47,34 4.182,35 4.44,36 6.075,37 4.302,38 5.225,39 5.48,40 4.171,41 4.417,42 6.13,43 4.262,44 5.216,45 5.491,46 4.018,47 4.352,48 6.062,49 4.168,50 5.1,51 5.375,52 3.888,53 4.228,54 5.95,55 4.042,56 0.057,57 1.035,58 15.068,59 6.648,60 10.992,61 9.14,62 0.182,63 1.719,64 29.083,65 11.994,66 22.283,67 16.787,68 0.335,69 2.189,70 45.243,71 16.206,72 49.73,73 22.965,74 0.47,75 2.211,76 45.091,77 15.315,78 60.756,79 21.921,80 0.341,81 2.125,82 43.141,83 15.668,84 46.512,85 22.405,86 0.453,87 2.079,88 44.838,89 16.401,90 59.464,91 23.205,92 0.43,93 1.968,94 48.323,95 16.557,96 65.494,97 23.251,98 0.38,99 1.714,100 45.786,101 14.95,102 60.894,103 20.875,104 11,105 57,106 0.227,107 0.563,108 0.736,109 0.857,110 0.879,111 0.892,112 3.667,113 1.008,114 -4.87,115 -4.78,116 -4.48,121 43.1,123 10,127 2,144 6,145 5,146 2,148 2,153 1,154 1,160 2,176 16,180 6,183 1,185 8,187 19,192 6,197 8,200 13,206 7,209 1,211 9,214 14,219 3,224 4,227 15,232 4,235 2,236 1,237 2,239 18,244 5,248 1,249 2,251 16,256 2,261 2,264 13,268 1,269 1,272 2,274 4,277 11,281 2890,282 26.283,283 26.283,284 26.283,285 26.283,286 26.283,287 23.595,288 25.249,289 15.877,290 26.632,291 20.728,292 20.728,293 20.728,294 20.728,295 20.728,296 16.36,297 22.135,298 7.544,299 21.33,300 4.697,301 2.52,302 1.396,303 0.611,304 0.472,305 0.389,306 4.377,308 1,312 1,313 1487,314 4.359,317 99.218,318 419.71,321 182.548,322 343.363,325 2.524,326 30.192,329 0.75,330 0.67,331 0.67,332 0.7,333 0.5,334 0.67,335 0.5,336 0.64,337 79.833,338 673,339 4.651,340 4.058,341 6.833,342 4.214,343 3.235,344 4.582,345 2.035,346 11.364,347 3.165,348 4.556,349 3.58,350 6.547,351 4.08,352 3.093,353 4.509,354 1.907,355 10.361,356 3.055,357 3.99,358 3.373,359 6.004,360 3.58,361 2.61,362 3.534,363 0.4,364 8.477,365 2.532,366 3.888,367 3.14,368 5.427,369 3.419,370 2.416,371 3.26,372 0.149,373 6.886,374 2.416,375 3.661,376 2.943,377 5.298,378 3.306,379 2.31,380 2.961,382 6.748,383 2.295,384 3.584,385 2.562,386 5.131,387 3.192,388 2.252,389 2.848,391 6.203,392 2.103,393 3.365,394 2.393,395 4.977,396 2.912,397 1.986,398 2.699,400 5.731,401 1.89,402 3.352,403 2.272,404 4.899,405 2.886,406 1.928,407 2.652,409 5.573,410 1.817,411 3.024,412 2.067,413 4.147,414 2.814,415 1.822,416 1.882,418 3.767,419 1.703,420 2.867,421 1.92,422 4.121,423 2.468,424 1.491,425 1.86,427 3.484,428 1.45,429 2.696,430 1.718,431 3.976,432 2.407,433 1.416,434 1.716,436 3.4,437 1.398,438 2.67,439 1.473,440 3.801,441 2.254,442 1.275,443 1.497,445 3.227,446 1.247,447 2.498,448 1.433,449 3.603,450 2.249,451 1.256,452 1.465,454 2.97,455 1.245,456 2.467,457 1.34,458 3.453,459 2.023,460 1.06,461 1.292,463 2.418,464 1.015,465 2.217,466 1.272,467 3.303,468 1.85,469 0.883,470 1.093,472 1.985,473 0.85,474 18.548,475 0.488,476 0.725,477 0.019,478 46.75,479 1.23,480 23,481 0.605,482 23.75,483 0.625,484 38.636,485 1.017,486 40.252,487 0.559,488 33.216,489 0.874,490 8.287,491 0.218,492 10.332,493 0.272,494 0.078,496 0.297,501 0.736,502 1.185,503 0.726,504 0.969,505 0.483,506 0.931,507 0.66,508 1.187,509 0.799,510 1.05,511 0.451,512 1.031,513 0.974,514 1.04,515 0.883,516 0.94,517 0.791,518 0.927,519 1.146,520 1.013,521 0.947,522 0.967,523 1.038,524 1.003,525 0.965,526 1.011,527 0.847,528 0.964,529 0.83,530 0.995,531 0.838,532 1.023,533 0.877,534 1.056,535 0.919,536 1.069,537 1.116,538 0.914,539 1.09,540 1.015,541 1.209,542 1.036,543 1.214,544 0.933,545 1.273,546 1.065,547 1.102,548 1.038,549 6,550 0.119,551 3.778,552 2.229,553 2.044,554 0.976,555 0.731,556 0.378,557 0.277,558 0.147,559 29957,560 73767,561 2.129,562 47.2,563 12,564 10,565 1,567 3,568 4,569 4,572 1.777,573 2.036,574 3.998,575 0.712,582 106.071,583 1.473,584 3.65,585 4.774,586 5.559,587 5.698,588 5.781,589 3.352,590 4.985,591 5.228,592 4.272,593 3003.1,594 9.142,595 57157.5,600 444.235,601 1.226,602 5.198,603 0.143,604 0.004,605 0.066,606 0.038,607 0.039,608 0.02,609 0.016,610 0.01,611 0.008,612 0.005,613 0.349,614 0.17,615 0.63,616 0.565,617 219.726,618 -0.042,619 -0.01,620 0.026,621 0.038,622 0.052,623 0.047,624 0.059,625 -0.099,626 0.008,627 -0.052,628 0.077,629 -0.044,630 -0.044,631 -0.038,632 0.039,633 0.04,634 -0.001,635 0.057,636 -0.083,637 0.02,638 -0.058,639 -0.02,640 -0.074,641 -0.047,642 -0.07,643 -0.013,644 -0.005,645 -0.004,646 -0.019,647 -0.019,648 0.118,649 -0.061,650 0.014,651 -0.079,652 0.046,653 -0.082,654 -0.065,655 0.006,656 -0.045,657 -0.021,658 -0.095,659 -0.038,660 -0.095,661 -0.033,662 -0.088,663 -0.048,664 -0.038,665 -0.029,666 1.591,667 5.338,668 0.605,669 46.371,670 0.992,671 1.123,672 3.641,673 13.254,674 0.677,675 3.761,676 4.06,677 4.344,678 4.625,679 4.883,680 4.977,681 5.075,682 5.17,683 5.147,684 5.024,685 10.57,686 0.633,687 528.15,688 3.761,689 5.293,690 6.142,691 7.015,692 7.886,693 8.771,694 9.653,695 10.544,696 11.433,697 12.328,698 6.9,703 1,705 1,706 1,707 1,708 1,714 4,715 7,716 1,717 1,720 6,722 21,724 1,734 1,740 1,741 72,743 23,744 2,745 42,747 76,748 31,749 17,750 6,751 6,756 5,757 9,758 1,767 4,770 10,771 1,772 18,773 12,777 1,782 1,786 1,793 34,794 5,795 3,796 7,797 1,802 5,808 0.4,809 1,822 1,824 1,828 1,829 4,832 1,833 2,843 1,859 2,865 1,868 38,876 12,877 2,885 1,889 1,891 1,892 1,893 1.4,896 1,901 18.667,902 12.793,903 8.5,904 4.908,907 4.342,908 1.509,909 1.009,910 8.837,911 12.873,912 4.034,913 4.623,914 5.256,915 5.879,916 6.466,917 6.854,918 7.224,919 7.56,920 7.692,921 7.577,922 1,923 59,924 14.094,926 5.984,927 0.026,929 7.617,931 27.655,933 23.326,936 2.117,937 80.444,941 364.904,942 144.773,943 100.652,944 39.149,945 25.145,948 144.773,949 429.198,950 100.652,952 47.567,953 65.905,954 81.248,955 73.706,956 13.915,957 353.133,958 39.149,959 364.904,960 245.425,961 25.145,962 39.149,964 317.82,965 72.229,968 100.313,969 110.315,970 73.945,972 364.904,973 125.797,974 183.922,977 364.904,978 62.266,979 65.905,980 69.409,981 112.138,982 364.904,983 125.797,984 183.922,986 0.569,987 0.332,988 0.184,989 0.107,990 26,991 11,992 0.145,993 11,994 3,995 1.261,996 5.095,997 349.739,998 0.261,999 23,1000 197.421,1005 26.539,1006 12.654,1007 6.512,1008 4.161,1009 109.011,1010 13.544,1011 4.905,1012 3.221,1015 6.286,1017 52.807,1018 674.623,1019 55.5,1024 12.338,1028 0.076,1031 71.414,1032 80.873,1034 0.239,1035 0.592,1036 0.774,1037 0.901,1038 0.923,1039 0.937,1040 5.269,1041 1.928,1042 6.103,1043 5.731,1044 4.745,1045 5.311,1046 2.75,1047 6.899,1048 4.692,1049 6.469,1050 1.822,1051 7.644,1052 5.573,1053 4.205,1054 5.165,1055 1.593,1056 7.781,1057 4.119,1058 7.778,1059 1.491,1060 9.291,1061 3.767,1062 6.312,1063 7.576,1064 3.962,1065 10.916,1066 6.22,1067 9.126,1068 1.416,1069 11.003,1070 3.484,1071 6.648,1072 8.332,1073 3.032,1074 12.693,1075 6.534,1076 10.512,1077 1.275,1078 12.76,1079 3.4,1080 8.176,1081 10.195,1082 5.291,1083 15.341,1084 8.052,1085 11.925,1086 1.256,1087 14.548,1088 3.227,1089 8.94,1090 11.362,1091 4.409,1092 17.486,1093 8.799,1094 13.36,1095 1.06,1096 16.36,1097 2.97,1098 10.233,1099 13.014,1100 6.657,1101 19.975,1102 10.079,1103 3.235,1104 0.883,1105 18.191,1106 2.418,1107 11.207,1108 14.372,1109 5.75,1110 22.272,1111 11.035,1112 3.093,1113 11.364,1114 20.035,1115 1.985,1116 12.407,1117 15.94,1118 8.039,1119 24.706,1120 12.22,1121 2.61,1122 10.361,1123 21.89,1124 4.582,1125 13.48,1126 17.384,1127 7.068,1128 27.067,1129 13.274,1130 2.416,1131 8.477,1132 23.755,1133 4.509,1134 14.646,1135 18.919,1136 9.429,1137 29.484,1138 14.423,1139 2.31,1140 6.886,1141 25.627,1142 3.534,1143 15.764,1144 20.402,1145 8.374,1146 31.873,1147 15.522,1148 2.252,1149 6.748,1150 27.505,1151 3.26,1152 16.921,1153 21.923,1154 10.824,1155 34.286,1156 16.661,1157 1.986,1158 6.203,1159 29.388,1160 2.961,1161 18.06,1162 23.424,1163 9.674,1164 36.688,1165 17.78,1166 27615,1167 43535,1168 28.72,1169 48.762,1170 62.853,1171 65.783,1172 63.203,1173 61.686,1174 61.511,1175 80.227,1176 8.981,1177 172.368,1178 59.677,1179 5.621,1180 6.058,1181 6.722,1182 5.255,1183 5.235,1184 7.582,1185 4.069,1186 18.902,1187 5.165,1188 15.431,1189 1.497,1190 1.566,1191 1.505,1192 1.469,1193 1.465,1194 1.91,1195 0.214,1196 4.104,1197 1.421,1198 4.147,1199 4.179,1200 4.134,1201 4.07,1202 7.429,1203 4.075,1204 4.101,1205 4.13,1206 4.086,1207 4.031,1208 6.82,1209 4.035,1210 3.78,1211 3.844,1212 3.778,1213 3.664,1214 5.039,1215 3.649,1216 3.736,1217 3.78,1218 3.646,1219 3.63,1220 4.944,1221 3.619,1222 3.65,1223 3.704,1224 3.532,1225 3.508,1226 4.685,1227 3.508,1228 3.517,1229 3.578,1230 3.446,1231 3.354,1232 4.275,1233 3.363,1234 3.415,1235 3.479,1236 3.393,1237 3.245,1238 4.231,1239 3.248,1240 3.262,1241 3.324,1242 3.233,1243 3.143,1244 4.181,1245 3.128,1246 0.111,1247 0.097,1248 0.163,1249 0.1,1250 0.077,1251 4.651,1252 0.109,1253 4.058,1254 0.048,1255 6.833,1256 0.271,1257 4.214,1258 0.075,1259 3.235,1260 4.582,1261 2.035,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.149,1267 2.158,1268 1.437,1269 2.159,1270 1.955,1271 1.935,1272 2.036,1273 2.027,1274 1.365,1275 2.03,1276 1.772,1277 1.712,1278 2.013,1279 1.953,1280 1.246,1281 1.973,1282 1.75,1283 1.707,1284 1.925,1285 1.866,1286 1.153,1287 1.892,1288 1.678,1289 1.627,1290 1.869,1291 1.857,1292 1.074,1293 1.867,1294 1.508,1295 1.436,1296 1.763,1297 1.729,1298 1.033,1299 1.742,1300 1.352,1301 1.293,1302 1.545,1303 1.588,1304 0.759,1305 1.583,1306 1.255,1307 1.203,1308 1.474,1309 1.444,1310 0.689,1311 1.458,1312 4.443,1314 5.746,1315 2.398,1316 7.248,1317 4.727,1318 8.853,1319 6.823,1320 10.52,1323 6.235,1328 11.582,1329 6.778,1338 9.139,1339 2.179,1340 45.551,1341 106.071,1342 262.77,1343 343.705,1344 400.235,1345 410.235,1346 416.235,1347 70.169,1348 8.532,1349 93.6,1350 93.6,1351 29,1352 12.855,1353 4.585,1354 3.858,1355 59.896,1356 253,1357 209,1358 0.112,1359 282.338,1360 486.78,1361 680.664,1362 90303,1363 1.4,1364 26.321,1365 0.693,1366 0.591,1367 26.821,1368 22.463,1369 18.619,1370 0.443,1371 0.336,1372 13.674,1373 17.928,1374 13.381,1375 11.054,1376 18.907,1377 14.117,1378 16.18,1379 0.284,1380 0.186,1381 16.588,1382 10.594,1383 13.739,1384 0.181,1385 0.101,1386 14.001,1387 7.706,1388 11.473,1389 0.114,1390 0.055,1391 11.708,1392 5.603,1393 9.61,1394 0.073,1395 0.031,1396 9.841,1397 4.103,1398 0.188,1399 117.588,1400 0.187,1401 35.824,1402 0.275,1403 198,1404 490.228,1405 223.644,1406 519.349,1407 707.4,1408 486,1409 232,1410 500.077,1411 251.913,1412 520.856,1413 759.74,1414 494,1415 9.155}
{0 CHEMBL223254,1 1.562,2 4.308,3 1.643,4 2.699,5 48.777,6 7.964,7 0.429,8 3.203,9 3.304,10 2.819,11 2.8,12 4.411,13 2.788,14 3.704,15 3.857,16 3.223,17 3.176,18 4.922,19 3.159,20 3.85,21 3.971,22 3.297,23 3.239,24 5.362,25 3.218,26 3.923,27 4.125,28 3.019,29 3.147,30 5.108,31 3.07,32 3.851,33 4.095,34 2.533,35 2.737,36 5.142,37 2.625,38 3.227,39 3.453,40 1.057,41 1.782,42 4.615,43 1.633,44 2.195,45 2.648,46 0.062,47 0.835,48 2.303,49 0.485,56 0.032,57 0.3,58 3.777,59 1.986,60 4.644,61 2.362,62 0.109,63 0.478,64 7.463,65 3.402,66 17.225,67 4.327,68 0.217,69 0.533,70 8.376,71 3.802,72 44.695,73 4.56,74 0.143,75 0.568,76 10.426,77 4.089,78 21.839,79 5.296,80 0.227,81 0.468,82 11.435,83 3.683,84 37.422,85 4.742,86 0.295,87 0.196,88 7.16,89 1.743,90 62.857,91 1.697,92 0.046,93 0.074,94 3.017,95 0.806,96 8.596,97 1.428,104 17,105 21,106 0.325,107 0.686,108 0.724,109 0.762,110 0.838,111 0.838,112 2.673,113 0.872,114 -2.82,115 -2.83,116 -2.75,121 45.5,122 2,144 2,145 3,146 1,159 1,160 1,176 6,180 1,183 1,185 2,187 7,191 1,192 2,195 1,197 3,200 5,206 5,211 2,214 2,219 6,227 1,281 116,282 8.345,283 8.345,284 8.345,285 8.345,286 8.345,287 7.304,288 11.025,289 4.631,290 8.347,291 6.836,292 6.836,293 6.836,294 6.836,295 6.836,296 5.171,297 15.03,298 2.147,299 6.812,300 2.898,301 1.16,302 0.978,303 0.796,304 0.432,305 0.432,306 3.295,311 1,312 1,313 114,314 1.732,317 21.25,318 27.306,321 41.2,325 0.639,326 17,329 1,330 0.67,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.83,337 28.5,338 56,339 4.619,340 3.906,341 6.937,342 4.282,343 3.28,344 4.287,345 1.058,346 11.596,347 3.286,348 3.81,349 3.045,350 5.767,351 3.436,352 2.408,353 3.179,355 7.429,356 2.465,357 3.536,358 2.844,359 5.438,360 3.193,361 2.199,362 2.848,364 6.584,365 2.182,366 2.932,367 2.343,368 4.469,369 2.486,370 1.474,371 2.068,373 4.084,374 1.485,375 2.627,376 1.747,377 4.138,378 2.204,379 1.181,380 1.509,382 3.209,383 1.193,384 1.523,385 0.791,386 2.77,387 1.215,388 0.212,389 0.26,391 0.458,392 0.212,393 1.26,394 0.476,395 2.565,396 0.835,397 -0.242,398 -0.354,400 -0.578,401 -0.258,402 0.598,403 0.102,404 2.344,405 0.148,406 -0.885,407 -1.099,409 -2.254,410 -0.897,411 0.243,412 -0.649,413 1.752,415 -1,416 -1.268,418 -2.546,419 -1,421 -1.01,422 1.482,423 -0.317,424 -1.392,425 -1.945,427 -3.894,428 -1.511,429 -0.242,430 -1.27,431 1.307,432 -0.53,433 -1.531,434 -2,436 -4.214,437 -1.531,438 -0.5,439 -1.548,440 1.258,441 -0.792,442 -1.791,443 -2.213,445 -5.705,446 -1.754,447 -0.58,448 -1.815,449 1.087,450 -0.96,451 -1.914,452 -2.272,454 -6.949,455 -1.872,456 -0.826,457 -2,458 0.686,459 -1,460 -2,461 -3,462 -1.058,463 -7.222,464 -2,474 6.067,475 0.467,476 0.477,477 0.037,478 17.5,479 1.346,480 9.5,481 0.731,482 8,483 0.615,484 7.733,485 0.595,486 13.733,487 0.624,488 10.501,489 0.808,490 3.534,491 0.272,492 2.575,493 0.198,494 0.275,496 0.495,501 0.583,502 1.076,503 0.703,504 0.945,505 0.526,506 0.858,507 0.472,508 0.948,509 0.534,510 0.827,511 0.516,512 0.721,513 0.674,514 1.24,515 0.888,516 1.196,517 0.74,518 1.116,519 0.807,520 1.169,521 1.057,522 1.2,523 0.706,524 1.175,525 1.309,526 1.042,527 1.248,528 1.172,529 1.219,530 1.184,531 3.23,532 0.478,533 2.136,534 0.584,535 3.49,536 1.052,549 3,551 2.222,552 1.667,553 1.089,554 0.142,559 855,560 2760,561 1.948,562 40.9,563 6,564 2,567 1,572 1.495,573 1.733,574 2.249,575 -0.202,579 1,582 34.359,583 1.562,584 3.3,585 3.482,586 3.664,587 4.027,588 4.027,589 1.46,590 3.547,591 3.678,592 2.234,593 174.226,594 6.138,595 1313.55,597 1,600 98.107,601 1.526,602 3.574,603 0.214,605 0.106,606 0.079,607 0.073,608 0.02,613 0.492,614 1,615 1,616 0.808,617 45.218,618 -0.048,619 0.022,620 0.013,621 0.047,622 -0.059,623 0.048,624 0.153,625 0.08,626 0.296,627 0.165,628 0.063,629 0.238,630 0.238,631 -0.234,632 -0.056,633 -0.234,634 0.181,635 -0.221,636 -0.059,637 -0.189,638 -0.14,639 -0.257,640 -0.015,641 -0.217,642 -0.159,643 -0.161,644 -0.166,645 -0.256,646 -0.049,647 -0.212,648 -0.912,649 0.268,650 -0.845,651 0.307,652 -0.922,653 -0.165,654 0.421,655 0.697,656 1.391,657 1.019,658 0.351,659 1.349,666 2.188,667 4.358,668 0.692,669 5.148,670 1.013,671 1.117,672 1.594,673 2.542,674 0.68,675 2.708,676 3.091,677 3.401,678 3.664,679 3.807,680 3.638,681 3.401,682 3.367,683 2.708,684 1.099,685 3,686 0.662,687 175.2,688 2.708,689 4.263,690 5.142,691 6.052,692 6.954,693 7.864,694 8.771,695 9.681,696 10.589,697 11.499,698 4.5,705 1,715 2,720 4,722 6,727 1,741 22,743 8,744 1,745 14,747 23,748 10,749 6,750 4,751 2,752 2,756 2,757 3,763 2,772 8,773 2,777 2,782 2,786 2,793 9,794 3,795 1,796 3,802 1,808 0.5,809 2,828 1,829 1,832 1,843 1,859 1,864 2,868 13,877 1,893 9.1,896 2,901 7.5,902 4.75,903 2.806,904 1.299,907 1.54,908 1.275,909 0.978,910 1.572,911 7.139,912 2.996,913 3.624,914 4.216,915 4.735,916 5.214,917 5.269,918 5.306,919 5.471,920 5.03,921 3.841,922 0.667,923 21,924 4.808,925 -0.003,926 2.1,927 0.026,929 8.154,931 8.864,932 -0.001,933 7.256,934 0.001,936 2.654,937 34.5,938 0.005,941 94.169,942 58.755,943 18.011,945 50.29,948 58.755,949 144.459,950 18.011,951 17.65,952 18.011,953 18.952,954 60.128,955 12.313,957 94.169,959 94.169,960 76.765,961 50.29,964 94.169,965 50.29,968 35.661,969 41.104,972 94.169,973 68.301,974 58.755,977 94.169,978 22.152,979 36.603,980 18.011,981 50.29,982 94.169,983 68.301,984 58.755,986 0.607,987 0.378,988 0.201,989 0.109,990 12,991 6,994 1,995 1.222,996 2.366,997 83.648,998 0.222,999 9,1000 48.106,1005 8.145,1006 2.509,1007 1.012,1009 68.301,1010 3.749,1015 2.99,1017 18.011,1018 221.224,1019 19,1024 22.432,1028 -0.941,1031 22.291,1032 24.578,1034 0.35,1035 0.74,1036 0.781,1037 0.822,1038 0.903,1039 0.903,1040 4.256,1041 -0.885,1042 5.187,1043 -0.578,1044 3.761,1045 4.304,1046 1.176,1047 6.084,1048 3.77,1049 5.51,1050 -1,1051 6.817,1052 -2.254,1053 3.611,1054 4.369,1056 7.168,1057 3.64,1058 6.86,1059 -1.392,1060 8.545,1061 -2.546,1062 5.442,1063 6.546,1064 1.255,1065 10.313,1066 5.456,1067 8.246,1068 -1.531,1069 10.328,1070 -3.894,1071 6.066,1072 7.369,1074 12.215,1075 6.097,1076 9.662,1077 -1.791,1078 12.144,1079 -4.214,1080 7.459,1081 9.102,1082 1.338,1083 14.909,1084 7.477,1085 11.1,1086 -1.914,1087 13.985,1088 -5.705,1089 8.414,1090 10.262,1092 17.146,1093 8.443,1094 12.556,1095 -2,1096 15.844,1097 -6.949,1098 9.661,1099 11.832,1100 1.422,1101 19.684,1102 9.683,1103 3.28,1105 17.718,1106 -7.222,1107 10.753,1108 13.147,1110 22.054,1111 10.781,1112 2.408,1113 11.596,1114 19.603,1116 11.954,1117 14.652,1118 1.51,1119 24.537,1120 11.979,1121 2.199,1122 7.429,1123 21.497,1124 4.287,1125 13.103,1126 16.039,1128 26.957,1129 13.13,1130 1.474,1131 6.584,1132 23.4,1133 3.179,1134 14.291,1135 17.517,1136 1.599,1137 29.419,1138 14.317,1139 1.181,1140 4.084,1141 25.308,1142 2.848,1143 15.462,1144 18.939,1146 31.858,1147 15.49,1148 0.212,1149 3.209,1150 27.222,1151 2.068,1152 16.648,1153 20.405,1154 1.69,1155 34.313,1156 16.676,1157 -0.242,1158 0.458,1159 29.14,1160 1.509,1161 17.828,1162 21.844,1164 36.76,1165 17.858,1166 946,1167 1763,1168 8.671,1169 14.96,1170 21.808,1171 23.385,1172 23.497,1173 21.46,1174 21.508,1175 28.302,1176 2.117,1177 66.722,1178 21.645,1179 5.444,1180 5.906,1181 6.251,1182 5.282,1183 5.28,1184 7.287,1185 2.117,1186 18.817,1187 5.286,1188 7.36,1189 1.558,1190 1.67,1191 1.678,1192 1.533,1193 1.536,1194 2.022,1195 0.151,1196 4.766,1197 1.546,1198 4.031,1199 4.05,1200 3.998,1201 3.952,1202 7.499,1203 3.959,1204 3.481,1205 3.5,1206 3.427,1207 3.283,1208 7.352,1209 3.317,1210 3.307,1211 3.384,1212 3.135,1213 3.167,1214 4.708,1215 3.15,1216 2.869,1217 2.984,1218 2.601,1219 2.657,1220 4.013,1221 2.62,1222 2.679,1223 2.721,1224 2.574,1225 2.367,1226 3.883,1227 2.392,1228 2.567,1229 2.568,1230 2.467,1231 2.292,1232 3.529,1233 2.348,1234 2.116,1235 2.207,1236 1.875,1237 1.85,1238 2.988,1239 1.851,1240 1.813,1241 1.885,1242 1.566,1243 1.273,1244 2.694,1245 1.342,1246 0.33,1247 0.279,1248 0.496,1249 0.306,1250 0.234,1251 4.619,1252 0.306,1253 3.906,1254 0.076,1255 6.937,1256 0.828,1257 4.282,1258 0.235,1259 3.28,1260 4.287,1261 1.058,1262 11.596,1263 3.286,1264 1.929,1265 1.908,1266 2.033,1267 2.003,1268 1.197,1269 2.014,1270 1.425,1271 1.403,1272 1.666,1273 1.67,1274 0.753,1275 1.635,1276 1.233,1277 1.183,1278 1.372,1279 1.484,1280 0.417,1281 1.49,1282 0.959,1283 0.9,1284 1.351,1285 1.235,1286 0.237,1287 1.271,1288 0.915,1289 0.809,1290 1.12,1291 1.142,1292 0.195,1293 1.149,1294 0.213,1295 0.131,1296 0.607,1297 0.49,1299 0.519,1302 0.258,1303 0.344,1305 0.244,1309 0.22,1311 0.216,1312 3.367,1314 4.727,1315 2.398,1316 6.29,1317 4.844,1318 7.946,1319 7.034,1320 9.653,1322 3.702,1329 2.568,1340 14.558,1341 34.359,1342 72.598,1343 76.598,1344 80.598,1345 88.598,1346 88.598,1347 21.203,1348 5.598,1349 49.93,1350 49.93,1351 11,1352 12.014,1353 3.17,1354 2.585,1355 18.91,1356 24,1357 18,1358 0.454,1359 92.057,1360 161.32,1361 216.379,1362 1310,1364 9.585,1365 0.737,1366 0.575,1367 9.585,1368 7.471,1369 6.109,1370 0.436,1371 0.291,1372 4.024,1373 5.92,1374 3.836,1375 3.22,1376 6.109,1377 4.069,1378 5.845,1379 0.278,1380 0.154,1381 5.845,1382 3.233,1383 5.108,1384 0.176,1385 0.079,1386 5.108,1387 2.294,1388 4.055,1389 0.107,1390 0.041,1391 4.055,1392 1.549,1393 3.268,1394 0.074,1395 0.024,1396 3.268,1397 1.038,1398 0.627,1399 38.217,1400 0.34,1401 12.448,1402 1.533,1403 70,1404 229.804,1405 76.372,1406 221.393,1407 294.74,1408 204,1409 85,1410 210.526,1411 91.816,1412 214.926,1413 316.85,1414 201,1415 4}
{0 CHEMBL223256,1 1.371,2 13.387,3 5.714,4 32.644,5 120.169,6 7.195,7 0.364,8 4.157,9 4.253,10 3.658,11 3.689,12 5.337,13 3.666,14 4.662,15 4.814,16 4.034,17 4.074,18 5.77,19 4.033,20 4.948,21 5.099,22 4.184,23 4.233,24 6.167,25 4.186,26 5.115,27 5.317,28 4.158,29 4.244,30 6.379,31 4.164,32 5.087,33 5.324,34 4.005,35 4.196,36 6.126,37 4.094,38 4.965,39 5.172,40 4.028,41 4.118,42 6.182,43 4.048,44 4.917,45 5.094,46 3.904,47 4.065,48 6.183,49 3.987,50 4.939,51 5.193,52 3.805,53 3.961,54 6.073,55 3.858,56 0.104,57 0.732,58 12.701,59 6.128,60 23.034,61 7.36,62 0.116,63 1.184,64 22.121,65 10.043,66 26.167,67 12.752,68 0.372,69 1.499,70 30.668,71 12.573,72 71.942,73 15.746,74 0.954,75 1.674,76 39.096,77 14.189,78 145.51,79 18.663,80 0.628,81 1.632,82 38.585,83 13.982,84 103.834,85 18.835,86 0.633,87 1.45,88 33.548,89 12.275,90 108.064,91 16.061,92 0.594,93 1.376,94 31.522,95 11.509,96 113.034,97 14.462,98 0.548,99 1.37,100 33.962,101 11.748,102 105.236,103 16.076,104 72,105 47,106 0.224,107 0.568,108 0.742,109 0.826,110 0.871,111 0.876,112 3.472,113 0.932,114 -4.02,115 -3.97,116 -3.76,121 42.4,122 3,123 4,129 1,137 2,138 2,144 4,145 3,146 5,159 1,176 13,180 6,185 6,187 18,192 2,196 1,197 6,200 14,205 1,206 5,209 3,210 1,211 7,214 15,219 4,222 1,224 3,227 13,232 3,235 2,237 8,239 14,244 2,247 1,249 8,251 9,256 4,259 1,261 6,264 10,269 2,273 2,274 3,277 7,281 1669,282 20.068,283 20.068,284 20.068,285 20.068,286 20.068,287 17.589,288 26.865,289 11.61,290 20.272,291 16.218,292 16.218,293 16.218,294 16.218,295 16.218,296 12.613,297 33.397,298 5.509,299 16.623,300 4.512,301 2.401,302 1.335,303 0.823,304 0.547,305 0.513,306 4.147,312 1,313 863,314 4,318 279.143,322 147.918,325 2.529,326 49.58,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 68,338 415,339 4.616,340 3.762,341 6.906,342 4.255,343 3.277,344 4.33,345 1.277,346 11.5,347 3.204,348 4.264,349 3.247,350 6.253,351 3.898,352 2.928,353 3.897,354 1.151,355 9.391,356 2.837,357 3.961,358 3.206,359 6.051,360 3.63,361 2.659,362 3.326,363 0.68,364 8.498,365 2.591,366 3.75,367 2.928,368 5.786,369 3.4,370 2.421,371 3.006,372 0.68,373 7.662,374 2.375,375 3.671,376 2.82,377 5.241,378 3.336,379 2.347,380 2.961,381 0.68,382 6.287,383 2.293,384 3.618,385 2.637,386 5.035,387 3.174,388 2.175,389 2.862,391 6.071,392 2.172,393 3.399,394 2.515,395 4.803,396 3.011,397 2.055,398 2.677,400 5.134,401 1.952,402 3.085,403 2.278,404 4.642,405 2.694,406 1.706,407 2.199,409 4.876,410 1.665,411 2.821,412 1.767,413 4.368,414 2.372,415 1.414,416 1.95,418 3.918,419 1.347,420 2.59,421 1.713,422 4.035,423 2.303,424 1.356,425 1.597,427 3.502,428 1.271,429 2.243,430 1.538,431 3.695,432 2.136,433 1.147,434 1.213,436 2.586,437 1.132,438 1.907,439 1.394,440 3.231,441 1.798,442 0.822,443 0.862,445 1.868,446 0.798,447 1.399,448 0.892,449 3.098,450 1.091,451 0.154,452 0.182,454 0.361,455 0.142,456 1.308,457 0.554,458 2.811,459 0.981,460 0.025,461 0.029,463 0.061,464 0.024,465 1.209,466 0.502,467 2.609,468 0.863,469 -0.081,470 -0.098,472 -0.219,473 -0.075,474 14.5,475 0.468,476 1.004,477 0.032,478 36.25,479 1.169,480 18,481 0.581,482 18.25,483 0.589,484 30.63,485 0.988,486 34.7,487 0.588,488 30.372,489 0.98,490 7.053,491 0.228,492 7.614,493 0.246,494 0.218,496 0.414,501 0.921,502 1.024,503 0.879,504 1.01,505 0.917,506 0.948,507 0.68,508 1.105,509 0.745,510 1.083,511 0.567,512 0.952,513 0.999,514 1.259,515 1.016,516 1.242,517 0.926,518 1.151,519 0.856,520 1.031,521 0.953,522 1.032,523 0.86,524 1.016,525 0.898,526 0.888,527 0.883,528 0.886,529 0.928,530 0.882,531 0.974,532 0.95,533 0.902,534 0.941,535 1.022,536 0.912,537 1.333,538 1.168,539 1.266,540 1.17,541 1.398,542 1.198,543 0.893,544 0.899,545 0.816,546 0.887,547 0.916,548 0.844,549 7.5,550 0.165,551 4.222,552 2.625,553 2.333,554 1.437,555 0.851,556 0.675,557 0.39,558 0.334,559 12541,560 33698,561 1.957,562 47.5,563 15,564 7,567 4,568 2,572 1.735,573 1.771,574 3.643,575 1.536,582 80.864,583 1.371,584 3.481,585 4.547,586 5.06,587 5.336,588 5.37,589 3.272,590 4.761,591 4.913,592 3.864,593 1796.85,594 8.582,595 25916.8,600 347.076,601 1.565,602 4.847,603 0.227,604 0.007,605 0.09,606 0.051,607 0.05,608 0.034,609 0.02,610 0.019,611 0.012,612 0.012,613 0.521,614 0.17,615 1,616 1.783,617 162.583,618 -0.112,619 0.12,620 -0.015,621 0.117,622 -0.14,623 0.079,624 0.018,625 -0.019,626 0.14,627 0.001,628 0.04,629 0.081,630 -0.015,631 -0.207,632 -0.078,633 -0.202,634 -0.019,635 -0.161,636 0.203,637 -0.045,638 0.038,639 -0.051,640 0.155,641 -0.043,642 0.003,643 0.078,644 0.102,645 0.087,646 -0.037,647 0.11,648 0.051,649 0.037,650 0.087,651 0.043,652 0.051,653 0.068,654 -0.143,655 -0.165,656 -0.271,657 -0.182,658 -0.129,659 -0.242,660 0.05,661 0.041,662 0.191,663 0.062,664 0.079,665 0.141,666 2.034,667 5.793,668 0.516,669 39.888,670 1.006,671 1.12,672 2.79,673 7.784,674 0.651,675 3.526,676 3.871,677 4.111,678 4.357,679 4.605,680 4.771,681 4.844,682 5.011,683 5.147,684 5.209,685 7.648,686 0.621,687 424.53,688 3.526,689 5.081,690 5.927,691 6.812,692 7.682,693 8.577,694 9.459,695 10.361,696 11.251,697 12.158,715 4,720 8,722 12,727 1,738 4,739 1,741 59,743 15,744 2,745 33,747 61,748 25,749 12,750 8,751 4,752 1,756 3,757 4,763 3,767 2,770 5,772 17,773 8,777 3,782 1,784 2,786 3,793 28,794 6,795 4,796 6,808 0.667,809 6,829 3,833 1,849 2,850 2,859 2,864 3,868 31,875 4,876 4,878 1,880 1,893 10.2,895 4,896 1,898 1,901 17.5,902 11.217,903 6.778,904 3.45,907 2.774,908 1.364,909 0.892,910 7.212,911 10.401,912 3.761,913 4.369,914 4.86,915 5.371,916 5.893,917 6.179,918 6.407,919 6.777,920 7.167,921 7.482,922 1,923 51,924 11.608,926 5.076,927 0.026,929 8.022,931 21.562,933 17.656,936 2.522,937 78.167,941 282.506,942 119.776,945 206.878,948 119.776,949 489.385,951 26.476,952 10.138,953 56.857,954 201.012,955 32.171,957 282.506,959 282.506,960 119.776,961 206.878,964 282.506,965 206.878,968 36.614,969 64.21,970 18.952,972 282.506,973 206.878,974 119.776,977 282.506,978 36.443,979 83.333,981 206.878,982 282.506,983 206.878,984 119.776,986 0.591,987 0.334,988 0.167,989 0.092,990 21,991 12,992 0.098,993 6,994 1,995 1.125,996 4.093,997 271.999,998 0.125,999 16,1000 151.58,1005 23.074,1006 9.689,1007 5.366,1009 206.878,1010 5.545,1015 -0.042,1017 170.733,1018 609.161,1019 42,1024 12.793,1026 4.099,1028 2.072,1031 59.334,1032 66.069,1034 0.233,1035 0.592,1036 0.773,1037 0.86,1038 0.907,1039 0.913,1040 5.024,1041 1.706,1042 5.943,1043 5.134,1044 4.554,1045 5.056,1046 2.271,1047 6.772,1048 4.503,1049 6.257,1050 1.414,1051 7.525,1052 4.876,1053 4.29,1054 5.017,1056 7.727,1057 4.205,1058 7.584,1059 1.356,1060 9.204,1061 3.918,1062 6.172,1063 7.236,1064 2.409,1065 10.831,1066 6.077,1067 8.94,1068 1.147,1069 10.94,1070 3.502,1071 6.661,1072 7.941,1074 12.595,1075 6.527,1076 10.323,1077 0.822,1078 12.712,1079 2.586,1080 8.074,1081 9.703,1082 2.704,1083 15.256,1084 7.932,1085 11.725,1086 0.154,1087 14.509,1088 1.868,1089 8.912,1090 10.765,1092 17.381,1093 8.734,1094 13.143,1095 0.025,1096 16.326,1097 0.361,1098 10.152,1099 12.347,1100 3.073,1101 19.887,1102 9.961,1103 3.277,1104 -0.081,1105 18.159,1106 0.061,1107 11.159,1108 13.593,1110 22.178,1111 10.935,1112 2.928,1113 11.5,1114 20.005,1115 -0.219,1116 12.337,1117 15.098,1118 3.479,1119 24.63,1120 12.096,1121 2.659,1122 9.391,1123 21.862,1124 4.33,1125 13.425,1126 16.441,1128 26.998,1129 13.156,1130 2.421,1131 8.498,1132 23.728,1133 3.897,1134 14.585,1135 17.912,1136 3.905,1137 29.434,1138 14.298,1139 2.347,1140 7.662,1141 25.602,1142 3.326,1143 15.714,1144 19.307,1146 31.838,1147 15.401,1148 2.175,1149 6.287,1150 27.482,1151 3.006,1152 16.873,1153 20.765,1154 4.344,1155 34.271,1156 16.54,1157 2.055,1158 6.071,1159 29.369,1160 2.961,1161 18.022,1162 22.187,1164 36.693,1165 17.666,1166 12528,1167 20839,1168 20.808,1169 38.387,1170 49.627,1171 51.068,1172 52.227,1173 49.008,1174 48.972,1175 62.18,1176 8.937,1177 143.433,1178 47.606,1179 5.562,1180 5.762,1181 6.467,1182 5.353,1183 5.277,1184 7.33,1185 2.555,1186 19.042,1187 5.204,1188 21.093,1189 1.504,1190 1.548,1191 1.583,1192 1.485,1193 1.484,1194 1.884,1195 0.271,1196 4.346,1197 1.443,1198 4.047,1199 4.055,1200 4.009,1201 3.958,1202 7.427,1203 3.967,1204 3.888,1205 3.905,1206 3.841,1207 3.817,1208 6.531,1209 3.82,1210 3.803,1211 3.844,1212 3.692,1213 3.715,1214 6.488,1215 3.705,1216 3.629,1217 3.676,1218 3.517,1219 3.529,1220 6.445,1221 3.519,1222 3.481,1223 3.511,1224 3.385,1225 3.337,1226 6.402,1227 3.343,1228 3.177,1229 3.259,1230 3.058,1231 3.024,1232 4.74,1233 3.002,1234 3.107,1235 3.125,1236 2.977,1237 2.894,1238 4.496,1239 2.928,1240 3.027,1241 3.093,1242 2.831,1243 2.853,1244 4.442,1245 2.83,1246 0.14,1247 0.114,1248 0.209,1249 0.129,1250 0.099,1251 4.616,1252 0.131,1253 3.762,1254 0.039,1255 6.906,1256 0.348,1257 4.255,1258 0.097,1259 3.277,1260 4.33,1261 1.277,1262 11.5,1263 3.204,1264 1.975,1265 1.967,1266 2.064,1267 2.085,1268 1.297,1269 2.073,1270 1.874,1271 1.855,1272 2.018,1273 1.974,1274 1.243,1275 1.987,1276 1.801,1277 1.763,1278 1.941,1279 1.92,1280 1.118,1281 1.93,1282 1.64,1283 1.595,1284 1.845,1285 1.781,1286 0.974,1287 1.807,1288 1.445,1289 1.413,1290 1.648,1291 1.629,1292 0.857,1293 1.632,1294 1.208,1295 1.13,1296 1.547,1297 1.42,1298 0.713,1299 1.468,1300 1.06,1301 0.982,1302 1.417,1303 1.295,1304 0.567,1305 1.337,1306 0.98,1307 0.967,1308 1.409,1309 1.242,1310 0.469,1311 1.308,1312 4.205,1314 5.541,1316 7.066,1318 8.689,1320 10.37,1322 6.101,1327 40.389,1328 2.064,1330 5.846,1332 -0.701,1340 36.664,1341 80.864,1342 205.388,1343 268.282,1344 298.547,1345 314.811,1346 316.811,1347 103.42,1348 7.628,1349 107.22,1350 107.22,1351 18,1352 12.679,1353 4,1354 3.322,1355 58.447,1356 141,1357 160,1358 0.206,1359 226.03,1360 411.16,1361 543.272,1362 20617,1364 22.706,1365 0.732,1366 0.58,1367 22.706,1368 17.975,1369 14.668,1370 0.444,1371 0.311,1372 10.15,1373 14.217,1374 9.778,1375 8.153,1376 14.668,1377 10.255,1378 13.817,1379 0.294,1380 0.173,1381 13.817,1382 8.153,1383 10.946,1384 0.182,1385 0.09,1386 10.946,1387 5.382,1388 8.844,1389 0.115,1390 0.047,1391 8.844,1392 3.595,1393 6.772,1394 0.068,1395 0.024,1396 6.772,1397 2.416,1398 0.328,1399 91.709,1400 0.219,1401 29.426,1402 0.554,1403 160,1404 486.07,1405 174.726,1406 466.323,1407 617.58,1408 430,1409 187,1410 439.121,1411 202.06,1412 445.23,1413 649.27,1414 417,1415 5.11}
{0 CHEMBL223443,1 1.435,2 16.972,3 7.206,4 51.922,5 148.551,6 7.086,7 0.525,8 4.335,9 4.466,10 3.863,11 3.924,12 5.3,13 3.869,14 4.91,15 5.096,16 4.217,17 4.349,18 5.825,19 4.255,20 5.222,21 5.471,22 4.267,23 4.476,24 6.064,25 4.35,26 5.216,27 5.468,28 4.213,29 4.431,30 6.076,31 4.299,32 5.196,33 5.453,34 4.123,35 4.393,36 6.047,37 4.247,38 5.193,39 5.455,40 4.066,41 4.375,42 6.005,43 4.206,44 5.188,45 5.466,46 3.946,47 4.326,48 5.944,49 4.128,50 5.091,51 5.375,52 3.781,53 4.219,54 5.814,55 4.007,56 0.067,57 1.013,58 15.717,59 6.75,60 7.984,61 9.436,62 0.197,63 1.691,64 29.903,65 12.056,66 21.748,67 17.089,68 0.339,69 2.129,70 45.233,71 16.032,72 41.227,73 22.955,74 0.421,75 2.126,76 44.611,77 15.277,78 46.299,79 22.161,80 0.43,81 2.043,82 42.94,83 15.343,84 47.336,85 22.012,86 0.374,87 1.97,88 43.938,89 15.93,90 45.975,91 22.68,92 0.37,93 1.884,94 46.843,95 16.334,96 44.958,97 23.063,98 0.391,99 1.678,100 45.15,101 15.125,102 41.854,103 21.242,104 5,105 54,106 0.223,107 0.544,108 0.72,109 0.839,110 0.881,111 0.894,112 3.615,113 1.03,114 -5.26,115 -5.15,116 -4.81,121 42.3,123 10,127 2,144 7,145 4,146 2,148 2,153 1,154 1,160 1,176 16,180 5,183 1,185 8,187 19,192 4,197 8,200 13,206 5,209 1,211 8,214 14,219 2,222 1,223 1,224 4,227 13,232 4,237 5,239 17,244 3,249 2,251 16,256 2,260 1,261 1,264 17,269 1,274 1,277 14,281 2512,282 24.966,283 24.966,284 24.966,285 24.966,286 24.966,287 22.342,288 22.218,289 15.286,290 25.304,291 19.834,292 19.834,293 19.834,294 19.834,295 19.834,296 15.75,297 22.777,298 7.355,299 20.416,300 4.715,301 2.649,302 1.517,303 0.754,304 0.479,305 0.394,306 4.327,308 1,312 1,313 1360,314 4.183,317 93.054,318 391.141,321 172.376,322 317.765,325 2.369,326 24.293,329 0.75,330 0.67,331 0.67,332 0.7,333 0.5,334 0.67,335 0.5,336 0.64,337 75.333,338 611,339 4.651,340 3.625,341 6.833,342 4.214,343 3.235,344 4.582,345 1.987,346 11.364,347 3.165,348 4.529,349 3.373,350 6.533,351 4.06,352 3.072,353 4.475,354 0.4,355 10.3,356 3.034,357 3.99,358 3.076,359 6.004,360 3.58,361 2.61,362 3.534,363 0.324,364 8.477,365 2.532,366 3.695,367 2.943,368 5.427,369 3.386,370 2.383,371 2.961,373 6.886,374 2.378,375 3.584,376 2.562,377 5.29,378 3.193,379 2.252,380 2.953,382 6.653,383 2.103,384 3.365,385 2.272,386 4.899,387 2.912,388 1.986,389 2.699,391 5.573,392 1.894,393 3.29,394 2.127,395 4.821,396 2.878,397 1.914,398 2.561,400 5.263,401 1.816,402 3.045,403 1.931,404 4.153,405 2.816,406 1.821,407 2.318,409 3.812,410 1.703,411 2.89,412 1.756,413 4.121,414 2.531,415 1.548,416 1.898,418 3.711,419 1.519,420 2.69,421 1.546,422 3.979,423 2.517,424 1.543,425 1.736,427 3.418,428 1.5,429 2.63,430 1.517,431 3.829,432 2.424,433 1.432,434 1.685,436 3.291,437 1.414,438 2.544,439 1.434,440 3.618,441 2.249,442 1.257,443 1.543,445 3.033,446 1.246,447 2.487,448 1.346,449 3.582,450 2.167,451 1.186,452 1.486,454 2.755,455 1.161,456 2.202,457 1.239,458 3.492,459 2.096,460 1.114,461 1.186,463 2.535,464 1.089,465 2.082,466 1.044,467 3.2,468 1.802,469 0.827,470 0.93,472 1.865,473 0.798,474 17.648,475 0.49,476 0.657,477 0.018,478 42.5,479 1.181,480 20,481 0.556,482 22.5,483 0.625,484 37.056,485 1.029,486 38.752,487 0.546,488 29.041,489 0.807,490 7.572,491 0.21,492 10.115,493 0.281,494 0.059,496 0.283,501 0.759,502 1.212,503 0.75,504 0.989,505 0.559,506 0.958,507 0.688,508 1.231,509 0.821,510 1.071,511 0.539,512 1.056,513 1.012,514 1.043,515 0.888,516 0.932,517 0.953,518 0.924,519 1.031,520 1.054,521 0.897,522 0.98,523 0.936,524 0.991,525 1.052,526 0.985,527 0.865,528 0.957,529 1.133,530 1,531 0.993,532 1.024,533 0.902,534 1.027,535 1.136,536 1.054,537 1.081,538 0.956,539 1.085,540 1.023,541 1.151,542 1.041,543 1.097,544 0.853,545 1.28,546 1.036,547 1.076,548 1.04,549 5,550 0.102,551 3.333,552 2.292,553 1.688,554 0.882,555 0.56,556 0.32,557 0.207,558 0.147,559 26227,560 59463,561 2.154,562 49.3,563 12,564 11,565 1,567 3,568 4,569 4,572 1.764,573 2.077,574 3.931,575 0.718,582 101.9,583 1.435,584 3.5,585 4.633,586 5.396,587 5.671,588 5.755,589 3.253,590 4.892,591 5.149,592 4.205,593 2649.15,594 8.983,595 48312.8,600 436.632,601 1.135,602 5.128,603 0.125,604 0.004,605 0.062,606 0.042,607 0.034,608 0.02,609 0.014,610 0.009,611 0.007,612 0.005,613 0.322,614 0.17,615 0.63,616 0.375,617 204.671,618 -0.036,619 -0.011,620 0.031,621 0.038,622 0.016,623 0.049,624 0.064,625 -0.12,626 0.001,627 -0.067,628 0.089,629 -0.059,630 -0.045,631 -0.028,632 0.037,633 0.041,634 -0.017,635 0.055,636 -0.007,637 -0.017,638 -0.01,639 -0.034,640 0.009,641 -0.032,642 -0.005,643 0.027,644 -0.018,645 -0.01,646 -0.015,647 -0.039,648 -0.02,649 -0.056,650 -0.013,651 -0.056,652 -0.028,653 -0.073,654 -0.081,655 -0.031,656 -0.05,657 -0.032,658 -0.08,659 -0.049,660 -0.086,661 0.056,662 -0.114,663 -0.026,664 -0.107,665 -0.039,666 1.571,667 5.332,668 0.639,669 42.778,670 0.989,671 1.124,672 4.029,673 16.235,674 0.669,675 3.714,676 4.007,677 4.29,678 4.585,679 4.82,680 4.89,681 4.997,682 5.081,683 5.063,684 4.942,685 10.151,686 0.621,687 503.14,688 3.714,689 5.242,690 6.089,691 6.961,692 7.831,693 8.715,694 9.596,695 10.486,696 11.373,697 12.268,698 5.6,703 1,705 1,706 1,708 1,714 4,715 8,716 1,717 1,720 5,722 21,734 1,740 1,741 71,743 22,744 2,745 40,747 75,748 30,749 17,750 5,751 7,756 5,757 9,758 1,767 4,770 10,772 18,773 12,777 1,782 1,786 1,793 35,794 4,795 3,796 6,797 1,802 4,808 0.4,809 1,822 1,824 1,828 1,829 4,832 1,833 2,843 1,859 2,865 1,868 36,876 12,877 2,892 1,893 1.4,896 1,901 17.333,902 12.426,903 8,904 4.851,907 4.104,908 1.49,909 1.015,910 8.452,911 12.471,912 3.961,913 4.562,914 5.182,915 5.822,916 6.383,917 6.716,918 7.083,919 7.42,920 7.529,921 7.414,922 0.909,923 55,924 13.383,926 5.674,927 0.026,929 7.508,931 26.547,933 22.483,936 2.008,937 72.278,941 376.675,942 134.462,943 69.593,944 39.149,945 25.145,948 134.462,949 440.969,950 69.593,952 47.567,953 75.381,954 64.646,955 39.461,956 13.915,957 364.904,958 39.149,959 376.675,960 204.055,961 25.145,962 39.149,964 329.591,965 72.229,968 69.254,969 100.004,970 73.945,972 376.675,973 94.737,974 173.611,977 376.675,978 59.081,979 75.381,980 52.807,981 81.079,982 376.675,983 94.737,984 173.611,986 0.567,987 0.328,988 0.188,989 0.106,990 25,991 10,992 0.147,993 11,994 3,995 1.261,996 4.971,997 325.295,998 0.261,999 23,1000 184.117,1005 25.106,1006 12.119,1007 6.241,1008 4.391,1009 77.952,1010 16.105,1011 4.914,1012 3.237,1015 5.71,1017 52.807,1018 645.023,1019 51.5,1024 12.332,1028 0.096,1031 70.196,1032 79.79,1034 0.233,1035 0.569,1036 0.753,1037 0.877,1038 0.922,1039 0.936,1040 5.183,1041 1.821,1042 6.043,1043 5.263,1044 4.691,1045 5.25,1046 2.115,1047 6.836,1048 4.637,1049 6.37,1050 1.548,1051 7.579,1052 3.812,1053 4.111,1054 5.085,1055 1.593,1056 7.711,1057 4.016,1058 7.672,1059 1.543,1060 9.224,1061 3.711,1062 6.248,1063 7.509,1064 3.102,1065 10.866,1066 6.152,1067 9.019,1068 1.432,1069 10.938,1070 3.418,1071 6.567,1072 8.26,1073 3.168,1074 12.655,1075 6.444,1076 10.406,1077 1.257,1078 12.699,1079 3.291,1080 8.115,1081 10.135,1082 4.312,1083 15.311,1084 7.986,1085 11.822,1086 1.186,1087 14.494,1088 3.033,1089 8.878,1090 11.305,1091 4.654,1092 17.463,1093 8.729,1094 13.26,1095 1.114,1096 16.312,1097 2.755,1098 10.181,1099 12.963,1100 5.601,1101 19.954,1102 10.021,1103 3.235,1104 0.827,1105 18.148,1106 2.535,1107 11.158,1108 14.323,1109 6.091,1110 22.253,1111 10.979,1112 3.072,1113 11.364,1114 19.998,1115 1.865,1116 12.363,1117 15.893,1118 6.927,1119 24.688,1120 12.17,1121 2.61,1122 10.3,1123 21.859,1124 4.582,1125 13.438,1126 17.338,1127 7.5,1128 27.049,1129 13.226,1130 2.383,1131 8.477,1132 23.727,1133 4.475,1134 14.607,1135 18.873,1136 8.273,1137 29.467,1138 14.378,1139 2.252,1140 6.886,1141 25.603,1142 3.534,1143 15.726,1144 20.355,1145 8.894,1146 31.855,1147 15.478,1148 1.986,1149 6.653,1150 27.484,1151 2.961,1152 16.884,1153 21.875,1154 9.631,1155 34.269,1156 16.617,1157 1.914,1158 5.573,1159 29.369,1160 2.953,1161 18.023,1162 23.374,1163 10.279,1164 36.671,1165 17.737,1166 23981,1167 36299,1168 27.622,1169 47.518,1170 58.626,1171 60.089,1172 59.861,1173 58.753,1174 58.597,1175 75.894,1176 5.422,1177 162.927,1178 56.849,1179 5.621,1180 5.625,1181 6.742,1182 5.255,1183 5.235,1184 7.582,1185 3.497,1186 18.902,1187 5.165,1188 11.971,1189 1.466,1190 1.502,1191 1.497,1192 1.469,1193 1.465,1194 1.897,1195 0.136,1196 4.073,1197 1.421,1198 4.141,1199 4.174,1200 4.132,1201 4.063,1202 7.429,1203 4.067,1204 4.099,1205 4.129,1206 4.076,1207 4.026,1208 5.04,1209 4.031,1210 3.785,1211 3.85,1212 3.778,1213 3.666,1214 4.964,1215 3.651,1216 3.736,1217 3.78,1218 3.635,1219 3.644,1220 4.685,1221 3.628,1222 3.63,1223 3.694,1224 3.513,1225 3.454,1226 4.308,1227 3.459,1228 3.488,1229 3.546,1230 3.412,1231 3.353,1232 4.272,1233 3.342,1234 3.354,1235 3.424,1236 3.317,1237 3.194,1238 4.19,1239 3.19,1240 3.261,1241 3.317,1242 3.212,1243 3.098,1244 4.144,1245 3.106,1246 0.116,1247 0.091,1248 0.171,1249 0.105,1250 0.081,1251 4.651,1252 0.115,1253 3.625,1254 0.05,1255 6.833,1256 0.284,1257 4.214,1258 0.079,1259 3.235,1260 4.582,1261 1.987,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.149,1267 2.158,1268 1.437,1269 2.159,1270 1.939,1271 1.916,1272 2.04,1273 2.019,1274 1.386,1275 2.026,1276 1.785,1277 1.723,1278 2.027,1279 1.957,1280 1.194,1281 1.983,1282 1.75,1283 1.709,1284 1.926,1285 1.864,1286 1.167,1287 1.892,1288 1.647,1289 1.597,1290 1.85,1291 1.849,1292 1.122,1293 1.851,1294 1.541,1295 1.472,1296 1.761,1297 1.737,1298 0.928,1299 1.754,1300 1.324,1301 1.26,1302 1.568,1303 1.571,1304 0.808,1305 1.572,1306 1.225,1307 1.17,1308 1.457,1309 1.43,1310 0.75,1311 1.442,1312 4.394,1314 5.694,1315 2.398,1316 7.192,1317 4.727,1318 8.796,1319 6.823,1320 10.463,1323 6.237,1328 12.435,1329 6.822,1340 44.057,1341 101.9,1342 248.535,1343 328.923,1344 383.122,1345 402.632,1346 408.632,1347 60.405,1348 8.367,1349 69.81,1350 69.81,1351 29,1352 12.795,1353 4.524,1354 3.644,1355 55.228,1356 229,1357 186,1358 0.113,1359 271.806,1360 463.76,1361 654.967,1362 73153,1363 1.4,1364 24.744,1365 0.687,1366 0.6,1367 25.244,1368 21.593,1369 17.687,1370 0.442,1371 0.343,1372 13.297,1373 17.04,1374 13.012,1375 10.766,1376 17.975,1377 13.732,1378 15.389,1379 0.285,1380 0.191,1381 15.797,1382 10.298,1383 12.898,1384 0.179,1385 0.104,1386 13.16,1387 7.464,1388 11.126,1389 0.115,1390 0.057,1391 11.36,1392 5.502,1393 9.171,1394 0.075,1395 0.032,1396 9.402,1397 3.98,1398 0.191,1399 111.643,1400 0.19,1401 34.325,1402 0.279,1403 188,1404 438.583,1405 212.95,1406 465.544,1407 640.79,1408 438,1409 220,1410 456.668,1411 239.246,1412 475.293,1413 697.7,1414 452,1415 9.81}
{0 CHEMBL223714,1 1.435,2 17,3 7.627,4 58.173,5 148.602,6 7.086,7 0.525,8 4.335,9 4.466,10 3.863,11 3.924,12 5.3,13 3.869,14 4.91,15 5.096,16 4.217,17 4.349,18 5.828,19 4.255,20 5.224,21 5.476,22 4.283,23 4.475,24 6.065,25 4.35,26 5.216,27 5.466,28 4.236,29 4.422,30 6.123,31 4.297,32 5.186,33 5.44,34 4.098,35 4.39,36 6.021,37 4.244,38 5.197,39 5.459,40 4.045,41 4.384,42 5.976,43 4.209,44 5.198,45 5.48,46 3.919,47 4.343,48 5.901,49 4.133,50 5.104,51 5.392,52 3.78,53 4.228,54 5.802,55 4.012,56 0.067,57 1.013,58 15.717,59 6.75,60 8.005,61 9.436,62 0.197,63 1.691,64 29.903,65 12.056,66 22.459,67 17.089,68 0.306,69 2.131,70 45.295,71 16.192,72 38.469,73 23.244,74 0.513,75 2.12,76 44.804,77 15.132,78 54.719,79 21.854,80 0.37,81 2.025,82 42.4,83 15.089,84 45.71,85 21.646,86 0.375,87 1.982,88 44.016,89 16.074,90 43.241,91 22.928,92 0.347,93 1.902,94 47.145,95 16.832,96 39.689,97 23.833,98 0.349,99 1.697,100 45.638,101 15.409,102 38.626,103 21.754,104 5,105 54,106 0.223,107 0.539,108 0.694,109 0.82,110 0.868,111 0.881,112 3.615,113 1.033,114 -5.53,115 -5.4,116 -5.04,121 42.3,123 10,127 2,144 7,145 4,146 2,148 2,153 1,154 1,160 1,176 16,180 5,183 1,185 8,187 19,192 4,197 7,200 13,206 5,209 2,210 1,211 8,214 13,219 3,224 5,227 13,232 3,237 5,239 17,244 2,249 3,251 17,256 2,261 1,264 17,269 2,273 1,274 1,277 16,281 2506,282 25.018,283 25.018,284 25.018,285 25.018,286 25.018,287 22.457,288 19.322,289 15.323,290 25.36,291 19.818,292 19.818,293 19.818,294 19.818,295 19.818,296 15.805,297 18.741,298 7.349,299 20.401,300 4.715,301 2.682,302 1.685,303 0.873,304 0.563,305 0.479,306 4.327,308 1,313 1362,314 4.183,317 92.816,318 391.131,321 171.962,322 318.062,325 2.333,326 24.245,329 0.5,330 0.67,331 0.67,332 0.7,333 0.5,334 0.67,335 0.5,336 0.6,337 75.333,338 612,339 4.651,340 3.596,341 6.833,342 4.214,343 3.235,344 4.582,345 1.058,346 11.364,347 3.165,348 4.577,349 3.373,350 6.679,351 4.126,352 3.134,353 4.511,354 0.4,355 10.751,356 3.107,357 3.99,358 2.943,359 6.004,360 3.58,361 2.61,362 3.534,364 8.477,365 2.532,366 3.766,367 2.884,368 5.623,369 3.378,370 2.382,371 3.14,373 7.241,374 2.363,375 3.584,376 2.562,377 5.427,378 3.193,379 2.252,380 2.961,382 6.886,383 2.104,384 3.365,385 2.272,386 4.899,387 2.911,388 1.987,389 2.699,391 5.573,392 1.895,393 3.049,394 1.943,395 4.498,396 2.87,397 1.899,398 2.32,400 4.306,401 1.705,402 3.014,403 1.797,404 4.121,405 2.667,406 1.687,407 2.17,409 3.835,410 1.651,411 2.899,412 1.752,413 4.023,414 2.522,415 1.547,416 1.911,418 3.573,419 1.507,420 2.71,421 1.564,422 3.975,423 2.486,424 1.499,425 1.752,427 3.408,428 1.474,429 2.61,430 1.545,431 3.837,432 2.426,433 1.432,434 1.632,436 3.295,437 1.416,438 2.523,439 1.434,440 3.634,441 2.251,442 1.26,443 1.515,445 3.06,446 1.247,447 2.488,448 1.395,449 3.574,450 2.226,451 1.241,452 1.486,454 2.747,455 1.218,456 2.284,457 1.143,458 3.512,459 2.025,460 1.049,461 1.26,463 2.495,464 1.019,465 2.031,466 1.112,467 3.236,468 1.87,469 0.888,470 0.984,472 2.011,473 0.865,474 17.648,475 0.49,476 0.64,477 0.018,478 42.5,479 1.181,480 20,481 0.556,482 22.5,483 0.625,484 37.107,485 1.031,486 38.752,487 0.546,488 29.007,489 0.806,490 7.48,491 0.208,492 10.223,493 0.284,494 0.059,496 0.283,501 0.759,502 1.212,503 0.75,504 0.989,505 0.559,506 0.958,507 0.688,508 1.231,509 0.821,510 1.071,511 0.525,512 1.056,513 0.884,514 1.063,515 0.837,516 0.935,517 0.763,518 0.903,519 1.084,520 1.02,521 0.891,522 0.959,523 1.125,524 0.971,525 1.181,526 1.007,527 0.902,528 0.964,529 1.203,530 1.015,531 0.95,532 1.011,533 0.921,534 1.033,535 1.054,536 1.073,537 0.912,538 0.949,539 1.071,540 1.036,541 0.921,542 1.057,543 1.005,544 0.9,545 1.248,546 1.049,547 0.922,548 1.039,549 4.5,550 0.119,551 3.556,552 2.319,553 1.858,554 0.719,555 0.578,556 0.293,557 0.207,558 0.147,559 26291,560 59875,561 2.154,562 49.3,563 14,564 11,565 1,567 3,568 2,569 4,572 1.763,573 2.077,574 3.932,575 0.718,582 101.9,583 1.435,584 3.467,585 4.465,586 5.277,587 5.586,588 5.671,589 3.239,590 4.892,591 5.15,592 4.203,593 2647.77,594 8.982,595 48437.6,600 436.632,601 1.135,602 5.128,603 0.112,604 0.005,605 0.066,606 0.041,607 0.036,608 0.016,609 0.015,610 0.009,611 0.007,612 0.005,613 0.313,614 0.17,615 0.5,616 0.375,617 204.782,618 -0.036,619 -0.011,620 0.031,621 0.038,622 0.016,623 0.049,624 0.064,625 -0.12,626 0.001,627 -0.067,628 0.104,629 -0.059,630 0.016,631 -0.056,632 0.084,633 0.04,634 0.064,635 0.08,636 0.07,637 0.018,638 0.005,639 -0.018,640 0.039,641 -0.02,642 -0.129,643 0.009,644 -0.056,645 -0.016,646 -0.078,647 -0.054,648 -0.036,649 -0.04,650 -0.037,651 -0.059,652 -0.058,653 -0.089,654 -0.06,655 -0.032,656 -0.049,657 -0.037,658 -0.079,659 -0.054,660 -0.08,661 0.001,662 -0.092,663 -0.036,664 -0.083,665 -0.032,666 1.661,667 5.483,668 0.639,669 42.722,670 0.989,671 1.124,672 4.297,673 18.466,674 0.669,675 3.714,676 4.007,677 4.304,678 4.595,679 4.828,680 4.898,681 4.99,682 5.081,683 5.056,684 4.942,685 10.187,686 0.621,687 503.14,688 3.714,689 5.242,690 6.094,691 6.967,692 7.841,693 8.727,694 9.612,695 10.504,696 11.395,697 12.292,698 5.6,703 1,705 1,706 1,708 1,714 4,715 8,716 1,717 1,720 5,722 21,729 1,734 1,740 1,741 71,743 22,744 2,745 40,747 75,748 30,749 17,750 5,751 7,752 1,756 5,757 9,758 1,767 4,770 10,772 18,773 12,777 1,782 1,786 1,793 35,794 4,795 3,796 6,797 1,802 4,808 0.4,809 1,822 1,824 1,828 1,829 4,832 1,833 2,859 2,865 1,868 36,876 12,877 2,892 1,893 1.4,896 1,901 17.333,902 12.426,903 8.028,904 4.913,907 4.104,908 1.49,909 1.015,910 8.452,911 12.471,912 3.961,913 4.562,914 5.205,915 5.844,916 6.405,917 6.745,918 7.092,919 7.438,920 7.535,921 7.445,922 0.909,923 56,924 13.384,926 5.681,927 0.026,929 7.508,931 26.547,933 22.485,936 2.008,937 72.278,941 376.675,942 134.462,943 69.593,944 39.149,945 25.145,948 134.462,949 440.969,950 69.593,952 47.567,953 75.381,954 64.646,955 39.461,956 13.915,957 364.904,958 39.149,959 376.675,960 204.055,961 25.145,962 39.149,964 329.591,965 72.229,968 69.254,969 100.004,970 73.945,972 376.675,973 94.737,974 173.611,977 376.675,978 59.081,979 75.381,980 52.807,981 81.079,982 376.675,983 94.737,984 173.611,986 0.567,987 0.333,988 0.191,989 0.107,990 25,991 10,992 0.147,993 11,994 3,995 1.261,996 4.965,997 325.659,998 0.261,999 23,1000 184.117,1005 25.106,1006 12.119,1007 6.065,1008 4.17,1009 77.952,1010 15.774,1011 4.917,1012 3.166,1015 5.4,1017 52.807,1018 645.023,1019 51.5,1024 12.483,1028 0.006,1031 70.196,1032 79.79,1034 0.233,1035 0.564,1036 0.726,1037 0.858,1038 0.908,1039 0.922,1040 5.183,1041 1.687,1042 6.047,1043 4.306,1044 4.691,1045 5.25,1046 1.27,1047 6.851,1048 4.637,1049 6.37,1050 1.547,1051 7.591,1052 3.835,1053 4.111,1054 5.085,1056 7.758,1057 4.016,1058 7.674,1059 1.499,1060 9.246,1061 3.573,1062 6.256,1063 7.518,1064 1.27,1065 10.921,1066 6.162,1067 9.025,1068 1.432,1069 10.972,1070 3.408,1071 6.594,1072 8.282,1074 12.74,1075 6.478,1076 10.417,1077 1.26,1078 12.746,1079 3.295,1080 8.141,1081 10.156,1082 1.34,1083 15.402,1084 8.018,1085 11.84,1086 1.241,1087 14.553,1088 3.06,1089 8.925,1090 11.336,1092 17.571,1093 8.788,1094 13.286,1095 1.049,1096 16.382,1097 2.747,1098 10.229,1099 12.993,1100 1.423,1101 20.07,1102 10.081,1103 3.235,1104 0.888,1105 18.229,1106 2.495,1107 11.222,1108 14.36,1110 22.38,1111 11.06,1112 3.134,1113 11.364,1114 20.088,1115 2.011,1116 12.43,1117 15.931,1118 1.51,1119 24.822,1120 12.255,1121 2.61,1122 10.751,1123 21.957,1124 4.582,1125 13.516,1126 17.38,1128 27.189,1129 13.327,1130 2.382,1131 8.477,1132 23.834,1133 4.511,1134 14.689,1135 18.916,1136 1.599,1137 29.612,1138 14.485,1139 2.252,1140 7.241,1141 25.716,1142 3.534,1143 15.816,1144 20.402,1146 32.005,1147 15.596,1148 1.987,1149 6.886,1150 27.603,1151 3.14,1152 16.979,1153 21.924,1154 1.69,1155 34.421,1156 16.743,1157 1.899,1158 5.573,1159 29.494,1160 2.961,1161 18.124,1162 23.426,1164 36.825,1165 17.871,1166 24044,1167 36491,1168 27.622,1169 47.518,1170 58.849,1171 60.304,1172 60.081,1173 58.88,1174 58.669,1175 75.944,1176 2.917,1177 163.588,1178 56.914,1179 5.622,1180 5.596,1181 6.757,1182 5.255,1183 5.235,1184 7.582,1185 2.117,1186 18.902,1187 5.165,1188 11.999,1189 1.471,1190 1.508,1191 1.502,1192 1.472,1193 1.467,1194 1.899,1195 0.073,1196 4.09,1197 1.423,1198 4.141,1199 4.173,1200 4.132,1201 4.061,1202 7.429,1203 4.066,1204 4.099,1205 4.128,1206 4.08,1207 4.024,1208 5.04,1209 4.03,1210 3.79,1211 3.855,1212 3.778,1213 3.67,1214 4.954,1215 3.654,1216 3.736,1217 3.78,1218 3.629,1219 3.653,1220 4.685,1221 3.636,1222 3.629,1223 3.7,1224 3.499,1225 3.462,1226 4.302,1227 3.456,1228 3.479,1229 3.534,1230 3.413,1231 3.338,1232 4.27,1233 3.338,1234 3.359,1235 3.432,1236 3.331,1237 3.21,1238 4.193,1239 3.201,1240 3.247,1241 3.307,1242 3.182,1243 3.086,1244 4.147,1245 3.081,1246 0.116,1247 0.09,1248 0.171,1249 0.105,1250 0.081,1251 4.651,1252 0.115,1253 3.596,1254 0.026,1255 6.833,1256 0.284,1257 4.214,1258 0.079,1259 3.235,1260 4.582,1261 1.058,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.149,1267 2.158,1268 1.438,1269 2.159,1270 1.935,1271 1.913,1272 2.046,1273 2.018,1274 1.402,1275 2.023,1276 1.797,1277 1.735,1278 2.024,1279 1.961,1280 1.214,1281 1.99,1282 1.75,1283 1.709,1284 1.927,1285 1.864,1286 1.148,1287 1.893,1288 1.639,1289 1.579,1290 1.88,1291 1.847,1292 1.138,1293 1.856,1294 1.535,1295 1.482,1296 1.695,1297 1.733,1298 0.922,1299 1.732,1300 1.353,1301 1.282,1302 1.609,1303 1.582,1304 0.756,1305 1.598,1306 1.222,1307 1.162,1308 1.463,1309 1.418,1310 0.71,1311 1.43,1312 4.394,1314 5.694,1315 2.398,1316 7.197,1317 4.727,1318 8.807,1319 6.843,1320 10.481,1323 6.239,1328 13.304,1329 6.819,1340 44.057,1341 101.9,1342 246.187,1343 316.981,1344 374.632,1345 396.632,1346 402.632,1347 60.574,1348 8.367,1349 69.81,1350 69.81,1351 29,1352 12.818,1353 4.524,1354 3.644,1355 55.255,1356 230,1357 184,1358 0.113,1359 271.806,1360 463.76,1361 654.967,1362 73210,1363 1.4,1364 24.744,1365 0.687,1366 0.6,1367 25.244,1368 21.593,1369 17.704,1370 0.443,1371 0.344,1372 13.34,1373 17.062,1374 13.066,1375 10.826,1376 17.992,1377 13.775,1378 15.283,1379 0.283,1380 0.19,1381 15.691,1382 10.269,1383 13.043,1384 0.179,1385 0.103,1386 13.305,1387 7.485,1388 11.191,1389 0.114,1390 0.056,1391 11.425,1392 5.494,1393 9.182,1394 0.074,1395 0.032,1396 9.414,1397 3.97,1398 0.19,1399 111.744,1400 0.19,1401 34.336,1402 0.278,1403 188,1404 438.583,1405 212.95,1406 465.625,1407 642.83,1408 438,1409 221,1410 460.668,1411 240.745,1412 479.276,1413 706.7,1414 456,1415 7.337}
{0 CHEMBL223785,1 1.675,2 4.846,3 0.654,4 0.428,5 45.157,6 8.859,7 0.429,8 3.152,9 3.228,10 2.849,11 2.68,12 4.452,13 2.718,14 3.627,15 3.735,16 3.209,17 3.017,18 4.957,19 3.057,20 3.729,21 3.828,22 3.279,23 3.012,24 5.359,25 3.061,26 3.66,27 3.793,28 2.97,29 2.838,30 5.015,31 2.858,32 3.566,33 3.76,34 2.589,35 2.529,36 5.057,37 2.488,38 3.137,39 3.404,40 1.587,41 1.981,42 4.317,43 1.811,44 2.412,45 2.649,46 0.527,47 0.905,48 3.829,49 0.849,56 0.095,57 0.275,58 2.709,59 1.724,60 8.833,61 1.686,62 0.255,63 0.418,64 5.949,65 2.785,66 23.638,67 2.821,68 0.36,69 0.441,70 6.505,71 3.022,72 52.221,73 3.086,74 0.282,75 0.405,76 6.604,77 2.79,78 30.833,79 2.735,80 0.421,81 0.343,82 7.862,83 2.506,84 41.361,85 2.965,86 0.202,87 0.207,88 6.182,89 1.948,90 32.334,91 2.636,92 0.193,93 0.072,94 3.613,95 0.687,96 37.917,97 0.609,104 11,105 20,106 0.356,107 0.746,108 0.818,109 0.869,110 0.869,111 0.869,112 2.672,113 0.807,114 -1.98,115 -2.03,116 -2.03,121 45,126 1,144 3,145 1,146 2,159 1,160 1,176 3,180 2,183 1,185 1,187 2,191 1,192 4,195 2,197 2,200 1,206 3,211 1,218 2,219 3,281 119,282 8.715,283 8.715,284 8.715,285 8.715,286 8.715,287 7.78,288 10.551,289 4.965,290 8.889,291 6.8,292 6.8,293 6.8,294 6.8,295 6.8,296 5.206,297 13.713,298 2.217,299 6.955,300 2.647,301 0.813,302 0.475,303 0.238,304 0.238,305 0.238,306 3.302,311 1,312 1,313 129,314 1.871,317 21.579,318 27.656,321 41.731,325 0.675,326 19.334,329 1,330 0.83,331 0.83,332 0.4,334 1,335 1,336 0.72,337 29.5,338 63,339 4.551,340 3.893,341 6.79,342 4.213,343 3.218,344 4.18,345 1.058,346 11.109,347 3.205,348 3.834,349 3.051,350 5.848,351 3.449,352 2.46,353 3.203,354 0.86,355 7.785,356 2.419,357 3.225,358 2.874,359 5.015,360 2.822,361 1.825,362 2.425,364 5.383,365 1.804,366 2.86,367 2.096,368 4.365,369 2.42,370 1.436,371 1.998,373 3.849,374 1.407,375 2.57,376 1.538,377 3.592,378 2.108,379 1.119,380 1.442,382 2.548,383 1.089,384 1.745,385 1.131,386 2.794,387 1.375,388 0.448,389 0.547,391 0.741,392 0.406,393 1.226,394 0.604,395 2.43,396 0.818,397 -0.199,398 -0.275,400 -0.401,401 -0.199,402 0.739,403 0.035,404 2.283,405 0.298,406 -0.688,407 -0.94,409 -1.499,410 -0.669,411 0.547,412 -0.353,413 2,414 0.095,415 -0.922,416 -1.213,418 -2.399,419 -0.921,420 0.092,421 -1.01,422 1.541,423 -0.296,424 -1.369,425 -1.91,427 -3.79,428 -1.411,429 -0.481,430 -1.212,431 1.264,432 -0.702,433 -1.614,434 -2,436 -4.271,437 -1.52,438 -0.5,439 -1.516,440 1.094,441 -0.82,442 -1.795,443 -2.168,445 -5.686,446 -1.745,447 -0.579,448 -1.811,449 0.571,450 -0.979,451 -1.919,452 -2.289,453 -0.86,454 -6.1,455 -1.863,456 -0.828,457 -2,458 0.412,459 -1,460 -2,461 -3,462 -1.058,463 -7.27,464 -2,474 5.9,475 0.454,476 0.35,477 0.027,478 18.5,479 1.423,480 10,481 0.769,482 8.5,483 0.654,484 6.218,485 0.478,486 13.9,487 0.695,488 11.36,489 0.874,490 3.921,491 0.302,492 2.316,493 0.178,494 0.198,496 0.424,501 0.721,502 1.167,503 0.625,504 1.017,505 0.55,506 0.831,507 0.905,508 0.974,509 0.693,510 0.824,511 0.65,512 0.721,513 0.815,514 1.092,515 0.783,516 1.073,517 0.809,518 0.966,519 1.215,520 1.255,521 1.183,522 1.254,523 0.982,524 1.213,525 0.862,526 0.849,527 1.208,528 1.002,529 0.976,530 1.155,531 0.872,532 0.947,533 1.182,534 1.127,535 1.195,536 1.248,537 2.738,539 2.033,540 0.02,541 3.832,542 0.602,549 2.5,551 2,552 1.451,553 0.733,554 0.396,559 895,560 3472,561 1.992,562 35,564 6,567 1,572 1.493,573 1.814,574 2.378,575 -0.127,579 1,582 33.503,583 1.675,584 3.509,585 3.846,586 4.084,587 4.084,588 4.084,589 1.776,590 3.547,591 3.674,592 2.369,593 184.778,594 6.123,595 1359.37,597 1,600 86.439,601 1.549,602 3.601,603 0.179,605 0.1,606 0.073,607 0.052,608 0.05,613 0.453,614 0.83,615 1,616 1.057,617 45.67,618 -0.088,619 -0.078,620 0.018,621 -0.044,622 -0.065,623 0.016,624 -0.075,625 0.047,626 0.106,627 0.144,628 -0.029,629 0.173,630 0.162,631 -0.102,632 0.055,633 -0.131,634 0.179,635 -0.102,636 -0.254,637 -0.297,638 -0.286,639 -0.329,640 -0.151,641 -0.317,642 0.179,643 0.066,644 -0.107,645 -0.084,646 0.081,647 -0.153,648 -0.016,649 -0.182,650 0.079,651 -0.138,652 -0.072,653 -0.036,654 -0.895,655 0.679,656 -0.481,657 0.896,658 -1.111,659 0.486,666 2.264,667 4.197,668 0.692,669 5.396,670 1.037,671 1.119,672 0.751,673 0.564,674 0.683,675 2.708,676 3.045,677 3.367,678 3.611,679 3.738,680 3.638,681 3.497,682 3.296,683 2.639,684 1.946,685 3.142,686 0.687,687 177.17,688 2.708,689 4.234,690 5.106,691 5.999,692 6.893,693 7.791,694 8.689,695 9.588,696 10.487,697 11.387,698 5,705 1,715 3,720 3,722 6,727 1,739 1,741 20,743 8,744 1,745 14,747 21,748 9,749 6,750 3,751 3,752 2,756 2,757 3,772 8,773 1,777 2,782 2,786 2,793 7,794 4,795 1,796 4,802 1,808 0.5,809 3,828 1,829 1,832 1,843 1,859 1,864 1,868 13,877 1,878 1,893 15,896 2,898 1,901 7.167,902 4,903 2.944,904 1.056,907 1.541,908 1.276,909 0.964,910 1.725,911 7.132,912 2.996,913 3.57,914 4.171,915 4.667,916 5.14,917 5.231,918 5.364,919 5.39,920 4.913,921 4.375,922 1,923 20,924 4.783,925 -0.003,926 2.077,927 0.026,929 8.295,931 8.624,932 -0.001,933 6.853,934 0.001,936 2.795,937 36.333,938 0.003,941 70.627,942 60.336,943 18.011,945 61.29,948 60.336,949 131.916,950 18.011,951 10.883,952 18.011,953 28.429,954 60.128,955 22.186,957 70.627,959 70.627,960 78.346,961 61.29,964 70.627,965 61.29,968 18.011,969 60.336,972 70.627,973 79.3,974 60.336,977 70.627,978 21.024,979 39.312,980 18.011,981 61.29,982 70.627,983 79.3,984 60.336,986 0.584,987 0.374,988 0.203,989 0.105,990 11,991 5,992 0.048,993 1,994 1,995 1.222,996 2.426,997 81.878,998 0.222,999 9,1000 48.106,1005 8.108,1006 2.765,1007 1.078,1009 79.3,1010 4.964,1015 1.362,1017 18.011,1018 210.263,1019 19,1024 22.18,1028 -1.103,1031 20.735,1032 22.372,1034 0.388,1035 0.812,1036 0.89,1037 0.945,1038 0.945,1039 0.945,1040 4.227,1041 -0.688,1042 5.118,1043 -0.401,1044 3.714,1045 4.248,1046 1.552,1047 5.989,1048 3.685,1049 5.448,1050 -0.922,1051 6.725,1052 -1.499,1053 3.434,1054 4.182,1056 7.029,1057 3.43,1058 6.777,1059 -1.369,1060 8.435,1061 -2.399,1062 5.361,1063 6.445,1064 1.527,1065 10.158,1066 5.319,1067 8.147,1068 -1.614,1069 10.203,1070 -3.79,1071 5.916,1072 7.187,1074 12.021,1075 5.894,1076 9.551,1077 -1.795,1078 12.007,1079 -4.271,1080 7.348,1081 8.96,1082 1.53,1083 14.679,1084 7.302,1085 10.979,1086 -1.919,1087 13.835,1088 -5.686,1089 8.263,1090 10.061,1092 16.866,1093 8.228,1094 12.425,1095 -2,1096 15.68,1097 -6.1,1098 9.517,1099 11.644,1100 1.557,1101 19.365,1102 9.469,1103 3.218,1105 17.538,1106 -7.27,1107 10.581,1108 12.912,1110 21.682,1111 10.537,1112 2.46,1113 11.109,1114 19.407,1116 11.774,1117 14.413,1118 1.603,1119 24.124,1120 11.723,1121 1.825,1122 7.785,1123 21.283,1124 4.18,1125 12.898,1126 15.761,1128 26.494,1129 12.847,1130 1.436,1131 5.383,1132 23.166,1133 3.203,1134 14.071,1135 17.225,1136 1.663,1137 28.914,1138 14.015,1139 1.119,1140 3.849,1141 25.055,1142 2.425,1143 15.22,1144 18.612,1146 31.306,1147 15.162,1148 0.448,1149 2.548,1150 26.947,1151 1.998,1152 16.388,1153 20.059,1154 1.734,1155 33.718,1156 16.326,1157 -0.199,1158 0.741,1159 28.843,1160 1.442,1161 17.547,1162 21.467,1164 36.119,1165 17.482,1166 979,1167 1986,1168 8.959,1169 13.653,1170 21.283,1171 23.054,1172 22.649,1173 20.946,1174 21.012,1175 27.59,1176 3.837,1177 62.831,1178 20.659,1179 5.379,1180 5.893,1181 6.378,1182 5.213,1183 5.218,1184 7.18,1185 2.117,1186 18.378,1187 5.205,1188 6.565,1189 1.52,1190 1.647,1191 1.618,1192 1.496,1193 1.501,1194 1.971,1195 0.274,1196 4.488,1197 1.476,1198 4.006,1199 4.02,1200 3.977,1201 3.905,1202 7.499,1203 3.918,1204 3.463,1205 3.475,1206 3.414,1207 3.252,1208 7.352,1209 3.29,1210 3.235,1211 3.3,1212 3.064,1213 2.969,1214 4.847,1215 2.98,1216 2.847,1217 2.904,1218 2.716,1219 2.647,1220 4.364,1221 2.641,1222 2.598,1223 2.607,1224 2.535,1225 2.415,1226 3.924,1227 2.44,1228 2.474,1229 2.512,1230 2.348,1231 2.082,1232 3.452,1233 2.158,1234 1.898,1235 1.966,1236 1.673,1237 1.357,1238 3.015,1239 1.423,1240 1.493,1241 1.67,1242 1.168,1243 1.024,1244 2.563,1245 0.993,1246 0.325,1247 0.278,1248 0.485,1249 0.301,1250 0.23,1251 4.551,1252 0.299,1253 3.893,1254 0.076,1255 6.79,1256 0.793,1257 4.213,1258 0.229,1259 3.218,1260 4.18,1261 1.058,1262 11.109,1263 3.205,1264 1.871,1265 1.855,1266 1.958,1267 1.966,1268 1.076,1269 1.963,1270 1.373,1271 1.371,1272 1.575,1273 1.657,1274 0.576,1275 1.593,1276 1.173,1277 1.097,1278 1.403,1279 1.497,1280 0.313,1281 1.506,1282 0.945,1283 0.895,1284 1.123,1285 1.165,1286 0.2,1287 1.152,1288 0.676,1289 0.622,1290 0.932,1291 0.878,1293 0.9,1296 0.398,1297 0.421,1299 0.373,1302 0.205,1303 0.307,1305 0.235,1309 0.015,1311 0.095,1312 3.367,1314 4.691,1315 2.398,1316 6.232,1317 4.844,1318 7.868,1319 7.018,1320 9.552,1322 1.491,1329 2.453,1330 4.987,1340 13.746,1341 33.503,1342 70.174,1343 76.929,1344 81.684,1345 81.684,1346 81.684,1347 20.579,1348 5.591,1349 59.16,1350 59.16,1351 11,1352 11.909,1353 3.17,1354 2.585,1355 18.968,1356 25,1357 23,1358 0.432,1359 86.461,1360 152.81,1361 202.724,1362 1329,1364 9.422,1365 0.725,1366 0.535,1367 9.422,1368 6.957,1369 6.236,1370 0.445,1371 0.269,1372 3.678,1373 5.895,1374 3.588,1375 2.982,1376 6.236,1377 3.765,1378 5.499,1379 0.275,1380 0.133,1381 5.499,1382 2.666,1383 5.009,1384 0.179,1385 0.069,1386 5.009,1387 1.936,1388 3.986,1389 0.111,1390 0.036,1391 3.986,1392 1.312,1393 3.058,1394 0.075,1395 0.019,1396 3.058,1397 0.787,1398 0.606,1399 40.097,1400 0.334,1401 12.609,1402 1.414,1403 68,1404 269.539,1405 77.25,1406 250.322,1407 329.57,1408 232,1409 82,1410 230.072,1411 91.861,1412 231.607,1413 340.75,1414 216,1415 4}
{0 CHEMBL224158,1 1.354,2 15.559,3 6.085,4 37.028,5 139.145,6 6.686,7 0.553,8 4.292,9 4.427,10 3.774,11 3.871,12 5.255,13 3.819,14 4.862,15 5.051,16 4.107,17 4.291,18 5.764,19 4.2,20 5.169,21 5.421,22 4.155,23 4.412,24 5.995,25 4.291,26 5.162,27 5.413,28 4.071,29 4.374,30 6.007,31 4.244,32 5.145,33 5.405,34 3.971,35 4.341,36 5.943,37 4.191,38 5.151,39 5.418,40 3.901,41 4.31,42 5.966,43 4.14,44 5.124,45 5.41,46 3.743,47 4.226,48 5.882,49 4.035,50 5.015,51 5.309,52 3.611,53 4.092,54 5.76,55 3.896,56 0.075,57 0.985,58 15.563,59 6.487,60 8.803,61 9.171,62 0.203,63 1.641,64 28.427,65 11.384,66 20.663,67 16.383,68 0.304,69 2.067,70 40.08,71 14.735,72 36.087,73 21.636,74 0.389,75 2.06,76 40.137,77 13.991,78 42.91,79 20.657,80 0.321,81 1.977,82 39.327,83 14.351,84 36.993,85 21.067,86 0.405,87 1.926,88 39.745,89 15.097,90 44.938,91 21.772,92 0.297,93 1.813,94 38.835,95 14.782,96 42.44,97 21.43,98 0.329,99 1.615,100 35.005,101 13.076,102 41.869,103 19.121,104 2,105 51,106 0.212,107 0.532,108 0.707,109 0.843,110 0.889,111 0.903,112 3.56,113 1.007,114 -4.61,115 -4.53,116 -4.26,121 42.6,123 9,127 2,144 8,145 4,146 1,148 2,153 1,154 1,160 1,176 17,180 5,183 1,185 8,187 17,192 5,197 8,200 12,206 4,209 1,211 9,214 13,219 2,224 3,227 17,232 3,235 1,236 2,237 1,239 18,244 3,249 2,251 13,256 2,259 1,261 5,264 9,274 4,277 6,281 2106,282 23.811,283 23.811,284 23.811,285 23.811,286 23.811,287 21.212,288 20.323,289 14.6,290 24.013,291 18.834,292 18.834,293 18.834,294 18.834,295 18.834,296 14.795,297 19.15,298 6.983,299 19.148,300 4.733,301 2.691,302 1.577,303 0.706,304 0.412,305 0.324,306 4.275,312 1,313 1186,314 4,317 85.417,318 359.616,321 158.481,322 292.646,325 2.31,326 21.103,329 1,330 0.67,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.83,337 71,338 529,339 4.64,340 3.58,341 6.829,342 4.207,343 3.226,344 4.564,345 1.907,346 11.348,347 3.162,348 4.524,349 3.361,350 6.526,351 4.049,352 3.062,353 4.473,354 0.4,355 10.265,356 3.022,357 3.914,358 3.127,359 5.982,360 3.524,361 2.532,362 3.437,363 0.149,364 8.37,365 2.512,366 3.668,367 2.669,368 5.381,369 3.389,370 2.383,371 2.893,373 6.711,374 2.385,375 3.522,376 2.356,377 5.173,378 3.135,379 2.181,380 2.872,382 6.283,383 2.079,384 3.384,385 2.192,386 4.979,387 2.982,388 1.992,389 2.705,391 5.765,392 1.97,393 3.046,394 1.905,395 4.183,396 2.775,397 1.782,398 2.318,400 3.771,401 1.768,402 2.94,403 1.687,404 4.116,405 2.518,406 1.546,407 2.142,409 3.699,410 1.507,411 2.825,412 1.546,413 3.975,414 2.515,415 1.527,416 1.835,418 3.329,419 1.501,420 2.655,421 1.504,422 3.775,423 2.345,424 1.347,425 1.722,427 3.305,428 1.343,429 2.602,430 1.43,431 3.599,432 2.318,433 1.347,434 1.632,436 2.902,437 1.305,438 2.49,439 1.35,440 3.594,441 2.242,442 1.247,443 1.489,445 2.89,446 1.24,447 2.375,448 1.3,449 3.571,450 2.186,451 1.192,452 1.367,454 2.765,455 1.184,456 2.159,457 1.127,458 3.348,459 1.88,460 0.913,461 1.049,463 2.11,464 0.88,465 1.992,466 0.996,467 3.172,468 1.726,469 0.749,470 0.931,472 1.708,473 0.729,474 16.433,475 0.483,476 0.551,477 0.016,478 41.25,479 1.213,480 20,481 0.588,482 21.25,483 0.625,484 32.621,485 0.959,486 36.367,487 0.535,488 28.095,489 0.826,490 7.499,491 0.221,492 9.294,493 0.273,494 0.02,496 0.274,501 0.841,502 1.205,503 0.903,504 1.037,505 0.583,506 0.98,507 0.744,508 1.226,509 0.991,510 1.127,511 0.582,512 1.085,513 1.064,514 1.046,515 0.932,516 0.945,517 0.993,518 0.928,519 1.38,520 1.03,521 1.127,522 0.996,523 1.25,524 1.028,525 1.173,526 1.023,527 1.108,528 1.043,529 1.036,530 1.06,531 0.998,532 0.963,533 1.074,534 1.069,535 1.179,536 1.08,537 1.041,538 0.993,539 1.027,540 1.045,541 1.215,542 1.042,543 0.97,544 0.945,545 0.986,546 0.98,547 1.146,548 0.99,549 4,550 0.119,551 3.333,552 1.979,553 1.462,554 0.639,555 0.513,556 0.237,557 0.158,558 0.107,559 22193,560 45443,561 2.182,562 50,563 10,564 12,565 1,567 3,568 4,569 4,572 1.75,573 2.125,574 3.818,575 0.724,582 92.092,583 1.354,584 3.396,585 4.511,586 5.382,587 5.676,588 5.764,589 3.122,590 4.256,591 5.067,592 4.1,593 2299.95,594 8.823,595 39590.4,600 413.947,601 1.012,602 5.053,603 0.105,604 0.005,605 0.065,606 0.038,607 0.032,608 0.016,609 0.014,610 0.008,611 0.006,612 0.004,613 0.292,614 0.17,615 0.88,616 0.299,617 189.092,618 -0.032,619 -0.011,620 0.052,621 0.042,622 0.021,623 0.053,624 0.079,625 -0.119,626 -0.029,627 -0.087,628 0.067,629 -0.071,630 -0.035,631 -0.032,632 0.058,633 0.038,634 -0.028,635 0.053,636 -0.14,637 0.014,638 -0.119,639 -0.039,640 -0.119,641 -0.071,642 -0.121,643 -0.017,644 -0.117,645 -0.069,646 -0.066,647 -0.086,648 0.07,649 -0.001,650 -0.085,651 -0.086,652 0.004,653 -0.098,654 -0.039,655 -0.077,656 -0.042,657 -0.063,658 -0.027,659 -0.055,660 0.045,661 -0.035,662 0.003,663 -0.009,664 0.011,665 -0.009,666 1.529,667 5.27,668 0.676,669 37.467,670 0.985,671 1.124,672 3.378,673 11.413,674 0.66,675 3.664,676 3.951,677 4.248,678 4.533,679 4.762,680 4.804,681 4.913,682 4.99,683 4.963,684 4.844,685 9.481,686 0.613,687 454.67,688 3.664,689 5.187,690 6.038,691 6.907,692 7.778,693 8.658,694 9.538,695 10.424,696 11.31,697 12.2,698 5.9,703 1,705 1,706 1,708 1,714 4,715 9,716 1,717 1,720 4,722 21,734 1,741 68,743 22,744 2,745 38,747 72,748 29,749 17,750 4,751 8,756 5,757 9,767 4,770 9,772 18,773 11,777 1,782 1,786 1,793 34,794 4,795 3,796 5,802 4,808 0.4,809 1,822 1,824 1,828 1,829 4,832 1,833 2,843 1,859 2,868 34,876 11,877 2,893 1.5,896 1,901 16,902 11.867,903 7.583,904 4.621,907 4.126,908 1.5,909 1.023,910 7.453,911 12.386,912 3.922,913 4.519,914 5.151,915 5.777,916 6.324,917 6.621,918 6.988,919 7.318,920 7.41,921 7.278,922 0.9,923 52,924 12.645,926 5.358,927 0.026,929 7.471,931 25.169,933 21.339,936 1.971,937 67,941 364.904,942 137.903,943 69.593,945 25.145,948 137.903,949 390.049,950 69.593,952 45.033,953 84.857,954 64.646,955 35.96,956 13.915,957 353.133,959 364.904,960 207.496,961 25.145,964 317.82,965 72.229,968 66.719,969 105.98,970 34.796,972 364.904,973 94.737,974 137.903,977 364.904,978 53.046,979 84.857,980 52.807,981 41.93,982 364.904,983 94.737,984 137.903,986 0.565,987 0.333,988 0.191,989 0.106,990 24,991 9,992 0.139,993 10,994 3,995 1.261,996 4.811,997 303.24,998 0.261,999 23,1000 168.974,1005 22.924,1006 11.054,1007 5.469,1008 4.685,1009 77.952,1010 18.751,1011 4.926,1012 3.281,1015 5.212,1017 52.807,1018 597.545,1019 49.5,1024 12.27,1028 0.137,1031 66.989,1032 76.431,1034 0.222,1035 0.558,1036 0.741,1037 0.884,1038 0.932,1039 0.947,1040 5.137,1041 1.546,1042 5.984,1043 3.771,1044 4.635,1045 5.207,1046 1.997,1047 6.777,1048 4.602,1049 6.319,1050 1.527,1051 7.519,1052 3.699,1053 4.007,1054 4.997,1055 1.593,1056 7.662,1057 3.972,1058 7.618,1059 1.347,1060 9.165,1061 3.329,1062 6.188,1063 7.466,1064 2.907,1065 10.817,1066 6.123,1067 8.963,1068 1.347,1069 10.883,1070 3.305,1071 6.494,1072 8.202,1073 3.032,1074 12.626,1075 6.42,1076 10.35,1077 1.247,1078 12.649,1079 2.902,1080 8.059,1081 10.095,1082 4.038,1083 15.275,1084 7.962,1085 11.766,1086 1.192,1087 14.448,1088 2.89,1089 8.819,1090 11.26,1091 4.409,1092 17.437,1093 8.708,1094 13.207,1095 0.913,1096 16.272,1097 2.765,1098 10.129,1099 12.926,1100 5.25,1101 19.925,1102 9.999,1103 3.226,1104 0.749,1105 18.113,1106 2.11,1107 11.106,1108 14.284,1109 5.75,1110 22.228,1111 10.957,1112 3.062,1113 11.348,1114 19.966,1115 1.708,1116 12.313,1117 15.857,1118 6.501,1119 24.662,1120 12.146,1121 2.532,1122 10.265,1123 21.83,1124 4.564,1125 13.388,1126 17.3,1127 7.068,1128 27.024,1129 13.2,1130 2.383,1131 8.37,1132 23.701,1133 4.473,1134 14.557,1135 18.835,1136 7.771,1137 29.44,1138 14.352,1139 2.181,1140 6.711,1141 25.579,1142 3.437,1143 15.676,1144 20.316,1145 8.374,1146 31.829,1147 15.45,1148 1.992,1149 6.283,1150 27.461,1151 2.893,1152 16.833,1153 21.835,1154 9.051,1155 34.241,1156 16.588,1157 1.782,1158 5.765,1159 29.348,1160 2.872,1161 17.971,1162 23.332,1163 9.674,1164 36.643,1165 17.706,1166 20174,1167 29007,1168 26.523,1169 44.898,1170 55.79,1171 57.015,1172 56.783,1173 55.68,1174 55.721,1175 72.83,1176 4.912,1177 154.208,1178 54.794,1179 5.607,1180 5.58,1181 6.691,1182 5.247,1183 5.226,1184 7.564,1185 3.306,1186 18.879,1187 5.162,1188 7.893,1189 1.468,1190 1.5,1191 1.494,1192 1.465,1193 1.466,1194 1.917,1195 0.129,1196 4.058,1197 1.442,1198 4.14,1199 4.175,1200 4.095,1201 4.061,1202 7.429,1203 4.065,1204 4.098,1205 4.129,1206 4.058,1207 4.024,1208 4.986,1209 4.028,1210 3.766,1211 3.83,1212 3.64,1213 3.652,1214 4.955,1215 3.638,1216 3.731,1217 3.78,1218 3.615,1219 3.606,1220 4.413,1221 3.598,1222 3.619,1223 3.675,1224 3.487,1225 3.471,1226 4.311,1227 3.467,1228 3.439,1229 3.51,1230 3.314,1231 3.274,1232 4.273,1233 3.277,1234 3.338,1235 3.404,1236 3.208,1237 3.177,1238 4.147,1239 3.178,1240 3.212,1241 3.282,1242 3.066,1243 3.061,1244 3.978,1245 3.05,1246 0.122,1247 0.094,1248 0.18,1249 0.111,1250 0.085,1251 4.64,1252 0.12,1253 3.58,1254 0.05,1255 6.829,1256 0.299,1257 4.207,1258 0.083,1259 3.226,1260 4.564,1261 1.907,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.436,1269 2.163,1270 1.941,1271 1.918,1272 2.042,1273 2.02,1274 1.334,1275 2.028,1276 1.755,1277 1.709,1278 1.992,1279 1.943,1280 1.241,1281 1.959,1282 1.751,1283 1.69,1284 1.948,1285 1.873,1286 1.147,1287 1.902,1288 1.666,1289 1.612,1290 1.863,1291 1.845,1292 1.048,1293 1.856,1294 1.451,1295 1.382,1296 1.696,1297 1.692,1298 0.951,1299 1.695,1300 1.318,1301 1.258,1302 1.527,1303 1.546,1304 0.755,1305 1.551,1306 1.213,1307 1.146,1308 1.464,1309 1.396,1310 0.627,1311 1.42,1312 4.344,1314 5.638,1315 2.398,1316 7.138,1317 4.727,1318 8.743,1319 6.823,1320 10.409,1328 10.915,1329 6.825,1340 41.702,1341 92.092,1342 230.946,1343 306.728,1344 365.947,1345 385.947,1346 391.947,1347 52.711,1348 8.26,1349 69.81,1350 69.81,1351 29,1352 12.73,1353 4.524,1354 3.644,1355 50.652,1356 202,1357 164,1358 0.118,1359 253.881,1360 431.25,1361 611.229,1362 63184,1364 23.167,1365 0.681,1366 0.583,1367 23.167,1368 19.83,1369 16.793,1370 0.442,1371 0.336,1372 12.667,1373 16.455,1374 12.432,1375 10.288,1376 16.793,1377 12.755,1378 14.39,1379 0.282,1380 0.183,1381 14.39,1382 9.333,1383 12.387,1384 0.18,1385 0.101,1386 12.387,1387 6.943,1388 10.582,1389 0.115,1390 0.056,1391 10.582,1392 5.118,1393 8.783,1394 0.076,1395 0.032,1396 8.783,1397 3.698,1398 0.198,1399 103.105,1400 0.194,1401 32.642,1402 0.294,1403 178,1404 400.379,1405 187.43,1406 399.051,1407 563.58,1408 378,1409 209,1410 425.805,1411 218.488,1412 434.002,1413 637.34,1414 414,1415 7.155}
{0 CHEMBL224202,1 1.447,2 16.944,3 7.183,4 51.588,5 149.719,6 7.263,7 0.525,8 4.31,9 4.438,10 3.859,11 3.909,12 5.307,13 3.858,14 4.868,15 5.047,16 4.212,17 4.325,18 5.827,19 4.238,20 5.174,21 5.418,22 4.259,23 4.449,24 6.043,25 4.328,26 5.158,27 5.403,28 4.185,29 4.398,30 6.044,31 4.272,32 5.127,33 5.378,34 4.086,35 4.36,36 5.969,37 4.218,38 5.137,39 5.39,40 4.084,41 4.338,42 6.004,43 4.181,44 5.133,45 5.402,46 3.964,47 4.288,48 5.955,49 4.105,50 5.038,51 5.309,52 3.806,53 4.179,54 5.84,55 3.986,56 0.062,57 0.978,58 14.731,59 6.425,60 8.44,61 8.873,62 0.184,63 1.625,64 27.88,65 11.397,66 24.593,67 15.98,68 0.305,69 2.054,70 42.803,71 15.415,72 41.724,73 21.862,74 0.414,75 2.036,76 41.806,77 14.478,78 47.984,79 20.686,80 0.313,81 1.944,82 39.49,83 14.487,84 39.966,85 20.605,86 0.412,87 1.895,88 41.254,89 15.147,90 48.235,91 21.334,92 0.379,93 1.814,94 44.521,95 15.559,96 50.349,97 21.648,98 0.365,99 1.614,100 43.245,101 14.271,102 47.889,103 19.768,104 5,105 54,106 0.225,107 0.569,108 0.738,109 0.852,110 0.884,111 0.898,112 3.615,113 1.008,114 -5.19,115 -5.08,116 -4.75,121 43.5,123 8,127 2,137 2,144 7,145 4,146 2,148 2,153 1,154 1,160 1,176 16,180 5,183 1,185 8,187 19,192 4,197 8,200 13,206 5,209 1,211 9,214 14,219 2,224 4,227 15,232 3,235 1,236 1,237 2,239 18,244 4,248 1,249 2,251 16,256 2,261 2,264 13,269 1,272 1,274 4,277 11,281 2522,282 24.966,283 24.966,284 24.966,285 24.966,286 24.966,287 22.236,288 19.322,289 15.236,290 25.304,291 19.817,292 19.817,293 19.817,294 19.817,295 19.817,296 15.52,297 18.741,298 7.313,299 20.398,300 4.662,301 2.458,302 1.372,303 0.638,304 0.435,305 0.348,306 4.327,308 1,312 1,313 1358,314 4.183,317 93.25,318 391.07,321 172.716,322 317.44,325 2.404,326 23.69,329 0.75,330 0.67,331 0.67,332 0.7,333 0.5,334 0.83,335 1,336 0.73,337 75.333,338 610,339 4.651,340 3.456,341 6.833,342 4.214,343 3.235,344 4.582,345 1.058,346 11.364,347 3.165,348 4.532,349 3.373,350 6.526,351 4.049,352 3.062,353 4.485,354 0.4,355 10.265,356 3.022,357 3.99,358 3.056,359 6.004,360 3.58,361 2.61,362 3.534,364 8.477,365 2.532,366 3.762,367 2.943,368 5.427,369 3.389,370 2.383,371 3.065,373 6.886,374 2.385,375 3.584,376 2.562,377 5.173,378 3.192,379 2.252,380 2.961,382 6.283,383 2.103,384 3.399,385 2.272,386 4.979,387 2.983,388 1.995,389 2.706,391 5.765,392 1.971,393 3.365,394 2.027,395 4.899,396 2.889,397 1.983,398 2.699,400 5.573,401 1.821,402 3.046,403 1.919,404 4.183,405 2.817,406 1.825,407 2.318,409 3.785,410 1.703,411 2.873,412 1.717,413 4.121,414 2.518,415 1.546,416 1.885,418 3.741,419 1.501,420 2.721,421 1.546,422 3.976,423 2.468,424 1.491,425 1.774,427 3.404,428 1.45,429 2.667,430 1.473,431 3.802,432 2.406,433 1.416,434 1.712,436 3.235,437 1.398,438 2.505,439 1.433,440 3.607,441 2.249,442 1.257,443 1.499,445 2.981,446 1.246,447 2.481,448 1.273,449 3.588,450 2.197,451 1.204,452 1.472,454 2.801,455 1.195,456 2.37,457 1.234,458 3.446,459 2.016,460 1.049,461 1.211,463 2.402,464 1.008,465 2.102,466 0.946,467 3.226,468 1.771,469 0.801,470 1.049,472 1.831,473 0.773,474 17.648,475 0.49,476 0.657,477 0.018,478 44,479 1.222,480 21.5,481 0.597,482 22.5,483 0.625,484 35.034,485 0.973,486 38.152,487 0.553,488 31.066,489 0.863,490 8.068,491 0.224,492 9.618,493 0.267,494 0.059,496 0.283,501 0.758,502 1.182,503 0.73,504 0.958,505 0.57,506 0.927,507 0.698,508 1.218,509 0.814,510 1.055,511 0.521,512 1.041,513 0.942,514 1.041,515 0.873,516 0.929,517 0.821,518 0.914,519 1.077,520 1.025,521 0.924,522 0.968,523 1.016,524 0.995,525 1.021,526 1.019,527 0.875,528 0.978,529 0.984,530 1.018,531 0.908,532 1.013,533 0.887,534 1.035,535 1.125,536 1.056,537 1.139,538 0.942,539 1.099,540 1.03,541 1.273,542 1.042,543 1.3,544 0.928,545 1.327,546 1.07,547 1.36,548 1.059,549 5,550 0.102,551 3.556,552 2.167,553 1.653,554 0.778,555 0.675,556 0.315,557 0.228,558 0.127,559 26171,560 60978,561 2.154,562 47.8,563 10,564 13,565 1,567 3,568 2,569 4,572 1.764,573 2.077,574 3.931,575 0.718,582 99.816,583 1.447,584 3.651,585 4.736,586 5.471,587 5.674,588 5.761,589 3.253,590 4.837,591 5.149,592 4.206,593 2649.8,594 8.985,595 48203.7,600 421.488,601 1.135,602 5.128,603 0.125,604 0.004,605 0.066,606 0.039,607 0.034,608 0.018,609 0.016,610 0.009,611 0.008,612 0.005,613 0.323,614 0.17,615 0.75,616 0.375,617 204.572,618 -0.04,619 -0.008,620 0.028,621 0.039,622 0.003,623 0.049,624 0.06,625 -0.119,626 -0.004,627 -0.069,628 0.114,629 -0.062,630 -0.027,631 -0.031,632 0.05,633 0.045,634 0.021,635 0.066,636 -0.043,637 0.013,638 -0.036,639 -0.022,640 -0.051,641 -0.039,642 -0.09,643 -0.006,644 -0.035,645 -0.024,646 -0.059,647 -0.05,648 0.092,649 -0.042,650 0.007,651 -0.064,652 0.014,653 -0.075,654 -0.054,655 -0.013,656 -0.045,657 -0.035,658 -0.064,659 -0.048,660 -0.136,661 -0.016,662 -0.132,663 -0.056,664 -0.126,665 -0.058,666 1.712,667 5.18,668 0.639,669 43.17,670 0.99,671 1.121,672 3.957,673 15.656,674 0.678,675 3.714,676 4.007,677 4.29,678 4.575,679 4.812,680 4.883,681 4.99,682 5.088,683 5.063,684 4.949,685 10.121,686 0.631,687 501.12,688 3.714,689 5.242,690 6.089,691 6.959,692 7.828,693 8.71,694 9.59,695 10.479,696 11.365,697 12.258,698 5.8,703 1,705 1,706 1,708 1,714 4,715 8,716 1,717 1,720 5,722 21,734 1,740 1,741 69,743 23,744 2,745 40,747 73,748 30,749 17,750 5,751 7,752 3,756 5,757 9,758 1,767 4,770 8,772 20,773 10,777 2,782 1,784 2,786 1,793 33,794 4,795 3,796 6,797 1,802 4,808 0.4,809 1,822 1,824 1,828 1,829 4,832 1,833 2,843 1,849 2,859 2,865 1,868 36,876 10,877 2,892 1,893 1.4,896 1,901 17.333,902 12.093,903 8,904 4.629,907 4.76,908 1.569,909 1.02,910 8.248,911 13.127,912 3.98,913 4.582,914 5.221,915 5.851,916 6.422,917 6.776,918 7.152,919 7.516,920 7.635,921 7.598,922 0.909,923 55,924 13.351,926 5.65,927 0.026,929 7.535,931 26.328,933 22.147,936 2.035,937 73.278,941 353.133,942 148.345,943 69.593,944 39.149,945 25.145,948 148.345,949 417.427,950 69.593,952 42.498,953 94.334,954 64.646,955 39.461,956 13.915,957 341.362,958 39.149,959 353.133,960 217.938,961 25.145,962 39.149,964 306.049,965 72.229,968 64.185,969 100.004,970 92.897,972 353.133,973 94.737,974 187.494,977 353.133,978 54.012,979 94.334,980 52.807,981 81.079,982 353.133,983 94.737,984 187.494,986 0.568,987 0.329,988 0.186,989 0.105,990 25,991 10,992 0.137,993 10,994 3,995 1.261,996 4.973,997 325.159,998 0.261,999 23,1000 186.117,1005 24.858,1006 11.945,1007 6.131,1008 4.358,1009 77.952,1010 16.049,1011 4.905,1012 3.228,1015 5.63,1017 52.807,1018 635.365,1019 52.5,1024 12.18,1026 3.488,1028 -0.045,1031 68.312,1032 77.375,1034 0.237,1035 0.598,1036 0.775,1037 0.896,1038 0.929,1039 0.943,1040 5.2,1041 1.825,1042 6.043,1043 5.573,1044 4.691,1045 5.27,1046 1.27,1047 6.834,1048 4.637,1049 6.392,1050 1.546,1051 7.579,1052 3.785,1053 4.111,1054 5.085,1056 7.711,1057 4.016,1058 7.694,1059 1.491,1060 9.224,1061 3.741,1062 6.248,1063 7.535,1064 1.27,1065 10.859,1066 6.152,1067 9.04,1068 1.416,1069 10.937,1070 3.404,1071 6.567,1072 8.271,1074 12.65,1075 6.444,1076 10.427,1077 1.257,1078 12.697,1079 3.235,1080 8.113,1081 10.157,1082 1.34,1083 15.301,1084 7.984,1085 11.842,1086 1.204,1087 14.491,1088 2.981,1089 8.874,1090 11.317,1092 17.455,1093 8.724,1094 13.28,1095 1.049,1096 16.308,1097 2.801,1098 10.176,1099 12.98,1100 1.423,1101 19.943,1102 10.014,1103 3.235,1104 0.801,1105 18.144,1106 2.402,1107 11.15,1108 14.336,1110 22.244,1111 10.969,1112 3.062,1113 11.364,1114 19.993,1115 1.831,1116 12.354,1117 15.907,1118 1.51,1119 24.678,1120 12.159,1121 2.61,1122 10.265,1123 21.853,1124 4.582,1125 13.427,1126 17.351,1128 27.04,1129 13.212,1130 2.383,1131 8.477,1132 23.722,1133 4.485,1134 14.596,1135 18.886,1136 1.599,1137 29.457,1138 14.363,1139 2.252,1140 6.886,1141 25.597,1142 3.534,1143 15.714,1144 20.368,1146 31.846,1147 15.461,1148 1.995,1149 6.283,1150 27.477,1151 3.065,1152 16.871,1153 21.889,1154 1.69,1155 34.259,1156 16.6,1157 1.983,1158 5.765,1159 29.363,1160 2.961,1161 18.009,1162 23.388,1164 36.662,1165 17.718,1166 23927,1167 36708,1168 27.622,1169 46.756,1170 59.238,1171 60.24,1172 59.891,1173 58.859,1174 58.656,1175 76.945,1176 2.917,1177 163.079,1178 56.904,1179 5.609,1180 5.456,1181 6.722,1182 5.255,1183 5.235,1184 7.582,1185 2.117,1186 18.902,1187 5.165,1188 11.942,1189 1.481,1190 1.506,1191 1.497,1192 1.471,1193 1.466,1194 1.924,1195 0.073,1196 4.077,1197 1.423,1198 4.14,1199 4.173,1200 4.132,1201 4.064,1202 7.43,1203 4.068,1204 4.099,1205 4.129,1206 4.077,1207 4.027,1208 5.041,1209 4.032,1210 3.777,1211 3.841,1212 3.778,1213 3.664,1214 4.978,1215 3.649,1216 3.736,1217 3.78,1218 3.646,1219 3.63,1220 4.685,1221 3.618,1222 3.633,1223 3.684,1224 3.522,1225 3.492,1226 4.361,1227 3.494,1228 3.472,1229 3.536,1230 3.409,1231 3.323,1232 4.274,1233 3.317,1234 3.355,1235 3.417,1236 3.31,1237 3.194,1238 4.201,1239 3.198,1240 3.249,1241 3.306,1242 3.204,1243 3.123,1244 4.149,1245 3.113,1246 0.116,1247 0.086,1248 0.171,1249 0.105,1250 0.081,1251 4.651,1252 0.115,1253 3.456,1254 0.026,1255 6.833,1256 0.284,1257 4.214,1258 0.079,1259 3.235,1260 4.582,1261 1.058,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.149,1267 2.158,1268 1.437,1269 2.159,1270 1.94,1271 1.918,1272 2.034,1273 2.016,1274 1.364,1275 2.023,1276 1.77,1277 1.712,1278 2.013,1279 1.948,1280 1.158,1281 1.971,1282 1.75,1283 1.706,1284 1.925,1285 1.863,1286 1.152,1287 1.892,1288 1.662,1289 1.621,1290 1.817,1291 1.833,1292 1.062,1293 1.832,1294 1.502,1295 1.429,1296 1.743,1297 1.717,1298 0.828,1299 1.729,1300 1.321,1301 1.266,1302 1.518,1303 1.558,1304 0.758,1305 1.552,1306 1.235,1307 1.184,1308 1.459,1309 1.41,1310 0.683,1311 1.431,1312 4.394,1314 5.694,1315 2.398,1316 7.192,1317 4.727,1318 8.795,1319 6.823,1320 10.46,1323 6.231,1328 10.532,1329 6.722,1340 43.53,1341 99.816,1342 251.914,1343 326.817,1344 377.488,1345 391.488,1346 397.488,1347 57.981,1348 8.367,1349 69.81,1350 69.81,1351 29,1352 12.786,1353 4.585,1354 3.755,1355 55.206,1356 228,1357 188,1358 0.114,1359 268.879,1360 461.12,1361 647.824,1362 73098,1363 1.4,1364 24.744,1365 0.687,1366 0.593,1367 25.244,1368 21.334,1369 17.687,1370 0.442,1371 0.336,1372 13.001,1373 17.04,1374 12.725,1375 10.538,1376 17.975,1377 13.436,1378 15.377,1379 0.285,1380 0.185,1381 15.785,1382 9.972,1383 12.973,1384 0.18,1385 0.1,1386 13.235,1387 7.2,1388 11.023,1389 0.115,1390 0.055,1391 11.258,1392 5.252,1393 9.125,1394 0.075,1395 0.031,1396 9.356,1397 3.789,1398 0.191,1399 111.643,1400 0.19,1401 34.317,1402 0.281,1403 188,1404 448.583,1405 212.95,1406 476.477,1407 656.61,1408 448,1409 220,1410 469.668,1411 239.246,1412 489.066,1413 717.45,1414 465,1415 7.745}
{0 CHEMBL224335,1 1.45,2 16.114,3 6.75,4 45.556,5 143.95,6 7.193,7 0.538,8 4.296,9 4.426,10 3.838,11 3.888,12 5.273,13 3.837,14 4.867,15 5.05,16 4.197,17 4.314,18 5.797,19 4.225,20 5.176,21 5.42,22 4.248,23 4.44,24 6.033,25 4.319,26 5.168,27 5.412,28 4.176,29 4.395,30 6.047,31 4.267,32 5.149,33 5.405,34 4.074,35 4.363,36 5.965,37 4.216,38 5.157,39 5.418,40 4.07,41 4.339,42 6.004,43 4.175,44 5.135,45 5.408,46 3.943,47 4.277,48 5.937,49 4.089,50 5.031,51 5.307,52 3.788,53 4.152,54 5.839,55 3.954,56 0.062,57 0.973,58 14.796,59 6.394,60 7.807,61 8.886,62 0.187,63 1.624,64 28.254,65 11.438,66 21.454,67 16.134,68 0.327,69 2.047,70 43.112,71 15.25,72 40.358,73 21.716,74 0.443,75 2.043,76 42.377,77 14.335,78 48.791,79 20.612,80 0.327,81 1.968,82 40.639,83 14.708,84 38.662,85 21.091,86 0.448,87 1.909,88 42.443,89 15.495,90 48.341,91 21.92,92 0.344,93 1.785,94 44.693,95 15.609,96 47.29,97 21.843,98 0.408,99 1.58,100 43.105,101 14.06,102 50.225,103 19.634,104 5,105 53,106 0.227,107 0.552,108 0.73,109 0.861,110 0.894,111 0.903,112 3.588,113 1.018,114 -5.07,115 -4.97,116 -4.65,121 42.6,123 9,127 2,144 7,145 4,146 2,148 2,153 1,154 1,160 1,176 15,180 5,183 1,185 8,187 18,192 4,197 8,200 12,206 5,209 1,211 9,214 14,219 2,224 2,227 15,232 3,235 1,236 2,237 2,239 18,244 3,249 2,251 13,256 2,259 1,261 5,264 10,274 4,277 6,281 2312,282 24.258,283 24.258,284 24.258,285 24.258,286 24.258,287 21.634,288 21.925,289 14.736,290 24.597,291 19.317,292 19.317,293 19.317,294 19.317,295 19.317,296 15.208,297 19.791,298 7.063,299 19.898,300 4.637,301 2.561,302 1.425,303 0.588,304 0.382,305 0.324,306 4.301,308 1,312 1,313 1258,314 4.062,317 88.326,318 371.045,321 163.844,322 301.208,325 2.269,326 24.422,329 1,330 0.67,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.83,337 73.333,338 564,339 4.651,340 3.58,341 6.833,342 4.214,343 3.235,344 4.582,345 1.907,346 11.364,347 3.165,348 4.524,349 3.373,350 6.526,351 4.049,352 3.062,353 4.473,354 0.4,355 10.265,356 3.022,357 3.99,358 3.127,359 6.004,360 3.58,361 2.61,362 3.534,363 0.149,364 8.477,365 2.532,366 3.668,367 2.943,368 5.427,369 3.389,370 2.383,371 2.961,373 6.886,374 2.385,375 3.584,376 2.562,377 5.173,378 3.192,379 2.252,380 2.872,382 6.283,383 2.103,384 3.384,385 2.272,386 4.979,387 2.982,388 1.995,389 2.706,391 5.765,392 1.97,393 3.365,394 2.192,395 4.899,396 2.885,397 1.981,398 2.699,400 5.573,401 1.772,402 3.046,403 1.905,404 4.183,405 2.772,406 1.781,407 2.318,409 3.772,410 1.702,411 2.835,412 1.669,413 4.121,414 2.518,415 1.546,416 1.851,418 3.699,419 1.501,420 2.663,421 1.546,422 3.971,423 2.438,424 1.453,425 1.726,427 3.392,428 1.424,429 2.648,430 1.437,431 3.761,432 2.321,433 1.347,434 1.691,436 3.169,437 1.308,438 2.491,439 1.43,440 3.599,441 2.249,442 1.256,443 1.49,445 2.895,446 1.245,447 2.375,448 1.3,449 3.582,450 2.187,451 1.193,452 1.367,454 2.778,455 1.185,456 2.16,457 1.172,458 3.37,459 1.911,460 0.944,461 1.056,463 2.195,464 0.905,465 2.024,466 1,467 3.185,468 1.735,469 0.762,470 0.96,472 1.735,473 0.737,474 17.148,475 0.49,476 0.657,477 0.019,478 42,479 1.2,480 20,481 0.571,482 22,483 0.629,484 35.11,485 1.003,486 37.452,487 0.551,488 28.902,489 0.826,490 7.572,491 0.216,492 9.615,493 0.275,494 0.061,496 0.292,501 0.758,502 1.203,503 0.735,504 0.973,505 0.559,506 0.941,507 0.688,508 1.222,509 0.808,510 1.057,511 0.541,512 1.042,513 1.023,514 1.047,515 0.892,516 0.932,517 0.975,518 0.925,519 1.178,520 1.037,521 0.956,522 0.979,523 1.144,524 1.017,525 1.01,526 1.022,527 0.875,528 0.982,529 0.953,530 1.025,531 0.851,532 0.964,533 0.868,534 1.017,535 1.074,536 1.042,537 1.095,538 0.988,539 1.072,540 1.042,541 1.234,542 1.041,543 1.206,544 0.947,545 1.301,546 1.071,547 1.289,548 1.054,549 5,550 0.135,551 3.556,552 2.167,553 1.653,554 0.778,555 0.675,556 0.315,557 0.203,558 0.127,559 23640,560 54166,561 2.158,562 48.5,563 10,564 11,565 1,567 3,568 4,569 4,572 1.758,573 2.079,574 3.865,575 0.735,582 98.601,583 1.45,584 3.527,585 4.663,586 5.499,587 5.705,588 5.764,589 3.214,590 4.958,591 5.108,592 4.132,593 2458.37,594 8.909,595 43040.1,600 413.947,601 1.15,602 5.086,603 0.128,604 0.005,605 0.067,606 0.04,607 0.034,608 0.018,609 0.017,610 0.009,611 0.007,612 0.005,613 0.331,614 0.17,615 0.75,616 0.383,617 196.199,618 -0.04,619 -0.011,620 0.03,621 0.04,622 0.011,623 0.05,624 0.062,625 -0.115,626 0.004,627 -0.062,628 0.085,629 -0.054,630 -0.053,631 -0.031,632 0.03,633 0.039,634 -0.037,635 0.051,636 -0.08,637 0.011,638 -0.069,639 -0.039,640 -0.085,641 -0.067,642 -0.091,643 -0.01,644 -0.041,645 -0.031,646 -0.053,647 -0.057,648 0.123,649 0.001,650 0.02,651 -0.046,652 0.035,653 -0.061,654 -0.056,655 -0.073,656 -0.028,657 -0.045,658 -0.047,659 -0.044,660 -0.049,661 -0.042,662 -0.109,663 -0.06,664 -0.059,665 -0.056,666 1.54,667 5.284,668 0.657,669 40.173,670 0.99,671 1.123,672 3.839,673 14.738,674 0.673,675 3.689,676 3.989,677 4.277,678 4.564,679 4.804,680 4.875,681 4.984,682 5.081,683 5.056,684 4.949,685 9.621,686 0.625,687 489.11,688 3.689,689 5.22,690 6.071,691 6.944,692 7.816,693 8.7,694 9.581,695 10.471,696 11.359,697 12.253,698 5.9,703 1,705 1,706 1,708 1,714 4,715 8,716 1,717 1,720 5,722 21,734 1,740 1,741 68,743 22,744 2,745 39,747 72,748 29,749 17,750 5,751 7,756 5,757 9,758 1,767 4,770 9,772 18,773 11,777 1,782 1,786 1,793 33,794 4,795 3,796 6,797 1,802 4,808 0.4,809 1,822 1,824 1,828 1,829 4,832 1,833 2,843 1,859 2,865 1,868 35,876 11,877 2,892 1,893 1.5,896 1,901 16.833,902 11.926,903 7.75,904 4.601,907 4.127,908 1.495,909 1.02,910 7.901,911 12.466,912 3.942,913 4.551,914 5.177,915 5.808,916 6.368,917 6.699,918 7.062,919 7.414,920 7.512,921 7.409,922 1,923 54,924 13.005,926 5.529,927 0.026,929 7.522,931 25.73,933 21.816,936 2.022,937 70.778,941 353.133,942 131.927,943 69.593,944 39.149,945 25.145,948 131.927,949 417.427,950 69.593,952 45.033,953 75.381,954 64.646,955 39.461,956 13.915,957 341.362,958 39.149,959 353.133,960 201.52,961 25.145,962 39.149,964 306.049,965 72.229,968 66.719,969 100.004,970 73.945,972 353.133,973 94.737,974 171.076,977 353.133,978 56.546,979 75.381,980 52.807,981 81.079,982 353.133,983 94.737,984 171.076,986 0.57,987 0.332,988 0.188,989 0.106,990 25,991 10,992 0.139,993 10,994 3,995 1.261,996 4.856,997 316.654,998 0.261,999 23,1000 179.525,1005 24.15,1006 11.451,1007 5.818,1008 4.48,1009 77.952,1010 16.258,1011 4.902,1012 3.277,1015 5.787,1017 52.807,1018 618.947,1019 50.5,1024 12.284,1028 0.127,1031 67.312,1032 76.375,1034 0.238,1035 0.579,1036 0.766,1037 0.903,1038 0.937,1039 0.947,1040 5.166,1041 1.781,1042 6.028,1043 5.573,1044 4.673,1045 5.239,1046 1.997,1047 6.825,1048 4.617,1049 6.358,1050 1.546,1051 7.569,1052 3.772,1053 4.111,1054 5.085,1055 1.593,1056 7.711,1057 4.016,1058 7.664,1059 1.453,1060 9.217,1061 3.699,1062 6.236,1063 7.506,1064 2.907,1065 10.857,1066 6.14,1067 9.013,1068 1.347,1069 10.933,1070 3.392,1071 6.567,1072 8.26,1073 3.032,1074 12.65,1075 6.444,1076 10.401,1077 1.256,1078 12.695,1079 3.169,1080 8.107,1081 10.133,1082 4.038,1083 15.3,1084 7.977,1085 11.818,1086 1.193,1087 14.489,1088 2.895,1089 8.874,1090 11.303,1091 4.409,1092 17.455,1093 8.724,1094 13.257,1095 0.944,1096 16.307,1097 2.778,1098 10.173,1099 12.961,1100 5.25,1101 19.943,1102 10.011,1103 3.235,1104 0.762,1105 18.143,1106 2.195,1107 11.15,1108 14.321,1109 5.75,1110 22.244,1111 10.969,1112 3.062,1113 11.364,1114 19.993,1115 1.735,1116 12.353,1117 15.891,1118 6.501,1119 24.678,1120 12.157,1121 2.61,1122 10.265,1123 21.853,1124 4.582,1125 13.427,1126 17.336,1127 7.068,1128 27.04,1129 13.212,1130 2.383,1131 8.477,1132 23.722,1133 4.473,1134 14.595,1135 18.87,1136 7.771,1137 29.457,1138 14.363,1139 2.252,1140 6.886,1141 25.597,1142 3.534,1143 15.714,1144 20.352,1145 8.374,1146 31.846,1147 15.461,1148 1.995,1149 6.283,1150 27.477,1151 2.961,1152 16.871,1153 21.872,1154 9.051,1155 34.259,1156 16.599,1157 1.981,1158 5.765,1159 29.363,1160 2.872,1161 18.009,1162 23.371,1163 9.674,1164 36.662,1165 17.718,1166 21597,1167 32863,1168 26.929,1169 45.756,1170 57.438,1171 58.893,1172 58.612,1173 57.53,1174 57.329,1175 74.608,1176 4.912,1177 160.402,1178 55.579,1179 5.618,1180 5.58,1181 6.695,1182 5.255,1183 5.235,1184 7.582,1185 3.306,1186 18.902,1187 5.165,1188 11.654,1189 1.473,1190 1.51,1191 1.503,1192 1.475,1193 1.47,1194 1.913,1195 0.126,1196 4.113,1197 1.425,1198 4.141,1199 4.174,1200 4.131,1201 4.063,1202 7.429,1203 4.067,1204 4.099,1205 4.129,1206 4.075,1207 4.027,1208 5.04,1209 4.031,1210 3.766,1211 3.83,1212 3.778,1213 3.662,1214 4.966,1215 3.648,1216 3.735,1217 3.78,1218 3.636,1219 3.606,1220 4.685,1221 3.598,1222 3.619,1223 3.675,1224 3.491,1225 3.471,1226 4.311,1227 3.467,1228 3.44,1229 3.51,1230 3.398,1231 3.279,1232 4.273,1233 3.28,1234 3.34,1235 3.404,1236 3.299,1237 3.189,1238 4.172,1239 3.188,1240 3.218,1241 3.281,1242 3.148,1243 3.07,1244 4.125,1245 3.059,1246 0.119,1247 0.092,1248 0.175,1249 0.108,1250 0.083,1251 4.651,1252 0.117,1253 3.58,1254 0.049,1255 6.833,1256 0.291,1257 4.214,1258 0.081,1259 3.235,1260 4.582,1261 1.907,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.149,1267 2.158,1268 1.436,1269 2.159,1270 1.941,1271 1.918,1272 2.042,1273 2.02,1274 1.334,1275 2.028,1276 1.753,1277 1.71,1278 1.992,1279 1.942,1280 1.241,1281 1.959,1282 1.75,1283 1.69,1284 1.924,1285 1.864,1286 1.147,1287 1.892,1288 1.666,1289 1.612,1290 1.862,1291 1.844,1292 1.048,1293 1.855,1294 1.45,1295 1.382,1296 1.693,1297 1.691,1298 0.95,1299 1.693,1300 1.316,1301 1.259,1302 1.524,1303 1.543,1304 0.754,1305 1.548,1306 1.208,1307 1.147,1308 1.459,1309 1.383,1310 0.619,1311 1.407,1312 4.369,1314 5.673,1315 2.398,1316 7.177,1317 4.727,1318 8.784,1319 6.823,1320 10.453,1323 6.229,1328 10.64,1329 6.794,1340 42.53,1341 98.601,1342 239.824,1343 317.077,1344 373.947,1345 387.947,1346 391.947,1347 57.501,1348 8.339,1349 69.81,1350 69.81,1351 29,1352 12.781,1353 4.524,1354 3.644,1355 52.862,1356 210,1357 176,1358 0.119,1359 262.214,1360 446.46,1361 631.561,1362 68893,1363 1.5,1364 24.037,1365 0.687,1366 0.597,1367 24.537,1368 20.886,1369 17.187,1370 0.441,1371 0.339,1372 12.797,1373 16.54,1374 12.525,1375 10.338,1376 17.475,1377 13.232,1378 15.024,1379 0.283,1380 0.187,1381 15.432,1382 9.914,1383 12.723,1384 0.179,1385 0.102,1386 12.985,1387 7.234,1388 10.846,1389 0.114,1390 0.056,1391 11.081,1392 5.31,1393 9,1394 0.074,1395 0.032,1396 9.231,1397 3.861,1398 0.198,1399 108.643,1400 0.193,1401 33.378,1402 0.296,1403 184,1404 434.583,1405 208.95,1406 461.208,1407 634.95,1408 434,1409 216,1410 452.668,1411 235.246,1412 470.651,1413 690.92,1414 448,1415 8.398}
{0 CHEMBL224336,1 1.362,2 17.081,3 5.25,4 27.563,5 152.784,6 6.549,7 0.512,8 4.398,9 4.539,10 3.86,11 3.946,12 5.349,13 3.895,14 4.976,15 5.179,16 4.187,17 4.363,18 5.854,19 4.275,20 5.267,21 5.518,22 4.239,23 4.505,24 6.083,25 4.382,26 5.315,27 5.579,28 4.164,29 4.493,30 6.123,31 4.351,32 5.297,33 5.566,34 4.077,35 4.462,36 6.062,37 4.301,38 5.317,39 5.601,40 4.014,41 4.419,42 6.101,43 4.244,44 5.264,45 5.56,46 3.912,47 4.333,48 6.006,49 4.151,50 5.162,51 5.452,52 3.827,53 4.228,54 5.943,55 4.058,56 0.087,57 1.122,58 17.869,59 7.126,60 10.585,61 10.322,62 0.27,63 1.847,64 32.704,65 12.078,66 24.301,67 17.944,68 0.346,69 2.278,70 44.399,71 15.829,72 38.353,73 23.703,74 0.505,75 2.339,76 47.087,77 16.18,78 48.627,79 24.269,80 0.349,81 2.245,82 45.824,83 16.613,84 40.709,85 24.787,86 0.522,87 2.212,88 47.224,89 16.685,90 53.785,91 24.938,92 0.345,93 2.056,94 44.619,95 15.961,96 44.963,97 23.899,98 0.457,99 1.866,100 40.804,101 13.822,102 50.296,103 20.635,104 5,105 55,106 0.209,107 0.523,108 0.715,109 0.836,110 0.877,111 0.893,112 3.641,113 1.012,114 -4.22,115 -4.16,116 -3.93,121 40.8,123 8,126 1,127 4,144 8,145 4,146 1,148 2,153 1,154 1,160 1,176 15,180 7,183 1,185 8,187 16,192 5,197 6,200 12,206 4,209 3,211 7,214 14,219 1,224 3,227 14,231 1,232 5,235 1,236 1,237 3,239 12,244 5,249 2,251 5,255 1,256 7,260 1,261 2,264 4,269 3,277 5,281 2816,282 25.673,283 25.673,284 25.673,285 25.673,286 25.673,287 23.074,288 26.84,289 15.658,290 25.99,291 20.301,292 20.301,293 20.301,294 20.301,295 20.301,296 16.261,297 31.435,298 7.47,299 20.79,300 4.886,301 2.838,302 1.589,303 0.799,304 0.536,305 0.431,306 4.353,312 1,313 1407,314 4.472,317 98.713,318 413.383,321 182.579,322 336.334,325 2.665,326 22.407,329 1,330 0.67,331 0.83,332 0.8,333 0.5,334 0.83,335 0.5,336 0.73,337 77.5,338 632,339 4.64,340 3.58,341 6.829,342 4.207,343 3.226,344 4.564,345 1.907,346 11.348,347 3.162,348 4.524,349 3.361,350 6.526,351 4.049,352 3.062,353 4.473,354 0.8,355 10.265,356 3.022,357 3.914,358 3.127,359 5.982,360 3.524,361 2.532,362 3.437,363 0.4,364 8.37,365 2.512,366 3.669,367 2.71,368 5.382,369 3.396,370 2.412,371 2.893,372 0.149,373 6.712,374 2.387,375 3.523,376 2.667,377 5.173,378 3.294,379 2.348,380 2.872,382 6.287,383 2.194,384 3.39,385 2.351,386 5.038,387 3.124,388 2.172,389 2.706,391 6.088,392 2.066,393 3.367,394 2.192,395 4.975,396 2.977,397 1.986,398 2.376,400 5.76,401 1.965,402 3.046,403 1.771,404 4.183,405 2.552,406 1.576,407 2.318,409 3.762,410 1.536,411 2.939,412 1.677,413 4.116,414 2.518,415 1.546,416 2.142,418 3.479,419 1.501,420 2.662,421 1.546,422 3.95,423 2.496,424 1.505,425 1.725,427 3.329,428 1.489,429 2.649,430 1.501,431 3.666,432 2.345,433 1.349,434 1.686,436 3.152,437 1.343,438 2.542,439 1.426,440 3.6,441 2.315,442 1.347,443 1.544,445 2.902,446 1.299,447 2.486,448 1.35,449 3.594,450 2.242,451 1.247,452 1.485,454 2.902,455 1.24,456 2.376,457 1.3,458 3.553,459 2.181,460 1.187,461 1.367,463 2.749,464 1.178,465 2.155,466 1.036,467 3.354,468 1.833,469 0.861,470 1.027,472 2.042,473 0.835,474 17.833,475 0.482,476 0.657,477 0.018,478 43.5,479 1.176,480 20,481 0.541,482 23.5,483 0.635,484 37.388,485 1.01,486 40.367,487 0.531,488 31.273,489 0.845,490 8.121,491 0.219,492 10.066,493 0.272,494 0.047,496 0.275,501 0.875,502 1.335,503 0.927,504 1.113,505 0.606,506 1.034,507 0.944,508 1.166,509 1.011,510 1.054,511 0.607,512 1.033,513 1.107,514 1.088,515 0.99,516 0.997,517 1.016,518 0.983,519 1.258,520 0.942,521 1.098,522 0.969,523 1.186,524 1.008,525 1.023,526 1.085,527 1.062,528 1.085,529 0.958,530 1.077,531 1.019,532 0.957,533 1.034,534 1.003,535 1.127,536 1.018,537 0.972,538 1.007,539 0.948,540 1.002,541 0.996,542 0.978,543 1.431,544 0.875,545 1.049,546 0.903,547 1.654,548 0.942,549 5,550 0.14,551 3.778,552 2.229,553 1.622,554 0.639,555 0.594,556 0.331,557 0.302,558 0.2,559 28338,560 57540,561 2.15,562 51.3,563 8,564 19,565 1,567 3,568 4,570 4,572 1.771,573 2.075,574 3.947,575 0.702,582 103.522,583 1.362,584 3.41,585 4.659,586 5.449,587 5.712,588 5.817,589 3.275,590 4.757,591 5.188,592 4.248,593 2829.05,594 9.066,595 52684.2,600 474.842,601 1.12,602 5.168,603 0.122,604 0.005,605 0.069,606 0.04,607 0.032,608 0.014,609 0.014,610 0.009,611 0.009,612 0.006,613 0.32,614 0.33,615 0.63,616 0.368,617 212.194,618 -0.015,619 -0.095,620 0.058,621 0.001,622 0.019,623 0.03,624 0.011,625 -0.022,626 -0.018,627 -0.015,628 0.06,629 -0.017,630 -0.065,631 -0.052,632 0.005,633 -0.001,634 -0.042,635 0.007,636 -0.073,637 0.088,638 -0.09,639 -0.005,640 -0.094,641 -0.043,642 -0.062,643 -0.095,644 -0.078,645 -0.097,646 -0.028,647 -0.089,648 0.077,649 0.003,650 -0.039,651 -0.038,652 0.023,653 -0.047,654 0.011,655 -0.083,656 0.036,657 -0.035,658 0.051,659 -0.002,660 -0.079,661 0.072,662 -0.034,663 0.039,664 -0.113,665 0.008,666 1.537,667 5.312,668 0.622,669 45.733,670 0.985,671 1.128,672 2.989,673 8.936,674 0.65,675 3.738,676 4.025,677 4.304,678 4.575,679 4.796,680 4.836,681 4.956,682 5.037,683 5.024,684 4.913,685 10.366,686 0.602,687 497.75,688 3.738,689 5.263,690 6.107,691 6.973,692 7.837,693 8.713,694 9.588,695 10.47,696 11.351,697 12.237,698 6.6,701 1,703 1,705 1,706 1,708 1,714 4,715 9,716 1,717 1,720 4,722 21,734 1,741 76,743 22,744 2,745 41,747 80,748 31,749 17,750 4,751 8,756 5,757 9,767 4,770 8,772 18,773 13,777 1,782 1,786 1,793 39,794 5,795 3,796 6,802 5,808 0.4,809 1,822 1,824 1,828 1,829 4,832 1,833 2,843 1,855 1,859 2,864 1,868 37,876 12,877 2,881 1,893 1.3,896 1,901 17.833,902 13.567,903 8.25,904 5.021,907 4.056,908 1.486,909 1.007,910 8.754,911 12.401,912 3.98,913 4.562,914 5.174,915 5.789,916 6.331,917 6.626,918 6.996,919 7.325,920 7.422,921 7.295,922 0.909,923 56,924 13.758,926 5.769,927 0.026,929 7.459,931 27.4,933 22.993,936 1.959,937 72.5,941 423.76,942 147.976,943 72.717,945 25.145,948 147.976,949 448.905,950 72.717,951 8.396,952 46.71,953 84.857,954 64.646,955 39.085,956 13.915,957 411.989,959 423.76,960 220.693,961 25.145,964 376.675,965 72.229,968 71.521,969 114.376,970 34.796,972 423.76,973 97.862,974 147.976,977 423.76,978 54.723,979 96.378,980 52.807,981 41.93,982 423.76,983 97.862,984 147.976,986 0.567,987 0.33,988 0.185,989 0.102,990 25,991 10,992 0.15,993 12,994 3,995 1.261,996 5.067,997 335.019,998 0.261,999 23,1000 192.75,1005 25.753,1006 12.576,1007 6.522,1008 4.691,1009 81.076,1010 18.78,1011 4.944,1012 3.283,1015 5.226,1017 52.807,1018 669.598,1019 52.5,1024 12.312,1028 0.13,1031 74.858,1032 85.759,1034 0.218,1035 0.546,1036 0.746,1037 0.872,1038 0.914,1039 0.931,1040 5.2,1041 1.576,1042 6.057,1043 5.76,1044 4.71,1045 5.25,1046 2.12,1047 6.841,1048 4.664,1049 6.377,1050 1.546,1051 7.589,1052 3.762,1053 4.111,1054 5.037,1055 1.668,1056 7.711,1057 4.051,1058 7.671,1059 1.505,1060 9.23,1061 3.479,1062 6.26,1063 7.486,1064 2.932,1065 10.852,1066 6.174,1067 9.009,1068 1.349,1069 10.94,1070 3.329,1071 6.567,1072 8.216,1073 3.047,1074 12.645,1075 6.469,1076 10.389,1077 1.347,1078 12.698,1079 3.152,1080 8.117,1081 10.102,1082 4.042,1083 15.288,1084 7.998,1085 11.8,1086 1.247,1087 14.49,1088 2.902,1089 8.868,1090 11.265,1091 4.412,1092 17.444,1093 8.737,1094 13.234,1095 1.187,1096 16.306,1097 2.902,1098 10.17,1099 12.928,1100 5.251,1101 19.929,1102 10.021,1103 3.226,1104 0.861,1105 18.14,1106 2.749,1107 11.137,1108 14.286,1109 5.75,1110 22.23,1111 10.973,1112 3.062,1113 11.348,1114 19.988,1115 2.042,1116 12.339,1117 15.858,1118 6.501,1119 24.663,1120 12.159,1121 2.532,1122 10.265,1123 21.847,1124 4.564,1125 13.407,1126 17.301,1127 7.068,1128 27.024,1129 13.21,1130 2.412,1131 8.37,1132 23.714,1133 4.473,1134 14.573,1135 18.835,1136 7.771,1137 29.441,1138 14.358,1139 2.348,1140 6.712,1141 25.589,1142 3.437,1143 15.687,1144 20.316,1145 8.374,1146 31.829,1147 15.454,1148 2.172,1149 6.287,1150 27.469,1151 2.893,1152 16.842,1153 21.835,1154 9.051,1155 34.241,1156 16.591,1157 1.986,1158 6.088,1159 29.354,1160 2.872,1161 17.978,1162 23.332,1163 9.674,1164 36.643,1165 17.708,1166 25899,1167 37056,1168 28.315,1169 49.427,1170 60.22,1171 61.358,1172 61.336,1173 60.112,1174 60.104,1175 77.222,1176 6.512,1177 166,1178 58.733,1179 5.613,1180 5.58,1181 6.537,1182 5.249,1183 5.226,1184 7.564,1185 3.306,1186 18.879,1187 5.162,1188 11.811,1189 1.469,1190 1.497,1191 1.496,1192 1.466,1193 1.466,1194 1.883,1195 0.159,1196 4.049,1197 1.433,1198 4.141,1199 4.176,1200 4.095,1201 4.061,1202 7.429,1203 4.065,1204 4.098,1205 4.129,1206 4.058,1207 4.024,1208 4.986,1209 4.028,1210 3.79,1211 3.863,1212 3.663,1213 3.651,1214 4.955,1215 3.638,1216 3.732,1217 3.781,1218 3.616,1219 3.6,1220 4.415,1221 3.602,1222 3.662,1223 3.723,1224 3.545,1225 3.489,1226 4.343,1227 3.49,1228 3.517,1229 3.587,1230 3.365,1231 3.374,1232 4.31,1233 3.361,1234 3.394,1235 3.464,1236 3.28,1237 3.211,1238 4.198,1239 3.221,1240 3.293,1241 3.37,1242 3.142,1243 3.145,1244 4.074,1245 3.136,1246 0.113,1247 0.087,1248 0.167,1249 0.103,1250 0.079,1251 4.64,1252 0.111,1253 3.58,1254 0.047,1255 6.829,1256 0.277,1257 4.207,1258 0.077,1259 3.226,1260 4.564,1261 1.907,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.158,1267 2.163,1268 1.435,1269 2.163,1270 1.941,1271 1.918,1272 2.042,1273 2.02,1274 1.291,1275 2.028,1276 1.754,1277 1.709,1278 1.979,1279 1.965,1280 1.242,1281 1.974,1282 1.748,1283 1.681,1284 1.949,1285 1.876,1286 1.169,1287 1.902,1288 1.677,1289 1.62,1290 1.879,1291 1.871,1292 1.122,1293 1.878,1294 1.559,1295 1.488,1296 1.814,1297 1.762,1298 1.04,1299 1.782,1300 1.374,1301 1.308,1302 1.624,1303 1.634,1304 0.774,1305 1.631,1306 1.282,1307 1.219,1308 1.521,1309 1.51,1310 0.743,1311 1.527,1312 4.419,1314 5.714,1315 2.398,1316 7.207,1317 4.727,1318 8.802,1319 6.823,1320 10.457,1322 2.169,1328 11.75,1329 6.853,1333 2.361,1340 45.777,1341 103.522,1342 259.176,1343 354.088,1344 414.088,1345 434.088,1346 442.088,1347 60.35,1348 8.344,1349 73.05,1350 73.05,1351 29,1352 12.77,1353 4.524,1354 3.644,1355 57.49,1356 238,1357 200,1358 0.112,1359 279.86,1360 476.85,1361 674.618,1362 72473,1364 25.451,1365 0.688,1366 0.594,1367 25.451,1368 21.984,1369 18.187,1370 0.444,1371 0.337,1372 13.711,1373 17.735,1374 13.4,1375 11.107,1376 18.187,1377 13.834,1378 15.719,1379 0.286,1380 0.187,1381 15.719,1382 10.283,1383 13.281,1384 0.182,1385 0.103,1386 13.281,1387 7.523,1388 11.182,1389 0.116,1390 0.057,1391 11.182,1392 5.5,1393 9.193,1394 0.077,1395 0.033,1396 9.193,1397 3.903,1398 0.189,1399 112.165,1400 0.188,1401 35.128,1402 0.277,1403 192,1404 434.024,1405 203.179,1406 430.999,1407 604.9,1408 408,1409 224,1410 452.566,1411 235.653,1412 462.769,1413 676.73,1414 439,1415 6.833}
{0 CHEMBL224433,1 1.327,2 16.625,3 6.681,4 44.638,5 129.223,6 6.819,7 0.514,8 4.209,9 4.322,10 3.708,11 3.783,12 5.221,13 3.738,14 4.764,15 4.94,16 4.017,17 4.159,18 5.711,19 4.089,20 5.04,21 5.258,22 4.083,23 4.282,24 5.954,25 4.182,26 5.093,27 5.343,28 3.984,29 4.226,30 6.025,31 4.102,32 4.994,33 5.245,34 3.814,35 4.168,36 5.833,37 4.023,38 4.97,39 5.236,40 3.692,41 4.114,42 5.753,43 3.941,44 4.903,45 5.179,46 3.561,47 4.016,48 5.607,49 3.834,50 4.799,51 5.069,52 3.477,53 3.913,54 5.543,55 3.74,56 0.042,57 0.812,58 13.953,59 6.4,60 8.155,61 8.434,62 0.179,63 1.364,64 25.822,65 10.456,66 20.305,67 14.066,68 0.271,69 1.694,70 35.219,71 13.912,72 36.3,73 18.794,74 0.565,75 1.744,76 38.31,77 14.222,78 61.799,79 19.624,80 0.308,81 1.607,82 34.139,83 13.244,84 41.738,85 18.328,86 0.367,87 1.557,88 33.407,89 13.211,90 43.026,91 18.544,92 0.248,93 1.444,94 31.305,95 12.378,96 29.474,97 17.395,98 0.326,99 1.288,100 28.458,101 10.978,102 32.348,103 15.266,104 5,105 46,106 0.212,107 0.486,108 0.669,109 0.82,110 0.884,111 0.884,112 3.501,113 0.987,114 -5.45,115 -5.33,116 -4.98,121 44.4,123 5,126 1,127 3,144 12,145 3,146 3,159 1,176 16,180 11,187 17,192 10,200 10,205 2,206 11,214 10,219 4,227 12,231 1,232 5,239 13,244 3,251 11,255 1,256 3,264 12,269 2,277 11,281 1916,282 22.104,283 22.104,284 22.104,285 22.104,286 22.104,287 19.848,288 21.798,289 13.69,290 22.431,291 17.349,292 17.349,293 17.349,294 17.349,295 17.349,296 13.958,297 28.386,298 6.615,299 17.874,300 4.65,301 2.938,302 1.799,303 0.855,304 0.456,305 0.456,306 4.204,312 1,313 1164,314 3.937,318 381.547,322 283.281,325 2.484,326 23.271,329 0.75,330 0.83,331 0.83,332 0.8,333 0.5,334 0.83,335 0.5,336 0.72,337 67.5,338 532,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 0.916,346 11.061,347 3.18,348 4.048,349 2.995,350 6.011,351 3.613,352 2.642,353 3.676,354 0.86,355 8.529,356 2.563,357 3.927,358 2.943,359 5.484,360 3.597,361 2.625,362 3.455,363 0.86,364 7.392,365 2.559,366 3.617,367 2.82,368 5.407,369 3.232,370 2.271,371 2.964,372 0.172,373 6.913,374 2.172,375 3.309,376 2.495,377 5.124,378 3.118,379 2.166,380 2.504,382 6.04,383 2.055,384 3.294,385 2.367,386 4.819,387 2.956,388 2.016,389 2.364,391 5.518,392 1.875,393 2.908,394 1.87,395 4.125,396 2.795,397 1.808,398 2.082,400 3.693,401 1.777,402 2.877,403 1.672,404 3.862,405 2.463,406 1.476,407 1.975,409 3.384,410 1.455,411 2.79,412 1.566,413 3.715,414 2.427,415 1.435,416 1.822,418 3.101,419 1.42,420 2.714,421 1.474,422 3.606,423 2.316,424 1.339,425 1.803,427 3.059,428 1.304,429 2.5,430 1.37,431 3.51,432 2.243,433 1.256,434 1.5,436 2.822,437 1.236,438 2.465,439 1.298,440 3.45,441 2,442 1,443 1.437,445 2.136,446 1,447 2.377,448 1.047,449 3.247,450 1.91,451 0.914,452 1.268,454 2.093,455 0.902,456 1.894,457 1,458 3.082,459 1.768,460 0.78,461 0.863,463 1.725,464 0.765,465 1.43,466 0.539,467 2.911,468 1.224,469 0.273,470 0.289,472 0.607,473 0.258,474 15.4,475 0.481,476 0.554,477 0.017,478 40,479 1.25,480 20.5,481 0.641,482 19.5,483 0.609,484 27.621,485 0.863,486 34.4,487 0.546,488 28.213,489 0.882,490 7.717,491 0.241,492 7.987,493 0.25,494 0.054,496 0.253,501 0.757,502 1.225,503 0.857,504 1.121,505 0.596,506 1.018,507 1.09,508 1.066,509 0.994,510 1.043,511 0.675,512 1.002,513 1.159,514 1.074,515 0.961,516 1.045,517 0.841,518 0.99,519 1.075,520 0.924,521 0.93,522 0.903,523 1.043,524 0.898,525 1.065,526 0.972,527 1.025,528 0.975,529 1.176,530 0.99,531 0.739,532 0.97,533 0.988,534 1,535 0.581,536 1.018,537 0.808,538 0.975,539 0.971,540 1,541 0.539,542 1.004,543 1.018,544 0.878,545 1.021,546 0.926,547 0.938,548 0.969,549 4.5,550 0.115,551 2.444,552 1.813,553 1.622,554 0.583,555 0.422,556 0.208,557 0.156,558 0.102,559 18921,560 41701,561 2.12,562 49.2,563 6,564 21,569 4,572 1.732,573 2.043,574 3.966,575 -0.867,582 83.628,583 1.327,584 3.039,585 4.178,586 5.122,587 5.521,588 5.521,589 3.379,590 4.539,591 4.974,592 4.184,593 2075.06,594 8.628,595 34771.7,600 376.569,601 1.122,602 4.957,603 0.129,604 0.005,605 0.053,606 0.039,607 0.04,608 0.017,609 0.014,610 0.008,611 0.006,612 0.004,613 0.315,614 0.33,615 0.75,616 0.406,617 176.359,618 0.023,619 -0.104,620 0.065,621 -0.046,622 0.009,623 0.004,624 -0.061,625 0.021,626 -0.023,627 -0.035,628 0.032,629 -0.021,630 -0.021,631 -0.076,632 0.033,633 -0.056,634 0.077,635 -0.012,636 0.154,637 0.05,638 0.087,639 0.056,640 0.182,641 0.064,642 -0.075,643 0.01,644 -0.037,645 -0.002,646 -0.064,647 -0.012,648 0.085,649 -0.008,650 -0.013,651 -0.023,652 0.069,653 -0.027,654 -0.009,655 -0.027,656 0.003,657 -0.027,659 -0.012,660 -0.02,661 0.072,662 -0.027,663 0.041,664 -0.071,665 0.01,666 1.664,667 5.615,668 0.625,669 41.484,670 0.989,671 1.117,672 4.224,673 17.846,674 0.663,675 3.584,676 3.85,677 4.094,678 4.344,679 4.575,680 4.615,681 4.718,682 4.828,683 4.89,684 4.796,685 9.728,686 0.62,687 429.6,688 3.584,689 5.094,690 5.922,691 6.774,692 7.622,693 8.488,694 9.348,695 10.223,696 11.092,697 11.974,698 1.6,701 1,715 12,720 6,722 18,727 1,739 2,741 63,743 19,744 3,745 35,747 66,748 28,749 18,750 6,751 12,752 1,756 4,757 7,770 5,772 19,773 9,777 1,782 1,786 1,793 31,794 4,796 4,802 1,808 0.5,809 3,829 4,833 2,855 1,859 2,864 1,868 32,876 8,878 2,881 1,893 4.8,896 1,898 2,901 15.667,902 11.45,903 7.194,904 4.081,907 3.187,908 1.405,909 0.977,910 7.841,911 11.063,912 3.829,913 4.35,914 4.888,915 5.429,916 5.955,917 6.119,918 6.471,919 6.826,920 7.145,921 7.314,922 0.909,923 47,924 11.885,926 4.952,927 0.026,929 7.552,931 23.301,933 19.04,936 2.052,937 65.667,941 364.904,942 174.008,943 3.124,945 47.145,948 174.008,949 412.049,950 3.124,951 8.396,952 21.476,953 113.715,954 30.278,955 50.411,957 364.904,959 364.904,960 177.133,961 47.145,964 317.82,965 94.229,968 24.601,969 152.532,972 364.904,973 50.269,974 174.008,977 364.904,978 51.897,979 125.236,981 47.145,982 364.904,983 50.269,984 174.008,986 0.562,987 0.321,988 0.177,989 0.097,990 20,991 8,992 0.167,993 11,994 2,995 1.2,996 4.666,997 266.013,998 0.2,999 20,1000 156,1005 22.416,1006 11.194,1007 6.147,1009 50.269,1010 23.454,1015 4.502,1018 589.181,1019 45,1024 12.615,1028 0.003,1031 62.338,1032 70.355,1034 0.222,1035 0.508,1036 0.699,1037 0.857,1038 0.924,1039 0.924,1040 5.034,1041 1.476,1042 5.861,1043 3.693,1044 4.533,1045 5.037,1046 1.698,1047 6.613,1048 4.478,1049 6.19,1050 1.435,1051 7.373,1052 3.384,1053 3.892,1054 4.605,1055 0.325,1056 7.398,1057 3.806,1058 7.458,1059 1.339,1060 8.993,1061 3.101,1062 6.052,1063 7.131,1064 1.422,1065 10.541,1066 5.949,1067 8.765,1068 1.256,1069 10.682,1070 3.059,1071 6.293,1072 7.574,1073 0.393,1074 12.239,1075 6.177,1076 10.109,1077 1,1078 12.417,1079 2.822,1080 7.864,1081 9.535,1082 1.2,1083 14.891,1084 7.731,1085 11.482,1086 0.914,1087 14.187,1088 2.136,1089 8.558,1090 10.416,1091 0.384,1092 16.977,1093 8.423,1094 12.877,1095 0.78,1096 15.982,1097 2.093,1098 9.871,1099 12.113,1100 1.01,1101 19.467,1102 9.723,1103 3.215,1104 0.273,1105 17.796,1106 1.725,1107 10.801,1108 13.23,1109 0.351,1110 21.726,1111 10.653,1112 2.642,1113 11.061,1114 19.627,1115 0.607,1116 12.007,1117 14.792,1118 0.845,1119 24.158,1120 11.849,1121 2.625,1122 8.529,1123 21.47,1124 4.198,1125 13.055,1126 16.041,1127 0.312,1128 26.494,1129 12.895,1130 2.271,1131 7.392,1132 23.323,1133 3.676,1134 14.222,1135 17.533,1136 0.702,1137 28.907,1138 14.054,1139 2.166,1140 6.913,1141 25.185,1142 3.455,1143 15.327,1144 18.857,1145 0.273,1146 31.278,1147 15.154,1148 2.016,1149 6.04,1150 27.055,1151 2.964,1152 16.483,1153 20.313,1154 0.579,1155 33.684,1156 16.303,1157 1.808,1158 5.518,1159 28.931,1160 2.504,1161 17.616,1162 21.681,1163 0.236,1164 36.071,1165 17.43,1166 17666,1167 26533,1168 24.038,1169 41.79,1170 50.943,1171 52.137,1172 51.621,1173 50.501,1174 50.429,1175 64.396,1176 5.618,1177 136.143,1178 49.041,1179 5.516,1180 5.692,1181 6.664,1182 5.3,1183 5.215,1184 7.198,1185 1.776,1186 18.6,1187 5.18,1188 10.967,1189 1.456,1190 1.49,1191 1.475,1192 1.443,1193 1.441,1194 1.84,1195 0.161,1196 3.89,1197 1.401,1198 4.048,1199 4.056,1200 4.014,1201 3.965,1202 7.427,1203 3.974,1204 3.927,1205 3.966,1206 3.847,1207 3.856,1208 4.946,1209 3.849,1210 3.794,1211 3.838,1212 3.717,1213 3.713,1214 4.755,1215 3.71,1216 3.746,1217 3.787,1218 3.606,1219 3.638,1220 4.708,1221 3.621,1222 3.583,1223 3.655,1224 3.432,1225 3.407,1226 4.378,1227 3.402,1228 3.37,1229 3.443,1230 3.23,1231 3.177,1232 4.267,1233 3.176,1234 3.208,1235 3.229,1236 3.105,1237 3.054,1238 4.112,1239 3.065,1240 3.033,1241 3.106,1242 2.908,1243 2.865,1244 3.999,1245 2.848,1246 0.13,1247 0.105,1248 0.194,1249 0.12,1250 0.092,1251 4.553,1252 0.12,1253 3.692,1254 0.026,1255 6.774,1256 0.316,1257 4.203,1258 0.091,1259 3.215,1260 4.198,1261 0.916,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.065,1267 2.084,1268 1.392,1269 2.074,1270 1.917,1271 1.884,1272 2.055,1273 2.023,1274 1.209,1275 2.038,1276 1.792,1277 1.757,1278 2.015,1279 1.939,1280 1.164,1281 1.967,1282 1.756,1283 1.707,1284 1.891,1285 1.86,1286 1.104,1287 1.872,1288 1.575,1289 1.504,1290 1.83,1291 1.774,1292 0.976,1293 1.797,1294 1.358,1295 1.282,1296 1.662,1297 1.59,1298 0.855,1299 1.619,1300 1.148,1301 1.127,1302 1.44,1303 1.362,1304 0.667,1305 1.379,1306 1.044,1307 0.972,1308 1.358,1309 1.259,1310 0.501,1311 1.276,1312 4.263,1314 5.541,1316 7.022,1318 8.607,1320 10.255,1322 2.19,1328 8.696,1330 11.819,1333 2.389,1340 39.068,1341 83.628,1342 191.454,1343 263.21,1344 322.694,1345 347.814,1346 347.814,1347 56.155,1348 7.876,1349 42.68,1350 42.68,1351 24,1352 12.512,1353 4.322,1354 3.459,1355 52.709,1356 192,1357 172,1358 0.129,1359 239.291,1360 421.79,1361 575.631,1362 36691,1364 22.175,1365 0.693,1366 0.586,1367 22.175,1368 18.757,1369 15.704,1370 0.449,1371 0.329,1372 11.403,1373 15.275,1374 11.122,1375 9.28,1376 15.704,1377 11.514,1378 13.45,1379 0.292,1380 0.183,1381 13.45,1382 8.425,1383 11.094,1384 0.188,1385 0.098,1386 11.094,1387 5.798,1388 9.28,1389 0.122,1390 0.053,1391 9.28,1392 4.05,1393 7.457,1394 0.078,1395 0.029,1396 7.457,1397 2.754,1398 0.218,1399 97.22,1400 0.204,1401 31.425,1402 0.315,1403 162,1404 424.852,1405 173.603,1406 409.138,1407 564.42,1408 386,1409 186,1410 415.124,1411 198.63,1412 421.471,1413 615.65,1414 397,1415 5.55}
{0 CHEMBL224469,1 1.316,2 17.424,3 7.137,4 50.942,5 133.824,6 6.722,7 0.5,8 4.251,9 4.367,10 3.736,11 3.822,12 5.249,13 3.774,14 4.811,15 4.99,16 4.041,17 4.199,18 5.741,19 4.124,20 5.093,21 5.317,22 4.105,23 4.324,24 5.985,25 4.217,26 5.143,27 5.398,28 4.009,29 4.27,30 6.054,31 4.139,32 5.049,33 5.305,34 3.844,35 4.215,36 5.869,37 4.064,38 5.026,39 5.296,40 3.726,41 4.164,42 5.791,43 3.986,44 4.963,45 5.243,46 3.599,47 4.07,48 5.651,49 3.883,50 4.865,51 5.139,52 3.517,53 3.969,54 5.586,55 3.793,56 0.048,57 0.852,58 14.842,59 6.758,60 8.428,61 8.973,62 0.188,63 1.43,64 27.353,65 11.063,66 20.844,67 15.006,68 0.286,69 1.781,70 37.283,71 14.697,72 37.33,73 20.025,74 0.577,75 1.826,76 40.207,77 14.963,78 62.453,79 20.783,80 0.318,81 1.691,82 36.046,83 14.005,84 41.93,85 19.505,86 0.378,87 1.64,88 35.256,89 13.963,90 43.271,91 19.684,92 0.257,93 1.526,94 33.114,95 13.122,96 29.504,97 18.517,98 0.282,99 1.372,100 30.231,101 11.691,102 31.407,103 16.34,104 5,105 47,106 0.209,107 0.477,108 0.655,109 0.804,110 0.875,111 0.885,112 3.53,113 1.001,114 -5.65,115 -5.52,116 -5.15,121 43.9,123 6,126 1,127 3,144 12,145 3,146 3,159 1,176 17,180 11,187 18,192 10,200 11,205 2,206 11,214 11,219 4,227 13,231 1,232 5,239 13,244 5,251 11,256 3,264 12,268 1,269 2,277 14,281 2124,282 22.811,283 22.811,284 22.811,285 22.811,286 22.811,287 20.555,288 21.798,289 14.19,290 23.138,291 17.849,292 17.849,293 17.849,294 17.849,295 17.849,296 14.458,297 28.386,298 6.865,299 18.374,300 4.729,301 3.039,302 1.915,303 0.975,304 0.527,305 0.466,306 4.233,312 1,313 1256,314 4.062,318 402.011,322 298.841,325 2.628,326 23.406,329 0.75,330 0.83,331 0.83,332 1,333 0.5,334 0.83,335 0.5,336 0.75,337 69.5,338 575,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 0.916,346 11.061,347 3.18,348 4.048,349 2.995,350 6.011,351 3.613,352 2.642,353 3.676,354 0.86,355 8.529,356 2.563,357 3.927,358 2.943,359 5.484,360 3.597,361 2.625,362 3.455,363 0.86,364 7.392,365 2.559,366 3.617,367 2.82,368 5.407,369 3.232,370 2.271,371 2.964,372 0.172,373 6.913,374 2.172,375 3.309,376 2.495,377 5.124,378 3.118,379 2.166,380 2.504,382 6.04,383 2.056,384 3.294,385 2.367,386 4.819,387 2.957,388 2.016,389 2.364,391 5.518,392 1.882,393 2.91,394 1.892,395 4.125,396 2.834,397 1.846,398 2.082,400 3.755,401 1.812,402 2.889,403 1.694,404 3.888,405 2.52,406 1.535,407 1.977,409 3.384,410 1.51,411 2.813,412 1.599,413 3.717,414 2.43,415 1.439,416 1.85,418 3.172,419 1.422,420 2.714,421 1.502,422 3.632,423 2.378,424 1.39,425 1.809,427 3.07,428 1.37,429 2.532,430 1.371,431 3.54,432 2.243,433 1.257,434 1.529,436 2.951,437 1.236,438 2.5,439 1.299,440 3.482,441 2.011,442 1.045,443 1.5,445 2.232,446 1.003,447 2.416,448 1.202,449 3.247,450 2,451 1,452 1.291,454 2.136,455 1,456 2.066,457 1,458 3.196,459 1.864,460 0.838,461 1.04,463 1.96,464 0.854,465 1.577,466 0.698,467 2.911,468 1.458,469 0.502,470 0.527,472 1.084,473 0.476,474 15.9,475 0.482,476 0.554,477 0.017,478 40.5,479 1.227,480 20.5,481 0.621,482 20,483 0.606,484 29.454,485 0.893,486 35.7,487 0.541,488 28.433,489 0.862,490 7.717,491 0.234,492 8.487,493 0.257,494 0.052,496 0.245,501 0.759,502 1.233,503 0.875,504 1.133,505 0.596,506 1.033,507 1.084,508 1.082,509 1.008,510 1.06,511 0.67,512 1.02,513 1.143,514 1.067,515 0.955,516 1.039,517 0.828,518 0.986,519 1.063,520 0.925,521 0.926,522 0.905,523 1.029,524 0.899,525 1.049,526 0.97,527 1.016,528 0.973,529 1.155,530 0.986,531 0.729,532 0.968,533 0.98,534 0.997,535 0.572,536 1.012,537 0.794,538 0.973,539 0.964,540 0.996,541 0.53,542 0.999,543 1.05,544 0.922,545 1.011,546 0.943,547 0.921,548 0.969,549 4.5,550 0.082,551 2.444,552 1.813,553 1.622,554 0.583,555 0.422,556 0.208,557 0.156,558 0.123,559 21038,560 45612,561 2.116,562 50,563 8,564 21,569 4,572 1.74,573 2.041,574 4.028,575 -0.871,582 86.829,583 1.316,584 3.006,585 4.129,586 5.069,587 5.518,588 5.578,589 3.472,590 4.802,591 5.019,592 4.255,593 2246.58,594 8.714,595 39159.1,600 398.93,601 1.104,602 5.003,603 0.125,604 0.004,605 0.052,606 0.038,607 0.039,608 0.016,609 0.014,610 0.008,611 0.006,612 0.005,613 0.306,614 0.33,615 0.75,616 0.398,617 184.457,618 0.025,619 -0.101,620 0.064,621 -0.044,622 0.016,623 0.004,624 -0.055,625 0.009,626 -0.027,627 -0.044,628 0.038,629 -0.029,630 -0.012,631 -0.069,632 0.041,633 -0.048,634 0.086,635 -0.004,636 0.159,637 0.048,638 0.089,639 0.054,640 0.187,641 0.064,642 -0.068,643 0.011,644 -0.028,645 0.001,646 -0.053,647 -0.007,648 0.087,649 -0.006,650 -0.008,651 -0.02,652 0.073,653 -0.023,654 -0.005,655 -0.025,656 0.007,657 -0.024,658 0.005,659 -0.009,660 -0.071,661 0.027,662 -0.022,663 0.023,664 -0.071,665 0.009,666 1.662,667 5.623,668 0.606,669 44.479,670 0.988,671 1.118,672 4.42,673 19.536,674 0.66,675 3.611,676 3.871,677 4.111,678 4.357,679 4.585,680 4.625,681 4.727,682 4.836,683 4.898,684 4.804,685 10.209,686 0.615,687 443.63,688 3.611,689 5.118,690 5.943,691 6.792,692 7.638,693 8.501,694 9.359,695 10.232,696 11.1,697 11.981,698 1.5,701 1,715 12,720 6,722 18,727 1,739 2,741 66,743 19,744 3,745 36,747 69,748 29,749 18,750 6,751 12,752 1,756 4,757 7,770 6,772 19,773 10,777 1,782 1,786 1,793 33,794 4,796 4,802 1,808 0.5,809 3,829 4,833 2,855 1,859 2,864 1,868 33,876 9,878 2,881 1,893 4.5,896 1,898 2,901 16.167,902 11.95,903 7.444,904 4.331,907 3.165,908 1.4,909 0.974,910 8.432,911 11.08,912 3.85,913 4.363,914 4.896,915 5.433,916 5.958,917 6.121,918 6.472,919 6.827,920 7.145,921 7.315,922 1,923 48,924 12.264,926 5.095,927 0.026,929 7.535,931 24.117,933 19.707,936 2.035,937 67.167,941 388.446,942 176.543,943 3.124,945 47.145,948 176.543,949 435.591,950 3.124,951 8.396,952 24.011,953 113.715,954 30.278,955 50.411,957 388.446,959 388.446,960 179.667,961 47.145,964 341.362,965 94.229,968 27.135,969 152.532,972 388.446,973 50.269,974 176.543,977 388.446,978 54.431,979 125.236,981 47.145,982 388.446,983 50.269,984 176.543,986 0.561,987 0.318,988 0.175,989 0.095,990 20,991 8,992 0.174,993 12,994 2,995 1.2,996 4.785,997 274.396,998 0.2,999 20,1000 162.465,1005 23.381,1006 11.901,1007 6.613,1009 50.269,1010 23.498,1015 4.521,1018 615.258,1019 46,1024 12.623,1028 0.004,1031 65.221,1032 73.77,1034 0.218,1035 0.497,1036 0.683,1037 0.839,1038 0.913,1039 0.923,1040 5.053,1041 1.535,1042 5.878,1043 3.755,1044 4.554,1045 5.05,1046 1.698,1047 6.624,1048 4.5,1049 6.204,1050 1.439,1051 7.386,1052 3.384,1053 3.892,1054 4.605,1055 0.325,1056 7.398,1057 3.806,1058 7.469,1059 1.39,1060 9.002,1061 3.172,1062 6.066,1063 7.135,1064 1.422,1065 10.544,1066 5.965,1067 8.772,1068 1.257,1069 10.687,1070 3.07,1071 6.293,1072 7.574,1073 0.393,1074 12.239,1075 6.177,1076 10.115,1077 1.045,1078 12.421,1079 2.951,1080 7.871,1081 9.536,1082 1.2,1083 14.891,1084 7.74,1085 11.486,1086 1,1087 14.189,1088 2.232,1089 8.558,1090 10.416,1091 0.384,1092 16.977,1093 8.423,1094 12.88,1095 0.838,1096 15.983,1097 2.136,1098 9.875,1099 12.113,1100 1.01,1101 19.467,1102 9.727,1103 3.215,1104 0.502,1105 17.797,1106 1.96,1107 10.801,1108 13.23,1109 0.351,1110 21.726,1111 10.653,1112 2.642,1113 11.061,1114 19.627,1115 1.084,1116 12.009,1117 14.792,1118 0.845,1119 24.158,1120 11.851,1121 2.625,1122 8.529,1123 21.47,1124 4.198,1125 13.055,1126 16.041,1127 0.312,1128 26.494,1129 12.895,1130 2.271,1131 7.392,1132 23.323,1133 3.676,1134 14.223,1135 17.533,1136 0.702,1137 28.907,1138 14.054,1139 2.166,1140 6.913,1141 25.185,1142 3.455,1143 15.327,1144 18.857,1145 0.273,1146 31.278,1147 15.154,1148 2.016,1149 6.04,1150 27.055,1151 2.964,1152 16.483,1153 20.313,1154 0.579,1155 33.684,1156 16.303,1157 1.846,1158 5.518,1159 28.931,1160 2.504,1161 17.616,1162 21.681,1163 0.236,1164 36.071,1165 17.43,1166 19654,1167 29281,1168 24.731,1169 43.552,1170 52.248,1171 53.336,1172 52.87,1173 51.706,1174 51.621,1175 65.582,1176 5.618,1177 138.504,1178 50.237,1179 5.52,1180 5.692,1181 6.684,1182 5.3,1183 5.215,1184 7.198,1185 1.776,1186 18.6,1187 5.18,1188 11.262,1189 1.451,1190 1.482,1191 1.469,1192 1.436,1193 1.434,1194 1.822,1195 0.156,1196 3.847,1197 1.395,1198 4.049,1199 4.057,1200 4.014,1201 3.966,1202 7.427,1203 3.975,1204 3.928,1205 3.967,1206 3.848,1207 3.856,1208 4.946,1209 3.849,1210 3.798,1211 3.847,1212 3.717,1213 3.714,1214 4.755,1215 3.71,1216 3.756,1217 3.792,1218 3.619,1219 3.655,1220 4.708,1221 3.637,1222 3.615,1223 3.686,1224 3.463,1225 3.453,1226 4.378,1227 3.443,1228 3.425,1229 3.501,1230 3.271,1231 3.233,1232 4.271,1233 3.23,1234 3.237,1235 3.275,1236 3.144,1237 3.071,1238 4.123,1239 3.086,1240 3.118,1241 3.173,1242 2.94,1243 2.954,1244 4.035,1245 2.936,1246 0.126,1247 0.103,1248 0.188,1249 0.117,1250 0.089,1251 4.553,1252 0.117,1253 3.692,1254 0.025,1255 6.774,1256 0.307,1257 4.203,1258 0.088,1259 3.215,1260 4.198,1261 0.916,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.067,1267 2.084,1268 1.407,1269 2.074,1270 1.917,1271 1.884,1272 2.056,1273 2.023,1274 1.238,1275 2.039,1276 1.8,1277 1.759,1278 2.026,1279 1.949,1280 1.165,1281 1.978,1282 1.763,1283 1.721,1284 1.902,1285 1.867,1286 1.136,1287 1.88,1288 1.615,1289 1.546,1290 1.858,1291 1.798,1292 0.981,1293 1.823,1294 1.414,1295 1.337,1296 1.705,1297 1.642,1298 0.923,1299 1.669,1300 1.196,1301 1.151,1302 1.525,1303 1.429,1304 0.74,1305 1.46,1306 1.106,1307 1.056,1308 1.361,1309 1.296,1310 0.517,1311 1.287,1312 4.29,1314 5.565,1316 7.04,1318 8.62,1320 10.264,1322 2.199,1328 10.091,1330 11.83,1333 2.4,1340 40.595,1341 86.829,1342 198.388,1343 272.526,1344 334.565,1345 364.175,1346 368.175,1347 59.357,1348 7.916,1349 42.68,1350 42.68,1351 24,1352 12.52,1353 4.322,1354 3.459,1355 55.278,1356 208,1357 185,1358 0.124,1359 248.884,1360 439.09,1361 599.037,1362 39426,1364 22.882,1365 0.693,1366 0.59,1367 22.882,1368 19.464,1369 16.204,1370 0.45,1371 0.334,1372 11.903,1373 15.775,1374 11.612,1375 9.697,1376 16.204,1377 12.014,1378 13.803,1379 0.294,1380 0.187,1381 13.803,1382 8.778,1383 11.344,1384 0.189,1385 0.101,1386 11.344,1387 6.048,1388 9.457,1389 0.123,1390 0.055,1391 9.457,1392 4.226,1393 7.582,1394 0.078,1395 0.03,1396 7.582,1397 2.879,1398 0.211,1399 100.22,1400 0.201,1401 32.365,1402 0.301,1403 166,1404 428.852,1405 177.603,1406 413.3,1407 570.18,1408 390,1409 190,1410 419.124,1411 202.63,1412 425.632,1413 621.41,1414 401,1415 4.987}
{0 CHEMBL224553,1 1.347,2 16.886,3 7.014,4 49.191,5 140.435,6 6.767,7 0.474,8 4.314,9 4.426,10 3.802,11 3.858,12 5.327,13 3.818,14 4.876,15 5.054,16 4.109,17 4.227,18 5.817,19 4.163,20 5.133,21 5.35,22 4.213,23 4.364,24 6.047,25 4.28,26 5.198,27 5.423,28 4.144,29 4.367,30 6.15,31 4.254,32 5.206,33 5.462,34 4.002,35 4.358,36 6.013,37 4.209,38 5.194,39 5.459,40 3.905,41 4.311,42 5.971,43 4.145,44 5.138,45 5.407,46 3.757,47 4.238,48 5.853,49 4.053,50 5.082,51 5.368,52 3.626,53 4.134,54 5.78,55 3.937,56 0.039,57 0.907,58 15.801,59 7.178,60 9.497,61 9.4,62 0.23,63 1.499,64 29.458,65 11.553,66 25.518,67 15.506,68 0.327,69 1.848,70 39.023,71 14.8,72 39.368,73 20.117,74 0.669,75 1.923,76 42.318,77 15.652,78 66.697,79 21.405,80 0.371,81 1.96,82 42.294,83 16.207,84 47.694,85 22.714,86 0.497,87 1.911,88 42.134,89 15.919,90 52.938,91 22.439,92 0.361,93 1.788,94 39.741,95 15.363,96 39.175,97 21.549,98 0.423,99 1.66,100 37.986,101 14.369,102 42.587,103 20.354,104 14,105 50,106 0.211,107 0.487,108 0.701,109 0.836,110 0.895,111 0.9,112 3.587,113 0.996,114 -5.32,115 -5.21,116 -4.87,121 42.9,122 1,123 5,126 1,127 4,144 11,145 3,146 4,159 1,176 14,180 14,187 15,192 11,200 9,205 3,206 12,214 12,219 4,227 13,231 1,232 7,239 15,244 4,251 12,255 1,256 4,264 12,269 3,277 10,281 2343,282 24.344,283 24.344,284 24.344,285 24.344,286 24.344,287 22.088,288 26.208,289 14.854,290 24.879,291 18.675,292 18.675,293 18.675,294 18.675,295 18.675,296 15.197,297 33.081,298 6.939,299 19.405,300 4.782,301 3.025,302 1.661,303 0.797,304 0.422,305 0.393,306 4.288,312 1,313 1279,314 4.243,318 428.678,322 321.376,325 2.48,326 26.921,329 1,330 0.67,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.83,337 74.5,338 591,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 0.916,346 11.061,347 3.18,348 4.206,349 3.188,350 6.159,351 3.84,352 2.875,353 3.805,354 0.86,355 9.118,356 2.773,357 4.048,358 2.995,359 6.011,360 3.613,361 2.642,362 3.676,363 0.86,364 8.529,365 2.563,366 3.617,367 2.82,368 5.407,369 3.304,370 2.38,371 2.964,372 0.86,373 6.913,374 2.198,375 3.43,376 2.729,377 5.284,378 3.232,379 2.27,380 2.504,381 0.172,382 6.713,383 2.171,384 3.309,385 2.495,386 5.124,387 2.957,388 2.016,389 2.467,391 6.04,392 1.88,393 2.917,394 1.964,395 4.316,396 2.813,397 1.824,398 2.088,400 4.044,401 1.795,402 2.908,403 1.864,404 4.125,405 2.504,406 1.553,407 2.082,409 3.684,410 1.475,411 2.872,412 1.671,413 3.865,414 2.451,415 1.468,416 1.961,418 3.384,419 1.435,420 2.8,421 1.554,422 3.715,423 2.428,424 1.435,425 1.831,427 3.087,428 1.421,429 2.714,430 1.491,431 3.623,432 2.352,433 1.371,434 1.807,436 3.036,437 1.34,438 2.476,439 1.37,440 3.538,441 2.243,442 1.256,443 1.458,445 2.888,446 1.236,447 2.391,448 1.298,449 3.473,450 1.924,451 0.94,452 1.273,454 2.107,455 0.916,456 1.933,457 1.088,458 3.117,459 1.806,460 0.803,461 0.905,463 1.775,464 0.8,465 1.737,466 0.94,467 2.911,468 1.477,469 0.555,470 0.638,472 0.944,473 0.504,474 16.733,475 0.478,476 0.568,477 0.016,478 42.5,479 1.214,480 21,481 0.6,482 21.5,483 0.614,484 33.024,485 0.944,486 38.467,487 0.55,488 31.205,489 0.892,490 8.2,491 0.234,492 8.99,493 0.257,494 0.08,496 0.263,501 0.786,502 1.284,503 0.866,504 1.183,505 0.619,506 1.056,507 1.16,508 1.075,509 0.983,510 1.025,511 0.729,512 0.978,513 1.145,514 1.016,515 0.915,516 0.979,517 0.823,518 0.921,519 1.1,520 1.016,521 1.032,522 1.002,523 1.087,524 1.007,525 0.893,526 1.004,527 0.986,528 0.995,529 1.032,530 0.999,531 0.846,532 0.944,533 1.01,534 0.972,535 0.61,536 1.003,537 0.878,538 1.019,539 1.055,540 1.051,541 0.601,542 1.074,543 0.834,544 0.888,545 0.983,546 0.935,547 0.818,548 0.974,549 5,550 0.132,551 3.111,552 2,553 1.933,554 0.757,555 0.524,556 0.267,557 0.18,558 0.123,559 23356,560 53546,561 2.092,562 50,563 6,564 22,569 7,572 1.756,573 2,574 3.99,575 -0.85,582 94.318,583 1.347,584 3.104,585 4.468,586 5.333,587 5.708,588 5.736,589 3.373,590 4.901,591 5.108,592 4.227,593 2515.26,594 8.899,595 45151.8,600 429.05,601 1.206,602 5.08,603 0.132,604 0.005,605 0.062,606 0.037,607 0.04,608 0.018,609 0.014,610 0.009,611 0.007,612 0.005,613 0.329,614 0.33,615 0.75,616 0.686,617 197.925,618 0.018,619 -0.128,620 0.067,621 -0.07,622 0.014,623 -0.007,624 -0.078,625 0.018,626 0.004,627 -0.004,628 0.024,629 0.012,630 -0.034,631 0.008,632 0.084,633 0.012,634 0.096,635 0.059,636 0.104,637 -0.017,638 -0.021,639 -0.024,640 0.128,641 -0.038,642 -0.043,643 -0.019,644 -0.013,645 -0.016,646 -0.041,647 -0.011,648 0.019,649 0.03,650 -0.033,651 -0.003,652 0.043,653 -0.02,654 -0.054,655 -0.067,656 -0.085,657 -0.074,658 -0.038,659 -0.083,660 -0.003,661 0.045,662 -0.007,663 0.026,664 -0.048,665 0.011,666 1.669,667 5.657,668 0.571,669 43.43,670 0.992,671 1.12,672 4.093,673 16.753,674 0.654,675 3.664,676 3.932,677 4.205,678 4.443,679 4.673,680 4.718,681 4.796,682 4.883,683 4.949,684 4.852,685 10.158,686 0.612,687 473.66,688 3.664,689 5.176,690 6.014,691 6.87,692 7.727,693 8.595,694 9.462,695 10.337,696 11.21,697 12.091,698 1.4,701 1,715 11,720 7,722 18,727 1,739 3,741 70,743 19,744 3,745 38,747 73,748 30,749 18,750 7,751 11,752 1,756 4,757 7,763 1,770 5,772 19,773 11,777 1,782 1,786 1,793 35,794 5,796 5,802 1,808 0.5,809 4,829 4,833 2,855 1,859 2,864 2,868 35,876 9,878 3,881 1,893 5.7,896 1,898 3,901 17.5,902 13.033,903 8.056,904 4.64,907 3.293,908 1.409,909 0.963,910 9.216,911 11.347,912 3.892,913 4.413,914 4.968,915 5.498,916 6.019,917 6.197,918 6.523,919 6.857,920 7.177,921 7.337,922 0.909,923 54,924 12.995,926 5.37,927 0.026,929 7.567,931 25.426,933 20.587,936 2.067,937 72.333,941 411.989,942 183.193,943 3.124,945 58.145,948 183.193,949 470.133,950 3.124,951 19.708,952 23.582,953 104.239,954 30.278,955 66.654,957 411.989,959 411.989,960 186.317,961 58.145,964 329.591,965 140.542,968 35.532,969 150.786,972 411.989,973 61.269,974 183.193,977 411.989,978 59.246,979 127.071,981 58.145,982 411.989,983 61.269,984 183.193,986 0.559,987 0.335,988 0.184,989 0.1,990 21,991 9,992 0.178,993 13,994 2,995 1.2,996 4.831,997 302.183,998 0.2,999 20,1000 179.525,1005 25.28,1006 12.76,1007 6.652,1009 61.269,1010 21.085,1015 5.318,1018 656.451,1019 48,1024 12.657,1028 -0.002,1031 69.432,1032 78.394,1034 0.22,1035 0.506,1036 0.729,1037 0.87,1038 0.931,1039 0.936,1040 5.103,1041 1.553,1042 5.958,1043 4.044,1044 4.615,1045 5.1,1046 1.938,1047 6.732,1048 4.546,1049 6.261,1050 1.468,1051 7.488,1052 3.684,1053 4.007,1054 4.732,1055 0.325,1056 7.579,1057 3.907,1058 7.539,1059 1.435,1060 9.125,1061 3.384,1062 6.159,1063 7.211,1064 1.656,1065 10.703,1066 6.033,1067 8.856,1068 1.371,1069 10.829,1070 3.087,1071 6.447,1072 7.726,1073 0.393,1074 12.425,1075 6.302,1076 10.211,1077 1.256,1078 12.578,1079 3.036,1080 7.996,1081 9.64,1082 1.418,1083 15.057,1084 7.832,1085 11.594,1086 0.94,1087 14.357,1088 2.888,1089 8.724,1090 10.577,1091 0.384,1092 17.141,1093 8.551,1094 12.999,1095 0.803,1096 16.159,1097 2.107,1098 10.021,1099 12.24,1100 1.207,1101 19.611,1102 9.834,1103 3.215,1104 0.555,1105 17.977,1106 1.775,1107 10.966,1108 13.393,1109 0.351,1110 21.857,1111 10.775,1112 2.875,1113 11.061,1114 19.808,1115 0.944,1116 12.161,1117 14.932,1118 1.019,1119 24.272,1120 11.959,1121 2.642,1122 9.118,1123 21.649,1124 4.198,1125 13.211,1126 16.2,1127 0.312,1128 26.593,1129 13.005,1130 2.38,1131 8.529,1132 23.5,1133 3.805,1134 14.368,1135 17.676,1136 0.852,1137 28.991,1138 14.155,1139 2.27,1140 6.913,1141 25.357,1142 3.676,1143 15.469,1144 19.007,1145 0.273,1146 31.35,1147 15.251,1148 2.016,1149 6.713,1150 27.22,1151 2.964,1152 16.616,1153 20.452,1154 0.706,1155 33.744,1156 16.391,1157 1.824,1158 6.04,1159 29.089,1160 2.504,1161 17.742,1162 21.82,1163 0.236,1164 36.122,1165 17.512,1166 22000,1167 33613,1168 25.83,1169 45.767,1170 54.689,1171 56.542,1172 56.588,1173 54.463,1174 54.45,1175 68.612,1176 7.338,1177 148.826,1178 52.539,1179 5.519,1180 5.692,1181 6.664,1182 5.3,1183 5.215,1184 7.198,1185 1.776,1186 18.6,1187 5.18,1188 14.572,1189 1.439,1190 1.488,1191 1.489,1192 1.433,1193 1.433,1194 1.806,1195 0.193,1196 3.916,1197 1.383,1198 4.05,1199 4.058,1200 4.014,1201 3.966,1202 7.427,1203 3.975,1204 3.943,1205 3.974,1206 3.876,1207 3.859,1208 4.948,1209 3.859,1210 3.795,1211 3.84,1212 3.717,1213 3.714,1214 4.858,1215 3.71,1216 3.751,1217 3.79,1218 3.617,1219 3.641,1220 4.708,1221 3.625,1222 3.616,1223 3.687,1224 3.465,1225 3.443,1226 4.394,1227 3.438,1228 3.425,1229 3.498,1230 3.259,1231 3.253,1232 4.377,1233 3.239,1234 3.249,1235 3.315,1236 3.129,1237 3.067,1238 4.267,1239 3.081,1240 3.231,1241 3.277,1242 3.063,1243 2.994,1244 4.116,1245 2.989,1246 0.12,1247 0.097,1248 0.178,1249 0.111,1250 0.085,1251 4.553,1252 0.11,1253 3.692,1254 0.024,1255 6.774,1256 0.291,1257 4.203,1258 0.084,1259 3.215,1260 4.198,1261 0.916,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.063,1267 2.084,1268 1.395,1269 2.074,1270 1.913,1271 1.887,1272 2.05,1273 2.032,1274 1.232,1275 2.039,1276 1.793,1277 1.757,1278 2.006,1279 1.942,1280 1.164,1281 1.967,1282 1.757,1283 1.709,1284 1.894,1285 1.865,1286 1.105,1287 1.876,1288 1.61,1289 1.538,1290 1.86,1291 1.803,1292 0.988,1293 1.826,1294 1.438,1295 1.363,1296 1.752,1297 1.646,1298 0.966,1299 1.685,1300 1.203,1301 1.148,1302 1.573,1303 1.513,1304 0.76,1305 1.533,1306 1.194,1307 1.126,1308 1.521,1309 1.435,1310 0.614,1311 1.467,1312 4.344,1314 5.624,1316 7.114,1318 8.71,1320 10.366,1322 3.95,1328 9.5,1330 17.351,1333 2.474,1340 42.836,1341 94.318,1342 217.294,1343 312.757,1344 373.275,1345 399.54,1346 401.54,1347 66.114,1348 8.054,1349 51.91,1350 51.91,1351 24,1352 12.629,1353 4.322,1354 3.459,1355 60.351,1356 223,1357 161,1358 0.128,1359 262.472,1360 465.18,1361 632.193,1362 46490,1364 24.46,1365 0.699,1366 0.594,1367 24.46,1368 20.795,1369 17.19,1370 0.452,1371 0.332,1372 12.471,1373 16.608,1374 12.15,1375 10.138,1376 17.19,1377 12.62,1378 14.328,1379 0.287,1380 0.178,1381 14.328,1382 8.882,1383 12.353,1384 0.187,1385 0.098,1386 12.353,1387 6.47,1388 10.16,1389 0.121,1390 0.053,1391 10.16,1392 4.453,1393 8.191,1394 0.077,1395 0.029,1396 8.191,1397 3.065,1398 0.216,1399 107.171,1400 0.197,1401 33.635,1402 0.314,1403 176,1404 484.587,1405 190.814,1406 458.694,1407 632.39,1408 434,1409 204,1410 464.022,1411 219.787,1412 468.005,1413 686.01,1414 441,1415 5.502}
{0 CHEMBL224822,1 1.875,2 4.75,3 1.335,4 1.782,5 43.499,6 11.349,7 0.462,8 2.953,9 3.012,10 2.851,11 2.623,12 4.3,13 2.641,14 3.403,15 3.467,16 3.282,17 2.998,18 4.86,19 3.008,20 3.597,21 3.691,22 3.275,23 2.962,24 5.301,25 2.959,26 3.341,27 3.479,28 2.903,29 2.582,30 4.841,31 2.558,32 2.915,33 3.047,34 2.475,35 1.987,36 4.525,37 1.978,38 1.871,39 1.903,40 2.195,41 0.894,42 4.198,43 1.036,56 0.104,57 0.206,58 0.535,59 1.075,60 13.644,61 0.881,62 0.188,63 0.318,64 0.817,65 1.835,66 24.454,67 1.651,68 0.377,69 0.358,70 5.782,71 2.684,72 61.257,73 2.356,74 0.28,75 0.273,76 5.155,77 2.251,78 39.042,79 2.077,80 0.26,81 0.151,82 5.114,83 1.641,84 46.089,85 1.215,86 0.159,87 0.03,88 2.629,89 0.567,90 23.919,91 0.322,104 10,105 19,106 0.42,107 0.736,108 0.83,109 0.897,110 0.897,111 0.897,112 2.603,113 0.857,114 -2.79,115 -2.8,116 -2.72,121 50,144 3,145 1,146 2,159 1,160 1,176 2,180 1,183 1,185 2,187 5,191 1,192 2,195 1,197 1,200 2,206 4,211 2,214 1,219 1,232 2,281 82,282 7.793,283 7.793,284 7.793,285 7.793,286 7.793,287 6.833,288 9.607,289 4.418,290 7.934,291 6.379,292 6.379,293 6.379,294 6.379,295 6.379,296 4.803,297 13.556,298 2.089,299 6.625,300 2.125,301 0.719,302 0.297,306 3.225,308 1,312 1,313 118,314 1.581,317 20.023,318 24.29,321 37.456,325 0.792,326 18.873,329 1,330 0.67,331 0.83,332 0.4,334 1,335 1,336 0.7,337 26.833,338 57,339 4.496,340 3.885,341 6.657,342 4.163,343 3.161,344 4.1,345 1.058,346 10.614,347 3.168,348 3.785,349 2.991,350 5.466,351 3.326,352 2.377,353 3.195,355 6.81,356 2.242,357 3.248,358 2.866,359 4.917,360 2.781,361 1.825,362 2.466,364 5.353,365 1.684,366 3.032,367 2.406,368 4.676,369 2.659,370 1.677,371 2.164,373 4.818,374 1.596,375 2.437,376 1.473,377 3.495,378 1.877,379 0.847,380 1.24,382 2.047,383 0.85,384 1.337,385 0.556,386 2.477,387 0.847,388 -0.192,389 -0.283,391 -0.44,392 -0.166,393 0.973,394 0.442,395 2.291,396 0.503,397 -0.366,398 -0.456,400 -0.924,401 -0.29,402 0.496,403 -0.165,404 2.251,405 0.018,406 -1,407 -1.404,409 -2.737,410 -0.972,411 0.223,412 -0.867,413 1.605,414 -0.221,415 -1.187,416 -1.541,418 -3.086,419 -1.01,420 -0.136,421 -1.107,422 1.272,423 -0.586,424 -1.447,425 -2,427 -3.924,428 -1.505,429 -0.5,430 -1.513,431 1.177,432 -0.799,433 -1.788,434 -2.184,436 -5.504,437 -1.746,438 -0.579,439 -1.807,440 1,441 -0.968,442 -1.906,443 -2.297,445 -6.105,446 -1.85,447 -0.81,448 -2,449 0.715,450 -1,451 -2,452 -3,453 -1.058,454 -6.922,455 -2,474 5.781,475 0.482,476 0.404,477 0.034,478 17.25,479 1.438,480 9.5,481 0.792,482 7.75,483 0.646,484 5.808,485 0.484,486 12.219,487 0.764,488 9.826,489 0.819,490 3.494,491 0.291,492 2.188,493 0.182,494 0.239,496 0.432,501 0.623,502 0.972,503 0.466,504 0.644,505 0.549,506 0.611,507 0.592,508 1.151,509 0.557,510 0.856,511 0.599,512 0.851,513 0.914,514 1.044,515 1.136,516 1.115,517 0.859,518 1.158,519 1.092,520 1.113,521 1.121,522 1.23,523 1.059,524 1.294,525 2.179,526 0.725,527 1.714,528 0.882,529 2.233,530 0.991,531 1.05,532 0.066,533 1.732,534 1.576,535 1.756,536 0.585,549 3,551 1.778,552 1.451,553 0.488,554 0.334,559 740,560 3629,561 1.991,562 25,564 3,567 1,572 1.462,573 1.8,574 2.347,575 -0.083,582 30,583 1.875,584 3.281,585 3.703,586 4,587 4,588 4,589 1.855,590 2.855,591 3.561,592 2.33,593 153.798,594 5.875,595 1051.7,600 64,601 1.555,602 3.478,603 0.231,605 0.094,606 0.085,607 0.049,608 0.067,613 0.525,614 1,615 1,616 0.799,617 40.551,618 -0.079,619 0.05,620 -0.017,621 0.072,622 -0.056,623 0.072,624 0.045,625 -0.177,626 0.005,627 -0.096,628 0.003,629 -0.116,630 0.025,631 -0.114,632 -0.212,633 -0.189,634 0.082,635 -0.236,636 -0.144,637 -0.196,638 -0.075,639 -0.223,640 -0.121,641 -0.188,642 -0.715,643 0.127,644 -0.229,645 0.349,646 -0.653,647 0.238,648 1.412,649 0.645,650 1.066,651 -0.063,652 0.77,653 0.641,666 2.257,667 4.053,668 0.75,669 4.639,670 1.053,671 1.106,672 1.559,673 2.431,674 0.768,675 2.639,676 2.996,677 3.258,678 3.497,679 3.611,680 3.526,681 3.367,682 3.135,683 2.197,684 0.693,685 3.013,686 0.771,687 181.58,688 2.639,689 4.174,690 5.03,691 5.922,692 6.799,693 7.694,694 8.577,695 9.472,696 10.357,697 11.251,698 6.3,705 1,715 3,720 3,722 6,727 1,740 1,741 16,743 8,744 1,745 13,747 17,748 8,749 6,750 3,751 3,752 2,756 2,757 3,758 1,772 8,777 2,782 2,786 2,793 4,794 3,795 1,796 4,797 1,802 1,808 0.5,809 2,828 1,829 1,832 1,843 1,859 1,865 1,868 12,877 1,892 1,893 12.5,896 2,901 6.667,902 2.976,903 2.583,904 0.876,907 1.53,908 1.281,909 0.997,910 1.496,911 6.969,912 2.944,913 3.541,914 4.099,915 4.594,916 5.062,917 5.201,918 5.243,919 5.247,920 4.577,921 3.446,922 1,923 17,924 4.404,925 0.006,926 1.961,927 0.026,929 8.412,931 7.876,932 0.003,933 6.438,934 -0.002,936 2.912,937 34.944,938 0.004,941 35.313,942 47.71,943 18.011,944 39.149,945 50.29,948 47.71,949 124.752,950 18.011,952 18.011,953 28.429,954 60.128,955 9.443,957 35.313,958 39.149,959 35.313,960 65.721,961 50.29,962 39.149,964 35.313,965 50.29,968 18.011,969 47.71,970 39.149,972 35.313,973 68.301,974 86.858,977 35.313,978 19.281,979 28.429,980 18.011,981 89.438,982 35.313,983 68.301,984 86.858,986 0.6,987 0.355,988 0.184,989 0.097,990 11,991 5,994 1,995 1.222,996 2.343,997 72.757,998 0.222,999 9,1000 43.02,1005 7.466,1006 2.405,1007 1.072,1009 68.301,1010 4.677,1015 1.394,1017 18.011,1018 190.472,1019 18,1024 21.891,1028 -1.089,1031 16.847,1032 17.692,1034 0.469,1035 0.82,1036 0.926,1037 1,1038 1,1039 1,1040 4.182,1041 -1,1042 5.056,1043 -0.924,1044 3.664,1045 4.22,1046 1.176,1047 5.9,1048 3.61,1049 5.417,1050 -1.187,1051 6.648,1052 -2.737,1053 3.434,1054 4.182,1056 6.855,1057 3.349,1058 6.746,1059 -1.447,1060 8.336,1061 -3.086,1062 5.293,1063 6.407,1064 1.255,1065 9.962,1066 5.227,1067 8.108,1068 -1.788,1069 10.078,1070 -3.924,1071 5.832,1072 7.116,1074 11.741,1075 5.773,1076 9.5,1077 -1.906,1078 11.854,1079 -5.504,1080 7.241,1081 8.884,1082 1.338,1083 14.381,1084 7.189,1085 10.914,1086 -2,1087 13.654,1088 -6.105,1089 8.128,1090 9.94,1092 16.509,1093 8.097,1094 12.345,1096 15.474,1097 -6.922,1098 9.369,1099 11.521,1100 1.422,1101 18.979,1102 9.342,1103 3.161,1105 17.308,1107 10.409,1108 12.747,1110 21.249,1111 10.399,1112 2.377,1113 10.614,1114 19.155,1116 11.588,1117 14.242,1118 1.51,1119 23.653,1120 11.583,1121 1.825,1122 6.81,1123 21.011,1124 4.1,1125 12.692,1126 15.555,1128 25.98,1129 12.698,1130 1.677,1131 5.353,1132 22.875,1133 3.195,1134 13.85,1135 17.008,1136 1.599,1137 28.358,1138 13.861,1139 0.847,1140 4.818,1141 24.746,1142 2.466,1143 14.98,1144 18.366,1146 30.706,1147 14.999,1148 -0.192,1149 2.047,1150 26.621,1151 2.164,1152 16.132,1153 19.799,1154 1.69,1155 33.075,1156 16.155,1157 -0.366,1158 -0.44,1159 28.501,1160 1.24,1161 17.273,1162 21.181,1164 35.431,1165 17.302,1166 808,1167 1831,1168 8.266,1169 12.295,1170 20.147,1171 21.744,1172 21.193,1173 19.92,1174 19.772,1175 26.33,1176 2.117,1177 59.281,1178 19.079,1179 5.305,1180 5.885,1181 5.943,1182 5.163,1183 5.161,1184 7.1,1185 2.117,1186 17.536,1187 5.168,1188 6.13,1189 1.55,1190 1.673,1191 1.63,1192 1.532,1193 1.521,1194 2.025,1195 0.163,1196 4.56,1197 1.468,1198 4,1199 4.016,1200 4.053,1201 3.916,1202 7.499,1203 3.922,1204 3.448,1205 3.452,1206 3.642,1207 3.273,1208 7.352,1209 3.301,1210 2.939,1211 2.989,1212 3.048,1213 2.787,1214 4.927,1215 2.783,1216 2.621,1217 2.609,1218 2.795,1219 2.468,1220 4.326,1221 2.484,1222 2.509,1223 2.541,1224 2.485,1225 2.112,1226 3.846,1227 2.188,1228 1.912,1229 1.989,1230 2.079,1231 1.452,1232 3.297,1233 1.449,1234 1.595,1235 1.668,1236 1.642,1237 1.339,1238 2.903,1239 1.301,1240 1.357,1241 1.515,1242 0.841,1243 0.943,1244 2.103,1245 0.901,1246 0.346,1247 0.299,1248 0.512,1249 0.32,1250 0.243,1251 4.496,1252 0.315,1253 3.885,1254 0.081,1255 6.657,1256 0.816,1257 4.163,1258 0.244,1259 3.161,1260 4.1,1261 1.058,1262 10.614,1263 3.168,1264 1.87,1265 1.855,1266 1.936,1267 1.939,1268 1.072,1269 1.946,1270 1.365,1271 1.364,1272 1.422,1273 1.65,1274 0.34,1275 1.577,1276 0.933,1277 0.898,1278 1.089,1279 1.134,1280 0.151,1281 1.119,1282 0.768,1283 0.725,1284 0.969,1285 0.952,1287 0.981,1290 0.457,1291 0.403,1293 0.409,1296 0.07,1297 0.328,1299 0.226,1312 3.296,1314 4.635,1315 2.398,1316 6.168,1317 4.844,1318 7.786,1319 7.002,1320 9.45,1323 5.656,1329 2.415,1340 12.332,1341 30,1342 52.49,1343 59.245,1344 64,1345 64,1346 64,1347 18.865,1348 5.438,1349 49.93,1350 49.93,1351 11,1352 11.779,1353 3.17,1354 2.585,1355 17.021,1356 23,1357 18,1358 0.439,1359 81.205,1360 141.93,1361 189.9,1362 1086,1363 6.3,1364 8.715,1365 0.726,1366 0.557,1367 9.215,1368 6.682,1369 5.682,1370 0.437,1371 0.286,1372 3.321,1373 5.182,1374 3.237,1375 2.647,1376 5.97,1377 3.713,1378 5.414,1379 0.285,1380 0.153,1381 5.823,1382 2.91,1383 4.551,1384 0.182,1385 0.077,1386 4.813,1387 1.916,1388 3.6,1389 0.112,1390 0.04,1391 3.834,1392 1.291,1393 2.682,1394 0.075,1395 0.022,1396 2.914,1397 0.808,1398 0.616,1399 38.828,1400 0.348,1401 11.653,1402 1.422,1403 64,1404 248.007,1405 85.891,1406 266.275,1407 339.97,1408 244,1409 76,1410 215.389,1411 92.408,1412 226.79,1413 333.14,1414 213,1415 4}
{0 CHEMBL224884,1 1.607,2 4.25,3 1.157,4 1.338,5 43.735,6 8.483,7 0.462,8 3.078,9 3.17,10 2.747,11 2.687,12 4.334,13 2.69,14 3.556,15 3.682,16 3.135,17 3.051,18 4.85,19 3.048,20 3.717,21 3.842,22 3.166,23 3.05,24 5.3,25 3.044,26 3.666,27 3.867,28 2.741,29 2.849,30 4.911,31 2.786,32 3.45,33 3.691,34 2.221,35 2.337,36 4.792,37 2.24,38 2.76,39 2.995,40 0.711,41 1.143,42 4.22,43 1.089,56 0.044,57 0.259,58 2.797,59 1.625,60 6.521,61 1.778,62 0.114,63 0.409,64 5.452,65 2.769,66 17.157,67 3.277,68 0.241,69 0.455,70 6.867,71 3.173,72 47.163,73 3.621,74 0.187,75 0.438,76 7.888,77 2.966,78 27.703,79 3.533,80 0.167,81 0.309,82 7.64,83 2.67,84 27.951,85 3.386,86 0.245,87 0.116,88 5.053,89 1.073,90 53.199,91 0.824,104 10,105 19,106 0.346,107 0.73,108 0.807,109 0.861,110 0.861,111 0.861,112 2.604,113 0.843,114 -2.52,115 -2.55,116 -2.49,121 47.4,122 1,144 3,145 2,146 1,159 1,160 1,176 5,180 1,183 1,185 2,187 5,191 1,192 2,195 1,197 3,200 4,206 4,211 1,214 1,219 5,281 84,282 7.845,283 7.845,284 7.845,285 7.845,286 7.845,287 6.857,288 8.6,289 4.443,290 7.847,291 6.363,292 6.363,293 6.363,294 6.363,295 6.363,296 4.779,297 10.859,298 2.065,299 6.338,300 2.641,301 0.856,302 0.501,303 0.25,304 0.25,305 0.25,306 3.225,312 1,313 105,314 1.581,317 19.208,318 24.415,321 36.99,325 0.625,326 16.173,329 1,330 0.67,331 0.83,332 0.4,334 1,335 1,336 0.7,337 26.5,338 51,339 4.543,340 3.891,341 6.771,342 4.211,343 3.208,344 4.171,345 1.058,346 11.005,347 3.214,348 3.801,349 2.952,350 5.764,351 3.426,352 2.402,353 3.176,355 7.416,356 2.45,357 3.201,358 2.844,359 4.965,360 2.807,361 1.801,362 2.396,364 5.281,365 1.804,366 2.857,367 1.852,368 4.236,369 2.41,370 1.414,371 1.996,373 3.66,374 1.403,375 2.532,376 1.538,377 3.576,378 2.054,379 1.022,380 1.378,382 2.428,383 1.043,384 1.463,385 0.781,386 2.473,387 1.05,393 0.909,394 0.105,395 2.285,396 0.501,397 -0.527,398 -0.74,400 -1.207,401 -0.542,402 0.595,403 -0.205,404 2.256,405 0.145,406 -0.888,407 -1.168,409 -2.328,410 -0.9,411 0.109,412 -1.01,413 1.594,414 -0.282,415 -1.327,416 -1.776,418 -3.415,419 -1.351,420 -0.115,421 -1.145,422 1.29,423 -0.381,424 -1.414,425 -2,427 -3.876,428 -1.513,429 -0.5,430 -1.515,431 1.231,432 -0.792,433 -1.79,434 -2.168,436 -5.654,437 -1.745,438 -0.579,439 -1.809,440 1.088,441 -0.949,442 -1.902,443 -2.265,445 -6.096,446 -1.864,447 -0.815,448 -2,449 0.472,450 -1,451 -2,452 -3,453 -1.058,454 -7.214,455 -2,474 5.567,475 0.464,476 0.388,477 0.032,478 17,479 1.417,480 9.5,481 0.792,482 7.5,483 0.625,484 5.968,485 0.497,486 12.433,487 0.654,488 9.787,489 0.816,490 3.477,491 0.29,492 2.221,493 0.185,494 0.21,496 0.449,501 0.589,502 1.032,503 0.651,504 0.883,505 0.522,506 0.793,507 0.496,508 1.037,509 0.588,510 0.92,511 0.546,512 0.813,513 0.687,514 1.215,515 0.865,516 1.173,517 0.735,518 1.097,519 0.993,520 1.005,521 1.195,522 1.09,523 0.851,524 1.152,525 1.092,526 1.093,527 1.11,528 1.26,529 1.084,530 1.211,531 3.634,533 2.166,534 0.021,535 3.892,536 0.592,549 2.5,551 2,552 1.451,553 0.693,554 0.142,559 716,560 2491,561 1.991,562 36.8,563 3,564 3,567 1,572 1.466,573 1.8,574 2.241,575 -0.164,582 30.53,583 1.607,584 3.392,585 3.747,586 3.998,587 3.998,588 3.998,589 1.483,590 3.085,591 3.563,592 2.203,593 145.392,594 5.893,595 1025.44,600 80.711,601 1.555,602 3.478,603 0.192,605 0.105,606 0.081,607 0.063,608 0.029,613 0.47,614 1,615 1,616 0.799,617 40.226,618 -0.059,619 0.03,620 0.007,621 0.056,622 -0.057,623 0.055,624 0.129,625 -0.03,626 0.184,627 0.032,628 0.035,629 0.096,630 0.24,631 -0.255,632 -0.014,633 -0.243,634 0.196,635 -0.214,636 -0.16,637 -0.023,638 -0.231,639 -0.168,640 -0.077,641 -0.192,642 -0.044,643 -0.275,644 0.055,645 -0.287,646 0.009,647 -0.13,648 -1.112,649 0.743,650 -0.638,651 0.951,652 -1.105,653 0.412,666 2.195,667 4.137,668 0.75,669 4.5,670 1.021,671 1.114,672 1.291,673 1.667,674 0.695,675 2.639,676 2.996,677 3.296,678 3.526,679 3.638,680 3.466,681 3.258,682 3.135,683 2.303,684 1.099,685 2.892,686 0.686,687 161.17,688 2.639,689 4.174,690 5.043,691 5.938,692 6.828,693 7.724,694 8.619,695 9.516,696 10.411,697 11.308,698 5.3,705 1,715 3,720 3,722 6,727 1,741 19,743 8,744 1,745 13,747 20,748 9,749 6,750 3,751 3,752 2,756 2,757 3,763 1,772 8,773 1,777 2,782 2,786 2,793 7,794 3,795 1,796 3,802 1,808 0.5,809 2,828 1,829 1,832 1,843 1,859 1,864 1,868 12,877 1,893 10.5,896 2,901 6.667,902 3.833,903 2.611,904 1.097,907 1.544,908 1.284,909 0.989,910 1.354,911 6.982,912 2.944,913 3.541,914 4.123,915 4.609,916 5.076,917 5.11,918 5.205,919 5.269,920 4.699,921 3.841,922 0.667,923 18,924 4.426,925 0.006,926 1.944,927 0.026,929 8.236,931 8.09,932 0.002,933 6.609,934 -0.002,936 2.736,937 32.833,938 0.006,941 70.627,942 56.22,943 18.011,945 50.29,948 56.22,949 120.916,950 18.011,951 8.825,952 18.011,953 28.429,954 60.128,955 9.128,957 70.627,959 70.627,960 74.231,961 50.29,964 70.627,965 50.29,968 26.836,969 47.395,972 70.627,973 68.301,974 56.22,977 70.627,978 18.966,979 37.254,980 18.011,981 50.29,982 70.627,983 68.301,984 56.22,986 0.599,987 0.371,988 0.193,989 0.1,990 11,991 5,994 1,995 1.222,996 2.322,997 73.461,998 0.222,999 9,1000 41.02,1005 7.196,1006 2.258,1007 0.911,1009 68.301,1010 5.284,1015 2.069,1017 18.011,1018 195.147,1019 18,1024 22.059,1028 -0.965,1031 19.407,1032 21.163,1034 0.378,1035 0.798,1036 0.882,1037 0.941,1038 0.941,1039 0.941,1040 4.182,1041 -0.888,1042 5.069,1043 -1.207,1044 3.664,1045 4.22,1046 1.176,1047 5.938,1048 3.673,1049 5.417,1050 -1.327,1051 6.678,1052 -2.328,1053 3.434,1054 4.182,1056 6.963,1057 3.468,1058 6.75,1059 -1.414,1060 8.39,1061 -3.415,1062 5.313,1063 6.422,1064 1.255,1065 10.094,1066 5.328,1067 8.122,1068 -1.79,1069 10.158,1070 -3.876,1071 5.889,1072 7.169,1074 11.942,1075 5.925,1076 9.525,1077 -1.902,1078 11.96,1079 -5.654,1080 7.303,1081 8.938,1082 1.338,1083 14.602,1084 7.324,1085 10.952,1086 -2,1087 13.786,1088 -6.096,1089 8.227,1090 10.039,1092 16.779,1093 8.261,1094 12.397,1096 15.63,1097 -7.214,1098 9.474,1099 11.62,1100 1.422,1101 19.276,1102 9.499,1103 3.208,1105 17.487,1107 10.541,1108 12.886,1110 21.585,1111 10.573,1112 2.402,1113 11.005,1114 19.354,1116 11.731,1117 14.387,1118 1.51,1119 24.021,1120 11.758,1121 1.801,1122 7.416,1123 21.229,1124 4.171,1125 12.855,1126 15.732,1128 26.383,1129 12.886,1130 1.414,1131 5.281,1132 23.111,1133 3.176,1134 14.026,1135 17.195,1136 1.599,1137 28.796,1138 14.056,1139 1.022,1140 3.66,1141 24.998,1142 2.396,1143 15.174,1144 18.58,1146 31.179,1147 15.206,1149 2.428,1150 26.889,1151 1.996,1152 16.34,1153 20.025,1154 1.69,1155 33.583,1156 16.371,1157 -0.527,1159 28.784,1160 1.378,1161 17.497,1162 21.431,1164 35.975,1165 17.531,1166 787,1167 1526,1168 8.266,1169 13.199,1170 20.177,1171 21.921,1172 21.392,1173 19.73,1174 19.696,1175 26.233,1176 2.117,1177 59.578,1178 19.829,1179 5.358,1180 5.891,1181 6.299,1182 5.211,1183 5.208,1184 7.171,1185 2.117,1186 18.219,1187 5.214,1188 6.01,1189 1.552,1190 1.686,1191 1.646,1192 1.518,1193 1.515,1194 2.018,1195 0.163,1196 4.583,1197 1.525,1198 4.014,1199 4.034,1200 3.979,1201 3.929,1202 7.499,1203 3.936,1204 3.472,1205 3.491,1206 3.415,1207 3.282,1208 7.352,1209 3.312,1210 3.164,1211 3.243,1212 2.994,1213 3.011,1214 4.717,1215 2.996,1216 2.713,1217 2.771,1218 2.6,1219 2.441,1220 3.935,1221 2.461,1222 2.581,1223 2.6,1224 2.496,1225 2.345,1226 3.852,1227 2.367,1228 2.359,1229 2.409,1230 2.151,1231 2.026,1232 3.262,1233 2.07,1234 1.822,1235 1.912,1236 1.566,1237 1.302,1238 2.753,1239 1.354,1240 1.433,1241 1.637,1242 0.825,1243 1,1244 2.174,1245 0.929,1246 0.349,1247 0.299,1248 0.521,1249 0.324,1250 0.247,1251 4.543,1252 0.321,1253 3.891,1254 0.081,1255 6.771,1256 0.847,1257 4.211,1258 0.247,1259 3.208,1260 4.171,1261 1.058,1262 11.005,1263 3.214,1264 1.904,1265 1.882,1266 2.01,1267 1.982,1268 1.145,1269 1.993,1270 1.396,1271 1.388,1272 1.567,1273 1.659,1274 0.622,1275 1.598,1276 1.133,1277 1.06,1278 1.363,1279 1.386,1280 0.25,1281 1.419,1282 0.944,1283 0.894,1284 1.122,1285 1.165,1286 0.196,1287 1.152,1288 0.477,1289 0.387,1290 0.835,1291 0.729,1293 0.772,1296 0.376,1297 0.395,1299 0.305,1302 0.163,1303 0.247,1305 0.234,1311 0.049,1312 3.296,1314 4.635,1315 2.398,1316 6.18,1317 4.844,1318 7.816,1319 7.018,1320 9.497,1322 1.859,1329 2.527,1340 13.031,1341 30.53,1342 64.446,1343 71.201,1344 75.956,1345 75.956,1346 75.956,1347 17.998,1348 5.438,1349 49.93,1350 49.93,1351 11,1352 11.832,1353 3.17,1354 2.585,1355 16.936,1356 22,1357 15,1358 0.458,1359 82.465,1360 144.02,1361 192.973,1362 1084,1364 8.715,1365 0.726,1366 0.546,1367 8.715,1368 6.549,1369 5.698,1370 0.438,1371 0.281,1372 3.608,1373 5.51,1374 3.49,1375 2.908,1376 5.698,1377 3.652,1378 5.308,1379 0.279,1380 0.146,1381 5.308,1382 2.781,1383 4.695,1384 0.181,1385 0.075,1386 4.695,1387 1.962,1388 3.652,1389 0.111,1390 0.04,1391 3.652,1392 1.316,1393 2.819,1394 0.076,1395 0.021,1396 2.819,1397 0.788,1398 0.632,1399 35.753,1400 0.348,1401 11.547,1402 1.534,1403 64,1404 221.804,1405 70.372,1406 212.755,1407 281.67,1408 196,1409 77,1410 199.526,1411 83.816,1412 202.534,1413 298.17,1414 190,1415 4}
{0 CHEMBL224981,1 1.384,2 18.028,3 6.648,4 44.201,5 142.15,6 6.897,7 0.462,8 4.336,9 4.443,10 3.838,11 3.856,12 5.377,13 3.827,14 4.895,15 5.07,16 4.147,17 4.222,18 5.859,19 4.175,20 5.12,21 5.315,22 4.259,23 4.37,24 6.089,25 4.298,26 5.221,27 5.449,28 4.207,29 4.369,30 6.193,31 4.269,32 5.199,33 5.435,34 4.088,35 4.338,36 6.108,37 4.217,38 5.165,39 5.414,40 3.991,41 4.284,42 6.045,43 4.143,44 5.114,45 5.373,46 3.855,47 4.19,48 5.933,49 4.045,50 4.975,51 5.216,52 3.746,53 4.097,54 5.833,55 3.95,56 0.019,57 0.921,58 15.859,59 7.235,60 10.355,61 9.292,62 0.283,63 1.496,64 30.094,65 11.472,66 28.855,67 15.097,68 0.392,69 1.809,70 38.147,71 14.709,72 42.662,73 19.595,74 0.693,75 1.943,76 43.442,77 15.801,78 69.194,79 21.673,80 0.631,81 1.893,82 42.549,83 15.607,84 63.667,85 21.46,86 0.543,87 1.823,88 41.011,89 15.413,90 63.165,91 21.474,92 0.428,93 1.694,94 39.442,95 14.391,96 52.126,97 19.924,98 0.537,99 1.492,100 34.13,101 12.63,102 51.295,103 17.331,104 21,105 52,106 0.217,107 0.489,108 0.706,109 0.82,110 0.86,111 0.865,112 3.615,113 0.967,114 -4.82,115 -4.73,116 -4.44,121 42.3,123 5,126 3,127 3,144 10,145 3,146 5,159 1,176 13,180 13,187 14,191 1,192 12,200 9,205 3,206 10,214 9,218 2,219 4,227 9,231 2,232 8,239 10,244 5,251 10,255 2,256 3,264 12,268 1,269 2,277 10,281 2776,282 24.792,283 24.792,284 24.792,285 24.792,286 24.792,287 22.564,288 29.031,289 15.046,290 25.463,291 19.175,292 19.175,293 19.175,294 19.175,295 19.175,296 15.608,297 37.489,298 7.072,299 20.056,300 4.765,301 3.021,302 1.637,303 0.909,304 0.652,305 0.623,306 4.313,312 1,313 1396,314 4.301,318 433.826,322 319.245,325 2.694,326 31.548,329 1,330 0.67,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.83,337 77.5,338 649,339 4.592,340 3.704,341 6.796,342 4.232,343 3.249,344 4.267,345 0.916,346 11.163,347 3.201,348 4.221,349 3.186,350 6.219,351 3.799,352 2.844,353 3.871,354 0.86,355 9.283,356 2.714,357 3.927,358 2.993,359 5.865,360 3.597,361 2.625,362 3.455,363 0.86,364 8.005,365 2.559,366 3.842,367 2.943,368 5.484,369 3.454,370 2.501,371 3.255,372 0.86,373 7.392,374 2.376,375 3.498,376 2.755,377 5.399,378 3.122,379 2.171,380 2.809,381 0.86,382 6.854,383 2.057,384 3.335,385 2.419,386 5.142,387 3.111,388 2.162,389 2.546,390 0.172,391 6.143,392 2.037,393 3.294,394 2.367,395 4.819,396 2.977,397 2.041,398 2.364,400 5.518,401 1.889,402 2.909,403 2.195,404 4.507,405 2.796,406 1.808,407 2.036,409 4.383,410 1.78,411 2.879,412 1.865,413 3.925,414 2.507,415 1.586,416 1.975,418 3.691,419 1.459,420 2.792,421 1.609,422 3.861,423 2.457,424 1.467,425 1.818,427 3.082,428 1.445,429 2.589,430 1.529,431 3.608,432 2.32,433 1.345,434 1.566,436 2.87,437 1.307,438 2.5,439 1.465,440 3.496,441 2.1,442 1.122,443 1.5,445 2.77,446 1.087,447 2.406,448 1.253,449 3.4,450 2,451 1,452 1.395,454 2.136,455 1,456 1.991,457 1.047,458 3.247,459 1.803,460 0.857,461 0.907,463 1.833,464 0.803,465 1.89,466 1.015,467 3.079,468 1.609,469 0.661,470 0.805,472 1.403,473 0.617,474 17.067,475 0.474,476 0.674,477 0.019,478 44,479 1.222,480 21.5,481 0.597,482 22.5,483 0.625,484 33.389,485 0.927,486 39.933,487 0.562,488 34.335,489 0.954,490 8.701,491 0.242,492 8.883,493 0.247,494 0.107,496 0.287,501 0.808,502 1.325,503 0.843,504 1.22,505 0.634,506 1.064,507 1.238,508 0.969,509 0.958,510 0.935,511 0.779,512 0.897,513 1.035,514 1.099,515 0.937,516 1.066,517 0.842,518 0.997,519 0.911,520 1.009,521 0.926,522 0.99,523 1.003,524 0.962,525 0.955,526 0.983,527 1,528 0.988,529 1.043,530 0.997,531 0.742,532 1.015,533 0.948,534 1.038,535 0.601,536 1.026,537 1.029,538 0.939,539 0.986,540 0.956,541 1.05,542 0.964,543 0.999,544 0.954,545 1.099,546 1.004,547 1.329,548 1.059,549 6,550 0.149,551 3.111,552 2.188,553 2.244,554 0.986,555 0.706,556 0.358,557 0.271,558 0.174,559 24693,560 58001,561 2.073,562 49.3,563 6,564 25,569 4,572 1.764,573 1.964,574 4.075,575 -0.827,582 98.291,583 1.384,584 3.128,585 4.513,586 5.241,587 5.498,588 5.526,589 3.52,590 4.892,591 5.139,592 4.294,593 2705.2,594 8.973,595 48958.9,600 436.632,601 1.3,602 5.112,603 0.154,604 0.006,605 0.06,606 0.039,607 0.044,608 0.022,609 0.018,610 0.01,611 0.009,612 0.006,613 0.367,614 0.17,615 0.75,616 0.727,617 204.961,618 0.008,619 -0.159,620 0.07,621 -0.099,622 0.01,623 -0.02,624 -0.12,625 0.122,626 0.028,627 0.083,628 0.01,629 0.085,630 0.026,631 -0.068,632 0.046,633 -0.05,634 0.092,635 -0.006,636 0.152,637 -0.015,638 0.071,639 -0.011,640 0.156,641 0.015,642 0.056,643 0.003,644 -0.009,645 -0.009,646 0.026,647 -0.016,648 0.122,649 -0.045,650 0.026,651 -0.055,652 0.172,653 -0.032,654 -0.065,655 0.008,656 0.006,657 0.011,658 -0.041,659 0.019,660 0.004,661 0.015,662 -0.11,663 -0.024,664 -0.131,665 -0.077,666 1.77,667 5.986,668 0.556,669 53.741,670 0.997,671 1.121,672 3.589,673 12.882,674 0.651,675 3.689,676 3.97,677 4.234,678 4.489,679 4.745,680 4.852,681 4.984,682 5.124,683 5.231,684 5.204,685 10.379,686 0.613,687 489.66,688 3.689,689 5.209,690 6.047,691 6.911,692 7.771,693 8.648,694 9.522,695 10.408,696 11.292,697 12.186,698 1.4,701 1,715 10,720 8,722 18,727 1,739 4,741 71,743 19,744 3,745 39,747 74,748 30,749 18,750 8,751 10,752 1,756 4,757 7,770 5,772 19,773 11,777 1,782 1,786 1,793 35,794 6,796 6,802 1,808 0.5,809 5,829 4,833 2,855 1,859 2,864 3,868 36,876 8,878 4,881 1,893 7,896 1,898 4,901 18.333,902 13.617,903 8.222,904 4.393,907 3.179,908 1.387,909 0.956,910 9.399,911 11.392,912 3.912,913 4.449,914 5.006,915 5.552,916 6.105,917 6.36,918 6.712,919 7.077,920 7.443,921 7.695,922 0.917,923 56,924 13.359,926 5.523,927 0.026,929 7.611,931 25.919,933 20.82,936 2.111,937 76,941 411.989,942 187.309,943 3.124,945 69.144,948 187.309,949 481.133,950 3.124,951 30.162,952 21.476,953 94.762,954 30.278,955 82.898,957 411.989,959 411.989,960 190.433,961 69.144,964 364.904,965 116.229,968 24.601,969 165.832,972 411.989,973 72.269,974 187.309,977 411.989,978 62.384,979 128.049,981 69.144,982 411.989,983 72.269,984 187.309,986 0.563,987 0.331,988 0.181,989 0.1,990 22,991 10,992 0.176,993 13,994 2,995 1.2,996 4.887,997 317.047,998 0.2,999 20,1000 182.117,1005 26.213,1006 12.909,1007 6.889,1009 72.269,1010 19.316,1015 4.998,1018 671.566,1019 49,1024 12.986,1028 -0.104,1031 70.76,1032 79.604,1034 0.225,1035 0.509,1036 0.734,1037 0.852,1038 0.894,1039 0.899,1040 5.133,1041 1.808,1042 6.004,1043 5.518,1044 4.654,1045 5.136,1046 2.131,1047 6.786,1048 4.575,1049 6.302,1050 1.586,1051 7.54,1052 4.383,1053 4.111,1054 4.844,1055 0.325,1056 7.633,1057 4,1058 7.588,1059 1.467,1060 9.179,1061 3.691,1062 6.209,1063 7.266,1064 1.846,1065 10.757,1066 6.068,1067 8.912,1068 1.345,1069 10.883,1070 3.082,1071 6.524,1072 7.823,1073 0.393,1074 12.464,1075 6.36,1076 10.272,1077 1.122,1078 12.629,1079 2.87,1080 8.048,1081 9.706,1082 1.597,1083 15.109,1084 7.865,1085 11.659,1086 1,1087 14.405,1088 2.77,1089 8.788,1090 10.671,1091 0.384,1092 17.189,1093 8.589,1094 13.066,1095 0.857,1096 16.203,1097 2.136,1098 10.077,1099 12.32,1100 1.372,1101 19.673,1102 9.864,1103 3.249,1104 0.661,1105 18.018,1106 1.833,1107 11.031,1108 13.496,1109 0.351,1110 21.924,1111 10.807,1112 2.844,1113 11.163,1114 19.847,1115 1.403,1116 12.226,1117 15.033,1118 1.167,1119 24.352,1120 11.991,1121 2.625,1122 9.283,1123 21.687,1124 4.267,1125 13.286,1126 16.324,1127 0.312,1128 26.683,1129 13.042,1130 2.501,1131 8.005,1132 23.536,1133 3.871,1134 14.449,1135 17.806,1136 0.983,1137 29.093,1138 14.195,1139 2.171,1140 7.392,1141 25.394,1142 3.455,1143 15.561,1144 19.162,1145 0.273,1146 31.462,1147 15.298,1148 2.162,1149 6.854,1150 27.259,1151 3.255,1152 16.717,1153 20.618,1154 0.819,1155 33.868,1156 16.444,1157 2.041,1158 6.143,1159 29.129,1160 2.809,1161 17.856,1162 22.009,1163 0.236,1164 36.256,1165 17.573,1166 23443,1167 36342,1168 26.235,1169 46.222,1170 56.503,1171 58.52,1172 58.458,1173 56.162,1174 56.183,1175 70.543,1176 9.058,1177 155.345,1178 53.815,1179 5.555,1180 5.704,1181 6.686,1182 5.334,1183 5.249,1184 7.267,1185 1.776,1186 18.713,1187 5.201,1188 16.994,1189 1.449,1190 1.501,1191 1.499,1192 1.44,1193 1.441,1194 1.809,1195 0.232,1196 3.983,1197 1.38,1198 4.057,1199 4.061,1200 4.028,1201 3.967,1202 7.427,1203 3.98,1204 3.927,1205 3.966,1206 3.847,1207 3.856,1208 4.993,1209 3.849,1210 3.809,1211 3.84,1212 3.756,1213 3.716,1214 4.822,1215 3.722,1216 3.755,1217 3.797,1218 3.609,1219 3.639,1220 4.755,1221 3.622,1222 3.585,1223 3.657,1224 3.438,1225 3.407,1226 4.539,1227 3.402,1228 3.389,1229 3.449,1230 3.284,1231 3.182,1232 4.491,1233 3.191,1234 3.301,1235 3.347,1236 3.143,1237 3.099,1238 4.274,1239 3.112,1240 3.249,1241 3.314,1242 3.069,1243 2.955,1244 4.193,1245 2.968,1246 0.118,1247 0.095,1248 0.174,1249 0.109,1250 0.083,1251 4.592,1252 0.109,1253 3.704,1254 0.023,1255 6.796,1256 0.286,1257 4.232,1258 0.082,1259 3.249,1260 4.267,1261 0.916,1262 11.163,1263 3.201,1264 1.982,1265 1.979,1266 2.062,1267 2.087,1268 1.392,1269 2.069,1270 1.917,1271 1.884,1272 2.04,1273 2.023,1274 1.209,1275 2.038,1276 1.79,1277 1.761,1278 2.012,1279 1.941,1280 1.166,1281 1.967,1282 1.753,1283 1.708,1284 1.868,1285 1.876,1286 1.104,1287 1.873,1288 1.575,1289 1.504,1290 1.824,1291 1.779,1292 0.976,1293 1.799,1294 1.359,1295 1.287,1296 1.662,1297 1.598,1298 0.855,1299 1.622,1300 1.237,1301 1.199,1302 1.576,1303 1.525,1304 0.667,1305 1.54,1306 1.191,1307 1.116,1308 1.555,1309 1.505,1310 0.575,1311 1.519,1312 4.369,1314 5.659,1316 7.154,1318 8.754,1320 10.417,1322 5.281,1328 8.516,1330 22.625,1333 2.381,1340 43.551,1341 98.291,1342 222.123,1343 320.419,1344 372.103,1345 390.367,1346 392.367,1347 72.096,1348 8.214,1349 61.14,1350 61.14,1351 24,1352 12.715,1353 4.322,1354 3.459,1355 63.049,1356 226,1357 226,1358 0.131,1359 266.469,1360 473.97,1361 641.944,1362 53391,1364 25.33,1365 0.704,1366 0.595,1367 25.33,1368 21.419,1369 17.584,1370 0.451,1371 0.322,1372 12.372,1373 16.85,1374 12,1375 10.043,1376 17.584,1377 12.567,1378 14.973,1379 0.288,1380 0.176,1381 14.973,1382 9.132,1383 12.627,1384 0.186,1385 0.094,1386 12.627,1387 6.396,1388 10.465,1389 0.119,1390 0.05,1391 10.465,1392 4.429,1393 8.477,1394 0.074,1395 0.027,1396 8.477,1397 3.023,1398 0.22,1399 110.734,1400 0.195,1401 34.43,1402 0.323,1403 182,1404 536.323,1405 199.36,1406 501.79,1407 685.8,1408 474,1409 211,1410 497.215,1411 229.721,1412 503.8,1413 735.16,1414 470,1415 5.635}
{0 CHEMBL224988,1 1.875,2 4.25,3 0.876,4 0.767,5 38.911,6 10.321,7 0.462,8 2.963,9 3.032,10 2.768,11 2.554,12 4.386,13 2.609,14 3.416,15 3.491,16 3.173,17 2.902,18 4.954,19 2.963,20 3.62,21 3.734,22 3.223,23 2.82,24 5.448,25 2.909,26 3.392,27 3.54,28 2.805,29 2.422,30 5.065,31 2.533,32 2.963,33 3.112,34 2.304,35 1.643,36 5.239,37 1.793,38 1.729,39 1.923,40 0.295,41 0.509,42 3.135,43 0.491,56 0.141,57 0.295,58 1.045,59 1.295,60 24.544,61 0.952,62 0.251,63 0.466,64 1.748,65 2.145,66 42.671,67 1.73,68 0.481,69 0.547,70 4.504,71 2.667,72 88.74,73 2.304,74 0.417,75 0.454,76 4.368,77 2.175,78 77.627,79 1.532,80 0.442,81 0.206,82 4.053,83 1.351,84 90.37,85 1.061,86 0.112,87 0.024,88 1.701,89 0.363,90 24.562,91 0.271,104 10,105 19,106 0.42,107 0.736,108 0.83,109 0.897,110 0.897,111 0.897,112 2.604,113 0.771,114 -2.63,115 -2.65,116 -2.58,121 50,144 3,145 1,146 2,159 1,160 1,176 3,180 1,183 1,185 1,187 2,191 1,192 2,195 1,197 2,200 1,206 2,211 1,219 3,281 84,282 7.845,283 7.845,284 7.845,285 7.845,286 7.845,287 6.857,288 7.962,289 4.443,290 7.899,291 6.363,292 6.363,293 6.363,294 6.363,295 6.363,296 4.779,297 9.526,298 2.065,299 6.448,300 2.125,301 0.719,302 0.297,306 3.225,312 1,313 105,314 1.581,317 19.208,318 24.415,321 36.99,325 0.625,326 25.193,329 1,330 0.67,331 0.83,332 0.4,334 1,335 1,336 0.7,337 28,338 51,339 4.543,340 3.895,341 6.771,342 4.204,343 3.208,344 4.171,345 1.058,346 11.005,347 3.195,348 3.801,349 3.101,350 5.764,351 3.394,352 2.402,353 3.176,355 7.416,356 2.359,357 3.201,358 2.877,359 4.965,360 2.795,361 1.801,362 2.396,364 5.281,365 1.772,366 2.857,367 2.056,368 4.236,369 2.404,370 1.414,371 1.996,373 3.66,374 1.394,375 2.532,376 1.538,377 3.576,378 2.029,379 1.022,380 1.378,382 2.428,383 1.007,384 1.463,385 0.881,386 2.473,387 1.007,393 0.909,394 0.221,395 2.285,396 0.452,397 -0.527,398 -0.74,400 -1.207,401 -0.509,402 0.595,403 -0.1,404 2.256,405 0.135,406 -0.888,407 -1.168,409 -2.328,410 -0.888,411 0.109,412 -1.005,413 1.594,414 -0.291,415 -1.327,416 -1.776,418 -3.415,419 -1.229,420 -0.115,421 -1.036,422 1.29,423 -0.479,424 -1.414,425 -2,427 -3.876,428 -1.503,429 -0.5,430 -1.513,431 1.231,432 -0.796,433 -1.79,434 -2.168,436 -5.654,437 -1.745,438 -0.579,439 -1.804,440 1.088,441 -0.954,442 -1.902,443 -2.265,445 -6.096,446 -1.855,447 -0.815,448 -2,449 0.472,450 -1,451 -2,452 -3,453 -1.058,454 -7.214,455 -2,474 5.352,475 0.446,476 0.388,477 0.032,478 17.25,479 1.438,480 9.5,481 0.792,482 7.75,483 0.646,484 5.312,485 0.443,486 12.648,487 0.79,488 10.442,489 0.87,490 3.64,491 0.303,492 2.059,493 0.172,494 0.178,496 0.467,499 1,501 0.595,502 0.822,503 0.524,504 0.805,505 0.549,506 0.688,507 0.613,508 0.998,509 0.6,510 1.061,511 0.633,512 0.954,513 0.867,514 0.985,515 0.877,516 1.068,517 0.923,518 1.041,519 1.539,520 1.375,521 1.432,522 1.191,523 1.446,524 1.181,525 1.241,526 0.88,527 1.426,528 0.908,529 1.214,530 1.104,531 2.128,533 2.417,534 0.022,535 2.426,536 0.785,549 2.5,551 2,552 1.451,553 0.693,554 0.142,559 716,560 3421,561 1.991,562 25,564 3,567 1,572 1.466,573 1.8,574 2.241,575 -0.083,582 30,583 1.875,584 3.281,585 3.703,586 4,587 4,588 4,589 1.483,590 3.085,591 3.563,592 2.203,593 145.392,594 5.893,595 1025.44,600 64,601 1.555,602 3.478,603 0.192,605 0.105,606 0.081,607 0.063,608 0.029,613 0.47,614 1,615 1,616 0.799,617 40.226,618 -0.062,619 0.004,620 -0.022,621 0.067,622 -0.042,623 0.077,624 0.016,625 -0.159,626 0.001,627 -0.182,628 -0.022,629 -0.157,630 0.075,631 -0.05,632 0.065,633 -0.139,634 0.018,635 -0.11,636 -0.408,637 -0.237,638 -0.321,639 -0.222,640 -0.345,641 -0.188,642 0.248,643 0.182,644 0.034,645 0.109,646 0.332,647 0.012,648 -0.832,649 0.261,650 -0.55,651 1.039,652 -0.907,653 0.742,666 2.435,667 4.871,668 0.75,669 4.5,670 1.065,671 1.13,672 1.402,673 1.966,674 0.711,675 2.639,676 2.996,677 3.296,678 3.526,679 3.638,680 3.466,681 3.258,682 3.135,683 2.303,684 1.099,685 2.892,686 0.743,687 165.13,688 2.639,689 4.174,690 5.043,691 5.938,692 6.828,693 7.724,694 8.619,695 9.516,696 10.411,697 11.308,698 6.3,705 1,715 3,720 3,722 6,727 1,740 1,741 16,743 8,744 1,745 13,747 17,748 8,749 6,750 3,751 3,752 2,756 2,757 3,772 8,777 2,782 2,786 2,791 1,793 4,794 4,795 1,796 4,802 1,808 0.5,809 2,828 1,829 1,832 1,843 1,859 1,866 1,868 12,877 1,892 1,893 12.5,896 2,901 6.667,902 2.976,903 2.611,904 0.883,907 1.544,908 1.284,909 1.003,910 1.323,911 6.982,912 2.944,913 3.541,914 4.123,915 4.609,916 5.076,917 5.11,918 5.205,919 5.269,920 4.699,921 3.841,922 0.667,923 18,924 4.451,925 0.006,926 2.053,927 0.026,929 8.736,931 7.736,932 0.003,933 6.335,934 -0.002,936 3.236,937 38.833,938 0.003,941 35.313,942 53.33,943 18.011,945 50.29,946 14.96,948 53.33,949 85.603,950 32.971,952 18.011,953 28.429,954 60.128,955 15.063,956 14.96,957 35.313,959 35.313,960 71.341,961 65.25,964 50.273,965 50.29,968 18.011,969 53.33,972 50.273,973 68.301,974 53.33,977 35.313,978 24.901,979 28.429,980 18.011,981 65.25,982 35.313,983 83.261,984 53.33,986 0.599,987 0.371,988 0.193,989 0.1,990 11,991 5,994 1,995 1.222,996 2.322,997 73.461,998 0.222,999 9,1000 43.02,1005 7.135,1006 2.225,1007 0.894,1009 83.261,1010 4.003,1015 -0.473,1017 18.011,1018 171.904,1019 18,1024 21.726,1028 -1.445,1031 17.036,1032 18.087,1034 0.469,1035 0.82,1036 0.926,1037 1,1038 1,1039 1,1040 4.182,1041 -0.888,1042 5.069,1043 -1.207,1044 3.664,1045 4.22,1046 1.176,1047 5.938,1048 3.642,1049 5.417,1050 -1.327,1051 6.678,1052 -2.328,1053 3.434,1054 4.182,1056 6.963,1057 3.41,1058 6.75,1059 -1.414,1060 8.39,1061 -3.415,1062 5.313,1063 6.422,1064 1.255,1065 10.094,1066 5.279,1067 8.122,1068 -1.79,1069 10.158,1070 -3.876,1071 5.889,1072 7.169,1074 11.942,1075 5.857,1076 9.525,1077 -1.902,1078 11.96,1079 -5.654,1080 7.303,1081 8.938,1082 1.338,1083 14.602,1084 7.263,1085 10.952,1086 -2,1087 13.786,1088 -6.096,1089 8.227,1090 10.039,1092 16.779,1093 8.189,1094 12.397,1096 15.63,1097 -7.214,1098 9.474,1099 11.62,1100 1.422,1101 19.276,1102 9.43,1103 3.208,1105 17.487,1107 10.541,1108 12.886,1110 21.585,1111 10.497,1112 2.402,1113 11.005,1114 19.354,1116 11.731,1117 14.387,1118 1.51,1119 24.021,1120 11.683,1121 1.801,1122 7.416,1123 21.229,1124 4.171,1125 12.855,1126 15.732,1128 26.383,1129 12.806,1130 1.414,1131 5.281,1132 23.111,1133 3.176,1134 14.026,1135 17.195,1136 1.599,1137 28.796,1138 13.973,1139 1.022,1140 3.66,1141 24.998,1142 2.396,1143 15.174,1144 18.58,1146 31.179,1147 15.118,1149 2.428,1150 26.889,1151 1.996,1152 16.34,1153 20.025,1154 1.69,1155 33.583,1156 16.281,1157 -0.527,1159 28.784,1160 1.378,1161 17.497,1162 21.431,1164 35.975,1165 17.435,1166 787,1167 1766,1168 8.266,1169 11.375,1170 20.177,1171 22.133,1172 21.392,1173 19.757,1174 19.696,1175 26.233,1176 2.117,1177 59.578,1178 19.457,1179 5.358,1180 5.895,1181 6.299,1182 5.204,1183 5.208,1184 7.171,1185 2.117,1186 18.219,1187 5.195,1188 6.01,1189 1.552,1190 1.703,1191 1.646,1192 1.52,1193 1.515,1194 2.018,1195 0.163,1196 4.583,1197 1.497,1198 4.005,1199 4.023,1200 3.98,1201 3.904,1202 8.201,1203 3.917,1204 3.445,1205 3.459,1206 3.406,1207 3.245,1208 7.498,1209 3.281,1210 2.972,1211 3.018,1212 2.917,1213 2.773,1214 7.352,1215 2.795,1216 2.611,1217 2.617,1218 2.561,1219 2.417,1220 4.616,1221 2.443,1222 2.515,1223 2.557,1224 2.437,1225 2.092,1226 3.925,1227 2.177,1228 1.957,1229 2.026,1230 1.814,1231 1.377,1232 3.409,1233 1.459,1234 1.581,1235 1.734,1236 1.382,1237 1.036,1238 2.827,1239 1.051,1240 1.413,1241 1.578,1242 0.825,1243 0.933,1244 2.176,1245 0.919,1246 0.349,1247 0.3,1248 0.521,1249 0.323,1250 0.247,1251 4.543,1252 0.321,1253 3.895,1254 0.081,1255 6.771,1256 0.847,1257 4.204,1258 0.246,1259 3.208,1260 4.171,1261 1.058,1262 11.005,1263 3.195,1264 1.868,1265 1.849,1266 1.951,1267 1.959,1268 1.06,1269 1.955,1270 1.363,1271 1.361,1272 1.413,1273 1.651,1274 0.311,1275 1.576,1276 0.945,1277 0.896,1278 1.123,1279 1.165,1280 0.2,1281 1.152,1282 0.742,1283 0.701,1284 0.952,1285 0.986,1287 0.967,1290 0.401,1291 0.445,1293 0.403,1296 0.209,1297 0.332,1299 0.235,1303 0.044,1305 0.11,1312 3.296,1314 4.635,1315 2.398,1316 6.18,1317 4.844,1318 7.816,1319 7.018,1320 9.497,1324 12.871,1329 2.152,1340 11.888,1341 30,1342 52.49,1343 59.245,1344 64,1345 64,1346 64,1347 23.797,1348 5.438,1349 49.93,1350 49.93,1351 11,1352 11.832,1353 3.17,1354 2.585,1355 16.936,1356 22,1357 15,1358 0.458,1359 74.07,1360 132.79,1361 172.492,1362 1084,1363 6.3,1364 8.715,1365 0.726,1366 0.494,1367 7.845,1368 5.927,1369 5.698,1370 0.438,1371 0.257,1372 3.271,1373 5.399,1374 3.245,1375 2.656,1376 5.288,1377 3.341,1378 5.308,1379 0.279,1380 0.129,1381 4.78,1382 2.446,1383 4.695,1384 0.181,1385 0.065,1386 4.215,1387 1.703,1388 3.652,1389 0.111,1390 0.034,1391 3.335,1392 1.133,1393 2.819,1394 0.076,1395 0.018,1396 2.483,1397 0.662,1398 0.632,1399 36.619,1400 0.348,1401 11.547,1402 1.534,1403 64,1404 307.915,1405 74.203,1406 266.138,1407 340.59,1408 244,1409 77,1410 232.86,1411 87.405,1412 227.656,1413 336.75,1414 214,1415 4}
{0 CHEMBL224998,1 1.466,2 15.353,3 6.715,4 45.087,5 139.4,6 7.309,7 0.553,8 4.256,9 4.384,10 3.813,11 3.852,12 5.246,13 3.803,14 4.823,15 5.002,16 4.177,17 4.277,18 5.772,19 4.193,20 5.13,21 5.373,22 4.244,23 4.401,24 6.007,25 4.287,26 5.121,27 5.362,28 4.196,29 4.344,30 6.068,31 4.231,32 5.088,33 5.334,34 4.051,35 4.31,36 5.959,37 4.174,38 5.1,39 5.355,40 3.996,41 4.304,42 5.912,43 4.137,44 5.101,45 5.378,46 3.864,47 4.261,48 5.834,49 4.057,50 4.996,51 5.276,52 3.715,53 4.138,54 5.719,55 3.927,56 0.057,57 0.934,58 13.864,59 6.037,60 7.606,61 8.331,62 0.176,63 1.558,64 26.573,65 10.816,66 21.479,67 15.167,68 0.279,69 1.965,70 41.035,71 14.631,72 37.219,73 20.776,74 0.486,75 1.958,76 40.413,77 13.573,78 53.401,79 19.34,80 0.348,81 1.863,82 38.077,83 13.515,84 45.252,85 19.135,86 0.353,87 1.82,88 39.812,89 14.517,90 43.431,91 20.5,92 0.355,93 1.746,94 43.38,95 15.397,96 41.678,97 21.596,98 0.318,99 1.53,100 41.871,101 14.075,102 38.753,103 19.668,104 5,105 52,106 0.232,107 0.566,108 0.726,109 0.844,110 0.878,111 0.893,112 3.56,113 1.009,114 -5.14,115 -5.04,116 -4.72,121 43.1,123 8,127 2,144 7,145 4,146 2,148 2,153 1,154 1,160 1,176 14,180 5,183 1,185 8,187 17,192 4,197 7,200 11,206 5,209 2,210 1,211 8,214 11,219 3,224 5,227 12,232 3,237 3,239 17,244 2,248 1,249 1,251 17,256 1,261 1,264 14,269 1,272 1,274 4,277 10,281 2082,282 23.604,283 23.604,284 23.604,285 23.604,286 23.604,287 21.043,288 19.322,289 14.323,290 23.946,291 18.818,292 18.818,293 18.818,294 18.818,295 18.818,296 14.805,297 18.741,298 6.849,299 19.401,300 4.557,301 2.436,302 1.426,303 0.677,304 0.462,305 0.369,306 4.273,308 1,312 1,313 1166,314 3.937,317 82.949,318 351.284,321 154.188,322 285.807,325 2.055,326 24.129,329 1,330 0.83,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.85,337 71.333,338 522,339 4.651,340 3.596,341 6.833,342 4.214,343 3.235,344 4.582,345 1.058,346 11.364,347 3.165,348 4.577,349 3.373,350 6.679,351 4.126,352 3.134,353 4.511,354 0.4,355 10.751,356 3.107,357 3.99,358 2.943,359 6.004,360 3.58,361 2.61,362 3.534,364 8.477,365 2.532,366 3.766,367 2.884,368 5.623,369 3.378,370 2.382,371 3.14,373 7.241,374 2.363,375 3.584,376 2.562,377 5.427,378 3.192,379 2.252,380 2.961,382 6.886,383 2.103,384 3.365,385 2.272,386 4.899,387 2.892,388 1.986,389 2.699,391 5.573,392 1.841,393 3.048,394 1.922,395 4.498,396 2.837,397 1.854,398 2.32,400 4.306,401 1.703,402 3.013,403 1.765,404 4.121,405 2.58,406 1.602,407 2.17,409 3.771,410 1.564,411 2.854,412 1.711,413 4.023,414 2.517,415 1.545,416 1.872,418 3.517,419 1.499,420 2.672,421 1.545,422 3.965,423 2.438,424 1.448,425 1.719,427 3.386,428 1.424,429 2.558,430 1.473,431 3.773,432 2.363,433 1.367,434 1.572,436 3.179,437 1.357,438 2.492,439 1.433,440 3.601,441 2.249,442 1.256,443 1.49,445 2.937,446 1.246,447 2.436,448 1.272,449 3.56,450 2.069,451 1.099,452 1.409,454 2.599,455 1.063,456 2.108,457 1.115,458 3.381,459 1.936,460 0.955,461 1.074,463 2.232,464 0.93,465 1.961,466 0.932,467 3.103,468 1.656,469 0.684,470 0.797,472 1.519,473 0.658,474 16.648,475 0.49,476 0.64,477 0.019,478 41.5,479 1.221,480 20,481 0.588,482 21.5,483 0.632,484 33.274,485 0.979,486 36.152,487 0.556,488 28.672,489 0.843,490 7.48,491 0.22,492 9.223,493 0.271,494 0.063,496 0.3,501 0.757,502 1.193,503 0.719,504 0.955,505 0.558,506 0.923,507 0.689,508 1.213,509 0.794,510 1.041,511 0.527,512 1.026,513 0.902,514 1.073,515 0.842,516 0.937,517 0.78,518 0.903,519 1.112,520 1.026,521 0.9,522 0.963,523 1.157,524 0.979,525 1.215,526 1.012,527 0.913,528 0.969,529 1.24,530 1.028,531 0.972,532 1.016,533 0.933,534 1.045,535 1.083,536 1.092,537 0.907,538 0.907,539 1.095,540 1.04,541 0.937,542 1.071,543 0.989,544 0.916,545 1.287,546 1.087,547 0.936,548 1.071,549 4.5,550 0.086,551 3.556,552 2.319,553 1.858,554 0.719,555 0.578,556 0.293,557 0.207,558 0.127,559 21369,560 50177,561 2.163,562 47.7,563 10,564 11,565 1,567 3,568 2,569 4,572 1.751,573 2.082,574 3.801,575 0.753,582 95.268,583 1.466,584 3.586,585 4.597,586 5.345,587 5.561,588 5.653,589 3.102,590 4.852,591 5.067,592 4.049,593 2271.75,594 8.828,595 38456.7,600 391.454,601 1.166,602 5.043,603 0.118,604 0.004,605 0.068,606 0.043,607 0.038,608 0.017,609 0.016,610 0.009,611 0.008,612 0.005,613 0.326,614 0.17,615 0.75,616 0.39,617 188.078,618 -0.044,619 -0.01,620 0.029,621 0.042,622 0.006,623 0.052,624 0.059,625 -0.11,626 0.006,627 -0.056,628 0.096,629 -0.048,630 0.001,631 -0.063,632 0.076,633 0.035,634 0.05,635 0.076,636 0.052,637 0.019,638 -0.012,639 -0.029,640 0.019,641 -0.036,642 -0.153,643 0.009,644 -0.076,645 -0.026,646 -0.1,647 -0.073,648 -0.05,649 -0.046,650 -0.052,651 -0.072,652 -0.074,653 -0.108,654 -0.044,655 0.007,656 -0.06,657 -0.035,658 -0.084,659 -0.062,660 -0.077,661 -0.026,662 -0.107,663 -0.059,664 -0.086,665 -0.049,666 1.673,667 5.503,668 0.676,669 36.647,670 0.991,671 1.122,672 3.914,673 15.321,674 0.677,675 3.664,676 3.97,677 4.277,678 4.575,679 4.812,680 4.883,681 4.977,682 5.069,683 5.043,684 4.927,685 9.181,686 0.631,687 475.08,688 3.664,689 5.198,690 6.057,691 6.936,692 7.816,693 8.706,694 9.595,695 10.49,696 11.384,697 12.282,698 6.2,703 1,705 1,706 1,708 1,714 4,715 8,716 1,717 1,720 5,722 21,729 1,734 1,740 1,741 65,743 22,744 2,745 38,747 69,748 28,749 17,750 5,751 7,752 1,756 5,757 9,758 1,767 4,770 8,772 18,773 10,777 1,782 1,786 1,793 31,794 4,795 3,796 6,797 1,802 4,808 0.4,809 1,822 1,824 1,828 1,829 4,832 1,833 2,859 2,865 1,868 34,876 10,877 2,892 1,893 1.5,896 1,901 16.333,902 11.426,903 7.528,904 4.413,907 4.151,908 1.499,909 1.026,910 7.364,911 12.462,912 3.922,913 4.541,914 5.194,915 5.839,916 6.402,917 6.742,918 7.09,919 7.437,920 7.534,921 7.444,922 0.9,923 54,924 12.628,926 5.397,927 0.026,929 7.538,931 24.914,933 21.151,936 2.038,937 69.278,941 329.591,942 129.393,943 69.593,944 39.149,945 25.145,948 129.393,949 393.884,950 69.593,952 42.498,953 75.381,954 64.646,955 39.461,956 13.915,957 317.82,958 39.149,959 329.591,960 198.985,961 25.145,962 39.149,964 282.506,965 72.229,968 64.185,969 100.004,970 73.945,972 329.591,973 94.737,974 168.542,977 329.591,978 54.012,979 75.381,980 52.807,981 81.079,982 329.591,983 94.737,984 168.542,986 0.571,987 0.338,988 0.195,989 0.109,990 25,991 10,992 0.13,993 9,994 3,995 1.261,996 4.729,997 308.664,998 0.261,999 23,1000 172.974,1005 23.196,1006 10.795,1007 5.263,1008 4.122,1009 77.952,1010 15.709,1011 4.904,1012 3.162,1015 5.324,1017 52.807,1018 592.87,1019 49.5,1024 12.503,1028 -0.006,1031 64.429,1032 72.959,1034 0.243,1035 0.595,1036 0.763,1037 0.888,1038 0.923,1039 0.939,1040 5.149,1041 1.602,1042 6.019,1043 4.306,1044 4.654,1045 5.228,1046 1.27,1047 6.834,1048 4.598,1049 6.345,1050 1.545,1051 7.571,1052 3.771,1053 4.111,1054 5.085,1056 7.758,1057 4.016,1058 7.656,1059 1.448,1060 9.233,1061 3.517,1062 6.232,1063 7.512,1064 1.27,1065 10.918,1066 6.136,1067 9.012,1068 1.367,1069 10.964,1070 3.386,1071 6.594,1072 8.282,1074 12.74,1075 6.478,1076 10.409,1077 1.256,1078 12.741,1079 3.179,1080 8.129,1081 10.155,1082 1.34,1083 15.401,1084 8.005,1085 11.834,1086 1.099,1087 14.549,1088 2.937,1089 8.925,1090 11.336,1092 17.571,1093 8.788,1094 13.282,1095 0.955,1096 16.38,1097 2.599,1098 10.224,1099 12.993,1100 1.423,1101 20.07,1102 10.075,1103 3.235,1104 0.684,1105 18.228,1106 2.232,1107 11.222,1108 14.36,1110 22.38,1111 11.06,1112 3.134,1113 11.364,1114 20.088,1115 1.519,1116 12.428,1117 15.931,1118 1.51,1119 24.821,1120 12.253,1121 2.61,1122 10.751,1123 21.957,1124 4.582,1125 13.516,1126 17.38,1128 27.189,1129 13.327,1130 2.382,1131 8.477,1132 23.833,1133 4.511,1134 14.688,1135 18.916,1136 1.599,1137 29.612,1138 14.484,1139 2.252,1140 7.241,1141 25.716,1142 3.534,1143 15.816,1144 20.402,1146 32.005,1147 15.596,1148 1.986,1149 6.886,1150 27.603,1151 3.14,1152 16.978,1153 21.924,1154 1.69,1155 34.421,1156 16.742,1157 1.854,1158 5.573,1159 29.494,1160 2.961,1161 18.124,1162 23.426,1164 36.825,1165 17.871,1166 19516,1167 30085,1168 26.235,1169 43.995,1170 56.34,1171 57.766,1172 57.555,1173 56.329,1174 56.124,1175 73.401,1176 2.917,1177 158.501,1178 54.37,1179 5.614,1180 5.596,1181 6.722,1182 5.255,1183 5.235,1184 7.582,1185 2.117,1186 18.902,1187 5.165,1188 11.421,1189 1.483,1190 1.52,1191 1.515,1192 1.482,1193 1.477,1194 1.932,1195 0.077,1196 4.171,1197 1.431,1198 4.14,1199 4.172,1200 4.132,1201 4.06,1202 7.429,1203 4.065,1204 4.099,1205 4.128,1206 4.08,1207 4.024,1208 5.039,1209 4.03,1210 3.761,1211 3.828,1212 3.778,1213 3.663,1214 4.954,1215 3.648,1216 3.735,1217 3.78,1218 3.605,1219 3.621,1220 4.685,1221 3.605,1222 3.564,1223 3.632,1224 3.461,1225 3.387,1226 4.302,1227 3.394,1228 3.426,1229 3.483,1230 3.395,1231 3.286,1232 4.267,1233 3.28,1234 3.289,1235 3.356,1236 3.263,1237 3.156,1238 4.174,1239 3.144,1240 3.182,1241 3.246,1242 3.104,1243 2.978,1244 4.132,1245 2.986,1246 0.122,1247 0.095,1248 0.18,1249 0.111,1250 0.085,1251 4.651,1252 0.121,1253 3.596,1254 0.028,1255 6.833,1256 0.299,1257 4.214,1258 0.083,1259 3.235,1260 4.582,1261 1.058,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.149,1267 2.158,1268 1.437,1269 2.159,1270 1.935,1271 1.913,1272 2.031,1273 2.017,1274 1.364,1275 2.022,1276 1.766,1277 1.711,1278 2.01,1279 1.942,1280 1.156,1281 1.967,1282 1.75,1283 1.702,1284 1.925,1285 1.863,1286 1.146,1287 1.892,1288 1.589,1289 1.54,1290 1.788,1291 1.806,1292 1.06,1293 1.799,1294 1.461,1295 1.391,1296 1.653,1297 1.672,1298 0.761,1299 1.68,1300 1.264,1301 1.211,1302 1.487,1303 1.477,1304 0.728,1305 1.484,1306 1.141,1307 1.069,1308 1.439,1309 1.35,1310 0.656,1311 1.379,1312 4.344,1314 5.652,1315 2.398,1316 7.166,1317 4.727,1318 8.786,1319 6.843,1320 10.466,1323 6.227,1328 10.548,1329 6.784,1340 41.003,1341 95.268,1342 233.099,1343 298.783,1344 347.454,1345 361.454,1346 367.454,1347 54.874,1348 8.311,1349 69.81,1350 69.81,1351 29,1352 12.807,1353 4.524,1354 3.644,1355 50.606,1356 195,1357 160,1358 0.123,1359 252.621,1360 429.16,1361 608.156,1362 64913,1363 1.5,1364 23.33,1365 0.686,1366 0.594,1367 23.83,1368 20.179,1369 16.704,1370 0.44,1371 0.336,1372 12.34,1373 16.062,1374 12.086,1375 9.993,1376 16.992,1377 12.775,1378 14.576,1379 0.28,1380 0.184,1381 14.984,1382 9.562,1383 12.543,1384 0.177,1385 0.098,1386 12.805,1387 6.985,1388 10.837,1389 0.113,1390 0.054,1391 11.072,1392 5.14,1393 8.932,1394 0.073,1395 0.03,1396 9.164,1397 3.72,1398 0.204,1399 105.744,1400 0.195,1401 32.445,1402 0.309,1403 180,1404 430.583,1405 204.95,1406 457.302,1407 631.31,1408 430,1409 213,1410 452.668,1411 232.745,1412 470.953,1413 695.18,1414 448,1415 7.481}
{0 CHEMBL225021,1 1.435,2 16.917,3 7.206,4 51.922,5 148.551,6 7.086,7 0.525,8 4.335,9 4.466,10 3.863,11 3.924,12 5.3,13 3.869,14 4.91,15 5.096,16 4.217,17 4.349,18 5.825,19 4.255,20 5.222,21 5.471,22 4.267,23 4.476,24 6.062,25 4.35,26 5.214,27 5.463,28 4.196,29 4.433,30 6.073,31 4.3,32 5.194,33 5.45,34 4.078,35 4.404,36 5.995,37 4.25,38 5.204,39 5.47,40 4.066,41 4.389,42 5.982,43 4.213,44 5.194,45 5.471,46 3.998,47 4.322,48 5.996,49 4.131,50 5.08,51 5.358,52 3.846,53 4.188,54 5.905,55 3.995,56 0.067,57 1.013,58 15.717,59 6.75,60 7.984,61 9.436,62 0.197,63 1.691,64 29.903,65 12.056,66 21.727,67 17.089,68 0.339,69 2.129,70 45.233,71 16.032,72 40.495,73 22.955,74 0.454,75 2.125,76 44.549,77 15.117,78 48.347,79 21.872,80 0.371,81 2.047,82 42.685,83 15.328,84 41.675,85 22.03,86 0.368,87 1.996,88 44.313,89 16.411,90 40.138,91 23.411,92 0.414,93 1.882,94 47.137,95 16.61,96 48.602,97 23.353,98 0.415,99 1.647,100 44.853,101 14.66,102 52.698,103 20.523,104 5,105 54,106 0.223,107 0.54,108 0.718,109 0.855,110 0.894,111 0.903,112 3.615,113 1.03,114 -5.26,115 -5.15,116 -4.81,121 42.3,123 10,127 2,144 7,145 4,146 2,148 2,153 1,154 1,160 1,176 16,180 5,183 1,185 8,187 19,192 4,197 8,200 13,206 5,209 1,211 9,214 15,219 2,224 3,227 16,232 3,236 1,237 2,239 20,244 2,247 1,248 1,249 1,251 14,256 3,259 1,261 5,264 10,269 1,274 5,277 5,281 2536,282 24.966,283 24.966,284 24.966,285 24.966,286 24.966,287 22.342,288 23.493,289 15.222,290 25.304,291 19.817,292 19.817,293 19.817,294 19.817,295 19.817,296 15.708,297 21.474,298 7.291,299 20.398,300 4.715,301 2.675,302 1.531,303 0.648,304 0.394,305 0.338,306 4.327,308 1,312 1,313 1356,314 4.183,317 93.414,318 390.928,321 173,322 317.081,325 2.44,326 24.738,329 0.75,330 0.67,331 0.67,332 0.7,333 0.5,334 0.67,335 0.5,336 0.64,337 75.333,338 609,339 4.651,340 3.575,341 6.833,342 4.214,343 3.235,344 4.582,345 1.907,346 11.364,347 3.165,348 4.523,349 3.373,350 6.526,351 4.048,352 3.061,353 4.473,354 0.4,355 10.264,356 3.02,357 3.99,358 3.134,359 6.004,360 3.58,361 2.61,362 3.534,363 0.149,364 8.477,365 2.532,366 3.661,367 2.943,368 5.427,369 3.39,370 2.383,371 2.961,373 6.886,374 2.388,375 3.584,376 2.562,377 5.138,378 3.192,379 2.252,380 2.84,382 6.149,383 2.103,384 3.411,385 2.272,386 5.025,387 3.026,388 2.035,389 2.752,391 5.941,392 2.015,393 3.365,394 2.212,395 4.899,396 2.886,397 1.984,398 2.699,400 5.573,401 1.778,402 3.046,403 1.906,404 4.192,405 2.779,406 1.789,407 2.318,409 3.785,410 1.702,411 2.836,412 1.67,413 4.121,414 2.519,415 1.546,416 1.852,418 3.709,419 1.501,420 2.676,421 1.546,422 3.972,423 2.44,424 1.457,425 1.745,427 3.393,428 1.425,429 2.654,430 1.437,431 3.767,432 2.357,433 1.378,434 1.695,436 3.18,437 1.347,438 2.491,439 1.43,440 3.61,441 2.252,442 1.259,443 1.49,445 2.95,446 1.248,447 2.394,448 1.417,449 3.586,450 2.242,451 1.248,452 1.388,454 2.818,455 1.238,456 2.281,457 1.176,458 3.441,459 2.02,460 1.041,461 1.227,463 2.391,464 1.015,465 2.034,466 1.146,467 3.253,468 1.865,469 0.885,470 0.982,472 2.016,473 0.859,474 17.648,475 0.49,476 0.657,477 0.018,478 42.5,479 1.181,480 20,481 0.556,482 22.5,483 0.625,484 37.022,485 1.028,486 38.752,487 0.546,488 29.092,489 0.808,490 7.572,491 0.21,492 10.115,493 0.281,494 0.059,496 0.283,501 0.759,502 1.212,503 0.75,504 0.989,505 0.559,506 0.958,507 0.688,508 1.231,509 0.821,510 1.071,511 0.54,512 1.056,513 1.012,514 1.043,515 0.888,516 0.932,517 0.964,518 0.924,519 1.163,520 1.033,521 0.949,522 0.977,523 1.14,524 1.012,525 1.132,526 0.998,527 0.924,528 0.976,529 1.137,530 1.041,531 0.792,532 0.997,533 0.871,534 1.034,535 0.872,536 1.054,537 0.954,538 0.965,539 1.022,540 1.029,541 1.147,542 1.019,543 1.235,544 0.961,545 1.258,546 1.056,547 1.357,548 1.024,549 5,550 0.135,551 3.556,552 2.292,553 1.573,554 0.747,555 0.605,556 0.396,557 0.204,558 0.143,559 26123,560 58759,561 2.154,562 49.3,563 12,564 11,565 1,567 3,568 4,569 4,572 1.764,573 2.077,574 3.929,575 0.718,582 101.9,583 1.435,584 3.474,585 4.619,586 5.502,587 5.755,588 5.812,589 3.253,590 4.781,591 5.148,592 4.206,593 2649.94,594 8.986,595 48110.4,600 436.632,601 1.135,602 5.128,603 0.125,604 0.005,605 0.066,606 0.042,607 0.032,608 0.017,609 0.015,610 0.011,611 0.007,612 0.005,613 0.325,614 0.17,615 0.63,616 0.375,617 204.485,618 -0.036,619 -0.011,620 0.031,621 0.038,622 0.016,623 0.049,624 0.064,625 -0.12,626 0.001,627 -0.067,628 0.089,629 -0.059,630 -0.045,631 -0.028,632 0.037,633 0.041,634 -0.028,635 0.055,636 -0.069,637 0.011,638 -0.059,639 -0.033,640 -0.084,641 -0.058,642 -0.145,643 0.02,644 -0.083,645 -0.025,646 -0.129,647 -0.076,648 0.049,649 -0.034,650 0.008,651 -0.057,652 0.012,653 -0.065,654 0.073,655 -0.051,656 0.014,657 -0.035,658 0.023,659 -0.024,660 -0.022,661 -0.057,662 -0.073,663 -0.051,664 -0.015,665 -0.033,666 1.512,667 5.247,668 0.639,669 43.802,670 0.989,671 1.124,672 4.029,673 16.235,674 0.669,675 3.714,676 4.007,677 4.29,678 4.575,679 4.804,680 4.875,681 4.984,682 5.081,683 5.069,684 4.956,685 10.097,686 0.621,687 503.14,688 3.714,689 5.242,690 6.089,691 6.959,692 7.828,693 8.709,694 9.588,695 10.476,696 11.362,697 12.254,698 5.6,703 1,705 1,706 1,708 1,714 4,715 8,716 1,717 1,720 5,722 21,734 1,740 1,741 71,743 22,744 2,745 40,747 75,748 30,749 17,750 5,751 7,756 5,757 9,758 1,767 4,770 10,772 18,773 12,777 1,782 1,786 1,793 35,794 4,795 3,796 6,797 1,802 4,808 0.4,809 1,822 1,824 1,828 1,829 4,832 1,833 2,843 1,859 2,865 1,868 36,876 12,877 2,892 1,893 1.4,896 1,901 17.333,902 12.426,903 8,904 4.851,907 4.104,908 1.49,909 1.015,910 8.452,911 12.471,912 3.961,913 4.562,914 5.182,915 5.811,916 6.363,917 6.691,918 7.052,919 7.4,920 7.507,921 7.391,922 0.909,923 55,924 13.382,926 5.669,927 0.026,929 7.508,931 26.547,933 22.483,936 2.008,937 72.278,941 376.675,942 134.462,943 69.593,944 39.149,945 25.145,948 134.462,949 440.969,950 69.593,952 47.567,953 75.381,954 64.646,955 39.461,956 13.915,957 364.904,958 39.149,959 376.675,960 204.055,961 25.145,962 39.149,964 329.591,965 72.229,968 69.254,969 100.004,970 73.945,972 376.675,973 94.737,974 173.611,977 376.675,978 59.081,979 75.381,980 52.807,981 81.079,982 376.675,983 94.737,984 173.611,986 0.568,987 0.33,988 0.187,989 0.104,990 25,991 10,992 0.147,993 11,994 3,995 1.261,996 4.974,997 325.137,998 0.261,999 23,1000 186.117,1005 25.106,1006 12.119,1007 6.241,1008 4.571,1009 77.952,1010 16.408,1011 4.905,1012 3.307,1015 5.88,1017 52.807,1018 645.023,1019 51.5,1024 12.247,1028 0.154,1031 70.196,1032 79.79,1034 0.233,1035 0.565,1036 0.751,1037 0.895,1038 0.936,1039 0.945,1040 5.183,1041 1.789,1042 6.043,1043 5.573,1044 4.691,1045 5.25,1046 1.997,1047 6.834,1048 4.637,1049 6.37,1050 1.546,1051 7.579,1052 3.785,1053 4.111,1054 5.085,1055 1.593,1056 7.711,1057 4.016,1058 7.672,1059 1.457,1060 9.224,1061 3.709,1062 6.248,1063 7.509,1064 2.907,1065 10.858,1066 6.152,1067 9.019,1068 1.378,1069 10.937,1070 3.393,1071 6.567,1072 8.26,1073 3.032,1074 12.65,1075 6.444,1076 10.405,1077 1.259,1078 12.697,1079 3.18,1080 8.113,1081 10.134,1082 4.038,1083 15.3,1084 7.984,1085 11.821,1086 1.248,1087 14.491,1088 2.95,1089 8.874,1090 11.303,1091 4.409,1092 17.454,1093 8.724,1094 13.259,1095 1.041,1096 16.308,1097 2.818,1098 10.175,1099 12.961,1100 5.25,1101 19.943,1102 10.014,1103 3.235,1104 0.885,1105 18.144,1106 2.391,1107 11.15,1108 14.321,1109 5.75,1110 22.243,1111 10.969,1112 3.061,1113 11.364,1114 19.993,1115 2.016,1116 12.353,1117 15.891,1118 6.501,1119 24.678,1120 12.158,1121 2.61,1122 10.264,1123 21.853,1124 4.582,1125 13.426,1126 17.336,1127 7.068,1128 27.039,1129 13.211,1130 2.383,1131 8.477,1132 23.721,1133 4.473,1134 14.594,1135 18.87,1136 7.771,1137 29.457,1138 14.362,1139 2.252,1140 6.886,1141 25.596,1142 3.534,1143 15.712,1144 20.352,1145 8.374,1146 31.845,1147 15.459,1148 2.035,1149 6.149,1150 27.477,1151 2.961,1152 16.869,1153 21.872,1154 9.051,1155 34.259,1156 16.597,1157 1.984,1158 5.941,1159 29.362,1160 2.84,1161 18.007,1162 23.371,1163 9.674,1164 36.661,1165 17.715,1166 23881,1167 35995,1168 27.622,1169 47.518,1170 58.685,1171 60.087,1172 59.889,1173 58.754,1174 58.596,1175 75.884,1176 4.912,1177 162.905,1178 56.847,1179 5.621,1180 5.575,1181 6.695,1182 5.255,1183 5.235,1184 7.582,1185 3.306,1186 18.902,1187 5.165,1188 11.912,1189 1.467,1190 1.502,1191 1.497,1192 1.469,1193 1.465,1194 1.897,1195 0.123,1196 4.073,1197 1.421,1198 4.142,1199 4.175,1200 4.132,1201 4.064,1202 7.429,1203 4.068,1204 4.099,1205 4.129,1206 4.074,1207 4.027,1208 5.04,1209 4.031,1210 3.777,1211 3.839,1212 3.778,1213 3.663,1214 4.966,1215 3.648,1216 3.736,1217 3.78,1218 3.651,1219 3.615,1220 4.685,1221 3.609,1222 3.651,1223 3.711,1224 3.506,1225 3.515,1226 4.313,1227 3.503,1228 3.467,1229 3.538,1230 3.403,1231 3.306,1232 4.274,1233 3.309,1234 3.369,1235 3.435,1236 3.328,1237 3.222,1238 4.174,1239 3.216,1240 3.245,1241 3.307,1242 3.18,1243 3.099,1244 4.128,1245 3.088,1246 0.116,1247 0.089,1248 0.171,1249 0.105,1250 0.081,1251 4.651,1252 0.115,1253 3.575,1254 0.048,1255 6.833,1256 0.284,1257 4.214,1258 0.079,1259 3.235,1260 4.582,1261 1.907,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.149,1267 2.158,1268 1.436,1269 2.159,1270 1.942,1271 1.919,1272 2.047,1273 2.02,1274 1.336,1275 2.03,1276 1.759,1277 1.71,1278 1.994,1279 1.948,1280 1.293,1281 1.963,1282 1.75,1283 1.698,1284 1.926,1285 1.869,1286 1.147,1287 1.894,1288 1.696,1289 1.638,1290 1.912,1291 1.86,1292 1.1,1293 1.884,1294 1.487,1295 1.428,1296 1.707,1297 1.72,1298 0.957,1299 1.718,1300 1.37,1301 1.302,1302 1.599,1303 1.59,1304 0.757,1305 1.603,1306 1.226,1307 1.169,1308 1.462,1309 1.418,1310 0.747,1311 1.43,1312 4.394,1314 5.694,1315 2.398,1316 7.192,1317 4.727,1318 8.795,1319 6.823,1320 10.46,1323 6.232,1328 11.766,1329 6.807,1340 44.057,1341 101.9,1342 246.677,1343 327.961,1344 390.632,1345 408.632,1346 412.632,1347 60.358,1348 8.367,1349 69.81,1350 69.81,1351 29,1352 12.783,1353 4.524,1354 3.644,1355 55.187,1356 227,1357 190,1358 0.114,1359 271.806,1360 463.76,1361 654.967,1362 73045,1363 1.4,1364 24.744,1365 0.687,1366 0.6,1367 25.244,1368 21.593,1369 17.687,1370 0.442,1371 0.343,1372 13.297,1373 17.04,1374 13.015,1375 10.754,1376 17.975,1377 13.732,1378 15.377,1379 0.285,1380 0.19,1381 15.785,1382 10.268,1383 12.965,1384 0.18,1385 0.104,1386 13.227,1387 7.462,1388 11.076,1389 0.115,1390 0.057,1391 11.311,1392 5.501,1393 9.052,1394 0.075,1395 0.033,1396 9.284,1397 3.975,1398 0.192,1399 111.643,1400 0.19,1401 34.311,1402 0.282,1403 188,1404 438.583,1405 212.95,1406 465.37,1407 640.71,1408 438,1409 220,1410 456.668,1411 239.246,1412 474.811,1413 696.64,1414 452,1415 9.705}
{0 CHEMBL225169,1 1.691,2 6.063,3 2.688,4 7.225,5 64.658,6 10.774,7 0.353,8 3.358,9 3.447,10 3.245,11 3.012,12 4.565,13 2.977,14 3.858,15 3.999,16 3.71,17 3.393,18 5.054,19 3.349,20 4.054,21 4.176,22 3.791,23 3.495,24 5.505,25 3.427,26 4.163,27 4.391,28 3.644,29 3.404,30 5.337,31 3.315,32 3.889,33 4.017,34 3.772,35 3.213,36 5.408,37 3.162,38 3.772,39 3.954,40 3.287,41 2.956,42 5.156,43 2.819,44 3.409,45 3.64,46 2.529,47 2.563,48 4.493,49 2.297,50 2.829,51 3.166,52 2.694,53 2.057,54 3.499,55 1.721,56 0.033,57 0.326,58 1.718,59 2.222,60 7.191,61 2.574,62 0.14,63 0.546,64 6.536,65 3.888,66 14.121,67 4.533,68 0.251,69 0.626,70 14.283,71 5.198,72 46.138,73 5.581,74 0.301,75 0.707,76 21.206,77 6.115,78 41.898,79 6.881,80 0.257,81 0.479,82 10.352,83 4.391,84 45.802,85 4.189,86 0.268,87 0.428,88 10.116,89 4.211,90 53.022,91 4.228,92 0.184,93 0.291,94 16.217,95 3.545,96 33.541,97 3.694,98 0.065,99 0.164,100 8.213,101 2.248,102 11.734,103 2.893,104 28,105 25,106 0.335,107 0.703,108 0.829,109 0.865,110 0.865,111 0.865,112 2.855,113 0.988,114 -3.99,115 -3.94,116 -3.73,119 1,121 46.2,122 1,127 1,136 1,138 1,144 3,145 1,146 2,159 1,160 1,176 4,179 1,180 4,187 5,191 2,192 6,200 4,206 4,214 2,219 7,227 6,232 3,239 4,251 1,264 2,281 222,282 10.207,283 10.207,284 10.207,285 10.207,286 10.207,287 9.089,288 13.003,289 5.825,290 10.419,291 8.346,292 8.346,293 8.346,294 8.346,295 8.346,296 6.499,297 15.664,298 2.752,299 8.727,300 3.009,301 1.153,302 0.52,303 0.337,304 0.337,305 0.337,306 3.493,311 1,312 1,313 196,314 2.646,317 30.382,318 36.655,321 56.891,325 0.961,326 21.431,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 34.25,338 97,339 4.601,340 3.983,341 6.977,342 4.302,343 3.316,344 4.171,345 1.246,346 11.765,347 3.271,348 3.801,349 3.032,350 5.7,351 3.372,352 2.438,353 3.206,354 0.802,355 7.434,356 2.288,357 3.581,358 2.954,359 5.55,360 3.232,361 2.238,362 2.758,363 0.242,364 6.69,365 2.203,366 3.322,367 2.702,368 4.913,369 2.898,370 1.931,371 2.555,373 5.523,374 1.846,375 3.158,376 2.467,377 4.584,378 2.733,379 1.775,380 2.283,382 4.758,383 1.567,384 2.451,385 1.575,386 3.728,387 1.965,388 0.97,389 1.364,391 2.462,392 0.951,393 1.952,394 1.187,395 3.039,396 1.377,397 0.294,398 0.441,400 0.689,401 0.309,402 1.152,403 0.394,404 2.584,405 0.713,406 -0.161,407 -0.196,409 -0.388,410 -0.101,411 0.691,412 0.01,413 2.361,414 0.207,415 -0.761,416 -0.929,418 -2,419 -0.601,420 0.627,421 -0.156,422 2.198,423 0.138,424 -0.833,425 -1.109,427 -2.03,428 -0.829,429 0.29,430 -0.69,431 1.742,433 -1,434 -1.41,436 -2.348,437 -1,438 0.182,439 -0.863,440 1.467,441 -0.239,442 -1.237,443 -1.627,445 -3.256,446 -1.058,447 -0.126,448 -1.015,449 1.241,450 -0.597,451 -1.419,452 -2,454 -3.792,455 -1.492,456 -0.5,457 -1.316,458 1.113,459 -0.758,460 -1.728,461 -2,463 -5.406,464 -1.703,465 -0.526,466 -1.602,467 1.087,468 -0.967,469 -1.892,470 -2.219,471 -0.302,472 -5.814,473 -1.771,474 8.4,475 0.525,476 0.583,477 0.036,478 20.25,479 1.266,480 10.5,481 0.656,482 9.75,483 0.609,484 12.026,485 0.752,486 16.2,487 0.623,488 12.578,489 0.786,490 3.863,491 0.241,492 3.64,493 0.227,494 0.357,496 0.405,501 0.553,502 1.209,503 0.467,504 0.765,505 0.559,506 0.811,507 0.608,508 0.988,509 0.535,510 0.652,511 0.555,512 0.682,513 0.75,514 1.33,515 0.994,516 1.168,517 0.769,518 1.16,519 1.089,520 0.67,521 0.658,522 0.633,523 0.953,524 0.673,525 1.408,526 1.094,527 0.791,528 1.064,529 1.614,530 1.042,531 1.417,532 1.05,533 0.673,534 1.015,535 1.615,536 1.224,537 1.343,538 0.953,539 1.473,540 1.267,541 1.444,542 1.395,543 0.187,544 0.546,545 1.242,546 0.674,547 0.034,548 0.635,549 4,551 2.222,552 2.049,553 1.053,554 0.806,555 0.122,556 0.118,559 1584,560 5914,561 1.923,562 38.5,563 3,564 7,572 1.559,573 1.714,574 2.621,575 -0.734,579 1,582 43.973,583 1.691,584 3.548,585 4.181,586 4.364,587 4.364,588 4.364,589 2.127,590 3.156,591 3.968,592 2.705,593 324.566,594 6.722,595 2735.85,597 1,599 1,600 122.211,601 1.546,602 3.873,603 0.235,605 0.089,606 0.082,607 0.05,608 0.045,609 0.014,610 0.039,613 0.554,614 1,615 1,616 1.274,617 62.52,618 -0.015,619 -0.167,620 0.001,621 -0.038,622 -0.07,623 -0.016,624 0.08,625 0.082,626 0.05,627 0.136,628 0.033,629 0.175,630 0.175,631 -0.329,632 -0.108,633 -0.279,634 0.141,635 -0.299,636 -0.114,637 0.346,638 0.047,639 0.259,640 -0.019,641 0.318,642 -0.069,643 -0.184,644 0.052,645 -0.15,646 -0.103,647 -0.153,648 -0.166,649 -0.17,650 0.026,651 -0.115,652 -0.187,653 -0.267,654 -0.292,655 -0.103,656 -0.186,657 -0.137,658 -0.346,659 -0.293,660 0.285,661 0.291,662 0.28,663 0.613,664 0.287,665 0.724,666 2.143,667 4.729,668 0.563,669 9.25,670 1.016,671 1.109,672 2.757,673 7.601,674 0.734,675 2.89,676 3.258,677 3.526,678 3.829,679 4.043,680 4.007,681 3.97,682 3.85,683 3.258,684 2.639,685 3.794,686 0.697,687 280.13,688 2.89,689 4.443,690 5.303,691 6.213,692 7.107,693 8.023,694 8.929,695 9.846,696 10.757,697 11.675,698 3.8,705 1,715 3,720 3,722 6,727 1,740 1,741 26,743 9,744 1,745 17,746 1,747 27,748 12,749 6,750 3,751 3,752 2,756 2,757 3,763 1,772 10,773 2,777 3,778 1,782 2,786 3,790 1,793 10,794 3,796 4,797 1,802 1,808 0.5,809 2,828 1,829 1,832 1,844 1,848 1,850 1,859 1,863 1,864 1,868 16,876 1,881 1,892 1,893 7.7,896 2,901 9.333,902 5.176,903 3.472,904 1.451,907 1.547,908 1.259,909 0.969,910 2.786,911 7.528,912 3.178,913 3.75,914 4.266,915 4.786,916 5.317,917 5.453,918 5.656,919 5.764,920 5.395,921 4.961,922 1,923 25,924 5.921,926 2.549,927 0.026,929 8.078,931 10.936,933 8.844,936 2.578,937 41.25,938 0.002,941 117.711,942 77.148,943 49.078,945 50.29,948 123.102,949 168.001,950 3.124,951 8.825,952 20.997,953 28.429,954 60.128,955 12.183,957 117.711,958 45.954,959 117.711,960 80.272,961 50.29,963 45.954,964 117.711,965 50.29,968 14.055,969 66.217,971 45.954,972 117.711,973 53.414,974 123.102,977 117.711,978 24.127,979 40.378,980 45.954,981 66.057,982 117.711,983 53.414,984 123.102,986 0.596,987 0.341,988 0.192,989 0.12,990 13,991 7,992 0.074,993 2,994 1,995 1.222,996 2.663,997 110.242,998 0.222,999 9,1000 64,1005 11.245,1006 3.965,1007 1.896,1009 53.414,1010 5.259,1015 1.923,1018 294.227,1019 23,1020 3.754,1024 23.428,1028 -0.078,1031 26.404,1032 28.835,1034 0.36,1035 0.755,1036 0.889,1037 0.928,1038 0.928,1039 0.928,1040 4.437,1041 -0.161,1042 5.342,1043 0.689,1044 3.932,1045 4.431,1046 1.677,1047 6.221,1048 3.863,1049 5.671,1050 -0.761,1051 6.954,1052 -0.388,1053 3.761,1054 4.425,1055 0.325,1056 7.265,1057 3.644,1058 7.001,1059 -0.833,1060 8.665,1061 -2,1062 5.587,1063 6.577,1064 1.785,1065 10.413,1066 5.478,1067 8.362,1068 -1,1069 10.433,1070 -2.03,1071 6.176,1072 7.309,1073 0.74,1074 12.299,1075 6.05,1076 9.754,1077 -1.237,1078 12.237,1079 -2.348,1080 7.577,1081 9.032,1082 1.998,1083 15.005,1084 7.447,1085 11.169,1086 -1.419,1087 14.068,1088 -3.256,1089 8.514,1090 10.111,1091 1.202,1092 17.249,1093 8.379,1094 12.604,1095 -1.728,1096 15.921,1097 -3.792,1098 9.771,1099 11.671,1100 2.273,1101 19.8,1102 9.628,1103 3.316,1104 -1.892,1105 17.79,1106 -5.406,1107 10.862,1108 12.922,1109 1.683,1110 22.185,1111 10.713,1112 2.438,1113 11.765,1114 19.674,1115 -5.814,1116 12.074,1117 14.413,1118 2.592,1119 24.68,1120 11.914,1121 2.238,1122 7.434,1123 21.568,1124 4.171,1125 13.228,1126 15.75,1127 2.166,1128 27.116,1129 13.06,1130 1.931,1131 6.69,1132 23.472,1133 3.206,1134 14.427,1135 17.208,1136 2.942,1137 29.592,1138 14.248,1139 1.775,1140 5.523,1141 25.383,1142 2.758,1143 15.608,1144 18.59,1145 2.646,1146 32.047,1147 15.418,1148 0.97,1149 4.758,1150 27.3,1151 2.555,1152 16.804,1153 20.032,1154 3.314,1155 34.516,1156 16.603,1157 0.294,1158 2.462,1159 29.223,1160 2.283,1161 17.995,1162 21.436,1163 3.121,1164 36.977,1165 17.781,1166 1716,1167 3393,1168 10.463,1169 19.074,1170 26.79,1171 28.521,1172 27.807,1173 26.254,1174 25.926,1175 33.555,1176 4.579,1177 78.643,1178 24.869,1179 5.488,1180 5.983,1181 6.261,1182 5.302,1183 5.316,1184 7.171,1185 2.362,1186 18.984,1187 5.271,1188 9.979,1189 1.576,1190 1.678,1191 1.636,1192 1.544,1193 1.525,1194 1.974,1195 0.269,1196 4.626,1197 1.463,1198 4.022,1199 4.04,1200 6.88,1201 3.944,1202 7.497,1203 3.944,1204 3.653,1205 3.704,1206 3.953,1207 3.558,1208 7.352,1209 3.543,1210 3.421,1211 3.428,1212 3.506,1213 3.278,1214 4.74,1215 3.286,1216 2.987,1217 3.05,1218 3.289,1219 2.843,1220 4.65,1221 2.825,1222 2.776,1223 2.884,1224 2.846,1225 2.593,1226 3.894,1227 2.544,1228 2.656,1229 2.754,1230 2.519,1231 2.489,1232 3.621,1233 2.479,1234 2.617,1235 2.603,1236 2.395,1237 2.412,1238 3.566,1239 2.391,1240 2.32,1241 2.322,1242 2.367,1243 1.891,1244 3.302,1245 1.976,1246 0.271,1247 0.234,1248 0.41,1249 0.253,1250 0.195,1251 4.601,1252 0.245,1253 3.983,1254 0.073,1255 6.977,1256 0.692,1257 4.302,1258 0.192,1259 3.316,1260 4.171,1261 1.246,1262 11.765,1263 3.271,1264 1.88,1265 1.863,1266 1.951,1267 1.953,1268 1.121,1269 1.962,1270 1.689,1271 1.642,1272 1.876,1273 1.84,1274 0.985,1275 1.854,1276 1.343,1277 1.336,1278 1.458,1279 1.59,1280 0.548,1281 1.545,1282 0.997,1283 0.951,1284 1.29,1285 1.22,1286 0.291,1287 1.247,1288 0.805,1289 0.736,1290 1.176,1291 1.07,1292 0.096,1293 1.117,1294 0.774,1295 0.682,1296 0.976,1297 0.949,1298 0.026,1299 0.981,1300 0.556,1301 0.471,1302 0.817,1303 0.805,1305 0.831,1308 0.312,1309 0.417,1311 0.345,1312 3.555,1314 4.905,1315 2.398,1316 6.444,1317 4.949,1318 8.076,1319 7.195,1320 9.762,1321 3.283,1322 1.828,1328 0.388,1333 1.465,1340 18.11,1341 43.973,1342 92.237,1343 108.702,1344 113.457,1345 113.457,1346 113.457,1347 31.389,1348 5.981,1349 39.07,1350 39.07,1351 11,1352 12.186,1353 3.322,1354 2.807,1355 25.709,1356 37,1357 32,1358 0.387,1359 120.228,1360 212.56,1361 285.116,1362 2182,1363 3.8,1364 11.87,1365 0.742,1366 0.648,1367 12.87,1368 10.374,1369 7.503,1370 0.441,1371 0.329,1372 4.801,1373 6.715,1374 4.572,1375 3.813,1376 8.08,1377 5.599,1378 7.258,1379 0.29,1380 0.19,1381 8.074,1382 4.755,1383 5.691,1384 0.172,1385 0.087,1386 6.215,1387 2.855,1388 4.688,1389 0.104,1390 0.046,1391 5.127,1392 2.061,1393 4.011,1394 0.072,1395 0.027,1396 4.593,1397 1.485,1398 0.558,1399 55.081,1400 0.309,1401 15.6,1402 1.216,1403 84,1404 275.771,1405 156.936,1406 303.177,1407 391.43,1408 278,1409 100,1410 251.527,1411 136.578,1412 269.505,1413 396.55,1414 251,1415 4}
{0 CHEMBL225175,1 1.675,2 4.615,3 0.319,4 0.102,5 44.693,6 8.859,7 0.429,8 3.151,9 3.227,10 2.84,11 2.688,12 4.466,13 2.72,14 3.627,15 3.737,16 3.21,17 3.054,18 4.973,19 3.078,20 3.802,21 3.935,22 3.307,23 3.094,24 5.373,25 3.124,26 3.767,27 3.899,28 3.072,29 2.903,30 5.384,31 2.921,32 3.568,33 3.729,34 2.523,35 2.407,36 5.264,37 2.412,38 2.943,39 3.191,40 1.241,41 1.633,42 4.212,43 1.506,44 1.908,45 2.251,46 0.202,47 0.758,48 2.565,49 0.548,50 0.635,51 0.899,52 0.007,53 0.135,54 0.693,55 0.067,56 0.105,57 0.277,58 2.774,59 1.722,60 18.423,61 1.681,62 0.252,63 0.443,64 5.45,65 2.633,66 29.869,67 2.725,68 0.331,69 0.488,70 7.54,71 3.352,72 60.151,73 3.766,74 0.365,75 0.435,76 7.554,77 3.206,78 65.454,79 3.288,80 0.44,81 0.307,82 7.93,83 2.507,84 82.352,85 2.394,86 0.239,87 0.152,88 5.48,89 1.421,90 44.421,91 1.64,92 0.067,93 0.05,94 2.268,95 0.529,96 11.367,97 0.863,98 0.009,99 0.008,100 0.427,101 0.091,102 1.583,103 0.18,104 11,105 20,106 0.356,107 0.707,108 0.792,109 0.877,110 0.898,111 0.898,112 2.673,113 0.818,114 -2.12,115 -2.16,116 -2.15,121 45,128 1,144 4,145 1,146 1,159 1,160 1,176 4,179 1,180 3,183 1,187 4,191 2,192 4,200 2,206 5,209 1,211 2,219 3,222 1,224 2,237 1,281 111,282 8.768,283 8.768,284 8.768,285 8.768,286 8.768,287 7.882,288 9.862,289 5.023,290 8.882,291 6.79,292 6.79,293 6.79,294 6.79,295 6.79,296 5.327,297 12.315,298 2.225,299 6.916,300 2.647,301 1,302 0.6,303 0.2,304 0.1,305 0.1,306 3.302,311 1,312 1,313 123,314 1.871,317 21.959,318 27.227,321 41.824,325 0.722,326 22.654,329 1,330 0.83,331 0.83,332 0.4,334 1,335 1,336 0.72,337 29.5,338 60,339 4.582,340 3.979,341 6.965,342 4.287,343 3.3,344 4.128,345 1.24,346 11.701,347 3.262,348 3.606,349 2.987,350 5.622,351 3.173,352 2.17,353 2.966,354 0.564,355 6.952,356 2.183,357 3.345,358 2.773,359 5.537,360 3.074,361 2.084,362 2.48,364 6.594,365 2.03,366 2.842,367 1.972,368 3.735,369 2.361,370 1.354,371 1.97,373 2.959,374 1.36,375 2.453,376 1.365,377 3.64,378 2.006,379 1.034,380 1.391,382 2.421,383 0.998,384 2.084,385 1.291,386 3.102,387 1.579,388 0.566,389 0.752,391 1.035,392 0.554,393 1.168,394 0.663,395 2.429,396 0.814,397 -0.17,398 -0.227,400 -0.297,401 -0.166,402 0.736,403 -0.018,404 2.233,405 0.298,406 -0.703,407 -0.918,409 -1.602,410 -0.693,411 0.54,412 -0.723,413 2,414 0.073,415 -0.922,416 -1.321,418 -2.194,419 -0.916,420 0.144,421 -0.828,422 1.466,423 -0.256,424 -1.345,425 -1.819,427 -3.427,428 -1.447,429 -0.449,430 -1.223,431 1.276,432 -0.667,433 -1.631,434 -2,436 -4.672,437 -1.555,438 -0.5,439 -1.567,440 1.176,441 -0.904,442 -1.845,443 -2.18,445 -5.292,446 -1.751,447 -0.711,448 -1.811,449 0.497,450 -0.937,451 -1.894,452 -2.222,453 -0.694,454 -7.011,455 -1.86,456 -0.839,457 -2,458 0.321,459 -1,460 -2,461 -3,462 -1.109,463 -7.169,464 -2,474 5.9,475 0.454,476 0.333,477 0.026,478 18,479 1.385,480 9.5,481 0.731,482 8.5,483 0.654,484 6.369,485 0.49,486 13.9,487 0.695,488 11.33,489 0.872,490 3.83,491 0.295,492 2.423,493 0.186,494 0.169,496 0.407,501 0.746,502 1.232,503 0.653,504 0.961,505 0.671,506 0.818,507 0.713,508 0.946,509 0.776,510 0.812,511 0.719,512 0.808,513 0.653,514 1.036,515 0.673,516 1.02,517 0.686,518 0.889,519 1.05,520 1.218,521 1.114,522 1.312,523 1.027,524 1.253,525 1.616,526 0.964,527 1.531,528 1.114,529 1.669,530 1.256,531 1.651,532 0.613,533 1.572,534 0.737,535 1.655,536 1.046,537 0.7,538 0.289,539 0.782,540 0.361,541 0.569,542 0.551,549 2,551 2,552 1.986,553 0.542,554 0.233,555 0.04,559 879,560 3496,561 1.992,562 35,564 4,565 2,567 1,572 1.495,573 1.814,574 2.309,575 -0.127,582 33.503,583 1.675,584 3.322,585 3.722,586 4.122,587 4.222,588 4.222,589 1.76,590 3.027,591 3.674,592 2.308,593 180.026,594 6.132,595 1336.83,597 1,600 86.439,601 1.549,602 3.601,603 0.143,605 0.1,606 0.095,607 0.036,608 0.033,609 0.04,613 0.447,614 0.83,615 1,616 1.057,617 45.425,618 -0.115,619 -0.146,620 -0.012,621 0.015,622 -0.104,623 0.03,624 0.007,625 0.165,626 -0.038,627 0.126,628 -0.083,629 0.047,630 0.166,631 -0.038,632 0.197,633 -0.065,634 0.151,635 0.046,636 -0.041,637 -0.297,638 -0.183,639 -0.375,640 0.013,641 -0.337,642 -0.246,643 -0.149,644 -0.394,645 -0.196,646 -0.194,647 -0.311,648 -0.389,649 0.122,650 -0.218,651 0.219,652 -0.391,653 0.096,654 0.116,655 0.412,656 0.788,657 0.661,658 0.09,659 0.893,660 0.524,661 0.67,662 1.76,663 1.07,664 0.438,665 1.675,666 2.33,667 4.264,668 0.692,669 5.657,670 1.037,671 1.119,672 0.889,673 0.791,674 0.683,675 2.708,676 3.045,677 3.401,678 3.664,679 3.761,680 3.584,681 3.434,682 3.258,683 2.565,684 1.946,685 3.068,686 0.687,687 177.17,688 2.708,689 4.234,690 5.118,691 6.019,692 6.923,693 7.83,694 8.738,695 9.646,696 10.555,697 11.464,698 5,705 1,715 4,720 2,722 6,727 1,741 20,743 8,744 1,745 14,747 21,748 9,749 6,750 2,751 4,752 2,756 2,757 3,772 8,773 1,777 2,782 2,786 2,793 7,794 4,795 1,796 4,802 1,808 0.5,809 3,828 1,829 1,832 1,844 1,857 1,859 1,868 13,875 1,876 1,881 1,893 15,894 1,896 2,901 7.167,902 3.567,903 2.972,904 1.071,907 1.5,908 1.269,909 0.92,910 1.725,911 7.083,912 2.996,913 3.541,914 4.155,915 4.653,916 5.088,917 5.112,918 5.281,919 5.336,920 4.888,921 4.437,922 1,923 21,924 4.81,925 -0.003,926 2.135,927 0.026,929 8.436,931 8.615,932 -0.001,933 6.987,934 0.001,936 2.936,937 38.167,938 0.003,941 70.627,942 53.685,943 3.124,945 92.973,948 53.685,949 163.6,950 3.124,952 3.124,953 80.588,954 60.128,955 5.942,956 23.542,957 47.084,959 70.627,960 56.81,961 92.973,964 70.627,965 50.29,966 42.683,968 3.124,969 53.685,972 70.627,973 96.098,974 53.685,977 70.627,978 15.78,979 41.029,981 92.973,982 70.627,983 96.098,984 53.685,986 0.581,987 0.384,988 0.22,989 0.109,990 11,991 5,992 0.048,993 1,994 1,995 1.222,996 2.412,997 82.49,998 0.222,999 9,1000 48.106,1005 8.108,1006 2.765,1007 1.001,1009 96.098,1010 6.609,1015 0.849,1017 42.683,1018 220.41,1019 19,1024 22.473,1028 -1.214,1031 20.735,1032 22.372,1034 0.388,1035 0.769,1036 0.861,1037 0.954,1038 0.977,1039 0.977,1040 4.227,1041 -0.703,1042 5.13,1043 -0.297,1044 3.714,1045 4.22,1046 1.519,1047 6.028,1048 3.69,1049 5.435,1050 -0.922,1051 6.753,1052 -1.602,1053 3.434,1054 4.06,1055 0.325,1056 7.13,1057 3.416,1058 6.756,1059 -1.345,1060 8.485,1061 -2.194,1062 5.38,1063 6.37,1064 1.651,1065 10.295,1066 5.332,1067 8.121,1068 -1.631,1069 10.277,1070 -3.427,1071 5.969,1072 7.052,1073 0.762,1074 12.234,1075 5.922,1076 9.524,1077 -1.845,1078 12.106,1079 -4.672,1080 7.415,1081 8.852,1082 1.893,1083 14.931,1084 7.345,1085 10.955,1086 -1.894,1087 13.959,1088 -5.292,1089 8.376,1090 9.916,1091 1.215,1092 17.196,1093 8.301,1094 12.407,1095 -2,1096 15.83,1097 -7.011,1098 9.651,1099 11.513,1100 2.19,1101 19.74,1102 9.559,1103 3.3,1105 17.715,1106 -7.169,1107 10.759,1108 12.756,1109 1.674,1110 22.129,1111 10.658,1112 2.17,1113 11.701,1114 19.61,1116 11.978,1117 14.263,1118 2.519,1119 24.619,1120 11.863,1121 2.084,1122 6.952,1123 21.513,1124 4.128,1125 13.14,1126 15.593,1127 2.136,1128 27.053,1129 13.015,1130 1.354,1131 6.594,1132 23.423,1133 2.966,1134 14.342,1135 17.056,1136 2.871,1137 29.524,1138 14.204,1139 1.034,1140 2.959,1141 25.339,1142 2.48,1143 15.524,1144 18.429,1145 2.599,1146 31.975,1147 15.375,1148 0.566,1149 2.421,1150 27.26,1151 1.97,1152 16.72,1153 19.87,1154 3.239,1155 34.439,1156 16.559,1157 -0.17,1158 1.035,1159 29.184,1160 1.391,1161 17.91,1162 21.265,1163 3.059,1164 36.895,1165 17.737,1166 964,1167 1965,1168 8.959,1169 13.653,1170 21.537,1171 23.2,1172 22.917,1173 21.045,1174 21.019,1175 27.373,1176 3.608,1177 63.326,1178 20.774,1179 5.421,1180 5.979,1181 6.645,1182 5.287,1183 5.3,1184 7.128,1185 2.349,1186 18.87,1187 5.262,1188 6.432,1189 1.538,1190 1.657,1191 1.637,1192 1.503,1193 1.501,1194 1.955,1195 0.258,1196 4.523,1197 1.484,1198 4.011,1199 4.031,1200 3.979,1201 3.914,1202 7.498,1203 3.925,1204 3.482,1205 3.514,1206 3.412,1207 3.285,1208 7.352,1209 3.315,1210 3.202,1211 3.224,1212 3.089,1213 2.928,1214 6.457,1215 2.954,1216 2.832,1217 2.892,1218 2.687,1219 2.656,1220 4.706,1221 2.651,1222 2.605,1223 2.613,1224 2.544,1225 2.417,1226 3.808,1227 2.443,1228 2.39,1229 2.385,1230 2.31,1231 1.929,1232 3.614,1233 2.036,1234 1.979,1235 2.086,1236 1.65,1237 1.359,1238 3.069,1239 1.407,1240 1.546,1241 1.721,1242 1.116,1243 1.137,1244 2.374,1245 1.096,1246 0.327,1247 0.284,1248 0.498,1249 0.306,1250 0.236,1251 4.582,1252 0.295,1253 3.979,1254 0.089,1255 6.965,1256 0.836,1257 4.287,1258 0.233,1259 3.3,1260 4.128,1261 1.24,1262 11.701,1263 3.262,1264 1.88,1265 1.857,1266 1.983,1267 1.964,1268 1.089,1269 1.97,1270 1.446,1271 1.428,1272 1.582,1273 1.737,1274 0.691,1275 1.683,1276 1.115,1277 1.079,1278 1.286,1279 1.393,1280 0.287,1281 1.354,1282 0.802,1283 0.743,1284 1.073,1285 1.001,1286 0.14,1287 1.025,1288 0.694,1289 0.656,1290 0.914,1291 0.966,1293 0.953,1296 0.485,1297 0.459,1299 0.476,1302 0.311,1303 0.43,1305 0.351,1308 0.3,1309 0.047,1311 0.145,1312 3.367,1314 4.691,1315 2.398,1316 6.244,1317 4.949,1318 7.892,1319 7.195,1320 9.588,1327 8.854,1328 -0.457,1333 1.053,1340 13.746,1341 33.503,1342 66.439,1343 74.439,1344 82.439,1345 84.439,1346 84.439,1347 23.707,1348 5.583,1349 59.3,1350 59.3,1351 11,1352 11.98,1353 3.17,1354 2.585,1355 18.91,1356 25,1357 21,1358 0.446,1359 86.461,1360 152.81,1361 202.724,1362 1302,1364 9.422,1365 0.725,1366 0.517,1367 9.422,1368 6.727,1369 6.253,1370 0.447,1371 0.273,1372 3.74,1373 5.953,1374 3.686,1375 3.033,1376 6.253,1377 3.815,1378 5.403,1379 0.27,1380 0.136,1381 5.403,1382 2.721,1383 5.076,1384 0.175,1385 0.07,1386 5.076,1387 2.02,1388 4.217,1389 0.111,1390 0.037,1391 4.217,1392 1.389,1393 3.125,1394 0.074,1395 0.02,1396 3.125,1397 0.836,1398 0.618,1399 39.919,1400 0.334,1401 12.562,1402 1.495,1403 68,1404 261.266,1405 76.616,1406 244.53,1407 319.72,1408 226,1409 83,1410 219.309,1411 92.31,1412 220.784,1413 329.03,1414 207,1415 4}
{0 CHEMBL225198,1 1.421,2 17.757,3 7.662,4 58.705,5 153.152,6 6.989,7 0.512,8 4.372,9 4.504,10 3.887,11 3.958,12 5.326,13 3.9,14 4.951,15 5.14,16 4.237,17 4.383,18 5.852,19 4.285,20 5.266,21 5.519,22 4.286,23 4.511,24 6.09,25 4.38,26 5.258,27 5.511,28 4.217,29 4.469,30 6.103,31 4.331,32 5.241,33 5.504,34 4.119,35 4.439,36 6.026,37 4.282,38 5.248,39 5.516,40 4.115,41 4.416,42 6.06,43 4.244,44 5.23,45 5.51,46 3.995,47 4.356,48 6.004,49 4.162,50 5.131,51 5.413,52 3.842,53 4.245,54 5.895,55 4.043,56 0.073,57 1.053,58 16.628,59 7.106,60 8.227,61 9.982,62 0.207,63 1.757,64 31.521,65 12.669,66 22.128,67 18.031,68 0.351,69 2.211,70 47.302,71 16.806,72 40.811,73 24.172,74 0.465,75 2.205,76 46.66,77 15.89,78 49.407,79 23.108,80 0.349,81 2.13,82 44.8,83 16.259,84 39.27,85 23.522,86 0.447,87 2.067,88 46.489,89 16.944,90 47.899,91 24.211,92 0.378,93 1.951,94 48.628,95 16.929,96 47.516,97 23.944,98 0.421,99 1.738,100 46.642,101 15.372,102 46.885,103 21.603,104 5,105 55,106 0.219,107 0.528,108 0.704,109 0.842,110 0.883,111 0.895,112 3.641,113 1.041,114 -5.45,115 -5.33,116 -4.97,121 41.9,123 11,127 2,144 7,145 4,146 2,148 2,153 1,154 1,160 1,176 17,180 5,183 1,185 8,187 20,192 4,197 8,200 14,206 5,209 1,211 9,214 15,219 2,224 4,227 15,232 3,235 1,236 1,237 4,239 18,244 4,249 2,251 16,256 3,260 1,261 2,264 16,269 1,274 1,277 14,281 2768,282 25.673,283 25.673,284 25.673,285 25.673,286 25.673,287 23.049,288 21.925,289 15.736,290 26.011,291 20.317,292 20.317,293 20.317,294 20.317,295 20.317,296 16.208,297 19.791,298 7.563,299 20.898,300 4.788,301 2.787,302 1.645,303 0.75,304 0.486,305 0.405,306 4.353,308 1,313 1460,314 4.301,317 98.157,318 411.172,321 181.563,322 333.746,325 2.573,326 24.588,329 0.5,330 0.67,331 0.67,332 0.7,333 0.5,334 0.67,335 0.5,336 0.6,337 77.333,338 657,339 4.651,340 3.58,341 6.833,342 4.214,343 3.235,344 4.582,345 1.907,346 11.364,347 3.165,348 4.524,349 3.373,350 6.526,351 4.049,352 3.062,353 4.473,354 0.4,355 10.265,356 3.022,357 3.99,358 3.127,359 6.004,360 3.58,361 2.61,362 3.534,363 0.149,364 8.477,365 2.532,366 3.668,367 2.943,368 5.427,369 3.389,370 2.383,371 2.961,373 6.886,374 2.385,375 3.584,376 2.562,377 5.173,378 3.193,379 2.252,380 2.872,382 6.283,383 2.103,384 3.384,385 2.272,386 4.979,387 2.984,388 1.995,389 2.705,391 5.765,392 1.972,393 3.365,394 2.192,395 4.899,396 2.894,397 1.984,398 2.699,400 5.573,401 1.856,402 3.046,403 1.932,404 4.183,405 2.846,406 1.857,407 2.318,409 3.813,410 1.703,411 2.892,412 1.757,413 4.121,414 2.544,415 1.562,416 1.899,418 3.755,419 1.531,420 2.691,421 1.546,422 3.98,423 2.518,424 1.546,425 1.739,427 3.423,428 1.501,429 2.654,430 1.517,431 3.834,432 2.425,433 1.434,434 1.718,436 3.303,437 1.415,438 2.55,439 1.434,440 3.623,441 2.249,442 1.257,443 1.551,445 3.043,446 1.246,447 2.487,448 1.346,449 3.591,450 2.209,451 1.222,452 1.486,454 2.814,455 1.206,456 2.217,457 1.3,458 3.509,459 2.12,460 1.144,461 1.201,463 2.576,464 1.112,465 2.147,466 1.051,467 3.268,468 1.837,469 0.866,470 1.03,472 1.978,473 0.835,474 18.148,475 0.49,476 0.657,477 0.018,478 43,479 1.162,480 20,481 0.541,482 23,483 0.622,484 38.978,485 1.053,486 40.052,487 0.541,488 29.225,489 0.79,490 7.572,491 0.205,492 10.615,493 0.287,494 0.058,496 0.276,501 0.761,502 1.221,503 0.765,504 1.004,505 0.56,506 0.974,507 0.689,508 1.239,509 0.834,510 1.084,511 0.539,512 1.069,513 1.003,514 1.04,515 0.885,516 0.932,517 0.953,518 0.923,519 1.15,520 1.03,521 0.944,522 0.974,523 1.116,524 1.007,525 0.988,526 1.016,527 0.869,528 0.977,529 0.93,530 1.014,531 0.859,532 1,533 0.863,534 1.016,535 1.056,536 1.032,537 1.112,538 0.969,539 1.056,540 1.013,541 1.218,542 1.016,543 1.269,544 0.862,545 1.277,546 1.017,547 1.312,548 1.016,549 5,550 0.102,551 3.556,552 2.167,553 1.653,554 0.778,555 0.675,556 0.315,557 0.228,558 0.147,559 28862,560 64252,561 2.15,562 50,563 14,564 11,565 1,567 3,568 4,569 4,572 1.77,573 2.075,574 3.991,575 0.702,582 105.17,583 1.421,584 3.422,585 4.565,586 5.459,587 5.723,588 5.804,589 3.344,590 4.939,591 5.188,592 4.277,593 2848.35,594 9.059,595 53765.4,600 459.5,601 1.12,602 5.168,603 0.122,604 0.004,605 0.065,606 0.039,607 0.033,608 0.017,609 0.016,610 0.009,611 0.007,612 0.005,613 0.317,614 0.17,615 0.5,616 0.368,617 212.982,618 -0.032,619 -0.011,620 0.031,621 0.037,622 0.02,623 0.047,624 0.066,625 -0.124,626 -0.003,627 -0.072,628 0.092,629 -0.063,630 -0.037,631 -0.026,632 0.042,633 0.043,634 -0.02,635 0.057,636 -0.059,637 0.011,638 -0.05,639 -0.028,640 -0.064,641 -0.05,642 -0.075,643 -0.008,644 -0.027,645 -0.022,646 -0.038,647 -0.043,648 0.105,649 -0.035,650 0.027,651 -0.045,652 0.04,653 -0.051,654 -0.058,655 -0.045,656 -0.021,657 -0.026,658 -0.043,659 -0.029,660 -0.101,661 0.055,662 -0.106,663 -0.018,664 -0.1,665 -0.029,666 1.524,667 5.256,668 0.622,669 46.228,670 0.988,671 1.124,672 4.217,673 17.783,674 0.666,675 3.738,676 4.025,677 4.304,678 4.585,679 4.82,680 4.89,681 4.997,682 5.094,683 5.069,684 4.956,685 10.619,686 0.616,687 517.17,688 3.738,689 5.263,690 6.107,691 6.974,692 7.841,693 8.721,694 9.599,695 10.486,696 11.371,697 12.263,698 5.4,703 1,705 1,706 1,708 1,714 4,715 8,716 1,717 1,720 5,722 21,734 1,740 1,741 74,743 22,744 2,745 41,747 78,748 31,749 17,750 5,751 7,756 5,757 9,758 1,767 4,770 11,772 18,773 13,777 1,782 1,786 1,793 37,794 4,795 3,796 6,797 1,802 4,808 0.4,809 1,822 1,824 1,828 1,829 4,832 1,833 2,843 1,859 2,865 1,868 37,876 13,877 2,892 1,893 1.4,896 1,901 17.833,902 12.926,903 8.25,904 5.101,907 4.081,908 1.486,909 1.011,910 9.016,911 12.476,912 3.98,913 4.572,914 5.188,915 5.814,916 6.372,917 6.701,918 7.064,919 7.415,920 7.513,921 7.408,922 1,923 56,924 13.76,926 5.813,927 0.026,929 7.494,931 27.363,933 23.149,936 1.994,937 73.778,941 400.217,942 136.997,943 69.593,944 39.149,945 25.145,948 136.997,949 464.511,950 69.593,952 50.102,953 75.381,954 64.646,955 39.461,956 13.915,957 388.446,958 39.149,959 400.217,960 206.589,961 25.145,962 39.149,964 353.133,965 72.229,968 71.788,969 100.004,970 73.945,972 400.217,973 94.737,974 176.145,977 400.217,978 61.615,979 75.381,980 52.807,981 81.079,982 400.217,983 94.737,984 176.145,986 0.566,987 0.327,988 0.184,989 0.104,990 25,991 10,992 0.154,993 12,994 3,995 1.261,996 5.09,997 333.734,998 0.261,999 23,1000 192.75,1005 26.065,1006 12.798,1007 6.662,1008 4.53,1009 77.952,1010 16.324,1011 4.916,1012 3.281,1015 5.871,1017 52.807,1018 671.1,1019 52.5,1024 12.256,1028 0.142,1031 73.079,1032 83.205,1034 0.229,1035 0.551,1036 0.735,1037 0.879,1038 0.922,1039 0.935,1040 5.2,1041 1.857,1042 6.057,1043 5.573,1044 4.71,1045 5.26,1046 1.997,1047 6.843,1048 4.656,1049 6.382,1050 1.562,1051 7.589,1052 3.813,1053 4.111,1054 5.085,1055 1.593,1056 7.711,1057 4.016,1058 7.681,1059 1.546,1060 9.23,1061 3.755,1062 6.26,1063 7.513,1064 2.907,1065 10.86,1066 6.165,1067 9.025,1068 1.434,1069 10.941,1070 3.423,1071 6.567,1072 8.26,1073 3.032,1074 12.65,1075 6.444,1076 10.41,1077 1.257,1078 12.7,1079 3.303,1080 8.119,1081 10.135,1082 4.038,1083 15.301,1084 7.99,1085 11.824,1086 1.222,1087 14.493,1088 3.043,1089 8.874,1090 11.303,1091 4.409,1092 17.455,1093 8.724,1094 13.261,1095 1.144,1096 16.31,1097 2.814,1098 10.178,1099 12.961,1100 5.25,1101 19.943,1102 10.017,1103 3.235,1104 0.866,1105 18.145,1106 2.576,1107 11.15,1108 14.321,1109 5.75,1110 22.244,1111 10.969,1112 3.062,1113 11.364,1114 19.994,1115 1.978,1116 12.355,1117 15.891,1118 6.501,1119 24.678,1120 12.16,1121 2.61,1122 10.265,1123 21.854,1124 4.582,1125 13.427,1126 17.336,1127 7.068,1128 27.04,1129 13.212,1130 2.383,1131 8.477,1132 23.722,1133 4.473,1134 14.596,1135 18.87,1136 7.771,1137 29.457,1138 14.364,1139 2.252,1140 6.886,1141 25.597,1142 3.534,1143 15.714,1144 20.352,1145 8.374,1146 31.846,1147 15.461,1148 1.995,1149 6.283,1150 27.477,1151 2.961,1152 16.871,1153 21.872,1154 9.051,1155 34.259,1156 16.6,1157 1.984,1158 5.765,1159 29.363,1160 2.872,1161 18.009,1162 23.371,1163 9.674,1164 36.662,1165 17.718,1166 26409,1167 39597,1168 28.315,1169 49.279,1170 59.964,1171 61.435,1172 61.173,1173 60.086,1174 59.878,1175 77.159,1176 4.912,1177 165.504,1178 58.128,1179 5.624,1180 5.58,1181 6.742,1182 5.255,1183 5.235,1184 7.582,1185 3.306,1186 18.902,1187 5.165,1188 12.224,1189 1.463,1190 1.498,1191 1.492,1192 1.466,1193 1.46,1194 1.882,1195 0.12,1196 4.037,1197 1.418,1198 4.142,1199 4.175,1200 4.132,1201 4.064,1202 7.429,1203 4.068,1204 4.099,1205 4.129,1206 4.075,1207 4.027,1208 5.04,1209 4.031,1210 3.792,1211 3.856,1212 3.778,1213 3.667,1214 4.966,1215 3.652,1216 3.736,1217 3.78,1218 3.65,1219 3.647,1220 4.685,1221 3.632,1222 3.661,1223 3.72,1224 3.535,1225 3.497,1226 4.311,1227 3.498,1228 3.517,1229 3.584,1230 3.417,1231 3.375,1232 4.274,1233 3.363,1234 3.386,1235 3.449,1236 3.336,1237 3.221,1238 4.194,1239 3.226,1240 3.288,1241 3.353,1242 3.25,1243 3.16,1244 4.145,1245 3.15,1246 0.113,1247 0.087,1248 0.167,1249 0.103,1250 0.079,1251 4.651,1252 0.112,1253 3.58,1254 0.047,1255 6.833,1256 0.277,1257 4.214,1258 0.077,1259 3.235,1260 4.582,1261 1.907,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.149,1267 2.158,1268 1.437,1269 2.159,1270 1.941,1271 1.918,1272 2.044,1273 2.02,1274 1.387,1275 2.028,1276 1.787,1277 1.725,1278 2.029,1279 1.96,1280 1.244,1281 1.985,1282 1.75,1283 1.709,1284 1.926,1285 1.873,1286 1.17,1287 1.893,1288 1.684,1289 1.632,1290 1.88,1291 1.862,1292 1.123,1293 1.877,1294 1.559,1295 1.488,1296 1.812,1297 1.761,1298 1.041,1299 1.781,1300 1.371,1301 1.312,1302 1.587,1303 1.613,1304 0.817,1305 1.61,1306 1.273,1307 1.219,1308 1.504,1309 1.477,1310 0.75,1311 1.498,1312 4.419,1314 5.714,1315 2.398,1316 7.207,1317 4.727,1318 8.806,1319 6.823,1320 10.467,1323 6.24,1328 13.38,1329 6.836,1340 45.583,1341 105.17,1342 253.23,1343 337.79,1344 403.99,1345 423.5,1346 429.5,1347 63.314,1348 8.394,1349 69.81,1350 69.81,1351 29,1352 12.792,1353 4.524,1354 3.644,1355 57.588,1356 246,1357 201,1358 0.109,1359 281.398,1360 481.06,1361 678.372,1362 77421,1363 1.4,1364 25.451,1365 0.688,1366 0.603,1367 25.951,1368 22.301,1369 18.187,1370 0.444,1371 0.347,1372 13.797,1373 17.54,1374 13.506,1375 11.171,1376 18.475,1377 14.232,1378 15.731,1379 0.286,1380 0.193,1381 16.139,1382 10.621,1383 13.223,1384 0.181,1385 0.106,1386 13.485,1387 7.734,1388 11.2,1389 0.115,1390 0.058,1391 11.434,1392 5.664,1393 9.25,1394 0.075,1395 0.033,1396 9.481,1397 4.111,1398 0.185,1399 114.643,1400 0.188,1401 35.243,1402 0.268,1403 192,1404 442.583,1405 216.95,1406 469.531,1407 646.47,1408 442,1409 224,1410 460.668,1411 243.246,1412 478.974,1413 702.44,1414 456,1415 5.134}
{0 CHEMBL225326,1 1.527,2 17.081,3 7.954,4 63.268,5 156.173,6 8.198,7 0.512,8 4.338,9 4.464,10 3.992,11 3.95,12 5.306,13 3.89,14 4.913,15 5.094,16 4.394,17 4.383,18 5.84,19 4.284,20 5.227,21 5.468,22 4.449,23 4.518,24 6.084,25 4.383,26 5.219,27 5.466,28 4.397,29 4.468,30 6.089,31 4.33,32 5.2,33 5.451,34 4.413,35 4.436,36 6.067,37 4.287,38 5.199,39 5.451,40 4.206,41 4.417,42 6.021,43 4.237,44 5.191,45 5.465,46 4.221,47 4.345,48 5.985,49 4.152,50 5.094,51 5.373,52 3.932,53 4.246,54 5.823,55 4.03,56 0.057,57 0.999,58 13.832,59 6.673,60 7.397,61 9.133,62 0.183,63 1.679,64 29.138,65 12.284,66 21.91,67 16.882,68 0.352,69 2.133,70 54.389,71 17.201,72 43.216,73 23.276,74 0.425,75 2.136,76 50.088,77 16.253,78 47.23,79 22.365,80 0.452,81 2.054,82 48.12,83 16.122,84 48.689,85 22.191,86 0.4,87 1.98,88 58.113,89 17.387,90 46.925,91 23.224,92 0.441,93 1.902,94 54.387,95 16.986,96 51.405,97 23.287,98 0.409,99 1.696,100 52.553,101 16,102 44.042,103 21.654,104 10,105 56,106 0.237,107 0.563,108 0.738,109 0.847,110 0.881,111 0.894,112 3.641,113 1.07,114 -5.81,115 -5.67,116 -5.28,119 1,121 42.3,123 10,127 2,144 6,145 4,146 3,148 2,153 1,154 1,160 1,176 14,180 5,183 1,185 8,187 19,192 4,197 8,200 14,206 5,209 1,211 7,214 14,219 2,222 1,223 1,224 5,227 14,232 3,237 4,239 17,244 4,249 3,251 16,256 2,260 1,261 1,264 16,269 1,274 1,277 14,281 2687,282 25.413,283 25.413,284 25.413,285 25.413,286 25.413,287 22.764,288 23.862,289 15.425,290 25.916,291 20.317,292 20.317,293 20.317,294 20.317,295 20.317,296 16.163,297 23.453,298 7.438,299 21.222,300 4.622,301 2.53,302 1.402,303 0.697,304 0.479,305 0.394,306 4.352,308 1,313 1401,314 4.243,317 95.911,318 405.177,321 177.053,322 330.608,325 2.394,326 25.951,329 0.5,330 0.5,331 0.67,332 0.7,333 0.5,334 0.67,335 0.5,336 0.58,337 77.083,338 632,339 4.651,340 3.625,341 6.833,342 4.214,343 3.235,344 4.582,345 1.987,346 11.364,347 3.165,348 4.552,349 3.373,350 6.55,351 4.078,352 3.096,353 4.504,354 0.4,355 10.377,356 3.04,357 3.99,358 3.147,359 6.004,360 3.58,361 2.61,362 3.534,363 0.324,364 8.477,365 2.532,366 3.737,367 2.943,368 5.427,369 3.406,370 2.419,371 3.098,373 6.886,374 2.384,375 3.584,376 2.728,377 5.31,378 3.193,379 2.252,380 2.961,382 6.732,383 2.103,384 3.558,385 2.562,386 4.963,387 3.07,388 2.18,389 2.853,391 5.844,392 1.916,393 3.365,394 2.272,395 4.899,396 2.897,397 1.986,398 2.699,400 5.573,401 1.837,402 3.245,403 2.066,404 4.823,405 2.857,406 1.885,407 2.523,409 5.263,410 1.703,411 2.89,412 1.931,413 4.121,414 2.771,415 1.796,416 1.899,418 3.804,419 1.666,420 2.708,421 1.756,422 4.095,423 2.53,424 1.545,425 1.794,427 3.438,428 1.517,429 2.683,430 1.517,431 3.979,432 2.424,433 1.432,434 1.73,436 3.369,437 1.414,438 2.547,439 1.434,440 3.827,441 2.249,442 1.257,443 1.546,445 3.256,446 1.246,447 2.487,448 1.346,449 3.615,450 2.207,451 1.238,452 1.486,454 3.021,455 1.188,456 2.211,457 1.313,458 3.498,459 2.109,460 1.138,461 1.19,463 2.551,464 1.098,465 2.157,466 1.045,467 3.267,468 1.806,469 0.835,470 1.025,472 1.897,473 0.801,474 18.981,475 0.513,476 0.763,477 0.021,478 43,479 1.162,480 20,481 0.541,482 23,483 0.622,484 41.267,485 1.115,486 39.219,487 0.552,488 28.068,489 0.759,490 7.373,491 0.199,492 10.707,493 0.289,494 0.125,496 0.29,501 0.733,502 1.192,503 0.534,504 0.865,505 0.552,506 0.904,507 0.67,508 1.208,509 0.587,510 0.937,511 0.52,512 0.997,513 1.009,514 1.038,515 0.814,516 0.903,517 0.954,518 0.917,519 1.004,520 1.043,521 0.682,522 0.901,523 0.935,524 0.961,525 0.978,526 0.98,527 0.628,528 0.866,529 1.099,530 0.95,531 1.028,532 1.04,533 1.013,534 1.076,535 1.174,536 1.095,537 0.925,538 0.976,539 0.59,540 0.955,541 1.056,542 1.011,543 1.057,544 0.851,545 0.75,546 0.952,547 1.067,548 1.02,549 6,550 0.119,551 3.556,552 2.354,553 2.039,554 0.962,555 0.642,556 0.352,557 0.232,558 0.167,559 28034,560 70608,561 2.133,562 47.9,563 12,564 10,565 1,567 3,568 4,569 4,572 1.77,573 2.037,574 3.948,575 0.728,582 108.452,583 1.527,584 3.62,585 4.747,586 5.452,587 5.671,588 5.755,589 3.27,590 4.993,591 5.19,592 4.231,593 2817.62,594 9.063,595 52584.7,600 436.632,601 1.241,602 5.159,603 0.146,604 0.004,605 0.063,606 0.041,607 0.039,608 0.02,609 0.016,610 0.01,611 0.008,612 0.006,613 0.354,614 0.17,615 0.5,616 0.435,617 212.174,618 -0.042,619 -0.008,620 0.005,621 0.033,622 0.012,623 0.045,624 0.059,625 -0.107,626 0.021,627 -0.029,628 0.103,629 -0.037,630 -0.059,631 -0.023,632 -0.003,633 0.037,634 -0.022,635 0.051,636 -0.016,637 -0.004,638 0.006,639 -0.005,640 0.002,641 -0.016,642 0.034,643 0.035,644 0.056,645 0.036,646 0.008,647 0.001,648 -0.055,649 -0.071,650 -0.08,651 -0.103,652 -0.065,653 -0.113,654 0.038,655 -0.047,656 0.053,657 -0.034,658 0.006,659 -0.029,660 -0.082,661 0.063,662 -0.034,663 -0.007,664 -0.106,665 -0.026,666 1.584,667 5.405,668 0.622,669 43.861,670 0.992,671 1.122,672 4.578,673 20.959,674 0.688,675 3.738,676 4.043,677 4.317,678 4.615,679 4.868,680 4.942,681 5.043,682 5.124,683 5.106,684 4.984,685 10.359,686 0.635,687 582.03,688 3.738,689 5.273,690 6.12,691 6.997,692 7.867,693 8.754,694 9.637,695 10.53,696 11.419,697 12.315,698 5.6,703 1,705 1,706 1,708 1,714 4,715 7,716 1,717 1,720 6,722 21,734 1,740 2,741 71,743 22,744 2,745 41,746 1,747 75,748 30,749 17,750 6,751 6,756 5,757 9,758 1,767 4,770 10,772 18,773 12,777 1,782 1,786 1,793 34,794 4,795 3,796 7,797 2,802 4,808 0.4,809 1,822 1,824 1,828 1,829 4,832 1,833 2,843 1,859 2,863 1,865 1,868 37,876 12,877 2,892 2,893 1.4,896 1,901 18.167,902 12.486,903 8.167,904 4.831,907 4.135,908 1.489,909 1.017,910 9.066,911 12.588,912 3.98,913 4.593,914 5.207,915 5.852,916 6.43,917 6.774,918 7.135,919 7.47,920 7.581,921 7.461,922 0.909,923 57,924 13.748,926 5.829,927 0.026,929 7.519,931 27.217,933 23.045,936 2.019,937 74.694,941 364.904,942 128.041,943 115.547,944 39.149,945 25.145,948 173.995,949 429.198,950 69.593,952 47.567,953 65.905,954 64.646,955 42.516,956 13.915,957 353.133,958 85.103,959 364.904,960 197.633,961 25.145,962 39.149,963 45.954,964 317.82,965 72.229,968 69.254,969 93.583,970 73.945,971 45.954,972 364.904,973 94.737,974 213.144,977 364.904,978 62.136,979 65.905,980 98.761,981 81.079,982 364.904,983 94.737,984 213.144,986 0.572,987 0.328,988 0.186,989 0.109,990 26,991 11,992 0.147,993 11,994 3,995 1.261,996 5.017,997 338.259,998 0.261,999 23,1000 192.75,1005 26.526,1006 12.645,1007 6.683,1008 4.334,1009 77.952,1010 14.075,1011 4.915,1012 3.243,1015 6.702,1017 52.807,1018 672.785,1019 52.5,1024 12.405,1028 0.083,1031 70.425,1032 79.631,1034 0.248,1035 0.589,1036 0.772,1037 0.887,1038 0.922,1039 0.936,1040 5.211,1041 1.885,1042 6.084,1043 5.573,1044 4.727,1045 5.281,1046 2.115,1047 6.882,1048 4.649,1049 6.407,1050 1.796,1051 7.626,1052 5.263,1053 4.205,1054 5.165,1055 1.593,1056 7.758,1057 4.048,1058 7.716,1059 1.545,1060 9.273,1061 3.804,1062 6.293,1063 7.548,1064 3.102,1065 10.905,1066 6.164,1067 9.066,1068 1.432,1069 10.985,1070 3.438,1071 6.635,1072 8.316,1073 3.168,1074 12.68,1075 6.461,1076 10.455,1077 1.257,1078 12.743,1079 3.369,1080 8.16,1081 10.172,1082 4.312,1083 15.338,1084 7.996,1085 11.871,1086 1.238,1087 14.533,1088 3.256,1089 8.929,1090 11.346,1091 4.654,1092 17.483,1093 8.74,1094 13.308,1095 1.138,1096 16.346,1097 3.021,1098 10.222,1099 12.997,1100 5.601,1101 19.976,1102 10.029,1103 3.235,1104 0.835,1105 18.179,1106 2.551,1107 11.201,1108 14.359,1109 6.091,1110 22.273,1111 10.988,1112 3.096,1113 11.364,1114 20.025,1115 1.897,1116 12.402,1117 15.927,1118 6.927,1119 24.71,1120 12.178,1121 2.61,1122 10.377,1123 21.882,1124 4.582,1125 13.478,1126 17.374,1127 7.5,1128 27.07,1129 13.235,1130 2.419,1131 8.477,1132 23.749,1133 4.504,1134 14.646,1135 18.908,1136 8.273,1137 29.489,1138 14.387,1139 2.252,1140 6.886,1141 25.622,1142 3.534,1143 15.765,1144 20.392,1145 8.894,1146 31.877,1147 15.487,1148 2.18,1149 6.732,1150 27.502,1151 3.098,1152 16.923,1153 21.914,1154 9.631,1155 34.291,1156 16.627,1157 1.986,1158 5.844,1159 29.386,1160 2.961,1161 18.063,1162 23.415,1163 10.279,1164 36.693,1165 17.747,1166 25744,1167 41097,1168 28.027,1169 48.87,1170 60.247,1171 62.024,1172 61.774,1173 60.638,1174 60.248,1175 77.728,1176 5.422,1177 169.26,1178 57.496,1179 5.621,1180 5.625,1181 6.742,1182 5.255,1183 5.235,1184 7.582,1185 3.497,1186 18.902,1187 5.165,1188 15.11,1189 1.469,1190 1.513,1191 1.507,1192 1.479,1193 1.469,1194 1.896,1195 0.132,1196 4.128,1197 1.402,1198 4.142,1199 4.173,1200 6.88,1201 4.071,1202 7.429,1203 4.071,1204 4.1,1205 4.129,1206 4.129,1207 4.032,1208 5.04,1209 4.034,1210 3.785,1211 3.85,1212 4.05,1213 3.666,1214 4.959,1215 3.651,1216 3.736,1217 3.78,1218 3.778,1219 3.644,1220 4.685,1221 3.629,1222 3.631,1223 3.693,1224 3.632,1225 3.474,1226 4.323,1227 3.468,1228 3.491,1229 3.544,1230 3.505,1231 3.375,1232 4.273,1233 3.355,1234 3.359,1235 3.42,1236 3.407,1237 3.204,1238 4.191,1239 3.2,1240 3.262,1241 3.316,1242 3.286,1243 3.123,1244 4.144,1245 3.117,1246 0.113,1247 0.088,1248 0.167,1249 0.103,1250 0.079,1251 4.651,1252 0.112,1253 3.625,1254 0.048,1255 6.833,1256 0.277,1257 4.214,1258 0.077,1259 3.235,1260 4.582,1261 1.987,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.149,1267 2.158,1268 1.437,1269 2.159,1270 1.936,1271 1.919,1272 2.033,1273 2.002,1274 1.386,1275 2.01,1276 1.785,1277 1.723,1278 1.989,1279 1.955,1280 1.199,1281 1.981,1282 1.75,1283 1.709,1284 1.926,1285 1.864,1286 1.168,1287 1.892,1288 1.647,1289 1.597,1290 1.849,1291 1.849,1292 1.122,1293 1.85,1294 1.541,1295 1.472,1296 1.76,1297 1.737,1298 0.929,1299 1.754,1300 1.324,1301 1.261,1302 1.567,1303 1.567,1304 0.808,1305 1.57,1306 1.224,1307 1.171,1308 1.456,1309 1.422,1310 0.75,1311 1.434,1312 4.419,1314 5.727,1315 2.398,1316 7.229,1317 4.727,1318 8.836,1319 6.823,1320 10.505,1321 3.512,1323 6.24,1328 12.36,1329 6.825,1340 45.082,1341 108.452,1342 257.025,1343 337.064,1344 387.122,1345 402.632,1346 408.632,1347 64.13,1348 8.453,1349 69.81,1350 69.81,1351 29,1352 12.842,1353 4.524,1354 3.644,1355 57.556,1356 241,1357 183,1358 0.112,1359 283.72,1360 483.04,1361 684.037,1362 81559,1363 2.8,1364 25.614,1365 0.692,1366 0.635,1367 27.114,1368 23.48,1369 18.081,1370 0.441,1371 0.357,1372 13.445,1373 16.861,1374 13.105,1375 10.816,1376 18.947,1377 14.625,1378 16.023,1379 0.286,1380 0.203,1381 17.248,1382 11.358,1383 13.24,1384 0.179,1385 0.108,1386 14.027,1387 8.011,1388 11.334,1389 0.113,1390 0.059,1391 12.007,1392 5.882,1393 9.524,1394 0.074,1395 0.034,1396 10.354,1397 4.42,1398 0.189,1399 122.378,1400 0.189,1401 35.068,1402 0.277,1403 194,1404 465.237,1405 284.821,1406 527.702,1407 712.16,1408 494,1409 227,1410 480.401,1411 274.51,1412 511.942,1413 751.27,1414 486,1415 9.43}
{0 CHEMBL225366,1 1.359,2 17.324,3 6.665,4 44.42,5 135.687,6 6.86,7 0.486,8 4.275,9 4.384,10 3.775,11 3.82,12 5.302,13 3.784,14 4.832,15 5.007,16 4.084,17 4.191,18 5.79,19 4.132,20 5.08,21 5.287,22 4.163,23 4.327,24 6.017,25 4.241,26 5.158,27 5.398,28 4.084,29 4.299,30 6.112,31 4.181,32 5.091,33 5.343,34 3.928,35 4.244,36 5.929,37 4.107,38 5.054,39 5.31,40 3.848,41 4.182,42 5.901,43 4.03,44 4.975,45 5.236,46 3.729,47 4.1,48 5.747,49 3.943,50 4.906,51 5.158,52 3.646,53 4.014,54 5.744,55 3.859,56 0.032,57 0.867,58 14.907,59 6.826,60 9.236,61 8.865,62 0.228,63 1.432,64 27.95,65 10.982,66 24.988,67 14.585,68 0.294,69 1.751,70 36.661,71 14.299,72 38.457,73 19.152,74 0.678,75 1.841,76 40.825,77 15.03,78 68.06,79 20.771,80 0.336,81 1.742,82 37.782,83 14.414,84 44.837,85 20.008,86 0.528,87 1.651,88 36.706,89 13.958,90 56.299,91 19.471,92 0.275,93 1.532,94 33.674,95 13.061,96 34.14,97 18.209,98 0.499,99 1.401,100 31.905,101 11.883,102 47.746,103 16.37,104 11,105 49,106 0.215,107 0.492,108 0.699,109 0.814,110 0.852,111 0.871,112 3.559,113 0.976,114 -5.13,115 -5.03,116 -4.71,121 43.3,123 5,126 2,127 3,144 11,145 3,146 4,159 1,176 14,180 13,187 16,192 10,200 9,205 3,206 12,214 10,219 3,227 10,231 2,232 7,239 12,244 3,251 10,255 2,256 4,264 12,269 2,277 10,281 2332,282 23.422,283 23.422,284 23.422,285 23.422,286 23.422,287 21.194,288 26.112,289 14.329,290 23.928,291 18.26,292 18.26,293 18.26,294 18.26,295 18.26,296 14.791,297 34.2,298 6.841,299 18.971,300 4.707,301 2.953,302 1.646,303 0.922,304 0.679,305 0.56,306 4.26,312 1,313 1277,314 4.123,318 407.259,322 301.263,325 2.599,326 27.203,329 1,330 0.67,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.83,337 72.5,338 589,339 4.565,340 3.696,341 6.778,342 4.211,343 3.225,344 4.219,345 0.916,346 11.084,347 3.186,348 4.105,349 3.008,350 6.037,351 3.667,352 2.7,353 3.753,354 0.86,355 8.652,356 2.61,357 3.927,358 2.943,359 5.484,360 3.597,361 2.625,362 3.455,363 0.86,364 7.392,365 2.559,366 3.74,367 2.932,368 5.472,369 3.358,370 2.403,371 3.115,372 0.86,373 7.146,374 2.284,375 3.418,376 2.669,377 5.223,378 3.118,379 2.166,380 2.708,381 0.172,382 6.43,383 2.056,384 3.295,385 2.396,386 5.06,387 3.039,388 2.098,389 2.454,391 5.874,392 1.962,393 3.273,394 2.367,395 4.819,396 2.914,397 1.983,398 2.364,400 5.518,401 1.828,402 2.879,403 1.867,404 4.127,405 2.795,406 1.808,407 1.975,409 3.693,410 1.775,411 2.792,412 1.633,413 3.862,414 2.458,415 1.468,416 1.822,418 3.395,419 1.452,420 2.717,421 1.554,422 3.661,423 2.321,424 1.345,425 1.81,427 3.082,428 1.307,429 2.539,430 1.471,431 3.601,432 2.245,433 1.259,434 1.5,436 2.835,437 1.237,438 2.5,439 1.34,440 3.468,441 2.006,442 1,443 1.489,445 2.343,446 1,447 2.398,448 1.066,449 3.247,450 2,451 1,452 1.362,454 2.136,455 0.996,456 1.896,457 1.046,458 3.091,459 1.784,460 0.821,461 0.869,463 1.763,464 0.784,465 1.647,466 1,467 2.967,468 1.348,469 0.467,470 0.527,472 0.756,473 0.406,474 16.233,475 0.477,476 0.623,477 0.018,478 42,479 1.235,480 21,481 0.618,482 21,483 0.618,484 30.367,485 0.893,486 37.167,487 0.555,488 31.158,489 0.916,490 8.201,491 0.241,492 8.434,493 0.248,494 0.082,496 0.271,501 0.786,502 1.277,503 0.85,504 1.172,505 0.617,506 1.042,507 1.177,508 1.015,509 0.975,510 0.986,511 0.722,512 0.947,513 1.134,514 1.086,515 0.968,516 1.056,517 0.867,518 0.999,519 0.897,520 0.968,521 0.932,522 0.952,523 0.998,524 0.945,525 0.935,526 0.986,527 0.972,528 0.987,529 1.108,530 0.982,531 0.769,532 0.948,533 0.957,534 0.974,535 0.529,536 0.987,537 0.831,538 1.017,539 0.969,540 1.038,541 0.655,542 1.025,543 1.029,544 0.908,545 1.064,546 0.956,547 1.347,548 1.008,549 5.5,550 0.132,551 2.667,552 2,553 1.853,554 0.785,555 0.564,556 0.314,557 0.213,558 0.138,559 21715,560 49579,561 2.095,562 49.3,563 6,564 23,569 4,572 1.749,573 2,574 4.027,575 -0.846,582 91.082,583 1.359,584 3.113,585 4.42,586 5.144,587 5.387,588 5.506,589 3.491,590 4.676,591 5.059,592 4.243,593 2380.21,594 8.808,595 41564.3,600 406.428,601 1.223,602 5.037,603 0.149,604 0.006,605 0.054,606 0.039,607 0.041,608 0.02,609 0.016,610 0.01,611 0.008,612 0.005,613 0.348,614 0.33,615 0.88,616 0.608,617 190.632,618 0.015,619 -0.133,620 0.068,621 -0.073,622 0.009,623 -0.008,624 -0.094,625 0.075,626 0.005,627 0.028,628 0.029,629 0.035,630 -0.047,631 -0.073,632 0.02,633 -0.054,634 0.06,635 -0.014,636 0.195,637 0.015,638 0.071,639 0.016,640 0.181,641 0.027,642 -0.04,643 -0.005,644 0.007,645 -0.01,646 -0.055,647 0.005,648 0.141,649 0.015,650 0.025,651 0.002,652 0.165,654 -0.01,655 -0.058,656 0.002,657 -0.057,658 0.02,659 -0.03,660 0.04,661 0.048,662 -0.064,663 0.012,664 -0.107,665 -0.033,666 1.708,667 5.773,668 0.588,669 47.363,670 0.993,671 1.119,672 3.9,673 15.212,674 0.657,675 3.638,676 3.912,677 4.159,678 4.407,679 4.654,680 4.745,681 4.86,682 4.984,683 5.063,684 5.017,685 10.064,686 0.617,687 459.63,688 3.638,689 5.153,690 5.984,691 6.841,692 7.692,693 8.562,694 9.427,695 10.307,696 11.181,697 12.068,698 1.5,701 1,715 11,720 7,722 18,727 1,739 3,741 67,743 19,744 3,745 37,747 70,748 29,749 18,750 7,751 11,752 1,756 4,757 7,770 5,772 19,773 10,777 1,782 1,786 1,793 33,794 5,796 5,802 1,808 0.5,809 4,829 4,833 2,855 1,859 2,864 2,868 34,876 8,878 3,881 1,893 6,896 1,898 3,901 17,902 12.533,903 7.694,904 4.233,907 3.183,908 1.395,909 0.966,910 8.617,911 11.24,912 3.871,913 4.401,914 4.943,915 5.486,916 6.025,917 6.255,918 6.596,919 6.953,920 7.291,921 7.526,922 1,923 51,924 12.619,926 5.234,927 0.026,929 7.583,931 24.61,933 19.928,936 2.083,937 70.833,941 388.446,942 180.659,943 3.124,945 58.145,948 180.659,949 446.591,950 3.124,951 19.279,952 21.476,953 104.239,954 30.278,955 66.654,957 388.446,959 388.446,960 183.783,961 58.145,964 341.362,965 105.229,968 24.601,969 159.182,972 388.446,973 61.269,974 180.659,977 388.446,978 57.14,979 126.642,981 58.145,982 388.446,983 61.269,984 180.659,986 0.564,987 0.324,988 0.175,989 0.097,990 21,991 9,992 0.171,993 12,994 2,995 1.2,996 4.789,997 290.428,998 0.2,999 20,1000 166.974,1005 24.311,1006 12.051,1007 6.626,1009 61.269,1010 21.292,1015 4.899,1018 630.374,1019 47,1024 12.773,1028 -0.042,1031 66.549,1032 74.979,1034 0.224,1035 0.513,1036 0.729,1037 0.848,1038 0.888,1039 0.908,1040 5.085,1041 1.808,1042 5.932,1043 5.518,1044 4.595,1045 5.088,1046 1.938,1047 6.693,1048 4.527,1049 6.248,1050 1.468,1051 7.453,1052 3.693,1053 4.007,1054 4.732,1055 0.325,1056 7.493,1057 3.907,1058 7.524,1059 1.345,1060 9.077,1061 3.395,1062 6.129,1063 7.197,1064 1.656,1065 10.618,1066 6.007,1067 8.838,1068 1.259,1069 10.766,1070 3.082,1071 6.399,1072 7.691,1073 0.393,1074 12.301,1075 6.26,1076 10.187,1077 1,1078 12.499,1079 2.835,1080 7.943,1081 9.611,1082 1.418,1083 14.948,1084 7.788,1085 11.564,1086 1,1087 14.264,1088 2.343,1089 8.648,1090 10.523,1091 0.384,1092 17.022,1093 8.489,1094 12.961,1095 0.821,1096 16.053,1097 2.136,1098 9.948,1099 12.195,1100 1.207,1101 19.51,1102 9.776,1103 3.225,1104 0.467,1105 17.861,1106 1.763,1107 10.88,1108 13.332,1109 0.351,1110 21.763,1111 10.707,1112 2.7,1113 11.084,1114 19.685,1115 0.756,1116 12.079,1117 14.88,1118 1.019,1119 24.195,1120 11.897,1121 2.625,1122 8.652,1123 21.522,1124 4.219,1125 13.127,1126 16.142,1127 0.312,1128 26.529,1129 12.941,1130 2.403,1131 7.392,1132 23.37,1133 3.753,1134 14.291,1135 17.628,1136 0.852,1137 28.941,1138 14.097,1139 2.166,1140 7.146,1141 25.228,1142 3.455,1143 15.395,1144 18.961,1145 0.273,1146 31.313,1147 15.198,1148 2.098,1149 6.43,1150 27.094,1151 3.115,1152 16.55,1153 20.415,1154 0.706,1155 33.719,1156 16.345,1157 1.983,1158 5.874,1159 28.966,1160 2.708,1161 17.684,1162 21.79,1163 0.236,1164 36.107,1165 17.472,1166 20460,1167 31273,1168 25.137,1169 44.006,1170 53.708,1171 55.295,1172 54.94,1173 53.286,1174 53.275,1175 67.415,1176 7.338,1177 145.349,1178 51.392,1179 5.528,1180 5.696,1181 6.669,1182 5.312,1183 5.225,1184 7.219,1185 1.776,1186 18.631,1187 5.186,1188 14.184,1189 1.452,1190 1.494,1191 1.485,1192 1.44,1193 1.44,1194 1.822,1195 0.198,1196 3.928,1197 1.389,1198 4.052,1199 4.059,1200 4.021,1201 3.966,1202 7.427,1203 3.977,1204 3.927,1205 3.966,1206 3.847,1207 3.856,1208 4.968,1209 3.849,1210 3.801,1211 3.839,1212 3.737,1213 3.715,1214 4.784,1215 3.716,1216 3.752,1217 3.792,1218 3.608,1219 3.638,1220 4.755,1221 3.621,1222 3.584,1223 3.656,1224 3.435,1225 3.407,1226 4.519,1227 3.402,1228 3.382,1229 3.446,1230 3.268,1231 3.18,1232 4.277,1233 3.185,1234 3.295,1235 3.341,1236 3.141,1237 3.089,1238 4.227,1239 3.103,1240 3.114,1241 3.173,1242 2.951,1243 2.892,1244 4.076,1245 2.887,1246 0.123,1247 0.1,1248 0.183,1249 0.114,1250 0.087,1251 4.565,1252 0.114,1253 3.696,1254 0.025,1255 6.778,1256 0.3,1257 4.211,1258 0.086,1259 3.225,1260 4.219,1261 0.916,1262 11.084,1263 3.186,1264 1.984,1265 1.979,1266 2.063,1267 2.086,1268 1.392,1269 2.071,1270 1.917,1271 1.884,1272 2.047,1273 2.023,1274 1.209,1275 2.038,1276 1.791,1277 1.759,1278 2.013,1279 1.94,1280 1.165,1281 1.967,1282 1.754,1283 1.707,1284 1.879,1285 1.869,1286 1.104,1287 1.873,1288 1.575,1289 1.504,1290 1.828,1291 1.777,1292 0.976,1293 1.798,1294 1.358,1295 1.285,1296 1.662,1297 1.595,1298 0.855,1299 1.621,1300 1.229,1301 1.189,1302 1.567,1303 1.515,1304 0.667,1305 1.53,1306 1.091,1307 1.023,1308 1.439,1309 1.338,1310 0.575,1311 1.371,1312 4.317,1314 5.602,1316 7.088,1318 8.676,1320 10.328,1322 3.78,1328 8.599,1330 17.147,1333 2.385,1340 41.309,1341 91.082,1342 208.603,1343 296.135,1344 344.654,1345 360.918,1346 368.918,1347 63.323,1348 8.057,1349 51.91,1350 51.91,1351 24,1352 12.603,1353 4.322,1354 3.459,1355 57.751,1356 209,1357 198,1358 0.13,1359 252.88,1360 447.88,1361 608.787,1362 44961,1364 23.753,1365 0.699,1366 0.591,1367 23.753,1368 20.088,1369 16.635,1370 0.45,1371 0.325,1372 11.884,1373 16.05,1374 11.557,1375 9.656,1376 16.635,1377 12.038,1378 14.253,1379 0.291,1380 0.179,1381 14.253,1382 8.791,1383 11.853,1384 0.188,1385 0.097,1386 11.853,1387 6.099,1388 9.778,1389 0.121,1390 0.052,1391 9.778,1392 4.208,1393 7.858,1394 0.076,1395 0.028,1396 7.858,1397 2.866,1398 0.218,1399 103.927,1400 0.199,1401 32.948,1402 0.318,1403 172,1404 480.587,1405 186.481,1406 455.504,1407 624.79,1408 430,1409 198,1410 455.67,1411 213.288,1412 462.147,1413 673.47,1414 433,1415 5.106}
{0 CHEMBL225451,1 1.359,2 17.441,3 6.665,4 44.42,5 135.687,6 6.86,7 0.486,8 4.275,9 4.384,10 3.775,11 3.82,12 5.302,13 3.784,14 4.832,15 5.007,16 4.084,17 4.191,18 5.79,19 4.132,20 5.08,21 5.287,22 4.163,23 4.327,24 6.019,25 4.241,26 5.157,27 5.398,28 4.077,29 4.299,30 6.102,31 4.183,32 5.094,33 5.342,34 3.907,35 4.252,36 5.937,37 4.108,38 5.057,39 5.32,40 3.797,41 4.187,42 5.844,43 4.021,44 5.012,45 5.285,46 3.672,47 4.089,48 5.735,49 3.922,50 4.897,51 5.155,52 3.576,53 4.014,54 5.658,55 3.844,56 0.032,57 0.867,58 14.907,59 6.826,60 9.236,61 8.865,62 0.228,63 1.432,64 27.95,65 10.982,66 24.988,67 14.585,68 0.294,69 1.751,70 36.661,71 14.299,72 38.979,73 19.152,74 0.586,75 1.842,76 40.734,77 15.02,78 65.243,79 20.698,80 0.421,81 1.746,82 37.968,83 14.45,84 48.583,85 20.007,86 0.385,87 1.683,88 36.526,89 14.149,90 46.267,91 19.965,92 0.376,93 1.575,94 35.516,95 13.079,96 37.688,97 18.369,98 0.369,99 1.405,100 31.369,101 11.972,102 36.698,103 16.595,104 11,105 49,106 0.215,107 0.492,108 0.702,109 0.845,110 0.899,111 0.899,112 3.559,113 0.976,114 -5.13,115 -5.03,116 -4.71,121 43.3,123 5,126 2,127 3,144 11,145 3,146 4,159 1,176 14,180 13,187 15,192 12,200 9,205 2,206 11,214 10,218 1,219 4,227 12,231 1,232 5,239 12,244 4,251 10,255 1,256 4,264 11,269 3,277 10,281 2228,282 23.422,283 23.422,284 23.422,285 23.422,286 23.422,287 21.194,288 26.112,289 14.312,290 23.928,291 18.26,292 18.26,293 18.26,294 18.26,295 18.26,296 14.791,297 34.345,298 6.81,299 18.973,300 4.707,301 2.953,302 1.628,303 0.724,304 0.381,305 0.381,306 4.26,312 1,313 1289,314 4.123,318 413.878,322 310.124,325 2.592,326 26.168,329 1,330 0.67,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.83,337 72.5,338 593,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 0.916,346 11.061,347 3.18,348 4.079,349 3.02,350 6.011,351 3.699,352 2.729,353 3.676,354 0.86,355 8.529,356 2.649,357 4.048,358 2.995,359 5.64,360 3.613,361 2.642,362 3.673,363 0.86,364 7.857,365 2.563,366 3.617,367 2.82,368 5.407,369 3.275,370 2.35,371 2.964,372 0.86,373 6.913,374 2.175,375 3.486,376 2.735,377 5.158,378 3.232,379 2.27,380 2.676,381 0.172,382 6.413,383 2.169,384 3.309,385 2.495,386 5.124,387 2.959,388 2.017,389 2.504,391 6.04,392 1.893,393 3.132,394 2.224,395 4.697,396 2.898,397 1.934,398 2.203,400 5.144,401 1.848,402 2.906,403 1.866,404 4.125,405 2.758,406 1.783,407 2.082,409 3.684,410 1.727,411 2.825,412 1.668,413 3.859,414 2.436,415 1.45,416 1.839,418 3.384,419 1.426,420 2.714,421 1.531,422 3.715,423 2.359,424 1.383,425 1.808,427 3.083,428 1.345,429 2.669,430 1.371,431 3.536,432 2.243,433 1.256,434 1.739,436 2.891,437 1.236,438 2.465,439 1.327,440 3.494,441 2.194,442 1.206,443 1.438,445 2.618,446 1.189,447 2.378,448 1.298,449 3.458,450 1.91,451 0.914,452 1.268,454 2.095,455 0.902,456 1.895,457 1.046,458 3.105,459 1.768,460 0.78,461 0.863,463 1.73,464 0.766,465 1.584,466 0.936,467 2.911,468 1.295,469 0.431,470 0.482,472 0.639,473 0.369,474 16.233,475 0.477,476 0.623,477 0.018,478 42,479 1.235,480 21,481 0.618,482 21,483 0.618,484 30.378,485 0.893,486 37.167,487 0.555,488 30.854,489 0.907,490 8.201,491 0.241,492 8.434,493 0.248,494 0.082,496 0.271,501 0.786,502 1.277,503 0.85,504 1.172,505 0.617,506 1.042,507 1.177,508 1.015,509 0.975,510 0.986,511 0.722,512 0.947,513 1.134,514 1.086,515 0.968,516 1.056,517 0.862,518 0.999,519 0.982,520 0.968,521 0.942,522 0.95,523 1.023,524 0.939,525 0.975,526 0.974,527 1.033,528 0.983,529 1.139,530 1.011,531 0.668,532 1.032,533 0.97,534 1.044,535 0.555,536 1.046,537 0.997,538 0.9,539 1.01,540 0.922,541 0.626,542 0.957,543 0.971,544 0.965,545 1.092,546 1.017,547 0.943,548 1.065,549 5.5,550 0.132,551 2.667,552 2.125,553 1.773,554 0.757,555 0.504,556 0.24,557 0.18,558 0.123,559 22227,560 52059,561 2.095,562 49.3,563 6,564 23,569 4,572 1.748,573 2,574 4.036,575 -0.846,582 91.082,583 1.359,584 3.113,585 4.439,586 5.342,587 5.685,588 5.685,589 3.466,590 4.911,591 5.064,592 4.256,593 2387.49,594 8.805,595 42291.2,600 406.428,601 1.223,602 5.037,603 0.149,604 0.006,605 0.054,606 0.042,607 0.039,608 0.02,609 0.015,610 0.008,611 0.007,612 0.005,613 0.345,614 0.33,615 0.88,616 0.608,617 191.339,618 0.015,619 -0.133,620 0.068,621 -0.073,622 0.009,623 -0.008,624 -0.094,625 0.075,626 0.005,627 0.028,628 0.029,629 0.035,630 -0.047,631 -0.073,632 0.02,633 -0.054,634 0.064,635 -0.014,636 0.109,637 0.015,638 0.061,639 0.019,640 0.155,641 0.033,642 -0.042,643 0.01,644 -0.051,645 -0.005,646 -0.073,647 -0.027,648 0.081,649 -0.062,650 -0.007,651 -0.064,652 0.078,653 -0.049,654 -0.075,655 0.058,656 -0.019,657 0.034,658 -0.031,659 0.02,660 -0.046,661 -0.006,662 -0.11,663 -0.042,664 -0.101,665 -0.079,666 1.669,667 5.636,668 0.588,669 44.18,670 0.993,671 1.119,672 3.9,673 15.212,674 0.657,675 3.638,676 3.912,677 4.159,678 4.407,679 4.635,680 4.691,681 4.779,682 4.868,683 4.927,684 4.828,685 10.246,686 0.617,687 459.63,688 3.638,689 5.153,690 5.984,691 6.841,692 7.69,693 8.559,694 9.419,695 10.295,696 11.164,697 12.046,698 1.5,701 1,715 11,720 7,722 18,727 1,739 3,741 67,743 19,744 3,745 37,747 70,748 29,749 18,750 7,751 11,752 1,756 4,757 7,770 5,772 19,773 10,777 1,782 1,786 1,793 33,794 5,796 5,802 1,808 0.5,809 4,829 4,833 2,855 1,859 2,864 2,868 34,876 8,878 3,881 1,893 6,896 1,898 3,901 17,902 12.533,903 7.694,904 4.233,907 3.268,908 1.408,909 0.966,910 8.617,911 11.286,912 3.871,913 4.401,914 4.943,915 5.486,916 6.009,917 6.198,918 6.519,919 6.847,920 7.16,921 7.324,922 1,923 51,924 12.613,926 5.224,927 0.026,929 7.583,931 24.61,933 19.928,936 2.083,937 70.833,941 388.446,942 180.659,943 3.124,945 58.145,948 180.659,949 446.591,950 3.124,951 19.279,952 21.476,953 104.239,954 30.278,955 66.654,957 388.446,959 388.446,960 183.783,961 58.145,964 341.362,965 105.229,968 24.601,969 159.182,972 388.446,973 61.269,974 180.659,977 388.446,978 57.14,979 126.642,981 58.145,982 388.446,983 61.269,984 180.659,986 0.564,987 0.326,988 0.178,989 0.097,990 21,991 9,992 0.171,993 12,994 2,995 1.2,996 4.799,997 288.42,998 0.2,999 20,1000 172.974,1005 24.311,1006 12.051,1007 6.626,1009 61.269,1010 21.07,1015 5.295,1018 630.374,1019 47,1024 12.636,1028 -0.002,1031 66.549,1032 74.979,1034 0.224,1035 0.513,1036 0.732,1037 0.881,1038 0.937,1039 0.937,1040 5.085,1041 1.783,1042 5.932,1043 5.144,1044 4.595,1045 5.088,1046 1.938,1047 6.693,1048 4.527,1049 6.248,1050 1.45,1051 7.453,1052 3.684,1053 4.007,1054 4.732,1055 0.325,1056 7.493,1057 3.907,1058 7.524,1059 1.383,1060 9.077,1061 3.384,1062 6.129,1063 7.197,1064 1.656,1065 10.617,1066 6.007,1067 8.838,1068 1.256,1069 10.766,1070 3.083,1071 6.399,1072 7.691,1073 0.393,1074 12.299,1075 6.26,1076 10.187,1077 1.206,1078 12.499,1079 2.891,1080 7.943,1081 9.611,1082 1.418,1083 14.942,1084 7.789,1085 11.564,1086 0.914,1087 14.264,1088 2.618,1089 8.648,1090 10.523,1091 0.384,1092 17.015,1093 8.489,1094 12.961,1095 0.78,1096 16.053,1097 2.095,1098 9.946,1099 12.193,1100 1.207,1101 19.497,1102 9.776,1103 3.215,1104 0.431,1105 17.86,1106 1.73,1107 10.877,1108 13.327,1109 0.351,1110 21.748,1111 10.706,1112 2.729,1113 11.061,1114 19.684,1115 0.639,1116 12.073,1117 14.872,1118 1.019,1119 24.176,1120 11.894,1121 2.642,1122 8.529,1123 21.52,1124 4.198,1125 13.117,1126 16.128,1127 0.312,1128 26.507,1129 12.937,1130 2.35,1131 7.857,1132 23.367,1133 3.676,1134 14.277,1135 17.609,1136 0.852,1137 28.916,1138 14.09,1139 2.27,1140 6.913,1141 25.224,1142 3.673,1143 15.377,1144 18.934,1145 0.273,1146 31.285,1147 15.188,1148 2.017,1149 6.413,1150 27.088,1151 2.964,1152 16.527,1153 20.383,1154 0.706,1155 33.689,1156 16.332,1157 1.934,1158 6.04,1159 28.96,1160 2.676,1161 17.656,1162 21.748,1163 0.236,1164 36.075,1165 17.456,1166 20884,1167 32229,1168 25.137,1169 44.006,1170 53.671,1171 55.356,1172 54.919,1173 53.262,1174 53.268,1175 67.401,1176 7.338,1177 145.354,1178 51.385,1179 5.516,1180 5.692,1181 6.664,1182 5.3,1183 5.215,1184 7.198,1185 1.776,1186 18.6,1187 5.18,1188 14.316,1189 1.451,1190 1.496,1191 1.484,1192 1.44,1193 1.44,1194 1.822,1195 0.198,1196 3.928,1197 1.389,1198 4.049,1199 4.057,1200 4.014,1201 3.966,1202 7.427,1203 3.975,1204 3.938,1205 3.969,1206 3.871,1207 3.857,1208 4.948,1209 3.856,1210 3.794,1211 3.838,1212 3.717,1213 3.713,1214 4.863,1215 3.71,1216 3.748,1217 3.788,1218 3.61,1219 3.638,1220 4.708,1221 3.621,1222 3.587,1223 3.658,1224 3.439,1225 3.408,1226 4.407,1227 3.404,1228 3.379,1229 3.448,1230 3.238,1231 3.181,1232 4.376,1233 3.182,1234 3.248,1235 3.312,1236 3.123,1237 3.057,1238 4.239,1239 3.07,1240 3.201,1241 3.227,1242 3.041,1243 2.967,1244 4.11,1245 2.973,1246 0.123,1247 0.1,1248 0.183,1249 0.114,1250 0.087,1251 4.553,1252 0.113,1253 3.692,1254 0.025,1255 6.774,1256 0.299,1257 4.203,1258 0.086,1259 3.215,1260 4.198,1261 0.916,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.062,1267 2.084,1268 1.392,1269 2.074,1270 1.912,1271 1.885,1272 2.048,1273 2.026,1274 1.21,1275 2.035,1276 1.792,1277 1.757,1278 2.006,1279 1.941,1280 1.164,1281 1.966,1282 1.756,1283 1.707,1284 1.89,1285 1.861,1286 1.104,1287 1.872,1288 1.575,1289 1.505,1290 1.828,1291 1.778,1292 0.976,1293 1.798,1294 1.361,1295 1.288,1296 1.663,1297 1.599,1298 0.855,1299 1.624,1300 1.197,1301 1.137,1302 1.57,1303 1.503,1304 0.669,1305 1.527,1306 1.145,1307 1.109,1308 1.44,1309 1.361,1310 0.576,1311 1.378,1312 4.317,1314 5.602,1316 7.088,1318 8.676,1320 10.327,1322 3.873,1328 8.466,1330 17.136,1333 2.36,1340 41.309,1341 91.082,1342 208.603,1343 297.381,1344 357.899,1345 380.918,1346 380.918,1347 62.416,1348 8.018,1349 51.91,1350 51.91,1351 24,1352 12.584,1353 4.322,1354 3.459,1355 57.816,1356 217,1357 186,1358 0.125,1359 252.88,1360 447.88,1361 608.787,1362 44801,1364 23.753,1365 0.699,1366 0.591,1367 23.753,1368 20.088,1369 16.635,1370 0.45,1371 0.325,1372 11.884,1373 16.05,1374 11.557,1375 9.656,1376 16.635,1377 12.038,1378 14.253,1379 0.291,1380 0.179,1381 14.253,1382 8.791,1383 11.838,1384 0.188,1385 0.097,1386 11.838,1387 6.089,1388 9.845,1389 0.122,1390 0.052,1391 9.845,1392 4.237,1393 7.869,1394 0.077,1395 0.028,1396 7.869,1397 2.874,1398 0.213,1399 103.927,1400 0.199,1401 33.02,1402 0.305,1403 172,1404 480.587,1405 186.481,1406 455.504,1407 624.79,1408 430,1409 198,1410 455.67,1411 213.288,1412 462.144,1413 673.41,1414 433,1415 4.398}
{0 CHEMBL225567,1 1.435,2 16.944,3 7.206,4 51.922,5 148.551,6 7.086,7 0.525,8 4.335,9 4.466,10 3.863,11 3.924,12 5.3,13 3.869,14 4.91,15 5.096,16 4.217,17 4.349,18 5.825,19 4.255,20 5.222,21 5.471,22 4.267,23 4.476,24 6.062,25 4.35,26 5.214,27 5.463,28 4.196,29 4.433,30 6.075,31 4.3,32 5.196,33 5.456,34 4.097,35 4.402,36 5.996,37 4.25,38 5.204,39 5.468,40 4.092,41 4.377,42 6.031,43 4.21,44 5.185,45 5.462,46 3.97,47 4.317,48 5.976,49 4.126,50 5.078,51 5.356,52 3.811,53 4.201,54 5.853,55 4.002,56 0.067,57 1.013,58 15.717,59 6.75,60 7.984,61 9.436,62 0.197,63 1.691,64 29.903,65 12.056,66 21.727,67 17.089,68 0.339,69 2.129,70 45.233,71 16.032,72 40.516,73 22.955,74 0.454,75 2.125,76 44.549,77 15.117,78 49.058,79 21.872,80 0.338,81 2.049,82 42.747,83 15.488,84 38.917,85 22.318,86 0.435,87 1.988,88 44.478,89 16.185,90 47.601,91 23.046,92 0.394,93 1.874,94 46.793,95 16.272,96 48.649,97 22.872,98 0.373,99 1.65,100 44.651,101 14.711,102 45.45,103 20.586,104 5,105 54,106 0.223,107 0.54,108 0.718,109 0.851,110 0.881,111 0.894,112 3.615,113 1.03,114 -5.26,115 -5.15,116 -4.81,121 42.3,123 10,127 2,144 7,145 4,146 2,148 2,153 1,154 1,160 1,176 16,180 5,183 1,185 8,187 19,192 4,197 8,200 13,206 5,209 1,211 9,214 14,219 2,224 4,227 15,232 3,235 1,236 1,237 2,239 18,244 4,248 1,249 2,251 16,256 2,261 2,264 13,269 1,272 1,274 4,277 11,281 2522,282 24.966,283 24.966,284 24.966,285 24.966,286 24.966,287 22.342,288 21.925,289 15.236,290 25.304,291 19.817,292 19.817,293 19.817,294 19.817,295 19.817,296 15.708,297 19.791,298 7.313,299 20.398,300 4.715,301 2.675,302 1.531,303 0.676,304 0.479,305 0.394,306 4.327,308 1,312 1,313 1358,314 4.183,317 93.25,318 391.07,321 172.716,322 317.44,325 2.404,326 24.511,329 0.75,330 0.67,331 0.67,332 0.7,333 0.5,334 0.67,335 0.5,336 0.64,337 75.333,338 610,339 4.651,340 3.58,341 6.833,342 4.214,343 3.235,344 4.582,345 1.907,346 11.364,347 3.165,348 4.524,349 3.373,350 6.526,351 4.049,352 3.062,353 4.473,354 0.4,355 10.265,356 3.022,357 3.99,358 3.127,359 6.004,360 3.58,361 2.61,362 3.534,363 0.149,364 8.477,365 2.532,366 3.668,367 2.943,368 5.427,369 3.389,370 2.383,371 2.961,373 6.886,374 2.385,375 3.584,376 2.562,377 5.173,378 3.192,379 2.252,380 2.872,382 6.283,383 2.103,384 3.384,385 2.272,386 4.979,387 2.983,388 1.995,389 2.705,391 5.765,392 1.971,393 3.365,394 2.192,395 4.899,396 2.889,397 1.983,398 2.699,400 5.573,401 1.821,402 3.046,403 1.92,404 4.183,405 2.817,406 1.825,407 2.318,409 3.785,410 1.703,411 2.867,412 1.718,413 4.121,414 2.518,415 1.546,416 1.878,418 3.741,419 1.501,420 2.675,421 1.546,422 3.976,423 2.468,424 1.491,425 1.73,427 3.404,428 1.45,429 2.653,430 1.473,431 3.802,432 2.406,433 1.416,434 1.71,436 3.235,437 1.398,438 2.497,439 1.433,440 3.607,441 2.249,442 1.257,443 1.496,445 2.981,446 1.246,447 2.466,448 1.301,449 3.588,450 2.197,451 1.204,452 1.462,454 2.801,455 1.195,456 2.17,457 1.272,458 3.446,459 2.016,460 1.049,461 1.114,463 2.402,464 1.008,465 2.1,466 1.007,467 3.226,468 1.771,469 0.801,470 1.009,472 1.831,473 0.773,474 17.648,475 0.49,476 0.657,477 0.018,478 42.5,479 1.181,480 20,481 0.556,482 22.5,483 0.625,484 37.035,485 1.029,486 38.752,487 0.546,488 29.065,489 0.807,490 7.572,491 0.21,492 10.115,493 0.281,494 0.059,496 0.283,501 0.759,502 1.212,503 0.75,504 0.989,505 0.559,506 0.958,507 0.688,508 1.231,509 0.821,510 1.071,511 0.54,512 1.056,513 1.012,514 1.043,515 0.888,516 0.932,517 0.964,518 0.924,519 1.163,520 1.033,521 0.949,522 0.977,523 1.13,524 1.012,525 0.999,526 1.019,527 0.871,528 0.979,529 0.941,530 1.019,531 0.867,532 1.002,533 0.865,534 1.02,535 1.068,536 1.038,537 1.1,538 0.931,539 1.066,540 1.009,541 1.226,542 1.019,543 1.27,544 0.921,545 1.293,546 1.052,547 1.326,548 1.039,549 5,550 0.102,551 3.556,552 2.167,553 1.653,554 0.778,555 0.675,556 0.315,557 0.228,558 0.127,559 26171,560 59091,561 2.154,562 49.3,563 12,564 11,565 1,567 3,568 4,569 4,572 1.764,573 2.077,574 3.931,575 0.718,582 101.9,583 1.435,584 3.474,585 4.619,586 5.474,587 5.671,588 5.755,589 3.253,590 4.837,591 5.149,592 4.206,593 2649.8,594 8.985,595 48203.7,600 436.632,601 1.135,602 5.128,603 0.125,604 0.004,605 0.066,606 0.039,607 0.034,608 0.018,609 0.016,610 0.009,611 0.008,612 0.005,613 0.323,614 0.17,615 0.63,616 0.375,617 204.572,618 -0.036,619 -0.011,620 0.031,621 0.038,622 0.016,623 0.049,624 0.064,625 -0.12,626 0.001,627 -0.067,628 0.089,629 -0.059,630 -0.045,631 -0.028,632 0.037,633 0.041,634 -0.028,635 0.055,636 -0.069,637 0.011,638 -0.059,639 -0.033,640 -0.074,641 -0.058,642 -0.083,643 -0.009,644 -0.033,645 -0.026,646 -0.045,647 -0.05,648 0.102,649 -0.037,650 0.023,651 -0.05,652 0.034,653 -0.057,654 -0.039,655 -0.007,656 -0.025,657 -0.02,658 -0.042,659 -0.03,660 -0.122,661 -0.012,662 -0.112,663 -0.044,664 -0.106,665 -0.044,666 1.531,667 5.267,668 0.639,669 43.17,670 0.989,671 1.124,672 4.029,673 16.235,674 0.669,675 3.714,676 4.007,677 4.29,678 4.575,679 4.812,680 4.883,681 4.99,682 5.088,683 5.063,684 4.949,685 10.121,686 0.621,687 503.14,688 3.714,689 5.242,690 6.089,691 6.959,692 7.828,693 8.71,694 9.59,695 10.479,696 11.365,697 12.258,698 5.6,703 1,705 1,706 1,708 1,714 4,715 8,716 1,717 1,720 5,722 21,734 1,740 1,741 71,743 22,744 2,745 40,747 75,748 30,749 17,750 5,751 7,756 5,757 9,758 1,767 4,770 10,772 18,773 12,777 1,782 1,786 1,793 35,794 4,795 3,796 6,797 1,802 4,808 0.4,809 1,822 1,824 1,828 1,829 4,832 1,833 2,843 1,859 2,865 1,868 36,876 12,877 2,892 1,893 1.4,896 1,901 17.333,902 12.426,903 8,904 4.851,907 4.104,908 1.49,909 1.015,910 8.452,911 12.471,912 3.961,913 4.562,914 5.182,915 5.811,916 6.37,917 6.7,918 7.063,919 7.414,920 7.512,921 7.407,922 0.909,923 55,924 13.382,926 5.671,927 0.026,929 7.508,931 26.547,933 22.483,936 2.008,937 72.278,941 376.675,942 134.462,943 69.593,944 39.149,945 25.145,948 134.462,949 440.969,950 69.593,952 47.567,953 75.381,954 64.646,955 39.461,956 13.915,957 364.904,958 39.149,959 376.675,960 204.055,961 25.145,962 39.149,964 329.591,965 72.229,968 69.254,969 100.004,970 73.945,972 376.675,973 94.737,974 173.611,977 376.675,978 59.081,979 75.381,980 52.807,981 81.079,982 376.675,983 94.737,984 173.611,986 0.568,987 0.329,988 0.186,989 0.105,990 25,991 10,992 0.147,993 11,994 3,995 1.261,996 4.973,997 325.159,998 0.261,999 23,1000 186.117,1005 25.106,1006 12.119,1007 6.241,1008 4.508,1009 77.952,1010 16.294,1011 4.91,1012 3.279,1015 5.834,1017 52.807,1018 645.023,1019 51.5,1024 12.267,1028 0.136,1031 70.196,1032 79.79,1034 0.233,1035 0.565,1036 0.751,1037 0.89,1038 0.922,1039 0.936,1040 5.183,1041 1.825,1042 6.043,1043 5.573,1044 4.691,1045 5.25,1046 1.997,1047 6.834,1048 4.637,1049 6.37,1050 1.546,1051 7.579,1052 3.785,1053 4.111,1054 5.085,1055 1.593,1056 7.711,1057 4.016,1058 7.672,1059 1.491,1060 9.224,1061 3.741,1062 6.248,1063 7.509,1064 2.907,1065 10.859,1066 6.152,1067 9.019,1068 1.416,1069 10.937,1070 3.404,1071 6.567,1072 8.26,1073 3.032,1074 12.65,1075 6.444,1076 10.405,1077 1.257,1078 12.697,1079 3.235,1080 8.113,1081 10.134,1082 4.038,1083 15.301,1084 7.984,1085 11.821,1086 1.204,1087 14.491,1088 2.981,1089 8.874,1090 11.303,1091 4.409,1092 17.455,1093 8.724,1094 13.259,1095 1.049,1096 16.308,1097 2.801,1098 10.176,1099 12.961,1100 5.25,1101 19.943,1102 10.014,1103 3.235,1104 0.801,1105 18.144,1106 2.402,1107 11.15,1108 14.321,1109 5.75,1110 22.244,1111 10.969,1112 3.062,1113 11.364,1114 19.993,1115 1.831,1116 12.354,1117 15.891,1118 6.501,1119 24.678,1120 12.159,1121 2.61,1122 10.265,1123 21.853,1124 4.582,1125 13.427,1126 17.336,1127 7.068,1128 27.04,1129 13.212,1130 2.383,1131 8.477,1132 23.722,1133 4.473,1134 14.596,1135 18.87,1136 7.771,1137 29.457,1138 14.363,1139 2.252,1140 6.886,1141 25.597,1142 3.534,1143 15.714,1144 20.352,1145 8.374,1146 31.846,1147 15.461,1148 1.995,1149 6.283,1150 27.477,1151 2.961,1152 16.871,1153 21.872,1154 9.051,1155 34.259,1156 16.6,1157 1.983,1158 5.765,1159 29.363,1160 2.872,1161 18.009,1162 23.371,1163 9.674,1164 36.662,1165 17.718,1166 23927,1167 36135,1168 27.622,1169 47.518,1170 58.757,1171 60.211,1172 59.891,1173 58.859,1174 58.656,1175 75.945,1176 4.912,1177 163.079,1178 56.904,1179 5.621,1180 5.58,1181 6.722,1182 5.255,1183 5.235,1184 7.582,1185 3.306,1186 18.902,1187 5.165,1188 11.942,1189 1.469,1190 1.505,1191 1.497,1192 1.471,1193 1.466,1194 1.899,1195 0.123,1196 4.077,1197 1.423,1198 4.141,1199 4.175,1200 4.132,1201 4.064,1202 7.429,1203 4.067,1204 4.099,1205 4.129,1206 4.075,1207 4.027,1208 5.04,1209 4.031,1210 3.78,1211 3.844,1212 3.778,1213 3.664,1214 4.966,1215 3.649,1216 3.736,1217 3.78,1218 3.643,1219 3.63,1220 4.685,1221 3.618,1222 3.642,1223 3.699,1224 3.515,1225 3.485,1226 4.311,1227 3.484,1228 3.478,1229 3.549,1230 3.407,1231 3.326,1232 4.273,1233 3.32,1234 3.366,1235 3.428,1236 3.316,1237 3.204,1238 4.183,1239 3.208,1240 3.254,1241 3.316,1242 3.208,1243 3.129,1244 4.139,1245 3.116,1246 0.116,1247 0.089,1248 0.171,1249 0.105,1250 0.081,1251 4.651,1252 0.115,1253 3.58,1254 0.048,1255 6.833,1256 0.284,1257 4.214,1258 0.079,1259 3.235,1260 4.582,1261 1.907,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.149,1267 2.158,1268 1.437,1269 2.159,1270 1.941,1271 1.918,1272 2.042,1273 2.02,1274 1.365,1275 2.028,1276 1.772,1277 1.712,1278 2.014,1279 1.952,1280 1.242,1281 1.973,1282 1.75,1283 1.707,1284 1.925,1285 1.865,1286 1.153,1287 1.892,1288 1.676,1289 1.624,1290 1.87,1291 1.857,1292 1.072,1293 1.867,1294 1.508,1295 1.436,1296 1.763,1297 1.728,1298 1.03,1299 1.742,1300 1.344,1301 1.286,1302 1.544,1303 1.58,1304 0.759,1305 1.578,1306 1.244,1307 1.191,1308 1.474,1309 1.429,1310 0.689,1311 1.451,1312 4.394,1314 5.694,1315 2.398,1316 7.192,1317 4.727,1318 8.795,1319 6.823,1320 10.46,1323 6.235,1328 11.997,1329 6.818,1340 44.057,1341 101.9,1342 246.677,1343 327.961,1344 388.632,1345 402.632,1346 408.632,1347 60.368,1348 8.367,1349 69.81,1350 69.81,1351 29,1352 12.786,1353 4.524,1354 3.644,1355 55.206,1356 228,1357 188,1358 0.114,1359 271.806,1360 463.76,1361 654.967,1362 73098,1363 1.4,1364 24.744,1365 0.687,1366 0.6,1367 25.244,1368 21.593,1369 17.687,1370 0.442,1371 0.343,1372 13.297,1373 17.04,1374 13.015,1375 10.754,1376 17.975,1377 13.732,1378 15.377,1379 0.285,1380 0.19,1381 15.785,1382 10.268,1383 12.973,1384 0.18,1385 0.104,1386 13.235,1387 7.484,1388 11.023,1389 0.115,1390 0.057,1391 11.258,1392 5.487,1393 9.125,1394 0.075,1395 0.033,1396 9.356,1397 3.986,1398 0.191,1399 111.643,1400 0.19,1401 34.317,1402 0.281,1403 188,1404 438.583,1405 212.95,1406 465.37,1407 640.71,1408 438,1409 220,1410 456.668,1411 239.246,1412 474.812,1413 696.68,1414 452,1415 10.699}
{0 CHEMBL225577,1 1.163,2 15.4,3 7.435,4 55.285,5 126.498,6 6.229,7 0.667,8 4.204,9 4.341,10 3.634,11 3.8,12 5.109,13 3.726,14 4.772,15 4.971,16 3.916,17 4.197,18 5.573,19 4.082,20 5.091,21 5.36,22 3.961,23 4.344,24 5.782,25 4.187,26 5.105,27 5.38,28 3.825,29 4.324,30 5.769,31 4.138,32 5.1,33 5.39,34 3.655,35 4.269,36 5.716,37 4.049,38 5.041,39 5.35,40 3.487,41 4.148,42 5.6,43 3.91,44 4.92,45 5.228,46 3.422,47 4.041,48 5.481,49 3.813,50 4.829,51 5.129,52 3.376,53 3.974,54 5.411,55 3.754,56 0.075,57 0.866,58 15.239,59 6.432,60 10.981,61 9.251,62 0.16,63 1.47,64 26.919,65 10.759,66 18.12,67 15.721,68 0.218,69 1.9,70 36.603,71 14.637,72 25.21,73 21.439,74 0.215,75 1.895,76 36.937,77 15.055,78 25.37,79 21.936,80 0.19,81 1.832,82 36.417,83 15.448,84 24.242,85 22.296,86 0.174,87 1.688,88 34.114,89 14.52,90 21.304,91 20.96,92 0.157,93 1.5,94 30.24,95 12.8,96 18.41,97 18.5,98 0.145,99 1.382,100 27.661,101 11.683,102 17.106,103 16.89,105 42,106 0.185,107 0.416,108 0.546,109 0.669,110 0.726,111 0.746,112 3.439,113 1.077,114 -6.56,115 -6.39,116 -5.92,121 43.8,123 8,127 2,144 12,145 2,147 2,148 2,176 19,187 18,189 8,200 15,203 8,214 16,216 4,227 17,229 2,239 16,241 2,251 15,253 2,264 14,266 2,277 14,279 2,281 1536,282 21.209,283 21.209,284 21.209,285 21.209,286 21.209,287 18.635,288 9.487,289 13.381,290 21.422,291 16.38,292 16.38,293 16.38,294 16.38,295 16.38,296 12.62,297 5,298 6.406,299 16.743,300 4.837,301 3.387,302 2.571,303 1.797,304 1.438,305 1.313,306 4.148,312 1,313 1020,314 3.606,318 358.586,322 304.634,325 2.32,326 6.673,329 0.75,330 0.67,331 0.67,332 0.7,333 0.5,334 0.67,335 0.5,336 0.64,337 61,338 462,339 4.493,340 3.069,341 6.505,342 3.994,343 3.03,344 4.43,346 10.194,347 2.924,348 4.493,349 3.069,350 6.505,351 3.994,352 3.03,353 4.43,355 10.194,356 2.924,357 3.515,358 2.227,359 5.203,360 3.11,361 2.148,362 2.908,364 6.251,365 2.063,366 3.514,367 2.223,368 5.203,369 3.1,370 2.141,371 2.908,373 6.251,374 2.047,375 3.118,376 1.885,377 4.18,378 2.875,379 1.881,380 2.427,382 3.893,383 1.865,384 3.118,385 1.618,386 4.178,387 2.614,388 1.618,389 2.427,391 3.833,392 1.612,393 2.912,394 1.618,395 3.908,396 2.614,397 1.618,398 1.929,400 3.738,401 1.612,402 2.777,403 1.618,404 3.699,405 2.612,406 1.618,407 1.908,409 3.312,410 1.607,411 2.77,412 1.324,413 3.601,414 2.305,415 1.312,416 1.891,418 2.886,419 1.301,420 2.676,421 1.276,422 3.579,423 2.263,424 1.272,425 1.689,427 2.823,428 1.259,429 2.461,430 1.239,431 3.442,432 2.229,433 1.237,434 1.451,436 2.629,437 1.226,438 2.349,439 1.041,440 3.318,441 1.99,442 1,443 1.299,445 2.226,446 0.989,447 2.154,448 0.882,449 3.17,450 1.842,451 0.853,452 1.089,454 1.91,455 0.842,456 1.777,457 0.618,458 2.901,459 1.607,460 0.618,461 0.705,463 1.331,464 0.611,465 1.386,466 0.26,467 2.587,468 1.213,469 0.228,470 0.254,472 0.496,473 0.224,474 14.8,475 0.493,476 0.342,477 0.011,478 36,479 1.2,480 18,481 0.6,482 18,483 0.6,484 27.376,485 0.913,486 32,487 0.5,488 22.031,489 0.734,490 6.504,491 0.217,492 8.411,493 0.28,496 0.189,501 1.024,502 1.284,503 0.981,504 1.108,505 0.832,506 1.054,507 1.49,508 1.232,509 1.132,510 1.126,511 0.922,512 1.114,513 1.253,514 0.989,515 0.949,516 0.924,517 0.768,518 0.923,519 1.271,520 0.999,521 1.074,522 1.014,523 0.973,524 1.031,525 0.937,526 1.009,527 1.072,528 1.063,529 1.053,530 1.072,531 0.788,532 0.946,533 0.98,534 0.992,535 0.936,536 0.995,537 0.819,538 0.915,539 0.95,540 0.953,541 0.889,542 0.957,543 0.874,544 0.948,545 0.985,546 0.984,547 0.956,548 0.989,549 2.5,550 0.066,551 2.444,552 1.25,553 0.871,554 0.306,555 0.201,556 0.142,557 0.106,558 0.082,559 16509,560 29195,561 2.169,562 53.1,563 12,564 16,566 2,569 4,572 1.715,573 2.143,574 3.83,575 -0.924,582 74.42,583 1.163,584 2.613,585 3.429,586 4.203,587 4.563,588 4.688,589 3.14,590 3.774,591 4.888,592 4.081,593 1775.05,594 8.444,595 28902.2,600 384,601 0.722,602 4.885,603 0.076,604 0.003,605 0.058,606 0.029,607 0.024,608 0.011,609 0.008,610 0.006,611 0.005,612 0.004,613 0.224,614 0.5,615 0.75,617 162.516,618 0.144,619 -0.127,620 0.071,621 -0.026,622 0.21,623 0.01,624 -0.069,625 -0.121,626 -0.093,627 -0.108,628 0.056,629 -0.103,630 0.005,631 0.029,632 0.054,633 0.05,634 0.162,635 0.054,636 -0.127,637 0.002,638 -0.081,639 -0.038,640 -0.032,641 -0.054,642 -0.089,643 -0.053,644 -0.102,645 -0.082,646 -0.138,647 -0.09,648 -0.014,649 -0.02,650 -0.022,651 -0.022,652 -0.08,653 -0.022,654 -0.005,655 0.017,656 0.012,657 0.017,658 -0.044,659 0.016,660 -0.027,661 -0.004,662 -0.019,663 -0.011,664 -0.087,665 -0.014,666 0.371,667 0.403,668 0.667,669 32.32,670 0.974,671 1.119,672 5.332,673 28.431,674 0.659,675 3.526,676 3.761,677 4.025,678 4.263,679 4.454,680 4.369,681 4.407,682 4.419,683 4.431,684 4.174,685 9.382,686 0.601,687 398.64,688 3.526,689 5.017,690 5.844,691 6.683,692 7.527,693 8.377,694 9.227,695 10.083,696 10.938,697 11.796,698 3.1,708 2,714 4,715 14,721 2,722 22,741 64,743 22,744 2,745 33,747 67,748 28,749 18,750 4,751 8,756 4,757 6,770 8,772 18,773 10,793 34,796 2,802 2,803 2,808 0.5,822 2,829 4,833 2,859 2,868 30,876 10,901 14,902 11.167,903 6.861,904 4.528,907 4.29,908 1.563,909 1.001,910 7.715,911 11.911,912 3.807,913 4.382,914 5.017,915 5.629,916 6.194,917 6.363,918 6.693,919 6.984,920 7.27,921 6.612,922 0.9,923 43,924 11.128,926 4.548,927 0.026,929 7.289,931 22.577,933 18.736,936 1.789,937 53.667,941 400.217,942 165.732,943 3.798,948 165.732,949 400.217,950 3.798,952 24.488,953 113.715,954 27.34,955 27.529,957 376.675,959 400.217,960 169.53,964 353.133,965 47.084,968 46.871,969 118.861,970 3.798,972 400.217,973 3.798,974 165.732,977 400.217,978 33.922,979 135.608,982 400.217,983 3.798,984 165.732,986 0.551,987 0.323,988 0.185,989 0.099,990 18,991 6,992 0.164,993 11,994 2,995 1.2,996 4.57,997 239.929,998 0.2,999 20,1000 109.207,1005 20.841,1006 11.105,1007 5.82,1008 5.372,1010 30.53,1016 4.806,1018 569.747,1019 44,1031 62.341,1032 71.64,1034 0.194,1035 0.436,1036 0.572,1037 0.7,1038 0.76,1039 0.781,1040 4.98,1041 1.618,1042 5.753,1043 3.738,1044 4.443,1045 5.069,1047 6.488,1048 4.396,1049 6.14,1050 1.312,1051 7.248,1052 3.312,1053 3.611,1054 4.691,1056 7.273,1057 3.483,1058 7.414,1059 1.272,1060 8.859,1061 2.886,1062 5.932,1063 7.318,1065 10.427,1066 5.82,1067 8.737,1068 1.237,1069 10.548,1070 2.823,1071 6.089,1072 7.942,1074 12.183,1075 5.887,1076 10.105,1077 1,1078 12.292,1079 2.629,1080 7.738,1081 9.93,1083 14.795,1084 7.549,1085 11.507,1086 0.853,1087 14.073,1088 2.226,1089 8.401,1090 11.026,1092 16.902,1093 8.135,1094 12.934,1095 0.618,1096 15.879,1097 1.91,1098 9.744,1099 12.736,1101 19.334,1102 9.476,1103 3.03,1104 0.228,1105 17.704,1106 1.331,1107 10.653,1108 14.049,1110 21.572,1111 10.323,1112 3.03,1113 10.194,1114 19.54,1115 0.496,1116 11.861,1117 15.636,1119 23.938,1120 11.515,1121 2.148,1122 10.194,1123 21.386,1124 4.43,1125 12.883,1126 17.046,1128 26.226,1129 12.486,1130 2.141,1131 6.251,1132 23.238,1133 4.43,1134 14.033,1135 18.58,1137 28.566,1138 13.612,1139 1.881,1140 6.251,1141 25.095,1142 2.908,1143 15.104,1144 20.033,1146 30.874,1147 14.639,1148 1.618,1149 3.893,1150 26.956,1151 2.908,1152 16.229,1153 21.541,1155 33.203,1156 15.735,1157 1.618,1158 3.833,1159 28.819,1160 2.427,1161 17.322,1162 23.014,1164 35.519,1165 16.787,1166 15210,1167 20336,1168 23.227,1169 42.194,1170 47.022,1171 47.204,1172 47.596,1173 47.266,1174 47.209,1175 63.488,1177 123.937,1178 46.213,1179 5.455,1180 5.069,1181 6.43,1182 5.031,1183 5.03,1184 7.43,1186 16.969,1187 4.924,1189 1.425,1190 1.43,1191 1.442,1192 1.432,1193 1.431,1194 1.924,1196 3.756,1197 1.4,1198 4.131,1199 4.169,1200 4.08,1201 4.042,1202 4.941,1203 4.047,1204 4.092,1205 4.128,1206 4.046,1207 4.007,1208 4.908,1209 4.012,1210 3.789,1211 3.851,1212 3.629,1213 3.677,1214 4.365,1215 3.657,1216 3.648,1217 3.712,1218 3.5,1219 3.522,1220 4.363,1221 3.507,1222 3.525,1223 3.586,1224 3.406,1225 3.4,1226 4.198,1227 3.394,1228 3.451,1229 3.508,1230 3.322,1231 3.347,1232 4.063,1233 3.335,1234 3.345,1235 3.41,1236 3.183,1237 3.225,1238 3.951,1239 3.206,1240 3.178,1241 3.253,1242 3.028,1243 3.022,1244 3.831,1245 3.014,1246 0.136,1247 0.093,1248 0.197,1249 0.121,1250 0.092,1251 4.493,1252 0.134,1253 3.069,1255 6.505,1256 0.309,1257 3.994,1258 0.089,1259 3.03,1260 4.43,1262 10.194,1263 2.924,1264 2.071,1265 2.041,1266 2.165,1267 2.18,1268 1.439,1269 2.178,1270 2.07,1271 2.04,1272 2.161,1273 2.179,1274 1.357,1275 2.176,1276 1.806,1277 1.746,1278 2.047,1279 1.954,1280 1.289,1281 1.99,1282 1.668,1283 1.605,1284 1.919,1285 1.827,1286 1.204,1287 1.862,1288 1.525,1289 1.469,1290 1.758,1291 1.691,1292 1.038,1293 1.717,1294 1.462,1295 1.412,1296 1.664,1297 1.607,1298 0.823,1299 1.631,1300 1.374,1301 1.312,1302 1.619,1303 1.528,1304 0.688,1305 1.564,1306 1.188,1307 1.114,1308 1.489,1309 1.387,1310 0.647,1311 1.425,1312 4.205,1314 5.46,1316 6.929,1318 8.508,1320 10.149,1328 12.959,1340 38.472,1341 74.42,1342 167.239,1343 219.471,1344 268.98,1345 292,1346 300,1347 38.414,1348 7.622,1349 7.76,1350 7.76,1351 24,1352 12.349,1353 4.524,1354 3.585,1355 47.825,1356 177,1357 114,1358 0.126,1359 237.024,1360 398.16,1361 570.1,1362 29639,1364 20.435,1365 0.681,1366 0.605,1367 20.435,1368 18.154,1369 14.916,1370 0.452,1371 0.359,1372 11.79,1373 14.716,1374 11.562,1375 9.681,1376 14.916,1377 11.85,1378 12.205,1379 0.291,1380 0.205,1381 12.205,1382 8.605,1383 10.346,1384 0.188,1385 0.116,1386 10.346,1387 6.402,1388 8.734,1389 0.125,1390 0.067,1391 8.734,1392 4.713,1393 7.126,1394 0.084,1395 0.04,1396 7.126,1397 3.36,1398 0.215,1399 90.645,1400 0.207,1401 29.862,1402 0.306,1403 150,1404 266.666,1405 154.829,1406 274.846,1407 396.92,1408 262,1409 172,1410 307.07,1411 177.995,1412 316.572,1413 459.74,1414 302,1415 7.31}
{0 CHEMBL225610,1 1.382,2 13.357,3 4.733,4 22.398,5 110.777,6 7.323,7 0.581,8 4.021,9 4.122,10 3.586,11 3.608,12 5.101,13 3.581,14 4.55,15 4.706,16 3.915,17 3.976,18 5.58,19 3.935,20 4.798,21 4.979,22 3.986,23 4.094,24 5.818,25 4.029,26 4.866,27 5.091,28 3.878,29 4.029,30 5.902,31 3.935,32 4.734,33 4.956,34 3.692,35 3.957,36 5.675,37 3.84,38 4.73,39 4.977,40 3.549,41 3.869,42 5.608,43 3.728,44 4.572,45 4.821,46 3.428,47 3.731,48 5.392,49 3.593,50 4.464,51 4.694,52 3.343,53 3.616,54 5.359,55 3.494,56 0.013,57 0.648,58 10.282,59 4.955,60 6.43,61 6.232,62 0.139,63 1.092,64 19.41,65 7.98,66 16.578,67 10.158,68 0.202,69 1.335,70 26.251,71 10.636,72 29.718,73 13.544,74 0.565,75 1.408,76 30.282,77 11.209,78 57.552,79 14.82,80 0.212,81 1.252,82 25.573,83 10.285,84 37.34,85 13.647,86 0.368,87 1.223,88 26.649,89 10.273,90 44.231,91 13.845,92 0.164,93 1.067,94 22.274,95 8.801,96 24.771,97 12.025,98 0.277,99 0.932,100 20.202,101 7.667,102 31.125,103 10.07,104 5,105 42,106 0.23,107 0.518,108 0.693,109 0.827,110 0.878,111 0.878,112 3.374,113 0.921,114 -4.64,115 -4.56,116 -4.29,121 47.1,123 1,126 1,127 3,144 12,145 3,146 3,159 1,176 12,180 11,187 14,192 8,200 8,205 3,206 9,214 9,219 2,227 9,231 1,232 6,239 7,244 5,251 2,255 1,256 5,264 4,269 1,277 7,281 1272,282 19.275,283 19.275,284 19.275,285 19.275,286 19.275,287 17.02,288 21.798,289 11.69,290 19.603,291 15.349,292 15.349,293 15.349,294 15.349,295 15.349,296 11.958,297 30.091,298 5.615,299 15.875,300 4.291,301 2.566,302 1.517,303 0.713,304 0.407,305 0.407,306 4.077,311 1,312 1,313 824,314 3.391,318 300.453,322 222.465,325 2,326 22.358,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 59.5,338 374,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 0.916,346 11.061,347 3.18,348 4.048,349 2.997,350 6.011,351 3.615,352 2.645,353 3.676,354 0.86,355 8.529,356 2.565,357 3.927,358 2.942,359 5.484,360 3.595,361 2.623,362 3.455,363 0.86,364 7.392,365 2.558,366 3.617,367 2.819,368 5.407,369 3.234,370 2.274,371 2.964,372 0.172,373 6.913,374 2.173,375 3.318,376 2.498,377 5.125,378 3.102,379 2.152,380 2.504,382 6.041,383 2.032,384 3.28,385 2.358,386 4.818,387 2.942,388 2.006,389 2.36,391 5.513,392 1.856,393 2.905,394 1.717,395 4.125,396 2.474,397 1.491,398 2.081,400 3.384,401 1.463,402 2.843,403 1.595,404 3.72,405 2.427,406 1.435,407 1.959,409 3.145,410 1.42,411 2.715,412 1.484,413 3.637,414 2.271,415 1.31,416 1.811,418 3.066,419 1.252,420 2.5,421 1.37,422 3.522,423 2.24,424 1.254,425 1.5,427 2.819,428 1.231,429 2.478,430 1.298,431 3.459,432 2,433 1,434 1.451,436 2.136,437 1,438 2.364,439 1,440 3.247,441 1.88,442 0.853,443 1.247,445 2.038,446 0.869,447 1.552,448 0.76,449 2.945,450 1.342,451 0.419,452 0.456,454 0.966,455 0.383,456 1.392,457 0.511,458 2.911,459 0.967,465 1.08,466 0.146,467 2.566,468 0.813,469 -0.153,470 -0.178,472 -0.379,473 -0.147,474 13.4,475 0.479,476 0.554,477 0.02,478 38,479 1.357,480 20.5,481 0.732,482 17.5,483 0.625,484 20.548,485 0.734,486 29.2,487 0.573,488 27.235,489 0.973,490 7.717,491 0.276,492 5.987,493 0.214,494 0.062,496 0.291,501 0.754,502 1.186,503 0.776,504 1.063,505 0.601,506 0.945,507 1.128,508 0.987,509 0.935,510 0.955,511 0.702,512 0.909,513 1.251,514 1.115,515 1.003,516 1.083,517 0.916,518 1.02,519 1.092,520 0.881,521 0.958,522 0.881,523 1.114,524 0.895,525 1.017,526 1.064,527 1.051,528 1.072,529 1.246,530 1.067,531 0.973,532 0.945,533 1.019,534 0.956,535 0.683,536 0.99,537 0.835,538 1.064,539 0.976,540 1.062,541 0.532,542 1.041,543 1.264,544 0.95,545 1.105,546 0.974,547 1.11,548 1.014,549 4.5,550 0.116,551 2.444,552 1.813,553 1.622,554 0.528,555 0.463,556 0.177,557 0.193,558 0.118,559 11813,560 28097,561 2.137,562 45.1,564 21,570 2,572 1.702,573 2.049,574 3.677,575 -0.848,582 70.458,583 1.382,584 3.107,585 4.155,586 4.959,587 5.265,588 5.265,589 3.098,590 4.45,591 4.78,592 3.857,593 1457.91,594 8.263,595 20526.3,597 1,600 289.294,601 1.198,602 4.76,603 0.145,604 0.006,605 0.058,606 0.042,607 0.044,608 0.017,609 0.018,610 0.008,611 0.009,612 0.006,613 0.352,614 0.33,615 1,616 0.444,617 144.474,618 0.008,619 -0.123,620 0.067,621 -0.057,622 -0.026,624 -0.094,625 0.085,626 -0.007,627 0.011,628 -0.005,629 0.021,630 -0.073,631 -0.121,632 -0.029,633 -0.107,634 0.024,635 -0.069,636 0.175,637 0.102,638 0.073,639 0.079,640 0.153,641 0.066,642 -0.065,643 -0.091,644 -0.071,645 -0.091,646 -0.092,647 -0.083,648 0.044,649 0.005,650 -0.004,651 0.022,652 0.039,653 0.005,654 0.002,655 -0.098,656 0.016,657 -0.085,658 0.026,659 -0.04,660 -0.062,661 0.012,662 -0.082,663 -0.005,664 -0.118,665 -0.042,666 1.675,667 5.578,668 0.714,669 29.959,670 0.996,671 1.112,672 3.413,673 11.648,674 0.681,675 3.466,676 3.761,677 4.025,678 4.29,679 4.533,680 4.575,681 4.691,682 4.804,683 4.883,684 4.812,685 7.781,686 0.646,687 373.48,688 3.466,689 4.99,690 5.832,691 6.698,692 7.557,693 8.434,694 9.303,695 10.185,696 11.061,697 11.949,698 2,701 1,715 12,720 6,722 18,727 1,739 2,741 51,743 19,744 3,745 31,747 54,748 24,749 18,750 6,751 12,752 1,756 4,757 7,770 1,772 19,773 5,777 1,782 1,786 1,793 23,794 4,796 4,802 1,808 0.5,809 3,829 4,833 2,855 1,859 2,864 1,868 28,876 4,878 2,881 1,893 5.9,896 1,898 2,901 13.667,902 9.45,903 6.194,904 3.081,907 3.284,908 1.426,909 0.994,910 5.633,911 10.99,912 3.738,913 4.297,914 4.858,915 5.411,916 5.945,917 6.11,918 6.467,919 6.826,920 7.151,921 7.333,922 0.889,923 43,924 10.372,926 4.381,927 0.026,929 7.631,931 20.035,933 16.374,936 2.131,937 59.667,939 1,940 1,941 270.735,942 163.87,943 3.124,945 47.145,948 163.87,949 317.88,950 3.124,951 8.396,952 11.338,953 113.715,954 30.278,955 50.411,957 270.735,959 270.735,960 166.994,961 47.145,964 247.193,965 70.687,968 14.463,969 152.532,972 270.735,973 50.269,974 163.87,977 270.735,978 41.759,979 125.236,981 47.145,982 270.735,983 50.269,984 163.87,986 0.571,987 0.331,988 0.184,989 0.1,990 20,991 8,992 0.13,993 7,994 2,995 1.2,996 4.181,997 233.099,998 0.2,999 20,1000 130.606,1005 18.578,1006 8.49,1007 4.394,1009 50.269,1010 23.166,1015 4.361,1018 484.875,1019 41,1024 12.578,1028 -0.008,1031 50.803,1032 56.694,1034 0.244,1035 0.548,1036 0.733,1037 0.874,1038 0.928,1039 0.928,1040 4.952,1041 1.435,1042 5.79,1043 3.384,1044 4.443,1045 4.984,1046 1.698,1047 6.569,1048 4.382,1049 6.131,1050 1.31,1051 7.322,1052 3.145,1053 3.892,1054 4.605,1055 0.325,1056 7.398,1057 3.806,1058 7.413,1059 1.254,1060 8.958,1061 3.066,1062 5.994,1063 7.111,1064 1.422,1065 10.531,1066 5.885,1067 8.732,1068 1,1069 10.658,1070 2.819,1071 6.293,1072 7.574,1073 0.393,1074 12.239,1075 6.177,1076 10.086,1077 0.853,1078 12.402,1079 2.136,1080 7.832,1081 9.529,1082 1.2,1083 14.889,1084 7.695,1085 11.465,1086 0.419,1087 14.177,1088 2.038,1089 8.558,1090 10.416,1091 0.384,1092 16.977,1093 8.423,1094 12.866,1096 15.976,1097 0.966,1098 9.857,1099 12.111,1100 1.01,1101 19.467,1102 9.706,1103 3.215,1104 -0.153,1105 17.793,1107 10.801,1108 13.23,1109 0.351,1110 21.726,1111 10.653,1112 2.645,1113 11.061,1114 19.625,1115 -0.379,1116 12.001,1117 14.791,1118 0.845,1119 24.158,1120 11.842,1121 2.623,1122 8.529,1123 21.468,1124 4.198,1125 13.055,1126 16.041,1127 0.312,1128 26.494,1129 12.895,1130 2.274,1131 7.392,1132 23.322,1133 3.676,1134 14.22,1135 17.533,1136 0.702,1137 28.907,1138 14.051,1139 2.152,1140 6.913,1141 25.185,1142 3.455,1143 15.327,1144 18.857,1145 0.273,1146 31.278,1147 15.154,1148 2.006,1149 6.041,1150 27.055,1151 2.964,1152 16.482,1153 20.313,1154 0.579,1155 33.684,1156 16.302,1157 1.491,1158 5.513,1159 28.931,1160 2.504,1161 17.617,1162 21.681,1163 0.236,1164 36.071,1165 17.43,1166 11014,1167 17181,1168 21.266,1169 34.745,1170 45.95,1171 47.109,1172 46.499,1173 45.404,1174 45.354,1175 59.323,1176 5.618,1177 126.006,1178 43.964,1179 5.484,1180 5.692,1181 6.576,1182 5.301,1183 5.215,1184 7.198,1185 1.776,1186 18.6,1187 5.18,1188 9.725,1189 1.482,1190 1.52,1191 1.5,1192 1.465,1193 1.463,1194 1.914,1195 0.181,1196 4.065,1197 1.418,1198 4.047,1199 4.055,1200 4.013,1201 3.964,1202 7.427,1203 3.974,1204 3.923,1205 3.96,1206 3.845,1207 3.854,1208 4.946,1209 3.847,1210 3.78,1211 3.806,1212 3.715,1213 3.711,1214 4.755,1215 3.708,1216 3.653,1217 3.719,1218 3.517,1219 3.485,1220 4.708,1221 3.483,1222 3.36,1223 3.427,1224 3.24,1225 3.151,1226 4.382,1227 3.16,1228 3.185,1229 3.203,1230 3.083,1231 3.037,1232 4.219,1233 3.043,1234 2.986,1235 3.054,1236 2.902,1237 2.812,1238 4.067,1239 2.824,1240 2.965,1241 3.011,1242 2.768,1243 2.803,1244 3.674,1245 2.782,1246 0.147,1247 0.119,1248 0.219,1249 0.136,1250 0.104,1251 4.553,1252 0.135,1253 3.692,1254 0.03,1255 6.774,1256 0.357,1257 4.203,1258 0.103,1259 3.215,1260 4.198,1261 0.916,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.059,1267 2.084,1268 1.254,1269 2.073,1270 1.916,1271 1.884,1272 2.049,1273 2.018,1274 1.164,1275 2.031,1276 1.775,1277 1.751,1278 1.915,1279 1.887,1280 1.112,1281 1.898,1282 1.639,1283 1.571,1284 1.858,1285 1.814,1286 0.974,1287 1.832,1288 1.328,1289 1.256,1290 1.635,1291 1.576,1292 0.784,1293 1.598,1294 1.126,1295 1.108,1296 1.362,1297 1.313,1298 0.503,1299 1.294,1300 1.001,1301 0.916,1302 1.265,1303 1.222,1304 0.415,1305 1.274,1306 0.932,1307 0.898,1308 1.181,1309 1.142,1310 0.294,1311 1.141,1312 4.143,1314 5.442,1316 6.948,1318 8.555,1320 10.219,1322 2.114,1328 3.405,1330 11.768,1333 2.282,1340 32.961,1341 70.458,1342 158.446,1343 211.91,1344 252.929,1345 268.539,1346 268.539,1347 44.14,1348 7.705,1349 42.68,1350 42.68,1351 24,1352 12.482,1353 4.322,1354 3.459,1355 42.919,1356 132,1357 126,1358 0.155,1359 200.922,1360 352.59,1361 482.01,1362 26791,1364 19.347,1365 0.691,1366 0.569,1367 19.347,1368 15.929,1369 13.704,1370 0.442,1371 0.307,1372 9.403,1373 13.275,1374 9.161,1375 7.613,1376 13.704,1377 9.514,1378 12.036,1379 0.287,1380 0.167,1381 12.036,1382 7.011,1383 10.094,1384 0.184,1385 0.087,1386 10.094,1387 4.798,1388 8.573,1389 0.119,1390 0.047,1391 8.573,1392 3.37,1393 6.961,1394 0.076,1395 0.024,1396 6.961,1397 2.253,1398 0.254,1399 85.22,1400 0.217,1401 27.526,1402 0.397,1403 146,1404 408.852,1405 157.603,1406 392.492,1407 541.38,1408 370,1409 170,1410 399.124,1411 182.63,1412 404.824,1413 592.61,1414 381,1415 5.572}
{0 CHEMBL225611,1 1.367,2 14.172,3 5.313,4 28.224,5 115.42,6 7.176,7 0.563,8 4.072,9 4.176,10 3.618,11 3.655,12 5.133,13 3.623,14 4.608,15 4.769,16 3.941,17 4.025,18 5.615,19 3.976,20 4.864,21 5.057,22 4.011,23 4.144,24 5.854,25 4.069,26 4.927,27 5.16,28 3.904,29 4.08,30 5.932,31 3.979,32 4.81,33 5.042,34 3.721,35 4.016,36 5.723,37 3.891,38 4.775,39 5.024,40 3.592,41 3.952,42 5.625,43 3.795,44 4.72,45 4.986,46 3.44,47 3.812,48 5.49,49 3.655,50 4.519,51 4.763,52 3.378,53 3.669,54 5.366,55 3.541,56 0.021,57 0.689,58 11.22,59 5.319,60 6.987,61 6.791,62 0.15,63 1.161,64 21.064,65 8.607,66 17.824,67 11.162,68 0.221,69 1.427,70 28.625,71 11.48,72 31.854,73 14.917,74 0.527,75 1.494,76 32.339,77 11.958,78 58.697,79 16.013,80 0.329,81 1.35,82 28.167,83 10.933,84 40.764,85 14.71,86 0.284,87 1.293,88 27.217,89 11.092,90 39.446,91 15.289,92 0.262,93 1.198,94 26.691,95 10.24,96 32.435,97 13.979,98 0.209,99 0.997,100 21.336,101 8.127,102 28.418,103 10.97,104 5,105 43,106 0.225,107 0.512,108 0.694,109 0.832,110 0.879,111 0.879,112 3.407,113 0.939,114 -4.85,115 -4.76,116 -4.47,121 46.3,123 2,126 1,127 3,144 12,145 3,146 3,159 1,176 13,180 11,187 14,192 10,200 8,205 2,206 9,214 9,218 1,219 2,227 12,231 1,232 3,239 10,244 6,251 5,256 5,264 3,268 1,269 4,277 6,281 1418,282 19.982,283 19.982,284 19.982,285 19.982,286 19.982,287 17.727,288 21.798,289 12.19,290 20.31,291 15.849,292 15.849,293 15.849,294 15.849,295 15.849,296 12.458,297 28.386,298 5.865,299 16.374,300 4.388,301 2.646,302 1.544,303 0.71,304 0.421,305 0.421,306 4.11,311 1,312 1,313 904,314 3.536,318 320.611,322 237.44,325 2.109,326 22.674,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 61.5,338 411,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 0.916,346 11.061,347 3.18,348 4.048,349 2.995,350 6.011,351 3.613,352 2.643,353 3.676,354 0.86,355 8.529,356 2.564,357 3.927,358 2.943,359 5.484,360 3.597,361 2.625,362 3.455,363 0.86,364 7.392,365 2.559,366 3.617,367 2.82,368 5.407,369 3.233,370 2.272,371 2.964,372 0.172,373 6.913,374 2.172,375 3.313,376 2.496,377 5.124,378 3.11,379 2.16,380 2.504,382 6.041,383 2.043,384 3.288,385 2.365,386 4.819,387 2.948,388 2.011,389 2.363,391 5.517,392 1.861,393 2.905,394 1.763,395 4.125,396 2.566,397 1.589,398 2.081,400 3.385,401 1.549,402 2.85,403 1.625,404 3.734,405 2.43,406 1.439,407 1.965,409 3.313,410 1.422,411 2.715,412 1.508,413 3.689,414 2.372,415 1.386,416 1.811,418 3.073,419 1.362,420 2.59,421 1.371,422 3.557,423 2.243,424 1.257,425 1.594,427 2.97,428 1.236,429 2.5,430 1.298,431 3.485,432 2,433 1,434 1.5,436 2.136,437 1,438 2.416,439 1.068,440 3.247,441 1.904,442 0.9,443 1.283,445 2.1,446 0.894,447 1.851,448 1,449 3.104,450 1.684,451 0.725,452 0.804,454 1.624,455 0.689,456 1.411,457 0.524,458 2.911,459 0.994,460 0.033,461 0.037,463 0.08,464 0.031,465 1.196,466 0.291,467 2.692,468 0.954,474 13.9,475 0.479,476 0.554,477 0.019,478 38.5,479 1.328,480 20.5,481 0.707,482 18,483 0.621,484 22.274,485 0.768,486 30.5,487 0.565,488 27.496,489 0.948,490 7.717,491 0.266,492 6.487,493 0.224,494 0.06,496 0.281,501 0.754,502 1.196,503 0.798,504 1.079,505 0.599,506 0.965,507 1.116,508 1.01,509 0.951,510 0.98,511 0.693,512 0.936,513 1.223,514 1.102,515 0.988,516 1.071,517 0.893,518 1.01,519 1.12,520 0.923,521 0.949,522 0.899,523 1.098,524 0.898,525 1.077,526 0.938,527 1.065,528 0.968,529 1.253,530 1.006,531 0.641,532 1.053,533 0.988,534 1.093,535 0.564,536 1.088,537 1.048,538 0.948,539 0.985,540 0.949,541 0.631,542 0.962,543 1.143,544 0.996,545 1.03,546 0.981,547 1.009,548 0.989,549 4.5,550 0.095,551 2.444,552 1.813,553 1.622,554 0.583,555 0.381,556 0.24,557 0.131,558 0.152,559 13394,560 31200,561 2.132,562 46.3,564 21,569 4,572 1.71,573 2.047,574 3.753,575 -0.853,582 73.816,583 1.367,584 3.109,585 4.211,586 5.044,587 5.334,588 5.334,589 3.207,590 4.444,591 4.831,592 3.946,593 1601.98,594 8.358,595 23620.5,600 310.764,601 1.178,602 4.812,603 0.141,604 0.005,605 0.057,606 0.041,607 0.043,608 0.018,609 0.014,610 0.01,611 0.006,612 0.007,613 0.342,614 0.33,615 1,616 0.434,617 152.365,618 0.013,619 -0.118,620 0.067,621 -0.054,622 -0.015,623 0.001,624 -0.083,625 0.066,626 -0.01,627 -0.002,628 0.007,629 0.009,630 -0.056,631 -0.106,632 -0.007,633 -0.09,634 0.041,635 -0.049,636 0.135,637 0.057,638 0.078,639 0.06,640 0.157,641 0.063,642 -0.054,643 0.05,644 -0.074,645 0.004,646 -0.099,647 -0.031,648 0.13,649 -0.103,650 -0.015,651 -0.103,652 0.086,653 -0.081,654 -0.051,655 -0.014,656 0.031,657 0.026,658 -0.022,659 0.035,660 -0.08,661 -0.025,662 -0.022,663 -0.014,664 -0.069,665 -0.011,666 1.671,667 5.588,668 0.69,669 32.721,670 0.994,671 1.113,672 3.621,673 13.109,674 0.676,675 3.497,676 3.784,677 4.043,678 4.304,679 4.543,680 4.585,681 4.691,682 4.812,683 4.875,684 4.796,685 8.27,686 0.639,687 387.51,688 3.497,689 5.017,690 5.855,691 6.718,692 7.574,693 8.447,694 9.314,695 10.195,696 11.069,697 11.955,698 1.9,701 1,715 12,720 6,722 18,727 1,739 2,741 54,743 19,744 3,745 32,747 57,748 25,749 18,750 6,751 12,752 1,756 4,757 7,770 2,772 19,773 6,777 1,782 1,786 1,793 25,794 4,796 4,802 1,808 0.5,809 3,829 4,833 2,855 1,859 2,864 1,868 29,876 5,878 2,881 1,893 5.6,896 1,898 2,901 14.167,902 9.95,903 6.444,904 3.331,907 3.258,908 1.42,909 0.989,910 6.16,911 11.009,912 3.761,913 4.311,914 4.866,915 5.416,916 5.947,917 6.112,918 6.466,919 6.825,920 7.145,921 7.32,922 1,923 44,924 10.75,926 4.524,927 0.026,929 7.609,931 20.851,933 17.04,936 2.109,937 61.167,941 294.278,942 166.405,943 3.124,945 47.145,948 166.405,949 341.422,950 3.124,951 8.396,952 13.873,953 113.715,954 30.278,955 50.411,957 294.278,959 294.278,960 169.529,961 47.145,964 247.193,965 94.229,968 16.997,969 152.532,972 294.278,973 50.269,974 166.405,977 294.278,978 44.293,979 125.236,981 47.145,982 294.278,983 50.269,984 166.405,986 0.569,987 0.328,988 0.182,989 0.1,990 20,991 8,992 0.14,993 8,994 2,995 1.2,996 4.304,997 241.22,998 0.2,999 20,1000 136.881,1005 19.533,1006 9.146,1007 4.801,1009 50.269,1010 23.262,1015 4.411,1018 510.951,1019 42,1024 12.588,1028 -0.005,1031 53.687,1032 60.109,1034 0.238,1035 0.54,1036 0.732,1037 0.877,1038 0.927,1039 0.927,1040 4.973,1041 1.439,1042 5.808,1043 3.385,1044 4.466,1045 4.997,1046 1.698,1047 6.581,1048 4.407,1049 6.146,1050 1.386,1051 7.335,1052 3.313,1053 3.892,1054 4.605,1055 0.325,1056 7.398,1057 3.806,1058 7.425,1059 1.257,1060 8.967,1061 3.073,1062 6.009,1063 7.116,1064 1.422,1065 10.534,1066 5.901,1067 8.74,1068 1,1069 10.664,1070 2.97,1071 6.293,1072 7.574,1073 0.393,1074 12.239,1075 6.177,1076 10.092,1077 0.9,1078 12.406,1079 2.136,1080 7.84,1081 9.53,1082 1.2,1083 14.89,1084 7.704,1085 11.469,1086 0.725,1087 14.18,1088 2.1,1089 8.558,1090 10.416,1091 0.384,1092 16.977,1093 8.423,1094 12.869,1095 0.033,1096 15.977,1097 1.624,1098 9.861,1099 12.112,1100 1.01,1101 19.467,1102 9.711,1103 3.215,1105 17.794,1106 0.08,1107 10.801,1108 13.23,1109 0.351,1110 21.726,1111 10.653,1112 2.643,1113 11.061,1114 19.625,1116 12.003,1117 14.791,1118 0.845,1119 24.158,1120 11.844,1121 2.625,1122 8.529,1123 21.469,1124 4.198,1125 13.055,1126 16.041,1127 0.312,1128 26.494,1129 12.895,1130 2.272,1131 7.392,1132 23.323,1133 3.676,1134 14.22,1135 17.533,1136 0.702,1137 28.907,1138 14.051,1139 2.16,1140 6.913,1141 25.185,1142 3.455,1143 15.327,1144 18.857,1145 0.273,1146 31.278,1147 15.154,1148 2.011,1149 6.041,1150 27.055,1151 2.964,1152 16.482,1153 20.313,1154 0.579,1155 33.684,1156 16.302,1157 1.589,1158 5.517,1159 28.931,1160 2.504,1161 17.616,1162 21.681,1163 0.236,1164 36.071,1165 17.43,1166 12490,1167 19281,1168 21.959,1169 36.506,1170 47.221,1171 48.279,1172 47.704,1173 46.581,1174 46.509,1175 60.467,1176 5.618,1177 128.265,1178 45.126,1179 5.495,1180 5.692,1181 6.576,1182 5.301,1183 5.215,1184 7.198,1185 1.776,1186 18.6,1187 5.18,1188 10.046,1189 1.476,1190 1.509,1191 1.491,1192 1.456,1193 1.453,1194 1.89,1195 0.176,1196 4.008,1197 1.41,1198 4.047,1199 4.055,1200 4.013,1201 3.964,1202 7.427,1203 3.974,1204 3.924,1205 3.962,1206 3.846,1207 3.855,1208 4.946,1209 3.848,1210 3.783,1211 3.812,1212 3.716,1213 3.712,1214 4.755,1215 3.709,1216 3.688,1217 3.748,1218 3.548,1219 3.543,1220 4.708,1221 3.534,1222 3.436,1223 3.51,1224 3.295,1225 3.226,1226 4.379,1227 3.23,1228 3.216,1229 3.232,1230 3.137,1231 3.06,1232 4.24,1233 3.075,1234 3.012,1235 3.077,1236 2.909,1237 2.85,1238 4.083,1239 2.836,1240 2.983,1241 3.046,1242 2.829,1243 2.812,1244 3.774,1245 2.822,1246 0.142,1247 0.115,1248 0.212,1249 0.131,1250 0.1,1251 4.553,1252 0.131,1253 3.692,1254 0.029,1255 6.774,1256 0.346,1257 4.203,1258 0.099,1259 3.215,1260 4.198,1261 0.916,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.06,1267 2.084,1268 1.304,1269 2.074,1270 1.916,1271 1.884,1272 2.051,1273 2.02,1274 1.166,1275 2.033,1276 1.777,1277 1.753,1278 1.948,1279 1.901,1280 1.145,1281 1.918,1282 1.687,1283 1.624,1284 1.874,1285 1.833,1286 0.978,1287 1.849,1288 1.408,1289 1.331,1290 1.695,1291 1.649,1292 0.863,1293 1.67,1294 1.148,1295 1.13,1296 1.412,1297 1.359,1298 0.618,1299 1.363,1300 1.02,1301 0.951,1302 1.355,1303 1.236,1304 0.499,1305 1.275,1306 0.977,1307 0.898,1308 1.236,1309 1.22,1310 0.305,1311 1.244,1312 4.174,1314 5.468,1316 6.967,1318 8.568,1320 10.228,1322 2.142,1328 4.661,1330 11.782,1333 2.325,1340 34.487,1341 73.816,1342 167.864,1343 227.38,1344 272.399,1345 288.009,1346 288.009,1347 47.041,1348 7.75,1349 42.68,1350 42.68,1351 24,1352 12.49,1353 4.322,1354 3.459,1355 45.293,1356 146,1357 137,1358 0.147,1359 210.514,1360 369.89,1361 505.415,1362 29112,1364 20.054,1365 0.692,1366 0.574,1367 20.054,1368 16.636,1369 14.204,1370 0.444,1371 0.313,1372 9.903,1373 13.775,1374 9.651,1375 8.03,1376 14.204,1377 10.014,1378 12.389,1379 0.288,1380 0.171,1381 12.389,1382 7.364,1383 10.344,1384 0.185,1385 0.09,1386 10.344,1387 5.048,1388 8.75,1389 0.12,1390 0.048,1391 8.75,1392 3.519,1393 7.082,1394 0.076,1395 0.026,1396 7.082,1397 2.398,1398 0.243,1399 88.22,1400 0.213,1401 28.523,1402 0.372,1403 150,1404 412.852,1405 161.603,1406 396.654,1407 547.14,1408 374,1409 174,1410 403.124,1411 186.63,1412 408.986,1413 598.37,1414 385,1415 5.204}
{0 CHEMBL225688,1 1.192,2 11.9,3 3.849,4 14.816,5 85.14,6 5.88,7 0.571,8 3.86,9 4.01,10 3.226,11 3.389,12 4.743,13 3.31,14 4.422,15 4.645,16 3.419,17 3.751,18 5.185,19 3.619,20 4.721,21 5.017,22 3.335,23 3.859,24 5.339,25 3.659,26 4.685,27 4.998,28 3.117,29 3.767,30 5.236,31 3.532,32 4.6,33 4.918,34 3.039,35 3.677,36 5.14,37 3.441,38 4.513,39 4.829,40 2.971,41 3.595,42 5.066,43 3.363,44 4.417,45 4.731,46 2.899,47 3.506,48 4.985,49 3.279,50 4.311,51 4.622,52 2.82,53 3.408,54 4.898,55 3.187,56 0.061,57 0.641,58 11.363,59 4.442,60 8.58,61 6.644,62 0.134,63 1.021,64 19.38,65 7.042,66 13.733,67 10.796,68 0.16,69 1.212,70 24.688,71 9.434,72 16.757,73 14.2,74 0.14,75 1.119,76 23.324,77 9.277,78 14.41,79 13.765,80 0.123,81 1.016,82 21.272,83 8.582,84 12.92,85 12.675,86 0.114,87 0.935,88 19.526,89 7.821,90 12.201,91 11.58,92 0.106,93 0.854,94 17.78,95 7.06,96 11.483,97 10.485,98 0.098,99 0.772,100 16.034,101 6.3,102 10.764,103 9.391,105 24,106 0.208,107 0.432,108 0.56,109 0.638,110 0.668,111 0.668,112 3.054,113 1.147,114 -4.34,115 -4.27,116 -4.03,121 39.1,123 6,127 2,144 6,147 4,176 9,187 6,189 6,200 3,203 4,214 6,216 2,227 7,229 2,239 6,241 2,251 6,253 2,264 6,277 6,280 1,281 532,282 14.071,283 14.071,284 14.071,285 14.071,286 14.071,287 12.569,288 9.487,289 9.305,290 14.303,291 10.449,292 10.449,293 10.449,294 10.449,295 10.449,296 8.362,297 5,298 4.54,299 10.822,300 4.332,301 3.049,302 2.316,303 1.87,304 1.696,305 1.696,306 3.728,310 1,311 1,312 1,313 500,314 3,318 157.309,325 1.92,326 3.349,327 1,328 1,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 41,338 238,339 3.897,340 2.629,341 5.34,342 3.453,343 2.523,344 3.444,346 6.965,347 2.346,348 3.896,349 2.627,350 5.34,351 3.449,352 2.521,353 3.444,355 6.965,356 2.341,357 2.983,358 1.864,359 3.89,360 2.861,361 1.863,362 2.127,364 3.754,365 1.859,366 2.949,367 1.647,368 3.705,369 2.611,370 1.618,371 2.114,373 3.32,374 1.606,375 2.795,376 1.531,377 3.596,378 2.471,379 1.487,380 1.821,382 3.1,383 1.461,384 2.5,385 1.297,386 3.387,387 2.268,388 1.284,389 1.5,391 2.682,392 1.26,393 2.5,394 1,395 3.247,396 1.984,397 1,398 1.5,400 2.136,401 0.983,402 2.43,403 1,404 3.247,405 1.984,406 1,407 1.426,409 2.136,410 0.983,411 1.926,412 0.831,413 3,414 1.814,415 0.828,416 0.891,418 1.739,419 0.815,420 1.381,421 0.314,422 2.573,423 1.252,424 0.272,425 0.293,427 0.585,428 0.266,429 0.941,430 -0.151,431 2.104,432 0.727,433 -0.246,434 -0.274,436 -0.541,437 -0.239,438 0.675,439 -0.543,440 1.581,441 0.364,442 -0.618,443 -0.729,445 -1.313,446 -0.606,447 0.5,448 -0.891,449 1.555,450 0.094,451 -0.898,452 -1.088,454 -1.845,455 -0.891,456 0.5,457 -1,458 1.555,459 -0.049,460 -1,461 -1.442,463 -2.347,464 -0.946,465 0.376,466 -1,467 1.158,468 -0.049,469 -1,470 -1.5,472 -2.347,473 -0.946,474 9.8,475 0.49,476 0.137,477 0.007,478 22,479 1.1,480 10,481 0.5,482 12,483 0.6,484 16.148,485 0.807,486 22.6,487 0.491,488 11.449,489 0.572,490 4.053,491 0.203,492 5.896,493 0.295,496 0.082,501 1.068,502 1.521,503 1.065,504 1.269,505 0.823,506 1.185,507 1.69,508 1.285,509 1.259,510 1.195,511 1.032,512 1.2,513 1.171,514 0.989,515 1.034,516 0.989,517 0.946,518 1.001,519 0.935,520 0.944,521 1.013,522 0.996,523 0.936,524 1.007,525 0.786,526 0.911,527 0.94,528 0.954,529 0.851,530 0.956,531 0.831,532 0.918,533 0.948,534 0.955,535 0.903,536 0.958,537 0.884,538 0.926,539 0.958,540 0.957,541 0.966,542 0.961,543 0.95,544 0.936,545 0.971,546 0.959,547 1.043,548 0.965,549 1.5,550 0.041,551 0.667,552 0.25,553 0.222,554 0.125,555 0.08,556 0.056,557 0.041,558 0.011,559 5025,560 8751,561 2.083,562 56.5,563 8,564 10,566 4,569 4,572 1.602,573 2.069,574 3.557,575 -0.886,577 1,582 54.814,583 1.192,584 2.475,585 3.208,586 3.654,587 3.828,588 3.828,589 2.922,590 2.922,591 4.299,592 3.721,593 707.013,594 7.262,595 8322.09,597 1,599 1,600 254.084,601 0.469,602 4.309,603 0.071,604 0.004,605 0.028,606 0.012,607 0.014,608 0.008,609 0.006,610 0.004,611 0.003,612 0.001,613 0.152,614 0.67,615 1,617 94.503,618 0.156,619 -0.256,620 0.059,621 -0.1,622 0.273,623 -0.039,624 -0.179,625 -0.125,626 -0.179,627 -0.155,628 -0.008,629 -0.164,630 -0.085,631 -0.003,632 -0.049,633 -0.022,634 -0.034,635 -0.031,636 -0.07,637 -0.011,638 -0.061,639 -0.037,640 -0.104,641 -0.046,642 -0.01,643 0.004,644 0.002,645 0.005,646 -0.037,647 0.004,648 -0.017,649 0.004,650 -0.003,651 0.003,652 -0.058,653 0.001,654 -0.027,655 0.003,656 -0.008,657 0.001,658 -0.082,659 -0.002,660 -0.038,661 0.003,662 -0.014,663 -0.002,664 -0.112,665 -0.006,666 0.347,667 0.27,668 0.6,669 18.6,670 0.974,671 1.13,672 3.108,673 9.659,674 0.634,675 3.091,676 3.219,677 3.332,678 3.434,679 3.526,680 3.219,681 3.178,682 3.135,683 3.091,684 3.045,685 7.163,686 0.573,687 270.46,688 3.091,689 4.511,690 5.263,691 6.028,692 6.79,693 7.561,694 8.326,695 9.098,696 9.865,697 10.638,698 4.3,708 2,715 10,721 2,722 12,741 46,743 12,745 21,747 47,748 18,749 10,756 2,757 2,770 6,772 10,773 8,790 1,793 26,796 2,802 2,803 2,808 1,822 2,829 2,859 2,868 20,876 8,901 9.667,902 7.833,903 4.75,904 3.222,907 1.849,908 1.308,909 0.949,910 7.146,911 7.856,912 3.332,913 3.738,914 4.151,915 4.567,916 4.983,917 4.432,918 4.42,919 4.408,920 4.396,921 4.384,922 0.875,923 21,924 7.412,926 2.877,927 0.026,929 7.3,931 15.017,933 11.821,936 1.8,937 36,938 0.003,941 306.049,942 112.466,943 3.798,948 112.466,949 306.049,950 3.798,952 19.419,953 56.857,954 50.883,955 36.19,957 258.964,959 306.049,960 116.264,964 258.964,965 47.084,968 55.608,969 56.857,970 3.798,972 306.049,973 3.798,974 112.466,977 306.049,978 19.419,979 96.845,982 306.049,983 3.798,984 112.466,986 0.53,987 0.285,988 0.15,989 0.078,990 8,991 2,992 0.191,993 9,995 1,996 3.643,997 121.766,999 12,1000 58.439,1005 15.021,1006 9.515,1007 6.576,1010 21.135,1016 4.54,1018 422.313,1019 27,1031 44.807,1032 51.979,1034 0.216,1035 0.448,1036 0.581,1037 0.662,1038 0.693,1039 0.693,1040 4.443,1041 1,1042 5.094,1043 2.136,1044 3.892,1045 4.419,1047 5.624,1048 3.818,1049 5.515,1050 0.828,1051 6.457,1052 2.136,1053 2.565,1054 3.332,1056 5.784,1057 2.277,1058 6.698,1059 0.272,1060 7.912,1061 1.739,1062 5.198,1063 6.359,1065 8.92,1066 5.017,1067 7.915,1068 -0.246,1069 9.431,1070 0.585,1071 4.796,1072 6.184,1074 10.098,1075 4.328,1076 9.169,1077 -0.618,1078 10.995,1079 -0.541,1080 6.735,1081 8.575,1083 12.545,1084 6.417,1085 10.448,1086 -0.898,1087 12.592,1088 -1.313,1089 6.86,1090 8.872,1092 14.147,1093 6.253,1094 11.748,1095 -1,1096 14.213,1097 -1.845,1098 8.394,1099 10.91,1101 16.313,1102 7.923,1103 2.523,1104 -1,1105 15.851,1106 -2.347,1107 8.832,1108 11.483,1110 18.101,1111 8.095,1112 2.521,1113 6.965,1114 17.501,1115 -2.347,1116 10.127,1117 13.298,1119 20.144,1120 9.492,1121 1.863,1122 6.965,1123 19.159,1124 3.444,1125 10.755,1126 14.05,1128 22.016,1129 9.887,1130 1.618,1131 3.754,1132 20.822,1133 3.444,1134 11.905,1135 15.713,1137 24.003,1138 11.104,1139 1.487,1140 3.32,1141 22.489,1142 2.127,1143 12.649,1144 16.588,1146 25.912,1147 11.648,1148 1.284,1149 3.1,1150 24.158,1151 2.114,1152 13.711,1153 18.144,1155 27.875,1156 12.746,1157 1,1158 2.682,1159 25.83,1160 1.821,1161 14.525,1162 19.109,1164 29.801,1165 13.39,1166 4896,1167 6512,1168 14.674,1169 29.148,1170 28.8,1171 28.718,1172 28.933,1173 28.865,1174 28.792,1175 37.121,1177 66.764,1178 27.838,1179 4.844,1180 4.629,1181 5.23,1182 4.488,1183 4.523,1184 6.444,1186 11.754,1187 4.283,1189 1.371,1190 1.368,1191 1.378,1192 1.375,1193 1.371,1194 1.768,1196 3.179,1197 1.326,1198 3.977,1199 4.035,1200 3.893,1201 3.837,1202 4.813,1203 3.843,1204 3.934,1205 3.99,1206 3.859,1207 3.795,1208 4.789,1209 3.803,1210 3.723,1211 3.786,1212 3.565,1213 3.611,1214 4.178,1215 3.592,1216 3.502,1217 3.571,1218 3.326,1219 3.376,1220 3.999,1221 3.355,1222 3.24,1223 3.321,1224 3.056,1225 3.075,1226 3.813,1227 3.059,1228 2.978,1229 3.072,1230 2.797,1231 2.771,1232 3.674,1233 2.765,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 3.674,1239 2.715,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.597,1245 2.715,1246 0.186,1247 0.125,1248 0.254,1249 0.164,1250 0.12,1251 3.897,1252 0.164,1253 2.629,1255 5.34,1256 0.332,1257 3.453,1258 0.112,1259 2.523,1260 3.444,1262 6.965,1263 2.346,1264 1.914,1265 1.862,1266 2.086,1267 2.081,1268 1.416,1269 2.083,1270 1.899,1271 1.85,1272 2.044,1273 2.067,1274 1.261,1275 2.064,1276 1.745,1277 1.687,1278 1.961,1279 1.895,1280 1.095,1281 1.925,1282 1.532,1283 1.467,1284 1.799,1285 1.697,1286 0.977,1287 1.736,1288 1.26,1289 1.18,1290 1.571,1291 1.464,1292 0.814,1293 1.505,1294 0.977,1295 0.884,1296 1.321,1297 1.227,1298 0.558,1299 1.264,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.296,1305 1.107,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 3.761,1314 4.934,1316 6.293,1318 7.733,1320 9.212,1328 10.325,1340 26.364,1341 54.814,1342 113.845,1343 147.555,1344 168.084,1345 176.084,1346 176.084,1347 25.096,1348 6.006,1349 7.76,1350 7.76,1351 12,1352 11.259,1353 3.7,1354 2.807,1355 37.066,1356 88,1357 62,1358 0.197,1359 167.597,1360 282.24,1361 400.698,1362 3285,1364 13.883,1365 0.694,1366 0.622,1367 13.883,1368 12.43,1369 9.949,1370 0.474,1371 0.382,1372 7.966,1373 9.736,1374 7.826,1375 6.606,1376 9.949,1377 8.028,1378 7.707,1379 0.321,1380 0.233,1381 7.707,1382 5.593,1383 5.924,1384 0.219,1385 0.143,1386 5.924,1387 3.867,1388 4.525,1389 0.151,1390 0.088,1391 4.525,1392 2.655,1393 3.437,1394 0.104,1395 0.055,1396 3.437,1397 1.811,1398 0.334,1399 60.922,1400 0.261,1401 21.33,1402 0.479,1403 90,1404 158.666,1405 94.163,1406 162.137,1407 226.68,1408 154,1409 96,1410 168.507,1411 100.996,1412 172.91,1413 242.4,1414 164,1415 4.509}
{0 CHEMBL225689,1 1.169,2 13.455,3 4.762,4 22.673,5 94.342,6 5.741,7 0.522,8 3.974,9 4.127,10 3.315,11 3.502,12 4.83,13 3.416,14 4.549,15 4.776,16 3.503,17 3.869,18 5.283,19 3.727,20 4.859,21 5.161,22 3.428,23 3.982,24 5.45,25 3.772,26 4.828,27 5.144,28 3.231,29 3.901,30 5.359,31 3.66,32 4.755,33 5.075,34 3.162,35 3.822,36 5.274,37 3.58,38 4.68,39 5,40 3.102,41 3.752,42 5.209,43 3.513,44 4.6,45 4.918,46 3.039,47 3.677,48 5.14,49 3.441,50 4.513,51 4.829,52 2.971,53 3.595,54 5.066,55 3.363,56 0.069,57 0.718,58 12.957,59 5.117,60 9.271,61 7.646,62 0.145,63 1.147,64 22.019,65 8.176,66 14.762,67 12.479,68 0.173,69 1.368,70 27.948,71 10.856,72 17.874,73 16.282,74 0.153,75 1.274,76 26.49,77 10.682,78 15.346,79 15.798,80 0.136,81 1.172,82 24.442,83 9.99,84 13.883,85 14.706,86 0.128,87 1.091,88 22.726,89 9.239,90 13.199,91 13.626,92 0.12,93 1.01,94 21.011,95 8.487,96 12.515,97 12.547,98 0.112,99 0.93,100 19.295,101 7.736,102 11.831,103 11.467,105 26,106 0.199,107 0.409,108 0.528,109 0.606,110 0.655,111 0.681,112 3.143,113 1.178,114 -4.8,115 -4.71,116 -4.42,121 38.5,123 8,127 2,144 6,147 4,176 11,187 8,189 6,200 5,203 4,214 8,216 2,227 9,229 2,239 8,241 2,251 7,253 2,264 6,266 2,277 6,279 2,281 728,282 15.485,283 15.485,284 15.485,285 15.485,286 15.485,287 13.983,288 9.487,289 10.305,290 15.717,291 11.449,292 11.449,293 11.449,294 11.449,295 11.449,296 9.362,297 5,298 5.04,299 11.822,300 4.532,301 3.292,302 2.597,303 2.135,304 1.846,305 1.692,306 3.82,311 1,312 1,313 620,314 3.317,318 179.724,325 2.231,326 3.52,328 1,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 45,338 296,339 3.896,340 2.629,341 5.34,342 3.451,343 2.522,344 3.444,346 6.965,347 2.344,348 3.896,349 2.628,350 5.34,351 3.451,352 2.522,353 3.444,355 6.965,356 2.343,357 2.985,358 1.908,359 3.923,360 2.906,361 1.907,362 2.124,364 3.832,365 1.904,366 2.957,367 1.708,368 3.754,369 2.692,370 1.695,371 2.118,373 3.444,374 1.689,375 2.853,376 1.577,377 3.637,378 2.526,379 1.537,380 1.883,382 3.183,383 1.517,384 2.601,385 1.445,386 3.51,387 2.398,388 1.414,389 1.607,391 2.946,392 1.388,393 2.5,394 1.135,395 3.247,396 2.121,397 1.133,398 1.5,400 2.35,401 1.117,402 2.5,403 1,404 3.247,405 1.984,406 1,407 1.5,409 2.136,410 0.983,411 2.229,412 1,413 3.235,414 1.984,415 1,416 1.216,418 2.136,419 0.983,420 1.785,421 0.711,422 2.878,423 1.691,424 0.704,425 0.747,427 1.472,428 0.694,429 1.327,430 0.271,431 2.501,432 1.214,433 0.231,434 0.246,436 0.492,437 0.226,438 0.947,439 -0.133,440 2.09,441 0.762,442 -0.215,443 -0.235,445 -0.465,446 -0.209,447 0.698,448 -0.485,449 1.642,450 0.419,451 -0.562,452 -0.645,454 -1.198,455 -0.55,456 0.5,457 -0.803,458 1.555,459 0.17,460 -0.822,461 -0.976,463 -1.69,464 -0.815,465 0.5,466 -1,467 1.555,468 -0.049,469 -1,470 -1.283,472 -2.277,473 -0.946,474 10.8,475 0.491,476 0.137,477 0.006,478 23,479 1.045,480 10,481 0.455,482 13,483 0.591,484 19.462,485 0.885,486 25.2,487 0.485,488 11.767,489 0.535,490 4.053,491 0.184,492 6.896,493 0.313,496 0.074,501 1.08,502 1.519,503 1.103,504 1.291,505 0.834,506 1.214,507 1.66,508 1.306,509 1.278,510 1.227,511 1.025,512 1.231,513 1.14,514 0.987,515 1.022,516 0.987,517 0.919,518 0.996,519 0.918,520 0.947,521 1.004,522 0.993,523 0.907,524 1.001,525 0.774,526 0.918,527 0.939,528 0.956,529 0.823,530 0.957,531 0.808,532 0.922,533 0.945,534 0.957,535 0.863,536 0.958,537 0.849,538 0.928,539 0.952,540 0.958,541 0.91,542 0.96,543 0.897,544 0.935,545 0.961,546 0.96,547 0.965,548 0.963,549 1.5,550 0.025,551 0.667,552 0.25,553 0.222,554 0.125,555 0.08,556 0.056,557 0.041,558 0.031,559 6819,560 11457,561 2.075,562 57.7,563 12,564 10,566 4,569 4,572 1.629,573 2.063,574 3.722,575 -0.896,582 60.778,583 1.169,584 2.409,585 3.104,586 3.565,587 3.854,588 4.008,589 3.096,590 3.096,591 4.435,592 3.905,593 902.17,594 7.534,595 11775.2,597 1,600 296.423,601 0.439,602 4.447,603 0.065,604 0.002,605 0.026,606 0.011,607 0.012,608 0.007,609 0.005,610 0.004,611 0.003,612 0.002,613 0.138,614 0.67,615 0.88,617 108.674,618 0.158,619 -0.232,620 0.055,621 -0.089,622 0.286,623 -0.035,624 -0.165,625 -0.14,626 -0.182,627 -0.166,628 0.008,629 -0.173,630 -0.069,631 -0.002,632 -0.037,633 -0.017,634 -0.012,635 -0.024,636 -0.061,637 -0.01,638 -0.051,639 -0.031,640 -0.085,641 -0.039,642 -0.006,643 0.003,644 0.003,645 0.004,646 -0.025,647 0.004,648 -0.011,649 0.003,651 0.003,652 -0.039,653 0.002,654 -0.017,655 0.003,656 -0.003,657 0.002,658 -0.055,660 -0.024,661 0.003,662 -0.007,664 -0.074,665 -0.002,666 0.338,667 0.279,668 0.545,669 23.372,670 0.973,671 1.131,672 3.568,673 12.729,674 0.628,675 3.178,676 3.296,677 3.401,678 3.497,679 3.584,680 3.296,681 3.258,682 3.219,683 3.178,684 3.135,685 8.069,686 0.566,687 298.52,688 3.178,689 4.595,690 5.342,691 6.103,692 6.86,693 7.625,694 8.386,695 9.154,696 9.917,697 10.686,698 3.8,708 2,715 10,721 2,722 12,741 52,743 12,745 23,747 53,748 20,749 10,756 2,757 2,770 8,772 10,773 10,793 30,796 2,802 2,803 2,808 1,822 2,829 2,859 2,868 22,876 10,901 10.667,902 8.833,903 5.25,904 3.722,907 1.773,908 1.288,909 0.943,910 8.666,911 7.924,912 3.401,913 3.784,914 4.182,915 4.588,916 4.996,917 4.456,918 4.444,919 4.432,920 4.42,921 4.408,922 0.889,923 23,924 8.168,926 3.163,927 0.026,929 7.273,931 16.65,933 13.155,936 1.773,937 39,938 0.002,940 1,941 353.133,942 117.535,943 3.798,948 117.535,949 353.133,950 3.798,952 24.488,953 56.857,954 50.883,955 36.19,957 306.049,959 353.133,960 121.333,964 306.049,965 47.084,968 60.677,969 56.857,970 3.798,972 353.133,973 3.798,974 117.535,977 353.133,978 24.488,979 96.845,982 353.133,983 3.798,984 117.535,986 0.527,987 0.282,988 0.148,989 0.077,990 8,991 2,992 0.208,993 11,995 1,996 3.896,997 136.498,999 12,1000 68.107,1005 16.985,1006 11.225,1007 8.01,1010 21.202,1016 4.558,1018 474.466,1019 29,1031 50.574,1032 58.809,1034 0.205,1035 0.423,1036 0.545,1037 0.625,1038 0.676,1039 0.703,1040 4.511,1041 1,1042 5.165,1043 2.35,1044 3.97,1045 4.466,1047 5.68,1048 3.902,1049 5.57,1050 1,1051 6.518,1052 2.136,1053 2.565,1054 3.332,1056 5.784,1057 2.277,1058 6.744,1059 0.704,1060 7.962,1061 2.136,1062 5.263,1063 6.379,1065 8.945,1066 5.093,1067 7.952,1068 0.231,1069 9.471,1070 1.472,1071 4.796,1072 6.184,1074 10.098,1075 4.328,1076 9.198,1077 -0.215,1078 11.026,1079 0.492,1080 6.781,1081 8.582,1083 12.554,1084 6.48,1085 10.471,1086 -0.562,1087 12.615,1088 -0.465,1089 6.86,1090 8.872,1092 14.147,1093 6.253,1094 11.765,1095 -0.822,1096 14.231,1097 -1.198,1098 8.425,1099 10.913,1101 16.316,1102 7.972,1103 2.522,1104 -1,1105 15.864,1106 -1.69,1107 8.832,1108 11.483,1110 18.101,1111 8.095,1112 2.522,1113 6.965,1114 17.51,1115 -2.277,1116 10.147,1117 13.299,1119 20.145,1120 9.529,1121 1.907,1122 6.965,1123 19.165,1124 3.444,1125 10.755,1126 14.05,1128 22.016,1129 9.887,1130 1.695,1131 3.832,1132 20.827,1133 3.444,1134 11.918,1135 15.714,1137 24.004,1138 11.132,1139 1.537,1140 3.444,1141 22.492,1142 2.124,1143 12.649,1144 16.588,1146 25.912,1147 11.648,1148 1.414,1149 3.183,1150 24.161,1151 2.118,1152 13.719,1153 18.144,1155 27.875,1156 12.765,1157 1.133,1158 2.946,1159 25.832,1160 1.883,1161 14.525,1162 19.109,1164 29.801,1165 13.39,1166 6634,1167 8658,1168 16.06,1169 32.671,1170 31.321,1171 31.257,1172 31.483,1173 31.408,1174 31.332,1175 39.66,1177 71.842,1178 30.379,1179 4.856,1180 4.629,1181 5.265,1182 4.487,1183 4.522,1184 6.444,1186 11.754,1187 4.297,1189 1.362,1190 1.359,1191 1.369,1192 1.366,1193 1.362,1194 1.724,1196 3.124,1197 1.321,1198 3.977,1199 4.035,1200 3.893,1201 3.838,1202 4.813,1203 3.843,1204 3.937,1205 3.993,1206 3.86,1207 3.797,1208 4.789,1209 3.805,1210 3.761,1211 3.823,1212 3.603,1213 3.647,1214 4.204,1215 3.629,1216 3.589,1217 3.656,1218 3.417,1219 3.469,1220 4.056,1221 3.448,1222 3.376,1223 3.452,1224 3.191,1225 3.234,1226 3.894,1227 3.213,1228 3.145,1229 3.232,1230 2.956,1231 2.966,1232 3.719,1233 2.951,1234 2.923,1235 3.02,1236 2.731,1237 2.735,1238 3.674,1239 2.715,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.169,1247 0.114,1248 0.232,1249 0.15,1250 0.11,1251 3.896,1252 0.15,1253 2.629,1255 5.34,1256 0.303,1257 3.451,1258 0.102,1259 2.522,1260 3.444,1262 6.965,1263 2.344,1264 1.912,1265 1.86,1266 2.089,1267 2.078,1268 1.433,1269 2.081,1270 1.903,1271 1.853,1272 2.053,1273 2.071,1274 1.315,1275 2.069,1276 1.779,1277 1.721,1278 1.99,1279 1.93,1280 1.161,1281 1.96,1282 1.619,1283 1.556,1284 1.872,1285 1.777,1286 1.037,1287 1.815,1288 1.406,1289 1.333,1290 1.698,1291 1.588,1292 0.924,1293 1.63,1294 1.162,1295 1.077,1296 1.491,1297 1.382,1298 0.747,1299 1.424,1300 0.924,1301 0.829,1302 1.282,1303 1.181,1304 0.52,1305 1.22,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.3,1311 1.107,1312 3.85,1314 5.017,1316 6.365,1318 7.793,1320 9.261,1328 13.24,1340 29.418,1341 60.778,1342 125.255,1343 161.403,1344 185.403,1345 200.423,1346 208.423,1347 30.865,1348 6.151,1349 7.76,1350 7.76,1351 12,1352 11.31,1353 3.7,1354 2.807,1355 42.995,1356 109,1357 78,1358 0.182,1359 186.782,1360 316.84,1361 447.508,1362 4146,1364 15.297,1365 0.695,1366 0.629,1367 15.297,1368 13.845,1369 10.949,1370 0.476,1371 0.393,1372 8.966,1373 10.736,1374 8.807,1375 7.44,1376 10.949,1377 9.028,1378 8.414,1379 0.324,1380 0.242,1381 8.414,1382 6.3,1383 6.424,1384 0.222,1385 0.151,1386 6.424,1387 4.367,1388 4.878,1389 0.152,1390 0.094,1391 4.878,1392 3.008,1393 3.687,1394 0.105,1395 0.059,1396 3.687,1397 2.061,1398 0.312,1399 66.922,1400 0.25,1401 23.392,1402 0.435,1403 98,1404 166.666,1405 102.163,1406 170.46,1407 238.2,1408 162,1409 104,1410 176.507,1411 108.996,1412 181.233,1413 253.92,1414 172,1415 6.398}
{0 CHEMBL227075,1 1.326,2 6.857,3 2.858,4 8.17,5 81.397,6 7.952,7 0.458,8 3.676,9 3.755,10 3.314,11 3.337,12 4.807,13 3.316,14 4.231,15 4.356,16 3.746,17 3.774,18 5.323,19 3.747,20 4.471,21 4.603,22 3.915,23 3.932,24 5.741,25 3.899,26 4.57,27 4.718,28 3.885,29 3.908,30 5.817,31 3.871,32 4.511,33 4.672,34 3.654,35 3.74,36 5.829,37 3.682,38 4.287,39 4.484,40 3.257,41 3.424,42 5.513,43 3.345,44 3.949,45 4.147,46 2.844,47 3.099,48 5.086,49 2.995,50 3.694,51 3.92,52 2.255,53 2.803,54 4.617,55 2.634,56 0.011,57 0.398,58 5.923,59 3.369,60 5.565,61 3.945,62 0.086,63 0.711,64 12.225,65 6.029,66 16.674,67 7.176,68 0.182,69 0.906,70 15.953,71 7.668,72 46.443,73 9.204,74 0.276,75 1,76 19.029,77 8.398,78 41.679,79 9.788,80 0.347,81 0.941,82 18.934,83 7.863,84 64.038,85 8.926,86 0.27,87 0.763,88 16.501,89 6.413,90 56.895,91 7.394,92 0.183,93 0.544,94 11.556,95 4.594,96 37.618,97 5.374,98 0.192,99 0.426,100 9.499,101 3.623,102 29.448,103 4.301,104 17,105 37,106 0.239,107 0.618,108 0.786,109 0.856,110 0.867,111 0.867,112 3.107,113 0.885,114 -4.15,115 -4.09,116 -3.87,121 51.4,122 2,124 1,127 1,138 1,140 1,144 5,145 5,158 1,159 1,176 14,180 5,187 18,191 1,192 8,200 18,205 1,206 9,214 14,218 1,219 9,227 9,232 7,239 6,244 4,251 6,264 4,277 2,281 444,282 14.121,283 14.121,284 14.121,285 14.121,286 14.121,287 12.446,288 10.156,289 7.844,290 14.178,291 11.774,292 11.774,293 11.774,294 11.774,295 11.774,296 8.997,297 8.394,298 3.638,299 11.84,300 3.803,301 1.707,302 0.775,303 0.386,304 0.329,305 0.329,306 3.799,310 1,311 1,312 1,313 320,314 2.236,317 27.414,318 90.161,321 46.597,322 99.82,325 1.116,326 26.442,328 1,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 45,338 144,339 4.8,340 3.944,341 7.188,342 4.433,343 3.431,344 4.664,345 0.86,346 12.596,347 3.443,348 4.425,349 3.258,350 6.675,351 4.014,352 3.018,353 4.036,355 10.677,356 3.008,357 3.881,358 3.17,359 6.102,360 3.545,361 2.54,362 3.274,364 8.583,365 2.548,366 3.728,367 2.835,368 5.932,369 3.397,370 2.382,371 3.034,373 7.934,374 2.404,375 3.237,376 2.407,377 5.152,378 2.892,379 1.89,380 2.5,382 5.65,383 1.89,384 3.022,385 2.093,386 4.649,387 2.554,388 1.558,389 2.246,391 4.244,392 1.55,393 2.764,394 1.709,395 4.223,396 2.451,397 1.441,398 1.751,400 3.815,401 1.45,402 2.557,403 1.552,404 4.023,405 2.111,406 1.154,407 1.543,409 2.92,410 1.098,411 2.259,412 1.335,413 3.698,414 1.861,415 0.913,416 1.095,418 2.25,419 0.851,420 1.959,421 1.134,422 3.24,423 1.446,424 0.377,425 0.572,427 0.914,428 0.397,429 1.294,430 0.278,431 2.932,432 0.885,433 -0.13,434 -0.172,436 -0.328,437 -0.131,438 1.094,439 0.049,440 2.527,441 0.744,442 -0.259,443 -0.324,445 -0.658,446 -0.259,447 0.784,448 -0.3,449 2.369,450 0.353,451 -0.641,452 -0.783,454 -1.62,455 -0.625,456 0.55,457 -0.456,458 2.16,459 0.303,460 -0.7,461 -0.968,463 -1.785,464 -0.703,465 0.174,466 -0.671,467 2,468 -0.202,469 -1.238,470 -1.427,472 -3.265,473 -1.227,474 10,475 0.476,476 0.666,477 0.032,478 27.5,479 1.31,480 14.5,481 0.69,482 13,483 0.619,484 16.321,485 0.777,486 21.2,487 0.606,488 19.583,489 0.933,490 5.292,491 0.252,492 4.8,493 0.229,494 0.167,496 0.5,501 0.579,502 0.922,503 0.675,504 0.909,505 0.517,506 0.829,507 0.771,508 0.814,509 0.675,510 0.798,511 0.575,512 0.734,513 0.726,514 1.007,515 0.772,516 0.993,517 0.638,518 0.91,519 1.073,520 1.067,521 0.946,522 1.051,523 0.985,524 0.99,525 1.353,526 1.14,527 1.198,528 1.135,529 1.621,530 1.137,531 1.54,532 1,533 1.223,534 0.998,535 1.76,536 1.042,537 1.432,538 1.088,539 1.325,540 1.099,541 1.489,542 1.175,543 1.484,544 0.944,545 1.532,546 0.99,547 1.192,548 1.217,549 3.5,551 3.333,552 2.313,553 2.209,554 0.924,555 0.446,556 0.214,557 0.093,558 0.016,559 3747,560 9615,561 2.126,562 40,563 6,564 7,569 1,572 1.641,573 1.938,574 2.795,575 -0.844,577 1,579 1,582 46.408,583 1.326,584 3.422,585 4.354,586 4.743,587 4.8,588 4.8,589 2.298,590 4.202,591 4.369,592 2.869,593 602.473,594 7.528,595 5939.29,596 1,597 1,598 1,599 1,600 179.525,601 1.494,602 4.303,603 0.146,605 0.09,606 0.055,607 0.057,608 0.032,609 0.023,610 0.018,611 0.015,612 0.008,613 0.444,614 1,615 1,616 0.665,617 90.363,618 -0.004,619 0.023,620 0.052,621 0.028,622 -0.038,623 0.046,624 -0.024,625 0.146,626 0.16,627 0.158,628 -0.002,629 0.186,630 0.124,631 -0.049,632 0.097,633 -0.04,634 0.167,635 0.011,636 0.037,637 -0.102,638 -0.004,639 -0.098,640 0.015,641 -0.066,642 -0.054,643 -0.171,644 -0.202,645 -0.182,646 -0.112,647 -0.212,648 -0.214,649 -0.019,650 -0.159,651 -0.026,652 -0.201,653 -0.072,654 -0.215,655 -0.111,656 -0.281,657 -0.128,658 -0.191,659 -0.199,660 -0.324,661 0.041,662 -0.458,663 -0.003,664 -0.241,665 -0.207,666 2.073,667 5.591,668 0.81,669 11.673,670 1.005,671 1.101,672 2.919,673 8.519,674 0.706,675 3.219,676 3.638,677 4.043,678 4.407,679 4.691,680 4.86,681 5.056,682 5.22,683 5.308,684 5.226,685 4.207,686 0.681,687 278.32,688 3.219,689 4.812,690 5.733,691 6.673,692 7.61,693 8.555,694 9.497,695 10.443,696 11.388,697 12.335,714 2,715 5,720 3,722 11,727 1,741 35,743 14,744 2,745 24,747 38,748 18,749 10,750 5,751 5,752 4,756 4,757 10,763 2,768 1,772 14,773 4,774 1,777 3,782 2,786 4,789 1,790 1,793 14,794 3,796 3,808 0.25,809 3,828 1,829 3,832 1,833 2,841 1,849 1,850 1,858 1,859 1,864 2,868 21,876 1,878 1,880 1,893 8.6,896 2,897 1,901 10.833,902 7.25,903 4.444,904 2.271,907 2.923,908 1.388,909 1.031,910 2.454,911 10.456,912 3.512,913 4.197,914 4.922,915 5.573,916 6.188,917 6.625,918 7.115,919 7.562,920 7.968,921 8.081,922 0.8,923 42,924 7.856,926 3.599,927 0.026,929 7.849,931 14.894,933 13.065,936 2.349,937 49.333,941 164.795,942 103.023,945 61.29,948 103.023,949 226.085,951 17.65,952 4.592,953 47.381,954 76.8,955 17.888,957 164.795,959 164.795,960 103.023,961 61.29,964 153.024,965 62.061,966 11,968 22.243,969 75.536,970 5.243,972 164.795,973 61.29,974 103.023,977 164.795,978 37.991,979 65.032,981 61.29,982 164.795,983 61.29,984 103.023,986 0.607,987 0.389,988 0.224,989 0.121,990 22,991 10,994 3,995 1.353,996 3.137,997 185.911,998 0.353,999 17,1000 90.239,1005 12.491,1006 4.126,1007 1.525,1008 1.841,1009 61.29,1010 9.725,1015 2.349,1018 329.108,1019 32.5,1024 25.012,1028 0.332,1031 35.167,1032 38.535,1034 0.259,1035 0.667,1036 0.849,1037 0.925,1038 0.936,1039 0.936,1040 4.802,1041 1.154,1042 5.771,1043 3.815,1044 4.317,1045 4.883,1046 0.908,1047 6.715,1048 4.313,1049 6.062,1050 0.913,1051 7.418,1052 2.92,1053 4.111,1054 4.913,1056 7.861,1057 4.13,1058 7.425,1059 0.377,1060 9.165,1061 2.25,1062 6.038,1063 7.214,1064 0.739,1065 11.054,1066 6.037,1067 8.827,1068 -0.13,1069 10.969,1070 0.914,1071 6.648,1072 8.07,1074 13.007,1075 6.667,1076 10.264,1077 -0.259,1078 12.809,1079 -0.328,1080 8.086,1081 9.877,1082 0.593,1083 15.74,1084 8.092,1085 11.725,1086 -0.641,1087 14.673,1088 -0.658,1089 9.044,1090 11.098,1092 18.017,1093 9.063,1094 13.205,1095 -0.7,1096 16.554,1097 -1.62,1098 10.319,1099 12.725,1100 0.469,1101 20.602,1102 10.333,1103 3.431,1104 -1.238,1105 18.449,1106 -1.785,1107 11.424,1108 14.111,1110 23.015,1111 11.445,1112 3.018,1113 12.596,1114 20.353,1115 -3.265,1116 12.647,1117 15.671,1118 0.366,1119 25.552,1120 12.668,1121 2.54,1122 10.677,1123 22.267,1124 4.664,1125 13.814,1126 17.133,1128 28.025,1129 13.84,1130 2.382,1131 8.583,1132 24.187,1133 4.036,1134 15.026,1135 18.669,1136 0.283,1137 30.548,1138 15.054,1139 1.89,1140 7.934,1141 26.113,1142 3.274,1143 16.22,1144 20.166,1146 33.048,1147 16.253,1148 1.558,1149 5.65,1150 28.043,1151 3.034,1152 17.432,1153 21.695,1154 0.217,1155 35.57,1156 17.468,1157 1.441,1158 4.244,1159 29.978,1160 2.5,1161 18.64,1162 23.209,1164 38.083,1165 18.681,1166 3602,1167 5867,1168 15.838,1169 24.693,1170 38.182,1171 40.307,1172 40.096,1173 37.409,1174 37.406,1175 49.426,1176 1.72,1177 119.166,1178 37.277,1179 5.731,1180 5.944,1181 6.716,1182 5.474,1183 5.431,1184 7.664,1185 1.72,1186 20.596,1187 5.443,1188 10.587,1189 1.591,1190 1.679,1191 1.671,1192 1.559,1193 1.559,1194 2.059,1195 0.072,1196 4.965,1197 1.553,1198 4.153,1199 4.162,1200 4.125,1201 4.11,1202 7.497,1203 4.111,1204 3.861,1205 3.879,1206 3.807,1207 3.765,1208 7.352,1209 3.772,1210 3.501,1211 3.54,1212 3.402,1213 3.392,1214 4.894,1215 3.384,1216 3.333,1217 3.347,1218 3.27,1219 3.189,1220 4.681,1221 3.202,1222 3.173,1223 3.243,1224 3.012,1225 3.013,1226 4.239,1227 3.007,1228 3.001,1229 3.073,1230 2.811,1231 2.788,1232 3.937,1233 2.788,1234 2.777,1235 2.822,1236 2.642,1237 2.591,1238 3.835,1239 2.585,1240 2.671,1241 2.723,1242 2.503,1243 2.51,1244 3.52,1245 2.498,1246 0.2,1247 0.164,1248 0.3,1249 0.185,1250 0.143,1251 4.8,1252 0.194,1253 3.944,1254 0.036,1255 7.188,1256 0.525,1257 4.433,1258 0.143,1259 3.431,1260 4.664,1261 0.86,1262 12.596,1263 3.443,1264 2.111,1265 2.101,1266 2.172,1267 2.159,1268 1.364,1269 2.163,1270 1.746,1271 1.728,1272 1.894,1273 1.854,1274 1.172,1275 1.863,1276 1.531,1277 1.484,1278 1.736,1279 1.708,1280 0.87,1281 1.718,1282 1.286,1283 1.256,1284 1.531,1285 1.446,1286 0.594,1287 1.46,1288 1.2,1289 1.14,1290 1.416,1291 1.414,1292 0.491,1293 1.436,1294 0.993,1295 0.974,1296 1.329,1297 1.289,1298 0.438,1299 1.29,1300 0.831,1301 0.743,1302 1.058,1303 1.045,1304 0.185,1305 1.051,1306 0.664,1307 0.616,1308 0.88,1309 0.885,1311 0.892,1312 3.892,1314 5.283,1315 2.398,1316 6.893,1317 4.727,1318 8.608,1319 6.843,1320 10.382,1322 3.923,1328 0.467,1330 5.7,1332 -0.016,1340 23.832,1341 46.408,1342 119.776,1343 152.405,1344 166.015,1345 168.015,1346 168.015,1347 38.526,1348 7.533,1349 43.37,1350 43.37,1351 23,1352 12.826,1353 3.907,1354 3.248,1355 27.729,1356 54,1357 47,1358 0.273,1359 142.429,1360 253.97,1361 339.286,1362 16961,1364 14.723,1365 0.701,1366 0.566,1367 14.723,1368 11.896,1369 10.092,1370 0.421,1371 0.295,1372 7.019,1373 9.844,1374 6.776,1375 5.592,1376 10.092,1377 7.08,1378 9.569,1379 0.259,1380 0.156,1381 9.569,1382 5.771,1383 9,1384 0.161,1385 0.079,1386 9,1387 4.417,1388 8.047,1389 0.099,1390 0.041,1391 8.047,1392 3.328,1393 6.641,1394 0.061,1395 0.021,1396 6.641,1397 2.307,1398 0.396,1399 62.616,1400 0.251,1401 19.727,1402 0.856,1403 122,1404 347.207,1405 129.75,1406 333.312,1407 460.55,1408 312,1409 154,1410 340.727,1411 163.08,1412 346.965,1413 523.12,1414 328,1415 4}
{0 CHEMBL229334,1 1.344,2 5.263,3 1.619,4 2.623,5 75.071,6 6.224,8 3.831,9 3.957,10 3.263,11 3.379,12 4.678,13 3.321,14 4.513,15 4.701,16 3.742,17 3.915,18 5.27,19 3.831,20 4.953,21 5.172,22 3.994,23 4.224,24 5.829,25 4.115,26 5.145,27 5.391,28 3.957,29 4.302,30 5.958,31 4.154,32 5.149,33 5.43,34 3.642,35 4.145,36 5.971,37 3.945,38 4.901,39 5.222,40 2.801,41 3.669,42 5.714,43 3.378,44 4.296,45 4.696,46 1.293,47 2.769,48 4.931,49 2.334,50 2.831,51 3.305,52 0.12,53 1.283,54 2.944,55 0.81,56 0.046,57 0.601,58 10.622,59 4.568,60 5.855,61 6.345,62 0.123,63 1.116,64 21.104,65 8.302,66 11.909,67 11.956,68 0.353,69 1.604,70 32.993,71 12.196,72 52.46,73 17.729,74 0.381,75 1.798,76 39.668,77 14.639,78 42.499,79 21.117,80 0.448,81 1.639,82 39.667,83 13.976,84 49.94,85 20.299,86 0.409,87 1.121,88 30.74,89 10.088,90 57.549,91 14.818,92 0.259,93 0.52,94 16.306,95 4.942,96 36.262,97 7.6,98 0.038,99 0.107,100 3.392,101 1.083,102 4.253,103 1.773,104 10,105 35,106 0.242,107 0.524,108 0.779,109 0.848,110 0.873,111 0.89,112 3.017,113 1.062,114 -3.38,115 -3.36,116 -3.21,121 38.1,122 1,123 5,124 3,127 2,129 1,132 1,137 1,138 1,158 1,176 9,180 6,185 1,187 11,192 6,195 1,197 3,200 11,205 1,206 6,211 3,214 13,219 2,222 1,224 4,227 8,232 2,239 3,281 328,282 12.833,283 12.833,284 12.833,285 12.833,286 12.833,287 12.443,288 19.388,289 7.115,290 12.936,291 10.808,292 10.808,293 10.808,294 10.808,295 10.808,296 10.166,297 27.617,298 3.27,299 10.988,300 4.049,301 2.482,302 1.066,303 0.685,304 0.542,305 0.447,306 3.711,310 1,311 1,312 1,313 223,314 2.55,318 95.174,320 33.047,322 165.12,324 103.194,325 0.62,326 22.072,328 1,329 1,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.98,337 40.5,338 100,339 4.828,340 4.119,341 8.304,342 4.784,343 3.804,344 3.885,345 2.26,346 16.595,347 3.729,348 3.91,349 3.574,350 6.511,351 3.783,352 2.807,353 3.013,354 0.8,355 9.863,356 2.735,357 3.761,358 2.951,359 6.181,360 3.514,361 2.498,362 2.977,363 0.68,364 8.508,365 2.532,366 3.349,367 2.546,368 5.432,369 3.15,370 2.155,371 2.38,372 0.28,373 6.117,374 2.146,375 2.937,376 2.189,377 5.117,378 2.864,379 1.914,380 1.936,382 5.927,383 1.812,384 2.51,385 1.834,386 4.449,387 2.454,388 1.463,389 1.49,391 3.778,392 1.447,393 2.445,394 1.615,395 4.203,396 2.387,397 1.388,398 1.429,400 3.238,401 1.381,402 1.84,403 1.331,404 3.542,405 1.672,406 0.68,407 0.698,409 1.84,410 0.67,411 1.699,412 1.011,413 3.463,414 1.538,415 0.545,416 0.62,418 1.349,419 0.533,420 0.968,421 0.304,422 3.072,423 0.858,424 -0.141,425 -0.148,427 -0.354,428 -0.139,429 0.75,430 -0.044,431 2.798,432 0.626,433 -0.359,434 -0.374,436 -0.917,437 -0.352,438 0.541,439 -0.196,440 2.718,441 0.331,442 -0.655,443 -0.716,445 -1.842,446 -0.644,447 0.239,448 -0.444,449 2.529,450 0.225,451 -0.77,452 -0.784,454 -2.05,455 -0.767,456 0.128,457 -0.637,458 2.182,459 -0.022,460 -1,461 -1.067,463 -2.514,464 -0.959,465 -0.15,466 -0.74,467 1.891,468 -0.343,469 -1.342,470 -1.546,472 -3.575,473 -1.338,474 9.067,475 0.477,476 0.615,477 0.032,478 14.75,479 0.776,480 2.5,481 0.132,482 12.25,483 0.645,484 23.9,485 1.258,486 22.133,487 0.527,488 7.697,489 0.405,490 1.961,491 0.103,492 7.182,493 0.378,494 0.129,495 0.055,496 0.375,501 0.753,502 1.313,503 0.945,504 1.171,505 0.679,506 1.094,507 0.749,508 1.205,509 0.948,510 1.093,511 0.584,512 1.043,513 0.842,514 1.129,515 1.01,516 1.08,517 0.719,518 1.058,519 0.956,520 1.124,521 1.061,522 1.133,523 0.971,524 1.112,525 1.082,526 1.034,527 1.094,528 1.095,529 1.139,530 1.097,531 1.387,532 0.905,533 1.13,534 0.967,535 1.468,536 1.019,537 1.188,538 0.385,539 0.723,540 0.42,541 1.341,542 0.511,549 4.5,551 3.556,552 2.375,553 2.298,554 0.799,555 0.2,559 2610,560 4866,561 2.159,562 54.8,563 7,564 6,567 1,568 1,569 8,572 1.619,573 1.983,574 2.432,575 -0.353,577 1,579 1,582 56.435,583 1.344,584 2.91,585 4.327,586 4.708,587 4.851,588 4.946,589 1.471,590 3.682,591 4.228,592 2.43,593 415.612,594 7.276,595 3958.31,596 1,597 1,599 1,600 226.477,601 1.7,602 4.158,603 0.205,605 0.102,606 0.055,607 0.059,608 0.032,609 0.029,613 0.481,614 1,615 1,616 0.644,617 76.641,618 -0.032,619 -0.018,620 0.068,621 0.069,622 -0.043,623 0.076,624 -0.026,626 0.047,627 0.033,628 -0.019,629 0.048,630 0.057,631 -0.011,632 -0.012,633 -0.026,634 0.099,635 -0.024,636 -0.009,637 -0.098,638 -0.08,639 -0.118,640 -0.014,641 -0.109,642 -0.028,643 -0.104,644 -0.12,645 -0.148,646 -0.035,647 -0.145,648 -0.137,649 -0.101,650 -0.159,651 -0.103,652 -0.128,653 -0.132,654 -0.066,655 0.266,656 0.204,657 0.325,658 -0.107,659 0.298,660 0.282,661 0.557,662 0.808,663 0.686,664 0.173,665 0.796,666 2.073,667 5.6,668 0.842,669 7.906,670 0.988,671 1.131,672 2.147,673 4.609,674 0.626,675 3.135,676 3.584,677 4.025,678 4.443,679 4.804,680 4.949,681 5.094,682 5.187,683 5.242,684 5.118,685 3.462,686 0.577,687 261.4,688 3.135,689 4.745,690 5.687,691 6.658,692 7.624,693 8.601,694 9.572,695 10.549,696 11.522,697 12.499,698 2.4,701 1,741 42,743 2,745 22,747 45,748 16,756 4,757 13,763 1,767 6,768 4,770 6,772 3,773 13,774 4,777 2,782 1,784 1,786 2,789 1,790 1,793 23,794 3,795 1,796 3,802 1,808 0.25,809 2,811 1,829 4,831 1,833 4,835 2,841 1,849 1,850 1,855 1,857 1,859 1,864 1,868 19,875 1,876 7,880 4,881 1,882 1,893 4.8,894 1,896 1,901 9.583,902 7.483,903 3.986,904 2.942,907 0.446,908 1.06,909 0.916,910 2.501,911 7.884,912 3.219,913 3.714,914 4.174,915 4.635,916 5.056,917 5.278,918 5.472,919 5.628,920 5.67,921 5.591,922 0.5,923 43,924 7.217,926 3.393,927 0.026,929 7.575,931 14.531,933 13.976,936 2.075,937 39.417,938 0.004,941 258.964,942 43.505,943 3.124,945 67.828,948 43.505,949 326.793,950 3.124,951 8.825,952 16.884,953 52.16,954 30.278,955 6.31,957 258.964,959 258.964,960 46.629,961 67.828,964 164.795,965 119.314,966 42.683,968 28.834,969 8.319,970 9.476,972 258.964,973 70.953,974 43.505,977 258.964,978 25.203,979 21.426,981 67.828,982 258.964,983 70.953,984 43.505,986 0.608,987 0.397,988 0.244,989 0.144,990 22,991 9,994 5,995 1.5,996 2.9,997 169.135,998 0.625,999 14,1000 78.711,1005 12.107,1006 3.925,1007 1.381,1009 70.953,1017 42.683,1018 373.421,1019 24,1024 12.6,1026 2.201,1028 1.517,1031 41.476,1032 47.484,1034 0.249,1035 0.54,1036 0.802,1037 0.873,1038 0.9,1039 0.917,1040 4.595,1041 0.68,1042 5.759,1043 3.238,1044 4.263,1045 4.394,1046 2.443,1047 6.795,1048 4.232,1049 5.793,1050 0.545,1051 7.465,1052 1.84,1053 4.205,1054 4.369,1055 2.085,1056 8.371,1057 4.152,1058 7.154,1059 -0.141,1060 9.294,1061 1.349,1062 6.103,1063 6.344,1064 3.562,1065 11.615,1066 6.037,1067 8.547,1068 -0.359,1069 11.203,1070 -0.354,1071 6.889,1072 7.116,1073 3.895,1074 14.063,1075 6.797,1076 9.983,1077 -0.655,1078 13.167,1079 -0.917,1080 8.357,1081 8.643,1082 5.023,1083 16.965,1084 8.249,1085 11.447,1086 -0.77,1087 15.169,1088 -1.842,1089 9.489,1090 9.747,1091 5.617,1092 19.676,1093 9.356,1094 12.934,1095 -1,1096 17.201,1097 -2.05,1098 10.842,1099 11.137,1100 6.585,1101 22.505,1102 10.69,1103 3.804,1104 -1.342,1105 19.253,1106 -2.514,1107 12.104,1108 12.379,1109 7.293,1110 25.288,1111 11.928,1112 2.807,1113 16.595,1114 21.321,1115 -3.575,1116 13.433,1117 13.731,1118 8.183,1119 28.101,1120 13.238,1121 2.498,1122 9.863,1123 23.401,1124 3.885,1125 14.74,1126 15.033,1127 8.946,1128 30.902,1129 14.523,1130 2.155,1131 8.508,1132 25.49,1133 3.013,1134 16.069,1135 16.378,1136 9.798,1137 33.712,1138 15.831,1139 1.914,1140 6.117,1141 27.586,1142 2.977,1143 17.393,1144 17.707,1145 10.587,1146 36.519,1147 17.134,1148 1.463,1149 5.927,1150 29.687,1151 2.38,1152 18.724,1153 19.054,1154 11.421,1155 39.328,1156 18.445,1157 1.388,1158 3.778,1159 31.791,1160 1.936,1161 20.054,1162 20.396,1163 12.223,1164 42.136,1165 19.755,1166 2539,1167 3498,1168 14.622,1169 26.29,1170 34.921,1171 35.91,1172 37.131,1173 34.535,1174 34.508,1175 36.857,1176 8.04,1177 114.429,1178 33.97,1179 5.828,1180 6.071,1181 7.867,1182 5.831,1183 5.804,1184 6.351,1185 3.855,1186 25.431,1187 5.729,1188 8.358,1189 1.587,1190 1.632,1191 1.688,1192 1.57,1193 1.569,1194 1.675,1195 0.365,1196 5.201,1197 1.544,1198 4.105,1199 4.142,1200 4.029,1201 4.009,1202 7.427,1203 4.008,1204 3.651,1205 3.71,1206 3.523,1207 3.532,1208 6.443,1209 3.521,1210 3.567,1211 3.624,1212 3.443,1213 3.425,1214 4.528,1215 3.414,1216 3.452,1217 3.498,1218 3.31,1219 3.288,1220 4.217,1221 3.292,1222 3.069,1223 3.135,1224 2.902,1225 2.922,1226 3.92,1227 2.906,1228 3.018,1229 3.087,1230 2.834,1231 2.821,1232 3.677,1233 2.813,1234 2.957,1235 3.061,1236 2.731,1237 2.728,1238 3.406,1239 2.714,1240 2.655,1241 2.766,1242 2.357,1243 2.432,1244 3.378,1245 2.398,1246 0.219,1247 0.187,1248 0.377,1249 0.217,1250 0.173,1251 4.828,1252 0.177,1253 4.119,1254 0.103,1255 8.304,1256 0.754,1257 4.784,1258 0.17,1259 3.804,1260 3.885,1261 2.26,1262 16.595,1263 3.729,1264 2.063,1265 2.03,1266 2.199,1267 2.184,1268 1.64,1269 2.191,1270 1.66,1271 1.604,1272 1.887,1273 1.817,1274 1.235,1275 1.842,1276 1.574,1277 1.514,1278 1.835,1279 1.75,1280 1.146,1281 1.78,1282 1.421,1283 1.377,1284 1.651,1285 1.629,1286 0.893,1287 1.636,1288 1.079,1289 1.015,1290 1.381,1291 1.29,1292 0.725,1293 1.321,1294 1.007,1295 0.938,1296 1.351,1297 1.25,1298 0.587,1299 1.285,1300 0.962,1301 0.861,1302 1.308,1303 1.238,1304 0.571,1305 1.27,1306 0.692,1307 0.586,1308 1.088,1309 0.963,1310 0.282,1311 1.014,1312 3.807,1314 5.22,1316 6.882,1318 8.677,1320 10.543,1322 2.18,1327 10.442,1328 7.868,1332 -0.07,1333 2.614,1334 0.066,1340 24.246,1341 56.435,1342 122.239,1343 181.722,1344 197.722,1345 203.722,1346 207.722,1347 36.323,1348 7.438,1349 40.54,1350 40.54,1351 24,1352 12.972,1353 1.585,1354 1.585,1355 23.93,1356 40,1357 35,1358 0.324,1359 143.606,1360 259.22,1361 342.159,1362 14572,1364 13.198,1365 0.695,1366 0.613,1367 13.198,1368 11.639,1369 9.143,1370 0.416,1371 0.354,1372 7.725,1373 8.92,1374 7.539,1375 6.122,1376 9.143,1377 7.785,1378 8.811,1379 0.252,1380 0.201,1381 8.811,1382 7.036,1383 8.309,1384 0.151,1385 0.113,1386 8.309,1387 6.201,1388 7.756,1389 0.092,1390 0.067,1391 7.756,1392 5.667,1393 7.151,1394 0.059,1395 0.041,1396 7.151,1397 4.919,1398 0.45,1399 56.563,1400 0.262,1401 17.532,1402 1.109,1403 114,1404 231.53,1405 120.955,1406 221.62,1407 305.13,1408 208,1409 147,1410 222.726,1411 155.259,1412 225.044,1413 344.02,1414 214,1415 4.777}
{0 CHEMBL230434,1 1.288,2 23.091,3 8.666,4 75.103,5 191.554,6 5.912,7 0.391,8 4.652,9 4.8,10 4.006,11 4.141,12 5.558,13 4.071,14 5.233,15 5.459,16 4.244,17 4.505,18 6.019,19 4.392,20 5.492,21 5.759,22 4.322,23 4.668,24 6.199,25 4.519,26 5.598,27 5.873,28 4.277,29 4.726,30 6.279,31 4.546,32 5.661,33 5.957,34 4.256,35 4.765,36 6.29,37 4.563,38 5.677,39 5.976,40 4.212,41 4.749,42 6.317,43 4.545,44 5.629,45 5.923,46 4.096,47 4.702,48 6.267,49 4.482,50 5.587,51 5.904,52 3.978,53 4.612,54 6.169,55 4.371,56 0.135,57 1.398,58 25.536,59 9.937,60 18.518,61 14.588,62 0.38,63 2.19,64 44.245,65 15.341,66 35.454,67 23.324,68 0.426,69 2.664,70 55.505,71 19.744,72 41.757,73 30.027,74 0.598,75 2.847,76 61.17,77 22.18,78 48.852,79 33.314,80 0.46,81 2.98,82 63.709,83 24.192,84 44.69,85 36.12,86 0.537,87 2.948,88 64.953,89 23.824,90 51.226,91 35.667,92 0.547,93 2.8,94 61.726,95 23.431,96 49.746,97 34.499,98 0.4,99 2.618,100 57.935,101 22.104,102 42.091,103 33.038,104 33,105 56,106 0.189,107 0.424,108 0.617,109 0.712,110 0.735,111 0.747,112 3.809,113 1.104,114 -6.35,115 -6.19,116 -5.74,121 37.3,122 2,123 8,126 2,127 8,144 12,145 2,146 4,176 16,180 10,185 6,187 14,192 8,197 6,200 8,205 2,206 8,211 2,214 10,219 4,223 1,224 2,227 16,232 4,239 22,244 2,247 2,249 2,251 22,256 2,261 2,264 12,269 6,274 6,277 7,281 5256,282 30.689,283 30.689,284 30.689,285 30.689,286 30.689,287 28.463,288 41.921,289 19.205,290 31.451,291 22.518,292 22.518,293 22.518,294 22.518,295 22.518,296 19.187,297 57.311,298 8.874,299 23.47,300 5.384,301 3.782,302 2.461,303 1.814,304 1.657,305 1.579,306 4.498,313 2108,314 5.385,318 597.276,325 4.083,326 18.467,329 0.5,330 0.5,331 0.5,332 0.8,333 1,334 0.5,335 0.5,336 0.61,337 92,338 1016,339 4.206,340 3.188,341 6.159,342 3.84,343 2.875,344 3.805,345 0.916,346 9.118,347 2.773,348 4.206,349 3.188,350 6.159,351 3.84,352 2.875,353 3.805,354 0.916,355 9.118,356 2.773,357 4.039,358 2.785,359 5.492,360 3.632,361 2.659,362 3.637,363 0.86,364 7.39,365 2.587,366 3.5,367 2.729,368 5.284,369 3.304,370 2.38,371 2.776,372 0.86,373 6.713,374 2.199,375 3.43,376 2.729,377 5.284,378 3.304,379 2.38,380 2.467,381 0.4,382 6.713,383 2.197,384 3.43,385 2.443,386 5.13,387 3.188,388 2.235,389 2.467,390 0.4,391 6.381,392 2.127,393 2.917,394 1.963,395 4.316,396 2.794,397 1.804,398 2.088,399 0.172,400 4.043,401 1.783,402 2.917,403 1.96,404 4.316,405 2.757,406 1.765,407 2.088,408 0.172,409 4.042,410 1.749,411 2.865,412 1.831,413 3.841,414 2.494,415 1.546,416 1.96,418 3.624,419 1.459,420 2.859,421 1.775,422 3.818,423 2.49,424 1.542,425 1.959,427 3.575,428 1.453,429 2.78,430 1.524,431 3.622,432 2.435,433 1.441,434 1.799,436 3.029,437 1.429,438 2.756,439 1.513,440 3.621,441 2.429,442 1.434,443 1.771,445 3.025,446 1.426,447 2.5,448 1.424,449 3.463,450 2.282,451 1.307,452 1.5,454 2.723,455 1.271,456 2.357,457 1.319,458 3.414,459 2.216,460 1.235,461 1.353,463 2.571,464 1.21,465 2.284,466 1,467 3.384,468 2,469 1,470 1.278,472 2.275,473 1,474 21.267,475 0.483,476 0.512,477 0.012,478 46.5,479 1.057,480 20,481 0.455,482 26.5,483 0.602,484 50.335,485 1.144,486 51.333,487 0.503,488 34.433,489 0.783,490 8.859,491 0.201,492 12.801,493 0.291,494 0.094,496 0.179,501 1,502 1.514,503 1.071,504 1.326,505 0.954,506 1.219,507 1.522,508 1.174,509 1.156,510 1.07,511 1.112,512 1.075,513 1.061,514 1.095,515 1.02,516 1.035,517 0.823,518 1.017,519 1.087,520 1.077,521 1.095,522 1.066,523 1.064,524 1.08,525 0.7,526 1.031,527 0.976,528 1.045,529 0.8,530 1.033,531 1.081,532 0.95,533 1.036,534 0.979,535 1.069,536 0.999,537 1.03,538 0.976,539 1.105,540 1.057,541 1.173,542 1.087,543 0.657,544 1.01,545 0.942,546 1.019,547 0.879,548 1.008,549 6,550 0.132,551 3.111,552 1.5,553 1.627,554 0.819,555 0.567,556 0.323,557 0.156,558 0.202,559 47192,560 91181,561 2.022,562 56.9,563 8,564 34,567 2,569 14,572 1.811,573 1.941,574 4.421,575 0.013,582 131.403,583 1.288,584 2.89,585 4.211,586 4.859,587 5.015,588 5.094,589 3.789,590 4.243,591 5.434,592 4.723,593 4467.51,594 9.55,595 105356,600 680.587,601 1.096,602 5.414,603 0.13,604 0.003,605 0.056,606 0.025,607 0.03,608 0.015,609 0.011,610 0.008,611 0.004,612 0.005,613 0.289,614 0.33,615 0.63,616 0.753,617 272.794,618 0.045,619 -0.186,620 0.053,621 -0.088,622 0.092,623 -0.027,624 -0.141,625 -0.008,626 -0.064,627 -0.009,629 -0.026,630 -0.031,631 -0.021,632 0.005,633 -0.018,634 0.096,635 -0.003,637 -0.048,638 -0.082,639 -0.06,640 -0.062,641 -0.077,642 0.025,643 -0.039,644 -0.009,645 -0.044,646 -0.01,647 -0.032,648 -0.083,649 0.025,650 -0.052,651 -0.003,652 -0.096,653 -0.02,654 -0.066,655 -0.004,656 -0.126,657 -0.066,658 -0.172,659 -0.098,660 0.015,661 -0.082,662 -0.005,663 -0.047,664 -0.064,665 -0.032,666 0.678,667 2.023,668 0.409,669 84.545,670 0.98,671 1.134,672 5.122,673 26.235,674 0.622,675 3.85,676 4.043,677 4.234,678 4.369,679 4.511,680 4.419,681 4.369,682 4.317,683 4.29,684 4.29,685 14.006,686 0.566,687 603,688 3.85,689 5.323,690 6.116,691 6.925,692 7.732,693 8.547,694 9.361,695 10.178,696 10.994,697 11.814,698 3.9,701 2,703 2,715 12,720 6,722 18,734 2,739 2,741 102,743 18,744 3,745 46,747 104,748 38,749 18,750 6,751 12,756 3,757 3,763 2,770 8,772 18,773 20,793 58,794 6,795 2,796 6,802 4,808 1,809 2,829 3,855 2,859 3,864 4,868 44,876 16,877 2,878 2,881 2,893 2,898 2,901 22.667,902 18.733,903 10.556,904 6.822,907 2.766,908 1.353,909 0.935,910 17.965,911 10.608,912 4.025,913 4.449,914 4.896,915 5.316,916 5.755,917 5.605,918 5.634,919 5.646,920 5.645,921 5.622,922 0.933,923 59,924 16.313,926 6.35,927 0.026,929 7.364,931 32.773,933 25.729,936 1.864,937 82,941 659.182,942 212.625,943 42.27,945 22,948 212.625,949 681.181,950 42.27,951 39.417,952 37.122,953 113.715,954 36.022,955 50.62,957 659.182,959 659.182,960 254.895,961 22,964 494.386,965 186.795,968 61.021,969 157.853,970 36.022,972 659.182,973 64.27,974 212.625,977 659.182,978 59.493,979 159.38,980 36.022,981 22,982 659.182,983 64.27,984 212.625,986 0.541,987 0.317,988 0.167,989 0.089,990 17,991 8,992 0.231,993 24,995 1,996 5.774,997 369.617,999 18,1000 192.215,1005 35.903,1006 22.017,1007 13.955,1009 64.27,1010 25.493,1015 6.935,1017 36.022,1018 936.076,1019 55,1031 99.919,1032 115.622,1034 0.193,1035 0.433,1036 0.631,1037 0.728,1038 0.752,1039 0.763,1040 5.201,1041 1.765,1042 6.014,1043 4.043,1044 4.727,1045 5.136,1046 2.029,1047 6.681,1048 4.649,1049 6.302,1050 1.546,1051 7.478,1052 4.042,1053 3.892,1054 4.543,1055 0.57,1056 7.322,1057 3.741,1058 7.532,1059 1.542,1060 9.044,1061 3.624,1062 6.176,1063 7.124,1064 1.649,1065 10.366,1066 6.019,1067 8.798,1068 1.441,1069 10.674,1070 3.575,1071 6.256,1072 7.443,1073 0.674,1074 11.905,1075 6.018,1076 10.104,1077 1.434,1078 12.349,1079 3.029,1080 7.876,1081 9.434,1082 1.397,1083 14.406,1084 7.643,1085 11.435,1086 1.307,1087 14.054,1088 3.025,1089 8.414,1090 10.192,1091 0.66,1092 16.312,1093 8.106,1094 12.787,1095 1.235,1096 15.781,1097 2.723,1098 9.729,1099 11.909,1100 1.193,1101 18.625,1102 9.422,1103 2.875,1104 1,1105 17.524,1106 2.571,1107 10.508,1108 12.9,1109 0.611,1110 20.693,1111 10.138,1112 2.875,1113 9.118,1114 19.28,1115 2.275,1116 11.677,1117 14.466,1118 1.019,1119 22.937,1120 11.299,1121 2.659,1122 9.118,1123 21.044,1124 3.805,1125 12.583,1126 15.588,1127 0.55,1128 25.078,1129 12.152,1130 2.38,1131 7.39,1132 22.817,1133 3.805,1134 13.682,1135 17.064,1136 0.867,1137 27.298,1138 13.235,1139 2.38,1140 6.713,1141 24.595,1142 3.637,1143 14.654,1144 18.264,1145 0.487,1146 29.473,1147 14.161,1148 2.235,1149 6.713,1150 26.379,1151 2.776,1152 15.722,1153 19.686,1154 0.735,1155 31.684,1156 15.207,1157 1.804,1158 6.381,1159 28.167,1160 2.467,1161 16.729,1162 20.934,1163 0.427,1164 33.877,1165 16.172,1166 45870,1167 63912,1168 30.97,1169 63.49,1170 63.409,1171 64.19,1172 66.19,1173 63.518,1174 63.517,1175 76.552,1176 9.395,1177 160.608,1178 61.034,1179 5.17,1180 5.188,1181 6.025,1182 4.872,1183 4.875,1184 6.805,1185 1.776,1186 15.307,1187 4.773,1188 20.29,1189 1.378,1190 1.395,1191 1.439,1192 1.381,1193 1.381,1194 1.664,1195 0.204,1196 3.491,1197 1.327,1198 3.995,1199 4.038,1200 3.917,1201 3.898,1202 4.881,1203 3.897,1204 3.925,1205 3.956,1206 3.861,1207 3.845,1208 4.847,1209 3.844,1210 3.919,1211 3.955,1212 3.855,1213 3.835,1214 4.783,1215 3.836,1216 3.758,1217 3.823,1218 3.608,1219 3.624,1220 4.394,1221 3.609,1222 3.748,1223 3.806,1224 3.606,1225 3.622,1226 4.392,1227 3.608,1228 3.61,1229 3.689,1230 3.46,1231 3.423,1232 4.288,1233 3.42,1234 3.578,1235 3.654,1236 3.416,1237 3.405,1238 4.284,1239 3.398,1240 3.399,1241 3.488,1242 3.217,1243 3.214,1244 4.23,1245 3.201,1246 0.091,1247 0.069,1248 0.134,1249 0.083,1250 0.063,1251 4.206,1252 0.083,1253 3.188,1254 0.02,1255 6.159,1256 0.198,1257 3.84,1258 0.06,1259 2.875,1260 3.805,1261 0.916,1262 9.118,1263 2.773,1264 1.915,1265 1.887,1266 2.061,1267 2.041,1268 1.383,1269 2.05,1270 1.913,1271 1.887,1272 2.051,1273 2.031,1274 1.38,1275 2.039,1276 1.907,1277 1.873,1278 2.028,1279 2.021,1280 1.219,1281 2.026,1282 1.77,1283 1.707,1284 1.997,1285 1.933,1286 1.213,1287 1.958,1288 1.751,1289 1.691,1290 1.965,1291 1.906,1292 1.115,1293 1.929,1294 1.596,1295 1.519,1296 1.859,1297 1.813,1298 1.069,1299 1.832,1300 1.577,1301 1.501,1302 1.846,1303 1.78,1304 1.032,1305 1.807,1306 1.408,1307 1.324,1308 1.723,1309 1.635,1310 0.955,1311 1.669,1312 4.533,1314 5.759,1316 7.174,1318 8.677,1320 10.228,1322 8,1328 18.32,1329 7.182,1330 11.047,1333 5.024,1340 57.739,1341 131.403,1342 294.824,1343 429.529,1344 495.568,1345 511.568,1346 519.568,1347 97.013,1348 7.842,1349 49,1350 49,1351 18,1352 12.396,1353 4.248,1354 3.322,1355 103.371,1356 382,1357 274,1358 0.124,1359 361.922,1360 634,1361 874.85,1362 42114,1364 31.246,1365 0.71,1366 0.635,1367 31.246,1368 27.953,1369 21.66,1370 0.471,1371 0.368,1372 16.739,1373 20.987,1374 16.219,1375 13.676,1376 21.66,1377 16.927,1378 17.023,1379 0.304,1380 0.208,1381 17.023,1382 11.621,1383 14.024,1384 0.206,1385 0.124,1386 14.024,1387 8.413,1388 10.7,1389 0.137,1390 0.072,1391 10.7,1392 5.646,1393 8.291,1394 0.092,1395 0.042,1396 8.291,1397 3.825,1398 0.215,1399 134.324,1400 0.18,1401 41.39,1402 0.295,1403 204,1404 461.427,1405 217.362,1406 447.46,1407 617.62,1408 426,1409 226,1410 444.697,1411 240.306,1412 457.463,1413 654.12,1414 428,1415 7.372}
{0 CHEMBL230702,1 1.392,2 21.227,3 5.647,4 31.887,5 184.119,6 6.301,7 0.261,8 4.605,9 4.741,10 4.009,11 4.085,12 5.595,13 4.033,14 5.174,15 5.39,16 4.275,17 4.443,18 6.065,19 4.358,20 5.423,21 5.669,22 4.39,23 4.606,24 6.302,25 4.493,26 5.538,27 5.793,28 4.35,29 4.669,30 6.374,31 4.523,32 5.615,33 5.891,34 4.32,35 4.715,36 6.423,37 4.545,38 5.639,39 5.918,40 4.259,41 4.704,42 6.417,43 4.529,44 5.584,45 5.857,46 4.149,47 4.65,48 6.356,49 4.459,50 5.555,51 5.861,52 4.038,53 4.534,54 6.297,55 4.33,56 0.096,57 1.316,58 23.242,59 9.212,60 15.368,61 13.155,62 0.376,63 2.056,64 41.473,65 13.985,66 37.136,67 21.014,68 0.538,69 2.488,70 52.864,71 17.939,72 59.715,73 27.048,74 0.751,75 2.678,76 59.331,77 20.337,78 67.856,79 30.391,80 0.657,81 2.827,82 63.211,83 22.476,84 82.56,85 33.524,86 0.752,87 2.801,88 65.204,89 22.624,90 76.646,91 33.364,92 0.601,93 2.646,94 61.363,95 21.962,96 68.334,97 32.272,98 0.604,99 2.487,100 59.449,101 19.794,102 72.858,103 30.256,104 53,105 58,106 0.206,107 0.492,108 0.697,109 0.783,110 0.807,111 0.816,112 3.809,113 1.052,114 -4.03,115 -3.98,116 -3.77,121 37.5,122 2,123 6,126 2,127 8,137 2,140 2,144 8,145 2,146 2,158 2,176 12,180 13,185 3,187 10,191 1,192 11,196 1,197 3,200 5,205 2,206 9,209 2,211 1,214 8,219 3,222 2,224 1,227 12,231 1,232 6,235 1,237 2,239 18,244 5,249 3,251 12,256 8,261 4,264 6,268 1,269 4,272 1,274 2,277 3,281 5112,282 30.275,283 30.275,284 30.275,285 30.275,286 30.275,287 27.991,288 40.87,289 18.592,290 31.033,291 22.474,292 22.474,293 22.474,294 22.474,295 22.474,296 18.934,297 52.552,298 8.522,299 23.421,300 5.193,301 3.263,302 1.875,303 1.297,304 1.136,305 1.073,306 4.494,312 1,313 1936,314 5.292,318 586.883,325 3.934,326 35.723,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 94,338 934,339 4.381,340 3.581,341 6.25,342 3.974,343 2.988,344 3.846,345 0.916,346 9.366,347 2.947,348 4.206,349 3.188,350 6.159,351 3.84,352 2.875,353 3.805,354 0.916,355 9.118,356 2.773,357 4.206,358 3.188,359 6.159,360 3.84,361 2.875,362 3.805,363 0.86,364 9.118,365 2.773,366 3.773,367 2.889,368 5.741,369 3.393,370 2.423,371 3.014,372 0.86,373 7.583,374 2.34,375 3.43,376 2.729,377 5.284,378 3.304,379 2.38,380 2.467,381 0.6,382 6.713,383 2.197,384 3.43,385 2.729,386 5.284,387 3.302,388 2.378,389 2.467,390 0.4,391 6.713,392 2.196,393 3.265,394 2.437,395 4.559,396 2.795,397 1.808,398 2.385,399 0.172,400 4.72,401 1.776,402 2.917,403 1.974,404 4.316,405 2.752,406 1.772,407 2.088,408 0.172,409 4.043,410 1.733,411 2.917,412 1.958,413 4.316,414 2.619,415 1.632,416 2.088,418 4.04,419 1.607,420 2.869,421 1.918,422 3.912,423 2.489,424 1.542,425 1.96,427 3.626,428 1.451,429 2.85,430 1.706,431 3.772,432 2.481,433 1.531,434 1.956,436 3.439,437 1.445,438 2.796,439 1.577,440 3.628,441 2.428,442 1.434,443 1.801,445 3.029,446 1.424,447 2.691,448 1.507,449 3.619,450 2.418,451 1.423,452 1.69,454 3.019,455 1.415,456 2.486,457 1.492,458 3.571,459 2.199,460 1.238,461 1.382,463 2.724,464 1.184,465 2.12,466 1.158,467 3.282,468 2.026,469 1.05,470 1.086,472 2.212,473 1.022,474 20.933,475 0.476,476 0.691,477 0.016,478 46,479 1.045,480 19,481 0.432,482 27,483 0.614,484 50.489,485 1.147,486 51.067,487 0.532,488 38.174,489 0.868,490 9.177,491 0.209,492 12.305,493 0.28,494 0.127,496 0.229,501 0.882,502 1.511,503 0.983,504 1.313,505 0.757,506 1.181,507 1.192,508 1.151,509 1.053,510 1.033,511 0.699,512 1.014,513 0.931,514 1.109,515 0.968,516 1.041,517 0.754,518 1.004,519 0.972,520 1.089,521 1.068,522 1.077,523 0.867,524 1.083,525 0.761,526 1.037,527 0.983,528 1.055,529 0.836,530 1.045,531 1.105,532 0.896,533 1.071,534 0.972,535 1.159,536 1.011,537 1.053,538 1.098,539 1.12,540 1.125,541 1.152,542 1.138,543 0.924,544 0.969,545 0.964,546 0.95,547 1.115,548 0.959,549 7,550 0.215,551 4,552 2.25,553 2.249,554 1.042,555 0.73,556 0.385,557 0.304,558 0.242,559 43240,560 95098,561 1.995,562 54.2,563 4,564 32,567 2,569 14,572 1.814,573 1.886,574 4.299,575 0.058,582 133.616,583 1.392,584 3.322,585 4.71,586 5.288,587 5.449,588 5.512,589 3.698,590 4.243,591 5.432,592 4.599,593 4350.6,594 9.565,595 97260,600 632.156,601 1.293,602 5.398,603 0.152,604 0.005,605 0.069,606 0.036,607 0.039,608 0.019,609 0.014,610 0.009,611 0.008,612 0.006,613 0.355,614 0.33,615 0.75,616 0.831,617 269.127,618 -0.006,619 -0.201,620 0.045,621 -0.088,622 -0.014,623 -0.028,624 -0.114,625 0.012,626 -0.018,627 0.019,628 0.026,629 0.017,630 0.034,631 -0.024,632 0.038,633 -0.022,634 0.115,635 0.007,636 0.038,637 -0.05,638 -0.067,639 -0.07,640 0.015,641 -0.082,642 0.046,643 -0.041,644 -0.016,645 -0.054,646 0.066,647 -0.043,648 -0.089,649 0.076,650 -0.082,651 0.005,652 -0.111,653 -0.031,654 -0.096,655 -0.136,656 -0.143,657 -0.121,658 -0.13,659 -0.139,660 -0.042,661 -0.046,662 0.002,663 -0.011,664 -0.088,665 -0.001,666 1.825,667 5.629,668 0.409,669 81.818,670 0.989,671 1.133,672 2.796,673 7.82,674 0.626,675 3.85,676 4.078,677 4.29,678 4.443,679 4.595,680 4.511,681 4.443,682 4.394,683 4.394,684 4.419,685 12.831,686 0.579,687 604.92,688 3.85,689 5.342,690 6.151,691 6.978,692 7.803,693 8.636,694 9.468,695 10.303,696 11.137,697 11.974,698 4.2,700 1,701 2,707 1,715 8,720 4,722 12,739 2,741 96,743 16,744 2,745 46,747 98,748 36,749 12,750 4,751 8,752 6,756 3,757 3,763 2,770 6,772 18,773 18,777 4,782 1,784 2,785 1,786 4,793 52,794 8,795 2,796 8,802 4,808 1,809 4,829 3,839 1,841 1,849 4,853 1,855 2,857 1,859 3,864 4,868 44,875 1,876 14,877 1,878 2,881 2,893 4.2,895 1,896 1,898 2,901 23.333,902 17.883,903 10.444,904 6.279,907 2.903,908 1.369,909 0.92,910 16.26,911 10.764,912 4.043,913 4.489,914 4.959,915 5.365,916 5.78,917 5.718,918 5.741,919 5.759,920 5.778,921 5.793,922 0.929,923 63,924 16.35,926 6.527,927 0.026,929 7.587,931 32.006,933 25.117,936 2.087,937 91.833,941 588.555,942 193.737,943 41.045,945 89.828,948 193.737,949 678.383,950 41.045,951 39.417,952 32.053,953 112.773,954 78.475,955 61.892,957 588.555,959 588.555,960 234.782,961 89.828,964 423.76,965 254.623,968 90.748,969 122.324,970 21.709,972 588.555,973 130.873,974 193.737,977 588.555,978 59.558,979 140.428,980 18.011,981 106.614,982 588.555,983 130.873,984 193.737,986 0.551,987 0.329,988 0.174,989 0.093,990 19,991 10,992 0.214,993 21,995 1,996 5.575,997 383.999,999 18,1000 240.215,1005 35.517,1006 20.144,1007 12.163,1009 130.873,1010 16.335,1015 4.268,1017 60.694,1018 913.165,1019 56,1024 12.629,1026 2.963,1027 4.478,1028 0.727,1031 94.923,1032 108.796,1034 0.211,1035 0.505,1036 0.715,1037 0.803,1038 0.828,1039 0.837,1040 5.247,1041 1.772,1042 6.08,1043 4.72,1044 4.762,1045 5.176,1046 2.08,1047 6.799,1048 4.687,1049 6.384,1050 1.632,1051 7.583,1052 4.043,1053 4.111,1054 4.745,1055 0.57,1056 7.554,1057 3.992,1058 7.646,1059 1.542,1060 9.19,1061 4.04,1062 6.263,1063 7.196,1064 1.689,1065 10.61,1066 6.121,1067 8.944,1068 1.531,1069 10.86,1070 3.626,1071 6.494,1072 7.642,1073 0.674,1074 12.211,1075 6.307,1076 10.28,1077 1.434,1078 12.572,1079 3.439,1080 8.033,1081 9.529,1082 1.417,1083 14.749,1084 7.832,1085 11.641,1086 1.423,1087 14.311,1088 3.029,1089 8.689,1090 10.396,1091 0.66,1092 16.689,1093 8.45,1094 13.021,1095 1.238,1096 16.069,1097 3.019,1098 9.964,1099 12.031,1100 1.203,1101 19.039,1102 9.713,1103 2.988,1104 1.05,1105 17.84,1106 2.724,1107 10.831,1108 13.112,1109 0.611,1110 21.127,1111 10.55,1112 2.875,1113 9.366,1114 19.621,1115 2.212,1116 11.988,1117 14.618,1118 1.023,1119 23.402,1120 11.693,1121 2.875,1122 9.118,1123 21.409,1124 3.846,1125 12.959,1126 15.812,1127 0.55,1128 25.558,1129 12.638,1130 2.423,1131 9.118,1132 23.203,1133 3.805,1134 14.064,1135 17.248,1136 0.869,1137 27.801,1138 13.729,1139 2.38,1140 7.583,1141 25.002,1142 3.805,1143 15.086,1144 18.503,1145 0.487,1146 29.989,1147 14.729,1148 2.378,1149 6.713,1150 26.804,1151 3.014,1152 16.17,1153 19.9,1154 0.735,1155 32.22,1156 15.797,1157 1.808,1158 6.713,1159 28.609,1160 2.467,1161 17.217,1162 21.191,1163 0.427,1164 34.424,1165 16.824,1166 42182,1167 62758,1168 30.394,1169 60.114,1170 64.945,1171 66.306,1172 67.56,1173 64.519,1174 64.542,1175 78.167,1176 9.795,1177 169.59,1178 62.035,1179 5.342,1180 5.581,1181 6.076,1182 5.009,1183 4.988,1184 6.846,1185 1.776,1186 16.052,1187 4.947,1188 24.048,1189 1.412,1190 1.441,1191 1.469,1192 1.403,1193 1.403,1194 1.699,1195 0.213,1196 3.687,1197 1.349,1198 3.989,1199 4.028,1200 3.92,1201 3.889,1202 7.428,1203 3.891,1204 3.925,1205 3.956,1206 3.861,1207 3.845,1208 6.469,1209 3.844,1210 3.905,1211 3.931,1212 3.859,1213 3.793,1214 4.877,1215 3.807,1216 3.744,1217 3.81,1218 3.599,1219 3.599,1220 4.847,1221 3.588,1222 3.725,1223 3.782,1224 3.588,1225 3.587,1226 4.617,1227 3.577,1228 3.578,1229 3.658,1230 3.432,1231 3.387,1232 4.394,1233 3.385,1234 3.535,1235 3.61,1236 3.367,1237 3.362,1238 4.392,1239 3.352,1240 3.33,1241 3.418,1242 3.162,1243 3.14,1244 4.351,1245 3.131,1246 0.095,1247 0.078,1248 0.136,1249 0.086,1250 0.065,1251 4.381,1252 0.084,1253 3.581,1254 0.02,1255 6.25,1256 0.204,1257 3.974,1258 0.064,1259 2.988,1260 3.846,1261 0.916,1262 9.366,1263 2.947,1264 1.913,1265 1.887,1266 2.049,1267 2.035,1268 1.358,1269 2.041,1270 1.913,1271 1.887,1272 2.046,1273 2.031,1274 1.353,1275 2.037,1276 1.854,1277 1.828,1278 1.995,1279 2,1280 1.194,1281 1.993,1282 1.749,1283 1.684,1284 1.978,1285 1.918,1286 1.189,1287 1.941,1288 1.717,1289 1.658,1290 1.893,1291 1.884,1292 1.042,1293 1.896,1294 1.564,1295 1.485,1296 1.838,1297 1.784,1298 1.025,1299 1.805,1300 1.538,1301 1.461,1302 1.812,1303 1.742,1304 0.965,1305 1.77,1306 1.332,1307 1.247,1308 1.646,1309 1.566,1310 0.883,1311 1.599,1312 4.533,1314 5.784,1316 7.228,1318 8.765,1320 10.352,1322 7.79,1327 10.501,1328 13.093,1329 3.228,1330 10.983,1333 4.838,1340 55.588,1341 133.616,1342 318.941,1343 452.143,1344 507.627,1345 523.137,1346 529.137,1347 123.649,1348 7.861,1349 86.63,1350 86.63,1351 18,1352 12.542,1353 4.087,1354 3.459,1355 103.063,1356 346,1357 268,1358 0.138,1359 347.803,1360 625.24,1361 840.399,1362 39836,1364 31.572,1365 0.718,1366 0.618,1367 31.572,1368 27.187,1369 21.481,1370 0.467,1371 0.351,1372 15.91,1373 20.678,1374 15.423,1375 12.952,1376 21.481,1377 16.124,1378 17.375,1379 0.3,1380 0.192,1381 17.375,1382 11.128,1383 14.442,1384 0.201,1385 0.111,1386 14.442,1387 8.026,1388 11.094,1389 0.132,1390 0.064,1391 11.094,1392 5.353,1393 8.678,1394 0.089,1395 0.037,1396 8.678,1397 3.595,1398 0.234,1399 134.407,1400 0.181,1401 40.858,1402 0.336,1403 208,1404 558.624,1405 225.569,1406 532.891,1407 719.25,1408 502,1409 234,1410 507.786,1411 252.737,1412 518.002,1413 746.32,1414 484,1415 8.627}
{0 CHEMBL231160,1 1.372,2 22.783,3 6.559,4 43.024,5 193.321,6 6.206,7 0.25,8 4.661,9 4.799,10 4.05,11 4.142,12 5.633,13 4.086,14 5.236,15 5.454,16 4.312,17 4.504,18 6.107,19 4.411,20 5.493,21 5.746,22 4.423,23 4.666,24 6.346,25 4.544,26 5.601,27 5.862,28 4.385,29 4.726,30 6.415,31 4.573,32 5.674,33 5.954,34 4.356,35 4.769,36 6.462,37 4.593,38 5.696,39 5.979,40 4.296,41 4.756,42 6.454,43 4.576,44 5.648,45 5.927,46 4.188,47 4.708,48 6.404,49 4.513,50 5.603,51 5.903,52 4.081,53 4.618,54 6.315,55 4.406,56 0.108,57 1.393,58 24.903,59 9.894,60 16.411,61 14.169,62 0.389,63 2.181,64 44.218,65 15.123,66 38.564,67 22.725,68 0.564,69 2.644,70 56.6,71 19.398,72 62.477,73 29.272,74 0.773,75 2.834,76 62.945,77 21.774,78 70.003,79 32.573,80 0.677,81 2.982,82 66.661,83 23.888,84 84.2,85 35.639,86 0.712,87 2.954,88 68.509,89 23.75,90 76.125,91 35.361,92 0.714,93 2.807,94 65.147,95 23.285,96 73.44,97 34.171,98 0.55,99 2.618,100 61.487,101 22.007,102 65.41,103 32.839,104 53,105 60,106 0.201,107 0.476,108 0.68,109 0.768,110 0.798,111 0.814,112 3.852,113 1.07,114 -4.38,115 -4.31,116 -4.07,121 37.3,122 2,123 8,126 2,127 8,137 2,140 2,144 8,145 2,146 2,158 2,176 14,180 13,185 3,187 12,191 1,192 11,196 1,197 3,200 7,205 2,206 9,209 2,211 1,214 8,219 6,222 2,224 2,227 12,232 6,237 2,239 18,243 1,244 5,247 1,249 3,251 18,256 5,261 3,264 10,269 8,274 4,277 7,281 5976,282 31.689,283 31.689,284 31.689,285 31.689,286 31.689,287 29.406,288 40.87,289 19.592,290 32.447,291 23.474,292 23.474,293 23.474,294 23.474,295 23.474,296 19.934,297 52.552,298 9.022,299 24.421,300 5.3,301 3.422,302 2.029,303 1.424,304 1.221,305 1.108,306 4.538,312 1,313 2170,314 5.477,318 622.834,325 4.246,326 36.083,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 98,338 1048,339 4.381,340 3.581,341 6.25,342 3.974,343 2.988,344 3.846,345 0.916,346 9.366,347 2.947,348 4.206,349 3.188,350 6.159,351 3.84,352 2.875,353 3.805,354 0.916,355 9.118,356 2.773,357 4.206,358 3.188,359 6.159,360 3.84,361 2.875,362 3.805,363 0.86,364 9.118,365 2.773,366 3.773,367 2.889,368 5.741,369 3.392,370 2.422,371 3.014,372 0.86,373 7.583,374 2.34,375 3.43,376 2.729,377 5.284,378 3.304,379 2.38,380 2.467,381 0.6,382 6.713,383 2.197,384 3.43,385 2.729,386 5.284,387 3.303,388 2.38,389 2.467,390 0.4,391 6.713,392 2.197,393 3.266,394 2.437,395 4.559,396 2.827,397 1.837,398 2.385,399 0.172,400 4.72,401 1.813,402 2.917,403 1.977,404 4.316,405 2.809,406 1.824,407 2.088,408 0.172,409 4.044,410 1.794,411 2.917,412 1.96,413 4.316,414 2.667,415 1.678,416 2.088,418 4.042,419 1.652,420 2.884,421 1.932,422 3.928,423 2.498,424 1.55,425 1.962,427 3.704,428 1.464,429 2.859,430 1.772,431 3.824,432 2.488,433 1.54,434 1.958,436 3.573,437 1.452,438 2.815,439 1.652,440 3.667,441 2.44,442 1.451,443 1.84,445 3.053,446 1.431,447 2.756,448 1.513,449 3.621,450 2.428,451 1.432,452 1.763,454 3.026,455 1.425,456 2.569,457 1.505,458 3.614,459 2.33,460 1.359,461 1.495,463 2.944,464 1.314,465 2.294,466 1.313,467 3.412,468 2.21,469 1.227,470 1.273,472 2.584,473 1.205,474 21.933,475 0.477,476 0.691,477 0.015,478 47,479 1.022,480 19,481 0.413,482 28,483 0.609,484 54.625,485 1.188,486 53.667,487 0.526,488 38.498,489 0.837,490 9.177,491 0.199,492 13.305,493 0.289,494 0.122,496 0.219,501 0.882,502 1.51,503 1.003,504 1.322,505 0.756,506 1.196,507 1.181,508 1.17,509 1.07,510 1.061,511 0.694,512 1.042,513 0.914,514 1.1,515 0.963,516 1.036,517 0.74,518 1.002,519 0.961,520 1.083,521 1.058,522 1.071,523 0.856,524 1.075,525 0.758,526 1.035,527 0.98,528 1.051,529 0.829,530 1.04,531 1.122,532 0.952,533 1.064,534 0.983,535 1.155,536 1.012,537 1.082,538 0.973,539 1.124,540 1.055,541 1.157,542 1.093,543 0.836,544 1.015,545 0.972,546 1.026,547 1.076,548 1.021,549 7,550 0.198,551 4,552 2.25,553 2.249,554 1.042,555 0.73,556 0.448,557 0.254,558 0.242,559 50522,560 108280,561 1.995,562 54.9,563 8,564 32,567 2,569 14,572 1.823,573 1.89,574 4.394,575 0.04,582 139.954,583 1.372,584 3.25,585 4.643,586 5.248,587 5.452,588 5.564,589 3.795,590 4.23,591 5.496,592 4.702,593 4866.53,594 9.689,595 115190,600 680.587,601 1.264,602 5.465,603 0.146,604 0.005,605 0.067,606 0.035,607 0.037,608 0.018,609 0.014,610 0.01,611 0.006,612 0.006,613 0.342,614 0.17,615 0.75,616 0.81,617 286.502,618 -0.001,619 -0.192,620 0.044,621 -0.084,622 -0.006,623 -0.026,624 -0.106,625 -0.004,626 -0.028,627 0.001,628 0.032,629 -0.001,630 0.042,631 -0.022,632 0.045,633 -0.017,634 0.122,635 0.012,636 0.046,637 -0.047,638 -0.056,639 -0.063,640 0.024,641 -0.072,642 0.05,643 -0.039,644 -0.011,645 -0.05,646 0.071,647 -0.038,648 -0.107,649 0.021,650 -0.075,651 -0.006,652 -0.108,653 -0.031,654 -0.091,655 -0.003,656 -0.14,657 -0.065,658 -0.129,659 -0.104,660 -0.021,661 -0.089,662 -0.019,663 -0.052,664 -0.079,665 -0.039,666 1.815,667 5.628,668 0.391,669 92.083,670 0.987,671 1.134,672 3.149,673 9.913,674 0.624,675 3.892,676 4.111,677 4.317,678 4.466,679 4.615,680 4.533,681 4.466,682 4.419,683 4.394,684 4.394,685 13.749,686 0.575,687 632.98,688 3.892,689 5.38,690 6.184,691 7.008,692 7.829,693 8.659,694 9.487,695 10.32,696 11.152,697 11.987,698 3.9,700 1,701 2,707 1,715 8,720 4,722 12,739 2,741 102,743 16,744 2,745 48,747 104,748 38,749 12,750 4,751 8,752 6,756 3,757 3,763 2,770 8,772 18,773 20,777 4,782 1,784 2,785 1,786 4,793 56,794 8,795 2,796 8,802 4,808 1,809 4,829 3,839 1,841 1,849 4,853 1,855 2,857 1,859 3,864 4,868 46,875 1,876 16,877 1,878 2,881 2,893 3.9,895 1,896 1,898 2,901 24.333,902 18.883,903 10.944,904 6.779,907 2.863,908 1.361,909 0.919,910 17.739,911 10.793,912 4.078,913 4.511,914 4.973,915 5.374,916 5.786,917 5.724,918 5.748,919 5.762,920 5.769,921 5.755,922 0.933,923 65,924 17.106,926 6.811,927 0.026,929 7.562,931 33.639,933 26.45,936 2.062,937 94.833,941 635.64,942 198.806,943 41.045,945 89.828,948 198.806,949 725.468,950 41.045,951 39.417,952 37.122,953 112.773,954 78.475,955 61.892,957 635.64,959 635.64,960 239.851,961 89.828,964 470.844,965 254.623,968 95.817,969 122.324,970 21.709,972 635.64,973 130.873,974 198.806,977 635.64,978 64.627,979 140.428,980 18.011,981 106.614,982 635.64,983 130.873,984 198.806,986 0.548,987 0.325,988 0.172,989 0.092,990 19,991 10,992 0.221,993 23,995 1,996 5.798,997 401.834,999 18,1000 254.084,1005 37.496,1006 21.762,1007 13.362,1009 130.873,1010 16.415,1015 4.326,1017 60.694,1018 965.318,1019 58,1024 12.628,1026 2.981,1027 4.483,1028 0.769,1031 100.69,1032 115.626,1034 0.206,1035 0.487,1036 0.696,1037 0.787,1038 0.817,1039 0.834,1040 5.278,1041 1.824,1042 6.107,1043 4.72,1044 4.796,1045 5.198,1046 2.08,1047 6.817,1048 4.723,1049 6.408,1050 1.678,1051 7.603,1052 4.044,1053 4.111,1054 4.745,1055 0.57,1056 7.554,1057 3.992,1058 7.664,1059 1.55,1060 9.204,1061 4.042,1062 6.286,1063 7.205,1064 1.689,1065 10.615,1066 6.147,1067 8.958,1068 1.54,1069 10.87,1070 3.704,1071 6.494,1072 7.642,1073 0.674,1074 12.211,1075 6.307,1076 10.29,1077 1.451,1078 12.578,1079 3.573,1080 8.046,1081 9.532,1082 1.417,1083 14.75,1084 7.848,1085 11.648,1086 1.432,1087 14.315,1088 3.053,1089 8.689,1090 10.396,1091 0.66,1092 16.689,1093 8.45,1094 13.026,1095 1.359,1096 16.071,1097 3.026,1098 9.97,1099 12.032,1100 1.203,1101 19.04,1102 9.721,1103 2.988,1104 1.227,1105 17.842,1106 2.944,1107 10.831,1108 13.112,1109 0.611,1110 21.127,1111 10.55,1112 2.875,1113 9.366,1114 19.622,1115 2.584,1116 11.991,1117 14.618,1118 1.023,1119 23.402,1120 11.697,1121 2.875,1122 9.118,1123 21.41,1124 3.846,1125 12.959,1126 15.812,1127 0.55,1128 25.558,1129 12.638,1130 2.422,1131 9.118,1132 23.204,1133 3.805,1134 14.066,1135 17.248,1136 0.869,1137 27.801,1138 13.731,1139 2.38,1140 7.583,1141 25.002,1142 3.805,1143 15.086,1144 18.503,1145 0.487,1146 29.989,1147 14.729,1148 2.38,1149 6.713,1150 26.804,1151 3.014,1152 16.171,1153 19.9,1154 0.735,1155 32.22,1156 15.798,1157 1.837,1158 6.713,1159 28.609,1160 2.467,1161 17.217,1162 21.191,1163 0.427,1164 34.424,1165 16.824,1166 49270,1167 72344,1168 31.781,1169 63.637,1170 67.521,1171 68.703,1172 70.171,1173 66.986,1174 66.996,1175 80.613,1176 9.795,1177 174.473,1178 64.493,1179 5.347,1180 5.581,1181 6.114,1182 5.007,1183 4.988,1184 6.846,1185 1.776,1186 16.052,1187 4.947,1188 24.914,1189 1.407,1190 1.431,1191 1.462,1192 1.396,1193 1.396,1194 1.679,1195 0.204,1196 3.635,1197 1.344,1198 3.991,1199 4.03,1200 3.92,1201 3.891,1202 7.428,1203 3.892,1204 3.925,1205 3.956,1206 3.861,1207 3.845,1208 6.469,1209 3.844,1210 3.907,1211 3.934,1212 3.86,1213 3.795,1214 4.877,1215 3.808,1216 3.758,1217 3.823,1218 3.61,1219 3.622,1220 4.847,1221 3.609,1222 3.744,1223 3.8,1224 3.605,1225 3.616,1226 4.618,1227 3.603,1228 3.61,1229 3.688,1230 3.465,1231 3.424,1232 4.394,1233 3.422,1234 3.575,1235 3.649,1236 3.415,1237 3.402,1238 4.392,1239 3.395,1240 3.401,1241 3.487,1242 3.234,1243 3.219,1244 4.351,1245 3.208,1246 0.091,1247 0.075,1248 0.13,1249 0.083,1250 0.062,1251 4.381,1252 0.08,1253 3.581,1254 0.019,1255 6.25,1256 0.195,1257 3.974,1258 0.061,1259 2.988,1260 3.846,1261 0.916,1262 9.366,1263 2.947,1264 1.913,1265 1.887,1266 2.054,1267 2.035,1268 1.381,1269 2.042,1270 1.913,1271 1.887,1272 2.051,1273 2.031,1274 1.378,1275 2.039,1276 1.856,1277 1.829,1278 2.007,1279 2.004,1280 1.215,1281 1.999,1282 1.77,1283 1.707,1284 1.996,1285 1.932,1286 1.211,1287 1.957,1288 1.741,1289 1.684,1290 1.908,1291 1.9,1292 1.082,1293 1.913,1294 1.596,1295 1.519,1296 1.858,1297 1.81,1298 1.065,1299 1.83,1300 1.572,1301 1.497,1302 1.831,1303 1.774,1304 0.984,1305 1.799,1306 1.408,1307 1.325,1308 1.719,1309 1.63,1310 0.951,1311 1.664,1312 4.575,1314 5.82,1316 7.256,1318 8.786,1320 10.368,1322 7.837,1327 10.502,1328 15.771,1329 3.236,1330 10.998,1333 4.888,1340 58.642,1341 139.954,1342 331.543,1343 473.594,1344 535.303,1345 556.058,1346 567.568,1347 134.242,1348 7.93,1349 86.63,1350 86.63,1351 18,1352 12.557,1353 4.087,1354 3.459,1355 110.919,1356 387,1357 300,1358 0.132,1359 366.987,1360 659.84,1361 887.209,1362 45134,1364 32.987,1365 0.717,1366 0.622,1367 32.987,1368 28.601,1369 22.481,1370 0.468,1371 0.357,1372 16.91,1373 21.678,1374 16.403,1375 13.786,1376 22.481,1377 17.124,1378 18.082,1379 0.301,1380 0.197,1381 18.082,1382 11.835,1383 14.942,1384 0.202,1385 0.115,1386 14.942,1387 8.526,1388 11.447,1389 0.133,1390 0.066,1391 11.447,1392 5.707,1393 8.928,1394 0.089,1395 0.038,1396 8.928,1397 3.845,1398 0.225,1399 140.407,1400 0.177,1401 42.547,1402 0.318,1403 216,1404 566.624,1405 233.569,1406 541.214,1407 730.77,1408 510,1409 242,1410 515.786,1411 260.737,1412 526.325,1413 757.84,1414 492,1415 8.698}
{0 CHEMBL2312282,1 1.344,2 9.538,3 5.438,4 29.567,5 106.843,6 8.299,7 0.733,8 3.873,9 3.976,10 3.558,11 3.589,12 4.959,13 3.544,14 4.378,15 4.505,16 3.949,17 4.015,18 5.408,19 3.949,20 4.659,21 4.843,22 4.001,23 4.154,24 5.619,25 4.054,26 4.666,27 4.857,28 3.942,29 4.116,30 5.61,31 4.014,32 4.702,33 4.915,34 3.926,35 4.09,36 5.633,37 3.992,38 4.678,39 4.899,40 3.832,41 4.02,42 5.607,43 3.896,44 4.56,45 4.804,46 3.604,47 3.868,48 5.444,49 3.711,50 4.296,51 4.542,52 3.364,53 3.674,54 5.14,55 3.528,56 0.052,57 0.528,58 6.989,59 3.448,60 7.33,61 4.623,62 0.052,63 0.876,64 12.753,65 6.032,66 11.457,67 8.063,68 0.132,69 1.196,70 22.205,71 8.925,72 21.305,73 11.915,74 0.116,75 1.221,76 22.057,77 9.058,78 20.224,79 12.186,80 0.134,81 1.337,82 21.761,83 9.166,84 22.99,85 12.341,86 0.208,87 1.298,88 23.742,89 9.071,90 28.374,91 12.061,92 0.219,93 1.108,94 25.359,95 8.981,96 29.503,97 12.029,98 0.083,99 0.832,100 16.556,101 7.178,102 15.537,103 10.021,104 2,105 43,106 0.229,107 0.492,108 0.629,109 0.756,110 0.788,111 0.804,112 3.306,113 0.916,114 -6.63,115 -6.45,116 -5.98,121 53.5,123 1,129 1,144 13,145 6,146 1,159 1,172 1,176 20,180 2,185 2,187 30,192 3,197 3,200 29,206 6,211 4,214 22,219 7,224 4,227 19,232 2,237 6,239 19,244 1,249 2,251 19,264 21,277 16,281 994,282 18.154,283 18.154,284 18.154,285 18.154,286 18.154,287 15.359,288 11.514,289 10.702,290 18.361,291 14.857,292 14.857,293 14.857,294 14.857,295 14.857,296 10.736,297 15.973,298 5.113,299 15.239,300 4.082,301 2.534,302 1.723,303 0.977,304 0.791,305 0.698,306 4.023,308 1,311 1,312 1,313 563,314 2.121,317 54.013,318 221.273,322 170.985,325 1.456,326 11.882,329 0.75,330 0.83,331 0.83,332 0.5,333 0.5,334 0.83,335 1,336 0.75,337 53.333,338 248,339 4.747,340 3.447,341 6.999,342 4.3,343 3.305,344 4.763,345 0.782,346 11.975,347 3.291,348 4.17,349 3.149,350 6.185,351 3.877,352 2.895,353 3.798,354 0.522,355 9.223,356 2.84,357 4.032,358 2.89,359 5.982,360 3.532,361 2.532,362 3.69,364 8.37,365 2.532,366 3.902,367 2.636,368 5.741,369 3.445,370 2.479,371 3.373,373 7.752,374 2.404,375 3.565,376 2.532,377 5.066,378 3.152,379 2.232,380 2.879,382 6.125,383 2.002,384 3.244,385 1.923,386 4.856,387 2.744,388 1.774,389 2.516,391 5.263,392 1.682,393 3.002,394 1.532,395 4.204,396 2.509,397 1.512,398 2.243,400 3.576,401 1.503,402 2.847,403 1.442,404 4.116,405 2.347,406 1.347,407 2.021,409 3.329,410 1.347,411 2.747,412 1.347,413 3.713,414 2.247,415 1.247,416 1.87,418 3.092,419 1.247,420 2.5,421 1.247,422 3.594,423 2.158,424 1.201,425 1.5,427 2.902,428 1.127,429 2.498,430 1,431 3.414,432 2,433 1,434 1.476,436 2.275,437 1,438 2.071,439 0.957,440 3.378,441 1.691,442 0.708,443 0.86,445 1.725,446 0.692,447 1.727,448 0.597,449 3.253,450 1.497,451 0.504,452 0.637,454 1.278,455 0.5,456 1.266,457 0.391,458 2.858,459 0.837,460 -0.14,461 -0.182,463 -0.36,464 -0.117,465 1.088,466 -0.124,467 2.46,468 0.617,469 -0.248,470 -0.326,472 -0.618,473 -0.2,474 13.014,475 0.501,476 0.551,477 0.021,478 37.25,479 1.433,480 21.5,481 0.827,482 15.75,483 0.606,484 19.187,485 0.738,486 24.786,487 0.576,488 25.385,489 0.976,490 7.326,491 0.282,492 5.467,493 0.21,494 0.055,496 0.346,501 0.569,502 0.79,503 0.588,504 0.726,505 0.681,506 0.739,507 0.76,508 1.053,509 0.717,510 0.907,511 0.757,512 0.912,513 1.006,514 0.982,515 0.947,516 0.965,517 0.948,518 0.972,519 0.892,520 1.172,521 0.896,522 1.066,523 0.865,524 1.042,525 0.89,526 1.186,527 0.694,528 0.964,529 0.782,530 0.976,531 1.096,532 1.138,533 0.942,534 1.063,535 1.065,536 1.088,537 1.134,538 0.878,539 1.148,540 1.026,541 1.107,542 1.039,543 0.426,544 0.755,545 0.634,546 0.829,547 0.527,548 0.875,549 4,550 0.124,551 2.889,552 1.563,553 1.632,554 0.695,555 0.567,556 0.291,557 0.115,558 0.116,559 8029,560 20400,561 2.241,562 39.5,564 14,567 1,568 2,572 1.695,573 2.167,574 3.189,575 -0.446,582 57.801,583 1.344,584 2.892,585 3.703,586 4.45,587 4.636,588 4.729,589 2.632,590 3.854,591 4.671,592 3.353,593 1089.58,594 8.116,595 13002,600 233.329,601 1.142,602 4.66,603 0.133,604 0.01,605 0.067,606 0.036,607 0.039,608 0.017,609 0.017,610 0.011,611 0.005,612 0.006,613 0.34,614 0.67,615 0.75,616 0.362,617 124.64,618 0.11,619 0.178,620 0.027,621 0.079,622 -0.027,623 0.063,624 -0.036,625 -0.089,626 -0.03,627 -0.064,628 -0.054,629 -0.068,630 -0.102,631 0.001,632 -0.077,633 -0.035,634 -0.071,635 -0.041,636 -0.037,637 -0.179,638 -0.085,639 -0.139,640 -0.038,641 -0.106,642 -0.021,643 -0.124,644 0.008,645 -0.048,646 0.025,647 -0.038,648 -0.03,649 -0.072,650 -0.084,651 -0.119,652 -0.095,653 -0.134,654 -0.038,655 0.124,656 -0.072,657 0.004,658 -0.047,659 -0.008,660 0.069,661 0.174,662 0.152,663 0.198,664 0.151,665 0.186,666 1.153,667 1.913,668 0.962,669 20.71,670 0.991,671 1.099,672 5.404,673 29.204,674 0.743,675 3.434,676 3.784,677 4.127,678 4.466,679 4.771,680 4.905,681 5.094,682 5.263,683 5.389,684 5.407,685 5.635,686 0.7,687 356.87,688 3.434,689 4.99,690 5.872,691 6.774,692 7.676,693 8.587,694 9.498,695 10.413,696 11.328,697 12.245,698 4.7,700 1,707 1,714 4,715 13,720 3,722 22,740 1,741 43,743 23,744 4,745 30,747 47,748 23,749 20,750 7,751 13,756 5,757 8,758 1,759 1,767 2,770 2,772 21,773 2,777 1,785 1,786 1,793 17,794 2,795 1,796 3,797 1,802 2,808 0.6,828 1,829 4,833 2,859 3,865 1,868 26,876 1,877 1,880 1,892 1,901 12,902 7.76,903 5.583,904 2.629,907 4.903,908 1.608,909 1.074,910 3.739,911 12.97,912 3.761,913 4.443,914 5.127,915 5.816,916 6.493,917 6.892,918 7.397,919 7.893,920 8.331,921 8.547,922 1,923 44,924 9.574,926 4.171,927 0.026,929 7.491,931 18.775,933 16.23,936 1.991,937 51.778,941 188.338,942 148.646,943 34.551,944 39.149,948 148.646,949 227.486,950 34.551,952 2.535,953 141.079,954 2.757,955 36.827,957 188.338,958 39.149,959 188.338,960 183.197,962 39.149,964 188.338,968 37.086,969 146.112,970 39.149,972 188.338,973 34.551,974 187.795,977 188.338,978 25.455,979 123.191,980 17.888,981 55.812,982 188.338,983 34.551,984 187.795,986 0.584,987 0.349,988 0.202,989 0.119,990 24,991 9,992 0.043,993 2,994 2,995 1.16,996 3.812,997 240.094,998 0.16,999 25,1000 106.211,1005 15.57,1006 6.243,1007 2.717,1008 5.004,1009 34.551,1010 27.361,1015 3.202,1017 17.888,1018 410.684,1019 42,1027 4.72,1028 1.109,1031 42.596,1032 47.262,1034 0.248,1035 0.533,1036 0.682,1037 0.82,1038 0.854,1039 0.871,1040 4.994,1041 1.347,1042 5.855,1043 3.576,1044 4.466,1045 5.13,1046 1.018,1047 6.706,1048 4.424,1049 6.223,1050 1.247,1051 7.428,1052 3.329,1053 4.007,1054 4.945,1056 7.673,1057 3.916,1058 7.547,1059 1.201,1060 9.106,1061 3.092,1062 6.084,1063 7.443,1064 0.64,1065 10.834,1066 6.019,1067 8.912,1068 1,1069 10.847,1070 2.902,1071 6.494,1072 8.138,1074 12.681,1075 6.402,1076 10.31,1077 0.708,1078 12.631,1079 2.275,1080 8.007,1081 10.07,1082 0.405,1083 15.361,1084 7.93,1085 11.734,1086 0.504,1087 14.445,1088 1.725,1089 8.821,1090 11.198,1092 17.57,1093 8.733,1094 13.178,1095 -0.14,1096 16.28,1097 1.278,1098 10.113,1099 12.896,1100 0.256,1101 20.102,1102 10.031,1103 3.305,1104 -0.248,1105 18.133,1106 -0.36,1107 11.12,1108 14.244,1110 22.465,1111 11.034,1112 2.895,1113 11.975,1114 19.999,1115 -0.618,1116 12.328,1117 15.846,1118 0.161,1119 24.953,1120 12.244,1121 2.532,1122 9.223,1123 21.875,1124 4.763,1125 13.426,1126 17.302,1128 27.383,1129 13.34,1130 2.479,1131 8.37,1132 23.761,1133 3.798,1134 14.607,1135 18.869,1136 0.101,1137 29.861,1138 14.521,1139 2.232,1140 7.752,1141 25.655,1142 3.69,1143 15.748,1144 20.378,1146 32.318,1147 15.66,1148 1.774,1149 6.125,1150 27.555,1151 3.373,1152 16.923,1153 21.934,1154 0.063,1155 34.796,1156 16.835,1157 1.512,1158 5.263,1159 29.461,1160 2.879,1161 18.086,1162 23.468,1164 37.266,1165 17.996,1166 7359,1167 11834,1168 20.978,1169 31.961,1170 45.703,1171 46.241,1172 46.467,1173 45.692,1174 45.474,1175 63.252,1176 2.608,1177 133.768,1178 44.334,1179 5.632,1180 5.447,1181 6.685,1182 5.308,1183 5.305,1184 7.763,1185 1.565,1186 19.506,1187 5.291,1188 6.834,1189 1.523,1190 1.541,1191 1.549,1192 1.523,1193 1.516,1194 2.108,1195 0.087,1196 4.459,1197 1.478,1198 4.187,1199 4.205,1200 4.155,1201 4.155,1202 5.004,1203 4.152,1204 3.944,1205 3.975,1206 3.999,1207 3.884,1208 4.929,1209 3.877,1210 3.758,1211 3.788,1212 3.686,1213 3.707,1214 4.7,1215 3.698,1216 3.651,1217 3.705,1218 3.671,1219 3.509,1220 4.615,1221 3.516,1222 3.186,1223 3.232,1224 3.273,1225 3.107,1226 4.274,1227 3.095,1228 3.112,1229 3.151,1230 3.068,1231 3.044,1232 4.002,1233 3.034,1234 2.854,1235 2.925,1236 2.965,1237 2.74,1238 3.858,1239 2.725,1240 2.827,1241 2.863,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.158,1247 0.115,1248 0.233,1249 0.143,1250 0.11,1251 4.747,1252 0.159,1253 3.447,1254 0.026,1255 6.999,1256 0.399,1257 4.3,1258 0.11,1259 3.305,1260 4.763,1261 0.782,1262 11.975,1263 3.291,1264 2.16,1265 2.146,1266 2.221,1267 2.198,1268 1.409,1269 2.207,1270 1.909,1271 1.886,1272 2.007,1273 1.982,1274 1.212,1275 1.998,1276 1.772,1277 1.744,1278 1.902,1279 1.849,1280 0.978,1281 1.869,1282 1.469,1283 1.427,1284 1.651,1285 1.601,1286 0.89,1287 1.621,1288 1.26,1289 1.203,1290 1.417,1291 1.517,1292 0.518,1293 1.486,1294 1.187,1295 1.143,1296 1.369,1297 1.311,1298 0.457,1299 1.34,1300 0.935,1301 0.869,1302 1.181,1303 1.128,1304 0.251,1305 1.151,1306 0.886,1307 0.821,1308 1.16,1309 1.062,1310 0.218,1311 1.107,1312 4.111,1314 5.451,1315 2.398,1316 7.002,1317 4.595,1318 8.652,1319 6.605,1320 10.356,1323 6.025,1328 0.861,1329 3.315,1332 0.181,1340 30.085,1341 57.801,1342 124.363,1343 159.224,1344 191.329,1345 199.329,1346 203.329,1347 29.499,1348 8.067,1349 24.39,1350 24.39,1351 29,1352 12.756,1353 4.585,1354 3.7,1355 33.757,1356 85,1357 106,1358 0.192,1359 184.147,1360 309.23,1361 441.08,1362 37188,1363 2.3,1364 17.51,1365 0.673,1366 0.572,1367 18.01,1368 14.871,1369 12.793,1370 0.426,1371 0.305,1372 8.777,1373 12.353,1374 8.545,1375 7.037,1376 13.082,1377 9.157,1378 11.583,1379 0.269,1380 0.166,1381 11.991,1382 7.126,1383 10.315,1384 0.169,1385 0.087,1386 10.604,1387 5.337,1388 9.065,1389 0.105,1390 0.046,1391 9.231,1392 3.937,1393 7.883,1394 0.067,1395 0.025,1396 8.098,1397 2.92,1398 0.292,1399 80.841,1400 0.218,1401 24.601,1402 0.553,1403 146,1404 332.181,1405 164.961,1406 369.262,1407 517.7,1408 348,1409 177,1410 376.032,1411 190.838,1412 397.67,1413 585.37,1414 378,1415 7.519}
{0 CHEMBL2312283,1 1.209,2 9.538,3 5.259,4 27.661,5 107.079,6 7.314,7 0.733,8 3.925,9 4.039,10 3.508,11 3.614,12 4.976,13 3.564,14 4.438,15 4.587,16 3.876,17 4.034,18 5.406,19 3.965,20 4.702,21 4.893,22 3.931,23 4.179,24 5.616,25 4.078,26 4.757,27 4.971,28 3.908,29 4.159,30 5.647,31 4.047,32 4.771,33 5.001,34 3.892,35 4.12,36 5.662,37 4.012,38 4.696,39 4.922,40 3.738,41 4.032,42 5.583,43 3.908,44 4.635,45 4.896,46 3.484,47 3.902,48 5.439,49 3.744,50 4.468,51 4.746,52 3.316,53 3.746,54 5.248,55 3.583,56 0.068,57 0.584,58 9.066,59 4.101,60 9.327,61 5.607,62 0.079,63 0.979,64 16.04,65 7.107,66 12.584,67 9.788,68 0.123,69 1.297,70 22.283,71 9.582,72 20.32,73 13.306,74 0.128,75 1.383,76 24.315,77 10.362,78 22.623,79 14.483,80 0.164,81 1.448,82 25.333,83 10.161,84 25.703,85 14.211,86 0.164,87 1.351,88 23.357,89 9.243,90 25.724,91 12.878,92 0.16,93 1.257,94 23.08,95 9.292,96 24.373,97 13.062,98 0.114,99 1.026,100 19.948,101 8.495,102 20.283,103 12.037,104 2,105 43,106 0.203,107 0.483,108 0.625,109 0.742,110 0.786,111 0.801,112 3.306,113 0.909,114 -6.37,115 -6.2,116 -5.76,121 52.2,122 1,123 1,129 1,144 13,145 7,159 1,172 1,176 23,180 2,185 2,187 32,192 3,197 3,200 30,206 6,211 4,214 22,219 7,224 5,227 20,232 3,237 6,239 19,244 1,249 2,251 20,264 23,277 20,281 994,282 18.154,283 18.154,284 18.154,285 18.154,286 18.154,287 15.359,288 12.338,289 10.702,290 18.225,291 14.857,292 14.857,293 14.857,294 14.857,295 14.857,296 10.736,297 16.803,298 5.113,299 14.963,300 4.315,301 2.646,302 1.801,303 1.103,304 0.842,305 0.756,306 4.023,311 1,312 1,313 563,314 2.121,317 54.013,318 221.273,322 170.985,325 1.456,326 9.919,329 0.75,330 0.83,331 0.83,332 0.5,333 0.5,334 0.83,335 1,336 0.75,337 53,338 248,339 4.747,340 3.447,341 6.999,342 4.3,343 3.305,344 4.763,345 0.782,346 11.975,347 3.291,348 4.17,349 3.137,350 6.185,351 3.881,352 2.895,353 3.798,354 0.522,355 9.223,356 2.854,357 4.032,358 2.717,359 5.982,360 3.532,361 2.532,362 3.69,364 8.37,365 2.532,366 3.902,367 2.532,368 5.741,369 3.469,370 2.479,371 3.373,373 7.752,374 2.454,375 3.565,376 2.464,377 5.066,378 3.226,379 2.232,380 2.879,382 6.125,383 2.218,384 3.244,385 1.911,386 4.856,387 2.764,388 1.774,389 2.516,391 5.263,392 1.754,393 3.002,394 1.522,395 4.204,396 2.511,397 1.512,398 2.243,400 3.576,401 1.51,402 2.847,403 1.401,404 4.116,405 2.347,406 1.347,407 2.021,409 3.329,410 1.347,411 2.747,412 1.347,413 3.713,414 2.247,415 1.247,416 1.87,418 3.092,419 1.247,420 2.5,421 1.247,422 3.594,423 2.175,424 1.201,425 1.5,427 2.902,428 1.168,429 2.498,430 1,431 3.414,432 2,433 1,434 1.476,436 2.275,437 1,438 2.071,439 0.949,440 3.378,441 1.696,442 0.708,443 0.86,445 1.725,446 0.698,447 1.727,448 0.593,449 3.253,450 1.498,451 0.504,452 0.637,454 1.278,455 0.5,456 1.266,457 0.12,458 2.858,459 0.86,460 -0.14,461 -0.182,463 -0.36,464 -0.14,465 1.088,466 -0.129,467 2.46,468 0.742,469 -0.248,470 -0.326,472 -0.618,473 -0.246,474 12.8,475 0.492,476 0.551,477 0.021,478 37,479 1.423,480 21.5,481 0.827,482 15.5,483 0.596,484 19.283,485 0.742,486 25,487 0.543,488 25.29,489 0.973,490 7.294,491 0.281,492 5.499,493 0.212,494 0.039,496 0.352,501 0.71,502 0.823,503 0.788,504 0.817,505 0.887,506 0.809,507 0.949,508 1.009,509 0.883,510 0.931,511 0.927,512 0.909,513 1.103,514 1.028,515 1.018,516 1.008,517 1.055,518 1.008,519 0.995,520 1.153,521 0.973,522 1.053,523 0.937,524 1.019,525 1.388,526 1.122,527 0.959,528 0.964,529 1.031,530 0.943,531 1.649,532 1.174,533 1.16,534 1.086,535 1.319,536 1.094,537 1.461,538 0.916,539 1.109,540 0.962,541 1.138,542 1.006,543 0.844,544 0.682,545 0.867,546 0.785,547 0.837,548 0.819,549 4,550 0.124,551 2.889,552 1.563,553 1.632,554 0.695,555 0.567,556 0.291,557 0.115,558 0.116,559 8029,560 16530,561 2.241,562 43.5,563 3,564 14,567 1,568 2,572 1.695,573 2.167,574 3.189,575 -0.484,582 55.606,583 1.209,584 2.877,585 3.722,586 4.42,587 4.681,588 4.768,589 2.632,590 3.854,591 4.671,592 3.353,593 1089.58,594 8.116,595 13002,600 254.084,601 1.142,602 4.66,603 0.133,604 0.01,605 0.067,606 0.036,607 0.039,608 0.017,609 0.017,610 0.011,611 0.005,612 0.006,613 0.34,614 0.67,615 0.75,616 0.362,617 124.64,618 0.235,619 0.165,620 0.064,621 0.083,622 -0.007,623 0.067,624 -0.011,625 -0.029,626 0.005,627 -0.008,628 -0.067,629 -0.002,630 -0.094,631 -0.041,632 -0.083,633 -0.062,634 -0.114,635 -0.07,636 0.06,637 -0.165,638 -0.01,639 -0.093,640 0.035,641 -0.063,642 0.015,643 -0.081,644 0.035,645 -0.016,646 0.106,647 0.006,648 -0.174,649 -0.122,650 -0.172,651 -0.149,652 -0.141,653 -0.158,654 -0.215,655 0.102,656 -0.091,657 0.019,658 -0.105,659 -0.02,660 -0.032,661 0.273,662 0.158,663 0.242,664 0.134,665 0.217,666 1.094,667 1.753,668 0.962,669 20.71,670 0.982,671 1.103,672 5.136,673 26.38,674 0.714,675 3.434,676 3.784,677 4.127,678 4.466,679 4.771,680 4.905,681 5.094,682 5.263,683 5.389,684 5.407,685 5.635,686 0.669,687 336.46,688 3.434,689 4.99,690 5.872,691 6.774,692 7.676,693 8.587,694 9.498,695 10.413,696 11.328,697 12.245,698 4.3,700 1,707 1,714 4,715 13,720 3,722 22,741 46,743 23,744 4,745 30,747 50,748 24,749 20,750 7,751 13,756 5,757 8,759 1,763 1,767 2,770 2,772 21,773 3,777 1,785 1,786 1,793 20,794 2,795 1,796 2,802 2,808 0.6,828 1,829 4,833 2,859 3,864 1,868 26,876 1,877 1,880 1,901 12,902 8.617,903 5.583,904 2.843,907 4.903,908 1.608,909 1.069,910 3.582,911 12.97,912 3.761,913 4.443,914 5.127,915 5.816,916 6.493,917 6.892,918 7.397,919 7.893,920 8.331,921 8.547,922 1,923 44,924 9.594,926 4.154,927 0.026,929 7.41,931 18.989,933 16.395,936 1.91,937 49.667,941 223.651,942 157.156,943 34.551,948 157.156,949 223.651,950 34.551,951 8.825,952 2.535,953 141.079,954 2.757,955 36.512,957 223.651,959 223.651,960 191.708,964 223.651,968 45.911,969 145.797,972 223.651,973 34.551,974 157.156,977 223.651,978 25.14,979 132.016,980 17.888,981 16.663,982 223.651,983 34.551,984 157.156,986 0.584,987 0.349,988 0.202,989 0.119,990 24,991 9,992 0.04,993 2,994 2,995 1.16,996 3.812,997 240.094,998 0.16,999 25,1000 106.211,1005 15.306,1006 6.085,1007 2.633,1008 5.081,1009 34.551,1010 28.227,1015 3.84,1017 17.888,1018 415.358,1019 42,1027 4.753,1028 1.142,1031 45.156,1032 50.733,1034 0.219,1035 0.521,1036 0.674,1037 0.8,1038 0.847,1039 0.863,1040 4.994,1041 1.347,1042 5.855,1043 3.576,1044 4.466,1045 5.13,1046 1.018,1047 6.706,1048 4.452,1049 6.223,1050 1.247,1051 7.428,1052 3.329,1053 4.007,1054 4.945,1056 7.673,1057 3.985,1058 7.547,1059 1.201,1060 9.106,1061 3.092,1062 6.084,1063 7.443,1064 0.64,1065 10.834,1066 6.058,1067 8.912,1068 1,1069 10.847,1070 2.902,1071 6.494,1072 8.138,1074 12.681,1075 6.458,1076 10.31,1077 0.708,1078 12.631,1079 2.275,1080 8.007,1081 10.07,1082 0.405,1083 15.361,1084 7.968,1085 11.734,1086 0.504,1087 14.445,1088 1.725,1089 8.821,1090 11.198,1092 17.57,1093 8.774,1094 13.178,1095 -0.14,1096 16.28,1097 1.278,1098 10.113,1099 12.896,1100 0.256,1101 20.102,1102 10.063,1103 3.305,1104 -0.248,1105 18.133,1106 -0.36,1107 11.12,1108 14.244,1110 22.465,1111 11.064,1112 2.895,1113 11.975,1114 19.999,1115 -0.618,1116 12.328,1117 15.846,1118 0.161,1119 24.953,1120 12.269,1121 2.532,1122 9.223,1123 21.875,1124 4.763,1125 13.426,1126 17.302,1128 27.383,1129 13.361,1130 2.479,1131 8.37,1132 23.761,1133 3.798,1134 14.607,1135 18.869,1136 0.101,1137 29.861,1138 14.539,1139 2.232,1140 7.752,1141 25.655,1142 3.69,1143 15.748,1144 20.378,1146 32.318,1147 15.676,1148 1.774,1149 6.125,1150 27.555,1151 3.373,1152 16.923,1153 21.934,1154 0.063,1155 34.796,1156 16.849,1157 1.512,1158 5.263,1159 29.461,1160 2.879,1161 18.086,1162 23.468,1164 37.266,1165 18.008,1166 7359,1167 10664,1168 20.978,1169 32.864,1170 45.703,1171 45.658,1172 46.467,1173 45.467,1174 45.474,1175 63.252,1176 2.608,1177 133.768,1178 45.149,1179 5.632,1180 5.447,1181 6.685,1182 5.306,1183 5.305,1184 7.763,1185 1.565,1186 19.506,1187 5.291,1188 6.834,1189 1.523,1190 1.522,1191 1.549,1192 1.516,1193 1.516,1194 2.108,1195 0.087,1196 4.459,1197 1.505,1198 4.187,1199 4.205,1200 4.153,1201 4.155,1202 4.995,1203 4.152,1204 3.957,1205 3.991,1206 3.891,1207 3.895,1208 4.783,1209 3.889,1210 3.758,1211 3.788,1212 3.686,1213 3.707,1214 4.628,1215 3.698,1216 3.671,1217 3.731,1218 3.592,1219 3.522,1220 4.615,1221 3.531,1222 3.206,1223 3.262,1224 3.094,1225 3.12,1226 4.004,1227 3.108,1228 3.162,1229 3.216,1230 3.049,1231 3.076,1232 3.903,1233 3.064,1234 3.035,1235 3.101,1236 2.876,1237 2.897,1238 3.819,1239 2.881,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.158,1247 0.115,1248 0.233,1249 0.143,1250 0.11,1251 4.747,1252 0.159,1253 3.447,1254 0.026,1255 6.999,1256 0.399,1257 4.3,1258 0.11,1259 3.305,1260 4.763,1261 0.782,1262 11.975,1263 3.291,1264 2.16,1265 2.146,1266 2.221,1267 2.198,1268 1.409,1269 2.207,1270 1.936,1271 1.909,1272 2.059,1273 2.015,1274 1.235,1275 2.031,1276 1.772,1277 1.744,1278 1.902,1279 1.849,1280 0.978,1281 1.869,1282 1.495,1283 1.448,1284 1.71,1285 1.636,1286 0.966,1287 1.665,1288 1.317,1289 1.258,1290 1.514,1291 1.554,1292 0.618,1293 1.529,1294 1.19,1295 1.147,1296 1.398,1297 1.311,1298 0.478,1299 1.345,1300 1.044,1301 0.961,1302 1.341,1303 1.301,1304 0.438,1305 1.334,1306 0.918,1307 0.832,1308 1.181,1309 1.128,1310 0.218,1311 1.15,1312 4.111,1314 5.451,1315 2.398,1316 7.002,1317 4.595,1318 8.652,1319 6.605,1320 10.356,1322 2.121,1328 0.904,1329 3.358,1332 0.239,1340 30.784,1341 55.606,1342 132.363,1343 171.223,1344 203.329,1345 215.329,1346 219.329,1347 28.432,1348 8.067,1349 24.39,1350 24.39,1351 29,1352 12.756,1353 4.585,1354 3.7,1355 33.757,1356 85,1357 106,1358 0.192,1359 185.407,1360 311.32,1361 444.153,1362 37188,1364 17.51,1365 0.673,1366 0.567,1367 17.51,1368 14.737,1369 12.793,1370 0.426,1371 0.303,1372 9.058,1373 12.662,1374 8.789,1375 7.295,1376 12.793,1377 9.09,1378 11.583,1379 0.269,1380 0.164,1381 11.583,1382 7.049,1383 10.315,1384 0.169,1385 0.087,1386 10.315,1387 5.292,1388 9.065,1389 0.105,1390 0.046,1391 9.065,1392 3.914,1393 7.883,1394 0.067,1395 0.025,1396 7.883,1397 2.894,1398 0.292,1399 77.665,1400 0.218,1401 24.601,1402 0.553,1403 146,1404 305.978,1405 149.441,1406 316.026,1407 458.9,1408 300,1409 177,1410 359.17,1411 181.08,1412 372.879,1413 548.29,1414 354,1415 7}
{0 CHEMBL2312284,1 1.215,2 8.8,3 4.773,4 22.783,5 102.038,6 7.498,7 0.759,8 3.866,9 3.977,10 3.473,11 3.565,12 4.934,13 3.52,14 4.369,15 4.506,16 3.832,17 3.983,18 5.36,19 3.917,20 4.647,21 4.845,22 3.881,23 4.116,24 5.553,25 4.018,26 4.657,27 4.858,28 3.875,29 4.091,30 5.569,31 3.991,32 4.699,33 4.915,34 3.867,35 4.076,36 5.624,37 3.976,38 4.669,39 4.901,40 3.682,41 3.988,42 5.558,43 3.861,44 4.543,45 4.807,46 3.395,47 3.817,48 5.338,49 3.658,50 4.291,51 4.543,52 3.259,53 3.652,54 5.116,55 3.503,56 0.064,57 0.54,58 8.113,59 3.7,60 8.725,61 5.009,62 0.069,63 0.897,64 14.142,65 6.345,66 11.856,67 8.627,68 0.119,69 1.224,70 20.896,71 8.974,72 18.949,73 12.379,74 0.112,75 1.243,76 21.23,77 9.096,78 19.223,79 12.577,80 0.149,81 1.345,82 22.767,83 9.195,84 24.072,85 12.664,86 0.165,87 1.32,88 22.673,89 8.987,90 26.53,91 12.379,92 0.139,93 1.139,94 21.092,95 8.689,96 22.433,97 12.153,98 0.077,99 0.837,100 16.022,101 7.133,102 15.457,103 10.054,105 41,106 0.206,107 0.451,108 0.571,109 0.718,110 0.788,111 0.804,112 3.269,113 0.898,114 -6.15,115 -6,116 -5.58,121 53.5,123 1,129 1,144 14,145 6,159 1,172 1,176 22,180 2,185 2,187 30,192 3,197 3,200 28,206 6,211 4,214 21,219 7,224 5,227 20,232 3,237 5,239 18,249 2,251 20,264 22,277 18,281 897,282 17.706,283 17.706,284 17.706,285 17.706,286 17.706,287 14.936,288 9.912,289 10.616,290 17.777,291 14.391,292 14.391,293 14.391,294 14.391,295 14.391,296 10.332,297 15.332,298 5.076,299 14.496,300 4.212,301 2.776,302 2.069,303 1.201,304 0.791,305 0.698,306 3.989,311 1,312 1,313 502,314 2,317 49.93,318 207.645,322 159.648,325 1.296,326 9.17,328 1,329 0.75,330 0.83,331 1,332 0.6,333 0.5,334 1,335 1,336 0.81,337 51,338 220,339 4.747,340 3.446,341 6.999,342 4.3,343 3.304,344 4.763,345 0.782,346 11.975,347 3.291,348 4.139,349 3.13,350 6.181,351 3.866,352 2.881,353 3.798,354 0.522,355 9.21,356 2.836,357 4.032,358 2.682,359 5.982,360 3.532,361 2.532,362 3.588,364 8.37,365 2.532,366 3.85,367 2.532,368 5.739,369 3.409,370 2.42,371 3.336,373 7.739,374 2.393,375 3.337,376 1.977,377 4.91,378 2.911,379 1.921,380 2.637,382 5.443,383 1.901,384 3.045,385 1.735,386 4.326,387 2.575,388 1.583,389 2.28,391 4.002,392 1.57,393 2.971,394 1.506,395 4.116,396 2.471,397 1.476,398 2.151,400 3.329,401 1.468,402 2.847,403 1.347,404 3.728,405 2.347,406 1.347,407 2.021,409 3.16,410 1.347,411 2.747,412 1.247,413 3.594,414 2.247,415 1.247,416 1.87,418 2.902,419 1.247,420 2.5,421 1.163,422 3.514,423 2.036,424 1.054,425 1.5,427 2.589,428 1.033,429 2.381,430 1,431 3.328,432 2,433 1,434 1.339,436 2.136,437 1,438 2.058,439 0.916,440 3.252,441 1.669,442 0.682,443 0.834,445 1.677,446 0.673,447 1.725,448 0.589,449 3.247,450 1.494,451 0.501,452 0.636,454 1.271,455 0.497,456 1.264,457 -0.12,458 2.855,459 0.825,460 -0.171,461 -0.237,463 -0.494,464 -0.17,465 1.055,466 -0.409,467 2.404,468 0.555,469 -0.445,470 -0.668,472 -1.091,473 -0.445,474 12.3,475 0.492,476 0.445,477 0.018,478 36.5,479 1.46,480 21.5,481 0.86,482 15,483 0.6,484 17.233,485 0.689,486 23.7,487 0.551,488 24.521,489 0.981,490 7.253,491 0.29,492 5.146,493 0.206,496 0.325,501 0.7,502 0.794,503 0.762,504 0.787,505 0.834,506 0.78,507 0.978,508 1.055,509 0.932,510 0.982,511 1.013,512 0.96,513 1.086,514 0.978,515 0.973,516 0.956,517 1.009,518 0.957,519 1.023,520 1.157,521 0.962,522 1.044,523 0.895,524 1.008,525 1.438,526 1.172,527 1.009,528 1.013,529 1.07,530 0.991,531 1.662,532 1.12,533 1.171,534 1.063,535 1.356,536 1.083,537 1.245,538 0.862,539 1.064,540 0.938,541 1.085,542 0.98,543 0.563,544 0.753,545 0.888,546 0.88,547 0.673,548 0.898,549 3,550 0.033,551 2.444,552 1.5,553 1.441,554 0.584,555 0.501,556 0.226,557 0.083,558 0.054,559 7198,560 15325,561 2.277,562 41.9,564 15,567 1,568 2,572 1.686,573 2.239,574 3.103,575 -0.475,582 52.229,583 1.215,584 2.65,585 3.358,586 4.225,587 4.636,588 4.729,589 2.477,590 3.894,591 4.616,592 3.251,593 975.356,594 8.011,595 11303.9,597 1,600 233.329,601 0.904,602 4.616,603 0.103,604 0.004,605 0.06,606 0.036,607 0.035,608 0.015,609 0.016,610 0.009,611 0.004,612 0.003,613 0.284,614 0.67,615 0.75,617 117.669,618 0.234,619 0.175,620 0.063,621 0.086,622 0.022,623 0.069,624 -0.051,625 -0.092,626 -0.074,627 -0.086,628 -0.165,629 -0.082,630 -0.074,631 0.004,632 -0.031,633 -0.008,634 -0.079,635 -0.015,636 0.053,637 -0.169,638 -0.01,639 -0.096,640 0.059,641 -0.064,642 -0.027,643 -0.127,644 -0.027,645 -0.074,646 0.071,647 -0.055,648 -0.208,649 -0.065,650 -0.17,651 -0.114,652 -0.172,653 -0.135,654 -0.161,655 0.138,656 -0.031,657 0.07,658 -0.078,659 0.036,660 0.019,661 0.164,662 0.116,663 0.155,664 0.171,665 0.144,666 1.089,667 1.731,668 1,669 18.906,670 0.983,671 1.1,672 4.925,673 24.255,674 0.723,675 3.401,676 3.738,677 4.094,678 4.443,679 4.736,680 4.86,681 5.069,682 5.231,683 5.342,684 5.352,685 5.343,686 0.68,687 322.43,688 3.401,689 4.949,690 5.832,691 6.732,692 7.636,693 8.547,694 9.459,695 10.374,696 11.29,697 12.209,698 4.7,700 1,707 1,714 4,715 14,720 2,722 22,741 43,743 23,744 4,745 29,747 47,748 23,749 20,750 6,751 14,756 5,757 8,759 1,767 2,770 2,772 21,773 2,777 1,785 1,786 1,793 18,794 2,795 1,796 2,802 2,808 0.6,828 1,829 4,833 2,859 3,868 25,876 1,877 1,880 1,901 11.167,902 7.7,903 5.417,904 2.649,907 4.873,908 1.612,909 1.081,910 3.36,911 12.836,912 3.738,913 4.407,914 5.1,915 5.796,916 6.467,917 6.862,918 7.389,919 7.88,920 8.316,921 8.527,922 0.833,923 42,924 9.219,926 4.005,927 0.026,929 7.42,931 18.214,933 15.752,936 1.92,937 48,940 1,941 200.109,942 154.622,943 34.551,948 154.622,949 200.109,950 34.551,952 2.535,953 150.556,954 2.757,955 33.326,957 200.109,959 200.109,960 189.173,964 200.109,968 37.086,969 152.087,972 200.109,973 34.551,974 154.622,977 200.109,978 21.954,979 132.667,980 17.888,981 16.663,982 200.109,983 34.551,984 154.622,986 0.576,987 0.349,988 0.209,989 0.12,990 23,991 8,992 0.043,993 2,994 2,995 1.16,996 3.748,997 228.488,998 0.16,999 25,1000 100.096,1005 14.388,1006 5.839,1007 2.428,1008 5.079,1009 34.551,1010 30.015,1015 2.547,1017 17.888,1018 389.282,1019 41,1027 4.731,1028 1.141,1031 42.272,1032 47.318,1034 0.224,1035 0.488,1036 0.619,1037 0.779,1038 0.854,1039 0.871,1040 4.959,1041 1.347,1042 5.802,1043 3.329,1044 4.419,1045 5.094,1046 1.018,1047 6.653,1048 4.404,1049 6.178,1050 1.247,1051 7.371,1052 3.16,1053 3.892,1054 4.844,1056 7.621,1057 3.867,1058 7.496,1059 1.054,1060 9.048,1061 2.902,1062 6.028,1063 7.4,1064 0.64,1065 10.802,1066 6,1067 8.856,1068 1,1069 10.794,1070 2.589,1071 6.415,1072 8.071,1074 12.663,1075 6.376,1076 10.254,1077 0.682,1078 12.584,1079 2.136,1080 7.957,1081 10.031,1082 0.405,1083 15.347,1084 7.916,1085 11.679,1086 0.501,1087 14.405,1088 1.677,1089 8.768,1090 11.155,1092 17.563,1093 8.719,1094 13.125,1095 -0.171,1096 16.248,1097 1.271,1098 10.074,1099 12.865,1100 0.256,1101 20.097,1102 10.022,1103 3.304,1104 -0.445,1105 18.106,1106 -0.494,1107 11.083,1108 14.215,1110 22.462,1111 11.025,1112 2.881,1113 11.975,1114 19.977,1115 -1.091,1116 12.299,1117 15.824,1118 0.161,1119 24.951,1120 12.237,1121 2.532,1122 9.21,1123 21.858,1124 4.763,1125 13.4,1126 17.283,1128 27.381,1129 13.334,1130 2.42,1131 8.37,1132 23.748,1133 3.798,1134 14.585,1135 18.854,1136 0.101,1137 29.859,1138 14.516,1139 1.921,1140 7.739,1141 25.644,1142 3.588,1143 15.729,1144 20.365,1146 32.318,1147 15.656,1148 1.583,1149 5.443,1150 27.546,1151 3.336,1152 16.907,1153 21.923,1154 0.063,1155 34.795,1156 16.831,1157 1.476,1158 4.002,1159 29.454,1160 2.637,1161 18.071,1162 23.459,1164 37.266,1165 17.992,1166 6550,1167 9652,1168 20.572,1169 31.103,1170 44,1171 44.157,1172 44.37,1173 43.894,1174 43.898,1175 61.508,1176 2.608,1177 127.601,1178 43.573,1179 5.631,1180 5.446,1181 6.801,1182 5.305,1183 5.304,1184 7.763,1185 1.565,1186 19.506,1187 5.291,1189 1.517,1190 1.523,1191 1.53,1192 1.514,1193 1.514,1194 2.121,1195 0.09,1196 4.4,1197 1.503,1198 4.187,1199 4.205,1200 4.153,1201 4.155,1202 4.995,1203 4.152,1204 3.94,1205 3.976,1206 3.871,1207 3.871,1208 4.79,1209 3.866,1210 3.758,1211 3.788,1212 3.686,1213 3.707,1214 4.632,1215 3.698,1216 3.647,1217 3.706,1218 3.568,1219 3.499,1220 4.615,1221 3.508,1222 3.185,1223 3.232,1224 3.077,1225 3.106,1226 4.003,1227 3.093,1228 3.11,1229 3.152,1230 3.02,1231 3.035,1232 3.872,1233 3.027,1234 2.854,1235 2.925,1236 2.694,1237 2.735,1238 3.674,1239 2.715,1240 2.806,1241 2.867,1242 2.687,1243 2.69,1244 3.644,1245 2.682,1246 0.164,1247 0.119,1248 0.241,1249 0.148,1250 0.114,1251 4.747,1252 0.164,1253 3.446,1254 0.027,1255 6.999,1256 0.413,1257 4.3,1258 0.113,1259 3.304,1260 4.763,1261 0.782,1262 11.975,1263 3.291,1264 2.16,1265 2.146,1266 2.221,1267 2.198,1268 1.409,1269 2.207,1270 1.914,1271 1.885,1272 2.039,1273 1.996,1274 1.212,1275 2.012,1276 1.772,1277 1.744,1278 1.902,1279 1.849,1280 0.978,1281 1.869,1282 1.471,1283 1.427,1284 1.669,1285 1.606,1286 0.896,1287 1.629,1288 1.264,1289 1.202,1290 1.426,1291 1.527,1292 0.523,1293 1.494,1294 1.187,1295 1.143,1296 1.375,1297 1.311,1298 0.458,1299 1.34,1300 0.936,1301 0.869,1302 1.181,1303 1.128,1304 0.268,1305 1.151,1306 0.886,1307 0.821,1308 1.169,1309 1.062,1310 0.218,1311 1.107,1312 4.078,1314 5.407,1315 2.398,1316 6.956,1317 4.595,1318 8.606,1319 6.605,1320 10.312,1328 0.905,1329 3.339,1332 0.244,1340 29.257,1341 52.229,1342 113.969,1343 144.375,1344 181.678,1345 199.329,1346 203.329,1347 26.264,1348 7.963,1349 24.39,1350 24.39,1351 29,1352 12.719,1353 4.585,1354 3.7,1355 31.889,1356 77,1357 89,1358 0.199,1359 175.815,1360 294.02,1361 420.748,1362 32659,1364 16.64,1365 0.666,1366 0.553,1367 16.64,1368 13.815,1369 12.399,1370 0.428,1371 0.299,1372 8.647,1373 12.268,1374 8.452,1375 6.989,1376 12.399,1377 8.679,1378 10.961,1379 0.267,1380 0.16,1381 10.961,1382 6.549,1383 9.905,1384 0.168,1385 0.085,1386 9.905,1387 5.015,1388 8.913,1389 0.106,1390 0.045,1391 8.913,1392 3.801,1393 7.659,1394 0.068,1395 0.024,1396 7.659,1397 2.754,1398 0.301,1399 75.302,1400 0.22,1401 23.705,1402 0.582,1403 140,1404 297.978,1405 143.441,1406 307.17,1407 446.35,1408 292,1409 170,1410 349.17,1411 174.08,1412 361.159,1413 532.11,1414 344,1415 7.52}
{0 CHEMBL2312285,1 1.344,2 8.846,3 4.506,4 20.302,5 103.732,6 7.692,7 0.733,8 3.9,9 4.004,10 3.514,11 3.572,12 5.022,13 3.538,14 4.391,15 4.52,16 3.886,17 3.993,18 5.441,19 3.94,20 4.679,21 4.863,22 3.96,23 4.133,24 5.671,25 4.053,26 4.712,27 4.897,28 3.964,29 4.117,30 5.739,31 4.036,32 4.768,33 4.975,34 3.936,35 4.104,36 5.795,37 4.017,38 4.723,39 4.963,40 3.718,41 4.012,42 5.618,43 3.886,44 4.562,45 4.816,46 3.478,47 3.829,48 5.412,49 3.687,50 4.337,51 4.568,52 3.44,53 3.679,54 5.312,55 3.571,56 0.069,57 0.563,58 8.143,59 3.856,60 9.764,61 4.886,62 0.052,63 0.925,64 13.854,65 6.515,66 11.01,67 8.493,68 0.128,69 1.256,70 21.1,71 9.143,72 22.826,73 12.101,74 0.191,75 1.298,76 22.124,77 9.421,78 29.2,79 12.382,80 0.255,81 1.425,82 24.443,83 9.647,84 39.231,85 12.68,86 0.177,87 1.394,88 24.167,89 9.548,90 28.898,91 13.108,92 0.151,93 1.145,94 21.382,95 8.714,96 23.718,97 12.039,98 0.092,99 0.859,100 16.616,101 7.238,102 17.557,103 9.83,104 2,105 43,106 0.227,107 0.505,108 0.626,109 0.765,110 0.824,111 0.84,112 3.306,113 0.882,114 -5.59,115 -5.46,116 -5.09,121 52.3,123 1,129 1,144 13,145 6,146 1,159 1,172 1,176 20,180 2,185 4,187 28,192 3,197 4,200 26,206 5,210 1,211 6,214 21,219 7,222 1,224 5,227 19,232 3,237 6,239 16,249 4,251 16,261 4,264 17,274 5,277 16,281 970,282 18.206,283 18.206,284 18.206,285 18.206,286 18.206,287 15.383,288 10.584,289 10.774,290 18.31,291 14.858,292 14.858,293 14.858,294 14.858,295 14.858,296 10.719,297 15.064,298 5.121,299 15.033,300 4.116,301 2.477,302 1.764,303 0.943,304 0.591,305 0.5,306 4.023,311 1,312 1,313 521,314 2.121,317 52.086,318 218.541,322 167.723,325 1.278,326 15.391,328 1,329 0.75,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.84,337 54,338 230,339 4.747,340 3.464,341 6.999,342 4.302,343 3.306,344 4.763,345 0.782,346 11.977,347 3.292,348 4.288,349 3.225,350 6.459,351 3.977,352 2.996,353 3.848,354 0.522,355 9.989,356 2.933,357 4.032,358 2.788,359 5.982,360 3.532,361 2.532,362 3.798,364 8.37,365 2.532,366 3.917,367 2.532,368 5.788,369 3.486,370 2.507,371 3.372,373 7.917,374 2.454,375 3.382,376 2.236,377 5.151,378 3.023,379 2.045,380 2.665,382 6.041,383 1.997,384 3.06,385 1.838,386 4.695,387 2.595,388 1.609,389 2.286,391 4.655,392 1.585,393 2.973,394 1.522,395 4.116,396 2.474,397 1.48,398 2.152,400 3.329,401 1.47,402 2.857,403 1.502,404 3.904,405 2.392,406 1.414,407 2.021,409 3.211,410 1.375,411 2.847,412 1.347,413 3.704,414 2.347,415 1.347,416 2.004,418 3.054,419 1.347,420 2.747,421 1.247,422 3.594,423 2.247,424 1.247,425 1.87,427 2.902,428 1.247,429 2.397,430 1.149,431 3.58,432 2.031,433 1.048,434 1.357,436 2.667,437 1.029,438 2.067,439 0.92,440 3.364,441 1.682,442 0.695,443 0.851,445 1.696,446 0.685,447 1.727,448 0.591,449 3.253,450 1.496,451 0.503,452 0.636,454 1.275,455 0.499,456 1.266,457 0.171,458 2.857,459 0.846,460 -0.141,461 -0.184,463 -0.367,464 -0.138,465 1.066,466 -0.128,467 2.458,468 0.688,469 -0.254,470 -0.33,472 -0.628,473 -0.238,474 12.633,475 0.486,476 0.534,477 0.021,478 37.75,479 1.452,480 22,481 0.846,482 15.75,483 0.606,484 18.374,485 0.707,486 25.167,487 0.572,488 26.572,489 1.022,490 7.509,491 0.289,492 5.301,493 0.204,494 0.026,496 0.356,501 0.849,502 0.779,503 0.763,504 0.766,505 0.933,506 0.761,507 0.721,508 1.066,509 0.877,510 0.99,511 0.669,512 0.952,513 0.936,514 0.995,515 0.949,516 0.969,517 0.873,518 0.958,519 1.046,520 1.165,521 0.994,522 1.059,523 1.087,524 1.032,525 1.271,526 1.146,527 1.068,528 1,529 1.142,530 1.01,531 0.882,532 1.08,533 1.103,534 1.03,535 0.627,536 1.061,537 0.799,538 0.873,539 1.009,540 0.945,541 0.673,542 0.978,543 0.799,544 0.782,545 0.804,546 0.891,547 0.85,548 0.858,549 3.5,550 0.057,551 2.889,552 1.938,553 1.587,554 0.664,555 0.501,556 0.288,557 0.202,558 0.107,559 7845,560 18318,561 2.241,562 40.9,564 14,567 2,568 2,572 1.696,573 2.167,574 3.11,575 0.137,582 59.114,583 1.344,584 2.983,585 3.695,586 4.516,587 4.869,588 4.959,589 2.449,590 4.162,591 4.674,592 3.269,593 1062.55,594 8.128,595 12711.6,597 1,600 240.215,601 1.142,602 4.66,603 0.117,604 0.005,605 0.067,606 0.043,607 0.036,608 0.016,609 0.015,610 0.011,611 0.008,612 0.005,613 0.323,614 0.67,615 0.75,616 0.362,617 124.065,618 0.021,619 0.209,620 0.037,621 0.129,622 -0.103,623 0.089,624 -0.028,625 -0.088,626 -0.053,627 -0.079,628 -0.044,629 -0.069,630 -0.053,631 -0.009,632 -0.026,633 -0.019,634 -0.037,635 -0.017,636 0.054,637 -0.176,638 -0.049,639 -0.11,640 -0.016,641 -0.098,642 -0.037,643 -0.099,644 -0.085,645 -0.061,646 -0.034,647 -0.078,648 -0.091,649 -0.027,650 -0.108,651 -0.071,652 -0.046,653 -0.083,654 -0.038,655 0.12,656 0.014,657 0.058,658 0.002,659 0.049,660 0.084,661 0.134,662 0.203,663 0.133,664 0.165,665 0.176,666 1.357,667 4.18,668 0.962,669 19.716,670 0.991,671 1.103,672 4.357,673 18.985,674 0.717,675 3.434,676 3.784,677 4.143,678 4.489,679 4.771,680 4.898,681 5.106,682 5.273,683 5.398,684 5.421,685 5.461,686 0.681,687 338.43,688 3.434,689 4.99,690 5.878,691 6.783,692 7.689,693 8.604,694 9.517,695 10.435,696 11.352,697 12.272,698 4.5,700 1,707 1,714 4,715 13,720 3,722 22,738 1,741 44,743 23,744 4,745 30,747 48,748 23,749 20,750 7,751 13,756 5,757 8,759 1,767 2,770 2,772 21,773 2,777 1,785 1,786 1,790 1,793 18,794 3,795 2,796 3,802 2,808 0.6,809 1,828 1,829 4,833 2,859 3,868 26,875 1,876 1,877 1,880 1,893 2.3,895 1,901 12,902 7.817,903 5.611,904 2.65,907 4.946,908 1.613,909 1.048,910 3.561,911 13.013,912 3.761,913 4.443,914 5.136,915 5.825,916 6.487,917 6.886,918 7.402,919 7.894,920 8.334,921 8.556,922 0.833,923 45,924 9.597,926 4.218,927 0.026,929 7.564,931 18.69,933 16.168,936 2.064,937 53.667,940 1,941 188.338,942 145.146,943 34.551,945 42.683,948 145.146,949 231.021,950 34.551,952 2.535,953 141.079,954 45.44,955 33.326,957 188.338,959 188.338,960 179.697,961 42.683,964 188.338,965 42.683,968 37.086,969 142.611,972 188.338,973 77.235,974 145.146,977 188.338,978 21.954,979 123.191,980 17.888,981 59.346,982 188.338,983 77.235,984 145.146,986 0.582,987 0.356,988 0.211,989 0.118,990 24,991 9,992 0.042,993 2,994 2,995 1.16,996 3.78,997 242.033,998 0.16,999 25,1000 110.211,1005 15.27,1006 6.064,1007 2.534,1008 4.86,1009 77.235,1010 26.598,1015 2.379,1017 60.572,1018 410.718,1019 42,1027 4.661,1028 1.034,1031 43.6,1032 48.528,1034 0.246,1035 0.546,1036 0.677,1037 0.827,1038 0.892,1039 0.908,1040 4.994,1041 1.414,1042 5.861,1043 3.329,1044 4.466,1045 5.13,1046 1.018,1047 6.725,1048 4.443,1049 6.223,1050 1.347,1051 7.442,1052 3.211,1053 4.007,1054 4.945,1056 7.722,1057 3.963,1058 7.549,1059 1.247,1060 9.131,1061 3.054,1062 6.094,1063 7.448,1064 0.64,1065 10.897,1066 6.051,1067 8.918,1068 1.048,1069 10.886,1070 2.902,1071 6.524,1072 8.157,1074 12.766,1075 6.462,1076 10.322,1077 0.695,1078 12.683,1079 2.667,1080 8.039,1081 10.087,1082 0.405,1083 15.449,1084 7.979,1085 11.752,1086 0.503,1087 14.509,1088 1.696,1089 8.876,1090 11.228,1092 17.663,1093 8.802,1094 13.203,1095 -0.141,1096 16.356,1097 1.275,1098 10.169,1099 12.922,1100 0.256,1101 20.193,1102 10.094,1103 3.306,1104 -0.254,1105 18.218,1106 -0.367,1107 11.191,1108 14.275,1110 22.552,1111 11.106,1112 2.996,1113 11.977,1114 20.092,1115 -0.628,1116 12.4,1117 15.874,1118 0.161,1119 25.034,1120 12.313,1121 2.532,1122 9.989,1123 21.974,1124 4.763,1125 13.506,1126 17.33,1128 27.456,1129 13.412,1130 2.507,1131 8.37,1132 23.865,1133 3.848,1134 14.687,1135 18.893,1136 0.101,1137 29.927,1138 14.591,1139 2.045,1140 7.917,1141 25.761,1142 3.798,1143 15.831,1144 20.4,1146 32.378,1147 15.729,1148 1.609,1149 6.041,1150 27.663,1151 3.372,1152 17.006,1153 21.953,1154 0.063,1155 34.848,1156 16.901,1157 1.48,1158 4.655,1159 29.57,1160 2.665,1161 18.169,1162 23.485,1164 37.313,1165 18.06,1166 7192,1167 11085,1168 20.978,1169 31.557,1170 45.681,1171 45.778,1172 46.646,1173 45.515,1174 45.461,1175 63.247,1176 2.608,1177 134.164,1178 44.893,1179 5.634,1180 5.464,1181 6.685,1182 5.308,1183 5.306,1184 7.763,1185 1.565,1186 19.508,1187 5.292,1188 6.454,1189 1.523,1190 1.526,1191 1.555,1192 1.517,1193 1.515,1194 2.108,1195 0.087,1196 4.472,1197 1.496,1198 4.187,1199 4.205,1200 4.153,1201 4.155,1202 6.469,1203 4.152,1204 3.945,1205 3.975,1206 3.887,1207 3.869,1208 4.991,1209 3.869,1210 3.758,1211 3.788,1212 3.686,1213 3.707,1214 4.736,1215 3.698,1216 3.649,1217 3.706,1218 3.574,1219 3.499,1220 4.615,1221 3.509,1222 3.185,1223 3.232,1224 3.077,1225 3.106,1226 4.573,1227 3.093,1228 3.11,1229 3.152,1230 3.02,1231 3.035,1232 4.003,1233 3.027,1234 2.942,1235 2.975,1236 2.825,1237 2.746,1238 3.872,1239 2.753,1240 2.813,1241 2.875,1242 2.693,1243 2.692,1244 3.651,1245 2.686,1246 0.158,1247 0.115,1248 0.233,1249 0.143,1250 0.11,1251 4.747,1252 0.159,1253 3.464,1254 0.026,1255 6.999,1256 0.399,1257 4.302,1258 0.11,1259 3.306,1260 4.763,1261 0.782,1262 11.977,1263 3.292,1264 2.16,1265 2.146,1266 2.221,1267 2.198,1268 1.409,1269 2.207,1270 1.905,1271 1.882,1272 2.015,1273 1.997,1274 1.207,1275 2.003,1276 1.772,1277 1.744,1278 1.902,1279 1.849,1280 0.978,1281 1.869,1282 1.471,1283 1.427,1284 1.668,1285 1.607,1286 0.89,1287 1.629,1288 1.264,1289 1.202,1290 1.426,1291 1.527,1292 0.523,1293 1.494,1294 1.187,1295 1.143,1296 1.375,1297 1.311,1298 0.458,1299 1.34,1300 0.936,1301 0.869,1302 1.17,1303 1.147,1304 0.266,1305 1.151,1306 0.883,1307 0.839,1308 1.14,1309 1.128,1310 0.165,1311 1.132,1312 4.111,1314 5.451,1315 2.398,1316 7.008,1317 4.595,1318 8.666,1319 6.605,1320 10.378,1327 10.18,1328 0.746,1329 3.22,1332 -0.01,1340 29.972,1341 59.114,1342 131.249,1343 162.599,1344 198.705,1345 214.215,1346 218.215,1347 32.77,1348 8.067,1349 44.62,1350 44.62,1351 29,1352 12.781,1353 4.585,1354 3.7,1355 33.691,1356 83,1357 86,1358 0.197,1359 179.811,1360 302.81,1361 430.498,1362 37188,1364 17.51,1365 0.673,1366 0.546,1367 17.51,1368 14.184,1369 12.81,1370 0.427,1371 0.294,1372 8.772,1373 12.611,1374 8.587,1375 7.084,1376 12.81,1377 8.819,1378 11.489,1379 0.267,1380 0.156,1381 11.489,1382 6.697,1383 10.371,1384 0.167,1385 0.083,1386 10.371,1387 5.125,1388 9.313,1389 0.106,1390 0.044,1391 9.313,1392 3.885,1393 7.875,1394 0.067,1395 0.024,1396 7.875,1397 2.781,1398 0.298,1399 78.344,1400 0.218,1401 24.464,1402 0.575,1403 146,1404 338.128,1405 151.545,1406 343.338,1407 490.58,1408 324,1409 178,1410 379.2,1411 184.073,1412 390.08,1413 575.11,1414 371,1415 7.613}
{0 CHEMBL2312573,1 1.423,2 9.556,3 4.238,4 17.964,5 105.426,6 7.876,7 0.71,8 3.933,9 4.03,10 3.554,11 3.579,12 5.102,13 3.557,14 4.412,15 4.533,16 3.938,17 4.003,18 5.523,19 3.962,20 4.71,21 4.882,22 4.014,23 4.148,24 5.768,25 4.081,26 4.756,27 4.936,28 4.023,29 4.136,30 5.883,31 4.063,32 4.8,33 5.003,34 3.966,35 4.117,36 5.851,37 4.036,38 4.75,39 4.981,40 3.786,41 4.024,42 5.704,43 3.911,44 4.611,45 4.85,46 3.572,47 3.85,48 5.587,49 3.729,50 4.401,51 4.639,52 3.486,53 3.707,54 5.382,55 3.602,56 0.076,57 0.585,58 8.175,59 4.002,60 12.377,61 4.762,62 0.028,63 0.953,64 13.537,65 6.678,66 12.283,67 8.36,68 0.142,69 1.287,70 21.227,71 9.305,72 29.422,73 11.782,74 0.277,75 1.349,76 22.865,77 9.81,78 49.468,79 12.686,80 0.277,81 1.459,82 25.051,83 9.895,84 47.88,85 12.704,86 0.232,87 1.412,88 24.613,89 9.685,90 36.514,91 13.095,92 0.255,93 1.18,94 22.429,95 8.82,96 39.979,97 11.74,98 0.107,99 0.92,100 18.067,101 7.667,102 21.449,103 10.396,104 5,105 45,106 0.24,107 0.533,108 0.667,109 0.791,110 0.829,111 0.844,112 3.341,113 0.866,114 -5.05,115 -4.95,116 -4.63,121 51.1,123 1,129 1,144 12,145 6,146 2,159 1,172 1,176 18,180 2,185 6,187 27,192 3,197 4,200 25,206 5,210 2,211 7,214 21,219 7,222 1,224 4,227 18,232 2,236 1,237 7,239 16,247 1,249 4,251 15,261 5,264 15,274 7,277 12,281 1061,282 18.654,283 18.654,284 18.654,285 18.654,286 18.654,287 15.806,288 12.74,289 10.908,290 18.798,291 15.341,292 15.341,293 15.341,294 15.341,295 15.341,296 11.129,297 17.39,298 5.194,299 15.592,300 4.069,301 2.329,302 1.534,303 0.8,304 0.578,305 0.489,306 4.056,311 1,312 1,313 582,314 2.236,317 56.169,318 232.169,322 179.061,325 1.416,326 21.85,328 1,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 57,338 258,339 4.747,340 3.466,341 6.999,342 4.302,343 3.307,344 4.763,345 0.782,346 11.977,347 3.292,348 4.326,349 3.239,350 6.469,351 3.997,352 3.018,353 3.932,354 0.522,355 10.032,356 2.951,357 4.032,358 2.826,359 5.982,360 3.532,361 2.551,362 3.798,364 8.37,365 2.532,366 3.941,367 2.532,368 5.792,369 3.525,370 2.532,371 3.384,373 7.943,374 2.484,375 3.567,376 2.512,377 5.27,378 3.202,379 2.233,380 2.89,382 6.534,383 2.158,384 3.285,385 2.111,386 4.899,387 2.842,388 1.878,389 2.564,391 5.429,392 1.804,393 3.014,394 1.83,395 4.595,396 2.551,397 1.571,398 2.255,400 4.403,401 1.538,402 2.911,403 1.509,404 4.116,405 2.454,406 1.472,407 2.037,409 3.329,410 1.437,411 2.847,412 1.347,413 3.948,414 2.347,415 1.347,416 2.021,418 3.236,419 1.347,420 2.747,421 1.278,422 3.709,423 2.247,424 1.247,425 1.87,427 2.982,428 1.247,429 2.498,430 1.247,431 3.594,432 2.124,433 1.146,434 1.481,436 2.902,437 1.118,438 2.077,439 0.952,440 3.383,441 1.705,442 0.72,443 0.874,445 1.742,446 0.708,447 1.728,448 0.596,449 3.253,450 1.5,451 0.506,452 0.637,454 1.282,455 0.502,456 1.275,457 0.293,458 2.862,459 0.913,460 -0.047,461 -0.058,463 -0.117,464 -0.044,465 1.207,466 -0.071,467 2.632,468 0.773,469 -0.202,470 -0.281,472 -0.57,473 -0.198,474 12.967,475 0.48,476 0.64,477 0.024,478 39,479 1.444,480 22.5,481 0.833,482 16.5,483 0.611,484 19.411,485 0.719,486 26.633,487 0.592,488 28.526,489 1.057,490 7.75,491 0.287,492 5.454,493 0.202,494 0.051,496 0.386,501 0.91,502 0.765,503 0.766,504 0.746,505 0.974,506 0.741,507 0.657,508 1.078,509 0.828,510 0.998,511 0.583,512 0.943,513 0.935,514 1.012,515 0.976,516 0.988,517 0.901,518 0.983,519 0.747,520 1.158,521 0.954,522 1.061,523 0.742,524 1.041,525 1.065,526 1.135,527 1.075,528 0.995,529 0.977,530 1.024,531 0.723,532 1.079,533 1.067,534 1.031,535 0.6,536 1.069,537 0.912,538 0.869,539 1.059,540 0.941,541 0.861,542 0.998,543 0.634,544 0.761,545 0.771,546 0.866,547 0.63,548 0.84,549 4.5,550 0.148,551 3.111,552 2.125,553 1.778,554 0.775,555 0.567,556 0.353,557 0.235,558 0.169,559 8688,560 22235,561 2.208,562 40,564 13,567 3,568 2,572 1.705,573 2.104,574 3.191,575 0.835,577 1,582 64.033,583 1.423,584 3.163,585 3.958,586 4.692,587 4.914,588 5.003,589 2.61,590 4.208,591 4.728,592 3.361,593 1179.76,594 8.23,595 14477.3,597 1,599 1,600 247.133,601 1.28,602 4.703,603 0.145,604 0.01,605 0.069,606 0.045,607 0.039,608 0.018,609 0.016,610 0.013,611 0.009,612 0.007,613 0.37,614 0.33,615 0.88,616 0.454,617 130.979,618 -0.056,619 0.241,620 0.013,621 0.169,622 -0.145,623 0.109,624 -0.024,625 -0.083,626 -0.034,627 -0.071,628 0.004,629 -0.056,630 -0.087,631 -0.02,632 -0.07,633 -0.033,634 -0.082,635 -0.045,636 0.165,637 -0.167,638 -0.02,639 -0.103,640 0.139,641 -0.093,642 -0.075,643 -0.092,644 -0.103,645 -0.051,646 -0.083,647 -0.079,648 0.003,649 -0.031,650 -0.08,651 -0.072,652 -0.009,653 -0.081,654 -0.014,655 0.128,656 -0.031,657 0.05,658 -0.014,659 0.019,660 0.077,661 0.166,662 0.243,663 0.161,664 0.119,665 0.219,666 1.615,667 4.201,668 0.926,669 21.048,670 0.998,671 1.105,672 3.817,673 14.572,674 0.711,675 3.466,676 3.829,677 4.174,678 4.522,679 4.804,680 4.949,681 5.13,682 5.303,683 5.442,684 5.472,685 5.715,686 0.682,687 354.43,688 3.466,689 5.03,690 5.916,691 6.825,692 7.73,693 8.646,694 9.558,695 10.477,696 11.393,697 12.314,698 4.4,700 1,707 1,714 4,715 12,720 4,722 22,738 2,741 45,743 23,744 4,745 31,747 49,748 23,749 20,750 8,751 12,756 5,757 8,759 1,767 2,770 2,772 21,773 2,777 1,785 1,786 1,790 1,793 18,794 4,795 3,796 4,802 2,808 0.6,809 2,828 1,829 4,833 2,859 3,868 27,875 2,876 1,877 1,880 1,893 4.4,895 2,901 12.833,902 7.933,903 5.778,904 2.644,907 4.965,908 1.608,909 1.019,910 3.764,911 13.126,912 3.784,913 4.477,914 5.162,915 5.851,916 6.512,917 6.919,918 7.41,919 7.907,920 8.348,921 8.575,922 1,923 47,924 9.97,926 4.423,927 0.026,929 7.698,931 19.165,933 16.58,936 2.198,937 59.333,940 1,941 176.567,942 135.669,943 34.551,945 85.367,948 135.669,949 261.933,950 34.551,952 2.535,953 131.603,954 88.123,955 33.326,957 176.567,959 176.567,960 170.22,961 85.367,964 176.567,965 85.367,968 37.086,969 133.135,972 176.567,973 119.918,974 135.669,977 176.567,978 21.954,979 113.715,980 17.888,981 102.03,982 176.567,983 119.918,984 135.669,986 0.587,987 0.354,988 0.208,989 0.117,990 25,991 10,992 0.041,993 2,994 2,995 1.16,996 3.839,997 254.219,998 0.16,999 25,1000 112.382,1005 16.158,1006 6.289,1007 2.715,1008 4.717,1009 119.918,1010 23.594,1015 1.996,1017 103.255,1018 432.154,1019 43,1027 4.621,1028 0.973,1031 44.927,1032 49.737,1034 0.259,1035 0.576,1036 0.721,1037 0.854,1038 0.895,1039 0.911,1040 5.027,1041 1.472,1042 5.911,1043 4.403,1044 4.511,1045 5.165,1046 1.018,1047 6.777,1048 4.48,1049 6.266,1050 1.347,1051 7.496,1052 3.329,1053 4.111,1054 5.037,1056 7.769,1057 4.05,1058 7.598,1059 1.247,1060 9.185,1061 3.236,1062 6.146,1063 7.489,1064 0.64,1065 10.933,1066 6.092,1067 8.97,1068 1.146,1069 10.935,1070 2.982,1071 6.594,1072 8.218,1074 12.786,1075 6.518,1076 10.375,1077 0.72,1078 12.727,1079 2.902,1080 8.087,1081 10.125,1082 0.405,1083 15.47,1084 8.015,1085 11.804,1086 0.506,1087 14.548,1088 1.742,1089 8.927,1090 11.271,1092 17.675,1093 8.84,1094 13.253,1095 -0.047,1096 16.389,1097 1.282,1098 10.21,1099 12.955,1100 0.256,1101 20.205,1102 10.124,1103 3.307,1104 -0.202,1105 18.246,1106 -0.117,1107 11.231,1108 14.308,1110 22.56,1111 11.135,1112 3.018,1113 11.977,1114 20.115,1115 -0.57,1116 12.436,1117 15.9,1118 0.161,1119 25.043,1120 12.338,1121 2.551,1122 10.032,1123 21.994,1124 4.763,1125 13.54,1126 17.355,1128 27.463,1129 13.435,1130 2.532,1131 8.37,1132 23.881,1133 3.932,1134 14.719,1135 18.915,1136 0.101,1137 29.933,1138 14.612,1139 2.233,1140 7.943,1141 25.775,1142 3.798,1143 15.861,1144 20.42,1146 32.383,1147 15.749,1148 1.878,1149 6.534,1150 27.676,1151 3.384,1152 17.035,1153 21.97,1154 0.063,1155 34.853,1156 16.92,1157 1.571,1158 5.429,1159 29.581,1160 2.89,1161 18.196,1162 23.5,1164 37.317,1165 18.077,1166 8015,1167 12923,1168 21.383,1169 32.012,1170 47.378,1171 47.523,1172 48.537,1173 47.161,1174 47.058,1175 65.013,1176 2.608,1177 140.319,1178 46.24,1179 5.634,1180 5.466,1181 6.685,1182 5.31,1183 5.307,1184 7.763,1185 1.565,1186 19.508,1187 5.292,1188 9.546,1189 1.528,1190 1.533,1191 1.566,1192 1.521,1193 1.518,1194 2.097,1195 0.084,1196 4.526,1197 1.492,1198 4.187,1199 4.205,1200 4.153,1201 4.155,1202 6.493,1203 4.152,1204 3.95,1205 3.975,1206 3.899,1207 3.867,1208 6.446,1209 3.871,1210 3.758,1211 3.788,1212 3.686,1213 3.707,1214 4.99,1215 3.698,1216 3.655,1217 3.707,1218 3.586,1219 3.499,1220 4.72,1221 3.511,1222 3.187,1223 3.232,1224 3.082,1225 3.106,1226 4.615,1227 3.094,1228 3.119,1229 3.155,1230 3.035,1231 3.036,1232 4.421,1233 3.03,1234 2.955,1235 2.979,1236 2.858,1237 2.746,1238 4.002,1239 2.756,1240 2.872,1241 2.916,1242 2.752,1243 2.702,1244 3.863,1245 2.712,1246 0.153,1247 0.112,1248 0.226,1249 0.139,1250 0.107,1251 4.747,1252 0.154,1253 3.466,1254 0.025,1255 6.999,1256 0.386,1257 4.302,1258 0.106,1259 3.307,1260 4.763,1261 0.782,1262 11.977,1263 3.292,1264 2.16,1265 2.146,1266 2.221,1267 2.198,1268 1.409,1269 2.207,1270 1.897,1271 1.88,1272 1.992,1273 1.997,1274 1.204,1275 1.995,1276 1.772,1277 1.744,1278 1.902,1279 1.849,1280 0.978,1281 1.869,1282 1.469,1283 1.427,1284 1.656,1285 1.609,1286 0.875,1287 1.627,1288 1.26,1289 1.204,1290 1.421,1291 1.531,1292 0.515,1293 1.493,1294 1.187,1295 1.143,1296 1.372,1297 1.311,1298 0.457,1299 1.34,1300 0.936,1301 0.871,1302 1.165,1303 1.155,1304 0.246,1305 1.151,1306 0.883,1307 0.839,1308 1.14,1309 1.128,1310 0.165,1311 1.132,1312 4.143,1314 5.493,1315 2.398,1316 7.052,1317 4.595,1318 8.711,1319 6.605,1320 10.423,1327 19.739,1328 0.663,1329 3.157,1332 -0.127,1340 30.687,1341 64.033,1342 142.339,1343 178.114,1344 211.133,1345 221.133,1346 225.133,1347 39.267,1348 8.162,1349 64.85,1350 64.85,1351 29,1352 12.823,1353 4.585,1354 3.7,1355 35.591,1356 91,1357 104,1358 0.191,1359 183.807,1360 311.6,1361 440.249,1362 41727,1364 18.38,1365 0.681,1366 0.539,1367 18.38,1368 14.554,1369 13.204,1370 0.426,1371 0.289,1372 8.891,1373 12.934,1374 8.713,1375 7.174,1376 13.204,1377 8.954,1378 12.122,1379 0.269,1380 0.153,1381 12.122,1382 6.881,1383 10.691,1384 0.167,1385 0.081,1386 10.691,1387 5.202,1388 9.657,1389 0.106,1390 0.043,1391 9.657,1392 3.929,1393 8.019,1394 0.066,1395 0.023,1396 8.019,1397 2.805,1398 0.291,1399 81.284,1400 0.216,1401 25.329,1402 0.552,1403 152,1404 378.277,1405 159.649,1406 379.749,1407 534.27,1408 356,1409 185,1410 408.23,1411 192.734,1412 418.392,1413 615.51,1414 397,1415 8.143}
{0 CHEMBL2312574,1 1.289,2 8.8,3 4.051,4 16.411,5 99.509,6 7.7,7 0.759,8 3.853,9 3.965,10 3.48,11 3.533,12 4.946,13 3.497,14 4.353,15 4.493,16 3.839,17 3.945,18 5.373,19 3.89,20 4.62,21 4.82,22 3.887,23 4.071,24 5.564,25 3.986,26 4.611,27 4.808,28 3.877,29 4.046,30 5.568,31 3.961,32 4.648,33 4.852,34 3.867,35 4.049,36 5.598,37 3.958,38 4.663,39 4.896,40 3.688,41 3.967,42 5.565,43 3.846,44 4.53,45 4.796,46 3.411,47 3.766,48 5.357,49 3.618,50 4.254,51 4.514,52 3.279,53 3.552,54 5.144,55 3.428,56 0.058,57 0.568,58 7.611,59 3.516,60 8.395,61 4.643,62 0.067,63 0.939,64 13.402,65 5.959,66 12.511,67 7.914,68 0.161,69 1.255,70 20.034,71 8.279,72 20.552,73 11.24,74 0.143,75 1.245,76 19.696,77 8.215,78 20.491,79 11.173,80 0.123,81 1.289,82 20.709,83 8.552,84 21.401,85 11.648,86 0.163,87 1.325,88 22.294,89 8.793,90 26.607,91 12.033,92 0.15,93 1.141,94 20.923,95 8.296,96 23.844,97 11.571,98 0.102,99 0.852,100 15.706,101 6.381,102 18.13,103 8.933,105 41,106 0.22,107 0.498,108 0.642,109 0.768,110 0.815,111 0.831,112 3.269,113 0.883,114 -5.1,115 -5,116 -4.68,121 52.4,123 1,129 1,144 12,145 5,147 1,148 1,159 1,172 1,176 18,180 4,185 1,187 24,192 4,195 1,197 2,200 24,205 1,206 5,211 3,214 19,219 7,224 5,227 17,232 5,237 5,239 11,244 4,249 2,251 9,256 5,264 11,269 2,277 11,281 897,282 17.706,283 17.706,284 17.706,285 17.706,286 17.706,287 14.936,288 9.912,289 10.616,290 17.84,291 14.391,292 14.391,293 14.391,294 14.391,295 14.391,296 10.332,297 15.332,298 5.076,299 14.597,300 4.104,301 2.473,302 1.634,303 0.895,304 0.619,305 0.524,306 3.989,310 1,311 1,312 1,313 502,314 2,317 49.93,318 207.645,322 159.648,325 1.296,326 10.739,328 1,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 51.5,338 220,339 4.747,340 3.446,341 6.999,342 4.3,343 3.304,344 4.763,345 0.782,346 11.975,347 3.291,348 4.139,349 3.13,350 6.181,351 3.853,352 2.881,353 3.798,354 0.522,355 9.21,356 2.797,357 4.032,358 2.682,359 5.982,360 3.532,361 2.532,362 3.588,364 8.37,365 2.532,366 3.85,367 2.532,368 5.739,369 3.4,370 2.42,371 3.336,373 7.739,374 2.372,375 3.337,376 1.977,377 4.91,378 2.901,379 1.921,380 2.637,382 5.443,383 1.881,384 3.045,385 1.735,386 4.326,387 2.572,388 1.583,389 2.28,391 4.002,392 1.565,393 2.971,394 1.506,395 4.116,396 2.469,397 1.476,398 2.151,400 3.329,401 1.464,402 2.847,403 1.347,404 3.728,405 2.347,406 1.347,407 2.021,409 3.16,410 1.347,411 2.747,412 1.247,413 3.594,414 2.247,415 1.247,416 1.87,418 2.902,419 1.247,420 2.5,421 1.163,422 3.514,423 2.026,424 1.054,425 1.5,427 2.589,428 1.023,429 2.381,430 1,431 3.328,432 1.957,433 1,434 1.339,436 2.136,437 0.954,438 2.058,439 0.916,440 3.252,441 1.666,442 0.682,443 0.834,445 1.677,446 0.67,447 1.725,448 0.589,449 3.247,450 1.493,451 0.501,452 0.636,454 1.271,455 0.497,456 1.264,457 -0.12,458 2.855,459 0.824,460 -0.171,461 -0.237,463 -0.494,464 -0.17,465 1.055,466 -0.409,467 2.404,468 0.555,469 -0.445,470 -0.668,472 -1.091,473 -0.445,474 12.2,475 0.488,476 0.445,477 0.018,478 37,479 1.48,480 21.5,481 0.86,482 15.5,483 0.62,484 16.935,485 0.677,486 23.8,487 0.567,488 24.818,489 0.993,490 7.337,491 0.293,492 5.062,493 0.202,496 0.328,501 0.71,502 0.878,503 0.733,504 0.812,505 0.787,506 0.782,507 1,508 1.096,509 0.912,510 0.985,511 1.011,512 0.95,513 1.09,514 0.908,515 0.97,516 0.911,517 1.052,518 0.927,519 1.018,520 1.073,521 0.978,522 1.017,523 0.955,524 0.998,525 1.117,526 1.191,527 1.016,528 1.081,529 0.928,530 1.048,531 1.347,532 1.12,533 1.156,534 1.094,535 1.216,536 1.107,537 1.128,538 0.94,539 1.041,540 0.969,541 1.023,542 0.992,543 0.903,544 0.852,545 0.849,546 0.838,547 0.787,548 0.839,549 3,550 0.033,551 2.444,552 1.5,553 1.441,554 0.584,555 0.501,556 0.226,557 0.083,558 0.054,559 7198,560 16181,561 2.277,562 40.5,564 13,566 1,567 1,568 2,572 1.686,573 2.239,574 3.103,575 -0.435,577 1,582 54.128,583 1.289,584 2.919,585 3.758,586 4.497,587 4.773,588 4.869,589 2.477,590 3.894,591 4.616,592 3.251,593 975.356,594 8.011,595 11303.9,597 1,599 1,600 226.477,601 0.904,602 4.616,603 0.103,604 0.004,605 0.06,606 0.036,607 0.035,608 0.015,609 0.016,610 0.009,611 0.004,612 0.003,613 0.284,614 0.67,615 0.88,617 117.669,618 0.175,619 0.116,620 0.064,621 0.065,622 0.033,623 0.058,624 -0.068,625 -0.105,626 -0.07,627 -0.088,628 -0.155,629 -0.081,630 -0.036,631 0.094,632 -0.029,633 0.035,634 -0.086,635 0.009,636 0.046,637 -0.074,638 -0.038,639 -0.075,640 0.02,641 -0.066,642 -0.031,643 -0.192,644 -0.063,645 -0.136,646 0.049,647 -0.108,648 -0.157,649 -0.106,650 -0.156,651 -0.131,652 -0.144,653 -0.141,654 -0.075,655 0.039,656 0.012,657 0.046,658 -0.009,659 0.038,660 0.042,661 0.108,662 0.194,663 0.185,664 0.249,665 0.199,666 1.2,667 1.691,668 1,669 18.906,670 0.988,671 1.105,672 3.874,673 15.011,674 0.723,675 3.401,676 3.738,677 4.094,678 4.443,679 4.736,680 4.86,681 5.069,682 5.231,683 5.342,684 5.352,685 5.343,686 0.685,687 323.42,688 3.401,689 4.949,690 5.832,691 6.732,692 7.636,693 8.547,694 9.459,695 10.374,696 11.29,697 12.209,698 7.1,700 1,707 1,708 1,714 4,715 13,716 1,720 2,722 22,741 42,743 23,744 3,745 29,747 46,748 22,749 19,750 5,751 9,756 5,757 8,759 1,767 2,770 2,772 20,773 2,777 1,785 1,786 1,790 1,793 17,794 3,795 1,796 3,802 3,808 0.6,822 1,828 1,829 4,833 2,859 3,868 25,876 1,877 1,880 1,901 11.167,902 7.567,903 5.417,904 2.571,907 4.873,908 1.612,909 1.078,910 3.326,911 12.836,912 3.738,913 4.407,914 5.1,915 5.796,916 6.467,917 6.862,918 7.389,919 7.88,920 8.316,921 8.527,922 0.833,923 42,924 9.209,926 4.003,927 0.026,929 7.46,931 18.084,933 15.56,936 1.96,937 49,940 1,941 188.338,942 144.288,943 51.337,948 144.288,949 188.338,950 51.337,952 2.535,953 131.603,954 31.313,955 41.945,957 176.567,959 188.338,960 195.625,964 188.338,968 48.89,969 129.949,970 16.786,972 188.338,973 51.337,974 144.288,977 188.338,978 21.525,979 122.762,980 17.888,981 33.449,982 188.338,983 51.337,984 144.288,986 0.576,987 0.349,988 0.209,989 0.12,990 23,991 8,992 0.043,993 2,994 2,995 1.16,996 3.748,997 228.488,998 0.16,999 25,1000 104.096,1005 14.328,1006 5.803,1007 2.41,1008 5.007,1009 51.337,1010 27.204,1011 4.478,1015 2.269,1017 17.888,1018 383.962,1019 41,1027 4.691,1028 1.101,1031 41.491,1032 46.401,1034 0.239,1035 0.541,1036 0.697,1037 0.834,1038 0.885,1039 0.903,1040 4.959,1041 1.347,1042 5.802,1043 3.329,1044 4.419,1045 5.094,1046 1.018,1047 6.653,1048 4.392,1049 6.178,1050 1.247,1051 7.371,1052 3.16,1053 3.892,1054 4.844,1056 7.621,1057 3.854,1058 7.496,1059 1.054,1060 9.048,1061 2.902,1062 6.028,1063 7.4,1064 0.64,1065 10.802,1066 5.979,1067 8.856,1068 1,1069 10.794,1070 2.589,1071 6.415,1072 8.071,1074 12.663,1075 6.357,1076 10.254,1077 0.682,1078 12.584,1079 2.136,1080 7.957,1081 10.031,1082 0.405,1083 15.347,1084 7.89,1085 11.679,1086 0.501,1087 14.405,1088 1.677,1089 8.768,1090 11.155,1092 17.563,1093 8.695,1094 13.125,1095 -0.171,1096 16.248,1097 1.271,1098 10.074,1099 12.865,1100 0.256,1101 20.097,1102 9.994,1103 3.304,1104 -0.445,1105 18.106,1106 -0.494,1107 11.083,1108 14.215,1110 22.462,1111 11,1112 2.881,1113 11.975,1114 19.977,1115 -1.091,1116 12.299,1117 15.824,1118 0.161,1119 24.951,1120 12.211,1121 2.532,1122 9.21,1123 21.858,1124 4.763,1125 13.4,1126 17.283,1128 27.381,1129 13.309,1130 2.42,1131 8.37,1132 23.748,1133 3.798,1134 14.585,1135 18.854,1136 0.101,1137 29.859,1138 14.492,1139 1.921,1140 7.739,1141 25.644,1142 3.588,1143 15.729,1144 20.365,1146 32.318,1147 15.633,1148 1.583,1149 5.443,1150 27.546,1151 3.336,1152 16.907,1153 21.923,1154 0.063,1155 34.795,1156 16.809,1157 1.476,1158 4.002,1159 29.454,1160 2.637,1161 18.071,1162 23.459,1164 37.266,1165 17.972,1166 6550,1167 9922,1168 20.572,1169 30.347,1170 44,1171 44.157,1172 44.37,1173 43.888,1174 43.898,1175 61.508,1176 2.608,1177 127.601,1178 43.28,1179 5.631,1180 5.446,1181 6.801,1182 5.34,1183 5.304,1184 7.763,1185 1.565,1186 19.506,1187 5.291,1189 1.517,1190 1.523,1191 1.53,1192 1.513,1193 1.514,1194 2.121,1195 0.09,1196 4.4,1197 1.492,1198 4.186,1199 4.204,1200 4.152,1201 4.154,1202 5.003,1203 4.151,1204 3.915,1205 3.962,1206 3.854,1207 3.8,1208 4.888,1209 3.807,1210 3.758,1211 3.788,1212 3.686,1213 3.707,1214 4.661,1215 3.698,1216 3.639,1217 3.699,1218 3.562,1219 3.489,1220 4.615,1221 3.498,1222 3.185,1223 3.232,1224 3.077,1225 3.106,1226 4.003,1227 3.093,1228 3.109,1229 3.151,1230 3.02,1231 3.035,1232 3.876,1233 3.026,1234 2.82,1235 2.889,1236 2.693,1237 2.701,1238 3.829,1239 2.689,1240 2.786,1241 2.856,1242 2.628,1243 2.674,1244 3.65,1245 2.655,1246 0.164,1247 0.119,1248 0.241,1249 0.148,1250 0.114,1251 4.747,1252 0.164,1253 3.446,1254 0.027,1255 6.999,1256 0.413,1257 4.3,1258 0.113,1259 3.304,1260 4.763,1261 0.782,1262 11.975,1263 3.291,1264 2.16,1265 2.146,1266 2.221,1267 2.198,1268 1.408,1269 2.207,1270 1.851,1271 1.812,1272 1.971,1273 1.98,1274 1.147,1275 1.98,1276 1.772,1277 1.744,1278 1.902,1279 1.849,1280 0.978,1281 1.869,1282 1.47,1283 1.425,1284 1.666,1285 1.605,1286 0.844,1287 1.628,1288 1.264,1289 1.202,1290 1.426,1291 1.526,1292 0.523,1293 1.494,1294 1.187,1295 1.143,1296 1.375,1297 1.311,1298 0.458,1299 1.34,1300 0.936,1301 0.868,1302 1.17,1303 1.128,1304 0.265,1305 1.151,1306 0.817,1307 0.754,1308 1.109,1309 1.007,1310 0.165,1311 1.041,1312 4.078,1314 5.407,1315 2.398,1316 6.956,1317 4.595,1318 8.606,1319 6.605,1320 10.312,1328 0.842,1329 3.276,1332 0.133,1340 28.752,1341 54.128,1342 122.597,1343 157.848,1344 188.868,1345 200.477,1346 204.477,1347 26.637,1348 7.963,1349 37.28,1350 37.28,1351 29,1352 12.719,1353 4.585,1354 3.7,1355 31.889,1356 77,1357 89,1358 0.199,1359 173.017,1360 287.72,1361 413.92,1362 32659,1364 16.64,1365 0.666,1366 0.547,1367 16.64,1368 13.684,1369 12.399,1370 0.428,1371 0.294,1372 8.491,1373 12.199,1374 8.312,1375 6.864,1376 12.399,1377 8.539,1378 10.961,1379 0.267,1380 0.156,1381 10.961,1382 6.393,1383 9.905,1384 0.168,1385 0.082,1386 9.905,1387 4.857,1388 8.913,1389 0.106,1390 0.044,1391 8.913,1392 3.676,1393 7.659,1394 0.068,1395 0.024,1396 7.659,1397 2.659,1398 0.301,1399 75.756,1400 0.22,1401 23.705,1402 0.582,1403 140,1404 317.623,1405 145.162,1406 324.17,1407 468.63,1408 308,1409 170,1410 365.634,1411 175.939,1412 376.089,1413 553.65,1414 358,1415 7.384}
{0 CHEMBL2312575,1 1.486,2 9.679,3 4.668,4 21.786,5 109.363,6 8.165,7 0.688,8 3.933,9 4.035,10 3.595,11 3.588,12 5.118,13 3.565,14 4.429,15 4.55,16 3.966,17 4.013,18 5.66,19 3.973,20 4.704,21 4.885,22 4.028,23 4.156,24 5.763,25 4.089,26 4.756,27 4.94,28 4.029,29 4.141,30 5.84,31 4.075,32 4.775,33 4.973,34 4.024,35 4.121,36 5.832,37 4.055,38 4.774,39 4.985,40 3.883,41 4.04,42 5.859,43 3.952,44 4.677,45 4.918,46 3.62,47 3.876,48 5.756,49 3.759,50 4.333,51 4.57,52 3.429,53 3.688,54 5.252,55 3.573,56 0.141,57 0.619,58 7.345,59 3.774,60 7.956,61 4.657,62 0.141,63 0.993,64 12.906,65 6.548,66 38.542,67 8.067,68 0.126,69 1.328,70 20.097,71 9.039,72 24.033,73 11.61,74 0.178,75 1.38,76 22.075,77 9.578,78 39.101,79 12.041,80 0.205,81 1.462,82 22.898,83 9.432,84 38.886,85 12.06,86 0.383,87 1.467,88 23.98,89 9.202,90 53.438,91 11.645,92 0.397,93 1.254,94 24.409,95 9.316,96 67.243,97 12.082,98 0.104,99 0.875,100 16.384,101 7.141,102 20.361,103 9.831,104 6,105 46,106 0.249,107 0.506,108 0.637,109 0.772,110 0.815,111 0.83,112 3.376,113 0.86,114 -6.09,115 -5.94,116 -5.52,121 51.1,123 1,129 1,144 13,145 6,146 1,159 1,168 2,172 1,176 20,179 1,180 4,185 2,187 28,192 9,197 3,200 27,206 11,211 3,214 20,219 9,222 1,224 5,227 20,231 1,232 5,235 2,237 5,239 17,243 2,244 1,249 2,251 18,256 4,264 18,269 8,277 13,281 1162,282 19.361,283 19.361,284 19.361,285 19.361,286 19.361,287 16.314,288 14.866,289 11.381,290 19.488,291 15.842,292 15.842,293 15.842,294 15.842,295 15.842,296 11.313,297 22.393,298 5.404,299 16.026,300 4.006,301 2.466,302 1.683,303 0.88,304 0.622,305 0.533,306 4.09,311 1,312 1,313 607,314 2.739,317 59.34,318 245.759,322 189.479,325 1.462,326 22.771,328 1,329 0.75,330 0.83,331 1,332 0.6,334 1,335 1,336 0.74,337 59.5,338 271,339 4.747,340 3.782,341 6.999,342 4.301,343 3.305,344 4.763,345 2.612,346 11.975,347 3.291,348 4.314,349 3.445,350 6.237,351 3.93,352 2.947,353 3.993,354 0.782,355 9.398,356 2.896,357 4.033,358 3.129,359 5.982,360 3.625,361 2.654,362 3.798,363 0.522,364 8.37,365 2.574,366 4.032,367 2.687,368 5.883,369 3.532,370 2.532,371 3.44,373 8.139,374 2.532,375 3.775,376 2.532,377 5.71,378 3.333,379 2.348,380 3.225,382 7.57,383 2.311,384 3.313,385 2.091,386 4.897,387 2.819,388 1.831,389 2.609,391 5.36,392 1.807,393 3.04,394 1.854,395 4.296,396 2.532,397 1.536,398 2.27,400 3.827,401 1.53,402 2.973,403 1.512,404 4.116,405 2.422,406 1.432,407 2.133,409 3.329,410 1.417,411 2.847,412 1.347,413 3.753,414 2.347,415 1.347,416 2.021,418 3.153,419 1.347,420 2.747,421 1.335,422 3.665,423 2.247,424 1.247,425 1.87,427 2.902,428 1.247,429 2.598,430 1.247,431 3.594,432 2.034,433 1.051,434 1.591,436 2.685,437 1.032,438 2.387,439 1.114,440 3.436,441 2,442 1,443 1.345,445 2.322,446 1,447 2.059,448 1,449 3.365,450 1.67,451 0.683,452 0.835,454 1.689,455 0.673,456 1.725,457 0.918,458 3.253,459 1.494,460 0.501,461 0.636,463 1.272,464 0.497,465 1.264,466 0.589,467 2.857,468 0.825,469 -0.171,470 -0.237,472 -0.495,473 -0.17,474 13.367,475 0.477,476 0.64,477 0.023,478 41.75,479 1.491,480 24.5,481 0.875,482 17.25,483 0.616,484 19.339,485 0.691,486 27.433,487 0.61,488 30.866,489 1.102,490 8.28,491 0.296,492 5.424,493 0.194,494 0.05,496 0.367,501 0.303,502 0.776,503 0.665,504 0.763,505 0.467,506 0.769,507 0.482,508 1.058,509 0.821,510 0.99,511 0.384,512 0.96,513 0.641,514 1.003,515 0.92,516 0.998,517 0.466,518 0.992,519 0.899,520 1.125,521 0.976,522 1.047,523 0.852,524 1.029,525 0.839,526 1.144,527 0.99,528 1.046,529 0.692,530 1.034,531 1,532 1.054,533 1.196,534 1.054,535 0.906,536 1.126,537 1.038,538 0.803,539 1.105,540 0.906,541 1.095,542 0.996,543 0.375,544 0.791,545 0.787,546 0.898,547 0.349,548 0.904,549 4.5,550 0.169,551 3.111,552 1.813,553 1.792,554 0.851,555 0.583,556 0.307,557 0.132,558 0.193,559 9659,560 26814,561 2.2,562 37.8,564 14,567 1,568 2,572 1.714,573 2.1,574 3.249,575 -0.394,582 66.85,583 1.486,584 3.026,585 3.809,586 4.612,587 4.87,588 4.959,589 2.623,590 3.798,591 4.78,592 3.426,593 1295.08,594 8.332,595 16505,597 1,600 247.133,601 1.264,602 4.757,603 0.141,604 0.008,605 0.068,606 0.038,607 0.038,608 0.019,609 0.015,610 0.011,611 0.005,612 0.007,613 0.349,614 0.33,615 0.75,616 0.615,617 138.136,618 0.313,619 0.258,620 0.061,621 0.134,622 0.014,623 0.066,624 0.142,625 -0.074,626 -0.046,627 -0.062,628 0.191,629 -0.077,630 -0.029,631 -0.016,632 -0.031,633 -0.036,634 0.038,635 -0.03,636 -0.067,637 -0.15,638 -0.043,639 -0.077,640 -0.051,641 -0.064,642 -0.034,643 -0.117,644 -0.04,645 -0.096,646 -0.024,647 -0.075,648 -0.023,649 -0.005,650 -0.201,651 -0.107,652 -0.073,653 -0.167,654 -0.004,655 0.158,656 -0.023,657 0.113,658 -0.036,659 0.056,660 0.098,661 0.111,662 0.219,663 0.151,664 0.083,665 0.196,666 2.363,667 4.103,668 0.893,669 22.929,670 1.003,671 1.107,672 4.86,673 23.617,674 0.717,675 3.497,676 3.85,677 4.19,678 4.522,679 4.82,680 4.956,681 5.159,682 5.318,683 5.447,684 5.497,685 5.994,686 0.693,687 367.43,688 3.497,689 5.056,690 5.938,691 6.841,692 7.743,693 8.653,694 9.564,695 10.478,696 11.392,697 12.308,698 6.7,700 1,707 1,709 1,714 4,715 13,720 3,722 22,735 1,741 45,743 25,744 4,745 32,747 49,748 23,749 20,750 7,751 13,756 5,757 8,759 1,767 2,770 2,772 21,773 2,777 3,779 1,782 2,785 1,786 1,790 1,793 17,794 4,795 1,796 5,802 3,808 0.6,809 2,828 1,829 4,833 2,859 3,868 28,876 1,877 1,880 1,893 4.4,899 2,901 13.333,902 8.15,903 6.028,904 2.71,907 5.163,908 1.626,909 1.053,910 3.979,911 13.411,912 3.85,913 4.533,914 5.196,915 5.875,916 6.542,917 6.946,918 7.461,919 7.923,920 8.36,921 8.598,922 1,923 48,924 10.323,926 4.554,927 0.026,929 7.774,931 19.745,933 16.93,936 2.274,937 63.667,940 1,941 188.338,942 147.902,943 40.221,945 50.747,948 147.902,949 239.085,950 40.221,951 5.67,952 2.535,953 141.079,954 2.757,955 36.083,957 188.338,958 50.747,959 188.338,960 188.124,961 50.747,964 188.338,966 50.747,968 37.086,969 145.368,970 5.67,972 188.338,973 90.968,974 147.902,977 188.338,978 24.711,979 128.861,980 17.888,981 67.41,982 188.338,983 90.968,984 147.902,986 0.585,987 0.351,988 0.201,989 0.116,990 25,991 10,992 0.061,993 3,994 2,995 1.16,996 3.933,997 264.515,998 0.16,999 25,1000 116.606,1005 16.76,1006 6.648,1007 2.911,1008 4.693,1009 85.298,1010 25.626,1015 2.106,1017 17.888,1018 427.208,1019 46,1021 -0.363,1024 22.206,1027 4.635,1028 0.976,1031 45.145,1032 49.82,1034 0.271,1035 0.551,1036 0.694,1037 0.84,1038 0.887,1039 0.903,1040 5.085,1041 1.432,1042 5.927,1043 3.827,1044 4.533,1045 5.22,1046 2.637,1047 6.783,1048 4.511,1049 6.321,1050 1.347,1051 7.507,1052 3.329,1053 4.111,1054 5.103,1055 2.361,1056 7.763,1057 4.071,1058 7.652,1059 1.247,1060 9.191,1061 3.153,1062 6.159,1063 7.541,1064 4.168,1065 10.917,1066 6.116,1067 9.023,1068 1.051,1069 10.938,1070 2.902,1071 6.594,1072 8.282,1073 4.506,1074 12.757,1075 6.535,1076 10.427,1077 1,1078 12.726,1079 2.685,1080 8.092,1081 10.174,1082 5.949,1083 15.428,1084 8.03,1085 11.854,1086 0.683,1087 14.541,1088 2.322,1089 8.918,1090 11.323,1091 6.556,1092 17.624,1093 8.845,1094 13.301,1095 0.501,1096 16.376,1097 1.689,1098 10.2,1099 12.996,1100 7.794,1101 20.148,1102 10.125,1103 3.305,1104 -0.171,1105 18.226,1106 1.272,1107 11.209,1108 14.348,1109 8.548,1110 22.501,1111 11.126,1112 2.947,1113 11.975,1114 20.088,1115 -0.495,1116 12.41,1117 15.933,1118 9.67,1119 24.982,1120 12.325,1121 2.654,1122 9.398,1123 21.96,1124 4.763,1125 13.505,1126 17.386,1127 10.509,1128 27.405,1129 13.416,1130 2.532,1131 8.37,1132 23.84,1133 3.993,1134 14.68,1135 18.941,1136 11.563,1137 29.879,1138 14.589,1139 2.348,1140 8.139,1141 25.728,1142 3.798,1143 15.816,1144 20.443,1145 12.452,1146 32.332,1147 15.722,1148 1.831,1149 7.57,1150 27.622,1151 3.44,1152 16.986,1153 21.99,1154 13.468,1155 34.807,1156 16.891,1157 1.536,1158 5.36,1159 29.522,1160 3.225,1161 18.144,1162 23.517,1163 14.386,1164 37.275,1165 18.046,1166 8953,1167 15062,1168 22.076,1169 32.256,1170 48.93,1171 50.545,1172 49.875,1173 48.835,1174 48.829,1175 69.058,1176 7.833,1177 143.98,1178 48.31,1179 5.633,1180 5.782,1181 6.685,1182 5.31,1183 5.305,1184 7.763,1185 4.612,1186 19.506,1187 5.291,1188 9.969,1189 1.529,1190 1.58,1191 1.559,1192 1.526,1193 1.526,1194 2.158,1195 0.245,1196 4.499,1197 1.51,1198 4.188,1199 4.206,1200 4.154,1201 4.155,1202 7.815,1203 4.152,1204 4.002,1205 4.03,1206 3.961,1207 3.893,1208 6.999,1209 3.899,1210 3.758,1211 3.788,1212 3.686,1213 3.707,1214 4.993,1215 3.698,1216 3.718,1217 3.773,1218 3.663,1219 3.516,1220 4.763,1221 3.535,1222 3.438,1223 3.466,1224 3.395,1225 3.113,1226 4.615,1227 3.148,1228 3.183,1229 3.23,1230 3.074,1231 3.071,1232 4.597,1233 3.084,1234 3.101,1235 3.144,1236 3.01,1237 2.973,1238 4.003,1239 2.997,1240 2.815,1241 2.878,1242 2.693,1243 2.697,1244 3.871,1245 2.688,1246 0.148,1247 0.118,1248 0.219,1249 0.134,1250 0.103,1251 4.747,1252 0.149,1253 3.782,1254 0.082,1255 6.999,1256 0.374,1257 4.301,1258 0.103,1259 3.305,1260 4.763,1261 2.612,1262 11.975,1263 3.291,1264 2.16,1265 2.146,1266 2.221,1267 2.198,1268 1.409,1269 2.207,1270 1.936,1271 1.91,1272 2.036,1273 2.088,1274 1.221,1275 2.057,1276 1.772,1277 1.744,1278 1.902,1279 1.849,1280 0.978,1281 1.869,1282 1.486,1283 1.443,1284 1.671,1285 1.738,1286 0.907,1287 1.683,1288 1.299,1289 1.251,1290 1.429,1291 1.578,1292 0.524,1293 1.547,1294 1.19,1295 1.148,1296 1.377,1297 1.472,1298 0.459,1299 1.436,1300 1.129,1301 1.083,1302 1.267,1303 1.311,1304 0.268,1305 1.34,1306 0.936,1307 0.868,1308 1.17,1309 1.128,1310 0.213,1311 1.151,1312 4.174,1314 5.517,1315 2.398,1316 7.069,1317 4.595,1318 8.718,1319 6.605,1320 10.422,1328 0.68,1329 3.182,1332 -0.076,1340 31.181,1341 66.85,1342 136.167,1343 171.418,1344 207.524,1345 219.133,1346 223.133,1347 40.885,1348 8.248,1349 70.21,1350 70.21,1351 29,1352 12.82,1353 4.7,1354 3.907,1355 37.521,1356 100,1357 100,1358 0.184,1359 187.674,1360 319.96,1361 449.684,1362 46876,1364 19.087,1365 0.682,1366 0.536,1367 19.087,1368 15.001,1369 13.704,1370 0.428,1371 0.287,1372 9.103,1373 13.324,1374 8.929,1375 7.365,1376 13.704,1377 9.179,1378 12.494,1379 0.272,1380 0.152,1381 12.494,1382 6.99,1383 10.953,1384 0.169,1385 0.081,1386 10.953,1387 5.296,1388 9.608,1389 0.106,1390 0.044,1391 9.608,1392 3.971,1393 8.291,1394 0.067,1395 0.023,1396 8.291,1397 2.887,1398 0.283,1399 85.028,1400 0.213,1401 26.216,1402 0.526,1403 156,1404 429.094,1405 165.618,1406 425.382,1407 588.94,1408 396,1409 189,1410 450.535,1411 198.899,1412 455.306,1413 664.39,1414 430,1415 7.686}
{0 CHEMBL2312576,1 1.332,2 10.296,3 4.757,4 22.627,5 108.501,6 7.499,7 0.71,8 3.957,9 4.063,10 3.557,11 3.611,12 5.04,13 3.576,14 4.468,15 4.609,16 3.912,17 4.022,18 5.471,19 3.969,20 4.706,21 4.888,22 3.978,23 4.169,24 5.652,25 4.086,26 4.753,27 4.945,28 3.957,29 4.174,30 5.687,31 4.076,32 4.821,33 5.048,34 3.928,35 4.157,36 5.717,37 4.048,38 4.761,39 4.996,40 3.78,41 4.045,42 5.645,43 3.925,44 4.624,45 4.863,46 3.565,47 3.888,48 5.484,49 3.755,50 4.468,51 4.723,52 3.41,53 3.777,54 5.299,55 3.633,56 0.062,57 0.607,58 9.049,59 4.25,60 9.63,61 5.508,62 0.113,63 1.005,64 16.429,65 7.234,66 16.218,67 9.334,68 0.145,69 1.297,70 22.092,71 9.495,72 21.541,73 12.678,74 0.131,75 1.37,76 23.378,77 10.075,78 22.768,79 13.635,80 0.156,81 1.514,82 26.344,83 10.71,84 27.396,85 14.885,86 0.24,87 1.425,88 25.418,89 9.958,90 29.725,91 13.73,92 0.242,93 1.203,94 22.673,95 9.014,96 28.209,97 12.259,98 0.119,99 1.02,100 19.402,101 8.198,102 19.553,103 11.494,104 3,105 44,106 0.223,107 0.503,108 0.649,109 0.763,110 0.791,111 0.806,112 3.341,113 0.891,114 -5.8,115 -5.66,116 -5.27,121 51.1,123 1,126 1,129 1,144 13,145 6,146 1,159 1,172 1,176 20,180 4,185 2,187 28,192 5,197 3,200 27,206 7,211 4,214 21,219 7,224 4,227 19,232 3,235 1,237 5,239 18,243 1,249 2,251 19,256 1,264 20,269 2,277 14,281 1100,282 19.024,283 19.024,284 19.024,285 19.024,286 19.024,287 16.281,288 14.226,289 11.2,290 19.274,291 15.285,292 15.285,293 15.285,294 15.285,295 15.285,296 11.159,297 19.983,298 5.252,299 15.581,300 4.223,301 2.547,302 1.678,303 0.995,304 0.825,305 0.739,306 4.059,311 1,312 1,313 628,314 2.345,317 58.191,318 235.621,322 182.749,325 1.619,326 11.918,328 1,329 0.75,330 0.83,331 1,332 0.6,333 0.5,334 1,335 1,336 0.81,337 56,338 278,339 4.747,340 3.447,341 6.999,342 4.3,343 3.305,344 4.763,345 0.86,346 11.975,347 3.291,348 4.177,349 3.142,350 6.186,351 3.882,352 2.899,353 3.798,354 0.782,355 9.228,356 2.85,357 4.032,358 2.823,359 5.982,360 3.532,361 2.532,362 3.704,363 0.522,364 8.37,365 2.532,366 3.916,367 2.624,368 5.742,369 3.482,370 2.514,371 3.378,373 7.762,374 2.439,375 3.612,376 2.532,377 5.298,378 3.255,379 2.292,380 2.921,382 6.762,383 2.194,384 3.254,385 1.925,386 4.887,387 2.774,388 1.792,389 2.528,391 5.337,392 1.755,393 3.003,394 1.547,395 4.235,396 2.512,397 1.515,398 2.244,400 3.636,401 1.511,402 2.847,403 1.473,404 4.116,405 2.347,406 1.347,407 2.021,409 3.329,410 1.347,411 2.747,412 1.347,413 3.714,414 2.247,415 1.247,416 1.87,418 3.102,419 1.247,420 2.521,421 1.247,422 3.594,423 2.194,424 1.231,425 1.503,427 2.902,428 1.181,429 2.5,430 1.048,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.075,439 1,440 3.382,441 1.707,442 0.728,443 0.876,445 1.738,446 0.71,447 1.73,448 0.909,449 3.253,450 1.502,451 0.515,452 0.637,454 1.281,455 0.506,456 1.622,457 0.59,458 2.864,459 1.335,460 0.452,461 0.518,463 0.718,464 0.397,465 1.264,466 -0.079,467 2.758,468 0.825,469 -0.17,470 -0.235,472 -0.484,473 -0.169,474 13.133,475 0.486,476 0.513,477 0.019,478 38.5,479 1.426,480 22,481 0.815,482 16.5,483 0.611,484 19.625,485 0.727,486 26.467,487 0.563,488 27.184,489 1.007,490 7.738,491 0.287,492 5.593,493 0.207,494 0.038,496 0.343,501 0.772,502 0.88,503 0.76,504 0.869,505 0.829,506 0.823,507 1.239,508 0.979,509 0.91,510 0.892,511 1.08,512 0.879,513 0.999,514 0.991,515 0.98,516 0.96,517 0.958,518 0.965,519 0.846,520 1.19,521 1.023,522 1.092,523 0.932,524 1.076,525 0.737,526 1.155,527 0.964,528 1.019,529 0.886,530 1.003,531 0.97,532 1.079,533 1.076,534 1.02,535 1.097,536 1.041,537 1.159,538 0.922,539 1.101,540 0.965,541 1.083,542 1.015,543 0.575,544 0.809,545 0.918,546 0.894,547 0.679,548 0.923,549 4,550 0.124,551 2.889,552 1.563,553 1.672,554 0.758,555 0.567,556 0.291,557 0.146,558 0.116,559 8980,560 20491,561 2.231,562 42.6,564 17,567 1,568 2,572 1.703,573 2.16,574 3.275,575 -0.455,582 62.588,583 1.332,584 3.007,585 3.877,586 4.56,587 4.73,588 4.815,589 2.75,590 4.06,591 4.723,592 3.454,593 1212.47,594 8.216,595 14945.1,597 1,600 261.066,601 1.125,602 4.716,603 0.129,604 0.008,605 0.066,606 0.034,607 0.038,608 0.018,609 0.016,610 0.01,611 0.006,612 0.006,613 0.331,614 0.67,615 0.75,616 0.528,617 131.813,618 0.107,619 0.125,620 0.067,621 0.049,622 0.012,623 0.053,624 -0.122,625 0.015,626 -0.023,627 0.043,628 -0.131,629 0.021,630 -0.094,631 0.005,632 -0.059,633 -0.007,634 -0.063,635 -0.026,636 -0.045,637 -0.195,638 -0.096,639 -0.137,640 -0.061,641 -0.127,642 0.002,643 -0.123,644 0.004,645 -0.063,646 0.029,647 -0.036,648 0.015,649 -0.036,650 -0.082,651 -0.066,652 -0.065,653 -0.079,654 -0.027,655 0.078,656 -0.088,657 0.013,658 -0.043,659 -0.033,661 0.152,662 0.074,663 0.114,664 0.11,665 0.106,666 1.149,667 1.77,668 0.926,669 22.546,670 0.989,671 1.105,672 4.568,673 20.87,674 0.709,675 3.466,676 3.807,677 4.159,678 4.489,679 4.787,680 4.934,681 5.13,682 5.283,683 5.416,684 5.451,685 5.964,686 0.67,687 352.46,688 3.466,689 5.017,690 5.9,691 6.799,692 7.701,693 8.61,694 9.52,695 10.434,696 11.348,697 12.265,698 4.3,700 1,707 1,714 4,715 13,720 3,722 22,739 1,741 47,743 23,744 4,745 31,747 51,748 24,749 20,750 7,751 13,756 5,757 8,759 1,767 2,770 2,772 21,773 3,777 1,785 1,786 1,793 20,794 3,795 1,796 3,802 2,808 0.6,809 1,828 1,829 4,833 2,859 3,864 1,868 27,876 1,877 1,878 1,880 1,893 2.1,898 1,901 12.5,902 8.783,903 5.917,904 2.801,907 4.927,908 1.604,909 1.054,910 3.972,911 13.088,912 3.784,913 4.454,914 5.145,915 5.829,916 6.503,917 6.909,918 7.415,919 7.898,920 8.339,921 8.559,922 0.857,923 46,924 9.946,926 4.278,927 0.026,929 7.469,931 19.523,933 16.64,936 1.969,937 53.167,940 1,941 223.651,942 161.272,943 34.551,945 11,948 161.272,949 234.651,950 34.551,951 10.883,952 2.535,953 141.079,954 2.757,955 49.569,957 223.651,959 223.651,960 195.823,961 11,964 223.651,965 11,968 37.086,969 158.737,972 223.651,973 45.551,974 161.272,977 223.651,978 27.198,979 134.074,980 17.888,981 27.663,982 223.651,983 45.551,984 161.272,986 0.578,987 0.354,988 0.203,989 0.116,990 24,991 9,992 0.059,993 3,994 2,995 1.16,996 3.905,997 250.614,998 0.16,999 25,1000 112.382,1005 16.194,1006 6.622,1007 2.818,1008 5.017,1009 45.551,1010 27.612,1015 3.337,1017 17.888,1018 430.474,1019 43,1027 4.742,1028 1.115,1031 46.483,1032 51.943,1034 0.24,1035 0.541,1036 0.698,1037 0.821,1038 0.852,1039 0.867,1040 5.014,1041 1.347,1042 5.878,1043 3.636,1044 4.489,1045 5.142,1046 1.446,1047 6.727,1048 4.458,1049 6.237,1050 1.247,1051 7.451,1052 3.329,1053 4.007,1054 4.945,1056 7.698,1057 3.963,1058 7.559,1059 1.231,1060 9.128,1061 3.102,1062 6.107,1063 7.451,1064 1.096,1065 10.853,1066 6.055,1067 8.923,1068 1,1069 10.869,1070 2.902,1071 6.509,1072 8.144,1074 12.698,1075 6.445,1076 10.322,1077 0.728,1078 12.652,1079 2.275,1080 8.028,1081 10.077,1082 0.836,1083 15.372,1084 7.962,1085 11.746,1086 0.515,1087 14.465,1088 1.738,1089 8.838,1090 11.204,1092 17.578,1093 8.765,1094 13.19,1095 0.452,1096 16.299,1097 1.281,1098 10.13,1099 12.901,1100 0.637,1101 20.107,1102 10.057,1103 3.305,1104 -0.17,1105 18.15,1106 0.718,1107 11.134,1108 14.248,1110 22.469,1111 11.057,1112 2.899,1113 11.975,1114 20.013,1115 -0.484,1116 12.341,1117 15.849,1118 0.481,1119 24.956,1120 12.263,1121 2.532,1122 9.228,1123 21.888,1124 4.763,1125 13.437,1126 17.305,1128 27.384,1129 13.356,1130 2.514,1131 8.37,1132 23.772,1133 3.798,1134 14.617,1135 18.871,1136 0.36,1137 29.862,1138 14.534,1139 2.292,1140 7.762,1141 25.664,1142 3.704,1143 15.756,1144 20.38,1146 32.319,1147 15.672,1148 1.792,1149 6.762,1150 27.563,1151 3.378,1152 16.93,1153 21.935,1154 0.267,1155 34.796,1156 16.845,1157 1.515,1158 5.337,1159 29.467,1160 2.921,1161 18.092,1162 23.469,1164 37.267,1165 18.004,1166 8278,1167 12598,1168 21.671,1169 33.319,1170 46.728,1171 47.354,1172 47.851,1173 46.68,1174 46.739,1175 64.522,1176 4.328,1177 136.829,1178 45.919,1179 5.632,1180 5.447,1181 6.685,1182 5.309,1183 5.305,1184 7.763,1185 1.72,1186 19.506,1187 5.291,1188 7.146,1189 1.507,1190 1.528,1191 1.544,1192 1.506,1193 1.508,1194 2.081,1195 0.14,1196 4.414,1197 1.481,1198 4.187,1199 4.205,1200 4.153,1201 4.155,1202 4.998,1203 4.152,1204 3.949,1205 3.979,1206 3.889,1207 3.872,1208 4.866,1209 3.872,1210 3.758,1211 3.788,1212 3.686,1213 3.707,1214 4.691,1215 3.698,1216 3.662,1217 3.714,1218 3.59,1219 3.502,1220 4.615,1221 3.515,1222 3.247,1223 3.307,1224 3.114,1225 3.108,1226 4.334,1227 3.097,1228 3.179,1229 3.228,1230 3.061,1231 3.053,1232 4.002,1233 3.051,1234 3.085,1235 3.135,1236 2.953,1237 2.916,1238 3.863,1239 2.914,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.153,1247 0.111,1248 0.226,1249 0.139,1250 0.107,1251 4.747,1252 0.154,1253 3.447,1254 0.028,1255 6.999,1256 0.386,1257 4.3,1258 0.106,1259 3.305,1260 4.763,1261 0.86,1262 11.975,1263 3.291,1264 2.16,1265 2.146,1266 2.221,1267 2.198,1268 1.409,1269 2.207,1270 1.909,1271 1.886,1272 2.02,1273 2.002,1274 1.213,1275 2.008,1276 1.772,1277 1.744,1278 1.902,1279 1.849,1280 0.978,1281 1.869,1282 1.474,1283 1.432,1284 1.671,1285 1.632,1286 0.895,1287 1.646,1288 1.286,1289 1.231,1290 1.558,1291 1.558,1292 0.58,1293 1.54,1294 1.19,1295 1.146,1296 1.414,1297 1.431,1298 0.508,1299 1.443,1300 1.131,1301 1.045,1302 1.367,1303 1.311,1304 0.456,1305 1.34,1306 0.931,1307 0.859,1308 1.181,1309 1.128,1310 0.247,1311 1.15,1312 4.143,1314 5.476,1315 2.398,1316 7.026,1317 4.595,1318 8.674,1319 6.605,1320 10.376,1322 1.69,1328 0.865,1329 3.335,1330 5.27,1332 0.184,1340 31.499,1341 62.588,1342 141.344,1343 182.205,1344 214.311,1345 222.311,1346 226.311,1347 30.26,1348 8.161,1349 33.62,1350 33.62,1351 29,1352 12.776,1353 4.585,1354 3.7,1355 35.675,1356 94,1357 123,1358 0.184,1359 189.403,1360 320.11,1361 453.904,1362 42031,1364 18.217,1365 0.675,1366 0.561,1367 18.217,1368 15.145,1369 13.331,1370 0.43,1371 0.297,1372 9.129,1373 13.043,1374 8.887,1375 7.364,1376 13.331,1377 9.202,1378 11.752,1379 0.267,1380 0.157,1381 11.752,1382 6.911,1383 10.724,1384 0.17,1385 0.085,1386 10.724,1387 5.331,1388 9.375,1389 0.107,1390 0.045,1391 9.375,1392 3.952,1393 7.994,1394 0.067,1395 0.024,1396 7.994,1397 2.848,1398 0.283,1399 82.009,1400 0.215,1401 25.529,1402 0.524,1403 150,1404 353.714,1405 156.32,1406 353.471,1407 506.7,1408 336,1409 182,1410 389.715,1411 188.738,1412 401.697,1413 589.61,1414 380,1415 7.595}
{0 CHEMBL2312577,1 1.486,2 10.393,3 4.668,4 21.786,5 109.363,6 8.165,7 0.688,8 3.933,9 4.035,10 3.595,11 3.588,12 5.118,13 3.565,14 4.429,15 4.55,16 3.966,17 4.013,18 5.66,19 3.973,20 4.704,21 4.885,22 4.028,23 4.156,24 5.765,25 4.089,26 4.756,27 4.94,28 4.011,29 4.139,30 5.856,31 4.069,32 4.768,33 4.975,34 3.952,35 4.107,36 5.793,37 4.025,38 4.699,39 4.921,40 3.802,41 4.014,42 5.637,43 3.911,44 4.638,45 4.877,46 3.649,47 3.871,48 5.653,49 3.759,50 4.46,51 4.685,52 3.513,53 3.721,54 5.615,55 3.62,56 0.141,57 0.619,58 7.345,59 3.774,60 7.956,61 4.657,62 0.141,63 0.993,64 12.906,65 6.548,66 38.536,67 8.067,68 0.126,69 1.328,70 20.097,71 9.039,72 23.964,73 11.61,74 0.183,75 1.379,76 22.045,77 9.565,78 39.976,79 11.996,80 0.216,81 1.429,82 23.441,83 9.646,84 42.909,85 12.402,86 0.191,87 1.372,88 21.921,89 8.965,90 32.127,91 11.918,92 0.35,93 1.253,94 22.606,95 8.694,96 45.175,97 11.551,98 0.325,99 0.966,100 19.386,101 7.788,102 57.808,103 10.002,104 6,105 46,106 0.249,107 0.506,108 0.636,109 0.755,110 0.785,111 0.8,112 3.375,113 0.86,114 -6.09,115 -5.94,116 -5.52,121 51.1,123 1,129 1,144 13,145 6,146 1,159 1,168 2,172 1,176 20,179 1,180 4,185 2,187 28,192 9,197 3,200 27,206 11,211 4,214 21,219 9,224 4,227 19,232 3,235 1,237 5,239 18,243 1,244 2,247 2,249 2,251 19,255 2,256 1,264 20,269 4,277 14,281 1192,282 19.361,283 19.361,284 19.361,285 19.361,286 19.361,287 16.314,288 14.866,289 11.337,290 19.488,291 15.825,292 15.825,293 15.825,294 15.825,295 15.825,296 11.307,297 20.475,298 5.372,299 16.011,300 4.006,301 2.466,302 1.691,303 0.978,304 0.8,305 0.711,306 4.09,311 1,312 1,313 653,314 2.739,317 62.369,318 249.969,322 194.512,325 1.651,326 22.192,328 1,329 0.75,330 0.83,331 1,332 0.6,334 1,335 1,336 0.74,337 59.5,338 291,339 4.747,340 3.779,341 6.999,342 4.3,343 3.305,344 4.763,345 2.612,346 11.975,347 3.291,348 4.283,349 3.446,350 6.195,351 3.902,352 2.918,353 3.964,354 0.782,355 9.246,356 2.87,357 4.061,358 3.129,359 5.982,360 3.651,361 2.681,362 3.798,363 0.522,364 8.37,365 2.598,366 4.032,367 2.685,368 5.902,369 3.532,370 2.532,371 3.466,373 8.135,374 2.532,375 3.801,376 2.532,377 5.73,378 3.362,379 2.375,380 3.264,382 7.687,383 2.341,384 3.312,385 2.108,386 4.903,387 2.826,388 1.838,389 2.606,391 5.396,392 1.814,393 3.037,394 1.873,395 4.302,396 2.525,397 1.528,398 2.265,400 3.838,401 1.524,402 2.975,403 1.515,404 4.116,405 2.373,406 1.388,407 2.118,409 3.329,410 1.366,411 2.847,412 1.347,413 3.761,414 2.347,415 1.347,416 2.021,418 3.146,419 1.347,420 2.747,421 1.336,422 3.677,423 2.247,424 1.247,425 1.87,427 2.902,428 1.247,429 2.5,430 1.247,431 3.594,432 2.029,433 1.043,434 1.5,436 2.662,437 1.027,438 2.439,439 1,440 3.414,441 2,442 1,443 1.388,445 2.275,446 1,447 2.066,448 1,449 3.368,450 1.678,451 0.69,452 0.846,454 1.699,455 0.681,456 1.726,457 0.941,458 3.253,459 1.495,460 0.502,461 0.636,463 1.274,464 0.498,465 1.265,466 0.591,467 2.857,468 0.83,469 -0.167,470 -0.231,472 -0.481,473 -0.166,474 13.367,475 0.477,476 0.64,477 0.023,478 41.75,479 1.491,480 24.5,481 0.875,482 17.25,483 0.616,484 19.224,485 0.687,486 27.433,487 0.61,488 30.604,489 1.093,490 8.28,491 0.296,492 5.424,493 0.194,494 0.05,496 0.367,501 0.303,502 0.776,503 0.665,504 0.763,505 0.467,506 0.769,507 0.482,508 1.058,509 0.821,510 0.99,511 0.385,512 0.96,513 0.641,514 1.003,515 0.92,516 0.998,517 0.462,518 0.992,519 0.913,520 1.113,521 1.014,522 1.061,523 0.838,524 1.056,525 0.859,526 1.112,527 1.022,528 1.015,529 0.735,530 1.034,531 0.626,532 1.102,533 1.088,534 1.102,535 0.418,536 1.138,537 0.773,538 0.839,539 1.064,540 0.947,541 0.723,542 1.022,543 1.02,544 0.704,545 0.977,546 0.836,547 1.251,548 0.902,549 4.5,550 0.157,551 3.333,552 1.813,553 1.712,554 0.82,555 0.648,556 0.313,557 0.177,558 0.116,559 9935,560 28002,561 2.2,562 37.8,564 14,567 1,568 2,572 1.712,573 2.1,574 3.305,575 -0.394,582 66.85,583 1.486,584 3.026,585 3.801,586 4.514,587 4.692,588 4.781,589 2.758,590 3.852,591 4.776,592 3.513,593 1328.03,594 8.316,595 16948.4,597 1,600 247.133,601 1.264,602 4.757,603 0.141,604 0.009,605 0.072,606 0.038,607 0.037,608 0.019,609 0.018,610 0.01,611 0.007,612 0.005,613 0.357,614 0.33,615 0.75,616 0.615,617 138.869,618 0.313,619 0.258,620 0.061,621 0.134,622 0.014,623 0.066,624 0.142,625 -0.074,626 -0.046,627 -0.062,628 0.19,629 -0.077,630 -0.029,631 -0.016,632 -0.031,633 -0.036,634 0.042,635 -0.03,636 -0.082,637 -0.137,638 -0.082,639 -0.093,640 -0.036,641 -0.09,642 -0.084,643 -0.11,644 -0.056,645 -0.045,646 -0.061,647 -0.049,648 -0.018,649 -0.075,650 -0.121,651 -0.137,652 -0.024,653 -0.141,654 0.088,655 0.163,656 -0.017,657 0.049,658 0.016,659 0.011,660 0.063,661 0.202,662 0.091,663 0.205,664 -0.017,665 0.157,666 2.379,667 3.887,668 0.893,669 24.51,670 1.003,671 1.107,672 4.86,673 23.617,674 0.717,675 3.497,676 3.85,677 4.19,678 4.511,679 4.804,680 4.963,681 5.165,682 5.303,683 5.442,684 5.493,685 6.226,686 0.693,687 367.43,688 3.497,689 5.056,690 5.938,691 6.838,692 7.739,693 8.648,694 9.557,695 10.47,696 11.383,697 12.299,698 6.7,700 1,707 1,709 1,714 4,715 13,720 3,722 22,735 1,741 45,743 25,744 4,745 32,747 49,748 23,749 20,750 7,751 13,756 5,757 8,759 1,767 2,770 2,772 21,773 2,777 3,779 1,782 2,785 1,786 1,790 1,793 17,794 4,795 1,796 5,802 3,808 0.6,809 2,828 1,829 4,833 2,859 3,868 28,876 1,877 1,880 1,893 4.4,899 2,901 13.333,902 8.15,903 6.028,904 2.71,907 5.129,908 1.622,909 1.053,910 3.979,911 13.377,912 3.85,913 4.533,914 5.196,915 5.868,916 6.533,917 6.958,918 7.465,919 7.913,920 8.363,921 8.593,922 0.857,923 48,924 10.313,926 4.542,927 0.026,929 7.774,931 19.745,933 16.93,936 2.274,937 63.667,940 1,941 188.338,942 147.902,943 40.221,945 50.747,948 147.902,949 239.085,950 40.221,951 5.67,952 2.535,953 141.079,954 2.757,955 36.083,957 188.338,958 50.747,959 188.338,960 188.124,961 50.747,964 188.338,966 50.747,968 37.086,969 145.368,970 5.67,972 188.338,973 90.968,974 147.902,977 188.338,978 24.711,979 128.861,980 17.888,981 67.41,982 188.338,983 90.968,984 147.902,986 0.586,987 0.352,988 0.198,989 0.111,990 25,991 10,992 0.061,993 3,994 2,995 1.16,996 3.964,997 262.561,998 0.16,999 25,1000 116.606,1005 16.76,1006 6.648,1007 2.911,1008 4.757,1009 85.298,1010 25.64,1015 2.252,1017 17.888,1018 427.208,1019 46,1021 -0.379,1024 21.774,1027 4.654,1028 1.011,1031 45.145,1032 49.82,1034 0.271,1035 0.551,1036 0.692,1037 0.822,1038 0.854,1039 0.871,1040 5.085,1041 1.388,1042 5.927,1043 3.838,1044 4.533,1045 5.22,1046 2.637,1047 6.781,1048 4.511,1049 6.321,1050 1.347,1051 7.507,1052 3.329,1053 4.111,1054 5.103,1055 2.361,1056 7.763,1057 4.071,1058 7.652,1059 1.247,1060 9.191,1061 3.146,1062 6.159,1063 7.541,1064 4.168,1065 10.909,1066 6.116,1067 9.023,1068 1.043,1069 10.937,1070 2.902,1071 6.594,1072 8.282,1073 4.506,1074 12.751,1075 6.535,1076 10.427,1077 1,1078 12.724,1079 2.662,1080 8.09,1081 10.172,1082 5.949,1083 15.417,1084 8.028,1085 11.854,1086 0.69,1087 14.538,1088 2.275,1089 8.914,1090 11.32,1091 6.556,1092 17.614,1093 8.841,1094 13.3,1095 0.502,1096 16.372,1097 1.699,1098 10.194,1099 12.993,1100 7.794,1101 20.136,1102 10.12,1103 3.305,1104 -0.167,1105 18.221,1106 1.274,1107 11.201,1108 14.343,1109 8.548,1110 22.49,1111 11.119,1112 2.918,1113 11.975,1114 20.083,1115 -0.481,1116 12.401,1117 15.928,1118 9.67,1119 24.972,1120 12.317,1121 2.681,1122 9.246,1123 21.954,1124 4.763,1125 13.493,1126 17.38,1127 10.509,1128 27.396,1129 13.406,1130 2.532,1131 8.37,1132 23.834,1133 3.964,1134 14.667,1135 18.935,1136 11.563,1137 29.87,1138 14.578,1139 2.375,1140 8.135,1141 25.721,1142 3.798,1143 15.803,1144 20.437,1145 12.452,1146 32.325,1147 15.71,1148 1.838,1149 7.687,1150 27.615,1151 3.466,1152 16.972,1153 21.984,1154 13.468,1155 34.8,1156 16.879,1157 1.528,1158 5.396,1159 29.515,1160 3.264,1161 18.129,1162 23.512,1163 14.386,1164 37.27,1165 18.034,1166 9205,1167 15602,1168 22.076,1169 32.256,1170 48.895,1171 50.441,1172 49.892,1173 48.798,1174 48.79,1175 69.009,1176 7.833,1177 143.868,1178 48.272,1179 5.632,1180 5.779,1181 6.685,1182 5.31,1183 5.305,1184 7.763,1185 4.612,1186 19.506,1187 5.291,1188 10.174,1189 1.528,1190 1.576,1191 1.559,1192 1.525,1193 1.525,1194 2.157,1195 0.245,1196 4.496,1197 1.508,1198 4.188,1199 4.206,1200 4.154,1201 4.155,1202 7.815,1203 4.152,1204 4,1205 4.029,1206 3.958,1207 3.892,1208 6.999,1209 3.897,1210 3.758,1211 3.788,1212 3.686,1213 3.707,1214 4.993,1215 3.698,1216 3.729,1217 3.783,1218 3.676,1219 3.521,1220 4.764,1221 3.542,1222 3.423,1223 3.449,1224 3.384,1225 3.121,1226 4.615,1227 3.156,1228 3.181,1229 3.228,1230 3.071,1231 3.078,1232 4.593,1233 3.081,1234 3.083,1235 3.127,1236 2.992,1237 2.907,1238 4.003,1239 2.949,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.867,1245 2.715,1246 0.148,1247 0.118,1248 0.219,1249 0.134,1250 0.103,1251 4.747,1252 0.149,1253 3.779,1254 0.082,1255 6.999,1256 0.374,1257 4.3,1258 0.103,1259 3.305,1260 4.763,1261 2.612,1262 11.975,1263 3.291,1264 2.16,1265 2.146,1266 2.221,1267 2.198,1268 1.409,1269 2.207,1270 1.936,1271 1.91,1272 2.036,1273 2.087,1274 1.219,1275 2.056,1276 1.772,1277 1.744,1278 1.902,1279 1.849,1280 0.978,1281 1.869,1282 1.494,1283 1.452,1284 1.673,1285 1.754,1286 0.909,1287 1.699,1288 1.314,1289 1.267,1290 1.433,1291 1.576,1292 0.525,1293 1.546,1294 1.19,1295 1.147,1296 1.378,1297 1.426,1298 0.459,1299 1.376,1300 1.033,1301 0.988,1302 1.195,1303 1.311,1304 0.267,1305 1.339,1306 0.916,1307 0.84,1308 1.181,1309 1.128,1310 0.218,1311 1.15,1312 4.174,1314 5.517,1315 2.398,1316 7.069,1317 4.595,1318 8.717,1319 6.605,1320 10.418,1328 0.732,1329 3.218,1332 0.008,1340 31.181,1341 66.85,1342 136.167,1343 171.028,1344 203.133,1345 211.133,1346 215.133,1347 40.052,1348 8.248,1349 70.21,1350 70.21,1351 29,1352 12.811,1353 4.7,1354 3.907,1355 37.624,1356 103,1357 116,1358 0.179,1359 187.674,1360 319.96,1361 449.684,1362 46876,1364 19.087,1365 0.682,1366 0.536,1367 19.087,1368 15.001,1369 13.704,1370 0.428,1371 0.287,1372 9.103,1373 13.324,1374 8.929,1375 7.364,1376 13.704,1377 9.179,1378 12.482,1379 0.271,1380 0.152,1381 12.482,1382 6.987,1383 11.014,1384 0.169,1385 0.082,1386 11.014,1387 5.319,1388 9.59,1389 0.107,1390 0.044,1391 9.59,1392 3.944,1393 8.087,1394 0.067,1395 0.024,1396 8.087,1397 2.849,1398 0.277,1399 85.028,1400 0.213,1401 26.389,1402 0.503,1403 156,1404 429.094,1405 165.618,1406 425.317,1407 588.92,1408 396,1409 189,1410 450.535,1411 198.899,1412 455.171,1413 664.13,1414 430,1415 7}
{0 CHEMBL2312578,1 1.344,2 9.538,3 4.506,4 20.302,5 103.732,6 7.692,7 0.733,8 3.9,9 4.004,10 3.514,11 3.572,12 5.021,13 3.538,14 4.391,15 4.52,16 3.886,17 3.993,18 5.449,19 3.94,20 4.679,21 4.863,22 3.938,23 4.132,24 5.673,25 4.047,26 4.701,27 4.899,28 3.908,29 4.11,30 5.656,31 4.016,32 4.727,33 4.945,34 3.895,35 4.088,36 5.655,37 3.992,38 4.688,39 4.91,40 3.752,41 3.998,42 5.646,43 3.886,44 4.594,45 4.841,46 3.497,47 3.838,48 5.525,49 3.7,50 4.359,51 4.616,52 3.313,53 3.681,54 5.202,55 3.536,56 0.069,57 0.563,58 8.143,59 3.856,60 9.653,61 4.886,62 0.052,63 0.925,64 13.854,65 6.515,66 12.146,67 8.493,68 0.14,69 1.256,70 21.126,71 9.139,72 24.937,73 12.063,74 0.127,75 1.297,76 22.038,77 9.492,78 23.276,79 12.736,80 0.139,81 1.383,82 23.268,83 9.514,84 23.887,85 13.012,86 0.222,87 1.331,88 22.783,89 9.033,90 31.497,91 12.188,92 0.25,93 1.176,94 22.232,95 8.798,96 37.028,97 11.857,98 0.1,99 0.9,100 17.491,101 7.576,102 17.674,103 10.62,104 2,105 43,106 0.227,107 0.505,108 0.639,109 0.763,110 0.793,111 0.809,112 3.306,113 0.881,114 -5.59,115 -5.46,116 -5.09,121 52.3,123 1,129 1,144 13,145 6,146 1,159 1,172 1,176 20,180 2,185 4,187 28,192 3,197 5,200 27,206 6,211 5,214 21,219 7,224 4,227 19,232 2,236 1,237 6,239 18,247 1,249 2,251 19,261 1,264 20,274 2,277 14,281 994,282 18.154,283 18.154,284 18.154,285 18.154,286 18.154,287 15.359,288 12.069,289 10.702,290 18.265,291 14.857,292 14.857,293 14.857,294 14.857,295 14.857,296 10.736,297 16.495,298 5.113,299 15.044,300 4.116,301 2.477,302 1.684,303 0.955,304 0.773,305 0.682,306 4.023,311 1,312 1,313 563,314 2.121,317 54.013,318 221.273,322 170.985,325 1.456,326 14.438,328 1,329 0.75,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.84,337 54,338 248,339 4.747,340 3.447,341 6.999,342 4.3,343 3.305,344 4.763,345 0.782,346 11.975,347 3.291,348 4.17,349 3.138,350 6.185,351 3.879,352 2.895,353 3.798,354 0.522,355 9.223,356 2.848,357 4.032,358 2.729,359 5.982,360 3.532,361 2.532,362 3.69,364 8.37,365 2.532,366 3.902,367 2.532,368 5.741,369 3.459,370 2.479,371 3.373,373 7.752,374 2.429,375 3.565,376 2.511,377 5.066,378 3.2,379 2.232,380 2.879,382 6.125,383 2.151,384 3.244,385 1.914,386 4.856,387 2.757,388 1.774,389 2.516,391 5.263,392 1.74,393 3.002,394 1.523,395 4.204,396 2.51,397 1.512,398 2.243,400 3.576,401 1.509,402 2.847,403 1.41,404 4.116,405 2.347,406 1.347,407 2.021,409 3.329,410 1.347,411 2.747,412 1.347,413 3.713,414 2.247,415 1.247,416 1.87,418 3.092,419 1.247,420 2.5,421 1.247,422 3.594,423 2.169,424 1.201,425 1.5,427 2.902,428 1.159,429 2.498,430 1,431 3.414,432 2,433 1,434 1.476,436 2.275,437 1,438 2.071,439 0.95,440 3.378,441 1.694,442 0.708,443 0.86,445 1.725,446 0.697,447 1.727,448 0.593,449 3.253,450 1.497,451 0.504,452 0.637,454 1.278,455 0.5,456 1.266,457 0.176,458 2.858,459 0.847,460 -0.14,461 -0.182,463 -0.36,464 -0.136,465 1.088,466 -0.128,467 2.46,468 0.699,469 -0.248,470 -0.326,472 -0.618,473 -0.234,474 12.633,475 0.486,476 0.551,477 0.021,478 37.75,479 1.452,480 22,481 0.846,482 15.75,483 0.606,484 18.217,485 0.701,486 25.167,487 0.572,488 26.356,489 1.014,490 7.494,491 0.288,492 5.299,493 0.204,494 0.026,496 0.356,501 0.849,502 0.779,503 0.763,504 0.766,505 0.936,506 0.761,507 0.721,508 1.066,509 0.877,510 0.99,511 0.638,512 0.952,513 0.978,514 0.995,515 0.997,516 0.974,517 0.899,518 0.982,519 0.834,520 1.149,521 0.984,522 1.045,523 0.768,524 1.031,525 0.757,526 1.159,527 0.957,528 1.006,529 0.529,530 0.99,531 0.997,532 1.127,533 1.138,534 1.073,535 0.858,536 1.1,537 1.152,538 0.857,539 1.111,540 0.934,541 1.104,542 1,543 0.441,544 0.733,545 0.844,546 0.854,547 0.435,548 0.878,549 4,550 0.124,551 2.889,552 1.563,553 1.632,554 0.695,555 0.567,556 0.291,557 0.115,558 0.116,559 8029,560 19110,561 2.241,562 40.9,564 14,567 2,568 2,572 1.695,573 2.167,574 3.189,575 0.137,582 59.114,583 1.344,584 2.983,585 3.775,586 4.505,587 4.687,588 4.778,589 2.632,590 3.854,591 4.671,592 3.353,593 1089.58,594 8.116,595 13002,597 1,600 240.215,601 1.142,602 4.66,603 0.133,604 0.01,605 0.067,606 0.036,607 0.039,608 0.017,609 0.017,610 0.011,611 0.005,612 0.006,613 0.34,614 0.67,615 0.75,616 0.362,617 124.64,618 0.021,619 0.209,620 0.037,621 0.129,622 -0.106,623 0.089,624 -0.028,625 -0.088,626 -0.053,627 -0.079,628 -0.012,629 -0.069,630 -0.095,631 -0.009,632 -0.074,633 -0.023,634 -0.06,635 -0.042,636 -0.032,637 -0.159,638 -0.045,639 -0.089,640 -0.045,641 -0.075,642 -0.008,643 -0.117,644 0.006,645 -0.057,646 0.019,647 -0.03,648 -0.011,649 -0.077,650 -0.154,651 -0.126,652 -0.048,653 -0.147,654 -0.039,655 0.145,656 -0.072,657 0.061,658 -0.035,659 0.006,660 0.053,661 0.196,662 0.166,663 0.183,664 0.099,665 0.188,666 1.382,667 3.517,668 0.962,669 20.71,670 0.991,671 1.103,672 4.357,673 18.985,674 0.717,675 3.434,676 3.784,677 4.127,678 4.466,679 4.771,680 4.905,681 5.094,682 5.263,683 5.389,684 5.407,685 5.635,686 0.681,687 338.43,688 3.434,689 4.99,690 5.872,691 6.774,692 7.676,693 8.587,694 9.498,695 10.413,696 11.328,697 12.245,698 4.5,700 1,707 1,714 4,715 13,720 3,722 22,738 1,741 44,743 23,744 4,745 30,747 48,748 23,749 20,750 7,751 13,756 5,757 8,759 1,767 2,770 2,772 21,773 2,777 1,785 1,786 1,790 1,793 18,794 3,795 2,796 3,802 2,808 0.6,809 1,828 1,829 4,833 2,859 3,868 26,875 1,876 1,877 1,880 1,893 2.3,895 1,901 12,902 7.817,903 5.583,904 2.643,907 4.903,908 1.608,909 1.048,910 3.561,911 12.97,912 3.761,913 4.443,914 5.127,915 5.816,916 6.493,917 6.892,918 7.397,919 7.893,920 8.331,921 8.547,922 1,923 44,924 9.583,926 4.197,927 0.026,929 7.564,931 18.69,933 16.164,936 2.064,937 53.667,940 1,941 188.338,942 145.146,943 34.551,945 42.683,948 145.146,949 231.021,950 34.551,952 2.535,953 141.079,954 45.44,955 33.326,957 188.338,959 188.338,960 179.697,961 42.683,964 188.338,965 42.683,968 37.086,969 142.611,972 188.338,973 77.235,974 145.146,977 188.338,978 21.954,979 123.191,980 17.888,981 59.346,982 188.338,983 77.235,984 145.146,986 0.584,987 0.349,988 0.202,989 0.119,990 24,991 9,992 0.042,993 2,994 2,995 1.16,996 3.812,997 240.094,998 0.16,999 25,1000 106.211,1005 15.27,1006 6.064,1007 2.622,1008 4.935,1009 77.235,1010 26.586,1015 2.631,1017 60.572,1018 410.718,1019 42,1027 4.691,1028 1.08,1031 43.6,1032 48.528,1034 0.246,1035 0.546,1036 0.692,1037 0.825,1038 0.858,1039 0.875,1040 4.994,1041 1.347,1042 5.855,1043 3.576,1044 4.466,1045 5.13,1046 1.018,1047 6.706,1048 4.443,1049 6.223,1050 1.247,1051 7.428,1052 3.329,1053 4.007,1054 4.945,1056 7.673,1057 3.963,1058 7.547,1059 1.201,1060 9.106,1061 3.092,1062 6.084,1063 7.443,1064 0.64,1065 10.834,1066 6.043,1067 8.912,1068 1,1069 10.847,1070 2.902,1071 6.494,1072 8.138,1074 12.681,1075 6.437,1076 10.31,1077 0.708,1078 12.631,1079 2.275,1080 8.007,1081 10.07,1082 0.405,1083 15.361,1084 7.953,1085 11.734,1086 0.504,1087 14.445,1088 1.725,1089 8.821,1090 11.198,1092 17.57,1093 8.757,1094 13.178,1095 -0.14,1096 16.28,1097 1.278,1098 10.113,1099 12.896,1100 0.256,1101 20.102,1102 10.05,1103 3.305,1104 -0.248,1105 18.133,1106 -0.36,1107 11.12,1108 14.244,1110 22.465,1111 11.051,1112 2.895,1113 11.975,1114 19.999,1115 -0.618,1116 12.328,1117 15.846,1118 0.161,1119 24.953,1120 12.258,1121 2.532,1122 9.223,1123 21.875,1124 4.763,1125 13.426,1126 17.302,1128 27.383,1129 13.352,1130 2.479,1131 8.37,1132 23.761,1133 3.798,1134 14.607,1135 18.869,1136 0.101,1137 29.861,1138 14.531,1139 2.232,1140 7.752,1141 25.655,1142 3.69,1143 15.748,1144 20.378,1146 32.318,1147 15.669,1148 1.774,1149 6.125,1150 27.555,1151 3.373,1152 16.923,1153 21.934,1154 0.063,1155 34.796,1156 16.842,1157 1.512,1158 5.263,1159 29.461,1160 2.879,1161 18.086,1162 23.468,1164 37.266,1165 18.002,1166 7359,1167 11444,1168 20.978,1169 31.557,1170 45.703,1171 45.751,1172 46.467,1173 45.531,1174 45.474,1175 63.252,1176 2.608,1177 133.768,1178 44.902,1179 5.632,1180 5.447,1181 6.685,1182 5.306,1183 5.305,1184 7.763,1185 1.565,1186 19.506,1187 5.291,1188 6.834,1189 1.523,1190 1.525,1191 1.549,1192 1.518,1193 1.516,1194 2.108,1195 0.087,1196 4.459,1197 1.497,1198 4.187,1199 4.205,1200 4.153,1201 4.155,1202 6.471,1203 4.152,1204 3.944,1205 3.976,1206 3.883,1207 3.869,1208 4.992,1209 3.868,1210 3.758,1211 3.788,1212 3.686,1213 3.707,1214 4.745,1215 3.698,1216 3.653,1217 3.707,1218 3.582,1219 3.499,1220 4.615,1221 3.511,1222 3.186,1223 3.232,1224 3.082,1225 3.106,1226 4.535,1227 3.094,1228 3.118,1229 3.155,1230 3.033,1231 3.036,1232 4.002,1233 3.03,1234 2.879,1235 2.925,1236 2.786,1237 2.735,1238 3.864,1239 2.715,1240 2.854,1241 2.914,1242 2.687,1243 2.7,1244 3.674,1245 2.712,1246 0.158,1247 0.115,1248 0.233,1249 0.143,1250 0.11,1251 4.747,1252 0.159,1253 3.447,1254 0.026,1255 6.999,1256 0.399,1257 4.3,1258 0.11,1259 3.305,1260 4.763,1261 0.782,1262 11.975,1263 3.291,1264 2.16,1265 2.146,1266 2.221,1267 2.198,1268 1.409,1269 2.207,1270 1.906,1271 1.883,1272 2.017,1273 1.997,1274 1.209,1275 2.004,1276 1.772,1277 1.744,1278 1.902,1279 1.849,1280 0.978,1281 1.869,1282 1.469,1283 1.427,1284 1.658,1285 1.609,1286 0.883,1287 1.627,1288 1.26,1289 1.204,1290 1.421,1291 1.531,1292 0.516,1293 1.493,1294 1.187,1295 1.143,1296 1.372,1297 1.311,1298 0.457,1299 1.34,1300 0.936,1301 0.871,1302 1.181,1303 1.128,1304 0.247,1305 1.151,1306 0.886,1307 0.821,1308 1.164,1309 1.062,1310 0.218,1311 1.107,1312 4.111,1314 5.451,1315 2.398,1316 7.002,1317 4.595,1318 8.652,1319 6.605,1320 10.356,1327 9.517,1328 0.822,1329 3.277,1332 0.128,1340 29.972,1341 59.114,1342 131.249,1343 166.109,1344 198.215,1345 206.215,1346 210.215,1347 31.271,1348 8.067,1349 44.62,1350 44.62,1351 29,1352 12.756,1353 4.585,1354 3.7,1355 33.757,1356 85,1357 106,1358 0.192,1359 179.811,1360 302.81,1361 430.498,1362 37188,1364 17.51,1365 0.673,1366 0.546,1367 17.51,1368 14.184,1369 12.793,1370 0.426,1371 0.294,1372 8.766,1373 12.591,1374 8.578,1375 7.077,1376 12.793,1377 8.813,1378 11.583,1379 0.269,1380 0.157,1381 11.583,1382 6.73,1383 10.315,1384 0.169,1385 0.084,1386 10.315,1387 5.108,1388 9.065,1389 0.105,1390 0.044,1391 9.065,1392 3.822,1393 7.883,1394 0.067,1395 0.024,1396 7.883,1397 2.788,1398 0.292,1399 78.243,1400 0.218,1401 24.601,1402 0.553,1403 146,1404 338.128,1405 151.545,1406 343.516,1407 490.02,1408 324,1409 177,1410 378.2,1411 182.741,1412 389.334,1413 572.21,1414 370,1415 7}
{0 CHEMBL2314726,1 1.502,2 13.75,3 3.307,4 10.936,5 121.459,6 7.276,7 0.343,8 4.189,9 4.295,10 3.731,11 3.702,12 5.278,13 3.689,14 4.747,15 4.906,16 4.077,17 4.095,18 5.811,19 4.058,20 5.02,21 5.217,22 4.184,23 4.252,24 6.053,25 4.187,26 5.11,27 5.335,28 4.101,29 4.213,30 6.134,31 4.134,32 5.071,33 5.301,34 4.078,35 4.155,36 6.203,37 4.079,38 4.978,39 5.188,40 3.997,41 4.143,42 6.025,43 4.057,44 5.014,45 5.242,46 3.949,47 4.126,48 6.05,49 4.029,50 4.899,51 5.115,52 3.867,53 4.024,54 6.002,55 3.93,56 0.047,57 0.819,58 12.681,59 5.831,60 8.565,61 7.338,62 0.387,63 1.325,64 24.643,65 9.681,66 39.681,67 12.604,68 0.507,69 1.687,70 33.698,71 12.411,72 50.684,73 16.874,74 0.609,75 1.754,76 38.735,77 12.868,78 71.175,79 17.755,80 0.907,81 1.646,82 38.133,83 12.378,84 109.992,85 17.032,86 0.562,87 1.536,88 33.321,89 11.952,90 65.625,91 16.08,92 0.662,93 1.539,94 35.643,95 12.401,96 80.205,97 16.788,98 0.603,99 1.403,100 31.218,101 10.839,102 74.966,103 14.734,104 21,105 48,106 0.243,107 0.581,108 0.758,109 0.849,110 0.861,111 0.867,112 3.502,113 0.93,114 -3.97,115 -3.92,116 -3.72,121 41.7,123 4,124 1,126 2,127 1,129 1,137 1,140 1,144 7,145 2,146 3,160 2,176 12,179 1,180 5,183 1,185 5,187 12,191 1,192 8,195 2,197 7,200 7,205 1,206 6,211 5,214 3,218 3,219 6,222 1,223 1,224 3,227 9,231 1,232 5,235 1,239 13,243 1,244 4,247 1,249 2,251 13,255 1,256 5,259 2,261 3,264 8,268 1,269 5,274 3,277 4,281 1824,282 21.911,283 21.911,284 21.911,285 21.911,286 21.911,287 20.006,288 30.018,289 12.942,290 22.434,291 17.169,292 17.169,293 17.169,294 17.169,295 17.169,296 14.054,297 41.736,298 6.018,299 17.797,300 4.405,301 2.324,302 1.232,303 0.671,304 0.592,305 0.558,306 4.199,311 1,312 1,313 949,314 3.536,318 404.659,322 153.5,325 2.188,326 36.902,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 70,338 440,339 4.471,340 3.784,341 6.426,342 4.075,343 3.112,344 4.137,345 1.907,346 10.05,347 2.994,348 4.133,349 3.644,350 6.148,351 3.871,352 2.882,353 3.521,354 1.674,355 9.046,356 2.85,357 3.935,358 3.232,359 5.994,360 3.67,361 2.708,362 3.446,363 0.86,364 8.532,365 2.594,366 3.888,367 2.829,368 5.694,369 3.525,370 2.534,371 3.109,372 0.86,373 7.468,374 2.51,375 3.594,376 2.699,377 5.39,378 3.29,379 2.323,380 2.868,381 0.657,382 7.057,383 2.24,384 3.386,385 2.554,386 5.207,387 3.173,388 2.189,389 2.438,390 0.149,391 6.496,392 2.133,393 3.203,394 2.265,395 4.809,396 2.796,397 1.854,398 2.38,400 5.404,401 1.731,402 2.919,403 2.104,404 4.336,405 2.532,406 1.549,407 2.076,409 4.039,410 1.521,411 2.809,412 1.907,413 4.048,414 2.428,415 1.465,416 1.798,418 3.349,419 1.407,420 2.535,421 1.58,422 3.637,423 2.282,424 1.324,425 1.5,427 3.104,428 1.251,429 2.5,430 1.508,431 3.506,432 2.043,433 1.057,434 1.483,436 2.506,437 1.033,438 2.133,439 1.214,440 3.405,441 2,442 1,443 1.106,445 2.136,446 1,447 2.045,448 1.035,449 3.247,450 1.678,451 0.729,452 0.899,454 1.645,455 0.678,456 1.712,457 1,458 3.077,459 1.553,460 0.599,461 0.652,463 1.396,464 0.57,465 1.499,466 0.791,467 2.863,468 1.235,469 0.385,470 0.416,472 0.532,473 0.324,474 14.967,475 0.468,476 0.691,477 0.022,478 38.5,479 1.203,480 18,481 0.563,482 20.5,483 0.641,484 29.365,485 0.918,486 35.433,487 0.591,488 30.782,489 0.962,490 7.637,491 0.239,492 7.93,493 0.248,494 0.111,496 0.334,501 0.787,502 1.27,503 0.797,504 1.155,505 0.575,506 1,507 0.909,508 1.1,509 0.902,510 1.019,511 0.589,512 0.966,513 0.81,514 1.153,515 0.934,516 1.1,517 0.785,518 1.046,519 1.066,520 1.102,521 1.014,522 1.035,523 1.169,524 1.01,525 0.992,526 0.872,527 0.94,528 0.866,529 1.083,530 0.883,531 0.996,532 1.042,533 1.044,534 1.067,535 1.194,536 1.064,537 1.059,538 0.952,539 1.007,540 0.955,541 1.314,542 0.974,543 1.005,544 1.068,545 1.078,546 1.072,547 1.384,548 1.088,549 6.5,550 0.161,551 3.333,552 1.688,553 2.222,554 1.021,555 0.671,556 0.547,557 0.328,558 0.217,559 15221,560 39204,561 2.082,562 46.7,563 4,564 17,567 2,568 1,569 4,572 1.742,573 1.959,574 3.737,575 0.177,577 1,582 90.101,583 1.502,584 3.582,585 4.675,586 5.236,587 5.315,588 5.348,589 3.23,590 4.539,591 4.969,592 3.9,593 1934.28,594 8.68,595 29026.8,597 1,600 354.413,601 1.366,602 4.936,603 0.186,604 0.006,605 0.069,606 0.033,607 0.049,608 0.023,609 0.016,610 0.014,611 0.009,612 0.007,613 0.414,614 0.33,615 1,616 0.781,617 170.283,618 -0.038,619 -0.078,620 0.053,621 -0.047,622 -0.015,623 0.012,624 0.032,625 -0.004,626 0.024,627 0.02,628 0.081,629 0.02,630 0.078,631 -0.098,632 0.013,633 -0.098,634 0.046,635 -0.062,636 -0.044,637 -0.099,638 -0.02,639 -0.079,640 -0.058,641 -0.047,642 0.123,643 0.11,644 0.078,645 0.08,646 0.148,647 0.073,648 -0.006,649 -0.041,650 -0.07,651 -0.077,652 -0.057,653 -0.083,654 -0.018,655 0.001,656 -0.009,657 0.024,658 -0.062,659 0.009,660 0.026,661 -0.077,662 -0.09,663 -0.096,664 -0.032,665 -0.115,666 2.257,667 5.935,668 0.688,669 36.688,670 1.005,671 1.124,672 2.738,673 7.496,674 0.653,675 3.584,676 3.892,677 4.159,678 4.394,679 4.663,680 4.691,681 4.82,682 4.942,683 5.03,684 5.004,685 7.89,686 0.624,687 436.55,688 3.584,689 5.118,690 5.964,691 6.832,692 7.695,693 8.567,694 9.438,695 10.313,696 11.188,697 12.065,698 3.3,700 1,705 1,715 7,720 5,722 12,739 2,741 60,743 15,744 2,745 35,747 63,748 25,749 12,750 5,751 7,752 3,756 4,757 5,767 5,768 1,770 5,772 16,773 9,774 1,777 3,782 2,784 1,786 3,790 1,793 28,794 7,795 2,796 7,802 2,808 0.75,809 5,829 4,833 1,843 1,846 1,849 2,853 1,859 3,864 2,868 32,876 5,877 2,878 3,880 2,893 8.3,896 2,898 3,901 16.333,902 11.167,903 7.194,904 3.59,907 2.474,908 1.312,909 0.959,910 7.254,911 10.395,912 3.807,913 4.331,914 4.836,915 5.321,916 5.852,917 6.016,918 6.317,919 6.608,920 6.82,921 6.746,922 1,923 51,924 11.912,926 5.095,927 0.026,929 7.781,931 22.707,933 18.688,936 2.281,937 73,940 1,941 306.049,942 146.574,943 36.022,945 83.29,948 146.574,949 389.338,950 36.022,951 21.766,952 30.255,953 93.821,954 64.943,955 55.101,957 306.049,959 306.049,960 182.596,961 83.29,964 258.964,965 130.374,968 48.265,969 122.097,970 12.233,972 306.049,973 119.311,974 146.574,977 306.049,978 48.998,979 97.576,980 36.022,981 83.29,982 306.049,983 119.311,984 146.574,986 0.574,987 0.343,988 0.184,989 0.104,990 22,991 10,992 0.111,993 7,994 1,995 1.091,996 4.36,997 285.75,998 0.091,999 22,1000 156,1005 22.529,1006 10.303,1007 5.407,1009 119.311,1010 13.541,1015 3.221,1017 36.022,1018 571.934,1019 44,1024 25.398,1026 1.62,1028 -0.606,1031 60.327,1032 67.441,1034 0.254,1035 0.606,1036 0.791,1037 0.886,1038 0.9,1039 0.905,1040 5.05,1041 1.549,1042 5.938,1043 5.404,1044 4.575,1045 5.017,1046 2.802,1047 6.725,1048 4.51,1049 6.226,1050 1.465,1051 7.483,1052 4.039,1053 4.111,1054 4.758,1055 1.593,1056 7.554,1057 4.033,1058 7.517,1059 1.324,1060 9.124,1061 3.349,1062 6.151,1063 7.098,1064 3.598,1065 10.628,1066 6.031,1067 8.84,1068 1.057,1069 10.82,1070 3.104,1071 6.494,1072 7.634,1073 3.032,1074 12.241,1075 6.351,1076 10.193,1077 1,1078 12.551,1079 2.506,1080 7.987,1081 9.468,1082 4.63,1083 14.819,1084 7.814,1085 11.567,1086 0.729,1087 14.304,1088 2.136,1089 8.71,1090 10.386,1091 4.409,1092 16.772,1093 8.506,1094 12.957,1095 0.599,1096 16.073,1097 1.645,1098 9.973,1099 12.003,1100 5.754,1101 19.164,1102 9.742,1103 3.112,1104 0.385,1105 17.853,1106 1.396,1107 10.886,1108 13.128,1109 5.75,1110 21.281,1111 10.619,1112 2.882,1113 10.05,1114 19.643,1115 0.532,1116 12.049,1117 14.639,1118 6.921,1119 23.601,1120 11.756,1121 2.708,1122 9.046,1123 21.439,1124 4.137,1125 13.058,1126 15.883,1127 7.068,1128 25.798,1129 12.728,1130 2.534,1131 8.532,1132 23.242,1133 3.521,1134 14.182,1135 17.341,1136 8.115,1137 28.091,1138 13.822,1139 2.323,1140 7.468,1141 25.049,1142 3.446,1143 15.239,1144 18.655,1145 8.374,1146 30.331,1147 14.842,1148 2.189,1149 7.057,1150 26.86,1151 3.109,1152 16.349,1153 20.088,1154 9.328,1155 32.616,1156 15.92,1157 1.854,1158 6.496,1159 28.676,1160 2.868,1161 17.432,1162 21.443,1163 9.674,1164 34.879,1165 16.965,1166 14474,1167 23460,1168 23.463,1169 39.182,1170 51.941,1171 54.208,1172 53.291,1173 51.376,1174 51.501,1175 63.756,1176 12.215,1177 145.682,1178 49.749,1179 5.471,1180 5.784,1181 6.228,1182 5.169,1183 5.112,1184 7.137,1185 3.581,1186 16.879,1187 4.994,1188 15.111,1189 1.484,1190 1.549,1191 1.523,1192 1.468,1193 1.471,1194 1.822,1195 0.349,1196 4.162,1197 1.421,1198 4.019,1199 4.041,1200 3.979,1201 3.915,1202 7.436,1203 3.926,1204 3.935,1205 3.964,1206 3.855,1207 3.855,1208 7.425,1209 3.851,1210 3.856,1211 3.894,1212 3.76,1213 3.761,1214 4.962,1215 3.753,1216 3.602,1217 3.626,1218 3.549,1219 3.416,1220 4.759,1221 3.445,1222 3.385,1223 3.441,1224 3.292,1225 3.178,1226 4.567,1227 3.191,1228 3.267,1229 3.332,1230 3.11,1231 3.065,1232 4.497,1233 3.064,1234 3.248,1235 3.314,1236 3.061,1237 2.953,1238 4.336,1239 2.965,1240 3.138,1241 3.203,1242 2.977,1243 2.902,1244 4.109,1245 2.903,1246 0.128,1247 0.108,1248 0.184,1249 0.116,1250 0.089,1251 4.471,1252 0.118,1253 3.784,1254 0.054,1255 6.426,1256 0.287,1257 4.075,1258 0.086,1259 3.112,1260 4.137,1261 1.907,1262 10.05,1263 2.994,1264 1.94,1265 1.925,1266 2.102,1267 2.074,1268 1.488,1269 2.082,1270 1.921,1271 1.891,1272 2.027,1273 2.034,1274 1.15,1275 2.023,1276 1.862,1277 1.822,1278 1.987,1279 1.969,1280 1.123,1281 1.988,1282 1.506,1283 1.483,1284 1.65,1285 1.734,1286 0.847,1287 1.704,1288 1.33,1289 1.269,1290 1.587,1291 1.574,1292 0.832,1293 1.579,1294 1.234,1295 1.171,1296 1.575,1297 1.524,1298 0.648,1299 1.539,1300 1.191,1301 1.116,1302 1.535,1303 1.488,1304 0.611,1305 1.502,1306 1.117,1307 1.04,1308 1.427,1309 1.359,1310 0.574,1311 1.384,1312 4.263,1314 5.572,1316 7.084,1318 8.687,1320 10.338,1322 3.055,1328 4.325,1329 6.347,1330 15.986,1332 0.113,1340 37.465,1341 90.101,1342 214.948,1343 280.497,1344 314.149,1345 318.904,1346 320.904,1347 68.306,1348 7.921,1349 89.8,1350 89.8,1351 24,1352 12.604,1353 4,1354 3.322,1355 52.062,1356 152,1357 156,1358 0.165,1359 228.229,1360 412.01,1361 548.638,1362 34062,1364 22.501,1365 0.703,1366 0.573,1367 22.501,1368 18.35,1369 15.567,1370 0.445,1371 0.31,1372 10.674,1373 14.881,1374 10.412,1375 8.652,1376 15.567,1377 10.851,1378 13.624,1379 0.284,1380 0.169,1381 13.624,1382 8.109,1383 11.688,1384 0.186,1385 0.095,1386 11.688,1387 5.979,1388 9.473,1389 0.118,1390 0.053,1391 9.473,1392 4.24,1393 8.054,1394 0.077,1395 0.029,1396 8.054,1397 3.096,1398 0.265,1399 98.468,1400 0.206,1401 30.321,1402 0.437,1403 166,1404 515.343,1405 184.278,1406 482,1407 650.16,1408 452,1409 194,1410 467.298,1411 212.503,1412 471.045,1413 686.57,1414 440,1415 7.367}
{0 CHEMBL2323351,1 1.526,2 14.724,3 2.747,4 7.544,5 114.74,6 6.957,7 0.387,8 4.124,9 4.251,10 3.63,11 3.589,12 5.194,13 3.57,14 4.668,15 4.866,16 3.903,17 3.938,18 5.649,19 3.899,20 4.869,21 5.075,22 3.962,23 4.104,24 5.864,25 4.016,26 4.99,27 5.249,28 3.859,29 4.09,30 5.843,31 3.963,32 4.97,33 5.235,34 3.775,35 3.995,36 5.892,37 3.882,38 4.827,39 5.085,40 3.667,41 3.914,42 5.787,43 3.782,44 4.763,45 5.054,46 3.537,47 3.779,48 5.635,49 3.642,50 4.543,51 4.799,52 3.481,53 3.62,54 5.535,55 3.528,56 0.036,57 0.825,58 12.831,59 5.101,60 10.258,61 7.049,62 0.338,63 1.26,64 24.246,65 7.454,66 28.593,67 10.963,68 0.505,69 1.493,70 29.65,71 10.154,72 46.054,73 14.614,74 0.277,75 1.552,76 34.195,77 11.473,78 37.763,79 17.16,80 0.549,81 1.458,82 34.787,83 9.948,84 58.363,85 15.162,86 0.472,87 1.325,88 29.414,89 9.183,90 51.821,91 13.989,92 0.364,93 1.187,94 28.075,95 8.488,96 42.337,97 13.222,98 0.373,99 0.983,100 22.349,101 6.398,102 42.19,103 9.853,104 14,105 40,106 0.252,107 0.54,108 0.689,109 0.77,110 0.795,111 0.824,112 3.407,113 0.939,114 -3.14,115 -3.14,116 -3.02,121 38.6,126 2,127 6,144 8,145 2,146 2,157 1,160 1,172 1,176 9,180 4,183 1,187 8,191 4,192 8,195 1,197 1,200 4,205 1,206 5,211 2,218 1,219 3,224 1,231 2,232 5,235 2,243 1,244 5,247 1,255 1,256 3,261 1,268 2,269 4,274 2,281 1489,282 19.963,283 19.963,284 19.963,285 19.963,286 19.963,287 18.151,288 23.613,289 12.115,290 20.564,291 15.208,292 15.208,293 15.208,294 15.208,295 15.208,296 12.427,297 28.085,298 5.637,299 15.952,300 4.306,301 2.554,302 1.654,303 1.163,304 1.009,305 0.834,306 4.093,311 1,312 1,313 904,314 3.606,318 345.768,325 2.442,326 21.68,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 63,338 427,339 4.272,340 3.605,341 6.165,342 3.852,343 2.899,344 3.925,345 1.94,346 9.124,347 2.763,348 3.943,349 3.196,350 5.634,351 3.69,352 2.745,353 3.457,354 0.916,355 7.834,356 2.608,357 3.789,358 3.042,359 5.441,360 3.527,361 2.55,362 3.02,363 0.86,364 7.282,365 2.487,366 3.63,367 2.698,368 5.253,369 3.276,370 2.306,371 2.876,372 0.86,373 6.645,374 2.22,375 3.464,376 2.482,377 5.033,378 3.191,379 2.215,380 2.541,381 0.809,382 6.091,383 2.147,384 3.077,385 2.315,386 4.739,387 2.864,388 1.922,389 2.156,390 0.172,391 5.275,392 1.797,393 2.919,394 2.177,395 4.366,396 2.521,397 1.609,398 2.057,400 4.126,401 1.461,402 2.813,403 1.646,404 3.592,405 2.409,406 1.416,407 1.892,409 3.039,410 1.403,411 2.691,412 1.52,413 3.421,414 2.089,415 1.12,416 1.586,418 2.441,419 1.078,420 2.5,421 1.146,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2,430 1.063,431 3.247,432 1.967,433 1,434 1,436 2.136,437 0.965,438 1.898,439 1,440 3.044,441 1.593,442 0.688,443 0.805,445 1.265,446 0.615,447 1.471,448 0.935,449 2.906,450 1.241,451 0.361,452 0.39,454 0.654,455 0.309,456 1.378,457 0.819,458 2.71,459 1.191,460 0.252,461 0.274,463 0.464,464 0.238,465 1.187,466 0.464,467 2.504,468 0.887,469 -0.07,470 -0.081,472 -0.152,473 -0.067,474 13.6,475 0.469,476 0.499,477 0.017,478 34.75,479 1.198,480 16,481 0.552,482 18.75,483 0.647,484 23.499,485 0.81,486 32.6,487 0.572,488 26.367,489 0.909,490 7.55,491 0.26,492 6.624,493 0.228,494 0.098,496 0.243,501 0.805,502 1.481,503 0.843,504 1.278,505 0.593,506 1.096,507 1.312,508 1.02,509 1.027,510 0.868,511 0.769,512 0.881,513 0.893,514 1.09,515 1.115,516 1.14,517 0.961,518 1.158,519 0.771,520 1.156,521 0.937,522 1.14,523 0.66,524 1.076,525 1.31,526 0.948,527 1.066,528 0.866,529 1.497,530 0.917,531 0.838,532 1.044,533 1.071,534 1.058,535 1.332,536 1.093,537 0.775,538 0.92,539 0.868,540 0.891,541 1.069,542 0.886,543 1.098,544 0.965,545 0.995,546 0.883,547 1.438,548 0.901,549 5.5,550 0.136,551 2.222,552 1.375,553 1.307,554 0.569,555 0.402,556 0.307,557 0.246,558 0.137,559 12937,560 32573,561 2.053,562 49.1,564 26,566 1,567 1,572 1.71,573 1.955,574 3.828,575 -0.336,576 1,577 1,582 87.006,583 1.526,584 3.279,585 4.179,586 4.67,587 4.824,588 4.999,589 3.28,590 4.582,591 4.83,592 4.021,593 1632.4,594 8.361,595 24532.3,597 1,599 1,600 332.475,601 1.233,602 4.804,603 0.177,604 0.006,605 0.056,606 0.034,607 0.037,608 0.018,609 0.014,610 0.012,611 0.01,612 0.005,613 0.371,614 0.33,615 1,616 0.772,617 153.428,618 0.031,619 -0.214,620 0.07,621 -0.141,622 0.027,623 -0.049,624 -0.163,625 0.122,626 -0.035,627 0.123,628 -0.018,629 0.078,630 0.095,631 0.008,632 -0.151,633 -0.119,634 0.039,635 -0.168,636 0.024,637 -0.184,638 0.022,639 -0.148,640 0.064,641 -0.076,642 -0.145,643 0.003,644 -0.047,645 0.058,646 -0.156,647 0.025,648 0.068,649 -0.041,650 -0.093,651 -0.101,652 -0.055,653 -0.124,654 0.059,655 0.015,656 0.117,657 0.04,658 0.002,659 0.082,660 -0.003,661 0.032,662 0.014,663 0.047,664 -0.006,665 0.043,666 1.779,667 5.173,668 0.621,669 35.208,670 1,671 1.133,672 1.912,673 3.655,674 0.641,675 3.466,676 3.714,677 3.912,678 4.094,679 4.263,680 4.174,681 4.22,682 4.248,683 4.263,684 4.263,685 8.576,686 0.606,687 396.54,688 3.466,689 4.963,690 5.771,691 6.605,692 7.426,693 8.262,694 9.087,695 9.924,696 10.751,697 11.588,698 7,701 2,705 1,707 1,715 8,720 4,722 12,739 2,741 57,743 14,744 2,745 31,747 59,748 22,749 12,750 4,751 8,752 1,756 3,757 3,759 1,772 14,773 8,777 2,782 1,784 1,785 1,786 1,790 1,793 28,794 7,795 1,796 7,802 4,808 1,809 3,829 3,855 2,859 3,864 2,868 29,876 6,877 1,878 2,881 2,893 5.3,896 1,898 2,901 14.833,902 10.6,903 6.694,904 3.189,907 2.469,908 1.344,909 0.946,910 8.051,911 9.655,912 3.689,913 4.159,914 4.605,915 5.059,916 5.495,917 5.488,918 5.653,919 5.742,920 5.9,921 6.05,922 0.9,923 40,924 10.695,926 4.307,927 0.026,929 7.667,931 20.621,933 16.136,936 2.167,937 62.833,940 1,941 317.82,942 140.82,943 40.8,945 47.145,948 140.82,949 364.964,950 40.8,951 21.766,952 30.522,953 75.81,954 50.668,955 61.769,957 306.049,959 317.82,960 181.62,961 47.145,964 317.82,965 47.145,968 53.434,969 119.139,970 9.047,972 317.82,973 87.945,974 140.82,977 317.82,978 34.197,979 112.872,980 17.888,981 63.808,982 317.82,983 87.945,984 140.82,986 0.559,987 0.323,988 0.172,989 0.092,990 16,991 7,992 0.136,993 8,995 1,996 4.288,997 226.688,999 18,1000 130.127,1005 21.31,1006 10.956,1007 6.564,1009 87.945,1010 15.928,1015 3.414,1017 17.888,1018 546.585,1019 39,1024 12.173,1026 1.595,1027 4.051,1028 -0.113,1031 56.992,1032 64.604,1034 0.262,1035 0.562,1036 0.716,1037 0.801,1038 0.827,1039 0.857,1040 4.89,1041 1.416,1042 5.707,1043 4.126,1044 4.394,1045 4.844,1046 2.541,1047 6.412,1048 4.307,1049 6.032,1050 1.12,1051 7.197,1052 3.039,1053 3.761,1054 4.369,1055 1.738,1056 7.081,1057 3.633,1058 7.285,1059 1,1060 8.778,1061 2.441,1062 5.889,1063 6.853,1064 3.16,1065 10.102,1066 5.719,1067 8.568,1068 1,1069 10.415,1070 2.275,1071 6.066,1072 7.184,1073 3.111,1074 11.58,1075 5.841,1076 9.88,1077 0.688,1078 12.085,1079 2.136,1080 7.616,1081 9.139,1082 4.203,1083 14.08,1084 7.363,1085 11.211,1086 0.361,1087 13.78,1088 1.265,1089 8.192,1090 9.881,1091 4.507,1092 15.918,1093 7.876,1094 12.559,1095 0.252,1096 15.491,1097 0.654,1098 9.476,1099 11.584,1100 5.415,1101 18.223,1102 9.134,1103 2.899,1104 -0.07,1105 17.216,1106 0.464,1107 10.266,1108 12.563,1109 5.886,1110 20.239,1111 9.858,1112 2.745,1113 9.124,1114 18.951,1115 -0.152,1116 11.42,1117 14.126,1118 6.688,1119 22.468,1120 10.983,1121 2.55,1122 7.834,1123 20.695,1124 3.925,1125 12.325,1126 15.249,1127 7.245,1128 24.573,1129 11.824,1130 2.306,1131 7.282,1132 22.447,1133 3.457,1134 13.416,1135 16.729,1136 7.987,1137 26.776,1138 12.881,1139 2.215,1140 6.645,1141 24.205,1142 3.02,1143 14.384,1144 17.943,1145 8.59,1146 28.926,1147 13.788,1148 1.922,1149 6.091,1150 25.969,1151 2.876,1152 15.447,1153 19.373,1154 9.297,1155 31.122,1156 14.811,1157 1.609,1158 5.275,1159 27.738,1160 2.541,1161 16.449,1162 20.644,1163 9.926,1164 33.297,1165 15.755,1166 12491,1167 19965,1168 20.86,1169 36.523,1170 44.459,1171 45.664,1172 45.671,1173 44.086,1174 44.169,1175 54.961,1176 11.116,1177 117.301,1178 42.186,1179 5.272,1180 5.605,1181 5.967,1182 4.92,1183 4.899,1184 6.925,1185 3.404,1186 15.378,1187 4.763,1188 12.735,1189 1.434,1190 1.473,1191 1.473,1192 1.422,1193 1.425,1194 1.773,1195 0.359,1196 3.784,1197 1.361,1198 3.969,1199 4.014,1200 3.905,1201 3.874,1202 7.429,1203 3.874,1204 3.919,1205 3.943,1206 3.854,1207 3.839,1208 4.958,1209 3.84,1210 3.801,1211 3.857,1212 3.704,1213 3.618,1214 4.755,1215 3.631,1216 3.553,1217 3.612,1218 3.478,1219 3.291,1220 4.677,1221 3.328,1222 3.33,1223 3.387,1224 3.222,1225 3.101,1226 4.495,1227 3.122,1228 3.247,1229 3.314,1230 3.051,1231 2.968,1232 4.344,1233 2.967,1234 3.17,1235 3.254,1236 3.019,1237 2.951,1238 4.205,1239 2.958,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.858,1245 2.91,1246 0.138,1247 0.116,1248 0.199,1249 0.124,1250 0.094,1251 4.272,1252 0.127,1253 3.605,1254 0.063,1255 6.165,1256 0.294,1257 3.852,1258 0.089,1259 2.899,1260 3.925,1261 1.94,1262 9.124,1263 2.763,1264 1.923,1265 1.888,1266 2.062,1267 2.059,1268 1.331,1269 2.062,1270 1.892,1271 1.875,1272 1.982,1273 2.003,1274 1.12,1275 1.996,1276 1.76,1277 1.693,1278 1.953,1279 1.942,1280 1.082,1281 1.951,1282 1.439,1283 1.383,1284 1.626,1285 1.73,1286 0.825,1287 1.695,1288 1.259,1289 1.204,1290 1.576,1291 1.537,1292 0.804,1293 1.546,1294 1.191,1295 1.115,1296 1.571,1297 1.523,1298 0.606,1299 1.539,1300 1.153,1301 1.067,1302 1.513,1303 1.403,1304 0.581,1305 1.429,1306 1.139,1307 1.064,1308 1.417,1309 1.376,1310 0.574,1311 1.412,1312 4.143,1314 5.407,1316 6.864,1318 8.404,1320 9.984,1322 3.174,1328 4.965,1329 2.599,1330 10.477,1333 4.571,1340 34.552,1341 87.006,1342 186.887,1343 238.21,1344 266.21,1345 274.965,1346 284.965,1347 49.192,1348 7.186,1349 66.4,1350 66.4,1351 18,1352 12.158,1353 3.907,1354 3.17,1355 53.046,1356 151,1357 132,1358 0.166,1359 215.368,1360 379.53,1361 517.259,1362 14428,1364 20.476,1365 0.706,1366 0.586,1367 20.476,1368 17.005,1369 14.173,1370 0.457,1371 0.313,1372 9.51,1373 13.453,1374 9.231,1375 7.706,1376 14.173,1377 9.703,1378 11.914,1379 0.298,1380 0.174,1381 11.914,1382 6.945,1383 9.7,1384 0.198,1385 0.1,1386 9.7,1387 4.892,1388 7.763,1389 0.132,1390 0.056,1391 7.763,1392 3.298,1393 6.095,1394 0.087,1395 0.033,1396 6.095,1397 2.297,1398 0.276,1399 90.027,1400 0.219,1401 28.699,1402 0.417,1403 142,1404 434.475,1405 157.243,1406 410.095,1407 549.34,1408 386,1409 160,1410 386.052,1411 176.521,1412 393.496,1413 560.63,1414 364,1415 4.091}
{0 CHEMBL2323352,1 1.493,2 14.519,3 2.763,4 7.634,5 108.277,6 6.915,7 0.414,8 4.047,9 4.18,10 3.552,11 3.541,12 5.103,13 3.514,14 4.588,15 4.788,16 3.822,17 3.897,18 5.564,19 3.843,20 4.818,21 5.039,22 3.829,23 4.047,24 5.773,25 3.938,26 4.909,27 5.186,28 3.681,29 3.995,30 5.713,31 3.841,32 4.835,33 5.122,34 3.629,35 3.861,36 5.719,37 3.737,38 4.677,39 4.935,40 3.564,41 3.777,42 5.648,43 3.661,44 4.592,45 4.859,46 3.448,47 3.693,48 5.51,49 3.561,50 4.476,51 4.741,52 3.34,53 3.559,54 5.397,55 3.448,56 0.051,57 0.78,58 11.88,59 4.739,60 9.245,61 6.63,62 0.277,63 1.21,64 22.087,65 7.034,66 24.563,67 10.455,68 0.411,69 1.433,70 28.204,71 9.731,72 42.233,73 14.139,74 0.265,75 1.449,76 31.587,77 10.745,78 33.969,79 16.251,80 0.353,81 1.316,82 30.11,83 8.826,84 45.798,85 13.75,86 0.418,87 1.159,88 25.369,89 7.76,90 45.32,91 11.715,92 0.273,93 1.058,94 23.036,95 7.596,96 34.704,97 11.428,98 0.252,99 0.929,100 20.779,101 6.3,102 33.092,103 9.526,104 6,105 37,106 0.25,107 0.54,108 0.687,109 0.77,110 0.792,111 0.817,112 3.338,113 0.949,114 -3.41,115 -3.39,116 -3.25,121 39.6,126 1,127 6,144 9,145 2,146 1,157 1,160 1,172 1,176 10,180 4,183 1,187 10,191 3,192 6,195 1,197 1,200 5,205 1,206 5,211 2,219 3,224 2,231 2,232 5,235 1,243 1,244 6,247 1,256 4,261 1,268 1,269 4,274 2,281 1251,282 18.593,283 18.593,284 18.593,285 18.593,286 18.593,287 16.781,288 20.694,289 11.406,290 19.028,291 14.293,292 14.293,293 14.293,294 14.293,295 14.293,296 11.61,297 24.796,298 5.424,299 14.867,300 4.235,301 2.497,302 1.623,303 1.123,304 0.995,305 0.844,306 4.027,310 1,311 1,312 1,313 836,314 3.391,318 319.171,325 2.425,326 17.798,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 58,338 392,339 4.059,340 3.605,341 5.634,342 3.691,343 2.746,344 3.669,345 1.94,346 7.834,347 2.612,348 3.943,349 3.042,350 5.482,351 3.629,352 2.653,353 3.457,354 0.916,355 7.345,356 2.591,357 3.779,358 2.867,359 5.439,360 3.523,361 2.547,362 2.957,363 0.86,364 7.273,365 2.482,366 3.555,367 2.698,368 5.111,369 3.245,370 2.272,371 2.822,372 0.809,373 6.28,374 2.196,375 3.456,376 2.476,377 5.031,378 3.13,379 2.176,380 2.541,381 0.172,382 6.087,383 2.063,384 3.076,385 2.315,386 4.738,387 2.864,388 1.922,389 2.156,391 5.274,392 1.797,393 2.813,394 1.674,395 3.592,396 2.409,397 1.416,398 1.892,400 3.039,401 1.404,402 2.692,403 1.52,404 3.414,405 2.091,406 1.123,407 1.586,409 2.436,410 1.079,411 2.5,412 1.146,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.5,421 1.08,422 3.409,423 2,424 1,425 1.5,427 2.275,428 1,429 2,430 1,431 3.247,432 1.967,433 1,434 1,436 2.136,437 0.965,438 1.693,439 1,440 2.946,441 1.437,442 0.551,443 0.606,445 0.926,446 0.481,447 1.379,448 0.819,449 2.768,450 1.214,451 0.254,452 0.276,454 0.595,455 0.242,456 1.187,457 0.464,458 2.569,459 0.887,460 -0.07,461 -0.081,463 -0.15,464 -0.067,465 0.962,466 0.231,467 2.152,468 0.681,469 -0.315,470 -0.369,472 -0.745,473 -0.309,474 12.767,475 0.473,476 0.447,477 0.017,478 32.75,479 1.213,480 15.5,481 0.574,482 17.25,483 0.639,484 20.775,485 0.769,486 29.833,487 0.563,488 23.496,489 0.87,490 7.05,491 0.261,492 6.175,493 0.229,494 0.065,496 0.219,501 0.771,502 1.426,503 0.851,504 1.216,505 0.569,506 1.068,507 1.238,508 1.073,509 1.054,510 0.932,511 0.701,512 0.947,513 0.994,514 1.067,515 1.165,516 1.129,517 0.99,518 1.166,519 0.71,520 1.111,521 0.945,522 1.097,523 0.655,524 1.059,525 1.151,526 0.948,527 0.944,528 0.844,529 1.483,530 0.853,531 1.136,532 0.927,533 1.07,534 0.93,535 1.512,536 0.978,537 0.827,538 1.03,539 0.963,540 1.037,541 1.155,542 1.02,543 1.31,544 0.97,545 1.024,546 0.894,547 1.627,548 0.912,549 5,550 0.103,551 1.778,552 0.938,553 0.996,554 0.451,555 0.402,556 0.245,557 0.222,558 0.097,559 10959,560 26695,561 2.079,562 49.1,564 24,566 1,567 1,572 1.691,573 2,574 3.808,575 -0.346,576 1,577 1,582 79.13,583 1.493,584 3.231,585 4.105,586 4.605,587 4.733,588 4.883,589 3.3,590 4.06,591 4.724,592 3.984,593 1398.47,594 8.148,595 19945.8,597 1,599 1,600 303.58,601 1.117,602 4.711,603 0.172,604 0.005,605 0.048,606 0.027,607 0.034,608 0.016,609 0.015,610 0.011,611 0.011,612 0.004,613 0.344,614 0.5,615 1,616 0.63,617 139.839,618 0.053,619 -0.178,620 0.067,621 -0.105,622 0.029,623 -0.035,624 -0.129,625 0.08,626 -0.072,627 0.055,628 0.003,629 0.013,630 0.012,631 0.001,632 -0.196,633 -0.13,634 0.003,635 -0.187,636 0.04,637 -0.166,638 0.018,639 -0.121,640 0.05,641 -0.066,642 -0.096,643 -0.004,644 0.066,645 0.072,646 -0.115,647 0.092,648 0.01,649 0.069,650 -0.063,651 0.006,652 -0.07,653 -0.033,654 0.078,655 -0.063,656 0.016,657 -0.073,658 0.002,659 -0.043,660 -0.15,661 -0.006,662 -0.013,663 0.044,664 -0.157,665 0.038,666 1.753,667 5.074,668 0.667,669 32.864,670 0.996,671 1.132,672 2.184,673 4.771,674 0.647,675 3.401,676 3.638,677 3.807,678 3.97,679 4.159,680 4.06,681 4.111,682 4.143,683 4.174,684 4.174,685 8.298,686 0.61,687 366.51,688 3.401,689 4.89,690 5.687,691 6.509,692 7.317,693 8.141,694 8.953,695 9.777,696 10.592,697 11.417,698 7.5,701 2,705 1,707 1,715 9,720 3,722 12,739 1,741 53,743 14,744 2,745 29,747 55,748 21,749 12,750 3,751 9,752 1,756 3,757 3,759 1,772 14,773 7,777 2,782 1,784 1,785 1,786 1,790 1,793 26,794 6,795 1,796 6,802 4,808 1,809 2,829 3,855 2,859 3,864 1,868 27,876 6,877 1,878 1,881 2,893 3.8,896 1,898 1,901 13.5,902 9.517,903 6.167,904 3.029,907 2.412,908 1.343,909 0.958,910 7.254,911 9.436,912 3.638,913 4.094,914 4.511,915 4.949,916 5.386,917 5.31,918 5.473,919 5.554,920 5.766,921 5.914,922 0.9,923 35,924 9.962,926 4.026,927 0.026,929 7.636,931 19.312,933 15.244,936 2.136,937 57.667,940 1,941 294.278,942 134.17,943 40.8,945 36.145,948 134.17,949 330.422,950 40.8,951 10.883,952 30.522,953 85.286,954 50.668,955 45.526,957 282.506,959 294.278,960 174.97,961 36.145,964 294.278,965 36.145,968 53.434,969 112.489,970 9.047,972 294.278,973 76.945,974 134.17,977 294.278,978 28.953,979 111.465,980 17.888,981 52.808,982 294.278,983 76.945,984 134.17,986 0.559,987 0.312,988 0.16,989 0.088,990 15,991 6,992 0.127,993 7,995 1,996 4.185,997 203.203,999 18,1000 116.382,1005 19.399,1006 10.096,1007 6.383,1009 76.945,1010 17.986,1015 3.032,1017 17.888,1018 505.392,1019 37,1024 12.074,1026 1.634,1027 4.031,1028 -0.087,1031 52.781,1032 59.979,1034 0.261,1035 0.564,1036 0.717,1037 0.804,1038 0.826,1039 0.853,1040 4.828,1041 1.123,1042 5.609,1043 3.039,1044 4.317,1045 4.779,1046 2.417,1047 6.275,1048 4.245,1049 5.96,1050 1,1051 7.072,1052 2.436,1053 3.611,1054 4.182,1055 1.738,1056 6.823,1057 3.497,1058 7.198,1059 1,1060 8.622,1061 2.275,1062 5.778,1063 6.747,1064 3.113,1065 9.82,1066 5.632,1067 8.461,1068 1,1069 10.221,1070 2.275,1071 5.861,1072 6.917,1073 3.111,1074 11.14,1075 5.668,1076 9.751,1077 0.551,1078 11.85,1079 2.136,1080 7.449,1081 8.964,1082 4.19,1083 13.591,1084 7.234,1085 11.058,1086 0.254,1087 13.498,1088 0.926,1089 7.923,1090 9.521,1091 4.507,1092 15.249,1093 7.658,1094 12.378,1095 -0.07,1096 15.159,1097 0.595,1098 9.231,1099 11.308,1100 5.412,1101 17.475,1102 8.946,1103 2.746,1104 -0.315,1105 16.829,1106 -0.15,1107 9.921,1108 12.098,1109 5.886,1110 19.305,1111 9.587,1112 2.653,1113 7.834,1114 18.506,1115 -0.745,1116 11.081,1117 13.727,1118 6.688,1119 21.426,1120 10.724,1121 2.547,1122 7.345,1123 20.187,1124 3.669,1125 11.896,1126 14.669,1127 7.245,1128 23.348,1129 11.491,1130 2.272,1131 7.273,1132 21.871,1133 3.457,1134 12.975,1135 16.194,1136 7.987,1137 25.419,1138 12.544,1139 2.176,1140 6.28,1141 23.559,1142 2.957,1143 13.864,1144 17.241,1145 8.59,1146 27.391,1147 13.385,1148 1.922,1149 6.087,1150 25.25,1151 2.822,1152 14.899,1153 18.693,1154 9.297,1155 29.44,1156 14.391,1157 1.416,1158 5.274,1159 26.942,1160 2.541,1161 15.83,1162 19.813,1163 9.926,1164 31.44,1165 15.275,1166 10512,1167 16530,1168 19.761,1169 34.307,1170 41.716,1171 42.547,1172 42.142,1173 41.296,1174 41.316,1175 51.923,1176 9.396,1177 107.55,1178 39.822,1179 5.059,1180 5.605,1181 5.436,1182 4.759,1183 4.746,1184 6.669,1185 3.404,1186 13.418,1187 4.612,1188 9.937,1189 1.438,1190 1.467,1191 1.453,1192 1.424,1193 1.425,1194 1.79,1195 0.324,1196 3.709,1197 1.373,1198 3.964,1199 4.012,1200 3.889,1201 3.873,1202 7.429,1203 3.87,1204 3.911,1205 3.94,1206 3.846,1207 3.839,1208 4.909,1209 3.837,1210 3.8,1211 3.857,1212 3.703,1213 3.619,1214 4.755,1215 3.631,1216 3.55,1217 3.609,1218 3.473,1219 3.29,1220 4.66,1221 3.326,1222 3.318,1223 3.377,1224 3.205,1225 3.089,1226 4.346,1227 3.108,1228 3.177,1229 3.262,1230 3.02,1231 2.966,1232 4.274,1233 2.964,1234 3.111,1235 3.206,1236 2.874,1237 2.941,1238 3.859,1239 2.91,1240 3.049,1241 3.123,1242 2.866,1243 2.829,1244 3.674,1245 2.823,1246 0.14,1247 0.124,1248 0.194,1249 0.127,1250 0.095,1251 4.059,1252 0.127,1253 3.605,1254 0.067,1255 5.634,1256 0.27,1257 3.691,1258 0.09,1259 2.746,1260 3.669,1261 1.94,1262 7.834,1263 2.612,1264 1.923,1265 1.888,1266 2.062,1267 2.059,1268 1.331,1269 2.062,1270 1.897,1271 1.874,1272 2.002,1273 1.997,1274 1.12,1275 1.999,1276 1.76,1277 1.693,1278 1.954,1279 1.941,1280 1.08,1281 1.951,1282 1.438,1283 1.382,1284 1.625,1285 1.726,1286 0.825,1287 1.693,1288 1.25,1289 1.191,1290 1.573,1291 1.535,1292 0.804,1293 1.545,1294 1.153,1295 1.068,1296 1.513,1297 1.414,1298 0.606,1299 1.429,1300 1.143,1301 1.064,1302 1.42,1303 1.376,1304 0.579,1305 1.421,1306 1.037,1307 0.956,1308 1.303,1309 1.263,1310 0.313,1311 1.286,1312 4.078,1314 5.333,1316 6.774,1318 8.292,1320 9.845,1322 1.63,1328 5.061,1329 2.602,1330 5.114,1333 4.589,1340 32.31,1341 79.13,1342 171.228,1343 217.541,1344 244.07,1345 250.825,1346 258.825,1347 41.977,1348 7.025,1349 57.17,1350 57.17,1351 18,1352 11.996,1353 3.907,1354 3.17,1355 47.538,1356 135,1357 132,1358 0.166,1359 201.78,1360 353.44,1361 484.103,1362 11796,1364 18.899,1365 0.7,1366 0.581,1367 18.899,1368 15.674,1369 13.225,1370 0.456,1371 0.316,1372 9.023,1373 12.653,1374 8.788,1375 7.319,1376 13.225,1377 9.174,1378 11.193,1379 0.303,1380 0.178,1381 11.193,1382 6.604,1383 8.946,1384 0.203,1385 0.105,1386 8.946,1387 4.6,1388 6.967,1389 0.134,1390 0.059,1391 6.967,1392 3.054,1393 5.549,1394 0.088,1395 0.034,1396 5.549,1397 2.147,1398 0.276,1399 83.22,1400 0.225,1401 27.155,1402 0.415,1403 132,1404 378.739,1405 144.364,1406 363.809,1407 488.33,1408 342,1409 147,1410 344.506,1411 160.089,1412 351.845,1413 498.97,1414 327,1415 4.053}
{0 CHEMBL2323353,1 1.473,2 15.214,3 3.112,4 9.683,5 113.025,6 6.795,7 0.4,8 4.096,9 4.231,10 3.585,11 3.591,12 5.128,13 3.558,14 4.644,15 4.847,16 3.857,17 3.943,18 5.609,19 3.883,20 4.889,21 5.119,22 3.857,23 4.081,24 5.822,25 3.971,26 4.93,27 5.204,28 3.732,29 4.038,30 5.733,31 3.888,32 4.881,33 5.159,34 3.693,35 3.942,36 5.771,37 3.816,38 4.775,39 5.039,40 3.609,41 3.869,42 5.719,43 3.738,44 4.671,45 4.949,46 3.486,47 3.757,48 5.554,49 3.614,50 4.509,51 4.768,52 3.388,53 3.608,54 5.436,55 3.495,56 0.059,57 0.819,58 12.776,59 5.073,60 8.92,61 7.156,62 0.269,63 1.269,64 23.584,65 7.587,66 25.325,67 11.365,68 0.483,69 1.491,70 30.887,71 10.316,72 46.716,73 15.048,74 0.267,75 1.491,76 32.097,77 11.018,78 32.103,79 16.649,80 0.345,81 1.396,82 31.154,83 9.419,84 44.981,85 14.6,86 0.43,87 1.267,88 27.965,89 8.775,90 47.565,91 13.291,92 0.291,93 1.128,94 25.018,95 8.28,96 35.279,97 12.533,98 0.241,99 0.97,100 21.326,101 6.56,102 32.469,103 9.956,104 7,105 38,106 0.244,107 0.538,108 0.701,109 0.779,110 0.799,111 0.823,112 3.373,113 0.976,114 -3.63,115 -3.6,116 -3.43,121 39.3,122 1,127 7,144 9,145 2,146 1,157 1,160 1,172 1,176 10,180 5,183 1,187 10,191 3,192 6,195 1,197 1,200 5,205 1,206 5,211 2,214 2,219 3,224 2,227 2,231 2,232 5,235 1,239 1,243 1,244 6,247 1,256 5,261 1,268 1,269 4,274 3,281 1396,282 19.3,283 19.3,284 19.3,285 19.3,286 19.3,287 17.488,288 21.773,289 12.011,290 19.773,291 14.831,292 14.831,293 14.831,294 14.831,295 14.831,296 12.171,297 25.959,298 5.719,299 15.478,300 4.334,301 2.558,302 1.572,303 1.098,304 0.978,305 0.835,306 4.062,311 1,312 1,313 906,314 3.536,318 334.324,325 2.515,326 18.548,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 60,338 426,339 4.061,340 3.605,341 5.634,342 3.692,343 2.746,344 3.67,345 1.94,346 7.834,347 2.612,348 3.943,349 3.042,350 5.492,351 3.633,352 2.659,353 3.457,354 0.916,355 7.389,356 2.592,357 3.78,358 2.899,359 5.439,360 3.523,361 2.547,362 2.959,363 0.86,364 7.277,365 2.482,366 3.564,367 2.698,368 5.13,369 3.248,370 2.277,371 2.828,372 0.809,373 6.375,374 2.197,375 3.458,376 2.496,377 5.032,378 3.147,379 2.192,380 2.541,381 0.172,382 6.089,383 2.076,384 3.077,385 2.315,386 4.738,387 2.865,388 1.923,389 2.156,391 5.274,392 1.797,393 2.813,394 1.727,395 3.592,396 2.409,397 1.416,398 1.892,400 3.039,401 1.404,402 2.7,403 1.52,404 3.428,405 2.14,406 1.2,407 1.601,409 2.486,410 1.119,411 2.5,412 1.421,413 3.414,414 2,415 1.011,416 1.5,418 2.275,419 1,420 2.5,421 1.146,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.169,430 1,431 3.247,432 1.967,433 1,434 1.138,436 2.136,437 0.965,438 2,439 1,440 3.143,441 1.957,442 1,443 1,445 1.835,446 0.946,447 1.387,448 0.826,449 2.899,450 1.236,451 0.274,452 0.297,454 0.67,455 0.262,456 1.299,457 0.491,458 2.666,459 1.047,460 0.066,461 0.075,463 0.138,464 0.064,465 0.97,466 0.252,467 2.214,468 0.71,469 -0.256,470 -0.293,472 -0.584,473 -0.243,474 13.267,475 0.474,476 0.447,477 0.016,478 33.25,479 1.188,480 15.5,481 0.554,482 17.75,483 0.634,484 22.531,485 0.805,486 31.133,487 0.556,488 23.867,489 0.852,490 6.993,491 0.25,492 6.732,493 0.24,494 0.063,496 0.211,501 0.77,502 1.43,503 0.871,504 1.227,505 0.588,506 1.085,507 1.198,508 1.128,509 1.053,510 1.001,511 0.68,512 0.991,513 1.192,514 0.991,515 1.152,516 1.035,517 1.045,518 1.085,519 0.726,520 1.112,521 0.942,522 1.089,523 0.662,524 1.049,525 1.156,526 0.997,527 0.985,528 0.905,529 1.496,530 0.912,531 1.078,532 0.95,533 1.07,534 0.965,535 1.456,536 1.006,537 0.795,538 0.988,539 0.92,540 0.991,541 1.109,542 0.973,543 1.315,544 1.064,545 1.046,546 0.966,547 1.652,548 0.968,549 5,550 0.12,551 1.778,552 0.938,553 0.996,554 0.479,555 0.442,556 0.245,557 0.222,558 0.097,559 12180,560 28512,561 2.076,562 50,564 23,566 1,567 1,569 3,572 1.7,573 2,574 3.873,575 -0.358,576 1,577 1,582 82.498,583 1.473,584 3.25,585 4.235,586 4.709,587 4.83,588 4.972,589 3.404,590 3.968,591 4.776,592 4.049,593 1530.69,594 8.251,595 22625.3,597 1,599 1,600 325.212,601 1.095,602 4.765,603 0.167,604 0.006,605 0.047,606 0.026,607 0.032,608 0.016,609 0.016,610 0.01,611 0.01,612 0.004,613 0.334,614 0.5,615 1,616 0.787,617 147.161,618 0.059,619 -0.172,620 0.066,621 -0.101,622 0.017,623 -0.033,624 -0.09,625 0.026,626 -0.062,627 -0.003,628 0.028,629 -0.019,630 -0.022,631 0.053,632 -0.155,633 -0.048,634 -0.01,635 -0.114,636 0.036,637 -0.149,638 0.019,639 -0.106,640 0.052,641 -0.056,642 -0.103,643 -0.029,644 0.017,645 0.026,646 -0.124,647 0.038,648 0.023,649 0.041,650 -0.068,651 -0.02,652 -0.07,653 -0.052,654 0.093,655 -0.034,656 0.059,657 -0.029,658 0.02,659 0.004,660 -0.14,661 -0.081,662 -0.038,663 -0.018,664 -0.159,665 -0.015,666 1.751,667 5.113,668 0.643,669 35.694,670 0.994,671 1.132,672 2.403,673 5.774,674 0.644,675 3.434,676 3.664,677 3.829,678 4.007,679 4.19,680 4.094,681 4.174,682 4.205,683 4.205,684 4.205,685 8.645,686 0.604,687 380.54,688 3.434,689 4.92,690 5.714,691 6.535,692 7.341,693 8.166,694 8.978,695 9.803,696 10.617,697 11.442,698 7.1,701 2,705 1,707 1,715 9,720 3,722 12,739 1,741 56,743 14,744 2,745 30,747 58,748 22,749 12,750 3,751 9,752 1,756 3,757 3,759 1,763 1,772 14,773 8,777 2,782 1,784 1,785 1,786 1,790 1,793 28,794 6,795 1,796 6,802 4,808 1,809 2,829 3,855 2,859 3,864 1,868 28,876 7,877 1,878 1,881 2,893 3.6,896 1,898 1,901 14,902 10.017,903 6.417,904 3.446,907 2.436,908 1.343,909 0.955,910 7.886,911 9.542,912 3.664,913 4.111,914 4.522,915 4.97,916 5.406,917 5.343,918 5.542,919 5.659,920 5.807,921 5.95,922 1,923 36,924 10.348,926 4.175,927 0.026,929 7.613,931 20.129,933 15.88,936 2.113,937 59.167,940 1,941 317.82,942 136.705,943 40.8,945 36.145,948 136.705,949 353.965,950 40.8,951 8.825,952 35.115,953 85.286,954 50.668,955 45.526,957 306.049,959 317.82,960 177.505,961 36.145,964 282.506,965 71.458,968 66.852,969 101.605,970 9.047,972 317.82,973 76.945,974 136.705,977 317.82,978 33.546,979 109.407,980 17.888,981 52.808,982 317.82,983 76.945,984 136.705,986 0.555,987 0.306,988 0.163,989 0.09,990 15,991 6,992 0.138,993 8,995 1,996 4.291,997 212.413,999 18,1000 122.606,1005 20.373,1006 10.838,1007 6.957,1009 76.945,1010 18.096,1015 3.075,1017 17.888,1018 531.469,1019 38,1024 12.113,1026 1.644,1027 4.051,1028 -0.085,1031 55.665,1032 63.394,1034 0.254,1035 0.56,1036 0.729,1037 0.811,1038 0.832,1039 0.856,1040 4.852,1041 1.2,1042 5.631,1043 3.039,1044 4.344,1045 4.796,1046 2.417,1047 6.293,1048 4.268,1049 5.978,1050 1.011,1051 7.089,1052 2.486,1053 3.611,1054 4.182,1055 1.738,1056 6.823,1057 3.497,1058 7.212,1059 1,1060 8.635,1061 2.275,1062 5.796,1063 6.754,1064 3.113,1065 9.838,1066 5.644,1067 8.472,1068 1,1069 10.232,1070 2.275,1071 5.861,1072 6.917,1073 3.111,1074 11.151,1075 5.668,1076 9.76,1077 1,1078 11.86,1079 2.136,1080 7.465,1081 8.968,1082 4.19,1083 13.611,1084 7.241,1085 11.065,1086 0.274,1087 13.507,1088 1.835,1089 7.928,1090 9.523,1091 4.507,1092 15.268,1093 7.661,1094 12.385,1095 0.066,1096 15.168,1097 0.67,1098 9.245,1099 11.312,1100 5.412,1101 17.497,1102 8.952,1103 2.746,1104 -0.256,1105 16.838,1106 0.138,1107 9.93,1108 12.101,1109 5.886,1110 19.328,1111 9.591,1112 2.659,1113 7.834,1114 18.515,1115 -0.584,1116 11.094,1117 13.731,1118 6.688,1119 21.45,1120 10.729,1121 2.547,1122 7.389,1123 20.196,1124 3.67,1125 11.907,1126 14.674,1127 7.245,1128 23.373,1129 11.495,1130 2.277,1131 7.277,1132 21.882,1133 3.457,1134 12.989,1135 16.198,1136 7.987,1137 25.444,1138 12.549,1139 2.192,1140 6.375,1141 23.57,1142 2.959,1143 13.876,1144 17.246,1145 8.59,1146 27.417,1147 13.39,1148 1.923,1149 6.089,1150 25.261,1151 2.828,1152 14.913,1153 18.697,1154 9.297,1155 29.466,1156 14.396,1157 1.416,1158 5.274,1159 26.954,1160 2.541,1161 15.844,1162 19.818,1163 9.926,1164 31.466,1165 15.281,1166 11717,1167 18053,1168 20.455,1169 36.069,1170 43.034,1171 43.803,1172 43.604,1173 42.657,1174 42.622,1175 53.229,1176 9.396,1177 110.185,1178 41.032,1179 5.061,1180 5.605,1181 5.436,1182 4.759,1183 4.746,1184 6.67,1185 3.404,1186 13.418,1187 4.612,1188 10.247,1189 1.434,1190 1.46,1191 1.453,1192 1.422,1193 1.421,1194 1.774,1195 0.313,1196 3.673,1197 1.368,1198 3.966,1199 4.013,1200 3.891,1201 3.874,1202 7.429,1203 3.872,1204 3.913,1205 3.942,1206 3.847,1207 3.84,1208 4.9,1209 3.837,1210 3.801,1211 3.857,1212 3.703,1213 3.619,1214 4.755,1215 3.631,1216 3.557,1217 3.617,1218 3.476,1219 3.303,1220 4.647,1221 3.333,1222 3.463,1223 3.531,1224 3.297,1225 3.254,1226 4.346,1227 3.253,1228 3.233,1229 3.318,1230 3.102,1231 3.03,1232 4.272,1233 3.037,1234 3.111,1235 3.206,1236 2.959,1237 2.941,1238 3.86,1239 2.93,1240 3.091,1241 3.15,1242 2.866,1243 2.935,1244 3.699,1245 2.91,1246 0.135,1247 0.12,1248 0.188,1249 0.123,1250 0.092,1251 4.061,1252 0.122,1253 3.605,1254 0.065,1255 5.634,1256 0.261,1257 3.692,1258 0.087,1259 2.746,1260 3.67,1261 1.94,1262 7.834,1263 2.612,1264 1.923,1265 1.888,1266 2.062,1267 2.059,1268 1.331,1269 2.062,1270 1.899,1271 1.876,1272 2.005,1273 2.001,1274 1.12,1275 2.002,1276 1.76,1277 1.693,1278 1.954,1279 1.941,1280 1.087,1281 1.952,1282 1.475,1283 1.409,1284 1.788,1285 1.744,1286 0.926,1287 1.743,1288 1.423,1289 1.361,1290 1.619,1291 1.677,1292 0.825,1293 1.677,1294 1.185,1295 1.112,1296 1.513,1297 1.439,1298 0.804,1299 1.437,1300 1.153,1301 1.064,1302 1.423,1303 1.376,1304 0.605,1305 1.429,1306 1.076,1307 1.019,1308 1.317,1309 1.282,1310 0.328,1311 1.301,1312 4.111,1314 5.361,1316 6.797,1318 8.311,1320 9.863,1322 1.952,1328 5.706,1329 2.613,1330 5.406,1333 4.594,1340 33.837,1341 82.498,1342 181.976,1343 237.173,1344 263.702,1345 270.457,1346 278.457,1347 45.157,1348 7.107,1349 57.17,1350 57.17,1351 18,1352 12.021,1353 3.907,1354 3.17,1355 50.29,1356 146,1357 148,1358 0.162,1359 211.372,1360 370.74,1361 507.508,1362 13230,1364 19.606,1365 0.7,1366 0.585,1367 19.606,1368 16.381,1369 13.725,1370 0.457,1371 0.325,1372 9.618,1373 13.158,1374 9.384,1375 7.8,1376 13.725,1377 9.761,1378 11.574,1379 0.305,1380 0.18,1381 11.574,1382 6.833,1383 9.066,1384 0.201,1385 0.104,1386 9.066,1387 4.675,1388 7.256,1389 0.134,1390 0.059,1391 7.256,1392 3.181,1393 5.768,1394 0.089,1395 0.034,1396 5.768,1397 2.223,1398 0.271,1399 86.013,1400 0.221,1401 28.058,1402 0.404,1403 136,1404 382.739,1405 149.029,1406 367.418,1407 495.81,1408 346,1409 151,1410 353.415,1411 164.421,1412 357.34,1413 510.15,1414 335,1415 4.089}
{0 CHEMBL2323354,1 1.471,2 14.724,3 3.863,4 14.924,5 115.463,6 6.82,7 0.387,8 4.131,9 4.256,10 3.619,11 3.629,12 5.184,13 3.598,14 4.681,15 4.871,16 3.896,17 3.997,18 5.64,19 3.937,20 4.922,21 5.136,22 3.956,23 4.161,24 5.875,25 4.053,26 5.028,27 5.292,28 3.855,29 4.138,30 5.858,31 3.997,32 4.996,33 5.259,34 3.772,35 4.045,36 5.899,37 3.916,38 4.866,39 5.129,40 3.661,41 3.951,42 5.79,43 3.81,44 4.788,45 5.078,46 3.538,47 3.801,48 5.663,49 3.66,50 4.563,51 4.822,52 3.479,53 3.64,54 5.546,55 3.543,56 0.052,57 0.814,58 13.182,59 5.547,60 10.767,61 7.505,62 0.288,63 1.269,64 24.459,65 8.638,66 28.06,67 12.187,68 0.476,69 1.549,70 31.426,71 11.458,72 47.44,73 16.306,74 0.288,75 1.621,76 35.46,77 12.527,78 38.536,79 18.391,80 0.509,81 1.517,82 35.322,83 11.018,84 57.446,85 16.317,86 0.4,87 1.387,88 30.483,89 9.838,90 51.43,91 14.87,92 0.355,93 1.237,94 28.63,95 8.752,96 44.913,97 13.529,98 0.383,99 1.018,100 22.808,101 6.622,102 42.731,103 10.12,104 14,105 40,106 0.242,107 0.557,108 0.746,109 0.809,110 0.822,111 0.828,112 3.407,113 0.966,114 -4.12,115 -4.06,116 -3.84,121 39.7,123 3,124 1,126 2,127 3,144 8,145 2,146 2,157 1,160 1,172 1,176 13,180 5,183 1,187 14,191 3,192 7,195 1,197 1,200 10,205 1,206 4,211 2,214 7,218 1,219 4,224 3,227 5,231 1,232 8,235 1,237 1,239 2,244 7,247 1,249 1,255 1,256 4,261 1,264 2,268 2,269 3,274 2,277 5,281 1489,282 19.963,283 19.963,284 19.963,285 19.963,286 19.963,287 18.151,288 21.113,289 12.115,290 20.453,291 15.208,292 15.208,293 15.208,294 15.208,295 15.208,296 12.427,297 18.398,298 5.637,299 15.775,300 4.387,301 2.47,302 1.315,303 0.936,304 0.854,305 0.819,306 4.093,311 1,312 1,313 904,314 3.606,318 345.768,325 2.442,326 21.332,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 62.5,338 427,339 4.272,340 3.604,341 6.165,342 3.852,343 2.899,344 3.925,345 1.94,346 9.124,347 2.763,348 3.943,349 3.196,350 5.634,351 3.724,352 2.745,353 3.457,354 0.86,355 7.834,356 2.698,357 3.789,358 2.886,359 5.441,360 3.53,361 2.55,362 3.02,363 0.86,364 7.282,365 2.489,366 3.63,367 2.69,368 5.253,369 3.287,370 2.306,371 2.876,372 0.809,373 6.645,374 2.266,375 3.464,376 2.481,377 5.033,378 3.204,379 2.215,380 2.541,382 6.091,383 2.167,384 3.077,385 2.177,386 4.739,387 2.889,388 1.922,389 2.156,391 5.275,392 1.842,393 2.919,394 2.128,395 4.366,396 2.521,397 1.609,398 2.057,400 4.126,401 1.461,402 2.813,403 1.646,404 3.592,405 2.414,406 1.416,407 1.892,409 3.039,410 1.413,411 2.691,412 1.501,413 3.421,414 2.09,415 1.12,416 1.586,418 2.441,419 1.079,420 2.5,421 1.077,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2,430 1.063,431 3.247,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.898,439 1,440 3.044,441 1.593,442 0.688,443 0.805,445 1.265,446 0.616,447 1.471,448 0.935,449 2.906,450 1.253,451 0.361,452 0.39,454 0.654,455 0.31,456 1.378,457 0.804,458 2.71,459 1.198,460 0.252,461 0.274,463 0.464,464 0.243,465 1.187,466 0.438,467 2.504,468 0.891,469 -0.07,470 -0.081,472 -0.152,473 -0.068,474 13.7,475 0.472,476 0.499,477 0.017,478 34,479 1.172,480 16,481 0.552,482 18,483 0.621,484 25.039,485 0.863,486 32.5,487 0.56,488 24.828,489 0.856,490 7.002,491 0.241,492 7.171,493 0.247,494 0.097,496 0.248,501 0.773,502 1.336,503 0.866,504 1.226,505 0.586,506 1.083,507 1.176,508 1.051,509 1.019,510 0.969,511 0.731,512 0.965,513 0.807,514 1.099,515 1.072,516 1.138,517 0.904,518 1.143,519 0.743,520 1.103,521 0.934,522 1.103,523 0.645,524 1.054,525 1.263,526 0.967,527 1.059,528 0.902,529 1.462,530 0.944,531 0.881,532 1.098,533 1.057,534 1.053,535 1.324,536 1.07,537 0.889,538 0.962,539 0.898,540 0.874,541 1.235,542 0.875,543 1.159,544 0.929,545 1.011,546 0.84,547 1.453,548 0.874,549 5.5,550 0.136,551 2.222,552 1.375,553 1.307,554 0.569,555 0.402,556 0.307,557 0.246,558 0.137,559 12937,560 31295,561 2.053,562 50,563 3,564 20,566 1,567 1,569 4,572 1.71,573 1.955,574 3.828,575 -0.371,577 1,582 85.33,583 1.471,584 3.388,585 4.543,586 4.922,587 5.004,588 5.039,589 3.28,590 4.582,591 4.83,592 4.021,593 1632.4,594 8.361,595 24532.3,597 1,599 1,600 339.763,601 1.233,602 4.804,603 0.177,604 0.006,605 0.056,606 0.034,607 0.037,608 0.018,609 0.014,610 0.012,611 0.01,612 0.005,613 0.371,614 0.33,615 1,616 0.772,617 153.428,618 0.043,619 -0.094,620 0.062,621 -0.083,622 0.04,623 -0.021,624 -0.096,625 0.072,626 -0.036,627 0.063,628 0.013,629 0.029,630 0.124,631 -0.036,632 -0.107,633 -0.111,634 0.062,635 -0.141,636 0.033,637 -0.131,638 0.025,639 -0.116,640 0.064,641 -0.057,642 -0.113,643 -0.008,644 -0.047,645 0.035,646 -0.139,647 0.005,648 0.017,649 -0.096,650 -0.078,651 -0.102,652 -0.075,653 -0.105,654 0.015,655 -0.006,656 0.094,657 0.042,658 -0.036,659 0.076,660 -0.005,661 0.093,662 0.009,663 0.071,664 -0.012,665 0.055,666 1.761,667 5.186,668 0.621,669 35.208,670 0.996,671 1.13,672 2.886,673 8.328,674 0.643,675 3.466,676 3.714,677 3.912,678 4.094,679 4.263,680 4.174,681 4.22,682 4.248,683 4.263,684 4.263,685 8.576,686 0.604,687 395.55,688 3.466,689 4.963,690 5.771,691 6.605,692 7.426,693 8.262,694 9.087,695 9.924,696 10.751,697 11.588,698 5.2,701 1,705 1,707 1,715 8,720 4,722 12,739 2,741 58,743 14,744 2,745 31,747 60,748 23,749 12,750 4,751 8,752 1,756 3,757 3,759 1,767 2,768 1,770 3,772 14,773 9,774 1,777 2,782 1,784 1,785 1,786 1,790 1,793 29,794 6,795 1,796 6,802 3,808 1,809 3,829 3,855 1,859 3,864 2,868 29,876 6,877 1,878 2,880 1,881 1,893 5.2,896 1,898 2,901 14.833,902 10.733,903 6.694,904 3.389,907 2.469,908 1.344,909 0.942,910 8.086,911 9.655,912 3.689,913 4.159,914 4.605,915 5.059,916 5.495,917 5.488,918 5.653,919 5.742,920 5.9,921 6.05,922 0.9,923 40,924 10.712,926 4.337,927 0.026,929 7.644,931 20.78,933 16.526,936 2.144,937 62.167,939 1,940 1,941 329.591,942 142.107,943 37.676,945 47.145,948 142.107,949 376.736,950 37.676,951 21.766,952 31.809,953 75.81,954 50.668,955 58.645,957 317.82,959 329.591,960 179.782,961 47.145,964 282.506,965 94.229,968 51.596,969 119.139,970 9.047,972 329.591,973 84.82,974 142.107,977 329.591,978 35.483,979 109.748,980 17.888,981 63.808,982 329.591,983 84.82,984 142.107,986 0.559,987 0.323,988 0.172,989 0.092,990 16,991 7,992 0.133,993 8,995 1,996 4.288,997 226.688,999 18,1000 130.127,1005 21.348,1006 10.985,1007 6.585,1009 84.82,1010 16.099,1015 3.503,1017 17.888,1018 556.518,1019 39,1024 12.186,1026 1.603,1027 4.061,1028 -0.094,1031 57.774,1032 65.521,1034 0.251,1035 0.578,1036 0.776,1037 0.84,1038 0.854,1039 0.86,1040 4.89,1041 1.416,1042 5.707,1043 4.126,1044 4.394,1045 4.844,1046 2.415,1047 6.412,1048 4.33,1049 6.032,1050 1.12,1051 7.197,1052 3.039,1053 3.761,1054 4.369,1055 1.668,1056 7.081,1057 3.675,1058 7.285,1059 1,1060 8.778,1061 2.441,1062 5.889,1063 6.853,1064 3.119,1065 10.102,1066 5.768,1067 8.568,1068 1,1069 10.415,1070 2.275,1071 6.066,1072 7.184,1073 3.089,1074 11.58,1075 5.908,1076 9.88,1077 0.688,1078 12.085,1079 2.136,1080 7.616,1081 9.139,1082 4.192,1083 14.08,1084 7.437,1085 11.211,1086 0.361,1087 13.78,1088 1.265,1089 8.192,1090 9.881,1091 4.502,1092 15.918,1093 7.965,1094 12.559,1095 0.252,1096 15.491,1097 0.654,1098 9.476,1099 11.584,1100 5.412,1101 18.223,1102 9.232,1103 2.899,1104 -0.07,1105 17.216,1106 0.464,1107 10.266,1108 12.563,1109 5.885,1110 20.239,1111 9.968,1112 2.745,1113 9.124,1114 18.951,1115 -0.152,1116 11.42,1117 14.126,1118 6.688,1119 22.468,1120 11.101,1121 2.55,1122 7.834,1123 20.695,1124 3.925,1125 12.325,1126 15.249,1127 7.245,1128 24.573,1129 11.953,1130 2.306,1131 7.282,1132 22.447,1133 3.457,1134 13.416,1135 16.729,1136 7.987,1137 26.776,1138 13.018,1139 2.215,1140 6.645,1141 24.205,1142 3.02,1143 14.384,1144 17.943,1145 8.59,1146 28.926,1147 13.935,1148 1.922,1149 6.091,1150 25.969,1151 2.876,1152 15.447,1153 19.373,1154 9.297,1155 31.122,1156 14.966,1157 1.609,1158 5.275,1159 27.738,1160 2.541,1161 16.449,1162 20.644,1163 9.926,1164 33.297,1165 15.919,1166 12491,1167 19589,1168 20.86,1169 37.279,1170 44.459,1171 45.866,1172 45.671,1173 44.071,1174 44.169,1175 54.961,1176 8.938,1177 117.301,1178 42.658,1179 5.272,1180 5.604,1181 5.967,1182 4.887,1183 4.899,1184 6.925,1185 3.404,1186 15.378,1187 4.763,1188 12.735,1189 1.434,1190 1.48,1191 1.473,1192 1.422,1193 1.425,1194 1.773,1195 0.288,1196 3.784,1197 1.376,1198 3.983,1199 4.025,1200 3.909,1201 3.899,1202 7.429,1203 3.893,1204 3.924,1205 3.945,1206 3.86,1207 3.844,1208 4.958,1209 3.847,1210 3.81,1211 3.861,1212 3.711,1213 3.679,1214 4.752,1215 3.676,1216 3.569,1217 3.622,1218 3.49,1219 3.334,1220 4.677,1221 3.364,1222 3.34,1223 3.396,1224 3.23,1225 3.117,1226 4.495,1227 3.138,1228 3.247,1229 3.314,1230 3.051,1231 2.979,1232 4.311,1233 2.98,1234 3.186,1235 3.265,1236 3.032,1237 2.951,1238 4.203,1239 2.959,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.834,1245 2.91,1246 0.138,1247 0.116,1248 0.199,1249 0.124,1250 0.094,1251 4.272,1252 0.127,1253 3.604,1254 0.063,1255 6.165,1256 0.294,1257 3.852,1258 0.089,1259 2.899,1260 3.925,1261 1.94,1262 9.124,1263 2.763,1264 1.952,1265 1.917,1266 2.112,1267 2.07,1268 1.474,1269 2.086,1270 1.892,1271 1.875,1272 1.983,1273 2.003,1274 1.121,1275 1.996,1276 1.798,1277 1.745,1278 1.974,1279 1.943,1280 1.082,1281 1.955,1282 1.472,1283 1.421,1284 1.661,1285 1.738,1286 0.876,1287 1.711,1288 1.272,1289 1.216,1290 1.577,1291 1.543,1292 0.825,1293 1.552,1294 1.191,1295 1.115,1296 1.575,1297 1.523,1298 0.627,1299 1.539,1300 1.155,1301 1.084,1302 1.513,1303 1.417,1304 0.581,1305 1.431,1306 1.153,1307 1.064,1308 1.437,1309 1.376,1310 0.574,1311 1.429,1312 4.143,1314 5.407,1316 6.864,1318 8.404,1320 9.984,1322 3.18,1328 5.64,1329 2.612,1330 10.485,1332 0.694,1333 2.197,1340 35.057,1341 85.33,1342 196.523,1343 263.498,1344 285.498,1345 290.253,1346 292.253,1347 52.144,1348 7.186,1349 63.16,1350 63.16,1351 18,1352 12.158,1353 3.907,1354 3.17,1355 53.046,1356 151,1357 132,1358 0.166,1359 218.167,1360 385.83,1361 524.086,1362 14428,1364 20.476,1365 0.706,1366 0.591,1367 20.476,1368 17.135,1369 14.173,1370 0.457,1371 0.322,1372 9.818,1373 13.555,1374 9.528,1375 7.97,1376 14.173,1377 9.979,1378 11.914,1379 0.298,1380 0.183,1381 11.914,1382 7.317,1383 9.7,1384 0.198,1385 0.107,1386 9.7,1387 5.252,1388 7.763,1389 0.132,1390 0.062,1391 7.763,1392 3.646,1393 6.095,1394 0.087,1395 0.038,1396 6.095,1397 2.627,1398 0.276,1399 89.415,1400 0.219,1401 28.699,1402 0.417,1403 142,1404 414.83,1405 155.161,1406 393.385,1407 527.74,1408 370,1409 160,1410 371.939,1411 173.802,1412 379.725,1413 539.83,1414 352,1415 4.202}
{0 CHEMBL2323355,1 1.436,2 14.519,3 3.88,4 15.051,5 109,6 6.769,7 0.414,8 4.055,9 4.185,10 3.54,11 3.584,12 5.093,13 3.543,14 4.602,15 4.793,16 3.814,17 3.958,18 5.554,19 3.883,20 4.874,21 5.102,22 3.823,23 4.107,24 5.786,25 3.979,26 4.95,27 5.231,28 3.675,29 4.049,30 5.729,31 3.88,32 4.864,33 5.148,34 3.625,35 3.918,36 5.727,37 3.776,38 4.721,39 4.985,40 3.558,41 3.819,42 5.651,43 3.692,44 4.62,45 4.887,46 3.449,47 3.716,48 5.541,49 3.58,50 4.497,51 4.765,52 3.337,53 3.58,54 5.409,55 3.464,56 0.063,57 0.766,58 12.224,59 5.164,60 9.686,61 7.085,62 0.233,63 1.214,64 22.33,65 8.188,66 23.997,67 11.686,68 0.374,69 1.49,70 29.895,71 11.043,72 43.142,73 15.843,74 0.268,75 1.52,76 32.744,77 11.794,78 34.26,79 17.481,80 0.316,81 1.374,82 30.582,83 9.885,84 44.652,85 14.901,86 0.339,87 1.218,88 26.417,89 8.424,90 44.501,91 12.609,92 0.269,93 1.098,94 23.723,95 7.852,96 37.445,97 11.748,98 0.257,99 0.964,100 21.19,101 6.522,102 33.297,103 9.79,104 6,105 37,106 0.239,107 0.559,108 0.749,109 0.813,110 0.821,111 0.821,112 3.338,113 0.978,114 -4.4,115 -4.34,116 -4.09,121 40.7,123 3,124 1,126 1,127 3,144 9,145 2,146 1,157 1,160 1,172 1,176 14,180 5,183 1,187 16,191 2,192 5,195 1,197 1,200 11,205 1,206 4,211 2,214 7,219 4,224 4,227 5,231 1,232 8,237 1,239 2,244 8,247 1,249 1,256 5,261 1,264 2,268 1,269 3,274 2,277 5,281 1251,282 18.593,283 18.593,284 18.593,285 18.593,286 18.593,287 16.781,288 18.194,289 11.406,290 18.918,291 14.293,292 14.293,293 14.293,294 14.293,295 14.293,296 11.61,297 15.109,298 5.424,299 14.69,300 4.319,301 2.403,302 1.26,303 0.88,304 0.829,305 0.829,306 4.027,310 1,311 1,312 1,313 836,314 3.391,318 319.171,325 2.425,326 17.43,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 57.5,338 392,339 4.059,340 3.604,341 5.634,342 3.725,343 2.746,344 3.669,345 1.94,346 7.834,347 2.698,348 3.943,349 2.887,350 5.482,351 3.63,352 2.653,353 3.457,354 0.86,355 7.345,356 2.595,357 3.779,358 2.867,359 5.439,360 3.525,361 2.547,362 2.957,363 0.809,364 7.273,365 2.484,366 3.555,367 2.69,368 5.111,369 3.265,370 2.272,371 2.822,373 6.28,374 2.257,375 3.456,376 2.476,377 5.031,378 3.135,379 2.176,380 2.541,382 6.087,383 2.068,384 3.076,385 2.128,386 4.738,387 2.888,388 1.922,389 2.156,391 5.274,392 1.841,393 2.813,394 1.674,395 3.592,396 2.414,397 1.416,398 1.892,400 3.039,401 1.413,402 2.692,403 1.501,404 3.414,405 2.091,406 1.123,407 1.586,409 2.436,410 1.08,411 2.5,412 1.08,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.5,421 1.077,422 3.409,423 2,424 1,425 1.5,427 2.275,428 1,429 2,430 1,431 3.247,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.693,439 1,440 2.946,441 1.437,442 0.551,443 0.606,445 0.926,446 0.482,447 1.379,448 0.804,449 2.768,450 1.233,451 0.254,452 0.276,454 0.595,455 0.247,456 1.187,457 0.437,458 2.569,459 0.891,460 -0.07,461 -0.081,463 -0.15,464 -0.068,465 0.962,466 0.157,467 2.152,468 0.69,469 -0.315,470 -0.369,472 -0.745,473 -0.312,474 12.867,475 0.477,476 0.447,477 0.017,478 32,479 1.185,480 15.5,481 0.574,482 16.5,483 0.611,484 22.279,485 0.825,486 29.733,487 0.551,488 21.992,489 0.815,490 6.503,491 0.241,492 6.722,493 0.249,494 0.065,496 0.225,501 0.731,502 1.275,503 0.876,504 1.163,505 0.561,506 1.055,507 1.066,508 1.106,509 1.046,510 1.036,511 0.661,512 1.031,513 0.903,514 1.079,515 1.119,516 1.126,517 0.931,518 1.149,519 0.68,520 1.057,521 0.942,522 1.061,523 0.64,524 1.037,525 1.086,526 0.968,527 0.939,528 0.886,529 1.444,530 0.887,531 1.21,532 0.992,533 1.054,534 0.935,535 1.497,536 0.962,537 0.994,538 1.077,539 0.998,540 1.013,541 1.354,542 1.003,543 1.408,544 0.934,545 1.042,546 0.848,547 1.642,548 0.883,549 5,550 0.103,551 1.778,552 0.938,553 0.996,554 0.451,555 0.402,556 0.245,557 0.222,558 0.097,559 10959,560 25609,561 2.079,562 50,563 3,564 18,566 1,567 1,569 4,572 1.691,573 2,574 3.808,575 -0.382,577 1,582 77.52,583 1.436,584 3.352,585 4.495,586 4.875,587 4.926,588 4.926,589 3.3,590 4.06,591 4.724,592 3.984,593 1398.47,594 8.148,595 19945.8,597 1,599 1,600 310.764,601 1.117,602 4.711,603 0.172,604 0.005,605 0.048,606 0.027,607 0.034,608 0.016,609 0.015,610 0.011,611 0.011,612 0.004,613 0.344,614 0.33,615 1,616 0.63,617 139.839,618 0.065,619 -0.054,620 0.058,621 -0.047,622 0.042,623 -0.006,624 -0.052,625 0.021,626 -0.072,627 -0.008,628 0.035,629 -0.036,630 0.039,631 -0.043,632 -0.15,633 -0.12,634 0.027,635 -0.157,636 0.046,637 -0.108,638 0.018,639 -0.088,640 0.048,641 -0.047,642 -0.062,643 -0.015,644 0.061,645 0.045,646 -0.1,647 0.066,648 -0.062,649 0.005,650 -0.046,651 -0.002,652 -0.093,653 -0.018,654 0.023,655 -0.096,656 -0.005,657 -0.066,658 -0.041,659 -0.043,660 -0.164,661 0.058,662 -0.02,663 0.07,664 -0.162,665 0.05,666 1.735,667 5.088,668 0.667,669 32.864,670 0.992,671 1.128,672 3.175,673 10.08,674 0.649,675 3.401,676 3.638,677 3.807,678 3.97,679 4.159,680 4.06,681 4.111,682 4.143,683 4.174,684 4.174,685 8.298,686 0.608,687 365.52,688 3.401,689 4.89,690 5.687,691 6.509,692 7.317,693 8.141,694 8.953,695 9.777,696 10.592,697 11.417,698 5.6,701 1,705 1,707 1,715 9,720 3,722 12,739 1,741 54,743 14,744 2,745 29,747 56,748 22,749 12,750 3,751 9,752 1,756 3,757 3,759 1,767 2,768 1,770 3,772 14,773 8,774 1,777 2,782 1,784 1,785 1,786 1,790 1,793 27,794 5,795 1,796 5,802 3,808 1,809 2,829 3,855 1,859 3,864 1,868 27,876 6,877 1,878 1,880 1,881 1,893 3.7,896 1,898 1,901 13.5,902 9.65,903 6.167,904 3.229,907 2.412,908 1.343,909 0.953,910 7.288,911 9.436,912 3.638,913 4.094,914 4.511,915 4.949,916 5.386,917 5.31,918 5.473,919 5.554,920 5.766,921 5.914,922 0.9,923 35,924 9.979,926 4.056,927 0.026,929 7.611,931 19.471,933 15.634,936 2.111,937 57,939 1,940 1,941 306.049,942 135.457,943 37.676,945 36.145,948 135.457,949 342.193,950 37.676,951 10.883,952 31.809,953 85.286,954 50.668,955 42.402,957 294.278,959 306.049,960 173.132,961 36.145,964 258.964,965 83.229,968 51.596,969 112.489,970 9.047,972 306.049,973 73.82,974 135.457,977 306.049,978 30.24,979 108.341,980 17.888,981 52.808,982 306.049,983 73.82,984 135.457,986 0.559,987 0.312,988 0.16,989 0.088,990 15,991 6,992 0.125,993 7,995 1,996 4.185,997 203.203,999 18,1000 116.382,1005 19.437,1006 10.124,1007 6.404,1009 73.82,1010 18.162,1015 3.117,1017 17.888,1018 515.326,1019 37,1024 12.088,1026 1.642,1027 4.041,1028 -0.068,1031 53.563,1032 60.896,1034 0.249,1035 0.582,1036 0.781,1037 0.847,1038 0.856,1039 0.856,1040 4.828,1041 1.123,1042 5.609,1043 3.039,1044 4.317,1045 4.779,1046 2.273,1047 6.275,1048 4.27,1049 5.96,1050 1,1051 7.072,1052 2.436,1053 3.611,1054 4.182,1055 1.668,1056 6.823,1057 3.545,1058 7.198,1059 1,1060 8.622,1061 2.275,1062 5.778,1063 6.747,1064 3.069,1065 9.82,1066 5.686,1067 8.461,1068 1,1069 10.221,1070 2.275,1071 5.861,1072 6.917,1073 3.089,1074 11.14,1075 5.747,1076 9.751,1077 0.551,1078 11.85,1079 2.136,1080 7.449,1081 8.964,1082 4.18,1083 13.591,1084 7.318,1085 11.058,1086 0.254,1087 13.498,1088 0.926,1089 7.923,1090 9.521,1091 4.502,1092 15.249,1093 7.767,1094 12.378,1095 -0.07,1096 15.159,1097 0.595,1098 9.231,1099 11.308,1100 5.41,1101 17.475,1102 9.062,1103 2.746,1104 -0.315,1105 16.829,1106 -0.15,1107 9.921,1108 12.098,1109 5.885,1110 19.305,1111 9.728,1112 2.653,1113 7.834,1114 18.506,1115 -0.745,1116 11.081,1117 13.727,1118 6.687,1119 21.426,1120 10.875,1121 2.547,1122 7.345,1123 20.187,1124 3.669,1125 11.896,1126 14.669,1127 7.245,1128 23.348,1129 11.667,1130 2.272,1131 7.273,1132 21.871,1133 3.457,1134 12.975,1135 16.194,1136 7.987,1137 25.419,1138 12.732,1139 2.176,1140 6.28,1141 23.559,1142 2.957,1143 13.864,1144 17.241,1145 8.59,1146 27.391,1147 13.598,1148 1.922,1149 6.087,1150 25.25,1151 2.822,1152 14.899,1153 18.693,1154 9.297,1155 29.44,1156 14.618,1157 1.416,1158 5.274,1159 26.942,1160 2.541,1161 15.83,1162 19.813,1163 9.926,1164 31.44,1165 15.528,1166 10512,1167 16204,1168 19.761,1169 35.063,1170 41.716,1171 42.745,1172 42.142,1173 41.283,1174 41.316,1175 51.923,1176 7.218,1177 107.55,1178 40.294,1179 5.059,1180 5.604,1181 5.436,1182 4.76,1183 4.746,1184 6.669,1185 3.404,1186 13.418,1187 4.698,1188 9.937,1189 1.438,1190 1.474,1191 1.453,1192 1.424,1193 1.425,1194 1.79,1195 0.249,1196 3.709,1197 1.389,1198 3.979,1199 4.023,1200 3.895,1201 3.898,1202 7.429,1203 3.891,1204 3.914,1205 3.941,1206 3.85,1207 3.843,1208 4.909,1209 3.841,1210 3.81,1211 3.86,1212 3.71,1213 3.679,1214 4.752,1215 3.676,1216 3.566,1217 3.62,1218 3.486,1219 3.333,1220 4.66,1221 3.363,1222 3.327,1223 3.387,1224 3.213,1225 3.105,1226 4.316,1227 3.124,1228 3.192,1229 3.272,1230 3.032,1231 2.976,1232 4.269,1233 2.977,1234 3.111,1235 3.206,1236 2.874,1237 2.941,1238 3.835,1239 2.91,1240 3.05,1241 3.124,1242 2.866,1243 2.83,1244 3.674,1245 2.824,1246 0.14,1247 0.124,1248 0.194,1249 0.128,1250 0.095,1251 4.059,1252 0.127,1253 3.604,1254 0.067,1255 5.634,1256 0.27,1257 3.725,1258 0.093,1259 2.746,1260 3.669,1261 1.94,1262 7.834,1263 2.698,1264 1.952,1265 1.917,1266 2.112,1267 2.07,1268 1.474,1269 2.086,1270 1.897,1271 1.874,1272 2.002,1273 1.998,1274 1.121,1275 1.999,1276 1.798,1277 1.745,1278 1.976,1279 1.942,1280 1.08,1281 1.956,1282 1.472,1283 1.42,1284 1.66,1285 1.735,1286 0.876,1287 1.71,1288 1.262,1289 1.203,1290 1.577,1291 1.54,1292 0.825,1293 1.55,1294 1.158,1295 1.085,1296 1.513,1297 1.429,1298 0.627,1299 1.441,1300 1.153,1301 1.064,1302 1.44,1303 1.376,1304 0.579,1305 1.429,1306 1.037,1307 0.956,1308 1.304,1309 1.265,1310 0.319,1311 1.287,1312 4.078,1314 5.333,1316 6.774,1318 8.292,1320 9.845,1322 1.633,1328 5.736,1329 2.616,1330 5.117,1332 0.708,1333 2.208,1340 32.815,1341 77.52,1342 181.015,1343 242.725,1344 263.254,1345 266.009,1346 266.009,1347 44.704,1348 7.025,1349 53.93,1350 53.93,1351 18,1352 11.996,1353 3.907,1354 3.17,1355 47.538,1356 135,1357 132,1358 0.166,1359 204.578,1360 359.74,1361 490.93,1362 11796,1364 18.899,1365 0.7,1366 0.585,1367 18.899,1368 15.804,1369 13.225,1370 0.456,1371 0.326,1372 9.331,1373 12.755,1374 9.085,1375 7.583,1376 13.225,1377 9.45,1378 11.193,1379 0.303,1380 0.189,1381 11.193,1382 6.976,1383 8.946,1384 0.203,1385 0.113,1386 8.946,1387 4.96,1388 6.967,1389 0.134,1390 0.065,1391 6.967,1392 3.403,1393 5.549,1394 0.088,1395 0.039,1396 5.549,1397 2.477,1398 0.276,1399 82.607,1400 0.225,1401 27.155,1402 0.415,1403 132,1404 359.094,1405 142.283,1406 347.099,1407 466.73,1408 326,1409 147,1410 330.394,1411 157.369,1412 338.075,1413 478.17,1414 315,1415 4.422}
{0 CHEMBL2323356,1 1.417,2 15.214,3 4.228,4 17.879,5 113.748,6 6.659,7 0.4,8 4.104,9 4.236,10 3.574,11 3.632,12 5.118,13 3.586,14 4.658,15 4.852,16 3.85,17 4.002,18 5.6,19 3.922,20 4.941,21 5.178,22 3.851,23 4.14,24 5.834,25 4.011,26 4.971,27 5.248,28 3.726,29 4.09,30 5.749,31 3.926,32 4.908,33 5.184,34 3.689,35 3.994,36 5.778,37 3.852,38 4.816,39 5.085,40 3.603,41 3.908,42 5.721,43 3.767,44 4.698,45 4.975,46 3.487,47 3.778,48 5.584,49 3.633,50 4.529,51 4.791,52 3.386,53 3.628,54 5.447,55 3.511,56 0.07,57 0.805,58 13.103,59 5.507,60 9.213,61 7.612,62 0.228,63 1.275,64 23.82,65 8.755,66 24.614,67 12.585,68 0.44,69 1.552,70 32.441,71 11.632,72 47.085,73 16.721,74 0.269,75 1.559,76 33.244,77 12.066,78 32.31,79 17.871,80 0.312,81 1.451,82 31.669,83 10.478,84 43.845,85 15.747,86 0.351,87 1.327,88 28.944,89 9.435,90 46.326,91 14.167,92 0.285,93 1.169,94 25.639,95 8.536,96 37.667,97 12.847,98 0.248,99 1.003,100 21.754,101 6.782,102 32.706,103 10.221,104 7,105 38,106 0.234,107 0.554,108 0.759,109 0.818,110 0.826,111 0.826,112 3.373,113 1.004,114 -4.62,115 -4.54,116 -4.27,121 40.4,122 1,123 3,124 1,127 4,144 9,145 2,146 1,157 1,160 1,172 1,176 14,180 6,183 1,187 16,191 2,192 5,195 1,197 1,200 11,205 1,206 4,211 2,214 9,219 4,224 4,227 7,231 1,232 8,237 1,239 3,244 8,247 1,249 1,256 6,261 1,264 2,268 1,269 3,274 3,277 5,281 1396,282 19.3,283 19.3,284 19.3,285 19.3,286 19.3,287 17.488,288 19.272,289 12.011,290 19.663,291 14.831,292 14.831,293 14.831,294 14.831,295 14.831,296 12.171,297 16.272,298 5.719,299 15.3,300 4.415,301 2.47,302 1.229,303 0.869,304 0.82,305 0.82,306 4.062,311 1,312 1,313 906,314 3.536,318 334.324,325 2.515,326 18.175,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 59.5,338 426,339 4.061,340 3.604,341 5.634,342 3.725,343 2.746,344 3.67,345 1.94,346 7.834,347 2.698,348 3.943,349 2.9,350 5.492,351 3.634,352 2.659,353 3.457,354 0.86,355 7.389,356 2.596,357 3.78,358 2.886,359 5.439,360 3.526,361 2.547,362 2.959,363 0.809,364 7.277,365 2.484,366 3.564,367 2.69,368 5.13,369 3.267,370 2.277,371 2.828,373 6.375,374 2.257,375 3.458,376 2.496,377 5.032,378 3.152,379 2.192,380 2.541,382 6.089,383 2.082,384 3.077,385 2.128,386 4.738,387 2.889,388 1.923,389 2.156,391 5.274,392 1.842,393 2.813,394 1.727,395 3.592,396 2.414,397 1.416,398 1.892,400 3.039,401 1.413,402 2.7,403 1.501,404 3.428,405 2.14,406 1.2,407 1.601,409 2.486,410 1.119,411 2.5,412 1.421,413 3.414,414 2,415 1.011,416 1.5,418 2.275,419 1,420 2.5,421 1.077,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.169,430 1,431 3.247,432 1.984,433 1,434 1.138,436 2.136,437 0.983,438 2,439 1,440 3.143,441 1.957,442 1,443 1,445 1.835,446 0.946,447 1.387,448 0.812,449 2.899,450 1.253,451 0.274,452 0.297,454 0.67,455 0.267,456 1.299,457 0.468,458 2.666,459 1.051,460 0.066,461 0.075,463 0.138,464 0.065,465 0.97,466 0.181,467 2.214,468 0.721,469 -0.256,470 -0.293,472 -0.584,473 -0.246,474 13.367,475 0.477,476 0.447,477 0.016,478 32.5,479 1.161,480 15.5,481 0.554,482 17,483 0.607,484 24.055,485 0.859,486 31.033,487 0.544,488 22.343,489 0.798,490 6.445,491 0.23,492 7.279,493 0.26,494 0.062,496 0.217,501 0.732,502 1.284,503 0.896,504 1.177,505 0.581,506 1.073,507 1.031,508 1.159,509 1.046,510 1.095,511 0.642,512 1.069,513 1.112,514 1.006,515 1.11,516 1.04,517 0.988,518 1.075,519 0.697,520 1.058,521 0.94,522 1.054,523 0.648,524 1.029,525 1.094,526 1.016,527 0.98,528 0.941,529 1.46,530 0.941,531 1.154,532 1.008,533 1.057,534 0.966,535 1.448,536 0.989,537 0.957,538 1.033,539 0.954,540 0.97,541 1.302,542 0.959,543 1.414,544 1.028,545 1.064,546 0.919,547 1.669,548 0.938,549 5,550 0.12,551 1.778,552 0.938,553 0.996,554 0.479,555 0.442,556 0.245,557 0.222,558 0.097,559 12180,560 27368,561 2.076,562 50.9,563 3,564 17,566 1,567 1,569 7,572 1.7,573 2,574 3.873,575 -0.394,577 1,582 80.796,583 1.417,584 3.363,585 4.604,586 4.964,587 5.013,588 5.013,589 3.404,590 3.968,591 4.776,592 4.049,593 1530.69,594 8.251,595 22625.3,597 1,599 1,600 332.475,601 1.095,602 4.765,603 0.167,604 0.006,605 0.047,606 0.026,607 0.032,608 0.016,609 0.016,610 0.01,611 0.01,612 0.004,613 0.334,614 0.33,615 1,616 0.787,617 147.161,618 0.069,619 -0.053,620 0.057,621 -0.045,622 0.029,623 -0.006,624 -0.018,625 -0.03,626 -0.063,627 -0.058,628 0.057,629 -0.063,630 0.004,631 0.012,632 -0.118,633 -0.045,634 0.012,635 -0.093,636 0.043,637 -0.094,638 0.019,639 -0.075,640 0.051,641 -0.039,642 -0.07,643 -0.042,644 0.014,645 0.003,646 -0.109,647 0.017,648 -0.048,649 -0.017,650 -0.055,651 -0.026,652 -0.094,653 -0.038,654 0.04,655 -0.063,656 0.037,657 -0.025,658 -0.021,659 0.001,660 -0.153,661 -0.021,662 -0.043,663 0.009,664 -0.164,665 -0.001,666 1.733,667 5.127,668 0.643,669 35.694,670 0.99,671 1.128,672 3.39,673 11.49,674 0.646,675 3.434,676 3.664,677 3.829,678 4.007,679 4.19,680 4.094,681 4.174,682 4.205,683 4.205,684 4.205,685 8.645,686 0.602,687 379.55,688 3.434,689 4.92,690 5.714,691 6.535,692 7.341,693 8.166,694 8.978,695 9.803,696 10.617,697 11.442,698 5.3,701 1,705 1,707 1,715 9,720 3,722 12,739 1,741 57,743 14,744 2,745 30,747 59,748 23,749 12,750 3,751 9,752 1,756 3,757 3,759 1,763 1,767 2,768 1,770 3,772 14,773 9,774 1,777 2,782 1,784 1,785 1,786 1,790 1,793 29,794 5,795 1,796 5,802 3,808 1,809 2,829 3,855 1,859 3,864 1,868 28,876 7,877 1,878 1,880 1,881 1,893 3.5,896 1,898 1,901 14,902 10.15,903 6.417,904 3.646,907 2.436,908 1.343,909 0.95,910 7.922,911 9.542,912 3.664,913 4.111,914 4.522,915 4.97,916 5.406,917 5.343,918 5.542,919 5.659,920 5.807,921 5.95,922 1,923 36,924 10.365,926 4.205,927 0.026,929 7.589,931 20.287,933 16.27,936 2.089,937 58.5,939 1,940 1,941 329.591,942 137.991,943 37.676,945 36.145,948 137.991,949 365.736,950 37.676,951 8.825,952 36.401,953 85.286,954 50.668,955 42.402,957 317.82,959 329.591,960 175.667,961 36.145,964 247.193,965 118.543,968 65.014,969 101.605,970 9.047,972 329.591,973 73.82,974 137.991,977 329.591,978 34.832,979 106.283,980 17.888,981 52.808,982 329.591,983 73.82,984 137.991,986 0.555,987 0.306,988 0.163,989 0.09,990 15,991 6,992 0.136,993 8,995 1,996 4.291,997 212.413,999 18,1000 122.606,1005 20.411,1006 10.867,1007 6.979,1009 73.82,1010 18.271,1015 3.159,1017 17.888,1018 541.402,1019 38,1024 12.127,1026 1.653,1027 4.061,1028 -0.066,1031 56.447,1032 64.311,1034 0.243,1035 0.576,1036 0.789,1037 0.851,1038 0.859,1039 0.859,1040 4.852,1041 1.2,1042 5.631,1043 3.039,1044 4.344,1045 4.796,1046 2.273,1047 6.293,1048 4.292,1049 5.978,1050 1.011,1051 7.089,1052 2.486,1053 3.611,1054 4.182,1055 1.668,1056 6.823,1057 3.545,1058 7.212,1059 1,1060 8.635,1061 2.275,1062 5.796,1063 6.754,1064 3.069,1065 9.838,1066 5.697,1067 8.472,1068 1,1069 10.232,1070 2.275,1071 5.861,1072 6.917,1073 3.089,1074 11.151,1075 5.747,1076 9.76,1077 1,1078 11.86,1079 2.136,1080 7.465,1081 8.968,1082 4.18,1083 13.611,1084 7.325,1085 11.065,1086 0.274,1087 13.507,1088 1.835,1089 7.928,1090 9.523,1091 4.502,1092 15.268,1093 7.77,1094 12.385,1095 0.066,1096 15.168,1097 0.67,1098 9.245,1099 11.312,1100 5.41,1101 17.497,1102 9.067,1103 2.746,1104 -0.256,1105 16.838,1106 0.138,1107 9.93,1108 12.101,1109 5.885,1110 19.328,1111 9.732,1112 2.659,1113 7.834,1114 18.515,1115 -0.584,1116 11.094,1117 13.731,1118 6.687,1119 21.45,1120 10.879,1121 2.547,1122 7.389,1123 20.196,1124 3.67,1125 11.907,1126 14.674,1127 7.245,1128 23.373,1129 11.671,1130 2.277,1131 7.277,1132 21.882,1133 3.457,1134 12.989,1135 16.198,1136 7.987,1137 25.444,1138 12.736,1139 2.192,1140 6.375,1141 23.57,1142 2.959,1143 13.876,1144 17.246,1145 8.59,1146 27.417,1147 13.602,1148 1.923,1149 6.089,1150 25.261,1151 2.828,1152 14.913,1153 18.697,1154 9.297,1155 29.466,1156 14.623,1157 1.416,1158 5.274,1159 26.954,1160 2.541,1161 15.844,1162 19.818,1163 9.926,1164 31.466,1165 15.532,1166 11717,1167 17697,1168 20.455,1169 36.824,1170 43.034,1171 43.973,1172 43.604,1173 42.637,1174 42.622,1175 53.229,1176 7.218,1177 110.185,1178 41.503,1179 5.061,1180 5.604,1181 5.436,1182 4.76,1183 4.746,1184 6.67,1185 3.404,1186 13.418,1187 4.698,1188 10.247,1189 1.434,1190 1.466,1191 1.453,1192 1.421,1193 1.421,1194 1.774,1195 0.241,1196 3.673,1197 1.383,1198 3.98,1199 4.024,1200 3.897,1201 3.899,1202 7.429,1203 3.892,1204 3.917,1205 3.944,1206 3.851,1207 3.844,1208 4.9,1209 3.843,1210 3.81,1211 3.861,1212 3.71,1213 3.679,1214 4.752,1215 3.676,1216 3.572,1217 3.626,1218 3.489,1219 3.336,1220 4.646,1221 3.366,1222 3.467,1223 3.534,1224 3.3,1225 3.266,1226 4.316,1227 3.26,1228 3.252,1229 3.335,1230 3.115,1231 3.051,1232 4.267,1233 3.058,1234 3.111,1235 3.206,1236 2.964,1237 2.941,1238 3.837,1239 2.934,1240 3.095,1241 3.152,1242 2.866,1243 2.937,1244 3.699,1245 2.91,1246 0.135,1247 0.12,1248 0.188,1249 0.124,1250 0.092,1251 4.061,1252 0.122,1253 3.604,1254 0.065,1255 5.634,1256 0.261,1257 3.725,1258 0.09,1259 2.746,1260 3.67,1261 1.94,1262 7.834,1263 2.698,1264 1.952,1265 1.917,1266 2.112,1267 2.07,1268 1.474,1269 2.086,1270 1.899,1271 1.876,1272 2.005,1273 2.001,1274 1.121,1275 2.002,1276 1.798,1277 1.745,1278 1.976,1279 1.943,1280 1.087,1281 1.956,1282 1.486,1283 1.429,1284 1.788,1285 1.749,1286 0.926,1287 1.746,1288 1.448,1289 1.381,1290 1.658,1291 1.682,1292 0.876,1293 1.692,1294 1.209,1295 1.136,1296 1.513,1297 1.456,1298 0.825,1299 1.459,1300 1.153,1301 1.064,1302 1.444,1303 1.376,1304 0.626,1305 1.429,1306 1.077,1307 1.022,1308 1.317,1309 1.285,1310 0.332,1311 1.303,1312 4.111,1314 5.361,1316 6.797,1318 8.311,1320 9.863,1322 1.955,1328 6.384,1329 2.627,1330 5.409,1332 0.708,1333 2.212,1340 34.342,1341 80.796,1342 191.667,1343 262.436,1344 282.965,1345 285.72,1346 285.72,1347 47.975,1348 7.107,1349 53.93,1350 53.93,1351 18,1352 12.021,1353 3.907,1354 3.17,1355 50.29,1356 146,1357 148,1358 0.162,1359 214.17,1360 377.04,1361 514.336,1362 13230,1364 19.606,1365 0.7,1366 0.59,1367 19.606,1368 16.512,1369 13.725,1370 0.457,1371 0.335,1372 9.926,1373 13.26,1374 9.681,1375 8.064,1376 13.725,1377 10.037,1378 11.574,1379 0.305,1380 0.19,1381 11.574,1382 7.204,1383 9.066,1384 0.201,1385 0.112,1386 9.066,1387 5.036,1388 7.256,1389 0.134,1390 0.065,1391 7.256,1392 3.53,1393 5.768,1394 0.089,1395 0.039,1396 5.768,1397 2.553,1398 0.271,1399 85.4,1400 0.221,1401 28.058,1402 0.404,1403 136,1404 363.094,1405 146.947,1406 350.707,1407 474.21,1408 330,1409 151,1410 339.303,1411 161.701,1412 343.57,1413 489.35,1414 323,1415 4.275}
{0 CHEMBL2332530,1 1.454,2 12.608,3 4.096,4 16.78,5 194.502,6 7.254,7 0.3,8 4.656,9 4.773,10 4.222,11 4.249,12 5.65,13 4.218,14 5.286,15 5.449,16 4.703,17 4.759,18 6.221,19 4.71,20 5.656,21 5.852,22 4.881,23 4.996,24 6.601,25 4.924,26 5.829,27 6.035,28 4.99,29 5.09,30 6.841,31 5.021,32 5.901,33 6.104,34 5.027,35 5.118,36 7.034,37 5.052,38 5.925,39 6.147,40 4.933,41 5.109,42 7.033,43 5.014,44 5.881,45 6.117,46 4.841,47 5.07,48 6.89,49 4.961,50 5.825,51 6.051,52 4.814,53 5.056,54 6.79,55 4.948,56 0.042,57 1.383,58 19.817,59 9.023,60 10.899,61 11.959,62 0.333,63 2.53,64 40.052,65 16.365,66 40.758,67 22.446,68 0.55,69 3.46,70 61.455,71 23.959,72 72.041,73 32.715,74 0.756,75 3.961,76 75.54,77 27.975,78 118.396,79 37.805,80 1.134,81 4.188,82 82.376,83 29.211,84 184.081,85 38.816,86 1.297,87 4.202,88 86.133,89 30.805,90 222.593,91 41.544,92 0.963,93 4.017,94 82.545,95 30.399,96 170.83,97 41.637,98 0.735,99 3.827,100 76.825,101 29.33,102 143.565,103 39.795,104 26,105 95,106 0.212,107 0.527,108 0.711,109 0.82,110 0.854,111 0.882,112 3.955,113 0.936,114 -4.72,115 -4.64,116 -4.36,121 44.7,122 1,123 7,124 1,125 1,127 4,129 2,132 2,137 1,138 1,144 12,145 4,146 2,158 1,160 3,176 22,179 1,180 16,183 2,185 4,187 25,191 2,192 13,195 2,197 6,200 24,205 3,206 20,211 5,214 23,218 4,219 24,222 2,224 5,227 25,231 4,232 20,235 2,237 1,239 28,243 1,244 22,247 1,249 2,251 25,256 20,261 5,264 29,268 2,269 12,274 5,277 36,281 5631,282 35.018,283 35.018,284 35.018,285 35.018,286 35.018,287 32.192,288 48.313,289 19.661,290 35.311,291 29.567,292 29.567,293 29.567,294 29.567,295 29.567,296 25.16,297 69.127,298 9.19,299 30.043,300 5.1,301 2.931,302 1.671,303 0.923,304 0.689,305 0.497,306 4.69,312 1,313 1490,314 4.69,317 600.091,318 510.855,320 352.682,321 321.42,325 1.52,326 66.591,329 0.75,330 0.5,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.73,337 108.5,338 643,339 5.185,340 4.571,341 9.087,342 5.108,343 4.123,344 4.397,345 2.086,346 19.713,347 4.064,348 4.961,349 4.379,350 8.511,351 4.851,352 3.875,353 4.253,354 2.086,355 17.408,356 3.782,357 4.369,358 3.846,359 7.301,360 4.126,361 3.134,362 3.808,363 1.943,364 12.204,365 3.108,366 4.063,367 3.672,368 6.289,369 3.742,370 2.767,371 3.607,372 1.277,373 9.177,374 2.697,375 3.991,376 3.176,377 6.275,378 3.711,379 2.74,380 3.336,381 0.942,382 9.112,383 2.675,384 3.916,385 3.164,386 6.074,387 3.636,388 2.648,389 3.245,390 0.942,391 8.591,392 2.597,393 3.814,394 2.798,395 5.931,396 3.578,397 2.6,398 3.027,399 0.736,400 8.02,401 2.533,402 3.57,403 2.798,404 5.856,405 3.318,406 2.325,407 2.782,408 0.357,409 7.555,410 2.303,411 3.503,412 2.727,413 5.753,414 3.271,415 2.283,416 2.618,417 0.357,418 7.27,419 2.251,420 3.494,421 2.577,422 5.441,423 3.171,424 2.168,425 2.614,426 0.079,427 6.693,428 2.17,429 3.244,430 2.472,431 5.355,432 2.946,433 1.949,434 2.388,435 0.047,436 6.094,437 1.941,438 3.145,439 2.376,440 5.151,441 2.915,442 1.912,443 2.221,444 0.047,445 5.567,446 1.907,447 3.027,448 2.232,449 5.085,450 2.742,451 1.759,452 2.134,454 5.275,455 1.719,456 2.903,457 2.12,458 4.882,459 2.715,460 1.738,461 1.97,463 5.242,464 1.69,465 2.839,466 1.927,467 4.526,468 2.359,469 1.354,470 1.97,472 3.673,473 1.358,474 24.333,475 0.477,476 1.506,477 0.03,478 60.75,479 1.191,480 26.5,481 0.52,482 34.25,483 0.672,484 67.02,485 1.314,486 53.667,487 0.571,488 60.081,489 1.178,490 10.884,491 0.213,492 13.884,493 0.272,494 0.075,495 0.062,496 0.337,501 0.642,502 1.24,503 0.773,504 1.018,505 0.489,506 0.924,507 0.644,508 1.149,509 0.835,510 0.977,511 0.486,512 0.929,513 0.893,514 1.082,515 0.951,516 1.038,517 0.834,518 1.002,519 1.202,520 1.08,521 0.972,522 1.013,523 1.246,524 0.969,525 1.463,526 1.064,527 1.087,528 1.033,529 1.544,530 1.015,531 1.334,532 0.987,533 1.098,534 0.997,535 1.407,536 1.015,537 1.157,538 0.955,539 1.033,540 0.975,541 1.166,542 0.986,543 1.172,544 0.996,545 1.053,546 1.008,547 1.213,548 1.018,549 12,550 0.959,551 8.889,552 7.41,553 4.796,554 2.954,555 2.093,556 1.18,557 1.109,558 0.897,559 46186,560 98858,561 2.228,562 45.7,563 3,564 23,567 2,568 2,569 13,572 1.867,573 2.089,574 3.527,575 0.02,582 136.715,583 1.454,584 3.624,585 4.884,586 5.632,587 5.866,588 6.057,589 2.868,590 5.437,591 5.647,592 3.735,593 4762.34,594 10.114,595 89083,600 616.131,601 1.593,602 5.6,603 0.2,604 0.008,605 0.094,606 0.068,607 0.04,608 0.025,609 0.019,610 0.012,611 0.011,612 0.008,613 0.486,614 0.33,615 0.75,616 0.44,617 297.178,618 -0.015,619 -0.08,620 0.074,621 0.022,622 -0.002,623 0.052,624 0.083,625 -0.016,626 0.064,627 0.026,628 0.036,629 0.039,630 0.024,631 -0.019,632 -0.002,633 -0.047,634 -0.009,635 -0.03,636 -0.028,637 -0.053,638 0.018,639 -0.033,640 -0.056,641 -0.006,642 -0.034,643 -0.038,644 -0.07,645 -0.069,646 -0.028,647 -0.073,648 -0.007,649 0.005,650 -0.077,651 -0.025,652 0.013,653 -0.054,654 -0.044,655 0.021,656 -0.027,657 0.01,658 -0.004,659 -0.002,660 -0.116,661 -0.02,662 -0.063,663 -0.01,664 -0.084,665 -0.027,666 2.464,667 8.325,668 0.843,669 52.992,670 0.996,671 1.119,672 3.492,673 12.192,674 0.674,675 4.111,676 4.564,677 5.024,678 5.468,679 5.787,680 6.026,681 6.267,682 6.447,683 6.616,684 6.795,685 7.749,686 0.638,687 681.9,688 4.111,689 5.74,690 6.688,691 7.664,692 8.641,693 9.63,694 10.619,695 11.614,696 12.609,697 13.608,698 5.3,701 2,705 3,715 12,720 6,722 18,741 94,743 23,744 3,745 60,747 103,748 42,749 18,750 6,751 12,752 3,756 10,757 14,763 1,764 1,766 1,767 8,768 3,770 9,772 24,773 18,774 3,777 5,782 4,784 1,786 5,793 43,794 9,795 2,796 9,802 5,808 0.3,809 4,825 4,828 6,829 4,831 2,832 2,841 1,843 2,844 1,849 1,850 1,855 2,859 3,864 1,868 51,876 11,877 2,880 3,881 3,882 3,893 4.3,896 4,901 24.417,902 17.1,903 10.646,904 6.218,907 2.467,908 1.233,909 1.018,910 6.948,911 13.079,912 4.317,913 4.909,914 5.5,915 6.077,916 6.582,917 6.847,918 7.216,919 7.561,920 7.793,921 8.077,922 1,923 109,924 19.404,926 9.303,927 0.026,929 7.649,931 37.581,933 34.976,936 2.149,937 109.583,941 482.615,942 198.87,943 45.394,945 100.58,948 198.87,949 583.195,950 45.394,951 8.825,952 65.31,953 123.191,954 119.827,955 27.69,957 482.615,959 482.615,960 244.264,961 100.58,964 329.591,965 253.604,968 80.384,969 154.404,970 9.476,972 482.615,973 145.974,974 198.87,977 482.615,978 66.853,979 141.389,980 36.022,981 100.58,982 482.615,983 145.974,984 198.87,986 0.605,987 0.387,988 0.237,989 0.135,990 56,991 23,992 0.029,993 3,994 4,995 1.256,996 5.279,997 697.588,998 0.186,999 46,1000 285.294,1005 31.629,1006 11.203,1007 4.101,1009 145.974,1010 23.817,1015 5.403,1017 36.022,1018 827.459,1019 74,1024 59.124,1026 1.937,1028 0.261,1031 93.607,1032 105.218,1034 0.222,1035 0.553,1036 0.745,1037 0.859,1038 0.895,1039 0.924,1040 5.665,1041 2.325,1042 6.753,1043 8.02,1044 5.252,1045 5.598,1046 3.386,1047 7.802,1048 5.221,1049 6.895,1050 2.283,1051 8.464,1052 7.555,1053 5.165,1054 5.521,1055 2.78,1056 9.47,1057 5.117,1058 8.263,1059 2.168,1060 10.307,1061 7.27,1062 7.102,1063 7.727,1064 4.348,1065 12.765,1066 7.033,1067 9.673,1068 1.949,1069 12.242,1070 6.693,1071 7.92,1072 8.472,1073 4.447,1074 15.374,1075 7.832,1076 11.13,1077 1.912,1078 14.245,1079 6.094,1080 9.413,1081 10.206,1082 5.581,1083 18.373,1084 9.307,1085 12.62,1086 1.759,1087 16.296,1088 5.567,1089 10.597,1090 11.313,1091 5.988,1092 21.239,1093 10.473,1094 14.139,1095 1.738,1096 18.384,1097 5.275,1098 11.987,1099 12.878,1100 6.924,1101 24.193,1102 11.846,1103 4.123,1104 1.354,1105 20.499,1106 5.242,1107 13.304,1108 14.158,1109 7.482,1110 27.123,1111 13.146,1112 3.875,1113 19.713,1114 22.633,1115 3.673,1116 14.683,1117 15.657,1118 8.318,1119 30.075,1120 14.507,1121 3.134,1122 17.408,1123 24.782,1124 4.397,1125 16.047,1126 17.021,1127 8.954,1128 33.025,1129 15.856,1130 2.767,1131 12.204,1132 26.941,1133 4.253,1134 17.431,1135 18.494,1136 9.738,1137 35.981,1138 17.224,1139 2.74,1140 9.177,1141 29.109,1142 3.808,1143 18.815,1144 19.903,1145 10.416,1146 38.939,1147 18.591,1148 2.648,1149 9.112,1150 31.282,1151 3.607,1152 20.205,1153 21.366,1154 11.173,1155 41.901,1156 19.966,1157 2.6,1158 8.591,1159 33.459,1160 3.336,1161 21.598,1162 22.8,1163 11.873,1164 44.864,1165 21.343,1166 40771,1167 59814,1168 40.857,1169 63.313,1170 95.778,1171 98.593,1172 100.47,1173 94.648,1174 94.661,1175 113.141,1176 21.804,1177 312.337,1178 93.356,1179 6.185,1180 6.571,1181 8.767,1182 6.172,1183 6.123,1184 7.397,1185 3.624,1186 29.704,1187 6.064,1188 21.65,1189 1.596,1190 1.643,1191 1.675,1192 1.577,1193 1.578,1194 1.886,1195 0.363,1196 5.206,1197 1.556,1198 4.172,1199 4.206,1200 4.122,1201 4.069,1202 7.435,1203 4.077,1204 4.083,1205 4.118,1206 4.036,1207 3.985,1208 7.427,1209 3.992,1210 3.943,1211 3.971,1212 3.884,1213 3.888,1214 7.425,1215 3.883,1216 3.839,1217 3.878,1218 3.765,1219 3.745,1220 7.422,1221 3.743,1222 3.819,1223 3.866,1224 3.724,1225 3.718,1226 4.801,1227 3.713,1228 3.741,1229 3.793,1230 3.642,1231 3.594,1232 4.753,1233 3.597,1234 3.546,1235 3.589,1236 3.443,1237 3.411,1238 4.747,1239 3.407,1240 3.406,1241 3.447,1242 3.319,1243 3.28,1244 4.395,1245 3.276,1246 0.086,1247 0.076,1248 0.151,1249 0.085,1250 0.069,1251 5.185,1252 0.073,1253 4.571,1254 0.035,1255 9.087,1256 0.329,1257 5.108,1258 0.068,1259 4.123,1260 4.397,1261 2.086,1262 19.713,1263 4.064,1264 1.975,1265 1.953,1266 2.081,1267 2.073,1268 1.42,1269 2.074,1270 1.906,1271 1.882,1272 2.018,1273 1.987,1274 1.375,1275 1.999,1276 1.899,1277 1.876,1278 2.004,1279 1.975,1280 1.219,1281 1.986,1282 1.806,1283 1.772,1284 1.947,1285 1.93,1286 1.196,1287 1.937,1288 1.714,1289 1.671,1290 1.917,1291 1.856,1292 1.163,1293 1.875,1294 1.598,1295 1.538,1296 1.843,1297 1.763,1298 1.113,1299 1.796,1300 1.545,1301 1.496,1302 1.77,1303 1.744,1304 1.097,1305 1.731,1306 1.508,1307 1.456,1308 1.699,1309 1.74,1310 1.005,1311 1.724,1312 4.796,1314 6.217,1315 4.111,1316 7.849,1317 6.648,1318 9.593,1319 8.909,1320 11.407,1322 2.035,1328 7.302,1329 6.342,1332 0.091,1333 6.537,1334 -3.266,1340 59.975,1341 136.715,1342 340.626,1343 459.073,1344 529.376,1345 551.376,1346 569.376,1347 122.071,1348 10.612,1349 102.06,1350 102.06,1351 54,1352 14.068,1353 4.585,1354 3.907,1355 59.951,1356 235,1357 272,1358 0.121,1359 348.688,1360 632.06,1361 842.558,1362 769207,1364 34.7,1365 0.68,1366 0.568,1367 34.7,1368 28.99,1369 24.768,1370 0.413,1371 0.312,1372 18.553,1373 24.119,1374 18.165,1375 14.787,1376 24.768,1377 18.724,1378 23.72,1379 0.25,1380 0.169,1381 23.72,1382 16.037,1383 22.456,1384 0.149,1385 0.09,1386 22.456,1387 13.628,1388 21.214,1389 0.09,1390 0.05,1391 21.214,1392 11.747,1393 18.369,1394 0.057,1395 0.027,1396 18.369,1397 8.897,1398 0.184,1399 153.337,1400 0.156,1401 41.801,1402 0.355,1403 310,1404 726.543,1405 331.43,1406 707.453,1407 993.17,1408 664,1409 401,1410 754.207,1411 426.455,1412 764.743,1413 1163.29,1414 726,1415 4.708}
{0 CHEMBL2332531,1 1.591,2 12.635,3 4.939,4 24.393,5 199.071,6 8.096,7 0.295,8 4.634,9 4.742,10 4.286,11 4.248,12 5.654,13 4.22,14 5.264,15 5.415,16 4.785,17 4.764,18 6.24,19 4.718,20 5.644,21 5.832,22 4.972,23 5.005,24 6.625,25 4.934,26 5.803,27 5.997,28 5.096,29 5.094,30 6.861,31 5.028,32 5.882,33 6.075,34 5.076,35 5.12,36 7.036,37 5.056,38 5.924,39 6.139,40 5.019,41 5.118,42 7.064,43 5.026,44 5.871,45 6.099,46 4.954,47 5.085,48 6.901,49 4.978,50 5.822,51 6.035,52 5.007,53 5.082,54 6.865,55 4.976,56 0.045,57 1.318,58 16.584,59 8.395,60 11.031,61 10.704,62 0.334,63 2.426,64 35.566,65 15.589,66 44.124,67 20.459,68 0.643,69 3.334,70 61.556,71 23.789,72 85.504,73 31,74 0.929,75 3.805,76 77.876,77 27.676,78 138.965,79 35.287,80 1.217,81 4.093,82 77.484,83 28.965,84 194.442,85 36.434,86 1.546,87 4.142,88 88.843,89 31.527,90 250.016,91 40.532,92 1.08,93 3.935,94 82.898,95 30.857,96 183.341,97 40.456,98 1.159,99 3.666,100 86.762,101 30.076,102 186.468,103 38.601,104 37,105 97,106 0.233,107 0.553,108 0.725,109 0.84,110 0.869,111 0.898,112 3.974,113 0.948,114 -5.42,115 -5.3,116 -4.96,121 45.1,123 7,124 1,125 1,127 4,129 2,132 2,137 1,138 1,144 11,145 3,146 4,158 1,160 3,176 17,179 1,180 16,183 2,185 4,187 23,191 2,192 13,195 2,197 6,200 22,205 3,206 20,211 5,214 25,218 4,219 22,222 2,224 5,227 23,231 4,232 22,235 2,237 1,239 28,243 1,244 18,247 1,249 2,251 23,256 21,261 4,264 27,268 2,269 11,274 6,277 33,281 5930,282 35.518,283 35.518,284 35.518,285 35.518,286 35.518,287 32.639,288 49.09,289 19.85,290 36.058,291 30.045,292 30.045,293 30.045,294 30.045,295 30.045,296 25.553,297 69.579,298 9.258,299 31.02,300 4.916,301 2.727,302 1.553,303 0.769,304 0.571,305 0.374,306 4.707,308 2,313 1517,314 4.743,317 613.788,318 522.412,320 360.746,321 328.451,325 1.513,326 75.737,329 0.5,330 0.5,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.7,337 111.167,338 657,339 5.185,340 4.571,341 9.087,342 5.108,343 4.123,344 4.398,345 2.086,346 19.713,347 4.064,348 4.961,349 4.379,350 8.511,351 4.851,352 3.875,353 4.253,354 2.086,355 17.408,356 3.782,357 4.39,358 3.846,359 7.302,360 4.129,361 3.138,362 3.958,363 1.943,364 12.205,365 3.109,366 4.22,367 3.672,368 6.289,369 3.804,370 2.859,371 3.7,372 1.277,373 9.181,374 2.703,375 3.993,376 3.214,377 6.276,378 3.739,379 2.766,380 3.336,381 0.942,382 9.14,383 2.686,384 3.934,385 3.176,386 6.134,387 3.687,388 2.727,389 3.254,390 0.942,391 8.874,392 2.601,393 3.821,394 3.154,395 6.051,396 3.589,397 2.614,398 3.027,399 0.736,400 8.568,401 2.532,402 3.57,403 2.798,404 5.884,405 3.309,406 2.335,407 2.81,408 0.357,409 7.619,410 2.269,411 3.503,412 2.798,413 5.85,414 3.269,415 2.284,416 2.619,417 0.357,418 7.497,419 2.248,420 3.495,421 2.726,422 5.693,423 3.151,424 2.17,425 2.617,426 0.079,427 7.108,428 2.122,429 3.331,430 2.583,431 5.441,432 2.936,433 2.016,434 2.48,435 0.047,436 6.096,437 1.912,438 3.146,439 2.463,440 5.153,441 2.911,442 1.93,443 2.221,444 0.047,445 5.735,446 1.744,447 3.036,448 2.372,449 5.085,450 2.744,451 1.761,452 2.144,454 5.276,455 1.703,456 2.903,457 2.202,458 4.955,459 2.715,460 1.738,461 1.97,463 5.242,464 1.69,465 2.839,466 1.935,467 4.535,468 2.359,469 1.433,470 1.97,472 3.745,473 1.358,474 25.262,475 0.486,476 1.596,477 0.031,478 61.75,479 1.188,480 26.5,481 0.51,482 35.25,483 0.678,484 70.533,485 1.356,486 54.538,487 0.599,488 61.356,489 1.18,490 11.004,491 0.212,492 14.174,493 0.273,494 0.109,495 0.059,496 0.344,501 0.61,502 1.233,503 0.602,504 0.922,505 0.478,506 0.862,507 0.62,508 1.166,509 0.668,510 0.911,511 0.478,512 0.898,513 0.87,514 1.06,515 0.838,516 0.976,517 0.816,518 0.964,519 1.103,520 1.083,521 0.807,522 0.976,523 1.199,524 0.96,525 1.275,526 1.082,527 0.821,528 0.993,529 1.452,530 1.014,531 1.139,532 0.985,533 0.873,534 0.975,535 1.29,536 1.01,537 1.025,538 0.958,539 0.782,540 0.908,541 1.102,542 0.956,543 1.081,544 0.961,545 1.016,546 1.001,547 1.161,548 1.002,549 12.5,550 0.988,551 9.333,552 7.722,553 4.987,554 3.009,555 2.156,556 1.27,557 1.257,558 1.001,559 48039,560 120821,561 2.211,562 42.9,564 22,567 2,568 2,569 13,572 1.871,573 2.059,574 3.528,575 0.05,582 144.809,583 1.591,584 3.78,585 4.955,586 5.739,587 5.936,588 6.134,589 2.854,590 5.624,591 5.676,592 3.737,593 4955.26,594 10.173,595 93904.5,600 592.209,601 1.635,602 5.623,603 0.205,604 0.008,605 0.096,606 0.069,607 0.041,608 0.025,609 0.019,610 0.012,611 0.012,612 0.009,613 0.496,614 0.33,615 0.75,616 0.469,617 304.447,618 -0.027,619 -0.082,620 0.035,621 0.017,622 0.002,623 0.046,624 0.053,625 -0.033,626 0.038,627 0.019,628 0.043,629 0.023,630 -0.006,631 -0.002,632 -0.007,633 -0.022,634 -0.007,635 -0.011,636 -0.038,637 -0.05,638 0.026,639 -0.027,640 -0.056,641 -0.013,642 -0.064,643 -0.045,644 -0.066,645 -0.068,646 -0.051,647 -0.088,648 0.014,649 0.009,650 -0.04,651 -0.024,652 0.023,653 -0.048,654 -0.039,655 0.022,656 0.036,657 0.056,658 -0.013,659 0.032,660 -0.038,661 0.006,662 -0.015,663 -0.003,664 -0.052,665 -0.008,666 2.523,667 8.368,668 0.827,669 54.154,670 1.004,671 1.117,672 4.194,673 17.593,674 0.695,675 4.127,676 4.585,677 5.043,678 5.485,679 5.799,680 6.04,681 6.279,682 6.461,683 6.637,684 6.819,685 7.797,686 0.66,687 736.75,688 4.127,689 5.759,690 6.708,691 7.685,692 8.661,693 9.65,694 10.637,695 11.632,696 12.626,697 13.624,698 5.5,701 2,705 3,715 11,720 7,722 18,740 2,741 91,743 23,744 3,745 61,747 100,748 41,749 18,750 7,751 11,752 3,756 10,757 14,758 2,764 1,766 1,767 8,768 3,770 9,772 24,773 17,774 3,777 5,782 4,784 1,786 5,793 39,794 9,795 2,796 11,797 2,802 5,808 0.3,809 4,825 4,828 6,829 4,831 2,832 2,841 1,843 2,844 1,849 1,850 1,855 2,859 3,865 2,868 52,876 11,877 2,880 3,881 3,882 3,892 2,893 4.4,896 4,901 25.25,902 16.302,903 10.84,904 5.991,907 2.501,908 1.235,909 1.019,910 7.467,911 13.137,912 4.331,913 4.931,914 5.524,915 6.104,916 6.604,917 6.88,918 7.232,919 7.583,920 7.824,921 8.118,922 1,923 112,924 19.773,926 9.539,927 0.026,929 7.721,931 37.928,933 35.292,936 2.221,937 115.472,941 435.531,942 184.384,943 45.394,944 78.297,945 100.58,948 184.384,949 614.408,950 45.394,952 65.31,953 113.715,954 119.827,955 31.506,957 435.531,958 78.297,959 435.531,960 229.778,961 100.58,962 78.297,964 282.506,965 253.604,968 71.559,969 148.743,970 87.774,972 435.531,973 145.974,974 262.681,977 435.531,978 70.669,979 123.088,980 36.022,981 178.877,982 435.531,983 145.974,984 262.681,986 0.607,987 0.39,988 0.238,989 0.134,990 57,991 24,992 0.03,993 3,994 4,995 1.256,996 5.303,997 717.153,998 0.186,999 46,1000 296.423,1005 33.079,1006 11.739,1007 4.339,1009 145.974,1010 20.721,1015 4.762,1017 36.022,1018 844.186,1019 75,1024 59.218,1026 1.784,1028 -0.067,1031 91.37,1032 101.691,1034 0.245,1035 0.581,1036 0.761,1037 0.882,1038 0.912,1039 0.943,1040 5.682,1041 2.335,1042 6.777,1043 8.568,1044 5.273,1045 5.62,1046 3.386,1047 7.825,1048 5.217,1049 6.917,1050 2.284,1051 8.488,1052 7.619,1053 5.198,1054 5.574,1055 2.78,1056 9.485,1057 5.109,1058 8.288,1059 2.17,1060 10.331,1061 7.497,1062 7.125,1063 7.762,1064 4.348,1065 12.778,1066 7.027,1067 9.701,1068 2.016,1069 12.265,1070 7.108,1071 7.945,1072 8.53,1073 4.447,1074 15.379,1075 7.828,1076 11.159,1077 1.93,1078 14.264,1079 6.096,1080 9.433,1081 10.254,1082 5.581,1083 18.377,1084 9.304,1085 12.65,1086 1.761,1087 16.312,1088 5.735,1089 10.614,1090 11.378,1091 5.988,1092 21.241,1093 10.471,1094 14.168,1095 1.738,1096 18.397,1097 5.276,1098 12.001,1099 12.938,1100 6.924,1101 24.194,1102 11.845,1103 4.123,1104 1.433,1105 20.509,1106 5.242,1107 13.316,1108 14.226,1109 7.482,1110 27.124,1111 13.146,1112 3.875,1113 19.713,1114 22.641,1115 3.745,1116 14.692,1117 15.722,1118 8.318,1119 30.076,1120 14.508,1121 3.138,1122 17.408,1123 24.787,1124 4.398,1125 16.054,1126 17.09,1127 8.954,1128 33.025,1129 15.856,1130 2.859,1131 12.205,1132 26.945,1133 4.253,1134 17.437,1135 18.56,1136 9.738,1137 35.981,1138 17.224,1139 2.766,1140 9.181,1141 29.111,1142 3.958,1143 18.819,1144 19.97,1145 10.416,1146 38.939,1147 18.592,1148 2.727,1149 9.14,1150 31.283,1151 3.7,1152 20.208,1153 21.431,1154 11.173,1155 41.901,1156 19.966,1157 2.614,1158 8.874,1159 33.46,1160 3.336,1161 21.6,1162 22.863,1163 11.873,1164 44.864,1165 21.343,1166 42561,1167 67711,1168 41.263,1169 63.267,1170 97.532,1171 100.903,1172 102.72,1173 96.721,1174 96.463,1175 115.158,1176 21.804,1177 319.423,1178 93.472,1179 6.185,1180 6.571,1181 8.767,1182 6.172,1183 6.123,1184 7.398,1185 3.624,1186 29.705,1187 6.064,1188 24.093,1189 1.599,1190 1.654,1191 1.684,1192 1.586,1193 1.581,1194 1.888,1195 0.357,1196 5.236,1197 1.532,1198 4.171,1199 4.205,1200 4.147,1201 4.069,1202 7.435,1203 4.077,1204 4.083,1205 4.118,1206 4.062,1207 3.985,1208 7.427,1209 3.992,1210 3.936,1211 3.954,1212 4.036,1213 3.891,1214 7.425,1215 3.883,1216 3.836,1217 3.874,1218 3.792,1219 3.744,1220 7.422,1221 3.742,1222 3.819,1223 3.865,1224 3.724,1225 3.718,1226 5.023,1227 3.713,1228 3.736,1229 3.785,1230 3.662,1231 3.59,1232 4.783,1233 3.593,1234 3.543,1235 3.585,1236 3.582,1237 3.409,1238 4.752,1239 3.405,1240 3.402,1241 3.441,1242 3.443,1243 3.267,1244 4.634,1245 3.266,1246 0.085,1247 0.075,1248 0.149,1249 0.084,1250 0.068,1251 5.185,1252 0.072,1253 4.571,1254 0.034,1255 9.087,1256 0.323,1257 5.108,1258 0.067,1259 4.123,1260 4.398,1261 2.086,1262 19.713,1263 4.064,1264 1.964,1265 1.945,1266 2.051,1267 2.065,1268 1.42,1269 2.062,1270 1.902,1271 1.878,1272 2.008,1273 1.979,1274 1.375,1275 1.99,1276 1.89,1277 1.87,1278 1.976,1279 1.957,1280 1.217,1281 1.969,1282 1.794,1283 1.764,1284 1.927,1285 1.909,1286 1.196,1287 1.919,1288 1.713,1289 1.671,1290 1.91,1291 1.853,1292 1.14,1293 1.873,1294 1.594,1295 1.535,1296 1.831,1297 1.761,1298 1.101,1299 1.792,1300 1.544,1301 1.495,1302 1.767,1303 1.744,1304 1.082,1305 1.729,1306 1.507,1307 1.454,1308 1.697,1309 1.739,1310 0.997,1311 1.723,1312 4.812,1314 6.236,1315 4.111,1316 7.871,1317 6.648,1318 9.616,1319 8.909,1320 11.429,1323 12.938,1328 6.856,1329 6.299,1332 -0.021,1333 6.416,1334 -3.433,1340 60.104,1341 144.809,1342 344.02,1343 450.871,1344 522.209,1345 540.209,1346 558.209,1347 131.282,1348 10.636,1349 102.06,1350 102.06,1351 54,1352 14.085,1353 4.585,1354 3.907,1355 61.621,1356 241,1357 270,1358 0.122,1359 355.761,1360 645.18,1361 859.817,1362 786760,1363 2.2,1364 35.57,1365 0.684,1366 0.58,1367 36.57,1368 30.181,1369 25.178,1370 0.413,1371 0.316,1372 18.408,1373 23.929,1374 18.023,1375 14.587,1376 25.756,1377 19.275,1378 24.249,1379 0.25,1380 0.172,1381 25.028,1382 16.636,1383 22.899,1384 0.149,1385 0.091,1386 23.515,1387 14.065,1388 21.688,1389 0.09,1390 0.051,1391 22.369,1392 12.153,1393 18.507,1394 0.056,1395 0.028,1396 18.904,1397 9.056,1398 0.184,1399 162.152,1400 0.156,1401 42.396,1402 0.356,1403 316,1404 786.95,1405 368.469,1406 822.717,1407 1123.94,1408 768,1409 409,1410 798.933,1411 455.924,1412 827.064,1413 1257.31,1414 785,1415 5.157}
{0 CHEMBL2332532,1 1.555,2 12.717,3 3.505,4 12.282,5 196.786,6 7.665,7 0.29,8 4.66,9 4.771,10 4.265,11 4.235,12 5.725,13 4.219,14 5.282,15 5.434,16 4.743,17 4.748,18 6.342,19 4.715,20 5.657,21 5.849,22 4.92,23 4.986,24 6.658,25 4.929,26 5.828,27 6.025,28 5.032,29 5.083,30 6.905,31 5.031,32 5.902,33 6.094,34 5.063,35 5.118,36 7.086,37 5.065,38 5.939,39 6.158,40 4.962,41 5.109,42 7.07,43 5.024,44 5.884,45 6.112,46 4.896,47 5.068,48 6.937,49 4.974,50 5.852,51 6.071,52 4.893,53 5.053,54 6.947,55 4.965,56 0.158,57 1.407,58 18.113,59 8.652,60 16.939,61 11.037,62 0.466,63 2.536,64 37.049,65 15.815,66 76.233,67 20.879,68 0.673,69 3.463,70 59.13,71 23.323,72 97.631,73 31.099,74 0.992,75 3.935,76 73.175,77 27.176,78 166.15,79 35.569,80 1.337,81 4.173,82 79.337,83 28.6,84 223.332,85 36.818,86 1.575,87 4.211,88 86.3,89 30.759,90 268.5,91 40.764,92 1.213,93 4.02,94 81.371,95 29.85,96 200.751,97 40.339,98 1.357,99 3.868,100 78.771,101 28.932,102 253.815,103 38.511,104 38,105 98,106 0.226,107 0.545,108 0.712,109 0.828,110 0.866,111 0.894,112 3.992,113 0.91,114 -4.75,115 -4.66,116 -4.38,121 44.1,123 7,124 1,125 1,127 4,129 2,132 2,137 1,138 1,144 12,145 3,146 3,158 1,160 3,168 2,176 19,179 2,180 18,183 2,185 4,187 21,191 2,192 19,195 2,197 6,200 20,205 3,206 26,211 5,214 21,218 4,219 29,222 2,224 5,227 24,231 4,232 20,235 2,237 1,239 26,243 3,244 23,247 1,249 2,251 24,255 4,256 19,261 5,264 26,268 4,269 15,274 4,277 32,281 6338,282 36.225,283 36.225,284 36.225,285 36.225,286 36.225,287 33.147,288 50.841,289 20.337,290 36.575,291 30.552,292 30.552,293 30.552,294 30.552,295 30.552,296 25.736,297 72.799,298 9.476,299 31.106,300 4.984,301 2.785,302 1.642,303 0.843,304 0.581,305 0.387,306 4.725,313 1550,314 5,317 630.813,318 536.744,320 370.721,321 337.136,325 1.549,326 84.751,329 0.5,330 0.5,331 0.67,332 0.6,333 0.5,334 0.5,335 0.5,336 0.54,337 115,338 674,339 5.185,340 4.571,341 9.087,342 5.108,343 4.123,344 4.397,345 2.612,346 19.713,347 4.064,348 4.961,349 4.379,350 8.511,351 4.851,352 3.875,353 4.253,354 2.086,355 17.408,356 3.782,357 4.379,358 3.846,359 7.301,360 4.126,361 3.135,362 4.001,363 2.086,364 12.204,365 3.109,366 4.266,367 3.779,368 6.289,369 3.803,370 2.823,371 3.746,372 1.943,373 9.178,374 2.767,375 3.995,376 3.672,377 6.275,378 3.74,379 2.766,380 3.367,381 1.277,382 9.115,383 2.693,384 3.965,385 3.176,386 6.076,387 3.694,388 2.73,389 3.335,390 0.942,391 8.613,392 2.629,393 3.852,394 3.164,395 5.994,396 3.593,397 2.617,398 3.109,399 0.942,400 8.514,401 2.545,402 3.717,403 2.798,404 5.908,405 3.404,406 2.422,407 2.987,408 0.736,409 7.819,410 2.372,411 3.504,412 2.798,413 5.855,414 3.273,415 2.288,416 2.625,417 0.357,418 7.546,419 2.252,420 3.503,421 2.672,422 5.739,423 3.205,424 2.205,425 2.617,426 0.357,427 7.218,428 2.2,429 3.389,430 2.53,431 5.441,432 3.02,433 2.02,434 2.529,435 0.079,436 6.166,437 2.014,438 3.146,439 2.41,440 5.203,441 2.925,442 1.929,443 2.221,444 0.047,445 6.065,446 1.911,447 3.04,448 2.356,449 5.137,450 2.744,451 1.76,452 2.151,453 0.047,454 5.275,455 1.721,456 2.904,457 2.191,458 5.085,459 2.715,460 1.738,461 1.99,463 5.242,464 1.69,465 2.888,466 1.931,467 4.527,468 2.359,469 1.354,470 1.97,472 3.674,473 1.358,474 24.9,475 0.47,476 1.596,477 0.03,478 65.5,479 1.236,480 29.5,481 0.557,482 36,483 0.679,484 67.131,485 1.267,486 56.1,487 0.603,488 67.848,489 1.28,490 11.869,491 0.224,492 13.809,493 0.261,494 0.08,495 0.06,496 0.345,501 0.518,502 1.217,503 0.713,504 0.997,505 0.459,506 0.905,507 0.554,508 1.174,509 0.803,510 1.005,511 0.418,512 0.95,513 0.768,514 1.073,515 0.906,516 1.038,517 0.675,518 0.997,519 1.071,520 1.07,521 0.962,522 1.015,523 1.065,524 0.975,525 1.219,526 1.071,527 1.09,528 1.07,529 1.217,530 1.057,531 1.1,532 0.966,533 1.075,534 0.995,535 1.113,536 1.027,537 0.921,538 0.965,539 1.005,540 1.012,541 0.898,542 1.02,543 1.008,544 0.948,545 1.015,546 0.963,547 1.034,548 0.99,549 12.5,550 1.066,551 9.111,552 7.785,553 4.876,554 3.079,555 2.094,556 1.241,557 1.159,558 1.017,559 50564,560 126134,561 2.207,562 43,564 23,567 2,568 2,569 13,572 1.876,573 2.058,574 3.551,575 0.061,582 144.585,583 1.555,584 3.754,585 4.898,586 5.697,587 5.959,588 6.152,589 2.903,590 5.313,591 5.702,592 3.769,593 5194.37,594 10.227,595 100168,600 608.142,601 1.623,602 5.651,603 0.202,604 0.008,605 0.093,606 0.069,607 0.039,608 0.025,609 0.019,610 0.012,611 0.011,612 0.009,613 0.486,614 0.17,615 0.63,616 0.572,617 312.395,618 0.073,619 -0.04,620 0.07,621 0.041,622 0.017,623 0.048,624 0.101,625 -0.037,626 0.042,627 0.007,628 0.102,629 0.012,630 0.006,631 -0.013,632 0.012,633 -0.038,634 0.013,635 -0.014,636 -0.067,637 -0.05,638 0.003,639 -0.025,640 -0.062,641 -0.002,642 -0.076,643 -0.051,644 -0.108,645 -0.093,646 -0.046,647 -0.103,648 -0.036,649 0.007,650 -0.07,651 -0.008,652 -0.02,653 -0.039,654 -0.011,655 0.006,656 -0.013,657 -0.015,658 0.002,659 -0.013,660 -0.022,661 0.016,662 -0.021,663 0.039,664 -0.011,665 0.013,666 2.579,667 8.343,668 0.811,669 57.237,670 1.006,671 1.122,672 3.518,673 12.378,674 0.674,675 4.143,676 4.595,677 5.05,678 5.489,679 5.802,680 6.043,681 6.286,682 6.461,683 6.636,684 6.822,685 7.962,686 0.649,687 712.87,688 4.143,689 5.771,690 6.718,691 7.692,692 8.666,693 9.653,694 10.64,695 11.633,696 12.626,697 13.624,698 6.5,701 2,705 3,709 1,715 12,720 6,722 18,735 1,741 93,743 25,744 3,745 62,747 102,748 41,749 18,750 6,751 12,752 3,756 10,757 14,764 1,766 1,767 8,768 3,770 9,772 24,773 17,774 3,777 7,779 1,782 6,784 1,786 5,793 40,794 11,795 2,796 12,802 6,808 0.3,809 6,825 4,828 6,829 4,831 2,832 2,841 1,843 2,844 1,849 1,850 1,855 2,859 3,868 53,876 11,877 2,880 3,881 3,882 3,893 6.5,896 4,899 2,901 25.75,902 16.633,903 11.09,904 6.085,907 2.599,908 1.244,909 1.01,910 7.326,911 13.259,912 4.369,913 4.966,914 5.548,915 6.122,916 6.627,917 6.907,918 7.299,919 7.613,920 7.866,921 8.173,922 1,923 113,924 20.188,926 9.779,927 0.026,929 7.832,931 38.337,933 35.51,936 2.332,937 123.583,941 447.302,942 189.616,943 51.064,945 151.327,948 189.616,949 598.628,950 51.064,951 5.67,952 65.31,953 123.191,954 119.827,955 27.261,957 447.302,958 50.747,959 447.302,960 240.68,961 151.327,964 294.278,965 253.604,966 50.747,968 71.559,969 153.975,970 15.146,972 447.302,973 202.391,974 189.616,977 447.302,978 66.425,979 138.234,980 36.022,981 151.327,982 447.302,983 202.391,984 189.616,986 0.605,987 0.387,988 0.235,989 0.133,990 57,991 24,992 0.039,993 4,994 4,995 1.256,996 5.374,997 731.524,998 0.186,999 46,1000 301.58,1005 33.079,1006 11.739,1007 4.337,1009 196.721,1010 21.479,1015 3.496,1017 36.022,1018 839.309,1019 78,1021 -0.47,1024 82.594,1026 1.667,1028 -0.37,1031 93.596,1032 104.305,1034 0.238,1035 0.574,1036 0.749,1037 0.871,1038 0.911,1039 0.941,1040 5.712,1041 2.422,1042 6.783,1043 8.514,1044 5.283,1045 5.656,1046 3.707,1047 7.828,1048 5.249,1049 6.947,1050 2.288,1051 8.492,1052 7.819,1053 5.198,1054 5.613,1055 3.247,1056 9.486,1057 5.145,1058 8.316,1059 2.205,1060 10.333,1061 7.546,1062 7.13,1063 7.802,1064 4.942,1065 12.778,1066 7.055,1067 9.727,1068 2.02,1069 12.266,1070 7.218,1071 7.945,1072 8.577,1073 5.165,1074 15.379,1075 7.852,1076 11.183,1077 1.929,1078 14.264,1079 6.166,1080 9.435,1081 10.297,1082 6.473,1083 18.377,1084 9.323,1085 12.672,1086 1.76,1087 16.312,1088 6.065,1089 10.614,1090 11.425,1091 7.004,1092 21.24,1093 10.486,1094 14.188,1095 1.738,1096 18.396,1097 5.275,1098 12.001,1099 12.98,1100 8.144,1101 24.194,1102 11.856,1103 4.123,1104 1.354,1105 20.508,1106 5.242,1107 13.315,1108 14.27,1109 8.844,1110 27.123,1111 13.154,1112 3.875,1113 19.713,1114 22.64,1115 3.674,1116 14.691,1117 15.761,1118 9.9,1119 30.076,1120 14.513,1121 3.135,1122 17.408,1123 24.787,1124 4.397,1125 16.053,1126 17.13,1127 10.7,1128 33.025,1129 15.86,1130 2.823,1131 12.204,1132 26.945,1133 4.253,1134 17.436,1135 18.597,1136 11.713,1137 35.981,1138 17.227,1139 2.766,1140 9.178,1141 29.111,1142 4.001,1143 18.818,1144 20.006,1145 12.575,1146 38.939,1147 18.594,1148 2.73,1149 9.115,1150 31.283,1151 3.746,1152 20.208,1153 21.463,1154 13.564,1155 41.901,1156 19.968,1157 2.617,1158 8.613,1159 33.46,1160 3.367,1161 21.599,1162 22.894,1163 14.464,1164 44.864,1165 21.344,1166 44963,1167 71220,1168 41.956,1169 62.705,1170 98.97,1171 102.988,1172 103.835,1173 97.874,1174 97.873,1175 118.773,1176 27.029,1177 322.136,1178 96.378,1179 6.185,1180 6.571,1181 8.767,1182 6.172,1183 6.123,1184 7.397,1185 4.612,1186 29.704,1187 6.064,1188 24.556,1189 1.596,1190 1.661,1191 1.675,1192 1.579,1193 1.579,1194 1.916,1195 0.436,1196 5.196,1197 1.554,1198 4.174,1199 4.208,1200 4.125,1201 4.069,1202 7.815,1203 4.078,1204 4.083,1205 4.118,1206 4.036,1207 3.985,1208 7.435,1209 3.992,1210 3.988,1211 4.014,1212 3.951,1213 3.886,1214 7.427,1215 3.891,1216 3.848,1217 3.885,1218 3.787,1219 3.744,1220 7.425,1221 3.745,1222 3.819,1223 3.866,1224 3.724,1225 3.718,1226 7.422,1227 3.713,1228 3.753,1229 3.805,1230 3.658,1231 3.591,1232 6.999,1233 3.599,1234 3.562,1235 3.6,1236 3.493,1237 3.41,1238 4.792,1239 3.408,1240 3.485,1241 3.518,1242 3.406,1243 3.273,1244 4.752,1245 3.28,1246 0.084,1247 0.074,1248 0.147,1249 0.082,1250 0.066,1251 5.185,1252 0.071,1253 4.571,1254 0.042,1255 9.087,1256 0.318,1257 5.108,1258 0.066,1259 4.123,1260 4.397,1261 2.612,1262 19.713,1263 4.064,1264 1.976,1265 1.954,1266 2.069,1267 2.103,1268 1.42,1269 2.084,1270 1.906,1271 1.882,1272 2.012,1273 2.029,1274 1.375,1275 2.012,1276 1.899,1277 1.876,1278 2,1279 1.978,1280 1.217,1281 1.987,1282 1.805,1283 1.772,1284 1.943,1285 1.939,1286 1.196,1287 1.941,1288 1.714,1289 1.671,1290 1.916,1291 1.858,1292 1.145,1293 1.876,1294 1.597,1295 1.538,1296 1.839,1297 1.768,1298 1.103,1299 1.797,1300 1.544,1301 1.496,1302 1.769,1303 1.745,1304 1.091,1305 1.731,1306 1.508,1307 1.456,1308 1.698,1309 1.741,1310 1,1311 1.724,1312 4.828,1314 6.248,1315 4.111,1316 7.878,1317 6.648,1318 9.619,1319 8.909,1320 11.43,1328 6.395,1329 6.242,1332 -0.14,1333 6.283,1334 -3.593,1340 60.373,1341 144.585,1342 349.146,1343 455.473,1344 529.777,1345 554.142,1346 572.142,1347 141.293,1348 10.66,1349 147.88,1350 147.88,1351 54,1352 14.085,1353 4.7,1354 4.087,1355 63.332,1356 250,1357 266,1358 0.12,1359 350.955,1360 640.7,1361 848.09,1362 806279,1364 36.277,1365 0.684,1366 0.552,1367 36.277,1368 29.254,1369 25.678,1370 0.414,1371 0.303,1372 18.598,1373 24.781,1374 18.305,1375 14.857,1376 25.678,1377 18.813,1378 24.63,1379 0.251,1380 0.163,1381 24.63,1382 15.979,1383 23.087,1384 0.149,1385 0.088,1386 23.087,1387 13.632,1388 21.802,1389 0.09,1390 0.049,1391 21.802,1392 11.813,1393 18.697,1394 0.057,1395 0.027,1396 18.697,1397 8.858,1398 0.182,1399 160.7,1400 0.154,1401 43.091,1402 0.351,1403 320,1404 849.659,1405 347.607,1406 816.808,1407 1123.21,1408 760,1409 413,1410 845.572,1411 444.274,1412 847.17,1413 1279.39,1414 802,1415 4.575}
{0 CHEMBL2332533,1 1.539,2 12.176,3 3.816,4 14.559,5 189.678,6 7.537,7 0.3,8 4.633,9 4.746,10 4.226,11 4.222,12 5.665,13 4.201,14 5.262,15 5.419,16 4.711,17 4.733,18 6.247,19 4.695,20 5.642,21 5.838,22 4.897,23 4.967,24 6.641,25 4.908,26 5.803,27 6.003,28 5.002,29 5.062,30 6.867,31 5.007,32 5.883,33 6.078,34 5.039,35 5.101,36 7.046,37 5.045,38 5.925,39 6.144,40 4.963,41 5.095,42 7.098,43 5.01,44 5.871,45 6.103,46 4.871,47 5.051,48 6.918,49 4.954,50 5.823,51 6.046,52 4.864,53 5.028,54 6.905,55 4.939,56 0.035,57 1.417,58 18.118,59 8.699,60 12.143,61 11.089,62 0.317,63 2.578,64 37.209,65 15.791,66 45.831,67 20.896,68 0.598,69 3.541,70 59.563,71 23.411,72 91.914,73 30.983,74 0.855,75 4.002,76 72.324,77 26.972,78 146.738,79 35.082,80 1.182,81 4.197,82 78.944,83 28.487,84 201.348,85 36.71,86 1.602,87 4.315,88 85.816,89 30.632,90 280.951,91 40.394,92 1.032,93 4.088,94 81.294,95 29.974,96 191.798,97 40.116,98 1.132,99 4.094,100 77.358,101 28.932,102 212.55,103 37.597,104 26,105 95,106 0.225,107 0.544,108 0.708,109 0.828,110 0.869,111 0.898,112 3.955,113 0.921,114 -4.91,115 -4.81,116 -4.51,121 45.1,123 7,124 1,125 1,127 4,129 2,132 2,137 1,138 1,144 12,145 3,146 3,158 1,160 3,176 19,179 1,180 16,183 2,185 4,187 20,191 2,192 13,195 2,197 6,200 20,205 3,206 20,211 5,214 22,218 4,219 22,222 2,224 5,227 23,231 4,232 20,235 2,237 1,239 26,243 1,244 20,247 1,249 2,251 23,256 17,261 4,264 25,268 2,269 12,274 5,277 31,281 5557,282 35.07,283 35.07,284 35.07,285 35.07,286 35.07,287 32.217,288 47.515,289 19.717,290 35.415,291 29.562,292 29.562,293 29.562,294 29.562,295 29.562,296 25.142,297 68.318,298 9.185,299 30.146,300 4.969,301 2.794,302 1.668,303 0.852,304 0.571,305 0.374,306 4.69,312 1,313 1439,314 4.69,317 595.313,318 507.566,320 349.74,321 319.374,325 1.428,326 79.878,329 0.75,330 0.5,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.73,337 110,338 621,339 5.185,340 4.571,341 9.087,342 5.108,343 4.123,344 4.398,345 2.086,346 19.713,347 4.064,348 4.961,349 4.379,350 8.511,351 4.851,352 3.875,353 4.253,354 2.086,355 17.408,356 3.782,357 4.384,358 3.846,359 7.302,360 4.129,361 3.137,362 3.897,363 1.943,364 12.205,365 3.111,366 4.171,367 3.672,368 6.289,369 3.787,370 2.812,371 3.669,372 1.277,373 9.179,374 2.737,375 3.992,376 3.176,377 6.276,378 3.738,379 2.765,380 3.336,381 0.942,382 9.132,383 2.691,384 3.925,385 3.171,386 6.117,387 3.683,388 2.721,389 3.227,390 0.942,391 8.784,392 2.612,393 3.812,394 3.091,395 6.043,396 3.587,397 2.613,398 3.016,399 0.736,400 8.558,401 2.536,402 3.516,403 2.798,404 5.879,405 3.293,406 2.307,407 2.638,408 0.357,409 7.597,410 2.271,411 3.503,412 2.798,413 5.848,414 3.266,415 2.275,416 2.617,417 0.357,418 7.468,419 2.248,420 3.456,421 2.59,422 5.684,423 3.125,424 2.125,425 2.57,426 0.079,427 7.066,428 2.118,429 3.146,430 2.466,431 5.441,432 2.927,433 1.932,434 2.221,435 0.047,436 6.094,437 1.912,438 3.043,439 2.372,440 5.153,441 2.747,442 1.763,443 2.154,444 0.047,445 5.276,446 1.724,447 2.903,448 2.202,449 5.085,450 2.715,451 1.738,452 2.038,454 5.242,455 1.69,456 2.878,457 1.935,458 4.54,459 2.448,460 1.45,461 1.97,463 3.826,464 1.447,465 2.839,466 1.86,467 4.482,468 2.376,469 1.414,470 1.97,472 3.666,473 1.358,474 24.119,475 0.473,476 1.489,477 0.029,478 61,479 1.196,480 26.5,481 0.52,482 34.5,483 0.676,484 66.046,485 1.295,486 53.881,487 0.592,488 61.658,489 1.209,490 11.062,491 0.217,492 13.722,493 0.269,494 0.067,495 0.062,496 0.34,499 1,501 0.597,502 1.154,503 0.728,504 1.006,505 0.474,506 0.907,507 0.608,508 1.104,509 0.816,510 0.997,511 0.482,512 0.945,513 0.842,514 1.027,515 0.911,516 1.015,517 0.779,518 0.977,519 1.122,520 1.021,521 0.977,522 1.004,523 1.144,524 0.969,525 1.228,526 0.99,527 1.08,528 1.046,529 1.294,530 1.037,531 1.101,532 0.904,533 1.068,534 0.986,535 1.168,536 1.016,537 1.004,538 0.931,539 1.003,540 0.986,541 1.016,542 0.993,543 1.172,544 1.001,545 1.047,546 0.978,547 1.217,548 0.992,549 11.5,550 0.873,551 9.111,552 7.535,553 4.796,554 2.954,555 2.076,556 1.214,557 1.179,558 0.909,559 45762,560 106834,561 2.228,562 44,564 23,567 2,568 2,569 13,572 1.867,573 2.089,574 3.495,575 0.039,582 140.063,583 1.539,584 3.714,585 4.84,586 5.656,587 5.936,588 6.134,589 2.73,590 5.516,591 5.649,592 3.704,593 4722.32,594 10.117,595 88220,600 592.209,601 1.593,602 5.6,603 0.192,604 0.008,605 0.096,606 0.068,607 0.04,608 0.024,609 0.019,610 0.012,611 0.012,612 0.008,613 0.479,614 0.33,615 0.75,616 0.44,617 296.713,618 -0.023,619 -0.073,620 0.065,621 0.022,622 0.001,623 0.051,624 0.051,625 -0.048,626 0.04,627 -0.003,628 0.033,629 0.012,630 0.005,631 -0.022,632 0.021,633 -0.03,634 0.004,635 -0.006,636 -0.065,637 -0.037,638 -0.006,639 -0.027,640 -0.067,641 -0.009,642 -0.059,643 -0.051,644 -0.095,645 -0.086,646 -0.051,647 -0.095,648 0.038,649 0.029,650 -0.06,651 -0.015,652 0.042,653 -0.048,654 -0.037,655 -0.025,656 -0.008,657 -0.004,658 -0.013,660 -0.057,661 0.02,662 -0.042,663 0.021,664 -0.049,665 -0.003,666 2.559,667 8.247,668 0.843,669 51.569,670 1.003,671 1.122,672 3.676,673 13.512,674 0.676,675 4.111,676 4.564,677 5.03,678 5.472,679 5.787,680 6.028,681 6.271,682 6.452,683 6.624,684 6.801,685 7.657,686 0.647,687 685.86,688 4.111,689 5.74,690 6.691,691 7.667,692 8.645,693 9.634,694 10.624,695 11.619,696 12.614,697 13.613,698 5.5,701 2,705 3,715 12,720 6,722 18,740 1,741 91,743 23,744 3,745 60,747 100,748 41,749 18,750 6,751 12,752 3,756 10,757 14,764 1,766 1,767 8,768 3,770 9,772 24,773 17,774 3,777 5,782 4,784 1,786 5,791 1,793 40,794 10,795 2,796 10,802 5,808 0.3,809 4,825 4,828 6,829 4,831 2,832 2,841 1,843 2,844 1,849 1,850 1,855 2,859 3,866 1,868 51,876 11,877 2,880 3,881 3,882 3,892 1,893 4.4,896 4,901 24.417,902 16.243,903 10.674,904 6.011,907 2.483,908 1.234,909 1.022,910 6.915,911 13.094,912 4.317,913 4.909,914 5.506,915 6.084,916 6.581,917 6.845,918 7.213,919 7.555,920 7.797,921 8.081,922 0.875,923 110,924 19.484,926 9.474,927 0.026,929 7.766,931 37.227,933 34.707,936 2.266,937 115.583,941 447.302,942 195.98,943 45.394,945 100.58,946 14.96,948 195.98,949 547.882,950 60.355,952 65.31,953 123.191,954 119.827,955 33.625,956 14.96,957 447.302,959 447.302,960 241.374,961 115.54,964 309.238,965 253.604,968 71.559,969 160.339,970 9.476,972 462.262,973 145.974,974 195.98,977 447.302,978 72.789,979 132.564,980 36.022,981 115.54,982 447.302,983 160.934,984 195.98,986 0.604,987 0.391,988 0.239,989 0.134,990 56,991 23,992 0.03,993 3,994 4,995 1.256,996 5.254,997 700.406,998 0.186,999 46,1000 289.294,1005 31.57,1006 11.171,1007 4.032,1009 160.934,1010 21.755,1015 2.984,1017 36.022,1018 804.216,1019 74,1024 58.923,1026 1.586,1028 -0.347,1031 91.236,1032 102.142,1034 0.237,1035 0.571,1036 0.744,1037 0.869,1038 0.912,1039 0.943,1040 5.665,1041 2.307,1042 6.756,1043 8.558,1044 5.252,1045 5.598,1046 3.386,1047 7.808,1048 5.214,1049 6.895,1050 2.275,1051 8.469,1052 7.597,1053 5.165,1054 5.521,1055 2.78,1056 9.477,1057 5.106,1058 8.264,1059 2.125,1060 10.315,1061 7.468,1062 7.106,1063 7.731,1064 4.348,1065 12.772,1066 7.028,1067 9.676,1068 1.932,1069 12.252,1070 7.066,1071 7.927,1072 8.486,1073 4.447,1074 15.378,1075 7.83,1076 11.135,1077 1.763,1078 14.254,1079 6.094,1080 9.421,1081 10.221,1082 5.581,1083 18.376,1084 9.307,1085 12.627,1086 1.738,1087 16.305,1088 5.276,1089 10.605,1090 11.339,1091 5.988,1092 21.24,1093 10.475,1094 14.148,1095 1.45,1096 18.392,1097 5.242,1098 11.995,1099 12.905,1100 6.924,1101 24.194,1102 11.848,1103 4.123,1104 1.414,1105 20.506,1106 3.826,1107 13.311,1108 14.191,1109 7.482,1110 27.124,1111 13.148,1112 3.875,1113 19.713,1114 22.639,1115 3.666,1116 14.688,1117 15.689,1118 8.318,1119 30.076,1120 14.51,1121 3.137,1122 17.408,1123 24.786,1124 4.398,1125 16.052,1126 17.058,1127 8.954,1128 33.025,1129 15.858,1130 2.812,1131 12.205,1132 26.944,1133 4.253,1134 17.435,1135 18.529,1136 9.738,1137 35.981,1138 17.225,1139 2.765,1140 9.179,1141 29.111,1142 3.897,1143 18.817,1144 19.939,1145 10.416,1146 38.939,1147 18.593,1148 2.721,1149 9.132,1150 31.283,1151 3.669,1152 20.207,1153 21.401,1154 11.173,1155 41.901,1156 19.967,1157 2.613,1158 8.784,1159 33.46,1160 3.336,1161 21.599,1162 22.834,1163 11.873,1164 44.864,1165 21.344,1166 40384,1167 61869,1168 40.857,1169 61.489,1170 95.744,1171 98.959,1172 100.665,1173 94.685,1174 94.665,1175 113.15,1176 21.804,1177 312.766,1178 92.982,1179 6.185,1180 6.571,1181 8.775,1182 6.172,1183 6.123,1184 7.398,1185 3.624,1186 29.705,1187 6.064,1188 21.41,1189 1.596,1190 1.649,1191 1.678,1192 1.578,1193 1.578,1194 1.886,1195 0.363,1196 5.213,1197 1.55,1198 4.171,1199 4.205,1200 4.122,1201 4.067,1202 8.201,1203 4.076,1204 4.083,1205 4.118,1206 4.036,1207 3.985,1208 7.435,1209 3.992,1210 3.935,1211 3.962,1212 3.889,1213 3.867,1214 7.427,1215 3.868,1216 3.835,1217 3.875,1218 3.763,1219 3.74,1220 7.425,1221 3.739,1222 3.819,1223 3.865,1224 3.724,1225 3.718,1226 7.422,1227 3.712,1228 3.735,1229 3.787,1230 3.638,1231 3.584,1232 4.789,1233 3.589,1234 3.542,1235 3.586,1236 3.439,1237 3.408,1238 4.752,1239 3.404,1240 3.401,1241 3.441,1242 3.318,1243 3.263,1244 4.671,1245 3.263,1246 0.086,1247 0.076,1248 0.151,1249 0.085,1250 0.069,1251 5.185,1252 0.073,1253 4.571,1254 0.035,1255 9.087,1256 0.329,1257 5.108,1258 0.068,1259 4.123,1260 4.398,1261 2.086,1262 19.713,1263 4.064,1264 1.964,1265 1.943,1266 2.06,1267 2.071,1268 1.42,1269 2.066,1270 1.902,1271 1.878,1272 2.009,1273 1.981,1274 1.375,1275 1.991,1276 1.891,1277 1.867,1278 1.993,1279 1.969,1280 1.216,1281 1.978,1282 1.796,1283 1.762,1284 1.939,1285 1.924,1286 1.196,1287 1.928,1288 1.713,1289 1.671,1290 1.915,1291 1.855,1292 1.138,1293 1.874,1294 1.595,1295 1.535,1296 1.838,1297 1.762,1298 1.1,1299 1.793,1300 1.544,1301 1.495,1302 1.769,1303 1.744,1304 1.077,1305 1.73,1306 1.507,1307 1.454,1308 1.698,1309 1.739,1310 0.996,1311 1.723,1312 4.796,1314 6.217,1315 4.111,1316 7.851,1317 6.648,1318 9.598,1319 8.909,1320 11.413,1324 15.196,1328 6.552,1329 6.251,1332 -0.086,1333 6.306,1334 -3.536,1340 58.832,1341 140.063,1342 337.968,1343 440.396,1344 514.7,1345 540.209,1346 558.209,1347 133.048,1348 10.612,1349 102.06,1350 102.06,1351 54,1352 14.074,1353 4.585,1354 3.907,1355 59.93,1356 233,1357 235,1358 0.123,1359 340.294,1360 620.83,1361 822.076,1362 769207,1363 1.1,1364 34.7,1365 0.68,1366 0.556,1367 33.829,1368 28.368,1369 24.785,1370 0.413,1371 0.307,1372 18.223,1373 24.024,1374 17.929,1375 14.537,1376 24.374,1377 18.419,1378 23.616,1379 0.249,1380 0.165,1381 23.098,1382 15.648,1383 22.579,1384 0.149,1385 0.088,1386 22.045,1387 13.445,1388 21.353,1389 0.09,1390 0.049,1391 21.072,1392 11.663,1393 18.302,1394 0.056,1395 0.027,1396 18.078,1397 8.768,1398 0.186,1399 154.304,1400 0.156,1401 41.721,1402 0.36,1403 310,1404 812.654,1405 335.261,1406 760.56,1407 1052.57,1408 712,1409 402,1410 788.541,1411 430.947,1412 790.414,1413 1203.71,1414 751,1415 4.609}
{0 CHEMBL2332534,1 1.539,2 12.176,3 4.275,4 18.271,5 194.266,6 7.718,7 0.3,8 4.631,9 4.743,10 4.246,11 4.236,12 5.642,13 4.208,14 5.261,15 5.416,16 4.736,17 4.749,18 6.219,19 4.703,20 5.639,21 5.833,22 4.928,23 4.989,24 6.605,25 4.919,26 5.8,27 5.997,28 5.022,29 5.08,30 6.839,31 5.015,32 5.881,33 6.076,34 5.058,35 5.115,36 7.031,37 5.051,38 5.922,39 6.139,40 4.998,41 5.111,42 7.058,43 5.019,44 5.869,45 6.099,46 4.913,47 5.074,48 6.895,49 4.967,50 5.817,51 6.035,52 4.934,53 5.067,54 6.827,55 4.959,56 0.022,57 1.33,58 17.78,59 8.538,60 9.744,61 11.052,62 0.293,63 2.444,64 37.002,65 15.679,66 41.171,67 20.939,68 0.542,69 3.358,70 60.74,71 23.586,72 77.603,73 31.388,74 0.76,75 3.817,76 74.573,77 27.352,78 125.024,79 35.676,80 1.106,81 4.096,82 79.498,83 28.794,84 185.496,85 36.925,86 1.426,87 4.147,88 88.808,89 31.139,90 241.142,91 40.81,92 0.965,93 3.941,94 82.838,95 30.486,96 176.974,97 40.635,98 0.931,99 3.694,100 83.5,101 29.649,102 165.853,103 38.837,104 26,105 95,106 0.225,107 0.544,108 0.708,109 0.828,110 0.869,111 0.898,112 3.955,113 0.94,114 -4.99,115 -4.89,116 -4.59,121 45.1,123 7,124 1,125 1,127 4,129 2,132 2,137 1,138 1,144 12,145 3,146 3,158 1,160 3,176 19,179 1,180 16,183 2,185 4,187 22,191 2,192 13,195 2,197 6,200 23,205 3,206 20,211 5,214 24,218 4,219 22,222 2,224 5,227 23,231 4,232 22,235 2,237 1,239 27,243 1,244 20,247 1,249 2,251 24,256 19,261 4,264 27,268 2,269 13,274 6,277 34,281 5557,282 35.07,283 35.07,284 35.07,285 35.07,286 35.07,287 32.217,288 47.489,289 19.717,290 35.474,291 29.562,292 29.562,293 29.562,294 29.562,295 29.562,296 25.142,297 68.297,298 9.185,299 30.274,300 4.969,301 2.794,302 1.668,303 0.852,304 0.571,305 0.374,306 4.69,308 1,312 1,313 1439,314 4.69,317 595.313,318 507.566,320 349.74,321 319.374,325 1.428,326 71.287,329 0.75,330 0.5,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.73,337 108.833,338 621,339 5.185,340 4.571,341 9.087,342 5.108,343 4.123,344 4.398,345 2.086,346 19.713,347 4.064,348 4.961,349 4.379,350 8.511,351 4.851,352 3.875,353 4.253,354 2.086,355 17.408,356 3.782,357 4.384,358 3.846,359 7.302,360 4.128,361 3.137,362 3.897,363 1.943,364 12.205,365 3.109,366 4.171,367 3.672,368 6.289,369 3.77,370 2.812,371 3.669,372 1.277,373 9.179,374 2.699,375 3.992,376 3.176,377 6.276,378 3.738,379 2.765,380 3.336,381 0.942,382 9.132,383 2.681,384 3.925,385 3.173,386 6.117,387 3.679,388 2.721,389 3.227,390 0.942,391 8.784,392 2.595,393 3.812,394 3.105,395 6.043,396 3.586,397 2.613,398 3.016,399 0.736,400 8.558,401 2.528,402 3.516,403 2.798,404 5.879,405 3.291,406 2.307,407 2.638,408 0.357,409 7.597,410 2.263,411 3.503,412 2.798,413 5.848,414 3.265,415 2.275,416 2.617,417 0.357,418 7.468,419 2.246,420 3.456,421 2.591,422 5.684,423 3.122,424 2.125,425 2.57,426 0.079,427 7.066,428 2.107,429 3.146,430 2.467,431 5.441,432 2.927,433 1.932,434 2.221,435 0.047,436 6.094,437 1.912,438 3.043,439 2.372,440 5.153,441 2.747,442 1.763,443 2.154,444 0.047,445 5.276,446 1.723,447 2.903,448 2.203,449 5.085,450 2.715,451 1.738,452 2.038,454 5.242,455 1.69,456 2.878,457 1.935,458 4.54,459 2.446,460 1.45,461 1.97,463 3.826,464 1.445,465 2.839,466 1.867,467 4.482,468 2.359,469 1.414,470 1.97,472 3.666,473 1.358,474 24.548,475 0.481,476 1.489,477 0.029,478 61,479 1.196,480 26.5,481 0.52,482 34.5,483 0.676,484 67.378,485 1.321,486 53.452,487 0.587,488 60.326,489 1.183,490 10.931,491 0.214,492 13.853,493 0.272,494 0.083,495 0.061,496 0.334,501 0.623,502 1.233,503 0.664,504 0.962,505 0.479,506 0.886,507 0.631,508 1.168,509 0.74,510 0.952,511 0.487,512 0.923,513 0.872,514 1.059,515 0.857,516 0.984,517 0.813,518 0.963,519 1.185,520 1.078,521 0.943,522 1.005,523 1.238,524 0.97,525 1.374,526 1.077,527 0.96,528 1.022,529 1.504,530 1.023,531 1.21,532 0.981,533 0.985,534 0.993,535 1.326,536 1.012,537 1.091,538 0.957,539 0.9,540 0.94,541 1.131,542 0.971,543 1.157,544 0.955,545 1.091,546 0.992,547 1.202,548 0.998,549 11.5,550 0.873,551 9.111,552 7.535,553 4.796,554 2.954,555 2.076,556 1.214,557 1.179,558 0.909,559 45762,560 106834,561 2.228,562 44,564 23,567 2,568 2,569 13,572 1.867,573 2.089,574 3.495,575 0.039,582 140.063,583 1.539,584 3.714,585 4.84,586 5.656,587 5.936,588 6.134,589 2.73,590 5.516,591 5.649,592 3.704,593 4722.32,594 10.117,595 88220,600 592.209,601 1.593,602 5.6,603 0.192,604 0.008,605 0.096,606 0.068,607 0.04,608 0.024,609 0.019,610 0.012,611 0.012,612 0.008,613 0.479,614 0.33,615 0.75,616 0.44,617 296.713,618 -0.023,619 -0.082,620 0.05,621 0.019,622 0.002,623 0.049,624 0.063,625 -0.035,626 0.037,627 0.009,628 0.034,629 0.016,630 0.013,631 -0.002,632 0.02,633 -0.015,635 -0.001,636 -0.06,637 -0.049,638 -0.024,639 -0.04,640 -0.066,641 -0.017,642 -0.059,643 -0.047,644 -0.082,645 -0.077,646 -0.049,647 -0.092,648 0.026,649 0.008,650 -0.044,651 -0.028,652 0.031,653 -0.049,654 -0.043,655 0.018,656 0.016,657 0.036,658 -0.01,659 0.016,660 -0.083,661 0.011,662 -0.028,663 0.014,664 -0.076,665 -0.003,666 2.498,667 8.327,668 0.843,669 51.569,670 1.001,671 1.118,672 3.76,673 14.136,674 0.686,675 4.111,676 4.564,677 5.03,678 5.472,679 5.787,680 6.028,681 6.271,682 6.452,683 6.624,684 6.801,685 7.657,686 0.651,687 702.31,688 4.111,689 5.74,690 6.691,691 7.667,692 8.645,693 9.634,694 10.624,695 11.619,696 12.614,697 13.613,698 5.5,701 2,705 3,715 12,720 6,722 18,740 1,741 91,743 23,744 3,745 60,747 100,748 41,749 18,750 6,751 12,752 3,756 10,757 14,758 1,764 1,766 1,767 8,768 3,770 9,772 24,773 17,774 3,777 5,782 4,784 1,786 5,793 40,794 9,795 2,796 10,797 1,802 5,808 0.3,809 4,825 4,828 6,829 4,831 2,832 2,841 1,843 2,844 1,849 1,850 1,855 2,859 3,865 1,868 51,876 11,877 2,880 3,881 3,882 3,892 1,893 4.4,896 4,901 24.417,902 16.243,903 10.674,904 6.011,907 2.483,908 1.234,909 1.02,910 7.095,911 13.094,912 4.317,913 4.909,914 5.506,915 6.084,916 6.581,917 6.845,918 7.213,919 7.555,920 7.797,921 8.081,922 0.875,923 110,924 19.403,926 9.351,927 0.026,929 7.69,931 37.367,933 34.815,936 2.19,937 111.694,941 447.302,942 190.36,943 45.394,944 39.149,945 100.58,948 190.36,949 587.03,950 45.394,952 65.31,953 123.191,954 119.827,955 28.005,957 447.302,958 39.149,959 447.302,960 235.754,961 100.58,962 39.149,964 294.278,965 253.604,968 71.559,969 154.719,970 48.625,972 447.302,973 145.974,974 229.508,977 447.302,978 67.168,979 132.564,980 36.022,981 139.728,982 447.302,983 145.974,984 229.508,986 0.604,987 0.391,988 0.239,989 0.134,990 56,991 23,992 0.03,993 3,994 4,995 1.256,996 5.254,997 700.406,998 0.186,999 46,1000 289.294,1005 31.892,1006 11.346,1007 4.108,1009 145.974,1010 23.038,1015 4.525,1017 36.022,1018 822.784,1019 74,1024 59.112,1026 1.829,1028 0.053,1031 91.047,1032 101.747,1034 0.237,1035 0.571,1036 0.744,1037 0.869,1038 0.912,1039 0.943,1040 5.665,1041 2.307,1042 6.756,1043 8.558,1044 5.252,1045 5.598,1046 3.386,1047 7.808,1048 5.208,1049 6.895,1050 2.275,1051 8.469,1052 7.597,1053 5.165,1054 5.521,1055 2.78,1056 9.477,1057 5.095,1058 8.264,1059 2.125,1060 10.315,1061 7.468,1062 7.106,1063 7.731,1064 4.348,1065 12.772,1066 7.02,1067 9.676,1068 1.932,1069 12.252,1070 7.066,1071 7.927,1072 8.486,1073 4.447,1074 15.378,1075 7.822,1076 11.135,1077 1.763,1078 14.254,1079 6.094,1080 9.421,1081 10.221,1082 5.581,1083 18.376,1084 9.3,1085 12.627,1086 1.738,1087 16.305,1088 5.276,1089 10.605,1090 11.339,1091 5.988,1092 21.24,1093 10.469,1094 14.148,1095 1.45,1096 18.392,1097 5.242,1098 11.995,1099 12.905,1100 6.924,1101 24.194,1102 11.843,1103 4.123,1104 1.414,1105 20.506,1106 3.826,1107 13.311,1108 14.191,1109 7.482,1110 27.124,1111 13.145,1112 3.875,1113 19.713,1114 22.639,1115 3.666,1116 14.688,1117 15.689,1118 8.318,1119 30.076,1120 14.507,1121 3.137,1122 17.408,1123 24.786,1124 4.398,1125 16.052,1126 17.058,1127 8.954,1128 33.025,1129 15.856,1130 2.812,1131 12.205,1132 26.944,1133 4.253,1134 17.435,1135 18.529,1136 9.738,1137 35.981,1138 17.223,1139 2.765,1140 9.179,1141 29.111,1142 3.897,1143 18.817,1144 19.939,1145 10.416,1146 38.939,1147 18.591,1148 2.721,1149 9.132,1150 31.283,1151 3.669,1152 20.207,1153 21.401,1154 11.173,1155 41.901,1156 19.966,1157 2.613,1158 8.784,1159 33.46,1160 3.336,1161 21.599,1162 22.834,1163 11.873,1164 44.864,1165 21.343,1166 40384,1167 61869,1168 40.857,1169 62.41,1170 95.744,1171 98.99,1172 100.665,1173 94.761,1174 94.665,1175 113.15,1176 21.804,1177 312.766,1178 92.54,1179 6.185,1180 6.571,1181 8.775,1182 6.172,1183 6.123,1184 7.398,1185 3.624,1186 29.705,1187 6.064,1188 21.41,1189 1.596,1190 1.65,1191 1.678,1192 1.579,1193 1.578,1194 1.886,1195 0.363,1196 5.213,1197 1.542,1198 4.171,1199 4.205,1200 4.13,1201 4.068,1202 7.435,1203 4.076,1204 4.083,1205 4.118,1206 4.037,1207 3.985,1208 7.427,1209 3.992,1210 3.932,1211 3.955,1212 3.999,1213 3.881,1214 7.425,1215 3.874,1216 3.834,1217 3.874,1218 3.782,1219 3.742,1220 7.422,1221 3.74,1222 3.819,1223 3.865,1224 3.724,1225 3.718,1226 4.945,1227 3.713,1228 3.735,1229 3.785,1230 3.648,1231 3.586,1232 4.782,1233 3.59,1234 3.542,1235 3.586,1236 3.444,1237 3.409,1238 4.752,1239 3.404,1240 3.401,1241 3.441,1242 3.323,1243 3.263,1244 4.407,1245 3.263,1246 0.086,1247 0.076,1248 0.151,1249 0.085,1250 0.069,1251 5.185,1252 0.073,1253 4.571,1254 0.035,1255 9.087,1256 0.329,1257 5.108,1258 0.068,1259 4.123,1260 4.398,1261 2.086,1262 19.713,1263 4.064,1264 1.965,1265 1.945,1266 2.057,1267 2.067,1268 1.42,1269 2.065,1270 1.902,1271 1.878,1272 2.009,1273 1.979,1274 1.375,1275 1.99,1276 1.892,1277 1.87,1278 1.989,1279 1.962,1280 1.217,1281 1.975,1282 1.796,1283 1.764,1284 1.938,1285 1.917,1286 1.196,1287 1.926,1288 1.713,1289 1.671,1290 1.915,1291 1.854,1292 1.14,1293 1.874,1294 1.595,1295 1.535,1296 1.837,1297 1.762,1298 1.101,1299 1.793,1300 1.544,1301 1.495,1302 1.769,1303 1.744,1304 1.083,1305 1.73,1306 1.507,1307 1.454,1308 1.698,1309 1.739,1310 0.997,1311 1.723,1312 4.796,1314 6.217,1315 4.111,1316 7.851,1317 6.648,1318 9.598,1319 8.909,1320 11.413,1323 6.663,1328 7.038,1329 6.313,1332 0.028,1333 6.46,1334 -3.364,1340 59.276,1341 140.063,1342 337.968,1343 440.396,1344 514.7,1345 540.209,1346 558.209,1347 125.251,1348 10.612,1349 102.06,1350 102.06,1351 54,1352 14.074,1353 4.585,1354 3.907,1355 59.93,1356 233,1357 235,1358 0.123,1359 347.428,1360 629.97,1361 839.485,1362 769207,1363 1.1,1364 34.7,1365 0.68,1366 0.571,1367 35.2,1368 29.124,1369 24.785,1370 0.413,1371 0.313,1372 18.278,1373 23.844,1374 17.929,1375 14.537,1376 25.073,1377 18.797,1378 23.616,1379 0.249,1380 0.169,1381 23.986,1382 16.055,1383 22.579,1384 0.149,1385 0.091,1386 22.959,1387 13.789,1388 21.353,1389 0.09,1390 0.05,1391 21.607,1392 11.854,1393 18.302,1394 0.056,1395 0.027,1396 18.52,1397 8.913,1398 0.186,1399 156.614,1400 0.156,1401 41.721,1402 0.36,1403 310,1404 752.747,1405 346.95,1406 760.56,1407 1052.57,1408 712,1409 402,1410 772.07,1411 439.165,1412 790.414,1413 1203.71,1414 751,1415 4.865}
{0 CHEMBL2332535,1 1.56,2 9.259,3 5.054,4 25.54,5 111.36,6 9.052,7 0.414,8 3.864,9 3.954,10 3.597,11 3.548,12 5.059,13 3.507,14 4.35,15 4.478,16 3.982,17 3.922,18 5.531,19 3.865,20 4.623,21 4.772,22 4.146,23 4.084,24 5.843,25 4.002,26 4.72,27 4.899,28 3.993,29 4.028,30 5.93,31 3.932,32 4.556,33 4.711,34 4.044,35 4.002,36 5.771,37 3.93,38 4.73,39 4.903,40 4.221,41 4.046,42 6.145,43 3.985,44 4.619,45 4.782,46 4.073,47 4.014,48 5.896,49 3.933,50 4.623,51 4.802,52 3.983,53 3.946,54 5.951,55 3.829,56 0.024,57 0.508,58 5.81,59 3.598,60 8.482,61 4.482,62 0.139,63 0.852,64 11.964,65 6.021,66 13.92,67 7.459,68 0.161,69 1.063,70 20.679,71 8.846,72 39.974,73 10.781,74 0.548,75 1.16,76 31.224,77 10.118,78 90.328,79 11.166,80 0.135,81 1.001,82 19.252,83 8.329,84 33.099,85 10.291,86 0.649,87 1.169,88 31.036,89 10.067,90 104.061,91 11.683,92 0.246,93 1.075,94 20.027,95 8.7,96 53.629,97 10.185,98 0.516,99 1.006,100 30.864,101 9.721,102 83.841,103 11.222,104 28,105 40,106 0.267,107 0.559,108 0.691,109 0.765,110 0.78,111 0.78,112 3.341,113 0.943,114 -5.39,115 -5.27,116 -4.93,121 50,127 2,136 1,137 3,138 2,144 8,145 2,146 2,158 1,160 1,176 13,179 1,180 6,187 17,192 6,200 18,205 1,206 6,214 15,219 6,227 10,231 1,232 15,239 13,244 7,251 14,256 6,264 17,269 2,277 16,281 1091,282 18.077,283 18.077,284 18.077,285 18.077,286 18.077,287 15.842,288 14.312,289 10.617,290 18.343,291 14.206,292 14.206,293 14.206,294 14.206,295 14.206,296 10.748,297 14.982,298 4.952,299 14.721,300 3.9,301 2.201,302 1.426,303 1,304 0.909,305 0.909,306 4.019,308 2,311 1,312 1,313 525,314 3.162,318 273.526,325 1.454,326 31.962,329 0.75,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.84,337 57.167,338 250,339 4.43,340 3.742,341 6.501,342 4.105,343 3.11,344 3.956,345 1.259,346 10.156,347 3.101,348 4.209,349 3.526,350 6.059,351 3.764,352 2.813,353 3.837,354 0.577,355 8.725,356 2.656,357 4.085,358 3.122,359 6.013,360 3.699,361 2.751,362 3.551,363 0.359,364 8.536,365 2.596,366 3.86,367 3.1,368 5.896,369 3.529,370 2.537,371 3.094,373 8.006,374 2.482,375 3.464,376 2.45,377 5.184,378 2.989,379 2.012,380 2.699,382 6.155,383 1.95,384 2.925,385 2.363,386 4.247,387 2.473,388 1.482,389 2.086,391 3.852,392 1.469,393 2.867,394 1.88,395 4.174,396 2.415,397 1.414,398 2.026,400 3.611,401 1.402,402 2.849,403 1.738,404 4.127,405 2.382,406 1.414,407 1.979,409 3.578,410 1.376,411 2.758,412 1.569,413 3.611,414 2.341,415 1.414,416 1.842,418 2.98,419 1.232,420 2.756,421 1.423,422 3.598,423 2.318,424 1.364,425 1.704,427 2.961,428 1.223,429 2.308,430 1.322,431 3.355,432 1.618,433 0.58,434 0.909,436 1.424,437 0.592,438 2.041,439 0.757,440 2.954,441 1.23,442 0.2,443 0.332,445 0.436,446 0.2,447 1.423,448 0.506,449 2.665,450 1.112,451 0.178,452 0.212,454 0.286,455 0.152,456 1.241,457 0.467,458 2.515,459 0.844,460 -0.1,461 -0.131,463 -0.211,464 -0.08,465 0.953,466 0.04,467 2.137,468 0.494,469 -0.381,470 -0.462,472 -0.968,473 -0.288,474 13.495,475 0.5,476 0.682,477 0.025,478 35.75,479 1.324,480 19.5,481 0.722,482 16.25,483 0.602,484 21.331,485 0.79,486 27.305,487 0.621,488 28.719,489 1.064,490 7.473,491 0.277,492 5.517,493 0.204,494 0.192,496 0.326,501 0.525,502 1.086,503 0.533,504 0.821,505 0.551,506 0.81,507 0.654,508 1.022,509 0.646,510 0.826,511 0.589,512 0.862,513 0.913,514 1.213,515 0.891,516 1.067,517 0.839,518 1.042,519 1.618,520 0.815,521 1.208,522 0.899,523 1.771,524 0.961,525 0.842,526 1.204,527 0.787,528 1.061,529 0.902,530 1.003,531 1.029,532 0.938,533 0.93,534 0.971,535 1.107,536 0.877,537 1.155,538 1.077,539 0.786,540 0.923,541 1.215,542 0.969,543 1.24,544 0.885,545 1.283,546 1.098,547 1.266,548 1.074,549 5.5,550 0.074,551 3.556,552 1.75,553 1.769,554 1.014,555 0.816,556 0.549,557 0.296,558 0.191,559 7819,560 26104,561 2.014,562 38.6,564 17,572 1.709,573 1.862,574 3.199,575 -0.806,582 68.621,583 1.56,584 3.258,585 4.033,586 4.459,587 4.55,588 4.55,589 2.654,590 4.014,591 4.727,592 3.356,593 1177.82,594 8.25,595 15080.7,597 1,600 240.215,601 1.487,602 4.672,603 0.19,604 0.005,605 0.089,606 0.041,607 0.048,608 0.025,609 0.019,610 0.014,611 0.009,612 0.008,613 0.447,614 0.67,615 1,616 0.979,617 131.982,618 -0.005,619 -0.077,620 0.01,621 -0.013,622 -0.058,623 0.006,624 0.025,625 0.033,626 0.016,627 0.021,628 0.004,629 -0.007,630 -0.041,631 -0.233,632 -0.024,633 -0.141,634 0.019,635 -0.119,636 -0.272,637 0.19,638 -0.194,639 0.084,640 -0.309,641 -0.009,642 -0.001,643 -0.226,644 0.004,645 -0.141,646 -0.009,647 -0.073,648 0.232,649 0.073,650 0.074,651 0.001,652 0.219,653 0.075,654 -0.116,655 -0.073,656 0.017,657 0.006,658 -0.063,659 -0.044,660 -0.021,661 0.056,662 -0.117,663 -0.072,664 -0.01,665 -0.076,666 1.905,667 6.027,668 0.667,669 23.621,670 1.008,671 1.103,672 4.162,673 17.325,674 0.738,675 3.401,676 3.714,677 3.97,678 4.159,679 4.419,680 4.466,681 4.554,682 4.644,683 4.727,684 4.718,685 5.859,686 0.701,687 398.3,688 3.401,689 4.934,690 5.778,691 6.642,692 7.506,693 8.377,694 9.248,695 10.123,696 10.998,697 11.876,698 2.3,705 1,715 8,720 4,722 12,740 2,741 44,743 17,744 2,745 29,747 46,748 22,749 12,750 4,751 8,752 8,756 3,757 3,758 2,772 20,773 2,777 5,778 1,782 2,784 3,786 4,793 17,794 3,796 5,797 2,802 1,808 1,809 2,829 3,841 1,844 1,848 1,849 3,850 2,859 3,865 2,868 27,876 2,881 1,892 2,893 4.5,896 2,901 14.5,902 7.986,903 6.056,904 2.488,907 3.086,908 1.435,909 0.982,910 6.072,911 10.189,912 3.714,913 4.263,914 4.808,915 5.251,916 5.773,917 5.962,918 6.284,919 6.651,920 7.003,921 7.267,922 1,923 43,924 9.987,926 4.257,927 0.026,929 7.928,931 18.635,933 15.055,936 2.428,937 65.556,940 1,941 200.109,942 153.799,943 3.124,944 78.297,945 50.29,948 153.799,949 328.696,950 3.124,952 23.103,953 104.239,954 60.128,955 19.744,957 200.109,958 78.297,959 200.109,960 156.923,961 50.29,962 78.297,964 200.109,965 50.29,968 7.336,969 121.159,970 106.726,972 200.109,973 53.414,974 232.096,977 200.109,978 33.793,979 107.363,981 144.354,982 200.109,983 53.414,984 232.096,986 0.58,987 0.346,988 0.171,989 0.097,990 18,991 9,992 0.065,993 3,995 1,996 3.74,997 228.986,999 18,1000 108.382,1005 19.311,1006 8.49,1007 4.453,1009 53.414,1010 14.509,1015 2.545,1018 485.619,1019 40,1020 3.544,1024 25.22,1026 4.706,1028 0.617,1031 44.356,1032 48.542,1034 0.286,1035 0.597,1036 0.739,1037 0.817,1038 0.833,1039 0.833,1040 4.942,1041 1.414,1042 5.765,1043 3.611,1044 4.394,1045 4.949,1046 1.603,1047 6.564,1048 4.328,1049 6.15,1050 1.414,1051 7.327,1052 3.578,1053 4.007,1054 4.691,1055 0.325,1056 7.441,1057 3.868,1058 7.451,1059 1.364,1060 8.989,1061 2.98,1062 5.984,1063 7.081,1064 1.709,1065 10.521,1066 5.871,1067 8.786,1068 0.58,1069 10.706,1070 2.961,1071 6.399,1072 7.613,1073 0.82,1074 12.174,1075 6.227,1076 10.152,1077 0.2,1078 12.457,1079 1.424,1080 7.852,1081 9.473,1082 1.965,1083 14.766,1084 7.695,1085 11.538,1086 0.178,1087 14.231,1088 0.436,1089 8.628,1090 10.378,1091 1.329,1092 16.742,1093 8.432,1094 12.939,1095 -0.1,1096 16.02,1097 0.286,1098 9.871,1099 12.003,1100 2.285,1101 19.15,1102 9.68,1103 3.11,1104 -0.381,1105 17.819,1106 -0.211,1107 10.815,1108 13.102,1109 1.834,1110 21.28,1111 10.602,1112 2.813,1113 10.156,1114 19.627,1115 -0.968,1116 11.97,1117 14.607,1118 2.643,1119 23.614,1120 11.758,1121 2.751,1122 8.725,1123 21.44,1124 3.956,1125 12.994,1126 15.813,1127 2.335,1128 25.822,1129 12.773,1130 2.537,1131 8.536,1132 23.259,1133 3.837,1134 14.114,1135 17.253,1136 3.026,1137 28.129,1138 13.894,1139 2.012,1140 8.006,1141 25.081,1142 3.551,1143 15.179,1144 18.521,1145 2.832,1146 30.379,1147 14.957,1148 1.482,1149 6.155,1150 26.907,1151 3.094,1152 16.288,1153 19.925,1154 3.428,1155 32.678,1156 16.068,1157 1.414,1158 3.852,1159 28.736,1160 2.699,1161 17.374,1162 21.229,1163 3.324,1164 34.953,1165 17.156,1166 7734,1167 14228,1168 18.898,1169 32.483,1170 44.086,1171 45.814,1172 45.23,1173 42.936,1174 42.544,1175 56.456,1176 4.39,1177 121.41,1178 40.859,1179 5.43,1180 5.742,1181 6.189,1182 5.143,1183 5.11,1184 6.956,1185 2.373,1186 17.193,1187 5.101,1188 14.653,1189 1.52,1190 1.58,1191 1.56,1192 1.481,1193 1.467,1194 1.947,1195 0.151,1196 4.187,1197 1.409,1198 4.016,1199 4.038,1200 4.058,1201 3.952,1202 7.431,1203 3.949,1204 3.898,1205 3.919,1206 3.996,1207 3.859,1208 7.425,1209 3.849,1210 3.781,1211 3.814,1212 3.789,1213 3.667,1214 4.955,1215 3.673,1216 3.545,1217 3.571,1218 3.486,1219 3.41,1220 4.93,1221 3.418,1222 3.279,1223 3.325,1224 3.308,1225 3.204,1226 4.654,1227 3.191,1228 3.083,1229 3.15,1230 3.29,1231 2.885,1232 4.386,1233 2.885,1234 2.882,1235 2.922,1236 3.172,1237 2.8,1238 4.348,1239 2.772,1240 2.879,1241 2.922,1242 2.94,1243 2.797,1244 4.284,1245 2.771,1246 0.153,1247 0.129,1248 0.224,1249 0.142,1250 0.107,1251 4.43,1252 0.136,1253 3.742,1254 0.043,1255 6.501,1256 0.35,1257 4.105,1258 0.107,1259 3.11,1260 3.956,1261 1.259,1262 10.156,1263 3.101,1264 1.966,1265 1.947,1266 2.05,1267 2.056,1268 1.237,1269 2.057,1270 1.899,1271 1.879,1272 1.989,1273 1.96,1274 1.1,1275 1.978,1276 1.745,1277 1.714,1278 1.873,1279 1.883,1280 1.013,1281 1.886,1282 1.509,1283 1.477,1284 1.701,1285 1.667,1286 0.705,1287 1.674,1288 1.3,1289 1.258,1290 1.503,1291 1.418,1292 0.536,1293 1.449,1294 1.043,1295 0.974,1296 1.287,1297 1.284,1298 0.375,1299 1.285,1300 0.869,1301 0.824,1302 1.141,1303 1.029,1304 0.267,1305 1.071,1306 0.869,1307 0.824,1308 1.108,1309 1.026,1310 0.17,1311 1.066,1312 4.078,1314 5.389,1316 6.903,1318 8.505,1320 10.15,1323 12.439,1328 0.406,1333 1.569,1340 30.847,1341 68.621,1342 143.354,1343 177.46,1344 196.215,1345 200.215,1346 200.215,1347 62.036,1348 7.102,1349 37.38,1350 37.38,1351 18,1352 12.414,1353 4.17,1354 3.585,1355 46.526,1356 95,1357 85,1358 0.242,1359 198.873,1360 360.24,1361 477.01,1362 10491,1363 4.5,1364 19.389,1365 0.718,1366 0.593,1367 20.389,1368 16.004,1369 12.99,1370 0.448,1371 0.314,1372 8.359,1373 12.18,1374 8.073,1375 6.688,1376 13.568,1377 9.112,1378 11.511,1379 0.288,1380 0.173,1381 12.253,1382 6.924,1383 9.936,1384 0.191,1385 0.095,1386 10.696,1387 4.95,1388 7.372,1389 0.117,1390 0.052,1391 7.879,1392 3.265,1393 6.176,1394 0.075,1395 0.028,1396 6.613,1397 2.276,1398 0.37,1399 86.023,1400 0.23,1401 25.523,1402 0.699,1403 138,1404 417.523,1405 175.771,1406 469.985,1407 610.29,1408 434,1409 161,1410 387.815,1411 191.737,1412 418.004,1413 608.46,1414 392,1415 4.787}
{0 CHEMBL2332536,1 1.56,2 9.259,3 4.136,4 17.106,5 102.183,6 8.305,7 0.414,8 3.872,9 3.969,10 3.519,11 3.493,12 5.138,13 3.48,14 4.36,15 4.496,16 3.874,17 3.847,18 5.638,19 3.827,20 4.637,21 4.8,22 4.002,23 3.973,24 5.99,25 3.947,26 4.736,27 4.932,28 3.872,29 3.919,30 6.059,31 3.882,32 4.568,33 4.733,34 3.939,35 3.919,36 5.867,37 3.89,38 4.748,39 4.937,40 4.062,41 3.95,42 6.337,43 3.934,44 4.63,45 4.802,46 3.923,47 3.909,48 6.001,49 3.879,50 4.645,51 4.845,52 3.78,53 3.809,54 6.195,55 3.759,56 0.06,57 0.688,58 6.664,59 4.099,60 14.711,61 4.623,62 0.199,63 1.115,64 12.704,65 6.508,66 22.53,67 7.488,68 0.296,69 1.465,70 19.049,71 9.038,72 60.11,73 10.219,74 0.746,75 1.519,76 25.567,77 9.587,78 140.127,79 10.141,80 0.259,81 1.309,82 17.913,83 8.507,84 60.757,85 9.875,86 0.958,87 1.585,88 25.257,89 9.599,90 173.19,91 11.005,92 0.357,93 1.369,94 19.895,95 8.761,96 72.634,97 9.906,98 0.812,99 1.446,100 23.568,101 9.221,102 159.946,103 10.067,104 28,105 40,106 0.267,107 0.559,108 0.691,109 0.765,110 0.78,111 0.78,112 3.341,113 0.864,114 -5.18,115 -5.07,116 -4.75,121 50,127 2,136 1,137 3,138 2,144 8,145 2,146 2,158 1,160 1,176 13,179 1,180 6,187 13,192 6,200 12,205 1,206 6,214 11,219 6,227 10,231 1,232 11,239 11,244 7,251 12,256 4,264 13,269 2,277 12,281 1091,282 18.077,283 18.077,284 18.077,285 18.077,286 18.077,287 15.842,288 14.364,289 10.617,290 18.224,291 14.206,292 14.206,293 14.206,294 14.206,295 14.206,296 10.748,297 15.025,298 4.952,299 14.466,300 3.9,301 2.201,302 1.426,303 1,304 0.909,305 0.909,306 4.019,311 1,312 1,313 525,314 3.162,318 273.526,325 1.454,326 46.758,328 1,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 59.5,338 250,339 4.43,340 3.742,341 6.501,342 4.107,343 3.11,344 3.956,345 1.259,346 10.156,347 3.106,348 4.209,349 3.526,350 6.059,351 3.786,352 2.813,353 3.837,354 0.577,355 8.725,356 2.731,357 4.085,358 3.106,359 6.013,360 3.718,361 2.751,362 3.551,363 0.359,364 8.536,365 2.651,366 3.86,367 3.084,368 5.896,369 3.535,370 2.537,371 3.094,373 8.006,374 2.514,375 3.464,376 2.449,377 5.184,378 2.998,379 2.012,380 2.699,382 6.155,383 1.979,384 2.925,385 2.359,386 4.247,387 2.478,388 1.482,389 2.086,391 3.852,392 1.475,393 2.867,394 1.87,395 4.174,396 2.415,397 1.414,398 2.026,400 3.611,401 1.402,402 2.849,403 1.727,404 4.127,405 2.39,406 1.414,407 1.979,409 3.578,410 1.382,411 2.758,412 1.567,413 3.611,414 2.377,415 1.414,416 1.842,418 2.98,419 1.344,420 2.756,421 1.423,422 3.598,423 2.346,424 1.364,425 1.704,427 2.961,428 1.321,429 2.308,430 1.322,431 3.355,432 1.621,433 0.58,434 0.909,436 1.424,437 0.598,438 2.041,439 0.757,440 2.954,441 1.232,442 0.2,443 0.332,445 0.436,446 0.203,447 1.423,448 0.498,449 2.665,450 1.137,451 0.178,452 0.212,454 0.286,455 0.168,456 1.241,457 0.456,458 2.515,459 0.883,460 -0.1,461 -0.131,463 -0.211,464 -0.095,465 0.953,466 0.035,467 2.137,468 0.541,469 -0.381,470 -0.462,472 -0.968,473 -0.343,474 12.638,475 0.468,476 0.682,477 0.025,478 35.75,479 1.324,480 19.5,481 0.722,482 16.25,483 0.602,484 19.545,485 0.724,486 28.162,487 0.64,488 30.506,489 1.13,490 7.735,491 0.286,492 5.255,493 0.195,494 0.138,496 0.348,499 2,501 0.51,502 0.912,503 0.648,504 0.958,505 0.529,506 0.88,507 0.631,508 0.944,509 0.781,510 0.984,511 0.59,512 0.94,513 0.921,514 1.159,515 0.929,516 1.177,517 0.873,518 1.09,519 1.439,520 0.875,521 1.228,522 0.814,523 1.496,524 0.913,525 0.81,526 1.036,527 0.849,528 1.128,529 0.852,530 1.037,531 0.95,532 0.833,533 0.886,534 0.838,535 0.995,536 0.839,537 0.977,538 1.03,539 0.975,540 1.103,541 0.982,542 1.058,543 1.25,544 1.01,545 1.176,546 0.947,547 1.243,548 1.012,549 5.5,550 0.074,551 3.556,552 1.75,553 1.769,554 1.014,555 0.816,556 0.549,557 0.296,558 0.191,559 7819,560 26104,561 2.014,562 38.6,564 17,572 1.709,573 1.862,574 3.199,575 -0.806,577 1,582 68.621,583 1.56,584 3.258,585 4.033,586 4.459,587 4.55,588 4.55,589 2.654,590 4.014,591 4.727,592 3.356,593 1177.82,594 8.25,595 15080.7,597 1,599 1,600 240.215,601 1.487,602 4.672,603 0.19,604 0.005,605 0.089,606 0.041,607 0.048,608 0.025,609 0.019,610 0.014,611 0.009,612 0.008,613 0.447,614 0.67,615 1,616 0.979,617 131.982,618 -0.007,619 -0.046,620 0.025,621 -0.01,622 -0.042,623 0.009,624 0.008,625 -0.049,626 -0.005,627 -0.05,628 0.003,629 -0.036,630 -0.052,631 -0.202,632 -0.039,633 -0.213,634 -0.007,635 -0.147,636 -0.236,637 0.108,638 -0.199,639 0.147,640 -0.257,641 0.031,642 -0.022,643 -0.153,644 0.033,645 -0.164,646 -0.045,647 -0.079,648 0.201,649 0.157,650 0.131,651 0.121,652 0.172,653 0.108,654 -0.084,655 -0.168,656 -0.053,657 -0.152,658 -0.058,659 -0.11,660 -0.002,661 0.079,662 -0.122,663 0.047,664 0.026,665 -0.039,666 2.135,667 5.974,668 0.667,669 23.621,670 1.017,671 1.121,672 3.951,673 15.612,674 0.696,675 3.401,676 3.714,677 3.97,678 4.159,679 4.419,680 4.466,681 4.554,682 4.644,683 4.727,684 4.718,685 5.859,686 0.681,687 365.4,688 3.401,689 4.934,690 5.778,691 6.642,692 7.506,693 8.377,694 9.248,695 10.123,696 10.998,697 11.876,698 2.3,705 1,715 8,720 4,722 12,740 2,741 44,743 17,744 2,745 29,747 46,748 22,749 12,750 4,751 8,752 8,756 3,757 3,772 20,773 2,777 5,778 1,782 2,784 3,786 4,790 1,791 2,793 17,794 5,796 5,802 1,808 1,809 2,829 3,841 1,844 1,848 1,849 3,850 2,859 3,866 2,868 27,876 2,881 1,892 2,893 4.5,896 2,901 14.5,902 7.986,903 6.056,904 2.488,907 3.086,908 1.435,909 0.986,910 5.541,911 10.189,912 3.714,913 4.263,914 4.808,915 5.251,916 5.773,917 5.962,918 6.284,919 6.651,920 7.003,921 7.267,922 1,923 43,924 10.099,926 4.437,927 0.026,929 8.216,931 18.355,933 14.838,936 2.716,937 73.333,940 1,941 200.109,942 165.04,943 3.124,945 50.29,946 29.92,948 165.04,949 250.399,950 33.045,952 23.103,953 104.239,954 60.128,955 30.984,956 29.92,957 200.109,959 200.109,960 168.164,961 80.21,964 230.029,965 50.29,968 7.336,969 132.399,970 28.429,972 230.029,973 53.414,974 165.04,977 200.109,978 45.034,979 107.363,981 95.977,982 200.109,983 83.334,984 165.04,986 0.58,987 0.346,988 0.171,989 0.097,990 18,991 9,992 0.065,993 3,995 1,996 3.74,997 228.986,999 18,1000 108.382,1005 18.63,1006 8.03,1007 4.16,1009 83.334,1010 12.102,1015 -0.438,1018 448.483,1019 40,1020 3.466,1024 24.965,1026 4.002,1028 -0.19,1031 44.734,1032 49.333,1034 0.286,1035 0.597,1036 0.739,1037 0.817,1038 0.833,1039 0.833,1040 4.942,1041 1.414,1042 5.765,1043 3.611,1044 4.394,1045 4.949,1046 1.603,1047 6.564,1048 4.36,1049 6.15,1050 1.414,1051 7.327,1052 3.578,1053 4.007,1054 4.691,1055 0.325,1056 7.441,1057 3.941,1058 7.451,1059 1.364,1060 8.989,1061 2.98,1062 5.984,1063 7.081,1064 1.709,1065 10.521,1066 5.918,1067 8.786,1068 0.58,1069 10.706,1070 2.961,1071 6.399,1072 7.613,1073 0.82,1074 12.174,1075 6.309,1076 10.152,1077 0.2,1078 12.457,1079 1.424,1080 7.852,1081 9.473,1082 1.965,1083 14.766,1084 7.76,1085 11.538,1086 0.178,1087 14.231,1088 0.436,1089 8.628,1090 10.378,1091 1.329,1092 16.742,1093 8.52,1094 12.939,1095 -0.1,1096 16.02,1097 0.286,1098 9.871,1099 12.003,1100 2.285,1101 19.15,1102 9.758,1103 3.11,1104 -0.381,1105 17.819,1106 -0.211,1107 10.815,1108 13.102,1109 1.834,1110 21.28,1111 10.693,1112 2.813,1113 10.156,1114 19.627,1115 -0.968,1116 11.97,1117 14.607,1118 2.643,1119 23.614,1120 11.844,1121 2.751,1122 8.725,1123 21.44,1124 3.956,1125 12.994,1126 15.813,1127 2.335,1128 25.822,1129 12.865,1130 2.537,1131 8.536,1132 23.259,1133 3.837,1134 14.114,1135 17.253,1136 3.026,1137 28.129,1138 13.983,1139 2.012,1140 8.006,1141 25.081,1142 3.551,1143 15.179,1144 18.521,1145 2.832,1146 30.379,1147 15.046,1148 1.482,1149 6.155,1150 26.907,1151 3.094,1152 16.288,1153 19.925,1154 3.428,1155 32.678,1156 16.155,1157 1.414,1158 3.852,1159 28.736,1160 2.699,1161 17.374,1162 21.229,1163 3.324,1164 34.953,1165 17.242,1166 7734,1167 14228,1168 18.898,1169 30.642,1170 44.086,1171 45.751,1172 45.23,1173 42.728,1174 42.544,1175 56.456,1176 4.39,1177 121.41,1178 41.744,1179 5.43,1180 5.742,1181 6.189,1182 5.144,1183 5.11,1184 6.956,1185 2.373,1186 17.193,1187 5.106,1188 14.653,1189 1.52,1190 1.578,1191 1.56,1192 1.473,1193 1.467,1194 1.947,1195 0.151,1196 4.187,1197 1.439,1198 4.018,1199 4.043,1200 3.973,1201 3.94,1202 8.203,1203 3.943,1204 3.903,1205 3.929,1206 3.855,1207 3.841,1208 8.199,1209 3.84,1210 3.784,1211 3.819,1212 3.725,1213 3.66,1214 7.431,1215 3.669,1216 3.545,1217 3.571,1218 3.477,1219 3.41,1220 7.425,1221 3.418,1222 3.279,1223 3.325,1224 3.174,1225 3.204,1226 4.703,1227 3.191,1228 3.083,1229 3.15,1230 2.942,1231 2.88,1232 4.655,1233 2.883,1234 2.904,1235 2.959,1236 2.839,1237 2.733,1238 4.646,1239 2.735,1240 2.9,1241 2.958,1242 2.824,1243 2.733,1244 4.304,1245 2.735,1246 0.153,1247 0.129,1248 0.224,1249 0.142,1250 0.107,1251 4.43,1252 0.136,1253 3.742,1254 0.043,1255 6.501,1256 0.35,1257 4.107,1258 0.107,1259 3.11,1260 3.956,1261 1.259,1262 10.156,1263 3.106,1264 1.964,1265 1.943,1266 2.056,1267 2.064,1268 1.234,1269 2.061,1270 1.896,1271 1.873,1272 1.999,1273 1.979,1274 1.088,1275 1.986,1276 1.744,1277 1.711,1278 1.876,1279 1.894,1280 1.003,1281 1.89,1282 1.509,1283 1.476,1284 1.701,1285 1.668,1286 0.705,1287 1.675,1288 1.3,1289 1.258,1290 1.503,1291 1.418,1292 0.536,1293 1.449,1294 1.043,1295 0.974,1296 1.287,1297 1.284,1298 0.374,1299 1.285,1300 0.862,1301 0.805,1302 1.143,1303 1.068,1304 0.267,1305 1.082,1306 0.861,1307 0.805,1308 1.119,1309 1.068,1310 0.159,1311 1.08,1312 4.078,1314 5.389,1316 6.903,1318 8.505,1320 10.15,1324 27.947,1328 0.069,1333 1.41,1340 29.959,1341 68.621,1342 143.354,1343 177.46,1344 196.215,1345 200.215,1346 200.215,1347 79.696,1348 7.102,1349 37.38,1350 37.38,1351 18,1352 12.414,1353 4.17,1354 3.585,1355 46.526,1356 95,1357 85,1358 0.242,1359 184.604,1360 341.96,1361 442.193,1362 10491,1363 4.5,1364 19.389,1365 0.718,1366 0.537,1367 17.648,1368 14.492,1369 12.99,1370 0.448,1371 0.288,1372 8.249,1373 12.541,1374 8.073,1375 6.688,1376 12.169,1377 8.356,1378 11.511,1379 0.288,1380 0.153,1381 10.476,1382 6.11,1383 9.936,1384 0.191,1385 0.082,1386 8.868,1387 4.262,1388 7.372,1389 0.117,1390 0.046,1391 6.81,1392 2.884,1393 6.176,1394 0.075,1395 0.024,1396 5.731,1397 1.988,1398 0.37,1399 81.404,1400 0.23,1401 25.523,1402 0.699,1403 138,1404 537.338,1405 152.394,1406 469.985,1407 610.29,1408 434,1409 161,1410 420.756,1411 175.301,1412 418.004,1413 608.46,1414 392,1415 4.928}
{0 CHEMBL2332537,1 1.671,2 10.806,3 3.514,4 12.346,5 116.4,6 8.738,7 0.364,8 3.982,9 4.072,10 3.667,11 3.545,12 5.329,13 3.551,14 4.453,15 4.569,16 4.014,17 3.918,18 5.948,19 3.917,20 4.714,21 4.86,22 4.108,23 4.07,24 6.054,25 4.052,26 4.875,27 5.054,28 4.049,29 4.042,30 6.222,31 4.022,32 4.702,33 4.849,34 4.073,35 4.022,36 6.106,37 4.01,38 4.836,39 5.025,40 4.055,41 4.034,42 6.198,43 4.01,44 4.722,45 4.87,46 4.097,47 4.012,48 6.112,49 4.003,50 4.849,51 5.021,52 4.08,53 3.955,54 6.493,55 3.947,56 0.258,57 0.672,58 6.602,59 4.063,60 21.571,61 4.521,62 0.477,63 1.036,64 12.42,65 6.628,66 89.941,67 7.398,68 0.444,69 1.307,70 17.707,71 8.919,72 71.284,73 10.157,74 1.021,75 1.391,76 27.779,77 10.06,78 194.103,79 10.912,80 0.517,81 1.246,82 18.57,83 8.86,84 85.431,85 9.861,86 0.925,87 1.362,88 26.949,89 9.973,90 187.405,91 11.59,92 0.596,93 1.299,94 18.707,95 8.657,96 89.898,97 9.677,98 1.319,99 1.315,100 27.574,101 9.66,102 257.828,103 10.962,104 60,105 46,106 0.278,107 0.565,108 0.696,109 0.761,110 0.761,111 0.761,112 3.472,113 0.831,114 -4.55,115 -4.47,116 -4.21,121 45.8,127 2,136 1,137 3,138 2,144 8,145 2,146 2,158 1,160 1,168 4,176 13,179 3,180 10,187 15,192 18,200 12,205 1,206 18,214 9,219 20,227 12,231 1,232 11,239 11,243 4,244 11,251 14,255 8,256 8,264 14,268 2,269 10,277 10,281 1669,282 20.386,283 20.386,284 20.386,285 20.386,286 20.386,287 17.704,288 21.016,289 11.857,290 20.544,291 16.186,292 16.186,293 16.186,294 16.186,295 16.186,296 11.935,297 23.987,298 5.533,299 16.385,300 3.914,301 2.185,302 1.391,303 1,304 1,305 1,306 4.149,311 1,312 1,313 695,314 4,318 324.987,325 1.761,326 55.64,329 1,330 0.83,331 1,332 0.4,334 1,335 1,336 0.75,337 69.5,338 335,339 4.419,340 3.78,341 6.488,342 4.098,343 3.1,344 4.02,345 2.612,346 10.112,347 3.1,348 4.288,349 3.78,350 5.982,351 3.804,352 2.825,353 3.991,354 2.612,355 8.514,356 2.768,357 4.241,358 3.74,359 5.977,360 3.773,361 2.797,362 3.753,363 1.259,364 8.468,365 2.728,366 3.886,367 3.525,368 5.921,369 3.571,370 2.58,371 3.314,372 0.577,373 8.126,374 2.542,375 3.852,376 2.645,377 5.472,378 3.362,379 2.376,380 3.151,381 0.359,382 7.155,383 2.34,384 3.655,385 2.573,386 5.209,387 3.185,388 2.19,389 3.043,391 6.39,392 2.174,393 3.327,394 2.405,395 4.917,396 2.821,397 1.827,398 2.559,400 5.445,401 1.815,402 2.941,403 2.219,404 4.202,405 2.417,406 1.414,407 2.067,409 3.581,410 1.405,411 2.833,412 1.83,413 3.798,414 2.355,415 1.355,416 1.91,418 3.061,419 1.354,420 2.762,421 1.706,422 3.762,423 2.302,424 1.303,425 1.705,427 2.992,428 1.301,429 2.59,430 1.452,431 3.44,432 2,433 1,434 1.586,436 2.324,437 1,438 2.584,439 1.169,440 3.436,441 2,442 1,443 1.584,445 2.323,446 1,447 2.299,448 1.159,449 3.36,450 1.594,451 0.545,452 0.868,454 1.366,455 0.567,456 2.035,457 1,458 2.947,459 1.217,460 0.173,461 0.301,463 0.241,464 0.179,465 1.289,466 1,467 2.658,468 0.983,474 14.2,475 0.458,476 0.894,477 0.029,478 44.75,479 1.444,480 25.5,481 0.823,482 19.25,483 0.621,484 21.036,485 0.679,486 32.6,487 0.679,488 40.186,489 1.296,490 9.35,491 0.302,492 5.428,493 0.175,494 0.176,496 0.366,501 0.328,502 1.024,503 0.605,504 0.913,505 0.507,506 0.871,507 0.492,508 1.066,509 0.74,510 0.999,511 0.433,512 0.952,513 0.705,514 1.264,515 0.919,516 1.265,517 0.609,518 1.18,519 1.261,520 0.835,521 1.139,522 0.839,523 1.266,524 0.926,525 0.853,526 1.171,527 0.94,528 1.204,529 0.805,530 1.124,531 1.006,532 0.877,533 0.952,534 0.833,535 0.98,536 0.866,537 0.8,538 1.122,539 0.977,540 1.212,541 0.808,542 1.163,543 1.01,544 0.838,545 1.02,546 0.846,547 1.107,548 0.926,549 7.5,550 0.223,551 3.556,552 2.25,553 1.929,554 1.264,555 0.853,556 0.601,557 0.428,558 0.394,559 11543,560 45064,561 1.975,562 35.4,564 17,572 1.743,573 1.806,574 3.435,575 -0.703,577 1,582 80.219,583 1.671,584 3.4,585 4.194,586 4.585,587 4.585,588 4.585,589 2.915,590 3.922,591 4.924,592 3.611,593 1678.99,594 8.639,595 23946.3,597 1,599 1,600 268.078,601 1.541,602 4.858,603 0.227,604 0.008,605 0.077,606 0.046,607 0.043,608 0.027,609 0.019,610 0.013,611 0.01,612 0.011,613 0.48,614 0.17,615 1,616 1.13,617 160.13,618 0.239,619 0.108,620 0.054,621 0.073,622 -0.008,623 0.003,624 0.165,625 0.008,626 0.018,627 -0.006,628 0.183,629 -0.029,630 -0.034,631 -0.243,632 -0.079,633 -0.264,634 0.03,635 -0.201,636 -0.23,637 0.113,638 -0.106,639 0.148,640 -0.217,641 0.082,642 -0.075,643 -0.182,644 -0.061,645 -0.198,646 -0.027,647 -0.139,648 -0.089,649 0.069,650 0.078,651 0.169,652 -0.06,653 0.176,655 -0.092,656 -0.097,657 -0.236,658 -0.042,659 -0.208,660 0.134,661 0.095,662 0.049,663 0.134,664 0.065,665 0.074,666 2.536,667 6.06,668 0.581,669 31.446,670 1.03,671 1.118,672 3.318,673 11.012,674 0.689,675 3.526,676 3.85,677 4.078,678 4.277,679 4.533,680 4.595,681 4.727,682 4.787,683 4.905,684 4.99,685 6.772,686 0.688,687 419.42,688 3.526,689 5.069,690 5.905,691 6.774,692 7.632,693 8.504,694 9.37,695 10.244,696 11.114,697 11.99,698 6.3,705 1,709 2,715 8,720 4,722 12,735 2,741 48,743 21,744 2,745 33,747 50,748 22,749 12,750 4,751 8,752 8,756 3,757 3,772 20,773 2,777 9,778 1,779 2,782 6,784 3,786 4,790 1,793 17,794 7,796 9,802 3,808 1,809 6,829 3,841 1,844 1,848 1,849 3,850 2,859 3,868 31,876 2,881 1,893 12.5,896 2,899 4,901 17.167,902 8.767,903 6.889,904 2.636,907 3.534,908 1.475,909 0.953,910 6.537,911 10.973,912 3.892,913 4.466,914 4.966,915 5.417,916 5.968,917 6.233,918 6.661,919 6.92,920 7.278,921 7.601,922 1,923 49,924 11.496,926 5.03,927 0.026,929 8.382,931 20.574,933 16.446,936 2.882,937 89.333,940 1,941 200.109,942 152.311,943 14.464,945 151.784,948 152.311,949 351.892,950 14.464,951 11.34,952 23.103,953 104.239,954 60.128,955 18.256,957 200.109,958 101.494,959 200.109,960 166.775,961 151.784,964 200.109,965 50.29,966 101.494,968 7.336,969 119.671,970 39.769,972 200.109,973 166.248,974 152.311,977 200.109,978 32.305,979 118.703,981 167.551,982 200.109,983 166.248,984 152.311,986 0.585,987 0.339,988 0.166,989 0.095,990 20,991 11,992 0.1,993 5,995 1,996 4.037,997 274.343,999 18,1000 125.58,1005 21.817,1006 9.288,1007 5.187,1009 154.908,1010 11.584,1015 0.647,1018 518.668,1019 48,1020 3.47,1021 -1.072,1024 69.35,1026 4.129,1028 -0.203,1031 49.454,1032 53.658,1034 0.299,1035 0.609,1036 0.751,1037 0.821,1038 0.821,1039 0.821,1040 5.124,1041 1.414,1042 5.905,1043 5.445,1044 4.533,1045 5.153,1046 3.309,1047 6.701,1048 4.511,1049 6.35,1050 1.355,1051 7.467,1052 3.581,1053 4.205,1054 5.056,1055 3.025,1056 7.567,1057 4.169,1058 7.666,1059 1.303,1060 9.123,1061 3.061,1062 6.125,1063 7.329,1064 4.875,1065 10.618,1066 6.075,1067 9.012,1068 1,1069 10.831,1070 2.992,1071 6.553,1072 7.989,1073 5.201,1074 12.234,1075 6.494,1076 10.385,1077 1,1078 12.57,1079 2.324,1080 7.979,1081 9.761,1082 6.648,1083 14.807,1084 7.907,1085 11.776,1086 0.545,1087 14.33,1088 2.323,1089 8.746,1090 10.762,1091 7.25,1092 16.753,1093 8.669,1094 13.181,1095 0.173,1096 16.104,1097 1.366,1098 9.973,1099 12.329,1100 8.489,1101 19.145,1102 9.886,1103 3.1,1105 17.888,1106 0.241,1107 10.905,1108 13.499,1109 9.242,1110 21.256,1111 10.814,1112 2.825,1113 10.112,1114 19.681,1116 12.048,1117 14.972,1118 10.363,1119 23.578,1120 11.951,1121 2.797,1122 8.514,1123 21.481,1124 4.02,1125 13.061,1126 16.233,1127 11.202,1128 25.774,1129 12.963,1130 2.58,1131 8.468,1132 23.287,1133 3.991,1134 14.171,1135 17.659,1136 12.256,1137 28.071,1138 14.07,1139 2.376,1140 8.126,1141 25.097,1142 3.753,1143 15.226,1144 18.969,1145 13.145,1146 30.314,1147 15.125,1148 2.19,1149 7.155,1150 26.912,1151 3.314,1152 16.326,1153 20.372,1154 14.161,1155 32.606,1156 16.225,1157 1.827,1158 6.39,1159 28.73,1160 3.151,1161 17.403,1162 21.711,1163 15.079,1164 34.874,1165 17.304,1166 11516,1167 22898,1168 21.096,1169 33.074,1170 50.699,1171 53.808,1172 51.762,1173 49.085,1174 48.968,1175 67.703,1176 14.84,1177 140.192,1178 48.544,1179 5.419,1180 5.78,1181 6.036,1182 5.135,1183 5.1,1184 7.02,1185 4.612,1186 17.128,1187 5.1,1188 19.617,1189 1.536,1190 1.631,1191 1.569,1192 1.487,1193 1.484,1194 2.052,1195 0.45,1196 4.248,1197 1.471,1198 4.054,1199 4.078,1200 4.012,1201 3.956,1202 7.818,1203 3.962,1204 3.975,1205 4,1206 3.939,1207 3.867,1208 7.812,1209 3.872,1210 3.844,1211 3.875,1212 3.802,1213 3.679,1214 7.431,1215 3.697,1216 3.576,1217 3.601,1218 3.521,1219 3.415,1220 7.425,1221 3.426,1222 3.527,1223 3.549,1224 3.498,1225 3.247,1226 6.999,1227 3.275,1228 3.436,1229 3.462,1230 3.385,1231 3.037,1232 6.999,1233 3.127,1234 3.223,1235 3.269,1236 3.117,1237 2.979,1238 4.746,1239 3.04,1240 3.075,1241 3.139,1242 2.937,1243 2.859,1244 4.702,1245 2.867,1246 0.134,1247 0.115,1248 0.197,1249 0.124,1250 0.094,1251 4.419,1252 0.122,1253 3.78,1254 0.079,1255 6.488,1256 0.306,1257 4.098,1258 0.094,1259 3.1,1260 4.02,1261 2.612,1262 10.112,1263 3.1,1264 1.981,1265 1.96,1266 2.072,1267 2.11,1268 1.241,1269 2.089,1270 1.929,1271 1.905,1272 2.023,1273 2.081,1274 1.118,1275 2.046,1276 1.766,1277 1.734,1278 1.886,1279 1.968,1280 1.031,1281 1.932,1282 1.514,1283 1.482,1284 1.702,1285 1.71,1286 0.709,1287 1.689,1288 1.348,1289 1.315,1290 1.509,1291 1.685,1292 0.536,1293 1.594,1294 1.192,1295 1.16,1296 1.312,1297 1.598,1298 0.376,1299 1.529,1300 1.134,1301 1.095,1302 1.27,1303 1.379,1304 0.271,1305 1.395,1306 1.024,1307 0.958,1308 1.251,1309 1.275,1310 0.213,1311 1.271,1312 4.205,1314 5.525,1316 7.034,1318 8.627,1320 10.264,1328 0.025,1333 1.404,1340 33.041,1341 80.219,1342 163.218,1343 201.323,1344 220.078,1345 220.078,1346 220.078,1347 100.405,1348 7.439,1349 129.02,1350 129.02,1351 18,1352 12.53,1353 4.459,1354 4,1355 57.817,1356 125,1357 116,1358 0.225,1359 205.926,1360 381.7,1361 494.219,1362 16379,1364 22.543,1365 0.727,1366 0.525,1367 22.543,1368 16.263,1369 14.778,1370 0.448,1371 0.277,1372 8.999,1373 14.055,1374 8.823,1375 7.327,1376 14.778,1377 9.143,1378 13.541,1379 0.294,1380 0.147,1381 13.541,1382 6.771,1383 10.951,1384 0.189,1385 0.08,1386 10.951,1387 4.636,1388 8.268,1389 0.116,1390 0.045,1391 8.268,1392 3.183,1393 6.969,1394 0.076,1395 0.024,1396 6.969,1397 2.168,1398 0.349,1399 94.196,1400 0.218,1401 28.864,1402 0.632,1403 158,1404 611.349,1405 177.086,1406 582.482,1407 751.57,1408 530,1409 183,1410 534.819,1411 201.954,1412 531.516,1413 759.82,1414 494,1415 5.011}
{0 CHEMBL2332538,1 1.322,2 9.259,3 4.697,4 22.065,5 111.833,6 7.15,7 0.414,8 3.966,9 4.079,10 3.499,11 3.598,12 5.09,13 3.549,14 4.47,15 4.639,16 3.837,17 3.965,18 5.533,19 3.899,20 4.709,21 4.878,22 3.954,23 4.132,24 5.821,25 4.048,26 4.882,27 5.093,28 3.85,29 4.133,30 5.966,31 4.019,32 4.795,33 5.016,34 3.913,35 4.107,36 5.838,37 4.006,38 4.845,39 5.05,40 4.005,41 4.115,42 6.082,43 4.04,44 4.868,45 5.083,46 3.89,47 4.101,48 6.035,49 4.012,50 4.749,51 4.952,52 3.718,53 4.041,54 5.879,55 3.914,56 0.027,57 0.617,58 9.979,59 4.777,60 7.388,61 6.312,62 0.147,63 1.03,64 17.968,65 7.718,66 13.999,67 10.452,68 0.107,69 1.268,70 23.012,71 10.138,72 30.204,73 13.461,74 0.379,75 1.465,76 29.904,77 11.647,78 66.557,79 15.231,80 0.129,81 1.364,82 26.549,83 11.304,84 30.826,85 15.407,86 0.323,87 1.426,88 28.375,89 11.122,90 73.942,91 14.74,92 0.363,93 1.467,94 29.793,95 10.928,96 74.057,97 14.195,98 0.2,99 1.273,100 25.377,101 10.71,102 49.292,103 14.11,104 28,105 40,106 0.221,107 0.536,108 0.682,109 0.745,110 0.758,111 0.758,112 3.341,113 0.929,114 -4.86,115 -4.77,116 -4.47,121 48,122 2,127 2,136 1,137 3,138 2,144 8,145 4,158 1,160 1,176 19,179 1,180 6,187 23,192 6,200 22,205 1,206 6,214 15,219 10,227 12,231 1,232 15,239 15,244 9,251 18,256 6,264 22,269 2,277 22,281 1091,282 18.077,283 18.077,284 18.077,285 18.077,286 18.077,287 15.842,288 15.96,289 10.617,290 18.122,291 14.206,292 14.206,293 14.206,294 14.206,295 14.206,296 10.748,297 16.641,298 4.952,299 14.248,300 4.322,301 2.442,302 1.565,303 1.19,304 1.11,305 1.11,306 4.019,311 1,312 1,313 525,314 3.162,318 273.526,325 1.454,326 23.972,328 1,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 56.5,338 250,339 4.43,340 3.742,341 6.501,342 4.11,343 3.11,344 3.956,345 1.259,346 10.156,347 3.113,348 4.209,349 3.526,350 6.059,351 3.813,352 2.813,353 3.837,354 0.577,355 8.725,356 2.813,357 4.085,358 2.915,359 6.013,360 3.742,361 2.751,362 3.551,363 0.359,364 8.536,365 2.728,366 3.86,367 2.877,368 5.896,369 3.541,370 2.537,371 3.094,373 8.006,374 2.527,375 3.464,376 2.441,377 5.184,378 3.009,379 2.012,380 2.699,382 6.155,383 2.006,384 2.925,385 2.306,386 4.247,387 2.488,388 1.482,389 2.086,391 3.852,392 1.49,393 2.867,394 1.731,395 4.174,396 2.416,397 1.414,398 2.026,400 3.611,401 1.414,402 2.849,403 1.544,404 4.127,405 2.414,406 1.414,407 1.979,409 3.578,410 1.414,411 2.758,412 1.497,413 3.611,414 2.414,415 1.414,416 1.842,418 2.98,419 1.402,420 2.756,421 1.423,422 3.598,423 2.363,424 1.364,425 1.704,427 2.961,428 1.362,429 2.308,430 1.318,431 3.355,432 1.624,433 0.58,434 0.909,436 1.424,437 0.601,438 2.041,439 0.757,440 2.954,441 1.236,442 0.2,443 0.332,445 0.436,446 0.205,447 1.423,448 0.372,449 2.665,450 1.169,451 0.178,452 0.212,454 0.286,455 0.176,456 1.241,457 0.276,458 2.515,459 0.933,460 -0.1,461 -0.131,463 -0.211,464 -0.102,465 0.953,466 -0.104,467 2.137,468 0.598,469 -0.381,470 -0.462,472 -0.968,473 -0.372,474 13.067,475 0.484,476 0.682,477 0.025,478 35.25,479 1.306,480 19.5,481 0.722,482 15.75,483 0.583,484 21.555,485 0.798,486 27.733,487 0.555,488 28.496,489 1.055,490 7.41,491 0.274,492 5.581,493 0.207,494 0.166,496 0.337,501 0.557,502 1.117,503 0.813,504 1.003,505 0.573,506 0.944,507 0.66,508 0.945,509 0.835,510 0.891,511 0.565,512 0.874,513 0.88,514 1.238,515 1.016,516 1.192,517 0.829,518 1.129,519 1.604,520 0.958,521 1.195,522 0.973,523 1.67,524 1.033,525 0.729,526 1.069,527 0.812,528 1.02,529 0.761,530 0.94,531 1.233,532 1.077,533 0.899,534 0.977,535 1.142,536 0.914,537 1.88,538 0.861,539 1.151,540 0.856,541 1.686,542 0.908,543 1.244,544 1.108,545 1.197,546 1.175,547 1.254,548 1.183,549 5.5,550 0.074,551 3.556,552 1.75,553 1.769,554 1.014,555 0.816,556 0.549,557 0.296,558 0.191,559 7819,560 19216,561 2.014,562 46,563 6,564 17,572 1.709,573 1.862,574 3.199,575 -0.879,582 66.112,583 1.322,584 3.202,585 4.079,586 4.454,587 4.534,588 4.534,589 2.654,590 4.014,591 4.727,592 3.356,593 1177.82,594 8.25,595 15080.7,597 1,600 282.193,601 1.487,602 4.672,603 0.19,604 0.005,605 0.089,606 0.041,607 0.048,608 0.025,609 0.019,610 0.014,611 0.009,612 0.008,613 0.447,614 0.67,615 1,616 0.979,617 131.982,618 0.011,619 -0.068,620 0.039,621 -0.008,622 -0.059,623 0.012,624 0.089,625 0.117,626 0.079,627 0.081,628 0.029,629 0.08,630 0.001,631 -0.232,632 -0.092,633 -0.21,634 0.025,635 -0.169,636 -0.16,637 0.036,638 -0.184,639 -0.011,640 -0.23,641 -0.088,642 0.098,643 -0.094,644 0.151,645 -0.032,646 0.071,647 0.049,648 0.14,649 -0.074,650 0.108,651 -0.017,652 0.202,653 0.033,654 -0.25,655 0.171,656 -0.116,657 0.086,658 -0.124,659 0.017,660 -0.121,661 -0.146,662 -0.226,663 -0.191,664 -0.059,665 -0.214,666 1.839,667 6.113,668 0.667,669 23.621,670 0.99,671 1.11,672 3.626,673 13.15,674 0.686,675 3.401,676 3.714,677 3.97,678 4.159,679 4.419,680 4.466,681 4.554,682 4.644,683 4.727,684 4.718,685 5.859,686 0.645,687 357.48,688 3.401,689 4.934,690 5.778,691 6.642,692 7.506,693 8.377,694 9.248,695 10.123,696 10.998,697 11.876,698 2,705 1,715 8,720 4,722 12,741 50,743 17,744 2,745 29,747 52,748 24,749 12,750 4,751 8,752 8,756 3,757 3,763 2,772 20,773 4,777 5,778 1,782 2,784 3,786 4,790 1,793 23,794 3,796 3,802 1,808 1,809 2,829 3,841 1,844 1,848 1,849 3,850 2,859 3,864 2,868 27,876 2,881 1,893 4,896 2,901 14.5,902 9.7,903 6.056,904 2.917,907 3.086,908 1.435,909 0.976,910 5.637,911 10.189,912 3.714,913 4.263,914 4.808,915 5.251,916 5.773,917 5.962,918 6.284,919 6.651,920 7.003,921 7.267,922 1,923 43,924 10.013,926 4.199,927 0.026,929 7.772,931 19.063,933 15.386,936 2.272,937 61.333,939 1,940 1,941 270.735,942 170.819,943 3.124,945 50.29,948 170.819,949 321.025,950 3.124,951 17.65,952 23.103,953 104.239,954 60.128,955 19.113,957 270.735,959 270.735,960 173.943,961 50.29,964 270.735,965 50.29,968 24.986,969 120.528,970 28.429,972 270.735,973 53.414,974 170.819,977 270.735,978 33.163,979 125.013,981 66.057,982 270.735,983 53.414,984 170.819,986 0.58,987 0.346,988 0.171,989 0.097,990 18,991 9,992 0.058,993 3,995 1,996 3.74,997 228.986,999 18,1000 104.382,1005 18.756,1006 8.115,1007 4.214,1009 53.414,1010 15.817,1015 4.164,1018 494.969,1019 40,1020 3.586,1024 25.358,1026 5.088,1028 1.055,1031 49.476,1032 55.484,1034 0.234,1035 0.567,1036 0.723,1037 0.789,1038 0.803,1039 0.803,1040 4.942,1041 1.414,1042 5.765,1043 3.611,1044 4.394,1045 4.949,1046 1.603,1047 6.564,1048 4.39,1049 6.15,1050 1.414,1051 7.327,1052 3.578,1053 4.007,1054 4.691,1055 0.325,1056 7.441,1057 4.008,1058 7.451,1059 1.364,1060 8.989,1061 2.98,1062 5.984,1063 7.081,1064 1.709,1065 10.521,1066 5.971,1067 8.786,1068 0.58,1069 10.706,1070 2.961,1071 6.399,1072 7.613,1073 0.82,1074 12.174,1075 6.396,1076 10.152,1077 0.2,1078 12.457,1079 1.424,1080 7.852,1081 9.473,1082 1.965,1083 14.766,1084 7.835,1085 11.538,1086 0.178,1087 14.231,1088 0.436,1089 8.628,1090 10.378,1091 1.329,1092 16.742,1093 8.622,1094 12.939,1095 -0.1,1096 16.02,1097 0.286,1098 9.871,1099 12.003,1100 2.285,1101 19.15,1102 9.854,1103 3.11,1104 -0.381,1105 17.819,1106 -0.211,1107 10.815,1108 13.102,1109 1.834,1110 21.28,1111 10.806,1112 2.813,1113 10.156,1114 19.627,1115 -0.968,1116 11.97,1117 14.607,1118 2.643,1119 23.614,1120 11.955,1121 2.751,1122 8.725,1123 21.44,1124 3.956,1125 12.994,1126 15.813,1127 2.335,1128 25.822,1129 12.985,1130 2.537,1131 8.536,1132 23.259,1133 3.837,1134 14.114,1135 17.253,1136 3.026,1137 28.129,1138 14.103,1139 2.012,1140 8.006,1141 25.081,1142 3.551,1143 15.179,1144 18.521,1145 2.832,1146 30.379,1147 15.171,1148 1.482,1149 6.155,1150 26.907,1151 3.094,1152 16.288,1153 19.925,1154 3.428,1155 32.678,1156 16.279,1157 1.414,1158 3.852,1159 28.736,1160 2.699,1161 17.374,1162 21.229,1163 3.324,1164 34.953,1165 17.367,1166 7734,1167 12224,1168 18.898,1169 34.29,1170 44.086,1171 45.077,1172 45.23,1173 42.589,1174 42.544,1175 56.456,1176 4.39,1177 121.41,1178 42.5,1179 5.43,1180 5.742,1181 6.189,1182 5.147,1183 5.11,1184 6.956,1185 2.373,1186 17.193,1187 5.113,1188 14.653,1189 1.52,1190 1.554,1191 1.56,1192 1.469,1193 1.467,1194 1.947,1195 0.151,1196 4.187,1197 1.466,1198 4.028,1199 4.053,1200 3.974,1201 3.963,1202 7.431,1203 3.961,1204 3.918,1205 3.945,1206 3.854,1207 3.873,1208 7.425,1209 3.865,1210 3.793,1211 3.829,1212 3.726,1213 3.673,1214 4.786,1215 3.681,1216 3.547,1217 3.573,1218 3.478,1219 3.411,1220 4.744,1221 3.419,1222 3.279,1223 3.325,1224 3.174,1225 3.204,1226 4.651,1227 3.191,1228 3.171,1229 3.257,1230 2.969,1231 3.025,1232 4.308,1233 3,1234 3.167,1235 3.255,1236 2.958,1237 3.019,1238 4.023,1239 2.994,1240 3.08,1241 3.147,1242 2.935,1243 2.872,1244 3.897,1245 2.875,1246 0.153,1247 0.129,1248 0.224,1249 0.142,1250 0.107,1251 4.43,1252 0.136,1253 3.742,1254 0.043,1255 6.501,1256 0.35,1257 4.11,1258 0.107,1259 3.11,1260 3.956,1261 1.259,1262 10.156,1263 3.113,1264 1.985,1265 1.963,1266 2.089,1267 2.073,1268 1.258,1269 2.077,1270 1.931,1271 1.906,1272 2.05,1273 2,1274 1.167,1275 2.019,1276 1.759,1277 1.726,1278 1.896,1279 1.908,1280 1.067,1281 1.908,1282 1.511,1283 1.477,1284 1.703,1285 1.67,1286 0.716,1287 1.677,1288 1.3,1289 1.258,1290 1.555,1291 1.421,1292 0.604,1293 1.471,1294 1.208,1295 1.128,1296 1.552,1297 1.418,1298 0.602,1299 1.469,1300 1.206,1301 1.125,1302 1.503,1303 1.417,1304 0.536,1305 1.449,1306 1.038,1307 0.968,1308 1.285,1309 1.283,1310 0.372,1311 1.283,1312 4.078,1314 5.389,1316 6.903,1318 8.505,1320 10.15,1322 4.021,1328 0.59,1333 1.655,1340 32.246,1341 66.112,1342 160.113,1343 203.928,1344 222.683,1345 226.683,1346 226.683,1347 56.202,1348 7.102,1349 37.38,1350 37.38,1351 18,1352 12.414,1353 4.17,1354 3.585,1355 46.526,1356 95,1357 85,1358 0.242,1359 201.392,1360 364.42,1361 483.156,1362 10491,1364 19.389,1365 0.718,1366 0.583,1367 19.389,1368 15.736,1369 12.99,1370 0.448,1371 0.31,1372 8.921,1373 12.765,1374 8.562,1375 7.193,1376 12.99,1377 8.978,1378 11.511,1379 0.288,1380 0.169,1381 11.511,1382 6.78,1383 9.936,1384 0.191,1385 0.093,1386 9.936,1387 4.828,1388 7.372,1389 0.117,1390 0.051,1391 7.372,1392 3.197,1393 6.176,1394 0.075,1395 0.027,1396 6.176,1397 2.225,1398 0.37,1399 79.672,1400 0.23,1401 25.523,1402 0.699,1403 138,1404 365.116,1405 144.733,1406 363.219,1407 492.45,1408 338,1409 161,1410 354.09,1411 168.316,1412 367.764,1413 531.54,1414 344,1415 4.76}
{0 CHEMBL2332539,1 1.43,2 9.448,3 3.692,4 13.632,5 114.677,6 7.49,7 0.387,8 4.027,9 4.126,10 3.595,11 3.593,12 5.201,13 3.573,14 4.528,15 4.681,16 3.909,17 3.938,18 5.64,19 3.907,20 4.718,21 4.867,22 4.055,23 4.1,24 5.889,25 4.057,26 4.883,27 5.061,28 3.991,29 4.136,30 6.035,31 4.07,32 4.848,33 5.032,34 4.032,35 4.174,36 5.951,37 4.094,38 4.991,39 5.207,40 4.12,41 4.169,42 6.23,43 4.102,44 4.861,45 5.042,46 4.05,47 4.123,48 6.071,49 4.067,50 4.934,51 5.144,52 3.91,53 4.07,54 6.14,55 3.991,56 0.01,57 0.655,58 9.999,59 4.979,60 8.973,61 6.105,62 0.252,63 1.053,64 19.026,65 7.727,66 24.043,67 9.584,68 0.118,69 1.257,70 22.455,71 9.833,72 35.781,73 12.259,74 0.511,75 1.422,76 29.335,77 11.03,78 76.651,79 13.448,80 0.12,81 1.428,82 26.543,83 11.617,84 34.491,85 15.12,86 0.749,87 1.583,88 34.107,89 12.51,90 104.931,91 16.51,92 0.218,93 1.43,94 27.612,95 11.013,96 57.384,97 13.982,98 0.752,99 1.462,100 32.831,101 11.398,102 104.074,103 14.275,104 36,105 42,106 0.237,107 0.55,108 0.69,109 0.75,110 0.763,111 0.763,112 3.409,113 0.891,114 -3.8,115 -3.76,116 -3.57,121 46.2,126 2,127 2,136 1,137 3,138 2,144 8,145 2,146 2,158 1,160 1,176 13,179 1,180 10,187 13,192 12,200 12,205 1,206 10,214 11,219 6,227 10,231 5,232 13,239 11,244 9,251 12,255 2,256 8,264 13,269 6,277 12,281 1337,282 19.817,283 19.817,284 19.817,285 19.817,286 19.817,287 17.687,288 19.736,289 11.657,290 20.205,291 15.081,292 15.081,293 15.081,294 15.081,295 15.081,296 11.601,297 23.003,298 5.249,299 15.483,300 4.271,301 2.386,302 1.544,303 1.183,304 1.106,305 1.106,306 4.089,311 1,312 1,313 571,314 3.464,318 295.069,325 1.536,326 31.724,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 62.5,338 274,339 4.435,340 3.742,341 6.506,342 4.111,343 3.114,344 3.968,345 1.259,346 10.18,347 3.109,348 4.236,349 3.526,350 6.157,351 3.827,352 2.854,353 3.86,354 0.86,355 9.108,356 2.777,357 4.111,358 3.049,359 6.104,360 3.756,361 2.788,362 3.566,363 0.86,364 8.886,365 2.695,366 3.862,367 3.025,368 5.912,369 3.544,370 2.546,371 3.095,372 0.577,373 8.076,374 2.523,375 3.478,376 2.449,377 5.213,378 3.021,379 2.038,380 2.71,381 0.359,382 6.279,383 2.002,384 2.929,385 2.36,386 4.405,387 2.529,388 1.572,389 2.096,391 4.203,392 1.502,393 2.917,394 1.93,395 4.299,396 2.47,397 1.515,398 2.087,400 3.915,401 1.439,402 2.917,403 1.81,404 4.196,405 2.446,406 1.451,407 2.051,409 3.579,410 1.434,411 2.77,412 1.591,413 3.64,414 2.415,415 1.414,416 1.857,418 3.047,419 1.402,420 2.759,421 1.423,422 3.62,423 2.37,424 1.373,425 1.704,427 3.01,428 1.367,429 2.31,430 1.324,431 3.355,432 1.64,433 0.628,434 0.931,436 1.457,437 0.625,438 2.044,439 0.94,440 2.97,441 1.431,442 0.531,443 0.614,445 0.91,446 0.472,447 1.717,448 0.94,449 2.758,450 1.368,451 0.436,452 0.547,454 0.715,455 0.402,456 1.67,457 0.757,458 2.688,459 1.2,460 0.167,461 0.283,463 0.231,464 0.171,465 1.25,466 0.267,467 2.568,468 0.951,474 13.733,475 0.474,476 0.606,477 0.021,478 38.25,479 1.319,480 20.5,481 0.707,482 17.75,483 0.612,484 22.271,485 0.768,486 30.667,487 0.59,488 32.964,489 1.137,490 8.297,491 0.286,492 5.769,493 0.199,494 0.158,496 0.32,501 0.708,502 1.226,503 0.763,504 1.102,505 0.595,506 0.969,507 1.095,508 0.888,509 0.888,510 0.821,511 0.7,512 0.811,513 0.949,514 1.236,515 0.931,516 1.173,517 0.861,518 1.069,519 1.497,520 0.906,521 1.198,522 0.911,523 1.738,524 0.986,525 0.718,526 1.252,527 0.943,528 1.219,529 0.809,530 1.139,531 0.857,532 0.875,533 0.815,534 0.834,535 0.986,536 0.82,537 1.078,538 1.197,539 0.999,540 1.147,541 1.247,542 1.069,543 1.454,544 0.754,545 1.154,546 0.799,547 1.612,548 0.896,549 5.5,550 0.091,551 3.556,552 1.75,553 1.849,554 1.139,555 0.897,556 0.58,557 0.386,558 0.231,559 9345,560 26306,561 2.013,562 44.2,564 23,572 1.728,573 1.871,574 3.253,575 -0.819,577 1,582 74.342,583 1.43,584 3.314,585 4.157,586 4.518,587 4.594,588 4.594,589 2.695,590 4.099,591 4.83,592 3.427,593 1391.44,594 8.46,595 18781.4,597 1,599 1,600 296.423,601 1.453,602 4.78,603 0.177,604 0.004,605 0.085,606 0.037,607 0.043,608 0.025,609 0.019,610 0.013,611 0.01,612 0.008,613 0.421,614 0.5,615 1,616 1.111,617 145.325,618 -0.004,619 -0.145,620 0.051,621 -0.079,622 -0.053,623 -0.019,624 -0.082,625 0.182,626 0.034,627 0.156,628 -0.03,629 0.123,630 -0.039,631 -0.209,632 -0.028,633 -0.176,634 0.03,635 -0.113,636 -0.223,637 0.1,638 -0.207,639 0.054,640 -0.274,641 -0.052,642 0.014,643 -0.255,644 -0.032,645 -0.216,647 -0.148,648 0.256,649 0.112,650 0.202,651 0.13,652 0.237,653 0.15,654 -0.064,655 -0.18,656 -0.043,657 -0.174,658 -0.004,659 -0.115,660 -0.091,661 0.232,662 -0.109,663 0.15,664 -0.097,665 0.046,666 1.894,667 6.208,668 0.621,669 26.307,670 1.003,671 1.114,672 2.567,673 6.589,674 0.677,675 3.466,676 3.761,677 4.043,678 4.248,679 4.489,680 4.554,681 4.654,682 4.736,683 4.828,684 4.868,685 6.15,686 0.648,687 389.48,688 3.466,689 4.99,690 5.838,691 6.703,692 7.57,693 8.443,694 9.316,695 10.194,696 11.07,697 11.95,698 1.9,705 1,715 8,720 4,722 12,739 2,741 52,743 17,744 2,745 31,747 54,748 24,749 12,750 4,751 8,752 8,756 3,757 3,772 20,773 4,777 5,778 1,782 2,784 3,786 4,790 1,793 23,794 5,796 5,802 1,808 1,809 4,829 3,841 1,844 1,848 1,849 3,850 2,859 3,864 2,868 29,876 2,878 2,881 1,893 7.7,896 2,898 2,901 15.5,902 10.033,903 6.722,904 2.833,907 3.205,908 1.44,909 0.957,910 6.683,911 10.483,912 3.761,913 4.29,914 4.856,915 5.312,916 5.832,917 6.041,918 6.381,919 6.708,920 7.067,921 7.36,922 1,923 47,924 10.73,926 4.466,927 0.026,929 7.856,931 20.132,933 15.875,936 2.356,937 68.333,939 1,940 1,941 270.735,942 179.05,943 3.124,945 72.29,948 179.05,949 343.025,950 3.124,951 21.766,952 23.103,953 104.239,954 60.128,955 45.229,957 270.735,959 270.735,960 182.175,961 72.29,964 270.735,965 72.29,968 7.336,969 146.41,970 28.429,972 270.735,973 75.414,974 179.05,977 270.735,978 37.279,979 129.129,981 88.057,982 270.735,983 75.414,984 179.05,986 0.568,987 0.352,988 0.184,989 0.1,990 18,991 9,992 0.093,993 5,995 1,996 3.878,997 252.767,999 18,1000 118.881,1005 20.626,1006 9.397,1007 4.665,1009 75.414,1010 14.888,1015 2.885,1018 525.2,1019 42,1020 3.573,1024 25.516,1026 4.816,1028 0.693,1031 52.131,1032 57.903,1034 0.251,1035 0.581,1036 0.729,1037 0.792,1038 0.806,1039 0.806,1040 4.984,1041 1.451,1042 5.814,1043 3.915,1044 4.443,1045 4.977,1046 2.07,1047 6.619,1048 4.402,1049 6.179,1050 1.414,1051 7.376,1052 3.579,1053 4.007,1054 4.691,1055 0.325,1056 7.522,1057 3.964,1058 7.477,1059 1.373,1060 9.038,1061 3.047,1062 6.033,1063 7.105,1064 2.043,1065 10.602,1066 5.961,1067 8.812,1068 0.628,1069 10.758,1070 3.01,1071 6.431,1072 7.635,1073 0.82,1074 12.289,1075 6.355,1076 10.179,1077 0.531,1078 12.514,1079 1.457,1080 7.904,1081 9.499,1082 2.169,1083 14.874,1084 7.808,1085 11.567,1086 0.436,1087 14.292,1088 0.91,1089 8.677,1090 10.41,1091 1.329,1092 16.877,1093 8.576,1094 12.971,1095 0.167,1096 16.086,1097 0.715,1098 9.927,1099 12.035,1100 2.4,1101 19.281,1102 9.814,1103 3.114,1105 17.891,1106 0.231,1107 10.874,1108 13.143,1109 1.834,1110 21.428,1111 10.756,1112 2.854,1113 10.18,1114 19.703,1116 12.032,1117 14.647,1118 2.704,1119 23.759,1120 11.906,1121 2.788,1122 9.108,1123 21.522,1124 3.968,1125 13.06,1126 15.862,1127 2.335,1128 25.976,1129 12.93,1130 2.546,1131 8.886,1132 23.345,1133 3.86,1134 14.182,1135 17.302,1136 3.057,1137 28.28,1138 14.048,1139 2.038,1140 8.076,1141 25.171,1142 3.566,1143 15.249,1144 18.577,1145 2.832,1146 30.533,1147 15.113,1148 1.572,1149 6.279,1150 27.001,1151 3.095,1152 16.359,1153 19.982,1154 3.444,1155 32.829,1156 16.221,1157 1.515,1158 4.203,1159 28.834,1160 2.71,1161 17.447,1162 21.293,1163 3.324,1164 35.102,1165 17.308,1166 9296,1167 15698,1168 20.285,1169 35.199,1170 46.373,1171 47.976,1172 47.818,1173 44.887,1174 44.856,1175 58.736,1176 7.83,1177 127.192,1178 43.839,1179 5.435,1180 5.742,1181 6.2,1182 5.148,1183 5.114,1184 6.968,1185 2.373,1186 17.223,1187 5.109,1188 15.58,1189 1.496,1190 1.548,1191 1.543,1192 1.448,1193 1.447,1194 1.895,1195 0.253,1196 4.103,1197 1.414,1198 4.021,1199 4.043,1200 3.971,1201 3.943,1202 7.431,1203 3.945,1204 3.905,1205 3.924,1206 3.85,1207 3.843,1208 7.425,1209 3.841,1210 3.786,1211 3.818,1212 3.724,1213 3.661,1214 4.891,1215 3.671,1216 3.547,1217 3.572,1218 3.478,1219 3.411,1220 4.856,1221 3.418,1222 3.279,1223 3.325,1224 3.174,1225 3.204,1226 4.653,1227 3.191,1228 3.25,1229 3.316,1230 3.064,1231 2.972,1232 4.413,1233 2.981,1234 3.247,1235 3.313,1236 3.061,1237 2.965,1238 4.393,1239 2.975,1240 3.082,1241 3.149,1242 2.94,1243 2.874,1244 4.296,1245 2.878,1246 0.143,1247 0.121,1248 0.21,1249 0.133,1250 0.1,1251 4.435,1252 0.128,1253 3.742,1254 0.041,1255 6.506,1256 0.328,1257 4.111,1258 0.1,1259 3.114,1260 3.968,1261 1.259,1262 10.18,1263 3.109,1264 1.965,1265 1.946,1266 2.059,1267 2.065,1268 1.238,1269 2.063,1270 1.899,1271 1.88,1272 2.005,1273 1.985,1274 1.103,1275 1.991,1276 1.746,1277 1.715,1278 1.88,1279 1.9,1280 1.016,1281 1.894,1282 1.51,1283 1.477,1284 1.702,1285 1.669,1286 0.706,1287 1.676,1288 1.3,1289 1.258,1290 1.574,1291 1.515,1292 0.574,1293 1.534,1294 1.197,1295 1.124,1296 1.572,1297 1.512,1298 0.573,1299 1.532,1300 1.197,1301 1.123,1302 1.503,1303 1.418,1304 0.536,1305 1.449,1306 1.041,1307 0.971,1308 1.287,1309 1.284,1310 0.374,1311 1.284,1312 4.143,1314 5.442,1316 6.954,1318 8.558,1320 10.207,1322 3.168,1328 0.427,1330 10.773,1333 1.594,1340 33.675,1341 74.342,1342 172.343,1343 216.158,1344 234.913,1345 238.913,1346 238.913,1347 64.9,1348 7.279,1349 55.84,1350 55.84,1351 18,1352 12.487,1353 4.17,1354 3.585,1355 51.948,1356 107,1357 95,1358 0.239,1359 209.384,1360 382,1361 502.658,1362 13297,1364 20.803,1365 0.717,1366 0.571,1367 20.803,1368 16.552,1369 14.066,1370 0.454,1371 0.297,1372 9.063,1373 13.535,1374 8.757,1375 7.34,1376 14.066,1377 9.202,1378 11.893,1379 0.283,1380 0.156,1381 11.893,1382 6.551,1383 10.54,1384 0.188,1385 0.084,1386 10.54,1387 4.729,1388 8.15,1389 0.118,1390 0.047,1391 8.15,1392 3.271,1393 6.636,1394 0.075,1395 0.025,1396 6.636,1397 2.205,1398 0.366,1399 88.359,1400 0.222,1401 27.086,1402 0.687,1403 146,1404 460.587,1405 158.49,1406 438.352,1407 588.25,1408 410,1409 171,1410 415.181,1411 184.296,1412 425.907,1413 616.5,1414 396,1415 5.059}
{0 CHEMBL2332540,1 1.539,2 12.608,3 3.816,4 14.559,5 189.678,6 7.537,7 0.3,8 4.633,9 4.746,10 4.226,11 4.222,12 5.664,13 4.201,14 5.262,15 5.419,16 4.711,17 4.733,18 6.252,19 4.695,20 5.642,21 5.838,22 4.887,23 4.968,24 6.633,25 4.906,26 5.8,27 6.001,28 4.991,29 5.063,30 6.845,31 5.004,32 5.88,33 6.077,34 5.029,35 5.102,36 7.035,37 5.042,38 5.92,39 6.142,40 4.936,41 5.096,42 7.042,43 5.006,44 5.868,45 6.102,46 4.848,47 5.052,48 6.901,49 4.949,50 5.815,51 6.042,52 4.827,53 5.029,54 6.86,55 4.929,56 0.035,57 1.417,58 18.118,59 8.699,60 12.082,61 11.089,62 0.317,63 2.578,64 37.209,65 15.791,66 47.107,67 20.896,68 0.621,69 3.528,70 59.633,71 23.409,72 94.502,73 30.971,74 0.831,75 3.932,76 71.948,77 26.933,78 141.323,79 35.364,80 1.158,81 4.126,82 78.567,83 28.448,84 199.256,85 36.992,86 1.39,87 4.2,88 85.081,89 30.596,90 243.688,91 40.61,92 1.03,93 4.005,94 80.988,95 29.933,96 188.465,97 40.386,98 1.081,99 3.911,100 76.452,101 28.834,102 205.524,103 38.296,104 26,105 95,106 0.225,107 0.544,108 0.714,109 0.827,110 0.856,111 0.885,112 3.955,113 0.921,114 -4.91,115 -4.81,116 -4.51,121 45.1,123 7,124 1,125 1,127 4,129 2,132 2,137 1,138 1,144 12,145 3,146 3,158 1,160 3,176 19,179 1,180 16,183 2,185 4,187 21,191 2,192 13,195 2,197 6,200 21,205 3,206 20,211 5,214 21,218 4,219 24,222 2,224 5,227 23,231 4,232 20,235 2,237 1,239 27,243 1,244 20,247 1,249 2,251 24,256 18,261 5,264 27,268 2,269 10,274 5,277 33,281 5631,282 35.018,283 35.018,284 35.018,285 35.018,286 35.018,287 32.192,288 47.515,289 19.661,290 35.374,291 29.567,292 29.567,293 29.567,294 29.567,295 29.567,296 25.16,297 68.318,298 9.19,299 30.168,300 4.969,301 2.794,302 1.63,303 0.857,304 0.659,305 0.462,306 4.69,312 1,313 1490,314 4.69,317 600.091,318 510.855,320 352.682,321 321.42,325 1.52,326 77.567,329 0.75,330 0.5,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.73,337 110,338 643,339 5.185,340 4.571,341 9.087,342 5.108,343 4.123,344 4.397,345 2.086,346 19.713,347 4.064,348 4.961,349 4.379,350 8.511,351 4.851,352 3.875,353 4.253,354 2.086,355 17.408,356 3.782,357 4.369,358 3.846,359 7.301,360 4.125,361 3.134,362 3.808,363 1.943,364 12.204,365 3.108,366 4.063,367 3.672,368 6.289,369 3.741,370 2.767,371 3.607,372 1.277,373 9.177,374 2.695,375 3.991,376 3.176,377 6.275,378 3.71,379 2.74,380 3.336,381 0.942,382 9.112,383 2.665,384 3.916,385 3.164,386 6.074,387 3.628,388 2.648,389 3.245,390 0.942,391 8.591,392 2.582,393 3.814,394 2.919,395 5.931,396 3.573,397 2.6,398 3.027,399 0.736,400 8.02,401 2.522,402 3.57,403 2.798,404 5.856,405 3.303,406 2.325,407 2.782,408 0.357,409 7.555,410 2.272,411 3.503,412 2.798,413 5.753,414 3.269,415 2.283,416 2.618,417 0.357,418 7.27,419 2.249,420 3.494,421 2.627,422 5.441,423 3.159,424 2.168,425 2.614,426 0.079,427 6.693,428 2.139,429 3.244,430 2.5,431 5.355,432 2.935,433 1.949,434 2.388,435 0.047,436 6.094,437 1.914,438 3.145,439 2.382,440 5.151,441 2.897,442 1.912,443 2.221,444 0.047,445 5.567,446 1.856,447 3.027,448 2.277,449 5.085,450 2.742,451 1.759,452 2.134,454 5.275,455 1.718,456 2.903,457 2.159,458 4.882,459 2.715,460 1.738,461 1.97,463 5.242,464 1.69,465 2.839,466 1.928,467 4.526,468 2.359,469 1.354,470 1.97,472 3.673,473 1.358,474 24.119,475 0.473,476 1.506,477 0.03,478 61,479 1.196,480 26.5,481 0.52,482 34.5,483 0.676,484 65.744,485 1.289,486 53.881,487 0.592,488 61.356,489 1.203,490 11.047,491 0.217,492 13.721,493 0.269,494 0.067,495 0.062,496 0.34,499 1,501 0.597,502 1.154,503 0.728,504 1.006,505 0.475,506 0.907,507 0.608,508 1.104,509 0.816,510 0.997,511 0.474,512 0.945,513 0.853,514 1.009,515 0.931,516 1.014,517 0.792,518 0.985,519 1.05,520 0.98,521 0.966,522 1.002,523 1.078,524 0.973,525 1.161,526 0.952,527 1.07,528 1.045,529 1.221,530 1.041,531 1.078,532 0.876,533 1.07,534 0.985,535 1.13,536 1.02,537 0.946,538 0.879,539 1.009,540 0.984,541 0.953,542 1.003,543 1.002,544 0.893,545 1.029,546 0.974,547 1.048,548 1.004,549 12,550 0.959,551 8.889,552 7.41,553 4.796,554 2.954,555 2.093,556 1.18,557 1.109,558 0.897,559 46186,560 109298,561 2.228,562 44,564 23,567 2,568 2,569 13,572 1.867,573 2.089,574 3.527,575 0.039,582 140.063,583 1.539,584 3.714,585 4.878,586 5.651,587 5.848,588 6.046,589 2.868,590 5.437,591 5.647,592 3.735,593 4762.34,594 10.114,595 89083,600 592.209,601 1.593,602 5.6,603 0.2,604 0.008,605 0.094,606 0.068,607 0.04,608 0.025,609 0.019,610 0.012,611 0.011,612 0.008,613 0.486,614 0.33,615 0.75,616 0.44,617 297.178,618 -0.023,619 -0.073,620 0.065,621 0.022,622 0.001,623 0.051,624 0.051,625 -0.048,626 0.04,627 -0.003,628 0.041,629 0.012,630 -0.006,631 -0.004,633 -0.028,634 -0.009,635 -0.014,636 -0.055,637 -0.034,638 -0.003,639 -0.027,640 -0.063,641 -0.009,642 -0.05,643 -0.048,644 -0.092,645 -0.086,646 -0.036,647 -0.094,648 -0.021,649 0.006,650 -0.072,651 -0.016,652 -0.003,653 -0.046,654 -0.036,655 -0.008,656 -0.021,657 -0.002,658 -0.006,659 -0.006,660 -0.037,661 0.035,662 -0.042,663 0.021,664 -0.03,665 -0.006,666 2.524,667 8.251,668 0.843,669 52.992,670 1.003,671 1.122,672 3.676,673 13.512,674 0.676,675 4.111,676 4.564,677 5.024,678 5.468,679 5.787,680 6.026,681 6.267,682 6.447,683 6.616,684 6.795,685 7.749,686 0.647,687 685.86,688 4.111,689 5.74,690 6.688,691 7.664,692 8.641,693 9.63,694 10.619,695 11.614,696 12.609,697 13.608,698 5.5,701 2,705 3,715 12,720 6,722 18,740 1,741 91,743 23,744 3,745 60,747 100,748 41,749 18,750 6,751 12,752 3,756 10,757 14,764 1,766 1,767 8,768 3,770 9,772 24,773 17,774 3,777 5,782 4,784 1,786 5,791 1,793 40,794 10,795 2,796 10,802 5,808 0.3,809 4,825 4,828 6,829 4,831 2,832 2,841 1,843 2,844 1,849 1,850 1,855 2,859 3,866 1,868 51,876 11,877 2,880 3,881 3,882 3,892 1,893 4.4,896 4,901 24.417,902 16.243,903 10.646,904 6.004,907 2.467,908 1.233,909 1.022,910 6.915,911 13.079,912 4.317,913 4.909,914 5.5,915 6.077,916 6.582,917 6.847,918 7.216,919 7.561,920 7.793,921 8.077,922 1,923 109,924 19.446,926 9.421,927 0.026,929 7.766,931 37.227,933 34.702,936 2.266,937 115.583,941 447.302,942 195.98,943 45.394,945 100.58,946 14.96,948 195.98,949 547.882,950 60.355,952 65.31,953 123.191,954 119.827,955 33.625,956 14.96,957 447.302,959 447.302,960 241.374,961 115.54,964 309.238,965 253.604,968 71.559,969 160.339,970 9.476,972 462.262,973 145.974,974 195.98,977 447.302,978 72.789,979 132.564,980 36.022,981 115.54,982 447.302,983 160.934,984 195.98,986 0.605,987 0.387,988 0.237,989 0.135,990 56,991 23,992 0.03,993 3,994 4,995 1.256,996 5.279,997 697.588,998 0.186,999 46,1000 285.294,1005 31.57,1006 11.171,1007 4.087,1009 160.934,1010 21.496,1015 3.515,1017 36.022,1018 804.216,1019 74,1024 58.932,1026 1.771,1028 -0.096,1031 91.236,1032 102.142,1034 0.237,1035 0.571,1036 0.75,1037 0.868,1038 0.899,1039 0.929,1040 5.665,1041 2.325,1042 6.753,1043 8.02,1044 5.252,1045 5.598,1046 3.386,1047 7.802,1048 5.214,1049 6.895,1050 2.283,1051 8.464,1052 7.555,1053 5.165,1054 5.521,1055 2.78,1056 9.47,1057 5.106,1058 8.263,1059 2.168,1060 10.307,1061 7.27,1062 7.102,1063 7.727,1064 4.348,1065 12.765,1066 7.025,1067 9.673,1068 1.949,1069 12.242,1070 6.693,1071 7.92,1072 8.472,1073 4.447,1074 15.374,1075 7.825,1076 11.13,1077 1.912,1078 14.245,1079 6.094,1080 9.413,1081 10.206,1082 5.581,1083 18.373,1084 9.301,1085 12.62,1086 1.759,1087 16.296,1088 5.567,1089 10.597,1090 11.313,1091 5.988,1092 21.239,1093 10.468,1094 14.139,1095 1.738,1096 18.384,1097 5.275,1098 11.987,1099 12.878,1100 6.924,1101 24.193,1102 11.843,1103 4.123,1104 1.354,1105 20.499,1106 5.242,1107 13.304,1108 14.158,1109 7.482,1110 27.123,1111 13.144,1112 3.875,1113 19.713,1114 22.633,1115 3.673,1116 14.683,1117 15.657,1118 8.318,1119 30.075,1120 14.506,1121 3.134,1122 17.408,1123 24.782,1124 4.397,1125 16.047,1126 17.021,1127 8.954,1128 33.025,1129 15.855,1130 2.767,1131 12.204,1132 26.941,1133 4.253,1134 17.431,1135 18.494,1136 9.738,1137 35.981,1138 17.223,1139 2.74,1140 9.177,1141 29.109,1142 3.808,1143 18.815,1144 19.903,1145 10.416,1146 38.939,1147 18.591,1148 2.648,1149 9.112,1150 31.282,1151 3.607,1152 20.205,1153 21.366,1154 11.173,1155 41.901,1156 19.966,1157 2.6,1158 8.591,1159 33.459,1160 3.336,1161 21.598,1162 22.8,1163 11.873,1164 44.864,1165 21.343,1166 40771,1167 62880,1168 40.857,1169 61.489,1170 95.778,1171 98.923,1172 100.47,1173 94.69,1174 94.661,1175 113.141,1176 21.804,1177 312.337,1178 92.976,1179 6.185,1180 6.571,1181 8.767,1182 6.172,1183 6.123,1184 7.397,1185 3.624,1186 29.704,1187 6.064,1188 21.65,1189 1.596,1190 1.649,1191 1.675,1192 1.578,1193 1.578,1194 1.886,1195 0.363,1196 5.206,1197 1.55,1198 4.171,1199 4.205,1200 4.121,1201 4.067,1202 8.201,1203 4.076,1204 4.083,1205 4.118,1206 4.036,1207 3.985,1208 7.435,1209 3.992,1210 3.934,1211 3.961,1212 3.884,1213 3.867,1214 7.427,1215 3.867,1216 3.835,1217 3.875,1218 3.765,1219 3.74,1220 7.425,1221 3.739,1222 3.819,1223 3.865,1224 3.724,1225 3.718,1226 7.422,1227 3.712,1228 3.736,1229 3.788,1230 3.641,1231 3.584,1232 4.79,1233 3.59,1234 3.543,1235 3.586,1236 3.442,1237 3.408,1238 4.752,1239 3.404,1240 3.402,1241 3.442,1242 3.319,1243 3.262,1244 4.673,1245 3.264,1246 0.086,1247 0.076,1248 0.151,1249 0.085,1250 0.069,1251 5.185,1252 0.073,1253 4.571,1254 0.035,1255 9.087,1256 0.329,1257 5.108,1258 0.068,1259 4.123,1260 4.397,1261 2.086,1262 19.713,1263 4.064,1264 1.965,1265 1.943,1266 2.062,1267 2.07,1268 1.42,1269 2.067,1270 1.902,1271 1.878,1272 2.009,1273 1.981,1274 1.375,1275 1.991,1276 1.891,1277 1.867,1278 1.993,1279 1.969,1280 1.216,1281 1.978,1282 1.795,1283 1.762,1284 1.938,1285 1.924,1286 1.196,1287 1.928,1288 1.713,1289 1.67,1290 1.915,1291 1.855,1292 1.139,1293 1.874,1294 1.594,1295 1.535,1296 1.836,1297 1.762,1298 1.1,1299 1.793,1300 1.544,1301 1.495,1302 1.768,1303 1.744,1304 1.078,1305 1.73,1306 1.507,1307 1.454,1308 1.698,1309 1.739,1310 0.996,1311 1.723,1312 4.796,1314 6.217,1315 4.111,1316 7.849,1317 6.648,1318 9.593,1319 8.909,1320 11.407,1324 13.968,1328 6.808,1329 6.274,1332 -0.031,1333 6.383,1334 -3.436,1340 58.832,1341 140.063,1342 337.968,1343 443.906,1344 514.209,1345 532.209,1346 550.209,1347 129.884,1348 10.612,1349 102.06,1350 102.06,1351 54,1352 14.068,1353 4.585,1354 3.907,1355 59.951,1356 235,1357 272,1358 0.121,1359 340.294,1360 620.83,1361 822.076,1362 769207,1363 1.1,1364 34.7,1365 0.68,1366 0.556,1367 33.829,1368 28.368,1369 24.768,1370 0.413,1371 0.307,1372 18.217,1373 24.001,1374 17.921,1375 14.529,1376 24.374,1377 18.413,1378 23.72,1379 0.25,1380 0.165,1381 23.098,1382 15.678,1383 22.456,1384 0.149,1385 0.089,1386 22.045,1387 13.421,1388 21.214,1389 0.09,1390 0.049,1391 21.072,1392 11.644,1393 18.369,1394 0.057,1395 0.027,1396 18.078,1397 8.777,1398 0.184,1399 154.203,1400 0.156,1401 41.801,1402 0.355,1403 310,1404 812.654,1405 335.261,1406 760.689,1407 1051.97,1408 712,1409 401,1410 787.541,1411 429.365,1412 789.534,1413 1200.37,1414 750,1415 4.626}
{0 CHEMBL2332541,1 1.539,2 12.608,3 4.275,4 18.271,5 194.266,6 7.718,7 0.3,8 4.631,9 4.743,10 4.246,11 4.236,12 5.642,13 4.208,14 5.261,15 5.416,16 4.736,17 4.749,18 6.222,19 4.703,20 5.639,21 5.833,22 4.909,23 4.985,24 6.602,25 4.915,26 5.798,27 5.998,28 5.001,29 5.073,30 6.83,31 5.008,32 5.88,33 6.076,34 5.038,35 5.108,36 7.028,37 5.044,38 5.919,39 6.14,40 4.946,41 5.104,42 7.033,43 5.009,44 5.867,45 6.1,46 4.869,47 5.063,48 6.889,49 4.955,50 5.812,51 6.036,52 4.866,53 5.046,54 6.809,55 4.938,56 0.022,57 1.33,58 17.78,59 8.538,60 9.633,61 11.052,62 0.293,63 2.444,64 37.002,65 15.679,66 41.651,67 20.939,68 0.554,69 3.36,70 61.092,71 23.584,72 78.529,73 31.39,74 0.748,75 3.829,76 72.969,77 27.199,78 123.414,79 35.638,80 1.094,81 4.107,82 77.894,83 28.64,84 186.851,85 36.887,86 1.314,87 4.166,88 85.706,89 30.991,90 229.341,91 40.781,92 0.964,93 3.955,94 81.587,95 30.33,96 176.409,97 40.599,98 0.906,99 3.723,100 79.667,101 29.264,102 166.133,103 38.743,104 26,105 95,106 0.225,107 0.544,108 0.714,109 0.827,110 0.856,111 0.885,112 3.955,113 0.94,114 -4.99,115 -4.89,116 -4.59,121 45.1,123 7,124 1,125 1,127 4,129 2,132 2,137 1,138 1,144 12,145 3,146 3,158 1,160 3,176 19,179 1,180 16,183 2,185 4,187 23,191 2,192 13,195 2,197 6,200 23,205 3,206 20,211 5,214 22,218 4,219 24,222 2,224 5,227 24,231 4,232 20,235 2,237 1,239 28,243 1,244 20,247 1,249 2,251 24,256 20,261 5,264 28,268 2,269 10,274 5,277 34,281 5631,282 35.018,283 35.018,284 35.018,285 35.018,286 35.018,287 32.192,288 47.489,289 19.661,290 35.448,291 29.567,292 29.567,293 29.567,294 29.567,295 29.567,296 25.16,297 68.297,298 9.19,299 30.319,300 4.969,301 2.794,302 1.63,303 0.857,304 0.659,305 0.462,306 4.69,308 1,312 1,313 1490,314 4.69,317 600.091,318 510.855,320 352.682,321 321.42,325 1.52,326 70.352,329 0.75,330 0.5,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.73,337 108.833,338 643,339 5.185,340 4.571,341 9.087,342 5.108,343 4.123,344 4.397,345 2.086,346 19.713,347 4.064,348 4.961,349 4.379,350 8.511,351 4.851,352 3.875,353 4.253,354 2.086,355 17.408,356 3.782,357 4.369,358 3.846,359 7.301,360 4.125,361 3.134,362 3.808,363 1.943,364 12.204,365 3.108,366 4.063,367 3.672,368 6.289,369 3.741,370 2.767,371 3.607,372 1.277,373 9.177,374 2.695,375 3.991,376 3.176,377 6.275,378 3.709,379 2.74,380 3.336,381 0.942,382 9.112,383 2.661,384 3.916,385 3.164,386 6.074,387 3.624,388 2.648,389 3.245,390 0.942,391 8.591,392 2.574,393 3.814,394 2.938,395 5.931,396 3.569,397 2.6,398 3.027,399 0.736,400 8.02,401 2.512,402 3.57,403 2.798,404 5.856,405 3.294,406 2.325,407 2.782,408 0.357,409 7.555,410 2.26,411 3.503,412 2.798,413 5.753,414 3.267,415 2.283,416 2.618,417 0.357,418 7.27,419 2.244,420 3.494,421 2.629,422 5.441,423 3.149,424 2.168,425 2.614,426 0.079,427 6.693,428 2.111,429 3.244,430 2.501,431 5.355,432 2.931,433 1.949,434 2.388,435 0.047,436 6.094,437 1.912,438 3.145,439 2.382,440 5.151,441 2.872,442 1.912,443 2.221,444 0.047,445 5.567,446 1.742,447 3.027,448 2.279,449 5.085,450 2.741,451 1.759,452 2.134,454 5.275,455 1.699,456 2.903,457 2.161,458 4.882,459 2.715,460 1.738,461 1.97,463 5.242,464 1.69,465 2.839,466 1.928,467 4.526,468 2.359,469 1.354,470 1.97,472 3.673,473 1.358,474 24.548,475 0.481,476 1.506,477 0.03,478 61,479 1.196,480 26.5,481 0.52,482 34.5,483 0.676,484 66.884,485 1.311,486 53.452,487 0.587,488 60.216,489 1.181,490 10.916,491 0.214,492 13.852,493 0.272,494 0.083,495 0.061,496 0.334,501 0.623,502 1.233,503 0.664,504 0.962,505 0.48,506 0.886,507 0.631,508 1.168,509 0.74,510 0.952,511 0.482,512 0.923,513 0.88,514 1.062,515 0.889,516 1.005,517 0.82,518 0.98,519 1.154,520 1.081,521 0.884,522 0.998,523 1.226,524 0.968,525 1.344,526 1.079,527 0.905,528 1.016,529 1.485,530 1.021,531 1.222,532 0.979,533 0.932,534 0.968,535 1.337,536 1.006,537 1.068,538 0.962,539 0.871,540 0.95,541 1.119,542 0.983,543 1.085,544 0.962,545 0.962,546 0.984,547 1.165,548 1.001,549 12,550 0.959,551 8.889,552 7.41,553 4.796,554 2.954,555 2.093,556 1.18,557 1.109,558 0.897,559 46186,560 109298,561 2.228,562 44,564 23,567 2,568 2,569 13,572 1.867,573 2.089,574 3.527,575 0.039,582 140.063,583 1.539,584 3.714,585 4.878,586 5.651,587 5.848,588 6.046,589 2.868,590 5.437,591 5.647,592 3.735,593 4762.34,594 10.114,595 89083,600 592.209,601 1.593,602 5.6,603 0.2,604 0.008,605 0.094,606 0.068,607 0.04,608 0.025,609 0.019,610 0.012,611 0.011,612 0.008,613 0.486,614 0.33,615 0.75,616 0.44,617 297.178,618 -0.023,619 -0.082,620 0.05,621 0.019,622 0.001,623 0.049,624 0.063,625 -0.035,626 0.037,627 0.009,628 0.039,629 0.016,630 0.005,631 -0.005,632 -0.013,633 -0.036,634 -0.007,635 -0.019,636 -0.053,637 -0.05,638 -0.018,639 -0.04,640 -0.065,641 -0.016,642 -0.053,643 -0.047,644 -0.076,645 -0.077,646 -0.039,647 -0.091,648 -0.019,649 0.012,650 -0.061,651 -0.013,652 0.006,653 -0.045,654 -0.043,655 0.015,656 -0.004,657 0.019,658 -0.007,659 0.002,660 -0.069,661 0.008,662 -0.027,663 0.005,664 -0.065,665 -0.008,666 2.485,667 8.299,668 0.843,669 52.992,670 1.001,671 1.118,672 3.76,673 14.136,674 0.686,675 4.111,676 4.564,677 5.024,678 5.468,679 5.787,680 6.026,681 6.267,682 6.447,683 6.616,684 6.795,685 7.749,686 0.651,687 702.31,688 4.111,689 5.74,690 6.688,691 7.664,692 8.641,693 9.63,694 10.619,695 11.614,696 12.609,697 13.608,698 5.5,701 2,705 3,715 12,720 6,722 18,740 1,741 91,743 23,744 3,745 60,747 100,748 41,749 18,750 6,751 12,752 3,756 10,757 14,758 1,764 1,766 1,767 8,768 3,770 9,772 24,773 17,774 3,777 5,782 4,784 1,786 5,793 40,794 9,795 2,796 10,797 1,802 5,808 0.3,809 4,825 4,828 6,829 4,831 2,832 2,841 1,843 2,844 1,849 1,850 1,855 2,859 3,865 1,868 51,876 11,877 2,880 3,881 3,882 3,892 1,893 4.4,896 4,901 24.417,902 16.243,903 10.646,904 6.004,907 2.467,908 1.233,909 1.02,910 7.095,911 13.079,912 4.317,913 4.909,914 5.5,915 6.077,916 6.582,917 6.847,918 7.216,919 7.561,920 7.793,921 8.077,922 1,923 109,924 19.392,926 9.333,927 0.026,929 7.69,931 37.367,933 34.81,936 2.19,937 111.694,941 447.302,942 190.36,943 45.394,944 39.149,945 100.58,948 190.36,949 587.03,950 45.394,952 65.31,953 123.191,954 119.827,955 28.005,957 447.302,958 39.149,959 447.302,960 235.754,961 100.58,962 39.149,964 294.278,965 253.604,968 71.559,969 154.719,970 48.625,972 447.302,973 145.974,974 229.508,977 447.302,978 67.168,979 132.564,980 36.022,981 139.728,982 447.302,983 145.974,984 229.508,986 0.605,987 0.387,988 0.237,989 0.135,990 56,991 23,992 0.03,993 3,994 4,995 1.256,996 5.279,997 697.588,998 0.186,999 46,1000 283.294,1005 31.892,1006 11.346,1007 4.164,1009 145.974,1010 23,1015 4.739,1017 36.022,1018 822.784,1019 74,1024 59.056,1026 1.879,1028 0.135,1031 91.047,1032 101.747,1034 0.237,1035 0.571,1036 0.75,1037 0.868,1038 0.899,1039 0.929,1040 5.665,1041 2.325,1042 6.753,1043 8.02,1044 5.252,1045 5.598,1046 3.386,1047 7.802,1048 5.208,1049 6.895,1050 2.283,1051 8.464,1052 7.555,1053 5.165,1054 5.521,1055 2.78,1056 9.47,1057 5.095,1058 8.263,1059 2.168,1060 10.307,1061 7.27,1062 7.102,1063 7.727,1064 4.348,1065 12.765,1066 7.018,1067 9.673,1068 1.949,1069 12.242,1070 6.693,1071 7.92,1072 8.472,1073 4.447,1074 15.374,1075 7.818,1076 11.13,1077 1.912,1078 14.245,1079 6.094,1080 9.413,1081 10.206,1082 5.581,1083 18.373,1084 9.297,1085 12.62,1086 1.759,1087 16.296,1088 5.567,1089 10.597,1090 11.313,1091 5.988,1092 21.239,1093 10.465,1094 14.139,1095 1.738,1096 18.384,1097 5.275,1098 11.987,1099 12.878,1100 6.924,1101 24.193,1102 11.84,1103 4.123,1104 1.354,1105 20.499,1106 5.242,1107 13.304,1108 14.158,1109 7.482,1110 27.123,1111 13.142,1112 3.875,1113 19.713,1114 22.633,1115 3.673,1116 14.683,1117 15.657,1118 8.318,1119 30.075,1120 14.505,1121 3.134,1122 17.408,1123 24.782,1124 4.397,1125 16.047,1126 17.021,1127 8.954,1128 33.025,1129 15.854,1130 2.767,1131 12.204,1132 26.941,1133 4.253,1134 17.431,1135 18.494,1136 9.738,1137 35.981,1138 17.222,1139 2.74,1140 9.177,1141 29.109,1142 3.808,1143 18.815,1144 19.903,1145 10.416,1146 38.939,1147 18.59,1148 2.648,1149 9.112,1150 31.282,1151 3.607,1152 20.205,1153 21.366,1154 11.173,1155 41.901,1156 19.966,1157 2.6,1158 8.591,1159 33.459,1160 3.336,1161 21.598,1162 22.8,1163 11.873,1164 44.864,1165 21.342,1166 40771,1167 62880,1168 40.857,1169 62.41,1170 95.778,1171 98.955,1172 100.47,1173 94.773,1174 94.661,1175 113.141,1176 21.804,1177 312.337,1178 92.533,1179 6.185,1180 6.571,1181 8.767,1182 6.172,1183 6.123,1184 7.397,1185 3.624,1186 29.704,1187 6.064,1188 21.65,1189 1.596,1190 1.649,1191 1.675,1192 1.58,1193 1.578,1194 1.886,1195 0.363,1196 5.206,1197 1.542,1198 4.171,1199 4.205,1200 4.126,1201 4.068,1202 7.435,1203 4.076,1204 4.083,1205 4.118,1206 4.036,1207 3.985,1208 7.427,1209 3.992,1210 3.931,1211 3.955,1212 3.988,1213 3.878,1214 7.425,1215 3.872,1216 3.834,1217 3.874,1218 3.791,1219 3.742,1220 7.422,1221 3.74,1222 3.819,1223 3.865,1224 3.724,1225 3.718,1226 4.949,1227 3.713,1228 3.735,1229 3.785,1230 3.659,1231 3.588,1232 4.783,1233 3.592,1234 3.543,1235 3.585,1236 3.472,1237 3.409,1238 4.752,1239 3.405,1240 3.402,1241 3.441,1242 3.361,1243 3.267,1244 4.449,1245 3.266,1246 0.086,1247 0.076,1248 0.151,1249 0.085,1250 0.069,1251 5.185,1252 0.073,1253 4.571,1254 0.035,1255 9.087,1256 0.329,1257 5.108,1258 0.068,1259 4.123,1260 4.397,1261 2.086,1262 19.713,1263 4.064,1264 1.966,1265 1.945,1266 2.06,1267 2.068,1268 1.42,1269 2.066,1270 1.902,1271 1.878,1272 2.009,1273 1.979,1274 1.375,1275 1.99,1276 1.892,1277 1.87,1278 1.99,1279 1.962,1280 1.217,1281 1.975,1282 1.796,1283 1.764,1284 1.936,1285 1.917,1286 1.196,1287 1.925,1288 1.713,1289 1.671,1290 1.914,1291 1.854,1292 1.14,1293 1.874,1294 1.595,1295 1.535,1296 1.835,1297 1.761,1298 1.101,1299 1.793,1300 1.544,1301 1.495,1302 1.768,1303 1.744,1304 1.083,1305 1.73,1306 1.507,1307 1.454,1308 1.698,1309 1.739,1310 0.997,1311 1.723,1312 4.796,1314 6.217,1315 4.111,1316 7.849,1317 6.648,1318 9.593,1319 8.909,1320 11.407,1323 6.234,1328 7.128,1329 6.318,1332 0.048,1333 6.483,1334 -3.326,1340 59.276,1341 140.063,1342 337.968,1343 443.906,1344 514.209,1345 532.209,1346 550.209,1347 123.928,1348 10.612,1349 102.06,1350 102.06,1351 54,1352 14.068,1353 4.585,1354 3.907,1355 59.951,1356 235,1357 272,1358 0.121,1359 347.428,1360 629.97,1361 839.485,1362 769207,1363 1.1,1364 34.7,1365 0.68,1366 0.571,1367 35.2,1368 29.124,1369 24.768,1370 0.413,1371 0.313,1372 18.272,1373 23.811,1374 17.921,1375 14.529,1376 25.056,1377 18.791,1378 23.72,1379 0.25,1380 0.17,1381 24.128,1382 16.115,1383 22.456,1384 0.149,1385 0.091,1386 22.745,1387 13.673,1388 21.214,1389 0.09,1390 0.05,1391 21.381,1392 11.77,1393 18.369,1394 0.057,1395 0.027,1396 18.604,1397 8.923,1398 0.184,1399 156.513,1400 0.156,1401 41.801,1402 0.355,1403 310,1404 752.747,1405 346.95,1406 760.689,1407 1051.97,1408 712,1409 401,1410 771.07,1411 436.214,1412 789.534,1413 1200.37,1414 750,1415 5.101}
{0 CHEMBL2332542,1 1.485,2 12.231,3 3.594,4 12.915,5 195.924,6 7.346,7 0.295,8 4.671,9 4.785,10 4.246,11 4.248,12 5.684,13 4.225,14 5.299,15 5.459,16 4.719,17 4.753,18 6.248,19 4.712,20 5.657,21 5.85,22 4.908,23 4.992,24 6.615,25 4.93,26 5.83,27 6.026,28 5.022,29 5.1,30 6.861,31 5.04,32 5.925,33 6.123,34 5.055,35 5.145,36 7.059,37 5.08,38 5.967,39 6.19,40 4.975,41 5.134,42 7.076,43 5.041,44 5.908,45 6.139,46 4.896,47 5.089,48 6.928,49 4.989,50 5.874,51 6.096,52 4.889,53 5.08,54 6.866,55 4.986,56 0.023,57 1.399,58 19.798,59 9.108,60 11.412,61 11.851,62 0.36,63 2.537,64 40.403,65 16.351,66 45.411,67 22.006,68 0.541,69 3.446,70 61.178,71 23.764,72 74.762,73 32.114,74 0.762,75 3.957,76 74.708,77 27.714,78 121.697,79 36.915,80 1.111,81 4.278,82 83.458,83 29.912,84 186.656,85 39.511,86 1.482,87 4.325,88 90.096,89 31.992,90 238.34,91 43.21,92 0.961,93 4.098,94 84.462,95 30.884,96 177.132,97 42.079,98 1.066,99 3.945,100 81.597,101 29.924,102 170.983,103 40.031,104 27,105 96,106 0.216,107 0.537,108 0.715,109 0.829,110 0.868,111 0.895,112 3.974,113 0.927,114 -4.26,115 -4.2,116 -3.96,121 44.2,123 7,124 1,125 1,126 1,127 4,129 2,132 2,137 1,138 1,144 12,145 3,146 3,158 1,160 3,176 19,179 1,180 18,183 2,185 4,187 20,191 2,192 16,195 2,197 6,200 20,205 3,206 22,211 5,214 22,218 4,219 22,222 2,224 5,227 23,231 6,232 21,235 2,237 1,239 26,243 1,244 21,247 1,249 2,251 23,255 2,256 19,261 4,264 25,268 3,269 15,272 1,274 5,277 31,281 5900,282 35.941,283 35.941,284 35.941,285 35.941,286 35.941,287 33.139,288 50.201,289 20.237,290 36.406,291 29.999,292 29.999,293 29.999,294 29.999,295 29.999,296 25.569,297 72.307,298 9.334,299 30.655,300 5.084,301 2.871,302 1.648,303 0.866,304 0.597,305 0.408,306 4.708,312 1,313 1468,314 4.796,317 609.754,318 519.953,320 358.211,321 326.804,325 1.453,326 71.09,329 0.75,330 0.5,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.73,337 111.5,338 636,339 5.185,340 4.571,341 9.087,342 5.108,343 4.123,344 4.398,345 2.086,346 19.713,347 4.064,348 4.961,349 4.379,350 8.511,351 4.851,352 3.875,353 4.253,354 2.086,355 17.408,356 3.782,357 4.387,358 3.846,359 7.302,360 4.13,361 3.138,362 3.913,363 1.943,364 12.205,365 3.112,366 4.193,367 3.672,368 6.289,369 3.821,370 2.846,371 3.676,372 1.277,373 9.225,374 2.774,375 3.992,376 3.176,377 6.277,378 3.739,379 2.765,380 3.336,381 0.942,382 9.171,383 2.692,384 3.927,385 3.168,386 6.182,387 3.687,388 2.725,389 3.23,390 0.942,391 9.031,392 2.618,393 3.814,394 3.037,395 6.059,396 3.588,397 2.614,398 3.017,399 0.86,400 8.575,401 2.538,402 3.518,403 2.798,404 5.89,405 3.299,406 2.312,407 2.64,408 0.736,409 7.632,410 2.277,411 3.503,412 2.798,413 5.851,414 3.267,415 2.278,416 2.617,417 0.357,418 7.505,419 2.249,420 3.461,421 2.589,422 5.699,423 3.131,424 2.131,425 2.573,426 0.357,427 7.109,428 2.125,429 3.146,430 2.466,431 5.441,432 2.927,433 1.932,434 2.221,435 0.079,436 6.094,437 1.912,438 3.043,439 2.372,440 5.153,441 2.748,442 1.763,443 2.154,444 0.047,445 5.276,446 1.724,447 2.917,448 2.203,449 5.085,450 2.716,451 1.738,452 2.087,453 0.047,454 5.242,455 1.69,456 2.903,457 1.942,458 4.558,459 2.501,460 1.547,461 1.97,463 4.144,464 1.47,465 2.85,466 1.903,467 4.489,468 2.437,469 1.437,470 1.97,472 3.671,473 1.431,474 24.667,475 0.474,476 1.451,477 0.028,478 62.25,479 1.197,480 27,481 0.519,482 35.25,483 0.678,484 68.055,485 1.309,486 55.133,487 0.58,488 63.122,489 1.214,490 11.343,491 0.218,492 13.979,493 0.269,494 0.074,495 0.061,496 0.332,501 0.676,502 1.268,503 0.761,504 1.045,505 0.494,506 0.931,507 0.753,508 1.138,509 0.845,510 0.961,511 0.518,512 0.916,513 0.876,514 1.071,515 0.919,516 1.019,517 0.831,518 0.976,519 1.171,520 1.091,521 0.985,522 1.022,523 1.255,524 0.981,525 1.314,526 1.094,527 1.098,528 1.072,529 1.514,530 1.055,531 1.159,532 0.97,533 1.058,534 0.983,535 1.329,536 1.003,537 1.081,538 0.987,539 1.015,540 1,541 1.163,542 0.997,543 1.231,544 0.93,545 1.048,546 0.943,547 1.283,548 0.967,549 11.5,550 0.901,551 9.111,552 7.535,553 4.836,554 3.016,555 2.116,556 1.23,557 1.224,558 0.954,559 47843,560 107013,561 2.223,562 45.3,564 26,567 2,568 2,569 13,572 1.872,573 2.087,574 3.507,575 0.031,582 141.11,583 1.485,584 3.699,585 4.922,586 5.704,587 5.972,588 6.162,589 2.752,590 5.624,591 5.676,592 3.718,593 4929.91,594 10.175,595 93507.4,600 624.136,601 1.581,602 5.629,603 0.189,604 0.008,605 0.095,606 0.067,607 0.039,608 0.025,609 0.019,610 0.012,611 0.012,612 0.008,613 0.472,614 0.17,615 0.63,616 0.544,617 304.237,618 -0.02,619 -0.101,620 0.074,621 0.003,622 0.002,623 0.043,624 0.034,625 -0.003,626 0.051,627 0.044,628 0.024,629 0.048,630 0.012,631 -0.003,632 0.023,633 -0.024,634 -0.001,635 -0.002,636 -0.058,637 -0.053,638 -0.009,639 -0.037,640 -0.065,641 -0.019,642 -0.05,643 -0.063,644 -0.1,645 -0.1,646 -0.045,647 -0.106,648 0.042,649 0.015,650 -0.043,651 -0.008,652 0.035,653 -0.034,654 -0.038,655 -0.008,656 -0.015,657 -0.014,658 -0.003,659 -0.009,660 -0.092,661 0.046,662 -0.045,663 0.047,664 -0.093,665 0.015,666 2.498,667 8.417,668 0.827,669 53.598,670 0.999,671 1.12,672 3.029,673 9.174,674 0.671,675 4.127,676 4.575,677 5.043,678 5.485,679 5.796,680 6.038,681 6.28,682 6.461,683 6.636,684 6.819,685 7.752,686 0.639,687 697.9,688 4.127,689 5.753,690 6.703,691 7.678,692 8.656,693 9.644,694 10.633,695 11.627,696 12.622,697 13.62,698 5.3,701 2,705 3,715 12,720 6,722 18,739 1,741 95,743 23,744 3,745 61,747 104,748 42,749 18,750 6,751 12,752 3,756 10,757 14,764 1,766 1,767 8,768 3,770 9,772 24,773 18,774 3,777 5,782 4,784 1,786 5,793 43,794 10,795 2,796 10,802 5,808 0.3,809 5,825 4,828 6,829 4,831 2,832 2,841 1,843 2,844 1,849 1,850 1,855 2,859 3,864 1,868 52,876 11,877 2,878 1,880 3,881 3,882 3,893 5.3,896 4,898 1,901 24.917,902 17.267,903 11.007,904 6.183,907 2.516,908 1.237,909 1.012,910 7.306,911 13.152,912 4.331,913 4.916,914 5.518,915 6.097,916 6.594,917 6.862,918 7.233,919 7.567,920 7.814,921 8.105,922 0.875,923 112,924 19.774,926 9.453,927 0.026,929 7.675,931 38.115,933 35.225,936 2.175,937 113.083,941 482.615,942 202.985,943 45.394,945 111.58,948 202.985,949 594.195,950 45.394,951 10.883,952 65.31,953 123.191,954 119.827,955 40.748,957 482.615,959 482.615,960 248.38,961 111.58,964 329.591,965 264.604,968 71.559,969 167.345,970 9.476,972 482.615,973 156.974,974 202.985,977 482.615,978 68.911,979 143.447,980 36.022,981 111.58,982 482.615,983 156.974,984 202.985,986 0.6,987 0.392,988 0.241,989 0.134,990 56,991 23,992 0.038,993 4,994 4,995 1.256,996 5.306,997 717.263,998 0.186,999 46,1000 292.423,1005 32.515,1006 11.684,1007 4.203,1009 156.974,1010 23.24,1015 4.7,1017 36.022,1018 842.575,1019 75,1024 59.337,1026 1.867,1028 0.09,1031 94.934,1032 106.427,1034 0.226,1035 0.563,1036 0.749,1037 0.868,1038 0.909,1039 0.938,1040 5.675,1041 2.312,1042 6.765,1043 8.575,1044 5.263,1045 5.606,1046 3.435,1047 7.816,1048 5.223,1049 6.902,1050 2.278,1051 8.477,1052 7.632,1053 5.165,1054 5.521,1055 2.78,1056 9.483,1057 5.109,1058 8.27,1059 2.131,1060 10.321,1061 7.505,1062 7.114,1063 7.738,1064 4.362,1065 12.777,1066 7.035,1067 9.681,1068 1.932,1069 12.257,1070 7.109,1071 7.931,1072 8.49,1073 4.447,1074 15.38,1075 7.835,1076 11.14,1077 1.763,1078 14.259,1079 6.094,1080 9.426,1081 10.227,1082 5.584,1083 18.378,1084 9.312,1085 12.632,1086 1.738,1087 16.309,1088 5.276,1089 10.608,1090 11.345,1091 5.988,1092 21.241,1093 10.479,1094 14.153,1095 1.547,1096 18.396,1097 5.242,1098 11.998,1099 12.911,1100 6.925,1101 24.194,1102 11.851,1103 4.123,1104 1.437,1105 20.508,1106 4.144,1107 13.313,1108 14.198,1109 7.482,1110 27.124,1111 13.151,1112 3.875,1113 19.713,1114 22.641,1115 3.671,1116 14.69,1117 15.696,1118 8.318,1119 30.076,1120 14.512,1121 3.138,1122 17.408,1123 24.788,1124 4.398,1125 16.053,1126 17.065,1127 8.954,1128 33.025,1129 15.859,1130 2.846,1131 12.205,1132 26.946,1133 4.253,1134 17.436,1135 18.536,1136 9.738,1137 35.982,1138 17.226,1139 2.765,1140 9.225,1141 29.112,1142 3.913,1143 18.818,1144 19.946,1145 10.416,1146 38.939,1147 18.593,1148 2.725,1149 9.171,1150 31.284,1151 3.676,1152 20.208,1153 21.408,1154 11.173,1155 41.901,1156 19.968,1157 2.614,1158 9.031,1159 33.461,1160 3.336,1161 21.599,1162 22.841,1163 11.873,1164 44.864,1165 21.344,1166 42379,1167 63533,1168 41.55,1169 63.768,1170 96.888,1171 100.069,1172 102.342,1173 95.766,1174 95.816,1175 114.288,1176 23.524,1177 315.631,1178 94.024,1179 6.185,1180 6.571,1181 8.782,1182 6.172,1183 6.123,1184 7.398,1185 3.624,1186 29.705,1187 6.064,1188 21.788,1189 1.588,1190 1.64,1191 1.678,1192 1.57,1193 1.571,1194 1.874,1195 0.386,1196 5.174,1197 1.541,1198 4.172,1199 4.206,1200 4.122,1201 4.068,1202 7.435,1203 4.076,1204 4.083,1205 4.118,1206 4.036,1207 3.985,1208 7.427,1209 3.992,1210 3.937,1211 3.959,1212 3.886,1213 3.868,1214 7.425,1215 3.869,1216 3.836,1217 3.875,1218 3.763,1219 3.74,1220 7.422,1221 3.739,1222 3.819,1223 3.865,1224 3.724,1225 3.718,1226 4.88,1227 3.713,1228 3.736,1229 3.787,1230 3.639,1231 3.585,1232 4.779,1233 3.59,1234 3.543,1235 3.586,1236 3.439,1237 3.408,1238 4.752,1239 3.404,1240 3.401,1241 3.441,1242 3.318,1243 3.263,1244 4.414,1245 3.263,1246 0.085,1247 0.075,1248 0.149,1249 0.084,1250 0.068,1251 5.185,1252 0.072,1253 4.571,1254 0.034,1255 9.087,1256 0.323,1257 5.108,1258 0.067,1259 4.123,1260 4.398,1261 2.086,1262 19.713,1263 4.064,1264 1.965,1265 1.945,1266 2.061,1267 2.071,1268 1.42,1269 2.067,1270 1.902,1271 1.878,1272 2.01,1273 1.982,1274 1.375,1275 1.991,1276 1.892,1277 1.87,1278 1.995,1279 1.971,1280 1.217,1281 1.98,1282 1.797,1283 1.764,1284 1.94,1285 1.926,1286 1.196,1287 1.93,1288 1.714,1289 1.671,1290 1.916,1291 1.855,1292 1.141,1293 1.875,1294 1.595,1295 1.535,1296 1.838,1297 1.762,1298 1.101,1299 1.794,1300 1.544,1301 1.495,1302 1.769,1303 1.744,1304 1.085,1305 1.73,1306 1.507,1307 1.454,1308 1.698,1309 1.739,1310 0.998,1311 1.723,1312 4.812,1314 6.229,1315 4.111,1316 7.861,1317 6.648,1318 9.607,1319 8.909,1320 11.421,1322 1.609,1328 7.064,1329 6.329,1330 5.697,1332 0.029,1333 6.484,1334 -3.363,1340 60.69,1341 141.11,1342 351.386,1343 467.568,1344 541.872,1345 567.381,1346 585.381,1347 126.753,1348 10.636,1349 111.29,1350 111.29,1351 54,1352 14.081,1353 4.585,1354 3.907,1355 61.603,1356 240,1357 243,1358 0.122,1359 352.684,1360 640.85,1361 852.309,1362 787742,1364 35.407,1365 0.681,1366 0.565,1367 35.407,1368 29.399,1369 25.323,1370 0.415,1371 0.309,1372 18.63,1373 24.521,1374 18.272,1375 14.864,1376 25.323,1377 18.843,1378 23.807,1379 0.248,1380 0.165,1381 23.807,1382 15.869,1383 22.881,1384 0.149,1385 0.089,1386 22.881,1387 13.679,1388 21.742,1389 0.091,1390 0.049,1391 21.742,1392 11.857,1393 18.532,1394 0.057,1395 0.027,1396 18.532,1397 8.877,1398 0.185,1399 157.782,1400 0.155,1401 42.36,1402 0.358,1403 314,1404 774.279,1405 338.309,1406 744.744,1407 1041.55,1408 700,1409 407,1410 785.753,1411 435.445,1412 794.366,1413 1207.73,1414 753,1415 4.943}
{0 CHEMBL2332543,1 1.454,2 12.176,3 4.096,4 16.78,5 194.502,6 7.254,7 0.3,8 4.656,9 4.773,10 4.222,11 4.249,12 5.651,13 4.218,14 5.286,15 5.449,16 4.703,17 4.759,18 6.22,19 4.71,20 5.656,21 5.852,22 4.887,23 4.999,24 6.599,25 4.928,26 5.829,27 6.032,28 4.998,29 5.1,30 6.847,31 5.031,32 5.917,33 6.12,34 5.035,35 5.133,36 7.041,37 5.064,38 5.941,39 6.162,40 4.952,41 5.123,42 7.046,43 5.029,44 5.908,45 6.145,46 4.861,47 5.088,48 6.919,49 4.98,50 5.842,51 6.065,52 4.841,53 5.085,54 6.802,55 4.977,56 0.042,57 1.383,58 19.817,59 9.023,60 11.01,61 11.959,62 0.333,63 2.53,64 40.052,65 16.365,66 40.922,67 22.446,68 0.552,69 3.461,70 61.471,71 23.96,72 71.145,73 32.715,74 0.745,75 3.976,76 75.233,77 28.025,78 117.551,79 37.782,80 1.14,81 4.249,82 83.691,83 29.776,84 183.614,85 39.634,86 1.279,87 4.268,88 87.337,89 31.368,90 221.547,91 42.365,92 1.051,93 4.117,94 85.271,95 30.913,96 182.789,97 42.27,98 0.73,99 3.907,100 77.784,101 29.957,102 141.349,103 40.585,104 26,105 95,106 0.212,107 0.527,108 0.707,109 0.818,110 0.862,111 0.894,112 3.955,113 0.937,114 -4.72,115 -4.64,116 -4.36,121 44.7,122 1,123 7,124 1,125 1,127 4,129 2,132 2,137 1,138 1,144 12,145 4,146 2,158 1,160 3,176 22,179 1,180 16,183 2,185 4,187 25,191 2,192 13,195 2,197 6,200 25,205 3,206 20,211 5,214 24,218 4,219 24,222 2,224 5,227 24,231 4,232 22,235 2,237 1,239 28,243 1,244 22,247 1,249 2,251 26,256 20,261 5,264 30,268 2,269 13,274 6,277 38,281 5557,282 35.07,283 35.07,284 35.07,285 35.07,286 35.07,287 32.217,288 48.313,289 19.717,290 35.364,291 29.562,292 29.562,293 29.562,294 29.562,295 29.562,296 25.142,297 69.127,298 9.185,299 30.037,300 5.1,301 2.931,302 1.695,303 0.934,304 0.633,305 0.412,306 4.69,312 1,313 1439,314 4.69,317 595.313,318 507.566,320 349.74,321 319.374,325 1.428,326 66.701,329 0.75,330 0.5,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.73,337 108.5,338 621,339 5.185,340 4.571,341 9.087,342 5.108,343 4.123,344 4.398,345 2.086,346 19.713,347 4.064,348 4.961,349 4.379,350 8.511,351 4.851,352 3.875,353 4.253,354 2.086,355 17.408,356 3.782,357 4.384,358 3.846,359 7.302,360 4.13,361 3.137,362 3.897,363 1.943,364 12.205,365 3.113,366 4.171,367 3.672,368 6.289,369 3.809,370 2.812,371 3.669,372 1.277,373 9.179,374 2.804,375 3.992,376 3.176,377 6.276,378 3.739,379 2.765,380 3.336,381 0.942,382 9.132,383 2.693,384 3.925,385 3.166,386 6.117,387 3.686,388 2.721,389 3.227,390 0.942,391 8.784,392 2.621,393 3.812,394 2.903,395 6.043,396 3.588,397 2.613,398 3.016,399 0.736,400 8.558,401 2.539,402 3.516,403 2.798,404 5.879,405 3.296,406 2.307,407 2.638,408 0.357,409 7.597,410 2.279,411 3.503,412 2.798,413 5.848,414 3.267,415 2.275,416 2.617,417 0.357,418 7.468,419 2.249,420 3.456,421 2.577,422 5.684,423 3.128,424 2.125,425 2.57,426 0.079,427 7.066,428 2.127,429 3.146,430 2.455,431 5.441,432 2.927,433 1.932,434 2.221,435 0.047,436 6.094,437 1.912,438 3.043,439 2.37,440 5.153,441 2.747,442 1.763,443 2.154,444 0.047,445 5.276,446 1.724,447 2.903,448 2.198,449 5.085,450 2.716,451 1.738,452 2.038,454 5.242,455 1.69,456 2.878,457 1.931,458 4.54,459 2.455,460 1.45,461 1.97,463 3.826,464 1.456,465 2.839,466 1.771,467 4.482,468 2.414,469 1.414,470 1.97,472 3.666,473 1.414,474 24.333,475 0.477,476 1.489,477 0.029,478 60.75,479 1.191,480 26.5,481 0.52,482 34.25,483 0.672,484 67.537,485 1.324,486 53.667,487 0.571,488 60.167,489 1.18,490 10.9,491 0.214,492 13.885,493 0.272,494 0.075,495 0.062,496 0.337,501 0.642,502 1.24,503 0.773,504 1.018,505 0.488,506 0.924,507 0.644,508 1.149,509 0.835,510 0.977,511 0.488,512 0.929,513 0.891,514 1.069,515 0.938,516 1.023,517 0.829,518 0.987,519 1.204,520 1.096,521 0.988,522 1.032,523 1.248,524 0.989,525 1.441,526 1.061,527 1.084,528 1.034,529 1.525,530 1.016,531 1.304,532 1.004,533 1.085,534 1.009,535 1.374,536 1.019,537 1.234,538 0.924,539 1.045,540 0.942,541 1.237,542 0.964,543 1.155,544 1.004,545 1.06,546 1.022,547 1.196,548 1.031,549 11.5,550 0.873,551 9.111,552 7.535,553 4.796,554 2.954,555 2.076,556 1.214,557 1.179,558 0.909,559 45762,560 98242,561 2.228,562 45.7,563 3,564 23,567 2,568 2,569 13,572 1.867,573 2.089,574 3.495,575 0.02,582 136.715,583 1.454,584 3.624,585 4.86,586 5.621,587 5.922,588 6.142,589 2.73,590 5.516,591 5.649,592 3.704,593 4722.32,594 10.117,595 88220,600 616.131,601 1.593,602 5.6,603 0.192,604 0.008,605 0.096,606 0.068,607 0.04,608 0.024,609 0.019,610 0.012,611 0.012,612 0.008,613 0.479,614 0.33,615 0.75,616 0.44,617 296.713,618 -0.015,619 -0.08,620 0.074,621 0.022,622 -0.002,623 0.052,624 0.083,625 -0.016,626 0.064,627 0.026,628 0.034,629 0.039,630 0.026,631 -0.006,632 0.011,633 -0.031,634 -0.005,635 -0.014,636 -0.033,637 -0.065,638 -0.002,639 -0.051,640 -0.059,641 -0.027,642 -0.032,643 -0.037,644 -0.068,645 -0.068,646 -0.032,647 -0.072,648 0.005,649 -0.013,650 -0.066,651 -0.036,652 0.026,653 -0.056,654 -0.069,655 0.053,656 -0.032,657 0.037,658 -0.02,659 0.015,660 -0.117,661 -0.026,662 -0.075,663 -0.02,664 -0.086,665 -0.04,666 2.465,667 8.37,668 0.843,669 51.569,670 0.996,671 1.119,672 3.492,673 12.192,674 0.674,675 4.111,676 4.564,677 5.03,678 5.472,679 5.787,680 6.028,681 6.271,682 6.452,683 6.624,684 6.801,685 7.657,686 0.638,687 681.9,688 4.111,689 5.74,690 6.691,691 7.667,692 8.645,693 9.634,694 10.624,695 11.619,696 12.614,697 13.613,698 5.3,701 2,705 3,715 12,720 6,722 18,741 94,743 23,744 3,745 60,747 103,748 42,749 18,750 6,751 12,752 3,756 10,757 14,763 1,764 1,766 1,767 8,768 3,770 9,772 24,773 18,774 3,777 5,782 4,784 1,786 5,793 43,794 9,795 2,796 9,802 5,808 0.3,809 4,825 4,828 6,829 4,831 2,832 2,841 1,843 2,844 1,849 1,850 1,855 2,859 3,864 1,868 51,876 11,877 2,880 3,881 3,882 3,893 4.3,896 4,901 24.417,902 17.1,903 10.674,904 6.225,907 2.483,908 1.234,909 1.018,910 6.948,911 13.094,912 4.317,913 4.909,914 5.506,915 6.084,916 6.581,917 6.845,918 7.213,919 7.555,920 7.797,921 8.081,922 0.875,923 110,924 19.406,926 9.305,927 0.026,929 7.649,931 37.581,933 34.98,936 2.149,937 109.583,941 482.615,942 198.87,943 45.394,945 100.58,948 198.87,949 583.195,950 45.394,951 8.825,952 65.31,953 123.191,954 119.827,955 27.69,957 482.615,959 482.615,960 244.264,961 100.58,964 329.591,965 253.604,968 80.384,969 154.404,970 9.476,972 482.615,973 145.974,974 198.87,977 482.615,978 66.853,979 141.389,980 36.022,981 100.58,982 482.615,983 145.974,984 198.87,986 0.604,987 0.391,988 0.239,989 0.134,990 56,991 23,992 0.029,993 3,994 4,995 1.256,996 5.254,997 700.406,998 0.186,999 46,1000 285.294,1005 31.629,1006 11.203,1007 4.046,1009 145.974,1010 23.735,1015 5.362,1017 36.022,1018 827.459,1019 74,1024 59.215,1026 1.961,1028 0.27,1031 93.607,1032 105.218,1034 0.222,1035 0.553,1036 0.741,1037 0.858,1038 0.903,1039 0.937,1040 5.665,1041 2.307,1042 6.756,1043 8.558,1044 5.252,1045 5.598,1046 3.386,1047 7.808,1048 5.221,1049 6.895,1050 2.275,1051 8.469,1052 7.597,1053 5.165,1054 5.521,1055 2.78,1056 9.477,1057 5.117,1058 8.264,1059 2.125,1060 10.315,1061 7.468,1062 7.106,1063 7.731,1064 4.348,1065 12.772,1066 7.036,1067 9.676,1068 1.932,1069 12.252,1070 7.066,1071 7.927,1072 8.486,1073 4.447,1074 15.378,1075 7.84,1076 11.135,1077 1.763,1078 14.254,1079 6.094,1080 9.421,1081 10.221,1082 5.581,1083 18.376,1084 9.315,1085 12.627,1086 1.738,1087 16.305,1088 5.276,1089 10.605,1090 11.339,1091 5.988,1092 21.24,1093 10.482,1094 14.148,1095 1.45,1096 18.392,1097 5.242,1098 11.995,1099 12.905,1100 6.924,1101 24.194,1102 11.854,1103 4.123,1104 1.414,1105 20.506,1106 3.826,1107 13.311,1108 14.191,1109 7.482,1110 27.124,1111 13.153,1112 3.875,1113 19.713,1114 22.639,1115 3.666,1116 14.688,1117 15.689,1118 8.318,1119 30.076,1120 14.514,1121 3.137,1122 17.408,1123 24.786,1124 4.398,1125 16.052,1126 17.058,1127 8.954,1128 33.025,1129 15.861,1130 2.812,1131 12.205,1132 26.944,1133 4.253,1134 17.435,1135 18.529,1136 9.738,1137 35.981,1138 17.228,1139 2.765,1140 9.179,1141 29.111,1142 3.897,1143 18.817,1144 19.939,1145 10.416,1146 38.939,1147 18.594,1148 2.721,1149 9.132,1150 31.283,1151 3.669,1152 20.207,1153 21.401,1154 11.173,1155 41.901,1156 19.969,1157 2.613,1158 8.784,1159 33.46,1160 3.336,1161 21.599,1162 22.834,1163 11.873,1164 44.864,1165 21.345,1166 40384,1167 59331,1168 40.857,1169 63.313,1170 95.744,1171 98.626,1172 100.665,1173 94.652,1174 94.665,1175 113.15,1176 21.804,1177 312.766,1178 93.36,1179 6.185,1180 6.571,1181 8.775,1182 6.172,1183 6.123,1184 7.398,1185 3.624,1186 29.705,1187 6.064,1188 21.41,1189 1.596,1190 1.644,1191 1.678,1192 1.578,1193 1.578,1194 1.886,1195 0.363,1196 5.213,1197 1.556,1198 4.172,1199 4.206,1200 4.122,1201 4.07,1202 7.435,1203 4.078,1204 4.083,1205 4.118,1206 4.036,1207 3.985,1208 7.427,1209 3.992,1210 3.946,1211 3.973,1212 3.889,1213 3.891,1214 7.425,1215 3.887,1216 3.838,1217 3.878,1218 3.764,1219 3.743,1220 7.422,1221 3.742,1222 3.819,1223 3.866,1224 3.724,1225 3.718,1226 4.801,1227 3.713,1228 3.738,1229 3.79,1230 3.639,1231 3.588,1232 4.753,1233 3.592,1234 3.543,1235 3.586,1236 3.439,1237 3.409,1238 4.747,1239 3.404,1240 3.401,1241 3.441,1242 3.318,1243 3.263,1244 4.395,1245 3.263,1246 0.086,1247 0.076,1248 0.151,1249 0.085,1250 0.069,1251 5.185,1252 0.073,1253 4.571,1254 0.035,1255 9.087,1256 0.329,1257 5.108,1258 0.068,1259 4.123,1260 4.398,1261 2.086,1262 19.713,1263 4.064,1264 1.978,1265 1.956,1266 2.082,1267 2.075,1268 1.421,1269 2.075,1270 1.906,1271 1.882,1272 2.017,1273 1.987,1274 1.375,1275 1.999,1276 1.899,1277 1.876,1278 2.004,1279 1.975,1280 1.221,1281 1.986,1282 1.803,1283 1.77,1284 1.946,1285 1.929,1286 1.197,1287 1.936,1288 1.714,1289 1.671,1290 1.916,1291 1.855,1292 1.17,1293 1.875,1294 1.596,1295 1.536,1296 1.84,1297 1.762,1298 1.113,1299 1.794,1300 1.544,1301 1.495,1302 1.769,1303 1.744,1304 1.097,1305 1.73,1306 1.507,1307 1.454,1308 1.698,1309 1.739,1310 1.003,1311 1.723,1312 4.796,1314 6.217,1315 4.111,1316 7.851,1317 6.648,1318 9.598,1319 8.909,1320 11.413,1322 2.03,1328 7.301,1329 6.347,1332 0.089,1333 6.544,1334 -3.271,1340 59.975,1341 136.715,1342 340.626,1343 456.808,1344 528.357,1345 556.622,1346 577.376,1347 122.385,1348 10.612,1349 102.06,1350 102.06,1351 54,1352 14.074,1353 4.585,1354 3.907,1355 59.93,1356 233,1357 235,1358 0.123,1359 348.688,1360 632.06,1361 842.558,1362 769207,1364 34.7,1365 0.68,1366 0.568,1367 34.7,1368 28.99,1369 24.785,1370 0.413,1371 0.312,1372 18.559,1373 24.136,1374 18.174,1375 14.79,1376 24.785,1377 18.73,1378 23.616,1379 0.249,1380 0.168,1381 23.616,1382 15.983,1383 22.579,1384 0.149,1385 0.09,1386 22.579,1387 13.728,1388 21.353,1389 0.09,1390 0.05,1391 21.353,1392 11.82,1393 18.302,1394 0.056,1395 0.027,1396 18.302,1397 8.887,1398 0.186,1399 153.438,1400 0.156,1401 41.721,1402 0.36,1403 310,1404 726.543,1405 331.43,1406 707.177,1407 993.65,1408 664,1409 402,1410 755.207,1411 427.455,1412 765.294,1413 1165.25,1414 727,1415 4.561}
{0 CHEMBL2332544,1 1.465,2 12.14,3 3.61,4 13.033,5 189.461,6 7.339,7 0.305,8 4.628,9 4.743,10 4.204,11 4.223,12 5.629,13 4.195,14 5.257,15 5.416,16 4.684,17 4.734,18 6.201,19 4.688,20 5.635,21 5.834,22 4.862,23 4.969,24 6.578,25 4.899,26 5.795,27 5.998,28 4.979,29 5.064,30 6.818,31 5,32 5.879,33 6.076,34 5.019,35 5.102,36 7.024,37 5.039,38 5.918,39 6.14,40 4.924,41 5.096,42 7.026,43 5.002,44 5.865,45 6.1,46 4.824,47 5.052,48 6.883,49 4.943,50 5.807,51 6.037,52 4.782,53 5.03,54 6.768,55 4.92,56 0.035,57 1.342,58 18.861,59 8.664,60 10.466,61 11.389,62 0.314,63 2.462,64 38.173,65 15.735,66 40.579,67 21.396,68 0.545,69 3.383,70 59.975,71 23.328,72 72.699,73 31.727,74 0.733,75 3.844,76 72.404,77 26.883,78 116.918,79 35.977,80 1.106,81 4.11,82 79.656,83 28.437,84 183.339,85 37.348,86 1.296,87 4.171,88 85.353,89 30.576,90 223.947,91 41.019,92 0.952,93 3.961,94 81.055,95 29.912,96 174.039,97 40.737,98 0.765,99 3.751,100 75.753,101 28.774,102 147.667,103 38.895,104 17,105 93,106 0.214,107 0.527,108 0.69,109 0.811,110 0.856,111 0.885,112 3.936,113 0.931,114 -4.55,115 -4.48,116 -4.22,121 45.1,123 7,124 1,125 1,127 4,129 2,132 2,137 1,138 1,144 13,145 3,146 2,158 1,160 3,176 21,179 1,180 16,183 2,185 4,187 23,191 2,192 13,195 2,197 6,200 22,205 3,206 20,211 5,214 22,218 4,219 24,222 2,224 5,227 24,231 4,232 20,235 2,237 1,239 27,243 1,244 22,247 1,249 2,251 25,256 18,261 5,264 28,268 2,269 12,274 5,277 35,281 5252,282 34.57,283 34.57,284 34.57,285 34.57,286 34.57,287 31.769,288 45.888,289 19.575,290 34.864,291 29.101,292 29.101,293 29.101,294 29.101,295 29.101,296 24.755,297 67.656,298 9.155,299 29.576,300 5.043,301 2.907,302 1.792,303 0.963,304 0.659,305 0.462,306 4.673,312 1,313 1412,314 4.637,317 581.615,318 496.009,320 341.677,321 312.343,325 1.42,326 65.985,329 0.75,330 0.5,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.73,337 106.5,338 607,339 5.185,340 4.571,341 9.087,342 5.108,343 4.123,344 4.397,345 2.086,346 19.713,347 4.064,348 4.961,349 4.379,350 8.511,351 4.851,352 3.875,353 4.253,354 2.086,355 17.408,356 3.782,357 4.367,358 3.846,359 7.301,360 4.125,361 3.133,362 3.79,363 1.943,364 12.204,365 3.108,366 4.022,367 3.672,368 6.289,369 3.741,370 2.767,371 3.512,372 1.277,373 9.177,374 2.695,375 3.989,376 3.176,377 6.275,378 3.706,379 2.738,380 3.336,381 0.942,382 9.112,383 2.657,384 3.886,385 3.164,386 6.074,387 3.609,388 2.628,389 3.182,390 0.942,391 8.59,392 2.569,393 3.778,394 2.798,395 5.931,396 3.539,397 2.554,398 3.008,399 0.736,400 8.003,401 2.503,402 3.508,403 2.798,404 5.856,405 3.277,406 2.292,407 2.631,408 0.357,409 7.554,410 2.256,411 3.503,412 2.664,413 5.751,414 3.243,415 2.244,416 2.617,417 0.357,418 7.256,419 2.237,420 3.422,421 2.522,422 5.441,423 3.089,424 2.086,425 2.553,426 0.079,427 6.441,428 2.088,429 3.146,430 2.397,431 5.279,432 2.927,433 1.931,434 2.221,435 0.047,436 6.088,437 1.912,438 3.041,439 2.34,440 5.146,441 2.746,442 1.762,443 2.154,444 0.047,445 5.276,446 1.723,447 2.903,448 2.183,449 5.085,450 2.715,451 1.738,452 1.989,454 5.242,455 1.69,456 2.863,457 1.929,458 4.528,459 2.444,460 1.44,461 1.97,463 3.674,464 1.444,465 2.839,466 1.707,467 4.479,468 2.359,469 1.354,470 1.97,472 3.528,473 1.358,474 23.833,475 0.477,476 1.4,477 0.028,478 60.25,479 1.205,480 26.5,481 0.53,482 33.75,483 0.675,484 63.94,485 1.279,486 52.367,487 0.575,488 59.147,489 1.183,490 10.843,491 0.217,492 13.531,493 0.271,494 0.056,495 0.063,496 0.323,501 0.641,502 1.234,503 0.761,504 1.007,505 0.482,506 0.912,507 0.647,508 1.169,509 0.851,510 0.998,511 0.491,512 0.95,513 0.886,514 1.061,515 0.933,516 1.016,517 0.824,518 0.98,519 1.212,520 1.075,521 0.969,522 1.006,523 1.25,524 0.962,525 1.463,526 1.075,527 1.105,528 1.049,529 1.542,530 1.032,531 1.311,532 0.975,533 1.092,534 0.989,535 1.377,536 1.009,537 1.148,538 0.96,539 1.045,540 0.986,541 1.151,542 1,543 1.172,544 0.955,545 1.05,546 0.976,547 1.21,548 0.998,549 11,550 0.844,551 8.444,552 7.347,553 4.604,554 2.898,555 2.013,556 1.124,557 1.031,558 0.806,559 43921,560 95551,561 2.246,562 45.1,564 24,567 2,568 2,569 13,572 1.862,573 2.12,574 3.494,575 0.027,582 133.28,583 1.465,584 3.601,585 4.716,586 5.545,587 5.848,588 6.046,589 2.733,590 5.389,591 5.62,592 3.7,593 4532.07,594 10.057,595 83483.9,600 592.209,601 1.541,602 5.577,603 0.186,604 0.008,605 0.091,606 0.069,607 0.039,608 0.024,609 0.019,610 0.011,611 0.011,612 0.008,613 0.466,614 0.33,615 0.75,616 0.404,617 289.421,618 -0.018,619 -0.082,620 0.073,621 0.022,622 0.002,623 0.052,624 0.075,625 -0.038,626 0.036,627 -0.002,628 0.03,629 0.008,630 0.026,631 -0.005,632 0.017,633 -0.029,634 -0.005,635 -0.01,636 -0.036,637 -0.048,638 0.018,639 -0.028,640 -0.057,641 -0.003,642 -0.045,643 -0.048,644 -0.093,645 -0.086,646 -0.037,647 -0.094,648 -0.009,649 0.011,650 -0.07,651 -0.016,652 0.013,653 -0.046,654 -0.048,655 0.011,656 -0.038,657 -0.001,658 -0.004,659 -0.013,660 -0.124,661 0.013,662 -0.056,663 0.02,664 -0.092,665 -0.004,666 2.46,667 8.259,668 0.86,669 50.04,670 0.997,671 1.119,672 3.324,673 11.046,674 0.676,675 4.094,676 4.543,677 5.011,678 5.46,679 5.775,680 6.016,681 6.26,682 6.438,683 6.603,684 6.777,685 7.598,686 0.642,687 667.87,688 4.094,689 5.72,690 6.671,691 7.647,692 8.626,693 9.616,694 10.606,695 11.603,696 12.599,697 13.599,698 5.5,701 2,705 3,715 13,720 5,722 18,741 91,743 23,744 3,745 59,747 100,748 41,749 18,750 5,751 13,752 3,756 10,757 14,764 1,766 1,767 8,768 3,770 9,772 24,773 17,774 3,777 5,782 4,784 1,786 5,793 41,794 9,795 2,796 9,802 5,808 0.3,809 4,825 4,828 6,829 4,831 2,832 2,841 1,843 2,844 1,849 1,850 1,855 2,859 3,868 50,876 11,877 2,880 3,881 3,882 3,893 4.4,896 4,901 23.583,902 16.183,903 10.479,904 6.024,907 2.446,908 1.231,909 1.022,910 6.728,911 13.033,912 4.304,913 4.887,914 5.482,915 6.061,916 6.558,917 6.816,918 7.196,919 7.533,920 7.764,921 8.039,922 0.875,923 107,924 19.025,926 9.15,927 0.026,929 7.658,931 36.806,933 34.333,936 2.158,937 107.917,941 459.073,942 196.335,943 45.394,945 100.58,948 196.335,949 559.653,950 45.394,952 65.31,953 132.667,954 119.827,955 24.504,957 459.073,959 459.073,960 241.73,961 100.58,964 306.049,965 253.604,968 71.559,969 160.694,970 9.476,972 459.073,973 145.974,974 196.335,977 459.073,978 63.668,979 142.04,980 36.022,981 100.58,982 459.073,983 145.974,984 196.335,986 0.602,987 0.388,988 0.241,989 0.136,990 55,991 22,992 0.03,993 3,994 4,995 1.256,996 5.227,997 681.42,998 0.186,999 46,1000 273.438,1005 30.71,1006 10.953,1007 3.94,1009 145.974,1010 25.507,1015 4.271,1017 36.022,1018 801.382,1019 73,1024 58.951,1026 1.924,1028 0.255,1031 90.723,1032 101.803,1034 0.225,1035 0.553,1036 0.725,1037 0.852,1038 0.899,1039 0.929,1040 5.647,1041 2.292,1042 6.732,1043 8.003,1044 5.231,1045 5.576,1046 3.386,1047 7.784,1048 5.199,1049 6.873,1050 2.244,1051 8.444,1052 7.554,1053 5.13,1054 5.466,1055 2.78,1056 9.462,1057 5.08,1058 8.238,1059 2.086,1060 10.29,1061 7.256,1062 7.083,1063 7.695,1064 4.348,1065 12.761,1066 7.011,1067 9.647,1068 1.931,1069 12.229,1070 6.441,1071 7.901,1072 8.425,1073 4.447,1074 15.373,1075 7.812,1076 11.105,1077 1.762,1078 14.235,1079 6.088,1080 9.401,1081 10.172,1082 5.581,1083 18.373,1084 9.293,1085 12.598,1086 1.738,1087 16.29,1088 5.276,1089 10.588,1090 11.274,1091 5.988,1092 21.239,1093 10.463,1094 14.119,1095 1.44,1096 18.38,1097 5.242,1098 11.981,1099 12.847,1100 6.924,1101 24.193,1102 11.839,1103 4.123,1104 1.354,1105 20.497,1106 3.674,1107 13.3,1108 14.126,1109 7.482,1110 27.123,1111 13.141,1112 3.875,1113 19.713,1114 22.632,1115 3.528,1116 14.68,1117 15.63,1118 8.318,1119 30.075,1120 14.504,1121 3.133,1122 17.408,1123 24.781,1124 4.397,1125 16.046,1126 16.996,1127 8.954,1128 33.025,1129 15.854,1130 2.767,1131 12.204,1132 26.941,1133 4.253,1134 17.43,1135 18.472,1136 9.738,1137 35.981,1138 17.222,1139 2.738,1140 9.177,1141 29.108,1142 3.79,1143 18.814,1144 19.883,1145 10.416,1146 38.939,1147 18.59,1148 2.628,1149 9.112,1150 31.281,1151 3.512,1152 20.205,1153 21.348,1154 11.173,1155 41.901,1156 19.965,1157 2.554,1158 8.59,1159 33.459,1160 3.336,1161 21.597,1162 22.784,1163 11.873,1164 44.864,1165 21.342,1166 38608,1167 57100,1168 40.452,1169 61.552,1170 94.103,1171 96.99,1172 98.132,1173 92.937,1174 92.944,1175 111.224,1176 21.804,1177 305.79,1178 91.642,1179 6.185,1180 6.571,1181 8.889,1182 6.172,1183 6.123,1184 7.397,1185 3.624,1186 29.704,1187 6.064,1188 18.693,1189 1.595,1190 1.644,1191 1.663,1192 1.575,1193 1.575,1194 1.885,1195 0.37,1196 5.183,1197 1.553,1198 4.171,1199 4.205,1200 4.121,1201 4.067,1202 7.435,1203 4.075,1204 4.083,1205 4.118,1206 4.036,1207 3.985,1208 7.427,1209 3.992,1210 3.927,1211 3.956,1212 3.868,1213 3.868,1214 7.425,1215 3.863,1216 3.833,1217 3.874,1218 3.755,1219 3.74,1220 7.422,1221 3.738,1222 3.819,1223 3.865,1224 3.724,1225 3.718,1226 4.804,1227 3.712,1228 3.734,1229 3.785,1230 3.635,1231 3.584,1232 4.757,1233 3.589,1234 3.542,1235 3.586,1236 3.438,1237 3.408,1238 4.751,1239 3.404,1240 3.401,1241 3.441,1242 3.318,1243 3.263,1244 4.395,1245 3.263,1246 0.088,1247 0.077,1248 0.154,1249 0.087,1250 0.07,1251 5.185,1252 0.075,1253 4.571,1254 0.035,1255 9.087,1256 0.334,1257 5.108,1258 0.069,1259 4.123,1260 4.397,1261 2.086,1262 19.713,1263 4.064,1264 1.967,1265 1.945,1266 2.071,1267 2.07,1268 1.42,1269 2.069,1270 1.902,1271 1.878,1272 2.012,1273 1.981,1274 1.375,1275 1.992,1276 1.894,1277 1.869,1278 2.001,1279 1.968,1280 1.217,1281 1.981,1282 1.798,1283 1.763,1284 1.943,1285 1.923,1286 1.196,1287 1.931,1288 1.714,1289 1.671,1290 1.916,1291 1.855,1292 1.14,1293 1.874,1294 1.595,1295 1.535,1296 1.839,1297 1.762,1298 1.101,1299 1.794,1300 1.544,1301 1.495,1302 1.769,1303 1.744,1304 1.084,1305 1.73,1306 1.507,1307 1.454,1308 1.698,1309 1.739,1310 0.998,1311 1.723,1312 4.779,1314 6.196,1315 4.111,1316 7.829,1317 6.648,1318 9.575,1319 8.909,1320 11.391,1328 7.31,1329 6.332,1332 0.097,1333 6.527,1334 -3.257,1340 58.449,1341 133.28,1342 327.685,1343 429.168,1344 504.558,1345 532.209,1346 550.209,1347 118.462,1348 10.587,1349 102.06,1350 102.06,1351 54,1352 14.059,1353 4.585,1354 3.907,1355 58.283,1356 227,1357 230,1358 0.123,1359 339.095,1360 614.76,1361 819.153,1362 751664,1364 33.829,1365 0.677,1366 0.561,1367 33.829,1368 28.068,1369 24.374,1370 0.413,1371 0.31,1372 18.143,1373 23.726,1374 17.827,1375 14.48,1376 24.374,1377 18.314,1378 23.098,1379 0.248,1380 0.167,1381 23.098,1382 15.537,1383 22.045,1384 0.148,1385 0.09,1386 22.045,1387 13.35,1388 21.072,1389 0.09,1390 0.05,1391 21.072,1392 11.634,1393 18.078,1394 0.056,1395 0.027,1396 18.078,1397 8.746,1398 0.186,1399 150.974,1400 0.157,1401 41.112,1402 0.359,1403 304,1404 718.543,1405 325.43,1406 698.596,1407 980.62,1408 656,1409 394,1410 744.207,1411 419.455,1412 753.023,1413 1147.11,1414 716,1415 4.707}
{0 CHEMBL2332545,1 1.361,2 12.939,3 6.305,4 39.757,5 193.607,6 7.486,7 0.491,8 4.557,9 4.663,10 4.15,11 4.209,12 5.606,13 4.173,14 5.131,15 5.278,16 4.574,17 4.671,18 6.128,19 4.616,20 5.469,21 5.658,22 4.71,23 4.871,24 6.446,25 4.79,26 5.588,27 5.79,28 4.717,29 4.905,30 6.603,31 4.815,32 5.617,33 5.824,34 4.717,35 4.892,36 6.674,37 4.802,38 5.63,39 5.849,40 4.713,41 4.868,42 6.755,43 4.776,44 5.605,45 5.823,46 4.702,47 4.862,48 6.654,49 4.778,50 5.578,51 5.782,52 4.673,53 4.874,54 6.643,55 4.785,56 0.045,57 1.12,58 16.568,59 7.976,60 10.004,61 10.354,62 0.248,63 2.025,64 31.898,65 14.078,66 27.208,67 18.658,68 0.379,69 2.789,70 48.836,71 20.642,72 54.292,73 27.419,74 0.537,75 3.084,76 57.472,77 23.267,78 90.724,79 30.323,80 0.584,81 3.185,82 59.871,83 23.767,84 97.191,85 30.904,86 0.86,87 3.202,88 62.352,89 24.402,90 157.718,91 32.128,92 0.559,93 3.147,94 60.402,95 23.427,96 104.63,97 30.559,98 0.595,99 3.026,100 57.879,101 22.87,102 110.755,103 29.276,104 10,105 85,106 0.2,107 0.511,108 0.669,109 0.779,110 0.826,111 0.84,112 3.915,113 0.914,114 -6.19,115 -6.04,116 -5.61,121 50,123 4,124 1,127 3,129 1,132 1,137 2,138 2,144 18,145 7,146 1,158 1,160 2,176 33,179 1,180 11,183 1,185 2,187 42,191 1,192 10,195 1,197 3,200 43,205 1,206 14,211 3,214 37,218 2,219 17,224 2,227 30,231 3,232 19,235 2,239 25,244 25,251 28,256 17,261 2,264 36,268 1,269 11,274 2,277 48,281 5616,282 34.028,283 34.028,284 34.028,285 34.028,286 34.028,287 30.051,288 28.371,289 19.66,290 34.198,291 28.164,292 28.164,293 28.164,294 28.164,295 28.164,296 22.067,297 39.07,298 9.263,299 28.426,300 5.065,301 2.942,302 1.861,303 1.111,304 0.791,305 0.698,306 4.651,313 1459,314 4.123,317 310.678,318 757.23,320 182.877,321 164.825,322 426.585,325 1.672,326 47.02,329 0.5,330 0.5,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.7,337 102.5,338 634,339 4.961,340 4.379,341 8.511,342 4.851,343 3.875,344 4.454,345 2.086,346 17.408,347 3.782,348 4.545,349 3.79,350 6.573,351 4.143,352 3.142,353 4.445,354 1.946,355 10.436,356 3.146,357 4.507,358 3.587,359 6.514,360 4.037,361 3.037,362 4.253,363 0.942,364 10.238,365 3.037,366 4.315,367 3.176,368 6.414,369 3.955,370 2.959,371 3.743,372 0.827,373 9.846,374 2.95,375 3.986,376 3.042,377 6.288,378 3.727,379 2.754,380 3.335,381 0.359,382 9.169,383 2.681,384 3.842,385 3.021,386 5.989,387 3.586,388 2.594,389 3.112,390 0.357,391 8.329,392 2.551,393 3.706,394 2.798,395 5.85,396 3.272,397 2.286,398 3.04,399 0.047,400 7.545,401 2.252,402 3.503,403 2.486,404 5.436,405 3.248,406 2.249,407 2.84,409 6.915,410 2.246,411 3.464,412 2.404,413 5.405,414 3.047,415 2.043,416 2.617,418 6.175,419 2.049,420 3.215,421 2.374,422 5.185,423 2.926,424 1.929,425 2.427,427 6.061,428 1.911,429 3.146,430 2.097,431 5.084,432 2.776,433 1.78,434 2.427,436 5.473,437 1.774,438 3.118,439 1.941,440 4.975,441 2.715,442 1.738,443 2.42,445 5.241,446 1.69,447 3.118,448 1.926,449 4.472,450 2.618,451 1.618,452 2.221,454 3.795,455 1.618,456 2.903,457 1.618,458 4.206,459 2.618,460 1.618,461 1.97,463 3.755,464 1.618,465 2.839,466 1.618,467 4.16,468 2.359,469 1.354,470 1.943,472 3.643,473 1.358,474 23.7,475 0.484,476 1.187,477 0.024,478 65.25,479 1.332,480 34,481 0.694,482 31.25,483 0.638,484 52.049,485 1.062,486 48.9,487 0.569,488 61.159,489 1.248,490 12.474,491 0.255,492 11.527,493 0.235,494 0.042,495 0.021,496 0.35,501 0.607,502 1.07,503 0.75,504 0.916,505 0.5,506 0.856,507 0.664,508 1.069,509 0.879,510 0.962,511 0.531,512 0.939,513 0.904,514 1.028,515 0.959,516 1.006,517 0.841,518 0.986,519 1.312,520 1.047,521 1.063,522 1.016,523 1.348,524 1.014,525 1.388,526 1.07,527 1.079,528 1.051,529 1.427,530 1.035,531 1.227,532 1.004,533 0.984,534 0.973,535 1.288,536 0.958,537 1.466,538 0.987,539 1,540 0.932,541 1.407,542 0.917,543 1.606,544 0.949,545 1.113,546 0.952,547 1.614,548 0.976,549 9,550 0.546,551 6.667,552 4.861,553 3.251,554 1.914,555 1.441,556 0.931,557 0.812,558 0.624,559 45612,560 100088,561 2.238,562 43,564 27,567 1,568 2,569 7,572 1.856,573 2.138,574 3.593,575 -0.515,582 117.07,583 1.361,584 3.484,585 4.565,586 5.316,587 5.636,588 5.729,589 2.907,590 5.002,591 5.591,592 3.831,593 4504.95,594 9.989,595 87269.7,600 552.659,601 1.353,602 5.562,603 0.158,604 0.006,605 0.078,606 0.052,607 0.035,608 0.021,609 0.016,610 0.01,611 0.009,612 0.007,613 0.394,614 0.17,615 0.63,616 0.361,617 287.115,618 -0.002,619 -0.032,620 0.065,621 0.032,622 -0.011,623 0.05,624 0.074,625 -0.01,626 -0.006,627 -0.018,628 0.017,629 -0.021,630 0.019,631 -0.007,632 -0.014,633 -0.038,634 -0.002,635 -0.03,636 -0.079,637 -0.041,638 -0.072,639 -0.044,640 -0.096,641 -0.055,642 -0.051,643 -0.057,644 -0.07,645 -0.083,646 -0.068,647 -0.079,648 0.157,649 -0.003,650 0.047,651 0.004,652 0.141,653 0.012,654 -0.1,655 0.028,656 0.026,657 0.038,658 -0.038,659 0.046,660 -0.188,661 0.054,662 -0.101,663 0.02,664 -0.125,665 -0.022,666 2.095,667 7.57,668 0.857,669 55.269,670 0.992,671 1.107,672 4.964,673 24.643,674 0.701,675 4.06,676 4.454,677 4.852,678 5.22,679 5.501,680 5.656,681 5.849,682 6.004,683 6.168,684 6.295,685 8.357,686 0.665,687 643.83,688 4.06,689 5.652,690 6.564,691 7.494,692 8.424,693 9.364,694 10.303,695 11.248,696 12.193,697 13.143,698 3.5,701 1,705 2,714 4,715 18,720 4,722 28,741 86,743 33,744 5,745 57,747 94,748 43,749 26,750 8,751 18,752 5,756 9,757 13,767 4,768 2,770 5,772 33,773 10,774 2,777 5,782 3,784 2,786 5,793 37,794 6,795 1,796 6,802 3,808 0.444,809 3,825 2,828 3,829 6,831 1,832 1,833 2,841 1,843 1,844 1,849 2,850 2,855 1,859 4,868 49,876 7,877 1,880 2,881 2,882 1,893 3.5,896 3,901 22.917,902 15.483,903 10.417,904 5.515,907 4.641,908 1.463,909 1.051,910 7.285,911 14.657,912 4.344,913 4.973,914 5.619,915 6.232,916 6.805,917 7.116,918 7.548,919 7.952,920 8.338,921 8.527,922 1,923 94,924 18.402,926 8.427,927 0.026,929 7.614,931 35.734,933 31.97,936 2.114,937 103.583,941 423.76,942 249.499,943 24.259,945 75.435,948 249.499,949 499.194,950 24.259,952 37.59,953 189.525,954 89.978,955 32.101,957 423.76,959 423.76,960 273.759,961 75.435,964 341.362,965 157.832,968 40.715,969 214.092,970 18.952,972 423.76,973 99.694,974 249.499,977 423.76,978 59.974,979 195.774,980 18.011,981 75.435,982 423.76,983 99.694,984 249.499,986 0.592,987 0.371,988 0.219,989 0.121,990 47,991 19,992 0.043,993 4,994 4,995 1.214,996 5.438,997 608.405,998 0.19,999 43,1000 242.366,1005 30.099,1006 11.859,1007 4.86,1008 4.323,1009 99.694,1010 36.519,1015 3.746,1017 18.011,1018 772.953,1019 76,1024 42.865,1026 3.934,1028 1.106,1031 85.309,1032 95.182,1034 0.212,1035 0.542,1036 0.71,1037 0.827,1038 0.877,1039 0.891,1040 5.628,1041 2.249,1042 6.581,1043 7.545,1044 5.142,1045 5.663,1046 2.879,1047 7.518,1048 5.123,1049 6.852,1050 2.043,1051 8.216,1052 6.915,1053 4.844,1054 5.497,1055 2.371,1056 8.858,1057 4.811,1058 8.189,1059 1.929,1060 9.972,1061 6.175,1062 6.862,1063 7.889,1064 3.838,1065 12.086,1066 6.815,1067 9.567,1068 1.78,1069 11.81,1070 6.061,1071 7.474,1072 8.585,1073 3.996,1074 14.452,1075 7.406,1076 10.985,1077 1.738,1078 13.709,1079 5.473,1080 8.974,1081 10.448,1082 5.079,1083 17.345,1084 8.891,1085 12.432,1086 1.618,1087 15.658,1088 5.241,1089 9.997,1090 11.551,1091 5.512,1092 20.067,1093 9.886,1094 13.903,1095 1.618,1096 17.646,1097 3.795,1098 11.34,1099 13.196,1100 6.42,1101 22.917,1102 11.209,1103 3.875,1104 1.354,1105 19.666,1106 3.755,1107 12.54,1108 14.496,1109 6.985,1110 25.737,1111 12.38,1112 3.142,1113 17.408,1114 21.714,1115 3.643,1116 13.851,1117 16.047,1118 7.803,1119 28.588,1120 13.666,1121 3.037,1122 10.436,1123 23.783,1124 4.454,1125 15.127,1126 17.441,1127 8.438,1128 31.435,1129 14.912,1130 2.959,1131 10.238,1132 25.869,1133 4.445,1134 16.442,1135 18.951,1136 9.209,1137 34.289,1138 16.199,1139 2.754,1140 9.846,1141 27.968,1142 4.253,1143 17.753,1144 20.39,1145 9.882,1146 37.143,1147 17.481,1148 2.594,1149 9.169,1150 30.077,1151 3.743,1152 19.08,1153 21.883,1154 10.629,1155 39.999,1156 18.779,1157 2.286,1158 8.329,1159 32.194,1160 3.335,1161 20.409,1162 23.344,1163 11.323,1164 42.855,1165 20.079,1166 40296,1167 59868,1168 39.471,1169 60.324,1170 88.804,1171 91.29,1172 90.767,1173 87.717,1174 87.726,1175 113.994,1176 13.129,1177 270.43,1178 87.056,1179 5.961,1180 6.379,1181 8.2,1182 5.913,1183 5.875,1184 7.454,1185 3.624,1186 25.976,1187 5.782,1188 16.204,1189 1.558,1190 1.602,1191 1.592,1192 1.539,1193 1.539,1194 2,1195 0.23,1196 4.744,1197 1.527,1198 4.158,1199 4.186,1200 4.109,1201 4.102,1202 7.433,1203 4.099,1204 4.08,1205 4.108,1206 4.033,1207 4.038,1208 7.426,1209 4.032,1210 4.069,1211 4.087,1212 4.025,1213 3.995,1214 7.424,1215 4.001,1216 3.862,1217 3.895,1218 3.807,1219 3.75,1220 4.928,1221 3.758,1222 3.814,1223 3.861,1224 3.72,1225 3.71,1226 4.888,1227 3.707,1228 3.564,1229 3.605,1230 3.47,1231 3.437,1232 4.765,1233 3.426,1234 3.503,1235 3.542,1236 3.41,1237 3.427,1238 4.422,1239 3.425,1240 3.447,1241 3.493,1242 3.341,1243 3.36,1244 4.368,1245 3.348,1246 0.087,1247 0.077,1248 0.149,1249 0.085,1250 0.068,1251 4.961,1252 0.078,1253 4.379,1254 0.037,1255 8.511,1256 0.305,1257 4.851,1258 0.066,1259 3.875,1260 4.454,1261 2.086,1262 17.408,1263 3.782,1264 2.095,1265 2.079,1266 2.174,1267 2.149,1268 1.387,1269 2.158,1270 2.078,1271 2.061,1272 2.159,1273 2.126,1274 1.328,1275 2.138,1276 1.905,1277 1.88,1278 2.014,1279 1.999,1280 1.301,1281 2.003,1282 1.823,1283 1.794,1284 1.948,1285 1.955,1286 1.202,1287 1.955,1288 1.709,1289 1.667,1290 1.903,1291 1.847,1292 1.147,1293 1.867,1294 1.549,1295 1.499,1296 1.774,1297 1.744,1298 1.093,1299 1.733,1300 1.521,1301 1.485,1302 1.69,1303 1.697,1304 0.969,1305 1.72,1306 1.495,1307 1.437,1308 1.687,1309 1.621,1310 0.791,1311 1.646,1312 4.745,1314 6.12,1315 3.434,1316 7.706,1317 5.938,1318 9.393,1319 8.174,1320 11.138,1328 4.443,1329 3.161,1332 0.115,1333 4.217,1334 -0.845,1340 57.164,1341 117.07,1342 299.652,1343 392.581,1344 457.149,1345 484.659,1346 492.659,1347 97.162,1348 10.016,1349 69.72,1350 69.72,1351 51,1352 13.633,1353 5.087,1354 4.322,1355 60.236,1356 242,1357 232,1358 0.115,1359 336.379,1360 598.57,1361 812.525,1362 400715,1364 33.114,1365 0.676,1366 0.557,1367 33.114,1368 27.271,1369 24.001,1370 0.421,1371 0.305,1372 17.26,1373 23.562,1374 16.899,1375 13.846,1376 24.001,1377 17.374,1378 22.112,1379 0.26,1380 0.164,1381 22.112,1382 13.947,1383 20.473,1384 0.161,1385 0.089,1386 20.473,1387 11.295,1388 18.589,1389 0.101,1390 0.05,1391 18.589,1392 9.148,1393 15.835,1394 0.065,1395 0.027,1396 15.835,1397 6.678,1398 0.178,1399 147.238,1400 0.159,1401 41.244,1402 0.325,1403 284,1404 668.83,1405 298.082,1406 663.179,1407 933.48,1408 624,1409 354,1410 705.149,1411 370.053,1412 722.37,1413 1079.85,1414 686,1415 5.17}
{0 CHEMBL2332546,1 1.671,2 10.517,3 6.383,4 40.736,5 120.97,6 10.618,7 0.387,8 3.878,9 3.951,10 3.743,11 3.596,12 5.103,13 3.556,14 4.366,15 4.476,16 4.176,17 3.988,18 5.611,19 3.932,20 4.647,21 4.768,22 4.325,23 4.161,24 5.929,25 4.075,26 4.739,27 4.896,28 4.348,29 4.105,30 6.033,31 4.005,32 4.563,33 4.71,34 4.14,35 4.033,36 5.803,37 3.962,38 4.741,39 4.901,40 4.309,41 4.087,42 6.176,43 4.023,44 4.631,45 4.78,46 4.252,47 4.074,48 5.927,49 3.995,50 4.656,51 4.797,52 4.313,53 4.036,54 6.13,55 3.931,56 0.085,57 0.484,58 2.848,59 3.073,60 11.033,61 3.761,62 0.24,63 0.82,64 7.737,65 5.461,66 16.435,67 6.446,68 0.384,69 1.009,70 20.019,71 8.405,72 51.685,73 9.656,74 0.837,75 1.137,76 36.515,77 10.326,78 111.02,79 10.474,80 0.289,81 0.983,82 15.552,83 7.863,84 39.73,85 9.643,86 0.815,87 1.149,88 30.774,89 10.201,90 111.487,91 11.245,92 0.423,93 1.051,94 15.583,95 8.423,96 64.823,97 9.437,98 0.862,99 0.942,100 34.528,101 9.826,102 103.749,103 10.576,104 52,105 44,106 0.286,107 0.584,108 0.717,109 0.78,110 0.78,111 0.78,112 3.408,113 0.974,114 -6.34,115 -6.17,116 -5.73,121 50,127 2,136 1,137 3,138 2,144 6,145 2,146 4,158 1,160 1,176 9,179 1,180 6,187 19,192 6,200 16,205 1,206 6,214 17,219 6,227 10,231 1,232 15,239 15,244 3,251 12,256 10,264 17,277 14,281 1351,282 18.972,283 18.972,284 18.972,285 18.972,286 18.972,287 16.687,288 17.514,289 10.884,290 19.51,291 15.172,292 15.172,293 15.172,294 15.172,295 15.172,296 11.569,297 17.546,298 5.097,299 16.214,300 3.789,301 2.053,302 1.279,303 0.909,304 0.909,305 0.909,306 4.083,308 4,312 1,313 637,314 3.317,318 299.993,325 1.603,326 39.64,329 0.75,330 0.67,331 0.83,332 0.3,333 0.5,334 0.83,335 1,336 0.7,337 61.833,338 305,339 4.438,340 3.742,341 6.502,342 4.107,343 3.113,344 4.002,345 1.259,346 10.16,347 3.101,348 4.264,349 3.527,350 6.09,351 3.808,352 2.868,353 3.925,354 0.577,355 8.85,356 2.674,357 4.151,358 3.209,359 6.042,360 3.743,361 2.806,362 3.624,363 0.359,364 8.655,365 2.609,366 3.868,367 3.194,368 5.905,369 3.546,370 2.556,371 3.1,373 8.05,374 2.498,375 3.617,376 2.726,377 5.225,378 3.131,379 2.205,380 2.952,382 6.41,383 2.014,384 3.44,385 2.712,386 4.956,387 2.968,388 2.087,389 2.744,391 5.788,392 1.757,393 3.263,394 2.447,395 4.906,396 2.794,397 1.879,398 2.449,400 5.508,401 1.635,402 2.856,403 2.351,404 4.224,405 2.417,406 1.448,407 1.979,409 3.748,410 1.403,411 2.79,412 1.879,413 4.162,414 2.359,415 1.414,416 1.899,418 3.61,419 1.24,420 2.761,421 1.704,422 4.122,423 2.319,424 1.388,425 1.706,427 3.578,428 1.223,429 2.35,430 1.446,431 3.434,432 1.676,433 0.661,434 0.997,436 1.643,437 0.645,438 2.051,439 0.761,440 3.051,441 1.249,442 0.341,443 0.398,445 0.839,446 0.276,447 1.559,448 0.692,449 2.742,450 1.247,451 0.238,452 0.375,454 0.377,455 0.229,456 1.401,457 0.637,458 2.591,459 0.964,465 1,466 0.256,467 2.359,468 0.558,469 -0.347,470 -0.424,472 -0.968,473 -0.287,474 14.924,475 0.515,476 0.894,477 0.031,478 37.25,479 1.284,480 19.5,481 0.672,482 17.75,483 0.612,484 25.842,485 0.891,486 29.476,487 0.67,488 30.538,489 1.053,490 7.619,491 0.263,492 6.159,493 0.212,494 0.27,496 0.362,501 0.53,502 1.086,503 0.478,504 0.721,505 0.557,506 0.738,507 0.658,508 1.01,509 0.581,510 0.711,511 0.574,512 0.771,513 0.995,514 1.227,515 0.985,516 1.104,517 0.911,518 1.094,519 1.331,520 0.828,521 0.899,522 0.835,523 1.636,524 0.947,525 0.724,526 1.229,527 0.607,528 0.986,529 0.835,530 0.983,531 0.939,532 0.959,533 0.821,534 0.969,535 1.075,536 0.911,537 1.022,538 1.079,539 0.651,540 0.823,541 1.178,542 0.908,543 1.059,544 0.92,545 1.268,546 1.255,547 1.152,548 1.155,549 7.5,550 0.157,551 4,552 2.125,553 2.151,554 1.125,555 0.976,556 0.708,557 0.452,558 0.325,559 9497,560 39370,561 1.973,562 34.1,564 15,572 1.726,573 1.794,574 3.344,575 -0.751,582 73.504,583 1.671,584 3.407,585 4.181,586 4.55,587 4.55,588 4.55,589 2.833,590 4.004,591 4.828,592 3.496,593 1419.33,594 8.449,595 19060.9,600 240.215,601 1.556,602 4.756,603 0.242,604 0.007,605 0.091,606 0.045,607 0.052,608 0.026,609 0.021,610 0.016,611 0.012,612 0.011,613 0.525,614 0.67,615 0.75,616 0.998,617 145.764,618 -0.011,619 -0.079,620 0.002,621 -0.014,622 -0.06,623 0.002,624 0.002,625 0.051,626 0.032,627 0.076,628 0.028,629 0.041,630 -0.127,631 -0.25,632 -0.136,633 -0.209,634 -0.05,635 -0.197,636 -0.161,637 0.197,638 0.005,639 0.16,640 -0.268,641 0.03,642 0.007,643 -0.229,644 0.033,645 -0.105,646 0.007,647 -0.05,648 0.127,649 0.08,650 0.015,651 0.002,652 0.157,653 0.067,654 -0.109,655 -0.055,656 0.057,657 0.091,658 -0.096,659 0.028,660 0.122,661 0.017,662 -0.132,663 -0.222,664 0.075,665 -0.153,666 1.946,667 6.109,668 0.621,669 26.992,670 1.023,671 1.101,672 5.11,673 26.115,674 0.777,675 3.466,676 3.807,677 4.043,678 4.248,679 4.511,680 4.575,681 4.635,682 4.754,683 4.86,684 4.883,685 6.293,686 0.739,687 467.18,688 3.466,689 5.017,690 5.861,691 6.737,692 7.6,693 8.479,694 9.351,695 10.232,696 11.107,697 11.99,698 2.3,705 1,715 6,720 6,722 12,740 4,741 44,743 17,744 2,745 31,747 46,748 22,749 12,750 6,751 6,752 8,756 3,757 3,758 4,772 20,773 2,777 5,778 1,782 2,784 3,786 4,793 15,794 3,796 7,797 4,802 1,808 1,809 2,829 3,841 1,844 1,848 1,849 3,850 2,859 3,865 4,868 29,876 2,881 1,892 4,893 4.5,896 2,901 16.167,902 8.105,903 6.389,904 2.448,907 3.133,908 1.43,909 0.98,910 6.988,911 10.413,912 3.761,913 4.344,914 4.879,915 5.341,916 5.873,917 6.122,918 6.38,919 6.782,920 7.119,921 7.391,922 1,923 47,924 10.71,926 4.607,927 0.026,929 8.021,931 19.756,933 16.01,936 2.521,937 73.111,941 176.567,942 141.847,943 3.124,944 156.595,945 50.29,948 141.847,949 383.451,950 3.124,952 23.103,953 85.286,954 60.128,955 26.745,957 176.567,958 156.595,959 176.567,960 144.972,961 50.29,962 156.595,964 176.567,965 50.29,968 7.336,969 109.207,970 185.023,972 176.567,973 53.414,974 298.442,977 176.567,978 40.794,979 88.411,981 222.651,982 176.567,983 53.414,984 298.442,986 0.591,987 0.345,988 0.17,989 0.098,990 20,991 11,992 0.065,993 3,995 1,996 3.856,997 253.373,999 18,1000 118.881,1005 21.817,1006 9.288,1007 5.187,1009 53.414,1010 10.005,1015 3.085,1018 528.423,1019 42,1020 3.534,1024 25.356,1026 4.553,1028 0.382,1031 45.004,1032 48.43,1034 0.306,1035 0.624,1036 0.766,1037 0.833,1038 0.833,1039 0.833,1040 5.011,1041 1.448,1042 5.872,1043 5.508,1044 4.489,1045 5.03,1046 1.603,1047 6.681,1048 4.37,1049 6.239,1050 1.414,1051 7.444,1052 3.748,1053 4.205,1054 4.913,1055 0.325,1056 7.561,1057 3.964,1058 7.556,1059 1.388,1060 9.108,1061 3.61,1062 6.098,1063 7.196,1064 1.709,1065 10.623,1066 5.913,1067 8.902,1068 0.661,1069 10.821,1070 3.578,1071 6.553,1072 7.809,1073 0.82,1074 12.246,1075 6.285,1076 10.273,1077 0.341,1078 12.565,1079 1.643,1080 7.965,1081 9.608,1082 1.965,1083 14.842,1084 7.731,1085 11.663,1086 0.238,1087 14.33,1088 0.839,1089 8.755,1090 10.566,1091 1.329,1092 16.798,1093 8.471,1094 13.066,1096 16.109,1097 0.377,1098 9.979,1099 12.157,1100 2.285,1101 19.211,1102 9.71,1103 3.113,1104 -0.347,1105 17.899,1107 10.929,1108 13.295,1109 1.834,1110 21.33,1111 10.632,1112 2.868,1113 10.16,1114 19.699,1115 -0.968,1116 12.075,1117 14.784,1118 2.643,1119 23.667,1120 11.784,1121 2.806,1122 8.85,1123 21.505,1124 4.002,1125 13.103,1126 16.022,1127 2.335,1128 25.869,1129 12.798,1130 2.556,1131 8.655,1132 23.318,1133 3.925,1134 14.219,1135 17.457,1136 3.026,1137 28.177,1138 13.917,1139 2.205,1140 8.05,1141 25.136,1142 3.624,1143 15.285,1144 18.751,1145 2.832,1146 30.424,1147 14.978,1148 2.087,1149 6.41,1150 26.958,1151 3.1,1152 16.392,1153 20.157,1154 3.428,1155 32.722,1156 16.088,1157 1.879,1158 5.788,1159 28.783,1160 2.952,1161 17.478,1162 21.484,1163 3.324,1164 34.993,1165 17.175,1166 9448,1167 19350,1168 19.709,1169 34.199,1170 47.683,1171 49.773,1172 49.108,1173 46.733,1174 46.01,1175 60.299,1176 4.39,1177 134.432,1178 42.608,1179 5.438,1180 5.742,1181 6.045,1182 5.145,1183 5.113,1184 7.002,1185 2.373,1186 17.2,1187 5.101,1188 18.507,1189 1.538,1190 1.606,1191 1.584,1192 1.508,1193 1.484,1194 1.945,1195 0.142,1196 4.337,1197 1.374,1198 4.018,1199 4.038,1200 4.124,1201 3.96,1202 7.431,1203 3.956,1204 3.904,1205 3.917,1206 4.08,1207 3.873,1208 7.425,1209 3.861,1210 3.786,1211 3.813,1212 3.827,1213 3.677,1214 5.034,1215 3.683,1216 3.547,1217 3.571,1218 3.599,1219 3.413,1220 5.009,1221 3.42,1222 3.287,1223 3.324,1224 3.587,1225 3.224,1226 4.656,1227 3.209,1228 3.086,1229 3.149,1230 3.48,1231 2.915,1232 4.634,1233 2.905,1234 2.886,1235 2.922,1236 3.262,1237 2.804,1238 4.632,1239 2.775,1240 2.88,1241 2.922,1242 3.073,1243 2.798,1244 4.367,1245 2.774,1246 0.143,1247 0.121,1248 0.21,1249 0.132,1250 0.1,1251 4.438,1252 0.129,1253 3.742,1254 0.041,1255 6.502,1256 0.328,1257 4.107,1258 0.1,1259 3.113,1260 4.002,1261 1.259,1262 10.16,1263 3.101,1264 1.963,1265 1.947,1266 2.034,1267 2.052,1268 1.238,1269 2.051,1270 1.894,1271 1.88,1272 1.949,1273 1.943,1274 1.099,1275 1.96,1276 1.741,1277 1.714,1278 1.843,1279 1.869,1280 1.009,1281 1.871,1282 1.509,1283 1.477,1284 1.695,1285 1.663,1286 0.699,1287 1.671,1288 1.294,1289 1.259,1290 1.476,1291 1.403,1292 0.531,1293 1.435,1294 1.037,1295 0.975,1296 1.256,1297 1.277,1298 0.357,1299 1.274,1300 0.868,1301 0.824,1302 1.106,1303 1.02,1304 0.229,1305 1.063,1306 0.868,1307 0.824,1308 1.098,1309 1.019,1310 0.168,1311 1.061,1312 4.143,1314 5.476,1316 6.999,1318 8.607,1320 10.26,1323 24.374,1328 0.294,1333 1.527,1340 32.502,1341 73.504,1342 149.897,1343 183.95,1344 200.215,1345 200.215,1346 200.215,1347 75.922,1348 7.28,1349 37.38,1350 37.38,1351 18,1352 12.525,1353 4.17,1354 3.585,1355 52.058,1356 109,1357 112,1358 0.235,1359 215.539,1360 390.66,1361 517.674,1362 13077,1363 9.1,1364 21.129,1365 0.729,1366 0.625,1367 23.129,1368 18.117,1369 13.778,1370 0.444,1371 0.325,1372 8.618,1373 12.35,1374 8.259,1375 6.788,1376 14.933,1377 10.067,1378 12.779,1379 0.29,1380 0.184,1381 14.337,1382 8.086,1383 10.576,1384 0.189,1385 0.098,1386 11.808,1387 5.501,1388 8.042,1389 0.117,1390 0.056,1391 9.404,1392 3.863,1393 6.585,1394 0.073,1395 0.028,1396 7.381,1397 2.563,1398 0.361,1399 97.1,1400 0.225,1401 27.181,1402 0.668,1403 150,1404 485.93,1405 218.81,1406 594.3,1407 753.03,1408 546,1409 175,1410 441.541,1411 225.254,1412 491.304,1413 715.66,1414 460,1415 4.803}
{0 CHEMBL2332547,1 1.285,2 10.818,3 5.542,4 30.71,5 134.651,6 7.67,7 0.595,8 4.108,9 4.206,10 3.716,11 3.796,12 5.251,13 3.756,14 4.602,15 4.736,16 4.075,17 4.192,18 5.703,19 4.135,20 4.885,21 5.05,22 4.197,23 4.362,24 5.981,25 4.285,26 4.997,27 5.187,28 4.116,29 4.351,30 6.099,31 4.256,32 4.921,33 5.11,34 4.116,35 4.323,36 5.996,37 4.226,38 4.997,39 5.207,40 4.178,41 4.303,42 6.176,43 4.226,44 4.942,45 5.118,46 4.199,47 4.304,48 6.162,49 4.242,50 4.978,51 5.176,52 4.104,53 4.298,54 6.145,55 4.213,56 0.024,57 0.632,58 9.86,59 4.932,60 7.92,61 6.367,62 0.134,63 1.093,64 17.674,65 8.143,66 13.31,67 10.602,68 0.114,69 1.437,70 25.315,71 11.638,72 33.254,73 15.194,74 0.378,75 1.639,76 31.24,77 13.001,78 67.421,79 16.215,80 0.11,81 1.505,82 27.422,83 12.488,84 31.528,85 16.576,86 0.341,87 1.667,88 32.136,89 13.326,90 76.981,91 17.296,92 0.227,93 1.559,94 28.499,95 11.892,96 57.631,97 14.798,98 0.324,99 1.624,100 31.199,101 12.732,102 68.603,103 15.793,104 12,105 52,106 0.206,107 0.464,108 0.606,109 0.704,110 0.758,111 0.781,112 3.532,113 0.889,114 -5.78,115 -5.64,116 -5.26,121 53.6,127 2,136 1,137 3,138 2,144 14,145 6,158 1,160 1,176 27,179 1,180 6,187 35,192 6,200 36,205 1,206 6,214 29,219 10,227 22,231 1,232 15,239 17,244 17,251 22,256 10,264 28,269 6,277 32,281 1859,282 22.8,283 22.8,284 22.8,285 22.8,286 22.8,287 19.6,288 11.109,289 13.415,290 22.845,291 18.214,292 18.214,293 18.214,294 18.214,295 18.214,296 13.239,297 13.7,298 6.272,299 18.256,300 4.522,301 2.907,302 2.019,303 1.411,304 1.071,305 0.929,306 4.244,312 1,313 791,314 3.317,318 428.66,322 280.719,325 1.664,326 26.139,329 0.75,330 0.83,331 1,332 0.6,333 0.5,334 1,335 1,336 0.81,337 68.5,338 357,339 4.545,340 3.742,341 6.572,342 4.142,343 3.142,344 4.454,345 1.259,346 10.434,347 3.146,348 4.507,349 3.526,350 6.514,351 4.037,352 3.037,353 4.445,354 0.577,355 10.238,356 3.037,357 4.316,358 3.042,359 6.412,360 3.953,361 2.957,362 3.744,363 0.359,364 9.836,365 2.949,366 3.877,367 3.021,368 5.924,369 3.568,370 2.572,371 3.112,373 8.137,374 2.542,375 3.706,376 2.455,377 5.405,378 3.248,379 2.249,380 3.108,382 6.915,383 2.246,384 3.465,385 2.404,386 5.185,387 3.045,388 2.041,389 2.843,391 6.152,392 2.048,393 3.215,394 2.093,395 4.975,396 2.776,397 1.78,398 2.427,400 5.473,401 1.774,402 3.118,403 1.941,404 4.214,405 2.618,406 1.618,407 2.427,409 3.795,410 1.618,411 3.118,412 1.618,413 4.161,414 2.618,415 1.618,416 2.42,418 3.755,419 1.618,420 2.777,421 1.618,422 4.138,423 2.417,424 1.414,425 1.904,427 3.58,428 1.404,429 2.765,430 1.519,431 3.613,432 2.273,433 1.273,434 1.895,436 2.844,437 1.273,438 2.762,439 1.271,440 3.592,441 2.268,442 1.269,443 1.709,445 2.824,446 1.268,447 2.49,448 1.267,449 3.489,450 1.972,451 0.964,452 1.393,454 2.281,455 0.97,456 2.316,457 0.914,458 3.337,459 1.882,460 0.883,461 1.238,463 2.082,464 0.882,465 2.2,466 0.884,467 3.182,468 1.543,469 0.501,470 0.792,472 1.207,473 0.519,474 16.067,475 0.487,476 0.709,477 0.021,478 47.25,479 1.432,480 27.5,481 0.833,482 19.75,483 0.598,484 24.752,485 0.75,486 31.933,487 0.57,488 39.63,489 1.201,490 9.741,491 0.295,492 6.394,493 0.194,494 0.073,496 0.336,501 0.541,502 0.975,503 0.734,504 0.876,505 0.556,506 0.831,507 0.668,508 0.95,509 0.879,510 0.913,511 0.586,512 0.907,513 0.832,514 1.097,515 0.94,516 1.064,517 0.781,518 1.02,519 1.609,520 0.911,521 1.161,522 0.929,523 1.655,524 0.992,525 0.757,526 1.17,527 0.966,528 1.144,529 0.803,530 1.087,531 1.184,532 0.975,533 0.849,534 0.893,535 1.127,536 0.847,537 1.568,538 1.119,539 1.018,540 1.03,541 1.431,542 0.978,543 1.752,544 0.907,545 1.101,546 0.91,547 1.668,548 0.936,549 5.5,550 0.182,551 4,552 2.125,553 1.876,554 1.083,555 0.817,556 0.656,557 0.436,558 0.291,559 14947,560 36112,561 2.15,562 41.1,564 23,572 1.759,573 2.041,574 3.407,575 -0.901,582 71.963,583 1.285,584 2.901,585 3.788,586 4.396,587 4.736,588 4.879,589 2.855,590 4.052,591 5.019,592 3.574,593 1887.18,594 8.828,595 27578.6,600 325.212,601 1.301,602 4.989,603 0.149,604 0.006,605 0.077,606 0.037,607 0.037,608 0.021,609 0.015,610 0.012,611 0.009,612 0.007,613 0.369,614 0.67,615 0.75,616 0.773,617 172.44,618 0.01,619 -0.028,620 0.049,621 0.019,622 -0.056,623 0.033,624 0.056,625 0.049,626 -0.032,627 -0.007,628 -0.009,629 -0.023,630 0.011,631 -0.134,632 -0.031,633 -0.114,634 0.035,635 -0.083,636 -0.169,637 0.088,638 -0.161,639 0.038,640 -0.221,641 -0.046,642 0.059,643 -0.208,644 -0.021,645 -0.174,646 0.023,647 -0.117,648 0.152,649 0.038,650 0.181,651 0.089,652 0.176,653 0.13,654 -0.073,655 -0.1,656 -0.031,657 -0.086,658 0.015,659 -0.058,660 -0.193,661 0.106,662 -0.078,663 0.06,664 -0.115,665 0.014,666 1.852,667 6.563,668 0.788,669 30.99,670 0.991,671 1.098,672 4.548,673 20.684,674 0.719,675 3.638,676 3.97,677 4.29,678 4.564,679 4.844,680 4.92,681 5.069,682 5.215,683 5.371,684 5.421,685 6.695,686 0.683,687 429.54,688 3.638,689 5.187,690 6.057,691 6.942,692 7.827,693 8.718,694 9.607,695 10.5,696 11.391,697 12.286,698 1.8,705 1,714 4,715 14,720 2,722 22,741 56,743 27,744 4,745 37,747 60,748 30,749 20,750 6,751 14,752 8,756 5,757 7,772 28,773 2,777 5,778 1,782 2,784 3,786 4,793 23,794 3,796 3,802 1,808 0.6,809 2,829 5,833 2,841 1,844 1,848 1,849 3,850 2,859 3,868 33,876 2,881 1,893 3.6,896 2,901 16.167,902 10.2,903 7.278,904 3.319,907 5.65,908 1.68,909 1.039,910 5.564,911 13.959,912 3.989,913 4.615,914 5.278,915 5.874,916 6.49,917 6.824,918 7.282,919 7.717,920 8.155,921 8.328,922 1,923 57,924 12.24,926 5.314,927 0.026,929 7.702,931 23.44,933 19.682,936 2.202,937 72.667,941 270.735,942 213.947,943 3.124,945 50.29,948 213.947,949 321.025,950 3.124,952 23.103,953 161.096,954 60.128,955 23.034,957 270.735,959 270.735,960 217.071,961 50.29,964 270.735,965 50.29,968 7.336,969 181.307,970 28.429,972 270.735,973 53.414,974 213.947,977 270.735,978 37.084,979 164.221,981 66.057,982 270.735,983 53.414,984 213.947,986 0.579,987 0.354,988 0.194,989 0.109,990 26,991 11,992 0.05,993 3,994 2,995 1.154,996 4.309,997 322.913,998 0.154,999 26,1000 136.465,1005 20.816,1006 8.82,1007 4.071,1008 4.375,1009 53.414,1010 28.291,1015 1.933,1018 538.096,1019 53,1020 3.64,1024 26.099,1026 5.148,1028 0.984,1031 55.476,1032 61.484,1034 0.221,1035 0.5,1036 0.652,1037 0.757,1038 0.816,1039 0.84,1040 5.218,1041 1.618,1042 6.038,1043 5.473,1044 4.654,1045 5.303,1046 1.603,1047 6.868,1048 4.65,1049 6.44,1050 1.618,1051 7.607,1052 3.795,1053 4.205,1054 5.094,1055 0.325,1056 7.794,1057 4.205,1058 7.755,1059 1.414,1060 9.279,1061 3.755,1062 6.263,1063 7.573,1064 1.709,1065 10.917,1066 6.254,1067 9.11,1068 1.273,1069 11.011,1070 3.58,1071 6.661,1072 8.237,1073 0.82,1074 12.662,1075 6.659,1076 10.498,1077 1.269,1078 12.781,1079 2.844,1080 8.163,1081 10.151,1082 1.965,1083 15.284,1084 8.15,1085 11.911,1086 0.964,1087 14.577,1088 2.824,1089 8.951,1090 11.241,1091 1.329,1092 17.358,1093 8.946,1094 13.342,1095 0.883,1096 16.389,1097 2.281,1098 10.225,1099 12.914,1100 2.285,1101 19.8,1102 10.214,1103 3.142,1104 0.501,1105 18.214,1106 2.082,1107 11.195,1108 14.213,1109 1.834,1110 22.014,1111 11.189,1112 3.037,1113 10.434,1114 20.049,1115 1.207,1116 12.375,1117 15.781,1118 2.643,1119 24.386,1120 12.365,1121 2.957,1122 10.238,1123 21.89,1124 4.454,1125 13.426,1126 17.18,1127 2.335,1128 26.661,1129 13.42,1130 2.572,1131 9.836,1132 23.737,1133 4.445,1134 14.569,1135 18.702,1136 3.026,1137 29.006,1138 14.561,1139 2.249,1140 8.137,1141 25.588,1142 3.744,1143 15.658,1144 20.149,1145 2.832,1146 31.308,1147 15.653,1148 2.041,1149 6.915,1150 27.442,1151 3.112,1152 16.786,1153 21.652,1154 3.428,1155 33.642,1156 16.781,1157 1.78,1158 6.152,1159 29.3,1160 3.108,1161 17.892,1162 23.121,1163 3.324,1164 35.958,1165 17.889,1166 13892,1167 21712,1168 25.255,1169 40.29,1170 56.553,1171 57.772,1172 57.296,1173 55.12,1174 55.065,1175 76.526,1176 4.39,1177 159.816,1178 55.025,1179 5.545,1180 5.742,1181 6.262,1182 5.179,1183 5.142,1184 7.454,1185 2.373,1186 17.537,1187 5.146,1188 12.885,1189 1.528,1190 1.561,1191 1.549,1192 1.49,1193 1.488,1194 2.068,1195 0.119,1196 4.319,1197 1.487,1198 4.13,1199 4.15,1200 4.085,1201 4.091,1202 7.431,1203 4.087,1204 4.069,1205 4.087,1206 4.025,1207 4.038,1208 7.425,1209 4.032,1210 3.865,1211 3.897,1212 3.811,1213 3.748,1214 4.925,1215 3.758,1216 3.571,1217 3.599,1218 3.503,1219 3.438,1220 4.888,1221 3.444,1222 3.503,1223 3.542,1224 3.41,1225 3.437,1226 4.654,1227 3.426,1228 3.435,1229 3.479,1230 3.332,1231 3.349,1232 4.414,1233 3.34,1234 3.276,1235 3.322,1236 3.171,1237 3.201,1238 4.355,1239 3.189,1240 3.107,1241 3.172,1242 2.974,1243 2.978,1244 4.249,1245 2.969,1246 0.123,1247 0.101,1248 0.178,1249 0.112,1250 0.085,1251 4.545,1252 0.12,1253 3.742,1254 0.034,1255 6.572,1256 0.282,1257 4.142,1258 0.085,1259 3.142,1260 4.454,1261 1.259,1262 10.434,1263 3.146,1264 2.095,1265 2.079,1266 2.174,1267 2.148,1268 1.33,1269 2.158,1270 2.078,1271 2.061,1272 2.159,1273 2.126,1274 1.301,1275 2.138,1276 1.821,1277 1.793,1278 1.937,1279 1.969,1280 1.147,1281 1.96,1282 1.536,1283 1.501,1284 1.718,1285 1.691,1286 0.791,1287 1.696,1288 1.521,1289 1.485,1290 1.69,1291 1.621,1292 0.708,1293 1.646,1294 1.448,1295 1.408,1296 1.642,1297 1.57,1298 0.646,1299 1.597,1300 1.297,1301 1.256,1302 1.498,1303 1.414,1304 0.537,1305 1.445,1306 1.1,1307 1.044,1308 1.325,1309 1.296,1310 0.415,1311 1.305,1312 4.317,1314 5.645,1316 7.188,1318 8.826,1320 10.513,1328 0.527,1333 1.669,1340 38.246,1341 71.963,1342 162.443,1343 212.134,1344 246.192,1345 265.212,1346 273.212,1347 57.435,1348 8.31,1349 37.38,1350 37.38,1351 30,1352 12.812,1353 4.807,1354 4.087,1355 47.477,1356 133,1357 120,1358 0.172,1359 232.45,1360 411.14,1361 558.937,1362 52587,1364 22.786,1365 0.69,1366 0.552,1367 22.786,1368 18.2,1369 16.135,1370 0.436,1371 0.296,1372 10.909,1373 15.91,1374 10.624,1375 8.818,1376 16.135,1377 10.966,1378 14.266,1379 0.274,1380 0.158,1381 14.266,1382 8.203,1383 12.804,1384 0.178,1385 0.085,1386 12.804,1387 6.098,1388 10.614,1389 0.112,1390 0.047,1391 10.614,1392 4.452,1393 9.131,1394 0.072,1395 0.025,1396 9.131,1397 3.172,1398 0.266,1399 98.542,1400 0.199,1401 30.19,1402 0.489,1403 178,1404 449.116,1405 184.733,1406 450.492,1407 625.15,1408 422,1409 213,1410 462.09,1411 220.316,1412 478.654,1413 701.6,1414 452,1415 4.859}
{0 CHEMBL2332548,1 1.405,2 12.049,3 4.489,4 20.147,5 160.706,6 7.347,7 0.383,8 4.401,9 4.513,10 3.973,11 4.021,12 5.445,13 3.986,14 4.981,15 5.137,16 4.386,17 4.475,18 5.973,19 4.419,20 5.319,21 5.518,22 4.5,23 4.659,24 6.291,25 4.575,26 5.432,27 5.645,28 4.52,29 4.683,30 6.445,31 4.597,32 5.444,33 5.649,34 4.56,35 4.686,36 6.541,37 4.611,38 5.483,39 5.702,40 4.534,41 4.686,42 6.644,43 4.596,44 5.443,45 5.672,46 4.444,47 4.659,48 6.464,49 4.558,50 5.38,51 5.598,52 4.377,53 4.633,54 6.406,55 4.525,56 0.035,57 1.011,58 14.836,59 6.997,60 8.515,61 9.148,62 0.233,63 1.801,64 28.683,65 12.197,66 26.052,67 16.392,68 0.356,69 2.421,70 43.518,71 17.603,72 53.675,73 23.695,74 0.527,75 2.623,76 50.994,77 19.438,78 87.916,79 25.742,80 0.549,81 2.665,82 51.331,83 19.304,84 92.661,85 25.278,86 0.863,87 2.731,88 54.803,89 20.368,90 158.403,91 27.025,92 0.521,93 2.64,94 52.562,95 19.804,96 97.845,97 26.455,98 0.503,99 2.453,100 48.768,101 19.022,102 98.19,103 25.067,104 10,105 69,106 0.214,107 0.533,108 0.69,109 0.787,110 0.815,111 0.815,112 3.742,113 0.929,114 -5.08,115 -4.98,116 -4.66,121 47.3,123 4,124 1,127 3,129 1,132 1,137 2,138 2,144 14,145 3,146 1,158 1,160 2,176 23,179 1,180 11,183 1,185 2,187 26,191 1,192 10,195 1,197 3,200 23,205 1,206 14,211 3,214 19,218 2,219 17,224 2,227 20,231 3,232 15,235 2,239 21,244 17,251 22,256 11,261 2,264 26,268 1,269 7,274 2,277 32,281 3344,282 28.304,283 28.304,284 28.304,285 28.304,286 28.304,287 25.399,288 28.371,289 16.577,290 28.474,291 23.234,292 23.234,293 23.234,294 23.234,295 23.234,296 18.801,297 39.07,298 7.882,299 23.496,300 4.804,301 2.714,302 1.687,303 1.054,304 0.865,305 0.865,306 4.465,312 1,313 1118,314 3.873,317 263.463,318 487.582,320 156.095,321 138.705,325 1.562,326 43.203,329 0.75,330 0.67,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.75,337 86.5,338 494,339 4.961,340 4.379,341 8.511,342 4.851,343 3.875,344 4.253,345 2.086,346 17.408,347 3.782,348 4.402,349 3.789,350 6.489,351 4.095,352 3.096,353 3.849,354 1.946,355 10.115,356 3.097,357 3.997,358 3.586,359 6.288,360 3.73,361 2.757,362 3.555,363 0.942,364 9.17,365 2.685,366 3.989,367 3.176,368 5.994,369 3.614,370 2.631,371 3.345,372 0.827,373 8.364,374 2.571,375 3.886,376 2.798,377 5.851,378 3.572,379 2.572,380 3.316,381 0.359,382 7.549,383 2.569,384 3.775,385 2.629,386 5.541,387 3.403,388 2.396,389 3.02,390 0.357,391 7.507,392 2.409,393 3.503,394 2.559,395 5.437,396 3.27,397 2.283,398 2.63,399 0.047,400 6.803,401 2.251,402 3.382,403 2.42,404 5.304,405 2.927,406 1.931,407 2.617,409 6.079,410 1.912,411 3.146,412 2.361,413 5.084,414 2.915,415 1.918,416 2.221,418 5.614,419 1.911,420 2.925,421 2.158,422 4.96,423 2.715,424 1.738,425 2.082,427 5.241,428 1.69,429 2.901,430 1.928,431 4.472,432 2.465,433 1.461,434 1.97,436 3.643,437 1.466,438 2.839,439 1.627,440 4.193,441 2.375,442 1.376,443 1.943,445 3.19,446 1.374,447 2.795,448 1.527,449 3.683,450 2.359,451 1.354,452 1.897,454 3.109,455 1.358,456 2.587,457 1.423,458 3.639,459 2.306,460 1.304,461 1.5,463 3.005,464 1.295,465 2.5,466 1.339,467 3.585,468 2.154,469 1.155,470 1.5,472 2.938,473 1.148,474 19.7,475 0.48,476 0.981,477 0.024,478 52.25,479 1.274,480 26,481 0.634,482 26.25,483 0.64,484 42.04,485 1.025,486 42.1,487 0.569,488 46.114,489 1.125,490 10.03,491 0.245,492 10.005,493 0.244,494 0.051,495 0.025,496 0.32,501 0.614,502 1.157,503 0.769,504 0.977,505 0.496,506 0.902,507 0.666,508 1.137,509 0.901,510 1.012,511 0.525,512 0.98,513 0.911,514 1.084,515 0.985,516 1.056,517 0.853,518 1.029,519 1.328,520 1.03,521 1.029,522 0.981,523 1.364,524 0.971,525 1.436,526 1.068,527 1.06,528 1.032,529 1.453,530 1.004,531 1.277,532 0.984,533 1.032,534 0.967,535 1.321,536 0.971,537 1.331,538 0.961,539 1.046,540 0.95,541 1.275,542 0.958,543 1.37,544 0.952,545 1.118,546 0.982,547 1.405,548 1.016,549 8,550 0.439,551 4.889,552 4.111,553 2.762,554 1.734,555 1.314,556 0.643,557 0.598,558 0.464,559 27510,560 62262,561 2.199,562 44.6,564 23,567 1,568 2,569 7,572 1.813,573 2.094,574 3.532,575 -0.473,582 104,583 1.405,584 3.496,585 4.523,586 5.155,587 5.345,588 5.345,589 2.83,590 4.723,591 5.332,592 3.729,593 3058.09,594 9.462,595 51897.9,600 459.5,601 1.384,602 5.301,603 0.17,604 0.007,605 0.071,606 0.056,607 0.037,608 0.023,609 0.018,610 0.009,611 0.009,612 0.007,613 0.408,614 0.17,615 0.75,616 0.407,617 228.415,618 -0.006,619 -0.064,620 0.062,621 0.016,622 -0.007,623 0.04,624 0.073,625 -0.043,626 -0.012,627 -0.042,628 0.023,629 -0.039,630 0.015,631 -0.051,632 -0.032,633 -0.081,634 -0.01,635 -0.064,636 -0.078,637 -0.025,638 -0.024,639 -0.011,640 -0.094,641 -0.011,642 -0.065,643 -0.051,644 -0.049,645 -0.071,646 -0.054,647 -0.06,648 0.109,649 0.013,650 -0.005,651 -0.001,652 0.117,653 -0.015,654 -0.123,655 0.034,656 -0.031,657 0.022,658 -0.063,659 0.011,660 -0.168,661 0.028,662 -0.116,663 0.002,664 -0.126,665 -0.042,666 2.065,667 7.145,668 0.829,669 42.791,670 0.994,671 1.113,672 3.85,673 14.824,674 0.687,675 3.871,676 4.248,677 4.625,678 4.99,679 5.263,680 5.421,681 5.609,682 5.746,683 5.878,684 6.004,685 7.565,686 0.65,687 543.71,688 3.871,689 5.451,690 6.351,691 7.276,692 8.202,693 9.142,694 10.082,695 11.031,696 11.981,697 12.936,698 4.1,701 1,705 2,715 14,720 4,722 18,741 74,743 23,744 3,745 47,747 80,748 35,749 18,750 4,751 14,752 5,756 7,757 9,767 4,768 2,770 5,772 25,773 10,774 2,777 5,782 3,784 2,786 5,793 33,794 6,795 1,796 6,802 3,808 0.571,809 3,825 2,828 3,829 4,831 1,832 1,841 1,843 1,844 1,849 2,850 2,855 1,859 4,868 41,876 7,877 1,880 2,881 2,882 1,893 4.1,896 3,901 19.583,902 13.15,903 8.806,904 4.71,907 2.817,908 1.308,909 1.018,910 6.633,911 11.975,912 4.127,913 4.687,914 5.248,915 5.781,916 6.279,917 6.469,918 6.839,919 7.167,920 7.42,921 7.662,922 0.875,923 74,924 15.412,926 7.001,927 0.026,929 7.669,931 29.808,933 26.379,936 2.169,937 88.917,941 376.675,942 201.303,943 24.259,945 75.435,948 201.303,949 452.11,950 24.259,952 37.59,953 151.62,954 89.978,955 21.809,957 376.675,959 376.675,960 225.562,961 75.435,964 294.278,965 157.832,968 40.715,969 165.895,970 18.952,972 376.675,973 99.694,974 201.303,977 376.675,978 49.683,979 157.869,980 18.011,981 75.435,982 376.675,983 99.694,984 201.303,986 0.588,987 0.36,988 0.21,989 0.118,990 37,991 15,992 0.05,993 4,994 2,995 1.147,996 4.89,997 461.982,998 0.118,999 35,1000 193.66,1005 25.983,1006 10.467,1007 4.438,1009 99.694,1010 27.47,1015 3.709,1017 18.011,1018 677.672,1019 61,1024 41.554,1026 3.794,1028 1.151,1031 73.541,1032 82.351,1034 0.226,1035 0.563,1036 0.728,1037 0.83,1038 0.861,1039 0.861,1040 5.409,1041 1.931,1042 6.365,1043 6.803,1044 4.934,1045 5.375,1046 2.879,1047 7.298,1048 4.912,1049 6.612,1050 1.918,1051 7.997,1052 6.079,1053 4.635,1054 5.094,1055 2.371,1056 8.685,1057 4.594,1058 7.935,1059 1.738,1060 9.755,1061 5.614,1062 6.648,1063 7.468,1064 3.838,1065 11.927,1066 6.59,1067 9.297,1068 1.461,1069 11.603,1070 5.241,1071 7.273,1072 8.013,1073 3.996,1074 14.356,1075 7.189,1076 10.701,1077 1.376,1078 13.518,1079 3.643,1080 8.778,1081 9.864,1082 5.079,1083 17.272,1084 8.675,1085 12.137,1086 1.354,1087 15.487,1088 3.19,1089 9.823,1090 10.805,1091 5.512,1092 20.026,1093 9.69,1094 13.599,1095 1.304,1096 17.497,1097 3.109,1098 11.179,1099 12.432,1100 6.42,1101 22.889,1102 11.024,1103 3.875,1104 1.155,1105 19.541,1106 3.005,1107 12.403,1108 13.584,1109 6.985,1110 25.722,1111 12.218,1112 3.096,1113 17.408,1114 21.61,1115 2.938,1116 13.731,1117 15.104,1118 7.803,1119 28.579,1120 13.52,1121 2.757,1122 10.115,1123 23.698,1124 4.253,1125 15.028,1126 16.374,1127 8.438,1128 31.43,1129 14.787,1130 2.631,1131 9.17,1132 25.8,1133 3.849,1134 16.359,1135 17.843,1136 9.209,1137 34.286,1138 16.092,1139 2.572,1140 8.364,1141 27.914,1142 3.555,1143 17.685,1144 19.18,1145 9.882,1146 37.141,1147 17.39,1148 2.396,1149 7.549,1150 30.035,1151 3.345,1152 19.023,1153 20.625,1154 10.629,1155 39.998,1156 18.702,1157 2.283,1158 7.507,1159 32.161,1160 3.316,1161 20.363,1162 22.003,1163 11.323,1164 42.855,1165 20.015,1166 24874,1167 37552,1168 32.304,1169 50.802,1170 73.035,1171 75.062,1172 73.96,1173 71.79,1174 71.777,1175 90.081,1176 13.129,1177 218.129,1178 71.109,1179 5.961,1180 6.379,1181 8.313,1182 5.913,1183 5.875,1184 7.253,1185 3.624,1186 25.976,1187 5.782,1188 14.456,1189 1.554,1190 1.597,1191 1.574,1192 1.527,1193 1.527,1194 1.917,1195 0.279,1196 4.641,1197 1.513,1198 4.122,1199 4.158,1200 4.068,1201 4.021,1202 7.432,1203 4.027,1204 3.994,1205 4.021,1206 3.941,1207 3.924,1208 7.426,1209 3.924,1210 3.891,1211 3.92,1212 3.822,1213 3.842,1214 7.424,1215 3.834,1216 3.822,1217 3.868,1218 3.733,1219 3.722,1220 4.805,1221 3.717,1222 3.767,1223 3.807,1224 3.689,1225 3.65,1226 4.757,1227 3.655,1228 3.546,1229 3.587,1230 3.448,1231 3.411,1232 4.757,1233 3.408,1234 3.368,1235 3.397,1236 3.304,1237 3.204,1238 4.374,1239 3.197,1240 3.279,1241 3.325,1242 3.173,1243 3.168,1244 4.313,1245 3.191,1246 0.106,1247 0.093,1248 0.181,1249 0.103,1250 0.082,1251 4.961,1252 0.09,1253 4.379,1254 0.044,1255 8.511,1256 0.37,1257 4.851,1258 0.08,1259 3.875,1260 4.253,1261 2.086,1262 17.408,1263 3.782,1264 1.97,1265 1.947,1266 2.076,1267 2.067,1268 1.386,1269 2.069,1270 1.905,1271 1.878,1272 2.026,1273 1.981,1274 1.238,1275 1.995,1276 1.902,1277 1.878,1278 2.011,1279 1.977,1280 1.194,1281 1.992,1282 1.764,1283 1.727,1284 1.93,1285 1.907,1286 1.101,1287 1.913,1288 1.69,1289 1.649,1290 1.87,1291 1.829,1292 1.101,1293 1.848,1294 1.544,1295 1.496,1296 1.766,1297 1.744,1298 1.016,1299 1.729,1300 1.49,1301 1.423,1302 1.685,1303 1.69,1304 0.965,1305 1.717,1306 1.3,1307 1.258,1308 1.503,1309 1.493,1310 0.706,1311 1.46,1312 4.554,1314 5.916,1315 3.434,1316 7.485,1317 5.938,1318 9.156,1319 8.174,1320 10.891,1328 4.581,1329 3.132,1332 0.166,1333 4.175,1334 -0.815,1340 48.111,1341 104,1342 258.687,1343 334.687,1344 381.5,1345 395.5,1346 395.5,1347 86.737,1348 9.158,1349 69.72,1350 69.72,1351 39,1352 13.424,1353 4.585,1354 3.907,1355 53.896,1356 186,1357 185,1358 0.138,1359 286.137,1360 517.25,1361 689.934,1362 142045,1364 27.976,1365 0.682,1366 0.56,1367 27.976,1368 22.961,1369 20.035,1370 0.426,1371 0.31,1372 14.438,1373 19.596,1374 14.144,1375 11.602,1376 20.035,1377 14.552,1378 18.321,1379 0.266,1380 0.169,1381 18.321,1382 11.632,1383 16.538,1384 0.164,1385 0.092,1386 16.538,1387 9.27,1388 14.785,1389 0.101,1390 0.052,1391 14.785,1392 7.521,1393 12.435,1394 0.065,1395 0.028,1396 12.435,1397 5.45,1398 0.213,1399 123.44,1400 0.176,1401 35.88,1402 0.39,1403 232,1404 568.83,1405 246.082,1406 558.745,1407 774.72,1408 524,1409 286,1410 575.149,1411 302.053,1412 586.939,1413 873.51,1414 556,1415 4.757}
{0 CHEMBL2332549,1 1.384,2 12.14,3 5.461,4 29.821,5 170.789,6 7.147,7 0.367,8 4.469,9 4.585,10 4.016,11 4.083,12 5.496,13 4.041,14 5.055,15 5.222,16 4.437,17 4.537,18 6.02,19 4.477,20 5.375,21 5.568,22 4.571,23 4.739,24 6.348,25 4.654,26 5.527,27 5.74,28 4.58,29 4.785,30 6.525,31 4.687,32 5.557,33 5.779,34 4.611,35 4.775,36 6.597,37 4.685,38 5.552,39 5.769,40 4.615,41 4.766,42 6.703,43 4.673,44 5.568,45 5.806,46 4.527,47 4.752,48 6.578,49 4.65,50 5.459,51 5.666,52 4.473,53 4.737,54 6.49,55 4.627,56 0.047,57 1.095,58 16.717,59 7.733,60 9.832,61 10.286,62 0.264,63 1.941,64 32.303,65 13.489,66 27.7,67 18.477,68 0.37,69 2.571,70 46.409,71 18.855,72 51.636,73 25.611,74 0.542,75 2.883,76 56.319,77 21.699,78 89.898,79 29.227,80 0.605,81 2.955,82 58.911,83 22.041,84 95.086,85 29.715,86 0.841,87 2.924,88 58.717,89 21.992,90 156.112,91 29.648,92 0.702,93 2.962,94 61,95 21.879,96 116.468,97 29.547,98 0.468,99 2.666,100 52.238,101 20.777,102 92.837,103 27.69,104 26,105 73,106 0.208,107 0.536,108 0.718,109 0.8,110 0.827,111 0.832,112 3.788,113 0.942,114 -5.44,115 -5.32,116 -4.97,121 46.3,122 2,123 4,124 1,127 3,129 1,132 1,137 2,138 2,144 12,145 5,146 1,158 1,160 2,176 25,179 1,180 11,183 1,185 2,187 30,191 1,192 10,195 1,197 3,200 29,205 1,206 14,211 3,214 23,218 2,219 17,224 2,227 20,231 3,232 19,235 2,239 23,244 17,251 24,256 13,261 2,264 30,268 1,269 7,274 2,277 38,281 3844,282 29.304,283 29.304,284 29.304,285 29.304,286 29.304,287 26.293,288 33.221,289 16.862,290 29.474,291 24.156,292 24.156,293 24.156,294 24.156,295 24.156,296 19.576,297 42.011,298 7.943,299 24.418,300 4.938,301 2.759,302 1.554,303 1.007,304 0.828,305 0.794,306 4.507,313 1172,314 4,317 278.317,318 512.859,320 164.794,321 146.354,325 1.578,326 44.358,329 0.5,330 0.67,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.72,337 90.5,338 522,339 4.961,340 4.379,341 8.511,342 4.851,343 3.875,344 4.253,345 2.086,346 17.408,347 3.782,348 4.43,349 3.79,350 6.503,351 4.11,352 3.111,353 3.956,354 1.946,355 10.164,356 3.113,357 4.209,358 3.587,359 6.288,360 3.813,361 2.813,362 3.837,363 0.942,364 9.17,365 2.813,366 4.085,367 3.176,368 6.059,369 3.757,370 2.772,371 3.55,372 0.827,373 8.725,374 2.736,375 3.981,376 2.915,377 6.034,378 3.713,379 2.737,380 3.334,381 0.359,382 8.594,383 2.672,384 3.829,385 2.877,386 5.945,387 3.56,388 2.559,389 3.025,390 0.357,391 8.15,392 2.539,393 3.503,394 2.798,395 5.846,396 3.271,397 2.285,398 2.699,399 0.047,400 7.539,401 2.251,402 3.464,403 2.474,404 5.436,405 3.009,406 2.012,407 2.617,409 6.155,410 2.006,411 3.146,412 2.371,413 5.184,414 2.927,415 1.932,416 2.221,418 6.082,419 1.912,420 2.925,421 2.306,422 5.085,423 2.715,424 1.738,425 2.086,427 5.241,428 1.69,429 2.901,430 1.929,431 4.472,432 2.488,433 1.482,434 2.026,436 3.852,437 1.49,438 2.867,439 1.73,440 4.242,441 2.414,442 1.414,443 1.979,445 3.642,446 1.414,447 2.848,448 1.544,449 4.17,450 2.414,451 1.414,452 1.97,454 3.611,455 1.414,456 2.839,457 1.527,458 4.127,459 2.363,460 1.364,461 1.943,463 3.18,464 1.362,465 2.756,466 1.497,467 3.639,468 2.359,469 1.354,470 1.842,472 2.98,473 1.358,474 20.7,475 0.481,476 1.16,477 0.027,478 53.25,479 1.238,480 26,481 0.605,482 27.25,483 0.634,484 48.18,485 1.12,486 44.7,487 0.559,488 48.124,489 1.119,490 10.143,491 0.236,492 10.713,493 0.249,494 0.097,495 0.024,496 0.353,501 0.617,502 1.174,503 0.8,504 1.004,505 0.51,506 0.932,507 0.655,508 1.085,509 0.854,510 0.959,511 0.515,512 0.926,513 0.922,514 1.103,515 0.997,516 1.073,517 0.861,518 1.043,519 1.294,520 1.088,521 1.075,522 1.051,523 1.344,524 1.041,525 1.355,526 1.026,527 1.006,528 0.991,529 1.39,530 0.963,531 1.236,532 1.065,533 1.015,534 1.027,535 1.284,536 1.003,537 1.593,538 0.867,539 1.061,540 0.847,541 1.527,542 0.882,543 1.337,544 1.061,545 1.159,546 1.096,547 1.368,548 1.108,549 9,550 0.472,551 6.222,552 4.486,553 3.144,554 1.845,555 1.439,556 0.824,557 0.672,558 0.604,559 30484,560 66656,561 2.16,562 46.3,563 6,564 21,567 1,568 2,569 7,572 1.825,573 2.024,574 3.526,575 -0.485,582 110.745,583 1.384,584 3.563,585 4.768,586 5.315,587 5.494,588 5.528,589 2.81,590 4.833,591 5.402,592 3.739,593 3376.14,594 9.605,595 59348.3,600 505.754,601 1.512,602 5.356,603 0.184,604 0.007,605 0.085,606 0.056,607 0.04,608 0.023,609 0.018,610 0.011,611 0.01,612 0.009,613 0.442,614 0.17,615 0.63,616 0.487,617 242.668,618 -0.001,619 -0.061,620 0.063,621 0.016,622 -0.014,623 0.04,624 0.092,625 0.015,626 0.06,627 0.03,628 0.036,629 0.039,630 0.014,631 -0.055,632 -0.045,633 -0.087,634 -0.008,635 -0.074,636 -0.074,637 -0.078,638 -0.078,639 -0.075,640 -0.101,641 -0.077,642 -0.031,643 -0.018,644 0.01,645 -0.024,646 -0.043,647 -0.005,648 0.149,649 -0.063,650 0.004,651 -0.059,652 0.156,653 -0.047,654 -0.183,655 0.139,656 -0.025,657 0.11,658 -0.111,659 0.071,660 -0.149,661 -0.066,662 -0.173,663 -0.107,664 -0.099,665 -0.136,666 2.071,667 7.279,668 0.791,669 45.735,670 0.991,671 1.115,672 4.206,673 17.693,674 0.679,675 3.912,676 4.304,677 4.682,678 5.03,679 5.303,680 5.464,681 5.645,682 5.784,683 5.927,684 6.059,685 7.718,686 0.64,687 571.77,688 3.912,689 5.501,690 6.405,691 7.332,692 8.261,693 9.2,694 10.14,695 11.087,696 12.035,697 12.989,698 3.8,701 1,705 2,715 12,720 6,722 18,741 80,743 23,744 3,745 49,747 86,748 37,749 18,750 6,751 12,752 5,756 7,757 9,763 2,767 4,768 2,770 5,772 25,773 12,774 2,777 5,782 3,784 2,786 5,793 37,794 6,795 1,796 6,802 3,808 0.571,809 3,825 2,828 3,829 4,831 1,832 1,841 1,843 1,844 1,849 2,850 2,855 1,859 4,864 2,868 43,876 7,877 1,880 2,881 2,882 1,893 3.8,896 3,901 21.25,902 14.983,903 9.194,904 5.113,907 2.907,908 1.313,909 1.009,910 7.098,911 12.179,912 4.159,913 4.741,914 5.31,915 5.84,916 6.338,917 6.55,918 6.886,919 7.221,920 7.497,921 7.768,922 0.875,923 80,924 16.17,926 7.307,927 0.026,929 7.645,931 31.357,933 27.675,936 2.145,937 92.25,941 423.76,942 206.372,943 24.259,945 75.435,948 206.372,949 499.194,950 24.259,951 17.65,952 37.59,953 132.667,954 89.978,955 28.18,957 423.76,959 423.76,960 230.631,961 75.435,964 341.362,965 157.832,968 58.365,969 153.314,970 18.952,972 423.76,973 99.694,974 206.372,977 423.76,978 56.054,979 156.567,980 18.011,981 75.435,982 423.76,983 99.694,984 206.372,986 0.595,987 0.368,988 0.208,989 0.116,990 39,991 17,992 0.047,993 4,994 2,995 1.147,996 4.949,997 494.942,998 0.118,999 35,1000 209.329,1005 27.859,1006 10.956,1007 4.657,1009 99.694,1010 23.938,1015 5.962,1017 18.011,1018 729.825,1019 63,1024 41.974,1026 3.882,1028 1.183,1031 79.309,1032 89.182,1034 0.219,1035 0.564,1036 0.754,1037 0.841,1038 0.869,1039 0.874,1040 5.453,1041 2.012,1042 6.431,1043 7.539,1044 4.99,1045 5.429,1046 2.879,1047 7.371,1048 4.969,1049 6.669,1050 1.932,1051 8.073,1052 6.155,1053 4.745,1054 5.247,1055 2.371,1056 8.749,1057 4.709,1058 8.003,1059 1.738,1060 9.837,1061 6.082,1062 6.718,1063 7.556,1064 3.838,1065 11.979,1066 6.664,1067 9.375,1068 1.482,1069 11.684,1070 5.241,1071 7.366,1072 8.187,1073 3.996,1074 14.385,1075 7.29,1076 10.787,1077 1.414,1078 13.593,1079 3.852,1080 8.848,1081 9.992,1082 5.079,1083 17.292,1084 8.753,1085 12.228,1086 1.414,1087 15.553,1088 3.642,1089 9.895,1090 10.999,1091 5.512,1092 20.035,1093 9.772,1094 13.693,1095 1.364,1096 17.554,1097 3.611,1098 11.237,1099 12.597,1100 6.42,1101 22.895,1102 11.091,1103 3.875,1104 1.354,1105 19.587,1106 3.18,1107 12.454,1108 13.791,1109 6.985,1110 25.725,1111 12.278,1112 3.111,1113 17.408,1114 21.647,1115 2.98,1116 13.772,1117 15.293,1118 7.803,1119 28.58,1120 13.57,1121 2.813,1122 10.164,1123 23.727,1124 4.253,1125 15.06,1126 16.587,1127 8.438,1128 31.43,1129 14.829,1130 2.772,1131 9.17,1132 25.823,1133 3.956,1134 16.384,1135 18.043,1136 9.209,1137 34.287,1138 16.125,1139 2.737,1140 8.725,1141 27.93,1142 3.837,1143 17.705,1144 19.391,1145 9.882,1146 37.142,1147 17.417,1148 2.559,1149 8.594,1150 30.047,1151 3.55,1152 19.039,1153 20.826,1154 10.629,1155 39.998,1156 18.724,1157 2.285,1158 8.15,1159 32.17,1160 3.334,1161 20.375,1162 22.206,1163 11.323,1164 42.855,1165 20.032,1166 27778,1167 41218,1168 33.115,1169 54.324,1170 76.315,1171 78.414,1172 78.835,1173 75.161,1174 75.178,1175 93.894,1176 13.129,1177 231.963,1178 74.504,1179 5.961,1180 6.379,1181 8.199,1182 5.913,1183 5.875,1184 7.253,1185 3.624,1186 25.976,1187 5.782,1188 19.714,1189 1.557,1190 1.6,1191 1.609,1192 1.534,1193 1.534,1194 1.916,1195 0.268,1196 4.734,1197 1.52,1198 4.125,1199 4.161,1200 4.071,1201 4.025,1202 7.432,1203 4.031,1204 4.008,1205 4.034,1206 3.956,1207 3.942,1208 7.426,1209 3.941,1210 3.918,1211 3.945,1212 3.854,1213 3.873,1214 7.424,1215 3.865,1216 3.824,1217 3.869,1218 3.74,1219 3.723,1220 4.799,1221 3.719,1222 3.781,1223 3.821,1224 3.702,1225 3.662,1226 4.753,1227 3.668,1228 3.547,1229 3.589,1230 3.449,1231 3.412,1232 4.744,1233 3.408,1234 3.369,1235 3.397,1236 3.304,1237 3.204,1238 4.373,1239 3.197,1240 3.279,1241 3.325,1242 3.174,1243 3.168,1244 4.314,1245 3.191,1246 0.101,1247 0.089,1248 0.174,1249 0.099,1250 0.079,1251 4.961,1252 0.087,1253 4.379,1254 0.043,1255 8.511,1256 0.355,1257 4.851,1258 0.077,1259 3.875,1260 4.253,1261 2.086,1262 17.408,1263 3.782,1264 1.986,1265 1.963,1266 2.09,1267 2.075,1268 1.386,1269 2.079,1270 1.931,1271 1.906,1272 2.05,1273 2,1274 1.257,1275 2.019,1276 1.903,1277 1.878,1278 2.012,1279 1.983,1280 1.197,1281 1.993,1282 1.773,1283 1.737,1284 1.933,1285 1.917,1286 1.167,1287 1.921,1288 1.693,1289 1.652,1290 1.878,1291 1.834,1292 1.106,1293 1.853,1294 1.545,1295 1.496,1296 1.767,1297 1.744,1298 1.06,1299 1.729,1300 1.49,1301 1.423,1302 1.685,1303 1.69,1304 0.967,1305 1.717,1306 1.3,1307 1.258,1308 1.555,1309 1.493,1310 0.716,1311 1.471,1312 4.595,1314 5.969,1315 3.434,1316 7.546,1317 5.938,1318 9.224,1319 8.174,1320 10.961,1322 4.061,1328 4.571,1329 3.142,1332 0.157,1333 4.199,1334 -0.821,1340 51.164,1341 110.745,1342 285.06,1343 381.45,1344 425.225,1345 439.49,1346 442.244,1347 94.455,1348 9.272,1349 69.72,1350 69.72,1351 39,1352 13.477,1353 4.585,1354 3.907,1355 57.757,1356 198,1357 187,1358 0.138,1359 305.321,1360 551.85,1361 736.744,1362 162859,1364 29.717,1365 0.691,1366 0.577,1367 29.717,1368 24.807,1369 20.856,1370 0.426,1371 0.314,1372 15.272,1373 20.417,1374 14.838,1375 12.222,1376 20.856,1377 15.386,1378 19.357,1379 0.265,1380 0.172,1381 19.357,1382 12.524,1383 17.605,1384 0.165,1385 0.094,1386 17.605,1387 10.025,1388 15.347,1389 0.101,1390 0.052,1391 15.347,1392 7.893,1393 12.88,1394 0.064,1395 0.029,1396 12.88,1397 5.731,1398 0.213,1399 128.368,1400 0.174,1401 37.181,1402 0.391,1403 244,1404 584.83,1405 258.082,1406 575.906,1407 800.78,1408 540,1409 302,1410 597.149,1411 318.053,1412 611.481,1413 909.79,1414 578,1415 4.904}
{0 CHEMBL2332550,1 1.457,2 12.267,3 4.456,4 19.853,5 173.633,6 7.363,7 0.353,8 4.506,9 4.613,10 4.074,11 4.08,12 5.571,13 4.056,14 5.087,15 5.246,16 4.477,17 4.522,18 6.087,19 4.481,20 5.379,21 5.563,22 4.627,23 4.721,24 6.389,25 4.659,26 5.527,27 5.723,28 4.65,29 4.787,30 6.565,31 4.713,32 5.582,33 5.786,34 4.672,35 4.811,36 6.652,37 4.73,38 5.627,39 5.848,40 4.679,41 4.794,42 6.785,43 4.707,44 5.564,45 5.786,46 4.615,47 4.763,48 6.599,49 4.679,50 5.554,51 5.765,52 4.568,53 4.752,54 6.638,55 4.666,56 0.012,57 1.129,58 16.711,59 7.919,60 10.188,61 10.072,62 0.33,63 1.96,64 33.162,65 13.48,66 35.428,67 17.604,68 0.354,69 2.548,70 45.927,71 18.494,72 56.908,73 24.414,74 0.605,75 2.843,76 55.614,77 21.075,78 96.651,79 27.493,80 0.572,81 3.01,82 58.964,83 22.301,84 98.587,85 29.482,86 1.229,87 3.059,88 64.302,89 23.307,90 185.041,91 31.369,92 0.54,93 2.926,94 59.217,95 21.901,96 103.044,97 29.366,98 0.984,99 2.832,100 59.431,101 21.392,102 143.653,103 27.826,104 30,105 75,106 0.218,107 0.551,108 0.727,109 0.812,110 0.833,111 0.833,112 3.832,113 0.918,114 -4.46,115 -4.39,116 -4.14,121 45.1,123 4,124 1,126 2,127 3,129 1,132 1,137 2,138 2,144 12,145 3,146 3,158 1,160 2,176 19,179 1,180 15,183 1,185 2,187 20,191 1,192 16,195 1,197 3,200 19,205 1,206 18,211 3,214 19,218 2,219 13,224 2,227 18,231 7,232 17,235 2,239 19,244 17,251 18,255 2,256 15,261 2,264 21,268 1,269 11,274 2,277 26,281 4422,282 31.045,283 31.045,284 31.045,285 31.045,286 31.045,287 28.139,288 36.997,289 17.901,290 31.558,291 25.031,292 25.031,293 25.031,294 25.031,295 25.031,296 20.429,297 48.372,298 8.24,299 25.653,300 4.901,301 2.682,302 1.507,303 0.939,304 0.799,305 0.799,306 4.551,312 1,313 1230,314 4.243,317 293.809,318 539.808,320 173.836,321 154.358,325 1.627,326 52.59,329 0.75,330 0.67,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.75,337 96.5,338 552,339 4.961,340 4.379,341 8.511,342 4.851,343 3.875,344 4.253,345 2.086,346 17.408,347 3.782,348 4.435,349 3.79,350 6.507,351 4.111,352 3.115,353 3.968,354 1.946,355 10.188,356 3.109,357 4.236,358 3.588,359 6.288,360 3.827,361 2.854,362 3.86,363 0.942,364 9.172,365 2.777,366 4.111,367 3.176,368 6.157,369 3.767,370 2.797,371 3.565,372 0.86,373 9.108,374 2.711,375 3.982,376 3.049,377 6.109,378 3.717,379 2.748,380 3.334,381 0.86,382 8.903,383 2.664,384 3.831,385 3.025,386 5.975,387 3.564,388 2.569,389 3.025,390 0.827,391 8.258,392 2.536,393 3.503,394 2.798,395 5.848,396 3.271,397 2.285,398 2.71,399 0.359,400 7.541,401 2.251,402 3.478,403 2.481,404 5.436,405 3.021,406 2.038,407 2.617,408 0.357,409 6.279,410 2.002,411 3.146,412 2.373,413 5.213,414 2.927,415 1.932,416 2.221,417 0.047,418 6.083,419 1.912,420 2.929,421 2.36,422 5.085,423 2.716,424 1.738,425 2.096,427 5.241,428 1.69,429 2.917,430 1.946,431 4.472,432 2.529,433 1.572,434 2.087,436 4.203,437 1.502,438 2.917,439 1.913,440 4.405,441 2.47,442 1.515,443 2.051,445 3.915,446 1.439,447 2.901,448 1.81,449 4.299,450 2.446,451 1.451,452 1.97,454 3.643,455 1.434,456 2.839,457 1.591,458 4.187,459 2.37,460 1.373,461 1.943,463 3.182,464 1.367,465 2.77,466 1.527,467 3.643,468 2.359,469 1.354,470 1.857,472 3.046,473 1.358,474 21.367,475 0.475,476 1.084,477 0.024,478 56.25,479 1.25,480 27,481 0.6,482 29.25,483 0.65,484 49.101,485 1.091,486 47.633,487 0.581,488 53.477,489 1.188,490 11.03,491 0.245,492 10.902,493 0.242,494 0.094,495 0.023,496 0.342,501 0.701,502 1.24,503 0.768,504 1.067,505 0.525,506 0.947,507 0.917,508 1.055,509 0.881,510 0.92,511 0.595,512 0.893,513 0.904,514 1.104,515 0.947,516 1.062,517 0.867,518 1.014,519 1.232,520 1.068,521 1.07,522 1.022,523 1.365,524 1.02,525 1.119,526 1.116,527 1.056,528 1.092,529 1.372,530 1.066,531 0.949,532 0.964,533 0.954,534 0.951,535 1.172,536 0.954,537 1.105,538 1.03,539 0.979,540 0.993,541 1.273,542 0.965,543 1.375,544 0.882,545 1.133,546 0.902,547 1.559,548 0.964,549 9,550 0.488,551 6.222,552 4.486,553 3.224,554 1.97,555 1.521,556 0.855,557 0.762,558 0.604,559 33930,560 81474,561 2.153,562 45.1,564 27,567 1,568 2,569 7,572 1.836,573 2.022,574 3.542,575 -0.451,582 119.455,583 1.457,584 3.675,585 4.851,586 5.418,587 5.559,588 5.559,589 2.839,590 4.881,591 5.467,592 3.768,593 3730.09,594 9.74,595 67997.1,600 521.319,601 1.486,602 5.424,603 0.176,604 0.006,605 0.083,606 0.053,607 0.038,608 0.023,609 0.018,610 0.011,611 0.01,612 0.008,613 0.428,614 0.17,615 0.75,616 0.674,617 257.397,618 -0.011,619 -0.109,620 0.067,621 -0.028,622 -0.006,623 0.021,624 -0.021,625 0.05,626 0.031,627 0.074,628 0.007,629 0.062,630 -0.013,631 -0.046,632 -0.011,633 -0.069,634 0.002,635 -0.043,636 -0.12,637 -0.046,638 -0.09,639 -0.041,640 -0.116,641 -0.058,642 -0.063,643 -0.095,644 -0.075,645 -0.115,646 -0.077,647 -0.099,648 0.206,649 0.026,650 0.062,651 0.02,652 0.177,653 0.016,654 -0.077,655 -0.025,656 0.016,657 -0.018,658 -0.044,659 0.011,660 -0.116,661 0.115,662 -0.117,663 0.069,664 -0.113,665 -0.006,666 2.106,667 7.342,668 0.756,669 49.404,670 1,671 1.117,672 3.235,673 10.464,674 0.674,675 3.951,676 4.331,677 4.718,678 5.069,679 5.333,680 5.497,681 5.68,682 5.814,683 5.958,684 6.1,685 7.938,686 0.641,687 603.77,688 3.951,689 5.533,690 6.438,691 7.363,692 8.291,693 9.229,694 10.169,695 11.114,696 12.062,697 13.014,698 3.7,701 1,705 2,715 12,720 6,722 18,739 2,741 82,743 23,744 3,745 51,747 88,748 37,749 18,750 6,751 12,752 5,756 7,757 9,767 4,768 2,770 5,772 25,773 12,774 2,777 5,782 3,784 2,786 5,793 37,794 8,795 1,796 8,802 3,808 0.571,809 5,825 2,828 3,829 4,831 1,832 1,841 1,843 1,844 1,849 2,850 2,855 1,859 4,864 2,868 45,876 7,877 1,878 2,880 2,881 2,882 1,893 6.1,896 3,898 2,901 22.25,902 15.317,903 9.861,904 5.029,907 2.978,908 1.318,909 0.995,910 7.948,911 12.354,912 4.19,913 4.758,914 5.339,915 5.874,916 6.372,917 6.595,918 6.94,919 7.253,920 7.536,921 7.823,922 0.875,923 84,924 16.895,926 7.584,927 0.026,929 7.706,931 32.426,933 28.163,936 2.206,937 99.25,941 423.76,942 214.603,943 24.259,945 97.435,948 214.603,949 521.194,950 24.259,951 21.766,952 37.59,953 132.667,954 89.978,955 54.296,957 423.76,959 423.76,960 238.862,961 97.435,964 341.362,965 179.832,968 40.715,969 179.195,970 18.952,972 423.76,973 121.694,974 214.603,977 423.76,978 60.169,979 160.682,980 18.011,981 97.435,982 423.76,983 121.694,984 214.603,986 0.586,987 0.371,988 0.215,989 0.117,990 39,991 17,992 0.068,993 6,994 2,995 1.147,996 5.062,997 524.576,998 0.118,999 35,1000 225.133,1005 29.672,1006 12.054,1007 5.037,1009 121.694,1010 22.948,1015 4.638,1017 18.011,1018 760.057,1019 65,1024 42.165,1026 3.648,1028 0.796,1031 81.963,1032 91.6,1034 0.229,1035 0.578,1036 0.763,1037 0.852,1038 0.874,1039 0.874,1040 5.479,1041 2.038,1042 6.457,1043 7.541,1044 5.017,1045 5.447,1046 3.033,1047 7.396,1048 4.975,1049 6.687,1050 1.932,1051 8.097,1052 6.279,1053 4.745,1054 5.247,1055 2.371,1056 8.772,1057 4.687,1058 8.018,1059 1.738,1060 9.858,1061 6.083,1062 6.742,1063 7.571,1064 3.885,1065 11.999,1066 6.659,1067 9.39,1068 1.572,1069 11.704,1070 5.241,1071 7.378,1072 8.2,1073 3.996,1074 14.398,1075 7.273,1076 10.801,1077 1.515,1078 13.612,1079 4.203,1080 8.868,1081 10.007,1082 5.089,1083 17.302,1084 8.742,1085 12.243,1086 1.451,1087 15.57,1088 3.915,1089 9.909,1090 11.017,1091 5.512,1092 20.041,1093 9.758,1094 13.708,1095 1.373,1096 17.568,1097 3.643,1098 11.252,1099 12.614,1100 6.422,1101 22.899,1102 11.079,1103 3.875,1104 1.354,1105 19.6,1106 3.182,1107 12.466,1108 13.812,1109 6.985,1110 25.727,1111 12.267,1112 3.115,1113 17.408,1114 21.657,1115 3.046,1116 13.782,1117 15.313,1118 7.804,1119 28.581,1120 13.56,1121 2.854,1122 10.188,1123 23.735,1124 4.253,1125 15.069,1126 16.609,1127 8.438,1128 31.431,1129 14.82,1130 2.797,1131 9.172,1132 25.829,1133 3.968,1134 16.392,1135 18.065,1136 9.209,1137 34.287,1138 16.118,1139 2.748,1140 9.108,1141 27.936,1142 3.86,1143 17.711,1144 19.415,1145 9.882,1146 37.142,1147 17.411,1148 2.569,1149 8.903,1150 30.051,1151 3.565,1152 19.044,1153 20.85,1154 10.629,1155 39.998,1156 18.719,1157 2.285,1158 8.258,1159 32.174,1160 3.334,1161 20.379,1162 22.231,1163 11.323,1164 42.855,1165 20.028,1166 31128,1167 48370,1168 34.501,1169 55.233,1170 78.598,1171 81.249,1172 81.716,1173 77.454,1174 77.523,1175 96.212,1176 16.569,1177 237.816,1178 75.875,1179 5.961,1180 6.379,1181 8.206,1182 5.913,1183 5.875,1184 7.253,1185 3.624,1186 25.976,1187 5.782,1188 20.489,1189 1.541,1190 1.593,1191 1.602,1192 1.519,1193 1.52,1194 1.887,1195 0.325,1196 4.663,1197 1.488,1198 4.124,1199 4.16,1200 4.07,1201 4.022,1202 7.432,1203 4.028,1204 4.001,1205 4.024,1206 3.954,1207 3.925,1208 7.426,1209 3.928,1210 3.905,1211 3.924,1212 3.85,1213 3.843,1214 7.424,1215 3.841,1216 3.823,1217 3.868,1218 3.739,1219 3.722,1220 4.894,1221 3.718,1222 3.775,1223 3.811,1224 3.701,1225 3.651,1226 4.856,1227 3.659,1228 3.547,1229 3.588,1230 3.449,1231 3.411,1232 4.764,1233 3.408,1234 3.369,1235 3.397,1236 3.304,1237 3.204,1238 4.417,1239 3.197,1240 3.279,1241 3.325,1242 3.174,1243 3.168,1244 4.393,1245 3.191,1246 0.097,1247 0.086,1248 0.167,1249 0.095,1250 0.076,1251 4.961,1252 0.083,1253 4.379,1254 0.041,1255 8.511,1256 0.341,1257 4.851,1258 0.074,1259 3.875,1260 4.253,1261 2.086,1262 17.408,1263 3.782,1264 1.966,1265 1.947,1266 2.062,1267 2.069,1268 1.386,1269 2.066,1270 1.902,1271 1.88,1272 2.01,1273 1.985,1274 1.24,1275 1.991,1276 1.899,1277 1.878,1278 2.005,1279 1.981,1280 1.194,1281 1.991,1282 1.763,1283 1.728,1284 1.929,1285 1.911,1286 1.103,1287 1.913,1288 1.689,1289 1.649,1290 1.866,1291 1.832,1292 1.101,1293 1.848,1294 1.544,1295 1.496,1296 1.766,1297 1.744,1298 1.016,1299 1.729,1300 1.49,1301 1.423,1302 1.685,1303 1.69,1304 0.965,1305 1.717,1306 1.3,1307 1.258,1308 1.574,1309 1.515,1310 0.706,1311 1.534,1312 4.635,1314 5.999,1315 3.434,1316 7.573,1317 5.938,1318 9.25,1319 8.174,1320 10.986,1322 3.2,1328 4.264,1329 3.13,1330 11.113,1332 0.088,1333 4.117,1334 -0.856,1340 52.594,1341 119.455,1342 301.379,1343 397.77,1344 444.3,1345 455.809,1346 455.809,1347 103.048,1348 9.377,1349 88.18,1350 88.18,1351 39,1352 13.503,1353 4.585,1354 3.907,1355 61.739,1356 212,1357 195,1358 0.137,1359 313.314,1360 569.43,1361 756.246,1362 185089,1364 31.131,1365 0.692,1366 0.569,1367 31.131,1368 25.623,1369 21.932,1370 0.43,1371 0.306,1372 15.413,1373 21.186,1374 15.033,1375 12.369,1376 21.932,1377 15.61,1378 19.739,1379 0.263,1380 0.164,1381 19.739,1382 12.294,1383 18.209,1384 0.164,1385 0.089,1386 18.209,1387 9.926,1388 16.125,1389 0.102,1390 0.05,1391 16.125,1392 7.967,1393 13.341,1394 0.065,1395 0.028,1396 13.341,1397 5.711,1398 0.211,1399 137.055,1400 0.17,1401 38.531,1402 0.387,1403 252,1404 680.301,1405 271.839,1406 651.04,1407 896.58,1408 612,1409 312,1410 658.239,1411 334.033,1412 669.624,1413 994.75,1414 630,1415 4.8}
{0 CHEMBL2332974,1 1.552,2 12.14,3 5.817,4 33.841,5 170.316,6 8.278,7 0.367,8 4.408,9 4.511,10 4.075,11 4.052,12 5.475,13 4.016,14 4.99,15 5.136,16 4.519,17 4.513,18 6.019,19 4.458,20 5.331,21 5.517,22 4.679,23 4.713,24 6.361,25 4.629,26 5.445,27 5.643,28 4.651,29 4.732,30 6.505,31 4.643,32 5.452,33 5.648,34 4.678,35 4.723,36 6.566,37 4.647,38 5.497,39 5.7,40 4.738,41 4.73,42 6.737,43 4.644,44 5.451,45 5.671,46 4.628,47 4.707,48 6.5,49 4.609,50 5.399,51 5.595,52 4.606,53 4.691,54 6.526,55 4.586,56 0.021,57 0.987,58 12.597,59 6.653,60 9.445,61 8.455,62 0.215,63 1.765,64 26.232,65 11.944,66 28.675,67 15.47,68 0.385,69 2.371,70 44.999,71 17.926,72 64.788,73 23.011,74 0.636,75 2.57,76 56.61,77 20.269,78 108.894,79 25.24,80 0.596,81 2.634,82 52.205,83 19.833,84 101.422,85 24.663,86 1.133,87 2.674,88 61.486,89 21.235,90 190.29,91 26.651,92 0.575,93 2.611,94 54.209,95 20.5,96 104.594,97 26.099,98 0.76,99 2.39,100 57.014,101 19.907,102 132.676,103 24.578,104 26,105 73,106 0.237,107 0.568,108 0.729,109 0.825,110 0.848,111 0.848,112 3.788,113 0.95,114 -5.97,115 -5.83,116 -5.42,121 47.3,123 4,124 1,127 3,129 1,132 1,137 2,138 2,144 12,145 3,146 3,158 1,160 2,176 19,179 1,180 11,183 1,185 2,187 24,191 1,192 10,195 1,197 3,200 25,205 1,206 14,211 3,214 23,218 2,219 13,224 2,227 18,231 3,232 19,235 2,239 21,244 15,251 20,256 13,261 2,264 25,268 1,269 7,274 2,277 30,281 3844,282 29.304,283 29.304,284 29.304,285 29.304,286 29.304,287 26.293,288 31.573,289 16.862,290 29.695,291 24.156,292 24.156,293 24.156,294 24.156,295 24.156,296 19.576,297 40.352,298 7.943,299 24.891,300 4.657,301 2.484,302 1.433,303 0.804,304 0.649,305 0.649,306 4.507,308 2,313 1172,314 4,317 278.317,318 512.859,320 164.794,321 146.354,325 1.578,326 52.956,329 0.5,330 0.5,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.7,337 91.167,338 522,339 4.961,340 4.379,341 8.511,342 4.851,343 3.875,344 4.253,345 2.086,346 17.408,347 3.782,348 4.43,349 3.79,350 6.503,351 4.106,352 3.111,353 3.956,354 1.946,355 10.164,356 3.101,357 4.209,358 3.588,359 6.288,360 3.764,361 2.813,362 3.837,363 0.942,364 9.17,365 2.687,366 4.085,367 3.176,368 6.059,369 3.739,370 2.772,371 3.55,372 0.827,373 8.725,374 2.656,375 3.981,376 3.122,377 6.034,378 3.69,379 2.737,380 3.334,381 0.359,382 8.594,383 2.591,384 3.829,385 3.1,386 5.945,387 3.547,388 2.559,389 3.025,390 0.357,391 8.15,392 2.492,393 3.503,394 2.798,395 5.846,396 3.271,397 2.285,398 2.699,399 0.047,400 7.539,401 2.251,402 3.464,403 2.482,404 5.436,405 2.989,406 2.012,407 2.617,409 6.155,410 1.95,411 3.146,412 2.373,413 5.184,414 2.927,415 1.932,416 2.221,418 6.082,419 1.912,420 2.925,421 2.363,422 5.085,423 2.715,424 1.738,425 2.086,427 5.241,428 1.69,429 2.901,430 1.934,431 4.472,432 2.473,433 1.482,434 2.026,436 3.852,437 1.469,438 2.867,439 1.875,440 4.242,441 2.382,442 1.414,443 1.979,445 3.642,446 1.376,447 2.848,448 1.738,449 4.17,450 2.359,451 1.414,452 1.97,454 3.611,455 1.358,456 2.839,457 1.569,458 4.127,459 2.342,460 1.364,461 1.943,463 3.18,464 1.296,465 2.756,466 1.527,467 3.639,468 2.318,469 1.354,470 1.842,472 2.98,473 1.232,474 21.129,475 0.491,476 1.16,477 0.027,478 53.75,479 1.25,480 26,481 0.605,482 27.75,483 0.645,484 47.903,485 1.114,486 44.271,487 0.598,488 48.401,489 1.126,490 10.206,491 0.237,492 10.65,493 0.248,494 0.115,495 0.024,496 0.346,501 0.579,502 1.156,503 0.585,504 0.882,505 0.489,506 0.845,507 0.63,508 1.133,509 0.679,510 0.911,511 0.515,512 0.917,513 0.888,514 1.079,515 0.849,516 0.987,517 0.831,518 0.988,519 1.27,520 1.036,521 1.014,522 0.998,523 1.342,524 0.999,525 1.25,526 1.073,527 0.836,528 0.98,529 1.385,530 0.985,531 1.052,532 1.002,533 0.907,534 1.004,535 1.199,536 0.986,537 1.147,538 0.956,539 0.764,540 0.854,541 1.203,542 0.899,543 1.238,544 0.958,545 1.1,546 1.032,547 1.309,548 1.043,549 9,550 0.472,551 6.222,552 4.486,553 3.144,554 1.845,555 1.439,556 0.824,557 0.672,558 0.604,559 30484,560 81164,561 2.16,562 41.9,564 21,567 1,568 2,569 7,572 1.825,573 2.024,574 3.526,575 -0.438,582 114.885,583 1.552,584 3.725,585 4.776,586 5.405,587 5.561,588 5.561,589 2.81,590 4.833,591 5.402,592 3.739,593 3376.14,594 9.605,595 59348.3,600 459.5,601 1.512,602 5.356,603 0.184,604 0.007,605 0.085,606 0.056,607 0.04,608 0.023,609 0.018,610 0.011,611 0.01,612 0.009,613 0.442,614 0.17,615 0.63,616 0.487,617 242.668,618 -0.017,619 -0.065,620 0.025,621 0.011,622 -0.008,623 0.034,624 0.047,625 -0.036,626 0.014,627 -0.009,628 0.031,629 -0.016,630 -0.012,631 -0.043,632 -0.002,633 -0.04,634 0.003,635 -0.038,636 -0.129,637 -0.028,638 -0.093,639 -0.037,640 -0.12,641 -0.043,642 -0.087,643 -0.046,644 -0.031,645 -0.044,646 -0.083,647 -0.047,648 0.188,649 0.001,650 0.023,651 -0.042,652 0.169,653 -0.028,654 -0.1,655 0.051,656 0.062,657 0.101,658 -0.063,659 0.075,660 -0.086,661 0.021,662 -0.102,663 -0.047,664 -0.062,665 -0.071,666 2.106,667 7.227,668 0.791,669 45.735,670 1.003,671 1.111,672 4.742,673 22.489,674 0.71,675 3.912,676 4.304,677 4.682,678 5.03,679 5.303,680 5.464,681 5.645,682 5.784,683 5.927,684 6.059,685 7.718,686 0.673,687 612.59,688 3.912,689 5.501,690 6.405,691 7.332,692 8.261,693 9.2,694 10.14,695 11.087,696 12.035,697 12.989,698 4.1,701 1,705 2,715 12,720 6,722 18,740 2,741 74,743 23,744 3,745 49,747 80,748 35,749 18,750 6,751 12,752 5,756 7,757 9,758 2,767 4,768 2,770 5,772 25,773 10,774 2,777 5,782 3,784 2,786 5,793 31,794 6,795 1,796 8,797 2,802 3,808 0.571,809 3,825 2,828 3,829 4,831 1,832 1,841 1,843 1,844 1,849 2,850 2,855 1,859 4,865 2,868 43,876 7,877 1,880 2,881 2,882 1,892 2,893 4.1,896 3,901 21.25,902 13.269,903 9.194,904 4.684,907 2.907,908 1.313,909 1.014,910 7.448,911 12.179,912 4.159,913 4.741,914 5.31,915 5.84,916 6.338,917 6.55,918 6.886,919 7.221,920 7.497,921 7.768,922 0.875,923 80,924 16.153,926 7.377,927 0.026,929 7.744,931 30.929,933 27.343,936 2.244,937 96.472,941 353.133,942 189.351,943 24.259,944 78.297,945 75.435,948 189.351,949 506.865,950 24.259,952 37.59,953 132.667,954 89.978,955 28.81,957 353.133,958 78.297,959 353.133,960 213.611,961 75.435,962 78.297,964 270.735,965 157.832,968 40.715,969 153.944,970 97.25,972 353.133,973 99.694,974 267.649,977 353.133,978 56.684,979 138.916,980 18.011,981 153.732,982 353.133,983 99.694,984 267.649,986 0.595,987 0.368,988 0.208,989 0.116,990 39,991 17,992 0.05,993 4,994 2,995 1.147,996 4.949,997 494.942,998 0.118,999 35,1000 213.329,1005 28.397,1006 11.279,1007 4.824,1009 99.694,1010 22.544,1015 4.289,1017 18.011,1018 720.476,1019 63,1024 41.811,1026 3.552,1028 0.716,1031 74.189,1032 82.239,1034 0.25,1035 0.6,1036 0.769,1037 0.87,1038 0.896,1039 0.896,1040 5.453,1041 2.012,1042 6.431,1043 7.539,1044 4.99,1045 5.429,1046 2.879,1047 7.371,1048 4.935,1049 6.669,1050 1.932,1051 8.073,1052 6.155,1053 4.745,1054 5.247,1055 2.371,1056 8.749,1057 4.642,1058 8.003,1059 1.738,1060 9.837,1061 6.082,1062 6.718,1063 7.556,1064 3.838,1065 11.979,1066 6.615,1067 9.375,1068 1.482,1069 11.684,1070 5.241,1071 7.366,1072 8.187,1073 3.996,1074 14.385,1075 7.224,1076 10.787,1077 1.414,1078 13.593,1079 3.852,1080 8.848,1081 9.992,1082 5.079,1083 17.292,1084 8.699,1085 12.228,1086 1.414,1087 15.553,1088 3.642,1089 9.895,1090 10.999,1091 5.512,1092 20.035,1093 9.715,1094 13.693,1095 1.364,1096 17.554,1097 3.611,1098 11.237,1099 12.597,1100 6.42,1101 22.895,1102 11.043,1103 3.875,1104 1.354,1105 19.587,1106 3.18,1107 12.454,1108 13.791,1109 6.985,1110 25.725,1111 12.235,1112 3.111,1113 17.408,1114 21.647,1115 2.98,1116 13.772,1117 15.293,1118 7.803,1119 28.58,1120 13.533,1121 2.813,1122 10.164,1123 23.727,1124 4.253,1125 15.06,1126 16.587,1127 8.438,1128 31.43,1129 14.798,1130 2.772,1131 9.17,1132 25.823,1133 3.956,1134 16.384,1135 18.043,1136 9.209,1137 34.287,1138 16.1,1139 2.737,1140 8.725,1141 27.93,1142 3.837,1143 17.705,1144 19.391,1145 9.882,1146 37.142,1147 17.397,1148 2.559,1149 8.594,1150 30.047,1151 3.55,1152 19.039,1153 20.826,1154 10.629,1155 39.998,1156 18.707,1157 2.285,1158 8.15,1159 32.17,1160 3.334,1161 20.375,1162 22.206,1163 11.323,1164 42.855,1165 20.019,1166 27778,1167 45490,1168 33.115,1169 52.517,1170 76.315,1171 79.095,1172 78.835,1173 75.471,1174 75.178,1175 93.894,1176 13.129,1177 231.963,1178 72.869,1179 5.961,1180 6.379,1181 8.199,1182 5.913,1183 5.875,1184 7.253,1185 3.624,1186 25.976,1187 5.782,1188 19.714,1189 1.557,1190 1.614,1191 1.609,1192 1.54,1193 1.534,1194 1.916,1195 0.268,1196 4.734,1197 1.487,1198 4.123,1199 4.158,1200 4.09,1201 4.022,1202 7.432,1203 4.028,1204 3.997,1205 4.02,1206 4.025,1207 3.934,1208 7.426,1209 3.932,1210 3.898,1211 3.919,1212 3.996,1213 3.859,1214 7.424,1215 3.849,1216 3.823,1217 3.868,1218 3.786,1219 3.722,1220 4.957,1221 3.718,1222 3.77,1223 3.807,1224 3.717,1225 3.656,1226 4.93,1227 3.66,1228 3.546,1229 3.587,1230 3.456,1231 3.411,1232 4.766,1233 3.408,1234 3.368,1235 3.397,1236 3.308,1237 3.204,1238 4.399,1239 3.197,1240 3.279,1241 3.325,1242 3.307,1243 3.168,1244 4.363,1245 3.191,1246 0.101,1247 0.089,1248 0.174,1249 0.099,1250 0.079,1251 4.961,1252 0.087,1253 4.379,1254 0.043,1255 8.511,1256 0.355,1257 4.851,1258 0.077,1259 3.875,1260 4.253,1261 2.086,1262 17.408,1263 3.782,1264 1.967,1265 1.947,1266 2.054,1267 2.061,1268 1.386,1269 2.061,1270 1.902,1271 1.879,1272 2.009,1273 1.979,1274 1.239,1275 1.991,1276 1.899,1277 1.878,1278 1.989,1279 1.96,1280 1.194,1281 1.978,1282 1.763,1283 1.727,1284 1.928,1285 1.9,1286 1.101,1287 1.908,1288 1.689,1289 1.649,1290 1.861,1291 1.826,1292 1.1,1293 1.845,1294 1.544,1295 1.496,1296 1.766,1297 1.744,1298 1.013,1299 1.729,1300 1.49,1301 1.423,1302 1.684,1303 1.689,1304 0.964,1305 1.717,1306 1.3,1307 1.258,1308 1.503,1309 1.493,1310 0.705,1311 1.46,1312 4.595,1314 5.969,1315 3.434,1316 7.546,1317 5.938,1318 9.224,1319 8.174,1320 10.961,1323 12.9,1328 4.229,1329 3.117,1332 0.086,1333 4.083,1334 -0.856,1340 49.766,1341 114.885,1342 275.667,1343 353.46,1344 399.99,1345 411.5,1346 411.5,1347 100.236,1348 9.272,1349 69.72,1350 69.72,1351 39,1352 13.477,1353 4.585,1354 3.907,1355 57.757,1356 198,1357 187,1358 0.138,1359 302.802,1360 547.67,1361 730.598,1362 162859,1363 2.7,1364 29.717,1365 0.691,1366 0.583,1367 30.717,1368 25.074,1369 20.856,1370 0.426,1371 0.317,1372 14.71,1373 19.832,1374 14.348,1375 11.716,1376 21.434,1377 15.519,1378 19.357,1379 0.265,1380 0.174,1381 20.098,1382 12.668,1383 17.605,1384 0.165,1385 0.095,1386 18.365,1387 10.147,1388 15.347,1389 0.101,1390 0.052,1391 15.854,1392 7.96,1393 12.88,1394 0.064,1395 0.029,1396 13.317,1397 5.782,1398 0.213,1399 134.719,1400 0.174,1401 37.181,1402 0.391,1403 244,1404 637.236,1405 289.12,1406 682.672,1407 918.62,1408 636,1409 302,1410 630.874,1411 341.474,1412 661.721,1413 986.71,1414 626,1415 4.924}
{0 CHEMBL2332975,1 1.552,2 12.14,3 4.9,4 24.005,5 161.139,6 7.834,7 0.367,8 4.413,9 4.52,10 4.027,11 4.019,12 5.528,13 4,14 4.995,15 5.145,16 4.458,17 4.472,18 6.086,19 4.437,20 5.338,21 5.53,22 4.597,23 4.655,24 6.451,25 4.6,26 5.453,27 5.658,28 4.591,29 4.68,30 6.579,31 4.619,32 5.457,33 5.657,34 4.624,35 4.683,36 6.611,37 4.628,38 5.506,39 5.715,40 4.646,41 4.683,42 6.848,43 4.619,44 5.456,45 5.679,46 4.544,47 4.656,48 6.559,49 4.582,50 5.409,51 5.615,52 4.503,53 4.629,54 6.666,55 4.554,56 0.051,57 1.164,58 13.359,59 7.07,60 14.42,61 8.562,62 0.267,63 2.034,64 26.818,65 12.311,66 37.05,67 15.438,68 0.505,69 2.741,70 42.798,71 17.77,72 87.706,73 22.281,74 0.829,75 2.937,76 51.442,77 19.616,78 153.23,79 24.059,80 0.74,81 2.857,82 50.587,83 19.408,84 130.782,85 24.16,86 1.454,87 3.05,88 55.657,89 20.494,90 258.897,91 25.855,92 0.702,93 2.837,94 52.564,95 19.897,96 126.752,97 25.501,98 1.06,99 2.826,100 49.993,101 19.233,102 210.839,103 23.35,104 26,105 73,106 0.237,107 0.568,108 0.729,109 0.825,110 0.848,111 0.848,112 3.788,113 0.904,114 -5.8,115 -5.66,116 -5.27,121 47.3,123 4,124 1,127 3,129 1,132 1,137 2,138 2,144 12,145 3,146 3,158 1,160 2,176 19,179 1,180 11,183 1,185 2,187 20,191 1,192 10,195 1,197 3,200 19,205 1,206 14,211 3,214 19,218 2,219 13,224 2,227 18,231 3,232 15,235 2,239 19,244 15,251 18,256 11,261 2,264 21,268 1,269 7,274 2,277 26,281 3844,282 29.304,283 29.304,284 29.304,285 29.304,286 29.304,287 26.293,288 31.626,289 16.862,290 29.576,291 24.156,292 24.156,293 24.156,294 24.156,295 24.156,296 19.576,297 40.394,298 7.943,299 24.636,300 4.657,301 2.484,302 1.433,303 0.804,304 0.649,305 0.649,306 4.507,313 1172,314 4,317 278.317,318 512.859,320 164.794,321 146.354,325 1.578,326 69.109,329 0.5,330 0.5,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.7,337 93.5,338 522,339 4.961,340 4.379,341 8.511,342 4.851,343 3.875,344 4.253,345 2.086,346 17.408,347 3.782,348 4.43,349 3.79,350 6.503,351 4.108,352 3.111,353 3.956,354 1.946,355 10.164,356 3.106,357 4.209,358 3.588,359 6.288,360 3.786,361 2.813,362 3.837,363 0.942,364 9.17,365 2.731,366 4.085,367 3.176,368 6.059,369 3.744,370 2.772,371 3.55,372 0.827,373 8.725,374 2.694,375 3.981,376 3.106,377 6.034,378 3.702,379 2.737,380 3.334,381 0.359,382 8.594,383 2.637,384 3.829,385 3.084,386 5.945,387 3.554,388 2.559,389 3.025,390 0.357,391 8.15,392 2.527,393 3.503,394 2.798,395 5.846,396 3.271,397 2.285,398 2.699,399 0.047,400 7.539,401 2.251,402 3.464,403 2.481,404 5.436,405 2.998,406 2.012,407 2.617,409 6.155,410 1.979,411 3.146,412 2.373,413 5.184,414 2.927,415 1.932,416 2.221,418 6.082,419 1.912,420 2.925,421 2.359,422 5.085,423 2.715,424 1.738,425 2.086,427 5.241,428 1.69,429 2.901,430 1.933,431 4.472,432 2.477,433 1.482,434 2.026,436 3.852,437 1.474,438 2.867,439 1.866,440 4.242,441 2.39,442 1.414,443 1.979,445 3.642,446 1.382,447 2.848,448 1.727,449 4.17,450 2.377,451 1.414,452 1.97,454 3.611,455 1.358,456 2.839,457 1.567,458 4.127,459 2.359,460 1.364,461 1.943,463 3.18,464 1.344,465 2.756,466 1.527,467 3.639,468 2.346,469 1.354,470 1.842,472 2.98,473 1.321,474 20.271,475 0.471,476 1.16,477 0.027,478 53.75,479 1.25,480 26,481 0.605,482 27.75,483 0.645,484 45.61,485 1.061,486 45.129,487 0.61,488 50.695,489 1.179,490 10.468,491 0.243,492 10.388,493 0.242,494 0.078,495 0.025,496 0.36,499 2,501 0.545,502 1.014,503 0.693,504 0.976,505 0.481,506 0.89,507 0.596,508 1.021,509 0.813,510 1.012,511 0.509,512 0.967,513 0.849,514 1.029,515 0.934,516 1.056,517 0.79,518 1.02,519 1.16,520 0.958,521 1.062,522 0.977,523 1.174,524 0.99,525 1.033,526 0.924,527 1.011,528 1.027,529 1.067,530 1.014,531 0.924,532 0.865,533 0.989,534 0.961,535 0.989,536 0.985,537 0.951,538 0.882,539 0.95,540 0.949,541 0.936,542 0.947,543 1.154,544 0.944,545 1.122,546 0.979,547 1.162,548 1.028,549 9,550 0.472,551 6.222,552 4.486,553 3.144,554 1.845,555 1.439,556 0.824,557 0.672,558 0.604,559 30484,560 81164,561 2.16,562 41.9,564 21,567 1,568 2,569 7,572 1.825,573 2.024,574 3.526,575 -0.438,582 114.885,583 1.552,584 3.725,585 4.776,586 5.405,587 5.561,588 5.561,589 2.81,590 4.833,591 5.402,592 3.739,593 3376.14,594 9.605,595 59348.3,600 459.5,601 1.512,602 5.356,603 0.184,604 0.007,605 0.085,606 0.056,607 0.04,608 0.023,609 0.018,610 0.011,611 0.01,612 0.009,613 0.442,614 0.17,615 0.63,616 0.487,617 242.668,618 -0.017,619 -0.048,620 0.047,621 0.016,622 -0.007,623 0.039,624 0.029,625 -0.064,626 0.006,627 -0.043,628 0.029,629 -0.029,630 -0.021,631 -0.078,632 -0.013,633 -0.083,634 0.005,635 -0.054,636 -0.123,637 -0.012,638 -0.079,639 -0.009,640 -0.11,641 -0.026,642 -0.076,643 -0.062,644 -0.046,645 -0.072,646 -0.073,647 -0.056,648 0.172,649 0.06,650 0.019,651 0.002,652 0.15,653 -0.021,654 -0.072,655 -0.044,656 0.034,657 0.015,658 -0.04,659 0.043,660 -0.047,661 0.043,662 -0.124,663 0.005,664 -0.009,665 -0.056,666 2.17,667 7.131,668 0.791,669 45.735,670 1.008,671 1.122,672 4.565,673 20.841,674 0.685,675 3.912,676 4.304,677 4.682,678 5.03,679 5.303,680 5.464,681 5.645,682 5.784,683 5.927,684 6.059,685 7.718,686 0.661,687 579.69,688 3.912,689 5.501,690 6.405,691 7.332,692 8.261,693 9.2,694 10.14,695 11.087,696 12.035,697 12.989,698 4.1,701 1,705 2,715 12,720 6,722 18,740 2,741 74,743 23,744 3,745 49,747 80,748 35,749 18,750 6,751 12,752 5,756 7,757 9,767 4,768 2,770 5,772 25,773 10,774 2,777 5,782 3,784 2,786 5,791 2,793 31,794 8,795 1,796 8,802 3,808 0.571,809 3,825 2,828 3,829 4,831 1,832 1,841 1,843 1,844 1,849 2,850 2,855 1,859 4,866 2,868 43,876 7,877 1,880 2,881 2,882 1,892 2,893 4.1,896 3,901 21.25,902 13.269,903 9.194,904 4.684,907 2.907,908 1.313,909 1.018,910 7.02,911 12.179,912 4.159,913 4.741,914 5.31,915 5.84,916 6.338,917 6.55,918 6.886,919 7.221,920 7.497,921 7.768,922 0.875,923 80,924 16.289,926 7.585,927 0.026,929 7.924,931 30.65,933 27.127,936 2.424,937 104.25,941 353.133,942 200.592,943 24.259,945 75.435,946 29.92,948 200.592,949 428.568,950 54.18,952 37.59,953 132.667,954 89.978,955 40.051,956 29.92,957 353.133,959 353.133,960 224.852,961 105.355,964 300.656,965 157.832,968 40.715,969 165.184,970 18.952,972 383.053,973 99.694,974 200.592,977 353.133,978 67.925,979 138.916,980 18.011,981 105.355,982 353.133,983 129.614,984 200.592,986 0.595,987 0.368,988 0.208,989 0.116,990 39,991 17,992 0.05,993 4,994 2,995 1.147,996 4.949,997 494.942,998 0.118,999 35,1000 213.329,1005 27.737,1006 10.883,1007 4.62,1009 129.614,1010 19.977,1015 1.207,1017 18.011,1018 683.34,1019 63,1024 41.51,1026 2.945,1028 -0.146,1031 74.567,1032 83.031,1034 0.25,1035 0.6,1036 0.769,1037 0.87,1038 0.896,1039 0.896,1040 5.453,1041 2.012,1042 6.431,1043 7.539,1044 4.99,1045 5.429,1046 2.879,1047 7.371,1048 4.952,1049 6.669,1050 1.932,1051 8.073,1052 6.155,1053 4.745,1054 5.247,1055 2.371,1056 8.749,1057 4.676,1058 8.003,1059 1.738,1060 9.837,1061 6.082,1062 6.718,1063 7.556,1064 3.838,1065 11.979,1066 6.638,1067 9.375,1068 1.482,1069 11.684,1070 5.241,1071 7.366,1072 8.187,1073 3.996,1074 14.385,1075 7.255,1076 10.787,1077 1.414,1078 13.593,1079 3.852,1080 8.848,1081 9.992,1082 5.079,1083 17.292,1084 8.723,1085 12.228,1086 1.414,1087 15.553,1088 3.642,1089 9.895,1090 10.999,1091 5.512,1092 20.035,1093 9.74,1094 13.693,1095 1.364,1096 17.554,1097 3.611,1098 11.237,1099 12.597,1100 6.42,1101 22.895,1102 11.064,1103 3.875,1104 1.354,1105 19.587,1106 3.18,1107 12.454,1108 13.791,1109 6.985,1110 25.725,1111 12.253,1112 3.111,1113 17.408,1114 21.647,1115 2.98,1116 13.772,1117 15.293,1118 7.803,1119 28.58,1120 13.549,1121 2.813,1122 10.164,1123 23.727,1124 4.253,1125 15.06,1126 16.587,1127 8.438,1128 31.43,1129 14.811,1130 2.772,1131 9.17,1132 25.823,1133 3.956,1134 16.384,1135 18.043,1136 9.209,1137 34.287,1138 16.11,1139 2.737,1140 8.725,1141 27.93,1142 3.837,1143 17.705,1144 19.391,1145 9.882,1146 37.142,1147 17.405,1148 2.559,1149 8.594,1150 30.047,1151 3.55,1152 19.039,1153 20.826,1154 10.629,1155 39.998,1156 18.714,1157 2.285,1158 8.15,1159 32.17,1160 3.334,1161 20.375,1162 22.206,1163 11.323,1164 42.855,1165 20.024,1166 27778,1167 45490,1168 33.115,1169 50.677,1170 76.315,1171 79.033,1172 78.835,1173 75.282,1174 75.178,1175 93.894,1176 13.129,1177 231.963,1178 73.749,1179 5.961,1180 6.379,1181 8.199,1182 5.913,1183 5.875,1184 7.253,1185 3.624,1186 25.976,1187 5.782,1188 19.714,1189 1.557,1190 1.613,1191 1.609,1192 1.536,1193 1.534,1194 1.916,1195 0.268,1196 4.734,1197 1.505,1198 4.123,1199 4.159,1200 4.07,1201 4.021,1202 8.203,1203 4.027,1204 4,1205 4.025,1206 3.956,1207 3.924,1208 8.199,1209 3.927,1210 3.903,1211 3.929,1212 3.855,1213 3.841,1214 7.432,1215 3.84,1216 3.823,1217 3.868,1218 3.74,1219 3.722,1220 7.426,1221 3.718,1222 3.773,1223 3.811,1224 3.701,1225 3.65,1226 7.424,1227 3.657,1228 3.546,1229 3.588,1230 3.449,1231 3.411,1232 4.773,1233 3.408,1234 3.368,1235 3.397,1236 3.304,1237 3.204,1238 4.691,1239 3.197,1240 3.279,1241 3.325,1242 3.174,1243 3.168,1244 4.655,1245 3.191,1246 0.101,1247 0.089,1248 0.174,1249 0.099,1250 0.079,1251 4.961,1252 0.087,1253 4.379,1254 0.043,1255 8.511,1256 0.355,1257 4.851,1258 0.077,1259 3.875,1260 4.253,1261 2.086,1262 17.408,1263 3.782,1264 1.965,1265 1.944,1266 2.059,1267 2.068,1268 1.386,1269 2.065,1270 1.902,1271 1.878,1272 2.009,1273 1.981,1274 1.236,1275 1.991,1276 1.896,1277 1.873,1278 1.999,1279 1.979,1280 1.194,1281 1.986,1282 1.762,1283 1.726,1284 1.928,1285 1.907,1286 1.101,1287 1.911,1288 1.688,1289 1.648,1290 1.863,1291 1.829,1292 1.088,1293 1.846,1294 1.544,1295 1.496,1296 1.766,1297 1.744,1298 1.006,1299 1.729,1300 1.49,1301 1.422,1302 1.684,1303 1.69,1304 0.963,1305 1.717,1306 1.3,1307 1.258,1308 1.503,1309 1.493,1310 0.705,1311 1.46,1312 4.595,1314 5.969,1315 3.434,1316 7.546,1317 5.938,1318 9.224,1319 8.174,1320 10.961,1324 29.183,1328 3.599,1329 3.071,1332 -0.046,1333 3.871,1334 -0.92,1340 48.877,1341 114.885,1342 275.667,1343 353.46,1344 399.99,1345 411.5,1346 411.5,1347 116.775,1348 9.272,1349 69.72,1350 69.72,1351 39,1352 13.477,1353 4.585,1354 3.907,1355 57.757,1356 198,1357 187,1358 0.138,1359 288.533,1360 529.39,1361 695.781,1362 162859,1363 2.7,1364 29.717,1365 0.691,1366 0.548,1367 27.976,1368 23.562,1369 20.856,1370 0.426,1371 0.301,1372 14.599,1373 20.193,1374 14.348,1375 11.716,1376 20.035,1377 14.764,1378 19.357,1379 0.265,1380 0.162,1381 18.321,1382 11.853,1383 17.605,1384 0.165,1385 0.088,1386 16.538,1387 9.459,1388 15.347,1389 0.101,1390 0.05,1391 14.785,1392 7.58,1393 12.88,1394 0.064,1395 0.027,1396 12.435,1397 5.494,1398 0.213,1399 130.1,1400 0.174,1401 37.181,1402 0.391,1403 244,1404 757.052,1405 265.743,1406 682.672,1407 918.62,1408 636,1409 302,1410 663.815,1411 325.037,1412 661.721,1413 986.71,1414 626,1415 4.464}
{0 CHEMBL2332976,1 1.614,2 12.936,3 4.277,4 18.295,5 175.356,6 8.124,7 0.34,8 4.478,9 4.581,10 4.119,11 4.05,12 5.661,13 4.043,14 5.045,15 5.184,16 4.538,17 4.511,18 6.295,19 4.487,20 5.377,21 5.559,22 4.657,23 4.705,24 6.492,25 4.656,26 5.523,27 5.72,28 4.681,29 4.739,30 6.679,31 4.688,32 5.514,33 5.704,34 4.694,35 4.733,36 6.732,37 4.687,38 5.548,39 5.757,40 4.642,41 4.724,42 6.767,43 4.658,44 5.497,45 5.708,46 4.642,47 4.706,48 6.623,49 4.645,50 5.509,51 5.701,52 4.66,53 4.695,54 6.869,55 4.643,56 0.275,57 1.146,58 13.315,59 7.002,60 17.204,61 8.457,62 0.56,63 1.952,64 26.487,65 12.393,66 97.283,67 15.377,68 0.659,69 2.586,70 41.824,71 17.611,72 87.218,73 22.401,74 1.111,75 2.806,76 53.489,77 20.051,78 191.726,79 24.979,80 1.038,81 2.807,82 51.614,83 19.662,84 152.387,85 24.324,86 1.391,87 2.835,88 56.897,89 20.803,90 245.243,91 26.547,92 1.024,93 2.778,94 52.512,95 19.711,96 137.15,97 25.522,98 1.626,99 2.691,100 53.905,101 19.606,102 290.781,103 24.319,104 54,105 79,106 0.242,107 0.568,108 0.728,109 0.818,110 0.834,111 0.834,112 3.875,113 0.88,114 -5.39,115 -5.28,116 -4.93,121 44.9,123 4,124 1,127 3,129 1,132 1,137 2,138 2,144 12,145 3,146 3,158 1,160 2,168 4,176 19,179 3,180 15,183 1,185 2,187 22,191 1,192 22,195 1,197 3,200 19,205 1,206 26,211 3,214 17,218 2,219 27,224 2,227 20,231 3,232 15,235 2,239 19,243 4,244 19,251 20,255 8,256 15,261 2,264 22,268 3,269 15,274 2,277 26,281 5174,282 31.614,283 31.614,284 31.614,285 31.614,286 31.614,287 28.155,288 38.277,289 18.101,290 31.897,291 26.136,292 26.136,293 26.136,294 26.136,295 26.136,296 20.763,297 49.356,298 8.524,299 26.556,300 4.671,301 2.495,302 1.427,303 0.83,304 0.718,305 0.718,306 4.589,313 1347,314 4.69,317 315.569,318 576.948,320 186.675,321 165.162,325 1.741,326 78.647,329 0.25,330 0.5,331 0.67,332 0.6,333 0.5,334 0.5,335 0.5,336 0.5,337 103.5,338 608,339 4.961,340 4.379,341 8.511,342 4.851,343 3.875,344 4.253,345 2.612,346 17.408,347 3.782,348 4.418,349 3.791,350 6.49,351 4.099,352 3.101,353 4.02,354 2.612,355 10.121,356 3.1,357 4.288,358 3.78,359 6.288,360 3.804,361 2.825,362 3.991,363 2.086,364 9.17,365 2.768,366 4.241,367 3.778,368 6.002,369 3.776,370 2.801,371 3.752,372 1.946,373 8.514,374 2.732,375 3.987,376 3.586,377 5.982,378 3.725,379 2.753,380 3.335,381 0.942,382 8.501,383 2.678,384 3.852,385 3.176,386 5.962,387 3.589,388 2.6,389 3.314,390 0.827,391 8.285,392 2.551,393 3.852,394 2.798,395 5.85,396 3.362,397 2.376,398 3.122,399 0.359,400 7.546,401 2.34,402 3.653,403 2.645,404 5.472,405 3.273,406 2.288,407 3.001,408 0.357,409 7.155,410 2.252,411 3.503,412 2.578,413 5.436,414 3.186,415 2.19,416 2.617,417 0.047,418 6.401,419 2.174,420 3.327,421 2.438,422 5.209,423 2.926,424 1.93,425 2.559,427 6.074,428 1.911,429 3.146,430 2.366,431 5.084,432 2.821,433 1.827,434 2.221,436 5.445,437 1.815,438 2.941,439 2.219,440 4.917,441 2.715,442 1.738,443 2.067,445 5.241,446 1.69,447 2.902,448 1.93,449 4.472,450 2.359,451 1.355,452 1.97,454 3.643,455 1.358,456 2.839,457 1.828,458 4.193,459 2.358,460 1.354,461 1.943,463 3.185,464 1.358,465 2.833,466 1.706,467 3.799,468 2.304,469 1.304,470 1.91,472 3.058,473 1.301,474 21.833,475 0.465,476 1.372,477 0.029,478 62.75,479 1.335,480 32,481 0.681,482 30.75,483 0.654,484 47.518,485 1.011,486 49.567,487 0.635,488 62.131,489 1.322,490 12.083,491 0.257,492 10.561,493 0.225,494 0.107,495 0.023,496 0.371,501 0.4,502 1.119,503 0.661,504 0.952,505 0.459,506 0.885,507 0.493,508 1.148,509 0.786,510 1.028,511 0.392,512 0.978,513 0.702,514 1.113,515 0.926,516 1.111,517 0.598,518 1.071,519 1.057,520 1.019,521 1.021,522 0.998,523 1.034,524 1.001,525 1.04,526 1.06,527 1.046,528 1.08,529 0.979,530 1.064,531 0.95,532 0.961,533 1.016,534 0.972,535 0.948,536 1.006,537 0.842,538 0.977,539 0.951,540 1.013,541 0.802,542 1.003,543 1.013,544 0.92,545 1.046,546 0.941,547 1.053,548 0.994,549 11,550 0.587,551 6.222,552 4.986,553 3.304,554 2.095,555 1.477,556 0.876,557 0.854,558 0.726,559 38528,560 116064,561 2.12,562 39.7,564 21,567 1,568 2,569 7,572 1.846,573 1.965,574 3.611,575 -0.379,582 125.895,583 1.614,584 3.791,585 4.859,586 5.455,587 5.567,588 5.567,589 2.983,590 4.815,591 5.528,592 3.862,593 4174.78,594 9.862,595 79280.6,600 490.261,601 1.571,602 5.475,603 0.208,604 0.007,605 0.079,606 0.058,607 0.038,608 0.024,609 0.018,610 0.011,611 0.01,612 0.009,613 0.462,614 0.17,615 0.63,616 0.721,617 273.356,618 0.169,619 0.041,620 0.061,621 0.064,622 0.021,623 0.033,624 0.136,625 -0.041,626 0.016,627 -0.02,628 0.16,629 -0.027,630 -0.012,631 -0.071,632 -0.031,633 -0.107,634 0.027,635 -0.077,636 -0.119,637 -0.037,638 -0.04,639 -0.004,640 -0.092,641 -0.003,642 -0.105,643 -0.06,644 -0.08,645 -0.092,646 -0.053,647 -0.079,648 -0.006,649 0.002,650 -0.008,651 0.024,652 -0.003,653 0.008,654 -0.014,655 0.017,656 0.03,657 -0.021,658 -0.023,659 0.01,660 0.052,661 0.047,662 -0.041,663 0.05,664 0.045,665 -0.007,666 2.52,667 7.253,668 0.723,669 55.488,670 1.016,671 1.12,672 4.164,673 17.342,674 0.681,675 3.989,676 4.382,677 4.736,678 5.081,679 5.352,680 5.513,681 5.707,682 5.832,683 5.984,684 6.129,685 8.392,686 0.666,687 633.71,688 3.989,689 5.58,690 6.475,691 7.401,692 8.322,693 9.257,694 10.192,695 11.135,696 12.078,697 13.028,698 6.4,701 1,705 2,709 2,715 12,720 6,722 18,735 2,741 78,743 27,744 3,745 53,747 84,748 35,749 18,750 6,751 12,752 5,756 7,757 9,767 4,768 2,770 5,772 25,773 10,774 2,777 9,779 2,782 7,784 2,786 5,793 31,794 10,795 1,796 12,802 5,808 0.571,809 7,825 2,828 3,829 4,831 1,832 1,841 1,843 1,844 1,849 2,850 2,855 1,859 4,868 47,876 7,877 1,880 2,881 2,882 1,893 9,896 3,899 4,901 23.917,902 14.05,903 10.028,904 4.832,907 3.176,908 1.335,909 0.992,910 7.93,911 12.649,912 4.277,913 4.871,914 5.408,915 5.935,916 6.453,917 6.71,918 7.11,919 7.381,920 7.676,921 7.976,922 1,923 86,924 17.693,926 8.189,927 0.026,929 8.059,931 32.869,933 28.735,936 2.559,937 120.25,941 353.133,942 187.864,943 35.599,945 176.929,948 187.864,949 530.062,950 35.599,951 11.34,952 37.59,953 132.667,954 89.978,955 27.322,957 353.133,958 101.494,959 353.133,960 223.463,961 176.929,964 270.735,965 157.832,966 101.494,968 40.715,969 152.456,970 30.293,972 353.133,973 212.528,974 187.864,977 353.133,978 55.196,979 150.256,980 18.011,981 176.929,982 353.133,983 212.528,984 187.864,986 0.596,987 0.362,988 0.202,989 0.113,990 41,991 19,992 0.071,993 6,994 2,995 1.147,996 5.202,997 550.608,998 0.118,999 35,1000 233.066,1005 30.828,1006 12.09,1007 5.406,1009 201.188,1010 19.4,1015 2.242,1017 18.011,1018 753.525,1019 71,1021 -1.039,1024 87.492,1026 3.091,1028 -0.184,1031 79.287,1032 87.355,1034 0.257,1035 0.603,1036 0.773,1037 0.868,1038 0.886,1039 0.886,1040 5.566,1041 2.288,1042 6.506,1043 7.546,1044 5.069,1045 5.561,1046 3.694,1047 7.434,1048 5.039,1049 6.793,1050 2.19,1051 8.142,1052 7.155,1053 4.844,1054 5.472,1055 3.398,1056 8.785,1057 4.792,1058 8.132,1059 1.93,1060 9.897,1061 6.401,1062 6.788,1063 7.717,1064 5.147,1065 12.003,1066 6.717,1067 9.507,1068 1.827,1069 11.733,1070 6.074,1071 7.427,1072 8.416,1073 5.454,1074 14.392,1075 7.331,1076 10.917,1077 1.738,1078 13.631,1079 5.445,1080 8.897,1081 10.173,1082 6.829,1083 17.296,1084 8.782,1085 12.354,1086 1.355,1087 15.58,1088 5.241,1089 9.929,1090 11.223,1091 7.41,1092 20.036,1093 9.787,1094 13.814,1095 1.354,1096 17.572,1097 3.643,1098 11.264,1099 12.79,1100 8.606,1101 22.895,1102 11.1,1103 3.875,1104 1.304,1105 19.599,1106 3.185,1107 12.472,1108 14.01,1109 9.341,1110 25.725,1111 12.28,1112 3.101,1113 17.408,1114 21.654,1115 3.058,1116 13.785,1117 15.494,1118 10.437,1119 28.58,1120 13.569,1121 2.825,1122 10.121,1123 23.731,1124 4.253,1125 15.069,1126 16.802,1127 11.263,1128 31.43,1129 14.825,1130 2.801,1131 9.17,1132 25.825,1133 4.02,1134 16.391,1135 18.248,1136 12.303,1137 34.286,1138 16.121,1139 2.753,1140 8.514,1141 27.931,1142 3.991,1143 17.709,1144 19.604,1145 13.183,1146 37.142,1147 17.413,1148 2.6,1149 8.501,1150 30.047,1151 3.752,1152 19.042,1153 21.032,1154 14.19,1155 39.998,1156 18.719,1157 2.376,1158 8.285,1159 32.17,1160 3.335,1161 20.377,1162 22.416,1163 15.102,1164 42.855,1165 20.028,1166 35568,1167 61980,1168 35.312,1169 53.108,1170 82.85,1171 87.047,1172 85.249,1173 81.666,1174 81.636,1175 105.179,1176 23.579,1177 250.82,1178 80.581,1179 5.961,1180 6.379,1181 8.191,1182 5.913,1183 5.875,1184 7.253,1185 4.612,1186 25.976,1187 5.782,1188 25.468,1189 1.563,1190 1.642,1191 1.608,1192 1.541,1193 1.54,1194 1.985,1195 0.445,1196 4.732,1197 1.52,1198 4.129,1199 4.164,1200 4.077,1201 4.024,1202 7.818,1203 4.031,1204 4.031,1205 4.057,1206 3.99,1207 3.937,1208 7.812,1209 3.942,1210 3.975,1211 4,1212 3.939,1213 3.867,1214 7.432,1215 3.872,1216 3.845,1217 3.88,1218 3.799,1219 3.723,1220 7.426,1221 3.722,1222 3.811,1223 3.856,1224 3.72,1225 3.669,1226 7.424,1227 3.682,1228 3.568,1229 3.606,1230 3.498,1231 3.413,1232 6.999,1233 3.412,1234 3.527,1235 3.549,1236 3.492,1237 3.247,1238 6.999,1239 3.275,1240 3.452,1241 3.483,1242 3.387,1243 3.173,1244 4.779,1245 3.207,1246 0.094,1247 0.083,1248 0.161,1249 0.092,1250 0.073,1251 4.961,1252 0.08,1253 4.379,1254 0.049,1255 8.511,1256 0.328,1257 4.851,1258 0.071,1259 3.875,1260 4.253,1261 2.612,1262 17.408,1263 3.782,1264 1.982,1265 1.96,1266 2.074,1267 2.111,1268 1.386,1269 2.09,1270 1.929,1271 1.905,1272 2.023,1273 2.081,1274 1.242,1275 2.046,1276 1.903,1277 1.878,1278 2.011,1279 1.997,1280 1.195,1281 1.996,1282 1.777,1283 1.743,1284 1.93,1285 1.955,1286 1.118,1287 1.937,1288 1.697,1289 1.656,1290 1.87,1291 1.85,1292 1.102,1293 1.862,1294 1.545,1295 1.496,1296 1.767,1297 1.745,1298 1.029,1299 1.732,1300 1.49,1301 1.423,1302 1.685,1303 1.704,1304 0.966,1305 1.719,1306 1.348,1307 1.315,1308 1.509,1309 1.685,1310 0.709,1311 1.594,1312 4.673,1314 6.047,1315 3.434,1316 7.617,1317 5.938,1318 9.285,1319 8.174,1320 11.012,1328 3.414,1329 3.061,1332 -0.115,1333 3.844,1334 -0.956,1340 51.959,1341 125.895,1342 295.674,1343 378.977,1344 425.506,1345 434.261,1346 434.261,1347 134.972,1348 9.473,1349 161.36,1350 161.36,1351 39,1352 13.519,1353 4.807,1354 4.248,1355 65.912,1356 232,1357 230,1358 0.132,1359 309.855,1360 569.13,1361 747.807,1362 207595,1364 32.871,1365 0.699,1366 0.539,1367 32.871,1368 25.334,1369 22.644,1370 0.427,1371 0.293,1372 15.35,1373 21.707,1374 15.099,1375 12.355,1376 22.644,1377 15.551,1378 21.386,1379 0.271,1380 0.158,1381 21.386,1382 12.515,1383 18.621,1384 0.165,1385 0.087,1386 18.621,1387 9.833,1388 16.244,1389 0.102,1390 0.049,1391 16.244,1392 7.879,1393 13.674,1394 0.065,1395 0.027,1396 13.674,1397 5.674,1398 0.205,1399 142.891,1400 0.168,1401 40.046,1402 0.371,1403 264,1404 831.062,1405 290.435,1406 795.169,1407 1059.9,1408 732,1409 324,1410 777.878,1411 351.691,1412 775.233,1413 1138.07,1414 728,1415 5.223}
{0 CHEMBL2332977,1 1.643,2 12.756,3 7.146,4 51.067,5 179.926,6 9.209,7 0.353,8 4.416,9 4.51,10 4.168,11 4.081,12 5.505,13 4.046,14 4.999,15 5.135,16 4.637,17 4.55,18 6.069,19 4.495,20 5.343,21 5.515,22 4.788,23 4.754,24 6.413,25 4.669,26 5.454,27 5.642,28 4.851,29 4.771,30 6.564,31 4.68,32 5.455,33 5.648,34 4.73,35 4.738,36 6.581,37 4.663,38 5.502,39 5.699,40 4.791,41 4.751,42 6.754,43 4.664,44 5.457,45 5.67,46 4.734,47 4.737,48 6.517,49 4.641,50 5.414,51 5.593,52 4.797,53 4.735,54 6.631,55 4.636,56 0.073,57 0.963,58 9.869,59 6.235,60 12.32,61 7.721,62 0.306,63 1.73,64 22.559,65 11.543,66 33.708,67 14.444,68 0.596,69 2.322,70 45.921,71 18.008,72 78.901,73 22.074,74 0.957,75 2.546,76 62.955,77 20.677,78 134.596,79 24.455,80 0.797,81 2.627,82 49.029,83 19.975,84 115.494,85 23.908,86 1.321,87 2.66,88 61.115,89 21.685,90 202.149,91 26.088,92 0.791,93 2.596,94 53.167,95 20.92,96 116.929,97 25.597,98 1.161,99 2.328,100 61.619,101 20.33,102 164.751,103 23.777,104 50,105 77,106 0.251,107 0.585,108 0.756,109 0.844,110 0.848,111 0.848,112 3.832,113 0.969,114 -6.59,115 -6.41,116 -5.94,121 47.3,123 4,124 1,127 3,129 1,132 1,137 2,138 2,144 10,145 3,146 5,158 1,160 2,176 15,179 1,180 11,183 1,185 2,187 26,191 1,192 10,195 1,197 3,200 23,205 1,206 14,211 3,214 25,218 2,219 13,224 2,227 18,231 3,232 19,235 2,239 23,244 11,251 18,256 17,261 2,264 25,268 1,269 5,274 2,277 28,281 4468,282 30.199,283 30.199,284 30.199,285 30.199,286 30.199,287 27.139,288 34.776,289 17.128,290 30.863,291 25.122,292 25.122,293 25.122,294 25.122,295 25.122,296 20.397,297 42.916,298 8.088,299 26.384,300 4.566,301 2.375,302 1.253,303 0.676,304 0.649,305 0.649,306 4.547,308 4,313 1281,314 4.123,317 297.669,318 545.779,320 176.237,321 155.973,325 1.682,326 61.303,329 0.5,330 0.5,331 0.67,332 0.6,333 0.5,334 0.67,335 1,336 0.63,337 95.833,338 574,339 4.961,340 4.379,341 8.511,342 4.851,343 3.875,344 4.253,345 2.086,346 17.408,347 3.782,348 4.438,349 3.79,350 6.504,351 4.108,352 3.114,353 4.002,354 1.946,355 10.168,356 3.102,357 4.264,358 3.588,359 6.288,360 3.808,361 2.868,362 3.925,363 0.942,364 9.171,365 2.688,366 4.15,367 3.209,368 6.09,369 3.756,370 2.812,371 3.623,372 0.827,373 8.85,374 2.674,375 3.984,376 3.194,377 6.055,378 3.714,379 2.751,380 3.334,381 0.359,382 8.69,383 2.602,384 3.836,385 3.176,386 5.961,387 3.565,388 2.578,389 3.031,390 0.357,391 8.215,392 2.509,393 3.617,394 2.798,395 5.847,396 3.272,397 2.286,398 2.952,399 0.047,400 7.541,401 2.251,402 3.503,403 2.726,404 5.436,405 3.131,406 2.205,407 2.744,409 6.41,410 2.014,411 3.44,412 2.712,413 5.225,414 2.971,415 2.088,416 2.617,418 6.085,419 1.912,420 3.263,421 2.479,422 5.085,423 2.925,424 1.931,425 2.449,427 5.786,428 1.757,429 3.146,430 2.372,431 4.956,432 2.794,433 1.879,434 2.221,436 5.508,437 1.69,438 2.903,439 2.351,440 4.906,441 2.715,442 1.738,443 1.979,445 5.241,446 1.635,447 2.854,448 1.934,449 4.472,450 2.361,451 1.448,452 1.97,454 3.748,455 1.358,456 2.839,457 1.874,458 4.217,459 2.359,460 1.388,461 1.943,463 3.642,464 1.297,465 2.79,466 1.704,467 4.16,468 2.319,469 1.354,470 1.899,472 3.61,473 1.239,474 22.557,475 0.501,476 1.372,477 0.03,478 55.25,479 1.228,480 26,481 0.578,482 29.25,483 0.65,484 53.53,485 1.19,486 46.443,487 0.628,488 50.378,489 1.12,490 10.352,491 0.23,492 11.292,493 0.251,494 0.171,495 0.022,496 0.368,501 0.564,502 1.156,503 0.513,504 0.806,505 0.489,506 0.794,507 0.616,508 1.13,509 0.592,510 0.828,511 0.498,512 0.861,513 0.903,514 1.084,515 0.858,516 0.986,517 0.85,518 1.002,519 1.092,520 1.048,521 0.785,522 0.943,523 1.25,524 0.983,525 1.074,526 1.086,527 0.652,528 0.925,529 1.283,530 0.969,531 0.949,532 1.014,533 0.774,534 0.98,535 1.141,536 0.994,537 1.015,538 0.959,539 0.623,540 0.791,541 1.145,542 0.864,543 1.078,544 0.976,545 1.034,546 1.084,547 1.207,548 1.069,549 11,550 0.538,551 6.667,552 4.861,553 3.526,554 1.956,555 1.599,556 0.984,557 0.828,558 0.738,559 34242,560 106210,561 2.125,562 39.2,564 19,567 1,568 2,569 7,572 1.836,573 1.964,574 3.584,575 -0.407,582 121.583,583 1.643,584 3.834,585 4.956,586 5.534,587 5.561,588 5.561,589 2.92,590 4.819,591 5.466,592 3.808,593 3770.4,594 9.735,595 68625.5,600 459.5,601 1.59,602 5.409,603 0.216,604 0.007,605 0.087,606 0.058,607 0.043,608 0.024,609 0.02,610 0.013,611 0.011,612 0.01,613 0.487,614 0.17,615 0.63,616 0.54,617 257.797,618 -0.023,619 -0.065,620 0.01,621 0.007,622 -0.008,623 0.029,624 0.031,625 -0.028,626 0.027,627 0.02,628 0.051,629 0.006,630 -0.055,631 -0.045,632 -0.053,633 -0.061,634 -0.021,635 -0.064,636 -0.063,637 -0.029,638 0.03,639 0.003,640 -0.089,641 -0.026,642 -0.08,643 -0.041,645 -0.014,646 -0.075,647 -0.028,648 0.132,649 0.003,650 0.009,651 -0.032,652 0.137,653 -0.027,654 -0.083,655 0.064,656 0.096,657 0.155,658 -0.068,659 0.123,660 0.018,661 0.005,662 -0.077,663 -0.104,664 0.002,665 -0.097,666 2.135,667 7.281,668 0.756,669 50.359,670 1.011,671 1.11,672 5.359,673 28.716,674 0.733,675 3.951,676 4.357,677 4.718,678 5.069,679 5.342,680 5.505,681 5.673,682 5.82,683 5.969,684 6.105,685 8.038,686 0.695,687 681.47,688 3.951,689 5.549,690 6.45,691 7.381,692 8.306,693 9.246,694 10.183,695 11.13,696 12.075,697 13.027,698 4.1,701 1,705 2,715 10,720 8,722 18,740 4,741 74,743 23,744 3,745 51,747 80,748 35,749 18,750 8,751 10,752 5,756 7,757 9,758 4,767 4,768 2,770 5,772 25,773 10,774 2,777 5,782 3,784 2,786 5,793 29,794 6,795 1,796 10,797 4,802 3,808 0.571,809 3,825 2,828 3,829 4,831 1,832 1,841 1,843 1,844 1,849 2,850 2,855 1,859 4,865 4,868 45,876 7,877 1,880 2,881 2,882 1,892 4,893 4.1,896 3,901 22.917,902 13.388,903 9.528,904 4.644,907 2.935,908 1.313,909 1.01,910 8.283,911 12.312,912 4.19,913 4.792,914 5.353,915 5.891,916 6.396,917 6.642,918 6.94,919 7.297,920 7.569,921 7.845,922 1,923 84,924 16.884,926 7.739,927 0.026,929 7.812,931 32.05,933 28.298,936 2.312,937 104.028,941 329.591,942 177.4,943 24.259,944 156.595,945 75.435,948 177.4,949 561.62,950 24.259,952 37.59,953 113.715,954 89.978,955 35.811,957 329.591,958 156.595,959 329.591,960 201.659,961 75.435,962 156.595,964 247.193,965 157.832,968 40.715,969 141.992,970 175.547,972 329.591,973 99.694,974 333.995,977 329.591,978 63.685,979 119.964,980 18.011,981 232.029,982 329.591,983 99.694,984 333.995,986 0.601,987 0.366,988 0.206,989 0.115,990 41,991 19,992 0.05,993 4,994 2,995 1.147,996 5.051,997 524.753,998 0.118,999 35,1000 225.133,1005 30.828,1006 12.09,1007 5.406,1009 99.694,1010 17.953,1015 4.766,1017 18.011,1018 763.28,1019 65,1024 41.976,1026 3.428,1028 0.46,1031 74.836,1032 82.127,1034 0.265,1035 0.618,1036 0.798,1037 0.891,1038 0.896,1039 0.896,1040 5.495,1041 2.205,1042 6.488,1043 7.541,1044 5.043,1045 5.481,1046 2.879,1047 7.425,1048 4.958,1049 6.724,1050 2.088,1051 8.13,1052 6.41,1053 4.844,1054 5.38,1055 2.371,1056 8.783,1057 4.687,1058 8.065,1059 1.931,1060 9.889,1061 6.085,1062 6.774,1063 7.629,1064 3.838,1065 12.004,1066 6.635,1067 9.441,1068 1.879,1069 11.729,1070 5.786,1071 7.427,1072 8.302,1073 3.996,1074 14.393,1075 7.246,1076 10.853,1077 1.738,1078 13.629,1079 5.508,1080 8.892,1081 10.074,1082 5.079,1083 17.299,1084 8.713,1085 12.292,1086 1.448,1087 15.58,1088 5.241,1089 9.932,1090 11.104,1091 5.512,1092 20.038,1093 9.726,1094 13.754,1095 1.388,1096 17.574,1097 3.748,1098 11.266,1099 12.684,1100 6.42,1101 22.897,1102 11.051,1103 3.875,1104 1.354,1105 19.601,1106 3.642,1107 12.477,1108 13.893,1109 6.985,1110 25.725,1111 12.241,1112 3.114,1113 17.408,1114 21.656,1115 3.61,1116 13.79,1117 15.386,1118 7.803,1119 28.581,1120 13.538,1121 2.868,1122 10.168,1123 23.733,1124 4.253,1125 15.075,1126 16.688,1127 8.438,1128 31.431,1129 14.801,1130 2.812,1131 9.171,1132 25.827,1133 4.002,1134 16.396,1135 18.14,1136 9.209,1137 34.287,1138 16.103,1139 2.751,1140 8.85,1141 27.934,1142 3.925,1143 17.714,1144 19.494,1145 9.882,1146 37.142,1147 17.399,1148 2.578,1149 8.69,1150 30.049,1151 3.623,1152 19.046,1153 20.927,1154 10.629,1155 39.998,1156 18.709,1157 2.286,1158 8.215,1159 32.172,1160 3.334,1161 20.381,1162 22.31,1163 11.323,1164 42.855,1165 20.02,1166 31424,1167 55602,1168 33.926,1169 54.233,1170 79.908,1171 82.932,1172 82.9,1173 79.266,1174 78.719,1175 97.844,1176 13.129,1177 245.134,1178 74.682,1179 5.961,1180 6.379,1181 8.191,1182 5.913,1183 5.875,1184 7.253,1185 3.624,1186 25.976,1187 5.782,1188 24.511,1189 1.567,1190 1.626,1191 1.625,1192 1.554,1193 1.544,1194 1.919,1195 0.257,1196 4.807,1197 1.464,1198 4.123,1199 4.158,1200 4.136,1201 4.024,1202 7.432,1203 4.029,1204 4,1205 4.02,1206 4.08,1207 3.941,1208 7.426,1209 3.938,1210 3.904,1211 3.917,1212 4.046,1213 3.873,1214 7.424,1215 3.861,1216 3.823,1217 3.868,1218 3.821,1219 3.723,1220 5.035,1221 3.719,1222 3.775,1223 3.806,1224 3.721,1225 3.666,1226 5.009,1227 3.669,1228 3.547,1229 3.587,1230 3.599,1231 3.413,1232 4.767,1233 3.409,1234 3.369,1235 3.397,1236 3.58,1237 3.224,1238 4.636,1239 3.209,1240 3.287,1241 3.324,1242 3.454,1243 3.17,1244 4.632,1245 3.198,1246 0.097,1247 0.086,1248 0.167,1249 0.095,1250 0.076,1251 4.961,1252 0.083,1253 4.379,1254 0.041,1255 8.511,1256 0.341,1257 4.851,1258 0.074,1259 3.875,1260 4.253,1261 2.086,1262 17.408,1263 3.782,1264 1.964,1265 1.948,1266 2.04,1267 2.057,1268 1.386,1269 2.056,1270 1.902,1271 1.88,1272 2.006,1273 1.978,1274 1.239,1275 1.989,1276 1.894,1277 1.878,1278 1.949,1279 1.943,1280 1.194,1281 1.96,1282 1.76,1283 1.728,1284 1.924,1285 1.892,1286 1.101,1287 1.902,1288 1.687,1289 1.649,1290 1.836,1291 1.819,1292 1.099,1293 1.837,1294 1.544,1295 1.496,1296 1.76,1297 1.744,1298 1.011,1299 1.728,1300 1.49,1301 1.423,1302 1.684,1303 1.688,1304 0.964,1305 1.716,1306 1.294,1307 1.259,1308 1.476,1309 1.49,1310 0.699,1311 1.457,1312 4.635,1314 6.019,1315 3.434,1316 7.597,1317 5.938,1318 9.275,1319 8.174,1320 11.011,1323 25.175,1328 3.997,1329 3.106,1332 0.028,1333 4.024,1334 -0.885,1340 51.421,1341 121.583,1342 283.751,1343 366.77,1344 409.5,1345 411.5,1346 411.5,1347 112.942,1348 9.377,1349 69.72,1350 69.72,1351 39,1352 13.517,1353 4.585,1354 3.907,1355 61.782,1356 214,1357 228,1358 0.135,1359 319.468,1360 578.09,1361 771.262,1362 183933,1363 5.4,1364 31.457,1365 0.699,1366 0.604,1367 33.457,1368 27.187,1369 21.644,1370 0.424,1371 0.323,1372 14.969,1373 20.002,1374 14.535,1375 11.816,1376 22.799,1377 16.475,1378 20.624,1379 0.268,1380 0.18,1381 22.182,1382 13.829,1383 18.245,1384 0.164,1385 0.096,1386 19.477,1387 10.698,1388 16.017,1389 0.101,1390 0.054,1391 17.379,1392 8.559,1393 13.29,1394 0.064,1395 0.029,1396 14.085,1397 6.069,1398 0.21,1399 145.796,1400 0.172,1401 38.604,1402 0.382,1403 256,1404 705.643,1405 332.159,1406 806.987,1407 1061.36,1408 748,1409 316,1410 684.6,1411 374.991,1412 735.021,1413 1093.91,1414 694,1415 5.386}
{0 CHEMBL2332978,1 1.384,2 12.698,3 5.461,4 29.821,5 170.789,6 7.147,7 0.367,8 4.469,9 4.585,10 4.016,11 4.083,12 5.495,13 4.041,14 5.055,15 5.222,16 4.437,17 4.537,18 6.023,19 4.477,20 5.375,21 5.568,22 4.553,23 4.732,24 6.352,25 4.643,26 5.525,27 5.748,28 4.554,29 4.759,30 6.51,31 4.658,32 5.512,33 5.731,34 4.585,35 4.734,36 6.576,37 4.649,38 5.507,39 5.723,40 4.561,41 4.723,42 6.663,43 4.63,44 5.49,45 5.723,46 4.492,47 4.711,48 6.486,49 4.609,50 5.434,51 5.642,52 4.469,53 4.709,54 6.472,55 4.604,56 0.047,57 1.095,58 16.717,59 7.733,60 9.61,61 10.286,62 0.264,63 1.941,64 32.303,65 13.489,66 27.392,67 18.477,68 0.367,69 2.57,70 46.387,71 18.854,72 53.426,73 25.611,74 0.559,75 2.862,76 56.839,77 21.631,78 91.48,79 29.286,80 0.592,81 2.831,82 56.298,83 20.905,84 95.832,85 28.076,86 0.869,87 2.792,88 56.295,89 20.858,90 157.851,91 28.003,92 0.538,93 2.755,94 55.507,95 20.831,96 93.295,97 28.272,98 0.457,99 2.601,100 51.069,101 20.177,102 92.621,103 26.896,104 26,105 73,106 0.208,107 0.536,108 0.719,109 0.791,110 0.802,111 0.802,112 3.788,113 0.941,114 -5.44,115 -5.32,116 -4.97,121 46.3,122 2,123 4,124 1,127 3,129 1,132 1,137 2,138 2,144 12,145 5,146 1,158 1,160 2,176 25,179 1,180 11,183 1,185 2,187 30,191 1,192 10,195 1,197 3,200 27,205 1,206 14,211 3,214 21,218 2,219 17,224 2,227 22,231 3,232 15,235 2,239 23,244 17,251 22,256 15,261 2,264 28,268 1,269 7,274 2,277 34,281 3960,282 29.199,283 29.199,284 29.199,285 29.199,286 29.199,287 26.244,288 33.221,289 16.75,290 29.369,291 24.166,292 24.166,293 24.166,294 24.166,295 24.166,296 19.611,297 42.011,298 7.953,299 24.429,300 4.938,301 2.759,302 1.546,303 1.064,304 0.994,305 0.994,306 4.507,313 1227,314 4,317 282.814,318 520.502,320 167.538,321 148.324,325 1.714,326 44.203,329 0.5,330 0.67,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.72,337 90.5,338 546,339 4.961,340 4.379,341 8.511,342 4.851,343 3.875,344 4.253,345 2.086,346 17.408,347 3.782,348 4.404,349 3.789,350 6.489,351 4.096,352 3.097,353 3.87,354 1.946,355 10.116,356 3.098,357 4.068,358 3.586,359 6.288,360 3.731,361 2.757,362 3.676,363 0.942,364 9.17,365 2.686,366 3.998,367 3.176,368 5.994,369 3.646,370 2.649,371 3.498,372 0.827,373 8.366,374 2.646,375 3.962,376 2.798,377 5.851,378 3.632,379 2.646,380 3.334,381 0.359,382 7.58,383 2.594,384 3.83,385 2.725,386 5.565,387 3.52,388 2.515,389 3.031,390 0.357,391 7.55,392 2.517,393 3.617,394 2.688,395 5.438,396 3.272,397 2.286,398 2.95,399 0.047,400 7.02,401 2.251,402 3.503,403 2.484,404 5.382,405 3.204,406 2.205,407 2.655,409 6.154,410 2.203,411 3.379,412 2.425,413 5.107,414 3.034,415 2.03,416 2.617,418 6.083,419 2.036,420 3.145,421 2.375,422 5.085,423 2.925,424 1.929,425 2.269,427 5.643,428 1.911,429 3.124,430 2.194,431 4.881,432 2.74,433 1.744,434 2.221,436 5.241,437 1.737,438 2.903,439 1.991,440 4.776,441 2.715,442 1.738,443 1.97,445 5.204,446 1.69,447 2.839,448 1.927,449 4.472,450 2.359,451 1.354,452 1.943,454 3.643,455 1.358,456 2.598,457 1.527,458 4.192,459 2.307,460 1.304,461 1.5,463 3.181,464 1.297,465 2.5,466 1.495,467 3.639,468 2.154,469 1.156,470 1.5,472 2.938,473 1.148,474 20.7,475 0.481,476 1.193,477 0.028,478 53.25,479 1.238,480 26,481 0.605,482 27.25,483 0.634,484 47.342,485 1.101,486 44.7,487 0.559,488 47.949,489 1.115,490 10.111,491 0.235,492 10.711,493 0.249,494 0.097,495 0.024,496 0.353,501 0.617,502 1.174,503 0.8,504 1.004,505 0.512,506 0.932,507 0.655,508 1.085,509 0.854,510 0.959,511 0.509,512 0.926,513 0.927,514 1.137,515 1.031,516 1.111,517 0.875,518 1.083,519 1.288,520 1.044,521 1.031,522 1.001,523 1.338,524 0.99,525 1.415,526 1.031,527 1.011,528 0.988,529 1.434,530 0.958,531 1.328,532 1.015,533 1.051,534 0.992,535 1.383,536 0.992,537 1.344,538 0.939,539 1.009,540 0.918,541 1.302,542 0.922,543 1.35,544 1.069,545 1.121,546 1.074,547 1.391,548 1.075,549 10,550 0.521,551 5.778,552 4.236,553 3.144,554 1.845,555 1.474,556 0.803,557 0.754,558 0.598,559 31156,560 67648,561 2.16,562 46.3,563 6,564 21,567 1,568 2,569 7,572 1.824,573 2.024,574 3.593,575 -0.485,582 110.745,583 1.384,584 3.563,585 4.776,586 5.258,587 5.328,588 5.328,589 2.962,590 4.627,591 5.398,592 3.809,593 3439.25,594 9.598,595 60687.5,600 505.754,601 1.512,602 5.356,603 0.204,604 0.008,605 0.079,606 0.054,607 0.041,608 0.024,609 0.02,610 0.011,611 0.011,612 0.009,613 0.46,614 0.17,615 0.63,616 0.487,617 243.575,618 -0.001,619 -0.061,620 0.063,621 0.016,622 -0.016,623 0.04,624 0.092,625 0.015,626 0.06,627 0.03,628 0.042,629 0.039,630 0.009,631 -0.09,632 -0.079,633 -0.126,634 -0.02,635 -0.114,636 -0.06,637 -0.041,638 -0.026,639 -0.027,640 -0.09,641 -0.024,642 -0.037,643 -0.017,644 0.008,645 -0.025,646 -0.03,647 -0.006,648 0.115,649 -0.008,650 -0.028,651 -0.027,652 0.12,653 -0.042,654 -0.111,655 0.061,656 0.004,657 0.053,658 -0.064,659 0.046,660 -0.135,661 -0.075,662 -0.13,663 -0.086,664 -0.092,665 -0.105,666 2.069,667 7.234,668 0.791,669 48.37,670 0.991,671 1.115,672 4.206,673 17.693,674 0.679,675 3.912,676 4.304,677 4.663,678 5.017,679 5.303,680 5.455,681 5.638,682 5.784,683 5.922,684 6.052,685 7.93,686 0.64,687 571.77,688 3.912,689 5.501,690 6.399,691 7.324,692 8.248,693 9.186,694 10.123,695 11.069,696 12.017,697 12.969,698 3.8,701 1,705 2,715 12,720 6,722 18,741 80,743 23,744 3,745 49,747 86,748 37,749 18,750 6,751 12,752 5,756 7,757 9,763 2,767 4,768 2,770 5,772 25,773 12,774 2,777 5,782 3,784 2,786 5,793 37,794 6,795 1,796 6,802 3,808 0.571,809 3,825 2,828 3,829 4,831 1,832 1,841 1,843 1,844 1,849 2,850 2,855 1,859 4,864 2,868 43,876 7,877 1,880 2,881 2,882 1,893 3.8,896 3,901 21.25,902 14.983,903 9.139,904 5.099,907 2.857,908 1.308,909 1.009,910 7.098,911 12.13,912 4.159,913 4.741,914 5.295,915 5.822,916 6.34,917 6.554,918 6.895,919 7.247,920 7.498,921 7.747,922 1,923 78,924 16.167,926 7.303,927 0.026,929 7.645,931 31.357,933 27.666,936 2.145,937 92.25,941 423.76,942 206.372,943 24.259,945 75.435,948 206.372,949 499.194,950 24.259,951 17.65,952 37.59,953 132.667,954 89.978,955 28.18,957 423.76,959 423.76,960 230.631,961 75.435,964 341.362,965 157.832,968 58.365,969 153.314,970 18.952,972 423.76,973 99.694,974 206.372,977 423.76,978 56.054,979 156.567,980 18.011,981 75.435,982 423.76,983 99.694,984 206.372,986 0.596,987 0.36,988 0.202,989 0.117,990 39,991 17,992 0.047,993 4,994 2,995 1.147,996 5.001,997 490.285,998 0.118,999 35,1000 205.329,1005 27.859,1006 10.956,1007 4.843,1009 99.694,1010 24.092,1015 6.026,1017 18.011,1018 729.825,1019 63,1024 41.825,1026 3.829,1028 1.164,1031 79.309,1032 89.182,1034 0.219,1035 0.564,1036 0.756,1037 0.832,1038 0.843,1039 0.843,1040 5.453,1041 2.205,1042 6.425,1043 7.02,1044 4.99,1045 5.429,1046 2.879,1047 7.353,1048 4.969,1049 6.669,1050 2.03,1051 8.058,1052 6.154,1053 4.745,1054 5.247,1055 2.371,1056 8.72,1057 4.709,1058 8,1059 1.929,1060 9.812,1061 6.083,1062 6.708,1063 7.547,1064 3.838,1065 11.948,1066 6.654,1067 9.367,1068 1.744,1069 11.65,1070 5.643,1071 7.34,1072 8.149,1073 3.996,1074 14.363,1075 7.262,1076 10.773,1077 1.738,1078 13.555,1079 5.241,1080 8.822,1081 9.954,1082 5.079,1083 17.276,1084 8.724,1085 12.207,1086 1.354,1087 15.514,1088 5.204,1089 9.86,1090 10.924,1091 5.512,1092 20.027,1093 9.733,1094 13.665,1095 1.304,1096 17.516,1097 3.643,1098 11.206,1099 12.524,1100 6.42,1101 22.89,1102 11.055,1103 3.875,1104 1.156,1105 19.553,1106 3.181,1107 12.423,1108 13.688,1109 6.985,1110 25.722,1111 12.241,1112 3.097,1113 17.408,1114 21.618,1115 2.938,1116 13.745,1117 15.192,1118 7.803,1119 28.579,1120 13.537,1121 2.757,1122 10.116,1123 23.703,1124 4.253,1125 15.038,1126 16.465,1127 8.438,1128 31.43,1129 14.8,1130 2.649,1131 9.17,1132 25.804,1133 3.87,1134 16.366,1135 17.924,1136 9.209,1137 34.286,1138 16.101,1139 2.646,1140 8.366,1141 27.916,1142 3.676,1143 17.69,1144 19.26,1145 9.882,1146 37.141,1147 17.397,1148 2.515,1149 7.58,1150 30.036,1151 3.498,1152 19.027,1153 20.698,1154 10.629,1155 39.998,1156 18.707,1157 2.286,1158 7.55,1159 32.162,1160 3.334,1161 20.366,1162 22.072,1163 11.323,1164 42.855,1165 20.018,1166 28400,1167 42000,1168 33.115,1169 54.324,1170 76.366,1171 78.324,1172 78.447,1173 75.155,1174 75.172,1175 93.876,1176 13.129,1177 231.114,1178 74.498,1179 5.961,1180 6.379,1181 8.191,1182 5.913,1183 5.875,1184 7.253,1185 3.624,1186 25.976,1187 5.782,1188 20.142,1189 1.558,1190 1.598,1191 1.601,1192 1.534,1193 1.534,1194 1.916,1195 0.268,1196 4.717,1197 1.52,1198 4.124,1199 4.16,1200 4.07,1201 4.024,1202 7.432,1203 4.03,1204 4.004,1205 4.031,1206 3.951,1207 3.937,1208 7.426,1209 3.937,1210 3.915,1211 3.943,1212 3.85,1213 3.869,1214 7.424,1215 3.861,1216 3.825,1217 3.869,1218 3.743,1219 3.724,1220 4.799,1221 3.72,1222 3.788,1223 3.828,1224 3.706,1225 3.673,1226 4.753,1227 3.677,1228 3.551,1229 3.593,1230 3.454,1231 3.414,1232 4.743,1233 3.412,1234 3.373,1235 3.405,1236 3.306,1237 3.272,1238 4.373,1239 3.259,1240 3.353,1241 3.404,1242 3.24,1243 3.177,1244 4.319,1245 3.203,1246 0.101,1247 0.089,1248 0.174,1249 0.099,1250 0.079,1251 4.961,1252 0.087,1253 4.379,1254 0.043,1255 8.511,1256 0.355,1257 4.851,1258 0.077,1259 3.875,1260 4.253,1261 2.086,1262 17.408,1263 3.782,1264 1.982,1265 1.959,1266 2.088,1267 2.073,1268 1.386,1269 2.077,1270 1.929,1271 1.904,1272 2.049,1273 1.999,1274 1.248,1275 2.018,1276 1.903,1277 1.878,1278 2.012,1279 1.983,1280 1.196,1281 1.994,1282 1.779,1283 1.744,1284 1.935,1285 1.92,1286 1.156,1287 1.925,1288 1.698,1289 1.657,1290 1.886,1291 1.837,1292 1.106,1293 1.857,1294 1.546,1295 1.496,1296 1.77,1297 1.744,1298 1.068,1299 1.731,1300 1.491,1301 1.424,1302 1.685,1303 1.693,1304 0.968,1305 1.718,1306 1.376,1307 1.33,1308 1.612,1309 1.512,1310 0.77,1311 1.549,1312 4.595,1314 5.969,1315 3.434,1316 7.54,1317 5.938,1318 9.209,1319 8.174,1320 10.94,1322 4.073,1328 4.572,1329 3.14,1332 0.16,1333 4.189,1334 -0.819,1340 51.164,1341 110.745,1342 285.06,1343 382.106,1344 420.635,1345 426.244,1346 426.244,1347 93.863,1348 9.272,1349 69.72,1350 69.72,1351 39,1352 13.458,1353 4.585,1354 3.907,1355 57.806,1356 202,1357 224,1358 0.135,1359 305.321,1360 551.85,1361 736.744,1362 162859,1364 29.717,1365 0.691,1366 0.577,1367 29.717,1368 24.807,1369 20.823,1370 0.425,1371 0.314,1372 15.26,1373 20.383,1374 14.819,1375 12.215,1376 20.823,1377 15.374,1378 19.565,1379 0.268,1380 0.173,1381 19.565,1382 12.632,1383 17.359,1384 0.165,1385 0.094,1386 17.359,1387 9.826,1388 15.069,1389 0.1,1390 0.052,1391 15.069,1392 7.748,1393 13.017,1394 0.065,1395 0.029,1396 13.017,1397 5.751,1398 0.209,1399 128.166,1400 0.174,1401 37.351,1402 0.379,1403 244,1404 584.83,1405 258.082,1406 576.458,1407 799.82,1408 540,1409 300,1410 595.149,1411 316.053,1412 610.379,1413 905.87,1414 576,1415 4.697}
{0 CHEMBL2332979,1 1.552,2 12.698,3 5.817,4 33.841,5 170.316,6 8.278,7 0.367,8 4.408,9 4.511,10 4.075,11 4.052,12 5.475,13 4.016,14 4.99,15 5.136,16 4.519,17 4.513,18 6.025,19 4.458,20 5.331,21 5.516,22 4.629,23 4.703,24 6.354,25 4.617,26 5.44,27 5.644,28 4.59,29 4.711,30 6.478,31 4.622,32 5.447,33 5.649,34 4.619,35 4.702,36 6.557,37 4.627,38 5.488,39 5.701,40 4.599,41 4.708,42 6.662,43 4.616,44 5.448,45 5.672,46 4.57,47 4.691,48 6.482,49 4.592,50 5.396,51 5.596,52 4.611,53 4.679,54 6.524,55 4.578,56 0.021,57 0.987,58 12.597,59 6.653,60 9.346,61 8.455,62 0.215,63 1.765,64 26.232,65 11.944,66 29.216,67 15.47,68 0.408,69 2.372,70 45.975,71 17.942,72 66.714,73 23.013,74 0.61,75 2.594,76 53.574,77 20.021,78 105.882,79 25.227,80 0.57,81 2.657,82 49.17,83 19.586,84 101.792,85 24.649,86 0.914,87 2.716,88 55.767,89 20.968,90 169.498,91 26.641,92 0.574,93 2.624,94 53.179,95 20.384,96 103.965,97 26.093,98 0.798,99 2.393,100 55.56,101 19.693,102 131.214,103 24.566,104 26,105 73,106 0.237,107 0.568,108 0.732,109 0.811,110 0.815,111 0.815,112 3.788,113 0.949,114 -5.97,115 -5.83,116 -5.42,121 47.3,123 4,124 1,127 3,129 1,132 1,137 2,138 2,144 12,145 3,146 3,158 1,160 2,176 19,179 1,180 11,183 1,185 2,187 26,191 1,192 10,195 1,197 3,200 25,205 1,206 14,211 3,214 19,218 2,219 17,224 2,227 20,231 3,232 15,235 2,239 23,244 13,251 20,256 15,261 2,264 26,268 1,269 5,274 2,277 30,281 3960,282 29.199,283 29.199,284 29.199,285 29.199,286 29.199,287 26.244,288 31.573,289 16.75,290 29.642,291 24.166,292 24.166,293 24.166,294 24.166,295 24.166,296 19.611,297 40.352,298 7.953,299 24.981,300 4.657,301 2.484,302 1.413,303 0.892,304 0.865,305 0.865,306 4.507,308 2,313 1227,314 4,317 282.814,318 520.502,320 167.538,321 148.324,325 1.714,326 51.365,329 0.5,330 0.5,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.7,337 91.167,338 546,339 4.961,340 4.379,341 8.511,342 4.851,343 3.875,344 4.253,345 2.086,346 17.408,347 3.782,348 4.404,349 3.789,350 6.489,351 4.096,352 3.097,353 3.87,354 1.946,355 10.116,356 3.097,357 4.068,358 3.586,359 6.288,360 3.73,361 2.757,362 3.676,363 0.942,364 9.17,365 2.685,366 3.998,367 3.176,368 5.994,369 3.624,370 2.649,371 3.498,372 0.827,373 8.366,374 2.59,375 3.962,376 2.941,377 5.851,378 3.623,379 2.646,380 3.334,381 0.359,382 7.58,383 2.572,384 3.83,385 2.935,386 5.565,387 3.487,388 2.515,389 3.031,390 0.357,391 7.55,392 2.441,393 3.617,394 2.798,395 5.438,396 3.271,397 2.286,398 2.95,399 0.047,400 7.02,401 2.251,402 3.503,403 2.545,404 5.382,405 3.126,406 2.205,407 2.655,409 6.154,410 1.995,411 3.379,412 2.513,413 5.107,414 2.949,415 2.03,416 2.617,418 6.083,419 1.912,420 3.145,421 2.382,422 5.085,423 2.92,424 1.929,425 2.269,427 5.643,428 1.755,429 3.124,430 2.298,431 4.881,432 2.715,433 1.744,434 2.221,436 5.241,437 1.69,438 2.903,439 2.053,440 4.776,441 2.707,442 1.738,443 1.97,445 5.204,446 1.612,447 2.839,448 1.927,449 4.472,450 2.359,451 1.354,452 1.943,454 3.643,455 1.358,456 2.598,457 1.527,458 4.192,459 2.307,460 1.304,461 1.5,463 3.181,464 1.296,465 2.5,466 1.509,467 3.639,468 2.154,469 1.156,470 1.5,472 2.938,473 1.148,474 21.129,475 0.491,476 1.193,477 0.028,478 53.75,479 1.25,480 26,481 0.605,482 27.75,483 0.645,484 47.102,485 1.095,486 44.271,487 0.598,488 48.19,489 1.121,490 10.175,491 0.237,492 10.647,493 0.248,494 0.115,495 0.024,496 0.346,501 0.579,502 1.156,503 0.585,504 0.882,505 0.491,506 0.845,507 0.63,508 1.133,509 0.679,510 0.911,511 0.503,512 0.917,513 0.909,514 1.089,515 0.919,516 1.04,517 0.852,518 1.035,519 1.184,520 1.043,521 0.88,522 0.98,523 1.307,524 0.994,525 1.165,526 1.08,527 0.703,528 0.961,529 1.325,530 0.98,531 1.088,532 0.995,533 0.778,534 0.932,535 1.238,536 0.97,537 1.114,538 0.964,539 0.729,540 0.869,541 1.196,542 0.917,543 1.129,544 0.969,545 0.986,546 1.027,547 1.275,548 1.033,549 10,550 0.521,551 5.778,552 4.236,553 3.144,554 1.845,555 1.474,556 0.803,557 0.754,558 0.598,559 31156,560 85324,561 2.16,562 41.9,564 21,567 1,568 2,569 7,572 1.824,573 2.024,574 3.593,575 -0.438,582 114.885,583 1.552,584 3.725,585 4.797,586 5.318,587 5.345,588 5.345,589 2.962,590 4.627,591 5.398,592 3.809,593 3439.25,594 9.598,595 60687.5,600 459.5,601 1.512,602 5.356,603 0.204,604 0.008,605 0.079,606 0.054,607 0.041,608 0.024,609 0.02,610 0.011,611 0.011,612 0.009,613 0.46,614 0.17,615 0.63,616 0.487,617 243.575,618 -0.017,619 -0.065,620 0.025,621 0.011,622 -0.01,623 0.034,624 0.047,625 -0.036,626 0.014,627 -0.009,628 0.044,629 -0.016,630 -0.033,631 -0.053,632 -0.073,633 -0.095,634 -0.018,635 -0.086,636 -0.109,637 -0.028,638 -0.072,639 -0.034,640 -0.115,641 -0.039,642 -0.066,643 -0.046,644 -0.011,645 -0.041,646 -0.051,647 -0.043,648 0.056,649 0.016,650 -0.011,651 0.009,652 0.087,653 -0.013,654 -0.099,655 0.046,656 0.041,657 0.079,658 -0.07,659 0.057,660 -0.01,661 0.012,662 -0.046,663 -0.05,664 -0.042,665 -0.061,666 2.094,667 7.199,668 0.791,669 48.37,670 1.003,671 1.111,672 4.742,673 22.489,674 0.71,675 3.912,676 4.304,677 4.663,678 5.017,679 5.303,680 5.455,681 5.638,682 5.784,683 5.922,684 6.052,685 7.93,686 0.673,687 612.59,688 3.912,689 5.501,690 6.399,691 7.324,692 8.248,693 9.186,694 10.123,695 11.069,696 12.017,697 12.969,698 4.1,701 1,705 2,715 12,720 6,722 18,740 2,741 74,743 23,744 3,745 49,747 80,748 35,749 18,750 6,751 12,752 5,756 7,757 9,758 2,767 4,768 2,770 5,772 25,773 10,774 2,777 5,782 3,784 2,786 5,793 31,794 6,795 1,796 8,797 2,802 3,808 0.571,809 3,825 2,828 3,829 4,831 1,832 1,841 1,843 1,844 1,849 2,850 2,855 1,859 4,865 2,868 43,876 7,877 1,880 2,881 2,882 1,892 2,893 4.1,896 3,901 21.25,902 13.269,903 9.139,904 4.67,907 2.857,908 1.308,909 1.014,910 7.448,911 12.13,912 4.159,913 4.741,914 5.295,915 5.822,916 6.34,917 6.554,918 6.895,919 7.247,920 7.498,921 7.747,922 1,923 78,924 16.135,926 7.35,927 0.026,929 7.744,931 30.929,933 27.334,936 2.244,937 96.472,941 353.133,942 189.351,943 24.259,944 78.297,945 75.435,948 189.351,949 506.865,950 24.259,952 37.59,953 132.667,954 89.978,955 28.81,957 353.133,958 78.297,959 353.133,960 213.611,961 75.435,962 78.297,964 270.735,965 157.832,968 40.715,969 153.944,970 97.25,972 353.133,973 99.694,974 267.649,977 353.133,978 56.684,979 138.916,980 18.011,981 153.732,982 353.133,983 99.694,984 267.649,986 0.596,987 0.36,988 0.202,989 0.117,990 39,991 17,992 0.05,993 4,994 2,995 1.147,996 5.001,997 490.285,998 0.118,999 35,1000 202.574,1005 28.397,1006 11.279,1007 5.016,1009 99.694,1010 22.451,1015 4.705,1017 18.011,1018 720.476,1019 63,1024 41.719,1026 3.67,1028 0.896,1031 74.189,1032 82.239,1034 0.25,1035 0.6,1036 0.773,1037 0.856,1038 0.861,1039 0.861,1040 5.453,1041 2.205,1042 6.425,1043 7.02,1044 4.99,1045 5.429,1046 2.879,1047 7.353,1048 4.935,1049 6.669,1050 2.03,1051 8.058,1052 6.154,1053 4.745,1054 5.247,1055 2.371,1056 8.72,1057 4.642,1058 8,1059 1.929,1060 9.812,1061 6.083,1062 6.708,1063 7.547,1064 3.838,1065 11.948,1066 6.611,1067 9.367,1068 1.744,1069 11.65,1070 5.643,1071 7.34,1072 8.149,1073 3.996,1074 14.363,1075 7.212,1076 10.773,1077 1.738,1078 13.555,1079 5.241,1080 8.822,1081 9.954,1082 5.079,1083 17.276,1084 8.688,1085 12.207,1086 1.354,1087 15.514,1088 5.204,1089 9.86,1090 10.924,1091 5.512,1092 20.027,1093 9.701,1094 13.665,1095 1.304,1096 17.516,1097 3.643,1098 11.206,1099 12.524,1100 6.42,1101 22.89,1102 11.031,1103 3.875,1104 1.156,1105 19.553,1106 3.181,1107 12.423,1108 13.688,1109 6.985,1110 25.722,1111 12.223,1112 3.097,1113 17.408,1114 21.618,1115 2.938,1116 13.745,1117 15.192,1118 7.803,1119 28.579,1120 13.524,1121 2.757,1122 10.116,1123 23.703,1124 4.253,1125 15.038,1126 16.465,1127 8.438,1128 31.43,1129 14.79,1130 2.649,1131 9.17,1132 25.804,1133 3.87,1134 16.366,1135 17.924,1136 9.209,1137 34.286,1138 16.094,1139 2.646,1140 8.366,1141 27.916,1142 3.676,1143 17.69,1144 19.26,1145 9.882,1146 37.141,1147 17.391,1148 2.515,1149 7.58,1150 30.036,1151 3.498,1152 19.027,1153 20.698,1154 10.629,1155 39.998,1156 18.703,1157 2.286,1158 7.55,1159 32.162,1160 3.334,1161 20.366,1162 22.072,1163 11.323,1164 42.855,1165 20.015,1166 28400,1167 47160,1168 33.115,1169 52.517,1170 76.366,1171 79.023,1172 78.447,1173 75.496,1174 75.172,1175 93.876,1176 13.129,1177 231.114,1178 72.856,1179 5.961,1180 6.379,1181 8.191,1182 5.913,1183 5.875,1184 7.253,1185 3.624,1186 25.976,1187 5.782,1188 20.142,1189 1.558,1190 1.613,1191 1.601,1192 1.541,1193 1.534,1194 1.916,1195 0.268,1196 4.717,1197 1.487,1198 4.123,1199 4.158,1200 4.081,1201 4.022,1202 7.432,1203 4.028,1204 3.996,1205 4.02,1206 4.013,1207 3.931,1208 7.426,1209 3.93,1210 3.897,1211 3.919,1212 3.984,1213 3.857,1214 7.424,1215 3.847,1216 3.823,1217 3.868,1218 3.818,1219 3.723,1220 4.96,1221 3.719,1222 3.772,1223 3.806,1224 3.721,1225 3.661,1226 4.935,1227 3.665,1228 3.547,1229 3.587,1230 3.478,1231 3.413,1232 4.767,1233 3.409,1234 3.369,1235 3.397,1236 3.44,1237 3.224,1238 4.476,1239 3.209,1240 3.287,1241 3.324,1242 3.319,1243 3.17,1244 4.382,1245 3.198,1246 0.101,1247 0.089,1248 0.174,1249 0.099,1250 0.079,1251 4.961,1252 0.087,1253 4.379,1254 0.043,1255 8.511,1256 0.355,1257 4.851,1258 0.077,1259 3.875,1260 4.253,1261 2.086,1262 17.408,1263 3.782,1264 1.968,1265 1.947,1266 2.059,1267 2.063,1268 1.386,1269 2.063,1270 1.902,1271 1.879,1272 2.009,1273 1.98,1274 1.239,1275 1.991,1276 1.9,1277 1.878,1278 1.99,1279 1.961,1280 1.194,1281 1.978,1282 1.762,1283 1.728,1284 1.927,1285 1.899,1286 1.101,1287 1.907,1288 1.688,1289 1.649,1290 1.851,1291 1.824,1292 1.1,1293 1.842,1294 1.544,1295 1.496,1296 1.762,1297 1.744,1298 1.013,1299 1.728,1300 1.49,1301 1.423,1302 1.684,1303 1.688,1304 0.964,1305 1.716,1306 1.294,1307 1.259,1308 1.477,1309 1.49,1310 0.7,1311 1.457,1312 4.595,1314 5.969,1315 3.434,1316 7.54,1317 5.938,1318 9.209,1319 8.174,1320 10.94,1323 12.182,1328 4.349,1329 3.121,1332 0.109,1333 4.115,1334 -0.844,1340 49.766,1341 114.885,1342 275.667,1343 354.97,1344 393.5,1345 395.5,1346 395.5,1347 97.576,1348 9.272,1349 69.72,1350 69.72,1351 39,1352 13.458,1353 4.585,1354 3.907,1355 57.806,1356 202,1357 224,1358 0.135,1359 302.802,1360 547.67,1361 730.598,1362 162859,1363 2.7,1364 29.717,1365 0.691,1366 0.583,1367 30.717,1368 25.074,1369 20.823,1370 0.425,1371 0.316,1372 14.698,1373 19.765,1374 14.332,1375 11.699,1376 21.4,1377 15.507,1378 19.565,1379 0.268,1380 0.175,1381 20.381,1382 12.786,1383 17.359,1384 0.165,1385 0.094,1386 17.936,1387 9.915,1388 15.069,1389 0.1,1390 0.052,1391 15.402,1392 7.792,1393 13.017,1394 0.065,1395 0.029,1396 13.488,1397 5.803,1398 0.209,1399 134.517,1400 0.174,1401 37.351,1402 0.379,1403 244,1404 637.236,1405 289.12,1406 682.93,1407 917.42,1408 636,1409 300,1410 628.874,1411 335.57,1412 659.96,1413 980.03,1414 624,1415 5.474}
{0 CHEMBL2332980,1 1.552,2 12.698,3 4.9,4 24.005,5 161.139,6 7.834,7 0.367,8 4.413,9 4.52,10 4.027,11 4.019,12 5.527,13 4,14 4.995,15 5.145,16 4.458,17 4.472,18 6.098,19 4.437,20 5.338,21 5.53,22 4.569,23 4.656,24 6.432,25 4.594,26 5.444,27 5.653,28 4.557,29 4.681,30 6.521,31 4.609,32 5.448,33 5.652,34 4.591,35 4.685,36 6.578,37 4.618,38 5.491,39 5.707,40 4.569,41 4.685,42 6.689,43 4.605,44 5.452,45 5.677,46 4.512,47 4.657,48 6.519,49 4.574,50 5.405,51 5.613,52 4.506,53 4.63,54 6.659,55 4.55,56 0.051,57 1.164,58 13.359,59 7.07,60 14.42,61 8.562,62 0.267,63 2.034,64 26.818,65 12.311,66 37.156,67 15.438,68 0.549,69 2.716,70 42.957,71 17.768,72 94.734,73 22.237,74 0.773,75 2.796,76 50.78,77 19.539,78 142.567,79 24.624,80 0.684,81 2.716,82 49.925,83 19.331,84 118.692,85 24.724,86 1.044,87 2.818,88 54.383,89 20.419,90 192.925,91 26.276,92 0.697,93 2.755,94 52.313,95 19.857,96 124.932,97 25.761,98 1.12,99 2.8,100 49.702,101 19.163,102 200.371,103 23.84,104 26,105 73,106 0.237,107 0.568,108 0.732,109 0.811,110 0.815,111 0.815,112 3.788,113 0.903,114 -5.8,115 -5.66,116 -5.27,121 47.3,123 4,124 1,127 3,129 1,132 1,137 2,138 2,144 12,145 3,146 3,158 1,160 2,176 19,179 1,180 11,183 1,185 2,187 22,191 1,192 10,195 1,197 3,200 21,205 1,206 14,211 3,214 17,218 2,219 17,224 2,227 18,231 3,232 15,235 2,239 21,244 13,251 20,256 11,261 2,264 24,268 1,269 5,274 2,277 28,281 3960,282 29.199,283 29.199,284 29.199,285 29.199,286 29.199,287 26.244,288 31.626,289 16.75,290 29.494,291 24.166,292 24.166,293 24.166,294 24.166,295 24.166,296 19.611,297 40.394,298 7.953,299 24.679,300 4.657,301 2.484,302 1.413,303 0.892,304 0.865,305 0.865,306 4.507,313 1227,314 4,317 282.814,318 520.502,320 167.538,321 148.324,325 1.714,326 65.078,329 0.5,330 0.5,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.7,337 93.5,338 546,339 4.961,340 4.379,341 8.511,342 4.851,343 3.875,344 4.253,345 2.086,346 17.408,347 3.782,348 4.404,349 3.789,350 6.489,351 4.096,352 3.097,353 3.87,354 1.946,355 10.116,356 3.098,357 4.068,358 3.586,359 6.288,360 3.731,361 2.757,362 3.676,363 0.942,364 9.17,365 2.685,366 3.998,367 3.176,368 5.994,369 3.633,370 2.649,371 3.498,372 0.827,373 8.366,374 2.612,375 3.962,376 2.921,377 5.851,378 3.627,379 2.646,380 3.334,381 0.359,382 7.58,383 2.578,384 3.83,385 2.914,386 5.565,387 3.502,388 2.515,389 3.031,390 0.357,391 7.55,392 2.476,393 3.617,394 2.798,395 5.438,396 3.271,397 2.286,398 2.95,399 0.047,400 7.02,401 2.251,402 3.503,403 2.54,404 5.382,405 3.162,406 2.205,407 2.655,409 6.154,410 2.096,411 3.379,412 2.512,413 5.107,414 2.988,415 2.03,416 2.617,418 6.083,419 1.923,420 3.145,421 2.382,422 5.085,423 2.924,424 1.929,425 2.269,427 5.643,428 1.904,429 3.124,430 2.294,431 4.881,432 2.724,433 1.744,434 2.221,436 5.241,437 1.697,438 2.903,439 2.051,440 4.776,441 2.715,442 1.738,443 1.97,445 5.204,446 1.69,447 2.839,448 1.927,449 4.472,450 2.359,451 1.354,452 1.943,454 3.643,455 1.358,456 2.598,457 1.527,458 4.192,459 2.307,460 1.304,461 1.5,463 3.181,464 1.297,465 2.5,466 1.508,467 3.639,468 2.154,469 1.156,470 1.5,472 2.938,473 1.148,474 20.271,475 0.471,476 1.193,477 0.028,478 53.75,479 1.25,480 26,481 0.605,482 27.75,483 0.645,484 45.128,485 1.049,486 45.129,487 0.61,488 50.164,489 1.167,490 10.437,491 0.243,492 10.385,493 0.242,494 0.078,495 0.025,496 0.36,499 2,501 0.545,502 1.014,503 0.693,504 0.976,505 0.483,506 0.89,507 0.596,508 1.021,509 0.813,510 1.012,511 0.494,512 0.967,513 0.872,514 0.988,515 0.989,516 1.052,517 0.819,518 1.043,519 0.995,520 0.86,521 1.031,522 0.973,523 1.026,524 1,525 0.87,526 0.826,527 0.98,528 1.023,529 0.892,530 1.024,531 0.867,532 0.792,533 0.993,534 0.959,535 0.906,536 0.995,537 0.881,538 0.816,539 0.959,540 0.945,541 0.877,542 0.962,543 0.996,544 0.858,545 1.071,546 0.976,547 1.06,548 1.03,549 10,550 0.521,551 5.778,552 4.236,553 3.144,554 1.845,555 1.474,556 0.803,557 0.754,558 0.598,559 31156,560 85324,561 2.16,562 41.9,564 21,567 1,568 2,569 7,572 1.824,573 2.024,574 3.593,575 -0.438,582 114.885,583 1.552,584 3.725,585 4.797,586 5.318,587 5.345,588 5.345,589 2.962,590 4.627,591 5.398,592 3.809,593 3439.25,594 9.598,595 60687.5,600 459.5,601 1.512,602 5.356,603 0.204,604 0.008,605 0.079,606 0.054,607 0.041,608 0.024,609 0.02,610 0.011,611 0.011,612 0.009,613 0.46,614 0.17,615 0.63,616 0.487,617 243.575,618 -0.017,619 -0.048,620 0.047,621 0.016,622 -0.008,623 0.039,624 0.029,625 -0.064,626 0.006,627 -0.043,628 0.044,629 -0.029,630 -0.045,631 -0.036,632 -0.068,633 -0.079,634 -0.024,635 -0.077,636 -0.096,637 -0.005,638 -0.067,639 -0.009,640 -0.095,641 -0.025,642 -0.049,643 -0.055,644 -0.035,645 -0.072,646 -0.03,647 -0.054,648 0.03,650 -0.013,651 -0.002,652 0.042,653 -0.015,654 -0.069,655 -0.022,656 0.015,657 0.017,658 -0.045,659 0.033,660 0.039,661 0.083,662 -0.083,663 0.005,664 0.024,665 -0.052,666 2.14,667 7.135,668 0.791,669 48.37,670 1.008,671 1.122,672 4.565,673 20.841,674 0.685,675 3.912,676 4.304,677 4.663,678 5.017,679 5.303,680 5.455,681 5.638,682 5.784,683 5.922,684 6.052,685 7.93,686 0.661,687 579.69,688 3.912,689 5.501,690 6.399,691 7.324,692 8.248,693 9.186,694 10.123,695 11.069,696 12.017,697 12.969,698 4.1,701 1,705 2,715 12,720 6,722 18,740 2,741 74,743 23,744 3,745 49,747 80,748 35,749 18,750 6,751 12,752 5,756 7,757 9,767 4,768 2,770 5,772 25,773 10,774 2,777 5,782 3,784 2,786 5,791 2,793 31,794 8,795 1,796 8,802 3,808 0.571,809 3,825 2,828 3,829 4,831 1,832 1,841 1,843 1,844 1,849 2,850 2,855 1,859 4,866 2,868 43,876 7,877 1,880 2,881 2,882 1,892 2,893 4.1,896 3,901 21.25,902 13.269,903 9.139,904 4.67,907 2.857,908 1.308,909 1.018,910 7.02,911 12.13,912 4.159,913 4.741,914 5.295,915 5.822,916 6.34,917 6.554,918 6.895,919 7.247,920 7.498,921 7.747,922 1,923 78,924 16.226,926 7.501,927 0.026,929 7.924,931 30.65,933 27.118,936 2.424,937 104.25,941 353.133,942 200.592,943 24.259,945 75.435,946 29.92,948 200.592,949 428.568,950 54.18,952 37.59,953 132.667,954 89.978,955 40.051,956 29.92,957 353.133,959 353.133,960 224.852,961 105.355,964 300.656,965 157.832,968 40.715,969 165.184,970 18.952,972 383.053,973 99.694,974 200.592,977 353.133,978 67.925,979 138.916,980 18.011,981 105.355,982 353.133,983 129.614,984 200.592,986 0.596,987 0.36,988 0.202,989 0.117,990 39,991 17,992 0.05,993 4,994 2,995 1.147,996 5.001,997 490.285,998 0.118,999 35,1000 205.329,1005 27.737,1006 10.883,1007 4.804,1009 129.614,1010 19.428,1015 2.271,1017 18.011,1018 683.34,1019 63,1024 41.524,1026 3.376,1028 0.402,1031 74.567,1032 83.031,1034 0.25,1035 0.6,1036 0.773,1037 0.856,1038 0.861,1039 0.861,1040 5.453,1041 2.205,1042 6.425,1043 7.02,1044 4.99,1045 5.429,1046 2.879,1047 7.353,1048 4.952,1049 6.669,1050 2.03,1051 8.058,1052 6.154,1053 4.745,1054 5.247,1055 2.371,1056 8.72,1057 4.676,1058 8,1059 1.929,1060 9.812,1061 6.083,1062 6.708,1063 7.547,1064 3.838,1065 11.948,1066 6.63,1067 9.367,1068 1.744,1069 11.65,1070 5.643,1071 7.34,1072 8.149,1073 3.996,1074 14.363,1075 7.235,1076 10.773,1077 1.738,1078 13.555,1079 5.241,1080 8.822,1081 9.954,1082 5.079,1083 17.276,1084 8.703,1085 12.207,1086 1.354,1087 15.514,1088 5.204,1089 9.86,1090 10.924,1091 5.512,1092 20.027,1093 9.714,1094 13.665,1095 1.304,1096 17.516,1097 3.643,1098 11.206,1099 12.524,1100 6.42,1101 22.89,1102 11.04,1103 3.875,1104 1.156,1105 19.553,1106 3.181,1107 12.423,1108 13.688,1109 6.985,1110 25.722,1111 12.23,1112 3.097,1113 17.408,1114 21.618,1115 2.938,1116 13.745,1117 15.192,1118 7.803,1119 28.579,1120 13.529,1121 2.757,1122 10.116,1123 23.703,1124 4.253,1125 15.038,1126 16.465,1127 8.438,1128 31.43,1129 14.794,1130 2.649,1131 9.17,1132 25.804,1133 3.87,1134 16.366,1135 17.924,1136 9.209,1137 34.286,1138 16.096,1139 2.646,1140 8.366,1141 27.916,1142 3.676,1143 17.69,1144 19.26,1145 9.882,1146 37.141,1147 17.393,1148 2.515,1149 7.58,1150 30.036,1151 3.498,1152 19.027,1153 20.698,1154 10.629,1155 39.998,1156 18.704,1157 2.286,1158 7.55,1159 32.162,1160 3.334,1161 20.366,1162 22.072,1163 11.323,1164 42.855,1165 20.016,1166 28400,1167 47160,1168 33.115,1169 50.677,1170 76.366,1171 78.961,1172 78.447,1173 75.293,1174 75.172,1175 93.876,1176 13.129,1177 231.114,1178 73.739,1179 5.961,1180 6.379,1181 8.191,1182 5.913,1183 5.875,1184 7.253,1185 3.624,1186 25.976,1187 5.782,1188 20.142,1189 1.558,1190 1.611,1191 1.601,1192 1.537,1193 1.534,1194 1.916,1195 0.268,1196 4.717,1197 1.505,1198 4.123,1199 4.159,1200 4.069,1201 4.021,1202 8.203,1203 4.027,1204 3.998,1205 4.024,1206 3.951,1207 3.924,1208 8.2,1209 3.926,1210 3.902,1211 3.928,1212 3.851,1213 3.842,1214 7.432,1215 3.839,1216 3.823,1217 3.868,1218 3.742,1219 3.722,1220 7.426,1221 3.718,1222 3.775,1223 3.813,1224 3.705,1225 3.649,1226 7.424,1227 3.659,1228 3.547,1229 3.589,1230 3.452,1231 3.411,1232 4.773,1233 3.408,1234 3.369,1235 3.398,1236 3.305,1237 3.203,1238 4.697,1239 3.198,1240 3.293,1241 3.335,1242 3.216,1243 3.168,1244 4.654,1245 3.198,1246 0.101,1247 0.089,1248 0.174,1249 0.099,1250 0.079,1251 4.961,1252 0.087,1253 4.379,1254 0.043,1255 8.511,1256 0.355,1257 4.851,1258 0.077,1259 3.875,1260 4.253,1261 2.086,1262 17.408,1263 3.782,1264 1.967,1265 1.945,1266 2.063,1267 2.068,1268 1.386,1269 2.066,1270 1.902,1271 1.878,1272 2.01,1273 1.981,1274 1.237,1275 1.991,1276 1.897,1277 1.874,1278 1.999,1279 1.979,1280 1.194,1281 1.986,1282 1.761,1283 1.725,1284 1.928,1285 1.907,1286 1.101,1287 1.91,1288 1.687,1289 1.647,1290 1.856,1291 1.83,1292 1.091,1293 1.845,1294 1.544,1295 1.496,1296 1.764,1297 1.744,1298 1.005,1299 1.729,1300 1.49,1301 1.422,1302 1.684,1303 1.69,1304 0.962,1305 1.716,1306 1.291,1307 1.252,1308 1.483,1309 1.493,1310 0.695,1311 1.458,1312 4.595,1314 5.969,1315 3.434,1316 7.54,1317 5.938,1318 9.209,1319 8.174,1320 10.94,1324 27.118,1328 3.94,1329 3.086,1332 0.015,1333 3.98,1334 -0.89,1340 48.877,1341 114.885,1342 275.667,1343 354.97,1344 393.5,1345 395.5,1346 395.5,1347 110.232,1348 9.272,1349 69.72,1350 69.72,1351 39,1352 13.458,1353 4.585,1354 3.907,1355 57.806,1356 202,1357 224,1358 0.135,1359 288.533,1360 529.39,1361 695.781,1362 162859,1363 2.7,1364 29.717,1365 0.691,1366 0.548,1367 27.976,1368 23.562,1369 20.823,1370 0.425,1371 0.301,1372 14.587,1373 20.147,1374 14.332,1375 11.699,1376 20.035,1377 14.752,1378 19.565,1379 0.268,1380 0.163,1381 18.321,1382 11.913,1383 17.359,1384 0.165,1385 0.09,1386 16.538,1387 9.411,1388 15.069,1389 0.1,1390 0.05,1391 14.785,1392 7.54,1393 13.017,1394 0.065,1395 0.028,1396 12.435,1397 5.512,1398 0.209,1399 129.898,1400 0.174,1401 37.351,1402 0.379,1403 244,1404 757.052,1405 265.743,1406 682.93,1407 917.42,1408 636,1409 300,1410 661.815,1411 321.873,1412 659.96,1413 980.03,1414 624,1415 4.702}
{0 CHEMBL2332981,1 1.445,2 12.722,3 4.518,4 20.417,5 205.911,6 7.401,7 0.359,8 4.693,9 4.806,10 4.279,11 4.304,12 5.699,13 4.275,14 5.317,15 5.472,16 4.758,17 4.815,18 6.265,19 4.768,20 5.692,21 5.887,22 4.94,23 5.052,24 6.639,25 4.982,26 5.853,27 6.051,28 5.045,29 5.145,30 6.876,31 5.078,32 5.938,33 6.136,34 5.071,35 5.175,36 7.067,37 5.106,38 5.968,39 6.19,40 4.988,41 5.161,42 7.065,43 5.066,44 5.921,45 6.151,46 4.927,47 5.129,48 6.946,49 5.028,50 5.882,51 6.102,52 4.927,53 5.141,54 6.858,55 5.043,56 0.042,57 1.403,58 19.723,59 9.2,60 11.169,61 12.004,62 0.323,63 2.586,64 39.768,65 16.757,66 40.976,67 22.545,68 0.558,69 3.586,70 62.611,71 24.957,72 72.862,73 33.603,74 0.741,75 4.092,76 75.564,77 28.909,78 118.271,79 38.257,80 1.126,81 4.387,82 83.802,83 30.756,84 185.178,85 40.051,86 1.291,87 4.43,88 89.1,89 32.703,90 222.992,91 43.503,92 0.968,93 4.241,94 84.959,95 31.851,96 176.904,97 42.835,98 0.796,99 4.096,100 80.409,101 31.064,102 151.16,103 41.329,104 17,105 101,106 0.208,107 0.523,108 0.688,109 0.816,110 0.867,111 0.899,112 4.011,113 0.925,114 -5.08,115 -4.98,116 -4.66,121 46.4,123 7,124 1,125 1,127 4,129 2,132 2,137 1,138 1,144 15,145 5,146 2,158 1,160 3,176 26,179 1,180 16,183 2,185 4,187 31,191 2,192 13,195 2,197 6,200 32,205 3,206 20,211 5,214 31,218 4,219 24,222 2,224 5,227 29,231 4,232 22,235 2,237 1,239 29,243 1,244 26,247 1,249 2,251 28,256 22,261 5,264 33,268 2,269 17,274 6,277 43,281 6580,282 37.432,283 37.432,284 37.432,285 37.432,286 37.432,287 34.096,288 45.888,289 21.116,290 37.726,291 31.566,292 31.566,293 31.566,294 31.566,295 31.566,296 26.388,297 67.656,298 9.845,299 32.041,300 5.155,301 2.966,302 1.817,303 0.932,304 0.577,305 0.351,306 4.752,312 1,313 1606,314 4.743,317 624.714,318 634.661,320 366.129,321 336.35,322 223.085,325 1.525,326 68.268,329 0.75,330 0.5,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.73,337 114.5,338 687,339 5.185,340 4.571,341 9.087,342 5.108,343 4.123,344 4.454,345 2.086,346 19.713,347 4.064,348 4.961,349 4.379,350 8.511,351 4.851,352 3.875,353 4.391,354 2.086,355 17.408,356 3.782,357 4.522,358 3.846,359 7.302,360 4.141,361 3.147,362 4.253,363 1.943,364 12.206,365 3.128,366 4.335,367 3.672,368 6.517,369 4.014,370 3.016,371 3.742,372 1.277,373 10.242,374 3.009,375 3.993,376 3.176,377 6.289,378 3.74,379 2.766,380 3.337,381 0.942,382 9.177,383 2.693,384 3.949,385 3.167,386 6.274,387 3.696,388 2.731,389 3.299,390 0.942,391 9.104,392 2.632,393 3.833,394 3.032,395 6.07,396 3.593,397 2.616,398 3.044,399 0.736,400 8.584,401 2.545,402 3.614,403 2.798,404 5.914,405 3.355,406 2.364,407 2.893,408 0.357,409 7.784,410 2.335,411 3.503,412 2.798,413 5.854,414 3.272,415 2.286,416 2.619,417 0.357,418 7.541,419 2.252,420 3.498,421 2.595,422 5.73,423 3.178,424 2.175,425 2.617,426 0.079,427 7.192,428 2.177,429 3.308,430 2.473,431 5.441,432 2.956,433 1.956,434 2.469,435 0.047,436 6.108,437 1.953,438 3.146,439 2.374,440 5.187,441 2.92,442 1.92,443 2.427,444 0.047,445 5.977,446 1.909,447 3.118,448 2.213,449 5.138,450 2.743,451 1.76,452 2.221,454 5.275,455 1.72,456 3.032,457 2.056,458 5.085,459 2.715,460 1.738,461 2.14,463 5.242,464 1.69,465 2.903,466 1.926,467 4.531,468 2.618,469 1.618,470 1.97,472 3.792,473 1.618,474 25.833,475 0.478,476 1.503,477 0.028,478 66.75,479 1.236,480 30.5,481 0.565,482 36.25,483 0.671,484 69.674,485 1.29,486 55.767,487 0.575,488 67.211,489 1.245,490 12.065,491 0.223,492 14.292,493 0.265,494 0.052,495 0.058,496 0.337,501 0.637,502 1.188,503 0.753,504 0.975,505 0.484,506 0.889,507 0.648,508 1.136,509 0.846,510 0.975,511 0.495,512 0.933,513 0.887,514 1.037,515 0.926,516 0.995,517 0.824,518 0.964,519 1.215,520 1.076,521 0.986,522 1.016,523 1.255,524 0.978,525 1.46,526 1.072,527 1.111,528 1.053,529 1.546,530 1.04,531 1.309,532 0.98,533 1.075,534 0.987,535 1.382,536 1.001,537 1.201,538 0.962,539 1.026,540 0.969,541 1.206,542 0.974,543 1.245,544 0.95,545 1.036,546 0.953,547 1.287,548 0.969,549 11.5,550 0.941,551 9.333,552 7.722,553 4.849,554 2.988,555 2.076,556 1.268,557 1.237,558 1.018,559 54550,560 117490,561 2.26,562 44.3,564 26,567 2,568 2,569 13,572 1.88,573 2.139,574 3.544,575 -0.003,582 140.119,583 1.445,584 3.634,585 4.782,586 5.668,587 6.023,588 6.249,589 2.865,590 5.422,591 5.731,592 3.756,593 5375,594 10.285,595 104646,600 640.192,601 1.52,602 5.691,603 0.18,604 0.007,605 0.092,606 0.066,607 0.038,608 0.024,609 0.018,610 0.012,611 0.011,612 0.008,613 0.456,614 0.33,615 0.75,616 0.385,617 319.387,618 -0.015,619 -0.064,620 0.073,621 0.029,623 0.056,624 0.076,625 -0.022,626 0.036,627 0.006,628 0.028,629 0.013,630 0.028,631 0.013,632 0.021,633 -0.014,634 -0.003,635 0.001,636 -0.035,637 -0.051,638 -0.003,639 -0.041,640 -0.058,641 -0.021,642 -0.039,643 -0.049,644 -0.1,645 -0.09,646 -0.041,647 -0.101,648 0.009,649 0.007,650 -0.05,651 -0.013,652 0.022,653 -0.034,654 -0.043,655 0.017,656 -0.013,657 0.014,658 0.002,659 0.008,660 -0.131,661 0.029,662 -0.04,663 0.04,664 -0.098,665 0.016,666 2.486,667 8.595,668 0.87,669 57.005,670 0.996,671 1.116,672 3.852,673 14.837,674 0.684,675 4.174,676 4.625,677 5.094,678 5.537,679 5.852,680 6.087,681 6.33,682 6.516,683 6.7,684 6.887,685 7.952,686 0.649,687 717.93,688 4.174,689 5.802,690 6.753,691 7.728,692 8.704,693 9.69,694 10.677,695 11.669,696 12.661,697 13.657,698 5.2,701 2,705 3,714 2,715 15,720 5,722 23,741 97,743 28,744 4,745 64,747 107,748 45,749 22,750 7,751 15,752 3,756 11,757 16,764 1,766 1,767 8,768 3,770 9,772 28,773 17,774 3,777 5,782 4,784 1,786 5,793 43,794 9,795 2,796 9,802 5,808 0.273,809 4,825 4,828 6,829 5,831 2,832 2,833 1,841 1,843 2,844 1,849 1,850 1,855 2,859 3,868 54,876 11,877 2,880 3,881 3,882 3,893 4.1,896 4,901 25.25,902 17.35,903 11.285,904 6.426,907 3.403,908 1.315,909 1.037,910 7.102,911 14.224,912 4.401,913 5.014,914 5.645,915 6.256,916 6.79,917 7.094,918 7.504,919 7.882,920 8.204,921 8.449,922 1,923 117,924 20.527,926 9.872,927 0.026,929 7.634,931 39.77,933 37.128,936 2.134,937 115.25,941 482.615,942 220.434,943 45.394,945 100.58,948 220.434,949 583.195,950 45.394,952 65.31,953 151.62,954 119.827,955 29.65,957 482.615,959 482.615,960 265.828,961 100.58,964 329.591,965 253.604,968 71.559,969 184.793,970 9.476,972 482.615,973 145.974,974 220.434,977 482.615,978 68.814,979 160.993,980 36.022,981 100.58,982 482.615,983 145.974,984 220.434,986 0.603,987 0.391,988 0.242,989 0.136,990 60,991 24,992 0.028,993 3,994 5,995 1.277,996 5.486,997 763.141,998 0.213,999 50,1000 302.009,1005 32.788,1006 11.697,1007 4.206,1008 2.102,1009 145.974,1010 30.013,1015 4.286,1017 36.022,1018 849.023,1019 80.5,1024 59.781,1026 1.982,1028 0.233,1031 96.607,1032 108.218,1034 0.219,1035 0.551,1036 0.725,1037 0.859,1038 0.913,1039 0.947,1040 5.739,1041 2.364,1042 6.812,1043 8.584,1044 5.313,1045 5.704,1046 3.386,1047 7.857,1048 5.284,1049 6.972,1050 2.286,1051 8.519,1052 7.784,1053 5.198,1054 5.624,1055 2.78,1056 9.504,1057 5.152,1058 8.34,1059 2.175,1060 10.358,1061 7.541,1062 7.157,1063 7.885,1064 4.348,1065 12.798,1066 7.091,1067 9.751,1068 1.956,1069 12.289,1070 7.192,1071 7.959,1072 8.652,1073 4.447,1074 15.391,1075 7.875,1076 11.209,1077 1.92,1078 14.286,1079 6.108,1080 9.458,1081 10.427,1082 5.581,1083 18.385,1084 9.356,1085 12.701,1086 1.76,1087 16.331,1088 5.977,1089 10.631,1090 11.572,1091 5.988,1092 21.245,1093 10.511,1094 14.219,1095 1.738,1096 18.413,1097 5.275,1098 12.02,1099 13.168,1100 6.924,1101 24.197,1102 11.883,1103 4.123,1104 1.618,1105 20.522,1106 5.242,1107 13.33,1108 14.486,1109 7.482,1110 27.125,1111 13.175,1112 3.875,1113 19.713,1114 22.652,1115 3.792,1116 14.704,1117 16.01,1118 8.318,1119 30.076,1120 14.533,1121 3.147,1122 17.408,1123 24.796,1124 4.454,1125 16.064,1126 17.409,1127 8.954,1128 33.025,1129 15.876,1130 3.016,1131 12.206,1132 26.952,1133 4.391,1134 17.445,1135 18.904,1136 9.738,1137 35.982,1138 17.24,1139 2.766,1140 10.242,1141 29.117,1142 4.253,1143 18.825,1144 20.342,1145 10.416,1146 38.94,1147 18.604,1148 2.731,1149 9.177,1150 31.288,1151 3.742,1152 20.214,1153 21.825,1154 11.173,1155 41.901,1156 19.977,1157 2.616,1158 9.104,1159 33.464,1160 3.337,1161 21.604,1162 23.283,1163 11.873,1164 44.864,1165 21.351,1166 47572,1167 69991,1168 44.035,1169 66.313,1170 101.956,1171 105.168,1172 106.558,1173 100.867,1174 100.877,1175 123.13,1176 21.804,1177 331.828,1178 99.575,1179 6.185,1180 6.571,1181 8.776,1182 6.172,1183 6.123,1184 7.454,1185 3.624,1186 29.705,1187 6.064,1188 19.632,1189 1.593,1190 1.643,1191 1.665,1192 1.576,1193 1.576,1194 1.924,1195 0.341,1196 5.185,1197 1.556,1198 4.185,1199 4.217,1200 4.136,1201 4.103,1202 7.435,1203 4.105,1204 4.084,1205 4.118,1206 4.037,1207 4.011,1208 7.427,1209 4.013,1210 4.066,1211 4.088,1212 4.022,1213 3.984,1214 7.425,1215 3.991,1216 3.852,1217 3.888,1218 3.788,1219 3.756,1220 7.422,1221 3.757,1222 3.819,1223 3.866,1224 3.724,1225 3.718,1226 4.911,1227 3.713,1228 3.755,1229 3.808,1230 3.654,1231 3.615,1232 4.78,1233 3.617,1234 3.556,1235 3.598,1236 3.46,1237 3.429,1238 4.752,1239 3.425,1240 3.473,1241 3.517,1242 3.367,1243 3.381,1244 4.415,1245 3.371,1246 0.081,1247 0.071,1248 0.142,1249 0.08,1250 0.064,1251 5.185,1252 0.07,1253 4.571,1254 0.033,1255 9.087,1256 0.308,1257 5.108,1258 0.063,1259 4.123,1260 4.454,1261 2.086,1262 19.713,1263 4.064,1264 2.088,1265 2.071,1266 2.168,1267 2.141,1268 1.423,1269 2.15,1270 1.929,1271 1.907,1272 2.032,1273 2.035,1274 1.375,1275 2.033,1276 1.901,1277 1.877,1278 2.006,1279 1.978,1280 1.301,1281 1.988,1282 1.822,1283 1.79,1284 1.952,1285 1.938,1286 1.21,1287 1.945,1288 1.715,1289 1.672,1290 1.918,1291 1.857,1292 1.196,1293 1.877,1294 1.606,1295 1.55,1296 1.847,1297 1.765,1298 1.122,1299 1.798,1300 1.547,1301 1.498,1302 1.772,1303 1.744,1304 1.098,1305 1.732,1306 1.517,1307 1.474,1308 1.703,1309 1.74,1310 1.01,1311 1.724,1312 4.86,1314 6.279,1315 4.111,1316 7.913,1317 6.648,1318 9.659,1319 8.909,1320 11.473,1328 7.201,1329 6.371,1332 0.053,1333 6.557,1334 -3.329,1340 62.975,1341 140.119,1342 352.472,1343 463.898,1344 549.785,1345 584.192,1346 606.192,1347 124.24,1348 10.82,1349 102.06,1350 102.06,1351 60,1352 14.119,1353 4.858,1354 4.129,1355 61.522,1356 255,1357 262,1358 0.114,1359 364.217,1360 655.42,1361 880.449,1362 957166,1364 36.398,1365 0.674,1366 0.56,1367 36.398,1368 30.222,1369 26.357,1370 0.412,1371 0.308,1372 19.553,1373 25.709,1374 19.205,1375 15.602,1376 26.357,1377 19.724,1378 24.993,1379 0.247,1380 0.165,1381 24.993,1382 16.695,1383 24.013,1384 0.148,1385 0.089,1386 24.013,1387 14.363,1388 22.974,1389 0.091,1390 0.049,1391 22.974,1392 12.447,1393 19.779,1394 0.057,1395 0.027,1396 19.779,1397 9.36,1398 0.173,1399 162.873,1400 0.151,1401 43.674,1402 0.334,1403 330,1404 768.543,1405 351.43,1406 750.813,1407 1060,1408 706,1409 428,1410 809.207,1411 453.455,1412 820.739,1413 1250.28,1414 781,1415 4.686}
{0 CHEMBL235014,1 1.387,2 15.947,3 6.247,4 39.03,5 154.581,6 6.72,7 0.512,8 4.415,9 4.541,10 3.91,11 3.97,12 5.35,13 3.928,14 5.008,15 5.19,16 4.24,17 4.386,18 5.882,19 4.312,20 5.29,21 5.53,22 4.346,23 4.531,24 6.12,25 4.43,26 5.262,27 5.498,28 4.286,29 4.517,30 6.075,31 4.406,32 5.306,33 5.546,34 4.218,35 4.533,36 6.081,37 4.405,38 5.365,39 5.618,40 4.105,41 4.516,42 6.106,43 4.349,44 5.361,45 5.649,46 3.928,47 4.366,48 6.055,49 4.174,50 5.149,51 5.445,52 3.732,53 4.121,54 5.816,55 3.948,56 0.073,57 1.089,58 17.63,59 7.453,60 8.914,61 10.267,62 0.274,63 1.823,64 33.524,65 12.759,66 25.119,67 17.839,68 0.618,69 2.316,70 45.795,71 16.053,72 46.634,73 23.514,74 0.399,75 2.328,76 43.966,77 15.572,78 37.233,79 22.964,80 0.418,81 2.345,82 46.222,83 16.494,84 37.04,85 24,86 0.488,87 2.333,88 49.313,89 18.663,90 42.306,91 26.631,92 0.534,93 2.136,94 50.293,95 18.59,96 48.776,97 26.425,98 0.443,99 1.696,100 41.202,101 14.462,102 37.395,103 20.524,105 58,106 0.213,107 0.501,108 0.651,109 0.724,110 0.748,111 0.748,112 3.667,113 0.999,114 -4.27,115 -4.21,116 -3.97,121 42.1,123 8,127 6,144 8,145 4,146 2,148 4,176 16,180 8,185 4,187 18,191 1,192 8,195 2,197 4,200 12,206 4,209 2,211 8,214 12,219 4,224 4,227 16,232 4,235 2,239 12,243 2,244 8,251 4,256 8,269 4,273 1,281 2696,282 26.932,283 26.932,284 26.932,285 26.932,286 26.932,287 24.357,288 27.26,289 16.646,290 27.475,291 21.356,292 21.356,293 21.356,294 21.356,295 21.356,296 17.308,297 28.524,298 7.989,299 22.206,300 4.861,301 2.982,302 2,303 1.526,304 1.368,305 1.368,306 4.395,312 1,313 1374,314 3.873,318 560.122,322 640.131,325 2.177,326 23.694,329 0.75,330 0.5,331 0.67,332 0.7,333 0.5,334 0.67,335 0.5,336 0.61,337 80,338 606,339 4.64,340 3.361,341 6.829,342 4.206,343 3.226,344 4.564,345 0.86,346 11.348,347 3.162,348 4.64,349 3.361,350 6.829,351 4.206,352 3.226,353 4.564,354 0.86,355 11.348,356 3.162,357 3.914,358 2.67,359 5.982,360 3.524,361 2.532,362 3.437,363 0.4,364 8.37,365 2.512,366 3.914,367 2.669,368 5.982,369 3.524,370 2.532,371 3.437,372 0.4,373 8.37,374 2.512,375 3.522,376 2.531,377 5.381,378 3.134,379 2.184,380 2.893,382 6.711,383 2.074,384 3.522,385 2.383,386 5.381,387 3.132,388 2.18,389 2.893,391 6.711,392 2.073,393 2.945,394 2.327,395 4.116,396 2.777,397 1.894,398 2.142,400 3.865,401 1.661,402 2.939,403 2.17,404 4.116,405 2.57,406 1.653,407 2.142,409 3.553,410 1.526,411 2.909,412 1.704,413 4,414 2.515,415 1.529,416 1.92,418 3.335,419 1.506,420 2.709,421 1.642,422 3.96,423 2.493,424 1.514,425 1.734,427 3.329,428 1.464,429 2.608,430 1.488,431 3.832,432 2.345,433 1.347,434 1.642,436 3.329,437 1.343,438 2.562,439 1.455,440 3.666,441 2.345,442 1.347,443 1.576,445 3.176,446 1.343,447 2.49,448 1.419,449 3.594,450 2.253,451 1.308,452 1.489,454 2.902,455 1.24,456 2.486,457 1.35,458 3.594,459 2.242,460 1.247,461 1.485,463 2.902,464 1.24,465 2.334,466 1.35,467 3.578,468 2.242,469 1.247,470 1.33,472 2.814,473 1.228,474 18.267,475 0.481,476 0.548,477 0.014,478 45.5,479 1.197,480 21,481 0.553,482 24.5,483 0.645,484 38.441,485 1.012,486 41.133,487 0.541,488 32.193,489 0.847,490 8.342,491 0.22,492 10.54,493 0.277,496 0.274,501 0.907,502 1.267,503 0.88,504 1.114,505 0.828,506 1.01,507 1.39,508 1.189,509 1.04,510 1.05,511 1.193,512 1.022,513 1.052,514 1.004,515 0.919,516 0.861,517 1.014,518 0.873,519 0.991,520 1.117,521 1.057,522 1.044,523 1.05,524 1.044,525 1.229,526 1.042,527 1.171,528 1.064,529 1.221,530 1.093,531 1.032,532 1.063,533 1.158,534 1.186,535 1.069,536 1.186,537 1.139,538 0.944,539 0.986,540 1.044,541 1.028,542 1.018,543 1.542,544 0.817,545 0.932,546 0.853,547 1.217,548 0.847,549 3.5,550 0.107,551 3.333,552 2.25,553 2.16,554 0.708,555 0.478,556 0.229,557 0.172,558 0.134,559 30459,560 60293,561 2.225,562 50,563 12,564 20,567 2,568 4,572 1.778,573 2.192,574 3.814,575 0.071,582 105.421,583 1.387,584 3.266,585 4.248,586 4.722,587 4.88,588 4.88,589 3.005,590 3.616,591 5.232,592 4.122,593 2898.04,594 9.149,595 54919,600 474.842,601 0.831,602 5.222,603 0.081,604 0.004,605 0.057,606 0.036,607 0.037,608 0.013,609 0.011,610 0.007,611 0.006,612 0.005,613 0.257,614 0.17,615 0.63,617 218.283,618 0.003,619 -0.076,620 0.075,621 -0.013,622 0.061,623 0.032,624 -0.132,625 -0.096,626 -0.043,627 -0.017,628 -0.075,629 -0.024,630 0.113,631 0.035,632 0.087,633 0.115,634 0.106,635 0.098,636 -0.038,637 -0.032,638 -0.069,639 -0.069,640 -0.048,641 -0.071,642 -0.162,643 0.011,644 -0.177,645 -0.086,646 -0.211,647 -0.121,648 0.013,649 -0.093,650 -0.172,651 -0.191,652 -0.079,653 -0.196,654 0.089,655 -0.073,656 0.021,657 -0.072,658 0.08,659 -0.039,660 -0.065,661 0.039,662 0.102,663 0.097,664 -0.013,665 0.112,666 0.898,667 2.377,668 0.737,669 41.008,670 0.988,671 1.125,672 3.039,673 9.236,674 0.656,675 3.784,676 4.078,677 4.407,678 4.727,679 5.024,680 5.094,681 5.226,682 5.323,683 5.375,684 5.209,685 10.107,686 0.611,687 510.74,688 3.784,689 5.313,690 6.176,691 7.055,692 7.941,693 8.834,694 9.729,695 10.628,696 11.528,697 12.431,698 5.3,703 2,708 2,714 4,715 8,716 2,720 6,722 22,734 2,741 76,743 22,744 2,745 43,747 81,748 32,749 18,750 4,751 8,756 6,757 12,767 8,770 8,772 18,773 14,793 38,794 6,795 2,796 6,802 4,808 0.333,809 2,822 2,829 6,833 4,858 2,859 2,868 38,876 14,877 2,878 2,893 2.6,897 2,901 17.333,902 13.4,903 8.472,904 5.158,907 4.634,908 1.519,909 1.019,910 8.232,911 13.563,912 4.007,913 4.605,914 5.263,915 5.911,916 6.538,917 6.871,918 7.251,919 7.595,920 7.89,921 7.693,922 0.9,923 63,924 14.137,926 5.989,927 0.026,929 7.386,931 28.322,933 24.068,936 1.886,937 71.667,941 423.76,942 145.5,943 69.593,945 22,948 145.5,949 445.759,950 69.593,952 42.857,953 75.81,954 91.592,955 26.832,957 423.76,959 423.76,960 215.092,961 22,964 423.76,966 22,968 52.659,969 92.841,970 69.593,972 423.76,973 91.592,974 145.5,977 423.76,978 69.69,979 75.81,980 36.022,981 55.571,982 423.76,983 91.592,984 145.5,986 0.562,987 0.336,988 0.202,989 0.118,990 28,991 10,992 0.136,993 11,994 4,995 1.286,996 5.128,997 364.265,998 0.286,999 28,1000 161.421,1005 25.398,1006 12.317,1007 5.772,1008 4.595,1009 91.592,1010 16.908,1011 9.858,1015 7.827,1017 36.022,1018 660.852,1019 54,1031 75.083,1032 85.47,1034 0.222,1035 0.523,1036 0.68,1037 0.756,1038 0.781,1039 0.781,1040 5.234,1041 1.653,1042 6.12,1043 3.865,1044 4.762,1045 5.293,1046 1.526,1047 6.936,1048 4.697,1049 6.407,1050 1.529,1051 7.665,1052 3.553,1053 4.111,1054 5.094,1056 7.861,1057 4.05,1058 7.709,1059 1.514,1060 9.325,1061 3.335,1062 6.33,1063 7.56,1064 1.191,1065 11.05,1066 6.222,1067 9.059,1068 1.347,1069 11.059,1070 3.329,1071 6.635,1072 8.307,1074 12.888,1075 6.534,1076 10.454,1077 1.347,1078 12.843,1079 3.329,1080 8.224,1081 10.199,1082 0.969,1083 15.568,1084 8.088,1085 11.88,1086 1.308,1087 14.66,1088 3.176,1089 8.999,1090 11.369,1092 17.754,1093 8.86,1094 13.329,1095 1.247,1096 16.5,1097 2.902,1098 10.326,1099 13.036,1100 0.788,1101 20.269,1102 10.161,1103 3.226,1104 1.247,1105 18.356,1106 2.902,1107 11.322,1108 14.397,1110 22.595,1111 11.144,1112 3.226,1113 11.348,1114 20.224,1115 2.814,1116 12.545,1117 15.974,1118 0.634,1119 25.054,1120 12.345,1121 2.532,1122 11.348,1123 22.101,1124 4.564,1125 13.639,1126 17.421,1128 27.437,1129 13.421,1130 2.532,1131 8.37,1132 23.985,1133 4.564,1134 14.825,1135 18.961,1136 0.504,1137 29.877,1138 14.586,1139 2.184,1140 8.37,1141 25.874,1142 3.437,1143 15.961,1144 20.447,1146 32.285,1147 15.703,1148 2.18,1149 6.711,1150 27.768,1151 3.437,1152 17.134,1153 21.973,1154 0.395,1155 34.717,1156 16.855,1157 1.894,1158 6.711,1159 29.665,1160 2.893,1161 18.289,1162 23.476,1164 37.137,1165 17.989,1166 27290,1167 38552,1168 30.394,1169 49.876,1170 62.793,1171 64.168,1172 64.15,1173 62.958,1174 62.986,1175 80.032,1176 5.04,1177 175.726,1178 60.779,1179 5.608,1180 5.361,1181 6.753,1182 5.304,1183 5.226,1184 7.564,1185 1.72,1186 18.879,1187 5.162,1189 1.46,1190 1.492,1191 1.492,1192 1.464,1193 1.465,1194 1.861,1195 0.117,1196 4.087,1197 1.413,1198 4.134,1199 4.166,1200 4.092,1201 4.06,1202 4.992,1203 4.064,1204 4.088,1205 4.118,1206 4.052,1207 4.018,1208 4.955,1209 4.023,1210 3.734,1211 3.782,1212 3.62,1213 3.652,1214 4.675,1215 3.638,1216 3.731,1217 3.78,1218 3.617,1219 3.649,1220 4.461,1221 3.635,1222 3.674,1223 3.72,1224 3.536,1225 3.432,1226 4.408,1227 3.448,1228 3.548,1229 3.619,1230 3.401,1231 3.335,1232 4.397,1233 3.339,1234 3.378,1235 3.452,1236 3.235,1237 3.201,1238 4.157,1239 3.199,1240 3.23,1241 3.285,1242 3.1,1243 3.098,1244 4.101,1245 3.09,1246 0.108,1247 0.078,1248 0.159,1249 0.098,1250 0.075,1251 4.64,1252 0.106,1253 3.361,1254 0.02,1255 6.829,1256 0.264,1257 4.206,1258 0.074,1259 3.226,1260 4.564,1261 0.86,1262 11.348,1263 3.162,1264 2.071,1265 2.046,1266 2.158,1267 2.163,1268 1.434,1269 2.163,1270 2.071,1271 2.046,1272 2.157,1273 2.162,1274 1.434,1275 2.162,1276 1.754,1277 1.709,1278 1.949,1279 1.874,1280 1.159,1281 1.902,1282 1.754,1283 1.709,1284 1.949,1285 1.873,1286 1.156,1287 1.902,1288 1.595,1289 1.544,1290 1.842,1291 1.863,1292 1.068,1293 1.857,1294 1.508,1295 1.439,1296 1.767,1297 1.757,1298 1.007,1299 1.764,1300 1.354,1301 1.288,1302 1.631,1303 1.589,1304 0.9,1305 1.606,1306 1.227,1307 1.176,1308 1.461,1309 1.394,1310 0.753,1311 1.411,1312 4.466,1314 5.765,1316 7.287,1318 8.925,1320 10.63,1328 13.398,1329 7.327,1330 11.753,1340 46.471,1341 105.421,1342 248.237,1343 322.842,1344 358.842,1345 370.842,1346 370.842,1347 53.142,1348 8.928,1349 68.3,1350 68.3,1351 36,1352 12.952,1353 4.524,1354 3.585,1355 53.768,1356 245,1357 142,1358 0.104,1359 279.261,1360 479.58,1361 673.156,1362 149190,1364 25.572,1365 0.673,1366 0.585,1367 25.572,1368 22.229,1369 18.882,1370 0.439,1371 0.333,1372 14.176,1373 18.334,1374 13.934,1375 11.434,1376 18.882,1377 14.325,1378 16.038,1379 0.277,1380 0.178,1381 16.038,1382 10.351,1383 14.107,1384 0.174,1385 0.096,1386 14.107,1387 7.807,1388 12.46,1389 0.111,1390 0.053,1391 12.46,1392 5.967,1393 10.907,1394 0.072,1395 0.03,1396 10.907,1397 4.566,1398 0.174,1399 117.018,1400 0.181,1401 35.574,1402 0.259,1403 202,1404 477.427,1405 215.306,1406 461.149,1407 655.28,1408 442,1409 240,1410 490.287,1411 254.196,1412 496.511,1413 738.82,1414 474,1415 7.706}
{0 CHEMBL235287,1 1.211,2 7,3 3.745,4 14.025,5 63.945,6 5.852,8 3.673,9 3.806,10 3.021,11 3.23,12 4.502,13 3.145,14 4.337,15 4.543,16 3.342,17 3.683,18 5.084,19 3.546,20 4.741,21 5.018,22 3.428,23 3.821,24 5.638,25 3.642,26 4.675,27 4.955,28 3.274,29 3.621,30 5.634,31 3.463,32 4.384,33 4.617,34 3.133,35 3.356,36 5.544,37 3.261,38 4.188,39 4.398,40 2.877,41 3.308,42 5.211,43 3.164,44 4.264,45 4.562,46 2.551,47 3.319,48 4.847,49 3.065,50 4.206,51 4.566,52 2.073,53 3.109,54 4.543,55 2.768,56 0.031,57 0.499,58 9.358,59 4.349,60 2.084,61 5.928,62 0.077,63 0.87,64 17.6,65 7.617,66 7.056,67 10.648,68 0.292,69 1.113,70 25.602,71 9.722,72 49.112,73 13.974,74 0.289,75 0.948,76 24.271,77 8.105,78 39.334,79 11.658,80 0.319,81 0.692,82 19.053,83 5.742,84 50.917,85 8.057,86 0.222,87 0.632,88 15.498,89 5.369,90 36,91 7.506,92 0.127,93 0.683,94 15.221,95 6.054,96 17.333,97 8.785,98 0.086,99 0.6,100 13.517,101 5.414,102 9,103 8.085,104 5,105 22,106 0.226,107 0.305,108 0.4,109 0.523,110 0.577,111 0.577,112 2.853,113 1.212,114 -3.71,115 -3.67,116 -3.5,121 36.8,123 10,124 2,158 2,176 12,180 2,187 12,191 1,192 6,200 7,206 8,214 4,219 6,227 8,232 2,239 10,251 8,264 4,277 1,281 256,282 10.88,283 10.88,284 10.88,285 10.88,286 10.88,287 10.683,288 8.97,289 6.695,290 10.833,291 8.369,292 8.369,293 8.369,294 8.369,295 8.369,296 7.907,297 9.135,298 3.173,299 8.256,300 4.037,301 3.614,302 3.104,303 2.448,304 2.158,305 2.158,306 3.503,311 1,312 1,313 234,314 2.646,318 107.525,325 1,326 20.191,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 34,338 112,339 4.255,340 3.989,341 6.525,342 4.07,343 3.035,344 3.527,345 1.277,346 10.021,347 3.134,348 3.562,349 3.147,350 5.7,351 3.507,352 2.499,353 2.599,354 1.277,355 7.565,356 2.518,357 3,358 2.218,359 4.597,360 2.902,361 1.882,362 2,364 4.575,365 1.916,366 2.618,367 2.149,368 3.761,369 2.508,370 1.496,371 1.574,373 3.19,374 1.512,375 2.198,376 1.382,377 3.478,378 2.114,379 1.093,380 1.154,382 2.564,383 1.112,384 2,385 1.381,386 3.247,387 2,388 1,389 1,391 2.136,392 1,393 2,394 1,395 3.247,396 2,397 1,398 1,400 2.136,401 1,402 2,403 1,404 3,405 1.539,406 0.425,407 0.597,409 0.965,410 0.469,411 0.465,412 0.018,413 2.153,414 0.281,415 -0.743,416 -0.774,418 -1.602,419 -0.755,420 0.382,421 -0.289,422 1.555,423 0.28,424 -0.757,425 -0.853,427 -1.615,428 -0.784,430 -0.888,431 1.555,433 -1,434 -1,436 -2.347,437 -1,439 -1,440 1.539,442 -1,443 -1,445 -2.347,446 -1,448 -1,449 1.247,450 -0.248,451 -1.348,452 -1.906,454 -3.437,455 -1.488,456 -0.562,457 -1.308,458 1,459 -0.634,460 -1.662,461 -1.918,463 -4.789,464 -1.714,465 -0.919,466 -1.64,467 1,468 -0.919,469 -1.919,470 -2,472 -4.789,473 -1.92,474 7.667,475 0.479,476 0.298,477 0.019,478 12,479 0.75,480 3,481 0.188,482 9,483 0.563,484 17.166,485 1.073,486 19.333,487 0.509,488 5.631,489 0.352,490 1.246,491 0.078,492 6.542,493 0.409,494 0.087,496 0.261,501 0.492,502 1.288,503 1.02,504 1.285,505 0.448,506 1.223,507 0.498,508 1.341,509 1.066,510 1.34,511 0.475,512 1.278,513 0.632,514 1.064,515 0.886,516 1.058,517 0.645,518 1.009,519 1.525,520 0.931,521 0.987,522 0.913,523 1.592,524 0.89,525 2.676,526 0.817,527 1.265,528 0.798,529 2.78,530 0.858,531 2.186,532 1.111,533 1.523,534 1.121,535 2.187,536 1.23,537 0.649,538 1.073,539 1.097,540 1.094,541 0.578,542 1.142,543 0.1,544 0.929,545 0.794,546 0.946,547 0.031,548 0.95,549 2,551 1.778,552 1.125,553 0.702,554 0.361,555 0.082,556 0.049,557 0.032,559 1909,560 3307,561 2.03,562 57.9,563 20,568 2,572 1.552,573 1.92,574 2.869,575 -0.856,577 1,579 1,582 46.011,583 1.211,584 1.634,585 2.144,586 2.8,587 3.09,588 3.09,589 2.25,590 2.156,591 3.975,592 2.909,593 349.047,594 6.695,595 2999.48,597 1,599 1,600 199.421,601 1.299,602 3.94,603 0.118,605 0.081,606 0.051,607 0.039,608 0.023,609 0.007,610 0.006,611 0.008,613 0.332,614 1,615 1,616 0.625,617 64.124,618 0.001,619 0.044,620 0.03,621 0.044,622 0.029,623 0.04,624 0.023,625 -0.171,626 -0.08,627 -0.167,628 0.022,629 -0.139,630 0.185,631 -0.079,632 0.071,633 -0.069,634 0.16,635 -0.019,636 -0.067,637 -0.016,638 0.037,639 -0.007,640 -0.098,641 0.023,642 -0.306,643 0.114,644 -0.101,645 0.103,646 -0.292,647 0.034,648 -0.354,649 -0.079,650 -0.404,651 -0.112,652 -0.275,653 -0.245,654 -0.073,655 -0.107,656 -0.19,657 -0.119,658 -0.036,659 -0.163,660 0.079,661 -0.058,662 0.017,663 -0.053,664 0.072,665 -0.029,666 1.702,667 5.048,668 0.75,669 8.5,670 0.984,671 1.131,672 2.477,673 6.136,674 0.613,675 2.89,676 3.135,677 3.367,678 3.497,679 3.611,680 3.367,681 3.367,682 3.219,683 3.045,684 2.833,685 4.235,686 0.559,687 222.36,688 2.89,689 4.369,690 5.187,691 6.019,692 6.853,693 7.692,694 8.532,695 9.374,696 10.216,697 11.06,741 38,743 2,745 17,747 39,748 14,752 2,756 2,757 2,767 10,768 2,770 10,772 2,773 12,774 2,777 2,782 2,786 2,790 1,793 22,794 2,796 2,808 1,809 2,829 2,841 2,859 2,868 16,876 10,880 2,893 5.3,896 2,901 8.333,902 6.5,903 3.667,904 2.979,907 0.161,908 1.028,909 0.913,910 4.147,911 5.838,912 2.996,913 3.296,914 3.638,915 3.714,916 3.807,917 3.611,918 3.611,919 3.367,920 3.045,921 2.833,922 0.8,923 22,924 6.078,926 2.626,927 0.026,929 7.688,931 12.202,933 10.689,936 2.188,937 35,938 0.008,941 258.964,942 35.612,945 50.29,948 35.612,949 309.254,952 25.345,954 60.557,957 258.964,959 258.964,960 35.612,961 50.29,964 258.964,965 50.29,968 25.345,969 10.267,972 258.964,973 50.29,974 35.612,977 258.964,978 35.612,981 50.29,982 258.964,983 50.29,984 35.612,986 0.564,987 0.336,988 0.173,989 0.088,990 10,991 4,992 0.077,993 3,995 1,996 2.86,997 102.479,999 12,1000 40,1005 11.825,1006 5.611,1007 2.943,1009 50.29,1018 344.866,1019 19,1024 24.096,1028 -0.071,1031 37.374,1032 42.986,1034 0.231,1035 0.311,1036 0.409,1037 0.534,1038 0.589,1039 0.589,1040 4.22,1041 0.425,1042 5.13,1043 2.136,1044 3.807,1045 3.97,1046 2.019,1047 5.878,1048 3.842,1049 5.298,1050 -0.743,1051 6.655,1052 0.965,1053 3.219,1054 3.611,1056 6.706,1057 3.311,1058 6.54,1059 -0.757,1060 8.296,1061 -1.602,1062 5.323,1063 5.72,1064 2.456,1065 9.826,1066 5.402,1067 7.816,1068 -1,1069 10.008,1070 -1.615,1071 5.638,1072 6.33,1074 11.522,1075 5.791,1076 9.142,1077 -1,1078 11.766,1079 -2.347,1080 7.165,1081 7.867,1082 2.912,1083 14.141,1084 7.304,1085 10.497,1086 -1.348,1087 13.553,1088 -2.347,1089 7.897,1090 8.878,1092 16.164,1093 8.107,1094 11.874,1095 -1.662,1096 15.362,1097 -3.437,1098 9.178,1099 10.22,1100 3.38,1101 18.605,1102 9.388,1103 3.035,1104 -1.919,1105 17.184,1106 -4.789,1107 10.107,1108 11.387,1110 20.771,1111 10.377,1112 2.499,1113 10.021,1114 19.017,1115 -4.789,1116 11.282,1117 12.667,1118 3.857,1119 23.138,1120 11.566,1121 1.882,1122 7.565,1123 20.857,1124 3.527,1125 12.304,1126 13.892,1128 25.372,1129 12.638,1130 1.496,1131 4.575,1132 22.703,1133 2.599,1134 13.435,1135 15.155,1136 4.338,1137 27.706,1138 13.793,1139 1.093,1140 3.19,1141 24.553,1142 2,1143 14.501,1144 16.401,1146 29.974,1147 14.902,1148 1,1149 2.564,1150 26.407,1151 1.574,1152 15.616,1153 17.66,1154 4.823,1155 32.293,1156 16.045,1157 1,1158 2.136,1159 28.264,1160 1.154,1161 16.703,1162 18.914,1164 34.578,1165 17.171,1166 1941,1167 2616,1168 11.326,1169 23.284,1170 25.383,1171 26.735,1172 25.698,1173 24.904,1174 24.86,1175 26.903,1176 5.11,1177 66.301,1178 25.322,1179 5.255,1180 5.989,1181 6.327,1182 5.07,1183 5.035,1184 5.527,1185 2.555,1186 17.141,1187 5.134,1188 5.991,1189 1.493,1190 1.573,1191 1.512,1192 1.465,1193 1.462,1194 1.583,1195 0.301,1196 3.9,1197 1.49,1198 3.956,1199 3.995,1200 3.856,1201 3.843,1202 7.495,1203 3.838,1204 3.823,1205 3.881,1206 3.675,1207 3.716,1208 7.351,1209 3.698,1210 3.467,1211 3.49,1212 3.364,1213 3.288,1214 4.253,1215 3.301,1216 3.111,1217 3.206,1218 2.929,1219 2.946,1220 4.205,1221 2.929,1222 3.111,1223 3.206,1224 2.866,1225 2.941,1226 3.48,1227 2.91,1228 3.109,1229 3.182,1230 2.866,1231 2.941,1232 3.474,1233 2.91,1234 2.804,1235 2.868,1236 2.595,1237 2.555,1238 3.474,1239 2.559,1240 2.379,1241 2.388,1242 2.276,1243 1.954,1244 3.388,1245 2.015,1246 0.25,1247 0.235,1248 0.384,1249 0.239,1250 0.179,1251 4.255,1252 0.207,1253 3.989,1254 0.075,1255 6.525,1256 0.589,1257 4.07,1258 0.184,1259 3.035,1260 3.527,1261 1.277,1262 10.021,1263 3.134,1264 1.923,1265 1.883,1266 2.12,1267 2.063,1268 1.503,1269 2.082,1270 1.847,1271 1.793,1272 2.078,1273 1.99,1274 1.468,1275 2.023,1276 1.406,1277 1.377,1278 1.601,1279 1.615,1280 0.887,1281 1.604,1282 1.153,1283 1.064,1284 1.513,1285 1.376,1286 0.825,1287 1.429,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.825,1293 1.429,1294 1.126,1295 1.054,1296 1.447,1297 1.336,1298 0.788,1299 1.376,1300 0.756,1301 0.696,1302 1.041,1303 1.059,1304 0.092,1305 1.062,1306 0.21,1307 0.148,1308 0.785,1309 0.629,1311 0.65,1312 3.555,1314 4.812,1316 6.29,1318 7.852,1320 9.454,1328 10.831,1332 0.145,1340 21.224,1341 46.011,1342 62.094,1343 81.473,1344 106.402,1345 117.421,1346 117.421,1347 37.833,1348 5.677,1349 34.14,1350 34.14,1351 12,1352 11.623,1353 1.585,1354 1.585,1355 25.898,1356 40,1357 34,1358 0.328,1359 132.414,1360 238.34,1361 314.85,1362 1629,1364 11.38,1365 0.711,1366 0.628,1367 11.38,1368 10.042,1369 7.788,1370 0.458,1371 0.404,1372 6.841,1373 7.661,1374 6.725,1375 5.575,1376 7.788,1377 6.869,1378 6.514,1379 0.296,1380 0.245,1381 6.514,1382 5.398,1383 5.616,1384 0.201,1385 0.15,1386 5.616,1387 4.195,1388 4.179,1389 0.131,1390 0.098,1391 4.179,1392 3.132,1393 3.131,1394 0.087,1395 0.065,1396 3.131,1397 2.335,1398 0.493,1399 47.881,1400 0.297,1401 16.153,1402 0.954,1403 78,1404 185.471,1405 82.207,1406 175.219,1407 226.54,1408 162,1409 89,1410 151.273,1411 93.761,1412 151.573,1413 221.25,1414 144,1415 4}
{0 CHEMBL235288,1 1.379,2 4.182,3 1.175,4 1.381,5 40.471,6 8.597,7 0.5,8 2.96,9 3.028,10 2.651,11 2.653,12 4.21,13 2.64,14 3.45,15 3.549,16 3.013,17 3.022,18 4.705,19 3,20 3.654,21 3.787,22 2.997,23 2.963,24 5.22,25 2.938,26 3.427,27 3.61,28 2.474,29 2.584,30 4.787,31 2.517,32 2.999,33 3.219,34 1.789,35 1.802,36 4.46,37 1.762,38 1.876,39 2.116,40 0.3,41 0.593,42 3.178,43 0.533,56 0.023,57 0.182,58 2.235,59 1.519,60 7.861,61 1.647,62 0.049,63 0.309,64 4.304,65 2.592,66 16.664,67 2.887,68 0.213,69 0.386,70 6.831,71 3.199,72 55.729,73 3.465,74 0.137,75 0.317,76 6.301,77 2.668,78 29.7,79 2.971,80 0.148,81 0.206,82 5.155,83 1.714,84 32.747,85 1.784,86 0.082,87 0.061,88 1.966,89 0.492,90 19.023,91 0.404,104 5,105 17,106 0.305,107 0.644,108 0.748,109 0.852,110 0.878,111 0.878,112 2.53,113 0.861,114 -2.68,115 -2.7,116 -2.62,121 52.9,123 1,144 4,145 2,158 1,159 1,176 7,180 2,187 8,191 1,192 5,200 5,206 4,214 1,219 3,281 67,282 7.345,283 7.345,284 7.345,285 7.345,286 7.345,287 6.41,288 6.493,289 4.281,290 7.291,291 5.895,292 5.895,293 5.895,294 5.895,295 5.895,296 4.392,297 7.614,298 2.01,299 5.778,300 2.708,301 1.176,302 0.706,303 0.235,304 0.118,305 0.118,306 3.148,312 1,313 96,314 1.414,317 17.166,318 21.524,321 32.78,325 0.595,326 15.857,329 1,330 0.67,331 0.83,332 0.4,334 1,335 1,336 0.7,337 24,338 46,339 4.476,340 3.924,341 6.649,342 4.169,343 3.145,344 4.054,345 1.447,346 10.572,347 3.218,348 3.595,349 2.923,350 5.386,351 3.172,352 2.133,353 2.945,355 6.339,356 2.206,357 3.046,358 2.673,359 4.732,360 2.708,361 1.683,362 2.17,364 4.873,365 1.72,366 2.839,367 1.594,368 3.611,369 2.364,370 1.354,371 1.97,373 2.935,374 1.366,375 2.366,376 1.314,377 3.364,378 1.812,379 0.759,380 1.131,382 1.797,383 0.793,384 1.277,385 0.644,386 2.383,387 0.849,388 -0.235,389 -0.346,391 -0.536,392 -0.253,393 0.701,394 0.026,395 2,396 0.24,397 -0.793,398 -1.093,400 -1.916,401 -0.809,402 0.495,403 -0.785,404 2,405 0.032,406 -1,407 -1.444,409 -2.433,410 -1.029,411 0.085,412 -0.982,413 1.268,414 -0.297,415 -1.377,416 -2,418 -3.696,419 -1.502,420 -0.5,421 -1.394,422 1.262,423 -0.766,424 -1.786,425 -2.167,427 -5.032,428 -1.824,429 -0.579,430 -1.776,431 1.027,432 -0.883,433 -1.884,434 -2.22,436 -6.037,437 -1.887,438 -0.802,439 -2,440 0.319,441 -1,442 -2,443 -3,444 -1.447,445 -6.866,446 -2,474 5.167,475 0.47,476 0.298,477 0.027,478 15.5,479 1.409,480 9,481 0.818,482 6.5,483 0.591,484 5,485 0.455,486 11.033,487 0.649,488 8.447,489 0.768,490 3.188,491 0.29,492 2.1,493 0.191,494 0.129,496 0.387,501 0.455,502 0.839,503 0.602,504 0.837,505 0.486,506 0.778,507 0.546,508 1.007,509 0.722,510 1.005,511 0.591,512 0.933,513 0.86,514 1.102,515 0.978,516 1.104,517 0.882,518 1.08,519 1.11,520 1.172,521 1.198,522 1.18,523 1.065,524 1.205,525 1.816,526 0.946,527 1.328,528 0.93,529 1.753,530 0.982,531 3.114,533 1.927,534 0.017,535 3.063,536 0.501,549 2,551 1.556,552 1.264,553 0.297,554 0.142,559 589,560 2046,561 2.043,562 35.3,564 4,568 2,572 1.433,573 1.886,574 2.214,575 -0.79,582 23.448,583 1.379,584 2.911,585 3.382,586 3.852,587 3.97,588 3.97,589 1.495,590 3.096,591 3.439,592 2.147,593 118.11,594 5.629,595 776.824,600 69.487,601 1.495,602 3.376,603 0.167,605 0.092,606 0.084,607 0.037,608 0.047,613 0.427,614 1,615 1,616 0.762,617 35.288,618 0.001,619 0.049,620 0.02,621 0.049,622 -0.019,623 0.042,624 0.01,625 -0.111,626 -0.001,627 -0.106,628 -0.029,629 -0.068,630 0.13,631 -0.173,632 -0.057,633 -0.181,634 0.108,635 -0.172,636 -0.126,637 -0.227,638 -0.16,639 -0.225,640 -0.086,641 -0.208,642 -0.304,643 0.061,644 -0.028,645 0.078,646 -0.25,647 0.094,648 -0.877,649 1.127,650 -0.324,651 1.088,652 -0.84,653 0.664,666 1.999,667 4.047,668 0.818,669 3.752,670 1.018,671 1.098,672 1.453,673 2.111,674 0.717,675 2.565,676 2.89,677 3.178,678 3.401,679 3.466,680 3.219,681 3.091,682 2.944,683 1.792,684 0.693,685 2.757,686 0.706,687 146.15,688 2.565,689 4.078,690 4.934,691 5.814,692 6.691,693 7.575,694 8.456,695 9.341,696 10.223,697 11.108,715 4,720 2,722 6,727 1,741 17,743 8,744 1,745 12,747 18,748 9,749 6,750 2,751 4,752 2,756 2,757 3,767 1,770 1,772 8,773 1,777 2,782 2,786 2,793 6,794 2,796 2,808 0.5,809 2,828 1,829 1,832 1,841 1,859 1,868 11,876 1,893 11.8,896 2,901 5.833,902 3.167,903 2.417,904 1.021,907 1.544,908 1.293,909 0.991,910 1.159,911 6.806,912 2.89,913 3.45,914 4.021,915 4.498,916 4.933,917 4.899,918 5.057,919 5.124,920 4.343,921 3.446,922 0.667,923 15,924 4.071,925 -0.011,926 1.804,927 0.026,929 8.242,931 7.499,932 -0.004,933 6.246,934 0.004,936 2.742,937 30.167,938 0.01,941 70.627,942 57.078,945 50.29,948 57.078,949 120.916,952 2.535,953 37.905,954 60.557,955 6.371,957 70.627,959 70.627,960 57.078,961 50.29,964 70.627,965 50.29,968 2.535,969 54.543,972 70.627,973 50.29,974 57.078,977 70.627,978 19.173,979 37.905,981 50.29,982 70.627,983 50.29,984 57.078,986 0.588,987 0.361,988 0.192,989 0.095,990 10,991 4,994 1,995 1.222,996 2.276,997 63.857,998 0.222,999 9,1000 38.054,1005 6.292,1006 2.027,1007 0.795,1009 50.29,1010 7.126,1015 1.444,1018 177.994,1019 17,1024 21.928,1028 -0.619,1031 17.305,1032 18.664,1034 0.337,1035 0.712,1036 0.827,1037 0.942,1038 0.971,1039 0.971,1040 4.103,1041 -1,1042 4.934,1043 -1.916,1044 3.555,1045 4.127,1046 1.647,1047 5.771,1048 3.6,1049 5.314,1050 -1.377,1051 6.518,1052 -2.433,1053 3.219,1054 3.951,1056 6.735,1057 3.311,1058 6.627,1059 -1.786,1060 8.207,1061 -3.696,1062 5.165,1063 6.281,1064 2.28,1065 9.862,1066 5.252,1067 7.98,1068 -1.884,1069 9.957,1070 -5.032,1071 5.673,1072 6.92,1074 11.678,1075 5.809,1076 9.368,1077 -2,1078 11.744,1079 -6.037,1080 7.124,1081 8.745,1082 2.964,1083 14.315,1084 7.258,1085 10.781,1087 13.558,1088 -6.866,1089 8.01,1090 9.766,1092 16.464,1093 8.185,1094 12.214,1096 15.39,1098 9.269,1099 11.376,1100 3.676,1101 18.929,1102 9.451,1103 3.145,1105 17.235,1107 10.313,1108 12.582,1110 21.207,1111 10.528,1112 2.133,1113 10.572,1114 19.092,1116 11.5,1117 14.09,1118 4.402,1119 23.606,1120 11.73,1121 1.683,1122 6.339,1123 20.956,1124 4.054,1125 12.606,1126 15.388,1128 25.933,1129 12.864,1130 1.354,1131 4.873,1132 22.827,1133 2.945,1134 13.767,1135 16.845,1136 5.135,1137 28.308,1138 14.044,1139 0.759,1140 2.935,1141 24.703,1142 2.17,1143 14.897,1144 18.19,1146 30.654,1147 15.199,1148 -0.235,1149 1.797,1150 26.582,1151 1.97,1152 16.049,1153 19.621,1154 5.871,1155 33.019,1156 16.371,1157 -0.793,1158 -0.536,1159 28.465,1160 1.131,1161 17.188,1162 20.991,1164 35.372,1165 17.535,1166 642,1167 1237,1168 7.86,1169 12.193,1170 18.478,1171 19.983,1172 19.151,1173 18.117,1174 18.148,1175 24.541,1176 2.894,1177 53.033,1178 18.608,1179 5.278,1180 5.924,1181 6.33,1182 5.169,1183 5.145,1184 7.054,1185 2.894,1186 17.438,1187 5.218,1188 4.565,1189 1.54,1190 1.665,1191 1.596,1192 1.51,1193 1.512,1194 2.045,1195 0.241,1196 4.419,1197 1.551,1198 4.016,1199 4.029,1200 3.972,1201 3.948,1202 7.497,1203 3.95,1204 3.459,1205 3.476,1206 3.391,1207 3.309,1208 7.351,1209 3.324,1210 2.988,1211 3.028,1212 2.873,1213 2.845,1214 4.702,1215 2.842,1216 2.605,1217 2.629,1218 2.546,1219 2.419,1220 3.764,1221 2.443,1222 2.572,1223 2.613,1224 2.412,1225 2.305,1226 3.613,1227 2.32,1228 2.035,1229 2.07,1230 1.805,1231 1.55,1232 2.884,1233 1.626,1234 1.473,1235 1.688,1236 0.891,1237 1.045,1238 2.201,1239 0.967,1240 1.374,1241 1.535,1242 0.838,1243 0.986,1244 1.762,1245 0.936,1246 0.373,1247 0.327,1248 0.554,1249 0.347,1250 0.262,1251 4.476,1252 0.338,1253 3.924,1254 0.121,1255 6.649,1256 0.881,1257 4.169,1258 0.268,1259 3.145,1260 4.054,1261 1.447,1262 10.572,1263 3.218,1264 1.891,1265 1.869,1266 2.001,1267 1.961,1268 1.144,1269 1.975,1270 1.48,1271 1.475,1272 1.617,1273 1.688,1274 0.764,1275 1.654,1276 1.034,1277 1,1278 1.207,1279 1.215,1280 0.262,1281 1.216,1282 0.785,1283 0.728,1284 1.065,1285 0.978,1286 0.096,1287 1.013,1288 0.14,1289 0.054,1290 0.577,1291 0.48,1293 0.521,1296 0.3,1297 0.414,1299 0.28,1302 0.1,1303 0.039,1305 0.139,1312 3.219,1314 4.533,1315 2.398,1316 6.057,1317 4.844,1318 7.669,1319 7.002,1320 9.325,1328 0.287,1340 12.01,1341 23.448,1342 49.487,1343 57.487,1344 65.487,1345 67.487,1346 67.487,1347 16.66,1348 5.263,1349 34.14,1350 34.14,1351 11,1352 11.64,1353 3.17,1354 2.585,1355 15.049,1356 19,1357 13,1358 0.469,1359 75.67,1360 133.02,1361 176.395,1362 876,1364 7.845,1365 0.713,1366 0.53,1367 7.845,1368 5.833,1369 5.288,1370 0.441,1371 0.287,1372 3.415,1373 5.157,1374 3.339,1375 2.746,1376 5.288,1377 3.443,1378 4.78,1379 0.281,1380 0.152,1381 4.78,1382 2.586,1383 4.215,1384 0.183,1385 0.081,1386 4.215,1387 1.866,1388 3.335,1389 0.115,1390 0.045,1391 3.335,1392 1.299,1393 2.483,1394 0.08,1395 0.025,1396 2.483,1397 0.767,1398 0.644,1399 32.881,1400 0.357,1401 10.614,1402 1.569,1403 58,1404 199.471,1405 62.207,1406 190.893,1407 249.28,1408 176,1409 69,1410 170.273,1411 73.429,1412 173.022,1413 253.33,1414 163,1415 4}
{0 CHEMBL235289,1 1.73,2 5.8,3 1.987,4 3.949,5 67.114,6 11.341,7 0.5,8 3.398,9 3.436,10 3.279,11 2.987,12 4.931,13 3.052,14 3.857,15 3.88,16 3.702,17 3.421,18 5.645,19 3.493,20 4.089,21 4.147,22 3.86,23 3.523,24 5.793,25 3.617,26 4.192,27 4.256,28 3.855,29 3.447,30 5.886,31 3.575,32 4.121,33 4.184,34 3.741,35 3.079,36 5.962,37 3.3,38 3.815,39 3.855,40 3.451,41 2.463,42 6.128,43 2.804,44 3.085,45 3.066,46 2.751,47 1.29,48 6.047,49 1.788,56 0.278,57 0.348,58 0.648,59 1.724,60 56.992,61 1.14,62 0.552,63 0.519,64 0.969,65 3.081,66 126.648,67 1.969,68 0.703,69 0.665,70 2.925,71 3.866,72 151.574,73 2.774,74 0.881,75 0.717,76 3.51,77 4.179,78 190.543,79 2.455,80 0.919,81 0.629,82 4.346,83 3.551,84 201.621,85 1.854,86 0.874,87 0.393,88 5.262,89 2.576,90 205.233,91 1.455,92 0.648,93 0.134,94 4.018,95 1.229,96 169.337,97 0.734,104 41,105 34,106 0.331,107 0.59,108 0.638,109 0.67,110 0.67,111 0.67,112 3.062,113 0.737,114 -3.69,115 -3.65,116 -3.48,121 50,144 4,145 4,146 2,159 2,168 4,176 7,179 2,180 6,187 9,191 1,192 18,200 6,205 1,206 20,214 4,218 4,219 16,227 2,231 8,232 4,243 8,281 422,282 12.966,283 12.966,284 12.966,285 12.966,286 12.966,287 10.973,288 11.654,289 7.151,290 13.025,291 10.771,292 10.771,293 10.771,294 10.771,295 10.771,296 7.552,297 13.376,298 3.286,299 10.81,300 2.855,301 1.5,302 1.25,303 1.083,304 1.083,305 1.083,306 3.728,311 1,312 1,313 242,314 3.162,317 30.272,318 71.053,321 110.839,322 61.69,323 71.205,325 0.84,326 51.072,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 47,338 116,339 4.878,340 3.942,341 7.25,342 4.463,343 3.458,344 4.857,345 2.612,346 12.872,347 3.478,348 4.346,349 3.822,350 6.606,351 3.937,352 2.936,353 3.95,354 2.612,355 10.352,356 2.932,357 4.071,358 3.746,359 5.874,360 3.51,361 2.542,362 3.686,364 7.826,365 2.459,366 3.605,367 2.917,368 5.617,369 3.126,370 2.115,371 3,373 6.954,374 2.133,375 3.543,376 2.911,377 5.572,378 3.04,379 2.02,380 2.909,382 6.555,383 2.049,384 3.063,385 2.093,386 4.612,387 2.404,388 1.392,389 2.235,391 3.907,392 1.405,393 2.815,394 1.924,395 3.89,396 2.237,397 1.237,398 1.888,400 2.999,401 1.237,402 2.767,403 1.427,404 3.78,405 2.185,406 1.171,407 1.85,409 2.792,410 1.185,411 2.164,412 1.314,413 3.2,414 1.497,415 0.419,416 0.689,418 1.009,419 0.446,420 1.33,421 1,422 2.806,423 0.794,424 -0.254,425 -0.406,427 -0.607,428 -0.266,429 1,430 1,431 2.625,432 0.449,433 -0.553,434 -0.805,436 -1.574,437 -0.551,438 1,439 0.18,440 2.528,441 0.421,442 -0.585,443 -0.82,445 -1.83,446 -0.586,447 0.942,448 0.052,449 2,451 -1,452 -1.832,454 -2,455 -1,456 0.885,457 -0.369,458 2,460 -1,461 -1.866,463 -2,464 -1,465 0.221,466 -0.687,467 1.716,468 -0.214,469 -1.312,470 -2,472 -3.442,473 -1.352,474 8.8,475 0.44,476 0.742,477 0.037,478 32,479 1.6,480 19,481 0.95,482 13,483 0.65,484 10.095,485 0.505,486 20.6,487 0.858,488 24.834,489 1.242,490 6.407,491 0.32,492 3.024,493 0.151,494 0.227,496 0.545,501 0.325,502 0.654,503 0.414,504 0.607,505 0.541,506 0.649,507 0.508,508 0.919,509 0.528,510 0.894,511 0.486,512 0.855,513 0.727,514 1.104,515 0.675,516 1.057,517 0.633,518 0.96,519 1.179,520 1.198,521 1.206,522 1.201,523 1.082,524 1.21,525 1.518,526 1.321,527 1.464,528 1.289,529 1.546,530 1.287,531 1.524,532 0.812,533 1.394,534 0.988,535 1.662,536 0.983,537 0.917,539 1.28,540 0.01,541 0.895,542 0.4,549 4,551 3.111,552 2.736,553 1.599,554 1.376,555 0.709,559 2841,560 14784,561 1.99,562 16.7,564 4,572 1.631,573 1.765,574 2.584,575 -0.59,579 1,582 41.51,583 1.73,584 3.085,585 3.335,586 3.502,587 3.502,588 3.502,589 1.895,590 3.222,591 4.295,592 2.688,593 510.666,594 7.407,595 5044.1,597 1,599 1,600 110.039,601 1.485,602 4.197,603 0.182,605 0.092,606 0.07,607 0.043,608 0.046,609 0.035,613 0.468,614 0.67,615 1,616 1.069,617 84.051,618 0.294,619 0.417,620 0.061,621 0.28,622 0.032,623 0.088,624 0.183,625 0.025,626 0.029,627 0.048,628 0.184,629 -0.038,630 0.004,631 -0.139,632 0.136,633 -0.109,634 0.07,635 0.01,636 -0.316,637 -0.237,638 -0.254,639 -0.252,640 -0.231,641 -0.214,642 -0.451,643 -0.34,644 -0.326,645 -0.353,646 -0.472,647 -0.288,648 -0.108,649 0.104,650 0.019,651 0.014,652 -0.197,653 0.082,654 1.192,655 0.744,656 0.578,657 1.145,658 1.372,659 0.752,666 2.775,667 4.75,668 0.6,669 10.92,670 1.085,671 1.111,672 2.456,673 6.03,674 0.729,675 3.135,676 3.555,677 3.932,678 4.29,679 4.605,680 4.787,681 4.927,682 4.977,683 4.898,684 4.762,685 3.949,686 0.786,687 272.18,688 3.135,689 4.727,690 5.638,691 6.581,692 7.52,693 8.47,694 9.417,695 10.369,696 11.318,697 12.271,698 8.3,709 2,714 2,715 4,720 4,722 11,727 2,735 2,741 24,743 17,744 2,745 22,747 26,748 12,749 10,750 6,751 4,752 2,756 3,757 7,772 12,777 6,779 2,782 6,786 2,790 1,793 4,794 6,796 8,802 2,808 0.333,809 6,828 1,829 2,832 2,833 1,834 1,859 1,868 20,893 25,896 2,899 4,901 11.333,902 4.733,903 4.278,904 1.372,907 2.916,908 1.416,909 0.988,910 2.352,911 9.933,912 3.541,913 4.256,914 4.94,915 5.647,916 6.325,917 6.827,918 7.306,919 7.639,920 7.949,921 8.139,922 0.75,923 39,924 7.483,926 3.624,927 0.026,929 8.867,931 12.707,933 10.741,936 3.367,937 67.333,941 47.084,942 65.203,943 11.34,945 151.784,948 65.203,949 198.868,950 11.34,951 11.34,953 37.905,954 60.557,955 17.031,957 47.084,958 101.494,959 47.084,960 76.543,961 151.784,964 47.084,965 50.29,966 101.494,969 65.203,970 11.34,972 47.084,973 163.124,974 65.203,977 47.084,978 27.298,979 49.245,981 151.784,982 47.084,983 163.124,984 65.203,986 0.609,987 0.378,988 0.212,989 0.127,990 19,991 10,992 0.077,993 2,994 3,995 1.417,996 2.93,997 167.613,998 0.5,999 11,1000 64.439,1005 12.24,1006 3.842,1007 1.471,1008 -0.294,1009 151.784,1010 4.317,1015 -1.066,1018 275.411,1019 33.5,1021 -1.549,1024 67.536,1028 -1.61,1031 26.051,1032 26.668,1034 0.377,1035 0.673,1036 0.727,1037 0.764,1038 0.764,1039 0.764,1040 4.81,1041 1.171,1042 5.694,1043 2.999,1044 4.234,1045 4.942,1046 3.153,1047 6.645,1048 4.234,1049 6.098,1050 0.419,1051 7.351,1052 2.792,1053 4.111,1054 5.121,1055 3.006,1056 7.823,1057 4.111,1058 7.475,1059 -0.254,1060 9.107,1061 1.009,1062 5.964,1063 7.334,1064 4.84,1065 11.007,1066 5.961,1067 8.89,1068 -0.553,1069 10.918,1070 -0.607,1071 6.621,1072 8.295,1073 5.194,1074 12.998,1075 6.627,1076 10.336,1077 -0.585,1078 12.763,1079 -1.574,1080 8.033,1081 10.059,1082 6.64,1083 15.738,1084 8.038,1085 11.804,1086 -1,1087 14.632,1088 -1.83,1089 9.021,1090 11.36,1091 7.248,1092 18.063,1093 9.037,1094 13.292,1095 -1,1096 16.518,1097 -2,1098 10.29,1099 12.98,1100 8.487,1101 20.663,1102 10.309,1103 3.458,1104 -1.312,1105 18.418,1106 -2,1107 11.416,1108 14.43,1109 9.241,1110 23.121,1111 11.446,1112 2.936,1113 12.872,1114 20.33,1115 -3.442,1116 12.644,1117 16.007,1118 10.363,1119 25.679,1120 12.68,1121 2.542,1122 10.352,1123 22.25,1124 4.857,1125 13.827,1126 17.522,1127 11.202,1128 28.191,1129 13.873,1130 2.115,1131 7.826,1132 24.179,1133 3.95,1134 15.048,1135 19.089,1136 12.256,1137 30.739,1138 15.102,1139 2.02,1140 6.954,1141 26.115,1142 3.686,1143 16.257,1144 20.635,1145 13.145,1146 33.273,1147 16.319,1148 1.392,1149 6.555,1150 28.056,1151 3,1152 17.48,1153 22.203,1154 14.161,1155 35.82,1156 17.55,1157 1.237,1158 3.907,1159 30.003,1160 2.909,1161 18.701,1162 23.765,1163 15.079,1164 38.363,1165 18.778,1166 2938,1167 6764,1168 13.759,1169 17.5,1170 35.096,1171 38.59,1172 37.164,1173 34.634,1174 34.579,1175 50.128,1176 10.45,1177 110.533,1178 34.649,1179 5.688,1180 5.942,1181 6.481,1182 5.463,1183 5.458,1184 7.857,1185 4.612,1186 20.696,1187 5.478,1188 12.665,1189 1.595,1190 1.754,1191 1.689,1192 1.574,1193 1.572,1194 2.279,1195 0.475,1196 5.024,1197 1.575,1198 4.202,1199 4.212,1200 4.189,1201 4.128,1202 7.819,1203 4.138,1204 3.707,1205 3.729,1206 3.696,1207 3.436,1208 7.811,1209 3.474,1210 3.695,1211 3.697,1212 3.694,1213 3.415,1214 7.497,1215 3.464,1216 3.29,1217 3.317,1218 3.223,1219 2.903,1220 7.351,1221 3.018,1222 3.183,1223 3.174,1224 3.164,1225 2.768,1226 6.999,1227 2.874,1228 2.637,1229 2.681,1230 2.528,1231 2.534,1232 6.999,1233 2.535,1234 2.536,1235 2.509,1236 2.508,1237 2.213,1238 4.773,1239 2.281,1240 2.44,1241 2.447,1242 2.4,1243 2.19,1244 4.238,1245 2.257,1246 0.222,1247 0.179,1248 0.33,1249 0.203,1250 0.157,1251 4.878,1252 0.221,1253 3.942,1254 0.119,1255 7.25,1256 0.585,1257 4.463,1258 0.158,1259 3.458,1260 4.857,1261 2.612,1262 12.872,1263 3.478,1264 2.074,1265 2.062,1266 2.114,1267 2.193,1268 1.313,1269 2.157,1270 1.627,1271 1.615,1272 1.718,1273 1.888,1274 0.77,1275 1.794,1276 1.296,1277 1.292,1278 1.313,1279 1.676,1280 0.319,1281 1.583,1282 1.267,1283 1.252,1284 1.295,1285 1.67,1286 0.198,1287 1.559,1288 0.917,1289 0.898,1290 1.014,1291 1.25,1292 0.057,1293 1.208,1294 0.71,1295 0.666,1296 0.932,1297 0.91,1299 0.905,1300 0.51,1301 0.507,1302 0.61,1303 0.753,1305 0.738,1306 0.016,1308 0.48,1309 0.366,1311 0.401,1312 3.807,1314 5.198,1315 2.398,1316 6.799,1317 4.949,1318 8.5,1319 7.222,1320 10.261,1340 18.858,1341 41.51,1342 74.039,1343 80.039,1344 84.039,1345 84.039,1346 84.039,1347 60.995,1348 7.017,1349 125.78,1350 125.78,1351 17,1352 12.759,1353 4.17,1354 3.644,1355 29.48,1356 47,1357 40,1358 0.333,1359 114.918,1360 208.26,1361 272.159,1362 8176,1364 14.602,1365 0.73,1366 0.483,1367 14.602,1368 9.653,1369 9.43,1370 0.429,1371 0.246,1372 5.292,1373 8.81,1374 5.253,1375 4.281,1376 9.43,1377 5.407,1378 9.171,1379 0.27,1380 0.123,1381 9.171,1382 4.187,1383 7.981,1384 0.16,1385 0.064,1386 7.981,1387 3.206,1388 6.879,1389 0.096,1390 0.033,1391 6.879,1392 2.387,1393 5.895,1394 0.06,1395 0.017,1396 5.895,1397 1.683,1398 0.475,1399 61.535,1400 0.27,1401 18.704,1402 1.083,1403 112,1404 507.703,1405 128.561,1406 475.106,1407 611.3,1408 430,1409 140,1410 440.003,1411 156.733,1412 430.361,1413 631.36,1414 402,1415 6.044}
{0 CHEMBL235290,1 1.592,2 5.25,3 1.144,4 1.308,5 56.847,6 8.609,7 0.333,8 3.365,9 3.446,10 3.056,11 2.979,12 4.567,13 2.985,14 3.927,15 4.053,16 3.48,17 3.403,18 5.135,19 3.4,20 4.231,21 4.387,22 3.669,23 3.546,24 5.737,25 3.541,26 4.191,27 4.351,28 3.492,29 3.434,30 5.633,31 3.416,32 4.018,33 4.181,34 3.09,35 3.129,36 5.401,37 3.086,38 3.682,39 3.902,40 2.168,41 2.363,42 5.094,43 2.286,44 2.489,45 2.747,46 0.531,47 0.962,48 3.85,49 0.878,56 0.058,57 0.338,58 3.48,59 2.253,60 12.832,61 2.42,62 0.178,63 0.597,64 7.658,65 3.915,66 25.398,67 4.465,68 0.436,69 0.767,70 12.641,71 5.452,72 87.584,73 6.553,74 0.42,75 0.717,76 12.529,77 5.197,78 76.707,79 5.883,80 0.314,81 0.562,82 10.93,83 4.586,84 64.054,85 4.896,86 0.411,87 0.359,88 10.722,89 3.16,90 85.841,91 3.2,92 0.178,93 0.093,94 3.937,95 0.858,96 37.18,97 0.792,104 10,105 27,106 0.316,107 0.669,108 0.819,109 0.873,110 0.873,111 0.873,112 2.859,113 0.871,114 -2.38,115 -2.41,116 -2.37,121 48,123 2,127 1,144 3,145 2,146 1,158 1,159 1,160 1,176 6,179 1,180 4,187 6,191 3,192 5,200 5,205 2,206 7,214 3,219 8,227 1,232 4,281 184,282 10.759,283 10.759,284 10.759,285 10.759,286 10.759,287 9.781,288 12.467,289 6.064,290 10.789,291 8.82,292 8.82,293 8.82,294 8.82,295 8.82,296 7.072,297 15.055,298 2.805,299 8.825,300 3.052,301 1.271,302 0.51,303 0.24,304 0.24,305 0.24,306 3.528,311 1,312 1,313 182,314 1.871,318 74.595,322 128.237,324 53.642,325 0.656,326 27.581,329 1,330 0.83,331 1,332 0.6,333 0.5,334 1,335 1,336 0.85,337 35.5,338 84,339 4.644,340 4.053,341 7.072,342 4.347,343 3.354,344 4.233,345 1.2,346 12.138,347 3.338,348 4.009,349 3.365,350 6.167,351 3.662,352 2.634,353 3.429,354 0.293,355 8.715,356 2.695,357 3.697,358 3.182,359 5.945,360 3.41,361 2.414,362 2.924,364 8.021,365 2.393,366 3.144,367 2.607,368 5.097,369 2.826,370 1.827,371 2.298,373 5.647,374 1.815,375 2.857,376 2.1,377 4.022,378 2.433,379 1.414,380 1.966,382 3.196,383 1.435,384 2.461,385 1.907,386 3.951,387 2.261,388 1.27,389 1.431,391 3,392 1.257,393 2.188,394 1.316,395 3.372,396 1.65,397 0.618,398 0.808,400 1.563,401 0.632,402 1.999,403 1.107,404 3.194,405 1.499,406 0.361,407 0.591,409 0.83,410 0.405,411 0.933,412 0.123,413 2.467,414 0.597,415 -0.414,416 -0.505,418 -1.009,419 -0.417,420 0.767,421 -0.088,422 2.272,423 0.422,424 -0.571,425 -0.694,427 -1.548,428 -0.563,429 0.49,430 -0.386,431 2,432 0.175,433 -0.844,434 -1.132,436 -2.058,437 -0.859,438 0.252,439 -0.742,440 2,441 -0.173,442 -1.293,443 -1.829,445 -3.234,446 -1.44,447 -0.071,448 -0.854,449 1.505,450 -0.364,451 -1.414,452 -2,454 -4,455 -1.456,456 -0.418,457 -1.406,458 1.478,459 -0.622,460 -1.618,461 -2,463 -4.681,464 -1.632,465 -0.5,466 -1.515,467 1.283,468 -0.752,469 -1.739,470 -2.025,472 -5.527,473 -1.713,474 7.4,475 0.463,476 0.474,477 0.03,478 21.5,479 1.344,480 11,481 0.688,482 10.5,483 0.656,484 10.022,485 0.626,486 16.6,487 0.664,488 14.147,489 0.884,490 4.144,491 0.259,492 3.555,493 0.222,494 0.135,496 0.459,501 0.526,502 1.172,503 0.6,504 0.97,505 0.473,506 0.842,507 0.563,508 1.081,509 0.697,510 0.954,511 0.524,512 0.877,513 0.535,514 1.016,515 0.679,516 0.95,517 0.514,518 0.873,519 0.868,520 0.964,521 0.97,522 1.03,523 0.852,524 1.023,525 1.269,526 1.198,527 1.303,528 1.347,529 1.307,530 1.345,531 2.073,532 0.787,533 1.649,534 0.894,535 2.151,536 1.106,537 2.954,539 1.9,540 0.018,541 3.043,542 0.524,549 2.5,551 2.444,552 1.75,553 1.493,554 0.458,555 0.16,559 1658,560 5370,561 2.097,562 36,563 2,564 5,569 2,572 1.563,573 1.92,574 2.46,575 -0.734,579 1,582 39.793,583 1.592,584 3.373,585 4.134,586 4.404,587 4.404,588 4.404,589 1.505,590 3.078,591 3.982,592 2.409,593 289.106,594 6.756,595 2459.25,597 1,600 116.096,601 1.505,602 3.912,603 0.139,605 0.091,606 0.056,607 0.06,608 0.031,609 0.04,613 0.416,614 0.83,615 1,616 0.703,617 60.885,618 -0.017,619 -0.126,620 0.04,621 -0.018,622 0.001,623 0.014,624 0.045,625 -0.027,626 0.069,627 -0.014,628 0.019,629 0.023,630 0.276,631 -0.023,632 0.236,633 0.006,634 0.264,635 0.086,636 0.059,637 0.013,638 -0.022,639 -0.08,640 0.06,641 -0.07,642 -0.192,643 -0.314,644 -0.295,645 -0.379,646 -0.182,647 -0.37,648 -0.482,649 0.034,650 -0.344,651 0.087,652 -0.467,653 -0.054,654 -0.849,655 0.797,656 -0.311,657 0.982,658 -0.807,659 0.599,666 2.577,667 4.671,668 0.813,669 6.313,670 1.025,671 1.111,672 1.153,673 1.328,674 0.697,675 2.944,676 3.332,677 3.714,678 4.025,679 4.317,680 4.369,681 4.419,682 4.431,683 4.489,684 4.205,685 3.322,686 0.691,687 215.22,688 2.944,689 4.511,690 5.416,691 6.337,692 7.259,693 8.185,694 9.11,695 10.037,696 10.963,697 11.89,698 4,705 1,715 3,720 3,722 6,727 1,741 25,743 9,744 1,745 18,747 27,748 12,749 6,750 3,751 3,752 3,756 3,757 7,767 2,770 2,772 9,773 3,777 3,782 3,786 3,790 1,793 9,794 4,796 4,802 1,808 0.333,809 3,829 3,833 3,835 1,841 1,844 1,859 1,868 16,876 3,881 1,893 12,896 3,901 8.333,902 4.7,903 3.444,904 1.651,907 1.59,908 1.242,909 1.015,910 1.827,911 8.168,912 3.219,913 3.795,914 4.428,915 4.926,916 5.44,917 5.66,918 5.923,919 6.08,920 6.277,921 6.205,922 0.5,923 31,924 6.005,926 2.8,927 0.026,929 8.219,931 11.059,933 9.612,936 2.719,937 43.5,938 0.002,941 105.94,942 59.703,943 3.124,945 75.435,948 59.703,949 181.375,950 3.124,952 10.299,953 28.429,954 90.406,955 9.128,957 105.94,959 105.94,960 62.827,961 75.435,964 82.398,965 98.977,968 10.299,969 52.528,972 105.94,973 78.559,974 59.703,977 105.94,978 31.274,979 31.553,981 75.435,982 105.94,983 78.559,984 59.703,986 0.6,987 0.387,988 0.216,989 0.12,990 16,991 7,994 3,995 1.385,996 2.693,997 121.568,998 0.462,999 12,1000 64,1005 9.435,1006 3.098,1007 1.144,1009 78.559,1010 5.282,1015 2.017,1018 244.202,1019 24,1024 34.791,1028 -2.254,1031 25.618,1032 27.787,1034 0.343,1035 0.726,1036 0.89,1037 0.948,1038 0.948,1039 0.948,1040 4.494,1041 0.361,1042 5.442,1043 1.563,1044 4.007,1045 4.477,1046 1.356,1047 6.361,1048 4.011,1049 5.715,1050 -0.414,1051 7.076,1052 0.83,1053 3.761,1054 4.425,1055 0.325,1056 7.469,1057 3.776,1058 7.051,1059 -0.571,1060 8.813,1061 -1.009,1062 5.7,1063 6.653,1064 1.511,1065 10.656,1066 5.698,1067 8.425,1068 -0.844,1069 10.609,1070 -1.548,1071 6.275,1072 7.42,1073 0.653,1074 12.567,1075 6.288,1076 9.834,1077 -1.293,1078 12.441,1079 -2.058,1080 7.722,1081 9.153,1082 1.739,1083 15.299,1084 7.714,1085 11.267,1086 -1.414,1087 14.297,1088 -3.234,1089 8.655,1090 10.275,1091 1.001,1092 17.542,1093 8.656,1094 12.72,1095 -1.618,1096 16.169,1097 -4,1098 9.931,1099 11.831,1100 1.993,1101 20.122,1102 9.916,1103 3.354,1104 -1.739,1105 18.055,1106 -4.681,1107 11.02,1108 13.113,1109 1.37,1110 22.509,1111 11.006,1112 2.634,1113 12.138,1114 19.951,1115 -5.527,1116 12.241,1117 14.601,1118 2.264,1119 25.035,1120 12.215,1121 2.414,1122 8.715,1123 21.855,1124 4.233,1125 13.396,1126 15.96,1127 1.754,1128 27.483,1129 13.366,1130 1.827,1131 8.021,1132 23.767,1133 3.429,1134 14.601,1135 17.42,1136 2.551,1137 29.99,1138 14.562,1139 1.414,1140 5.647,1141 25.684,1142 2.924,1143 15.785,1144 18.818,1145 2.143,1146 32.465,1147 15.741,1148 1.27,1149 3.196,1150 27.607,1151 2.298,1152 16.989,1153 20.266,1154 2.851,1155 34.965,1156 16.936,1157 0.618,1158 3,1159 29.533,1160 1.966,1161 18.185,1162 21.684,1163 2.535,1164 37.452,1165 18.127,1166 1672,1167 3092,1168 11.849,1169 17.415,1170 28.666,1171 31.204,1172 29.641,1173 27.911,1174 27.784,1175 35.361,1176 2.986,1177 86.22,1178 27.941,1179 5.6,1180 6.053,1181 6.64,1182 5.393,1183 5.354,1184 7.233,1185 2.293,1186 20.138,1187 5.338,1188 7.365,1189 1.593,1190 1.734,1191 1.647,1192 1.551,1193 1.544,1194 1.964,1195 0.166,1196 4.79,1197 1.552,1198 4.055,1199 4.078,1200 4.018,1201 3.964,1202 7.531,1203 3.972,1204 3.567,1205 3.581,1206 3.529,1207 3.4,1208 7.411,1209 3.422,1210 3.517,1211 3.557,1212 3.392,1213 3.369,1214 7.327,1215 3.374,1216 2.964,1217 2.993,1218 2.907,1219 2.721,1220 4.696,1221 2.744,1222 2.887,1223 2.929,1224 2.753,1225 2.682,1226 4.065,1227 2.697,1228 2.706,1229 2.746,1230 2.591,1231 2.556,1232 3.679,1233 2.57,1234 2.416,1235 2.483,1236 2.207,1237 2.139,1238 3.354,1239 2.149,1240 2.169,1241 2.142,1242 2.144,1243 1.609,1244 3.175,1245 1.754,1246 0.258,1247 0.225,1248 0.393,1249 0.242,1250 0.186,1251 4.644,1252 0.235,1253 4.053,1254 0.067,1255 7.072,1256 0.674,1257 4.347,1258 0.185,1259 3.354,1260 4.233,1261 1.2,1262 12.138,1263 3.338,1264 2.004,1265 1.982,1266 2.101,1267 2.116,1268 1.367,1269 2.109,1270 1.528,1271 1.479,1272 1.758,1273 1.696,1274 0.961,1275 1.715,1276 1.448,1277 1.44,1278 1.522,1279 1.652,1280 0.63,1281 1.614,1282 0.886,1283 0.815,1284 1.215,1285 1.155,1286 0.32,1287 1.169,1288 0.807,1289 0.792,1290 1,1291 1.07,1292 0.121,1293 1.032,1294 0.662,1295 0.626,1296 0.838,1297 0.857,1299 0.851,1300 0.35,1301 0.295,1302 0.646,1303 0.687,1305 0.686,1306 0.024,1308 0.542,1309 0.434,1311 0.502,1312 3.611,1314 4.977,1316 6.581,1318 8.296,1320 10.071,1328 2.222,1333 1.442,1340 17.273,1341 39.793,1342 84.322,1343 103.342,1344 110.096,1345 110.096,1346 110.096,1347 30.964,1348 6.578,1349 56.14,1350 56.14,1351 18,1352 12.394,1353 3.322,1354 2.807,1355 21.484,1356 34,1357 22,1358 0.36,1359 104.917,1360 189.71,1361 247.757,1362 4986,1364 11.284,1365 0.705,1366 0.533,1367 11.284,1368 8.525,1369 7.698,1370 0.428,1371 0.29,1372 5.156,1373 7.419,1374 5.081,1375 4.143,1376 7.698,1377 5.223,1378 7.104,1379 0.263,1380 0.149,1381 7.104,1382 4.032,1383 6.767,1384 0.169,1385 0.078,1386 6.767,1387 3.108,1388 5.648,1389 0.103,1390 0.043,1391 5.648,1392 2.38,1393 4.813,1394 0.065,1395 0.024,1396 4.813,1397 1.768,1398 0.505,1399 48.46,1400 0.291,1401 15.168,1402 1.19,1403 90,1404 306.852,1405 99.169,1406 289.87,1407 385.71,1408 268,1409 112,1410 274.43,1411 122.75,1412 275.157,1413 413.82,1414 260,1415 4}
{0 CHEMBL235490,1 1.402,2 7.3,3 3.087,4 9.531,5 74.999,6 7.95,7 0.571,8 3.615,9 3.693,10 3.226,11 3.18,12 4.862,13 3.177,14 4.086,15 4.212,16 3.518,17 3.485,18 5.289,19 3.481,20 4.221,21 4.339,22 3.69,23 3.584,24 5.65,25 3.589,26 4.302,27 4.417,28 3.679,29 3.559,30 5.77,31 3.566,32 4.346,33 4.495,34 3.565,35 3.524,36 5.811,37 3.501,38 4.275,39 4.462,40 3.3,41 3.387,42 5.578,43 3.337,44 4.054,45 4.223,46 3.134,47 3.234,48 5.261,49 3.178,50 3.896,51 4.083,52 2.843,53 3.125,54 4.885,55 3.009,56 0.045,57 0.398,58 5.808,59 3.303,60 5.112,61 3.692,62 0.226,63 0.617,64 11.551,65 5.096,66 22.113,67 5.646,68 0.259,69 0.705,70 12.806,71 5.829,72 45.688,73 6.599,74 0.441,75 0.742,76 14.575,77 6.049,78 45.713,79 6.563,80 0.5,81 0.774,82 16.394,83 6.389,84 62.63,85 7.251,86 0.401,87 0.721,88 16.527,89 5.995,90 72.639,91 6.898,92 0.404,93 0.577,94 12.844,95 4.788,96 52.387,97 5.452,98 0.162,99 0.518,100 10.175,101 4.418,102 13.137,103 5.47,104 21,105 28,106 0.258,107 0.528,108 0.593,109 0.68,110 0.702,111 0.702,112 3.058,113 0.863,114 -3.52,115 -3.5,116 -3.34,121 47.1,126 2,144 8,145 2,146 2,159 2,176 8,180 6,187 8,191 1,192 8,200 5,205 2,206 8,214 2,218 2,219 8,227 5,232 4,239 6,243 1,244 4,251 6,256 2,264 4,277 1,281 468,282 13.621,283 13.621,284 13.621,285 13.621,286 13.621,287 11.997,288 10.374,289 8.055,290 13.917,291 10.178,292 10.178,293 10.178,294 10.178,295 10.178,296 7.591,297 11.284,298 3.565,299 10.424,300 3.685,301 2.221,302 1.868,303 1.397,304 1.28,305 1.28,306 3.713,310 1,311 1,312 1,313 298,314 3.162,318 136.689,325 1.1,326 27.651,328 1,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 44,338 146,339 4.498,340 3.863,341 6.744,342 4.171,343 3.156,344 4.092,345 0.86,346 10.848,347 3.205,348 4.204,349 3.169,350 6.304,351 3.803,352 2.828,353 3.828,354 0.86,355 9.432,356 2.756,357 3.627,358 2.852,359 5.46,360 3.218,361 2.228,362 2.969,364 6.62,365 2.189,366 3.005,367 2.641,368 4.655,369 2.593,370 1.618,371 2.163,373 4.476,374 1.573,375 2.917,376 1.749,377 4.042,378 2.462,379 1.495,380 2.086,382 3.289,383 1.437,384 2.917,385 1.745,386 3.654,387 2.453,388 1.466,389 2.081,391 3.064,392 1.435,393 2.592,394 1.318,395 3.592,396 2.095,397 1.078,398 1.597,400 2.664,401 1.093,402 2.245,403 1.318,404 3.173,405 1.641,406 0.618,407 0.883,409 1.277,410 0.613,411 1.644,412 0.939,413 2.722,414 1.343,415 0.466,416 0.529,418 0.699,419 0.404,420 1.63,421 0.939,422 2.626,423 1.275,424 0.315,425 0.413,427 0.507,428 0.301,429 0.794,430 0.029,431 2.144,432 0.377,433 -0.592,434 -0.743,436 -1.156,437 -0.558,438 0.789,439 -0.131,440 2,441 0.371,442 -0.618,443 -0.831,445 -1.203,446 -0.596,447 0.57,448 -0.467,449 2,450 0.101,451 -0.888,452 -1.261,454 -2.076,455 -0.878,456 0.569,457 -0.749,458 1.563,459 0.101,460 -0.888,461 -1.29,463 -2.076,464 -0.883,465 0.184,466 -0.928,467 1.306,468 -0.247,469 -1.348,470 -2,472 -3.502,473 -1.472,474 9.333,475 0.467,476 0.401,477 0.02,478 28,479 1.4,480 16,481 0.8,482 12,483 0.6,484 11.875,485 0.594,486 21.267,487 0.625,488 21.025,489 1.051,490 6.085,491 0.304,492 3.6,493 0.18,494 0.179,496 0.321,501 0.694,502 1.115,503 0.705,504 1.09,505 0.565,506 0.938,507 1.133,508 0.836,509 0.84,510 0.814,511 0.76,512 0.765,513 0.915,514 1.098,515 0.763,516 1.065,517 0.78,518 0.914,519 1.176,520 1.147,521 0.999,522 1.124,523 1.267,524 1.039,525 1.155,526 1.083,527 1.069,528 1.075,529 1.607,530 1.056,531 1.409,532 0.917,533 1.161,534 0.913,535 1.973,536 0.962,537 1.292,538 0.865,539 1.207,540 0.88,541 1.434,542 0.994,543 0.82,544 1.296,545 1.249,546 1.327,547 0.287,548 1.382,549 3,551 2.667,552 1.75,553 1.324,554 0.764,555 0.286,556 0.125,557 0.122,558 0.031,559 3193,560 10085,561 1.966,562 41.2,564 14,572 1.624,573 1.818,574 2.929,575 -0.787,577 1,579 1,582 47.671,583 1.402,584 2.867,585 3.22,586 3.69,587 3.808,588 3.808,589 2.246,590 3.122,591 4.297,592 3.027,593 575.065,594 7.371,595 5852.2,596 1,597 1,598 1,599 1,600 172.974,601 1.485,602 4.237,603 0.143,605 0.095,606 0.055,607 0.044,608 0.029,609 0.014,610 0.007,611 0.01,612 0.008,613 0.406,614 0.67,615 1,616 1.013,617 87.136,618 -0.019,619 -0.09,620 0.04,621 -0.077,622 -0.054,623 -0.019,624 -0.155,625 0.163,626 0.048,627 0.172,628 -0.081,629 0.163,630 0.067,631 -0.105,632 0.12,633 -0.086,634 0.205,635 0.007,636 0.063,637 -0.166,638 -0.061,639 -0.169,640 0.048,641 -0.151,642 0.046,643 -0.114,644 -0.087,645 -0.123,646 -0.023,647 -0.135,648 -0.233,649 0.042,650 -0.129,651 0.039,652 -0.306,653 -0.008,654 -0.117,655 0.104,656 -0.206,657 0.077,658 -0.266,659 -0.054,660 -0.086,661 -0.33,662 -0.33,663 -0.349,664 -0.017,665 -0.39,666 2.285,667 5.308,668 0.6,669 12.6,670 1.015,671 1.11,672 2.29,673 5.245,674 0.681,675 3.091,676 3.367,677 3.664,678 3.85,679 3.97,680 3.807,681 3.784,682 3.714,683 3.638,684 3.497,685 4.699,686 0.663,687 270.3,688 3.091,689 4.595,690 5.442,691 6.304,692 7.169,693 8.038,694 8.907,695 9.777,696 10.648,697 11.52,715 8,720 4,722 12,727 2,739 2,741 34,743 14,744 2,745 21,747 35,748 16,749 12,750 4,751 8,752 2,756 2,757 2,772 14,773 2,777 2,782 2,786 2,789 1,790 1,793 14,794 4,796 4,808 1,809 4,829 2,859 2,864 2,868 20,878 2,893 11.8,896 2,898 2,901 11,902 6.833,903 4.722,904 1.813,907 2.263,908 1.367,909 0.935,910 4.41,911 8.432,912 3.401,913 3.951,914 4.559,915 5.042,916 5.483,917 5.43,918 5.649,919 5.745,920 5.921,921 6.09,922 0.8,923 32,924 7.402,926 3.087,927 0.026,929 8.05,931 13.544,933 10.36,936 2.55,937 51,941 164.795,942 124.701,945 72.29,948 124.701,949 237.085,951 21.766,953 75.81,954 60.557,955 38.858,957 164.795,959 164.795,960 124.701,961 72.29,964 164.795,965 72.29,969 124.701,972 164.795,973 72.29,974 124.701,977 164.795,978 27.125,979 97.576,981 72.29,982 164.795,983 72.29,984 124.701,986 0.563,987 0.363,988 0.199,989 0.1,990 12,991 6,992 0.143,993 5,995 1,996 3.091,997 145.2,999 12,1000 66.439,1005 14.13,1006 6.242,1007 2.849,1009 72.29,1010 13.261,1015 1.235,1018 361.786,1019 29,1024 24.616,1028 -1.237,1031 34.494,1032 37.744,1034 0.276,1035 0.563,1036 0.633,1037 0.725,1038 0.748,1039 0.748,1040 4.595,1041 0.618,1042 5.416,1043 2.664,1044 4.043,1045 4.635,1046 1.376,1047 6.24,1048 4.017,1049 5.795,1050 0.466,1051 6.993,1052 1.277,1053 3.611,1054 4.369,1056 7.239,1057 3.611,1058 7.097,1059 0.315,1060 8.681,1061 0.699,1062 5.638,1063 6.811,1064 1.159,1065 10.359,1066 5.613,1067 8.444,1068 -0.592,1069 10.434,1070 0.507,1071 6.089,1072 7.398,1074 12.178,1075 6.094,1076 9.827,1077 -0.618,1078 12.228,1079 -1.156,1080 7.559,1081 9.28,1082 0.963,1083 14.82,1084 7.552,1085 11.234,1086 -0.888,1087 14.048,1088 -1.203,1089 8.395,1090 10.259,1092 16.945,1093 8.417,1094 12.66,1095 -0.888,1096 15.886,1097 -2.076,1098 9.651,1099 11.899,1100 0.787,1101 19.423,1102 9.675,1103 3.156,1104 -1.348,1105 17.737,1106 -2.076,1107 10.655,1108 13.07,1110 21.677,1111 10.702,1112 2.828,1113 10.848,1114 19.597,1115 -3.502,1116 11.83,1117 14.593,1118 0.634,1119 24.091,1120 11.887,1121 2.228,1122 9.432,1123 21.463,1124 4.092,1125 12.906,1126 15.865,1128 26.404,1129 12.984,1130 1.618,1131 6.62,1132 23.335,1133 3.828,1134 14.052,1135 17.327,1136 0.504,1137 28.793,1138 14.145,1139 1.495,1140 4.476,1141 25.211,1142 2.969,1143 15.159,1144 18.653,1146 31.135,1147 15.272,1148 1.466,1149 3.289,1150 27.091,1151 2.163,1152 16.296,1153 20.084,1154 0.395,1155 33.514,1156 16.426,1157 1.078,1158 3.064,1159 28.973,1160 2.086,1161 17.418,1162 21.439,1164 35.872,1165 17.569,1166 3307,1167 5970,1168 13.523,1169 23.148,1170 30.938,1171 33.221,1172 32.693,1173 30.489,1174 30.538,1175 41.28,1176 3.44,1177 85.753,1178 30.012,1179 5.341,1180 5.863,1181 6.436,1182 5.171,1183 5.156,1184 7.092,1185 1.72,1186 18.371,1187 5.205,1188 10.424,1189 1.473,1190 1.582,1191 1.557,1192 1.452,1193 1.454,1194 1.966,1195 0.164,1196 4.083,1197 1.429,1198 3.99,1199 3.999,1200 3.952,1201 3.909,1202 7.496,1203 3.916,1204 3.865,1205 3.885,1206 3.809,1207 3.796,1208 7.352,1209 3.795,1210 3.397,1211 3.391,1212 3.355,1213 3.221,1214 4.855,1215 3.25,1216 3.25,1217 3.316,1218 3.063,1219 2.968,1220 4.824,1221 2.978,1222 3.247,1223 3.313,1224 3.062,1225 2.967,1226 4.383,1227 2.977,1228 2.872,1229 2.913,1230 2.781,1231 2.748,1232 4.38,1233 2.744,1234 2.781,1235 2.854,1236 2.593,1237 2.644,1238 3.638,1239 2.621,1240 2.752,1241 2.812,1242 2.565,1243 2.608,1244 3.596,1245 2.587,1246 0.214,1247 0.184,1248 0.321,1249 0.199,1250 0.15,1251 4.498,1252 0.195,1253 3.863,1254 0.041,1255 6.744,1256 0.517,1257 4.171,1258 0.153,1259 3.156,1260 4.092,1261 0.86,1262 10.848,1263 3.205,1264 1.936,1265 1.925,1266 2.023,1267 2.034,1268 1.109,1269 2.028,1270 1.856,1271 1.836,1272 1.967,1273 1.95,1274 1.046,1275 1.955,1276 1.293,1277 1.292,1278 1.574,1279 1.525,1280 0.574,1281 1.535,1282 1.197,1283 1.124,1284 1.572,1285 1.512,1286 0.573,1287 1.532,1288 1.196,1289 1.123,1290 1.38,1291 1.487,1292 0.371,1293 1.453,1294 0.866,1295 0.82,1296 1.132,1297 1.037,1298 0.188,1299 1.069,1300 0.809,1301 0.741,1302 1.097,1303 0.996,1304 0.155,1305 1.036,1306 0.758,1307 0.703,1308 0.971,1309 0.943,1310 0.088,1311 0.953,1312 3.761,1314 5.043,1316 6.555,1318 8.165,1320 9.82,1322 2.916,1330 10.21,1340 22.547,1341 47.671,1342 97.464,1343 109.464,1344 125.464,1345 129.464,1346 129.464,1347 44.483,1348 6.17,1349 52.6,1350 52.6,1351 12,1352 12.062,1353 3.907,1354 3.17,1355 36.141,1356 56,1357 48,1358 0.327,1359 142.027,1360 252.88,1361 338.306,1362 3117,1364 14.535,1365 0.727,1366 0.563,1367 14.535,1368 11.252,1369 9.685,1370 0.461,1371 0.288,1372 5.926,1373 9.252,1374 5.725,1375 4.816,1376 9.685,1377 6.038,1378 7.952,1379 0.284,1380 0.145,1381 7.952,1382 4.059,1383 7.165,1384 0.189,1385 0.077,1386 7.165,1387 2.909,1388 5.651,1389 0.123,1390 0.042,1391 5.651,1392 1.909,1393 4.285,1394 0.082,1395 0.023,1396 4.285,1397 1.184,1398 0.491,1399 61.496,1400 0.272,1401 19.529,1402 0.965,1403 98,1404 360.942,1405 107.964,1406 336.623,1407 444.66,1408 314,1409 115,1410 306.364,1411 125.742,1412 312.18,1413 453.28,1414 290,1415 4}
{0 CHEMBL235503,1 1.239,2 5.833,3 3.107,4 9.652,5 68.915,6 8.932,7 0.762,8 3.407,9 3.468,10 3.15,11 3.176,12 4.63,13 3.159,14 3.9,15 3.973,16 3.574,17 3.608,18 5.125,19 3.586,20 4.157,21 4.271,22 3.705,23 3.714,24 5.559,25 3.687,26 4.136,27 4.268,28 3.572,29 3.627,30 5.41,31 3.587,32 4.023,33 4.16,34 3.345,35 3.344,36 5.471,37 3.318,38 3.705,39 3.876,40 2.663,41 2.871,42 5.073,43 2.793,44 3.132,45 3.364,46 1.741,47 2.211,48 4.267,49 2.044,50 2.347,51 2.68,52 0.395,53 1.23,54 3.045,55 0.951,56 0.009,57 0.224,58 2.902,59 1.892,60 4.1,61 2.163,62 0.018,63 0.384,64 5.147,65 3.244,66 9.373,67 3.708,68 0.15,69 0.564,70 8.984,71 4.775,72 42.51,73 5.646,74 0.072,75 0.573,76 9.356,77 4.87,78 21.845,79 5.726,80 0.113,81 0.536,82 9.173,83 4.478,84 26.684,85 4.803,86 0.196,87 0.43,88 8.197,89 3.543,90 45.326,91 3.38,92 0.088,93 0.26,94 5.216,95 2.222,96 19.467,97 2.595,98 0.044,99 0.139,100 3.24,101 1.229,102 9.744,103 1.694,104 5,105 32,106 0.234,107 0.438,108 0.602,109 0.776,110 0.86,111 0.889,112 2.966,113 0.83,114 -4.55,115 -4.48,116 -4.21,121 61.5,144 8,145 6,159 2,176 16,180 2,187 22,191 1,192 6,200 21,206 7,214 14,219 9,227 10,232 3,239 6,244 1,251 2,281 264,282 12.414,283 12.414,284 12.414,285 12.414,286 12.414,287 10.478,288 1.747,289 7.072,290 12.366,291 10.357,292 10.357,293 10.357,294 10.357,295 10.357,296 7.249,297 0.589,298 3.329,299 10.247,300 3.462,301 2.385,302 1.52,303 0.597,304 0.154,306 3.664,311 1,312 1,313 238,314 2,317 19.608,318 73.58,321 72.215,322 80.94,323 45.527,325 0.759,326 20.289,329 1,330 0.83,331 1,332 0.4,334 1,335 1,336 0.75,337 38,338 105,339 4.868,340 3.924,341 7.237,342 4.464,343 3.452,344 4.865,346 12.813,347 3.494,348 4.215,349 3.087,350 6.302,351 3.771,352 2.76,353 3.97,355 9.401,356 2.79,357 3.927,358 2.91,359 5.956,360 3.488,361 2.469,362 3.458,364 8.134,365 2.51,366 3.405,367 2.53,368 5.466,369 2.986,370 1.971,371 2.741,373 6.49,374 1.998,375 3.188,376 1.988,377 4.979,378 2.706,379 1.679,380 2.446,382 5.165,383 1.717,384 2.897,385 1.653,386 4.105,387 2.401,388 1.396,389 2.078,391 3.307,392 1.402,393 2.827,394 1.398,395 3.708,396 2.328,397 1.327,398 1.985,400 2.981,401 1.328,402 2.551,403 1.321,404 3.616,405 2.038,406 1.011,407 1.488,409 2.523,410 1.034,411 1.966,412 0.803,413 3,414 1.349,415 0.276,416 0.45,418 0.657,419 0.293,420 1.31,421 0.038,422 2.951,423 0.791,424 -0.253,425 -0.399,427 -0.662,428 -0.264,429 1.08,430 -0.12,431 2.521,432 0.585,433 -0.42,434 -0.626,436 -1.123,437 -0.421,438 0.791,439 -0.452,440 2.355,441 0.315,442 -0.706,443 -1.01,445 -1.787,446 -0.717,447 0.536,448 -0.787,449 2.1,450 0.053,451 -0.966,452 -1.41,454 -2.475,455 -0.979,456 0.308,457 -1.037,458 2,459 -0.181,460 -1.185,461 -1.76,463 -3.227,464 -1.19,465 0.155,466 -1.159,467 1.697,468 -0.271,469 -1.361,470 -2,472 -3.705,473 -1.493,474 8.667,475 0.481,476 0.487,477 0.027,478 28,479 1.556,480 17,481 0.944,482 11,483 0.611,484 9.656,485 0.536,486 16.533,487 0.636,488 18.11,489 1.006,490 5.545,491 0.308,492 3.226,493 0.179,494 0.077,496 0.462,501 0.434,502 0.7,503 0.572,504 0.699,505 0.48,506 0.67,507 0.524,508 0.846,509 0.691,510 0.845,511 0.565,512 0.81,513 0.603,514 0.918,515 0.738,516 0.913,517 0.632,518 0.865,519 0.84,520 1.066,521 0.914,522 1.06,523 0.844,524 1.014,525 1.466,526 1.266,527 1.165,528 1.243,529 1.408,530 1.17,531 2.149,532 1.068,533 1.703,534 1.086,535 2.097,536 1.26,537 1.405,538 1.198,539 1.615,540 1.237,541 1.389,542 1.413,543 0.845,544 0.81,545 1.176,546 0.852,547 0.849,548 1.024,549 2.5,551 2.222,552 2.236,553 1.506,554 0.674,555 0.156,556 0.028,559 2504,560 7043,561 2.217,562 30.8,564 8,572 1.598,573 2.077,574 2.576,575 -0.873,579 1,582 32.211,583 1.239,584 2.316,585 3.181,586 4.104,587 4.547,588 4.7,589 1.802,590 3.948,591 4.149,592 2.584,593 395.328,594 7.093,595 3553.42,596 1,597 1,599 1,600 122.211,601 1.392,602 4.106,603 0.119,605 0.069,606 0.064,607 0.05,608 0.031,609 0.016,610 0.009,613 0.358,614 0.83,615 1,616 0.584,617 72.089,618 0.001,619 0.065,620 0.034,621 0.064,622 -0.039,623 0.057,625 -0.052,626 -0.027,627 -0.052,628 -0.034,629 -0.046,630 0.213,631 -0.015,632 0.124,633 -0.01,634 0.187,635 0.029,636 -0.005,637 -0.132,638 0.01,639 -0.122,640 -0.007,641 -0.069,642 -0.111,643 -0.259,644 -0.119,645 -0.25,646 -0.052,647 -0.2,648 -0.437,649 0.054,650 -0.493,651 0.015,652 -0.389,653 -0.189,654 -0.208,655 -0.024,656 -0.265,657 -0.043,658 -0.209,659 -0.137,660 0.026,661 0.558,662 0.553,663 0.587,664 -0.011,665 0.649,666 2.049,667 5.142,668 0.889,669 8.444,670 1.007,671 1.08,672 3.322,673 11.037,674 0.767,675 3.091,676 3.497,677 3.912,678 4.304,679 4.635,680 4.771,681 4.949,682 5.1,683 5.118,684 5.03,685 3.616,686 0.751,687 232.24,688 3.091,689 4.673,690 5.595,691 6.535,692 7.478,693 8.427,694 9.375,695 10.326,696 11.276,697 12.228,714 4,715 8,720 2,722 16,727 2,741 26,743 18,744 3,745 21,747 29,748 16,749 14,750 6,751 8,752 2,756 4,757 12,772 16,777 2,782 2,786 2,790 1,793 8,794 2,796 2,808 0.25,809 2,828 1,829 3,832 2,833 2,834 1,859 1,868 18,893 7.7,896 2,901 8.667,902 5,903 3.806,904 1.639,907 3.745,908 1.513,909 1.115,910 1.619,911 11.045,912 3.466,913 4.197,914 4.977,915 5.719,916 6.44,917 6.92,918 7.463,919 7.968,920 8.382,921 8.6,922 0.75,923 35,924 6.694,926 3.11,927 0.026,929 7.907,931 12.61,933 11.172,936 2.407,937 43.333,938 0.001,941 94.169,942 102.74,945 50.29,948 102.74,949 144.459,953 75.81,954 60.557,955 16.663,957 94.169,959 94.169,960 102.74,961 50.29,964 94.169,965 50.29,969 102.74,972 94.169,973 50.29,974 102.74,977 94.169,978 26.93,979 75.81,981 50.29,982 94.169,983 50.29,984 102.74,986 0.598,987 0.382,988 0.229,989 0.135,990 20,991 8,994 4,995 1.438,996 2.951,997 151.408,998 0.5,999 15,1000 75.059,1005 9.551,1006 3.051,1007 1.06,1008 3.639,1009 50.29,1010 15.228,1015 1.113,1018 247.199,1019 31,1024 24.113,1028 -0.759,1031 26.189,1032 28.08,1034 0.264,1035 0.493,1036 0.677,1037 0.873,1038 0.967,1039 1,1040 4.718,1041 1.011,1042 5.617,1043 2.981,1044 4.174,1045 4.883,1047 6.555,1048 4.199,1049 5.986,1050 0.276,1051 7.251,1052 2.523,1053 3.892,1054 4.89,1056 7.678,1057 3.94,1058 7.347,1059 -0.253,1060 8.989,1061 0.657,1062 5.878,1063 7.291,1065 10.893,1066 5.924,1067 8.751,1068 -0.42,1069 10.788,1070 -0.662,1071 6.447,1072 8.151,1074 12.87,1075 6.518,1076 10.19,1077 -0.706,1078 12.626,1079 -1.123,1080 7.927,1081 10.028,1083 15.62,1084 7.997,1085 11.657,1086 -0.966,1087 14.491,1088 -1.787,1089 8.879,1090 11.282,1092 17.943,1093 8.971,1094 13.145,1095 -1.185,1096 16.375,1097 -2.475,1098 10.181,1099 12.961,1101 20.549,1102 10.276,1103 3.452,1104 -1.361,1105 18.274,1106 -3.227,1107 11.297,1108 14.394,1110 23.01,1111 11.41,1112 2.76,1113 12.813,1114 20.186,1115 -3.705,1116 12.542,1117 16,1119 25.573,1120 12.663,1121 2.469,1122 9.401,1123 22.108,1124 4.865,1125 13.725,1126 17.512,1128 28.088,1129 13.861,1130 1.971,1131 8.134,1132 24.038,1133 3.97,1134 14.956,1135 19.093,1137 30.639,1138 15.102,1139 1.679,1140 6.49,1141 25.976,1142 3.458,1143 16.168,1144 20.641,1146 33.174,1147 16.328,1148 1.396,1149 5.165,1150 27.92,1151 2.741,1152 17.398,1153 22.216,1155 35.723,1156 17.569,1157 1.327,1158 3.307,1159 29.868,1160 2.446,1161 18.623,1162 23.78,1164 38.267,1165 18.806,1166 2380,1167 4069,1168 14.334,1169 19.955,1170 33.118,1171 35.117,1172 33.978,1173 32.718,1174 32.681,1175 46.96,1177 102.942,1178 33.132,1179 5.677,1180 5.924,1181 6.918,1182 5.464,1183 5.452,1184 7.865,1186 20.51,1187 5.494,1188 6.563,1189 1.577,1190 1.672,1191 1.618,1192 1.558,1193 1.556,1194 2.236,1196 4.902,1197 1.578,1198 4.216,1199 4.223,1200 4.193,1201 4.183,1202 7.497,1203 4.184,1204 3.787,1205 3.809,1206 3.731,1207 3.732,1208 7.351,1209 3.728,1210 3.474,1211 3.474,1212 3.436,1213 3.344,1214 4.931,1215 3.364,1216 3.19,1217 3.231,1218 3.093,1219 3.113,1220 4.587,1221 3.102,1222 2.911,1223 2.951,1224 2.815,1225 2.79,1226 3.99,1227 2.789,1228 2.632,1229 2.662,1230 2.564,1231 2.496,1232 3.878,1233 2.488,1234 2.561,1235 2.585,1236 2.463,1237 2.415,1238 3.539,1239 2.438,1240 2.446,1241 2.454,1242 2.367,1243 2.202,1244 3.273,1245 2.232,1246 0.232,1247 0.187,1248 0.345,1249 0.213,1250 0.164,1251 4.868,1252 0.232,1253 3.924,1255 7.237,1256 0.61,1257 4.464,1258 0.166,1259 3.452,1260 4.865,1262 12.813,1263 3.494,1264 2.138,1265 2.126,1266 2.196,1267 2.174,1268 1.386,1269 2.182,1270 1.794,1271 1.774,1272 1.902,1273 1.873,1274 0.999,1275 1.881,1276 1.405,1277 1.407,1278 1.487,1279 1.58,1280 0.543,1281 1.538,1282 1.133,1283 1.102,1284 1.3,1285 1.259,1286 0.407,1287 1.278,1288 1.061,1289 1.036,1290 1.199,1291 1.201,1292 0.226,1293 1.205,1294 0.739,1295 0.687,1296 1.004,1297 0.93,1298 0.029,1299 0.958,1300 0.576,1301 0.535,1302 0.803,1303 0.715,1305 0.746,1306 0.188,1307 0.097,1308 0.631,1309 0.49,1311 0.539,1312 3.761,1314 5.142,1315 2.398,1316 6.749,1317 4.949,1318 8.46,1319 7.235,1320 10.228,1340 19.537,1341 32.211,1342 60.211,1343 82.702,1344 106.702,1345 118.211,1346 122.211,1347 27.092,1348 7.3,1349 34.14,1350 34.14,1351 23,1352 12.716,1353 4.248,1354 3.459,1355 22.376,1356 41,1357 32,1358 0.302,1359 116.32,1360 197.04,1361 275.581,1362 12582,1364 12.276,1365 0.682,1366 0.524,1367 12.276,1368 9.435,1369 8.771,1370 0.418,1371 0.277,1372 5.779,1373 8.644,1374 5.657,1375 4.637,1376 8.771,1377 5.807,1378 8.172,1379 0.255,1380 0.142,1381 8.172,1382 4.535,1383 7.775,1384 0.159,1385 0.073,1386 7.775,1387 3.566,1388 7.029,1389 0.096,1390 0.038,1391 7.029,1392 2.783,1393 6.319,1394 0.062,1395 0.02,1396 6.319,1397 2.058,1398 0.429,1399 53.78,1400 0.264,1401 17.005,1402 0.983,1403 106,1404 295.471,1405 110.207,1406 291.425,1407 404.42,1408 272,1409 134,1410 300.273,1411 138.761,1412 308.654,1413 464.46,1414 293,1415 4}
{0 CHEMBL235504,1 1.617,2 5.5,3 1.364,4 1.861,5 56.093,6 9.555,7 0.667,8 3.256,9 3.326,10 3.037,11 2.928,12 4.582,13 2.947,14 3.71,15 3.802,16 3.413,17 3.29,18 5.052,19 3.312,20 3.933,21 4.053,22 3.566,23 3.357,24 5.503,25 3.393,26 3.845,27 3.962,28 3.419,29 3.167,30 5.445,31 3.219,32 3.651,33 3.777,34 3.066,35 2.895,36 5.283,37 2.926,38 3.264,39 3.43,40 2.232,41 2.455,42 4.622,43 2.374,44 2.746,45 3.016,46 1.073,47 1.787,48 3.664,49 1.561,50 1.861,51 2.224,52 0.179,53 0.851,54 2.197,55 0.59,56 0.056,57 0.289,58 1.897,59 1.593,60 9.305,61 1.496,62 0.117,63 0.474,64 3.545,65 2.518,66 19.189,67 2.257,68 0.275,69 0.598,70 6.464,71 3.426,72 52.718,73 3.409,74 0.279,75 0.54,76 5.979,77 3.024,78 42.148,79 2.659,80 0.3,81 0.439,82 5.361,83 2.475,84 44.926,85 1.833,86 0.176,87 0.278,88 4.187,89 2.034,90 30.75,91 1.8,92 0.102,93 0.164,94 3.994,95 1.558,96 18.728,97 2.02,98 0.035,99 0.066,100 2.316,101 0.723,102 6.017,103 1.194,104 5,105 26,106 0.323,107 0.569,108 0.656,109 0.692,110 0.692,111 0.692,112 2.858,113 0.797,114 -1.55,115 -1.63,116 -1.66,121 54.5,144 4,145 2,147 2,148 2,159 2,176 4,180 6,187 2,191 2,192 8,200 1,205 2,206 6,214 2,218 2,219 4,227 3,239 2,251 1,281 176,282 10.966,283 10.966,284 10.966,285 10.966,286 10.966,287 9.406,288 1.747,289 6.406,290 11.038,291 8.857,292 8.857,293 8.857,294 8.857,295 8.857,296 6.417,297 0.589,298 2.994,299 8.936,300 2.842,301 1.614,302 1.182,303 1,304 1,305 1,306 3.532,311 1,312 1,313 192,314 1.732,318 75.16,322 84.372,325 0.75,326 23.487,329 1,330 0.83,331 1,332 0.4,334 1,335 1,336 0.75,337 35,338 88,339 4.653,340 3.879,341 6.983,342 4.316,343 3.311,344 4.321,346 11.804,347 3.331,348 3.918,349 2.983,350 6.033,351 3.497,352 2.499,353 3.486,355 8.419,356 2.493,357 3.784,358 2.881,359 5.927,360 3.415,361 2.401,362 3.125,364 7.908,365 2.418,366 2.977,367 2.135,368 4.172,369 2.497,370 1.506,371 2.186,373 3.411,374 1.491,375 2.973,376 1.526,377 4.106,378 2.472,379 1.496,380 2.158,382 3.409,383 1.455,384 2.592,385 1.323,386 3.597,387 2.059,388 1.077,389 1.597,391 2.664,392 1.051,393 2.5,394 1.309,395 3.545,396 1.956,397 1,398 1.5,400 2.449,401 0.954,402 2.204,403 1,404 3.164,405 1.532,406 0.425,407 0.71,409 0.989,410 0.464,411 1.107,412 0.077,413 2.605,414 0.689,415 -0.298,416 -0.393,418 -0.733,419 -0.293,420 0.746,421 -0.536,422 2,423 0.247,424 -0.757,425 -1.145,427 -1.795,428 -0.754,429 0.629,430 -0.556,431 2,432 0.126,433 -0.863,434 -1.249,436 -2.072,437 -0.848,438 0.5,439 -0.932,440 2,441 -0.026,442 -1,443 -1.5,445 -2.449,446 -0.974,447 0.184,448 -1,449 1.592,450 -0.25,451 -1.348,452 -2,454 -3.502,455 -1.481,456 -0.345,457 -1.505,458 1.251,459 -0.643,460 -1.662,461 -2.208,463 -5,464 -1.7,465 -0.5,466 -1.784,467 1.233,468 -0.811,469 -1.786,470 -2.222,472 -5.274,473 -1.723,474 7.467,475 0.467,476 0.384,477 0.024,478 25.5,479 1.594,480 15,481 0.938,482 10.5,483 0.656,484 7.458,485 0.466,486 15.333,487 0.697,488 16.009,489 1.001,490 5.152,491 0.322,492 2.636,493 0.165,494 0.089,496 0.402,501 0.55,502 1.047,503 0.535,504 0.853,505 0.518,506 0.735,507 0.733,508 1.089,509 0.714,510 0.933,511 0.671,512 0.838,513 0.777,514 1.016,515 0.674,516 0.926,517 0.732,518 0.806,519 1.199,520 1.149,521 0.934,522 1.046,523 1.221,524 0.949,525 1.561,526 0.881,527 1.397,528 0.979,529 1.593,530 1.089,531 1.542,532 0.946,533 1.88,534 1.317,535 1.599,536 1.606,537 0.847,538 0.844,539 1.567,540 1.215,541 0.967,542 1.529,543 0.044,544 0.527,545 0.669,546 0.757,547 0.06,548 0.874,549 2,551 2.222,552 1.625,553 1.271,554 0.417,555 0.158,559 1744,560 5916,561 2.135,562 27.3,564 4,566 2,572 1.561,573 2,574 2.522,575 -0.734,579 1,582 35.578,583 1.617,584 2.845,585 3.278,586 3.459,587 3.459,588 3.459,589 1.811,590 3,591 3.979,592 2.509,593 301.126,594 6.745,595 2536.17,597 1,600 98.107,601 1.406,602 3.933,603 0.111,605 0.085,606 0.056,607 0.053,608 0.026,609 0.026,613 0.358,614 0.83,615 1,616 0.625,617 61.369,618 -0.026,619 -0.123,620 0.032,621 -0.032,622 -0.046,623 0.001,624 -0.09,625 -0.123,626 -0.055,627 -0.097,628 -0.085,629 -0.068,630 0.143,631 -0.037,632 0.204,633 -0.015,634 0.174,635 0.081,636 -0.033,637 -0.149,638 -0.011,639 -0.135,640 -0.039,641 -0.091,642 -0.195,643 0.133,644 -0.4,645 -0.034,646 -0.178,647 -0.207,648 -0.378,649 -0.078,650 -0.713,651 -0.251,652 -0.351,653 -0.49,654 -0.007,655 -0.044,656 0.046,657 0.062,658 -0.103,659 0.053,660 0.478,661 0.295,662 1.448,663 0.729,664 0.381,665 1.196,666 2.177,667 4.762,668 0.875,669 7,670 1.028,671 1.102,672 0.321,673 0.103,674 0.747,675 2.944,676 3.296,677 3.664,678 3.97,679 4.248,680 4.263,681 4.304,682 4.29,683 4.29,684 3.97,685 3.454,686 0.751,687 210.2,688 2.944,689 4.489,690 5.38,691 6.286,692 7.197,693 8.11,694 9.025,695 9.941,696 10.857,697 11.773,698 9.1,708 2,715 6,716 2,720 4,722 12,727 2,741 22,743 14,745 18,747 24,748 12,749 10,752 2,756 3,757 6,772 12,777 2,782 2,786 2,790 1,793 6,794 4,796 4,802 2,808 0.333,809 2,822 2,829 3,833 2,859 1,868 16,893 9.1,896 2,901 8,902 4.233,903 3.5,904 1.303,907 2.722,908 1.419,909 1.033,910 1.717,911 9.222,912 3.296,913 3.912,914 4.59,915 5.186,916 5.773,917 6.012,918 6.404,919 6.679,920 6.988,921 7.097,922 0.75,923 29,924 5.918,926 2.671,927 0.026,929 8.125,931 10.801,933 8.992,936 2.625,937 42,938 0.001,941 70.627,942 78.151,943 33.571,945 50.29,948 78.151,949 120.916,950 33.571,953 37.905,954 117.67,955 29.979,957 47.084,959 70.627,960 111.722,961 50.29,964 70.627,965 50.29,968 23.608,969 54.543,970 33.571,972 70.627,973 83.861,974 78.151,977 70.627,978 22.152,979 56,981 83.861,982 70.627,983 83.861,984 78.151,986 0.586,987 0.373,988 0.217,989 0.122,990 15,991 6,994 2,995 1.286,996 2.759,997 119.023,998 0.286,999 14,1000 48,1005 8.93,1006 3.076,1007 1.14,1009 83.861,1010 9.636,1011 8.22,1015 1.641,1018 232.639,1019 26,1024 23.524,1028 -1.021,1031 22.625,1032 24.246,1034 0.363,1035 0.638,1036 0.735,1037 0.776,1038 0.776,1039 0.776,1040 4.522,1041 0.425,1042 5.38,1043 2.449,1044 3.97,1045 4.595,1047 6.271,1048 3.963,1049 5.748,1050 -0.298,1051 6.989,1052 0.989,1053 3.611,1054 4.369,1056 7.338,1057 3.643,1058 7.071,1059 -0.757,1060 8.709,1061 -0.733,1062 5.624,1063 6.819,1065 10.525,1066 5.622,1067 8.437,1068 -0.863,1069 10.493,1070 -1.795,1071 6.133,1072 7.452,1074 12.412,1075 6.175,1076 9.839,1077 -1,1078 12.316,1079 -2.072,1080 7.617,1081 9.343,1083 15.128,1084 7.632,1085 11.268,1086 -1.348,1087 14.165,1088 -2.449,1089 8.514,1090 10.383,1092 17.34,1093 8.561,1094 12.718,1095 -1.662,1096 16.031,1097 -3.502,1098 9.802,1099 12.038,1101 19.9,1102 9.835,1103 3.311,1104 -1.786,1105 17.91,1106 -5,1107 10.87,1108 13.282,1110 22.253,1111 10.924,1112 2.499,1113 11.804,1114 19.799,1115 -5.274,1116 12.09,1117 14.83,1119 24.758,1120 12.14,1121 2.401,1122 8.419,1123 21.695,1124 4.321,1125 13.23,1126 16.179,1128 27.174,1129 13.294,1130 1.506,1131 7.908,1132 23.597,1133 3.486,1134 14.43,1135 17.678,1137 29.656,1138 14.495,1139 1.496,1140 3.411,1141 25.504,1142 3.125,1143 15.601,1144 19.081,1146 32.101,1147 15.676,1148 1.077,1149 3.409,1150 27.416,1151 2.186,1152 16.796,1153 20.559,1155 34.575,1156 16.874,1157 1,1158 2.664,1159 29.332,1160 2.158,1161 17.981,1162 21.99,1164 37.032,1165 18.067,1166 1732,1167 3266,1168 12.137,1169 16.443,1170 28.092,1171 29.807,1172 28.832,1173 27.488,1174 27.431,1175 38.163,1177 82.108,1178 27.313,1179 5.534,1180 5.879,1181 6.666,1182 5.356,1183 5.311,1184 7.321,1186 19.804,1187 5.331,1188 5.991,1189 1.561,1190 1.656,1191 1.602,1192 1.527,1193 1.524,1194 2.12,1196 4.562,1197 1.517,1198 4.048,1199 4.067,1200 4.025,1201 3.954,1202 7.497,1203 3.969,1204 3.693,1205 3.734,1206 3.629,1207 3.597,1208 7.352,1209 3.599,1210 3.37,1211 3.37,1212 3.339,1213 3.17,1214 4.953,1215 3.204,1216 2.881,1217 2.931,1218 2.804,1219 2.748,1220 4.705,1221 2.763,1222 2.816,1223 2.853,1224 2.751,1225 2.648,1226 3.843,1227 2.66,1228 2.542,1229 2.595,1230 2.418,1231 2.331,1232 3.754,1233 2.345,1234 2.464,1235 2.514,1236 2.368,1237 2.188,1238 3.669,1239 2.22,1240 2.063,1241 2.07,1242 1.993,1243 1.621,1244 3.178,1245 1.731,1246 0.258,1247 0.216,1248 0.388,1249 0.24,1250 0.184,1251 4.653,1252 0.24,1253 3.879,1255 6.983,1256 0.656,1257 4.316,1258 0.185,1259 3.311,1260 4.321,1262 11.804,1263 3.331,1264 1.985,1265 1.967,1266 2.039,1267 2.094,1268 1.13,1269 2.077,1270 1.677,1271 1.641,1272 1.807,1273 1.8,1274 0.836,1275 1.805,1276 1.253,1277 1.244,1278 1.356,1279 1.477,1280 0.366,1281 1.428,1282 0.838,1283 0.799,1284 0.988,1285 1.018,1286 0.042,1287 1.016,1288 0.761,1289 0.72,1290 0.979,1291 0.971,1293 0.971,1294 0.492,1295 0.437,1296 0.74,1297 0.747,1299 0.755,1300 0.352,1301 0.289,1302 0.582,1303 0.666,1305 0.627,1308 0.303,1309 0.29,1311 0.242,1312 3.611,1314 4.949,1316 6.529,1318 8.223,1320 9.975,1340 16.526,1341 35.578,1342 62.598,1343 72.107,1344 76.107,1345 76.107,1346 76.107,1347 26.001,1348 6.5,1349 59.92,1350 59.92,1351 18,1352 12.284,1353 3.907,1354 3.17,1355 21.517,1356 36,1357 22,1358 0.345,1359 101.86,1360 175.74,1361 240.299,1362 4686,1364 11.121,1365 0.695,1366 0.511,1367 11.121,1368 8.175,1369 7.788,1370 0.433,1371 0.266,1372 4.723,1373 7.526,1374 4.647,1375 3.823,1376 7.788,1377 4.783,1378 6.943,1379 0.267,1380 0.133,1381 6.943,1382 3.457,1383 6.48,1384 0.171,1385 0.067,1386 6.48,1387 2.535,1388 5.525,1389 0.106,1390 0.035,1391 5.525,1392 1.799,1393 4.732,1394 0.069,1395 0.018,1396 4.732,1397 1.247,1398 0.489,1399 48.789,1400 0.287,1401 15.36,1402 1.12,1403 88,1404 302.761,1405 95.649,1406 292.379,1407 395.6,1408 272,1409 108,1410 286.202,1411 116.786,1412 290.089,1413 430.99,1414 274,1415 4}
{0 CHEMBL235548,1 1.275,2 12.111,3 3.994,4 15.955,5 147.59,6 5.722,8 4.514,9 4.66,10 3.854,11 4.032,12 5.341,13 3.952,14 5.188,15 5.405,16 4.336,17 4.564,18 5.885,19 4.462,20 5.609,21 5.824,22 4.626,23 4.935,24 6.364,25 4.808,26 5.953,27 6.218,28 4.655,29 5.106,30 6.685,31 4.927,32 6.068,33 6.37,34 4.578,35 5.083,36 6.792,37 4.882,38 5.961,39 6.264,40 4.38,41 4.96,42 6.706,43 4.739,44 5.803,45 6.12,46 4.266,47 4.81,48 6.475,49 4.592,50 5.637,51 5.927,52 4.138,53 4.685,54 6.381,55 4.471,56 0.113,57 1.237,58 22.593,59 9.271,60 13.492,61 13.422,62 0.295,63 2.193,64 42.494,65 16.688,66 20.927,67 24.459,68 0.422,69 3.235,70 64.499,71 25.169,72 44.634,73 36.88,74 0.691,75 4.078,76 87.365,77 32.281,78 77.424,79 48.255,80 0.87,81 4.086,82 95.003,83 33.686,84 105.036,85 50.339,86 0.941,87 3.617,88 84.841,89 30.532,90 123.214,91 45.373,92 0.573,93 3.088,94 71.112,95 26.492,96 76.898,97 39.283,98 0.621,99 2.736,100 61.974,101 22.537,102 80.785,103 33.651,104 109,105 65,106 0.194,107 0.44,108 0.728,109 0.849,110 0.874,111 0.874,112 3.617,113 1.106,114 -5.69,115 -5.56,116 -5.19,121 35.6,122 6,123 7,124 5,125 3,126 2,127 1,129 3,137 1,138 1,158 1,160 1,176 21,180 7,183 1,185 4,187 33,192 9,197 6,200 36,206 12,209 1,211 9,214 29,219 9,224 5,227 28,231 1,232 7,235 1,237 4,239 26,244 4,249 3,251 22,255 1,256 6,259 1,261 6,264 14,269 4,274 4,277 9,281 2004,282 23.221,283 23.221,284 23.221,285 23.221,286 23.221,287 22.624,288 31.099,289 12.503,290 23.441,291 19.506,292 19.506,293 19.506,294 19.506,295 19.506,296 18.478,297 46.039,298 5.67,299 19.854,300 5.168,301 3.562,302 1.673,303 0.877,304 0.713,305 0.713,306 4.309,312 1,313 940,314 4.848,317 53.94,318 178.638,319 57.302,321 89.391,322 103.944,323 192.647,325 1.802,326 37.585,329 0.75,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.94,337 75.5,338 436,339 4.997,340 4.086,341 8.709,342 4.991,343 3.992,344 4.009,345 2.178,346 17.648,347 3.987,348 4.657,349 3.753,350 7.869,351 4.608,352 3.616,353 3.753,354 1.408,355 14.628,356 3.59,357 4.071,358 3.618,359 7.037,360 3.998,361 3.008,362 3.255,363 0.8,364 11.42,365 2.983,366 3.964,367 3.245,368 6.351,369 3.728,370 2.76,371 3.086,372 0.68,373 9.214,374 2.682,375 3.779,376 3.049,377 6.096,378 3.651,379 2.661,380 2.846,381 0.269,382 8.639,383 2.63,384 3.61,385 2.803,386 6.013,387 3.401,388 2.405,389 2.756,391 8.053,392 2.39,393 3.433,394 2.571,395 5.89,396 3.309,397 2.316,398 2.443,400 7.807,401 2.291,402 3.09,403 2.379,404 5.369,405 3.026,406 2.083,407 2.09,409 6.088,410 1.953,411 3.007,412 2.174,413 5.13,414 2.905,415 1.925,416 2.007,418 5.638,419 1.885,420 2.643,421 1.871,422 4.873,423 2.525,424 1.529,425 1.614,427 4.504,428 1.519,429 2.543,430 1.685,431 4.339,432 2.398,433 1.445,434 1.515,436 3.629,437 1.374,438 2.403,439 1.566,440 4.156,441 2.287,442 1.283,443 1.368,445 3.516,446 1.283,447 2.007,448 1.284,449 3.951,450 1.904,451 0.938,452 0.962,454 2.305,455 0.901,456 1.95,457 1.201,458 3.839,459 1.79,460 0.821,461 0.889,463 2.102,464 0.793,465 1.377,466 0.644,467 3.446,468 1.285,469 0.301,470 0.306,472 0.604,473 0.296,474 17.367,475 0.482,476 1.475,477 0.041,478 26.25,479 0.729,480 4,481 0.111,482 22.25,483 0.618,484 66.362,485 1.843,486 43.233,487 0.497,488 16.727,489 0.465,490 3.154,491 0.088,492 13.715,493 0.381,494 0.269,495 0.086,496 0.34,501 0.84,502 1.441,503 1.087,504 1.297,505 0.815,506 1.225,507 0.824,508 1.037,509 0.933,510 0.989,511 0.631,512 0.966,513 1.013,514 1.286,515 1.139,516 1.234,517 0.991,518 1.203,519 0.957,520 1.214,521 1.153,522 1.219,523 0.88,524 1.201,525 1.291,526 0.938,527 1.005,528 0.952,529 1.325,530 0.956,531 1.226,532 0.948,533 1.052,534 0.981,535 1.393,536 1.004,537 0.921,538 0.882,539 0.87,540 0.897,541 1.055,542 0.885,543 1.085,544 1.129,545 1.098,546 1.113,547 1.333,548 1.115,549 11,550 0.355,551 8.667,552 5.736,553 4.178,554 2.442,555 1.472,556 1.023,557 0.554,558 0.49,559 16405,560 26482,561 2.001,562 58.6,563 25,564 12,567 2,568 4,569 7,570 1,572 1.778,573 1.778,574 3.493,575 0.066,582 110.907,583 1.275,584 2.881,585 4.77,586 5.566,587 5.73,588 5.73,589 3.04,590 4.517,591 5.136,592 3.653,593 2301.25,594 9.054,595 33354.3,600 560.536,601 1.863,602 5.034,603 0.275,604 0.012,605 0.133,606 0.069,607 0.054,608 0.034,609 0.026,610 0.019,611 0.013,612 0.014,613 0.649,614 0.17,615 0.63,616 1.12,617 190.76,618 -0.006,619 -0.051,620 0.062,621 0.03,622 -0.083,623 0.047,624 0.021,625 0.2,626 0.149,627 0.184,628 0.007,629 0.18,630 -0.058,631 -0.077,632 -0.058,633 -0.061,634 -0.057,635 -0.06,636 -0.02,637 -0.125,638 -0.127,639 -0.162,640 0.001,641 -0.153,642 -0.064,643 0.016,644 -0.006,645 0.009,646 -0.037,647 0.008,648 -0.009,649 -0.008,650 -0.061,651 -0.019,652 -0.003,653 -0.042,654 0.008,655 0.037,656 0.083,657 0.065,658 0.006,659 0.078,660 0.008,661 -0.144,662 -0.1,663 -0.114,664 -0.03,665 -0.121,666 1.675,667 6.947,668 0.611,669 36.241,670 0.979,671 1.137,672 4.465,673 19.936,674 0.611,675 3.714,676 4.19,677 4.585,678 4.92,679 5.226,680 5.442,681 5.673,682 5.892,683 6.082,684 6.295,685 6.769,686 0.553,687 497.85,688 3.714,689 5.352,690 6.282,691 7.248,692 8.202,693 9.173,694 10.137,695 11.111,696 12.081,697 13.057,698 3.4,700 1,701 1,707 1,741 87,743 3,745 40,747 91,748 31,756 5,757 15,763 6,764 3,766 3,767 8,768 4,770 10,772 4,773 27,774 5,777 3,782 1,784 1,785 1,786 3,793 51,794 5,795 2,796 5,802 3,804 1,808 0.2,809 2,811 1,828 1,829 3,830 1,832 1,833 1,834 2,841 1,849 1,850 1,853 1,855 1,857 1,859 1,864 8,868 36,875 1,876 8,877 1,880 8,881 1,882 3,893 2.3,894 1,896 1,901 20.25,902 17.517,903 7.549,904 5.9,907 0.791,908 1.086,909 0.885,910 6.663,911 9.939,912 3.784,913 4.304,914 4.736,915 5.13,916 5.509,917 5.768,918 6.05,919 6.33,920 6.59,921 6.827,922 1,923 83,924 13.635,926 6.146,927 0.026,929 7.442,931 27.534,933 25.563,936 1.942,937 69.917,941 576.784,942 109.715,943 37.921,945 67.828,948 109.715,949 644.612,950 37.921,951 69.744,952 19.847,953 70.17,954 32.606,955 23.095,957 576.784,959 576.784,960 147.635,961 67.828,964 482.615,965 119.314,966 42.683,968 110.719,969 27.44,970 9.476,972 576.784,973 105.749,974 109.715,977 576.784,978 30.494,979 82.345,980 18.011,981 84.614,982 576.784,983 105.749,984 109.715,986 0.62,987 0.394,988 0.207,989 0.115,990 36,991 18,992 0.044,993 4,994 4,995 1.364,996 4.099,997 398.129,998 0.364,999 22,1000 182.117,1005 26.576,1006 9.026,1007 3.774,1009 105.749,1017 60.694,1018 792.247,1019 43,1024 13.947,1026 2.479,1027 5.264,1028 3.179,1031 85.166,1032 98.879,1034 0.198,1035 0.447,1036 0.74,1037 0.864,1038 0.889,1039 0.889,1040 5.193,1041 2.083,1042 6.395,1043 7.807,1044 4.875,1045 4.99,1046 2.629,1047 7.442,1048 4.847,1049 6.43,1050 1.925,1051 8.127,1052 6.088,1053 4.977,1054 5.094,1055 2.252,1056 9.081,1057 4.949,1058 7.813,1059 1.529,1060 9.981,1061 5.638,1062 6.779,1063 6.987,1064 3.552,1065 12.283,1066 6.739,1067 9.228,1068 1.445,1069 11.912,1070 4.504,1071 7.66,1072 7.832,1073 3.85,1074 14.739,1075 7.626,1076 10.681,1077 1.283,1078 13.895,1079 3.629,1080 9.089,1081 9.332,1082 4.858,1083 17.642,1084 9.049,1085 12.16,1086 0.938,1087 15.916,1088 3.516,1089 10.267,1090 10.47,1091 5.424,1092 20.364,1093 10.231,1094 13.661,1095 0.821,1096 17.965,1097 2.305,1098 11.615,1099 11.857,1100 6.311,1101 23.214,1102 11.577,1103 3.992,1104 0.301,1105 20.036,1106 2.102,1107 12.902,1108 13.116,1109 6.992,1110 26.02,1111 12.867,1112 3.616,1113 17.648,1114 22.123,1115 0.604,1116 14.243,1117 14.474,1118 7.823,1119 28.866,1120 14.207,1121 3.008,1122 14.628,1123 24.224,1124 4.009,1125 15.573,1126 15.788,1127 8.556,1128 31.703,1129 15.538,1130 2.76,1131 11.42,1132 26.335,1133 3.753,1134 16.922,1135 17.143,1136 9.36,1137 34.554,1138 16.886,1139 2.661,1140 9.214,1141 28.455,1142 3.255,1143 18.271,1144 18.483,1145 10.117,1146 37.405,1147 18.235,1148 2.405,1149 8.639,1150 30.581,1151 3.086,1152 19.627,1153 19.841,1154 10.908,1155 40.261,1156 19.591,1157 2.316,1158 8.053,1159 32.713,1160 2.846,1161 20.986,1162 21.195,1163 11.676,1164 43.119,1165 20.949,1166 15855,1167 20176,1168 24.967,1169 53.2,1170 63.157,1171 64.544,1172 68.729,1173 62.52,1174 62.503,1175 66.157,1176 10.671,1177 212.371,1178 61.451,1179 5.997,1180 6.072,1181 8.253,1182 6.062,1183 5.992,1184 6.54,1185 3.677,1186 27.457,1187 5.987,1188 24.942,1189 1.579,1190 1.614,1191 1.718,1192 1.563,1193 1.563,1194 1.654,1195 0.267,1196 5.309,1197 1.536,1198 4.136,1199 4.172,1200 4.054,1201 4.056,1202 7.426,1203 4.05,1204 3.98,1205 4.023,1206 3.902,1207 3.887,1208 6.449,1209 3.884,1210 3.769,1211 3.827,1212 3.659,1213 3.638,1214 4.745,1215 3.635,1216 3.665,1217 3.733,1218 3.533,1219 3.524,1220 4.456,1221 3.516,1222 3.539,1223 3.608,1224 3.395,1225 3.371,1226 4.356,1227 3.366,1228 3.446,1229 3.504,1230 3.297,1231 3.302,1232 4.243,1233 3.29,1234 3.384,1235 3.446,1236 3.237,1237 3.225,1238 4.088,1239 3.221,1240 3.248,1241 3.339,1242 3.053,1243 3.07,1244 3.933,1245 3.054,1246 0.125,1247 0.102,1248 0.218,1249 0.125,1250 0.1,1251 4.997,1252 0.1,1253 4.086,1254 0.054,1255 8.709,1256 0.441,1257 4.991,1258 0.1,1259 3.992,1260 4.009,1261 2.178,1262 17.648,1263 3.987,1264 1.993,1265 1.957,1266 2.134,1267 2.114,1268 1.573,1269 2.123,1270 1.965,1271 1.932,1272 2.115,1273 2.072,1274 1.53,1275 2.088,1276 1.757,1277 1.705,1278 1.968,1279 1.939,1280 1.337,1281 1.951,1282 1.732,1283 1.675,1284 1.963,1285 1.887,1286 1.247,1287 1.917,1288 1.515,1289 1.46,1290 1.762,1291 1.71,1292 1.085,1293 1.728,1294 1.481,1295 1.408,1296 1.753,1297 1.674,1298 1.044,1299 1.704,1300 1.44,1301 1.368,1302 1.717,1303 1.645,1304 0.934,1305 1.676,1306 1.302,1307 1.237,1308 1.605,1309 1.512,1310 0.845,1311 1.541,1312 4.394,1314 5.832,1315 2.398,1316 7.477,1317 5.13,1318 9.226,1319 7.516,1320 11.033,1322 18.194,1327 11.436,1328 7.703,1329 3.738,1332 1.805,1333 2.235,1334 -0.063,1340 48.137,1341 110.907,1342 250.683,1343 414.948,1344 484.232,1345 498.497,1346 498.497,1347 99.619,1348 9.148,1349 64.93,1350 64.93,1351 30,1352 13.531,1353 2,1354 2,1355 54.353,1356 149,1357 176,1358 0.189,1359 290.759,1360 525.72,1361 701.213,1362 123803,1364 26.206,1365 0.728,1366 0.67,1367 26.206,1368 24.103,1369 16.869,1370 0.422,1371 0.369,1372 14.641,1373 16.493,1374 13.916,1375 11.554,1376 16.869,1377 14.747,1378 16.977,1379 0.261,1380 0.219,1381 16.977,1382 14.24,1383 15.518,1384 0.16,1385 0.129,1386 15.518,1387 12.536,1388 13.064,1389 0.096,1390 0.071,1391 13.064,1392 9.709,1393 10.875,1394 0.059,1395 0.041,1396 10.875,1397 7.545,1398 0.289,1399 103.974,1400 0.2,1401 31.885,1402 0.545,1403 210,1404 373.508,1405 219.786,1406 367.154,1407 510.62,1408 344,1409 267,1410 379.825,1411 277.814,1412 393.293,1413 586.52,1414 368,1415 5.417}
{0 CHEMBL235751,1 1.67,2 12.24,3 4.989,4 24.892,5 94.64,6 8.87,7 0.667,8 3.803,9 3.887,10 3.518,11 3.379,12 5.027,13 3.381,14 4.261,15 4.383,16 3.872,17 3.7,18 5.543,19 3.689,20 4.461,21 4.609,22 3.886,23 3.755,24 5.666,25 3.733,26 4.433,27 4.592,28 3.686,29 3.628,30 5.663,31 3.605,32 4.362,33 4.54,34 3.677,35 3.599,36 5.631,37 3.571,38 4.311,39 4.494,40 3.512,41 3.61,42 5.452,43 3.535,44 4.258,45 4.47,46 3.467,47 3.556,48 5.343,49 3.436,50 4.113,51 4.325,52 3.354,53 3.377,54 5.148,55 3.271,56 0.068,57 0.52,58 5.574,59 3.386,60 5.344,61 3.749,62 0.371,63 0.81,64 11.271,65 5.271,66 20.951,67 6.049,68 0.381,69 0.925,70 18.594,71 6.944,72 29.827,73 7.521,74 0.476,75 0.888,76 17.889,77 6.648,78 43.213,79 6.697,80 0.508,81 0.86,82 16.585,83 6.223,84 44.719,85 6.996,86 0.309,87 0.82,88 14.58,89 6.253,90 35.84,91 7.273,92 0.376,93 0.753,94 15.772,95 6.591,96 32.752,97 8.639,98 0.216,99 0.631,100 16.229,101 5.819,102 21.86,103 7.361,104 10,105 36,106 0.293,107 0.54,108 0.672,109 0.795,110 0.825,111 0.843,112 3.266,113 0.877,114 -4.76,115 -4.67,116 -4.39,121 47.5,126 1,144 11,146 4,147 1,149 1,161 1,176 7,179 4,180 8,187 7,192 9,200 5,206 11,214 2,218 1,219 11,227 4,232 2,239 6,243 3,244 1,251 10,256 1,264 8,268 2,269 4,277 2,281 925,282 16.861,283 16.861,284 16.861,285 16.861,286 16.861,287 14.505,288 18.614,289 10.135,290 17.399,291 13.317,292 13.317,293 13.317,294 13.317,295 13.317,296 9.887,297 22.395,298 4.865,299 14.265,300 3.652,301 2.246,302 1.489,303 0.788,304 0.619,305 0.519,306 3.949,308 1,311 1,312 1,313 653,314 3.24,318 282.981,325 2.07,326 23.674,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 54.333,338 306,339 4.2,340 3.801,341 6.339,342 3.887,343 2.95,344 3.718,345 2.208,346 9.428,347 2.758,348 4.093,349 3.103,350 5.634,351 3.661,352 2.735,353 3.614,354 0.86,355 7.829,356 2.54,357 3.945,358 2.883,359 5.42,360 3.468,361 2.537,362 3.538,363 0.655,364 7.161,365 2.33,366 3.632,367 2.769,368 5.139,369 3.196,370 2.276,371 2.962,372 0.13,373 6.336,374 2.099,375 3.435,376 2.571,377 4.921,378 2.98,379 2.039,380 2.725,382 5.56,383 1.881,384 3.234,385 2.184,386 4.765,387 2.769,388 1.849,389 2.494,391 5.223,392 1.622,393 2.875,394 1.73,395 3.773,396 2.404,397 1.414,398 2.001,400 3.14,401 1.39,402 2.5,403 1.049,404 3.414,405 2,406 1,407 1.5,409 2.275,410 1,411 2.5,412 1,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.5,421 1,422 3.287,423 1.959,424 1,425 1.5,427 2.136,428 0.956,429 1.948,430 1,431 3.247,432 1.62,433 0.677,434 0.806,436 1.644,437 0.63,438 1.587,439 0.937,440 2.941,441 1.184,442 0.299,443 0.364,445 0.716,446 0.249,447 1.225,448 0.647,449 2.504,450 0.763,451 -0.122,452 -0.153,454 -0.275,455 -0.096,456 0.762,457 0.148,458 2,459 0.305,460 -0.576,461 -0.714,463 -1.475,464 -0.45,465 0.649,466 -0.354,467 2,468 0.225,469 -0.751,470 -0.964,472 -1.609,473 -0.727,474 12.014,475 0.481,476 0.558,477 0.022,478 37.25,479 1.49,480 21,481 0.84,482 16.25,483 0.65,484 15.212,485 0.608,486 25.786,487 0.645,488 26.373,489 1.055,490 7.686,491 0.307,492 4.428,493 0.177,494 0.129,496 0.283,501 0.756,502 1.297,503 0.565,504 1,505 0.624,506 0.869,507 0.694,508 1.034,509 0.68,510 0.9,511 0.528,512 0.883,513 1.29,514 1.141,515 1.036,516 1.116,517 0.908,518 1.027,519 1.703,520 1.057,521 1.018,522 0.969,523 1.633,524 1.005,525 1.07,526 0.915,527 0.711,528 0.86,529 1.545,530 0.88,531 1.033,532 0.975,533 0.825,534 0.964,535 1.436,536 1.058,537 0.408,538 0.854,539 0.732,540 0.928,541 0.537,542 1.021,543 0.787,544 1.021,545 1.073,546 1.1,547 0.62,548 1.041,549 5,550 0.103,551 2.444,552 1.313,553 1.236,554 0.535,555 0.504,556 0.233,557 0.156,558 0.164,559 8069,560 26347,561 2.062,562 37.5,564 14,566 1,572 1.673,573 1.948,574 3.578,575 -0.751,582 66.808,583 1.67,584 3.076,585 3.833,586 4.534,587 4.703,588 4.803,589 3.113,590 4.054,591 4.614,592 3.735,593 1120.45,594 7.941,595 14294.2,597 1,600 212.877,601 1.323,602 4.583,603 0.185,604 0.007,605 0.068,606 0.038,607 0.043,608 0.018,609 0.02,610 0.011,611 0.008,612 0.01,613 0.408,614 0.33,615 1,616 0.553,617 123.734,618 -0.038,619 -0.242,620 0.03,621 -0.121,622 -0.089,623 -0.042,624 0.244,625 0.04,626 0.05,627 -0.01,628 0.167,629 -0.031,630 -0.148,631 -0.153,632 -0.095,633 -0.168,634 -0.032,635 -0.113,636 -0.339,637 -0.081,638 -0.179,639 -0.034,640 -0.231,641 -0.098,642 0.039,643 0.088,644 0.048,645 0.069,646 -0.043,647 0.061,648 -0.151,649 0.001,650 -0.089,651 -0.018,652 -0.225,653 -0.084,654 0.302,655 0.06,656 0.147,657 0.082,658 0.17,659 0.051,660 0.018,661 -0.128,662 0.069,663 -0.054,664 0.056,665 0.046,666 2.14,667 5.171,668 0.72,669 25.44,670 1.017,671 1.112,672 3.526,673 12.43,674 0.714,675 3.332,676 3.611,677 3.807,678 3.97,679 4.174,680 4.043,681 4.143,682 4.205,683 4.205,684 4.29,685 7.078,686 0.693,687 354.81,688 3.332,689 4.844,690 5.659,691 6.5,692 7.328,693 8.169,694 9.003,695 9.844,696 10.68,697 11.521,698 5,705 1,708 1,715 12,716 1,720 5,722 18,737 1,739 1,740 1,741 40,743 19,744 2,745 27,747 42,748 19,749 17,750 3,751 9,756 3,757 3,758 1,772 18,773 1,777 1,782 1,786 1,793 15,794 5,796 6,797 1,802 2,808 1,809 3,822 1,829 3,859 3,864 1,865 1,868 25,878 2,881 1,892 1,893 7.5,896 1,898 2,901 12.833,902 7.543,903 5.556,904 2.188,907 3.001,908 1.435,909 0.97,910 5.535,911 9.891,912 3.638,913 4.197,914 4.684,915 5.178,916 5.699,917 5.604,918 5.924,919 6.265,920 6.488,921 6.853,922 1,923 35,924 9.158,926 3.777,927 0.026,929 7.864,931 17.065,933 13.211,936 2.364,937 59.111,940 1,941 176.567,942 150.004,943 19.91,944 39.149,945 47.145,948 150.004,949 262.86,950 19.91,951 8.396,952 3.124,953 104.239,954 53.702,955 47.791,956 11.577,957 164.795,958 39.149,959 176.567,960 169.914,961 47.145,962 39.149,964 176.567,965 47.145,968 12.172,969 140.956,970 55.934,972 176.567,973 67.055,974 189.152,977 176.567,978 28.321,979 124.807,981 103.079,982 176.567,983 67.055,984 189.152,986 0.575,987 0.326,988 0.163,989 0.092,990 16,991 7,992 0.119,993 5,995 1,996 3.85,997 191.542,999 18,1000 108.096,1005 17.271,1006 8.011,1007 4.719,1009 67.055,1010 20.835,1011 4.055,1015 2.714,1018 432.774,1019 37,1024 12.171,1028 -0.473,1031 40.694,1032 44.475,1034 0.314,1035 0.578,1036 0.72,1037 0.852,1038 0.884,1039 0.903,1040 4.832,1041 1,1042 5.617,1043 3.14,1044 4.29,1045 4.883,1046 2.456,1047 6.34,1048 4.156,1049 6.018,1050 1,1051 7.125,1052 2.275,1053 3.761,1054 4.46,1055 1.847,1056 7.045,1057 3.474,1058 7.292,1059 1,1060 8.728,1061 2.275,1062 5.808,1063 6.981,1064 3.559,1065 10.086,1066 5.533,1067 8.595,1068 0.677,1069 10.386,1070 2.136,1071 6.066,1072 7.286,1073 3.656,1074 11.591,1075 5.634,1076 9.924,1077 0.299,1078 12.079,1079 1.644,1080 7.573,1081 9.298,1082 4.961,1083 14.138,1084 7.157,1085 11.27,1086 -0.122,1087 13.797,1088 0.716,1089 8.208,1090 9.961,1091 5.37,1092 16.003,1093 7.648,1094 12.629,1095 -0.576,1096 15.534,1097 -0.275,1098 9.474,1099 11.719,1100 6.459,1101 18.364,1102 8.916,1103 2.95,1104 -0.751,1105 17.285,1106 -1.475,1107 10.306,1108 12.593,1109 7.028,1110 20.409,1111 9.623,1112 2.735,1113 9.428,1114 19.049,1115 -1.609,1116 11.458,1117 14.198,1118 7.994,1119 22.695,1120 10.759,1121 2.537,1122 7.829,1123 20.823,1124 3.718,1125 12.396,1126 15.209,1127 8.654,1128 24.832,1129 11.589,1130 2.276,1131 7.161,1132 22.605,1133 3.614,1134 13.494,1135 16.714,1136 9.549,1137 27.087,1138 12.656,1139 2.039,1140 6.336,1141 24.396,1142 3.538,1143 14.49,1144 17.816,1145 10.263,1146 29.272,1147 13.557,1148 1.849,1149 5.56,1150 26.194,1151 2.962,1152 15.564,1153 19.253,1154 11.116,1155 31.516,1156 14.588,1157 1.414,1158 5.223,1159 27.997,1160 2.725,1161 16.591,1162 20.418,1163 11.862,1164 33.727,1165 15.531,1166 7770,1167 14216,1168 18.087,1169 28.563,1170 40.011,1171 41.065,1172 40.588,1173 39.771,1174 39.55,1175 53.446,1176 7.706,1177 107.446,1178 36.911,1179 5.071,1180 5.801,1181 6.141,1182 4.988,1183 4.95,1184 6.718,1185 3.912,1186 16.152,1187 4.758,1188 11.139,1189 1.482,1190 1.521,1191 1.503,1192 1.473,1193 1.465,1194 1.979,1195 0.285,1196 3.979,1197 1.367,1198 3.962,1199 3.985,1200 3.992,1201 3.858,1202 7.433,1203 3.864,1204 3.891,1205 3.92,1206 3.875,1207 3.809,1208 5.078,1209 3.809,1210 3.802,1211 3.83,1212 3.803,1213 3.717,1214 4.847,1215 3.717,1216 3.465,1217 3.509,1218 3.415,1219 3.201,1220 4.755,1221 3.241,1222 3.072,1223 3.087,1224 3.298,1225 2.866,1226 4.548,1227 2.886,1228 2.904,1229 2.926,1230 2.895,1231 2.735,1232 4.227,1233 2.715,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 4.005,1239 2.715,1240 2.854,1241 2.925,1242 2.687,1243 2.706,1244 3.803,1245 2.711,1246 0.156,1247 0.141,1248 0.235,1249 0.144,1250 0.109,1251 4.2,1252 0.138,1253 3.801,1254 0.082,1255 6.339,1256 0.349,1257 3.887,1258 0.102,1259 2.95,1260 3.718,1261 2.208,1262 9.428,1263 2.758,1264 1.899,1265 1.873,1266 2.017,1267 2.021,1268 1.083,1269 2.015,1270 1.872,1271 1.849,1272 1.972,1273 1.982,1274 1.041,1275 1.981,1276 1.769,1277 1.743,1278 1.852,1279 1.882,1280 0.9,1281 1.883,1282 1.362,1283 1.304,1284 1.635,1285 1.639,1286 0.682,1287 1.633,1288 0.953,1289 0.94,1290 1.181,1291 1.255,1292 0.218,1293 1.211,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 0.886,1301 0.821,1302 1.118,1303 1.062,1304 0.169,1305 1.107,1306 0.83,1307 0.788,1308 1.076,1309 1.048,1310 0.135,1311 1.054,1312 4.007,1314 5.293,1316 6.77,1318 8.321,1320 9.908,1322 1.654,1323 5.783,1330 10.939,1333 1.433,1340 27.702,1341 66.808,1342 123.049,1343 153.314,1344 181.367,1345 188.122,1346 192.122,1347 36.86,1348 6.891,1349 51.66,1350 51.66,1351 18,1352 12.086,1353 4.322,1354 3.459,1355 42.133,1356 107,1357 103,1358 0.191,1359 175.481,1360 304.66,1361 419.934,1362 9083,1363 2.5,1364 17.648,1365 0.706,1366 0.567,1367 18.148,1368 14.181,1369 12.114,1370 0.449,1371 0.292,1372 7.432,1373 11.332,1374 7.222,1375 6.027,1376 12.403,1377 7.895,1378 10.719,1379 0.298,1380 0.155,1381 11.127,1382 5.587,1383 8.765,1384 0.199,1385 0.082,1386 9.053,1387 3.592,1388 6.604,1389 0.127,1390 0.041,1391 6.771,1392 2.157,1393 5.479,1394 0.086,1395 0.022,1396 5.715,1397 1.423,1398 0.309,1399 79.147,1400 0.235,1401 24.953,1402 0.496,1403 126,1404 432.7,1405 156.726,1406 441.936,1407 591.19,1408 412,1409 143,1410 415.678,1411 167.546,1412 425.667,1413 616.07,1414 399,1415 4.301}
{0 CHEMBL235759,1 1.775,2 11.962,3 4.622,4 21.361,5 89.835,6 8.186,7 0.444,8 3.906,9 4.009,10 3.522,11 3.353,12 5.134,13 3.378,14 4.457,15 4.623,16 3.998,17 3.683,18 6.15,19 3.717,20 4.63,21 4.788,22 3.945,23 3.827,24 5.924,25 3.833,26 4.855,27 5.089,28 3.857,29 3.768,30 6.197,31 3.741,32 4.645,33 4.886,34 3.598,35 3.586,36 5.876,37 3.561,38 4.233,39 4.386,40 3.552,41 3.568,42 5.581,43 3.512,44 4.376,45 4.588,46 3.428,47 3.612,48 5.481,49 3.495,50 4.417,51 4.683,52 3.387,53 3.409,54 5.55,55 3.325,56 0.194,57 0.811,58 7.701,59 4.296,60 23.689,61 4.814,62 1.085,63 1.542,64 18.125,65 6.53,66 152.19,67 7.898,68 0.64,69 1.367,70 19.67,71 7.776,72 41.077,73 9.084,74 1.3,75 1.389,76 32.493,77 9.284,78 141.623,79 11.842,80 1.204,81 1.031,82 27.876,83 7.137,84 150.12,85 9.111,86 0.647,87 0.858,88 13.059,89 5.863,90 53.459,91 7.29,92 0.479,93 0.973,94 16.487,95 7.406,96 40.046,97 9.824,98 0.53,99 0.98,100 20.437,101 6.959,102 52.655,103 9.572,104 72,105 40,106 0.31,107 0.603,108 0.694,109 0.731,110 0.746,111 0.762,112 3.303,113 0.859,114 -4.87,115 -4.78,116 -4.48,121 40,122 3,126 1,132 1,134 1,144 6,145 1,146 2,147 1,149 1,161 1,176 4,179 4,180 10,187 6,192 6,200 2,206 13,214 2,218 1,219 6,227 4,239 10,243 3,244 1,251 8,256 1,268 2,269 6,281 1000,282 16.029,283 16.029,284 16.029,285 16.029,286 16.029,287 14.49,288 23.049,289 9.046,290 16.684,291 13.275,292 13.275,293 13.275,294 13.275,295 13.275,296 10.925,297 32.676,298 4.293,299 14.426,300 3.717,301 2.038,302 1.518,303 1.307,304 1.218,305 1.129,306 3.956,311 1,312 1,313 627,314 4.69,318 201.41,325 2.121,326 45.551,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 60.5,338 311,339 4.44,340 4.46,341 7.17,342 4.294,343 3.341,344 3.846,345 3.825,346 11.764,347 3.183,348 4.381,349 3.88,350 7.111,351 4.168,352 3.314,353 3.661,354 2.208,355 11.657,356 2.856,357 4.074,358 3.193,359 5.648,360 3.661,361 2.728,362 3.426,363 0.86,364 7.844,365 2.546,366 3.817,367 3.065,368 5.509,369 3.418,370 2.506,371 3.164,372 0.655,373 7.347,374 2.257,375 3.545,376 2.65,377 5.171,378 3.163,379 2.211,380 2.779,381 0.13,382 6.274,383 2.079,384 3.266,385 2.315,386 4.931,387 2.87,388 1.917,389 2.433,391 5.618,392 1.806,393 2.899,394 1.91,395 4.555,396 2.466,397 1.558,398 2.011,400 4.599,401 1.375,402 2.5,403 1.364,404 3.668,405 2,406 1,407 1.5,409 2.275,410 1,411 2.5,412 1,413 3.414,414 1.959,415 1,416 1.5,418 2.275,419 0.956,420 1.883,421 1,422 3.414,423 1.668,424 0.734,425 0.796,427 1.856,428 0.675,429 1.539,430 0.898,431 3.04,432 1.152,433 0.235,434 0.288,436 0.587,437 0.212,438 1.127,439 0.51,440 2.731,441 0.709,442 -0.227,443 -0.288,445 -0.559,446 -0.209,447 0.698,448 0.51,449 2.554,450 0.26,451 -0.688,452 -0.881,454 -1.735,455 -0.639,456 0.5,457 0.435,458 2,460 -1,461 -1,463 -2.78,464 -0.7,465 0.5,466 -0.099,467 2,469 -1,470 -1,472 -3,473 -0.7,474 11.657,475 0.448,476 1.122,477 0.043,478 31.25,479 1.202,480 14.5,481 0.558,482 16.75,483 0.644,484 21.801,485 0.838,486 30.343,487 0.674,488 26.211,489 1.008,490 6.375,491 0.245,492 5.589,493 0.215,494 0.274,495 0.086,496 0.249,498 3,501 0.643,502 1.138,503 0.66,504 1.292,505 0.614,506 1.073,507 0.459,508 0.721,509 0.55,510 0.865,511 0.344,512 0.778,513 0.894,514 1.02,515 1.007,516 1.278,517 0.589,518 1.21,519 1.042,520 0.794,521 0.988,522 0.939,523 0.948,524 0.95,525 1.14,526 0.527,527 0.975,528 0.462,529 1.138,530 0.599,531 0.342,532 0.685,533 0.911,534 1.124,535 0.439,536 1.24,537 0.26,538 0.813,539 0.848,540 1.315,541 0.317,542 1.366,543 0.558,544 0.976,545 0.669,546 1.148,547 0.496,548 1.025,549 9,550 0.215,551 3.778,552 1.875,553 1.244,554 0.875,555 0.607,556 0.439,557 0.308,558 0.2,559 8015,560 30304,561 1.872,562 42.2,564 9,566 1,569 9,572 1.682,573 1.677,574 3.508,575 -0.684,582 79.854,583 1.775,584 3.454,585 3.974,586 4.185,587 4.274,588 4.363,589 2.93,590 3.921,591 4.672,592 3.767,593 1224.15,594 8.05,595 16268.6,597 1,600 247.133,601 1.826,602 4.56,603 0.333,604 0.013,605 0.094,606 0.049,607 0.039,608 0.032,609 0.023,610 0.02,611 0.015,612 0.011,613 0.631,614 0.33,615 1,616 1.531,617 130.693,618 -0.037,619 -0.17,620 0.036,621 -0.162,622 -0.104,623 -0.066,624 0.437,625 0.296,626 0.336,627 0.144,628 0.476,629 0.178,630 -0.14,631 -0.182,632 -0.18,633 -0.283,634 -0.014,635 -0.252,636 -0.071,638 0.038,639 -0.019,640 -0.031,641 0.031,642 -0.182,643 0.107,644 0.067,645 0.412,646 -0.177,647 0.368,648 0.254,649 0.133,650 -0.141,651 -0.06,652 0.088,653 -0.219,654 0.211,655 -0.099,656 -0.028,657 -0.258,658 0.086,659 -0.268,660 0.1,661 -0.263,662 0.305,663 -0.175,664 0.116,665 0.061,666 5.697,667 5.019,668 0.462,669 27.456,670 1.035,671 1.151,672 3.64,673 13.246,674 0.64,675 3.332,676 3.714,677 3.807,678 3.892,679 4.025,680 4.078,681 4.143,682 4.205,683 4.234,684 4.234,685 7.36,686 0.636,687 368.39,688 3.332,689 4.905,690 5.714,691 6.594,692 7.42,693 8.296,694 9.126,695 10,696 10.833,697 11.705,698 4.4,705 1,708 1,715 7,716 1,720 4,722 12,737 1,739 1,741 45,743 13,744 1,745 27,747 46,748 18,749 11,750 2,751 4,756 2,757 2,763 4,769 1,772 12,773 6,774 1,777 1,782 1,786 1,790 1,791 3,793 19,794 8,796 8,802 2,808 1,809 3,822 1,829 2,859 2,864 4,866 3,868 26,878 2,881 1,882 2,892 3,893 6.7,896 1,898 2,901 15.5,902 9.412,903 5.444,904 2.461,907 2.261,908 1.334,909 0.904,910 5.821,911 9.031,912 3.555,913 4.127,914 4.527,915 4.975,916 5.464,917 5.568,918 5.883,919 6.195,920 6.465,921 6.769,922 0.875,923 38,924 10.019,926 4.604,927 0.026,929 8.417,931 17.232,933 13.357,936 2.917,937 75.833,940 1,941 223.651,942 133.786,943 19.91,945 47.145,946 44.88,948 133.786,949 270.796,950 64.79,951 34.872,952 3.124,953 56.857,954 53.702,955 89.6,956 11.577,957 211.88,958 7.76,959 223.651,960 153.696,961 92.025,964 117.711,965 197.965,968 46.407,969 90.503,970 16.786,972 268.531,973 67.055,974 133.786,977 231.41,978 25.25,979 103.901,981 108.811,982 223.651,983 111.935,984 133.786,986 0.611,987 0.32,988 0.134,989 0.066,990 18,991 10,992 0.109,993 5,995 1,996 3.679,997 199.346,999 12,1000 108.702,1005 20.057,1006 7.546,1007 5.626,1009 111.935,1010 8.823,1011 3.627,1015 -0.162,1018 469.372,1019 34,1024 12.019,1028 -0.504,1031 46.56,1032 51.796,1034 0.323,1035 0.629,1036 0.724,1037 0.762,1038 0.778,1039 0.794,1040 4.836,1041 1,1042 5.808,1043 4.599,1044 4.394,1045 4.812,1046 3.45,1047 6.671,1048 4.236,1049 6.09,1050 1,1051 7.432,1052 2.275,1053 4.443,1054 4.796,1055 4.006,1056 8.034,1057 4.152,1058 7.431,1059 0.734,1060 9.173,1061 2.275,1062 6.159,1063 6.933,1064 5.561,1065 10.942,1066 5.829,1067 8.801,1068 0.235,1069 10.983,1070 1.856,1071 6.909,1072 7.546,1073 6.735,1074 13.023,1075 6.45,1076 10.194,1077 -0.227,1078 12.836,1079 0.587,1080 8.256,1081 9.298,1082 8.102,1083 15.61,1084 7.748,1085 11.603,1086 -0.688,1087 14.718,1088 -0.559,1089 9.27,1090 10.19,1091 9.406,1092 17.936,1093 8.652,1094 13.025,1095 -1,1096 16.621,1097 -1.735,1098 10.506,1099 11.77,1100 10.748,1101 20.437,1102 9.829,1103 3.341,1104 -1,1105 18.539,1106 -2.78,1107 11.626,1108 12.818,1109 12.081,1110 22.848,1111 10.856,1112 3.314,1113 11.764,1114 20.469,1115 -3,1116 12.829,1117 14.302,1118 13.421,1119 25.322,1120 11.995,1121 2.728,1122 11.657,1123 22.407,1124 3.846,1125 13.994,1126 15.446,1127 14.76,1128 27.765,1129 13.079,1130 2.506,1131 7.844,1132 24.352,1133 3.661,1134 15.189,1135 16.872,1136 16.101,1137 30.23,1138 14.21,1139 2.211,1140 7.347,1141 26.302,1142 3.426,1143 16.373,1144 18.078,1145 17.442,1146 32.684,1147 15.321,1148 1.917,1149 6.274,1150 28.256,1151 3.164,1152 17.568,1153 19.468,1154 18.783,1155 35.146,1156 16.454,1157 1.558,1158 5.618,1159 30.213,1160 2.779,1161 18.76,1162 20.716,1163 20.125,1164 37.604,1165 17.58,1166 8219,1167 16333,1168 16.296,1169 28.801,1170 41.986,1171 41.715,1172 42.078,1173 41.27,1174 41.089,1175 50.807,1176 15.356,1177 124.192,1178 37.889,1179 5.324,1180 6.46,1181 6.584,1182 5.394,1183 5.341,1184 6.846,1185 5.529,1186 19.167,1187 5.183,1188 19.061,1189 1.555,1190 1.545,1191 1.558,1192 1.529,1193 1.522,1194 1.882,1195 0.569,1196 4.6,1197 1.403,1198 3.961,1199 3.984,1200 3.922,1201 3.844,1202 8.513,1203 3.856,1204 3.849,1205 3.883,1206 3.808,1207 3.736,1208 7.999,1209 3.746,1210 3.773,1211 3.827,1212 3.672,1213 3.617,1214 7.999,1215 3.619,1216 3.352,1217 3.391,1218 3.345,1219 3.065,1220 7.433,1221 3.108,1222 3.29,1223 3.34,1224 3.216,1225 2.983,1226 5.004,1227 3.035,1228 3.012,1229 3.056,1230 2.852,1231 2.748,1232 4.767,1233 2.765,1234 2.874,1235 3.009,1236 2.687,1237 2.735,1238 4.407,1239 2.715,1240 2.874,1241 3.009,1242 2.662,1243 2.618,1244 4.281,1245 2.57,1246 0.164,1247 0.165,1248 0.266,1249 0.159,1250 0.124,1251 4.44,1252 0.142,1253 4.46,1254 0.142,1255 7.17,1256 0.436,1257 4.294,1258 0.118,1259 3.341,1260 3.846,1261 3.825,1262 11.764,1263 3.183,1264 1.885,1265 1.867,1266 1.992,1267 2.022,1268 1.186,1269 2.006,1270 1.802,1271 1.773,1272 1.969,1273 1.964,1274 1.044,1275 1.962,1276 1.747,1277 1.687,1278 1.892,1279 1.904,1280 0.959,1281 1.907,1282 1.252,1283 1.188,1284 1.593,1285 1.549,1286 0.643,1287 1.558,1288 1.073,1289 1.047,1290 1.417,1291 1.424,1292 0.469,1293 1.317,1294 0.934,1295 0.865,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.934,1301 0.821,1302 1.181,1303 1.239,1304 0.22,1305 1.308,1306 0.897,1307 0.804,1308 1.163,1309 1.237,1310 0.218,1311 1.181,1312 4.007,1314 5.371,1316 6.899,1318 8.491,1320 10.114,1322 7.267,1324 37.499,1330 10.63,1333 1.462,1334 -4.828,1340 28.605,1341 79.854,1342 155.443,1343 178.83,1344 188.339,1345 192.339,1346 196.339,1347 74.577,1348 6.77,1349 51.66,1350 51.66,1351 12,1352 12.255,1353 3.807,1354 3,1355 55.565,1356 117,1357 88,1358 0.236,1359 177.326,1360 321.54,1361 424.435,1362 7244,1363 6.7,1364 19.535,1365 0.751,1366 0.569,1367 17.035,1368 14.795,1369 11.964,1370 0.443,1371 0.286,1372 7.543,1373 11.186,1374 7.242,1375 6.087,1376 10.753,1377 7.735,1378 12.574,1379 0.314,1380 0.164,1381 10.616,1382 6.554,1383 8.629,1384 0.196,1385 0.082,1386 7.693,1387 3.595,1388 6.022,1389 0.125,1390 0.036,1391 5.323,1392 1.748,1393 4.342,1394 0.079,1395 0.019,1396 4.078,1397 1.032,1398 0.383,1399 77.3,1400 0.248,1401 25.698,1402 0.611,1403 134,1404 640.83,1405 166.557,1406 525.762,1407 676.52,1408 484,1409 151,1410 474.816,1411 175.773,1412 456.934,1413 679.46,1414 423,1415 4.301}
{0 CHEMBL235761,1 1.758,2 13.966,3 5.274,4 27.815,5 100.644,6 8.748,7 0.581,8 3.948,9 4.037,10 3.629,11 3.46,12 5.209,13 3.49,14 4.464,15 4.598,16 4.053,17 3.784,18 6.184,19 3.812,20 4.62,21 4.77,22 3.995,23 3.858,24 5.926,25 3.865,26 4.734,27 4.937,28 3.888,29 3.739,30 6.128,31 3.752,32 4.474,33 4.652,34 3.791,35 3.703,36 5.792,37 3.697,38 4.523,39 4.703,40 3.719,41 3.72,42 5.854,43 3.669,44 4.474,45 4.699,46 3.558,47 3.635,48 5.615,49 3.553,50 4.293,51 4.498,52 3.58,53 3.471,54 5.575,55 3.459,56 0.204,57 0.833,58 6.414,59 4.317,60 26.93,61 4.393,62 1.054,63 1.622,64 14.79,65 6.687,66 139.108,67 7.043,68 0.612,69 1.381,70 17.545,71 8.35,72 51.407,73 9.037,74 1.278,75 1.467,76 26.838,77 8.359,78 144.468,79 8.765,80 0.672,81 1.163,82 16.889,83 6.871,84 72.49,85 7.692,86 0.909,87 1.017,88 18.457,89 7.443,90 79.975,91 8.82,92 0.681,93 1.002,94 19.974,95 7.845,96 72.075,97 10.212,98 0.486,99 1.016,100 15.731,101 6.431,102 52.055,103 7.659,104 27,105 43,106 0.3,107 0.559,108 0.687,109 0.791,110 0.826,111 0.841,112 3.407,113 0.831,114 -5.31,115 -5.19,116 -4.85,121 45.7,126 1,127 1,134 1,144 11,145 2,146 2,147 1,149 1,161 1,176 10,179 4,180 8,187 9,192 8,200 5,206 11,214 2,218 1,219 11,227 4,232 4,239 6,243 3,244 3,251 8,256 1,264 8,268 2,269 4,277 6,281 1393,282 18.988,283 18.988,284 18.988,285 18.988,286 18.988,287 16.698,288 22.016,289 11.223,290 19.634,291 15.308,292 15.308,293 15.308,294 15.308,295 15.308,296 11.917,297 25.999,298 5.385,299 16.444,300 3.766,301 2.249,302 1.502,303 0.892,304 0.685,305 0.598,306 4.086,311 1,312 1,313 853,314 4.183,318 344.399,325 2.385,326 46.324,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 66.5,338 405,339 4.44,340 4.46,341 7.111,342 4.168,343 3.314,344 3.846,345 3.825,346 11.657,347 2.856,348 4.115,349 3.78,350 5.965,351 3.77,352 2.834,353 3.655,354 2.209,355 8.405,356 2.653,357 3.986,358 3.074,359 5.612,360 3.621,361 2.686,362 3.465,363 0.86,364 7.764,365 2.527,366 3.838,367 2.801,368 5.376,369 3.428,370 2.481,371 3.19,372 0.796,373 7.091,374 2.33,375 3.703,376 2.648,377 5.217,378 3.275,379 2.317,380 3.012,381 0.247,382 6.476,383 2.174,384 3.357,385 2.321,386 4.964,387 2.95,388 2.018,389 2.614,391 5.848,392 1.864,393 2.923,394 1.987,395 4.556,396 2.492,397 1.567,398 2.079,400 4.604,401 1.477,402 2.896,403 1.907,404 3.876,405 2.458,406 1.481,407 2.011,409 3.28,410 1.376,411 2.5,412 1.457,413 3.5,414 2.005,415 1.047,416 1.5,418 2.559,419 1,420 2.5,421 1,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1,431 3.414,432 2,433 1,434 1.5,436 2.275,437 0.986,438 2.351,439 1,440 3.247,441 1.958,442 1,443 1.257,445 2.136,446 0.956,447 1.547,448 0.906,449 3.039,450 1.168,451 0.256,452 0.313,454 0.648,455 0.23,456 1.128,457 0.51,458 2.752,459 0.768,460 -0.175,461 -0.208,463 -0.442,464 -0.162,465 1.018,466 0.51,467 2.584,468 0.694,469 -0.27,470 -0.333,472 -0.628,473 -0.258,474 13.157,475 0.454,476 0.863,477 0.03,478 39.25,479 1.353,480 20.5,481 0.707,482 18.75,483 0.647,484 19.807,485 0.683,486 31.843,487 0.692,488 32.425,489 1.118,490 8.351,491 0.288,492 5.457,493 0.188,494 0.128,495 0.038,496 0.258,498 3,501 0.636,502 1.018,503 0.61,504 1.122,505 0.596,506 0.943,507 0.492,508 0.692,509 0.699,510 0.911,511 0.379,512 0.901,513 0.839,514 1.032,515 0.903,516 1.274,517 0.592,518 1.18,519 1.319,520 0.781,521 1.178,522 0.769,523 1.184,524 0.867,525 0.822,526 0.845,527 0.946,528 0.994,529 0.851,530 1.005,531 0.55,532 0.594,533 0.978,534 1.014,535 0.588,536 1.146,537 0.452,538 0.627,539 0.771,540 0.954,541 0.468,542 1.016,543 0.764,544 0.975,545 0.697,546 1.02,547 0.661,548 0.902,549 7.5,550 0.165,551 3.111,552 1.563,553 1.556,554 0.771,555 0.567,556 0.472,557 0.198,558 0.222,559 12333,560 45723,561 2.005,562 37,564 16,566 1,572 1.711,573 1.861,574 3.736,575 -0.717,582 80.849,583 1.758,584 3.275,585 4.022,586 4.632,587 4.839,588 4.926,589 3.28,590 4.28,591 4.828,592 3.966,593 1610.11,594 8.363,595 23651.4,600 254.084,601 1.573,602 4.772,603 0.242,604 0.008,605 0.072,606 0.038,607 0.044,608 0.023,609 0.019,610 0.018,611 0.007,612 0.009,613 0.481,614 0.33,615 1,616 0.772,617 152.321,618 -0.037,619 -0.129,620 0.036,621 -0.116,622 -0.095,623 -0.039,624 0.411,625 0.327,626 0.128,627 0.055,628 0.436,629 -0.012,630 -0.077,631 -0.255,632 -0.05,633 -0.304,634 0.013,635 -0.215,636 -0.199,637 0.102,638 -0.109,639 0.158,640 -0.132,641 0.089,642 -0.057,643 -0.032,644 -0.053,645 -0.046,646 -0.073,647 -0.036,648 0.158,649 0.054,650 -0.07,651 -0.064,652 0.046,653 -0.139,654 0.165,655 -0.024,656 0.216,657 0.027,658 0.083,659 0.098,660 0.009,661 -0.18,662 0.286,663 -0.022,664 0.067,665 0.167,666 5.704,667 5.176,668 0.621,669 34.312,670 1.036,671 1.139,672 4.075,673 16.608,674 0.675,675 3.466,676 3.784,677 3.932,678 4.078,679 4.277,680 4.234,681 4.317,682 4.394,683 4.369,684 4.419,685 8.268,686 0.676,687 402.4,688 3.466,689 5.004,690 5.814,691 6.671,692 7.496,693 8.351,694 9.181,695 10.035,696 10.869,697 11.722,698 4.3,705 1,708 1,715 12,716 1,720 5,722 18,737 1,739 1,741 46,743 19,744 2,745 31,747 48,748 21,749 17,750 3,751 9,756 3,757 3,763 1,769 1,772 18,773 3,777 1,782 1,786 1,791 3,793 17,794 8,796 8,802 2,808 1,809 3,822 1,829 3,859 3,864 1,866 3,868 29,876 1,878 2,881 1,882 1,892 3,893 6.5,896 1,898 2,901 15.583,902 8.579,903 6.278,904 2.497,907 3.014,908 1.418,909 0.964,910 6.402,911 10.227,912 3.738,913 4.297,914 4.756,915 5.228,916 5.751,917 5.741,918 6.038,919 6.348,920 6.586,921 6.891,922 1,923 41,924 11.118,926 5.1,927 0.026,929 8.319,931 19.343,933 15.133,936 2.819,937 81.75,941 200.109,942 159.983,943 19.91,945 47.145,946 44.88,948 159.983,949 247.253,950 64.79,951 8.396,952 5.23,953 104.239,954 53.702,955 92.786,956 11.577,957 188.338,958 7.76,959 200.109,960 179.893,961 92.025,964 200.109,965 92.025,968 22.037,969 141.07,970 16.786,972 244.989,973 67.055,974 159.983,977 207.868,978 30.541,979 124.807,981 108.811,982 200.109,983 111.935,984 159.983,986 0.588,987 0.319,988 0.151,989 0.083,990 19,991 9,992 0.125,993 6,995 1,996 4.165,997 232.992,999 18,1000 128.127,1005 20.689,1006 8.974,1007 5.967,1009 111.935,1010 18.309,1011 3.64,1015 0.786,1018 472.026,1019 41,1024 12.176,1028 -0.521,1031 47.676,1032 52.381,1034 0.318,1035 0.593,1036 0.728,1037 0.839,1038 0.876,1039 0.892,1040 4.966,1041 1.481,1042 5.826,1043 4.604,1044 4.466,1045 4.984,1046 3.467,1047 6.608,1048 4.325,1049 6.175,1050 1.047,1051 7.381,1052 3.28,1053 4.205,1054 4.705,1055 4.006,1056 7.687,1057 3.858,1058 7.474,1059 1,1060 9.046,1061 2.559,1062 6.094,1063 7.085,1064 5.563,1065 10.628,1066 5.773,1067 8.804,1068 1,1069 10.78,1070 2.275,1071 6.608,1072 7.504,1073 6.736,1074 12.537,1075 6.049,1076 10.161,1077 1,1078 12.561,1079 2.275,1080 8.031,1081 9.422,1082 8.102,1083 15.097,1084 7.478,1085 11.536,1086 0.256,1087 14.377,1088 2.136,1089 8.891,1090 10.177,1091 9.406,1092 17.34,1093 8.103,1094 12.927,1095 -0.175,1096 16.219,1097 0.648,1098 10.142,1099 11.87,1100 10.748,1101 19.808,1102 9.315,1103 3.314,1104 -0.27,1105 18.083,1106 -0.442,1107 11.166,1108 12.821,1109 12.081,1110 22.182,1111 10.121,1112 2.834,1113 11.657,1114 19.965,1115 -0.628,1116 12.356,1117 14.381,1118 13.421,1119 24.631,1120 11.229,1121 2.686,1122 8.405,1123 21.861,1124 3.846,1125 13.459,1126 15.457,1127 14.76,1128 27.055,1129 12.132,1130 2.481,1131 7.764,1132 23.77,1133 3.655,1134 14.633,1135 16.933,1136 16.101,1137 29.504,1138 13.192,1139 2.317,1140 7.091,1141 25.688,1142 3.465,1143 15.776,1144 18.093,1145 17.442,1146 31.947,1147 14.149,1148 2.018,1149 6.476,1150 27.615,1151 3.19,1152 16.949,1153 19.514,1154 18.783,1155 34.399,1156 15.186,1157 1.567,1158 5.848,1159 29.548,1160 3.012,1161 18.114,1162 20.731,1163 20.125,1164 36.849,1165 16.174,1166 11988,1167 23420,1168 20.167,1169 31.04,1170 46.924,1171 46.268,1172 46.453,1173 46.265,1174 46.001,1175 59.885,1176 15.876,1177 130.038,1178 42.856,1179 5.334,1180 6.46,1181 6.913,1182 5.269,1183 5.314,1184 6.846,1185 5.529,1186 18.535,1187 4.856,1188 16.233,1189 1.514,1190 1.493,1191 1.498,1192 1.492,1193 1.484,1194 1.932,1195 0.512,1196 4.195,1197 1.382,1198 3.971,1199 3.995,1200 3.927,1201 3.87,1202 8.513,1203 3.873,1204 3.907,1205 3.939,1206 3.844,1207 3.824,1208 7.999,1209 3.827,1210 3.838,1211 3.864,1212 3.793,1213 3.736,1214 7.999,1215 3.745,1216 3.561,1217 3.615,1218 3.49,1219 3.307,1220 7.433,1221 3.34,1222 3.312,1223 3.348,1224 3.331,1225 2.998,1226 5.004,1227 3.06,1228 3.069,1229 3.079,1230 2.983,1231 2.85,1232 4.773,1233 2.87,1234 2.955,1235 3.044,1236 2.781,1237 2.741,1238 4.747,1239 2.744,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 4.34,1245 2.715,1246 0.143,1247 0.144,1248 0.229,1249 0.134,1250 0.107,1251 4.44,1252 0.124,1253 4.46,1254 0.123,1255 7.111,1256 0.376,1257 4.168,1258 0.092,1259 3.314,1260 3.846,1261 3.825,1262 11.657,1263 2.856,1264 1.914,1265 1.885,1266 2.043,1267 2.026,1268 1.166,1269 2.025,1270 1.882,1271 1.863,1272 1.978,1273 2.001,1274 1.044,1275 1.996,1276 1.799,1277 1.772,1278 1.892,1279 1.923,1280 0.959,1281 1.914,1282 1.468,1283 1.404,1284 1.709,1285 1.734,1286 0.801,1287 1.725,1288 1.076,1289 1.058,1290 1.362,1291 1.428,1292 0.501,1293 1.317,1294 1.006,1295 0.942,1296 1.181,1297 1.237,1298 0.22,1299 1.276,1300 0.896,1301 0.861,1302 1.181,1303 1.219,1304 0.218,1305 1.165,1306 0.886,1307 0.821,1308 1.163,1309 1.062,1310 0.218,1311 1.107,1312 4.143,1314 5.46,1316 6.954,1318 8.518,1320 10.115,1322 1.628,1324 37.645,1328 0.403,1330 10.701,1333 1.436,1334 -4.454,1340 31.078,1341 80.849,1342 150.646,1343 185.011,1344 213.064,1345 222.574,1346 226.574,1347 65.001,1348 7.213,1349 51.66,1350 51.66,1351 18,1352 12.282,1353 4.322,1354 3.459,1355 52.995,1356 147,1357 124,1358 0.175,1359 189.927,1360 342.26,1361 455.183,1362 14126,1363 6.5,1364 20.855,1365 0.719,1366 0.531,1367 18.355,1368 15.388,1369 13.809,1370 0.445,1371 0.277,1372 8.397,1373 13.034,1374 8.246,1375 6.843,1376 12.597,1377 8.591,1378 13.136,1379 0.305,1380 0.143,1381 11.178,1382 6.166,1383 9.811,1384 0.196,1385 0.078,1386 8.875,1387 3.889,1388 7.377,1389 0.127,1390 0.041,1391 6.678,1392 2.405,1393 5.917,1394 0.083,1395 0.022,1396 5.652,1397 1.555,1398 0.288,1399 88.426,1400 0.223,1401 28.486,1402 0.447,1403 148,1404 686.83,1405 179.891,1406 572.896,1407 742.99,1408 530,1409 167,1410 520.111,1411 191.773,1412 503.327,1413 748.07,1414 469,1415 4.301}
{0 CHEMBL235903,1 1.45,2 9.857,3 2.708,4 7.333,5 75.294,6 8.615,7 0.545,8 3.599,9 3.664,10 3.259,11 3.182,12 4.946,13 3.194,14 4.04,15 4.134,16 3.59,17 3.505,18 5.486,19 3.511,20 4.241,21 4.351,22 3.697,23 3.602,24 5.784,25 3.605,26 4.3,27 4.43,28 3.55,29 3.493,30 5.804,31 3.491,32 4.213,33 4.39,34 3.33,35 3.324,36 5.621,37 3.306,38 3.91,39 4.07,40 3.203,41 3.173,42 5.283,43 3.149,44 3.813,45 3.94,46 3.207,47 3.095,48 5.513,49 3.075,50 3.814,51 3.985,52 2.999,53 2.925,54 5.44,55 2.897,56 0.117,57 0.378,58 4.681,59 3.084,60 19.388,61 3.064,62 0.316,63 0.583,64 8.862,65 4.775,66 51.717,67 4.924,68 0.378,69 0.711,70 11.409,71 5.838,72 64.831,73 6.135,74 0.479,75 0.736,76 13.809,77 5.996,78 75.007,79 5.903,80 0.531,81 0.674,82 15.229,83 5.574,84 105.451,85 5.921,86 0.353,87 0.508,88 10.009,89 4.239,90 61.023,91 4.821,92 0.398,93 0.457,94 7.987,95 3.789,96 68.962,97 4.382,98 0.43,99 0.45,100 9.814,101 3.748,102 88.91,103 4.329,104 30,105 30,106 0.267,107 0.571,108 0.638,109 0.727,110 0.791,111 0.803,112 3.102,113 0.831,114 -3.47,115 -3.45,116 -3.29,121 48.5,126 1,144 8,145 3,146 1,159 2,160 1,170 1,174 1,176 10,177 1,180 5,183 1,185 1,187 10,188 2,191 1,192 10,197 2,200 6,201 2,206 11,211 2,214 4,215 1,219 6,224 1,227 8,231 1,232 1,233 1,239 9,243 2,244 1,245 1,247 1,251 6,252 1,255 1,256 3,259 1,261 1,264 2,265 2,269 4,274 2,278 2,281 578,282 13.853,283 13.853,284 13.853,285 13.853,286 13.853,287 12.141,288 8.338,289 8.001,290 13.99,291 10.697,292 10.697,293 10.697,294 10.697,295 10.697,296 7.955,297 6.891,298 3.644,299 10.78,300 3.595,301 1.947,302 1.584,303 1.099,304 0.75,305 0.69,306 3.757,310 1,311 1,312 1,313 423,314 3.464,318 152.923,325 1.578,326 36.217,328 1,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 47,338 207,339 4.402,340 3.837,341 6.529,342 4.082,343 3.051,344 3.966,345 1.437,346 10.034,347 3.143,348 4.134,349 3.575,350 5.932,351 3.752,352 2.75,353 3.721,354 0.86,355 8.226,356 2.748,357 3.918,358 2.998,359 5.691,360 3.522,361 2.538,362 3.364,364 7.546,365 2.498,366 3.6,367 2.801,368 5.274,369 3.215,370 2.239,371 2.934,373 6.628,374 2.168,375 3.074,376 2.256,377 4.516,378 2.596,379 1.579,380 2.224,382 4.212,383 1.59,384 2.701,385 1.974,386 3.794,387 2.182,388 1.166,389 1.673,391 2.839,392 1.166,393 2.5,394 1.669,395 3.414,396 2,397 1,398 1.5,400 2.275,401 1,402 2.5,403 1.066,404 3.414,405 2,406 1,407 1.5,409 2.275,410 1,411 2.273,412 1,413 3.258,414 1.656,415 0.627,416 0.882,418 1.307,419 0.621,420 1.638,421 1,422 2.673,423 1.306,424 0.356,425 0.461,427 0.59,428 0.338,429 0.961,430 0.458,431 2.208,432 0.499,433 -0.529,434 -0.698,436 -1.089,437 -0.524,438 0.812,439 0.007,440 2,441 0.401,442 -0.581,443 -0.796,445 -1.22,446 -0.569,447 0.5,448 -0.197,449 2,451 -1,452 -1.371,454 -2,455 -0.972,456 0.5,457 -0.566,458 1.815,460 -1,461 -1.5,463 -3,464 -1,465 0.435,466 -1,467 1.524,468 -0.008,469 -1,470 -1.5,472 -3,473 -1,474 9.667,475 0.46,476 0.562,477 0.027,478 29.5,479 1.405,480 17,481 0.81,482 12.5,483 0.595,484 11.892,485 0.566,486 22.133,487 0.671,488 22.735,489 1.083,490 6.358,491 0.303,492 3.666,493 0.175,494 0.19,496 0.362,501 0.709,502 0.972,503 0.675,504 0.955,505 0.658,506 0.842,507 0.747,508 0.916,509 0.75,510 0.909,511 0.573,512 0.85,513 0.815,514 1.135,515 0.858,516 1.127,517 0.725,518 1.037,519 1.273,520 1.171,521 1.194,522 1.164,523 1.317,524 1.155,525 1.298,526 0.833,527 1.107,528 0.827,529 1.529,530 0.883,531 0.8,532 0.908,533 0.867,534 0.913,535 0.986,536 0.913,537 0.418,538 1.154,539 0.827,540 1.178,541 0.493,542 1.152,543 0.821,544 0.97,545 0.964,546 0.983,547 0.85,548 1.013,549 4.5,550 0.066,551 3.111,552 1.5,553 1.204,554 0.771,555 0.364,556 0.267,557 0.18,558 0.08,559 4122,560 15749,561 1.941,562 36.4,564 11,567 1,572 1.629,573 1.775,574 3.283,575 -0.291,577 1,579 1,582 47.836,583 1.45,584 3.097,585 3.461,586 3.945,587 4.294,588 4.355,589 2.737,590 3.916,591 4.359,592 3.402,593 714.346,594 7.456,595 7634.57,596 1,597 1,598 1,599 1,600 166.465,601 1.545,602 4.294,603 0.205,604 0.008,605 0.104,606 0.047,607 0.046,608 0.037,609 0.019,610 0.015,611 0.013,612 0.007,613 0.501,614 0.5,615 1,616 1.025,617 95.708,618 -0.065,619 0.027,620 -0.004,621 0.032,622 -0.097,623 0.034,624 0.028,625 0.074,626 0.034,627 0.072,628 0.074,629 0.06,630 0.018,631 -0.158,632 -0.015,633 -0.155,634 0.109,635 -0.111,636 -0.229,637 -0.206,638 -0.243,639 -0.209,640 -0.185,641 -0.225,642 -0.232,643 0.131,644 -0.037,645 0.142,646 -0.272,647 0.125,648 0.056,649 0.063,650 0.103,651 0.069,652 -0.067,653 0.094,654 0.447,655 -0.184,656 0.081,657 -0.206,658 0.388,659 -0.193,660 0.197,661 -0.009,662 0.096,663 -0.014,664 0.236,665 0.001,666 2.754,667 5.057,668 0.571,669 17.265,670 1.028,671 1.107,672 2.239,673 5.013,674 0.692,675 3.135,676 3.434,677 3.664,678 3.761,679 3.932,680 3.97,681 4.007,682 3.807,683 3.714,684 3.611,685 5.681,686 0.689,687 284.28,688 3.135,689 4.654,690 5.485,691 6.333,692 7.18,693 8.033,694 8.885,695 9.74,696 10.594,697 11.451,715 8,720 4,722 12,727 2,731 1,739 1,741 33,743 15,744 2,745 22,747 34,748 16,749 12,750 4,751 8,752 3,756 2,757 2,772 15,773 1,777 3,782 3,786 3,789 1,790 1,793 12,794 5,795 1,796 5,808 1,809 5,829 2,857 1,859 2,864 1,868 21,875 1,878 1,893 15.2,895 1,896 3,898 1,901 11.833,902 6.283,903 4.778,904 1.744,907 2.225,908 1.355,909 0.918,910 4.386,911 8.498,912 3.466,913 4.025,914 4.59,915 5.022,916 5.52,917 5.697,918 5.981,919 5.815,920 5.915,921 6.188,922 0.857,923 32,924 7.769,926 3.338,927 0.026,929 8.365,931 13.863,933 10.768,936 2.865,937 60.167,941 129.482,942 112.67,945 129.118,948 112.67,949 258.6,951 10.883,953 75.81,954 129.295,955 25.8,957 129.482,959 129.482,960 112.67,961 129.118,964 129.482,965 129.118,969 112.67,972 129.482,973 129.118,974 112.67,977 129.482,978 25.977,979 86.693,981 129.118,982 129.482,983 129.118,984 112.67,986 0.582,987 0.347,988 0.158,989 0.08,990 13,991 7,992 0.147,993 5,995 1,996 3.267,997 150.328,999 12,1000 84.239,1005 14.792,1006 6.227,1007 3.288,1009 129.118,1010 11.422,1015 1.053,1017 42.683,1018 371.27,1019 31,1024 34.843,1028 -2.423,1031 33.938,1032 36.538,1034 0.287,1035 0.614,1036 0.686,1037 0.782,1038 0.851,1039 0.863,1040 4.673,1041 1,1042 5.476,1043 2.275,1044 4.111,1045 4.71,1046 1.888,1047 6.26,1048 4.111,1049 5.887,1050 0.627,1051 7.04,1052 2.275,1053 3.761,1054 4.511,1056 7.163,1057 3.783,1058 7.192,1059 0.356,1060 8.702,1061 1.307,1062 5.694,1063 6.868,1064 2.362,1065 10.189,1066 5.711,1067 8.532,1068 -0.529,1069 10.419,1070 0.59,1071 6.133,1072 7.44,1074 11.858,1075 6.188,1076 9.9,1077 -0.581,1078 12.17,1079 -1.089,1080 7.554,1081 9.284,1082 2.965,1083 14.421,1084 7.61,1085 11.288,1086 -1,1087 13.944,1088 -1.22,1089 8.333,1090 10.201,1092 16.406,1093 8.433,1094 12.69,1095 -1,1096 15.733,1097 -2,1098 9.554,1099 11.822,1100 3.635,1101 18.808,1102 9.664,1103 3.051,1104 -1,1105 17.533,1106 -3,1107 10.491,1108 12.918,1110 20.944,1111 10.646,1112 2.75,1113 10.034,1114 19.343,1115 -3,1116 11.63,1117 14.424,1118 4.335,1119 23.284,1120 11.804,1121 2.538,1122 8.226,1123 21.161,1124 3.966,1125 12.644,1126 15.624,1128 25.496,1129 12.861,1130 2.239,1131 7.546,1132 22.985,1133 3.721,1134 13.752,1135 17.067,1136 5.05,1137 27.812,1138 13.995,1139 1.579,1140 6.628,1141 24.814,1142 3.364,1143 14.806,1144 18.329,1146 30.065,1147 15.089,1148 1.166,1149 4.212,1150 26.648,1151 2.934,1152 15.903,1153 19.737,1154 5.77,1155 32.372,1156 16.217,1157 1,1158 2.839,1159 28.486,1160 2.224,1161 16.978,1162 21.037,1164 34.648,1165 17.33,1166 4238,1167 8371,1168 13.929,1169 22.841,1170 33.298,1171 35.486,1172 34.553,1173 32.625,1174 32.612,1175 44.451,1176 4.593,1177 91.864,1178 32.543,1179 5.228,1180 5.837,1181 6.079,1182 5.082,1183 5.051,1184 6.966,1185 2.873,1186 17.165,1187 5.143,1188 12.652,1189 1.514,1190 1.613,1191 1.571,1192 1.483,1193 1.482,1194 2.021,1195 0.209,1196 4.176,1197 1.479,1198 3.994,1199 4.005,1200 3.953,1201 3.921,1202 7.497,1203 3.925,1204 3.877,1205 3.896,1206 3.824,1207 3.811,1208 7.474,1209 3.81,1210 3.481,1211 3.466,1212 3.457,1213 3.282,1214 7.352,1215 3.323,1216 3.257,1217 3.292,1218 3.172,1219 2.99,1220 6.351,1221 3.023,1222 3.118,1223 3.129,1224 2.969,1225 2.83,1226 4.853,1227 2.854,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 4.655,1233 2.715,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 4.337,1239 2.715,1240 2.722,1241 2.74,1242 2.624,1243 2.497,1244 3.674,1245 2.524,1246 0.2,1247 0.174,1248 0.297,1249 0.186,1250 0.139,1251 4.402,1252 0.18,1253 3.837,1254 0.065,1255 6.529,1256 0.456,1257 4.082,1258 0.143,1259 3.051,1260 3.966,1261 1.437,1262 10.034,1263 3.143,1264 1.947,1265 1.934,1266 2.032,1267 2.037,1268 1.12,1269 2.033,1270 1.867,1271 1.848,1272 1.971,1273 1.958,1274 1.057,1275 1.961,1276 1.347,1277 1.355,1278 1.576,1279 1.594,1280 0.578,1281 1.565,1282 1.173,1283 1.119,1284 1.362,1285 1.471,1286 0.357,1287 1.448,1288 0.976,1289 0.962,1290 1.181,1291 1.296,1292 0.218,1293 1.232,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 0.886,1301 0.821,1302 1.104,1303 1.062,1304 0.109,1305 1.107,1306 0.625,1307 0.605,1308 0.836,1309 0.883,1311 0.867,1312 3.807,1314 5.106,1316 6.608,1318 8.188,1320 9.805,1322 1.506,1327 8.787,1330 4.978,1340 22.735,1341 47.836,1342 102.2,1343 114.2,1344 130.2,1345 141.71,1346 143.71,1347 55.465,1348 6.273,1349 80.67,1350 80.67,1351 12,1352 12.004,1353 4,1354 3.322,1355 39.448,1356 70,1357 75,1358 0.279,1359 143.096,1360 259.03,1361 340.914,1362 3564,1364 15.405,1365 0.734,1366 0.533,1367 15.405,1368 11.199,1369 10.024,1370 0.456,1371 0.277,1372 5.992,1373 9.599,1374 5.838,1375 4.867,1376 10.024,1377 6.091,1378 8.826,1379 0.294,1380 0.142,1381 8.826,1382 4.269,1383 7.545,1384 0.199,1385 0.078,1386 7.545,1387 2.952,1388 5.318,1389 0.127,1390 0.042,1391 5.318,1392 1.769,1393 3.879,1394 0.078,1395 0.022,1396 3.879,1397 1.118,1398 0.437,1399 63.569,1400 0.268,1401 20.992,1402 0.762,1403 104,1404 409.092,1405 115.514,1406 384.788,1407 496.98,1408 354,1409 120,1410 336.485,1411 130.742,1412 341.452,1413 493.12,1414 318,1415 4}
{0 CHEMBL235931,1 1.273,2 6.444,3 3.721,4 13.844,5 70.353,6 7.876,7 0.6,8 3.495,9 3.581,10 3.121,11 3.198,12 4.652,13 3.161,14 4.002,15 4.123,16 3.477,17 3.59,18 5.133,19 3.536,20 4.327,21 4.488,22 3.677,23 3.774,24 5.606,25 3.712,26 4.401,27 4.564,28 3.637,29 3.744,30 5.65,31 3.679,32 4.39,33 4.588,34 3.387,35 3.543,36 5.682,37 3.466,38 4.019,39 4.244,40 2.806,41 3.135,42 5.215,43 3.016,44 3.398,45 3.637,46 2.153,47 2.661,48 4.326,49 2.486,50 2.977,51 3.267,52 1.399,53 2.133,54 3.664,55 1.884,56 0.002,57 0.32,58 4.96,59 2.744,60 4.583,61 3.381,62 0.01,63 0.551,64 9.151,65 4.744,66 9.555,67 5.938,68 0.146,69 0.788,70 14.5,71 6.783,72 44.527,73 8.646,74 0.071,75 0.849,76 15.957,77 7.24,78 31.666,79 8.818,80 0.238,81 0.858,82 18.261,83 7.221,84 67.111,85 8.318,86 0.228,87 0.602,88 13.375,89 5.085,90 56.445,91 5.922,92 0.058,93 0.326,94 6.594,95 2.857,96 15.167,97 3.81,98 0.02,99 0.221,100 4.559,101 1.978,102 5.889,103 2.862,104 5,105 28,106 0.239,107 0.509,108 0.584,109 0.684,110 0.709,111 0.709,112 2.963,113 0.903,114 -4.63,115 -4.55,116 -4.28,121 53.3,123 2,144 8,145 4,159 2,176 15,180 2,187 18,191 1,192 6,200 16,206 10,214 12,219 8,227 12,232 2,239 10,251 6,264 2,281 224,282 12.328,283 12.328,284 12.328,285 12.328,286 12.328,287 10.705,288 7.456,289 7.268,290 12.281,291 9.84,292 9.84,293 9.84,294 9.84,295 9.84,296 7.298,297 5.096,298 3.405,299 9.729,300 3.634,301 2.2,302 1.8,303 1.267,304 1.133,305 1.133,306 3.643,310 1,311 1,312 1,313 254,314 1.732,318 61.108,320 36.479,324 116.694,325 0.938,326 20.81,329 1,330 0.83,331 1,332 0.6,333 0.5,334 1,335 1,336 0.85,337 38,338 116,339 4.513,340 3.863,341 6.753,342 4.199,343 3.176,344 4.107,346 10.888,347 3.248,348 4.173,349 3.101,350 6.287,351 3.787,352 2.783,353 3.802,355 9.397,356 2.794,357 3.673,358 2.859,359 5.524,360 3.344,361 2.315,362 3,364 6.904,365 2.373,366 2.99,367 2.5,368 4.599,369 2.573,370 1.571,371 2.16,373 4.349,374 1.574,375 2.976,376 1.724,377 4.142,378 2.557,379 1.538,380 2.158,382 3.547,383 1.564,384 2.854,385 1.511,386 3.641,387 2.414,388 1.414,389 1.997,391 3.035,392 1.414,393 2.593,394 1.317,395 3.603,396 2.098,397 1.079,398 1.598,400 2.664,401 1.096,402 2.238,403 1.309,404 3.171,405 1.639,406 0.636,407 0.823,409 1.473,410 0.638,411 1.877,412 0.719,413 3.143,414 1.61,415 0.519,416 0.762,418 1.19,419 0.561,420 1.092,421 0.127,422 2.281,423 0.725,424 -0.316,425 -0.429,427 -0.746,428 -0.328,429 0.775,430 -0.115,431 2.223,432 0.358,433 -0.662,434 -0.871,436 -1.547,437 -0.672,438 0.629,439 -0.713,440 2,441 0.165,442 -0.851,443 -1.255,445 -2.039,446 -0.865,447 0.546,448 -0.784,449 2,450 0.086,451 -0.917,452 -1.311,454 -2.178,455 -0.919,456 0.184,457 -0.939,458 1.516,459 -0.247,460 -1.348,461 -1.889,463 -3.502,464 -1.414,465 -0.102,466 -1.249,467 1.357,468 -0.414,469 -1.414,470 -2,472 -3.952,473 -1.488,474 8.667,475 0.481,476 0.401,477 0.022,478 25.5,479 1.417,480 15,481 0.833,482 10.5,483 0.583,484 11.115,485 0.618,486 17.733,487 0.591,488 16.846,489 0.936,490 5.081,491 0.282,492 3.69,493 0.205,494 0.077,496 0.346,501 0.453,502 0.85,503 0.692,504 0.848,505 0.483,506 0.812,507 0.537,508 1.007,509 0.821,510 1.005,511 0.569,512 0.963,513 0.57,514 0.984,515 0.79,516 0.979,517 0.58,518 0.927,519 1.07,520 1.215,521 1.017,522 1.197,523 1.069,524 1.116,525 1.788,526 0.997,527 1.196,528 0.985,529 1.765,530 1.001,531 1.863,532 0.79,533 1.299,534 0.805,535 1.824,536 0.942,537 0.667,538 1.033,539 1.187,540 1.07,541 0.665,542 1.18,543 0.116,544 1.162,545 1.084,546 1.202,547 0.14,548 1.268,549 2.5,551 2.444,552 1.5,553 1.084,554 0.806,555 0.162,556 0.049,559 2482,560 6580,561 2.12,562 40,563 4,564 8,572 1.595,573 2,574 2.717,575 -0.873,577 1,579 1,582 38.187,583 1.273,584 2.707,585 3.107,586 3.64,587 3.774,588 3.774,589 1.975,590 2.948,591 4.151,592 2.726,593 417.027,594 7.081,595 3788.57,596 1,597 1,599 1,600 147.207,601 1.352,602 4.109,603 0.125,605 0.087,606 0.045,607 0.036,608 0.037,609 0.013,610 0.008,613 0.352,614 0.83,615 1,616 0.584,617 73.298,619 0.055,620 0.033,621 0.055,622 -0.02,623 0.05,624 0.014,625 -0.087,626 -0.024,627 -0.084,628 -0.013,629 -0.064,630 0.221,631 -0.036,632 0.113,633 -0.029,634 0.212,635 0.017,636 -0.015,637 -0.264,638 -0.074,639 -0.252,640 -0.009,641 -0.186,642 -0.212,643 -0.004,644 -0.118,645 -0.009,646 -0.185,647 -0.043,648 -0.324,649 0.222,650 -0.184,651 0.196,652 -0.286,653 0.056,654 -0.076,655 -0.053,656 -0.186,657 -0.068,658 -0.086,659 -0.13,660 0.108,661 -0.17,662 -0.036,663 -0.166,664 0.062,665 -0.13,666 2.058,667 5.203,668 0.889,669 8.395,670 0.999,671 1.097,672 3.398,673 11.545,674 0.716,675 3.045,676 3.367,677 3.689,678 3.932,679 4.143,680 4.174,681 4.344,682 4.394,683 4.407,684 4.394,685 3.888,686 0.686,687 236.28,688 3.045,689 4.575,690 5.442,691 6.323,692 7.204,693 8.089,694 8.974,695 9.861,696 10.747,697 11.634,715 8,720 4,722 12,727 2,741 30,743 14,744 2,745 20,747 32,748 16,749 12,750 4,751 8,752 2,756 3,757 6,767 2,770 2,772 14,773 2,777 2,782 2,786 2,790 1,793 12,794 2,796 2,808 0.333,809 2,829 2,831 1,835 2,859 1,868 18,876 2,893 6.7,896 2,901 9,902 5.5,903 3.972,904 1.896,907 2.669,908 1.397,909 1.018,910 2.565,911 9.398,912 3.367,913 3.951,914 4.57,915 5.08,916 5.567,917 5.659,918 6.032,919 6.322,920 6.635,921 6.931,922 0.6,923 33,924 6.709,926 2.965,927 0.026,929 7.889,931 12.693,933 10.708,936 2.389,937 43,938 0.001,941 141.253,942 103.888,945 50.29,948 103.888,949 191.543,952 5.069,953 75.81,954 60.557,955 12.742,957 141.253,959 141.253,960 103.888,961 50.29,964 141.253,965 50.29,968 5.069,969 98.819,972 141.253,973 50.29,974 103.888,977 141.253,978 28.078,979 75.81,981 50.29,982 141.253,983 50.29,984 103.888,986 0.582,987 0.362,988 0.199,989 0.105,990 15,991 6,994 2,995 1.25,996 2.943,997 137.48,998 0.25,999 16,1000 57.059,1005 10.916,1006 4.23,1007 1.798,1009 50.29,1010 14.749,1015 3.032,1018 295.431,1019 28,1024 24.405,1028 -0.782,1031 29.956,1032 32.91,1034 0.259,1035 0.552,1036 0.633,1037 0.742,1038 0.769,1039 0.769,1040 4.585,1041 0.636,1042 5.425,1043 2.664,1044 4.043,1045 4.635,1047 6.263,1048 4.071,1049 5.791,1050 0.519,1051 7.004,1052 1.473,1053 3.611,1054 4.369,1056 7.239,1057 3.674,1058 7.1,1059 -0.316,1060 8.692,1061 1.19,1062 5.652,1063 6.815,1065 10.383,1066 5.71,1067 8.448,1068 -0.662,1069 10.445,1070 -0.746,1071 6.089,1072 7.398,1074 12.189,1075 6.189,1076 9.832,1077 -0.851,1078 12.238,1079 -1.547,1080 7.577,1081 9.284,1083 14.841,1084 7.672,1085 11.24,1086 -0.917,1087 14.057,1088 -2.039,1089 8.401,1090 10.261,1092 16.962,1093 8.537,1094 12.667,1095 -1.348,1096 15.895,1097 -2.178,1098 9.672,1099 11.903,1101 19.445,1102 9.811,1103 3.176,1104 -1.414,1105 17.745,1106 -3.502,1107 10.669,1108 13.075,1110 21.699,1111 10.843,1112 2.783,1113 10.888,1114 19.605,1115 -3.952,1116 11.855,1117 14.599,1119 24.117,1120 12.041,1121 2.315,1122 9.397,1123 21.472,1124 4.107,1125 12.93,1126 15.872,1128 26.432,1129 13.146,1130 1.571,1131 6.904,1132 23.344,1133 3.802,1134 14.084,1135 17.337,1137 28.825,1138 14.318,1139 1.538,1140 4.349,1141 25.22,1142 3,1143 15.196,1144 18.665,1146 31.17,1147 15.457,1148 1.414,1149 3.547,1150 27.1,1151 2.16,1152 16.34,1153 20.098,1155 33.554,1156 16.623,1157 1.079,1158 3.035,1159 28.983,1160 2.158,1161 17.469,1162 21.457,1164 35.915,1165 17.777,1166 2423,1167 4026,1168 13.523,1169 21.477,1170 30.575,1171 32.262,1172 31.326,1173 30.082,1174 30.061,1175 40.814,1177 86.892,1178 30.523,1179 5.422,1180 5.863,1181 6.44,1182 5.199,1183 5.176,1184 7.107,1186 18.445,1187 5.248,1188 6.472,1189 1.529,1190 1.613,1191 1.566,1192 1.504,1193 1.503,1194 2.041,1196 4.345,1197 1.526,1198 4.041,1199 4.059,1200 3.994,1201 3.982,1202 7.496,1203 3.981,1204 3.838,1205 3.863,1206 3.776,1207 3.79,1208 7.352,1209 3.784,1210 3.423,1211 3.439,1212 3.376,1213 3.252,1214 4.739,1215 3.271,1216 3.334,1217 3.376,1218 3.18,1219 3.21,1220 4.661,1221 3.204,1222 2.876,1223 2.919,1224 2.796,1225 2.76,1226 3.928,1227 2.757,1228 2.853,1229 2.905,1230 2.707,1231 2.744,1232 3.636,1233 2.729,1234 2.707,1235 2.778,1236 2.536,1237 2.553,1238 3.623,1239 2.54,1240 2.303,1241 2.369,1242 2.204,1243 2.11,1244 3.478,1245 2.109,1246 0.226,1247 0.193,1248 0.338,1249 0.21,1250 0.159,1251 4.513,1252 0.205,1253 3.863,1255 6.753,1256 0.544,1257 4.199,1258 0.162,1259 3.176,1260 4.107,1262 10.888,1263 3.248,1264 2.011,1265 1.993,1266 2.112,1267 2.088,1268 1.328,1269 2.095,1270 1.848,1271 1.824,1272 1.962,1273 1.918,1274 1.069,1275 1.934,1276 1.384,1277 1.334,1278 1.643,1279 1.562,1280 0.831,1281 1.585,1282 1.293,1283 1.283,1284 1.378,1285 1.484,1286 0.368,1287 1.453,1288 0.882,1289 0.824,1290 1.161,1291 1.048,1292 0.301,1293 1.09,1294 0.856,1295 0.819,1296 1.078,1297 1.017,1298 0.178,1299 1.033,1300 0.72,1301 0.654,1302 1.031,1303 0.933,1304 0.076,1305 0.972,1306 0.282,1307 0.222,1308 0.698,1309 0.577,1311 0.602,1312 3.714,1314 5.03,1316 6.561,1318 8.187,1320 9.862,1328 1.596,1340 20.59,1341 38.187,1342 81.207,1343 93.207,1344 109.207,1345 113.207,1346 113.207,1347 31.077,1348 6.729,1349 34.14,1350 34.14,1351 20,1352 12.165,1353 3.907,1354 3.17,1355 25.466,1356 47,1357 28,1358 0.31,1359 126.641,1360 222.94,1361 300.764,1362 6771,1364 12.535,1365 0.696,1366 0.547,1367 12.535,1368 9.85,1369 8.771,1370 0.439,1371 0.301,1372 5.992,1373 8.644,1374 5.856,1375 4.833,1376 8.771,1377 6.02,1378 7.712,1379 0.275,1380 0.16,1381 7.712,1382 4.473,1383 7.024,1384 0.18,1385 0.087,1386 7.024,1387 3.394,1388 5.782,1389 0.116,1390 0.049,1391 5.782,1392 2.434,1393 4.695,1394 0.076,1395 0.027,1396 4.695,1397 1.697,1398 0.452,1399 53.78,1400 0.272,1401 17.326,1402 0.96,1403 96,1404 271.471,1405 100.207,1406 266.415,1407 360.4,1408 248,1409 115,1410 257.273,1411 119.761,1412 264.04,1413 388.78,1414 250,1415 4}
{0 CHEMBL236173,1 1.802,2 10.87,3 4.538,4 20.593,5 87.208,6 9.546,7 0.48,8 3.741,9 3.822,10 3.514,11 3.303,12 4.905,13 3.304,14 4.268,15 4.399,16 3.912,17 3.672,18 5.493,19 3.649,20 4.499,21 4.676,22 3.95,23 3.694,24 5.657,25 3.651,26 4.345,27 4.515,28 3.873,29 3.485,30 5.608,31 3.473,32 4.101,33 4.225,34 3.63,35 3.423,36 5.448,37 3.408,38 4.092,39 4.234,40 3.541,41 3.54,42 5.224,43 3.451,44 4.205,45 4.414,46 3.418,47 3.483,48 5.241,49 3.33,50 4.045,51 4.296,52 3.264,53 3.136,54 5.014,55 3.01,56 0.115,57 0.497,58 4.405,59 3.196,60 7.722,61 3.493,62 0.444,63 0.797,64 10.924,65 5.385,66 25.059,67 6.174,68 0.637,69 0.877,70 23.931,71 7.618,72 46.714,73 8.536,74 0.685,75 0.713,76 22.781,77 6.46,78 60.71,79 6.274,80 0.583,81 0.62,82 12.658,83 4.505,84 49.388,85 4.144,86 0.262,87 0.654,88 11.119,89 5.07,90 22.735,91 5.797,92 0.415,93 0.675,94 16.674,95 6.461,96 30.906,97 8.464,98 0.371,99 0.534,100 19.002,101 5.664,102 30.081,103 7.35,104 10,105 34,106 0.326,107 0.634,108 0.73,109 0.767,110 0.787,111 0.806,112 3.187,113 0.952,114 -4.52,115 -4.45,116 -4.19,121 43.2,123 2,127 2,144 5,146 4,147 1,149 1,161 1,176 3,179 4,180 6,187 4,192 9,200 2,206 10,214 1,218 1,219 7,227 4,239 8,243 3,251 6,256 2,264 2,268 2,269 2,281 674,282 15.447,283 15.447,284 15.447,285 15.447,286 15.447,287 13.764,288 18.98,289 9.182,290 16.096,291 12.338,292 12.338,293 12.338,294 12.338,295 12.338,296 9.837,297 20.112,298 4.395,299 13.527,300 3.407,301 1.706,302 1.179,303 0.973,304 0.865,305 0.757,306 3.867,308 2,311 1,312 1,313 536,314 2.828,317 73.887,318 164.074,325 1.898,326 26.751,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 50.667,338 250,339 4.259,340 3.788,341 6.095,342 3.802,343 2.9,344 3.902,345 2.208,346 8.88,347 2.638,348 4.082,349 3.335,350 6.054,351 3.751,352 2.835,353 3.632,354 0.86,355 8.7,356 2.537,357 3.884,358 2.899,359 5.46,360 3.508,361 2.56,362 3.121,363 0.655,364 7.256,365 2.388,366 3.515,367 2.725,368 5.144,369 3.112,370 2.215,371 2.814,372 0.13,373 6.404,374 1.975,375 3.335,376 2.533,377 4.908,378 2.876,379 2,380 2.599,382 5.621,383 1.674,384 2.881,385 2.353,386 4.206,387 2.625,388 1.64,389 1.955,391 3.925,392 1.586,393 2.817,394 1.857,395 4.118,396 2.281,397 1.412,398 1.864,400 3.635,401 1.17,402 2.5,403 1.139,404 3.414,405 2,406 1,407 1.5,409 2.275,410 1,411 1.901,412 1,413 3.248,414 1.751,415 0.795,416 0.845,418 1.892,419 0.75,420 1.687,421 0.955,422 3.028,423 1.591,424 0.618,425 0.618,427 1.372,428 0.6,429 1.618,430 0.744,431 3,432 1.271,433 0.423,434 0.51,436 1.017,437 0.333,438 1.298,439 0.711,440 2.543,441 0.841,442 -0.048,443 -0.06,445 -0.112,446 -0.039,447 0.806,448 0.256,449 2.359,450 0.323,451 -0.513,452 -0.621,454 -1.242,455 -0.293,456 0.759,457 0.135,458 2.196,459 0.254,460 -0.575,461 -0.713,463 -1.522,464 -0.471,465 0.5,466 -0.396,467 2,469 -1,470 -1.27,472 -2.487,473 -0.854,474 11.229,475 0.488,476 0.558,477 0.024,478 30,479 1.304,480 14.5,481 0.63,482 15.5,483 0.674,484 17.018,485 0.74,486 24.771,487 0.669,488 20.077,489 0.873,490 5.835,491 0.254,492 5.279,493 0.23,494 0.157,496 0.303,501 0.738,502 1.412,503 0.509,504 0.975,505 0.559,506 0.868,507 0.675,508 1.095,509 0.617,510 0.862,511 0.472,512 0.888,513 1.052,514 1.05,515 0.907,516 1.085,517 0.788,518 0.994,519 1.665,520 0.834,521 0.656,522 0.604,523 1.73,524 0.649,525 1.428,526 0.808,527 0.9,528 0.69,529 2.011,530 0.812,531 0.811,532 1.14,533 1.005,534 1.134,535 1.016,536 1.233,537 0.358,538 1.032,539 0.848,540 1.129,541 0.404,542 1.23,543 0.608,544 0.994,545 0.779,546 1.03,547 0.496,548 0.939,549 5,550 0.092,551 2.444,552 1.09,553 1.406,554 0.385,555 0.372,556 0.307,557 0.108,558 0.146,559 6296,560 21871,561 2.067,562 37.8,564 9,566 1,569 4,572 1.65,573 1.944,574 3.402,575 -0.686,582 66.692,583 1.802,584 3.504,585 4.031,586 4.236,587 4.345,588 4.453,589 2.931,590 4.089,591 4.495,592 3.587,593 907.432,594 7.702,595 10744.3,597 1,600 192.75,601 1.371,602 4.458,603 0.2,604 0.007,605 0.072,606 0.035,607 0.052,608 0.015,609 0.016,610 0.017,611 0.008,612 0.011,613 0.433,614 0.33,615 1,616 0.58,617 109.91,618 -0.053,619 -0.282,620 0.017,621 -0.123,622 -0.022,623 -0.045,624 0.175,625 0.014,626 0.049,627 0.008,628 0.188,629 -0.025,630 -0.01,631 -0.091,632 0.034,633 -0.123,634 0.054,635 -0.021,636 -0.272,637 0.074,638 0.226,639 0.355,640 -0.199,641 0.297,642 -0.195,643 0.237,644 -0.138,645 0.207,646 -0.306,647 0.029,648 -0.142,649 -0.096,650 -0.222,651 -0.203,652 -0.198,653 -0.299,654 0.292,655 -0.114,656 0.019,657 -0.134,658 0.16,659 -0.154,660 0.206,661 -0.144,662 0.256,663 0.006,664 0.187,665 0.206,666 1.987,667 4.9,668 0.739,669 21.274,670 1.028,671 1.119,672 3.293,673 10.843,674 0.714,675 3.258,676 3.555,677 3.761,678 3.951,679 4.078,680 4.025,681 4.06,682 4.19,683 4.205,684 4.263,685 6.484,686 0.69,687 353.22,688 3.258,689 4.779,690 5.602,691 6.454,692 7.29,693 8.14,694 8.981,695 9.83,696 10.673,697 11.522,698 5.4,705 1,708 1,715 6,716 1,720 5,722 12,737 1,739 1,740 2,741 37,743 13,744 1,745 25,747 39,748 16,749 11,750 2,751 4,756 3,757 3,758 2,767 2,770 2,772 12,773 4,777 1,782 1,786 1,790 1,793 14,794 5,796 7,797 2,802 2,808 1,809 3,822 1,825 1,828 1,829 2,859 3,865 2,868 23,876 4,878 2,881 1,892 2,893 8.1,896 1,898 2,901 11.833,902 6.686,903 5.056,904 2.264,907 2.269,908 1.335,909 0.967,910 5.255,911 9.031,912 3.497,913 4.043,914 4.505,915 4.982,916 5.47,917 5.495,918 5.75,919 6.154,920 6.417,921 6.714,922 1,923 31,924 8.464,926 3.57,927 0.026,929 7.901,931 15.874,933 12.705,936 2.401,937 55.222,941 164.795,942 94.774,943 19.91,944 78.297,945 47.145,948 94.774,949 290.237,950 19.91,952 12.405,953 47.381,954 53.702,955 48.535,956 11.577,957 153.024,958 78.297,959 164.795,960 114.684,961 47.145,962 78.297,964 117.711,965 94.229,968 21.452,969 76.446,970 95.083,972 164.795,973 67.055,974 173.072,977 164.795,978 38.346,979 59.553,981 142.228,982 164.795,983 67.055,984 173.072,986 0.58,987 0.33,988 0.17,989 0.085,990 16,991 7,992 0.103,993 4,995 1,996 3.646,997 173.17,999 17,1000 96.042,1005 16.367,1006 7.384,1007 4.28,1009 67.055,1010 9.686,1011 4.018,1015 2.013,1018 404.922,1019 32,1024 11.9,1028 -0.321,1031 38.018,1032 41.419,1034 0.346,1035 0.673,1036 0.774,1037 0.813,1038 0.834,1039 0.855,1040 4.718,1041 1,1042 5.572,1043 3.635,1044 4.234,1045 4.727,1046 2.456,1047 6.315,1048 4.05,1049 5.899,1050 0.795,1051 7.093,1052 2.275,1053 3.761,1054 4.46,1055 1.847,1056 7.05,1057 3.377,1058 7.182,1059 0.618,1060 8.706,1061 1.892,1062 5.771,1063 6.818,1064 3.559,1065 10.086,1066 5.408,1067 8.496,1068 0.423,1069 10.372,1070 1.372,1071 6.089,1072 7.302,1073 3.656,1074 11.602,1075 5.526,1076 9.836,1077 -0.048,1078 12.071,1079 1.017,1080 7.555,1081 9.167,1082 4.961,1083 14.129,1084 7.005,1085 11.194,1086 -0.513,1087 13.793,1088 -0.112,1089 8.238,1090 10.003,1091 5.37,1092 15.981,1093 7.501,1094 12.565,1095 -0.575,1096 15.53,1097 -1.242,1098 9.475,1099 11.65,1100 6.459,1101 18.311,1102 8.727,1103 2.9,1104 -1,1105 17.279,1106 -1.522,1107 10.338,1108 12.681,1109 7.028,1110 20.322,1111 9.423,1112 2.835,1113 8.88,1114 19.036,1115 -2.487,1116 11.471,1117 14.208,1118 7.994,1119 22.567,1120 10.521,1121 2.56,1122 8.7,1123 20.801,1124 3.902,1125 12.425,1126 15.358,1127 8.654,1128 24.658,1129 11.326,1130 2.215,1131 7.256,1132 22.572,1133 3.632,1134 13.51,1135 16.814,1136 9.549,1137 26.863,1138 12.357,1139 2,1140 6.404,1141 24.347,1142 3.121,1143 14.511,1144 18.038,1145 10.263,1146 28.994,1147 13.223,1148 1.64,1149 5.621,1150 26.126,1151 2.814,1152 15.575,1153 19.452,1154 11.116,1155 31.182,1156 14.217,1157 1.412,1158 3.925,1159 27.909,1160 2.599,1161 16.599,1162 20.721,1163 11.862,1164 33.333,1165 15.118,1166 6067,1167 11516,1168 16.701,1169 26.421,1170 36.834,1171 38.322,1172 37.509,1173 37.159,1174 36.797,1175 46.723,1176 7.706,1177 101.952,1178 33.302,1179 5.207,1180 5.788,1181 5.692,1182 4.914,1183 4.9,1184 6.902,1185 3.912,1186 15.2,1187 4.638,1188 10.572,1189 1.473,1190 1.533,1191 1.5,1192 1.486,1193 1.472,1194 1.869,1195 0.308,1196 4.078,1197 1.332,1198 3.954,1199 3.975,1200 4.084,1201 3.845,1202 7.433,1203 3.854,1204 3.844,1205 3.891,1206 3.853,1207 3.734,1208 5.131,1209 3.733,1210 3.792,1211 3.823,1212 3.707,1213 3.658,1214 4.848,1215 3.658,1216 3.257,1217 3.25,1218 3.584,1219 2.962,1220 4.639,1221 3.021,1222 2.977,1223 2.979,1224 3.21,1225 2.841,1226 4.459,1227 2.841,1228 2.869,1229 2.974,1230 3.039,1231 2.735,1232 4.281,1233 2.715,1234 2.854,1235 2.925,1236 2.726,1237 2.671,1238 4.146,1239 2.651,1240 2.805,1241 2.851,1242 2.687,1243 2.639,1244 3.772,1245 2.635,1246 0.17,1247 0.152,1248 0.244,1249 0.152,1250 0.116,1251 4.259,1252 0.156,1253 3.788,1254 0.088,1255 6.095,1256 0.355,1257 3.802,1258 0.106,1259 2.9,1260 3.902,1261 2.208,1262 8.88,1263 2.638,1264 1.877,1265 1.862,1266 1.971,1267 1.998,1268 1.211,1269 1.987,1270 1.764,1271 1.744,1272 1.86,1273 1.875,1274 1.044,1275 1.868,1276 1.577,1277 1.507,1278 1.797,1279 1.751,1280 0.969,1281 1.793,1282 1.477,1283 1.417,1284 1.689,1285 1.749,1286 0.889,1287 1.73,1288 0.951,1289 0.95,1290 1.181,1291 1.241,1292 0.218,1293 1.183,1294 0.886,1295 0.821,1296 1.06,1297 1.062,1298 0.096,1299 1.107,1300 0.798,1301 0.79,1302 0.963,1303 1.011,1304 0.094,1305 0.983,1306 0.682,1307 0.644,1308 0.883,1309 0.937,1310 0.02,1311 0.945,1312 3.932,1314 5.231,1315 2.398,1316 6.708,1317 4.443,1318 8.264,1319 6.293,1320 9.86,1323 11.793,1328 3.551,1330 10.887,1333 1.696,1340 25.53,1341 66.692,1342 129.63,1343 149.14,1344 156.75,1345 160.75,1346 164.75,1347 37.176,1348 6.763,1349 51.66,1350 51.66,1351 17,1352 12.082,1353 3.807,1354 3,1355 37.156,1356 92,1357 76,1358 0.202,1359 163.819,1360 286.79,1361 391.478,1362 7458,1363 5.4,1364 16.234,1365 0.706,1366 0.595,1367 17.234,1368 13.679,1369 11.114,1370 0.445,1371 0.317,1372 7.119,1373 10.053,1374 6.954,1375 5.716,1376 11.692,1377 7.93,1378 10.036,1379 0.295,1380 0.174,1381 10.815,1382 5.92,1383 8.121,1384 0.193,1385 0.092,1386 8.737,1387 3.859,1388 6.454,1389 0.127,1390 0.052,1391 7.135,1392 2.648,1393 4.723,1394 0.081,1395 0.023,1396 5.13,1397 1.343,1398 0.324,1399 76.275,1400 0.245,1401 23.083,1402 0.53,1403 118,1404 420.904,1405 164.245,1406 454.556,1407 593.67,1408 422,1409 135,1410 390.189,1411 172.729,1412 405.99,1413 594.59,1414 381,1415 4.301}
{0 CHEMBL236337,1 1.369,2 11.091,3 3.785,4 14.325,5 84.495,6 7.459,7 0.522,8 3.759,9 3.85,10 3.314,11 3.317,12 4.924,13 3.297,14 4.261,15 4.407,16 3.611,17 3.619,18 5.414,19 3.592,20 4.458,21 4.63,22 3.698,23 3.687,24 5.77,25 3.663,26 4.355,27 4.496,28 3.586,29 3.649,30 5.678,31 3.608,32 4.409,33 4.598,34 3.455,35 3.623,36 5.646,37 3.542,38 4.34,39 4.569,40 3.302,41 3.497,42 5.495,43 3.383,44 4.103,45 4.324,46 3.185,47 3.312,48 5.238,49 3.212,50 3.96,51 4.139,52 3.092,53 3.13,54 5.184,55 3.083,56 0.021,57 0.479,58 7.72,59 4.028,60 6.606,61 4.805,62 0.149,63 0.752,64 14.691,65 6.304,66 20.181,67 7.633,68 0.41,69 0.876,70 19.531,71 7.289,72 61.493,73 8.801,74 0.219,75 0.812,76 16.406,77 6.76,78 39.075,79 8.004,80 0.249,81 0.855,82 18.293,83 7.242,84 53.155,85 9.097,86 0.395,87 0.795,88 17.905,89 6.858,90 54.142,91 9.221,92 0.293,93 0.635,94 13.716,95 5.493,96 35.52,97 7.468,98 0.143,99 0.531,100 11.615,101 4.449,102 31.333,103 5.482,104 25,105 30,106 0.244,107 0.524,108 0.603,109 0.638,110 0.638,111 0.638,112 3.145,113 0.939,114 -4,115 -3.95,116 -3.75,121 45,122 2,127 2,144 8,145 2,146 2,159 2,176 8,180 8,187 8,191 1,192 10,200 5,206 10,214 8,219 4,227 12,231 2,239 10,243 2,244 2,251 4,256 6,269 6,277 2,281 680,282 14.93,283 14.93,284 14.93,285 14.93,286 14.93,287 13.363,288 12.531,289 9.075,290 15.317,291 11.232,292 11.232,293 11.232,294 11.232,295 11.232,296 8.735,297 12.217,298 4.114,299 11.647,300 3.953,301 2.38,302 1.938,303 1.738,304 1.738,305 1.738,306 3.807,310 1,311 1,312 1,313 498,314 3.464,318 162.781,325 1.752,326 28.06,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 48,338 244,339 4.396,340 3.837,341 6.528,342 4.079,343 3.047,344 3.951,345 0.86,346 10.031,347 3.14,348 4.049,349 3.016,350 5.737,351 3.628,352 2.649,353 3.659,354 0.86,355 7.763,356 2.6,357 3.809,358 2.865,359 5.343,360 3.402,361 2.453,362 3.234,364 6.944,365 2.322,366 3.522,367 2.817,368 5.261,369 3.153,370 2.192,371 2.824,373 6.613,374 2.089,375 2.957,376 2.031,377 4.481,378 2.51,379 1.515,380 2.073,382 4.109,383 1.493,384 2.5,385 1.997,386 3.414,387 2.051,388 1.129,389 1.5,391 2.275,392 1.026,393 2.5,394 1.443,395 3.414,396 2,397 1.032,398 1.5,400 2.275,401 1,402 2.365,403 1.443,404 3.411,405 2,406 1,407 1.234,409 2.035,410 1,411 2.156,412 1,413 3.149,414 1.965,415 1,416 1.128,418 1.805,419 0.951,420 2.107,421 1,422 3,423 1.617,424 0.527,425 0.799,427 1.127,428 0.566,429 1.094,430 0.212,431 2.277,432 0.778,433 -0.179,434 -0.208,436 -0.314,437 -0.169,438 1.093,439 0.148,440 2,441 0.749,442 -0.234,443 -0.29,445 -0.41,446 -0.227,447 0.5,448 -0.279,449 2,450 0.124,451 -0.853,452 -1.023,454 -1.576,455 -0.822,456 0.5,457 -0.602,458 1.871,459 0.123,460 -0.856,461 -1.076,463 -1.585,464 -0.834,465 0.415,466 -0.774,467 1.751,469 -1,470 -1.5,472 -3,473 -1,474 10.333,475 0.47,476 0.435,477 0.02,478 29,479 1.318,480 16,481 0.727,482 13,483 0.591,484 14.624,485 0.665,486 23.867,487 0.597,488 21.292,489 0.968,490 5.939,491 0.27,492 4.712,493 0.214,494 0.161,496 0.29,501 0.686,502 1.154,503 0.765,504 1.132,505 0.581,506 0.994,507 1.031,508 1.045,509 0.853,510 1.018,511 0.679,512 0.919,513 1.286,514 0.818,515 0.894,516 0.797,517 0.81,518 0.769,519 1.283,520 1.172,521 1.132,522 1.159,523 1.466,524 1.122,525 1.083,526 1.083,527 1.083,528 1.083,529 1.626,530 1.083,531 0.595,532 0.932,533 0.878,534 0.947,535 0.925,536 0.967,537 0.344,538 0.984,539 0.738,540 0.993,541 0.509,542 0.956,543 1.22,544 1.184,545 1.018,546 1.158,547 1.507,548 1.065,549 4,550 0.058,551 2.667,552 1.25,553 1.164,554 0.764,555 0.403,556 0.299,557 0.18,558 0.04,559 4851,560 13799,561 1.969,562 45,564 12,569 6,572 1.641,573 1.833,574 3.432,575 -0.807,577 1,579 1,582 54.76,583 1.369,584 2.941,585 3.384,586 3.584,587 3.584,588 3.584,589 2.914,590 3.096,591 4.421,592 3.535,593 816.632,594 7.581,595 9165.91,596 1,597 1,598 1,599 1,600 212.877,601 1.435,602 4.382,603 0.174,604 0.006,605 0.089,606 0.039,607 0.042,608 0.032,609 0.02,610 0.017,611 0.011,612 0.003,613 0.432,614 0.67,615 1,616 1.279,617 102.827,618 -0.008,619 -0.079,620 0.039,621 -0.067,622 -0.058,623 -0.015,624 -0.071,625 -0.027,626 0.063,627 -0.011,628 -0.006,629 0.043,630 -0.048,631 0.167,632 0.106,633 0.173,634 0.189,635 0.172,636 -0.172,637 -0.164,638 -0.195,639 -0.168,640 -0.09,641 -0.183,642 -0.12,643 -0.101,644 -0.126,645 -0.103,646 -0.173,647 -0.114,648 0.229,649 0.032,650 0.098,651 0.028,652 0.069,653 0.034,654 0.377,655 -0.01,656 0.213,657 -0.005,658 0.212,659 0.057,660 -0.093,661 -0.209,662 -0.032,663 -0.192,664 -0.123,665 -0.115,666 2.202,667 5.203,668 0.545,669 21.157,670 1.007,671 1.114,672 2.771,673 7.678,674 0.667,675 3.178,676 3.434,677 3.664,678 3.807,679 3.97,680 3.97,681 4.043,682 3.97,683 3.807,684 3.714,685 6.139,686 0.64,687 298.36,688 3.178,689 4.673,690 5.493,691 6.333,692 7.172,693 8.021,694 8.867,695 9.719,696 10.569,697 11.423,715 8,720 4,722 12,727 2,739 2,741 40,743 14,744 2,745 23,747 41,748 18,749 12,750 4,751 8,752 2,756 2,757 2,763 2,772 14,773 4,777 2,782 2,786 2,790 1,793 18,794 4,796 4,808 1,809 4,829 2,859 2,864 2,868 22,876 2,878 2,893 10,896 2,898 2,901 12,902 7.833,903 5.167,904 2.632,907 2.134,908 1.335,909 0.93,910 5.592,911 8.507,912 3.466,913 3.989,914 4.549,915 5.002,916 5.502,917 5.627,918 5.883,919 5.901,920 5.915,921 6.146,922 0.875,923 32,924 8.156,926 3.359,927 0.026,929 7.955,931 15.177,933 11.623,936 2.455,937 54,941 211.88,942 129.77,945 72.29,948 129.77,949 284.169,951 17.65,952 9.185,953 75.81,954 60.557,955 38.858,957 211.88,959 211.88,960 129.77,961 72.29,964 141.253,965 142.916,968 26.835,969 102.935,972 211.88,973 72.29,974 129.77,977 211.88,978 36.31,979 93.46,981 72.29,982 211.88,983 72.29,984 129.77,986 0.558,987 0.331,988 0.171,989 0.089,990 12,991 6,992 0.171,993 7,995 1,996 3.434,997 157.29,999 12,1000 68.107,1005 16.091,1006 7.646,1007 4.112,1009 72.29,1010 13.119,1015 2.046,1018 413.94,1019 31,1024 24.407,1028 -1.07,1031 40.262,1032 44.574,1034 0.257,1035 0.553,1036 0.636,1037 0.673,1038 0.673,1039 0.673,1040 4.654,1041 1,1042 5.451,1043 2.275,1044 4.111,1045 4.673,1046 1.376,1047 6.209,1048 4.073,1049 5.836,1050 1,1051 6.986,1052 2.035,1053 3.611,1054 4.369,1056 7.04,1057 3.611,1058 7.122,1059 0.527,1060 8.624,1061 1.805,1062 5.652,1063 6.804,1064 1.159,1065 10.098,1066 5.614,1067 8.447,1068 -0.179,1069 10.322,1070 1.127,1071 5.994,1072 7.312,1074 11.738,1075 6.019,1076 9.804,1077 -0.234,1078 12.058,1079 -0.314,1080 7.476,1081 9.201,1082 0.963,1083 14.317,1084 7.478,1085 11.183,1086 -0.853,1087 13.82,1088 -0.41,1089 8.2,1090 10.075,1092 16.295,1093 8.271,1094 12.579,1095 -0.856,1096 15.6,1097 -1.576,1098 9.451,1099 11.723,1100 0.787,1101 18.71,1102 9.521,1103 3.047,1104 -1,1105 17.395,1106 -1.585,1107 10.361,1108 12.79,1110 20.85,1111 10.496,1112 2.649,1113 10.031,1114 19.202,1115 -3,1116 11.515,1117 14.314,1118 0.634,1119 23.202,1120 11.667,1121 2.453,1122 7.763,1123 21.018,1124 3.951,1125 12.518,1126 15.494,1128 25.422,1129 12.727,1130 2.192,1131 6.944,1132 22.842,1133 3.659,1134 13.634,1135 16.948,1136 0.504,1137 27.748,1138 13.871,1139 1.515,1140 6.613,1141 24.674,1142 3.234,1143 14.685,1144 18.197,1146 30.01,1147 14.971,1148 1.129,1149 4.109,1150 26.511,1151 2.824,1152 15.788,1153 19.611,1154 0.395,1155 32.324,1156 16.108,1157 1.032,1158 2.275,1159 28.354,1160 2.073,1161 16.864,1162 20.902,1164 34.606,1165 17.228,1166 4975,1167 8514,1168 14.909,1169 26.671,1170 33.766,1171 35.734,1172 35.301,1173 33.158,1174 33.087,1175 43.805,1176 3.44,1177 89.955,1178 32.374,1179 5.228,1180 5.837,1181 6.298,1182 5.079,1183 5.047,1184 6.951,1185 1.72,1186 17.16,1187 5.14,1188 11.82,1189 1.468,1190 1.554,1191 1.535,1192 1.442,1193 1.439,1194 1.905,1195 0.15,1196 3.911,1197 1.408,1198 3.99,1199 4.001,1200 3.947,1201 3.911,1202 7.497,1203 3.916,1204 3.87,1205 3.889,1206 3.812,1207 3.798,1208 7.352,1209 3.797,1210 3.531,1211 3.572,1212 3.445,1213 3.319,1214 4.85,1215 3.338,1216 3.455,1217 3.526,1218 3.268,1219 3.253,1220 4.82,1221 3.242,1222 3.322,1223 3.342,1224 3.175,1225 3.146,1226 4.336,1227 3.15,1228 2.88,1229 2.925,1230 2.792,1231 2.735,1232 4.317,1233 2.734,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 3.71,1239 2.715,1240 2.854,1241 2.901,1242 2.687,1243 2.723,1244 3.681,1245 2.715,1246 0.191,1247 0.167,1248 0.284,1249 0.177,1250 0.132,1251 4.396,1252 0.172,1253 3.837,1254 0.037,1255 6.528,1256 0.436,1257 4.079,1258 0.137,1259 3.047,1260 3.951,1261 0.86,1262 10.031,1263 3.14,1264 1.939,1265 1.926,1266 2.027,1267 2.035,1268 1.114,1269 2.031,1270 1.858,1271 1.838,1272 1.969,1273 1.957,1274 1.057,1275 1.961,1276 1.478,1277 1.424,1278 1.791,1279 1.722,1280 0.929,1281 1.742,1282 1.455,1283 1.381,1284 1.781,1285 1.687,1286 0.92,1287 1.721,1288 1.247,1289 1.233,1290 1.326,1291 1.456,1292 0.326,1293 1.415,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.818,1307 0.795,1308 1.049,1309 1.042,1310 0.142,1311 1.036,1312 3.85,1314 5.118,1316 6.594,1318 8.159,1320 9.767,1322 3.767,1328 1.108,1330 10.623,1340 25.6,1341 54.76,1342 117.658,1343 135.367,1344 143.367,1345 143.367,1346 143.367,1347 49.627,1348 6.373,1349 52.6,1350 52.6,1351 12,1352 11.979,1353 3.907,1354 3.17,1355 42.463,1356 79,1357 88,1358 0.265,1359 161.212,1360 287.48,1361 385.116,1362 4169,1364 15.949,1365 0.725,1366 0.576,1367 15.949,1368 12.666,1369 10.651,1370 0.463,1371 0.313,1372 7.106,1373 10.221,1374 6.901,1375 5.76,1376 10.651,1377 7.201,1378 8.857,1379 0.295,1380 0.152,1381 8.857,1382 4.573,1383 7.493,1384 0.197,1385 0.081,1386 7.493,1387 3.061,1388 5.68,1389 0.129,1390 0.045,1391 5.68,1392 2.001,1393 4.225,1394 0.081,1395 0.024,1396 4.225,1397 1.251,1398 0.419,1399 66.88,1400 0.259,1401 22.081,1402 0.711,1403 106,1404 368.942,1405 117.293,1406 344.098,1407 458.42,1408 322,1409 121,1410 322.182,1411 131.742,1412 321.46,1413 468.76,1414 304,1415 4}
{0 CHEMBL236340,1 1.746,2 10,3 2.909,4 8.461,5 76.722,6 10.008,7 0.522,8 3.546,9 3.608,10 3.328,11 3.106,12 5.037,13 3.145,14 3.967,15 4.027,16 3.669,17 3.454,18 5.701,19 3.496,20 4.216,21 4.328,22 3.766,23 3.533,24 5.876,25 3.581,26 4.284,27 4.405,28 3.631,29 3.375,30 5.964,31 3.45,32 4.055,33 4.167,34 3.372,35 3.144,36 5.697,37 3.221,38 3.705,39 3.791,40 3.254,41 3.035,42 5.267,43 3.082,44 3.815,45 3.923,46 3.341,47 3.002,48 5.84,49 3.044,50 3.699,51 3.85,52 3.142,53 2.765,54 5.716,55 2.812,56 0.263,57 0.416,58 2.358,59 2.377,60 40.555,61 2.123,62 0.477,63 0.6,64 3.884,65 3.946,66 107.999,67 3.387,68 0.624,69 0.754,70 7.794,71 4.948,72 118.444,73 4.621,74 0.907,75 0.717,76 11.447,77 5.105,78 179.334,79 3.835,80 0.831,81 0.538,82 10.445,83 4.115,84 185.333,85 2.78,86 0.412,87 0.435,88 4.214,89 2.885,90 83.11,91 2.308,92 0.615,93 0.462,94 6.238,95 3.278,96 132.889,97 3.502,98 0.587,99 0.407,100 7.651,101 2.955,102 134.666,103 3.594,104 41,105 32,106 0.322,107 0.499,108 0.548,109 0.597,110 0.597,111 0.597,112 3.146,113 0.78,114 -4.14,115 -4.09,116 -3.87,121 46.7,144 8,145 2,146 2,159 2,168 4,176 8,179 2,180 6,187 8,191 1,192 18,200 5,206 18,214 4,219 8,227 8,231 2,239 8,243 6,244 2,251 4,255 4,256 8,269 12,281 648,282 14.19,283 14.19,284 14.19,285 14.19,286 14.19,287 12.014,288 11.654,289 8.138,290 14.255,291 11.237,292 11.237,293 11.237,294 11.237,295 11.237,296 7.909,297 10.876,298 3.764,299 11.285,300 3.16,301 2.2,302 1.933,303 1.667,304 1.667,305 1.667,306 3.799,310 1,311 1,312 1,313 448,314 3.742,318 162.165,325 1.636,326 48.151,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 51,338 220,339 4.417,340 3.841,341 6.529,342 4.084,343 3.055,344 4.046,345 2.612,346 10.037,347 3.143,348 4.257,349 3.778,350 5.95,351 3.76,352 2.782,353 3.956,354 2.612,355 8.296,356 2.722,357 4.16,358 3.773,359 5.908,360 3.658,361 2.681,362 3.706,364 8.118,365 2.611,366 3.797,367 2.983,368 5.646,369 3.341,370 2.343,371 3.282,373 7.333,374 2.332,375 3.282,376 2.288,377 4.558,378 2.676,379 1.656,380 2.572,382 4.343,383 1.682,384 2.986,385 2.243,386 3.858,387 2.295,388 1.287,389 2.108,391 3.023,392 1.295,393 2.709,394 1.687,395 3.72,396 2.077,397 1.064,398 1.7,400 2.66,401 1.075,402 2.5,403 1.682,404 3.414,405 2,406 1,407 1.5,409 2.275,410 1,411 2.5,412 1,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.251,421 1,422 3.176,423 1.578,424 0.471,425 0.781,427 1.102,428 0.516,429 1,430 1,431 2.283,432 0.49,433 -0.516,434 -0.722,436 -1.19,437 -0.516,438 1,439 1,440 2,441 0.476,442 -0.552,443 -0.831,445 -1.239,446 -0.566,447 0.959,448 0.036,449 2,451 -1,452 -1.5,454 -2,455 -1,456 0.959,457 -0.148,458 1.874,460 -1,461 -1.5,463 -2,464 -1,465 0.5,466 -0.542,467 1.76,469 -1,470 -1.905,472 -3,473 -1,474 9.8,475 0.445,476 0.689,477 0.031,478 34.5,479 1.568,480 21,481 0.955,482 13.5,483 0.614,484 10.721,485 0.487,486 23.2,487 0.773,488 26.75,489 1.216,490 7.138,491 0.324,492 3.259,493 0.148,494 0.204,496 0.388,501 0.31,502 0.796,503 0.503,504 0.776,505 0.534,506 0.783,507 0.501,508 1.129,509 0.66,510 1.12,511 0.5,512 1.045,513 0.712,514 1.168,515 0.82,516 1.207,517 0.604,518 1.117,519 1.407,520 0.975,521 1.327,522 1.063,523 1.323,524 1.108,525 1.675,526 0.749,527 1.442,528 0.759,529 1.698,530 0.895,531 0.913,532 1.051,533 1.043,534 1.11,535 1.038,536 1.156,537 0.35,538 1.029,539 0.768,540 1.135,541 0.45,542 1.197,543 0.377,544 1.125,545 0.649,546 1.045,547 0.344,548 1.03,549 5,550 0.074,551 3.556,552 1.75,553 1.244,554 0.833,555 0.405,556 0.299,557 0.23,558 0.12,559 4683,560 23067,561 1.919,562 26.7,564 8,572 1.641,573 1.737,574 3.308,575 -0.627,577 1,579 1,582 52.394,583 1.746,584 2.707,585 2.974,586 3.24,587 3.24,588 3.24,589 2.732,590 2.914,591 4.427,592 3.455,593 798.213,594 7.589,595 8886.47,596 1,597 1,598 1,599 1,600 147.207,601 1.573,602 4.349,603 0.217,604 0.007,605 0.111,606 0.051,607 0.044,608 0.038,609 0.02,610 0.015,611 0.014,612 0.009,613 0.528,614 0.33,615 1,616 1.028,617 102.199,618 0.276,619 0.319,620 0.053,621 0.181,622 0.001,623 0.031,624 0.174,625 -0.128,626 -0.011,627 -0.122,628 0.166,629 -0.16,630 0.023,631 -0.178,632 0.059,633 -0.223,634 0.106,635 -0.111,636 -0.376,637 -0.063,638 -0.25,639 -0.078,640 -0.279,641 -0.073,642 -0.52,643 0.115,644 -0.32,645 0.249,646 -0.499,647 0.148,648 -0.081,649 -0.07,650 -0.224,651 -0.132,652 -0.219,653 -0.231,654 0.567,655 -0.091,656 0.255,657 -0.143,658 0.447,659 -0.153,660 0.559,661 -0.219,662 0.588,663 -0.039,664 0.573,665 0.162,666 2.619,667 4.992,668 0.545,669 19.306,670 1.061,671 1.117,672 2.914,673 8.489,674 0.701,675 3.178,676 3.497,677 3.714,678 3.807,679 3.97,680 4.043,681 4.111,682 3.892,683 3.807,684 3.714,685 5.918,686 0.73,687 300.24,688 3.178,689 4.71,690 5.541,691 6.395,692 7.244,693 8.1,694 8.954,695 9.812,696 10.668,697 11.527,698 6.7,709 2,715 8,720 4,722 12,727 2,735 2,741 30,743 18,744 2,745 23,747 31,748 14,749 12,750 4,751 8,752 2,756 2,757 2,772 14,777 6,779 2,782 6,786 2,789 1,790 1,793 8,794 6,796 8,802 2,808 1,809 6,829 2,859 2,868 22,893 20,896 2,899 4,901 12.667,902 5.567,903 4.889,904 1.615,907 2.496,908 1.392,909 0.929,910 4.28,911 8.869,912 3.584,913 4.19,914 4.705,915 5.134,916 5.623,917 5.901,918 6.287,919 6.031,920 6.113,921 6.411,922 0.857,923 34,924 8.132,926 3.612,927 0.026,929 8.773,931 13.986,933 10.932,936 3.273,937 72,941 94.169,942 97.962,943 11.34,945 151.784,948 97.962,949 245.952,950 11.34,951 11.34,953 75.81,954 60.557,955 11.885,957 94.169,958 101.494,959 94.169,960 109.302,961 151.784,964 94.169,965 50.29,966 101.494,969 97.962,970 11.34,972 94.169,973 163.124,974 97.962,977 94.169,978 22.152,979 87.15,981 151.784,982 94.169,983 163.124,984 97.962,986 0.592,987 0.345,988 0.153,989 0.076,990 14,991 8,992 0.161,993 5,995 1,996 3.329,997 160.962,999 12,1000 64.107,1005 15.326,1006 6.144,1007 3.35,1009 151.784,1010 9.223,1015 -0.374,1018 355.254,1019 35,1021 -1.237,1024 66.076,1028 -1.687,1031 31.818,1032 33.499,1034 0.356,1035 0.552,1036 0.606,1037 0.66,1038 0.66,1039 0.66,1040 4.796,1041 1,1042 5.549,1043 2.66,1044 4.174,1045 4.875,1046 3.153,1047 6.344,1048 4.174,1049 6.037,1050 1,1051 7.124,1052 2.275,1053 3.892,1054 4.844,1055 3.006,1056 7.273,1057 3.892,1058 7.362,1059 0.471,1060 8.797,1061 2.275,1062 5.771,1063 7.101,1064 4.84,1065 10.295,1066 5.771,1067 8.722,1068 -0.516,1069 10.525,1070 1.102,1071 6.256,1072 7.829,1073 5.194,1074 11.976,1075 6.271,1076 10.107,1077 -0.552,1078 12.284,1079 -1.19,1080 7.652,1081 9.591,1082 6.64,1083 14.532,1084 7.668,1085 11.511,1086 -1,1087 14.064,1088 -1.239,1089 8.456,1090 10.64,1091 7.248,1092 16.517,1093 8.499,1094 12.928,1095 -1,1096 15.858,1097 -2,1098 9.665,1099 12.205,1100 8.487,1101 18.908,1102 9.716,1103 3.055,1104 -1,1105 17.662,1106 -2,1107 10.615,1108 13.405,1109 9.241,1110 21.038,1111 10.697,1112 2.782,1113 10.037,1114 19.474,1115 -3,1116 11.747,1117 14.88,1118 10.363,1119 23.366,1120 11.847,1121 2.681,1122 8.296,1123 21.292,1124 4.046,1125 12.766,1126 16.158,1127 11.202,1128 25.57,1129 12.9,1130 2.343,1131 8.118,1132 23.115,1133 3.956,1134 13.868,1135 17.587,1136 12.256,1137 27.876,1138 14.027,1139 1.656,1140 7.333,1141 24.942,1142 3.706,1143 14.922,1144 18.909,1145 13.145,1146 30.122,1147 15.117,1148 1.287,1149 4.343,1150 26.773,1151 3.282,1152 16.015,1153 20.315,1154 14.161,1155 32.421,1156 16.24,1157 1.064,1158 3.023,1159 28.608,1160 2.572,1161 17.088,1162 21.661,1163 15.079,1164 34.69,1165 17.35,1166 4821,1167 10806,1168 14.334,1169 21.023,1170 35.281,1171 38.357,1172 36.695,1173 34.764,1174 34.677,1175 50.3,1176 10.45,1177 98.923,1178 34.754,1179 5.242,1180 5.841,1181 5.943,1182 5.084,1183 5.055,1184 7.046,1185 4.612,1186 17.17,1187 5.143,1188 14.379,1189 1.534,1190 1.668,1191 1.595,1192 1.511,1193 1.508,1194 2.187,1195 0.454,1196 4.301,1197 1.511,1198 4.037,1199 4.055,1200 4.004,1201 3.928,1202 7.818,1203 3.938,1204 3.953,1205 3.978,1206 3.919,1207 3.826,1208 7.812,1209 3.835,1210 3.636,1211 3.636,1212 3.634,1213 3.313,1214 7.496,1215 3.381,1216 3.466,1217 3.482,1218 3.441,1219 3.037,1220 7.352,1221 3.138,1222 3.186,1223 3.182,1224 3.148,1225 2.766,1226 6.999,1227 2.882,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 6.999,1233 2.715,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 4.673,1239 2.715,1240 2.668,1241 2.67,1242 2.624,1243 2.362,1244 4.639,1245 2.44,1246 0.192,1247 0.167,1248 0.284,1249 0.178,1250 0.133,1251 4.417,1252 0.176,1253 3.841,1254 0.114,1255 6.529,1256 0.436,1257 4.084,1258 0.137,1259 3.055,1260 4.046,1261 2.612,1262 10.037,1263 3.143,1264 1.961,1265 1.944,1266 2.042,1267 2.105,1268 1.124,1269 2.072,1270 1.892,1271 1.868,1272 1.986,1273 2.066,1274 1.066,1275 2.023,1276 1.399,1277 1.397,1278 1.423,1279 1.77,1280 0.379,1281 1.655,1282 1.177,1283 1.157,1284 1.224,1285 1.627,1286 0.218,1287 1.521,1288 0.925,1289 0.918,1290 1.181,1291 1.327,1292 0.218,1293 1.245,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.152,1299 1.107,1300 0.886,1301 0.821,1302 0.99,1303 1.062,1305 1.107,1306 0.509,1307 0.494,1308 0.697,1309 0.812,1311 0.779,1312 3.85,1314 5.165,1316 6.673,1318 8.257,1320 9.878,1340 21.912,1341 52.394,1342 81.207,1343 89.207,1344 97.207,1345 97.207,1346 97.207,1347 73.26,1348 6.373,1349 125.78,1350 125.78,1351 12,1352 12.078,1353 4.248,1354 3.7,1355 42.439,1356 77,1357 70,1358 0.274,1359 138.568,1360 252.58,1361 329.867,1362 4063,1364 16.276,1365 0.74,1366 0.498,1367 16.276,1368 10.963,1369 10.397,1370 0.452,1371 0.26,1372 5.863,1373 9.773,1374 5.792,1375 4.798,1376 10.397,1377 5.978,1378 9.556,1379 0.299,1380 0.133,1381 9.556,1382 4.266,1383 7.835,1384 0.196,1385 0.072,1386 7.835,1387 2.887,1388 5.533,1389 0.126,1390 0.039,1391 5.533,1392 1.731,1393 3.973,1394 0.076,1395 0.021,1396 3.973,1397 1.098,1398 0.431,1399 67.333,1400 0.264,1401 21.885,1402 0.744,1403 110,1404 511.703,1405 126.561,1406 480.574,1407 607.9,1408 434,1409 127,1410 426.003,1411 143.4,1412 417.416,1413 595.44,1414 388,1415 4}
{0 CHEMBL237189,1 1.874,2 12.462,3 3.378,4 11.412,5 85.106,6 8.984,7 0.429,8 3.862,9 3.945,10 3.56,11 3.295,12 5.104,13 3.356,14 4.429,15 4.558,16 3.997,17 3.623,18 6.156,19 3.687,20 4.579,21 4.744,22 3.916,23 3.697,24 5.863,25 3.735,26 4.59,27 4.772,28 3.803,29 3.547,30 6.05,31 3.598,32 4.359,33 4.535,34 3.635,35 3.447,36 5.76,37 3.475,38 4.181,39 4.33,40 3.525,41 3.489,42 5.534,43 3.448,44 4.285,45 4.495,46 3.423,47 3.48,48 5.399,49 3.397,50 4.242,51 4.471,52 3.417,53 3.224,54 5.48,55 3.225,56 0.31,57 0.77,58 5.523,59 3.867,60 36.757,61 3.767,62 1.233,63 1.481,64 14.603,65 5.964,66 153.986,67 6.034,68 0.992,69 1.226,70 18.744,71 7.19,72 76.981,73 7.806,74 1.358,75 1.201,76 22.163,77 6.809,78 148.293,79 6.914,80 1.091,81 0.93,82 17.312,83 5.494,84 114.62,85 5.913,86 0.735,87 0.796,88 10.73,89 5.356,90 58.631,91 6.206,92 0.644,93 0.866,94 14.754,95 6.514,96 56.996,97 8.506,98 0.709,99 0.863,100 16.543,101 5.634,102 63.542,103 7.135,104 18,105 39,106 0.332,107 0.638,108 0.732,109 0.773,110 0.79,111 0.808,112 3.303,113 0.833,114 -3.87,115 -3.83,116 -3.63,121 41.5,127 4,134 1,144 6,145 1,146 2,147 1,149 1,161 1,176 4,179 4,180 7,187 3,191 1,192 6,200 2,206 7,214 2,218 3,219 6,227 4,239 4,243 3,244 3,251 2,256 3,268 2,269 3,281 1012,282 17.126,283 17.126,284 17.126,285 17.126,286 17.126,287 15.587,288 22.244,289 10.123,290 17.94,291 13.835,292 13.835,293 13.835,294 13.835,295 13.835,296 11.484,297 24.948,298 4.846,299 15.216,300 3.484,301 1.754,302 1.226,303 0.994,304 0.896,305 0.799,306 3.983,310 1,311 1,312 1,313 686,314 3.674,318 294.823,325 2.195,326 48.753,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 61.5,338 324,339 4.44,340 4.46,341 7.111,342 4.168,343 3.314,344 3.846,345 3.825,346 11.657,347 2.856,348 4.114,349 3.788,350 6.051,351 3.769,352 2.843,353 3.655,354 2.208,355 8.696,356 2.62,357 3.94,358 3.074,359 5.613,360 3.603,361 2.68,362 3.203,363 0.86,364 7.77,365 2.477,366 3.757,367 2.72,368 5.323,369 3.34,370 2.415,371 3.062,372 0.86,373 6.901,374 2.2,375 3.382,376 2.531,377 4.984,378 2.993,379 2.069,380 2.637,381 0.655,382 5.948,383 1.895,384 2.919,385 2.314,386 4.557,387 2.628,388 1.709,389 2.016,390 0.13,391 4.611,392 1.55,393 2.876,394 1.934,395 4.184,396 2.464,397 1.555,398 1.885,400 3.909,401 1.374,402 2.5,403 1.904,404 3.45,405 2,406 1.04,407 1.5,409 2.486,410 1,411 2.5,412 1.256,413 3.414,414 1.959,415 1,416 1.5,418 2.275,419 0.956,420 2.185,421 1,422 3.414,423 1.952,424 1,425 1.129,427 2.275,428 0.946,429 2,430 1,431 3.247,432 1.933,433 1,434 1,436 2.136,437 0.912,438 1.547,439 0.909,440 3.036,441 1.168,442 0.259,443 0.316,445 0.655,446 0.232,447 1.128,448 0.51,449 2.71,450 0.719,451 -0.205,452 -0.254,454 -0.516,455 -0.187,456 0.704,457 0.51,458 2.524,459 0.263,460 -0.661,461 -0.741,463 -1.576,464 -0.602,465 0.5,466 0.45,467 2,468 0.227,469 -0.768,470 -0.946,472 -1.75,473 -0.7,474 11.49,475 0.442,476 0.757,477 0.029,478 32.25,479 1.24,480 14.5,481 0.558,482 17.75,483 0.683,484 18.451,485 0.71,486 29.91,487 0.73,488 26.207,489 1.008,490 6.853,491 0.264,492 5.562,493 0.214,494 0.104,495 0.044,496 0.252,498 3,501 0.692,502 1.103,503 0.587,504 1.264,505 0.597,506 1.001,507 0.648,508 0.715,509 0.755,510 0.937,511 0.402,512 0.919,513 0.91,514 0.895,515 0.898,516 1.067,517 0.596,518 1.011,519 1.29,520 0.864,521 1.187,522 0.917,523 1.231,524 0.974,525 0.976,526 0.698,527 0.999,528 0.666,529 1.095,530 0.781,531 0.35,532 0.657,533 0.912,534 1.123,535 0.439,536 1.282,537 0.302,538 0.749,539 0.754,540 1.215,541 0.31,542 1.268,543 0.746,544 1.017,545 0.685,546 1.128,547 0.576,548 0.973,549 6.5,550 0.136,551 2.889,552 1.438,553 1.196,554 0.694,555 0.363,556 0.378,557 0.23,558 0.17,559 8986,560 36309,561 2.027,562 36.6,564 14,566 1,572 1.682,573 1.891,574 3.579,575 -0.646,576 1,577 1,582 76.815,583 1.874,584 3.603,585 4.132,586 4.364,587 4.461,588 4.559,589 3.123,590 3.95,591 4.671,592 3.804,593 1236.41,594 8.046,595 16414.6,596 1,597 1,599 1,600 219.66,601 1.542,602 4.619,603 0.232,604 0.009,605 0.074,606 0.039,607 0.039,608 0.025,609 0.015,610 0.017,611 0.011,612 0.009,613 0.469,614 0.33,615 1,616 0.777,617 130.922,618 -0.064,619 -0.179,620 0.042,621 -0.188,622 -0.078,623 -0.067,624 0.271,625 0.275,626 0.083,627 0.041,628 0.396,629 -0.024,630 -0.124,631 -0.153,632 -0.002,633 -0.112,634 0.006,635 -0.028,636 -0.226,637 0.041,638 -0.161,639 0.017,640 -0.157,641 -0.024,642 -0.073,643 0.067,644 -0.034,645 0.267,646 -0.153,647 0.19,648 0.247,649 0.112,650 -0.141,651 -0.095,652 0.091,653 -0.264,654 0.24,655 -0.088,656 0.153,657 -0.19,658 0.132,659 -0.126,660 0.033,661 -0.285,662 0.371,663 -0.155,664 0.106,665 0.146,666 5.697,667 4.971,668 0.692,669 27.988,670 1.052,671 1.151,672 2.638,673 6.957,674 0.652,675 3.367,676 3.689,677 3.85,678 4.007,679 4.205,680 4.174,681 4.263,682 4.317,683 4.344,684 4.394,685 7.441,686 0.665,687 368.34,688 3.367,689 4.905,690 5.72,691 6.581,692 7.41,693 8.269,694 9.104,695 9.962,696 10.799,697 11.656,698 4.9,705 1,708 1,715 7,716 1,720 4,722 12,737 1,739 1,741 41,743 13,744 1,745 28,747 43,748 17,749 11,750 2,751 4,756 3,757 3,763 1,769 1,772 12,773 5,777 1,782 1,786 1,789 1,790 1,791 3,793 15,794 9,796 9,802 2,808 1,809 4,822 1,829 3,858 1,859 3,866 3,868 26,876 4,878 3,881 1,882 1,892 3,893 9.8,896 1,897 1,898 2,901 13.75,902 7.329,903 5.611,904 2.328,907 2.245,908 1.318,909 0.954,910 5.645,911 9.297,912 3.584,913 4.111,914 4.549,915 5.009,916 5.518,917 5.595,918 5.909,919 6.216,920 6.483,921 6.808,922 1,923 37,924 10.037,926 4.697,927 0.026,929 8.426,931 17.31,933 13.689,936 2.926,937 76.083,940 1,941 176.567,942 112.31,943 19.91,945 58.145,946 44.88,948 112.31,949 234.711,950 64.79,952 16.52,953 56.857,954 64.701,955 89.6,956 11.577,957 164.795,958 7.76,959 176.567,960 132.22,961 103.025,964 176.567,965 92.025,966 11,968 33.327,969 82.107,970 16.786,972 221.447,973 78.054,974 112.31,977 184.326,978 38.646,979 69.029,981 119.81,982 176.567,983 122.935,984 112.31,986 0.588,987 0.32,988 0.155,989 0.083,990 18,991 8,992 0.093,993 4,995 1,996 3.895,997 203.144,999 18,1000 109.457,1005 18.491,1006 7.937,1007 5.105,1009 122.935,1010 8.835,1011 3.626,1015 -0.149,1018 411.811,1019 35,1024 11.971,1028 -0.466,1031 43.12,1032 47.175,1034 0.35,1035 0.673,1036 0.771,1037 0.814,1038 0.833,1039 0.851,1040 4.828,1041 1.04,1042 5.733,1043 3.909,1044 4.369,1045 4.796,1046 3.496,1047 6.526,1048 4.187,1049 6.022,1050 1,1051 7.294,1052 2.486,1053 4.111,1054 4.575,1055 4.006,1056 7.644,1057 3.722,1058 7.323,1059 1,1060 8.968,1061 2.275,1062 6.009,1063 6.866,1064 5.565,1065 10.587,1066 5.617,1067 8.655,1068 1,1069 10.713,1070 2.275,1071 6.538,1072 7.367,1073 6.735,1074 12.531,1075 5.917,1076 10.018,1077 0.259,1078 12.506,1079 2.136,1080 7.968,1081 9.205,1082 8.102,1083 15.092,1084 7.323,1085 11.4,1086 -0.205,1087 14.333,1088 0.655,1089 8.844,1090 10.038,1091 9.406,1092 17.349,1093 7.978,1094 12.799,1095 -0.661,1096 16.186,1097 -0.516,1098 10.1,1099 11.667,1100 10.748,1101 19.816,1102 9.172,1103 3.314,1104 -0.768,1105 18.06,1106 -1.576,1107 11.136,1108 12.684,1109 12.081,1110 22.193,1111 10.004,1112 2.843,1113 11.657,1114 19.95,1115 -1.75,1116 12.33,1117 14.198,1118 13.421,1119 24.641,1120 11.1,1121 2.68,1122 8.696,1123 21.853,1124 3.846,1125 13.442,1126 15.326,1127 14.76,1128 27.065,1129 12.023,1130 2.415,1131 7.77,1132 23.767,1133 3.655,1134 14.619,1135 16.772,1136 16.101,1137 29.512,1138 13.077,1139 2.069,1140 6.901,1141 25.689,1142 3.203,1143 15.767,1144 17.972,1145 17.442,1146 31.954,1147 14.048,1148 1.709,1149 5.948,1150 27.618,1151 3.062,1152 16.942,1153 19.375,1154 18.783,1155 34.404,1156 15.084,1157 1.555,1158 4.611,1159 29.553,1160 2.637,1161 18.109,1162 20.622,1163 20.125,1164 36.853,1165 16.082,1166 8724,1167 17764,1168 18.375,1169 26.733,1170 42.316,1171 41.848,1172 41.91,1173 42.011,1174 41.767,1175 51.499,1176 17.076,1177 118.64,1178 38.037,1179 5.44,1180 6.46,1181 6.913,1182 5.272,1183 5.314,1184 6.846,1185 5.529,1186 18.535,1187 4.856,1188 13.515,1189 1.511,1190 1.495,1191 1.497,1192 1.5,1193 1.492,1194 1.839,1195 0.61,1196 4.237,1197 1.358,1198 3.961,1199 3.982,1200 3.922,1201 3.843,1202 8.513,1203 3.855,1204 3.849,1205 3.88,1206 3.808,1207 3.736,1208 7.999,1209 3.746,1210 3.772,1211 3.818,1212 3.675,1213 3.549,1214 7.999,1215 3.571,1216 3.327,1217 3.354,1218 3.344,1219 3.008,1220 7.433,1221 3.074,1222 3.234,1223 3.233,1224 3.193,1225 2.941,1226 5.004,1227 2.965,1228 3.111,1229 3.206,1230 2.866,1231 2.892,1232 4.768,1233 2.91,1234 2.856,1235 2.925,1236 2.803,1237 2.735,1238 4.613,1239 2.715,1240 2.854,1241 2.88,1242 2.687,1243 2.619,1244 4.321,1245 2.652,1246 0.159,1247 0.159,1248 0.254,1249 0.149,1250 0.118,1251 4.44,1252 0.137,1253 4.46,1254 0.137,1255 7.111,1256 0.416,1257 4.168,1258 0.102,1259 3.314,1260 3.846,1261 3.825,1262 11.657,1263 2.856,1264 1.885,1265 1.867,1266 1.98,1267 2.023,1268 1.19,1269 2.005,1270 1.801,1271 1.773,1272 1.913,1273 1.969,1274 1.043,1275 1.95,1276 1.695,1277 1.641,1278 1.889,1279 1.905,1280 0.959,1281 1.902,1282 1.153,1283 1.088,1284 1.513,1285 1.448,1286 0.825,1287 1.429,1288 1.092,1289 1.064,1290 1.188,1291 1.38,1292 0.267,1293 1.347,1294 1.008,1295 0.995,1296 1.181,1297 1.376,1298 0.219,1299 1.285,1300 0.886,1301 0.821,1302 1.146,1303 1.062,1304 0.218,1305 1.107,1306 0.753,1307 0.71,1308 1,1309 1.024,1310 0.058,1311 1.011,1312 4.043,1314 5.361,1316 6.864,1318 8.438,1320 10.047,1324 37.491,1328 1.892,1330 15.788,1333 1.542,1334 -4.447,1340 27.266,1341 76.815,1342 147.743,1343 169.395,1344 178.905,1345 182.905,1346 186.905,1347 56.867,1348 7.053,1349 60.89,1350 60.89,1351 18,1352 12.213,1353 3.807,1354 3,1355 44.809,1356 118,1357 98,1358 0.186,1359 164.336,1360 300.67,1361 392.741,1362 11104,1363 7.3,1364 18.571,1365 0.714,1366 0.52,1367 16.071,1368 13.531,1369 12.415,1370 0.443,1371 0.278,1372 7.544,1373 11.499,1374 7.51,1375 6.112,1376 11.204,1377 7.774,1378 11.817,1379 0.303,1380 0.139,1381 9.859,1382 5.424,1383 8.864,1384 0.193,1385 0.078,1386 7.928,1387 3.584,1388 6.86,1389 0.127,1390 0.041,1391 6.161,1392 2.216,1393 5.439,1394 0.082,1395 0.021,1396 5.174,1397 1.417,1398 0.303,1399 80.978,1400 0.233,1401 25.843,1402 0.478,1403 134,1404 684.566,1405 169.102,1406 555.919,1407 715.4,1408 516,1409 152,1410 493.1,1411 179.708,1412 468.122,1413 703.84,1414 438,1415 4.301}
{0 CHEMBL237870,1 1.3,2 11.324,3 3.455,4 11.938,5 135.744,6 5.885,8 4.439,9 4.576,10 3.805,11 3.96,12 5.289,13 3.889,14 5.114,15 5.317,16 4.294,17 4.495,18 5.849,19 4.401,20 5.541,21 5.747,22 4.583,23 4.859,24 6.325,25 4.742,26 5.876,27 6.129,28 4.602,29 5.02,30 6.638,31 4.854,32 5.964,33 6.251,34 4.494,35 4.987,36 6.723,37 4.792,38 5.874,39 6.183,40 4.285,41 4.839,42 6.629,43 4.621,44 5.64,45 5.944,46 4.154,47 4.659,48 6.355,49 4.456,50 5.495,51 5.779,52 4.05,53 4.535,54 6.268,55 4.335,56 0.097,57 1.116,58 20.627,59 8.734,60 13.143,61 12.283,62 0.302,63 1.993,64 39.38,65 15.793,66 24.926,67 22.592,68 0.406,69 2.957,70 60.169,71 23.612,72 49.552,73 33.932,74 0.748,75 3.695,76 81.89,77 30.123,78 82.344,79 44.06,80 0.852,81 3.697,82 87.403,83 31.148,84 106.547,85 45.79,86 0.958,87 3.252,88 78.757,89 27.751,90 127.158,91 41.117,92 0.562,93 2.656,94 62.116,95 22.695,96 75.879,97 33.453,98 0.627,99 2.362,100 54.69,101 19.643,102 79.754,103 29.097,104 87,105 62,106 0.202,107 0.458,108 0.736,109 0.846,110 0.874,111 0.874,112 3.562,113 1.084,114 -5.31,115 -5.2,116 -4.86,121 36.3,122 6,123 6,124 5,125 3,126 1,127 1,129 3,137 1,138 1,158 1,160 1,176 20,179 1,180 7,185 4,187 32,192 12,197 3,200 35,206 10,210 1,211 9,214 29,219 10,224 4,227 28,232 7,235 2,237 4,239 24,244 3,249 4,251 19,255 2,256 8,261 4,264 12,269 4,274 4,277 7,281 1672,282 22.014,283 22.014,284 22.014,285 22.014,286 22.014,287 21.417,288 29.603,289 11.857,290 22.264,291 18.549,292 18.549,293 18.549,294 18.549,295 18.549,296 17.515,297 42.225,298 5.373,299 18.919,300 5.022,301 3.373,302 1.579,303 0.869,304 0.691,305 0.691,306 4.257,312 1,313 836,314 4.528,317 49.249,318 164.168,319 52.055,321 81.549,322 95.626,323 175.954,325 1.616,326 39.579,329 1,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.98,337 72,338 385,339 4.995,340 4.084,341 8.708,342 4.989,343 3.99,344 4.007,345 2.178,346 17.641,347 3.986,348 4.657,349 3.775,350 7.869,351 4.606,352 3.615,353 3.752,354 1.835,355 14.628,356 3.583,357 4.054,358 3.617,359 7.012,360 3.971,361 2.975,362 3.242,363 0.68,364 11.316,365 2.967,366 3.934,367 3.316,368 6.314,369 3.668,370 2.713,371 3.069,372 0.413,373 9.118,374 2.637,375 3.728,376 2.943,377 6.046,378 3.597,379 2.6,380 2.795,381 0.4,382 8.397,383 2.545,384 3.605,385 2.765,386 5.921,387 3.357,388 2.355,389 2.745,391 7.721,392 2.354,393 3.314,394 2.431,395 5.836,396 3.243,397 2.256,398 2.318,400 7.678,401 2.221,402 2.987,403 2.217,404 5.124,405 2.903,406 1.929,407 1.986,409 5.604,410 1.881,411 2.906,412 2.191,413 4.974,414 2.833,415 1.88,416 1.905,418 5.204,419 1.782,420 2.54,421 1.822,422 4.668,423 2.455,424 1.467,425 1.514,427 4.117,428 1.446,429 2.394,430 1.74,431 4.334,432 2.268,433 1.302,434 1.364,436 3.566,437 1.257,438 2.389,439 1.533,440 3.959,441 2.175,442 1.209,443 1.325,445 2.97,446 1.146,447 1.975,448 1.306,449 3.836,450 1.768,451 0.813,452 0.888,454 2.094,455 0.771,456 1.468,457 0.833,458 3.571,459 1.374,460 0.431,461 0.436,463 0.806,464 0.404,465 1.35,466 0.573,467 3.422,468 1.152,469 0.181,470 0.196,472 0.512,473 0.175,474 16.3,475 0.479,476 1.386,477 0.041,478 25,479 0.735,480 4,481 0.118,482 21,483 0.618,484 60.747,485 1.787,486 40.7,487 0.509,488 15.641,489 0.46,490 3.043,491 0.09,492 12.915,493 0.38,494 0.256,495 0.092,496 0.337,501 0.816,502 1.359,503 1.04,504 1.274,505 0.802,506 1.193,507 0.801,508 1.053,509 0.907,510 1.011,511 0.654,512 0.973,513 0.972,514 1.263,515 1.106,516 1.231,517 0.97,518 1.188,519 1.093,520 1.166,521 1.154,522 1.181,523 0.908,524 1.173,525 1.191,526 1.004,527 1.049,528 1.021,529 1.341,530 1.023,531 1.064,532 0.88,533 0.969,534 0.901,535 1.248,536 0.926,537 0.939,538 0.909,539 0.911,540 0.919,541 1.15,542 0.915,543 0.905,544 1.117,545 1.048,546 1.108,547 1.117,548 1.097,549 10.5,550 0.288,551 8.222,552 5.736,553 3.903,554 2.279,555 1.289,556 0.917,557 0.534,558 0.445,559 13983,560 24492,561 2.018,562 57.5,563 23,564 9,567 2,568 4,569 7,570 1,572 1.764,573 1.797,574 3.401,575 0.089,582 104.034,583 1.3,584 2.949,585 4.743,586 5.453,587 5.631,588 5.631,589 2.877,590 4.712,591 5.056,592 3.554,593 1993.54,594 8.894,595 27545.5,600 505.754,601 1.87,602 4.954,603 0.276,604 0.011,605 0.133,606 0.073,607 0.053,608 0.036,609 0.025,610 0.02,611 0.013,612 0.014,613 0.653,614 0.33,615 0.75,616 1.047,617 176.244,618 -0.014,619 0.003,620 0.062,621 0.043,622 -0.078,623 0.058,624 0.043,625 0.163,626 0.147,627 0.167,628 0.01,629 0.168,630 -0.049,631 -0.073,632 -0.053,633 -0.07,634 -0.054,635 -0.062,636 -0.059,637 -0.1,638 -0.133,639 -0.132,640 -0.007,641 -0.139,642 -0.073,643 -0.042,644 -0.055,645 -0.047,646 -0.065,647 -0.048,648 0.008,649 0.034,650 0.001,651 0.034,652 0.022,653 0.019,654 -0.021,655 0.028,656 0.049,657 0.045,658 -0.037,659 0.054,660 0.075,661 -0.134,662 -0.063,663 -0.118,664 0.024,665 -0.109,666 1.689,667 6.814,668 0.647,669 31.09,670 0.983,671 1.134,672 4.082,673 16.662,674 0.614,675 3.664,676 4.143,677 4.543,678 4.89,679 5.187,680 5.407,681 5.62,682 5.841,683 6.035,684 6.248,685 6.363,686 0.56,687 470.77,688 3.664,689 5.303,690 6.236,691 7.206,692 8.161,693 9.135,694 10.1,695 11.076,696 12.045,697 13.023,698 2.5,700 1,707 1,741 80,743 3,745 38,747 84,748 29,756 5,757 15,763 6,764 3,766 3,767 8,768 4,770 9,772 4,773 25,774 5,777 3,782 1,784 1,785 1,786 3,793 46,794 5,795 2,796 5,802 2,808 0.2,809 3,811 1,828 1,829 3,830 1,832 1,833 1,834 2,841 1,849 1,850 1,853 1,857 1,858 1,859 1,864 7,868 34,875 1,876 7,877 1,878 1,880 8,882 3,893 3.8,894 1,896 1,898 1,901 18.917,902 15.983,903 7.104,904 5.371,907 0.789,908 1.087,909 0.881,910 5.984,911 9.808,912 3.738,913 4.263,914 4.7,915 5.1,916 5.476,917 5.737,918 6.001,919 6.286,920 6.544,921 6.777,922 0.875,923 79,924 12.886,926 5.872,927 0.026,929 7.498,931 25.838,933 24.117,936 1.998,937 67.917,941 517.928,942 103.757,943 34.796,945 78.828,948 103.757,949 596.757,950 34.796,951 61.348,952 19.8,953 70.17,954 35.093,955 30.971,957 517.928,959 517.928,960 138.553,961 78.828,964 423.76,965 130.314,966 42.683,968 107.547,969 21.53,970 9.476,972 517.928,973 113.624,974 103.757,977 517.928,978 32.933,979 70.824,980 18.011,981 95.614,982 517.928,983 113.624,984 103.757,986 0.62,987 0.395,988 0.213,989 0.118,990 35,991 17,992 0.036,993 3,994 4,995 1.364,996 3.966,997 370.861,998 0.364,999 22,1000 170.974,1005 24.659,1006 8.251,1007 3.399,1009 113.624,1017 60.694,1018 735.31,1019 41,1024 13.814,1026 2.436,1027 5.072,1028 2.822,1031 78.625,1032 90.759,1034 0.206,1035 0.466,1036 0.75,1037 0.862,1038 0.891,1039 0.891,1040 5.147,1041 1.929,1042 6.351,1043 7.678,1044 4.828,1045 4.949,1046 2.762,1047 7.404,1048 4.797,1049 6.387,1050 1.88,1051 8.085,1052 5.604,1053 4.934,1054 5.056,1055 2.381,1056 9.059,1057 4.914,1058 7.773,1059 1.467,1060 9.943,1061 5.204,1062 6.739,1063 6.956,1064 3.793,1065 12.261,1066 6.698,1067 9.191,1068 1.302,1069 11.879,1070 4.117,1071 7.626,1072 7.804,1073 4.069,1074 14.728,1075 7.596,1076 10.648,1077 1.209,1078 13.867,1079 3.566,1080 9.059,1081 9.308,1082 5.097,1083 17.632,1084 9.019,1085 12.131,1086 0.813,1087 15.892,1088 2.97,1089 10.242,1090 10.449,1091 5.632,1092 20.357,1093 10.209,1094 13.635,1095 0.431,1096 17.946,1097 2.094,1098 11.594,1099 11.839,1100 6.51,1101 23.207,1102 11.556,1103 3.99,1104 0.181,1105 20.02,1106 0.806,1107 12.886,1108 13.101,1109 7.163,1110 26.015,1111 12.85,1112 3.615,1113 17.641,1114 22.11,1115 0.512,1116 14.229,1117 14.461,1118 7.977,1119 28.861,1120 14.192,1121 2.975,1122 14.628,1123 24.213,1124 4.007,1125 15.561,1126 15.776,1127 8.688,1128 31.698,1129 15.525,1130 2.713,1131 11.316,1132 26.327,1133 3.752,1134 16.911,1135 17.132,1136 9.475,1137 34.549,1138 16.874,1139 2.6,1140 9.118,1141 28.448,1142 3.242,1143 18.261,1144 18.473,1145 10.215,1146 37.399,1147 18.223,1148 2.355,1149 8.397,1150 30.575,1151 3.069,1152 19.618,1153 19.831,1154 10.993,1155 40.255,1156 19.58,1157 2.256,1158 7.721,1159 32.708,1160 2.795,1161 20.977,1162 21.186,1163 11.748,1164 43.113,1165 20.939,1166 13449,1167 17824,1168 23.868,1169 49.126,1170 60.222,1171 61.941,1172 65.338,1173 59.413,1174 59.491,1175 63.149,1176 11.013,1177 202.892,1178 58.364,1179 5.995,1180 6.07,1181 8.251,1182 6.099,1183 5.99,1184 6.536,1185 3.677,1186 27.436,1187 5.986,1188 22.688,1189 1.585,1190 1.63,1191 1.719,1192 1.564,1193 1.566,1194 1.662,1195 0.29,1196 5.339,1197 1.536,1198 4.131,1199 4.165,1200 4.05,1201 4.053,1202 7.426,1203 4.047,1204 3.972,1205 4.008,1206 3.895,1207 3.879,1208 6.449,1209 3.877,1210 3.738,1211 3.789,1212 3.633,1213 3.599,1214 4.863,1215 3.599,1216 3.619,1217 3.684,1218 3.488,1219 3.482,1220 4.476,1221 3.472,1222 3.493,1223 3.562,1224 3.347,1225 3.336,1226 4.378,1227 3.327,1228 3.437,1229 3.501,1230 3.271,1231 3.285,1232 4.245,1233 3.271,1234 3.361,1235 3.417,1236 3.212,1237 3.207,1238 4.094,1239 3.201,1240 3.197,1241 3.288,1242 2.995,1243 3.021,1244 3.948,1245 3.002,1246 0.131,1247 0.107,1248 0.229,1249 0.131,1250 0.105,1251 4.995,1252 0.105,1253 4.084,1254 0.057,1255 8.708,1256 0.464,1257 4.989,1258 0.105,1259 3.99,1260 4.007,1261 2.178,1262 17.641,1263 3.986,1264 1.983,1265 1.952,1266 2.123,1267 2.101,1268 1.572,1269 2.109,1270 1.963,1271 1.93,1272 2.114,1273 2.071,1274 1.521,1275 2.086,1276 1.742,1277 1.691,1278 1.95,1279 1.919,1280 1.325,1281 1.932,1282 1.678,1283 1.624,1284 1.92,1285 1.846,1286 1.137,1287 1.872,1288 1.502,1289 1.448,1290 1.753,1291 1.678,1292 1.084,1293 1.699,1294 1.452,1295 1.383,1296 1.731,1297 1.653,1298 1.023,1299 1.689,1300 1.396,1301 1.324,1302 1.688,1303 1.616,1304 0.886,1305 1.644,1306 1.286,1307 1.219,1308 1.583,1309 1.494,1310 0.832,1311 1.525,1312 4.344,1314 5.784,1315 2.398,1316 7.433,1317 5.13,1318 9.187,1319 7.516,1320 11,1322 15.545,1327 11.276,1328 6.145,1329 3.393,1330 6.229,1332 1.382,1334 -0.198,1340 44.777,1341 104.034,1342 235.896,1343 379.411,1344 436.205,1345 450.47,1346 450.47,1347 93.384,1348 9.019,1349 70.92,1350 70.92,1351 30,1352 13.496,1353 2,1354 2,1355 49.85,1356 133,1357 142,1358 0.195,1359 268.777,1360 488.91,1361 647.575,1362 105878,1364 24.629,1365 0.724,1366 0.658,1367 24.629,1368 22.357,1369 15.958,1370 0.42,1371 0.361,1372 13.627,1373 15.558,1374 12.979,1375 10.738,1376 15.958,1377 13.734,1378 16.118,1379 0.26,1380 0.215,1381 16.118,1382 13.347,1383 14.651,1384 0.158,1385 0.123,1386 14.651,1387 11.479,1388 12.749,1389 0.097,1390 0.07,1391 12.749,1392 9.301,1393 10.464,1394 0.059,1395 0.04,1396 10.464,1397 7.103,1398 0.297,1399 98.778,1400 0.205,1401 30.299,1402 0.57,1403 200,1404 387.599,1405 211.303,1406 372.828,1407 515.86,1408 350,1409 255,1410 380.955,1411 267.136,1412 389.981,1413 584.67,1414 366,1415 6.287}
{0 CHEMBL238062,1 1.284,2 11.229,3 3.127,4 9.78,5 140.111,6 5.76,8 4.493,9 4.637,10 3.85,11 4.018,12 5.302,13 3.942,14 5.172,15 5.387,16 4.356,17 4.565,18 5.851,19 4.47,20 5.597,21 5.803,22 4.648,23 4.941,24 6.342,25 4.819,26 5.957,27 6.22,28 4.69,29 5.122,30 6.673,31 4.95,32 6.073,33 6.366,34 4.593,35 5.101,36 6.797,37 4.9,38 5.971,39 6.278,40 4.374,41 4.948,42 6.718,43 4.725,44 5.788,45 6.106,46 4.176,47 4.76,48 6.479,49 4.528,50 5.599,51 5.917,52 4.014,53 4.593,54 6.224,55 4.367,56 0.109,57 1.217,58 22.068,59 9.075,60 12.989,61 13.121,62 0.29,63 2.182,64 41.905,65 16.523,66 20.545,67 24.166,68 0.407,69 3.238,70 64.024,71 25.1,72 41.584,73 36.68,74 0.708,75 4.115,76 88.083,77 32.575,78 73.421,79 48.562,80 0.876,81 4.142,82 96.287,83 34.373,84 103.16,85 51.104,86 0.962,87 3.604,88 85.801,89 30.421,90 125.192,91 45.365,92 0.711,93 2.984,94 70.444,95 25.635,96 91.065,97 38.165,98 0.497,99 2.532,100 58.266,101 21.055,102 56.972,103 31.71,104 106,105 70,106 0.197,107 0.421,108 0.702,109 0.821,110 0.854,111 0.854,112 3.59,113 1.086,114 -5.6,115 -5.47,116 -5.11,121 35.7,122 6,123 7,124 4,125 5,126 2,127 1,129 3,158 1,160 1,176 21,180 7,183 1,185 4,187 34,192 10,197 6,200 37,206 12,209 1,211 8,214 32,219 10,224 6,227 28,231 1,232 5,235 1,237 4,239 22,243 1,244 5,247 1,249 4,251 17,256 5,261 5,264 11,269 5,274 3,277 6,281 1867,282 22.369,283 22.369,284 22.369,285 22.369,286 22.369,287 22.045,288 27.735,289 11.663,290 22.592,291 19.538,292 19.538,293 19.538,294 19.538,295 19.538,296 18.917,297 39.481,298 5.295,299 19.894,300 5.108,301 3.653,302 1.823,303 1.051,304 0.834,305 0.834,306 4.285,312 1,313 865,314 5.244,315 21.797,317 50.184,318 208.52,319 52.123,321 81.038,322 255.971,323 174.647,325 1.861,326 37.844,329 0.75,330 0.67,331 1,332 0.8,333 1,334 1,335 1,336 0.89,337 73.5,338 393,339 5.286,340 4.457,341 9.146,342 5.274,343 4.273,344 4.322,345 2.178,346 20.02,347 4.28,348 4.895,349 3.915,350 8.655,351 4.891,352 3.894,353 3.897,354 1.408,355 17.406,356 3.885,357 4.514,358 3.651,359 7.865,360 4.478,361 3.486,362 3.585,363 0.8,364 14.501,365 3.459,366 3.935,367 3.302,368 7.049,369 3.851,370 2.876,371 3.114,372 0.269,373 11.216,374 2.808,375 3.863,376 3.103,377 6.639,378 3.649,379 2.685,380 2.872,382 9.364,383 2.589,384 3.554,385 3.012,386 6.114,387 3.405,388 2.406,389 2.647,391 8.183,392 2.42,393 3.391,394 2.531,395 5.933,396 3.356,397 2.362,398 2.392,400 8.099,401 2.321,402 3.09,403 2.367,404 5.475,405 3.03,406 2.085,407 2.091,409 6.134,410 1.961,411 2.955,412 2.088,413 5.371,414 2.917,415 1.936,416 1.954,418 5.886,419 1.895,420 2.603,421 1.872,422 5.112,423 2.536,424 1.547,425 1.578,427 4.621,428 1.528,429 2.535,430 1.614,431 4.772,432 2.416,433 1.405,434 1.511,436 4.118,437 1.414,438 2.394,439 1.511,440 4.222,441 2.214,442 1.255,443 1.345,445 2.977,446 1.199,447 1.994,448 1.25,449 4,450 1.913,451 0.948,452 0.97,454 2.347,455 0.91,456 1.917,457 1.042,458 3.965,459 1.802,460 0.837,461 0.875,463 2.256,464 0.806,465 1.273,466 0.596,467 3.859,468 1.167,469 0.184,470 0.192,472 0.545,473 0.18,474 16.867,475 0.482,476 1.647,477 0.047,478 25.25,479 0.721,480 3,481 0.086,482 22.25,483 0.636,484 66.153,485 1.89,486 41.933,487 0.499,488 14.584,489 0.417,490 2.641,491 0.075,492 13.641,493 0.39,494 0.277,495 0.148,496 0.291,501 0.828,502 1.423,503 1.064,504 1.276,505 0.804,506 1.203,507 0.806,508 0.994,509 0.892,510 0.943,511 0.604,512 0.921,513 0.986,514 1.315,515 1.145,516 1.266,517 0.966,518 1.226,519 0.973,520 1.164,521 1.137,522 1.185,523 0.908,524 1.171,525 1.311,526 1.022,527 1.057,528 1.033,529 1.423,530 1.03,531 1.206,532 0.936,533 1.027,534 0.969,535 1.372,536 0.985,537 0.977,538 0.917,539 0.924,540 0.93,541 1.203,542 0.931,543 0.962,544 0.932,545 0.932,546 0.921,547 1.019,548 0.926,549 12.5,550 0.285,551 9.778,552 7,553 5.099,554 2.772,555 1.536,556 1.018,557 0.71,558 0.454,559 15104,560 23768,561 2.034,562 58.3,563 25,564 11,567 2,568 3,569 7,570 1,572 1.772,573 1.787,574 3.4,575 0.077,582 107.872,583 1.284,584 2.739,585 4.57,586 5.341,587 5.559,588 5.559,589 2.962,590 4.958,591 5.093,592 3.554,593 2114.5,594 8.974,595 29263.9,600 536.955,601 1.95,602 4.978,603 0.313,604 0.011,605 0.146,606 0.082,607 0.062,608 0.039,609 0.028,610 0.022,611 0.018,612 0.015,613 0.736,614 0.33,615 0.63,616 1.045,617 182.114,618 -0.007,619 -0.032,620 0.076,621 0.05,622 -0.083,623 0.065,624 0.023,625 0.247,626 0.186,627 0.234,628 0.019,629 0.227,630 -0.052,631 -0.091,632 -0.064,633 -0.079,634 -0.05,635 -0.074,636 -0.028,637 -0.073,638 -0.111,639 -0.127,640 -0.008,641 -0.123,642 -0.074,643 -0.06,644 -0.054,645 -0.053,646 -0.058,647 -0.052,648 0.006,649 -0.011,650 -0.042,651 -0.02,652 0.019,653 -0.033,654 0.045,655 -0.014,656 0.032,657 0.017,658 0.01,659 0.02,660 -0.032,661 -0.006,662 0.024,663 0.029,664 -0.038,665 0.03,666 1.655,667 7.444,668 0.629,669 34.811,670 0.98,671 1.136,672 4.371,673 19.11,674 0.612,675 3.714,676 4.263,677 4.71,678 5.112,679 5.481,680 5.768,681 6.073,682 6.366,683 6.605,684 6.808,685 6.347,686 0.555,687 483.82,688 3.714,689 5.398,690 6.375,691 7.393,692 8.403,693 9.431,694 10.455,695 11.49,696 12.523,697 13.562,698 3.6,700 1,701 1,707 1,741 84,743 2,745 40,747 89,748 30,756 6,757 25,763 6,764 5,766 5,767 9,768 3,770 10,772 2,773 28,774 4,777 2,782 1,785 1,786 2,793 49,794 5,795 2,796 5,802 3,804 1,808 0.167,809 2,811 1,826 1,828 1,829 4,830 1,832 1,833 3,834 2,841 1,853 1,855 1,857 1,859 1,864 8,868 35,875 1,876 8,877 1,880 7,881 1,882 5,893 2.4,894 1,896 1,901 19.583,902 17.1,903 7.069,904 5.664,907 0.38,908 1.04,909 0.882,910 5.056,911 9.893,912 3.761,913 4.331,914 4.804,915 5.231,916 5.62,917 5.916,918 6.227,919 6.544,920 6.815,921 7.05,922 0.875,923 85,924 13.297,926 6.23,927 0.026,929 7.426,931 26.975,933 26.234,936 1.926,937 67.417,941 553.242,942 97.053,943 37.921,945 67.828,948 97.053,949 621.07,950 37.921,951 69.744,952 19.847,953 60.694,954 32.606,955 19.91,957 553.242,959 553.242,960 134.973,961 67.828,964 459.073,965 119.314,966 42.683,968 110.719,969 24.254,972 553.242,973 105.749,974 97.053,977 553.242,978 27.309,979 72.868,980 18.011,981 84.614,982 553.242,983 105.749,984 97.053,986 0.637,987 0.405,988 0.217,989 0.122,990 43,991 20,992 0.034,993 3,994 5,995 1.455,996 4.005,997 408.091,998 0.455,999 22,1000 173.525,1005 24.564,1006 7.204,1007 2.717,1009 105.749,1017 60.694,1018 756.043,1019 42,1024 14.444,1027 5.253,1028 1.732,1031 82.283,1032 95.463,1034 0.201,1035 0.429,1036 0.715,1037 0.836,1038 0.87,1039 0.87,1040 5.231,1041 2.085,1042 6.532,1043 8.099,1044 4.949,1045 5.017,1046 2.56,1047 7.682,1048 4.922,1049 6.516,1050 1.936,1051 8.331,1052 6.134,1053 5.231,1054 5.293,1055 2.252,1056 9.579,1057 5.21,1058 7.957,1059 1.547,1060 10.257,1061 5.886,1062 7.008,1063 7.119,1064 3.539,1065 12.848,1066 6.977,1067 9.433,1068 1.405,1069 12.262,1070 4.621,1071 8.043,1072 8.132,1073 3.85,1074 15.5,1075 8.022,1076 10.951,1077 1.255,1078 14.319,1079 4.118,1080 9.503,1081 9.623,1082 4.856,1083 18.502,1084 9.48,1085 12.497,1086 0.948,1087 16.41,1088 2.977,1089 10.791,1090 10.895,1091 5.424,1092 21.37,1093 10.775,1094 14.063,1095 0.837,1096 18.526,1097 2.347,1098 12.195,1099 12.317,1100 6.311,1101 24.33,1102 12.181,1103 4.273,1104 0.184,1105 20.659,1106 2.256,1107 13.566,1108 13.682,1109 6.992,1110 27.263,1111 13.557,1112 3.894,1113 20.02,1114 22.806,1115 0.545,1116 14.97,1117 15.096,1118 7.823,1119 30.224,1120 14.964,1121 3.486,1122 17.406,1123 24.963,1124 4.322,1125 16.372,1126 16.499,1127 8.556,1128 33.183,1129 16.369,1130 2.876,1131 14.501,1132 27.127,1133 3.897,1134 17.785,1135 17.921,1136 9.36,1137 36.151,1138 17.784,1139 2.685,1140 11.216,1141 29.298,1142 3.585,1143 19.2,1144 19.342,1145 10.117,1146 39.121,1147 19.203,1148 2.406,1149 9.364,1150 31.474,1151 3.114,1152 20.621,1153 20.772,1154 10.908,1155 42.096,1156 20.626,1157 2.362,1158 8.183,1159 33.654,1160 2.872,1161 22.045,1162 22.204,1163 11.676,1164 45.074,1165 22.053,1166 14380,1167 18039,1168 24.849,1169 51.438,1170 64.908,1171 66.454,1172 71.628,1173 64.441,1174 64.458,1175 66.792,1176 9.311,1177 235.65,1178 63.406,1179 6.286,1180 6.457,1181 8.311,1182 6.345,1183 6.273,1184 6.819,1185 3.677,1186 30.404,1187 6.28,1188 24.27,1189 1.623,1190 1.661,1191 1.791,1192 1.611,1193 1.611,1194 1.67,1195 0.233,1196 5.891,1197 1.585,1198 4.221,1199 4.25,1200 4.153,1201 4.156,1202 7.426,1203 4.151,1204 3.967,1205 4.01,1206 3.883,1207 3.875,1208 6.449,1209 3.87,1210 3.816,1211 3.871,1212 3.728,1213 3.68,1214 4.739,1215 3.684,1216 3.625,1217 3.702,1218 3.483,1219 3.472,1220 4.479,1221 3.461,1222 3.551,1223 3.614,1224 3.407,1225 3.405,1226 4.347,1227 3.397,1228 3.453,1229 3.522,1230 3.287,1231 3.309,1232 4.199,1233 3.294,1234 3.356,1235 3.419,1236 3.196,1237 3.187,1238 4.054,1239 3.178,1240 3.233,1241 3.325,1242 3.032,1243 3.036,1244 3.893,1245 3.022,1246 0.132,1247 0.111,1248 0.229,1249 0.132,1250 0.107,1251 5.286,1252 0.108,1253 4.457,1254 0.054,1255 9.146,1256 0.501,1257 5.274,1258 0.107,1259 4.273,1260 4.322,1261 2.178,1262 20.02,1263 4.28,1264 2.014,1265 1.98,1266 2.157,1267 2.126,1268 1.633,1269 2.138,1270 1.899,1271 1.86,1272 2.057,1273 2.028,1274 1.486,1275 2.039,1276 1.752,1277 1.699,1278 1.959,1279 1.933,1280 1.324,1281 1.945,1282 1.666,1283 1.606,1284 1.913,1285 1.83,1286 1.151,1287 1.861,1288 1.482,1289 1.408,1290 1.763,1291 1.706,1292 1.081,1293 1.725,1294 1.448,1295 1.384,1296 1.724,1297 1.642,1298 0.994,1299 1.675,1300 1.4,1301 1.327,1302 1.692,1303 1.598,1304 0.943,1305 1.634,1306 1.276,1307 1.222,1308 1.603,1309 1.501,1310 0.825,1311 1.531,1312 4.394,1313 1.946,1314 5.889,1315 4.394,1316 7.607,1317 6.735,1318 9.442,1319 8.98,1320 11.343,1322 18.277,1327 11.478,1328 8.281,1329 3.72,1332 1.922,1333 2.249,1334 0.06,1340 46.61,1341 107.872,1342 230.115,1343 383.857,1344 448.651,1345 466.916,1346 466.916,1347 91.254,1348 9.513,1349 64.93,1350 64.93,1351 32,1352 14,1353 1.585,1354 1.585,1355 46.937,1356 133,1357 153,1358 0.184,1359 276.701,1360 498.7,1361 666.91,1362 174855,1364 25.345,1365 0.724,1366 0.67,1367 25.345,1368 23.448,1369 16.283,1370 0.407,1371 0.362,1372 14.371,1373 15.91,1374 13.64,1375 11.246,1376 16.283,1377 14.478,1378 17.326,1379 0.248,1380 0.214,1381 17.326,1382 15.006,1383 15.914,1384 0.145,1385 0.121,1386 15.914,1387 13.317,1388 14.074,1389 0.085,1390 0.068,1391 14.074,1392 11.268,1393 12.044,1394 0.05,1395 0.039,1396 12.044,1397 9.287,1398 0.277,1399 100.458,1400 0.201,1401 30.866,1402 0.545,1403 220,1404 371.508,1405 229.786,1406 365.117,1407 515.89,1408 342,1409 293,1410 393.825,1411 304.147,1412 407.935,1413 620.69,1414 382,1415 5.508}
{0 CHEMBL238063,1 1.275,2 11.917,3 3.584,4 12.841,5 144.712,6 5.722,8 4.525,9 4.67,10 3.875,11 4.049,12 5.329,13 3.971,14 5.204,15 5.42,16 4.374,17 4.592,18 5.875,19 4.494,20 5.627,21 5.838,22 4.669,23 4.965,24 6.361,25 4.842,26 5.979,27 6.24,28 4.717,29 5.147,30 6.699,31 4.975,32 6.106,33 6.402,34 4.618,35 5.126,36 6.826,37 4.926,38 5.992,39 6.298,40 4.406,41 4.981,42 6.734,43 4.758,44 5.83,45 6.148,46 4.228,47 4.809,48 6.508,49 4.578,50 5.65,51 5.964,52 4.068,53 4.661,54 6.274,55 4.434,56 0.114,57 1.255,58 22.867,59 9.422,60 13.075,61 13.621,62 0.297,63 2.245,64 43.265,65 17.104,66 20.258,67 25.012,68 0.419,69 3.32,70 65.896,71 25.862,72 40.11,73 37.809,74 0.71,75 4.221,76 90.07,77 33.369,78 74.683,79 49.772,80 0.922,81 4.274,82 99.249,83 34.973,84 105.479,85 52.314,86 0.962,87 3.708,88 87.503,89 31.291,90 123.883,91 46.566,92 0.721,93 3.122,94 73.107,95 26.854,96 90.457,97 39.898,98 0.504,99 2.694,100 61.277,101 22.482,102 57.682,103 33.715,104 109,105 71,106 0.194,107 0.413,108 0.7,109 0.839,110 0.871,111 0.871,112 3.617,113 1.099,114 -5.79,115 -5.65,116 -5.27,121 35.6,122 6,123 8,124 4,125 5,126 2,127 1,129 3,158 1,160 1,176 22,180 7,183 1,185 4,187 35,192 10,197 6,200 38,206 13,209 1,211 9,214 32,219 10,224 6,227 28,231 1,232 5,235 1,237 4,239 24,243 1,244 5,247 1,249 4,251 20,256 5,261 5,264 13,269 5,274 3,277 9,281 2052,282 23.239,283 23.239,284 23.239,285 23.239,286 23.239,287 22.915,288 27.735,289 12.165,290 23.462,291 19.959,292 19.959,293 19.959,294 19.959,295 19.959,296 19.345,297 39.481,298 5.45,299 20.313,300 5.168,301 3.736,302 1.855,303 0.946,304 0.736,305 0.736,306 4.313,312 1,313 941,314 5.339,315 22.998,317 53.097,318 217.833,319 54.92,321 85.887,322 267.387,323 183.495,325 1.977,326 38.4,329 0.75,330 0.5,331 1,332 0.8,333 1,334 1,335 1,336 0.86,337 75.5,338 429,339 5.286,340 4.457,341 9.146,342 5.274,343 4.273,344 4.322,345 2.178,346 20.02,347 4.28,348 4.895,349 3.915,350 8.655,351 4.892,352 3.894,353 3.897,354 1.408,355 17.406,356 3.885,357 4.515,358 3.652,359 7.865,360 4.478,361 3.486,362 3.587,363 0.8,364 14.502,365 3.459,366 3.957,367 3.31,368 7.049,369 3.851,370 2.877,371 3.132,372 0.269,373 11.216,374 2.808,375 3.867,376 3.118,377 6.639,378 3.697,379 2.729,380 2.872,382 9.375,383 2.641,384 3.556,385 3.014,386 6.114,387 3.407,388 2.406,389 2.649,391 8.487,392 2.426,393 3.392,394 2.531,395 6.02,396 3.359,397 2.367,398 2.392,400 8.113,401 2.322,402 3.091,403 2.368,404 5.488,405 3.031,406 2.087,407 2.091,409 6.145,410 1.963,411 2.983,412 2.106,413 5.371,414 2.928,415 1.947,416 1.982,418 5.935,419 1.904,420 2.624,421 1.873,422 5.112,423 2.537,424 1.547,425 1.598,427 4.623,428 1.529,429 2.553,430 1.667,431 4.774,432 2.44,433 1.464,434 1.521,436 4.118,437 1.428,438 2.526,439 1.599,440 4.223,441 2.361,442 1.364,443 1.501,445 3.526,446 1.347,447 1.994,448 1.251,449 4.157,450 1.913,451 0.948,452 0.97,454 2.348,455 0.91,456 1.917,457 1.051,458 4,459 1.809,460 0.845,461 0.878,463 2.265,464 0.812,465 1.313,466 0.596,467 3.964,468 1.287,469 0.303,470 0.304,472 0.628,473 0.298,474 17.367,475 0.482,476 1.609,477 0.045,478 25.75,479 0.715,480 3,481 0.083,482 22.75,483 0.632,484 68.701,485 1.908,486 43.233,487 0.497,488 14.812,489 0.411,490 2.641,491 0.073,492 14.179,493 0.394,494 0.269,495 0.144,496 0.282,501 0.831,502 1.426,503 1.075,504 1.283,505 0.805,506 1.212,507 0.809,508 1.009,509 0.908,510 0.961,511 0.612,512 0.938,513 0.984,514 1.292,515 1.128,516 1.242,517 0.964,518 1.203,519 0.975,520 1.205,521 1.146,522 1.211,523 0.917,524 1.19,525 1.366,526 0.993,527 1.058,528 1,529 1.443,530 1.005,531 1.219,532 0.953,533 1.041,534 0.986,535 1.388,536 1.001,537 0.968,538 0.91,539 0.916,540 0.922,541 1.184,542 0.923,543 0.955,544 0.976,545 0.971,546 0.971,547 1.015,548 0.975,549 12.5,550 0.314,551 10,552 7,553 5.099,554 2.8,555 1.616,556 1.034,557 0.731,558 0.489,559 16461,560 25455,561 2.033,562 58.6,563 27,564 11,567 2,568 3,569 7,570 1,572 1.778,573 1.793,574 3.47,575 0.066,582 110.907,583 1.275,584 2.707,585 4.588,586 5.497,587 5.707,588 5.707,589 3.108,590 4.871,591 5.132,592 3.621,593 2281.31,594 9.05,595 32415.5,600 560.536,601 1.945,602 5.022,603 0.305,604 0.011,605 0.147,606 0.08,607 0.061,608 0.038,609 0.028,610 0.021,611 0.017,612 0.015,613 0.724,614 0.17,615 0.63,616 1.12,617 189.648,618 -0.005,619 -0.031,620 0.075,621 0.049,622 -0.08,623 0.064,624 0.024,625 0.233,626 0.176,627 0.219,628 0.014,629 0.213,630 -0.044,631 -0.074,632 -0.044,633 -0.058,634 -0.046,635 -0.052,636 -0.019,637 -0.107,638 -0.114,639 -0.146,640 -0.003,641 -0.137,642 -0.085,643 -0.027,644 -0.048,645 -0.031,646 -0.061,647 -0.035,648 0.004,649 -0.018,650 -0.051,651 -0.029,652 0.018,653 -0.043,654 0.048,655 -0.002,656 0.041,657 0.028,658 0.019,659 0.031,660 -0.039,661 -0.034,662 -0.011,663 -0.007,664 -0.046,665 -0.008,666 1.656,667 7.483,668 0.611,669 37.833,670 0.979,671 1.137,672 4.562,673 20.809,674 0.611,675 3.738,676 4.277,677 4.727,678 5.124,679 5.489,680 5.778,681 6.089,682 6.38,683 6.621,684 6.829,685 6.609,686 0.553,687 497.85,688 3.738,689 5.416,690 6.392,691 7.407,692 8.415,693 9.441,694 10.464,695 11.497,696 12.53,697 13.568,698 3.4,700 1,701 1,707 1,741 87,743 2,745 41,747 92,748 31,756 6,757 25,763 6,764 5,766 5,767 9,768 3,770 11,772 2,773 29,774 4,777 2,782 1,785 1,786 2,793 51,794 5,795 2,796 5,802 3,804 1,808 0.167,809 2,811 1,826 1,828 1,829 4,830 1,832 1,833 3,834 2,841 1,853 1,855 1,857 1,859 1,864 8,868 36,875 1,876 9,877 1,880 7,881 1,882 5,893 2.3,894 1,896 1,901 20.083,902 17.6,903 7.403,904 5.997,907 0.385,908 1.04,909 0.883,910 5.431,911 9.964,912 3.784,913 4.344,914 4.82,915 5.247,916 5.631,917 5.93,918 6.248,919 6.561,920 6.835,921 7.077,922 1,923 87,924 13.678,926 6.376,927 0.026,929 7.414,931 27.792,933 26.906,936 1.914,937 68.917,941 576.784,942 99.587,943 37.921,945 67.828,948 99.587,949 644.612,950 37.921,951 69.744,952 22.382,953 60.694,954 32.606,955 19.91,957 576.784,959 576.784,960 137.508,961 67.828,964 482.615,965 119.314,966 42.683,968 113.254,969 24.254,972 576.784,973 105.749,974 99.587,977 576.784,978 29.843,979 72.868,980 18.011,981 84.614,982 576.784,983 105.749,984 99.587,986 0.631,987 0.407,988 0.217,989 0.121,990 43,991 20,992 0.043,993 4,994 5,995 1.455,996 4.089,997 420.76,998 0.455,999 22,1000 182.117,1005 25.509,1006 7.665,1007 2.877,1009 105.749,1017 60.694,1018 782.12,1019 43,1024 14.483,1027 5.324,1028 1.769,1031 85.166,1032 98.879,1034 0.198,1035 0.42,1036 0.712,1037 0.853,1038 0.886,1039 0.886,1040 5.247,1041 2.087,1042 6.544,1043 8.113,1044 4.963,1045 5.03,1046 2.56,1047 7.69,1048 4.937,1049 6.526,1050 1.947,1051 8.34,1052 6.145,1053 5.231,1054 5.293,1055 2.252,1056 9.583,1057 5.21,1058 7.965,1059 1.547,1060 10.264,1061 5.935,1062 7.017,1063 7.127,1064 3.539,1065 12.851,1066 6.986,1067 9.44,1068 1.464,1069 12.267,1070 4.623,1071 8.046,1072 8.135,1073 3.85,1074 15.501,1075 8.025,1076 10.957,1077 1.364,1078 14.323,1079 4.118,1080 9.507,1081 9.628,1082 4.856,1083 18.503,1084 9.485,1085 12.501,1086 0.948,1087 16.413,1088 3.526,1089 10.793,1090 10.898,1091 5.424,1092 21.37,1093 10.778,1094 14.067,1095 0.845,1096 18.528,1097 2.348,1098 12.198,1099 12.32,1100 6.311,1101 24.33,1102 12.184,1103 4.273,1104 0.303,1105 20.661,1106 2.265,1107 13.568,1108 13.684,1109 6.992,1110 27.264,1111 13.558,1112 3.894,1113 20.02,1114 22.807,1115 0.628,1116 14.972,1117 15.099,1118 7.823,1119 30.224,1120 14.965,1121 3.486,1122 17.406,1123 24.964,1124 4.322,1125 16.373,1126 16.501,1127 8.556,1128 33.183,1129 16.369,1130 2.877,1131 14.502,1132 27.128,1133 3.897,1134 17.785,1135 17.922,1136 9.36,1137 36.151,1138 17.785,1139 2.729,1140 11.216,1141 29.299,1142 3.587,1143 19.201,1144 19.344,1145 10.117,1146 39.121,1147 19.203,1148 2.406,1149 9.375,1150 31.474,1151 3.132,1152 20.622,1153 20.773,1154 10.908,1155 42.096,1156 20.627,1157 2.367,1158 8.487,1159 33.654,1160 2.872,1161 22.045,1162 22.205,1163 11.676,1164 45.074,1165 22.053,1166 15711,1167 19544,1168 25.542,1169 53.2,1170 65.821,1171 67.356,1172 73.606,1173 65.42,1174 65.415,1175 67.746,1176 9.311,1177 238.221,1178 64.363,1179 6.286,1180 6.457,1181 8.69,1182 6.345,1183 6.273,1184 6.823,1185 3.677,1186 30.404,1187 6.28,1188 24.816,1189 1.605,1190 1.643,1191 1.795,1192 1.596,1193 1.595,1194 1.652,1195 0.227,1196 5.81,1197 1.57,1198 4.221,1199 4.251,1200 4.153,1201 4.156,1202 7.426,1203 4.152,1204 3.968,1205 4.01,1206 3.884,1207 3.875,1208 6.449,1209 3.871,1210 3.827,1211 3.881,1212 3.736,1213 3.695,1214 4.737,1215 3.697,1216 3.645,1217 3.717,1218 3.502,1219 3.513,1220 4.478,1221 3.499,1222 3.575,1223 3.644,1224 3.43,1225 3.411,1226 4.347,1227 3.406,1228 3.457,1229 3.524,1230 3.298,1231 3.313,1232 4.201,1233 3.299,1234 3.359,1235 3.422,1236 3.199,1237 3.187,1238 4.09,1239 3.179,1240 3.242,1241 3.334,1242 3.045,1243 3.045,1244 3.906,1245 3.033,1246 0.129,1247 0.109,1248 0.223,1249 0.129,1250 0.104,1251 5.286,1252 0.105,1253 4.457,1254 0.053,1255 9.146,1256 0.488,1257 5.274,1258 0.104,1259 4.273,1260 4.322,1261 2.178,1262 20.02,1263 4.28,1264 2.014,1265 1.981,1266 2.157,1267 2.127,1268 1.633,1269 2.138,1270 1.901,1271 1.861,1272 2.059,1273 2.029,1274 1.487,1275 2.041,1276 1.757,1277 1.704,1278 1.972,1279 1.936,1280 1.325,1281 1.949,1282 1.706,1283 1.649,1284 1.942,1285 1.863,1286 1.245,1287 1.895,1288 1.487,1289 1.414,1290 1.765,1291 1.707,1292 1.087,1293 1.727,1294 1.456,1295 1.391,1296 1.727,1297 1.656,1298 1.003,1299 1.685,1300 1.405,1301 1.332,1302 1.696,1303 1.604,1304 0.943,1305 1.64,1306 1.279,1307 1.225,1308 1.605,1309 1.502,1310 0.828,1311 1.531,1312 4.419,1313 1.946,1314 5.905,1315 4.394,1316 7.62,1317 6.735,1318 9.451,1319 8.98,1320 11.351,1322 18.371,1327 11.499,1328 9.422,1329 3.772,1332 1.973,1333 2.252,1334 0.054,1340 48.137,1341 110.907,1342 235.499,1343 399.155,1344 478.232,1345 496.497,1346 496.497,1347 95.257,1348 9.58,1349 64.93,1350 64.93,1351 32,1352 14.007,1353 1.585,1354 1.585,1355 48.953,1356 142,1357 179,1358 0.179,1359 286.293,1360 516,1361 690.316,1362 189693,1364 26.052,1365 0.724,1366 0.671,1367 26.052,1368 24.155,1369 16.821,1370 0.41,1371 0.366,1372 14.909,1373 16.448,1374 14.179,1375 11.699,1376 16.821,1377 15.016,1378 17.468,1379 0.246,1380 0.214,1381 17.468,1382 15.161,1383 16.42,1384 0.147,1385 0.124,1386 16.42,1387 13.849,1388 14.319,1389 0.086,1390 0.068,1391 14.319,1392 11.409,1393 12.186,1394 0.051,1395 0.039,1396 12.186,1397 9.37,1398 0.271,1399 103.686,1400 0.198,1401 31.707,1402 0.525,1403 224,1404 375.508,1405 233.786,1406 369.012,1407 522.13,1408 346,1409 298,1410 398.825,1411 309.147,1412 412.593,1413 628.42,1414 387,1415 5.36}
{0 CHEMBL238067,1 1.909,2 13.276,3 5.932,4 35.183,5 100.614,6 9.833,7 0.581,8 3.897,9 3.974,10 3.673,11 3.431,12 5.201,13 3.468,14 4.403,15 4.516,16 4.129,17 3.76,18 6.183,19 3.799,20 4.561,21 4.688,22 4.158,23 3.832,24 5.971,25 3.866,26 4.628,27 4.788,28 4.051,29 3.741,30 6.118,31 3.775,32 4.488,33 4.637,34 4.122,35 3.705,36 6.043,37 3.724,38 4.398,39 4.55,40 3.786,41 3.677,42 5.799,43 3.629,44 4.324,45 4.516,46 3.59,47 3.611,48 5.513,49 3.529,50 4.238,51 4.432,52 3.63,53 3.431,54 5.566,55 3.42,56 0.281,57 0.782,58 4.006,59 3.848,60 33.775,61 3.539,62 1.083,63 1.544,64 10.647,65 6.155,66 144.38,67 5.756,68 0.836,69 1.28,70 15.868,71 7.603,72 67.597,73 7.22,74 1.276,75 1.372,76 19.649,77 7.802,78 139.501,79 6.557,80 1.069,81 1.007,82 21.1,83 7.274,84 117.103,85 6.89,86 0.968,87 0.889,88 16.385,89 6.745,90 88.458,91 6.964,92 0.681,93 0.913,94 17.006,95 6.995,96 69.231,97 8.521,98 0.587,99 0.977,100 13.929,101 6.232,102 56.821,103 7.315,104 38,105 44,106 0.33,107 0.598,108 0.699,109 0.793,110 0.82,111 0.836,112 3.407,113 0.835,114 -5.31,115 -5.19,116 -4.85,121 46.5,126 1,134 1,144 10,145 1,146 4,147 1,149 1,161 1,176 7,179 4,180 7,187 7,192 10,200 5,206 12,218 1,219 10,227 4,232 2,239 10,243 3,251 10,256 2,264 6,268 2,269 3,277 2,281 1319,282 18.833,283 18.833,284 18.833,285 18.833,286 18.833,287 16.515,288 21.833,289 10.965,290 19.586,291 15.27,292 15.27,293 15.27,294 15.27,295 15.27,296 11.816,297 26.454,298 5.219,299 16.646,300 3.517,301 1.972,302 1.383,303 0.843,304 0.686,305 0.593,306 4.083,308 1,312 1,313 809,314 4.123,318 337.384,325 2.197,326 50.287,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 66.833,338 385,339 4.482,340 4.461,341 7.118,342 4.185,343 3.327,344 3.999,345 3.825,346 11.698,347 2.873,348 4.2,349 3.801,350 6.339,351 3.887,352 2.951,353 3.674,354 2.208,355 9.428,356 2.758,357 4.111,358 3.296,359 6.063,360 3.705,361 2.817,362 3.581,363 0.86,364 8.767,365 2.535,366 3.949,367 2.852,368 5.506,369 3.504,370 2.571,371 3.333,372 0.655,373 7.386,374 2.308,375 3.605,376 2.706,377 5.212,378 3.171,379 2.228,380 2.928,381 0.13,382 6.506,383 2.087,384 3.343,385 2.487,386 4.897,387 2.917,388 1.957,389 2.603,391 5.388,392 1.849,393 2.916,394 1.956,395 4.61,396 2.478,397 1.572,398 2.036,400 4.702,401 1.404,402 2.877,403 1.85,404 4.125,405 2.404,406 1.438,407 2.004,409 3.625,410 1.367,411 2.817,412 1.73,413 3.773,414 2.279,415 1.392,416 1.938,418 3.138,419 1.169,420 2.5,421 1.047,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1,431 3.291,432 2,433 1,434 1.5,436 2.136,437 1,438 1.949,439 1,440 3.247,441 1.621,442 0.677,443 0.807,445 1.648,446 0.63,447 1.628,448 0.899,449 3.084,450 1.228,451 0.348,452 0.424,454 0.865,455 0.291,456 1.256,457 0.62,458 2.772,459 0.808,460 -0.092,461 -0.115,463 -0.216,464 -0.075,465 0.797,466 0.51,467 2.515,468 0.317,469 -0.55,470 -0.69,472 -1.446,473 -0.411,474 13.371,475 0.461,476 0.936,477 0.032,478 40,479 1.379,480 21,481 0.724,482 19,483 0.655,484 20.555,485 0.709,486 31.629,487 0.736,488 33.199,489 1.145,490 8.38,491 0.289,492 5.356,493 0.185,494 0.18,495 0.037,496 0.292,498 3,501 0.65,502 0.998,503 0.518,504 1.014,505 0.611,506 0.874,507 0.506,508 0.706,509 0.595,510 0.84,511 0.398,512 0.844,513 0.852,514 0.987,515 0.854,516 1.184,517 0.605,518 1.069,519 1.338,520 0.859,521 1.049,522 0.827,523 1.229,524 0.933,525 0.789,526 0.778,527 0.949,528 1.001,529 0.81,530 0.924,531 0.601,532 0.546,533 1.109,534 0.948,535 0.621,536 1.134,537 0.418,538 0.647,539 0.92,540 1.026,541 0.435,542 1.149,543 0.607,544 1.039,545 0.554,546 1.162,547 0.571,548 1.065,549 7.5,550 0.19,551 3.778,552 2,553 1.867,554 0.944,555 0.565,556 0.417,557 0.254,558 0.222,559 11701,560 48117,561 1.985,562 32.6,564 13,566 1,572 1.712,573 1.822,574 3.659,575 -0.683,582 82.078,583 1.909,584 3.455,585 4.043,586 4.583,587 4.74,588 4.833,589 3.095,590 4.418,591 4.83,592 3.887,593 1577.97,594 8.371,595 22636.3,600 233.329,601 1.658,602 4.76,603 0.242,604 0.009,605 0.086,606 0.045,607 0.049,608 0.026,609 0.019,610 0.016,611 0.01,612 0.01,613 0.512,614 0.33,615 1,616 0.805,617 151.055,618 -0.048,619 -0.132,620 0.017,621 -0.112,622 -0.104,623 -0.043,624 0.383,625 0.31,626 0.116,627 0.076,628 0.42,629 0.001,630 -0.061,631 -0.219,632 0.022,633 -0.25,634 0.018,635 -0.134,636 -0.246,637 0.081,638 -0.125,639 0.111,640 -0.185,641 -0.004,642 0.079,643 -0.027,644 0.183,645 -0.029,646 0.055,647 0.066,648 0.125,649 0.1,650 -0.134,651 0.008,652 0.021,653 -0.12,654 0.176,655 -0.016,656 0.047,657 -0.039,658 0.073,659 -0.011,660 0.123,661 -0.247,662 0.294,663 -0.191,664 0.115,665 0.048,666 5.798,667 5.2,668 0.621,669 31.81,670 1.049,671 1.137,672 4.075,673 16.608,674 0.701,675 3.466,676 3.807,677 3.989,678 4.143,679 4.357,680 4.304,681 4.394,682 4.431,683 4.443,684 4.511,685 7.876,686 0.706,687 422.81,688 3.466,689 5.017,690 5.844,691 6.713,692 7.556,693 8.423,694 9.273,695 10.138,696 10.991,697 11.856,698 4.7,705 1,708 1,715 11,716 1,720 6,722 18,737 1,739 1,740 1,741 43,743 19,744 2,745 31,747 45,748 20,749 17,750 3,751 9,756 3,757 3,758 1,763 1,769 1,772 18,773 2,777 1,782 1,786 1,791 3,793 14,794 8,796 9,797 1,802 2,808 1,809 3,822 1,829 3,859 3,864 1,865 1,866 3,868 29,878 2,881 1,882 1,892 4,893 7,896 1,898 2,901 15.917,902 8.138,903 6.25,904 2.31,907 3.08,908 1.425,909 0.967,910 6.308,911 10.322,912 3.738,913 4.324,914 4.814,915 5.305,916 5.829,917 5.856,918 6.158,919 6.429,920 6.69,921 7.045,922 0.889,923 44,924 11.16,926 5.218,927 0.026,929 8.398,931 19.087,933 14.953,936 2.898,937 84.028,941 164.795,942 151.473,943 19.91,944 39.149,945 47.145,946 44.88,948 151.473,949 251.089,950 64.79,951 8.396,952 3.124,953 94.762,954 53.702,955 95.857,956 11.577,957 153.024,958 46.908,959 164.795,960 171.383,961 92.025,962 39.149,964 164.795,965 92.025,968 19.931,969 134.666,970 55.934,972 209.676,973 67.055,974 190.621,977 172.555,978 31.507,979 115.331,981 147.959,982 164.795,983 111.935,984 190.621,986 0.594,987 0.332,988 0.159,989 0.088,990 20,991 10,992 0.111,993 5,995 1,996 4.061,997 239.054,999 18,1000 128.127,1005 20.968,1006 8.724,1007 5.404,1009 111.935,1010 16.223,1011 3.601,1015 -0.236,1018 467.352,1019 41,1024 12.2,1028 -0.586,1031 45.116,1032 48.91,1034 0.352,1035 0.637,1036 0.745,1037 0.845,1038 0.874,1039 0.891,1040 4.98,1041 1.438,1042 5.872,1043 4.702,1044 4.489,1045 5.011,1046 3.45,1047 6.691,1048 4.317,1049 6.206,1050 1.392,1051 7.454,1052 3.625,1053 4.29,1054 4.82,1055 4.006,1056 7.816,1057 3.895,1058 7.521,1059 1,1060 9.147,1061 3.138,1062 6.151,1063 7.152,1064 5.561,1065 10.79,1066 5.781,1067 8.868,1068 1,1069 10.905,1070 2.275,1071 6.723,1072 7.671,1073 6.735,1074 12.706,1075 6.109,1076 10.242,1077 0.677,1078 12.706,1079 2.136,1080 8.128,1081 9.541,1082 8.102,1083 15.286,1084 7.518,1085 11.635,1086 0.348,1087 14.537,1088 1.648,1089 9.028,1090 10.399,1091 9.406,1092 17.51,1093 8.19,1094 13.042,1095 -0.092,1096 16.39,1097 0.865,1098 10.271,1099 12.052,1100 10.748,1101 19.98,1102 9.394,1103 3.327,1104 -0.55,1105 18.261,1106 -0.216,1107 11.317,1108 13.1,1109 12.081,1110 22.332,1111 10.239,1112 2.951,1113 11.698,1114 20.145,1115 -1.446,1116 12.504,1117 14.632,1118 13.421,1119 24.775,1120 11.347,1121 2.817,1122 9.428,1123 22.041,1124 3.999,1125 13.617,1126 15.797,1127 14.76,1128 27.181,1129 12.281,1130 2.571,1131 8.767,1132 23.946,1133 3.674,1134 14.788,1135 17.258,1136 16.101,1137 29.623,1138 13.347,1139 2.228,1140 7.386,1141 25.859,1142 3.581,1143 15.934,1144 18.495,1145 17.442,1146 32.054,1147 14.327,1148 1.957,1149 6.506,1150 27.778,1151 3.333,1152 17.105,1153 19.915,1154 18.783,1155 34.5,1156 15.374,1157 1.572,1158 5.388,1159 29.703,1160 2.928,1161 18.269,1162 21.2,1163 20.125,1164 36.943,1165 16.379,1166 11433,1167 23531,1168 19.879,1169 30.137,1170 47.364,1171 47.195,1172 47.549,1173 46.938,1174 46.555,1175 60.652,1176 15.356,1177 135.122,1178 42.543,1179 5.353,1180 6.461,1181 6.92,1182 5.29,1183 5.327,1184 6.999,1185 5.529,1186 18.712,1187 4.873,1188 17.555,1189 1.528,1190 1.522,1191 1.534,1192 1.514,1193 1.502,1194 1.957,1195 0.495,1196 4.359,1197 1.372,1198 3.973,1199 3.994,1200 4.034,1201 3.865,1202 8.513,1203 3.874,1204 3.902,1205 3.932,1206 3.873,1207 3.814,1208 7.999,1209 3.815,1210 3.835,1211 3.859,1212 3.798,1213 3.747,1214 7.999,1215 3.752,1216 3.468,1217 3.511,1218 3.517,1219 3.202,1220 7.433,1221 3.243,1222 3.314,1223 3.346,1224 3.4,1225 3.023,1226 5.07,1227 3.076,1228 3.029,1229 3.057,1230 3.113,1231 2.77,1232 4.82,1233 2.799,1234 2.854,1235 2.925,1236 2.91,1237 2.735,1238 4.752,1239 2.715,1240 2.854,1241 2.925,1242 2.691,1243 2.735,1244 4.468,1245 2.715,1246 0.145,1247 0.144,1248 0.23,1249 0.135,1250 0.107,1251 4.482,1252 0.129,1253 4.461,1254 0.123,1255 7.118,1256 0.377,1257 4.185,1258 0.093,1259 3.327,1260 3.999,1261 3.825,1262 11.698,1263 2.873,1264 1.899,1265 1.875,1266 2.017,1267 2.023,1268 1.083,1269 2.015,1270 1.875,1271 1.852,1272 1.97,1273 1.989,1274 1.042,1275 1.983,1276 1.794,1277 1.772,1278 1.849,1279 1.912,1280 0.952,1281 1.901,1282 1.363,1283 1.305,1284 1.635,1285 1.64,1286 0.682,1287 1.633,1288 1.065,1289 1.054,1290 1.181,1291 1.413,1292 0.218,1293 1.298,1294 0.894,1295 0.869,1296 1.181,1297 1.235,1298 0.218,1299 1.183,1300 0.886,1301 0.821,1302 1.124,1303 1.062,1304 0.171,1305 1.107,1306 0.886,1307 0.821,1308 1.056,1309 1.062,1310 0.145,1311 1.107,1312 4.143,1314 5.476,1316 6.993,1318 8.584,1320 10.21,1322 1.577,1323 5.816,1324 37.968,1330 10.67,1333 1.344,1334 -4.548,1340 30.379,1341 82.078,1342 148.547,1343 173.845,1344 197.065,1345 203.82,1346 207.82,1347 69.525,1348 7.242,1349 51.66,1350 51.66,1351 18,1352 12.405,1353 4.322,1354 3.459,1355 52.94,1356 141,1357 118,1358 0.185,1359 188.668,1360 340.17,1361 452.11,1362 14103,1363 9.3,1364 21.018,1365 0.725,1366 0.543,1367 19.018,1368 15.738,1369 13.736,1370 0.443,1371 0.278,1372 8.089,1373 12.682,1374 7.928,1375 6.55,1376 12.814,1377 8.629,1378 13.206,1379 0.3,1380 0.142,1381 11.619,1382 6.252,1383 10.17,1384 0.192,1385 0.077,1386 9.561,1387 4.066,1388 7.592,1389 0.122,1390 0.04,1391 7.427,1392 2.474,1393 6.244,1394 0.081,1395 0.021,1396 5.843,1397 1.614,1398 0.301,1399 91.129,1400 0.224,1401 28.212,1402 0.479,1403 150,1404 717.034,1405 197.743,1406 630.556,1407 811.94,1408 582,1409 172,1410 550.678,1411 210.122,1412 541.931,1413 809.63,1414 506,1415 4.301}
{0 CHEMBL238085,1 1.786,2 13.25,3 5.267,4 27.742,5 95.809,6 9.032,7 0.6,8 3.89,9 3.975,10 3.597,11 3.403,12 5.18,13 3.442,14 4.395,15 4.517,16 4.032,17 3.719,18 6.165,19 3.761,20 4.546,21 4.691,22 3.983,23 3.785,24 5.9,25 3.817,26 4.618,27 4.789,28 3.889,29 3.678,30 6.106,31 3.716,32 4.461,33 4.642,34 3.74,35 3.632,36 5.808,37 3.636,38 4.382,39 4.553,40 3.634,41 3.615,42 5.744,43 3.572,44 4.311,45 4.518,46 3.493,47 3.57,48 5.471,49 3.491,50 4.232,51 4.433,52 3.523,53 3.419,54 5.525,55 3.4,56 0.228,57 0.795,58 5.38,59 3.966,60 28.91,61 3.843,62 1.038,63 1.56,64 12.542,65 6.146,66 139.212,67 6.139,68 0.672,69 1.306,70 15.566,71 7.42,72 55.648,73 7.58,74 1.163,75 1.388,76 20.782,77 7.411,78 123.384,79 6.872,80 0.825,81 1.093,82 17.507,83 6.719,84 96.286,85 7.147,86 0.873,87 0.91,88 15.281,89 6.45,90 80.231,91 7.323,92 0.58,93 0.93,94 15.287,95 6.786,96 59.783,97 8.639,98 0.47,99 0.982,100 13.837,101 6.133,102 47.612,103 7.31,104 27,105 42,106 0.309,107 0.558,108 0.68,109 0.793,110 0.82,111 0.836,112 3.373,113 0.815,114 -5.09,115 -4.99,116 -4.67,121 46.5,126 1,134 1,144 11,145 1,146 3,147 1,149 1,161 1,176 8,179 4,180 9,187 7,192 8,200 4,206 12,214 2,218 1,219 10,227 4,232 2,239 8,243 3,244 1,251 10,256 1,264 6,268 2,269 5,277 2,281 1186,282 18.333,283 18.333,284 18.333,285 18.333,286 18.333,287 16.068,288 21.468,289 10.766,290 18.982,291 14.792,292 14.792,293 14.792,294 14.792,295 14.792,296 11.425,297 25.908,298 5.133,299 15.936,300 3.641,301 2.2,302 1.496,303 0.843,304 0.686,305 0.593,306 4.052,311 1,312 1,313 782,314 4.062,318 326.532,325 2.25,326 46.166,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 64.5,338 371,339 4.44,340 4.46,341 7.111,342 4.168,343 3.314,344 3.846,345 3.825,346 11.657,347 2.856,348 4.198,349 3.801,350 6.339,351 3.887,352 2.95,353 3.674,354 2.208,355 9.428,356 2.758,357 4.055,358 3.074,359 5.624,360 3.639,361 2.707,362 3.58,363 0.86,364 7.804,365 2.529,366 3.811,367 2.788,368 5.405,369 3.382,370 2.462,371 3.176,372 0.655,373 7.125,374 2.234,375 3.577,376 2.595,377 5.068,378 3.125,379 2.168,380 2.903,381 0.13,382 6.097,383 2.06,384 3.323,385 2.313,386 4.868,387 2.894,388 1.936,389 2.584,391 5.349,392 1.831,393 2.908,394 1.91,395 4.554,396 2.475,397 1.564,398 2.027,400 4.598,401 1.404,402 2.869,403 1.73,404 3.773,405 2.399,406 1.411,407 1.987,409 3.139,410 1.365,411 2.5,412 1.047,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.5,421 1,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1,431 3.288,432 1.959,433 1,434 1.5,436 2.136,437 0.956,438 1.948,439 1,440 3.247,441 1.62,442 0.674,443 0.804,445 1.641,446 0.629,447 1.542,448 0.889,449 3.014,450 1.154,451 0.237,452 0.291,454 0.591,455 0.214,456 1.127,457 0.51,458 2.67,459 0.711,460 -0.225,461 -0.285,463 -0.554,464 -0.207,465 0.702,466 0.51,467 2.465,468 0.261,469 -0.687,470 -0.88,472 -1.608,473 -0.637,474 12.657,475 0.452,476 0.846,477 0.03,478 39.25,479 1.402,480 21,481 0.75,482 18.25,483 0.652,484 18.176,485 0.649,486 30.543,487 0.71,488 31.986,489 1.142,490 8.293,491 0.296,492 5.033,493 0.18,494 0.134,495 0.04,496 0.269,498 3,501 0.643,502 1.002,503 0.588,504 1.105,505 0.604,506 0.921,507 0.485,508 0.715,509 0.662,510 0.931,511 0.385,512 0.905,513 0.888,514 0.982,515 0.867,516 1.163,517 0.604,518 1.063,519 1.341,520 0.869,521 1.255,522 0.928,523 1.202,524 1.007,525 0.94,526 0.752,527 0.998,528 0.879,529 0.969,530 0.93,531 0.525,532 0.552,533 0.967,534 0.939,535 0.584,536 1.108,537 0.352,538 0.648,539 0.769,540 0.996,541 0.393,542 1.09,543 0.678,544 1.033,545 0.73,546 1.173,547 0.591,548 1.062,549 7,550 0.173,551 3.333,552 1.813,553 1.356,554 0.833,555 0.544,556 0.358,557 0.254,558 0.202,559 10952,560 42256,561 2.005,562 34.9,564 14,566 1,572 1.702,573 1.856,574 3.665,575 -0.707,582 76.778,583 1.786,584 3.227,585 3.93,586 4.583,587 4.74,588 4.833,589 3.111,590 3.557,591 4.778,592 3.89,593 1470.25,594 8.263,595 20749.3,600 233.329,601 1.598,602 4.719,603 0.233,604 0.01,605 0.079,606 0.044,607 0.039,608 0.026,609 0.019,610 0.014,611 0.01,612 0.009,613 0.484,614 0.33,615 1,616 0.787,617 144.741,618 -0.043,619 -0.132,620 0.035,621 -0.122,622 -0.104,623 -0.043,624 0.42,625 0.301,626 0.143,627 0.027,628 0.437,629 -0.035,630 -0.108,631 -0.211,632 -0.01,633 -0.215,634 0.009,635 -0.115,636 -0.224,637 0.068,638 -0.243,639 0.008,640 -0.149,641 -0.086,642 -0.107,643 0.004,644 -0.041,645 0.063,646 -0.12,647 0.061,648 0.176,649 0.098,650 -0.06,651 0.015,652 0.045,653 -0.092,654 0.206,655 -0.013,656 0.18,657 0.001,658 0.096,659 0.038,660 0.045,661 -0.242,662 0.256,663 -0.17,664 0.087,665 0.034,666 5.704,667 5.172,668 0.643,669 30.862,670 1.042,671 1.139,672 3.858,673 14.888,674 0.681,675 3.434,676 3.761,677 3.932,678 4.078,679 4.263,680 4.234,681 4.317,682 4.369,683 4.369,684 4.443,685 7.875,686 0.687,687 388.37,688 3.434,689 4.977,690 5.796,691 6.658,692 7.492,693 8.352,694 9.19,695 10.05,696 10.89,697 11.749,698 4.7,705 1,708 1,715 12,716 1,720 5,722 18,737 1,739 1,741 43,743 19,744 2,745 30,747 45,748 20,749 17,750 3,751 9,756 3,757 3,763 1,769 1,772 18,773 2,777 1,782 1,786 1,791 3,793 15,794 8,796 8,802 2,808 1,809 3,822 1,829 3,859 3,864 1,866 3,868 28,878 2,881 1,882 1,892 3,893 7,896 1,898 2,901 15.083,902 8.079,903 6.056,904 2.322,907 3.046,908 1.425,909 0.968,910 5.86,911 10.207,912 3.714,913 4.284,914 4.764,915 5.252,916 5.765,917 5.775,918 6.086,919 6.374,920 6.618,921 6.988,922 0.889,923 41,924 10.736,926 4.959,927 0.026,929 8.366,931 18.527,933 14.471,936 2.866,937 80.25,941 176.567,942 157.448,943 19.91,945 47.145,946 44.88,948 157.448,949 223.711,950 64.79,951 8.396,952 3.124,953 104.239,954 53.702,955 92.357,956 11.577,957 164.795,958 7.76,959 176.567,960 177.358,961 92.025,964 176.567,965 92.025,968 19.931,969 140.641,970 16.786,972 221.447,973 67.055,974 157.448,977 184.326,978 28.006,979 124.807,981 108.811,982 176.567,983 111.935,984 157.448,986 0.59,987 0.326,988 0.156,989 0.083,990 19,991 9,992 0.111,993 5,995 1,996 4.038,997 224.951,999 18,1000 121.851,1005 19.715,1006 8.322,1007 5.25,1009 111.935,1010 17.772,1011 3.634,1015 0.469,1018 445.95,1019 40,1024 12.172,1028 -0.565,1031 44.792,1032 48.966,1034 0.329,1035 0.595,1036 0.724,1037 0.845,1038 0.874,1039 0.891,1040 4.945,1041 1.411,1042 5.814,1043 4.598,1044 4.443,1045 4.97,1046 3.45,1047 6.616,1048 4.295,1049 6.161,1050 1,1051 7.383,1052 3.139,1053 4.205,1054 4.705,1055 4.006,1056 7.732,1057 3.845,1058 7.466,1059 1,1060 9.065,1061 2.275,1062 6.089,1063 7.087,1064 5.561,1065 10.692,1066 5.754,1067 8.803,1068 1,1069 10.815,1070 2.275,1071 6.635,1072 7.527,1073 6.735,1074 12.62,1075 6.062,1076 10.168,1077 0.674,1078 12.612,1079 2.136,1080 8.054,1081 9.441,1082 8.102,1083 15.191,1084 7.483,1085 11.552,1086 0.237,1087 14.441,1088 1.641,1089 8.938,1090 10.219,1091 9.406,1092 17.431,1093 8.142,1094 12.951,1095 -0.225,1096 16.294,1097 0.591,1098 10.188,1099 11.906,1100 10.748,1101 19.899,1102 9.352,1103 3.314,1104 -0.687,1105 18.167,1106 -0.554,1107 11.227,1108 12.879,1109 12.081,1110 22.262,1111 10.188,1112 2.95,1113 11.657,1114 20.054,1115 -1.608,1116 12.417,1117 14.432,1118 13.421,1119 24.706,1120 11.299,1121 2.707,1122 9.428,1123 21.954,1124 3.846,1125 13.528,1126 15.528,1127 14.76,1128 27.118,1129 12.227,1130 2.462,1131 7.804,1132 23.863,1133 3.674,1134 14.701,1135 16.998,1136 16.101,1137 29.56,1138 13.292,1139 2.168,1140 7.125,1141 25.781,1142 3.58,1143 15.846,1144 18.173,1145 17.442,1146 31.994,1147 14.268,1148 1.936,1149 6.097,1150 27.706,1151 3.176,1152 17.018,1153 19.59,1154 18.783,1155 34.439,1156 15.312,1157 1.564,1158 5.349,1159 29.636,1160 2.903,1161 18.181,1162 20.817,1163 20.125,1164 36.882,1165 16.314,1166 10662,1167 21233,1168 19.474,1169 29.279,1170 45.674,1171 45.053,1172 45.439,1173 45.137,1174 44.847,1175 58.745,1176 15.356,1177 128.228,1178 41.669,1179 5.311,1180 6.46,1181 6.913,1182 5.27,1183 5.314,1184 6.846,1185 5.529,1186 18.535,1187 4.856,1188 15.805,1189 1.522,1190 1.502,1191 1.515,1192 1.505,1193 1.495,1194 1.958,1195 0.512,1196 4.274,1197 1.389,1198 3.971,1199 3.995,1200 3.929,1201 3.861,1202 8.513,1203 3.869,1204 3.9,1205 3.933,1206 3.848,1207 3.811,1208 7.999,1209 3.812,1210 3.833,1211 3.859,1212 3.785,1213 3.735,1214 7.999,1215 3.744,1216 3.468,1217 3.511,1218 3.412,1219 3.202,1220 7.433,1221 3.243,1222 3.308,1223 3.347,1224 3.321,1225 2.993,1226 5.004,1227 3.055,1228 3.028,1229 3.057,1230 2.917,1231 2.759,1232 4.781,1233 2.793,1234 2.854,1235 2.925,1236 2.691,1237 2.735,1238 4.742,1239 2.715,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 4.329,1245 2.715,1246 0.148,1247 0.149,1248 0.237,1249 0.139,1250 0.11,1251 4.44,1252 0.128,1253 4.46,1254 0.128,1255 7.111,1256 0.389,1257 4.168,1258 0.095,1259 3.314,1260 3.846,1261 3.825,1262 11.657,1263 2.856,1264 1.9,1265 1.875,1266 2.017,1267 2.027,1268 1.083,1269 2.017,1270 1.877,1271 1.852,1272 1.976,1273 1.995,1274 1.043,1275 1.99,1276 1.799,1277 1.771,1278 1.892,1279 1.918,1280 0.959,1281 1.912,1282 1.363,1283 1.305,1284 1.635,1285 1.64,1286 0.682,1287 1.633,1288 1.074,1289 1.053,1290 1.181,1291 1.426,1292 0.22,1293 1.317,1294 0.898,1295 0.868,1296 1.181,1297 1.237,1298 0.218,1299 1.188,1300 0.886,1301 0.821,1302 1.165,1303 1.062,1304 0.218,1305 1.107,1306 0.886,1307 0.821,1308 1.108,1309 1.062,1310 0.168,1311 1.107,1312 4.111,1314 5.434,1316 6.94,1318 8.518,1320 10.13,1322 1.589,1324 37.604,1330 10.673,1333 1.358,1334 -4.454,1340 29.552,1341 76.778,1342 138.746,1343 169.011,1344 197.065,1345 203.82,1346 207.82,1347 60.943,1348 7.162,1349 51.66,1350 51.66,1351 18,1352 12.304,1353 4.322,1354 3.459,1355 50.191,1356 137,1357 108,1358 0.181,1359 180.335,1360 324.96,1361 431.777,1362 12890,1363 7,1364 20.148,1365 0.72,1366 0.524,1367 17.648,1368 14.681,1369 13.326,1370 0.444,1371 0.272,1372 7.954,1373 12.552,1374 7.828,1375 6.488,1376 12.114,1377 8.145,1378 12.676,1379 0.302,1380 0.136,1381 10.719,1382 5.719,1383 9.701,1384 0.194,1385 0.075,1386 8.765,1387 3.732,1388 7.303,1389 0.126,1390 0.038,1391 6.604,1392 2.231,1393 5.743,1394 0.082,1395 0.02,1396 5.479,1397 1.422,1398 0.297,1399 85.49,1400 0.227,1401 27.525,1402 0.466,1403 144,1404 682.83,1405 176.224,1406 568.353,1407 739.87,1408 526,1409 164,1410 522.816,1411 188.939,1412 503.973,1413 751.37,1414 471,1415 4.301}
{0 CHEMBL238230,1 1.328,2 14.974,3 6.957,4 48.405,5 156.448,6 6.668,7 0.512,8 4.403,9 4.534,10 3.89,11 4.001,12 5.34,13 3.945,14 4.994,15 5.182,16 4.242,17 4.431,18 5.859,19 4.341,20 5.32,21 5.569,22 4.35,23 4.577,24 6.154,25 4.465,26 5.307,27 5.551,28 4.297,29 4.552,30 6.162,31 4.436,32 5.305,33 5.54,34 4.224,35 4.579,36 6.141,37 4.439,38 5.381,39 5.64,40 4.083,41 4.597,42 6.1,43 4.41,44 5.405,45 5.704,46 3.943,47 4.504,48 6.069,49 4.289,50 5.251,51 5.558,52 3.89,53 4.303,54 6.012,55 4.118,56 0.077,57 1.085,58 17.368,59 7.473,60 8.786,61 10.486,62 0.167,63 1.861,64 32.352,65 13.207,66 17.254,67 18.893,68 0.354,69 2.435,70 46.644,71 17.112,72 42.502,73 25.055,74 0.464,75 2.445,76 46.33,77 16.125,78 47.959,79 23.759,80 0.477,81 2.397,82 45.804,83 17.121,84 50.943,85 24.86,86 0.324,87 2.478,88 49.169,89 19.817,90 38.291,91 28.535,92 0.313,93 2.409,94 51.07,95 20.521,96 38.94,97 29.762,98 0.339,99 2.018,100 44.391,101 17.059,102 42.404,103 24.608,104 2,105 59,106 0.203,107 0.489,108 0.625,109 0.726,110 0.75,111 0.75,112 3.667,113 1.017,114 -5.15,115 -5.05,116 -4.73,121 43.4,123 12,127 2,144 8,145 4,146 2,148 4,158 1,176 18,180 10,185 6,187 19,192 10,197 6,200 14,206 4,209 2,211 8,214 17,222 2,224 6,227 24,232 2,237 2,239 24,244 6,251 20,256 4,260 1,264 12,268 2,269 10,277 12,281 2732,282 26.673,283 26.673,284 26.673,285 26.673,286 26.673,287 23.943,288 27.987,289 16.205,290 26.859,291 21.322,292 21.322,293 21.322,294 21.322,295 21.322,296 16.972,297 31.334,298 7.726,299 21.633,300 4.92,301 3.048,302 2.158,303 1.5,304 1.342,305 1.342,306 4.392,312 1,313 1289,314 4,318 548.673,322 627.648,325 2.141,326 25.593,329 0.75,330 0.5,331 0.67,332 0.7,333 0.5,334 0.83,335 1,336 0.71,337 79,338 569,339 4.64,340 3.621,341 6.829,342 4.207,343 3.226,344 4.564,345 2.178,346 11.348,347 3.162,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 4.564,354 0.4,355 11.348,356 3.162,357 3.914,358 3.361,359 5.982,360 3.524,361 2.532,362 3.437,363 0.4,364 8.37,365 2.512,366 3.914,367 2.668,368 5.982,369 3.524,370 2.532,371 3.437,373 8.37,374 2.512,375 3.66,376 2.668,377 5.382,378 3.424,379 2.385,380 2.895,382 6.712,383 2.474,384 3.522,385 2.355,386 5.381,387 3.132,388 2.179,389 2.893,391 6.711,392 2.075,393 3.518,394 2.353,395 5.034,396 3.122,397 2.165,398 2.825,400 6.09,401 2.068,402 2.939,403 1.784,404 4.116,405 2.575,406 1.6,407 2.142,409 3.525,410 1.558,411 2.939,412 1.766,413 4.116,414 2.522,415 1.537,416 2.142,418 3.416,419 1.512,420 2.674,421 1.535,422 3.96,423 2.494,424 1.502,425 1.706,427 3.329,428 1.489,429 2.635,430 1.53,431 3.938,432 2.367,433 1.384,434 1.671,436 3.329,437 1.354,438 2.537,439 1.436,440 3.666,441 2.345,442 1.347,443 1.543,445 3.143,446 1.343,447 2.497,448 1.436,449 3.611,450 2.345,451 1.347,452 1.495,454 2.962,455 1.343,456 2.482,457 1.35,458 3.594,459 2.242,460 1.247,461 1.482,463 2.902,464 1.24,465 2.447,466 1.35,467 3.594,468 2.242,469 1.247,470 1.432,472 2.902,473 1.24,474 18.433,475 0.485,476 0.654,477 0.017,478 46.25,479 1.217,480 22.5,481 0.592,482 23.75,483 0.625,484 39.861,485 1.049,486 40.367,487 0.531,488 32.585,489 0.858,490 8.028,491 0.211,492 10.748,493 0.283,494 0.018,496 0.298,501 0.771,502 1.187,503 0.892,504 1.041,505 0.564,506 0.984,507 0.797,508 1.243,509 0.969,510 1.122,511 0.623,512 1.067,513 1.173,514 1.071,515 0.907,516 0.917,517 1.106,518 0.894,519 1.448,520 1.028,521 1.098,522 0.957,523 1.248,524 0.986,525 1.237,526 1.042,527 1.208,528 1.077,529 1.155,530 1.127,531 0.884,532 1.065,533 1.177,534 1.173,535 0.836,536 1.194,537 0.648,538 0.955,539 0.96,540 1.043,541 0.688,542 1.03,543 0.913,544 0.796,545 0.8,546 0.87,547 1.134,548 0.835,549 4.5,550 0.14,551 3.778,552 2.5,553 2.32,554 0.708,555 0.478,556 0.354,557 0.411,558 0.24,559 28695,560 55784,561 2.208,562 50,563 12,564 12,567 2,568 8,569 4,572 1.781,573 2.151,574 3.747,575 0.044,582 100.956,583 1.328,584 3.2,585 4.09,586 4.748,587 4.906,588 4.906,589 2.985,590 3.669,591 5.231,592 4.05,593 2847.3,594 9.165,595 52047.2,600 474.842,601 1.03,602 5.213,603 0.105,604 0.005,605 0.064,606 0.039,607 0.039,608 0.013,609 0.011,610 0.009,611 0.011,612 0.006,613 0.302,614 0.17,615 0.75,616 0.276,617 216.146,618 -0.005,619 -0.019,620 0.062,621 0.038,622 0.038,623 0.052,624 0.014,625 -0.15,626 -0.004,627 -0.085,628 0.028,629 -0.053,630 -0.021,631 -0.042,632 0.095,633 0.058,634 -0.025,635 0.08,636 -0.104,637 0.047,638 -0.08,639 -0.007,640 -0.104,641 -0.036,642 -0.079,643 0.008,644 -0.212,645 -0.095,646 -0.087,647 -0.153,648 -0.11,649 -0.09,650 -0.211,651 -0.169,652 -0.092,653 -0.192,654 0.045,655 -0.051,656 0.007,657 -0.051,658 0.036,659 -0.028,660 0.143,661 0.094,662 0.196,663 0.101,664 0.145,665 0.149,666 1.308,667 5.68,668 0.737,669 39.911,670 0.984,671 1.122,672 3.924,673 15.398,674 0.663,675 3.784,676 4.094,677 4.419,678 4.736,679 5.03,680 5.1,681 5.242,682 5.357,683 5.425,684 5.268,685 9.493,686 0.615,687 506.75,688 3.784,689 5.323,690 6.188,691 7.072,692 7.958,693 8.853,694 9.747,695 10.647,696 11.546,697 12.448,698 5.3,703 2,708 2,714 4,715 8,716 2,720 6,722 22,734 2,741 76,743 23,744 2,745 43,747 81,748 33,749 18,750 4,751 8,756 6,757 12,767 8,770 12,772 19,773 14,777 1,782 1,786 1,793 38,794 5,795 2,796 5,802 4,808 0.333,809 1,822 2,829 6,833 4,841 1,859 2,868 38,876 14,877 2,893 1.3,896 1,901 17.667,902 13.483,903 8.389,904 5.367,907 4.637,908 1.519,909 1.028,910 7.764,911 13.565,912 4.025,913 4.635,914 5.278,915 5.92,916 6.542,917 6.874,918 7.259,919 7.611,920 7.915,921 7.736,922 1,923 64,924 14.179,926 6.095,927 0.026,929 7.43,931 28.406,933 24.547,936 1.93,937 73.333,941 423.76,942 142.402,943 69.593,945 25.145,948 142.402,949 448.905,950 69.593,952 34.626,953 75.81,954 99.871,955 26.832,957 423.76,959 423.76,960 211.994,961 25.145,964 376.675,965 72.229,968 44.428,969 97.974,970 69.593,972 423.76,973 94.737,974 142.402,977 423.76,978 66.592,979 75.81,980 36.022,981 58.716,982 423.76,983 94.737,984 142.402,986 0.569,987 0.341,988 0.201,989 0.117,990 29,991 11,992 0.123,993 10,994 4,995 1.286,996 5.03,997 371.343,998 0.286,999 28,1000 163.421,1005 25.165,1006 11.724,1007 5.536,1008 4.553,1009 94.737,1010 16.858,1011 9.867,1015 7.773,1017 36.022,1018 660.899,1019 55,1024 12.68,1028 0.358,1031 74.756,1032 85.261,1034 0.213,1035 0.512,1036 0.655,1037 0.76,1038 0.785,1039 0.785,1040 5.26,1041 1.6,1042 6.146,1043 6.09,1044 4.779,1045 5.323,1046 2.207,1047 6.969,1048 4.749,1049 6.448,1050 1.537,1051 7.699,1052 3.525,1053 4.205,1054 5.165,1055 2.036,1056 7.901,1057 4.168,1058 7.757,1059 1.502,1060 9.363,1061 3.416,1062 6.361,1063 7.59,1064 3.363,1065 11.073,1066 6.3,1067 9.11,1068 1.384,1069 11.097,1070 3.329,1071 6.698,1072 8.341,1073 3.746,1074 12.903,1075 6.624,1076 10.504,1077 1.347,1078 12.877,1079 3.329,1080 8.258,1081 10.217,1082 4.782,1083 15.578,1084 8.162,1085 11.927,1086 1.347,1087 14.69,1088 3.143,1089 9.039,1090 11.383,1091 5.379,1092 17.759,1093 8.924,1094 13.372,1095 1.247,1096 16.525,1097 2.962,1098 10.353,1099 13.045,1100 6.279,1101 20.273,1102 10.217,1103 3.226,1104 1.247,1105 18.376,1106 2.902,1107 11.347,1108 14.403,1109 6.973,1110 22.596,1111 11.188,1112 3.226,1113 11.348,1114 20.24,1115 2.902,1116 12.563,1117 15.977,1118 7.81,1119 25.055,1120 12.384,1121 2.532,1122 11.348,1123 22.113,1124 4.564,1125 13.654,1126 17.423,1127 8.548,1128 27.438,1129 13.451,1130 2.532,1131 8.37,1132 23.994,1133 4.564,1134 14.836,1135 18.963,1136 9.354,1137 29.877,1138 14.611,1139 2.385,1140 8.37,1141 25.881,1142 3.437,1143 15.97,1144 20.448,1145 10.114,1146 32.285,1147 15.722,1148 2.179,1149 6.712,1150 27.773,1151 3.437,1152 17.141,1153 21.974,1154 10.905,1155 34.718,1156 16.871,1157 2.165,1158 6.711,1159 29.67,1160 2.895,1161 18.294,1162 23.476,1163 11.675,1164 37.137,1165 18.001,1166 25781,1167 36098,1168 30.107,1169 50.421,1170 63.477,1171 65.036,1172 64.817,1173 63.556,1174 63.57,1175 81.674,1176 5.957,1177 179.924,1178 62.636,1179 5.604,1180 5.621,1181 6.532,1182 5.247,1183 5.226,1184 7.564,1185 3.677,1186 18.879,1187 5.162,1188 8.292,1189 1.476,1190 1.512,1191 1.507,1192 1.478,1193 1.478,1194 1.899,1195 0.139,1196 4.184,1197 1.457,1198 4.136,1199 4.168,1200 4.093,1201 4.062,1202 7.426,1203 4.065,1204 4.088,1205 4.118,1206 4.052,1207 4.018,1208 4.989,1209 4.023,1210 3.779,1211 3.827,1212 3.664,1213 3.656,1214 4.954,1215 3.646,1216 3.732,1217 3.781,1218 3.617,1219 3.649,1220 4.414,1221 3.635,1222 3.731,1223 3.78,1224 3.615,1225 3.63,1226 4.411,1227 3.623,1228 3.563,1229 3.644,1230 3.403,1231 3.394,1232 4.247,1233 3.384,1234 3.36,1235 3.425,1236 3.243,1237 3.197,1238 4.222,1239 3.197,1240 3.239,1241 3.3,1242 3.102,1243 3.126,1244 3.984,1245 3.113,1246 0.108,1247 0.084,1248 0.159,1249 0.098,1250 0.075,1251 4.64,1252 0.106,1253 3.621,1254 0.051,1255 6.829,1256 0.264,1257 4.207,1258 0.074,1259 3.226,1260 4.564,1261 2.178,1262 11.348,1263 3.162,1264 2.072,1265 2.047,1266 2.159,1267 2.163,1268 1.436,1269 2.164,1270 2.072,1271 2.046,1272 2.158,1273 2.162,1274 1.435,1275 2.162,1276 1.758,1277 1.712,1278 1.976,1279 1.932,1280 1.289,1281 1.948,1282 1.754,1283 1.709,1284 1.949,1285 1.873,1286 1.179,1287 1.902,1288 1.752,1289 1.705,1290 1.947,1291 1.872,1292 1.142,1293 1.901,1294 1.563,1295 1.489,1296 1.831,1297 1.771,1298 1.111,1299 1.795,1300 1.326,1301 1.269,1302 1.54,1303 1.544,1304 0.764,1305 1.545,1306 1.25,1307 1.196,1308 1.474,1309 1.407,1310 0.757,1311 1.431,1312 4.466,1314 5.778,1316 7.307,1318 8.948,1320 10.651,1328 13.853,1329 7.391,1340 46.756,1341 100.956,1342 243.217,1343 310.803,1344 360.842,1345 372.842,1346 372.842,1347 60.702,1348 8.928,1349 66.91,1350 66.91,1351 36,1352 12.97,1353 4.585,1354 3.7,1355 53.583,1356 227,1357 142,1358 0.112,1359 281.929,1360 485.45,1361 679.668,1362 143565,1364 25.736,1365 0.677,1366 0.587,1367 25.736,1368 22.321,1369 18.776,1370 0.437,1371 0.339,1372 14.497,1373 18.446,1374 14.222,1375 11.723,1376 18.776,1377 14.582,1378 16.307,1379 0.276,1380 0.184,1381 16.307,1382 10.872,1383 14.251,1384 0.174,1385 0.1,1386 14.251,1387 8.207,1388 12.53,1389 0.111,1390 0.056,1391 12.53,1392 6.272,1393 10.941,1394 0.072,1395 0.032,1396 10.941,1397 4.803,1398 0.184,1399 114.958,1400 0.182,1401 35.231,1402 0.283,1403 204,1404 445.691,1405 213.653,1406 444.337,1407 633,1408 422,1409 243,1410 482.65,1411 253.321,1412 491.445,1413 727.7,1414 470,1415 8.738}
{0 CHEMBL238256,1 1.779,2 13.25,3 5.257,4 27.636,5 98.055,6 8.804,7 0.6,8 3.906,9 4.007,10 3.591,11 3.422,12 5.176,13 3.451,14 4.41,15 4.547,16 4.023,17 3.752,18 6.153,19 3.777,20 4.575,21 4.743,22 3.976,23 3.835,24 5.894,25 3.843,26 4.671,27 4.867,28 3.888,29 3.741,30 6.114,31 3.75,32 4.517,33 4.72,34 3.735,35 3.673,36 5.816,37 3.659,38 4.398,39 4.586,40 3.614,41 3.638,42 5.675,43 3.588,44 4.372,45 4.592,46 3.496,47 3.595,48 5.539,49 3.517,50 4.261,51 4.47,52 3.519,53 3.443,54 5.546,55 3.416,56 0.19,57 0.842,58 6.06,59 3.898,60 25.485,61 4.035,62 0.982,63 1.628,64 13.396,65 6.182,66 136.661,67 6.61,68 0.541,69 1.411,70 16.503,71 7.353,72 46.08,73 8.262,74 1.052,75 1.465,76 22.748,77 7.718,78 115.906,79 8.139,80 0.743,81 1.141,82 19.729,83 7.156,84 93.575,85 8.204,86 0.643,87 1.029,88 15.786,89 6.37,90 60.874,91 7.61,92 0.578,93 1.038,94 17.121,95 7.155,96 70.413,97 8.84,98 0.43,99 1.022,100 14.616,101 6.098,102 46.512,103 7.384,104 27,105 42,106 0.306,107 0.578,108 0.696,109 0.814,110 0.84,111 0.84,112 3.373,113 0.824,114 -5.09,115 -4.99,116 -4.67,121 45.5,126 1,134 1,144 11,145 1,146 3,147 1,149 1,161 1,176 8,179 3,180 6,183 1,185 3,187 7,192 5,197 3,200 4,206 11,211 1,214 2,219 10,222 1,227 4,232 2,239 8,243 1,244 1,247 2,251 10,256 1,264 6,268 2,269 3,274 2,277 2,281 1186,282 18.333,283 18.333,284 18.333,285 18.333,286 18.333,287 16.068,288 24.485,289 10.766,290 18.917,291 14.792,292 14.792,293 14.792,294 14.792,295 14.792,296 11.425,297 35.268,298 5.133,299 15.816,300 3.681,301 2.104,302 1.416,303 0.733,304 0.58,305 0.58,306 4.052,311 1,312 1,313 782,314 4.062,318 326.532,325 2.25,326 43.575,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 64,338 371,339 4.44,340 4.46,341 7.111,342 4.169,343 3.314,344 3.846,345 3.825,346 11.657,347 2.86,348 4.198,349 3.801,350 6.339,351 3.888,352 2.95,353 3.674,354 2.208,355 9.428,356 2.759,357 4.055,358 2.893,359 5.624,360 3.661,361 2.707,362 3.58,363 0.655,364 7.804,365 2.58,366 3.811,367 2.754,368 5.405,369 3.396,370 2.462,371 3.176,372 0.4,373 7.125,374 2.28,375 3.577,376 2.575,377 5.068,378 3.13,379 2.168,380 2.903,381 0.13,382 6.097,383 2.071,384 3.323,385 2.253,386 4.868,387 2.901,388 1.936,389 2.584,391 5.349,392 1.85,393 2.908,394 1.856,395 4.554,396 2.482,397 1.564,398 2.027,400 4.598,401 1.409,402 2.869,403 1.73,404 3.773,405 2.4,406 1.411,407 1.987,409 3.139,410 1.372,411 2.5,412 1.045,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.5,421 1,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1,431 3.288,432 1.959,433 1,434 1.5,436 2.136,437 0.956,438 1.948,439 1,440 3.247,441 1.621,442 0.674,443 0.804,445 1.641,446 0.631,447 1.542,448 0.84,449 3.014,450 1.185,451 0.237,452 0.291,454 0.591,455 0.222,456 1.127,457 0.51,458 2.67,459 0.725,460 -0.225,461 -0.285,463 -0.554,464 -0.211,465 0.702,466 0.51,467 2.465,468 0.273,469 -0.687,470 -0.88,472 -1.608,473 -0.649,474 12.724,475 0.454,476 0.846,477 0.03,478 39.25,479 1.402,480 21,481 0.75,482 18.25,483 0.652,484 18.302,485 0.654,486 30.476,487 0.693,488 31.861,489 1.138,490 8.265,491 0.295,492 5.061,493 0.181,494 0.133,495 0.039,496 0.267,498 3,501 0.627,502 1.022,503 0.616,504 1.066,505 0.596,506 0.907,507 0.43,508 0.753,509 0.679,510 0.938,511 0.374,512 0.928,513 0.777,514 1.014,515 0.874,516 1.171,517 0.572,518 1.095,519 1.222,520 0.867,521 1.196,522 0.952,523 1.118,524 1.026,525 0.941,526 0.733,527 0.964,528 0.869,529 0.921,530 0.908,531 0.644,532 0.523,533 1.006,534 0.958,535 0.645,536 1.107,537 0.607,538 0.72,539 0.911,540 0.984,541 0.663,542 1.075,543 0.729,544 1.032,545 0.778,546 1.134,547 0.655,548 1.042,549 7,550 0.173,551 3.333,552 1.813,553 1.356,554 0.833,555 0.544,556 0.358,557 0.254,558 0.202,559 10952,560 41120,561 2.005,562 36.4,564 14,566 1,567 1,572 1.702,573 1.856,574 3.665,575 -0.288,582 78.267,583 1.779,584 3.355,585 4.043,586 4.726,587 4.88,588 4.88,589 3.111,590 3.557,591 4.778,592 3.89,593 1470.25,594 8.263,595 20749.3,600 240.215,601 1.598,602 4.719,603 0.233,604 0.01,605 0.079,606 0.044,607 0.039,608 0.026,609 0.019,610 0.014,611 0.01,612 0.009,613 0.484,614 0.33,615 1,616 0.787,617 144.741,618 -0.049,619 -0.125,620 0.025,621 -0.082,622 -0.104,623 -0.019,624 0.455,625 0.276,626 0.127,627 0.026,628 0.44,629 -0.047,630 -0.077,631 -0.218,632 -0.032,633 -0.23,634 0.016,635 -0.145,636 -0.159,637 0.049,638 -0.186,639 -0.018,640 -0.106,641 -0.085,642 -0.11,643 0.002,644 0.012,645 0.082,646 -0.095,647 0.101,648 0.036,649 0.147,650 -0.113,651 -0.007,652 -0.025,653 -0.104,654 0.077,655 0.043,656 0.058,657 0.027,658 -0.01,659 0.021,660 0.015,661 -0.236,662 0.195,663 -0.136,664 0.058,665 0.026,666 5.677,667 5.188,668 0.643,669 30.862,670 1.036,671 1.142,672 3.858,673 14.888,674 0.678,675 3.434,676 3.761,677 3.932,678 4.078,679 4.263,680 4.234,681 4.317,682 4.369,683 4.369,684 4.443,685 7.875,686 0.679,687 387.39,688 3.434,689 4.977,690 5.796,691 6.658,692 7.492,693 8.352,694 9.19,695 10.05,696 10.89,697 11.749,698 6.8,705 1,706 1,708 1,715 12,716 1,720 5,722 18,734 1,737 1,741 44,743 19,744 2,745 30,747 46,748 20,749 17,750 3,751 9,756 3,757 3,763 1,769 1,772 18,773 2,777 1,782 1,786 1,791 3,793 16,794 8,795 1,796 8,802 3,808 1,809 2,822 1,829 3,859 3,864 1,866 3,868 28,877 1,878 1,881 1,882 1,892 3,893 4.5,896 1,898 1,901 15.083,902 8.162,903 6.056,904 2.364,907 3.046,908 1.425,909 0.979,910 5.86,911 10.207,912 3.714,913 4.284,914 4.764,915 5.252,916 5.765,917 5.775,918 6.086,919 6.374,920 6.618,921 6.988,922 0.889,923 41,924 10.722,926 4.937,927 0.026,929 8.33,931 18.624,933 14.623,936 2.83,937 79.25,941 176.567,942 152.475,943 37.921,945 36.145,946 44.88,948 152.475,949 212.711,950 82.801,951 8.396,952 3.124,953 104.239,954 53.702,955 96.881,956 9.09,957 164.795,958 7.76,959 176.567,960 190.396,961 81.025,964 176.567,965 81.025,968 37.942,969 135.668,970 16.786,972 221.447,973 74.065,974 152.475,977 184.326,978 23.033,979 124.807,980 18.011,981 97.811,982 176.567,983 118.946,984 152.475,986 0.59,987 0.326,988 0.156,989 0.083,990 19,991 9,992 0.109,993 5,995 1,996 4.038,997 224.951,999 18,1000 121.851,1005 19.715,1006 8.322,1007 5.25,1009 118.946,1010 18.399,1011 3.745,1015 1.061,1017 18.011,1018 447.987,1019 40,1024 12.188,1028 -0.545,1031 45.567,1032 50.254,1034 0.326,1035 0.615,1036 0.741,1037 0.866,1038 0.894,1039 0.894,1040 4.945,1041 1.411,1042 5.814,1043 4.598,1044 4.443,1045 4.97,1046 3.412,1047 6.616,1048 4.31,1049 6.161,1050 1,1051 7.383,1052 3.139,1053 4.205,1054 4.705,1055 4.006,1056 7.732,1057 3.869,1058 7.466,1059 1,1060 9.065,1061 2.275,1062 6.089,1063 7.087,1064 5.557,1065 10.692,1066 5.783,1067 8.803,1068 1,1069 10.815,1070 2.275,1071 6.635,1072 7.527,1073 6.735,1074 12.62,1075 6.098,1076 10.168,1077 0.674,1078 12.612,1079 2.136,1080 8.054,1081 9.441,1082 8.101,1083 15.191,1084 7.522,1085 11.552,1086 0.237,1087 14.441,1088 1.641,1089 8.938,1090 10.219,1091 9.406,1092 17.431,1093 8.186,1094 12.951,1095 -0.225,1096 16.294,1097 0.591,1098 10.188,1099 11.906,1100 10.748,1101 19.899,1102 9.397,1103 3.314,1104 -0.687,1105 18.167,1106 -0.554,1107 11.227,1108 12.879,1109 12.081,1110 22.262,1111 10.235,1112 2.95,1113 11.657,1114 20.054,1115 -1.608,1116 12.417,1117 14.432,1118 13.421,1119 24.706,1120 11.347,1121 2.707,1122 9.428,1123 21.954,1124 3.846,1125 13.528,1126 15.528,1127 14.76,1128 27.118,1129 12.276,1130 2.462,1131 7.804,1132 23.863,1133 3.674,1134 14.701,1135 16.998,1136 16.101,1137 29.56,1138 13.342,1139 2.168,1140 7.125,1141 25.781,1142 3.58,1143 15.846,1144 18.173,1145 17.442,1146 31.994,1147 14.318,1148 1.936,1149 6.097,1150 27.706,1151 3.176,1152 17.018,1153 19.59,1154 18.783,1155 34.439,1156 15.363,1157 1.564,1158 5.349,1159 29.636,1160 2.903,1161 18.181,1162 20.817,1163 20.125,1164 36.882,1165 16.364,1166 10662,1167 20931,1168 19.474,1169 29.83,1170 45.674,1171 45.122,1172 45.439,1173 45.142,1174 44.847,1175 58.745,1176 14.436,1177 128.228,1178 41.981,1179 5.311,1180 6.46,1181 6.913,1182 5.254,1183 5.314,1184 6.846,1185 5.529,1186 18.535,1187 4.86,1188 15.805,1189 1.522,1190 1.504,1191 1.515,1192 1.505,1193 1.495,1194 1.958,1195 0.481,1196 4.274,1197 1.399,1198 3.981,1199 4.016,1200 3.937,1201 3.873,1202 8.513,1203 3.881,1204 3.903,1205 3.94,1206 3.849,1207 3.817,1208 7.999,1209 3.817,1210 3.834,1211 3.861,1212 3.786,1213 3.736,1214 7.999,1215 3.744,1216 3.472,1217 3.516,1218 3.418,1219 3.205,1220 7.433,1221 3.247,1222 3.325,1223 3.379,1224 3.326,1225 3.034,1226 4.917,1227 3.084,1228 3.042,1229 3.087,1230 2.936,1231 2.774,1232 4.78,1233 2.808,1234 2.854,1235 2.925,1236 2.718,1237 2.735,1238 4.741,1239 2.715,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 4.243,1245 2.715,1246 0.148,1247 0.149,1248 0.237,1249 0.139,1250 0.11,1251 4.44,1252 0.128,1253 4.46,1254 0.128,1255 7.111,1256 0.389,1257 4.169,1258 0.095,1259 3.314,1260 3.846,1261 3.825,1262 11.657,1263 2.86,1264 1.911,1265 1.883,1266 2.019,1267 2.042,1268 1.086,1269 2.031,1270 1.888,1271 1.856,1272 1.998,1273 2,1274 1.071,1275 2.001,1276 1.799,1277 1.771,1278 1.894,1279 1.918,1280 0.962,1281 1.912,1282 1.365,1283 1.307,1284 1.635,1285 1.644,1286 0.682,1287 1.635,1288 1.133,1289 1.088,1290 1.243,1291 1.457,1292 0.308,1293 1.374,1294 0.907,1295 0.873,1296 1.181,1297 1.247,1298 0.218,1299 1.193,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.886,1307 0.821,1308 1.109,1309 1.062,1310 0.168,1311 1.107,1312 4.111,1314 5.434,1316 6.94,1318 8.518,1320 10.13,1322 1.601,1324 37.665,1329 2.882,1330 5.308,1333 1.373,1334 -4.427,1340 29.858,1341 78.267,1342 147.632,1343 177.897,1344 207.95,1345 214.705,1346 214.705,1347 60.081,1348 7.162,1349 54.46,1350 54.46,1351 18,1352 12.304,1353 4.322,1354 3.459,1355 50.191,1356 137,1357 108,1358 0.181,1359 183.133,1360 327.17,1361 438.605,1362 12890,1363 6.8,1364 20.148,1365 0.72,1366 0.528,1367 17.648,1368 14.773,1369 13.326,1370 0.444,1371 0.275,1372 8.057,1373 12.61,1374 7.919,1375 6.576,1376 12.114,1377 8.237,1378 12.676,1379 0.302,1380 0.139,1381 10.719,1382 5.842,1383 9.701,1384 0.194,1385 0.077,1386 8.765,1387 3.84,1388 7.303,1389 0.126,1390 0.04,1391 6.604,1392 2.316,1393 5.743,1394 0.082,1395 0.021,1396 5.479,1397 1.497,1398 0.297,1399 85.081,1400 0.227,1401 27.525,1402 0.466,1403 144,1404 653.427,1405 174.015,1406 547.323,1407 712.51,1408 506,1409 164,1410 501.796,1411 186.951,1412 487.126,1413 724.89,1414 455,1415 4.301}
{0 CHEMBL238257,1 1.809,2 11.84,3 4.417,4 19.508,5 85.198,6 8.437,7 0.462,8 3.846,9 3.945,10 3.486,11 3.289,12 5.094,13 3.324,14 4.389,15 4.548,16 3.938,17 3.599,18 6.124,19 3.64,20 4.534,21 4.701,22 3.883,23 3.696,24 5.851,25 3.723,26 4.667,27 4.868,28 3.785,29 3.614,30 6.106,31 3.629,32 4.483,33 4.707,34 3.552,35 3.501,36 5.751,37 3.488,38 4.19,39 4.345,40 3.491,41 3.498,42 5.548,43 3.442,44 4.3,45 4.521,46 3.344,47 3.498,48 5.404,49 3.384,50 4.273,51 4.53,52 3.331,53 3.257,54 5.463,55 3.206,56 0.218,57 0.773,58 6.69,59 3.961,60 27.302,61 4.272,62 1.084,63 1.464,64 16.2,65 5.976,66 148.632,67 6.958,68 0.692,69 1.23,70 18.243,71 6.992,72 54.413,73 8.006,74 1.251,75 1.246,76 25.478,77 7.462,78 136.028,79 8.443,80 1.03,81 0.966,82 22.461,83 6.256,84 127.199,85 7.635,86 0.667,87 0.803,88 12.126,89 5.5,90 54.8,91 6.756,92 0.521,93 0.882,94 15.633,95 6.732,96 47.4,97 9.008,98 0.537,99 0.882,100 17.665,101 5.956,102 55.188,103 8.005,104 57,105 37,106 0.321,107 0.622,108 0.734,109 0.774,110 0.791,111 0.808,112 3.266,113 0.857,114 -4.64,115 -4.56,116 -4.29,121 40.5,122 2,126 1,129 1,134 1,144 6,145 1,146 2,147 1,149 1,161 1,176 4,179 4,180 9,187 4,192 6,200 2,206 11,214 2,218 1,219 6,227 4,239 8,243 3,244 1,251 6,256 1,268 2,269 5,281 923,282 15.764,283 15.764,284 15.764,285 15.764,286 15.764,287 14.225,288 21.468,289 9.049,290 16.43,291 12.772,292 12.772,293 12.772,294 12.772,295 12.772,296 10.419,297 25.908,298 4.277,299 13.929,300 3.583,301 1.884,302 1.251,303 1.024,304 0.929,305 0.834,306 3.921,311 1,312 1,313 598,314 4.359,318 191.473,325 2.099,326 44.82,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 58.5,338 296,339 4.44,340 4.46,341 7.111,342 4.168,343 3.314,344 3.846,345 3.825,346 11.657,347 2.856,348 4.122,349 3.796,350 6.214,351 3.821,352 2.891,353 3.655,354 2.208,355 8.861,356 2.675,357 3.967,358 3.074,359 5.618,360 3.623,361 2.694,362 3.211,363 0.86,364 7.78,365 2.507,366 3.769,367 2.728,368 5.358,369 3.356,370 2.433,371 3.085,372 0.655,373 6.959,374 2.21,375 3.398,376 2.496,377 5.004,378 3.019,379 2.088,380 2.653,381 0.13,382 5.977,383 1.925,384 2.975,385 2.305,386 4.576,387 2.675,388 1.697,389 2.026,391 4.625,392 1.64,393 2.892,394 1.909,395 4.525,396 2.463,397 1.548,398 1.962,400 4.292,401 1.374,402 2.5,403 1.066,404 3.414,405 2,406 1,407 1.5,409 2.275,410 1,411 2.5,412 1,413 3.414,414 1.959,415 1,416 1.5,418 2.275,419 0.956,420 1.71,421 1,422 3.183,423 1.547,424 0.612,425 0.648,427 1.395,428 0.565,429 1.532,430 0.884,431 2.971,432 1.149,433 0.229,434 0.28,436 0.565,437 0.207,438 1.127,439 0.51,440 2.634,441 0.709,442 -0.228,443 -0.289,445 -0.559,446 -0.21,447 0.698,448 0.51,449 2.282,450 0.26,451 -0.688,452 -0.881,454 -1.735,455 -0.639,456 0.5,457 0.432,458 2,460 -1,461 -1,463 -2,464 -0.7,465 0.5,466 -0.099,467 2,469 -1,470 -1,472 -2.779,473 -0.7,474 11.157,475 0.446,476 0.922,477 0.037,478 30.75,479 1.23,480 14.5,481 0.58,482 16.25,483 0.65,484 19.019,485 0.761,486 29.043,487 0.691,488 25.382,489 1.015,490 6.393,491 0.256,492 5.271,493 0.211,494 0.241,495 0.045,496 0.305,498 3,501 0.65,502 1.126,503 0.637,504 1.281,505 0.611,506 1.054,507 0.478,508 0.715,509 0.601,510 0.9,511 0.359,512 0.834,513 0.896,514 0.97,515 0.871,516 1.153,517 0.595,518 1.041,519 1.25,520 0.848,521 1.148,522 0.942,523 1.134,524 0.992,525 1.056,526 0.609,527 0.972,528 0.568,529 1.073,530 0.683,531 0.34,532 0.675,533 0.928,534 1.142,535 0.437,536 1.28,537 0.261,538 0.769,539 0.797,540 1.248,541 0.315,542 1.303,543 0.615,544 1.006,545 0.638,546 1.132,547 0.536,548 0.98,549 7.5,550 0.182,551 3.333,552 1.625,553 1.164,554 0.764,555 0.526,556 0.417,557 0.263,558 0.18,559 7250,560 28629,561 1.897,562 40.5,564 10,566 1,569 6,572 1.672,573 1.714,574 3.511,575 -0.672,577 1,582 75.994,583 1.809,584 3.508,585 4.142,586 4.368,587 4.463,588 4.559,589 2.958,590 3.943,591 4.614,592 3.744,593 1123.21,594 7.935,595 14474,597 1,599 1,600 226.477,601 1.743,602 4.522,603 0.288,604 0.012,605 0.09,606 0.045,607 0.039,608 0.029,609 0.022,610 0.021,611 0.014,612 0.01,613 0.571,614 0.33,615 1,616 1.549,617 124.06,618 -0.043,619 -0.176,620 0.036,621 -0.172,622 -0.1,623 -0.07,624 0.424,625 0.298,626 0.274,627 0.096,628 0.464,629 0.105,630 -0.121,631 -0.173,632 -0.014,633 -0.178,634 0.009,635 -0.076,636 -0.175,637 0.024,638 -0.131,639 -0.014,640 -0.116,641 -0.05,642 -0.158,643 0.078,644 0.036,645 0.338,646 -0.164,647 0.302,648 0.256,649 0.112,650 -0.157,651 -0.1,652 0.087,653 -0.265,654 0.233,655 -0.093,656 0.062,657 -0.216,658 0.107,659 -0.193,660 0.09,661 -0.281,662 0.368,663 -0.161,664 0.121,665 0.117,666 5.694,667 4.813,668 0.48,669 26.71,670 1.04,671 1.152,672 3.41,673 11.626,674 0.644,675 3.296,676 3.638,677 3.761,678 3.85,679 4.007,680 4.043,681 4.111,682 4.174,683 4.174,684 4.174,685 7.195,686 0.645,687 354.36,688 3.296,689 4.844,690 5.652,691 6.515,692 7.34,693 8.2,694 9.031,695 9.89,696 10.723,697 11.582,698 4.8,705 1,708 1,715 7,716 1,720 4,722 12,737 1,739 1,741 42,743 13,744 1,745 26,747 43,748 17,749 11,750 2,751 4,756 2,757 2,763 3,769 1,770 1,772 12,773 5,777 1,782 1,786 1,790 1,791 3,793 17,794 8,796 8,802 2,808 1,809 3,822 1,829 2,859 2,864 3,866 3,868 25,878 2,880 1,881 1,882 1,892 3,893 7.1,896 1,898 2,901 14.583,902 8.495,903 5.389,904 2.395,907 2.269,908 1.339,909 0.918,910 5.911,911 8.968,912 3.526,913 4.078,914 4.505,915 4.954,916 5.46,917 5.557,918 5.87,919 6.181,920 6.438,921 6.744,922 0.875,923 36,924 9.638,926 4.425,927 0.026,929 8.457,931 16.497,933 12.665,936 2.957,937 73.917,940 1,941 200.109,942 124.961,943 19.91,945 47.145,946 44.88,948 124.961,949 247.253,950 64.79,951 26.047,952 3.124,953 56.857,954 53.702,955 89.6,956 11.577,957 188.338,958 7.76,959 200.109,960 144.871,961 92.025,964 129.482,965 162.652,968 37.582,969 90.503,970 16.786,972 244.989,973 67.055,974 124.961,977 207.868,978 25.25,979 95.076,981 108.811,982 200.109,983 111.935,984 124.961,986 0.599,987 0.324,988 0.138,989 0.069,990 16,991 9,992 0.116,993 5,995 1,996 3.645,997 186.987,999 12,1000 105.342,1005 19.07,1006 7.749,1007 5.364,1009 111.935,1010 8.813,1011 3.62,1015 -0.15,1018 437.004,1019 33,1024 11.813,1028 -0.493,1031 43.676,1032 48.381,1034 0.336,1035 0.651,1036 0.768,1037 0.81,1038 0.828,1039 0.845,1040 4.779,1041 1,1042 5.7,1043 4.292,1044 4.317,1045 4.762,1046 3.45,1047 6.512,1048 4.149,1049 6.003,1050 1,1051 7.287,1052 2.275,1053 4.205,1054 4.635,1055 4.006,1056 7.678,1057 3.845,1058 7.316,1059 0.612,1060 8.983,1061 2.275,1062 5.989,1063 6.858,1064 5.561,1065 10.603,1066 5.614,1067 8.66,1068 0.229,1069 10.744,1070 1.395,1071 6.608,1072 7.398,1073 6.735,1074 12.55,1075 6.019,1076 10.029,1077 -0.228,1078 12.546,1079 0.565,1080 7.975,1081 9.207,1082 8.102,1083 15.112,1084 7.35,1085 11.416,1086 -0.688,1087 14.38,1088 -0.559,1089 8.897,1090 10.055,1091 9.406,1092 17.364,1093 8.065,1094 12.817,1095 -1,1096 16.236,1097 -1.735,1098 10.123,1099 11.673,1100 10.748,1101 19.832,1102 9.222,1103 3.314,1104 -1,1105 18.111,1106 -2,1107 11.18,1108 12.695,1109 12.081,1110 22.205,1111 10.087,1112 2.891,1113 11.657,1114 20,1115 -2.779,1116 12.361,1117 14.204,1118 13.421,1119 24.653,1120 11.166,1121 2.694,1122 8.861,1123 21.902,1124 3.846,1125 13.48,1126 15.334,1127 14.76,1128 27.073,1129 12.107,1130 2.433,1131 7.78,1132 23.814,1133 3.655,1134 14.65,1135 16.778,1136 16.101,1137 29.52,1138 13.153,1139 2.088,1140 6.959,1141 25.734,1142 3.211,1143 15.8,1144 17.978,1145 17.442,1146 31.96,1147 14.133,1148 1.697,1149 5.977,1150 27.661,1151 3.085,1152 16.972,1153 19.38,1154 18.783,1155 34.409,1156 15.166,1157 1.548,1158 4.625,1159 29.593,1160 2.653,1161 18.139,1162 20.627,1163 20.125,1164 36.857,1165 16.167,1166 7432,1167 15065,1168 16.008,1169 27.04,1170 39.689,1171 39.225,1172 40.162,1173 39.249,1174 39.013,1175 48.732,1176 15.356,1177 113.324,1178 35.831,1179 5.312,1180 6.46,1181 6.525,1182 5.266,1183 5.314,1184 6.846,1185 5.529,1186 18.535,1187 4.856,1188 17.479,1189 1.527,1190 1.509,1191 1.545,1192 1.51,1193 1.501,1194 1.874,1195 0.591,1196 4.359,1197 1.378,1198 3.959,1199 3.981,1200 3.921,1201 3.843,1202 8.513,1203 3.855,1204 3.845,1205 3.874,1206 3.805,1207 3.736,1208 7.999,1209 3.746,1210 3.723,1211 3.786,1212 3.616,1213 3.53,1214 7.999,1215 3.536,1216 3.332,1217 3.368,1218 3.34,1219 3.042,1220 7.433,1221 3.087,1222 3.274,1223 3.332,1224 3.163,1225 2.978,1226 5.003,1227 3.022,1228 3.011,1229 3.056,1230 2.844,1231 2.747,1232 4.767,1233 2.764,1234 2.874,1235 3.009,1236 2.687,1237 2.735,1238 4.369,1239 2.715,1240 2.854,1241 2.925,1242 2.661,1243 2.618,1244 4.238,1245 2.57,1246 0.171,1247 0.172,1248 0.273,1249 0.16,1250 0.127,1251 4.44,1252 0.148,1253 4.46,1254 0.147,1255 7.111,1256 0.448,1257 4.168,1258 0.11,1259 3.314,1260 3.846,1261 3.825,1262 11.657,1263 2.856,1264 1.885,1265 1.867,1266 1.981,1267 2.02,1268 1.132,1269 2.003,1270 1.8,1271 1.773,1272 1.934,1273 1.946,1274 1.043,1275 1.934,1276 1.681,1277 1.612,1278 1.891,1279 1.884,1280 0.959,1281 1.894,1282 1.233,1283 1.165,1284 1.586,1285 1.525,1286 0.637,1287 1.542,1288 1.073,1289 1.046,1290 1.417,1291 1.424,1292 0.469,1293 1.317,1294 0.934,1295 0.865,1296 1.181,1297 1.239,1298 0.22,1299 1.308,1300 0.897,1301 0.821,1302 1.163,1303 1.237,1304 0.218,1305 1.181,1306 0.886,1307 0.804,1308 1.06,1309 1.062,1310 0.066,1311 1.107,1312 3.97,1314 5.303,1316 6.808,1318 8.38,1320 9.986,1322 5.339,1324 37.428,1330 10.549,1332 0.001,1333 1.441,1334 -4.444,1340 27.078,1341 75.994,1342 147.342,1343 173.948,1344 183.458,1345 187.458,1346 191.458,1347 66.589,1348 6.698,1349 51.66,1350 51.66,1351 12,1352 12.139,1353 3.807,1354 3,1355 52.197,1356 109,1357 86,1358 0.236,1359 167.734,1360 304.24,1361 401.03,1362 6604,1363 7.1,1364 18.613,1365 0.745,1366 0.555,1367 16.113,1368 13.872,1369 11.664,1370 0.449,1371 0.286,1372 7.231,1373 10.882,1374 7.021,1375 5.874,1376 10.452,1377 7.424,1378 11.522,1379 0.311,1380 0.149,1381 9.564,1382 5.529,1383 8.359,1384 0.199,1385 0.08,1386 7.423,1387 3.378,1388 5.836,1389 0.127,1390 0.037,1391 5.137,1392 1.688,1393 4.31,1394 0.08,1395 0.019,1396 4.045,1397 1.02,1398 0.384,1399 75.519,1400 0.25,1401 24.889,1402 0.613,1403 126,1404 632.83,1405 158.224,1406 516.248,1407 663.5,1408 476,1409 142,1410 463.464,1411 166.606,1412 442.917,1413 661.34,1414 412,1415 4.301}
{0 CHEMBL238293,1 1.832,2 11.84,3 4.152,4 17.235,5 83.572,6 8.808,7 0.444,8 3.827,9 3.917,10 3.512,11 3.298,12 5.053,13 3.341,14 4.393,15 4.533,16 3.963,17 3.647,18 6.121,19 3.684,20 4.566,21 4.755,22 3.841,23 3.675,24 5.818,25 3.687,26 4.535,27 4.728,28 3.758,29 3.459,30 6.017,31 3.526,32 4.213,33 4.365,34 3.535,35 3.396,36 5.608,37 3.425,38 4.161,39 4.314,40 3.485,41 3.475,42 5.511,43 3.425,44 4.247,45 4.467,46 3.332,47 3.451,48 5.333,49 3.348,50 4.165,51 4.408,52 3.317,53 3.173,54 5.389,55 3.15,56 0.242,57 0.771,58 5.645,59 3.82,60 33.433,61 3.863,62 1.075,63 1.508,64 14.005,65 6.099,66 147.935,67 6.591,68 0.803,69 1.209,70 19.539,71 7.441,72 73.707,73 8.688,74 1.259,75 1.145,76 22.585,77 6.359,78 142.221,79 6.47,80 0.785,81 0.897,82 13.398,83 4.838,84 91.599,85 4.635,86 0.684,87 0.788,88 10.963,89 5.272,90 56.163,91 6.208,92 0.549,93 0.85,94 14.6,95 6.387,96 52.9,97 8.472,98 0.539,99 0.841,100 15.442,101 5.44,102 55.56,103 7.05,104 18,105 38,106 0.326,107 0.628,108 0.724,109 0.766,110 0.784,111 0.802,112 3.266,113 0.855,114 -4.64,115 -4.56,116 -4.29,121 42.5,123 2,127 2,134 1,144 6,145 1,146 2,147 1,149 1,161 1,176 5,179 4,180 9,187 3,192 6,200 2,206 11,214 2,218 1,219 6,227 4,239 8,243 3,244 1,251 6,256 1,268 2,269 5,281 917,282 16.419,283 16.419,284 16.419,285 16.419,286 16.419,287 14.88,288 21.468,289 9.623,290 17.074,291 13.335,292 13.335,293 13.335,294 13.335,295 13.335,296 10.984,297 23.408,298 4.596,299 14.494,300 3.49,301 1.798,302 1.257,303 1.019,304 0.919,305 0.819,306 3.943,311 1,312 1,313 628,314 3.674,317 84.105,318 184.782,325 2.099,326 45.143,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 58.5,338 296,339 4.44,340 4.46,341 7.111,342 4.168,343 3.314,344 3.846,345 3.825,346 11.657,347 2.856,348 4.115,349 3.788,350 6.055,351 3.779,352 2.85,353 3.655,354 2.208,355 8.706,356 2.634,357 3.945,358 3.074,359 5.613,360 3.608,361 2.683,362 3.204,363 0.86,364 7.771,365 2.489,366 3.759,367 2.706,368 5.324,369 3.344,370 2.418,371 3.066,372 0.655,373 6.905,374 2.204,375 3.384,376 2.407,377 4.985,378 2.999,379 2.07,380 2.639,381 0.13,382 5.95,383 1.907,384 2.915,385 2.292,386 4.557,387 2.633,388 1.652,389 2.016,391 4.612,392 1.607,393 2.863,394 1.909,395 4.195,396 2.463,397 1.545,398 1.864,400 3.897,401 1.374,402 2.5,403 1.139,404 3.414,405 2,406 1,407 1.5,409 2.275,410 1,411 2.5,412 1,413 3.414,414 1.959,415 1,416 1.5,418 2.275,419 0.956,420 1.899,421 1,422 3.246,423 1.75,424 0.792,425 0.841,427 1.888,428 0.749,429 1.618,430 0.897,431 3.014,432 1.591,433 0.618,434 0.618,436 1.372,437 0.6,438 1.543,439 0.744,440 3,441 1.161,442 0.247,443 0.302,445 0.621,446 0.222,447 1.127,448 0.51,449 2.673,450 0.713,451 -0.219,452 -0.276,454 -0.545,455 -0.201,456 0.7,457 0.51,458 2.465,459 0.261,460 -0.686,461 -0.87,463 -1.734,464 -0.635,465 0.5,466 0.438,467 2,469 -1,470 -1,472 -2.735,473 -0.7,474 11.157,475 0.446,476 0.757,477 0.03,478 31.25,479 1.25,480 14.5,481 0.58,482 16.75,483 0.67,484 17.817,485 0.713,486 28.443,487 0.711,488 24.464,489 0.979,490 6.355,491 0.254,492 5.56,493 0.222,494 0.107,495 0.045,496 0.26,498 3,501 0.643,502 1.062,503 0.595,504 1.2,505 0.578,506 0.983,507 0.468,508 0.733,509 0.695,510 1.005,511 0.345,512 0.984,513 0.812,514 0.904,515 0.836,516 1.129,517 0.544,518 1.042,519 1.409,520 0.8,521 1.12,522 0.738,523 1.279,524 0.767,525 1.2,526 0.797,527 1.172,528 0.766,529 1.233,530 0.889,531 0.339,532 0.638,533 0.929,534 1.099,535 0.432,536 1.266,537 0.265,538 0.728,539 0.775,540 1.186,541 0.307,542 1.263,543 0.669,544 1.031,545 0.639,546 1.131,547 0.569,548 0.969,549 6.5,550 0.129,551 2.889,552 1.278,553 1.254,554 0.573,555 0.392,556 0.373,557 0.207,558 0.165,559 8062,560 30399,561 2.028,562 37.5,564 10,566 1,569 4,572 1.671,573 1.887,574 3.513,575 -0.672,577 1,582 73.277,583 1.832,584 3.524,585 4.065,586 4.303,587 4.403,588 4.503,589 2.958,590 3.863,591 4.614,592 3.745,593 1123.51,594 7.932,595 14444.7,597 1,598 1,599 1,600 212.877,601 1.571,602 4.56,603 0.241,604 0.009,605 0.076,606 0.038,607 0.042,608 0.022,609 0.016,610 0.019,611 0.011,612 0.009,613 0.482,614 0.33,615 1,616 0.795,617 124.028,618 -0.046,619 -0.147,620 0.039,621 -0.138,622 -0.068,623 -0.046,624 0.392,625 0.266,626 0.127,627 -0.018,628 0.439,629 -0.07,630 -0.068,631 -0.191,632 0.084,633 -0.178,634 0.044,635 -0.032,636 -0.236,637 0.091,638 -0.044,639 0.174,640 -0.163,641 0.165,642 -0.258,643 0.052,644 -0.286,645 0.181,646 -0.259,647 0.019,648 0.26,649 0.113,650 -0.152,651 -0.091,652 0.09,653 -0.263,654 0.249,655 -0.082,656 0.129,657 -0.174,658 0.127,659 -0.131,660 0.076,661 -0.29,662 0.408,663 -0.154,664 0.12,665 0.151,666 5.688,667 4.874,668 0.68,669 26.442,670 1.045,671 1.149,672 3.41,673 11.626,674 0.657,675 3.332,676 3.664,677 3.829,678 3.989,679 4.111,680 4.143,681 4.205,682 4.29,683 4.29,684 4.344,685 7.192,686 0.664,687 352.34,688 3.332,689 4.875,690 5.694,691 6.558,692 7.391,693 8.252,694 9.09,695 9.95,696 10.789,697 11.649,698 5,705 1,708 1,715 7,716 1,720 4,722 12,737 1,739 1,741 40,743 13,744 1,745 27,747 42,748 17,749 11,750 2,751 4,756 3,757 3,763 1,767 2,769 1,770 2,772 12,773 5,777 1,782 1,786 1,790 1,791 3,793 15,794 8,796 8,802 2,808 1,809 3,822 1,825 1,828 1,829 2,859 3,866 3,868 25,876 4,878 2,881 1,882 1,892 3,893 7.5,896 1,898 2,901 13.25,902 7.162,903 5.361,904 2.411,907 2.255,908 1.325,909 0.965,910 5.142,911 9.199,912 3.555,913 4.094,914 4.538,915 5.002,916 5.494,917 5.587,918 5.892,919 6.212,920 6.474,921 6.798,922 0.875,923 34,924 9.669,926 4.561,927 0.026,929 8.403,931 16.775,933 13.482,936 2.903,937 72.583,941 176.567,942 108.194,943 19.91,945 47.145,946 44.88,948 108.194,949 223.711,950 64.79,952 12.405,953 56.857,954 53.702,955 89.6,956 11.577,957 164.795,958 7.76,959 176.567,960 128.104,961 92.025,964 129.482,965 139.109,968 29.212,969 82.107,970 16.786,972 221.447,973 67.055,974 108.194,977 184.326,978 34.53,979 69.029,981 108.811,982 176.567,983 111.935,984 108.194,986 0.591,987 0.323,988 0.155,989 0.076,990 18,991 8,992 0.095,993 4,995 1,996 3.807,997 193.16,999 17,1000 103.342,1005 17.56,1006 7.321,1007 4.638,1009 111.935,1010 8.943,1011 3.629,1015 -0.073,1018 396.696,1019 34,1024 11.874,1028 -0.393,1031 41.792,1032 45.966,1034 0.344,1035 0.662,1036 0.764,1037 0.809,1038 0.827,1039 0.846,1040 4.804,1041 1,1042 5.714,1043 3.897,1044 4.344,1045 4.779,1046 3.45,1047 6.515,1048 4.18,1049 6.005,1050 1,1051 7.28,1052 2.275,1053 4.111,1054 4.575,1055 4.006,1056 7.644,1057 3.722,1058 7.31,1059 0.792,1060 8.959,1061 2.275,1062 5.994,1063 6.86,1064 5.561,1065 10.585,1066 5.624,1067 8.648,1068 0.618,1069 10.707,1070 1.888,1071 6.553,1072 7.374,1073 6.735,1074 12.534,1075 5.939,1076 10.014,1077 0.247,1078 12.503,1079 1.372,1080 7.961,1081 9.203,1082 8.102,1083 15.092,1084 7.336,1085 11.399,1086 -0.219,1087 14.332,1088 0.621,1089 8.856,1090 10.041,1091 9.406,1092 17.351,1093 8.001,1094 12.799,1095 -0.686,1096 16.186,1097 -0.545,1098 10.099,1099 11.667,1100 10.748,1101 19.816,1102 9.188,1103 3.314,1104 -1,1105 18.061,1106 -1.734,1107 11.145,1108 12.686,1109 12.081,1110 22.194,1111 10.026,1112 2.85,1113 11.657,1114 19.951,1115 -2.735,1116 12.333,1117 14.199,1118 13.421,1119 24.642,1120 11.12,1121 2.683,1122 8.706,1123 21.854,1124 3.846,1125 13.449,1126 15.328,1127 14.76,1128 27.065,1129 12.046,1130 2.418,1131 7.771,1132 23.767,1133 3.655,1134 14.623,1135 16.773,1136 16.101,1137 29.513,1138 13.098,1139 2.07,1140 6.905,1141 25.69,1142 3.204,1143 15.772,1144 17.973,1145 17.442,1146 31.954,1147 14.07,1148 1.652,1149 5.95,1150 27.619,1151 3.066,1152 16.946,1153 19.376,1154 18.783,1155 34.405,1156 15.106,1157 1.545,1158 4.612,1159 29.554,1160 2.639,1161 18.114,1162 20.622,1163 20.125,1164 36.854,1165 16.104,1166 7820,1167 15453,1168 17.682,1169 26.279,1170 40.736,1171 40.165,1172 40.299,1173 40.688,1174 40.378,1175 50.105,1176 15.356,1177 115.859,1178 37.194,1179 5.388,1180 6.46,1181 6.708,1182 5.279,1183 5.314,1184 6.846,1185 5.529,1186 18.535,1187 4.856,1188 13.142,1189 1.509,1190 1.488,1191 1.493,1192 1.507,1193 1.495,1194 1.856,1195 0.569,1196 4.291,1197 1.378,1198 3.964,1199 3.988,1200 3.923,1201 3.844,1202 8.513,1203 3.857,1204 3.861,1205 3.907,1206 3.812,1207 3.737,1208 7.999,1209 3.747,1210 3.805,1211 3.847,1212 3.704,1213 3.658,1214 7.999,1215 3.658,1216 3.327,1217 3.355,1218 3.344,1219 3.012,1220 7.433,1221 3.078,1222 3.229,1223 3.235,1224 3.18,1225 2.91,1226 5.003,1227 2.976,1228 2.869,1229 2.979,1230 2.789,1231 2.735,1232 4.767,1233 2.715,1234 2.854,1235 2.925,1236 2.687,1237 2.671,1238 4.36,1239 2.65,1240 2.843,1241 2.87,1242 2.625,1243 2.624,1244 4.218,1245 2.635,1246 0.164,1247 0.165,1248 0.263,1249 0.154,1250 0.123,1251 4.44,1252 0.142,1253 4.46,1254 0.142,1255 7.111,1256 0.432,1257 4.168,1258 0.106,1259 3.314,1260 3.846,1261 3.825,1262 11.657,1263 2.856,1264 1.884,1265 1.866,1266 1.978,1267 2.018,1268 1.211,1269 2,1270 1.8,1271 1.772,1272 1.892,1273 1.929,1274 1.046,1275 1.916,1276 1.577,1277 1.507,1278 1.86,1279 1.752,1280 0.971,1281 1.793,1282 1.477,1283 1.417,1284 1.689,1285 1.751,1286 0.957,1287 1.731,1288 1.075,1289 1.056,1290 1.181,1291 1.427,1292 0.22,1293 1.316,1294 0.89,1295 0.877,1296 1.162,1297 1.219,1298 0.218,1299 1.154,1300 0.886,1301 0.821,1302 1.045,1303 1.062,1304 0.094,1305 1.107,1306 0.719,1307 0.647,1308 0.919,1309 0.986,1310 0.065,1311 1,1312 4.007,1314 5.333,1315 2.398,1316 6.83,1317 4.443,1318 8.398,1319 6.293,1320 10.002,1324 37.444,1328 3.337,1330 10.624,1333 1.635,1334 -4.438,1340 26.552,1341 73.277,1342 140.961,1343 162.612,1344 172.122,1345 176.122,1346 180.122,1347 53.44,1348 6.944,1349 51.66,1350 51.66,1351 17,1352 12.204,1353 3.807,1354 3,1355 42.223,1356 109,1357 84,1358 0.189,1359 160.34,1360 291.88,1361 382.99,1362 9480,1363 7.5,1364 17.864,1365 0.715,1366 0.525,1367 15.364,1368 13.123,1369 11.915,1370 0.441,1371 0.285,1372 7.506,1373 11.144,1374 7.46,1375 6.115,1376 10.704,1377 7.696,1378 11.464,1379 0.302,1380 0.145,1381 9.506,1382 5.518,1383 8.614,1384 0.191,1385 0.082,1386 7.678,1387 3.679,1388 6.683,1389 0.126,1390 0.045,1391 5.984,1392 2.37,1393 4.826,1394 0.08,1395 0.021,1396 4.562,1397 1.245,1398 0.307,1399 76.978,1400 0.238,1401 24.967,1402 0.488,1403 130,1404 636.83,1405 162.224,1406 518.772,1407 670.28,1408 480,1409 148,1410 469.464,1411 172.939,1412 446.338,1413 671.6,1414 418,1415 4.301}
{0 CHEMBL238571,1 1.8,2 14.6,3 5.251,4 27.57,5 102.272,6 8.902,7 0.563,8 3.979,9 4.062,10 3.672,11 3.457,12 5.264,13 3.503,14 4.491,15 4.618,16 4.098,17 3.769,18 6.216,19 3.822,20 4.611,21 4.741,22 4.071,23 3.859,24 5.971,25 3.9,26 4.718,27 4.882,28 3.97,29 3.801,30 6.176,31 3.827,32 4.614,33 4.813,34 3.812,35 3.755,36 5.892,37 3.733,38 4.501,39 4.688,40 3.734,41 3.687,42 5.805,43 3.65,44 4.406,45 4.589,46 3.659,47 3.647,48 5.65,49 3.595,50 4.386,51 4.58,52 3.652,53 3.554,54 5.676,55 3.533,56 0.267,57 0.839,58 6.303,59 4.394,60 28.334,61 4.299,62 1.176,63 1.609,64 15.439,65 6.712,66 147.374,67 6.76,68 0.754,69 1.377,70 16.451,71 7.837,72 53.864,73 7.813,74 1.258,75 1.496,76 22.474,77 8.22,78 120.824,79 7.865,80 0.955,81 1.214,82 21.687,83 8.036,84 101.601,85 9.42,86 0.975,87 0.985,88 18.691,89 7.192,90 90.872,91 8.681,92 0.788,93 1.001,94 16.152,95 6.946,96 58.231,97 8.484,98 0.551,99 1.088,100 15.768,101 7.082,102 47.481,103 8.414,104 41,105 45,106 0.306,107 0.589,108 0.702,109 0.786,110 0.82,111 0.835,112 3.439,113 0.813,114 -4.53,115 -4.46,116 -4.2,121 44.7,126 2,134 1,144 10,145 1,146 4,147 1,149 1,161 1,176 6,179 4,180 11,187 5,192 10,200 4,206 11,214 2,218 2,219 10,227 4,239 8,243 5,244 1,251 10,256 1,264 4,268 2,269 7,281 1552,282 19.651,283 19.651,284 19.651,285 19.651,286 19.651,287 17.413,288 25.781,289 11.35,290 20.478,291 15.686,292 15.686,293 15.686,294 15.686,295 15.686,296 12.253,297 30.559,298 5.309,299 17.021,300 3.755,301 2.091,302 1.425,303 0.931,304 0.729,305 0.644,306 4.117,311 1,312 1,313 918,314 4.243,318 355.438,325 2.427,326 49.818,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 69.5,338 438,339 4.44,340 4.46,341 7.111,342 4.168,343 3.314,344 3.846,345 3.825,346 11.657,347 2.856,348 4.223,349 3.801,350 6.342,351 3.901,352 2.962,353 3.729,354 2.208,355 9.442,356 2.776,357 4.068,358 3.075,359 5.625,360 3.646,361 2.712,362 3.64,363 0.86,364 7.807,365 2.535,366 3.852,367 2.897,368 5.433,369 3.443,370 2.516,371 3.196,372 0.86,373 7.191,374 2.32,375 3.74,376 2.711,377 5.297,378 3.32,379 2.387,380 3.085,381 0.655,382 6.764,383 2.194,384 3.439,385 2.533,386 5.037,387 3.025,388 2.095,389 2.725,390 0.13,391 6.045,392 1.931,393 3.206,394 2.31,395 4.822,396 2.758,397 1.791,398 2.406,400 5.154,401 1.711,402 2.899,403 1.909,404 4.554,405 2.465,406 1.556,407 2.011,409 4.593,410 1.375,411 2.5,412 1.437,413 3.547,414 2,415 1,416 1.5,418 2.275,419 1,420 2.5,421 1,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1,431 3.414,432 1.959,433 1,434 1.5,436 2.275,437 0.956,438 2.084,439 1,440 3.414,441 1.773,442 0.847,443 0.977,445 1.994,446 0.771,447 1.586,448 0.975,449 3.033,450 1.303,451 0.432,452 0.482,454 0.726,455 0.373,456 1.532,457 0.887,458 2.767,459 1.15,460 0.233,461 0.285,463 0.538,464 0.21,465 1.127,466 0.51,467 2.63,468 0.711,469 -0.224,470 -0.284,472 -0.551,473 -0.206,474 13.49,475 0.45,476 0.915,477 0.03,478 41.25,479 1.375,480 21.5,481 0.717,482 19.75,483 0.658,484 20.558,485 0.685,486 33.31,487 0.709,488 34.882,489 1.163,490 8.777,491 0.293,492 5.48,493 0.183,494 0.162,495 0.037,496 0.289,498 3,501 0.681,502 1.054,503 0.602,504 1.176,505 0.612,506 0.959,507 0.615,508 0.691,509 0.668,510 0.848,511 0.41,512 0.806,513 0.951,514 1.016,515 0.889,516 1.17,517 0.631,518 1.058,519 1.287,520 0.904,521 1.277,522 1.006,523 1.182,524 1.097,525 0.785,526 0.751,527 0.934,528 0.921,529 0.881,530 0.976,531 0.52,532 0.572,533 0.862,534 0.908,535 0.562,536 1.017,537 0.406,538 0.648,539 0.826,540 0.955,541 0.375,542 1.073,543 0.672,544 1.074,545 0.782,546 1.294,547 0.61,548 1.176,549 8,550 0.182,551 3.778,552 1.875,553 1.587,554 1.007,555 0.667,556 0.413,557 0.304,558 0.242,559 13262,560 51982,561 1.985,562 36.2,564 16,566 1,572 1.72,573 1.827,574 3.789,575 -0.693,582 84.585,583 1.8,584 3.463,585 4.129,586 4.623,587 4.826,588 4.911,589 3.273,590 4.19,591 4.876,592 4.004,593 1741.94,594 8.461,595 26109.5,600 261.066,601 1.636,602 4.812,603 0.25,604 0.008,605 0.084,606 0.042,607 0.042,608 0.03,609 0.022,610 0.014,611 0.011,612 0.01,613 0.512,614 0.17,615 1,616 0.888,617 159.162,618 -0.053,619 -0.156,620 0.04,621 -0.156,622 -0.106,623 -0.057,624 0.33,625 0.32,626 0.176,627 0.124,628 0.421,629 0.084,630 -0.145,631 -0.203,632 -0.063,633 -0.203,634 -0.007,635 -0.128,636 -0.225,637 0.047,638 -0.308,639 -0.059,640 -0.155,641 -0.178,642 -0.022,643 -0.009,644 0.037,645 0.035,646 -0.077,647 0.06,648 0.173,649 0.082,650 0.07,651 0.049,652 0.066,653 0.021,654 0.233,655 0.031,656 0.076,657 0.027,658 0.115,659 -0.018,660 0.039,661 -0.278,662 0.166,663 -0.286,664 0.076,665 -0.098,666 5.712,667 5.296,668 0.6,669 35.849,670 1.043,671 1.14,672 3.303,673 10.912,674 0.67,675 3.497,676 3.829,677 4.007,678 4.143,679 4.344,680 4.369,681 4.443,682 4.443,683 4.443,684 4.533,685 8.433,686 0.676,687 418.4,688 3.497,689 5.043,690 5.866,691 6.73,692 7.567,693 8.429,694 9.27,695 10.131,696 10.975,697 11.836,698 4.3,705 1,708 1,715 11,716 1,720 6,722 18,737 1,739 2,741 47,743 19,744 2,745 32,747 49,748 21,749 17,750 4,751 8,756 3,757 3,763 1,769 1,772 18,773 3,777 1,782 1,786 1,791 3,793 17,794 9,796 9,802 2,808 1,809 4,822 1,829 3,859 3,864 2,866 3,868 30,878 3,881 1,882 1,892 3,893 8.5,896 1,898 3,901 16.417,902 9.162,903 6.556,904 2.475,907 3.098,908 1.422,909 0.954,910 6.604,911 10.436,912 3.761,913 4.337,914 4.826,915 5.309,916 5.836,917 5.907,918 6.192,919 6.419,920 6.654,921 7.033,922 0.9,923 45,924 11.471,926 5.24,927 0.026,929 8.347,931 19.836,933 15.358,936 2.847,937 85.417,941 200.109,942 164.099,943 19.91,945 58.145,946 44.88,948 164.099,949 258.253,950 64.79,951 19.279,952 3.124,953 94.762,954 53.702,955 108.6,956 11.577,957 188.338,958 7.76,959 200.109,960 184.008,961 103.025,964 200.109,965 103.025,968 19.931,969 147.292,970 16.786,972 244.989,973 78.054,974 164.099,977 207.868,978 33.25,979 126.214,981 119.81,982 200.109,983 122.935,984 164.099,986 0.591,987 0.331,988 0.154,989 0.082,990 20,991 10,992 0.122,993 6,995 1,996 4.194,997 246.573,999 18,1000 134.452,1005 21.627,1006 9.161,1007 5.73,1009 122.935,1010 15.598,1011 3.637,1015 1.025,1018 487.142,1019 42,1024 12.296,1028 -0.599,1031 49.003,1032 53.59,1034 0.324,1035 0.623,1036 0.743,1037 0.832,1038 0.869,1039 0.884,1040 5.001,1041 1.556,1042 5.889,1043 5.154,1044 4.511,1045 5.024,1046 3.496,1047 6.693,1048 4.354,1049 6.22,1050 1,1051 7.462,1052 4.593,1053 4.29,1054 4.82,1055 4.006,1056 7.801,1057 3.943,1058 7.531,1059 1,1060 9.143,1061 2.275,1062 6.163,1063 7.156,1064 5.565,1065 10.748,1066 5.824,1067 8.873,1068 1,1069 10.889,1070 2.275,1071 6.711,1072 7.65,1073 6.735,1074 12.657,1075 6.155,1076 10.242,1077 0.847,1078 12.678,1079 2.275,1080 8.118,1081 9.521,1082 8.102,1083 15.22,1084 7.554,1085 11.628,1086 0.432,1087 14.498,1088 1.994,1089 8.997,1090 10.341,1091 9.406,1092 17.448,1093 8.223,1094 13.027,1095 0.233,1096 16.343,1097 0.726,1098 10.239,1099 11.996,1100 10.748,1101 19.912,1102 9.419,1103 3.314,1104 -0.224,1105 18.207,1106 0.538,1107 11.271,1108 13,1109 12.081,1110 22.27,1111 10.259,1112 2.962,1113 11.657,1114 20.088,1115 -0.551,1116 12.455,1117 14.532,1118 13.421,1119 24.712,1120 11.362,1121 2.712,1122 9.442,1123 21.981,1124 3.846,1125 13.56,1126 15.65,1127 14.76,1128 27.122,1129 12.29,1130 2.516,1131 7.807,1132 23.885,1133 3.729,1134 14.729,1135 17.106,1136 16.101,1137 29.563,1138 13.351,1139 2.387,1140 7.191,1141 25.799,1142 3.64,1143 15.87,1144 18.298,1145 17.442,1146 31.996,1147 14.326,1148 2.095,1149 6.764,1150 27.72,1151 3.196,1152 17.039,1153 19.707,1154 18.783,1155 34.44,1156 15.368,1157 1.791,1158 6.045,1159 29.647,1160 3.085,1161 18.199,1162 20.947,1163 20.125,1164 36.883,1165 16.369,1166 12984,1167 26005,1168 20.572,1169 31.495,1170 48.388,1171 48.061,1172 48.96,1173 47.922,1174 47.69,1175 61.764,1176 17.076,1177 137.474,1178 44.019,1179 5.313,1180 6.46,1181 6.662,1182 5.272,1183 5.314,1184 6.846,1185 5.529,1186 18.536,1187 4.856,1188 18.357,1189 1.512,1190 1.502,1191 1.53,1192 1.498,1193 1.49,1194 1.93,1195 0.534,1196 4.296,1197 1.376,1198 3.975,1199 3.997,1200 3.933,1201 3.862,1202 8.513,1203 3.873,1204 3.908,1205 3.935,1206 3.863,1207 3.811,1208 7.999,1209 3.817,1210 3.835,1211 3.86,1212 3.79,1213 3.735,1214 7.999,1215 3.744,1216 3.491,1217 3.529,1218 3.436,1219 3.213,1220 7.433,1221 3.258,1222 3.311,1223 3.348,1224 3.327,1225 2.996,1226 5.005,1227 3.058,1228 3.206,1229 3.275,1230 3.043,1231 2.918,1232 4.867,1233 2.929,1234 3.021,1235 3.057,1236 2.871,1237 2.753,1238 4.765,1239 2.778,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 4.414,1245 2.715,1246 0.139,1247 0.139,1248 0.222,1249 0.13,1250 0.104,1251 4.44,1252 0.12,1253 4.46,1254 0.12,1255 7.111,1256 0.364,1257 4.168,1258 0.089,1259 3.314,1260 3.846,1261 3.825,1262 11.657,1263 2.856,1264 1.896,1265 1.876,1266 1.998,1267 2.028,1268 1.084,1269 2.014,1270 1.875,1271 1.853,1272 1.974,1273 1.998,1274 1.043,1275 1.988,1276 1.798,1277 1.771,1278 1.892,1279 1.919,1280 0.959,1281 1.912,1282 1.373,1283 1.32,1284 1.641,1285 1.667,1286 0.683,1287 1.651,1288 1.162,1289 1.085,1290 1.551,1291 1.471,1292 0.566,1293 1.497,1294 1.073,1295 1.047,1296 1.181,1297 1.425,1298 0.22,1299 1.317,1300 0.897,1301 0.867,1302 1.181,1303 1.237,1304 0.218,1305 1.185,1306 0.886,1307 0.821,1308 1.164,1309 1.062,1310 0.218,1311 1.107,1312 4.174,1314 5.501,1316 7.011,1318 8.592,1320 10.207,1322 3.117,1324 37.689,1330 15.787,1333 1.329,1334 -4.462,1340 31.793,1341 84.585,1342 162.773,1343 194.072,1344 217.291,1345 226.801,1346 230.801,1347 68.756,1348 7.338,1349 60.89,1350 60.89,1351 18,1352 12.389,1353 4.322,1354 3.459,1355 55.882,1356 154,1357 148,1358 0.176,1359 193.924,1360 351.05,1361 464.934,1362 16308,1363 6.4,1364 21.725,1365 0.724,1366 0.534,1367 19.225,1368 16.012,1369 14.257,1370 0.446,1371 0.271,1372 8.435,1373 13.327,1374 8.264,1375 6.863,1376 13.046,1377 8.668,1378 13.467,1379 0.299,1380 0.135,1381 11.51,1382 6.081,1383 10.52,1384 0.195,1385 0.075,1386 9.583,1387 4.049,1388 7.766,1389 0.125,1390 0.038,1391 7.066,1392 2.385,1393 6.07,1394 0.08,1395 0.02,1396 5.806,1397 1.51,1398 0.289,1399 92.196,1400 0.22,1401 29.233,1402 0.449,1403 154,1404 738.566,1405 189.102,1406 614.654,1407 800.22,1408 570,1409 176,1410 563.361,1411 203.597,1412 544.512,1413 808.87,1414 507,1415 4.301}
{0 CHEMBL238572,1 1.764,2 12.556,3 4.985,4 24.852,5 92.591,6 8.27,7 0.414,8 3.945,9 4.045,10 3.579,11 3.421,12 5.125,13 3.444,14 4.524,15 4.678,16 4.031,17 3.781,18 6.163,19 3.793,20 4.751,21 4.953,22 3.981,23 3.887,24 5.917,25 3.875,26 4.802,27 5.015,28 3.896,29 3.769,30 6.149,31 3.764,32 4.609,33 4.823,34 3.67,35 3.629,36 5.86,37 3.614,38 4.361,39 4.538,40 3.589,41 3.617,42 5.652,43 3.56,44 4.378,45 4.584,46 3.486,47 3.645,48 5.455,49 3.538,50 4.421,51 4.669,52 3.457,53 3.478,54 5.549,55 3.403,56 0.192,57 0.845,58 7.71,59 4.501,60 27.427,61 4.941,62 1.072,63 1.638,64 18.088,65 7.244,66 149.42,67 8.553,68 0.75,69 1.439,70 24.894,71 8.933,72 65.143,73 11.164,74 1.225,75 1.424,76 29.403,77 8.816,78 136.111,79 10.474,80 1.05,81 1.077,82 24.837,83 7.238,84 125.37,85 8.687,86 0.797,87 0.9,88 16.339,89 6.401,90 72.178,91 7.994,92 0.468,93 1.002,94 16.193,95 7.472,96 39.631,97 9.771,98 0.494,99 1.038,100 19.589,101 7.226,102 45.778,103 9.597,104 27,105 41,106 0.305,107 0.611,108 0.758,109 0.829,110 0.844,111 0.859,112 3.339,113 0.892,114 -5.09,115 -4.99,116 -4.68,121 41.3,122 1,123 3,127 1,129 1,134 1,144 6,145 1,146 2,147 1,149 1,161 1,176 6,179 4,180 10,187 5,192 7,200 3,206 13,214 3,218 1,219 8,227 4,239 10,243 3,244 1,251 10,256 1,264 2,268 2,269 6,281 1082,282 17.626,283 17.626,284 17.626,285 17.626,286 17.626,287 16.087,288 23.049,289 10.28,290 18.283,291 14.302,292 14.302,293 14.302,294 14.302,295 14.302,296 11.956,297 27.676,298 4.887,299 15.468,300 3.759,301 1.993,302 1.142,303 0.728,304 0.642,305 0.555,306 4.017,311 1,312 1,313 715,314 3.742,318 305.816,325 2.198,326 46.503,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 62.5,338 339,339 4.44,340 4.46,341 7.111,342 4.168,343 3.314,344 3.846,345 3.825,346 11.657,347 2.856,348 4.142,349 3.813,350 6.395,351 3.905,352 2.972,353 3.656,354 2.208,355 9.673,356 2.765,357 4.005,358 3.075,359 5.622,360 3.638,361 2.707,362 3.231,363 0.86,364 7.8,365 2.525,366 3.783,367 2.789,368 5.383,369 3.372,370 2.453,371 3.115,372 0.655,373 7.067,374 2.222,375 3.425,376 2.579,377 5.025,378 3.063,379 2.122,380 2.675,381 0.13,382 6.029,383 1.979,384 3.107,385 2.311,386 4.748,387 2.801,388 1.826,389 2.155,391 4.947,392 1.76,393 2.898,394 1.909,395 4.553,396 2.466,397 1.557,398 2.008,400 4.588,401 1.397,402 2.5,403 1.485,404 3.784,405 2.403,406 1.414,407 1.5,409 3.059,410 1.376,411 2.5,412 1.411,413 3.566,414 2,415 1.033,416 1.5,418 2.564,419 1,420 2.414,421 1,422 3.414,423 2,424 1,425 1.414,427 2.275,428 0.987,429 2.158,430 1,431 3.414,432 1.959,433 1,434 1.107,436 2.275,437 0.956,438 1.548,439 0.908,440 3.046,441 1.179,442 0.271,443 0.326,445 0.681,446 0.242,447 1.128,448 0.51,449 2.745,450 0.791,451 -0.143,452 -0.158,454 -0.349,455 -0.131,456 0.838,457 0.51,458 2.559,459 0.674,460 -0.313,461 -0.368,463 -0.697,464 -0.305,465 0.689,466 0.452,467 2,468 0.261,469 -0.687,470 -0.82,472 -1.733,473 -0.639,474 12.157,475 0.45,476 0.846,477 0.031,478 32.25,479 1.194,480 14.5,481 0.537,482 17.75,483 0.657,484 22.111,485 0.819,486 31.043,487 0.675,488 25.731,489 0.953,490 6.342,491 0.235,492 6.484,493 0.24,494 0.139,495 0.041,496 0.28,498 3,501 0.629,502 1.091,503 0.642,504 1.228,505 0.574,506 1.026,507 0.445,508 0.784,509 0.693,510 1.044,511 0.332,512 1,513 0.773,514 0.878,515 0.819,516 1.057,517 0.506,518 0.983,519 1.158,520 0.828,521 1.072,522 0.948,523 1.036,524 0.971,525 1.129,526 0.642,527 1.029,528 0.667,529 1.134,530 0.77,531 0.485,532 0.576,533 0.919,534 0.925,535 0.55,536 1.07,537 0.263,538 0.789,539 0.824,540 1.252,541 0.311,542 1.303,543 0.572,544 1,545 0.715,546 1.189,547 0.502,548 1.08,549 7,550 0.169,551 3.333,552 1.875,553 1.307,554 0.806,555 0.445,556 0.394,557 0.275,558 0.17,559 9779,560 34080,561 2.005,562 41.3,563 2,564 9,566 1,569 7,572 1.692,573 1.851,574 3.575,575 -0.696,582 81.153,583 1.764,584 3.53,585 4.382,586 4.795,587 4.882,588 4.969,589 3.115,590 4.208,591 4.727,592 3.82,593 1340.7,594 8.159,595 18291.5,597 1,600 254.084,601 1.623,602 4.663,603 0.241,604 0.01,605 0.081,606 0.047,607 0.038,608 0.028,609 0.016,610 0.016,611 0.012,612 0.008,613 0.5,614 0.33,615 1,616 0.803,617 137.509,618 -0.035,619 -0.139,620 0.041,621 -0.123,622 -0.065,623 -0.038,624 0.41,625 0.224,626 0.159,627 -0.031,628 0.448,629 -0.049,630 -0.058,631 -0.138,632 0.08,633 -0.101,634 0.051,635 0.014,636 -0.121,637 0.026,638 -0.054,639 -0.021,640 -0.059,641 -0.016,642 -0.177,643 0.053,644 -0.027,645 0.242,646 -0.178,647 0.195,648 0.188,649 0.152,650 -0.075,651 0.075,652 0.051,653 -0.064,654 0.211,655 -0.075,657 -0.204,658 0.092,659 -0.211,660 0.085,661 -0.257,662 0.245,663 -0.198,664 0.103,665 0.006,666 5.692,667 5.237,668 0.667,669 28.749,670 1.034,671 1.148,672 3.865,673 14.936,674 0.648,675 3.401,676 3.738,677 3.912,678 4.078,679 4.248,680 4.234,681 4.304,682 4.369,683 4.407,684 4.466,685 7.565,686 0.644,687 380.4,688 3.401,689 4.949,690 5.771,691 6.64,692 7.476,693 8.342,694 9.182,695 10.047,696 10.89,697 11.754,698 4.3,705 1,708 1,715 7,716 1,720 4,722 12,737 1,739 1,741 46,743 13,744 1,745 29,747 48,748 19,749 11,750 2,751 4,756 3,757 3,763 2,767 4,769 1,770 4,772 12,773 7,777 1,782 1,786 1,791 3,793 19,794 8,796 8,802 2,808 1,809 3,822 1,829 3,859 3,864 1,866 3,868 27,876 4,878 2,880 1,881 1,882 1,892 3,893 6.5,896 1,898 2,901 14.583,902 8.495,903 5.806,904 2.878,907 2.236,908 1.313,909 0.949,910 5.908,911 9.387,912 3.611,913 4.143,914 4.58,915 5.042,916 5.53,917 5.613,918 5.924,919 6.235,920 6.51,921 6.835,922 1,923 40,924 10.435,926 4.875,927 0.026,929 8.312,931 18.348,933 14.837,936 2.812,937 75.917,940 1,941 223.651,942 117.448,943 19.91,945 47.145,946 44.88,948 117.448,949 270.796,950 64.79,951 8.825,952 12.834,953 56.857,954 53.702,955 89.6,956 11.577,957 211.88,958 7.76,959 223.651,960 137.358,961 92.025,964 141.253,965 174.423,968 38.466,969 82.107,970 16.786,972 268.531,973 67.055,974 117.448,977 231.41,978 34.959,979 77.854,981 108.811,982 223.651,983 111.935,984 117.448,986 0.593,987 0.328,988 0.16,989 0.082,990 19,991 9,992 0.083,993 4,995 1,996 3.929,997 215.787,999 18,1000 119.627,1005 19.5,1006 8.18,1007 5.136,1009 111.935,1010 8.999,1011 3.646,1015 -0.071,1018 453.034,1019 36,1024 12.237,1028 -0.389,1031 47.56,1032 52.796,1034 0.319,1035 0.639,1036 0.793,1037 0.868,1038 0.884,1039 0.9,1040 4.868,1041 1.414,1042 5.796,1043 4.588,1044 4.419,1045 4.828,1046 3.45,1047 6.608,1048 4.265,1049 6.067,1050 1.033,1051 7.371,1052 3.059,1053 4.205,1054 4.635,1055 4.006,1056 7.743,1057 3.845,1058 7.373,1059 1,1060 9.057,1061 2.564,1062 6.075,1063 6.895,1064 5.561,1065 10.703,1066 5.726,1067 8.708,1068 1,1069 10.812,1070 2.275,1071 6.635,1072 7.411,1073 6.735,1074 12.644,1075 6.056,1076 10.073,1077 0.271,1078 12.612,1079 2.275,1080 8.049,1081 9.23,1082 8.102,1083 15.215,1084 7.46,1085 11.457,1086 -0.143,1087 14.445,1088 0.681,1089 8.944,1090 10.071,1091 9.406,1092 17.462,1093 8.138,1094 12.856,1095 -0.313,1096 16.301,1097 -0.349,1098 10.192,1099 11.69,1100 10.748,1101 19.929,1102 9.336,1103 3.314,1104 -0.687,1105 18.176,1106 -0.697,1107 11.237,1108 12.71,1109 12.081,1110 22.293,1111 10.188,1112 2.972,1113 11.657,1114 20.066,1115 -1.733,1116 12.428,1117 14.218,1118 13.421,1119 24.735,1120 11.292,1121 2.707,1122 9.673,1123 21.968,1124 3.846,1125 13.541,1126 15.348,1127 14.76,1128 27.146,1129 12.23,1130 2.453,1131 7.8,1132 23.879,1133 3.656,1134 14.715,1135 16.789,1136 16.101,1137 29.585,1138 13.292,1139 2.122,1140 7.067,1141 25.798,1142 3.231,1143 15.861,1144 17.989,1145 17.442,1146 32.017,1147 14.274,1148 1.826,1149 6.029,1150 27.723,1151 3.115,1152 17.033,1153 19.39,1154 18.783,1155 34.459,1156 15.317,1157 1.557,1158 4.947,1159 29.654,1160 2.675,1161 18.196,1162 20.636,1163 20.125,1164 36.9,1165 16.323,1166 9535,1167 18176,1168 18.781,1169 29.801,1170 44.049,1171 43.751,1172 44.262,1173 43.565,1174 43.337,1175 53.065,1176 15.356,1177 125.231,1178 40.132,1179 5.44,1180 6.46,1181 6.796,1182 5.27,1183 5.314,1184 6.846,1185 5.529,1186 18.535,1187 4.856,1188 15.484,1189 1.519,1190 1.509,1191 1.526,1192 1.502,1193 1.494,1194 1.83,1195 0.53,1196 4.318,1197 1.384,1198 3.968,1199 3.995,1200 3.925,1201 3.847,1202 8.513,1203 3.859,1204 3.874,1205 3.923,1206 3.815,1207 3.738,1208 7.999,1209 3.748,1210 3.821,1211 3.854,1212 3.731,1213 3.708,1214 7.999,1215 3.704,1216 3.349,1217 3.388,1218 3.349,1219 3.132,1220 7.433,1221 3.119,1222 3.295,1223 3.359,1224 3.236,1225 3.036,1226 5.004,1227 3.084,1228 3.264,1229 3.305,1230 3.055,1231 2.966,1232 4.767,1233 3.021,1234 2.953,1235 3.021,1236 2.827,1237 2.735,1238 4.373,1239 2.735,1240 2.854,1241 2.925,1242 2.687,1243 2.728,1244 4.256,1245 2.715,1246 0.153,1247 0.154,1248 0.245,1249 0.144,1250 0.114,1251 4.44,1252 0.133,1253 4.46,1254 0.132,1255 7.111,1256 0.402,1257 4.168,1258 0.098,1259 3.314,1260 3.846,1261 3.825,1262 11.657,1263 2.856,1264 1.888,1265 1.869,1266 2.06,1267 2.042,1268 1.414,1269 2.045,1270 1.84,1271 1.788,1272 1.976,1273 2.004,1274 1.044,1275 1.994,1276 1.796,1277 1.763,1278 1.892,1279 1.916,1280 0.959,1281 1.911,1282 1.33,1283 1.247,1284 1.673,1285 1.545,1286 0.917,1287 1.593,1288 1.167,1289 1.141,1290 1.432,1291 1.481,1292 0.681,1293 1.437,1294 1.065,1295 1.034,1296 1.185,1297 1.41,1298 0.306,1299 1.312,1300 0.905,1301 0.846,1302 1.181,1303 1.204,1304 0.22,1305 1.209,1306 0.886,1307 0.821,1308 1.148,1309 1.062,1310 0.218,1311 1.107,1312 4.078,1314 5.407,1316 6.921,1318 8.509,1320 10.132,1322 1.994,1324 37.584,1328 3.712,1330 10.783,1332 0.152,1333 1.708,1334 -4.442,1340 29.605,1341 81.153,1342 162.393,1343 201.555,1344 220.574,1345 224.574,1346 228.574,1347 62.911,1348 7.151,1349 51.66,1350 51.66,1351 18,1352 12.306,1353 3.807,1354 3,1355 47.463,1356 126,1357 95,1358 0.186,1359 179.525,1360 326.48,1361 429.801,1362 12621,1363 6.5,1364 19.441,1365 0.72,1366 0.544,1367 16.941,1368 14.7,1369 12.826,1370 0.442,1371 0.297,1372 8.435,1373 12.055,1374 8.32,1375 6.86,1376 11.614,1377 8.624,1378 12.345,1379 0.301,1380 0.155,1381 10.387,1382 6.363,1383 9.318,1384 0.19,1385 0.089,1386 8.382,1387 4.352,1388 7.329,1389 0.126,1390 0.049,1391 6.63,1392 2.834,1393 5.577,1394 0.081,1395 0.027,1396 5.313,1397 1.861,1398 0.303,1399 82.405,1400 0.231,1401 26.605,1402 0.48,1403 140,1404 646.83,1405 172.557,1406 529.436,1407 686.54,1408 490,1409 160,1410 483.816,1411 185.106,1412 461.009,1413 693.16,1414 432,1415 4.301}
{0 CHEMBL238573,1 1.764,2 12.593,3 4.927,4 24.275,5 92.645,6 8.27,7 0.414,8 3.945,9 4.045,10 3.579,11 3.421,12 5.125,13 3.444,14 4.524,15 4.679,16 4.028,17 3.786,18 6.162,19 3.797,20 4.748,21 4.943,22 3.969,23 3.888,24 5.92,25 3.868,26 4.824,27 5.06,28 3.858,29 3.742,30 6.128,31 3.734,32 4.505,33 4.702,34 3.697,35 3.607,36 5.791,37 3.602,38 4.419,39 4.594,40 3.576,41 3.598,42 5.735,43 3.549,44 4.34,45 4.551,46 3.474,47 3.602,48 5.414,49 3.503,50 4.356,51 4.582,52 3.484,53 3.471,54 5.535,55 3.413,56 0.192,57 0.845,58 7.71,59 4.501,60 27.511,61 4.941,62 1.077,63 1.639,64 18.136,65 7.272,66 149.125,67 8.547,68 0.711,69 1.437,70 24.28,71 9.185,72 64.157,73 11.436,74 1.335,75 1.41,76 31.972,77 8.65,78 149.135,79 10.672,80 0.814,81 1.058,82 20.589,83 6.785,84 93.587,85 8.069,86 0.952,87 0.882,88 18.2,89 6.399,90 90.62,91 7.759,92 0.47,93 0.965,94 15.983,95 7.145,96 42.574,97 9.382,98 0.441,99 1.029,100 17.306,101 6.828,102 39.444,103 8.721,104 27,105 41,106 0.305,107 0.613,108 0.764,109 0.829,110 0.844,111 0.859,112 3.339,113 0.889,114 -5.09,115 -4.99,116 -4.68,121 41.3,122 1,123 2,124 1,127 2,134 1,144 6,145 1,146 2,147 1,149 1,161 1,176 7,179 4,180 9,187 5,192 8,200 3,206 11,214 2,218 1,219 10,227 4,239 8,243 3,244 1,251 10,256 1,264 4,268 2,269 5,281 1095,282 17.574,283 17.574,284 17.574,285 17.574,286 17.574,287 16.035,288 21.468,289 10.246,290 18.22,291 14.318,292 14.318,293 14.318,294 14.318,295 14.318,296 11.968,297 23.408,298 4.902,299 15.469,300 3.759,301 1.977,302 1.109,303 0.728,304 0.642,305 0.555,306 4.017,311 1,312 1,313 717,314 3.742,318 307.252,325 2.23,326 46.5,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 62.5,338 340,339 4.44,340 4.46,341 7.111,342 4.168,343 3.314,344 3.846,345 3.825,346 11.657,347 2.856,348 4.117,349 3.789,350 6.081,351 3.809,352 2.875,353 3.655,354 2.208,355 8.825,356 2.678,357 3.956,358 3.074,359 5.615,360 3.625,361 2.694,362 3.206,363 0.86,364 7.78,365 2.517,366 3.767,367 2.723,368 5.342,369 3.377,370 2.449,371 3.074,372 0.655,373 6.977,374 2.245,375 3.423,376 2.531,377 5.029,378 3.18,379 2.208,380 2.654,381 0.13,382 6.063,383 2.124,384 3.24,385 2.313,386 4.918,387 2.934,388 1.992,389 2.293,391 5.673,392 1.855,393 2.901,394 1.913,395 4.556,396 2.471,397 1.564,398 2.012,400 4.606,401 1.38,402 2.5,403 1.875,404 3.975,405 2.309,406 1.326,407 1.5,409 3.252,410 1.294,411 2.5,412 1.223,413 3.466,414 2,415 1.032,416 1.5,418 2.459,419 1,420 2.482,421 1,422 3.414,423 2,424 1,425 1.436,427 2.275,428 0.987,429 2.116,430 1,431 3.414,432 1.959,433 1,434 1.088,436 2.275,437 0.956,438 1.547,439 0.907,440 3.046,441 1.17,442 0.26,443 0.316,445 0.657,446 0.233,447 1.128,448 0.51,449 2.741,450 0.72,451 -0.205,452 -0.252,454 -0.517,455 -0.187,456 0.704,457 0.51,458 2.556,459 0.57,460 -0.406,461 -0.41,463 -0.9,464 -0.394,465 0.602,466 0.446,467 2,468 0.262,469 -0.671,470 -0.77,472 -1.729,473 -0.616,474 12.157,475 0.45,476 0.863,477 0.032,478 32.25,479 1.194,480 14.5,481 0.537,482 17.75,483 0.657,484 21.931,485 0.812,486 31.043,487 0.675,488 25.707,489 0.952,490 6.345,491 0.235,492 6.463,493 0.239,494 0.139,495 0.041,496 0.28,498 3,501 0.629,502 1.091,503 0.642,504 1.228,505 0.573,506 1.026,507 0.45,508 0.752,509 0.699,510 1.014,511 0.333,512 0.982,513 0.745,514 0.95,515 0.839,516 1.185,517 0.502,518 1.096,519 1.166,520 0.719,521 1.027,522 0.741,523 1.029,524 0.799,525 0.993,526 0.78,527 0.955,528 0.874,529 1.021,530 0.888,531 0.724,532 0.529,533 1.057,534 0.837,535 0.761,536 1.036,537 0.269,538 0.757,539 0.76,540 1.164,541 0.311,542 1.2,543 0.616,544 1.066,545 0.752,546 1.255,547 0.537,548 1.134,549 7.5,550 0.136,551 3.111,552 1.625,553 1.467,554 0.694,555 0.445,556 0.441,557 0.242,558 0.206,559 9867,560 34264,561 2.005,562 41.3,563 5,564 10,566 1,569 3,572 1.692,573 1.851,574 3.597,575 -0.696,582 81.153,583 1.764,584 3.547,585 4.414,586 4.795,587 4.882,588 4.969,589 3.102,590 4.014,591 4.726,592 3.837,593 1346.62,594 8.157,595 18450.9,597 1,600 254.084,601 1.623,602 4.663,603 0.259,604 0.008,605 0.076,606 0.042,607 0.044,608 0.023,609 0.017,610 0.018,611 0.011,612 0.01,613 0.508,614 0.33,615 1,616 0.803,617 137.738,618 -0.035,619 -0.139,620 0.041,621 -0.123,622 -0.065,623 -0.038,624 0.405,625 0.257,626 0.152,628 0.447,629 -0.03,630 -0.039,631 -0.208,632 0.049,633 -0.21,634 0.054,635 -0.089,636 -0.129,637 0.097,638 0.03,639 0.153,640 -0.062,641 0.158,642 -0.111,643 -0.009,644 -0.009,645 0.073,646 -0.123,647 0.082,648 0.08,649 0.156,650 -0.168,651 0.126,652 -0.034,653 -0.064,654 0.22,655 -0.048,656 0.079,657 -0.122,658 0.106,659 -0.107,660 0.06,661 -0.272,662 0.175,663 -0.244,664 0.089,665 -0.064,666 5.691,667 5.172,668 0.667,669 29.284,670 1.034,671 1.148,672 3.865,673 14.936,674 0.648,675 3.401,676 3.738,677 3.892,678 4.06,679 4.263,680 4.234,681 4.317,682 4.357,683 4.394,684 4.466,685 7.639,686 0.644,687 380.4,688 3.401,689 4.949,690 5.765,691 6.632,692 7.463,693 8.327,694 9.164,695 10.025,696 10.864,697 11.725,698 4.3,705 1,708 1,715 7,716 1,720 4,722 12,737 1,739 1,741 46,743 13,744 1,745 29,747 48,748 19,749 11,750 2,751 4,756 3,757 3,763 2,767 2,768 1,769 1,770 2,772 12,773 7,774 1,777 1,782 1,786 1,791 3,793 19,794 8,796 8,802 2,808 1,809 3,822 1,829 3,859 3,864 1,866 3,868 27,876 4,878 2,880 1,881 1,882 1,892 3,893 6.5,896 1,898 2,901 14.583,902 8.495,903 5.778,904 2.828,907 2.236,908 1.313,909 0.95,910 5.908,911 9.387,912 3.611,913 4.143,914 4.57,915 5.029,916 5.538,917 5.609,918 5.925,919 6.227,920 6.498,921 6.831,922 1,923 39,924 10.432,926 4.87,927 0.026,929 8.312,931 18.348,933 14.842,936 2.812,937 75.917,940 1,941 223.651,942 117.02,943 19.91,945 47.145,946 44.88,948 117.02,949 270.796,950 64.79,951 8.825,952 12.405,953 56.857,954 53.702,955 89.6,956 11.577,957 211.88,958 7.76,959 223.651,960 136.929,961 92.025,964 188.338,965 127.338,968 38.037,969 82.107,970 16.786,972 268.531,973 67.055,974 117.02,977 231.41,978 34.53,979 77.854,981 108.811,982 223.651,983 111.935,984 117.02,986 0.593,987 0.321,988 0.155,989 0.085,990 19,991 9,992 0.083,993 4,995 1,996 3.946,997 214.803,999 18,1000 119.627,1005 19.5,1006 8.18,1007 5.363,1009 111.935,1010 8.994,1011 3.645,1015 -0.071,1018 452.605,1019 36,1024 12.172,1028 -0.389,1031 47.56,1032 52.796,1034 0.319,1035 0.642,1036 0.799,1037 0.868,1038 0.884,1039 0.9,1040 4.868,1041 1.326,1042 5.79,1043 4.606,1044 4.419,1045 4.828,1046 3.45,1047 6.589,1048 4.267,1049 6.067,1050 1.032,1051 7.356,1052 3.252,1053 4.205,1054 4.635,1055 4.006,1056 7.695,1057 3.858,1058 7.37,1059 1,1060 9.03,1061 2.459,1062 6.066,1063 6.891,1064 5.561,1065 10.637,1066 5.725,1067 8.701,1068 1,1069 10.771,1070 2.275,1071 6.608,1072 7.398,1073 6.735,1074 12.558,1075 6.041,1076 10.061,1077 0.26,1078 12.558,1079 2.275,1080 8.02,1081 9.22,1082 8.102,1083 15.12,1084 7.44,1085 11.44,1086 -0.205,1087 14.379,1088 0.657,1089 8.897,1090 10.054,1091 9.406,1092 17.366,1093 8.094,1094 12.835,1095 -0.406,1096 16.225,1097 -0.517,1098 10.144,1099 11.677,1100 10.748,1101 19.832,1102 9.288,1103 3.314,1104 -0.671,1105 18.092,1106 -0.9,1107 11.178,1108 12.693,1109 12.081,1110 22.204,1111 10.115,1112 2.875,1113 11.657,1114 19.977,1115 -1.729,1116 12.367,1117 14.204,1118 13.421,1119 24.651,1120 11.214,1121 2.694,1122 8.825,1123 21.875,1124 3.846,1125 13.475,1126 15.332,1127 14.76,1128 27.072,1129 12.132,1130 2.449,1131 7.78,1132 23.785,1133 3.655,1134 14.648,1135 16.776,1136 16.101,1137 29.519,1138 13.187,1139 2.208,1140 6.977,1141 25.704,1142 3.206,1143 15.794,1144 17.975,1145 17.442,1146 31.959,1147 14.155,1148 1.992,1149 6.063,1150 27.631,1151 3.074,1152 16.967,1153 19.378,1154 18.783,1155 34.408,1156 15.191,1157 1.564,1158 5.673,1159 29.564,1160 2.654,1161 18.131,1162 20.624,1163 20.125,1164 36.857,1165 16.186,1166 9618,1167 18305,1168 18.781,1169 29.801,1170 44.183,1171 43.875,1172 44.072,1173 43.658,1174 43.426,1175 53.159,1176 15.356,1177 124.999,1178 40.25,1179 5.44,1180 6.46,1181 6.663,1182 5.269,1183 5.314,1184 6.846,1185 5.529,1186 18.535,1187 4.856,1188 15.577,1189 1.524,1190 1.513,1191 1.52,1192 1.505,1193 1.497,1194 1.833,1195 0.53,1196 4.31,1197 1.388,1198 3.968,1199 3.995,1200 3.924,1201 3.847,1202 8.513,1203 3.859,1204 3.874,1205 3.923,1206 3.814,1207 3.738,1208 7.999,1209 3.748,1210 3.823,1211 3.855,1212 3.73,1213 3.715,1214 7.999,1215 3.709,1216 3.38,1217 3.417,1218 3.355,1219 3.131,1220 7.433,1221 3.151,1222 3.301,1223 3.348,1224 3.27,1225 3.027,1226 5.003,1227 3.06,1228 3.223,1229 3.285,1230 3.014,1231 2.966,1232 4.767,1233 3.005,1234 2.913,1235 2.956,1236 2.826,1237 2.735,1238 4.369,1239 2.715,1240 2.854,1241 2.925,1242 2.687,1243 2.69,1244 4.261,1245 2.71,1246 0.153,1247 0.154,1248 0.245,1249 0.144,1250 0.114,1251 4.44,1252 0.133,1253 4.46,1254 0.132,1255 7.111,1256 0.402,1257 4.168,1258 0.098,1259 3.314,1260 3.846,1261 3.825,1262 11.657,1263 2.856,1264 1.888,1265 1.868,1266 2.065,1267 2.042,1268 1.423,1269 2.046,1270 1.845,1271 1.791,1272 1.977,1273 2.005,1274 1.044,1275 1.994,1276 1.797,1277 1.765,1278 1.892,1279 1.917,1280 0.959,1281 1.912,1282 1.319,1283 1.244,1284 1.651,1285 1.564,1286 0.903,1287 1.586,1288 1.167,1289 1.132,1290 1.399,1291 1.461,1292 0.626,1293 1.437,1294 1.063,1295 1.034,1296 1.23,1297 1.41,1298 0.407,1299 1.309,1300 0.886,1301 0.821,1302 1.181,1303 1.121,1304 0.22,1305 1.138,1306 0.828,1307 0.782,1308 1.16,1309 1.062,1310 0.218,1311 1.107,1312 4.078,1314 5.407,1316 6.915,1318 8.494,1320 10.108,1322 2.098,1324 37.576,1328 3.431,1330 10.758,1332 0.457,1333 1.685,1334 -4.441,1340 29.605,1341 81.153,1342 163.148,1343 203.064,1344 220.574,1345 224.574,1346 228.574,1347 62.607,1348 7.151,1349 51.66,1350 51.66,1351 18,1352 12.279,1353 3.807,1354 3,1355 47.472,1356 127,1357 95,1358 0.184,1359 179.525,1360 326.48,1361 429.801,1362 12621,1363 6.5,1364 19.441,1365 0.72,1366 0.544,1367 16.941,1368 14.7,1369 12.809,1370 0.442,1371 0.296,1372 8.4,1373 12.041,1374 8.272,1375 6.835,1376 11.597,1377 8.59,1378 12.451,1379 0.304,1380 0.159,1381 10.493,1382 6.518,1383 9.191,1384 0.191,1385 0.088,1386 8.255,1387 4.23,1388 7.155,1389 0.126,1390 0.05,1391 6.455,1392 2.825,1393 5.714,1394 0.082,1395 0.026,1396 5.45,1397 1.853,1398 0.301,1399 82.341,1400 0.231,1401 26.654,1402 0.474,1403 140,1404 646.83,1405 172.224,1406 529.78,1407 685.26,1408 490,1409 159,1410 480.464,1411 184.106,1412 458.898,1413 689.04,1414 429,1415 4.301}
{0 CHEMBL238764,1 1.439,2 11.583,3 4.936,4 24.367,5 91.679,6 7.79,7 0.692,8 3.809,9 3.901,10 3.421,11 3.388,12 4.993,13 3.378,14 4.269,15 4.398,16 3.735,17 3.703,18 5.483,19 3.678,20 4.485,21 4.651,22 3.737,23 3.756,24 5.602,25 3.721,26 4.463,27 4.637,28 3.601,29 3.648,30 5.641,31 3.61,32 4.384,33 4.568,34 3.571,35 3.641,36 5.59,37 3.588,38 4.349,39 4.542,40 3.422,41 3.632,42 5.445,43 3.541,44 4.284,45 4.513,46 3.266,47 3.531,48 5.293,49 3.401,50 4.11,51 4.344,52 3.107,53 3.313,54 5.053,55 3.205,56 0.012,57 0.509,58 7.342,59 3.743,60 5.107,61 4.438,62 0.262,63 0.808,64 13.208,65 5.768,66 21.353,67 7.064,68 0.201,69 0.963,70 18.365,71 7.383,72 24.643,73 8.748,74 0.318,75 0.923,76 19.037,77 7.023,78 41.535,79 7.963,80 0.335,81 0.871,82 17.377,83 6.675,84 40.787,85 8.085,86 0.193,87 0.846,88 16.437,89 6.808,90 33.158,91 8.484,92 0.271,93 0.791,94 16.211,95 6.797,96 31.609,97 9.189,98 0.114,99 0.661,100 13.769,101 5.631,102 17.944,103 7.469,104 5,105 34,106 0.251,107 0.432,108 0.527,109 0.689,110 0.787,111 0.813,112 3.227,113 0.872,114 -5.12,115 -5.02,116 -4.7,121 48.8,126 1,144 14,146 4,161 1,176 10,179 3,180 8,187 10,192 8,200 6,206 10,214 4,218 1,219 8,227 8,232 2,239 10,243 2,244 2,251 10,256 2,264 6,269 7,277 2,281 828,282 16.413,283 16.413,284 16.413,285 16.413,286 16.413,287 14.082,288 17.013,289 10.048,290 16.75,291 12.851,292 12.851,293 12.851,294 12.851,295 12.851,296 9.482,297 21.754,298 4.83,299 13.409,300 3.919,301 2.881,302 2.337,303 1.409,304 0.848,305 0.701,306 3.912,311 1,312 1,313 596,314 3.162,318 268.922,325 1.951,326 18.465,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 51.5,338 278,339 4.199,340 3.801,341 6.339,342 3.887,343 2.95,344 3.698,345 2.208,346 9.428,347 2.758,348 4.069,349 3.073,350 5.623,351 3.655,352 2.715,353 3.593,354 0.86,355 7.799,356 2.551,357 3.862,358 2.787,359 5.402,360 3.425,361 2.474,362 3.411,363 0.655,364 7.116,365 2.349,366 3.589,367 2.591,368 5.051,369 3.143,370 2.173,371 2.926,372 0.13,373 6.036,374 2.091,375 3.332,376 2.265,377 4.855,378 2.902,379 1.935,380 2.603,382 5.324,383 1.853,384 2.888,385 1.73,386 3.775,387 2.425,388 1.444,389 2.037,391 3.151,392 1.408,393 2.851,394 1.527,395 3.589,396 2.375,397 1.389,398 1.985,400 3.027,401 1.363,402 2.5,403 1.046,404 3.414,405 2,406 1,407 1.5,409 2.275,410 1,411 2.5,412 1,413 3.279,414 2,415 1,416 1.5,418 2.136,419 1,420 2.5,421 1,422 3.247,423 2,424 1,425 1.5,427 2.136,428 1,429 1.947,430 1,431 3.247,432 1.619,433 0.673,434 0.803,436 1.633,437 0.628,438 1.515,439 0.862,440 2.841,441 1.125,442 0.193,443 0.241,445 0.469,446 0.177,447 1.049,448 0.328,449 2.481,450 0.639,451 -0.306,452 -0.392,454 -0.756,455 -0.285,456 0.66,457 -0.242,458 2,459 0.225,460 -0.749,461 -0.964,463 -1.608,464 -0.725,465 0.628,466 -0.61,467 1.866,468 0.183,469 -0.79,470 -1.047,472 -1.852,473 -0.753,474 11.4,475 0.475,476 0.452,477 0.019,478 36,479 1.5,480 21,481 0.875,482 15,483 0.625,484 13.729,485 0.572,486 24.6,487 0.6,488 25.151,489 1.048,490 7.534,491 0.314,492 4.186,493 0.174,494 0.073,496 0.254,501 0.771,502 1.203,503 0.725,504 1.054,505 0.63,506 0.912,507 0.719,508 1.055,509 0.855,510 1.032,511 0.536,512 0.972,513 1.373,514 1.118,515 1.022,516 1.069,517 0.892,518 0.999,519 1.824,520 1.023,521 1.207,522 0.97,523 1.681,524 0.981,525 1.266,526 0.901,527 1.027,528 0.883,529 1.712,530 0.904,531 1.083,532 1.007,533 1.123,534 1.049,535 1.5,536 1.085,537 0.444,538 0.917,539 0.914,540 1.008,541 0.571,542 1.042,543 0.768,544 1.002,545 0.875,546 1.024,547 0.551,548 0.982,549 4,550 0.095,551 2,552 1.25,553 1.044,554 0.479,555 0.422,556 0.17,557 0.143,558 0.128,559 7220,560 19304,561 2.089,562 41.5,564 17,572 1.662,573 2,574 3.509,575 -0.823,582 58.979,583 1.439,584 2.477,585 3.02,586 3.948,587 4.51,588 4.656,589 2.959,590 4.085,591 4.556,592 3.663,593 1011.06,594 7.827,595 12444.5,597 1,600 219.66,601 1.189,602 4.536,603 0.154,604 0.007,605 0.059,606 0.038,607 0.037,608 0.017,609 0.018,610 0.009,611 0.008,612 0.009,613 0.355,614 0.33,615 1,616 0.49,617 116.794,618 -0.008,619 -0.174,620 0.06,621 -0.096,622 -0.078,623 -0.025,624 0.279,625 -0.006,626 0.022,627 -0.092,628 0.165,629 -0.082,630 -0.129,631 -0.132,632 -0.047,633 -0.114,634 -0.018,635 -0.073,636 -0.281,637 -0.04,638 -0.172,639 -0.024,640 -0.165,641 -0.07,642 -0.027,643 0.092,644 -0.027,645 0.076,646 -0.069,647 0.037,648 -0.133,649 -0.039,650 -0.161,651 -0.071,652 -0.198,653 -0.111,654 0.259,655 0.02,656 0.069,657 -0.002,658 0.131,659 -0.002,660 0.035,661 -0.068,662 0.134,663 -0.023,664 0.057,665 0.055,666 2.113,667 5.161,668 0.75,669 23.375,670 1.004,671 1.108,672 3.893,673 15.157,674 0.694,675 3.296,676 3.555,677 3.761,678 3.932,679 4.111,680 3.97,681 4.078,682 4.143,683 4.143,684 4.174,685 6.776,686 0.668,687 319.38,688 3.296,689 4.796,690 5.609,691 6.444,692 7.27,693 8.108,694 8.939,695 9.778,696 10.61,697 11.45,698 2.4,705 1,715 14,720 4,722 18,737 1,739 1,741 41,743 19,744 3,745 26,747 43,748 20,749 18,750 4,751 14,756 3,757 3,772 19,773 1,777 1,782 1,786 1,793 17,794 4,796 4,802 1,808 1,809 3,829 3,859 3,864 1,868 24,878 2,881 1,893 7.3,896 1,898 2,901 12,902 7.617,903 5.389,904 2.286,907 2.976,908 1.439,909 0.975,910 5.139,911 9.759,912 3.611,913 4.151,914 4.642,915 5.139,916 5.641,917 5.52,918 5.868,919 6.205,920 6.417,921 6.724,922 0.875,923 33,924 8.816,926 3.619,927 0.026,929 7.764,931 16.634,933 12.926,936 2.264,937 54.333,940 1,941 200.109,942 166.313,943 3.124,945 47.145,948 166.313,949 247.253,950 3.124,951 8.396,952 3.124,953 132.667,954 25.145,955 40.487,956 6.763,957 200.109,959 200.109,960 169.438,961 47.145,964 200.109,965 47.145,968 3.124,969 166.313,972 200.109,973 50.269,974 166.313,977 200.109,978 25.25,979 144.188,981 47.145,982 200.109,983 50.269,984 166.313,986 0.567,987 0.324,988 0.168,989 0.091,990 15,991 6,992 0.116,993 5,995 1,996 3.786,997 180.879,999 18,1000 98.039,1005 16.092,1006 7.664,1007 4.376,1009 50.269,1010 25.758,1015 2.665,1018 416.691,1019 36,1024 12.161,1028 -0.446,1031 41.153,1032 45.448,1034 0.269,1035 0.462,1036 0.564,1037 0.737,1038 0.842,1039 0.869,1040 4.792,1041 1,1042 5.549,1043 3.027,1044 4.234,1045 4.836,1046 2.456,1047 6.263,1048 4.145,1049 5.963,1050 1,1051 7.047,1052 2.275,1053 3.611,1054 4.29,1055 1.847,1056 6.946,1057 3.413,1058 7.225,1059 1,1060 8.643,1061 2.136,1062 5.733,1063 6.911,1064 3.559,1065 10.016,1066 5.53,1067 8.519,1068 0.673,1069 10.3,1070 2.136,1071 5.943,1072 7.124,1073 3.656,1074 11.535,1075 5.605,1076 9.84,1077 0.193,1078 11.996,1079 1.633,1080 7.494,1081 9.211,1082 4.961,1083 14.091,1084 7.165,1085 11.18,1086 -0.306,1087 13.72,1088 0.469,1089 8.107,1090 9.802,1091 5.37,1092 15.97,1093 7.641,1094 12.536,1095 -0.749,1096 15.463,1097 -0.756,1098 9.397,1099 11.616,1100 6.459,1101 18.335,1102 8.932,1103 2.95,1104 -0.79,1105 17.222,1106 -1.608,1107 10.222,1108 12.433,1109 7.028,1110 20.388,1111 9.629,1112 2.715,1113 9.428,1114 18.993,1115 -1.852,1116 11.386,1117 14.078,1118 7.994,1119 22.677,1120 10.779,1121 2.474,1122 7.799,1123 20.773,1124 3.698,1125 12.324,1126 15.043,1127 8.654,1128 24.818,1129 11.602,1130 2.173,1131 7.116,1132 22.562,1133 3.593,1134 13.429,1135 16.576,1136 9.549,1137 27.076,1138 12.678,1139 1.935,1140 6.036,1141 24.359,1142 3.411,1143 14.426,1144 17.641,1145 10.263,1146 29.263,1147 13.574,1148 1.444,1149 5.324,1150 26.161,1151 2.926,1152 15.505,1153 19.098,1154 11.116,1155 31.509,1156 14.61,1157 1.389,1158 3.151,1159 27.969,1160 2.603,1161 16.534,1162 20.234,1163 11.862,1164 33.721,1165 15.549,1166 6916,1167 11453,1168 17.682,1169 28.46,1170 38.276,1171 38.977,1172 38.556,1173 37.942,1174 37.888,1175 51.594,1176 7.706,1177 101.058,1178 36.358,1179 5.07,1180 5.801,1181 6.141,1182 4.981,1183 4.95,1184 6.698,1185 3.912,1186 16.152,1187 4.758,1188 8.493,1189 1.472,1190 1.499,1191 1.483,1192 1.459,1193 1.457,1194 1.984,1195 0.296,1196 3.887,1197 1.398,1198 3.968,1199 3.989,1200 3.915,1201 3.872,1202 7.433,1203 3.877,1204 3.897,1205 3.927,1206 3.833,1207 3.82,1208 4.956,1209 3.818,1210 3.816,1211 3.842,1212 3.747,1213 3.752,1214 4.764,1215 3.747,1216 3.465,1217 3.509,1218 3.398,1219 3.201,1220 4.723,1221 3.241,1222 3.067,1223 3.089,1224 2.968,1225 2.844,1226 4.347,1227 2.87,1228 2.894,1229 2.929,1230 2.766,1231 2.735,1232 4.045,1233 2.715,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 3.845,1239 2.715,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.162,1247 0.146,1248 0.244,1249 0.15,1250 0.113,1251 4.199,1252 0.142,1253 3.801,1254 0.085,1255 6.339,1256 0.363,1257 3.887,1258 0.106,1259 2.95,1260 3.698,1261 2.208,1262 9.428,1263 2.758,1264 1.908,1265 1.889,1266 2.02,1267 2.026,1268 1.083,1269 2.021,1270 1.89,1271 1.86,1272 2.011,1273 1.992,1274 1.065,1275 1.999,1276 1.818,1277 1.793,1278 1.939,1279 1.906,1280 1.008,1281 1.919,1282 1.363,1283 1.304,1284 1.635,1285 1.639,1286 0.682,1287 1.633,1288 0.962,1289 0.943,1290 1.181,1291 1.26,1292 0.218,1293 1.217,1294 0.886,1295 0.821,1296 1.181,1297 1.081,1298 0.218,1299 1.107,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.886,1307 0.821,1308 1.137,1309 1.062,1310 0.175,1311 1.107,1312 3.97,1314 5.242,1316 6.711,1318 8.257,1320 9.838,1322 1.671,1330 11.071,1333 1.453,1340 27.38,1341 58.979,1342 101.544,1343 123.827,1344 161.885,1345 184.905,1346 190.905,1347 32.836,1348 6.783,1349 38.77,1350 38.77,1351 18,1352 12.017,1353 4.322,1354 3.459,1355 39.577,1356 98,1357 88,1358 0.195,1359 169.946,1360 295.75,1361 406.429,1362 7916,1364 16.778,1365 0.699,1366 0.552,1367 16.778,1368 13.255,1369 11.72,1370 0.451,1371 0.291,1372 7.458,1373 11.307,1374 7.27,1375 6.098,1376 11.72,1377 7.558,1378 10.097,1379 0.297,1380 0.151,1381 10.097,1382 5.149,1383 8.354,1384 0.199,1385 0.082,1386 8.354,1387 3.425,1388 6.462,1389 0.129,1390 0.043,1391 6.462,1392 2.127,1393 5.188,1394 0.086,1395 0.023,1396 5.188,1397 1.371,1398 0.315,1399 73.154,1400 0.238,1401 24.063,1402 0.511,1403 120,1404 378.852,1405 133.375,1406 362.564,1407 497.4,1408 340,1409 136,1410 372.351,1411 148.631,1412 373.555,1413 539.57,1414 351,1415 4.301}
{0 CHEMBL238785,1 1.764,2 13.148,3 4.86,4 23.615,5 92.721,6 8.27,7 0.414,8 3.945,9 4.045,10 3.579,11 3.421,12 5.125,13 3.444,14 4.524,15 4.679,16 4.028,17 3.786,18 6.162,19 3.797,20 4.748,21 4.944,22 3.966,23 3.893,24 5.918,25 3.872,26 4.821,27 5.051,28 3.844,29 3.744,30 6.13,31 3.726,32 4.535,33 4.763,34 3.65,35 3.576,36 5.761,37 3.567,38 4.292,39 4.439,40 3.605,41 3.575,42 5.656,43 3.536,44 4.399,45 4.606,46 3.458,47 3.582,48 5.517,49 3.491,50 4.317,51 4.549,52 3.471,53 3.419,54 5.497,55 3.374,56 0.192,57 0.845,58 7.71,59 4.501,60 27.511,61 4.941,62 1.077,63 1.639,64 18.136,65 7.272,66 149.209,67 8.547,68 0.716,69 1.437,70 24.329,71 9.213,72 63.862,73 11.431,74 1.296,75 1.408,76 31.359,77 8.901,78 148.149,79 10.944,80 0.924,81 1.044,82 23.159,83 6.619,84 106.611,85 8.267,86 0.716,87 0.863,88 13.953,89 5.946,90 58.837,91 7.141,92 0.625,93 0.948,94 17.843,95 7.143,96 61.016,97 9.147,98 0.443,99 0.992,100 17.095,101 6.5,102 42.387,103 8.333,104 27,105 41,106 0.305,107 0.613,108 0.749,109 0.784,110 0.799,111 0.814,112 3.339,113 0.889,114 -5.09,115 -4.99,116 -4.68,121 41.3,122 1,123 2,124 1,127 2,134 1,144 6,145 1,146 2,147 1,149 1,161 1,176 7,179 4,180 9,187 6,192 7,200 2,206 12,214 2,218 1,219 8,227 4,232 2,239 8,243 3,244 1,251 8,256 1,264 4,268 2,269 5,277 2,281 1108,282 17.574,283 17.574,284 17.574,285 17.574,286 17.574,287 16.035,288 21.468,289 10.21,290 18.228,291 14.301,292 14.301,293 14.301,294 14.301,295 14.301,296 11.951,297 23.408,298 4.883,299 15.456,300 3.759,301 1.977,302 1.196,303 0.989,304 0.902,305 0.815,306 4.017,311 1,312 1,313 749,314 3.742,318 308.938,325 2.228,326 46.499,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 62.5,338 355,339 4.44,340 4.46,341 7.111,342 4.168,343 3.314,344 3.846,345 3.825,346 11.657,347 2.856,348 4.115,349 3.787,350 6.058,351 3.792,352 2.859,353 3.655,354 2.208,355 8.721,356 2.659,357 3.948,358 3.074,359 5.613,360 3.619,361 2.689,362 3.204,363 0.86,364 7.773,365 2.513,366 3.763,367 2.714,368 5.331,369 3.38,370 2.447,371 3.068,372 0.655,373 6.931,374 2.27,375 3.422,376 2.512,377 5.033,378 3.229,379 2.253,380 2.648,381 0.13,382 6.075,383 2.162,384 3.278,385 2.314,386 4.954,387 2.951,388 2.018,389 2.33,391 5.825,392 1.866,393 2.901,394 1.99,395 4.556,396 2.472,397 1.565,398 2.013,400 4.607,401 1.38,402 2.514,403 1.908,404 4.022,405 2.227,406 1.258,407 1.5,409 3.314,410 1.198,411 2.5,412 1.077,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.5,421 1,422 3.414,423 1.984,424 1,425 1.45,427 2.275,428 0.983,429 2,430 1,431 3.414,432 1.959,433 1,434 1,436 2.275,437 0.956,438 1.549,439 0.91,440 3.049,441 1.179,442 0.272,443 0.328,445 0.685,446 0.243,447 1.128,448 0.51,449 2.75,450 0.795,451 -0.141,452 -0.155,454 -0.342,455 -0.13,456 0.842,457 0.51,458 2.56,459 0.677,460 -0.308,461 -0.365,463 -0.687,464 -0.3,465 0.69,466 0.454,467 2,468 0.26,469 -0.691,470 -0.884,472 -1.736,473 -0.645,474 12.157,475 0.45,476 0.863,477 0.032,478 32.25,479 1.194,480 14.5,481 0.537,482 17.75,483 0.657,484 21.862,485 0.81,486 31.043,487 0.675,488 25.625,489 0.949,490 6.355,491 0.235,492 6.454,493 0.239,494 0.139,495 0.041,496 0.28,498 3,501 0.629,502 1.091,503 0.642,504 1.228,505 0.573,506 1.026,507 0.45,508 0.752,509 0.699,510 1.014,511 0.333,512 0.982,513 0.748,514 0.926,515 0.843,516 1.162,517 0.503,518 1.082,519 1.138,520 0.788,521 1.045,522 0.863,523 1.025,524 0.907,525 1.009,526 0.637,527 0.899,528 0.603,529 1.011,530 0.664,531 0.503,532 0.683,533 0.969,534 1.114,535 0.571,536 1.218,537 0.51,538 0.704,539 0.901,540 1.07,541 0.526,542 1.162,543 0.637,544 1.044,545 0.683,546 1.165,547 0.547,548 1.02,549 7.5,550 0.165,551 3.333,552 1.5,553 1.387,554 0.806,555 0.402,556 0.441,557 0.279,558 0.18,559 9955,560 34448,561 2.005,562 41.3,563 4,564 10,566 1,569 4,572 1.692,573 1.851,574 3.648,575 -0.696,582 81.153,583 1.764,584 3.547,585 4.327,586 4.534,587 4.621,588 4.708,589 3.097,590 3.93,591 4.725,592 3.865,593 1356.66,594 8.154,595 18607.2,597 1,600 254.084,601 1.623,602 4.663,603 0.259,604 0.01,605 0.081,606 0.038,607 0.043,608 0.028,609 0.015,610 0.019,611 0.012,612 0.009,613 0.514,614 0.33,615 1,616 0.803,617 137.956,618 -0.035,619 -0.139,620 0.041,621 -0.123,622 -0.065,623 -0.038,624 0.405,625 0.257,626 0.152,628 0.447,629 -0.03,630 -0.043,631 -0.183,632 0.044,633 -0.186,634 0.053,635 -0.075,636 -0.111,637 0.03,638 0.001,639 0.048,640 -0.059,641 0.06,642 -0.122,643 0.086,644 0.1,645 0.3,646 -0.125,647 0.309,648 0.196,649 0.093,650 -0.165,651 -0.098,652 0.053,653 -0.237,654 0.113,655 -0.035,656 -0.017,657 -0.065,658 0.021,659 -0.105,660 0.063,661 -0.252,662 0.264,663 -0.161,664 0.105,665 0.051,666 5.691,667 5.134,668 0.667,669 29.819,670 1.034,671 1.148,672 3.865,673 14.936,674 0.648,675 3.401,676 3.738,677 3.892,678 4.043,679 4.263,680 4.263,681 4.29,682 4.369,683 4.394,684 4.443,685 7.72,686 0.644,687 380.4,688 3.401,689 4.949,690 5.765,691 6.629,692 7.461,693 8.322,694 9.159,695 10.019,696 10.858,697 11.718,698 4.3,705 1,708 1,715 7,716 1,720 4,722 12,737 1,739 1,741 46,743 13,744 1,745 29,747 48,748 19,749 11,750 2,751 4,756 3,757 3,763 2,767 2,768 1,769 1,770 2,772 12,773 7,774 1,777 1,782 1,786 1,791 3,793 19,794 8,796 8,802 2,808 1,809 3,822 1,829 3,859 3,864 1,866 3,868 27,876 4,878 2,880 1,881 1,882 1,892 3,893 6.5,896 1,898 2,901 14.583,902 8.495,903 5.778,904 2.828,907 2.236,908 1.313,909 0.95,910 5.908,911 9.387,912 3.611,913 4.143,914 4.57,915 5.022,916 5.534,917 5.624,918 5.914,919 6.228,920 6.497,921 6.823,922 0.889,923 39,924 10.43,926 4.867,927 0.026,929 8.312,931 18.348,933 14.842,936 2.812,937 75.917,940 1,941 223.651,942 117.02,943 19.91,945 47.145,946 44.88,948 117.02,949 270.796,950 64.79,951 8.825,952 12.405,953 56.857,954 53.702,955 89.6,956 11.577,957 211.88,958 7.76,959 223.651,960 136.929,961 92.025,964 176.567,965 139.109,968 38.037,969 82.107,970 16.786,972 268.531,973 67.055,974 117.02,977 231.41,978 34.53,979 77.854,981 108.811,982 223.651,983 111.935,984 117.02,986 0.594,987 0.321,988 0.15,989 0.084,990 19,991 9,992 0.083,993 4,995 1,996 3.959,997 214.148,999 18,1000 115.627,1005 19.5,1006 8.18,1007 5.363,1009 111.935,1010 8.991,1011 3.644,1015 -0.07,1018 452.605,1019 36,1024 12.134,1028 -0.389,1031 47.56,1032 52.796,1034 0.319,1035 0.642,1036 0.783,1037 0.821,1038 0.837,1039 0.852,1040 4.868,1041 1.258,1042 5.79,1043 4.607,1044 4.419,1045 4.828,1046 3.45,1047 6.586,1048 4.267,1049 6.067,1050 1,1051 7.356,1052 3.314,1053 4.205,1054 4.635,1055 4.006,1056 7.695,1057 3.858,1058 7.37,1059 1,1060 9.03,1061 2.275,1062 6.066,1063 6.891,1064 5.561,1065 10.627,1066 5.726,1067 8.701,1068 1,1069 10.77,1070 2.275,1071 6.608,1072 7.398,1073 6.735,1074 12.552,1075 6.043,1076 10.061,1077 0.272,1078 12.556,1079 2.275,1080 8.018,1081 9.22,1082 8.102,1083 15.11,1084 7.44,1085 11.439,1086 -0.141,1087 14.376,1088 0.685,1089 8.893,1090 10.053,1091 9.406,1092 17.358,1093 8.092,1094 12.833,1095 -0.308,1096 16.221,1097 -0.342,1098 10.139,1099 11.676,1100 10.748,1101 19.823,1102 9.283,1103 3.314,1104 -0.691,1105 18.088,1106 -0.687,1107 11.171,1108 12.691,1109 12.081,1110 22.197,1111 10.107,1112 2.859,1113 11.657,1114 19.972,1115 -1.736,1116 12.359,1117 14.203,1118 13.421,1119 24.644,1120 11.204,1121 2.689,1122 8.721,1123 21.87,1124 3.846,1125 13.467,1126 15.33,1127 14.76,1128 27.066,1129 12.118,1130 2.447,1131 7.773,1132 23.78,1133 3.655,1134 14.64,1135 16.775,1136 16.101,1137 29.514,1138 13.172,1139 2.253,1140 6.931,1141 25.699,1142 3.204,1143 15.785,1144 17.974,1145 17.442,1146 31.955,1147 14.136,1148 2.018,1149 6.075,1150 27.626,1151 3.068,1152 16.958,1153 19.377,1154 18.783,1155 34.405,1156 15.171,1157 1.565,1158 5.825,1159 29.559,1160 2.648,1161 18.123,1162 20.623,1163 20.125,1164 36.854,1165 16.163,1166 9702,1167 18437,1168 18.781,1169 29.801,1170 44.066,1171 43.767,1172 44.077,1173 43.578,1174 43.349,1175 53.079,1176 15.356,1177 124.827,1178 40.17,1179 5.44,1180 6.46,1181 6.525,1182 5.269,1183 5.314,1184 6.846,1185 5.529,1186 18.535,1187 4.856,1188 15.658,1189 1.52,1190 1.509,1191 1.52,1192 1.503,1193 1.495,1194 1.83,1195 0.53,1196 4.304,1197 1.385,1198 3.967,1199 3.994,1200 3.924,1201 3.847,1202 8.513,1203 3.859,1204 3.874,1205 3.923,1206 3.813,1207 3.738,1208 7.999,1209 3.748,1210 3.823,1211 3.855,1212 3.73,1213 3.718,1214 7.999,1215 3.711,1216 3.4,1217 3.437,1218 3.36,1219 3.13,1220 7.433,1221 3.17,1222 3.303,1223 3.345,1224 3.287,1225 2.991,1226 5.003,1227 3.05,1228 3.111,1229 3.206,1230 2.894,1231 2.941,1232 4.767,1233 2.91,1234 3.041,1235 3.085,1236 2.866,1237 2.779,1238 4.368,1239 2.802,1240 2.854,1241 2.925,1242 2.707,1243 2.735,1244 4.262,1245 2.715,1246 0.153,1247 0.154,1248 0.245,1249 0.144,1250 0.114,1251 4.44,1252 0.133,1253 4.46,1254 0.132,1255 7.111,1256 0.402,1257 4.168,1258 0.098,1259 3.314,1260 3.846,1261 3.825,1262 11.657,1263 2.856,1264 1.888,1265 1.868,1266 2.068,1267 2.041,1268 1.426,1269 2.047,1270 1.846,1271 1.793,1272 1.977,1273 2.005,1274 1.044,1275 1.995,1276 1.797,1277 1.766,1278 1.892,1279 1.917,1280 0.959,1281 1.912,1282 1.298,1283 1.241,1284 1.591,1285 1.578,1286 0.825,1287 1.573,1288 1.153,1289 1.064,1290 1.513,1291 1.425,1292 0.763,1293 1.429,1294 1.075,1295 1.052,1296 1.183,1297 1.376,1298 0.306,1299 1.319,1300 0.934,1301 0.898,1302 1.181,1303 1.264,1304 0.22,1305 1.228,1306 0.886,1307 0.821,1308 1.148,1309 1.062,1310 0.218,1311 1.107,1312 4.078,1314 5.407,1316 6.915,1318 8.493,1320 10.104,1322 2.16,1324 37.569,1328 3.283,1330 10.743,1332 0.615,1333 1.677,1334 -4.441,1340 29.605,1341 81.153,1342 163.148,1343 199.064,1344 208.574,1345 212.574,1346 216.574,1347 62.365,1348 7.151,1349 51.66,1350 51.66,1351 18,1352 12.272,1353 3.807,1354 3,1355 47.492,1356 128,1357 114,1358 0.182,1359 179.525,1360 326.48,1361 429.801,1362 12621,1363 6.5,1364 19.441,1365 0.72,1366 0.544,1367 16.941,1368 14.7,1369 12.809,1370 0.442,1371 0.296,1372 8.4,1373 12.038,1374 8.275,1375 6.827,1376 11.597,1377 8.59,1378 12.439,1379 0.303,1380 0.158,1381 10.481,1382 6.494,1383 9.275,1384 0.193,1385 0.091,1386 8.339,1387 4.357,1388 7.012,1389 0.125,1390 0.048,1391 6.312,1392 2.661,1393 5.65,1394 0.081,1395 0.027,1396 5.386,1397 1.9,1398 0.298,1399 82.341,1400 0.231,1401 26.708,1402 0.468,1403 140,1404 646.83,1405 172.224,1406 529.65,1407 685.2,1408 490,1409 159,1410 480.464,1411 183.939,1412 458.542,1413 688.43,1414 429,1415 4.301}
{0 CHEMBL238994,1 1.839,2 13.148,3 3.123,4 9.754,5 89.756,6 8.69,7 0.414,8 3.921,9 4.01,10 3.584,11 3.37,12 5.157,13 3.415,14 4.485,15 4.62,16 4.037,17 3.728,18 6.184,19 3.766,20 4.715,21 4.898,22 3.974,23 3.814,24 5.971,25 3.828,26 4.743,27 4.949,28 3.846,29 3.648,30 6.152,31 3.674,32 4.434,33 4.63,34 3.652,35 3.513,36 5.744,37 3.531,38 4.278,39 4.416,40 3.624,41 3.539,42 5.783,43 3.509,44 4.34,45 4.548,46 3.455,47 3.547,48 5.458,49 3.459,50 4.301,51 4.528,52 3.487,53 3.357,54 5.548,55 3.335,56 0.295,57 0.816,58 6.697,59 4.216,60 43.887,61 4.29,62 1.15,63 1.577,64 15.688,65 6.716,66 162.912,67 7.33,68 0.996,69 1.344,70 23.018,71 8.409,72 106.218,73 9.849,74 1.521,75 1.294,76 28.274,77 7.776,78 177.951,79 8.723,80 0.975,81 0.981,82 19.468,83 5.977,84 118.539,85 6.84,86 0.912,87 0.833,88 12.991,89 5.697,90 88.455,91 6.655,92 0.636,93 0.919,94 15.971,95 6.88,96 64.691,97 8.91,98 0.6,99 0.946,100 16.798,101 6.198,102 62.421,103 7.919,104 27,105 41,106 0.321,107 0.65,108 0.754,109 0.791,110 0.807,111 0.823,112 3.339,113 0.856,114 -4.1,115 -4.04,116 -3.83,121 40.9,123 2,127 2,129 1,134 1,144 6,145 1,146 2,147 1,149 1,161 1,176 4,179 4,180 9,185 2,187 4,192 6,200 2,206 11,209 1,214 2,218 1,219 6,227 4,235 2,239 8,243 3,244 1,251 6,256 1,261 2,268 2,269 5,274 2,281 1108,282 17.574,283 17.574,284 17.574,285 17.574,286 17.574,287 16.035,288 23.625,289 10.21,290 18.269,291 14.301,292 14.301,293 14.301,294 14.301,295 14.301,296 11.951,297 27.981,298 4.883,299 15.537,300 3.62,301 1.737,302 1.142,303 0.926,304 0.835,305 0.744,306 4.017,310 1,311 1,312 1,313 749,314 3.742,318 308.938,325 2.228,326 52.586,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 63.5,338 355,339 4.44,340 4.46,341 7.111,342 4.168,343 3.314,344 3.846,345 3.825,346 11.657,347 2.856,348 4.115,349 3.787,350 6.058,351 3.789,352 2.859,353 3.655,354 2.208,355 8.721,356 2.647,357 3.948,358 3.074,359 5.613,360 3.617,361 2.689,362 3.204,363 0.86,364 7.773,365 2.503,366 3.763,367 2.743,368 5.331,369 3.371,370 2.447,371 3.068,372 0.655,373 6.931,374 2.232,375 3.422,376 2.623,377 5.033,378 3.204,379 2.253,380 2.648,381 0.13,382 6.075,383 2.121,384 3.278,385 2.325,386 4.954,387 2.947,388 2.018,389 2.33,391 5.825,392 1.86,393 2.901,394 2.121,395 4.556,396 2.472,397 1.565,398 2.013,400 4.607,401 1.379,402 2.514,403 1.909,404 4.022,405 2.216,406 1.258,407 1.5,409 3.314,410 1.183,411 2.5,412 1.077,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.5,421 1,422 3.414,423 1.984,424 1,425 1.45,427 2.275,428 0.983,429 2,430 1,431 3.414,432 1.959,433 1,434 1,436 2.275,437 0.956,438 1.549,439 0.912,440 3.049,441 1.178,442 0.272,443 0.328,445 0.685,446 0.243,447 1.128,448 0.51,449 2.75,450 0.764,451 -0.141,452 -0.155,454 -0.342,455 -0.126,456 0.842,457 0.51,458 2.56,459 0.651,460 -0.308,461 -0.365,463 -0.687,464 -0.287,465 0.69,466 0.465,467 2,468 0.26,469 -0.691,470 -0.884,472 -1.736,473 -0.643,474 11.99,475 0.444,476 0.863,477 0.032,478 32.5,479 1.204,480 14.5,481 0.537,482 18,483 0.667,484 20.82,485 0.771,486 31.21,487 0.709,488 26.668,489 0.988,490 6.637,491 0.246,492 6.172,493 0.229,494 0.127,495 0.042,496 0.284,498 3,501 0.699,502 1.075,503 0.633,504 1.195,505 0.648,506 0.981,507 0.52,508 0.772,509 0.721,510 1.053,511 0.414,512 1.013,513 0.864,514 0.906,515 0.88,516 1.114,517 0.634,518 1.043,519 1.255,520 0.773,521 1.149,522 0.807,523 1.15,524 0.895,525 1.029,526 0.714,527 0.957,528 0.702,529 1.041,530 0.755,531 0.399,532 0.633,533 0.94,534 1.048,535 0.483,536 1.219,537 0.352,538 0.74,539 0.799,540 1.16,541 0.382,542 1.227,543 0.648,544 1.053,545 0.66,546 1.198,547 0.553,548 1.031,549 7.5,550 0.165,551 3.333,552 1.5,553 1.387,554 0.806,555 0.402,556 0.441,557 0.279,558 0.18,559 9955,560 38800,561 2.005,562 38.6,564 11,566 1,567 1,570 4,572 1.692,573 1.851,574 3.648,575 -0.236,576 1,577 1,582 80.915,583 1.839,584 3.722,585 4.317,586 4.533,587 4.624,588 4.715,589 3.097,590 3.93,591 4.725,592 3.865,593 1356.66,594 8.154,595 18607.2,597 1,599 1,600 240.215,601 1.623,602 4.663,603 0.259,604 0.01,605 0.081,606 0.038,607 0.043,608 0.028,609 0.015,610 0.019,611 0.012,612 0.009,613 0.514,614 0.33,615 1,616 0.803,617 137.956,618 -0.073,619 -0.132,620 0.02,621 -0.094,622 -0.094,623 -0.02,624 0.334,625 0.248,626 0.098,627 -0.037,628 0.376,629 -0.082,630 -0.103,631 -0.18,632 0.027,633 -0.153,634 -0.002,635 -0.042,636 -0.189,637 0.068,638 -0.091,639 0.098,640 -0.139,641 0.059,642 -0.155,643 0.051,644 0.012,645 0.23,646 -0.163,647 0.226,648 0.303,649 0.13,650 -0.142,651 -0.034,652 0.147,653 -0.237,654 0.196,655 -0.058,656 0.08,657 -0.129,658 0.089,659 -0.114,660 0.069,661 -0.28,662 0.323,663 -0.199,664 0.113,665 0.07,666 5.705,667 5.052,668 0.667,669 29.819,670 1.046,671 1.15,672 2.868,673 8.223,674 0.648,675 3.401,676 3.738,677 3.892,678 4.043,679 4.263,680 4.263,681 4.29,682 4.369,683 4.394,684 4.443,685 7.72,686 0.654,687 382.37,688 3.401,689 4.949,690 5.765,691 6.629,692 7.461,693 8.322,694 9.159,695 10.019,696 10.858,697 11.718,698 4.5,705 1,708 1,715 7,716 1,720 4,722 12,737 1,739 1,741 44,743 13,744 1,745 29,747 46,748 18,749 11,750 2,751 4,756 3,757 3,763 1,767 3,769 1,770 3,772 12,773 6,777 1,782 1,786 1,789 1,790 1,791 3,793 17,794 9,795 1,796 9,802 2,808 1,809 4,811 1,822 1,829 3,857 1,859 3,866 3,868 27,875 1,876 4,878 2,880 1,881 1,882 1,892 3,893 9.1,894 1,896 1,898 2,901 14.583,902 7.695,903 5.778,904 2.561,907 2.236,908 1.313,909 0.922,910 5.878,911 9.387,912 3.611,913 4.143,914 4.57,915 5.022,916 5.534,917 5.624,918 5.914,919 6.228,920 6.497,921 6.823,922 0.889,923 39,924 10.441,926 4.933,927 0.026,929 8.46,931 18.05,933 14.583,936 2.96,937 79.917,940 1,941 188.338,942 108.194,943 19.91,945 89.828,946 44.88,948 108.194,949 278.166,950 64.79,952 12.405,953 99.541,954 53.702,955 89.6,956 11.577,957 176.567,958 7.76,959 188.338,960 128.104,961 134.708,964 141.253,965 139.109,966 42.683,968 29.212,969 82.107,970 16.786,972 233.218,973 109.738,974 108.194,977 196.097,978 34.53,979 69.029,981 151.494,982 188.338,983 154.618,984 108.194,986 0.594,987 0.321,988 0.15,989 0.084,990 19,991 9,992 0.087,993 4,995 1,996 3.959,997 214.148,999 18,1000 115.627,1005 19.463,1006 8.155,1007 5.344,1009 154.618,1010 8.757,1011 3.624,1015 -0.205,1017 42.683,1018 451.15,1019 36,1024 12.052,1028 -0.5,1031 46.003,1032 50.59,1034 0.337,1035 0.682,1036 0.791,1037 0.83,1038 0.847,1039 0.864,1040 4.868,1041 1.258,1042 5.79,1043 4.607,1044 4.419,1045 4.828,1046 3.45,1047 6.586,1048 4.256,1049 6.067,1050 1,1051 7.356,1052 3.314,1053 4.205,1054 4.635,1055 4.006,1056 7.695,1057 3.832,1058 7.37,1059 1,1060 9.03,1061 2.275,1062 6.066,1063 6.891,1064 5.561,1065 10.627,1066 5.706,1067 8.701,1068 1,1069 10.77,1070 2.275,1071 6.608,1072 7.398,1073 6.735,1074 12.552,1075 6.012,1076 10.061,1077 0.272,1078 12.556,1079 2.275,1080 8.018,1081 9.22,1082 8.102,1083 15.11,1084 7.414,1085 11.439,1086 -0.141,1087 14.376,1088 0.685,1089 8.893,1090 10.053,1091 9.406,1092 17.358,1093 8.059,1094 12.833,1095 -0.308,1096 16.221,1097 -0.342,1098 10.139,1099 11.676,1100 10.748,1101 19.823,1102 9.254,1103 3.314,1104 -0.691,1105 18.088,1106 -0.687,1107 11.171,1108 12.691,1109 12.081,1110 22.197,1111 10.074,1112 2.859,1113 11.657,1114 19.972,1115 -1.736,1116 12.359,1117 14.203,1118 13.421,1119 24.644,1120 11.173,1121 2.689,1122 8.721,1123 21.87,1124 3.846,1125 13.467,1126 15.33,1127 14.76,1128 27.066,1129 12.087,1130 2.447,1131 7.773,1132 23.78,1133 3.655,1134 14.64,1135 16.775,1136 16.101,1137 29.514,1138 13.142,1139 2.253,1140 6.931,1141 25.699,1142 3.204,1143 15.785,1144 17.974,1145 17.442,1146 31.955,1147 14.106,1148 2.018,1149 6.075,1150 27.626,1151 3.068,1152 16.958,1153 19.377,1154 18.783,1155 34.405,1156 15.143,1157 1.565,1158 5.825,1159 29.559,1160 2.648,1161 18.123,1162 20.623,1163 20.125,1164 36.854,1165 16.135,1166 9702,1167 19417,1168 18.781,1169 28.495,1170 44.066,1171 43.467,1172 44.077,1173 43.632,1174 43.349,1175 53.079,1176 15.356,1177 124.827,1178 39.922,1179 5.44,1180 6.46,1181 6.525,1182 5.269,1183 5.314,1184 6.846,1185 5.529,1186 18.535,1187 4.856,1188 15.658,1189 1.52,1190 1.499,1191 1.52,1192 1.505,1193 1.495,1194 1.83,1195 0.53,1196 4.304,1197 1.377,1198 3.965,1199 3.989,1200 3.924,1201 3.845,1202 8.513,1203 3.857,1204 3.863,1205 3.907,1206 3.812,1207 3.736,1208 7.999,1209 3.747,1210 3.814,1211 3.85,1212 3.719,1213 3.671,1214 7.999,1215 3.673,1216 3.358,1217 3.37,1218 3.354,1219 3.044,1220 7.433,1221 3.111,1222 3.287,1223 3.32,1224 3.264,1225 2.969,1226 6.449,1227 3.031,1228 3.111,1229 3.206,1230 2.866,1231 2.941,1232 5.003,1233 2.91,1234 2.933,1235 2.961,1236 2.85,1237 2.735,1238 4.767,1239 2.715,1240 2.854,1241 2.925,1242 2.687,1243 2.687,1244 4.344,1245 2.714,1246 0.153,1247 0.154,1248 0.245,1249 0.144,1250 0.114,1251 4.44,1252 0.133,1253 4.46,1254 0.132,1255 7.111,1256 0.402,1257 4.168,1258 0.098,1259 3.314,1260 3.846,1261 3.825,1262 11.657,1263 2.856,1264 1.886,1265 1.868,1266 2.016,1267 2.032,1268 1.362,1269 2.023,1270 1.811,1271 1.776,1272 1.974,1273 1.997,1274 1.044,1275 1.988,1276 1.788,1277 1.741,1278 1.892,1279 1.915,1280 0.959,1281 1.91,1282 1.164,1283 1.151,1284 1.513,1285 1.503,1286 0.825,1287 1.437,1288 1.153,1289 1.064,1290 1.337,1291 1.415,1292 0.536,1293 1.429,1294 1.06,1295 1.034,1296 1.181,1297 1.376,1298 0.22,1299 1.308,1300 0.886,1301 0.821,1302 1.16,1303 1.134,1304 0.218,1305 1.107,1306 0.817,1307 0.78,1308 1.026,1309 1.062,1310 0.061,1311 1.09,1312 4.078,1314 5.407,1316 6.915,1318 8.493,1320 10.104,1324 37.532,1327 9.452,1328 1.894,1330 10.634,1332 -0.385,1333 1.517,1334 -4.455,1340 28.793,1341 80.915,1342 163.77,1343 189.95,1344 199.46,1345 203.46,1346 207.46,1347 68.545,1348 7.151,1349 71.89,1350 71.89,1351 18,1352 12.272,1353 3.807,1354 3,1355 47.492,1356 128,1357 114,1358 0.182,1359 173.929,1360 317.97,1361 416.146,1362 12621,1363 6.8,1364 19.441,1365 0.72,1366 0.524,1367 16.941,1368 14.148,1369 12.809,1370 0.442,1371 0.285,1372 8.063,1373 11.967,1374 8.017,1375 6.543,1376 11.597,1377 8.271,1378 12.439,1379 0.303,1380 0.147,1381 10.481,1382 6.043,1383 9.275,1384 0.193,1385 0.084,1386 8.339,1387 4.038,1388 7.012,1389 0.125,1390 0.045,1391 6.312,1392 2.519,1393 5.65,1394 0.081,1395 0.025,1396 5.386,1397 1.728,1398 0.298,1399 82.919,1400 0.231,1401 26.708,1402 0.468,1403 140,1404 678.98,1405 174.327,1406 556.146,1407 714.56,1408 514,1409 159,1410 494.736,1411 185.6,1412 470.709,1413 706.55,1414 441,1415 4.301}
{0 CHEMBL239046,1 1.536,2 19.932,3 7.103,4 50.458,5 168.685,6 7.825,7 0.5,8 4.418,9 4.52,10 4.02,11 3.999,12 5.589,13 3.984,14 4.934,15 5.081,16 4.363,17 4.361,18 6.139,19 4.332,20 5.199,21 5.384,22 4.413,23 4.494,24 6.325,25 4.438,26 5.257,27 5.47,28 4.371,29 4.469,30 6.432,31 4.393,32 5.242,33 5.458,34 4.322,35 4.451,36 6.376,37 4.37,38 5.206,39 5.421,40 4.247,41 4.438,42 6.255,43 4.344,44 5.184,45 5.41,46 4.261,47 4.393,48 6.396,49 4.291,50 5.108,51 5.328,52 4.128,53 4.3,54 6.156,55 4.207,56 0.063,57 1.118,58 13.64,59 7.269,60 12.942,61 8.577,62 0.389,63 1.815,64 26.261,65 11.723,66 40.447,67 14.178,68 0.569,69 2.304,70 38.061,71 15.741,72 78.079,73 19.015,74 0.711,75 2.427,76 42.651,77 16.865,78 114.353,79 21.415,80 0.792,81 2.243,82 42.675,83 16.623,84 106.189,85 21.066,86 0.539,87 2.144,88 40.251,89 16.193,90 86.535,91 20.718,92 0.861,93 2.115,94 40.243,95 16.061,96 133.357,97 21.595,98 0.691,99 1.905,100 37.705,101 14.602,102 85.697,103 18.616,104 27,105 65,106 0.233,107 0.539,108 0.723,109 0.838,110 0.859,111 0.863,112 3.809,113 0.896,114 -6.9,115 -6.71,116 -6.21,121 47.4,122 1,127 5,137 3,138 1,144 15,145 5,146 4,160 2,176 21,179 1,180 10,183 1,185 1,187 25,192 13,195 1,197 1,200 18,206 12,211 1,214 12,218 2,219 12,224 4,227 16,232 5,237 2,239 18,243 1,244 7,249 2,251 19,255 2,256 7,259 1,261 1,264 17,269 3,274 1,277 14,281 5118,282 29.85,283 29.85,284 29.85,285 29.85,286 29.85,287 26.354,288 30.594,289 17.896,290 30.378,291 23.702,292 23.702,293 23.702,294 23.702,295 23.702,296 18.294,297 35.278,298 8.559,299 24.518,300 4.712,301 2.701,302 1.485,303 0.73,304 0.589,305 0.563,306 4.513,313 1886,314 4.528,318 810.68,322 241.984,325 3.617,326 53.775,329 0.5,330 0.5,331 0.5,332 0.4,333 0.5,334 0.5,335 0.5,336 0.49,337 96,338 877,339 4.478,340 3.726,341 6.536,342 4.1,343 3.118,344 4.089,345 1.674,346 10.314,347 3.061,348 4.182,349 3.456,350 6.089,351 3.76,352 2.783,353 3.838,354 1.058,355 8.871,356 2.719,357 4.148,358 3.112,359 5.667,360 3.744,361 2.775,362 3.754,363 0.995,364 7.93,365 2.687,366 3.953,367 3.08,368 5.662,369 3.653,370 2.685,371 3.458,372 0.86,373 7.924,374 2.6,375 3.839,376 3.016,377 5.354,378 3.446,379 2.455,380 3.28,381 0.359,382 6.991,383 2.434,384 3.746,385 2.735,386 5.265,387 3.377,388 2.379,389 3.023,391 6.7,392 2.359,393 3.548,394 2.654,395 5.059,396 3.194,397 2.259,398 2.84,400 6.157,401 2.101,402 3.349,403 2.592,404 5.024,405 3.03,406 2.07,407 2.557,409 5.776,410 1.971,411 3.325,412 2.51,413 4.822,414 2.939,415 1.971,416 2.518,418 5.478,419 1.889,420 3.232,421 2.209,422 4.815,423 2.828,424 1.879,425 2.481,427 5.319,428 1.793,429 3.186,430 2.191,431 4.618,432 2.787,433 1.849,434 2.308,436 4.963,437 1.678,438 2.996,439 1.822,440 4.514,441 2.561,442 1.58,443 2.15,445 4.536,446 1.543,447 2.818,448 1.707,449 3.667,450 2.407,451 1.414,452 1.925,454 3.022,455 1.403,456 2.55,457 1.513,458 3.601,459 2.359,460 1.405,461 1.526,463 3.001,464 1.328,465 2.5,466 1.171,467 3.582,468 2,469 1,470 1.5,472 2.321,473 1,474 20.705,475 0.471,476 0.988,477 0.022,478 58.25,479 1.324,480 31,481 0.705,482 27.25,483 0.619,484 37.584,485 0.854,486 46.495,487 0.612,488 52.026,489 1.182,490 12.136,491 0.276,492 9.22,493 0.21,494 0.084,496 0.309,499 2,501 0.629,502 1.01,503 0.715,504 1.026,505 0.536,506 0.919,507 0.756,508 0.971,509 0.859,510 0.997,511 0.538,512 0.955,513 1.024,514 1.006,515 1.031,516 1.04,517 0.905,518 1.034,519 0.818,520 0.916,521 0.931,522 1.032,523 0.704,524 1.015,525 0.875,526 0.864,527 0.967,528 0.96,529 0.885,530 0.978,531 0.828,532 0.864,533 1.011,534 1.029,535 0.842,536 1.056,537 0.436,538 0.793,539 0.827,540 1.019,541 0.369,542 1.022,543 0.884,544 0.791,545 1.005,546 0.948,547 0.838,548 0.998,549 9.5,550 0.227,551 3.556,552 2.688,553 2.484,554 1.056,555 1.073,556 0.531,557 0.393,558 0.386,559 42528,560 122564,561 2.084,562 42.1,564 28,567 1,569 3,572 1.816,573 1.97,574 4.232,575 -0.445,582 116.725,583 1.536,584 3.547,585 4.763,586 5.518,587 5.659,588 5.685,589 3.737,590 5.05,591 5.425,592 4.487,593 4244.94,594 9.576,595 88757.5,600 474.842,601 1.325,602 5.399,603 0.198,604 0.005,605 0.055,606 0.041,607 0.041,608 0.018,609 0.02,610 0.01,611 0.008,612 0.008,613 0.403,614 0.17,615 0.5,616 0.605,617 264.881,618 -0.02,619 -0.056,620 0.04,621 -0.025,622 -0.038,623 0.012,624 0.029,625 -0.02,626 -0.004,627 -0.026,628 0.072,629 -0.02,630 -0.086,631 -0.028,632 -0.091,633 -0.058,634 -0.069,635 -0.07,636 0.044,637 -0.041,638 0.041,639 -0.055,640 0.105,641 -0.02,642 0.017,643 0.008,644 0.015,645 0.018,646 0.001,647 0.019,648 -0.064,649 -0.041,650 -0.058,651 -0.051,652 -0.077,653 -0.051,654 0.278,655 0.02,656 0.139,657 -0.034,658 0.279,659 0.003,660 -0.01,661 0.031,662 -0.019,663 0.027,664 -0.065,665 0.004,666 2.383,667 5.794,668 0.636,669 82.089,670 1.009,671 1.12,672 5.673,673 32.186,674 0.683,675 3.892,676 4.19,677 4.407,678 4.654,679 4.883,680 4.92,681 5.05,682 5.165,683 5.293,684 5.342,685 11.654,686 0.659,687 594.7,688 3.892,689 5.425,690 6.252,691 7.112,692 7.954,693 8.819,694 9.669,695 10.537,696 11.393,697 12.264,698 2.6,701 1,705 1,715 15,720 9,722 24,739 1,740 2,741 76,743 28,744 4,745 48,747 80,748 36,749 24,750 9,751 15,752 6,756 5,757 6,763 1,772 30,773 6,777 4,782 2,784 3,786 3,791 2,793 32,794 8,795 1,796 8,802 2,808 0.8,809 4,829 5,833 1,843 1,846 1,849 3,850 1,855 1,859 4,864 1,866 2,868 44,876 5,877 1,878 2,881 1,892 2,893 5.3,896 2,898 2,901 22.333,902 13.902,903 9.75,904 4.594,907 4.957,908 1.56,909 0.992,910 10.344,911 13.814,912 4.174,913 4.736,914 5.263,915 5.794,916 6.342,917 6.517,918 6.878,919 7.21,920 7.577,921 7.799,922 1,923 66,924 16.359,926 7.003,927 0.026,929 7.932,931 30.684,933 24.814,936 2.432,937 107,941 364.904,942 252.151,943 21.135,945 72.29,946 29.92,948 252.151,949 437.194,950 51.055,951 8.825,952 31.026,953 170.572,954 62.186,955 72.966,956 29.92,957 364.904,959 364.904,960 273.286,961 102.21,964 359.511,965 107.603,968 42.975,969 201.882,970 28.429,972 394.824,973 93.425,974 252.151,977 364.904,978 72.754,979 182.522,980 18.011,981 102.21,982 364.904,983 123.345,984 252.151,986 0.574,987 0.323,988 0.174,989 0.097,990 28,991 13,992 0.15,993 12,994 1,995 1.071,996 5.549,997 421.649,998 0.071,999 28,1000 226.215,1005 30.872,1006 14.743,1007 8.736,1009 123.345,1010 26.47,1015 3.682,1017 18.011,1018 740.4,1019 64,1024 24.848,1026 4.319,1028 -0.391,1031 76.676,1032 85.157,1034 0.246,1035 0.568,1036 0.762,1037 0.883,1038 0.906,1039 0.91,1040 5.398,1041 2.07,1042 6.217,1043 6.157,1044 4.875,1045 5.425,1046 2.516,1047 6.967,1048 4.813,1049 6.59,1050 1.971,1051 7.734,1052 5.776,1053 4.369,1054 5.103,1055 0.325,1056 7.703,1057 4.271,1058 7.876,1059 1.879,1060 9.344,1061 5.478,1062 6.415,1063 7.547,1064 3.081,1065 10.773,1066 6.302,1067 9.192,1068 1.849,1069 11.007,1070 5.319,1071 6.686,1072 7.99,1073 0.504,1074 12.322,1075 6.545,1076 10.536,1077 1.58,1078 12.705,1079 4.963,1080 8.195,1081 9.917,1082 3.91,1083 14.904,1084 8.041,1085 11.899,1086 1.414,1087 14.429,1088 4.536,1089 8.854,1090 10.747,1091 0.585,1092 16.841,1093 8.675,1094 13.278,1095 1.405,1096 16.172,1097 3.022,1098 10.126,1099 12.428,1100 4.863,1101 19.242,1102 9.934,1103 3.118,1104 1,1105 17.93,1106 3.001,1107 10.993,1108 13.481,1109 0.622,1110 21.373,1111 10.778,1112 2.783,1113 10.314,1114 19.703,1115 2.321,1116 12.158,1117 15.028,1118 5.865,1119 23.709,1120 11.929,1121 2.775,1122 8.871,1123 21.487,1124 4.089,1125 13.136,1126 16.212,1127 0.639,1128 25.935,1129 12.885,1130 2.685,1131 7.93,1132 23.281,1133 3.838,1134 14.257,1135 17.684,1136 6.885,1137 28.252,1138 13.991,1139 2.455,1140 7.924,1141 25.084,1142 3.754,1143 15.294,1144 18.947,1145 0.646,1146 30.525,1147 15.008,1148 2.379,1149 6.991,1150 26.895,1151 3.458,1152 16.4,1153 20.378,1154 7.912,1155 32.839,1156 16.098,1157 2.259,1158 6.7,1159 28.713,1160 3.28,1161 17.47,1162 21.689,1163 0.648,1164 35.137,1165 17.149,1166 39989,1167 68362,1168 32.304,1169 51.887,1170 71.225,1171 73.013,1172 71.555,1173 70.274,1174 70.119,1175 92.016,1176 9.892,1177 193.976,1178 67.836,1179 5.384,1180 5.726,1181 6.338,1182 5.195,1183 5.118,1184 7.089,1185 3.349,1186 17.155,1187 5.061,1188 21.852,1189 1.484,1190 1.521,1191 1.491,1192 1.464,1193 1.461,1194 1.917,1195 0.206,1196 4.041,1197 1.413,1198 4.053,1199 4.072,1200 4.009,1201 3.981,1202 8.211,1203 3.984,1204 3.942,1205 3.964,1206 3.904,1207 3.868,1208 8.191,1209 3.871,1210 3.923,1211 3.954,1212 3.855,1213 3.85,1214 7.434,1215 3.846,1216 3.861,1217 3.885,1218 3.798,1219 3.801,1220 7.429,1221 3.798,1222 3.668,1223 3.716,1224 3.591,1225 3.47,1226 4.912,1227 3.489,1228 3.594,1229 3.66,1230 3.492,1231 3.428,1232 4.762,1233 3.434,1234 3.465,1235 3.485,1236 3.374,1237 3.307,1238 4.712,1239 3.313,1240 3.351,1241 3.397,1242 3.228,1243 3.207,1244 4.581,1245 3.202,1246 0.093,1247 0.078,1248 0.136,1249 0.085,1250 0.065,1251 4.478,1252 0.085,1253 3.726,1254 0.035,1255 6.536,1256 0.215,1257 4.1,1258 0.064,1259 3.118,1260 4.089,1261 1.674,1262 10.314,1263 3.061,1264 1.994,1265 1.98,1266 2.086,1267 2.081,1268 1.264,1269 2.081,1270 1.918,1271 1.888,1272 2.04,1273 2.021,1274 1.171,1275 2.027,1276 1.905,1277 1.885,1278 1.991,1279 2.002,1280 1.095,1281 1.998,1282 1.858,1283 1.837,1284 1.965,1285 1.945,1286 1.08,1287 1.955,1288 1.593,1289 1.544,1290 1.836,1291 1.827,1292 1.015,1293 1.819,1294 1.569,1295 1.505,1296 1.785,1297 1.773,1298 0.981,1299 1.791,1300 1.413,1301 1.384,1302 1.577,1303 1.595,1304 0.737,1305 1.582,1306 1.34,1307 1.29,1308 1.551,1309 1.504,1310 0.606,1311 1.519,1312 4.575,1314 5.878,1316 7.365,1318 8.939,1320 10.561,1322 2.143,1324 26.589,1328 2.963,1329 2.658,1330 11.363,1333 2.355,1340 50.097,1341 116.725,1342 269.565,1343 361.974,1344 419.333,1345 430.088,1346 432.088,1347 107.09,1348 8.857,1349 71.78,1350 71.78,1351 30,1352 12.81,1353 4.858,1354 4.087,1355 74.588,1356 305,1357 284,1358 0.113,1359 304.259,1360 553.02,1361 734.153,1362 122761,1363 2.6,1364 30.89,1365 0.702,1366 0.551,1367 29.15,1368 24.264,1369 21.356,1370 0.445,1371 0.299,1372 14.152,1373 20.55,1374 13.848,1375 11.471,1376 20.568,1377 14.344,1378 19.093,1379 0.294,1380 0.159,1381 17.813,1382 10.309,1383 15.264,1384 0.188,1385 0.087,1386 14.713,1387 7.053,1388 12.763,1389 0.123,1390 0.046,1391 11.89,1392 4.807,1393 10.331,1394 0.079,1395 0.025,1396 10.05,1397 3.297,1398 0.188,1399 133.812,1400 0.176,1401 40.278,1402 0.284,1403 226,1404 787.142,1405 249.753,1406 705.394,1407 938.22,1408 658,1409 259,1410 666.469,1411 280.334,1412 663.545,1413 964.19,1414 624,1415 5.145}
{0 CHEMBL239207,1 1.86,2 10.095,3 4.077,4 16.622,5 79.668,6 9.915,7 0.545,8 3.618,9 3.696,10 3.415,11 3.155,12 4.869,13 3.166,14 4.09,15 4.224,16 3.804,17 3.474,18 5.412,19 3.475,20 4.237,21 4.341,22 3.894,23 3.526,24 5.595,25 3.521,26 4.254,27 4.421,28 3.758,29 3.386,30 5.537,31 3.362,32 3.918,33 4.045,34 3.555,35 3.334,36 5.26,37 3.304,38 4.022,39 4.174,40 3.417,41 3.417,42 5.198,43 3.315,44 4.078,45 4.314,46 3.253,47 3.262,48 5.139,49 3.096,50 3.741,51 3.98,52 3.148,53 2.811,54 4.838,55 2.732,56 0.138,57 0.436,58 3.338,59 2.74,60 5.54,61 2.852,62 0.473,63 0.645,64 9.767,65 4.299,66 20.845,67 4.68,68 0.543,69 0.651,70 15.16,71 5.614,72 29.714,73 5.398,74 0.788,75 0.63,76 21.393,77 5.824,78 69.032,79 5.135,80 0.406,81 0.55,82 9.136,83 3.829,84 26.348,85 4.031,86 0.302,87 0.597,88 10.111,89 4.725,90 20.882,91 5.299,92 0.464,93 0.559,94 17.328,95 5.83,96 31.203,97 7.774,98 0.357,99 0.363,100 15.683,101 4.127,102 28.017,103 5.157,104 29,105 30,106 0.347,107 0.644,108 0.709,109 0.752,110 0.775,111 0.797,112 3.102,113 0.913,114 -4.04,115 -3.99,116 -3.78,121 42.4,126 2,144 5,146 4,147 1,149 1,161 1,176 2,179 4,180 4,187 4,192 9,200 2,206 6,214 1,218 1,219 7,227 4,239 4,243 3,251 2,256 2,264 2,268 2,281 556,282 13.585,283 13.585,284 13.585,285 13.585,286 13.585,287 11.902,288 15.817,289 7.969,290 14.233,291 10.818,292 10.818,293 10.818,294 10.818,295 10.818,296 8.303,297 16.576,298 3.799,299 11.984,300 3.184,301 1.595,302 1.246,303 1.015,304 0.894,305 0.773,306 3.758,308 2,310 1,311 1,312 1,313 432,314 3.24,318 150.892,325 1.719,326 25.006,328 1,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 46.667,338 212,339 4.259,340 3.762,341 6.094,342 3.79,343 2.896,344 3.902,345 2.208,346 8.877,347 2.596,348 4.062,349 3.335,350 5.819,351 3.672,352 2.749,353 3.631,354 0.86,355 7.929,356 2.478,357 3.817,358 2.896,359 5.418,360 3.445,361 2.501,362 3.065,363 0.655,364 7.016,365 2.335,366 3.496,367 2.713,368 5.099,369 3.067,370 2.173,371 2.796,372 0.13,373 6.162,374 1.928,375 3.314,376 2.499,377 4.902,378 2.852,379 1.97,380 2.574,382 5.591,383 1.646,384 2.822,385 1.982,386 4.128,387 2.284,388 1.419,389 1.951,391 3.655,392 1.171,393 2.5,394 1.855,395 3.527,396 2.006,397 1.06,398 1.5,400 2.421,401 1,402 2.319,403 1,404 3.414,405 2,406 1,407 1.22,409 2.275,410 0.983,411 1.691,412 0.961,413 3.03,414 1.273,415 0.427,416 0.516,418 1.023,419 0.335,420 1.298,421 0.716,422 2.425,423 0.84,424 -0.048,425 -0.061,427 -0.113,428 -0.039,429 0.806,430 0.256,431 2.359,432 0.322,433 -0.513,434 -0.621,436 -1.242,437 -0.293,438 0.758,439 0.136,440 2.16,441 0.254,442 -0.577,443 -0.721,445 -1.523,446 -0.473,447 0.5,448 -0.404,449 2,451 -1,452 -1,454 -2,455 -0.857,456 0.364,457 -0.6,458 1.591,459 -0.1,460 -1,461 -1.304,463 -2.493,464 -0.9,465 0.032,466 -0.798,467 1.392,468 -0.102,469 -1,470 -1.5,472 -3,473 -1,474 10.229,475 0.487,476 0.634,477 0.03,478 28.5,479 1.357,480 14.5,481 0.69,482 14,483 0.667,484 14.122,485 0.672,486 22.771,487 0.69,488 19.892,489 0.947,490 5.913,491 0.282,492 4.039,493 0.192,494 0.27,496 0.332,501 0.772,502 1.501,503 0.507,504 1.001,505 0.628,506 0.881,507 0.761,508 0.802,509 0.579,510 0.613,511 0.529,512 0.633,513 1.208,514 1.275,515 1.043,516 1.321,517 0.922,518 1.159,519 1.776,520 0.686,521 0.727,522 0.456,523 1.858,524 0.622,525 0.744,526 1.021,527 0.781,528 0.883,529 1.065,530 0.921,531 0.802,532 1.217,533 1.024,534 1.213,535 1.035,536 1.349,537 0.36,538 0.915,539 0.806,540 1.017,541 0.413,542 1.114,543 0.757,544 0.926,545 0.836,546 0.962,547 0.556,548 0.775,549 5.5,550 0.112,551 2.444,552 1.063,553 1.316,554 0.465,555 0.424,556 0.319,557 0.099,558 0.161,559 4342,560 17811,561 1.941,562 36.4,564 11,566 1,572 1.625,573 1.775,574 3.305,575 -0.657,577 1,582 61.388,583 1.86,584 3.45,585 3.798,586 4.029,587 4.15,588 4.271,589 2.784,590 3.975,591 4.362,592 3.472,593 729.076,594 7.441,595 8006.95,597 1,598 1,599 1,600 166.465,601 1.545,602 4.294,603 0.25,604 0.009,605 0.081,606 0.037,607 0.057,608 0.02,609 0.022,610 0.023,611 0.008,612 0.015,613 0.523,614 0.5,615 1,616 1.33,617 96.785,618 -0.071,619 -0.364,620 0.013,621 -0.164,622 -0.099,623 -0.076,624 0.152,625 0.317,626 0.121,627 0.256,628 0.173,629 0.225,630 -0.084,631 -0.316,632 -0.11,633 -0.371,634 -0.018,635 -0.275,636 -0.401,637 0.205,638 0.155,639 0.51,640 -0.335,641 0.331,642 0.077,643 0.067,644 -0.049,645 0.008,646 -0.022,647 -0.043,648 -0.134,649 -0.19,650 -0.235,651 -0.283,652 -0.23,653 -0.396,654 0.343,655 -0.044,656 0.143,657 0.005,658 0.212,659 0.038,660 0.194,661 -0.109,662 0.328,663 0.102,664 0.252,665 0.395,666 2.119,667 4.397,668 0.571,669 18.594,670 1.034,671 1.121,672 2.812,673 7.908,674 0.717,675 3.135,676 3.434,677 3.584,678 3.714,679 3.932,680 3.829,681 3.871,682 3.989,683 3.932,684 3.932,685 6.007,686 0.697,687 327.18,688 3.135,689 4.654,690 5.46,691 6.304,692 7.13,693 7.973,694 8.807,695 9.65,696 10.487,697 11.33,698 6.1,705 1,708 1,715 6,716 1,720 5,722 12,737 1,739 1,740 2,741 33,743 13,744 1,745 22,747 34,748 14,749 11,750 2,751 4,756 2,757 2,758 2,772 12,773 2,777 1,782 1,786 1,790 1,793 12,794 5,796 7,797 2,802 2,808 1,809 3,822 1,829 2,859 2,864 2,865 2,868 21,878 2,881 1,892 2,893 9.1,896 1,898 2,901 11.833,902 6.686,903 4.639,904 1.714,907 2.311,908 1.364,909 0.933,910 5.28,911 8.657,912 3.401,913 3.97,914 4.425,915 4.888,916 5.427,917 5.435,918 5.694,919 6.092,920 6.321,921 6.597,922 0.857,923 29,924 7.664,926 3.115,927 0.026,929 8.034,931 14.022,933 10.55,936 2.534,937 53.222,941 141.253,942 102.287,943 19.91,944 78.297,945 47.145,948 102.287,949 266.695,950 19.91,951 16.793,952 3.124,953 47.381,954 53.702,955 48.535,956 11.577,957 129.482,958 78.297,959 141.253,960 122.196,961 47.145,962 78.297,964 141.253,965 47.145,968 12.172,969 93.239,970 95.083,972 141.253,973 67.055,974 180.584,977 141.253,978 29.065,979 76.346,981 142.228,982 141.253,983 67.055,984 180.584,986 0.586,987 0.323,988 0.147,989 0.085,990 13,991 7,992 0.118,993 4,995 1,996 3.323,997 147.146,999 12,1000 86.239,1005 15.887,1006 6.98,1007 4.491,1009 67.055,1010 9.492,1011 3.989,1015 1.913,1018 388.892,1019 29,1024 11.397,1028 -0.453,1031 34.135,1032 37.004,1034 0.369,1035 0.684,1036 0.753,1037 0.799,1038 0.823,1039 0.847,1040 4.615,1041 1,1042 5.451,1043 2.421,1044 4.111,1045 4.654,1046 2.456,1047 6.188,1048 3.908,1049 5.822,1050 0.427,1051 6.98,1052 2.275,1053 3.761,1054 4.46,1055 1.847,1056 6.94,1057 3.377,1058 7.114,1059 -0.048,1060 8.6,1061 1.023,1062 5.652,1063 6.778,1064 3.559,1065 9.929,1066 5.263,1067 8.434,1068 -0.513,1069 10.266,1070 -0.113,1071 6.019,1072 7.281,1073 3.656,1074 11.404,1075 5.437,1076 9.778,1077 -0.577,1078 11.962,1079 -1.242,1080 7.434,1081 9.143,1082 4.961,1083 13.918,1084 6.854,1085 11.137,1086 -1,1087 13.675,1088 -1.523,1089 8.128,1090 9.983,1091 5.37,1092 15.723,1093 7.359,1094 12.509,1095 -1,1096 15.402,1097 -2,1098 9.341,1099 11.632,1100 6.459,1101 18.043,1102 8.558,1103 2.896,1104 -1,1105 17.139,1106 -2.493,1107 10.201,1108 12.664,1109 7.028,1110 20.017,1111 9.24,1112 2.749,1113 8.877,1114 18.884,1115 -3,1116 11.319,1117 14.194,1118 7.994,1119 22.251,1120 10.323,1121 2.501,1122 7.929,1123 20.635,1124 3.902,1125 12.265,1126 15.344,1127 8.654,1128 24.315,1129 11.105,1130 2.173,1131 7.016,1132 22.392,1133 3.631,1134 13.341,1135 16.803,1136 9.549,1137 26.511,1138 12.125,1139 1.97,1140 6.162,1141 24.153,1142 3.065,1143 14.332,1144 18.027,1145 10.263,1146 28.623,1147 12.967,1148 1.419,1149 5.591,1150 25.919,1151 2.796,1152 15.388,1153 19.443,1154 11.116,1155 30.802,1156 13.95,1157 1.06,1158 3.655,1159 27.688,1160 2.574,1161 16.404,1162 20.713,1163 11.862,1164 32.942,1165 14.828,1166 4451,1167 9166,1168 13.929,1169 23.659,1170 32.833,1171 34.2,1172 33.772,1173 32.658,1174 32.387,1175 42.312,1176 7.706,1177 89.897,1178 28.946,1179 5.089,1180 5.762,1181 5.508,1182 4.883,1183 4.896,1184 6.902,1185 3.912,1186 15.195,1187 4.596,1188 12.978,1189 1.492,1190 1.555,1191 1.535,1192 1.484,1193 1.472,1194 1.923,1195 0.35,1196 4.086,1197 1.316,1198 3.945,1199 3.959,1200 4.084,1201 3.842,1202 7.433,1203 3.85,1204 3.813,1205 3.835,1206 3.842,1207 3.733,1208 5.131,1209 3.731,1210 3.611,1211 3.678,1212 3.589,1213 3.331,1214 4.848,1215 3.365,1216 3.098,1217 3.098,1218 3.518,1219 2.893,1220 4.639,1221 2.907,1222 2.918,1223 3.009,1224 3.086,1225 2.751,1226 4.46,1227 2.755,1228 2.874,1229 2.925,1230 2.905,1231 2.735,1232 4.255,1233 2.715,1234 2.854,1235 2.914,1236 2.687,1237 2.618,1238 4.107,1239 2.578,1240 2.788,1241 2.836,1242 2.649,1243 2.542,1244 3.754,1245 2.57,1246 0.194,1247 0.171,1248 0.277,1249 0.172,1250 0.132,1251 4.259,1252 0.177,1253 3.762,1254 0.1,1255 6.094,1256 0.404,1257 3.79,1258 0.118,1259 2.896,1260 3.902,1261 2.208,1262 8.877,1263 2.596,1264 1.878,1265 1.862,1266 1.971,1267 2,1268 1.042,1269 1.988,1270 1.764,1271 1.745,1272 1.799,1273 1.88,1274 0.889,1275 1.871,1276 1.512,1277 1.437,1278 1.779,1279 1.798,1280 0.833,1281 1.796,1282 0.952,1283 0.951,1284 1.417,1285 1.258,1286 0.469,1287 1.308,1288 0.934,1289 0.821,1290 1.181,1291 1.239,1292 0.218,1293 1.193,1294 0.886,1295 0.804,1296 1.06,1297 1.062,1298 0.095,1299 1.107,1300 0.798,1301 0.789,1302 0.963,1303 1.013,1304 0.019,1305 0.984,1306 0.68,1307 0.641,1308 0.81,1309 0.937,1311 0.945,1312 3.807,1314 5.106,1316 6.583,1318 8.138,1320 9.729,1322 3.21,1323 11.727,1330 10.612,1333 1.335,1340 23.003,1341 61.388,1342 113.836,1343 125.346,1344 132.955,1345 136.955,1346 140.955,1347 36.178,1348 6.346,1349 51.66,1350 51.66,1351 12,1352 11.894,1353 3.807,1354 3,1355 39.593,1356 76,1357 64,1358 0.26,1359 152.028,1360 264.55,1361 362.708,1362 4100,1363 6.1,1364 15.405,1365 0.734,1366 0.612,1367 16.405,1368 12.851,1369 9.952,1370 0.452,1371 0.304,1372 5.873,1373 8.877,1374 5.611,1375 4.701,1376 10.53,1377 6.692,1378 9.235,1379 0.308,1380 0.171,1381 10.014,1382 5.12,1383 7.055,1384 0.202,1385 0.082,1386 7.67,1387 2.86,1388 5.007,1389 0.125,1390 0.044,1391 5.688,1392 1.775,1393 4.131,1394 0.083,1395 0.022,1396 4.537,1397 1.088,1398 0.415,1399 69.474,1400 0.268,1401 21.198,1402 0.693,1403 104,1404 406.904,1405 149.579,1406 441.792,1407 569.79,1408 408,1409 117,1410 367.485,1411 154.063,1412 387.155,1413 560.21,1414 359,1415 4.301}
{0 CHEMBL239418,1 1.753,2 12.308,3 5.654,4 31.963,5 99.445,6 9.731,7 0.643,8 3.81,9 3.886,10 3.599,11 3.408,12 5.051,13 3.409,14 4.27,15 4.381,16 3.984,17 3.742,18 5.575,19 3.729,20 4.477,21 4.606,22 4.077,23 3.803,24 5.752,25 3.786,26 4.445,27 4.59,28 3.991,29 3.699,30 5.739,31 3.673,32 4.374,33 4.538,34 3.818,35 3.654,36 5.679,37 3.623,38 4.328,39 4.491,40 3.682,41 3.672,42 5.524,43 3.594,44 4.272,45 4.467,46 3.567,47 3.598,48 5.391,49 3.476,50 4.12,51 4.324,52 3.48,53 3.39,54 5.206,55 3.293,56 0.108,57 0.509,58 4.151,59 3.217,60 5.718,61 3.405,62 0.414,63 0.796,64 9.487,65 5.167,66 20.001,67 5.61,68 0.547,69 0.898,70 19.216,71 7.067,72 35.751,73 7.097,74 0.608,75 0.875,76 19.86,77 6.894,78 46.864,79 6.268,80 0.589,81 0.844,82 16.968,83 6.441,84 46.671,85 6.676,86 0.411,87 0.798,88 15.764,89 6.42,90 40.059,91 6.872,92 0.454,93 0.737,94 17.395,95 6.742,96 35.803,97 8.483,98 0.326,99 0.627,100 16.72,101 5.909,102 25.342,103 7.336,104 17,105 38,106 0.307,107 0.565,108 0.685,109 0.795,110 0.825,111 0.843,112 3.303,113 0.898,114 -4.98,115 -4.88,116 -4.58,121 47.5,126 1,144 10,146 5,147 1,149 1,161 1,176 6,179 4,180 6,187 8,192 11,200 4,206 11,214 1,218 1,219 11,227 4,232 2,239 8,243 3,251 10,256 2,264 8,268 2,269 2,277 2,281 992,282 17.361,283 17.361,284 17.361,285 17.361,286 17.361,287 14.952,288 18.98,289 10.324,290 18.003,291 13.795,292 13.795,293 13.795,294 13.795,295 13.795,296 10.278,297 22.612,298 4.933,299 14.97,300 3.569,301 2.101,302 1.418,303 0.788,304 0.619,305 0.519,306 3.984,308 2,312 1,313 680,314 3.317,318 293.833,325 2.053,326 27.528,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 56.667,338 320,339 4.261,340 3.801,341 6.339,342 3.888,343 2.952,344 3.902,345 2.208,346 9.428,347 2.758,348 4.191,349 3.335,350 6.094,351 3.782,352 2.89,353 3.659,354 0.86,355 8.876,356 2.566,357 3.997,358 2.906,359 5.511,360 3.548,361 2.601,362 3.57,363 0.655,364 7.408,365 2.413,366 3.632,367 2.777,368 5.23,369 3.204,370 2.279,371 2.962,372 0.13,373 6.593,374 2.107,375 3.459,376 2.653,377 4.949,378 2.986,379 2.071,380 2.767,382 5.691,383 1.883,384 3.296,385 2.466,386 4.864,387 2.835,388 1.918,389 2.56,391 5.331,392 1.645,393 2.879,394 1.858,395 4.128,396 2.408,397 1.439,398 2.006,400 3.654,401 1.392,402 2.819,403 1.73,404 3.773,405 2.28,406 1.393,407 1.946,409 3.138,410 1.17,411 2.5,412 1.048,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.5,421 1,422 3.29,423 2,424 1,425 1.5,427 2.136,428 1,429 1.949,430 1,431 3.247,432 1.622,433 0.68,434 0.81,436 1.653,437 0.631,438 1.687,439 0.947,440 3.029,441 1.265,442 0.414,443 0.502,445 0.989,446 0.326,447 1.297,448 0.707,449 2.537,450 0.837,451 -0.056,452 -0.071,454 -0.13,455 -0.046,456 0.806,457 0.256,458 2.359,459 0.322,460 -0.513,461 -0.621,463 -1.242,464 -0.293,465 0.759,466 0.13,467 2.202,468 0.254,469 -0.578,470 -0.723,472 -1.523,473 -0.474,474 12.729,475 0.49,476 0.647,477 0.025,478 38,479 1.462,480 21,481 0.808,482 17,483 0.654,484 17.372,485 0.668,486 26.871,487 0.672,488 27.405,489 1.054,490 7.773,491 0.299,492 4.752,493 0.183,494 0.178,496 0.306,501 0.739,502 1.298,503 0.509,504 0.923,505 0.618,506 0.824,507 0.699,508 1.025,509 0.618,510 0.816,511 0.543,512 0.823,513 1.157,514 1.159,515 0.982,516 1.157,517 0.874,518 1.034,519 1.547,520 1.051,521 0.75,522 0.842,523 1.501,524 0.921,525 1.081,526 0.909,527 0.749,528 0.833,529 1.502,530 0.867,531 1.104,532 0.971,533 0.964,534 0.985,535 1.45,536 1.085,537 0.512,538 0.86,539 0.857,540 0.976,541 0.63,542 1.08,543 0.621,544 1.041,545 0.842,546 1.11,547 0.535,548 1.046,549 5.5,550 0.12,551 2.889,552 1.625,553 1.507,554 0.646,555 0.524,556 0.292,557 0.156,558 0.184,559 8770,560 31482,561 2.037,562 35,564 13,566 1,572 1.684,573 1.902,574 3.572,575 -0.722,582 70.109,583 1.753,584 3.221,585 3.904,586 4.534,587 4.703,588 4.803,589 3.09,590 4.21,591 4.673,592 3.745,593 1217,594 8.059,595 15941.3,600 212.877,601 1.42,602 4.628,603 0.196,604 0.007,605 0.076,606 0.043,607 0.047,608 0.021,609 0.019,610 0.013,611 0.008,612 0.011,613 0.441,614 0.33,615 1,616 0.596,617 130.144,618 -0.049,619 -0.244,620 0.015,621 -0.11,622 -0.094,623 -0.042,624 0.193,625 0.053,626 0.054,627 0.039,628 0.14,629 0.004,630 -0.044,631 -0.172,632 -0.051,633 -0.216,634 0.005,635 -0.13,636 -0.263,637 -0.07,638 0.073,639 0.101,640 -0.162,641 -0.007,642 -0.011,643 0.1,644 0.028,645 0.103,646 -0.065,647 0.082,648 -0.197,649 0.002,650 -0.137,651 -0.032,652 -0.253,653 -0.112,654 0.236,655 0.055,656 0.043,657 0.037,658 0.104,659 0.007,660 0.162,661 -0.137,662 0.142,663 -0.078,664 0.135,665 0.066,666 2.16,667 5.198,668 0.692,669 26,670 1.025,671 1.11,672 3.749,673 14.052,674 0.736,675 3.367,676 3.664,677 3.871,678 4.043,679 4.234,680 4.127,681 4.19,682 4.277,683 4.29,684 4.369,685 7.167,686 0.713,687 389.25,688 3.367,689 4.89,690 5.714,691 6.564,692 7.401,693 8.251,694 9.092,695 9.942,696 10.786,697 11.636,698 5,705 1,708 1,715 11,716 1,720 6,722 18,737 1,739 1,740 2,741 40,743 19,744 2,745 28,747 42,748 19,749 17,750 3,751 9,756 3,757 3,758 2,772 18,773 1,777 1,782 1,786 1,793 14,794 5,796 7,797 2,802 2,808 1,809 3,822 1,829 3,859 3,864 1,865 2,868 26,878 2,881 1,892 2,893 7.5,896 1,898 2,901 13.667,902 7.602,903 5.75,904 2.176,907 3.056,908 1.437,909 0.969,910 5.986,911 10.045,912 3.664,913 4.241,914 4.738,915 5.236,916 5.747,917 5.699,918 5.97,919 6.326,920 6.57,921 6.919,922 1,923 38,924 9.522,926 3.957,927 0.026,929 7.919,931 17.625,933 13.693,936 2.419,937 62.889,941 164.795,942 144.028,943 19.91,944 78.297,945 47.145,948 144.028,949 290.237,950 19.91,951 8.396,952 3.124,953 94.762,954 53.702,955 51.292,956 11.577,957 153.024,958 78.297,959 164.795,960 163.938,961 47.145,962 78.297,964 164.795,965 47.145,968 12.172,969 134.981,970 95.083,972 164.795,973 67.055,974 222.325,977 164.795,978 31.822,979 115.331,981 142.228,982 164.795,983 67.055,984 222.325,986 0.58,987 0.333,988 0.168,989 0.091,990 17,991 8,992 0.119,993 5,995 1,996 3.88,997 204.296,999 18,1000 114.211,1005 18.516,1006 8.405,1007 4.891,1009 67.055,1010 18.744,1011 4.023,1015 2.591,1018 454.175,1019 38,1024 12.198,1028 -0.493,1031 41.018,1032 44.419,1034 0.329,1035 0.605,1036 0.734,1037 0.852,1038 0.884,1039 0.903,1040 4.871,1041 1.393,1042 5.687,1043 3.654,1044 4.344,1045 4.927,1046 2.456,1047 6.438,1048 4.181,1049 6.07,1050 1,1051 7.216,1052 3.138,1053 3.892,1054 4.605,1055 1.847,1056 7.204,1057 3.546,1058 7.357,1059 1,1060 8.841,1061 2.275,1062 5.889,1063 7.053,1064 3.559,1065 10.256,1066 5.567,1067 8.674,1068 0.68,1069 10.52,1070 2.136,1071 6.217,1072 7.466,1073 3.656,1074 11.808,1075 5.706,1076 10.017,1077 0.414,1078 12.235,1079 1.653,1080 7.691,1081 9.413,1082 4.961,1083 14.371,1084 7.204,1085 11.378,1086 -0.056,1087 13.973,1088 0.989,1089 8.385,1090 10.188,1091 5.37,1092 16.266,1093 7.724,1094 12.753,1095 -0.513,1096 15.728,1097 -0.13,1098 9.635,1099 11.892,1100 6.459,1101 18.639,1102 8.976,1103 2.952,1104 -0.578,1105 17.497,1106 -1.242,1107 10.513,1108 12.875,1109 7.028,1110 20.698,1111 9.701,1112 2.89,1113 9.428,1114 19.277,1115 -1.523,1116 11.66,1117 14.44,1118 7.994,1119 22.989,1120 10.827,1121 2.601,1122 8.876,1123 21.064,1124 3.902,1125 12.632,1126 15.552,1127 8.654,1128 25.131,1129 11.668,1130 2.279,1131 7.408,1132 22.859,1133 3.659,1134 13.732,1135 17.031,1136 9.549,1137 27.386,1138 12.728,1139 2.071,1140 6.593,1141 24.66,1142 3.57,1143 14.751,1144 18.226,1145 10.263,1146 29.568,1147 13.634,1148 1.918,1149 5.691,1150 26.466,1151 2.962,1152 15.831,1153 19.652,1154 11.116,1155 31.807,1156 14.661,1157 1.439,1158 5.331,1159 28.276,1160 2.767,1161 16.874,1162 20.9,1163 11.862,1164 34.011,1165 15.605,1166 8487,1167 16304,1168 18.493,1169 29.421,1170 41.77,1171 43.02,1172 42.59,1173 41.604,1174 41.274,1175 55.372,1176 7.706,1177 114.341,1178 37.783,1179 5.132,1180 5.801,1181 6.141,1182 4.991,1183 4.952,1184 6.902,1185 3.912,1186 16.152,1187 4.758,1188 13.197,1189 1.492,1190 1.536,1191 1.521,1192 1.486,1193 1.474,1194 1.978,1195 0.275,1196 4.084,1197 1.349,1198 3.963,1199 3.984,1200 4.085,1201 3.861,1202 7.433,1203 3.867,1204 3.893,1205 3.92,1206 3.879,1207 3.812,1208 5.131,1209 3.811,1210 3.807,1211 3.829,1212 3.803,1213 3.732,1214 4.851,1215 3.73,1216 3.465,1217 3.509,1218 3.586,1219 3.201,1220 4.755,1221 3.241,1222 3.073,1223 3.087,1224 3.4,1225 2.889,1226 4.637,1227 2.897,1228 2.914,1229 2.925,1230 3.074,1231 2.745,1232 4.452,1233 2.746,1234 2.854,1235 2.925,1236 2.873,1237 2.735,1238 4.201,1239 2.715,1240 2.854,1241 2.924,1242 2.687,1243 2.735,1244 4.005,1245 2.715,1246 0.152,1247 0.136,1248 0.226,1249 0.139,1250 0.105,1251 4.261,1252 0.139,1253 3.801,1254 0.079,1255 6.339,1256 0.337,1257 3.888,1258 0.099,1259 2.952,1260 3.902,1261 2.208,1262 9.428,1263 2.758,1264 1.899,1265 1.873,1266 2.017,1267 2.019,1268 1.083,1269 2.015,1270 1.871,1271 1.85,1272 1.968,1273 1.977,1274 1.04,1275 1.976,1276 1.763,1277 1.744,1278 1.797,1279 1.867,1280 0.889,1281 1.866,1282 1.362,1283 1.304,1284 1.635,1285 1.638,1286 0.682,1287 1.632,1288 0.951,1289 0.941,1290 1.181,1291 1.255,1292 0.218,1293 1.21,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 0.886,1301 0.821,1302 1.117,1303 1.062,1304 0.169,1305 1.107,1306 0.816,1307 0.79,1308 1.026,1309 1.035,1310 0.092,1311 1.025,1312 4.043,1314 5.342,1316 6.832,1318 8.4,1320 10.006,1322 1.642,1323 11.83,1330 10.936,1333 1.418,1340 28.53,1341 70.109,1342 128.849,1343 156.148,1344 181.367,1345 188.122,1346 192.122,1347 43.066,1348 6.989,1349 51.66,1350 51.66,1351 18,1352 12.195,1353 4.322,1354 3.459,1355 44.704,1356 114,1357 100,1358 0.192,1359 183.814,1360 319.87,1361 440.266,1362 10260,1363 5,1364 18.518,1365 0.712,1366 0.586,1367 19.518,1368 15.238,1369 12.525,1370 0.447,1371 0.299,1372 7.567,1373 11.461,1374 7.322,1375 6.089,1376 13.102,1377 8.379,1378 11.248,1379 0.296,1380 0.161,1381 12.027,1382 6.12,1383 9.208,1384 0.196,1385 0.083,1386 9.823,1387 3.912,1388 7.074,1389 0.126,1390 0.045,1391 7.755,1392 2.509,1393 5.64,1394 0.083,1395 0.022,1396 6.046,1397 1.52,1398 0.311,1399 84.787,1400 0.233,1401 25.701,1402 0.501,1403 132,1404 466.904,1405 178.245,1406 504.138,1407 663.26,1408 468,1409 151,1410 443.541,1411 188.729,1412 463.626,1413 674.36,1414 434,1415 4.301}
{0 CHEMBL239633,1 1.744,2 14,3 5.349,4 28.609,5 103.953,6 8.817,7 0.545,8 3.985,9 4.072,10 3.681,11 3.521,12 5.212,13 3.549,14 4.53,15 4.657,16 4.127,17 3.887,18 6.205,19 3.908,20 4.729,21 4.889,22 4.089,23 3.99,24 5.964,25 3.986,26 4.808,27 4.998,28 3.974,29 3.866,30 6.172,31 3.863,32 4.603,33 4.809,34 3.801,35 3.742,36 5.849,37 3.724,38 4.454,39 4.628,40 3.728,41 3.689,42 5.785,43 3.651,44 4.424,45 4.624,46 3.61,47 3.655,48 5.594,49 3.59,50 4.332,51 4.533,52 3.614,53 3.531,54 5.586,55 3.511,56 0.201,57 0.857,58 6.397,59 4.454,60 28.239,61 4.483,62 1.052,63 1.72,64 14.884,65 7.24,66 141.101,67 7.56,68 0.664,69 1.526,70 19.86,71 9.347,72 58.472,73 10.284,74 1.23,75 1.61,76 26.643,77 9.453,78 138.237,79 9.808,80 0.849,81 1.223,82 21.938,83 7.877,84 96.792,85 9.112,86 0.832,87 0.984,88 16.75,89 6.95,90 72.148,91 8.132,92 0.619,93 1.002,94 17.39,95 7.451,96 62.662,97 9.242,98 0.48,99 1.056,100 15.858,101 6.757,102 49.668,103 7.99,104 18,105 47,106 0.295,107 0.579,108 0.722,109 0.812,110 0.851,111 0.873,112 3.44,113 0.839,114 -5.52,115 -5.39,116 -5.03,121 46.8,123 1,127 2,134 1,144 10,145 3,146 2,147 1,149 1,161 1,176 11,179 4,180 9,187 11,192 8,200 7,206 13,214 3,218 1,219 11,227 4,232 4,239 8,243 3,244 3,251 10,256 1,264 8,268 2,269 5,277 6,281 1500,282 19.936,283 19.936,284 19.936,285 19.936,286 19.936,287 17.645,288 23.836,289 11.619,290 20.582,291 16.306,292 16.306,293 16.306,294 16.306,295 16.306,296 12.857,297 27.123,298 5.554,299 17.453,300 3.811,301 2.134,302 1.292,303 0.756,304 0.527,305 0.399,306 4.136,311 1,312 1,313 913,314 3.808,318 401.701,322 157.452,325 2.333,326 47.465,329 0.75,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.84,337 68.5,338 420,339 4.44,340 4.46,341 7.111,342 4.168,343 3.314,344 3.846,345 3.825,346 11.657,347 2.904,348 4.255,349 3.798,350 6.255,351 3.953,352 2.985,353 3.82,354 2.209,355 9.439,356 2.856,357 4.095,358 3.112,359 5.931,360 3.685,361 2.742,362 3.653,363 0.86,364 8.325,365 2.572,366 3.896,367 3.067,368 5.611,369 3.536,370 2.607,371 3.196,372 0.796,373 7.755,374 2.412,375 3.735,376 2.678,377 5.317,378 3.313,379 2.375,380 3.038,381 0.247,382 6.861,383 2.188,384 3.367,385 2.329,386 4.982,387 2.965,388 2.037,389 2.626,391 5.936,392 1.875,393 2.939,394 2.157,395 4.557,396 2.614,397 1.618,398 2.109,400 4.61,401 1.612,402 2.915,403 1.91,404 4.439,405 2.496,406 1.57,407 2.046,409 4.407,410 1.476,411 2.896,412 1.896,413 4.063,414 2.456,415 1.48,416 2.011,418 3.484,419 1.376,420 2.517,421 1.451,422 3.602,423 2.177,424 1.204,425 1.5,427 2.879,428 1.156,429 2.5,430 1,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.5,439 1,440 3.414,441 1.959,442 1,443 1.458,445 2.275,446 0.956,447 1.87,448 0.912,449 3.165,450 1.636,451 0.653,452 0.771,454 1.531,455 0.64,456 1.548,457 0.778,458 3.046,459 1.171,460 0.261,461 0.318,463 0.661,464 0.234,465 1.128,466 0.51,467 2.766,468 0.727,469 -0.195,470 -0.239,472 -0.497,473 -0.177,474 13.657,475 0.455,476 0.877,477 0.029,478 40.25,479 1.342,480 20.5,481 0.683,482 19.75,483 0.658,484 21.678,485 0.723,486 32.543,487 0.692,488 32.478,489 1.083,490 8.311,491 0.277,492 6.07,493 0.202,494 0.087,495 0.037,496 0.286,498 3,501 0.623,502 0.981,503 0.595,504 1.074,505 0.573,506 0.907,507 0.464,508 0.709,509 0.709,510 0.946,511 0.356,512 0.943,513 0.782,514 0.94,515 0.885,516 1.173,517 0.544,518 1.115,519 1.22,520 0.845,521 1.215,522 0.967,523 1.104,524 1.057,525 0.879,526 0.73,527 0.945,528 0.845,529 0.891,530 0.891,531 0.513,532 0.583,533 0.9,534 0.96,535 0.552,536 1.063,537 0.488,538 0.657,539 0.813,540 0.986,541 0.5,542 1.052,543 0.751,544 0.978,545 0.743,546 1.059,547 0.65,548 0.965,549 7.5,550 0.169,551 3.556,552 1.563,553 1.72,554 0.833,555 0.485,556 0.512,557 0.246,558 0.197,559 14071,560 49431,561 2.079,562 36.2,564 14,566 1,569 2,572 1.719,573 1.946,574 3.74,575 -0.726,582 81.962,583 1.744,584 3.421,585 4.262,586 4.799,587 5.028,588 5.156,589 3.273,590 4.14,591 4.878,592 3.966,593 1725.03,594 8.46,595 25633.3,600 261.066,601 1.524,602 4.832,603 0.227,604 0.008,605 0.076,606 0.034,607 0.045,608 0.025,609 0.016,610 0.018,611 0.009,612 0.008,613 0.465,614 0.33,615 0.88,616 0.715,617 158.66,618 -0.035,619 -0.106,620 0.04,621 -0.087,622 -0.076,623 -0.02,624 0.399,625 0.289,626 0.093,627 0.016,628 0.425,629 -0.058,630 -0.063,631 -0.188,632 -0.02,633 -0.212,634 0.024,635 -0.136,636 -0.163,637 0.032,638 -0.186,639 -0.023,640 -0.109,641 -0.093,642 -0.068,643 0.005,644 0.051,645 0.094,646 -0.077,647 0.126,648 0.195,649 0.084,650 0.005,651 -0.01,652 0.081,653 -0.061,654 0.145,655 -0.02,656 0.135,658 0.062,659 0.031,660 0.009,661 -0.185,662 0.237,663 -0.061,664 0.062,665 0.105,666 5.701,667 5.437,668 0.733,669 34.4,670 1.036,671 1.136,672 4.288,673 18.389,674 0.682,675 3.526,676 3.871,677 4.078,678 4.277,679 4.522,680 4.543,681 4.644,682 4.727,683 4.787,684 4.779,685 8.279,686 0.683,687 414.41,688 3.526,689 5.081,690 5.916,691 6.79,692 7.639,693 8.511,694 9.364,695 10.234,696 11.09,697 11.96,698 4.3,705 1,708 1,715 11,716 1,720 6,722 18,737 1,739 1,741 47,743 19,744 2,745 33,747 50,748 22,749 17,750 4,751 8,756 4,757 5,763 1,767 1,769 1,770 1,772 18,773 4,777 1,782 1,786 1,791 3,793 17,794 8,796 8,802 2,808 0.75,809 3,822 1,829 4,833 1,859 3,866 3,868 30,876 3,878 2,881 1,882 1,892 3,893 6.4,896 1,898 2,901 15.417,902 8.495,903 6.389,904 2.724,907 3.26,908 1.418,909 0.997,910 5.648,911 11.049,912 3.784,913 4.363,914 4.854,915 5.345,916 5.875,917 5.941,918 6.241,919 6.548,920 6.835,921 7.09,922 1,923 46,924 11.528,926 5.406,927 0.026,929 8.247,931 20.336,933 16.609,936 2.747,937 82.417,941 200.109,942 149.936,943 19.91,945 47.145,946 44.88,948 149.936,949 247.253,950 64.79,952 9.87,953 94.762,954 53.702,955 95.971,956 11.577,957 188.338,958 7.76,959 200.109,960 169.846,961 92.025,964 176.567,965 115.567,968 26.677,969 126.383,970 16.786,972 244.989,973 67.055,974 149.936,977 207.868,978 38.367,979 106.934,981 108.811,982 200.109,983 111.935,984 149.936,986 0.593,987 0.33,988 0.164,989 0.091,990 23,991 10,992 0.08,993 4,994 1,995 1.091,996 4.276,997 256.678,998 0.091,999 22,1000 138.452,1005 20.243,1006 8.37,1007 4.942,1009 111.935,1010 16.931,1011 3.657,1015 2.214,1018 461.98,1019 43,1024 12.437,1028 -0.442,1031 48.676,1032 53.381,1034 0.314,1035 0.616,1036 0.767,1037 0.864,1038 0.905,1039 0.928,1040 5.034,1041 1.57,1042 5.932,1043 4.61,1044 4.554,1045 5.05,1046 3.467,1047 6.744,1048 4.423,1049 6.246,1050 1.48,1051 7.502,1052 4.407,1053 4.29,1054 4.82,1055 4.006,1056 7.832,1057 3.977,1058 7.555,1059 1.204,1060 9.179,1061 3.484,1062 6.205,1063 7.172,1064 5.563,1065 10.803,1066 5.915,1067 8.894,1068 1,1069 10.923,1070 2.879,1071 6.723,1072 7.666,1073 6.736,1074 12.703,1075 6.235,1076 10.262,1077 1,1078 12.711,1079 2.275,1080 8.16,1081 9.544,1082 8.102,1083 15.268,1084 7.676,1085 11.649,1086 0.653,1087 14.53,1088 2.275,1089 9.024,1090 10.383,1091 9.406,1092 17.489,1093 8.357,1094 13.051,1095 0.261,1096 16.374,1097 1.531,1098 10.281,1099 12.037,1100 10.748,1101 19.946,1102 9.581,1103 3.314,1104 -0.195,1105 18.236,1106 0.661,1107 11.306,1108 13.067,1109 12.081,1110 22.298,1111 10.443,1112 2.985,1113 11.657,1114 20.114,1115 -0.497,1116 12.497,1117 14.596,1118 13.421,1119 24.733,1120 11.568,1121 2.742,1122 9.439,1123 22.004,1124 3.846,1125 13.598,1126 15.739,1127 14.76,1128 27.139,1129 12.521,1130 2.607,1131 8.325,1132 23.905,1133 3.82,1134 14.768,1135 17.194,1136 16.101,1137 29.575,1138 13.601,1139 2.375,1140 7.755,1141 25.815,1142 3.653,1143 15.906,1144 18.408,1145 17.442,1146 32.005,1147 14.601,1148 2.037,1149 6.861,1150 27.732,1151 3.196,1152 17.074,1153 19.818,1154 18.783,1155 34.447,1156 15.662,1157 1.618,1158 5.936,1159 29.656,1160 3.038,1161 18.232,1162 21.076,1163 20.125,1164 36.888,1165 16.686,1166 13257,1167 25183,1168 21.959,1169 32.04,1170 50.459,1171 50.014,1172 50.052,1173 49.955,1174 49.688,1175 63.784,1176 15.876,1177 144.189,1178 46.51,1179 5.385,1180 6.46,1181 6.798,1182 5.272,1183 5.314,1184 6.846,1185 5.529,1186 18.535,1187 4.904,1188 14.959,1189 1.529,1190 1.516,1191 1.517,1192 1.514,1193 1.506,1194 1.933,1195 0.481,1196 4.369,1197 1.409,1198 4.011,1199 4.043,1200 3.953,1201 3.928,1202 8.513,1203 3.926,1204 3.936,1205 3.961,1206 3.892,1207 3.833,1208 7.999,1209 3.842,1210 3.837,1211 3.863,1212 3.795,1213 3.736,1214 7.999,1215 3.745,1216 3.545,1217 3.59,1218 3.478,1219 3.348,1220 7.433,1221 3.364,1222 3.316,1223 3.351,1224 3.333,1225 3.024,1226 5.004,1227 3.072,1228 3.204,1229 3.247,1230 3.096,1231 2.982,1232 4.772,1233 3.005,1234 3.038,1235 3.074,1236 2.902,1237 2.836,1238 4.734,1239 2.863,1240 2.854,1241 2.925,1242 2.765,1243 2.735,1244 4.332,1245 2.715,1246 0.135,1247 0.135,1248 0.215,1249 0.126,1250 0.1,1251 4.44,1252 0.117,1253 4.46,1254 0.116,1255 7.111,1256 0.353,1257 4.168,1258 0.088,1259 3.314,1260 3.846,1261 3.825,1262 11.657,1263 2.904,1264 1.975,1265 1.945,1266 2.097,1267 2.08,1268 1.34,1269 2.086,1270 1.883,1271 1.865,1272 1.977,1273 2.013,1274 1.044,1275 1.998,1276 1.799,1277 1.772,1278 1.892,1279 1.922,1280 0.959,1281 1.913,1282 1.486,1283 1.43,1284 1.7,1285 1.694,1286 0.87,1287 1.692,1288 1.164,1289 1.117,1290 1.437,1291 1.436,1292 0.677,1293 1.406,1294 1.074,1295 1.047,1296 1.181,1297 1.384,1298 0.247,1299 1.314,1300 0.944,1301 0.927,1302 1.165,1303 1.218,1304 0.219,1305 1.184,1306 0.886,1307 0.821,1308 1.1,1309 1.062,1310 0.218,1311 1.107,1312 4.205,1314 5.541,1316 7.066,1318 8.667,1320 10.305,1324 37.731,1328 1.852,1330 10.85,1333 1.638,1334 -4.451,1340 32.078,1341 81.962,1342 160.773,1343 200.337,1344 225.556,1345 236.311,1346 242.311,1347 60.205,1348 7.789,1349 51.66,1350 51.66,1351 24,1352 12.506,1353 4.322,1354 3.459,1355 47.553,1356 152,1357 122,1358 0.151,1359 192.126,1360 347.2,1361 460.548,1362 29693,1363 6.4,1364 21.14,1365 0.705,1366 0.524,1367 18.64,1368 15.725,1369 14.381,1370 0.436,1371 0.28,1372 9.04,1373 13.614,1374 8.937,1375 7.326,1376 13.17,1377 9.231,1378 13.797,1379 0.294,1380 0.144,1381 11.839,1382 6.765,1383 10.795,1384 0.186,1385 0.081,1386 9.859,1387 4.704,1388 8.583,1389 0.121,1390 0.044,1391 7.884,1392 3.122,1393 7.095,1394 0.078,1395 0.024,1396 6.831,1397 2.178,1398 0.248,1399 91.776,1400 0.213,1401 29.163,1402 0.387,1403 160,1404 700.83,1405 192.224,1406 586.155,1407 767.96,1408 544,1409 185,1410 544.464,1411 210.106,1412 525.833,1413 787.88,1414 493,1415 4.301}
{0 CHEMBL240792,1 1.542,2 9.417,3 3.839,4 14.739,5 91.542,6 7.009,7 0.231,8 3.932,9 4.058,10 3.446,11 3.451,12 4.989,13 3.415,14 4.529,15 4.715,16 3.827,17 3.883,18 5.627,19 3.819,20 4.827,21 5.069,22 3.878,23 3.987,24 5.842,25 3.901,26 4.851,27 5.098,28 3.785,29 3.913,30 5.927,31 3.838,32 4.691,33 4.908,34 3.693,35 3.877,36 5.743,37 3.793,38 4.737,39 4.972,40 3.667,41 3.95,42 5.661,43 3.828,44 4.831,45 5.088,46 3.571,47 3.957,48 5.745,49 3.794,50 4.767,51 5.048,52 3.406,53 3.834,54 5.617,55 3.644,56 0.109,57 0.69,58 10.372,59 4.468,60 8.757,61 6.181,62 0.254,63 1.143,64 20.125,65 7.714,66 47.628,67 11.066,68 0.27,69 1.382,70 28.637,71 9.267,72 46.937,73 14.079,74 0.489,75 1.318,76 30.629,77 8.446,78 78.245,79 12.783,80 0.365,81 1.179,82 25.237,83 8.18,84 61.283,85 11.716,86 0.287,87 1.253,88 25.995,89 9.429,90 47.148,91 13.54,92 0.41,93 1.273,94 29.348,95 10.643,96 64.788,97 15.37,98 0.289,99 1.16,100 27.637,101 10.138,102 45.06,103 14.883,104 23,105 37,106 0.265,107 0.538,108 0.701,109 0.8,110 0.8,111 0.8,112 3.229,113 1.003,114 -4.8,115 -4.71,116 -4.43,121 38.3,122 1,123 7,127 1,132 1,144 4,145 1,146 1,160 2,168 2,176 10,179 3,180 7,187 9,191 1,192 16,200 3,206 16,214 3,219 9,227 9,231 1,232 5,239 15,243 2,244 1,251 17,255 2,256 1,264 10,268 4,269 5,277 2,281 874,282 16.137,283 16.137,284 16.137,285 16.137,286 16.137,287 14.835,288 18.091,289 9.521,290 16.322,291 12.747,292 12.747,293 12.747,294 12.747,295 12.747,296 10.679,297 21.855,298 4.401,299 13.049,300 4.013,301 2.43,302 1.485,303 0.91,304 0.91,305 0.91,306 3.905,310 1,311 1,312 1,313 476,314 3.536,317 137.56,318 80.081,325 1.368,326 31.003,327 1,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 52.5,338 226,339 4.716,340 4.199,341 7.718,342 4.567,343 3.593,344 3.966,345 2.612,346 14.285,347 3.497,348 4.255,349 3.778,350 6.217,351 3.776,352 2.802,353 3.92,354 2.021,355 9.141,356 2.731,357 3.836,358 3.061,359 5.926,360 3.582,361 2.632,362 3.24,363 1.358,364 8.207,365 2.499,366 3.632,367 2.849,368 5.284,369 3.247,370 2.266,371 2.778,372 0.69,373 6.696,374 2.218,375 3.184,376 2.637,377 5.125,378 2.816,379 1.821,380 2.256,381 0.239,382 5.35,383 1.803,384 2.928,385 1.993,386 4.037,387 2.396,388 1.401,389 2.018,391 3.113,392 1.391,393 2.5,394 1.592,395 3.779,396 2.326,397 1.342,398 1.5,400 2.885,401 1.316,402 2.475,403 1.465,404 3.633,405 2.23,406 1.234,407 1.451,409 2.632,410 1.227,411 2.395,412 1.238,413 3.618,414 2,415 1,416 1.384,418 2.275,419 1,420 1.872,421 1,422 3.414,423 1.618,424 0.618,425 0.63,427 1.464,428 0.618,429 1.618,430 1,431 3.183,432 1.544,433 0.528,434 0.618,436 1.26,437 0.531,438 1.348,439 0.618,440 2.941,441 1.157,442 0.175,443 0.195,445 0.308,446 0.172,447 1.114,448 0.48,449 2.711,450 0.724,451 -0.268,452 -0.337,454 -0.682,455 -0.265,456 1,457 0.279,458 2.325,459 0.348,460 -0.623,461 -0.667,463 -1.412,464 -0.602,465 0.5,466 -0.368,467 2,469 -1,470 -1.143,472 -2,473 -0.979,474 11.2,475 0.467,476 0.618,477 0.026,478 27.25,479 1.135,480 12,481 0.5,482 15.25,483 0.635,484 22.433,485 0.935,486 27.2,487 0.579,488 19.04,489 0.793,490 4.702,491 0.196,492 6.853,493 0.286,494 0.134,495 0.045,496 0.25,501 0.389,502 1.356,503 0.797,504 1.181,505 0.458,506 1.083,507 0.432,508 1.258,509 0.817,510 1.144,511 0.372,512 1.061,513 0.705,514 1.194,515 0.867,516 1.087,517 0.558,518 1.005,519 1.374,520 0.916,521 1.077,522 0.841,523 1.216,524 0.88,525 1.27,526 0.998,527 1.14,528 0.977,529 1.172,530 1.023,531 0.775,532 0.979,533 1.056,534 1.092,535 0.683,536 1.114,537 0.697,538 0.979,539 1.013,540 1.085,541 0.8,542 1.115,543 0.461,544 1.021,545 0.899,546 1.152,547 0.555,548 1.123,549 5.5,550 0.092,551 3.333,552 2.236,553 1.392,554 0.921,555 0.451,556 0.256,557 0.291,558 0.202,559 5854,560 15661,561 2.03,562 48.9,563 11,564 6,568 2,569 4,572 1.673,573 1.882,574 3.189,575 -0.74,577 1,582 72.455,583 1.542,584 3.124,585 4.07,586 4.645,587 4.645,588 4.645,589 2.657,590 4.168,591 4.551,592 3.368,593 929.669,594 7.877,595 10815.8,597 1,599 1,600 261.066,601 1.601,602 4.498,603 0.212,604 0.009,605 0.09,606 0.06,607 0.042,608 0.03,609 0.015,610 0.01,611 0.014,612 0.013,613 0.494,614 0.17,615 1,616 1.303,617 113.192,618 0.207,619 -0.065,620 0.067,621 -0.002,622 0.035,623 -0.005,624 0.221,625 -0.102,626 0.085,627 -0.053,628 0.187,629 -0.019,630 0.044,631 -0.149,632 0.08,633 -0.098,634 0.076,635 -0.013,636 -0.216,637 0.09,638 -0.062,639 0.075,640 -0.114,641 0.048,642 -0.218,643 0.045,644 -0.164,645 0.021,646 -0.119,647 -0.048,648 -0.063,649 0.06,650 -0.129,651 -0.059,652 -0.021,653 -0.096,654 0.039,655 -0.041,656 -0.075,657 -0.06,658 -0.036,659 -0.09,660 0.133,661 -0.124,662 0.029,663 -0.137,664 0.029,665 -0.088,666 2.41,667 5.986,668 0.625,669 20.604,670 1.003,671 1.134,672 3.571,673 12.753,674 0.638,675 3.296,676 3.638,677 3.932,678 4.19,679 4.369,680 4.466,681 4.533,682 4.585,683 4.595,684 4.564,685 5.691,686 0.606,687 329.44,688 3.296,689 4.844,690 5.707,691 6.605,692 7.498,693 8.408,694 9.314,695 10.231,696 11.144,697 12.065,698 6.4,705 1,707 1,709 1,715 4,720 2,722 6,735 1,741 47,743 10,744 1,745 26,747 49,748 18,749 6,750 2,751 4,756 3,757 3,763 1,767 4,768 1,770 7,772 8,773 10,774 1,777 4,779 1,782 3,785 1,786 2,790 1,793 23,794 5,796 6,802 3,804 1,808 0.667,809 3,828 2,829 1,844 1,859 2,864 1,868 24,876 8,881 1,882 1,893 6.4,896 1,899 2,901 12.75,902 8.683,903 5.375,904 3.326,907 1.622,908 1.236,909 0.933,910 4.887,911 8.511,912 3.526,913 4.052,914 4.525,915 4.965,916 5.372,917 5.565,918 5.753,919 5.921,920 6.295,921 6.383,922 1,923 37,924 8.965,926 3.896,927 0.026,929 7.913,931 17.186,933 14.531,936 2.413,937 57.917,940 1,941 270.735,942 79.553,943 25.58,945 75.892,948 79.553,949 346.627,950 25.58,951 14.495,952 22.972,953 37.905,954 32.177,955 22.728,957 270.735,958 50.747,959 270.735,960 105.132,961 75.892,964 223.651,965 72.229,966 50.747,968 48.582,969 50.88,970 5.67,972 270.735,973 101.472,974 79.553,977 270.735,978 32.822,979 55.525,981 92.677,982 270.735,983 101.472,984 79.553,986 0.579,987 0.345,988 0.181,989 0.099,990 18,991 8,992 0.122,993 6,995 1.067,996 3.535,997 195.411,999 16,1000 100.039,1005 16.944,1006 6.922,1007 3.337,1009 95.802,1010 6.43,1015 0.965,1018 451.76,1019 33,1021 -0.41,1024 34.527,1027 4.846,1028 1.006,1031 47.123,1032 53.275,1034 0.278,1035 0.562,1036 0.733,1037 0.836,1038 0.836,1039 0.836,1040 4.792,1041 1.234,1042 5.733,1043 2.885,1044 4.317,1045 4.736,1046 3.143,1047 6.635,1048 4.269,1049 5.997,1050 1,1051 7.358,1052 2.632,1053 4.111,1054 4.663,1055 2.795,1056 8.021,1057 4.02,1058 7.331,1059 0.618,1060 9.106,1061 2.275,1062 6.038,1063 6.851,1064 4.509,1065 11.113,1066 5.927,1067 8.707,1068 0.528,1069 10.934,1070 1.464,1071 6.711,1072 7.587,1073 4.787,1074 13.374,1075 6.563,1076 10.12,1077 0.175,1078 12.816,1079 1.26,1080 8.154,1081 9.287,1082 6.153,1083 16.117,1084 7.983,1085 11.558,1086 -0.268,1087 14.737,1088 0.308,1089 9.186,1090 10.354,1091 6.723,1092 18.656,1093 8.985,1094 13.016,1095 -0.623,1096 16.685,1097 -0.682,1098 10.488,1099 11.876,1100 7.917,1101 21.329,1102 10.262,1103 3.593,1104 -1,1105 18.655,1106 -1.412,1107 11.663,1108 13.091,1109 8.647,1110 23.951,1111 11.41,1112 2.802,1113 14.285,1114 20.642,1115 -2,1116 12.93,1117 14.537,1118 9.744,1119 26.611,1120 12.652,1121 2.632,1122 9.141,1123 22.641,1124 3.966,1125 14.162,1126 15.824,1127 10.568,1128 29.259,1129 13.858,1130 2.266,1131 8.207,1132 24.649,1133 3.92,1134 15.427,1135 17.234,1136 11.608,1137 31.917,1138 15.096,1139 1.821,1140 6.696,1141 26.666,1142 3.24,1143 16.683,1144 18.559,1145 12.488,1146 34.573,1147 16.326,1148 1.401,1149 5.35,1150 28.688,1151 2.778,1152 17.951,1153 19.95,1154 13.495,1155 37.231,1156 17.568,1157 1.342,1158 3.113,1159 30.714,1160 2.256,1161 19.218,1162 21.295,1163 14.407,1164 39.889,1165 18.808,1166 5836,1167 9734,1168 16.989,1169 29.995,1170 39.057,1171 40.48,1172 41.445,1173 38.887,1174 38.822,1175 47.909,1176 13.84,1177 115.23,1178 38.005,1179 5.697,1180 6.199,1181 7.578,1182 5.621,1183 5.593,1184 6.966,1185 4.612,1186 22.256,1187 5.497,1188 12.546,1189 1.502,1190 1.557,1191 1.594,1192 1.496,1193 1.493,1194 1.843,1195 0.532,1196 4.432,1197 1.462,1198 4.045,1199 4.084,1200 3.993,1201 3.915,1202 7.815,1203 3.924,1204 3.941,1205 3.975,1206 3.89,1207 3.813,1208 7.427,1209 3.818,1210 3.683,1211 3.75,1212 3.538,1213 3.552,1214 6.999,1215 3.534,1216 3.564,1217 3.614,1218 3.474,1219 3.311,1220 4.722,1221 3.33,1222 3.415,1223 3.461,1224 3.303,1225 3.093,1226 4.61,1227 3.15,1228 3.11,1229 3.188,1230 2.924,1231 2.887,1232 4.144,1233 2.886,1234 2.921,1235 2.989,1236 2.773,1237 2.735,1238 4.037,1239 2.715,1240 2.869,1241 2.979,1242 2.687,1243 2.671,1244 3.706,1245 2.678,1246 0.181,1247 0.162,1248 0.297,1249 0.176,1250 0.138,1251 4.716,1252 0.153,1253 4.199,1254 0.1,1255 7.718,1256 0.549,1257 4.567,1258 0.134,1259 3.593,1260 3.966,1261 2.612,1262 14.285,1263 3.497,1264 1.934,1265 1.907,1266 2.038,1267 2.09,1268 1.281,1269 2.06,1270 1.728,1271 1.667,1272 1.976,1273 1.904,1274 1.211,1275 1.927,1276 1.622,1277 1.583,1278 1.86,1279 1.804,1280 1.19,1281 1.793,1282 1.577,1283 1.507,1284 1.794,1285 1.751,1286 1.148,1287 1.79,1288 1.428,1289 1.366,1290 1.64,1291 1.725,1292 0.82,1293 1.688,1294 1.228,1295 1.174,1296 1.48,1297 1.556,1298 0.671,1299 1.525,1300 0.987,1301 0.922,1302 1.181,1303 1.319,1304 0.267,1305 1.324,1306 0.886,1307 0.821,1308 1.152,1309 1.062,1310 0.218,1311 1.107,1312 3.97,1314 5.303,1315 3.045,1316 6.834,1317 5.476,1318 8.458,1319 7.644,1320 10.137,1322 2.128,1328 7.141,1333 1.808,1334 -0.524,1340 28.477,1341 72.455,1342 146.845,1343 191.291,1344 218.311,1345 218.311,1346 218.311,1347 55.158,1348 6.889,1349 78.49,1350 78.49,1351 16,1352 12.575,1353 3.459,1354 3,1355 39.135,1356 78,1357 86,1358 0.242,1359 176.06,1360 315.51,1361 421.346,1362 7468,1364 17.156,1365 0.715,1366 0.585,1367 17.156,1368 14.033,1369 11.554,1370 0.444,1371 0.334,1372 8.598,1373 11.099,1374 8.41,1375 6.986,1376 11.554,1377 8.696,1378 10.389,1379 0.281,1380 0.181,1381 10.389,1382 6.685,1383 8.85,1384 0.177,1385 0.099,1386 8.85,1387 4.97,1388 7.115,1389 0.109,1390 0.055,1391 7.115,1392 3.604,1393 5.469,1394 0.07,1395 0.03,1396 5.469,1397 2.334,1398 0.372,1399 72.721,1400 0.243,1401 23.21,1402 0.687,1403 126,1404 378.142,1405 139.581,1406 360.577,1407 480.55,1408 332,1409 150,1410 355.339,1411 164.721,1412 351.476,1413 514.71,1414 330,1415 6.868}
{0 CHEMBL240793,1 1.511,2 9.593,3 3.042,4 9.256,5 100.851,6 7.067,7 0.2,8 4.04,9 4.161,10 3.568,11 3.58,12 5.056,13 3.549,14 4.655,15 4.841,16 3.985,17 4.024,18 5.636,19 3.968,20 4.954,21 5.189,22 4.076,23 4.128,24 6.003,25 4.062,26 4.962,27 5.185,28 3.985,29 4.045,30 6.165,31 3.988,32 4.844,33 5.05,34 3.811,35 3.975,36 5.96,37 3.891,38 4.865,39 5.108,40 3.798,41 4.035,42 5.775,43 3.919,44 4.97,45 5.237,46 3.904,47 4.032,48 6.109,49 3.924,50 4.858,51 5.115,52 3.752,53 3.98,54 5.835,55 3.868,57 0.766,58 11.229,59 4.966,60 5.654,61 6.747,62 0.261,63 1.315,64 22.639,65 8.569,66 22.654,67 12.228,68 0.303,69 1.589,70 32.537,71 10.803,72 45.249,73 15.713,74 0.568,75 1.525,76 33.891,77 9.729,78 109.764,79 13.946,80 0.638,81 1.375,82 29.826,83 9.054,84 85.691,85 12.623,86 0.247,87 1.421,88 29.774,89 10.552,90 42.324,91 15.202,92 0.596,93 1.484,94 34.455,95 11.192,96 117.916,97 16.563,98 0.338,99 1.33,100 30.438,101 10.486,102 59.809,103 14.901,104 20,105 44,106 0.254,107 0.517,108 0.693,109 0.787,110 0.8,111 0.8,112 3.341,113 0.993,114 -4.3,115 -4.24,116 -4,121 40.4,122 1,123 7,127 2,132 1,144 4,145 2,160 4,176 12,179 4,180 8,187 11,191 2,192 14,200 4,205 1,206 13,214 2,218 4,219 8,227 4,232 6,239 4,243 4,244 12,251 6,256 11,264 10,269 10,277 14,281 1072,282 18.397,283 18.397,284 18.397,285 18.397,286 18.397,287 17.236,288 17.139,289 10.714,290 18.598,291 14.693,292 14.693,293 14.693,294 14.693,295 14.693,296 12.661,297 18.837,298 4.919,299 14.988,300 4.189,301 2.625,302 1.573,303 1.015,304 0.938,305 0.938,306 4.032,310 1,311 1,312 1,313 564,314 3.464,317 200.675,318 76.806,321 112.541,325 1.267,326 38.424,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 58.5,338 259,339 4.714,340 4.197,341 7.717,342 4.565,343 3.592,344 4.146,345 2.018,346 14.281,347 3.496,348 4.585,349 3.952,350 6.964,351 4.291,352 3.301,353 3.931,354 1.355,355 11.69,356 3.262,357 3.722,358 3.256,359 6.19,360 3.558,361 2.613,362 2.833,363 1.349,364 8.994,365 2.463,366 3.531,367 3.011,368 5.683,369 3.186,370 2.221,371 2.777,372 0.8,373 7.248,374 2.137,375 3.441,376 2.832,377 5.491,378 3.066,379 2.026,380 2.65,381 0.53,382 6.426,383 2.093,384 3.2,385 2.431,386 5.146,387 2.846,388 1.857,389 2.262,391 5.452,392 1.828,393 2.816,394 1.979,395 4.092,396 2.457,397 1.459,398 1.926,400 3.218,401 1.452,402 2.496,403 1.644,404 3.729,405 2.366,406 1.373,407 1.469,409 2.996,410 1.361,411 2.48,412 1.478,413 3.645,414 2.318,415 1.336,416 1.433,418 2.658,419 1.307,420 2.459,421 1.35,422 3.618,423 1.942,424 0.927,425 1.387,427 2.21,428 0.934,429 2.187,430 1.275,431 3.618,432 1.939,433 0.914,434 1.072,436 2.179,437 0.93,438 1.756,439 1.261,440 3.431,441 1.618,442 0.618,443 0.618,445 1.464,446 0.618,447 1.618,448 0.618,449 3.095,450 1.384,451 0.36,452 0.42,454 0.758,455 0.364,456 1.348,457 0.486,458 2.939,459 1.127,460 0.126,461 0.151,463 0.246,464 0.125,465 1.033,466 0.44,467 2.669,468 0.701,469 -0.321,470 -0.39,472 -0.809,473 -0.323,474 12.7,475 0.47,476 0.687,477 0.025,478 29.75,479 1.102,480 12,481 0.444,482 17.75,483 0.657,484 27.021,485 1.001,486 29.9,487 0.575,488 22.231,489 0.823,490 5.198,491 0.193,492 7.874,493 0.292,494 0.118,495 0.039,496 0.299,501 0.587,502 1.452,503 0.793,504 1.195,505 0.482,506 1.052,507 0.511,508 1.184,509 0.816,510 1.051,511 0.494,512 0.989,513 0.861,514 1.056,515 0.822,516 0.986,517 0.77,518 0.898,519 1.561,520 1.057,521 1.133,522 0.943,523 1.46,524 0.953,525 1.604,526 0.999,527 1.352,528 1.003,529 1.647,530 1.118,531 0.851,532 1.098,533 0.991,534 1.091,535 0.766,536 1.064,537 0.671,538 0.906,539 0.769,540 0.881,541 0.613,542 0.842,543 1.024,544 0.825,545 0.901,546 0.87,547 1.025,548 0.865,549 5,550 0.054,551 4.222,552 3.847,553 1.237,554 0.692,555 0.701,556 0.622,557 0.408,558 0.243,559 8415,560 19620,561 2.088,562 48.1,563 11,564 8,568 2,569 4,572 1.705,573 1.94,574 3.239,575 -0.769,576 1,577 1,582 78.578,583 1.511,584 3.075,585 4.128,586 4.686,587 4.763,588 4.763,589 2.596,590 4.134,591 4.729,592 3.391,593 1190.18,594 8.232,595 15080.3,597 1,599 1,600 296.423,601 1.596,602 4.673,603 0.167,604 0.003,605 0.096,606 0.084,607 0.031,608 0.021,609 0.021,610 0.017,611 0.012,612 0.009,613 0.46,614 0.17,615 1,616 1.113,617 132.095,619 -0.216,620 0.064,621 -0.061,622 0.003,623 -0.003,624 0.194,625 -0.032,626 0.099,627 -0.012,628 0.051,629 0.015,630 0.06,631 -0.019,632 0.154,633 -0.018,634 0.059,635 0.073,636 -0.149,637 -0.035,638 -0.094,639 -0.025,640 -0.042,641 -0.041,642 -0.176,643 0.048,644 -0.325,645 -0.066,646 -0.201,647 -0.203,648 -0.046,649 -0.102,650 -0.036,651 -0.095,652 -0.009,653 -0.066,654 0.276,655 0.031,656 0.228,657 0.071,658 0.3,659 0.135,660 -0.066,661 0.111,662 0.086,663 0.111,664 -0.042,665 0.126,666 1.94,667 6.112,668 0.667,669 21.545,670 1,671 1.129,672 3.074,673 9.448,674 0.649,675 3.434,676 3.807,677 4.174,678 4.477,679 4.625,680 4.691,681 4.796,682 4.883,683 4.92,684 4.99,685 5.934,686 0.615,687 367.49,688 3.434,689 5.004,690 5.9,691 6.819,692 7.736,693 8.663,694 9.587,695 10.518,696 11.444,697 12.375,698 5.8,705 2,707 1,715 4,720 2,722 6,741 52,743 10,744 1,745 30,747 55,748 21,749 6,750 2,751 4,752 2,756 4,757 5,763 1,767 4,768 1,770 7,772 10,773 11,774 1,777 4,782 3,785 1,786 4,789 1,790 1,793 25,794 6,796 6,802 3,804 1,805 1,808 0.5,809 3,828 3,829 1,832 1,844 1,859 2,864 1,868 27,876 9,881 2,882 1,893 5.8,896 3,901 13.917,902 9.683,903 5.986,904 3.75,907 1.66,908 1.221,909 0.963,910 4.795,911 9.166,912 3.638,913 4.151,914 4.716,915 5.203,916 5.554,917 5.652,918 5.887,919 5.994,920 6.143,921 6.179,922 1,923 46,924 10.183,926 4.571,927 0.026,929 7.824,931 19.551,933 16.946,936 2.324,937 62.75,940 1,941 294.278,942 91.496,943 23.034,945 75.435,948 91.496,949 369.712,950 23.034,951 8.825,952 28.202,953 37.905,954 91.877,955 23.157,957 294.278,959 294.278,960 114.531,961 75.435,964 247.193,965 122.519,968 53.812,969 60.718,972 294.278,973 98.469,974 91.496,977 294.278,978 44.766,979 52.979,981 92.22,982 294.278,983 98.469,984 91.496,986 0.584,987 0.37,988 0.209,989 0.107,990 23,991 10,992 0.109,993 6,994 1,995 1.167,996 3.788,997 242.183,998 0.111,999 19,1000 114.382,1005 18.219,1006 7.107,1007 2.975,1009 98.469,1010 6.879,1015 0.893,1018 484.243,1019 37,1024 38.249,1027 4.846,1028 0.345,1031 52.007,1032 58.69,1034 0.265,1035 0.539,1036 0.724,1037 0.822,1038 0.836,1039 0.836,1040 4.931,1041 1.373,1042 5.932,1043 3.218,1044 4.489,1045 4.836,1046 2.787,1047 6.874,1048 4.45,1049 6.132,1050 1.336,1051 7.581,1052 2.996,1053 4.29,1054 4.718,1055 1.968,1056 8.247,1057 4.223,1058 7.469,1059 0.927,1060 9.349,1061 2.658,1062 6.24,1063 6.926,1064 3.533,1065 11.381,1066 6.149,1067 8.85,1068 0.914,1069 11.191,1070 2.21,1071 6.938,1072 7.667,1073 3.456,1074 13.599,1075 6.823,1076 10.274,1077 0.618,1078 13.081,1079 2.179,1080 8.39,1081 9.378,1082 4.579,1083 16.343,1084 8.25,1085 11.726,1086 0.36,1087 15.002,1088 1.464,1089 9.442,1090 10.484,1091 4.881,1092 18.842,1093 9.28,1094 13.199,1095 0.126,1096 16.947,1097 0.758,1098 10.746,1099 12.018,1100 5.8,1101 21.498,1102 10.56,1103 3.592,1104 -0.321,1105 18.91,1106 0.246,1107 11.927,1108 13.284,1109 6.296,1110 24.09,1111 11.72,1112 3.301,1113 14.281,1114 20.886,1115 -0.809,1116 13.191,1117 14.748,1118 7.113,1119 26.731,1120 12.96,1121 2.613,1122 11.69,1123 22.872,1124 4.146,1125 14.42,1126 16.086,1127 7.708,1128 29.357,1129 14.165,1130 2.221,1131 8.994,1132 24.868,1133 3.931,1134 15.676,1135 17.521,1136 8.472,1137 31.999,1138 15.397,1139 2.026,1140 7.248,1141 26.87,1142 2.833,1143 16.923,1144 18.892,1145 9.118,1146 34.64,1147 16.619,1148 1.857,1149 6.426,1150 28.878,1151 2.777,1152 18.18,1153 20.313,1154 9.855,1155 37.286,1156 17.851,1157 1.459,1158 5.452,1159 30.89,1160 2.65,1161 19.435,1162 21.702,1163 10.527,1164 39.934,1165 19.08,1166 8048,1167 12477,1168 19.879,1169 33.756,1170 46.175,1171 48.162,1172 48.583,1173 45.51,1174 45.448,1175 54.145,1176 12.106,1177 139.642,1178 44.738,1179 5.707,1180 6.197,1181 7.577,1182 5.635,1183 5.592,1184 7.146,1185 3.516,1186 22.242,1187 5.496,1188 13.06,1189 1.539,1190 1.605,1191 1.619,1192 1.517,1193 1.515,1194 1.805,1195 0.404,1196 4.655,1197 1.491,1198 4.047,1199 4.082,1200 4.003,1201 3.935,1202 7.447,1203 3.945,1204 3.973,1205 4.003,1206 3.92,1207 3.851,1208 7.426,1209 3.859,1210 3.686,1211 3.754,1212 3.53,1213 3.558,1214 7.408,1215 3.541,1216 3.579,1217 3.648,1218 3.441,1219 3.402,1220 4.694,1221 3.404,1222 3.421,1223 3.476,1224 3.312,1225 3.222,1226 4.646,1227 3.239,1228 3.164,1229 3.234,1230 2.99,1231 2.986,1232 4.145,1233 2.977,1234 3.062,1235 3.12,1236 2.973,1237 2.859,1238 4.061,1239 2.858,1240 3.014,1241 3.021,1242 2.901,1243 2.843,1244 3.949,1245 2.856,1246 0.157,1247 0.14,1248 0.257,1249 0.152,1250 0.12,1251 4.714,1252 0.138,1253 4.197,1254 0.067,1255 7.717,1256 0.476,1257 4.565,1258 0.117,1259 3.592,1260 4.146,1261 2.018,1262 14.281,1263 3.496,1264 1.887,1265 1.868,1266 1.986,1267 1.959,1268 1.28,1269 1.968,1270 1.737,1271 1.674,1272 1.982,1273 1.922,1274 1.211,1275 1.939,1276 1.65,1277 1.609,1278 1.86,1279 1.85,1280 1.18,1281 1.846,1282 1.577,1283 1.507,1284 1.825,1285 1.759,1286 1.09,1287 1.793,1288 1.564,1289 1.504,1290 1.778,1291 1.751,1292 1.085,1293 1.767,1294 1.325,1295 1.27,1296 1.587,1297 1.583,1298 0.783,1299 1.566,1300 1.117,1301 1.056,1302 1.305,1303 1.368,1304 0.39,1305 1.374,1306 1.007,1307 0.994,1308 1.135,1309 1.198,1310 0.264,1311 1.168,1312 4.111,1314 5.468,1315 3.434,1316 7.029,1317 5.938,1318 8.684,1319 8.138,1320 10.392,1322 2.117,1328 6.999,1333 3,1334 -0.578,1340 32.003,1341 78.578,1342 159.92,1343 214.648,1344 243.668,1345 247.668,1346 247.668,1347 65.077,1348 7.505,1349 71.74,1350 71.74,1351 21,1352 12.877,1353 3.459,1354 3,1355 40.054,1356 96,1357 98,1358 0.205,1359 194.516,1360 352.41,1361 466.379,1362 17446,1364 19.018,1365 0.704,1366 0.583,1367 19.018,1368 15.74,1369 13.071,1370 0.436,1371 0.331,1372 9.824,1373 12.642,1374 9.627,1375 7.938,1376 13.071,1377 9.932,1378 11.7,1379 0.266,1380 0.174,1381 11.7,1382 7.635,1383 10.82,1384 0.169,1385 0.092,1386 10.82,1387 5.908,1388 9.247,1389 0.106,1390 0.051,1391 9.247,1392 4.408,1393 6.921,1394 0.069,1395 0.028,1396 6.921,1397 2.811,1398 0.315,1399 81.616,1400 0.224,1401 25.517,1402 0.581,1403 148,1404 414.142,1405 162.581,1406 394.679,1407 538.59,1408 368,1409 182,1410 397.768,1411 198.579,1412 397.68,1413 598.83,1414 377,1415 6.637}
{0 CHEMBL240972,1 1.106,2 11.969,3 6.585,4 43.357,5 137.436,6 5.51,8 4.413,9 4.553,10 3.708,11 3.966,12 5.235,13 3.87,14 5.069,15 5.279,16 4.186,17 4.493,18 5.754,19 4.373,20 5.478,21 5.69,22 4.448,23 4.847,24 6.214,25 4.697,26 5.832,27 6.097,28 4.414,29 5.017,30 6.51,31 4.807,32 5.919,33 6.235,34 4.233,35 4.966,36 6.493,37 4.705,38 5.772,39 6.101,40 4.074,41 4.785,42 6.321,43 4.526,44 5.572,45 5.884,46 3.978,47 4.644,48 6.138,49 4.4,50 5.508,51 5.82,52 3.925,53 4.552,54 6.122,55 4.317,56 0.103,57 1.054,58 20.595,59 9.243,60 12.366,61 12.836,62 0.192,63 1.888,64 37.436,65 16.628,66 19.34,67 23.288,68 0.278,69 2.796,70 55.869,71 24.646,72 37.805,73 34.635,74 0.465,75 3.609,76 74.835,77 31.85,78 61.928,79 45.195,80 0.427,81 3.679,82 76.591,83 32.681,84 62.651,85 46.867,86 0.394,87 3.1,88 65.293,89 27.515,90 53.379,91 39.517,92 0.302,93 2.624,94 54.585,95 23.282,96 39.204,97 33.336,98 0.336,99 2.409,100 51.417,101 21.261,102 43.868,103 30.421,104 88,105 57,106 0.172,107 0.421,108 0.683,109 0.829,110 0.868,111 0.868,112 3.503,113 1.138,114 -7.12,115 -6.92,116 -6.4,121 37.5,122 7,123 8,124 3,125 4,127 1,129 1,137 3,138 3,176 30,185 3,187 48,197 6,200 61,211 3,214 55,224 4,227 42,237 3,239 36,249 4,251 30,261 5,264 25,274 7,277 16,281 1640,282 20.461,283 20.461,284 20.461,285 20.461,286 20.461,287 19.695,288 19.575,289 11.028,290 20.511,291 17.011,292 17.011,293 17.011,294 17.011,295 17.011,296 15.856,297 17.766,298 4.955,299 17.122,300 5.216,301 3.618,302 1.935,303 0.994,304 0.741,305 0.741,306 4.183,312 1,313 814,314 4.95,317 52.335,318 175.546,321 86.394,322 194.176,325 2.096,326 24.744,329 0.75,330 0.83,331 0.83,332 0.9,333 0.5,334 0.83,335 1,336 0.81,337 66,338 383,339 5.036,340 4.116,341 8.689,342 4.981,343 3.981,344 4.2,345 1.023,346 17.489,347 3.98,348 4.756,349 3.838,350 8.115,351 4.738,352 3.74,353 3.783,355 15.557,356 3.73,357 4.237,358 3.294,359 7.352,360 4.152,361 3.158,362 3.326,364 12.365,365 3.137,366 3.834,367 2.883,368 6.846,369 3.753,370 2.753,371 2.988,373 10.51,374 2.751,375 3.729,376 2.827,377 5.884,378 3.347,379 2.355,380 2.895,382 7.187,383 2.335,384 3.314,385 2.291,386 5.553,387 3.188,388 2.19,389 2.342,391 6.265,392 2.185,393 3.165,394 2.119,395 5.189,396 2.899,397 1.911,398 2.195,400 5.88,401 1.893,402 2.906,403 2.007,404 4.988,405 2.851,406 1.866,407 1.904,409 5.376,410 1.828,411 2.634,412 1.693,413 4.463,414 2.392,415 1.399,416 1.579,418 3.694,419 1.388,420 2.397,421 1.624,422 4.3,423 2.383,424 1.387,425 1.395,427 3.521,428 1.379,429 2.011,430 1.203,431 3.899,432 1.963,433 0.973,434 0.99,436 2.28,437 0.961,438 1.917,439 1.058,440 3.739,441 1.782,442 0.788,443 0.848,445 1.949,446 0.782,447 1.458,448 0.911,449 3.419,450 1.376,451 0.418,452 0.423,454 1.008,455 0.397,456 1.413,457 0.687,458 3.315,459 1.207,460 0.306,461 0.323,463 0.448,464 0.271,465 1.17,466 0.19,467 3.223,468 1.044,469 0.055,470 0.059,472 0.144,473 0.055,474 15.667,475 0.49,476 1.343,477 0.042,478 22,479 0.688,480 4,481 0.125,482 18,483 0.563,484 58.803,485 1.838,486 38.333,487 0.479,488 10.715,489 0.335,490 2.299,491 0.072,492 12.615,493 0.394,494 0.266,495 0.128,496 0.223,501 0.993,502 1.218,503 1.17,504 1.217,505 1.114,506 1.206,507 0.767,508 0.989,509 0.948,510 0.989,511 0.739,512 0.981,513 0.71,514 1.266,515 1.156,516 1.265,517 0.654,518 1.241,519 1.011,520 1.18,521 1.206,522 1.187,523 1.004,524 1.206,525 0.52,526 1.034,527 0.974,528 1.039,529 0.52,530 1.035,531 0.612,532 0.896,533 0.876,534 0.9,535 0.602,536 0.904,537 0.518,538 1.023,539 0.946,540 1.025,541 0.523,542 1.013,543 0.859,544 0.961,545 0.937,546 0.96,547 0.856,548 0.954,549 10.5,550 0.186,551 8.667,552 5.104,553 3.499,554 1.691,555 1.166,556 0.839,557 0.545,558 0.306,559 12124,560 19441,561 1.961,562 60,563 38,564 6,567 2,569 2,572 1.746,573 1.745,574 3.456,575 0.022,582 88.469,583 1.106,584 2.704,585 4.387,586 5.328,587 5.581,588 5.581,589 3.043,590 4.789,591 4.959,592 3.644,593 1807.62,594 8.692,595 24649.9,600 505.754,601 1.9,602 4.854,603 0.3,604 0.009,605 0.152,606 0.073,607 0.056,608 0.035,609 0.027,610 0.022,611 0.015,612 0.011,613 0.699,614 0.5,615 0.88,616 1.608,617 164.804,618 -0.056,619 0.099,620 0.036,621 0.095,622 -0.151,623 0.074,624 0.002,625 0.2,626 0.156,627 0.199,628 -0.002,629 0.189,630 -0.007,631 -0.086,632 -0.065,633 -0.085,634 0.045,635 -0.079,636 -0.109,637 -0.12,638 -0.178,639 -0.127,640 -0.096,641 -0.154,642 0.01,643 -0.065,644 -0.041,645 -0.064,646 0.009,647 -0.057,648 0.014,649 0.043,650 0.046,651 0.044,652 0.01,653 0.047,654 0.032,655 -0.044,656 -0.004,657 -0.041,658 0.016,659 -0.027,660 0.01,661 0.001,662 0.023,663 0.004,664 0.004,665 0.013,666 1.513,667 4.787,668 0.531,669 35.359,670 0.973,671 1.13,672 5.894,673 34.739,674 0.615,675 3.584,676 4.06,677 4.443,678 4.727,679 4.99,680 5.226,681 5.468,682 5.673,683 5.805,684 5.903,685 6.687,686 0.551,687 440.78,688 3.584,689 5.22,690 6.146,691 7.111,692 8.064,693 9.038,694 10.004,695 10.985,696 11.958,697 12.943,741 80,743 3,745 35,747 83,748 30,752 4,756 4,757 10,763 8,764 4,766 4,767 7,768 2,770 9,772 6,773 24,774 3,777 3,784 3,786 3,793 48,794 2,795 2,796 2,808 0.25,809 2,810 1,811 1,828 1,829 3,832 1,833 2,849 3,850 3,857 2,859 1,864 7,868 32,875 2,876 9,880 4,882 4,893 2.5,894 2,901 18.333,902 15.983,903 6.743,904 5.361,907 1.016,908 1.121,909 0.865,910 6.161,911 9.389,912 3.664,913 4.205,914 4.663,915 5.03,916 5.389,917 5.724,918 6.061,919 6.326,920 6.516,921 6.692,922 1,923 70,924 12.036,926 5.275,927 0.026,929 7.401,931 24.602,933 22.67,936 1.901,937 60.833,941 541.471,942 120.038,945 85.367,948 120.038,949 626.837,951 61.776,952 20.276,953 113.795,955 9.557,957 541.471,959 541.471,960 120.038,961 85.367,964 517.928,965 23.542,966 85.367,968 82.053,969 9.557,970 28.429,972 541.471,973 85.367,974 120.038,977 541.471,978 29.833,979 90.205,981 85.367,982 541.471,983 85.367,984 120.038,986 0.621,987 0.391,988 0.187,989 0.094,990 31,991 15,992 0.06,993 5,994 3,995 1.353,996 3.883,997 323.791,998 0.353,999 17,1000 158,1005 24.273,1006 8.122,1007 3.458,1009 85.367,1017 85.367,1018 746.876,1019 38,1026 7.486,1028 4.409,1031 77.861,1032 90.384,1034 0.175,1035 0.428,1036 0.694,1037 0.843,1038 0.883,1039 0.883,1040 5.069,1041 1.866,1042 6.282,1043 5.88,1044 4.745,1045 4.89,1046 1.13,1047 7.361,1048 4.734,1049 6.335,1050 1.399,1051 8.042,1052 5.376,1053 4.934,1054 5.056,1056 9.135,1057 4.926,1058 7.744,1059 1.387,1060 9.933,1061 3.694,1062 6.713,1063 6.974,1064 1.161,1065 12.323,1066 6.701,1067 9.189,1068 0.973,1069 11.902,1070 3.521,1071 7.674,1072 7.886,1074 14.83,1075 7.662,1076 10.672,1077 0.788,1078 13.92,1079 2.28,1080 9.102,1081 9.424,1082 1.193,1083 17.729,1084 9.089,1085 12.18,1086 0.418,1087 15.969,1088 1.949,1089 10.323,1090 10.622,1092 20.452,1093 10.31,1094 13.707,1095 0.306,1096 18.04,1097 1.008,1098 11.678,1099 12.054,1100 1.225,1101 23.292,1102 11.665,1103 3.981,1104 0.055,1105 20.126,1106 0.448,1107 12.984,1108 13.369,1110 26.086,1111 12.971,1112 3.74,1113 17.489,1114 22.224,1115 0.144,1116 14.33,1117 14.774,1118 1.258,1119 28.918,1120 14.317,1121 3.158,1122 15.557,1123 24.331,1124 4.2,1125 15.667,1126 16.14,1128 31.739,1129 15.653,1130 2.753,1131 12.365,1132 26.445,1133 3.783,1134 17.017,1135 17.543,1136 1.291,1137 34.574,1138 17.003,1139 2.355,1140 10.51,1141 28.565,1142 3.326,1143 18.367,1144 18.934,1146 37.407,1147 18.352,1148 2.19,1149 7.187,1150 30.69,1151 2.988,1152 19.722,1153 20.342,1154 1.325,1155 40.247,1156 19.707,1157 1.911,1158 6.265,1159 32.818,1160 2.895,1161 21.078,1162 21.746,1164 43.088,1165 21.064,1166 12002,1167 15167,1168 21.553,1169 49.183,1170 55.382,1171 55.926,1172 60.3,1173 54.45,1174 54.558,1175 58.5,1176 2.047,1177 187.343,1178 54.144,1179 6.036,1180 6.116,1181 8.286,1182 5.981,1183 5.981,1184 6.789,1185 2.047,1186 27.292,1187 5.98,1188 21.953,1189 1.582,1190 1.598,1191 1.723,1192 1.556,1193 1.559,1194 1.671,1195 0.058,1196 5.353,1197 1.547,1198 4.144,1199 4.176,1200 4.069,1201 4.089,1202 6.458,1203 4.08,1204 3.928,1205 3.97,1206 3.827,1207 3.849,1208 6.448,1209 3.838,1210 3.778,1211 3.825,1212 3.661,1213 3.682,1214 4.659,1215 3.67,1216 3.612,1217 3.66,1218 3.492,1219 3.508,1220 4.377,1221 3.497,1222 3.478,1223 3.544,1224 3.317,1225 3.354,1226 4.304,1227 3.336,1228 3.41,1229 3.477,1230 3.244,1231 3.285,1232 4.128,1233 3.267,1234 3.321,1235 3.4,1236 3.122,1237 3.182,1238 4.009,1239 3.157,1240 3.185,1241 3.268,1242 2.98,1243 3.012,1244 3.946,1245 2.99,1246 0.144,1247 0.118,1248 0.248,1249 0.142,1250 0.114,1251 5.036,1252 0.12,1253 4.116,1254 0.029,1255 8.689,1256 0.5,1257 4.981,1258 0.114,1259 3.981,1260 4.2,1261 1.023,1262 17.489,1263 3.98,1264 2.074,1265 2.048,1266 2.202,1267 2.153,1268 1.616,1269 2.171,1270 1.879,1271 1.838,1272 2.068,1273 1.996,1274 1.48,1275 2.023,1276 1.797,1277 1.753,1278 1.991,1279 1.923,1280 1.346,1281 1.948,1282 1.679,1283 1.632,1284 1.898,1285 1.826,1286 1.161,1287 1.852,1288 1.506,1289 1.448,1290 1.777,1291 1.673,1292 1.019,1293 1.711,1294 1.439,1295 1.375,1296 1.729,1297 1.622,1298 0.998,1299 1.662,1300 1.405,1301 1.335,1302 1.69,1303 1.593,1304 0.957,1305 1.63,1306 1.225,1307 1.15,1308 1.557,1309 1.434,1310 0.755,1311 1.479,1312 4.263,1314 5.7,1315 2.398,1316 7.359,1317 4.949,1318 9.128,1319 7.248,1320 10.958,1322 16.79,1327 20.093,1328 9.482,1332 1.806,1334 0.767,1340 44.073,1341 88.469,1342 216.286,1343 350.947,1344 426.205,1345 446.47,1346 446.47,1347 79.37,1348 8.373,1349 40.46,1350 40.46,1351 23,1352 13.413,1353 2,1354 2,1355 51.93,1356 126,1357 168,1358 0.21,1359 268.177,1360 487.78,1361 646.113,1362 48500,1364 23.527,1365 0.735,1366 0.681,1367 23.527,1368 21.8,1369 14.915,1370 0.426,1371 0.379,1372 13.239,1373 14.767,1374 12.517,1375 10.441,1376 14.915,1377 13.278,1378 15.05,1379 0.264,1380 0.231,1381 15.05,1382 13.179,1383 13.81,1384 0.164,1385 0.135,1386 13.81,1387 11.336,1388 10.837,1389 0.097,1390 0.079,1391 10.837,1392 8.803,1393 8.384,1394 0.057,1395 0.043,1396 8.384,1397 6.261,1398 0.323,1399 90.772,1400 0.215,1401 29.299,1402 0.598,1403 184,1404 284.299,1405 187.543,1406 285.876,1407 401.65,1408 268,1409 233,1410 298.788,1411 236.654,1412 315.889,1413 471.06,1414 295,1415 4.572}
{0 CHEMBL241011,1 1.449,2 8.72,3 4.199,4 17.632,5 95.025,6 6.715,7 0.214,8 4.024,9 4.142,10 3.517,11 3.535,12 4.967,13 3.503,14 4.65,15 4.836,16 3.925,17 3.972,18 5.559,19 3.917,20 4.881,21 5.109,22 3.942,23 4.086,24 5.8,25 3.995,26 4.93,27 5.169,28 3.866,29 4.052,30 5.853,31 3.958,32 4.87,33 5.105,34 3.814,35 4.025,36 5.778,37 3.927,38 4.883,39 5.102,40 3.83,41 4.089,42 5.784,43 3.974,44 4.979,45 5.236,46 3.79,47 4.106,48 5.862,49 3.961,50 4.923,51 5.178,52 3.647,53 4.031,54 5.747,55 3.861,56 0.016,57 0.721,58 11.986,59 5.14,60 4.878,61 6.959,62 0.345,63 1.225,64 23.876,65 8.723,66 23.371,67 12.264,68 0.267,69 1.48,70 30.31,71 10.419,72 31.783,73 15.342,74 0.383,75 1.494,76 32.586,77 10.054,78 44.586,79 14.985,80 0.454,81 1.395,82 30.761,83 9.876,84 43.676,85 14.353,86 0.343,87 1.438,88 30.496,89 10.968,90 36.259,91 15.566,92 0.465,93 1.488,94 33.99,95 12.302,96 56.177,97 17.632,98 0.384,99 1.383,100 31.917,101 12.115,102 43.071,103 17.2,104 13,105 41,106 0.246,107 0.512,108 0.729,109 0.813,110 0.826,111 0.833,112 3.268,113 1.01,114 -4.61,115 -4.53,116 -4.26,121 39.2,122 2,123 7,127 1,128 1,132 1,144 2,145 2,146 2,160 2,176 10,179 3,180 7,187 9,191 1,192 14,200 3,206 14,214 3,218 1,219 8,227 9,231 1,232 5,239 15,243 2,244 2,251 17,255 2,256 4,264 10,269 6,277 2,281 911,282 17.085,283 17.085,284 17.085,285 17.085,286 17.085,287 16.033,288 20.596,289 9.992,290 17.357,291 13.762,292 13.762,293 13.762,294 13.762,295 13.762,296 11.946,297 27.215,298 4.648,299 14.213,300 4.224,301 2.658,302 1.383,303 0.892,304 0.814,305 0.775,306 3.961,311 1,312 1,313 478,314 3.24,317 187.86,318 61.935,321 99.872,325 1.194,326 24.771,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 54,338 218,339 4.718,340 4.2,341 7.718,342 4.567,343 3.594,344 4.078,345 2.021,346 14.285,347 3.497,348 4.388,349 3.364,350 6.356,351 4.006,352 3.038,353 3.923,354 1.392,355 9.761,356 2.945,357 3.813,358 3.061,359 6.182,360 3.591,361 2.647,362 3.124,363 1.358,364 9.039,365 2.491,366 3.652,367 2.863,368 5.777,369 3.365,370 2.4,371 2.78,372 0.69,373 7.703,374 2.303,375 3.196,376 2.76,377 5.145,378 2.842,379 1.854,380 2.301,381 0.532,382 5.45,383 1.825,384 3.039,385 2.099,386 4.638,387 2.658,388 1.686,389 2.178,390 0.239,391 4.888,392 1.633,393 2.478,394 1.816,395 4.08,396 2.385,397 1.393,398 1.454,400 3.112,401 1.378,402 2.419,403 1.709,404 3.734,405 2.318,406 1.338,407 1.406,409 2.67,410 1.305,411 2.209,412 1.498,413 3.618,414 2.109,415 1.111,416 1.19,418 2.474,419 1.108,420 2.073,421 1.38,422 3.585,423 1.867,424 0.918,425 1.004,427 2.371,428 0.859,429 1.727,430 1.154,431 3.452,432 1.618,433 0.618,434 0.618,436 1.464,437 0.618,438 1.618,439 0.618,440 3.151,441 1.437,442 0.44,443 0.505,445 1.023,446 0.434,447 1.348,448 0.479,449 2.941,450 1.127,451 0.149,452 0.169,454 0.275,455 0.145,456 0.909,457 0.251,458 2.741,459 0.687,460 -0.293,461 -0.337,463 -0.755,464 -0.286,465 0.811,466 -0.116,467 2.599,468 0.473,469 -0.503,470 -0.577,472 -1.334,473 -0.488,474 11.8,475 0.472,476 0.631,477 0.025,478 26.5,479 1.06,480 10,481 0.4,482 16.5,483 0.66,484 26.414,485 1.057,486 28.4,487 0.557,488 17.376,489 0.695,490 4.497,491 0.18,492 7.63,493 0.305,494 0.113,495 0.042,496 0.288,501 0.757,502 1.444,503 0.848,504 1.267,505 0.594,506 1.099,507 0.836,508 1.108,509 0.856,510 0.992,511 0.613,512 0.937,513 0.822,514 1.197,515 0.929,516 1.085,517 0.866,518 1.022,519 1.253,520 1.069,521 1.094,522 0.977,523 1.641,524 0.989,525 1.294,526 0.908,527 1.094,528 0.873,529 1.524,530 0.932,531 1.038,532 1.109,533 1.128,534 1.127,535 1.201,536 1.137,537 0.771,538 0.923,539 0.957,540 1,541 1.219,542 1.006,543 0.654,544 1.092,545 1.002,546 1.189,547 0.838,548 1.164,549 5.5,550 0.032,551 3.556,552 2.431,553 1.569,554 0.931,555 0.681,556 0.415,557 0.297,558 0.091,559 6733,560 14384,561 2.12,562 51,563 14,564 4,565 2,568 2,569 4,572 1.687,573 1.987,574 3.121,575 -0.79,577 1,582 73.889,583 1.449,584 3.015,585 4.289,586 4.78,587 4.859,588 4.898,589 2.478,590 4.404,591 4.615,592 3.256,593 976.885,594 8.017,595 11568.4,597 1,599 1,600 289.294,601 1.535,602 4.57,603 0.196,604 0.004,605 0.087,606 0.061,607 0.044,608 0.027,609 0.019,610 0.013,611 0.011,612 0.006,613 0.467,614 0.33,615 1,616 1.11,617 118.223,618 0.01,619 -0.195,620 0.084,621 -0.087,622 -0.005,623 -0.006,624 0.162,625 0.018,626 0.123,627 0.062,628 0.08,629 0.078,630 0.024,631 -0.119,632 0.038,633 -0.084,634 0.069,635 -0.029,636 -0.157,637 -0.011,638 -0.088,639 -0.033,640 -0.167,641 -0.042,642 -0.149,643 0.136,644 -0.087,645 0.088,646 -0.109,647 0.024,648 -0.08,649 -0.06,650 -0.157,651 -0.107,652 -0.041,653 -0.139,654 0.087,655 0.042,656 0.004,657 -0.004,658 0.032,659 -0.009,660 0.137,661 -0.154,662 -0.057,663 -0.172,664 0.042,665 -0.15,666 1.715,667 6.208,668 0.72,669 19.018,670 0.996,671 1.13,672 3.379,673 11.418,674 0.637,675 3.367,676 3.738,677 4.078,678 4.382,679 4.564,680 4.691,681 4.804,682 4.913,683 4.905,684 4.97,685 5.436,686 0.598,687 342.48,688 3.367,689 4.934,690 5.82,691 6.735,692 7.644,693 8.567,694 9.485,695 10.411,696 11.334,697 12.261,698 3.9,705 1,707 1,715 2,720 4,722 6,739 2,741 51,743 8,744 1,745 28,747 54,748 20,749 6,750 4,751 2,756 4,757 5,763 2,767 4,768 1,770 7,772 8,773 12,774 1,777 2,782 1,785 1,786 2,790 1,793 26,794 5,796 5,802 2,804 1,808 0.5,809 3,828 3,829 1,832 1,844 1,859 2,864 2,868 25,876 9,878 2,881 1,882 1,893 5.9,896 1,898 2,901 12.583,902 9.817,903 5.486,904 3.613,907 1.568,908 1.213,909 0.958,910 4.488,911 8.925,912 3.526,913 4.069,914 4.608,915 5.099,916 5.524,917 5.732,918 5.929,919 6.227,920 6.393,921 6.618,922 0.833,923 40,924 9.364,926 4.079,927 0.026,929 7.57,931 18.45,933 15.898,936 2.07,937 51.75,939 1,940 1,941 306.049,942 86.991,943 19.91,945 47.145,948 86.991,949 353.193,950 19.91,951 17.65,952 29.622,953 18.952,954 32.177,955 55.643,956 23.542,957 282.506,959 306.049,960 106.901,961 47.145,964 258.964,965 94.229,968 64.058,969 42.843,972 306.049,973 67.055,974 86.991,977 306.049,978 50.388,979 39.727,981 63.93,982 306.049,983 67.055,984 86.991,986 0.584,987 0.358,988 0.199,989 0.106,990 22,991 9,992 0.093,993 5,994 1,995 1.167,996 3.641,997 219.59,998 0.111,999 19,1000 110.096,1005 16.898,1006 6.64,1007 2.948,1009 67.055,1010 4.022,1015 3.798,1018 460.094,1019 33,1024 13.208,1027 4.954,1028 1.18,1031 50.789,1032 57.607,1034 0.255,1035 0.531,1036 0.756,1037 0.843,1038 0.857,1039 0.863,1040 4.824,1041 1.338,1042 5.849,1043 3.112,1044 4.419,1045 4.754,1046 2.799,1047 6.77,1048 4.355,1049 6.026,1050 1.111,1051 7.482,1052 2.67,1053 4.205,1054 4.691,1055 1.912,1056 8.12,1057 4.103,1058 7.367,1059 0.918,1060 9.232,1061 2.474,1062 6.155,1063 6.877,1064 3.577,1065 11.232,1066 6.023,1067 8.75,1068 0.618,1069 11.059,1070 2.371,1071 6.825,1072 7.638,1073 3.412,1074 13.451,1075 6.663,1076 10.172,1077 0.44,1078 12.935,1079 1.464,1080 8.273,1081 9.338,1082 4.634,1083 16.189,1084 8.083,1085 11.618,1086 0.149,1087 14.848,1088 1.023,1089 9.301,1090 10.436,1091 4.859,1092 18.702,1093 9.085,1094 13.084,1095 -0.293,1096 16.788,1097 0.275,1098 10.599,1099 11.963,1100 5.846,1101 21.367,1102 10.358,1103 3.594,1104 -0.503,1105 18.748,1106 -0.755,1107 11.767,1108 13.209,1109 6.291,1110 23.976,1111 11.501,1112 3.038,1113 14.285,1114 20.724,1115 -1.334,1116 13.028,1117 14.664,1118 7.148,1119 26.63,1120 12.737,1121 2.647,1122 9.761,1123 22.713,1124 4.078,1125 14.251,1126 15.981,1127 7.714,1128 29.272,1129 13.936,1130 2.4,1131 9.039,1132 24.712,1133 3.923,1134 15.508,1135 17.404,1136 8.5,1137 31.927,1138 15.167,1139 1.854,1140 7.703,1141 26.719,1142 3.124,1143 16.756,1144 18.757,1145 9.132,1146 34.579,1147 16.39,1148 1.686,1149 5.45,1150 28.734,1151 2.78,1152 18.016,1153 20.165,1154 9.879,1155 37.236,1156 17.625,1157 1.393,1158 4.888,1159 30.754,1160 2.301,1161 19.276,1162 21.535,1163 10.545,1164 39.892,1165 18.859,1166 6414,1167 9536,1168 18.781,1169 32.512,1170 42.712,1171 43.734,1172 44.609,1173 42.429,1174 42.368,1175 49.46,1176 12.461,1177 129.03,1178 41.083,1179 5.699,1180 6.2,1181 7.578,1182 5.631,1183 5.594,1184 7.078,1185 3.519,1186 22.259,1187 5.497,1188 10.724,1189 1.525,1190 1.562,1191 1.593,1192 1.515,1193 1.513,1194 1.766,1195 0.445,1196 4.608,1197 1.467,1198 4.046,1199 4.081,1200 3.993,1201 3.929,1202 7.427,1203 3.938,1204 3.93,1205 3.952,1206 3.874,1207 3.819,1208 5,1209 3.825,1210 3.68,1211 3.748,1212 3.518,1213 3.552,1214 4.653,1215 3.534,1216 3.51,1217 3.57,1218 3.376,1219 3.305,1220 4.354,1221 3.316,1222 3.371,1223 3.412,1224 3.247,1225 3.145,1226 4.143,1227 3.164,1228 3.133,1229 3.221,1230 2.936,1231 2.957,1232 4.038,1233 2.938,1234 3.05,1235 3.117,1236 2.886,1237 2.859,1238 3.981,1239 2.855,1240 2.869,1241 2.979,1242 2.634,1243 2.671,1244 3.662,1245 2.635,1246 0.168,1247 0.15,1248 0.276,1249 0.163,1250 0.128,1251 4.718,1252 0.146,1253 4.2,1254 0.072,1255 7.718,1256 0.51,1257 4.567,1258 0.125,1259 3.594,1260 4.078,1261 2.021,1262 14.285,1263 3.497,1264 1.914,1265 1.895,1266 2.019,1267 2.007,1268 1.282,1269 2.011,1270 1.727,1271 1.666,1272 1.974,1273 1.894,1274 1.217,1275 1.923,1276 1.619,1277 1.58,1278 1.86,1279 1.783,1280 1.211,1281 1.793,1282 1.577,1283 1.507,1284 1.793,1285 1.751,1286 1.162,1287 1.785,1288 1.395,1289 1.327,1290 1.637,1291 1.631,1292 0.823,1293 1.632,1294 1.202,1295 1.153,1296 1.52,1297 1.521,1298 0.677,1299 1.494,1300 1.142,1301 1.087,1302 1.43,1303 1.389,1304 0.576,1305 1.425,1306 1.097,1307 1.018,1308 1.407,1309 1.354,1310 0.552,1311 1.385,1312 4.043,1314 5.398,1315 3.434,1316 6.948,1317 5.82,1318 8.594,1319 7.941,1320 10.294,1322 4.237,1328 7.916,1330 10.964,1333 1.936,1334 -0.465,1340 30.509,1341 73.889,1342 153.745,1343 218.764,1344 243.784,1345 247.784,1346 249.784,1347 42.747,1348 7.358,1349 51.13,1350 51.13,1351 21,1352 12.766,1353 3.17,1354 2.585,1355 35.677,1356 79,1357 88,1358 0.219,1359 183.984,1360 329.39,1361 440.681,1362 14035,1364 17.441,1365 0.698,1366 0.606,1367 17.441,1368 15.138,1369 12.127,1370 0.433,1371 0.337,1372 9.305,1373 11.67,1374 9.041,1375 7.496,1376 12.127,1377 9.426,1378 11.024,1379 0.269,1380 0.18,1381 11.024,1382 7.394,1383 9.886,1384 0.17,1385 0.097,1386 9.886,1387 5.642,1388 8.343,1389 0.106,1390 0.052,1391 8.343,1392 4.124,1393 6.425,1394 0.068,1395 0.028,1396 6.425,1397 2.685,1398 0.332,1399 76.074,1400 0.231,1401 23.765,1402 0.636,1403 138,1404 368.497,1405 152.711,1406 345.057,1407 480.11,1408 326,1409 168,1410 360.883,1411 184.322,1412 361.712,1413 542.57,1414 340,1415 6.635}
{0 CHEMBL241127,1 1.779,2 12.087,3 5.2,4 27.038,5 88.644,6 9.109,7 0.5,8 3.762,9 3.854,10 3.484,11 3.303,12 4.94,13 3.294,14 4.258,15 4.401,16 3.849,17 3.628,18 5.508,19 3.589,20 4.484,21 4.673,22 3.915,23 3.66,24 5.641,25 3.612,26 4.351,27 4.539,28 3.845,29 3.527,30 5.545,31 3.482,32 4.238,33 4.418,34 3.652,35 3.463,36 5.506,37 3.428,38 4.191,39 4.356,40 3.537,41 3.486,42 5.392,43 3.41,44 4.163,45 4.351,46 3.415,47 3.398,48 5.318,49 3.28,50 3.987,51 4.193,52 3.331,53 3.217,54 5.041,55 3.112,56 0.105,57 0.512,58 5.624,59 3.437,60 7.797,61 3.96,62 0.414,63 0.763,64 12.804,65 5.738,66 30.766,67 6.979,68 0.628,69 0.833,70 25.853,71 7.508,72 51.704,73 8.828,74 0.56,75 0.747,76 22.894,77 6.388,78 48.274,79 7.131,80 0.566,81 0.71,82 17.072,83 5.322,84 48.52,85 6.108,86 0.373,87 0.666,88 15.58,89 5.604,90 38.799,91 6.389,92 0.506,93 0.602,94 17.067,95 5.869,96 45.764,97 7.11,98 0.306,99 0.514,100 15.701,101 5.072,102 24.618,103 6.34,104 23,105 31,106 0.32,107 0.648,108 0.774,109 0.828,110 0.846,111 0.865,112 3.187,113 0.986,114 -4.52,115 -4.45,116 -4.19,121 41,122 1,123 2,127 1,144 5,146 4,147 1,149 1,161 1,176 4,179 2,180 4,183 2,185 1,187 5,192 9,197 1,200 2,206 6,211 3,214 1,218 1,219 7,224 2,227 4,232 2,239 6,243 2,247 1,251 6,256 2,264 6,268 1,269 1,272 1,277 2,281 736,282 15.37,283 15.37,284 15.37,285 15.37,286 15.37,287 13.662,288 16.77,289 9.479,290 15.975,291 11.826,292 11.826,293 11.826,294 11.826,295 11.826,296 9.295,297 17.58,298 4.526,299 12.937,300 3.507,301 1.683,302 0.984,303 0.686,304 0.583,305 0.481,306 3.851,308 2,311 1,312 1,313 568,314 3.391,318 171.451,325 2.091,326 25.976,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 50.667,338 278,339 4.259,340 3.664,341 6.094,342 3.788,343 2.895,344 3.902,345 2.186,346 8.877,347 2.581,348 4.039,349 3.335,350 5.546,351 3.602,352 2.668,353 3.628,354 0.86,355 7.548,356 2.435,357 3.691,358 2.893,359 5.245,360 3.303,361 2.373,362 2.96,363 0.366,364 6.692,365 2.188,366 3.458,367 2.704,368 4.928,369 3.006,370 2.106,371 2.745,373 5.709,374 1.882,375 3.276,376 2.486,377 4.756,378 2.833,379 1.927,380 2.502,382 5.302,383 1.646,384 2.822,385 1.858,386 4.126,387 2.552,388 1.561,389 1.95,391 3.651,392 1.538,393 2.621,394 1.783,395 3.568,396 2.281,397 1.412,398 1.612,400 3.002,401 1.17,402 2.5,403 1.058,404 3.414,405 2,406 1,407 1.5,409 2.275,410 1,411 1.775,412 1,413 3.084,414 1.667,415 0.71,416 0.736,418 1.28,419 0.673,420 1.684,421 0.947,422 2.836,423 1.282,424 0.433,425 0.518,427 0.976,428 0.343,429 1.3,430 0.712,431 2.359,432 0.874,438 0.811,439 0.256,440 2.339,441 0.603,442 -0.37,443 -0.401,445 -0.629,446 -0.293,447 0.786,448 0.185,449 2.147,450 0.321,451 -0.514,452 -0.621,454 -1.242,455 -0.336,456 0.717,457 -0.094,458 2,459 0.254,460 -0.597,461 -0.749,463 -1.522,464 -0.52,465 0.5,466 -0.472,467 1.64,469 -1,470 -1.274,472 -2.412,473 -0.859,474 11.229,475 0.488,476 0.506,477 0.022,478 29.25,479 1.272,480 14.5,481 0.63,482 14.75,483 0.641,484 17.395,485 0.756,486 25.371,487 0.651,488 19.855,489 0.863,490 5.713,491 0.248,492 5.366,493 0.233,494 0.201,496 0.267,501 0.762,502 1.366,503 0.547,504 0.986,505 0.609,506 0.902,507 0.637,508 1.137,509 0.621,510 0.927,511 0.471,512 0.934,513 1.095,514 0.984,515 0.887,516 0.97,517 0.858,518 0.871,519 1.341,520 0.964,521 0.641,522 0.693,523 1.199,524 0.744,525 1.116,526 0.857,527 0.762,528 0.728,529 1.535,530 0.778,531 1.215,532 1.04,533 0.989,534 0.997,535 1.564,536 1.068,537 0.889,538 0.863,539 0.949,540 0.942,541 1.101,542 1.064,543 0.704,544 1.092,545 0.884,546 1.115,547 0.571,548 1.041,549 5,550 0.074,551 2,552 1.188,553 1.236,554 0.41,555 0.403,556 0.276,557 0.132,558 0.167,559 5940,560 21121,561 1.971,562 41,563 5,564 7,566 1,567 1,569 2,572 1.65,573 1.84,574 3.536,575 -0.241,582 69.376,583 1.779,584 3.602,585 4.302,586 4.599,587 4.702,588 4.805,589 3.121,590 4.263,591 4.488,592 3.703,593 936.979,594 7.694,595 11325.4,600 206.131,601 1.41,602 4.449,603 0.208,604 0.006,605 0.065,606 0.04,607 0.048,608 0.016,609 0.018,610 0.015,611 0.008,612 0.012,613 0.436,614 0.17,615 1,616 1.816,617 111.041,618 -0.062,619 -0.188,620 0.01,621 -0.088,622 -0.056,623 -0.029,624 0.231,625 -0.046,626 0.083,627 -0.017,628 0.23,629 -0.028,630 -0.005,631 -0.037,632 0.084,633 -0.004,634 0.027,635 0.097,636 -0.164,637 -0.002,638 0.216,639 0.238,640 -0.059,641 0.193,642 -0.034,643 0.188,644 0.023,645 0.171,646 -0.123,647 0.128,648 -0.239,649 -0.029,650 -0.153,651 -0.051,652 -0.273,653 -0.131,654 0.097,655 0.062,656 -0.055,657 0.041,658 -0.032,659 -0.069,660 0.119,661 -0.176,662 0.085,663 -0.112,664 0.109,665 -0.004,666 2.144,667 4.535,668 0.522,669 24.087,670 1.023,671 1.124,672 3.293,673 10.843,674 0.697,675 3.219,676 3.466,677 3.611,678 3.784,679 3.97,680 3.892,681 3.932,682 4.025,683 4.007,684 4.043,685 6.877,686 0.668,687 355.24,688 3.219,689 4.71,690 5.501,691 6.333,692 7.146,693 7.983,694 8.806,695 9.646,696 10.475,697 11.316,698 5.1,705 1,708 1,715 6,716 1,720 5,722 12,737 1,739 1,740 2,741 39,743 13,744 1,745 24,747 40,748 16,749 11,750 2,751 4,756 2,757 2,758 2,763 1,770 2,772 12,773 4,777 1,782 1,786 1,793 16,794 5,795 1,796 7,797 2,802 2,808 1,809 3,822 1,829 2,859 2,864 1,865 2,868 23,876 3,877 1,878 2,892 2,893 7.7,896 1,898 2,901 12.5,902 7.236,903 5.278,904 2.452,907 2.289,908 1.352,909 0.934,910 6.957,911 8.798,912 3.466,913 3.989,914 4.425,915 4.918,916 5.436,917 5.446,918 5.7,919 6.086,920 6.332,921 6.63,922 1,923 30,924 8.433,926 3.41,927 0.026,929 7.944,931 15.69,933 11.919,936 2.444,937 56.222,941 176.567,942 101.494,943 34.796,944 78.297,945 47.145,948 101.494,949 302.009,950 34.796,951 8.825,952 25.186,953 47.381,954 53.702,955 48.535,956 11.577,957 164.795,958 78.297,959 176.567,960 136.29,961 47.145,962 78.297,964 153.024,965 70.687,968 43.058,969 76.446,970 95.083,972 176.567,973 81.941,974 179.791,977 176.567,978 36.24,979 65.254,980 18.011,981 142.228,982 176.567,983 81.941,984 179.791,986 0.561,987 0.305,988 0.155,989 0.086,990 12,991 6,992 0.175,993 7,995 1,996 3.62,997 161.899,999 12,1000 100.042,1005 17.854,1006 8.962,1007 5.898,1009 81.941,1010 9.546,1011 4.004,1015 1.928,1017 18.011,1018 438.299,1019 31,1024 11.535,1028 -0.477,1031 39.902,1032 43.834,1034 0.337,1035 0.682,1036 0.814,1037 0.87,1038 0.89,1039 0.909,1040 4.654,1041 1,1042 5.451,1043 3.002,1044 4.143,1045 4.673,1046 2.399,1047 6.151,1048 3.958,1049 5.827,1050 0.71,1051 6.942,1052 2.275,1053 3.611,1054 4.388,1055 1.784,1056 6.804,1057 3.215,1058 7.101,1059 0.433,1060 8.526,1061 1.28,1062 5.631,1063 6.767,1064 3.523,1065 9.828,1066 5.262,1067 8.405,1069 10.163,1070 0.976,1071 5.861,1072 7.225,1073 3.59,1074 11.258,1075 5.257,1076 9.736,1077 -0.37,1078 11.832,1080 7.358,1081 9.119,1082 4.911,1083 13.788,1084 6.79,1085 11.086,1086 -0.514,1087 13.524,1088 -0.629,1089 7.967,1090 9.939,1091 5.289,1092 15.577,1093 7.169,1094 12.45,1095 -0.597,1096 15.232,1097 -1.242,1098 9.225,1099 11.606,1100 6.388,1101 17.906,1102 8.442,1103 2.895,1104 -1,1105 16.954,1106 -1.522,1107 10.037,1108 12.631,1109 6.93,1110 19.88,1111 9.041,1112 2.668,1113 8.877,1114 18.686,1115 -2.412,1116 11.18,1117 14.172,1118 7.902,1119 22.119,1120 10.17,1121 2.373,1122 7.548,1123 20.428,1124 3.902,1125 12.1,1126 15.32,1127 8.539,1128 24.189,1129 10.9,1130 2.106,1131 6.692,1132 22.176,1133 3.628,1134 13.188,1135 16.785,1136 9.436,1137 26.39,1138 11.945,1139 1.927,1140 5.709,1141 23.932,1142 2.96,1143 14.167,1144 18.009,1145 10.13,1146 28.511,1147 12.755,1148 1.561,1149 5.302,1150 25.693,1151 2.745,1152 15.23,1153 19.428,1154 10.981,1155 30.696,1156 13.752,1157 1.412,1158 3.651,1159 27.459,1160 2.502,1161 16.241,1162 20.7,1163 11.71,1164 32.843,1165 14.609,1166 6050,1167 11662,1168 15.603,1169 27.182,1170 34.431,1171 35.934,1172 35.529,1173 34.459,1174 34.174,1175 44.11,1176 6.825,1177 90.624,1178 30.912,1179 5.159,1180 5.664,1181 6.005,1182 4.884,1183 4.895,1184 6.902,1185 3.889,1186 15.195,1187 4.581,1188 12.564,1189 1.435,1190 1.497,1191 1.48,1192 1.436,1193 1.424,1194 1.838,1195 0.284,1196 3.776,1197 1.288,1198 3.946,1199 3.96,1200 4.084,1201 3.843,1202 7.435,1203 3.851,1204 3.813,1205 3.836,1206 3.841,1207 3.733,1208 5.131,1209 3.731,1210 3.705,1211 3.774,1212 3.591,1213 3.543,1214 4.848,1215 3.531,1216 3.411,1217 3.461,1218 3.557,1219 3.122,1220 4.639,1221 3.162,1222 3.081,1223 3.12,1224 3.305,1225 2.89,1226 4.461,1227 2.893,1228 2.949,1229 2.959,1230 3.064,1231 2.78,1232 4.258,1233 2.775,1234 2.854,1235 2.925,1236 2.852,1237 2.735,1238 4.15,1239 2.715,1240 2.801,1241 2.849,1242 2.687,1243 2.611,1244 3.907,1245 2.627,1246 0.177,1247 0.153,1248 0.254,1249 0.158,1250 0.121,1251 4.259,1252 0.163,1253 3.664,1254 0.091,1255 6.094,1256 0.37,1257 3.788,1258 0.108,1259 2.895,1260 3.902,1261 2.186,1262 8.877,1263 2.581,1264 1.878,1265 1.862,1266 1.979,1267 2,1268 1.254,1269 1.989,1270 1.764,1271 1.745,1272 1.963,1273 1.905,1274 1.042,1275 1.923,1276 1.698,1277 1.628,1278 1.797,1279 1.861,1280 0.889,1281 1.865,1282 1.308,1283 1.245,1284 1.607,1285 1.614,1286 0.754,1287 1.606,1288 0.992,1289 0.965,1290 1.208,1291 1.294,1292 0.258,1293 1.276,1294 0.886,1295 0.83,1296 1.181,1297 1.066,1298 0.218,1299 1.107,1300 0.845,1301 0.821,1302 1.017,1303 1.062,1304 0.095,1305 1.048,1306 0.733,1307 0.685,1308 0.962,1309 0.938,1310 0.02,1311 0.963,1312 3.892,1314 5.153,1316 6.597,1318 8.128,1320 9.706,1322 2.049,1323 11.768,1328 2.515,1329 2.667,1330 10.687,1340 26.057,1341 69.376,1342 140.482,1343 167.766,1344 179.376,1345 183.376,1346 187.376,1347 43.393,1348 6.509,1349 60.45,1350 60.45,1351 12,1352 11.883,1353 3.807,1354 3,1355 45.714,1356 96,1357 104,1358 0.237,1359 171.212,1360 299.15,1361 409.518,1362 5312,1363 5.1,1364 16.656,1365 0.724,1366 0.61,1367 17.656,1368 14.025,1369 11.08,1370 0.462,1371 0.329,1372 7.083,1373 10.042,1374 6.871,1375 5.751,1376 11.657,1377 7.884,1378 9.615,1379 0.31,1380 0.178,1381 10.394,1382 5.527,1383 7.248,1384 0.201,1385 0.092,1386 7.863,1387 3.3,1388 5.639,1389 0.131,1390 0.049,1391 6.32,1392 2.094,1393 4.417,1394 0.085,1395 0.023,1396 4.824,1397 1.214,1398 0.385,1399 75.948,1400 0.253,1401 23.312,1402 0.615,1403 110,1404 407.591,1405 155.552,1406 442.608,1407 573.21,1408 410,1409 122,1410 371.062,1411 157.899,1412 386.956,1413 562.41,1414 363,1415 4.301}
{0 CHEMBL241536,1 1.281,2 11.528,3 4.408,4 19.43,5 145.54,6 5.8,8 4.505,9 4.644,10 3.859,11 4.021,12 5.351,13 3.946,14 5.182,15 5.393,16 4.363,17 4.558,18 5.905,19 4.467,20 5.598,21 5.793,22 4.644,23 4.934,24 6.399,25 4.813,26 5.981,27 6.248,28 4.654,29 5.092,30 6.716,31 4.918,32 6.02,33 6.307,34 4.58,35 5.061,36 6.77,37 4.87,38 5.961,39 6.262,40 4.392,41 4.952,42 6.717,43 4.737,44 5.786,45 6.095,46 4.262,47 4.801,48 6.485,49 4.587,50 5.645,51 5.939,52 4.143,53 4.663,54 6.397,55 4.453,56 0.103,57 1.195,58 22.255,59 9.367,60 14.298,61 13.25,62 0.337,63 2.131,64 42.315,65 16.725,66 25.858,67 24.099,68 0.404,69 3.18,70 64.317,71 25.487,72 51.447,73 36.61,74 0.856,75 4.011,76 90.074,77 32.725,78 89.077,79 48.135,80 0.856,81 3.945,82 91.971,83 33.286,84 106.036,85 48.812,86 1.005,87 3.597,88 85.614,89 30.719,90 131.216,91 45.249,92 0.596,93 3.066,94 70.949,95 26.422,96 82.732,97 38.9,98 0.71,99 2.691,100 62.702,101 22.631,102 90.182,103 33.49,104 127,105 67,106 0.196,107 0.435,108 0.705,109 0.808,110 0.834,111 0.834,112 3.617,113 1.08,114 -5.69,115 -5.56,116 -5.19,121 36,122 7,123 6,124 4,125 4,126 2,127 1,129 3,137 1,138 1,158 1,160 1,176 21,179 1,180 9,185 2,187 34,192 15,197 2,200 35,206 14,209 1,211 5,214 29,219 12,224 2,227 30,231 1,232 9,235 1,237 2,239 27,244 5,249 2,251 21,255 2,256 10,261 2,264 14,269 6,274 2,277 9,281 1974,282 22.616,283 22.616,284 22.616,285 22.616,286 22.616,287 22.032,288 31.008,289 11.999,290 22.885,291 19.592,292 19.592,293 19.592,294 19.592,295 19.592,296 18.584,297 45.866,298 5.53,299 20.021,300 5.146,301 3.581,302 1.817,303 1.14,304 0.975,305 0.975,306 4.306,312 1,313 894,314 5.05,317 53.835,318 178.117,319 57.1,321 89.19,322 103.635,323 192.016,325 1.753,326 40.253,329 0.75,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.94,337 76,338 415,339 4.997,340 4.086,341 8.709,342 4.991,343 3.992,344 4.009,345 2.178,346 17.648,347 3.987,348 4.674,349 3.846,350 7.871,351 4.613,352 3.624,353 3.793,354 1.835,355 14.632,356 3.587,357 4.381,358 3.642,359 7.11,360 4.267,361 3.285,362 3.524,363 0.8,364 11.664,365 3.223,366 4.047,367 3.588,368 7.037,369 3.995,370 3.004,371 3.126,372 0.68,373 11.419,374 2.981,375 3.794,376 3.052,377 6.35,378 3.674,379 2.682,380 2.866,381 0.413,382 9.194,383 2.664,384 3.635,385 2.853,386 6.043,387 3.406,388 2.406,389 2.782,391 8.076,392 2.401,393 3.433,394 2.582,395 5.949,396 3.33,397 2.344,398 2.443,400 7.952,401 2.302,402 3.169,403 2.381,404 5.369,405 3.028,406 2.085,407 2.196,409 6.093,410 1.955,411 3.09,412 2.275,413 5.16,414 2.935,415 1.96,416 2.09,418 5.851,419 1.907,420 2.771,421 2.121,422 4.873,423 2.544,424 1.603,425 1.751,427 4.603,428 1.529,429 2.592,430 1.86,431 4.601,432 2.467,433 1.521,434 1.57,436 4.46,437 1.401,438 2.403,439 1.62,440 4.339,441 2.289,442 1.286,443 1.368,445 3.621,446 1.284,447 2.007,448 1.347,449 3.956,450 1.904,451 0.938,452 0.962,454 2.306,455 0.901,456 1.95,457 1.223,458 3.839,459 1.77,460 0.819,461 0.889,463 2.106,464 0.773,465 1.364,466 0.646,467 3.454,468 1.159,469 0.191,470 0.206,472 0.541,473 0.183,474 17.3,475 0.481,476 1.712,477 0.048,478 26.25,479 0.729,480 4,481 0.111,482 22.25,483 0.618,484 67.373,485 1.871,486 43.3,487 0.503,488 17.172,489 0.477,490 3.184,491 0.088,492 13.447,493 0.374,494 0.299,495 0.116,496 0.312,501 0.804,502 1.432,503 1.056,504 1.317,505 0.821,506 1.227,507 0.856,508 0.972,509 0.878,510 0.926,511 0.633,512 0.901,513 0.979,514 1.395,515 1.191,516 1.358,517 0.992,518 1.303,519 1.164,520 1.085,521 1.117,522 1.095,523 0.926,524 1.098,525 1.191,526 1.006,527 1.036,528 1.02,529 1.33,530 1.016,531 1.143,532 0.925,533 1.026,534 0.949,535 1.349,536 0.976,537 0.865,538 0.931,539 0.906,540 0.944,541 1.062,542 0.933,543 0.962,544 1.054,545 1.024,546 1.048,547 1.243,548 1.046,549 12.5,550 0.401,551 8.889,552 5.986,553 4.298,554 2.644,555 1.454,556 1.097,557 0.57,558 0.534,559 16253,560 27438,561 1.978,562 58.1,563 26,564 12,567 1,568 3,569 7,570 1,572 1.778,573 1.742,574 3.44,575 -0.465,582 110.131,583 1.281,584 2.845,585 4.609,586 5.286,587 5.452,588 5.452,589 2.892,590 4.385,591 5.138,592 3.627,593 2285.11,594 9.056,595 33064.1,600 552.659,601 1.911,602 5.018,603 0.313,604 0.013,605 0.133,606 0.072,607 0.055,608 0.037,609 0.026,610 0.021,611 0.013,612 0.015,613 0.698,614 0.33,615 0.63,616 1.042,617 190.479,618 0.007,619 -0.062,620 0.068,621 0.01,622 -0.088,623 0.038,624 0.039,625 0.249,626 0.195,627 0.24,628 0.03,629 0.236,630 -0.045,631 -0.17,632 -0.113,633 -0.163,634 -0.058,635 -0.147,636 -0.063,637 -0.041,638 -0.093,639 -0.073,640 -0.018,641 -0.083,642 -0.062,643 -0.032,644 -0.036,645 -0.035,646 -0.045,647 -0.033,648 -0.015,649 0.012,650 -0.041,651 0.005,652 -0.003,653 -0.018,654 -0.002,655 0.008,656 0.047,657 0.024,658 -0.015,659 0.038,660 0.059,661 -0.09,662 -0.041,663 -0.072,664 0.008,665 -0.069,666 1.688,667 6.937,668 0.611,669 35.176,670 0.981,671 1.135,672 4.465,673 19.936,674 0.612,675 3.714,676 4.22,677 4.585,678 4.92,679 5.231,680 5.46,681 5.677,682 5.894,683 6.084,684 6.306,685 6.697,686 0.556,687 498.83,688 3.714,689 5.371,690 6.297,691 7.272,692 8.223,693 9.199,694 10.161,695 11.138,696 12.106,697 13.084,698 2.3,701 1,707 1,741 86,743 3,745 40,747 90,748 31,756 5,757 15,763 7,764 4,766 3,767 8,768 4,770 9,772 4,773 27,774 4,777 3,782 1,784 1,785 1,786 3,793 50,794 5,795 1,796 5,802 2,808 0.2,809 3,811 1,828 1,829 3,830 1,832 1,833 1,834 2,841 1,849 1,850 1,855 1,857 1,858 1,859 1,864 9,868 36,875 1,876 7,878 1,880 7,881 1,882 4,893 3.5,894 1,896 1,898 1,901 20.667,902 17.85,903 7.271,904 5.567,907 0.791,908 1.086,909 0.872,910 6.265,911 9.939,912 3.784,913 4.331,914 4.745,915 5.13,916 5.517,917 5.787,918 6.057,919 6.342,920 6.597,921 6.839,922 0.875,923 83,924 13.639,926 6.189,927 0.026,929 7.481,931 27.355,933 25.429,936 1.981,937 71.333,941 576.784,942 120.979,943 19.91,945 78.828,948 120.979,949 655.612,950 19.91,951 78.569,952 19.8,953 52.16,954 35.093,955 34.095,957 576.784,959 576.784,960 140.889,961 78.828,964 482.615,965 130.314,966 42.683,968 101.486,969 29.926,970 9.476,972 576.784,973 98.738,974 120.979,977 576.784,978 32.933,979 91.17,981 95.614,982 576.784,983 98.738,984 120.979,986 0.633,987 0.387,988 0.2,989 0.113,990 38,991 19,992 0.033,993 3,994 4,995 1.364,996 4.054,997 400.948,998 0.364,999 22,1000 177.362,1005 26.576,1006 8.487,1007 3.774,1009 98.738,1017 42.683,1018 796.501,1019 43,1024 13.937,1026 2.443,1027 5.153,1028 2.812,1031 84.392,1032 97.59,1034 0.199,1035 0.443,1036 0.717,1037 0.823,1038 0.848,1039 0.848,1040 5.215,1041 2.085,1042 6.438,1043 7.952,1044 4.905,1045 5.017,1046 2.802,1047 7.498,1048 4.871,1049 6.477,1050 1.96,1051 8.181,1052 6.093,1053 5.094,1054 5.198,1055 2.416,1056 9.176,1057 5.066,1058 7.875,1059 1.603,1060 10.047,1061 5.851,1062 6.849,1063 7.048,1064 3.802,1065 12.349,1066 6.803,1067 9.303,1068 1.521,1069 11.986,1070 4.603,1071 7.771,1072 7.938,1073 4.075,1074 14.802,1075 7.732,1076 10.765,1077 1.286,1078 13.973,1079 4.46,1080 9.183,1081 9.424,1082 5.099,1083 17.69,1084 9.134,1085 12.251,1086 0.938,1087 15.994,1088 3.621,1089 10.371,1090 10.583,1091 5.633,1092 20.4,1093 10.325,1094 13.756,1095 0.819,1096 18.041,1097 2.306,1098 11.71,1099 11.967,1100 6.51,1101 23.24,1102 11.658,1103 3.992,1104 0.191,1105 20.107,1106 2.106,1107 12.994,1108 13.236,1109 7.163,1110 26.039,1111 12.943,1112 3.624,1113 17.648,1114 22.188,1115 0.541,1116 14.326,1117 14.592,1118 7.977,1119 28.879,1120 14.273,1121 3.285,1122 14.632,1123 24.283,1124 4.009,1125 15.649,1126 15.909,1127 8.688,1128 31.712,1129 15.596,1130 3.004,1131 11.664,1132 26.387,1133 3.793,1134 16.989,1135 17.261,1136 9.475,1137 34.56,1138 16.935,1139 2.682,1140 11.419,1141 28.501,1142 3.524,1143 18.33,1144 18.6,1145 10.215,1146 37.409,1147 18.276,1148 2.406,1149 9.194,1150 30.621,1151 3.126,1152 19.679,1153 19.955,1154 10.993,1155 40.264,1156 19.626,1157 2.344,1158 8.076,1159 32.747,1160 2.866,1161 21.031,1162 21.307,1163 11.748,1164 43.121,1165 20.978,1166 15717,1167 20455,1168 24.561,1169 52.648,1170 64.367,1171 66.184,1172 68.82,1173 63.548,1174 63.596,1175 67.259,1176 11.813,1177 220.648,1178 62.26,1179 5.997,1180 6.072,1181 7.98,1182 6.101,1183 5.992,1184 6.544,1185 3.677,1186 27.457,1187 5.987,1188 26.159,1189 1.609,1190 1.655,1191 1.72,1192 1.589,1193 1.59,1194 1.681,1195 0.295,1196 5.516,1197 1.557,1198 4.134,1199 4.168,1200 4.053,1201 4.055,1202 7.426,1203 4.049,1204 3.977,1205 4.012,1206 3.9,1207 3.882,1208 6.449,1209 3.88,1210 3.775,1211 3.826,1212 3.67,1213 3.651,1214 4.869,1215 3.647,1216 3.672,1217 3.737,1218 3.545,1219 3.532,1220 4.47,1221 3.526,1222 3.534,1223 3.599,1224 3.395,1225 3.366,1226 4.374,1227 3.362,1228 3.444,1229 3.503,1230 3.294,1231 3.302,1232 4.251,1233 3.288,1234 3.368,1235 3.421,1236 3.227,1237 3.213,1238 4.171,1239 3.209,1240 3.233,1241 3.326,1242 3.03,1243 3.051,1244 3.96,1245 3.033,1246 0.125,1247 0.102,1248 0.218,1249 0.125,1250 0.1,1251 4.997,1252 0.1,1253 4.086,1254 0.054,1255 8.709,1256 0.441,1257 4.991,1258 0.1,1259 3.992,1260 4.009,1261 2.178,1262 17.648,1263 3.987,1264 1.985,1265 1.954,1266 2.125,1267 2.104,1268 1.573,1269 2.111,1270 1.964,1271 1.931,1272 2.115,1273 2.072,1274 1.521,1275 2.087,1276 1.757,1277 1.705,1278 1.969,1279 1.939,1280 1.337,1281 1.951,1282 1.744,1283 1.694,1284 1.964,1285 1.892,1286 1.189,1287 1.92,1288 1.505,1289 1.455,1290 1.762,1291 1.707,1292 1.085,1293 1.725,1294 1.48,1295 1.406,1296 1.747,1297 1.664,1298 1.031,1299 1.697,1300 1.426,1301 1.359,1302 1.703,1303 1.63,1304 0.932,1305 1.658,1306 1.295,1307 1.233,1308 1.603,1309 1.503,1310 0.832,1311 1.536,1312 4.394,1314 5.855,1315 2.398,1316 7.51,1317 5.13,1318 9.263,1319 7.516,1320 11.071,1322 20.094,1327 11.428,1328 6.118,1330 6.345,1332 1.074,1333 2.227,1334 -0.297,1340 47.83,1341 110.131,1342 244.664,1343 396.381,1344 454.581,1345 468.845,1346 468.845,1347 103.538,1348 9.148,1349 62.13,1350 62.13,1351 30,1352 13.557,1353 2,1354 2,1355 54.341,1356 148,1357 144,1358 0.191,1359 287.961,1360 523.51,1361 694.385,1362 123189,1364 26.422,1365 0.734,1366 0.673,1367 26.422,1368 24.227,1369 16.632,1370 0.416,1371 0.36,1372 14.285,1373 16.203,1374 13.474,1375 11.205,1376 16.632,1377 14.405,1378 17.894,1379 0.267,1380 0.224,1381 17.894,1382 15.036,1383 15.253,1384 0.157,1385 0.123,1386 15.253,1387 11.946,1388 12.967,1389 0.095,1390 0.07,1391 12.967,1392 9.488,1393 10.827,1394 0.058,1395 0.04,1396 10.827,1397 7.37,1398 0.291,1399 103.004,1400 0.202,1401 31.812,1402 0.551,1403 214,1404 406.911,1405 225.663,1406 393.901,1407 542.78,1408 368,1409 271,1410 400.589,1411 284.467,1412 415.83,1413 618.29,1414 385,1415 6.455}
{0 CHEMBL241548,1 1.797,2 12.462,3 4.608,4 21.231,5 88.173,6 8.52,7 0.429,8 3.888,9 3.983,10 3.546,11 3.361,12 5.086,13 3.394,14 4.461,15 4.608,16 3.989,17 3.715,18 6.141,19 3.736,20 4.67,21 4.868,22 3.914,23 3.788,24 5.869,25 3.784,26 4.677,27 4.888,28 3.801,29 3.608,30 6.07,31 3.632,32 4.372,33 4.555,34 3.616,35 3.486,36 5.703,37 3.503,38 4.25,39 4.401,40 3.529,41 3.526,42 5.602,43 3.481,44 4.301,45 4.517,46 3.407,47 3.535,48 5.377,49 3.433,50 4.277,51 4.515,52 3.404,53 3.338,54 5.464,55 3.293,56 0.216,57 0.808,58 6.685,59 4.16,60 30.897,61 4.401,62 1.076,63 1.569,64 16.065,65 6.683,66 148.194,67 7.575,68 0.778,69 1.325,70 22.608,71 8.325,72 70.985,73 10.178,74 1.278,75 1.273,76 26.504,77 7.467,78 143.827,79 8.395,80 0.842,81 0.961,82 17.734,83 5.743,84 99.129,85 6.314,86 0.768,87 0.825,88 13.224,89 5.623,90 66.849,91 6.583,92 0.508,93 0.912,94 15.363,95 6.807,96 46.611,97 8.978,98 0.498,99 0.939,100 16.665,101 6.198,102 48.299,103 8.002,104 18,105 39,106 0.315,107 0.61,108 0.716,109 0.777,110 0.794,111 0.81,112 3.303,113 0.878,114 -4.87,115 -4.78,116 -4.48,121 41.9,123 3,127 2,134 1,144 6,145 1,146 2,147 1,149 1,161 1,176 6,179 4,180 9,187 4,192 7,200 2,206 11,214 2,218 1,219 8,227 4,239 8,243 3,244 1,251 8,256 1,264 2,268 2,269 5,281 1012,282 17.126,283 17.126,284 17.126,285 17.126,286 17.126,287 15.587,288 21.468,289 10.123,290 17.781,291 13.835,292 13.835,293 13.835,294 13.835,295 13.835,296 11.484,297 23.408,298 4.846,299 14.994,300 3.629,301 1.951,302 1.344,303 0.994,304 0.901,305 0.808,306 3.983,311 1,312 1,313 686,314 3.674,318 294.823,325 2.195,326 45.746,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 60.5,338 324,339 4.44,340 4.46,341 7.111,342 4.168,343 3.314,344 3.846,345 3.825,346 11.657,347 2.856,348 4.114,349 3.786,350 6.051,351 3.772,352 2.843,353 3.655,354 2.208,355 8.696,356 2.627,357 3.94,358 3.073,359 5.613,360 3.605,361 2.68,362 3.203,363 0.86,364 7.77,365 2.484,366 3.757,367 2.703,368 5.323,369 3.342,370 2.415,371 3.062,372 0.655,373 6.901,374 2.203,375 3.382,376 2.393,377 4.984,378 2.999,379 2.069,380 2.637,381 0.13,382 5.948,383 1.91,384 2.919,385 2.287,386 4.557,387 2.697,388 1.709,389 2.016,391 4.611,392 1.677,393 2.876,394 1.909,395 4.184,396 2.466,397 1.555,398 1.885,400 3.909,401 1.376,402 2.5,403 1.411,404 3.45,405 2.004,406 1.04,407 1.5,409 2.486,410 1,411 2.5,412 1.077,413 3.414,414 2,415 1,416 1.5,418 2.275,419 0.988,420 2.185,421 1,422 3.414,423 1.984,424 1,425 1.129,427 2.275,428 0.983,429 2,430 1,431 3.247,432 1.959,433 1,434 1,436 2.136,437 0.956,438 1.547,439 0.907,440 3.036,441 1.17,442 0.259,443 0.316,445 0.655,446 0.233,447 1.128,448 0.51,449 2.71,450 0.72,451 -0.205,452 -0.254,454 -0.516,455 -0.187,456 0.704,457 0.51,458 2.524,459 0.273,460 -0.661,461 -0.741,463 -1.576,464 -0.607,465 0.5,466 0.446,467 2,468 0.254,469 -0.768,470 -0.946,472 -1.75,473 -0.7,474 11.657,475 0.448,476 0.757,477 0.029,478 31.75,479 1.221,480 14.5,481 0.558,482 17.25,483 0.663,484 19.628,485 0.755,486 29.743,487 0.692,488 25.03,489 0.963,490 6.355,491 0.244,492 6.06,493 0.233,494 0.102,495 0.043,496 0.249,498 3,501 0.636,502 1.077,503 0.619,504 1.214,505 0.571,506 1.005,507 0.459,508 0.754,509 0.715,510 1.037,511 0.338,512 1.012,513 0.77,514 0.896,515 0.802,516 1.098,517 0.513,518 1.008,519 1.282,520 0.786,521 1.108,522 0.803,523 1.147,524 0.854,525 1.119,526 0.746,527 1.02,528 0.742,529 1.15,530 0.802,531 0.524,532 0.616,533 1.023,534 1.018,535 0.595,536 1.201,537 0.265,538 0.745,539 0.77,540 1.181,541 0.309,542 1.235,543 0.631,544 1.033,545 0.69,546 1.182,547 0.542,548 1.046,549 6.5,550 0.136,551 2.889,552 1.438,553 1.196,554 0.694,555 0.363,556 0.378,557 0.23,558 0.17,559 8986,560 32377,561 2.027,562 39.5,563 2,564 10,566 1,569 4,572 1.682,573 1.891,574 3.579,575 -0.684,582 77.274,583 1.797,584 3.475,585 4.083,586 4.432,587 4.525,588 4.618,589 3.123,590 3.95,591 4.671,592 3.804,593 1236.41,594 8.046,595 16414.6,597 1,600 233.329,601 1.542,602 4.619,603 0.232,604 0.009,605 0.074,606 0.039,607 0.039,608 0.025,609 0.015,610 0.017,611 0.011,612 0.009,613 0.469,614 0.33,615 1,616 0.777,617 130.922,618 -0.04,619 -0.143,620 0.04,621 -0.13,622 -0.062,623 -0.042,624 0.398,625 0.249,626 0.122,627 -0.036,628 0.442,629 -0.079,630 -0.047,631 -0.178,632 0.111,633 -0.141,634 0.056,635 0.003,636 -0.18,637 0.074,638 -0.051,639 0.106,640 -0.106,641 0.09,642 -0.183,643 0.04,644 -0.071,645 0.194,646 -0.193,647 0.146,648 0.169,649 0.131,650 -0.215,651 -0.02,652 0.023,653 -0.222,654 0.232,655 -0.067,656 0.094,657 -0.154,658 0.112,659 -0.128,660 0.073,661 -0.274,662 0.292,663 -0.191,664 0.108,665 0.046,666 5.689,667 5.027,668 0.692,669 27.988,670 1.039,671 1.148,672 3.64,673 13.246,674 0.652,675 3.367,676 3.689,677 3.85,678 4.007,679 4.205,680 4.174,681 4.263,682 4.317,683 4.344,684 4.394,685 7.441,686 0.653,687 366.37,688 3.367,689 4.905,690 5.72,691 6.581,692 7.41,693 8.269,694 9.104,695 9.962,696 10.799,697 11.656,698 4.7,705 1,708 1,715 7,716 1,720 4,722 12,737 1,739 1,741 43,743 13,744 1,745 28,747 45,748 18,749 11,750 2,751 4,756 3,757 3,763 1,767 3,769 1,770 3,772 12,773 6,777 1,782 1,786 1,790 1,791 3,793 17,794 8,796 8,802 2,808 1,809 3,822 1,829 3,859 3,866 3,868 26,876 5,878 2,881 1,882 1,892 3,893 7,896 1,898 2,901 13.75,902 7.662,903 5.611,904 2.661,907 2.245,908 1.318,909 0.961,910 5.674,911 9.297,912 3.584,913 4.111,914 4.549,915 5.009,916 5.518,917 5.595,918 5.909,919 6.216,920 6.483,921 6.808,922 1,923 37,924 10.053,926 4.708,927 0.026,929 8.349,931 17.592,933 14.149,936 2.849,937 74.083,940 1,941 200.109,942 110.729,943 19.91,945 47.145,946 44.88,948 110.729,949 247.253,950 64.79,952 14.939,953 56.857,954 53.702,955 89.6,956 11.577,957 188.338,958 7.76,959 200.109,960 130.639,961 92.025,964 153.024,965 139.109,968 31.746,969 82.107,970 16.786,972 244.989,973 67.055,974 110.729,977 207.868,978 37.065,979 69.029,981 108.811,982 200.109,983 111.935,984 110.729,986 0.588,987 0.32,988 0.155,989 0.083,990 18,991 8,992 0.089,993 4,995 1,996 3.895,997 203.144,999 18,1000 109.457,1005 18.529,1006 7.962,1007 5.124,1009 111.935,1010 8.979,1011 3.638,1015 -0.066,1018 422.773,1019 35,1024 12.027,1028 -0.386,1031 44.676,1032 49.381,1034 0.331,1035 0.64,1036 0.752,1037 0.817,1038 0.834,1039 0.851,1040 4.828,1041 1.04,1042 5.733,1043 3.909,1044 4.369,1045 4.796,1046 3.45,1047 6.526,1048 4.21,1049 6.022,1050 1,1051 7.294,1052 2.486,1053 4.111,1054 4.575,1055 4.006,1056 7.644,1057 3.722,1058 7.323,1059 1,1060 8.968,1061 2.275,1062 6.009,1063 6.866,1064 5.561,1065 10.587,1066 5.645,1067 8.655,1068 1,1069 10.713,1070 2.275,1071 6.538,1072 7.367,1073 6.735,1074 12.531,1075 5.917,1076 10.018,1077 0.259,1078 12.506,1079 2.136,1080 7.968,1081 9.205,1082 8.102,1083 15.092,1084 7.349,1085 11.4,1086 -0.205,1087 14.333,1088 0.655,1089 8.844,1090 10.038,1091 9.406,1092 17.349,1093 7.981,1094 12.799,1095 -0.661,1096 16.186,1097 -0.516,1098 10.1,1099 11.667,1100 10.748,1101 19.816,1102 9.193,1103 3.314,1104 -0.768,1105 18.06,1106 -1.576,1107 11.136,1108 12.684,1109 12.081,1110 22.193,1111 10.009,1112 2.843,1113 11.657,1114 19.95,1115 -1.75,1116 12.33,1117 14.198,1118 13.421,1119 24.641,1120 11.118,1121 2.68,1122 8.696,1123 21.853,1124 3.846,1125 13.442,1126 15.326,1127 14.76,1128 27.065,1129 12.031,1130 2.415,1131 7.77,1132 23.767,1133 3.655,1134 14.619,1135 16.772,1136 16.101,1137 29.512,1138 13.092,1139 2.069,1140 6.901,1141 25.689,1142 3.203,1143 15.767,1144 17.972,1145 17.442,1146 31.954,1147 14.058,1148 1.709,1149 5.948,1150 27.618,1151 3.062,1152 16.942,1153 19.375,1154 18.783,1155 34.404,1156 15.098,1157 1.555,1158 4.611,1159 29.553,1160 2.637,1161 18.109,1162 20.622,1163 20.125,1164 36.853,1165 16.092,1166 8724,1167 16884,1168 18.375,1169 28.04,1170 42.316,1171 41.821,1172 41.91,1173 42.045,1174 41.767,1175 51.499,1176 15.356,1177 118.64,1178 38.583,1179 5.44,1180 6.46,1181 6.913,1182 5.268,1183 5.314,1184 6.846,1185 5.529,1186 18.535,1187 4.856,1188 13.515,1189 1.511,1190 1.494,1191 1.497,1192 1.502,1193 1.492,1194 1.839,1195 0.548,1196 4.237,1197 1.378,1198 3.964,1199 3.989,1200 3.923,1201 3.845,1202 8.513,1203 3.857,1204 3.86,1205 3.907,1206 3.81,1207 3.736,1208 7.999,1209 3.747,1210 3.81,1211 3.85,1212 3.703,1213 3.673,1214 7.999,1215 3.669,1216 3.348,1217 3.367,1218 3.348,1219 3.043,1220 7.433,1221 3.105,1222 3.279,1223 3.314,1224 3.236,1225 2.968,1226 5.003,1227 3.027,1228 3.111,1229 3.206,1230 2.866,1231 2.941,1232 4.767,1233 2.91,1234 2.904,1235 2.945,1236 2.824,1237 2.735,1238 4.357,1239 2.715,1240 2.854,1241 2.925,1242 2.687,1243 2.684,1244 4.223,1245 2.704,1246 0.159,1247 0.159,1248 0.254,1249 0.149,1250 0.118,1251 4.44,1252 0.137,1253 4.46,1254 0.137,1255 7.111,1256 0.416,1257 4.168,1258 0.102,1259 3.314,1260 3.846,1261 3.825,1262 11.657,1263 2.856,1264 1.886,1265 1.868,1266 2.043,1267 2.032,1268 1.393,1269 2.03,1270 1.817,1271 1.777,1272 1.976,1273 1.997,1274 1.044,1275 1.991,1276 1.792,1277 1.743,1278 1.892,1279 1.914,1280 0.959,1281 1.91,1282 1.17,1283 1.148,1284 1.513,1285 1.491,1286 0.825,1287 1.439,1288 1.153,1289 1.064,1290 1.379,1291 1.412,1292 0.611,1293 1.429,1294 1.061,1295 1.033,1296 1.181,1297 1.376,1298 0.22,1299 1.308,1300 0.886,1301 0.821,1302 1.16,1303 1.101,1304 0.218,1305 1.107,1306 0.817,1307 0.773,1308 1.03,1309 1.062,1310 0.062,1311 1.08,1312 4.043,1314 5.361,1316 6.864,1318 8.438,1320 10.047,1324 37.512,1328 4.455,1330 10.696,1333 1.667,1334 -4.439,1340 28.078,1341 77.274,1342 149.439,1343 175.555,1344 190.574,1345 194.574,1346 198.574,1347 57.342,1348 7.053,1349 51.66,1350 51.66,1351 18,1352 12.213,1353 3.807,1354 3,1355 44.809,1356 118,1357 98,1358 0.186,1359 169.933,1360 309.18,1361 406.395,1362 11104,1363 7,1364 18.571,1365 0.714,1366 0.532,1367 16.071,1368 13.83,1369 12.415,1370 0.443,1371 0.293,1372 8.006,1373 11.644,1374 7.95,1375 6.532,1376 11.204,1377 8.196,1378 11.817,1379 0.303,1380 0.151,1381 9.859,1382 5.872,1383 8.864,1384 0.193,1385 0.085,1386 7.928,1387 3.929,1388 6.86,1389 0.127,1390 0.047,1391 6.161,1392 2.547,1393 5.439,1394 0.082,1395 0.026,1396 5.174,1397 1.72,1398 0.303,1399 79.978,1400 0.233,1401 25.843,1402 0.478,1403 134,1404 640.83,1405 166.224,1406 522.933,1407 676.04,1408 484,1409 152,1410 473.464,1411 176.939,1412 450.5,1413 677.36,1414 422,1415 4.301}
{0 CHEMBL241552,1 1.758,2 13.345,3 5.753,4 33.1,5 100.85,6 8.748,7 0.581,8 3.948,9 4.037,10 3.629,11 3.46,12 5.214,13 3.49,14 4.462,15 4.597,16 4.069,17 3.785,18 6.185,19 3.817,20 4.606,21 4.747,22 4.045,23 3.875,24 5.941,25 3.898,26 4.729,27 4.908,28 3.962,29 3.814,30 6.158,31 3.831,32 4.612,33 4.803,34 3.821,35 3.775,36 5.913,37 3.751,38 4.587,39 4.796,40 3.678,41 3.702,42 5.876,43 3.645,44 4.35,45 4.553,46 3.555,47 3.635,48 5.5,49 3.558,50 4.314,51 4.506,52 3.594,53 3.542,54 5.59,55 3.509,56 0.204,57 0.833,58 6.414,59 4.317,60 25.937,61 4.393,62 1.05,63 1.622,64 15,65 6.751,66 141.731,67 7.208,68 0.605,69 1.398,70 16.804,71 8.028,72 48.34,73 8.47,74 1.162,75 1.53,76 23.799,77 8.277,78 120.882,79 8.285,80 0.794,81 1.237,82 20.58,83 8.118,84 87.259,85 9.333,86 1.105,87 1.006,88 23.006,89 7.879,90 112.055,91 9.592,92 0.539,93 0.978,94 15.833,95 7.093,96 55.205,97 9.013,98 0.417,99 1.068,100 14.452,101 6.73,102 38.961,103 7.981,104 38,105 44,106 0.3,107 0.581,108 0.715,109 0.816,110 0.845,111 0.86,112 3.407,113 0.829,114 -5.31,115 -5.19,116 -4.85,121 45.7,122 1,126 1,134 1,144 10,145 2,146 3,147 1,149 1,161 1,176 9,179 4,180 9,187 8,192 9,200 6,206 12,214 3,218 1,219 12,227 4,232 2,239 8,243 3,244 1,251 12,256 1,264 8,268 2,269 5,277 2,281 1333,282 18.833,283 18.833,284 18.833,285 18.833,286 18.833,287 16.515,288 22.062,289 10.924,290 19.478,291 15.259,292 15.259,293 15.259,294 15.259,295 15.259,296 11.812,297 25.404,298 5.177,299 16.399,300 3.766,301 2.12,302 1.337,303 0.745,304 0.571,305 0.484,306 4.084,312 1,313 813,314 4.123,318 337.847,325 2.264,326 46.761,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 66.5,338 387,339 4.44,340 4.46,341 7.111,342 4.168,343 3.314,344 3.867,345 3.825,346 11.657,347 2.901,348 4.321,349 3.809,350 6.548,351 3.997,352 3.045,353 3.845,354 2.208,355 10.123,356 2.856,357 4.08,358 3.078,359 5.663,360 3.657,361 2.722,362 3.648,363 0.86,364 7.84,365 2.546,366 3.839,367 2.978,368 5.556,369 3.434,370 2.512,371 3.183,372 0.655,373 7.372,374 2.297,375 3.661,376 2.655,377 5.253,378 3.239,379 2.279,380 2.961,381 0.13,382 6.432,383 2.153,384 3.346,385 2.319,386 4.967,387 2.939,388 2.002,389 2.604,391 5.809,392 1.858,393 2.908,394 1.992,395 4.556,396 2.477,397 1.567,398 2.046,400 4.605,401 1.414,402 2.879,403 1.908,404 4.275,405 2.414,406 1.414,407 2.012,409 3.74,410 1.402,411 2.83,412 1.493,413 3.627,414 2.395,415 1.41,416 1.933,418 2.986,419 1.361,420 2.5,421 1.04,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1,431 3.414,432 1.959,433 1,434 1.5,436 2.275,437 0.956,438 2.01,439 1,440 3.405,441 1.671,442 0.717,443 0.871,445 1.73,446 0.675,447 1.544,448 0.891,449 3.024,450 1.159,451 0.243,452 0.299,454 0.609,455 0.219,456 1.128,457 0.51,458 2.688,459 0.732,460 -0.207,461 -0.257,463 -0.503,464 -0.191,465 1,466 0.51,467 2.508,468 0.684,469 -0.296,470 -0.361,472 -0.644,473 -0.289,474 13.157,475 0.454,476 0.936,477 0.032,478 39.75,479 1.371,480 21,481 0.724,482 18.75,483 0.647,484 20.497,485 0.707,486 31.843,487 0.692,488 32.995,489 1.138,490 8.349,491 0.288,492 5.387,493 0.186,494 0.166,495 0.038,496 0.296,498 3,501 0.636,502 1.018,503 0.61,504 1.122,505 0.601,506 0.943,507 0.471,508 0.699,509 0.625,510 0.886,511 0.373,512 0.846,513 0.87,514 1.025,515 0.863,516 1.203,517 0.596,518 1.091,519 1.278,520 0.848,521 1.235,522 0.929,523 1.129,524 1.017,525 0.821,526 0.806,527 0.987,528 1.053,529 0.851,530 1.08,531 0.662,532 0.454,533 0.94,534 0.737,535 0.692,536 0.905,537 0.356,538 0.66,539 0.751,540 0.984,541 0.393,542 1.054,543 0.658,544 1.064,545 0.791,546 1.246,547 0.579,548 1.15,549 7.5,550 0.173,551 3.778,552 2.125,553 1.627,554 0.833,555 0.626,556 0.42,557 0.267,558 0.238,559 11853,560 44187,561 1.985,562 37,563 3,564 13,566 1,572 1.712,573 1.822,574 3.66,575 -0.717,582 80.849,583 1.758,584 3.403,585 4.187,586 4.779,587 4.953,588 5.04,589 3.108,590 4.418,591 4.83,592 3.904,593 1584.85,594 8.367,595 22926.4,600 254.084,601 1.658,602 4.76,603 0.242,604 0.009,605 0.086,606 0.048,607 0.043,608 0.025,609 0.022,610 0.016,611 0.01,612 0.01,613 0.51,614 0.33,615 1,616 0.805,617 151.443,618 -0.037,619 -0.129,620 0.036,621 -0.116,622 -0.102,623 -0.039,624 0.431,625 0.314,626 0.209,627 0.086,628 0.446,629 0.053,630 -0.098,631 -0.227,632 -0.033,633 -0.24,634 0.009,635 -0.151,636 -0.201,637 0.082,638 -0.247,639 0.001,640 -0.127,641 -0.1,642 -0.048,643 -0.063,644 -0.05,645 -0.101,646 -0.068,647 -0.078,648 0.113,649 0.136,650 0.065,651 0.204,652 0.014,653 0.139,654 0.194,655 0.004,656 0.152,657 0.019,658 0.09,659 0.04,660 0.036,661 -0.248,662 0.129,663 -0.237,664 0.071,665 -0.09,666 5.706,667 5.325,668 0.621,669 32.171,670 1.036,671 1.139,672 4.075,673 16.608,674 0.675,675 3.466,676 3.807,677 3.989,678 4.143,679 4.317,680 4.277,681 4.357,682 4.419,683 4.419,684 4.5,685 7.996,686 0.676,687 402.4,688 3.466,689 5.017,690 5.844,691 6.713,692 7.553,693 8.42,694 9.265,695 10.13,696 10.977,697 11.841,698 4.3,705 1,708 1,715 11,716 1,720 6,722 18,737 1,739 1,741 46,743 19,744 2,745 31,747 48,748 21,749 17,750 4,751 8,756 3,757 3,763 2,769 1,772 18,773 3,777 1,782 1,786 1,791 3,793 17,794 8,796 8,802 2,808 1,809 3,822 1,829 3,859 3,864 2,866 3,868 29,878 2,881 1,882 1,892 3,893 6.5,896 1,898 2,901 15.917,902 8.995,903 6.25,904 2.524,907 3.113,908 1.429,909 0.964,910 6.094,911 10.366,912 3.738,913 4.324,914 4.814,915 5.301,916 5.809,917 5.826,918 6.113,919 6.411,920 6.661,921 7.018,922 0.889,923 44,924 11.117,926 5.113,927 0.026,929 8.325,931 19.301,933 15.119,936 2.825,937 81.917,941 200.109,942 159.983,943 19.91,945 47.145,946 44.88,948 159.983,949 247.253,950 64.79,951 17.222,952 3.124,953 94.762,954 53.702,955 95.542,956 11.577,957 188.338,958 7.76,959 200.109,960 179.893,961 92.025,964 200.109,965 92.025,968 28.756,969 134.351,970 16.786,972 244.989,973 67.055,974 159.983,977 207.868,978 31.192,979 124.156,981 108.811,982 200.109,983 111.935,984 159.983,986 0.594,987 0.333,988 0.16,989 0.083,990 20,991 10,992 0.104,993 5,995 1,996 4.072,997 238.003,999 18,1000 130.127,1005 20.689,1006 8.541,1007 5.272,1009 111.935,1010 16.207,1011 3.642,1015 1.449,1018 472.026,1019 41,1024 12.325,1028 -0.558,1031 47.676,1032 52.381,1034 0.318,1035 0.616,1036 0.758,1037 0.865,1038 0.897,1039 0.912,1040 4.98,1041 1.414,1042 5.872,1043 4.605,1044 4.489,1045 5.011,1046 3.45,1047 6.691,1048 4.348,1049 6.206,1050 1.41,1051 7.454,1052 3.74,1053 4.29,1054 4.82,1055 4.006,1056 7.823,1057 3.966,1058 7.521,1059 1,1060 9.147,1061 2.986,1062 6.151,1063 7.152,1064 5.561,1065 10.797,1066 5.838,1067 8.868,1068 1,1069 10.906,1070 2.275,1071 6.723,1072 7.671,1073 6.735,1074 12.727,1075 6.209,1076 10.242,1077 0.717,1078 12.708,1079 2.275,1080 8.128,1081 9.54,1082 8.102,1083 15.31,1084 7.605,1085 11.635,1086 0.243,1087 14.542,1088 1.73,1089 9.029,1090 10.396,1091 9.406,1092 17.544,1093 8.32,1094 13.043,1095 -0.207,1096 16.398,1097 0.609,1098 10.273,1099 12.047,1100 10.748,1101 20.017,1102 9.52,1103 3.314,1104 -0.296,1105 18.272,1106 -0.503,1107 11.321,1108 13.091,1109 12.081,1110 22.372,1111 10.402,1112 3.045,1113 11.657,1114 20.161,1115 -0.644,1116 12.508,1117 14.62,1118 13.421,1119 24.814,1120 11.515,1121 2.722,1122 10.123,1123 22.06,1124 3.867,1125 13.623,1126 15.776,1127 14.76,1128 27.218,1129 12.48,1130 2.512,1131 7.84,1132 23.969,1133 3.845,1134 14.794,1135 17.232,1136 16.101,1137 29.655,1138 13.555,1139 2.279,1140 7.372,1141 25.885,1142 3.648,1143 15.94,1144 18.457,1145 17.442,1146 32.081,1147 14.562,1148 2.002,1149 6.432,1150 27.808,1151 3.183,1152 17.11,1153 19.868,1154 18.783,1155 34.519,1156 15.622,1157 1.567,1158 5.809,1159 29.736,1160 2.961,1161 18.272,1162 21.137,1163 20.125,1164 36.955,1165 16.651,1166 11581,1167 22697,1168 19.879,1169 31.04,1170 47.326,1171 46.813,1172 47.82,1173 46.696,1174 46.452,1175 60.537,1176 15.356,1177 134.907,1178 43.279,1179 5.315,1180 6.46,1181 6.796,1182 5.271,1183 5.314,1184 6.867,1185 5.529,1186 18.691,1187 4.901,1188 17.711,1189 1.527,1190 1.51,1191 1.543,1192 1.506,1193 1.498,1194 1.953,1195 0.495,1196 4.352,1197 1.396,1198 3.98,1199 4.005,1200 3.936,1201 3.881,1202 8.513,1203 3.885,1204 3.916,1205 3.946,1206 3.868,1207 3.824,1208 7.999,1209 3.83,1210 3.835,1211 3.861,1212 3.79,1213 3.735,1214 7.999,1215 3.744,1216 3.472,1217 3.515,1218 3.416,1219 3.202,1220 7.433,1221 3.244,1222 3.308,1223 3.347,1224 3.321,1225 3.021,1226 5.004,1227 3.055,1228 3.169,1229 3.257,1230 2.966,1231 2.993,1232 4.778,1233 2.996,1234 3.027,1235 3.057,1236 2.909,1237 2.759,1238 4.735,1239 2.791,1240 2.854,1241 2.925,1242 2.691,1243 2.735,1244 4.33,1245 2.715,1246 0.143,1247 0.144,1248 0.229,1249 0.134,1250 0.107,1251 4.44,1252 0.125,1253 4.46,1254 0.123,1255 7.111,1256 0.376,1257 4.168,1258 0.094,1259 3.314,1260 3.867,1261 3.825,1262 11.657,1263 2.901,1264 1.922,1265 1.894,1266 2.041,1267 2.035,1268 1.151,1269 2.032,1270 1.881,1271 1.862,1272 1.977,1273 2.005,1274 1.044,1275 1.995,1276 1.799,1277 1.771,1278 1.892,1279 1.92,1280 0.959,1281 1.913,1282 1.364,1283 1.306,1284 1.639,1285 1.647,1286 0.69,1287 1.638,1288 1.207,1289 1.126,1290 1.552,1291 1.426,1292 0.601,1293 1.469,1294 1.074,1295 1.052,1296 1.181,1297 1.418,1298 0.22,1299 1.317,1300 0.897,1301 0.868,1302 1.165,1303 1.237,1304 0.218,1305 1.188,1306 0.886,1307 0.821,1308 1.127,1309 1.062,1310 0.184,1311 1.107,1312 4.143,1314 5.476,1316 6.993,1318 8.584,1320 10.209,1322 3.499,1324 37.67,1330 10.744,1333 1.395,1334 -4.456,1340 31.078,1341 80.849,1342 156.546,1343 192.6,1344 219.819,1345 227.819,1346 231.819,1347 65.729,1348 7.253,1349 51.66,1350 51.66,1351 18,1352 12.392,1353 4.322,1354 3.459,1355 52.984,1356 143,1357 112,1358 0.182,1359 189.927,1360 342.26,1361 455.183,1362 14537,1363 6.5,1364 21.018,1365 0.725,1366 0.538,1367 18.518,1368 15.604,1369 13.736,1370 0.443,1371 0.276,1372 8.37,1373 12.965,1374 8.174,1375 6.799,1376 12.525,1377 8.562,1378 13.204,1379 0.3,1380 0.14,1381 11.246,1382 6.17,1383 10.16,1384 0.192,1385 0.077,1386 9.224,1387 4.066,1388 7.727,1389 0.125,1390 0.041,1391 7.028,1392 2.512,1393 5.993,1394 0.081,1395 0.021,1396 5.729,1397 1.527,1398 0.297,1399 87.954,1400 0.224,1401 28.274,1402 0.468,1403 150,1404 690.83,1405 182.224,1406 576.983,1407 752.94,1408 534,1409 172,1410 533.816,1411 197.106,1412 516.35,1413 769.94,1414 482,1415 4.301}
{0 CHEMBL241553,1 1.758,2 13.379,3 5.753,4 33.1,5 100.85,6 8.748,7 0.581,8 3.948,9 4.037,10 3.629,11 3.46,12 5.214,13 3.49,14 4.462,15 4.597,16 4.069,17 3.785,18 6.186,19 3.817,20 4.606,21 4.747,22 4.028,23 3.872,24 5.943,25 3.89,26 4.723,27 4.909,28 3.941,29 3.784,30 6.15,31 3.798,32 4.559,33 4.751,34 3.797,35 3.727,36 5.853,37 3.719,38 4.485,39 4.657,40 3.715,41 3.717,42 5.827,43 3.664,44 4.501,45 4.73,46 3.542,47 3.65,48 5.63,49 3.565,50 4.274,51 4.47,52 3.583,53 3.494,54 5.553,55 3.473,56 0.204,57 0.833,58 6.414,59 4.317,60 25.826,61 4.393,62 1.05,63 1.622,64 15,65 6.751,66 142.508,67 7.208,68 0.607,69 1.392,70 16.727,71 8.035,72 45.312,73 8.441,74 1.157,75 1.499,76 24.477,77 8.465,78 124.112,79 8.779,80 0.828,81 1.192,82 20.1,83 7.308,84 93.692,85 8.181,86 0.831,87 1.006,88 16.916,89 7.317,90 71.833,91 8.681,92 0.777,93 1.011,94 21.48,95 7.963,96 85.89,97 10.267,98 0.418,99 1.03,100 14.408,101 6.425,102 41.832,103 7.652,104 38,105 44,106 0.3,107 0.581,108 0.722,109 0.823,110 0.845,111 0.86,112 3.407,113 0.828,114 -5.31,115 -5.19,116 -4.85,121 45.7,122 1,126 1,134 1,144 10,145 2,146 3,147 1,149 1,161 1,176 9,179 4,180 9,187 9,192 8,200 5,206 13,214 3,218 1,219 10,227 4,232 4,239 8,243 3,244 1,251 10,256 1,264 8,268 2,269 5,277 4,281 1348,282 18.781,283 18.781,284 18.781,285 18.781,286 18.781,287 16.49,288 23.893,289 10.888,290 19.429,291 15.275,292 15.275,293 15.275,294 15.275,295 15.275,296 11.836,297 29.296,298 5.189,299 16.418,300 3.766,301 2.12,302 1.293,303 0.701,304 0.571,305 0.484,306 4.084,312 1,313 815,314 4.123,318 339.201,325 2.297,326 46.627,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 66.5,338 388,339 4.44,340 4.46,341 7.111,342 4.168,343 3.314,344 3.846,345 3.825,346 11.657,347 2.856,348 4.234,349 3.802,350 6.352,351 3.913,352 2.97,353 3.746,354 2.208,355 9.497,356 2.8,357 4.07,358 3.075,359 5.626,360 3.648,361 2.713,362 3.642,363 0.86,364 7.81,365 2.54,366 3.838,367 2.85,368 5.432,369 3.43,370 2.497,371 3.187,372 0.655,373 7.196,374 2.33,375 3.697,376 2.646,377 5.179,378 3.284,379 2.319,380 3.025,381 0.13,382 6.364,383 2.188,384 3.394,385 2.345,386 4.977,387 2.993,388 2.057,389 2.673,391 5.897,392 1.909,393 3.132,394 2.28,395 4.67,396 2.694,397 1.711,398 2.317,400 4.798,401 1.667,402 2.899,403 1.909,404 4.552,405 2.465,406 1.553,407 2.011,409 4.578,410 1.375,411 2.671,412 1.38,413 3.557,414 2.196,415 1.2,416 1.742,418 2.639,419 1.192,420 2.5,421 1.038,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1,431 3.414,432 1.959,433 1,434 1.5,436 2.275,437 0.956,438 1.951,439 1,440 3.408,441 1.626,442 0.682,443 0.81,445 1.712,446 0.636,447 1.542,448 0.89,449 3.024,450 1.154,451 0.237,452 0.292,454 0.593,455 0.214,456 1.127,457 0.51,458 2.686,459 0.711,460 -0.225,461 -0.285,463 -0.554,464 -0.207,465 0.927,466 0.51,467 2.504,468 0.593,469 -0.406,470 -0.51,472 -0.9,473 -0.405,474 13.157,475 0.454,476 0.953,477 0.033,478 39.75,479 1.371,480 21,481 0.724,482 18.75,483 0.647,484 20.33,485 0.701,486 31.843,487 0.692,488 32.941,489 1.136,490 8.333,491 0.287,492 5.386,493 0.186,494 0.166,495 0.038,496 0.296,498 3,501 0.636,502 1.018,503 0.61,504 1.122,505 0.602,506 0.943,507 0.471,508 0.699,509 0.625,510 0.886,511 0.37,512 0.846,513 0.877,514 1.017,515 0.902,516 1.22,517 0.604,518 1.126,519 1.241,520 0.87,521 1.166,522 0.943,523 1.118,524 1,525 0.925,526 0.73,527 0.996,528 0.847,529 0.929,530 0.907,531 0.478,532 0.636,533 0.956,534 1.094,535 0.535,536 1.209,537 0.536,538 0.549,539 0.809,540 0.805,541 0.55,542 0.917,543 0.681,544 1.043,545 0.714,546 1.152,547 0.591,548 1.027,549 8,550 0.202,551 3.556,552 2,553 1.547,554 0.944,555 0.544,556 0.42,557 0.304,558 0.212,559 11949,560 44379,561 1.985,562 37,563 3,564 13,566 1,572 1.711,573 1.822,574 3.683,575 -0.717,582 80.849,583 1.758,584 3.403,585 4.23,586 4.822,587 4.953,588 5.04,589 3.095,590 4.418,591 4.829,592 3.919,593 1591.09,594 8.366,595 23107.1,600 254.084,601 1.658,602 4.76,603 0.258,604 0.011,605 0.081,606 0.047,607 0.042,608 0.028,609 0.018,610 0.016,611 0.011,612 0.009,613 0.52,614 0.33,615 1,616 0.805,617 151.664,618 -0.037,619 -0.129,620 0.036,621 -0.116,622 -0.103,623 -0.039,624 0.431,625 0.314,626 0.209,627 0.086,628 0.449,629 0.053,630 -0.104,631 -0.219,632 -0.073,633 -0.258,634 -0.001,635 -0.187,636 -0.165,637 0.043,638 -0.152,639 -0.003,640 -0.105,641 -0.056,642 -0.106,643 0.033,644 -0.048,645 0.085,646 -0.107,647 0.071,648 0.195,649 0.031,650 -0.078,651 -0.132,652 0.069,653 -0.202,654 0.118,655 0.039,656 0.203,657 0.171,658 0.037,659 0.197,660 0.038,661 -0.222,662 0.227,663 -0.144,664 0.086,665 0.037,666 5.706,667 5.284,668 0.621,669 32.706,670 1.036,671 1.139,672 4.075,673 16.608,674 0.675,675 3.466,676 3.807,677 3.97,678 4.127,679 4.317,680 4.304,681 4.357,682 4.419,683 4.407,684 4.489,685 8.065,686 0.676,687 402.4,688 3.466,689 5.017,690 5.838,691 6.706,692 7.541,693 8.406,694 9.245,695 10.109,696 10.951,697 11.814,698 4.3,705 1,708 1,715 11,716 1,720 6,722 18,737 1,739 1,741 46,743 19,744 2,745 31,747 48,748 21,749 17,750 4,751 8,756 3,757 3,763 2,769 1,772 18,773 3,777 1,782 1,786 1,791 3,793 17,794 8,796 8,802 2,808 1,809 3,822 1,829 3,859 3,864 2,866 3,868 29,878 2,881 1,882 1,892 3,893 6.5,896 1,898 2,901 15.917,902 8.995,903 6.222,904 2.517,907 3.084,908 1.425,909 0.964,910 6.094,911 10.337,912 3.738,913 4.324,914 4.802,915 5.298,916 5.809,917 5.856,918 6.114,919 6.411,920 6.638,921 7.015,922 0.889,923 43,924 11.116,926 5.111,927 0.026,929 8.325,931 19.301,933 15.114,936 2.825,937 81.917,941 200.109,942 159.983,943 19.91,945 47.145,946 44.88,948 159.983,949 247.253,950 64.79,951 17.222,952 3.124,953 94.762,954 53.702,955 95.542,956 11.577,957 188.338,958 7.76,959 200.109,960 179.893,961 92.025,964 200.109,965 92.025,968 28.756,969 134.351,970 16.786,972 244.989,973 67.055,974 159.983,977 207.868,978 31.192,979 124.156,981 108.811,982 200.109,983 111.935,984 159.983,986 0.595,987 0.326,988 0.155,989 0.084,990 20,991 10,992 0.104,993 5,995 1,996 4.088,997 236.966,999 18,1000 130.127,1005 20.689,1006 8.541,1007 5.49,1009 111.935,1010 16.214,1011 3.641,1015 1.502,1018 472.026,1019 41,1024 12.284,1028 -0.561,1031 47.676,1032 52.381,1034 0.318,1035 0.616,1036 0.766,1037 0.873,1038 0.897,1039 0.912,1040 4.98,1041 1.553,1042 5.866,1043 4.798,1044 4.489,1045 5.011,1046 3.45,1047 6.673,1048 4.348,1049 6.206,1050 1.2,1051 7.44,1052 4.578,1053 4.29,1054 4.82,1055 4.006,1056 7.779,1057 3.966,1058 7.519,1059 1,1060 9.122,1061 2.639,1062 6.142,1063 7.145,1064 5.561,1065 10.736,1066 5.827,1067 8.861,1068 1,1069 10.869,1070 2.275,1071 6.698,1072 7.639,1073 6.735,1074 12.645,1075 6.172,1076 10.229,1077 0.682,1078 12.659,1079 2.275,1080 8.101,1081 9.512,1082 8.102,1083 15.217,1084 7.566,1085 11.615,1086 0.237,1087 14.482,1088 1.712,1089 8.987,1090 10.334,1091 9.406,1092 17.447,1093 8.246,1094 13.015,1095 -0.225,1096 16.329,1097 0.593,1098 10.228,1099 11.991,1100 10.748,1101 19.915,1102 9.44,1103 3.314,1104 -0.406,1105 18.196,1106 -0.554,1107 11.265,1108 12.999,1109 12.081,1110 22.273,1111 10.288,1112 2.97,1113 11.657,1114 20.078,1115 -0.9,1116 12.45,1117 14.533,1118 13.421,1119 24.717,1120 11.392,1121 2.713,1122 9.497,1123 21.974,1124 3.846,1125 13.559,1126 15.655,1127 14.76,1128 27.126,1129 12.327,1130 2.497,1131 7.81,1132 23.88,1133 3.746,1134 14.729,1135 17.113,1136 16.101,1137 29.568,1138 13.39,1139 2.319,1140 7.196,1141 25.795,1142 3.642,1143 15.872,1144 18.309,1145 17.442,1146 32,1147 14.37,1148 2.057,1149 6.364,1150 27.718,1151 3.187,1152 17.041,1153 19.719,1154 18.783,1155 34.444,1156 15.415,1157 1.711,1158 5.897,1159 29.646,1160 3.025,1161 18.202,1162 20.963,1163 20.125,1164 36.887,1165 16.42,1166 11672,1167 22836,1168 19.879,1169 31.04,1170 47.35,1171 46.912,1172 47.626,1173 46.739,1174 46.506,1175 60.579,1176 15.356,1177 134.586,1178 43.328,1179 5.313,1180 6.46,1181 6.663,1182 5.271,1183 5.314,1184 6.846,1185 5.529,1186 18.536,1187 4.856,1188 17.803,1189 1.527,1190 1.513,1191 1.536,1192 1.508,1193 1.5,1194 1.954,1195 0.495,1196 4.341,1197 1.398,1198 3.979,1199 4.004,1200 3.934,1201 3.879,1202 8.513,1203 3.884,1204 3.915,1205 3.945,1206 3.866,1207 3.824,1208 7.999,1209 3.83,1210 3.835,1211 3.861,1212 3.791,1213 3.735,1214 7.999,1215 3.744,1216 3.49,1217 3.536,1218 3.429,1219 3.232,1220 7.433,1221 3.268,1222 3.309,1223 3.348,1224 3.325,1225 3.001,1226 5.004,1227 3.058,1228 3.142,1229 3.222,1230 2.974,1231 2.974,1232 4.778,1233 2.962,1234 3.024,1235 3.057,1236 2.881,1237 2.759,1238 4.734,1239 2.79,1240 2.854,1241 2.925,1242 2.691,1243 2.735,1244 4.33,1245 2.715,1246 0.143,1247 0.144,1248 0.229,1249 0.134,1250 0.107,1251 4.44,1252 0.124,1253 4.46,1254 0.123,1255 7.111,1256 0.376,1257 4.168,1258 0.092,1259 3.314,1260 3.846,1261 3.825,1262 11.657,1263 2.856,1264 1.921,1265 1.893,1266 2.041,1267 2.033,1268 1.145,1269 2.031,1270 1.881,1271 1.862,1272 1.977,1273 2.005,1274 1.044,1275 1.995,1276 1.799,1277 1.771,1278 1.892,1279 1.92,1280 0.959,1281 1.913,1282 1.392,1283 1.332,1284 1.66,1285 1.666,1286 0.725,1287 1.66,1288 1.166,1289 1.091,1290 1.513,1291 1.427,1292 0.565,1293 1.432,1294 1.073,1295 1.05,1296 1.181,1297 1.383,1298 0.22,1299 1.317,1300 0.897,1301 0.868,1302 1.165,1303 1.237,1304 0.218,1305 1.187,1306 0.886,1307 0.821,1308 1.119,1309 1.062,1310 0.18,1311 1.107,1312 4.143,1314 5.476,1316 6.987,1318 8.57,1320 10.187,1322 3.526,1324 37.663,1330 10.726,1333 1.379,1334 -4.456,1340 31.078,1341 80.849,1342 156.546,1343 194.6,1344 221.819,1345 227.819,1346 231.819,1347 65.28,1348 7.253,1349 51.66,1350 51.66,1351 18,1352 12.366,1353 4.322,1354 3.459,1355 52.989,1356 144,1357 112,1358 0.18,1359 189.927,1360 342.26,1361 455.183,1362 14537,1363 6.5,1364 21.018,1365 0.725,1366 0.538,1367 18.518,1368 15.604,1369 13.719,1370 0.443,1371 0.276,1372 8.364,1373 12.946,1374 8.165,1375 6.796,1376 12.508,1377 8.556,1378 13.31,1379 0.303,1380 0.141,1381 11.352,1382 6.222,1383 10.028,1384 0.193,1385 0.076,1386 9.092,1387 3.978,1388 7.602,1389 0.125,1390 0.04,1391 6.903,1392 2.416,1393 5.986,1394 0.081,1395 0.021,1396 5.722,1397 1.57,1398 0.295,1399 87.853,1400 0.224,1401 28.32,1402 0.463,1403 150,1404 690.83,1405 182.224,1406 577.275,1407 752.44,1408 534,1409 171,1410 532.816,1411 195.939,1412 515.828,1413 767.79,1414 481,1415 4.301}
{0 CHEMBL241554,1 1.758,2 13.897,3 5.753,4 33.1,5 100.85,6 8.748,7 0.581,8 3.948,9 4.037,10 3.629,11 3.46,12 5.214,13 3.49,14 4.462,15 4.597,16 4.069,17 3.785,18 6.186,19 3.817,20 4.606,21 4.747,22 4.028,23 3.872,24 5.945,25 3.89,26 4.722,27 4.909,28 3.922,29 3.78,30 6.152,31 3.789,32 4.551,33 4.752,34 3.772,35 3.693,36 5.843,37 3.682,38 4.424,39 4.597,40 3.689,41 3.666,42 5.761,43 3.629,44 4.388,45 4.581,46 3.586,47 3.665,48 5.567,49 3.585,50 4.435,51 4.662,52 3.571,53 3.511,54 5.676,55 3.48,56 0.204,57 0.833,58 6.414,59 4.317,60 25.826,61 4.393,62 1.05,63 1.622,64 15,65 6.751,66 142.397,67 7.208,68 0.607,69 1.392,70 16.727,71 8.035,72 46.09,73 8.441,74 1.158,75 1.494,76 24.4,77 8.473,78 121.084,79 8.75,80 0.822,81 1.161,82 20.777,83 7.496,84 96.922,85 8.675,86 0.865,87 0.961,88 16.436,89 6.507,90 78.265,91 7.529,92 0.503,93 1.011,94 15.39,95 7.401,96 45.668,97 9.356,98 0.656,99 1.064,100 20.054,101 7.295,102 72.518,103 8.905,104 38,105 44,106 0.3,107 0.581,108 0.705,109 0.791,110 0.816,111 0.831,112 3.407,113 0.828,114 -5.31,115 -5.19,116 -4.85,121 45.7,122 1,126 1,134 1,144 10,145 2,146 3,147 1,149 1,161 1,176 9,179 4,180 9,187 9,192 8,200 6,206 12,214 2,218 1,219 11,227 4,232 2,239 8,243 3,244 3,251 10,256 1,264 6,268 2,269 5,277 4,281 1363,282 18.781,283 18.781,284 18.781,285 18.781,286 18.781,287 16.49,288 23.893,289 10.852,290 19.429,291 15.258,292 15.258,293 15.258,294 15.258,295 15.258,296 11.83,297 27.378,298 5.17,299 16.403,300 3.766,301 2.12,302 1.396,303 0.892,304 0.745,305 0.658,306 4.084,312 1,313 847,314 4.123,318 340.77,325 2.328,326 46.537,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 66.5,338 403,339 4.44,340 4.46,341 7.111,342 4.168,343 3.314,344 3.846,345 3.825,346 11.657,347 2.856,348 4.218,349 3.801,350 6.341,351 3.9,352 2.96,353 3.719,354 2.208,355 9.439,356 2.782,357 4.066,358 3.075,359 5.625,360 3.645,361 2.711,362 3.637,363 0.86,364 7.806,365 2.538,366 3.838,367 2.823,368 5.414,369 3.428,370 2.491,371 3.19,372 0.655,373 7.147,374 2.347,375 3.715,376 2.64,377 5.14,378 3.303,379 2.337,380 3.061,381 0.13,382 6.281,383 2.199,384 3.422,385 2.4,386 4.988,387 3.017,388 2.079,389 2.709,391 5.94,392 1.933,393 3.185,394 2.304,395 4.764,396 2.743,397 1.762,398 2.383,400 5.031,401 1.71,402 2.899,403 1.909,404 4.553,405 2.465,406 1.554,407 2.011,409 4.591,410 1.375,411 2.5,412 1.303,413 3.517,414 2,415 1,416 1.5,418 2.275,419 1,420 2.5,421 1,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1,431 3.414,432 1.959,433 1,434 1.5,436 2.275,437 0.956,438 2.037,439 1,440 3.414,441 1.727,442 0.78,443 0.913,445 1.92,446 0.728,447 1.544,448 0.9,449 3.027,450 1.16,451 0.244,452 0.3,454 0.611,455 0.22,456 1.128,457 0.51,458 2.69,459 0.736,460 -0.205,461 -0.255,463 -0.496,464 -0.19,465 1.019,466 0.51,467 2.509,468 0.688,469 -0.289,470 -0.356,472 -0.632,473 -0.282,474 13.157,475 0.454,476 0.953,477 0.033,478 39.75,479 1.371,480 21,481 0.724,482 18.75,483 0.647,484 20.209,485 0.697,486 31.843,487 0.692,488 32.898,489 1.134,490 8.333,491 0.287,492 5.386,493 0.186,494 0.166,495 0.038,496 0.296,498 3,501 0.636,502 1.018,503 0.61,504 1.122,505 0.602,506 0.943,507 0.471,508 0.699,509 0.625,510 0.886,511 0.37,512 0.846,513 0.877,514 1.017,515 0.902,516 1.22,517 0.601,518 1.126,519 1.247,520 0.862,521 1.202,522 0.959,523 1.125,524 1.032,525 0.884,526 0.754,527 0.917,528 0.864,529 0.915,530 0.888,531 0.569,532 0.535,533 0.964,534 0.863,535 0.599,536 1.021,537 0.326,538 0.753,539 0.811,540 1.193,541 0.367,542 1.242,543 0.829,544 0.866,545 0.781,546 0.933,547 0.732,548 0.883,549 8,550 0.182,551 3.778,552 1.875,553 1.547,554 0.944,555 0.626,556 0.382,557 0.304,558 0.242,559 12045,560 44571,561 1.985,562 37,563 3,564 13,566 1,572 1.711,573 1.822,574 3.723,575 -0.717,582 80.849,583 1.758,584 3.403,585 4.127,586 4.632,587 4.779,588 4.866,589 3.263,590 4.28,591 4.828,592 3.946,593 1602,594 8.364,595 23284.5,600 254.084,601 1.658,602 4.76,603 0.258,604 0.009,605 0.086,606 0.044,607 0.043,608 0.029,609 0.021,610 0.014,611 0.012,612 0.01,613 0.525,614 0.33,615 1,616 0.805,617 151.875,618 -0.037,619 -0.129,620 0.036,621 -0.116,622 -0.103,623 -0.039,624 0.431,625 0.314,626 0.209,627 0.086,628 0.449,629 0.053,630 -0.104,631 -0.219,632 -0.073,633 -0.258,634 0.001,635 -0.187,636 -0.171,637 0.05,638 -0.189,639 -0.019,640 -0.114,641 -0.089,642 -0.065,643 -0.012,644 0.061,645 0.081,646 -0.082,647 0.121,648 0.147,649 0.148,650 -0.079,651 0.078,652 0.036,653 -0.042,654 0.205,655 -0.084,656 0.066,657 -0.19,658 0.097,659 -0.159,660 -0.021,661 -0.15,662 0.271,663 0.046,664 0.029,665 0.209,666 5.706,667 5.257,668 0.621,669 33.241,670 1.036,671 1.139,672 4.075,673 16.608,674 0.675,675 3.466,676 3.807,677 3.97,678 4.111,679 4.317,680 4.317,681 4.369,682 4.394,683 4.419,684 4.489,685 8.14,686 0.676,687 402.4,688 3.466,689 5.017,690 5.838,691 6.703,692 7.538,693 8.401,694 9.241,695 10.103,696 10.945,697 11.806,698 4.3,705 1,708 1,715 11,716 1,720 6,722 18,737 1,739 1,741 46,743 19,744 2,745 31,747 48,748 21,749 17,750 4,751 8,756 3,757 3,763 2,769 1,772 18,773 3,777 1,782 1,786 1,791 3,793 17,794 8,796 8,802 2,808 1,809 3,822 1,829 3,859 3,864 2,866 3,868 29,878 2,881 1,882 1,892 3,893 6.5,896 1,898 2,901 15.917,902 8.995,903 6.222,904 2.517,907 3.075,908 1.424,909 0.964,910 6.094,911 10.328,912 3.738,913 4.324,914 4.802,915 5.286,916 5.816,917 5.86,918 6.131,919 6.386,920 6.645,921 7.015,922 1,923 43,924 11.115,926 5.111,927 0.026,929 8.325,931 19.301,933 15.114,936 2.825,937 81.917,941 200.109,942 159.983,943 19.91,945 47.145,946 44.88,948 159.983,949 247.253,950 64.79,951 17.222,952 3.124,953 94.762,954 53.702,955 95.542,956 11.577,957 188.338,958 7.76,959 200.109,960 179.893,961 92.025,964 200.109,965 92.025,968 28.756,969 134.351,970 16.786,972 244.989,973 67.055,974 159.983,977 207.868,978 31.192,979 124.156,981 108.811,982 200.109,983 111.935,984 159.983,986 0.596,987 0.327,988 0.151,989 0.083,990 20,991 10,992 0.104,993 5,995 1,996 4.101,997 236.273,999 18,1000 128.127,1005 20.689,1006 8.541,1007 5.49,1009 111.935,1010 16.192,1011 3.64,1015 1.555,1018 472.026,1019 41,1024 12.257,1028 -0.563,1031 47.676,1032 52.381,1034 0.318,1035 0.616,1036 0.747,1037 0.839,1038 0.865,1039 0.881,1040 4.98,1041 1.554,1042 5.866,1043 5.031,1044 4.489,1045 5.011,1046 3.45,1047 6.671,1048 4.348,1049 6.206,1050 1,1051 7.44,1052 4.591,1053 4.29,1054 4.82,1055 4.006,1056 7.779,1057 3.966,1058 7.519,1059 1,1060 9.121,1061 2.275,1062 6.142,1063 7.145,1064 5.561,1065 10.728,1066 5.827,1067 8.861,1068 1,1069 10.868,1070 2.275,1071 6.698,1072 7.639,1073 6.735,1074 12.639,1075 6.172,1076 10.229,1077 0.78,1078 12.657,1079 2.275,1080 8.1,1081 9.51,1082 8.102,1083 15.207,1084 7.563,1085 11.615,1086 0.244,1087 14.479,1088 1.92,1089 8.983,1090 10.327,1091 9.406,1092 17.439,1093 8.239,1094 13.014,1095 -0.205,1096 16.326,1097 0.611,1098 10.224,1099 11.983,1100 10.748,1101 19.906,1102 9.432,1103 3.314,1104 -0.289,1105 18.192,1106 -0.496,1107 11.259,1108 12.984,1109 12.081,1110 22.265,1111 10.274,1112 2.96,1113 11.657,1114 20.074,1115 -0.632,1116 12.444,1117 14.518,1118 13.421,1119 24.709,1120 11.376,1121 2.711,1122 9.439,1123 21.969,1124 3.846,1125 13.551,1126 15.634,1127 14.76,1128 27.12,1129 12.306,1130 2.491,1131 7.806,1132 23.875,1133 3.719,1134 14.72,1135 17.092,1136 16.101,1137 29.562,1138 13.366,1139 2.337,1140 7.147,1141 25.791,1142 3.637,1143 15.863,1144 18.281,1145 17.442,1146 31.995,1147 14.342,1148 2.079,1149 6.281,1150 27.713,1151 3.19,1152 17.033,1153 19.691,1154 18.783,1155 34.44,1156 15.384,1157 1.762,1158 5.94,1159 29.641,1160 3.061,1161 18.194,1162 20.929,1163 20.125,1164 36.883,1165 16.385,1166 11764,1167 22976,1168 19.879,1169 31.04,1170 47.341,1171 46.8,1172 47.64,1173 46.706,1174 46.462,1175 60.538,1176 15.356,1177 134.493,1178 43.287,1179 5.312,1180 6.46,1181 6.525,1182 5.271,1183 5.314,1184 6.846,1185 5.529,1186 18.535,1187 4.856,1188 17.882,1189 1.527,1190 1.51,1191 1.537,1192 1.507,1193 1.499,1194 1.953,1195 0.495,1196 4.338,1197 1.396,1198 3.978,1199 4.004,1200 3.934,1201 3.879,1202 8.513,1203 3.883,1204 3.915,1205 3.945,1206 3.865,1207 3.824,1208 7.999,1209 3.83,1210 3.836,1211 3.861,1212 3.791,1213 3.736,1214 7.999,1215 3.744,1216 3.499,1217 3.547,1218 3.436,1219 3.25,1220 7.433,1221 3.283,1222 3.31,1223 3.348,1224 3.326,1225 2.998,1226 5.004,1227 3.059,1228 3.104,1229 3.171,1230 2.98,1231 2.898,1232 4.778,1233 2.901,1234 3.002,1235 3.056,1236 2.803,1237 2.746,1238 4.734,1239 2.758,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 4.33,1245 2.715,1246 0.143,1247 0.144,1248 0.229,1249 0.134,1250 0.107,1251 4.44,1252 0.124,1253 4.46,1254 0.123,1255 7.111,1256 0.376,1257 4.168,1258 0.092,1259 3.314,1260 3.846,1261 3.825,1262 11.657,1263 2.856,1264 1.921,1265 1.893,1266 2.041,1267 2.033,1268 1.143,1269 2.031,1270 1.881,1271 1.862,1272 1.977,1273 2.005,1274 1.044,1275 1.995,1276 1.799,1277 1.771,1278 1.892,1279 1.92,1280 0.959,1281 1.913,1282 1.408,1283 1.348,1284 1.671,1285 1.675,1286 0.74,1287 1.67,1288 1.105,1289 1.062,1290 1.478,1291 1.428,1292 0.539,1293 1.392,1294 1.071,1295 1.01,1296 1.181,1297 1.341,1298 0.22,1299 1.317,1300 0.897,1301 0.865,1302 1.181,1303 1.237,1304 0.218,1305 1.182,1306 0.886,1307 0.821,1308 1.163,1309 1.062,1310 0.218,1311 1.107,1312 4.143,1314 5.476,1316 6.987,1318 8.568,1320 10.183,1322 3.548,1324 37.657,1330 10.715,1333 1.371,1334 -4.456,1340 31.078,1341 80.849,1342 156.546,1343 189.845,1344 213.064,1345 219.819,1346 223.819,1347 65.219,1348 7.253,1349 51.66,1350 51.66,1351 18,1352 12.359,1353 4.322,1354 3.459,1355 53.006,1356 145,1357 128,1358 0.179,1359 189.927,1360 342.26,1361 455.183,1362 14537,1363 6.5,1364 21.018,1365 0.725,1366 0.538,1367 18.518,1368 15.604,1369 13.719,1370 0.443,1371 0.276,1372 8.364,1373 12.946,1374 8.165,1375 6.795,1376 12.508,1377 8.556,1378 13.298,1379 0.302,1380 0.141,1381 11.34,1382 6.219,1383 10.111,1384 0.194,1385 0.077,1386 9.175,1387 4.01,1388 7.455,1389 0.124,1390 0.039,1391 6.756,1392 2.348,1393 5.96,1394 0.081,1395 0.021,1396 5.696,1397 1.543,1398 0.293,1399 87.853,1400 0.224,1401 28.37,1402 0.458,1403 150,1404 690.83,1405 182.224,1406 577.21,1407 752.42,1408 534,1409 171,1410 532.816,1411 195.939,1412 515.693,1413 767.55,1414 481,1415 4.301}
{0 CHEMBL241760,1 1.909,2 13.345,3 5.932,4 35.183,5 100.614,6 9.833,7 0.581,8 3.897,9 3.974,10 3.673,11 3.431,12 5.201,13 3.468,14 4.403,15 4.516,16 4.129,17 3.76,18 6.184,19 3.799,20 4.56,21 4.689,22 4.143,23 3.842,24 5.951,25 3.871,26 4.634,27 4.787,28 4.06,29 3.757,30 6.147,31 3.785,32 4.484,33 4.638,34 3.926,35 3.686,36 5.934,37 3.689,38 4.386,39 4.553,40 3.707,41 3.638,42 5.757,43 3.595,44 4.32,45 4.517,46 3.654,47 3.617,48 5.514,49 3.541,50 4.25,51 4.43,52 3.691,53 3.494,54 5.592,55 3.468,56 0.281,57 0.782,58 4.006,59 3.848,60 33.775,61 3.539,62 1.083,63 1.544,64 10.647,65 6.155,66 143.808,67 5.756,68 0.811,69 1.276,70 15.403,71 7.614,72 67.254,73 7.203,74 1.3,75 1.364,76 21.703,77 7.942,78 137.852,79 6.505,80 1.021,81 1.071,82 21.909,83 7.21,84 111.887,85 6.856,86 0.939,87 0.905,88 14.077,89 6.54,90 86.204,91 7.033,92 0.663,93 0.914,94 15.205,95 6.92,96 68.422,97 8.556,98 0.591,99 0.958,100 15.773,101 6.448,102 58.721,103 7.229,104 38,105 44,106 0.33,107 0.598,108 0.718,109 0.828,110 0.852,111 0.868,112 3.407,113 0.835,114 -5.31,115 -5.19,116 -4.85,121 46.5,126 1,134 1,144 10,145 1,146 4,147 1,149 1,161 1,176 7,179 4,180 8,187 6,192 9,200 5,206 10,214 3,218 1,219 12,227 4,232 2,239 6,243 3,244 1,251 10,256 1,264 8,268 2,269 4,277 2,281 1333,282 18.833,283 18.833,284 18.833,285 18.833,286 18.833,287 16.515,288 21.402,289 10.924,290 19.59,291 15.259,292 15.259,293 15.259,294 15.259,295 15.259,296 11.812,297 24.14,298 5.177,299 16.638,300 3.517,301 1.972,302 1.273,303 0.64,304 0.5,305 0.407,306 4.084,308 1,312 1,313 813,314 4.123,318 337.847,325 2.264,326 50.329,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 66.833,338 387,339 4.44,340 4.46,341 7.111,342 4.168,343 3.314,344 3.867,345 3.825,346 11.657,347 2.856,348 4.321,349 3.814,350 6.548,351 3.972,352 3.045,353 3.845,354 2.208,355 10.123,356 2.802,357 4.08,358 3.152,359 5.663,360 3.653,361 2.722,362 3.648,363 0.86,364 7.84,365 2.535,366 3.839,367 3.068,368 5.556,369 3.42,370 2.512,371 3.183,372 0.655,373 7.372,374 2.251,375 3.661,376 2.673,377 5.253,378 3.218,379 2.279,380 2.961,381 0.13,382 6.432,383 2.105,384 3.346,385 2.327,386 4.967,387 2.931,388 2.002,389 2.604,391 5.809,392 1.844,393 2.908,394 2.167,395 4.556,396 2.475,397 1.567,398 2.046,400 4.605,401 1.404,402 2.879,403 1.909,404 4.275,405 2.4,406 1.414,407 2.012,409 3.74,410 1.365,411 2.83,412 1.577,413 3.627,414 2.334,415 1.41,416 1.933,418 2.986,419 1.229,420 2.5,421 1.04,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1,431 3.414,432 1.959,433 1,434 1.5,436 2.275,437 0.956,438 2.01,439 1,440 3.405,441 1.663,442 0.717,443 0.871,445 1.73,446 0.665,447 1.544,448 0.892,449 3.024,450 1.158,451 0.243,452 0.299,454 0.609,455 0.218,456 1.128,457 0.51,458 2.688,459 0.713,460 -0.207,461 -0.257,463 -0.503,464 -0.162,465 1,466 0.51,467 2.508,468 0.531,469 -0.296,470 -0.361,472 -0.644,473 -0.227,474 13.371,475 0.461,476 0.936,477 0.032,478 40,479 1.379,480 21,481 0.724,482 19,483 0.655,484 20.39,485 0.703,486 31.629,487 0.736,488 33.102,489 1.141,490 8.38,491 0.289,492 5.356,493 0.185,494 0.18,495 0.037,496 0.292,498 3,501 0.65,502 0.998,503 0.518,504 1.014,505 0.611,506 0.874,507 0.506,508 0.706,509 0.595,510 0.84,511 0.396,512 0.844,513 0.903,514 0.981,515 0.884,516 1.129,517 0.626,518 1.044,519 1.386,520 0.86,521 1.296,522 0.91,523 1.236,524 1.002,525 0.939,526 0.76,527 1.32,528 1.099,529 0.964,530 1.085,531 0.524,532 0.549,533 0.759,534 0.871,535 0.586,536 1.084,537 0.377,538 0.639,539 0.671,540 0.902,541 0.398,542 1.031,543 0.761,544 1.027,545 0.991,546 1.178,547 0.634,548 1.09,549 7.5,550 0.173,551 3.778,552 2.125,553 1.627,554 0.833,555 0.626,556 0.42,557 0.267,558 0.238,559 11853,560 50325,561 1.985,562 32.6,564 13,566 1,572 1.712,573 1.822,574 3.66,575 -0.683,582 82.078,583 1.909,584 3.455,585 4.153,586 4.787,587 4.926,588 5.019,589 3.108,590 4.418,591 4.83,592 3.904,593 1584.85,594 8.367,595 22926.4,600 233.329,601 1.658,602 4.76,603 0.242,604 0.009,605 0.086,606 0.048,607 0.043,608 0.025,609 0.022,610 0.016,611 0.01,612 0.01,613 0.51,614 0.33,615 1,616 0.805,617 151.443,618 -0.048,619 -0.132,620 0.017,621 -0.112,622 -0.104,623 -0.043,624 0.383,625 0.31,626 0.116,627 0.076,628 0.423,629 0.001,630 -0.113,631 -0.213,632 -0.008,633 -0.195,634 -0.001,635 -0.109,636 -0.279,637 0.077,638 -0.254,639 0.048,640 -0.187,641 -0.079,642 -0.074,643 -0.009,644 -0.197,645 -0.13,646 -0.105,647 -0.099,648 0.174,649 0.1,650 0.002,651 0.048,652 0.047,653 -0.059,654 0.207,655 -0.007,656 0.226,657 0.075,658 0.109,659 0.113,660 -0.001,661 -0.239,662 0.099,663 -0.163,664 0.062,665 0.012,666 5.714,667 5.266,668 0.621,669 32.171,670 1.049,671 1.137,672 4.075,673 16.608,674 0.701,675 3.466,676 3.807,677 3.989,678 4.143,679 4.317,680 4.277,681 4.357,682 4.419,683 4.419,684 4.5,685 7.996,686 0.706,687 422.81,688 3.466,689 5.017,690 5.844,691 6.713,692 7.553,693 8.42,694 9.265,695 10.13,696 10.977,697 11.841,698 4.7,705 1,708 1,715 11,716 1,720 6,722 18,737 1,739 1,740 1,741 43,743 19,744 2,745 31,747 45,748 20,749 17,750 4,751 8,756 3,757 3,758 1,763 1,769 1,772 18,773 2,777 1,782 1,786 1,791 3,793 14,794 8,796 9,797 1,802 2,808 1,809 3,822 1,829 3,859 3,864 1,865 1,866 3,868 29,878 2,881 1,882 1,892 4,893 7,896 1,898 2,901 15.917,902 8.138,903 6.25,904 2.31,907 3.113,908 1.429,909 0.967,910 6.308,911 10.366,912 3.738,913 4.324,914 4.814,915 5.301,916 5.809,917 5.826,918 6.113,919 6.411,920 6.661,921 7.018,922 0.889,923 44,924 11.106,926 5.145,927 0.026,929 8.398,931 19.087,933 14.953,936 2.898,937 84.028,941 164.795,942 151.473,943 19.91,944 39.149,945 47.145,946 44.88,948 151.473,949 251.089,950 64.79,951 8.396,952 3.124,953 94.762,954 53.702,955 95.857,956 11.577,957 153.024,958 46.908,959 164.795,960 171.383,961 92.025,962 39.149,964 164.795,965 92.025,968 19.931,969 134.666,970 55.934,972 209.676,973 67.055,974 190.621,977 172.555,978 31.507,979 115.331,981 147.959,982 164.795,983 111.935,984 190.621,986 0.594,987 0.333,988 0.16,989 0.083,990 20,991 10,992 0.111,993 5,995 1,996 4.072,997 238.003,999 18,1000 132.127,1005 20.968,1006 8.724,1007 5.404,1009 111.935,1010 15.472,1011 3.63,1015 0.598,1018 467.352,1019 41,1024 12.266,1028 -0.642,1031 45.116,1032 48.91,1034 0.352,1035 0.637,1036 0.765,1037 0.882,1038 0.908,1039 0.925,1040 4.98,1041 1.414,1042 5.872,1043 4.605,1044 4.489,1045 5.011,1046 3.45,1047 6.691,1048 4.317,1049 6.206,1050 1.41,1051 7.454,1052 3.74,1053 4.29,1054 4.82,1055 4.006,1056 7.823,1057 3.895,1058 7.521,1059 1,1060 9.147,1061 2.986,1062 6.151,1063 7.152,1064 5.561,1065 10.797,1066 5.782,1067 8.868,1068 1,1069 10.906,1070 2.275,1071 6.723,1072 7.671,1073 6.735,1074 12.727,1075 6.113,1076 10.242,1077 0.717,1078 12.708,1079 2.275,1080 8.128,1081 9.54,1082 8.102,1083 15.31,1084 7.522,1085 11.635,1086 0.243,1087 14.542,1088 1.73,1089 9.029,1090 10.396,1091 9.406,1092 17.544,1093 8.199,1094 13.043,1095 -0.207,1096 16.398,1097 0.609,1098 10.273,1099 12.047,1100 10.748,1101 20.017,1102 9.403,1103 3.314,1104 -0.296,1105 18.272,1106 -0.503,1107 11.321,1108 13.091,1109 12.081,1110 22.372,1111 10.253,1112 3.045,1113 11.657,1114 20.161,1115 -0.644,1116 12.508,1117 14.62,1118 13.421,1119 24.814,1120 11.362,1121 2.722,1122 10.123,1123 22.06,1124 3.867,1125 13.623,1126 15.776,1127 14.76,1128 27.218,1129 12.3,1130 2.512,1131 7.84,1132 23.969,1133 3.845,1134 14.794,1135 17.232,1136 16.101,1137 29.655,1138 13.367,1139 2.279,1140 7.372,1141 25.885,1142 3.648,1143 15.94,1144 18.457,1145 17.442,1146 32.081,1147 14.351,1148 2.002,1149 6.432,1150 27.808,1151 3.183,1152 17.11,1153 19.868,1154 18.783,1155 34.519,1156 15.399,1157 1.567,1158 5.809,1159 29.736,1160 2.961,1161 18.272,1162 21.137,1163 20.125,1164 36.955,1165 16.406,1166 11581,1167 24095,1168 19.879,1169 30.137,1170 47.326,1171 46.831,1172 47.82,1173 46.882,1174 46.452,1175 60.537,1176 15.356,1177 134.907,1178 42.461,1179 5.315,1180 6.46,1181 6.796,1182 5.272,1183 5.314,1184 6.867,1185 5.529,1186 18.691,1187 4.856,1188 17.711,1189 1.527,1190 1.511,1191 1.543,1192 1.512,1193 1.498,1194 1.953,1195 0.495,1196 4.352,1197 1.37,1198 3.973,1199 3.994,1200 4.021,1201 3.87,1202 8.513,1203 3.875,1204 3.905,1205 3.932,1206 3.91,1207 3.82,1208 7.999,1209 3.822,1210 3.834,1211 3.859,1212 3.797,1213 3.735,1214 7.999,1215 3.744,1216 3.469,1217 3.511,1218 3.445,1219 3.202,1220 7.433,1221 3.243,1222 3.308,1223 3.347,1224 3.328,1225 2.993,1226 5.007,1227 3.055,1228 3.028,1229 3.057,1230 3.279,1231 2.801,1232 4.931,1233 2.796,1234 2.879,1235 2.925,1236 2.915,1237 2.759,1238 4.765,1239 2.768,1240 2.854,1241 2.922,1242 2.691,1243 2.735,1244 4.359,1245 2.715,1246 0.143,1247 0.144,1248 0.229,1249 0.134,1250 0.107,1251 4.44,1252 0.125,1253 4.46,1254 0.123,1255 7.111,1256 0.376,1257 4.168,1258 0.092,1259 3.314,1260 3.867,1261 3.825,1262 11.657,1263 2.856,1264 1.896,1265 1.876,1266 1.987,1267 2.023,1268 1.081,1269 2.009,1270 1.875,1271 1.853,1272 1.97,1273 1.984,1274 1.043,1275 1.981,1276 1.798,1277 1.771,1278 1.892,1279 1.916,1280 0.959,1281 1.911,1282 1.363,1283 1.305,1284 1.634,1285 1.639,1286 0.681,1287 1.632,1288 1.074,1289 1.053,1290 1.181,1291 1.426,1292 0.22,1293 1.317,1294 0.897,1295 0.868,1296 1.165,1297 1.237,1298 0.218,1299 1.188,1300 0.886,1301 0.824,1302 1.134,1303 1.062,1304 0.19,1305 1.107,1306 0.869,1307 0.821,1308 1.069,1309 1.025,1310 0.115,1311 1.067,1312 4.143,1314 5.476,1316 6.993,1318 8.584,1320 10.209,1322 1.525,1323 6.064,1324 37.648,1330 10.668,1333 1.263,1334 -4.464,1340 30.379,1341 82.078,1342 148.547,1343 178.6,1344 205.82,1345 211.82,1346 215.82,1347 68.515,1348 7.253,1349 51.66,1350 51.66,1351 18,1352 12.392,1353 4.322,1354 3.459,1355 52.984,1356 143,1357 112,1358 0.182,1359 188.668,1360 340.17,1361 452.11,1362 14537,1363 9.3,1364 21.018,1365 0.725,1366 0.543,1367 19.018,1368 15.738,1369 13.736,1370 0.443,1371 0.278,1372 8.089,1373 12.675,1374 7.929,1375 6.547,1376 12.814,1377 8.629,1378 13.204,1379 0.3,1380 0.142,1381 11.617,1382 6.242,1383 10.16,1384 0.192,1385 0.078,1386 9.583,1387 4.122,1388 7.727,1389 0.125,1390 0.041,1391 7.365,1392 2.559,1393 5.993,1394 0.081,1395 0.021,1396 5.954,1397 1.547,1398 0.297,1399 91.129,1400 0.224,1401 28.274,1402 0.468,1403 150,1404 717.034,1405 197.743,1406 630.366,1407 811.86,1408 582,1409 172,1410 550.678,1411 209.141,1412 541.472,1413 808.52,1414 506,1415 4.301}
{0 CHEMBL241761,1 1.909,2 13.897,3 5.932,4 35.183,5 100.614,6 9.833,7 0.581,8 3.897,9 3.974,10 3.673,11 3.431,12 5.2,13 3.468,14 4.403,15 4.516,16 4.129,17 3.76,18 6.187,19 3.799,20 4.559,21 4.689,22 4.092,23 3.838,24 5.947,25 3.862,26 4.627,27 4.788,28 3.955,29 3.716,30 6.129,31 3.747,32 4.465,33 4.641,34 3.816,35 3.646,36 5.823,37 3.653,38 4.39,39 4.552,40 3.775,41 3.66,42 5.766,43 3.618,44 4.335,45 4.514,46 3.72,47 3.618,48 5.632,49 3.546,50 4.236,51 4.432,52 3.604,53 3.446,54 5.54,55 3.428,56 0.281,57 0.782,58 4.006,59 3.848,60 33.664,61 3.539,62 1.083,63 1.544,64 10.647,65 6.155,66 143.958,67 5.756,68 0.81,69 1.281,70 15.944,71 7.668,72 67.619,73 7.18,74 1.289,75 1.38,76 21.196,77 7.812,78 133.951,79 6.54,80 0.926,81 1.086,82 16.85,83 6.841,84 106.034,85 6.958,86 0.944,87 0.897,88 14.331,89 6.605,90 89.432,91 7.016,92 0.748,93 0.909,94 19.216,95 7.106,96 72.674,97 8.512,98 0.562,99 0.973,100 13.465,101 6.244,102 56.468,103 7.298,104 38,105 44,106 0.33,107 0.598,108 0.71,109 0.804,110 0.82,111 0.836,112 3.407,113 0.834,114 -5.31,115 -5.19,116 -4.85,121 46.5,126 1,134 1,144 10,145 1,146 4,147 1,149 1,161 1,176 6,179 4,180 9,187 7,192 8,200 6,206 11,214 2,218 1,219 11,227 4,239 8,243 3,244 3,251 10,256 1,264 4,268 2,269 5,277 2,281 1363,282 18.781,283 18.781,284 18.781,285 18.781,286 18.781,287 16.49,288 23.069,289 10.852,290 19.565,291 15.258,292 15.258,293 15.258,294 15.258,295 15.258,296 11.83,297 26.549,298 5.17,299 16.679,300 3.517,301 1.972,302 1.319,303 0.779,304 0.686,305 0.593,306 4.084,308 1,312 1,313 847,314 4.123,318 340.77,325 2.328,326 49.754,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 66.833,338 403,339 4.44,340 4.46,341 7.111,342 4.168,343 3.314,344 3.846,345 3.825,346 11.657,347 2.856,348 4.218,349 3.801,350 6.341,351 3.897,352 2.96,353 3.719,354 2.208,355 9.439,356 2.764,357 4.066,358 3.075,359 5.625,360 3.643,361 2.711,362 3.637,363 0.86,364 7.806,365 2.53,366 3.838,367 2.957,368 5.414,369 3.405,370 2.491,371 3.19,372 0.655,373 7.147,374 2.245,375 3.715,376 2.727,377 5.14,378 3.254,379 2.337,380 3.061,381 0.13,382 6.281,383 2.113,384 3.422,385 2.542,386 4.988,387 2.996,388 2.079,389 2.709,391 5.94,392 1.872,393 3.185,394 2.31,395 4.764,396 2.711,397 1.762,398 2.383,400 5.031,401 1.603,402 2.899,403 1.909,404 4.553,405 2.465,406 1.554,407 2.011,409 4.591,410 1.374,411 2.5,412 1.364,413 3.517,414 2,415 1,416 1.5,418 2.275,419 1,420 2.5,421 1,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1,431 3.414,432 1.959,433 1,434 1.5,436 2.275,437 0.956,438 2.037,439 1,440 3.414,441 1.706,442 0.78,443 0.913,445 1.92,446 0.699,447 1.544,448 0.902,449 3.027,450 1.158,451 0.244,452 0.3,454 0.611,455 0.219,456 1.128,457 0.51,458 2.69,459 0.714,460 -0.205,461 -0.255,463 -0.496,464 -0.161,465 1.019,466 0.51,467 2.509,468 0.554,469 -0.289,470 -0.356,472 -0.632,473 -0.226,474 13.371,475 0.461,476 0.953,477 0.033,478 40,479 1.379,480 21,481 0.724,482 19,483 0.655,484 20.115,485 0.694,486 31.629,487 0.736,488 32.992,489 1.138,490 8.365,491 0.288,492 5.354,493 0.185,494 0.18,495 0.037,496 0.292,498 3,501 0.65,502 0.998,503 0.518,504 1.014,505 0.611,506 0.874,507 0.506,508 0.706,509 0.595,510 0.84,511 0.391,512 0.844,513 0.937,514 0.979,515 0.98,516 1.154,517 0.635,518 1.087,519 1.355,520 0.869,521 1.207,522 0.947,523 1.222,524 1.056,525 0.895,526 0.758,527 0.762,528 0.856,529 0.961,530 0.929,531 0.543,532 0.544,533 0.812,534 0.848,535 0.597,536 1.051,537 0.346,538 0.655,539 1.057,540 1.185,541 0.379,542 1.217,543 0.674,544 1.032,545 0.593,546 1.09,547 0.595,548 1.033,549 8,550 0.182,551 3.778,552 1.875,553 1.547,554 0.944,555 0.626,556 0.382,557 0.304,558 0.242,559 12045,560 51861,561 1.985,562 32.6,564 13,566 1,572 1.711,573 1.822,574 3.723,575 -0.683,582 82.078,583 1.909,584 3.455,585 4.107,586 4.647,587 4.74,588 4.833,589 3.263,590 4.28,591 4.828,592 3.946,593 1602,594 8.364,595 23284.5,600 233.329,601 1.658,602 4.76,603 0.258,604 0.009,605 0.086,606 0.044,607 0.043,608 0.029,609 0.021,610 0.014,611 0.012,612 0.01,613 0.525,614 0.33,615 1,616 0.805,617 151.875,618 -0.048,619 -0.132,620 0.017,621 -0.112,622 -0.105,623 -0.043,624 0.383,625 0.31,626 0.116,627 0.076,628 0.428,629 0.001,630 -0.148,631 -0.211,632 -0.107,633 -0.22,634 -0.012,635 -0.152,636 -0.264,637 0.07,638 -0.286,639 -0.011,640 -0.181,641 -0.129,642 -0.077,643 -0.001,644 0.027,645 0.059,646 -0.116,647 0.075,648 0.165,649 0.105,650 0.021,651 0.084,652 0.041,653 -0.029,654 0.27,655 -0.027,656 0.059,657 -0.175,658 0.138,659 -0.086,660 0.054,661 -0.239,662 0.254,663 -0.117,664 0.091,665 0.081,666 5.712,667 5.224,668 0.621,669 33.241,670 1.049,671 1.137,672 4.075,673 16.608,674 0.701,675 3.466,676 3.807,677 3.97,678 4.111,679 4.317,680 4.317,681 4.369,682 4.394,683 4.419,684 4.489,685 8.14,686 0.706,687 422.81,688 3.466,689 5.017,690 5.838,691 6.703,692 7.538,693 8.401,694 9.241,695 10.103,696 10.945,697 11.806,698 4.7,705 1,708 1,715 11,716 1,720 6,722 18,737 1,739 1,740 1,741 43,743 19,744 2,745 31,747 45,748 20,749 17,750 4,751 8,756 3,757 3,758 1,763 1,769 1,772 18,773 2,777 1,782 1,786 1,791 3,793 14,794 8,796 9,797 1,802 2,808 1,809 3,822 1,829 3,859 3,864 1,865 1,866 3,868 29,878 2,881 1,882 1,892 4,893 7,896 1,898 2,901 15.917,902 8.138,903 6.222,904 2.303,907 3.075,908 1.424,909 0.967,910 6.308,911 10.328,912 3.738,913 4.324,914 4.802,915 5.286,916 5.816,917 5.86,918 6.131,919 6.386,920 6.645,921 7.015,922 1,923 43,924 11.098,926 5.132,927 0.026,929 8.398,931 19.087,933 14.948,936 2.898,937 84.028,941 164.795,942 151.473,943 19.91,944 39.149,945 47.145,946 44.88,948 151.473,949 251.089,950 64.79,951 8.396,952 3.124,953 94.762,954 53.702,955 95.857,956 11.577,957 153.024,958 46.908,959 164.795,960 171.383,961 92.025,962 39.149,964 164.795,965 92.025,968 19.931,969 134.666,970 55.934,972 209.676,973 67.055,974 190.621,977 172.555,978 31.507,979 115.331,981 147.959,982 164.795,983 111.935,984 190.621,986 0.596,987 0.327,988 0.151,989 0.083,990 20,991 10,992 0.111,993 5,995 1,996 4.101,997 236.273,999 18,1000 128.127,1005 20.968,1006 8.724,1007 5.626,1009 111.935,1010 15.356,1011 3.631,1015 0.884,1018 467.352,1019 41,1024 12.224,1028 -0.606,1031 45.116,1032 48.91,1034 0.352,1035 0.637,1036 0.757,1037 0.856,1038 0.874,1039 0.891,1040 4.98,1041 1.554,1042 5.866,1043 5.031,1044 4.489,1045 5.011,1046 3.45,1047 6.671,1048 4.317,1049 6.206,1050 1,1051 7.44,1052 4.591,1053 4.29,1054 4.82,1055 4.006,1056 7.779,1057 3.895,1058 7.519,1059 1,1060 9.121,1061 2.275,1062 6.142,1063 7.145,1064 5.561,1065 10.728,1066 5.778,1067 8.861,1068 1,1069 10.868,1070 2.275,1071 6.698,1072 7.639,1073 6.735,1074 12.639,1075 6.097,1076 10.229,1077 0.78,1078 12.657,1079 2.275,1080 8.1,1081 9.51,1082 8.102,1083 15.207,1084 7.505,1085 11.615,1086 0.244,1087 14.479,1088 1.92,1089 8.983,1090 10.327,1091 9.406,1092 17.439,1093 8.167,1094 13.014,1095 -0.205,1096 16.326,1097 0.611,1098 10.224,1099 11.983,1100 10.748,1101 19.906,1102 9.371,1103 3.314,1104 -0.289,1105 18.192,1106 -0.496,1107 11.259,1108 12.984,1109 12.081,1110 22.265,1111 10.208,1112 2.96,1113 11.657,1114 20.074,1115 -0.632,1116 12.444,1117 14.518,1118 13.421,1119 24.709,1120 11.316,1121 2.711,1122 9.439,1123 21.969,1124 3.846,1125 13.551,1126 15.634,1127 14.76,1128 27.12,1129 12.243,1130 2.491,1131 7.806,1132 23.875,1133 3.719,1134 14.72,1135 17.092,1136 16.101,1137 29.562,1138 13.308,1139 2.337,1140 7.147,1141 25.791,1142 3.637,1143 15.863,1144 18.281,1145 17.442,1146 31.995,1147 14.283,1148 2.079,1149 6.281,1150 27.713,1151 3.19,1152 17.033,1153 19.691,1154 18.783,1155 34.44,1156 15.327,1157 1.762,1158 5.94,1159 29.641,1160 3.061,1161 18.194,1162 20.929,1163 20.125,1164 36.883,1165 16.329,1166 11764,1167 24638,1168 19.879,1169 30.137,1170 47.341,1171 46.778,1172 47.64,1173 46.9,1174 46.462,1175 60.538,1176 15.356,1177 134.493,1178 42.462,1179 5.312,1180 6.46,1181 6.525,1182 5.271,1183 5.314,1184 6.846,1185 5.529,1186 18.535,1187 4.856,1188 17.882,1189 1.527,1190 1.509,1191 1.537,1192 1.513,1193 1.499,1194 1.953,1195 0.495,1196 4.338,1197 1.37,1198 3.973,1199 3.994,1200 4.006,1201 3.869,1202 8.513,1203 3.874,1204 3.904,1205 3.932,1206 3.911,1207 3.819,1208 7.999,1209 3.822,1210 3.834,1211 3.859,1212 3.8,1213 3.735,1214 7.999,1215 3.744,1216 3.473,1217 3.51,1218 3.537,1219 3.215,1220 7.433,1221 3.254,1222 3.308,1223 3.347,1224 3.337,1225 2.994,1226 5.007,1227 3.056,1228 3.029,1229 3.057,1230 3.169,1231 2.765,1232 4.939,1233 2.8,1234 2.854,1235 2.925,1236 2.863,1237 2.735,1238 4.766,1239 2.715,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 4.395,1245 2.715,1246 0.143,1247 0.144,1248 0.229,1249 0.134,1250 0.107,1251 4.44,1252 0.124,1253 4.46,1254 0.123,1255 7.111,1256 0.376,1257 4.168,1258 0.092,1259 3.314,1260 3.846,1261 3.825,1262 11.657,1263 2.856,1264 1.896,1265 1.875,1266 1.988,1267 2.024,1268 1.081,1269 2.01,1270 1.875,1271 1.853,1272 1.968,1273 1.986,1274 1.043,1275 1.982,1276 1.798,1277 1.771,1278 1.892,1279 1.916,1280 0.959,1281 1.911,1282 1.359,1283 1.306,1284 1.621,1285 1.629,1286 0.677,1287 1.623,1288 1.074,1289 1.053,1290 1.181,1291 1.426,1292 0.22,1293 1.317,1294 0.897,1295 0.868,1296 1.181,1297 1.237,1298 0.218,1299 1.186,1300 0.886,1301 0.821,1302 1.164,1303 1.062,1304 0.218,1305 1.107,1306 0.886,1307 0.821,1308 1.072,1309 1.062,1310 0.098,1311 1.107,1312 4.143,1314 5.476,1316 6.987,1318 8.568,1320 10.183,1322 1.555,1323 5.825,1324 37.639,1330 10.669,1333 1.312,1334 -4.462,1340 30.379,1341 82.078,1342 148.547,1343 176.6,1344 199.82,1345 203.82,1346 207.82,1347 67.077,1348 7.253,1349 51.66,1350 51.66,1351 18,1352 12.359,1353 4.322,1354 3.459,1355 53.006,1356 145,1357 128,1358 0.179,1359 188.668,1360 340.17,1361 452.11,1362 14537,1363 9.3,1364 21.018,1365 0.725,1366 0.543,1367 19.018,1368 15.738,1369 13.719,1370 0.443,1371 0.278,1372 8.083,1373 12.637,1374 7.922,1375 6.536,1376 12.797,1377 8.623,1378 13.298,1379 0.302,1380 0.143,1381 11.749,1382 6.296,1383 10.111,1384 0.194,1385 0.078,1386 9.464,1387 4.055,1388 7.455,1389 0.124,1390 0.04,1391 6.922,1392 2.37,1393 5.96,1394 0.081,1395 0.021,1396 5.91,1397 1.566,1398 0.293,1399 91.028,1400 0.224,1401 28.37,1402 0.458,1403 150,1404 717.034,1405 197.743,1406 630.446,1407 811.22,1408 582,1409 171,1410 549.678,1411 205.698,1412 540.484,1413 804.63,1414 505,1415 4.301}
{0 CHEMBL241762,1 1.8,2 13.467,3 5.251,4 27.57,5 102.272,6 8.902,7 0.563,8 3.979,9 4.062,10 3.672,11 3.457,12 5.265,13 3.503,14 4.491,15 4.618,16 4.098,17 3.769,18 6.214,19 3.822,20 4.611,21 4.741,22 4.094,23 3.859,24 5.972,25 3.905,26 4.727,27 4.882,28 4.035,29 3.81,30 6.19,31 3.857,32 4.659,33 4.832,34 3.908,35 3.81,36 6.004,37 3.806,38 4.611,39 4.802,40 3.759,41 3.783,42 5.906,43 3.721,44 4.548,45 4.779,46 3.615,47 3.675,48 5.679,49 3.603,50 4.32,51 4.498,52 3.66,53 3.523,54 5.627,55 3.524,56 0.267,57 0.839,58 6.303,59 4.394,60 28.445,61 4.299,62 1.176,63 1.609,64 15.439,65 6.712,66 147.088,67 6.76,68 0.757,69 1.377,70 16.466,71 7.855,72 53.901,73 7.937,74 1.275,75 1.508,76 22.38,77 8.091,78 125.434,79 7.516,80 1.121,81 1.27,82 21.14,83 7.928,84 99.583,85 8.601,86 1.03,87 1.078,88 20.605,89 8.299,90 90.92,91 10.137,92 0.9,93 1.033,94 22.933,95 8.225,96 95.386,97 10.672,98 0.55,99 1.051,100 14.472,101 6.518,102 46.328,103 7.366,104 41,105 45,106 0.306,107 0.589,108 0.716,109 0.814,110 0.849,111 0.864,112 3.44,113 0.813,114 -4.53,115 -4.46,116 -4.2,121 44.7,126 2,134 1,144 10,145 1,146 4,147 1,149 1,161 1,176 7,179 4,180 9,187 5,191 1,192 10,200 3,206 11,214 2,218 3,219 10,227 4,232 2,239 6,243 3,244 3,251 8,256 3,264 6,268 2,269 4,277 2,281 1496,282 19.703,283 19.703,284 19.703,285 19.703,286 19.703,287 17.438,288 24.013,289 11.445,290 20.52,291 15.696,292 15.696,293 15.696,294 15.696,295 15.696,296 12.239,297 28.291,298 5.329,299 17.016,300 3.755,301 2.091,302 1.342,303 0.763,304 0.559,305 0.474,306 4.117,311 1,312 1,313 846,314 4.243,318 349.765,325 2.302,326 50.39,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 69.5,338 404,339 4.44,340 4.46,341 7.111,342 4.168,343 3.314,344 3.887,345 3.825,346 11.657,347 2.875,348 4.339,349 3.811,350 6.584,351 4.003,352 3.062,353 3.845,354 2.208,355 10.314,356 2.856,357 4.082,358 3.1,359 5.699,360 3.659,361 2.726,362 3.649,363 0.86,364 7.864,365 2.544,366 3.843,367 3.058,368 5.584,369 3.44,370 2.526,371 3.183,372 0.86,373 7.484,374 2.289,375 3.672,376 2.669,377 5.281,378 3.248,379 2.302,380 2.967,381 0.655,382 6.577,383 2.149,384 3.35,385 2.327,386 4.977,387 2.943,388 2.013,389 2.608,390 0.13,391 5.871,392 1.858,393 2.917,394 2.179,395 4.558,396 2.486,397 1.572,398 2.088,400 4.609,401 1.441,402 2.908,403 1.909,404 4.415,405 2.464,406 1.515,407 2.02,409 3.996,410 1.403,411 2.86,412 1.616,413 3.665,414 2.398,415 1.411,416 1.961,418 3.055,419 1.362,420 2.5,421 1.041,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1,431 3.414,432 1.959,433 1,434 1.5,436 2.275,437 0.956,438 2.039,439 1,440 3.405,441 1.688,442 0.737,443 0.906,445 1.746,446 0.692,447 1.586,448 0.937,449 3.025,450 1.302,451 0.431,452 0.482,454 0.713,455 0.372,456 1.532,457 0.888,458 2.744,459 1.15,460 0.233,461 0.286,463 0.537,464 0.21,465 1.127,466 0.51,467 2.637,468 0.711,469 -0.224,470 -0.284,472 -0.551,473 -0.206,474 13.49,475 0.45,476 0.898,477 0.03,478 41.25,479 1.375,480 21.5,481 0.717,482 19.75,483 0.658,484 20.844,485 0.695,486 33.31,487 0.709,488 35.198,489 1.173,490 8.792,491 0.293,492 5.482,493 0.183,494 0.162,495 0.037,496 0.289,498 3,501 0.681,502 1.054,503 0.602,504 1.176,505 0.612,506 0.959,507 0.615,508 0.691,509 0.668,510 0.848,511 0.414,512 0.806,513 0.912,514 1.016,515 0.835,516 1.168,517 0.623,518 1.037,519 1.336,520 0.914,521 1.235,522 0.983,523 1.185,524 1.034,525 0.871,526 0.74,527 1.06,528 0.914,529 0.857,530 1.02,531 0.487,532 0.605,533 0.94,534 1.05,535 0.548,536 1.18,537 0.533,538 0.545,539 0.756,540 0.791,541 0.535,542 0.878,543 0.779,544 1.059,545 0.774,546 1.178,547 0.615,548 1.056,549 7.5,550 0.186,551 3.778,552 2.125,553 1.747,554 0.951,555 0.626,556 0.42,557 0.267,558 0.248,559 12878,560 50446,561 1.985,562 36.2,564 16,566 1,572 1.721,573 1.827,574 3.68,575 -0.693,582 84.585,583 1.8,584 3.463,585 4.212,586 4.791,587 4.996,588 5.081,589 3.095,590 4.39,591 4.879,592 3.93,593 1709.41,594 8.468,595 25387.7,600 261.066,601 1.636,602 4.812,603 0.234,604 0.009,605 0.084,606 0.046,607 0.043,608 0.026,609 0.02,610 0.015,611 0.009,612 0.01,613 0.496,614 0.17,615 1,616 0.888,617 158.348,618 -0.053,619 -0.156,620 0.04,621 -0.156,622 -0.105,623 -0.057,624 0.33,625 0.32,626 0.176,627 0.124,628 0.417,629 0.084,630 -0.105,631 -0.203,632 -0.008,633 -0.201,634 0.001,635 -0.105,636 -0.243,637 0.042,638 -0.273,639 -0.045,640 -0.156,641 -0.137,642 -0.042,643 0.017,644 -0.131,645 0.022,646 -0.074,647 -0.051,648 0.172,649 0.029,650 -0.009,651 -0.083,652 0.066,653 -0.123,654 0.125,655 0.041,656 0.277,657 0.187,658 0.057,659 0.26,660 -0.014,661 -0.229,662 0.155,663 -0.168,664 0.063,665 -0.008,666 5.714,667 5.385,668 0.6,669 33.858,670 1.043,671 1.14,672 3.303,673 10.912,674 0.67,675 3.497,676 3.829,677 4.025,678 4.19,679 4.369,680 4.331,681 4.394,682 4.454,683 4.466,684 4.543,685 8.159,686 0.676,687 418.4,688 3.497,689 5.043,690 5.872,691 6.742,692 7.585,693 8.453,694 9.301,695 10.167,696 11.017,697 11.883,698 4.3,705 1,708 1,715 11,716 1,720 6,722 18,737 1,739 2,741 47,743 19,744 2,745 32,747 49,748 21,749 17,750 4,751 8,756 3,757 3,763 1,769 1,772 18,773 3,777 1,782 1,786 1,791 3,793 17,794 9,796 9,802 2,808 1,809 4,822 1,829 3,859 3,864 2,866 3,868 30,878 3,881 1,882 1,892 3,893 8.5,896 1,898 3,901 16.417,902 9.162,903 6.583,904 2.482,907 3.165,908 1.431,909 0.954,910 6.604,911 10.504,912 3.761,913 4.337,914 4.838,915 5.331,916 5.838,917 5.868,918 6.15,919 6.431,920 6.689,921 7.047,922 0.889,923 46,924 11.479,926 5.25,927 0.026,929 8.347,931 19.836,933 15.363,936 2.847,937 85.417,941 200.109,942 164.099,943 19.91,945 58.145,946 44.88,948 164.099,949 258.253,950 64.79,951 19.279,952 3.124,953 94.762,954 53.702,955 108.6,956 11.577,957 188.338,958 7.76,959 200.109,960 184.008,961 103.025,964 200.109,965 103.025,968 19.931,969 147.292,970 16.786,972 244.989,973 78.054,974 164.099,977 207.868,978 33.25,979 126.214,981 119.81,982 200.109,983 122.935,984 164.099,986 0.588,987 0.336,988 0.166,989 0.088,990 20,991 10,992 0.122,993 6,995 1,996 4.143,997 249.533,999 18,1000 138.452,1005 21.627,1006 9.161,1007 5.511,1009 122.935,1010 15.685,1011 3.638,1015 0.776,1018 487.142,1019 42,1024 12.385,1028 -0.627,1031 49.003,1032 53.59,1034 0.324,1035 0.623,1036 0.758,1037 0.863,1038 0.899,1039 0.915,1040 5.001,1041 1.515,1042 5.894,1043 4.609,1044 4.511,1045 5.024,1046 3.496,1047 6.715,1048 4.354,1049 6.22,1050 1.411,1051 7.476,1052 3.996,1053 4.29,1054 4.82,1055 4.006,1056 7.851,1057 3.943,1058 7.533,1059 1,1060 9.168,1061 3.055,1062 6.172,1063 7.163,1064 5.565,1065 10.83,1066 5.832,1067 8.88,1068 1,1069 10.927,1070 2.275,1071 6.735,1072 7.681,1073 6.735,1074 12.764,1075 6.185,1076 10.254,1077 0.737,1078 12.731,1079 2.275,1080 8.148,1081 9.552,1082 8.102,1083 15.348,1084 7.589,1085 11.648,1086 0.431,1087 14.565,1088 1.746,1089 9.046,1090 10.412,1091 9.406,1092 17.585,1093 8.29,1094 13.057,1095 0.233,1096 16.421,1097 0.713,1098 10.293,1099 12.063,1100 10.748,1101 20.057,1102 9.492,1103 3.314,1104 -0.224,1105 18.296,1106 0.537,1107 11.34,1108 13.112,1109 12.081,1110 22.413,1111 10.364,1112 3.062,1113 11.657,1114 20.184,1115 -0.551,1116 12.528,1117 14.64,1118 13.421,1119 24.855,1120 11.476,1121 2.726,1122 10.314,1123 22.084,1124 3.887,1125 13.642,1126 15.801,1127 14.76,1128 27.258,1129 12.433,1130 2.526,1131 7.864,1132 23.993,1133 3.845,1134 14.814,1135 17.257,1136 16.101,1137 29.694,1138 13.505,1139 2.302,1140 7.484,1141 25.909,1142 3.649,1143 15.96,1144 18.487,1145 17.442,1146 32.118,1147 14.505,1148 2.013,1149 6.577,1150 27.831,1151 3.183,1152 17.13,1153 19.899,1154 18.783,1155 34.555,1156 15.561,1157 1.572,1158 5.871,1159 29.759,1160 2.967,1161 18.292,1162 21.173,1163 20.125,1164 36.99,1165 16.583,1166 12617,1167 25270,1168 20.572,1169 31.495,1170 48.382,1171 48.061,1172 49.14,1173 47.916,1174 47.685,1175 61.764,1176 17.076,1177 137.947,1178 44.016,1179 5.318,1180 6.46,1181 6.803,1182 5.273,1183 5.314,1184 6.887,1185 5.529,1186 18.746,1187 4.875,1188 18.181,1189 1.512,1190 1.502,1191 1.536,1192 1.497,1193 1.49,1194 1.93,1195 0.534,1196 4.311,1197 1.376,1198 3.976,1199 3.997,1200 3.935,1201 3.862,1202 8.513,1203 3.873,1204 3.909,1205 3.935,1206 3.866,1207 3.811,1208 7.999,1209 3.817,1210 3.834,1211 3.86,1212 3.79,1213 3.735,1214 7.999,1215 3.744,1216 3.471,1217 3.513,1218 3.416,1219 3.202,1220 7.433,1221 3.243,1222 3.308,1223 3.347,1224 3.321,1225 2.993,1226 5.005,1227 3.055,1228 3.249,1229 3.315,1230 3.063,1231 2.966,1232 4.863,1233 2.977,1234 3.028,1235 3.057,1236 2.915,1237 2.759,1238 4.763,1239 2.792,1240 2.854,1241 2.925,1242 2.691,1243 2.735,1244 4.394,1245 2.715,1246 0.139,1247 0.139,1248 0.222,1249 0.13,1250 0.104,1251 4.44,1252 0.121,1253 4.46,1254 0.12,1255 7.111,1256 0.364,1257 4.168,1258 0.09,1259 3.314,1260 3.887,1261 3.825,1262 11.657,1263 2.875,1264 1.896,1265 1.876,1266 1.998,1267 2.028,1268 1.085,1269 2.014,1270 1.875,1271 1.853,1272 1.974,1273 1.999,1274 1.043,1275 1.988,1276 1.798,1277 1.771,1278 1.892,1279 1.919,1280 0.959,1281 1.912,1282 1.363,1283 1.305,1284 1.635,1285 1.645,1286 0.682,1287 1.635,1288 1.197,1289 1.124,1290 1.573,1291 1.511,1292 0.574,1293 1.532,1294 1.074,1295 1.053,1296 1.181,1297 1.426,1298 0.22,1299 1.317,1300 0.897,1301 0.868,1302 1.165,1303 1.237,1304 0.218,1305 1.188,1306 0.886,1307 0.821,1308 1.134,1309 1.062,1310 0.189,1311 1.107,1312 4.174,1314 5.501,1316 7.017,1318 8.608,1320 10.237,1322 3.052,1324 37.71,1330 15.962,1333 1.301,1334 -4.464,1340 31.793,1341 84.585,1342 162.773,1343 197.972,1344 225.191,1345 234.801,1346 238.801,1347 69.985,1348 7.338,1349 60.89,1350 60.89,1351 18,1352 12.432,1353 4.322,1354 3.459,1355 55.827,1356 150,1357 122,1358 0.182,1359 193.924,1360 351.05,1361 464.934,1362 16308,1363 6.4,1364 21.725,1365 0.724,1366 0.534,1367 19.225,1368 16.012,1369 14.274,1370 0.446,1371 0.271,1372 8.441,1373 13.35,1374 8.272,1375 6.873,1376 13.063,1377 8.674,1378 13.395,1379 0.298,1380 0.135,1381 11.437,1382 6.055,1383 10.475,1384 0.19,1385 0.073,1386 9.539,1387 4.035,1388 8.036,1389 0.124,1390 0.038,1391 7.337,1392 2.479,1393 6.337,1394 0.081,1395 0.02,1396 6.073,1397 1.581,1398 0.296,1399 92.297,1400 0.22,1401 29.055,1402 0.468,1403 154,1404 738.566,1405 189.102,1406 614.55,1407 800.84,1408 570,1409 177,1410 564.361,1411 205.151,1412 545.423,1413 812.52,1414 508,1415 4.301}
{0 CHEMBL241827,1 1.409,2 13.806,3 4.761,4 22.665,5 123.128,6 7.42,7 0.529,8 4.116,9 4.213,10 3.687,11 3.678,12 5.237,13 3.66,14 4.633,15 4.789,16 4.015,17 4.039,18 5.691,19 4.013,20 4.816,21 4.959,22 4.127,23 4.195,24 5.902,25 4.143,26 4.983,27 5.194,28 4.078,29 4.195,30 6.014,31 4.114,32 4.935,33 5.136,34 3.992,35 4.172,36 5.979,37 4.079,38 4.913,39 5.141,40 3.867,41 4.125,42 5.914,43 4.004,44 4.81,45 5.046,46 3.712,47 3.993,48 5.775,49 3.871,50 4.588,51 4.8,52 3.617,53 3.835,54 5.559,55 3.732,56 0.001,57 0.709,58 11.145,59 5.438,60 7.661,61 6.673,62 0.219,63 1.166,64 21.444,65 8.546,66 22.163,67 10.557,68 0.225,69 1.371,70 25.096,71 10.916,72 28.622,73 13.578,74 0.47,75 1.6,76 32.934,77 12.631,78 50.931,79 16.642,80 0.5,81 1.517,82 31.114,83 12.169,84 52.843,85 15.791,86 0.339,87 1.473,88 30.906,89 12.531,90 52.01,91 16.757,92 0.37,93 1.313,94 28.638,95 11.141,96 49.974,97 14.765,98 0.168,99 1.076,100 21.757,101 8.858,102 31.943,103 11.657,104 21,105 47,106 0.23,107 0.528,108 0.682,109 0.776,110 0.807,111 0.819,112 3.471,113 0.89,114 -4.73,115 -4.65,116 -4.37,121 46.4,126 3,127 2,137 1,140 1,144 11,145 4,146 3,159 1,176 13,180 10,187 15,191 1,192 11,200 10,205 2,206 9,214 6,218 2,219 6,227 10,231 1,232 4,239 14,243 1,244 5,251 14,256 4,264 9,268 1,269 6,277 5,281 1660,282 21.204,283 21.204,284 21.204,285 21.204,286 21.204,287 18.769,288 25.768,289 12.489,290 21.723,291 16.685,292 16.685,293 16.685,294 16.685,295 16.685,296 12.844,297 34.775,298 5.808,299 17.334,300 4.398,301 2.57,302 1.626,303 1.054,304 0.862,305 0.79,306 4.169,311 1,312 1,313 924,314 3.391,318 398.466,322 151.238,325 2.225,326 25.415,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 66.5,338 428,339 4.52,340 3.615,341 6.585,342 4.136,343 3.163,344 4.184,345 0.995,346 10.507,347 3.086,348 4.206,349 3.169,350 6.144,351 3.805,352 2.834,353 3.797,354 0.86,355 9.074,356 2.759,357 3.96,358 3.062,359 5.966,360 3.636,361 2.674,362 3.457,363 0.86,364 8.327,365 2.578,366 3.905,367 2.98,368 5.567,369 3.529,370 2.55,371 3.371,372 0.86,373 7.629,374 2.482,375 3.698,376 2.679,377 5.322,378 3.354,379 2.369,380 3.03,381 0.359,382 6.92,383 2.325,384 3.332,385 2.498,386 5.089,387 2.939,388 1.98,389 2.549,391 5.905,392 1.879,393 3.186,394 2.195,395 4.68,396 2.891,397 1.939,398 2.306,400 5.112,401 1.835,402 2.973,403 2.149,404 4.488,405 2.527,406 1.57,407 2.116,409 4.395,410 1.495,411 2.802,412 1.66,413 4.287,414 2.394,415 1.423,416 1.874,418 3.801,419 1.38,420 2.707,421 1.483,422 3.571,423 2.279,424 1.336,425 1.714,427 2.987,428 1.243,429 2.5,430 1.264,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.5,439 1.013,440 3.378,441 2,442 1,443 1.5,445 2.136,446 1,447 1.975,448 1,449 3.247,450 1.614,451 0.69,452 0.835,454 1.461,455 0.627,456 1.497,457 1,458 2.911,459 1.225,460 0.377,461 0.409,463 0.524,464 0.317,465 1.321,466 0.605,467 2.847,468 1.055,469 0.09,470 0.104,472 0.227,473 0.086,474 14.733,475 0.475,476 0.691,477 0.022,478 42,479 1.355,480 22.5,481 0.726,482 19.5,483 0.629,484 23.771,485 0.767,486 32.667,487 0.583,488 33.572,489 1.083,490 8.841,491 0.285,492 6.227,493 0.201,494 0.124,496 0.333,501 0.788,502 1.223,503 0.767,504 1.103,505 0.637,506 0.96,507 1.259,508 0.829,509 0.884,510 0.786,511 0.773,512 0.762,513 0.991,514 1.25,515 1.015,516 1.202,517 0.92,518 1.129,519 0.907,520 1.024,521 0.922,522 0.985,523 0.864,524 0.956,525 0.983,526 1.007,527 1.059,528 1.02,529 0.96,530 1.044,531 0.757,532 1.001,533 0.96,534 1.037,535 0.967,536 1.035,537 0.992,538 0.867,539 0.992,540 0.898,541 1.386,542 0.943,543 0.908,544 1.088,545 1.006,546 1.083,547 1.1,548 1.065,549 6.5,550 0.144,551 3.111,552 1.938,553 2.142,554 1.201,555 0.685,556 0.401,557 0.233,558 0.244,559 14244,560 36141,561 2.084,562 44.6,564 25,572 1.732,573 1.958,574 3.721,575 -0.831,582 78.904,583 1.409,584 3.237,585 4.181,586 4.753,587 4.945,588 5.017,589 3.256,590 4.607,591 4.922,592 3.905,593 1816,594 8.572,595 26778,597 1,600 325.212,601 1.383,602 4.888,603 0.191,604 0.006,605 0.066,606 0.039,607 0.047,608 0.029,609 0.019,610 0.013,611 0.008,612 0.01,613 0.426,614 0.33,615 1,616 0.796,617 163.807,618 -0.001,619 -0.149,620 0.068,621 -0.085,622 -0.039,623 -0.013,624 -0.15,625 0.243,626 0.057,627 0.186,628 -0.02,629 0.168,630 0.027,631 -0.234,632 -0.098,633 -0.205,634 0.003,635 -0.179,636 0.118,637 -0.025,638 0.069,639 -0.015,640 0.11,641 0.015,642 0.061,643 -0.014,644 -0.079,645 -0.043,646 0.047,647 -0.075,648 0.068,649 -0.044,650 0.014,651 -0.042,652 0.09,653 -0.026,654 -0.044,655 0.085,656 0.009,657 0.09,658 -0.11,659 0.06,660 -0.046,661 -0.109,662 -0.043,663 -0.093,664 -0.088,665 -0.072,666 1.788,667 5.664,668 0.71,669 36.701,670 1,671 1.113,672 3.501,673 12.256,674 0.678,675 3.555,676 3.871,677 4.143,678 4.407,679 4.663,680 4.745,681 4.875,682 4.997,683 5.106,684 5.165,685 7.932,686 0.646,687 415.52,688 3.555,689 5.094,690 5.943,691 6.819,692 7.685,693 8.567,694 9.44,695 10.326,696 11.205,697 12.094,698 1.8,701 1,715 11,720 7,722 18,727 1,739 3,741 56,743 20,744 3,745 34,747 59,748 26,749 18,750 7,751 11,752 3,756 4,757 5,772 21,773 5,777 2,782 1,784 1,786 2,793 25,794 5,796 5,802 1,808 0.75,809 4,829 4,833 1,849 2,855 1,859 3,864 3,868 31,876 2,878 3,881 1,893 7.1,896 1,898 3,901 15.833,902 11.117,903 6.944,904 3.108,907 3.563,908 1.45,909 0.98,910 6.402,911 11.479,912 3.829,913 4.413,914 4.985,915 5.535,916 6.089,917 6.311,918 6.657,919 7.005,920 7.37,921 7.684,922 1,923 50,924 11.446,926 4.783,927 0.026,929 7.677,931 21.9,933 17.597,936 2.177,937 67.5,940 1,941 294.278,942 186.938,943 3.124,945 58.145,948 186.938,949 352.422,950 3.124,951 30.162,952 4.211,953 113.715,954 35.522,955 64.597,957 294.278,959 294.278,960 190.063,961 58.145,964 294.278,965 58.145,968 7.336,969 168.007,970 14.72,972 294.278,973 61.269,974 186.938,977 294.278,978 43.061,979 147.002,981 58.145,982 294.278,983 61.269,984 186.938,986 0.575,987 0.342,988 0.188,989 0.104,990 22,991 10,992 0.119,993 7,994 1,995 1.091,996 4.285,997 274.464,998 0.091,999 22,1000 145.58,1005 21.165,1006 9.377,1007 4.816,1009 61.269,1010 21.833,1015 5.269,1018 542.485,1019 45,1024 12.664,1026 1.519,1028 0.401,1031 56.014,1032 62.318,1034 0.243,1035 0.557,1036 0.72,1037 0.819,1038 0.852,1039 0.864,1040 5.059,1041 1.57,1042 5.922,1043 5.112,1044 4.554,1045 5.1,1046 2.013,1047 6.72,1048 4.488,1049 6.261,1050 1.423,1051 7.471,1052 4.395,1053 4.111,1054 4.832,1055 0.325,1056 7.573,1057 4.021,1058 7.562,1059 1.336,1060 9.117,1061 3.801,1062 6.138,1063 7.26,1064 1.747,1065 10.659,1066 6.019,1067 8.897,1068 1,1069 10.818,1070 2.987,1071 6.494,1072 7.779,1073 0.504,1074 12.313,1075 6.348,1076 10.26,1077 1,1078 12.555,1079 2.275,1080 7.984,1081 9.682,1082 1.534,1083 14.912,1084 7.817,1085 11.645,1086 0.69,1087 14.317,1088 2.136,1089 8.721,1090 10.59,1091 0.585,1092 16.92,1093 8.525,1094 13.047,1095 0.377,1096 16.096,1097 1.461,1098 9.987,1099 12.251,1100 1.356,1101 19.342,1102 9.773,1103 3.163,1104 0.09,1105 17.889,1106 0.524,1107 10.916,1108 13.372,1109 0.622,1110 21.518,1111 10.672,1112 2.834,1113 10.507,1114 19.693,1115 0.227,1116 12.087,1117 14.911,1118 1.208,1119 23.875,1120 11.824,1121 2.674,1122 9.074,1123 21.506,1124 4.184,1125 13.113,1126 16.154,1127 0.639,1128 26.132,1129 12.821,1130 2.55,1131 8.327,1132 23.326,1133 3.797,1134 14.248,1135 17.629,1136 1.086,1137 28.469,1138 13.936,1139 2.369,1140 7.629,1141 25.153,1142 3.457,1143 15.323,1144 18.944,1145 0.646,1146 30.767,1147 14.985,1148 1.98,1149 6.92,1150 26.985,1151 3.371,1152 16.448,1153 20.387,1154 0.986,1155 33.101,1156 16.088,1157 1.939,1158 5.905,1159 28.822,1160 3.03,1161 17.55,1162 21.744,1163 0.648,1164 35.419,1165 17.164,1166 13544,1167 21780,1168 22.77,1169 37.96,1170 50.464,1171 51.96,1172 52.048,1173 49.916,1174 49.988,1175 65.491,1176 7.867,1177 142.561,1178 48.184,1179 5.395,1180 5.615,1181 6.387,1182 5.236,1183 5.163,1184 7.184,1185 1.855,1186 17.469,1187 5.086,1188 14.975,1189 1.484,1190 1.528,1191 1.531,1192 1.468,1193 1.47,1194 1.926,1195 0.231,1196 4.193,1197 1.417,1198 4.043,1199 4.056,1200 4.006,1201 3.961,1202 7.428,1203 3.968,1204 3.926,1205 3.954,1206 3.862,1207 3.852,1208 4.977,1209 3.849,1210 3.869,1211 3.891,1212 3.807,1213 3.811,1214 4.782,1215 3.809,1216 3.564,1217 3.613,1218 3.49,1219 3.403,1220 4.746,1221 3.418,1222 3.445,1223 3.483,1224 3.333,1225 3.246,1226 4.555,1227 3.258,1228 3.249,1229 3.314,1230 3.066,1231 2.964,1232 4.492,1233 2.972,1234 3.148,1235 3.219,1236 2.984,1237 2.943,1238 4.186,1239 2.946,1240 3.012,1241 3.062,1242 2.897,1243 2.847,1244 3.992,1245 2.837,1246 0.133,1247 0.106,1248 0.194,1249 0.122,1250 0.093,1251 4.52,1252 0.123,1253 3.615,1254 0.029,1255 6.585,1256 0.309,1257 4.136,1258 0.091,1259 3.163,1260 4.184,1261 0.995,1262 10.507,1263 3.086,1264 1.979,1265 1.966,1266 2.075,1267 2.077,1268 1.238,1269 2.072,1270 1.915,1271 1.888,1272 2.031,1273 2.018,1274 1.146,1275 2.021,1276 1.863,1277 1.845,1278 1.95,1279 1.949,1280 1.084,1281 1.956,1282 1.513,1283 1.469,1284 1.734,1285 1.725,1286 0.867,1287 1.731,1288 1.385,1289 1.337,1290 1.601,1291 1.614,1292 0.642,1293 1.605,1294 1.191,1295 1.116,1296 1.575,1297 1.524,1298 0.574,1299 1.539,1300 1.14,1301 1.067,1302 1.455,1303 1.369,1304 0.56,1305 1.402,1306 1.013,1307 0.949,1308 1.363,1309 1.223,1310 0.501,1311 1.277,1312 4.234,1314 5.549,1316 7.067,1318 8.678,1320 10.338,1322 5.197,1328 1.71,1330 16.645,1333 2.264,1340 36.202,1341 78.904,1342 181.278,1343 234.139,1344 266.192,1345 276.947,1346 280.947,1347 51.913,1348 7.915,1349 51.91,1350 51.91,1351 24,1352 12.626,1353 4.392,1354 3.585,1355 49.782,1356 148,1357 150,1358 0.163,1359 221.176,1360 393.34,1361 531.429,1362 32250,1364 21.794,1365 0.703,1366 0.578,1367 21.794,1368 17.923,1369 15.067,1370 0.443,1371 0.297,1372 9.927,1373 14.47,1374 9.566,1375 8.018,1376 15.067,1377 10.088,1378 13.302,1379 0.283,1380 0.16,1381 13.302,1382 7.533,1383 11.266,1384 0.182,1385 0.084,1386 11.266,1387 5.22,1388 9.533,1389 0.118,1390 0.045,1391 9.533,1392 3.661,1393 7.808,1394 0.074,1395 0.024,1396 7.808,1397 2.488,1398 0.263,1399 94.725,1400 0.21,1401 29.639,1402 0.428,1403 162,1404 482.587,1405 175.817,1406 458.836,1407 628.02,1408 432,1409 190,1410 456.761,1411 205.233,1412 468.236,1413 680.4,1414 435,1415 5.509}
{0 CHEMBL241828,1 1.376,2 13.621,3 4.777,4 22.822,5 116.665,6 7.413,7 0.563,8 4.039,9 4.138,10 3.613,11 3.635,12 5.15,13 3.608,14 4.551,15 4.704,16 3.943,17 4.001,18 5.609,19 3.964,20 4.762,21 4.919,22 4.016,23 4.143,24 5.816,25 4.076,26 4.9,27 5.127,28 3.929,29 4.111,30 5.895,31 4.013,32 4.795,33 5.008,34 3.851,35 4.07,36 5.835,37 3.961,38 4.769,39 5.005,40 3.702,41 4.012,42 5.73,43 3.88,44 4.65,45 4.881,46 3.54,47 3.871,48 5.604,49 3.739,50 4.436,51 4.67,52 3.453,53 3.711,54 5.317,55 3.589,56 0.013,57 0.649,58 10.208,59 4.973,60 6.934,61 6.214,62 0.158,63 1.088,64 19.18,65 7.921,66 18.178,67 9.965,68 0.138,69 1.3,70 23.85,71 10.412,72 26.355,73 13.115,74 0.369,75 1.498,76 30.582,77 11.856,78 46.593,79 15.75,80 0.393,81 1.353,82 26.705,83 10.881,84 46.035,85 14.569,86 0.184,87 1.302,88 26.514,89 11.111,90 39.319,91 14.998,92 0.315,93 1.138,94 24.052,95 9.619,96 42.906,97 12.67,98 0.084,99 0.95,100 18.566,101 7.897,102 18.345,103 10.832,104 11,105 44,106 0.228,107 0.522,108 0.684,109 0.796,110 0.83,111 0.836,112 3.407,113 0.896,114 -5.05,115 -4.95,116 -4.63,121 48.1,126 2,127 2,137 1,140 1,144 12,145 4,146 2,159 1,176 14,180 10,187 16,192 11,200 11,205 1,206 8,214 6,218 2,219 7,227 12,232 2,239 16,243 1,244 3,251 16,256 2,264 10,268 1,269 5,277 5,281 1373,282 19.834,283 19.834,284 19.834,285 19.834,286 19.834,287 17.399,288 22.849,289 11.774,290 20.188,291 15.77,292 15.77,293 15.77,294 15.77,295 15.77,296 12.027,297 30.323,298 5.581,299 16.251,300 4.325,301 2.545,302 1.563,303 0.89,304 0.683,305 0.644,306 4.107,311 1,312 1,313 860,314 3.162,318 368.356,322 140.567,325 2.212,326 21.238,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 61.5,338 395,339 4.476,340 3.603,341 6.538,342 4.1,343 3.12,344 4.097,345 0.995,346 10.324,347 3.06,348 4.155,349 3.064,350 6.084,351 3.766,352 2.781,353 3.76,354 0.86,355 8.846,356 2.739,357 3.936,358 2.994,359 5.568,360 3.611,361 2.641,362 3.456,363 0.86,364 7.635,365 2.568,366 3.792,367 2.855,368 5.326,369 3.401,370 2.419,371 3.204,372 0.359,373 6.935,374 2.372,375 3.593,376 2.669,377 5.249,378 3.236,379 2.271,380 2.897,382 6.582,383 2.188,384 3.332,385 2.486,386 5.057,387 2.938,388 1.969,389 2.547,391 5.782,392 1.877,393 3.177,394 2.149,395 4.675,396 2.887,397 1.938,398 2.29,400 5.101,401 1.831,402 2.907,403 1.66,404 4.399,405 2.43,406 1.451,407 2.025,409 4.156,410 1.417,411 2.752,412 1.483,413 3.699,414 2.334,415 1.356,416 1.815,418 2.989,419 1.32,420 2.5,421 1.312,422 3.568,423 2,424 1,425 1.5,427 2.482,428 1,429 2.5,430 1.122,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.482,439 1,440 3.247,441 1.979,442 0.976,443 1.399,445 2.136,446 0.971,447 1.75,448 1,449 2.995,450 1.426,451 0.551,452 0.624,454 0.937,455 0.476,456 1.322,457 0.58,458 2.869,459 1.056,460 0.09,461 0.104,463 0.226,464 0.086,465 1.259,466 0.369,467 2.647,468 0.815,469 -0.137,470 -0.172,472 -0.301,473 -0.128,474 13.9,475 0.479,476 0.639,477 0.022,478 40,479 1.379,480 22,481 0.759,482 18,483 0.621,484 20.934,485 0.722,486 29.9,487 0.575,488 30.377,489 1.047,490 8.341,491 0.288,492 5.778,493 0.199,494 0.096,496 0.317,501 0.755,502 1.163,503 0.768,504 1.042,505 0.616,506 0.928,507 1.169,508 0.883,509 0.898,510 0.848,511 0.702,512 0.823,513 1.105,514 1.244,515 1.062,516 1.199,517 0.942,518 1.14,519 0.997,520 0.978,521 0.941,522 0.939,523 0.899,524 0.929,525 0.7,526 1.006,527 0.982,528 1.021,529 0.856,530 1.032,531 0.75,532 0.992,533 0.958,534 1.029,535 1.088,536 1.024,537 1.092,538 0.881,539 1.082,540 0.92,541 1.459,542 0.993,543 0.538,544 1.076,545 0.871,546 1.067,547 0.469,548 1.021,549 6,550 0.132,551 2.667,552 1.625,553 1.831,554 1,555 0.502,556 0.311,557 0.221,558 0.198,559 12294,560 30295,561 2.111,562 44.2,564 23,572 1.713,573 2,574 3.694,575 -0.853,582 71.53,583 1.376,584 3.155,585 4.137,586 4.811,587 5.018,588 5.056,589 3.267,590 4.418,591 4.826,592 3.871,593 1571.52,594 8.371,595 22134.2,597 1,600 296.423,601 1.314,602 4.8,603 0.188,604 0.006,605 0.061,606 0.036,607 0.046,608 0.027,609 0.016,610 0.012,611 0.009,612 0.009,613 0.408,614 0.33,615 1,616 0.674,617 150.333,618 0.008,619 -0.119,620 0.065,621 -0.056,622 -0.041,623 -0.001,624 -0.116,625 0.183,626 0.026,627 0.11,628 0.003,629 0.098,630 -0.07,631 -0.251,632 -0.137,633 -0.22,634 -0.029,635 -0.195,636 0.055,637 0.017,638 0.066,639 0.03,640 0.084,641 0.048,642 0.194,643 -0.013,644 -0.013,645 -0.042,646 0.138,647 -0.051,648 -0.001,649 -0.037,650 0.016,651 -0.032,652 0.006,653 -0.01,654 -0.074,655 0.075,656 -0.08,657 0.069,658 -0.194,659 0.002,660 0.071,661 -0.101,662 0.083,663 -0.073,664 0.052,665 -0.006,666 1.744,667 5.505,668 0.759,669 33.139,670 0.996,671 1.109,672 3.816,673 14.563,674 0.687,675 3.497,676 3.807,677 4.06,678 4.317,679 4.575,680 4.615,681 4.745,682 4.868,683 4.963,684 5.017,685 7.709,686 0.653,687 385.49,688 3.497,689 5.03,690 5.872,691 6.742,692 7.599,693 8.474,694 9.339,695 10.217,696 11.087,697 11.968,698 1.9,701 1,715 12,720 6,722 18,727 1,739 2,741 52,743 20,744 3,745 32,747 55,748 25,749 18,750 6,751 12,752 3,756 4,757 5,772 21,773 4,777 2,782 1,784 1,786 2,793 23,794 4,796 4,802 1,808 0.75,809 3,829 4,833 1,849 2,855 1,859 3,864 2,868 29,876 2,878 2,881 1,893 5.8,896 1,898 2,901 14.5,902 10.033,903 6.417,904 2.949,907 3.563,908 1.46,909 0.994,910 5.68,911 11.314,912 3.784,913 4.363,914 4.922,915 5.468,916 6.02,917 6.182,918 6.542,919 6.899,920 7.258,921 7.559,922 1,923 45,924 10.708,926 4.496,927 0.026,929 7.649,931 20.59,933 16.705,936 2.149,937 62.333,939 1,940 1,941 270.735,942 180.288,943 3.124,945 47.145,948 180.288,949 317.88,950 3.124,951 19.279,952 4.211,953 123.191,954 35.522,955 48.353,957 270.735,959 270.735,960 183.412,961 47.145,964 270.735,965 47.145,968 7.336,969 161.357,970 14.72,972 270.735,973 50.269,974 180.288,977 270.735,978 37.817,979 145.595,981 47.145,982 270.735,983 50.269,984 180.288,986 0.576,987 0.334,988 0.181,989 0.102,990 21,991 9,992 0.109,993 6,994 1,995 1.091,996 4.186,997 248.451,998 0.091,999 22,1000 132.881,1005 19.285,1006 8.541,1007 4.519,1009 50.269,1010 23.848,1015 5.101,1018 501.292,1019 43,1024 12.505,1026 1.54,1028 0.49,1031 51.803,1032 57.694,1034 0.241,1035 0.554,1036 0.726,1037 0.844,1038 0.88,1039 0.887,1040 5.007,1041 1.451,1042 5.844,1043 5.101,1044 4.489,1045 5.05,1046 1.793,1047 6.621,1048 4.436,1049 6.204,1050 1.356,1051 7.378,1052 4.156,1053 4.007,1054 4.718,1055 0.325,1056 7.424,1057 3.931,1058 7.497,1059 1,1060 9.008,1061 2.989,1062 6.052,1063 7.19,1064 1.535,1065 10.506,1066 5.955,1067 8.821,1068 1,1069 10.694,1070 2.482,1071 6.365,1072 7.64,1073 0.504,1074 12.123,1075 6.247,1076 10.174,1077 0.976,1078 12.415,1079 2.275,1080 7.871,1081 9.584,1082 1.342,1083 14.716,1084 7.738,1085 11.549,1086 0.551,1087 14.162,1088 2.136,1089 8.571,1090 10.428,1091 0.585,1092 16.703,1093 8.418,1094 12.94,1095 0.09,1096 15.928,1097 0.937,1098 9.845,1099 12.118,1100 1.189,1101 19.118,1102 9.678,1103 3.12,1104 -0.137,1105 17.709,1106 0.226,1107 10.746,1108 13.186,1109 0.622,1110 21.281,1111 10.559,1112 2.781,1113 10.324,1114 19.503,1115 -0.301,1116 11.918,1117 14.739,1118 1.066,1119 23.631,1120 11.716,1121 2.641,1122 8.846,1123 21.306,1124 4.097,1125 12.924,1126 15.938,1127 0.639,1128 25.878,1129 12.702,1130 2.419,1131 7.635,1132 23.119,1133 3.76,1134 14.054,1135 17.416,1136 0.969,1137 28.206,1138 13.817,1139 2.271,1140 6.935,1141 24.939,1142 3.456,1143 15.114,1144 18.695,1145 0.646,1146 30.492,1147 14.858,1148 1.969,1149 6.582,1150 26.766,1151 3.204,1152 16.231,1153 20.133,1154 0.891,1155 32.815,1156 15.958,1157 1.938,1158 5.782,1159 28.599,1160 2.897,1161 17.32,1162 21.458,1163 0.648,1164 35.122,1165 17.028,1166 11589,1167 18375,1168 21.671,1169 35.745,1170 47.765,1171 48.818,1172 48.376,1173 47.115,1174 47.127,1175 62.439,1176 6.147,1177 132.81,1178 45.813,1179 5.35,1180 5.603,1181 6.34,1182 5.197,1183 5.12,1184 7.097,1185 1.855,1186 17.219,1187 5.06,1188 12.404,1189 1.493,1190 1.526,1191 1.512,1192 1.472,1193 1.473,1194 1.951,1195 0.192,1196 4.15,1197 1.432,1198 4.038,1199 4.054,1200 3.998,1201 3.96,1202 7.428,1203 3.965,1204 3.924,1205 3.953,1206 3.857,1207 3.852,1208 4.939,1209 3.849,1210 3.865,1211 3.89,1212 3.802,1213 3.81,1214 4.766,1215 3.806,1216 3.552,1217 3.609,1218 3.465,1219 3.398,1220 4.737,1221 3.408,1222 3.428,1223 3.465,1224 3.319,1225 3.241,1226 4.552,1227 3.25,1228 3.195,1229 3.264,1230 3.018,1231 2.943,1232 4.201,1233 2.947,1234 3.035,1235 3.073,1236 2.953,1237 2.902,1238 4.094,1239 2.903,1240 2.959,1241 3.045,1242 2.768,1243 2.792,1244 3.677,1245 2.775,1246 0.14,1247 0.113,1248 0.204,1249 0.128,1250 0.098,1251 4.476,1252 0.128,1253 3.603,1254 0.031,1255 6.538,1256 0.323,1257 4.1,1258 0.096,1259 3.12,1260 4.097,1261 0.995,1262 10.324,1263 3.06,1264 1.98,1265 1.966,1266 2.076,1267 2.076,1268 1.238,1269 2.073,1270 1.916,1271 1.888,1272 2.033,1273 2.017,1274 1.146,1275 2.022,1276 1.866,1277 1.845,1278 1.966,1279 1.947,1280 1.083,1281 1.957,1282 1.512,1283 1.463,1284 1.734,1285 1.719,1286 0.867,1287 1.729,1288 1.377,1289 1.329,1290 1.591,1291 1.594,1292 0.638,1293 1.588,1294 1.165,1295 1.089,1296 1.499,1297 1.43,1298 0.566,1299 1.457,1300 1.024,1301 0.977,1302 1.365,1303 1.223,1304 0.501,1305 1.278,1306 0.982,1307 0.902,1308 1.279,1309 1.196,1310 0.424,1311 1.221,1312 4.174,1314 5.485,1316 6.995,1318 8.594,1320 10.242,1322 3.688,1328 1.738,1330 11.152,1333 2.272,1340 33.961,1341 71.53,1342 164.078,1343 215.139,1344 250.158,1345 260.913,1346 262.913,1347 44.652,1348 7.751,1349 42.68,1350 42.68,1351 24,1352 12.505,1353 4.392,1354 3.585,1355 45.09,1356 135,1357 130,1358 0.162,1359 207.587,1360 367.25,1361 498.272,1362 26763,1364 20.217,1365 0.697,1366 0.572,1367 20.217,1368 16.592,1369 14.119,1370 0.441,1371 0.299,1372 9.439,1373 13.669,1374 9.123,1375 7.631,1376 14.119,1377 9.559,1378 12.581,1379 0.286,1380 0.163,1381 12.581,1382 7.192,1383 10.499,1384 0.184,1385 0.086,1386 10.499,1387 4.921,1388 8.794,1389 0.119,1390 0.047,1391 8.794,1392 3.442,1393 7.304,1394 0.076,1395 0.024,1396 7.304,1397 2.347,1398 0.263,1399 87.917,1400 0.215,1401 28.146,1402 0.424,1403 152,1404 426.852,1405 162.938,1406 412.551,1407 567.01,1408 388,1409 177,1410 415.215,1411 188.8,1412 426.583,1413 618.69,1414 398,1415 4.742}
{0 CHEMBL241830,1 1.376,2 13.103,3 4.777,4 22.822,5 116.665,6 7.413,7 0.563,8 4.039,9 4.138,10 3.613,11 3.635,12 5.15,13 3.608,14 4.551,15 4.704,16 3.943,17 4.001,18 5.609,19 3.964,20 4.762,21 4.919,22 4.016,23 4.143,24 5.814,25 4.076,26 4.901,27 5.127,28 3.937,29 4.11,30 5.916,31 4.01,32 4.792,33 5.01,34 3.813,35 4.06,36 5.769,37 3.951,38 4.768,39 5.001,40 3.732,41 4.004,42 5.75,43 3.88,44 4.626,45 4.849,46 3.628,47 3.898,48 5.589,49 3.778,50 4.511,51 4.723,52 3.51,53 3.774,54 5.481,55 3.66,56 0.013,57 0.649,58 10.208,59 4.973,60 6.934,61 6.214,62 0.158,63 1.088,64 19.18,65 7.921,66 18.178,67 9.965,68 0.138,69 1.3,70 23.85,71 10.412,72 25.743,73 13.115,74 0.46,75 1.498,76 30.642,77 11.861,78 51.334,79 15.844,80 0.212,81 1.352,82 26.641,83 10.867,84 35.835,85 14.397,86 0.312,87 1.29,88 26.748,89 10.972,90 45.882,91 14.736,92 0.225,93 1.124,94 22.76,95 9.507,96 31.453,97 12.697,98 0.16,99 1.006,100 20.013,101 8.265,102 30.379,103 10.854,104 11,105 44,106 0.228,107 0.522,108 0.682,109 0.793,110 0.83,111 0.836,112 3.408,113 0.896,114 -5.05,115 -4.95,116 -4.63,121 48.1,126 2,127 2,137 1,140 1,144 12,145 4,146 2,159 1,176 14,180 10,187 17,192 9,200 10,205 2,206 11,214 7,219 5,227 10,231 1,232 4,239 15,243 1,244 4,251 16,256 2,264 11,268 1,269 4,277 6,281 1371,282 19.834,283 19.834,284 19.834,285 19.834,286 19.834,287 17.399,288 22.849,289 11.771,290 20.188,291 15.77,292 15.77,293 15.77,294 15.77,295 15.77,296 12.027,297 31.486,298 5.577,299 16.248,300 4.325,301 2.545,302 1.578,303 0.904,304 0.683,305 0.644,306 4.107,311 1,312 1,313 828,314 3.162,318 367.938,322 140.567,325 2.107,326 21.242,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 61.5,338 380,339 4.473,340 3.601,341 6.533,342 4.097,343 3.118,344 4.093,345 0.995,346 10.305,347 3.056,348 4.152,349 3.067,350 6.08,351 3.762,352 2.777,353 3.758,354 0.86,355 8.823,356 2.737,357 3.936,358 3.008,359 5.567,360 3.609,361 2.639,362 3.456,363 0.86,364 7.633,365 2.567,366 3.801,367 2.862,368 5.366,369 3.403,370 2.422,371 3.219,372 0.359,373 6.944,374 2.373,375 3.648,376 2.656,377 5.322,378 3.3,379 2.327,380 2.959,382 6.863,383 2.253,384 3.207,385 2.449,386 4.916,387 2.895,388 1.949,389 2.374,391 5.407,392 1.836,393 3.179,394 2.15,395 4.678,396 2.806,397 1.847,398 2.296,400 5.109,401 1.747,402 2.938,403 1.708,404 4.417,405 2.466,406 1.488,407 2.076,409 4.239,410 1.448,411 2.763,412 1.491,413 3.733,414 2.358,415 1.372,416 1.836,418 2.992,419 1.348,420 2.55,421 1.35,422 3.568,423 2.033,424 1.039,425 1.5,427 2.618,428 1.024,429 2.5,430 1.066,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.5,439 1,440 3.247,441 2,442 1,443 1.489,445 2.136,446 1,447 1.647,448 1,449 2.94,450 1.35,451 0.477,452 0.534,454 0.742,455 0.411,456 1.33,457 0.54,458 2.871,459 1.061,460 0.093,461 0.108,463 0.244,464 0.089,465 1.306,466 0.369,467 2.743,468 0.817,469 -0.157,470 -0.202,472 -0.404,473 -0.151,474 13.9,475 0.479,476 0.639,477 0.022,478 40,479 1.379,480 22,481 0.759,482 18,483 0.621,484 20.989,485 0.724,486 29.9,487 0.575,488 30.425,489 1.049,490 8.341,491 0.288,492 5.778,493 0.199,494 0.096,496 0.317,501 0.755,502 1.163,503 0.768,504 1.042,505 0.616,506 0.928,507 1.169,508 0.883,509 0.898,510 0.848,511 0.702,512 0.823,513 1.105,514 1.244,515 1.062,516 1.199,517 0.948,518 1.14,519 0.883,520 0.978,521 0.927,522 0.942,523 0.842,524 0.936,525 0.953,526 1.022,527 1.026,528 1.031,529 1.038,530 1.033,531 0.77,532 0.921,533 0.932,534 0.955,535 0.922,536 0.966,537 0.806,538 0.954,539 0.964,540 0.987,541 0.971,542 1,543 1.009,544 1.1,545 1.082,546 1.1,547 1.18,548 1.102,549 6,550 0.107,551 2.667,552 1.75,553 1.671,554 1.056,555 0.585,556 0.311,557 0.184,558 0.234,559 12158,560 29927,561 2.111,562 44.2,564 23,572 1.714,573 2,574 3.655,575 -0.853,582 71.53,583 1.376,584 3.155,585 4.123,586 4.796,587 5.018,588 5.056,589 3.108,590 4.28,591 4.827,592 3.834,593 1556.78,594 8.379,595 21901.4,597 1,600 296.423,601 1.314,602 4.8,603 0.188,604 0.005,605 0.061,606 0.039,607 0.042,608 0.029,609 0.018,610 0.01,611 0.007,612 0.011,613 0.41,614 0.33,615 1,616 0.674,617 150.027,618 0.008,619 -0.119,620 0.065,621 -0.056,622 -0.041,623 -0.001,624 -0.116,625 0.183,626 0.026,627 0.11,628 0.003,629 0.098,630 -0.07,631 -0.251,632 -0.137,633 -0.22,634 -0.035,635 -0.195,636 0.17,637 0.017,638 0.079,639 0.027,640 0.142,641 0.04,642 -0.062,643 -0.03,644 -0.055,645 -0.053,646 -0.047,647 -0.051,648 0.096,649 0.034,650 0.056,651 0.039,652 0.095,653 0.042,654 0.031,655 0.008,656 0.007,657 0.007,658 -0.012,659 0.001,660 -0.075,661 -0.125,662 -0.111,663 -0.117,664 -0.135,665 -0.12,666 1.726,667 5.451,668 0.759,669 32.235,670 0.996,671 1.109,672 3.816,673 14.563,674 0.687,675 3.497,676 3.807,677 4.06,678 4.317,679 4.564,680 4.635,681 4.754,682 4.852,683 4.956,684 5.03,685 7.589,686 0.653,687 385.49,688 3.497,689 5.03,690 5.872,691 6.742,692 7.598,693 8.474,694 9.338,695 10.217,696 11.085,697 11.968,698 1.9,701 1,715 12,720 6,722 18,727 1,739 2,741 52,743 20,744 3,745 32,747 55,748 25,749 18,750 6,751 12,752 3,756 4,757 5,772 21,773 4,777 2,782 1,784 1,786 2,793 23,794 4,796 4,802 1,808 0.75,809 3,829 4,833 1,849 2,855 1,859 3,864 2,868 29,876 2,878 2,881 1,893 5.8,896 1,898 2,901 14.5,902 10.033,903 6.417,904 2.949,907 3.558,908 1.459,909 0.994,910 5.68,911 11.309,912 3.784,913 4.363,914 4.922,915 5.468,916 6.009,917 6.205,918 6.544,919 6.888,920 7.249,921 7.568,922 0.889,923 45,924 10.707,926 4.495,927 0.026,929 7.649,931 20.59,933 16.705,936 2.149,937 62.333,939 1,940 1,941 270.735,942 180.288,943 3.124,945 47.145,948 180.288,949 317.88,950 3.124,951 19.279,952 4.211,953 123.191,954 35.522,955 48.353,957 270.735,959 270.735,960 183.412,961 47.145,964 270.735,965 47.145,968 7.336,969 161.357,970 14.72,972 270.735,973 50.269,974 180.288,977 270.735,978 37.817,979 145.595,981 47.145,982 270.735,983 50.269,984 180.288,986 0.576,987 0.334,988 0.181,989 0.1,990 21,991 9,992 0.109,993 6,994 1,995 1.091,996 4.176,997 248.962,998 0.091,999 22,1000 132.881,1005 19.285,1006 8.541,1007 4.519,1009 50.269,1010 23.805,1015 5.111,1018 501.292,1019 43,1024 12.451,1026 1.547,1028 0.496,1031 51.803,1032 57.694,1034 0.241,1035 0.554,1036 0.723,1037 0.841,1038 0.88,1039 0.887,1040 5.007,1041 1.488,1042 5.844,1043 5.109,1044 4.489,1045 5.05,1046 1.793,1047 6.621,1048 4.436,1049 6.204,1050 1.372,1051 7.378,1052 4.239,1053 4.007,1054 4.718,1055 0.325,1056 7.424,1057 3.931,1058 7.497,1059 1.039,1060 9.008,1061 2.992,1062 6.052,1063 7.19,1064 1.535,1065 10.505,1066 5.955,1067 8.821,1068 1,1069 10.694,1070 2.618,1071 6.365,1072 7.64,1073 0.504,1074 12.121,1075 6.247,1076 10.174,1077 1,1078 12.415,1079 2.275,1080 7.871,1081 9.584,1082 1.342,1083 14.712,1084 7.737,1085 11.549,1086 0.477,1087 14.162,1088 2.136,1089 8.571,1090 10.428,1091 0.585,1092 16.696,1093 8.417,1094 12.94,1095 0.093,1096 15.928,1097 0.742,1098 9.845,1099 12.117,1100 1.189,1101 19.109,1102 9.676,1103 3.118,1104 -0.157,1105 17.709,1106 0.244,1107 10.745,1108 13.184,1109 0.622,1110 21.268,1111 10.556,1112 2.777,1113 10.305,1114 19.502,1115 -0.404,1116 11.916,1117 14.737,1118 1.066,1119 23.616,1120 11.711,1121 2.639,1122 8.823,1123 21.305,1124 4.093,1125 12.92,1126 15.934,1127 0.639,1128 25.859,1129 12.695,1130 2.422,1131 7.633,1132 23.117,1133 3.758,1134 14.05,1135 17.412,1136 0.969,1137 28.185,1138 13.808,1139 2.327,1140 6.944,1141 24.936,1142 3.456,1143 15.109,1144 18.688,1145 0.646,1146 30.468,1147 14.846,1148 1.949,1149 6.863,1150 26.762,1151 3.219,1152 16.225,1153 20.125,1154 0.891,1155 32.789,1156 15.945,1157 1.847,1158 5.407,1159 28.594,1160 2.959,1161 17.312,1162 21.449,1163 0.648,1164 35.093,1165 17.012,1166 11461,1167 18163,1168 21.671,1169 35.745,1170 47.647,1171 48.762,1172 48.303,1173 47.067,1174 47.097,1175 62.392,1176 6.147,1177 132.658,1178 45.78,1179 5.348,1180 5.601,1181 6.335,1182 5.195,1183 5.118,1184 7.093,1185 1.855,1186 17.228,1187 5.056,1188 12.363,1189 1.489,1190 1.524,1191 1.509,1192 1.471,1193 1.472,1194 1.95,1195 0.192,1196 4.146,1197 1.431,1198 4.038,1199 4.054,1200 3.997,1201 3.96,1202 7.428,1203 3.965,1204 3.924,1205 3.953,1206 3.857,1207 3.852,1208 4.943,1209 3.848,1210 3.865,1211 3.89,1212 3.802,1213 3.81,1214 4.765,1215 3.806,1216 3.552,1217 3.609,1218 3.467,1219 3.399,1220 4.734,1221 3.409,1222 3.433,1223 3.469,1224 3.324,1225 3.243,1226 4.535,1227 3.253,1228 3.186,1229 3.256,1230 3.019,1231 2.963,1232 4.207,1233 2.967,1234 3.012,1235 3.063,1236 2.897,1237 2.853,1238 4.127,1239 2.842,1240 2.957,1241 3.034,1242 2.79,1243 2.772,1244 3.72,1245 2.765,1246 0.14,1247 0.113,1248 0.204,1249 0.128,1250 0.097,1251 4.473,1252 0.128,1253 3.601,1254 0.031,1255 6.533,1256 0.322,1257 4.097,1258 0.096,1259 3.118,1260 4.093,1261 0.995,1262 10.305,1263 3.056,1264 1.98,1265 1.966,1266 2.076,1267 2.076,1268 1.238,1269 2.073,1270 1.916,1271 1.888,1272 2.033,1273 2.016,1274 1.146,1275 2.022,1276 1.866,1277 1.845,1278 1.966,1279 1.946,1280 1.082,1281 1.957,1282 1.512,1283 1.464,1284 1.735,1285 1.72,1286 0.867,1287 1.729,1288 1.379,1289 1.331,1290 1.595,1291 1.599,1292 0.639,1293 1.593,1294 1.163,1295 1.089,1296 1.491,1297 1.42,1298 0.567,1299 1.448,1300 1.014,1301 0.952,1302 1.364,1303 1.223,1304 0.501,1305 1.277,1306 0.966,1307 0.89,1308 1.271,1309 1.184,1310 0.417,1311 1.211,1312 4.174,1314 5.485,1316 6.995,1318 8.594,1320 10.241,1322 3.702,1328 1.734,1330 11.217,1333 2.271,1340 33.961,1341 71.53,1342 164.078,1343 214.384,1344 249.403,1345 260.913,1346 262.913,1347 44.607,1348 7.751,1349 42.68,1350 42.68,1351 24,1352 12.505,1353 4.392,1354 3.585,1355 45.036,1356 133,1357 130,1358 0.164,1359 207.587,1360 367.25,1361 498.272,1362 26763,1364 20.217,1365 0.697,1366 0.572,1367 20.217,1368 16.592,1369 14.119,1370 0.441,1371 0.299,1372 9.439,1373 13.669,1374 9.123,1375 7.631,1376 14.119,1377 9.559,1378 12.581,1379 0.286,1380 0.163,1381 12.581,1382 7.192,1383 10.492,1384 0.184,1385 0.086,1386 10.492,1387 4.923,1388 8.85,1389 0.12,1390 0.047,1391 8.85,1392 3.442,1393 7.169,1394 0.075,1395 0.024,1396 7.169,1397 2.325,1398 0.265,1399 87.917,1400 0.215,1401 28.077,1402 0.431,1403 152,1404 426.852,1405 162.938,1406 412.551,1407 567.01,1408 388,1409 177,1410 415.215,1411 188.8,1412 426.584,1413 618.71,1414 398,1415 4.094}
{0 CHEMBL241960,1 1.386,2 22.238,3 4.291,4 18.412,5 176.081,6 6.249,7 0.273,8 4.559,9 4.705,10 3.956,11 4.049,12 5.531,13 3.99,14 5.13,15 5.356,16 4.208,17 4.413,18 6.005,19 4.314,20 5.412,21 5.68,22 4.265,23 4.565,24 6.241,25 4.424,26 5.489,27 5.771,28 4.203,29 4.594,30 6.256,31 4.423,32 5.537,33 5.83,34 4.196,35 4.622,36 6.327,37 4.441,38 5.517,39 5.796,40 4.136,41 4.618,42 6.285,43 4.428,44 5.518,45 5.821,46 4.045,47 4.541,48 6.271,49 4.342,50 5.375,51 5.671,52 3.958,53 4.411,54 6.142,55 4.225,56 0.102,57 1.318,58 22.241,59 8.487,60 14.362,61 12.646,62 0.307,63 2.05,64 39.439,65 13.051,66 32.766,67 20.509,68 0.534,69 2.436,70 51.842,71 17.298,72 58.675,73 26.882,74 0.542,75 2.515,76 55.488,77 19.24,78 56.521,79 29.461,80 0.682,81 2.567,82 58.142,83 20.573,84 79.791,85 30.907,86 0.47,87 2.532,88 56.764,89 20.592,90 59.99,91 30.77,92 0.605,93 2.442,94 57.103,95 19.239,96 67.797,97 29.437,98 0.48,99 2.133,100 49.564,101 16.5,102 56.208,103 25.393,104 21,105 54,106 0.207,107 0.493,108 0.676,109 0.75,110 0.777,111 0.796,112 3.764,113 1.075,114 -3.67,115 -3.63,116 -3.46,121 37,122 2,123 8,127 8,137 2,140 2,144 4,145 2,147 4,158 2,176 10,180 13,185 3,187 6,191 1,192 11,196 1,197 3,200 3,206 3,209 2,211 1,214 8,218 2,219 4,222 2,224 2,227 16,232 2,237 2,239 12,243 1,244 7,247 1,249 3,251 12,256 5,261 3,264 6,269 8,274 4,277 1,281 4784,282 28.949,283 28.949,284 28.949,285 28.949,286 28.949,287 26.666,288 35.214,289 18.268,290 29.51,291 21.676,292 21.676,293 21.676,294 21.676,295 21.676,296 18.312,297 46.698,298 8.665,299 22.465,300 5.138,301 3.22,302 1.994,303 1.498,304 1.315,305 1.19,306 4.451,312 1,313 1946,314 5.196,318 570.156,325 4.132,326 31.973,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 89,338 934,339 4.381,340 3.581,341 6.25,342 3.974,343 2.988,344 3.846,345 0.916,346 9.366,347 2.947,348 3.934,349 2.987,350 5.741,351 3.62,352 2.659,353 3.456,354 0.916,355 7.636,356 2.565,357 3.934,358 2.987,359 5.567,360 3.62,361 2.659,362 3.456,363 0.6,364 7.636,365 2.565,366 3.773,367 2.889,368 5.567,369 3.392,370 2.422,371 3.014,372 0.4,373 7.583,374 2.34,375 3.38,376 2.439,377 5.018,378 3.182,379 2.232,380 2.443,381 0.172,382 6.007,383 2.112,384 3.38,385 2.424,386 5.018,387 3.182,388 2.232,389 2.443,390 0.172,391 6.007,392 2.112,393 3.266,394 2.423,395 4.559,396 2.822,397 1.833,398 2.385,400 4.72,401 1.806,402 2.887,403 1.953,404 3.929,405 2.801,406 1.817,407 1.994,409 3.724,410 1.784,411 2.869,412 1.782,413 3.829,414 2.661,415 1.672,416 1.992,418 3.598,419 1.646,420 2.828,421 1.661,422 3.677,423 2.406,424 1.458,425 1.843,427 3.098,428 1.38,429 2.761,430 1.528,431 3.594,432 2.372,433 1.433,434 1.765,436 3.047,437 1.344,438 2.569,439 1.518,440 3.575,441 2.313,442 1.361,443 1.5,445 2.924,446 1.289,447 2.5,448 1.313,449 3.402,450 2.208,451 1.229,452 1.5,454 2.579,455 1.2,456 2.5,457 1.229,458 3.247,459 1.984,460 1,461 1.495,463 2.136,464 0.983,465 2.293,466 1,467 3.247,468 1.984,469 1,470 1.272,472 2.136,473 0.983,474 20.067,475 0.478,476 0.588,477 0.014,478 44,479 1.048,480 18,481 0.429,482 26,483 0.619,484 47.144,485 1.122,486 48.333,487 0.525,488 33.354,489 0.794,490 8.339,491 0.199,492 12.245,493 0.292,494 0.083,496 0.189,501 0.869,502 1.558,503 0.997,504 1.302,505 0.723,506 1.184,507 1.057,508 1.246,509 1.088,510 1.123,511 0.624,512 1.097,513 0.926,514 1.059,515 0.994,516 1.023,517 0.739,518 1.011,519 0.817,520 1.055,521 0.989,522 1.066,523 0.765,524 1.048,525 0.815,526 0.854,527 0.948,528 0.947,529 0.847,530 0.961,531 0.976,532 1.073,533 1.061,534 1.122,535 1.177,536 1.112,537 1.047,538 0.888,539 1.021,540 0.959,541 1.15,542 0.986,543 1.141,544 0.978,545 1.021,546 0.987,547 1.278,548 0.994,549 6,550 0.165,551 2.667,552 1.875,553 1.627,554 0.694,555 0.567,556 0.385,557 0.205,558 0.202,559 40302,560 86244,561 2.023,562 54.3,563 8,564 22,566 4,567 2,569 14,572 1.802,573 1.938,574 4.378,575 0.078,582 127.491,583 1.386,584 3.303,585 4.529,586 5.026,587 5.208,588 5.333,589 3.821,590 3.975,591 5.361,592 4.638,593 3993.43,594 9.425,595 88054.5,600 600.168,601 1.125,602 5.345,603 0.136,604 0.004,605 0.049,606 0.034,607 0.033,608 0.014,609 0.012,610 0.009,611 0.005,612 0.005,613 0.303,614 0.33,615 0.75,616 0.661,617 255.196,618 -0.006,619 -0.23,620 0.041,621 -0.077,622 0.007,623 -0.026,624 -0.095,625 -0.064,626 -0.061,627 -0.063,628 0.05,629 -0.055,630 0.039,631 -0.016,632 0.004,633 -0.017,634 0.099,635 -0.009,636 0.061,637 -0.067,638 -0.012,639 -0.063,640 0.05,641 -0.047,642 0.095,643 0.101,644 0.025,645 0.042,646 0.093,647 0.029,648 -0.062,649 -0.11,650 -0.09,651 -0.1,652 -0.11,653 -0.1,654 -0.048,655 0.044,656 -0.043,657 -0.001,658 -0.099,659 -0.019,660 -0.082,661 -0.039,662 -0.035,663 -0.02,664 -0.116,665 -0.023,666 1.807,667 5.551,668 0.429,669 83.519,670 0.986,671 1.136,672 2.436,673 5.936,674 0.627,675 3.807,676 4.007,677 4.174,678 4.317,679 4.466,680 4.344,681 4.317,682 4.317,683 4.263,684 4.234,685 12.989,686 0.578,687 574.9,688 3.807,689 5.283,690 6.071,691 6.88,692 7.684,693 8.5,694 9.31,695 10.13,696 10.946,697 11.768,698 6.5,700 1,701 2,707 1,708 2,715 8,716 2,720 2,722 12,741 92,743 16,745 44,747 94,748 34,749 10,752 6,756 3,757 3,763 2,770 8,772 16,773 18,777 4,782 1,784 2,785 1,786 4,793 50,794 8,795 2,796 8,802 6,808 1,809 2,822 2,829 3,839 1,841 1,849 4,853 1,855 2,857 1,859 3,864 2,868 42,875 1,876 16,877 1,881 2,893 2.2,895 1,896 1,901 21.667,902 16.45,903 9.889,904 6.282,907 2.588,908 1.338,909 0.925,910 15.939,911 10.255,912 4.007,913 4.419,914 4.84,915 5.232,916 5.645,917 5.496,918 5.556,919 5.641,920 5.593,921 5.518,922 0.933,923 55,924 15.615,926 6.24,927 0.026,929 7.56,931 30.762,933 24.299,936 2.06,937 86.5,941 565.013,942 164.838,943 74.616,945 67.828,948 164.838,949 632.841,950 74.616,951 17.65,952 37.122,953 74.868,954 159.131,955 65.595,957 517.928,959 565.013,960 239.454,961 67.828,964 400.217,965 232.624,968 132.007,969 52.166,970 55.28,972 565.013,973 142.444,974 164.838,977 565.013,978 54.14,979 116.946,980 18.011,981 118.185,982 565.013,983 142.444,984 164.838,986 0.546,987 0.31,988 0.162,989 0.089,990 17,991 8,992 0.223,993 21,995 1,996 5.605,997 349.921,999 18,1000 218.477,1005 33.489,1006 19.99,1007 13.236,1009 142.444,1010 15.696,1011 8.183,1015 2.599,1017 60.694,1018 872.295,1019 54,1024 12.551,1026 2.986,1027 4.466,1028 0.802,1031 90.705,1032 104.543,1034 0.212,1035 0.506,1036 0.694,1037 0.77,1038 0.798,1039 0.818,1040 5.193,1041 1.817,1042 5.974,1043 4.72,1044 4.691,1045 5.106,1046 1.619,1047 6.635,1048 4.625,1049 6.307,1050 1.672,1051 7.434,1052 3.724,1053 3.892,1054 4.477,1055 0.57,1056 7.222,1057 3.797,1058 7.542,1059 1.458,1060 8.995,1061 3.598,1062 6.133,1063 7.052,1064 1.171,1065 10.291,1066 6.007,1067 8.811,1068 1.433,1069 10.62,1070 3.098,1071 6.217,1072 7.289,1073 0.674,1074 11.756,1075 6.069,1076 10.116,1077 1.361,1078 12.288,1079 3.047,1080 7.828,1081 9.292,1082 0.92,1083 14.289,1084 7.651,1085 11.447,1086 1.229,1087 13.985,1088 2.924,1089 8.363,1090 9.967,1091 0.66,1092 16.13,1093 8.174,1094 12.798,1095 1,1096 15.704,1097 2.579,1098 9.68,1099 11.691,1100 0.757,1101 18.466,1102 9.465,1103 2.988,1104 1,1105 17.438,1106 2.136,1107 10.461,1108 12.612,1109 0.611,1110 20.488,1111 10.238,1112 2.659,1113 9.366,1114 19.184,1115 2.136,1116 11.637,1117 14.179,1118 0.64,1119 22.748,1120 11.392,1121 2.659,1122 7.636,1123 20.94,1124 3.846,1125 12.551,1126 15.249,1127 0.55,1128 24.862,1129 12.3,1130 2.422,1131 7.636,1132 22.703,1133 3.456,1134 13.662,1135 16.723,1136 0.548,1137 27.096,1138 13.393,1139 2.232,1140 7.583,1141 24.473,1142 3.456,1143 14.648,1144 17.885,1145 0.487,1146 29.26,1147 14.373,1148 2.232,1149 6.007,1150 26.249,1151 3.014,1152 15.731,1153 19.303,1154 0.471,1155 31.486,1156 15.443,1157 1.833,1158 6.007,1159 28.03,1160 2.443,1161 16.758,1162 20.525,1163 0.427,1164 33.679,1165 16.462,1166 39032,1167 57306,1168 29.583,1169 57.694,1170 61.92,1171 62.332,1172 63.272,1173 61.3,1174 61.259,1175 74.495,1176 6.355,1177 154.813,1178 59.204,1179 5.346,1180 5.581,1181 6.114,1182 5.009,1183 4.988,1184 6.846,1185 1.605,1186 16.052,1187 4.947,1188 18.879,1189 1.407,1190 1.417,1191 1.438,1192 1.393,1193 1.392,1194 1.693,1195 0.144,1196 3.518,1197 1.346,1198 3.969,1199 4.017,1200 3.901,1201 3.844,1202 7.428,1203 3.85,1204 3.894,1205 3.942,1206 3.837,1207 3.782,1208 6.469,1209 3.789,1210 3.892,1211 3.928,1212 3.82,1213 3.779,1214 4.911,1215 3.785,1216 3.751,1217 3.817,1218 3.604,1219 3.617,1220 4.889,1221 3.603,1222 3.734,1223 3.792,1224 3.597,1225 3.606,1226 4.618,1227 3.594,1228 3.601,1229 3.681,1230 3.459,1231 3.411,1232 4.353,1233 3.41,1234 3.567,1235 3.643,1236 3.409,1237 3.388,1238 4.297,1239 3.382,1240 3.4,1241 3.486,1242 3.232,1243 3.217,1244 4.266,1245 3.205,1246 0.1,1247 0.081,1248 0.142,1249 0.09,1250 0.068,1251 4.381,1252 0.087,1253 3.581,1254 0.021,1255 6.25,1256 0.213,1257 3.974,1258 0.067,1259 2.988,1260 3.846,1261 0.916,1262 9.366,1263 2.947,1264 1.875,1265 1.834,1266 2.046,1267 2.027,1268 1.381,1269 2.034,1270 1.872,1271 1.829,1272 2.041,1273 2.021,1274 1.378,1275 2.028,1276 1.852,1277 1.823,1278 1.984,1279 1.999,1280 1.198,1281 1.992,1282 1.762,1283 1.7,1284 1.972,1285 1.923,1286 1.191,1287 1.946,1288 1.732,1289 1.677,1290 1.898,1291 1.89,1292 1.049,1293 1.902,1294 1.584,1295 1.506,1296 1.841,1297 1.802,1298 1.022,1299 1.819,1300 1.561,1301 1.485,1302 1.822,1303 1.769,1304 0.957,1305 1.791,1306 1.407,1307 1.324,1308 1.719,1309 1.63,1310 0.935,1311 1.663,1312 4.489,1314 5.72,1316 7.133,1318 8.634,1320 10.183,1322 4.403,1327 10.441,1328 16.232,1329 3.229,1333 4.912,1340 53.148,1341 127.491,1342 303.918,1343 416.684,1344 462.393,1345 479.148,1346 490.658,1347 111.798,1348 7.667,1349 93.95,1350 93.95,1351 18,1352 12.349,1353 4.087,1354 3.459,1355 95.579,1356 331,1357 286,1358 0.132,1359 334.214,1360 595.06,1361 807.243,1362 31578,1364 29.832,1365 0.71,1366 0.611,1367 29.832,1368 25.679,1369 20.584,1370 0.468,1371 0.358,1372 15.6,1373 19.931,1374 15.206,1375 12.748,1376 20.584,1377 15.765,1378 16.664,1379 0.309,1380 0.202,1381 16.664,1382 10.922,1383 13.271,1384 0.207,1385 0.12,1386 13.271,1387 7.664,1388 10.115,1389 0.137,1390 0.068,1391 10.115,1392 5.051,1393 7.996,1394 0.093,1395 0.04,1396 7.996,1397 3.428,1398 0.226,1399 127.792,1400 0.184,1401 39.745,1402 0.319,1403 196,1404 494.444,1405 210.587,1406 483.185,1407 651.67,1408 454,1409 216,1410 460.92,1411 231.421,1412 470.422,1413 673.34,1414 442,1415 6.717}
{0 CHEMBL241974,1 1.386,2 22.238,3 4.291,4 18.412,5 176.081,6 6.249,7 0.273,8 4.559,9 4.705,10 3.956,11 4.049,12 5.531,13 3.99,14 5.13,15 5.356,16 4.208,17 4.413,18 6.003,19 4.314,20 5.412,21 5.68,22 4.27,23 4.56,24 6.246,25 4.42,26 5.492,27 5.78,28 4.203,29 4.584,30 6.266,31 4.415,32 5.513,33 5.799,34 4.198,35 4.611,36 6.31,37 4.433,38 5.529,39 5.817,40 4.136,41 4.602,42 6.305,43 4.418,44 5.489,45 5.786,46 4.038,47 4.534,48 6.25,49 4.34,50 5.372,51 5.662,52 3.959,53 4.427,54 6.133,55 4.236,56 0.102,57 1.318,58 22.241,59 8.487,60 14.362,61 12.646,62 0.307,63 2.05,64 39.439,65 13.051,66 32.099,67 20.509,68 0.524,69 2.438,70 51.857,71 17.204,72 58.73,73 26.829,74 0.638,75 2.514,76 55.942,77 18.904,78 60.553,79 29.053,80 0.581,81 2.533,82 56.668,83 20.206,84 75.001,85 30.449,86 0.547,87 2.546,88 57.833,89 19.737,90 66.264,91 30.139,92 0.599,93 2.399,94 55.567,95 18.847,96 65.376,97 28.699,98 0.435,99 2.135,100 49.166,101 17.11,102 53.338,103 25.917,104 21,105 54,106 0.207,107 0.493,108 0.689,109 0.776,110 0.803,111 0.822,112 3.764,113 1.075,114 -3.67,115 -3.63,116 -3.46,121 37,122 2,123 8,127 8,137 2,140 2,144 4,145 2,147 4,158 2,176 10,180 13,185 3,187 6,191 1,192 9,196 1,197 3,200 3,205 2,206 5,209 2,211 1,214 8,219 4,222 2,224 2,227 12,232 6,237 2,239 14,243 1,244 5,247 1,249 3,251 12,256 5,261 3,264 6,269 8,274 4,277 3,281 4784,282 28.949,283 28.949,284 28.949,285 28.949,286 28.949,287 26.666,288 35.214,289 18.268,290 29.493,291 21.676,292 21.676,293 21.676,294 21.676,295 21.676,296 18.312,297 46.698,298 8.665,299 22.455,300 5.138,301 3.22,302 1.907,303 1.324,304 1.142,305 1.016,306 4.451,312 1,313 1946,314 5.196,318 570.156,325 4.132,326 32.242,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 89,338 934,339 4.381,340 3.581,341 6.25,342 3.974,343 2.988,344 3.846,345 0.916,346 9.366,347 2.947,348 3.934,349 2.987,350 5.741,351 3.618,352 2.659,353 3.456,354 0.916,355 7.636,356 2.557,357 3.934,358 2.987,359 5.567,360 3.618,361 2.659,362 3.456,363 0.6,364 7.636,365 2.557,366 3.773,367 2.889,368 5.567,369 3.392,370 2.422,371 3.014,372 0.4,373 7.583,374 2.34,375 3.38,376 2.439,377 5.018,378 3.181,379 2.232,380 2.443,381 0.172,382 6.007,383 2.11,384 3.38,385 2.424,386 5.018,387 3.181,388 2.232,389 2.443,390 0.172,391 6.007,392 2.109,393 3.266,394 2.423,395 4.559,396 2.822,397 1.833,398 2.385,400 4.72,401 1.806,402 2.887,403 1.953,404 3.929,405 2.801,406 1.817,407 1.994,409 3.724,410 1.785,411 2.869,412 1.782,413 3.829,414 2.661,415 1.672,416 1.992,418 3.598,419 1.646,420 2.828,421 1.661,422 3.677,423 2.422,424 1.458,425 1.843,427 3.098,428 1.402,429 2.761,430 1.528,431 3.594,432 2.397,433 1.433,434 1.765,436 3.047,437 1.38,438 2.569,439 1.518,440 3.575,441 2.324,442 1.361,443 1.5,445 2.924,446 1.307,447 2.5,448 1.313,449 3.402,450 2.21,451 1.229,452 1.5,454 2.579,455 1.204,456 2.5,457 1.229,458 3.247,459 1.956,460 1,461 1.495,463 2.136,464 0.954,465 2.293,466 1,467 3.247,468 1.956,469 1,470 1.272,472 2.136,473 0.954,474 20.067,475 0.478,476 0.588,477 0.014,478 44,479 1.048,480 18,481 0.429,482 26,483 0.619,484 47.109,485 1.122,486 48.333,487 0.525,488 33.39,489 0.795,490 8.338,491 0.199,492 12.246,493 0.292,494 0.083,496 0.189,501 0.869,502 1.558,503 0.997,504 1.302,505 0.723,506 1.184,507 1.057,508 1.246,509 1.088,510 1.123,511 0.629,512 1.097,513 0.911,514 1.106,515 0.989,516 1.046,517 0.733,518 1.023,519 0.872,520 0.943,521 0.991,522 0.99,523 0.8,524 0.998,525 0.796,526 0.998,527 0.955,528 1.033,529 0.849,530 1.017,531 1.116,532 0.988,533 1.066,534 1.024,535 1.222,536 1.04,537 1.094,538 0.875,539 1.059,540 0.968,541 1.193,542 1.006,543 1.039,544 1.038,545 1.018,546 1.058,547 1.234,548 1.047,549 6,550 0.165,551 2.667,552 1.875,553 1.627,554 0.694,555 0.567,556 0.385,557 0.205,558 0.202,559 40302,560 85812,561 2.023,562 54.3,563 8,564 22,566 4,567 2,569 14,572 1.802,573 1.938,574 4.378,575 0.078,582 127.491,583 1.386,584 3.303,585 4.616,586 5.2,587 5.382,588 5.507,589 3.821,590 3.975,591 5.361,592 4.638,593 3993.43,594 9.425,595 88054.5,600 600.168,601 1.125,602 5.345,603 0.136,604 0.004,605 0.049,606 0.034,607 0.033,608 0.014,609 0.012,610 0.009,611 0.005,612 0.005,613 0.303,614 0.33,615 0.75,616 0.661,617 255.196,618 -0.006,619 -0.23,620 0.041,621 -0.077,622 0.007,623 -0.026,624 -0.095,625 -0.064,626 -0.061,627 -0.063,628 0.045,629 -0.055,630 0.054,631 -0.062,632 0.01,633 -0.041,634 0.107,635 -0.022,636 0.071,637 0.048,638 -0.005,639 -0.009,640 0.044,641 -0.013,642 0.087,643 -0.036,644 0.015,645 -0.025,646 0.096,647 -0.014,648 -0.103,649 -0.025,650 -0.082,651 -0.037,652 -0.12,653 -0.055,654 -0.074,655 0.074,656 -0.076,657 -0.002,658 -0.12,659 -0.034,660 -0.052,661 -0.1,662 -0.042,663 -0.066,664 -0.105,665 -0.057,666 1.808,667 5.55,668 0.429,669 83.519,670 0.986,671 1.136,672 2.436,673 5.936,674 0.627,675 3.807,676 4.007,677 4.174,678 4.317,679 4.466,680 4.344,681 4.317,682 4.317,683 4.263,684 4.234,685 12.989,686 0.578,687 574.9,688 3.807,689 5.283,690 6.071,691 6.88,692 7.684,693 8.5,694 9.31,695 10.13,696 10.946,697 11.768,698 6.5,700 1,701 2,707 1,708 2,715 8,716 2,720 2,722 12,741 92,743 16,745 44,747 94,748 34,749 10,752 6,756 3,757 3,763 2,770 8,772 16,773 18,777 4,782 1,784 2,785 1,786 4,793 50,794 8,795 2,796 8,802 6,808 1,809 2,822 2,829 3,839 1,841 1,849 4,853 1,855 2,857 1,859 3,864 2,868 42,875 1,876 16,877 1,881 2,893 2.2,895 1,896 1,901 21.667,902 16.45,903 9.889,904 6.282,907 2.588,908 1.338,909 0.925,910 15.939,911 10.255,912 4.007,913 4.419,914 4.84,915 5.232,916 5.645,917 5.496,918 5.556,919 5.641,920 5.593,921 5.518,922 0.933,923 55,924 15.618,926 6.243,927 0.026,929 7.56,931 30.762,933 24.299,936 2.06,937 86.5,941 565.013,942 164.838,943 74.616,945 67.828,948 164.838,949 632.841,950 74.616,951 17.65,952 37.122,953 74.868,954 159.131,955 65.595,957 517.928,959 565.013,960 239.454,961 67.828,964 400.217,965 232.624,968 132.007,969 52.166,970 55.28,972 565.013,973 142.444,974 164.838,977 565.013,978 54.14,979 116.946,980 18.011,981 118.185,982 565.013,983 142.444,984 164.838,986 0.546,987 0.31,988 0.162,989 0.089,990 17,991 8,992 0.223,993 21,995 1,996 5.605,997 349.921,999 18,1000 224.477,1005 33.489,1006 19.99,1007 13.236,1009 142.444,1010 15.717,1011 8.41,1015 2.501,1017 60.694,1018 872.295,1019 54,1024 12.55,1026 2.983,1027 4.465,1028 0.797,1031 90.705,1032 104.543,1034 0.212,1035 0.506,1036 0.708,1037 0.797,1038 0.825,1039 0.844,1040 5.193,1041 1.817,1042 5.974,1043 4.72,1044 4.691,1045 5.106,1046 1.619,1047 6.635,1048 4.625,1049 6.307,1050 1.672,1051 7.434,1052 3.724,1053 3.892,1054 4.477,1055 0.57,1056 7.222,1057 3.797,1058 7.542,1059 1.458,1060 8.995,1061 3.598,1062 6.133,1063 7.052,1064 1.171,1065 10.291,1066 6.005,1067 8.811,1068 1.433,1069 10.62,1070 3.098,1071 6.217,1072 7.289,1073 0.674,1074 11.756,1075 6.065,1076 10.116,1077 1.361,1078 12.288,1079 3.047,1080 7.828,1081 9.292,1082 0.92,1083 14.289,1084 7.647,1085 11.447,1086 1.229,1087 13.985,1088 2.924,1089 8.363,1090 9.967,1091 0.66,1092 16.13,1093 8.166,1094 12.798,1095 1,1096 15.704,1097 2.579,1098 9.68,1099 11.691,1100 0.757,1101 18.466,1102 9.458,1103 2.988,1104 1,1105 17.438,1106 2.136,1107 10.461,1108 12.612,1109 0.611,1110 20.488,1111 10.229,1112 2.659,1113 9.366,1114 19.184,1115 2.136,1116 11.637,1117 14.179,1118 0.64,1119 22.748,1120 11.384,1121 2.659,1122 7.636,1123 20.94,1124 3.846,1125 12.551,1126 15.249,1127 0.55,1128 24.862,1129 12.29,1130 2.422,1131 7.636,1132 22.703,1133 3.456,1134 13.662,1135 16.723,1136 0.548,1137 27.096,1138 13.384,1139 2.232,1140 7.583,1141 24.473,1142 3.456,1143 14.648,1144 17.885,1145 0.487,1146 29.26,1147 14.364,1148 2.232,1149 6.007,1150 26.249,1151 3.014,1152 15.731,1153 19.303,1154 0.471,1155 31.486,1156 15.434,1157 1.833,1158 6.007,1159 28.03,1160 2.443,1161 16.758,1162 20.525,1163 0.427,1164 33.679,1165 16.454,1166 39032,1167 57162,1168 29.583,1169 57.694,1170 61.92,1171 62.332,1172 63.272,1173 61.289,1174 61.259,1175 74.495,1176 6.355,1177 154.813,1178 59.212,1179 5.346,1180 5.581,1181 6.114,1182 5.011,1183 4.988,1184 6.846,1185 1.605,1186 16.052,1187 4.947,1188 18.879,1189 1.407,1190 1.417,1191 1.438,1192 1.393,1193 1.392,1194 1.693,1195 0.144,1196 3.518,1197 1.346,1198 3.968,1199 4.017,1200 3.9,1201 3.842,1202 7.428,1203 3.849,1204 3.893,1205 3.941,1206 3.836,1207 3.778,1208 6.469,1209 3.788,1210 3.891,1211 3.928,1212 3.819,1213 3.777,1214 4.909,1215 3.782,1216 3.751,1217 3.817,1218 3.605,1219 3.617,1220 4.887,1221 3.603,1222 3.735,1223 3.793,1224 3.597,1225 3.607,1226 4.618,1227 3.595,1228 3.603,1229 3.683,1230 3.46,1231 3.415,1232 4.352,1233 3.414,1234 3.569,1235 3.644,1236 3.411,1237 3.392,1238 4.291,1239 3.386,1240 3.401,1241 3.486,1242 3.233,1243 3.218,1244 4.26,1245 3.206,1246 0.1,1247 0.081,1248 0.142,1249 0.09,1250 0.068,1251 4.381,1252 0.087,1253 3.581,1254 0.021,1255 6.25,1256 0.213,1257 3.974,1258 0.067,1259 2.988,1260 3.846,1261 0.916,1262 9.366,1263 2.947,1264 1.873,1265 1.833,1266 2.045,1267 2.027,1268 1.381,1269 2.033,1270 1.869,1271 1.826,1272 2.04,1273 2.02,1274 1.377,1275 2.027,1276 1.852,1277 1.821,1278 1.983,1279 1.999,1280 1.194,1281 1.992,1282 1.762,1283 1.7,1284 1.971,1285 1.923,1286 1.188,1287 1.946,1288 1.733,1289 1.678,1290 1.898,1291 1.89,1292 1.045,1293 1.903,1294 1.587,1295 1.51,1296 1.844,1297 1.803,1298 1.018,1299 1.82,1300 1.564,1301 1.488,1302 1.824,1303 1.769,1304 0.955,1305 1.792,1306 1.407,1307 1.324,1308 1.719,1309 1.63,1310 0.935,1311 1.663,1312 4.489,1314 5.72,1316 7.133,1318 8.634,1320 10.183,1322 4.394,1327 10.44,1328 16.128,1329 3.227,1333 4.887,1340 53.148,1341 127.491,1342 303.918,1343 424.684,1344 478.393,1345 495.148,1346 506.658,1347 112.489,1348 7.667,1349 93.95,1350 93.95,1351 18,1352 12.349,1353 4.087,1354 3.459,1355 95.579,1356 331,1357 286,1358 0.132,1359 334.214,1360 595.06,1361 807.243,1362 31578,1364 29.832,1365 0.71,1366 0.611,1367 29.832,1368 25.679,1369 20.584,1370 0.468,1371 0.358,1372 15.6,1373 19.938,1374 15.205,1375 12.752,1376 20.584,1377 15.765,1378 16.664,1379 0.309,1380 0.202,1381 16.664,1382 10.934,1383 13.271,1384 0.207,1385 0.119,1386 13.271,1387 7.611,1388 10.115,1389 0.137,1390 0.068,1391 10.115,1392 5.057,1393 7.996,1394 0.093,1395 0.04,1396 7.996,1397 3.408,1398 0.226,1399 127.792,1400 0.184,1401 39.745,1402 0.319,1403 196,1404 494.444,1405 210.587,1406 483.448,1407 651.75,1408 454,1409 216,1410 460.92,1411 231.754,1412 471.01,1413 674.14,1414 442,1415 6.876}
{0 CHEMBL242067,1 1.573,2 7.222,3 3.531,4 12.468,5 62.506,6 9.47,7 0.632,8 3.371,9 3.44,10 3.114,11 3.025,12 4.771,13 3.036,14 3.811,15 3.899,16 3.466,17 3.339,18 5.312,19 3.356,20 4.084,21 4.225,22 3.536,23 3.363,24 5.74,25 3.388,26 3.983,27 4.129,28 3.399,29 3.137,30 5.613,31 3.199,32 3.813,33 3.915,34 3.332,35 2.958,36 5.791,37 3.055,38 3.603,39 3.703,40 3.114,41 2.896,42 5.539,43 2.921,44 3.528,45 3.71,46 2.819,47 2.805,48 4.93,49 2.768,50 3.439,51 3.663,52 2.557,53 2.477,54 4.895,55 2.46,56 0.12,57 0.432,58 2.428,59 2.355,60 27.098,61 2.205,62 0.218,63 0.686,64 4.32,65 3.735,66 46.085,67 3.498,68 0.541,69 0.886,70 9.528,71 5.067,72 114.41,73 4.776,74 0.501,75 0.735,76 9.751,77 4.477,78 107.752,79 4.009,80 0.669,81 0.607,82 7.936,83 3.464,84 147.807,85 2.359,86 0.477,87 0.504,88 5.195,89 2.885,90 102.895,91 2.352,92 0.241,93 0.517,94 5.866,95 3.057,96 46.833,97 3.331,98 0.334,99 0.567,100 6.858,101 2.898,102 65.069,103 2.907,104 17,105 26,106 0.307,107 0.481,108 0.601,109 0.721,110 0.721,111 0.721,112 2.96,113 0.818,114 -4.91,115 -4.82,116 -4.52,121 53.8,144 8,145 2,146 2,159 2,176 8,180 2,187 8,191 1,192 6,200 5,206 6,214 4,219 4,227 6,232 2,239 6,251 5,264 2,277 1,281 352,282 11.776,283 11.776,284 11.776,285 11.776,286 11.776,287 10.103,288 5.003,289 6.941,290 11.853,291 9.335,292 9.335,293 9.335,294 9.335,295 9.335,296 6.781,297 1.914,298 3.285,299 9.465,300 3.127,301 2.231,302 1.615,303 1,304 1,305 1,306 3.609,311 1,312 1,313 268,314 2.828,318 123.216,325 1.136,326 38.816,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 41,338 130,339 4.407,340 3.839,341 6.537,342 4.086,343 3.057,344 3.969,346 10.082,347 3.144,348 4.054,349 3.058,350 5.776,351 3.625,352 2.642,353 3.673,355 7.907,356 2.598,357 3.709,358 2.889,359 5.117,360 3.264,361 2.303,362 3.123,364 6.198,365 2.194,366 3.343,367 2.789,368 4.88,369 2.931,370 1.97,371 2.612,373 5.476,374 1.868,375 2.887,376 1.907,377 4.307,378 2.406,379 1.414,380 2.015,382 3.718,383 1.384,384 2.691,385 1.884,386 3.51,387 2.2,388 1.206,389 1.768,391 2.63,392 1.192,393 2.575,394 1.192,395 3.469,396 2.077,397 1.066,398 1.585,400 2.483,401 1.076,402 2.211,403 1.191,404 3.189,405 1.545,406 0.43,407 0.717,409 1.012,410 0.474,411 0.944,412 0.192,413 2.312,414 0.5,415 -0.404,416 -0.51,418 -0.896,419 -0.348,420 0.944,421 0.191,422 2,423 0.498,424 -0.408,425 -0.515,427 -0.904,428 -0.351,429 0.695,430 -0.126,431 2,432 0.226,433 -0.786,434 -1.096,436 -2.071,437 -0.789,438 0.686,439 -0.552,440 1.783,441 0.225,442 -0.795,443 -1.185,445 -2.072,446 -0.814,447 0.209,448 -0.915,449 1.53,450 -0.231,451 -1.303,452 -1.813,454 -3.349,455 -1.237,456 -0.042,457 -1.124,458 1.348,459 -0.421,460 -1.344,461 -1.815,463 -3.391,464 -1.237,465 -0.103,466 -1.143,467 1.215,468 -0.49,469 -1.414,470 -2,472 -3.564,473 -1.495,474 8.238,475 0.458,476 0.511,477 0.028,478 25.5,479 1.417,480 15,481 0.833,482 10.5,483 0.583,484 9.488,485 0.527,486 18.762,487 0.722,488 18.564,489 1.031,490 5.492,491 0.305,492 3.083,493 0.171,494 0.15,496 0.364,499 2,501 0.498,502 0.742,503 0.546,504 0.857,505 0.54,506 0.793,507 0.641,508 0.953,509 0.703,510 1.102,511 0.643,512 1.019,513 0.985,514 1.001,515 0.997,516 1.057,517 0.965,518 1.036,519 1.221,520 0.964,521 0.998,522 1.011,523 1.27,524 0.925,525 1.37,526 0.851,527 1.123,528 0.777,529 1.465,530 0.783,531 0.832,532 0.869,533 1.05,534 0.974,535 0.895,536 1.09,537 0.752,538 1.093,539 0.983,540 1.139,541 0.708,542 1.197,543 1.408,544 1.509,545 1.413,546 1.165,547 1.282,548 1.222,549 4,551 2.222,552 1.5,553 1.084,554 0.472,555 0.245,556 0.142,557 0.099,558 0.031,559 2543,560 10707,561 1.963,562 30.8,564 8,572 1.589,573 1.8,574 2.93,575 -0.763,579 1,582 40.908,583 1.573,584 2.47,585 3.085,586 3.7,587 3.7,588 3.7,589 2.281,590 2.948,591 4.145,592 3.018,593 461.681,594 7.042,595 4345.14,597 1,599 1,600 122.211,601 1.53,602 4.076,603 0.211,605 0.085,606 0.058,607 0.049,608 0.024,609 0.015,610 0.012,611 0.012,612 0.008,613 0.474,614 0.83,615 1,616 0.714,617 75.787,618 0.003,619 0.022,620 0.007,621 0.032,622 -0.038,623 0.026,624 -0.018,625 -0.143,626 -0.043,627 -0.203,628 -0.016,629 -0.17,630 -0.059,631 -0.056,632 -0.067,633 -0.105,634 -0.036,635 -0.088,636 -0.201,637 -0.121,638 0.024,639 -0.062,640 -0.195,641 0.046,642 -0.061,643 0.111,644 -0.136,645 0.164,646 -0.071,647 0.052,648 0.174,649 0.003,650 -0.182,651 -0.049,652 0.155,653 -0.232,654 -0.017,655 -0.24,656 0.02,657 -0.169,658 -0.001,659 -0.117,660 -0.209,661 -0.142,662 -0.171,663 -0.11,664 -0.204,665 -0.105,666 2.528,667 4.934,668 0.667,669 10.617,670 1.042,671 1.122,672 3.684,673 13.575,674 0.715,675 2.996,676 3.296,677 3.497,678 3.664,679 3.807,680 3.664,681 3.611,682 3.497,683 3.401,684 3.219,685 4.58,686 0.724,687 246.22,688 2.996,689 4.511,690 5.333,691 6.188,692 7.027,693 7.886,694 8.731,695 9.59,696 10.438,697 11.298,715 8,720 4,722 12,727 2,740 2,741 26,743 14,744 2,745 19,747 27,748 14,749 12,750 4,751 8,752 2,756 2,757 2,772 14,777 2,782 2,786 2,790 1,791 2,793 8,794 4,796 4,808 1,809 2,829 2,859 2,866 2,868 18,892 2,893 7.7,896 2,901 10,902 4.786,903 4,904 1.453,907 2.136,908 1.36,909 0.975,910 3.293,911 8.076,912 3.332,913 3.912,914 4.46,915 4.929,916 5.405,917 5.364,918 5.551,919 5.577,920 5.686,921 5.901,922 0.8,923 26,924 6.727,926 3.006,927 0.026,929 8.611,931 11.767,933 9.315,936 3.111,937 56,941 94.169,942 110.69,945 50.29,946 29.92,948 110.69,949 144.459,950 29.92,953 75.81,954 60.557,955 24.613,956 29.92,957 94.169,959 94.169,960 110.69,961 80.21,964 124.089,965 50.29,969 110.69,972 124.089,973 50.29,974 110.69,977 94.169,978 34.88,979 75.81,981 80.21,982 94.169,983 80.21,984 110.69,986 0.583,987 0.335,988 0.17,989 0.091,990 12,991 6,992 0.111,993 3,995 1,996 2.967,997 123.112,999 12,1000 57.059,1005 12.128,1006 4.888,1007 2.686,1009 80.21,1010 9.625,1015 -1.311,1018 285.069,1019 27,1024 23.54,1028 -1.722,1031 27.098,1032 29.174,1034 0.335,1035 0.525,1036 0.656,1037 0.787,1038 0.787,1039 0.787,1040 4.533,1041 0.43,1042 5.323,1043 2.483,1044 3.97,1045 4.595,1047 6.098,1048 3.955,1049 5.751,1050 -0.404,1051 6.872,1052 1.012,1053 3.611,1054 4.369,1056 6.94,1057 3.578,1058 7.052,1059 -0.408,1060 8.521,1061 -0.896,1062 5.533,1063 6.759,1065 10.022,1066 5.53,1067 8.386,1068 -0.786,1069 10.227,1070 -0.904,1071 5.943,1072 7.282,1074 11.661,1075 5.964,1076 9.749,1077 -0.795,1078 11.97,1079 -2.071,1080 7.378,1081 9.169,1083 14.283,1084 7.418,1085 11.131,1086 -1.303,1087 13.739,1088 -2.072,1089 8.145,1090 10.053,1092 16.27,1093 8.229,1094 12.53,1095 -1.344,1096 15.527,1097 -3.349,1098 9.38,1099 11.706,1101 18.716,1102 9.484,1103 3.057,1104 -1.414,1105 17.33,1106 -3.391,1107 10.319,1108 12.787,1110 20.865,1111 10.472,1112 2.642,1113 10.082,1114 19.146,1115 -3.564,1116 11.472,1117 14.316,1119 23.236,1120 11.649,1121 2.303,1122 7.907,1123 20.971,1124 3.969,1125 12.495,1126 15.509,1128 25.465,1129 12.718,1130 1.97,1131 6.198,1132 22.805,1133 3.673,1134 13.616,1135 16.968,1137 27.803,1138 13.867,1139 1.414,1140 5.476,1141 24.645,1142 3.123,1143 14.681,1144 18.229,1146 30.071,1147 14.974,1148 1.206,1149 3.718,1150 26.49,1151 2.612,1152 15.791,1153 19.648,1155 32.393,1156 16.115,1157 1.066,1158 2.63,1159 28.34,1160 2.015,1161 16.877,1162 20.95,1164 34.682,1165 17.239,1166 2613,1167 5438,1168 12.137,1169 18.591,1170 29.017,1171 30.913,1172 29.782,1173 28.437,1174 28.176,1175 38.924,1177 79.014,1178 27.863,1179 5.23,1180 5.839,1181 6.089,1182 5.086,1183 5.057,1184 6.969,1186 17.258,1187 5.144,1188 9.69,1189 1.527,1190 1.627,1191 1.567,1192 1.497,1193 1.483,1194 2.049,1196 4.159,1197 1.466,1198 3.985,1199 3.999,1200 3.948,1201 3.907,1202 8.203,1203 3.912,1204 3.863,1205 3.889,1206 3.813,1207 3.794,1208 8.2,1209 3.793,1210 3.404,1211 3.397,1212 3.381,1213 3.22,1214 7.496,1215 3.255,1216 2.915,1217 2.961,1218 2.873,1219 2.751,1220 7.352,1221 2.761,1222 2.895,1223 2.955,1224 2.802,1225 2.733,1226 4.62,1227 2.734,1228 2.869,1229 2.912,1230 2.751,1231 2.733,1232 4.586,1233 2.73,1234 2.553,1235 2.601,1236 2.427,1237 2.35,1238 3.635,1239 2.364,1240 2.254,1241 2.227,1242 2.187,1243 1.775,1244 3.575,1245 1.883,1246 0.232,1247 0.202,1248 0.344,1249 0.215,1250 0.161,1251 4.407,1252 0.209,1253 3.839,1255 6.537,1256 0.531,1257 4.086,1258 0.165,1259 3.057,1260 3.969,1262 10.082,1263 3.144,1264 1.936,1265 1.921,1266 2.019,1267 2.03,1268 1.096,1269 2.025,1270 1.852,1271 1.828,1272 1.957,1273 1.942,1274 1.029,1275 1.947,1276 1.286,1277 1.287,1278 1.365,1279 1.496,1280 0.356,1281 1.445,1282 0.87,1283 0.82,1284 1.127,1285 1.069,1286 0.183,1287 1.082,1288 0.859,1289 0.804,1290 1.097,1291 1.068,1292 0.132,1293 1.076,1294 0.838,1295 0.798,1296 1.037,1297 1.026,1298 0.097,1299 1.025,1300 0.5,1301 0.456,1302 0.78,1303 0.764,1305 0.775,1308 0.346,1309 0.467,1311 0.356,1312 3.664,1314 4.963,1316 6.46,1318 8.04,1320 9.66,1324 25.868,1340 18.83,1341 40.908,1342 64.211,1343 80.211,1344 96.211,1345 96.211,1346 96.211,1347 51.701,1348 5.94,1349 34.14,1350 34.14,1351 12,1352 11.851,1353 3.907,1354 3.17,1355 30.91,1356 49,1357 40,1358 0.319,1359 117.246,1360 212.84,1361 277.841,1362 2279,1363 7.7,1364 13.121,1365 0.729,1366 0.511,1367 11.38,1368 9.191,1369 8.575,1370 0.451,1371 0.273,1372 5.101,1373 8.212,1374 5.023,1375 4.147,1376 7.788,1377 5.179,1378 7.782,1379 0.299,1380 0.141,1381 6.514,1382 3.679,1383 6.27,1384 0.196,1385 0.074,1386 5.616,1387 2.38,1388 4.776,1389 0.126,1390 0.04,1391 4.179,1392 1.522,1393 3.622,1394 0.082,1395 0.021,1396 3.131,1397 0.939,1398 0.483,1399 54.339,1400 0.287,1401 17.927,1402 0.922,1403 90,1404 437.693,1405 101.869,1406 368.594,1407 465.5,1408 338,1409 103,1410 309.939,1411 113.582,1412 302.688,1413 438.5,1414 284,1415 4}
{0 CHEMBL242190,1 1.45,2 22.833,3 4.667,4 21.784,5 192.573,6 6.609,7 0.24,8 4.651,9 4.779,10 4.09,11 4.132,12 5.697,13 4.092,14 5.213,15 5.417,16 4.377,17 4.489,18 6.182,19 4.417,20 5.471,21 5.703,22 4.508,23 4.644,24 6.459,25 4.558,26 5.565,27 5.789,28 4.481,29 4.696,30 6.588,31 4.59,32 5.644,33 5.896,34 4.453,35 4.743,36 6.615,37 4.609,38 5.669,39 5.93,40 4.432,41 4.732,42 6.632,43 4.594,44 5.62,45 5.874,46 4.305,47 4.685,48 6.57,49 4.529,50 5.581,51 5.86,52 4.134,53 4.602,54 6.423,55 4.416,56 0.057,57 1.366,58 23.188,59 9.573,60 15.066,61 13.263,62 0.438,63 2.131,64 42.483,65 14.777,66 42.662,67 21.551,68 0.597,69 2.577,70 55.679,71 18.492,72 80.351,73 27.245,74 0.923,75 2.726,76 61.959,77 20.279,78 115.739,79 29.316,80 0.813,81 2.89,82 66.523,83 22.619,84 132.042,85 32.978,86 0.994,87 2.875,88 68.785,89 22.715,90 137.166,91 33.259,92 0.936,93 2.724,94 65.393,95 22.416,96 131.523,97 32.112,98 0.703,99 2.574,100 62.555,101 21.377,102 112.874,103 31.484,104 81,105 64,106 0.212,107 0.511,108 0.721,109 0.792,110 0.807,111 0.816,112 3.894,113 1.023,114 -3.58,115 -3.55,116 -3.38,121 38,122 2,123 8,126 2,127 6,137 2,140 2,144 8,145 2,146 2,158 2,160 2,176 14,179 2,180 15,185 3,187 12,191 1,192 13,196 1,197 3,200 7,205 2,206 15,209 2,211 1,214 8,219 10,222 2,224 2,227 12,231 2,232 10,237 2,239 18,243 2,244 7,247 2,249 3,251 18,256 5,261 3,264 10,269 10,274 4,277 7,281 6452,282 32.689,283 32.689,284 32.689,285 32.689,286 32.689,287 30.145,288 42.032,289 19.868,290 33.388,291 24.396,292 24.396,293 24.396,294 24.396,295 24.396,296 20.311,297 50.832,298 9.064,299 25.215,300 5.194,301 3.151,302 1.715,303 1.23,304 1.13,305 1.07,306 4.576,312 1,313 2264,314 5.831,318 653.223,325 4.111,326 55.063,329 0.75,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.71,337 104,338 1096,339 4.381,340 3.725,341 6.25,342 3.974,343 2.988,344 3.846,345 1.943,346 9.366,347 2.947,348 4.221,349 3.725,350 6.214,351 3.887,352 2.922,353 3.808,354 1.943,355 9.279,356 2.815,357 4.221,358 3.581,359 6.214,360 3.887,361 2.922,362 3.808,363 0.86,364 9.279,365 2.815,366 3.89,367 3.125,368 5.924,369 3.616,370 2.646,371 3.077,372 0.86,373 8.197,374 2.563,375 3.89,376 3.125,377 5.924,378 3.616,379 2.646,380 3.077,381 0.736,382 8.197,383 2.563,384 3.772,385 2.889,386 5.741,387 3.392,388 2.422,389 3.014,390 0.736,391 7.583,392 2.34,393 3.266,394 2.437,395 4.559,396 2.833,397 1.846,398 2.385,399 0.6,400 4.72,401 1.816,402 2.965,403 2.356,404 4.462,405 2.82,406 1.839,407 2.102,408 0.4,409 4.444,410 1.8,411 2.962,412 2.356,413 4.462,414 2.697,415 1.715,416 2.102,417 0.079,418 4.442,419 1.675,420 2.917,421 1.948,422 4.096,423 2.598,424 1.626,425 2.066,426 0.079,427 3.753,428 1.574,429 2.917,430 1.859,431 4.093,432 2.543,433 1.57,434 2.066,436 3.686,437 1.526,438 2.839,439 1.857,440 3.886,441 2.461,442 1.493,443 1.841,445 3.361,446 1.437,447 2.756,448 1.749,449 3.713,450 2.456,451 1.474,452 1.765,454 3.175,455 1.436,456 2.619,457 1.616,458 3.619,459 2.349,460 1.371,461 1.583,463 2.995,464 1.336,465 2.536,466 1.491,467 3.612,468 2.303,469 1.317,470 1.496,472 2.95,473 1.293,474 22.6,475 0.471,476 0.869,477 0.018,478 51.5,479 1.073,480 22,481 0.458,482 29.5,483 0.615,484 55.169,485 1.149,486 55.4,487 0.554,488 46.502,489 0.969,490 10.282,491 0.214,492 13.021,493 0.271,494 0.147,496 0.257,501 0.78,502 1.487,503 0.92,504 1.297,505 0.632,506 1.152,507 0.935,508 1.171,509 0.974,510 1.062,511 0.616,512 1.02,513 0.988,514 1.086,515 0.937,516 1.013,517 0.929,518 0.965,519 1.271,520 1.102,521 1.162,522 1.085,523 1.347,524 1.105,525 0.996,526 1.042,527 1.039,528 1.055,529 1.152,530 1.053,531 1.049,532 0.948,533 1.027,534 0.976,535 1.137,536 0.992,537 1.136,538 0.982,539 1.147,540 1.068,541 1.213,542 1.111,543 0.958,544 1.032,545 1.054,546 1.05,547 1.135,548 1.071,549 8,550 0.248,551 5.333,552 2.75,553 2.569,554 1.486,555 0.937,556 0.503,557 0.304,558 0.322,559 54788,560 134864,561 1.972,562 52,563 8,564 28,567 2,568 4,569 10,572 1.834,573 1.846,574 4.4,575 0.065,582 145.032,583 1.45,584 3.493,585 4.928,586 5.414,587 5.514,588 5.574,589 3.804,590 4.387,591 5.558,592 4.702,593 5304.02,594 9.815,595 127305,600 664.386,601 1.384,602 5.513,603 0.16,604 0.005,605 0.083,606 0.039,607 0.039,608 0.023,609 0.015,610 0.009,611 0.007,612 0.007,613 0.388,614 0.33,615 0.63,616 0.846,617 301.14,618 -0.021,619 -0.191,620 0.037,621 -0.083,622 -0.021,623 -0.026,624 -0.014,625 -0.016,626 0.014,627 -0.003,628 0.029,629 0.009,630 -0.006,631 -0.011,632 0.058,633 -0.003,634 0.017,635 0.035,636 -0.077,637 -0.054,638 -0.142,639 -0.081,640 -0.1,641 -0.119,642 -0.031,643 -0.04,644 -0.053,645 -0.056,646 -0.028,647 -0.057,648 -0.015,649 0.027,650 -0.031,651 0.001,652 -0.026,653 -0.012,654 -0.076,655 -0.012,656 -0.152,657 -0.074,658 -0.083,659 -0.122,660 -0.077,661 -0.1,662 -0.084,663 -0.071,664 -0.117,665 -0.08,666 1.916,667 5.785,668 0.375,669 92.417,670 0.996,671 1.132,672 2.347,673 5.509,674 0.63,675 3.932,676 4.174,677 4.394,678 4.533,679 4.673,680 4.615,681 4.554,682 4.489,683 4.489,684 4.489,685 13.747,686 0.59,687 660.94,688 3.932,689 5.434,690 6.248,691 7.081,692 7.912,693 8.749,694 9.586,695 10.425,696 11.264,697 12.105,698 4,700 1,705 2,707 1,715 8,720 4,722 12,739 2,741 100,743 18,744 2,745 50,747 102,748 38,749 12,750 4,751 8,752 6,756 3,757 3,763 2,770 8,772 20,773 18,777 6,782 3,784 2,785 1,786 6,793 52,794 10,795 2,796 10,802 4,808 1,809 6,829 3,839 1,841 1,844 2,849 4,853 1,857 1,859 3,864 4,868 48,875 1,876 14,877 1,878 2,881 2,893 6,895 1,896 3,898 2,901 26,902 18.717,903 11.333,904 6.513,907 2.852,908 1.357,909 0.917,910 17.296,911 10.848,912 4.143,913 4.595,914 5.053,915 5.428,916 5.834,917 5.812,918 5.859,919 5.899,920 5.978,921 5.93,922 0.933,923 71,924 17.906,926 7.284,927 0.026,929 7.774,931 34.312,933 26.908,936 2.274,937 109.167,941 588.555,942 204.004,943 41.045,945 140.118,948 204.004,949 728.673,950 41.045,951 39.417,952 39.159,953 112.773,954 138.174,955 55.643,957 588.555,959 588.555,960 245.049,961 140.118,964 470.844,965 257.829,968 91.606,969 131.734,970 21.709,972 588.555,973 181.163,974 204.004,977 588.555,978 69.825,979 140.428,980 18.011,981 156.903,982 588.555,983 181.163,984 204.004,986 0.556,987 0.335,988 0.174,989 0.09,990 21,991 12,992 0.206,993 21,995 1,996 5.823,997 434.085,999 18,1000 266.078,1005 38.834,1006 21.379,1007 12.745,1009 181.163,1010 15.462,1015 3.525,1017 60.694,1018 973.722,1019 62,1024 38.188,1026 2.791,1027 4.393,1028 0.569,1031 99.577,1032 113.214,1034 0.218,1035 0.526,1036 0.742,1037 0.815,1038 0.83,1039 0.839,1040 5.357,1041 1.839,1042 6.192,1043 4.72,1044 4.86,1045 5.283,1046 2.968,1047 6.932,1048 4.801,1049 6.508,1050 1.715,1051 7.715,1052 4.444,1053 4.29,1054 4.934,1055 2.262,1056 7.743,1057 4.206,1058 7.781,1059 1.626,1060 9.341,1061 4.442,1062 6.385,1063 7.306,1064 3.723,1065 10.796,1066 6.269,1067 9.089,1068 1.57,1069 11.031,1070 3.753,1071 6.686,1072 7.801,1073 3.809,1074 12.43,1075 6.536,1076 10.433,1077 1.493,1078 12.761,1079 3.686,1080 8.188,1081 9.631,1082 4.843,1083 14.97,1084 8.015,1085 11.8,1086 1.474,1087 14.516,1088 3.361,1089 8.893,1090 10.517,1091 5.237,1092 16.925,1093 8.684,1094 13.184,1095 1.371,1096 16.288,1097 3.175,1098 10.148,1099 12.115,1100 6.087,1101 19.277,1102 9.92,1103 2.988,1104 1.317,1105 18.072,1106 2.995,1107 11.045,1108 13.199,1109 6.616,1110 21.37,1111 10.782,1112 2.922,1113 9.366,1114 19.864,1115 2.95,1116 12.192,1117 14.683,1118 7.377,1119 23.645,1120 11.909,1121 2.922,1122 9.279,1123 21.661,1124 3.846,1125 13.179,1126 15.873,1127 7.972,1128 25.801,1129 12.865,1130 2.646,1131 9.279,1132 23.463,1133 3.808,1134 14.28,1135 17.296,1136 8.686,1137 28.044,1138 13.945,1139 2.646,1140 8.197,1141 25.267,1142 3.808,1143 15.31,1144 18.548,1145 9.314,1146 30.232,1147 14.947,1148 2.422,1149 8.197,1150 27.075,1151 3.077,1152 16.393,1153 19.936,1154 10.005,1155 32.462,1156 16.008,1157 1.846,1158 7.583,1159 28.883,1160 3.077,1161 17.444,1162 21.223,1163 10.65,1164 34.667,1165 17.033,1166 53586,1167 84278,1168 32.591,1169 63.023,1170 71.42,1171 74.178,1172 74.394,1173 70.676,1174 70.726,1175 86.427,1176 16.472,1177 188.915,1178 68.614,1179 5.348,1180 5.725,1181 6.074,1182 5.007,1183 4.988,1184 6.846,1185 3.352,1186 16.052,1187 4.947,1188 29.267,1189 1.428,1190 1.484,1191 1.488,1192 1.414,1193 1.415,1194 1.729,1195 0.329,1196 3.778,1197 1.372,1198 3.992,1199 4.028,1200 3.926,1201 3.89,1202 7.432,1203 3.892,1204 3.926,1205 3.955,1206 3.865,1207 3.845,1208 7.426,1209 3.845,1210 3.907,1211 3.934,1212 3.862,1213 3.795,1214 7.425,1215 3.808,1216 3.765,1217 3.82,1218 3.65,1219 3.621,1220 6.469,1221 3.615,1222 3.752,1223 3.796,1224 3.648,1225 3.613,1226 4.875,1227 3.61,1228 3.616,1229 3.685,1230 3.485,1231 3.423,1232 4.846,1233 3.429,1234 3.578,1235 3.647,1236 3.427,1237 3.4,1238 4.617,1239 3.399,1240 3.404,1241 3.485,1242 3.239,1243 3.219,1244 4.39,1245 3.21,1246 0.088,1247 0.074,1248 0.125,1249 0.079,1250 0.06,1251 4.381,1252 0.077,1253 3.725,1254 0.039,1255 6.25,1256 0.187,1257 3.974,1258 0.059,1259 2.988,1260 3.846,1261 1.943,1262 9.366,1263 2.947,1264 1.912,1265 1.886,1266 2.037,1267 2.031,1268 1.346,1269 2.033,1270 1.911,1271 1.886,1272 2.035,1273 2.028,1274 1.341,1275 2.03,1276 1.856,1277 1.829,1278 2.005,1279 2.004,1280 1.192,1281 1.999,1282 1.76,1283 1.704,1284 1.99,1285 1.928,1286 1.19,1287 1.95,1288 1.729,1289 1.681,1290 1.89,1291 1.894,1292 1.039,1293 1.9,1294 1.585,1295 1.516,1296 1.841,1297 1.806,1298 1.012,1299 1.819,1300 1.565,1301 1.495,1302 1.828,1303 1.773,1304 0.982,1305 1.795,1306 1.401,1307 1.323,1308 1.689,1309 1.627,1310 0.939,1311 1.652,1312 4.615,1314 5.878,1316 7.332,1318 8.878,1320 10.472,1322 7.215,1327 10.483,1328 8.905,1329 3.135,1330 10.833,1333 3.668,1340 59.018,1341 145.032,1342 349.27,1343 492.837,1344 541.366,1345 551.366,1346 557.366,1347 178.866,1348 7.996,1349 120.77,1350 120.77,1351 18,1352 12.67,1353 4.248,1354 3.7,1355 118.913,1356 406,1357 312,1358 0.136,1359 369.125,1360 672.14,1361 892.425,1362 47992,1364 34.727,1365 0.723,1366 0.604,1367 34.727,1368 29.003,1369 23.303,1370 0.466,1371 0.341,1372 16.818,1373 22.376,1374 16.333,1375 13.678,1376 23.303,1377 17.054,1378 19.118,1379 0.299,1380 0.183,1381 19.118,1382 11.706,1383 15.978,1384 0.2,1385 0.105,1386 15.978,1387 8.367,1388 12.178,1389 0.132,1390 0.06,1391 12.178,1392 5.535,1393 9.188,1394 0.087,1395 0.034,1396 9.188,1397 3.602,1398 0.231,1399 146.415,1400 0.175,1401 43.751,1402 0.329,1403 228,1404 686.096,1405 250.664,1406 647.771,1407 860.85,1408 606,1409 258,1410 600.467,1411 281.057,1412 606.542,1413 874.68,1414 568,1415 4.936}
{0 CHEMBL242191,1 1.392,2 22.636,3 5.862,4 34.36,5 183.825,6 6.301,7 0.261,8 4.605,9 4.741,10 4.009,11 4.085,12 5.597,13 4.033,14 5.174,15 5.39,16 4.271,17 4.448,18 6.061,19 4.363,20 5.419,21 5.659,22 4.37,23 4.611,24 6.305,25 4.489,26 5.556,27 5.828,28 4.316,29 4.643,30 6.373,31 4.49,32 5.553,33 5.823,34 4.262,35 4.655,36 6.388,37 4.486,38 5.596,39 5.883,40 4.149,41 4.625,42 6.36,43 4.442,44 5.491,45 5.773,46 4.052,47 4.551,48 6.255,49 4.358,50 5.448,51 5.746,52 4.003,53 4.465,54 6.186,55 4.273,56 0.096,57 1.316,58 23.242,59 9.212,60 15.868,61 13.155,62 0.388,63 2.053,64 41.461,65 14.081,66 36.137,67 21.065,68 0.487,69 2.479,70 52.452,71 18.517,72 59.392,73 27.551,74 0.782,75 2.652,76 60.31,77 20.287,78 71.492,79 30.568,80 0.629,81 2.67,82 59.56,83 21.01,84 82.576,85 31.354,86 0.724,87 2.632,88 62.482,89 20.946,90 75.368,91 31.38,92 0.594,93 2.418,94 55.834,95 19.844,96 64.157,97 29.298,98 0.517,99 2.244,100 53.277,101 18.55,102 60.058,103 27.74,104 41,105 58,106 0.206,107 0.489,108 0.686,109 0.766,110 0.798,111 0.816,112 3.809,113 1.042,114 -4.03,115 -3.98,116 -3.77,121 37.5,123 8,126 4,127 6,137 2,140 2,144 8,145 2,146 2,158 2,176 14,180 11,185 3,187 12,191 1,192 11,196 1,197 3,200 7,205 2,206 9,209 2,211 1,214 4,219 6,222 2,224 2,227 8,232 4,237 2,239 12,243 1,244 5,247 1,249 3,251 14,256 5,261 3,264 10,269 7,274 3,277 7,281 5436,282 29.949,283 29.949,284 29.949,285 29.949,286 29.949,287 27.665,288 37.708,289 18.587,290 30.634,291 22.619,292 22.619,293 22.619,294 22.619,295 22.619,296 19.079,297 49.016,298 8.73,299 23.514,300 5.193,301 3.28,302 1.951,303 1.409,304 1.193,305 1.073,306 4.494,312 1,313 2068,314 5.292,318 592.118,325 4.306,326 34.633,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 94,338 996,339 4.381,340 3.581,341 6.25,342 3.974,343 2.988,344 3.846,345 0.916,346 9.366,347 2.947,348 4.204,349 3.177,350 6.153,351 3.833,352 2.867,353 3.805,354 0.916,355 9.086,356 2.768,357 4.204,358 3.177,359 6.153,360 3.833,361 2.867,362 3.805,363 0.86,364 9.086,365 2.768,366 3.773,367 2.889,368 5.741,369 3.392,370 2.422,371 3.014,372 0.86,373 7.583,374 2.34,375 3.342,376 2.654,377 5.04,378 3.215,379 2.291,380 2.39,381 0.6,382 6.065,383 2.117,384 3.342,385 2.654,386 5.04,387 3.214,388 2.291,389 2.387,390 0.4,391 6.065,392 2.116,393 3.265,394 2.437,395 4.559,396 2.821,397 1.832,398 2.383,399 0.172,400 4.72,401 1.804,402 2.917,403 1.973,404 4.282,405 2.8,406 1.817,407 2.087,408 0.172,409 4.003,410 1.782,411 2.917,412 1.948,413 4.282,414 2.663,415 1.675,416 2.087,418 3.999,419 1.648,420 2.884,421 1.918,422 3.924,423 2.494,424 1.545,425 1.947,427 3.679,428 1.46,429 2.855,430 1.759,431 3.812,432 2.481,433 1.531,434 1.941,436 3.54,437 1.445,438 2.796,439 1.642,440 3.656,441 2.44,442 1.451,443 1.822,445 3.051,446 1.431,447 2.731,448 1.508,449 3.619,450 2.42,451 1.425,452 1.741,454 3.022,455 1.417,456 2.551,457 1.495,458 3.604,459 2.287,460 1.32,461 1.474,463 2.899,464 1.271,465 2.266,466 1.279,467 3.383,468 2.166,469 1.186,470 1.241,472 2.527,473 1.16,474 20.933,475 0.476,476 0.767,477 0.017,478 46,479 1.045,480 19,481 0.432,482 27,483 0.614,484 49.17,485 1.117,486 51.067,487 0.532,488 38.034,489 0.864,490 9.211,491 0.209,492 12.195,493 0.277,494 0.127,496 0.229,501 0.882,502 1.511,503 0.983,504 1.313,505 0.751,506 1.181,507 1.206,508 1.089,509 1.06,510 1.003,511 0.697,512 0.997,513 0.858,514 1.204,515 0.996,516 1.147,517 0.762,518 1.094,519 0.943,520 1.005,521 0.989,522 0.985,523 0.835,524 0.991,525 0.811,526 1.093,527 1.037,528 1.11,529 0.886,530 1.1,531 1.191,532 0.905,533 1.076,534 0.934,535 1.222,536 0.983,537 0.941,538 0.971,539 1.081,540 1.055,541 1.178,542 1.083,543 0.909,544 0.956,545 0.925,546 0.949,547 1.142,548 0.945,549 7,550 0.198,551 4,552 2.25,553 2.249,554 1.042,555 0.607,556 0.392,557 0.254,558 0.242,559 45880,560 101370,561 1.995,562 54.2,563 8,564 34,567 2,569 8,572 1.812,573 1.886,574 4.379,575 0.058,582 133.616,583 1.392,584 3.305,585 4.634,586 5.176,587 5.392,588 5.512,589 3.789,590 4.243,591 5.43,592 4.693,593 4439.26,594 9.555,595 102483,600 632.156,601 1.293,602 5.398,603 0.152,604 0.005,605 0.069,606 0.037,607 0.04,608 0.02,609 0.013,610 0.01,611 0.006,612 0.006,613 0.359,614 0.33,615 0.75,616 0.719,617 271.417,618 -0.006,619 -0.201,620 0.045,621 -0.088,622 -0.008,623 -0.028,624 -0.129,625 0.075,626 -0.026,627 0.05,628 0.026,629 0.033,630 0.053,631 -0.123,632 -0.001,633 -0.104,634 0.107,635 -0.065,636 0.058,637 -0.003,638 0.005,639 -0.006,640 0.039,641 -0.009,642 0.036,643 -0.085,644 -0.063,645 -0.106,646 0.064,647 -0.097,648 -0.134,649 0.046,650 -0.085,651 0.022,652 -0.135,653 -0.018,654 -0.055,655 -0.002,656 -0.11,657 -0.069,658 -0.126,659 -0.093,660 -0.026,661 -0.036,662 0.038,663 0.016,664 -0.068,665 0.031,666 1.818,667 5.567,668 0.409,669 89.504,670 0.989,671 1.133,672 2.796,673 7.82,674 0.626,675 3.85,676 4.078,677 4.263,678 4.419,679 4.554,680 4.443,681 4.369,682 4.344,683 4.317,684 4.344,685 13.603,686 0.579,687 604.92,688 3.85,689 5.342,690 6.142,691 6.967,692 7.784,693 8.613,694 9.437,695 10.27,696 11.098,697 11.933,698 4.2,700 1,701 2,707 1,715 8,720 4,722 12,739 2,741 96,743 16,744 2,745 46,747 98,748 36,749 12,750 4,751 8,752 6,756 3,757 3,770 8,772 18,773 18,777 4,782 1,784 2,785 1,786 4,793 52,794 8,795 2,796 8,802 4,808 1,809 4,829 3,839 1,841 1,849 4,853 1,855 2,857 1,859 3,864 4,868 44,875 1,876 14,877 1,878 2,881 2,893 4.2,895 1,896 1,898 2,901 23.333,902 17.883,903 10.278,904 5.979,907 2.903,908 1.369,909 0.92,910 16.26,911 10.764,912 4.043,913 4.489,914 4.945,915 5.355,916 5.761,917 5.678,918 5.687,919 5.69,920 5.662,921 5.696,922 0.933,923 61,924 16.344,926 6.524,927 0.026,929 7.587,931 32.006,933 25.141,936 2.087,937 91.833,941 588.555,942 193.737,943 41.045,945 89.828,948 193.737,949 678.383,950 41.045,951 38.559,952 32.91,953 112.773,954 78.475,955 61.892,957 588.555,959 588.555,960 234.782,961 89.828,964 494.386,965 183.997,968 73.955,969 139.117,970 21.709,972 588.555,973 130.873,974 193.737,977 588.555,978 60.415,979 139.57,980 18.011,981 106.614,982 588.555,983 130.873,984 193.737,986 0.554,987 0.319,988 0.169,989 0.09,990 19,991 10,992 0.214,993 21,995 1,996 5.693,997 375.574,999 18,1000 240.215,1005 35.517,1006 20.144,1007 12.899,1009 130.873,1010 16.293,1015 4.267,1017 60.694,1018 913.165,1019 56,1024 12.567,1026 2.966,1027 4.46,1028 0.755,1031 94.923,1032 108.796,1034 0.211,1035 0.502,1036 0.704,1037 0.786,1038 0.819,1039 0.837,1040 5.247,1041 1.817,1042 6.071,1043 4.72,1044 4.762,1045 5.176,1046 2.08,1047 6.777,1048 4.691,1049 6.384,1050 1.675,1051 7.565,1052 4.003,1053 4.111,1054 4.745,1055 0.57,1056 7.496,1057 3.992,1058 7.642,1059 1.545,1060 9.163,1061 3.999,1062 6.248,1063 7.19,1064 1.689,1065 10.565,1066 6.114,1067 8.937,1068 1.531,1069 10.826,1070 3.679,1071 6.463,1072 7.632,1073 0.674,1074 12.153,1075 6.282,1076 10.269,1077 1.451,1078 12.532,1079 3.54,1080 8.005,1081 9.523,1082 1.417,1083 14.702,1084 7.817,1085 11.627,1086 1.425,1087 14.268,1088 3.051,1089 8.65,1090 10.389,1091 0.66,1092 16.641,1093 8.424,1094 13.007,1095 1.32,1096 16.024,1097 3.022,1098 9.93,1099 12.027,1100 1.203,1101 18.998,1102 9.694,1103 2.988,1104 1.186,1105 17.795,1106 2.899,1107 10.792,1108 13.108,1109 0.611,1110 21.087,1111 10.525,1112 2.867,1113 9.366,1114 19.577,1115 2.527,1116 11.952,1117 14.615,1118 1.023,1119 23.366,1120 11.674,1121 2.867,1122 9.086,1123 21.366,1124 3.846,1125 12.921,1126 15.809,1127 0.55,1128 25.522,1129 12.617,1130 2.422,1131 9.086,1132 23.162,1133 3.805,1134 14.029,1135 17.246,1136 0.869,1137 27.767,1138 13.711,1139 2.291,1140 7.583,1141 24.962,1142 3.805,1143 15.05,1144 18.502,1145 0.487,1146 29.956,1147 14.71,1148 2.291,1149 6.065,1150 26.766,1151 3.014,1152 16.136,1153 19.899,1154 0.735,1155 32.186,1156 15.78,1157 1.832,1158 6.065,1159 28.573,1160 2.39,1161 17.183,1162 21.189,1163 0.427,1164 34.39,1165 16.807,1166 44608,1167 66500,1168 30.394,1169 60.114,1170 65.565,1171 66.394,1172 67.078,1173 64.724,1174 64.701,1175 78.309,1176 9.795,1177 168.77,1178 62.263,1179 5.346,1180 5.581,1181 6.113,1182 5.006,1183 4.988,1184 6.846,1185 1.776,1186 16.052,1187 4.947,1188 24.131,1189 1.425,1190 1.443,1191 1.458,1192 1.407,1193 1.407,1194 1.702,1195 0.213,1196 3.669,1197 1.354,1198 3.986,1199 4.024,1200 3.917,1201 3.887,1202 7.428,1203 3.888,1204 3.922,1205 3.953,1206 3.86,1207 3.844,1208 6.469,1209 3.843,1210 3.907,1211 3.934,1212 3.859,1213 3.795,1214 4.877,1215 3.808,1216 3.754,1217 3.819,1218 3.602,1219 3.619,1220 4.847,1221 3.604,1222 3.736,1223 3.793,1224 3.592,1225 3.609,1226 4.617,1227 3.596,1228 3.575,1229 3.655,1230 3.433,1231 3.38,1232 4.395,1233 3.38,1234 3.53,1235 3.606,1236 3.374,1237 3.345,1238 4.393,1239 3.341,1240 3.342,1241 3.429,1242 3.191,1243 3.142,1244 4.351,1245 3.141,1246 0.095,1247 0.078,1248 0.136,1249 0.086,1250 0.065,1251 4.381,1252 0.084,1253 3.581,1254 0.02,1255 6.25,1256 0.204,1257 3.974,1258 0.064,1259 2.988,1260 3.846,1261 0.916,1262 9.366,1263 2.947,1264 1.912,1265 1.885,1266 2.05,1267 2.03,1268 1.377,1269 2.037,1270 1.911,1271 1.885,1272 2.046,1273 2.026,1274 1.374,1275 2.034,1276 1.856,1277 1.829,1278 2.006,1279 2.003,1280 1.194,1281 1.999,1282 1.767,1283 1.703,1284 1.996,1285 1.93,1286 1.189,1287 1.956,1288 1.736,1289 1.68,1290 1.902,1291 1.894,1292 1.079,1293 1.908,1294 1.552,1295 1.475,1296 1.809,1297 1.778,1298 1.056,1299 1.793,1300 1.517,1301 1.441,1302 1.77,1303 1.733,1304 0.938,1305 1.751,1306 1.326,1307 1.242,1308 1.63,1309 1.57,1310 0.803,1311 1.594,1312 4.533,1314 5.784,1316 7.219,1318 8.747,1320 10.328,1322 7.696,1327 10.451,1328 13.62,1329 3.22,1330 10.903,1333 4.636,1340 55.588,1341 133.616,1342 317.305,1343 444.872,1344 496.872,1345 517.627,1346 529.137,1347 124.106,1348 7.861,1349 86.63,1350 86.63,1351 18,1352 12.504,1353 4.087,1354 3.459,1355 103.212,1356 364,1357 290,1358 0.13,1359 347.803,1360 625.24,1361 840.399,1362 42076,1364 31.572,1365 0.718,1366 0.618,1367 31.572,1368 27.187,1369 21.405,1370 0.465,1371 0.347,1372 15.749,1373 20.604,1374 15.234,1375 12.835,1376 21.405,1377 15.972,1378 17.744,1379 0.306,1380 0.2,1381 17.744,1382 11.573,1383 14.094,1384 0.201,1385 0.112,1386 14.094,1387 7.855,1388 11.002,1389 0.134,1390 0.065,1391 11.002,1392 5.359,1393 8.477,1394 0.09,1395 0.037,1396 8.477,1397 3.523,1398 0.223,1399 134.12,1400 0.181,1401 41.252,1402 0.311,1403 208,1404 558.624,1405 224.903,1406 534.349,1407 716.65,1408 502,1409 232,1410 501.082,1411 250.404,1412 515.85,1413 737.86,1414 478,1415 7.109}
{0 CHEMBL242287,1 1.669,2 8.4,3 3.942,4 15.539,5 62.938,6 10.854,7 0.571,8 3.405,9 3.461,10 3.239,11 3.019,12 4.929,13 3.073,14 3.855,15 3.926,16 3.637,17 3.33,18 5.52,19 3.408,20 4.15,21 4.266,22 3.775,23 3.349,24 5.971,25 3.469,26 4.086,27 4.194,28 3.741,29 3.124,30 6.281,31 3.285,32 3.835,33 3.929,34 3.434,35 2.952,36 5.852,37 3.091,38 3.658,39 3.736,40 3.35,41 2.882,42 5.699,43 3,44 3.654,45 3.787,46 3.277,47 2.788,48 5.816,49 2.879,50 3.471,51 3.681,52 2.766,53 2.466,54 5.043,55 2.524,56 0.331,57 0.637,58 0.956,59 2.435,60 69,61 1.759,62 0.581,63 1.011,64 1.801,65 3.862,66 116.831,67 2.79,68 1.097,69 1.252,70 7.007,71 5.235,72 225.612,73 3.719,74 1.325,75 1.229,76 7.532,77 4.67,78 267.338,79 3.051,80 0.91,81 0.689,82 6.219,83 3.493,84 197.513,85 2.203,86 0.701,87 0.727,88 3.184,89 2.971,90 150.517,91 1.835,92 0.819,93 0.895,94 4.238,95 3.22,96 157.677,97 2.458,98 0.61,99 0.64,100 6.129,101 2.923,102 117.014,103 2.78,104 37,105 30,106 0.325,107 0.519,108 0.62,109 0.721,110 0.721,111 0.721,112 3.058,113 0.77,114 -5.16,115 -5.06,116 -4.73,121 53.8,144 6,145 2,146 4,159 2,176 4,180 2,187 6,191 1,192 4,200 3,206 6,214 2,219 4,227 5,239 4,251 4,281 464,282 12.776,283 12.776,284 12.776,285 12.776,286 12.776,287 10.997,288 8.258,289 7.279,290 12.955,291 10.269,292 10.269,293 10.269,294 10.269,295 10.269,296 7.559,297 5.613,298 3.408,299 10.609,300 3.031,301 2.039,302 1.52,303 1,304 1,305 1,306 3.705,311 1,312 1,313 344,314 3,318 139.244,325 1.2,326 59.29,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 48,338 168,339 4.503,340 3.87,341 6.722,342 4.167,343 3.154,344 4.12,346 10.719,347 3.195,348 4.239,349 3.26,350 6.246,351 3.813,352 2.845,353 3.9,355 9.166,356 2.746,357 3.799,358 3.056,359 5.435,360 3.369,361 2.4,362 3.22,364 6.785,365 2.299,366 3.483,367 2.83,368 5.028,369 3.058,370 2.118,371 2.809,373 5.927,374 1.972,375 3.195,376 2.619,377 4.81,378 2.749,379 1.815,380 2.403,382 5.024,383 1.662,384 2.884,385 2.549,386 4.333,387 2.431,388 1.475,389 2.013,391 3.855,392 1.386,393 2.7,394 1.567,395 3.969,396 2.211,397 1.214,398 1.767,400 3.118,401 1.2,402 2.327,403 1.565,404 3.36,405 1.722,406 0.66,407 0.994,409 1.533,410 0.685,411 1.256,412 0.551,413 2.57,414 0.831,415 -0.101,416 -0.128,418 -0.236,419 -0.091,420 1.249,421 0.517,422 2.359,423 0.768,424 -0.225,425 -0.325,427 -0.498,428 -0.215,429 0.796,430 0.235,431 2.359,432 0.361,433 -0.515,434 -0.621,436 -1.242,437 -0.426,438 0.796,439 0.235,440 2.151,441 0.361,442 -0.515,443 -0.621,445 -1.242,446 -0.426,447 0.279,448 -0.312,449 1.826,450 -0.157,451 -1.148,452 -1.527,454 -2.984,455 -1.075,456 0.141,457 -0.831,458 1.444,459 -0.233,460 -1.154,461 -1.553,463 -3.1,464 -1.077,465 0.036,466 -1.038,467 1.372,468 -0.348,469 -1.359,470 -1.933,472 -3.689,473 -1.33,474 8.81,475 0.44,476 0.689,477 0.034,478 27,479 1.35,480 15,481 0.75,482 12,483 0.6,484 11.816,485 0.591,486 21.79,487 0.838,488 22.107,489 1.105,490 5.931,491 0.297,492 3.466,493 0.173,494 0.205,496 0.454,499 4,501 0.553,502 0.735,503 0.48,504 0.856,505 0.589,506 0.775,507 0.712,508 0.945,509 0.618,510 1.1,511 0.707,512 0.996,513 1.13,514 1.083,515 1.063,516 1.064,517 1.119,518 1.01,519 1.032,520 0.898,521 1.03,522 0.996,523 1.06,524 0.992,525 1.089,526 0.736,527 1.085,528 0.77,529 1.189,530 0.811,531 0.928,532 0.987,533 0.94,534 0.989,535 0.976,536 1.014,537 0.809,538 1.113,539 1.025,540 1.129,541 0.741,542 1.262,543 1.169,544 1.234,545 1.36,546 1.152,547 1.109,548 1.29,549 5,550 0.041,551 3.111,552 2.125,553 1.467,554 0.75,555 0.446,556 0.205,557 0.221,558 0.04,559 3265,560 17421,561 1.911,562 23.1,564 6,572 1.62,573 1.714,574 3.048,575 -0.689,582 43.399,583 1.669,584 2.661,585 3.181,586 3.7,587 3.7,588 3.7,589 2.446,590 3.322,591 4.295,592 3.133,593 595.318,594 7.35,595 5968.22,597 1,599 1,600 122.211,601 1.571,602 4.201,603 0.238,604 0.021,605 0.104,606 0.066,607 0.052,608 0.034,609 0.022,610 0.012,611 0.022,612 0.006,613 0.577,614 0.83,615 1,616 0.737,617 87.569,618 0.007,619 0.022,620 0.001,621 0.031,622 -0.025,623 0.025,624 -0.047,625 -0.14,626 -0.009,627 -0.202,628 -0.036,629 -0.16,630 -0.205,631 -0.142,632 -0.142,633 -0.112,634 -0.189,635 -0.063,636 0.051,637 0.091,638 -0.018,639 -0.036,640 0.049,641 -0.073,642 -0.15,643 0.001,644 -0.125,645 0.146,646 -0.165,647 0.125,648 -0.017,649 -0.134,650 -0.113,651 -0.068,652 -0.029,653 -0.157,654 0.224,655 -0.021,656 0.015,657 -0.137,658 0.242,659 -0.263,660 -0.18,661 -0.235,662 0.015,663 -0.126,664 -0.182,665 0.019,666 3.006,667 5.375,668 0.6,669 12.8,670 1.082,671 1.148,672 3.934,673 15.475,674 0.71,675 3.091,676 3.434,677 3.664,678 3.85,679 3.97,680 3.932,681 3.784,682 3.714,683 3.714,684 3.497,685 4.871,686 0.754,687 282.2,688 3.091,689 4.635,690 5.476,691 6.354,692 7.212,693 8.092,694 8.954,695 9.835,696 10.701,697 11.581,715 6,720 6,722 12,727 2,740 4,741 26,743 14,744 2,745 21,747 27,748 14,749 12,750 6,751 6,752 2,756 2,757 2,772 14,777 2,782 2,786 2,790 1,791 4,793 6,794 6,796 6,808 1,809 2,829 2,859 2,866 4,868 20,892 4,893 7.7,896 2,901 11.667,902 4.905,903 4.389,904 1.428,907 2.194,908 1.355,909 0.976,910 3.671,911 8.368,912 3.401,913 4.025,914 4.59,915 5.08,916 5.529,917 5.635,918 5.653,919 5.768,920 5.955,921 6.124,922 0.833,923 32,924 7.621,926 3.641,927 0.026,929 9.067,931 12.61,933 10.063,936 3.567,937 71.333,941 70.627,942 109.98,945 50.29,946 59.84,948 109.98,949 120.916,950 59.84,953 56.857,954 60.557,955 42.855,956 59.84,957 70.627,959 70.627,960 109.98,961 110.13,964 130.467,965 50.29,969 109.98,972 130.467,973 50.29,974 109.98,977 70.627,978 53.122,979 56.857,981 110.13,982 70.627,983 110.13,984 109.98,986 0.596,987 0.351,988 0.179,989 0.089,990 14,991 8,992 0.111,993 3,995 1,996 3.057,997 146.065,999 12,1000 66.439,1005 13.952,1006 5.262,1007 2.777,1009 110.13,1010 4.025,1015 -5.657,1018 290.737,1019 29,1024 23.484,1028 -2.68,1031 28.123,1032 29.854,1034 0.355,1035 0.566,1036 0.677,1037 0.787,1038 0.787,1039 0.787,1040 4.635,1041 0.66,1042 5.501,1043 3.118,1044 4.111,1045 4.71,1047 6.33,1048 4.057,1049 5.882,1050 -0.101,1051 7.091,1052 1.533,1053 3.892,1054 4.663,1056 7.29,1057 3.789,1058 7.21,1059 -0.225,1060 8.778,1061 -0.236,1062 5.733,1063 6.931,1065 10.382,1066 5.663,1067 8.571,1068 -0.515,1069 10.52,1070 -0.498,1071 6.256,1072 7.614,1074 12.119,1075 6.171,1076 9.958,1077 -0.515,1078 12.295,1079 -1.242,1080 7.644,1081 9.413,1083 14.768,1084 7.583,1085 11.365,1086 -1.148,1087 14.095,1088 -1.242,1089 8.497,1090 10.437,1092 16.838,1093 8.442,1094 12.787,1095 -1.154,1096 15.913,1097 -2.984,1098 9.718,1099 12.037,1101 19.319,1102 9.681,1103 3.154,1104 -1.359,1105 17.745,1106 -3.1,1107 10.72,1108 13.233,1110 21.539,1111 10.699,1112 2.845,1113 10.719,1114 19.589,1115 -3.689,1116 11.879,1117 14.736,1119 23.951,1120 11.874,1121 2.4,1122 9.166,1123 21.441,1124 4.12,1125 12.949,1126 16.023,1128 26.243,1129 12.963,1130 2.118,1131 6.785,1132 23.301,1133 3.9,1134 14.086,1135 17.478,1137 28.625,1138 14.117,1139 1.815,1140 5.927,1141 25.167,1142 3.22,1143 15.189,1144 18.815,1146 30.952,1147 15.239,1148 1.475,1149 5.024,1150 27.038,1151 2.809,1152 16.32,1153 20.244,1155 33.323,1156 16.388,1157 1.214,1158 3.855,1159 28.913,1160 2.403,1161 17.439,1162 21.61,1164 35.668,1165 17.526,1166 3383,1167 7890,1168 12.948,1169 18.466,1170 32.166,1171 34.44,1172 34.089,1173 31.649,1174 31.365,1175 42.452,1177 92.254,1178 30.289,1179 5.337,1180 5.87,1181 6.007,1182 5.167,1183 5.154,1184 7.12,1186 18.214,1187 5.195,1188 12.862,1189 1.532,1190 1.64,1191 1.623,1192 1.507,1193 1.494,1194 2.022,1196 4.393,1197 1.442,1198 3.995,1199 4.007,1200 3.973,1201 3.906,1202 8.214,1203 3.917,1204 3.876,1205 3.898,1206 3.845,1207 3.793,1208 8.208,1209 3.799,1210 3.412,1211 3.403,1212 3.399,1213 3.219,1214 8.191,1215 3.259,1216 2.945,1217 2.973,1218 2.949,1219 2.748,1220 8.191,1221 2.78,1222 2.9,1223 2.957,1224 2.838,1225 2.733,1226 7.496,1227 2.735,1228 2.886,1229 2.938,1230 2.787,1231 2.733,1232 7.352,1233 2.732,1234 2.637,1235 2.666,1236 2.6,1237 2.344,1238 4.486,1239 2.401,1240 2.303,1241 2.265,1242 2.298,1243 1.772,1244 4.45,1245 1.907,1246 0.214,1247 0.184,1248 0.32,1249 0.198,1250 0.15,1251 4.503,1252 0.196,1253 3.87,1255 6.722,1256 0.51,1257 4.167,1258 0.152,1259 3.154,1260 4.12,1262 10.719,1263 3.195,1264 1.927,1265 1.916,1266 1.99,1267 2.032,1268 1.082,1269 2.016,1270 1.842,1271 1.822,1272 1.923,1273 1.944,1274 1.011,1275 1.936,1276 1.278,1277 1.283,1278 1.327,1279 1.497,1280 0.299,1281 1.436,1282 0.864,1283 0.809,1284 1.118,1285 1.069,1286 0.158,1287 1.081,1288 0.86,1289 0.804,1290 1.111,1291 1.068,1292 0.146,1293 1.078,1294 0.806,1295 0.788,1296 0.9,1297 1.034,1299 0.977,1300 0.437,1301 0.419,1302 0.602,1303 0.778,1305 0.697,1308 0.272,1309 0.475,1311 0.323,1312 3.761,1314 5.094,1316 6.621,1318 8.237,1320 9.896,1324 52.161,1340 19.597,1341 43.399,1342 69.192,1343 82.702,1344 96.211,1345 96.211,1346 96.211,1347 81.401,1348 6.174,1349 34.14,1350 34.14,1351 12,1352 12.12,1353 3.907,1354 3.17,1355 36.321,1356 58,1357 56,1358 0.318,1359 119.643,1360 224.98,1361 283.688,1362 3037,1363 15.4,1364 14.861,1365 0.743,1366 0.49,1367 11.38,1368 9.792,1369 9.397,1370 0.447,1371 0.257,1372 5.261,1373 8.81,1374 5.227,1375 4.263,1376 7.788,1377 5.39,1378 8.837,1379 0.295,1380 0.13,1381 6.514,1382 3.907,1383 7.176,1384 0.189,1385 0.067,1386 5.616,1387 2.558,1388 5.72,1389 0.124,1390 0.035,1391 4.179,1392 1.592,1393 3.863,1394 0.074,1395 0.019,1396 3.131,1397 0.966,1398 0.482,1399 60.999,1400 0.278,1401 19.631,1402 0.919,1403 102,1404 625.916,1405 121.531,1406 492.57,1407 609.44,1408 450,1409 119,1410 398.606,1411 136.566,1412 377.577,1413 552.46,1414 354,1415 4}
{0 CHEMBL242288,1 1.669,2 7.2,3 3.942,4 15.539,5 62.938,6 10.854,7 0.571,8 3.405,9 3.461,10 3.239,11 3.019,12 4.93,13 3.073,14 3.855,15 3.926,16 3.637,17 3.33,18 5.499,19 3.408,20 4.151,21 4.264,22 3.836,23 3.346,24 5.979,25 3.487,26 4.125,27 4.216,28 3.895,29 3.115,30 6.484,31 3.333,32 3.884,33 3.961,34 3.562,35 2.946,36 6.139,37 3.124,38 3.649,39 3.733,40 3.314,41 2.878,42 5.398,43 3.011,44 3.714,45 3.828,46 3.488,47 2.779,48 6.098,49 2.937,50 3.499,51 3.704,52 2.595,53 2.469,54 5.122,55 2.494,56 0.331,57 0.637,58 0.956,59 2.435,60 69.223,61 1.759,62 0.581,63 1.011,64 1.801,65 3.862,66 118.421,67 2.79,68 1.07,69 1.312,70 7.211,71 5.23,72 224.877,73 3.906,74 1.477,75 1.372,76 7.384,77 4.738,78 301.85,79 2.832,80 1.09,81 0.771,82 5.866,83 3.566,84 232.205,85 1.797,86 0.625,87 0.786,88 3.278,89 2.975,90 136.341,91 1.676,92 1.036,93 1.381,94 3.928,95 3.319,96 190.811,97 1.988,98 0.703,99 0.62,100 5.693,101 2.97,102 128.482,103 2.217,104 37,105 30,106 0.325,107 0.519,108 0.56,109 0.601,110 0.601,111 0.601,112 3.059,113 0.772,114 -5.16,115 -5.06,116 -4.73,121 53.8,144 6,145 2,146 4,159 2,176 4,180 2,187 6,191 1,192 2,200 3,206 4,219 6,227 4,232 2,239 2,251 4,264 4,277 1,281 448,282 12.88,283 12.88,284 12.88,285 12.88,286 12.88,287 11.047,288 8.258,289 7.355,290 13.038,291 10.249,292 10.249,293 10.249,294 10.249,295 10.249,296 7.522,297 6.664,298 3.376,299 10.563,300 3.031,301 2.039,302 1.827,303 1.615,304 1.615,305 1.615,306 3.705,311 1,312 1,313 294,314 3,318 135.617,325 1,326 61.933,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 48,338 144,339 4.581,340 3.904,341 6.912,342 4.238,343 3.236,344 4.224,346 11.408,347 3.244,348 4.336,349 3.371,350 6.56,351 3.918,352 2.954,353 4.01,355 10.153,356 2.836,357 3.653,358 3.056,359 5.46,360 3.228,361 2.223,362 3,364 6.453,365 2.203,366 3.232,367 2.673,368 4.841,369 2.787,370 1.879,371 2.481,373 5.104,374 1.678,375 3.232,376 2.592,377 4.841,378 2.787,379 1.879,380 2.481,382 5.104,383 1.678,384 2.984,385 2.592,386 4.317,387 2.527,388 1.512,389 2.159,391 3.751,392 1.53,393 2.701,394 1.356,395 3.804,396 2.208,397 1.207,398 1.768,400 2.789,401 1.201,402 2.351,403 1.356,404 3.354,405 1.772,406 0.742,407 1.061,409 1.684,410 0.739,411 1.173,412 0.873,413 2.59,414 0.77,415 -0.142,416 -0.17,418 -0.354,419 -0.123,420 1.169,421 0.85,422 2.352,423 0.701,424 -0.29,425 -0.414,427 -0.664,428 -0.275,429 1,430 0.159,431 2.352,432 0.557,433 -0.347,434 -0.445,436 -0.757,437 -0.303,438 1,439 0.159,440 2.151,441 0.557,442 -0.347,443 -0.445,445 -0.757,446 -0.303,447 0.189,448 -0.333,449 1.825,450 -0.235,451 -1.236,452 -1.593,454 -3.038,455 -1.106,456 0.046,457 -0.835,458 1.434,459 -0.362,460 -1.241,461 -1.606,463 -3.093,464 -1.106,465 0.044,466 -1.018,467 1.353,468 -0.364,469 -1.349,470 -2,472 -3.666,473 -1.375,474 8.81,475 0.44,476 0.656,477 0.033,478 27,479 1.35,480 15,481 0.75,482 12,483 0.6,484 12.098,485 0.605,486 21.79,487 0.838,488 22.534,489 1.127,490 5.962,491 0.298,492 3.469,493 0.173,494 0.205,496 0.454,499 4,501 0.553,502 0.735,503 0.48,504 0.856,505 0.588,506 0.775,507 0.712,508 0.945,509 0.618,510 1.1,511 0.724,512 0.996,513 1.099,514 1.15,515 0.864,516 1.078,517 1.104,518 0.898,519 1.074,520 1.096,521 0.867,522 1.015,523 1.069,524 0.855,525 1.186,526 0.892,527 1.163,528 0.775,529 1.228,530 0.796,531 1.223,532 1.101,533 1.062,534 1.009,535 1.309,536 0.941,537 0.873,538 1.135,539 0.872,540 1.149,541 0.809,542 1.14,543 1.494,544 1.21,545 2.059,546 1.127,547 1.383,548 1.561,549 4,551 3.111,552 2.625,553 1.467,554 0.583,555 0.571,556 0.139,557 0.114,559 3057,560 15629,561 1.911,562 23.1,564 6,572 1.625,573 1.714,574 2.83,575 -0.689,582 43.399,583 1.669,584 2.661,585 2.873,586 3.085,587 3.085,588 3.085,589 2.122,590 2.722,591 4.3,592 2.942,593 558.937,594 7.378,595 5637.1,597 1,599 1,600 122.211,601 1.571,602 4.201,603 0.19,605 0.104,606 0.077,607 0.046,608 0.024,609 0.029,610 0.007,611 0.014,613 0.491,614 0.83,615 1,616 0.737,617 86.407,618 0.007,619 0.022,620 0.001,621 0.031,622 -0.024,623 0.025,624 -0.047,625 -0.14,626 -0.009,627 -0.202,628 -0.054,629 -0.16,630 -0.173,631 -0.212,632 0.066,633 -0.127,634 -0.169,635 0.053,636 0.154,637 0.058,638 0.116,639 -0.037,640 0.176,641 -0.037,642 -0.067,643 0.058,644 -0.251,645 0.166,646 -0.04,647 0.006,648 -0.325,649 -0.253,650 -0.24,651 -0.09,652 -0.368,653 -0.081,654 0.377,655 0.216,656 0.121,657 -0.129,658 0.372,659 -0.295,660 -0.393,661 -0.062,662 -0.743,663 -0.083,664 -0.366,665 -0.354,666 3.315,667 5.377,668 0.6,669 11.6,670 1.082,671 1.148,672 3.934,673 15.475,674 0.71,675 3.091,676 3.434,677 3.714,678 3.932,679 3.97,680 3.85,681 3.807,682 3.714,683 3.611,684 3.497,685 4.503,686 0.754,687 282.2,688 3.091,689 4.635,690 5.493,691 6.382,692 7.252,693 8.144,694 9.019,695 9.912,696 10.789,697 11.681,715 6,720 6,722 12,727 2,740 4,741 26,743 14,744 2,745 21,747 27,748 14,749 12,750 6,751 6,752 2,756 2,757 2,772 14,777 2,782 2,786 2,790 1,791 4,793 6,794 6,796 6,808 1,809 2,829 2,859 2,866 4,868 20,892 4,893 7.7,896 2,901 11.667,902 4.905,903 4.444,904 1.441,907 2.261,908 1.366,909 0.976,910 3.671,911 8.435,912 3.401,913 4.025,914 4.62,915 5.134,916 5.511,917 5.515,918 5.635,919 5.844,920 5.942,921 6.124,922 0.8,923 34,924 7.709,926 3.778,927 0.026,929 9.067,931 12.61,933 10.072,936 3.567,937 71.333,941 70.627,942 109.98,945 50.29,946 59.84,948 109.98,949 120.916,950 59.84,953 56.857,954 60.557,955 42.855,956 59.84,957 70.627,959 70.627,960 109.98,961 110.13,964 130.467,965 50.29,969 109.98,972 130.467,973 50.29,974 109.98,977 70.627,978 53.122,979 56.857,981 110.13,982 70.627,983 110.13,984 109.98,986 0.594,987 0.369,988 0.199,989 0.088,990 14,991 8,992 0.111,993 3,995 1,996 2.994,997 149.283,999 12,1000 54.439,1005 13.952,1006 5.262,1007 2.489,1009 110.13,1010 5.052,1015 -7.388,1018 290.737,1019 29,1024 23.457,1028 -3.297,1031 28.123,1032 29.854,1034 0.355,1035 0.566,1036 0.611,1037 0.656,1038 0.656,1039 0.656,1040 4.635,1041 0.742,1042 5.517,1043 2.789,1044 4.111,1045 4.71,1047 6.385,1048 4.057,1049 5.882,1050 -0.142,1051 7.13,1052 1.684,1053 3.892,1054 4.663,1056 7.455,1057 3.789,1058 7.216,1059 -0.29,1060 8.848,1061 -0.354,1062 5.759,1063 6.948,1065 10.593,1066 5.682,1067 8.588,1068 -0.347,1069 10.625,1070 -0.664,1071 6.33,1072 7.679,1074 12.473,1075 6.228,1076 9.991,1077 -0.347,1078 12.44,1079 -0.757,1080 7.732,1081 9.481,1083 15.153,1084 7.647,1085 11.416,1086 -1.236,1087 14.28,1088 -0.757,1089 8.646,1090 10.569,1092 17.347,1093 8.549,1094 12.86,1095 -1.241,1096 16.139,1097 -3.038,1098 9.885,1099 12.172,1101 19.863,1102 9.798,1103 3.236,1104 -1.349,1105 18.012,1106 -3.093,1107 10.94,1108 13.43,1110 22.183,1111 10.849,1112 2.954,1113 11.408,1114 19.896,1115 -3.666,1116 12.122,1117 14.943,1119 24.637,1120 12.036,1121 2.223,1122 10.153,1123 21.787,1124 4.224,1125 13.235,1126 16.283,1128 27.011,1129 13.15,1130 1.879,1131 6.453,1132 23.685,1133 4.01,1134 14.399,1135 17.753,1137 29.442,1138 14.318,1139 1.879,1140 5.104,1141 25.587,1142 3,1143 15.537,1144 19.134,1146 31.84,1147 15.459,1148 1.512,1149 5.104,1150 27.493,1151 2.481,1152 16.695,1153 20.582,1155 34.263,1156 16.622,1157 1.207,1158 3.751,1159 29.402,1160 2.481,1161 17.844,1162 21.985,1164 36.673,1165 17.776,1166 3185,1167 7284,1168 12.948,1169 18.466,1170 32.045,1171 34.922,1172 34.46,1173 31.537,1174 31.266,1175 42.368,1177 92.894,1178 30.219,1179 5.423,1180 5.904,1181 6.458,1182 5.238,1183 5.236,1184 7.224,1186 19.001,1187 5.244,1188 12.468,1189 1.526,1190 1.663,1191 1.641,1192 1.502,1193 1.489,1194 2.018,1196 4.424,1197 1.439,1198 3.997,1199 4.009,1200 3.98,1201 3.906,1202 8.214,1203 3.919,1204 3.875,1205 3.898,1206 3.845,1207 3.793,1208 8.207,1209 3.799,1210 3.394,1211 3.389,1212 3.355,1213 3.221,1214 8.191,1215 3.25,1216 2.937,1217 2.985,1218 2.913,1219 2.75,1220 8.191,1221 2.761,1222 2.937,1223 2.985,1224 2.913,1225 2.73,1226 7.495,1227 2.753,1228 2.898,1229 2.929,1230 2.829,1231 2.73,1232 7.352,1233 2.753,1234 2.62,1235 2.655,1236 2.575,1237 2.346,1238 4.511,1239 2.392,1240 2.304,1241 2.266,1242 2.307,1243 1.772,1244 4.487,1245 1.907,1246 0.218,1247 0.186,1248 0.329,1249 0.202,1250 0.154,1251 4.581,1252 0.201,1253 3.904,1255 6.912,1256 0.543,1257 4.238,1258 0.154,1259 3.236,1260 4.224,1262 11.408,1263 3.244,1264 1.926,1265 1.915,1266 1.987,1267 2.032,1268 1.078,1269 2.014,1270 1.842,1271 1.822,1272 1.929,1273 1.944,1274 1.011,1275 1.937,1276 1.293,1277 1.291,1278 1.378,1279 1.494,1280 0.365,1281 1.453,1282 0.836,1283 0.809,1284 1.035,1285 1.074,1286 0.072,1287 1.047,1288 0.832,1289 0.787,1290 1.035,1291 1.074,1292 0.072,1293 1.047,1294 0.832,1295 0.787,1296 0.974,1297 1.029,1298 0.072,1299 1.008,1300 0.448,1301 0.427,1302 0.589,1303 0.776,1305 0.708,1308 0.305,1309 0.475,1311 0.322,1312 3.761,1314 5.094,1316 6.637,1318 8.279,1320 9.966,1324 53.51,1340 19.597,1341 43.399,1342 69.192,1343 74.702,1344 80.211,1345 80.211,1346 80.211,1347 80.316,1348 6.174,1349 34.14,1350 34.14,1351 12,1352 12.211,1353 3.907,1354 3.17,1355 36.111,1356 54,1357 42,1358 0.343,1359 119.643,1360 224.98,1361 283.688,1362 3037,1363 15.4,1364 14.861,1365 0.743,1366 0.49,1367 11.38,1368 9.792,1369 9.43,1370 0.449,1371 0.257,1372 5.273,1373 8.856,1374 5.243,1375 4.281,1376 7.788,1377 5.402,1378 8.644,1379 0.288,1380 0.128,1381 6.514,1382 3.852,1383 7.31,1384 0.183,1385 0.065,1386 5.616,1387 2.586,1388 6.189,1389 0.124,1390 0.033,1391 4.179,1392 1.657,1393 3.897,1394 0.075,1395 0.018,1396 3.131,1397 0.951,1398 0.51,1399 61.201,1400 0.278,1401 19.334,1402 1.031,1403 102,1404 625.916,1405 121.531,1406 492.297,1407 610.68,1408 450,1409 121,1410 400.606,1411 139.73,1412 379.306,1413 559.8,1414 356,1415 4}
{0 CHEMBL242296,1 1.68,2 10.375,3 6.889,4 47.461,5 85.968,6 12.691,7 0.364,8 3.823,9 3.876,10 3.741,11 3.296,12 5.362,13 3.427,14 4.46,15 4.539,16 4.411,17 3.649,18 6.979,19 3.824,20 4.514,21 4.594,22 4.323,23 3.795,24 6.393,25 3.946,26 4.787,27 4.915,28 4.428,29 3.738,30 6.674,31 3.977,32 4.737,33 4.837,34 4.485,35 3.552,36 6.911,37 3.878,38 4.702,39 4.799,40 4.614,41 3.394,42 7.511,43 3.733,44 4.255,45 4.329,46 4.11,47 3.367,48 6.523,49 3.572,50 4.412,51 4.536,52 4.153,53 3.264,54 6.649,55 3.535,56 1.231,57 1.766,58 0.78,59 4.323,60 260.682,61 2.183,62 2.738,63 3.422,64 4.476,65 7.236,66 529.913,67 3.482,68 2.591,69 2.941,70 3.958,71 8.22,72 502.199,73 5.068,74 3.871,75 3.095,76 13.613,77 9.768,78 757.314,79 5.398,80 3.558,81 2.885,82 12.003,83 8.479,84 745.144,85 3.967,86 3.779,87 3.633,88 10.886,89 7.59,90 753.719,91 2.924,92 2.033,93 2.038,94 3.201,95 5.804,96 408.393,97 3.339,98 2.653,99 2.248,100 9.235,101 6.575,102 526.004,103 4.243,104 213,105 54,106 0.302,107 0.49,108 0.554,109 0.618,110 0.675,111 0.675,112 3.503,113 0.718,114 -6.97,115 -6.78,116 -6.27,121 47.4,134 4,144 6,145 6,159 2,176 12,180 2,187 12,191 1,192 6,200 7,206 8,214 4,219 6,227 8,232 2,239 10,251 8,264 4,277 1,281 1640,282 18.664,283 18.664,284 18.664,285 18.664,286 18.664,287 17.249,288 19.567,289 9.963,290 19.621,291 16.207,292 16.207,293 16.207,294 16.207,295 16.207,296 13.729,297 21.711,298 4.675,299 18.032,300 3.568,301 2.527,302 2.172,303 1.816,304 1.501,305 1.501,306 4.146,312 1,313 662,314 5.745,318 240.048,325 1.5,326 139.106,329 0.75,330 0.67,331 0.83,332 0.5,333 0.5,334 0.83,335 1,336 0.73,337 84,338 332,339 4.693,340 4.492,341 7.332,342 4.396,343 3.473,344 4.253,345 3.825,346 12.637,347 3.306,348 4.61,349 4.487,350 7.294,351 4.317,352 3.428,353 4.126,354 3.825,355 12.445,356 3.1,357 4.356,358 4.444,359 7.09,360 4.111,361 3.261,362 3.596,363 3.825,364 11.595,365 2.828,366 4.321,367 4.442,368 7.086,369 4.084,370 3.247,371 3.493,372 3.825,373 11.573,374 2.726,375 4.088,376 3.829,377 6.468,378 3.826,379 2.879,380 3.253,382 9.713,383 2.587,384 3.649,385 3.008,386 5.831,387 3.306,388 2.382,389 2.839,391 7.82,392 2.133,393 3.273,394 2.437,395 5.057,396 2.846,397 1.913,398 2.445,400 5.691,401 1.718,402 2.984,403 2.363,404 4.69,405 2.562,406 1.628,407 2.097,409 4.908,410 1.469,411 2.706,412 1.776,413 4.532,414 2.256,415 1.304,416 1.742,418 4.082,419 1.206,420 2.587,421 1.771,422 4.227,423 2.122,424 1.162,425 1.619,427 3.246,428 1.096,429 2.572,430 1.288,431 3.974,432 2.095,433 1.112,434 1.598,436 2.945,437 1.079,438 2.262,439 1.288,440 3.383,441 1.635,442 0.55,443 0.856,445 1.352,446 0.586,447 1.008,448 0.51,449 2.947,450 0.604,451 -0.389,452 -0.5,454 -1.062,455 -0.381,456 1.008,457 0.51,458 2.811,459 0.576,460 -0.451,461 -0.647,463 -1.152,464 -0.46,465 0.62,466 0.51,467 2.81,468 0.168,469 -0.818,470 -1,472 -2.644,473 -0.7,474 13.095,475 0.409,476 1.844,477 0.058,478 35,479 1.094,480 15,481 0.469,482 20,483 0.625,484 29.079,485 0.909,486 39.105,487 1.029,488 45.1,489 1.409,490 7.833,491 0.245,492 6.409,493 0.2,494 0.313,495 0.153,496 0.305,498 12,501 0.699,502 0.866,503 0.481,504 0.996,505 0.803,506 0.872,507 0.449,508 0.557,509 0.444,510 0.79,511 0.472,512 0.874,513 0.73,514 0.914,515 0.659,516 1.212,517 0.7,518 1.271,519 1.293,520 1.089,521 1.429,522 1.105,523 1.277,524 1.174,525 1.312,526 1.172,527 1.272,528 1.044,529 1.36,530 0.945,531 0.707,532 0.636,533 0.85,534 0.619,535 0.731,536 0.737,537 0.732,538 1.036,539 0.662,540 1.182,541 0.716,542 1.239,543 1.049,544 1.229,545 1.06,546 1.194,547 1.007,548 1.243,549 13,550 0.405,551 6.222,552 3.875,553 3.102,554 3.056,555 1.017,556 0.799,557 0.683,558 0.414,559 10645,560 78177,561 1.782,562 15.8,564 6,572 1.751,573 1.548,574 3.321,575 -0.558,582 63.833,583 1.68,584 2.721,585 3.076,586 3.432,587 3.747,588 3.747,589 2.656,590 3.406,591 4.974,592 3.521,593 1746.24,594 8.735,595 24493,600 199.421,601 1.85,602 4.801,603 0.394,604 0.016,605 0.115,606 0.069,607 0.053,608 0.053,609 0.018,610 0.019,611 0.017,612 0.012,613 0.767,614 0.67,615 0.63,616 1.053,617 164.731,618 0.012,619 0.021,621 0.028,622 -0.07,623 0.021,624 0.445,625 0.454,626 0.228,627 0.23,628 0.411,629 -0.026,630 0.018,631 -0.112,632 0.124,633 -0.24,634 0.052,635 -0.208,636 -0.398,637 -0.24,638 -0.342,639 -0.16,640 -0.379,641 -0.038,642 -0.382,643 -0.31,644 -0.265,645 -0.123,646 -0.394,647 0.045,648 0.393,649 0.44,650 0.099,651 0.347,652 0.373,653 0.054,654 0.101,655 -0.179,656 0.153,657 -0.221,658 0.124,659 -0.26,660 -0.101,661 -0.345,662 0.108,663 -0.244,664 -0.063,665 -0.089,666 6.875,667 5.214,668 0.375,669 28.906,670 1.152,671 1.217,672 5.742,673 32.973,674 0.658,675 3.526,676 4.007,677 4.143,678 4.344,679 4.615,680 4.762,681 4.754,682 4.673,683 4.585,684 4.654,685 6.426,686 0.757,687 482.24,688 3.526,689 5.165,690 6.009,691 6.95,692 7.827,693 8.76,694 9.649,695 10.578,696 11.473,697 12.4,715 6,720 6,722 12,727 2,741 38,743 14,744 2,745 33,747 39,748 18,749 12,750 6,751 6,752 2,756 2,757 2,763 4,769 4,772 14,773 4,777 2,782 2,786 2,791 12,793 6,794 14,796 14,808 1,809 2,829 2,859 2,866 12,868 32,882 4,892 12,893 5.3,896 2,901 20.667,902 7.048,903 6.389,904 1.963,907 2.315,908 1.323,909 0.959,910 6.204,911 9.491,912 3.738,913 4.382,914 4.902,915 5.411,916 5.958,917 6.233,918 6.517,919 6.449,920 6.586,921 6.896,922 0.857,923 56,924 14.536,926 4.205,927 0.026,929 9.885,931 19.016,933 15.533,936 4.385,937 140.333,941 70.627,942 117.276,945 50.29,946 179.521,948 117.276,949 120.916,950 179.521,953 56.857,954 60.557,955 198.635,957 70.627,958 31.038,959 70.627,960 117.276,961 229.811,964 70.627,965 229.811,968 31.038,969 86.238,972 250.148,973 50.29,974 117.276,977 101.665,978 29.38,979 56.857,981 229.811,982 70.627,983 229.811,984 117.276,986 0.637,987 0.332,988 0.149,989 0.091,990 26,991 16,992 0.077,993 3,995 1,996 3.7,997 297.974,999 12,1000 108.98,1005 25.275,1006 7.855,1007 5.451,1009 229.811,1010 -1.15,1015 -11.65,1018 417.714,1019 41,1024 24.428,1028 -4.59,1031 43.759,1032 46.232,1034 0.32,1035 0.518,1036 0.586,1037 0.654,1038 0.714,1039 0.714,1040 5.094,1041 1.628,1042 6.184,1043 5.691,1044 4.691,1045 5.069,1046 4.387,1047 7.165,1048 4.513,1049 6.414,1050 1.304,1051 7.888,1052 4.908,1053 4.977,1054 5.308,1055 5.274,1056 8.718,1057 4.553,1058 7.811,1059 1.162,1060 9.705,1061 4.082,1062 6.608,1063 7.316,1064 6.803,1065 11.683,1066 6.237,1067 9.237,1068 1.112,1069 11.582,1070 3.246,1071 7.518,1072 8.193,1073 8.075,1074 13.852,1075 6.935,1076 10.685,1077 0.55,1078 13.49,1079 2.945,1080 8.843,1081 9.854,1082 9.444,1083 16.499,1084 8.262,1085 12.149,1086 -0.389,1087 15.418,1088 1.352,1089 9.95,1090 11,1091 10.775,1092 18.874,1093 9.218,1094 13.625,1095 -0.451,1096 17.358,1097 -1.062,1098 11.192,1099 12.528,1100 12.121,1101 21.425,1102 10.423,1103 3.473,1104 -0.818,1105 19.306,1106 -1.152,1107 12.366,1108 13.805,1109 13.461,1110 23.877,1111 11.489,1112 3.428,1113 12.637,1114 21.261,1115 -2.644,1116 13.587,1117 15.276,1118 14.803,1119 26.397,1120 12.654,1121 3.261,1122 12.445,1123 23.22,1124 4.253,1125 14.786,1126 16.62,1127 16.144,1128 28.88,1129 13.77,1130 3.247,1131 11.595,1132 25.182,1133 4.126,1134 16.002,1135 18.066,1136 17.486,1137 31.391,1138 14.927,1139 2.879,1140 11.573,1141 27.148,1142 3.596,1143 17.212,1144 19.449,1145 18.827,1146 33.89,1147 16.067,1148 2.382,1149 9.713,1150 29.115,1151 3.493,1152 18.429,1153 20.884,1154 20.169,1155 36.4,1156 17.225,1157 1.913,1158 7.82,1159 31.084,1160 3.253,1161 19.645,1162 22.288,1163 21.511,1164 38.906,1165 18.379,1166 11159,1167 30318,1168 18.493,1169 25.012,1170 54.381,1171 52.602,1172 55.382,1173 53.441,1174 52.676,1175 63.831,1176 30.602,1177 176.011,1178 47.668,1179 5.554,1180 6.492,1181 6.585,1182 5.396,1183 5.473,1184 7.253,1185 5.335,1186 20.689,1187 5.306,1188 27.327,1189 1.648,1190 1.594,1191 1.678,1192 1.619,1193 1.596,1194 1.934,1195 0.927,1196 5.334,1197 1.444,1198 4.039,1199 4.052,1200 4.023,1201 3.958,1202 8.526,1203 3.968,1204 3.936,1205 3.956,1206 3.917,1207 3.857,1208 8.51,1209 3.864,1210 3.529,1211 3.539,1212 3.549,1213 3.312,1214 8.509,1215 3.358,1216 3.43,1217 3.467,1218 3.477,1219 3.114,1220 8.509,1221 3.18,1222 3.363,1223 3.39,1224 3.401,1225 3.026,1226 7.999,1227 3.096,1228 3.187,1229 3.233,1230 3.192,1231 2.904,1232 7.999,1233 2.945,1234 3.061,1235 3.096,1236 3.047,1237 2.73,1238 7.999,1239 2.791,1240 2.673,1241 2.735,1242 2.619,1243 2.349,1244 7.999,1245 2.416,1246 0.142,1247 0.136,1248 0.222,1249 0.133,1250 0.105,1251 4.693,1252 0.129,1253 4.492,1254 0.116,1255 7.332,1256 0.383,1257 4.396,1258 0.1,1259 3.473,1260 4.253,1261 3.825,1262 12.637,1263 3.306,1264 1.969,1265 1.958,1266 2.026,1267 2.064,1268 1.175,1269 2.048,1270 1.899,1271 1.882,1272 1.969,1273 1.996,1274 1.122,1275 1.982,1276 1.362,1277 1.363,1278 1.388,1279 1.609,1280 0.436,1281 1.524,1282 1.17,1283 1.148,1284 1.208,1285 1.527,1286 0.287,1287 1.403,1288 1.102,1289 1.074,1290 1.205,1291 1.468,1292 0.261,1293 1.35,1294 1.002,1295 0.962,1296 1.139,1297 1.316,1298 0.223,1299 1.239,1300 0.839,1301 0.806,1302 0.918,1303 1.204,1305 1.122,1306 0.494,1307 0.432,1308 0.641,1309 0.868,1311 0.842,1312 4.205,1314 5.645,1316 7.244,1318 8.91,1320 10.615,1324 155.125,1334 -21.829,1340 28.77,1341 63.833,1342 103.382,1343 116.892,1344 130.402,1345 142.402,1346 142.402,1347 200.8,1348 7.176,1349 34.14,1350 34.14,1351 12,1352 12.91,1353 3.907,1354 3.17,1355 76.435,1356 124,1357 104,1358 0.31,1359 167.597,1360 342.74,1361 400.698,1362 10621,1363 31.6,1364 24.861,1365 0.777,1366 0.463,1367 14.861,1368 14.816,1369 14.242,1370 0.432,1371 0.239,1372 7.57,1373 12.93,1374 7.654,1375 6.106,1376 9.397,1377 7.902,1378 16.743,1379 0.31,1380 0.114,1381 8.837,1382 6.17,1383 10.662,1384 0.172,1385 0.065,1386 7.176,1387 4,1388 7.991,1389 0.105,1390 0.034,1391 5.72,1392 2.551,1393 6.632,1394 0.066,1395 0.017,1396 3.863,1397 1.699,1398 0.475,1399 95.607,1400 0.233,1401 29.108,1402 0.891,1403 174,1404 1386.8,1405 246.276,1406 998.093,1407 1204.04,1408 906,1409 203,1410 761.273,1411 249.667,1412 690.417,1413 1092.76,1414 642,1415 4}
{0 CHEMBL242506,1 1.68,2 9.375,3 6.889,4 47.461,5 85.968,6 12.691,7 0.364,8 3.823,9 3.876,10 3.741,11 3.296,12 5.361,13 3.427,14 4.46,15 4.539,16 4.411,17 3.649,18 6.98,19 3.824,20 4.513,21 4.593,22 4.301,23 3.778,24 6.426,25 3.925,26 4.78,27 4.937,28 4.306,29 3.703,30 6.578,31 3.915,32 4.554,33 4.612,34 4.461,35 3.57,36 6.504,37 3.888,38 4.868,39 4.968,40 4.745,41 3.425,42 7.705,43 3.811,44 4.292,45 4.368,46 4.133,47 3.306,48 6.819,49 3.514,50 4.143,51 4.241,52 3.957,53 3.286,54 6.089,55 3.488,56 1.231,57 1.766,58 0.78,59 4.323,60 260.46,61 2.183,62 2.738,63 3.422,64 4.476,65 7.236,66 530.969,67 3.482,68 2.584,69 2.855,70 2.28,71 8.212,72 488.569,73 4.942,74 4.029,75 2.762,76 20.464,77 9.584,78 798.005,79 5.959,80 2.706,81 3.271,82 2.896,83 7.69,84 568.858,85 3.177,86 4.477,87 3.578,88 14.419,89 8.554,90 897.55,91 3.38,92 2.125,93 1.659,94 7.016,95 5.464,96 449.573,97 3.538,98 1.886,99 2.314,100 1.635,101 5.709,102 347.458,103 3.27,104 213,105 54,106 0.302,107 0.49,108 0.516,109 0.542,110 0.542,111 0.542,112 3.503,113 0.717,114 -6.97,115 -6.78,116 -6.27,121 47.4,134 4,144 6,145 6,159 2,176 12,180 2,187 12,191 1,192 6,200 7,206 8,214 4,219 6,227 8,232 2,239 10,251 8,264 4,277 1,281 1640,282 18.559,283 18.559,284 18.559,285 18.559,286 18.559,287 17.2,288 19.567,289 9.901,290 19.516,291 16.233,292 16.233,293 16.233,294 16.233,295 16.233,296 13.766,297 20.145,298 4.715,299 18.063,300 3.568,301 2.527,302 2.382,303 2.237,304 2.237,305 2.237,306 4.146,312 1,313 596,314 5.745,318 238.855,325 1.453,326 137.791,329 0.75,330 0.67,331 0.83,332 0.5,333 0.5,334 0.83,335 1,336 0.73,337 84,338 300,339 4.614,340 4.483,341 7.189,342 4.315,343 3.414,344 4.16,345 3.825,346 11.999,347 3.214,348 4.566,349 4.482,350 7.184,351 4.277,352 3.397,353 4.059,354 3.825,355 11.972,356 3.036,357 4.292,358 4.439,359 7.052,360 4.059,361 3.23,362 3.562,363 3.825,364 11.446,365 2.858,366 4.292,367 4.439,368 7.052,369 4.059,370 3.23,371 3.425,372 3.825,373 11.446,374 2.676,375 4.253,376 3.835,377 6.517,378 3.978,379 2.979,380 3.425,382 9.994,383 2.676,384 3.749,385 2.992,386 5.729,387 3.392,388 2.43,389 3.032,391 7.742,392 2.304,393 3.267,394 2.416,395 4.965,396 2.842,397 1.915,398 2.427,400 5.743,401 1.713,402 2.984,403 2.36,404 4.733,405 2.566,406 1.633,407 2.095,409 4.991,410 1.465,411 2.659,412 1.634,413 4.377,414 2.211,415 1.285,416 1.698,418 3.92,419 1.162,420 2.65,421 1.634,422 4.377,423 2.211,424 1.285,425 1.698,427 3.92,428 1.157,429 2.65,430 1.598,431 4.288,432 2.18,433 1.174,434 1.678,436 3.477,437 1.157,438 2.213,439 1.595,440 3.288,441 1.547,442 0.431,443 0.719,445 1.043,446 0.476,447 0.805,448 0.51,449 2.861,450 0.348,451 -0.644,452 -0.852,454 -1.986,455 -0.625,456 0.801,457 0.51,458 2.861,459 0.344,460 -0.644,461 -0.852,463 -1.986,464 -0.625,465 0.756,466 0.51,467 2.815,468 0.333,469 -0.661,470 -0.907,472 -2.059,473 -0.66,474 13.095,475 0.409,476 1.878,477 0.059,478 35,479 1.094,480 15,481 0.469,482 20,483 0.625,484 28.927,485 0.904,486 39.105,487 1.029,488 44.898,489 1.403,490 7.802,491 0.244,492 6.407,493 0.2,494 0.313,495 0.153,496 0.305,498 12,501 0.699,502 0.866,503 0.481,504 0.996,505 0.804,506 0.872,507 0.449,508 0.557,509 0.444,510 0.79,511 0.47,512 0.874,513 0.732,514 0.933,515 0.746,516 1.302,517 0.682,518 1.464,519 1.335,520 0.959,521 1.624,522 0.835,523 1.337,524 0.967,525 1.241,526 1.35,527 0.759,528 1.46,529 1.319,530 1.08,531 0.795,532 0.702,533 1.027,534 0.612,535 0.802,536 0.775,537 0.539,538 0.826,539 0.586,540 0.79,541 0.526,542 0.913,543 0.969,544 1.299,545 0.834,546 1.525,547 0.862,548 1.553,549 14,550 0.743,551 5.778,552 3.125,553 2.818,554 3.222,555 1.061,556 0.674,557 0.412,558 0.537,559 10645,560 78177,561 1.782,562 15.8,564 6,572 1.752,573 1.548,574 3.159,575 -0.558,582 63.833,583 1.68,584 2.721,585 2.866,586 3.011,587 3.011,588 3.011,589 2.358,590 2.656,591 4.978,592 3.419,593 1695.6,594 8.744,595 24518.7,600 199.421,601 1.85,602 4.801,603 0.424,604 0.021,605 0.107,606 0.058,607 0.054,608 0.054,609 0.017,610 0.017,611 0.011,612 0.016,613 0.779,614 0.67,615 0.63,616 1.053,617 164.808,618 0.012,619 0.021,621 0.028,622 -0.07,623 0.021,624 0.445,625 0.454,626 0.228,627 0.23,628 0.412,629 -0.026,630 0.016,631 -0.132,632 0.035,633 -0.333,634 0.062,635 -0.405,636 -0.419,637 -0.15,638 -0.339,639 0.098,640 -0.415,641 0.312,642 -0.398,643 -0.449,644 -0.095,645 -0.505,646 -0.438,647 -0.261,648 0.332,649 0.354,650 0.009,651 0.332,652 0.332,653 0.035,654 0.323,655 -0.037,656 0.386,657 0.131,658 0.369,659 0.126,660 -0.126,661 -0.381,662 0.016,663 -0.526,664 -0.043,665 -0.507,666 6.668,667 5.179,668 0.375,669 27.25,670 1.152,671 1.217,672 5.742,673 32.973,674 0.658,675 3.526,676 4.007,677 4.111,678 4.263,679 4.615,680 4.762,681 4.762,682 4.673,683 4.489,684 4.654,685 6.38,686 0.757,687 482.24,688 3.526,689 5.165,690 5.999,691 6.93,692 7.801,693 8.722,694 9.606,695 10.523,696 11.412,697 12.326,715 6,720 6,722 12,727 2,741 38,743 14,744 2,745 33,747 39,748 18,749 12,750 6,751 6,752 2,756 2,757 2,763 4,769 4,772 14,773 4,777 2,782 2,786 2,791 12,793 6,794 14,796 14,808 1,809 2,829 2,859 2,866 12,868 32,882 4,892 12,893 5.3,896 2,901 20.667,902 7.048,903 6.333,904 1.949,907 2.232,908 1.311,909 0.959,910 6.204,911 9.409,912 3.738,913 4.382,914 4.879,915 5.369,916 5.97,917 6.255,918 6.531,919 6.506,920 6.514,921 6.849,922 0.833,923 54,924 24.073,926 21.073,927 0.026,929 9.885,931 19.016,933 15.524,936 4.385,937 140.333,941 70.627,942 117.276,945 50.29,946 179.521,948 117.276,949 120.916,950 179.521,953 56.857,954 60.557,955 198.635,957 70.627,958 31.038,959 70.627,960 117.276,961 229.811,964 70.627,965 229.811,968 31.038,969 86.238,972 250.148,973 50.29,974 117.276,977 101.665,978 29.38,979 56.857,981 229.811,982 70.627,983 229.811,984 117.276,986 0.639,987 0.325,988 0.132,989 0.092,990 26,991 16,992 0.077,993 3,995 1,996 3.717,997 296.007,999 12,1000 84.98,1005 25.275,1006 7.855,1007 5.84,1009 229.811,1010 -1.455,1015 -11.092,1018 417.714,1019 41,1024 24.357,1028 -4.344,1031 43.759,1032 46.232,1034 0.32,1035 0.518,1036 0.546,1037 0.574,1038 0.574,1039 0.574,1040 5.094,1041 1.633,1042 6.176,1043 5.743,1044 4.691,1045 5.069,1046 4.387,1047 7.136,1048 4.513,1049 6.414,1050 1.285,1051 7.87,1052 4.991,1053 4.977,1054 5.308,1055 5.274,1056 8.663,1057 4.553,1058 7.808,1059 1.285,1060 9.676,1061 3.92,1062 6.597,1063 7.304,1064 6.803,1065 11.59,1066 6.221,1067 9.228,1068 1.174,1069 11.54,1070 3.92,1071 7.496,1072 8.155,1073 8.075,1074 13.729,1075 6.896,1076 10.669,1077 0.431,1078 13.436,1079 3.477,1080 8.813,1081 9.811,1082 9.444,1083 16.337,1084 8.21,1085 12.124,1086 -0.644,1087 15.351,1088 1.043,1089 9.906,1090 10.921,1091 10.775,1092 18.678,1093 9.133,1094 13.59,1095 -0.644,1096 17.279,1097 -1.986,1098 11.139,1099 12.441,1100 12.121,1101 21.188,1102 10.321,1103 3.414,1104 -0.661,1105 19.215,1106 -1.986,1107 12.299,1108 13.68,1109 13.461,1110 23.603,1111 11.352,1112 3.397,1113 11.999,1114 21.157,1115 -2.059,1116 13.507,1117 15.138,1118 14.803,1119 26.081,1120 12.495,1121 3.23,1122 11.972,1123 23.103,1124 4.16,1125 14.692,1126 16.449,1127 16.144,1128 28.524,1129 13.576,1130 3.23,1131 11.446,1132 25.052,1133 4.059,1134 15.895,1135 17.878,1136 17.486,1137 30.992,1138 14.705,1139 2.979,1140 11.446,1141 27.004,1142 3.562,1143 17.091,1144 19.229,1145 18.827,1146 33.449,1147 15.812,1148 2.43,1149 9.994,1150 28.958,1151 3.425,1152 18.294,1153 20.646,1154 20.169,1155 35.914,1156 16.94,1157 1.915,1158 7.742,1159 30.913,1160 3.425,1161 19.495,1162 22.021,1163 21.511,1164 38.377,1165 18.061,1166 11157,1167 30316,1168 18.493,1169 25.012,1170 54.559,1171 53.166,1172 54.96,1173 53.601,1174 52.807,1175 63.958,1176 30.602,1177 175.388,1178 47.787,1179 5.46,1180 6.483,1181 6.189,1182 5.315,1183 5.414,1184 7.16,1185 5.335,1186 19.388,1187 5.214,1188 27.373,1189 1.653,1190 1.611,1191 1.665,1192 1.624,1193 1.6,1194 1.938,1195 0.927,1196 5.315,1197 1.448,1198 4.036,1199 4.049,1200 4.016,1201 3.955,1202 8.526,1203 3.964,1204 3.936,1205 3.957,1206 3.917,1207 3.858,1208 8.51,1209 3.864,1210 3.515,1211 3.512,1212 3.527,1213 3.304,1214 8.509,1215 3.349,1216 3.431,1217 3.47,1218 3.475,1219 3.113,1220 8.509,1221 3.179,1222 3.431,1223 3.47,1224 3.475,1225 3.113,1226 7.999,1227 3.179,1228 3.184,1229 3.222,1230 3.201,1231 2.908,1232 7.999,1233 2.955,1234 2.973,1235 3.007,1236 2.981,1237 2.555,1238 7.999,1239 2.651,1240 2.694,1241 2.736,1242 2.644,1243 2.356,1244 7.999,1245 2.432,1246 0.14,1247 0.136,1248 0.218,1249 0.131,1250 0.103,1251 4.614,1252 0.126,1253 4.483,1254 0.116,1255 7.189,1256 0.364,1257 4.315,1258 0.097,1259 3.414,1260 4.16,1261 3.825,1262 11.999,1263 3.214,1264 1.968,1265 1.956,1266 2.027,1267 2.062,1268 1.171,1269 2.047,1270 1.899,1271 1.882,1272 1.968,1273 1.997,1274 1.121,1275 1.983,1276 1.354,1277 1.359,1278 1.387,1279 1.593,1280 0.412,1281 1.514,1282 1.179,1283 1.151,1284 1.224,1285 1.532,1286 0.308,1287 1.414,1288 1.179,1289 1.151,1290 1.224,1291 1.532,1292 0.308,1293 1.414,1294 0.983,1295 0.957,1296 1.101,1297 1.299,1298 0.189,1299 1.205,1300 0.66,1301 0.631,1302 0.791,1303 1.112,1305 0.993,1306 0.493,1307 0.437,1308 0.643,1309 0.862,1311 0.829,1312 4.205,1314 5.645,1316 7.235,1318 8.886,1320 10.572,1324 154.538,1334 -21.671,1340 28.77,1341 63.833,1342 103.382,1343 108.892,1344 114.402,1345 114.402,1346 114.402,1347 204.248,1348 7.176,1349 34.14,1350 34.14,1351 12,1352 12.843,1353 3.907,1354 3.17,1355 76.337,1356 124,1357 86,1358 0.308,1359 167.597,1360 342.74,1361 400.698,1362 10621,1363 31.6,1364 24.861,1365 0.777,1366 0.463,1367 14.861,1368 14.816,1369 14.208,1370 0.431,1371 0.239,1372 7.559,1373 12.897,1374 7.634,1375 6.095,1376 9.363,1377 7.89,1378 16.904,1379 0.313,1380 0.116,1381 9.073,1382 6.247,1383 10.703,1384 0.178,1385 0.065,1386 6.746,1387 3.906,1388 7.272,1389 0.104,1390 0.035,1391 5.736,1392 2.434,1393 6.702,1394 0.067,1395 0.017,1396 3.992,1397 1.741,1398 0.472,1399 95.405,1400 0.233,1401 29.073,1402 0.886,1403 174,1404 1386.8,1405 246.276,1406 998.71,1407 1203,1408 906,1409 201,1410 759.273,1411 247.667,1412 689.488,1413 1087.48,1414 640,1415 4}
{0 CHEMBL242661,1 1.372,2 24.957,3 6.559,4 43.024,5 193.321,6 6.206,7 0.25,8 4.661,9 4.799,10 4.05,11 4.142,12 5.632,13 4.086,14 5.236,15 5.454,16 4.312,17 4.504,18 6.111,19 4.411,20 5.493,21 5.746,22 4.395,23 4.665,24 6.349,25 4.537,26 5.592,27 5.863,28 4.318,29 4.713,30 6.382,31 4.545,32 5.646,33 5.938,34 4.278,35 4.731,36 6.413,37 4.542,38 5.615,39 5.896,40 4.22,41 4.701,42 6.37,43 4.511,44 5.577,45 5.866,46 4.172,47 4.638,48 6.319,49 4.447,50 5.524,51 5.81,52 4.14,53 4.553,54 6.284,55 4.381,56 0.108,57 1.393,58 24.903,59 9.894,60 16.189,61 14.169,62 0.389,63 2.181,64 44.218,65 15.123,66 39.287,67 22.725,68 0.583,69 2.644,70 56.562,71 19.418,72 65.444,73 29.311,74 0.619,75 2.817,76 61.736,77 21.746,78 66.18,79 32.753,80 0.645,81 2.873,82 64.364,83 23.419,84 82.735,85 34.994,86 0.673,87 2.762,88 62.786,89 22.755,90 68.96,91 33.671,92 0.573,93 2.645,94 60.341,95 21.575,96 62.678,97 32.086,98 0.621,99 2.441,100 57.828,101 19.442,102 63.73,103 29.105,104 53,105 60,106 0.201,107 0.476,108 0.674,109 0.751,110 0.775,111 0.791,112 3.852,113 1.069,114 -4.38,115 -4.31,116 -4.07,121 37.3,122 2,123 8,126 2,127 8,137 2,140 2,144 8,145 2,146 2,158 2,176 14,180 13,185 3,187 12,191 1,192 13,196 1,197 3,200 7,206 9,209 2,211 1,214 8,219 4,222 2,224 2,227 16,231 2,232 2,237 2,239 20,243 1,244 3,247 1,249 3,251 16,256 7,261 3,264 10,269 8,274 4,277 5,281 6216,282 31.584,283 31.584,284 31.584,285 31.584,286 31.584,287 29.356,288 43.84,289 19.437,290 32.357,291 23.464,292 23.464,293 23.464,294 23.464,295 23.464,296 19.967,297 56.001,298 9.014,299 24.434,300 5.3,301 3.422,302 2.069,303 1.542,304 1.378,305 1.265,306 4.538,312 1,313 2378,314 5.477,318 630.27,325 4.397,326 35.477,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 98,338 1148,339 4.381,340 3.581,341 6.25,342 3.974,343 2.988,344 3.846,345 0.916,346 9.366,347 2.947,348 4.05,349 3.016,350 5.741,351 3.681,352 2.714,353 3.64,354 0.916,355 7.734,356 2.63,357 4.05,358 3.016,359 5.605,360 3.681,361 2.714,362 3.64,363 0.86,364 7.734,365 2.63,366 3.773,367 2.889,368 5.605,369 3.393,370 2.432,371 3.014,372 0.86,373 7.583,374 2.34,375 3.591,376 2.792,377 5.298,378 3.36,379 2.431,380 2.815,381 0.6,382 6.796,383 2.253,384 3.591,385 2.792,386 5.298,387 3.359,388 2.421,389 2.815,390 0.4,391 6.796,392 2.252,393 3.266,394 2.437,395 4.921,396 2.99,397 2.032,398 2.385,399 0.172,400 5.717,401 1.94,402 3.239,403 2.323,404 4.921,405 2.989,406 2.031,407 2.311,408 0.172,409 5.717,410 1.939,411 3.238,412 2.322,413 4.559,414 2.812,415 1.826,416 2.31,418 4.72,419 1.792,420 2.858,421 1.952,422 3.929,423 2.788,424 1.807,425 1.851,427 3.72,428 1.766,429 2.776,430 1.777,431 3.826,432 2.654,433 1.665,434 1.773,436 3.59,437 1.639,438 2.573,439 1.651,440 3.664,441 2.355,442 1.389,443 1.5,445 2.989,446 1.337,447 2.5,448 1.327,449 3.419,450 2.222,451 1.239,452 1.5,454 2.605,455 1.216,456 2.5,457 1.242,458 3.414,459 2,460 1,461 1.5,463 2.275,464 1,465 2.297,466 1.155,467 3.414,468 2,469 1,470 1.276,472 2.275,473 1,474 21.933,475 0.477,476 0.724,477 0.016,478 47,479 1.022,480 19,481 0.413,482 28,483 0.609,484 53.853,485 1.171,486 53.667,487 0.526,488 38.119,489 0.829,490 9.146,491 0.199,492 13.302,493 0.289,494 0.122,496 0.219,501 0.882,502 1.51,503 1.003,504 1.322,505 0.758,506 1.196,507 1.181,508 1.17,509 1.07,510 1.061,511 0.68,512 1.042,513 0.94,514 1.1,515 1.003,516 1.041,517 0.756,518 1.023,519 0.817,520 1.097,521 1.041,522 1.087,523 0.815,524 1.086,525 0.629,526 0.963,527 0.927,528 0.995,529 0.798,530 0.993,531 0.869,532 1.005,533 1.039,534 1.042,535 1.157,536 1.062,537 0.822,538 0.993,539 1,540 1.045,541 1.088,542 1.043,543 1.205,544 0.957,545 1.015,546 0.946,547 1.218,548 0.958,549 8,550 0.198,551 3.556,552 2,553 2.089,554 0.931,555 0.73,556 0.51,557 0.304,558 0.242,559 51802,560 111928,561 1.995,562 54.9,563 8,564 32,567 2,569 14,572 1.823,573 1.89,574 4.537,575 0.04,582 139.954,583 1.372,584 3.25,585 4.604,586 5.13,587 5.295,588 5.408,589 4.002,590 4.056,591 5.492,592 4.776,593 4943.54,594 9.686,595 118096,600 680.587,601 1.264,602 5.465,603 0.167,604 0.005,605 0.059,606 0.032,607 0.037,608 0.017,609 0.015,610 0.011,611 0.007,612 0.006,613 0.355,614 0.17,615 0.75,616 0.81,617 287.57,618 -0.001,619 -0.192,620 0.044,621 -0.084,622 -0.009,623 -0.026,624 -0.106,625 -0.004,626 -0.028,627 0.001,628 0.045,629 -0.001,630 0.016,631 -0.022,632 0.005,633 -0.021,634 0.11,635 -0.01,636 0.012,637 -0.066,638 -0.061,639 -0.08,640 0.018,641 -0.079,642 0.07,643 0.015,644 0.025,645 -0.001,646 0.086,647 0.007,648 -0.009,649 -0.027,650 -0.069,651 -0.041,652 -0.101,653 -0.061,654 -0.001,655 -0.019,656 -0.035,657 -0.06,658 -0.081,659 -0.053,660 -0.091,661 -0.005,662 -0.018,663 0.014,664 -0.094,665 0.008,666 1.811,667 5.613,668 0.391,669 97.527,670 0.987,671 1.134,672 3.149,673 9.913,674 0.624,675 3.892,676 4.111,677 4.29,678 4.419,679 4.595,680 4.533,681 4.511,682 4.511,683 4.419,684 4.344,685 14.13,686 0.575,687 632.98,688 3.892,689 5.38,690 6.176,691 6.993,692 7.805,693 8.627,694 9.446,695 10.272,696 11.095,697 11.923,698 3.9,700 1,701 2,707 1,715 8,720 4,722 12,739 2,741 102,743 16,744 2,745 48,747 104,748 38,749 12,750 4,751 8,752 6,756 3,757 3,763 2,770 8,772 18,773 20,777 4,782 1,784 2,785 1,786 4,793 56,794 8,795 2,796 8,802 4,808 1,809 4,829 3,839 1,841 1,849 4,853 1,855 2,857 1,859 3,864 4,868 46,875 1,876 16,877 1,878 2,881 2,893 3.9,895 1,896 1,898 2,901 24.333,902 18.883,903 10.889,904 6.765,907 2.739,908 1.345,909 0.919,910 17.739,911 10.668,912 4.078,913 4.511,914 4.952,915 5.346,916 5.799,917 5.772,918 5.798,919 5.816,920 5.733,921 5.621,922 0.941,923 63,924 17.099,926 6.803,927 0.026,929 7.562,931 33.639,933 26.441,936 2.062,937 94.833,941 635.64,942 198.806,943 41.045,945 89.828,948 198.806,949 725.468,950 41.045,951 39.417,952 37.122,953 112.773,954 78.475,955 61.892,957 635.64,959 635.64,960 239.851,961 89.828,964 470.844,965 254.623,968 95.817,969 122.324,970 21.709,972 635.64,973 130.873,974 198.806,977 635.64,978 64.627,979 140.428,980 18.011,981 106.614,982 635.64,983 130.873,984 198.806,986 0.551,987 0.319,988 0.16,989 0.088,990 19,991 10,992 0.221,993 23,995 1,996 5.884,997 396.302,999 18,1000 244.084,1005 37.496,1006 21.762,1007 14.148,1009 130.873,1010 16.579,1015 4.375,1017 60.694,1018 965.318,1019 58,1024 12.613,1026 2.986,1027 4.481,1028 0.784,1031 100.69,1032 115.626,1034 0.206,1035 0.487,1036 0.69,1037 0.769,1038 0.794,1039 0.81,1040 5.278,1041 2.031,1042 6.098,1043 5.717,1044 4.796,1045 5.198,1046 2.08,1047 6.781,1048 4.723,1049 6.408,1050 1.826,1051 7.579,1052 5.717,1053 4.111,1054 4.745,1055 0.57,1056 7.434,1057 3.992,1058 7.66,1059 1.807,1060 9.156,1061 4.72,1062 6.271,1063 7.191,1064 1.689,1065 10.452,1066 6.133,1067 8.946,1068 1.665,1069 10.79,1070 3.72,1071 6.431,1072 7.575,1073 0.674,1074 11.92,1075 6.247,1076 10.266,1077 1.389,1078 12.461,1079 3.59,1080 7.982,1081 9.471,1082 1.417,1083 14.425,1084 7.789,1085 11.608,1086 1.239,1087 14.156,1088 2.989,1089 8.558,1090 10.253,1091 0.66,1092 16.25,1093 8.328,1094 12.968,1095 1,1096 15.87,1097 2.605,1098 9.839,1099 11.902,1100 1.203,1101 18.569,1102 9.602,1103 2.988,1104 1,1105 17.597,1106 2.275,1107 10.638,1108 12.901,1109 0.611,1110 20.574,1111 10.375,1112 2.714,1113 9.366,1114 19.334,1115 2.275,1116 11.792,1117 14.417,1118 1.023,1119 22.822,1120 11.522,1121 2.714,1122 7.734,1123 21.081,1124 3.846,1125 12.711,1126 15.543,1127 0.55,1128 24.924,1129 12.424,1130 2.432,1131 7.734,1132 22.834,1133 3.64,1134 13.808,1135 16.984,1136 0.869,1137 27.148,1138 13.513,1139 2.431,1140 7.583,1141 24.595,1142 3.64,1143 14.793,1144 18.185,1145 0.487,1146 29.303,1147 14.486,1148 2.421,1149 6.796,1150 26.361,1151 3.014,1152 15.866,1153 19.581,1154 0.735,1155 31.522,1156 15.552,1157 2.032,1158 6.796,1159 28.133,1160 2.815,1161 16.888,1162 20.829,1163 0.427,1164 33.709,1165 16.563,1166 50516,1167 74470,1168 31.781,1169 63.637,1170 67.524,1171 68.658,1172 69.824,1173 66.98,1174 66.992,1175 80.6,1176 9.795,1177 173.507,1178 64.487,1179 5.347,1180 5.581,1181 6.114,1182 5.006,1183 4.988,1184 6.846,1185 1.776,1186 16.052,1187 4.947,1188 25.178,1189 1.407,1190 1.43,1191 1.455,1192 1.395,1193 1.396,1194 1.679,1195 0.204,1196 3.615,1197 1.343,1198 3.99,1199 4.03,1200 3.918,1201 3.891,1202 7.428,1203 3.891,1204 3.923,1205 3.956,1206 3.859,1207 3.845,1208 6.469,1209 3.843,1210 3.906,1211 3.934,1212 3.856,1213 3.795,1214 4.882,1215 3.808,1216 3.759,1217 3.823,1218 3.613,1219 3.622,1220 4.853,1221 3.609,1222 3.746,1223 3.801,1224 3.609,1225 3.616,1226 4.618,1227 3.604,1228 3.614,1229 3.69,1230 3.472,1231 3.426,1232 4.411,1233 3.425,1234 3.579,1235 3.651,1236 3.423,1237 3.403,1238 4.404,1239 3.398,1240 3.403,1241 3.488,1242 3.24,1243 3.22,1244 4.348,1245 3.21,1246 0.091,1247 0.075,1248 0.13,1249 0.083,1250 0.062,1251 4.381,1252 0.08,1253 3.581,1254 0.019,1255 6.25,1256 0.195,1257 3.974,1258 0.061,1259 2.988,1260 3.846,1261 0.916,1262 9.366,1263 2.947,1264 1.914,1265 1.887,1266 2.055,1267 2.034,1268 1.381,1269 2.042,1270 1.914,1271 1.887,1272 2.053,1273 2.03,1274 1.378,1275 2.039,1276 1.856,1277 1.829,1278 2.007,1279 2.004,1280 1.214,1281 1.999,1282 1.769,1283 1.707,1284 1.996,1285 1.932,1286 1.21,1287 1.957,1288 1.741,1289 1.685,1290 1.907,1291 1.901,1292 1.082,1293 1.913,1294 1.596,1295 1.521,1296 1.856,1297 1.813,1298 1.065,1299 1.83,1300 1.572,1301 1.499,1302 1.83,1303 1.777,1304 0.984,1305 1.799,1306 1.408,1307 1.326,1308 1.719,1309 1.63,1310 0.951,1311 1.664,1312 4.575,1314 5.82,1316 7.248,1318 8.762,1320 10.324,1322 7.79,1327 10.49,1328 16.069,1329 3.236,1330 10.505,1333 4.924,1340 58.642,1341 139.954,1342 331.543,1343 469.594,1344 523.303,1345 540.058,1346 551.568,1347 131.899,1348 7.93,1349 86.63,1350 86.63,1351 18,1352 12.499,1353 4.087,1354 3.459,1355 110.935,1356 395,1357 372,1358 0.128,1359 366.987,1360 659.84,1361 887.209,1362 45134,1364 32.987,1365 0.717,1366 0.622,1367 32.987,1368 28.601,1369 22.448,1370 0.468,1371 0.356,1372 16.898,1373 21.637,1374 16.386,1375 13.771,1376 22.448,1377 17.112,1378 18.246,1379 0.304,1380 0.198,1381 18.246,1382 11.908,1383 14.909,1384 0.207,1385 0.118,1386 14.909,1387 8.483,1388 11.02,1389 0.134,1390 0.068,1391 11.02,1392 5.536,1393 8.773,1394 0.09,1395 0.039,1396 8.773,1397 3.8,1398 0.22,1399 140.205,1400 0.177,1401 42.747,1402 0.308,1403 216,1404 566.624,1405 233.569,1406 541.57,1407 729.65,1408 510,1409 240,1410 513.786,1411 258.072,1412 524.808,1413 752.1,1414 490,1415 7.292}
{0 CHEMBL242721,1 1.669,2 7.3,3 3.942,4 15.539,5 62.938,6 10.854,7 0.571,8 3.405,9 3.461,10 3.239,11 3.019,12 4.929,13 3.073,14 3.855,15 3.926,16 3.637,17 3.33,18 5.52,19 3.408,20 4.15,21 4.266,22 3.775,23 3.349,24 5.982,25 3.469,26 4.078,27 4.188,28 3.699,29 3.12,30 6.076,31 3.295,32 3.895,33 3.965,34 3.682,35 2.947,36 6.324,37 3.137,38 3.658,39 3.736,40 3.35,41 2.882,42 5.71,43 3,44 3.645,45 3.783,46 3.239,47 2.784,48 5.559,49 2.891,50 3.545,51 3.727,52 3.039,53 2.459,54 5.659,55 2.578,56 0.331,57 0.637,58 0.956,59 2.435,60 69,61 1.759,62 0.581,63 1.011,64 1.801,65 3.862,66 116.831,67 2.79,68 1.097,69 1.252,70 7.007,71 5.235,72 223.134,73 3.719,74 1.189,75 1.059,76 7.697,77 4.658,78 250.682,79 2.944,80 1.198,81 1.001,82 5.906,83 3.574,84 252.749,85 2.091,86 0.701,87 0.727,88 3.184,89 2.971,90 148.483,91 1.835,92 0.743,93 0.954,94 4.332,95 3.225,96 143.612,97 2.299,98 0.849,99 0.951,100 5.705,101 3.014,102 157.048,103 2.322,104 37,105 30,106 0.325,107 0.519,108 0.59,109 0.691,110 0.721,111 0.721,112 3.058,113 0.77,114 -5.16,115 -5.06,116 -4.73,121 53.8,144 6,145 2,146 4,159 2,176 4,180 2,187 4,191 1,192 4,200 5,206 4,214 2,219 4,227 3,232 2,239 4,251 3,264 2,277 1,281 460,282 12.776,283 12.776,284 12.776,285 12.776,286 12.776,287 10.997,288 8.258,289 7.29,290 12.955,291 10.269,292 10.269,293 10.269,294 10.269,295 10.269,296 7.559,297 4.289,298 3.426,299 10.615,300 3.031,301 2.039,302 1.673,303 1.154,304 1,305 1,306 3.705,311 1,312 1,313 298,314 3,318 137.262,325 1.1,326 60.229,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 48,338 146,339 4.51,340 3.872,341 6.728,342 4.173,343 3.161,344 4.129,346 10.756,347 3.199,348 4.242,349 3.255,350 6.255,351 3.818,352 2.848,353 3.904,355 9.218,356 2.753,357 3.74,358 3.01,359 5.374,360 3.309,361 2.332,362 3.141,364 6.496,365 2.255,366 3.454,367 2.791,368 4.934,369 3.019,370 2.095,371 2.774,373 5.703,374 1.917,375 3.322,376 2.703,377 4.892,378 2.879,379 1.955,380 2.583,382 5.423,383 1.771,384 2.958,385 2.63,386 4.468,387 2.515,388 1.531,389 2.099,391 4.125,392 1.485,393 2.591,394 1.404,395 3.945,396 2.093,397 1.077,398 1.596,400 2.88,401 1.091,402 2.239,403 1.404,404 3.295,405 1.61,406 0.541,407 0.838,409 1.264,410 0.565,411 1.363,412 0.848,413 2.557,414 0.954,415 0.083,416 0.1,418 0.179,419 0.069,420 1.357,421 0.847,422 2.368,423 0.914,429 0.695,430 0.01,431 2.365,432 0.228,433 -0.762,434 -0.968,436 -2.023,437 -0.69,438 0.686,439 -0.072,440 2.15,441 0.227,442 -0.773,443 -1.031,445 -2.023,446 -0.712,447 0.251,448 -0.311,449 1.827,450 -0.158,451 -1,452 -1.271,454 -2.562,455 -0.876,456 0.2,457 -0.667,458 1.453,459 -0.167,460 -1,461 -1.293,463 -2.579,464 -0.881,465 0.11,466 -0.923,467 1.324,468 -0.269,469 -1.349,470 -2,472 -3.691,473 -1.39,474 8.81,475 0.44,476 0.689,477 0.034,478 27,479 1.35,480 15,481 0.75,482 12,483 0.6,484 11.903,485 0.595,486 21.79,487 0.838,488 22.255,489 1.113,490 5.931,491 0.297,492 3.466,493 0.173,494 0.205,496 0.454,499 4,501 0.553,502 0.735,503 0.48,504 0.856,505 0.589,506 0.775,507 0.712,508 0.945,509 0.618,510 1.1,511 0.707,512 0.996,513 1.13,514 1.083,515 1.063,516 1.064,517 1.108,518 1.01,519 1.306,520 1.097,521 1.173,522 1.013,523 1.345,524 0.932,525 0.796,526 0.736,527 0.699,528 0.773,529 0.875,530 0.713,531 0.928,532 0.987,533 0.94,534 0.989,535 0.962,536 1.014,537 1.105,538 1.227,539 1.147,540 1.15,541 1.068,542 1.189,543 1.169,544 1.234,545 1.36,546 1.152,547 1.085,548 1.29,549 5,551 3.111,552 1.875,553 1.627,554 0.639,555 0.367,556 0.25,557 0.14,558 0.031,559 3169,560 16653,561 1.911,562 23.1,564 6,572 1.623,573 1.714,574 2.925,575 -0.689,582 43.399,583 1.669,584 2.661,585 3.027,586 3.547,587 3.7,588 3.7,589 2.246,590 2.922,591 4.298,592 3.027,593 575.065,594 7.367,595 5819.92,597 1,599 1,600 122.211,601 1.571,602 4.201,603 0.238,605 0.104,606 0.059,607 0.058,608 0.025,609 0.018,610 0.015,611 0.012,612 0.008,613 0.536,614 0.83,615 1,616 0.737,617 87.056,618 0.007,619 0.022,620 0.001,621 0.031,622 -0.025,623 0.025,624 -0.047,625 -0.14,626 -0.009,627 -0.202,628 -0.036,629 -0.16,630 -0.205,631 -0.142,632 -0.142,633 -0.112,634 -0.178,635 -0.063,636 -0.233,637 -0.116,638 -0.166,639 -0.054,640 -0.242,641 -0.011,642 0.339,643 0.22,644 0.231,645 0.168,646 0.327,647 0.092,648 -0.017,649 -0.134,650 -0.113,651 -0.068,652 -0.014,653 -0.157,654 -0.083,655 -0.14,656 -0.112,657 -0.159,658 -0.09,659 -0.187,660 0.07,661 0.062,662 -0.047,663 -0.094,664 0.064,665 -0.162,666 3.119,667 5.368,668 0.6,669 12.2,670 1.082,671 1.148,672 3.934,673 15.475,674 0.71,675 3.091,676 3.434,677 3.664,678 3.85,679 4.043,680 3.85,681 3.784,682 3.761,683 3.638,684 3.555,685 4.686,686 0.754,687 282.2,688 3.091,689 4.635,690 5.476,691 6.354,692 7.217,693 8.094,694 8.965,695 9.841,696 10.714,697 11.591,715 6,720 6,722 12,727 2,740 4,741 26,743 14,744 2,745 21,747 27,748 14,749 12,750 6,751 6,752 2,756 2,757 2,772 14,777 2,782 2,786 2,790 1,791 4,793 6,794 6,796 6,808 1,809 2,829 2,859 2,866 4,868 20,892 4,893 7.7,896 2,901 11.667,902 4.905,903 4.389,904 1.428,907 2.21,908 1.358,909 0.976,910 3.671,911 8.384,912 3.401,913 4.025,914 4.59,915 5.08,916 5.581,917 5.533,918 5.664,919 5.82,920 5.915,921 6.157,922 0.8,923 32,924 7.639,926 3.666,927 0.026,929 9.067,931 12.61,933 10.063,936 3.567,937 71.333,941 70.627,942 109.98,945 50.29,946 59.84,948 109.98,949 120.916,950 59.84,953 56.857,954 60.557,955 42.855,956 59.84,957 70.627,959 70.627,960 109.98,961 110.13,964 130.467,965 50.29,969 109.98,972 130.467,973 50.29,974 109.98,977 70.627,978 53.122,979 56.857,981 110.13,982 70.627,983 110.13,984 109.98,986 0.596,987 0.352,988 0.178,989 0.103,990 14,991 8,992 0.111,993 3,995 1,996 3.036,997 147.071,999 12,1000 66.439,1005 13.952,1006 5.262,1007 2.777,1009 110.13,1010 3.897,1015 -5.773,1018 290.737,1019 29,1024 23.473,1028 -2.905,1031 28.123,1032 29.854,1034 0.355,1035 0.566,1036 0.644,1037 0.755,1038 0.787,1039 0.787,1040 4.635,1041 0.541,1042 5.501,1043 2.88,1044 4.111,1045 4.71,1047 6.33,1048 4.057,1049 5.882,1050 0.083,1051 7.091,1052 1.264,1053 3.892,1054 4.663,1056 7.29,1057 3.789,1058 7.21,1060 8.778,1061 0.179,1062 5.733,1063 6.931,1065 10.386,1066 5.663,1067 8.571,1068 -0.762,1069 10.52,1071 6.256,1072 7.614,1074 12.127,1075 6.171,1076 9.958,1077 -0.773,1078 12.295,1079 -2.023,1080 7.644,1081 9.413,1083 14.782,1084 7.584,1085 11.365,1086 -1,1087 14.095,1088 -2.023,1089 8.497,1090 10.437,1092 16.858,1093 8.445,1094 12.788,1095 -1,1096 15.914,1097 -2.562,1098 9.72,1099 12.038,1101 19.343,1102 9.686,1103 3.161,1104 -1.349,1105 17.747,1106 -2.579,1107 10.724,1108 13.236,1110 21.571,1111 10.706,1112 2.848,1113 10.756,1114 19.592,1115 -3.691,1116 11.885,1117 14.742,1119 23.985,1120 11.883,1121 2.332,1122 9.218,1123 21.446,1124 4.129,1125 12.959,1126 16.032,1128 26.283,1129 12.975,1130 2.095,1131 6.496,1132 23.307,1133 3.904,1134 14.099,1135 17.489,1137 28.668,1138 14.131,1139 1.955,1140 5.703,1141 25.175,1142 3.141,1143 15.205,1144 18.83,1146 31,1147 15.255,1148 1.531,1149 5.423,1150 27.047,1151 2.774,1152 16.339,1153 20.261,1155 33.373,1156 16.407,1157 1.077,1158 4.125,1159 28.924,1160 2.583,1161 17.461,1162 21.63,1164 35.722,1165 17.546,1166 3291,1167 7618,1168 12.948,1169 18.466,1170 32.015,1171 35.208,1172 34.068,1173 31.44,1174 31.243,1175 42.323,1177 92.084,1178 30.208,1179 5.345,1180 5.872,1181 6.051,1182 5.173,1183 5.161,1184 7.129,1186 18.239,1187 5.199,1188 12.719,1189 1.525,1190 1.677,1191 1.622,1192 1.497,1193 1.488,1194 2.015,1196 4.385,1197 1.438,1198 3.995,1199 4.007,1200 3.974,1201 3.906,1202 8.21,1203 3.918,1204 3.875,1205 3.898,1206 3.844,1207 3.793,1208 8.203,1209 3.799,1210 3.405,1211 3.397,1212 3.383,1213 3.22,1214 8.196,1215 3.255,1216 2.962,1217 2.998,1218 2.971,1219 2.751,1220 8.196,1221 2.777,1222 2.939,1223 2.986,1224 2.925,1225 2.73,1226 7.496,1227 2.753,1228 2.871,1229 2.912,1230 2.768,1231 2.73,1232 7.352,1233 2.737,1234 2.582,1235 2.626,1236 2.469,1237 2.348,1238 4.472,1239 2.378,1240 2.28,1241 2.249,1242 2.241,1243 1.773,1244 4.44,1245 1.895,1246 0.215,1247 0.184,1248 0.32,1249 0.199,1250 0.151,1251 4.51,1252 0.197,1253 3.872,1255 6.728,1256 0.512,1257 4.173,1258 0.152,1259 3.161,1260 4.129,1262 10.756,1263 3.199,1264 1.927,1265 1.915,1266 1.988,1267 2.032,1268 1.08,1269 2.015,1270 1.842,1271 1.822,1272 1.923,1273 1.944,1274 1.011,1275 1.936,1276 1.286,1277 1.287,1278 1.365,1279 1.496,1280 0.356,1281 1.445,1282 0.867,1283 0.82,1284 1.119,1285 1.075,1286 0.181,1287 1.071,1288 0.833,1289 0.788,1290 1.031,1291 1.074,1292 0.045,1293 1.049,1294 0.801,1295 0.776,1296 0.896,1297 1.027,1299 0.987,1300 0.47,1301 0.439,1302 0.669,1303 0.77,1305 0.735,1308 0.282,1309 0.471,1311 0.344,1312 3.761,1314 5.094,1316 6.621,1318 8.237,1320 9.898,1324 52.642,1340 19.597,1341 43.399,1342 69.192,1343 78.702,1344 92.211,1345 96.211,1346 96.211,1347 82.318,1348 6.174,1349 34.14,1350 34.14,1351 12,1352 12.129,1353 3.907,1354 3.17,1355 36.194,1356 56,1357 46,1358 0.329,1359 119.643,1360 224.98,1361 283.688,1362 3037,1363 15.4,1364 14.861,1365 0.743,1366 0.49,1367 11.38,1368 9.792,1369 9.397,1370 0.447,1371 0.257,1372 5.261,1373 8.81,1374 5.227,1375 4.263,1376 7.788,1377 5.39,1378 8.837,1379 0.295,1380 0.13,1381 6.514,1382 3.907,1383 7.221,1384 0.19,1385 0.067,1386 5.616,1387 2.552,1388 5.398,1389 0.117,1390 0.035,1391 4.179,1392 1.588,1393 4.548,1394 0.081,1395 0.018,1396 3.131,1397 1.001,1398 0.494,1399 60.999,1400 0.278,1401 19.488,1402 0.968,1403 102,1404 625.916,1405 121.531,1406 492.57,1407 609.44,1408 450,1409 119,1410 398.606,1411 136.566,1412 377.574,1413 552.4,1414 354,1415 4}
{0 CHEMBL242722,1 1.669,2 7.409,3 4.353,4 18.949,5 63.371,6 12.238,7 0.522,8 3.439,9 3.482,10 3.35,11 3.013,12 5.066,13 3.107,14 3.898,15 3.953,16 3.784,17 3.321,18 5.67,19 3.457,20 4.219,21 4.309,22 4.024,23 3.335,24 6.337,25 3.545,26 4.155,27 4.236,28 3.975,29 3.105,30 6.474,31 3.381,32 3.961,33 4.008,34 3.849,35 2.935,36 6.536,37 3.201,38 3.713,39 3.77,40 3.555,41 2.87,42 5.948,43 3.069,44 3.728,45 3.834,46 3.526,47 2.766,48 5.89,49 2.99,50 3.661,51 3.796,52 3.485,53 2.436,54 6.21,55 2.719,56 0.599,57 0.882,58 0.152,59 2.516,60 121.849,61 1.363,62 1.022,63 1.398,64 0.3,65 3.992,66 205.517,67 2.162,68 1.767,69 1.863,70 4.599,71 5.414,72 353.455,73 2.919,74 1.758,75 1.55,76 5.247,77 4.809,78 361.612,79 2.346,80 1.454,81 1.138,82 3.505,83 3.676,84 308.14,85 1.494,86 0.986,87 0.973,88 1.608,89 3.056,90 207.401,91 1.464,92 1.148,93 1.364,94 2.51,95 3.351,96 224.118,97 1.658,98 1.282,99 1.469,100 3.733,101 3.15,102 237.252,103 1.748,104 65,105 34,106 0.325,107 0.519,108 0.665,109 0.856,110 0.916,111 0.916,112 3.148,113 0.731,114 -5.41,115 -5.29,116 -4.94,121 53.8,144 4,145 2,146 6,159 2,176 2,180 2,187 2,191 1,192 3,200 3,206 2,214 1,219 3,227 1,232 2,239 3,251 1,264 1,277 1,281 580,282 13.828,283 13.828,284 13.828,285 13.828,286 13.828,287 11.916,288 9.409,289 7.672,290 14.081,291 11.19,292 11.19,293 11.19,294 11.19,295 11.19,296 8.312,297 6.687,298 3.546,299 11.724,300 3.031,301 2.039,302 1.289,303 0.308,306 3.791,311 1,312 1,313 330,314 3.162,318 152.13,325 1.099,326 81.225,329 0.75,330 1,331 1,332 0.4,334 1,335 1,336 0.74,337 55,338 163,339 4.603,340 3.902,341 6.913,342 4.247,343 3.252,344 4.277,346 11.406,347 3.242,348 4.403,349 3.468,350 6.557,351 3.976,352 3.021,353 4.105,355 10.153,356 2.872,357 3.876,358 3.28,359 5.834,360 3.474,361 2.497,362 3.273,364 7.63,365 2.402,366 3.508,367 2.89,368 5.442,369 3.083,370 2.155,371 2.833,373 6.486,374 1.974,375 3.424,376 2.75,377 4.971,378 2.98,379 2.072,380 2.731,382 5.735,383 1.852,384 3.195,385 2.696,386 4.91,387 2.76,388 1.795,389 2.425,391 5.083,392 1.704,393 2.854,394 2.177,395 4.419,396 2.382,397 1.414,398 1.958,400 3.873,401 1.349,402 2.352,403 2.135,404 3.694,405 1.769,406 0.759,407 1.049,409 1.865,410 0.733,411 1.537,412 1.28,413 2.949,414 1.124,415 0.246,416 0.301,418 0.577,419 0.208,420 1.459,421 0.925,422 2.721,423 1.057,424 0.209,425 0.25,427 0.442,428 0.172,429 1.169,430 0.825,431 2.695,432 0.731,433 -0.227,434 -0.3,436 -0.547,437 -0.207,438 0.914,439 0.245,440 2.48,441 0.46,442 -0.472,443 -0.597,445 -1.188,446 -0.409,447 0.404,448 -0.097,449 2,450 0.039,451 -0.821,452 -1.004,454 -2.024,455 -0.702,456 0.245,457 -0.308,458 1.548,459 -0.152,460 -1,461 -1.205,463 -2.417,464 -0.826,465 0.146,466 -0.376,467 1.517,468 -0.252,469 -1.313,470 -1.639,472 -3.33,473 -1.151,474 9.381,475 0.426,476 0.851,477 0.039,478 28.5,479 1.295,480 15,481 0.682,482 13.5,483 0.614,484 14.556,485 0.662,486 24.819,487 0.955,488 26.199,489 1.191,490 6.383,491 0.29,492 3.852,493 0.175,494 0.254,496 0.533,499 6,501 0.626,502 0.752,503 0.464,504 0.855,505 0.655,506 0.767,507 0.804,508 0.967,509 0.596,510 1.1,511 0.808,512 0.986,513 1.084,514 1.045,515 1.013,516 1.063,517 1.083,518 0.993,519 1.167,520 1.053,521 1.067,522 1.012,523 1.196,524 0.89,525 0.853,526 0.817,527 0.824,528 0.771,529 0.892,530 0.732,531 0.93,532 1.03,533 0.86,534 0.993,535 0.944,536 0.971,537 1.195,538 1.259,539 1.165,540 1.159,541 1.184,542 1.146,543 0.99,544 1.137,545 1.069,546 1.153,547 0.926,548 1.252,549 5.5,551 3.778,552 2.625,553 2.009,554 0.75,555 0.449,556 0.398,557 0.206,558 0.047,559 3907,560 24199,561 1.869,562 15.4,564 4,572 1.652,573 1.65,574 2.923,575 -0.627,582 43.399,583 1.669,584 2.661,585 3.412,586 4.393,587 4.7,588 4.7,589 2.22,590 3.732,591 4.438,592 3.053,593 705.161,594 7.654,595 7607.89,597 1,599 1,600 122.211,601 1.495,602 4.316,603 0.239,605 0.111,606 0.067,607 0.057,608 0.025,609 0.019,610 0.018,611 0.011,612 0.008,613 0.556,614 0.67,615 1,616 0.733,617 98.74,618 0.013,619 0.023,621 0.031,622 -0.01,623 0.024,624 -0.084,625 -0.149,627 -0.202,628 -0.08,629 -0.156,630 -0.152,631 -0.101,632 -0.091,633 -0.112,634 -0.146,635 -0.045,636 -0.141,637 -0.076,638 -0.092,639 -0.053,640 -0.144,641 0.013,642 0.178,643 0.128,644 0.004,645 0.168,646 0.192,647 0.022,648 -0.047,649 -0.179,650 -0.053,651 -0.076,652 -0.03,653 -0.111,654 -0.156,655 -0.171,656 -0.148,657 -0.163,658 -0.178,659 -0.177,660 0.27,661 0.159,662 0.238,663 -0.085,664 0.259,665 -0.181,666 3.64,667 5.418,668 0.545,669 13.421,670 1.121,671 1.174,672 4.177,673 17.447,674 0.705,675 3.178,676 3.555,677 3.829,678 4.025,679 4.174,680 4.06,681 3.989,682 3.989,683 3.85,684 3.829,685 4.835,686 0.783,687 318.18,688 3.178,689 4.745,690 5.609,691 6.506,692 7.387,693 8.283,694 9.17,695 10.065,696 10.954,697 11.85,715 4,720 8,722 12,727 2,740 6,741 26,743 14,744 2,745 23,747 27,748 14,749 12,750 8,751 4,752 2,756 2,757 2,772 14,777 2,782 2,786 2,790 1,791 6,793 4,794 8,796 8,808 1,809 2,829 2,859 2,866 6,868 22,892 6,893 7.7,896 2,901 13.333,902 5.024,903 4.806,904 1.409,907 2.246,908 1.352,909 0.977,910 4.055,911 8.629,912 3.466,913 4.127,914 4.718,915 5.223,916 5.693,917 5.736,918 5.835,919 6.004,920 6.096,921 6.373,922 0.8,923 39,924 8.672,926 4.527,927 0.026,929 9.439,931 13.452,933 10.815,936 3.939,937 86.667,941 47.084,942 109.269,945 50.29,946 89.761,948 109.269,949 97.374,950 89.761,953 37.905,954 60.557,955 61.097,956 89.761,957 47.084,959 47.084,960 109.269,961 140.051,964 136.845,965 50.29,969 109.269,972 136.845,973 50.29,974 109.269,977 47.084,978 71.364,979 37.905,981 140.051,982 47.084,983 140.051,984 109.269,986 0.607,987 0.374,988 0.188,989 0.098,990 16,991 10,992 0.111,993 3,995 1,996 3.103,997 172.522,999 12,1000 96.107,1005 15.785,1006 5.652,1007 2.763,1009 140.051,1010 1.045,1015 -13.1,1018 296.404,1019 31,1024 23.414,1028 -3.891,1031 29.149,1032 30.533,1034 0.355,1035 0.566,1036 0.726,1037 0.935,1038 1,1039 1,1040 4.727,1041 0.759,1042 5.659,1043 3.873,1044 4.234,1045 4.812,1047 6.538,1048 4.149,1049 5.998,1050 0.246,1051 7.287,1052 1.865,1053 4.111,1054 4.89,1056 7.591,1057 3.963,1058 7.349,1059 0.209,1060 9.011,1061 0.577,1062 5.911,1063 7.085,1065 10.72,1066 5.783,1067 8.734,1068 -0.227,1069 10.787,1070 0.442,1071 6.524,1072 7.889,1074 12.536,1075 6.352,1076 10.145,1077 -0.472,1078 12.595,1079 -0.547,1080 7.889,1081 9.639,1083 15.229,1084 7.735,1085 11.575,1086 -0.821,1087 14.424,1088 -1.188,1089 8.813,1090 10.767,1092 17.374,1093 8.635,1094 13.021,1095 -1,1096 16.271,1097 -2.024,1098 10.035,1099 12.346,1101 19.902,1102 9.865,1103 3.252,1104 -1.313,1105 18.131,1106 -2.417,1107 11.092,1108 13.63,1110 22.194,1111 10.91,1112 3.021,1113 11.406,1114 20.001,1115 -3.33,1116 12.266,1117 15.135,1119 24.656,1120 12.087,1121 2.497,1122 10.153,1123 21.88,1124 4.277,1125 13.381,1126 16.495,1128 27.015,1129 13.195,1130 2.155,1131 7.63,1132 23.765,1133 4.105,1134 14.541,1135 17.965,1137 29.449,1138 14.356,1139 2.072,1140 6.486,1141 25.657,1142 3.273,1143 15.681,1144 19.364,1146 31.84,1147 15.492,1148 1.795,1149 5.735,1150 27.554,1151 2.833,1152 16.839,1153 20.818,1155 34.265,1156 16.651,1157 1.414,1158 5.083,1159 29.454,1160 2.731,1161 17.991,1162 22.237,1164 36.672,1165 17.801,1166 4088,1167 10247,1168 13.759,1169 18.341,1170 35.463,1171 39.397,1172 38.176,1173 34.919,1174 34.843,1175 46.405,1177 106.497,1178 33.016,1179 5.444,1180 5.902,1181 6.227,1182 5.247,1183 5.252,1184 7.277,1186 19.086,1187 5.242,1188 15.617,1189 1.542,1190 1.713,1191 1.66,1192 1.518,1193 1.515,1194 2.018,1196 4.63,1197 1.435,1198 4.005,1199 4.014,1200 3.997,1201 3.905,1202 8.246,1203 3.923,1204 3.888,1205 3.907,1206 3.876,1207 3.792,1208 8.238,1209 3.806,1210 3.41,1211 3.401,1212 3.397,1213 3.219,1214 8.2,1215 3.258,1216 2.976,1217 3.013,1218 2.994,1219 2.749,1220 8.198,1221 2.778,1222 2.97,1223 3.01,1224 2.982,1225 2.727,1226 8.16,1227 2.77,1228 2.906,1229 2.935,1230 2.857,1231 2.727,1232 8.16,1233 2.759,1234 2.613,1235 2.647,1236 2.577,1237 2.346,1238 7.496,1239 2.389,1240 2.294,1241 2.258,1242 2.293,1243 1.772,1244 7.352,1245 1.901,1246 0.2,1247 0.17,1248 0.301,1249 0.185,1250 0.141,1251 4.603,1252 0.186,1253 3.902,1255 6.913,1256 0.496,1257 4.247,1258 0.141,1259 3.252,1260 4.277,1262 11.406,1263 3.242,1264 1.919,1265 1.911,1266 1.959,1267 2.033,1268 1.066,1269 2.006,1270 1.832,1271 1.816,1272 1.889,1273 1.946,1274 0.991,1275 1.925,1276 1.281,1277 1.284,1278 1.346,1279 1.497,1280 0.33,1281 1.44,1282 0.837,1283 0.806,1284 1.02,1285 1.08,1286 0.093,1287 1.028,1288 0.801,1289 0.769,1290 0.904,1291 1.08,1293 1.01,1294 0.793,1295 0.766,1296 0.867,1297 1.03,1299 0.986,1300 0.458,1301 0.432,1302 0.611,1303 0.774,1305 0.721,1308 0.152,1309 0.473,1311 0.328,1312 3.85,1314 5.209,1316 6.767,1318 8.418,1320 10.115,1324 79.199,1340 20.363,1341 43.399,1342 69.192,1343 88.702,1344 114.211,1345 122.211,1346 122.211,1347 105.689,1348 6.384,1349 34.14,1350 34.14,1351 12,1352 12.376,1353 3.907,1354 3.17,1355 41.915,1356 64,1357 50,1358 0.335,1359 122.039,1360 237.12,1361 289.535,1362 3903,1363 23.1,1364 16.602,1365 0.755,1366 0.472,1367 11.38,1368 10.394,1369 10.235,1370 0.445,1371 0.244,1372 5.428,1373 9.448,1374 5.436,1375 4.395,1376 7.788,1377 5.608,1378 9.763,1379 0.287,1380 0.121,1381 6.514,1382 4.126,1383 8.373,1384 0.186,1385 0.06,1386 5.616,1387 2.715,1388 6.356,1389 0.116,1390 0.031,1391 4.179,1392 1.692,1393 4.752,1394 0.074,1395 0.016,1396 3.131,1397 1.013,1398 0.501,1399 67.761,1400 0.27,1401 21.031,1402 0.995,1403 114,1404 814.138,1405 141.192,1406 616.739,1407 754.18,1408 562,1409 136,1410 488.273,1411 162.974,1412 454.156,1413 672.36,1414 425,1415 4}
{0 CHEMBL242768,1 1.574,2 7.111,3 3.135,4 9.825,5 63.029,6 8.866,7 0.632,8 3.443,9 3.522,10 3.122,11 3.051,12 4.794,13 3.058,14 3.897,15 3.997,16 3.477,17 3.384,18 5.302,19 3.389,20 4.194,21 4.346,22 3.628,23 3.435,24 5.763,25 3.458,26 4.191,27 4.344,28 3.555,29 3.26,30 5.973,31 3.315,32 4.063,33 4.222,34 3.363,35 3.125,36 5.845,37 3.165,38 3.847,39 4.023,40 3.092,41 3.022,42 5.297,43 3.017,44 3.707,45 3.905,46 2.976,47 2.856,48 5.401,49 2.834,50 3.434,51 3.683,52 2.293,53 2.499,54 4.73,55 2.399,56 0.125,57 0.473,58 3.711,59 2.744,60 27.153,61 2.67,62 0.211,63 0.752,64 6.382,65 4.365,66 43.761,67 4.319,68 0.495,69 0.989,70 12.065,71 5.801,72 99.803,73 5.924,74 0.788,75 0.962,76 13.476,77 5.471,78 154.772,79 4.883,80 0.77,81 0.765,82 12.737,83 4.72,84 149.334,85 4.243,86 0.392,87 0.652,88 9.728,89 4.038,90 75.279,91 4.05,92 0.47,93 0.786,94 8.733,95 3.662,96 83.552,97 3.775,98 0.28,99 0.48,100 7.46,101 2.899,102 48.835,103 3.25,104 17,105 26,106 0.305,107 0.571,108 0.681,109 0.847,110 0.916,111 0.93,112 2.961,113 0.84,114 -4.72,115 -4.64,116 -4.36,121 50,129 1,144 8,145 2,146 2,159 1,176 8,180 1,185 1,187 8,192 2,195 1,197 2,200 5,206 3,211 3,214 2,219 3,224 3,227 5,232 1,237 1,239 6,251 6,264 4,277 1,281 344,282 11.88,283 11.88,284 11.88,285 11.88,286 11.88,287 10.23,288 8.279,289 7.012,290 11.984,291 9.303,292 9.303,293 9.303,294 9.303,295 9.303,296 6.906,297 7.135,298 3.262,299 9.52,300 3.233,301 1.857,302 1.286,303 0.429,304 0.071,306 3.609,311 1,312 1,313 264,314 2.828,318 121.571,325 1.012,326 38.909,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 41,338 128,339 4.431,340 3.868,341 6.717,342 4.131,343 3.14,344 3.991,345 1.848,346 10.694,347 3.107,348 4.163,349 3.193,350 6.223,351 3.752,352 2.783,353 3.782,354 0.443,355 9.057,356 2.689,357 3.515,358 2.894,359 5.311,360 3.125,361 2.158,362 2.787,364 6.111,365 2.071,366 2.94,367 2.302,368 4.451,369 2.523,370 1.538,371 2.111,373 4.061,374 1.511,375 2.862,376 1.663,377 3.913,378 2.382,379 1.414,380 2.017,382 3.099,383 1.354,384 2.85,385 1.593,386 3.618,387 2.379,388 1.414,389 1.987,391 2.989,392 1.346,393 2.56,394 1.315,395 3.579,396 2.079,397 1.076,398 1.552,400 2.664,401 1.075,402 1.945,403 1.132,404 3.169,405 1.511,406 0.519,407 0.687,409 1.174,410 0.503,411 1.092,412 0.4,413 2.32,414 0.663,415 -0.249,416 -0.303,418 -0.537,419 -0.215,420 1,421 0.358,422 2,423 0.594,424 -0.316,425 -0.398,427 -0.667,428 -0.277,429 0.631,430 -0.28,431 2,432 0.153,433 -0.848,434 -1.141,436 -2.015,437 -0.821,438 0.591,439 -0.594,440 1.794,441 0.129,442 -0.851,443 -1.22,445 -2.015,446 -0.849,447 -0.037,448 -0.823,449 1.577,450 -0.351,451 -1.347,452 -1.681,454 -3.459,455 -1.273,456 -0.107,457 -1.148,458 1.382,459 -0.519,460 -1.414,461 -1.889,463 -3.459,464 -1.277,465 -0.12,466 -1.155,467 1.22,468 -0.522,469 -1.414,470 -1.891,472 -3.502,473 -1.329,474 8.238,475 0.458,476 0.477,477 0.026,478 24,479 1.333,480 13.5,481 0.75,482 10.5,483 0.583,484 10.78,485 0.599,486 19.362,487 0.691,488 17.66,489 0.981,490 5.208,491 0.289,492 3.401,493 0.189,494 0.15,496 0.364,499 2,501 0.599,502 0.761,503 0.632,504 0.862,505 0.63,506 0.808,507 0.687,508 0.978,509 0.768,510 1.129,511 0.706,512 1.05,513 0.93,514 1.105,515 0.842,516 1.103,517 0.942,518 0.992,519 1.317,520 1.154,521 1.133,522 1.07,523 1.321,524 1.02,525 1.302,526 0.885,527 1.163,528 0.842,529 1.304,530 0.893,531 1.123,532 0.957,533 1.061,534 0.918,535 1.126,536 0.953,537 0.99,538 1.152,539 1.067,540 1.035,541 0.947,542 1.075,543 1.123,544 1.178,545 1.352,546 1.093,547 1.078,548 1.238,549 3,551 2.667,552 1.75,553 1.084,554 0.528,555 0.286,556 0.094,557 0.073,559 2447,560 9504,561 1.963,562 35.7,564 9,567 1,572 1.591,573 1.8,574 2.859,575 -0.28,577 1,579 1,582 44.084,583 1.574,584 2.95,585 3.522,586 4.379,587 4.736,588 4.807,589 2.197,590 2.948,591 4.147,592 2.933,593 448.759,594 7.056,595 4198.48,597 1,599 1,600 134.606,601 1.53,602 4.076,603 0.158,605 0.103,606 0.063,607 0.045,608 0.026,609 0.018,610 0.007,611 0.012,613 0.432,614 0.83,615 1,616 0.714,617 75.147,618 -0.045,619 0.049,620 -0.019,621 0.095,622 -0.083,623 0.066,624 -0.042,625 -0.137,626 -0.075,627 -0.178,628 -0.062,629 -0.16,630 -0.011,631 -0.174,632 0.075,633 -0.148,634 -0.006,635 -0.049,636 -0.037,637 -0.046,638 -0.103,639 -0.116,640 -0.023,641 -0.128,642 -0.046,643 0.1,644 -0.11,645 0.103,646 -0.029,647 0.017,648 -0.178,649 -0.103,650 -0.074,651 0.034,652 -0.174,653 0.025,654 0.105,655 0.058,656 -0.017,657 -0.038,658 0.11,659 -0.081,660 -0.141,661 -0.029,662 -0.229,663 -0.088,664 -0.142,665 -0.153,666 3.039,667 5.411,668 0.667,669 10.123,670 1.035,671 1.128,672 3.494,673 12.207,674 0.691,675 2.996,676 3.296,677 3.555,678 3.714,679 3.807,680 3.611,681 3.584,682 3.497,683 3.367,684 3.219,685 4.381,686 0.691,687 248.24,688 2.996,689 4.511,690 5.352,691 6.213,692 7.069,693 7.934,694 8.796,695 9.662,696 10.526,697 11.393,715 8,720 4,722 12,727 1,740 2,741 28,743 13,744 2,745 19,747 29,748 14,749 12,750 4,751 8,752 1,756 2,757 2,770 1,772 13,773 1,777 1,782 1,786 1,790 1,791 2,793 10,794 4,795 1,796 4,808 1,809 2,811 1,829 2,857 1,859 2,866 2,868 18,875 1,880 1,892 2,893 7.1,894 1,896 1,901 10,902 4.902,903 4.056,904 1.534,907 2.164,908 1.364,909 0.922,910 3.495,911 8.104,912 3.296,913 3.871,914 4.425,915 4.896,916 5.325,917 5.205,918 5.39,919 5.548,920 5.694,921 5.901,922 0.8,923 28,924 6.779,926 3.077,927 0.026,929 8.537,931 11.889,933 9.527,936 3.037,937 54.667,941 105.94,942 105.557,945 67.828,946 29.92,948 105.557,949 173.768,950 29.92,953 118.493,954 30.278,955 24.613,956 29.92,957 105.94,959 105.94,960 105.557,961 97.748,964 135.86,965 25.145,966 42.683,969 105.557,972 135.86,973 67.828,974 105.557,977 105.94,978 29.747,979 75.81,981 97.748,982 105.94,983 97.748,984 105.557,986 0.581,987 0.356,988 0.184,989 0.088,990 12,991 6,992 0.103,993 3,995 1,996 2.928,997 124.99,999 12,1000 75.059,1005 12.406,1006 5.071,1007 2.468,1009 97.748,1010 10.635,1015 -1.855,1017 42.683,1018 309.245,1019 26,1024 11.861,1028 -0.863,1031 28.982,1032 31.589,1034 0.328,1035 0.614,1036 0.733,1037 0.911,1038 0.985,1039 1,1040 4.5,1041 0.519,1042 5.342,1043 2.664,1044 3.97,1045 4.554,1046 2.019,1047 6.159,1048 3.924,1049 5.709,1050 -0.249,1051 6.921,1052 1.174,1053 3.611,1054 4.29,1055 1.22,1056 7.13,1057 3.509,1058 7.01,1059 -0.316,1060 8.609,1061 -0.537,1062 5.565,1063 6.714,1064 2.917,1065 10.251,1066 5.486,1067 8.351,1068 -0.848,1069 10.361,1070 -0.667,1071 6.043,1072 7.256,1073 2.638,1074 12.037,1075 5.917,1076 9.725,1077 -0.851,1078 12.152,1079 -2.015,1080 7.485,1081 9.156,1082 3.984,1083 14.685,1084 7.377,1085 11.122,1086 -1.347,1087 13.969,1088 -2.015,1089 8.33,1090 10.081,1091 4.007,1092 16.783,1093 8.188,1094 12.537,1095 -1.414,1096 15.804,1097 -3.459,1098 9.575,1099 11.739,1100 5.117,1101 19.26,1102 9.441,1103 3.14,1104 -1.414,1105 17.651,1106 -3.459,1107 10.578,1108 12.86,1109 5.332,1110 21.493,1111 10.42,1112 2.783,1113 10.694,1114 19.508,1115 -3.502,1116 11.748,1117 14.392,1118 6.282,1119 23.902,1120 11.59,1121 2.158,1122 9.057,1123 21.371,1124 3.991,1125 12.82,1126 15.619,1127 6.624,1128 26.198,1129 12.646,1130 1.538,1131 6.111,1132 23.24,1133 3.782,1134 13.962,1135 17.082,1136 7.467,1137 28.578,1138 13.784,1139 1.414,1140 4.061,1141 25.113,1142 2.787,1143 15.066,1144 18.368,1145 7.895,1146 30.906,1147 14.875,1148 1.414,1149 3.099,1150 26.99,1151 2.111,1152 16.199,1153 19.791,1154 8.665,1155 33.276,1156 16.002,1157 1.076,1158 2.989,1159 28.869,1160 2.017,1161 17.317,1162 21.113,1163 9.152,1164 35.621,1165 17.11,1166 2523,1167 5041,1168 12.137,1169 19.352,1170 28.635,1171 29.487,1172 30.174,1173 28.268,1174 28.085,1175 37.828,1176 4.582,1177 79.699,1178 27.311,1179 5.263,1180 5.868,1181 6.402,1182 5.131,1183 5.14,1184 6.991,1185 3.376,1186 18.166,1187 5.107,1188 9.434,1189 1.507,1190 1.552,1191 1.588,1192 1.488,1193 1.478,1194 1.991,1195 0.241,1196 4.195,1197 1.437,1198 3.986,1199 4.004,1200 3.945,1201 3.907,1202 8.203,1203 3.912,1204 3.862,1205 3.889,1206 3.812,1207 3.794,1208 8.199,1209 3.793,1210 3.396,1211 3.411,1212 3.323,1213 3.225,1214 7.428,1215 3.243,1216 2.917,1217 2.964,1218 2.85,1219 2.754,1220 6.443,1221 2.759,1222 2.899,1223 2.957,1224 2.822,1225 2.733,1226 4.638,1227 2.735,1228 2.877,1229 2.925,1230 2.757,1231 2.733,1232 4.608,1233 2.73,1234 2.607,1235 2.663,1236 2.471,1237 2.363,1238 3.656,1239 2.384,1240 2.409,1241 2.423,1242 2.283,1243 1.881,1244 3.597,1245 1.978,1246 0.233,1247 0.204,1248 0.354,1249 0.217,1250 0.165,1251 4.431,1252 0.21,1253 3.868,1254 0.097,1255 6.717,1256 0.563,1257 4.131,1258 0.164,1259 3.14,1260 3.991,1261 1.848,1262 10.694,1263 3.107,1264 1.938,1265 1.921,1266 2.029,1267 2.036,1268 1.149,1269 2.032,1270 1.853,1271 1.828,1272 1.962,1273 1.943,1274 1.033,1275 1.949,1276 1.323,1277 1.304,1278 1.48,1279 1.536,1280 0.589,1281 1.514,1282 0.874,1283 0.825,1284 1.14,1285 1.069,1286 0.194,1287 1.086,1288 0.86,1289 0.804,1290 1.118,1291 1.068,1292 0.157,1293 1.079,1294 0.842,1295 0.8,1296 1.015,1297 1.059,1298 0.087,1299 1.041,1300 0.518,1301 0.468,1302 0.803,1303 0.837,1305 0.823,1306 0.137,1307 0.112,1308 0.513,1309 0.664,1311 0.598,1312 3.664,1314 4.963,1316 6.479,1318 8.085,1320 9.734,1324 26.802,1327 9.792,1332 -1.705,1340 19.357,1341 44.084,1342 82.606,1343 98.606,1344 122.606,1345 132.606,1346 134.606,1347 52.157,1348 5.94,1349 37.3,1350 37.3,1351 12,1352 11.939,1353 3.807,1354 3,1355 30.816,1356 47,1357 38,1358 0.335,1359 120.174,1360 215.48,1361 284.983,1362 2279,1363 7.1,1364 13.121,1365 0.729,1366 0.517,1367 11.38,1368 9.308,1369 8.609,1370 0.453,1371 0.28,1372 5.24,1373 8.259,1374 5.171,1375 4.26,1376 7.788,1377 5.322,1378 7.569,1379 0.291,1380 0.145,1381 6.514,1382 3.768,1383 6.536,1384 0.192,1385 0.076,1386 5.616,1387 2.587,1388 5.032,1389 0.126,1390 0.041,1391 4.179,1392 1.646,1393 3.588,1394 0.082,1395 0.023,1396 3.131,1397 1.011,1398 0.5,1399 54.541,1400 0.287,1401 17.775,1402 0.99,1403 90,1404 416.107,1405 101.869,1406 347.801,1407 441.08,1408 320,1409 105,1410 293.576,1411 116.746,1412 285.665,1413 419.02,1414 269,1415 4}
{0 CHEMBL242836,1 1.354,2 22.917,3 7.314,4 53.499,5 202.158,6 6.121,7 0.24,8 4.714,9 4.854,10 4.09,11 4.197,12 5.677,13 4.136,14 5.294,15 5.514,16 4.372,17 4.564,18 6.155,19 4.47,20 5.565,21 5.817,22 4.484,23 4.743,24 6.413,25 4.619,26 5.7,27 5.964,28 4.45,29 4.823,30 6.491,31 4.661,32 5.782,33 6.07,34 4.442,35 4.872,36 6.542,37 4.69,38 5.787,39 6.066,40 4.424,41 4.872,42 6.55,43 4.695,44 5.783,45 6.061,46 4.309,47 4.844,48 6.54,49 4.647,50 5.737,51 6.039,52 4.153,53 4.751,54 6.435,55 4.523,56 0.12,57 1.469,58 26.549,59 10.584,60 18.922,61 15.177,62 0.393,63 2.316,64 46.963,65 16.211,66 41.276,67 24.392,68 0.619,69 2.862,70 60.959,71 20.69,72 67.837,73 31.417,74 0.803,75 3.114,76 68.996,77 24.351,78 74.82,79 36.338,80 0.721,81 3.293,82 73.606,83 26.76,84 91.037,85 39.869,86 0.707,87 3.276,88 74.615,89 26.576,90 81.356,91 39.354,92 0.828,93 3.196,94 74.399,95 26.72,96 86.418,97 39.036,98 0.584,99 2.99,100 69.599,101 25.45,102 73.764,103 37.887,104 81,105 64,106 0.196,107 0.471,108 0.677,109 0.746,110 0.774,111 0.79,112 3.894,113 1.074,114 -4.72,115 -4.64,116 -4.36,121 37,122 4,123 8,126 2,127 6,129 2,137 2,140 2,144 8,145 2,146 2,158 2,176 14,180 15,185 3,187 14,191 1,192 11,196 1,197 3,200 7,205 2,206 9,209 2,211 1,214 12,219 6,222 2,224 2,227 16,232 8,237 2,239 24,243 1,244 5,247 1,249 3,251 22,256 5,261 3,264 10,269 9,274 5,277 7,281 6524,282 32.363,283 32.363,284 32.363,285 32.363,286 32.363,287 30.079,288 44.032,289 19.872,290 33.072,291 24.555,292 24.555,293 24.555,294 24.555,295 24.555,296 21.015,297 61.088,298 9.273,299 25.5,300 5.401,301 3.5,302 2.081,303 1.6,304 1.408,305 1.301,306 4.577,312 1,313 2272,314 5.831,318 653.55,325 4.181,326 37.864,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 102,338 1100,339 4.381,340 3.581,341 6.25,342 3.974,343 2.988,344 3.846,345 0.916,346 9.366,347 2.947,348 4.212,349 3.229,350 6.198,351 3.871,352 2.913,353 3.806,354 0.916,355 9.231,356 2.794,357 4.212,358 3.229,359 6.198,360 3.871,361 2.913,362 3.806,363 0.86,364 9.231,365 2.794,366 3.773,367 2.896,368 5.843,369 3.547,370 2.607,371 3.014,372 0.86,373 7.912,374 2.446,375 3.677,376 2.896,377 5.843,378 3.547,379 2.607,380 2.703,381 0.6,382 7.912,383 2.446,384 3.677,385 2.889,386 5.741,387 3.392,388 2.422,389 2.703,390 0.4,391 7.583,392 2.34,393 3.266,394 2.437,395 4.559,396 2.844,397 1.851,398 2.385,399 0.172,400 4.72,401 1.835,402 2.917,403 2.01,404 4.39,405 2.833,406 1.844,407 2.09,408 0.172,409 4.191,410 1.823,411 2.917,412 2.009,413 4.39,414 2.684,415 1.695,416 2.09,418 4.191,419 1.669,420 2.885,421 1.958,422 3.957,423 2.551,424 1.596,425 2.007,427 3.772,428 1.523,429 2.881,430 1.814,431 3.914,432 2.548,433 1.594,434 2.007,436 3.681,437 1.52,438 2.872,439 1.707,440 3.824,441 2.461,442 1.491,443 1.872,445 3.23,446 1.438,447 2.813,448 1.559,449 3.71,450 2.452,451 1.468,452 1.81,454 3.097,455 1.435,456 2.622,457 1.551,458 3.638,459 2.436,460 1.451,461 1.568,463 3.048,464 1.424,465 2.424,466 1.451,467 3.61,468 2.346,469 1.361,470 1.412,472 2.957,473 1.338,474 22.933,475 0.478,476 0.945,477 0.02,478 48,479 1,480 19,481 0.396,482 29,483 0.604,484 61.36,485 1.278,486 56.267,487 0.521,488 39.716,489 0.827,490 9.132,491 0.19,492 14.095,493 0.294,494 0.16,496 0.253,501 0.882,502 1.51,503 1.021,504 1.331,505 0.784,506 1.21,507 1.153,508 1.203,509 1.043,510 1.069,511 0.671,512 1.037,513 0.981,514 1.099,515 1.016,516 1.041,517 0.759,518 1.022,519 0.92,520 1.087,521 1.056,522 1.081,523 0.825,524 1.084,525 0.716,526 0.99,527 0.935,528 1.004,529 0.784,530 0.994,531 1.065,532 0.991,533 1.054,534 1.024,535 1.101,536 1.035,537 1.206,538 0.975,539 1.159,540 1.055,541 1.157,542 1.101,543 0.784,544 1.061,545 1.008,546 1.084,547 1.026,548 1.078,549 8,550 0.231,551 4.889,552 2.5,553 2.569,554 1.486,555 0.937,556 0.566,557 0.304,558 0.242,559 55348,560 115374,561 1.972,562 55.6,563 8,564 30,567 2,569 20,572 1.834,573 1.846,574 4.386,575 0.023,582 146.237,583 1.354,584 3.254,585 4.673,586 5.155,587 5.347,588 5.454,589 3.772,590 4.304,591 5.559,592 4.707,593 5309.15,594 9.816,595 128604,600 729.528,601 1.384,602 5.513,603 0.16,604 0.005,605 0.076,606 0.036,607 0.04,608 0.023,609 0.015,610 0.011,611 0.007,612 0.006,613 0.38,614 0.17,615 0.75,616 0.846,617 301.636,618 0.003,619 -0.183,620 0.043,621 -0.08,622 -0.023,623 -0.025,624 -0.08,625 -0.034,626 0.006,627 0.002,628 0.055,629 0.014,630 0.015,631 0.001,632 0.006,633 -0.022,634 0.099,635 -0.007,636 0.05,637 -0.052,638 -0.057,639 -0.068,640 0.025,641 -0.075,642 0.06,643 -0.002,644 0.028,645 -0.006,646 0.079,647 0.007,648 -0.083,650 -0.066,651 -0.028,652 -0.085,653 -0.041,654 -0.121,655 -0.003,656 -0.163,657 -0.062,658 -0.139,659 -0.112,660 -0.02,661 -0.128,662 -0.062,663 -0.102,664 -0.087,665 -0.091,666 1.817,667 5.685,668 0.375,669 94.083,670 0.986,671 1.134,672 3.493,673 12.204,674 0.622,675 3.932,676 4.174,677 4.369,678 4.511,679 4.673,680 4.615,681 4.554,682 4.489,683 4.466,684 4.443,685 13.881,686 0.571,687 661.04,688 3.932,689 5.434,690 6.24,691 7.071,692 7.897,693 8.732,694 9.565,695 10.403,696 11.239,697 12.078,698 3.7,700 1,701 2,707 1,715 8,720 4,722 12,739 2,741 108,743 16,744 2,745 50,747 110,748 40,749 12,750 4,751 8,752 6,756 3,757 3,763 4,770 10,772 18,773 22,777 4,782 1,784 2,785 1,786 4,793 60,794 8,795 2,796 8,802 4,808 1,809 4,829 3,839 1,841 1,849 4,853 1,855 2,857 1,859 3,864 6,868 48,875 1,876 14,877 1,878 2,880 2,881 2,893 3.7,895 1,896 1,898 2,901 26,902 20.55,903 11.167,904 7.046,907 2.825,908 1.353,909 0.91,910 18.007,911 10.82,912 4.111,913 4.554,914 5.001,915 5.392,916 5.81,917 5.769,918 5.805,919 5.83,920 5.865,921 5.811,922 0.933,923 69,924 17.857,926 7.129,927 0.026,929 7.552,931 35.153,933 27.815,936 2.052,937 98.5,941 682.724,942 212.245,943 41.045,945 89.828,948 212.245,949 772.552,950 41.045,951 57.067,952 32.91,953 112.773,954 78.475,955 61.892,957 682.724,959 682.724,960 253.29,961 89.828,964 447.302,965 325.25,968 109.256,969 122.324,970 21.709,972 682.724,973 130.873,974 212.245,977 682.724,978 60.415,979 158.078,980 18.011,981 106.614,982 682.724,983 130.873,984 212.245,986 0.559,987 0.324,988 0.167,989 0.091,990 21,991 12,992 0.209,993 23,995 1,996 5.859,997 431.146,999 18,1000 262.078,1005 39.477,1006 21.895,1007 13.829,1009 130.873,1010 16.456,1015 4.314,1017 60.694,1018 1025.84,1019 60,1024 12.685,1026 2.986,1027 4.501,1028 0.761,1031 106.457,1032 122.456,1034 0.2,1035 0.482,1036 0.692,1037 0.763,1038 0.792,1039 0.807,1040 5.328,1041 1.844,1042 6.184,1043 4.72,1044 4.86,1045 5.242,1046 2.08,1047 6.913,1048 4.788,1049 6.468,1050 1.695,1051 7.698,1052 4.191,1053 4.29,1054 4.844,1055 0.57,1056 7.7,1057 4.174,1058 7.73,1059 1.596,1060 9.318,1061 4.191,1062 6.372,1063 7.24,1064 1.689,1065 10.752,1066 6.228,1067 9.028,1068 1.594,1069 11.002,1070 3.772,1071 6.661,1072 7.698,1073 0.674,1074 12.375,1075 6.463,1076 10.362,1077 1.491,1078 12.727,1079 3.681,1080 8.164,1081 9.56,1082 1.417,1083 14.912,1084 7.95,1085 11.72,1086 1.468,1087 14.478,1088 3.23,1089 8.858,1090 10.429,1091 0.66,1092 16.861,1093 8.593,1094 13.098,1095 1.451,1096 16.246,1097 3.097,1098 10.116,1099 12.052,1100 1.203,1101 19.209,1102 9.835,1103 2.988,1104 1.361,1105 18.027,1106 3.048,1107 11.004,1108 13.131,1109 0.611,1110 21.298,1111 10.681,1112 2.913,1113 9.366,1114 19.816,1115 2.957,1116 12.153,1117 14.631,1118 1.023,1119 23.57,1120 11.812,1121 2.913,1122 9.231,1123 21.61,1124 3.846,1125 13.135,1126 15.823,1127 0.55,1128 25.724,1129 12.759,1130 2.607,1131 9.231,1132 23.409,1133 3.806,1134 14.237,1135 17.257,1136 0.869,1137 27.965,1138 13.842,1139 2.607,1140 7.912,1141 25.211,1142 3.806,1143 15.263,1144 18.511,1145 0.487,1146 30.152,1147 14.839,1148 2.422,1149 7.912,1150 27.016,1151 3.014,1152 16.346,1153 19.906,1154 0.735,1155 32.381,1156 15.902,1157 1.851,1158 7.583,1159 28.822,1160 2.703,1161 17.395,1162 21.196,1163 0.427,1164 34.585,1165 16.925,1166 54128,1167 78384,1168 32.591,1169 67.16,1170 71.985,1171 73.072,1172 73.964,1173 71.118,1174 71.156,1175 84.775,1176 9.795,1177 188.583,1178 68.592,1179 5.349,1180 5.581,1181 6.111,1182 5.007,1183 4.988,1184 6.846,1185 1.776,1186 16.052,1187 4.947,1188 29.446,1189 1.44,1190 1.461,1191 1.479,1192 1.422,1193 1.423,1194 1.696,1195 0.196,1196 3.772,1197 1.372,1198 3.998,1199 4.039,1200 3.925,1201 3.896,1202 7.428,1203 3.897,1204 3.928,1205 3.961,1206 3.863,1207 3.846,1208 6.469,1209 3.846,1210 3.907,1211 3.935,1212 3.861,1213 3.795,1214 4.878,1215 3.808,1216 3.767,1217 3.829,1218 3.629,1219 3.63,1220 4.847,1221 3.619,1222 3.758,1223 3.812,1224 3.625,1225 3.628,1226 4.618,1227 3.617,1228 3.653,1229 3.726,1230 3.505,1231 3.491,1232 4.399,1233 3.483,1234 3.622,1235 3.69,1236 3.461,1237 3.474,1238 4.394,1239 3.462,1240 3.44,1241 3.522,1242 3.273,1243 3.267,1244 4.353,1245 3.255,1246 0.088,1247 0.072,1248 0.125,1249 0.079,1250 0.06,1251 4.381,1252 0.077,1253 3.581,1254 0.018,1255 6.25,1256 0.187,1257 3.974,1258 0.059,1259 2.988,1260 3.846,1261 0.916,1262 9.366,1263 2.947,1264 1.916,1265 1.889,1266 2.059,1267 2.04,1268 1.384,1269 2.048,1270 1.916,1271 1.889,1272 2.057,1273 2.038,1274 1.382,1275 2.046,1276 1.856,1277 1.829,1278 2.007,1279 2.004,1280 1.235,1281 1.999,1282 1.775,1283 1.713,1284 1.996,1285 1.934,1286 1.231,1287 1.958,1288 1.75,1289 1.694,1290 1.925,1291 1.908,1292 1.088,1293 1.921,1294 1.652,1295 1.581,1296 1.907,1297 1.845,1298 1.08,1299 1.869,1300 1.632,1301 1.565,1302 1.871,1303 1.812,1304 1.037,1305 1.839,1306 1.446,1307 1.368,1308 1.739,1309 1.66,1310 1.008,1311 1.691,1312 4.615,1314 5.878,1316 7.324,1318 8.862,1320 10.45,1322 12.403,1327 10.548,1328 13.646,1329 3.246,1330 11.073,1332 0.908,1333 4.972,1340 61.695,1341 146.237,1342 351.475,1343 504.734,1344 556.734,1345 577.489,1346 588.999,1347 148.821,1348 7.996,1349 86.63,1350 86.63,1351 18,1352 12.645,1353 4.087,1354 3.459,1355 118.907,1356 410,1357 310,1358 0.134,1359 386.172,1360 694.44,1361 934.02,1362 48288,1364 34.727,1365 0.723,1366 0.632,1367 34.727,1368 30.341,1369 23.227,1370 0.465,1371 0.358,1372 17.693,1373 22.432,1374 17.042,1375 14.38,1376 23.227,1377 17.903,1378 19.542,1379 0.305,1380 0.207,1381 19.542,1382 13.226,1383 15.537,1384 0.199,1385 0.115,1386 15.537,1387 8.993,1388 11.785,1389 0.131,1390 0.066,1391 11.785,1392 5.963,1393 9.263,1394 0.087,1395 0.038,1396 9.263,1397 4.076,1398 0.228,1399 144.804,1400 0.175,1401 43.815,1402 0.324,1403 228,1404 578.624,1405 246.235,1406 554.829,1407 750.77,1408 522,1409 256,1410 534.49,1411 275.07,1412 546.655,1413 785.02,1414 510,1415 7.889}
{0 CHEMBL242905,1 1.552,2 14.735,3 4.897,4 23.982,5 129.407,6 7.94,7 0.486,8 4.168,9 4.259,10 3.787,11 3.698,12 5.376,13 3.7,14 4.681,15 4.823,16 4.13,17 4.072,18 5.935,19 4.066,20 4.857,21 4.99,22 4.238,23 4.246,24 6.031,25 4.213,26 5.062,27 5.264,28 4.2,29 4.254,30 6.183,31 4.198,32 5.014,33 5.201,34 4.117,35 4.209,36 6.155,37 4.148,38 4.988,39 5.205,40 3.962,41 4.145,42 6.071,43 4.048,44 4.833,45 5.058,46 3.888,47 4.036,48 5.884,49 3.945,50 4.765,51 4.958,52 3.799,53 3.912,54 5.951,55 3.849,56 0.165,57 0.775,58 10.405,59 5.427,60 8.855,61 6.345,62 0.56,63 1.227,64 21.106,65 8.618,66 62.16,67 10.198,68 0.368,69 1.475,70 23.408,71 11.034,72 29.758,73 13.23,74 0.681,75 1.714,76 34.72,77 13.153,78 71.019,79 16.817,80 0.75,81 1.619,82 32.596,83 12.432,84 71.491,85 15.231,86 0.816,87 1.547,88 33.765,89 12.599,90 92.282,91 16.29,92 0.492,93 1.376,94 28.047,95 10.906,96 51.365,97 14.638,98 0.724,99 1.214,100 26.774,101 9.523,102 95.404,103 11.498,104 46,105 52,106 0.25,107 0.565,108 0.721,109 0.813,110 0.832,111 0.848,112 3.56,113 0.858,114 -5.36,115 -5.24,116 -4.9,121 44.8,126 3,127 2,137 1,138 1,144 10,145 4,146 4,160 1,168 2,176 14,179 2,180 10,187 16,191 1,192 18,200 13,205 1,206 16,214 8,218 2,219 11,227 10,231 3,232 5,239 12,243 1,244 5,251 11,255 2,256 9,264 8,269 10,277 6,281 2096,282 22.859,283 22.859,284 22.859,285 22.859,286 22.859,287 20.146,288 28.382,289 13.251,290 23.449,291 18.136,292 18.136,293 18.136,294 18.136,295 18.136,296 13.83,297 37.474,298 6.129,299 18.869,300 4.306,301 2.347,302 1.383,303 0.811,304 0.694,305 0.591,306 4.254,311 1,312 1,313 1071,314 3.873,318 448.144,322 172.804,325 2.398,326 38.666,329 1,330 0.83,331 1,332 0.6,333 0.5,334 1,335 1,336 0.85,337 75,338 501,339 4.511,340 3.78,341 6.553,342 4.125,343 3.149,344 4.166,345 2.612,346 10.396,347 3.074,348 4.28,349 3.729,350 6.271,351 3.855,352 2.882,353 3.977,354 1.674,355 9.454,356 2.797,357 4.246,358 3.234,359 5.981,360 3.809,361 2.834,362 3.833,363 0.995,364 8.51,365 2.763,366 3.924,367 3.041,368 5.835,369 3.58,370 2.615,371 3.368,372 0.86,373 7.959,374 2.526,375 3.758,376 2.738,377 5.542,378 3.373,379 2.423,380 3.186,381 0.86,382 7.484,383 2.301,384 3.646,385 2.698,386 5.29,387 3.257,388 2.278,389 2.987,390 0.359,391 6.703,392 2.211,393 3.342,394 2.513,395 5.022,396 2.96,397 1.982,398 2.532,400 5.723,401 1.922,402 3.17,403 2.229,404 4.743,405 2.797,406 1.851,407 2.344,409 5.18,410 1.74,411 3.057,412 2.154,413 4.593,414 2.655,415 1.692,416 2.195,418 4.759,419 1.619,420 2.816,421 1.785,422 4.145,423 2.307,424 1.321,425 1.873,427 3.434,428 1.303,429 2.645,430 1.67,431 3.753,432 2.184,433 1.271,434 1.59,436 2.981,437 1.147,438 2.584,439 1.189,440 3.436,441 2,442 1,443 1.579,445 2.323,446 1,447 2.5,448 1.158,449 3.414,450 2,451 1,452 1.5,454 2.275,455 1,456 2.018,457 1.003,458 3.4,459 1.61,460 0.666,461 0.85,463 1.491,464 0.618,465 1.496,466 1,467 2.949,468 1.233,469 0.384,470 0.415,472 0.531,473 0.323,474 15.8,475 0.465,476 0.886,477 0.026,478 47.25,479 1.39,480 25.5,481 0.75,482 21.75,483 0.64,484 26.028,485 0.766,486 36.4,487 0.628,488 40.216,489 1.183,490 9.865,491 0.29,492 6.506,493 0.191,494 0.158,496 0.367,501 0.607,502 1.19,503 0.694,504 1.086,505 0.527,506 0.948,507 0.912,508 0.818,509 0.799,510 0.762,511 0.479,512 0.741,513 0.755,514 1.287,515 0.945,516 1.26,517 0.573,518 1.169,519 0.884,520 1.042,521 0.919,522 1.019,523 0.847,524 0.982,525 1.062,526 0.996,527 1.107,528 1.056,529 0.965,530 1.084,531 0.872,532 0.917,533 1.034,534 0.964,535 1.012,536 1.031,537 0.599,538 0.989,539 0.862,540 1.019,541 0.543,542 1.002,543 1.299,544 0.883,545 1.17,546 0.898,547 1.71,548 0.992,549 8,550 0.206,551 3.778,552 2.5,553 2.373,554 1.264,555 0.949,556 0.436,557 0.381,558 0.254,559 18239,560 57348,561 2.042,562 41.4,564 24,572 1.755,573 1.889,574 3.829,575 -0.758,582 90.003,583 1.552,584 3.511,585 4.475,586 5.047,587 5.164,588 5.267,589 3.268,590 4.653,591 5.058,592 4.024,593 2257.53,594 8.839,595 36158.8,600 339.763,601 1.484,602 5.006,603 0.216,604 0.008,605 0.073,606 0.045,607 0.046,608 0.027,609 0.024,610 0.011,611 0.011,612 0.008,613 0.468,614 0.17,615 0.88,616 0.9,617 185.743,618 0.101,619 -0.068,620 0.068,621 -0.055,622 -0.014,623 -0.019,624 0.017,625 0.255,626 0.088,627 0.231,628 0.171,629 0.196,630 0.011,631 -0.24,632 -0.104,633 -0.237,634 0.033,635 -0.205,636 -0.009,637 -0.059,638 0.057,639 -0.031,640 -0.004,641 0.02,642 -0.085,643 -0.008,644 -0.136,645 -0.072,646 -0.076,647 -0.106,648 0.014,649 0.028,650 -0.032,651 0.032,652 -0.071,653 -0.007,654 0.085,655 -0.014,656 0.106,657 -0.017,658 0.093,659 0.041,660 -0.169,661 0.074,662 -0.152,663 0.078,664 -0.272,665 -0.018,666 2.391,667 5.634,668 0.647,669 42.076,670 1.015,671 1.118,672 4.131,673 17.069,674 0.674,675 3.638,676 3.97,677 4.234,678 4.489,679 4.745,680 4.82,681 4.977,682 5.081,683 5.176,684 5.176,685 8.617,686 0.657,687 460.52,688 3.638,689 5.187,690 6.038,691 6.919,692 7.786,693 8.67,694 9.544,695 10.429,696 11.308,697 12.195,698 3.4,701 1,709 1,715 10,720 8,722 18,735 1,739 2,741 58,743 22,744 3,745 37,747 61,748 26,749 18,750 8,751 10,752 3,756 4,757 5,772 21,773 5,777 4,779 1,782 3,784 1,786 2,793 24,794 7,796 8,802 2,808 0.75,809 6,829 4,833 1,846 1,849 1,850 1,855 1,859 3,864 3,868 34,876 2,878 3,881 1,893 10.3,896 1,898 3,899 2,901 18,902 11.567,903 7.556,904 3.169,907 3.944,908 1.484,909 0.965,910 7.081,911 12.098,912 3.932,913 4.538,914 5.092,915 5.64,916 6.212,917 6.464,918 6.856,919 7.168,920 7.513,921 7.769,922 0.9,923 56,924 12.542,926 5.315,927 0.026,929 7.946,931 23.43,933 18.775,936 2.446,937 83.167,940 1,941 282.506,942 180.219,943 8.794,945 108.892,948 180.219,949 391.398,950 8.794,951 35.833,952 4.211,953 104.239,954 32.336,955 70.539,957 282.506,958 50.747,959 282.506,960 189.013,961 108.892,964 282.506,965 58.145,966 50.747,968 7.336,969 166.531,970 15.146,972 282.506,973 117.686,974 180.219,977 282.506,978 45.818,979 143.196,981 108.892,982 282.506,983 117.686,984 180.219,986 0.582,987 0.345,988 0.185,989 0.103,990 24,991 12,992 0.131,993 8,994 1,995 1.091,996 4.471,997 310.387,998 0.091,999 22,1000 166.974,1005 23.645,1006 10.182,1007 5.366,1009 112.016,1010 17.728,1015 4.943,1018 580.411,1019 50,1021 -0.391,1024 34.609,1026 1.784,1028 0.02,1031 58.887,1032 64.82,1034 0.265,1035 0.599,1036 0.764,1037 0.862,1038 0.881,1039 0.899,1040 5.173,1041 1.851,1042 6.033,1043 5.723,1044 4.654,1045 5.226,1046 3.127,1047 6.843,1048 4.585,1049 6.393,1050 1.692,1051 7.595,1052 5.18,1053 4.29,1054 5.094,1055 2.396,1056 7.722,1057 4.195,1058 7.709,1059 1.321,1060 9.251,1061 4.759,1062 6.256,1063 7.42,1064 4.42,1065 10.79,1066 6.131,1067 9.057,1068 1.271,1069 10.96,1070 3.434,1071 6.661,1072 8.051,1073 4.514,1074 12.443,1075 6.506,1076 10.432,1077 1,1078 12.701,1079 2.981,1080 8.115,1081 9.878,1082 6.063,1083 15.03,1084 7.941,1085 11.827,1086 1,1087 14.464,1088 2.323,1089 8.878,1090 10.866,1091 6.557,1092 17.027,1093 8.672,1094 13.236,1095 0.666,1096 16.243,1097 2.275,1098 10.123,1099 12.479,1100 7.845,1101 19.436,1102 9.9,1103 3.149,1104 0.384,1105 18.035,1106 1.491,1107 11.061,1108 13.652,1109 8.548,1110 21.596,1111 10.809,1112 2.882,1113 10.396,1114 19.836,1115 0.531,1116 12.22,1117 15.16,1118 9.692,1119 23.938,1120 11.949,1121 2.834,1122 9.454,1123 21.646,1124 4.166,1125 13.245,1126 16.433,1127 10.509,1128 26.177,1129 12.947,1130 2.615,1131 8.51,1132 23.462,1133 3.977,1134 14.37,1135 17.889,1136 11.572,1137 28.498,1138 14.052,1139 2.423,1140 7.959,1141 25.283,1142 3.833,1143 15.44,1144 19.218,1145 12.452,1146 30.777,1147 15.096,1148 2.278,1149 7.484,1150 27.11,1151 3.368,1152 16.555,1153 20.647,1154 13.471,1155 33.093,1156 16.19,1157 1.982,1158 6.703,1159 28.941,1160 3.186,1161 17.648,1162 22.009,1163 14.386,1164 35.393,1165 17.258,1166 17505,1167 31209,1168 24.274,1169 39.114,1170 55.444,1171 58.032,1172 57.602,1173 54.849,1174 54.918,1175 73.05,1176 14.721,1177 158.935,1178 52.901,1179 5.404,1180 5.78,1181 6.101,1182 5.216,1183 5.149,1184 7.166,1185 4.612,1186 17.269,1187 5.074,1188 19.847,1189 1.498,1190 1.568,1191 1.557,1192 1.482,1193 1.484,1194 1.974,1195 0.398,1196 4.296,1197 1.43,1198 4.056,1199 4.074,1200 4.016,1201 3.977,1202 7.815,1203 3.982,1204 3.984,1205 4.004,1206 3.947,1207 3.874,1208 7.433,1209 3.88,1210 3.877,1211 3.898,1212 3.824,1213 3.803,1214 6.999,1215 3.805,1216 3.611,1217 3.661,1218 3.547,1219 3.41,1220 4.966,1221 3.428,1222 3.501,1223 3.512,1224 3.459,1225 3.251,1226 4.747,1227 3.28,1228 3.384,1229 3.431,1230 3.277,1231 3.028,1232 4.686,1233 3.103,1234 3.249,1235 3.314,1236 3.063,1237 2.953,1238 4.527,1239 2.965,1240 3.15,1241 3.215,1242 2.99,1243 2.922,1244 4.494,1245 2.926,1246 0.122,1247 0.102,1248 0.177,1249 0.111,1250 0.085,1251 4.511,1252 0.113,1253 3.78,1254 0.071,1255 6.553,1256 0.281,1257 4.125,1258 0.083,1259 3.149,1260 4.166,1261 2.612,1262 10.396,1263 3.074,1264 1.993,1265 1.979,1266 2.081,1267 2.1,1268 1.248,1269 2.085,1270 1.935,1271 1.909,1272 2.033,1273 2.071,1274 1.17,1275 2.052,1276 1.857,1277 1.84,1278 1.948,1279 1.966,1280 1.087,1281 1.96,1282 1.523,1283 1.477,1284 1.734,1285 1.784,1286 0.871,1287 1.757,1288 1.38,1289 1.342,1290 1.598,1291 1.642,1292 0.65,1293 1.604,1294 1.192,1295 1.153,1296 1.575,1297 1.578,1298 0.574,1299 1.539,1300 1.191,1301 1.116,1302 1.435,1303 1.524,1304 0.555,1305 1.53,1306 1.127,1307 1.054,1308 1.374,1309 1.367,1310 0.501,1311 1.39,1312 4.317,1314 5.645,1316 7.169,1318 8.783,1320 10.445,1322 5.031,1328 1.218,1330 16.157,1333 2.068,1340 38.126,1341 90.003,1342 203.629,1343 259.524,1344 292.743,1345 299.498,1346 305.498,1347 70.291,1348 8.155,1349 97.73,1350 97.73,1351 24,1352 12.727,1353 4.524,1354 3.807,1355 57.34,1356 179,1357 158,1358 0.156,1359 233.035,1360 419.28,1361 560.365,1362 44580,1364 24.242,1365 0.713,1366 0.562,1367 24.242,1368 19.109,1369 16.372,1370 0.442,1371 0.286,1372 10.382,1373 15.526,1374 10.042,1375 8.399,1376 16.372,1377 10.587,1378 14.835,1379 0.285,1380 0.154,1381 14.835,1382 7.989,1383 12.308,1384 0.181,1385 0.081,1386 12.308,1387 5.53,1388 10.255,1389 0.117,1390 0.044,1391 10.255,1392 3.885,1393 8.483,1394 0.074,1395 0.023,1396 8.483,1397 2.641,1398 0.254,1399 104.451,1400 0.203,1401 32.016,1402 0.406,1403 178,1404 613.703,1405 198.214,1406 577.348,1407 770.79,1408 536,1409 209,1410 558.125,1411 229.72,1412 563.205,1413 814.35,1414 521,1415 6.434}
{0 CHEMBL242906,1 1.552,2 15.353,3 4.897,4 23.982,5 129.407,6 7.94,7 0.486,8 4.168,9 4.259,10 3.787,11 3.698,12 5.376,13 3.7,14 4.681,15 4.823,16 4.13,17 4.072,18 5.935,19 4.066,20 4.857,21 4.99,22 4.238,23 4.246,24 6.033,25 4.213,26 5.062,27 5.264,28 4.185,29 4.252,30 6.193,31 4.192,32 5.008,33 5.202,34 4.069,35 4.198,36 6.122,37 4.127,38 4.934,39 5.152,40 3.927,41 4.131,42 5.955,43 4.027,44 4.848,45 5.081,46 3.865,47 4.022,48 5.892,49 3.922,50 4.685,51 4.872,52 3.819,53 3.9,54 5.838,55 3.842,56 0.165,57 0.775,58 10.405,59 5.427,60 8.855,61 6.345,62 0.56,63 1.227,64 21.106,65 8.618,66 62.159,67 10.198,68 0.368,69 1.475,70 23.408,71 11.034,72 29.793,73 13.23,74 0.685,75 1.711,76 34.703,77 13.161,78 70.288,79 16.802,80 0.761,81 1.587,82 33.052,83 12.566,84 78.61,85 15.512,86 0.616,87 1.497,88 31.148,89 12.337,90 67.04,91 16.123,92 0.63,93 1.37,94 29.547,95 11.179,96 68.096,97 15.138,98 0.529,99 1.181,100 23.174,101 8.741,102 52.104,103 10.834,104 46,105 52,106 0.25,107 0.565,108 0.706,109 0.782,110 0.804,111 0.815,112 3.56,113 0.858,114 -5.36,115 -5.24,116 -4.9,121 44.8,126 3,127 2,137 1,138 1,144 10,145 4,146 4,160 1,168 2,176 14,179 2,180 10,187 16,191 1,192 18,200 13,205 1,206 17,214 8,218 1,219 10,227 10,231 2,232 5,239 13,243 3,244 4,251 12,255 2,256 6,264 8,269 8,277 5,281 2144,282 22.859,283 22.859,284 22.859,285 22.859,286 22.859,287 20.146,288 28.382,289 13.211,290 23.449,291 18.12,292 18.12,293 18.12,294 18.12,295 18.12,296 13.824,297 35.557,298 6.102,299 18.853,300 4.306,301 2.347,302 1.474,303 1.005,304 0.867,305 0.798,306 4.254,311 1,312 1,313 1117,314 3.873,318 453.928,322 175.485,325 2.471,326 38.029,329 1,330 0.83,331 1,332 0.6,333 0.5,334 1,335 1,336 0.85,337 75,338 522,339 4.511,340 3.778,341 6.553,342 4.125,343 3.149,344 4.166,345 2.612,346 10.396,347 3.074,348 4.257,349 3.729,350 6.271,351 3.854,352 2.881,353 3.952,354 1.674,355 9.454,356 2.796,357 4.245,358 3.234,359 5.932,360 3.775,361 2.801,362 3.833,363 0.995,364 8.251,365 2.73,366 3.929,367 3.042,368 5.835,369 3.59,370 2.627,371 3.37,372 0.86,373 7.96,374 2.533,375 3.797,376 2.736,377 5.561,378 3.404,379 2.445,380 3.246,381 0.86,382 7.563,383 2.351,384 3.65,385 2.698,386 5.324,387 3.281,388 2.307,389 2.987,390 0.359,391 6.867,392 2.223,393 3.342,394 2.51,395 5.024,396 2.966,397 1.99,398 2.532,400 5.731,401 1.927,402 3.168,403 2.229,404 4.745,405 2.799,406 1.855,407 2.342,409 5.195,410 1.741,411 3.054,412 2.157,413 4.598,414 2.654,415 1.692,416 2.18,418 4.779,419 1.616,420 2.839,421 1.856,422 4.145,423 2.232,424 1.287,425 1.885,427 3.433,428 1.227,429 2.646,430 1.674,431 3.769,432 2.181,433 1.225,434 1.586,436 2.907,437 1.145,438 2.5,439 1.166,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.5,448 1.004,449 3.414,450 2,451 1,452 1.5,454 2.275,455 1,456 2.019,457 1,458 3.401,459 1.61,460 0.666,461 0.851,463 1.492,464 0.618,465 1.496,466 1,467 2.948,468 1.233,469 0.384,470 0.415,472 0.532,473 0.323,474 15.8,475 0.465,476 0.886,477 0.026,478 47.25,479 1.39,480 25.5,481 0.75,482 21.75,483 0.64,484 25.916,485 0.762,486 36.4,487 0.628,488 39.962,489 1.175,490 9.865,491 0.29,492 6.506,493 0.191,494 0.158,496 0.367,501 0.607,502 1.19,503 0.694,504 1.086,505 0.527,506 0.948,507 0.912,508 0.818,509 0.799,510 0.762,511 0.48,512 0.741,513 0.755,514 1.287,515 0.945,516 1.26,517 0.57,518 1.169,519 0.89,520 1.033,521 0.945,522 1.03,523 0.84,524 1.002,525 1.065,526 0.978,527 1.104,528 1.019,529 0.994,530 1.063,531 0.712,532 0.957,533 0.986,534 1.048,535 0.665,536 1.081,537 0.591,538 0.921,539 0.836,540 0.931,541 0.693,542 0.946,543 1.019,544 0.984,545 1.092,546 1.025,547 1.07,548 1.061,549 8,550 0.219,551 4,552 2.375,553 2.373,554 1.264,555 0.908,556 0.491,557 0.332,558 0.284,559 18575,560 58968,561 2.042,562 41.4,564 24,572 1.754,573 1.889,574 3.869,575 -0.758,582 90.003,583 1.552,584 3.511,585 4.384,586 4.853,587 4.991,588 5.06,589 3.41,590 4.514,591 5.056,592 4.069,593 2282.68,594 8.831,595 36791.4,600 339.763,601 1.484,602 5.006,603 0.216,604 0.008,605 0.077,606 0.042,607 0.047,608 0.028,609 0.023,610 0.013,611 0.009,612 0.009,613 0.473,614 0.17,615 0.88,616 0.9,617 186.311,618 0.101,619 -0.068,620 0.068,621 -0.055,622 -0.014,623 -0.019,624 0.017,625 0.255,626 0.088,627 0.231,628 0.17,629 0.196,630 0.011,631 -0.24,632 -0.104,633 -0.237,634 0.035,635 -0.205,636 -0.015,637 -0.049,638 0.031,639 -0.042,640 0.003,641 -0.001,642 -0.097,643 -0.013,644 -0.123,645 -0.027,646 -0.099,647 -0.07,648 0.039,649 -0.005,650 -0.013,651 -0.038,652 -0.002,653 -0.04,654 0.14,655 0.028,656 0.16,657 0.073,658 0.056,659 0.107,660 -0.077,661 0.031,662 -0.131,663 -0.049,664 -0.092,665 -0.091,666 2.404,667 5.631,668 0.647,669 43.654,670 1.015,671 1.118,672 4.131,673 17.069,674 0.674,675 3.638,676 3.97,677 4.234,678 4.477,679 4.736,680 4.828,681 4.977,682 5.094,683 5.159,684 5.187,685 8.811,686 0.657,687 460.52,688 3.638,689 5.187,690 6.038,691 6.917,692 7.784,693 8.665,694 9.539,695 10.423,696 11.301,697 12.187,698 3.4,701 1,709 1,715 10,720 8,722 18,735 1,739 2,741 58,743 22,744 3,745 37,747 61,748 26,749 18,750 8,751 10,752 3,756 4,757 5,772 21,773 5,777 4,779 1,782 3,784 1,786 2,793 24,794 7,796 8,802 2,808 0.75,809 6,829 4,833 1,846 1,849 1,850 1,855 1,859 3,864 3,868 34,876 2,878 3,881 1,893 10.3,896 1,898 3,899 2,901 18,902 11.567,903 7.556,904 3.169,907 3.911,908 1.48,909 0.965,910 7.081,911 12.066,912 3.932,913 4.538,914 5.092,915 5.632,916 6.203,917 6.487,918 6.85,919 7.179,920 7.494,921 7.777,922 1,923 56,924 12.534,926 5.306,927 0.026,929 7.946,931 23.43,933 18.775,936 2.446,937 83.167,940 1,941 282.506,942 180.219,943 8.794,945 108.892,948 180.219,949 391.398,950 8.794,951 35.833,952 4.211,953 104.239,954 32.336,955 70.539,957 282.506,958 50.747,959 282.506,960 189.013,961 108.892,964 282.506,965 58.145,966 50.747,968 7.336,969 166.531,970 15.146,972 282.506,973 117.686,974 180.219,977 282.506,978 45.818,979 143.196,981 108.892,982 282.506,983 117.686,984 180.219,986 0.583,987 0.345,988 0.182,989 0.1,990 24,991 12,992 0.131,993 8,994 1,995 1.091,996 4.498,997 308.716,998 0.091,999 22,1000 162.974,1005 23.645,1006 10.182,1007 5.366,1009 112.016,1010 17.715,1015 5.115,1018 580.411,1019 50,1021 -0.404,1024 34.241,1026 1.791,1028 0.035,1031 58.887,1032 64.82,1034 0.265,1035 0.599,1036 0.748,1037 0.829,1038 0.852,1039 0.864,1040 5.173,1041 1.855,1042 6.033,1043 5.731,1044 4.654,1045 5.226,1046 3.127,1047 6.841,1048 4.585,1049 6.393,1050 1.692,1051 7.595,1052 5.195,1053 4.29,1054 5.094,1055 2.396,1056 7.722,1057 4.195,1058 7.709,1059 1.287,1060 9.251,1061 4.779,1062 6.256,1063 7.42,1064 4.42,1065 10.782,1066 6.131,1067 9.057,1068 1.225,1069 10.959,1070 3.433,1071 6.661,1072 8.051,1073 4.514,1074 12.436,1075 6.506,1076 10.432,1077 1,1078 12.699,1079 2.907,1080 8.113,1081 9.877,1082 6.063,1083 15.016,1084 7.939,1085 11.826,1086 1,1087 14.461,1088 2.275,1089 8.874,1090 10.862,1091 6.557,1092 17.013,1093 8.668,1094 13.235,1095 0.666,1096 16.24,1097 2.275,1098 10.118,1099 12.474,1100 7.845,1101 19.419,1102 9.894,1103 3.149,1104 0.384,1105 18.03,1106 1.492,1107 11.053,1108 13.643,1109 8.548,1110 21.579,1111 10.8,1112 2.881,1113 10.396,1114 19.83,1115 0.532,1116 12.21,1117 15.15,1118 9.692,1119 23.921,1120 11.939,1121 2.801,1122 9.454,1123 21.639,1124 4.166,1125 13.233,1126 16.42,1127 10.509,1128 26.161,1129 12.934,1130 2.627,1131 8.251,1132 23.454,1133 3.952,1134 14.357,1135 17.874,1136 11.572,1137 28.482,1138 14.038,1139 2.445,1140 7.96,1141 25.275,1142 3.833,1143 15.425,1144 19.2,1145 12.452,1146 30.762,1147 15.08,1148 2.307,1149 7.563,1150 27.101,1151 3.37,1152 16.539,1153 20.628,1154 13.471,1155 33.079,1156 16.173,1157 1.99,1158 6.867,1159 28.931,1160 3.246,1161 17.631,1162 21.987,1163 14.386,1164 35.381,1165 17.24,1166 17823,1167 31929,1168 24.274,1169 39.114,1170 55.407,1171 57.905,1172 57.615,1173 54.817,1174 54.881,1175 73,1176 14.721,1177 158.868,1178 52.864,1179 5.404,1180 5.778,1181 6.095,1182 5.216,1183 5.149,1184 7.166,1185 4.612,1186 17.269,1187 5.074,1188 19.98,1189 1.497,1190 1.565,1191 1.557,1192 1.482,1193 1.483,1194 1.973,1195 0.398,1196 4.294,1197 1.429,1198 4.055,1199 4.073,1200 4.016,1201 3.977,1202 7.815,1203 3.982,1204 3.983,1205 4.003,1206 3.945,1207 3.873,1208 7.433,1209 3.879,1210 3.878,1211 3.899,1212 3.825,1213 3.803,1214 6.999,1215 3.805,1216 3.623,1217 3.673,1218 3.561,1219 3.413,1220 4.966,1221 3.432,1222 3.504,1223 3.514,1224 3.462,1225 3.263,1226 4.747,1227 3.297,1228 3.364,1229 3.414,1230 3.256,1231 3.021,1232 4.685,1233 3.082,1234 3.249,1235 3.314,1236 3.062,1237 2.953,1238 4.527,1239 2.965,1240 3.149,1241 3.214,1242 2.988,1243 2.911,1244 4.494,1245 2.917,1246 0.122,1247 0.102,1248 0.177,1249 0.111,1250 0.085,1251 4.511,1252 0.113,1253 3.778,1254 0.071,1255 6.553,1256 0.281,1257 4.125,1258 0.083,1259 3.149,1260 4.166,1261 2.612,1262 10.396,1263 3.074,1264 1.993,1265 1.979,1266 2.081,1267 2.099,1268 1.248,1269 2.085,1270 1.935,1271 1.909,1272 2.034,1273 2.071,1274 1.169,1275 2.052,1276 1.857,1277 1.84,1278 1.948,1279 1.967,1280 1.086,1281 1.96,1282 1.527,1283 1.481,1284 1.734,1285 1.793,1286 0.872,1287 1.764,1288 1.386,1289 1.352,1290 1.598,1291 1.641,1292 0.651,1293 1.606,1294 1.191,1295 1.143,1296 1.575,1297 1.565,1298 0.574,1299 1.539,1300 1.19,1301 1.116,1302 1.436,1303 1.524,1304 0.556,1305 1.52,1306 1.122,1307 1.047,1308 1.387,1309 1.366,1310 0.503,1311 1.389,1312 4.317,1314 5.645,1316 7.169,1318 8.782,1320 10.441,1322 5.067,1328 1.333,1330 16.162,1333 2.111,1340 38.126,1341 90.003,1342 203.629,1343 254.279,1344 281.498,1345 289.498,1346 293.498,1347 69.393,1348 8.155,1349 97.73,1350 97.73,1351 24,1352 12.721,1353 4.524,1354 3.807,1355 57.406,1356 182,1357 180,1358 0.153,1359 233.035,1360 419.28,1361 560.365,1362 44580,1364 24.242,1365 0.713,1366 0.562,1367 24.242,1368 19.109,1369 16.372,1370 0.442,1371 0.286,1372 10.382,1373 15.526,1374 10.042,1375 8.397,1376 16.372,1377 10.587,1378 14.823,1379 0.285,1380 0.154,1381 14.823,1382 7.985,1383 12.376,1384 0.182,1385 0.082,1386 12.376,1387 5.555,1388 10.193,1389 0.117,1390 0.044,1391 10.193,1392 3.84,1393 8.35,1394 0.074,1395 0.023,1396 8.35,1397 2.639,1398 0.25,1399 104.451,1400 0.203,1401 32.141,1402 0.396,1403 178,1404 613.703,1405 198.214,1406 577.283,1407 770.77,1408 536,1409 209,1410 558.125,1411 229.72,1412 563.07,1413 814.1,1414 521,1415 4.609}
{0 CHEMBL242930,1 1.669,2 7.455,3 4.353,4 18.949,5 63.371,6 12.238,7 0.522,8 3.439,9 3.482,10 3.35,11 3.013,12 5.065,13 3.107,14 3.898,15 3.953,16 3.784,17 3.321,18 5.679,19 3.457,20 4.219,21 4.31,22 3.999,23 3.337,24 6.33,25 3.536,26 4.136,27 4.224,28 3.935,29 3.107,30 6.384,31 3.368,32 3.961,33 4.008,34 3.849,35 2.935,36 6.533,37 3.201,38 3.718,39 3.772,40 3.569,41 2.871,42 6.042,43 3.064,44 3.698,45 3.814,46 3.45,47 2.769,48 5.712,49 2.973,50 3.667,51 3.802,52 3.462,53 2.43,54 6.114,55 2.734,56 0.599,57 0.882,58 0.152,59 2.516,60 121.738,61 1.363,62 1.022,63 1.398,64 0.3,65 3.992,66 205.175,67 2.162,68 1.776,69 1.815,70 4.258,71 5.416,72 353.481,73 2.803,74 1.698,75 1.526,76 5.711,77 4.773,78 349.458,79 2.571,80 1.454,81 1.138,82 3.505,83 3.676,84 308.815,85 1.494,86 0.999,87 0.926,88 1.498,89 3.054,90 209.06,91 1.521,92 1.069,93 1.226,94 3.067,95 3.307,96 209.307,97 1.909,98 1.276,99 1.413,100 3.588,101 3.164,102 240.187,103 1.518,104 65,105 34,106 0.325,107 0.519,108 0.62,109 0.721,110 0.721,111 0.721,112 3.147,113 0.731,114 -5.41,115 -5.29,116 -4.94,121 53.8,144 4,145 2,146 6,159 2,176 2,180 2,187 2,191 1,192 4,200 3,206 2,214 2,219 2,227 1,232 2,239 2,251 2,277 1,281 584,282 13.776,283 13.776,284 13.776,285 13.776,286 13.776,287 11.892,288 9.409,289 7.672,290 14.04,291 11.217,292 11.217,293 11.217,294 11.217,295 11.217,296 8.337,297 6.162,298 3.582,299 11.76,300 3.031,301 2.039,302 1.52,303 1,304 1,305 1,306 3.791,311 1,312 1,313 332,314 3.162,318 152.952,325 1.14,326 80.4,329 0.75,330 1,331 1,332 0.4,334 1,335 1,336 0.74,337 55,338 164,339 4.568,340 3.885,341 6.803,342 4.214,343 3.215,344 4.233,346 11.017,347 3.219,348 4.38,349 3.443,350 6.481,351 3.949,352 2.996,353 4.081,355 9.907,356 2.845,357 3.902,358 3.285,359 5.846,360 3.499,361 2.522,362 3.305,364 7.707,365 2.423,366 3.454,367 2.849,368 5.275,369 3.022,370 2.095,371 2.775,373 6.108,374 1.942,375 3.426,376 2.75,377 4.971,378 2.982,379 2.075,380 2.736,382 5.734,383 1.853,384 3.34,385 2.748,386 4.971,387 2.924,388 1.971,389 2.607,391 5.715,392 1.826,393 2.866,394 2.19,395 4.596,396 2.393,397 1.414,398 1.962,400 4.108,401 1.363,402 2.324,403 2.162,404 3.659,405 1.734,406 0.738,407 1.006,409 1.802,410 0.698,411 1.543,412 1.28,413 2.979,414 1.154,415 0.31,416 0.361,418 0.73,419 0.252,420 1.53,421 1.279,422 2.741,423 1.086,424 0.152,425 0.207,427 0.349,428 0.138,429 0.914,430 0.246,431 2.67,432 0.464,433 -0.464,434 -0.583,436 -1.182,437 -0.402,438 0.913,439 0.243,440 2.483,441 0.458,442 -0.477,443 -0.603,445 -1.192,446 -0.412,447 0.423,448 -0.044,449 2,450 0.042,451 -0.818,452 -0.969,454 -2.024,455 -0.69,456 0.38,457 -0.168,458 1.556,459 0.037,460 -0.824,461 -1.033,463 -2.024,464 -0.712,465 0.123,466 -0.398,467 1.531,468 -0.269,469 -1.312,470 -1.632,472 -3.325,473 -1.151,474 9.381,475 0.426,476 0.868,477 0.039,478 28.5,479 1.295,480 15,481 0.682,482 13.5,483 0.614,484 14.469,485 0.658,486 24.819,487 0.955,488 26.071,489 1.185,490 6.368,491 0.289,492 3.85,493 0.175,494 0.254,496 0.533,499 6,501 0.626,502 0.752,503 0.464,504 0.855,505 0.656,506 0.767,507 0.804,508 0.967,509 0.596,510 1.1,511 0.801,512 0.986,513 1.097,514 1.019,515 1.127,516 1.057,517 1.095,518 1.063,519 1.136,520 1.006,521 1.032,522 1.01,523 1.179,524 0.897,525 0.853,526 0.817,527 0.824,528 0.771,529 0.897,530 0.732,531 0.809,532 0.986,533 0.79,534 0.983,535 0.81,536 1.017,537 1.195,538 1.259,539 1.165,540 1.159,541 1.166,542 1.146,543 1.29,544 1.309,545 1.387,546 1.168,547 1.242,548 1.222,549 6,551 3.556,552 2.5,553 2.009,554 0.75,555 0.449,556 0.344,557 0.255,558 0.063,559 3963,560 24711,561 1.869,562 15.4,564 4,572 1.651,573 1.65,574 2.946,575 -0.627,582 43.399,583 1.669,584 2.661,585 3.181,586 3.7,587 3.7,588 3.7,589 2.231,590 3.459,591 4.437,592 3.079,593 711.271,594 7.649,595 7703.02,597 1,599 1,600 122.211,601 1.495,602 4.316,603 0.261,605 0.105,606 0.066,607 0.059,608 0.025,609 0.019,610 0.016,611 0.014,612 0.007,613 0.572,614 0.67,615 1,616 0.733,617 99.022,618 0.013,619 0.023,621 0.031,622 -0.011,623 0.024,624 -0.084,625 -0.149,627 -0.202,628 -0.073,629 -0.156,630 -0.165,631 -0.074,632 -0.209,633 -0.105,634 -0.161,635 -0.118,636 -0.148,637 -0.086,638 -0.002,639 -0.06,640 -0.162,641 0.079,642 0.178,643 0.128,644 0.004,645 0.168,646 0.187,647 0.022,648 0.079,649 -0.134,650 0.019,651 -0.066,652 0.106,653 -0.159,654 -0.215,655 -0.259,656 -0.068,657 -0.177,658 -0.212,659 -0.067,660 -0.008,661 0.031,662 -0.139,663 -0.092,664 -0.034,665 -0.213,666 3.514,667 5.411,668 0.545,669 13.587,670 1.121,671 1.174,672 4.177,673 17.447,674 0.705,675 3.178,676 3.555,677 3.807,678 4.007,679 4.174,680 4.078,681 3.989,682 3.97,683 3.892,684 3.807,685 4.91,686 0.783,687 318.18,688 3.178,689 4.745,690 5.602,691 6.497,692 7.372,693 8.265,694 9.147,695 10.039,696 10.924,697 11.816,715 4,720 8,722 12,727 2,740 6,741 26,743 14,744 2,745 23,747 27,748 14,749 12,750 8,751 4,752 2,756 2,757 2,772 14,777 2,782 2,786 2,790 1,791 6,793 4,794 8,796 8,808 1,809 2,829 2,859 2,866 6,868 22,892 6,893 7.7,896 2,901 13.333,902 5.024,903 4.778,904 1.402,907 2.223,908 1.348,909 0.977,910 4.055,911 8.606,912 3.466,913 4.127,914 4.705,915 5.211,916 5.701,917 5.759,918 5.851,919 5.977,920 6.101,921 6.36,922 0.8,923 38,924 8.637,926 4.467,927 0.026,929 9.439,931 13.452,933 10.81,936 3.939,937 86.667,941 47.084,942 109.269,945 50.29,946 89.761,948 109.269,949 97.374,950 89.761,953 37.905,954 60.557,955 61.097,956 89.761,957 47.084,959 47.084,960 109.269,961 140.051,964 136.845,965 50.29,969 109.269,972 136.845,973 50.29,974 109.269,977 47.084,978 71.364,979 37.905,981 140.051,982 47.084,983 140.051,984 109.269,986 0.606,987 0.366,988 0.185,989 0.099,990 16,991 10,992 0.111,993 3,995 1,996 3.119,997 171.515,999 12,1000 76.107,1005 15.785,1006 5.652,1007 2.898,1009 140.051,1010 0.677,1015 -12.516,1018 296.404,1019 31,1024 23.422,1028 -3.695,1031 29.149,1032 30.533,1034 0.355,1035 0.566,1036 0.677,1037 0.787,1038 0.787,1039 0.787,1040 4.727,1041 0.738,1042 5.652,1043 4.108,1044 4.234,1045 4.812,1047 6.518,1048 4.149,1049 5.998,1050 0.31,1051 7.27,1052 1.802,1053 4.111,1054 4.89,1056 7.522,1057 3.963,1058 7.346,1059 0.152,1060 8.983,1061 0.73,1062 5.9,1063 7.078,1065 10.64,1066 5.775,1067 8.727,1068 -0.464,1069 10.745,1070 0.349,1071 6.494,1072 7.864,1074 12.39,1075 6.328,1076 10.131,1077 -0.477,1078 12.537,1079 -1.182,1080 7.854,1081 9.613,1083 15.075,1084 7.708,1085 11.555,1086 -0.818,1087 14.351,1088 -1.192,1089 8.757,1090 10.72,1092 17.157,1093 8.591,1094 12.992,1095 -0.824,1096 16.182,1097 -2.024,1098 9.972,1099 12.297,1101 19.671,1102 9.817,1103 3.215,1104 -1.312,1105 18.025,1106 -2.024,1107 11.011,1108 13.563,1110 21.908,1111 10.848,1112 2.996,1113 11.017,1114 19.878,1115 -3.325,1116 12.176,1117 15.063,1119 24.348,1120 12.02,1121 2.522,1122 9.907,1123 21.741,1124 4.233,1125 13.275,1126 16.408,1128 26.66,1129 13.117,1130 2.095,1131 7.707,1132 23.61,1133 4.081,1134 14.425,1135 17.872,1137 29.067,1138 14.272,1139 2.075,1140 6.108,1141 25.485,1142 3.305,1143 15.551,1144 19.257,1146 31.415,1147 15.399,1148 1.971,1149 5.734,1150 27.365,1151 2.775,1152 16.698,1153 20.704,1155 33.809,1156 16.55,1157 1.414,1158 5.715,1159 29.249,1160 2.736,1161 17.837,1162 22.111,1164 36.176,1165 17.693,1166 4141,1167 10414,1168 13.759,1169 18.341,1170 35.71,1171 39.69,1172 37.945,1173 35.13,1174 34.977,1175 46.543,1177 106.35,1178 33.121,1179 5.407,1180 5.885,1181 5.803,1182 5.214,1183 5.215,1184 7.233,1186 18.686,1187 5.219,1188 15.711,1189 1.553,1190 1.726,1191 1.65,1192 1.527,1193 1.521,1194 2.024,1196 4.624,1197 1.44,1198 4.004,1199 4.014,1200 3.994,1201 3.905,1202 8.246,1203 3.922,1204 3.888,1205 3.908,1206 3.876,1207 3.792,1208 8.238,1209 3.806,1210 3.415,1211 3.404,1212 3.407,1213 3.219,1214 8.2,1215 3.26,1216 2.976,1217 3.013,1218 2.993,1219 2.749,1220 8.198,1221 2.778,1222 2.972,1223 3.011,1224 2.985,1225 2.727,1226 8.16,1227 2.77,1228 2.907,1229 2.934,1230 2.867,1231 2.727,1232 8.16,1233 2.759,1234 2.597,1235 2.635,1236 2.548,1237 2.347,1238 7.496,1239 2.382,1240 2.283,1241 2.25,1242 2.277,1243 1.773,1244 7.352,1245 1.896,1246 0.199,1247 0.169,1248 0.296,1249 0.183,1250 0.14,1251 4.568,1252 0.184,1253 3.885,1255 6.803,1256 0.479,1257 4.214,1258 0.14,1259 3.215,1260 4.233,1262 11.017,1263 3.219,1264 1.92,1265 1.911,1266 1.961,1267 2.033,1268 1.068,1269 2.007,1270 1.832,1271 1.816,1272 1.886,1273 1.946,1274 0.991,1275 1.924,1276 1.277,1277 1.282,1278 1.33,1279 1.498,1280 0.313,1281 1.435,1282 0.838,1283 0.806,1284 1.037,1285 1.08,1286 0.105,1287 1.031,1288 0.802,1289 0.77,1290 0.939,1291 1.08,1293 1.013,1294 0.792,1295 0.766,1296 0.848,1297 1.03,1299 0.985,1300 0.469,1301 0.438,1302 0.631,1303 0.771,1305 0.735,1308 0.091,1309 0.471,1311 0.338,1312 3.85,1314 5.209,1316 6.76,1318 8.402,1320 10.089,1324 78.778,1340 20.363,1341 43.399,1342 69.192,1343 82.702,1344 96.211,1345 96.211,1346 96.211,1347 107.137,1348 6.384,1349 34.14,1350 34.14,1351 12,1352 12.344,1353 3.907,1354 3.17,1355 41.954,1356 65,1357 50,1358 0.329,1359 122.039,1360 237.12,1361 289.535,1362 3903,1363 23.1,1364 16.602,1365 0.755,1366 0.472,1367 11.38,1368 10.394,1369 10.218,1370 0.444,1371 0.244,1372 5.422,1373 9.425,1374 5.428,1375 4.387,1376 7.788,1377 5.602,1378 9.872,1379 0.29,1380 0.122,1381 6.514,1382 4.157,1383 8.223,1384 0.187,1385 0.061,1386 5.616,1387 2.681,1388 6.26,1389 0.116,1390 0.031,1391 4.179,1392 1.687,1393 4.777,1394 0.075,1395 0.016,1396 3.131,1397 1.017,1398 0.495,1399 67.66,1400 0.27,1401 21.093,1402 0.97,1403 114,1404 814.138,1405 141.192,1406 616.941,1407 753.58,1408 562,1409 135,1410 487.273,1411 161.392,1412 453.429,1413 668.98,1414 424,1415 4}
{0 CHEMBL242931,1 1.669,2 8.545,3 4.353,4 18.949,5 63.371,6 12.238,7 0.522,8 3.439,9 3.482,10 3.35,11 3.013,12 5.067,13 3.107,14 3.898,15 3.953,16 3.784,17 3.321,18 5.646,19 3.457,20 4.227,21 4.313,22 4.078,23 3.337,24 6.498,25 3.545,26 4.135,27 4.226,28 3.879,29 3.11,30 6.385,31 3.348,32 3.905,33 3.974,34 3.644,35 2.94,36 6.169,37 3.157,38 3.718,39 3.772,40 3.569,41 2.871,42 6.034,43 3.064,44 3.706,45 3.817,46 3.481,47 2.773,48 5.936,49 2.962,50 3.602,51 3.759,52 3.291,53 2.437,54 5.799,55 2.688,56 0.599,57 0.882,58 0.152,59 2.516,60 121.96,61 1.363,62 1.022,63 1.398,64 0.3,65 3.992,66 207.653,67 2.162,68 1.823,69 2.046,70 4.534,71 5.424,72 360.781,73 3.097,74 1.716,75 1.431,76 5.03,77 4.777,78 346.81,79 2.339,80 1.288,81 0.861,82 4.156,83 3.596,84 276.301,85 1.651,86 0.999,87 0.926,88 1.498,89 3.054,90 210.41,91 1.521,92 1.095,93 1.131,94 2.848,95 3.301,96 212.735,97 2.023,98 1.118,99 1.137,100 4.702,101 3.075,102 211.692,103 2.022,104 65,105 34,106 0.325,107 0.519,108 0.62,109 0.721,110 0.721,111 0.721,112 3.147,113 0.732,114 -5.41,115 -5.29,116 -4.94,121 53.8,144 4,145 2,146 6,159 2,176 4,180 2,187 2,191 1,192 4,200 1,206 4,214 2,219 2,227 3,239 2,251 1,281 584,282 13.88,283 13.88,284 13.88,285 13.88,286 13.88,287 11.941,288 7.304,289 7.612,290 14.105,291 11.131,292 11.131,293 11.131,294 11.131,295 11.131,296 8.27,297 4.175,298 3.472,299 11.654,300 3.031,301 2.039,302 1.52,303 1,304 1,305 1,306 3.791,311 1,312 1,313 382,314 3.162,318 154.934,325 1.223,326 79.584,329 0.75,330 1,331 1,332 0.4,334 1,335 1,336 0.74,337 55,338 188,339 4.58,340 3.888,341 6.828,342 4.219,343 3.227,344 4.257,346 11.068,347 3.218,348 4.425,349 3.528,350 6.58,351 3.99,352 3.046,353 4.132,355 10.154,356 2.866,357 4.021,358 3.417,359 6.126,360 3.628,361 2.662,362 3.447,364 8.51,365 2.522,366 3.595,367 2.95,368 5.693,369 3.194,370 2.24,371 2.94,373 7.186,374 2.112,375 3.198,376 2.621,377 5.075,378 2.752,379 1.824,380 2.414,382 5.27,383 1.663,384 3.05,385 2.552,386 4.64,387 2.597,388 1.66,389 2.25,391 4.416,392 1.531,393 2.89,394 1.98,395 4.323,396 2.407,397 1.414,398 2.023,400 3.727,401 1.387,402 2.355,403 1.968,404 3.55,405 1.754,406 0.7,407 1.029,409 1.665,410 0.715,411 1.446,412 1.419,413 2.872,414 1.076,415 0.289,416 0.318,418 0.628,419 0.22,420 1.445,421 1.419,422 2.786,423 1.076,424 0.284,425 0.315,427 0.615,428 0.218,429 1.253,430 0.551,431 2.742,432 0.83,433 -0.101,434 -0.128,436 -0.239,437 -0.091,438 1.247,439 0.517,440 2.464,441 0.767,442 -0.225,443 -0.326,445 -0.502,446 -0.215,447 0.29,448 -0.308,449 2,450 -0.154,451 -1.135,452 -1.361,454 -2.789,455 -0.942,456 0.155,457 -0.36,458 1.538,459 -0.23,460 -1.138,461 -1.367,463 -2.807,464 -0.943,465 0.037,466 -0.368,467 1.535,468 -0.346,469 -1.295,470 -1.655,472 -3.28,473 -1.186,474 9.381,475 0.426,476 0.834,477 0.038,478 28.5,479 1.295,480 15,481 0.682,482 13.5,483 0.614,484 14.423,485 0.656,486 24.819,487 0.955,488 25.964,489 1.18,490 6.398,491 0.291,492 3.854,493 0.175,494 0.254,496 0.533,499 6,501 0.626,502 0.752,503 0.464,504 0.855,505 0.655,506 0.767,507 0.804,508 0.967,509 0.596,510 1.1,511 0.827,512 0.986,513 0.873,514 0.935,515 0.756,516 1.055,517 0.871,518 0.99,519 1.165,520 0.948,521 1.288,522 0.995,523 1.183,524 1.055,525 1.092,526 0.818,527 1.263,528 0.769,529 1.156,530 0.854,531 0.809,532 0.986,533 0.79,534 0.983,535 0.823,536 1.017,537 0.954,538 1.171,539 1.026,540 1.139,541 0.898,542 1.237,543 1.29,544 1.309,545 1.387,546 1.168,547 1.222,548 1.222,549 5,550 0.041,551 4.444,552 2.5,553 1.849,554 0.861,555 0.527,556 0.361,557 0.271,558 0.111,559 4059,560 25479,561 1.869,562 15.4,564 4,572 1.649,573 1.65,574 3.088,575 -0.627,582 43.399,583 1.669,584 2.661,585 3.181,586 3.7,587 3.7,588 3.7,589 2.482,590 3.459,591 4.435,592 3.178,593 734.153,594 7.635,595 7856.04,597 1,599 1,600 122.211,601 1.495,602 4.316,603 0.217,604 0.01,605 0.131,606 0.063,607 0.058,608 0.033,609 0.022,610 0.017,611 0.017,612 0.011,613 0.579,614 0.67,615 1,616 0.733,617 99.474,618 0.013,619 0.023,621 0.031,622 -0.01,623 0.024,624 -0.084,625 -0.149,627 -0.202,628 -0.1,629 -0.156,630 0.068,631 0.014,632 0.177,633 -0.103,634 0.072,635 -0.042,636 -0.178,637 -0.026,638 -0.268,639 -0.044,640 -0.173,641 -0.085,642 -0.17,643 -0.021,644 -0.317,645 0.148,646 -0.173,647 0.079,648 0.079,649 -0.134,650 0.019,651 -0.066,652 0.093,653 -0.159,654 0.036,655 -0.168,656 0.077,657 -0.156,658 0.059,659 -0.163,660 -0.143,661 -0.171,662 0.046,663 -0.123,664 -0.132,665 0.039,666 3.663,667 5.417,668 0.545,669 14.05,670 1.121,671 1.174,672 4.177,673 17.447,674 0.705,675 3.178,676 3.555,677 3.85,678 3.97,679 4.111,680 4.111,681 4.025,682 3.932,683 3.912,684 3.85,685 5.066,686 0.783,687 318.18,688 3.178,689 4.745,690 5.617,691 6.503,692 7.387,693 8.276,694 9.163,695 10.052,696 10.94,697 11.83,715 4,720 8,722 12,727 2,740 6,741 26,743 14,744 2,745 23,747 27,748 14,749 12,750 8,751 4,752 2,756 2,757 2,772 14,777 2,782 2,786 2,790 1,791 6,793 4,794 8,796 8,808 1,809 2,829 2,859 2,866 6,868 22,892 6,893 7.7,896 2,901 13.333,902 5.024,903 4.833,904 1.416,907 2.209,908 1.346,909 0.977,910 4.055,911 8.593,912 3.466,913 4.127,914 4.732,915 5.186,916 5.655,917 5.811,918 5.884,919 5.933,920 6.113,921 6.386,922 0.833,923 40,924 8.649,926 4.501,927 0.026,929 9.439,931 13.452,933 10.82,936 3.939,937 86.667,941 47.084,942 109.269,945 50.29,946 89.761,948 109.269,949 97.374,950 89.761,953 37.905,954 60.557,955 61.097,956 89.761,957 47.084,959 47.084,960 109.269,961 140.051,964 136.845,965 50.29,969 109.269,972 136.845,973 50.29,974 109.269,977 47.084,978 71.364,979 37.905,981 140.051,982 47.084,983 140.051,984 109.269,986 0.61,987 0.386,988 0.176,989 0.084,990 16,991 10,992 0.111,993 3,995 1,996 3.13,997 170.933,999 12,1000 76.107,1005 15.785,1006 5.652,1007 2.637,1009 140.051,1010 1.735,1015 -13.39,1018 296.404,1019 31,1024 23.433,1028 -3.47,1031 29.149,1032 30.533,1034 0.355,1035 0.566,1036 0.677,1037 0.787,1038 0.787,1039 0.787,1040 4.727,1041 0.7,1042 5.666,1043 3.727,1044 4.234,1045 4.812,1047 6.547,1048 4.149,1049 5.998,1050 0.289,1051 7.303,1052 1.665,1053 4.111,1054 4.89,1056 7.609,1057 3.963,1058 7.352,1059 0.284,1060 9.037,1061 0.628,1062 5.922,1063 7.093,1065 10.725,1066 5.787,1067 8.741,1068 -0.101,1069 10.821,1070 0.615,1071 6.553,1072 7.914,1074 12.518,1075 6.362,1076 10.157,1077 -0.225,1078 12.634,1079 -0.239,1080 7.913,1081 9.659,1083 15.196,1084 7.738,1085 11.592,1086 -1.135,1087 14.466,1088 -0.502,1089 8.846,1090 10.798,1092 17.292,1093 8.633,1094 13.042,1095 -1.138,1096 16.312,1097 -2.789,1098 10.061,1099 12.372,1101 19.804,1102 9.855,1103 3.227,1104 -1.295,1105 18.168,1106 -2.807,1107 11.117,1108 13.659,1110 22.043,1111 10.888,1112 3.046,1113 11.068,1114 20.032,1115 -3.28,1116 12.283,1117 15.159,1119 24.484,1120 12.056,1121 2.662,1122 10.154,1123 21.903,1124 4.257,1125 13.39,1126 16.518,1128 26.794,1129 13.151,1130 2.24,1131 8.51,1132 23.779,1133 4.132,1134 14.543,1135 17.984,1137 29.203,1138 14.302,1139 1.824,1140 7.186,1141 25.659,1142 3.447,1143 15.673,1144 19.38,1146 31.551,1147 15.427,1148 1.66,1149 5.27,1150 27.544,1151 2.94,1152 16.822,1153 20.83,1155 33.947,1156 16.575,1157 1.414,1158 4.416,1159 29.431,1160 2.414,1161 17.964,1162 22.245,1164 36.314,1165 17.715,1166 4235,1167 10688,1168 13.759,1169 18.341,1170 35.052,1171 39.429,1172 38.323,1173 34.603,1174 34.693,1175 46.249,1177 106.478,1178 32.907,1179 5.417,1180 5.888,1181 6.102,1182 5.219,1183 5.227,1184 7.257,1186 18.829,1187 5.218,1188 15.804,1189 1.524,1190 1.714,1191 1.666,1192 1.504,1193 1.508,1194 2.011,1196 4.629,1197 1.431,1198 4.003,1199 4.014,1200 3.994,1201 3.905,1202 8.264,1203 3.922,1204 3.889,1205 3.908,1206 3.879,1207 3.792,1208 8.255,1209 3.806,1210 3.423,1211 3.411,1212 3.426,1213 3.218,1214 8.191,1215 3.265,1216 2.947,1217 2.982,1218 2.956,1219 2.747,1220 8.191,1221 2.784,1222 2.931,1223 2.982,1224 2.888,1225 2.73,1226 8.149,1227 2.751,1228 2.93,1229 2.964,1230 2.88,1231 2.73,1232 8.148,1233 2.751,1234 2.646,1235 2.671,1236 2.642,1237 2.344,1238 7.496,1239 2.404,1240 2.304,1241 2.265,1242 2.305,1243 1.772,1244 7.352,1245 1.907,1246 0.199,1247 0.169,1248 0.297,1249 0.183,1250 0.14,1251 4.58,1252 0.185,1253 3.888,1255 6.828,1256 0.481,1257 4.219,1258 0.14,1259 3.227,1260 4.257,1262 11.068,1263 3.218,1264 1.921,1265 1.912,1266 1.965,1267 2.033,1268 1.069,1269 2.008,1270 1.832,1271 1.816,1272 1.89,1273 1.946,1274 0.993,1275 1.925,1276 1.27,1277 1.278,1278 1.303,1279 1.499,1280 0.269,1281 1.428,1282 0.828,1283 0.788,1284 0.977,1285 1.074,1286 0.013,1287 1.041,1288 0.828,1289 0.786,1290 0.972,1291 1.074,1293 1.041,1294 0.802,1295 0.786,1296 0.888,1297 1.036,1299 0.971,1300 0.435,1301 0.417,1302 0.602,1303 0.779,1305 0.696,1308 0.195,1309 0.475,1311 0.32,1312 3.85,1314 5.209,1316 6.774,1318 8.427,1320 10.12,1324 78.359,1340 20.363,1341 43.399,1342 69.192,1343 82.702,1344 96.211,1345 96.211,1346 96.211,1347 102.352,1348 6.384,1349 34.14,1350 34.14,1351 12,1352 12.359,1353 3.907,1354 3.17,1355 42.089,1356 67,1357 60,1358 0.321,1359 122.039,1360 237.12,1361 289.535,1362 3903,1363 23.1,1364 16.602,1365 0.755,1366 0.472,1367 11.38,1368 10.394,1369 10.252,1370 0.446,1371 0.244,1372 5.434,1373 9.489,1374 5.444,1375 4.407,1376 7.788,1377 5.614,1378 9.592,1379 0.282,1380 0.121,1381 6.514,1382 4.104,1383 8.895,1384 0.193,1385 0.06,1386 5.616,1387 2.766,1388 6.042,1389 0.116,1390 0.032,1391 4.179,1392 1.647,1393 4.205,1394 0.07,1395 0.017,1396 3.131,1397 0.991,1398 0.486,1399 67.862,1400 0.27,1401 21.209,1402 0.93,1403 114,1404 814.138,1405 141.192,1406 616.737,1407 754.9,1408 562,1409 137,1410 489.273,1411 166.397,1412 455.433,1413 677.16,1414 426,1415 4}
{0 CHEMBL242932,1 1.703,2 10.25,3 5.005,4 25.046,5 74.02,6 10.82,7 0.48,8 3.609,9 3.673,10 3.428,11 3.172,12 5.047,13 3.235,14 4.171,15 4.26,16 3.992,17 3.509,18 6.418,19 3.596,20 4.295,21 4.408,22 3.928,23 3.596,24 6.058,25 3.668,26 4.441,27 4.6,28 3.837,29 3.427,30 6.222,31 3.55,32 4.208,33 4.371,34 3.517,35 3.182,36 5.91,37 3.3,38 3.769,39 3.86,40 3.377,41 3.09,42 5.367,43 3.164,44 3.962,45 4.079,46 3.616,47 3.061,48 6.223,49 3.16,50 3.865,51 4.019,52 3.472,53 2.862,54 6.155,55 2.964,56 0.492,57 0.927,58 1.305,59 3.311,60 110.942,61 2.374,62 1.477,63 2,64 4.87,65 5.524,66 285.339,67 3.791,68 1.156,69 1.508,70 6.05,71 6.447,72 223.318,73 5.561,74 1.823,75 1.486,76 13.642,77 7.056,78 348.022,79 5.074,80 1.559,81 1.017,82 13.589,83 5.344,84 318.227,85 3.452,86 0.689,87 0.834,88 3.074,89 3.614,90 147.793,91 2.558,92 1.147,93 0.886,94 6.315,95 4.242,96 240.858,97 3.762,98 1.122,99 0.795,100 8.555,101 3.88,102 235.675,103 3.984,104 69,105 38,106 0.318,107 0.504,108 0.551,109 0.598,110 0.598,111 0.598,112 3.228,113 0.772,114 -5.88,115 -5.73,116 -5.34,121 50,134 2,144 8,145 4,159 2,176 12,180 2,187 12,191 1,192 6,200 7,206 8,214 4,219 6,227 8,232 2,239 10,251 8,264 4,277 1,281 804,282 14.72,283 14.72,284 14.72,285 14.72,286 14.72,287 13.229,288 10.657,289 8.13,290 15.175,291 12.25,292 12.25,293 12.25,294 12.25,295 12.25,296 9.845,297 8.897,298 3.782,299 13.109,300 3.297,301 2.297,302 2.047,303 1.797,304 1.797,305 1.797,306 3.875,311 1,312 1,313 498,314 4.472,318 180.649,325 1.792,326 72.955,329 0.75,330 0.83,331 1,332 0.4,333 0.5,334 1,335 1,336 0.78,337 59,338 246,339 4.483,340 4.46,341 7.112,342 4.194,343 3.319,344 3.998,345 3.825,346 11.66,347 3.15,348 4.439,349 4.46,350 7.111,351 4.171,352 3.313,353 3.842,354 3.825,355 11.658,356 2.881,357 4.306,358 3.836,359 6.524,360 4.029,361 3.018,362 3.591,364 10.016,365 2.82,366 3.844,367 2.985,368 5.703,369 3.463,370 2.474,371 3.207,373 7.585,374 2.418,375 3.311,376 2.308,377 4.785,378 2.865,379 1.904,380 2.527,382 5.24,383 1.787,384 2.984,385 2.263,386 4.625,387 2.562,388 1.628,389 2.097,391 4.767,392 1.469,393 2.688,394 1.7,395 4.354,396 2.223,397 1.238,398 1.716,400 3.671,401 1.19,402 2.5,403 1.694,404 3.414,405 2,406 1,407 1.5,409 2.275,410 1,411 2.5,412 1,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.242,421 1,422 3.325,423 1.595,424 0.493,425 0.794,427 1.176,428 0.535,429 0.92,430 0.51,431 2.786,432 0.496,433 -0.502,434 -0.658,436 -1.203,437 -0.496,438 0.919,439 0.51,440 2.639,441 0.482,442 -0.54,443 -0.768,445 -1.253,446 -0.549,447 0.5,448 0.51,449 2.141,451 -1,452 -1,454 -3,455 -0.7,456 0.5,457 0.51,458 2,460 -1,461 -1,463 -3,464 -0.7,465 0.213,466 0.047,467 2,468 -0.214,469 -1,470 -1,472 -3,473 -0.7,474 10.381,475 0.433,476 1.088,477 0.045,478 29.5,479 1.229,480 15,481 0.625,482 14.5,483 0.604,484 16.414,485 0.684,486 27.419,487 0.857,488 27.932,489 1.164,490 6.443,491 0.268,492 4.555,493 0.19,494 0.229,495 0.096,496 0.289,498 6,501 0.572,502 0.787,503 0.487,504 0.935,505 0.668,506 0.836,507 0.407,508 0.574,509 0.527,510 0.896,511 0.445,512 0.949,513 0.619,514 0.863,515 0.675,516 1.2,517 0.596,518 1.195,519 1.267,520 1.002,521 1.366,522 1.042,523 1.242,524 1.137,525 1.424,526 0.788,527 1.561,528 0.66,529 1.482,530 0.842,531 0.773,532 0.763,533 0.885,534 1.083,535 0.885,536 1.161,537 0.465,538 0.863,539 0.654,540 1.047,541 0.487,542 1.149,543 0.439,544 0.873,545 0.559,546 0.897,547 0.421,548 0.957,549 8,550 0.108,551 4.444,552 2.25,553 1.324,554 1.069,555 0.568,556 0.424,557 0.329,558 0.2,559 5861,560 34449,561 1.861,562 25,564 8,572 1.665,573 1.655,574 3.31,575 -0.658,582 54.49,583 1.703,584 2.703,585 2.953,586 3.203,587 3.203,588 3.203,589 2.689,590 2.855,591 4.555,592 3.521,593 971.909,594 7.84,595 11618.7,597 1,600 160,601 1.855,602 4.433,603 0.32,604 0.008,605 0.117,606 0.059,607 0.041,608 0.045,609 0.026,610 0.018,611 0.016,612 0.012,613 0.661,614 0.67,615 0.88,616 1.018,617 115.095,618 0.007,619 0.02,620 0.001,621 0.03,622 -0.078,623 0.024,624 0.443,625 0.43,626 0.156,627 0.09,628 0.392,629 -0.108,630 0.041,631 -0.155,632 0.121,633 -0.269,634 0.081,635 -0.176,636 -0.329,637 -0.141,638 -0.296,639 -0.098,640 -0.294,641 -0.086,642 -0.453,643 0.026,644 -0.442,645 0.274,646 -0.472,647 0.216,648 -0.113,649 -0.093,650 -0.164,651 -0.17,652 -0.182,653 -0.219,654 0.397,655 -0.066,656 0.313,657 -0.113,658 0.393,659 -0.136,660 0.477,661 -0.078,662 0.612,663 0.047,664 0.511,665 0.188,666 5.834,667 4.935,668 0.5,669 22.083,670 1.091,671 1.168,672 4.647,673 21.594,674 0.683,675 3.258,676 3.664,677 3.807,678 3.892,679 4.043,680 4.174,681 4.29,682 4.043,683 3.97,684 3.892,685 6.281,686 0.732,687 346.24,688 3.258,689 4.844,690 5.673,691 6.567,692 7.414,693 8.303,694 9.156,695 10.043,696 10.9,697 11.784,715 8,720 4,722 12,727 2,741 32,743 14,744 2,745 25,747 33,748 16,749 12,750 4,751 8,752 2,756 2,757 2,763 2,769 2,772 14,773 2,777 2,782 2,786 2,791 6,793 8,794 8,796 8,808 1,809 2,829 2,859 2,866 6,868 24,882 2,892 6,893 6.3,896 2,901 14.5,902 5.857,903 5,904 1.721,907 2.141,908 1.326,909 0.965,910 4.533,911 8.697,912 3.526,913 4.127,914 4.649,915 5.08,916 5.573,917 5.804,918 6.146,919 5.929,920 6.019,921 6.306,922 0.857,923 38,924 9.959,926 5.434,927 0.026,929 9.271,931 14.971,933 12.05,936 3.771,937 90.5,941 94.169,942 114.338,945 50.29,946 89.761,948 114.338,949 144.459,950 89.761,953 75.81,954 60.557,955 102.503,957 94.169,958 15.519,959 94.169,960 114.338,961 140.051,964 94.169,965 140.051,968 15.519,969 98.819,972 183.929,973 50.29,974 114.338,977 109.688,978 23.009,979 75.81,981 140.051,982 94.169,983 140.051,984 114.338,986 0.618,987 0.335,988 0.14,989 0.068,990 18,991 10,992 0.091,993 3,995 1,996 3.402,997 185.231,999 12,1000 68.529,1005 17.752,1006 6.128,1007 4.042,1009 140.051,1010 5.946,1015 -2.539,1018 348.558,1019 33,1024 23.87,1028 -2.216,1031 34.916,1032 37.363,1034 0.341,1035 0.541,1036 0.591,1037 0.641,1038 0.641,1039 0.641,1040 4.812,1041 1,1042 5.784,1043 3.671,1044 4.344,1045 4.812,1046 3.706,1047 6.686,1048 4.232,1049 6.088,1050 1,1051 7.437,1052 2.275,1053 4.443,1054 4.844,1055 4.586,1056 8.102,1057 4.113,1058 7.446,1059 0.493,1060 9.206,1061 2.275,1062 6.151,1063 7.004,1064 6.111,1065 11.03,1066 5.893,1067 8.837,1068 -0.502,1069 11.04,1070 1.176,1071 6.948,1072 7.718,1073 7.382,1074 13.125,1075 6.489,1076 10.254,1077 -0.54,1078 12.911,1079 -1.203,1080 8.291,1081 9.464,1082 8.751,1083 15.713,1084 7.849,1085 11.688,1086 -1,1087 14.805,1088 -1.253,1089 9.331,1090 10.472,1091 10.082,1092 18.029,1093 8.733,1094 13.136,1095 -1,1096 16.714,1097 -3,1098 10.565,1099 12.039,1100 11.427,1101 20.518,1102 9.937,1103 3.319,1104 -1,1105 18.635,1106 -3,1107 11.693,1108 13.197,1109 12.767,1110 22.914,1111 10.945,1112 3.313,1113 11.66,1114 20.562,1115 -3,1116 12.892,1117 14.674,1118 14.11,1119 25.372,1120 12.089,1121 3.018,1122 11.658,1123 22.496,1124 3.998,1125 14.056,1126 15.915,1127 15.451,1128 27.799,1129 13.154,1130 2.474,1131 10.016,1132 24.434,1133 3.842,1134 15.245,1135 17.342,1136 16.793,1137 30.249,1138 14.278,1139 1.904,1140 7.585,1141 26.375,1142 3.591,1143 16.423,1144 18.632,1145 18.134,1146 32.689,1147 15.369,1148 1.628,1149 5.24,1150 28.319,1151 3.207,1152 17.611,1153 20.032,1154 19.476,1155 35.138,1156 16.487,1157 1.238,1158 4.767,1159 30.265,1160 2.527,1161 18.795,1162 21.352,1163 20.818,1164 37.584,1165 17.594,1166 6053,1167 14776,1168 14.909,1169 21.864,1170 40.193,1171 39.235,1172 39.934,1173 39.325,1174 38.774,1175 49.544,1176 15.301,1177 120.645,1178 36.5,1179 5.315,1180 6.46,1181 6.526,1182 5.194,1183 5.319,1184 6.998,1185 5.335,1186 18.845,1187 5.15,1188 17.55,1189 1.608,1190 1.569,1191 1.597,1192 1.573,1193 1.551,1194 1.982,1195 0.612,1196 4.826,1197 1.46,1198 4.006,1199 4.021,1200 3.972,1201 3.931,1202 8.517,1203 3.935,1204 3.899,1205 3.924,1206 3.862,1207 3.829,1208 8.509,1209 3.829,1210 3.526,1211 3.531,1212 3.543,1213 3.311,1214 7.999,1215 3.356,1216 3.31,1217 3.349,1218 3.333,1219 3.017,1220 7.999,1221 3.074,1222 3.103,1223 3.127,1224 3.1,1225 2.735,1226 7.999,1227 2.813,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 7.999,1233 2.715,1234 2.854,1235 2.925,1236 2.687,1237 2.728,1238 7.496,1239 2.715,1240 2.645,1241 2.663,1242 2.617,1243 2.313,1244 7.352,1245 2.389,1246 0.179,1247 0.178,1248 0.284,1249 0.168,1250 0.133,1251 4.483,1252 0.16,1253 4.46,1254 0.153,1255 7.112,1256 0.466,1257 4.194,1258 0.126,1259 3.319,1260 3.998,1261 3.825,1262 11.66,1263 3.15,1264 1.955,1265 1.94,1266 2.036,1267 2.046,1268 1.138,1269 2.04,1270 1.882,1271 1.86,1272 1.978,1273 1.973,1274 1.084,1275 1.972,1276 1.361,1277 1.363,1278 1.387,1279 1.605,1280 0.429,1281 1.522,1282 1.081,1283 1.057,1284 1.181,1285 1.418,1286 0.226,1287 1.31,1288 0.886,1289 0.821,1290 1.181,1291 1.236,1292 0.218,1293 1.126,1294 0.886,1295 0.821,1296 1.13,1297 1.062,1298 0.218,1299 1.107,1300 0.824,1301 0.801,1302 0.879,1303 1.062,1305 1.107,1306 0.434,1307 0.398,1308 0.59,1309 0.791,1311 0.737,1312 3.932,1314 5.313,1316 6.87,1318 8.492,1320 10.145,1324 74.608,1334 -9.169,1340 23.417,1341 54.49,1342 86.49,1343 94.49,1344 102.49,1345 102.49,1346 102.49,1347 100.439,1348 6.557,1349 34.14,1350 34.14,1351 12,1352 12.322,1353 3.907,1354 3.17,1355 48.71,1356 90,1357 72,1358 0.269,1359 141.224,1360 271.72,1361 336.346,1362 5117,1363 18.8,1364 18.121,1365 0.755,1366 0.488,1367 13.121,1368 11.703,1369 10.998,1370 0.44,1371 0.257,1372 6.255,1373 10.279,1374 6.237,1375 5.067,1376 8.575,1377 6.435,1378 11.674,1379 0.307,1380 0.127,1381 7.758,1382 4.808,1383 8.31,1384 0.189,1385 0.072,1386 6.438,1387 3.155,1388 5.881,1389 0.123,1390 0.039,1391 4.482,1392 1.883,1393 4.137,1394 0.074,1395 0.021,1396 3.565,1397 1.184,1398 0.425,1399 71.643,1400 0.259,1401 23.555,1402 0.728,1403 126,1404 818.138,1405 164.241,1406 621.3,1407 762.82,1408 566,1409 145,1410 491.273,1411 170.714,1412 459.032,1413 708.64,1414 428,1415 4}
{0 CHEMBL243044,1 1.413,2 22.524,3 4.79,4 22.943,5 173.236,6 6.41,7 0.273,8 4.546,9 4.681,10 3.96,11 4.032,12 5.551,13 3.984,14 5.103,15 5.308,16 4.209,17 4.391,18 6.021,19 4.303,20 5.365,21 5.618,22 4.301,23 4.518,24 6.258,25 4.399,26 5.419,27 5.679,28 4.219,29 4.513,30 6.292,31 4.371,32 5.436,33 5.711,34 4.11,35 4.509,36 6.287,37 4.338,38 5.43,39 5.722,40 4.007,41 4.453,42 6.204,43 4.275,44 5.315,45 5.592,46 3.971,47 4.387,48 6.116,49 4.218,50 5.269,51 5.54,52 3.943,53 4.353,54 6.072,55 4.186,56 0.096,57 1.237,58 21.555,59 8.631,60 14.613,61 12.183,62 0.322,63 1.919,64 38.254,65 13.533,66 35.382,67 19.842,68 0.49,69 2.297,70 49.71,71 17.038,72 61.699,73 25.52,74 0.732,75 2.34,76 53.032,77 17.407,78 71.042,79 26.211,80 0.632,81 2.348,82 53.391,83 18.207,84 83.226,85 27.345,86 0.606,87 2.243,88 53.198,89 17.523,90 68.672,91 26.508,92 0.56,93 2.043,94 47.391,95 16.346,96 60.531,97 24.089,98 0.458,99 1.953,100 45.097,101 15.78,102 54.57,103 23.243,104 21,105 54,106 0.212,107 0.51,108 0.687,109 0.773,110 0.808,111 0.827,112 3.764,113 1.038,114 -3.67,115 -3.63,116 -3.46,121 37.8,123 8,126 2,127 6,137 2,140 2,144 8,145 2,146 2,158 2,176 14,180 7,185 7,187 12,191 1,192 7,196 1,197 7,200 7,206 3,209 4,211 7,214 4,219 2,222 2,224 6,227 8,232 4,237 2,239 12,244 5,247 1,248 1,249 3,251 14,256 5,261 3,264 10,269 5,274 5,277 7,281 4984,282 29.053,283 29.053,284 29.053,285 29.053,286 29.053,287 26.77,288 36.678,289 18.342,290 29.655,291 21.652,292 21.652,293 21.652,294 21.652,295 21.652,296 18.093,297 47.791,298 8.623,299 22.406,300 5.078,301 3.086,302 1.909,303 1.331,304 1.1,305 0.972,306 4.452,312 1,313 1970,314 4.899,318 561.919,325 4.404,326 35.866,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 90,338 946,339 4.381,340 3.581,341 6.25,342 3.974,343 2.988,344 3.846,345 0.86,346 9.366,347 2.947,348 4.192,349 3.133,350 6.129,351 3.805,352 2.837,353 3.8,354 0.86,355 8.98,356 2.746,357 4.192,358 3.133,359 6.129,360 3.805,361 2.837,362 3.8,363 0.657,364 8.98,365 2.746,366 3.773,367 2.889,368 5.741,369 3.392,370 2.422,371 3.014,372 0.657,373 7.583,374 2.34,375 3.266,376 2.437,377 4.559,378 2.893,379 1.913,380 2.385,381 0.6,382 4.72,383 1.877,384 2.992,385 2.217,386 4.415,387 2.889,388 1.91,389 2.121,390 0.4,391 4.362,392 1.87,393 2.989,394 2.217,395 4.415,396 2.738,397 1.767,398 2.121,400 4.362,401 1.708,402 2.917,403 1.966,404 3.947,405 2.675,406 1.722,407 2.076,409 3.792,410 1.637,411 2.917,412 1.877,413 3.885,414 2.621,415 1.651,416 2.076,418 3.716,419 1.594,420 2.884,421 1.81,422 3.766,423 2.479,424 1.524,425 1.897,427 3.291,428 1.448,429 2.84,430 1.656,431 3.651,432 2.461,433 1.493,434 1.856,436 3.139,437 1.437,438 2.68,439 1.591,440 3.627,441 2.439,442 1.451,443 1.65,445 3.039,446 1.429,447 2.53,448 1.485,449 3.562,450 2.377,451 1.39,452 1.522,454 2.949,455 1.369,456 2.391,457 1.431,458 3.428,459 2.098,460 1.144,461 1.299,463 2.508,464 1.086,465 2.111,466 1.144,467 3.208,468 1.962,469 1,470 1.072,472 2.12,473 0.959,474 19.933,475 0.475,476 0.554,477 0.013,478 44.5,479 1.06,480 19,481 0.452,482 25.5,483 0.607,484 44.297,485 1.055,486 48.467,487 0.539,488 35.223,489 0.839,490 8.872,491 0.211,492 11.746,493 0.28,494 0.084,496 0.201,501 0.909,502 1.394,503 0.976,504 1.245,505 0.759,506 1.132,507 1.122,508 1.195,509 1.081,510 1.117,511 0.724,512 1.089,513 0.843,514 1.116,515 0.912,516 1.048,517 0.748,518 0.993,519 1.027,520 1.069,521 1.059,522 1.044,523 0.912,524 1.053,525 0.876,526 1.057,527 1.051,528 1.069,529 0.957,530 1.078,531 1.068,532 0.893,533 1.025,534 0.913,535 1.259,536 0.952,537 1.045,538 0.897,539 1.052,540 0.971,541 1.269,542 1.007,543 1.049,544 1.016,545 1.047,546 1.034,547 1.303,548 1.044,549 5,550 0.132,551 3.556,552 1.75,553 1.609,554 0.764,555 0.446,556 0.33,557 0.254,558 0.202,559 41774,560 95172,561 2.023,562 53.3,563 8,564 28,567 4,569 8,572 1.801,573 1.938,574 4.368,575 1.344,582 127.215,583 1.413,584 3.406,585 4.583,586 5.161,587 5.392,588 5.52,589 3.785,590 4.166,591 5.36,592 4.684,593 4033.35,594 9.416,595 91289.7,600 584.267,601 1.125,602 5.345,603 0.114,604 0.004,605 0.066,606 0.031,607 0.032,608 0.017,609 0.011,610 0.008,611 0.007,612 0.005,613 0.295,614 0.17,615 0.75,616 0.661,617 256.721,618 -0.039,619 -0.093,620 0.031,621 -0.034,622 -0.017,623 0.003,624 -0.111,625 -0.04,626 -0.069,627 -0.043,628 0.01,629 -0.047,630 0.068,631 -0.074,632 0.075,633 -0.037,634 0.124,635 0.013,636 0.038,637 -0.051,638 -0.055,639 -0.065,640 0.025,641 -0.073,642 0.014,643 -0.068,644 -0.074,645 -0.087,646 0.044,647 -0.091,648 -0.103,649 0.056,650 -0.042,651 0.035,652 -0.131,653 0.011,654 -0.07,655 0.075,656 -0.067,657 0.005,658 -0.124,659 -0.026,660 -0.086,661 -0.049,662 -0.067,663 -0.039,664 -0.132,665 -0.05,666 1.822,667 5.495,668 0.429,669 88.508,670 0.991,671 1.133,672 2.436,673 5.936,674 0.629,675 3.807,676 4.007,677 4.205,678 4.344,679 4.466,680 4.344,681 4.29,682 4.263,683 4.263,684 4.263,685 13.529,686 0.584,687 576.86,688 3.807,689 5.283,690 6.08,691 6.893,692 7.706,693 8.525,694 9.346,695 10.17,696 10.995,697 11.823,698 4.4,700 3,707 1,715 8,720 4,722 12,739 2,741 90,743 16,744 2,745 44,747 92,748 34,749 12,750 4,751 8,752 6,756 3,757 3,770 8,772 18,773 16,777 4,782 1,784 2,785 1,786 4,793 48,794 8,795 4,796 8,802 4,808 1,809 4,829 3,839 1,841 1,849 4,853 3,857 1,859 3,864 2,868 42,875 1,876 14,877 3,878 2,893 4.4,895 1,896 1,898 2,901 21.667,902 15.983,903 9.944,904 5.679,907 2.945,908 1.378,909 0.928,910 15.998,911 10.736,912 4.007,913 4.443,914 4.916,915 5.317,916 5.716,917 5.612,918 5.608,919 5.574,920 5.597,921 5.619,922 0.933,923 57,924 15.597,926 6.247,927 0.026,929 7.615,931 30.443,933 23.897,936 2.115,937 88.833,941 517.928,942 176.944,943 70.818,945 89.828,948 176.944,949 607.757,950 70.818,951 21.766,952 32.91,953 148.795,954 78.475,955 55.643,957 517.928,959 517.928,960 247.762,961 89.828,964 423.76,965 183.997,968 103.728,969 122.324,970 21.709,972 517.928,973 160.646,974 176.944,977 517.928,978 60.415,979 116.529,980 54.032,981 106.614,982 517.928,983 160.646,984 176.944,986 0.545,987 0.317,988 0.168,989 0.087,990 17,991 8,992 0.228,993 21,995 1,996 5.652,997 346.442,999 18,1000 226.477,1005 33.54,1006 20.033,1007 12.441,1009 160.646,1010 16.116,1015 4.16,1017 96.716,1018 855.518,1019 54,1024 12.495,1026 2.948,1027 4.432,1028 0.738,1031 89.156,1032 101.965,1034 0.218,1035 0.525,1036 0.706,1037 0.795,1038 0.831,1039 0.85,1040 5.193,1041 1.722,1042 5.984,1043 4.362,1044 4.691,1045 5.13,1046 1.906,1047 6.671,1048 4.629,1049 6.318,1050 1.651,1051 7.462,1052 3.792,1053 3.892,1054 4.635,1056 7.368,1057 3.816,1058 7.569,1059 1.524,1060 9.051,1061 3.716,1062 6.151,1063 7.153,1064 1.446,1065 10.456,1066 6.039,1067 8.863,1068 1.493,1069 10.712,1070 3.291,1071 6.293,1072 7.582,1074 12.07,1075 6.16,1076 10.197,1077 1.451,1078 12.421,1079 3.139,1080 7.897,1081 9.5,1082 1.113,1083 14.613,1084 7.741,1085 11.56,1086 1.39,1087 14.163,1088 3.039,1089 8.514,1090 10.364,1092 16.571,1093 8.333,1094 12.945,1095 1.144,1096 15.927,1097 2.949,1098 9.823,1099 12.011,1100 0.863,1101 18.92,1102 9.625,1103 2.988,1104 1,1105 17.706,1106 2.508,1107 10.676,1108 13.092,1110 21.017,1111 10.452,1112 2.837,1113 9.366,1114 19.496,1115 2.12,1116 11.851,1117 14.604,1118 0.672,1119 23.289,1120 11.611,1121 2.837,1122 8.98,1123 21.292,1124 3.846,1125 12.818,1126 15.797,1128 25.446,1129 12.554,1130 2.422,1131 8.98,1132 23.094,1133 3.8,1134 13.932,1135 17.235,1136 0.522,1137 27.685,1138 13.652,1139 1.913,1140 7.583,1141 24.899,1142 3.8,1143 14.952,1144 18.49,1146 29.871,1147 14.651,1148 1.91,1149 4.72,1150 26.707,1151 3.014,1152 16.041,1153 19.887,1154 0.403,1155 32.096,1156 15.723,1157 1.767,1158 4.362,1159 28.517,1160 2.385,1161 17.087,1162 21.177,1164 34.296,1165 16.75,1166 40474,1167 61272,1168 29.583,1169 56.592,1170 61.836,1171 63.063,1172 63.24,1173 61.174,1174 61.245,1175 74.868,1176 8.069,1177 155.855,1178 59.171,1179 5.344,1180 5.581,1181 6.159,1182 5.006,1183 4.988,1184 6.846,1185 1.72,1186 16.052,1187 4.947,1188 19.232,1189 1.405,1190 1.433,1191 1.437,1192 1.39,1193 1.392,1194 1.702,1195 0.183,1196 3.542,1197 1.345,1198 3.978,1199 4.014,1200 3.911,1201 3.882,1202 7.428,1203 3.882,1204 3.917,1205 3.946,1206 3.858,1207 3.841,1208 6.469,1209 3.84,1210 3.906,1211 3.932,1212 3.854,1213 3.795,1214 4.879,1215 3.808,1216 3.748,1217 3.815,1218 3.591,1219 3.614,1220 4.849,1221 3.598,1222 3.727,1223 3.784,1224 3.575,1225 3.602,1226 4.617,1227 3.587,1228 3.536,1229 3.618,1230 3.388,1231 3.343,1232 4.397,1233 3.341,1234 3.479,1235 3.558,1236 3.314,1237 3.297,1238 4.395,1239 3.288,1240 3.284,1241 3.371,1242 3.139,1243 3.086,1244 4.351,1245 3.086,1246 0.1,1247 0.081,1248 0.142,1249 0.09,1250 0.068,1251 4.381,1252 0.087,1253 3.581,1254 0.02,1255 6.25,1256 0.213,1257 3.974,1258 0.067,1259 2.988,1260 3.846,1261 0.86,1262 9.366,1263 2.947,1264 1.908,1265 1.882,1266 2.045,1267 2.023,1268 1.371,1269 2.03,1270 1.907,1271 1.882,1272 2.041,1273 2.018,1274 1.367,1275 2.026,1276 1.856,1277 1.829,1278 2.006,1279 2.002,1280 1.17,1281 1.998,1282 1.763,1283 1.699,1284 1.996,1285 1.928,1286 1.167,1287 1.955,1288 1.73,1289 1.674,1290 1.898,1291 1.888,1292 1.076,1293 1.903,1294 1.518,1295 1.44,1296 1.782,1297 1.745,1298 1.05,1299 1.761,1300 1.472,1301 1.396,1302 1.734,1303 1.689,1304 0.929,1305 1.708,1306 1.26,1307 1.179,1308 1.574,1309 1.52,1310 0.729,1311 1.537,1312 4.489,1314 5.72,1316 7.143,1318 8.664,1320 10.242,1322 3.394,1327 10.392,1328 13.244,1329 10.142,1330 10.773,1340 52.534,1341 127.215,1342 306.564,1343 412.492,1344 464.492,1345 485.247,1346 496.757,1347 114.599,1348 7.79,1349 104.21,1350 104.21,1351 18,1352 12.399,1353 4.087,1354 3.459,1355 95.712,1356 343,1357 280,1358 0.127,1359 328.618,1360 590.64,1361 793.588,1362 39286,1364 29.832,1365 0.71,1366 0.602,1367 29.832,1368 25.292,1369 20.618,1370 0.469,1371 0.346,1372 15.028,1373 19.888,1374 14.662,1375 12.304,1376 20.618,1377 15.227,1378 16.476,1379 0.305,1380 0.194,1381 16.476,1382 10.451,1383 13.44,1384 0.204,1385 0.11,1386 13.44,1387 7.233,1388 10.407,1389 0.137,1390 0.064,1391 10.407,1392 4.833,1393 7.975,1394 0.093,1395 0.037,1396 7.975,1397 3.151,1398 0.218,1399 129,1400 0.184,1401 39.98,1402 0.303,1403 196,1404 536,1405 212.181,1406 511.896,1407 688.17,1408 482,1409 218,1410 481.814,1411 234.738,1412 491.659,1413 705.82,1414 460,1415 6.91}
{0 CHEMBL243055,1 1.494,2 22.5,3 6.379,4 40.69,5 193.577,6 6.558,7 0.24,8 4.671,9 4.805,10 4.101,11 4.14,12 5.704,13 4.098,14 5.247,15 5.46,16 4.389,17 4.501,18 6.189,19 4.43,20 5.512,21 5.756,22 4.573,23 4.662,24 6.603,25 4.572,26 5.622,27 5.873,28 4.543,29 4.722,30 6.677,31 4.602,32 5.695,33 5.966,34 4.468,35 4.766,36 6.663,37 4.618,38 5.716,39 5.99,40 4.387,41 4.752,42 6.591,43 4.6,44 5.668,45 5.94,46 4.289,47 4.704,48 6.547,49 4.538,50 5.625,51 5.916,52 4.193,53 4.614,54 6.471,55 4.434,56 0.048,57 1.519,58 24.045,59 9.964,60 14.983,61 13.724,62 0.37,63 2.353,64 44.406,65 15.231,66 36.597,67 22.128,68 0.94,69 2.924,70 59.052,71 19.505,72 134.115,73 28.672,74 1.217,75 3.136,76 66.364,77 21.899,78 157.662,79 31.887,80 1.033,81 3.369,82 71.002,83 24.071,84 164.477,85 34.81,86 0.959,87 3.214,88 72.844,89 23.924,90 127.768,91 34.467,92 0.952,93 3.071,94 69.419,95 23.458,96 124.05,97 33.279,98 0.783,99 2.873,100 66.254,101 22.166,102 118.038,103 32.075,104 81,105 64,106 0.219,107 0.486,108 0.68,109 0.768,110 0.798,111 0.814,112 3.894,113 1.041,114 -4.55,115 -4.48,116 -4.21,121 37.3,122 2,123 8,126 2,127 8,140 4,144 8,145 2,146 2,158 2,176 14,180 11,185 1,187 12,191 1,192 9,196 1,197 1,200 6,205 2,206 9,209 2,211 1,214 6,219 6,222 2,224 2,227 8,232 6,237 2,239 14,243 1,244 5,247 1,249 3,251 14,256 5,261 3,264 8,269 6,274 4,277 7,281 6704,282 32.794,283 32.794,284 32.794,285 32.794,286 32.794,287 30.328,288 39.034,289 20,290 33.625,291 24.368,292 24.368,293 24.368,294 24.368,295 24.368,296 20.646,297 47.726,298 9.138,299 25.499,300 5.178,301 3.351,302 2.029,303 1.424,304 1.221,305 1.108,306 4.576,312 1,313 2232,314 5.568,318 648.391,325 4.375,326 60.173,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 105,338 1080,339 4.651,340 3.823,341 6.906,342 4.236,343 3.271,344 4.188,345 0.916,346 11.366,347 3.15,348 4.206,349 3.188,350 6.159,351 3.84,352 2.875,353 3.805,354 0.916,355 9.118,356 2.773,357 4.206,358 3.188,359 6.159,360 3.84,361 2.875,362 3.805,363 0.86,364 9.118,365 2.773,366 3.831,367 3.102,368 5.987,369 3.404,370 2.447,371 3.126,372 0.86,373 8.207,374 2.346,375 3.719,376 2.894,377 5.791,378 3.304,379 2.38,380 2.97,381 0.6,382 7.292,383 2.198,384 3.43,385 2.729,386 5.284,387 3.303,388 2.38,389 2.467,390 0.4,391 6.713,392 2.197,393 3.43,394 2.729,395 5.284,396 3.251,397 2.303,398 2.467,399 0.172,400 6.713,401 2.144,402 2.917,403 2.147,404 4.316,405 2.816,406 1.833,407 2.088,408 0.172,409 4.045,410 1.8,411 2.917,412 1.991,413 4.316,414 2.781,415 1.791,416 2.088,418 4.043,419 1.769,420 2.897,421 1.96,422 4.151,423 2.501,424 1.552,425 1.963,427 3.774,428 1.467,429 2.862,430 1.948,431 3.849,432 2.492,433 1.545,434 1.959,436 3.615,437 1.456,438 2.825,439 1.804,440 3.771,441 2.443,442 1.459,443 1.859,445 3.127,446 1.432,447 2.77,448 1.689,449 3.622,450 2.432,451 1.438,452 1.782,454 3.028,455 1.428,456 2.592,457 1.539,458 3.619,459 2.345,460 1.376,461 1.527,463 3,464 1.327,465 2.339,466 1.507,467 3.618,468 2.256,469 1.281,470 1.32,472 2.682,473 1.245,474 22.505,475 0.469,476 0.836,477 0.017,478 48.5,479 1.01,480 19,481 0.396,482 29.5,483 0.615,484 59.032,485 1.23,486 56.695,487 0.556,488 43.232,489 0.901,490 9.634,491 0.201,492 13.702,493 0.285,494 0.144,496 0.258,499 2,501 0.726,502 1.34,503 0.913,504 1.321,505 0.605,506 1.182,507 0.933,508 1.096,509 0.973,510 1.063,511 0.617,512 1.021,513 0.685,514 1.046,515 0.838,516 1.038,517 0.564,518 0.975,519 0.788,520 1.041,521 0.965,522 1.071,523 0.703,524 1.058,525 0.831,526 1.001,527 0.986,528 1.049,529 0.882,530 1.046,531 1.13,532 0.96,533 1.092,534 0.982,535 1.134,536 1.02,537 1.125,538 0.987,539 1.153,540 1.054,541 1.163,542 1.103,543 0.986,544 1.027,545 1.015,546 1.026,547 1.142,548 1.03,549 7,550 0.264,551 4.889,552 3.25,553 2.871,554 1.264,555 0.893,556 0.573,557 0.353,558 0.282,559 53892,560 128734,561 1.972,562 52.9,563 8,564 30,567 2,569 14,572 1.835,573 1.846,574 4.353,575 0.065,582 152.402,583 1.494,584 3.321,585 4.643,586 5.248,587 5.452,588 5.564,589 3.772,590 4.304,591 5.554,592 4.676,593 5274.8,594 9.82,595 125298,600 680.587,601 1.384,602 5.513,603 0.14,604 0.006,605 0.076,606 0.045,607 0.042,608 0.02,609 0.015,610 0.011,611 0.008,612 0.006,613 0.37,614 0.17,615 0.75,616 0.846,617 300.215,618 -0.02,619 -0.158,620 0.036,621 -0.083,622 -0.013,623 -0.026,624 -0.078,625 -0.055,626 0.006,627 -0.003,628 0.008,629 0.017,630 0.215,631 -0.019,632 0.145,633 -0.019,634 0.279,635 0.037,636 0.181,637 -0.028,638 0.025,639 -0.064,640 0.198,641 -0.057,642 0.06,644 -0.013,645 -0.048,646 0.08,647 -0.044,648 -0.122,649 0.015,650 -0.1,651 -0.005,652 -0.114,653 -0.039,654 -0.115,655 -0.001,656 -0.163,657 -0.064,658 -0.129,659 -0.114,660 -0.061,661 -0.072,662 -0.041,663 -0.051,664 -0.098,665 -0.045,666 2.864,667 6.905,668 0.375,669 99.639,670 0.997,671 1.14,672 3.322,673 11.035,674 0.623,675 3.932,676 4.174,677 4.419,678 4.575,679 4.71,680 4.654,681 4.575,682 4.511,683 4.489,684 4.489,685 13.507,686 0.582,687 668.96,688 3.932,689 5.434,690 6.256,691 7.094,692 7.935,693 8.783,694 9.632,695 10.486,696 11.34,697 12.198,698 3.9,700 1,701 2,707 1,715 8,720 4,722 12,739 2,741 102,743 16,744 2,745 50,747 104,748 38,749 12,750 4,751 8,752 6,753 2,756 3,757 3,763 2,770 8,772 18,773 20,776 2,777 4,782 1,785 1,786 6,791 2,793 54,794 10,795 2,796 10,802 4,808 1,809 4,829 3,839 1,841 1,849 4,853 1,855 2,857 1,859 3,864 4,866 2,868 48,875 1,876 16,877 1,878 2,881 2,892 2,893 3.9,895 1,896 1,898 2,901 26,902 19.002,903 11.389,904 6.767,907 2.82,908 1.352,909 0.92,910 17.864,911 10.834,912 4.111,913 4.575,914 5.066,915 5.471,916 5.86,917 5.847,918 5.862,919 5.847,920 5.852,921 5.84,922 0.933,923 73,924 18.062,926 7.508,927 0.026,929 7.795,931 34.482,933 27.207,936 2.295,937 110.167,941 612.097,942 198.095,943 41.045,945 89.828,946 29.92,948 198.095,949 701.925,950 70.965,951 39.417,952 37.122,953 93.821,954 96.717,955 61.892,956 29.92,957 612.097,959 612.097,960 239.14,961 119.748,964 477.222,965 254.623,968 95.817,969 122.324,970 20.999,972 642.018,973 130.873,974 198.095,977 612.097,978 82.869,979 121.475,980 18.011,981 136.534,982 612.097,983 160.793,984 198.095,986 0.555,987 0.338,988 0.178,989 0.093,990 21,991 12,992 0.221,993 23,995 1,996 5.808,997 436.847,999 18,1000 268.078,1005 39.349,1006 21.792,1007 12.392,1009 160.793,1010 16.038,1015 4.081,1017 60.694,1018 970.986,1019 60,1024 12.583,1027 4.029,1028 -5.518,1031 101.715,1032 116.305,1034 0.224,1035 0.498,1036 0.696,1037 0.787,1038 0.817,1039 0.834,1040 5.328,1041 1.833,1042 6.201,1043 6.713,1044 4.86,1045 5.263,1046 2.08,1047 6.963,1048 4.772,1049 6.478,1050 1.791,1051 7.736,1052 4.045,1053 4.29,1054 4.934,1055 0.57,1056 7.837,1057 4.136,1058 7.758,1059 1.552,1060 9.382,1061 4.043,1062 6.399,1063 7.325,1064 1.689,1065 10.947,1066 6.231,1067 9.08,1068 1.545,1069 11.096,1070 3.774,1071 6.735,1072 7.895,1073 0.674,1074 12.681,1075 6.497,1076 10.443,1077 1.459,1078 12.855,1079 3.615,1080 8.24,1081 9.729,1082 1.417,1083 15.321,1084 7.995,1085 11.835,1086 1.438,1087 14.645,1088 3.127,1089 9.002,1090 10.709,1091 0.66,1092 17.404,1093 8.697,1094 13.249,1095 1.376,1096 16.456,1097 3.028,1098 10.275,1099 12.316,1100 1.203,1101 19.896,1102 9.956,1103 3.271,1104 1.281,1105 18.283,1106 3,1107 11.242,1108 13.497,1109 0.611,1110 22.142,1111 10.873,1112 2.875,1113 11.366,1114 20.122,1115 2.682,1116 12.427,1117 15,1118 1.023,1119 24.584,1120 12.037,1121 2.875,1122 9.118,1123 21.972,1124 4.188,1125 13.493,1126 16.284,1127 0.55,1128 26.913,1129 13.059,1130 2.447,1131 9.118,1132 23.831,1133 3.805,1134 14.65,1135 17.737,1136 0.869,1137 29.339,1138 14.189,1139 2.38,1140 8.207,1141 25.696,1142 3.805,1143 15.763,1144 19.076,1145 0.487,1146 31.713,1147 15.262,1148 2.38,1149 7.292,1150 27.569,1151 3.126,1152 16.916,1153 20.505,1154 0.735,1155 34.136,1156 16.383,1157 2.303,1158 6.713,1159 29.447,1160 2.97,1161 18.054,1162 21.875,1163 0.427,1164 36.534,1165 17.483,1166 52720,1167 81884,1168 32.591,1169 63.512,1170 70.956,1171 73.475,1172 75.093,1173 70.612,1174 70.572,1175 84.688,1176 9.795,1177 189.373,1178 67.309,1179 5.618,1180 5.823,1181 6.768,1182 5.268,1183 5.271,1184 7.188,1185 1.776,1186 19.366,1187 5.15,1188 28.977,1189 1.419,1190 1.47,1191 1.502,1192 1.412,1193 1.411,1194 1.694,1195 0.196,1196 3.787,1197 1.346,1198 3.996,1199 4.033,1200 3.947,1201 3.891,1202 8.207,1203 3.893,1204 3.925,1205 3.956,1206 3.882,1207 3.845,1208 8.197,1209 3.844,1210 3.92,1211 3.943,1212 3.861,1213 3.793,1214 7.423,1215 3.816,1216 3.758,1217 3.823,1218 3.611,1219 3.622,1220 6.461,1221 3.609,1222 3.747,1223 3.803,1224 3.608,1225 3.616,1226 4.877,1227 3.605,1228 3.611,1229 3.688,1230 3.468,1231 3.424,1232 4.847,1233 3.423,1234 3.577,1235 3.651,1236 3.419,1237 3.402,1238 4.53,1239 3.395,1240 3.403,1241 3.488,1242 3.243,1243 3.219,1244 4.394,1245 3.209,1246 0.093,1247 0.076,1248 0.138,1249 0.085,1250 0.065,1251 4.651,1252 0.084,1253 3.823,1254 0.018,1255 6.906,1256 0.227,1257 4.236,1258 0.063,1259 3.271,1260 4.188,1261 0.916,1262 11.366,1263 3.15,1264 1.913,1265 1.887,1266 2.053,1267 2.035,1268 1.381,1269 2.041,1270 1.913,1271 1.887,1272 2.051,1273 2.031,1274 1.378,1275 2.039,1276 1.843,1277 1.82,1278 2.003,1279 2.006,1280 1.215,1281 1.992,1282 1.769,1283 1.707,1284 1.996,1285 1.932,1286 1.211,1287 1.957,1288 1.737,1289 1.683,1290 1.881,1291 1.9,1292 1.079,1293 1.905,1294 1.596,1295 1.519,1296 1.857,1297 1.81,1298 1.065,1299 1.83,1300 1.57,1301 1.497,1302 1.806,1303 1.775,1304 0.974,1305 1.795,1306 1.407,1307 1.325,1308 1.718,1309 1.63,1310 0.951,1311 1.663,1312 4.615,1314 5.878,1316 7.34,1318 8.904,1320 10.528,1322 7.63,1324 29.799,1327 10.354,1328 12.792,1329 2.73,1330 10.929,1333 4.718,1340 59.408,1341 152.402,1342 338.763,1343 473.594,1344 535.303,1345 556.058,1346 567.568,1347 190.574,1348 8.013,1349 86.63,1350 86.63,1351 18,1352 12.751,1353 4.087,1354 3.459,1355 118.749,1356 392,1357 326,1358 0.139,1359 369.384,1360 671.98,1361 893.056,1362 48194,1363 2,1364 34.727,1365 0.723,1366 0.608,1367 32.987,1368 29.202,1369 23.336,1370 0.467,1371 0.347,1372 17.082,1373 22.338,1374 16.621,1375 13.926,1376 22.481,1377 17.347,1378 18.9,1379 0.295,1380 0.188,1381 18.082,1382 12.027,1383 16.268,1384 0.198,1385 0.106,1386 14.942,1387 8.709,1388 12.354,1389 0.129,1390 0.061,1391 11.447,1392 5.811,1393 9.298,1394 0.085,1395 0.035,1396 8.928,1397 3.87,1398 0.236,1399 147.269,1400 0.175,1401 43.681,1402 0.341,1403 228,1404 754.847,1405 253.231,1406 665.231,1407 876.11,1408 622,1409 260,1410 606.452,1411 288.463,1412 603.726,1413 881.1,1414 564,1415 8.287}
{0 CHEMBL243056,1 1.494,2 22.5,3 7.297,4 53.242,5 202.754,6 6.881,7 0.24,8 4.667,9 4.798,10 4.145,11 4.169,12 5.66,13 4.113,14 5.243,15 5.453,16 4.455,17 4.541,18 6.134,19 4.451,20 5.505,21 5.744,22 4.693,23 4.714,24 6.46,25 4.603,26 5.614,27 5.86,28 4.668,29 4.777,30 6.536,31 4.635,32 5.687,33 5.952,34 4.601,35 4.825,36 6.535,37 4.65,38 5.709,39 5.977,40 4.464,41 4.807,42 6.514,43 4.627,44 5.661,45 5.925,46 4.374,47 4.761,48 6.466,49 4.567,50 5.617,51 5.901,52 4.285,53 4.676,54 6.383,55 4.466,56 0.072,57 1.373,58 23.865,59 9.929,60 15.066,61 13.807,62 0.38,63 2.155,64 45.795,65 15.694,66 34.739,67 22.635,68 0.775,69 2.598,70 64.555,71 20.408,72 84.973,73 29.617,74 1.022,75 2.783,76 73.55,77 23.104,78 99.734,79 33.192,80 0.83,81 2.938,82 82.471,83 25.889,84 101.54,85 36.792,86 0.85,87 2.909,88 81.352,89 25.711,90 91.517,91 36.484,92 0.847,93 2.762,94 77.839,95 25.174,96 88.457,97 35.295,98 0.678,99 2.574,100 75.178,101 24.102,102 81.124,103 34.245,104 81,105 64,106 0.219,107 0.486,108 0.68,109 0.768,110 0.798,111 0.814,112 3.894,113 1.086,114 -4.72,115 -4.64,116 -4.36,121 37.3,122 2,123 8,126 2,127 8,140 4,144 8,145 2,146 2,158 2,176 14,180 11,185 1,187 12,191 1,192 11,196 1,197 3,200 6,205 2,206 11,209 2,211 3,214 6,219 6,222 2,224 2,227 11,232 6,237 2,239 18,243 1,244 5,247 1,249 3,251 18,256 5,261 3,264 12,269 6,274 4,277 9,281 6704,282 32.794,283 32.794,284 32.794,285 32.794,286 32.794,287 30.328,288 39.008,289 20,290 33.717,291 24.368,292 24.368,293 24.368,294 24.368,295 24.368,296 20.646,297 47.666,298 9.138,299 25.72,300 5.178,301 3.351,302 2.029,303 1.424,304 1.221,305 1.108,306 4.576,308 2,312 1,313 2232,314 5.568,318 648.391,325 4.375,326 45.754,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 102.667,338 1080,339 4.651,340 3.829,341 6.906,342 4.215,343 3.271,344 4.188,345 0.916,346 11.366,347 3.062,348 4.206,349 3.188,350 6.159,351 3.84,352 2.875,353 3.805,354 0.916,355 9.118,356 2.773,357 4.206,358 3.188,359 6.159,360 3.84,361 2.875,362 3.805,363 0.86,364 9.118,365 2.773,366 3.831,367 3.113,368 5.987,369 3.4,370 2.447,371 3.126,372 0.86,373 8.207,374 2.343,375 3.719,376 2.905,377 5.791,378 3.304,379 2.38,380 2.97,381 0.6,382 7.292,383 2.197,384 3.43,385 2.729,386 5.284,387 3.303,388 2.38,389 2.467,390 0.4,391 6.713,392 2.197,393 3.43,394 2.729,395 5.284,396 3.201,397 2.303,398 2.467,399 0.172,400 6.713,401 1.971,402 2.917,403 2.153,404 4.316,405 2.816,406 1.833,407 2.088,408 0.172,409 4.045,410 1.798,411 2.917,412 2.002,413 4.316,414 2.779,415 1.791,416 2.088,418 4.043,419 1.76,420 2.897,421 1.96,422 4.151,423 2.5,424 1.552,425 1.963,427 3.774,428 1.466,429 2.862,430 1.951,431 3.849,432 2.492,433 1.545,434 1.959,436 3.615,437 1.455,438 2.825,439 1.809,440 3.771,441 2.443,442 1.459,443 1.859,445 3.127,446 1.432,447 2.77,448 1.694,449 3.622,450 2.432,451 1.438,452 1.782,454 3.028,455 1.427,456 2.592,457 1.542,458 3.619,459 2.342,460 1.376,461 1.527,463 3,464 1.322,465 2.339,466 1.507,467 3.618,468 2.253,469 1.281,470 1.32,472 2.682,473 1.235,474 23.362,475 0.487,476 0.836,477 0.017,478 48.5,479 1.01,480 19,481 0.396,482 29.5,483 0.615,484 61.961,485 1.291,486 55.838,487 0.547,488 40.303,489 0.84,490 9.353,491 0.195,492 13.984,493 0.291,494 0.175,496 0.248,501 0.806,502 1.507,503 0.765,504 1.203,505 0.702,506 1.127,507 1.063,508 1.161,509 0.819,510 0.955,511 0.684,512 0.971,513 0.733,514 1.101,515 0.761,516 0.981,517 0.587,518 0.937,519 0.82,520 1.086,521 0.901,522 1.041,523 0.713,524 1.032,525 0.805,526 1.036,527 0.962,528 1.038,529 0.86,530 1.041,531 1.144,532 0.953,533 1.092,534 1,535 1.173,536 1.03,537 1.121,538 0.973,539 1.151,540 1.071,541 1.184,542 1.112,543 0.925,544 1.016,545 1.059,546 1.047,547 1.119,548 1.043,549 7,550 0.264,551 4.889,552 3.25,553 2.871,554 1.264,555 0.893,556 0.573,557 0.353,558 0.282,559 53892,560 128734,561 1.972,562 52.9,563 8,564 30,567 2,569 14,572 1.835,573 1.846,574 4.353,575 0.065,582 152.402,583 1.494,584 3.321,585 4.643,586 5.248,587 5.452,588 5.564,589 3.772,590 4.304,591 5.554,592 4.676,593 5274.8,594 9.82,595 125298,600 680.587,601 1.384,602 5.513,603 0.14,604 0.006,605 0.076,606 0.045,607 0.042,608 0.02,609 0.015,610 0.011,611 0.008,612 0.006,613 0.37,614 0.17,615 0.75,616 0.846,617 300.215,618 -0.017,619 -0.191,620 0.023,621 -0.073,622 -0.012,623 -0.024,624 -0.097,625 0.008,626 0.025,627 0.049,628 0.008,629 0.035,630 0.195,631 -0.022,632 0.172,633 0.014,634 0.269,635 0.062,636 0.168,637 -0.05,638 0.065,639 -0.045,640 0.172,641 -0.037,642 0.044,643 -0.04,644 0.023,645 -0.038,646 0.06,647 -0.039,648 -0.132,649 0.02,650 -0.098,651 -0.019,652 -0.133,653 -0.047,654 -0.121,655 -0.004,656 -0.146,657 -0.077,658 -0.154,659 -0.12,660 -0.054,661 -0.09,662 -0.051,663 -0.058,664 -0.106,665 -0.05,666 2.119,667 5.982,668 0.375,669 99.639,670 0.994,671 1.132,672 3.493,673 12.204,674 0.641,675 3.932,676 4.174,677 4.419,678 4.575,679 4.71,680 4.654,681 4.575,682 4.511,683 4.489,684 4.489,685 13.507,686 0.591,687 701.86,688 3.932,689 5.434,690 6.256,691 7.094,692 7.935,693 8.783,694 9.632,695 10.486,696 11.34,697 12.198,698 3.9,700 1,701 2,707 1,715 8,720 4,722 12,739 2,741 102,743 16,744 2,745 50,747 104,748 38,749 12,750 4,751 8,752 6,753 2,756 3,757 3,758 2,763 2,770 8,772 18,773 20,776 2,777 4,782 1,785 1,786 6,793 54,794 8,795 2,796 10,797 2,802 4,808 1,809 4,829 3,839 1,841 1,849 4,853 1,855 2,857 1,859 3,864 4,865 2,868 48,875 1,876 16,877 1,878 2,881 2,892 2,893 3.9,895 1,896 1,898 2,901 26,902 19.002,903 11.389,904 6.767,907 2.82,908 1.352,909 0.92,910 18.647,911 10.834,912 4.111,913 4.575,914 5.066,915 5.471,916 5.86,917 5.847,918 5.862,919 5.847,920 5.852,921 5.84,922 0.933,923 73,924 17.873,926 7.23,927 0.026,929 7.633,931 34.761,933 27.423,936 2.133,937 102.389,941 612.097,942 186.855,943 41.045,944 78.297,945 89.828,948 186.855,949 780.223,950 41.045,951 39.417,952 37.122,953 93.821,954 85.476,955 61.892,957 612.097,958 78.297,959 612.097,960 227.899,961 89.828,962 78.297,964 447.302,965 254.623,968 95.817,969 122.324,970 88.055,972 612.097,973 130.873,974 265.152,977 612.097,978 71.628,979 121.475,980 18.011,981 184.911,982 612.097,983 130.873,984 265.152,986 0.555,987 0.338,988 0.178,989 0.093,990 21,991 12,992 0.221,993 23,995 1,996 5.808,997 436.847,999 18,1000 268.078,1005 40.044,1006 22.352,1007 12.787,1009 130.873,1010 16.299,1015 4.241,1017 60.694,1018 1008.12,1019 60,1024 12.982,1027 4.427,1028 -0.562,1031 101.337,1032 115.514,1034 0.224,1035 0.498,1036 0.696,1037 0.787,1038 0.817,1039 0.834,1040 5.328,1041 1.833,1042 6.201,1043 6.713,1044 4.86,1045 5.263,1046 2.08,1047 6.963,1048 4.751,1049 6.478,1050 1.791,1051 7.736,1052 4.045,1053 4.29,1054 4.934,1055 0.57,1056 7.837,1057 4.077,1058 7.758,1059 1.552,1060 9.382,1061 4.043,1062 6.399,1063 7.325,1064 1.689,1065 10.947,1066 6.192,1067 9.08,1068 1.545,1069 11.096,1070 3.774,1071 6.735,1072 7.895,1073 0.674,1074 12.681,1075 6.412,1076 10.443,1077 1.459,1078 12.855,1079 3.615,1080 8.24,1081 9.729,1082 1.417,1083 15.321,1084 7.926,1085 11.835,1086 1.438,1087 14.645,1088 3.127,1089 9.002,1090 10.709,1091 0.66,1092 17.404,1093 8.584,1094 13.249,1095 1.376,1096 16.456,1097 3.028,1098 10.275,1099 12.316,1100 1.203,1101 19.896,1102 9.846,1103 3.271,1104 1.281,1105 18.283,1106 3,1107 11.242,1108 13.497,1109 0.611,1110 22.142,1111 10.723,1112 2.875,1113 11.366,1114 20.122,1115 2.682,1116 12.427,1117 15,1118 1.023,1119 24.584,1120 11.878,1121 2.875,1122 9.118,1123 21.972,1124 4.188,1125 13.493,1126 16.284,1127 0.55,1128 26.913,1129 12.864,1130 2.447,1131 9.118,1132 23.831,1133 3.805,1134 14.65,1135 17.737,1136 0.869,1137 29.339,1138 13.975,1139 2.38,1140 8.207,1141 25.696,1142 3.805,1143 15.763,1144 19.076,1145 0.487,1146 31.713,1147 15.014,1148 2.38,1149 7.292,1150 27.569,1151 3.126,1152 16.916,1153 20.505,1154 0.735,1155 34.136,1156 16.111,1157 2.303,1158 6.713,1159 29.447,1160 2.97,1161 18.054,1162 21.875,1163 0.427,1164 36.534,1165 17.177,1166 52720,1167 81884,1168 32.591,1169 65.353,1170 70.956,1171 73.531,1172 75.093,1173 70.745,1174 70.572,1175 84.688,1176 9.795,1177 189.373,1178 66.409,1179 5.618,1180 5.829,1181 6.768,1182 5.248,1183 5.271,1184 7.188,1185 1.776,1186 19.366,1187 5.062,1188 28.977,1189 1.419,1190 1.471,1191 1.502,1192 1.415,1193 1.411,1194 1.694,1195 0.196,1196 3.787,1197 1.328,1198 3.994,1199 4.03,1200 4.099,1201 3.895,1202 7.428,1203 3.896,1204 3.925,1205 3.956,1206 3.896,1207 3.845,1208 6.469,1209 3.844,1210 3.914,1211 3.933,1212 3.861,1213 3.82,1214 4.888,1215 3.829,1216 3.758,1217 3.823,1218 3.685,1219 3.623,1220 4.85,1221 3.609,1222 3.746,1223 3.8,1224 3.617,1225 3.62,1226 4.847,1227 3.606,1228 3.61,1229 3.688,1230 3.601,1231 3.425,1232 4.682,1233 3.423,1234 3.576,1235 3.648,1236 3.455,1237 3.403,1238 4.396,1239 3.396,1240 3.402,1241 3.487,1242 3.434,1243 3.223,1244 4.392,1245 3.211,1246 0.093,1247 0.077,1248 0.138,1249 0.084,1250 0.065,1251 4.651,1252 0.084,1253 3.829,1254 0.018,1255 6.906,1256 0.227,1257 4.215,1258 0.061,1259 3.271,1260 4.188,1261 0.916,1262 11.366,1263 3.062,1264 1.913,1265 1.887,1266 2.052,1267 2.033,1268 1.381,1269 2.041,1270 1.913,1271 1.887,1272 2.051,1273 2.031,1274 1.378,1275 2.039,1276 1.847,1277 1.83,1278 2.002,1279 1.987,1280 1.215,1281 1.987,1282 1.769,1283 1.707,1284 1.996,1285 1.931,1286 1.211,1287 1.957,1288 1.738,1289 1.685,1290 1.876,1291 1.892,1292 1.081,1293 1.899,1294 1.596,1295 1.519,1296 1.857,1297 1.81,1298 1.065,1299 1.829,1300 1.571,1301 1.498,1302 1.795,1303 1.769,1304 0.981,1305 1.792,1306 1.407,1307 1.325,1308 1.718,1309 1.629,1310 0.951,1311 1.663,1312 4.615,1314 5.878,1316 7.34,1318 8.904,1320 10.528,1322 7.773,1323 12.808,1327 10.753,1328 14.708,1329 3.129,1330 10.994,1333 4.836,1340 60.297,1341 152.402,1342 338.763,1343 473.594,1344 535.303,1345 556.058,1346 567.568,1347 165.593,1348 8.013,1349 86.63,1350 86.63,1351 18,1352 12.751,1353 4.087,1354 3.459,1355 118.749,1356 392,1357 326,1358 0.139,1359 383.653,1360 690.26,1361 927.874,1362 48194,1363 2,1364 34.727,1365 0.723,1366 0.64,1367 35.727,1368 30.714,1369 23.336,1370 0.467,1371 0.362,1372 17.193,1373 22.005,1374 16.621,1375 13.926,1376 23.914,1377 18.103,1378 18.9,1379 0.295,1380 0.2,1381 19.567,1382 12.783,1383 16.268,1384 0.198,1385 0.115,1386 17.222,1387 9.428,1388 12.354,1389 0.129,1390 0.066,1391 13.071,1392 6.297,1393 9.298,1394 0.085,1395 0.039,1396 9.918,1397 4.261,1398 0.236,1399 151.888,1400 0.175,1401 43.681,1402 0.341,1403 228,1404 635.031,1405 276.608,1406 665.231,1407 876.11,1408 622,1409 260,1410 573.511,1411 309.005,1412 603.726,1413 881.1,1414 564,1415 8.516}
{0 CHEMBL243057,1 1.445,2 22.5,3 7.921,4 62.741,5 190.004,6 6.828,7 0.261,8 4.578,9 4.715,10 4.051,11 4.116,12 5.543,13 4.047,14 5.152,15 5.366,16 4.361,17 4.495,18 6.04,19 4.386,20 5.451,21 5.708,22 4.487,23 4.657,24 6.316,25 4.51,26 5.525,27 5.792,28 4.396,29 4.667,30 6.35,31 4.491,32 5.548,33 5.829,34 4.358,35 4.678,36 6.353,37 4.497,38 5.552,39 5.817,40 4.325,41 4.699,42 6.364,43 4.505,44 5.54,45 5.821,46 4.171,47 4.634,48 6.324,49 4.422,50 5.424,51 5.711,52 4.077,53 4.502,54 6.187,55 4.299,56 0.088,57 1.281,58 21.947,59 9.171,60 11.941,61 12.987,62 0.275,63 2.053,64 41.495,65 14.824,66 30.64,67 21.679,68 0.547,69 2.49,70 60.006,71 19.955,72 62.908,73 28.929,74 0.719,75 2.56,76 68.899,77 21.634,78 71.165,79 31.271,80 0.639,81 2.617,82 64.786,83 22.532,84 79.447,85 32.345,86 0.59,87 2.576,88 69.845,89 23.279,90 73.013,91 32.74,92 0.667,93 2.494,94 69.973,95 22.832,96 75.852,97 32.173,98 0.479,99 2.242,100 58.249,101 19.987,102 60.117,103 28.523,104 41,105 58,106 0.215,107 0.49,108 0.675,109 0.772,110 0.805,111 0.823,112 3.809,113 1.111,114 -5.89,115 -5.74,116 -5.35,121 38.3,122 2,123 8,127 8,137 2,140 2,144 8,145 2,146 2,158 2,176 14,180 9,185 3,187 16,191 1,192 7,196 1,197 3,200 11,206 9,209 2,211 1,214 10,219 6,222 2,224 2,227 12,232 2,237 2,239 22,243 1,244 3,247 1,249 3,251 20,256 3,261 3,264 12,269 6,274 4,277 9,281 5336,282 29.949,283 29.949,284 29.949,285 29.949,286 29.949,287 27.56,288 35.726,289 18.552,290 30.584,291 22.599,292 22.599,293 22.599,294 22.599,295 22.599,296 19.081,297 44.726,298 8.725,299 23.66,300 5.11,301 3.258,302 2.016,303 1.359,304 1.139,305 1.016,306 4.494,308 2,313 2056,314 5.292,318 596.05,325 4.182,326 36.226,329 0.5,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.68,337 92.667,338 990,339 4.381,340 3.581,341 6.25,342 3.974,343 2.988,344 3.846,345 0.916,346 9.366,347 2.947,348 4.176,349 3.241,350 6.061,351 3.782,352 2.84,353 3.779,354 0.916,355 8.744,356 2.654,357 4.176,358 3.241,359 6.061,360 3.782,361 2.84,362 3.779,363 0.6,364 8.744,365 2.654,366 3.773,367 2.889,368 5.741,369 3.392,370 2.422,371 3.014,372 0.4,373 7.583,374 2.34,375 3.423,376 2.749,377 5.257,378 3.279,379 2.362,380 2.463,381 0.172,382 6.604,383 2.16,384 3.423,385 2.749,386 5.257,387 3.279,388 2.361,389 2.463,390 0.172,391 6.604,392 2.159,393 3.266,394 2.437,395 4.559,396 2.825,397 1.835,398 2.385,400 4.72,401 1.81,402 2.89,403 1.963,404 4.142,405 2.806,406 1.822,407 2.04,409 3.789,410 1.79,411 2.881,412 1.913,413 4.142,414 2.664,415 1.675,416 2.04,418 3.755,419 1.649,420 2.86,421 1.894,422 3.927,423 2.45,424 1.47,425 1.933,427 3.64,428 1.443,429 2.831,430 1.764,431 3.822,432 2.43,433 1.44,434 1.929,436 3.538,437 1.427,438 2.799,439 1.647,440 3.662,441 2.353,442 1.414,443 1.838,445 3.005,446 1.32,447 2.752,448 1.504,449 3.599,450 2.338,451 1.414,452 1.762,454 2.97,455 1.236,456 2.569,457 1.498,458 3.595,459 2.314,460 1.355,461 1.495,463 2.933,464 1.226,465 2.294,466 1.312,467 3.412,468 2.209,469 1.227,470 1.272,472 2.584,473 1.199,474 21.695,475 0.493,476 0.767,477 0.017,478 44.5,479 1.011,480 18,481 0.409,482 26.5,483 0.602,484 53.459,485 1.215,486 50.305,487 0.535,488 34.137,489 0.776,490 8.353,491 0.19,492 13.052,493 0.297,494 0.143,496 0.221,501 0.765,502 1.442,503 0.764,504 1.132,505 0.69,506 1.098,507 0.892,508 1.234,509 0.824,510 1.025,511 0.57,512 1.045,513 0.899,514 1.066,515 0.862,516 0.943,517 0.722,518 0.955,519 0.942,520 1.054,521 1.08,522 1.077,523 0.867,524 1.055,525 0.801,526 0.933,527 0.784,528 0.904,529 0.823,530 0.934,531 1.139,532 1.019,533 1.128,534 1.079,535 1.226,536 1.09,537 1.104,538 0.926,539 1.16,540 1.065,541 1.197,542 1.076,543 0.958,544 1.026,545 0.885,546 1.003,547 1.145,548 1.011,549 7,550 0.198,551 4,552 2.25,553 2.169,554 0.917,555 0.648,556 0.448,557 0.254,558 0.242,559 45120,560 108002,561 1.995,562 53.2,563 8,564 26,567 2,569 14,572 1.813,573 1.886,574 4.372,575 0.058,582 135.821,583 1.445,584 3.297,585 4.539,586 5.195,587 5.416,588 5.539,589 3.789,590 4.243,591 5.43,592 4.664,593 4412.38,594 9.559,595 100794,600 616.131,601 1.293,602 5.398,603 0.152,604 0.005,605 0.069,606 0.037,607 0.04,608 0.017,609 0.013,610 0.01,611 0.006,612 0.006,613 0.356,614 0.17,615 0.63,616 0.719,617 270.685,618 -0.018,619 -0.148,620 0.017,621 -0.033,622 -0.021,623 -0.007,624 -0.057,625 -0.054,626 0.001,627 -0.025,628 0.06,629 -0.033,630 0.048,631 -0.015,632 0.061,633 0.032,634 0.114,635 0.029,636 0.055,637 -0.052,638 -0.056,639 -0.091,640 0.024,641 -0.069,642 0.062,643 0.045,644 0.051,645 0.053,646 0.083,647 0.042,648 -0.118,649 -0.047,650 -0.117,651 -0.077,652 -0.128,653 -0.095,654 -0.092,655 0.022,656 -0.142,657 -0.081,658 -0.139,659 -0.093,660 -0.043,661 -0.086,662 -0.025,663 -0.044,664 -0.094,665 -0.036,666 1.818,667 5.586,668 0.409,669 87.025,670 0.988,671 1.13,672 4.656,673 21.678,674 0.648,675 3.85,676 4.078,677 4.263,678 4.394,679 4.554,680 4.443,681 4.369,682 4.369,683 4.344,684 4.317,685 13.343,686 0.594,687 641.8,688 3.85,689 5.342,690 6.142,691 6.963,692 7.78,693 8.606,694 9.43,695 10.259,696 11.087,697 11.918,698 4.3,700 1,701 2,707 1,715 8,720 4,722 12,740 2,741 94,743 16,744 2,745 46,747 96,748 36,749 12,750 4,751 8,752 6,756 3,757 3,758 2,763 2,770 8,772 18,773 18,777 4,782 1,784 2,785 1,786 4,793 50,794 6,795 2,796 8,797 2,802 4,808 1,809 2,829 3,839 1,841 1,849 4,853 1,855 2,857 1,859 3,864 2,865 2,868 44,875 1,876 16,877 1,881 2,892 2,893 2.1,895 1,896 1,901 23.333,902 16.836,903 10.278,904 6.434,907 2.739,908 1.351,909 0.931,910 16.984,911 10.542,912 4.043,913 4.489,914 4.931,915 5.317,916 5.734,917 5.635,918 5.624,919 5.704,920 5.71,921 5.644,922 0.933,923 61,924 16.365,926 6.601,927 0.026,929 7.592,931 32.143,933 25.63,936 2.092,937 92.056,941 565.013,942 173.554,943 41.045,944 78.297,945 67.828,948 173.554,949 711.138,950 41.045,951 17.65,952 37.122,953 112.773,954 78.475,955 36.407,957 565.013,958 78.297,959 565.013,960 214.599,961 67.828,962 78.297,964 400.217,965 232.624,968 95.817,969 97.073,970 100.007,972 565.013,973 108.873,974 251.851,977 565.013,978 61.141,979 118.662,980 18.011,981 162.911,982 565.013,983 108.873,984 251.851,986 0.555,987 0.32,988 0.163,989 0.09,990 19,991 10,992 0.219,993 21,995 1,996 5.669,997 377.239,999 18,1000 240.215,1005 36.16,1006 20.666,1007 13.301,1009 108.873,1010 16.072,1015 3.998,1017 60.694,1018 925.737,1019 56,1024 12.586,1026 2.969,1027 4.468,1028 0.756,1031 92.916,1032 106.265,1034 0.22,1035 0.503,1036 0.692,1037 0.793,1038 0.826,1039 0.845,1040 5.247,1041 1.822,1042 6.071,1043 4.72,1044 4.762,1045 5.176,1046 1.619,1047 6.772,1048 4.671,1049 6.384,1050 1.675,1051 7.565,1052 3.789,1053 4.111,1054 4.745,1055 0.57,1056 7.476,1057 3.899,1058 7.642,1059 1.47,1060 9.162,1061 3.755,1062 6.248,1063 7.183,1064 1.171,1065 10.535,1066 6.072,1067 8.935,1068 1.44,1069 10.823,1070 3.64,1071 6.463,1072 7.62,1073 0.674,1074 12.086,1075 6.171,1076 10.265,1077 1.414,1078 12.525,1079 3.538,1080 8.001,1081 9.508,1082 0.92,1083 14.627,1084 7.739,1085 11.621,1086 1.414,1087 14.255,1088 3.005,1089 8.641,1090 10.363,1091 0.66,1092 16.524,1093 8.285,1094 12.996,1095 1.355,1096 16.004,1097 2.97,1098 9.916,1099 12,1100 0.757,1101 18.87,1102 9.574,1103 2.988,1104 1.227,1105 17.766,1106 2.933,1107 10.769,1108 13.07,1109 0.611,1110 20.923,1111 10.359,1112 2.84,1113 9.366,1114 19.539,1115 2.584,1116 11.926,1117 14.578,1118 0.64,1119 23.189,1120 11.515,1121 2.84,1122 8.744,1123 21.319,1124 3.846,1125 12.886,1126 15.762,1127 0.55,1128 25.317,1129 12.427,1130 2.422,1131 8.744,1132 23.104,1133 3.779,1134 13.989,1135 17.199,1136 0.548,1137 27.548,1138 13.522,1139 2.362,1140 7.583,1141 24.894,1142 3.779,1143 15.003,1144 18.446,1145 0.487,1146 29.715,1147 14.502,1148 2.361,1149 6.604,1150 26.688,1151 3.014,1152 16.084,1153 19.843,1154 0.471,1155 31.933,1156 15.571,1157 1.835,1158 6.604,1159 28.484,1160 2.463,1161 17.125,1162 21.126,1163 0.427,1164 34.12,1165 16.587,1166 43864,1167 68082,1168 30.394,1169 60.921,1170 65.181,1171 66.61,1172 67.387,1173 64.95,1174 64.569,1175 78.196,1176 6.355,1177 168.464,1178 61.411,1179 5.347,1180 5.581,1181 6.114,1182 5.006,1183 4.988,1184 6.846,1185 1.605,1186 16.052,1187 4.947,1188 24.122,1189 1.417,1190 1.448,1191 1.465,1192 1.412,1193 1.404,1194 1.7,1195 0.138,1196 3.662,1197 1.335,1198 3.984,1199 4.024,1200 4.031,1201 3.902,1202 7.428,1203 3.895,1204 3.92,1205 3.953,1206 4,1207 3.861,1208 6.469,1209 3.852,1210 3.905,1211 3.933,1212 3.88,1213 3.797,1214 4.943,1215 3.809,1216 3.757,1217 3.821,1218 3.625,1219 3.623,1220 4.921,1221 3.609,1222 3.743,1223 3.799,1224 3.619,1225 3.617,1226 4.618,1227 3.604,1228 3.609,1229 3.687,1230 3.476,1231 3.425,1232 4.363,1233 3.422,1234 3.574,1235 3.648,1236 3.425,1237 3.402,1238 4.352,1239 3.395,1240 3.401,1241 3.487,1242 3.293,1243 3.219,1244 4.343,1245 3.208,1246 0.095,1247 0.078,1248 0.136,1249 0.086,1250 0.065,1251 4.381,1252 0.084,1253 3.581,1254 0.02,1255 6.25,1256 0.204,1257 3.974,1258 0.064,1259 2.988,1260 3.846,1261 0.916,1262 9.366,1263 2.947,1264 1.914,1265 1.887,1266 2.049,1267 2.025,1268 1.381,1269 2.037,1270 1.913,1271 1.887,1272 2.045,1273 2.018,1274 1.378,1275 2.032,1276 1.856,1277 1.829,1278 1.999,1279 1.998,1280 1.214,1281 1.996,1282 1.769,1283 1.707,1284 1.989,1285 1.924,1286 1.21,1287 1.952,1288 1.741,1289 1.684,1290 1.906,1291 1.892,1292 1.08,1293 1.909,1294 1.596,1295 1.519,1296 1.855,1297 1.805,1298 1.064,1299 1.827,1300 1.572,1301 1.497,1302 1.83,1303 1.771,1304 0.983,1305 1.797,1306 1.408,1307 1.325,1308 1.719,1309 1.63,1310 0.951,1311 1.664,1312 4.533,1314 5.784,1316 7.219,1318 8.745,1320 10.32,1322 4.365,1323 12.638,1327 10.467,1328 15.673,1329 3.225,1333 4.837,1340 55.813,1341 135.821,1342 309.881,1343 426.647,1344 488.357,1345 509.112,1346 520.622,1347 130.056,1348 7.803,1349 68.17,1350 68.17,1351 18,1352 12.491,1353 4.087,1354 3.459,1355 103.135,1356 358,1357 290,1358 0.132,1359 356.476,1360 638.08,1361 861.561,1362 37940,1363 2.1,1364 31.572,1365 0.718,1366 0.638,1367 32.572,1368 28.052,1369 21.405,1370 0.465,1371 0.37,1372 16.206,1373 20.324,1374 15.719,1375 13.133,1376 21.983,1377 17.033,1378 17.7,1379 0.305,1380 0.21,1381 18.442,1382 12.209,1383 14.338,1384 0.205,1385 0.126,1386 15.098,1387 8.794,1388 10.669,1389 0.133,1390 0.071,1391 11.176,1392 5.684,1393 8.477,1394 0.09,1395 0.042,1396 8.932,1397 3.947,1398 0.226,1399 138.071,1400 0.181,1401 41.136,1402 0.319,1403 208,1404 523.56,1405 250.851,1406 572.846,1407 752.81,1408 534,1409 232,1410 488.42,1411 268.177,1412 518.422,1413 749.78,1414 488,1415 6.227}
{0 CHEMBL243062,1 1.494,2 22.5,3 7.465,4 55.722,5 208.39,6 7.753,7 0.24,8 4.666,9 4.796,10 4.256,11 4.184,12 5.644,13 4.12,14 5.241,15 5.451,16 4.614,17 4.562,18 6.114,19 4.46,20 5.502,21 5.741,22 4.959,23 4.741,24 6.405,25 4.617,26 5.611,27 5.857,28 4.945,29 4.805,30 6.482,31 4.649,32 5.683,33 5.948,34 5.022,35 4.861,36 6.497,37 4.664,38 5.705,39 5.973,40 4.645,41 4.835,42 6.485,43 4.639,44 5.657,45 5.922,46 4.571,47 4.791,48 6.436,49 4.579,50 5.613,51 5.897,52 4.499,53 4.708,54 6.35,55 4.48,56 0.083,57 1.379,58 22.615,59 10.13,60 14.914,61 13.838,62 0.383,63 2.192,64 48.054,65 16.403,66 33.724,67 22.85,68 0.688,69 2.677,70 76.627,71 21.517,72 66.9,73 30.018,74 0.921,75 2.877,76 90.71,77 24.557,78 79.286,79 33.757,80 0.755,81 3.034,82 132.17,83 28.55,84 87.801,85 37.801,86 0.797,87 3.012,88 105.662,89 27.874,90 80.425,91 37.39,92 0.795,93 2.863,94 101.767,95 27.287,96 77.613,97 36.2,98 0.628,99 2.678,100 100.723,101 26.335,102 69.874,103 35.221,104 81,105 64,106 0.219,107 0.486,108 0.68,109 0.768,110 0.798,111 0.814,112 3.894,113 1.136,114 -4.89,115 -4.8,116 -4.5,119 2,121 37.3,122 2,123 8,126 2,127 8,140 4,144 8,145 2,146 2,158 2,176 14,180 11,185 1,187 12,191 1,192 11,196 1,197 3,200 6,205 2,206 11,209 2,211 3,214 6,219 6,222 2,224 2,227 11,232 6,237 2,239 18,243 1,244 5,247 1,249 3,251 18,256 5,261 3,264 12,269 6,274 4,277 9,281 6704,282 32.794,283 32.794,284 32.794,285 32.794,286 32.794,287 30.328,288 39.05,289 20,290 33.751,291 24.368,292 24.368,293 24.368,294 24.368,295 24.368,296 20.646,297 47.764,298 9.138,299 25.8,300 5.178,301 3.351,302 2.029,303 1.424,304 1.221,305 1.108,306 4.576,312 1,313 2232,314 5.568,318 648.391,325 4.375,326 40.756,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 101.5,338 1080,339 4.651,340 3.82,341 6.906,342 4.209,343 3.271,344 4.188,345 0.916,346 11.366,347 3.033,348 4.206,349 3.188,350 6.159,351 3.84,352 2.875,353 3.805,354 0.916,355 9.118,356 2.773,357 4.206,358 3.188,359 6.159,360 3.84,361 2.875,362 3.805,363 0.86,364 9.118,365 2.773,366 3.831,367 3.096,368 5.987,369 3.4,370 2.447,371 3.126,372 0.86,373 8.207,374 2.342,375 3.719,376 2.887,377 5.791,378 3.304,379 2.38,380 2.97,381 0.6,382 7.292,383 2.197,384 3.43,385 2.729,386 5.284,387 3.303,388 2.38,389 2.467,390 0.4,391 6.713,392 2.197,393 3.43,394 2.729,395 5.284,396 3.186,397 2.303,398 2.467,399 0.172,400 6.713,401 1.915,402 2.917,403 2.143,404 4.316,405 2.815,406 1.833,407 2.088,408 0.172,409 4.045,410 1.797,411 2.917,412 1.985,413 4.316,414 2.779,415 1.791,416 2.088,418 4.043,419 1.751,420 2.897,421 1.959,422 4.151,423 2.5,424 1.552,425 1.963,427 3.774,428 1.466,429 2.862,430 1.945,431 3.849,432 2.492,433 1.545,434 1.959,436 3.615,437 1.455,438 2.825,439 1.801,440 3.771,441 2.443,442 1.459,443 1.859,445 3.127,446 1.432,447 2.77,448 1.686,449 3.622,450 2.432,451 1.438,452 1.782,454 3.028,455 1.427,456 2.592,457 1.538,458 3.619,459 2.342,460 1.376,461 1.527,463 3,464 1.32,465 2.339,466 1.507,467 3.618,468 2.252,469 1.281,470 1.32,472 2.682,473 1.231,474 24.6,475 0.513,476 0.836,477 0.017,478 48,479 1,480 19,481 0.396,482 29,483 0.604,484 67.676,485 1.41,486 54.6,487 0.535,488 34.588,489 0.721,490 8.76,491 0.182,492 14.577,493 0.304,494 0.217,496 0.236,501 0.844,502 1.472,503 0.557,504 1.065,505 0.735,506 1.092,507 1.123,508 1.128,509 0.608,510 0.859,511 0.707,512 0.943,513 0.776,514 1.096,515 0.735,516 0.939,517 0.645,518 0.919,519 0.851,520 1.087,521 0.869,522 1.015,523 0.757,524 1.02,525 0.789,526 1.031,527 0.905,528 1.012,529 0.844,530 1.036,531 1.145,532 0.956,533 1.062,534 1.01,535 1.173,536 1.034,537 1.114,538 0.977,539 1.116,540 1.078,541 1.178,542 1.115,543 0.891,544 1.019,545 1.105,546 1.062,547 1.1,548 1.05,549 7,550 0.264,551 4.889,552 3.25,553 2.871,554 1.264,555 0.893,556 0.573,557 0.353,558 0.282,559 53892,560 128734,561 1.972,562 52.9,563 8,564 30,567 2,569 14,572 1.835,573 1.846,574 4.353,575 0.065,582 152.402,583 1.494,584 3.321,585 4.643,586 5.248,587 5.452,588 5.564,589 3.772,590 4.304,591 5.554,592 4.676,593 5274.8,594 9.82,595 125298,600 680.587,601 1.384,602 5.513,603 0.14,604 0.006,605 0.076,606 0.045,607 0.042,608 0.02,609 0.015,610 0.011,611 0.008,612 0.006,613 0.37,614 0.17,615 0.75,616 0.846,617 300.215,618 -0.014,619 -0.185,620 0.006,621 -0.06,622 -0.009,623 -0.023,624 -0.105,625 0.028,626 0.028,627 0.065,628 0.006,629 0.043,630 0.165,631 -0.023,632 0.121,633 0.026,634 0.214,635 0.071,636 0.145,637 -0.054,638 0.063,639 -0.034,640 0.123,641 -0.029,642 0.039,643 -0.036,644 0.097,645 -0.01,646 0.061,647 -0.033,648 -0.131,649 0.018,650 -0.067,651 -0.025,652 -0.127,653 -0.05,654 -0.118,655 -0.006,656 -0.087,657 -0.075,658 -0.149,659 -0.121,660 -0.047,661 -0.09,662 -0.048,663 -0.057,664 -0.097,665 -0.052,666 1.883,667 6.122,668 0.375,669 99.639,670 0.992,671 1.13,672 3.663,673 13.419,674 0.65,675 3.932,676 4.174,677 4.419,678 4.575,679 4.71,680 4.654,681 4.575,682 4.511,683 4.489,684 4.489,685 13.507,686 0.595,687 790.76,688 3.932,689 5.434,690 6.256,691 7.094,692 7.935,693 8.783,694 9.632,695 10.486,696 11.34,697 12.198,698 3.9,700 1,701 2,707 1,715 8,720 4,722 12,739 2,741 102,743 16,744 2,745 50,746 2,747 104,748 38,749 12,750 4,751 8,752 6,753 2,756 3,757 3,763 2,770 8,772 18,773 20,776 2,777 4,782 1,785 1,786 6,793 54,794 8,795 2,796 10,797 2,802 4,808 1,809 4,829 3,839 1,841 1,849 4,853 1,855 2,857 1,859 3,863 2,864 4,868 48,875 1,876 16,877 1,878 2,881 2,892 2,893 3.9,895 1,896 1,898 2,901 26,902 19.002,903 11.389,904 6.767,907 2.82,908 1.352,909 0.926,910 19.089,911 10.834,912 4.111,913 4.575,914 5.066,915 5.471,916 5.86,917 5.847,918 5.862,919 5.847,920 5.852,921 5.84,922 0.933,923 73,924 17.863,926 7.166,927 0.026,929 7.576,931 34.981,933 27.593,936 2.076,937 99.667,941 612.097,942 185.964,943 132.953,945 89.828,948 277.872,949 701.925,950 41.045,951 39.417,952 37.122,953 93.821,954 84.585,955 61.892,957 612.097,958 91.908,959 612.097,960 227.008,961 89.828,963 91.908,964 447.302,965 254.623,968 95.817,969 122.324,970 8.867,971 91.908,972 612.097,973 130.873,974 277.872,977 612.097,978 70.737,979 121.475,980 109.919,981 106.614,982 612.097,983 130.873,984 277.872,986 0.555,987 0.338,988 0.178,989 0.093,990 21,991 12,992 0.221,993 23,995 1,996 5.808,997 436.847,999 18,1000 268.078,1005 40.43,1006 22.664,1007 13.008,1009 130.873,1010 16.391,1015 4.297,1017 60.694,1018 1020.84,1019 60,1024 13.122,1027 4.567,1028 1.173,1031 101.148,1032 115.309,1034 0.224,1035 0.498,1036 0.696,1037 0.787,1038 0.817,1039 0.834,1040 5.328,1041 1.833,1042 6.201,1043 6.713,1044 4.86,1045 5.263,1046 2.08,1047 6.963,1048 4.744,1049 6.478,1050 1.791,1051 7.736,1052 4.045,1053 4.29,1054 4.934,1055 0.57,1056 7.837,1057 4.056,1058 7.758,1059 1.552,1060 9.382,1061 4.043,1062 6.399,1063 7.325,1064 1.689,1065 10.947,1066 6.18,1067 9.08,1068 1.545,1069 11.096,1070 3.774,1071 6.735,1072 7.895,1073 0.674,1074 12.681,1075 6.385,1076 10.443,1077 1.459,1078 12.855,1079 3.615,1080 8.24,1081 9.729,1082 1.417,1083 15.321,1084 7.905,1085 11.835,1086 1.438,1087 14.645,1088 3.127,1089 9.002,1090 10.709,1091 0.66,1092 17.404,1093 8.548,1094 13.249,1095 1.376,1096 16.456,1097 3.028,1098 10.275,1099 12.316,1100 1.203,1101 19.896,1102 9.812,1103 3.271,1104 1.281,1105 18.283,1106 3,1107 11.242,1108 13.497,1109 0.611,1110 22.142,1111 10.677,1112 2.875,1113 11.366,1114 20.122,1115 2.682,1116 12.427,1117 15,1118 1.023,1119 24.584,1120 11.829,1121 2.875,1122 9.118,1123 21.972,1124 4.188,1125 13.493,1126 16.284,1127 0.55,1128 26.913,1129 12.803,1130 2.447,1131 9.118,1132 23.831,1133 3.805,1134 14.65,1135 17.737,1136 0.869,1137 29.339,1138 13.91,1139 2.38,1140 8.207,1141 25.696,1142 3.805,1143 15.763,1144 19.076,1145 0.487,1146 31.713,1147 14.938,1148 2.38,1149 7.292,1150 27.569,1151 3.126,1152 16.916,1153 20.505,1154 0.735,1155 34.136,1156 16.027,1157 2.303,1158 6.713,1159 29.447,1160 2.97,1161 18.054,1162 21.875,1163 0.427,1164 36.534,1165 17.082,1166 52720,1167 81884,1168 32.591,1169 66.342,1170 70.956,1171 73.442,1172 75.093,1173 70.807,1174 70.572,1175 84.688,1176 9.795,1177 189.373,1178 66.059,1179 5.618,1180 5.82,1181 6.768,1182 5.241,1183 5.271,1184 7.188,1185 1.776,1186 19.366,1187 5.033,1188 28.977,1189 1.419,1190 1.469,1191 1.502,1192 1.416,1193 1.411,1194 1.694,1195 0.196,1196 3.787,1197 1.321,1198 3.993,1199 4.03,1200 6.886,1201 3.902,1202 7.428,1203 3.898,1204 3.925,1205 3.956,1206 6.875,1207 3.845,1208 6.467,1209 3.844,1210 3.912,1211 3.931,1212 3.904,1213 3.842,1214 4.877,1215 3.835,1216 3.758,1217 3.823,1218 3.861,1219 3.624,1220 4.847,1221 3.609,1222 3.746,1223 3.799,1224 3.749,1225 3.622,1226 4.616,1227 3.607,1228 3.61,1229 3.688,1230 3.609,1231 3.426,1232 4.394,1233 3.423,1234 3.576,1235 3.648,1236 3.591,1237 3.405,1238 4.392,1239 3.397,1240 3.402,1241 3.487,1242 3.462,1243 3.23,1244 4.356,1245 3.213,1246 0.093,1247 0.076,1248 0.138,1249 0.084,1250 0.065,1251 4.651,1252 0.084,1253 3.82,1254 0.018,1255 6.906,1256 0.227,1257 4.209,1258 0.061,1259 3.271,1260 4.188,1261 0.916,1262 11.366,1263 3.033,1264 1.913,1265 1.887,1266 2.052,1267 2.033,1268 1.381,1269 2.041,1270 1.913,1271 1.887,1272 2.051,1273 2.031,1274 1.378,1275 2.039,1276 1.85,1277 1.834,1278 2.001,1279 1.982,1280 1.216,1281 1.985,1282 1.769,1283 1.707,1284 1.996,1285 1.931,1286 1.211,1287 1.957,1288 1.739,1289 1.685,1290 1.872,1291 1.889,1292 1.084,1293 1.897,1294 1.596,1295 1.519,1296 1.857,1297 1.81,1298 1.065,1299 1.829,1300 1.571,1301 1.498,1302 1.784,1303 1.767,1304 0.989,1305 1.79,1306 1.407,1307 1.325,1308 1.717,1309 1.629,1310 0.951,1311 1.663,1312 4.615,1314 5.878,1316 7.34,1318 8.904,1320 10.528,1321 6.86,1322 7.823,1327 10.893,1328 15.378,1329 3.268,1330 11.017,1333 4.877,1340 60.692,1341 152.402,1342 338.763,1343 473.594,1344 535.303,1345 556.058,1346 567.568,1347 156.871,1348 8.013,1349 86.63,1350 86.63,1351 18,1352 12.751,1353 4.087,1354 3.459,1355 118.749,1356 392,1357 326,1358 0.139,1359 390.815,1360 698.4,1361 945.349,1362 48194,1363 2,1364 34.727,1365 0.723,1366 0.674,1367 36.727,1368 32.374,1369 23.336,1370 0.467,1371 0.379,1372 17.23,1373 21.543,1374 16.621,1375 13.926,1376 24.491,1377 18.933,1378 18.9,1379 0.295,1380 0.213,1381 20.233,1382 13.613,1383 16.268,1384 0.198,1385 0.125,1386 18.176,1387 10.217,1388 12.354,1389 0.129,1390 0.071,1391 13.788,1392 6.831,1393 9.298,1394 0.085,1395 0.044,1396 10.649,1397 4.853,1398 0.236,1399 162.28,1400 0.175,1401 43.681,1402 0.341,1403 228,1404 619.933,1405 377.311,1406 665.231,1407 876.11,1408 622,1409 260,1410 567.252,1411 364.512,1412 603.726,1413 881.1,1414 564,1415 8.575}
{0 CHEMBL243130,1 1.395,2 13.875,3 5.489,4 30.128,5 127.124,6 7.281,7 0.514,8 4.162,9 4.262,10 3.716,11 3.722,12 5.269,13 3.699,14 4.687,15 4.851,16 4.055,17 4.092,18 5.747,19 4.058,20 4.855,21 4.998,22 4.173,23 4.272,24 5.916,25 4.211,26 5.065,27 5.279,28 4.123,29 4.292,30 6.059,31 4.197,32 5.067,33 5.29,34 4.04,35 4.245,36 6.065,37 4.146,38 4.972,39 5.195,40 3.881,41 4.182,42 5.942,43 4.053,44 4.907,45 5.176,46 3.788,47 4.071,48 5.789,49 3.931,50 4.679,51 4.879,52 3.718,53 3.929,54 5.723,55 3.83,56 0.008,57 0.75,58 12.091,59 5.798,60 8.656,61 7.229,62 0.336,63 1.232,64 23.249,65 9.161,66 31.007,67 11.642,68 0.194,69 1.455,70 26.157,71 11.681,72 24.113,73 14.89,74 0.34,75 1.755,76 35.467,77 14,78 46.636,79 18.725,80 0.513,81 1.723,82 36.768,83 13.626,84 59.03,85 17.982,86 0.385,87 1.558,88 32.82,89 13.231,90 53.063,91 17.628,92 0.329,93 1.463,94 31.901,95 12.641,96 45.458,97 17.699,98 0.342,99 1.169,100 24.12,101 9.504,102 43.505,103 12.386,104 30,105 49,106 0.225,107 0.532,108 0.714,109 0.8,110 0.838,111 0.849,112 3.502,113 0.9,114 -5.48,115 -5.35,116 -5,121 45.8,122 1,126 3,127 2,137 1,138 1,144 10,145 5,146 3,160 1,176 17,179 1,180 8,187 20,191 1,192 12,200 16,205 1,206 13,214 9,218 1,219 9,227 10,231 1,232 5,239 14,243 1,244 4,251 15,255 2,256 5,264 12,269 4,277 8,281 1796,282 21.704,283 21.704,284 21.704,285 21.704,286 21.704,287 19.216,288 24.286,289 12.631,290 22.238,291 17.146,292 17.146,293 17.146,294 17.146,295 17.146,296 13.233,297 30.461,298 5.837,299 17.799,300 4.488,301 2.59,302 1.462,303 0.933,304 0.695,305 0.627,306 4.197,311 1,312 1,313 955,314 3.464,318 412.708,322 157.924,325 2.266,326 24.909,329 0.75,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.86,337 68.5,338 444,339 4.511,340 3.729,341 6.553,342 4.125,343 3.149,344 4.166,345 1.674,346 10.396,347 3.074,348 4.247,349 3.234,350 6.271,351 3.858,352 2.883,353 3.834,354 0.995,355 9.454,356 2.814,357 4.175,358 3.13,359 6.054,360 3.82,361 2.834,362 3.778,363 0.86,364 8.708,365 2.788,366 3.912,367 2.856,368 5.835,369 3.549,370 2.575,371 3.366,372 0.86,373 7.956,374 2.508,375 3.66,376 2.7,377 5.478,378 3.324,379 2.374,380 2.99,381 0.359,382 7.313,383 2.241,384 3.357,385 2.573,386 5.049,387 3.034,388 2.071,389 2.538,391 5.807,392 1.982,393 3.193,394 2.251,395 4.803,396 2.856,397 1.896,398 2.353,400 5.393,401 1.807,402 3.071,403 2.191,404 4.695,405 2.676,406 1.713,407 2.223,409 4.95,410 1.639,411 2.865,412 1.697,413 4.153,414 2.414,415 1.414,416 2.017,418 3.589,419 1.414,420 2.756,421 1.604,422 4.075,423 2.369,424 1.386,425 1.826,427 3.407,428 1.36,429 2.641,430 1.466,431 3.596,432 2.184,433 1.275,434 1.584,436 2.957,437 1.146,438 2.5,439 1.163,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.019,448 1.003,449 3.4,450 1.61,451 0.666,452 0.851,454 1.492,455 0.618,456 1.497,457 1,458 2.954,459 1.234,460 0.384,461 0.415,463 0.537,464 0.323,465 1.422,466 0.766,467 2.847,468 1.173,469 0.197,470 0.232,472 0.467,473 0.192,474 15.233,475 0.476,476 0.78,477 0.024,478 42.5,479 1.328,480 22.5,481 0.703,482 20,483 0.625,484 26.285,485 0.821,486 33.967,487 0.576,488 34.413,489 1.075,490 8.895,491 0.278,492 6.582,493 0.206,494 0.153,496 0.354,501 0.787,502 1.231,503 0.787,504 1.117,505 0.648,506 0.978,507 1.13,508 0.767,509 0.846,510 0.73,511 0.674,512 0.729,513 0.822,514 1.273,515 0.997,516 1.23,517 0.729,518 1.157,519 0.856,520 1.141,521 0.961,522 1.093,523 0.856,524 1.049,525 1.167,526 0.926,527 1.048,528 0.93,529 1.199,530 0.958,531 0.879,532 1.043,533 1.07,534 1.083,535 1.105,536 1.105,537 0.503,538 0.851,539 0.732,540 0.853,541 0.541,542 0.834,543 1.086,544 0.999,545 1.099,546 1.026,547 1.587,548 1.062,549 7,550 0.194,551 3.778,552 2.25,553 2.373,554 1.028,555 0.908,556 0.436,557 0.295,558 0.219,559 15345,560 38032,561 2.063,562 45.8,563 3,564 24,572 1.74,573 1.92,574 3.728,575 -0.836,582 82.312,583 1.395,584 3.293,585 4.421,586 4.95,587 5.187,588 5.255,589 3.254,590 4.75,591 4.97,592 3.925,593 1946.61,594 8.666,595 29413.6,600 347.076,601 1.448,602 4.925,603 0.2,604 0.008,605 0.077,606 0.042,607 0.049,608 0.023,609 0.025,610 0.012,611 0.009,612 0.008,613 0.455,614 0.33,615 0.88,616 0.825,617 170.763,618 0.004,619 -0.144,620 0.067,621 -0.081,622 -0.041,623 -0.012,624 -0.021,625 0.308,626 0.108,627 0.251,628 0.081,629 0.215,630 0.06,631 -0.237,632 -0.095,633 -0.212,634 0.036,635 -0.185,636 0.058,637 -0.139,638 0.008,639 -0.114,640 0.063,641 -0.068,642 -0.05,643 0.071,644 -0.041,645 0.033,646 -0.029,647 0.007,648 0.014,649 -0.079,650 -0.098,651 -0.089,652 -0.033,653 -0.108,654 0.162,655 0.092,656 0.251,657 0.14,658 0.196,659 0.198,660 -0.021,661 -0.003,662 -0.121,663 -0.043,664 -0.135,665 -0.093,666 2.047,667 5.639,668 0.688,669 37.766,670 0.998,671 1.114,672 4.246,673 18.029,674 0.673,675 3.584,676 3.912,677 4.19,678 4.443,679 4.7,680 4.754,681 4.913,682 5.05,683 5.136,684 5.147,685 8.068,686 0.639,687 429.55,688 3.584,689 5.13,690 5.984,691 6.864,692 7.734,693 8.617,694 9.494,695 10.379,696 11.261,697 12.147,698 1.7,701 1,715 10,720 8,722 18,739 2,741 59,743 20,744 3,745 35,747 62,748 27,749 18,750 8,751 10,752 3,756 4,757 5,763 1,772 21,773 6,777 2,782 1,784 1,786 2,793 27,794 5,796 5,802 1,808 0.75,809 4,829 4,833 1,846 1,849 1,850 1,855 1,859 3,864 4,868 32,876 2,878 3,881 1,893 6.8,896 1,898 3,901 16.667,902 12.033,903 7.139,904 3.31,907 3.723,908 1.465,909 0.976,910 6.636,911 11.724,912 3.85,913 4.449,914 5.026,915 5.571,916 6.139,917 6.37,918 6.751,919 7.143,920 7.482,921 7.744,922 1,923 53,924 11.815,926 4.923,927 0.026,929 7.661,931 22.674,933 18.245,936 2.161,937 69.167,941 317.82,942 189.473,943 3.124,945 58.145,948 189.473,949 375.964,950 3.124,951 38.988,952 4.211,953 104.239,954 32.336,955 70.968,957 317.82,959 317.82,960 192.597,961 58.145,964 317.82,965 58.145,968 16.161,969 166.96,970 9.476,972 317.82,973 61.269,974 189.473,977 317.82,978 46.246,979 146.351,981 58.145,982 317.82,983 61.269,984 189.473,986 0.58,987 0.349,988 0.189,989 0.105,990 23,991 11,992 0.113,993 7,994 1,995 1.091,996 4.321,997 287.773,998 0.091,999 22,1000 154,1005 22.128,1006 9.597,1007 4.9,1009 61.269,1010 19.98,1015 6.98,1018 568.562,1019 46,1024 12.639,1026 1.836,1028 0.138,1031 58.898,1032 65.734,1034 0.237,1035 0.56,1036 0.752,1037 0.841,1038 0.882,1039 0.893,1040 5.091,1041 1.713,1042 5.974,1043 5.393,1044 4.595,1045 5.136,1046 2.452,1047 6.786,1048 4.531,1049 6.302,1050 1.414,1051 7.536,1052 4.95,1053 4.205,1054 4.934,1055 0.325,1056 7.67,1057 4.12,1058 7.612,1059 1.386,1060 9.194,1061 3.589,1062 6.196,1063 7.315,1064 3.014,1065 10.751,1066 6.083,1067 8.956,1068 1.275,1069 10.907,1070 3.407,1071 6.594,1072 7.891,1073 0.504,1074 12.42,1075 6.459,1076 10.328,1077 1,1078 12.653,1079 2.957,1080 8.062,1081 9.76,1082 3.869,1083 15.014,1084 7.907,1085 11.72,1086 0.666,1087 14.422,1088 2.275,1089 8.827,1090 10.709,1091 0.585,1092 17.022,1093 8.648,1094 13.129,1095 0.384,1096 16.208,1097 1.492,1098 10.08,1099 12.348,1100 4.843,1101 19.436,1102 9.884,1103 3.149,1104 0.197,1105 18.006,1106 0.537,1107 11.024,1108 13.495,1109 0.622,1110 21.602,1111 10.803,1112 2.883,1113 10.396,1114 19.813,1115 0.467,1116 12.187,1117 15.018,1118 5.856,1119 23.948,1120 11.949,1121 2.834,1122 9.454,1123 21.629,1124 4.166,1125 13.218,1126 16.273,1127 0.639,1128 26.189,1129 12.955,1130 2.575,1131 8.708,1132 23.45,1133 3.834,1134 14.347,1135 17.736,1136 6.881,1137 28.511,1138 14.064,1139 2.374,1140 7.956,1141 25.277,1142 3.778,1143 15.42,1144 19.053,1145 0.646,1146 30.79,1147 15.113,1148 2.071,1149 7.313,1150 27.108,1151 3.366,1152 16.538,1153 20.486,1154 7.91,1155 33.107,1156 16.21,1157 1.896,1158 5.807,1159 28.943,1160 2.99,1161 17.634,1162 21.839,1163 0.648,1164 35.406,1165 17.281,1166 14646,1167 23298,1168 23.175,1169 39.722,1170 52.219,1171 53.799,1172 54.355,1173 51.583,1174 51.639,1175 67.344,1176 9.496,1177 149.401,1178 49.814,1179 5.404,1180 5.729,1181 6.241,1182 5.216,1183 5.149,1184 7.166,1185 3.349,1186 17.269,1187 5.074,1188 17.173,1189 1.492,1190 1.537,1191 1.553,1192 1.474,1193 1.475,1194 1.924,1195 0.271,1196 4.269,1197 1.423,1198 4.05,1199 4.066,1200 4.011,1201 3.978,1202 7.433,1203 3.982,1204 3.943,1205 3.97,1206 3.879,1207 3.879,1208 4.967,1209 3.874,1210 3.87,1211 3.89,1212 3.813,1213 3.803,1214 4.762,1215 3.804,1216 3.569,1217 3.618,1218 3.501,1219 3.407,1220 4.718,1221 3.422,1222 3.436,1223 3.473,1224 3.323,1225 3.232,1226 4.527,1227 3.243,1228 3.249,1229 3.314,1230 3.063,1231 3.024,1232 4.494,1233 3,1234 3.171,1235 3.257,1236 2.992,1237 2.953,1238 4.193,1239 2.965,1240 3.15,1241 3.216,1242 2.964,1243 2.928,1244 3.948,1245 2.929,1246 0.129,1247 0.107,1248 0.187,1249 0.118,1250 0.09,1251 4.511,1252 0.119,1253 3.729,1254 0.048,1255 6.553,1256 0.297,1257 4.125,1258 0.088,1259 3.149,1260 4.166,1261 1.674,1262 10.396,1263 3.074,1264 1.993,1265 1.979,1266 2.087,1267 2.081,1268 1.261,1269 2.08,1270 1.938,1271 1.911,1272 2.051,1273 2.03,1274 1.191,1275 2.037,1276 1.857,1277 1.84,1278 1.95,1279 1.951,1280 1.094,1281 1.955,1282 1.516,1283 1.472,1284 1.737,1285 1.73,1286 0.882,1287 1.735,1288 1.371,1289 1.324,1290 1.598,1291 1.607,1292 0.653,1293 1.596,1294 1.208,1295 1.128,1296 1.575,1297 1.524,1298 0.604,1299 1.539,1300 1.191,1301 1.116,1302 1.552,1303 1.418,1304 0.574,1305 1.469,1306 1.131,1307 1.058,1308 1.435,1309 1.368,1310 0.555,1311 1.391,1312 4.263,1314 5.587,1316 7.114,1318 8.733,1320 10.399,1322 7.382,1328 1.7,1330 16.232,1333 2.279,1340 37.729,1341 82.312,1342 194.293,1343 260.837,1344 292.056,1345 306.056,1346 310.056,1347 53.331,1348 8.001,1349 51.91,1350 51.91,1351 24,1352 12.68,1353 4.392,1354 3.585,1355 52.223,1356 156,1357 144,1358 0.163,1359 230.768,1360 410.64,1361 554.834,1362 36224,1364 22.665,1365 0.708,1366 0.589,1367 22.665,1368 18.845,1369 15.478,1370 0.442,1371 0.3,1372 10.343,1373 14.881,1374 9.911,1375 8.331,1376 15.478,1377 10.505,1378 13.82,1379 0.282,1380 0.163,1381 13.82,1382 7.988,1383 11.8,1384 0.182,1385 0.087,1386 11.8,1387 5.657,1388 9.794,1389 0.117,1390 0.046,1391 9.794,1392 3.883,1393 8.172,1394 0.075,1395 0.025,1396 8.172,1397 2.714,1398 0.262,1399 97.189,1400 0.208,1401 30.373,1402 0.427,1403 168,1404 490.587,1405 182.037,1406 467.692,1407 641.21,1408 440,1409 198,1410 467.761,1411 212.901,1412 481.285,1413 700.02,1414 446,1415 6.437}
{0 CHEMBL243269,1 1.354,2 22.5,3 7.452,4 55.534,5 201.885,6 6.121,7 0.24,8 4.714,9 4.854,10 4.09,11 4.197,12 5.677,13 4.136,14 5.294,15 5.517,16 4.367,17 4.564,18 6.138,19 4.469,20 5.541,21 5.786,22 4.528,23 4.742,24 6.407,25 4.628,26 5.693,27 5.945,28 4.509,29 4.821,30 6.563,31 4.68,32 5.776,33 6.049,34 4.447,35 4.871,36 6.595,37 4.698,38 5.803,39 6.087,40 4.373,41 4.868,42 6.541,43 4.679,44 5.783,45 6.075,46 4.269,47 4.825,48 6.499,49 4.617,50 5.719,51 6.023,52 4.169,53 4.734,54 6.404,55 4.514,56 0.12,57 1.469,58 26.549,59 10.584,60 18.109,61 15.177,62 0.405,63 2.304,64 46.886,65 16.248,66 36.667,67 24.376,68 0.543,69 2.821,70 59.474,71 20.732,72 60.33,73 31.152,74 0.882,75 3.121,76 69.54,77 23.399,78 88.561,79 35.099,80 0.819,81 3.303,82 74.175,83 26.007,84 102.507,85 38.833,86 0.737,87 3.292,88 75.586,89 26.841,90 79.757,91 39.859,92 0.764,93 3.168,94 73.699,95 26.699,96 78.85,97 39.297,98 0.585,99 2.93,100 68.3,101 24.875,102 68.764,103 37.05,104 81,105 64,106 0.196,107 0.463,108 0.68,109 0.762,110 0.798,111 0.814,112 3.894,113 1.078,114 -4.72,115 -4.64,116 -4.36,121 37,122 4,123 8,126 2,127 8,138 2,140 2,144 8,145 2,146 2,158 2,176 16,180 13,185 3,187 12,191 1,192 13,196 1,197 5,200 7,205 2,206 11,209 2,211 3,214 10,219 6,222 2,224 2,227 15,232 6,237 2,239 22,243 1,244 5,247 1,249 3,251 22,256 5,261 3,264 14,269 8,274 4,277 9,281 6704,282 32.794,283 32.794,284 32.794,285 32.794,286 32.794,287 30.328,288 39.645,289 20,290 33.544,291 24.368,292 24.368,293 24.368,294 24.368,295 24.368,296 20.646,297 49.219,298 9.138,299 25.306,300 5.401,301 3.554,302 2.06,303 1.489,304 1.241,305 1.135,306 4.576,312 1,313 2232,314 5.568,318 648.391,325 4.375,326 38.854,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 102,338 1080,339 4.651,340 3.751,341 6.906,342 4.26,343 3.271,344 4.188,345 0.916,346 11.366,347 3.237,348 4.206,349 3.188,350 6.159,351 3.84,352 2.875,353 3.805,354 0.916,355 9.118,356 2.773,357 4.206,358 3.188,359 6.159,360 3.84,361 2.875,362 3.805,363 0.86,364 9.118,365 2.773,366 3.831,367 3.008,368 5.987,369 3.412,370 2.447,371 3.126,372 0.86,373 8.207,374 2.358,375 3.719,376 2.73,377 5.791,378 3.305,379 2.38,380 2.97,381 0.6,382 7.292,383 2.298,384 3.43,385 2.729,386 5.284,387 3.304,388 2.38,389 2.467,390 0.4,391 6.713,392 2.197,393 3.43,394 2.726,395 5.284,396 3.303,397 2.303,398 2.467,399 0.172,400 6.713,401 2.197,402 2.917,403 2.069,404 4.316,405 2.817,406 1.833,407 2.088,408 0.172,409 4.045,410 1.802,411 2.917,412 1.963,413 4.316,414 2.782,415 1.791,416 2.088,418 4.043,419 1.773,420 2.897,421 1.957,422 4.151,423 2.501,424 1.552,425 1.963,427 3.774,428 1.468,429 2.862,430 1.853,431 3.849,432 2.492,433 1.545,434 1.959,436 3.615,437 1.457,438 2.825,439 1.739,440 3.771,441 2.444,442 1.459,443 1.859,445 3.127,446 1.432,447 2.77,448 1.563,449 3.622,450 2.433,451 1.438,452 1.782,454 3.028,455 1.428,456 2.592,457 1.515,458 3.619,459 2.348,460 1.376,461 1.527,463 3,464 1.332,465 2.339,466 1.491,467 3.618,468 2.259,469 1.281,470 1.32,472 2.682,473 1.25,474 22.933,475 0.478,476 0.836,477 0.017,478 48,479 1,480 19,481 0.396,482 29,483 0.604,484 62.35,485 1.299,486 56.267,487 0.521,488 39.914,489 0.832,490 9.277,491 0.193,492 14.06,493 0.293,494 0.16,496 0.253,501 0.882,502 1.51,503 1.021,504 1.331,505 0.77,506 1.21,507 1.165,508 1.127,509 1.031,510 1.02,511 0.71,512 1.001,513 0.883,514 1.161,515 0.938,516 1.073,517 0.7,518 1.013,519 1.197,520 1.113,521 1.122,522 1.081,523 1.218,524 1.089,525 1,526 1.037,527 1.081,528 1.056,529 1.203,530 1.071,531 1.067,532 0.985,533 1.075,534 1.022,535 1.104,536 1.046,537 0.993,538 0.943,539 1.067,540 1.019,541 1.06,542 1.051,543 0.789,544 1.006,545 0.959,546 1.021,547 1.01,548 1.015,549 7,550 0.264,551 4.889,552 3.25,553 2.871,554 1.264,555 0.893,556 0.573,557 0.353,558 0.282,559 53892,560 113122,561 1.972,562 55.6,563 14,564 30,567 2,569 14,572 1.835,573 1.846,574 4.353,575 0.023,582 146.237,583 1.354,584 3.201,585 4.695,586 5.266,587 5.514,588 5.62,589 3.772,590 4.304,591 5.554,592 4.676,593 5274.8,594 9.82,595 125298,600 729.528,601 1.384,602 5.513,603 0.14,604 0.006,605 0.076,606 0.045,607 0.042,608 0.02,609 0.015,610 0.011,611 0.008,612 0.006,613 0.37,614 0.17,615 0.75,616 0.846,617 300.215,618 0.003,619 -0.183,620 0.043,621 -0.08,622 -0.013,623 -0.025,624 -0.09,625 0.037,626 0.017,627 0.047,628 0.014,629 0.047,630 0.078,631 -0.058,632 0.08,633 -0.031,634 0.164,635 0.019,636 0.002,637 -0.053,638 -0.087,639 -0.074,640 -0.001,641 -0.09,642 -0.021,643 -0.022,644 -0.085,645 -0.058,646 -0.008,647 -0.075,648 -0.097,649 -0.006,650 -0.091,651 -0.034,652 -0.102,653 -0.057,654 -0.065,655 0.011,656 -0.095,657 -0.037,658 -0.099,659 -0.066,660 -0.012,661 -0.079,662 -0.012,663 -0.045,664 -0.064,665 -0.033,666 1.752,667 6.198,668 0.375,669 99.639,670 0.986,671 1.134,672 3.493,673 12.204,674 0.622,675 3.932,676 4.174,677 4.419,678 4.575,679 4.71,680 4.654,681 4.575,682 4.511,683 4.489,684 4.489,685 13.507,686 0.571,687 661.04,688 3.932,689 5.434,690 6.256,691 7.094,692 7.935,693 8.783,694 9.632,695 10.486,696 11.34,697 12.198,698 3.7,700 1,701 2,707 1,715 8,720 4,722 12,739 2,741 108,743 16,744 2,745 50,747 110,748 40,749 12,750 4,751 8,752 6,756 3,757 3,763 4,770 8,772 18,773 22,777 4,782 1,785 1,786 6,793 60,794 8,795 2,796 8,802 4,808 1,809 4,829 3,839 1,841 1,849 2,850 2,853 1,855 2,857 1,859 3,864 6,868 48,875 1,876 16,877 1,878 2,881 2,893 3.7,895 1,896 1,898 2,901 26,902 20.717,903 11.389,904 7.196,907 2.82,908 1.352,909 0.918,910 18.007,911 10.834,912 4.111,913 4.575,914 5.066,915 5.471,916 5.86,917 5.847,918 5.862,919 5.847,920 5.852,921 5.84,922 0.933,923 73,924 17.881,926 7.142,927 0.026,929 7.545,931 35.189,933 27.755,936 2.045,937 98.167,941 682.724,942 203.875,943 41.045,945 89.828,948 203.875,949 772.552,950 41.045,951 57.067,952 37.122,953 93.821,954 78.475,955 68.263,957 682.724,959 682.724,960 244.92,961 89.828,964 517.928,965 254.623,968 113.468,969 128.695,970 2.757,972 682.724,973 130.873,974 203.875,977 682.724,978 70.998,979 139.126,980 18.011,981 106.614,982 682.724,983 130.873,984 203.875,986 0.555,987 0.338,988 0.178,989 0.093,990 21,991 12,992 0.209,993 23,995 1,996 5.808,997 436.847,999 18,1000 268.078,1005 39.477,1006 21.895,1007 12.465,1009 130.873,1010 16.441,1015 4.328,1017 60.694,1018 1017.47,1019 60,1024 13.198,1027 4.644,1028 2.129,1031 106.457,1032 122.456,1034 0.2,1035 0.474,1036 0.695,1037 0.78,1038 0.816,1039 0.832,1040 5.328,1041 1.833,1042 6.201,1043 6.713,1044 4.86,1045 5.263,1046 2.08,1047 6.963,1048 4.792,1049 6.478,1050 1.791,1051 7.736,1052 4.045,1053 4.29,1054 4.934,1055 0.57,1056 7.837,1057 4.192,1058 7.758,1059 1.552,1060 9.382,1061 4.043,1062 6.399,1063 7.325,1064 1.689,1065 10.947,1066 6.274,1067 9.08,1068 1.545,1069 11.096,1070 3.774,1071 6.735,1072 7.895,1073 0.674,1074 12.681,1075 6.585,1076 10.443,1077 1.459,1078 12.855,1079 3.615,1080 8.24,1081 9.729,1082 1.417,1083 15.321,1084 8.072,1085 11.835,1086 1.438,1087 14.645,1088 3.127,1089 9.002,1090 10.709,1091 0.66,1092 17.404,1093 8.819,1094 13.249,1095 1.376,1096 16.456,1097 3.028,1098 10.275,1099 12.316,1100 1.203,1101 19.896,1102 10.079,1103 3.271,1104 1.281,1105 18.283,1106 3,1107 11.242,1108 13.497,1109 0.611,1110 22.142,1111 11.037,1112 2.875,1113 11.366,1114 20.122,1115 2.682,1116 12.427,1117 15,1118 1.023,1119 24.584,1120 12.214,1121 2.875,1122 9.118,1123 21.972,1124 4.188,1125 13.493,1126 16.284,1127 0.55,1128 26.913,1129 13.273,1130 2.447,1131 9.118,1132 23.831,1133 3.805,1134 14.65,1135 17.737,1136 0.869,1137 29.339,1138 14.424,1139 2.38,1140 8.207,1141 25.696,1142 3.805,1143 15.763,1144 19.076,1145 0.487,1146 31.713,1147 15.532,1148 2.38,1149 7.292,1150 27.569,1151 3.126,1152 16.916,1153 20.505,1154 0.735,1155 34.136,1156 16.679,1157 2.303,1158 6.713,1159 29.447,1160 2.97,1161 18.054,1162 21.875,1163 0.427,1164 36.534,1165 17.813,1166 52720,1167 76580,1168 32.591,1169 67.16,1170 70.956,1171 72.816,1172 75.093,1173 70.567,1174 70.572,1175 84.688,1176 9.795,1177 189.373,1178 68.069,1179 5.618,1180 5.751,1181 6.768,1182 5.293,1183 5.271,1184 7.188,1185 1.776,1186 19.366,1187 5.237,1188 28.977,1189 1.419,1190 1.456,1191 1.502,1192 1.411,1193 1.411,1194 1.694,1195 0.196,1196 3.787,1197 1.361,1198 4.007,1199 4.044,1200 3.949,1201 3.903,1202 7.427,1203 3.908,1204 3.932,1205 3.957,1206 3.88,1207 3.845,1208 6.467,1209 3.847,1210 3.925,1211 3.956,1212 3.861,1213 3.839,1214 4.878,1215 3.844,1216 3.758,1217 3.823,1218 3.611,1219 3.623,1220 4.847,1221 3.61,1222 3.75,1223 3.807,1224 3.608,1225 3.622,1226 4.614,1227 3.608,1228 3.612,1229 3.689,1230 3.469,1231 3.427,1232 4.394,1233 3.425,1234 3.58,1235 3.656,1236 3.42,1237 3.406,1238 4.392,1239 3.399,1240 3.417,1241 3.499,1242 3.257,1243 3.252,1244 4.359,1245 3.242,1246 0.093,1247 0.075,1248 0.138,1249 0.085,1250 0.065,1251 4.651,1252 0.084,1253 3.751,1254 0.018,1255 6.906,1256 0.227,1257 4.26,1258 0.065,1259 3.271,1260 4.188,1261 0.916,1262 11.366,1263 3.237,1264 1.914,1265 1.887,1266 2.055,1267 2.041,1268 1.382,1269 2.045,1270 1.913,1271 1.887,1272 2.051,1273 2.031,1274 1.378,1275 2.039,1276 1.898,1277 1.877,1278 2.015,1279 2.023,1280 1.219,1281 2.019,1282 1.77,1283 1.707,1284 1.996,1285 1.932,1286 1.211,1287 1.957,1288 1.751,1289 1.691,1290 1.95,1291 1.908,1292 1.129,1293 1.928,1294 1.597,1295 1.521,1296 1.858,1297 1.811,1298 1.066,1299 1.83,1300 1.577,1301 1.502,1302 1.846,1303 1.783,1304 1.044,1305 1.808,1306 1.423,1307 1.346,1308 1.724,1309 1.638,1310 0.953,1311 1.671,1312 4.615,1314 5.878,1316 7.34,1318 8.904,1320 10.528,1322 11.435,1327 10.969,1328 15.748,1329 3.345,1330 11.029,1333 4.9,1340 61.695,1341 146.237,1342 345.725,1343 507.024,1344 568.734,1345 595.489,1346 606.999,1347 154.029,1348 8.013,1349 86.63,1350 86.63,1351 18,1352 12.751,1353 4.087,1354 3.459,1355 118.749,1356 392,1357 326,1358 0.139,1359 386.172,1360 694.44,1361 934.02,1362 48194,1364 34.727,1365 0.723,1366 0.634,1367 34.727,1368 30.446,1369 23.336,1370 0.467,1371 0.359,1372 17.755,1373 22.545,1374 17.114,1375 14.42,1376 23.336,1377 17.969,1378 18.9,1379 0.295,1380 0.198,1381 18.9,1382 12.649,1383 16.268,1384 0.198,1385 0.113,1386 16.268,1387 9.301,1388 12.354,1389 0.129,1390 0.065,1391 12.354,1392 6.211,1393 9.298,1394 0.085,1395 0.038,1396 9.298,1397 4.181,1398 0.236,1399 145.537,1400 0.175,1401 43.681,1402 0.341,1403 228,1404 582.624,1405 245.569,1406 558.07,1407 758.03,1408 526,1409 260,1410 539.786,1411 279.734,1412 552.547,1413 800.7,1414 516,1415 8.022}
{0 CHEMBL243270,1 1.464,2 16.526,3 3.45,4 11.9,5 155.899,6 6.676,7 0.3,8 4.415,9 4.544,10 3.873,11 3.889,12 5.47,13 3.856,14 4.96,15 5.167,16 4.156,17 4.234,18 5.927,19 4.18,20 5.174,21 5.393,22 4.284,23 4.403,24 6.16,25 4.324,26 5.316,27 5.546,28 4.242,29 4.48,30 6.235,31 4.358,32 5.428,33 5.698,34 4.212,35 4.514,36 6.317,37 4.367,38 5.419,39 5.687,40 4.169,41 4.474,42 6.295,43 4.337,44 5.322,45 5.569,46 4.12,47 4.437,48 6.232,49 4.294,50 5.321,51 5.598,52 4.044,53 4.376,54 6.232,55 4.222,56 0.055,57 1.086,58 18.131,59 7.203,60 14.139,61 10.079,62 0.339,63 1.681,64 33.011,65 10.621,66 34.569,67 15.77,68 0.496,69 2.018,70 40.978,71 13.796,72 54.373,73 20.211,74 0.615,75 2.204,76 47.44,77 16.392,78 62.235,79 23.961,80 0.606,81 2.382,82 53.389,83 17.838,84 89.314,85 26.862,86 0.776,87 2.293,88 53.751,89 16.884,90 84.517,91 25.337,92 0.706,93 2.136,94 48.151,95 16.34,96 69.56,97 23.952,98 0.519,99 2.048,100 48.154,101 16.488,102 75.072,103 24.209,104 53,105 52,106 0.225,107 0.535,108 0.715,109 0.792,110 0.808,111 0.832,112 3.667,113 0.984,114 -2.92,115 -2.93,116 -2.83,121 38.5,122 2,126 2,127 8,137 2,140 2,144 8,145 2,146 2,158 2,176 8,180 10,185 2,187 8,191 2,192 8,195 1,196 1,197 2,200 5,205 2,206 6,209 2,214 2,219 6,222 2,224 2,227 2,231 1,232 5,235 1,237 1,239 4,243 2,244 2,247 2,249 2,251 6,255 1,256 3,259 1,261 3,264 6,269 5,274 3,277 6,281 3032,282 26.032,283 26.032,284 26.032,285 26.032,286 26.032,287 23.749,288 36.782,289 15.592,290 26.793,291 19.474,292 19.474,293 19.474,294 19.474,295 19.474,296 15.934,297 50.296,298 7.028,299 20.421,300 4.822,301 2.813,302 1.644,303 1.141,304 1.039,305 0.885,306 4.35,312 1,313 1306,314 4.69,318 477.71,325 2.97,326 34.253,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 82,338 628,339 4.381,340 3.581,341 6.25,342 3.975,343 2.989,344 3.846,345 0.916,346 9.366,347 2.947,348 4.206,349 3.189,350 6.159,351 3.84,352 2.876,353 3.805,354 0.916,355 9.118,356 2.772,357 4.206,358 3.188,359 6.159,360 3.839,361 2.875,362 3.805,363 0.86,364 9.118,365 2.772,366 3.775,367 2.894,368 5.741,369 3.407,370 2.45,371 3.016,372 0.86,373 7.586,374 2.346,375 3.427,376 2.738,377 5.284,378 3.293,379 2.373,380 2.471,381 0.6,382 6.712,383 2.181,384 3.422,385 2.724,386 5.283,387 3.27,388 2.336,389 2.465,390 0.4,391 6.706,392 2.168,393 3.253,394 2.408,395 4.557,396 2.716,397 1.732,398 2.366,399 0.172,400 4.71,401 1.693,402 2.917,403 1.969,404 4.316,405 2.505,406 1.559,407 2.088,408 0.172,409 4.035,410 1.47,411 2.917,412 1.945,413 4.313,414 2.49,415 1.544,416 2.087,418 4.02,419 1.453,420 2.843,421 1.799,422 3.803,423 2.442,424 1.457,425 1.951,427 3.12,428 1.432,429 2.831,430 1.516,431 3.623,432 2.428,433 1.433,434 1.94,436 3.029,437 1.425,438 2.639,439 1.508,440 3.619,441 2.282,442 1.332,443 1.548,445 2.981,446 1.258,447 2.189,448 1.237,449 3.41,450 2.04,451 1.077,452 1.139,454 2.348,455 1.035,456 1.923,457 1.128,458 3.09,459 1.589,460 0.618,461 0.726,463 1.359,464 0.593,465 1.737,466 0.94,467 2.889,468 1.475,469 0.555,470 0.638,472 0.942,473 0.504,474 17.933,475 0.472,476 0.691,477 0.018,478 43,479 1.132,480 19,481 0.5,482 24,483 0.632,484 38.443,485 1.012,486 43.267,487 0.555,488 37.207,489 0.979,490 9.166,491 0.241,492 9.316,493 0.245,494 0.149,496 0.268,501 0.886,502 1.512,503 0.914,504 1.278,505 0.767,506 1.124,507 1.238,508 1.08,509 0.992,510 0.921,511 0.723,512 0.903,513 0.973,514 1.064,515 0.996,516 1.041,517 0.813,518 1.014,519 0.946,520 1.206,521 1.089,522 1.175,523 0.888,524 1.162,525 0.791,526 1.072,527 0.968,528 1.045,529 0.865,530 1.03,531 1.171,532 0.928,533 1.057,534 0.908,535 1.206,536 0.956,537 1.01,538 1.07,539 1.123,540 1.094,541 1.05,542 1.126,543 0.897,544 0.933,545 0.943,546 0.991,547 1.314,548 0.978,549 7,550 0.297,551 4,552 2.25,553 2.089,554 1.042,555 0.73,556 0.479,557 0.468,558 0.331,559 25442,560 61232,561 1.995,562 51.3,564 32,567 2,569 6,572 1.782,573 1.869,574 3.971,575 0.123,582 114.178,583 1.464,584 3.472,585 4.641,586 5.144,587 5.247,588 5.401,589 3.366,590 3.892,591 5.22,592 4.234,593 2976.61,594 9.164,595 54812,600 490.261,601 1.384,602 5.178,603 0.175,604 0.007,605 0.077,606 0.039,607 0.04,608 0.021,609 0.015,610 0.011,611 0.011,612 0.008,613 0.404,614 0.33,615 0.75,616 0.9,617 217.837,618 -0.027,619 -0.237,620 0.047,621 -0.104,622 -0.047,623 -0.032,624 -0.151,625 0.075,626 0.016,627 0.094,629 0.087,630 0.025,631 0.052,632 -0.002,633 -0.026,634 0.086,635 -0.017,636 0.04,637 -0.165,638 -0.106,639 -0.154,640 -0.004,641 -0.157,642 0.04,643 -0.085,644 0.002,645 -0.066,646 0.054,647 -0.041,648 -0.087,649 0.046,650 -0.053,651 0.041,652 -0.118,653 0.004,654 0.002,655 -0.068,656 -0.136,657 -0.096,658 -0.074,659 -0.136,661 0.009,662 0.032,663 -0.015,664 -0.055,665 0.009,666 1.876,667 5.678,668 0.474,669 54.726,670 0.995,671 1.132,672 1.69,673 2.855,674 0.635,675 3.714,676 3.97,677 4.205,678 4.369,679 4.533,680 4.466,681 4.443,682 4.443,683 4.511,684 4.615,685 10.036,686 0.595,687 520.74,688 3.714,689 5.22,690 6.043,691 6.884,692 7.722,693 8.567,694 9.408,695 10.253,696 11.097,697 11.942,698 5.1,700 1,701 2,707 1,715 8,720 4,722 12,739 2,741 78,743 16,744 2,745 40,747 80,748 30,749 12,750 4,751 8,752 6,756 3,757 3,763 2,772 18,773 12,777 4,782 1,784 2,785 1,786 4,793 40,794 8,795 2,796 8,802 4,808 1,809 4,829 3,839 1,841 1,849 4,853 1,855 2,857 1,859 3,864 4,868 38,875 1,876 8,877 1,878 2,881 2,893 5.1,895 1,896 1,898 2,901 20.333,902 14.883,903 8.944,904 4.779,907 3.037,908 1.398,909 0.925,910 12.032,911 10.677,912 3.932,913 4.419,914 4.916,915 5.336,916 5.764,917 5.718,918 5.785,919 5.875,920 6.034,921 6.258,922 0.909,923 57,924 14.085,926 5.677,927 0.026,929 7.68,931 27.108,933 21.117,936 2.18,937 82.833,941 447.302,942 178.53,943 41.045,945 89.828,948 178.53,949 537.13,950 41.045,951 39.417,952 16.846,953 112.773,954 78.475,955 61.892,957 447.302,959 447.302,960 219.575,961 89.828,964 376.675,965 160.455,968 75.541,969 122.324,970 21.709,972 447.302,973 130.873,974 178.53,977 447.302,978 44.351,979 140.428,980 18.011,981 106.614,982 447.302,983 130.873,984 178.53,986 0.559,987 0.34,988 0.179,989 0.094,990 19,991 10,992 0.188,993 15,995 1,996 4.884,997 332.222,999 18,1000 197.421,1005 29.593,1006 15.451,1007 8.801,1009 130.873,1010 15.945,1015 3.962,1017 60.694,1018 756.704,1019 50,1024 12.678,1026 2.88,1027 4.471,1028 0.512,1031 77.621,1032 88.304,1034 0.233,1035 0.552,1036 0.738,1037 0.818,1038 0.835,1039 0.859,1040 5.147,1041 1.559,1042 5.994,1043 4.71,1044 4.654,1045 5.106,1046 2.08,1047 6.744,1048 4.57,1049 6.311,1050 1.544,1051 7.52,1052 4.035,1053 4.111,1054 4.745,1055 0.57,1056 7.554,1057 3.992,1058 7.59,1059 1.457,1060 9.146,1061 4.02,1062 6.192,1063 7.168,1064 1.689,1065 10.596,1066 6.038,1067 8.904,1068 1.433,1069 10.831,1070 3.12,1071 6.494,1072 7.642,1073 0.674,1074 12.211,1075 6.307,1076 10.251,1077 1.332,1078 12.552,1079 3.029,1080 7.993,1081 9.521,1082 1.417,1083 14.746,1084 7.783,1085 11.62,1086 1.077,1087 14.298,1088 2.981,1089 8.689,1090 10.396,1091 0.66,1092 16.689,1093 8.45,1094 13.006,1095 0.618,1096 16.06,1097 2.348,1098 9.944,1099 12.029,1100 1.203,1101 19.039,1102 9.687,1103 2.989,1104 0.555,1105 17.835,1106 1.359,1107 10.831,1108 13.112,1109 0.611,1110 21.127,1111 10.549,1112 2.876,1113 9.366,1114 19.618,1115 0.942,1116 11.979,1117 14.617,1118 1.023,1119 23.402,1120 11.68,1121 2.875,1122 9.118,1123 21.407,1124 3.846,1125 12.959,1126 15.812,1127 0.55,1128 25.558,1129 12.637,1130 2.45,1131 9.118,1132 23.202,1133 3.805,1134 14.06,1135 17.248,1136 0.869,1137 27.801,1138 13.722,1139 2.373,1140 7.586,1141 25.001,1142 3.805,1143 15.087,1144 18.503,1145 0.487,1146 29.99,1147 14.728,1148 2.336,1149 6.712,1150 26.803,1151 3.016,1152 16.169,1153 19.9,1154 0.735,1155 32.22,1156 15.794,1157 1.732,1158 6.706,1159 28.608,1160 2.471,1161 17.218,1162 21.191,1163 0.427,1164 34.424,1165 16.824,1166 24894,1167 38792,1168 26.235,1169 49.546,1170 57.386,1171 58.457,1172 59.67,1173 56.772,1174 56.789,1175 70.401,1176 9.795,1177 154.033,1178 54.288,1179 5.317,1180 5.581,1181 5.945,1182 5.023,1183 4.989,1184 6.846,1185 1.776,1186 16.053,1187 4.947,1188 21.303,1189 1.435,1190 1.461,1191 1.492,1192 1.419,1193 1.42,1194 1.76,1195 0.245,1196 3.851,1197 1.357,1198 3.986,1199 4.022,1200 3.922,1201 3.886,1202 7.428,1203 3.888,1204 3.923,1205 3.954,1206 3.86,1207 3.844,1208 6.469,1209 3.844,1210 3.891,1211 3.914,1212 3.848,1213 3.783,1214 4.877,1215 3.797,1216 3.676,1217 3.75,1218 3.548,1219 3.482,1220 4.847,1221 3.487,1222 3.638,1223 3.706,1224 3.506,1225 3.455,1226 4.618,1227 3.456,1228 3.404,1229 3.492,1230 3.254,1231 3.204,1232 4.398,1233 3.2,1234 3.298,1235 3.386,1236 3.081,1237 3.114,1238 4.391,1239 3.092,1240 3.25,1241 3.316,1242 3.064,1243 2.988,1244 4.359,1245 2.988,1246 0.11,1247 0.09,1248 0.156,1249 0.099,1250 0.075,1251 4.381,1252 0.096,1253 3.581,1254 0.023,1255 6.25,1256 0.234,1257 3.975,1258 0.074,1259 2.989,1260 3.846,1261 0.916,1262 9.366,1263 2.947,1264 1.913,1265 1.887,1266 2.037,1267 2.039,1268 1.248,1269 2.038,1270 1.911,1271 1.886,1272 2.034,1273 2.026,1274 1.242,1275 2.03,1276 1.842,1277 1.82,1278 1.939,1279 1.979,1280 1.083,1281 1.968,1282 1.647,1283 1.572,1284 1.884,1285 1.86,1286 1.061,1287 1.871,1288 1.612,1289 1.54,1290 1.844,1291 1.818,1292 0.975,1293 1.83,1294 1.396,1295 1.31,1296 1.707,1297 1.634,1298 0.905,1299 1.662,1300 1.32,1301 1.234,1302 1.643,1303 1.545,1304 0.84,1305 1.584,1306 1.198,1307 1.126,1308 1.574,1309 1.513,1310 0.62,1311 1.533,1312 4.394,1314 5.666,1316 7.136,1318 8.697,1320 10.303,1322 7.552,1327 10.533,1328 5.672,1329 3.197,1330 10.916,1333 4.514,1340 46.427,1341 114.178,1342 270.827,1343 362.023,1344 401.242,1345 409.242,1346 421.242,1347 94.258,1348 7.64,1349 86.63,1350 86.63,1351 18,1352 12.504,1353 4.087,1354 3.459,1355 80.962,1356 235,1357 184,1358 0.165,1359 290.249,1360 521.44,1361 699.967,1362 26262,1364 27.33,1365 0.719,1366 0.604,1367 27.33,1368 22.944,1369 18.481,1370 0.462,1371 0.328,1372 12.91,1373 17.68,1374 12.482,1375 10.455,1376 18.481,1377 13.124,1378 15.254,1379 0.293,1380 0.173,1381 15.254,1382 9.007,1383 12.942,1384 0.196,1385 0.1,1386 12.942,1387 6.587,1388 10.045,1389 0.129,1390 0.056,1391 10.045,1392 4.33,1393 7.876,1394 0.086,1395 0.031,1396 7.876,1397 2.808,1398 0.272,1399 116.407,1400 0.195,1401 35.563,1402 0.418,1403 184,1404 534.624,1405 201.569,1406 507.921,1407 684.69,1408 478,1409 210,1410 483.786,1411 228.792,1412 493.038,1413 711.91,1414 460,1415 7.211}
{0 CHEMBL243271,1 1.437,2 18.1,3 3.575,4 12.777,5 165.63,6 6.533,7 0.286,8 4.483,9 4.614,10 3.92,11 3.958,12 5.514,13 3.918,14 5.037,15 5.247,16 4.197,17 4.309,18 5.975,19 4.243,20 5.264,21 5.493,22 4.32,23 4.473,24 6.208,25 4.383,26 5.398,27 5.641,28 4.278,29 4.548,30 6.289,31 4.418,32 5.483,33 5.748,34 4.248,35 4.6,36 6.335,37 4.44,38 5.525,39 5.803,40 4.184,41 4.563,42 6.352,43 4.405,44 5.43,45 5.699,46 4.092,47 4.48,48 6.28,49 4.318,50 5.346,51 5.63,52 4.05,53 4.397,54 6.186,55 4.232,56 0.069,57 1.163,58 19.859,59 7.871,60 14.676,61 11.112,62 0.351,63 1.806,64 35.875,65 11.743,66 35.733,67 17.54,68 0.479,69 2.174,70 45.053,71 15.024,72 56.199,73 22.47,74 0.753,75 2.368,76 51.86,77 17.731,78 67.465,79 26.029,80 0.557,81 2.512,82 55.708,83 20.032,84 81.021,85 29.562,86 0.696,87 2.51,88 59.185,89 19.125,90 83.504,91 28.768,92 0.736,93 2.298,94 53.865,95 17.521,96 79.829,97 26.245,98 0.668,99 2.111,100 49.183,101 16.483,102 66.784,103 24.887,104 53,105 54,106 0.218,107 0.525,108 0.721,109 0.792,110 0.81,111 0.817,112 3.717,113 1.009,114 -3.3,115 -3.28,116 -3.15,121 38.1,122 2,123 2,126 2,127 8,137 2,140 2,144 8,145 2,146 2,158 2,176 8,180 13,185 3,187 8,191 1,192 8,196 1,197 2,200 5,205 3,206 6,209 3,214 8,219 3,222 2,224 1,227 6,232 9,237 3,239 8,243 1,244 4,247 1,249 2,251 4,255 2,256 2,259 2,261 2,264 4,268 1,269 3,272 1,274 3,277 7,281 3644,282 27.447,283 27.447,284 27.447,285 27.447,286 27.447,287 25.163,288 40.87,289 16.592,290 28.204,291 20.474,292 20.474,293 20.474,294 20.474,295 20.474,296 16.934,297 57.552,298 7.522,299 21.421,300 4.955,301 2.938,302 1.646,303 1.179,304 1.06,305 1.012,306 4.401,312 1,313 1504,314 4.899,318 514.383,325 3.29,326 34.868,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 86,338 724,339 4.381,340 3.581,341 6.25,342 3.974,343 2.988,344 3.846,345 0.916,346 9.366,347 2.947,348 4.206,349 3.188,350 6.159,351 3.84,352 2.876,353 3.805,354 0.916,355 9.118,356 2.773,357 4.206,358 3.188,359 6.159,360 3.84,361 2.875,362 3.805,363 0.86,364 9.118,365 2.772,366 3.773,367 2.89,368 5.741,369 3.398,370 2.433,371 3.015,372 0.86,373 7.583,374 2.342,375 3.429,376 2.731,377 5.284,378 3.3,379 2.378,380 2.468,381 0.6,382 6.713,383 2.191,384 3.428,385 2.728,386 5.284,387 3.292,388 2.364,389 2.467,390 0.4,391 6.712,392 2.186,393 3.262,394 2.429,395 4.558,396 2.74,397 1.757,398 2.379,399 0.172,400 4.717,401 1.717,402 2.917,403 1.97,404 4.316,405 2.568,406 1.609,407 2.088,408 0.172,409 4.039,410 1.539,411 2.917,412 1.952,413 4.315,414 2.503,415 1.552,416 2.087,418 4.031,419 1.472,420 2.85,421 1.861,422 3.856,423 2.468,424 1.514,425 1.955,427 3.351,428 1.439,429 2.838,430 1.534,431 3.631,432 2.442,433 1.45,434 1.948,436 3.051,437 1.433,438 2.712,439 1.514,440 3.621,441 2.395,442 1.41,443 1.667,445 3.015,446 1.383,447 2.434,448 1.432,449 3.569,450 2.297,451 1.317,452 1.41,454 2.867,455 1.287,456 2.193,457 1.301,458 3.304,459 1.819,460 0.857,461 1.014,463 1.956,464 0.817,465 1.74,466 0.94,467 2.951,468 1.5,469 0.558,470 0.639,472 1.021,473 0.519,474 18.933,475 0.473,476 0.691,477 0.017,478 44,479 1.1,480 19,481 0.475,482 25,483 0.625,484 42.392,485 1.06,486 45.867,487 0.546,488 37.524,489 0.938,490 9.177,491 0.229,492 10.305,493 0.258,494 0.141,496 0.254,501 0.884,502 1.512,503 0.939,504 1.291,505 0.763,506 1.145,507 1.219,508 1.107,509 1.014,510 0.964,511 0.713,512 0.945,513 0.976,514 1.133,515 0.984,516 1.052,517 0.794,518 1.013,519 0.972,520 1.036,521 1.093,522 1.078,523 0.89,524 1.099,525 0.706,526 1.119,527 0.975,528 1.125,529 0.828,530 1.095,531 1.156,532 0.969,533 1.06,534 0.959,535 1.186,536 0.989,537 1.153,538 1.024,539 1.121,540 1.014,541 1.21,542 1.059,543 0.762,544 0.965,545 0.93,546 0.964,547 0.959,548 0.971,549 7,550 0.273,551 4,552 2.25,553 2.249,554 0.931,555 0.73,556 0.448,557 0.329,558 0.374,559 30732,560 71606,561 1.995,562 52.4,564 32,567 2,569 6,570 4,572 1.793,573 1.875,574 4.091,575 0.099,582 120.74,583 1.437,584 3.454,585 4.747,586 5.214,587 5.333,588 5.38,589 3.484,590 4.084,591 5.294,592 4.367,593 3406.4,594 9.303,595 67189.4,600 536.955,601 1.353,602 5.255,603 0.167,604 0.006,605 0.074,606 0.038,607 0.042,608 0.018,609 0.015,610 0.01,611 0.008,612 0.009,613 0.387,614 0.33,615 0.75,616 0.876,617 234.794,618 -0.019,619 -0.224,620 0.046,621 -0.098,622 -0.034,623 -0.031,624 -0.136,625 0.051,626 0.004,627 0.064,628 0.011,629 0.06,630 0.009,631 -0.03,632 0.015,633 -0.035,634 0.094,635 -0.01,636 0.047,637 0.01,638 -0.097,639 -0.073,640 -0.002,641 -0.104,642 0.066,643 -0.131,644 -0.018,645 -0.11,646 0.068,647 -0.082,648 -0.12,649 -0.008,650 -0.066,651 -0.004,652 -0.126,653 -0.023,654 -0.083,655 -0.052,656 -0.123,657 -0.05,658 -0.133,659 -0.09,660 0.104,661 -0.007,662 0.042,663 0.001,665 0.009,666 1.854,667 5.65,668 0.45,669 63.1,670 0.993,671 1.133,672 2.068,673 4.275,674 0.632,675 3.761,676 4.007,677 4.234,678 4.394,679 4.554,680 4.466,681 4.419,682 4.419,683 4.443,684 4.511,685 10.975,686 0.589,687 548.8,688 3.761,689 5.263,690 6.08,691 6.917,692 7.75,693 8.59,694 9.427,695 10.269,696 11.108,697 11.95,698 4.8,700 1,701 2,707 1,715 8,720 4,722 12,739 2,741 84,743 16,744 2,745 42,747 86,748 32,749 12,750 4,751 8,752 6,756 3,757 3,763 2,770 2,772 18,773 14,777 4,782 1,784 2,785 1,786 4,793 44,794 8,795 2,796 8,802 4,808 1,809 4,829 3,839 1,841 1,849 4,853 1,855 2,857 1,859 3,864 4,868 40,875 1,876 10,877 1,878 2,881 2,893 4.8,895 1,896 1,898 2,901 21.333,902 15.883,903 9.444,904 5.279,907 2.99,908 1.387,909 0.923,910 13.403,911 10.706,912 3.97,913 4.443,914 4.931,915 5.346,916 5.767,917 5.708,918 5.748,919 5.806,920 5.883,921 6.016,922 0.917,923 59,924 14.84,926 5.959,927 0.026,929 7.646,931 28.741,933 22.45,936 2.146,937 85.833,941 494.386,942 183.599,943 41.045,945 89.828,948 183.599,949 584.214,950 41.045,951 39.417,952 21.915,953 112.773,954 78.475,955 61.892,957 494.386,959 494.386,960 224.644,961 89.828,964 376.675,965 207.539,968 80.61,969 122.324,970 21.709,972 494.386,973 130.873,974 183.599,977 494.386,978 49.42,979 140.428,980 18.011,981 106.614,982 494.386,983 130.873,984 183.599,986 0.556,987 0.336,988 0.178,989 0.094,990 19,991 10,992 0.198,993 17,995 1,996 5.119,997 349.128,999 18,1000 210.877,1005 31.565,1006 16.985,1007 9.879,1009 130.873,1010 16.109,1015 4.096,1017 60.694,1018 808.858,1019 52,1024 12.65,1026 2.914,1027 4.471,1028 0.606,1031 83.388,1032 95.135,1034 0.225,1035 0.54,1036 0.743,1037 0.816,1038 0.834,1039 0.842,1040 5.182,1041 1.609,1042 6.023,1043 4.717,1044 4.691,1045 5.13,1046 2.08,1047 6.763,1048 4.61,1049 6.336,1050 1.552,1051 7.542,1052 4.039,1053 4.111,1054 4.745,1055 0.57,1056 7.554,1057 3.992,1058 7.609,1059 1.514,1060 9.161,1061 4.031,1062 6.217,1063 7.177,1064 1.689,1065 10.6,1066 6.066,1067 8.917,1068 1.45,1069 10.841,1070 3.351,1071 6.494,1072 7.642,1073 0.674,1074 12.211,1075 6.307,1076 10.26,1077 1.41,1078 12.559,1079 3.051,1080 8.007,1081 9.524,1082 1.417,1083 14.747,1084 7.8,1085 11.627,1086 1.317,1087 14.302,1088 3.015,1089 8.689,1090 10.396,1091 0.66,1092 16.689,1093 8.45,1094 13.011,1095 0.857,1096 16.063,1097 2.867,1098 9.951,1099 12.029,1100 1.203,1101 19.039,1102 9.696,1103 2.988,1104 0.558,1105 17.836,1106 1.956,1107 10.831,1108 13.112,1109 0.611,1110 21.127,1111 10.55,1112 2.876,1113 9.366,1114 19.619,1115 1.021,1116 11.982,1117 14.618,1118 1.023,1119 23.402,1120 11.685,1121 2.875,1122 9.118,1123 21.408,1124 3.846,1125 12.959,1126 15.812,1127 0.55,1128 25.558,1129 12.638,1130 2.433,1131 9.118,1132 23.203,1133 3.805,1134 14.061,1135 17.248,1136 0.869,1137 27.801,1138 13.725,1139 2.378,1140 7.583,1141 25.001,1142 3.805,1143 15.086,1144 18.503,1145 0.487,1146 29.989,1147 14.729,1148 2.364,1149 6.713,1150 26.803,1151 3.015,1152 16.169,1153 19.9,1154 0.735,1155 32.22,1156 15.795,1157 1.757,1158 6.712,1159 28.608,1160 2.468,1161 17.217,1162 21.191,1163 0.427,1164 34.424,1165 16.824,1166 30026,1167 46014,1168 27.622,1169 53.069,1170 59.896,1171 61.229,1172 62.303,1173 59.422,1174 59.46,1175 73.086,1176 9.795,1177 159.435,1178 56.951,1179 5.328,1180 5.581,1181 5.946,1182 5.017,1183 4.988,1184 6.846,1185 1.776,1186 16.052,1187 4.947,1188 22.246,1189 1.426,1190 1.458,1191 1.483,1192 1.415,1193 1.416,1194 1.74,1195 0.233,1196 3.796,1197 1.356,1198 3.986,1199 4.024,1200 3.92,1201 3.887,1202 7.428,1203 3.889,1204 3.924,1205 3.955,1206 3.861,1207 3.844,1208 6.469,1209 3.844,1210 3.898,1211 3.922,1212 3.854,1213 3.788,1214 4.877,1215 3.802,1216 3.704,1217 3.774,1218 3.57,1219 3.529,1220 4.847,1221 3.528,1222 3.673,1223 3.737,1224 3.541,1225 3.506,1226 4.617,1227 3.503,1228 3.482,1229 3.567,1230 3.332,1231 3.289,1232 4.395,1233 3.283,1234 3.406,1235 3.487,1236 3.211,1237 3.237,1238 4.392,1239 3.218,1240 3.25,1241 3.316,1242 3.064,1243 2.999,1244 4.355,1245 2.991,1246 0.104,1247 0.085,1248 0.149,1249 0.095,1250 0.071,1251 4.381,1252 0.092,1253 3.581,1254 0.022,1255 6.25,1256 0.223,1257 3.974,1258 0.07,1259 2.988,1260 3.846,1261 0.916,1262 9.366,1263 2.947,1264 1.913,1265 1.887,1266 2.04,1267 2.037,1268 1.288,1269 2.04,1270 1.912,1271 1.886,1272 2.038,1273 2.028,1274 1.281,1275 2.033,1276 1.848,1277 1.824,1278 1.96,1279 1.988,1280 1.135,1281 1.979,1282 1.688,1283 1.617,1284 1.918,1285 1.883,1286 1.122,1287 1.898,1288 1.651,1289 1.584,1290 1.861,1291 1.844,1292 0.994,1293 1.855,1294 1.476,1295 1.393,1296 1.78,1297 1.703,1298 0.97,1299 1.731,1300 1.427,1301 1.347,1302 1.733,1303 1.634,1304 0.912,1305 1.672,1306 1.199,1307 1.127,1308 1.574,1309 1.514,1310 0.658,1311 1.534,1312 4.443,1314 5.707,1316 7.168,1318 8.72,1320 10.32,1322 7.655,1327 10.514,1328 7.998,1329 3.209,1330 10.943,1333 4.669,1340 49.481,1341 120.74,1342 290.126,1343 398.716,1344 437.935,1345 447.935,1346 451.935,1347 103.722,1348 7.716,1349 86.63,1350 86.63,1351 18,1352 12.514,1353 4.087,1354 3.459,1355 88.084,1356 270,1357 210,1358 0.154,1359 309.433,1360 556.04,1361 746.777,1362 30414,1364 28.744,1365 0.719,1366 0.609,1367 28.744,1368 24.358,1369 19.481,1370 0.464,1371 0.336,1372 13.91,1373 18.678,1374 13.462,1375 11.286,1376 19.481,1377 14.124,1378 15.961,1379 0.296,1380 0.18,1381 15.961,1382 9.714,1383 13.442,1384 0.198,1385 0.103,1386 13.442,1387 7.026,1388 10.386,1389 0.13,1390 0.059,1391 10.386,1392 4.689,1393 8.186,1394 0.087,1395 0.033,1396 8.186,1397 3.122,1398 0.257,1399 122.407,1400 0.19,1401 37.37,1402 0.385,1403 192,1404 542.624,1405 209.569,1406 516.244,1407 696.21,1408 486,1409 218,1410 491.786,1411 236.737,1412 501.355,1413 723.28,1414 468,1415 8.648}
{0 CHEMBL243272,1 1.413,2 19.667,3 4.735,4 22.415,5 174.917,6 6.41,7 0.273,8 4.546,9 4.68,10 3.965,11 4.024,12 5.555,13 3.977,14 5.107,15 5.321,16 4.237,17 4.378,18 6.021,19 4.302,20 5.346,21 5.585,22 4.355,23 4.542,24 6.256,25 4.439,26 5.47,27 5.72,28 4.314,29 4.609,30 6.331,31 4.472,32 5.553,33 5.825,34 4.284,35 4.661,36 6.384,37 4.495,38 5.575,39 5.847,40 4.222,41 4.646,42 6.37,43 4.475,44 5.535,45 5.813,46 4.109,47 4.569,48 6.338,49 4.387,50 5.452,51 5.753,52 4.02,53 4.442,54 6.236,55 4.257,56 0.083,57 1.24,58 21.561,59 8.541,60 15.046,61 12.137,62 0.364,63 1.931,64 38.694,65 12.865,66 36.525,67 19.287,68 0.51,69 2.331,70 49.023,71 16.488,72 58.131,73 24.784,74 0.727,75 2.523,76 55.625,77 18.908,78 67.294,79 28.173,80 0.686,81 2.674,82 59.749,83 21.342,84 84.401,85 31.5,86 0.637,87 2.64,88 61.362,89 21.319,90 73.908,91 31.446,92 0.656,93 2.515,94 59.176,95 19.751,96 77.843,97 29.613,98 0.687,99 2.271,100 54.433,101 17.601,102 75.68,103 27.014,104 53,105 56,106 0.212,107 0.508,108 0.708,109 0.782,110 0.808,111 0.818,112 3.764,113 1.031,114 -3.67,115 -3.63,116 -3.46,121 37.8,122 2,123 4,126 2,127 8,137 2,140 2,144 8,145 2,146 2,158 2,176 10,180 13,185 3,187 8,191 1,192 11,196 1,197 3,200 5,205 2,206 6,209 2,214 8,218 1,219 3,222 3,224 1,227 12,232 6,237 2,239 12,244 8,249 4,251 8,255 1,256 4,259 1,261 2,264 2,268 2,269 2,272 2,274 2,277 5,281 4336,282 28.861,283 28.861,284 28.861,285 28.861,286 28.861,287 26.577,288 40.87,289 17.592,290 29.619,291 21.474,292 21.474,293 21.474,294 21.474,295 21.474,296 17.934,297 52.552,298 8.022,299 22.421,300 5.078,301 3.099,302 1.767,303 1.273,304 1.1,305 1.034,306 4.449,312 1,313 1714,314 5.099,318 550.75,325 3.619,326 35.332,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 90,338 826,339 4.381,340 3.581,341 6.25,342 3.974,343 2.988,344 3.846,345 0.916,346 9.366,347 2.947,348 4.206,349 3.188,350 6.159,351 3.84,352 2.875,353 3.805,354 0.916,355 9.118,356 2.773,357 4.206,358 3.188,359 6.159,360 3.84,361 2.875,362 3.805,363 0.86,364 9.118,365 2.773,366 3.773,367 2.89,368 5.741,369 3.394,370 2.426,371 3.014,372 0.86,373 7.583,374 2.341,375 3.43,376 2.729,377 5.284,378 3.303,379 2.38,380 2.468,381 0.6,382 6.713,383 2.195,384 3.43,385 2.728,386 5.284,387 3.3,388 2.374,389 2.467,390 0.4,391 6.713,392 2.193,393 3.264,394 2.435,395 4.559,396 2.766,397 1.781,398 2.384,399 0.172,400 4.719,401 1.743,402 2.917,403 1.972,404 4.316,405 2.671,406 1.7,407 2.088,408 0.172,409 4.041,410 1.647,411 2.917,412 1.956,413 4.316,414 2.55,415 1.577,416 2.088,418 4.037,419 1.535,420 2.858,421 1.897,422 3.889,423 2.481,424 1.534,425 1.958,427 3.515,428 1.444,429 2.844,430 1.616,431 3.699,432 2.468,433 1.501,434 1.953,436 3.241,437 1.439,438 2.762,439 1.527,440 3.623,441 2.418,442 1.424,443 1.746,445 3.022,446 1.413,447 2.591,448 1.496,449 3.616,450 2.397,451 1.406,452 1.58,454 3.007,455 1.391,456 2.369,457 1.43,458 3.462,459 2.025,460 1.068,461 1.228,463 2.402,464 1.016,465 1.89,466 0.956,467 3.122,468 1.775,469 0.809,470 0.838,472 1.697,473 0.779,474 19.933,475 0.475,476 0.691,477 0.016,478 45,479 1.071,480 19,481 0.452,482 26,483 0.619,484 46.41,485 1.105,486 48.467,487 0.539,488 37.847,489 0.901,490 9.177,491 0.218,492 11.305,493 0.269,494 0.134,496 0.241,501 0.882,502 1.511,503 0.962,504 1.303,505 0.759,506 1.164,507 1.204,508 1.13,509 1.034,510 1.001,511 0.705,512 0.982,513 0.952,514 1.12,515 0.975,516 1.046,517 0.772,518 1.008,519 0.985,520 1.096,521 1.079,522 1.084,523 0.88,524 1.092,525 0.74,526 0.982,527 0.987,528 1.048,529 0.838,530 1.048,531 1.076,532 1.017,533 1.064,534 1.038,535 1.152,536 1.052,537 1.139,538 1.055,539 1.119,540 1.052,541 1.19,542 1.081,543 0.922,544 0.93,545 0.948,546 0.901,547 1.129,548 0.923,549 7,550 0.305,551 4,552 2.25,553 2.249,554 1.042,555 0.648,556 0.448,557 0.304,558 0.262,559 36654,560 82884,561 1.995,562 53.3,564 32,567 2,569 14,572 1.804,573 1.881,574 4.198,575 0.078,582 127.215,583 1.413,584 3.392,585 4.725,586 5.219,587 5.392,588 5.458,589 3.594,590 4.166,591 5.365,592 4.488,593 3864.07,594 9.437,595 81299.5,600 584.267,601 1.322,602 5.328,603 0.159,604 0.007,605 0.071,606 0.037,607 0.04,608 0.019,609 0.013,610 0.01,611 0.008,612 0.006,613 0.371,614 0.33,615 0.75,616 0.853,617 251.89,618 -0.012,619 -0.212,620 0.045,621 -0.093,622 -0.024,623 -0.029,624 -0.124,625 0.03,626 -0.008,627 0.04,628 0.019,629 0.037,630 0.022,631 -0.027,632 0.028,633 -0.027,634 0.105,636 0.029,637 -0.054,638 -0.08,639 -0.078,640 0.005,641 -0.094,642 0.067,643 0.014,644 -0.021,645 -0.047,646 0.065,647 -0.046,648 -0.094,649 -0.054,650 -0.081,651 -0.048,652 -0.112,653 -0.062,654 -0.121,655 -0.095,656 -0.131,657 -0.084,658 -0.143,659 -0.107,660 0.007,661 0.001,662 0.03,663 0.032,664 -0.07,665 0.032,666 1.837,667 5.635,668 0.429,669 71.964,670 0.991,671 1.133,672 2.436,673 5.936,674 0.629,675 3.807,676 4.043,677 4.263,678 4.419,679 4.575,680 4.489,681 4.419,682 4.394,683 4.419,684 4.443,685 11.907,686 0.584,687 576.86,688 3.807,689 5.303,690 6.116,691 6.948,692 7.777,693 8.613,694 9.448,695 10.286,696 11.122,697 11.962,698 4.4,700 1,701 2,707 1,715 8,720 4,722 12,739 2,741 90,743 16,744 2,745 44,747 92,748 34,749 12,750 4,751 8,752 6,756 3,757 3,763 2,770 4,772 18,773 16,777 4,782 1,784 2,785 1,786 4,793 48,794 8,795 2,796 8,802 4,808 1,809 4,829 3,839 1,841 1,849 4,853 1,855 2,857 1,859 3,864 4,868 42,875 1,876 12,877 1,878 2,881 2,893 4.4,895 1,896 1,898 2,901 22.333,902 16.883,903 9.944,904 5.779,907 2.945,908 1.378,909 0.922,910 14.814,911 10.736,912 4.007,913 4.466,914 4.945,915 5.355,916 5.773,917 5.711,918 5.738,919 5.769,920 5.814,921 5.863,922 0.923,923 61,924 15.595,926 6.243,927 0.026,929 7.615,931 30.374,933 23.783,936 2.115,937 88.833,941 541.471,942 188.668,943 41.045,945 89.828,948 188.668,949 631.299,950 41.045,951 39.417,952 26.984,953 112.773,954 78.475,955 61.892,957 541.471,959 541.471,960 229.713,961 89.828,964 376.675,965 254.623,968 85.679,969 122.324,970 21.709,972 541.471,973 130.873,974 188.668,977 541.471,978 54.489,979 140.428,980 18.011,981 106.614,982 541.471,983 130.873,984 188.668,986 0.553,987 0.332,988 0.176,989 0.094,990 19,991 10,992 0.207,993 19,995 1,996 5.349,997 366.413,999 18,1000 226.477,1005 33.54,1006 18.551,1007 11.001,1009 130.873,1010 16.235,1015 4.194,1017 60.694,1018 861.011,1019 54,1024 12.635,1026 2.941,1027 4.474,1028 0.675,1031 89.156,1032 101.965,1034 0.218,1035 0.523,1036 0.728,1037 0.804,1038 0.831,1039 0.841,1040 5.215,1041 1.7,1042 6.052,1043 4.719,1044 4.727,1045 5.153,1046 2.08,1047 6.781,1048 4.649,1049 6.36,1050 1.577,1051 7.563,1052 4.041,1053 4.111,1054 4.745,1055 0.57,1056 7.554,1057 3.992,1058 7.627,1059 1.534,1060 9.175,1061 4.037,1062 6.24,1063 7.187,1064 1.689,1065 10.605,1066 6.094,1067 8.931,1068 1.501,1069 10.85,1070 3.515,1071 6.494,1072 7.642,1073 0.674,1074 12.211,1075 6.307,1076 10.27,1077 1.424,1078 12.565,1079 3.241,1080 8.02,1081 9.526,1082 1.417,1083 14.748,1084 7.816,1085 11.634,1086 1.406,1087 14.306,1088 3.022,1089 8.689,1090 10.396,1091 0.66,1092 16.689,1093 8.45,1094 13.016,1095 1.068,1096 16.066,1097 3.007,1098 9.957,1099 12.03,1100 1.203,1101 19.039,1102 9.704,1103 2.988,1104 0.809,1105 17.838,1106 2.402,1107 10.831,1108 13.112,1109 0.611,1110 21.127,1111 10.55,1112 2.875,1113 9.366,1114 19.62,1115 1.697,1116 11.985,1117 14.618,1118 1.023,1119 23.402,1120 11.689,1121 2.875,1122 9.118,1123 21.409,1124 3.846,1125 12.959,1126 15.812,1127 0.55,1128 25.558,1129 12.638,1130 2.426,1131 9.118,1132 23.203,1133 3.805,1134 14.063,1135 17.248,1136 0.869,1137 27.801,1138 13.727,1139 2.38,1140 7.583,1141 25.002,1142 3.805,1143 15.086,1144 18.503,1145 0.487,1146 29.989,1147 14.729,1148 2.374,1149 6.713,1150 26.804,1151 3.014,1152 16.17,1153 19.9,1154 0.735,1155 32.22,1156 15.796,1157 1.781,1158 6.713,1159 28.608,1160 2.468,1161 17.217,1162 21.191,1163 0.427,1164 34.424,1165 16.824,1166 35778,1167 53992,1168 29.008,1169 56.592,1170 62.454,1171 63.589,1172 64.941,1173 61.88,1174 61.895,1175 75.51,1176 9.795,1177 164.263,1178 59.393,1179 5.336,1180 5.581,1181 6.022,1182 5.012,1183 4.988,1184 6.846,1185 1.776,1186 16.052,1187 4.947,1188 23.16,1189 1.419,1190 1.445,1191 1.476,1192 1.406,1193 1.407,1194 1.716,1195 0.223,1196 3.733,1197 1.35,1198 3.988,1199 4.026,1200 3.92,1201 3.888,1202 7.428,1203 3.89,1204 3.925,1205 3.956,1206 3.861,1207 3.845,1208 6.469,1209 3.844,1210 3.902,1211 3.927,1212 3.857,1213 3.791,1214 4.877,1215 3.805,1216 3.726,1217 3.793,1218 3.586,1219 3.569,1220 4.847,1221 3.562,1222 3.701,1223 3.762,1224 3.567,1225 3.55,1226 4.617,1227 3.544,1228 3.537,1229 3.62,1230 3.389,1231 3.345,1232 4.394,1233 3.341,1234 3.482,1235 3.559,1236 3.302,1237 3.311,1238 4.392,1239 3.298,1240 3.25,1241 3.337,1242 3.079,1243 3.048,1244 4.353,1245 3.041,1246 0.1,1247 0.081,1248 0.142,1249 0.09,1250 0.068,1251 4.381,1252 0.087,1253 3.581,1254 0.021,1255 6.25,1256 0.213,1257 3.974,1258 0.067,1259 2.988,1260 3.846,1261 0.916,1262 9.366,1263 2.947,1264 1.913,1265 1.887,1266 2.044,1267 2.036,1268 1.326,1269 2.04,1270 1.913,1271 1.886,1272 2.042,1273 2.03,1274 1.321,1275 2.036,1276 1.851,1277 1.826,1278 1.979,1279 1.995,1280 1.169,1281 1.987,1282 1.722,1283 1.655,1284 1.951,1285 1.902,1286 1.162,1287 1.921,1288 1.687,1289 1.625,1290 1.877,1291 1.865,1292 1.014,1293 1.876,1294 1.526,1295 1.446,1296 1.816,1297 1.751,1298 0.998,1299 1.775,1300 1.493,1301 1.415,1302 1.783,1303 1.697,1304 0.944,1305 1.731,1306 1.242,1307 1.156,1308 1.574,1309 1.514,1310 0.764,1311 1.534,1312 4.489,1314 5.746,1316 7.198,1318 8.743,1320 10.336,1322 7.731,1327 10.504,1328 10.491,1329 3.219,1330 10.965,1333 4.769,1340 52.534,1341 127.215,1342 305.321,1343 425.273,1344 469.737,1345 485.247,1346 491.247,1347 113.484,1348 7.79,1349 86.63,1350 86.63,1351 18,1352 12.528,1353 4.087,1354 3.459,1355 95.451,1356 307,1357 238,1358 0.145,1359 328.618,1360 590.64,1361 793.588,1362 34934,1364 30.158,1365 0.718,1366 0.614,1367 30.158,1368 25.772,1369 20.481,1370 0.465,1371 0.344,1372 14.91,1373 19.678,1374 14.442,1375 12.119,1376 20.481,1377 15.124,1378 16.668,1379 0.298,1380 0.186,1381 16.668,1382 10.421,1383 13.942,1384 0.199,1385 0.108,1386 13.942,1387 7.526,1388 10.74,1389 0.131,1390 0.061,1391 10.74,1392 5,1393 8.428,1394 0.088,1395 0.035,1396 8.428,1397 3.376,1398 0.245,1399 128.407,1400 0.186,1401 39.134,1402 0.358,1403 200,1404 550.624,1405 217.569,1406 524.567,1407 707.73,1408 494,1409 226,1410 499.786,1411 244.737,1412 509.679,1413 734.8,1414 476,1415 7.866}
{0 CHEMBL243273,1 1.354,2 24.333,3 7.472,4 55.826,5 202.523,6 6.121,7 0.24,8 4.714,9 4.854,10 4.09,11 4.197,12 5.67,13 4.136,14 5.294,15 5.514,16 4.347,17 4.561,18 6.147,19 4.461,20 5.56,21 5.818,22 4.455,23 4.723,24 6.388,25 4.592,26 5.661,27 5.926,28 4.418,29 4.779,30 6.454,31 4.62,32 5.729,33 6.013,34 4.39,35 4.821,36 6.499,37 4.639,38 5.751,39 6.036,40 4.332,41 4.808,42 6.492,43 4.623,44 5.705,45 5.987,46 4.228,47 4.76,48 6.441,49 4.562,50 5.665,51 5.97,52 4.123,53 4.678,54 6.365,55 4.463,56 0.12,57 1.469,58 26.549,59 10.584,60 17.405,61 15.177,62 0.401,63 2.306,64 46.933,65 16.277,66 39.95,67 24.421,68 0.588,69 2.8,70 60.25,71 20.865,72 65.012,73 31.463,74 0.794,75 2.989,76 66.483,77 23.219,78 71.976,79 34.725,80 0.696,81 3.136,82 70.054,83 25.308,84 85.732,85 37.732,86 0.724,87 3.107,88 71.822,89 25.162,90 76.842,91 37.454,92 0.675,93 2.96,94 68.415,95 24.414,96 72.947,97 36.145,98 0.66,99 2.778,100 65.089,101 23.326,102 70.016,103 34.672,104 53,105 62,106 0.196,107 0.46,108 0.66,109 0.755,110 0.798,111 0.813,112 3.894,113 1.087,114 -4.72,115 -4.64,116 -4.36,121 37,122 2,123 10,126 2,127 8,137 2,140 2,144 8,145 2,146 2,158 2,176 16,180 13,185 3,187 14,191 1,192 11,196 1,197 3,200 9,205 2,206 9,209 2,211 1,214 10,219 6,222 2,224 2,227 12,232 9,237 3,239 18,244 5,249 3,251 18,255 1,256 5,259 1,261 3,264 16,269 5,274 3,277 11,281 6932,282 33.103,283 33.103,284 33.103,285 33.103,286 33.103,287 30.82,288 40.87,289 20.592,290 33.861,291 24.474,292 24.474,293 24.474,294 24.474,295 24.474,296 20.934,297 52.552,298 9.522,299 25.421,300 5.401,301 3.575,302 2.194,303 1.54,304 1.246,305 1.139,306 4.58,312 1,313 2416,314 5.657,318 658.643,325 4.556,326 36.401,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 102,338 1168,339 4.381,340 3.581,341 6.25,342 3.974,343 2.988,344 3.846,345 0.916,346 9.366,347 2.947,348 4.206,349 3.188,350 6.159,351 3.84,352 2.875,353 3.805,354 0.916,355 9.118,356 2.773,357 4.206,358 3.188,359 6.159,360 3.84,361 2.875,362 3.805,363 0.86,364 9.118,365 2.773,366 3.773,367 2.889,368 5.741,369 3.392,370 2.422,371 3.014,372 0.86,373 7.583,374 2.34,375 3.43,376 2.729,377 5.284,378 3.304,379 2.38,380 2.467,381 0.6,382 6.713,383 2.198,384 3.43,385 2.729,386 5.284,387 3.304,388 2.38,389 2.467,390 0.4,391 6.713,392 2.198,393 3.266,394 2.437,395 4.559,396 2.857,397 1.863,398 2.385,399 0.172,400 4.72,401 1.847,402 2.917,403 1.979,404 4.316,405 2.849,406 1.86,407 2.088,408 0.172,409 4.045,410 1.837,411 2.917,412 1.962,413 4.316,414 2.697,415 1.709,416 2.088,418 4.044,419 1.68,420 2.9,421 1.941,422 3.94,423 2.527,424 1.567,425 1.964,427 3.76,428 1.504,429 2.871,430 1.819,431 3.861,432 2.497,433 1.547,434 1.961,436 3.666,437 1.466,438 2.827,439 1.715,440 3.723,441 2.464,442 1.497,443 1.868,445 3.17,446 1.438,447 2.794,448 1.522,449 3.623,450 2.44,451 1.446,452 1.813,454 3.036,455 1.432,456 2.631,457 1.512,458 3.619,459 2.398,460 1.41,461 1.581,463 3.01,464 1.388,465 2.426,466 1.426,467 3.514,468 2.337,469 1.349,470 1.412,472 2.852,473 1.33,474 22.933,475 0.478,476 0.691,477 0.014,478 48,479 1,480 19,481 0.396,482 29,483 0.604,484 58.816,485 1.225,486 56.267,487 0.521,488 38.818,489 0.809,490 9.177,491 0.191,492 14.305,493 0.298,494 0.116,496 0.209,501 0.882,502 1.51,503 1.021,504 1.331,505 0.754,506 1.21,507 1.172,508 1.187,509 1.086,510 1.086,511 0.69,512 1.067,513 0.899,514 1.092,515 0.959,516 1.033,517 0.727,518 0.999,519 0.951,520 1.078,521 1.05,522 1.065,523 0.846,524 1.068,525 0.755,526 1.033,527 0.977,528 1.047,529 0.824,530 1.036,531 1.116,532 0.954,533 1.057,534 0.983,535 1.147,536 1.009,537 1.098,538 1.024,539 1.114,540 1.061,541 1.152,542 1.089,543 0.869,544 0.897,545 0.984,546 0.964,547 1.082,548 0.985,549 7,550 0.198,551 4,552 2.25,553 2.249,554 1.042,555 0.73,556 0.448,557 0.304,558 0.202,559 58532,560 122462,561 1.996,562 55.6,563 12,564 32,567 2,569 14,572 1.833,573 1.895,574 4.484,575 0.023,582 146.237,583 1.354,584 3.18,585 4.561,586 5.215,587 5.509,588 5.616,589 3.887,590 4.387,591 5.557,592 4.798,593 5412.13,594 9.808,595 135207,600 729.528,601 1.236,602 5.528,603 0.14,604 0.005,605 0.065,606 0.034,607 0.036,608 0.017,609 0.013,610 0.009,611 0.007,612 0.005,613 0.33,614 0.17,615 0.75,616 0.79,617 304.015,618 0.003,619 -0.183,620 0.043,621 -0.08,622 0.001,623 -0.025,624 -0.099,625 -0.018,626 -0.037,627 -0.015,628 0.036,629 -0.016,630 0.05,631 -0.02,632 0.05,633 -0.013,634 0.128,635 0.015,636 0.052,637 -0.044,638 -0.047,639 -0.058,640 0.031,641 -0.065,642 0.053,643 -0.037,644 -0.007,645 -0.046,646 0.075,647 -0.034,648 -0.1,649 0.02,650 -0.068,651 -0.005,652 -0.1,653 -0.028,654 -0.11,655 -0.053,656 -0.131,657 -0.071,658 -0.126,659 -0.1,660 -0.02,661 0.039,662 -0.026,663 -0.003,664 -0.082,665 -0.014,666 1.807,667 5.631,668 0.375,669 102.618,670 0.986,671 1.134,672 3.493,673 12.204,674 0.622,675 3.932,676 4.143,677 4.344,678 4.489,679 4.635,680 4.554,681 4.489,682 4.443,683 4.419,684 4.394,685 14.661,686 0.571,687 661.04,688 3.932,689 5.416,690 6.217,691 7.036,692 7.854,693 8.681,694 9.506,695 10.337,696 11.166,697 11.999,698 3.7,700 1,701 2,707 1,715 8,720 4,722 12,739 2,741 108,743 16,744 2,745 50,747 110,748 40,749 12,750 4,751 8,752 6,756 3,757 3,763 2,770 10,772 18,773 22,777 4,782 1,784 2,785 1,786 4,793 60,794 8,795 2,796 8,802 4,808 1,809 4,829 3,839 1,841 1,849 4,853 1,855 2,857 1,859 3,864 4,868 48,875 1,876 18,877 1,878 2,881 2,893 3.7,895 1,896 1,898 2,901 25.333,902 19.883,903 11.444,904 7.279,907 2.825,908 1.353,909 0.918,910 19.248,911 10.82,912 4.111,913 4.533,914 4.987,915 5.383,916 5.792,917 5.731,918 5.754,919 5.769,920 5.772,921 5.746,922 0.938,923 67,924 17.862,926 7.096,927 0.026,929 7.538,931 35.272,933 27.783,936 2.038,937 97.833,941 682.724,942 203.875,943 41.045,945 89.828,948 203.875,949 772.552,950 41.045,951 39.417,952 42.191,953 112.773,954 78.475,955 61.892,957 682.724,959 682.724,960 244.92,961 89.828,964 517.928,965 254.623,968 100.886,969 122.324,970 21.709,972 682.724,973 130.873,974 203.875,977 682.724,978 69.696,979 140.428,980 18.011,981 106.614,982 682.724,983 130.873,984 203.875,986 0.546,987 0.322,988 0.17,989 0.091,990 19,991 10,992 0.227,993 25,995 1,996 6.018,997 419.886,999 18,1000 266.078,1005 39.477,1006 23.404,1007 14.597,1009 130.873,1010 16.481,1015 4.372,1017 60.694,1018 1017.47,1019 60,1024 12.631,1026 2.996,1027 4.489,1028 0.802,1031 106.457,1032 122.456,1034 0.2,1035 0.471,1036 0.675,1037 0.772,1038 0.816,1039 0.831,1040 5.308,1041 1.86,1042 6.133,1043 4.72,1044 4.828,1045 5.22,1046 2.08,1047 6.834,1048 4.758,1049 6.431,1050 1.709,1051 7.623,1052 4.045,1053 4.111,1054 4.745,1055 0.57,1056 7.554,1057 3.992,1058 7.681,1059 1.567,1060 9.218,1061 4.044,1062 6.308,1063 7.213,1064 1.689,1065 10.619,1066 6.172,1067 8.971,1068 1.547,1069 10.879,1070 3.76,1071 6.494,1072 7.642,1073 0.674,1074 12.211,1075 6.307,1076 10.299,1077 1.497,1078 12.584,1079 3.666,1080 8.059,1081 9.535,1082 1.417,1083 14.751,1084 7.863,1085 11.654,1086 1.446,1087 14.319,1088 3.17,1089 8.689,1090 10.396,1091 0.66,1092 16.689,1093 8.45,1094 13.031,1095 1.41,1096 16.074,1097 3.036,1098 9.977,1099 12.033,1100 1.203,1101 19.04,1102 9.73,1103 2.988,1104 1.349,1105 17.843,1106 3.01,1107 10.831,1108 13.112,1109 0.611,1110 21.127,1111 10.55,1112 2.875,1113 9.366,1114 19.623,1115 2.852,1116 11.994,1117 14.618,1118 1.023,1119 23.402,1120 11.701,1121 2.875,1122 9.118,1123 21.411,1124 3.846,1125 12.959,1126 15.812,1127 0.55,1128 25.558,1129 12.638,1130 2.422,1131 9.118,1132 23.204,1133 3.805,1134 14.067,1135 17.248,1136 0.869,1137 27.801,1138 13.733,1139 2.38,1140 7.583,1141 25.002,1142 3.805,1143 15.086,1144 18.503,1145 0.487,1146 29.989,1147 14.729,1148 2.38,1149 6.713,1150 26.804,1151 3.014,1152 16.172,1153 19.9,1154 0.735,1155 32.22,1156 15.799,1157 1.863,1158 6.713,1159 28.609,1160 2.467,1161 17.217,1162 21.191,1163 0.427,1164 34.424,1165 16.824,1166 57074,1167 82782,1168 33.167,1169 67.16,1170 70.002,1171 71.385,1172 72.76,1173 69.616,1174 69.628,1175 83.251,1176 9.795,1177 179.757,1178 67.121,1179 5.351,1180 5.581,1181 6.14,1182 5.005,1183 4.988,1184 6.846,1185 1.776,1186 16.052,1187 4.947,1188 25.759,1189 1.4,1190 1.428,1191 1.455,1192 1.392,1193 1.393,1194 1.665,1195 0.196,1196 3.595,1197 1.342,1198 3.993,1199 4.033,1200 3.921,1201 3.892,1202 7.428,1203 3.893,1204 3.925,1205 3.957,1206 3.861,1207 3.845,1208 6.469,1209 3.844,1210 3.908,1211 3.936,1212 3.861,1213 3.796,1214 4.877,1215 3.809,1216 3.77,1217 3.833,1218 3.621,1219 3.64,1220 4.847,1221 3.626,1222 3.761,1223 3.815,1224 3.618,1225 3.638,1226 4.618,1227 3.623,1228 3.637,1229 3.712,1230 3.492,1231 3.459,1232 4.394,1233 3.455,1234 3.606,1235 3.678,1236 3.452,1237 3.437,1238 4.392,1239 3.43,1240 3.458,1241 3.541,1242 3.292,1243 3.28,1244 4.351,1245 3.268,1246 0.088,1247 0.072,1248 0.125,1249 0.079,1250 0.06,1251 4.381,1252 0.077,1253 3.581,1254 0.018,1255 6.25,1256 0.187,1257 3.974,1258 0.059,1259 2.988,1260 3.846,1261 0.916,1262 9.366,1263 2.947,1264 1.913,1265 1.887,1266 2.059,1267 2.034,1268 1.399,1269 2.042,1270 1.913,1271 1.887,1272 2.056,1273 2.032,1274 1.397,1275 2.04,1276 1.857,1277 1.829,1278 2.016,1279 2.007,1280 1.238,1281 2.004,1282 1.785,1283 1.724,1284 2.009,1285 1.943,1286 1.233,1287 1.97,1288 1.76,1289 1.705,1290 1.923,1291 1.913,1292 1.122,1293 1.927,1294 1.625,1295 1.551,1296 1.878,1297 1.831,1298 1.111,1299 1.851,1300 1.602,1301 1.53,1302 1.847,1303 1.8,1304 1.001,1305 1.821,1306 1.464,1307 1.383,1308 1.769,1309 1.68,1310 0.984,1311 1.713,1312 4.615,1314 5.855,1316 7.284,1318 8.808,1320 10.384,1322 7.875,1327 10.505,1328 18.504,1329 3.243,1330 11.011,1333 4.926,1340 61.695,1341 146.237,1342 343.401,1343 492.586,1344 563.224,1345 594.999,1346 606.508,1347 145.262,1348 7.996,1349 86.63,1350 86.63,1351 18,1352 12.571,1353 4.087,1354 3.459,1355 119.019,1356 430,1357 334,1358 0.126,1359 386.172,1360 694.44,1361 934.02,1362 50842,1364 34.401,1365 0.717,1366 0.625,1367 34.401,1368 30.015,1369 23.481,1370 0.47,1371 0.362,1372 17.91,1373 22.678,1374 17.384,1375 14.619,1376 23.481,1377 18.124,1378 18.789,1379 0.303,1380 0.202,1381 18.789,1382 12.542,1383 15.442,1384 0.203,1385 0.119,1386 15.442,1387 9.026,1388 11.801,1389 0.134,1390 0.069,1391 11.801,1392 6.06,1393 9.178,1394 0.09,1395 0.04,1396 9.178,1397 4.095,1398 0.217,1399 146.407,1400 0.174,1401 44.204,1402 0.302,1403 224,1404 574.624,1405 241.569,1406 549.537,1407 742.29,1408 518,1409 250,1410 523.786,1411 268.737,1412 534.648,1413 769.36,1414 500,1415 8.108}
{0 CHEMBL243274,1 1.298,2 22.5,3 7.565,4 57.222,5 190.477,6 6.01,7 0.261,8 4.629,9 4.775,10 3.99,11 4.145,12 5.563,13 4.071,14 5.208,15 5.435,16 4.264,17 4.519,18 6.041,19 4.406,20 5.49,21 5.751,22 4.354,23 4.684,24 6.306,25 4.538,26 5.599,27 5.875,28 4.289,29 4.724,30 6.359,31 4.542,32 5.665,33 5.968,34 4.266,35 4.733,36 6.406,37 4.541,38 5.603,39 5.878,40 4.212,41 4.733,42 6.351,43 4.538,44 5.65,45 5.953,46 4.102,47 4.697,48 6.355,49 4.473,50 5.551,51 5.864,52 4.01,53 4.564,54 6.235,55 4.344,56 0.123,57 1.379,58 24.5,59 9.867,60 15.546,61 14.377,62 0.301,63 2.204,64 42.691,65 15.442,66 33.006,67 23.439,68 0.52,69 2.7,70 55.694,71 20.002,72 59.8,73 30.247,74 0.551,75 2.887,76 61.295,77 22.311,78 62.014,79 33.606,80 0.663,81 2.94,82 64.705,83 23.395,84 81.839,85 35.128,86 0.474,87 2.837,88 61.128,89 23.3,90 59.624,91 34.222,92 0.553,93 2.841,94 63.249,95 23.865,96 66.207,97 35.153,98 0.45,99 2.515,100 56.927,101 21.144,102 56.876,103 31.411,104 41,105 58,106 0.191,107 0.46,108 0.669,109 0.754,110 0.79,111 0.813,112 3.809,113 1.102,114 -5.89,115 -5.74,116 -5.35,121 38,122 4,123 8,127 8,137 2,140 2,144 8,145 4,158 2,176 20,180 9,185 3,187 20,191 1,192 9,196 1,197 3,200 13,206 9,209 2,211 1,214 10,219 6,222 2,224 2,227 16,232 2,237 2,239 24,243 1,244 3,247 1,249 3,251 22,256 3,261 3,264 14,269 6,274 4,277 9,281 5336,282 29.949,283 29.949,284 29.949,285 29.949,286 29.949,287 27.56,288 36.929,289 18.552,290 30.364,291 22.599,292 22.599,293 22.599,294 22.599,295 22.599,296 19.081,297 46.794,298 8.725,299 23.186,300 5.346,301 3.51,302 2.09,303 1.513,304 1.265,305 1.11,306 4.494,313 2056,314 5.292,318 596.05,325 4.182,326 30.844,329 0.5,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.68,337 92,338 990,339 4.381,340 3.581,341 6.25,342 3.974,343 2.988,344 3.846,345 0.916,346 9.366,347 2.947,348 4.176,349 3.116,350 6.061,351 3.827,352 2.84,353 3.779,354 0.916,355 8.744,356 2.808,357 4.176,358 3.116,359 6.061,360 3.827,361 2.84,362 3.779,363 0.6,364 8.744,365 2.808,366 3.773,367 2.889,368 5.741,369 3.392,370 2.422,371 3.014,372 0.4,373 7.583,374 2.34,375 3.423,376 2.649,377 5.257,378 3.297,379 2.362,380 2.463,381 0.172,382 6.604,383 2.202,384 3.423,385 2.649,386 5.257,387 3.296,388 2.361,389 2.463,390 0.172,391 6.604,392 2.202,393 3.266,394 2.437,395 4.559,396 2.826,397 1.835,398 2.385,400 4.72,401 1.813,402 2.89,403 1.955,404 4.142,405 2.808,406 1.822,407 2.04,409 3.789,410 1.794,411 2.881,412 1.8,413 4.142,414 2.666,415 1.675,416 2.04,418 3.755,419 1.652,420 2.86,421 1.72,422 3.927,423 2.458,424 1.47,425 1.933,427 3.64,428 1.451,429 2.831,430 1.666,431 3.822,432 2.435,433 1.44,434 1.929,436 3.538,437 1.431,438 2.799,439 1.615,440 3.662,441 2.414,442 1.414,443 1.838,445 3.005,446 1.414,447 2.752,448 1.475,449 3.599,450 2.414,451 1.414,452 1.762,454 2.97,455 1.414,456 2.569,457 1.473,458 3.595,459 2.328,460 1.355,461 1.495,463 2.933,464 1.313,465 2.294,466 1.312,467 3.412,468 2.21,469 1.227,470 1.272,472 2.584,473 1.204,474 21.267,475 0.483,476 0.767,477 0.017,478 44,479 1,480 18,481 0.409,482 26,483 0.591,484 53.727,485 1.221,486 50.733,487 0.507,488 33.869,489 0.77,490 8.29,491 0.188,492 13.116,493 0.298,494 0.125,496 0.226,501 0.881,502 1.448,503 1.054,504 1.264,505 0.768,506 1.187,507 1.017,508 1.192,509 1.067,510 1.091,511 0.595,512 1.072,513 0.947,514 1.096,515 1.019,516 1.043,517 0.744,518 1.032,519 0.878,520 1.152,521 1.064,522 1.126,523 0.802,524 1.11,525 0.923,526 0.863,527 0.932,528 0.885,529 0.827,530 0.902,531 1.095,532 1.072,533 1.123,534 1.114,535 1.209,536 1.123,537 0.96,538 0.944,539 1.04,540 1.022,541 1.092,542 1.038,543 0.955,544 0.949,545 0.92,546 0.948,547 1.114,548 0.939,549 7,550 0.198,551 4,552 2.25,553 2.169,554 0.917,555 0.648,556 0.448,557 0.254,558 0.242,559 45120,560 85634,561 1.995,562 56,563 14,564 26,567 2,569 14,572 1.813,573 1.886,574 4.372,575 0.013,582 129.752,583 1.298,584 3.133,585 4.554,586 5.131,587 5.379,588 5.534,589 3.789,590 4.243,591 5.43,592 4.664,593 4412.38,594 9.559,595 100794,600 664.386,601 1.293,602 5.398,603 0.152,604 0.005,605 0.069,606 0.037,607 0.04,608 0.017,609 0.013,610 0.01,611 0.006,612 0.006,613 0.356,614 0.17,615 0.63,616 0.719,617 270.685,618 0.002,619 -0.141,620 0.035,621 -0.037,622 -0.027,623 -0.007,624 -0.053,625 -0.018,626 -0.017,627 -0.022,628 0.061,629 -0.014,630 0.069,631 -0.022,632 0.002,633 -0.026,634 0.11,635 -0.018,636 0.066,637 -0.128,638 -0.067,639 -0.125,640 0.034,641 -0.11,642 0.066,643 0.101,644 0.049,645 0.073,646 0.1,647 0.064,648 -0.096,649 -0.074,650 -0.13,651 -0.098,652 -0.112,653 -0.115,654 -0.022,655 0.001,656 -0.071,657 -0.049,658 -0.091,659 -0.063,660 -0.001,661 -0.039,662 0.04,663 0.009,664 -0.056,665 0.024,666 1.798,667 5.604,668 0.409,669 87.025,670 0.98,671 1.132,672 4.656,673 21.678,674 0.627,675 3.85,676 4.078,677 4.263,678 4.394,679 4.554,680 4.443,681 4.369,682 4.369,683 4.344,684 4.317,685 13.343,686 0.572,687 600.98,688 3.85,689 5.342,690 6.142,691 6.963,692 7.78,693 8.606,694 9.43,695 10.259,696 11.087,697 11.918,698 4,700 1,701 2,707 1,715 8,720 4,722 12,741 100,743 16,744 2,745 46,747 102,748 38,749 12,750 4,751 8,752 6,756 3,757 3,763 4,770 8,772 18,773 20,777 4,782 1,784 2,785 1,786 4,793 56,794 6,795 2,796 6,802 4,808 1,809 2,829 3,839 1,841 1,849 4,853 1,855 2,857 1,859 3,864 4,868 44,875 1,876 16,877 1,881 2,893 2,895 1,896 1,901 23.333,902 18.55,903 10.278,904 6.863,907 2.739,908 1.351,909 0.928,910 16.346,911 10.542,912 4.043,913 4.489,914 4.931,915 5.317,916 5.734,917 5.635,918 5.624,919 5.704,920 5.71,921 5.644,922 0.933,923 61,924 16.395,926 6.555,927 0.026,929 7.496,931 32.57,933 25.962,936 1.996,937 87.833,941 635.64,942 190.574,943 41.045,945 67.828,948 190.574,949 703.468,950 41.045,951 35.301,952 37.122,953 112.773,954 78.475,955 35.776,957 635.64,959 635.64,960 231.619,961 67.828,964 470.844,965 232.624,968 113.468,969 96.443,970 21.709,972 635.64,973 108.873,974 190.574,977 635.64,978 60.511,979 136.312,980 18.011,981 84.614,982 635.64,983 108.873,984 190.574,986 0.555,987 0.32,988 0.163,989 0.09,990 19,991 10,992 0.206,993 21,995 1,996 5.669,997 377.239,999 18,1000 232.215,1005 35.594,1006 20.206,1007 12.947,1009 108.873,1010 17.259,1015 5.535,1017 60.694,1018 935.087,1019 56,1024 12.604,1026 3.01,1027 4.49,1028 0.838,1031 98.035,1032 113.207,1034 0.195,1035 0.472,1036 0.685,1037 0.772,1038 0.81,1039 0.833,1040 5.247,1041 1.822,1042 6.071,1043 4.72,1044 4.762,1045 5.176,1046 1.619,1047 6.772,1048 4.715,1049 6.384,1050 1.675,1051 7.565,1052 3.789,1053 4.111,1054 4.745,1055 0.57,1056 7.476,1057 4.035,1058 7.642,1059 1.47,1060 9.162,1061 3.755,1062 6.248,1063 7.183,1064 1.171,1065 10.535,1066 6.155,1067 8.935,1068 1.44,1069 10.823,1070 3.64,1071 6.463,1072 7.62,1073 0.674,1074 12.086,1075 6.35,1076 10.265,1077 1.414,1078 12.525,1079 3.538,1080 8.001,1081 9.508,1082 0.92,1083 14.627,1084 7.874,1085 11.621,1086 1.414,1087 14.255,1088 3.005,1089 8.641,1090 10.363,1091 0.66,1092 16.524,1093 8.502,1094 12.996,1095 1.355,1096 16.004,1097 2.97,1098 9.916,1099 12,1100 0.757,1101 18.87,1102 9.765,1103 2.988,1104 1.227,1105 17.766,1106 2.933,1107 10.769,1108 13.07,1109 0.611,1110 20.923,1111 10.611,1112 2.84,1113 9.366,1114 19.539,1115 2.584,1116 11.926,1117 14.578,1118 0.64,1119 23.189,1120 11.757,1121 2.84,1122 8.744,1123 21.319,1124 3.846,1125 12.886,1126 15.762,1127 0.55,1128 25.317,1129 12.709,1130 2.422,1131 8.744,1132 23.104,1133 3.779,1134 13.989,1135 17.199,1136 0.548,1137 27.548,1138 13.803,1139 2.362,1140 7.583,1141 24.894,1142 3.779,1143 15.003,1144 18.446,1145 0.487,1146 29.715,1147 14.809,1148 2.361,1149 6.604,1150 26.688,1151 3.014,1152 16.084,1153 19.843,1154 0.471,1155 31.933,1156 15.88,1157 1.835,1158 6.604,1159 28.484,1160 2.463,1161 17.125,1162 21.126,1163 0.427,1164 34.12,1165 16.912,1166 43864,1167 60666,1168 30.394,1169 62.728,1170 65.181,1171 65.978,1172 67.387,1173 64.603,1174 64.569,1175 78.196,1176 6.355,1177 168.464,1178 63.045,1179 5.347,1180 5.581,1181 6.114,1182 5.005,1183 4.988,1184 6.846,1185 1.605,1186 16.052,1187 4.947,1188 24.122,1189 1.417,1190 1.434,1191 1.465,1192 1.404,1193 1.404,1194 1.7,1195 0.138,1196 3.662,1197 1.371,1198 3.999,1199 4.041,1200 3.922,1201 3.917,1202 7.428,1203 3.912,1204 3.936,1205 3.973,1206 3.865,1207 3.874,1208 6.469,1209 3.868,1210 3.91,1211 3.94,1212 3.862,1213 3.798,1214 4.763,1215 3.811,1216 3.759,1217 3.826,1218 3.61,1219 3.623,1220 4.731,1221 3.609,1222 3.747,1223 3.805,1224 3.606,1225 3.618,1226 4.616,1227 3.605,1228 3.611,1229 3.69,1230 3.465,1231 3.426,1232 4.352,1233 3.423,1234 3.576,1235 3.65,1236 3.415,1237 3.403,1238 4.278,1239 3.396,1240 3.401,1241 3.487,1242 3.234,1243 3.219,1244 4.25,1245 3.208,1246 0.095,1247 0.078,1248 0.136,1249 0.086,1250 0.065,1251 4.381,1252 0.084,1253 3.581,1254 0.02,1255 6.25,1256 0.204,1257 3.974,1258 0.064,1259 2.988,1260 3.846,1261 0.916,1262 9.366,1263 2.947,1264 1.942,1265 1.912,1266 2.077,1267 2.043,1268 1.382,1269 2.057,1270 1.942,1271 1.912,1272 2.077,1273 2.041,1274 1.379,1275 2.056,1276 1.856,1277 1.829,1278 2.022,1279 2.006,1280 1.242,1281 2.004,1282 1.772,1283 1.708,1284 2.01,1285 1.935,1286 1.239,1287 1.964,1288 1.743,1289 1.686,1290 1.912,1291 1.903,1292 1.107,1293 1.918,1294 1.598,1295 1.521,1296 1.863,1297 1.812,1298 1.093,1299 1.834,1300 1.574,1301 1.499,1302 1.834,1303 1.776,1304 0.992,1305 1.801,1306 1.408,1307 1.325,1308 1.719,1309 1.63,1310 0.956,1311 1.664,1312 4.533,1314 5.784,1316 7.219,1318 8.745,1320 10.32,1322 8.824,1327 10.485,1328 16.528,1329 3.247,1333 5.013,1340 57.212,1341 129.752,1342 313.342,1343 455.392,1344 513.101,1345 537.856,1346 553.366,1347 123,1348 7.803,1349 68.17,1350 68.17,1351 18,1352 12.491,1353 4.087,1354 3.459,1355 103.135,1356 358,1357 290,1358 0.132,1359 358.995,1360 642.26,1361 867.708,1362 37940,1364 31.572,1365 0.718,1366 0.631,1367 31.572,1368 27.784,1369 21.405,1370 0.465,1371 0.367,1372 16.768,1373 20.909,1374 16.208,1375 13.639,1376 21.405,1377 16.899,1378 17.7,1379 0.305,1380 0.208,1381 17.7,1382 12.065,1383 14.338,1384 0.205,1385 0.124,1386 14.338,1387 8.663,1388 10.669,1389 0.133,1390 0.07,1391 10.669,1392 5.615,1393 8.477,1394 0.09,1395 0.041,1396 8.477,1397 3.889,1398 0.226,1399 131.72,1400 0.181,1401 41.136,1402 0.319,1403 208,1404 471.153,1405 219.812,1406 466.08,1407 634.97,1408 438,1409 232,1410 454.695,1411 244.757,1412 468.184,1413 672.98,1414 440,1415 7.143}
{0 CHEMBL243310,1 1.409,2 12.968,3 5.003,4 25.027,5 122.082,6 7.42,7 0.529,8 4.116,9 4.213,10 3.687,11 3.678,12 5.237,13 3.66,14 4.634,15 4.79,16 4.017,17 4.044,18 5.716,19 4.015,20 4.808,21 4.954,22 4.121,23 4.209,24 5.874,25 4.15,26 4.99,27 5.206,28 4.086,29 4.215,30 5.992,31 4.133,32 4.956,33 5.148,34 4.034,35 4.196,36 6.005,37 4.114,38 4.955,39 5.178,40 3.942,41 4.164,42 5.948,43 4.055,44 4.875,45 5.106,46 3.832,47 4.075,48 5.868,49 3.957,50 4.703,51 4.909,52 3.768,53 3.961,54 5.724,55 3.865,56 0.001,57 0.709,58 11.145,59 5.438,60 7.661,61 6.673,62 0.326,63 1.166,64 21.555,65 8.555,66 29.774,67 10.638,68 0.187,69 1.376,70 24.614,71 11.006,72 24.02,73 13.898,74 0.351,75 1.623,76 33.031,77 12.867,78 43.699,79 17.054,80 0.431,81 1.544,82 31.56,83 12.294,84 50.246,85 15.605,86 0.367,87 1.543,88 32.208,89 12.806,90 51.195,91 17.015,92 0.503,93 1.417,94 30.336,95 11.796,96 55.56,97 15.807,98 0.166,99 1.202,100 24.242,101 10.048,102 35.992,103 13.143,104 21,105 47,106 0.23,107 0.528,108 0.688,109 0.791,110 0.828,111 0.853,112 3.472,113 0.89,114 -5.27,115 -5.16,116 -4.83,121 46.4,126 3,127 2,137 1,138 1,144 11,145 4,146 3,160 1,176 16,179 1,180 8,187 18,191 1,192 12,200 14,205 1,206 12,214 8,218 1,219 10,227 10,231 1,232 5,239 13,243 3,244 4,251 14,256 5,264 12,269 6,277 9,281 1685,282 21.204,283 21.204,284 21.204,285 21.204,286 21.204,287 18.769,288 23.428,289 12.53,290 21.738,291 16.702,292 16.702,293 16.702,294 16.702,295 16.702,296 12.855,297 30.414,298 5.835,299 17.356,300 4.398,301 2.57,302 1.591,303 0.96,304 0.732,305 0.576,306 4.169,311 1,312 1,313 866,314 3.391,318 377.88,322 141.32,325 2.035,326 24.584,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 66.5,338 402,339 4.514,340 3.73,341 6.558,342 4.129,343 3.153,344 4.169,345 1.674,346 10.42,347 3.08,348 4.258,349 3.234,350 6.276,351 3.866,352 2.893,353 3.856,354 0.995,355 9.486,356 2.808,357 3.955,358 3.049,359 5.842,360 3.64,361 2.675,362 3.457,363 0.86,364 8.029,365 2.588,366 3.881,367 2.757,368 5.58,369 3.484,370 2.508,371 3.349,372 0.86,373 7.608,374 2.451,375 3.628,376 2.699,377 5.369,378 3.281,379 2.316,380 2.951,381 0.359,382 6.985,383 2.214,384 3.326,385 2.461,386 4.989,387 2.989,388 2.023,389 2.498,391 5.692,392 1.941,393 3.181,394 2.225,395 4.749,396 2.816,397 1.866,398 2.349,400 5.23,401 1.761,402 3.034,403 2.081,404 4.57,405 2.64,406 1.671,407 2.193,409 4.662,410 1.609,411 2.805,412 1.67,413 4.132,414 2.384,415 1.399,416 1.893,418 3.413,419 1.376,420 2.686,421 1.492,422 3.576,423 2.241,424 1.294,425 1.727,427 2.986,428 1.222,429 2.551,430 1.291,431 3.503,432 2.088,433 1.129,434 1.5,436 2.566,437 1.07,438 2.5,439 1.062,440 3.353,441 2,442 1,443 1.5,445 2.136,446 1,447 2.006,448 1,449 3.247,450 1.564,451 0.62,452 0.815,454 1.387,455 0.576,456 1.494,457 0.926,458 2.872,459 1.23,460 0.383,461 0.413,463 0.527,464 0.321,465 1.253,466 0.766,467 2.845,468 0.973,474 14.733,475 0.475,476 0.691,477 0.022,478 42,479 1.355,480 22.5,481 0.726,482 19.5,483 0.629,484 24.129,485 0.778,486 32.667,487 0.583,488 33.927,489 1.094,490 8.839,491 0.285,492 6.228,493 0.201,494 0.124,496 0.333,501 0.788,502 1.223,503 0.767,504 1.103,505 0.637,506 0.96,507 1.149,508 0.79,509 0.879,510 0.753,511 0.69,512 0.755,513 0.822,514 1.266,515 0.988,516 1.222,517 0.736,518 1.149,519 0.88,520 1.023,521 0.889,522 0.982,523 0.854,524 0.94,525 1.205,526 1.059,527 1.112,528 1.047,529 1.309,530 1.061,531 0.849,532 1.008,533 0.968,534 1.02,535 1.01,536 1.015,537 0.808,538 0.862,539 0.953,540 0.897,541 1.064,542 0.943,543 0.896,544 1.106,545 0.973,546 1.103,547 1.235,548 1.063,549 6.5,550 0.161,551 2.889,552 2.188,553 2.022,554 1.028,555 0.807,556 0.439,557 0.291,558 0.244,559 13460,560 34309,561 2.084,562 44.6,564 25,572 1.736,573 1.958,574 3.656,575 -0.831,582 78.904,583 1.409,584 3.237,585 4.217,586 4.847,587 5.075,588 5.231,589 3.123,590 4.478,591 4.923,592 3.809,593 1771.31,594 8.595,595 25491.6,597 1,600 325.212,601 1.383,602 4.888,603 0.191,604 0.006,605 0.061,606 0.044,607 0.043,608 0.023,609 0.02,610 0.012,611 0.009,612 0.008,613 0.418,614 0.33,615 1,616 0.796,617 162.212,618 -0.001,619 -0.149,620 0.068,621 -0.085,622 -0.039,623 -0.013,624 -0.038,625 0.283,626 0.062,627 0.219,628 0.063,629 0.174,630 0.061,631 -0.246,632 -0.09,633 -0.219,634 0.031,635 -0.187,636 0.059,637 -0.024,638 0.093,639 -0.008,640 0.085,641 0.041,642 -0.064,643 -0.064,644 -0.129,645 -0.073,646 -0.092,647 -0.104,648 0.044,649 -0.037,650 0.012,651 -0.033,652 0.039,653 -0.018,654 0.111,655 0.107,656 0.041,657 0.087,658 0.046,659 0.055,660 -0.026,661 -0.135,662 -0.014,663 -0.108,664 -0.034,665 -0.068,666 2.047,667 5.713,668 0.71,669 34.306,670 1,671 1.113,672 4.045,673 16.361,674 0.678,675 3.555,676 3.871,677 4.143,678 4.419,679 4.673,680 4.745,681 4.89,682 5.05,683 5.124,684 5.147,685 7.44,686 0.646,687 415.52,688 3.555,689 5.094,690 5.943,691 6.821,692 7.688,693 8.572,694 9.446,695 10.334,696 11.213,697 12.104,698 1.8,701 1,715 11,720 7,722 18,739 2,741 56,743 20,744 3,745 34,747 59,748 26,749 18,750 7,751 11,752 3,756 4,757 5,772 21,773 5,777 2,782 1,784 1,786 2,793 25,794 5,796 5,802 1,808 0.75,809 4,829 4,833 1,846 1,849 1,850 1,855 1,859 3,864 3,868 31,876 2,878 3,881 1,893 7.1,896 1,898 3,901 15.833,902 11.117,903 6.944,904 3.108,907 3.714,908 1.469,909 0.98,910 6.402,911 11.629,912 3.829,913 4.413,914 4.985,915 5.548,916 6.115,917 6.342,918 6.731,919 7.138,920 7.471,921 7.744,922 0.889,923 50,924 11.443,926 4.778,927 0.026,929 7.677,931 21.9,933 17.597,936 2.177,937 67.5,940 1,941 294.278,942 186.938,943 3.124,945 58.145,948 186.938,949 352.422,950 3.124,951 30.162,952 4.211,953 113.715,954 32.336,955 67.782,957 294.278,959 294.278,960 190.063,961 58.145,964 294.278,965 58.145,968 7.336,969 173.251,970 9.476,972 294.278,973 61.269,974 186.938,977 294.278,978 43.061,979 147.002,981 58.145,982 294.278,983 61.269,984 186.938,986 0.574,987 0.341,988 0.191,989 0.106,990 22,991 10,992 0.119,993 7,994 1,995 1.091,996 4.229,997 278.285,998 0.091,999 22,1000 149.58,1005 21.165,1006 9.377,1007 4.816,1009 61.269,1010 21.87,1015 5.573,1018 542.485,1019 45,1024 12.713,1026 1.843,1028 0.141,1031 56.014,1032 62.318,1034 0.243,1035 0.557,1036 0.726,1037 0.835,1038 0.874,1039 0.901,1040 5.059,1041 1.671,1042 5.922,1043 5.23,1044 4.554,1045 5.1,1046 2.452,1047 6.723,1048 4.487,1049 6.261,1050 1.399,1051 7.471,1052 4.662,1053 4.111,1054 4.832,1055 0.325,1056 7.573,1057 4.017,1058 7.562,1059 1.294,1060 9.117,1061 3.413,1062 6.138,1063 7.26,1064 3.014,1065 10.669,1066 6.017,1067 8.897,1068 1.129,1069 10.82,1070 2.986,1071 6.494,1072 7.778,1073 0.504,1074 12.322,1075 6.342,1076 10.261,1077 1,1078 12.558,1079 2.566,1080 7.986,1081 9.684,1082 3.869,1083 14.928,1084 7.818,1085 11.646,1086 0.62,1087 14.32,1088 2.136,1089 8.726,1090 10.592,1091 0.585,1092 16.935,1093 8.526,1094 13.049,1095 0.383,1096 16.101,1097 1.387,1098 9.993,1099 12.256,1100 4.843,1101 19.36,1102 9.778,1103 3.153,1105 17.895,1106 0.527,1107 10.925,1108 13.377,1109 0.622,1110 21.533,1111 10.68,1112 2.893,1113 10.42,1114 19.7,1116 12.097,1117 14.917,1118 5.856,1119 23.889,1120 11.835,1121 2.675,1122 9.486,1123 21.514,1124 4.169,1125 13.125,1126 16.16,1127 0.639,1128 26.14,1129 12.835,1130 2.508,1131 8.029,1132 23.335,1133 3.856,1134 14.26,1135 17.635,1136 6.881,1137 28.472,1138 13.951,1139 2.316,1140 7.608,1141 25.162,1142 3.457,1143 15.335,1144 18.948,1145 0.646,1146 30.762,1147 15.001,1148 2.023,1149 6.985,1150 26.995,1151 3.349,1152 16.459,1153 20.39,1154 7.91,1155 33.087,1156 16.105,1157 1.866,1158 5.692,1159 28.833,1160 2.951,1161 17.559,1162 21.745,1163 0.648,1164 35.396,1165 17.181,1166 12840,1167 20696,1168 22.77,1169 37.96,1170 50.581,1171 51.949,1172 51.983,1173 49.799,1174 49.858,1175 65.34,1176 9.496,1177 142.251,1178 48.038,1179 5.409,1180 5.73,1181 6.36,1182 5.22,1183 5.153,1184 7.169,1185 3.349,1186 17.309,1187 5.08,1188 14.821,1189 1.488,1190 1.528,1191 1.529,1192 1.465,1193 1.466,1194 1.922,1195 0.279,1196 4.184,1197 1.413,1198 4.049,1199 4.063,1200 4.011,1201 3.977,1202 7.433,1203 3.981,1204 3.923,1205 3.952,1206 3.857,1207 3.851,1208 4.966,1209 3.847,1210 3.864,1211 3.885,1212 3.804,1213 3.8,1214 4.768,1215 3.8,1216 3.557,1217 3.608,1218 3.489,1219 3.39,1220 4.723,1221 3.406,1222 3.447,1223 3.481,1224 3.332,1225 3.251,1226 4.528,1227 3.26,1228 3.249,1229 3.314,1230 3.063,1231 2.953,1232 4.494,1233 2.965,1234 3.15,1235 3.214,1236 2.989,1237 2.925,1238 4.193,1239 2.926,1240 3.001,1241 3.067,1242 2.872,1243 2.876,1244 3.959,1245 2.86,1246 0.133,1247 0.11,1248 0.193,1249 0.121,1250 0.093,1251 4.514,1252 0.123,1253 3.73,1254 0.049,1255 6.558,1256 0.306,1257 4.129,1258 0.091,1259 3.153,1260 4.169,1261 1.674,1262 10.42,1263 3.08,1264 1.993,1265 1.98,1266 2.082,1267 2.081,1268 1.249,1269 2.079,1270 1.915,1271 1.886,1272 2.035,1273 2.015,1274 1.162,1275 2.021,1276 1.854,1277 1.836,1278 1.947,1279 1.945,1280 1.082,1281 1.95,1282 1.503,1283 1.457,1284 1.732,1285 1.721,1286 0.861,1287 1.728,1288 1.384,1289 1.34,1290 1.6,1291 1.613,1292 0.642,1293 1.601,1294 1.191,1295 1.116,1296 1.575,1297 1.524,1298 0.574,1299 1.539,1300 1.129,1301 1.056,1302 1.429,1303 1.367,1304 0.55,1305 1.388,1306 1.025,1307 0.962,1308 1.366,1309 1.224,1310 0.501,1311 1.279,1312 4.234,1314 5.549,1316 7.067,1318 8.679,1320 10.341,1322 5.222,1328 1.622,1330 16.272,1333 2.245,1340 36.202,1341 78.904,1342 181.278,1343 236.139,1344 271.437,1345 284.192,1346 292.947,1347 50.215,1348 7.915,1349 51.91,1350 51.91,1351 24,1352 12.635,1353 4.392,1354 3.585,1355 49.543,1356 137,1357 145,1358 0.174,1359 221.176,1360 393.34,1361 531.429,1362 32293,1364 21.794,1365 0.703,1366 0.578,1367 21.794,1368 17.923,1369 15.067,1370 0.443,1371 0.297,1372 9.927,1373 14.47,1374 9.564,1375 8.024,1376 15.067,1377 10.088,1378 13.314,1379 0.283,1380 0.161,1381 13.314,1382 7.551,1383 11.198,1384 0.181,1385 0.084,1386 11.198,1387 5.224,1388 9.609,1389 0.117,1390 0.046,1391 9.609,1392 3.748,1393 7.88,1394 0.074,1395 0.024,1396 7.88,1397 2.537,1398 0.277,1399 94.725,1400 0.21,1401 29.336,1402 0.468,1403 162,1404 482.587,1405 176.037,1406 459.201,1407 628.22,1408 432,1409 190,1410 456.761,1411 204.901,1412 469.194,1413 682.32,1414 435,1415 6.695}
{0 CHEMBL243311,1 1.376,2 12.793,3 5.019,4 25.191,5 115.619,6 7.413,7 0.563,8 4.039,9 4.138,10 3.613,11 3.635,12 5.15,13 3.608,14 4.552,15 4.705,16 3.946,17 4.006,18 5.636,19 3.965,20 4.754,21 4.913,22 4.009,23 4.158,24 5.784,25 4.083,26 4.909,27 5.14,28 3.946,29 4.132,30 5.884,31 4.031,32 4.818,33 5.022,34 3.896,35 4.087,36 5.846,37 3.995,38 4.819,39 5.044,40 3.819,41 4.049,42 5.829,43 3.94,44 4.705,45 4.924,46 3.672,47 3.975,48 5.683,49 3.847,50 4.603,51 4.829,52 3.605,53 3.862,54 5.566,55 3.744,56 0.013,57 0.649,58 10.208,59 4.973,60 6.934,61 6.214,62 0.265,63 1.088,64 19.29,65 7.927,66 25.789,67 10.046,68 0.101,69 1.303,70 23.368,71 10.486,72 21.299,73 13.436,74 0.339,75 1.521,76 30.739,77 12.094,78 42.006,79 16.262,80 0.219,81 1.377,82 27.123,83 10.993,84 38.993,85 14.291,86 0.356,87 1.36,88 28.149,89 11.23,90 48.896,91 14.851,92 0.317,93 1.227,94 24.609,95 10.121,96 40.103,97 13.497,98 0.138,99 1.103,100 22.127,101 9.318,102 32.115,103 12.495,104 11,105 44,106 0.228,107 0.522,108 0.691,109 0.813,110 0.853,111 0.875,112 3.408,113 0.896,114 -5.59,115 -5.46,116 -5.1,121 48.1,126 2,127 2,137 1,138 1,144 12,145 4,146 2,160 1,176 17,179 1,180 8,187 20,192 10,200 15,205 1,206 12,214 9,219 9,227 11,231 1,232 5,239 15,243 2,244 2,251 16,256 3,264 13,269 6,277 9,281 1412,282 19.834,283 19.834,284 19.834,285 19.834,286 19.834,287 17.399,288 20.509,289 11.814,290 20.203,291 15.787,292 15.787,293 15.787,294 15.787,295 15.787,296 12.038,297 27.125,298 5.608,299 16.271,300 4.325,301 2.545,302 1.525,303 0.789,304 0.544,305 0.414,306 4.107,311 1,312 1,313 806,314 3.162,318 348.86,322 130.649,325 2.007,326 20.433,329 0.75,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.84,337 61.5,338 371,339 4.481,340 3.727,341 6.542,342 4.105,343 3.123,344 4.092,345 1.674,346 10.342,347 3.067,348 4.164,349 3.051,350 6.097,351 3.772,352 2.794,353 3.778,354 0.995,355 8.923,356 2.73,357 3.939,358 3.006,359 5.585,360 3.617,361 2.646,362 3.456,363 0.86,364 7.661,365 2.575,366 3.825,367 2.754,368 5.376,369 3.43,370 2.439,371 3.252,372 0.359,373 7.035,374 2.414,375 3.496,376 2.582,377 5.217,378 3.141,379 2.199,380 2.786,382 6.478,383 2.062,384 3.325,385 2.456,386 4.982,387 2.987,388 2.021,389 2.495,391 5.65,392 1.938,393 3.13,394 2.094,395 4.641,396 2.778,397 1.817,398 2.259,400 4.978,401 1.733,402 2.939,403 1.756,404 4.449,405 2.5,406 1.521,407 2.088,409 4.299,410 1.48,411 2.775,412 1.497,413 3.67,414 2.368,415 1.378,416 1.859,418 2.995,419 1.36,420 2.65,421 1.318,422 3.565,423 2.178,424 1.179,425 1.702,427 2.658,428 1.176,429 2.5,430 1.133,431 3.466,432 2,433 1,434 1.5,436 2.212,437 1,438 2.449,439 1,440 3.247,441 1.859,442 0.876,443 1.29,445 2.136,446 0.854,447 1.693,448 0.927,449 2.949,450 1.377,451 0.492,452 0.564,454 0.818,455 0.429,456 1.297,457 0.735,458 2.857,459 0.973,465 1.217,466 0.286,467 2.681,468 0.893,469 -0.094,470 -0.121,472 -0.21,473 -0.091,474 13.9,475 0.479,476 0.639,477 0.022,478 40,479 1.379,480 22,481 0.759,482 18,483 0.621,484 21.259,485 0.733,486 29.9,487 0.575,488 30.725,489 1.059,490 8.339,491 0.288,492 5.779,493 0.199,494 0.096,496 0.317,501 0.755,502 1.163,503 0.768,504 1.042,505 0.616,506 0.928,507 1.029,508 0.842,509 0.893,510 0.813,511 0.613,512 0.816,513 0.897,514 1.26,515 1.034,516 1.22,517 0.752,518 1.16,519 0.852,520 0.977,521 0.891,522 0.939,523 0.855,524 0.919,525 1.106,526 1.079,527 1.035,528 1.06,529 1.296,530 1.039,531 0.971,532 0.931,533 0.97,534 0.939,535 1.069,536 0.952,537 0.845,538 0.957,539 1.069,540 1.003,541 1.28,542 1.06,543 0.773,544 1.063,545 0.94,546 1.064,547 1.126,548 1.034,549 6,550 0.116,551 2.444,552 1.875,553 1.711,554 0.938,555 0.624,556 0.349,557 0.245,558 0.218,559 11590,560 28623,561 2.111,562 44.2,564 23,572 1.717,573 2,574 3.628,575 -0.853,582 71.53,583 1.376,584 3.155,585 4.176,586 4.912,587 5.157,588 5.287,589 3.125,590 4.582,591 4.826,592 3.771,593 1530.89,594 8.395,595 21021.5,597 1,600 296.423,601 1.314,602 4.8,603 0.188,604 0.005,605 0.056,606 0.042,607 0.042,608 0.024,609 0.017,610 0.011,611 0.008,612 0.009,613 0.401,614 0.33,615 0.88,616 0.674,617 148.762,618 0.008,619 -0.119,620 0.065,621 -0.056,622 -0.041,623 -0.001,624 0.027,625 0.225,626 0.031,627 0.145,628 0.094,629 0.106,630 -0.034,631 -0.265,632 -0.128,633 -0.236,634 -0.005,635 -0.203,636 0.091,637 0.017,638 0.105,639 0.034,640 0.089,641 0.067,642 -0.073,643 -0.087,644 -0.058,645 -0.087,646 -0.06,647 -0.072,648 0.047,649 0.039,650 0.029,651 0.044,652 0.066,653 0.036,654 0.028,655 0.021,656 -0.099,657 -0.018,658 -0.113,659 -0.07,660 0.013,661 -0.103,662 0.028,663 -0.07,664 -0.036,665 -0.028,666 2.013,667 5.59,668 0.759,669 30.946,670 0.996,671 1.109,672 4.36,673 19.011,674 0.687,675 3.497,676 3.807,677 4.06,678 4.331,679 4.585,680 4.635,681 4.754,682 4.913,683 4.977,684 4.997,685 7.211,686 0.653,687 385.49,688 3.497,689 5.03,690 5.872,691 6.744,692 7.602,693 8.48,694 9.346,695 10.228,696 11.098,697 11.983,698 1.9,701 1,715 12,720 6,722 18,739 1,741 52,743 20,744 3,745 32,747 55,748 25,749 18,750 6,751 12,752 3,756 4,757 5,772 21,773 4,777 2,782 1,784 1,786 2,793 23,794 4,796 4,802 1,808 0.75,809 3,829 4,833 1,846 1,849 1,850 1,855 1,859 3,864 2,868 29,876 2,878 2,881 1,893 5.8,896 1,898 2,901 14.5,902 10.033,903 6.417,904 2.949,907 3.723,908 1.48,909 0.994,910 5.68,911 11.474,912 3.784,913 4.363,914 4.922,915 5.481,916 6.042,917 6.236,918 6.603,919 7.022,920 7.346,921 7.611,922 0.889,923 45,924 10.707,926 4.492,927 0.026,929 7.649,931 20.59,933 16.705,936 2.149,937 62.333,940 1,941 270.735,942 180.288,943 3.124,945 47.145,948 180.288,949 317.88,950 3.124,951 19.279,952 4.211,953 123.191,954 32.336,955 51.539,957 270.735,959 270.735,960 183.412,961 47.145,964 270.735,965 47.145,968 7.336,969 166.6,970 9.476,972 270.735,973 50.269,974 180.288,977 270.735,978 37.817,979 145.595,981 47.145,982 270.735,983 50.269,984 180.288,986 0.575,987 0.333,988 0.184,989 0.104,990 21,991 9,992 0.109,993 6,994 1,995 1.091,996 4.13,997 252.094,998 0.091,999 22,1000 136.881,1005 19.285,1006 8.541,1007 4.519,1009 50.269,1010 23.955,1015 5.342,1018 501.292,1019 43,1024 12.59,1026 1.882,1028 0.218,1031 51.803,1032 57.694,1034 0.241,1035 0.554,1036 0.733,1037 0.862,1038 0.905,1039 0.927,1040 5.007,1041 1.521,1042 5.844,1043 4.978,1044 4.489,1045 5.05,1046 2.316,1047 6.624,1048 4.435,1049 6.204,1050 1.378,1051 7.378,1052 4.299,1053 4.007,1054 4.718,1055 0.325,1056 7.424,1057 3.927,1058 7.497,1059 1.179,1060 9.009,1061 2.995,1062 6.052,1063 7.19,1064 2.958,1065 10.517,1066 5.953,1067 8.821,1068 1,1069 10.695,1070 2.658,1071 6.365,1072 7.639,1073 0.504,1074 12.133,1075 6.241,1076 10.175,1077 0.876,1078 12.418,1079 2.212,1080 7.874,1081 9.585,1082 3.852,1083 14.736,1084 7.737,1085 11.55,1086 0.492,1087 14.166,1088 2.136,1089 8.577,1090 10.43,1091 0.585,1092 16.723,1093 8.418,1094 12.942,1096 15.933,1097 0.818,1098 9.852,1099 12.122,1100 4.838,1101 19.144,1102 9.682,1103 3.123,1104 -0.094,1105 17.716,1107 10.757,1108 13.191,1109 0.622,1110 21.308,1111 10.566,1112 2.794,1113 10.342,1114 19.511,1115 -0.21,1116 11.93,1117 14.745,1118 5.855,1119 23.661,1120 11.726,1121 2.646,1122 8.923,1123 21.316,1124 4.092,1125 12.939,1126 15.945,1127 0.639,1128 25.908,1129 12.715,1130 2.439,1131 7.661,1132 23.13,1133 3.778,1134 14.071,1135 17.424,1136 6.881,1137 28.238,1138 13.833,1139 2.199,1140 7.035,1141 24.952,1142 3.456,1143 15.132,1144 18.701,1145 0.646,1146 30.526,1147 14.876,1148 2.021,1149 6.478,1150 26.78,1151 3.252,1152 16.25,1153 20.139,1154 7.91,1155 32.85,1156 15.979,1157 1.817,1158 5.65,1159 28.614,1160 2.786,1161 17.34,1162 21.463,1163 0.648,1164 35.158,1165 17.051,1166 10961,1167 17403,1168 21.671,1169 35.745,1170 47.795,1171 48.766,1172 48.284,1173 46.955,1174 46.968,1175 62.243,1176 7.776,1177 132.368,1178 45.634,1179 5.376,1180 5.727,1181 6.344,1182 5.195,1183 5.123,1184 7.092,1185 3.349,1186 17.201,1187 5.067,1188 12.238,1189 1.494,1190 1.524,1191 1.509,1192 1.467,1193 1.468,1194 1.945,1195 0.243,1196 4.136,1197 1.426,1198 4.045,1199 4.061,1200 4.003,1201 3.976,1202 7.433,1203 3.979,1204 3.921,1205 3.952,1206 3.852,1207 3.851,1208 4.922,1209 3.846,1210 3.859,1211 3.883,1212 3.797,1213 3.799,1214 4.765,1215 3.797,1216 3.546,1217 3.604,1218 3.467,1219 3.385,1220 4.717,1221 3.398,1222 3.434,1223 3.466,1224 3.325,1225 3.248,1226 4.51,1227 3.256,1228 3.19,1229 3.254,1230 3.023,1231 2.932,1232 4.194,1233 2.938,1234 3.005,1235 3.069,1236 2.888,1237 2.882,1238 4.068,1239 2.867,1240 2.96,1241 3.038,1242 2.822,1243 2.772,1244 3.932,1245 2.785,1246 0.14,1247 0.116,1248 0.204,1249 0.128,1250 0.098,1251 4.481,1252 0.128,1253 3.727,1254 0.052,1255 6.542,1256 0.323,1257 4.105,1258 0.096,1259 3.123,1260 4.092,1261 1.674,1262 10.342,1263 3.067,1264 1.995,1265 1.98,1266 2.084,1267 2.08,1268 1.249,1269 2.08,1270 1.915,1271 1.886,1272 2.038,1273 2.014,1274 1.161,1275 2.022,1276 1.857,1277 1.835,1278 1.962,1279 1.942,1280 1.081,1281 1.952,1282 1.502,1283 1.451,1284 1.733,1285 1.717,1286 0.861,1287 1.726,1288 1.378,1289 1.334,1290 1.594,1291 1.596,1292 0.637,1293 1.588,1294 1.154,1295 1.079,1296 1.468,1297 1.422,1298 0.559,1299 1.437,1300 1.027,1301 0.965,1302 1.368,1303 1.224,1304 0.503,1305 1.28,1306 0.979,1307 0.885,1308 1.315,1309 1.201,1310 0.458,1311 1.243,1312 4.174,1314 5.485,1316 6.995,1318 8.596,1320 10.245,1322 3.686,1328 1.657,1330 10.749,1333 2.254,1340 33.961,1341 71.53,1342 164.078,1343 217.139,1344 255.403,1345 268.158,1346 274.913,1347 43.214,1348 7.751,1349 42.68,1350 42.68,1351 24,1352 12.519,1353 4.392,1354 3.585,1355 44.86,1356 124,1357 128,1358 0.174,1359 207.587,1360 367.25,1361 498.272,1362 26806,1364 20.217,1365 0.697,1366 0.572,1367 20.217,1368 16.592,1369 14.119,1370 0.441,1371 0.299,1372 9.439,1373 13.67,1374 9.121,1375 7.637,1376 14.119,1377 9.559,1378 12.593,1379 0.286,1380 0.164,1381 12.593,1382 7.21,1383 10.431,1384 0.183,1385 0.086,1386 10.431,1387 4.929,1388 8.878,1389 0.118,1390 0.047,1391 8.878,1392 3.52,1393 7.317,1394 0.075,1395 0.025,1396 7.317,1397 2.384,1398 0.277,1399 87.917,1400 0.215,1401 27.845,1402 0.465,1403 152,1404 426.852,1405 163.159,1406 412.915,1407 567.21,1408 388,1409 177,1410 415.215,1411 188.468,1412 427.542,1413 620.64,1414 398,1415 5.64}
{0 CHEMBL243532,1 1.376,2 13.069,3 5.019,4 25.191,5 115.619,6 7.413,7 0.563,8 4.039,9 4.138,10 3.613,11 3.635,12 5.15,13 3.608,14 4.552,15 4.705,16 3.946,17 4.006,18 5.636,19 3.965,20 4.754,21 4.913,22 4.009,23 4.158,24 5.787,25 4.083,26 4.908,27 5.14,28 3.921,29 4.127,30 5.877,31 4.024,32 4.817,33 5.029,34 3.854,35 4.067,36 5.858,37 3.965,38 4.767,39 5.001,40 3.701,41 3.998,42 5.705,43 3.872,44 4.622,45 4.853,46 3.631,47 3.883,48 5.571,49 3.762,50 4.508,51 4.716,52 3.544,53 3.775,54 5.516,55 3.668,56 0.013,57 0.649,58 10.208,59 4.973,60 6.934,61 6.214,62 0.265,63 1.088,64 19.29,65 7.927,66 25.678,67 10.046,68 0.101,69 1.303,70 23.368,71 10.486,72 21.538,73 13.436,74 0.246,75 1.52,76 30.656,77 12.089,78 40.204,79 16.166,80 0.34,81 1.372,82 27.534,83 10.993,84 46.683,85 14.425,86 0.219,87 1.29,88 26.665,89 10.966,90 38.314,91 14.64,92 0.254,93 1.123,94 22.828,95 9.512,96 33.936,97 12.882,98 0.283,99 1.002,100 20.103,101 8.109,102 31.256,103 10.647,104 11,105 44,106 0.228,107 0.522,108 0.684,109 0.796,110 0.83,111 0.836,112 3.408,113 0.896,114 -5.59,115 -5.46,116 -5.1,121 48.1,126 2,127 2,137 1,138 1,144 12,145 4,146 2,160 1,176 17,179 1,180 8,187 19,192 12,200 15,206 11,214 9,218 1,219 9,227 11,232 4,239 14,243 1,244 3,251 15,255 2,256 3,264 12,269 2,277 8,281 1380,282 19.834,283 19.834,284 19.834,285 19.834,286 19.834,287 17.399,288 20.509,289 11.774,290 20.203,291 15.77,292 15.77,293 15.77,294 15.77,295 15.77,296 12.032,297 25.962,298 5.581,299 16.256,300 4.325,301 2.545,302 1.563,303 0.89,304 0.683,305 0.644,306 4.107,311 1,312 1,313 826,314 3.162,318 367.73,322 141.202,325 2.076,326 20.215,329 0.75,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.84,337 61.5,338 379,339 4.478,340 3.726,341 6.536,342 4.1,343 3.118,344 4.089,345 1.674,346 10.313,347 3.061,348 4.146,349 3.042,350 6.088,351 3.754,352 2.773,353 3.754,354 0.995,355 8.864,356 2.716,357 3.944,358 3,359 5.577,360 3.629,361 2.658,362 3.456,363 0.86,364 7.656,365 2.584,366 3.837,367 2.732,368 5.352,369 3.444,370 2.451,371 3.277,372 0.359,373 6.984,374 2.432,375 3.531,376 2.603,377 5.238,378 3.166,379 2.231,380 2.83,382 6.566,383 2.075,384 3.316,385 2.5,386 4.995,387 2.965,388 2.002,389 2.501,391 5.6,392 1.915,393 3.136,394 2.12,395 4.644,396 2.793,397 1.822,398 2.26,400 4.997,401 1.753,402 2.99,403 1.731,404 4.498,405 2.558,406 1.576,407 2.146,409 4.496,410 1.54,411 2.773,412 1.492,413 3.666,414 2.374,415 1.384,416 1.851,418 2.993,419 1.367,420 2.5,421 1.205,422 3.566,423 2,424 1,425 1.5,427 2.318,428 1,429 2.5,430 1.092,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.453,439 1,440 3.247,441 1.871,442 0.889,443 1.296,445 2.136,446 0.865,447 1.752,448 1,449 2.96,450 1.42,451 0.535,452 0.616,454 0.903,455 0.466,456 1.358,457 0.761,458 2.887,459 1.088,460 0.115,461 0.136,463 0.285,464 0.112,465 1.221,466 0.348,467 2.72,468 0.863,469 -0.111,470 -0.138,472 -0.25,473 -0.107,474 13.9,475 0.479,476 0.639,477 0.022,478 40,479 1.379,480 22,481 0.759,482 18,483 0.621,484 21.029,485 0.725,486 29.9,487 0.575,488 30.448,489 1.05,490 8.339,491 0.288,492 5.779,493 0.199,494 0.096,496 0.317,501 0.755,502 1.163,503 0.768,504 1.042,505 0.616,506 0.928,507 1.029,508 0.842,509 0.893,510 0.813,511 0.614,512 0.816,513 0.897,514 1.26,515 1.034,516 1.22,517 0.743,518 1.16,519 0.967,520 1.005,521 0.93,522 0.966,523 0.897,524 0.943,525 1.01,526 1.005,527 1.036,528 1.014,529 1.248,530 1.023,531 0.901,532 0.953,533 0.976,534 0.986,535 1.22,536 0.993,537 0.629,538 0.968,539 0.883,540 0.972,541 0.544,542 0.967,543 0.989,544 0.972,545 1.067,546 1.004,547 1.125,548 1.043,549 6,550 0.14,551 2.667,552 1.75,553 1.791,554 0.882,555 0.686,556 0.283,557 0.233,558 0.194,559 12114,560 29863,561 2.111,562 44.2,564 23,572 1.714,573 2,574 3.657,575 -0.853,582 71.53,583 1.376,584 3.155,585 4.137,586 4.811,587 5.018,588 5.056,589 3.095,590 4.349,591 4.827,592 3.83,593 1554.94,594 8.38,595 21821.4,597 1,600 296.423,601 1.314,602 4.8,603 0.188,604 0.007,605 0.061,606 0.039,607 0.045,608 0.024,609 0.021,610 0.009,611 0.009,612 0.009,613 0.411,614 0.33,615 0.88,616 0.674,617 149.905,618 0.008,619 -0.119,620 0.065,621 -0.056,622 -0.041,623 -0.001,624 0.027,625 0.225,626 0.031,627 0.145,628 0.093,629 0.106,630 -0.034,631 -0.265,632 -0.128,633 -0.236,634 0.005,635 -0.203,636 -0.025,637 -0.011,638 0.065,639 0.006,640 0.049,641 0.043,642 0.03,643 -0.015,644 -0.05,645 -0.041,646 -0.003,647 -0.051,648 -0.037,649 0.001,650 0.01,651 0.008,652 -0.091,653 0.014,654 0.151,655 -0.01,656 0.091,657 0.024,658 0.14,659 0.044,660 0.044,661 0.016,662 -0.086,663 -0.028,664 -0.053,665 -0.072,666 2.003,667 5.448,668 0.759,669 32.067,670 0.996,671 1.109,672 4.36,673 19.011,674 0.687,675 3.497,676 3.807,677 4.06,678 4.317,679 4.575,680 4.615,681 4.771,682 4.875,683 4.956,684 4.99,685 7.554,686 0.653,687 385.49,688 3.497,689 5.03,690 5.872,691 6.742,692 7.599,693 8.474,694 9.34,695 10.217,696 11.088,697 11.968,698 1.9,701 1,715 12,720 6,722 18,739 1,741 52,743 20,744 3,745 32,747 55,748 25,749 18,750 6,751 12,752 3,756 4,757 5,772 21,773 4,777 2,782 1,784 1,786 2,793 23,794 4,796 4,802 1,808 0.75,809 3,829 4,833 1,846 1,849 1,850 1,855 1,859 3,864 2,868 29,876 2,878 2,881 1,893 5.8,896 1,898 2,901 14.5,902 10.033,903 6.417,904 2.949,907 3.659,908 1.472,909 0.994,910 5.68,911 11.41,912 3.784,913 4.363,914 4.922,915 5.472,916 6.042,917 6.23,918 6.628,919 6.993,920 7.336,921 7.618,922 0.889,923 45,924 10.703,926 4.488,927 0.026,929 7.649,931 20.59,933 16.705,936 2.149,937 62.333,940 1,941 270.735,942 180.288,943 3.124,945 47.145,948 180.288,949 317.88,950 3.124,951 19.279,952 4.211,953 123.191,954 32.336,955 51.539,957 270.735,959 270.735,960 183.412,961 47.145,964 270.735,965 47.145,968 7.336,969 166.6,970 9.476,972 270.735,973 50.269,974 180.288,977 270.735,978 37.817,979 145.595,981 47.145,982 270.735,983 50.269,984 180.288,986 0.576,987 0.334,988 0.181,989 0.102,990 21,991 9,992 0.109,993 6,994 1,995 1.091,996 4.174,997 249.216,998 0.091,999 22,1000 132.881,1005 19.285,1006 8.541,1007 4.519,1009 50.269,1010 23.894,1015 5.45,1018 501.292,1019 43,1024 12.448,1026 1.861,1028 0.214,1031 51.803,1032 57.694,1034 0.241,1035 0.554,1036 0.726,1037 0.844,1038 0.88,1039 0.887,1040 5.007,1041 1.576,1042 5.844,1043 4.997,1044 4.489,1045 5.05,1046 2.316,1047 6.621,1048 4.435,1049 6.204,1050 1.384,1051 7.378,1052 4.496,1053 4.007,1054 4.718,1055 0.325,1056 7.424,1057 3.927,1058 7.497,1059 1,1060 9.008,1061 2.993,1062 6.052,1063 7.19,1064 2.958,1065 10.506,1066 5.953,1067 8.821,1068 1,1069 10.694,1070 2.318,1071 6.365,1072 7.639,1073 0.504,1074 12.123,1075 6.241,1076 10.175,1077 0.889,1078 12.415,1079 2.275,1080 7.871,1081 9.583,1082 3.852,1083 14.716,1084 7.735,1085 11.549,1086 0.535,1087 14.162,1088 2.136,1089 8.571,1090 10.424,1091 0.585,1092 16.702,1093 8.413,1094 12.941,1095 0.115,1096 15.928,1097 0.903,1098 9.845,1099 12.116,1100 4.838,1101 19.117,1102 9.675,1103 3.118,1104 -0.111,1105 17.709,1106 0.285,1107 10.746,1108 13.178,1109 0.622,1110 21.279,1111 10.555,1112 2.773,1113 10.313,1114 19.503,1115 -0.25,1116 11.917,1117 14.733,1118 5.855,1119 23.627,1120 11.713,1121 2.658,1122 8.864,1123 21.306,1124 4.089,1125 12.922,1126 15.927,1127 0.639,1128 25.873,1129 12.698,1130 2.451,1131 7.656,1132 23.119,1133 3.754,1134 14.052,1135 17.405,1136 6.881,1137 28.199,1138 13.813,1139 2.231,1140 6.984,1141 24.939,1142 3.456,1143 15.11,1144 18.679,1145 0.646,1146 30.484,1147 14.853,1148 2.002,1149 6.566,1150 26.766,1151 3.277,1152 16.226,1153 20.116,1154 7.91,1155 32.806,1156 15.953,1157 1.822,1158 5.6,1159 28.598,1160 2.83,1161 17.313,1162 21.437,1163 0.648,1164 35.111,1165 17.022,1166 11419,1167 18113,1168 21.671,1169 35.745,1170 47.805,1171 48.831,1172 48.332,1173 47.11,1174 47.111,1175 62.422,1176 7.776,1177 132.77,1178 45.774,1179 5.369,1180 5.726,1181 6.338,1182 5.19,1183 5.118,1184 7.089,1185 3.349,1186 17.154,1187 5.061,1188 12.323,1189 1.494,1190 1.526,1191 1.51,1192 1.472,1193 1.472,1194 1.951,1195 0.243,1196 4.149,1197 1.43,1198 4.044,1199 4.06,1200 4.002,1201 3.975,1202 7.433,1203 3.978,1204 3.922,1205 3.953,1206 3.853,1207 3.852,1208 4.921,1209 3.847,1210 3.859,1211 3.883,1212 3.796,1213 3.8,1214 4.764,1215 3.797,1216 3.555,1217 3.61,1218 3.477,1219 3.401,1220 4.716,1221 3.412,1222 3.421,1223 3.455,1224 3.314,1225 3.227,1226 4.526,1227 3.236,1228 3.195,1229 3.262,1230 3.022,1231 2.946,1232 4.197,1233 2.953,1234 2.99,1235 3.058,1236 2.892,1237 2.848,1238 3.991,1239 2.83,1240 2.958,1241 3,1242 2.801,1243 2.76,1244 3.946,1245 2.773,1246 0.14,1247 0.116,1248 0.204,1249 0.128,1250 0.097,1251 4.478,1252 0.128,1253 3.726,1254 0.052,1255 6.536,1256 0.322,1257 4.1,1258 0.096,1259 3.118,1260 4.089,1261 1.674,1262 10.313,1263 3.061,1264 1.994,1265 1.979,1266 2.084,1267 2.079,1268 1.245,1269 2.079,1270 1.916,1271 1.887,1272 2.038,1273 2.015,1274 1.162,1275 2.023,1276 1.857,1277 1.836,1278 1.963,1279 1.942,1280 1.082,1281 1.952,1282 1.512,1283 1.465,1284 1.734,1285 1.72,1286 0.867,1287 1.729,1288 1.362,1289 1.315,1290 1.588,1291 1.589,1292 0.644,1293 1.58,1294 1.165,1295 1.09,1296 1.485,1297 1.426,1298 0.565,1299 1.447,1300 1.009,1301 0.937,1302 1.363,1303 1.222,1304 0.501,1305 1.277,1306 0.932,1307 0.853,1308 1.259,1309 1.163,1310 0.414,1311 1.19,1312 4.174,1314 5.485,1316 6.995,1318 8.594,1320 10.241,1322 3.723,1328 1.72,1330 10.757,1333 2.265,1340 33.961,1341 71.53,1342 164.078,1343 215.139,1344 250.158,1345 260.913,1346 262.913,1347 43.03,1348 7.751,1349 42.68,1350 42.68,1351 24,1352 12.506,1353 4.392,1354 3.585,1355 45.017,1356 132,1357 130,1358 0.165,1359 207.587,1360 367.25,1361 498.272,1362 26806,1364 20.217,1365 0.697,1366 0.572,1367 20.217,1368 16.592,1369 14.119,1370 0.441,1371 0.299,1372 9.439,1373 13.67,1374 9.121,1375 7.635,1376 14.119,1377 9.559,1378 12.581,1379 0.286,1380 0.164,1381 12.581,1382 7.206,1383 10.499,1384 0.184,1385 0.087,1386 10.499,1387 4.952,1388 8.794,1389 0.119,1390 0.047,1391 8.794,1392 3.482,1393 7.32,1394 0.076,1395 0.025,1396 7.32,1397 2.377,1398 0.266,1399 87.917,1400 0.215,1401 28.061,1402 0.435,1403 152,1404 426.852,1405 163.159,1406 412.85,1407 567.19,1408 388,1409 177,1410 415.215,1411 188.468,1412 427.406,1413 620.37,1414 398,1415 6.788}
{0 CHEMBL24416,1 1.404,2 12.029,3 1.244,4 1.548,5 128.251,6 7.233,7 0.154,8 4.313,9 4.403,10 3.838,11 3.819,12 5.413,13 3.808,14 4.919,15 5.058,16 4.324,17 4.31,18 5.964,19 4.289,20 5.321,21 5.465,22 4.597,23 4.627,24 6.399,25 4.59,26 5.634,27 5.83,28 4.658,29 4.762,30 6.801,31 4.684,32 5.692,33 5.927,34 4.518,35 4.715,36 6.747,37 4.609,38 5.581,39 5.824,40 4.429,41 4.504,42 6.734,43 4.43,44 5.298,45 5.481,46 4.258,47 4.252,48 6.668,49 4.218,50 5.027,51 5.223,52 3.989,53 4.074,54 6.223,55 4.014,56 0.131,57 0.87,58 14.736,59 7.228,60 26.998,61 8.627,62 0.437,63 1.514,64 29.145,65 12.656,66 70.236,67 15.701,68 0.66,69 2.197,70 44.301,71 18.355,72 101.619,73 22.914,74 1.581,75 2.787,76 65.429,77 23.556,78 236.299,79 31.058,80 1.34,81 2.854,82 71.593,83 24.327,84 225.133,85 33.146,86 1.655,87 2.402,88 66.706,89 20.246,90 248.599,91 27.549,92 1.821,93 1.773,94 49.93,95 14.483,96 252.717,97 18.168,98 0.982,99 1.434,100 36.798,101 11.937,102 121.464,103 15.378,104 86,105 63,106 0.223,107 0.588,108 0.79,109 0.863,110 0.882,111 0.882,112 3.59,113 0.925,114 -3.37,115 -3.36,116 -3.21,121 40.3,122 3,123 3,124 2,125 2,126 1,127 1,129 2,132 1,137 1,138 1,140 2,144 4,145 1,146 1,158 1,160 1,176 12,179 1,180 12,185 4,187 20,192 7,195 1,197 8,200 19,205 5,206 16,210 1,211 7,214 16,219 11,222 1,224 10,227 9,231 1,232 16,236 2,237 1,239 9,244 8,247 6,249 5,251 8,255 2,256 5,261 2,264 12,272 4,274 4,277 12,281 1842,282 22.871,283 22.871,284 22.871,285 22.871,286 22.871,287 21.534,288 24.648,289 12.269,290 23.295,291 18.936,292 18.936,293 18.936,294 18.936,295 18.936,296 16.689,297 30.008,298 5.509,299 19.573,300 4.662,301 2.368,302 1.098,303 0.642,304 0.523,305 0.523,306 4.284,312 1,313 915,314 4.062,318 344.859,322 309.506,325 1.976,326 68.012,329 1,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.98,337 78,338 421,339 4.943,340 4.162,341 8.34,342 4.903,343 3.915,344 4.15,345 1.674,346 16.653,347 3.871,348 4.591,349 3.765,350 7.829,351 4.482,352 3.506,353 3.856,354 1.277,355 14.37,356 3.421,357 4.356,358 3.609,359 7.197,360 4.055,361 3.078,362 3.693,363 0.86,364 11.79,365 3.003,366 4.122,367 3.359,368 6.739,369 3.946,370 2.97,371 3.407,372 0.86,373 10.837,374 2.884,375 3.98,376 3.029,377 6.144,378 3.741,379 2.752,380 3.078,382 9.007,383 2.715,384 3.728,385 2.954,386 5.839,387 3.326,388 2.381,389 2.983,391 7.004,392 2.244,393 3.312,394 2.743,395 5.308,396 3.039,397 2.048,398 2.427,400 6.703,401 2.017,402 3.269,403 2.535,404 5.24,405 2.91,406 1.959,407 2.354,409 5.935,410 1.848,411 2.933,412 2.16,413 5.074,414 2.805,415 1.826,416 1.945,418 5.246,419 1.768,420 2.84,421 1.934,422 4.767,423 2.527,424 1.571,425 1.848,427 4.455,428 1.489,429 2.613,430 1.748,431 4.384,432 2.297,433 1.338,434 1.6,436 3.857,437 1.266,438 2.5,439 1.254,440 4.231,441 2,442 1,443 1.5,445 2.275,446 1,447 1.794,448 1.133,449 3.91,450 1.71,451 0.786,452 0.788,454 2.044,455 0.717,456 1.668,457 1.052,458 3.437,459 1.422,460 0.512,461 0.566,463 1.148,464 0.452,465 1.535,466 1,467 3.414,468 1.358,469 0.43,470 0.447,472 0.777,473 0.4,474 16.167,475 0.462,476 1.354,477 0.039,478 34.75,479 0.993,480 12.5,481 0.357,482 22.25,483 0.636,484 47.728,485 1.364,486 40.233,487 0.6,488 31.779,489 0.908,490 6.204,491 0.177,492 10.286,493 0.294,494 0.227,495 0.093,496 0.34,501 0.837,502 1.155,503 0.82,504 1.13,505 0.799,506 0.997,507 0.816,508 0.994,509 0.751,510 0.972,511 0.676,512 0.866,513 0.942,514 1.206,515 0.966,516 1.192,517 0.812,518 1.102,519 0.875,520 1.091,521 1.003,522 1.096,523 0.923,524 1.083,525 0.95,526 1.041,527 0.986,528 1.04,529 1.077,530 1.025,531 1.145,532 0.834,533 0.907,534 0.82,535 1.289,536 0.807,537 1.588,538 0.853,539 1.234,540 0.849,541 1.62,542 0.937,543 1.309,544 0.96,545 1.13,546 0.957,547 1.385,548 0.993,549 11,550 0.26,551 7.333,552 5.313,553 4.738,554 2.687,555 1.44,556 0.915,557 0.579,558 0.335,559 15425,560 41520,561 2.017,562 47.8,563 9,564 12,567 3,568 1,569 7,572 1.771,573 1.803,574 3.454,575 0.792,582 94.046,583 1.404,584 3.698,585 4.968,586 5.424,587 5.543,588 5.543,589 3.109,590 4.786,591 5.093,592 3.628,593 2158.92,594 8.97,595 30551,600 406.428,601 1.862,602 4.999,603 0.282,604 0.011,605 0.116,606 0.067,607 0.061,608 0.041,609 0.024,610 0.019,611 0.015,612 0.01,613 0.646,614 0.5,615 0.75,616 0.886,617 183.637,618 -0.078,619 0.049,620 0.028,621 0.056,622 -0.104,623 0.066,625 0.131,626 0.145,627 0.144,628 0.012,629 0.174,630 -0.055,631 -0.107,632 -0.051,633 -0.103,634 -0.023,635 -0.08,636 0.077,637 -0.081,638 -0.036,639 -0.087,640 0.066,641 -0.089,642 -0.046,643 -0.081,644 -0.002,645 -0.072,646 -0.051,647 -0.034,648 -0.024,649 0.08,650 0.135,651 0.097,652 -0.046,653 0.146,654 -0.074,655 0.088,656 -0.146,657 0.066,658 -0.031,659 -0.038,660 -0.108,661 0.012,662 -0.107,663 0.004,664 -0.137,665 -0.042,666 2.529,667 7.002,668 0.686,669 36.047,670 1.011,671 1.124,672 2.142,673 4.589,674 0.639,675 3.689,676 4.159,677 4.554,678 4.898,679 5.22,680 5.472,681 5.652,682 5.861,683 6.071,684 6.221,685 6.641,686 0.614,687 484.59,688 3.689,689 5.323,690 6.252,691 7.217,692 8.167,693 9.141,694 10.1,695 11.08,696 12.043,697 13.028,715 4,720 2,722 6,739 1,741 67,743 10,744 1,745 39,747 71,748 27,749 6,750 2,751 4,752 6,756 5,757 11,763 4,764 2,766 2,767 5,768 3,770 5,772 12,773 15,774 3,777 4,782 2,784 1,786 5,793 32,794 8,795 3,796 8,808 0.4,809 8,810 1,811 2,829 5,833 3,841 1,846 1,849 3,850 1,857 3,858 1,859 2,864 4,868 35,875 3,876 4,878 3,880 4,882 3,893 11.9,894 3,896 2,897 1,898 2,901 19.417,902 12.933,903 7.431,904 3.997,907 1.742,908 1.196,909 0.865,910 5.721,911 10.64,912 3.85,913 4.437,914 4.978,915 5.484,916 5.951,917 6.3,918 6.623,919 6.971,920 7.333,921 7.686,922 1,923 79,924 13.354,926 6.394,927 0.026,929 7.993,931 24.784,933 22.289,936 2.493,937 87.25,941 341.362,942 126.77,945 211.34,948 126.77,949 552.702,951 37.359,952 7.604,953 175.431,954 84.101,955 33.614,957 341.362,959 341.362,960 126.77,961 211.34,964 258.964,965 154.687,966 139.05,968 34.079,969 72.727,970 19.963,972 341.362,973 211.34,974 126.77,977 341.362,978 42.03,979 84.74,981 211.34,982 341.362,983 211.34,984 126.77,986 0.617,987 0.397,988 0.211,989 0.115,990 35,991 17,992 0.042,993 3,994 3,995 1.25,996 4.064,997 382.902,998 0.25,999 24,1000 175.525,1005 24.51,1006 8.17,1007 3.356,1009 211.34,1010 6.949,1015 1.265,1017 128.05,1018 679.471,1019 46,1024 27.119,1026 1.529,1028 -1.032,1031 67.756,1032 75.318,1034 0.231,1035 0.61,1036 0.819,1037 0.894,1038 0.914,1039 0.914,1040 5.223,1041 1.959,1042 6.361,1043 6.703,1044 4.844,1045 5.124,1046 2.552,1047 7.402,1048 4.787,1049 6.485,1050 1.826,1051 8.085,1052 5.935,1053 4.934,1054 5.215,1056 9.018,1057 4.87,1058 7.876,1059 1.571,1060 9.928,1061 5.246,1062 6.746,1063 7.266,1064 3.188,1065 12.189,1066 6.655,1067 9.298,1068 1.338,1069 11.843,1070 4.455,1071 7.606,1072 8.071,1074 14.577,1075 7.508,1076 10.752,1077 1,1078 13.805,1079 3.857,1080 9.027,1081 9.71,1082 4.014,1083 17.43,1084 8.912,1085 12.227,1086 0.786,1087 15.799,1088 2.275,1089 10.175,1090 10.807,1092 20.073,1093 10.051,1094 13.72,1095 0.512,1096 17.816,1097 2.044,1098 11.503,1099 12.302,1100 4.941,1101 22.862,1102 11.366,1103 3.915,1104 0.43,1105 19.851,1106 1.148,1107 12.76,1108 13.535,1110 25.594,1111 12.613,1112 3.506,1113 16.653,1114 21.899,1115 0.777,1116 14.075,1117 14.971,1118 5.917,1119 28.375,1120 13.917,1121 3.078,1122 14.37,1123 23.957,1124 4.15,1125 15.376,1126 16.274,1128 31.143,1129 15.209,1130 2.97,1131 11.79,1132 26.023,1133 3.856,1134 16.698,1135 17.686,1136 6.918,1137 33.929,1138 16.521,1139 2.752,1140 10.837,1141 28.096,1142 3.693,1143 18.02,1144 19.028,1146 36.713,1147 17.834,1148 2.381,1149 9.007,1150 30.175,1151 3.407,1152 19.352,1153 20.43,1154 7.932,1155 39.506,1156 19.156,1157 2.048,1158 7.004,1159 32.258,1160 3.078,1161 20.686,1162 21.796,1164 42.299,1165 20.481,1166 14784,1167 24366,1168 24.561,1169 42.818,1170 61.45,1171 64.675,1172 67.072,1173 60.519,1174 60.647,1175 69.798,1176 9.344,1177 205.161,1178 58.65,1179 5.943,1180 6.162,1181 7.891,1182 6.005,1183 5.915,1184 7.15,1185 3.349,1186 26.176,1187 5.871,1188 22.816,1189 1.576,1190 1.658,1191 1.72,1192 1.552,1193 1.555,1194 1.79,1195 0.24,1196 5.261,1197 1.504,1198 4.109,1199 4.128,1200 4.053,1201 4.014,1202 7.445,1203 4.018,1204 3.942,1205 3.959,1206 3.885,1207 3.869,1208 7.413,1209 3.869,1210 3.805,1211 3.819,1212 3.748,1213 3.684,1214 6.466,1215 3.698,1216 3.599,1217 3.622,1218 3.514,1219 3.456,1220 6.448,1221 3.463,1222 3.452,1223 3.512,1224 3.306,1225 3.301,1226 6.439,1227 3.291,1228 3.294,1229 3.336,1230 3.184,1231 3.097,1232 4.908,1233 3.111,1234 3.242,1235 3.312,1236 3.064,1237 3.055,1238 4.737,1239 3.042,1240 3.182,1241 3.243,1242 3.026,1243 2.937,1244 4.478,1245 2.937,1246 0.127,1247 0.107,1248 0.214,1249 0.126,1250 0.1,1251 4.943,1252 0.106,1253 4.162,1254 0.043,1255 8.34,1256 0.427,1257 4.903,1258 0.099,1259 3.915,1260 4.15,1261 1.674,1262 16.653,1263 3.871,1264 2.046,1265 2.024,1266 2.179,1267 2.16,1268 1.637,1269 2.165,1270 1.922,1271 1.906,1272 2.016,1273 2.021,1274 1.224,1275 2.017,1276 1.756,1277 1.741,1278 1.894,1279 1.908,1280 1.111,1281 1.901,1282 1.554,1283 1.528,1284 1.736,1285 1.734,1286 1.039,1287 1.721,1288 1.455,1289 1.396,1290 1.699,1291 1.653,1292 0.854,1293 1.682,1294 1.249,1295 1.191,1296 1.587,1297 1.512,1298 0.782,1299 1.529,1300 1.228,1301 1.17,1302 1.563,1303 1.481,1304 0.699,1305 1.515,1306 1.153,1307 1.078,1308 1.509,1309 1.418,1310 0.572,1311 1.445,1312 4.369,1314 5.802,1316 7.459,1318 9.223,1320 11.049,1322 7.021,1327 32.298,1328 0.884,1330 17.089,1332 -2.998,1334 -2.877,1340 41.147,1341 94.046,1342 247.76,1343 332.879,1344 363.408,1345 371.408,1346 371.408,1347 117.323,1348 8.898,1349 126.43,1350 126.43,1351 30,1352 13.499,1353 3.459,1354 3,1355 52.103,1356 142,1357 187,1358 0.191,1359 244.275,1360 454.8,1361 587.791,1362 90778,1364 25.336,1365 0.724,1366 0.583,1367 25.336,1368 20.407,1369 16.49,1370 0.423,1371 0.308,1372 11.839,1373 15.762,1374 11.442,1375 9.368,1376 16.49,1377 12.021,1378 16.276,1379 0.258,1380 0.174,1381 16.276,1382 10.977,1383 15.183,1384 0.162,1385 0.097,1386 15.183,1387 9.132,1388 12.994,1389 0.098,1390 0.053,1391 12.994,1392 7.081,1393 10.539,1394 0.057,1395 0.028,1396 10.539,1397 5.209,1398 0.292,1399 104.651,1400 0.202,1401 31.219,1402 0.555,1403 204,1404 599.127,1405 226.033,1406 553.947,1407 743.77,1408 516,1409 259,1410 534.424,1411 282.034,1412 535.62,1413 804.6,1414 502,1415 4.155}
{0 CHEMBL244213,1 1.574,2 8.333,3 3.135,4 9.825,5 63.029,6 8.866,7 0.632,8 3.443,9 3.522,10 3.122,11 3.051,12 4.792,13 3.058,14 3.897,15 3.997,16 3.477,17 3.384,18 5.326,19 3.389,20 4.193,21 4.348,22 3.552,23 3.437,24 5.76,25 3.44,26 4.147,27 4.318,28 3.328,29 3.268,30 5.616,31 3.262,32 4.005,33 4.186,34 3.194,35 3.131,36 5.4,37 3.124,38 3.854,39 4.026,40 3.136,41 3.026,42 5.554,43 3.006,44 3.685,45 3.889,46 2.897,47 2.863,48 5.378,49 2.8,50 3.421,51 3.669,52 2.528,53 2.495,54 4.762,55 2.44,56 0.125,57 0.473,58 3.711,59 2.744,60 26.931,61 2.67,62 0.211,63 0.752,64 6.382,65 4.365,66 41.174,67 4.319,68 0.533,69 0.956,70 12.214,71 5.802,72 100.636,73 5.833,74 0.544,75 0.792,76 13.027,77 5.383,78 103.718,79 5.302,80 0.457,81 0.602,82 12.016,83 4.613,84 93.939,85 4.917,86 0.56,87 0.62,88 9.854,89 4.029,90 112.681,91 4.268,92 0.47,93 0.584,94 8.575,95 3.61,96 88.707,97 4.174,98 0.212,99 0.487,100 7.187,101 2.88,102 35.622,103 3.505,104 17,105 26,106 0.305,107 0.571,108 0.654,109 0.764,110 0.806,111 0.819,112 2.96,113 0.838,114 -4.72,115 -4.64,116 -4.36,121 50,129 1,144 8,145 2,146 2,159 1,176 8,180 1,185 1,187 8,192 3,195 1,197 3,200 5,206 4,211 4,214 4,219 2,224 2,227 8,239 8,251 4,281 360,282 11.776,283 11.776,284 11.776,285 11.776,286 11.776,287 10.181,288 9.63,289 6.868,290 11.902,291 9.301,292 9.301,293 9.301,294 9.301,295 9.301,296 6.939,297 7.867,298 3.247,299 9.554,300 3.233,301 1.857,302 1.429,303 0.857,304 0.643,305 0.571,306 3.609,311 1,312 1,313 310,314 2.828,318 125.198,325 1.259,326 36.251,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 41,338 150,339 4.324,340 3.831,341 6.527,342 4.046,343 3.045,344 3.841,345 1.848,346 10.029,347 3.045,348 4.014,349 2.968,350 5.723,351 3.588,352 2.607,353 3.621,354 0.443,355 7.669,356 2.557,357 3.714,358 2.884,359 5.078,360 3.285,361 2.338,362 3.098,364 6.147,365 2.196,366 3.426,367 2.693,368 4.967,369 3.032,370 2.083,371 2.718,373 5.807,374 1.95,375 2.841,376 1.967,377 4.414,378 2.396,379 1.414,380 1.914,382 3.932,383 1.372,384 2.5,385 1.519,386 3.414,387 2,388 1,389 1.5,391 2.275,392 1,393 2.5,394 1,395 3.414,396 2,397 1,398 1.5,400 2.275,401 1,402 1.966,403 1,404 3.27,405 1.549,406 0.565,407 0.725,409 1.3,410 0.54,411 1.114,412 0.443,413 2.321,414 0.679,415 -0.24,416 -0.296,418 -0.516,419 -0.21,420 1.019,421 0.383,422 2,423 0.608,424 -0.309,425 -0.391,427 -0.648,428 -0.272,429 0.5,430 -0.284,431 2,433 -1,434 -1.364,436 -2.902,437 -1,438 0.5,439 -0.668,440 1.795,442 -1,443 -1.5,445 -2.982,446 -1,447 0.084,448 -0.948,449 1.586,450 -0.253,451 -1.209,452 -1.5,454 -3,455 -1.057,456 -0.044,457 -1,458 1.396,459 -0.364,460 -1.233,461 -1.547,463 -3,464 -1.12,465 -0.151,466 -1,467 1.224,468 -0.485,469 -1.414,470 -1.779,472 -3.564,473 -1.366,474 8.238,475 0.458,476 0.511,477 0.028,478 24,479 1.333,480 13.5,481 0.75,482 10.5,483 0.583,484 10.478,485 0.582,486 19.362,487 0.691,488 17.296,489 0.961,490 5.177,491 0.288,492 3.398,493 0.189,494 0.15,496 0.364,499 2,501 0.599,502 0.761,503 0.632,504 0.862,505 0.632,506 0.808,507 0.687,508 0.978,509 0.768,510 1.129,511 0.682,512 1.05,513 0.972,514 1.01,515 1.007,516 1.091,517 0.957,518 1.071,519 1.167,520 0.85,521 1.188,522 1.054,523 1.183,524 1.1,525 0.969,526 0.607,527 0.948,528 0.838,529 1.02,530 0.877,531 0.787,532 0.821,533 0.977,534 0.902,535 0.829,536 0.997,537 0.599,538 0.994,539 0.968,540 1.017,541 0.602,542 1.125,543 0.839,544 1.296,545 0.863,546 1.119,547 0.78,548 1.051,549 4,550 0.041,551 2.667,552 1.25,553 1.084,554 0.583,555 0.242,556 0.174,557 0.131,558 0.04,559 2639,560 10976,561 1.963,562 35.7,564 9,567 1,572 1.586,573 1.8,574 3.069,575 -0.28,577 1,579 1,582 44.084,583 1.574,584 2.95,585 3.379,586 3.95,587 4.164,588 4.236,589 2.503,590 2.725,591 4.141,592 3.132,593 479.12,594 7.023,595 4487.56,597 1,599 1,600 134.606,601 1.53,602 4.076,603 0.211,604 0.021,605 0.103,606 0.048,607 0.054,608 0.032,609 0.015,610 0.014,611 0.016,612 0.008,613 0.522,614 0.83,615 1,616 0.714,617 76.371,618 -0.045,619 0.049,620 -0.019,621 0.095,622 -0.084,623 0.066,624 -0.042,625 -0.137,626 -0.075,627 -0.178,628 -0.036,629 -0.16,630 -0.055,631 -0.075,632 -0.096,633 -0.135,634 -0.025,635 -0.131,636 -0.204,637 -0.042,638 -0.206,639 -0.118,640 -0.189,641 -0.142,642 -0.141,643 -0.036,644 0.049,645 0.081,646 -0.151,647 0.128,648 0.17,649 0.038,650 0.014,651 0.05,652 0.132,653 -0.02,654 0.308,655 0.027,656 0.056,657 -0.031,658 0.276,659 -0.09,660 0.024,661 -0.275,662 0.259,663 -0.123,664 0.053,665 0.069,666 2.712,667 4.875,668 0.667,669 11.556,670 1.035,671 1.128,672 3.494,673 12.207,674 0.691,675 2.996,676 3.296,677 3.497,678 3.611,679 3.807,680 3.714,681 3.611,682 3.497,683 3.367,684 3.219,685 4.803,686 0.691,687 248.24,688 2.996,689 4.511,690 5.333,691 6.18,692 7.02,693 7.871,694 8.717,695 9.569,696 10.417,697 11.27,715 8,720 4,722 12,727 1,740 2,741 28,743 13,744 2,745 19,747 29,748 14,749 12,750 4,751 8,752 1,756 2,757 2,770 1,772 13,773 1,777 1,782 1,786 1,790 1,791 2,793 10,794 4,795 1,796 4,808 1,809 2,811 1,829 2,857 1,859 2,866 2,868 18,875 1,880 1,892 2,893 7.1,894 1,896 1,901 10,902 4.902,903 4,904 1.52,907 2.085,908 1.351,909 0.922,910 3.495,911 8.026,912 3.296,913 3.871,914 4.388,915 4.838,916 5.354,917 5.332,918 5.403,919 5.476,920 5.668,921 5.901,922 0.833,923 26,924 6.713,926 2.98,927 0.026,929 8.537,931 11.889,933 9.517,936 3.037,937 54.667,941 105.94,942 105.557,945 67.828,946 29.92,948 105.557,949 173.768,950 29.92,953 118.493,954 30.278,955 24.613,956 29.92,957 105.94,959 105.94,960 105.557,961 97.748,964 135.86,965 25.145,966 42.683,969 105.557,972 135.86,973 67.828,974 105.557,977 105.94,978 29.747,979 75.81,981 97.748,982 105.94,983 97.748,984 105.557,986 0.586,987 0.337,988 0.157,989 0.089,990 12,991 6,992 0.103,993 3,995 1,996 2.996,997 121.917,999 12,1000 67.059,1005 12.406,1006 5.071,1007 2.809,1009 97.748,1010 9.875,1015 -0.401,1017 42.683,1018 309.245,1019 26,1024 11.875,1028 -0.554,1031 28.982,1032 31.589,1034 0.328,1035 0.614,1036 0.703,1037 0.822,1038 0.866,1039 0.881,1040 4.5,1041 0.565,1042 5.323,1043 2.275,1044 3.97,1045 4.554,1046 2.019,1047 6.089,1048 3.924,1049 5.709,1050 -0.24,1051 6.872,1052 1.3,1053 3.611,1054 4.29,1055 1.22,1056 6.94,1057 3.509,1058 7.003,1059 -0.309,1060 8.52,1061 -0.516,1062 5.533,1063 6.691,1064 2.917,1065 9.987,1066 5.463,1067 8.33,1068 -1,1069 10.223,1070 -0.648,1071 5.943,1072 7.155,1073 2.638,1074 11.633,1075 5.839,1076 9.683,1077 -1,1078 11.962,1079 -2.902,1080 7.371,1081 9.063,1082 3.984,1083 14.231,1084 7.293,1085 11.054,1086 -1.209,1087 13.727,1088 -2.982,1089 8.128,1090 9.87,1091 4.007,1092 16.219,1093 8.038,1094 12.438,1095 -1.233,1096 15.512,1097 -3,1098 9.359,1099 11.546,1100 5.117,1101 18.652,1102 9.286,1103 3.045,1104 -1.414,1105 17.312,1106 -3,1107 10.287,1108 12.545,1109 5.332,1110 20.802,1111 10.214,1112 2.607,1113 10.029,1114 19.124,1115 -3.564,1116 11.435,1117 14.09,1118 6.282,1119 23.166,1120 11.373,1121 2.338,1122 7.669,1123 20.946,1124 3.841,1125 12.449,1126 15.209,1127 6.624,1128 25.393,1129 12.392,1130 2.083,1131 6.147,1132 22.777,1133 3.621,1134 13.565,1135 16.674,1136 7.467,1137 27.726,1138 13.516,1139 1.414,1140 5.807,1141 24.615,1142 3.098,1143 14.624,1144 17.869,1145 7.895,1146 29.991,1147 14.58,1148 1,1149 3.932,1150 26.458,1151 2.718,1152 15.729,1153 19.284,1154 8.665,1155 32.309,1156 15.691,1157 1,1158 2.275,1159 28.307,1160 1.914,1161 16.811,1162 20.528,1163 9.152,1164 34.594,1165 16.777,1166 2705,1167 5575,1168 12.137,1169 19.352,1170 28.676,1171 29.37,1172 29.824,1173 28.297,1174 28.104,1175 37.834,1176 4.582,1177 78.867,1178 27.322,1179 5.147,1180 5.831,1181 5.942,1182 5.046,1183 5.045,1184 6.841,1185 3.376,1186 17.155,1187 5.045,1188 9.899,1189 1.509,1190 1.546,1191 1.57,1192 1.489,1193 1.479,1194 1.991,1195 0.241,1196 4.151,1197 1.438,1198 3.983,1199 4.002,1200 3.937,1201 3.907,1202 8.203,1203 3.91,1204 3.863,1205 3.889,1206 3.812,1207 3.794,1208 8.2,1209 3.793,1210 3.414,1211 3.424,1212 3.37,1213 3.224,1214 7.428,1215 3.253,1216 2.933,1217 2.959,1218 2.898,1219 2.751,1220 6.444,1221 2.773,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 4.618,1227 2.715,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 4.578,1233 2.715,1234 2.634,1235 2.681,1236 2.566,1237 2.361,1238 3.674,1239 2.393,1240 2.414,1241 2.425,1242 2.305,1243 1.881,1244 3.674,1245 1.978,1246 0.228,1247 0.202,1248 0.344,1249 0.213,1250 0.16,1251 4.324,1252 0.202,1253 3.831,1254 0.097,1255 6.527,1256 0.528,1257 4.046,1258 0.16,1259 3.045,1260 3.841,1261 1.848,1262 10.029,1263 3.045,1264 1.94,1265 1.922,1266 2.033,1267 2.036,1268 1.153,1269 2.034,1270 1.852,1271 1.828,1272 1.957,1273 1.943,1274 1.034,1275 1.948,1276 1.309,1277 1.295,1278 1.438,1279 1.538,1280 0.549,1281 1.5,1282 0.886,1283 0.821,1284 1.181,1285 1.064,1286 0.218,1287 1.107,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.832,1295 0.806,1296 0.985,1297 1.062,1298 0.062,1299 1.025,1300 0.508,1301 0.461,1302 0.793,1303 0.84,1305 0.812,1306 0.137,1307 0.112,1308 0.509,1309 0.665,1311 0.598,1312 3.664,1314 4.963,1316 6.46,1318 8.035,1320 9.647,1324 25.413,1327 9.837,1332 -1.379,1340 19.357,1341 44.084,1342 82.606,1343 94.606,1344 110.606,1345 116.606,1346 118.606,1347 48.583,1348 5.94,1349 37.3,1350 37.3,1351 12,1352 11.827,1353 3.807,1354 3,1355 31.033,1356 51,1357 50,1358 0.306,1359 120.174,1360 215.48,1361 284.983,1362 2279,1363 7.1,1364 13.121,1365 0.729,1366 0.517,1367 11.38,1368 9.308,1369 8.575,1370 0.451,1371 0.279,1372 5.228,1373 8.212,1374 5.154,1375 4.241,1376 7.788,1377 5.31,1378 7.758,1379 0.298,1380 0.147,1381 6.514,1382 3.825,1383 6.438,1384 0.201,1385 0.08,1386 5.616,1387 2.563,1388 4.482,1389 0.124,1390 0.044,1391 4.179,1392 1.568,1393 3.565,1394 0.081,1395 0.023,1396 3.131,1397 1.026,1398 0.469,1399 54.339,1400 0.287,1401 18.097,1402 0.865,1403 90,1404 416.107,1405 101.869,1406 348.035,1407 439.86,1408 320,1409 103,1410 291.576,1411 113.582,1412 283.854,1413 411.97,1414 267,1415 4}
{0 CHEMBL244415,1 1.434,2 15.212,3 4.986,4 24.863,5 128.546,6 7.426,7 0.5,8 4.187,9 4.282,10 3.756,11 3.72,12 5.316,13 3.709,14 4.711,15 4.868,16 4.084,17 4.08,18 5.794,19 4.062,20 4.859,21 4.993,22 4.198,23 4.258,24 5.948,25 4.21,26 5.06,27 5.268,28 4.14,29 4.283,30 6.075,31 4.199,32 5.05,33 5.261,34 4.047,35 4.244,36 6.068,37 4.147,38 4.984,39 5.212,40 3.904,41 4.161,42 5.952,43 4.04,44 4.833,45 5.07,46 3.83,47 4.038,48 5.78,49 3.925,50 4.741,51 4.946,52 3.757,53 3.925,54 5.778,55 3.843,56 0.019,57 0.767,58 12.082,59 5.881,60 8.241,61 7.124,62 0.426,63 1.238,64 23.823,65 9.125,66 34.461,67 11.211,68 0.253,69 1.449,70 25.824,71 11.522,72 25.452,73 14.281,74 0.429,75 1.728,76 35.184,77 13.716,78 47.711,79 18.106,80 0.522,81 1.676,82 35.492,83 13.567,84 57.83,85 17.701,86 0.53,87 1.548,88 33.841,89 13.16,90 56.527,91 17.545,92 0.32,93 1.365,94 28.672,95 11.458,96 40.765,97 15.688,98 0.511,99 1.221,100 26.416,101 9.501,102 50.196,103 12.149,104 35,105 50,106 0.231,107 0.525,108 0.677,109 0.758,110 0.787,111 0.82,112 3.531,113 0.884,114 -4.97,115 -4.87,116 -4.57,121 45,126 4,127 2,137 1,138 1,144 10,145 4,146 4,160 1,176 14,179 1,180 10,187 16,191 1,192 14,200 13,205 1,206 13,214 8,218 1,219 8,227 10,231 2,232 5,239 13,243 1,244 4,251 12,255 2,256 6,264 8,269 6,277 5,281 1998,282 22.522,283 22.522,284 22.522,285 22.522,286 22.522,287 20.114,288 27.742,289 13.074,290 23.235,291 17.579,292 17.579,293 17.579,294 17.579,295 17.579,296 13.676,297 35.065,298 5.982,299 18.424,300 4.473,301 2.646,302 1.7,303 1.201,304 1.021,305 0.817,306 4.227,311 1,312 1,313 1078,314 3.606,318 435.197,322 167.58,325 2.4,326 27.252,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 71.5,338 502,339 4.511,340 3.729,341 6.553,342 4.125,343 3.149,344 4.166,345 1.674,346 10.396,347 3.074,348 4.246,349 3.234,350 6.271,351 3.853,352 2.881,353 3.833,354 0.995,355 9.454,356 2.796,357 4.052,358 3.055,359 5.835,360 3.688,361 2.72,362 3.639,363 0.86,364 7.963,365 2.636,366 3.912,367 2.854,368 5.601,369 3.534,370 2.564,371 3.366,372 0.86,373 7.708,374 2.492,375 3.667,376 2.701,377 5.424,378 3.335,379 2.393,380 2.992,381 0.86,382 7.171,383 2.246,384 3.525,385 2.668,386 5.178,387 3.188,388 2.229,389 2.794,390 0.359,391 6.445,392 2.12,393 3.325,394 2.46,395 5.015,396 2.941,397 1.965,398 2.522,400 5.717,401 1.903,402 3.142,403 2.221,404 4.741,405 2.77,406 1.83,407 2.332,409 5.169,410 1.71,411 2.958,412 2.056,413 4.575,414 2.638,415 1.68,416 2.015,418 4.732,419 1.598,420 2.648,421 1.678,422 4.145,423 2.188,424 1.282,425 1.588,427 3.431,428 1.149,429 2.5,430 1.181,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.5,439 1.131,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.019,448 1.003,449 3.402,450 1.612,451 0.67,452 0.852,454 1.496,455 0.621,456 1.728,457 1,458 3.018,459 1.462,460 0.582,461 0.646,463 0.985,464 0.506,465 1.496,466 1,467 2.852,468 1.233,469 0.384,470 0.415,472 0.53,473 0.323,474 15.567,475 0.472,476 0.759,477 0.023,478 44,479 1.333,480 23,481 0.697,482 21,483 0.636,484 26.339,485 0.798,486 35.433,487 0.591,488 36.366,489 1.102,490 9.324,491 0.283,492 6.675,493 0.202,494 0.15,496 0.347,501 0.813,502 1.278,503 0.767,504 1.159,505 0.656,506 0.988,507 1.23,508 0.745,509 0.868,510 0.701,511 0.742,512 0.702,513 0.886,514 1.272,515 0.999,516 1.226,517 0.76,518 1.151,519 0.857,520 1.089,521 0.957,522 1.058,523 0.879,524 1.028,525 1.007,526 1.017,527 1.058,528 1.028,529 1.193,530 1.046,531 0.822,532 0.947,533 0.988,534 0.984,535 1.071,536 1.016,537 0.557,538 1.026,539 0.817,540 1.006,541 0.592,542 0.969,543 1.278,544 0.863,545 1.131,546 0.881,547 1.603,548 0.96,549 7.5,550 0.186,551 3.556,552 2.125,553 2.333,554 1.146,555 0.908,556 0.429,557 0.332,558 0.244,559 17070,560 45683,561 2.061,562 45,564 27,572 1.747,573 1.922,574 3.85,575 -0.811,582 86.04,583 1.434,584 3.261,585 4.207,586 4.706,587 4.885,588 5.09,589 3.4,590 4.597,591 5.012,592 4.025,593 2125.46,594 8.747,595 33273.5,597 1,600 354.413,601 1.434,602 4.971,603 0.208,604 0.007,605 0.071,606 0.039,607 0.048,608 0.026,609 0.024,610 0.012,611 0.01,612 0.008,613 0.454,614 0.17,615 1,616 0.88,617 178.799,618 -0.009,619 -0.178,620 0.07,621 -0.112,622 -0.039,623 -0.025,624 -0.084,625 0.33,626 0.088,627 0.279,628 0.051,629 0.233,630 0.012,631 -0.227,632 -0.108,633 -0.201,634 0.024,635 -0.183,636 0.021,637 -0.082,638 0.005,639 -0.074,640 0.04,641 -0.042,642 -0.039,643 -0.028,644 -0.078,645 -0.047,646 -0.055,647 -0.064,648 0.045,649 0.01,650 -0.007,651 0.008,652 -0.011,653 -0.008,654 0.128,655 -0.056,656 0.142,657 -0.007,658 0.166,659 0.056,660 -0.119,661 0.145,662 -0.124,663 0.079,664 -0.177,665 -0.008,666 2.056,667 5.643,668 0.667,669 41.322,670 1.004,671 1.116,672 3.742,673 14.003,674 0.67,675 3.611,676 3.932,677 4.205,678 4.454,679 4.718,680 4.796,681 4.949,682 5.069,683 5.147,684 5.165,685 8.539,686 0.641,687 445.55,688 3.611,689 5.153,690 6.004,691 6.88,692 7.747,693 8.628,694 9.502,695 10.385,696 11.264,697 12.15,698 1.7,701 1,715 10,720 8,722 18,739 3,741 60,743 20,744 3,745 36,747 63,748 27,749 18,750 8,751 10,752 3,756 4,757 5,772 21,773 6,777 2,782 1,784 1,786 2,793 27,794 6,796 6,802 1,808 0.75,809 5,829 4,833 1,846 1,849 1,850 1,855 1,859 3,864 4,868 33,876 2,878 4,881 1,893 8.3,896 1,898 4,901 17.167,902 12.2,903 7.444,904 3.261,907 3.714,908 1.46,909 0.967,910 7.138,911 11.794,912 3.871,913 4.46,914 5.035,915 5.582,916 6.162,917 6.407,918 6.778,919 7.147,920 7.483,921 7.752,922 1,923 54,924 12.167,926 5.046,927 0.026,929 7.702,931 23.209,933 18.485,936 2.202,937 72.667,940 1,941 317.82,942 193.589,943 3.124,945 69.144,948 193.589,949 386.964,950 3.124,951 41.046,952 4.211,953 104.239,954 32.336,955 84.025,957 317.82,959 317.82,960 196.713,961 69.144,964 317.82,965 69.144,968 7.336,969 179.901,970 9.476,972 317.82,973 72.269,974 193.589,977 317.82,978 48.304,979 148.409,981 69.144,982 317.82,983 72.269,984 193.589,986 0.576,987 0.346,988 0.186,989 0.103,990 23,991 11,992 0.127,993 8,994 1,995 1.091,996 4.44,997 296.718,998 0.091,999 22,1000 158.465,1005 23.055,1006 10.216,1007 5.279,1009 72.269,1010 19.548,1015 6.365,1018 583.677,1019 47,1024 12.643,1026 1.827,1028 0.118,1031 60.225,1032 66.943,1034 0.243,1035 0.552,1036 0.712,1037 0.797,1038 0.827,1039 0.862,1040 5.109,1041 1.83,1042 5.989,1043 5.717,1044 4.615,1045 5.147,1046 2.572,1047 6.79,1048 4.536,1049 6.315,1050 1.68,1051 7.544,1052 5.169,1053 4.205,1054 4.934,1055 0.325,1056 7.653,1057 4.1,1058 7.622,1059 1.282,1060 9.191,1061 4.732,1062 6.209,1063 7.318,1064 3.066,1065 10.718,1066 6.071,1067 8.961,1068 1,1069 10.892,1070 3.431,1071 6.581,1072 7.874,1073 0.504,1074 12.363,1075 6.414,1076 10.328,1077 1,1078 12.625,1079 2.275,1080 8.053,1081 9.746,1082 3.886,1083 14.949,1084 7.867,1085 11.715,1086 0.67,1087 14.382,1088 2.275,1089 8.794,1090 10.672,1091 0.585,1092 16.947,1093 8.577,1094 13.117,1095 0.582,1096 16.156,1097 1.496,1098 10.048,1099 12.314,1100 4.848,1101 19.36,1102 9.815,1103 3.149,1104 0.384,1105 17.943,1106 0.985,1107 10.975,1108 13.442,1109 0.622,1110 21.526,1111 10.712,1112 2.881,1113 10.396,1114 19.741,1115 0.53,1116 12.138,1117 14.969,1118 5.857,1119 23.874,1120 11.859,1121 2.72,1122 9.454,1123 21.548,1124 4.166,1125 13.159,1126 16.212,1127 0.639,1128 26.121,1129 12.852,1130 2.564,1131 7.963,1132 23.363,1133 3.833,1134 14.287,1135 17.678,1136 6.882,1137 28.448,1138 13.962,1139 2.393,1140 7.708,1141 25.184,1142 3.639,1143 15.356,1144 18.989,1145 0.646,1146 30.733,1147 15.006,1148 2.229,1149 7.171,1150 27.012,1151 3.366,1152 16.474,1153 20.423,1154 7.91,1155 33.055,1156 16.104,1157 1.965,1158 6.445,1159 28.845,1160 2.992,1161 17.569,1162 21.774,1163 0.648,1164 35.361,1165 17.175,1166 16336,1167 26914,1168 23.868,1169 40.176,1170 53.345,1171 55.104,1172 55.544,1173 52.764,1174 52.861,1175 68.561,1176 11.216,1177 151.955,1178 50.546,1179 5.404,1180 5.729,1181 6.106,1182 5.216,1183 5.149,1184 7.166,1185 3.349,1186 17.269,1187 5.074,1188 17.776,1189 1.482,1190 1.531,1191 1.543,1192 1.466,1193 1.468,1194 1.904,1195 0.312,1196 4.221,1197 1.404,1198 4.049,1199 4.063,1200 4.011,1201 3.976,1202 7.433,1203 3.98,1204 3.932,1205 3.956,1206 3.872,1207 3.852,1208 4.968,1209 3.853,1210 3.867,1211 3.887,1212 3.812,1213 3.801,1214 4.865,1215 3.801,1216 3.573,1217 3.62,1218 3.504,1219 3.407,1220 4.736,1221 3.423,1222 3.446,1223 3.477,1224 3.344,1225 3.238,1226 4.529,1227 3.254,1228 3.249,1229 3.314,1230 3.069,1231 2.98,1232 4.494,1233 2.988,1234 3.239,1235 3.308,1236 3.055,1237 2.953,1238 4.396,1239 2.964,1240 3.149,1241 3.214,1242 2.984,1243 2.914,1244 4.145,1245 2.915,1246 0.125,1247 0.104,1248 0.182,1249 0.115,1250 0.087,1251 4.511,1252 0.116,1253 3.729,1254 0.047,1255 6.553,1256 0.289,1257 4.125,1258 0.085,1259 3.149,1260 4.166,1261 1.674,1262 10.396,1263 3.074,1264 1.992,1265 1.979,1266 2.079,1267 2.081,1268 1.246,1269 2.078,1270 1.911,1271 1.887,1272 2.021,1273 2.02,1274 1.164,1275 2.019,1276 1.854,1277 1.837,1278 1.947,1279 1.948,1280 1.083,1281 1.95,1282 1.515,1283 1.472,1284 1.731,1285 1.735,1286 0.866,1287 1.735,1288 1.374,1289 1.331,1290 1.6,1291 1.612,1292 0.651,1293 1.599,1294 1.195,1295 1.121,1296 1.575,1297 1.524,1298 0.583,1299 1.539,1300 1.191,1301 1.116,1302 1.567,1303 1.499,1304 0.574,1305 1.523,1306 1.127,1307 1.05,1308 1.435,1309 1.367,1310 0.547,1311 1.39,1312 4.29,1314 5.609,1316 7.13,1318 8.741,1320 10.401,1322 6.874,1328 1.612,1330 21.442,1333 2.237,1340 38.444,1341 86.04,1342 195.631,1343 252.4,1344 282.374,1345 293.129,1346 305.394,1347 55.871,1348 8.081,1349 61.14,1350 61.14,1351 24,1352 12.683,1353 4.392,1354 3.585,1355 54.811,1356 170,1357 190,1358 0.156,1359 234.764,1360 419.43,1361 564.585,1362 40401,1364 23.372,1365 0.708,1366 0.583,1367 23.372,1368 19.254,1369 15.999,1370 0.444,1371 0.295,1372 10.408,1373 15.245,1374 10,1375 8.397,1376 15.999,1377 10.611,1378 14.093,1379 0.282,1380 0.158,1381 14.093,1382 7.91,1383 12.085,1384 0.183,1385 0.084,1386 12.085,1387 5.567,1388 9.978,1389 0.117,1390 0.045,1391 9.978,1392 3.848,1393 8.262,1394 0.074,1395 0.024,1396 8.262,1397 2.638,1398 0.254,1399 101.431,1400 0.205,1401 31.33,1402 0.405,1403 172,1404 538.323,1405 188.916,1406 505.437,1407 688.55,1408 476,1409 202,1410 497.306,1411 219.558,1412 509.597,1413 739.58,1414 471,1415 5.646}
{0 CHEMBL244416,1 1.395,2 13.813,3 5.352,4 28.639,5 126.83,6 7.281,7 0.514,8 4.162,9 4.262,10 3.716,11 3.722,12 5.263,13 3.699,14 4.688,15 4.848,16 4.044,17 4.086,18 5.748,19 4.049,20 4.877,21 5.042,22 4.155,23 4.25,24 5.907,25 4.189,26 5.03,27 5.237,28 4.116,29 4.274,30 6.027,31 4.184,32 5.065,33 5.284,34 4.07,35 4.265,36 6.06,37 4.169,38 4.993,39 5.208,40 3.944,41 4.234,42 5.976,43 4.11,44 4.951,45 5.206,46 3.811,47 4.136,48 5.85,49 3.987,50 4.772,51 5.007,52 3.696,53 3.946,54 5.745,55 3.828,56 0.008,57 0.75,58 12.091,59 5.798,60 8.512,61 7.229,62 0.322,63 1.235,64 23.144,65 9.161,66 31.385,67 11.639,68 0.243,69 1.489,70 27.554,71 11.642,72 27.32,73 15.07,74 0.338,75 1.696,76 34.054,77 13.466,78 44.557,79 17.89,80 0.488,81 1.709,82 36.473,83 13.883,84 57.771,85 18.25,86 0.379,87 1.601,88 33.151,89 13.572,90 53.069,91 18.007,92 0.308,93 1.54,94 32.666,95 13.284,96 46.905,97 18.472,98 0.383,99 1.27,100 27.508,101 10.51,102 48.282,103 14.095,104 26,105 48,106 0.225,107 0.528,108 0.696,109 0.783,110 0.813,111 0.824,112 3.502,113 0.914,114 -5.48,115 -5.35,116 -5,121 45.8,122 1,126 2,127 3,137 1,138 1,144 11,145 4,146 3,160 1,176 16,179 1,180 9,187 18,191 1,192 12,200 14,205 1,206 12,214 10,218 1,219 9,227 14,231 1,232 5,239 17,243 1,244 4,251 15,255 2,256 5,264 11,269 4,277 8,281 1796,282 22.074,283 22.074,284 22.074,285 22.074,286 22.074,287 19.639,288 25.01,289 12.996,290 22.645,291 17.113,292 17.113,293 17.113,294 17.113,295 17.113,296 13.276,297 32.181,298 5.962,299 17.792,300 4.488,301 2.617,302 1.578,303 1.034,304 0.852,305 0.784,306 4.2,311 1,312 1,313 951,314 3.536,318 416.088,322 159.123,325 2.211,326 25.117,329 0.75,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.86,337 68.5,338 442,339 4.511,340 3.729,341 6.553,342 4.125,343 3.149,344 4.166,345 1.674,346 10.396,347 3.074,348 4.246,349 3.234,350 6.271,351 3.854,352 2.881,353 3.833,354 0.995,355 9.454,356 2.796,357 3.968,358 3.08,359 5.835,360 3.674,361 2.713,362 3.46,363 0.86,364 8.001,365 2.614,366 3.88,367 2.735,368 5.66,369 3.481,370 2.501,371 3.362,372 0.86,373 7.869,374 2.457,375 3.659,376 2.698,377 5.346,378 3.312,379 2.35,380 2.99,381 0.359,382 6.96,383 2.238,384 3.37,385 2.512,386 5.048,387 3.048,388 2.082,389 2.547,391 5.838,392 1.998,393 3.219,394 2.235,395 4.843,396 2.866,397 1.902,398 2.371,400 5.468,401 1.819,402 3.083,403 2.172,404 4.707,405 2.678,406 1.715,407 2.252,409 4.971,410 1.64,411 2.824,412 1.684,413 4.147,414 2.41,415 1.416,416 1.931,418 3.44,419 1.405,420 2.652,421 1.513,422 3.586,423 2.19,424 1.284,425 1.592,427 3.019,428 1.151,429 2.5,430 1.172,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.5,439 1.006,440 3.403,441 2,442 1,443 1.5,445 2.136,446 1,447 2.02,448 1,449 3.247,450 1.619,451 0.674,452 0.854,454 1.499,455 0.626,456 1.507,457 1,458 2.929,459 1.396,460 0.427,461 0.449,463 0.646,464 0.412,465 1.487,466 0.766,467 2.841,468 1.232,469 0.383,470 0.412,472 0.528,473 0.322,474 15.233,475 0.476,476 0.653,477 0.02,478 42.5,479 1.328,480 22.5,481 0.703,482 20,483 0.625,484 26.039,485 0.814,486 33.967,487 0.576,488 34.032,489 1.064,490 8.822,491 0.276,492 6.783,493 0.212,494 0.12,496 0.322,501 0.787,502 1.231,503 0.787,504 1.117,505 0.637,506 0.978,507 1.126,508 0.872,509 0.89,510 0.813,511 0.683,512 0.803,513 0.853,514 1.161,515 0.95,516 1.112,517 0.706,518 1.053,519 0.893,520 1.113,521 0.969,522 1.079,523 0.882,524 1.039,525 1.119,526 0.92,527 1.001,528 0.924,529 1.176,530 0.939,531 0.864,532 1.047,533 1.072,534 1.089,535 1.084,536 1.111,537 0.499,538 0.987,539 0.858,540 1.003,541 0.578,542 0.991,543 0.976,544 0.898,545 0.987,546 0.922,547 1.427,548 0.954,549 6.5,550 0.186,551 3.111,552 2.063,553 2.102,554 1.028,555 0.867,556 0.429,557 0.282,558 0.224,559 15205,560 37792,561 2.082,562 45.8,564 24,569 3,572 1.741,573 1.959,574 3.739,575 -0.836,582 82.312,583 1.395,584 3.265,585 4.305,586 4.848,587 5.031,588 5.098,589 3.265,590 4.625,591 4.969,592 3.909,593 1938.87,594 8.673,595 29157.4,600 347.076,601 1.366,602 4.936,603 0.186,604 0.007,605 0.065,606 0.04,607 0.044,608 0.022,609 0.022,610 0.012,611 0.009,612 0.008,613 0.415,614 0.33,615 0.88,616 0.851,617 170.447,618 0.004,619 -0.144,620 0.067,621 -0.081,622 -0.031,623 -0.012,624 -0.018,625 0.202,626 0.061,627 0.168,628 0.073,629 0.139,630 0.055,631 -0.119,632 -0.024,633 -0.113,634 0.061,635 -0.085,636 0.047,637 -0.105,638 -0.001,639 -0.099,640 0.058,641 -0.063,642 -0.029,643 0.063,644 -0.001,645 0.051,646 -0.01,647 0.034,648 0.009,649 -0.078,650 -0.11,651 -0.091,652 -0.034,653 -0.115,654 0.137,655 -0.036,656 0.107,657 -0.005,658 0.135,659 0.037,660 0.019,661 0.074,662 0.013,663 0.055,664 -0.077,665 0.033,666 2.045,667 5.653,668 0.688,669 37.641,670 0.998,671 1.114,672 4.246,673 18.029,674 0.673,675 3.584,676 3.892,677 4.174,678 4.431,679 4.7,680 4.762,681 4.92,682 5.069,683 5.159,684 5.153,685 7.967,686 0.639,687 429.55,688 3.584,689 5.118,690 5.969,691 6.843,692 7.711,693 8.591,694 9.467,695 10.35,696 11.231,697 12.117,698 1.7,701 1,715 11,720 7,722 18,739 2,741 59,743 20,744 3,745 35,747 62,748 27,749 18,750 7,751 11,752 3,756 4,757 5,763 1,772 21,773 6,777 2,782 1,784 1,786 2,793 27,794 5,796 5,802 1,808 0.75,809 4,829 4,833 1,846 1,849 1,850 1,855 1,859 3,864 3,868 32,876 3,878 3,881 1,893 6.8,896 1,898 3,901 16.333,902 11.617,903 7.278,904 3.508,907 3.62,908 1.455,909 0.976,910 6.935,911 11.581,912 3.85,913 4.425,914 4.999,915 5.547,916 6.124,917 6.357,918 6.753,919 7.153,920 7.496,921 7.744,922 1,923 52,924 11.821,926 4.918,927 0.026,929 7.656,931 22.716,933 18.252,936 2.156,937 69,941 317.82,942 189.473,943 3.124,945 58.145,948 189.473,949 375.964,950 3.124,951 30.591,952 6.317,953 113.715,954 32.336,955 67.782,957 317.82,959 317.82,960 192.597,961 58.145,964 282.506,965 93.458,968 18.267,969 164.854,970 9.476,972 317.82,973 61.269,974 189.473,977 317.82,978 45.167,979 147.431,981 58.145,982 317.82,983 61.269,984 189.473,986 0.57,987 0.346,988 0.189,989 0.107,990 22,991 10,992 0.129,993 8,994 1,995 1.091,996 4.342,997 287.129,998 0.091,999 22,1000 152,1005 22.128,1006 10.029,1007 5.062,1009 61.269,1010 22.056,1015 5.679,1018 568.562,1019 46,1024 12.653,1026 1.839,1028 0.143,1031 58.898,1032 65.734,1034 0.237,1035 0.555,1036 0.732,1037 0.824,1038 0.855,1039 0.867,1040 5.078,1041 1.715,1042 5.943,1043 5.468,1044 4.575,1045 5.112,1046 2.452,1047 6.742,1048 4.507,1049 6.274,1050 1.416,1051 7.493,1052 4.971,1053 4.111,1054 4.832,1055 0.325,1056 7.6,1057 4.017,1058 7.574,1059 1.284,1060 9.139,1061 3.44,1062 6.159,1063 7.267,1064 3.014,1065 10.683,1066 6.035,1067 8.908,1068 1,1069 10.841,1070 3.019,1071 6.509,1072 7.782,1073 0.504,1074 12.34,1075 6.354,1076 10.271,1077 1,1078 12.578,1079 2.275,1080 8.005,1081 9.686,1082 3.869,1083 14.933,1084 7.83,1085 11.656,1086 0.674,1087 14.34,1088 2.136,1089 8.74,1090 10.589,1091 0.585,1092 16.939,1093 8.533,1094 13.057,1095 0.427,1096 16.119,1097 1.499,1098 10.006,1099 12.252,1100 4.843,1101 19.355,1102 9.783,1103 3.149,1104 0.383,1105 17.911,1106 0.646,1107 10.934,1108 13.368,1109 0.622,1110 21.525,1111 10.679,1112 2.881,1113 10.396,1114 19.714,1115 0.528,1116 12.104,1117 14.907,1118 5.856,1119 23.875,1120 11.832,1121 2.713,1122 9.454,1123 21.526,1124 4.166,1125 13.128,1126 16.146,1127 0.639,1128 26.123,1129 12.826,1130 2.501,1131 8.001,1132 23.345,1133 3.833,1134 14.261,1135 17.62,1136 6.881,1137 28.451,1138 13.94,1139 2.35,1140 7.869,1141 25.17,1142 3.46,1143 15.333,1144 18.93,1145 0.646,1146 30.736,1147 14.985,1148 2.082,1149 6.96,1150 27,1151 3.362,1152 16.454,1153 20.37,1154 7.91,1155 33.058,1156 16.086,1157 1.902,1158 5.838,1159 28.836,1160 2.99,1161 17.552,1162 21.723,1163 0.648,1164 35.364,1165 17.158,1166 14509,1167 23110,1168 23.463,1169 39.722,1170 51.446,1171 53.1,1172 53.375,1173 51.09,1174 51.155,1175 66.674,1176 9.496,1177 145.472,1178 49.299,1179 5.403,1180 5.729,1181 6.355,1182 5.216,1183 5.149,1184 7.166,1185 3.349,1186 17.269,1187 5.074,1188 15.39,1189 1.47,1190 1.517,1191 1.525,1192 1.46,1193 1.462,1194 1.905,1195 0.271,1196 4.156,1197 1.409,1198 4.049,1199 4.064,1200 4.011,1201 3.977,1202 7.433,1203 3.981,1204 3.927,1205 3.956,1206 3.86,1207 3.853,1208 4.966,1209 3.849,1210 3.864,1211 3.886,1212 3.803,1213 3.801,1214 4.767,1215 3.8,1216 3.606,1217 3.668,1218 3.514,1219 3.439,1220 4.723,1221 3.448,1222 3.479,1223 3.499,1224 3.381,1225 3.308,1226 4.527,1227 3.316,1228 3.249,1229 3.314,1230 3.064,1231 3.004,1232 4.494,1233 2.988,1234 3.189,1235 3.271,1236 3.005,1237 2.953,1238 4.206,1239 2.964,1240 3.129,1241 3.198,1242 2.942,1243 2.928,1244 3.955,1245 2.924,1246 0.129,1247 0.107,1248 0.187,1249 0.118,1250 0.09,1251 4.511,1252 0.119,1253 3.729,1254 0.048,1255 6.553,1256 0.297,1257 4.125,1258 0.088,1259 3.149,1260 4.166,1261 1.674,1262 10.396,1263 3.074,1264 1.993,1265 1.979,1266 2.084,1267 2.082,1268 1.264,1269 2.08,1270 1.917,1271 1.888,1272 2.037,1273 2.02,1274 1.17,1275 2.025,1276 1.855,1277 1.837,1278 1.95,1279 1.945,1280 1.084,1281 1.952,1282 1.578,1283 1.515,1284 1.834,1285 1.781,1286 0.987,1287 1.8,1288 1.416,1289 1.389,1290 1.613,1291 1.629,1292 0.74,1293 1.616,1294 1.193,1295 1.117,1296 1.575,1297 1.524,1298 0.618,1299 1.539,1300 1.191,1301 1.114,1302 1.519,1303 1.427,1304 0.574,1305 1.465,1306 1.122,1307 1.049,1308 1.409,1309 1.35,1310 0.553,1311 1.371,1312 4.263,1314 5.572,1316 7.089,1318 8.699,1320 10.358,1322 5.303,1328 2.698,1330 16.244,1333 2.383,1340 37.729,1341 82.312,1342 192.644,1343 254.003,1344 286.056,1345 296.811,1346 300.811,1347 52.836,1348 7.961,1349 51.91,1350 51.91,1351 24,1352 12.65,1353 4.392,1354 3.585,1355 52.149,1356 154,1357 150,1358 0.165,1359 230.768,1360 410.64,1361 554.834,1362 33844,1364 22.501,1365 0.703,1366 0.582,1367 22.501,1368 18.63,1369 15.605,1370 0.446,1371 0.305,1372 10.507,1373 15.007,1374 10.149,1375 8.498,1376 15.605,1377 10.664,1378 13.471,1379 0.281,1380 0.16,1381 13.471,1382 7.678,1383 11.706,1384 0.183,1385 0.088,1386 11.706,1387 5.606,1388 9.663,1389 0.116,1390 0.046,1391 9.663,1392 3.817,1393 8.207,1394 0.075,1395 0.025,1396 8.207,1397 2.723,1398 0.265,1399 97.868,1400 0.206,1401 30.329,1402 0.434,1403 166,1404 486.587,1405 180.37,1406 462.569,1407 635.26,1408 436,1409 195,1410 464.113,1411 210.067,1412 474.297,1413 692.09,1414 442,1415 7.738}
{0 CHEMBL244425,1 1.689,2 8.4,3 3.546,4 12.571,5 63.462,6 10.151,7 0.571,8 3.476,9 3.542,10 3.246,11 3.045,12 4.947,13 3.093,14 3.938,15 4.022,16 3.647,17 3.376,18 5.533,19 3.44,20 4.253,21 4.384,22 3.787,23 3.424,24 5.968,25 3.517,26 4.243,27 4.376,28 3.761,29 3.252,30 6.293,31 3.367,32 4.081,33 4.232,34 3.462,35 3.119,36 5.888,37 3.197,38 3.906,39 4.057,40 3.372,41 3.012,42 5.745,43 3.084,44 3.786,45 3.951,46 3.291,47 2.843,48 5.85,49 2.92,50 3.513,51 3.727,52 2.774,53 2.477,54 5.094,55 2.537,56 0.322,57 0.669,58 2.162,59 2.822,60 64.752,61 2.168,62 0.558,63 1.064,64 3.784,65 4.491,66 106.759,67 3.514,68 1.086,69 1.309,70 9.902,71 5.967,72 213.378,73 4.65,74 1.427,75 1.307,76 11.223,77 5.578,78 275.293,79 4.157,80 1.087,81 0.804,82 11.34,83 4.736,84 214.187,85 3.93,86 0.877,87 0.828,88 8.707,89 4.119,90 171.506,91 3.562,92 0.919,93 0.953,94 7.649,95 3.763,96 168.741,97 3.178,98 0.594,99 0.659,100 7.079,101 2.982,102 109.583,103 2.712,104 37,105 30,106 0.327,107 0.605,108 0.726,109 0.875,110 0.916,111 0.93,112 3.058,113 0.789,114 -5.24,115 -5.13,116 -4.8,121 50,129 1,144 6,145 2,146 4,159 1,176 4,180 1,185 1,187 6,192 2,195 1,197 2,200 3,206 3,211 3,214 2,219 2,224 2,227 5,239 4,251 4,281 464,282 12.776,283 12.776,284 12.776,285 12.776,286 12.776,287 11.075,288 11.535,289 7.279,290 13.004,291 10.269,292 10.269,293 10.269,294 10.269,295 10.269,296 7.728,297 9.784,298 3.408,299 10.723,300 3.118,301 1.679,302 1.054,303 0.286,304 0.071,306 3.705,311 1,312 1,313 344,314 3,318 139.244,325 1.2,326 57.784,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 48,338 168,339 4.454,340 3.87,341 6.722,342 4.143,343 3.154,344 4.047,345 1.848,346 10.719,347 3.114,348 4.231,349 3.254,350 6.246,351 3.809,352 2.845,353 3.885,354 0.443,355 9.166,356 2.733,357 3.749,358 3.046,359 5.435,360 3.352,361 2.4,362 3.108,364 6.785,365 2.265,366 3.468,367 2.746,368 5.028,369 3.053,370 2.118,371 2.785,373 5.927,374 1.959,375 3.158,376 2.615,377 4.81,378 2.735,379 1.815,380 2.337,382 5.024,383 1.642,384 2.859,385 2.27,386 4.333,387 2.422,388 1.475,389 1.99,391 3.855,392 1.376,393 2.678,394 1.566,395 3.969,396 2.201,397 1.214,398 1.732,400 3.118,401 1.189,402 2.045,403 1.341,404 3.36,405 1.639,406 0.66,407 0.845,409 1.533,410 0.63,411 1.253,412 0.537,413 2.57,414 0.822,415 -0.101,416 -0.125,418 -0.236,419 -0.09,420 1.118,421 0.452,422 2.359,423 0.706,424 -0.225,425 -0.29,427 -0.498,428 -0.202,429 0.796,430 0.235,431 2.359,432 0.361,433 -0.515,434 -0.621,436 -1.242,437 -0.426,438 0.794,439 0.235,440 2.151,441 0.36,442 -0.515,443 -0.621,445 -1.242,446 -0.426,447 0.168,448 -0.313,449 1.826,450 -0.207,451 -1.148,452 -1.39,454 -2.984,455 -1.039,456 0.104,457 -0.748,458 1.444,459 -0.262,460 -1.154,461 -1.532,463 -3.1,464 -1.076,465 -0.086,466 -0.965,467 1.372,468 -0.399,469 -1.359,470 -1.732,472 -3.689,473 -1.287,474 8.81,475 0.44,476 0.689,477 0.034,478 25.5,479 1.275,480 13.5,481 0.675,482 12,483 0.6,484 13.032,485 0.652,486 22.39,487 0.8,488 20.891,489 1.045,490 5.616,491 0.281,492 3.781,493 0.189,494 0.205,496 0.454,499 4,501 0.611,502 0.754,503 0.55,504 0.863,505 0.639,506 0.779,507 0.725,508 0.964,509 0.666,510 1.128,511 0.712,512 1.018,513 1.078,514 1.077,515 1.017,516 1.097,517 1.086,518 1.043,519 0.996,520 0.896,521 1.066,522 1.051,523 1.009,524 1.091,525 1,526 0.733,527 1.09,528 0.832,529 1.027,530 0.937,531 0.9,532 0.917,533 0.955,534 0.911,535 0.917,536 0.962,537 0.935,538 1.135,539 1.056,540 1.029,541 0.898,542 1.1,543 1.304,544 1.333,545 1.323,546 1.115,547 1.281,548 1.154,549 5,550 0.041,551 3.111,552 2.125,553 1.467,554 0.75,555 0.446,556 0.205,557 0.221,558 0.04,559 3265,560 16798,561 1.911,562 28.6,564 7,567 1,572 1.62,573 1.714,574 3.048,575 -0.222,577 1,579 1,582 47.303,583 1.689,584 3.128,585 3.753,586 4.522,587 4.736,588 4.807,589 2.446,590 3.322,591 4.295,592 3.133,593 595.318,594 7.35,595 5968.22,597 1,599 1,600 134.606,601 1.571,602 4.201,603 0.238,604 0.021,605 0.104,606 0.066,607 0.052,608 0.034,609 0.022,610 0.012,611 0.022,612 0.006,613 0.577,614 0.83,615 1,616 0.737,617 87.569,618 -0.039,619 0.034,620 -0.029,621 0.092,622 -0.066,623 0.072,624 -0.062,625 -0.137,626 -0.039,627 -0.179,628 -0.046,629 -0.144,630 -0.172,631 -0.149,632 -0.123,633 -0.142,634 -0.168,635 -0.105,636 0.057,637 0.062,638 -0.069,639 -0.107,640 0.061,641 -0.168,642 -0.088,644 -0.047,645 0.089,646 -0.093,647 0.084,648 0.007,649 -0.087,650 0.057,651 0.033,652 -0.007,653 0.056,654 0.157,655 0.01,656 0.01,657 -0.031,658 0.163,659 -0.107,660 -0.243,661 -0.228,662 -0.112,663 -0.112,664 -0.254,665 -0.032,666 3.337,667 5.436,668 0.6,669 12.8,670 1.072,671 1.152,672 4.011,673 16.091,674 0.687,675 3.091,676 3.434,677 3.664,678 3.85,679 3.97,680 3.932,681 3.784,682 3.714,683 3.714,684 3.497,685 4.871,686 0.719,687 284.22,688 3.091,689 4.635,690 5.476,691 6.354,692 7.212,693 8.092,694 8.954,695 9.835,696 10.701,697 11.581,715 6,720 6,722 12,727 1,740 4,741 28,743 13,744 2,745 21,747 29,748 14,749 12,750 6,751 6,752 1,756 2,757 2,770 1,772 13,773 1,777 1,782 1,786 1,790 1,791 4,793 8,794 6,795 1,796 6,808 1,809 2,811 1,829 2,857 1,859 2,866 4,868 20,875 1,880 1,892 4,893 7.1,894 1,896 1,901 11.667,902 5.021,903 4.389,904 1.494,907 2.167,908 1.351,909 0.924,910 3.87,911 8.34,912 3.367,913 3.989,914 4.527,915 5.022,916 5.477,917 5.547,918 5.533,919 5.694,920 5.935,921 6.124,922 0.833,923 32,924 7.63,926 3.644,927 0.026,929 9,931 12.731,933 10.265,936 3.5,937 70,941 82.398,942 104.846,945 67.828,946 59.84,948 104.846,949 150.226,950 59.84,953 99.541,954 30.278,955 42.855,956 59.84,957 82.398,959 82.398,960 104.846,961 127.669,964 142.238,965 25.145,966 42.683,969 104.846,972 142.238,973 67.828,974 104.846,977 82.398,978 47.989,979 56.857,981 127.669,982 82.398,983 127.669,984 104.846,986 0.596,987 0.351,988 0.179,989 0.089,990 14,991 8,992 0.103,993 3,995 1,996 3.057,997 146.065,999 12,1000 86.439,1005 14.232,1006 5.438,1007 2.89,1009 127.669,1010 4.389,1015 -5.131,1017 42.683,1018 314.913,1019 28,1024 11.842,1028 -1.145,1031 30.007,1032 32.269,1034 0.351,1035 0.651,1036 0.781,1037 0.941,1038 0.985,1039 1,1040 4.605,1041 0.66,1042 5.501,1043 3.118,1044 4.111,1045 4.673,1046 2.019,1047 6.33,1048 4.029,1049 5.845,1050 -0.101,1051 7.091,1052 1.533,1053 3.892,1054 4.605,1055 1.22,1056 7.29,1057 3.733,1058 7.168,1059 -0.225,1060 8.778,1061 -0.236,1062 5.733,1063 6.875,1064 2.917,1065 10.382,1066 5.604,1067 8.524,1068 -0.515,1069 10.52,1070 -0.498,1071 6.256,1072 7.526,1073 2.638,1074 12.119,1075 6.071,1076 9.906,1077 -0.515,1078 12.295,1079 -1.242,1080 7.644,1081 9.336,1082 3.984,1083 14.768,1084 7.482,1085 11.306,1086 -1.148,1087 14.095,1088 -1.242,1089 8.497,1090 10.326,1091 4.007,1092 16.838,1093 8.298,1094 12.721,1095 -1.154,1096 15.913,1097 -2.984,1098 9.718,1099 11.934,1100 5.117,1101 19.319,1102 9.529,1103 3.154,1104 -1.359,1105 17.745,1106 -3.1,1107 10.72,1108 13.1,1109 5.332,1110 21.539,1111 10.507,1112 2.845,1113 10.719,1114 19.589,1115 -3.689,1116 11.879,1117 14.607,1118 6.282,1119 23.951,1120 11.667,1121 2.4,1122 9.166,1123 21.441,1124 4.047,1125 12.949,1126 15.868,1127 6.624,1128 26.243,1129 12.721,1130 2.118,1131 6.785,1132 23.301,1133 3.885,1134 14.086,1135 17.32,1136 7.467,1137 28.625,1138 13.854,1139 1.815,1140 5.927,1141 25.167,1142 3.108,1143 15.189,1144 18.635,1145 7.895,1146 30.952,1147 14.944,1148 1.475,1149 5.024,1150 27.038,1151 2.785,1152 16.32,1153 20.057,1154 8.665,1155 33.323,1156 16.068,1157 1.214,1158 3.855,1159 28.913,1160 2.337,1161 17.439,1162 21.402,1163 9.152,1164 35.668,1165 17.176,1166 3383,1167 7739,1168 12.948,1169 19.227,1170 31.951,1171 33.355,1172 34.089,1173 31.623,1174 31.365,1175 41.457,1176 4.582,1177 92.254,1178 29.816,1179 5.289,1180 5.87,1181 6.007,1182 5.143,1183 5.154,1184 7.047,1185 3.376,1186 18.214,1187 5.114,1188 12.862,1189 1.521,1190 1.588,1191 1.623,1192 1.506,1193 1.494,1194 1.974,1195 0.218,1196 4.393,1197 1.42,1198 3.994,1199 4.01,1200 3.964,1201 3.907,1202 8.214,1203 3.916,1204 3.876,1205 3.899,1206 3.844,1207 3.793,1208 8.208,1209 3.799,1210 3.415,1211 3.424,1212 3.371,1213 3.224,1214 8.191,1215 3.253,1216 2.951,1217 2.98,1218 2.944,1219 2.751,1220 8.191,1221 2.78,1222 2.9,1223 2.957,1224 2.837,1225 2.733,1226 7.428,1227 2.735,1228 2.888,1229 2.944,1230 2.785,1231 2.733,1232 6.443,1233 2.732,1234 2.66,1235 2.702,1236 2.598,1237 2.359,1238 4.491,1239 2.407,1240 2.432,1241 2.439,1242 2.335,1243 1.88,1244 4.451,1245 1.987,1246 0.212,1247 0.184,1248 0.32,1249 0.197,1250 0.15,1251 4.454,1252 0.193,1253 3.87,1254 0.088,1255 6.722,1256 0.51,1257 4.143,1258 0.148,1259 3.154,1260 4.047,1261 1.848,1262 10.719,1263 3.114,1264 1.932,1265 1.917,1266 2.004,1267 2.037,1268 1.142,1269 2.025,1270 1.842,1271 1.822,1272 1.925,1273 1.945,1274 1.016,1275 1.937,1276 1.309,1277 1.295,1278 1.438,1279 1.538,1280 0.547,1281 1.5,1282 0.865,1283 0.811,1284 1.119,1285 1.07,1286 0.16,1287 1.082,1288 0.86,1289 0.804,1290 1.113,1291 1.068,1292 0.152,1293 1.079,1294 0.818,1295 0.793,1296 0.931,1297 1.064,1298 0.006,1299 1.01,1300 0.481,1301 0.446,1302 0.713,1303 0.845,1305 0.784,1306 0.123,1307 0.103,1308 0.488,1309 0.669,1311 0.576,1312 3.761,1314 5.094,1316 6.621,1318 8.237,1320 9.896,1324 52.315,1327 9.736,1332 -2.004,1340 20.124,1341 47.303,1342 87.586,1343 105.096,1344 126.606,1345 132.606,1346 134.606,1347 79.855,1348 6.174,1349 37.3,1350 37.3,1351 12,1352 12.12,1353 3.807,1354 3,1355 36.321,1356 58,1357 56,1358 0.318,1359 122.57,1360 227.62,1361 290.831,1362 3037,1363 14.3,1364 14.861,1365 0.743,1366 0.495,1367 11.38,1368 9.909,1369 9.397,1370 0.447,1371 0.263,1372 5.389,1373 8.81,1374 5.357,1375 4.359,1376 7.788,1377 5.522,1378 8.837,1379 0.295,1380 0.135,1381 6.514,1382 4.057,1383 7.176,1384 0.189,1385 0.071,1386 5.616,1387 2.702,1388 5.72,1389 0.124,1390 0.037,1391 4.179,1392 1.701,1393 3.863,1394 0.074,1395 0.02,1396 3.131,1397 1.042,1398 0.482,1399 60.999,1400 0.278,1401 19.631,1402 0.919,1403 102,1404 604.33,1405 121.531,1406 472.116,1407 583.82,1408 432,1409 119,1410 380.242,1411 136.566,1412 358.965,1413 526.22,1414 337,1415 4}
{0 CHEMBL244426,1 1.689,2 7.2,3 3.546,4 12.571,5 63.462,6 10.151,7 0.571,8 3.476,9 3.542,10 3.246,11 3.045,12 4.949,13 3.093,14 3.938,15 4.022,16 3.647,17 3.376,18 5.513,19 3.44,20 4.254,21 4.383,22 3.847,23 3.421,24 5.971,25 3.534,26 4.283,27 4.4,28 3.914,29 3.244,30 6.49,31 3.415,32 4.135,33 4.267,34 3.594,35 3.113,36 6.184,37 3.235,38 3.9,39 4.055,40 3.337,41 3.009,42 5.5,43 3.094,44 3.818,45 3.97,46 3.492,47 2.837,48 6.109,49 2.965,50 3.525,51 3.74,52 2.596,53 2.481,54 5.128,55 2.5,56 0.322,57 0.669,58 2.162,59 2.822,60 64.974,61 2.168,62 0.558,63 1.064,64 3.784,65 4.491,66 108.711,67 3.514,68 1.056,69 1.375,70 9.931,71 5.968,72 213.656,73 4.783,74 1.626,75 1.468,76 11.173,77 5.666,78 318.161,79 3.764,80 1.348,81 0.917,82 11.243,83 4.842,84 261.051,85 3.229,86 0.784,87 0.893,88 8.723,89 4.129,90 153.868,91 3.349,92 1.083,93 1.402,94 7.63,95 3.823,96 194.923,97 3.057,98 0.657,99 0.612,100 7.032,101 3.001,102 115.754,103 2.404,104 37,105 30,106 0.327,107 0.605,108 0.671,109 0.764,110 0.806,111 0.819,112 3.059,113 0.791,114 -5.24,115 -5.13,116 -4.8,121 50,129 1,144 6,145 2,146 4,159 1,176 4,180 1,185 1,187 6,192 1,195 1,197 1,200 3,206 2,211 2,219 3,224 3,227 4,232 1,237 1,239 2,251 4,264 4,277 1,281 448,282 12.88,283 12.88,284 12.88,285 12.88,286 12.88,287 11.125,288 10.184,289 7.355,290 13.086,291 10.249,292 10.249,293 10.249,294 10.249,295 10.249,296 7.688,297 8.678,298 3.376,299 10.675,300 3.118,301 1.679,302 1.34,303 0.857,304 0.643,305 0.571,306 3.705,311 1,312 1,313 294,314 3,318 135.617,325 1,326 60.464,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 48,338 144,339 4.539,340 3.91,341 6.912,342 4.217,343 3.236,344 4.157,345 1.848,346 11.408,347 3.17,348 4.328,349 3.376,350 6.56,351 3.915,352 2.954,353 3.993,354 0.443,355 10.153,356 2.823,357 3.561,358 3.034,359 5.46,360 3.196,361 2.223,362 2.819,364 6.453,365 2.144,366 3.232,367 2.592,368 4.841,369 2.787,370 1.879,371 2.481,373 5.104,374 1.678,375 3.232,376 2.592,377 4.841,378 2.787,379 1.879,380 2.481,382 5.104,383 1.678,384 2.939,385 2.223,386 4.317,387 2.51,388 1.512,389 2.111,391 3.751,392 1.505,393 2.678,394 1.356,395 3.804,396 2.198,397 1.207,398 1.732,400 2.789,401 1.19,402 2.084,403 1.311,404 3.354,405 1.696,406 0.742,407 0.913,409 1.684,410 0.685,411 1.172,412 0.866,413 2.59,414 0.759,415 -0.142,416 -0.164,418 -0.354,419 -0.121,420 1,421 0.681,422 2.352,423 0.623,424 -0.29,425 -0.36,427 -0.664,428 -0.254,429 1,430 0.159,431 2.352,432 0.557,433 -0.347,434 -0.445,436 -0.757,437 -0.303,438 1,439 0.159,440 2.151,441 0.557,442 -0.347,443 -0.445,445 -0.757,446 -0.303,447 0.046,448 -0.324,449 1.825,450 -0.34,451 -1.236,452 -1.483,454 -3.038,455 -1.085,456 0.045,457 -0.766,458 1.434,459 -0.363,460 -1.241,461 -1.596,463 -3.093,464 -1.106,465 -0.053,466 -0.946,467 1.353,468 -0.369,469 -1.349,470 -1.732,472 -3.666,473 -1.329,474 8.81,475 0.44,476 0.656,477 0.033,478 25.5,479 1.275,480 13.5,481 0.675,482 12,483 0.6,484 13.353,485 0.668,486 22.39,487 0.8,488 21.279,489 1.064,490 5.647,491 0.282,492 3.784,493 0.189,494 0.205,496 0.454,499 4,501 0.611,502 0.754,503 0.55,504 0.863,505 0.638,506 0.779,507 0.725,508 0.964,509 0.666,510 1.128,511 0.729,512 1.018,513 1.049,514 1.141,515 0.858,516 1.109,517 1.076,518 0.953,519 1.098,520 1.1,521 1.012,522 1.067,523 1.104,524 1,525 1.225,526 0.919,527 1.298,528 0.836,529 1.221,530 0.955,531 1.128,532 1.008,533 1.037,534 0.927,535 1.154,536 0.913,537 0.785,538 1.069,539 0.721,540 1.045,541 0.732,542 0.965,543 1.497,544 1.254,545 1.795,546 1.09,547 1.436,548 1.367,549 4,551 3.111,552 2.625,553 1.467,554 0.583,555 0.571,556 0.139,557 0.114,559 3057,560 15070,561 1.911,562 28.6,564 7,567 1,572 1.625,573 1.714,574 2.83,575 -0.222,577 1,579 1,582 47.303,583 1.689,584 3.128,585 3.468,586 3.95,587 4.164,588 4.236,589 2.122,590 2.722,591 4.3,592 2.942,593 558.937,594 7.378,595 5637.1,597 1,599 1,600 134.606,601 1.571,602 4.201,603 0.19,605 0.104,606 0.077,607 0.046,608 0.024,609 0.029,610 0.007,611 0.014,613 0.491,614 0.83,615 1,616 0.737,617 86.407,618 -0.039,619 0.034,620 -0.029,621 0.092,622 -0.065,623 0.072,624 -0.062,625 -0.137,626 -0.039,627 -0.179,628 -0.063,629 -0.144,630 -0.142,631 -0.216,632 0.042,633 -0.155,634 -0.153,635 -0.012,636 0.12,637 0.039,638 -0.019,639 -0.105,640 0.132,641 -0.161,642 -0.091,643 0.063,644 -0.271,645 0.109,646 -0.07,647 -0.054,648 -0.23,649 -0.181,650 -0.028,651 0.017,652 -0.25,653 0.107,654 0.419,655 0.196,656 0.353,657 -0.036,658 0.44,659 -0.023,660 -0.375,661 -0.07,662 -0.605,663 -0.078,664 -0.36,665 -0.288,666 3.664,667 5.438,668 0.6,669 11.6,670 1.072,671 1.152,672 4.011,673 16.091,674 0.687,675 3.091,676 3.434,677 3.714,678 3.932,679 3.97,680 3.85,681 3.807,682 3.714,683 3.611,684 3.497,685 4.503,686 0.719,687 284.22,688 3.091,689 4.635,690 5.493,691 6.382,692 7.252,693 8.144,694 9.019,695 9.912,696 10.789,697 11.681,715 6,720 6,722 12,727 1,740 4,741 28,743 13,744 2,745 21,747 29,748 14,749 12,750 6,751 6,752 1,756 2,757 2,770 1,772 13,773 1,777 1,782 1,786 1,790 1,791 4,793 8,794 6,795 1,796 6,808 1,809 2,811 1,829 2,857 1,859 2,866 4,868 20,875 1,880 1,892 4,893 7.1,894 1,896 1,901 11.667,902 5.021,903 4.444,904 1.508,907 2.234,908 1.362,909 0.924,910 3.87,911 8.408,912 3.367,913 3.989,914 4.559,915 5.07,916 5.452,917 5.445,918 5.54,919 5.752,920 5.901,921 6.124,922 0.8,923 34,924 7.72,926 3.783,927 0.026,929 9,931 12.731,933 10.274,936 3.5,937 70,941 82.398,942 104.846,945 67.828,946 59.84,948 104.846,949 150.226,950 59.84,953 99.541,954 30.278,955 42.855,956 59.84,957 82.398,959 82.398,960 104.846,961 127.669,964 142.238,965 25.145,966 42.683,969 104.846,972 142.238,973 67.828,974 104.846,977 82.398,978 47.989,979 56.857,981 127.669,982 82.398,983 127.669,984 104.846,986 0.594,987 0.369,988 0.199,989 0.088,990 14,991 8,992 0.103,993 3,995 1,996 2.994,997 149.283,999 12,1000 74.439,1005 14.232,1006 5.438,1007 2.592,1009 127.669,1010 5.327,1015 -6.774,1017 42.683,1018 314.913,1019 28,1024 11.828,1028 -1.454,1031 30.007,1032 32.269,1034 0.351,1035 0.651,1036 0.721,1037 0.822,1038 0.866,1039 0.881,1040 4.605,1041 0.742,1042 5.517,1043 2.789,1044 4.111,1045 4.673,1046 2.019,1047 6.385,1048 4.029,1049 5.845,1050 -0.142,1051 7.13,1052 1.684,1053 3.892,1054 4.605,1055 1.22,1056 7.455,1057 3.733,1058 7.175,1059 -0.29,1060 8.848,1061 -0.354,1062 5.759,1063 6.893,1064 2.917,1065 10.593,1066 5.625,1067 8.542,1068 -0.347,1069 10.625,1070 -0.664,1071 6.33,1072 7.596,1073 2.638,1074 12.473,1075 6.133,1076 9.94,1077 -0.347,1078 12.44,1079 -0.757,1080 7.732,1081 9.407,1082 3.984,1083 15.153,1084 7.552,1085 11.36,1086 -1.236,1087 14.28,1088 -0.757,1089 8.646,1090 10.468,1091 4.007,1092 17.347,1093 8.418,1094 12.798,1095 -1.241,1096 16.139,1097 -3.038,1098 9.885,1099 12.078,1100 5.117,1101 19.863,1102 9.659,1103 3.236,1104 -1.349,1105 18.012,1106 -3.093,1107 10.94,1108 13.312,1109 5.332,1110 22.183,1111 10.678,1112 2.954,1113 11.408,1114 19.896,1115 -3.666,1116 12.122,1117 14.826,1118 6.282,1119 24.637,1120 11.851,1121 2.223,1122 10.153,1123 21.787,1124 4.157,1125 13.235,1126 16.146,1127 6.624,1128 27.011,1129 12.937,1130 1.879,1131 6.453,1132 23.685,1133 3.993,1134 14.399,1135 17.611,1136 7.467,1137 29.442,1138 14.086,1139 1.879,1140 5.104,1141 25.587,1142 2.819,1143 15.537,1144 18.974,1145 7.895,1146 31.84,1147 15.2,1148 1.512,1149 5.104,1150 27.493,1151 2.481,1152 16.695,1153 20.414,1154 8.665,1155 34.263,1156 16.342,1157 1.207,1158 3.751,1159 29.402,1160 2.481,1161 17.844,1162 21.8,1163 9.152,1164 36.673,1165 17.47,1166 3185,1167 7141,1168 12.948,1169 19.227,1170 31.852,1171 33.728,1172 34.46,1173 31.525,1174 31.266,1175 41.375,1176 4.582,1177 92.894,1178 29.747,1179 5.382,1180 5.91,1181 6.458,1182 5.217,1183 5.236,1184 7.157,1185 3.376,1186 19.001,1187 5.17,1188 12.468,1189 1.517,1190 1.606,1191 1.641,1192 1.501,1193 1.489,1194 1.97,1195 0.218,1196 4.424,1197 1.417,1198 3.997,1199 4.012,1200 3.971,1201 3.906,1202 8.214,1203 3.917,1204 3.875,1205 3.898,1206 3.844,1207 3.793,1208 8.207,1209 3.799,1210 3.397,1211 3.411,1212 3.326,1213 3.225,1214 8.191,1215 3.244,1216 2.937,1217 2.985,1218 2.913,1219 2.753,1220 8.191,1221 2.761,1222 2.937,1223 2.985,1224 2.913,1225 2.73,1226 7.427,1227 2.753,1228 2.907,1229 2.942,1230 2.821,1231 2.73,1232 6.443,1233 2.753,1234 2.643,1235 2.69,1236 2.574,1237 2.36,1238 4.513,1239 2.399,1240 2.43,1241 2.438,1242 2.34,1243 1.88,1244 4.487,1245 1.987,1246 0.216,1247 0.186,1248 0.329,1249 0.201,1250 0.154,1251 4.539,1252 0.198,1253 3.91,1254 0.088,1255 6.912,1256 0.543,1257 4.217,1258 0.151,1259 3.236,1260 4.157,1261 1.848,1262 11.408,1263 3.17,1264 1.93,1265 1.916,1266 2,1267 2.038,1268 1.137,1269 2.023,1270 1.843,1271 1.822,1272 1.93,1273 1.945,1274 1.015,1275 1.938,1276 1.323,1277 1.304,1278 1.48,1279 1.536,1280 0.588,1281 1.514,1282 0.848,1283 0.816,1284 1.035,1285 1.074,1286 0.101,1287 1.047,1288 0.832,1289 0.787,1290 1.035,1291 1.074,1292 0.072,1293 1.047,1294 0.832,1295 0.787,1296 1.003,1297 1.061,1298 0.072,1299 1.039,1300 0.494,1301 0.455,1302 0.729,1303 0.842,1305 0.799,1306 0.123,1307 0.104,1308 0.476,1309 0.668,1311 0.577,1312 3.761,1314 5.094,1316 6.637,1318 8.279,1320 9.966,1324 53.714,1327 9.69,1332 -2.331,1340 20.124,1341 47.303,1342 87.586,1343 97.096,1344 110.606,1345 116.606,1346 118.606,1347 79.266,1348 6.174,1349 37.3,1350 37.3,1351 12,1352 12.211,1353 3.807,1354 3,1355 36.111,1356 54,1357 42,1358 0.343,1359 122.57,1360 227.62,1361 290.831,1362 3037,1363 14.3,1364 14.861,1365 0.743,1366 0.495,1367 11.38,1368 9.909,1369 9.43,1370 0.449,1371 0.264,1372 5.401,1373 8.856,1374 5.374,1375 4.377,1376 7.788,1377 5.534,1378 8.644,1379 0.288,1380 0.133,1381 6.514,1382 3.999,1383 7.31,1384 0.183,1385 0.068,1386 5.616,1387 2.731,1388 6.189,1389 0.124,1390 0.035,1391 4.179,1392 1.773,1393 3.897,1394 0.075,1395 0.02,1396 3.131,1397 1.029,1398 0.51,1399 61.201,1400 0.278,1401 19.334,1402 1.031,1403 102,1404 604.33,1405 121.531,1406 471.81,1407 585.04,1408 432,1409 121,1410 382.242,1411 139.73,1412 360.62,1413 533.27,1414 339,1415 4}
{0 CHEMBL244427,1 1.689,2 7.3,3 3.546,4 12.571,5 63.462,6 10.151,7 0.571,8 3.476,9 3.542,10 3.246,11 3.045,12 4.949,13 3.093,14 3.938,15 4.022,16 3.647,17 3.376,18 5.495,19 3.44,20 4.26,21 4.387,22 3.884,23 3.424,24 6.2,25 3.526,26 4.236,27 4.371,28 3.72,29 3.248,30 6.108,31 3.376,32 4.127,33 4.262,34 3.59,35 3.114,36 6.158,37 3.231,38 3.916,39 4.064,40 3.376,41 3.011,42 5.785,43 3.088,44 3.767,45 3.94,46 3.248,47 2.84,48 5.604,49 2.926,50 3.57,51 3.761,52 3.039,53 2.471,54 5.663,55 2.583,56 0.322,57 0.669,58 2.162,59 2.822,60 64.974,61 2.168,62 0.558,63 1.064,64 3.784,65 4.491,66 111.33,67 3.514,68 1.214,69 1.539,70 9.903,71 5.975,72 234.047,73 4.944,74 1.27,75 1.142,76 11.251,77 5.571,78 250.331,79 3.997,80 1.315,81 0.899,82 11.261,83 4.823,84 258.508,85 3.403,86 0.91,87 0.847,88 8.688,89 4.138,90 173.938,91 3.387,92 0.793,93 1,94 7.684,95 3.754,96 146.497,97 3.14,98 0.821,99 0.946,100 7.025,101 3.048,102 148.651,103 2.482,104 37,105 30,106 0.327,107 0.605,108 0.726,109 0.875,110 0.916,111 0.93,112 3.058,113 0.791,114 -5.24,115 -5.13,116 -4.8,121 50,129 1,144 6,145 2,146 4,159 1,176 6,180 1,185 1,187 4,192 2,195 1,197 2,200 3,206 2,211 2,214 2,219 2,224 2,227 3,232 1,237 1,239 4,251 3,264 2,277 1,281 452,282 12.88,283 12.88,284 12.88,285 12.88,286 12.88,287 11.125,288 9.43,289 7.3,290 13.068,291 10.217,292 10.217,293 10.217,294 10.217,295 10.217,296 7.673,297 7.717,298 3.349,299 10.645,300 3.118,301 1.679,302 1.054,303 0.286,304 0.071,306 3.705,311 1,312 1,313 298,314 3,318 137.262,325 1.1,326 58.926,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 48,338 146,339 4.499,340 3.883,341 6.789,342 4.173,343 3.191,344 4.118,345 1.848,346 10.943,347 3.131,348 4.318,349 3.405,350 6.451,351 3.894,352 2.942,353 3.984,354 0.443,355 9.752,356 2.789,357 3.782,358 3.23,359 5.82,360 3.419,361 2.471,362 3.095,364 7.544,365 2.316,366 3.315,367 2.617,368 5.249,369 2.929,370 1.975,371 2.569,373 5.946,374 1.862,375 2.875,376 2.191,377 4.559,378 2.395,379 1.414,380 2.039,382 4,383 1.376,384 2.867,385 1.995,386 3.918,387 2.384,388 1.414,389 2.03,391 3.187,392 1.361,393 2.81,394 1.66,395 3.844,396 2.363,397 1.414,398 1.88,400 3.162,401 1.325,402 2.016,403 1.511,404 3.434,405 1.622,406 0.678,407 0.823,409 1.594,410 0.616,411 1.334,412 0.925,413 2.582,414 0.941,415 0.096,416 0.111,418 0.209,419 0.078,420 1.277,421 0.81,422 2.36,423 0.874,429 0.894,430 -0.027,431 2.357,432 0.435,433 -0.532,434 -0.686,436 -1.239,437 -0.488,438 0.81,439 -0.057,440 2.151,441 0.388,442 -0.561,443 -0.745,445 -1.278,446 -0.52,447 0.03,448 -0.33,449 1.826,450 -0.318,451 -1.285,452 -1.481,454 -3.166,455 -1.111,456 -0.042,457 -0.707,458 1.443,459 -0.439,460 -1.328,461 -1.626,463 -3.291,464 -1.149,465 -0.11,466 -0.928,467 1.302,468 -0.487,469 -1.414,470 -1.771,472 -3.651,473 -1.296,474 8.81,475 0.44,476 0.656,477 0.033,478 25.5,479 1.275,480 13.5,481 0.675,482 12,483 0.6,484 13.212,485 0.661,486 22.39,487 0.8,488 21.105,489 1.055,490 5.646,491 0.282,492 3.785,493 0.189,494 0.205,496 0.454,499 4,501 0.611,502 0.754,503 0.55,504 0.863,505 0.638,506 0.779,507 0.725,508 0.964,509 0.666,510 1.128,511 0.743,512 1.018,513 0.826,514 0.973,515 0.757,516 1.096,517 0.831,518 0.996,519 1.231,520 1.073,521 1.172,522 1.066,523 1.243,524 1.046,525 1.15,526 0.888,527 1.22,528 0.835,529 1.163,530 0.941,531 0.989,532 0.954,533 1.047,534 0.912,535 0.986,536 0.979,537 1.096,538 1.198,539 1.044,540 1.047,541 1.073,542 1.023,543 1.172,544 1.278,545 1.186,546 1.114,547 1.127,548 1.13,549 4,551 3.556,552 2.125,553 1.467,554 0.639,555 0.367,556 0.25,557 0.14,558 0.031,559 3153,560 15806,561 1.911,562 28.6,564 7,567 1,572 1.623,573 1.714,574 2.922,575 -0.222,577 1,579 1,582 47.303,583 1.689,584 3.128,585 3.753,586 4.522,587 4.736,588 4.807,589 2.246,590 3.122,591 4.3,592 3.022,593 574.263,594 7.366,595 5789.37,597 1,599 1,600 134.606,601 1.571,602 4.201,603 0.19,605 0.119,606 0.063,607 0.052,608 0.027,609 0.018,610 0.015,611 0.012,612 0.008,613 0.503,614 0.83,615 1,616 0.737,617 86.968,618 -0.039,619 0.034,620 -0.029,621 0.092,622 -0.065,623 0.072,624 -0.062,625 -0.137,626 -0.039,627 -0.179,628 -0.078,629 -0.144,630 0.089,631 -0.041,632 0.147,633 -0.141,634 0.097,635 -0.056,636 -0.187,637 -0.121,638 -0.179,639 -0.122,640 -0.176,641 -0.121,642 -0.051,643 0.053,644 -0.189,645 0.106,646 -0.047,647 -0.02,648 -0.04,649 -0.074,650 -0.04,651 0.038,652 -0.036,653 0.015,654 -0.064,655 -0.115,656 0.024,657 -0.055,658 -0.066,660 0.098,661 0.055,662 0.023,663 -0.089,664 0.098,665 -0.112,666 3.456,667 5.453,668 0.6,669 11.8,670 1.072,671 1.152,672 4.011,673 16.091,674 0.687,675 3.091,676 3.434,677 3.714,678 3.85,679 3.97,680 3.85,681 3.829,682 3.761,683 3.638,684 3.555,685 4.668,686 0.719,687 284.22,688 3.091,689 4.635,690 5.493,691 6.368,692 7.241,693 8.118,694 8.995,695 9.873,696 10.752,697 11.631,715 6,720 6,722 12,727 1,740 4,741 28,743 13,744 2,745 21,747 29,748 14,749 12,750 6,751 6,752 1,756 2,757 2,770 1,772 13,773 1,777 1,782 1,786 1,790 1,791 4,793 8,794 6,795 1,796 6,808 1,809 2,811 1,829 2,857 1,859 2,866 4,868 20,875 1,880 1,892 4,893 7.1,894 1,896 1,901 11.667,902 5.021,903 4.444,904 1.508,907 2.184,908 1.354,909 0.924,910 3.87,911 8.358,912 3.367,913 3.989,914 4.559,915 5.022,916 5.468,917 5.455,918 5.61,919 5.733,920 5.894,921 6.157,922 0.8,923 34,924 7.689,926 3.74,927 0.026,929 9,931 12.731,933 10.274,936 3.5,937 70,941 82.398,942 104.846,945 67.828,946 59.84,948 104.846,949 150.226,950 59.84,953 99.541,954 30.278,955 42.855,956 59.84,957 82.398,959 82.398,960 104.846,961 127.669,964 142.238,965 25.145,966 42.683,969 104.846,972 142.238,973 67.828,974 104.846,977 82.398,978 47.989,979 56.857,981 127.669,982 82.398,983 127.669,984 104.846,986 0.597,987 0.374,988 0.179,989 0.087,990 14,991 8,992 0.103,993 3,995 1,996 3.02,997 147.798,999 12,1000 86.439,1005 14.232,1006 5.438,1007 2.592,1009 127.669,1010 5.686,1015 -6.768,1017 42.683,1018 314.913,1019 28,1024 11.836,1028 -1.258,1031 30.007,1032 32.269,1034 0.351,1035 0.651,1036 0.781,1037 0.941,1038 0.985,1039 1,1040 4.605,1041 0.678,1042 5.517,1043 3.162,1044 4.111,1045 4.673,1046 2.019,1047 6.372,1048 4.029,1049 5.845,1050 0.096,1051 7.13,1052 1.594,1053 3.892,1054 4.605,1055 1.22,1056 7.398,1057 3.733,1058 7.175,1060 8.846,1061 0.209,1062 5.759,1063 6.893,1064 2.917,1065 10.517,1066 5.619,1067 8.542,1068 -0.532,1069 10.617,1071 6.33,1072 7.596,1073 2.638,1074 12.311,1075 6.115,1076 9.938,1077 -0.561,1078 12.421,1079 -1.239,1080 7.722,1081 9.402,1082 3.984,1083 14.978,1084 7.525,1085 11.356,1086 -1.285,1087 14.248,1088 -1.278,1089 8.621,1090 10.452,1091 4.007,1092 17.08,1093 8.367,1094 12.789,1095 -1.328,1096 16.09,1097 -3.166,1098 9.847,1099 12.057,1100 5.117,1101 19.58,1102 9.597,1103 3.191,1104 -1.414,1105 17.943,1106 -3.291,1107 10.882,1108 13.276,1109 5.332,1110 21.822,1111 10.592,1112 2.942,1113 10.943,1114 19.805,1115 -3.651,1116 12.048,1117 14.784,1118 6.282,1119 24.251,1120 11.753,1121 2.471,1122 9.752,1123 21.673,1124 4.118,1125 13.141,1126 16.089,1127 6.624,1128 26.561,1129 12.817,1130 1.975,1131 7.544,1132 23.547,1133 3.984,1134 14.288,1135 17.548,1136 7.467,1137 28.96,1138 13.953,1139 1.414,1140 5.946,1141 25.426,1142 3.095,1143 15.407,1144 18.898,1145 7.895,1146 31.303,1147 15.049,1148 1.414,1149 4,1150 27.308,1151 2.569,1152 16.549,1153 20.331,1154 8.665,1155 33.691,1156 16.177,1157 1.414,1158 3.187,1159 29.193,1160 2.039,1161 17.681,1162 21.705,1163 9.152,1164 36.052,1165 17.29,1166 3277,1167 7409,1168 12.948,1169 19.227,1170 31.631,1171 34.301,1172 34.415,1173 31.275,1174 31.189,1175 41.298,1176 4.582,1177 92.675,1178 29.706,1179 5.334,1180 5.883,1181 6.318,1182 5.173,1183 5.191,1184 7.118,1185 3.376,1186 18.601,1187 5.131,1188 12.638,1189 1.506,1190 1.633,1191 1.639,1192 1.489,1193 1.485,1194 1.967,1195 0.218,1196 4.413,1197 1.415,1198 3.995,1199 4.011,1200 3.967,1201 3.907,1202 8.243,1203 3.916,1204 3.876,1205 3.899,1206 3.847,1207 3.793,1208 8.236,1209 3.799,1210 3.408,1211 3.419,1212 3.357,1213 3.225,1214 8.161,1215 3.249,1216 2.931,1217 2.981,1218 2.88,1219 2.753,1220 8.161,1221 2.762,1222 2.93,1223 2.981,1224 2.873,1225 2.73,1226 7.428,1227 2.751,1228 2.911,1229 2.943,1230 2.844,1231 2.73,1232 6.443,1233 2.751,1234 2.621,1235 2.672,1236 2.546,1237 2.362,1238 4.539,1239 2.387,1240 2.413,1241 2.425,1242 2.314,1243 1.881,1244 4.506,1245 1.978,1246 0.214,1247 0.185,1248 0.323,1249 0.199,1250 0.152,1251 4.499,1252 0.196,1253 3.883,1254 0.088,1255 6.789,1256 0.521,1257 4.173,1258 0.149,1259 3.191,1260 4.118,1261 1.848,1262 10.943,1263 3.131,1264 1.932,1265 1.917,1266 2.006,1267 2.037,1268 1.141,1269 2.024,1270 1.843,1271 1.822,1272 1.93,1273 1.945,1274 1.017,1275 1.938,1276 1.316,1277 1.299,1278 1.462,1279 1.537,1280 0.568,1281 1.507,1282 0.85,1283 0.816,1284 1.05,1285 1.074,1286 0.13,1287 1.046,1288 0.829,1289 0.786,1290 1.002,1291 1.074,1292 0.037,1293 1.042,1294 0.828,1295 0.786,1296 0.977,1297 1.061,1298 0.017,1299 1.039,1300 0.517,1301 0.467,1302 0.793,1303 0.838,1305 0.823,1306 0.137,1307 0.112,1308 0.498,1309 0.664,1311 0.598,1312 3.761,1314 5.094,1316 6.637,1318 8.271,1320 9.945,1324 52.909,1327 9.718,1332 -2.123,1340 20.124,1341 47.303,1342 87.586,1343 105.096,1344 126.606,1345 132.606,1346 134.606,1347 77.287,1348 6.174,1349 37.3,1350 37.3,1351 12,1352 12.167,1353 3.807,1354 3,1355 36.218,1356 56,1357 44,1358 0.33,1359 122.57,1360 227.62,1361 290.831,1362 3037,1363 14.3,1364 14.861,1365 0.743,1366 0.495,1367 11.38,1368 9.909,1369 9.43,1370 0.449,1371 0.264,1372 5.401,1373 8.874,1374 5.372,1375 4.381,1376 7.788,1377 5.534,1378 8.581,1379 0.286,1380 0.134,1381 6.514,1382 4.011,1383 7.72,1384 0.193,1385 0.069,1386 5.616,1387 2.741,1388 5.51,1389 0.12,1390 0.037,1391 4.179,1392 1.714,1393 3.973,1394 0.076,1395 0.02,1396 3.131,1397 1.041,1398 0.496,1399 61.201,1400 0.278,1401 19.462,1402 0.973,1403 102,1404 604.33,1405 121.531,1406 472.042,1407 585.18,1408 432,1409 121,1410 382.242,1411 141.571,1412 361.239,1413 534.91,1414 339,1415 4}
{0 CHEMBL244428,1 1.689,2 7.3,3 3.546,4 12.571,5 63.462,6 10.151,7 0.571,8 3.476,9 3.542,10 3.246,11 3.045,12 4.947,13 3.093,14 3.938,15 4.022,16 3.647,17 3.376,18 5.533,19 3.44,20 4.253,21 4.384,22 3.787,23 3.424,24 5.979,25 3.517,26 4.236,27 4.371,28 3.72,29 3.248,30 6.087,31 3.376,32 4.136,33 4.265,34 3.707,35 3.114,36 6.346,37 3.242,38 3.916,39 4.064,40 3.376,41 3.011,42 5.785,43 3.088,44 3.767,45 3.94,46 3.248,47 2.84,48 5.604,49 2.926,50 3.57,51 3.761,52 3.039,53 2.471,54 5.663,55 2.583,56 0.322,57 0.669,58 2.162,59 2.822,60 64.752,61 2.168,62 0.558,63 1.064,64 3.784,65 4.491,66 106.759,67 3.514,68 1.086,69 1.309,70 9.902,71 5.967,72 210.759,73 4.65,74 1.27,75 1.142,76 11.251,77 5.571,78 254.902,79 3.997,80 1.443,81 1.129,82 11.262,83 4.831,84 282.018,85 3.697,86 0.91,87 0.847,88 8.688,89 4.138,90 173.938,91 3.387,92 0.793,93 1,94 7.684,95 3.754,96 146.497,97 3.14,98 0.821,99 0.946,100 7.025,101 3.048,102 148.651,103 2.482,104 37,105 30,106 0.327,107 0.605,108 0.698,109 0.847,110 0.916,111 0.93,112 3.058,113 0.789,114 -5.24,115 -5.13,116 -4.8,121 50,129 1,144 6,145 2,146 4,159 1,176 4,180 1,185 1,187 4,192 2,195 1,197 2,200 5,206 2,211 2,214 2,219 2,224 2,227 3,232 1,237 1,239 4,251 3,264 2,277 1,281 460,282 12.776,283 12.776,284 12.776,285 12.776,286 12.776,287 11.075,288 11.535,289 7.29,290 13.004,291 10.269,292 10.269,293 10.269,294 10.269,295 10.269,296 7.728,297 9.446,298 3.426,299 10.729,300 3.118,301 1.679,302 1.197,303 0.429,304 0.071,306 3.705,311 1,312 1,313 298,314 3,318 137.262,325 1.1,326 58.736,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 48,338 146,339 4.46,340 3.872,341 6.728,342 4.149,343 3.161,344 4.055,345 1.848,346 10.756,347 3.119,348 4.233,349 3.249,350 6.255,351 3.814,352 2.848,353 3.887,354 0.443,355 9.218,356 2.74,357 3.683,358 2.998,359 5.374,360 3.289,361 2.332,362 3.02,364 6.496,365 2.215,366 3.447,367 2.749,368 4.934,369 3.016,370 2.095,371 2.761,373 5.703,374 1.909,375 3.298,376 2.701,377 4.892,378 2.871,379 1.955,380 2.533,382 5.423,383 1.76,384 2.909,385 2.302,386 4.468,387 2.499,388 1.531,389 2.047,391 4.125,392 1.463,393 2.56,394 1.404,395 3.945,396 2.079,397 1.077,398 1.552,400 2.88,401 1.075,402 1.955,403 1.149,404 3.295,405 1.523,406 0.541,407 0.71,409 1.264,410 0.518,411 1.361,412 0.848,413 2.557,414 0.95,415 0.083,416 0.099,418 0.179,419 0.069,420 1.294,421 0.838,422 2.368,423 0.882,429 0.689,430 -0.034,431 2.365,432 0.228,433 -0.762,434 -0.922,436 -2.023,437 -0.674,438 0.615,439 -0.071,440 2.15,441 0.182,442 -0.773,443 -0.99,445 -2.023,446 -0.7,447 0.207,448 -0.313,449 1.827,450 -0.164,451 -1,452 -1.242,454 -2.562,455 -0.865,456 0.184,457 -0.602,458 1.453,459 -0.171,460 -1,461 -1.276,463 -2.579,464 -0.878,465 -0.071,466 -0.823,467 1.324,468 -0.365,469 -1.349,470 -1.682,472 -3.691,473 -1.313,474 8.81,475 0.44,476 0.689,477 0.034,478 25.5,479 1.275,480 13.5,481 0.675,482 12,483 0.6,484 13.134,485 0.657,486 22.39,487 0.8,488 21.023,489 1.051,490 5.616,491 0.281,492 3.781,493 0.189,494 0.205,496 0.454,499 4,501 0.611,502 0.754,503 0.55,504 0.863,505 0.639,506 0.779,507 0.725,508 0.964,509 0.666,510 1.128,511 0.712,512 1.018,513 1.078,514 1.077,515 1.017,516 1.097,517 1.075,518 1.043,519 1.231,520 1.073,521 1.172,522 1.066,523 1.267,524 1.046,525 0.848,526 0.763,527 0.908,528 0.834,529 0.87,530 0.885,531 0.989,532 0.954,533 1.047,534 0.912,535 0.986,536 0.979,537 1.096,538 1.198,539 1.044,540 1.047,541 1.073,542 1.023,543 1.172,544 1.278,545 1.186,546 1.114,547 1.127,548 1.13,549 5,551 3.111,552 1.875,553 1.627,554 0.639,555 0.367,556 0.25,557 0.14,558 0.031,559 3169,560 16062,561 1.911,562 28.6,564 7,567 1,572 1.623,573 1.714,574 2.925,575 -0.222,577 1,579 1,582 47.303,583 1.689,584 3.128,585 3.611,586 4.379,587 4.736,588 4.807,589 2.246,590 2.922,591 4.298,592 3.027,593 575.065,594 7.367,595 5819.92,597 1,599 1,600 134.606,601 1.571,602 4.201,603 0.238,605 0.104,606 0.059,607 0.058,608 0.025,609 0.018,610 0.015,611 0.012,612 0.008,613 0.536,614 0.83,615 1,616 0.737,617 87.056,618 -0.039,619 0.034,620 -0.029,621 0.092,622 -0.066,623 0.072,624 -0.062,625 -0.137,626 -0.039,627 -0.179,628 -0.046,629 -0.144,630 -0.172,631 -0.149,632 -0.123,633 -0.142,634 -0.156,635 -0.105,636 -0.187,637 -0.121,638 -0.179,639 -0.122,640 -0.202,641 -0.121,642 0.261,643 0.182,644 0.135,645 0.107,646 0.257,647 0.038,648 -0.04,649 -0.074,650 -0.04,651 0.038,652 -0.036,653 0.015,654 -0.064,655 -0.115,656 0.024,657 -0.055,658 -0.066,660 0.098,661 0.055,662 0.023,663 -0.089,664 0.098,665 -0.112,666 3.456,667 5.429,668 0.6,669 12.2,670 1.072,671 1.152,672 4.011,673 16.091,674 0.687,675 3.091,676 3.434,677 3.664,678 3.85,679 4.043,680 3.85,681 3.784,682 3.761,683 3.638,684 3.555,685 4.686,686 0.719,687 284.22,688 3.091,689 4.635,690 5.476,691 6.354,692 7.217,693 8.094,694 8.965,695 9.841,696 10.714,697 11.591,715 6,720 6,722 12,727 1,740 4,741 28,743 13,744 2,745 21,747 29,748 14,749 12,750 6,751 6,752 1,756 2,757 2,770 1,772 13,773 1,777 1,782 1,786 1,790 1,791 4,793 8,794 6,795 1,796 6,808 1,809 2,811 1,829 2,857 1,859 2,866 4,868 20,875 1,880 1,892 4,893 7.1,894 1,896 1,901 11.667,902 5.021,903 4.389,904 1.494,907 2.183,908 1.354,909 0.924,910 3.87,911 8.357,912 3.367,913 3.989,914 4.527,915 5.022,916 5.523,917 5.455,918 5.553,919 5.733,920 5.894,921 6.157,922 0.8,923 32,924 7.649,926 3.672,927 0.026,929 9,931 12.731,933 10.265,936 3.5,937 70,941 82.398,942 104.846,945 67.828,946 59.84,948 104.846,949 150.226,950 59.84,953 99.541,954 30.278,955 42.855,956 59.84,957 82.398,959 82.398,960 104.846,961 127.669,964 142.238,965 25.145,966 42.683,969 104.846,972 142.238,973 67.828,974 104.846,977 82.398,978 47.989,979 56.857,981 127.669,982 82.398,983 127.669,984 104.846,986 0.596,987 0.352,988 0.178,989 0.103,990 14,991 8,992 0.103,993 3,995 1,996 3.036,997 147.071,999 12,1000 86.439,1005 14.232,1006 5.438,1007 2.89,1009 127.669,1010 4.23,1015 -5.217,1017 42.683,1018 314.913,1019 28,1024 11.836,1028 -1.258,1031 30.007,1032 32.269,1034 0.351,1035 0.651,1036 0.751,1037 0.911,1038 0.985,1039 1,1040 4.605,1041 0.541,1042 5.501,1043 2.88,1044 4.111,1045 4.673,1046 2.019,1047 6.33,1048 4.029,1049 5.845,1050 0.083,1051 7.091,1052 1.264,1053 3.892,1054 4.605,1055 1.22,1056 7.29,1057 3.733,1058 7.168,1060 8.778,1061 0.179,1062 5.733,1063 6.875,1064 2.917,1065 10.386,1066 5.604,1067 8.524,1068 -0.762,1069 10.52,1071 6.256,1072 7.526,1073 2.638,1074 12.127,1075 6.071,1076 9.906,1077 -0.773,1078 12.295,1079 -2.023,1080 7.644,1081 9.336,1082 3.984,1083 14.782,1084 7.483,1085 11.306,1086 -1,1087 14.095,1088 -2.023,1089 8.497,1090 10.326,1091 4.007,1092 16.858,1093 8.301,1094 12.721,1095 -1,1096 15.914,1097 -2.562,1098 9.72,1099 11.936,1100 5.117,1101 19.343,1102 9.534,1103 3.161,1104 -1.349,1105 17.747,1106 -2.579,1107 10.724,1108 13.103,1109 5.332,1110 21.571,1111 10.516,1112 2.848,1113 10.756,1114 19.592,1115 -3.691,1116 11.885,1117 14.612,1118 6.282,1119 23.985,1120 11.677,1121 2.332,1122 9.218,1123 21.446,1124 4.055,1125 12.959,1126 15.876,1127 6.624,1128 26.283,1129 12.735,1130 2.095,1131 6.496,1132 23.307,1133 3.887,1134 14.099,1135 17.33,1136 7.467,1137 28.668,1138 13.87,1139 1.955,1140 5.703,1141 25.175,1142 3.02,1143 15.205,1144 18.648,1145 7.895,1146 31,1147 14.963,1148 1.531,1149 5.423,1150 27.047,1151 2.761,1152 16.339,1153 20.073,1154 8.665,1155 33.373,1156 16.09,1157 1.077,1158 4.125,1159 28.924,1160 2.533,1161 17.461,1162 21.42,1163 9.152,1164 35.722,1165 17.2,1166 3291,1167 7471,1168 12.948,1169 19.227,1170 31.812,1171 34.065,1172 34.068,1173 31.409,1174 31.243,1175 41.331,1176 4.582,1177 92.084,1178 29.735,1179 5.297,1180 5.872,1181 6.051,1182 5.149,1183 5.161,1184 7.055,1185 3.376,1186 18.239,1187 5.119,1188 12.719,1189 1.515,1190 1.622,1191 1.622,1192 1.496,1193 1.488,1194 1.968,1195 0.218,1196 4.385,1197 1.416,1198 3.994,1199 4.01,1200 3.965,1201 3.907,1202 8.209,1203 3.916,1204 3.875,1205 3.898,1206 3.843,1207 3.793,1208 8.203,1209 3.799,1210 3.407,1211 3.419,1212 3.354,1213 3.225,1214 8.196,1215 3.249,1216 2.964,1217 3,1218 2.969,1219 2.753,1220 8.196,1221 2.777,1222 2.94,1223 2.986,1224 2.924,1225 2.73,1226 7.428,1227 2.753,1228 2.879,1229 2.925,1230 2.761,1231 2.73,1232 6.443,1233 2.737,1234 2.609,1235 2.665,1236 2.471,1237 2.362,1238 4.477,1239 2.385,1240 2.409,1241 2.423,1242 2.284,1243 1.881,1244 4.441,1245 1.978,1246 0.212,1247 0.184,1248 0.32,1249 0.198,1250 0.151,1251 4.46,1252 0.193,1253 3.872,1254 0.088,1255 6.728,1256 0.512,1257 4.149,1258 0.149,1259 3.161,1260 4.055,1261 1.848,1262 10.756,1263 3.119,1264 1.931,1265 1.917,1266 2.002,1267 2.037,1268 1.14,1269 2.024,1270 1.842,1271 1.822,1272 1.925,1273 1.945,1274 1.015,1275 1.937,1276 1.315,1277 1.299,1278 1.462,1279 1.537,1280 0.567,1281 1.506,1282 0.873,1283 0.825,1284 1.126,1285 1.077,1286 0.191,1287 1.079,1288 0.833,1289 0.788,1290 1.052,1291 1.074,1292 0.092,1293 1.05,1294 0.807,1295 0.778,1296 0.913,1297 1.059,1299 1.008,1300 0.511,1301 0.465,1302 0.761,1303 0.838,1305 0.814,1306 0.137,1307 0.112,1308 0.511,1309 0.664,1311 0.597,1312 3.761,1314 5.094,1316 6.621,1318 8.237,1320 9.898,1324 52.815,1327 9.718,1332 -2.123,1340 20.124,1341 47.303,1342 87.586,1343 101.096,1344 122.606,1345 132.606,1346 134.606,1347 80.777,1348 6.174,1349 37.3,1350 37.3,1351 12,1352 12.129,1353 3.807,1354 3,1355 36.194,1356 56,1357 46,1358 0.329,1359 122.57,1360 227.62,1361 290.831,1362 3037,1363 14.3,1364 14.861,1365 0.743,1366 0.495,1367 11.38,1368 9.909,1369 9.397,1370 0.447,1371 0.263,1372 5.389,1373 8.81,1374 5.357,1375 4.359,1376 7.788,1377 5.522,1378 8.837,1379 0.295,1380 0.135,1381 6.514,1382 4.057,1383 7.221,1384 0.19,1385 0.071,1386 5.616,1387 2.695,1388 5.398,1389 0.117,1390 0.037,1391 4.179,1392 1.699,1393 4.548,1394 0.081,1395 0.019,1396 3.131,1397 1.08,1398 0.494,1399 60.999,1400 0.278,1401 19.488,1402 0.968,1403 102,1404 604.33,1405 121.531,1406 472.116,1407 583.82,1408 432,1409 119,1410 380.242,1411 136.566,1412 358.961,1413 526.15,1414 337,1415 4}
{0 CHEMBL24457,1 1.404,2 11.371,3 1.244,4 1.548,5 128.251,6 7.233,7 0.154,8 4.313,9 4.403,10 3.838,11 3.819,12 5.413,13 3.808,14 4.919,15 5.058,16 4.324,17 4.31,18 5.964,19 4.289,20 5.321,21 5.465,22 4.597,23 4.627,24 6.397,25 4.59,26 5.634,27 5.83,28 4.669,29 4.762,30 6.802,31 4.687,32 5.695,33 5.926,34 4.547,35 4.721,36 6.762,37 4.62,38 5.591,39 5.829,40 4.445,41 4.522,42 6.743,43 4.451,44 5.334,45 5.521,46 4.287,47 4.278,48 6.711,49 4.239,50 5.039,51 5.243,52 3.978,53 4.084,54 6.195,55 4.021,56 0.131,57 0.87,58 14.736,59 7.228,60 26.998,61 8.627,62 0.437,63 1.514,64 29.145,65 12.656,66 70.248,67 15.701,68 0.66,69 2.197,70 44.301,71 18.355,72 101.578,73 22.914,74 1.567,75 2.787,76 65.403,77 23.549,78 235.47,79 31.049,80 1.434,81 2.859,82 71.81,83 24.332,84 227.311,85 33.047,86 1.589,87 2.434,88 67.055,89 20.454,90 246.338,91 27.602,92 2.035,93 1.831,94 52.059,95 15.001,96 264.983,97 19.022,98 0.786,99 1.46,100 37.078,101 12.185,102 113.973,103 15.795,104 86,105 63,106 0.223,107 0.588,108 0.8,109 0.882,110 0.901,111 0.901,112 3.59,113 0.925,114 -3.37,115 -3.36,116 -3.21,121 40.3,122 3,123 3,124 2,125 2,126 1,127 1,129 2,132 1,137 1,138 1,140 2,144 4,145 1,146 1,158 1,160 1,176 12,179 1,180 12,185 4,187 20,192 7,195 1,197 8,200 19,205 5,206 15,210 1,211 7,214 15,218 1,219 13,222 1,224 10,227 10,232 13,236 2,237 1,239 8,243 2,244 11,247 6,249 5,251 9,256 3,261 2,264 10,268 1,269 3,272 4,274 3,277 12,281 1804,282 22.871,283 22.871,284 22.871,285 22.871,286 22.871,287 21.534,288 24.648,289 12.31,290 23.295,291 18.953,292 18.953,293 18.953,294 18.953,295 18.953,296 16.695,297 30.008,298 5.535,299 19.588,300 4.662,301 2.368,302 1.038,303 0.523,304 0.403,305 0.403,306 4.284,312 1,313 864,314 4.062,318 340.904,322 304.71,325 1.925,326 68.31,329 1,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.98,337 78,338 398,339 4.943,340 4.162,341 8.34,342 4.903,343 3.915,344 4.152,345 1.674,346 16.653,347 3.871,348 4.592,349 3.765,350 7.829,351 4.482,352 3.506,353 3.87,354 1.277,355 14.37,356 3.421,357 4.361,358 3.609,359 7.197,360 4.057,361 3.081,362 3.709,363 0.86,364 11.79,365 3.005,366 4.142,367 3.36,368 6.74,369 3.946,370 2.97,371 3.407,372 0.86,373 10.839,374 2.884,375 3.98,376 3.03,377 6.167,378 3.764,379 2.777,380 3.021,382 9.117,383 2.735,384 3.678,385 2.989,386 5.843,387 3.28,388 2.33,389 2.96,391 7.062,392 2.206,393 3.295,394 2.703,395 5.311,396 3.021,397 2.035,398 2.405,400 6.592,401 1.994,402 3.264,403 2.521,404 5.224,405 2.905,406 1.955,407 2.349,409 5.932,410 1.839,411 2.932,412 2.16,413 5.073,414 2.803,415 1.821,416 1.976,418 5.221,419 1.768,420 2.864,421 1.934,422 4.758,423 2.525,424 1.568,425 1.902,427 4.418,428 1.488,429 2.62,430 1.734,431 4.342,432 2.357,433 1.388,434 1.619,436 3.767,437 1.333,438 2.571,439 1.254,440 4.23,441 2.053,442 1.069,443 1.545,445 2.539,446 1.046,447 1.794,448 1.193,449 3.906,450 1.71,451 0.786,452 0.788,454 2.044,455 0.717,456 1.583,457 1.131,458 3.489,459 1.406,460 0.44,461 0.481,463 1.12,464 0.419,465 1.535,466 0.936,467 3.437,468 1.293,469 0.426,470 0.451,472 0.622,473 0.366,474 16.167,475 0.462,476 1.354,477 0.039,478 34.75,479 0.993,480 12.5,481 0.357,482 22.25,483 0.636,484 47.915,485 1.369,486 40.233,487 0.6,488 31.922,489 0.912,490 6.204,491 0.177,492 10.286,493 0.294,494 0.227,495 0.093,496 0.34,501 0.837,502 1.155,503 0.82,504 1.13,505 0.799,506 0.997,507 0.816,508 0.994,509 0.751,510 0.972,511 0.676,512 0.866,513 0.942,514 1.206,515 0.966,516 1.192,517 0.815,518 1.102,519 0.87,520 1.091,521 0.987,522 1.094,523 0.92,524 1.073,525 0.95,526 1.034,527 0.98,528 1.033,529 1.072,530 1.017,531 1.205,532 0.867,533 0.944,534 0.851,535 1.306,536 0.836,537 1.493,538 0.821,539 1.204,540 0.823,541 1.531,542 0.923,543 1.323,544 0.997,545 1.102,546 0.986,547 1.43,548 0.989,549 11,550 0.243,551 7.111,552 5.438,553 4.818,554 2.576,555 1.464,556 0.911,557 0.587,558 0.364,559 15177,560 40736,561 2.017,562 47.8,563 9,564 12,567 3,568 1,569 7,572 1.772,573 1.803,574 3.412,575 0.792,582 94.046,583 1.404,584 3.698,585 5.028,586 5.543,587 5.663,588 5.663,589 2.981,590 4.901,591 5.096,592 3.584,593 2132.26,594 8.979,595 30096.9,600 406.428,601 1.862,602 4.999,603 0.282,604 0.01,605 0.113,606 0.069,607 0.061,608 0.038,609 0.024,610 0.018,611 0.015,612 0.011,613 0.641,614 0.5,615 0.75,616 0.886,617 183.14,618 -0.078,619 0.049,620 0.028,621 0.056,622 -0.104,623 0.066,625 0.131,626 0.145,627 0.144,628 0.012,629 0.174,630 -0.055,631 -0.107,632 -0.051,633 -0.103,634 -0.025,635 -0.08,636 0.083,637 -0.081,638 -0.02,639 -0.085,640 0.07,641 -0.079,642 -0.023,643 -0.072,644 0.006,645 -0.065,646 -0.042,647 -0.029,648 -0.069,649 0.052,650 0.098,651 0.069,652 -0.068,653 0.116,654 0.012,655 0.114,656 -0.114,657 0.088,658 0.016,659 -0.023,660 -0.188,661 -0.026,662 -0.088,663 -0.022,664 -0.173,665 -0.029,666 2.534,667 7.016,668 0.686,669 34.682,670 1.011,671 1.124,672 2.142,673 4.589,674 0.639,675 3.689,676 4.159,677 4.554,678 4.905,679 5.226,680 5.468,681 5.656,682 5.864,683 6.08,684 6.215,685 6.498,686 0.614,687 484.59,688 3.689,689 5.323,690 6.252,691 7.219,692 8.169,693 9.144,694 10.102,695 11.083,696 12.046,697 13.031,715 4,720 2,722 6,739 1,741 67,743 10,744 1,745 39,747 71,748 27,749 6,750 2,751 4,752 6,756 5,757 11,763 4,764 2,766 2,767 5,768 3,770 5,772 12,773 15,774 3,777 4,782 2,784 1,786 5,793 32,794 8,795 3,796 8,808 0.4,809 8,810 1,811 2,829 5,833 3,841 1,846 1,849 3,850 1,857 3,858 1,859 2,864 4,868 35,875 3,876 4,878 3,880 4,882 3,893 11.9,894 3,896 2,897 1,898 2,901 19.417,902 12.933,903 7.431,904 3.997,907 1.759,908 1.198,909 0.865,910 5.721,911 10.657,912 3.85,913 4.437,914 4.978,915 5.494,916 5.957,917 6.284,918 6.632,919 6.97,920 7.349,921 7.64,922 0.875,923 79,924 13.358,926 6.399,927 0.026,929 7.993,931 24.784,933 22.289,936 2.493,937 87.25,941 341.362,942 126.77,945 211.34,948 126.77,949 552.702,951 37.359,952 7.604,953 175.431,954 84.101,955 33.614,957 341.362,959 341.362,960 126.77,961 211.34,964 258.964,965 154.687,966 139.05,968 34.079,969 72.727,970 19.963,972 341.362,973 211.34,974 126.77,977 341.362,978 42.03,979 84.74,981 211.34,982 341.362,983 211.34,984 126.77,986 0.616,987 0.397,988 0.214,989 0.117,990 35,991 17,992 0.042,993 3,994 3,995 1.25,996 4.041,997 384.523,998 0.25,999 24,1000 179.525,1005 24.51,1006 8.17,1007 3.356,1009 211.34,1010 6.997,1015 1.17,1017 128.05,1018 679.471,1019 46,1024 27.158,1026 1.522,1028 -1.073,1031 67.756,1032 75.318,1034 0.231,1035 0.61,1036 0.829,1037 0.914,1038 0.934,1039 0.934,1040 5.223,1041 1.955,1042 6.361,1043 6.592,1044 4.844,1045 5.124,1046 2.552,1047 7.403,1048 4.787,1049 6.485,1050 1.821,1051 8.085,1052 5.932,1053 4.934,1054 5.215,1056 9.018,1057 4.87,1058 7.876,1059 1.568,1060 9.929,1061 5.221,1062 6.746,1063 7.266,1064 3.188,1065 12.191,1066 6.655,1067 9.298,1068 1.388,1069 11.844,1070 4.418,1071 7.606,1072 8.071,1074 14.577,1075 7.508,1076 10.752,1077 1.069,1078 13.806,1079 3.767,1080 9.028,1081 9.712,1082 4.014,1083 17.432,1084 8.912,1085 12.228,1086 0.786,1087 15.8,1088 2.539,1089 10.177,1090 10.811,1092 20.074,1093 10.052,1094 13.72,1095 0.44,1096 17.817,1097 2.044,1098 11.505,1099 12.308,1100 4.941,1101 22.862,1102 11.367,1103 3.915,1104 0.426,1105 19.852,1106 1.12,1107 12.761,1108 13.544,1110 25.594,1111 12.614,1112 3.506,1113 16.653,1114 21.899,1115 0.622,1116 14.077,1117 14.982,1118 5.917,1119 28.375,1120 13.919,1121 3.081,1122 14.37,1123 23.957,1124 4.152,1125 15.377,1126 16.288,1128 31.143,1129 15.21,1130 2.97,1131 11.79,1132 26.024,1133 3.87,1134 16.699,1135 17.701,1136 6.918,1137 33.929,1138 16.522,1139 2.777,1140 10.839,1141 28.097,1142 3.709,1143 18.021,1144 19.045,1146 36.713,1147 17.835,1148 2.33,1149 9.117,1150 30.175,1151 3.407,1152 19.353,1153 20.448,1154 7.932,1155 39.506,1156 19.157,1157 2.035,1158 7.062,1159 32.258,1160 3.021,1161 20.687,1162 21.815,1164 42.299,1165 20.482,1166 14552,1167 23954,1168 24.561,1169 42.818,1170 61.41,1171 64.751,1172 67.116,1173 60.499,1174 60.643,1175 69.789,1176 9.344,1177 205.159,1178 58.646,1179 5.943,1180 6.162,1181 7.929,1182 6.005,1183 5.915,1184 7.152,1185 3.349,1186 26.176,1187 5.871,1188 22.726,1189 1.575,1190 1.66,1191 1.721,1192 1.551,1193 1.555,1194 1.789,1195 0.24,1196 5.26,1197 1.504,1198 4.109,1199 4.128,1200 4.053,1201 4.014,1202 7.445,1203 4.018,1204 3.943,1205 3.96,1206 3.886,1207 3.869,1208 7.413,1209 3.87,1210 3.805,1211 3.818,1212 3.747,1213 3.684,1214 6.466,1215 3.697,1216 3.598,1217 3.621,1218 3.512,1219 3.455,1220 6.448,1221 3.462,1222 3.452,1223 3.512,1224 3.304,1225 3.301,1226 6.439,1227 3.29,1228 3.281,1229 3.329,1230 3.167,1231 3.086,1232 4.909,1233 3.098,1234 3.242,1235 3.312,1236 3.064,1237 3.054,1238 4.731,1239 3.042,1240 3.201,1241 3.256,1242 3.039,1243 2.954,1244 4.47,1245 2.958,1246 0.127,1247 0.107,1248 0.214,1249 0.126,1250 0.1,1251 4.943,1252 0.106,1253 4.162,1254 0.043,1255 8.34,1256 0.427,1257 4.903,1258 0.099,1259 3.915,1260 4.152,1261 1.674,1262 16.653,1263 3.871,1264 2.045,1265 2.024,1266 2.179,1267 2.16,1268 1.637,1269 2.165,1270 1.922,1271 1.906,1272 2.015,1273 2.021,1274 1.224,1275 2.017,1276 1.756,1277 1.741,1278 1.894,1279 1.907,1280 1.111,1281 1.901,1282 1.554,1283 1.527,1284 1.736,1285 1.732,1286 1.039,1287 1.72,1288 1.455,1289 1.396,1290 1.699,1291 1.653,1292 0.854,1293 1.682,1294 1.247,1295 1.18,1296 1.587,1297 1.512,1298 0.782,1299 1.53,1300 1.219,1301 1.168,1302 1.567,1303 1.481,1304 0.699,1305 1.516,1306 1.169,1307 1.098,1308 1.511,1309 1.424,1310 0.573,1311 1.448,1312 4.369,1314 5.802,1316 7.459,1318 9.224,1320 11.05,1322 6.998,1327 32.313,1328 0.877,1330 17.184,1332 -3.009,1334 -2.887,1340 41.147,1341 94.046,1342 247.76,1343 336.879,1344 371.408,1345 379.408,1346 379.408,1347 117.635,1348 8.898,1349 126.43,1350 126.43,1351 30,1352 13.503,1353 3.459,1354 3,1355 52.03,1356 140,1357 162,1358 0.195,1359 244.275,1360 454.8,1361 587.791,1362 90778,1364 25.336,1365 0.724,1366 0.583,1367 25.336,1368 20.407,1369 16.49,1370 0.423,1371 0.308,1372 11.839,1373 15.762,1374 11.442,1375 9.369,1376 16.49,1377 12.021,1378 16.288,1379 0.259,1380 0.174,1381 16.288,1382 10.981,1383 15.115,1384 0.161,1385 0.097,1386 15.115,1387 9.112,1388 13.058,1389 0.097,1390 0.053,1391 13.058,1392 7.102,1393 10.667,1394 0.058,1395 0.028,1396 10.667,1397 5.24,1398 0.295,1399 104.651,1400 0.202,1401 31.096,1402 0.569,1403 204,1404 599.127,1405 226.033,1406 554.012,1407 743.79,1408 516,1409 259,1410 534.424,1411 282.034,1412 535.756,1413 804.88,1414 502,1415 4.032}
{0 CHEMBL244619,1 1.514,2 13.2,3 4.93,4 24.304,5 116.481,6 8.009,7 0.545,8 4.017,9 4.112,10 3.649,11 3.612,12 5.22,13 3.598,14 4.516,15 4.652,16 3.997,17 3.997,18 5.799,19 3.97,20 4.753,21 4.91,22 4.057,23 4.145,24 5.888,25 4.086,26 4.91,27 5.135,28 3.974,29 4.092,30 6.005,31 4.017,32 4.762,33 4.953,34 3.906,35 4.013,36 5.939,37 3.947,38 4.739,39 4.955,40 3.777,41 3.95,42 5.873,43 3.854,44 4.556,45 4.777,46 3.686,47 3.844,48 5.59,49 3.748,50 4.499,51 4.695,52 3.671,53 3.728,54 5.89,55 3.66,56 0.125,57 0.66,58 8.542,59 4.507,60 7.127,61 5.407,62 0.341,63 1.075,64 16.214,65 7.345,66 48.796,67 8.937,68 0.153,69 1.332,70 21.179,71 10.016,72 24.721,73 12.424,74 0.441,75 1.512,76 30.761,77 11.624,78 65.973,79 14.966,80 0.387,81 1.301,82 24.551,83 9.863,84 52.249,85 12.173,86 0.547,87 1.238,88 25.776,89 10.179,90 76.436,91 13.116,92 0.2,93 1.077,94 20.284,95 8.692,96 30.053,97 11.759,98 0.522,99 0.997,100 19.358,101 7.475,102 85.243,103 9.559,104 18,105 46,106 0.251,107 0.541,108 0.681,109 0.796,110 0.825,111 0.832,112 3.44,113 0.867,114 -5.92,115 -5.78,116 -5.38,121 48,126 1,127 2,137 1,138 1,144 12,145 4,146 2,160 1,168 2,176 17,179 2,180 8,187 19,192 16,200 15,206 15,214 9,218 1,219 11,227 11,231 2,232 6,239 14,243 1,244 5,251 15,255 4,256 7,264 12,269 6,277 8,281 1536,282 20.17,283 20.17,284 20.17,285 20.17,286 20.17,287 17.431,288 21.149,289 11.914,290 20.417,291 16.31,292 16.31,293 16.31,294 16.31,295 16.31,296 12.18,297 26.454,298 5.707,299 16.687,300 4.13,301 2.376,302 1.531,303 0.83,304 0.655,305 0.615,306 4.137,311 1,312 1,313 859,314 3.464,318 383.207,322 146.787,325 2.147,326 31.68,329 0.75,330 0.83,331 1,332 0.6,334 1,335 1,336 0.74,337 65,338 396,339 4.494,340 3.786,341 6.539,342 4.107,343 3.125,344 4.154,345 2.612,346 10.325,347 3.067,348 4.249,349 3.72,350 6.146,351 3.809,352 2.824,353 3.864,354 1.674,355 9.017,356 2.776,357 3.994,358 3.042,359 5.794,360 3.647,361 2.678,362 3.525,363 0.995,364 7.784,365 2.598,366 3.92,367 2.882,368 5.575,369 3.496,370 2.517,371 3.453,372 0.359,373 7.63,374 2.469,375 3.77,376 2.731,377 5.346,378 3.363,379 2.382,380 3.175,382 6.962,383 2.325,384 3.358,385 2.501,386 5.018,387 2.998,388 2.028,389 2.552,391 5.678,392 1.954,393 3.139,394 2.121,395 4.648,396 2.802,397 1.835,398 2.262,400 5.012,401 1.759,402 2.994,403 1.964,404 4.507,405 2.559,406 1.577,407 2.151,409 4.504,410 1.543,411 2.914,412 1.695,413 3.794,414 2.374,415 1.384,416 2.013,418 2.994,419 1.368,420 2.772,421 1.491,422 3.665,423 2.226,424 1.234,425 1.849,427 2.921,428 1.221,429 2.5,430 1.111,431 3.565,432 2,433 1,434 1.5,436 2.278,437 1,438 2.5,439 1,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.448,448 1,449 3.247,450 1.846,451 0.852,452 1.276,454 2.136,455 0.841,456 1.456,457 1,458 2.938,459 1.117,460 0.134,461 0.161,463 0.344,464 0.13,465 1.291,466 0.843,467 2.72,468 0.913,469 -0.076,470 -0.099,472 -0.194,473 -0.074,474 14.133,475 0.471,476 0.767,477 0.026,478 43.25,479 1.442,480 24.5,481 0.817,482 18.75,483 0.625,484 20.608,485 0.687,486 30.867,487 0.617,488 34.09,489 1.136,490 8.881,491 0.296,492 5.61,493 0.187,494 0.106,496 0.34,501 0.466,502 1.061,503 0.681,504 0.954,505 0.493,506 0.882,507 0.605,508 0.923,509 0.811,510 0.893,511 0.394,512 0.877,513 0.7,514 1.27,515 0.973,516 1.261,517 0.53,518 1.188,519 0.982,520 0.952,521 0.922,522 0.924,523 0.857,524 0.911,525 1.034,526 1.012,527 1.052,528 1.052,529 0.994,530 1.054,531 0.799,532 0.896,533 0.962,534 0.939,535 0.906,536 0.98,537 0.43,538 1.054,539 0.784,540 1.06,541 0.537,542 1.01,543 0.735,544 0.948,545 0.953,546 0.968,547 0.706,548 0.997,549 6.5,550 0.169,551 3.111,552 1.875,553 1.911,554 1,555 0.706,556 0.405,557 0.282,558 0.204,559 13135,560 38172,561 2.087,562 40,564 20,572 1.724,573 1.957,574 3.675,575 -0.792,582 75.715,583 1.514,584 3.268,585 4.113,586 4.814,587 4.989,588 5.029,589 3.111,590 4.307,591 4.875,592 3.862,593 1679.93,594 8.479,595 24192,597 1,600 282.193,601 1.4,602 4.839,603 0.197,604 0.008,605 0.068,606 0.04,607 0.046,608 0.026,609 0.021,610 0.013,611 0.009,612 0.008,613 0.435,614 0.17,615 0.88,616 0.715,617 156.792,618 0.167,619 0.01,620 0.062,621 0.014,622 -0.009,623 0.008,624 0.159,625 0.137,626 0.024,627 0.07,628 0.204,629 0.039,630 -0.01,631 -0.277,632 -0.108,633 -0.274,634 0.04,635 -0.223,636 -0.059,637 0.016,638 0.108,639 0.063,640 -0.004,641 0.11,642 -0.067,643 -0.033,644 -0.076,645 -0.073,646 -0.052,647 -0.074,648 0.119,649 0.033,650 0.057,651 0.069,652 0.007,653 0.053,654 0.147,655 -0.101,656 0.177,657 -0.048,658 0.06,659 0.044,660 0.273,661 0.039,662 0.045,663 0.007,664 0.323,665 -0.016,666 2.467,667 5.41,668 0.733,669 34.293,670 1.009,671 1.111,672 4.691,673 22.004,674 0.694,675 3.526,676 3.85,677 4.094,678 4.344,679 4.605,680 4.663,681 4.828,682 4.942,683 5.017,684 5.069,685 7.724,686 0.673,687 400.46,688 3.526,689 5.069,690 5.911,691 6.783,692 7.643,693 8.519,694 9.387,695 10.266,696 11.139,697 12.021,698 4,701 1,709 1,715 12,720 6,722 18,735 1,741 50,743 22,744 3,745 33,747 53,748 24,749 18,750 6,751 12,752 3,756 4,757 5,772 21,773 3,777 4,779 1,782 3,784 1,786 2,793 20,794 5,796 6,802 2,808 0.75,809 4,829 4,833 1,846 1,849 1,850 1,855 1,859 3,864 1,868 30,876 2,878 1,881 1,893 8,896 1,898 1,899 2,901 15.333,902 9.4,903 6.528,904 2.857,907 3.798,908 1.485,909 0.992,910 5.642,911 11.633,912 3.85,913 4.449,914 4.985,915 5.527,916 6.105,917 6.349,918 6.762,919 7.14,920 7.456,921 7.787,922 0.889,923 47,924 11.084,926 4.77,927 0.026,929 7.928,931 20.812,933 16.995,936 2.428,937 72.833,939 1,940 1,941 235.422,942 166.918,943 8.794,945 86.892,948 166.918,949 322.314,950 8.794,951 14.066,952 4.211,953 123.191,954 32.336,955 38.052,957 235.422,958 50.747,959 235.422,960 175.713,961 86.892,964 235.422,965 36.145,966 50.747,968 7.336,969 153.231,970 15.146,972 235.422,973 95.686,974 166.918,977 235.422,978 35.331,979 140.382,981 86.892,982 235.422,983 95.686,984 166.918,986 0.584,987 0.332,988 0.176,989 0.099,990 22,991 10,992 0.113,993 6,994 1,995 1.091,996 4.224,997 261.753,998 0.091,999 22,1000 135.207,1005 19.869,1006 8.519,1007 4.608,1009 90.016,1010 22.161,1015 3.891,1018 498.027,1019 46,1021 -0.467,1024 34.443,1026 1.644,1028 -0.086,1031 50.465,1032 55.571,1034 0.268,1035 0.579,1036 0.729,1037 0.853,1038 0.884,1039 0.891,1040 5.078,1041 1.577,1042 5.894,1043 5.012,1044 4.533,1045 5.136,1046 2.988,1047 6.681,1048 4.489,1049 6.291,1050 1.384,1051 7.439,1052 4.504,1053 4.111,1054 4.913,1055 2.396,1056 7.509,1057 4.038,1058 7.595,1059 1.234,1060 9.079,1061 2.994,1062 6.107,1063 7.306,1064 4.393,1065 10.585,1066 6.02,1067 8.931,1068 1,1069 10.775,1070 2.921,1071 6.463,1072 7.857,1073 4.514,1074 12.216,1075 6.35,1076 10.295,1077 1,1078 12.505,1079 2.278,1080 7.943,1081 9.736,1082 6.06,1083 14.803,1084 7.818,1085 11.679,1086 0.852,1087 14.26,1088 2.275,1089 8.67,1090 10.662,1091 6.557,1092 16.792,1093 8.52,1094 13.08,1095 0.134,1096 16.033,1097 2.136,1098 9.93,1099 12.307,1100 7.844,1101 19.199,1102 9.767,1103 3.125,1104 -0.076,1105 17.819,1106 0.344,1107 10.844,1108 13.434,1109 8.548,1110 21.358,1111 10.659,1112 2.824,1113 10.325,1114 19.616,1115 -0.194,1116 12.008,1117 14.96,1118 9.692,1119 23.7,1120 11.809,1121 2.678,1122 9.017,1123 21.422,1124 4.154,1125 13.019,1126 16.201,1127 10.509,1128 25.941,1129 12.799,1130 2.517,1131 7.784,1132 23.236,1133 3.864,1134 14.145,1135 17.665,1136 11.572,1137 28.262,1138 13.91,1139 2.382,1140 7.63,1141 25.056,1142 3.525,1143 15.205,1144 18.973,1145 12.452,1146 30.543,1147 14.95,1148 2.028,1149 6.962,1150 26.882,1151 3.453,1152 16.319,1153 20.406,1154 13.471,1155 32.861,1156 16.048,1157 1.835,1158 5.678,1159 28.713,1160 3.175,1161 17.406,1162 21.753,1163 14.386,1164 35.163,1165 17.117,1166 12438,1167 21498,1168 22.076,1169 34.682,1170 49.987,1171 51.727,1172 50.332,1173 49.196,1174 49.141,1175 66.869,1176 11.281,1177 139.719,1178 48.104,1179 5.385,1180 5.786,1181 6.341,1182 5.197,1183 5.125,1184 7.154,1185 4.612,1186 17.168,1187 5.067,1188 14.616,1189 1.515,1190 1.567,1191 1.525,1192 1.491,1193 1.489,1194 2.026,1195 0.342,1196 4.234,1197 1.458,1198 4.066,1199 4.083,1200 4.032,1201 3.982,1202 7.815,1203 3.987,1204 3.938,1205 3.972,1206 3.877,1207 3.855,1208 7.433,1209 3.852,1210 3.881,1211 3.908,1212 3.819,1213 3.812,1214 6.999,1215 3.81,1216 3.64,1217 3.662,1218 3.612,1219 3.421,1220 4.845,1221 3.445,1222 3.484,1223 3.546,1224 3.374,1225 3.241,1226 4.755,1227 3.26,1228 3.281,1229 3.302,1230 3.222,1231 2.972,1232 4.688,1233 3.045,1234 2.986,1235 3.057,1236 2.901,1237 2.844,1238 4.209,1239 2.829,1240 2.954,1241 2.988,1242 2.801,1243 2.751,1244 4.121,1245 2.763,1246 0.136,1247 0.115,1248 0.198,1249 0.124,1250 0.095,1251 4.494,1252 0.126,1253 3.786,1254 0.079,1255 6.539,1256 0.313,1257 4.107,1258 0.093,1259 3.125,1260 4.154,1261 2.612,1262 10.325,1263 3.067,1264 2.001,1265 1.986,1266 2.086,1267 2.116,1268 1.246,1269 2.094,1270 1.92,1271 1.89,1272 2.041,1273 2.035,1274 1.166,1275 2.036,1276 1.872,1277 1.848,1278 1.975,1279 1.97,1280 1.091,1281 1.975,1282 1.526,1283 1.486,1284 1.735,1285 1.782,1286 0.869,1287 1.744,1288 1.387,1289 1.334,1290 1.532,1291 1.673,1292 0.642,1293 1.63,1294 1.109,1295 1.082,1296 1.364,1297 1.418,1298 0.502,1299 1.384,1300 1.007,1301 0.934,1302 1.27,1303 1.222,1304 0.422,1305 1.276,1306 0.929,1307 0.851,1308 1.209,1309 1.154,1310 0.218,1311 1.184,1312 4.205,1314 5.525,1316 7.04,1318 8.641,1320 10.289,1322 2.061,1328 1.614,1330 5.357,1333 2.216,1340 33.643,1341 75.715,1342 163.416,1343 205.663,1344 240.683,1345 249.438,1346 251.438,1347 56.964,1348 7.835,1349 79.27,1350 79.27,1351 24,1352 12.558,1353 4.524,1354 3.807,1355 47.348,1356 139,1357 140,1358 0.164,1359 205.858,1360 367.1,1361 494.053,1362 29604,1364 21.087,1365 0.703,1366 0.548,1367 21.087,1368 16.447,1369 14.491,1370 0.439,1371 0.289,1372 9.414,1373 13.951,1374 9.163,1375 7.635,1376 14.491,1377 9.535,1378 13.311,1379 0.289,1380 0.158,1381 13.311,1382 7.282,1383 10.797,1384 0.183,1385 0.084,1386 10.797,1387 4.939,1388 8.968,1389 0.118,1390 0.046,1391 8.968,1392 3.478,1393 7.465,1394 0.075,1395 0.024,1396 7.465,1397 2.374,1398 0.265,1399 90.937,1400 0.213,1401 28.846,1402 0.433,1403 158,1404 502.232,1405 172.457,1406 484.697,1407 649.41,1408 448,1409 184,1410 476.035,1411 198.629,1412 480.878,1413 694.88,1414 448,1415 6.83}
{0 CHEMBL244624,1 1.401,2 12.464,3 4.289,4 18.395,5 113.856,6 7.41,7 0.581,8 4.001,9 4.112,10 3.571,11 3.61,12 5.126,13 3.579,14 4.498,15 4.652,16 3.916,17 3.993,18 5.598,19 3.944,20 4.739,21 4.91,22 3.967,23 4.14,24 5.78,25 4.055,26 4.888,27 5.135,28 3.867,29 4.085,30 5.849,31 3.975,32 4.742,33 4.953,34 3.796,35 4.007,36 5.817,37 3.907,38 4.716,39 4.955,40 3.628,41 3.945,42 5.663,43 3.815,44 4.54,45 4.777,46 3.553,47 3.837,48 5.52,49 3.705,50 4.47,51 4.695,52 3.433,53 3.719,54 5.487,55 3.595,56 0.035,57 0.659,58 9.853,59 4.555,60 8.306,61 5.847,62 0.212,63 1.074,64 17.723,65 7.47,66 20.972,67 9.806,68 0.095,69 1.331,70 22.987,71 10.139,72 22.418,73 13.352,74 0.248,75 1.51,76 30.469,77 11.769,78 40.781,79 16.039,80 0.267,81 1.3,82 25.227,83 9.994,84 45.439,85 13.184,86 0.246,87 1.237,88 25.576,89 10.283,90 38.951,91 13.744,92 0.139,93 1.076,94 20.5,95 8.777,96 32.048,97 12.278,98 0.298,99 0.996,100 19.59,101 7.591,102 37.878,103 10.213,104 10,105 43,106 0.233,107 0.545,108 0.686,109 0.802,110 0.831,111 0.838,112 3.374,113 0.894,114 -5.38,115 -5.26,116 -4.92,121 48,126 1,127 2,137 1,138 1,144 12,145 4,146 2,160 1,165 1,166 1,167 1,176 17,179 1,180 6,185 2,187 19,189 2,192 10,197 2,200 15,203 2,206 10,211 1,214 9,216 1,219 8,221 1,222 1,224 1,227 11,229 1,232 3,237 1,239 14,241 1,244 1,246 1,247 1,249 2,251 15,253 2,255 2,256 1,261 2,264 12,266 2,269 1,274 1,277 8,279 1,281 1214,282 18.963,283 18.963,284 18.963,285 18.963,286 18.963,287 16.476,288 19.358,289 11.271,290 19.173,291 15.342,292 15.342,293 15.342,294 15.342,295 15.342,296 11.609,297 23.811,298 5.434,299 15.678,300 4.243,301 2.376,302 1.531,303 0.83,304 0.655,305 0.615,306 4.073,311 1,312 1,313 765,314 3,318 352.254,322 135.618,325 2.074,326 20.087,328 1,329 0.75,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.84,337 59,338 349,339 4.476,340 3.726,341 6.535,342 4.099,343 3.116,344 4.085,345 1.674,346 10.309,347 3.061,348 4.138,349 3.042,350 6.079,351 3.748,352 2.764,353 3.748,354 0.995,355 8.823,356 2.718,357 3.942,358 2.93,359 5.576,360 3.626,361 2.653,362 3.456,363 0.359,364 7.654,365 2.584,366 3.83,367 2.731,368 5.348,369 3.44,370 2.443,371 3.269,373 6.974,374 2.432,375 3.481,376 2.501,377 5.073,378 3.118,379 2.159,380 2.778,382 6.043,383 2.063,384 3.298,385 2.283,386 4.898,387 2.945,388 1.978,389 2.488,391 5.439,392 1.906,393 3.136,394 2.119,395 4.639,396 2.789,397 1.813,398 2.259,400 4.975,401 1.752,402 2.99,403 1.716,404 4.49,405 2.558,406 1.576,407 2.146,409 4.49,410 1.54,411 2.773,412 1.492,413 3.666,414 2.374,415 1.384,416 1.851,418 2.993,419 1.367,420 2.5,421 1.114,422 3.566,423 2,424 1,425 1.5,427 2.31,428 1,429 2.5,430 1,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.452,439 1,440 3.247,441 1.864,442 0.875,443 1.29,445 2.136,446 0.858,447 1.518,448 0.882,449 2.94,450 1.157,451 0.176,452 0.215,454 0.432,455 0.17,456 1.306,457 0.349,458 2.72,459 0.979,465 1.028,466 0.061,467 2.692,468 0.735,469 -0.243,470 -0.29,472 -0.583,473 -0.237,474 13.467,475 0.481,476 0.677,477 0.024,478 39.25,479 1.402,480 22,481 0.786,482 17.25,483 0.616,484 19.662,485 0.702,486 28.533,487 0.571,488 29.425,489 1.051,490 8.077,491 0.288,492 5.503,493 0.197,494 0.092,496 0.327,501 0.802,502 1.063,503 0.794,504 0.943,505 0.735,506 0.873,507 0.801,508 0.924,509 0.87,510 0.888,511 0.514,512 0.873,513 0.861,514 1.27,515 1.056,516 1.255,517 0.75,518 1.192,519 1.032,520 0.952,521 0.895,522 0.92,523 0.851,524 0.895,525 1.209,526 1.012,527 1.079,528 1.049,529 1.264,530 1.05,531 1.15,532 0.896,533 1.017,534 0.931,535 1.239,536 0.963,537 0.378,538 1.054,539 0.872,540 1.061,541 0.447,542 1.034,543 1.082,544 0.948,545 1.13,546 0.973,547 1.414,548 1.048,549 6,550 0.128,551 2.667,552 1.75,553 1.751,554 0.819,555 0.665,556 0.224,557 0.233,558 0.184,559 11097,560 26900,561 2.115,562 44,564 20,567 2,572 1.705,573 2,574 3.595,575 0.141,577 1,582 70.046,583 1.401,584 3.268,585 4.113,586 4.814,587 4.989,588 5.029,589 3.111,590 4.423,591 4.777,592 3.781,593 1429.39,594 8.277,595 19508.6,597 1,599 1,600 282.193,601 1.333,602 4.748,603 0.194,604 0.007,605 0.062,606 0.041,607 0.046,608 0.023,609 0.022,610 0.008,611 0.01,612 0.009,613 0.422,614 0.33,615 1,616 0.517,617 142.951,618 -0.035,619 0.008,620 0.043,621 0.025,622 -0.102,623 0.042,624 0.118,625 0.137,626 0.028,627 0.073,628 0.124,629 0.054,630 -0.018,631 -0.277,632 -0.148,633 -0.274,634 -0.011,635 -0.234,636 -0.011,637 0.016,638 0.12,639 0.06,640 0.069,641 0.099,642 -0.034,643 -0.033,644 -0.09,645 -0.076,646 -0.011,647 -0.087,648 -0.104,649 0.033,650 -0.011,651 0.069,652 -0.112,653 0.041,654 0.168,655 -0.101,656 0.079,657 -0.057,658 0.2,659 -0.013,660 0.021,661 0.04,662 -0.134,663 -0.001,664 -0.173,665 -0.078,666 2.008,667 5.378,668 0.786,669 29.5,670 0.994,671 1.111,672 4.152,673 17.243,674 0.691,675 3.466,676 3.784,677 4.025,678 4.29,679 4.543,680 4.564,681 4.71,682 4.804,683 4.89,684 4.905,685 7.345,686 0.655,687 370.48,688 3.466,689 5.004,690 5.844,691 6.715,692 7.571,693 8.447,694 9.31,695 10.188,696 11.057,697 11.937,698 4,701 1,702 1,715 12,720 6,722 18,733 1,741 50,743 20,744 3,745 31,747 53,748 24,749 18,750 6,751 12,752 3,756 4,757 5,772 21,773 3,777 2,782 1,784 1,786 2,790 1,793 22,794 4,795 2,796 4,802 2,808 0.75,809 2,829 4,833 1,846 1,849 1,850 1,855 1,859 3,864 1,868 28,869 1,876 2,878 1,881 1,893 4,896 1,898 1,901 14,902 9.2,903 6.083,904 2.824,907 3.663,908 1.478,909 1.015,910 5.179,911 11.324,912 3.761,913 4.35,914 4.9,915 5.453,916 6.021,917 6.187,918 6.579,919 6.939,920 7.293,921 7.554,922 1,923 43,924 10.331,926 4.38,927 0.026,929 7.673,931 19.849,933 16.3,936 2.173,937 60.833,939 1,940 1,941 235.422,942 166.918,943 36.022,945 36.145,948 166.918,949 271.567,950 36.022,951 8.396,952 4.211,953 156.088,954 32.336,955 38.052,957 235.422,959 235.422,960 202.94,961 36.145,964 235.422,965 36.145,968 7.336,969 186.128,970 9.476,972 235.422,973 72.166,974 166.918,977 235.422,978 35.331,979 134.712,981 69.042,982 235.422,983 72.166,984 166.918,986 0.581,987 0.33,988 0.181,989 0.103,990 21,991 9,992 0.094,993 5,994 1,995 1.091,996 4.092,997 238.108,998 0.091,999 22,1000 124.606,1005 18.33,1006 7.911,1007 4.288,1009 72.166,1010 23.714,1015 5.325,1017 32.897,1018 474.507,1019 42,1024 12.378,1026 1.841,1028 0.202,1031 49.694,1032 55.567,1034 0.248,1035 0.579,1036 0.729,1037 0.853,1038 0.884,1039 0.891,1040 4.987,1041 1.576,1042 5.82,1043 4.975,1044 4.466,1045 5.037,1046 2.158,1047 6.597,1048 4.424,1049 6.19,1050 1.384,1051 7.354,1052 4.49,1053 4.007,1054 4.718,1055 0.325,1056 7.391,1057 3.938,1058 7.484,1059 1,1060 8.983,1061 2.993,1062 6.028,1063 7.18,1064 2.9,1065 10.478,1066 5.948,1067 8.808,1068 1,1069 10.668,1070 2.31,1071 6.347,1072 7.628,1073 0.504,1074 12.092,1075 6.244,1076 10.161,1077 0.875,1078 12.388,1079 2.275,1080 7.847,1081 9.573,1082 3.835,1083 14.691,1084 7.733,1085 11.535,1086 0.176,1087 14.135,1088 2.136,1089 8.55,1090 10.411,1091 0.585,1092 16.678,1093 8.414,1094 12.926,1096 15.901,1097 0.432,1098 9.822,1099 12.104,1100 4.834,1101 19.097,1102 9.675,1103 3.116,1104 -0.243,1105 17.683,1107 10.724,1108 13.165,1109 0.622,1110 21.26,1111 10.556,1112 2.764,1113 10.309,1114 19.477,1115 -0.583,1116 11.896,1117 14.721,1118 5.853,1119 23.611,1120 11.714,1121 2.653,1122 8.823,1123 21.282,1124 4.085,1125 12.901,1126 15.913,1127 0.639,1128 25.857,1129 12.7,1130 2.443,1131 7.654,1132 23.096,1133 3.748,1134 14.031,1135 17.392,1136 6.881,1137 28.185,1138 13.816,1139 2.159,1140 6.974,1141 24.918,1142 3.456,1143 15.09,1144 18.664,1145 0.646,1146 30.471,1147 14.856,1148 1.978,1149 6.043,1150 26.746,1151 3.269,1152 16.207,1153 20.101,1154 7.91,1155 32.792,1156 15.956,1157 1.813,1158 5.439,1159 28.58,1160 2.778,1161 17.294,1162 21.421,1163 0.648,1164 35.098,1165 17.025,1166 10408,1167 16376,1168 20.978,1169 34.534,1170 46.843,1171 47.375,1172 46.815,1173 45.936,1174 45.871,1175 61.173,1176 6.056,1177 129.705,1178 44.906,1179 5.367,1180 5.726,1181 6.337,1182 5.187,1183 5.116,1184 7.085,1185 3.349,1186 17.149,1187 5.061,1188 11.938,1189 1.511,1190 1.528,1191 1.51,1192 1.482,1193 1.48,1194 1.973,1195 0.195,1196 4.184,1197 1.449,1198 4.044,1199 4.063,1200 4.001,1201 3.976,1202 7.433,1203 3.978,1204 3.923,1205 3.955,1206 3.853,1207 3.852,1208 5.118,1209 3.848,1210 3.859,1211 3.888,1212 3.796,1213 3.803,1214 4.788,1215 3.798,1216 3.553,1217 3.612,1218 3.471,1219 3.403,1220 4.74,1221 3.412,1222 3.412,1223 3.453,1224 3.309,1225 3.226,1226 4.633,1227 3.235,1228 3.035,1229 3.101,1230 2.931,1231 2.865,1232 4.199,1233 2.866,1234 2.969,1235 3.055,1236 2.808,1237 2.812,1238 3.992,1239 2.811,1240 2.896,1241 2.976,1242 2.792,1243 2.743,1244 3.944,1245 2.723,1246 0.144,1247 0.12,1248 0.211,1249 0.132,1250 0.101,1251 4.476,1252 0.132,1253 3.726,1254 0.054,1255 6.535,1256 0.333,1257 4.099,1258 0.099,1259 3.116,1260 4.085,1261 1.674,1262 10.309,1263 3.061,1264 1.996,1265 1.98,1266 2.085,1267 2.081,1268 1.245,1269 2.082,1270 1.917,1271 1.887,1272 2.04,1273 2.017,1274 1.162,1275 2.026,1276 1.862,1277 1.837,1278 1.971,1279 1.944,1280 1.082,1281 1.957,1282 1.514,1283 1.463,1284 1.734,1285 1.72,1286 0.866,1287 1.729,1288 1.361,1289 1.311,1290 1.528,1291 1.563,1292 0.636,1293 1.546,1294 1.013,1295 0.949,1296 1.364,1297 1.246,1298 0.502,1299 1.279,1300 0.971,1301 0.905,1302 1.271,1303 1.222,1304 0.418,1305 1.255,1306 0.926,1307 0.85,1308 1.218,1309 1.135,1310 0.218,1311 1.175,1312 4.143,1314 5.46,1316 6.971,1318 8.571,1320 10.217,1322 2.1,1326 5.848,1328 1.719,1330 5.444,1333 2.261,1340 32.74,1341 70.046,1342 163.416,1343 205.663,1344 240.683,1345 249.438,1346 251.438,1347 41.977,1348 7.66,1349 59.47,1350 59.47,1351 24,1352 12.475,1353 4.392,1354 3.585,1355 42.747,1356 125,1357 120,1358 0.167,1359 200.793,1360 352.16,1361 481.694,1362 24010,1364 19.51,1365 0.697,1366 0.563,1367 19.51,1368 15.761,1369 13.581,1370 0.438,1371 0.298,1372 9.148,1373 13.252,1374 8.87,1375 7.412,1376 13.581,1377 9.235,1378 12.412,1379 0.289,1380 0.165,1381 12.412,1382 7.1,1383 10.075,1384 0.183,1385 0.087,1386 10.075,1387 4.769,1388 8.561,1389 0.119,1390 0.047,1391 8.561,1392 3.396,1393 7.135,1394 0.077,1395 0.025,1396 7.135,1397 2.311,1398 0.269,1399 83.863,1400 0.218,1401 27.238,1402 0.439,1403 148,1404 388.428,1405 157.307,1406 385.151,1407 530.91,1408 360,1409 172,1410 393.515,1411 181.643,1412 406.778,1413 590.58,1414 380,1415 6.551}
{0 CHEMBL244630,1 1.724,2 7.455,3 3.957,4 15.654,5 63.894,6 11.436,7 0.522,8 3.507,9 3.561,10 3.357,11 3.039,12 5.081,13 3.127,14 3.977,15 4.046,16 3.792,17 3.367,18 5.69,19 3.488,20 4.315,21 4.424,22 4.009,23 3.413,24 6.328,25 3.581,26 4.286,27 4.401,28 3.951,29 3.237,30 6.388,31 3.443,32 4.195,33 4.303,34 3.873,35 3.103,36 6.547,37 3.304,38 3.981,39 4.103,40 3.597,41 3,42 6.111,43 3.155,44 3.824,45 3.974,46 3.461,47 2.824,48 5.773,49 3.01,50 3.689,51 3.834,52 3.462,53 2.442,54 6.117,55 2.739,56 0.575,57 0.901,58 0.789,59 2.901,60 113.547,61 1.762,62 0.991,63 1.432,64 1.262,65 4.618,66 191.965,67 2.858,68 1.811,69 1.848,70 6.489,71 6.141,72 351.026,73 3.763,74 1.863,75 1.577,76 8.325,77 5.681,78 370.025,79 3.614,80 1.852,81 1.22,82 8.446,83 4.932,84 365.206,85 3.014,86 1.365,87 1.012,88 6.573,89 4.238,90 261.394,91 2.837,92 1.176,93 1.262,94 6.174,95 3.848,96 221.591,97 2.607,98 1.268,99 1.409,100 5.087,101 3.196,102 236.893,103 1.71,104 65,105 34,106 0.334,107 0.605,108 0.726,109 0.875,110 0.916,111 0.93,112 3.147,113 0.748,114 -5.48,115 -5.36,116 -5.01,121 50,129 1,144 4,145 2,146 6,159 1,176 2,180 1,185 1,187 2,192 2,195 1,197 2,200 3,206 1,211 1,214 2,219 1,224 1,227 1,232 1,237 1,239 2,251 2,277 1,281 584,282 13.776,283 13.776,284 13.776,285 13.776,286 13.776,287 11.97,288 12.685,289 7.672,290 14.088,291 11.217,292 11.217,293 11.217,294 11.217,295 11.217,296 8.506,297 11.352,298 3.582,299 11.873,300 3.083,301 1.679,302 1.054,303 0.286,304 0.071,306 3.791,311 1,312 1,313 332,314 3.162,318 152.952,325 1.14,326 78.953,329 0.75,330 1,331 1,332 0.4,334 1,335 1,336 0.74,337 55,338 164,339 4.531,340 3.889,341 6.803,342 4.194,343 3.215,344 4.182,345 1.848,346 11.017,347 3.146,348 4.375,349 3.447,350 6.481,351 3.947,352 2.996,353 4.07,354 0.443,355 9.907,356 2.835,357 3.831,358 3.271,359 5.846,360 3.477,361 2.522,362 3.153,364 7.707,365 2.379,366 3.448,367 2.753,368 5.275,369 3.018,370 2.095,371 2.766,373 6.108,374 1.925,375 3.425,376 2.75,377 4.971,378 2.982,379 2.075,380 2.732,382 5.734,383 1.852,384 3.312,385 2.617,386 4.971,387 2.916,388 1.971,389 2.566,391 5.715,392 1.819,393 2.815,394 2.186,395 4.596,396 2.371,397 1.414,398 1.883,400 4.108,401 1.336,402 2.04,403 1.951,404 3.659,405 1.654,406 0.738,407 0.874,409 1.802,410 0.649,411 1.54,412 1.28,413 2.979,414 1.149,415 0.31,416 0.358,418 0.73,419 0.251,420 1.456,421 1.069,422 2.741,423 1.045,424 0.152,425 0.189,427 0.349,428 0.132,429 0.914,430 0.245,431 2.67,432 0.462,433 -0.464,434 -0.58,436 -1.182,437 -0.4,438 0.861,439 0.242,440 2.483,441 0.434,442 -0.477,443 -0.595,445 -1.192,446 -0.409,447 0.391,448 -0.103,449 2,450 0.039,451 -0.818,452 -0.928,454 -2.024,455 -0.675,456 0.327,457 -0.159,458 1.556,459 0.002,460 -0.824,461 -0.99,463 -2.024,464 -0.7,465 -0.068,466 -0.37,467 1.531,468 -0.363,469 -1.312,470 -1.514,472 -3.325,473 -1.118,474 9.381,475 0.426,476 0.868,477 0.039,478 27,479 1.227,480 13.5,481 0.614,482 13.5,483 0.614,484 15.795,485 0.718,486 25.419,487 0.908,488 24.745,489 1.125,490 6.053,491 0.275,492 4.165,493 0.189,494 0.254,496 0.533,499 6,501 0.658,502 0.77,503 0.516,504 0.864,505 0.68,506 0.755,507 0.792,508 0.981,509 0.621,510 1.129,511 0.782,512 0.994,513 1.026,514 1.011,515 1.011,516 1.09,517 1.033,518 1.074,519 1.051,520 0.974,521 1.027,522 1.06,523 1.083,524 1.04,525 0.899,526 0.816,527 1.058,528 0.828,529 0.917,530 0.955,531 0.98,532 0.977,533 1.126,534 0.907,535 0.966,536 1.03,537 1.227,538 1.253,539 1.113,540 1.058,541 1.204,542 0.972,543 1.275,544 1.363,545 1.121,546 1.135,547 1.258,548 1.004,549 6,551 3.556,552 2.5,553 2.009,554 0.75,555 0.449,556 0.344,557 0.255,558 0.063,559 3963,560 23964,561 1.869,562 21.4,564 5,567 1,572 1.651,573 1.65,574 2.946,575 -0.175,577 1,582 48.283,583 1.724,584 3.128,585 3.753,586 4.522,587 4.736,588 4.807,589 2.231,590 3.459,591 4.437,592 3.079,593 711.271,594 7.649,595 7703.02,597 1,599 1,600 134.606,601 1.495,602 4.316,603 0.261,605 0.105,606 0.066,607 0.059,608 0.025,609 0.019,610 0.016,611 0.014,612 0.007,613 0.572,614 0.67,615 0.88,616 0.733,617 99.022,618 -0.036,619 0.029,620 -0.038,621 0.09,622 -0.053,623 0.083,624 -0.091,625 -0.147,626 -0.026,627 -0.18,628 -0.074,629 -0.131,630 -0.115,631 -0.079,632 -0.126,633 -0.135,634 -0.113,635 -0.139,636 -0.089,637 -0.087,638 -0.013,639 -0.126,640 -0.102,641 -0.062,642 0.134,643 0.106,644 -0.026,645 0.109,646 0.131,647 -0.019,648 -0.03,649 -0.086,650 -0.094,651 0.041,652 -0.018,653 -0.014,654 -0.218,655 -0.23,656 -0.011,657 -0.071,658 -0.214,659 0.092,660 0.048,661 0.025,662 0.029,663 -0.09,664 0.028,665 -0.109,666 3.874,667 5.471,668 0.545,669 13.587,670 1.108,671 1.177,672 4.255,673 18.101,674 0.682,675 3.178,676 3.555,677 3.807,678 4.007,679 4.174,680 4.078,681 3.989,682 3.97,683 3.892,684 3.807,685 4.91,686 0.746,687 320.2,688 3.178,689 4.745,690 5.602,691 6.497,692 7.372,693 8.265,694 9.147,695 10.039,696 10.924,697 11.816,715 4,720 8,722 12,727 1,740 6,741 28,743 13,744 2,745 23,747 29,748 14,749 12,750 8,751 4,752 1,756 2,757 2,770 1,772 13,773 1,777 1,782 1,786 1,790 1,791 6,793 6,794 8,795 1,796 8,808 1,809 2,811 1,829 2,857 1,859 2,866 6,868 22,875 1,880 1,892 6,893 7.1,894 1,896 1,901 13.333,902 5.14,903 4.778,904 1.468,907 2.198,908 1.344,909 0.925,910 4.252,911 8.582,912 3.434,913 4.094,914 4.649,915 5.16,916 5.641,917 5.69,918 5.743,919 5.89,920 6.084,921 6.36,922 0.8,923 38,924 8.646,926 4.468,927 0.026,929 9.379,931 13.573,933 11.013,936 3.879,937 85.333,941 58.856,942 104.136,945 67.828,946 89.761,948 104.136,949 126.684,950 89.761,953 80.588,954 30.278,955 61.097,956 89.761,957 58.856,959 58.856,960 104.136,961 157.589,964 148.616,965 25.145,966 42.683,969 104.136,972 148.616,973 67.828,974 104.136,977 58.856,978 66.231,979 37.905,981 157.589,982 58.856,983 157.589,984 104.136,986 0.606,987 0.366,988 0.185,989 0.099,990 16,991 10,992 0.103,993 3,995 1,996 3.119,997 171.515,999 12,1000 98.107,1005 16.066,1006 5.823,1007 3.004,1009 157.589,1010 0.908,1015 -11.857,1017 42.683,1018 320.58,1019 30,1024 11.81,1028 -1.653,1031 31.032,1032 32.948,1034 0.359,1035 0.651,1036 0.781,1037 0.941,1038 0.985,1039 1,1040 4.7,1041 0.738,1042 5.652,1043 4.108,1044 4.234,1045 4.779,1046 2.019,1047 6.518,1048 4.124,1049 5.965,1050 0.31,1051 7.27,1052 1.802,1053 4.111,1054 4.844,1055 1.22,1056 7.522,1057 3.916,1058 7.31,1059 0.152,1060 8.983,1061 0.73,1062 5.9,1063 7.03,1064 2.917,1065 10.64,1066 5.723,1067 8.687,1068 -0.464,1069 10.745,1070 0.349,1071 6.494,1072 7.795,1073 2.638,1074 12.39,1075 6.243,1076 10.087,1077 -0.477,1078 12.537,1079 -1.182,1080 7.854,1081 9.55,1082 3.984,1083 15.075,1084 7.62,1085 11.506,1086 -0.818,1087 14.351,1088 -1.192,1089 8.757,1090 10.637,1091 4.007,1092 17.157,1093 8.468,1094 12.938,1095 -0.824,1096 16.182,1097 -2.024,1098 9.972,1099 12.219,1100 5.117,1101 19.671,1102 9.686,1103 3.215,1104 -1.312,1105 18.025,1106 -2.024,1107 11.011,1108 13.468,1109 5.332,1110 21.908,1111 10.685,1112 2.996,1113 11.017,1114 19.878,1115 -3.325,1116 12.176,1117 14.969,1118 6.282,1119 24.348,1120 11.842,1121 2.522,1122 9.907,1123 21.741,1124 4.182,1125 13.275,1126 16.301,1127 6.624,1128 26.66,1129 12.91,1130 2.095,1131 7.707,1132 23.61,1133 4.07,1134 14.425,1135 17.762,1136 7.467,1137 29.067,1138 14.046,1139 2.075,1140 6.108,1141 25.485,1142 3.153,1143 15.551,1144 19.136,1145 7.895,1146 31.415,1147 15.146,1148 1.971,1149 5.734,1150 27.365,1151 2.766,1152 16.698,1153 20.577,1154 8.665,1155 33.809,1156 16.276,1157 1.414,1158 5.715,1159 29.249,1160 2.732,1161 17.837,1162 21.973,1163 9.152,1164 36.176,1165 17.392,1166 4141,1167 10247,1168 13.759,1169 19.102,1170 35.458,1171 38.532,1172 37.945,1173 35.07,1174 34.977,1175 45.544,1176 4.582,1177 106.35,1178 32.646,1179 5.371,1180 5.889,1181 5.803,1182 5.194,1183 5.215,1184 7.182,1185 3.376,1186 18.686,1187 5.146,1188 15.711,1189 1.542,1190 1.675,1191 1.65,1192 1.525,1193 1.521,1194 1.98,1195 0.199,1196 4.624,1197 1.419,1198 4.003,1199 4.017,1200 3.986,1201 3.906,1202 8.246,1203 3.92,1204 3.888,1205 3.908,1206 3.875,1207 3.792,1208 8.238,1209 3.805,1210 3.417,1211 3.426,1212 3.377,1213 3.224,1214 8.2,1215 3.254,1216 2.976,1217 3.013,1218 2.992,1219 2.752,1220 8.198,1221 2.778,1222 2.972,1223 3.011,1224 2.985,1225 2.727,1226 8.16,1227 2.77,1228 2.916,1229 2.947,1230 2.859,1231 2.727,1232 8.16,1233 2.76,1234 2.624,1235 2.674,1236 2.547,1237 2.362,1238 7.428,1239 2.389,1240 2.413,1241 2.425,1242 2.315,1243 1.881,1244 6.443,1245 1.978,1246 0.197,1247 0.169,1248 0.296,1249 0.182,1250 0.14,1251 4.531,1252 0.182,1253 3.889,1254 0.08,1255 6.803,1256 0.479,1257 4.194,1258 0.137,1259 3.215,1260 4.182,1261 1.848,1262 11.017,1263 3.146,1264 1.924,1265 1.913,1266 1.977,1267 2.039,1268 1.132,1269 2.016,1270 1.832,1271 1.816,1272 1.888,1273 1.947,1274 0.997,1275 1.925,1276 1.307,1277 1.294,1278 1.432,1279 1.539,1280 0.537,1281 1.498,1282 0.847,1283 0.813,1284 1.048,1285 1.08,1286 0.119,1287 1.046,1288 0.802,1289 0.77,1290 0.958,1291 1.08,1293 1.014,1294 0.794,1295 0.767,1296 0.863,1297 1.062,1299 0.999,1300 0.511,1301 0.464,1302 0.732,1303 0.839,1305 0.814,1306 0.137,1307 0.112,1308 0.49,1309 0.664,1311 0.596,1312 3.85,1314 5.209,1316 6.76,1318 8.402,1320 10.089,1324 79.022,1327 9.644,1332 -2.541,1340 20.89,1341 48.283,1342 87.586,1343 105.096,1344 126.606,1345 132.606,1346 134.606,1347 106.36,1348 6.384,1349 37.3,1350 37.3,1351 12,1352 12.344,1353 3.807,1354 3,1355 41.954,1356 65,1357 50,1358 0.329,1359 124.966,1360 239.76,1361 296.678,1362 3903,1363 21.4,1364 16.602,1365 0.755,1366 0.478,1367 11.38,1368 10.51,1369 10.218,1370 0.444,1371 0.249,1372 5.55,1373 9.425,1374 5.558,1375 4.484,1376 7.788,1377 5.733,1378 9.872,1379 0.29,1380 0.127,1381 6.514,1382 4.307,1383 8.223,1384 0.187,1385 0.064,1386 5.616,1387 2.823,1388 6.26,1389 0.116,1390 0.033,1391 4.179,1392 1.799,1393 4.777,1394 0.075,1395 0.017,1396 3.131,1397 1.097,1398 0.495,1399 67.66,1400 0.27,1401 21.093,1402 0.97,1403 114,1404 792.552,1405 141.192,1406 596.487,1407 727.96,1408 544,1409 135,1410 468.909,1411 161.392,1412 434.815,1413 642.72,1414 407,1415 4}
{0 CHEMBL244631,1 1.724,2 8.545,3 3.957,4 15.654,5 63.894,6 11.436,7 0.522,8 3.507,9 3.561,10 3.357,11 3.039,12 5.083,13 3.127,14 3.977,15 4.046,16 3.792,17 3.367,18 5.658,19 3.488,20 4.322,21 4.427,22 4.087,23 3.413,24 6.497,25 3.589,26 4.285,27 4.403,28 3.897,29 3.24,30 6.393,31 3.425,32 4.143,33 4.271,34 3.67,35 3.108,36 6.19,37 3.261,38 3.972,39 4.096,40 3.594,41 3.001,42 6.082,43 3.151,44 3.842,45 3.984,46 3.496,47 2.827,48 5.984,49 3.004,50 3.639,51 3.801,52 3.296,53 2.448,54 5.823,55 2.7,56 0.575,57 0.901,58 0.789,59 2.901,60 113.769,61 1.762,62 0.991,63 1.432,64 1.262,65 4.618,66 195.044,67 2.858,68 1.876,69 2.079,70 6.603,71 6.149,72 361.972,73 4.057,74 1.884,75 1.478,76 7.935,77 5.679,78 366.43,79 3.439,80 1.619,81 0.935,82 9.134,83 4.839,84 319.461,85 3.3,86 1.335,87 1.001,88 6.78,89 4.219,90 258.69,91 3.022,92 1.246,93 1.175,94 5.809,95 3.856,96 232.955,97 2.593,98 1.113,99 1.146,100 5.594,101 3.131,102 207.24,103 1.971,104 65,105 34,106 0.334,107 0.605,108 0.726,109 0.875,110 0.916,111 0.93,112 3.147,113 0.749,114 -5.48,115 -5.36,116 -5.01,121 50,129 1,144 4,145 2,146 6,159 1,176 4,180 1,185 1,187 2,192 2,195 1,197 2,200 1,206 2,211 2,214 2,219 1,224 1,227 3,239 2,251 1,281 584,282 13.88,283 13.88,284 13.88,285 13.88,286 13.88,287 12.019,288 10.581,289 7.612,290 14.153,291 11.131,292 11.131,293 11.131,294 11.131,295 11.131,296 8.439,297 8.379,298 3.472,299 11.767,300 3.083,301 1.679,302 1.054,303 0.286,304 0.071,306 3.791,311 1,312 1,313 382,314 3.162,318 154.934,325 1.223,326 78.123,329 0.75,330 1,331 1,332 0.4,334 1,335 1,336 0.74,337 55,338 188,339 4.548,340 3.891,341 6.828,342 4.201,343 3.227,344 4.213,345 1.848,346 11.068,347 3.146,348 4.421,349 3.532,350 6.58,351 3.988,352 3.046,353 4.123,354 0.443,355 10.154,356 2.857,357 3.96,358 3.406,359 6.126,360 3.609,361 2.662,362 3.314,364 8.51,365 2.485,366 3.573,367 2.845,368 5.693,369 3.186,370 2.24,371 2.904,373 7.186,374 2.093,375 3.17,376 2.617,377 5.075,378 2.741,379 1.824,380 2.371,382 5.27,383 1.646,384 3.041,385 2.362,386 4.64,387 2.594,388 1.66,389 2.241,391 4.416,392 1.527,393 2.853,394 1.978,395 4.323,396 2.392,397 1.414,398 1.957,400 3.727,401 1.369,402 2.059,403 1.806,404 3.55,405 1.666,406 0.7,407 0.871,409 1.665,410 0.655,411 1.446,412 1.419,413 2.872,414 1.076,415 0.289,416 0.318,418 0.628,419 0.22,420 1.445,421 1.279,422 2.786,423 1.076,424 0.284,425 0.315,427 0.615,428 0.218,429 1.251,430 0.537,431 2.742,432 0.821,433 -0.101,434 -0.125,436 -0.239,437 -0.09,438 1.117,439 0.452,440 2.464,441 0.705,442 -0.225,443 -0.29,445 -0.502,446 -0.202,447 0.184,448 -0.311,449 2,450 -0.204,451 -1.135,452 -1.333,454 -2.789,455 -0.937,456 0.113,457 -0.36,458 1.538,459 -0.261,460 -1.138,461 -1.362,463 -2.807,464 -0.942,465 -0.081,466 -0.365,467 1.535,468 -0.393,469 -1.295,470 -1.482,472 -3.28,473 -1.128,474 9.381,475 0.426,476 0.834,477 0.038,478 27,479 1.227,480 13.5,481 0.614,482 13.5,483 0.614,484 15.733,485 0.715,486 25.419,487 0.908,488 24.654,489 1.121,490 6.083,491 0.276,492 4.169,493 0.189,494 0.254,496 0.533,499 6,501 0.658,502 0.77,503 0.516,504 0.864,505 0.679,506 0.755,507 0.792,508 0.981,509 0.621,510 1.129,511 0.807,512 0.994,513 0.823,514 0.93,515 0.736,516 1.089,517 0.826,518 1.019,519 1.075,520 0.922,521 1.204,522 1.048,523 1.084,524 1.152,525 1.021,526 0.792,527 1.25,528 0.826,529 1.043,530 1.016,531 0.908,532 0.948,533 1.028,534 0.906,535 0.911,536 1.01,537 1.097,538 1.204,539 1.126,540 1.041,541 1.064,542 1.062,543 1.382,544 1.405,545 1.266,546 1.135,547 1.342,548 1.033,549 5,550 0.041,551 4.444,552 2.5,553 1.849,554 0.861,555 0.527,556 0.361,557 0.271,558 0.111,559 4059,560 24700,561 1.869,562 21.4,564 5,567 1,572 1.649,573 1.65,574 3.088,575 -0.175,577 1,582 48.283,583 1.724,584 3.128,585 3.753,586 4.522,587 4.736,588 4.807,589 2.482,590 3.459,591 4.435,592 3.178,593 734.153,594 7.635,595 7856.04,597 1,599 1,600 134.606,601 1.495,602 4.316,603 0.217,604 0.01,605 0.131,606 0.063,607 0.058,608 0.033,609 0.022,610 0.017,611 0.017,612 0.011,613 0.579,614 0.67,615 0.88,616 0.733,617 99.474,618 -0.036,619 0.029,620 -0.038,621 0.09,622 -0.052,623 0.083,624 -0.091,625 -0.147,626 -0.026,627 -0.18,628 -0.1,629 -0.131,630 0.095,631 0.004,632 0.16,633 -0.134,634 0.102,635 -0.082,636 -0.114,637 -0.033,638 -0.197,639 -0.113,640 -0.107,641 -0.178,642 -0.103,643 -0.017,644 -0.158,645 0.091,646 -0.11,647 0.048,648 0.019,649 -0.092,650 0.023,651 0.037,652 0.015,653 0.037,654 -0.053,655 -0.139,656 -0.042,657 -0.048,658 -0.044,659 -0.038,660 -0.179,661 -0.174,662 -0.05,663 -0.112,664 -0.169,665 -0.002,666 3.755,667 5.478,668 0.545,669 14.05,670 1.108,671 1.177,672 4.255,673 18.101,674 0.682,675 3.178,676 3.555,677 3.85,678 3.97,679 4.111,680 4.111,681 4.025,682 3.932,683 3.912,684 3.85,685 5.066,686 0.746,687 320.2,688 3.178,689 4.745,690 5.617,691 6.503,692 7.387,693 8.276,694 9.163,695 10.052,696 10.94,697 11.83,715 4,720 8,722 12,727 1,740 6,741 28,743 13,744 2,745 23,747 29,748 14,749 12,750 8,751 4,752 1,756 2,757 2,770 1,772 13,773 1,777 1,782 1,786 1,790 1,791 6,793 6,794 8,795 1,796 8,808 1,809 2,811 1,829 2,857 1,859 2,866 6,868 22,875 1,880 1,892 6,893 7.1,894 1,896 1,901 13.333,902 5.14,903 4.833,904 1.482,907 2.185,908 1.342,909 0.925,910 4.252,911 8.568,912 3.434,913 4.094,914 4.677,915 5.134,916 5.601,917 5.731,918 5.775,919 5.856,920 6.096,921 6.386,922 0.833,923 40,924 8.656,926 4.499,927 0.026,929 9.379,931 13.573,933 11.022,936 3.879,937 85.333,941 58.856,942 104.136,945 67.828,946 89.761,948 104.136,949 126.684,950 89.761,953 80.588,954 30.278,955 61.097,956 89.761,957 58.856,959 58.856,960 104.136,961 157.589,964 148.616,965 25.145,966 42.683,969 104.136,972 148.616,973 67.828,974 104.136,977 58.856,978 66.231,979 37.905,981 157.589,982 58.856,983 157.589,984 104.136,986 0.61,987 0.386,988 0.176,989 0.084,990 16,991 10,992 0.103,993 3,995 1,996 3.13,997 170.933,999 12,1000 98.107,1005 16.066,1006 5.823,1007 2.736,1009 157.589,1010 1.997,1015 -12.763,1017 42.683,1018 320.58,1019 30,1024 11.816,1028 -1.54,1031 31.032,1032 32.948,1034 0.359,1035 0.651,1036 0.781,1037 0.941,1038 0.985,1039 1,1040 4.7,1041 0.7,1042 5.666,1043 3.727,1044 4.234,1045 4.779,1046 2.019,1047 6.547,1048 4.124,1049 5.965,1050 0.289,1051 7.303,1052 1.665,1053 4.111,1054 4.844,1055 1.22,1056 7.609,1057 3.916,1058 7.316,1059 0.284,1060 9.037,1061 0.628,1062 5.922,1063 7.045,1064 2.917,1065 10.725,1066 5.735,1067 8.702,1068 -0.101,1069 10.821,1070 0.615,1071 6.553,1072 7.849,1073 2.638,1074 12.518,1075 6.28,1076 10.114,1077 -0.225,1078 12.634,1079 -0.239,1080 7.913,1081 9.599,1082 3.984,1083 15.196,1084 7.652,1085 11.545,1086 -1.135,1087 14.466,1088 -0.502,1089 8.846,1090 10.722,1091 4.007,1092 17.292,1093 8.515,1094 12.99,1095 -1.138,1096 16.312,1097 -2.789,1098 10.061,1099 12.3,1100 5.117,1101 19.804,1102 9.728,1103 3.227,1104 -1.295,1105 18.168,1106 -2.807,1107 11.117,1108 13.574,1109 5.332,1110 22.043,1111 10.732,1112 3.046,1113 11.068,1114 20.032,1115 -3.28,1116 12.283,1117 15.075,1118 6.282,1119 24.484,1120 11.885,1121 2.662,1122 10.154,1123 21.903,1124 4.213,1125 13.39,1126 16.424,1127 6.624,1128 26.794,1129 12.953,1130 2.24,1131 8.51,1132 23.779,1133 4.123,1134 14.543,1135 17.888,1136 7.467,1137 29.203,1138 14.086,1139 1.824,1140 7.186,1141 25.659,1142 3.314,1143 15.673,1144 19.275,1145 7.895,1146 31.551,1147 15.184,1148 1.66,1149 5.27,1150 27.544,1151 2.904,1152 16.822,1153 20.722,1154 8.665,1155 33.947,1156 16.311,1157 1.414,1158 4.416,1159 29.431,1160 2.371,1161 17.964,1162 22.129,1163 9.152,1164 36.314,1165 17.425,1166 4235,1167 10517,1168 13.759,1169 19.102,1170 34.944,1171 38.374,1172 38.323,1173 34.621,1174 34.693,1175 45.254,1176 4.582,1177 106.478,1178 32.434,1179 5.386,1180 5.891,1181 6.102,1182 5.201,1183 5.227,1184 7.213,1185 3.376,1186 18.829,1187 5.146,1188 15.804,1189 1.519,1190 1.668,1191 1.666,1192 1.505,1193 1.508,1194 1.968,1195 0.199,1196 4.629,1197 1.41,1198 4.003,1199 4.017,1200 3.987,1201 3.906,1202 8.264,1203 3.92,1204 3.889,1205 3.908,1206 3.878,1207 3.792,1208 8.255,1209 3.806,1210 3.425,1211 3.432,1212 3.398,1213 3.223,1214 8.191,1215 3.259,1216 2.954,1217 2.982,1218 2.949,1219 2.75,1220 8.191,1221 2.784,1222 2.931,1223 2.982,1224 2.888,1225 2.73,1226 8.149,1227 2.751,1228 2.931,1229 2.975,1230 2.88,1231 2.73,1232 8.148,1233 2.751,1234 2.669,1235 2.708,1236 2.638,1237 2.359,1238 7.428,1239 2.41,1240 2.434,1241 2.439,1242 2.341,1243 1.88,1244 6.443,1245 1.987,1246 0.198,1247 0.169,1248 0.297,1249 0.183,1250 0.14,1251 4.548,1252 0.183,1253 3.891,1254 0.08,1255 6.828,1256 0.481,1257 4.201,1258 0.137,1259 3.227,1260 4.213,1261 1.848,1262 11.068,1263 3.146,1264 1.925,1265 1.913,1266 1.982,1267 2.039,1268 1.134,1269 2.017,1270 1.833,1271 1.816,1272 1.892,1273 1.947,1274 0.998,1275 1.926,1276 1.301,1277 1.29,1278 1.417,1279 1.54,1280 0.523,1281 1.492,1282 0.828,1283 0.796,1284 0.979,1285 1.074,1286 0.022,1287 1.041,1288 0.828,1289 0.786,1290 0.972,1291 1.074,1293 1.041,1294 0.814,1295 0.786,1296 0.917,1297 1.067,1299 1.005,1300 0.479,1301 0.444,1302 0.712,1303 0.846,1305 0.782,1306 0.123,1307 0.103,1308 0.485,1309 0.669,1311 0.576,1312 3.85,1314 5.209,1316 6.774,1318 8.427,1320 10.12,1324 78.584,1327 9.662,1332 -2.422,1340 20.89,1341 48.283,1342 87.586,1343 105.096,1344 126.606,1345 132.606,1346 134.606,1347 101.399,1348 6.384,1349 37.3,1350 37.3,1351 12,1352 12.359,1353 3.807,1354 3,1355 42.089,1356 67,1357 60,1358 0.321,1359 124.966,1360 239.76,1361 296.678,1362 3903,1363 21.4,1364 16.602,1365 0.755,1366 0.478,1367 11.38,1368 10.51,1369 10.252,1370 0.446,1371 0.25,1372 5.562,1373 9.489,1374 5.574,1375 4.503,1376 7.788,1377 5.745,1378 9.592,1379 0.282,1380 0.125,1381 6.514,1382 4.254,1383 8.895,1384 0.193,1385 0.063,1386 5.616,1387 2.909,1388 6.042,1389 0.116,1390 0.034,1391 4.179,1392 1.757,1393 4.205,1394 0.07,1395 0.018,1396 3.131,1397 1.069,1398 0.486,1399 67.862,1400 0.27,1401 21.209,1402 0.93,1403 114,1404 792.552,1405 141.192,1406 596.283,1407 729.28,1408 544,1409 137,1410 470.909,1411 166.397,1412 436.82,1413 650.91,1414 409,1415 4}
{0 CHEMBL244632,1 1.713,2 8.917,3 4.608,4 21.235,5 74.543,6 10.243,7 0.48,8 3.666,9 3.738,10 3.435,11 3.195,12 5.063,13 3.253,14 4.232,15 4.329,16 3.999,17 3.548,18 6.423,19 3.623,20 4.384,21 4.512,22 3.938,23 3.656,24 6.058,25 3.707,26 4.549,27 4.722,28 3.888,29 3.546,30 6.199,31 3.64,32 4.381,33 4.534,34 3.822,35 3.404,36 6.042,37 3.522,38 4.348,39 4.5,40 3.776,41 3.294,42 6.402,43 3.397,44 4.179,45 4.346,46 3.626,47 3.176,48 6.272,49 3.249,50 3.913,51 4.091,52 3.393,53 2.996,54 5.614,55 3.083,56 0.478,57 0.948,58 2.539,59 3.658,60 106.035,61 2.774,62 1.499,63 2.024,64 7.11,65 6.035,66 286.998,67 4.541,68 1.146,69 1.554,70 8.955,71 7.217,72 208.187,73 6.643,74 1.848,75 1.564,76 18.053,77 7.852,78 350.319,79 6.335,80 1.477,81 1.389,82 13.859,83 6.538,84 290.292,85 5.166,86 1.808,87 1.104,88 14.792,89 6.012,90 357.278,91 4.733,92 1.518,93 1.021,94 13.047,95 5.285,96 292.874,97 4.763,98 0.863,99 1.153,100 7.907,101 4.516,102 149.847,103 4.038,104 69,105 38,106 0.318,107 0.56,108 0.669,109 0.8,110 0.848,111 0.892,112 3.228,113 0.788,114 -5.69,115 -5.55,116 -5.18,121 47.1,129 1,134 2,144 8,145 4,159 1,176 12,180 1,185 1,187 12,192 3,195 1,197 3,200 7,206 4,211 4,214 4,219 3,224 3,227 8,232 1,237 1,239 10,251 8,264 4,277 1,281 772,282 14.72,283 14.72,284 14.72,285 14.72,286 14.72,287 13.307,288 15.285,289 8.222,290 15.223,291 12.284,292 12.284,293 12.284,294 12.284,295 12.284,296 10.027,297 16.321,298 3.855,299 13.257,300 3.374,301 2.067,302 1.478,303 0.772,304 0.515,305 0.28,306 3.875,311 1,312 1,313 432,314 4.472,318 173.19,325 1.431,326 73.761,328 1,329 0.75,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.84,337 59,338 214,339 4.496,340 4.461,341 7.12,342 4.217,343 3.333,344 3.971,345 3.825,346 11.712,347 3.094,348 4.452,349 4.46,350 7.117,351 4.18,352 3.319,353 3.867,354 3.825,355 11.695,356 2.902,357 4.2,358 3.829,359 6.521,360 3.965,361 2.998,362 3.428,363 1.848,364 10.003,365 2.762,366 3.79,367 2.843,368 5.715,369 3.43,370 2.46,371 3.096,372 0.443,373 7.659,374 2.341,375 3.274,376 2.315,377 4.83,378 2.852,379 1.901,380 2.476,382 5.312,383 1.768,384 2.949,385 2.058,386 4.579,387 2.534,388 1.587,389 2.085,391 4.555,392 1.47,393 2.628,394 1.606,395 4.257,396 2.176,397 1.21,398 1.651,400 3.442,401 1.146,402 2.572,403 1.365,404 3.527,405 2.096,406 1.118,407 1.602,409 2.565,410 1.08,411 2.544,412 1.15,413 3.476,414 2.057,415 1.059,416 1.545,418 2.462,419 1.053,420 1.874,421 1.098,422 3.205,423 1.43,424 0.428,425 0.572,427 1.007,428 0.418,429 0.795,430 0.51,431 2.734,432 0.344,433 -0.656,434 -0.863,436 -1.591,437 -0.639,438 0.732,439 0.51,440 2.715,441 0.312,442 -0.668,443 -0.903,445 -1.6,446 -0.658,447 0.623,448 0.51,449 2.309,450 0.168,451 -0.835,452 -1,454 -2.4,455 -0.7,456 0.592,457 0.51,458 2,459 0.145,460 -0.838,461 -1,463 -2.408,464 -0.7,466 -0.205,467 2,468 -0.3,469 -1,470 -1,472 -3,473 -0.7,474 10.381,475 0.433,476 1.088,477 0.045,478 28,479 1.167,480 13.5,481 0.563,482 14.5,483 0.604,484 18.153,485 0.756,486 28.019,487 0.824,488 27.179,489 1.132,490 6.128,491 0.255,492 4.87,493 0.203,494 0.229,495 0.096,496 0.289,498 6,501 0.612,502 0.803,503 0.541,504 0.945,505 0.702,506 0.841,507 0.426,508 0.595,509 0.574,510 0.939,511 0.45,512 0.98,513 0.606,514 0.866,515 0.698,516 1.224,517 0.583,518 1.205,519 1.17,520 0.954,521 1.198,522 0.993,523 1.162,524 1.042,525 1.116,526 0.971,527 1.035,528 1.045,529 1.135,530 0.997,531 0.982,532 0.864,533 1.155,534 0.835,535 1.01,536 0.997,537 0.779,538 0.869,539 0.981,540 0.797,541 0.779,542 0.959,543 0.991,544 1.302,545 0.917,546 1.288,547 0.923,548 1.184,549 8,550 0.223,551 4,552 2.25,553 1.52,554 1.292,555 0.571,556 0.392,557 0.247,558 0.209,559 5381,560 30106,561 1.861,562 29.4,564 9,567 1,572 1.671,573 1.655,574 3.18,575 -0.219,582 58.245,583 1.713,584 3.021,585 3.609,586 4.315,587 4.572,588 4.808,589 2.522,590 3.022,591 4.561,592 3.346,593 923.408,594 7.877,595 10791.7,597 1,600 172.974,601 1.855,602 4.433,603 0.32,604 0.019,605 0.105,606 0.059,607 0.045,608 0.04,609 0.02,610 0.016,611 0.012,612 0.013,613 0.65,614 0.67,615 0.88,616 1.018,617 113.295,618 -0.03,619 0.027,620 -0.023,621 0.076,622 -0.111,623 0.062,624 0.42,625 0.421,626 0.123,627 0.078,628 0.391,629 -0.109,630 0.037,631 -0.152,632 0.078,633 -0.265,634 0.071,635 -0.185,636 -0.267,637 -0.117,638 -0.179,639 -0.054,640 -0.248,641 -0.015,642 -0.244,643 -0.18,644 -0.068,645 -0.117,646 -0.245,647 0.001,648 0.026,649 0.02,650 -0.124,651 0.097,652 0.008,653 -0.033,654 0.189,655 0.022,656 0.077,657 0.153,658 0.186,659 0.066,660 -0.115,661 -0.342,662 0.072,663 -0.299,664 -0.066,665 -0.125,666 5.933,667 5.087,668 0.5,669 17.861,670 1.082,671 1.17,672 4.456,673 19.86,674 0.665,675 3.258,676 3.664,677 3.807,678 3.932,679 4.143,680 4.143,681 4.205,682 4.043,683 3.989,684 4.007,685 5.682,686 0.704,687 348.26,688 3.258,689 4.844,690 5.673,691 6.572,692 7.426,693 8.318,694 9.181,695 10.069,696 10.936,697 11.822,715 8,720 4,722 12,727 1,741 34,743 13,744 2,745 25,747 35,748 16,749 12,750 4,751 8,752 1,756 2,757 2,763 2,769 2,770 1,772 13,773 3,777 1,782 1,786 1,790 1,791 6,793 10,794 8,795 1,796 8,808 1,809 2,811 1,829 2,857 1,859 2,866 6,868 24,875 1,880 1,882 2,892 6,893 5.9,894 1,896 1,901 14.5,902 5.974,903 5,904 1.788,907 2.172,908 1.331,909 0.922,910 4.731,911 8.729,912 3.497,913 4.094,914 4.59,915 5.061,916 5.573,917 5.666,918 5.946,919 5.887,920 6.067,921 6.36,922 0.833,923 38,924 10.135,926 5.65,927 0.026,929 9.215,931 15.092,933 12.253,936 3.715,937 89.167,941 105.94,942 109.205,945 67.828,946 89.761,948 109.205,949 173.768,950 89.761,953 118.493,954 30.278,955 102.503,957 105.94,958 15.519,959 105.94,960 109.205,961 157.589,964 105.94,965 114.906,966 42.683,968 15.519,969 93.686,972 195.701,973 67.828,974 109.205,977 121.459,978 17.876,979 75.81,981 157.589,982 105.94,983 157.589,984 109.205,986 0.615,987 0.334,988 0.147,989 0.082,990 18,991 10,992 0.086,993 3,995 1,996 3.33,997 189.423,999 12,1000 100.529,1005 18.033,1006 6.296,1007 4.168,1009 157.589,1010 6.739,1015 -2.97,1017 42.683,1018 372.734,1019 32,1024 12.087,1028 -1.125,1031 36.8,1032 39.779,1034 0.337,1035 0.594,1036 0.709,1037 0.848,1038 0.899,1039 0.945,1040 4.787,1041 1.118,1042 5.784,1043 3.442,1044 4.344,1045 4.779,1046 3.855,1047 6.691,1048 4.209,1049 6.058,1050 1.059,1051 7.437,1052 2.565,1053 4.443,1054 4.796,1055 4.61,1056 8.102,1057 4.073,1058 7.413,1059 0.428,1060 9.207,1061 2.462,1062 6.151,1063 6.952,1064 6.149,1065 11.046,1066 5.847,1067 8.801,1068 -0.656,1069 11.042,1070 1.007,1071 6.948,1072 7.638,1073 7.39,1074 13.135,1075 6.417,1076 10.215,1077 -0.668,1078 12.914,1079 -1.591,1080 8.294,1081 9.396,1082 8.759,1083 15.735,1084 7.779,1085 11.647,1086 -0.835,1087 14.809,1088 -1.6,1089 9.336,1090 10.382,1091 10.084,1092 18.048,1093 8.639,1094 13.093,1095 -0.838,1096 16.72,1097 -2.4,1098 10.572,1099 11.961,1100 11.429,1101 20.545,1102 9.84,1103 3.333,1104 -1,1105 18.641,1106 -2.408,1107 11.704,1108 13.104,1109 12.768,1110 22.942,1111 10.829,1112 3.319,1113 11.712,1114 20.57,1115 -3,1116 12.906,1117 14.589,1118 14.11,1119 25.407,1120 11.966,1121 2.998,1122 11.695,1123 22.505,1124 3.971,1125 14.073,1126 15.822,1127 15.451,1128 27.836,1129 13.014,1130 2.46,1131 10.003,1132 24.443,1133 3.867,1134 15.265,1135 17.255,1136 16.793,1137 30.291,1138 14.127,1139 1.901,1140 7.659,1141 26.386,1142 3.428,1143 16.446,1144 18.54,1145 18.134,1146 32.734,1147 15.202,1148 1.587,1149 5.312,1150 28.331,1151 3.096,1152 17.638,1153 19.944,1154 19.476,1155 35.188,1156 16.307,1157 1.21,1158 4.555,1159 30.278,1160 2.476,1161 18.826,1162 21.261,1163 20.818,1164 37.638,1165 17.397,1166 5589,1167 13317,1168 14.909,1169 22.625,1170 39.956,1171 38.341,1172 39.89,1173 39.314,1174 38.829,1175 48.586,1176 19.883,1177 120.822,1178 36.069,1179 5.334,1180 6.461,1181 6.662,1182 5.217,1183 5.333,1184 6.971,1185 5.353,1186 19.043,1187 5.094,1188 17.138,1189 1.598,1190 1.534,1191 1.596,1192 1.573,1193 1.553,1194 1.943,1195 0.795,1196 4.833,1197 1.443,1198 4.007,1199 4.026,1200 3.968,1201 3.933,1202 8.517,1203 3.936,1204 3.899,1205 3.924,1206 3.861,1207 3.829,1208 8.509,1209 3.829,1210 3.498,1211 3.514,1212 3.495,1213 3.284,1214 7.999,1215 3.319,1216 3.313,1217 3.356,1218 3.328,1219 3.016,1220 7.999,1221 3.07,1222 3.21,1223 3.251,1224 3.165,1225 2.944,1226 7.999,1227 2.982,1228 2.881,1229 2.925,1230 2.765,1231 2.75,1232 7.999,1233 2.742,1234 2.665,1235 2.73,1236 2.531,1237 2.42,1238 7.428,1239 2.444,1240 2.59,1241 2.655,1242 2.481,1243 2.276,1244 6.444,1245 2.33,1246 0.18,1247 0.178,1248 0.285,1249 0.169,1250 0.133,1251 4.496,1252 0.159,1253 4.461,1254 0.153,1255 7.12,1256 0.468,1257 4.217,1258 0.124,1259 3.333,1260 3.971,1261 3.825,1262 11.712,1263 3.094,1264 1.959,1265 1.942,1266 2.047,1267 2.051,1268 1.186,1269 2.048,1270 1.882,1271 1.86,1272 1.98,1273 1.973,1274 1.088,1275 1.972,1276 1.361,1277 1.348,1278 1.48,1279 1.607,1280 0.615,1281 1.55,1282 1.096,1283 1.063,1284 1.206,1285 1.43,1286 0.269,1287 1.334,1288 1.05,1289 1.007,1290 1.204,1291 1.359,1292 0.259,1293 1.294,1294 0.871,1295 0.825,1296 1.102,1297 1.059,1298 0.185,1299 1.072,1300 0.584,1301 0.527,1302 0.894,1303 0.889,1305 0.894,1306 0.435,1307 0.367,1308 0.642,1309 0.805,1311 0.782,1312 3.932,1314 5.313,1316 6.87,1318 8.495,1320 10.155,1324 75.866,1327 9.928,1332 -2.004,1334 -9.355,1340 23.944,1341 58.245,1342 102.709,1343 122.709,1344 146.709,1345 155.464,1346 163.464,1347 100.451,1348 6.557,1349 37.3,1350 37.3,1351 12,1352 12.357,1353 3.807,1354 3,1355 48.356,1356 82,1357 62,1358 0.296,1359 144.151,1360 274.36,1361 343.488,1362 5117,1363 17.6,1364 18.121,1365 0.755,1366 0.492,1367 13.121,1368 11.819,1369 10.998,1370 0.44,1371 0.263,1372 6.383,1373 10.279,1374 6.366,1375 5.167,1376 8.575,1377 6.566,1378 11.698,1379 0.308,1380 0.131,1381 7.782,1382 4.969,1383 8.196,1384 0.186,1385 0.074,1386 6.27,1387 3.252,1388 5.842,1389 0.117,1390 0.041,1391 4.776,1392 2.043,1393 4.692,1394 0.076,1395 0.022,1396 3.622,1397 1.35,1398 0.456,1399 71.643,1400 0.259,1401 23.125,1402 0.832,1403 126,1404 796.552,1405 164.241,1406 601,1407 737.26,1408 548,1409 145,1410 472.909,1411 170.714,1412 440.742,1413 683.2,1414 411,1415 4}
{0 CHEMBL244633,1 1.573,2 7.111,3 3.531,4 12.468,5 62.506,6 9.47,7 0.632,8 3.371,9 3.44,10 3.114,11 3.025,12 4.773,13 3.036,14 3.811,15 3.899,16 3.466,17 3.339,18 5.285,19 3.356,20 4.085,21 4.223,22 3.613,23 3.361,24 5.767,25 3.407,26 4.026,27 4.155,28 3.531,29 3.133,30 5.956,31 3.229,32 3.813,33 3.915,34 3.332,35 2.958,36 5.8,37 3.055,38 3.594,39 3.7,40 3.068,41 2.892,42 5.209,43 2.933,44 3.59,45 3.752,46 2.971,47 2.8,48 5.378,49 2.802,50 3.405,51 3.646,52 2.293,53 2.487,54 4.721,55 2.392,56 0.12,57 0.432,58 2.428,59 2.355,60 27.32,61 2.205,62 0.218,63 0.686,64 4.32,65 3.735,66 48.136,67 3.498,68 0.504,69 0.911,70 9.44,71 5.061,72 110.256,73 4.918,74 0.741,75 0.852,76 9.973,77 4.551,78 156.675,79 3.649,80 0.669,81 0.607,82 7.936,83 3.464,84 144.979,85 2.359,86 0.326,87 0.527,88 5.136,89 2.888,90 71.601,91 2.148,92 0.463,93 0.749,94 6.124,95 3.145,96 86.87,97 2.772,98 0.307,99 0.484,100 6.821,101 2.863,102 57.306,103 3.119,104 17,105 26,106 0.307,107 0.481,108 0.571,109 0.691,110 0.721,111 0.721,112 2.961,113 0.82,114 -4.91,115 -4.82,116 -4.52,121 53.8,144 8,145 2,146 2,159 2,176 8,180 2,187 8,191 1,192 4,200 5,206 6,214 2,219 6,227 5,232 2,239 6,251 6,264 4,277 1,281 344,282 11.88,283 11.88,284 11.88,285 11.88,286 11.88,287 10.152,288 5.003,289 7.012,290 11.935,291 9.303,292 9.303,293 9.303,294 9.303,295 9.303,296 6.738,297 2.964,298 3.262,299 9.406,300 3.127,301 2.231,302 1.769,303 1.154,304 1,305 1,306 3.609,311 1,312 1,313 264,314 2.828,318 121.571,325 1.012,326 40.447,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 41,338 128,339 4.486,340 3.868,341 6.717,342 4.156,343 3.14,344 4.078,346 10.694,347 3.19,348 4.173,349 3.208,350 6.223,351 3.757,352 2.783,353 3.802,355 9.057,356 2.704,357 3.59,358 2.908,359 5.311,360 3.15,361 2.158,362 2.943,364 6.111,365 2.118,366 2.99,367 2.66,368 4.451,369 2.541,370 1.538,371 2.16,373 4.061,374 1.537,375 2.862,376 1.664,377 3.913,378 2.382,379 1.414,380 2.018,382 3.099,383 1.355,384 2.854,385 1.662,386 3.618,387 2.379,388 1.414,389 1.997,391 2.989,392 1.347,393 2.591,394 1.315,395 3.579,396 2.093,397 1.076,398 1.595,400 2.664,401 1.091,402 2.238,403 1.314,404 3.169,405 1.604,406 0.519,407 0.823,409 1.174,410 0.553,411 1.093,412 0.412,413 2.32,414 0.669,415 -0.249,416 -0.309,418 -0.537,419 -0.218,420 1.092,421 0.386,422 2,423 0.638,424 -0.316,425 -0.429,427 -0.667,428 -0.289,429 0.635,430 -0.25,431 2,432 0.153,433 -0.848,434 -1.208,436 -2.015,437 -0.844,438 0.629,439 -0.663,440 1.794,441 0.152,442 -0.851,443 -1.255,445 -2.015,446 -0.856,447 0.184,448 -0.923,449 1.577,450 -0.246,451 -1.347,452 -1.889,454 -3.459,455 -1.277,456 -0.102,457 -1.152,458 1.382,459 -0.517,460 -1.414,461 -1.889,463 -3.459,464 -1.277,465 -0.111,466 -1.159,467 1.22,468 -0.521,469 -1.414,470 -2,472 -3.502,473 -1.488,474 8.238,475 0.458,476 0.477,477 0.026,478 25.5,479 1.417,480 15,481 0.833,482 10.5,483 0.583,484 9.642,485 0.536,486 18.762,487 0.722,488 18.797,489 1.044,490 5.523,491 0.307,492 3.086,493 0.171,494 0.15,496 0.364,499 2,501 0.498,502 0.742,503 0.546,504 0.857,505 0.539,506 0.793,507 0.641,508 0.953,509 0.703,510 1.102,511 0.668,512 1.019,513 0.94,514 1.102,515 0.8,516 1.071,517 0.924,518 0.942,519 1.333,520 1.149,521 1.058,522 1.015,523 1.329,524 0.915,525 1.37,526 0.851,527 1.123,528 0.777,529 1.448,530 0.783,531 1.263,532 1.041,533 1.17,534 0.995,535 1.325,536 1.029,537 1.09,538 1.233,539 1.254,540 1.141,541 1.014,542 1.238,543 1.11,544 1.153,545 1.482,546 1.136,547 1.002,548 1.356,549 3,551 2.667,552 1.75,553 1.084,554 0.528,555 0.286,556 0.094,557 0.073,559 2447,560 9939,561 1.963,562 30.8,564 8,572 1.591,573 1.8,574 2.859,575 -0.763,579 1,582 40.908,583 1.573,584 2.47,585 2.931,586 3.547,587 3.7,588 3.7,589 2.197,590 2.948,591 4.147,592 2.933,593 448.759,594 7.056,595 4198.48,597 1,599 1,600 122.211,601 1.53,602 4.076,603 0.158,605 0.103,606 0.063,607 0.045,608 0.026,609 0.018,610 0.007,611 0.012,613 0.432,614 0.83,615 1,616 0.714,617 75.147,618 0.003,619 0.022,620 0.007,621 0.032,622 -0.036,623 0.026,624 -0.018,625 -0.143,626 -0.043,627 -0.203,628 -0.042,629 -0.17,630 -0.012,631 -0.161,632 0.138,633 -0.12,634 0.01,635 0.01,636 -0.032,637 -0.022,638 -0.017,639 -0.046,640 -0.009,641 -0.024,642 -0.061,643 0.111,644 -0.136,645 0.164,646 -0.053,647 0.052,648 -0.274,649 -0.176,650 -0.307,651 -0.072,652 -0.287,653 -0.168,654 0.059,655 0.052,656 -0.229,657 -0.14,658 0.049,659 -0.28,660 -0.143,661 -0.023,662 -0.262,663 -0.096,664 -0.131,665 -0.176,666 2.724,667 5.35,668 0.667,669 10.123,670 1.042,671 1.122,672 3.684,673 13.575,674 0.715,675 2.996,676 3.296,677 3.555,678 3.714,679 3.807,680 3.611,681 3.584,682 3.497,683 3.367,684 3.219,685 4.381,686 0.724,687 246.22,688 2.996,689 4.511,690 5.352,691 6.213,692 7.069,693 7.934,694 8.796,695 9.662,696 10.526,697 11.393,715 8,720 4,722 12,727 2,740 2,741 26,743 14,744 2,745 19,747 27,748 14,749 12,750 4,751 8,752 2,756 2,757 2,772 14,777 2,782 2,786 2,790 1,791 2,793 8,794 4,796 4,808 1,809 2,829 2,859 2,866 2,868 18,892 2,893 7.7,896 2,901 10,902 4.786,903 4.056,904 1.467,907 2.195,908 1.37,909 0.975,910 3.293,911 8.135,912 3.332,913 3.912,914 4.494,915 4.961,916 5.385,917 5.293,918 5.499,919 5.633,920 5.719,921 5.901,922 0.8,923 28,924 6.769,926 3.071,927 0.026,929 8.611,931 11.767,933 9.324,936 3.111,937 56,941 94.169,942 110.69,945 50.29,946 29.92,948 110.69,949 144.459,950 29.92,953 75.81,954 60.557,955 24.613,956 29.92,957 94.169,959 94.169,960 110.69,961 80.21,964 124.089,965 50.29,969 110.69,972 124.089,973 50.29,974 110.69,977 94.169,978 34.88,979 75.81,981 80.21,982 94.169,983 80.21,984 110.69,986 0.581,987 0.356,988 0.184,989 0.088,990 12,991 6,992 0.111,993 3,995 1,996 2.928,997 124.99,999 12,1000 57.059,1005 12.128,1006 4.888,1007 2.358,1009 80.21,1010 10.2,1015 -2.309,1018 285.069,1019 27,1024 23.524,1028 -2.114,1031 27.098,1032 29.174,1034 0.335,1035 0.525,1036 0.624,1037 0.755,1038 0.787,1039 0.787,1040 4.533,1041 0.519,1042 5.342,1043 2.664,1044 3.97,1045 4.595,1047 6.159,1048 3.955,1049 5.751,1050 -0.249,1051 6.921,1052 1.174,1053 3.611,1054 4.369,1056 7.13,1057 3.578,1058 7.059,1059 -0.316,1060 8.609,1061 -0.537,1062 5.565,1063 6.779,1065 10.251,1066 5.552,1067 8.407,1068 -0.848,1069 10.361,1070 -0.667,1071 6.043,1072 7.371,1074 12.037,1075 6.033,1076 9.788,1077 -0.851,1078 12.152,1079 -2.015,1080 7.485,1081 9.248,1083 14.685,1084 7.489,1085 11.193,1086 -1.347,1087 13.969,1088 -2.015,1089 8.33,1090 10.221,1092 16.783,1093 8.348,1094 12.617,1095 -1.414,1096 15.804,1097 -3.459,1098 9.575,1099 11.862,1101 19.26,1102 9.606,1103 3.14,1104 -1.414,1105 17.651,1106 -3.459,1107 10.578,1108 13.026,1110 21.493,1111 10.628,1112 2.783,1113 10.694,1114 19.508,1115 -3.502,1116 11.748,1117 14.55,1119 23.902,1120 11.812,1121 2.158,1122 9.057,1123 21.371,1124 4.078,1125 12.82,1126 15.814,1128 26.198,1129 12.905,1130 1.538,1131 6.111,1132 23.24,1133 3.802,1134 13.962,1135 17.277,1137 28.578,1138 14.063,1139 1.414,1140 4.061,1141 25.113,1142 2.943,1143 15.066,1144 18.596,1146 30.906,1147 15.188,1148 1.414,1149 3.099,1150 26.99,1151 2.16,1152 16.199,1153 20.026,1155 33.276,1156 16.339,1157 1.076,1158 2.989,1159 28.869,1160 2.018,1161 17.317,1162 21.376,1164 35.621,1165 17.479,1166 2523,1167 5168,1168 12.137,1169 18.591,1170 28.832,1171 30.613,1172 30.174,1173 28.293,1174 28.085,1175 38.835,1177 79.699,1178 27.789,1179 5.316,1180 5.868,1181 6.402,1182 5.156,1183 5.14,1184 7.078,1186 18.166,1187 5.19,1188 9.434,1189 1.517,1190 1.611,1191 1.588,1192 1.489,1193 1.478,1194 2.044,1196 4.195,1197 1.463,1198 3.987,1199 4.001,1200 3.955,1201 3.906,1202 8.203,1203 3.914,1204 3.863,1205 3.889,1206 3.813,1207 3.794,1208 8.199,1209 3.793,1210 3.393,1211 3.389,1212 3.352,1213 3.221,1214 7.496,1215 3.25,1216 2.913,1217 2.962,1218 2.853,1219 2.751,1220 7.352,1221 2.759,1222 2.899,1223 2.957,1224 2.823,1225 2.733,1226 4.635,1227 2.735,1228 2.87,1229 2.912,1230 2.763,1231 2.733,1232 4.607,1233 2.73,1234 2.58,1235 2.625,1236 2.469,1237 2.348,1238 3.638,1239 2.376,1240 2.28,1241 2.248,1242 2.239,1243 1.773,1244 3.595,1245 1.895,1246 0.236,1247 0.204,1248 0.354,1249 0.219,1250 0.165,1251 4.486,1252 0.215,1253 3.868,1255 6.717,1256 0.563,1257 4.156,1258 0.168,1259 3.14,1260 4.078,1262 10.694,1263 3.19,1264 1.934,1265 1.92,1266 2.017,1267 2.03,1268 1.093,1269 2.023,1270 1.852,1271 1.828,1272 1.961,1273 1.942,1274 1.029,1275 1.948,1276 1.293,1277 1.292,1278 1.381,1279 1.494,1280 0.372,1281 1.453,1282 0.87,1283 0.82,1284 1.137,1285 1.069,1286 0.188,1287 1.084,1288 0.86,1289 0.804,1290 1.113,1291 1.068,1292 0.147,1293 1.079,1294 0.835,1295 0.798,1296 0.996,1297 1.026,1298 0.072,1299 1.016,1300 0.475,1301 0.442,1302 0.695,1303 0.769,1305 0.742,1308 0.306,1309 0.471,1311 0.344,1312 3.664,1314 4.963,1316 6.479,1318 8.085,1320 9.734,1324 26.7,1340 18.83,1341 40.908,1342 64.211,1343 76.211,1344 92.211,1345 96.211,1346 96.211,1347 53.572,1348 5.94,1349 34.14,1350 34.14,1351 12,1352 11.939,1353 3.907,1354 3.17,1355 30.816,1356 47,1357 38,1358 0.335,1359 117.246,1360 212.84,1361 277.841,1362 2279,1363 7.7,1364 13.121,1365 0.729,1366 0.511,1367 11.38,1368 9.191,1369 8.609,1370 0.453,1371 0.273,1372 5.112,1373 8.259,1374 5.04,1375 4.163,1376 7.788,1377 5.191,1378 7.569,1379 0.291,1380 0.139,1381 6.514,1382 3.618,1383 6.536,1384 0.192,1385 0.072,1386 5.616,1387 2.443,1388 5.032,1389 0.126,1390 0.038,1391 4.179,1392 1.535,1393 3.588,1394 0.082,1395 0.021,1396 3.131,1397 0.935,1398 0.5,1399 54.541,1400 0.287,1401 17.775,1402 0.99,1403 90,1404 437.693,1405 101.869,1406 368.255,1407 466.7,1408 338,1409 105,1410 311.939,1411 116.746,1412 304.278,1413 445.26,1414 286,1415 4}
{0 CHEMBL244762,1 1.386,2 22.238,3 5.148,4 26.501,5 175.337,6 6.249,7 0.273,8 4.559,9 4.705,10 3.956,11 4.049,12 5.528,13 3.99,14 5.13,15 5.356,16 4.213,17 4.408,18 6.009,19 4.309,20 5.416,21 5.689,22 4.269,23 4.549,24 6.256,25 4.412,26 5.467,27 5.747,28 4.206,29 4.573,30 6.249,31 4.407,32 5.526,33 5.819,34 4.198,35 4.595,36 6.33,37 4.422,38 5.501,39 5.782,40 4.13,41 4.595,42 6.285,43 4.415,44 5.486,45 5.778,46 4.04,47 4.548,48 6.242,49 4.35,50 5.396,51 5.692,52 3.96,53 4.437,54 6.146,55 4.242,56 0.102,57 1.318,58 22.241,59 8.487,60 13.695,61 12.646,62 0.297,63 2.052,64 39.454,65 12.958,66 32.153,67 20.457,68 0.62,69 2.438,70 52.31,71 16.869,72 62.761,73 26.422,74 0.538,75 2.48,76 54.469,77 18.536,78 55.763,79 28.596,80 0.658,81 2.547,82 57.737,83 19.351,84 81.275,85 29.818,86 0.541,87 2.503,88 56.296,89 19.345,90 63.843,91 29.401,92 0.554,93 2.401,94 55.169,95 19.458,96 62.506,97 29.223,98 0.446,99 2.165,100 50.308,101 17.475,102 54.741,103 26.51,104 21,105 54,106 0.207,107 0.491,108 0.686,109 0.776,110 0.803,111 0.822,112 3.764,113 1.076,114 -3.67,115 -3.63,116 -3.46,121 37,122 2,123 8,127 8,137 2,140 2,144 6,147 2,148 2,158 2,176 10,180 11,185 3,187 6,191 3,192 9,196 1,197 3,200 3,206 5,209 2,211 1,214 4,219 10,222 2,224 2,227 10,232 4,237 2,239 12,243 1,244 5,247 1,249 3,251 14,256 5,261 3,264 8,269 5,274 3,277 5,281 4784,282 28.949,283 28.949,284 28.949,285 28.949,286 28.949,287 26.666,288 35.214,289 18.268,290 29.497,291 21.676,292 21.676,293 21.676,294 21.676,295 21.676,296 18.312,297 46.698,298 8.665,299 22.476,300 5.138,301 3.237,302 1.924,303 1.324,304 1.142,305 1.016,306 4.451,312 1,313 1946,314 5.196,318 570.156,325 4.132,326 32.94,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 89,338 934,339 4.381,340 3.581,341 6.25,342 3.974,343 2.988,344 3.846,345 0.916,346 9.366,347 2.947,348 3.934,349 2.987,350 5.741,351 3.604,352 2.659,353 3.456,354 0.916,355 7.636,356 2.515,357 3.934,358 2.987,359 5.567,360 3.604,361 2.659,362 3.456,363 0.6,364 7.636,365 2.515,366 3.773,367 2.889,368 5.567,369 3.392,370 2.422,371 3.014,372 0.4,373 7.583,374 2.34,375 3.38,376 2.439,377 5.018,378 3.175,379 2.232,380 2.443,381 0.172,382 6.007,383 2.101,384 3.38,385 2.424,386 5.018,387 3.174,388 2.232,389 2.443,390 0.172,391 6.007,392 2.1,393 3.266,394 2.423,395 4.559,396 2.822,397 1.833,398 2.385,400 4.72,401 1.807,402 2.887,403 1.953,404 3.929,405 2.802,406 1.817,407 1.994,409 3.724,410 1.786,411 2.869,412 1.782,413 3.829,414 2.661,415 1.672,416 1.992,418 3.598,419 1.648,420 2.828,421 1.661,422 3.677,423 2.44,424 1.458,425 1.843,427 3.098,428 1.43,429 2.761,430 1.528,431 3.594,432 2.42,433 1.433,434 1.765,436 3.047,437 1.413,438 2.569,439 1.518,440 3.575,441 2.33,442 1.361,443 1.5,445 2.924,446 1.314,447 2.5,448 1.313,449 3.402,450 2.211,451 1.229,452 1.5,454 2.579,455 1.205,456 2.5,457 1.229,458 3.247,459 1.958,460 1,461 1.495,463 2.136,464 0.956,465 2.293,466 1,467 3.247,468 1.958,469 1,470 1.272,472 2.136,473 0.956,474 20.067,475 0.478,476 0.588,477 0.014,478 44,479 1.048,480 18,481 0.429,482 26,483 0.619,484 47.058,485 1.12,486 48.333,487 0.525,488 33.44,489 0.796,490 8.346,491 0.199,492 12.238,493 0.291,494 0.083,496 0.189,501 0.869,502 1.558,503 0.997,504 1.302,505 0.732,506 1.184,507 1.038,508 1.309,509 1.081,510 1.155,511 0.62,512 1.114,513 0.971,514 0.982,515 0.991,516 0.963,517 0.772,518 0.968,519 0.853,520 1.096,521 0.999,522 1.081,523 0.801,524 1.058,525 0.938,526 0.914,527 0.961,528 0.935,529 0.897,530 0.946,531 1.164,532 0.978,533 1.105,534 1.035,535 1.267,536 1.062,537 1.003,538 0.928,539 1.057,540 1.032,541 1.154,542 1.052,543 1.011,544 1.01,545 0.991,546 1.03,547 1.201,548 1.019,549 6,550 0.165,551 2.667,552 1.875,553 1.627,554 0.694,555 0.567,556 0.385,557 0.205,558 0.202,559 40302,560 85380,561 2.023,562 54.3,563 8,564 24,566 2,567 2,569 14,572 1.802,573 1.938,574 4.378,575 0.078,582 127.491,583 1.386,584 3.287,585 4.6,586 5.2,587 5.382,588 5.507,589 3.821,590 3.975,591 5.361,592 4.638,593 3993.43,594 9.425,595 88054.5,600 600.168,601 1.125,602 5.345,603 0.136,604 0.004,605 0.049,606 0.034,607 0.033,608 0.014,609 0.012,610 0.009,611 0.005,612 0.005,613 0.303,614 0.33,615 0.75,616 0.661,617 255.196,618 -0.006,619 -0.23,620 0.041,621 -0.077,622 -0.002,623 -0.026,624 -0.076,625 -0.127,626 -0.054,627 -0.095,628 0.055,629 -0.072,630 0.065,631 0.063,632 0.018,633 0.018,634 0.101,635 0.016,636 0.061,637 -0.098,638 -0.016,639 -0.081,640 0.046,641 -0.06,642 0.044,643 0.049,644 0.023,645 0.037,646 0.083,647 0.032,648 -0.131,649 0.003,650 -0.116,651 -0.04,652 -0.141,653 -0.07,654 -0.048,655 0.019,656 -0.082,657 -0.043,658 -0.11,659 -0.064,660 -0.042,661 -0.085,662 -0.02,663 -0.045,664 -0.095,665 -0.034,666 1.809,667 5.549,668 0.429,669 83.519,670 0.986,671 1.136,672 2.436,673 5.936,674 0.627,675 3.807,676 4.007,677 4.174,678 4.317,679 4.466,680 4.344,681 4.317,682 4.317,683 4.263,684 4.234,685 12.989,686 0.578,687 574.9,688 3.807,689 5.283,690 6.071,691 6.88,692 7.684,693 8.5,694 9.31,695 10.13,696 10.946,697 11.768,698 6.5,700 1,701 2,707 1,708 2,715 8,716 2,720 2,722 12,741 92,743 16,745 44,747 94,748 34,749 10,752 6,756 3,757 3,763 2,770 8,772 16,773 18,777 4,782 1,784 2,785 1,786 4,793 50,794 8,795 2,796 8,802 6,808 1,809 2,822 2,829 3,839 1,841 1,849 4,853 1,855 2,857 1,859 3,864 2,868 42,875 1,876 16,877 1,881 2,893 2.2,895 1,896 1,901 21.667,902 16.45,903 9.889,904 6.304,907 2.588,908 1.338,909 0.925,910 15.939,911 10.255,912 4.007,913 4.419,914 4.84,915 5.232,916 5.645,917 5.496,918 5.556,919 5.641,920 5.593,921 5.518,922 0.933,923 55,924 15.624,926 6.249,927 0.026,929 7.56,931 30.762,933 24.282,936 2.06,937 86.5,941 565.013,942 164.838,943 74.616,945 67.828,948 164.838,949 632.841,950 74.616,951 17.65,952 37.122,953 93.821,954 135.589,955 46.642,957 541.471,959 565.013,960 239.454,961 67.828,964 400.217,965 232.624,968 119.426,969 64.748,970 55.28,972 565.013,973 142.444,974 164.838,977 565.013,978 53.282,979 117.804,980 18.011,981 118.185,982 565.013,983 142.444,984 164.838,986 0.546,987 0.31,988 0.162,989 0.089,990 17,991 8,992 0.223,993 21,995 1,996 5.605,997 349.921,999 18,1000 226.477,1005 33.489,1006 19.99,1007 13.236,1009 142.444,1010 15.819,1011 8.851,1015 2.223,1017 60.694,1018 872.295,1019 54,1024 12.549,1026 2.98,1027 4.463,1028 0.791,1031 90.705,1032 104.543,1034 0.212,1035 0.504,1036 0.705,1037 0.797,1038 0.825,1039 0.844,1040 5.193,1041 1.817,1042 5.974,1043 4.72,1044 4.691,1045 5.106,1046 1.619,1047 6.635,1048 4.621,1049 6.307,1050 1.672,1051 7.434,1052 3.724,1053 3.892,1054 4.477,1055 0.57,1056 7.222,1057 3.769,1058 7.542,1059 1.458,1060 8.995,1061 3.598,1062 6.133,1063 7.052,1064 1.171,1065 10.291,1066 5.99,1067 8.811,1068 1.433,1069 10.62,1070 3.098,1071 6.217,1072 7.289,1073 0.674,1074 11.756,1075 6.025,1076 10.116,1077 1.361,1078 12.288,1079 3.047,1080 7.828,1081 9.292,1082 0.92,1083 14.289,1084 7.618,1085 11.447,1086 1.229,1087 13.985,1088 2.924,1089 8.363,1090 9.967,1091 0.66,1092 16.13,1093 8.119,1094 12.798,1095 1,1096 15.704,1097 2.579,1098 9.68,1099 11.691,1100 0.757,1101 18.466,1102 9.419,1103 2.988,1104 1,1105 17.438,1106 2.136,1107 10.461,1108 12.612,1109 0.611,1110 20.488,1111 10.179,1112 2.659,1113 9.366,1114 19.184,1115 2.136,1116 11.637,1117 14.179,1118 0.64,1119 22.748,1120 11.339,1121 2.659,1122 7.636,1123 20.94,1124 3.846,1125 12.551,1126 15.249,1127 0.55,1128 24.862,1129 12.241,1130 2.422,1131 7.636,1132 22.703,1133 3.456,1134 13.662,1135 16.723,1136 0.548,1137 27.096,1138 13.338,1139 2.232,1140 7.583,1141 24.473,1142 3.456,1143 14.648,1144 17.885,1145 0.487,1146 29.26,1147 14.317,1148 2.232,1149 6.007,1150 26.249,1151 3.014,1152 15.731,1153 19.303,1154 0.471,1155 31.486,1156 15.39,1157 1.833,1158 6.007,1159 28.03,1160 2.443,1161 16.758,1162 20.525,1163 0.427,1164 33.679,1165 16.411,1166 39032,1167 57022,1168 29.583,1169 57.694,1170 61.92,1171 62.332,1172 63.272,1173 61.31,1174 61.259,1175 74.495,1176 6.355,1177 154.813,1178 59.155,1179 5.346,1180 5.581,1181 6.114,1182 5.014,1183 4.988,1184 6.846,1185 1.605,1186 16.052,1187 4.947,1188 18.879,1189 1.407,1190 1.417,1191 1.438,1192 1.393,1193 1.392,1194 1.693,1195 0.144,1196 3.518,1197 1.344,1198 3.966,1199 4.015,1200 3.9,1201 3.836,1202 7.428,1203 3.845,1204 3.891,1205 3.939,1206 3.834,1207 3.772,1208 6.469,1209 3.783,1210 3.887,1211 3.927,1212 3.816,1213 3.767,1214 4.901,1215 3.773,1216 3.753,1217 3.818,1218 3.606,1219 3.619,1220 4.878,1221 3.605,1222 3.736,1223 3.794,1224 3.599,1225 3.61,1226 4.618,1227 3.597,1228 3.606,1229 3.685,1230 3.462,1231 3.422,1232 4.352,1233 3.42,1234 3.572,1235 3.646,1236 3.413,1237 3.4,1238 4.28,1239 3.393,1240 3.401,1241 3.487,1242 3.233,1243 3.219,1244 4.25,1245 3.208,1246 0.1,1247 0.081,1248 0.142,1249 0.09,1250 0.068,1251 4.381,1252 0.087,1253 3.581,1254 0.021,1255 6.25,1256 0.213,1257 3.974,1258 0.067,1259 2.988,1260 3.846,1261 0.916,1262 9.366,1263 2.947,1264 1.867,1265 1.831,1266 2.043,1267 2.026,1268 1.38,1269 2.031,1270 1.862,1271 1.817,1272 2.037,1273 2.018,1274 1.377,1275 2.025,1276 1.85,1277 1.814,1278 1.978,1279 1.998,1280 1.184,1281 1.991,1282 1.763,1283 1.702,1284 1.968,1285 1.924,1286 1.176,1287 1.946,1288 1.735,1289 1.68,1290 1.901,1291 1.891,1292 1.034,1293 1.905,1294 1.593,1295 1.516,1296 1.85,1297 1.805,1298 1.005,1299 1.824,1300 1.569,1301 1.495,1302 1.828,1303 1.771,1304 0.95,1305 1.795,1306 1.408,1307 1.325,1308 1.719,1309 1.63,1310 0.933,1311 1.664,1312 4.489,1314 5.72,1316 7.133,1318 8.634,1320 10.183,1322 4.379,1327 10.439,1328 15.939,1329 3.226,1333 4.842,1340 53.148,1341 127.491,1342 302.408,1343 423.174,1344 478.393,1345 495.148,1346 506.658,1347 112.811,1348 7.667,1349 93.95,1350 93.95,1351 18,1352 12.349,1353 4.087,1354 3.459,1355 95.579,1356 331,1357 286,1358 0.132,1359 334.214,1360 595.06,1361 807.243,1362 31578,1364 29.832,1365 0.71,1366 0.611,1367 29.832,1368 25.679,1369 20.584,1370 0.468,1371 0.359,1372 15.622,1373 19.945,1374 15.236,1375 12.768,1376 20.584,1377 15.785,1378 16.664,1379 0.309,1380 0.201,1381 16.664,1382 10.854,1383 13.271,1384 0.207,1385 0.118,1386 13.271,1387 7.576,1388 10.115,1389 0.137,1390 0.068,1391 10.115,1392 4.999,1393 7.996,1394 0.093,1395 0.039,1396 7.996,1397 3.376,1398 0.226,1399 127.7,1400 0.184,1401 39.745,1402 0.319,1403 196,1404 494.444,1405 211.253,1406 482.87,1407 653.43,1408 454,1409 216,1410 465.624,1411 232.143,1412 473.399,1413 679.34,1414 446,1415 6.903}
{0 CHEMBL244837,1 1.43,2 12.207,3 4.589,4 21.056,5 112.898,6 7.49,7 0.563,8 4.051,9 4.145,10 3.631,11 3.606,12 5.172,13 3.593,14 4.576,15 4.731,16 3.972,17 3.975,18 5.628,19 3.957,20 4.753,21 4.888,22 4.107,23 4.137,24 5.864,25 4.097,26 4.932,27 5.14,28 4.058,29 4.133,30 6.002,31 4.065,32 4.864,33 5.053,34 3.93,35 4.096,36 5.92,37 4.009,38 4.845,39 5.074,40 3.822,41 4.045,42 5.796,43 3.929,44 4.771,45 4.995,46 3.698,47 3.915,48 5.762,49 3.815,50 4.535,51 4.729,52 3.592,53 3.797,54 5.554,55 3.702,56 0.011,57 0.666,58 10.266,59 5.051,60 6.755,61 6.129,62 0.239,63 1.099,64 20.169,65 7.962,66 19.45,67 9.738,68 0.223,69 1.288,70 23.127,71 10.157,72 24.358,73 12.47,74 0.494,75 1.51,76 31.312,77 11.825,78 53.196,79 15.447,80 0.601,81 1.4,82 28.859,83 11.098,84 53.905,85 14.094,86 0.302,87 1.383,88 28.722,89 11.622,90 40.222,91 15.688,92 0.459,93 1.24,94 27.835,95 10.245,96 52.602,97 13.154,98 0.186,99 1.019,100 20.184,101 8.29,102 30.762,103 10.664,104 21,105 45,106 0.237,107 0.523,108 0.675,109 0.794,110 0.824,111 0.844,112 3.408,113 0.884,114 -4.12,115 -4.07,116 -3.85,121 46.2,126 3,127 2,144 10,145 4,146 4,159 1,176 11,180 10,187 12,191 1,192 12,200 8,205 2,206 8,214 6,218 3,219 4,227 9,231 1,232 3,239 9,243 1,244 7,251 8,256 5,264 6,268 1,269 3,277 5,281 1326,282 19.842,283 19.842,284 19.842,285 19.842,286 19.842,287 17.614,288 25.768,289 11.607,290 20.368,291 15.692,292 15.692,293 15.692,294 15.692,295 15.692,296 12.135,297 36.083,298 5.383,299 16.346,300 4.271,301 2.549,302 1.634,303 0.919,304 0.736,305 0.62,306 4.106,311 1,312 1,313 766,314 3.391,318 290.98,322 214.513,325 1.952,326 25.603,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 62.5,338 354,339 4.592,340 3.703,341 6.796,342 4.234,343 3.249,344 4.267,345 0.995,346 11.164,347 3.204,348 4.224,349 3.186,350 6.219,351 3.812,352 2.851,353 3.872,354 0.86,355 9.287,356 2.739,357 3.94,358 3.06,359 5.869,360 3.628,361 2.662,362 3.456,363 0.86,364 8.061,365 2.577,366 3.84,367 2.893,368 5.559,369 3.461,370 2.473,371 3.259,372 0.86,373 7.52,374 2.436,375 3.524,376 2.657,377 5.375,378 3.175,379 2.214,380 2.828,381 0.359,382 6.881,383 2.119,384 3.363,385 2.424,386 5.187,387 3.023,388 2.077,389 2.561,391 6.26,392 1.939,393 3.104,394 2.196,395 4.636,396 2.794,397 1.838,398 2.242,400 4.958,401 1.749,402 2.907,403 2.053,404 4.492,405 2.505,406 1.583,407 2.036,409 4.358,410 1.452,411 2.78,412 1.542,413 3.925,414 2.377,415 1.387,416 1.863,418 2.995,419 1.37,420 2.564,421 1.482,422 3.573,423 2.094,424 1.115,425 1.527,427 2.813,428 1.081,429 2.5,430 1.253,431 3.42,432 2,433 1,434 1.5,436 2.136,437 1,438 1.986,439 1.015,440 3.247,441 1.62,442 0.678,443 0.843,445 1.457,446 0.628,447 1.511,448 1,449 2.973,450 1.234,451 0.383,452 0.417,454 0.556,455 0.323,456 1.376,457 0.602,458 2.91,459 1.033,460 0.05,461 0.059,463 0.132,464 0.048,465 1.234,466 0.381,467 2.685,468 0.933,474 13.733,475 0.474,476 0.674,477 0.023,478 39.5,479 1.362,480 21,481 0.724,482 18.5,483 0.638,484 22.153,485 0.764,486 30.667,487 0.59,488 31.068,489 1.071,490 8.253,491 0.285,492 5.831,493 0.201,494 0.133,496 0.357,501 0.789,502 1.238,503 0.754,504 1.112,505 0.627,506 0.957,507 1.253,508 0.798,509 0.859,510 0.749,511 0.78,512 0.723,513 0.973,514 1.268,515 0.975,516 1.213,517 0.875,518 1.116,519 0.933,520 1.011,521 0.894,522 0.966,523 1.034,524 0.926,525 1.08,526 1.001,527 1.142,528 1.02,529 1.199,530 1.08,531 0.64,532 1.067,533 0.906,534 1.082,535 0.598,536 1.049,537 1.28,538 0.867,539 1.067,540 0.869,541 1.467,542 0.926,543 0.987,544 1.156,545 1.098,546 1.157,547 1.267,548 1.15,549 6,550 0.169,551 2.889,552 2.313,553 2.164,554 1.069,555 0.705,556 0.38,557 0.282,558 0.224,559 11106,560 28432,561 2.09,562 44.2,564 23,572 1.718,573 1.955,574 3.563,575 -0.819,582 74.342,583 1.43,584 3.152,585 4.066,586 4.782,587 4.965,588 5.08,589 3.069,590 4.513,591 4.825,592 3.717,593 1509.25,594 8.396,595 20419.1,597 1,600 296.423,601 1.416,602 4.788,603 0.188,604 0.008,605 0.064,606 0.047,607 0.048,608 0.027,609 0.02,610 0.012,611 0.01,612 0.01,613 0.435,614 0.5,615 1,616 0.828,617 147.899,618 -0.006,619 -0.161,620 0.071,621 -0.092,622 -0.037,623 -0.015,624 -0.158,625 0.277,626 0.078,627 0.221,628 -0.039,629 0.204,630 0.036,631 -0.247,632 -0.07,633 -0.214,634 0.04,635 -0.171,636 0.114,637 -0.015,638 0.101,639 0.001,640 0.125,641 0.043,642 0.046,643 -0.005,644 -0.16,645 -0.048,646 -0.065,647 -0.125,648 0.113,649 -0.107,650 0.062,651 -0.089,652 0.132,653 -0.033,654 -0.121,655 0.085,656 -0.04,657 0.103,658 -0.137,659 0.051,660 -0.088,661 -0.17,662 -0.149,663 -0.167,664 -0.119,665 -0.169,666 1.744,667 5.964,668 0.69,669 31.056,670 1.003,671 1.114,672 2.893,673 8.371,674 0.677,675 3.497,676 3.829,677 4.127,678 4.419,679 4.691,680 4.82,681 4.977,682 5.153,683 5.273,684 5.313,685 7.005,686 0.648,687 389.48,688 3.497,689 5.043,690 5.905,691 6.795,692 7.675,693 8.572,694 9.461,695 10.364,696 11.259,697 12.166,698 1.9,701 1,715 10,720 8,722 18,727 1,739 3,741 52,743 19,744 3,745 32,747 55,748 24,749 18,750 8,751 10,752 1,756 4,757 7,772 19,773 5,777 1,782 1,786 1,790 1,793 23,794 5,796 5,802 1,808 0.5,809 4,829 4,833 2,855 1,859 2,864 3,868 29,876 2,878 3,881 1,893 7.7,896 1,898 3,901 14.833,902 10.45,903 6.472,904 2.893,907 3.344,908 1.422,909 0.984,910 5.564,911 11.265,912 3.761,913 4.363,914 4.958,915 5.533,916 6.097,917 6.369,918 6.742,919 7.142,920 7.519,921 7.839,922 1,923 49,924 10.723,926 4.528,927 0.026,929 7.69,931 20.485,933 16.602,936 2.19,937 63.5,939 1,940 1,941 270.735,942 167.986,943 3.124,945 58.145,948 167.986,949 328.88,950 3.124,951 30.162,952 4.211,953 94.762,954 30.278,955 69.84,957 270.735,959 270.735,960 171.11,961 58.145,964 270.735,965 58.145,968 7.336,969 163.774,972 270.735,973 61.269,974 167.986,977 270.735,978 43.061,979 128.049,981 58.145,982 270.735,983 61.269,984 167.986,986 0.577,987 0.348,988 0.195,989 0.107,990 22,991 10,992 0.109,993 6,994 2,995 1.2,996 4.041,997 258.269,998 0.2,999 20,1000 136.881,1005 19.496,1006 8.276,1007 3.998,1009 61.269,1010 19.455,1015 5.457,1018 499.99,1019 42,1024 12.964,1028 -0.077,1031 52.131,1032 57.903,1034 0.251,1035 0.553,1036 0.713,1037 0.839,1038 0.871,1039 0.891,1040 5.001,1041 1.583,1042 5.894,1043 4.958,1044 4.511,1045 5.05,1046 2.013,1047 6.723,1048 4.441,1049 6.208,1050 1.387,1051 7.462,1052 4.358,1053 4.111,1054 4.844,1055 0.325,1056 7.633,1057 4.021,1058 7.518,1059 1.115,1060 9.128,1061 2.995,1062 6.12,1063 7.236,1064 1.747,1065 10.751,1066 6.001,1067 8.863,1068 1,1069 10.85,1070 2.813,1071 6.524,1072 7.823,1073 0.504,1074 12.469,1075 6.389,1076 10.238,1077 0.678,1078 12.61,1079 2.136,1080 8.005,1081 9.699,1082 1.534,1083 15.117,1084 7.85,1085 11.635,1086 0.383,1087 14.395,1088 1.457,1089 8.792,1090 10.672,1091 0.585,1092 17.196,1093 8.624,1094 13.051,1095 0.05,1096 16.199,1097 0.556,1098 10.062,1099 12.319,1100 1.356,1101 19.681,1102 9.878,1103 3.249,1105 18.018,1106 0.132,1107 11.039,1108 13.498,1109 0.622,1110 21.93,1111 10.843,1112 2.851,1113 11.164,1114 19.849,1116 12.227,1117 15.034,1118 1.208,1119 24.357,1120 12.018,1121 2.662,1122 9.287,1123 21.691,1124 4.267,1125 13.296,1126 16.326,1127 0.639,1128 26.687,1129 13.077,1130 2.473,1131 8.061,1132 23.541,1133 3.872,1134 14.457,1135 17.808,1136 1.086,1137 29.097,1138 14.226,1139 2.214,1140 7.52,1141 25.399,1142 3.456,1143 15.573,1144 19.164,1145 0.646,1146 31.465,1147 15.331,1148 2.077,1149 6.881,1150 27.264,1151 3.259,1152 16.727,1153 20.619,1154 0.986,1155 33.87,1156 16.475,1157 1.838,1158 6.26,1159 29.135,1160 2.828,1161 17.867,1162 22.011,1163 0.648,1164 36.258,1165 17.604,1166 10591,1167 17122,1168 21.383,1169 35.199,1170 47.673,1171 49.408,1172 49.611,1173 47.117,1174 47.121,1175 61.461,1176 7.867,1177 137.151,1178 45.331,1179 5.466,1180 5.703,1181 6.598,1182 5.332,1183 5.249,1184 7.267,1185 1.855,1186 18.714,1187 5.204,1188 14.077,1189 1.49,1190 1.544,1191 1.55,1192 1.472,1193 1.473,1194 1.921,1195 0.246,1196 4.286,1197 1.417,1198 4.064,1199 4.072,1200 4.033,1201 3.98,1202 7.427,1203 3.99,1204 3.916,1205 3.948,1206 3.844,1207 3.849,1208 4.98,1209 3.843,1210 3.81,1211 3.83,1212 3.757,1213 3.737,1214 4.768,1215 3.739,1216 3.522,1217 3.588,1218 3.415,1219 3.323,1220 4.742,1221 3.336,1222 3.308,1223 3.348,1224 3.203,1225 3.098,1226 4.497,1227 3.117,1228 3.249,1229 3.314,1230 3.069,1231 2.955,1232 4.392,1233 2.968,1234 3.087,1235 3.135,1236 2.949,1237 2.889,1238 4.157,1239 2.884,1240 2.968,1241 3.053,1242 2.813,1243 2.803,1244 3.928,1245 2.792,1246 0.143,1247 0.116,1248 0.212,1249 0.132,1250 0.102,1251 4.592,1252 0.133,1253 3.703,1254 0.031,1255 6.796,1256 0.349,1257 4.234,1258 0.1,1259 3.249,1260 4.267,1261 0.995,1262 11.164,1263 3.204,1264 1.997,1265 1.989,1266 2.074,1267 2.097,1268 1.245,1269 2.086,1270 1.912,1271 1.883,1272 2.032,1273 2.009,1274 1.155,1275 2.018,1276 1.792,1277 1.774,1278 1.893,1279 1.896,1280 1.042,1281 1.898,1282 1.474,1283 1.407,1284 1.714,1285 1.705,1286 0.835,1287 1.711,1288 1.239,1289 1.197,1290 1.576,1291 1.524,1292 0.584,1293 1.54,1294 1.191,1295 1.116,1296 1.557,1297 1.506,1298 0.574,1299 1.52,1300 1.068,1301 1.006,1302 1.37,1303 1.27,1304 0.523,1305 1.292,1306 0.998,1307 0.915,1308 1.32,1309 1.221,1310 0.491,1311 1.269,1312 4.174,1314 5.501,1316 7.038,1318 8.675,1320 10.367,1322 5.18,1328 1.593,1330 16.703,1333 2.226,1340 33.675,1341 74.342,1342 163.879,1343 211.429,1344 248.648,1345 258.158,1346 264.158,1347 48.427,1348 7.921,1349 51.91,1350 51.91,1351 24,1352 12.686,1353 4.322,1354 3.459,1355 44.866,1356 122,1357 127,1358 0.181,1359 204.918,1360 361.38,1361 491.761,1362 30746,1364 20.38,1365 0.703,1366 0.578,1367 20.38,1368 16.768,1369 14.084,1370 0.44,1371 0.295,1372 9.266,1373 13.49,1374 8.927,1375 7.472,1376 14.084,1377 9.427,1378 12.51,1379 0.278,1380 0.158,1381 12.51,1382 7.123,1383 10.804,1384 0.177,1385 0.082,1386 10.804,1387 4.989,1388 9.331,1389 0.114,1390 0.044,1391 9.331,1392 3.586,1393 7.606,1394 0.07,1395 0.023,1396 7.606,1397 2.446,1398 0.287,1399 88.826,1400 0.216,1401 27.659,1402 0.492,1403 154,1404 464.587,1405 167.817,1406 439.661,1407 602.72,1408 414,1409 183,1410 439.761,1411 198.565,1412 450.12,1413 658.14,1414 418,1415 4.519}
{0 CHEMBL244838,1 1.409,2 13.774,3 4.491,4 20.169,5 121.822,6 7.42,7 0.529,8 4.116,9 4.213,10 3.687,11 3.678,12 5.24,13 3.66,14 4.633,15 4.79,16 4.01,17 4.045,18 5.677,19 4.017,20 4.811,21 4.954,22 4.141,23 4.211,24 5.904,25 4.157,26 4.996,27 5.206,28 4.101,29 4.21,30 6.061,31 4.131,32 4.955,33 5.155,34 4.002,35 4.169,36 6.024,37 4.08,38 4.908,39 5.137,40 3.84,41 4.11,42 5.88,43 3.988,44 4.784,45 5.023,46 3.704,47 3.991,48 5.712,49 3.865,50 4.619,51 4.829,52 3.623,53 3.846,54 5.627,55 3.742,56 0.001,57 0.709,58 11.145,59 5.438,60 8.272,61 6.673,62 0.238,63 1.166,64 21.495,65 8.548,66 20.937,67 10.549,68 0.187,69 1.376,70 24.683,71 10.982,72 24.554,73 13.786,74 0.451,75 1.623,76 33.234,77 12.828,78 55.672,79 16.911,80 0.538,81 1.533,82 32.004,83 12.27,84 61.064,85 15.743,86 0.377,87 1.459,88 30.987,89 12.4,90 50.504,91 16.515,92 0.241,93 1.299,94 27.465,95 11.041,96 40.984,97 14.862,98 0.348,99 1.099,100 22.922,101 8.93,102 42.077,103 11.644,104 21,105 47,106 0.23,107 0.528,108 0.682,109 0.776,110 0.807,111 0.819,112 3.471,113 0.889,114 -4.46,115 -4.39,116 -4.14,121 46.4,126 3,127 2,138 1,139 1,144 11,145 4,146 3,159 1,176 14,180 9,187 16,191 1,192 11,200 11,205 2,206 10,214 6,218 2,219 7,227 9,231 1,232 5,239 13,244 3,251 13,255 2,256 5,264 10,269 4,277 6,281 1659,282 21.256,283 21.256,284 21.256,285 21.256,286 21.256,287 18.807,288 24.69,289 12.495,290 21.787,291 16.658,292 16.658,293 16.658,294 16.658,295 16.658,296 12.824,297 32.449,298 5.775,299 17.297,300 4.398,301 2.57,302 1.626,303 1.054,304 0.862,305 0.79,306 4.169,311 1,312 1,313 922,314 3.391,318 397.417,322 151.238,325 2.248,326 25.608,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 66.5,338 427,339 4.564,340 3.675,341 6.762,342 4.204,343 3.212,344 4.212,345 0.995,346 11.012,347 3.193,348 4.23,349 3.192,350 6.243,351 3.829,352 2.859,353 3.826,354 0.86,355 9.356,356 2.773,357 3.964,358 3.041,359 5.905,360 3.649,361 2.683,362 3.459,363 0.86,364 8.134,365 2.596,366 3.893,367 2.731,368 5.572,369 3.5,370 2.518,371 3.388,372 0.86,373 7.63,374 2.474,375 3.661,376 2.718,377 5.339,378 3.308,379 2.338,380 2.997,381 0.359,382 6.941,383 2.257,384 3.293,385 2.506,386 5.074,387 2.944,388 1.99,389 2.497,391 5.769,392 1.885,393 3.168,394 2.195,395 4.684,396 2.834,397 1.882,398 2.297,400 5.076,401 1.779,402 2.967,403 2.124,404 4.534,405 2.514,406 1.544,407 2.111,409 4.392,410 1.49,411 2.772,412 1.725,413 4.145,414 2.373,415 1.398,416 1.841,418 3.436,419 1.362,420 2.699,421 1.491,422 3.57,423 2.251,424 1.34,425 1.66,427 2.987,428 1.202,429 2.5,430 1.267,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.5,439 1.015,440 3.263,441 2,442 1,443 1.5,445 2.136,446 1,447 1.966,448 1,449 3.247,450 1.554,451 0.624,452 0.777,454 1.254,455 0.568,456 1.553,457 1,458 3.028,459 1.278,460 0.403,461 0.443,463 0.694,464 0.345,465 1.422,466 0.799,467 2.843,468 1.143,469 0.199,470 0.235,472 0.394,473 0.188,474 14.733,475 0.475,476 0.674,477 0.022,478 42,479 1.355,480 22.5,481 0.726,482 19.5,483 0.629,484 23.82,485 0.768,486 32.667,487 0.583,488 33.709,489 1.087,490 8.854,491 0.286,492 6.23,493 0.201,494 0.124,496 0.333,501 0.788,502 1.223,503 0.767,504 1.103,505 0.625,506 0.96,507 1.279,508 0.79,509 0.897,510 0.749,511 0.811,512 0.745,513 0.866,514 1.266,515 0.975,516 1.219,517 0.841,518 1.134,519 0.883,520 1.049,521 0.912,522 1.011,523 1.021,524 0.969,525 1.118,526 1.007,527 1.092,528 1.017,529 1.227,530 1.043,531 0.831,532 0.966,533 0.988,534 1.003,535 0.933,536 1.02,537 0.804,538 0.957,539 0.932,540 0.964,541 1.056,542 0.971,543 1.042,544 0.939,545 1.074,546 0.968,547 1.476,548 1.021,549 6,550 0.177,551 3.333,552 2.188,553 2.142,554 1.118,555 0.745,556 0.342,557 0.282,558 0.204,559 14172,560 35941,561 2.084,562 44.6,564 24,565 1,572 1.732,573 1.958,574 3.721,575 -0.831,577 1,582 78.904,583 1.409,584 3.237,585 4.181,586 4.753,587 4.945,588 5.017,589 3.268,590 4.503,591 4.922,592 3.9,593 1813.45,594 8.571,595 26640,597 1,600 325.212,601 1.383,602 4.888,603 0.176,604 0.008,605 0.071,606 0.043,607 0.046,608 0.027,609 0.021,610 0.011,611 0.01,612 0.008,613 0.42,614 0.33,615 1,616 0.796,617 163.637,618 -0.001,619 -0.149,620 0.068,621 -0.085,622 -0.027,623 -0.013,624 -0.17,625 0.283,626 0.044,627 0.223,628 -0.06,629 0.185,630 0.06,631 -0.246,632 -0.073,633 -0.216,634 0.051,635 -0.176,636 0.13,637 -0.05,638 0.075,639 -0.039,640 0.128,641 0.003,642 0.031,643 -0.017,644 -0.097,645 -0.046,646 0.001,647 -0.083,648 0.039,649 -0.011,650 -0.005,651 -0.01,652 0.045,653 -0.014,654 -0.024,655 -0.002,656 0.046,657 0.031,658 -0.044,659 0.045,660 -0.016,661 0.047,662 -0.087,663 0.01,664 -0.156,665 -0.045,666 1.767,667 6.098,668 0.71,669 37.116,670 1,671 1.113,672 3.233,673 10.451,674 0.678,675 3.555,676 3.871,677 4.159,678 4.419,679 4.663,680 4.736,681 4.883,682 4.997,683 5.106,684 5.136,685 7.895,686 0.646,687 415.52,688 3.555,689 5.094,690 5.948,691 6.825,692 7.696,693 8.58,694 9.458,695 10.346,696 11.229,697 12.12,698 1.8,701 1,715 11,720 7,722 18,727 1,739 3,741 56,743 20,744 3,745 34,747 59,748 26,749 18,750 7,751 11,752 3,756 4,757 5,772 21,773 5,777 2,782 1,784 1,786 2,790 1,793 25,794 5,796 5,802 1,808 0.75,809 4,829 4,833 1,850 1,855 1,859 3,864 3,868 31,876 2,878 3,881 1,893 7.1,896 1,898 3,901 15.833,902 11.117,903 6.972,904 3.101,907 3.619,908 1.457,909 0.98,910 6.402,911 11.534,912 3.829,913 4.413,914 4.999,915 5.543,916 6.082,917 6.297,918 6.662,919 6.988,920 7.335,921 7.653,922 1,923 51,924 11.45,926 4.792,927 0.026,929 7.677,931 21.9,933 17.613,936 2.177,937 67.5,940 1,941 294.278,942 186.938,943 3.124,945 58.145,948 186.938,949 352.422,950 3.124,951 30.162,952 15.746,953 104.239,954 30.278,955 67.782,956 11.771,957 282.506,959 294.278,960 190.063,961 58.145,964 294.278,965 58.145,968 7.336,969 182.727,972 294.278,973 61.269,974 186.938,977 294.278,978 41.003,979 149.06,981 58.145,982 294.278,983 61.269,984 186.938,986 0.574,987 0.347,988 0.191,989 0.104,990 22,991 10,992 0.119,993 7,994 1,995 1.091,996 4.272,997 275.433,998 0.091,999 22,1000 145.58,1005 21.165,1006 9.377,1007 4.657,1009 61.269,1010 21.753,1015 5.222,1018 542.485,1019 45,1024 13.098,1026 1.507,1028 0.417,1031 56.014,1032 62.318,1034 0.243,1035 0.557,1036 0.72,1037 0.819,1038 0.852,1039 0.864,1040 5.059,1041 1.544,1042 5.927,1043 5.076,1044 4.554,1045 5.1,1046 2.013,1047 6.737,1048 4.492,1049 6.261,1050 1.398,1051 7.485,1052 4.392,1053 4.111,1054 4.832,1055 0.325,1056 7.633,1057 4.043,1058 7.564,1059 1.34,1060 9.142,1061 3.436,1062 6.146,1063 7.265,1064 1.747,1065 10.735,1066 6.046,1067 8.903,1068 1,1069 10.858,1070 2.987,1071 6.524,1072 7.803,1073 0.504,1074 12.453,1075 6.422,1076 10.272,1077 1,1078 12.612,1079 2.275,1080 8.014,1081 9.701,1082 1.534,1083 15.08,1084 7.891,1085 11.664,1086 0.624,1087 14.392,1088 2.136,1089 8.779,1090 10.631,1091 0.585,1092 17.153,1093 8.656,1094 13.074,1095 0.403,1096 16.192,1097 1.254,1098 10.048,1099 12.287,1100 1.356,1101 19.618,1102 9.911,1103 3.212,1104 0.199,1105 18.007,1106 0.694,1107 11.005,1108 13.428,1109 0.622,1110 21.855,1111 10.867,1112 2.859,1113 11.012,1114 19.835,1115 0.394,1116 12.185,1117 14.964,1118 1.208,1119 24.263,1120 12.039,1121 2.683,1122 9.356,1123 21.673,1124 4.212,1125 13.235,1126 16.224,1127 0.639,1128 26.577,1129 13.088,1130 2.518,1131 8.134,1132 23.52,1133 3.826,1134 14.384,1135 17.699,1136 1.086,1137 28.968,1138 14.232,1139 2.338,1140 7.63,1141 25.373,1142 3.459,1143 15.481,1144 19.028,1145 0.646,1146 31.321,1147 15.329,1148 1.99,1149 6.941,1150 27.234,1151 3.388,1152 16.622,1153 20.474,1154 0.986,1155 33.708,1156 16.467,1157 1.882,1158 5.769,1159 29.1,1160 2.997,1161 17.745,1162 21.842,1163 0.648,1164 36.08,1165 17.588,1166 13477,1167 21664,1168 22.77,1169 37.96,1170 50.597,1171 52.142,1172 52.302,1173 49.911,1174 49.978,1175 65.483,1176 7.867,1177 142.974,1178 48.227,1179 5.439,1180 5.675,1181 6.564,1182 5.292,1183 5.212,1184 7.212,1185 1.855,1186 18.439,1187 5.193,1188 14.897,1189 1.488,1190 1.534,1191 1.538,1192 1.468,1193 1.47,1194 1.926,1195 0.231,1196 4.205,1197 1.418,1198 4.047,1199 4.06,1200 4.012,1201 3.97,1202 7.427,1203 3.976,1204 3.925,1205 3.953,1206 3.86,1207 3.851,1208 4.975,1209 3.848,1210 3.867,1211 3.889,1212 3.806,1213 3.805,1214 4.773,1215 3.805,1216 3.566,1217 3.616,1218 3.492,1219 3.408,1220 4.739,1221 3.422,1222 3.432,1223 3.471,1224 3.318,1225 3.231,1226 4.603,1227 3.243,1228 3.249,1229 3.314,1230 3.065,1231 2.954,1232 4.493,1233 2.965,1234 3.149,1235 3.219,1236 2.982,1237 2.944,1238 4.189,1239 2.945,1240 2.975,1241 3.056,1242 2.849,1243 2.83,1244 4.009,1245 2.812,1246 0.134,1247 0.108,1248 0.199,1249 0.124,1250 0.094,1251 4.564,1252 0.124,1253 3.675,1254 0.029,1255 6.762,1256 0.324,1257 4.204,1258 0.094,1259 3.212,1260 4.212,1261 0.995,1262 11.012,1263 3.193,1264 1.986,1265 1.974,1266 2.078,1267 2.079,1268 1.242,1269 2.075,1270 1.915,1271 1.887,1272 2.033,1273 2.017,1274 1.153,1275 2.021,1276 1.858,1277 1.841,1278 1.946,1279 1.948,1280 1.079,1281 1.953,1282 1.517,1283 1.473,1284 1.735,1285 1.727,1286 0.87,1287 1.732,1288 1.371,1289 1.323,1290 1.594,1291 1.605,1292 0.645,1293 1.596,1294 1.191,1295 1.116,1296 1.575,1297 1.524,1298 0.574,1299 1.539,1300 1.14,1301 1.067,1302 1.451,1303 1.366,1304 0.56,1305 1.399,1306 1.007,1307 0.93,1308 1.362,1309 1.222,1310 0.5,1311 1.276,1312 4.234,1314 5.549,1316 7.072,1318 8.69,1320 10.358,1322 5.193,1328 1.695,1330 16.358,1333 2.258,1340 36.202,1341 78.904,1342 181.278,1343 234.139,1344 266.192,1345 276.947,1346 280.947,1347 53.375,1348 7.915,1349 51.91,1350 51.91,1351 24,1352 12.65,1353 4.392,1354 3.585,1355 49.782,1356 147,1357 150,1358 0.164,1359 221.176,1360 393.34,1361 531.429,1362 32291,1364 21.794,1365 0.703,1366 0.578,1367 21.794,1368 17.923,1369 15.084,1370 0.444,1371 0.296,1372 9.918,1373 14.482,1374 9.556,1375 8.012,1376 15.084,1377 10.081,1378 13.194,1379 0.281,1380 0.16,1381 13.194,1382 7.537,1383 11.416,1384 0.181,1385 0.084,1386 11.416,1387 5.291,1388 9.628,1389 0.117,1390 0.045,1391 9.628,1392 3.708,1393 7.796,1394 0.074,1395 0.024,1396 7.796,1397 2.5,1398 0.265,1399 94.918,1400 0.21,1401 29.616,1402 0.432,1403 162,1404 482.587,1405 175.152,1406 458.858,1407 627.22,1408 432,1409 191,1410 453.851,1411 205.901,1412 466.934,1413 678.44,1414 433,1415 5.91}
{0 CHEMBL245046,1 1.395,2 14.5,3 5.489,4 30.128,5 127.124,6 7.281,7 0.514,8 4.162,9 4.262,10 3.716,11 3.722,12 5.268,13 3.699,14 4.687,15 4.851,16 4.055,17 4.092,18 5.748,19 4.058,20 4.855,21 4.998,22 4.16,23 4.267,24 5.921,25 4.203,26 5.063,27 5.286,28 4.099,29 4.27,30 6.048,31 4.173,32 5.011,33 5.222,34 4.016,35 4.209,36 6.029,37 4.115,38 4.932,39 5.153,40 3.873,41 4.143,42 5.911,43 4.022,44 4.85,45 5.105,46 3.787,47 4.041,48 5.762,49 3.915,50 4.68,51 4.875,52 3.701,53 3.931,54 5.719,55 3.827,56 0.008,57 0.75,58 12.091,59 5.798,60 8.545,61 7.229,62 0.336,63 1.232,64 23.249,65 9.161,66 30.754,67 11.642,68 0.191,69 1.455,70 26.14,71 11.68,72 25.267,73 14.889,74 0.364,75 1.742,76 35.874,77 13.948,78 48.425,79 18.756,80 0.469,81 1.617,82 34.373,83 13.049,84 56.099,85 17.011,86 0.376,87 1.495,88 31.565,89 12.648,90 51.658,91 16.819,92 0.328,93 1.402,94 29.709,95 11.626,96 42.183,97 16.153,98 0.333,99 1.173,100 23.969,101 9.523,102 42.928,103 12.374,104 30,105 49,106 0.225,107 0.532,108 0.694,109 0.768,110 0.805,111 0.816,112 3.502,113 0.9,114 -5.48,115 -5.35,116 -5,121 45.8,122 1,126 3,127 2,137 1,138 1,144 10,145 5,146 3,160 1,176 17,179 1,180 8,187 20,191 1,192 12,200 16,205 1,206 12,214 9,218 1,219 9,227 10,231 1,232 6,239 13,243 1,244 4,251 13,255 2,256 5,264 11,269 4,277 9,281 1832,282 21.651,283 21.651,284 21.651,285 21.651,286 21.651,287 19.191,288 25.854,289 12.575,290 22.186,291 17.152,292 17.152,293 17.152,294 17.152,295 17.152,296 13.254,297 31.884,298 5.843,299 17.805,300 4.488,301 2.59,302 1.589,303 1.128,304 0.899,305 0.831,306 4.197,311 1,312 1,313 999,314 3.464,318 416.466,322 159.674,325 2.313,326 25.081,329 0.75,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.86,337 68.5,338 464,339 4.511,340 3.729,341 6.553,342 4.125,343 3.149,344 4.166,345 1.674,346 10.396,347 3.074,348 4.246,349 3.234,350 6.271,351 3.853,352 2.881,353 3.833,354 0.995,355 9.454,356 2.796,357 4.032,358 3.048,359 5.835,360 3.683,361 2.708,362 3.62,363 0.86,364 7.963,365 2.649,366 3.909,367 2.768,368 5.588,369 3.529,370 2.546,371 3.366,372 0.86,373 7.674,374 2.498,375 3.664,376 2.699,377 5.382,378 3.33,379 2.378,380 2.991,381 0.359,382 7.057,383 2.25,384 3.48,385 2.573,386 5.048,387 3.162,388 2.179,389 2.743,391 5.943,392 2.138,393 3.32,394 2.382,395 4.937,396 2.935,397 1.952,398 2.52,400 5.672,401 1.904,402 3.139,403 2.218,404 4.735,405 2.763,406 1.814,407 2.331,409 5.139,410 1.71,411 2.949,412 2.018,413 4.552,414 2.634,415 1.673,416 2.007,418 4.688,419 1.597,420 2.648,421 1.676,422 4.145,423 2.188,424 1.281,425 1.588,427 3.43,428 1.149,429 2.5,430 1.167,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.5,439 1.004,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.019,448 1,449 3.402,450 1.611,451 0.667,452 0.851,454 1.494,455 0.619,456 1.497,457 1,458 2.968,459 1.235,460 0.384,461 0.415,463 0.54,464 0.323,465 1.423,466 0.766,467 2.847,468 1.178,469 0.203,470 0.236,472 0.483,473 0.197,474 15.233,475 0.476,476 0.797,477 0.025,478 42.5,479 1.328,480 22.5,481 0.703,482 20,483 0.625,484 25.969,485 0.812,486 33.967,487 0.576,488 34.375,489 1.074,490 8.88,491 0.277,492 6.581,493 0.206,494 0.153,496 0.354,501 0.787,502 1.231,503 0.787,504 1.117,505 0.65,506 0.978,507 1.13,508 0.767,509 0.846,510 0.73,511 0.669,512 0.729,513 0.824,514 1.303,515 1.025,516 1.262,517 0.744,518 1.19,519 0.858,520 1.059,521 0.921,522 1.025,523 0.854,524 0.986,525 1.187,526 0.976,527 1.062,528 0.98,529 1.261,530 0.996,531 0.902,532 1.044,533 1.036,534 1.059,535 1.125,536 1.07,537 0.593,538 0.873,539 0.799,540 0.872,541 0.582,542 0.864,543 1.093,544 1.071,545 1.164,546 1.104,547 1.607,548 1.143,549 7.5,550 0.186,551 3.556,552 2.125,553 2.293,554 1.083,555 0.908,556 0.398,557 0.332,558 0.244,559 15569,560 38392,561 2.063,562 45.8,563 3,564 24,572 1.739,573 1.92,574 3.789,575 -0.836,582 82.312,583 1.395,584 3.293,585 4.294,586 4.755,587 4.984,588 5.052,589 3.254,590 4.539,591 4.968,592 3.963,593 1965.65,594 8.661,595 29829.8,600 347.076,601 1.448,602 4.925,603 0.214,604 0.008,605 0.073,606 0.041,607 0.049,608 0.025,609 0.025,610 0.011,611 0.011,612 0.009,613 0.465,614 0.33,615 0.88,616 0.825,617 171.191,618 0.004,619 -0.144,620 0.067,621 -0.081,622 -0.043,623 -0.012,624 -0.021,625 0.308,626 0.108,627 0.251,628 0.087,629 0.215,630 0.057,631 -0.268,632 -0.124,633 -0.246,634 0.025,635 -0.219,636 0.063,637 -0.063,638 0.059,639 -0.049,640 0.073,641 -0.003,642 -0.045,643 0.011,644 -0.061,645 -0.008,646 -0.042,647 -0.031,648 0.022,649 -0.081,650 -0.06,651 -0.066,652 -0.019,653 -0.076,654 0.126,655 0.101,656 0.18,657 0.113,658 0.176,659 0.15,660 -0.031,661 -0.073,662 -0.192,663 -0.12,664 -0.16,665 -0.176,666 2.047,667 5.631,668 0.688,669 39.031,670 0.998,671 1.114,672 4.246,673 18.029,674 0.673,675 3.584,676 3.912,677 4.174,678 4.431,679 4.7,680 4.762,681 4.92,682 5.043,683 5.136,684 5.142,685 8.211,686 0.639,687 429.55,688 3.584,689 5.13,690 5.979,691 6.858,692 7.724,693 8.605,694 9.479,695 10.363,696 11.243,697 12.129,698 1.7,701 1,715 10,720 8,722 18,739 2,741 59,743 20,744 3,745 35,747 62,748 27,749 18,750 8,751 10,752 3,756 4,757 5,763 1,772 21,773 6,777 2,782 1,784 1,786 2,793 27,794 5,796 5,802 1,808 0.75,809 4,829 4,833 1,846 1,849 1,850 1,855 1,859 3,864 4,868 32,876 2,878 3,881 1,893 6.8,896 1,898 3,901 16.667,902 12.033,903 7.111,904 3.303,907 3.683,908 1.46,909 0.976,910 6.636,911 11.685,912 3.85,913 4.449,914 5.016,915 5.565,916 6.147,917 6.379,918 6.753,919 7.137,920 7.479,921 7.743,922 0.9,923 52,924 11.816,926 4.923,927 0.026,929 7.661,931 22.674,933 18.24,936 2.161,937 69.167,941 317.82,942 189.473,943 3.124,945 58.145,948 189.473,949 375.964,950 3.124,951 38.988,952 4.211,953 104.239,954 32.336,955 70.968,957 317.82,959 317.82,960 192.597,961 58.145,964 317.82,965 58.145,968 16.161,969 166.96,970 9.476,972 317.82,973 61.269,974 189.473,977 317.82,978 46.246,979 146.351,981 58.145,982 317.82,983 61.269,984 189.473,986 0.581,987 0.343,988 0.185,989 0.105,990 23,991 11,992 0.113,993 7,994 1,995 1.091,996 4.348,997 286.151,998 0.091,999 22,1000 152,1005 22.128,1006 9.597,1007 5.062,1009 61.269,1010 20.135,1015 6.908,1018 568.562,1019 46,1024 12.631,1026 1.835,1028 0.137,1031 58.898,1032 65.734,1034 0.237,1035 0.56,1036 0.73,1037 0.808,1038 0.847,1039 0.859,1040 5.091,1041 1.814,1042 5.969,1043 5.672,1044 4.595,1045 5.136,1046 2.452,1047 6.77,1048 4.531,1049 6.302,1050 1.673,1051 7.523,1052 5.139,1053 4.205,1054 4.934,1055 0.325,1056 7.627,1057 4.12,1058 7.61,1059 1.281,1060 9.171,1061 4.688,1062 6.188,1063 7.309,1064 3.014,1065 10.697,1066 6.074,1067 8.95,1068 1,1069 10.87,1070 3.43,1071 6.567,1072 7.866,1073 0.504,1074 12.34,1075 6.427,1076 10.317,1077 1,1078 12.604,1079 2.275,1080 8.033,1081 9.737,1082 3.869,1083 14.932,1084 7.873,1085 11.703,1086 0.667,1087 14.36,1088 2.275,1089 8.777,1090 10.662,1091 0.585,1092 16.931,1093 8.588,1094 13.105,1095 0.384,1096 16.134,1097 1.494,1098 10.03,1099 12.305,1100 4.843,1101 19.349,1102 9.823,1103 3.149,1104 0.203,1105 17.922,1106 0.54,1107 10.959,1108 13.432,1109 0.622,1110 21.516,1111 10.723,1112 2.881,1113 10.396,1114 19.721,1115 0.483,1116 12.122,1117 14.96,1118 5.856,1119 23.868,1120 11.868,1121 2.708,1122 9.454,1123 21.529,1124 4.166,1125 13.144,1126 16.203,1127 0.639,1128 26.115,1129 12.862,1130 2.546,1131 7.963,1132 23.346,1133 3.833,1134 14.274,1135 17.669,1136 6.881,1137 28.444,1138 13.971,1139 2.378,1140 7.674,1141 25.169,1142 3.62,1143 15.344,1144 18.98,1145 0.646,1146 30.73,1147 15.014,1148 2.179,1149 7.057,1150 26.998,1151 3.366,1152 16.463,1153 20.416,1154 7.91,1155 33.053,1156 16.111,1157 1.952,1158 5.943,1159 28.832,1160 2.991,1161 17.559,1162 21.767,1163 0.648,1164 35.359,1165 17.182,1166 14857,1167 23577,1168 23.175,1169 39.722,1170 52.243,1171 53.755,1172 54.184,1173 51.576,1174 51.632,1175 67.333,1176 9.496,1177 148.965,1178 49.808,1179 5.403,1180 5.729,1181 6.095,1182 5.216,1183 5.149,1184 7.166,1185 3.349,1186 17.269,1187 5.074,1188 17.344,1189 1.493,1190 1.536,1191 1.548,1192 1.474,1193 1.475,1194 1.924,1195 0.271,1196 4.256,1197 1.423,1198 4.05,1199 4.065,1200 4.011,1201 3.977,1202 7.433,1203 3.981,1204 3.94,1205 3.967,1206 3.875,1207 3.876,1208 4.967,1209 3.871,1210 3.87,1211 3.891,1212 3.813,1213 3.803,1214 4.761,1215 3.804,1216 3.577,1217 3.629,1218 3.504,1219 3.413,1220 4.717,1221 3.427,1222 3.449,1223 3.48,1224 3.343,1225 3.263,1226 4.527,1227 3.272,1228 3.249,1229 3.314,1230 3.063,1231 3.015,1232 4.494,1233 3.003,1234 3.18,1235 3.258,1236 3.01,1237 2.953,1238 4.2,1239 2.964,1240 3.138,1241 3.209,1242 2.963,1243 2.91,1244 3.951,1245 2.909,1246 0.129,1247 0.107,1248 0.187,1249 0.118,1250 0.09,1251 4.511,1252 0.119,1253 3.729,1254 0.048,1255 6.553,1256 0.297,1257 4.125,1258 0.088,1259 3.149,1260 4.166,1261 1.674,1262 10.396,1263 3.074,1264 1.993,1265 1.979,1266 2.086,1267 2.081,1268 1.252,1269 2.08,1270 1.935,1271 1.908,1272 2.05,1273 2.028,1274 1.184,1275 2.035,1276 1.857,1277 1.84,1278 1.95,1279 1.952,1280 1.094,1281 1.956,1282 1.528,1283 1.479,1284 1.753,1285 1.74,1286 0.907,1287 1.747,1288 1.387,1289 1.348,1290 1.602,1291 1.612,1292 0.697,1293 1.601,1294 1.198,1295 1.121,1296 1.575,1297 1.524,1298 0.606,1299 1.539,1300 1.191,1301 1.116,1302 1.541,1303 1.415,1304 0.574,1305 1.463,1306 1.123,1307 1.044,1308 1.435,1309 1.364,1310 0.543,1311 1.388,1312 4.263,1314 5.587,1316 7.109,1318 8.721,1320 10.381,1322 7.333,1328 1.694,1330 16.227,1333 2.268,1340 37.729,1341 82.312,1342 194.293,1343 253.327,1344 280.547,1345 294.056,1346 298.056,1347 53.224,1348 8.001,1349 51.91,1350 51.91,1351 24,1352 12.662,1353 4.392,1354 3.585,1355 52.261,1356 158,1357 170,1358 0.16,1359 230.768,1360 410.64,1361 554.834,1362 36224,1364 22.665,1365 0.708,1366 0.589,1367 22.665,1368 18.845,1369 15.461,1370 0.442,1371 0.3,1372 10.337,1373 14.864,1374 9.902,1375 8.329,1376 15.461,1377 10.499,1378 13.924,1379 0.284,1380 0.164,1381 13.924,1382 8.047,1383 11.677,1384 0.182,1385 0.086,1386 11.677,1387 5.529,1388 9.667,1389 0.116,1390 0.046,1391 9.667,1392 3.81,1393 8.164,1394 0.075,1395 0.025,1396 8.164,1397 2.696,1398 0.259,1399 97.088,1400 0.208,1401 30.47,1402 0.418,1403 168,1404 490.587,1405 182.037,1406 467.993,1407 640.75,1408 440,1409 197,1410 466.761,1411 211.901,1412 480.779,1413 698.26,1414 445,1415 6.509}
{0 CHEMBL245047,1 1.434,2 14.606,3 4.986,4 24.863,5 128.546,6 7.426,7 0.5,8 4.187,9 4.282,10 3.756,11 3.72,12 5.316,13 3.709,14 4.711,15 4.868,16 4.084,17 4.08,18 5.795,19 4.062,20 4.859,21 4.993,22 4.198,23 4.258,24 5.945,25 4.21,26 5.06,27 5.268,28 4.158,29 4.284,30 6.075,31 4.204,32 5.058,33 5.26,34 4.072,35 4.253,36 6.09,37 4.163,38 5.002,39 5.229,40 3.933,41 4.184,42 5.971,43 4.065,44 4.901,45 5.146,46 3.831,47 4.065,48 5.835,49 3.95,50 4.735,51 4.937,52 3.764,53 3.955,54 5.771,55 3.859,56 0.019,57 0.767,58 12.082,59 5.881,60 8.241,61 7.124,62 0.426,63 1.238,64 23.823,65 9.125,66 34.572,67 11.211,68 0.253,69 1.449,70 25.824,71 11.522,72 25.115,73 14.281,74 0.414,75 1.728,76 35.156,77 13.712,78 46.681,79 18.111,80 0.61,81 1.679,82 35.752,83 13.537,84 60.045,85 17.424,86 0.449,87 1.593,88 34.118,89 13.385,90 54.624,91 17.891,92 0.462,93 1.443,94 31.592,95 11.892,96 48.846,97 16.177,98 0.382,99 1.225,100 25.511,101 9.985,102 45.304,103 12.987,104 35,105 50,106 0.231,107 0.525,108 0.692,109 0.788,110 0.814,111 0.852,112 3.531,113 0.884,114 -4.97,115 -4.87,116 -4.57,121 45,126 4,127 2,137 1,138 1,144 10,145 4,146 4,160 1,176 14,179 1,180 10,187 16,191 1,192 14,200 13,205 1,206 12,214 8,218 2,219 9,227 10,231 1,232 5,239 12,243 1,244 5,251 11,255 2,256 7,264 8,269 6,277 6,281 1964,282 22.522,283 22.522,284 22.522,285 22.522,286 22.522,287 20.114,288 27.742,289 13.111,290 23.235,291 17.596,292 17.596,293 17.596,294 17.596,295 17.596,296 13.682,297 36.372,298 6.003,299 18.438,300 4.473,301 2.646,302 1.613,303 1.013,304 0.855,305 0.617,306 4.227,311 1,312 1,313 1034,314 3.606,318 431.303,322 165.778,325 2.345,326 27.393,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 71.5,338 482,339 4.511,340 3.729,341 6.553,342 4.125,343 3.149,344 4.166,345 1.674,346 10.396,347 3.074,348 4.246,349 3.234,350 6.271,351 3.854,352 2.881,353 3.833,354 0.995,355 9.454,356 2.796,357 4.082,358 3.073,359 5.835,360 3.713,361 2.745,362 3.674,363 0.86,364 7.978,365 2.66,366 3.913,367 2.869,368 5.662,369 3.541,370 2.571,371 3.366,372 0.86,373 7.898,374 2.497,375 3.664,376 2.7,377 5.457,378 3.33,379 2.386,380 2.991,381 0.86,382 7.278,383 2.243,384 3.449,385 2.642,386 5.105,387 3.134,388 2.178,389 2.667,390 0.359,391 6.179,392 2.065,393 3.311,394 2.428,395 4.986,396 2.922,397 1.947,398 2.514,400 5.686,401 1.883,402 3.136,403 2.219,404 4.735,405 2.75,406 1.808,407 2.329,409 5.129,410 1.694,411 2.953,412 2.035,413 4.543,414 2.629,415 1.673,416 2.024,418 4.659,419 1.589,420 2.672,421 1.678,422 4.144,423 2.204,424 1.284,425 1.728,427 3.431,428 1.192,429 2.633,430 1.323,431 3.494,432 2.177,433 1.202,434 1.584,436 2.622,437 1.145,438 2.5,439 1.163,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.018,448 1.003,449 3.4,450 1.61,451 0.666,452 0.851,454 1.491,455 0.618,456 1.584,457 1,458 2.963,459 1.295,460 0.431,461 0.482,463 0.627,464 0.369,465 1.496,466 0.936,467 2.848,468 1.233,469 0.384,470 0.415,472 0.531,473 0.323,474 15.567,475 0.472,476 0.759,477 0.023,478 44,479 1.333,480 23,481 0.697,482 21,483 0.636,484 26.475,485 0.802,486 35.433,487 0.591,488 36.475,489 1.105,490 9.324,491 0.283,492 6.675,493 0.202,494 0.15,496 0.347,501 0.813,502 1.278,503 0.767,504 1.159,505 0.656,506 0.988,507 1.23,508 0.745,509 0.868,510 0.701,511 0.741,512 0.702,513 0.886,514 1.272,515 0.999,516 1.226,517 0.769,518 1.151,519 0.844,520 1.089,521 0.927,522 1.055,523 0.861,524 1.01,525 1.101,526 1.004,527 1.103,528 1.017,529 1.244,530 1.053,531 0.798,532 1.031,533 0.99,534 1.048,535 1.027,536 1.055,537 0.772,538 0.873,539 0.886,540 0.875,541 0.686,542 0.895,543 0.965,544 1.035,545 1.07,546 1.064,547 1.46,548 1.086,549 7.5,550 0.198,551 3.333,552 2.375,553 2.253,554 1.201,555 0.867,556 0.436,557 0.332,558 0.214,559 16846,560 44963,561 2.061,562 45,564 27,572 1.747,573 1.922,574 3.809,575 -0.811,582 86.04,583 1.434,584 3.261,585 4.294,586 4.894,587 5.052,588 5.29,589 3.253,590 4.718,591 5.014,592 3.99,593 2106.57,594 8.753,595 32857.1,597 1,600 354.413,601 1.434,602 4.971,603 0.208,604 0.008,605 0.067,606 0.044,607 0.045,608 0.027,609 0.022,610 0.012,611 0.01,612 0.007,613 0.45,614 0.17,615 1,616 0.88,617 178.403,618 -0.009,619 -0.178,620 0.07,621 -0.112,622 -0.039,623 -0.025,624 -0.084,625 0.33,626 0.088,627 0.279,628 0.053,629 0.233,630 0.012,631 -0.227,632 -0.108,633 -0.201,634 0.015,635 -0.183,636 0.034,637 -0.082,638 0.035,639 -0.07,640 0.057,641 -0.025,642 -0.045,643 -0.013,644 -0.117,645 -0.039,646 -0.077,647 -0.083,648 0.028,649 -0.065,650 -0.018,651 -0.055,652 0.003,653 -0.047,654 0.043,655 0.098,656 0.103,657 0.106,658 0.103,659 0.115,660 -0.014,661 -0.042,662 -0.101,663 -0.076,664 -0.109,665 -0.104,666 2.058,667 5.649,668 0.667,669 40.228,670 1.004,671 1.116,672 3.742,673 14.003,674 0.67,675 3.611,676 3.932,677 4.205,678 4.466,679 4.718,680 4.796,681 4.942,682 5.069,683 5.153,684 5.159,685 8.399,686 0.641,687 445.55,688 3.611,689 5.153,690 6.004,691 6.882,692 7.749,693 8.632,694 9.505,695 10.391,696 11.268,697 12.156,698 1.7,701 1,715 10,720 8,722 18,739 3,741 60,743 20,744 3,745 36,747 63,748 27,749 18,750 8,751 10,752 3,756 4,757 5,772 21,773 6,777 2,782 1,784 1,786 2,793 27,794 6,796 6,802 1,808 0.75,809 5,829 4,833 1,846 1,849 1,850 1,855 1,859 3,864 4,868 33,876 2,878 4,881 1,893 8.3,896 1,898 4,901 17.167,902 12.2,903 7.444,904 3.261,907 3.731,908 1.462,909 0.967,910 7.138,911 11.812,912 3.871,913 4.46,914 5.035,915 5.591,916 6.157,917 6.405,918 6.774,919 7.151,920 7.485,921 7.75,922 0.9,923 54,924 12.168,926 5.048,927 0.026,929 7.702,931 23.209,933 18.485,936 2.202,937 72.667,940 1,941 317.82,942 193.589,943 3.124,945 69.144,948 193.589,949 386.964,950 3.124,951 41.046,952 4.211,953 104.239,954 32.336,955 84.025,957 317.82,959 317.82,960 196.713,961 69.144,964 317.82,965 69.144,968 7.336,969 179.901,970 9.476,972 317.82,973 72.269,974 193.589,977 317.82,978 48.304,979 148.409,981 69.144,982 317.82,983 72.269,984 193.589,986 0.575,987 0.346,988 0.189,989 0.104,990 23,991 11,992 0.127,993 8,994 1,995 1.091,996 4.419,997 297.883,998 0.091,999 22,1000 162.465,1005 23.055,1006 10.216,1007 5.279,1009 72.269,1010 19.528,1015 6.328,1018 583.677,1019 47,1024 12.649,1026 1.826,1028 0.114,1031 60.225,1032 66.943,1034 0.243,1035 0.552,1036 0.727,1037 0.828,1038 0.855,1039 0.896,1040 5.109,1041 1.808,1042 5.989,1043 5.686,1044 4.615,1045 5.147,1046 2.572,1047 6.792,1048 4.536,1049 6.315,1050 1.673,1051 7.544,1052 5.129,1053 4.205,1054 4.934,1055 0.325,1056 7.653,1057 4.1,1058 7.622,1059 1.284,1060 9.192,1061 4.659,1062 6.209,1063 7.318,1064 3.066,1065 10.726,1066 6.071,1067 8.961,1068 1.202,1069 10.893,1070 3.431,1071 6.581,1072 7.874,1073 0.504,1074 12.37,1075 6.414,1076 10.328,1077 1,1078 12.627,1079 2.622,1080 8.055,1081 9.748,1082 3.886,1083 14.961,1084 7.868,1085 11.715,1086 0.666,1087 14.385,1088 2.275,1089 8.798,1090 10.677,1091 0.585,1092 16.958,1093 8.581,1094 13.118,1095 0.431,1096 16.16,1097 1.491,1098 10.054,1099 12.32,1100 4.848,1101 19.372,1102 9.82,1103 3.149,1104 0.384,1105 17.948,1106 0.627,1107 10.983,1108 13.451,1109 0.622,1110 21.536,1111 10.72,1112 2.881,1113 10.396,1114 19.746,1115 0.531,1116 12.147,1117 14.978,1118 5.857,1119 23.885,1120 11.867,1121 2.745,1122 9.454,1123 21.554,1124 4.166,1125 13.169,1126 16.224,1127 0.639,1128 26.13,1129 12.862,1130 2.571,1131 7.978,1132 23.37,1133 3.833,1134 14.298,1135 17.689,1136 6.882,1137 28.456,1138 13.972,1139 2.386,1140 7.898,1141 25.192,1142 3.674,1143 15.368,1144 19.001,1145 0.646,1146 30.74,1147 15.016,1148 2.178,1149 7.278,1150 27.019,1151 3.366,1152 16.485,1153 20.436,1154 7.91,1155 33.061,1156 16.114,1157 1.947,1158 6.179,1159 28.852,1160 2.991,1161 17.58,1162 21.787,1163 0.648,1164 35.366,1165 17.185,1166 16124,1167 26534,1168 23.868,1169 40.176,1170 53.253,1171 55.134,1172 55.491,1173 52.696,1174 52.827,1175 68.507,1176 11.216,1177 151.802,1178 50.509,1179 5.404,1180 5.729,1181 6.146,1182 5.216,1183 5.149,1184 7.166,1185 3.349,1186 17.269,1187 5.074,1188 17.697,1189 1.479,1190 1.531,1191 1.541,1192 1.464,1193 1.467,1194 1.903,1195 0.312,1196 4.217,1197 1.403,1198 4.049,1199 4.063,1200 4.011,1201 3.976,1202 7.433,1203 3.98,1204 3.932,1205 3.956,1206 3.873,1207 3.852,1208 4.968,1209 3.853,1210 3.867,1211 3.887,1212 3.812,1213 3.801,1214 4.864,1215 3.801,1216 3.571,1217 3.619,1218 3.503,1219 3.406,1220 4.736,1221 3.422,1222 3.442,1223 3.475,1224 3.336,1225 3.235,1226 4.528,1227 3.249,1228 3.249,1229 3.314,1230 3.067,1231 2.975,1232 4.494,1233 2.984,1234 3.243,1235 3.311,1236 3.057,1237 2.953,1238 4.395,1239 2.965,1240 3.15,1241 3.215,1242 2.988,1243 2.924,1244 4.167,1245 2.925,1246 0.125,1247 0.104,1248 0.182,1249 0.115,1250 0.087,1251 4.511,1252 0.116,1253 3.729,1254 0.047,1255 6.553,1256 0.289,1257 4.125,1258 0.085,1259 3.149,1260 4.166,1261 1.674,1262 10.396,1263 3.074,1264 1.992,1265 1.979,1266 2.079,1267 2.081,1268 1.246,1269 2.078,1270 1.911,1271 1.887,1272 2.02,1273 2.02,1274 1.164,1275 2.019,1276 1.854,1277 1.837,1278 1.947,1279 1.948,1280 1.083,1281 1.95,1282 1.514,1283 1.472,1284 1.731,1285 1.733,1286 0.866,1287 1.734,1288 1.373,1289 1.328,1290 1.599,1291 1.61,1292 0.65,1293 1.598,1294 1.196,1295 1.123,1296 1.575,1297 1.524,1298 0.58,1299 1.539,1300 1.191,1301 1.116,1302 1.57,1303 1.505,1304 0.574,1305 1.527,1306 1.13,1307 1.055,1308 1.435,1309 1.367,1310 0.55,1311 1.39,1312 4.29,1314 5.609,1316 7.13,1318 8.743,1320 10.404,1322 6.875,1328 1.583,1330 21.533,1333 2.23,1340 38.444,1341 86.04,1342 195.631,1343 257.645,1344 293.619,1345 303.129,1346 317.394,1347 56.027,1348 8.081,1349 61.14,1350 61.14,1351 24,1352 12.688,1353 4.392,1354 3.585,1355 54.763,1356 168,1357 167,1358 0.158,1359 234.764,1360 419.43,1361 564.585,1362 40401,1364 23.372,1365 0.708,1366 0.583,1367 23.372,1368 19.254,1369 15.999,1370 0.444,1371 0.295,1372 10.408,1373 15.245,1374 10,1375 8.399,1376 15.999,1377 10.611,1378 14.105,1379 0.282,1380 0.158,1381 14.105,1382 7.913,1383 12.011,1384 0.182,1385 0.084,1386 12.011,1387 5.542,1388 10.09,1389 0.117,1390 0.045,1391 10.09,1392 3.887,1393 8.286,1394 0.075,1395 0.024,1396 8.286,1397 2.647,1398 0.257,1399 101.431,1400 0.205,1401 31.237,1402 0.413,1403 172,1404 538.323,1405 188.916,1406 505.502,1407 688.57,1408 476,1409 202,1410 497.306,1411 219.558,1412 509.733,1413 739.84,1414 471,1415 6.146}
{0 CHEMBL245054,1 1.409,2 12.968,3 4.491,4 20.169,5 121.822,6 7.42,7 0.529,8 4.116,9 4.213,10 3.687,11 3.678,12 5.24,13 3.66,14 4.633,15 4.79,16 4.01,17 4.045,18 5.677,19 4.017,20 4.811,21 4.954,22 4.141,23 4.211,24 5.903,25 4.157,26 4.996,27 5.206,28 4.115,29 4.216,30 6.056,31 4.14,32 4.957,33 5.148,34 4.042,35 4.195,36 6.027,37 4.112,38 4.952,39 5.178,40 3.94,41 4.164,42 5.938,43 4.052,44 4.879,45 5.106,46 3.803,47 4.075,48 5.861,49 3.957,50 4.7,51 4.909,52 3.739,53 3.96,54 5.687,55 3.856,56 0.001,57 0.709,58 11.145,59 5.438,60 8.272,61 6.673,62 0.238,63 1.166,64 21.495,65 8.548,66 21.048,67 10.549,68 0.187,69 1.376,70 24.683,71 10.982,72 24.822,73 13.786,74 0.455,75 1.623,76 33.257,77 12.829,78 54.94,79 16.912,80 0.519,81 1.544,82 31.62,83 12.302,84 57.396,85 15.695,86 0.351,87 1.543,88 32.112,89 12.828,90 49.663,91 17.135,92 0.463,93 1.417,94 30.497,95 11.747,96 56.179,97 15.467,98 0.165,99 1.202,100 24.173,101 10.072,102 35.009,103 13.255,104 21,105 47,106 0.23,107 0.528,108 0.688,109 0.791,110 0.828,111 0.853,112 3.472,113 0.889,114 -4.46,115 -4.39,116 -4.14,121 46.4,126 3,127 2,138 1,139 1,144 11,145 4,146 3,159 1,176 14,180 9,187 16,191 1,192 11,200 11,205 2,206 10,214 6,218 2,219 8,227 9,231 1,232 4,239 13,243 2,244 4,251 14,256 5,264 11,269 6,277 7,281 1669,282 21.256,283 21.256,284 21.256,285 21.256,286 21.256,287 18.807,288 24.69,289 12.536,290 21.787,291 16.675,292 16.675,293 16.675,294 16.675,295 16.675,296 12.83,297 32.449,298 5.803,299 17.314,300 4.398,301 2.57,302 1.591,303 0.96,304 0.732,305 0.576,306 4.169,311 1,312 1,313 866,314 3.391,318 377.04,322 140.684,325 2.035,326 25.868,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 66.5,338 402,339 4.566,340 3.676,341 6.764,342 4.207,343 3.214,344 4.214,345 0.995,346 11.024,347 3.196,348 4.244,349 3.193,350 6.25,351 3.845,352 2.874,353 3.85,354 0.86,355 9.398,356 2.791,357 3.962,358 3.047,359 5.919,360 3.643,361 2.677,362 3.458,363 0.86,364 8.227,365 2.588,366 3.896,367 2.754,368 5.569,369 3.507,370 2.526,371 3.382,372 0.86,373 7.586,374 2.476,375 3.618,376 2.718,377 5.354,378 3.268,379 2.3,380 2.937,381 0.359,382 6.932,383 2.216,384 3.285,385 2.464,386 5.045,387 2.944,388 1.989,389 2.48,391 5.733,392 1.885,393 3.171,394 2.195,395 4.694,396 2.818,397 1.866,398 2.306,400 5.078,401 1.765,402 2.945,403 2.101,404 4.487,405 2.501,406 1.527,407 2.094,409 4.251,410 1.482,411 2.775,412 1.705,413 4.13,414 2.371,415 1.404,416 1.841,418 3.422,419 1.357,420 2.704,421 1.491,422 3.573,423 2.27,424 1.337,425 1.715,427 2.986,428 1.233,429 2.598,430 1.315,431 3.486,432 2.109,433 1.127,434 1.594,436 2.552,437 1.098,438 2.5,439 1.14,440 3.251,441 2,442 1,443 1.5,445 2.136,446 1,447 1.963,448 1.01,449 3.247,450 1.55,451 0.623,452 0.775,454 1.252,455 0.566,456 1.527,457 1,458 2.981,459 1.246,460 0.39,461 0.426,463 0.576,464 0.33,465 1.366,466 0.712,467 2.854,468 0.999,469 0.03,470 0.039,472 0.066,473 0.028,474 14.733,475 0.475,476 0.674,477 0.022,478 42,479 1.355,480 22.5,481 0.726,482 19.5,483 0.629,484 24.149,485 0.779,486 32.667,487 0.583,488 34.062,489 1.099,490 8.854,491 0.286,492 6.23,493 0.201,494 0.124,496 0.333,501 0.788,502 1.223,503 0.767,504 1.103,505 0.625,506 0.96,507 1.279,508 0.79,509 0.897,510 0.749,511 0.81,512 0.745,513 0.866,514 1.266,515 0.975,516 1.219,517 0.846,518 1.134,519 0.88,520 1.023,521 0.889,522 0.982,523 1.012,524 0.94,525 1.112,526 1.058,527 1.1,528 1.05,529 1.243,530 1.068,531 0.795,532 1.008,533 0.946,534 1.019,535 0.849,536 1.009,537 1.04,538 0.862,539 1.051,540 0.898,541 1.48,542 0.968,543 0.848,544 1.105,545 0.987,546 1.108,547 1.126,548 1.079,549 6,550 0.161,551 3.111,552 2.313,553 2.062,554 1.118,555 0.727,556 0.408,557 0.291,558 0.244,559 13424,560 34141,561 2.084,562 44.6,564 24,565 1,572 1.735,573 1.958,574 3.654,575 -0.831,577 1,582 78.904,583 1.409,584 3.237,585 4.217,586 4.847,587 5.075,588 5.231,589 3.123,590 4.43,591 4.923,592 3.807,593 1770.3,594 8.593,595 25418.7,597 1,600 325.212,601 1.383,602 4.888,603 0.176,604 0.006,605 0.066,606 0.045,607 0.043,608 0.025,609 0.018,610 0.012,611 0.009,612 0.008,613 0.41,614 0.33,615 1,616 0.796,617 162.126,618 -0.001,619 -0.149,620 0.068,621 -0.085,622 -0.027,623 -0.013,624 -0.17,625 0.283,626 0.044,627 0.223,628 -0.059,629 0.185,630 0.06,631 -0.246,632 -0.073,633 -0.216,634 0.046,635 -0.176,636 0.133,637 -0.024,638 0.099,639 -0.01,640 0.135,641 0.033,642 0.03,643 -0.064,644 -0.116,645 -0.076,646 -0.024,647 -0.112,648 0.061,649 -0.037,650 0.032,651 -0.031,652 0.094,653 -0.008,654 -0.043,655 0.107,656 -0.052,657 0.083,658 -0.143,659 0.021,660 -0.026,661 -0.135,662 -0.033,663 -0.11,664 -0.061,665 -0.08,666 1.767,667 6.205,668 0.71,669 34.447,670 1,671 1.113,672 3.233,673 10.451,674 0.678,675 3.555,676 3.871,677 4.159,678 4.431,679 4.673,680 4.754,681 4.883,682 5.017,683 5.118,684 5.165,685 7.428,686 0.646,687 415.52,688 3.555,689 5.094,690 5.948,691 6.828,692 7.698,693 8.585,694 9.464,695 10.355,696 11.238,697 12.133,698 1.8,701 1,715 11,720 7,722 18,727 1,739 3,741 56,743 20,744 3,745 34,747 59,748 26,749 18,750 7,751 11,752 3,756 4,757 5,772 21,773 5,777 2,782 1,784 1,786 2,790 1,793 25,794 5,796 5,802 1,808 0.75,809 4,829 4,833 1,850 1,855 1,859 3,864 3,868 31,876 2,878 3,881 1,893 7.1,896 1,898 3,901 15.833,902 11.117,903 6.972,904 3.101,907 3.687,908 1.466,909 0.98,910 6.402,911 11.602,912 3.829,913 4.413,914 4.999,915 5.552,916 6.087,917 6.298,918 6.65,919 6.997,920 7.339,921 7.669,922 0.889,923 51,924 11.454,926 4.795,927 0.026,929 7.677,931 21.9,933 17.613,936 2.177,937 67.5,940 1,941 294.278,942 186.938,943 3.124,945 58.145,948 186.938,949 352.422,950 3.124,951 30.162,952 15.746,953 104.239,954 30.278,955 67.782,956 11.771,957 282.506,959 294.278,960 190.063,961 58.145,964 294.278,965 58.145,968 7.336,969 182.727,972 294.278,973 61.269,974 186.938,977 294.278,978 41.003,979 149.06,981 58.145,982 294.278,983 61.269,984 186.938,986 0.573,987 0.346,988 0.194,989 0.105,990 22,991 10,992 0.119,993 7,994 1,995 1.091,996 4.218,997 279.14,998 0.091,999 22,1000 149.58,1005 21.165,1006 9.377,1007 4.657,1009 61.269,1010 21.72,1015 5.163,1018 542.485,1019 45,1024 13.205,1026 1.517,1028 0.421,1031 56.014,1032 62.318,1034 0.243,1035 0.557,1036 0.726,1037 0.835,1038 0.874,1039 0.901,1040 5.059,1041 1.527,1042 5.927,1043 5.078,1044 4.554,1045 5.1,1046 2.013,1047 6.739,1048 4.492,1049 6.261,1050 1.404,1051 7.485,1052 4.251,1053 4.111,1054 4.832,1055 0.325,1056 7.633,1057 4.043,1058 7.564,1059 1.337,1060 9.142,1061 3.422,1062 6.146,1063 7.265,1064 1.747,1065 10.744,1066 6.046,1067 8.903,1068 1.127,1069 10.859,1070 2.986,1071 6.524,1072 7.803,1073 0.504,1074 12.461,1075 6.422,1076 10.272,1077 1,1078 12.614,1079 2.552,1080 8.016,1081 9.702,1082 1.534,1083 15.094,1084 7.893,1085 11.665,1086 0.623,1087 14.395,1088 2.136,1089 8.783,1090 10.636,1091 0.585,1092 17.167,1093 8.661,1094 13.076,1095 0.39,1096 16.196,1097 1.252,1098 10.054,1099 12.293,1100 1.356,1101 19.634,1102 9.918,1103 3.214,1104 0.03,1105 18.013,1106 0.576,1107 11.013,1108 13.438,1109 0.622,1110 21.871,1111 10.877,1112 2.874,1113 11.024,1114 19.841,1115 0.066,1116 12.195,1117 14.975,1118 1.208,1119 24.281,1120 12.05,1121 2.677,1122 9.398,1123 21.68,1124 4.214,1125 13.247,1126 16.238,1127 0.639,1128 26.596,1129 13.102,1130 2.526,1131 8.227,1132 23.527,1133 3.85,1134 14.397,1135 17.714,1136 1.086,1137 28.988,1138 14.248,1139 2.3,1140 7.586,1141 25.382,1142 3.458,1143 15.497,1144 19.046,1145 0.646,1146 31.34,1147 15.346,1148 1.989,1149 6.932,1150 27.243,1151 3.382,1152 16.638,1153 20.492,1154 0.986,1155 33.728,1156 16.485,1157 1.866,1158 5.733,1159 29.109,1160 2.937,1161 17.762,1162 21.862,1163 0.648,1164 36.1,1165 17.608,1166 12807,1167 20614,1168 22.77,1169 37.96,1170 50.533,1171 52.111,1172 52.267,1173 49.724,1174 49.769,1175 65.218,1176 7.867,1177 142.435,1178 48.023,1179 5.445,1180 5.676,1181 6.566,1182 5.295,1183 5.214,1184 7.214,1185 1.855,1186 18.464,1187 5.196,1188 14.759,1189 1.486,1190 1.533,1191 1.537,1192 1.462,1193 1.464,1194 1.918,1195 0.231,1196 4.189,1197 1.412,1198 4.048,1199 4.061,1200 4.013,1201 3.971,1202 7.427,1203 3.977,1204 3.924,1205 3.952,1206 3.859,1207 3.851,1208 4.975,1209 3.848,1210 3.867,1211 3.889,1212 3.806,1213 3.805,1214 4.773,1215 3.805,1216 3.556,1217 3.609,1218 3.481,1219 3.392,1220 4.739,1221 3.407,1222 3.444,1223 3.48,1224 3.329,1225 3.251,1226 4.604,1227 3.26,1228 3.249,1229 3.314,1230 3.065,1231 2.954,1232 4.493,1233 2.965,1234 3.147,1235 3.217,1236 2.978,1237 2.938,1238 4.191,1239 2.939,1240 2.996,1241 3.066,1242 2.85,1243 2.876,1244 4.015,1245 2.859,1246 0.134,1247 0.108,1248 0.199,1249 0.124,1250 0.095,1251 4.566,1252 0.124,1253 3.676,1254 0.029,1255 6.764,1256 0.324,1257 4.207,1258 0.094,1259 3.214,1260 4.214,1261 0.995,1262 11.024,1263 3.196,1264 1.987,1265 1.975,1266 2.078,1267 2.08,1268 1.245,1269 2.076,1270 1.914,1271 1.886,1272 2.032,1273 2.016,1274 1.153,1275 2.02,1276 1.857,1277 1.841,1278 1.945,1279 1.947,1280 1.078,1281 1.953,1282 1.505,1283 1.458,1284 1.734,1285 1.722,1286 0.864,1287 1.729,1288 1.385,1289 1.34,1290 1.596,1291 1.611,1292 0.636,1293 1.601,1294 1.191,1295 1.116,1296 1.575,1297 1.524,1298 0.574,1299 1.539,1300 1.138,1301 1.064,1302 1.446,1303 1.365,1304 0.556,1305 1.397,1306 1.025,1307 0.962,1308 1.367,1309 1.223,1310 0.501,1311 1.279,1312 4.234,1314 5.549,1316 7.072,1318 8.692,1320 10.362,1322 5.185,1328 1.622,1330 16.422,1333 2.245,1340 36.202,1341 78.904,1342 181.278,1343 236.139,1344 271.437,1345 284.192,1346 292.947,1347 53.613,1348 7.915,1349 51.91,1350 51.91,1351 24,1352 12.661,1353 4.392,1354 3.585,1355 49.56,1356 137,1357 145,1358 0.175,1359 221.176,1360 393.34,1361 531.429,1362 32291,1364 21.794,1365 0.703,1366 0.578,1367 21.794,1368 17.923,1369 15.084,1370 0.444,1371 0.296,1372 9.918,1373 14.482,1374 9.555,1375 8.014,1376 15.084,1377 10.081,1378 13.206,1379 0.281,1380 0.16,1381 13.206,1382 7.54,1383 11.348,1384 0.18,1385 0.084,1386 11.348,1387 5.265,1388 9.711,1389 0.117,1390 0.045,1391 9.711,1392 3.755,1393 7.802,1394 0.074,1395 0.024,1396 7.802,1397 2.511,1398 0.278,1399 94.918,1400 0.21,1401 29.323,1402 0.47,1403 162,1404 482.587,1405 175.152,1406 458.923,1407 627.24,1408 432,1409 191,1410 453.851,1411 205.901,1412 467.069,1413 678.68,1414 433,1415 5.695}
{0 CHEMBL245055,1 1.409,2 13,3 4.761,4 22.665,5 123.128,6 7.42,7 0.529,8 4.116,9 4.213,10 3.687,11 3.678,12 5.237,13 3.66,14 4.633,15 4.789,16 4.015,17 4.039,18 5.691,19 4.013,20 4.816,21 4.959,22 4.127,23 4.195,24 5.9,25 4.143,26 4.983,27 5.194,28 4.092,29 4.2,30 6.008,31 4.123,32 4.937,33 5.129,34 4.037,35 4.193,36 5.993,37 4.107,38 4.963,39 5.188,40 3.938,41 4.171,42 5.961,43 4.059,44 4.864,45 5.09,46 3.826,47 4.078,48 5.843,49 3.965,50 4.734,51 4.942,52 3.716,53 3.948,54 5.741,55 3.847,56 0.001,57 0.709,58 11.145,59 5.438,60 7.661,61 6.673,62 0.219,63 1.166,64 21.444,65 8.546,66 22.274,67 10.557,68 0.225,69 1.371,70 25.096,71 10.916,72 28.89,73 13.578,74 0.474,75 1.6,76 32.957,77 12.632,78 49.588,79 16.643,80 0.462,81 1.527,82 30.68,83 12.198,84 51.263,85 15.752,86 0.461,87 1.55,88 32.776,89 12.894,90 54.528,91 17.113,92 0.263,93 1.408,94 29.428,95 11.776,96 46.713,97 15.613,98 0.37,99 1.219,100 25.923,101 10.024,102 49.74,103 12.847,104 21,105 47,106 0.23,107 0.528,108 0.688,109 0.791,110 0.828,111 0.853,112 3.472,113 0.89,114 -4.73,115 -4.65,116 -4.37,121 46.4,126 3,127 2,137 1,140 1,144 11,145 4,146 3,159 1,176 13,180 10,187 15,191 1,192 11,200 10,205 2,206 9,214 6,218 2,219 6,227 10,231 2,232 5,239 14,244 4,251 14,255 1,256 7,264 10,269 6,277 6,281 1670,282 21.204,283 21.204,284 21.204,285 21.204,286 21.204,287 18.769,288 25.768,289 12.53,290 21.723,291 16.702,292 16.702,293 16.702,294 16.702,295 16.702,296 12.85,297 34.775,298 5.835,299 17.35,300 4.398,301 2.57,302 1.591,303 0.96,304 0.732,305 0.576,306 4.169,311 1,312 1,313 868,314 3.391,318 378.047,322 140.684,325 2,326 25.665,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 66.5,338 403,339 4.522,340 3.615,341 6.586,342 4.138,343 3.164,344 4.185,345 0.995,346 10.512,347 3.087,348 4.226,349 3.169,350 6.162,351 3.83,352 2.856,353 3.826,354 0.86,355 9.164,356 2.788,357 3.958,358 3.084,359 5.976,360 3.626,361 2.665,362 3.456,363 0.86,364 8.384,365 2.569,366 3.908,367 2.968,368 5.556,369 3.534,370 2.556,371 3.366,372 0.86,373 7.58,374 2.484,375 3.644,376 2.683,377 5.313,378 3.305,379 2.325,380 2.951,381 0.359,382 6.869,383 2.269,384 3.331,385 2.474,386 5.088,387 2.939,388 1.98,389 2.547,391 5.904,392 1.879,393 3.191,394 2.195,395 4.692,396 2.883,397 1.929,398 2.317,400 5.13,401 1.83,402 2.954,403 2.138,404 4.459,405 2.518,406 1.562,407 2.1,409 4.303,410 1.489,411 2.821,412 1.634,413 4.251,414 2.406,415 1.434,416 1.904,418 3.727,419 1.388,420 2.712,421 1.477,422 3.573,423 2.298,424 1.333,425 1.757,427 2.985,428 1.277,429 2.567,430 1.296,431 3.493,432 2.078,433 1.103,434 1.558,436 2.541,437 1.068,438 2.5,439 1.108,440 3.349,441 2,442 1,443 1.5,445 2.136,446 1,447 1.971,448 1.009,449 3.247,450 1.596,451 0.67,452 0.821,454 1.414,455 0.61,456 1.497,457 1,458 2.874,459 1.224,460 0.376,461 0.408,463 0.52,464 0.316,465 1.264,466 0.6,467 2.851,468 0.973,474 14.733,475 0.475,476 0.691,477 0.022,478 42,479 1.355,480 22.5,481 0.726,482 19.5,483 0.629,484 24.096,485 0.777,486 32.667,487 0.583,488 33.918,489 1.094,490 8.841,491 0.285,492 6.227,493 0.201,494 0.124,496 0.333,501 0.788,502 1.223,503 0.767,504 1.103,505 0.637,506 0.96,507 1.259,508 0.829,509 0.884,510 0.786,511 0.771,512 0.762,513 0.991,514 1.25,515 1.015,516 1.202,517 0.924,518 1.129,519 0.905,520 0.997,521 0.898,522 0.957,523 0.86,524 0.927,525 0.963,526 1.088,527 1.058,528 1.08,529 0.947,530 1.082,531 0.871,532 0.923,533 0.979,534 0.957,535 1,536 0.983,537 0.917,538 0.996,539 0.982,540 1.004,541 1.264,542 1.005,543 1.233,544 0.952,545 1.117,546 0.956,547 1.602,548 1.013,549 6.5,550 0.161,551 2.889,552 2.063,553 2.142,554 1.09,555 0.749,556 0.373,557 0.34,558 0.204,559 13496,560 34341,561 2.084,562 44.6,564 25,572 1.735,573 1.958,574 3.657,575 -0.831,582 78.904,583 1.409,584 3.237,585 4.217,586 4.847,587 5.075,588 5.231,589 3.112,590 4.632,591 4.923,592 3.813,593 1773.12,594 8.593,595 25557,597 1,600 325.212,601 1.383,602 4.888,603 0.191,604 0.006,605 0.061,606 0.041,607 0.046,608 0.025,609 0.019,610 0.01,611 0.011,612 0.007,613 0.417,614 0.33,615 1,616 0.796,617 162.305,618 -0.001,619 -0.149,620 0.068,621 -0.085,622 -0.039,623 -0.013,624 -0.15,625 0.243,626 0.057,627 0.186,628 -0.019,629 0.168,630 0.027,631 -0.234,632 -0.098,633 -0.205,634 -0.002,635 -0.179,636 0.121,637 0.001,638 0.094,639 0.015,640 0.113,641 0.046,642 0.074,643 -0.09,644 -0.089,645 -0.101,646 0.052,647 -0.117,648 0.057,649 0.046,650 0.008,651 0.028,652 0.058,653 0.012,654 -0.05,655 -0.031,656 -0.003,657 -0.014,658 -0.065,659 -0.004,660 -0.119,661 0.019,662 -0.119,663 0.023,664 -0.215,665 -0.041,666 1.788,667 5.742,668 0.71,669 34.035,670 1,671 1.113,672 3.501,673 12.256,674 0.678,675 3.555,676 3.871,677 4.143,678 4.419,679 4.673,680 4.754,681 4.89,682 5.004,683 5.142,684 5.159,685 7.464,686 0.646,687 415.52,688 3.555,689 5.094,690 5.943,691 6.821,692 7.688,693 8.572,694 9.446,695 10.335,696 11.214,697 12.105,698 1.8,701 1,715 11,720 7,722 18,727 1,739 3,741 56,743 20,744 3,745 34,747 59,748 26,749 18,750 7,751 11,752 3,756 4,757 5,772 21,773 5,777 2,782 1,784 1,786 2,793 25,794 5,796 5,802 1,808 0.75,809 4,829 4,833 1,849 2,855 1,859 3,864 3,868 31,876 2,878 3,881 1,893 7.1,896 1,898 3,901 15.833,902 11.117,903 6.944,904 3.108,907 3.631,908 1.459,909 0.98,910 6.402,911 11.547,912 3.829,913 4.413,914 4.985,915 5.544,916 6.094,917 6.304,918 6.669,919 6.993,920 7.392,921 7.667,922 0.889,923 50,924 11.449,926 4.786,927 0.026,929 7.677,931 21.9,933 17.597,936 2.177,937 67.5,940 1,941 294.278,942 186.938,943 3.124,945 58.145,948 186.938,949 352.422,950 3.124,951 30.162,952 4.211,953 113.715,954 35.522,955 64.597,957 294.278,959 294.278,960 190.063,961 58.145,964 294.278,965 58.145,968 7.336,969 168.007,970 14.72,972 294.278,973 61.269,974 186.938,977 294.278,978 43.061,979 147.002,981 58.145,982 294.278,983 61.269,984 186.938,986 0.574,987 0.341,988 0.191,989 0.106,990 22,991 10,992 0.119,993 7,994 1,995 1.091,996 4.231,997 278.113,998 0.091,999 22,1000 149.58,1005 21.165,1006 9.377,1007 4.816,1009 61.269,1010 21.799,1015 5.216,1018 542.485,1019 45,1024 12.742,1026 1.529,1028 0.404,1031 56.014,1032 62.318,1034 0.243,1035 0.557,1036 0.726,1037 0.835,1038 0.874,1039 0.901,1040 5.059,1041 1.562,1042 5.922,1043 5.13,1044 4.554,1045 5.1,1046 2.013,1047 6.723,1048 4.488,1049 6.261,1050 1.434,1051 7.471,1052 4.303,1053 4.111,1054 4.832,1055 0.325,1056 7.573,1057 4.021,1058 7.562,1059 1.333,1060 9.117,1061 3.727,1062 6.138,1063 7.26,1064 1.747,1065 10.669,1066 6.019,1067 8.897,1068 1.103,1069 10.82,1070 2.985,1071 6.494,1072 7.779,1073 0.504,1074 12.322,1075 6.348,1076 10.261,1077 1,1078 12.558,1079 2.541,1080 7.986,1081 9.684,1082 1.534,1083 14.928,1084 7.82,1085 11.646,1086 0.67,1087 14.32,1088 2.136,1089 8.726,1090 10.595,1091 0.585,1092 16.936,1093 8.531,1094 13.048,1095 0.376,1096 16.101,1097 1.414,1098 9.993,1099 12.258,1100 1.356,1101 19.362,1102 9.78,1103 3.164,1105 17.895,1106 0.52,1107 10.925,1108 13.383,1109 0.622,1110 21.539,1111 10.684,1112 2.856,1113 10.512,1114 19.7,1116 12.098,1117 14.922,1118 1.208,1119 23.898,1120 11.838,1121 2.665,1122 9.164,1123 21.514,1124 4.185,1125 13.126,1126 16.17,1127 0.639,1128 26.155,1129 12.839,1130 2.556,1131 8.384,1132 23.335,1133 3.826,1134 14.263,1135 17.645,1136 1.086,1137 28.493,1138 13.955,1139 2.325,1140 7.58,1141 25.163,1142 3.456,1143 15.34,1144 18.963,1145 0.646,1146 30.79,1147 15.006,1148 1.98,1149 6.869,1150 26.996,1151 3.366,1152 16.466,1153 20.406,1154 0.986,1155 33.124,1156 16.111,1157 1.929,1158 5.904,1159 28.834,1160 2.951,1161 17.57,1162 21.765,1163 0.648,1164 35.442,1165 17.189,1166 12874,1167 20730,1168 22.77,1169 37.96,1170 50.546,1171 51.973,1172 52,1173 49.842,1174 49.909,1175 65.393,1176 7.867,1177 142.337,1178 48.108,1179 5.4,1180 5.615,1181 6.388,1182 5.238,1183 5.164,1184 7.185,1185 1.855,1186 17.474,1187 5.087,1188 14.842,1189 1.487,1190 1.529,1191 1.529,1192 1.466,1193 1.468,1194 1.923,1195 0.231,1196 4.186,1197 1.415,1198 4.044,1199 4.057,1200 4.007,1201 3.962,1202 7.428,1203 3.969,1204 3.925,1205 3.953,1206 3.861,1207 3.851,1208 4.976,1209 3.849,1210 3.869,1211 3.891,1212 3.807,1213 3.811,1214 4.781,1215 3.809,1216 3.554,1217 3.606,1218 3.481,1219 3.389,1220 4.746,1221 3.404,1222 3.455,1223 3.492,1224 3.34,1225 3.261,1226 4.556,1227 3.271,1228 3.249,1229 3.314,1230 3.066,1231 2.959,1232 4.492,1233 2.97,1234 3.146,1235 3.218,1236 2.979,1237 2.939,1238 4.189,1239 2.94,1240 3.01,1241 3.071,1242 2.892,1243 2.878,1244 4.003,1245 2.862,1246 0.133,1247 0.106,1248 0.194,1249 0.122,1250 0.093,1251 4.522,1252 0.123,1253 3.615,1254 0.029,1255 6.586,1256 0.309,1257 4.138,1258 0.091,1259 3.164,1260 4.185,1261 0.995,1262 10.512,1263 3.087,1264 1.979,1265 1.967,1266 2.075,1267 2.078,1268 1.24,1269 2.073,1270 1.915,1271 1.887,1272 2.03,1273 2.017,1274 1.146,1275 2.02,1276 1.863,1277 1.845,1278 1.95,1279 1.949,1280 1.083,1281 1.956,1282 1.502,1283 1.457,1284 1.733,1285 1.721,1286 0.862,1287 1.728,1288 1.397,1289 1.35,1290 1.603,1291 1.62,1292 0.634,1293 1.61,1294 1.191,1295 1.116,1296 1.575,1297 1.524,1298 0.574,1299 1.539,1300 1.138,1301 1.064,1302 1.452,1303 1.368,1304 0.556,1305 1.401,1306 1.029,1307 0.967,1308 1.369,1309 1.224,1310 0.502,1311 1.28,1312 4.234,1314 5.549,1316 7.067,1318 8.679,1320 10.342,1322 5.191,1328 1.642,1330 16.725,1333 2.252,1340 36.202,1341 78.904,1342 181.278,1343 236.139,1344 271.437,1345 284.192,1346 292.947,1347 52.121,1348 7.915,1349 51.91,1350 51.91,1351 24,1352 12.636,1353 4.392,1354 3.585,1355 49.56,1356 138,1357 145,1358 0.173,1359 221.176,1360 393.34,1361 531.429,1362 32250,1364 21.794,1365 0.703,1366 0.578,1367 21.794,1368 17.923,1369 15.067,1370 0.443,1371 0.297,1372 9.927,1373 14.47,1374 9.566,1375 8.019,1376 15.067,1377 10.088,1378 13.314,1379 0.283,1380 0.16,1381 13.314,1382 7.537,1383 11.198,1384 0.181,1385 0.084,1386 11.198,1387 5.193,1388 9.613,1389 0.117,1390 0.045,1391 9.613,1392 3.71,1393 7.848,1394 0.074,1395 0.024,1396 7.848,1397 2.495,1398 0.276,1399 94.725,1400 0.21,1401 29.347,1402 0.465,1403 162,1404 482.587,1405 175.817,1406 458.901,1407 628.04,1408 432,1409 190,1410 456.761,1411 205.233,1412 468.371,1413 680.64,1414 435,1415 5.644}
{0 CHEMBL245079,1 1.377,2 6.158,3 1.26,4 1.587,5 78.139,6 6.574,8 3.764,9 3.896,10 3.247,11 3.342,12 4.666,13 3.292,14 4.396,15 4.577,16 3.699,17 3.847,18 5.261,19 3.767,20 4.787,21 5.008,22 3.847,23 4.11,24 5.591,25 3.996,26 4.935,27 5.196,28 3.781,29 4.145,30 5.656,31 3.988,32 4.9,33 5.182,34 3.485,35 4.006,36 5.62,37 3.811,38 4.703,39 5.026,40 3.041,41 3.634,42 5.453,43 3.388,44 4.202,45 4.543,46 2.299,47 2.935,48 5.051,49 2.684,50 3.348,51 3.691,52 1.538,53 1.941,54 4.367,55 1.737,56 0.043,57 0.578,58 9.307,59 3.903,60 5.13,61 5.509,62 0.138,63 1.029,64 17.974,65 7.284,66 16.208,67 10.457,68 0.193,69 1.441,70 27.102,71 10.307,72 25.649,73 15.009,74 0.231,75 1.584,76 31.613,77 12.097,78 24.924,79 17.768,80 0.261,81 1.462,82 30.907,83 11.119,84 30.328,85 16.59,86 0.25,87 1.078,88 25.629,89 9.264,90 32.448,91 13.775,92 0.208,93 0.584,94 16.004,95 5.008,96 28.166,97 7.395,98 0.108,99 0.21,100 6.862,101 2.042,102 18.163,103 2.871,104 5,105 34,106 0.249,107 0.626,108 0.842,109 0.888,110 0.888,111 0.888,112 3.015,113 1.001,114 -3.86,115 -3.82,116 -3.63,121 41,122 1,123 4,124 2,127 1,132 1,137 3,138 2,140 1,160 1,176 10,180 1,183 1,185 7,187 14,192 1,197 6,200 14,206 2,210 1,211 7,214 16,219 1,224 2,227 8,232 3,235 1,237 2,239 4,244 2,256 2,281 351,282 12.911,283 12.911,284 12.911,285 12.911,286 12.911,287 12.095,288 19.904,289 7.341,290 12.995,291 10.873,292 10.873,293 10.873,294 10.873,295 10.873,296 9.522,297 28.562,298 3.462,299 11.003,300 3.909,301 1.83,302 0.635,303 0.378,304 0.378,305 0.378,306 3.714,311 1,312 1,313 262,314 2.449,318 106.468,320 34.97,322 134.862,324 55.452,325 0.936,326 14.471,329 1,330 0.83,331 1,332 1,333 0.5,334 1,335 1,336 0.9,337 40,338 117,339 4.808,340 3.969,341 8.053,342 4.687,343 3.703,344 4.058,345 1.081,346 15.606,347 3.643,348 3.986,349 3.472,350 6.183,351 3.643,352 2.658,353 3.24,354 0.68,355 8.733,356 2.616,357 3.683,358 2.811,359 5.872,360 3.46,361 2.47,362 2.87,363 0.657,364 8.16,365 2.442,366 3.433,367 2.712,368 5.116,369 3.145,370 2.143,371 2.564,372 0.473,373 6.036,374 2.146,375 3.309,376 2.433,377 4.954,378 3.04,379 2.02,380 2.326,382 5.667,383 2.048,384 2.7,385 1.68,386 4.329,387 2.466,388 1.487,389 1.601,391 3.577,392 1.454,393 2.5,394 1.391,395 4.098,396 2.245,397 1.261,398 1.48,400 3.17,401 1.238,402 2.037,403 1.26,404 3.78,405 1.969,406 1.004,407 1.021,409 2.668,410 0.967,411 1.53,412 0.754,413 3.294,414 1.13,415 0.125,416 0.15,418 0.356,419 0.125,420 1.126,421 0.44,422 3.16,423 0.943,424 -0.047,425 -0.051,427 -0.121,428 -0.047,429 0.818,430 0.159,431 2.763,432 0.65,433 -0.367,434 -0.439,436 -0.911,437 -0.37,438 0.59,439 -0.27,440 2.491,441 0.407,442 -0.574,443 -0.613,445 -1.674,446 -0.562,447 0.314,448 -0.393,449 2.356,450 0.149,451 -0.849,452 -0.934,454 -2.11,455 -0.841,456 0.191,457 -0.816,458 2.333,459 0.062,460 -0.922,461 -0.963,463 -2.515,464 -0.908,465 0.057,466 -0.848,467 1.934,468 -0.188,469 -1.214,470 -1.443,472 -3.305,473 -1.239,474 9.133,475 0.481,476 0.57,477 0.03,478 17.75,479 0.934,480 5.5,481 0.289,482 12.25,483 0.645,484 20.317,485 1.069,486 20.867,487 0.535,488 10.026,489 0.528,490 2.915,491 0.153,492 6.273,493 0.33,494 0.091,495 0.055,496 0.328,501 0.755,502 1.182,503 0.893,504 1.034,505 0.551,506 0.978,507 0.572,508 1.177,509 0.883,510 1.062,511 0.432,512 1.01,513 0.922,514 1.132,515 1.051,516 1.078,517 0.725,518 1.072,519 0.641,520 1.082,521 0.98,522 1.079,523 0.485,524 1.064,525 0.915,526 1.032,527 1.139,528 1.088,529 0.734,530 1.121,531 0.685,532 0.917,533 0.897,534 0.988,535 0.789,536 0.969,537 1.746,538 0.641,539 0.96,540 0.72,541 2.138,542 0.762,543 2.556,544 0.459,545 0.807,546 0.499,547 3.553,548 0.512,549 5,551 2.889,552 2.063,553 1.524,554 0.708,555 0.322,556 0.134,557 0.02,559 2846,560 5712,561 2.192,562 51.3,563 6,564 5,567 2,569 7,572 1.614,573 2.054,574 2.615,575 0.29,577 1,579 1,582 53.692,583 1.377,584 3.456,585 4.651,586 4.907,587 4.907,588 4.907,589 2.149,590 3.827,591 4.221,592 2.685,593 459.219,594 7.245,595 4231.27,596 1,597 1,600 206.131,601 1.578,602 4.175,603 0.227,605 0.085,606 0.054,607 0.045,608 0.031,609 0.025,610 0.027,611 0.01,613 0.504,614 1,615 1,616 0.565,617 77.909,618 -0.041,619 0.045,620 0.063,621 0.083,622 -0.017,623 0.085,624 0.137,625 -0.044,626 0.07,627 0.008,628 0.118,629 0.027,630 -0.088,631 -0.058,632 -0.087,633 -0.061,634 -0.031,635 -0.071,636 0.032,637 -0.087,638 -0.033,639 -0.087,640 0.032,641 -0.071,642 -0.105,643 -0.063,644 -0.179,645 -0.136,646 -0.076,647 -0.158,648 0.15,649 -0.07,650 0.062,651 -0.059,652 0.082,653 -0.014,654 -0.122,655 0.142,656 0.071,657 0.138,658 -0.149,659 0.128,660 -0.132,661 0.204,662 0.289,663 0.334,664 -0.155,665 0.347,666 1.636,667 4.592,668 0.895,669 9.607,670 0.987,671 1.127,672 2.634,673 6.937,674 0.649,675 3.135,676 3.555,677 3.932,678 4.344,679 4.682,680 4.86,681 4.99,682 5.124,683 5.112,684 5.024,685 3.793,686 0.603,687 256.38,688 3.135,689 4.727,690 5.638,691 6.592,692 7.528,693 8.49,694 9.434,695 10.398,696 11.345,697 12.31,698 5.1,700 1,705 1,741 39,743 4,745 22,747 42,748 16,752 5,756 4,757 10,763 1,767 4,768 3,770 4,772 7,773 9,774 3,777 4,782 1,784 3,786 4,790 1,793 20,794 3,795 2,796 3,802 2,808 0.25,809 1,829 4,831 1,833 3,835 1,843 1,849 4,850 2,853 1,859 1,864 1,868 19,876 5,877 2,880 2,882 1,893 2.6,896 1,901 9.25,902 7.083,903 3.972,904 2.604,907 1.103,908 1.151,909 0.995,910 2.391,911 8.422,912 3.296,913 3.829,914 4.317,915 4.844,916 5.328,917 5.652,918 5.875,919 6.14,920 6.213,921 6.303,922 1,923 38,924 7.104,926 3.21,927 0.026,929 7.504,931 14.279,933 13.218,936 2.004,937 38.083,938 0.003,941 211.88,942 63.33,943 36.022,945 25.145,948 63.33,949 237.025,950 36.022,951 8.825,952 30.255,953 46.439,954 32.606,955 6.371,957 211.88,959 211.88,960 99.352,961 25.145,964 129.482,965 107.543,968 57.091,969 11.076,970 31.185,972 211.88,973 61.166,974 63.33,977 211.88,978 26.076,979 37.254,980 36.022,981 25.145,982 211.88,983 61.166,984 63.33,986 0.599,987 0.365,988 0.225,989 0.135,990 21,991 8,994 4,995 1.412,996 3.007,997 163.376,998 0.471,999 16,1000 80.711,1005 11.629,1006 3.907,1007 1.55,1009 61.166,1017 36.022,1018 336.377,1019 26,1024 11.592,1026 6.202,1028 4.031,1031 38.483,1032 43.943,1034 0.26,1035 0.654,1036 0.88,1037 0.928,1038 0.928,1039 0.928,1040 4.635,1041 1.004,1042 5.694,1043 3.17,1044 4.234,1045 4.511,1046 1.718,1047 6.676,1048 4.211,1049 5.852,1050 0.125,1051 7.358,1052 2.668,1053 4.111,1054 4.443,1056 8.169,1057 4.079,1058 7.209,1059 -0.047,1060 9.147,1061 0.356,1062 6.023,1063 6.567,1064 1.533,1065 11.362,1066 5.97,1067 8.596,1068 -0.367,1069 11.018,1070 -0.121,1071 6.735,1072 7.273,1074 13.741,1075 6.665,1076 10.023,1077 -0.574,1078 12.948,1079 -0.911,1080 8.208,1081 8.941,1082 1.52,1083 16.589,1084 8.119,1085 11.476,1086 -0.849,1087 14.92,1088 -1.674,1089 9.286,1090 10.008,1092 19.238,1093 9.177,1094 12.952,1095 -0.922,1096 16.922,1097 -2.11,1098 10.627,1099 11.504,1100 1.588,1101 22.01,1102 10.501,1103 3.703,1104 -1.214,1105 18.947,1106 -2.515,1107 11.851,1108 12.745,1110 24.731,1111 11.706,1112 2.658,1113 15.606,1114 20.988,1115 -3.305,1116 13.16,1117 14.175,1118 1.692,1119 27.485,1120 12.998,1121 2.47,1122 8.733,1123 23.042,1124 4.058,1125 14.437,1126 15.498,1128 30.225,1129 14.258,1130 2.143,1131 8.16,1132 25.103,1133 3.24,1134 15.741,1135 16.905,1136 1.812,1137 32.974,1138 15.545,1139 2.02,1140 6.036,1141 27.171,1142 2.87,1143 17.038,1144 18.267,1146 35.72,1147 16.825,1148 1.487,1149 5.667,1150 29.244,1151 2.564,1152 18.343,1153 19.667,1154 1.941,1155 38.468,1156 18.114,1157 1.261,1158 3.577,1159 31.321,1160 2.326,1161 19.647,1162 21.048,1164 41.215,1165 19.401,1166 2726,1167 3927,1168 14.909,1169 25.319,1170 34.698,1171 35.116,1172 35.862,1173 33.734,1174 33.743,1175 38.621,1176 5.782,1177 107.945,1178 33.356,1179 5.808,1180 5.883,1181 7.686,1182 5.726,1183 5.703,1184 6.803,1185 2.162,1186 24.214,1187 5.643,1188 7.191,1189 1.577,1190 1.596,1191 1.63,1192 1.533,1193 1.534,1194 1.755,1195 0.263,1196 4.907,1197 1.516,1198 4.095,1199 4.132,1200 4.028,1201 4.015,1202 7.43,1203 4.013,1204 3.716,1205 3.757,1206 3.643,1207 3.586,1208 4.674,1209 3.593,1210 3.577,1211 3.641,1212 3.429,1213 3.45,1214 4.348,1215 3.435,1216 3.312,1217 3.382,1218 3.156,1219 3.176,1220 4.183,1221 3.161,1222 3.13,1223 3.193,1224 3.022,1225 2.962,1226 3.866,1227 2.967,1228 2.975,1229 3.069,1230 2.78,1231 2.795,1232 3.654,1233 2.777,1234 2.819,1235 2.885,1236 2.658,1237 2.564,1238 3.552,1239 2.572,1240 2.756,1241 2.849,1242 2.527,1243 2.527,1244 3.287,1245 2.527,1246 0.219,1247 0.18,1248 0.366,1249 0.213,1250 0.168,1251 4.808,1252 0.184,1253 3.969,1254 0.049,1255 8.053,1256 0.709,1257 4.687,1258 0.166,1259 3.703,1260 4.058,1261 1.081,1262 15.606,1263 3.643,1264 2.061,1265 2.029,1266 2.187,1267 2.167,1268 1.59,1269 2.175,1270 1.679,1271 1.643,1272 1.859,1273 1.849,1274 1.155,1275 1.847,1276 1.592,1277 1.531,1278 1.808,1279 1.754,1280 0.95,1281 1.781,1282 1.327,1283 1.263,1284 1.6,1285 1.513,1286 0.85,1287 1.547,1288 1.102,1289 1.042,1290 1.405,1291 1.335,1292 0.649,1293 1.359,1294 0.992,1295 0.905,1296 1.337,1297 1.231,1298 0.552,1299 1.274,1300 0.784,1301 0.7,1302 1.108,1303 1.053,1304 0.272,1305 1.053,1306 0.723,1307 0.649,1308 1.025,1309 1.005,1310 0.224,1311 1.039,1312 3.807,1314 5.198,1316 6.825,1318 8.579,1320 10.401,1322 2.248,1328 5.758,1329 6.883,1332 1.287,1334 0.083,1340 23.499,1341 53.692,1342 134.772,1343 181.376,1344 191.376,1345 191.376,1346 191.376,1347 25.999,1348 7.319,1349 44.89,1350 44.89,1351 24,1352 12.793,1353 2.322,1354 2.322,1355 24.063,1356 43,1357 47,1358 0.296,1359 140.55,1360 256.15,1361 334.701,1362 12773,1364 13.035,1365 0.686,1366 0.596,1367 13.035,1368 11.331,1369 9.188,1370 0.418,1371 0.334,1372 7.289,1373 8.989,1374 7.092,1375 5.817,1376 9.188,1377 7.34,1378 8.911,1379 0.262,1380 0.189,1381 8.911,1382 6.419,1383 7.737,1384 0.155,1385 0.105,1386 7.737,1387 5.259,1388 7.44,1389 0.098,1390 0.062,1391 7.44,1392 4.688,1393 6.573,1394 0.061,1395 0.036,1396 6.573,1397 3.824,1398 0.422,1399 56.542,1400 0.259,1401 17.907,1402 0.966,1403 112,1404 230.401,1405 118.322,1406 227.569,1407 320.09,1408 214,1409 140,1410 242.58,1411 145.991,1412 247.95,1413 370.88,1414 235,1415 7.622}
{0 CHEMBL24519,1 1.492,2 10.545,3 0.11,4 0.012,5 119.631,6 7.348,7 0.162,8 4.241,9 4.334,10 3.781,11 3.756,12 5.35,13 3.746,14 4.848,15 4.987,16 4.275,17 4.256,18 5.903,19 4.236,20 5.273,21 5.422,22 4.546,23 4.576,24 6.349,25 4.538,26 5.586,27 5.783,28 4.619,29 4.707,30 6.762,31 4.632,32 5.64,33 5.872,34 4.489,35 4.661,36 6.718,37 4.561,38 5.535,39 5.778,40 4.38,41 4.452,42 6.701,43 4.381,44 5.255,45 5.444,46 4.188,47 4.187,48 6.648,49 4.147,50 4.93,51 5.14,52 3.845,53 3.973,54 6.087,55 3.902,56 0.132,57 0.834,58 13.333,59 6.519,60 27.823,61 7.824,62 0.384,63 1.458,64 26.343,65 11.576,66 69.246,67 14.48,68 0.648,69 2.115,70 41.695,71 17.259,72 104.978,73 21.596,74 1.556,75 2.643,76 62.207,77 22.347,78 238.811,79 29.402,80 1.382,81 2.693,82 68.13,83 22.953,84 230.488,85 31.055,86 1.567,87 2.288,88 63.97,89 19.188,90 251.438,91 26.02,92 1.895,93 1.686,94 48.136,95 13.683,96 262.574,97 17.261,98 0.731,99 1.318,100 33.257,101 10.846,102 109.108,103 14.156,104 66,105 60,106 0.241,107 0.611,108 0.793,109 0.862,110 0.883,111 0.883,112 3.533,113 0.92,114 -2.97,115 -2.97,116 -2.87,121 40.3,122 3,123 3,124 2,125 2,127 1,129 2,132 1,137 1,138 1,140 2,144 2,145 1,147 2,158 1,160 1,176 10,179 1,180 12,185 4,187 17,192 6,195 1,197 8,200 17,205 5,206 13,210 1,211 7,214 14,218 1,219 12,222 1,224 10,227 9,232 11,236 2,237 1,239 7,243 2,244 9,247 6,249 5,251 8,256 2,261 2,264 8,268 1,269 2,272 4,274 2,277 8,281 1571,282 21.553,283 21.553,284 21.553,285 21.553,286 21.553,287 20.189,288 20.335,289 11.685,290 21.872,291 18.042,292 18.042,293 18.042,294 18.042,295 18.042,296 15.862,297 25.357,298 5.333,299 18.589,300 4.462,301 2.175,302 1.045,303 0.617,304 0.488,305 0.488,306 4.229,311 1,312 1,313 761,314 3.873,318 311.085,322 277.878,325 1.835,326 65.786,329 1,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.98,337 73.5,338 348,339 4.943,340 4.162,341 8.34,342 4.903,343 3.915,344 4.149,345 1.674,346 16.653,347 3.871,348 4.591,349 3.765,350 7.829,351 4.482,352 3.506,353 3.837,354 1.277,355 14.37,356 3.421,357 4.352,358 3.609,359 7.197,360 4.052,361 3.075,362 3.625,363 0.86,364 11.79,365 3.002,366 4.078,367 3.359,368 6.739,369 3.946,370 2.97,371 3.385,373 10.836,374 2.884,375 3.979,376 3.029,377 6.138,378 3.702,379 2.711,380 2.993,382 8.982,383 2.678,384 3.427,385 2.899,386 5.838,387 3.085,388 2.09,389 2.672,391 6.94,392 2.068,393 3.275,394 2.55,395 5.252,396 2.926,397 1.967,398 2.366,400 5.938,401 1.872,402 3.154,403 2.161,404 5.074,405 2.816,406 1.857,407 2.262,409 5.285,410 1.769,411 2.919,412 1.959,413 4.779,414 2.666,415 1.712,416 1.919,418 4.577,419 1.617,420 2.632,421 1.925,422 4.46,423 2.497,424 1.529,425 1.629,427 4.116,428 1.464,429 2.589,430 1.262,431 4.233,432 2.032,433 1.09,434 1.553,436 2.679,437 1.02,438 2.5,439 1.249,440 3.932,441 1.984,442 1,443 1.5,445 2.136,446 0.983,447 1.794,448 1.132,449 3.528,450 1.71,451 0.786,452 0.788,454 2.044,455 0.717,456 1.535,457 1,458 3.437,459 1.405,460 0.438,461 0.451,463 1.117,464 0.419,465 1.397,466 0.85,467 3.345,468 1.112,469 0.197,470 0.199,472 0.341,473 0.175,474 15.233,475 0.462,476 1.286,477 0.039,478 33.25,479 1.008,480 12,481 0.364,482 21.25,483 0.644,484 44.375,485 1.345,486 37.567,487 0.606,488 29.208,489 0.885,490 5.8,491 0.176,492 9.758,493 0.296,494 0.208,495 0.098,496 0.328,501 0.828,502 1.169,503 0.806,504 1.102,505 0.791,506 0.975,507 0.747,508 1.036,509 0.743,510 1.007,511 0.661,512 0.894,513 0.933,514 1.173,515 0.962,516 1.192,517 0.795,518 1.102,519 0.885,520 1.055,521 0.983,522 1.09,523 0.9,524 1.069,525 1.005,526 1.009,527 0.998,528 1.039,529 1.068,530 1.025,531 1.226,532 0.839,533 0.937,534 0.833,535 1.284,536 0.82,537 1.576,538 0.797,539 1.244,540 0.818,541 1.566,542 0.935,543 1.323,544 0.997,545 1.118,546 0.986,547 1.373,548 1.005,549 10,550 0.173,551 6.889,552 5.25,553 4.507,554 2.514,555 1.362,556 0.837,557 0.505,558 0.258,559 12831,560 35190,561 2.036,562 46.8,563 9,564 7,566 2,567 3,568 1,569 7,572 1.759,573 1.825,574 3.304,575 0.832,577 1,582 92.531,583 1.492,584 3.779,585 4.909,586 5.337,587 5.466,588 5.466,589 2.923,590 4.658,591 5.012,592 3.467,593 1830.66,594 8.817,595 24528.8,600 369.16,601 1.863,602 4.918,603 0.27,604 0.01,605 0.115,606 0.07,607 0.06,608 0.039,609 0.024,610 0.019,611 0.015,612 0.01,613 0.631,614 0.5,615 0.88,616 0.801,617 168.48,618 -0.085,619 0.036,620 0.024,621 0.072,622 -0.101,623 0.073,624 0.019,625 0.099,626 0.131,627 0.108,628 0.014,629 0.143,630 -0.05,631 -0.092,632 -0.054,633 -0.109,634 -0.023,635 -0.085,636 0.093,637 -0.077,638 -0.011,639 -0.08,640 0.073,641 -0.073,642 -0.044,643 -0.076,644 -0.002,645 -0.066,646 -0.049,647 -0.032,648 -0.068,649 0.05,650 0.116,651 0.089,652 -0.063,653 0.138,654 -0.031,655 0.114,656 -0.15,657 0.093,658 -0.013,659 -0.036,660 -0.195,661 -0.049,662 -0.105,663 -0.02,664 -0.172,665 -0.039,666 2.517,667 6.925,668 0.727,669 30.007,670 1.012,671 1.125,672 1.737,673 3.016,674 0.643,675 3.638,676 4.111,677 4.511,678 4.868,679 5.187,680 5.429,681 5.617,682 5.826,683 6.028,684 6.155,685 6.044,686 0.619,687 455.55,688 3.638,689 5.273,690 6.205,691 7.174,692 8.127,693 9.104,694 10.065,695 11.049,696 12.015,697 13.002,698 1.6,708 1,715 4,716 1,720 1,722 6,741 62,743 10,745 37,747 66,748 25,749 5,752 6,756 5,757 11,763 4,764 2,766 2,767 5,768 3,770 5,772 11,773 14,774 3,777 4,782 2,784 1,786 5,790 1,793 29,794 8,795 3,796 8,802 1,808 0.4,809 7,810 1,811 2,822 1,829 5,833 3,841 1,846 1,849 3,850 1,857 3,858 1,859 2,864 3,868 33,875 3,876 4,878 2,880 4,882 3,893 11.3,894 3,896 2,897 1,898 1,901 18.083,902 11.717,903 6.931,904 3.756,907 1.675,908 1.192,909 0.865,910 5.059,911 10.403,912 3.807,913 4.388,914 4.925,915 5.436,916 5.887,917 6.199,918 6.546,919 6.892,920 7.231,921 7.518,922 1,923 75,924 12.604,926 6.101,927 0.026,929 8.018,931 23.345,933 21.218,936 2.518,937 83.083,941 306.049,942 109.786,943 16.786,945 200.34,948 109.786,949 506.388,950 16.786,951 26.476,952 7.604,953 156.479,954 124.429,955 35.466,957 282.506,959 306.049,960 126.571,961 200.34,964 223.651,965 143.687,966 139.05,968 52.174,969 37.648,970 36.749,972 306.049,973 217.125,974 109.786,977 306.049,978 36.786,979 72.999,981 217.125,982 306.049,983 217.125,984 109.786,986 0.618,987 0.397,988 0.216,989 0.118,990 34,991 16,992 0.03,993 2,994 3,995 1.25,996 3.907,997 358.158,998 0.25,999 24,1000 162.465,1005 22.578,1006 7.395,1007 2.986,1009 217.125,1010 6.507,1011 3.964,1015 0.615,1017 128.05,1018 632.959,1019 44,1024 26.928,1026 1.523,1028 -1.007,1031 62.763,1032 69.777,1034 0.251,1035 0.635,1036 0.824,1037 0.896,1038 0.918,1039 0.918,1040 5.179,1041 1.857,1042 6.315,1043 5.938,1044 4.796,1045 5.075,1046 2.429,1047 7.365,1048 4.742,1049 6.44,1050 1.712,1051 8.044,1052 5.285,1053 4.89,1054 5.139,1056 8.998,1057 4.833,1058 7.83,1059 1.529,1060 9.893,1061 4.577,1062 6.706,1063 7.204,1064 3.142,1065 12.176,1066 6.619,1067 9.252,1068 1.09,1069 11.816,1070 4.116,1071 7.576,1072 7.992,1074 14.571,1075 7.485,1076 10.708,1077 1,1078 13.784,1079 2.679,1080 9.002,1081 9.644,1082 4,1083 17.427,1084 8.89,1085 12.186,1086 0.786,1087 15.784,1088 2.136,1089 10.158,1090 10.733,1092 20.072,1093 10.038,1094 13.682,1095 0.438,1096 17.805,1097 2.044,1098 11.489,1099 12.236,1100 4.937,1101 22.861,1102 11.355,1103 3.915,1104 0.197,1105 19.843,1106 1.117,1107 12.75,1108 13.466,1110 25.594,1111 12.606,1112 3.506,1113 16.653,1114 21.893,1115 0.341,1116 14.068,1117 14.908,1118 5.916,1119 28.375,1120 13.912,1121 3.075,1122 14.37,1123 23.953,1124 4.149,1125 15.371,1126 16.21,1128 31.143,1129 15.205,1130 2.97,1131 11.79,1132 26.021,1133 3.837,1134 16.694,1135 17.626,1136 6.918,1137 33.929,1138 16.518,1139 2.711,1140 10.836,1141 28.094,1142 3.625,1143 18.018,1144 18.968,1146 36.713,1147 17.832,1148 2.09,1149 8.982,1150 30.174,1151 3.385,1152 19.35,1153 20.373,1154 7.932,1155 39.506,1156 19.155,1157 1.967,1158 6.94,1159 32.257,1160 2.993,1161 20.685,1162 21.739,1164 42.299,1165 20.48,1166 12218,1167 20352,1168 23.463,1169 39.847,1170 58.683,1171 61.567,1172 62.954,1173 57.721,1174 57.803,1175 66.781,1176 7.624,1177 195.914,1178 56.031,1179 5.943,1180 6.162,1181 8.142,1182 6.005,1183 5.915,1184 7.149,1185 3.349,1186 26.176,1187 5.871,1188 20.215,1189 1.586,1190 1.664,1191 1.701,1192 1.56,1193 1.562,1194 1.805,1195 0.206,1196 5.295,1197 1.514,1198 4.107,1199 4.127,1200 4.05,1201 4.011,1202 7.445,1203 4.015,1204 3.923,1205 3.946,1206 3.867,1207 3.827,1208 7.413,1209 3.834,1210 3.784,1211 3.808,1212 3.723,1213 3.658,1214 6.466,1215 3.67,1216 3.586,1217 3.612,1218 3.502,1219 3.439,1220 6.448,1221 3.447,1222 3.451,1223 3.511,1224 3.302,1225 3.3,1226 6.439,1227 3.289,1228 3.242,1229 3.313,1230 3.129,1231 3.057,1232 4.939,1233 3.049,1234 3.226,1235 3.267,1236 3.064,1237 3.035,1238 4.728,1239 3.042,1240 3.082,1241 3.139,1242 2.953,1243 2.876,1244 4.425,1245 2.872,1246 0.134,1247 0.112,1248 0.225,1249 0.133,1250 0.106,1251 4.943,1252 0.112,1253 4.162,1254 0.045,1255 8.34,1256 0.45,1257 4.903,1258 0.105,1259 3.915,1260 4.149,1261 1.674,1262 16.653,1263 3.871,1264 2.045,1265 2.023,1266 2.178,1267 2.16,1268 1.637,1269 2.164,1270 1.888,1271 1.867,1272 1.979,1273 2.01,1274 1.223,1275 2,1276 1.737,1277 1.713,1278 1.885,1279 1.895,1280 1.048,1281 1.89,1282 1.539,1283 1.51,1284 1.736,1285 1.721,1286 1.03,1287 1.707,1288 1.455,1289 1.395,1290 1.679,1291 1.652,1292 0.828,1293 1.681,1294 1.246,1295 1.172,1296 1.586,1297 1.482,1298 0.777,1299 1.518,1300 1.18,1301 1.129,1302 1.51,1303 1.427,1304 0.678,1305 1.448,1306 1.05,1307 0.99,1308 1.355,1309 1.291,1310 0.439,1311 1.313,1312 4.317,1314 5.753,1316 7.414,1318 9.185,1320 11.016,1322 5.463,1327 32.187,1328 0.904,1330 11.814,1332 -2.967,1334 -2.849,1340 38.4,1341 92.531,1342 234.292,1343 304.366,1344 330.896,1345 338.896,1346 338.896,1347 108.143,1348 8.728,1349 130.09,1350 130.09,1351 30,1352 13.472,1353 3.459,1354 3,1355 47.579,1356 121,1357 141,1358 0.204,1359 227.888,1360 422.41,1361 547.807,1362 73138,1364 23.759,1365 0.72,1366 0.574,1367 23.759,1368 18.946,1369 15.558,1370 0.42,1371 0.307,1372 11.19,1373 14.909,1374 10.852,1375 8.856,1376 15.558,1377 11.348,1378 15.485,1379 0.258,1380 0.175,1381 15.485,1382 10.485,1383 14.365,1384 0.16,1385 0.097,1386 14.365,1387 8.722,1388 12.532,1389 0.097,1390 0.053,1391 12.532,1392 6.842,1393 10.205,1394 0.057,1395 0.028,1396 10.205,1397 5.036,1398 0.306,1399 98.445,1400 0.206,1401 29.494,1402 0.606,1403 194,1404 563.036,1405 214.542,1406 524.755,1407 704.78,1408 488,1409 247,1410 507.991,1411 268.708,1412 508.427,1413 765.22,1414 478,1415 5.102}
{0 CHEMBL24686,1 1.415,2 11.816,3 2.244,4 5.037,5 140.416,6 7.314,7 0.143,8 4.385,9 4.472,10 3.923,11 3.869,12 5.502,13 3.867,14 4.982,15 5.123,16 4.426,17 4.336,18 6.049,19 4.341,20 5.327,21 5.431,22 4.749,23 4.662,24 6.544,25 4.665,26 5.679,27 5.84,28 4.771,29 4.83,30 6.913,31 4.777,32 5.771,33 5.999,34 4.64,35 4.8,36 6.874,37 4.698,38 5.616,39 5.85,40 4.443,41 4.589,42 6.682,43 4.502,44 5.378,45 5.593,46 4.317,47 4.358,48 6.614,49 4.29,50 5.104,51 5.323,52 4.105,53 4.18,54 6.209,55 4.108,56 0.14,57 0.926,58 15.566,59 7.656,60 23.46,61 9.048,62 0.564,63 1.564,64 31.476,65 12.945,66 69.038,67 15.821,68 0.872,69 2.209,70 43.242,71 18.112,72 98.574,73 21.503,74 1.819,75 2.912,76 67.026,77 24.224,78 254.14,79 30.439,80 1.97,81 3.078,82 77.776,83 26.227,84 225.279,85 35.649,86 1.56,87 2.554,88 67.915,89 21.577,90 190.423,91 29.05,92 1.888,93 1.982,94 53.915,95 16.636,96 207.515,97 22.177,98 0.852,99 1.599,100 39.184,101 13.552,102 92.778,103 18.203,104 131,105 70,106 0.221,107 0.561,108 0.727,109 0.773,110 0.81,111 0.828,112 3.669,113 0.898,114 -2.95,115 -2.95,116 -2.85,121 40.3,122 4,123 3,125 2,126 3,132 3,137 3,138 1,140 2,144 2,145 1,146 3,158 1,160 1,176 9,179 1,180 12,185 5,187 13,191 2,192 13,195 1,197 9,200 22,205 3,206 10,209 2,210 1,211 5,214 18,218 3,219 15,222 3,224 6,227 14,231 1,232 10,239 11,243 6,244 9,247 2,249 2,251 8,255 2,256 9,261 2,264 8,269 6,274 1,277 4,281 2212,282 24.456,283 24.456,284 24.456,285 24.456,286 24.456,287 22.964,288 34.063,289 12.955,290 25.191,291 20.342,292 20.342,293 20.342,294 20.342,295 20.342,296 17.618,297 43.071,298 5.704,299 21.294,300 4.755,301 2.587,302 1.525,303 1.23,304 0.994,305 0.879,306 4.358,312 1,313 966,314 4.743,318 392.797,322 351.428,325 1.898,326 72.051,329 0.75,330 0.67,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.85,337 85,338 449,339 5.293,340 4.527,341 9.377,342 5.253,343 4.275,344 4.352,345 1.674,346 20.327,347 4.182,348 4.684,349 3.92,350 8.411,351 4.604,352 3.638,353 4.166,354 1.277,355 15.786,356 3.507,357 4.484,358 3.708,359 7.382,360 4.093,361 3.134,362 3.906,363 0.86,364 11.695,365 3.006,366 4.312,367 3.516,368 6.575,369 3.965,370 2.995,371 3.579,372 0.86,373 10.458,374 2.908,375 3.988,376 3.375,377 6.473,378 3.861,379 2.885,380 3.204,381 0.86,382 10.013,383 2.801,384 3.85,385 2.915,386 6.09,387 3.474,388 2.504,389 3.057,390 0.86,391 8.547,392 2.412,393 3.452,394 2.808,395 6.005,396 3.166,397 2.193,398 2.604,400 7.698,401 2.142,402 3.355,403 2.593,404 5.684,405 3.076,406 2.095,407 2.571,409 6.618,410 2.023,411 3.295,412 2.555,413 5.19,414 2.972,415 2.061,416 2.368,418 6.118,419 1.867,420 3.133,421 2.496,422 5.04,423 2.823,424 1.849,425 2.152,427 5.515,428 1.774,429 2.912,430 2.025,431 4.578,432 2.417,433 1.479,434 1.973,436 4.417,437 1.376,438 2.277,439 1.721,440 4.438,441 2.072,442 1.122,443 1.197,445 3.16,446 1.058,447 2.159,448 1.596,449 4,450 1.898,451 1.029,452 1.115,454 2.233,455 0.882,456 2.082,457 1.242,458 3.895,459 1.498,460 0.541,461 0.632,463 1.476,464 0.51,465 1.633,466 0.986,467 3.762,468 1.432,469 0.414,470 0.513,472 1.042,473 0.412,474 17.5,475 0.461,476 1.629,477 0.043,478 39.5,479 1.039,480 15,481 0.395,482 24.5,483 0.645,484 52.61,485 1.384,486 43.7,487 0.607,488 39.339,489 1.035,490 7.401,491 0.195,492 10.314,493 0.271,494 0.276,495 0.143,496 0.257,501 0.835,502 1.243,503 0.795,504 1.209,505 0.787,506 1.028,507 0.94,508 0.873,509 0.645,510 0.832,511 0.689,512 0.691,513 1.054,514 1.245,515 0.939,516 1.214,517 1.05,518 1.075,519 1.108,520 1.172,521 1.162,522 1.176,523 1.289,524 1.182,525 0.854,526 1.008,527 0.975,528 1.016,529 0.926,530 1.025,531 1.127,532 0.934,533 1.005,534 0.928,535 1.329,536 0.934,537 1.03,538 0.832,539 0.978,540 0.837,541 0.979,542 0.885,543 0.862,544 1.006,545 0.866,546 0.997,547 0.926,548 0.943,549 12.5,550 0.384,551 10,552 6.313,553 5.84,554 2.549,555 1.502,556 1.043,557 0.657,558 0.551,559 18904,560 51854,561 1.973,562 47.2,563 9,564 14,567 2,569 9,572 1.79,573 1.747,574 3.468,575 0.149,582 101.85,583 1.415,584 3.583,585 4.645,586 4.94,587 5.176,588 5.291,589 2.955,590 4.564,591 5.219,592 3.677,593 2585.19,594 9.209,595 39230.6,600 444.235,601 1.924,602 5.097,603 0.298,604 0.01,605 0.143,606 0.069,607 0.067,608 0.034,609 0.025,610 0.02,611 0.015,612 0.015,613 0.695,614 0.33,615 0.75,616 0.945,617 204.933,618 -0.061,619 -0.042,620 0.047,621 -0.027,622 -0.112,623 0.027,624 -0.017,625 0.229,626 0.276,627 0.258,628 0.033,629 0.328,630 -0.018,631 -0.115,632 -0.021,633 -0.109,634 -0.023,635 -0.073,636 -0.026,637 -0.137,638 -0.19,639 -0.154,640 -0.034,641 -0.205,642 0.065,643 -0.044,644 0.012,645 -0.045,646 0.054,647 -0.033,648 -0.099,649 0.005,650 0.013,651 0.015,652 -0.135,653 0.038,654 0.132,655 0.109,656 0.061,657 0.099,658 0.15,659 0.068,660 0.045,661 -0.028,662 0.113,663 -0.012,664 0.042,665 0.055,666 3.137,667 6.457,668 0.632,669 38.139,670 1.013,671 1.124,672 1.719,673 2.956,674 0.639,675 3.761,676 4.263,677 4.682,678 4.99,679 5.308,680 5.505,681 5.694,682 5.889,683 6.12,684 6.277,685 7.015,686 0.617,687 526.63,688 3.761,689 5.416,690 6.361,691 7.339,692 8.31,693 9.293,694 10.274,695 11.262,696 12.249,697 13.242,715 2,720 4,722 6,739 3,741 72,743 11,744 1,745 42,747 76,748 29,749 6,750 4,751 2,752 8,756 5,757 11,763 4,764 2,766 2,767 3,768 3,770 3,772 14,773 15,774 3,777 5,782 2,784 3,786 5,793 34,794 9,795 2,796 9,808 0.4,809 9,812 2,829 5,833 3,841 1,846 1,849 5,850 1,857 2,858 1,859 2,864 7,868 38,875 2,876 3,878 5,882 5,893 12.5,894 2,896 2,897 1,898 4,901 21.75,902 15.233,903 8.014,904 4.128,907 2.203,908 1.242,909 0.867,910 6.067,911 11.304,912 3.932,913 4.559,914 5.143,915 5.628,916 6.141,917 6.466,918 6.808,919 7.136,920 7.553,921 7.87,922 0.875,923 92,924 14.486,926 6.931,927 0.026,929 7.954,931 26.623,933 23.291,936 2.454,937 93.25,941 376.675,942 167.848,945 190.656,948 167.848,949 567.331,951 67.95,952 7.604,953 132.748,954 84.101,955 66.101,957 376.675,959 376.675,960 167.848,961 190.656,964 270.735,965 200.229,966 96.367,968 42.904,969 86.028,970 38.916,972 376.675,973 190.656,974 167.848,977 376.675,978 52.517,979 115.331,981 190.656,982 376.675,983 190.656,984 167.848,986 0.624,987 0.41,988 0.215,989 0.117,990 39,991 19,992 0.053,993 4,994 3,995 1.25,996 4.163,997 431.918,998 0.25,999 24,1000 189.421,1005 27.1,1006 8.507,1007 3.345,1009 190.656,1010 3.313,1015 1.657,1017 85.367,1018 735.179,1019 50,1024 26.815,1026 4.709,1028 -0.551,1031 72.967,1032 80.943,1034 0.229,1035 0.581,1036 0.753,1037 0.801,1038 0.839,1039 0.858,1040 5.325,1041 2.095,1042 6.506,1043 7.698,1044 4.949,1045 5.247,1046 2.759,1047 7.612,1048 4.872,1049 6.627,1050 2.061,1051 8.285,1052 6.618,1053 5.165,1054 5.46,1056 9.447,1057 5.07,1058 8.052,1059 1.849,1060 10.199,1061 6.118,1062 6.944,1063 7.479,1064 3.274,1065 12.707,1066 6.816,1067 9.515,1068 1.479,1069 12.198,1070 5.515,1071 7.927,1072 8.398,1074 15.346,1075 7.78,1076 11.014,1077 1.122,1078 14.256,1079 4.417,1080 9.375,1081 10.03,1082 4.043,1083 18.371,1084 9.205,1085 12.539,1086 1.029,1087 16.354,1088 3.16,1089 10.635,1090 11.23,1092 21.256,1093 10.444,1094 14.085,1095 0.541,1096 18.483,1097 2.233,1098 12.03,1099 12.737,1100 4.95,1101 24.249,1102 11.819,1103 4.275,1104 0.414,1105 20.634,1106 1.476,1107 13.39,1108 14.061,1110 27.211,1111 13.159,1112 3.638,1113 20.327,1114 22.801,1115 1.042,1116 14.792,1117 15.523,1118 5.92,1119 30.205,1120 14.542,1121 3.134,1122 15.786,1123 24.982,1124 4.352,1125 16.193,1126 16.906,1128 33.193,1129 15.924,1130 2.995,1131 11.695,1132 27.173,1133 4.166,1134 17.61,1135 18.353,1136 6.919,1137 36.193,1138 17.322,1139 2.885,1140 10.458,1141 29.371,1142 3.906,1143 19.031,1144 19.765,1146 39.192,1147 18.723,1148 2.504,1149 10.013,1150 31.576,1151 3.579,1152 20.459,1153 21.209,1154 7.933,1155 42.196,1156 20.132,1157 2.193,1158 8.547,1159 33.785,1160 3.204,1161 21.891,1162 22.637,1164 45.201,1165 21.545,1166 18275,1167 30411,1168 25.83,1169 46.034,1170 67.817,1171 70.489,1172 74.735,1173 66.372,1174 66.446,1175 77.065,1176 12.784,1177 233.713,1178 63.528,1179 6.293,1180 6.527,1181 8.919,1182 6.355,1183 6.275,1184 7.352,1185 3.349,1186 31.384,1187 6.182,1188 26.815,1189 1.615,1190 1.678,1191 1.779,1192 1.58,1193 1.582,1194 1.835,1195 0.304,1196 5.565,1197 1.513,1198 4.114,1199 4.127,1200 4.065,1201 4.017,1202 7.433,1203 4.025,1204 3.959,1205 3.964,1206 3.923,1207 3.872,1208 7.426,1209 3.882,1210 3.809,1211 3.82,1212 3.764,1213 3.691,1214 6.457,1215 3.704,1216 3.588,1217 3.617,1218 3.501,1219 3.459,1220 6.432,1221 3.462,1222 3.433,1223 3.482,1224 3.311,1225 3.28,1226 4.992,1227 3.277,1228 3.303,1229 3.355,1230 3.166,1231 3.109,1232 4.772,1233 3.115,1234 3.29,1235 3.341,1236 3.144,1237 3.04,1238 4.58,1239 3.033,1240 3.218,1241 3.287,1242 3.068,1243 3.006,1244 4.487,1245 3.026,1246 0.126,1247 0.108,1248 0.223,1249 0.125,1250 0.102,1251 5.293,1252 0.104,1253 4.527,1254 0.04,1255 9.377,1256 0.484,1257 5.253,1258 0.1,1259 4.275,1260 4.352,1261 1.674,1262 20.327,1263 4.182,1264 2.039,1265 2.024,1266 2.151,1267 2.156,1268 1.545,1269 2.152,1270 1.913,1271 1.907,1272 1.986,1273 2.025,1274 1.19,1275 2.009,1276 1.761,1277 1.745,1278 1.906,1279 1.906,1280 1.107,1281 1.9,1282 1.559,1283 1.528,1284 1.735,1285 1.728,1286 0.993,1287 1.729,1288 1.42,1289 1.369,1290 1.69,1291 1.617,1292 0.848,1293 1.641,1294 1.254,1295 1.203,1296 1.59,1297 1.558,1298 0.7,1299 1.565,1300 1.227,1301 1.163,1302 1.574,1303 1.517,1304 0.6,1305 1.535,1306 1.204,1307 1.143,1308 1.555,1309 1.478,1310 0.584,1311 1.504,1312 4.443,1314 5.9,1316 7.588,1318 9.392,1320 11.26,1322 11.469,1327 24.353,1328 0.27,1330 28.358,1334 -7.143,1340 44.389,1341 101.85,1342 257.978,1343 334.421,1344 355.666,1345 372.686,1346 380.95,1347 127.572,1348 9.1,1349 124.66,1350 124.66,1351 30,1352 13.706,1353 3.585,1354 3.17,1355 59.067,1356 166,1357 166,1358 0.186,1359 264.528,1360 495.55,1361 637.209,1362 116025,1364 27.889,1365 0.734,1366 0.599,1367 27.889,1368 22.76,1369 17.715,1370 0.422,1371 0.299,1372 12.327,1373 16.789,1374 11.761,1375 9.715,1376 17.715,1377 12.566,1378 17.932,1379 0.256,1380 0.163,1381 17.932,1382 11.429,1383 17.065,1384 0.159,1385 0.088,1386 17.065,1387 9.429,1388 13.767,1389 0.094,1390 0.047,1391 13.767,1392 6.821,1393 11.595,1394 0.058,1395 0.025,1396 11.595,1397 4.95,1398 0.285,1399 113.367,1400 0.197,1401 33.306,1402 0.532,1403 224,1404 688.448,1405 251.679,1406 633.598,1407 858.71,1408 590,1409 289,1410 632.515,1411 319.896,1412 635.518,1413 954.08,1414 591,1415 8.16}
{0 CHEMBL24844,1 1.416,2 12.162,3 1.228,4 1.507,5 134.715,6 7.248,7 0.146,8 4.372,9 4.461,10 3.897,11 3.855,12 5.48,13 3.851,14 4.977,15 5.119,16 4.374,17 4.338,18 6.022,19 4.325,20 5.352,21 5.489,22 4.66,23 4.659,24 6.449,25 4.631,26 5.674,27 5.864,28 4.729,29 4.806,30 6.846,31 4.738,32 5.752,33 5.979,34 4.594,35 4.775,36 6.815,37 4.675,38 5.648,39 5.888,40 4.499,41 4.579,42 6.787,43 4.503,44 5.4,45 5.594,46 4.356,47 4.333,48 6.749,49 4.297,50 5.107,51 5.301,52 4.106,53 4.152,54 6.3,55 4.102,56 0.159,57 0.92,58 15.677,59 7.611,60 27.914,61 9.059,62 0.558,63 1.578,64 31.356,65 13.124,66 76.215,67 16.23,68 0.814,69 2.265,70 45.579,71 18.849,72 104.603,73 23.448,74 1.686,75 2.887,76 67.79,77 24.33,78 238.575,79 32.027,80 1.667,81 2.987,82 76.134,83 25.371,84 236.914,85 34.529,86 1.792,87 2.55,88 70.951,89 21.513,90 253.249,91 29.531,92 2.162,93 1.928,94 55.814,95 15.833,96 271.463,97 20.467,98 1.061,99 1.542,100 39.731,101 12.81,102 125.394,103 16.623,104 110,105 66,106 0.223,107 0.575,108 0.783,109 0.857,110 0.879,111 0.884,112 3.643,113 0.918,114 -2.83,115 -2.84,116 -2.75,121 39.4,122 3,123 3,124 2,125 2,126 2,127 1,129 2,132 1,137 1,138 1,140 2,144 3,145 1,146 2,158 1,160 1,176 11,179 1,180 12,185 4,187 18,191 1,192 9,195 1,197 8,200 18,205 5,206 16,210 1,211 7,214 15,218 1,219 12,222 1,224 10,227 9,231 1,232 14,236 2,237 1,239 8,243 2,244 9,247 6,249 5,251 8,255 2,256 4,261 2,264 10,268 1,269 2,272 4,274 3,277 10,281 2064,282 24.241,283 24.241,284 24.241,285 24.241,286 24.241,287 22.904,288 27.567,289 12.981,290 24.83,291 19.852,292 19.852,293 19.852,294 19.852,295 19.852,296 17.506,297 33.297,298 5.728,299 20.659,300 4.734,301 2.492,302 1.17,303 0.701,304 0.56,305 0.532,306 4.336,312 1,313 971,314 4.243,318 374.678,322 336.339,325 2.013,326 72.68,329 0.75,330 0.67,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.85,337 83,338 450,339 4.943,340 4.162,341 8.34,342 4.903,343 3.915,344 4.159,345 1.674,346 16.653,347 3.871,348 4.593,349 3.765,350 7.829,351 4.482,352 3.506,353 3.97,354 1.277,355 14.37,356 3.421,357 4.385,358 3.609,359 7.197,360 4.066,361 3.092,362 3.775,363 0.86,364 11.79,365 3.01,366 4.245,367 3.361,368 6.74,369 3.946,370 2.971,371 3.435,372 0.86,373 10.841,374 2.885,375 3.982,376 3.206,377 6.27,378 3.868,379 2.899,380 3.207,381 0.86,382 9.465,383 2.808,384 3.872,385 3.028,386 5.995,387 3.499,388 2.541,389 2.988,391 8.453,392 2.414,393 3.317,394 2.827,395 5.825,396 3.045,397 2.052,398 2.433,400 6.917,401 2.029,402 3.27,403 2.536,404 5.25,405 2.911,406 1.959,407 2.354,409 5.936,410 1.85,411 2.933,412 2.186,413 5.074,414 2.806,415 1.826,416 2.058,418 5.255,419 1.768,420 2.919,421 2.16,422 4.772,423 2.529,424 1.613,425 1.945,427 4.488,428 1.489,429 2.839,430 1.934,431 4.461,432 2.519,433 1.568,434 1.847,436 4.179,437 1.461,438 2.613,439 1.701,440 4.31,441 2.29,442 1.327,443 1.6,445 3.793,446 1.262,447 1.883,448 1.254,449 4.23,450 1.71,451 0.786,452 0.788,454 2.044,455 0.717,456 1.794,457 1.133,458 3.91,459 1.562,460 0.665,461 0.783,463 1.257,464 0.59,465 1.535,466 1.041,467 3.437,468 1.405,469 0.44,470 0.453,472 1.082,473 0.419,474 17,475 0.459,476 1.405,477 0.038,478 36.75,479 0.993,480 13,481 0.351,482 23.75,483 0.642,484 51.264,485 1.386,486 43,487 0.606,488 35.057,489 0.947,490 6.703,491 0.181,492 10.735,493 0.29,494 0.245,495 0.088,496 0.353,501 0.851,502 1.213,503 0.817,504 1.183,505 0.804,506 1.022,507 0.892,508 0.952,509 0.75,510 0.926,511 0.703,512 0.821,513 0.909,514 1.217,515 0.942,516 1.201,517 0.822,518 1.1,519 0.872,520 1.12,521 0.994,522 1.122,523 0.933,524 1.095,525 0.966,526 1.042,527 1.014,528 1.044,529 1.086,530 1.042,531 1.079,532 0.891,533 0.916,534 0.878,535 1.268,536 0.858,537 1.4,538 0.812,539 1.135,540 0.81,541 1.493,542 0.889,543 1.243,544 1,545 1.079,546 0.991,547 1.381,548 0.992,549 11.5,550 0.33,551 7.778,552 5.625,553 5.129,554 2.75,555 1.542,556 0.99,557 0.661,558 0.441,559 17819,560 49054,561 2.001,562 47.9,563 9,564 14,567 3,568 1,569 7,572 1.784,573 1.783,574 3.509,575 0.782,582 100.523,583 1.416,584 3.658,585 4.98,586 5.449,587 5.59,588 5.618,589 3.113,590 4.79,591 5.176,592 3.689,593 2456.75,594 9.132,595 36453.9,600 436.632,601 1.858,602 5.076,603 0.28,604 0.011,605 0.118,606 0.067,607 0.061,608 0.039,609 0.024,610 0.018,611 0.015,612 0.012,613 0.645,614 0.33,615 0.75,616 0.945,617 198.017,618 -0.078,619 0.012,620 0.033,621 0.023,622 -0.102,623 0.051,624 -0.03,625 0.176,626 0.158,627 0.192,628 0.003,629 0.218,630 -0.024,631 -0.094,632 -0.032,633 -0.091,634 -0.015,635 -0.068,636 0.061,637 -0.094,638 -0.035,639 -0.098,640 0.064,641 -0.093,642 -0.047,643 -0.074,644 -0.033,645 -0.07,646 -0.058,647 -0.051,648 -0.025,649 0.031,650 0.11,651 0.048,652 -0.051,653 0.104,654 0.006,655 0.119,656 -0.057,657 0.102,658 0.019,659 0.022,660 -0.097,661 -0.019,662 -0.066,663 -0.019,664 -0.128,665 -0.032,666 2.559,667 7.083,668 0.649,669 38.932,670 1.014,671 1.126,672 1.601,673 2.565,674 0.634,675 3.738,676 4.205,677 4.605,678 4.949,679 5.263,680 5.509,681 5.694,682 5.903,683 6.122,684 6.277,685 6.946,686 0.611,687 514.62,688 3.738,689 5.371,690 6.301,691 7.266,692 8.216,693 9.189,694 10.146,695 11.124,696 12.086,697 13.068,715 3,720 3,722 6,739 2,741 71,743 10,744 1,745 41,747 75,748 28,749 6,750 3,751 3,752 6,756 5,757 11,763 4,764 2,766 2,767 5,768 3,770 5,772 12,773 16,774 3,777 4,782 2,784 1,786 5,793 34,794 9,795 3,796 9,808 0.4,809 9,810 1,811 2,829 5,833 3,841 1,846 1,849 3,850 1,857 3,858 1,859 2,864 5,868 37,875 3,876 4,878 4,880 4,882 3,893 12.7,894 3,896 2,897 1,898 3,901 20.75,902 14.017,903 7.958,904 4.157,907 1.802,908 1.199,909 0.862,910 6.364,911 10.846,912 3.892,913 4.483,914 5.039,915 5.551,916 6.02,917 6.378,918 6.712,919 7.056,920 7.444,921 7.79,922 1,923 84,924 14.101,926 6.693,927 0.026,929 7.998,931 26.093,933 23.181,936 2.498,937 92.417,941 364.904,942 133.42,945 222.339,948 133.42,949 587.244,951 48.242,952 7.604,953 165.955,954 84.101,955 49.858,957 364.904,959 364.904,960 133.42,961 222.339,964 282.506,965 165.687,966 139.05,968 34.079,969 79.378,970 19.963,972 364.904,973 222.339,974 133.42,977 364.904,978 47.273,979 86.147,981 222.339,982 364.904,983 222.339,984 133.42,986 0.613,987 0.401,988 0.217,989 0.116,990 36,991 18,992 0.053,993 4,994 3,995 1.25,996 4.17,997 411.689,998 0.25,999 24,1000 192.75,1005 26.389,1006 8.923,1007 3.642,1009 222.339,1010 5.034,1015 1.475,1017 128.05,1018 720.664,1019 48,1024 27.323,1026 1.501,1028 -1.207,1031 71.967,1032 79.943,1034 0.23,1035 0.595,1036 0.81,1037 0.886,1038 0.909,1039 0.913,1040 5.265,1041 1.959,1042 6.409,1043 6.917,1044 4.89,1045 5.17,1046 2.661,1047 7.448,1048 4.824,1049 6.528,1050 1.826,1051 8.132,1052 5.936,1053 4.977,1054 5.286,1056 9.05,1057 4.906,1058 7.921,1059 1.613,1060 9.973,1061 5.255,1062 6.79,1063 7.331,1064 3.232,1065 12.219,1066 6.687,1067 9.345,1068 1.568,1069 11.885,1070 4.488,1071 7.645,1072 8.163,1074 14.594,1075 7.538,1076 10.801,1077 1.327,1078 13.842,1079 4.179,1080 9.064,1081 9.797,1082 4.029,1083 17.444,1084 8.937,1085 12.277,1086 0.786,1087 15.831,1088 3.793,1089 10.207,1090 10.92,1092 20.081,1093 10.073,1094 13.77,1095 0.665,1096 17.844,1097 2.044,1098 11.532,1099 12.413,1100 4.946,1101 22.867,1102 11.384,1103 3.915,1104 0.44,1105 19.874,1106 1.257,1107 12.784,1108 13.667,1110 25.597,1111 12.628,1112 3.506,1113 16.653,1114 21.917,1115 1.082,1116 14.095,1117 15.104,1118 5.919,1119 28.377,1120 13.93,1121 3.092,1122 14.37,1123 23.972,1124 4.159,1125 15.393,1126 16.423,1128 31.144,1129 15.219,1130 2.971,1131 11.79,1132 26.035,1133 3.97,1134 16.712,1135 17.837,1136 6.919,1137 33.93,1138 16.529,1139 2.899,1140 10.841,1141 28.106,1142 3.775,1143 18.031,1144 19.19,1146 36.714,1147 17.84,1148 2.541,1149 9.465,1150 30.183,1151 3.435,1152 19.361,1153 20.595,1154 7.932,1155 39.506,1156 19.161,1157 2.052,1158 8.453,1159 32.264,1160 3.207,1161 20.694,1162 21.969,1164 42.299,1165 20.485,1166 17175,1167 28617,1168 25.66,1169 45.034,1170 64.205,1171 67.831,1172 71.009,1173 63.306,1174 63.504,1175 72.841,1176 11.064,1177 214.94,1178 61.017,1179 5.943,1180 6.162,1181 7.893,1182 6.005,1183 5.915,1184 7.159,1185 3.349,1186 26.176,1187 5.871,1188 25.187,1189 1.566,1190 1.654,1191 1.732,1192 1.544,1193 1.549,1194 1.777,1195 0.27,1196 5.242,1197 1.488,1198 4.111,1199 4.129,1200 4.055,1201 4.015,1202 7.445,1203 4.019,1204 3.95,1205 3.962,1206 3.898,1207 3.869,1208 7.413,1209 3.874,1210 3.811,1211 3.821,1212 3.759,1213 3.685,1214 6.466,1215 3.701,1216 3.603,1217 3.624,1218 3.518,1219 3.457,1220 6.448,1221 3.464,1222 3.453,1223 3.512,1224 3.307,1225 3.301,1226 6.439,1227 3.291,1228 3.302,1229 3.342,1230 3.195,1231 3.105,1232 4.955,1233 3.122,1234 3.247,1235 3.314,1236 3.064,1237 3.055,1238 4.754,1239 3.042,1240 3.242,1241 3.312,1242 3.051,1243 2.955,1244 4.497,1245 2.962,1246 0.121,1247 0.102,1248 0.203,1249 0.12,1250 0.095,1251 4.943,1252 0.101,1253 4.162,1254 0.041,1255 8.34,1256 0.406,1257 4.903,1258 0.094,1259 3.915,1260 4.159,1261 1.674,1262 16.653,1263 3.871,1264 2.045,1265 2.024,1266 2.179,1267 2.16,1268 1.637,1269 2.165,1270 1.918,1271 1.906,1272 1.999,1273 2.024,1274 1.224,1275 2.014,1276 1.755,1277 1.742,1278 1.892,1279 1.911,1280 1.113,1281 1.9,1282 1.554,1283 1.529,1284 1.736,1285 1.738,1286 1.039,1287 1.724,1288 1.455,1289 1.396,1290 1.699,1291 1.653,1292 0.853,1293 1.682,1294 1.25,1295 1.2,1296 1.588,1297 1.524,1298 0.782,1299 1.539,1300 1.234,1301 1.17,1302 1.576,1303 1.504,1304 0.699,1305 1.524,1306 1.191,1307 1.115,1308 1.556,1309 1.481,1310 0.574,1311 1.512,1312 4.419,1314 5.849,1316 7.505,1318 9.269,1320 11.093,1322 8.456,1327 32.407,1328 0.831,1330 22.61,1332 -3.072,1334 -2.942,1340 43.389,1341 100.523,1342 259.721,1343 353.573,1344 386.858,1345 396.858,1346 398.858,1347 128.157,1348 9.044,1349 135.66,1350 135.66,1351 30,1352 13.541,1353 3.459,1354 3,1355 56.667,1356 160,1357 178,1358 0.186,1359 257.863,1360 480.89,1361 620.947,1362 108466,1364 26.913,1365 0.727,1366 0.588,1367 26.913,1368 21.738,1369 17.439,1370 0.425,1371 0.306,1372 12.327,1373 16.562,1374 11.885,1375 9.755,1376 17.439,1377 12.55,1378 16.997,1379 0.258,1380 0.171,1381 16.997,1382 11.319,1383 15.944,1384 0.161,1385 0.095,1386 15.944,1387 9.426,1388 13.755,1389 0.098,1390 0.052,1391 13.755,1392 7.316,1393 11.109,1394 0.058,1395 0.028,1396 11.109,1397 5.365,1398 0.285,1399 111.459,1400 0.197,1401 32.676,1402 0.536,1403 214,1404 654.862,1405 238.911,1406 600.233,1407 804.78,1408 560,1409 272,1410 575.97,1411 298.466,1412 577.271,1413 866.27,1414 539,1415 4.237}
{0 CHEMBL248922,1 1.528,2 20.5,3 7.127,4 50.788,5 167.517,6 7.65,7 0.5,8 4.441,9 4.546,10 4.023,11 4.013,12 5.584,13 3.994,14 4.973,15 5.128,16 4.368,17 4.384,18 6.126,19 4.348,20 5.247,21 5.439,22 4.447,23 4.52,24 6.436,25 4.459,26 5.305,27 5.525,28 4.333,29 4.5,30 6.353,31 4.411,32 5.296,33 5.523,34 4.327,35 4.485,36 6.367,37 4.391,38 5.261,39 5.485,40 4.255,41 4.46,42 6.301,43 4.362,44 5.212,45 5.443,46 4.235,47 4.405,48 6.33,49 4.301,50 5.127,51 5.346,52 4.166,53 4.315,54 6.257,55 4.219,56 0.053,57 1.156,58 14.69,59 7.612,60 12.712,61 9.151,62 0.381,63 1.885,64 28.472,65 12.411,66 42.542,67 15.375,68 0.729,69 2.507,70 41.26,71 16.501,72 113.056,73 20.488,74 0.6,75 2.389,76 45.556,77 17.61,78 94.71,79 22.569,80 0.767,81 2.308,82 45.894,83 17.609,84 106.871,85 23.032,86 0.609,87 2.275,88 43.943,89 17.042,90 98.429,91 21.902,92 0.745,93 2.157,94 42.075,95 16.442,96 113.097,97 21.867,98 0.818,99 1.944,100 38.631,101 14.794,102 109.289,103 19.318,104 27,105 65,106 0.231,107 0.539,108 0.724,109 0.841,110 0.873,111 0.877,112 3.809,113 0.915,114 -6.97,115 -6.77,116 -6.27,121 46.2,122 1,123 2,127 5,137 1,138 1,144 15,145 5,146 4,160 2,176 22,179 1,180 10,183 1,185 1,187 24,192 13,195 1,197 1,200 19,206 12,211 1,214 12,218 2,219 12,224 4,227 15,232 6,237 3,239 18,243 1,244 6,249 1,251 19,255 2,256 7,259 1,261 1,264 17,269 4,274 1,277 14,281 5144,282 29.902,283 29.902,284 29.902,285 29.902,286 29.902,287 26.484,288 32.144,289 17.853,290 30.41,291 23.653,292 23.653,293 23.653,294 23.653,295 23.653,296 18.449,297 36.264,298 8.501,299 24.461,300 4.758,301 2.729,302 1.509,303 0.732,304 0.522,305 0.497,306 4.513,313 1942,314 4.528,318 812.611,322 242.905,325 3.591,326 53.962,329 0.5,330 0.5,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.51,337 96,338 902,339 4.478,340 3.726,341 6.536,342 4.1,343 3.118,344 4.089,345 1.907,346 10.314,347 3.061,348 4.216,349 3.579,350 6.089,351 3.785,352 2.831,353 3.87,354 1.674,355 8.871,356 2.719,357 4.148,358 3.296,359 5.951,360 3.76,361 2.783,362 3.754,363 0.995,364 8.325,365 2.701,366 3.953,367 3.08,368 5.662,369 3.653,370 2.685,371 3.458,372 0.86,373 7.924,374 2.6,375 3.839,376 3.016,377 5.354,378 3.447,379 2.456,380 3.279,381 0.359,382 6.991,383 2.434,384 3.684,385 2.735,386 5.266,387 3.404,388 2.409,389 2.902,390 0.149,391 6.7,392 2.378,393 3.548,394 2.654,395 5.246,396 3.197,397 2.263,398 2.84,400 6.547,401 2.102,402 3.465,403 2.57,404 5.025,405 3.104,406 2.13,407 2.725,409 5.9,410 2.047,411 3.347,412 2.51,413 4.975,414 3.028,415 2.068,416 2.519,418 5.775,419 1.969,420 3.186,421 2.191,422 4.822,423 2.829,424 1.85,425 2.308,427 5.319,428 1.793,429 2.996,430 2.1,431 4.514,432 2.561,433 1.58,434 2.15,436 4.536,437 1.543,438 2.82,439 1.823,440 4.042,441 2.407,442 1.415,443 1.949,445 3.526,446 1.403,447 2.818,448 1.707,449 3.667,450 2.364,451 1.414,452 1.925,454 3.022,455 1.333,456 2.512,457 1.513,458 3.604,459 2.353,460 1.409,461 1.5,463 3.007,464 1.311,465 2.5,466 1.181,467 3.582,468 2,469 1,470 1.5,472 2.321,473 1,474 20.705,475 0.471,476 0.971,477 0.022,478 56.75,479 1.29,480 29.5,481 0.67,482 27.25,483 0.619,484 39.519,485 0.898,486 47.095,487 0.604,488 49.99,489 1.136,490 11.654,491 0.265,492 9.718,493 0.221,494 0.084,496 0.309,499 2,501 0.628,502 1.032,503 0.733,504 1.052,505 0.528,506 0.945,507 0.741,508 0.981,509 0.864,510 1.014,511 0.551,512 0.971,513 0.926,514 0.962,515 0.991,516 1.036,517 0.789,518 1.028,519 0.945,520 0.931,521 1.019,522 1.033,523 0.875,524 1.04,525 0.789,526 0.839,527 0.922,528 0.954,529 0.802,530 0.965,531 0.935,532 0.883,533 1.032,534 0.998,535 0.94,536 1.028,537 0.636,538 0.843,539 0.895,540 1.005,541 0.57,542 1.012,543 0.757,544 0.775,545 0.96,546 0.968,547 0.699,548 1.01,549 9,550 0.243,551 4.222,552 2.313,553 2.484,554 1.111,555 1.031,556 0.563,557 0.393,558 0.386,559 42684,560 120549,561 2.084,562 43.6,563 2,564 26,567 1,568 2,569 3,572 1.816,573 1.97,574 4.274,575 -0.445,582 119.17,583 1.528,584 3.557,585 4.776,586 5.553,587 5.763,588 5.789,589 3.754,590 5.187,591 5.425,592 4.499,593 4256.21,594 9.574,595 89080.5,600 490.261,601 1.325,602 5.399,603 0.188,604 0.005,605 0.065,606 0.035,607 0.042,608 0.019,609 0.019,610 0.011,611 0.008,612 0.008,613 0.399,614 0.17,615 0.5,616 0.605,617 265.032,618 -0.017,619 -0.057,620 0.042,621 -0.025,622 -0.028,623 0.013,624 0.035,625 -0.024,626 0.005,627 -0.027,628 0.052,629 -0.017,630 0.021,631 0.016,632 -0.043,633 -0.052,634 0.069,635 -0.06,636 -0.079,637 -0.056,638 -0.05,639 -0.058,640 -0.052,641 -0.049,642 0.041,643 -0.002,644 0.052,645 0.022,646 0.013,647 0.037,648 -0.087,649 -0.006,650 -0.062,651 -0.018,652 -0.092,653 -0.029,654 0.136,655 0.003,656 0.072,657 -0.021,658 0.125,659 0.003,660 0.121,661 0.057,662 0.015,663 0.007,664 0.077,665 -0.015,666 2.593,667 5.799,668 0.636,669 82.76,670 1.007,671 1.123,672 5.74,673 32.951,674 0.675,675 3.892,676 4.19,677 4.419,678 4.635,679 4.89,680 4.913,681 5.05,682 5.176,683 5.288,684 5.342,685 11.707,686 0.649,687 596.72,688 3.892,689 5.425,690 6.256,691 7.112,692 7.959,693 8.82,694 9.674,695 10.538,696 11.398,697 12.266,698 2.6,701 1,705 1,715 15,720 9,722 24,739 1,740 2,741 78,743 27,744 4,745 48,747 82,748 36,749 24,750 9,751 15,752 3,756 5,757 6,763 1,770 2,772 28,773 8,777 3,782 2,784 1,786 3,791 2,793 34,794 8,795 1,796 8,802 2,808 0.8,809 4,829 5,833 1,843 1,846 1,849 1,850 1,855 1,859 4,864 1,866 2,868 44,876 7,877 1,878 2,881 1,892 2,893 5.1,896 2,898 2,901 22.333,902 14.236,903 9.778,904 4.823,907 4.386,908 1.495,909 0.988,910 10.554,911 13.243,912 4.159,913 4.718,914 5.234,915 5.744,916 6.302,917 6.448,918 6.796,919 7.16,920 7.512,921 7.768,922 0.929,923 67,924 16.397,926 7.038,927 0.026,929 7.909,931 30.903,933 25.154,936 2.409,937 106,941 388.446,942 238.268,943 21.135,945 72.29,946 29.92,948 238.268,949 460.736,950 51.055,951 8.825,952 36.095,953 151.62,954 62.186,955 72.966,956 29.92,957 388.446,959 388.446,960 259.403,961 102.21,964 383.053,965 107.603,968 48.045,969 201.882,970 9.476,972 418.367,973 93.425,974 238.268,977 388.446,978 77.823,979 163.569,980 18.011,981 102.21,982 388.446,983 123.345,984 238.268,986 0.575,987 0.33,988 0.169,989 0.097,990 28,991 13,992 0.159,993 13,994 1,995 1.071,996 5.555,997 421.256,998 0.071,999 28,1000 232.215,1005 31.124,1006 14.92,1007 8.634,1009 123.345,1010 27.152,1015 3.651,1017 18.011,1018 750.059,1019 63,1024 24.942,1026 1.802,1028 -0.164,1031 78.559,1032 87.572,1034 0.243,1035 0.566,1036 0.76,1037 0.883,1038 0.917,1039 0.921,1040 5.384,1041 2.13,1042 6.221,1043 6.547,1044 4.875,1045 5.407,1046 2.784,1047 6.974,1048 4.813,1049 6.572,1050 2.068,1051 7.745,1052 5.9,1053 4.369,1054 5.103,1055 1.668,1056 7.735,1057 4.271,1058 7.86,1059 1.85,1060 9.362,1061 5.775,1062 6.422,1063 7.526,1064 3.598,1065 10.798,1066 6.306,1067 9.178,1068 1.58,1069 11.035,1070 5.319,1071 6.711,1072 7.998,1073 3.063,1074 12.369,1075 6.559,1076 10.525,1077 1.415,1078 12.743,1079 4.536,1080 8.215,1081 9.905,1082 4.633,1083 14.942,1084 8.05,1085 11.892,1086 1.414,1087 14.476,1088 3.526,1089 8.889,1090 10.759,1091 4.419,1092 16.887,1093 8.691,1094 13.275,1095 1.409,1096 16.228,1097 3.022,1098 10.157,1099 12.428,1100 5.755,1101 19.283,1102 9.947,1103 3.118,1104 1,1105 17.994,1106 3.007,1107 11.034,1108 13.496,1109 5.752,1110 21.413,1111 10.793,1112 2.831,1113 10.314,1114 19.772,1115 2.321,1116 12.197,1117 15.037,1118 6.922,1119 23.745,1120 11.943,1121 2.783,1122 8.871,1123 21.56,1124 4.089,1125 13.18,1126 16.231,1127 7.069,1128 25.967,1129 12.899,1130 2.685,1131 8.325,1132 23.357,1133 3.87,1134 14.299,1135 17.7,1136 8.115,1137 28.28,1138 14.003,1139 2.456,1140 7.924,1141 25.163,1142 3.754,1143 15.338,1144 18.97,1145 8.375,1146 30.55,1147 15.02,1148 2.409,1149 6.991,1150 26.975,1151 3.458,1152 16.443,1153 20.4,1154 9.328,1155 32.861,1156 16.109,1157 2.263,1158 6.7,1159 28.793,1160 3.279,1161 17.514,1162 21.715,1163 9.674,1164 35.156,1165 17.16,1166 40138,1167 67878,1168 32.304,1169 52.648,1170 70.606,1171 73.391,1172 71.737,1173 70.071,1174 70.054,1175 90.962,1176 11.888,1177 194.25,1178 67.799,1179 5.419,1180 5.726,1181 6.338,1182 5.195,1183 5.118,1184 7.089,1185 3.581,1186 17.155,1187 5.061,1188 21.907,1189 1.471,1190 1.529,1191 1.495,1192 1.46,1193 1.459,1194 1.895,1195 0.248,1196 4.047,1197 1.412,1198 4.053,1199 4.072,1200 4.009,1201 3.981,1202 8.24,1203 3.984,1204 3.944,1205 3.969,1206 3.899,1207 3.866,1208 8.161,1209 3.867,1210 3.923,1211 3.955,1212 3.855,1213 3.849,1214 7.434,1215 3.846,1216 3.861,1217 3.885,1218 3.798,1219 3.801,1220 7.428,1221 3.798,1222 3.679,1223 3.729,1224 3.591,1225 3.472,1226 4.912,1227 3.491,1228 3.595,1229 3.662,1230 3.491,1231 3.428,1232 4.762,1233 3.434,1234 3.472,1235 3.502,1236 3.374,1237 3.307,1238 4.712,1239 3.313,1240 3.365,1241 3.415,1242 3.23,1243 3.208,1244 4.545,1245 3.202,1246 0.093,1247 0.078,1248 0.136,1249 0.085,1250 0.065,1251 4.478,1252 0.085,1253 3.726,1254 0.04,1255 6.536,1256 0.215,1257 4.1,1258 0.064,1259 3.118,1260 4.089,1261 1.907,1262 10.314,1263 3.061,1264 1.994,1265 1.98,1266 2.086,1267 2.081,1268 1.264,1269 2.081,1270 1.918,1271 1.888,1272 2.04,1273 2.022,1274 1.235,1275 2.027,1276 1.91,1277 1.885,1278 2.022,1279 2.013,1280 1.171,1281 2.016,1282 1.858,1283 1.837,1284 1.966,1285 1.946,1286 1.092,1287 1.956,1288 1.604,1289 1.553,1290 1.836,1291 1.839,1292 1.018,1293 1.829,1294 1.574,1295 1.508,1296 1.799,1297 1.775,1298 0.982,1299 1.795,1300 1.425,1301 1.388,1302 1.655,1303 1.629,1304 0.855,1305 1.633,1306 1.355,1307 1.3,1308 1.56,1309 1.524,1310 0.737,1311 1.534,1312 4.575,1314 5.878,1316 7.368,1318 8.945,1320 10.568,1322 2.147,1324 26.412,1328 3.535,1329 2.762,1330 11.402,1333 2.359,1340 50.624,1341 119.17,1342 277.416,1343 372.539,1344 433.142,1345 449.506,1346 451.506,1347 109.077,1348 8.857,1349 71.78,1350 71.78,1351 30,1352 12.812,1353 4.807,1354 4,1355 74.602,1356 306,1357 316,1358 0.113,1359 307.187,1360 555.66,1361 741.296,1362 122761,1363 2.6,1364 30.89,1365 0.702,1366 0.557,1367 29.15,1368 24.523,1369 21.373,1370 0.445,1371 0.305,1372 14.455,1373 20.582,1374 14.146,1375 11.697,1376 20.568,1377 14.646,1378 18.943,1379 0.291,1380 0.163,1381 17.813,1382 10.58,1383 15.695,1384 0.191,1385 0.09,1386 14.713,1387 7.389,1388 12.335,1389 0.121,1390 0.049,1391 11.89,1392 4.962,1393 10.47,1394 0.079,1395 0.026,1396 10.05,1397 3.483,1398 0.188,1399 133.913,1400 0.176,1401 40.307,1402 0.282,1403 226,1404 777.142,1405 249.753,1406 694.151,1407 922.98,1408 648,1409 260,1410 654.469,1411 282.837,1412 650.191,1413 947.45,1414 612,1415 5.558}
{0 CHEMBL251076,1 1.479,2 6.5,3 0.611,4 0.373,5 83.512,6 7.056,7 0.24,8 3.889,9 3.989,10 3.412,11 3.374,12 4.923,13 3.365,14 4.492,15 4.649,16 3.852,17 3.849,18 5.462,19 3.832,20 4.825,21 4.98,22 4.099,23 4.14,24 5.848,25 4.096,26 5.046,27 5.25,28 4.127,29 4.212,30 6.055,31 4.14,32 5.011,33 5.225,34 3.862,35 4.096,36 5.96,37 3.991,38 4.854,39 5.101,40 3.572,41 3.849,42 5.847,43 3.703,44 4.628,45 4.902,46 3.071,47 3.462,48 5.593,49 3.28,50 4.311,51 4.65,52 2.117,53 2.943,54 5.106,55 2.662,56 0.062,57 0.593,58 9.978,59 4.373,60 14.132,61 5.525,62 0.259,63 1.019,64 19.698,65 7.349,66 27.078,67 9.576,68 0.417,69 1.379,70 27.54,71 10.862,72 44.989,73 14.144,74 0.59,75 1.607,76 35.946,77 12.87,78 65.931,79 17.523,80 0.634,81 1.493,82 35.574,83 11.901,84 64.231,85 16.205,86 0.636,87 1.229,88 30.879,89 10.218,90 71.711,91 14.531,92 0.587,93 0.9,94 25.644,95 7.64,96 59.941,97 11.05,98 0.424,99 0.606,100 19.557,101 5.138,102 47.129,103 7.963,104 18,105 39,106 0.262,107 0.621,108 0.865,109 0.898,110 0.898,111 0.898,112 3.151,113 0.92,114 -2.37,115 -2.41,116 -2.36,121 39.5,123 1,125 1,126 2,127 2,129 3,137 2,144 2,145 2,146 2,176 6,180 5,185 3,187 7,191 1,192 8,195 1,197 3,200 6,206 6,209 2,211 4,214 4,218 1,219 4,224 2,227 4,231 1,232 1,235 1,236 1,237 2,239 1,247 2,249 2,281 514,282 14.805,283 14.805,284 14.805,285 14.805,286 14.805,287 13.961,288 23.361,289 8.224,290 15.244,291 12.238,292 12.238,293 12.238,294 12.238,295 12.238,296 10.778,297 34.215,298 3.761,299 12.894,300 3.947,301 1.921,302 0.547,303 0.361,304 0.361,305 0.361,306 3.844,311 1,312 1,313 312,314 2.828,317 21.82,318 63.261,319 35.707,321 89.731,322 49.597,323 58.374,324 63.894,325 0.818,326 27.441,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 48.5,338 143,339 4.918,340 4.135,341 8.296,342 4.781,343 3.799,344 4.371,345 0.916,346 16.525,347 3.731,348 4.137,349 3.134,350 6.554,351 3.808,352 2.844,353 3.469,354 0.86,355 10.066,356 2.741,357 3.685,358 2.935,359 5.82,360 3.471,361 2.536,362 2.942,363 0.86,364 7.846,365 2.363,366 3.385,367 2.742,368 5.498,369 3.233,370 2.28,371 2.447,372 0.765,373 6.617,374 2.165,375 3.282,376 2.481,377 5.238,378 3.082,379 2.141,380 2.353,381 0.68,382 6.347,383 2.002,384 2.976,385 2.336,386 4.883,387 2.712,388 1.8,389 2.044,390 0.172,391 5.175,392 1.632,393 2.796,394 1.804,395 4.641,396 2.453,397 1.485,398 1.818,400 4.392,401 1.432,402 2.415,403 1.678,404 4.375,405 2.176,406 1.243,407 1.359,409 3.362,410 1.151,411 1.973,412 1.153,413 3.795,414 1.63,415 0.732,416 0.854,418 1.651,419 0.65,420 1.709,421 0.903,422 3.159,423 1.406,424 0.472,425 0.555,427 1.041,428 0.436,429 1.133,430 0.412,431 2.981,432 0.911,433 -0.018,434 -0.02,436 -0.038,437 -0.017,438 0.959,439 0.18,440 2.85,441 0.697,442 -0.219,443 -0.244,445 -0.538,446 -0.199,447 0.543,448 -0.095,449 2.743,450 0.345,451 -0.554,452 -0.571,454 -1.298,455 -0.491,456 0.521,457 -0.214,458 2.392,459 0.279,460 -0.666,461 -0.719,463 -1.859,464 -0.617,465 0.318,466 -0.444,467 2.28,468 0.107,469 -0.827,470 -0.944,472 -2.254,473 -0.77,474 10.233,475 0.465,476 0.7,477 0.032,478 22.75,479 1.034,480 8,481 0.364,482 14.75,483 0.67,484 22.233,485 1.011,486 25.167,487 0.585,488 17.014,489 0.773,490 4.41,491 0.2,492 6.148,493 0.279,494 0.163,495 0.049,496 0.381,501 0.942,502 1.312,503 0.839,504 1.156,505 1.006,506 1.004,507 1.145,508 0.899,509 0.891,510 0.85,511 0.882,512 0.806,513 0.936,514 1.143,515 0.954,516 1.122,517 0.973,518 1.057,519 0.886,520 1.121,521 0.921,522 1.095,523 0.857,524 1.028,525 1.239,526 1.09,527 1.208,528 1.098,529 1.176,530 1.142,531 0.82,532 1.1,533 1.069,534 1.153,535 0.745,536 1.163,537 1.077,538 0.971,539 1.122,540 1.013,541 1.119,542 1.073,543 1.128,544 0.615,545 1.031,546 0.668,547 1.267,548 0.8,549 6,551 3.556,552 3.042,553 2.382,554 1.185,555 0.586,556 0.285,559 3894,560 9777,561 2.109,562 48.8,564 17,567 2,570 2,572 1.659,573 1.927,574 2.677,575 0.304,577 1,579 1,582 63.604,583 1.479,584 3.505,585 4.88,586 5.066,587 5.066,588 5.066,589 1.878,590 4.061,591 4.431,592 2.76,593 637.593,594 7.687,595 6541.29,597 1,600 233.329,601 1.708,602 4.363,603 0.24,605 0.091,606 0.063,607 0.051,608 0.035,609 0.025,610 0.024,613 0.529,614 0.5,615 1,616 0.853,617 95.242,618 -0.085,619 -0.091,620 0.051,621 0.002,622 -0.15,623 0.044,624 -0.16,625 0.258,626 0.054,627 0.206,628 -0.08,629 0.188,630 0.013,631 -0.045,632 -0.021,633 -0.043,634 -0.037,635 -0.041,636 0.064,637 -0.109,638 0.038,639 -0.082,640 0.061,641 -0.035,642 -0.163,643 -0.106,644 -0.223,645 -0.123,646 -0.159,647 -0.179,648 0.114,649 -0.164,650 -0.093,651 -0.2,652 0.146,653 -0.191,654 0.01,655 -0.114,656 -0.101,657 -0.119,658 0.012,659 -0.134,660 -0.125,661 0.167,662 0.014,663 0.147,664 -0.086,665 0.118,666 1.916,667 4.94,668 0.773,669 12.248,670 1.006,671 1.128,672 1.143,673 1.308,674 0.638,675 3.258,676 3.689,677 4.094,678 4.5,679 4.844,680 5.094,681 5.247,682 5.375,683 5.384,684 5.416,685 4.068,686 0.608,687 303.39,688 3.258,689 4.86,690 5.784,691 6.744,692 7.698,693 8.669,694 9.635,695 10.609,696 11.579,697 12.554,698 2.3,701 1,715 2,720 4,722 6,739 2,741 43,743 7,744 1,745 25,747 46,748 17,749 6,750 4,751 2,756 4,757 12,764 1,766 1,767 4,770 4,772 8,773 9,777 1,784 2,789 1,790 1,793 21,794 5,795 2,796 5,802 1,808 0.25,809 4,811 2,828 1,829 2,830 1,832 2,833 1,834 1,835 1,849 2,855 1,857 2,859 1,864 2,868 22,875 2,876 3,878 2,880 3,881 1,882 1,893 9.3,894 2,898 2,901 11.417,902 8.017,903 4.708,904 2.464,907 1.595,908 1.208,909 0.894,910 3.187,911 9.275,912 3.401,913 3.98,914 4.582,915 5.181,916 5.726,917 6.081,918 6.404,919 6.716,920 6.866,921 7.075,922 0.6,923 48,924 8.25,926 3.767,927 0.026,929 7.746,931 15.876,933 14.167,936 2.246,937 49.417,941 223.651,942 80.788,943 3.124,945 107.366,948 80.788,949 331.017,950 3.124,951 19.279,952 6.746,953 123.272,955 41.982,957 223.651,959 223.651,960 83.913,961 107.366,964 200.109,965 45.542,966 85.367,968 9.87,969 55.09,970 18.952,972 223.651,973 110.491,974 80.788,977 223.651,978 23.604,979 60.309,981 107.366,982 223.651,983 110.491,984 80.788,986 0.602,987 0.378,988 0.227,989 0.137,990 23,991 10,992 0.022,993 1,994 4,995 1.412,996 3.134,997 202.989,998 0.471,999 16,1000 98.107,1005 14.364,1006 4.881,1007 1.875,1009 110.491,1010 3.976,1015 3.584,1017 85.367,1018 414.93,1019 29,1026 3.733,1031 43.247,1032 48.488,1034 0.273,1035 0.646,1036 0.899,1037 0.934,1038 0.934,1039 0.934,1040 4.741,1041 1.243,1042 5.849,1043 4.392,1044 4.369,1045 4.663,1046 2.022,1047 6.855,1048 4.277,1049 5.964,1050 0.732,1051 7.535,1052 3.362,1053 4.29,1054 4.635,1055 0.325,1056 8.393,1057 4.18,1058 7.322,1059 0.472,1060 9.343,1061 1.651,1062 6.18,1063 6.807,1064 1.659,1065 11.612,1066 6.041,1067 8.72,1068 -0.018,1069 11.232,1070 1.041,1071 6.938,1072 7.601,1073 0.393,1074 14.054,1075 6.796,1076 10.161,1077 -0.219,1078 13.179,1079 -0.038,1080 8.399,1081 9.327,1082 1.366,1083 16.941,1084 8.24,1085 11.634,1086 -0.554,1087 15.17,1088 -0.538,1089 9.512,1090 10.49,1091 0.384,1092 19.652,1093 9.35,1094 13.131,1095 -0.666,1096 17.193,1097 -1.298,1098 10.858,1099 12.056,1100 1.122,1101 22.472,1102 10.682,1103 3.799,1104 -0.827,1105 19.241,1106 -1.859,1107 12.109,1108 13.386,1109 0.351,1110 25.252,1111 11.924,1112 2.844,1113 16.525,1114 21.307,1115 -2.254,1116 13.433,1117 14.892,1118 0.919,1119 28.059,1120 13.235,1121 2.536,1122 10.066,1123 23.386,1124 4.371,1125 14.735,1126 16.297,1127 0.312,1128 30.857,1129 14.524,1130 2.28,1131 7.846,1132 25.474,1133 3.469,1134 16.059,1135 17.781,1136 0.75,1137 33.662,1138 15.833,1139 2.141,1140 6.617,1141 27.569,1142 2.942,1143 17.379,1144 19.221,1145 0.273,1146 36.465,1147 17.138,1148 1.8,1149 6.347,1150 29.67,1151 2.447,1152 18.707,1153 20.697,1154 0.61,1155 39.27,1156 18.451,1157 1.485,1158 5.175,1159 31.774,1160 2.353,1161 20.035,1162 22.153,1163 0.236,1164 42.074,1165 19.762,1166 3817,1167 6090,1168 16.414,1169 27.438,1170 39.35,1171 39.436,1172 42.118,1173 38.703,1174 38.666,1175 44.422,1176 8.507,1177 126.044,1178 36.607,1179 5.88,1180 6.135,1181 7.838,1182 5.869,1183 5.799,1184 7.371,1185 1.776,1186 25.068,1187 5.731,1188 11.117,1189 1.574,1190 1.577,1191 1.685,1192 1.548,1193 1.547,1194 1.777,1195 0.34,1196 5.042,1197 1.464,1198 4.104,1199 4.121,1200 4.06,1201 4.02,1202 6.454,1203 4.026,1204 3.728,1205 3.762,1206 3.644,1207 3.632,1208 6.445,1209 3.63,1210 3.6,1211 3.661,1212 3.484,1213 3.386,1214 4.933,1215 3.399,1216 3.286,1217 3.332,1218 3.16,1219 3.087,1220 4.525,1221 3.096,1222 3.24,1223 3.307,1224 3.062,1225 2.973,1226 4.311,1227 2.98,1228 3.103,1229 3.156,1230 2.952,1231 2.925,1232 4.179,1233 2.919,1234 2.936,1235 3.002,1236 2.756,1237 2.746,1238 4.072,1239 2.734,1240 2.882,1241 2.977,1242 2.636,1243 2.691,1244 3.509,1245 2.665,1246 0.197,1247 0.165,1248 0.332,1249 0.191,1250 0.152,1251 4.918,1252 0.175,1253 4.135,1254 0.037,1255 8.296,1256 0.661,1257 4.781,1258 0.149,1259 3.799,1260 4.371,1261 0.916,1262 16.525,1263 3.731,1264 1.942,1265 1.925,1266 2.04,1267 2.02,1268 1.407,1269 2.026,1270 1.812,1271 1.783,1272 1.953,1273 1.969,1274 1.182,1275 1.965,1276 1.559,1277 1.495,1278 1.786,1279 1.799,1280 1.038,1281 1.797,1282 1.276,1283 1.229,1284 1.582,1285 1.549,1286 0.692,1287 1.556,1288 1.14,1289 1.054,1290 1.498,1291 1.426,1292 0.569,1293 1.45,1294 1.091,1295 1.038,1296 1.364,1297 1.307,1298 0.512,1299 1.323,1300 0.934,1301 0.837,1302 1.309,1303 1.185,1304 0.463,1305 1.233,1306 0.799,1307 0.742,1308 1.114,1309 1.083,1310 0.404,1311 1.09,1312 3.932,1314 5.333,1315 2.398,1316 6.948,1317 5.043,1318 8.672,1319 7.434,1320 10.46,1322 3.634,1327 20.917,1328 1.808,1330 11.619,1332 -1.382,1333 2.121,1334 -0.594,1340 26.149,1341 63.604,1342 150.726,1343 209.82,1344 217.82,1345 217.82,1346 217.82,1347 41.986,1348 7.68,1349 62.16,1350 62.16,1351 24,1352 13.028,1353 3,1354 2.322,1355 29.404,1356 54,1357 57,1358 0.291,1359 155.336,1360 277.92,1361 370.781,1362 19699,1364 15.483,1365 0.704,1366 0.583,1367 15.483,1368 12.821,1369 10.558,1370 0.422,1371 0.307,1372 7.527,1373 10.051,1374 7.318,1375 5.978,1376 10.558,1377 7.67,1378 10.098,1379 0.259,1380 0.168,1381 10.098,1382 6.545,1383 9.08,1384 0.154,1385 0.088,1386 9.08,1387 5.18,1388 8.432,1389 0.095,1390 0.047,1391 8.432,1392 4.185,1393 7.29,1394 0.058,1395 0.026,1396 7.29,1397 3.252,1398 0.415,1399 67.13,1400 0.247,1401 20.294,1402 0.956,1403 128,1404 347.416,1405 141.042,1406 322.414,1407 442.26,1408 304,1409 162,1410 321.215,1411 176.956,1412 324.424,1413 491.2,1414 304,1415 5.045}
{0 CHEMBL251077,1 1.534,2 7.208,3 1.093,4 1.194,5 85.333,6 7.66,7 0.214,8 3.918,9 4.003,10 3.52,11 3.419,12 4.96,13 3.431,14 4.544,15 4.678,16 3.971,17 3.891,18 5.623,19 3.89,20 4.805,21 4.964,22 4.018,23 4.094,24 5.799,25 4.044,26 4.916,27 5.112,28 4.035,29 4.151,30 5.816,31 4.078,32 4.964,33 5.171,34 4.037,35 4.077,36 6.048,37 4.016,38 4.891,39 5.09,40 3.865,41 3.919,42 5.969,43 3.863,44 4.687,45 4.913,46 3.636,47 3.645,48 5.756,49 3.588,50 4.363,51 4.566,52 3,53 3.217,54 5.529,55 3.111,56 0.096,57 0.598,58 8.811,59 4.373,60 11.251,61 5.09,62 0.523,63 1.058,64 19.119,65 7.484,66 39.079,67 9.098,68 0.581,69 1.339,70 25.646,71 10.225,72 55.063,73 12.704,74 0.504,75 1.481,76 29.594,77 11.72,78 45.938,79 15.356,80 0.738,81 1.458,82 32.853,83 11.736,84 83.229,85 15.472,86 0.939,87 1.282,88 31.798,89 10.234,90 77.91,91 12.946,92 0.725,93 1.028,94 26.526,95 8.273,96 58.172,97 11,98 0.736,99 0.683,100 19.658,101 5.83,102 70.731,103 7.218,104 12,105 43,106 0.269,107 0.65,108 0.867,109 0.875,110 0.892,111 0.9,112 3.232,113 0.894,114 -2.97,115 -2.97,116 -2.87,121 41.9,122 1,123 1,124 1,127 2,128 1,129 3,137 1,138 1,144 2,145 2,146 2,160 1,176 6,179 2,180 9,185 1,187 6,192 9,195 1,197 2,200 5,205 1,206 8,211 2,214 6,218 1,219 5,222 2,224 3,227 7,231 3,232 5,237 1,239 4,243 1,244 6,247 1,251 2,255 1,256 2,259 1,268 1,269 1,281 724,282 16.326,283 16.326,284 16.326,285 16.326,286 16.326,287 15.211,288 25.502,289 9.276,290 16.683,291 13.875,292 13.875,293 13.875,294 13.875,295 13.875,296 11.984,297 34.599,298 4.447,299 14.478,300 3.893,301 1.724,302 0.483,303 0.436,304 0.343,305 0.297,306 3.944,311 1,312 1,313 391,314 3,317 61.364,318 94.187,321 150.818,322 104.85,323 61.418,325 0.993,326 31.375,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 53.5,338 173,339 4.582,340 3.793,341 7.168,342 4.393,343 3.419,344 4.136,345 2.443,346 12.616,347 3.331,348 4.253,349 3.605,350 6.35,351 3.916,352 2.957,353 3.556,354 1.392,355 9.734,356 2.836,357 3.793,358 3.324,359 6.176,360 3.615,361 2.68,362 3.118,363 1.058,364 9.007,365 2.5,366 3.742,367 3.008,368 5.922,369 3.459,370 2.49,371 2.842,372 0.765,373 8.217,374 2.393,375 3.409,376 2.906,377 5.26,378 3.089,379 2.109,380 2.507,381 0.671,382 6.204,383 2.04,384 3.183,385 2.367,386 5.126,387 2.929,388 1.956,389 2.311,390 0.532,391 5.943,392 1.898,393 3.044,394 2.188,395 4.622,396 2.734,397 1.765,398 2.105,399 0.286,400 4.893,401 1.699,402 2.67,403 1.979,404 4.536,405 2.44,406 1.5,407 1.683,408 0.155,409 4.473,410 1.401,411 2.206,412 1.736,413 3.828,414 2.103,415 1.106,416 1.187,418 2.516,419 1.102,420 2.001,421 1.56,422 3.759,423 1.939,424 0.971,425 0.986,427 2.455,428 0.934,429 1.868,430 1.249,431 3.462,432 1.668,433 0.747,434 0.805,436 2.118,437 0.679,438 1.391,439 0.717,440 3.202,441 1.131,442 0.2,443 0.223,445 0.533,446 0.184,447 1.041,448 0.433,449 2.966,450 0.778,451 -0.181,452 -0.203,454 -0.569,455 -0.172,456 0.866,457 0.193,458 2.639,459 0.599,460 -0.359,461 -0.411,463 -0.989,464 -0.342,465 0.646,466 0.121,467 2.583,468 0.251,469 -0.708,470 -0.809,472 -2,473 -0.665,474 11.067,475 0.461,476 0.73,477 0.03,478 26.25,479 1.094,480 9.5,481 0.396,482 16.75,483 0.698,484 23.384,485 0.974,486 26.733,487 0.622,488 18.718,489 0.78,490 5.04,491 0.21,492 6.575,493 0.274,494 0.105,496 0.488,501 0.831,502 1.302,503 0.724,504 1.15,505 0.728,506 0.952,507 0.93,508 0.995,509 0.857,510 0.899,511 0.616,512 0.854,513 0.954,514 1.102,515 1.065,516 1.074,517 0.887,518 1.091,519 0.735,520 1.123,521 0.943,522 1.128,523 0.696,524 1.095,525 0.847,526 1.056,527 0.906,528 1.071,529 0.93,530 1.017,531 1.279,532 0.949,533 1.132,534 0.96,535 1.37,536 1.006,537 1.051,538 0.938,539 0.958,540 0.98,541 1.105,542 0.945,543 1.555,544 0.997,545 1.488,546 1.086,547 1.78,548 1.247,549 5,551 2.667,552 1.917,553 2.221,554 1.014,555 0.812,556 0.418,557 0.149,558 0.049,559 5702,560 15537,561 2.209,562 44.2,564 10,565 2,567 1,568 3,569 2,570 1,572 1.68,573 2.057,574 2.869,575 -0.301,576 1,577 1,579 1,582 65.95,583 1.534,584 3.703,585 4.944,586 4.99,587 5.083,588 5.13,589 2.22,590 4.418,591 4.559,592 2.978,593 821.871,594 7.923,595 9048.48,597 1,600 233.329,601 1.417,602 4.516,603 0.179,605 0.062,606 0.044,607 0.05,608 0.024,609 0.024,610 0.016,611 0.014,612 0.012,613 0.425,614 0.5,615 0.88,616 0.948,617 108.897,618 -0.066,619 -0.136,620 0.069,621 -0.048,622 -0.075,623 0.027,624 0.016,625 0.122,626 0.034,627 0.118,628 0.073,629 0.093,630 -0.093,631 -0.045,632 -0.169,633 -0.049,634 -0.076,635 -0.114,636 -0.015,637 -0.1,638 -0.036,639 -0.11,640 -0.031,641 -0.084,642 0.055,643 -0.086,644 0.065,645 -0.091,646 0.091,647 -0.026,648 -0.101,649 -0.01,650 -0.106,651 -0.015,652 -0.144,653 -0.058,654 0.042,655 -0.017,656 0.085,657 -0.051,658 0.009,659 0.02,660 -0.14,661 -0.137,662 -0.402,663 -0.172,664 -0.152,665 -0.325,666 2.11,667 4.598,668 0.792,669 15.181,670 1.016,671 1.123,672 1.741,673 3.032,674 0.654,675 3.367,676 3.784,677 4.159,678 4.575,679 4.913,680 5.159,681 5.429,682 5.666,683 5.799,684 5.897,685 4.614,686 0.636,687 329.38,688 3.367,689 4.963,690 5.872,691 6.815,692 7.749,693 8.698,694 9.642,695 10.593,696 11.542,697 12.495,698 2.3,701 1,715 2,720 4,722 6,739 2,741 43,743 8,744 1,745 28,747 47,748 18,749 6,750 4,751 2,756 5,757 18,763 1,767 4,768 1,770 4,772 9,773 9,774 1,777 2,782 1,784 1,786 2,789 1,790 1,793 19,794 6,795 1,796 6,802 1,808 0.2,809 5,811 1,828 2,829 3,832 3,833 2,834 1,846 1,849 1,850 1,855 1,857 1,859 1,864 1,868 24,875 1,876 4,878 3,880 4,881 1,893 11.6,894 1,896 1,898 3,901 11.667,902 7.9,903 4.972,904 2.625,907 1.755,908 1.211,909 0.962,910 3.208,911 10.071,912 3.526,913 4.103,914 4.627,915 5.203,916 5.748,917 6.111,918 6.518,919 6.904,920 7.189,921 7.43,922 0.8,923 44,924 8.994,926 4.148,927 0.026,929 7.785,931 17.303,933 15.613,936 2.285,937 54.833,941 211.88,942 77.885,943 3.124,945 100.828,948 77.885,949 312.708,950 3.124,951 8.825,952 13.396,953 71.112,954 32.336,955 56.168,956 23.542,957 188.338,959 211.88,960 81.009,961 100.828,964 176.567,965 93.458,966 42.683,968 25.346,969 46.187,970 9.476,972 211.88,973 103.952,974 77.885,977 211.88,978 40.631,979 40.378,981 100.828,982 211.88,983 103.952,984 77.885,986 0.601,987 0.355,988 0.214,989 0.128,990 26,991 11,992 0.043,993 2,994 5,995 1.474,996 3.474,997 229.17,998 0.526,999 18,1000 110.039,1005 14.757,1006 5.217,1007 2.152,1009 103.952,1010 4.033,1015 3.751,1017 42.683,1018 393.717,1019 33,1024 11.598,1026 1.882,1028 0.882,1031 43.691,1032 48.282,1034 0.283,1035 0.682,1036 0.911,1037 0.92,1038 0.937,1039 0.945,1040 4.856,1041 1.5,1042 5.9,1043 4.893,1044 4.466,1045 4.787,1046 2.977,1047 6.817,1048 4.385,1049 6.055,1050 1.106,1051 7.517,1052 4.473,1053 4.205,1054 4.691,1055 2.283,1056 7.879,1057 4.09,1058 7.382,1059 0.971,1060 9.232,1061 2.516,1062 6.155,1063 6.864,1064 4.048,1065 11.064,1066 6.002,1067 8.736,1068 0.747,1069 11.005,1070 2.455,1071 6.698,1072 7.545,1073 4.278,1074 12.967,1075 6.513,1076 10.122,1077 0.2,1078 12.816,1079 2.118,1080 8.152,1081 9.258,1082 5.555,1083 15.689,1084 7.939,1085 11.529,1086 -0.181,1087 14.654,1088 0.533,1089 9.061,1090 10.294,1091 6.16,1092 17.953,1093 8.818,1094 12.953,1095 -0.359,1096 16.511,1097 -0.569,1098 10.338,1099 11.833,1100 7.231,1101 20.528,1102 10.073,1103 3.419,1104 -0.708,1105 18.385,1106 -0.989,1107 11.412,1108 13.046,1109 7.993,1110 22.947,1111 11.122,1112 2.957,1113 12.616,1114 20.272,1115 -2,1116 12.632,1117 14.512,1118 8.97,1119 25.481,1120 12.32,1121 2.68,1122 9.734,1123 22.17,1124 4.136,1125 13.78,1126 15.816,1127 9.802,1128 27.964,1129 13.446,1130 2.49,1131 9.007,1132 24.077,1133 3.556,1134 14.986,1135 17.251,1136 10.736,1137 30.491,1138 14.63,1139 2.109,1140 8.217,1141 25.991,1142 3.118,1143 16.169,1144 18.604,1145 11.599,1146 33.001,1147 15.791,1148 1.956,1149 6.204,1150 27.913,1151 2.842,1152 17.376,1153 20.025,1154 12.513,1155 35.529,1156 16.976,1157 1.765,1158 5.943,1159 29.841,1160 2.507,1161 18.577,1162 21.405,1163 13.391,1164 38.052,1165 18.155,1166 5296,1167 8811,1168 19.016,1169 28.131,1170 43.998,1171 45.119,1172 45.107,1173 43.773,1174 43.799,1175 50.922,1176 14.601,1177 137.42,1178 41.996,1179 5.556,1180 5.793,1181 6.667,1182 5.443,1183 5.419,1184 7.136,1185 4.174,1186 20.232,1187 5.331,1188 10.373,1189 1.571,1190 1.611,1191 1.611,1192 1.563,1193 1.564,1194 1.819,1195 0.521,1196 4.908,1197 1.5,1198 4.107,1199 4.134,1200 4.052,1201 4.015,1202 7.433,1203 4.02,1204 3.835,1205 3.849,1206 3.778,1207 3.72,1208 6.45,1209 3.728,1210 3.587,1211 3.615,1212 3.499,1213 3.354,1214 5,1215 3.378,1216 3.404,1217 3.449,1218 3.301,1219 3.192,1220 4.571,1221 3.209,1222 3.362,1223 3.397,1224 3.239,1225 3.165,1226 4.309,1227 3.179,1228 3.005,1229 3.058,1230 2.87,1231 2.858,1232 4.203,1233 2.851,1234 2.951,1235 3.025,1236 2.784,1237 2.736,1238 3.975,1239 2.739,1240 2.769,1241 2.843,1242 2.567,1243 2.569,1244 3.755,1245 2.557,1246 0.164,1247 0.135,1248 0.256,1249 0.157,1250 0.122,1251 4.582,1252 0.148,1253 3.793,1254 0.087,1255 7.168,1256 0.451,1257 4.393,1258 0.119,1259 3.419,1260 4.136,1261 2.443,1262 12.616,1263 3.331,1264 1.999,1265 1.978,1266 2.091,1267 2.098,1268 1.458,1269 2.096,1270 1.743,1271 1.719,1272 1.891,1273 1.873,1274 1.18,1275 1.877,1276 1.488,1277 1.435,1278 1.71,1279 1.705,1280 0.953,1281 1.705,1282 1.412,1283 1.368,1284 1.662,1285 1.657,1286 0.737,1287 1.655,1288 1.194,1289 1.152,1290 1.452,1291 1.521,1292 0.68,1293 1.489,1294 1.135,1295 1.087,1296 1.412,1297 1.398,1298 0.58,1299 1.407,1300 0.983,1301 0.934,1302 1.245,1303 1.201,1304 0.51,1305 1.215,1306 0.884,1307 0.828,1308 1.161,1309 1.1,1310 0.406,1311 1.123,1312 4.043,1314 5.434,1315 3.045,1316 7.02,1317 5.352,1318 8.714,1319 7.424,1320 10.472,1322 1.391,1327 10.568,1328 2.983,1330 16.583,1332 -1.243,1333 2.406,1340 27.337,1341 65.95,1342 159.216,1343 212.574,1344 214.574,1345 218.574,1346 220.574,1347 38.359,1348 8.316,1349 68.23,1350 68.23,1351 28,1352 12.983,1353 3.17,1354 2.585,1355 29.957,1356 65,1357 64,1358 0.231,1359 158.604,1360 289.01,1361 378.754,1362 44835,1364 16.422,1365 0.684,1366 0.558,1367 16.422,1368 13.397,1369 11.614,1370 0.415,1371 0.298,1372 8.181,1373 10.999,1374 8.028,1375 6.481,1376 11.614,1377 8.34,1378 11.341,1379 0.264,1380 0.161,1381 11.341,1382 6.902,1383 9.787,1384 0.155,1385 0.088,1386 9.787,1387 5.546,1388 9.202,1389 0.096,1390 0.049,1391 9.202,1392 4.665,1393 8.088,1394 0.06,1395 0.027,1396 8.088,1397 3.639,1398 0.338,1399 74.048,1400 0.229,1401 22.286,1402 0.718,1403 142,1404 428.737,1405 160.357,1406 391.627,1407 535.19,1408 370,1409 177,1410 389.647,1411 195.169,1412 386.163,1413 582.89,1414 364,1415 6.193}
{0 CHEMBL25149,1 1.594,2 11.294,3 0.983,4 0.967,5 125.497,6 7.903,7 0.158,8 4.246,9 4.333,10 3.844,11 3.775,12 5.365,13 3.766,14 4.853,15 4.986,16 4.358,17 4.276,18 5.94,19 4.256,20 5.278,21 5.421,22 4.609,23 4.594,24 6.376,25 4.556,26 5.59,27 5.786,28 4.653,29 4.716,30 6.779,31 4.64,32 5.634,33 5.865,34 4.519,35 4.663,36 6.715,37 4.566,38 5.537,39 5.774,40 4.464,41 4.465,42 6.731,43 4.396,44 5.255,45 5.441,46 4.269,47 4.22,48 6.638,49 4.177,50 4.952,51 5.152,52 4.057,53 3.992,54 6.205,55 3.936,56 0.17,57 0.823,58 12.315,59 6.449,60 30.452,61 7.521,62 0.476,63 1.438,64 25.797,65 11.522,66 76.803,67 14.111,68 0.771,69 2.096,70 41.03,71 17.441,72 114.614,73 21.173,74 1.783,75 2.638,76 63.751,77 22.772,78 255.667,79 29.204,80 1.516,81 2.69,82 68.308,83 23.403,84 241.96,85 30.853,86 1.887,87 2.28,88 66.963,89 20.057,90 274.984,91 26.18,92 1.903,93 1.679,94 49.462,95 14.49,96 260.68,97 17.369,98 1.025,99 1.32,100 36.686,101 11.191,102 135.959,103 13.938,104 83,105 62,106 0.257,107 0.625,108 0.809,109 0.883,110 0.904,111 0.904,112 3.562,113 0.934,114 -3.17,115 -3.16,116 -3.04,121 40.3,122 3,123 3,124 2,125 2,127 1,129 2,132 1,137 1,138 1,140 2,144 2,145 1,147 1,149 1,158 1,160 1,176 10,179 1,180 13,185 4,187 18,192 5,195 1,197 8,200 17,205 6,206 15,210 1,211 7,214 16,219 9,222 1,224 10,227 8,231 2,232 15,236 2,237 1,239 9,244 7,247 6,249 5,251 6,255 1,256 7,261 1,264 9,269 2,272 5,274 3,277 7,281 1700,282 22,283 22,284 22,285 22,286 22,287 20.611,288 21.936,289 11.771,290 22.456,291 18.509,292 18.509,293 18.509,294 18.509,295 18.509,296 16.267,297 25.998,298 5.369,299 19.353,300 4.361,301 2.085,302 0.948,303 0.488,304 0.359,305 0.359,306 4.255,309 1,312 1,313 837,314 3.937,318 327.537,322 293.344,325 1.9,326 69.478,329 1,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.98,337 75.833,338 384,339 4.943,340 4.162,341 8.34,342 4.903,343 3.915,344 4.15,345 1.674,346 16.653,347 3.871,348 4.591,349 3.765,350 7.829,351 4.482,352 3.506,353 3.854,354 1.277,355 14.37,356 3.421,357 4.356,358 3.609,359 7.197,360 4.053,361 3.077,362 3.685,363 0.86,364 11.79,365 3.001,366 4.114,367 3.359,368 6.739,369 3.946,370 2.97,371 3.404,373 10.837,374 2.884,375 3.98,376 3.029,377 6.143,378 3.721,379 2.742,380 3.043,382 9,383 2.679,384 3.678,385 2.991,386 5.839,387 3.188,388 2.299,389 2.976,391 6.956,392 2.085,393 3.303,394 2.789,395 5.255,396 3.007,397 2.038,398 2.418,400 6.088,401 1.902,402 3.267,403 2.537,404 5.076,405 2.902,406 1.956,407 2.352,409 5.926,410 1.788,411 2.93,412 2.16,413 5.041,414 2.802,415 1.822,416 1.938,418 5.225,419 1.765,420 2.819,421 1.934,422 4.758,423 2.522,424 1.566,425 1.826,427 4.431,428 1.481,429 2.612,430 1.722,431 4.353,432 2.244,433 1.302,434 1.599,436 3.789,437 1.183,438 2.5,439 1.254,440 4.23,441 1.958,442 1,443 1.5,445 2.275,446 0.955,447 1.794,448 1.133,449 3.905,450 1.71,451 0.786,452 0.788,454 2.044,455 0.717,456 1.535,457 1,458 3.437,459 1.408,460 0.441,461 0.454,463 1.132,464 0.421,465 1.418,466 0.863,467 3.414,468 1.119,469 0.199,470 0.201,472 0.367,473 0.177,474 15.948,475 0.469,476 1.392,477 0.041,478 34,479 1,480 12,481 0.353,482 22,483 0.647,484 46.806,485 1.377,486 38.652,487 0.623,488 30.098,489 0.885,490 5.878,491 0.173,492 10.075,493 0.296,494 0.243,495 0.094,496 0.345,501 0.81,502 1.166,503 0.676,504 1.022,505 0.785,506 0.931,507 0.709,508 1.042,509 0.622,510 0.958,511 0.642,512 0.861,513 0.914,514 1.205,515 0.836,516 1.15,517 0.785,518 1.089,519 0.861,520 1.041,521 0.85,522 1.041,523 0.891,524 1.056,525 0.957,526 1.037,527 0.771,528 0.991,529 1.047,530 1.007,531 1.132,532 0.816,533 0.737,534 0.786,535 1.237,536 0.8,537 1.502,538 0.848,539 1.041,540 0.813,541 1.512,542 0.924,543 1.236,544 0.996,545 0.92,546 0.948,547 1.329,548 0.961,549 11,550 0.219,551 7.333,552 5.313,553 4.698,554 2.625,555 1.44,556 0.915,557 0.542,558 0.319,559 14052,560 43027,561 2.018,562 45.2,563 9,564 7,566 1,567 3,568 1,569 7,572 1.765,573 1.797,574 3.379,575 0.84,577 1,582 98.806,583 1.594,584 3.869,585 5.006,586 5.466,587 5.595,588 5.595,589 2.982,590 4.631,591 5.053,592 3.547,593 1989.87,594 8.895,595 27369.6,600 369.16,601 1.87,602 4.954,603 0.289,604 0.01,605 0.118,606 0.069,607 0.062,608 0.04,609 0.024,610 0.019,611 0.015,612 0.011,613 0.658,614 0.5,615 0.75,616 0.807,617 175.966,618 -0.089,619 0.037,620 0.008,621 0.069,622 -0.103,623 0.07,624 0.041,625 0.092,626 0.127,627 0.095,628 0.032,629 0.143,630 -0.058,631 -0.123,632 -0.058,633 -0.12,634 -0.02,635 -0.099,636 0.086,637 -0.055,638 -0.026,639 -0.071,640 0.066,641 -0.072,642 -0.049,643 -0.091,644 0.027,645 -0.052,646 -0.05,647 -0.017,648 -0.014,649 0.082,650 0.146,651 0.122,652 -0.042,653 0.163,654 -0.077,655 0.068,656 -0.096,657 0.1,658 -0.041,659 -0.015,660 -0.087,661 -0.041,662 0.027,663 -0.004,664 -0.104,665 -0.009,666 2.544,667 6.95,668 0.706,669 32.706,670 1.018,671 1.125,672 1.941,673 3.768,674 0.657,675 3.664,676 4.143,677 4.533,678 4.883,679 5.209,680 5.455,681 5.631,682 5.849,683 6.052,684 6.201,685 6.326,686 0.633,687 489.99,688 3.664,689 5.303,690 6.232,691 7.201,692 8.152,693 9.128,694 10.087,695 11.069,696 12.033,697 13.019,698 1.6,708 1,715 3,716 1,720 2,722 6,740 1,741 62,743 10,745 38,747 66,748 25,749 5,752 6,756 5,757 11,758 1,763 4,764 2,766 2,767 5,768 3,770 5,772 11,773 14,774 3,777 4,782 2,784 1,786 5,793 28,794 8,795 3,796 9,797 1,802 1,808 0.4,809 7,810 1,811 2,822 1,829 5,833 3,841 1,846 1,849 3,850 1,857 3,858 1,859 2,864 3,865 1,868 34,875 3,876 4,878 2,880 4,882 3,892 1,893 11.3,894 3,896 2,897 1,898 1,901 18.917,902 11.776,903 7.097,904 3.747,907 1.712,908 1.194,909 0.868,910 5.453,911 10.528,912 3.829,913 4.425,914 4.958,915 5.465,916 5.933,917 6.269,918 6.574,919 6.951,920 7.292,921 7.645,922 0.875,923 77,924 12.971,926 6.285,927 0.026,929 8.055,931 23.906,933 21.687,936 2.555,937 86.861,941 294.278,942 103.81,943 16.786,944 39.149,945 200.34,948 103.81,949 533.766,950 16.786,951 26.476,952 7.604,953 156.479,954 112.658,955 26.418,956 42.22,957 282.506,959 294.278,960 120.595,961 200.34,962 39.149,964 211.88,965 143.687,966 139.05,968 43.127,969 40.72,970 36.749,971 39.149,972 294.278,973 217.125,974 142.959,977 294.278,978 39.858,979 63.952,981 256.274,982 294.278,983 217.125,984 142.959,986 0.622,987 0.395,988 0.21,989 0.117,990 35,991 17,992 0.03,993 2,994 3,995 1.25,996 3.973,997 371.133,998 0.25,999 24,1000 172.974,1005 23.803,1006 7.79,1007 3.242,1009 217.125,1010 4.646,1011 4,1015 0.773,1017 128.05,1018 654.361,1019 45,1024 26.989,1026 1.477,1028 -1.214,1031 63.087,1032 69.721,1034 0.268,1035 0.65,1036 0.841,1037 0.918,1038 0.94,1039 0.94,1040 5.207,1041 1.956,1042 6.347,1043 6.088,1044 4.828,1045 5.112,1046 2.429,1047 7.391,1048 4.755,1049 6.474,1050 1.822,1051 8.074,1052 5.926,1053 4.934,1054 5.215,1056 9.012,1057 4.85,1058 7.867,1059 1.566,1060 9.919,1061 5.225,1062 6.735,1063 7.256,1064 3.142,1065 12.184,1066 6.628,1067 9.29,1068 1.302,1069 11.835,1070 4.431,1071 7.601,1072 8.064,1074 14.574,1075 7.491,1076 10.744,1077 1,1078 13.799,1079 3.789,1080 9.02,1081 9.701,1082 4,1083 17.429,1084 8.894,1085 12.22,1086 0.786,1087 15.794,1088 2.275,1089 10.171,1090 10.798,1092 20.072,1093 10.04,1094 13.713,1095 0.441,1096 17.812,1097 2.044,1098 11.499,1099 12.293,1100 4.937,1101 22.861,1102 11.356,1103 3.915,1104 0.199,1105 19.848,1106 1.132,1107 12.757,1108 13.526,1110 25.594,1111 12.607,1112 3.506,1113 16.653,1114 21.896,1115 0.367,1116 14.073,1117 14.962,1118 5.916,1119 28.375,1120 13.912,1121 3.077,1122 14.37,1123 23.955,1124 4.15,1125 15.374,1126 16.266,1128 31.143,1129 15.205,1130 2.97,1131 11.79,1132 26.022,1133 3.854,1134 16.697,1135 17.677,1136 6.918,1137 33.929,1138 16.518,1139 2.742,1140 10.837,1141 28.095,1142 3.685,1143 18.019,1144 19.02,1146 36.713,1147 17.832,1148 2.299,1149 9,1150 30.174,1151 3.404,1152 19.351,1153 20.422,1154 7.932,1155 39.506,1156 19.155,1157 2.038,1158 6.956,1159 32.258,1160 3.043,1161 20.686,1162 21.788,1164 42.299,1165 20.48,1166 13430,1167 23680,1168 23.868,1169 40.705,1170 60.196,1171 63.446,1172 65.436,1173 59.504,1174 59.406,1175 68.552,1176 7.624,1177 202.162,1178 56.815,1179 5.943,1180 6.162,1181 7.754,1182 6.005,1183 5.915,1184 7.15,1185 3.349,1186 26.176,1187 5.871,1188 22.255,1189 1.584,1190 1.67,1191 1.722,1192 1.566,1193 1.563,1194 1.804,1195 0.201,1196 5.32,1197 1.495,1198 4.107,1199 4.127,1200 4.063,1201 4.011,1202 7.445,1203 4.015,1204 3.924,1205 3.945,1206 3.962,1207 3.831,1208 7.413,1209 3.837,1210 3.788,1211 3.808,1212 3.792,1213 3.666,1214 6.466,1215 3.678,1216 3.59,1217 3.613,1218 3.547,1219 3.448,1220 6.448,1221 3.454,1222 3.452,1223 3.511,1224 3.351,1225 3.301,1226 6.439,1227 3.29,1228 3.242,1229 3.313,1230 3.28,1231 3.075,1232 5.057,1233 3.08,1234 3.235,1235 3.269,1236 3.068,1237 3.054,1238 4.766,1239 3.042,1240 3.091,1241 3.145,1242 3.057,1243 2.901,1244 4.475,1245 2.892,1246 0.13,1247 0.11,1248 0.219,1249 0.129,1250 0.103,1251 4.943,1252 0.109,1253 4.162,1254 0.044,1255 8.34,1256 0.438,1257 4.903,1258 0.102,1259 3.915,1260 4.15,1261 1.674,1262 16.653,1263 3.871,1264 2.045,1265 2.023,1266 2.178,1267 2.16,1268 1.637,1269 2.164,1270 1.882,1271 1.865,1272 1.958,1273 2.002,1274 1.223,1275 1.991,1276 1.737,1277 1.715,1278 1.876,1279 1.887,1280 1.045,1281 1.884,1282 1.541,1283 1.514,1284 1.736,1285 1.717,1286 1.025,1287 1.704,1288 1.455,1289 1.395,1290 1.671,1291 1.652,1292 0.829,1293 1.681,1294 1.246,1295 1.172,1296 1.585,1297 1.482,1298 0.777,1299 1.518,1300 1.186,1301 1.144,1302 1.51,1303 1.426,1304 0.682,1305 1.448,1306 1.065,1307 1.007,1308 1.355,1309 1.29,1310 0.439,1311 1.313,1312 4.344,1314 5.784,1316 7.444,1318 9.211,1320 11.038,1322 5.427,1323 5.852,1327 32.217,1328 0.849,1330 11.791,1332 -3.038,1334 -2.909,1340 39.228,1341 98.806,1342 239.902,1343 310.366,1344 338.896,1345 346.896,1346 346.896,1347 114.469,1348 8.816,1349 130.09,1350 130.09,1351 30,1352 13.49,1353 3.459,1354 3,1355 49.815,1356 131,1357 164,1358 0.198,1359 236.221,1360 437.62,1361 568.14,1362 81673,1363 1.6,1364 24.629,1365 0.724,1366 0.588,1367 25.129,1368 20.003,1369 15.952,1370 0.42,1371 0.311,1372 11.331,1373 15.019,1374 10.958,1375 8.922,1376 16.241,1377 11.835,1378 16.107,1379 0.26,1380 0.178,1381 16.515,1382 11.006,1383 14.775,1384 0.161,1385 0.098,1386 15.064,1387 8.993,1388 12.683,1389 0.097,1390 0.053,1391 12.85,1392 6.959,1393 10.429,1394 0.057,1395 0.028,1396 10.643,1397 5.181,1398 0.299,1399 103.938,1400 0.205,1401 30.342,1402 0.581,1403 200,1404 597.24,1405 237.044,1406 587.067,1407 777.25,1408 544,1409 254,1410 537.206,1411 285.8,1412 547.347,1413 823.86,1414 514,1415 4.097}
{0 CHEMBL25264,1 1.308,2 14.111,3 4.946,4 24.463,5 114.486,6 6.765,7 0.6,8 4.045,9 4.181,10 3.548,11 3.625,12 5.037,13 3.574,14 4.588,15 4.782,16 3.841,17 4.013,18 5.486,19 3.928,20 4.873,21 5.122,22 3.857,23 4.141,24 5.674,25 4.012,26 4.902,27 5.179,28 3.678,29 4.067,30 5.65,31 3.903,32 4.839,33 5.137,34 3.538,35 3.95,36 5.557,37 3.776,38 4.671,39 4.961,40 3.381,41 3.799,42 5.376,43 3.623,44 4.544,45 4.835,46 3.289,47 3.667,48 5.267,49 3.503,50 4.434,51 4.713,52 3.267,53 3.607,54 5.173,55 3.453,56 0.082,57 0.783,58 11.925,59 4.925,60 9.935,61 6.992,62 0.169,63 1.281,64 21.467,65 8.105,66 17.331,67 11.824,68 0.23,69 1.588,70 29.428,71 10.921,72 25.193,73 16.141,74 0.233,75 1.575,76 30.831,77 11.048,78 27.285,79 16.559,80 0.263,81 1.444,82 29.335,83 10.327,84 27.613,85 15.54,86 0.181,87 1.218,88 24.562,89 8.891,90 21.018,91 13.325,92 0.206,93 1.089,94 21.755,95 7.508,96 20.131,97 11.337,98 0.168,99 0.984,100 19.262,101 6.938,102 16.552,103 10.359,105 39,106 0.217,107 0.512,108 0.691,109 0.827,110 0.876,111 0.882,112 3.338,113 0.981,114 -5.74,115 -5.6,116 -5.22,121 43.4,123 3,127 4,144 11,145 3,148 1,149 1,168 1,176 15,180 6,183 1,185 2,187 15,192 8,195 1,197 2,200 11,206 7,214 8,219 6,222 1,224 1,227 9,232 2,237 2,239 6,243 1,244 1,249 4,251 4,255 1,256 1,261 3,264 4,269 2,274 2,277 6,281 1138,282 18.982,283 18.982,284 18.982,285 18.982,286 18.982,287 16.819,288 18.371,289 11.736,290 19.231,291 14.875,292 14.875,293 14.875,294 14.875,295 14.875,296 11.749,297 25.084,298 5.64,299 15.271,300 4.42,301 2.645,302 1.569,303 0.747,304 0.453,305 0.415,306 4.047,311 1,312 1,313 846,314 2.828,318 358.292,322 138.999,325 2.189,326 10.157,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 56,338 381,339 4.244,340 3.205,341 6.183,342 3.908,343 2.923,344 3.889,345 0.916,346 9.226,347 2.883,348 4.228,349 2.886,350 6.143,351 3.851,352 2.869,353 3.815,354 0.4,355 9.054,356 2.816,357 3.8,358 2.59,359 5.328,360 3.392,361 2.441,362 3.302,363 0.172,364 6.919,365 2.318,366 3.388,367 2.562,368 5.257,369 3.237,370 2.301,371 2.589,373 6.678,374 2.149,375 3.27,376 1.915,377 4.448,378 2.819,379 1.84,380 2.442,382 4.523,383 1.798,384 2.928,385 1.878,386 4.415,387 2.614,388 1.618,389 2.077,391 4.371,392 1.612,393 2.86,394 1.656,395 3.725,396 2.585,397 1.601,398 1.986,400 3.339,401 1.574,402 2.692,403 1.472,404 3.61,405 2.395,406 1.402,407 1.751,409 2.996,410 1.391,411 2.567,412 1.207,413 3.501,414 2.161,415 1.175,416 1.578,418 2.705,419 1.158,420 2.5,421 1,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1,431 3.247,432 1.983,433 1,434 1.5,436 2.136,437 0.982,438 1.966,439 0.967,440 3.217,441 1.817,442 0.849,443 0.923,445 1.889,446 0.819,447 1.824,448 0.768,449 3.096,450 1.631,451 0.652,452 0.748,454 1.494,455 0.637,456 1.244,457 0.259,458 2.655,459 1.046,460 0.081,461 0.089,463 0.19,464 0.078,465 0.938,466 -0.169,467 2.355,468 0.669,469 -0.313,470 -0.368,472 -0.725,473 -0.306,474 13.1,475 0.485,476 0.376,477 0.014,478 35.25,479 1.306,480 18.5,481 0.685,482 16.75,483 0.62,484 20.798,485 0.77,486 28.3,487 0.534,488 22.285,489 0.825,490 6.893,491 0.255,492 6.489,493 0.24,496 0.221,501 0.821,502 1.204,503 0.878,504 1.053,505 0.724,506 0.985,507 1.184,508 1.148,509 1.046,510 1.061,511 0.827,512 1.045,513 1.063,514 1.071,515 1.018,516 1.033,517 0.858,518 1.024,519 1.188,520 1.076,521 1.077,522 1.049,523 1.067,524 1.053,525 1.153,526 0.88,527 0.991,528 0.896,529 1.081,530 0.924,531 1.064,532 1.01,533 1.004,534 0.993,535 1.057,536 0.993,537 1.24,538 0.93,539 1.03,540 0.929,541 1.159,542 0.956,543 1.045,544 0.985,545 0.987,546 0.972,547 1.012,548 0.974,549 3.5,550 0.091,551 2.222,552 0.75,553 0.809,554 0.458,555 0.26,556 0.177,557 0.106,558 0.063,559 11884,560 24403,561 2.189,562 49.1,564 19,567 1,569 6,572 1.688,573 2.16,574 3.769,575 -0.419,582 69.326,583 1.308,584 3.083,585 4.159,586 4.981,587 5.275,588 5.313,589 3.236,590 4.236,591 4.731,592 3.949,593 1386.2,594 8.141,595 19798,597 1,600 303.58,601 0.764,602 4.731,603 0.117,604 0.005,605 0.057,606 0.02,607 0.027,608 0.018,609 0.012,610 0.009,611 0.005,612 0.003,613 0.272,614 0.33,615 0.88,617 139.779,618 0.177,619 -0.037,620 0.071,621 -0.009,622 0.188,623 0.017,624 -0.028,625 -0.038,626 -0.072,627 -0.066,628 0.063,629 -0.072,630 0.003,631 -0.056,632 -0.035,633 -0.055,634 0.084,635 -0.05,636 -0.095,637 -0.098,638 -0.086,639 -0.089,640 -0.043,641 -0.087,642 -0.026,643 0.074,644 0.011,645 0.051,646 -0.022,647 0.037,648 -0.043,649 -0.065,650 -0.013,651 -0.031,652 -0.051,653 -0.021,654 -0.025,655 0.045,656 -0.024,657 0.01,658 -0.109,659 -0.004,660 0.056,661 -0.01,662 0.008,663 -0.013,664 -0.046,665 -0.008,666 0.818,667 1.322,668 0.815,669 29.053,670 0.984,671 1.124,672 4.508,673 20.32,674 0.668,675 3.434,676 3.689,677 3.932,678 4.143,679 4.369,680 4.304,681 4.369,682 4.394,683 4.407,684 4.29,685 8.259,686 0.62,687 358.53,688 3.434,689 4.934,690 5.759,691 6.597,692 7.434,693 8.278,694 9.119,695 9.965,696 10.809,697 11.656,698 7.5,701 1,703 1,708 2,715 11,716 2,720 5,722 18,734 1,741 53,743 18,744 2,745 30,747 56,748 23,749 16,750 3,751 9,756 4,757 5,767 1,770 3,772 16,773 7,793 26,794 4,795 1,796 4,802 4,808 0.75,821 1,829 4,833 1,855 1,859 3,868 27,876 7,877 1,881 1,901 12.5,902 9.267,903 6.056,904 3.391,907 3.127,908 1.419,909 1.005,910 5.882,911 10.595,912 3.689,913 4.212,914 4.743,915 5.254,916 5.778,917 5.792,918 6.114,919 6.347,920 6.548,921 6.614,922 1,923 38,924 9.975,926 4.12,927 0.026,929 7.401,931 19.861,933 16.384,936 1.901,937 51.333,939 1,940 1,941 294.278,942 134.907,943 54.461,948 134.907,949 294.278,950 54.461,952 16.026,953 104.239,954 51.337,955 15.438,956 2.328,957 294.278,959 294.278,960 189.368,964 223.651,965 70.627,968 21.907,969 116.123,970 51.337,972 294.278,973 54.461,974 134.907,977 294.278,978 30.668,979 107.363,980 18.011,981 33.326,982 294.278,983 54.461,984 134.907,986 0.561,987 0.323,988 0.176,989 0.098,990 18,991 6,992 0.125,993 7,994 1,995 1.091,996 4.265,997 212.709,998 0.091,999 22,1000 122.382,1005 17.848,1006 8.899,1007 4.794,1009 54.461,1010 23.01,1011 8.618,1015 5.872,1017 18.011,1018 483.645,1019 39,1031 52.127,1032 59.56,1034 0.228,1035 0.538,1036 0.726,1037 0.87,1038 0.921,1039 0.928,1040 4.879,1041 1.402,1042 5.68,1043 3.339,1044 4.369,1045 4.898,1046 1.038,1047 6.395,1048 4.319,1049 6.023,1050 1.175,1051 7.168,1052 2.996,1053 3.611,1054 4.311,1055 0.325,1056 7.081,1057 3.516,1058 7.277,1059 1,1060 8.757,1061 2.705,1062 5.861,1063 6.972,1064 0.697,1065 10.164,1066 5.759,1067 8.566,1068 1,1069 10.41,1070 2.275,1071 5.994,1072 7.264,1073 0.393,1074 11.74,1075 5.857,1076 9.89,1077 0.849,1078 12.106,1079 2.136,1080 7.618,1081 9.33,1082 0.537,1083 14.275,1084 7.474,1085 11.24,1086 0.652,1087 13.833,1088 1.889,1089 8.2,1090 10.065,1091 0.384,1092 16.212,1093 8.034,1094 12.609,1095 0.081,1096 15.58,1097 1.494,1098 9.528,1099 11.831,1100 0.438,1101 18.549,1102 9.352,1103 2.923,1104 -0.313,1105 17.342,1106 0.19,1107 10.344,1108 12.812,1109 0.351,1110 20.64,1111 10.154,1112 2.869,1113 9.226,1114 19.115,1115 -0.725,1116 11.529,1117 14.41,1118 0.366,1119 22.901,1120 11.327,1121 2.441,1122 9.054,1123 20.897,1124 3.889,1125 12.466,1126 15.534,1127 0.312,1128 25.059,1129 12.252,1130 2.301,1131 6.919,1132 22.685,1133 3.815,1134 13.583,1135 17.032,1136 0.309,1137 27.291,1138 13.357,1139 1.84,1140 6.678,1141 24.478,1142 3.302,1143 14.581,1144 18.244,1145 0.273,1146 29.479,1147 14.344,1148 1.618,1149 4.523,1150 26.276,1151 2.589,1152 15.667,1153 19.682,1154 0.262,1155 31.699,1156 15.417,1157 1.601,1158 4.371,1159 28.076,1160 2.442,1161 16.696,1162 20.947,1163 0.236,1164 33.901,1165 16.435,1166 10912,1167 15772,1168 21.148,1169 35.398,1170 43.734,1171 43.595,1172 43.674,1173 43.531,1174 43.504,1175 56.379,1176 2.978,1177 115.589,1178 42.428,1179 5.194,1180 5.205,1181 5.985,1182 4.95,1183 4.923,1184 6.889,1185 1.605,1186 15.535,1187 4.883,1189 1.458,1190 1.453,1191 1.456,1192 1.451,1193 1.45,1194 1.879,1195 0.099,1196 3.853,1197 1.414,1198 4.013,1199 4.054,1200 3.946,1201 3.934,1202 5.054,1203 3.931,1204 3.96,1205 3.997,1206 3.905,1207 3.886,1208 4.745,1209 3.886,1210 3.758,1211 3.814,1212 3.673,1213 3.62,1214 4.701,1215 3.626,1216 3.65,1217 3.71,1218 3.525,1219 3.514,1220 4.252,1221 3.509,1222 3.45,1223 3.524,1224 3.304,1225 3.291,1226 4.118,1227 3.283,1228 3.193,1229 3.278,1230 3.024,1231 3.022,1232 3.886,1233 3.012,1234 3.062,1235 3.141,1236 2.905,1237 2.916,1238 3.818,1239 2.906,1240 2.889,1241 2.952,1242 2.746,1243 2.775,1244 3.719,1245 2.76,1246 0.141,1247 0.107,1248 0.206,1249 0.13,1250 0.097,1251 4.244,1252 0.13,1253 3.205,1254 0.031,1255 6.183,1256 0.308,1257 3.908,1258 0.096,1259 2.923,1260 3.889,1261 0.916,1262 9.226,1263 2.883,1264 1.98,1265 1.948,1266 2.11,1267 2.086,1268 1.385,1269 2.097,1270 1.941,1271 1.912,1272 2.045,1273 2.044,1274 1.25,1275 2.043,1276 1.736,1277 1.679,1278 1.95,1279 1.904,1280 1.113,1281 1.922,1282 1.637,1283 1.583,1284 1.789,1285 1.799,1286 0.901,1287 1.805,1288 1.447,1289 1.378,1290 1.691,1291 1.639,1292 0.831,1293 1.661,1294 1.199,1295 1.12,1296 1.507,1297 1.422,1298 0.75,1299 1.456,1300 1.074,1301 1.002,1302 1.38,1303 1.284,1304 0.606,1305 1.321,1306 0.903,1307 0.848,1308 1.181,1309 1.07,1310 0.286,1311 1.107,1312 4.111,1314 5.38,1316 6.855,1318 8.422,1320 10.034,1328 7.883,1329 3.385,1333 2.566,1340 32.88,1341 69.326,1342 163.414,1343 220.407,1344 263.97,1345 279.58,1346 281.58,1347 31.851,1348 7.468,1349 41.05,1350 41.05,1351 24,1352 12.216,1353 4.248,1354 3.322,1355 40.809,1356 138,1357 109,1358 0.14,1359 202.651,1360 344.56,1361 486.229,1362 21671,1364 18.313,1365 0.678,1366 0.579,1367 18.313,1368 15.642,1369 13.382,1370 0.446,1371 0.327,1372 9.725,1373 13.077,1374 9.519,1375 7.91,1376 13.382,1377 9.805,1378 11.301,1379 0.29,1380 0.182,1381 11.301,1382 7.099,1383 9.581,1384 0.192,1385 0.103,1386 9.581,1387 5.151,1388 7.829,1389 0.126,1390 0.058,1391 7.829,1392 3.611,1393 6.516,1394 0.084,1395 0.033,1396 6.516,1397 2.59,1398 0.234,1399 82.268,1400 0.217,1401 27.127,1402 0.348,1403 138,1404 311.268,1405 145.299,1406 314.231,1407 444.21,1408 298,1409 158,1410 337.265,1411 166.271,1412 345.795,1413 498.58,1414 327,1415 4.824}
{0 CHEMBL252723,1 1.549,2 7.28,3 0.758,4 0.575,5 89.14,6 7.552,7 0.214,8 3.967,9 4.054,10 3.535,11 3.419,12 5.088,13 3.437,14 4.561,15 4.703,16 3.986,17 3.871,18 5.655,19 3.888,20 4.811,21 4.94,22 4.199,23 4.101,24 6.027,25 4.097,26 5.029,27 5.197,28 4.263,29 4.198,30 6.158,31 4.182,32 5.097,33 5.273,34 4.198,35 4.166,36 6.336,37 4.134,38 4.992,39 5.195,40 3.923,41 4.003,42 6.233,43 3.925,44 4.827,45 5.059,46 3.517,47 3.648,48 5.964,49 3.559,50 4.406,51 4.634,52 3.107,53 3.271,54 5.464,55 3.186,56 0.146,57 0.626,58 9.761,59 4.573,60 19.068,61 5.411,62 0.546,63 1.05,64 20.338,65 7.438,66 49.455,67 9.178,68 0.751,69 1.328,70 25.576,71 10.132,72 75.387,73 12.512,74 0.796,75 1.562,76 33.677,77 12.084,78 79.249,79 15.51,80 1.362,81 1.56,82 38.276,83 12.237,84 126.452,85 15.728,86 1.057,87 1.38,88 34.8,89 11.363,90 126.259,91 15.242,92 1.168,93 1.037,94 32.361,95 8.698,96 125.335,97 11.803,98 0.723,99 0.703,100 20.875,101 5.556,102 65.611,103 7.543,104 41,105 44,106 0.269,107 0.644,108 0.83,109 0.853,110 0.861,111 0.868,112 3.27,113 0.879,114 -2.07,115 -2.12,116 -2.11,121 39.1,123 1,126 3,127 1,129 3,132 1,137 1,138 1,144 2,145 2,146 2,160 1,176 5,179 1,180 7,185 1,187 3,191 2,192 11,195 1,196 1,197 3,200 2,206 7,209 2,211 5,214 4,218 4,219 2,222 2,224 4,227 5,231 2,232 3,235 2,237 1,239 2,243 1,244 3,247 2,256 2,259 1,281 822,282 16.728,283 16.728,284 16.728,285 16.728,286 16.728,287 15.743,288 24.823,289 9.153,290 17.309,291 13.603,292 13.603,293 13.603,294 13.603,295 13.603,296 11.797,297 33.473,298 4.066,299 14.383,300 3.974,301 1.815,302 0.745,303 0.614,304 0.571,305 0.527,306 3.956,311 1,312 1,313 393,314 3.162,317 86.806,318 104.537,321 160.349,325 1.171,326 41.665,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 56.5,338 182,339 4.929,340 4.251,341 8.343,342 4.793,343 3.833,344 4.329,345 1.727,346 16.784,347 3.674,348 4.308,349 3.562,350 6.595,351 3.974,352 3.003,353 3.707,354 1.012,355 10.281,356 2.917,357 3.956,358 3.181,359 6.27,360 3.639,361 2.697,362 3.29,363 0.86,364 9.007,365 2.533,366 3.67,367 3.081,368 6.019,369 3.473,370 2.525,371 2.84,372 0.86,373 8.282,374 2.385,375 3.463,376 2.874,377 5.691,378 3.234,379 2.256,380 2.5,381 0.765,382 7.188,383 2.187,384 3.113,385 2.213,386 5.169,387 2.731,388 1.776,389 2.251,390 0.636,391 5.506,392 1.687,393 2.884,394 2.196,395 4.865,396 2.582,397 1.651,398 1.945,399 0.578,400 4.932,401 1.528,402 2.771,403 2.076,404 4.448,405 2.449,406 1.524,407 1.773,409 4.146,410 1.391,411 1.98,412 1.435,413 4.109,414 1.925,415 0.96,416 0.966,418 2.523,419 0.922,420 1.933,421 1.234,422 3.996,423 1.681,424 0.788,425 0.871,427 1.925,428 0.695,429 1.552,430 1.171,431 3.253,432 1.344,433 0.445,434 0.482,436 0.961,437 0.394,438 1.46,439 1.002,440 3.034,441 1.201,442 0.355,443 0.383,445 0.477,446 0.298,447 1.158,448 0.603,449 2.949,450 0.813,451 -0.12,452 -0.138,454 -0.3,455 -0.111,456 0.96,457 0.266,458 2.763,459 0.545,460 -0.423,461 -0.522,463 -0.834,464 -0.393,465 0.668,466 -0.008,467 2.641,468 0.322,469 -0.619,470 -0.707,472 -1.698,473 -0.577,474 11.4,475 0.456,476 0.824,477 0.033,478 26.5,479 1.06,480 9.5,481 0.38,482 17,483 0.68,484 25.355,485 1.014,486 28.8,487 0.626,488 22.802,489 0.912,490 5.387,491 0.215,492 6.547,493 0.262,494 0.219,495 0.044,496 0.43,501 0.892,502 1.363,503 0.772,504 1.208,505 0.839,506 0.999,507 1.055,508 0.883,509 0.798,510 0.791,511 0.75,512 0.718,513 0.843,514 1.171,515 0.878,516 1.139,517 0.778,518 1.038,519 0.971,520 1.201,521 0.907,522 1.158,523 0.937,524 1.039,525 1.106,526 1,527 1.075,528 1.015,529 1.136,530 1.034,531 0.93,532 1.151,533 1.093,534 1.202,535 1.207,536 1.198,537 1.324,538 0.836,539 1.183,540 0.866,541 1.581,542 0.973,543 1.385,544 0.855,545 1.261,546 0.872,547 1.077,548 1.001,549 6.5,551 4.667,552 3.583,553 2.841,554 1.814,555 0.795,556 0.42,557 0.165,558 0.04,559 5450,560 15835,561 2.048,562 45.7,564 17,567 2,569 2,572 1.693,573 1.84,574 2.819,575 0.312,577 1,582 71.277,583 1.549,584 3.708,585 4.779,586 4.909,587 4.953,588 4.996,589 2.284,590 4.244,591 4.616,592 2.961,593 888.435,594 8.052,595 9952.35,597 1,600 254.084,601 1.735,602 4.53,603 0.232,605 0.106,606 0.069,607 0.053,608 0.038,609 0.023,610 0.02,611 0.012,612 0.008,613 0.561,614 0.5,615 1,616 0.971,617 114.358,618 -0.098,619 -0.138,620 0.043,621 -0.045,622 -0.124,623 0.022,624 -0.101,625 0.259,626 0.112,627 0.256,628 -0.019,629 0.255,630 0.09,631 -0.053,632 0.015,633 -0.06,634 0.087,635 -0.047,636 -0.032,637 -0.156,638 0.027,639 -0.131,640 -0.028,641 -0.052,642 0.016,643 -0.009,644 -0.085,645 -0.04,646 0.008,647 -0.084,648 0.049,649 -0.195,650 -0.113,651 -0.227,652 0.031,653 -0.218,654 -0.103,655 0.012,656 -0.109,657 0.023,658 -0.176,659 -0.037,660 -0.194,661 0.034,662 -0.201,663 0.014,664 -0.098,665 -0.074,666 2.61,667 5.605,668 0.68,669 16.435,670 1.02,671 1.128,672 0.844,673 0.712,674 0.638,675 3.367,676 3.807,677 4.234,678 4.635,679 4.942,680 5.159,681 5.323,682 5.421,683 5.451,684 5.421,685 4.579,686 0.621,687 347.4,688 3.367,689 4.977,690 5.911,691 6.876,692 7.838,693 8.814,694 9.784,695 10.763,696 11.737,697 12.719,698 2.2,701 1,715 2,720 4,722 6,732 1,739 2,741 46,743 8,744 1,745 28,747 49,748 18,749 6,750 4,751 2,752 1,756 4,757 6,767 4,768 1,770 4,772 9,773 9,774 1,777 2,782 1,784 1,786 2,789 1,790 1,793 21,794 7,795 2,796 7,802 1,808 0.25,809 6,811 2,828 2,829 2,832 2,849 1,850 1,855 1,857 2,859 1,864 3,868 25,875 2,876 2,878 3,880 3,881 1,882 1,893 13,894 2,896 1,898 3,901 13.583,902 9.017,903 5.458,904 2.556,907 1.654,908 1.214,909 0.882,910 3.847,911 9.383,912 3.526,913 4.119,914 4.721,915 5.298,916 5.835,917 6.193,918 6.522,919 6.75,920 6.96,921 7.079,922 0.8,923 52,924 9.428,926 4.386,927 0.026,929 7.97,931 17.521,933 15.279,936 2.47,937 61.75,941 223.651,942 90.466,943 3.124,945 143.511,948 90.466,949 367.162,950 3.124,951 30.162,952 4.64,953 113.795,954 32.336,955 56.168,957 223.651,959 223.651,960 93.591,961 143.511,964 200.109,965 81.687,966 85.367,968 7.765,969 76.35,970 9.476,972 223.651,973 146.636,974 90.466,977 223.651,978 31.875,979 61.716,981 143.511,982 223.651,983 146.636,984 90.466,986 0.602,987 0.396,988 0.234,989 0.134,990 25,991 12,992 0.041,993 2,994 2,995 1.294,996 3.322,997 240.667,998 0.235,999 18,1000 116.096,1005 16.849,1006 5.708,1007 2.115,1009 146.636,1010 3.238,1015 1.7,1017 85.367,1018 460.753,1019 33,1024 12.605,1026 1.677,1028 0.43,1031 46.902,1032 51.907,1034 0.281,1035 0.671,1036 0.865,1037 0.889,1038 0.897,1039 0.905,1040 4.871,1041 1.524,1042 5.984,1043 4.932,1044 4.489,1045 4.804,1046 2.663,1047 7.004,1048 4.39,1049 6.11,1050 0.96,1051 7.683,1052 4.146,1053 4.443,1054 4.844,1055 0.325,1056 8.517,1057 4.306,1058 7.481,1059 0.788,1060 9.498,1061 2.523,1062 6.315,1063 6.965,1064 3.174,1065 11.752,1066 6.141,1067 8.89,1068 0.445,1069 11.387,1070 1.925,1071 7.099,1072 7.783,1073 0.393,1074 14.165,1075 6.879,1076 10.336,1077 0.355,1078 13.329,1079 0.961,1080 8.543,1081 9.468,1082 4.06,1083 17.065,1084 8.291,1085 11.808,1086 -0.12,1087 15.311,1088 0.477,1089 9.664,1090 10.619,1091 0.458,1092 19.773,1093 9.365,1094 13.301,1095 -0.423,1096 17.325,1097 -0.3,1098 11,1099 12.155,1100 5.091,1101 22.606,1102 10.667,1103 3.833,1104 -0.619,1105 19.363,1106 -0.834,1107 12.252,1108 13.46,1109 0.52,1110 25.396,1111 11.873,1112 3.003,1113 16.784,1114 21.421,1115 -1.698,1116 13.572,1117 14.94,1118 6.167,1119 28.218,1120 13.155,1121 2.697,1122 10.281,1123 23.494,1124 4.329,1125 14.874,1126 16.319,1127 0.576,1128 31.029,1129 14.413,1130 2.525,1131 9.007,1132 25.578,1133 3.707,1134 16.199,1135 17.78,1136 7.255,1137 33.85,1138 15.697,1139 2.256,1140 8.282,1141 27.671,1142 3.29,1143 17.522,1144 19.195,1145 0.624,1146 36.667,1147 16.977,1148 1.776,1149 7.188,1150 29.771,1151 2.84,1152 18.854,1153 20.651,1154 8.346,1155 39.488,1156 18.266,1157 1.651,1158 5.506,1159 31.876,1160 2.5,1161 20.187,1162 22.086,1163 0.666,1164 42.307,1165 19.556,1166 5396,1167 9266,1168 17.918,1169 29.347,1170 43.755,1171 45.504,1172 48.375,1173 43.512,1174 43.625,1175 50.676,1176 12.876,1177 144.024,1178 41.218,1179 5.913,1180 6.251,1181 7.885,1182 5.876,1183 5.833,1184 7.329,1185 3.455,1186 25.525,1187 5.674,1188 14.778,1189 1.563,1190 1.625,1191 1.728,1192 1.554,1193 1.558,1194 1.81,1195 0.46,1196 5.144,1197 1.472,1198 4.098,1199 4.112,1200 4.06,1201 3.998,1202 7.433,1203 4.01,1204 3.853,1205 3.88,1206 3.79,1207 3.747,1208 6.494,1209 3.752,1210 3.515,1211 3.558,1212 3.416,1213 3.303,1214 6.401,1215 3.319,1216 3.397,1217 3.413,1218 3.314,1219 3.149,1220 4.926,1221 3.185,1222 3.249,1223 3.315,1224 3.065,1225 2.973,1226 4.568,1227 2.982,1228 3.14,1229 3.226,1230 2.959,1231 2.912,1232 4.495,1233 2.908,1234 3.035,1235 3.086,1236 2.856,1237 2.781,1238 4.332,1239 2.783,1240 2.926,1241 2.977,1242 2.735,1243 2.735,1244 3.973,1245 2.718,1246 0.176,1247 0.152,1248 0.298,1249 0.171,1250 0.137,1251 4.929,1252 0.155,1253 4.251,1254 0.062,1255 8.343,1256 0.599,1257 4.793,1258 0.131,1259 3.833,1260 4.329,1261 1.727,1262 16.784,1263 3.674,1264 1.934,1265 1.922,1266 2.013,1267 2.033,1268 1.365,1269 2.025,1270 1.768,1271 1.751,1272 1.88,1273 1.909,1274 1.118,1275 1.894,1276 1.549,1277 1.476,1278 1.799,1279 1.782,1280 1.017,1281 1.796,1282 1.227,1283 1.195,1284 1.576,1285 1.532,1286 0.711,1287 1.541,1288 1.225,1289 1.164,1290 1.559,1291 1.511,1292 0.578,1293 1.52,1294 1.186,1295 1.114,1296 1.52,1297 1.478,1298 0.575,1299 1.489,1300 1.073,1301 1.041,1302 1.244,1303 1.369,1304 0.449,1305 1.318,1306 0.854,1307 0.796,1308 1.205,1309 1.14,1310 0.367,1311 1.172,1312 4.043,1314 5.451,1315 3.045,1316 7.077,1317 5.533,1318 8.814,1319 7.758,1320 10.616,1322 4.92,1327 21.261,1328 1.519,1330 16.425,1332 -2.705,1333 2.042,1334 -1.36,1340 28.578,1341 71.277,1342 170.574,1343 219.819,1344 225.819,1345 227.819,1346 229.819,1347 57.543,1348 7.728,1349 88.46,1350 88.46,1351 22,1352 13.19,1353 3.17,1354 2.585,1355 35.407,1356 66,1357 79,1358 0.271,1359 169.994,1360 310.16,1361 406.545,1362 20349,1364 17.93,1365 0.717,1366 0.574,1367 17.93,1368 14.353,1369 11.934,1370 0.426,1371 0.293,1372 8.01,1373 11.224,1374 7.779,1375 6.369,1376 11.934,1377 8.205,1378 11.214,1379 0.255,1380 0.153,1381 11.214,1382 6.746,1383 10.571,1384 0.155,1385 0.081,1386 10.571,1387 5.525,1388 9.463,1389 0.093,1390 0.043,1391 9.463,1392 4.415,1393 8.029,1394 0.058,1395 0.023,1396 8.029,1397 3.217,1398 0.393,1399 76.988,1400 0.236,1401 22.846,1402 0.865,1403 144,1404 462.887,1405 163.242,1406 422.468,1407 570.13,1408 396,1409 184,1410 408.658,1411 205.656,1412 409.624,1413 621.44,1414 382,1415 5.635}
{0 CHEMBL254016,1 1.329,2 24.28,3 7.021,4 49.294,5 206.712,6 5.958,7 0.226,8 4.788,9 4.93,10 4.152,11 4.268,12 5.673,13 4.201,14 5.411,15 5.636,16 4.443,17 4.673,18 6.192,19 4.567,20 5.713,21 5.972,22 4.555,23 4.884,24 6.45,25 4.742,26 5.849,27 6.112,28 4.526,29 4.954,30 6.61,31 4.782,32 5.919,33 6.214,34 4.471,35 4.967,36 6.604,37 4.769,38 5.905,39 6.21,40 4.409,41 4.92,42 6.557,43 4.719,44 5.816,45 6.108,46 4.34,47 4.861,48 6.517,49 4.657,50 5.775,51 6.076,52 4.286,53 4.789,54 6.476,55 4.581,56 0.123,57 1.599,58 29.172,59 11.54,60 16.388,61 16.755,62 0.561,63 2.588,64 53.184,65 18.323,66 38.901,67 27.715,68 0.58,69 3.244,70 69.916,71 24.799,72 50.824,73 37.151,74 0.852,75 3.517,76 79.661,77 28.265,78 78.689,79 41.847,80 0.734,81 3.662,82 83.475,83 29.668,84 77.339,85 44.621,86 0.797,87 3.536,88 82.091,89 28.311,90 73.078,91 42.963,92 0.879,93 3.253,94 75.562,95 27.427,96 73.622,97 40.345,98 0.585,99 3.055,100 71.623,101 26.061,102 65.579,103 38.665,104 53,105 68,106 0.19,107 0.403,108 0.629,109 0.726,110 0.731,111 0.731,112 3.934,113 1.115,114 -5.49,115 -5.36,116 -5.01,121 36.2,122 2,123 12,124 2,126 2,127 10,144 8,145 2,146 2,160 2,176 19,179 2,180 18,187 18,192 14,200 10,205 2,206 18,214 10,219 14,227 14,232 6,239 22,243 5,244 6,251 26,256 2,264 16,268 2,269 16,277 12,281 7536,282 34.499,283 34.499,284 34.499,285 34.499,286 34.499,287 32.735,288 43.467,289 20.921,290 35.3,291 25.894,292 25.894,293 25.894,294 25.894,295 25.894,296 23.106,297 48.336,298 9.575,299 26.87,300 5.529,301 4.043,302 2.461,303 1.785,304 1.75,305 1.75,306 4.627,313 2544,314 5.657,318 894.298,325 4.429,326 36.24,329 0.5,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.7,337 106,338 1214,339 4.206,340 3.718,341 6.185,342 3.921,343 2.941,344 3.805,345 1.94,346 9.169,347 2.888,348 4.206,349 3.715,350 6.159,351 3.84,352 2.876,353 3.805,354 1.94,355 9.118,356 2.773,357 4.012,358 3.188,359 6.159,360 3.84,361 2.875,362 3.132,363 0.916,364 9.118,365 2.773,366 3.944,367 3.188,368 6.021,369 3.746,370 2.783,371 3.101,372 0.916,373 8.555,374 2.675,375 3.735,376 2.864,377 5.956,378 3.603,379 2.617,380 2.779,381 0.86,382 8.352,383 2.571,384 3.43,385 2.729,386 5.284,387 3.303,388 2.38,389 2.467,390 0.86,391 6.713,392 2.196,393 3.43,394 2.729,395 5.284,396 3.302,397 2.379,398 2.467,399 0.555,400 6.713,401 2.195,402 2.979,403 2.39,404 4.557,405 2.886,406 1.886,407 2.088,408 0.555,409 4.777,410 1.879,411 2.917,412 2.175,413 4.317,414 2.722,415 1.74,416 2.088,417 0.172,418 4.093,419 1.704,420 2.917,421 1.959,422 4.316,423 2.599,424 1.609,425 1.985,426 0.172,427 4.039,428 1.591,429 2.851,430 1.958,431 4.246,432 2.492,433 1.543,434 1.956,436 3.992,437 1.457,438 2.842,439 1.693,440 4.065,441 2.477,442 1.521,443 1.942,445 3.573,446 1.443,447 2.74,448 1.692,449 3.645,450 2.435,451 1.44,452 1.74,454 3.074,455 1.429,456 2.598,457 1.505,458 3.635,459 2.412,460 1.418,461 1.592,463 3.035,464 1.409,465 2.495,466 1.505,467 3.602,468 2.323,469 1.326,470 1.448,472 2.954,473 1.314,474 23.933,475 0.479,476 0.81,477 0.016,478 47,479 0.94,480 16,481 0.32,482 31,483 0.62,484 68.292,485 1.366,486 59.467,487 0.513,488 36.186,489 0.724,490 8.397,491 0.168,492 16.051,493 0.321,494 0.111,496 0.234,501 0.784,502 1.616,503 1.029,504 1.398,505 0.564,506 1.26,507 1.126,508 1.159,509 1.109,510 1.072,511 0.64,512 1.075,513 1.01,514 1.089,515 1.037,516 1.065,517 0.9,518 1.046,519 1.184,520 1.113,521 1.14,522 1.115,523 1.389,524 1.126,525 0.921,526 1.041,527 1.006,528 1.028,529 1.142,530 1.026,531 0.999,532 0.919,533 0.992,534 0.928,535 0.86,536 0.95,537 0.953,538 0.929,539 1.047,540 1.015,541 1.028,542 1.041,543 0.854,544 1.064,545 0.933,546 1.053,547 1.241,548 1.015,549 8,550 0.305,551 5.333,552 2.5,553 2.009,554 1.361,555 0.931,556 0.542,557 0.394,558 0.305,559 64333,560 127025,561 2.028,562 56.9,563 10,564 34,568 4,569 18,572 1.843,573 1.923,574 4.503,575 -0.836,582 154.118,583 1.329,584 2.815,585 4.397,586 5.073,587 5.108,588 5.108,589 3.894,590 4.484,591 5.614,592 4.79,593 5867.15,594 9.928,595 146371,600 795.526,601 1.273,602 5.586,603 0.151,604 0.006,605 0.078,606 0.034,607 0.03,608 0.021,609 0.016,610 0.01,611 0.008,612 0.006,613 0.359,614 0.17,615 0.63,616 0.771,617 317.931,618 0.044,619 -0.25,620 0.065,621 -0.111,622 0.04,623 -0.036,624 -0.027,625 0.036,626 -0.036,627 0.007,628 0.026,629 -0.011,630 -0.051,631 0.001,632 -0.017,633 -0.024,634 0.002,635 -0.014,636 -0.058,637 -0.083,638 -0.12,639 -0.091,640 -0.09,641 -0.112,642 -0.043,643 -0.061,644 -0.032,645 -0.042,646 -0.071,647 -0.037,648 -0.068,649 0.046,650 -0.017,651 0.026,652 -0.041,653 0.014,654 0.015,655 0.043,656 -0.066,657 -0.028,658 -0.038,659 -0.054,660 0.018,661 -0.129,662 0.025,663 -0.067,664 -0.04,665 -0.028,666 1.33,667 5.988,668 0.48,669 109.389,670 0.984,671 1.135,672 4.257,673 18.122,674 0.616,675 3.989,676 4.234,677 4.466,678 4.615,679 4.779,680 4.779,681 4.828,682 4.796,683 4.844,684 4.949,685 14.44,686 0.563,687 691.12,688 3.989,689 5.493,690 6.312,691 7.144,692 7.976,693 8.814,694 9.65,695 10.49,696 11.329,697 12.17,698 3.4,701 2,705 2,715 8,720 4,722 12,739 2,741 116,743 14,744 2,745 53,747 119,748 42,749 12,750 4,751 8,756 4,757 4,763 2,767 4,768 2,770 12,772 14,773 28,774 2,777 2,782 2,786 2,793 66,794 8,796 8,802 4,808 1,809 4,829 4,844 2,855 2,859 4,864 4,868 50,876 22,878 2,880 2,881 4,893 3.4,896 2,898 2,901 26,902 21.3,903 11.722,904 8.003,907 1.643,908 1.192,909 0.926,910 18.136,911 10.199,912 4.127,913 4.522,914 4.916,915 5.251,916 5.608,917 5.518,918 5.585,919 5.573,920 5.584,921 5.631,922 0.938,923 74,924 18.704,926 7.576,927 0.026,929 7.473,931 37.481,933 30.692,936 1.973,937 98.667,941 776.893,942 192.965,943 12.497,945 72.29,948 192.965,949 849.182,950 12.497,951 39.417,952 57.72,953 75.81,954 59.699,955 45.106,957 776.893,959 776.893,960 205.462,961 72.29,964 565.013,965 284.169,968 81.619,969 123.843,972 776.893,973 84.787,974 192.965,977 776.893,978 77.739,979 127.724,981 72.29,982 776.893,983 84.787,984 192.965,986 0.557,987 0.333,988 0.172,989 0.089,990 24,991 12,992 0.176,993 21,995 1,996 6.111,997 465.281,999 24,1000 224.193,1005 40.331,1006 22.484,1007 13.246,1009 84.787,1010 16.518,1015 4.365,1018 1054.65,1019 61,1024 25.977,1028 0.674,1031 114.108,1032 131.702,1034 0.194,1035 0.41,1036 0.641,1037 0.74,1038 0.745,1039 0.745,1040 5.352,1041 1.886,1042 6.248,1043 6.713,1044 4.92,1045 5.209,1046 3.013,1047 6.978,1048 4.853,1049 6.456,1050 1.74,1051 7.76,1052 4.777,1053 4.29,1054 4.745,1055 2.339,1056 7.758,1057 4.175,1058 7.7,1059 1.609,1060 9.374,1061 4.093,1062 6.438,1063 7.109,1064 3.737,1065 10.798,1066 6.302,1067 8.975,1068 1.543,1069 11.049,1070 4.039,1071 6.686,1072 7.519,1073 3.823,1074 12.417,1075 6.5,1076 10.287,1077 1.521,1078 12.765,1079 3.992,1080 8.22,1081 9.347,1082 4.841,1083 14.931,1084 8.019,1085 11.621,1086 1.44,1087 14.507,1088 3.573,1089 8.878,1090 10.167,1091 5.232,1092 16.879,1093 8.633,1094 12.974,1095 1.418,1096 16.267,1097 3.074,1098 10.147,1099 11.774,1100 6.078,1101 19.203,1102 9.887,1103 2.941,1104 1.326,1105 18.039,1106 3.035,1107 11.005,1108 12.805,1109 6.605,1110 21.289,1111 10.707,1112 2.876,1113 9.169,1114 19.821,1115 2.954,1116 12.155,1117 14.302,1118 7.363,1119 23.538,1120 11.838,1121 2.875,1122 9.118,1123 21.608,1124 3.805,1125 13.111,1126 15.451,1127 7.956,1128 25.685,1129 12.761,1130 2.783,1131 9.118,1132 23.401,1133 3.805,1134 14.206,1135 16.886,1136 8.669,1137 27.904,1138 13.835,1139 2.617,1140 8.555,1141 25.197,1142 3.132,1143 15.211,1144 18.105,1145 9.296,1146 30.079,1147 14.809,1148 2.38,1149 8.352,1150 26.996,1151 3.101,1152 16.283,1153 19.503,1154 9.985,1155 32.286,1156 15.858,1157 2.379,1158 6.713,1159 28.797,1160 2.779,1161 17.312,1162 20.765,1163 10.629,1164 34.475,1165 16.859,1166 61889,1167 87105,1168 35.364,1169 71.444,1170 75.608,1171 77.672,1172 78.565,1173 75.277,1174 75.299,1175 86.068,1176 17.779,1177 200.825,1178 72.822,1179 5.206,1180 5.718,1181 5.959,1182 4.956,1183 4.941,1184 6.805,1185 3.348,1186 15.4,1187 4.888,1188 26.36,1189 1.427,1190 1.466,1191 1.482,1192 1.42,1193 1.421,1194 1.624,1195 0.335,1196 3.789,1197 1.374,1198 4.019,1199 4.069,1200 3.924,1201 3.904,1202 7.429,1203 3.903,1204 3.931,1205 3.971,1206 3.861,1207 3.845,1208 7.425,1209 3.844,1210 3.925,1211 3.957,1212 3.844,1213 3.827,1214 4.877,1215 3.823,1216 3.808,1217 3.864,1218 3.705,1219 3.646,1220 4.847,1221 3.647,1222 3.752,1223 3.81,1224 3.612,1225 3.623,1226 4.397,1227 3.61,1228 3.698,1229 3.767,1230 3.559,1231 3.526,1232 4.392,1233 3.525,1234 3.594,1235 3.661,1236 3.466,1237 3.411,1238 4.368,1239 3.412,1240 3.544,1241 3.621,1242 3.374,1243 3.373,1244 4.268,1245 3.364,1246 0.079,1247 0.07,1248 0.117,1249 0.074,1250 0.055,1251 4.206,1252 0.072,1253 3.718,1254 0.037,1255 6.185,1256 0.173,1257 3.921,1258 0.054,1259 2.941,1260 3.805,1261 1.94,1262 9.169,1263 2.888,1264 1.937,1265 1.889,1266 2.128,1267 2.094,1268 1.55,1269 2.108,1270 1.913,1271 1.887,1272 2.048,1273 2.032,1274 1.365,1275 2.039,1276 1.913,1277 1.884,1278 2.046,1279 2.03,1280 1.36,1281 2.037,1282 1.784,1283 1.728,1284 1.993,1285 1.968,1286 1.259,1287 1.974,1288 1.752,1289 1.693,1290 1.979,1291 1.914,1292 1.194,1293 1.938,1294 1.681,1295 1.614,1296 1.911,1297 1.879,1298 1.187,1299 1.895,1300 1.575,1301 1.504,1302 1.841,1303 1.786,1304 1.033,1305 1.806,1306 1.548,1307 1.472,1308 1.831,1309 1.754,1310 1.028,1311 1.785,1312 4.673,1314 5.938,1316 7.397,1318 8.942,1320 10.53,1322 7.889,1328 21.655,1330 11.053,1332 1.383,1333 9.152,1340 65.276,1341 154.118,1342 326.544,1343 510.068,1344 588.506,1345 592.506,1346 592.506,1347 137.489,1348 8.556,1349 65.56,1350 65.56,1351 24,1352 12.735,1353 3.907,1354 3.17,1355 105.7,1356 439,1357 356,1358 0.111,1359 403.818,1360 721.96,1361 977.076,1362 97753,1364 35.556,1365 0.711,1366 0.635,1367 35.556,1368 31.752,1369 24.448,1370 0.461,1371 0.372,1372 19.46,1373 23.581,1374 18.908,1375 15.756,1376 24.448,1377 19.692,1378 20.026,1379 0.294,1380 0.212,1381 20.026,1382 14.419,1383 17.061,1384 0.198,1385 0.131,1386 17.061,1387 11.249,1388 13.092,1389 0.131,1390 0.08,1391 13.092,1392 7.981,1393 10.065,1394 0.085,1395 0.048,1396 10.065,1397 5.678,1398 0.189,1399 152.447,1400 0.168,1401 45.297,1402 0.268,1403 242,1404 583.523,1405 261.178,1406 552.295,1407 745.94,1408 522,1409 275,1410 525.223,1411 295.291,1412 532.313,1413 768.51,1414 499,1415 8.481}
{0 CHEMBL25412,1 1.296,2 14.714,3 5.168,4 26.706,5 118.594,6 6.653,7 0.581,8 4.094,9 4.232,10 3.581,11 3.671,12 5.074,13 3.616,14 4.645,15 4.84,16 3.871,17 4.064,18 5.524,19 3.973,20 4.954,21 5.209,22 3.873,23 4.201,24 5.723,25 4.058,26 5.005,27 5.296,28 3.715,29 4.127,30 5.706,31 3.951,32 4.92,33 5.221,34 3.655,35 4.032,36 5.634,37 3.869,38 4.787,39 5.068,40 3.56,41 3.957,42 5.517,43 3.793,44 4.699,45 4.98,46 3.454,47 3.861,48 5.416,49 3.692,50 4.603,51 4.888,52 3.338,53 3.75,54 5.341,55 3.58,56 0.087,57 0.822,58 12.81,59 5.276,60 10.873,61 7.532,62 0.176,63 1.35,64 22.995,65 8.724,66 18.697,67 12.784,68 0.243,69 1.7,70 32.085,71 11.988,72 27.076,73 17.776,74 0.251,75 1.702,76 34.279,77 12.319,78 28.428,79 18.571,80 0.264,81 1.562,82 31.74,83 10.912,84 29.319,85 16.633,86 0.239,87 1.39,88 27.488,89 9.899,90 24.722,91 14.827,92 0.18,93 1.262,94 25.061,95 9.172,96 20.901,97 13.739,98 0.212,99 1.153,100 22.931,101 8.068,102 22.065,103 12.156,105 40,106 0.213,107 0.496,108 0.654,109 0.775,110 0.825,111 0.831,112 3.373,113 0.993,114 -5.95,115 -5.8,116 -5.4,121 42.9,123 3,124 1,127 4,144 12,145 2,148 1,149 1,168 1,176 16,180 6,183 1,185 2,187 16,192 8,195 1,197 2,200 9,206 8,211 2,214 7,219 6,224 1,227 10,232 4,235 1,237 2,239 11,244 2,249 2,251 9,255 1,256 1,261 2,264 6,268 1,269 1,274 2,277 7,281 1296,282 19.637,283 19.637,284 19.637,285 19.637,286 19.637,287 17.474,288 18.133,289 12.14,290 19.886,291 15.37,292 15.37,293 15.37,294 15.37,295 15.37,296 12.309,297 25.729,298 5.853,299 15.762,300 4.512,301 2.788,302 1.827,303 1.09,304 0.786,305 0.75,306 4.08,311 1,312 1,313 908,314 2.646,318 426.529,325 2.429,326 10.401,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 58,338 412,339 4.244,340 3.018,341 6.143,342 3.851,343 2.87,344 3.889,345 0.916,346 9.054,347 2.817,348 3.941,349 2.886,350 5.617,351 3.69,352 2.727,353 3.457,354 0.4,355 7.789,356 2.634,357 3.802,358 2.604,359 5.353,360 3.48,361 2.492,362 3.302,363 0.172,364 6.999,365 2.471,366 3.602,367 2.529,368 5.304,369 3.374,370 2.414,371 2.642,373 6.866,374 2.306,375 3.273,376 2.229,377 4.953,378 3.033,379 2.079,380 2.583,382 5.864,383 1.973,384 3.172,385 1.854,386 4.447,387 2.801,388 1.822,389 2.242,391 4.518,392 1.781,393 2.827,394 1.524,395 3.599,396 2.423,397 1.428,398 1.929,400 3.05,401 1.42,402 2.655,403 1.363,404 3.532,405 2.234,406 1.258,407 1.723,409 2.791,410 1.226,411 2.5,412 1.102,413 3.414,414 2.025,415 1.052,416 1.5,418 2.432,419 1.021,420 2.5,421 1.077,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1,431 3.409,432 2,433 1,434 1.5,436 2.275,437 1,438 2.206,439 1,440 3.247,441 1.984,442 1,443 1.186,445 2.136,446 0.983,447 2,448 1,449 3.247,450 1.983,451 1,452 1,454 2.136,455 0.982,456 1.389,457 0.431,458 2.884,459 1.234,460 0.268,461 0.29,463 0.652,464 0.258,465 1.156,466 0.118,467 2.638,468 0.915,469 -0.058,470 -0.067,472 -0.144,473 -0.057,474 13.6,475 0.486,476 0.393,477 0.014,478 35.75,479 1.277,480 18.5,481 0.661,482 17.25,483 0.616,484 22.659,485 0.809,486 29.6,487 0.529,488 22.689,489 0.81,490 6.895,491 0.246,492 6.97,493 0.249,496 0.213,501 0.825,502 1.215,503 0.899,504 1.071,505 0.73,506 1.005,507 1.181,508 1.178,509 1.077,510 1.102,511 0.811,512 1.085,513 1.042,514 1.103,515 1.051,516 1.079,517 0.826,518 1.068,519 1.095,520 1.041,521 1,522 0.997,523 0.928,524 0.992,525 1.284,526 0.885,527 0.941,528 0.831,529 1.103,530 0.854,531 1.176,532 0.925,533 1.044,534 0.954,535 1.166,536 0.982,537 1.087,538 1.042,539 1.03,540 1.022,541 1.167,542 1.021,543 1.267,544 0.941,545 1.088,546 0.973,547 1.375,548 1.008,549 4,550 0.074,551 2,552 0.75,553 0.667,554 0.5,555 0.441,556 0.151,557 0.127,558 0.114,559 12975,560 26468,561 2.182,562 50,563 1,564 20,567 1,569 6,572 1.699,573 2.154,574 3.827,575 -0.429,582 72.567,583 1.296,584 3.019,585 3.981,586 4.718,587 5.022,588 5.057,589 3.253,590 3.995,591 4.778,592 4.009,593 1515.54,594 8.247,595 22200.1,600 325.212,601 0.75,602 4.784,603 0.129,604 0.004,605 0.05,606 0.02,607 0.022,608 0.017,609 0.016,610 0.006,611 0.006,612 0.006,613 0.275,614 0.33,615 0.88,617 146.695,618 0.181,619 -0.036,620 0.07,621 -0.009,622 0.199,623 0.016,624 -0.028,625 -0.062,626 -0.093,627 -0.093,628 0.082,629 -0.098,630 0.002,631 -0.093,632 -0.067,633 -0.097,634 0.093,635 -0.089,636 -0.033,637 -0.086,638 -0.009,639 -0.041,640 0.048,641 -0.026,642 -0.082,643 0.079,644 0.064,645 0.106,646 -0.029,647 0.098,648 -0.053,649 0.058,650 -0.05,651 0.003,652 -0.134,653 -0.019,654 -0.059,655 -0.076,656 -0.043,657 -0.055,658 -0.139,659 -0.049,660 -0.069,661 0.046,662 -0.088,663 -0.027,664 -0.228,665 -0.054,666 0.804,667 1.345,668 0.857,669 34.898,670 0.982,671 1.125,672 4.719,673 22.268,674 0.664,675 3.466,676 3.714,677 3.932,678 4.127,679 4.344,680 4.263,681 4.369,682 4.419,683 4.466,684 4.533,685 8.504,686 0.614,687 372.56,688 3.466,689 4.963,690 5.778,691 6.608,692 7.433,693 8.267,694 9.096,695 9.931,696 10.762,697 11.598,698 7.1,701 1,703 1,708 2,715 12,716 2,720 4,722 18,734 1,741 56,743 18,744 2,745 31,747 59,748 24,749 16,750 2,751 10,756 4,757 4,767 2,768 1,770 3,772 16,773 8,774 1,793 28,794 4,795 1,796 4,802 4,808 1,821 1,829 4,855 1,859 4,868 28,876 7,877 1,880 1,881 1,901 13,902 9.683,903 6.278,904 3.565,907 2.934,908 1.392,909 0.993,910 6.439,911 10.416,912 3.714,913 4.212,914 4.707,915 5.199,916 5.709,917 5.678,918 6.029,919 6.279,920 6.495,921 6.705,922 0.9,923 38,924 10.351,926 4.271,927 0.026,929 7.393,931 20.659,933 17.106,936 1.893,937 53,940 1,941 317.82,942 141.197,943 54.461,948 141.197,949 317.82,950 54.461,952 16.026,953 113.715,954 51.337,955 12.252,956 2.328,957 317.82,959 317.82,960 195.658,964 247.193,965 70.627,968 21.907,969 122.414,970 51.337,972 317.82,973 54.461,974 141.197,977 317.82,978 27.482,979 116.839,980 18.011,981 33.326,982 317.82,983 54.461,984 141.197,986 0.561,987 0.317,988 0.169,989 0.094,990 18,991 6,992 0.119,993 7,995 1,996 4.365,997 222.454,999 24,1000 122.606,1005 18.801,1006 9.59,1007 5.485,1009 54.461,1010 25.017,1011 8.672,1015 4.294,1017 18.011,1018 513.478,1019 40,1031 55.01,1032 62.976,1034 0.223,1035 0.52,1036 0.685,1037 0.812,1038 0.865,1039 0.871,1040 4.902,1041 1.258,1042 5.694,1043 3.05,1044 4.394,1045 4.898,1046 1.038,1047 6.382,1048 4.345,1049 6.032,1050 1.052,1051 7.165,1052 2.791,1053 3.611,1054 4.205,1055 0.325,1056 6.986,1057 3.516,1058 7.272,1059 1,1060 8.731,1061 2.432,1062 5.866,1063 6.919,1064 0.697,1065 10.04,1066 5.765,1067 8.541,1068 1,1069 10.355,1070 2.275,1071 5.943,1072 7.072,1073 0.393,1074 11.512,1075 5.798,1076 9.843,1077 1,1078 12.019,1079 2.275,1080 7.58,1081 9.212,1082 0.537,1083 14.008,1084 7.43,1085 11.167,1086 1,1087 13.71,1088 2.136,1089 8.086,1090 9.808,1091 0.384,1092 15.852,1093 7.899,1094 12.509,1095 0.268,1096 15.42,1097 2.136,1098 9.423,1099 11.645,1100 0.438,1101 18.144,1102 9.226,1103 2.87,1104 -0.058,1105 17.144,1106 0.652,1107 10.163,1108 12.506,1109 0.351,1110 20.163,1111 9.935,1112 2.727,1113 9.054,1114 18.879,1115 -0.144,1116 11.345,1117 14.16,1118 0.366,1119 22.379,1120 11.104,1121 2.492,1122 7.789,1123 20.624,1124 3.889,1125 12.215,1126 15.191,1127 0.312,1128 24.484,1129 11.948,1130 2.414,1131 6.999,1132 22.375,1133 3.457,1134 13.319,1135 16.729,1136 0.309,1137 26.675,1138 13.036,1139 2.079,1140 6.866,1141 24.133,1142 3.302,1143 14.262,1144 17.872,1145 0.273,1146 28.823,1147 13.954,1148 1.822,1149 5.864,1150 25.897,1151 2.642,1152 15.327,1153 19.337,1154 0.262,1155 31.009,1156 15.002,1157 1.428,1158 4.518,1159 27.665,1160 2.583,1161 16.31,1162 20.554,1163 0.236,1164 33.179,1165 15.963,1166 11983,1167 17254,1168 21.841,1169 37.16,1170 45.092,1171 44.876,1172 44.982,1173 44.856,1174 44.819,1175 57.486,1176 2.978,1177 117.672,1178 43.742,1179 5.244,1180 5.018,1181 5.945,1182 4.893,1183 4.87,1184 6.889,1185 1.605,1186 15.117,1187 4.817,1189 1.455,1190 1.448,1191 1.451,1192 1.447,1193 1.446,1194 1.854,1195 0.096,1196 3.796,1197 1.411,1198 3.997,1199 4.043,1200 3.935,1201 3.908,1202 5.054,1203 3.907,1204 3.936,1205 3.977,1206 3.859,1207 3.859,1208 4.756,1209 3.854,1210 3.829,1211 3.876,1212 3.719,1213 3.727,1214 4.702,1215 3.717,1216 3.72,1217 3.773,1218 3.646,1219 3.586,1220 4.335,1221 3.595,1222 3.447,1223 3.526,1224 3.301,1225 3.264,1226 4.128,1227 3.261,1228 3.169,1229 3.25,1230 3.023,1231 3.005,1232 3.885,1233 2.998,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.809,1239 2.91,1240 2.94,1241 3.006,1242 2.812,1243 2.826,1244 3.674,1245 2.817,1246 0.137,1247 0.097,1248 0.198,1249 0.124,1250 0.093,1251 4.244,1252 0.125,1253 3.018,1254 0.03,1255 6.143,1256 0.292,1257 3.851,1258 0.091,1259 2.87,1260 3.889,1261 0.916,1262 9.054,1263 2.817,1264 1.943,1265 1.913,1266 2.101,1267 2.073,1268 1.481,1269 2.085,1270 1.932,1271 1.895,1272 2.044,1273 2.038,1274 1.165,1275 2.039,1276 1.84,1277 1.79,1278 2.013,1279 1.954,1280 1.115,1281 1.976,1282 1.683,1283 1.636,1284 1.822,1285 1.85,1286 1.005,1287 1.848,1288 1.432,1289 1.357,1290 1.681,1291 1.644,1292 0.825,1293 1.662,1294 1.166,1295 1.093,1296 1.513,1297 1.383,1298 0.795,1299 1.429,1300 1.153,1301 1.064,1302 1.449,1303 1.376,1304 0.671,1305 1.409,1306 0.942,1307 0.888,1308 1.195,1309 1.131,1310 0.409,1311 1.159,1312 4.143,1314 5.407,1316 6.87,1318 8.412,1320 9.992,1328 8.204,1329 3.434,1332 0.802,1333 2.576,1340 34.407,1341 72.567,1342 169.06,1343 222.908,1344 264.192,1345 281.212,1346 283.212,1347 35.001,1348 7.482,1349 41.05,1350 41.05,1351 24,1352 12.167,1353 4.248,1354 3.322,1355 42.999,1356 146,1357 122,1358 0.14,1359 212.244,1360 361.86,1361 509.635,1362 21409,1364 19.02,1365 0.679,1366 0.582,1367 19.02,1368 16.297,1369 13.865,1370 0.447,1371 0.331,1372 10.18,1373 13.56,1374 9.961,1375 8.286,1376 13.865,1377 10.26,1378 11.736,1379 0.293,1380 0.19,1381 11.736,1382 7.59,1383 9.79,1384 0.196,1385 0.111,1386 9.79,1387 5.549,1388 7.899,1389 0.129,1390 0.063,1391 7.899,1392 3.869,1393 6.518,1394 0.086,1395 0.037,1396 6.518,1397 2.805,1398 0.234,1399 85.167,1400 0.214,1401 27.989,1402 0.349,1403 142,1404 313.268,1405 149.299,1406 316.668,1407 445.62,1408 300,1409 161,1410 336.265,1411 169.271,1412 345.2,1413 495.26,1414 326,1415 6.921}
{0 CHEMBL254302,1 1.828,2 8.222,3 0.974,4 0.949,5 71.157,6 8.624,7 0.333,8 3.611,9 3.736,10 3.281,11 3.034,12 4.728,13 3.022,14 4.161,15 4.366,16 3.69,17 3.393,18 5.354,19 3.364,20 4.362,21 4.552,22 3.58,23 3.6,24 5.394,25 3.471,26 4.556,27 4.864,28 3.753,29 3.458,30 5.551,31 3.306,32 4.193,33 4.426,34 3.246,35 3.083,36 5.314,37 3.028,38 3.745,39 3.86,40 3.528,41 2.928,42 5.403,43 2.955,44 3.889,45 4.109,46 2.913,47 2.974,48 5.024,49 2.871,50 3.827,51 4.088,52 2.943,53 3.046,54 4.672,55 2.875,56 0.093,57 0.45,58 6.154,59 2.713,60 6.379,61 3.683,62 0.541,63 0.637,64 16.065,65 4.025,66 36.016,67 5.911,68 0.394,69 0.737,70 19.13,71 6.598,72 30.192,73 8.755,74 0.635,75 0.641,76 35.257,77 7.786,78 60.766,79 11.09,80 0.714,81 0.414,82 23.963,83 4.728,84 59.472,85 5.73,86 0.47,87 0.389,88 11.509,89 2.981,90 47.568,91 3.703,92 0.389,93 0.424,94 12.031,95 3.143,96 49.385,97 4.25,98 0.25,99 0.4,100 16.465,101 4.043,102 21.821,103 5.666,104 43,105 25,106 0.348,107 0.628,108 0.716,109 0.716,110 0.716,111 0.716,112 2.958,113 1.048,114 1.24,115 1.03,116 0.71,121 32.4,126 3,127 2,144 2,146 1,149 2,161 1,179 1,180 4,183 2,185 2,187 3,194 1,206 4,209 1,211 2,214 3,221 1,226 1,231 2,232 4,253 2,271 1,279 2,281 376,282 10.964,283 10.964,284 10.964,285 10.964,286 10.964,287 10.008,288 15.503,289 6.476,290 11.649,291 8.911,292 8.911,293 8.911,294 8.911,295 8.911,296 7.435,297 21.324,298 3.132,299 10.085,300 3.259,301 1.79,302 1.332,303 1.332,304 1.332,305 1.332,306 3.579,309 2,311 1,312 1,313 288,314 3.808,318 68.196,325 1.444,326 20.108,329 1,330 0.83,331 1,332 0.9,333 1,334 1,335 1,336 0.96,337 40.167,338 148,339 4.177,340 3.657,341 6.394,342 4.002,343 3.099,344 3.817,345 2.186,346 9.951,347 2.798,348 4.099,349 3.481,350 5.707,351 3.711,352 2.796,353 3.101,354 1.2,355 8.061,356 2.554,357 3.667,358 3.131,359 5.129,360 3.259,361 2.356,362 2.887,363 0.366,364 6.357,365 2.085,366 3.232,367 2.623,368 4.632,369 2.721,370 1.879,371 2.481,373 4.98,374 1.561,375 3.181,376 2.265,377 4.618,378 2.688,379 1.823,380 2.379,382 4.963,383 1.415,384 2.199,385 1.837,386 3.481,387 2.039,388 1.102,389 1.162,391 2.409,392 1.018,393 1.194,394 0.642,395 2.927,396 0.867,397 -0.046,398 -0.05,400 -0.126,401 -0.042,402 1,403 0.335,404 2.453,405 0.626,406 -0.341,407 -0.425,409 -0.836,410 -0.229,411 0.926,412 0.23,413 2.382,414 0.46,415 -0.347,416 -0.445,418 -0.891,419 -0.27,420 0.695,421 0.173,422 2,423 0.18,424 -0.589,425 -0.687,427 -1.36,428 -0.383,429 0.123,430 -0.386,431 2,432 -0.1,433 -1,434 -1,436 -2.963,437 -0.9,439 -0.6,440 2,441 -0.1,442 -1,443 -1,445 -3,446 -0.9,448 -0.6,449 1.494,450 -0.313,451 -1.166,452 -1.403,454 -3,455 -1.05,456 -0.177,457 -0.876,458 1.26,459 -0.469,460 -1.306,461 -1.594,462 -0.4,463 -3.753,464 -1.149,465 -0.232,466 -1.235,467 1,468 -0.809,469 -1.532,470 -1.958,471 -0.4,472 -4.072,473 -1.176,474 8.795,475 0.489,476 0.74,477 0.041,478 20.25,479 1.125,480 8,481 0.444,482 12.25,483 0.681,484 14.268,485 0.793,486 21.505,487 0.632,488 14.153,489 0.786,490 4.281,491 0.238,492 3.979,493 0.221,494 0.371,495 0.045,496 0.227,501 0.79,502 1.998,503 0.571,504 1.176,505 0.62,506 1.068,507 0.778,508 0.818,509 0.58,510 0.549,511 0.373,512 0.617,513 0.915,514 1.38,515 0.922,516 1.243,517 0.881,518 1.345,519 0.571,520 0.784,521 0.378,522 0.682,523 0.637,524 0.626,525 2.002,526 0.357,527 1.039,528 0.489,529 1.911,530 0.568,531 0.569,532 1.505,533 0.632,534 1.436,535 1.001,536 1.132,537 1.581,538 0.924,539 0.849,540 0.683,541 2.546,542 0.999,543 0.679,544 0.901,545 1.105,546 0.974,547 0.474,548 0.971,549 6.5,550 0.037,551 1.333,552 1.563,553 0.693,554 0.618,555 0.223,556 0.231,557 0.132,558 0.194,559 2584,560 9102,561 1.805,562 47.1,564 15,567 1,572 1.581,573 1.624,574 3,575 -0.116,577 1,579 1,582 62.165,583 1.828,584 3.297,585 3.756,586 3.756,587 3.756,588 3.756,589 2.405,590 3.461,591 4.144,592 3.24,593 495.654,594 7.005,595 4973.73,596 1,597 1,600 172.974,601 1.772,602 4.03,603 0.361,604 0.004,605 0.053,606 0.078,607 0.036,608 0.041,609 0.013,610 0.023,611 0.012,612 0.022,613 0.644,614 0.67,615 1,616 2.15,617 78.3,618 -0.079,619 -0.607,620 0.012,621 -0.221,622 -0.076,623 -0.116,624 0.167,625 0.348,626 0.145,627 0.317,628 0.315,629 0.276,630 -0.113,631 -0.256,632 -0.17,633 -0.269,634 -0.162,635 -0.366,636 0.27,637 -0.034,638 0.46,639 0.219,640 0.244,641 0.368,642 -0.386,643 0.369,644 -0.055,645 0.397,646 -0.345,647 0.31,648 0.75,649 -0.366,650 0.24,651 -0.474,652 0.794,653 -0.223,654 -0.463,655 0.116,656 -0.192,657 0.141,658 -0.597,659 -0.139,660 -0.054,661 0.066,662 -0.072,663 0.052,664 -0.006,665 0.074,666 2.207,667 4.474,668 0.333,669 12.864,670 1.022,671 1.145,672 -2.473,673 6.115,674 0.657,675 2.944,676 3.258,677 3.178,678 3.367,679 3.367,680 3.434,681 2.996,682 3.135,683 2.833,684 2.944,685 5.37,686 0.621,687 293.2,688 2.944,689 4.466,690 5.209,691 6.071,692 6.83,693 7.692,694 8.457,695 9.319,696 10.088,697 10.95,698 8.8,705 1,708 1,712 1,715 2,716 1,720 3,722 6,737 1,740 2,741 34,743 7,745 18,747 34,748 11,749 5,756 1,757 1,758 2,772 6,773 5,777 1,782 1,786 1,789 1,790 1,793 16,794 4,795 1,796 7,797 2,802 3,803 1,807 1,808 1,809 2,822 1,829 1,859 1,864 3,865 2,868 18,876 2,877 1,878 1,883 1,892 2,893 5.9,896 1,898 1,901 11.083,902 6.986,903 3.875,904 1.921,907 1.197,908 1.214,909 0.873,910 5.5,911 6.788,912 3.135,913 3.651,914 3.887,915 4.38,916 4.716,917 4.813,918 4.362,919 4.717,920 4.114,921 4.251,922 1,923 20,924 6.591,926 2.594,927 0.026,929 8.022,931 12.192,933 9.038,936 2.522,937 45.389,938 0.001,941 176.567,942 66.503,943 34.796,944 78.297,945 36.145,948 66.503,949 291.009,950 34.796,951 25.189,952 24.709,953 18.952,954 41.93,955 13.757,956 91.203,957 176.567,959 176.567,960 101.299,961 36.145,962 78.297,964 176.567,965 36.145,968 24.709,969 59.804,970 16.786,971 78.297,972 176.567,973 70.941,974 144.8,977 176.567,978 22.361,979 44.142,980 18.011,981 131.228,982 176.567,983 70.941,984 144.8,986 0.588,987 0.263,988 0.132,989 0.063,990 10,991 6,992 0.147,993 5,995 1,996 2.955,997 110.429,999 6,1000 64.304,1005 15.344,1006 6.452,1007 6.721,1009 70.941,1010 2.989,1011 3.772,1015 0.878,1017 18.011,1018 392.307,1019 22,1024 11.474,1028 -0.54,1031 34.734,1032 38.916,1034 0.359,1035 0.648,1036 0.738,1037 0.738,1038 0.738,1039 0.738,1040 4.376,1041 -0.341,1042 5.273,1043 -0.126,1044 3.932,1045 4.331,1046 2.438,1047 6.028,1048 3.699,1049 5.603,1050 -0.347,1051 6.812,1052 -0.836,1053 3.892,1054 4.35,1055 2.014,1056 7.168,1057 3.509,1058 6.916,1059 -0.589,1060 8.453,1061 -0.891,1062 5.572,1063 6.392,1064 3.554,1065 9.933,1066 5.146,1067 8.25,1068 -1,1069 10.147,1070 -1.36,1071 6.176,1072 6.995,1073 3.656,1074 11.766,1075 5.614,1076 9.601,1077 -1,1078 11.875,1079 -2.963,1080 7.491,1081 8.697,1082 4.927,1083 14.185,1084 6.881,1085 10.964,1086 -1.166,1087 13.626,1088 -3,1089 8.369,1090 9.582,1091 5.307,1092 16.289,1093 7.634,1094 12.337,1095 -1.306,1096 15.394,1097 -3,1098 9.552,1099 11.137,1100 6.394,1101 18.608,1102 8.753,1103 3.099,1104 -1.532,1105 17.175,1106 -3.753,1107 10.556,1108 12.188,1109 6.935,1110 20.821,1111 9.638,1112 2.796,1113 9.951,1114 18.967,1115 -4.072,1116 11.69,1117 13.663,1118 7.904,1119 23.113,1120 10.694,1121 2.356,1122 8.061,1123 20.768,1124 3.817,1125 12.75,1126 14.819,1127 8.541,1128 25.37,1129 11.642,1130 1.879,1131 6.357,1132 22.578,1133 3.101,1134 13.867,1135 16.244,1136 9.436,1137 27.657,1138 12.672,1139 1.823,1140 4.98,1141 24.393,1142 2.887,1143 14.956,1144 17.467,1145 10.131,1146 29.934,1147 13.652,1148 1.102,1149 4.963,1150 26.214,1151 2.481,1152 16.069,1153 18.861,1154 10.982,1155 32.222,1156 14.671,1157 -0.046,1158 2.409,1159 28.04,1160 2.379,1161 17.171,1162 20.127,1163 11.71,1164 34.508,1165 15.668,1166 2809,1167 5518,1168 10.633,1169 22.352,1170 26.443,1171 27.775,1172 26.884,1173 26.305,1174 26.109,1175 31.655,1176 7.505,1177 73.44,1178 22.863,1179 5.101,1180 5.657,1181 5.87,1182 5.073,1183 5.099,1184 6.817,1185 3.889,1186 15.951,1187 4.736,1188 12.528,1189 1.469,1190 1.543,1191 1.494,1192 1.461,1193 1.451,1194 1.759,1195 0.417,1196 4.08,1197 1.27,1198 3.902,1199 3.951,1200 4.073,1201 3.781,1202 7.435,1203 3.788,1204 3.828,1205 3.895,1206 3.711,1207 3.592,1208 5.123,1209 3.607,1210 3.454,1211 3.476,1212 3.582,1213 3.133,1214 4.632,1215 3.185,1216 3.115,1217 3.193,1218 3.461,1219 2.868,1220 4.514,1221 2.877,1222 2.901,1223 3.009,1224 3.08,1225 2.849,1226 4.309,1227 2.815,1228 2.874,1229 3.009,1230 2.818,1231 2.618,1232 4.135,1233 2.57,1234 2.874,1235 2.918,1236 2.499,1237 2.618,1238 3.663,1239 2.57,1240 2.689,1241 2.718,1242 2.499,1243 2.465,1244 3.467,1245 2.49,1246 0.232,1247 0.203,1248 0.355,1249 0.222,1250 0.172,1251 4.177,1252 0.212,1253 3.657,1254 0.121,1255 6.394,1256 0.553,1257 4.002,1258 0.155,1259 3.099,1260 3.817,1261 2.186,1262 9.951,1263 2.798,1264 1.812,1265 1.784,1266 2.011,1267 2.042,1268 1.268,1269 2.039,1270 1.765,1271 1.682,1272 1.854,1273 1.943,1274 0.937,1275 1.929,1276 1.306,1277 1.262,1278 1.596,1279 1.626,1280 0.782,1281 1.599,1282 1.03,1283 0.97,1284 1.417,1285 1.34,1286 0.469,1287 1.321,1288 0.934,1289 0.827,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.934,1295 0.804,1296 1.17,1297 1.239,1298 0.105,1299 1.308,1300 0.849,1301 0.804,1302 1,1303 0.962,1304 0.092,1305 1.004,1306 0.533,1307 0.505,1308 0.869,1309 0.834,1311 0.826,1312 3.611,1314 4.92,1316 6.368,1318 7.885,1320 9.438,1322 6.053,1323 11.415,1328 1.063,1329 2.533,1330 5.029,1335 0.722,1340 21.1,1341 62.165,1342 112.113,1343 127.69,1344 127.69,1345 127.69,1346 127.69,1347 38.599,1348 5.591,1349 51.22,1350 51.22,1351 6,1352 11.52,1353 3,1354 2.322,1355 42.05,1356 58,1357 44,1358 0.361,1359 143.688,1360 247.36,1361 342.359,1362 1456,1363 5.9,1364 13.759,1365 0.764,1366 0.672,1367 14.759,1368 12.1,1369 8.26,1370 0.459,1371 0.349,1372 5.449,1373 7.196,1374 5.16,1375 4.383,1376 8.837,1377 6.286,1378 8.577,1379 0.343,1380 0.234,1381 9.394,1382 5.847,1383 4.636,1384 0.202,1385 0.108,1386 5.107,1387 2.482,1388 3.974,1389 0.142,1390 0.057,1391 4.768,1392 1.601,1393 2.317,1394 0.083,1395 0.027,1396 2.605,1397 0.751,1398 0.572,1399 59.139,1400 0.307,1401 18.477,1402 0.965,1403 86,1404 308.189,1405 130.311,1406 349.215,1407 437.19,1408 320,1409 91,1410 261.295,1411 121.718,1412 282.735,1413 405.04,1414 260,1415 4.191}
{0 CHEMBL255230,1 1.572,2 9.773,3 4.626,4 21.399,5 88.146,6 7.462,7 0.261,8 3.828,9 3.95,10 3.386,11 3.353,12 4.9,13 3.314,14 4.389,15 4.583,16 3.746,17 3.733,18 5.419,19 3.663,20 4.621,21 4.833,22 3.864,23 3.865,24 5.632,25 3.771,26 4.695,27 4.92,28 3.779,29 3.842,30 5.71,31 3.742,32 4.606,33 4.823,34 3.828,35 3.771,36 5.744,37 3.67,38 4.484,39 4.693,40 3.624,41 3.672,42 5.578,43 3.564,44 4.34,45 4.535,46 3.496,47 3.6,48 5.451,49 3.467,50 4.281,51 4.498,52 3.319,53 3.487,54 5.355,55 3.343,56 0.011,57 0.585,58 9.092,59 3.991,60 8.111,61 5.363,62 0.325,63 0.929,64 18.492,65 6.544,66 27.206,67 9.179,68 0.227,69 1.086,70 25.876,71 8.748,72 33.257,73 11.937,74 0.373,75 1.082,76 28.644,77 8.889,78 51.818,79 11.839,80 0.424,81 0.964,82 28.579,83 8.533,84 56.265,85 11.331,86 0.388,87 0.838,88 25.847,89 7.564,90 50.881,91 9.784,92 0.27,93 0.762,94 23.856,95 7.105,96 37.757,97 9.26,98 0.24,99 0.716,100 21.524,101 6.243,102 43.486,103 8.332,104 40,105 31,106 0.279,107 0.642,108 0.856,109 0.881,110 0.881,111 0.881,112 3.146,113 1.026,114 -4.52,115 -4.44,116 -4.18,121 39.5,122 1,123 3,126 1,127 2,129 1,142 1,143 1,144 2,145 2,146 2,161 1,176 7,179 3,180 2,185 3,187 7,192 4,197 4,200 6,206 5,211 1,214 4,219 10,222 1,227 6,232 2,237 1,239 5,244 5,247 2,251 5,256 1,264 5,269 2,274 1,277 4,281 664,282 14.723,283 14.723,284 14.723,285 14.723,286 14.723,287 13.634,288 20.461,289 8.924,290 15.113,291 11.258,292 11.258,293 11.258,294 11.258,295 11.258,296 9.427,297 24.844,298 4.097,299 11.931,300 3.854,301 1.802,302 0.593,303 0.454,304 0.454,305 0.454,306 3.804,308 1,311 1,312 1,313 434,314 3.808,317 52.995,318 58.765,321 93.401,325 1.43,326 22.507,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 47.333,338 215,339 4.455,340 3.786,341 6.587,342 4.12,343 3.146,344 4.106,345 2.208,346 10.513,347 3.071,348 3.981,349 3.412,350 6.046,351 3.699,352 2.773,353 3.263,354 0.911,355 8.63,356 2.538,357 3.749,358 3.044,359 5.772,360 3.428,361 2.51,362 2.968,363 0.655,364 7.619,365 2.265,366 3.497,367 2.512,368 5.127,369 2.94,370 1.974,371 2.364,372 0.44,373 5.996,374 1.902,375 3.168,376 2.253,377 4.446,378 2.541,379 1.612,380 2.083,381 0.13,382 4.296,383 1.477,384 2.766,385 2.141,386 4.059,387 2.424,388 1.443,389 1.692,391 3.457,392 1.4,393 2.64,394 1.918,395 3.638,396 2.267,397 1.291,398 1.601,400 2.574,401 1.242,402 2.095,403 1.356,404 3.431,405 1.923,406 0.981,407 1.048,409 2.289,410 0.892,411 1.861,412 1.024,413 2.957,414 1.69,415 0.713,416 0.775,418 1.245,419 0.688,420 1.802,421 0.708,422 2.653,423 1.252,424 0.32,425 0.417,427 0.573,428 0.285,429 1.208,430 0.516,431 2.566,432 0.801,433 -0.135,434 -0.169,436 -0.279,437 -0.117,438 0.865,439 0.175,440 2.297,441 0.403,442 -0.486,443 -0.575,445 -0.895,446 -0.374,447 0.59,448 -0.305,449 2,450 0.369,451 -0.593,452 -0.633,454 -1.31,455 -0.565,456 0.421,457 -0.387,458 1.92,459 0.189,460 -0.793,461 -1.013,463 -1.769,464 -0.766,465 0.241,466 -0.522,467 1.515,468 -0.107,469 -1.07,470 -1.405,472 -2.541,473 -0.963,474 10.681,475 0.485,476 0.524,477 0.024,478 23.75,479 1.08,480 10,481 0.455,482 13.75,483 0.625,484 20.139,485 0.915,486 24.719,487 0.575,488 16.785,489 0.763,490 4.574,491 0.208,492 5.988,493 0.272,494 0.239,496 0.318,501 0.745,502 1.443,503 0.683,504 1.113,505 0.609,506 1.028,507 0.654,508 0.983,509 0.708,510 0.839,511 0.457,512 0.875,513 0.845,514 1.206,515 0.834,516 1.102,517 0.669,518 1.021,519 1.532,520 0.924,521 0.958,522 0.844,523 1.427,524 0.894,525 1.183,526 0.999,527 1.023,528 1.03,529 1.241,530 0.965,531 1.694,532 0.864,533 1.26,534 0.913,535 1.625,536 0.937,537 1.24,538 1.094,539 1.676,540 1.329,541 1.357,542 1.25,543 1.423,544 1.056,545 1.522,546 1.157,547 1.608,548 1.17,549 4.5,550 0.053,551 2.889,552 1.542,553 1.324,554 0.726,555 0.508,556 0.396,557 0.214,558 0.1,559 4368,560 12114,561 1.944,562 48.8,563 5,564 10,565 1,567 1,569 4,572 1.647,573 1.784,574 3.261,575 -0.31,582 67.604,583 1.572,584 3.624,585 4.833,586 4.973,587 4.973,588 4.973,589 2.716,590 4.278,591 4.423,592 3.363,593 776.826,594 7.617,595 8561.02,597 1,600 233.329,601 1.529,602 4.365,603 0.196,604 0.007,605 0.093,606 0.048,607 0.046,608 0.026,609 0.021,610 0.019,611 0.013,612 0.009,613 0.477,614 0.33,615 1,616 2.037,617 101.25,618 -0.023,619 -0.202,620 0.023,621 -0.084,622 -0.019,623 -0.028,624 0.236,625 0.16,626 0.086,627 0.116,628 0.158,629 0.082,630 0.084,631 -0.177,632 0.077,633 -0.118,634 0.078,635 -0.041,636 -0.213,637 0.051,638 -0.016,639 0.099,640 -0.175,641 0.043,642 0.1,643 -0.048,644 0.079,645 -0.037,646 0.041,647 0.002,648 -0.23,649 0.073,650 -0.091,651 0.093,652 -0.249,653 0.025,654 -0.073,655 -0.107,656 -0.295,657 -0.254,658 -0.155,659 -0.244,660 -0.257,661 -0.068,662 -0.278,663 -0.139,664 -0.186,665 -0.194,666 2.06,667 5.011,668 0.409,669 18.76,670 1,671 1.128,672 3.287,673 10.803,674 0.66,675 3.178,676 3.466,677 3.714,678 3.932,679 4.127,680 4.22,681 4.317,682 4.382,683 4.248,684 4.143,685 5.588,686 0.618,687 320.85,688 3.178,689 4.691,690 5.525,691 6.392,692 7.258,693 8.136,694 9.015,695 9.9,696 10.785,697 11.674,698 4.7,700 1,705 1,715 2,720 4,722 6,737 1,740 1,741 43,743 8,744 1,745 23,747 44,748 17,749 6,750 4,751 2,756 2,757 3,758 1,763 1,767 3,770 4,771 2,772 7,773 8,777 1,782 1,786 1,790 1,793 21,794 4,795 1,796 5,797 1,802 2,808 0.5,809 2,828 1,829 1,832 1,836 1,837 1,853 1,859 1,864 2,865 1,868 22,876 5,877 1,878 1,880 1,881 1,885 1,886 1,891 1,892 1,893 4.7,896 1,898 1,901 12.333,902 8.26,903 5.111,904 2.761,907 1.475,908 1.224,909 0.927,910 5.988,911 8.044,912 3.401,913 3.861,914 4.321,915 4.786,916 5.289,917 5.516,918 5.756,919 5.972,920 5.934,921 5.914,922 0.857,923 32,924 8.13,926 3.318,927 0.026,929 7.808,931 15.528,933 12.337,936 2.308,937 50.778,940 1,941 235.422,942 110.219,943 21.135,944 39.149,945 36.145,948 110.219,949 310.715,950 21.135,951 17.222,952 14.939,953 36.963,954 25.145,955 26.115,956 58.885,957 223.651,958 39.149,959 235.422,960 131.354,961 36.145,962 39.149,964 188.338,965 83.229,968 41.775,969 72.548,970 56.179,972 235.422,973 57.28,974 149.367,977 235.422,978 33.693,979 39.298,980 35.041,981 98.615,982 235.422,983 57.28,984 149.367,986 0.564,987 0.331,988 0.172,989 0.097,990 13,991 7,992 0.136,993 6,994 1,995 1.222,996 3.337,997 162.298,998 0.222,999 9,1000 98.107,1005 16.985,1006 7.756,1007 4.097,1009 57.28,1010 3.743,1015 3.166,1017 18.011,1018 442.069,1019 29,1024 12.011,1028 -0.394,1031 43.018,1032 48.511,1034 0.29,1035 0.668,1036 0.891,1037 0.916,1038 0.916,1039 0.916,1040 4.649,1041 0.981,1042 5.509,1043 2.574,1044 4.143,1045 4.543,1046 2.503,1047 6.315,1048 4.03,1049 5.833,1050 0.713,1051 7.072,1052 2.289,1053 3.761,1054 4.369,1055 1.847,1056 7.222,1057 3.56,1058 7.129,1059 0.32,1060 8.739,1061 1.245,1062 5.727,1063 6.606,1064 3.569,1065 10.316,1066 5.516,1067 8.458,1068 -0.135,1069 10.463,1070 0.573,1071 6.176,1072 7.264,1073 3.656,1074 12.035,1075 5.897,1076 9.818,1077 -0.486,1078 12.223,1079 -0.279,1080 7.616,1081 9.013,1082 4.964,1083 14.64,1084 7.326,1085 11.2,1086 -0.593,1087 14.007,1088 -0.895,1089 8.435,1090 10.046,1091 5.37,1092 16.7,1093 8.102,1094 12.599,1095 -0.793,1096 15.807,1097 -1.31,1098 9.674,1099 11.608,1100 6.459,1101 19.133,1102 9.327,1103 3.146,1104 -1.07,1105 17.62,1106 -1.769,1107 10.659,1108 12.822,1109 7.028,1110 21.346,1111 10.285,1112 2.773,1113 10.513,1114 19.442,1115 -2.541,1116 11.821,1117 14.304,1118 7.994,1119 23.717,1120 11.434,1121 2.51,1122 8.63,1123 21.271,1124 4.106,1125 12.882,1126 15.61,1127 8.654,1128 26,1129 12.476,1130 1.974,1131 7.619,1132 23.107,1133 3.263,1134 14.018,1135 17.056,1136 9.549,1137 28.35,1138 13.598,1139 1.612,1140 5.996,1141 24.948,1142 2.968,1143 15.114,1144 18.41,1145 10.263,1146 30.667,1147 14.679,1148 1.443,1149 4.296,1150 26.793,1151 2.364,1152 16.243,1153 19.838,1154 11.116,1155 33.012,1156 15.794,1157 1.291,1158 3.457,1159 28.642,1160 2.083,1161 17.358,1162 21.218,1163 11.862,1164 35.345,1165 16.893,1166 4576,1167 7731,1168 14.622,1169 28.392,1170 34.809,1171 35.279,1172 35.604,1173 33.698,1174 33.525,1175 40.634,1176 8.689,1177 94.387,1178 31.518,1179 5.35,1180 5.786,1181 6.449,1182 5.199,1183 5.146,1184 7.106,1185 3.912,1186 17.362,1187 5.071,1188 13.129,1189 1.513,1190 1.534,1191 1.548,1192 1.465,1193 1.458,1194 1.767,1195 0.378,1196 4.104,1197 1.37,1198 4.036,1199 4.061,1200 4.069,1201 3.971,1202 7.433,1203 3.968,1204 3.724,1205 3.79,1206 3.648,1207 3.515,1208 5.432,1209 3.522,1210 3.58,1211 3.632,1212 3.598,1213 3.45,1214 4.958,1215 3.448,1216 3.428,1217 3.477,1218 3.376,1219 3.305,1220 4.433,1221 3.295,1222 3.322,1223 3.393,1224 3.234,1225 3.104,1226 4.331,1227 3.113,1228 3.024,1229 3.081,1230 2.991,1231 2.874,1232 4.165,1233 2.865,1234 2.922,1235 2.974,1236 2.828,1237 2.621,1238 3.937,1239 2.647,1240 2.749,1241 2.868,1242 2.736,1243 2.563,1244 3.872,1245 2.553,1246 0.194,1247 0.165,1248 0.286,1249 0.179,1250 0.137,1251 4.455,1252 0.179,1253 3.786,1254 0.096,1255 6.587,1256 0.457,1257 4.12,1258 0.134,1259 3.146,1260 4.106,1261 2.208,1262 10.513,1263 3.071,1264 1.889,1265 1.877,1266 1.955,1267 1.978,1268 1.188,1269 1.973,1270 1.669,1271 1.598,1272 1.93,1273 1.888,1274 1.182,1275 1.903,1276 1.635,1277 1.575,1278 1.854,1279 1.818,1280 1.171,1281 1.835,1282 1.431,1283 1.381,1284 1.655,1285 1.614,1286 0.728,1287 1.63,1288 1.323,1289 1.251,1290 1.639,1291 1.566,1292 0.713,1293 1.597,1294 1.054,1295 1.018,1296 1.291,1297 1.278,1298 0.423,1299 1.264,1300 0.846,1301 0.794,1302 1.224,1303 1.131,1304 0.407,1305 1.183,1306 0.795,1307 0.692,1308 1.063,1309 1.072,1310 0.144,1311 1.075,1312 3.85,1314 5.142,1315 2.398,1316 6.627,1317 4.727,1318 8.209,1319 6.823,1320 9.849,1322 3.721,1323 6.237,1328 3.957,1329 3.3,1330 5.425,1332 0.189,1333 1.539,1337 5.3,1339 2.583,1340 26.568,1341 67.604,1342 155.843,1343 207.82,1344 213.82,1345 213.82,1346 213.82,1347 45.139,1348 6.569,1349 41.57,1350 41.57,1351 11,1352 12.205,1353 3.17,1354 2.807,1355 42.152,1356 72,1357 81,1358 0.293,1359 171.403,1360 305.99,1361 409.983,1362 5136,1363 2.3,1364 16.113,1365 0.732,1366 0.625,1367 16.613,1368 13.743,1369 10.562,1370 0.459,1371 0.342,1372 7.419,1373 9.915,1374 7.147,1375 5.987,1376 10.851,1377 7.863,1378 9.091,1379 0.293,1380 0.189,1381 9.462,1382 5.854,1383 7.492,1384 0.187,1385 0.102,1386 7.845,1387 4.085,1388 5.774,1389 0.115,1390 0.058,1391 6.061,1392 2.902,1393 4.528,1394 0.074,1395 0.03,1396 4.86,1397 1.808,1398 0.453,1399 69.055,1400 0.262,1401 21.658,1402 0.822,1403 108,1404 323.652,1405 134.075,1406 341.068,1407 447.26,1408 316,1409 125,1410 298.645,1411 147.834,1412 312.339,1413 455.78,1414 291,1415 4.358}
{0 CHEMBL255231,1 1.461,2 9.1,3 3.438,4 11.818,5 78.817,6 6.809,7 0.286,8 3.756,9 3.883,10 3.24,11 3.257,12 4.832,13 3.224,14 4.307,15 4.507,16 3.563,17 3.623,18 5.337,19 3.561,20 4.521,21 4.739,22 3.593,23 3.747,24 5.493,25 3.659,26 4.599,27 4.822,28 3.49,29 3.712,30 5.632,31 3.61,32 4.522,33 4.777,34 3.381,35 3.6,36 5.515,37 3.489,38 4.264,39 4.476,40 3.26,41 3.501,42 5.295,43 3.397,44 4.267,45 4.506,46 3.167,47 3.419,48 5.306,49 3.288,50 4.168,51 4.43,52 2.914,53 3.246,54 5.147,55 3.106,56 0.023,57 0.557,58 8.992,59 3.668,60 8.323,61 5.072,62 0.332,63 0.88,64 16.851,65 5.783,66 26.75,67 8.428,68 0.151,69 1.024,70 20.899,71 7.519,72 25.75,73 10.7,74 0.305,75 1.017,76 23.435,77 7.776,78 49.974,79 10.804,80 0.335,81 0.917,82 21.951,83 7.22,84 44.936,85 10.25,86 0.171,87 0.773,88 16.241,89 5.976,90 27.51,91 8.29,92 0.202,93 0.758,94 16.421,95 5.965,96 31.254,97 8.489,98 0.191,99 0.665,100 15.195,101 4.899,102 36.214,103 7.206,104 30,105 28,106 0.263,107 0.643,108 0.858,109 0.879,110 0.879,111 0.879,112 3.057,113 0.983,114 -3.77,115 -3.73,116 -3.55,121 40,122 1,123 2,126 1,127 2,129 1,142 1,143 1,144 3,145 2,146 1,161 1,176 7,179 3,180 3,185 3,187 8,192 2,197 4,200 6,206 7,211 1,214 3,219 6,222 1,224 1,227 5,232 2,239 6,244 5,247 2,251 4,256 1,264 2,269 2,274 1,277 2,281 474,282 13.516,283 13.516,284 13.516,285 13.516,286 13.516,287 12.479,288 20.096,289 8.119,290 13.835,291 10.242,292 10.242,293 10.242,294 10.242,295 10.242,296 8.499,297 24.298,298 3.714,299 10.693,300 3.861,301 1.753,302 0.557,303 0.438,304 0.438,305 0.438,306 3.714,310 1,311 1,312 1,313 368,314 3.606,317 46.42,318 52.019,321 82.392,325 1.42,326 17.684,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 43,338 182,339 4.382,340 3.774,341 6.547,342 4.083,343 3.096,344 3.981,345 2.208,346 10.365,347 3.058,348 3.94,349 3.357,350 5.91,351 3.665,352 2.738,353 3.161,354 0.911,355 8.134,356 2.517,357 3.553,358 2.648,359 5.27,360 3.225,361 2.275,362 2.775,363 0.655,364 6.598,365 2.155,366 3.48,367 2.49,368 5.092,369 2.937,370 1.972,371 2.329,372 0.44,373 5.909,374 1.9,375 3.141,376 2.144,377 4.171,378 2.438,379 1.456,380 2.006,381 0.13,382 3.576,383 1.427,384 2.583,385 2.12,386 3.84,387 2.27,388 1.3,389 1.532,391 2.912,392 1.248,393 2.519,394 1.375,395 3.451,396 2.16,397 1.169,398 1.446,400 2.551,401 1.15,402 2.02,403 0.996,404 3.199,405 1.728,406 0.741,407 0.887,409 1.629,410 0.729,411 1.699,412 0.679,413 2.74,414 1.186,415 0.231,416 0.288,418 0.379,419 0.219,420 1.202,421 0.44,422 2.437,423 1.11,424 0.143,425 0.156,427 0.201,428 0.137,429 1.138,430 0.351,431 2.26,432 0.733,433 -0.24,434 -0.305,436 -0.546,437 -0.229,438 0.617,439 -0.278,440 2,441 0.205,442 -0.775,443 -1.004,445 -1.675,446 -0.752,447 0.577,448 -0.52,449 1.929,450 0.141,451 -0.858,452 -1.16,454 -2.401,455 -0.855,456 0.163,457 -0.775,458 1.59,459 -0.148,460 -1.137,461 -1.36,463 -2.708,464 -1.118,465 -0.187,466 -0.896,467 1.289,468 -0.368,469 -1.305,470 -1.471,472 -2.836,473 -1.223,474 9.467,475 0.473,476 0.435,477 0.022,478 22.5,479 1.125,480 10,481 0.5,482 12.5,483 0.625,484 16.013,485 0.801,486 22.333,487 0.558,488 15.585,489 0.779,490 4.508,491 0.225,492 5.143,493 0.257,494 0.194,496 0.306,501 0.803,502 1.442,503 0.875,504 1.22,505 0.633,506 1.076,507 0.686,508 0.961,509 0.895,510 0.906,511 0.459,512 0.91,513 0.999,514 1.172,515 0.974,516 1.133,517 0.711,518 1.058,519 1.637,520 1.039,521 1.182,522 1.037,523 1.491,524 1.052,525 1.364,526 0.824,527 0.97,528 0.822,529 1.389,530 0.846,531 1.249,532 1.062,533 1.111,534 1.067,535 1.137,536 1.077,537 0.837,538 1.1,539 1.024,540 1.158,541 1.103,542 1.132,543 1.244,544 0.973,545 1.114,546 0.955,547 1.547,548 1.004,549 4,550 0.033,551 2.444,552 1.229,553 0.893,554 0.479,555 0.426,556 0.333,557 0.177,558 0.085,559 3442,560 8788,561 1.966,562 50,563 2,564 11,565 1,567 1,569 5,572 1.618,573 1.818,574 3.179,575 -0.32,577 1,579 1,582 58.439,583 1.461,584 3.569,585 4.765,586 4.884,587 4.884,588 4.884,589 2.709,590 3.846,591 4.287,592 3.286,593 624.28,594 7.331,595 6429.6,596 1,597 1,598 1,599 1,600 212.877,601 1.485,602 4.237,603 0.19,604 0.007,605 0.087,606 0.044,607 0.037,608 0.022,609 0.021,610 0.02,611 0.014,612 0.011,613 0.452,614 0.67,615 1,616 1.893,617 89.008,618 -0.014,619 -0.214,620 0.048,621 -0.103,622 -0.024,623 -0.032,624 0.297,625 0.176,626 0.078,627 0.093,628 0.165,629 0.065,630 -0.038,631 -0.137,632 -0.009,633 -0.126,634 0.028,635 -0.069,636 -0.219,637 -0.079,638 -0.161,639 -0.07,640 -0.161,641 -0.104,642 -0.07,643 0.096,644 0.047,645 0.128,646 -0.104,647 0.105,648 -0.16,649 -0.055,650 -0.138,651 -0.047,652 -0.167,653 -0.086,654 0.102,655 -0.121,656 -0.06,657 -0.167,658 -0.03,659 -0.148,660 -0.165,661 -0.013,662 -0.121,663 -0.018,664 -0.127,665 -0.056,666 2.001,667 4.759,668 0.45,669 16.34,670 0.995,671 1.129,672 2.538,673 6.441,674 0.644,675 3.091,676 3.367,677 3.611,678 3.807,679 3.97,680 4.043,681 4.159,682 4.248,683 4.078,684 3.951,685 5.311,686 0.605,687 272.38,688 3.091,689 4.595,690 5.425,691 6.282,692 7.14,693 8.009,694 8.878,695 9.753,696 10.628,697 11.506,698 5,700 1,705 1,715 3,720 3,722 6,737 1,741 40,743 8,744 1,745 21,747 41,748 16,749 6,750 3,751 3,756 2,757 3,763 1,767 3,770 3,771 2,772 7,773 7,777 1,782 1,786 1,789 1,790 1,793 20,794 4,795 1,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,836 1,837 1,853 1,859 1,864 2,868 20,876 4,877 1,878 1,880 1,881 1,885 1,886 1,891 1,893 5,896 1,898 1,901 11,902 7.7,903 4.667,904 2.524,907 1.482,908 1.232,909 0.928,910 4.917,911 7.865,912 3.332,913 3.773,914 4.223,915 4.676,916 5.144,917 5.341,918 5.638,919 5.88,920 5.731,921 5.758,922 1,923 28,924 7.38,926 2.987,927 0.026,929 7.775,931 14.15,933 11.188,936 2.275,937 45.5,938 0.001,941 223.651,942 113.66,943 21.135,945 36.145,948 113.66,949 259.796,950 21.135,951 17.222,952 12.405,953 46.439,954 25.145,955 22.614,956 58.885,957 211.88,959 223.651,960 134.795,961 36.145,964 164.795,965 95,968 39.241,969 78.523,970 17.031,972 223.651,973 57.28,974 113.66,977 223.651,978 27.658,979 48.775,980 35.041,981 59.466,982 223.651,983 57.28,984 113.66,986 0.563,987 0.333,988 0.165,989 0.088,990 12,991 6,992 0.122,993 5,994 1,995 1.222,996 3.202,997 140.574,998 0.222,999 9,1000 86.439,1005 14.741,1006 6.671,1007 3.472,1009 57.28,1010 5.823,1015 3.066,1017 18.011,1018 394.591,1019 27,1024 11.759,1028 -0.335,1031 39.811,1032 45.152,1034 0.275,1035 0.671,1036 0.895,1037 0.918,1038 0.918,1039 0.918,1040 4.57,1041 0.741,1042 5.398,1043 2.551,1044 4.043,1045 4.454,1046 2.503,1047 6.184,1048 3.964,1049 5.744,1050 0.231,1051 6.948,1052 1.629,1053 3.611,1054 4.182,1055 1.847,1056 7.066,1057 3.489,1058 7.029,1059 0.143,1060 8.6,1061 0.379,1062 5.609,1063 6.48,1064 3.569,1065 10.14,1066 5.456,1067 8.347,1068 -0.24,1069 10.31,1070 0.201,1071 6.019,1072 7.04,1073 3.656,1074 11.855,1075 5.835,1076 9.694,1077 -0.775,1078 12.057,1079 -0.546,1080 7.474,1081 8.832,1082 4.964,1083 14.44,1084 7.267,1085 11.062,1086 -0.858,1087 13.83,1088 -1.675,1089 8.263,1090 9.779,1091 5.37,1092 16.505,1093 8.041,1094 12.447,1095 -1.137,1096 15.622,1097 -2.401,1098 9.506,1099 11.365,1100 6.459,1101 18.924,1102 9.267,1103 3.096,1104 -1.305,1105 17.427,1106 -2.708,1107 10.471,1108 12.509,1109 7.028,1110 21.142,1111 10.224,1112 2.738,1113 10.365,1114 19.243,1115 -2.836,1116 11.63,1117 13.997,1118 7.994,1119 23.502,1120 11.372,1121 2.275,1122 8.134,1123 21.069,1124 3.981,1125 12.675,1126 15.246,1127 8.654,1128 25.786,1129 12.412,1130 1.972,1131 6.598,1132 22.901,1133 3.161,1134 13.803,1135 16.685,1136 9.549,1137 28.127,1138 13.533,1139 1.456,1140 5.909,1141 24.74,1142 2.775,1143 14.885,1144 17.991,1145 10.263,1146 30.44,1147 14.612,1148 1.3,1149 3.576,1150 26.583,1151 2.329,1152 16.004,1153 19.404,1154 11.116,1155 32.776,1156 15.725,1157 1.169,1158 2.912,1159 28.431,1160 2.006,1161 17.105,1162 20.742,1163 11.862,1164 35.102,1165 16.822,1166 3604,1167 5832,1168 13.523,1169 25.773,1170 31.489,1171 31.515,1172 32.439,1173 30.268,1174 30.24,1175 37.121,1176 8.689,1177 84.509,1178 29.079,1179 5.271,1180 5.774,1181 6.409,1182 5.153,1183 5.096,1184 6.981,1185 3.912,1186 17.023,1187 5.058,1188 11.16,1189 1.499,1190 1.501,1191 1.545,1192 1.441,1193 1.44,1194 1.768,1195 0.414,1196 4.024,1197 1.385,1198 4.032,1199 4.061,1200 3.971,1201 3.962,1202 7.433,1203 3.96,1204 3.693,1205 3.756,1206 3.602,1207 3.458,1208 5.432,1209 3.477,1210 3.567,1211 3.627,1212 3.459,1213 3.425,1214 4.811,1215 3.427,1216 3.395,1217 3.445,1218 3.266,1219 3.277,1220 4.339,1221 3.267,1222 3.193,1223 3.274,1224 3.018,1225 2.953,1226 4.19,1227 2.957,1228 3.014,1229 3.08,1230 2.85,1231 2.86,1232 3.992,1233 2.847,1234 2.92,1235 2.972,1236 2.694,1237 2.621,1238 3.74,1239 2.641,1240 2.732,1241 2.815,1242 2.557,1243 2.533,1244 3.643,1245 2.527,1246 0.209,1247 0.18,1248 0.312,1249 0.194,1250 0.147,1251 4.382,1252 0.19,1253 3.774,1254 0.105,1255 6.547,1256 0.494,1257 4.083,1258 0.146,1259 3.096,1260 3.981,1261 2.208,1262 10.365,1263 3.058,1264 1.894,1265 1.876,1266 1.987,1267 1.989,1268 1.187,1269 1.986,1270 1.636,1271 1.575,1272 1.872,1273 1.861,1274 1.174,1275 1.864,1276 1.604,1277 1.53,1278 1.855,1279 1.819,1280 1.038,1281 1.836,1282 1.43,1283 1.379,1284 1.652,1285 1.58,1286 0.728,1287 1.609,1288 1.193,1289 1.124,1290 1.568,1291 1.472,1292 0.623,1293 1.506,1294 1.06,1295 0.998,1296 1.282,1297 1.283,1298 0.442,1299 1.277,1300 0.842,1301 0.793,1302 1.102,1303 1.131,1304 0.164,1305 1.124,1306 0.728,1307 0.665,1308 1.037,1309 0.96,1310 0.132,1311 0.995,1312 3.761,1314 5.043,1315 2.398,1316 6.521,1317 4.727,1318 8.089,1319 6.823,1320 9.71,1322 3.622,1328 3.229,1329 3.315,1330 5.364,1332 0.253,1333 1.529,1337 5.284,1339 2.592,1340 24.214,1341 58.439,1342 142.764,1343 190.612,1344 195.367,1345 195.367,1346 195.367,1347 33.906,1348 6.384,1349 41.57,1350 41.57,1351 11,1352 12.044,1353 3.17,1354 2.807,1355 36.418,1356 64,1357 67,1358 0.294,1359 153.478,1360 273.48,1361 366.246,1362 4092,1364 14.535,1365 0.727,1366 0.599,1367 14.535,1368 11.979,1369 9.651,1370 0.46,1371 0.328,1372 6.783,1373 9.281,1374 6.559,1375 5.494,1376 9.651,1377 6.879,1378 8.181,1379 0.292,1380 0.176,1381 8.181,1382 4.919,1383 6.919,1384 0.192,1385 0.101,1386 6.919,1387 3.637,1388 5.136,1389 0.117,1390 0.053,1391 5.136,1392 2.346,1393 3.918,1394 0.075,1395 0.029,1396 3.918,1397 1.492,1398 0.454,1399 60.416,1400 0.272,1401 19.955,1402 0.819,1403 98,1404 285.449,1405 108.555,1406 274.678,1407 369.41,1408 256,1409 113,1410 266.782,1411 122.977,1412 270.179,1413 391.64,1414 252,1415 4.281}
{0 CHEMBL25629,1 1.492,2 10.545,3 0.11,4 0.012,5 119.631,6 7.348,7 0.162,8 4.241,9 4.334,10 3.781,11 3.756,12 5.35,13 3.746,14 4.848,15 4.987,16 4.275,17 4.256,18 5.902,19 4.236,20 5.273,21 5.422,22 4.547,23 4.574,24 6.352,25 4.536,26 5.587,27 5.786,28 4.62,29 4.702,30 6.767,31 4.628,32 5.633,33 5.865,34 4.487,35 4.655,36 6.711,37 4.557,38 5.534,39 5.774,40 4.383,41 4.45,42 6.712,43 4.379,44 5.25,45 5.442,46 4.182,47 4.19,48 6.626,49 4.148,50 4.944,51 5.153,52 3.856,53 3.962,54 6.127,55 3.896,56 0.132,57 0.834,58 13.333,59 6.519,60 27.823,61 7.824,62 0.384,63 1.458,64 26.343,65 11.576,66 69.195,67 14.48,68 0.64,69 2.116,70 41.671,71 17.227,72 104.403,73 21.59,74 1.613,75 2.646,76 62.488,77 22.169,78 241.86,79 29.284,80 1.323,81 2.684,82 67.504,83 22.689,84 227.633,85 30.74,86 1.658,87 2.276,88 63.954,89 19.158,90 258.016,91 25.924,92 1.772,93 1.688,94 47.684,95 13.753,96 251.452,97 17.409,98 0.819,99 1.33,100 33.997,101 10.665,102 119.853,103 13.974,104 66,105 60,106 0.241,107 0.611,108 0.804,109 0.883,110 0.904,111 0.904,112 3.533,113 0.92,114 -2.97,115 -2.97,116 -2.87,121 40.3,122 3,123 3,124 2,125 2,127 1,129 2,132 1,137 1,138 1,140 2,144 2,145 1,147 2,158 1,160 1,176 10,179 1,180 12,185 4,187 17,192 5,195 1,197 8,200 16,205 6,206 15,210 1,211 7,214 15,219 9,222 1,224 10,227 8,231 2,232 14,236 2,237 1,239 8,244 7,247 6,249 5,251 6,255 1,256 5,261 1,264 8,269 2,272 5,274 3,277 7,281 1571,282 21.553,283 21.553,284 21.553,285 21.553,286 21.553,287 20.189,288 20.335,289 11.685,290 21.863,291 18.042,292 18.042,293 18.042,294 18.042,295 18.042,296 15.862,297 25.357,298 5.333,299 18.583,300 4.462,301 2.175,302 0.981,303 0.488,304 0.359,305 0.359,306 4.229,311 1,312 1,313 761,314 3.873,318 311.085,322 277.878,325 1.835,326 65.884,329 1,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.98,337 73.5,338 348,339 4.943,340 4.162,341 8.34,342 4.903,343 3.915,344 4.149,345 1.674,346 16.653,347 3.871,348 4.591,349 3.765,350 7.829,351 4.482,352 3.506,353 3.837,354 1.277,355 14.37,356 3.421,357 4.352,358 3.609,359 7.197,360 4.052,361 3.075,362 3.625,363 0.86,364 11.79,365 3.001,366 4.078,367 3.359,368 6.739,369 3.946,370 2.97,371 3.385,373 10.836,374 2.884,375 3.979,376 3.029,377 6.138,378 3.7,379 2.711,380 2.993,382 8.982,383 2.672,384 3.427,385 2.899,386 5.838,387 3.085,388 2.09,389 2.672,391 6.94,392 2.068,393 3.275,394 2.55,395 5.252,396 2.926,397 1.967,398 2.366,400 5.938,401 1.873,402 3.154,403 2.161,404 5.074,405 2.817,406 1.857,407 2.262,409 5.285,410 1.769,411 2.919,412 1.959,413 4.779,414 2.673,415 1.712,416 1.919,418 4.577,419 1.631,420 2.632,421 1.925,422 4.46,423 2.499,424 1.529,425 1.629,427 4.116,428 1.467,429 2.589,430 1.262,431 4.233,432 2.052,433 1.09,434 1.553,436 2.679,437 1.042,438 2.5,439 1.249,440 3.932,441 1.955,442 1,443 1.5,445 2.136,446 0.952,447 1.794,448 1.132,449 3.528,450 1.71,451 0.786,452 0.788,454 2.044,455 0.717,456 1.535,457 1,458 3.437,459 1.405,460 0.438,461 0.451,463 1.117,464 0.419,465 1.397,466 0.85,467 3.345,468 1.112,469 0.197,470 0.199,472 0.341,473 0.175,474 15.233,475 0.462,476 1.286,477 0.039,478 33.25,479 1.008,480 12,481 0.364,482 21.25,483 0.644,484 44.355,485 1.344,486 37.567,487 0.606,488 29.227,489 0.886,490 5.8,491 0.176,492 9.758,493 0.296,494 0.208,495 0.098,496 0.328,501 0.828,502 1.169,503 0.806,504 1.102,505 0.791,506 0.975,507 0.747,508 1.036,509 0.743,510 1.007,511 0.662,512 0.894,513 0.929,514 1.203,515 0.959,516 1.206,517 0.793,518 1.11,519 0.88,520 1.034,521 0.978,522 1.069,523 0.899,524 1.055,525 1.012,526 1.031,527 0.997,528 1.048,529 1.077,530 1.027,531 1.219,532 0.812,533 0.942,534 0.819,535 1.281,536 0.819,537 1.554,538 0.85,539 1.221,540 0.851,541 1.53,542 0.944,543 1.376,544 0.991,545 1.142,546 0.958,547 1.421,548 0.992,549 10,550 0.173,551 6.889,552 5.25,553 4.507,554 2.514,555 1.362,556 0.837,557 0.505,558 0.258,559 12831,560 34994,561 2.036,562 46.8,563 9,564 7,566 2,567 3,568 1,569 7,572 1.759,573 1.825,574 3.304,575 0.832,577 1,582 92.531,583 1.492,584 3.779,585 4.974,586 5.466,587 5.595,588 5.595,589 2.923,590 4.658,591 5.012,592 3.467,593 1830.66,594 8.817,595 24528.8,600 369.16,601 1.863,602 4.918,603 0.27,604 0.01,605 0.115,606 0.07,607 0.06,608 0.039,609 0.024,610 0.019,611 0.015,612 0.01,613 0.631,614 0.5,615 0.88,616 0.801,617 168.48,618 -0.085,619 0.036,620 0.024,621 0.072,622 -0.101,623 0.073,624 0.019,625 0.099,626 0.131,627 0.108,628 0.013,629 0.143,630 -0.047,631 -0.122,632 -0.051,633 -0.123,634 -0.021,635 -0.093,636 0.105,637 -0.053,638 -0.004,639 -0.065,640 0.077,641 -0.062,642 -0.057,643 -0.094,644 -0.003,645 -0.076,646 -0.053,647 -0.035,648 -0.043,649 0.077,650 0.114,651 0.101,652 -0.053,653 0.136,654 -0.052,655 0.06,656 -0.135,657 0.067,658 -0.016,659 -0.036,660 -0.192,661 -0.04,662 -0.115,663 -0.009,664 -0.174,665 -0.042,666 2.52,667 6.923,668 0.727,669 30.007,670 1.012,671 1.125,672 1.737,673 3.016,674 0.643,675 3.638,676 4.111,677 4.511,678 4.868,679 5.187,680 5.429,681 5.617,682 5.826,683 6.028,684 6.155,685 6.044,686 0.619,687 455.55,688 3.638,689 5.273,690 6.205,691 7.174,692 8.127,693 9.104,694 10.065,695 11.049,696 12.015,697 13.002,698 1.6,708 1,715 4,716 1,720 1,722 6,741 62,743 10,745 37,747 66,748 25,749 5,752 6,756 5,757 11,763 4,764 2,766 2,767 5,768 3,770 5,772 11,773 14,774 3,777 4,782 2,784 1,786 5,790 1,793 29,794 8,795 3,796 8,802 1,808 0.4,809 7,810 1,811 2,822 1,829 5,833 3,841 1,846 1,849 3,850 1,857 3,858 1,859 2,864 3,868 33,875 3,876 4,878 2,880 4,882 3,893 11.3,894 3,896 2,897 1,898 1,901 18.083,902 11.717,903 6.931,904 3.756,907 1.675,908 1.192,909 0.865,910 5.059,911 10.403,912 3.807,913 4.388,914 4.925,915 5.436,916 5.887,917 6.199,918 6.546,919 6.892,920 7.231,921 7.518,922 1,923 75,924 12.605,926 6.105,927 0.026,929 8.018,931 23.345,933 21.218,936 2.518,937 83.083,941 306.049,942 109.786,943 16.786,945 200.34,948 109.786,949 506.388,950 16.786,951 26.476,952 7.604,953 156.479,954 124.429,955 35.466,957 282.506,959 306.049,960 126.571,961 200.34,964 223.651,965 143.687,966 139.05,968 52.174,969 37.648,970 36.749,972 306.049,973 217.125,974 109.786,977 306.049,978 36.786,979 72.999,981 217.125,982 306.049,983 217.125,984 109.786,986 0.618,987 0.397,988 0.216,989 0.118,990 34,991 16,992 0.03,993 2,994 3,995 1.25,996 3.907,997 358.158,998 0.25,999 24,1000 166.465,1005 22.578,1006 7.395,1007 2.986,1009 217.125,1010 6.586,1011 4.04,1015 0.567,1017 128.05,1018 632.959,1019 44,1024 26.921,1026 1.511,1028 -1.052,1031 62.763,1032 69.777,1034 0.251,1035 0.635,1036 0.835,1037 0.918,1038 0.94,1039 0.94,1040 5.179,1041 1.857,1042 6.315,1043 5.938,1044 4.796,1045 5.075,1046 2.429,1047 7.365,1048 4.742,1049 6.44,1050 1.712,1051 8.044,1052 5.285,1053 4.89,1054 5.139,1056 8.998,1057 4.833,1058 7.83,1059 1.529,1060 9.893,1061 4.577,1062 6.706,1063 7.204,1064 3.142,1065 12.176,1066 6.619,1067 9.252,1068 1.09,1069 11.816,1070 4.116,1071 7.576,1072 7.992,1074 14.571,1075 7.484,1076 10.708,1077 1,1078 13.784,1079 2.679,1080 9.002,1081 9.644,1082 4,1083 17.427,1084 8.89,1085 12.186,1086 0.786,1087 15.784,1088 2.136,1089 10.158,1090 10.733,1092 20.072,1093 10.037,1094 13.682,1095 0.438,1096 17.805,1097 2.044,1098 11.489,1099 12.236,1100 4.937,1101 22.861,1102 11.354,1103 3.915,1104 0.197,1105 19.843,1106 1.117,1107 12.75,1108 13.466,1110 25.594,1111 12.605,1112 3.506,1113 16.653,1114 21.893,1115 0.341,1116 14.068,1117 14.908,1118 5.916,1119 28.375,1120 13.911,1121 3.075,1122 14.37,1123 23.953,1124 4.149,1125 15.371,1126 16.21,1128 31.143,1129 15.205,1130 2.97,1131 11.79,1132 26.021,1133 3.837,1134 16.694,1135 17.626,1136 6.918,1137 33.929,1138 16.518,1139 2.711,1140 10.836,1141 28.094,1142 3.625,1143 18.018,1144 18.968,1146 36.713,1147 17.832,1148 2.09,1149 8.982,1150 30.174,1151 3.385,1152 19.35,1153 20.373,1154 7.932,1155 39.506,1156 19.154,1157 1.967,1158 6.94,1159 32.257,1160 2.993,1161 20.685,1162 21.739,1164 42.299,1165 20.48,1166 12218,1167 20298,1168 23.463,1169 39.847,1170 58.683,1171 61.567,1172 62.954,1173 57.718,1174 57.803,1175 66.781,1176 7.624,1177 195.914,1178 56.035,1179 5.943,1180 6.162,1181 8.142,1182 6.005,1183 5.915,1184 7.149,1185 3.349,1186 26.176,1187 5.871,1188 20.215,1189 1.586,1190 1.664,1191 1.701,1192 1.56,1193 1.562,1194 1.805,1195 0.206,1196 5.295,1197 1.514,1198 4.107,1199 4.127,1200 4.05,1201 4.011,1202 7.445,1203 4.014,1204 3.922,1205 3.946,1206 3.866,1207 3.824,1208 7.413,1209 3.831,1210 3.785,1211 3.808,1212 3.723,1213 3.659,1214 6.466,1215 3.671,1216 3.588,1217 3.614,1218 3.502,1219 3.443,1220 6.448,1221 3.45,1222 3.452,1223 3.511,1224 3.302,1225 3.301,1226 6.439,1227 3.29,1228 3.242,1229 3.313,1230 3.133,1231 3.063,1232 4.941,1233 3.067,1234 3.232,1235 3.27,1236 3.064,1237 3.051,1238 4.722,1239 3.042,1240 3.088,1241 3.145,1242 2.958,1243 2.893,1244 4.418,1245 2.885,1246 0.134,1247 0.112,1248 0.225,1249 0.133,1250 0.106,1251 4.943,1252 0.112,1253 4.162,1254 0.045,1255 8.34,1256 0.45,1257 4.903,1258 0.105,1259 3.915,1260 4.149,1261 1.674,1262 16.653,1263 3.871,1264 2.045,1265 2.023,1266 2.178,1267 2.16,1268 1.637,1269 2.164,1270 1.885,1271 1.864,1272 1.977,1273 2.009,1274 1.223,1275 1.999,1276 1.739,1277 1.715,1278 1.886,1279 1.895,1280 1.045,1281 1.89,1282 1.543,1283 1.514,1284 1.736,1285 1.722,1286 1.026,1287 1.71,1288 1.455,1289 1.395,1290 1.686,1291 1.652,1292 0.831,1293 1.681,1294 1.246,1295 1.172,1296 1.586,1297 1.482,1298 0.778,1299 1.518,1300 1.188,1301 1.143,1302 1.511,1303 1.428,1304 0.685,1305 1.449,1306 1.069,1307 1.006,1308 1.355,1309 1.295,1310 0.439,1311 1.313,1312 4.317,1314 5.753,1316 7.414,1318 9.185,1320 11.016,1322 5.459,1327 32.184,1328 0.899,1330 11.797,1332 -2.974,1334 -2.855,1340 38.4,1341 92.531,1342 234.292,1343 308.366,1344 338.896,1345 346.896,1346 346.896,1347 108.362,1348 8.728,1349 130.09,1350 130.09,1351 30,1352 13.472,1353 3.459,1354 3,1355 47.579,1356 121,1357 141,1358 0.204,1359 227.888,1360 422.41,1361 547.807,1362 73138,1364 23.759,1365 0.72,1366 0.574,1367 23.759,1368 18.946,1369 15.558,1370 0.42,1371 0.307,1372 11.19,1373 14.913,1374 10.851,1375 8.858,1376 15.558,1377 11.348,1378 15.485,1379 0.258,1380 0.175,1381 15.485,1382 10.491,1383 14.365,1384 0.16,1385 0.097,1386 14.365,1387 8.704,1388 12.532,1389 0.097,1390 0.053,1391 12.532,1392 6.835,1393 10.205,1394 0.057,1395 0.028,1396 10.205,1397 5.038,1398 0.306,1399 98.445,1400 0.206,1401 29.494,1402 0.606,1403 194,1404 563.036,1405 214.542,1406 524.886,1407 704.82,1408 488,1409 247,1410 507.991,1411 268.875,1412 508.723,1413 765.66,1414 478,1415 4.456}
{0 CHEMBL257540,1 1.36,2 18.442,3 4.043,4 16.349,5 180.136,6 6.567,7 0.596,8 4.542,9 4.686,10 3.996,11 4.076,12 5.551,13 4.028,14 5.079,15 5.276,16 4.298,17 4.471,18 5.987,19 4.389,20 5.36,21 5.602,22 4.41,23 4.642,24 6.194,25 4.531,26 5.448,27 5.7,28 4.425,29 4.698,30 6.259,31 4.572,32 5.495,33 5.741,34 4.453,35 4.773,36 6.29,37 4.636,38 5.591,39 5.857,40 4.424,41 4.798,42 6.385,43 4.643,44 5.593,45 5.869,46 4.324,47 4.735,48 6.399,49 4.561,50 5.552,51 5.855,52 4.135,53 4.599,54 6.326,55 4.403,56 0.125,57 1.287,58 20.761,59 8.004,60 17.746,61 11.596,62 0.281,63 2.04,64 36.324,65 13.33,66 31.341,67 19.563,68 0.356,69 2.553,70 48.473,71 17.578,72 43.189,73 26.221,74 0.586,75 2.737,76 53.404,77 19.425,78 50.264,79 28.649,80 0.385,81 2.891,82 55.188,83 21.253,84 41.663,85 31.272,86 0.444,87 3.093,88 61.23,89 22.59,90 55.002,91 33.786,92 0.443,93 3.036,94 61.571,95 22.149,96 65.849,97 33.488,98 0.636,99 2.813,100 59.976,101 20.399,102 73.677,103 31.267,104 11,105 62,106 0.202,107 0.496,108 0.662,109 0.783,110 0.839,111 0.875,112 3.787,113 0.988,114 -4.95,115 -4.86,116 -4.55,121 40.9,123 3,126 1,127 7,144 15,145 5,146 3,148 2,165 2,166 2,167 2,176 17,180 2,185 10,187 21,189 9,192 2,197 4,200 18,203 8,206 1,209 1,210 2,211 4,213 2,214 22,216 6,217 1,224 4,226 1,227 23,229 5,230 1,232 1,237 15,239 19,241 8,249 15,251 12,253 9,259 1,260 2,261 9,263 2,264 10,266 3,273 2,274 4,276 3,277 7,279 1,280 1,281 4724,282 29.924,283 29.924,284 29.924,285 29.924,286 29.924,287 26.602,288 34.676,289 18.57,290 30.44,291 23.245,292 23.245,293 23.245,294 23.245,295 23.245,296 18.242,297 43.775,298 8.867,299 23.977,300 5.1,301 3.121,302 2.007,303 1.194,304 0.813,305 0.571,306 4.496,313 1731,314 4.416,318 618.121,322 382.737,325 2.608,326 22.74,329 0.5,330 0.5,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.51,337 90,338 793,339 4.839,340 3.417,341 7.141,342 4.369,343 3.393,344 4.905,345 0.86,346 12.515,347 3.314,348 4.192,349 3.133,350 6.325,351 3.805,352 2.837,353 3.884,354 0.657,355 9.493,356 2.746,357 4.167,358 2.758,359 6.129,360 3.736,361 2.744,362 3.8,363 0.4,364 8.98,365 2.721,366 4.053,367 2.679,368 6.102,369 3.599,370 2.624,371 3.689,372 0.4,373 8.753,374 2.557,375 3.602,376 2.309,377 5.245,378 3.179,379 2.209,380 3.068,382 6.315,383 2.141,384 3.577,385 2.267,386 5.021,387 3.146,388 2.172,389 3,391 5.986,392 2.108,393 3.347,394 2.23,395 4.881,396 2.901,397 1.949,398 2.697,400 5.405,401 1.878,402 2.995,403 2.13,404 4.415,405 2.892,406 1.908,407 2.121,409 4.362,410 1.85,411 2.926,412 1.961,413 4.22,414 2.767,415 1.818,416 2.076,418 3.894,419 1.723,420 2.917,421 1.952,422 4.073,423 2.611,424 1.663,425 1.982,427 3.632,428 1.576,429 2.835,430 1.718,431 3.943,432 2.471,433 1.508,434 1.94,436 3.331,437 1.447,438 2.775,439 1.517,440 3.805,441 2.439,442 1.447,443 1.802,445 3.204,446 1.431,447 2.677,448 1.431,449 3.694,450 2.36,451 1.368,452 1.75,454 3.082,455 1.357,456 2.585,457 1.331,458 3.628,459 2.201,460 1.228,461 1.6,463 2.966,464 1.195,465 2.5,466 1.2,467 3.516,468 2.143,469 1.168,470 1.5,472 2.744,473 1.134,474 20.733,475 0.482,476 0.692,477 0.016,478 53.25,479 1.238,480 26.5,481 0.616,482 26.75,483 0.622,484 42.355,485 0.985,486 46.767,487 0.531,488 44.52,489 1.035,490 10.642,491 0.247,492 10.51,493 0.244,494 0.063,496 0.26,501 1.152,502 1.229,503 0.962,504 1.05,505 1.209,506 0.993,507 1.338,508 1.123,509 1.05,510 1.017,511 0.862,512 1.009,513 1.039,514 1.052,515 0.945,516 0.967,517 0.863,518 0.946,519 1.034,520 0.892,521 0.988,522 0.921,523 0.801,524 0.947,525 0.807,526 1.077,527 1.006,528 1.07,529 0.715,530 1.058,531 0.897,532 1.068,533 1.036,534 1.054,535 0.896,536 1.054,537 0.889,538 1.164,539 1.059,540 1.12,541 1.085,542 1.105,543 0.927,544 0.96,545 1.039,546 0.982,547 1.213,548 1.01,549 5,550 0.136,551 3.556,552 2.438,553 2.427,554 1.326,555 1.01,556 0.528,557 0.352,558 0.184,559 39057,560 82438,561 2.114,562 51.1,564 32,567 7,570 6,572 1.81,573 2.031,574 3.964,575 3.575,582 119.67,583 1.36,584 3.338,585 4.452,586 5.265,587 5.647,588 5.888,589 3.275,590 5.24,591 5.394,592 4.331,593 3910.52,594 9.501,595 80458.2,600 568.43,601 1.154,602 5.381,603 0.106,604 0.004,605 0.057,606 0.036,607 0.036,608 0.019,609 0.015,610 0.009,611 0.008,612 0.005,613 0.296,615 0.63,616 0.52,617 256.031,618 -0.074,619 0.013,620 0.039,621 0.044,622 -0.115,623 0.053,624 -0.146,625 0.016,626 -0.043,627 0.023,628 -0.002,629 0.003,630 -0.042,631 0.004,632 0.048,633 0.042,634 0.017,635 0.053,636 0.057,637 0.146,638 0.011,639 0.075,640 0.032,641 0.043,642 -0.018,643 -0.046,644 -0.034,645 -0.04,646 0.015,647 -0.04,648 -0.064,649 -0.061,650 -0.059,651 -0.053,652 -0.012,653 -0.055,654 -0.036,655 -0.179,656 -0.079,657 -0.136,658 -0.007,659 -0.117,660 0.045,661 -0.002,662 -0.046,663 -0.042,664 -0.043,665 -0.052,666 0.898,667 2.293,668 0.605,669 67.791,670 0.985,671 1.128,672 3.723,673 13.861,674 0.652,675 3.871,676 4.143,677 4.431,678 4.736,679 5.043,680 5.176,681 5.347,682 5.485,683 5.595,684 5.553,685 11.185,686 0.604,687 577.87,688 3.871,689 5.389,690 6.232,691 7.102,692 7.978,693 8.869,694 9.763,695 10.667,696 11.574,697 12.487,698 6.8,700 3,702 2,708 1,714 4,715 15,720 6,721 1,722 28,733 2,739 1,741 88,743 28,744 4,745 47,747 92,748 36,749 25,750 9,751 15,756 5,757 8,770 3,772 25,773 11,793 45,794 6,795 7,796 7,802 6,803 1,808 0.6,809 1,822 1,829 5,833 2,853 3,859 3,864 1,868 43,869 2,876 10,877 3,878 1,893 1.1,898 1,901 21.167,902 15.333,903 9.806,904 5.375,907 5.289,908 1.609,909 1.007,910 11.367,911 13.968,912 4.127,913 4.723,914 5.371,915 6.05,916 6.737,917 7.178,918 7.715,919 8.214,920 8.68,921 8.941,922 1,923 68,924 15.885,926 6.533,927 0.026,929 7.469,931 31.364,933 25.643,936 1.969,937 84.667,941 447.302,942 205.118,943 121.726,945 11,948 205.118,949 458.302,950 121.726,951 10.883,952 22.344,953 261.97,954 1.899,955 40.748,957 447.302,959 447.302,960 326.844,961 11,964 376.675,965 81.626,968 81.277,969 243.668,970 1.899,972 447.302,973 132.726,974 205.118,977 447.302,978 52.091,979 154.926,980 54.032,981 76.794,982 447.302,983 132.726,984 205.118,986 0.558,987 0.325,988 0.187,989 0.111,990 26,991 11,992 0.174,993 16,994 2,995 1.154,996 5.397,997 419.505,998 0.154,999 26,1000 229.329,1005 30.923,1006 15.806,1007 8.107,1008 4.699,1009 130.827,1010 31.198,1015 6.037,1016 2.425,1017 119.827,1018 785.146,1019 61,1031 86.668,1032 99.296,1034 0.211,1035 0.517,1036 0.689,1037 0.815,1038 0.874,1039 0.912,1040 5.333,1041 1.908,1042 6.176,1043 5.405,1044 4.828,1045 5.412,1046 1.382,1047 6.974,1048 4.772,1049 6.515,1050 1.818,1051 7.713,1052 4.362,1053 4.205,1054 5.173,1056 7.897,1057 4.123,1058 7.812,1059 1.663,1060 9.365,1061 3.894,1062 6.378,1063 7.676,1064 0.944,1065 11.087,1066 6.276,1067 9.156,1068 1.508,1069 11.092,1070 3.632,1071 6.686,1072 8.379,1074 12.954,1075 6.557,1076 10.542,1077 1.447,1078 12.872,1079 3.331,1080 8.253,1081 10.309,1082 0.687,1083 15.665,1084 8.109,1085 11.961,1086 1.368,1087 14.688,1088 3.204,1089 9.028,1090 11.465,1092 17.91,1093 8.856,1094 13.405,1095 1.228,1096 16.531,1097 3.082,1098 10.349,1099 13.167,1100 0.513,1101 20.478,1102 10.161,1103 3.393,1104 1.168,1105 18.393,1106 2.966,1107 11.354,1108 14.546,1110 22.88,1111 11.138,1112 2.837,1113 12.515,1114 20.272,1115 2.744,1116 12.584,1117 16.161,1118 0.387,1119 25.407,1120 12.349,1121 2.744,1122 9.493,1123 22.162,1124 4.905,1125 13.696,1126 17.648,1128 27.877,1129 13.435,1130 2.624,1131 8.98,1132 24.062,1133 3.884,1134 14.899,1135 19.234,1136 0.293,1137 30.396,1138 14.617,1139 2.209,1140 8.753,1141 25.971,1142 3.8,1143 16.063,1144 20.773,1146 32.896,1147 15.755,1148 2.172,1149 6.315,1150 27.887,1151 3.689,1152 17.262,1153 22.353,1154 0.221,1155 35.416,1156 16.932,1157 1.949,1158 5.986,1159 29.808,1160 3.068,1161 18.45,1162 23.917,1164 37.93,1165 18.096,1166 36661,1167 53393,1168 32.186,1169 57.336,1170 67.914,1171 68.482,1172 70.04,1173 67.846,1174 67.866,1175 89.07,1176 4.635,1177 185.976,1178 65.844,1179 5.813,1180 5.417,1181 7.094,1182 5.412,1183 5.393,1184 7.905,1185 1.72,1186 20.515,1187 5.314,1188 16.672,1189 1.445,1190 1.457,1191 1.49,1192 1.444,1193 1.444,1194 1.895,1195 0.099,1196 3.957,1197 1.401,1198 4.226,1199 4.252,1200 4.197,1201 4.163,1202 5.167,1203 4.168,1204 3.935,1205 3.967,1206 3.869,1207 3.855,1208 5.086,1209 3.854,1210 3.858,1211 3.888,1212 3.79,1213 3.807,1214 4.866,1215 3.8,1216 3.771,1217 3.841,1218 3.693,1219 3.677,1220 4.822,1221 3.676,1222 3.746,1223 3.794,1224 3.611,1225 3.58,1226 4.666,1227 3.577,1228 3.652,1229 3.728,1230 3.505,1231 3.48,1232 4.404,1233 3.475,1234 3.53,1235 3.607,1236 3.383,1237 3.363,1238 4.376,1239 3.355,1240 3.348,1241 3.435,1242 3.22,1243 3.158,1244 4.28,1245 3.163,1246 0.103,1247 0.073,1248 0.152,1249 0.093,1250 0.072,1251 4.839,1252 0.104,1253 3.417,1254 0.018,1255 7.141,1256 0.266,1257 4.369,1258 0.071,1259 3.393,1260 4.905,1261 0.86,1262 12.515,1263 3.314,1264 2.176,1265 2.156,1266 2.228,1267 2.254,1268 1.447,1269 2.248,1270 1.907,1271 1.882,1272 2.03,1273 2.018,1274 1.276,1275 2.023,1276 1.869,1277 1.842,1278 1.99,1279 1.948,1280 1.215,1281 1.961,1282 1.751,1283 1.715,1284 1.973,1285 1.944,1286 1.148,1287 1.961,1288 1.726,1289 1.656,1290 1.9,1291 1.872,1292 1.1,1293 1.884,1294 1.643,1295 1.57,1296 1.855,1297 1.839,1298 1.063,1299 1.85,1300 1.528,1301 1.456,1302 1.796,1303 1.731,1304 0.926,1305 1.756,1306 1.297,1307 1.225,1308 1.574,1309 1.562,1310 0.721,1311 1.565,1312 4.554,1314 5.838,1316 7.332,1318 8.943,1320 10.628,1322 1.721,1326 12.582,1328 9.872,1329 10.712,1330 5.421,1340 53.116,1341 119.67,1342 293.755,1343 391.813,1344 463.336,1345 496.92,1346 518.165,1347 70.88,1348 8.679,1349 101.24,1350 101.24,1351 30,1352 13.003,1353 4.858,1354 3.907,1355 72.313,1356 284,1357 309,1358 0.117,1359 327.297,1360 556.85,1361 790.365,1362 99589,1364 29.857,1365 0.694,1366 0.588,1367 29.857,1368 25.294,1369 21.152,1370 0.45,1371 0.329,1372 15.322,1373 20.602,1374 14.974,1375 12.495,1376 21.152,1377 15.482,1378 17.81,1379 0.287,1380 0.179,1381 17.81,1382 11.129,1383 14.921,1384 0.18,1385 0.097,1386 14.921,1387 8.039,1388 12.702,1389 0.112,1390 0.052,1391 12.702,1392 5.93,1393 10.941,1394 0.071,1395 0.028,1396 10.941,1397 4.366,1398 0.194,1399 130.643,1400 0.176,1401 39.369,1402 0.291,1403 218,1404 477.691,1405 229.843,1406 479.637,1407 676.09,1408 454,1409 254,1410 507.433,1411 266.482,1412 524.571,1413 764.15,1414 495,1415 6.021}
{0 CHEMBL258893,1 1.475,2 9.038,3 3.671,4 13.474,5 97.27,6 7.918,7 0.7,8 3.933,9 4.012,10 3.574,11 3.477,12 5.046,13 3.488,14 4.476,15 4.606,16 3.963,17 3.888,18 5.54,19 3.898,20 4.573,21 4.68,22 4.095,23 4.083,24 5.651,25 4.064,26 4.75,27 4.892,28 4.092,29 4.154,30 5.771,31 4.108,32 4.859,33 5.04,34 3.983,35 4.142,36 5.821,37 4.061,38 4.822,39 5.038,40 3.793,41 4,42 5.727,43 3.895,44 4.694,45 4.941,46 3.527,47 3.757,48 5.549,49 3.648,50 4.396,51 4.626,52 3.243,53 3.475,54 5.269,55 3.362,56 0.042,57 0.573,58 8.085,59 4.212,60 6.542,61 4.74,62 0.443,63 0.96,64 17.529,65 6.891,66 24.215,67 7.59,68 0.237,69 1.092,70 16.633,71 8.255,72 14.665,73 9.638,74 0.269,75 1.309,76 21.361,77 9.808,78 19.162,79 11.777,80 0.445,81 1.433,82 26.489,83 11.083,84 30.12,85 13.74,86 0.388,87 1.37,88 27.301,89 10.881,90 31.28,91 14.053,92 0.458,93 1.167,94 26.622,95 9.513,96 34.563,97 12.289,98 0.287,99 0.842,100 19.045,101 7.31,102 24.517,103 9.305,104 14,105 45,106 0.251,107 0.532,108 0.708,109 0.794,110 0.836,111 0.867,112 3.306,113 0.851,114 -3.83,115 -3.79,116 -3.6,121 47.7,126 3,128 1,144 6,145 5,146 4,147 1,148 1,176 10,179 1,180 4,187 12,189 3,191 1,192 8,200 12,203 4,206 6,208 1,214 9,216 3,219 5,221 2,227 7,229 1,232 6,234 1,239 4,244 7,251 1,256 6,268 1,269 2,281 814,282 18.118,283 18.118,284 18.118,285 18.118,286 18.118,287 15.763,288 16.996,289 10.22,290 18.694,291 14.684,292 14.684,293 14.684,294 14.684,295 14.684,296 10.831,297 18.28,298 4.631,299 15.417,300 3.984,301 2.337,302 1.302,303 0.796,304 0.551,305 0.37,306 4.02,310 1,311 1,312 1,313 531,314 2.739,317 39.051,318 140.697,321 62.057,322 173.324,325 1.583,326 17.772,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 56.5,338 235,339 4.85,340 3.452,341 7.069,342 4.353,343 3.373,344 4.981,345 1.392,346 12.208,347 3.307,348 4.501,349 3.328,350 6.654,351 4.04,352 3.071,353 4.396,354 0.86,355 10.692,356 2.979,357 4.167,358 3.105,359 6.234,360 3.749,361 2.806,362 3.785,363 0.86,364 9.329,365 2.638,366 3.8,367 2.592,368 5.941,369 3.37,370 2.406,371 3.288,372 0.532,373 8.2,374 2.305,375 3.651,376 2.308,377 5.552,378 3.17,379 2.22,380 3.141,382 6.925,383 2.105,384 3.383,385 2.254,386 5.247,387 2.921,388 1.957,389 2.756,391 6.151,392 1.881,393 3.083,394 2.031,395 4.713,396 2.635,397 1.68,398 2.322,400 4.97,401 1.601,402 2.893,403 1.823,404 4.442,405 2.449,406 1.496,407 2.049,409 3.996,410 1.419,411 2.531,412 1.682,413 4.093,414 2.134,415 1.189,416 1.541,418 3.23,419 1.119,420 2.212,421 1.421,422 3.498,423 2.088,424 1.098,425 1.191,427 2.451,428 1.081,429 2.033,430 1.207,431 3.46,432 1.734,433 0.855,434 0.975,436 1.721,437 0.744,438 1.741,439 0.972,440 3.206,441 1.377,442 0.456,443 0.555,445 1.027,446 0.413,447 1.515,448 0.592,449 3.068,450 1.207,451 0.308,452 0.361,454 0.548,455 0.275,456 1.261,457 0.158,458 2.847,459 0.847,460 -0.096,461 -0.121,463 -0.209,464 -0.09,465 1.19,466 0.057,467 2.62,468 0.773,469 -0.188,470 -0.262,472 -0.46,473 -0.179,474 12.233,475 0.471,476 0.637,477 0.024,478 36.75,479 1.413,480 19,481 0.731,482 17.75,483 0.683,484 19.48,485 0.749,486 27.067,487 0.615,488 27.409,489 1.054,490 7.499,491 0.288,492 5.208,493 0.2,494 0.123,496 0.441,501 0.872,502 1.242,503 0.688,504 1.096,505 0.861,506 0.899,507 1.362,508 0.628,509 0.805,510 0.534,511 1.166,512 0.541,513 0.752,514 1.12,515 0.814,516 1.025,517 0.676,518 0.951,519 0.842,520 1.204,521 1.01,522 1.152,523 0.831,524 1.121,525 0.893,526 1.105,527 1.124,528 1.123,529 0.997,530 1.162,531 0.832,532 1.118,533 1.081,534 1.154,535 0.912,536 1.164,537 1.097,538 0.827,539 1.033,540 0.884,541 1.065,542 0.928,543 1.062,544 1.027,545 1.079,546 1.1,547 1.106,548 1.1,549 4.5,550 0.091,551 3.556,552 2.257,553 2.564,554 1.167,555 0.755,556 0.336,557 0.225,558 0.127,559 7457,560 19446,561 2.192,562 40.9,564 15,565 2,566 1,572 1.695,573 2.053,574 3.158,575 -0.798,577 1,582 64.918,583 1.475,584 3.123,585 4.158,586 4.664,587 4.908,588 5.09,589 2.763,590 4.239,591 4.671,592 3.277,593 1065.01,594 8.12,595 12276.9,597 1,599 1,600 240.215,601 1.399,602 4.635,603 0.15,604 0.009,605 0.079,606 0.044,607 0.052,608 0.028,609 0.023,610 0.013,611 0.012,612 0.009,613 0.42,614 0.67,615 0.88,616 0.825,617 123.135,618 -0.027,619 -0.199,620 0.09,621 -0.121,622 -0.076,623 -0.017,624 -0.133,625 0.417,626 0.121,627 0.421,628 -0.085,629 0.348,630 0.035,631 -0.093,632 -0.009,633 -0.042,634 0.073,635 -0.038,636 -0.048,637 -0.178,638 -0.152,639 -0.18,640 -0.053,641 -0.189,642 -0.042,643 -0.105,644 -0.192,645 -0.15,646 -0.131,647 -0.195,648 -0.013,649 -0.14,650 -0.096,651 -0.178,652 -0.038,653 -0.158,654 -0.103,655 0.127,656 0.042,657 0.094,658 -0.028,659 0.102,660 -0.068,661 -0.116,662 -0.025,663 -0.105,664 -0.046,665 -0.067,666 1.227,667 2.127,668 0.808,669 19.947,670 1.01,671 1.111,672 2.605,673 6.783,674 0.689,675 3.434,676 3.829,677 4.234,678 4.605,679 4.92,680 5.13,681 5.38,682 5.609,683 5.787,684 5.889,685 5.325,686 0.667,687 348.4,688 3.434,689 5.017,690 5.932,691 6.864,692 7.794,693 8.731,694 9.667,695 10.607,696 11.545,697 12.486,698 2.3,708 1,714 6,715 7,720 4,721 1,722 21,739 4,741 44,743 21,744 3,745 30,747 48,748 21,749 17,750 10,751 6,756 5,757 15,772 17,773 4,789 1,790 1,793 18,794 4,796 5,802 1,803 1,808 0.2,809 4,822 1,828 1,829 4,832 1,833 3,859 1,864 3,868 26,876 1,878 4,893 9.1,898 4,901 12.667,902 9.25,903 5.667,904 2.535,907 4.796,908 1.569,909 1.045,910 3.535,911 13.228,912 3.726,913 4.483,914 5.265,915 6.022,916 6.756,917 7.328,918 7.947,919 8.547,920 9.112,921 9.537,922 1,923 51,924 9.569,926 4.139,927 0.026,929 7.583,931 18.479,933 15.562,936 2.083,937 54.167,940 1,941 211.88,942 138.7,943 1.899,945 44,948 138.7,949 255.879,950 1.899,951 30.162,952 6.65,953 56.857,954 13.67,955 89.03,956 23.542,957 176.567,959 211.88,960 140.599,961 44,964 211.88,965 44,968 17.842,969 120.859,970 1.899,972 211.88,973 45.899,974 138.7,977 211.88,978 42.633,979 97.966,981 44,982 211.88,983 45.899,984 138.7,986 0.59,987 0.38,988 0.225,989 0.123,990 26,991 11,992 0.042,993 2,994 4,995 1.381,996 3.653,997 250.47,998 0.381,999 21,1000 122.211,1005 15.821,1006 5.809,1007 2.233,1008 6.679,1009 44,1010 14.484,1015 3.056,1016 2.129,1018 396.479,1019 40.5,1031 44.422,1032 48.865,1034 0.27,1035 0.572,1036 0.762,1037 0.854,1038 0.899,1039 0.932,1040 4.992,1041 1.496,1042 5.948,1043 4.97,1044 4.511,1045 5.17,1046 2.128,1047 6.866,1048 4.429,1049 6.257,1050 1.189,1051 7.57,1052 3.996,1053 4.205,1054 5.247,1056 7.949,1057 4.094,1058 7.624,1059 1.098,1060 9.291,1061 3.23,1062 6.205,1063 7.616,1064 2.384,1065 11.117,1066 6.064,1067 9.033,1068 0.855,1069 11.071,1070 2.451,1071 6.735,1072 8.524,1074 13.011,1075 6.564,1076 10.474,1077 0.456,1078 12.886,1079 1.721,1080 8.202,1081 10.384,1082 2.844,1083 15.708,1084 8.015,1085 11.938,1086 0.308,1087 14.726,1088 1.027,1089 9.102,1090 11.664,1092 17.935,1093 8.888,1094 13.42,1095 -0.096,1096 16.584,1097 0.548,1098 10.378,1099 13.339,1100 3.412,1101 20.479,1102 10.15,1103 3.373,1104 -0.188,1105 18.455,1106 -0.209,1107 11.441,1108 14.789,1110 22.848,1111 11.19,1112 3.071,1113 12.208,1114 20.337,1115 -0.46,1116 12.651,1117 16.399,1118 4.031,1119 25.343,1120 12.385,1121 2.806,1122 10.692,1123 22.227,1124 4.981,1125 13.784,1126 17.925,1128 27.774,1129 13.499,1130 2.406,1131 9.329,1132 24.124,1133 4.396,1134 14.975,1135 19.516,1136 4.673,1137 30.257,1138 14.675,1139 2.22,1140 8.2,1141 26.027,1142 3.785,1143 16.141,1144 21.076,1146 32.718,1147 15.822,1148 1.957,1149 6.925,1150 27.936,1151 3.288,1152 17.329,1153 22.663,1154 5.326,1155 35.2,1156 16.995,1157 1.68,1158 6.151,1159 29.849,1160 3.141,1161 18.51,1162 24.241,1164 37.676,1165 18.159,1166 6920,1167 11281,1168 20.403,1169 30.296,1170 45.617,1171 47.225,1172 48.354,1173 45.755,1174 45.828,1175 62.681,1176 7.286,1177 142.898,1178 43.732,1179 5.661,1180 5.452,1181 6.618,1182 5.399,1183 5.373,1184 7.981,1185 2.783,1186 19.957,1187 5.307,1188 11.063,1189 1.521,1190 1.574,1191 1.612,1192 1.525,1193 1.528,1194 2.089,1195 0.243,1196 4.763,1197 1.458,1198 4.251,1199 4.269,1200 4.226,1201 4.191,1202 5.095,1203 4.197,1204 3.936,1205 3.942,1206 3.904,1207 3.86,1208 4.952,1209 3.868,1210 3.629,1211 3.65,1212 3.576,1213 3.45,1214 4.717,1215 3.476,1216 3.447,1217 3.5,1218 3.346,1219 3.269,1220 4.498,1221 3.279,1222 3.264,1223 3.316,1224 3.136,1225 3.023,1226 4.348,1227 3.045,1228 3.241,1229 3.309,1230 3.048,1231 2.956,1232 4.203,1233 2.964,1234 3.06,1235 3.118,1236 2.896,1237 2.865,1238 3.979,1239 2.863,1240 2.954,1241 3.019,1242 2.821,1243 2.822,1244 3.884,1245 2.812,1246 0.162,1247 0.115,1248 0.236,1249 0.145,1250 0.112,1251 4.85,1252 0.166,1253 3.452,1254 0.046,1255 7.069,1256 0.407,1257 4.353,1258 0.11,1259 3.373,1260 4.981,1261 1.392,1262 12.208,1263 3.307,1264 2.2,1265 2.185,1266 2.246,1267 2.272,1268 1.455,1269 2.265,1270 1.885,1271 1.876,1272 1.953,1273 1.964,1274 1.12,1275 1.959,1276 1.498,1277 1.463,1278 1.699,1279 1.717,1280 0.772,1281 1.711,1282 1.37,1283 1.323,1284 1.585,1285 1.549,1286 0.642,1287 1.559,1288 1.193,1289 1.139,1290 1.574,1291 1.522,1292 0.58,1293 1.537,1294 1.177,1295 1.107,1296 1.481,1297 1.515,1298 0.575,1299 1.487,1300 1.155,1301 1.099,1302 1.437,1303 1.416,1304 0.549,1305 1.438,1306 0.95,1307 0.867,1308 1.272,1309 1.158,1310 0.363,1311 1.204,1312 4.111,1314 5.485,1315 2.398,1316 7.081,1317 4.595,1318 8.785,1319 6.581,1320 10.547,1322 5.369,1328 0.273,1330 22.176,1340 29.358,1341 64.918,1342 137.39,1343 182.931,1344 205.195,1345 215.95,1346 223.95,1347 28.535,1348 8.432,1349 40.8,1350 40.8,1351 29,1352 12.981,1353 4.459,1354 3.524,1355 33.748,1356 85,1357 84,1358 0.207,1359 173.139,1360 290.18,1361 414.219,1362 53206,1364 17.836,1365 0.686,1366 0.572,1367 17.836,1368 14.882,1369 12.707,1370 0.424,1371 0.284,1372 8.328,1373 12.053,1374 8.06,1375 6.686,1376 12.707,1377 8.514,1378 11.523,1379 0.256,1380 0.145,1381 11.523,1382 6.504,1383 10.885,1384 0.16,1385 0.076,1386 10.885,1387 5.142,1388 10.016,1389 0.101,1390 0.04,1391 10.016,1392 3.981,1393 8.488,1394 0.062,1395 0.021,1396 8.488,1397 2.907,1398 0.311,1399 80.949,1400 0.221,1401 24.264,1402 0.613,1403 150,1404 439.275,1405 165.145,1406 409.408,1407 579.57,1408 390,1409 188,1410 440.254,1411 204.839,1412 447.426,1413 668.55,1414 418,1415 5.882}
{0 CHEMBL258928,1 1.225,2 11.417,3 4.984,4 24.835,5 103.095,6 5.919,7 0.423,8 4.051,9 4.204,10 3.417,11 3.597,12 4.918,13 3.519,14 4.644,15 4.861,16 3.702,17 4.01,18 5.405,19 3.882,20 4.966,21 5.255,22 3.778,23 4.139,24 5.644,25 3.978,26 4.927,27 5.212,28 3.715,29 4.094,30 5.628,31 3.932,32 4.896,33 5.173,34 3.626,35 4.088,36 5.57,37 3.912,38 4.919,39 5.205,40 3.488,41 4.076,42 5.545,43 3.864,44 4.908,45 5.223,46 3.299,47 3.974,48 5.477,49 3.729,50 4.757,51 5.086,52 3.124,53 3.783,54 5.308,55 3.537,56 0.076,57 0.789,58 13.74,59 5.466,60 8.594,61 8.122,62 0.136,63 1.285,64 24.045,65 9.415,66 14.82,67 14.085,68 0.211,69 1.587,70 32.068,71 11.719,72 23.087,73 17.998,74 0.258,75 1.541,76 31.181,77 10.931,78 24.891,79 16.967,80 0.214,81 1.489,82 30.062,83 11.058,84 21.239,85 16.892,86 0.185,87 1.467,88 30.179,89 11.902,90 20.065,91 17.727,92 0.175,93 1.366,94 29.202,95 11.565,96 19.715,97 17.212,98 0.159,99 1.149,100 24.947,101 9.616,102 17.141,103 14.454,104 11,105 33,106 0.205,107 0.485,108 0.652,109 0.798,110 0.859,111 0.878,112 3.228,113 1.124,114 -4.54,115 -4.46,116 -4.2,121 38.2,123 10,127 2,144 4,145 2,146 1,148 2,165 1,166 1,167 1,176 13,180 4,185 4,187 13,189 1,192 4,197 4,200 9,203 1,206 2,209 1,211 6,214 10,216 1,224 4,227 13,229 1,232 1,237 2,239 14,241 1,244 1,249 2,251 12,253 1,256 1,264 10,269 1,273 1,276 1,277 10,281 976,282 16.941,283 16.941,284 16.941,285 16.941,286 16.941,287 15.654,288 13.363,289 10.858,290 17.071,291 12.885,292 12.885,293 12.885,294 12.885,295 12.885,296 10.861,297 12.408,298 5.192,299 13.108,300 4.556,301 2.887,302 1.891,303 1.018,304 0.655,305 0.545,306 3.92,311 1,312 1,313 590,314 3.391,318 154.143,322 176.936,325 1.681,326 10.583,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 49.5,338 274,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.4,346 11.348,347 3.162,348 3.914,349 2.669,350 5.982,351 3.524,352 2.532,353 3.437,355 8.37,356 2.512,357 3.522,358 2.356,359 5.381,360 3.136,361 2.182,362 2.893,364 6.711,365 2.08,366 2.942,367 1.928,368 4.116,369 2.894,370 1.898,371 2.142,373 3.82,374 1.89,375 2.906,376 1.758,377 3.984,378 2.621,379 1.638,380 1.912,382 3.423,383 1.61,384 2.677,385 1.574,386 3.851,387 2.51,388 1.519,389 1.699,391 3.329,392 1.503,393 2.572,394 1.451,395 3.638,396 2.345,397 1.347,398 1.586,400 3.142,401 1.343,402 2.487,403 1.357,404 3.594,405 2.242,406 1.256,407 1.486,409 2.902,410 1.24,411 2.276,412 1.35,413 3.48,414 2.227,415 1.247,416 1.273,418 2.559,419 1.217,420 1.97,421 1.011,422 3.125,423 1.86,424 0.885,425 0.939,427 1.855,428 0.861,429 1.669,430 0.667,431 2.87,432 1.53,433 0.555,434 0.602,436 1.079,437 0.54,438 1.341,439 0.267,440 2.631,441 1.125,442 0.164,443 0.181,445 0.328,446 0.157,447 1.008,448 -0.012,449 2.404,450 0.812,451 -0.152,452 -0.171,454 -0.32,455 -0.146,456 0.915,457 -0.403,458 2.156,459 0.538,460 -0.445,461 -0.567,463 -1.074,464 -0.436,465 0.596,466 -0.42,467 2,468 0.424,469 -0.548,470 -0.586,472 -1.091,473 -0.532,474 11.7,475 0.488,476 0.274,477 0.011,478 24.75,479 1.031,480 10.5,481 0.438,482 14.25,483 0.594,484 24.35,485 1.015,486 27.3,487 0.496,488 13.873,489 0.578,490 3.968,491 0.165,492 7.93,493 0.33,494 0.034,496 0.214,501 1.155,502 1.263,503 1.077,504 1.146,505 1.149,506 1.113,507 0.994,508 1.284,509 1.107,510 1.212,511 0.861,512 1.175,513 0.981,514 1.019,515 0.867,516 0.914,517 0.782,518 0.888,519 1.29,520 0.99,521 1.007,522 0.941,523 0.984,524 0.952,525 1.307,526 0.996,527 1.109,528 1.016,529 1.034,530 1.043,531 0.944,532 1.043,533 1.123,534 1.124,535 0.924,536 1.134,537 0.742,538 0.971,539 1.001,540 1.041,541 0.821,542 1.039,543 0.784,544 0.885,545 0.917,546 0.93,547 0.822,548 0.932,549 2,550 0.062,551 1.778,552 1.188,553 1.12,554 0.382,555 0.26,556 0.13,557 0.098,558 0.077,559 6702,560 11341,561 2.114,562 56.4,563 14,564 8,567 3,568 2,569 4,572 1.666,573 2.057,574 3.38,575 0.874,582 67.401,583 1.225,584 2.894,585 3.89,586 4.763,587 5.127,588 5.236,589 2.809,590 3.855,591 4.544,592 3.603,593 994.403,594 7.834,595 12095.8,597 1,600 317.975,601 0.974,602 4.551,603 0.077,604 0.004,605 0.054,606 0.034,607 0.035,608 0.013,609 0.011,610 0.007,611 0.006,612 0.005,613 0.246,614 0.5,615 1,616 2.101,617 115.925,618 -0.048,619 0.036,620 0.039,621 0.056,622 -0.016,623 0.054,624 -0.021,625 -0.136,626 -0.06,627 -0.103,628 0.022,629 -0.087,630 0.069,631 -0.016,632 0.129,633 0.074,634 0.097,635 0.1,636 0.002,637 0.046,638 0.013,639 0.03,640 -0.001,641 0.024,642 -0.166,643 0.044,644 -0.098,645 -0.018,646 -0.136,647 -0.048,648 -0.118,649 -0.055,650 -0.149,651 -0.112,652 -0.138,653 -0.129,654 -0.028,655 -0.056,656 -0.061,657 -0.065,658 -0.072,659 -0.065,660 -0.002,661 0.007,662 0.019,663 0.018,664 -0.034,665 0.019,666 0.665,667 1.912,668 0.583,669 24,670 0.976,671 1.133,672 3.305,673 10.926,674 0.63,675 3.296,676 3.526,677 3.807,678 4.094,679 4.369,680 4.431,681 4.554,682 4.644,683 4.691,684 4.522,685 6.56,686 0.572,687 325.55,688 3.296,689 4.779,690 5.609,691 6.463,692 7.327,693 8.203,694 9.085,695 9.974,696 10.865,697 11.761,698 5.5,699 1,703 1,708 1,714 2,715 4,716 1,720 3,722 11,734 1,741 55,743 11,744 1,745 26,747 57,748 21,749 9,750 2,751 4,756 3,757 6,763 1,767 4,770 10,772 9,773 12,793 31,794 3,795 3,796 3,802 3,808 0.333,822 1,829 3,833 2,851 1,859 1,868 24,869 1,876 12,877 1,901 11.667,902 9.367,903 5.611,904 3.954,907 2.419,908 1.338,909 0.982,910 6.627,911 9.572,912 3.481,913 3.998,914 4.61,915 5.237,916 5.853,917 6.183,918 6.561,919 6.903,920 7.197,921 7.001,922 1,923 35,924 8.937,926 3.649,927 0.026,929 7.326,931 18.209,933 15.236,936 1.826,937 43.833,938 0.001,939 1,940 1,941 329.591,942 80.878,943 67.693,948 80.878,949 329.591,950 67.693,952 62.454,953 37.905,954 34.796,955 13.416,957 329.591,959 329.591,960 148.571,964 282.506,965 47.084,968 67.355,969 46.42,970 34.796,972 329.591,973 67.693,974 80.878,977 329.591,978 42.973,979 37.905,980 18.011,981 49.683,982 329.591,983 67.693,984 80.878,986 0.542,987 0.314,988 0.182,989 0.104,990 14,991 5,992 0.158,993 9,994 2,995 1.286,996 3.771,997 184.355,998 0.286,999 14,1000 110.039,1005 17.384,1006 9.149,1007 4.564,1008 2.434,1009 67.693,1010 8.58,1011 4.912,1015 4.158,1017 50.908,1018 478.162,1019 31.5,1031 53.676,1032 62.308,1034 0.212,1035 0.501,1036 0.673,1037 0.824,1038 0.887,1039 0.906,1040 4.67,1041 1.256,1042 5.525,1043 3.142,1044 4.205,1045 4.682,1046 0.278,1047 6.297,1048 4.169,1049 5.806,1050 1.247,1051 7.04,1052 2.902,1053 3.434,1054 4.407,1056 7.168,1057 3.374,1058 7.081,1059 0.885,1060 8.676,1061 2.559,1062 5.714,1063 6.89,1064 0.05,1065 10.366,1066 5.64,1067 8.41,1068 0.555,1069 10.394,1070 1.855,1071 5.943,1072 7.614,1074 12.195,1075 5.842,1076 9.79,1077 0.164,1078 12.166,1079 1.079,1080 7.567,1081 9.511,1082 0.008,1083 14.876,1084 7.455,1085 11.206,1086 -0.152,1087 13.977,1088 0.328,1089 8.306,1090 10.675,1092 17.061,1093 8.167,1094 12.649,1095 -0.445,1096 15.813,1097 -0.32,1098 9.647,1099 12.344,1100 0.001,1101 19.576,1102 9.495,1103 3.226,1104 -0.548,1105 17.666,1106 -1.074,1107 10.629,1108 13.704,1110 21.902,1111 10.451,1112 2.532,1113 11.348,1114 19.533,1115 -1.091,1116 11.857,1117 15.281,1119 24.361,1120 11.663,1121 2.182,1122 8.37,1123 21.409,1124 4.564,1125 12.946,1126 16.728,1128 26.744,1129 12.728,1130 1.898,1131 6.711,1132 23.292,1133 3.437,1134 14.133,1135 18.268,1137 29.184,1138 13.897,1139 1.638,1140 3.82,1141 25.181,1142 2.893,1143 15.268,1144 19.754,1146 31.592,1147 15.01,1148 1.519,1149 3.423,1150 27.075,1151 2.142,1152 16.442,1153 21.28,1155 34.024,1156 16.164,1157 1.347,1158 3.329,1159 28.972,1160 1.912,1161 17.596,1162 22.783,1164 36.444,1165 17.296,1166 6594,1167 8693,1168 17.97,1169 34.677,1170 36.755,1171 37.134,1172 38.04,1173 36.902,1174 36.899,1175 45.429,1176 0.8,1177 97.728,1178 36.228,1179 5.593,1180 5.361,1181 6.805,1182 5.247,1183 5.226,1184 7.564,1185 0.8,1186 18.879,1187 5.162,1188 6.924,1189 1.414,1190 1.428,1191 1.463,1192 1.419,1193 1.419,1194 1.747,1195 0.031,1196 3.759,1197 1.393,1198 4.113,1199 4.144,1200 4.073,1201 4.04,1202 5.009,1203 4.044,1204 3.788,1205 3.856,1206 3.629,1207 3.666,1208 4.969,1209 3.648,1210 3.732,1211 3.781,1212 3.61,1213 3.646,1214 4.413,1215 3.63,1216 3.605,1217 3.686,1218 3.433,1219 3.442,1220 4.26,1221 3.428,1222 3.377,1223 3.467,1224 3.212,1225 3.2,1226 4.084,1227 3.192,1228 3.222,1229 3.294,1230 3.067,1231 3.067,1232 3.975,1233 3.054,1234 3.13,1235 3.213,1236 2.976,1237 2.962,1238 3.803,1239 2.955,1240 2.982,1241 3.093,1242 2.739,1243 2.768,1244 3.591,1245 2.749,1246 0.178,1247 0.129,1248 0.263,1249 0.162,1250 0.124,1251 4.64,1252 0.176,1253 3.361,1254 0.015,1255 6.829,1256 0.436,1257 4.207,1258 0.122,1259 3.226,1260 4.564,1261 0.4,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.437,1269 2.163,1270 1.795,1271 1.732,1272 2.044,1273 1.959,1274 1.399,1275 1.992,1276 1.754,1277 1.709,1278 1.949,1279 1.872,1280 1.204,1281 1.902,1282 1.611,1283 1.537,1284 1.883,1285 1.817,1286 1.138,1287 1.843,1288 1.366,1289 1.289,1290 1.657,1291 1.611,1292 0.901,1293 1.632,1294 1.225,1295 1.157,1296 1.477,1297 1.415,1298 0.755,1299 1.44,1300 1.132,1301 1.055,1302 1.434,1303 1.348,1304 0.631,1305 1.381,1306 0.985,1307 0.882,1308 1.346,1309 1.268,1310 0.546,1311 1.304,1312 3.97,1314 5.22,1316 6.696,1318 8.298,1320 9.978,1326 5.541,1328 14.45,1329 3.758,1340 31.439,1341 67.401,1342 159.181,1343 213.975,1344 261.975,1345 281.975,1346 287.975,1347 34.904,1348 7.153,1349 50.94,1350 50.94,1351 18,1352 12.288,1353 3.585,1354 2.7,1355 39.522,1356 88,1357 130,1358 0.209,1359 195.775,1360 332.78,1361 469.452,1362 12446,1364 16.615,1365 0.692,1366 0.617,1367 16.615,1368 14.819,1369 11.898,1370 0.458,1371 0.375,1372 9.695,1373 11.722,1374 9.51,1375 7.941,1376 11.898,1377 9.743,1378 9.58,1379 0.29,1380 0.211,1381 9.58,1382 6.973,1383 8.032,1384 0.183,1385 0.116,1386 8.032,1387 5.102,1388 6.834,1389 0.116,1390 0.064,1391 6.834,1392 3.764,1393 5.818,1394 0.075,1395 0.036,1396 5.818,1397 2.799,1398 0.333,1399 72.605,1400 0.236,1401 23.881,1402 0.555,1403 118,1404 221.29,1405 122.468,1406 224.557,1407 322.05,1408 214,1409 136,1410 245.93,1411 140.829,1412 251.835,1413 371.41,1414 241,1415 7.051}
{0 CHEMBL259264,1 1.305,2 14.385,3 3.405,4 11.594,5 109.309,6 5.816,7 0.214,8 4.177,9 4.319,10 3.528,11 3.654,12 5.007,13 3.586,14 4.807,15 5.028,16 3.802,17 4.071,18 5.548,19 3.958,20 5.129,21 5.402,22 3.8,23 4.245,24 5.767,25 4.069,26 5.175,27 5.48,28 3.648,29 4.2,30 5.768,31 3.983,32 5.07,33 5.381,34 3.582,35 4.082,36 5.703,37 3.875,38 4.933,39 5.224,40 3.483,41 3.949,42 5.637,43 3.756,44 4.749,45 5.043,46 3.393,47 3.806,48 5.389,49 3.628,50 4.59,51 4.845,52 3.37,53 3.727,54 5.345,55 3.585,56 0.083,57 0.855,58 16.039,59 6.265,60 7.957,61 9.101,62 0.258,63 1.403,64 29.102,65 10.056,66 19.625,67 15.212,68 0.334,69 1.721,70 38.122,71 13.574,72 26.166,73 20.396,74 0.379,75 1.678,76 38.746,77 14,78 26.772,79 20.996,80 0.286,81 1.481,82 34.623,83 12.57,84 26.911,85 18.754,86 0.422,87 1.279,88 30.967,89 10.828,90 32.499,91 15.992,92 0.221,93 1.104,94 25.51,95 9.133,96 18.361,97 13.604,98 0.24,99 0.983,100 22.556,101 7.938,102 20.979,103 11.642,104 4,105 35,106 0.215,107 0.437,108 0.652,109 0.776,110 0.817,111 0.817,112 3.302,113 1.136,114 -4.12,115 -4.07,116 -3.85,121 35.5,123 7,124 1,127 8,144 4,145 1,146 1,176 9,180 9,185 1,187 8,192 6,197 1,200 2,205 1,206 4,211 2,214 6,227 8,231 1,232 4,235 1,239 8,244 3,251 4,256 4,261 1,264 6,269 1,274 2,277 6,281 1072,282 18.146,283 18.146,284 18.146,285 18.146,286 18.146,287 17.422,288 24.794,289 11.392,290 18.544,291 13.848,292 13.848,293 13.848,294 13.848,295 13.848,296 12.77,297 29.801,298 5.419,299 14.487,300 4.649,301 3.304,302 2.002,303 1.245,304 1,305 1,306 3.994,311 1,312 1,313 796,314 3.082,318 301.947,325 2.538,326 14.471,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 55,338 374,339 4.055,340 3.043,341 5.641,342 3.717,343 2.753,344 3.642,345 0.916,346 7.853,347 2.66,348 3.679,349 2.869,350 5.411,351 3.549,352 2.579,353 2.838,354 0.86,355 7.163,356 2.515,357 3.523,358 2.814,359 5.34,360 3.449,361 2.519,362 2.577,363 0.8,364 6.965,365 2.341,366 3.463,367 2.512,368 5.231,369 3.248,370 2.298,371 2.519,372 0.172,373 6.673,374 2.166,375 3.081,376 2.21,377 4.888,378 2.909,379 1.964,380 2.107,382 5.668,383 1.847,384 2.629,385 1.731,386 3.724,387 2.59,388 1.606,389 1.63,391 3.338,392 1.577,393 2.5,394 1.52,395 3.471,396 2.255,397 1.301,398 1.5,400 2.775,401 1.233,402 2.335,403 1.487,404 3.414,405 2.039,406 1.106,407 1.332,409 2.275,410 1.023,411 2.111,412 1.077,413 3.414,414 2,415 1,416 1.11,418 2.275,419 1,420 2,421 1.077,422 3.247,423 1.984,424 1,425 1,427 2.136,428 0.983,429 2,430 1,431 3.215,432 1.984,433 1,434 1,436 1.94,437 0.983,438 1.618,439 0.832,440 2.962,441 1.453,442 0.528,443 0.559,445 1.19,446 0.484,447 1.276,448 0.489,449 2.748,450 1.143,451 0.196,452 0.207,454 0.436,455 0.184,456 0.92,457 0.098,458 2.204,459 0.761,460 -0.187,461 -0.199,463 -0.374,464 -0.175,465 0.566,466 -0.203,467 2,468 0.464,469 -0.476,470 -0.492,472 -1.017,473 -0.443,474 12.467,475 0.479,476 0.341,477 0.013,478 22.75,479 0.875,480 6.5,481 0.25,482 16.25,483 0.625,484 27.83,485 1.07,486 31.333,487 0.505,488 13.309,489 0.512,490 3.868,491 0.149,492 8.963,493 0.345,494 0.027,496 0.184,501 0.963,502 1.574,503 1.071,504 1.367,505 0.937,506 1.249,507 1.319,508 1.222,509 1.213,510 1.146,511 0.912,512 1.153,513 1.051,514 1.093,515 1.098,516 1.082,517 0.749,518 1.088,519 0.799,520 0.98,521 0.98,522 1.006,523 0.665,524 1.01,525 0.809,526 0.933,527 0.868,528 0.942,529 1.034,530 0.916,531 1.226,532 0.905,533 1.015,534 0.933,535 1.281,536 0.96,537 0.976,538 0.959,539 0.895,540 0.943,541 0.662,542 0.917,543 1.581,544 0.952,545 1.107,546 0.956,547 1.317,548 0.985,549 4,550 0.074,551 1.556,552 0.563,553 0.836,554 0.285,555 0.402,556 0.26,557 0.049,558 0.114,559 10018,560 17289,561 2.105,562 58.1,563 3,564 20,567 1,569 10,570 2,572 1.68,573 2.053,574 3.795,575 -0.408,577 1,582 80.935,583 1.305,584 2.65,585 3.952,586 4.709,587 4.954,588 4.954,589 3.277,590 3.642,591 4.667,592 3.975,593 1291.77,594 8.031,595 17981.3,597 1,600 369.16,601 0.929,602 4.669,603 0.143,604 0.005,605 0.044,606 0.017,607 0.031,608 0.011,609 0.017,610 0.012,611 0.002,612 0.006,613 0.288,614 0.5,615 1,616 0.723,617 133.268,618 0.013,619 -0.202,620 0.063,621 -0.067,622 -0.008,623 -0.01,624 -0.146,625 -0.012,626 -0.119,627 -0.052,628 -0.045,629 -0.075,630 -0.086,631 -0.045,632 -0.092,633 -0.064,634 -0.027,635 -0.076,636 0.024,637 -0.021,638 -0.026,639 -0.036,640 0.011,641 -0.036,642 0.024,643 -0.003,644 0.077,645 0.021,646 -0.017,647 0.051,648 0.04,649 0.034,650 -0.014,651 0.029,652 -0.08,653 0.002,655 0.005,656 0.081,657 0.038,658 -0.004,659 0.064,660 -0.162,661 0.08,662 -0.052,663 0.067,664 -0.135,665 0.025,666 1.163,667 3.061,668 0.692,669 32.402,670 0.982,671 1.137,672 2.893,673 8.368,674 0.611,675 3.367,676 3.584,677 3.761,678 3.932,679 4.127,680 4.007,681 4.111,682 4.174,683 4.174,684 4.263,685 8.226,686 0.555,687 360.6,688 3.367,689 4.844,690 5.638,691 6.454,692 7.261,693 8.079,694 8.892,695 9.712,696 10.528,697 11.349,698 3.2,701 2,715 4,720 2,722 6,739 1,741 62,743 6,744 1,745 28,747 64,748 22,749 6,750 2,751 4,756 3,757 3,763 1,767 5,768 1,770 7,772 6,773 16,774 1,790 1,793 36,794 4,795 1,796 4,802 2,808 1,809 2,810 1,829 3,855 2,857 1,859 3,868 26,875 1,876 15,878 1,880 1,881 2,893 3.2,894 1,898 1,901 12.667,902 10.433,903 6,904 4.256,907 1.128,908 1.161,909 0.922,910 8.409,911 8.152,912 3.466,913 3.818,914 4.163,915 4.531,916 4.96,917 4.882,918 5.066,919 5.261,920 5.368,921 5.567,922 0.9,923 33,924 9.715,926 3.949,927 0.026,929 7.372,931 19.848,933 16.593,936 1.872,937 48.667,938 0.001,940 1,941 411.989,942 81.302,943 6.249,945 53.683,948 81.302,949 465.672,950 6.249,952 34.968,953 80.588,955 25.678,957 411.989,959 411.989,960 87.551,961 53.683,964 270.735,965 152.253,966 42.683,968 41.217,969 46.334,972 411.989,973 59.932,974 81.302,977 411.989,978 43.397,979 44.154,981 53.683,982 411.989,983 59.932,984 81.302,986 0.55,987 0.306,988 0.163,989 0.09,990 14,991 5,992 0.141,993 9,995 1,996 4.146,997 191.649,999 18,1000 110.211,1005 19.816,1006 11.033,1007 6.961,1009 59.932,1010 8.656,1015 2.361,1017 42.683,1018 553.223,1019 31,1031 60.879,1032 70.474,1034 0.219,1035 0.445,1036 0.664,1037 0.791,1038 0.832,1039 0.832,1040 4.668,1041 1.106,1042 5.541,1043 2.775,1044 4.263,1045 4.5,1046 1.598,1047 6.192,1048 4.177,1049 5.728,1050 1,1051 6.989,1052 2.275,1053 3.434,1054 3.829,1055 0.57,1056 6.698,1057 3.279,1058 6.933,1059 1,1060 8.527,1061 2.275,1062 5.7,1063 6.309,1064 1.256,1065 9.721,1066 5.531,1067 8.161,1068 1,1069 10.119,1070 2.136,1071 5.707,1072 6.499,1073 0.581,1074 11.041,1075 5.467,1076 9.426,1077 0.528,1078 11.743,1079 1.94,1080 7.359,1081 8.447,1082 1.023,1083 13.488,1084 7.11,1085 10.711,1086 0.196,1087 13.389,1088 1.19,1089 7.787,1090 9.062,1091 0.515,1092 15.154,1093 7.475,1094 12.013,1095 -0.187,1096 15.05,1097 0.436,1098 9.132,1099 10.766,1100 0.84,1101 17.368,1102 8.808,1103 2.753,1104 -0.476,1105 16.72,1106 -0.374,1107 9.795,1108 11.621,1109 0.441,1110 19.204,1111 9.416,1112 2.579,1113 7.853,1114 18.397,1115 -1.017,1116 10.975,1117 13.191,1118 0.689,1119 21.314,1120 10.579,1121 2.519,1122 7.163,1123 20.078,1124 3.642,1125 11.773,1126 14.194,1127 0.373,1128 23.239,1129 11.33,1130 2.298,1131 6.965,1132 21.763,1133 2.838,1134 12.863,1135 15.677,1136 0.564,1137 25.302,1138 12.399,1139 1.964,1140 6.673,1141 23.451,1142 2.577,1143 13.74,1144 16.776,1145 0.314,1146 27.275,1147 13.235,1148 1.606,1149 5.668,1150 25.141,1151 2.519,1152 14.781,1153 18.201,1154 0.461,1155 29.318,1156 14.252,1157 1.301,1158 3.338,1159 26.833,1160 2.107,1161 15.706,1162 19.364,1163 0.264,1164 31.319,1165 15.139,1166 9618,1167 12710,1168 19.356,1169 37.864,1170 39.758,1171 40.072,1172 40.411,1173 39.756,1174 39.697,1175 44.039,1176 5.498,1177 101.372,1178 37.991,1179 5.055,1180 5.043,1181 5.443,1182 4.775,1183 4.753,1184 6.642,1185 1.776,1186 13.39,1187 4.66,1188 7.25,1189 1.42,1190 1.431,1191 1.443,1192 1.42,1193 1.418,1194 1.573,1195 0.196,1196 3.62,1197 1.357,1198 3.978,1199 4.023,1200 3.895,1201 3.878,1202 6.456,1203 3.877,1204 3.856,1205 3.926,1206 3.722,1207 3.722,1208 4.849,1209 3.713,1210 3.832,1211 3.874,1212 3.717,1213 3.699,1214 4.397,1215 3.693,1216 3.55,1217 3.614,1218 3.387,1219 3.389,1220 4.334,1221 3.377,1222 3.453,1223 3.522,1224 3.289,1225 3.246,1226 4.23,1227 3.247,1228 3.177,1229 3.24,1230 3.022,1231 2.98,1232 3.825,1233 2.979,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.725,1239 2.91,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.674,1245 2.91,1246 0.145,1247 0.109,1248 0.201,1249 0.133,1250 0.098,1251 4.055,1252 0.13,1253 3.043,1254 0.033,1255 5.641,1256 0.28,1257 3.717,1258 0.095,1259 2.753,1260 3.642,1261 0.916,1262 7.853,1263 2.66,1264 1.931,1265 1.898,1266 2.095,1267 2.068,1268 1.476,1269 2.08,1270 1.842,1271 1.789,1272 2.064,1273 2.029,1274 1.418,1275 2.045,1276 1.827,1277 1.767,1278 1.996,1279 1.958,1280 1.18,1281 1.972,1282 1.553,1283 1.489,1284 1.828,1285 1.751,1286 1.14,1287 1.779,1288 1.424,1289 1.354,1290 1.699,1291 1.67,1292 0.953,1293 1.682,1294 1.153,1295 1.084,1296 1.513,1297 1.396,1298 0.825,1299 1.429,1300 1.153,1301 1.064,1302 1.513,1303 1.376,1304 0.825,1305 1.429,1306 1.146,1307 1.064,1308 1.431,1309 1.376,1310 0.667,1311 1.41,1312 4.043,1314 5.283,1316 6.715,1318 8.229,1320 9.782,1327 9.061,1328 16.85,1330 5.919,1332 0.719,1333 5.099,1340 34.428,1341 80.935,1342 164.319,1343 245.028,1344 291.941,1345 307.16,1346 307.16,1347 42.494,1348 7.024,1349 35.94,1350 35.94,1351 18,1352 11.93,1353 2.807,1354 2,1355 44.905,1356 131,1357 122,1358 0.166,1359 212.421,1360 372.84,1361 510.066,1362 11717,1364 18.029,1365 0.693,1366 0.625,1367 18.029,1368 16.243,1369 12.831,1370 0.458,1371 0.379,1372 10.487,1373 12.395,1374 10.288,1375 8.496,1376 12.831,1377 10.606,1378 10.586,1379 0.302,1380 0.228,1381 10.586,1382 7.98,1383 8.496,1384 0.202,1385 0.141,1386 8.496,1387 5.91,1388 6.733,1389 0.135,1390 0.085,1391 6.733,1392 4.226,1393 5.481,1394 0.09,1395 0.051,1396 5.481,1397 3.102,1398 0.276,1399 79.825,1400 0.227,1401 26.389,1402 0.414,1403 126,1404 275.175,1405 135.145,1406 259.903,1407 352.9,1408 248,1409 140,1410 245.195,1411 149.481,1412 247.805,1413 358.91,1414 234,1415 6.456}
{0 CHEMBL259482,1 1.32,2 13.68,3 3.016,4 9.098,5 104.631,6 5.874,7 0.222,8 4.132,9 4.272,10 3.493,11 3.607,12 4.972,13 3.543,14 4.76,15 4.979,16 3.771,17 4.024,18 5.508,19 3.916,20 5.078,21 5.348,22 3.776,23 4.194,24 5.739,25 4.025,26 5.132,27 5.436,28 3.587,29 4.129,30 5.769,31 3.916,32 4.976,33 5.289,34 3.495,35 3.993,36 5.612,37 3.786,38 4.808,39 5.092,40 3.42,41 3.875,42 5.474,43 3.687,44 4.695,45 4.983,46 3.353,47 3.747,48 5.389,49 3.577,50 4.518,51 4.772,52 3.332,53 3.654,54 5.3,55 3.518,56 0.078,57 0.817,58 15.237,59 5.922,60 7.603,61 8.604,62 0.253,63 1.341,64 27.778,65 9.486,66 18.824,67 14.379,68 0.318,69 1.64,70 36.485,71 12.832,72 24.927,73 19.315,74 0.415,75 1.574,76 37.483,77 13.052,78 31.468,79 19.637,80 0.321,81 1.349,82 31.681,83 11.493,84 27.83,85 17.147,86 0.291,87 1.169,88 27.324,89 10.007,90 22.191,91 14.68,92 0.234,93 1.036,94 24.471,95 8.589,96 21.82,97 12.739,98 0.215,99 0.916,100 21.069,101 7.347,102 21.532,103 10.798,104 3,105 34,106 0.22,107 0.449,108 0.659,109 0.768,110 0.811,111 0.811,112 3.265,113 1.123,114 -3.9,115 -3.86,116 -3.66,121 35.6,123 6,124 1,127 8,144 4,145 1,146 1,176 8,180 9,185 1,187 6,192 6,197 2,200 2,205 1,206 3,214 6,222 1,227 8,231 1,232 4,239 7,244 3,249 1,251 2,256 4,261 2,264 4,269 1,274 2,277 6,281 972,282 17.438,283 17.438,284 17.438,285 17.438,286 17.438,287 16.715,288 24.794,289 10.786,290 17.819,291 13.31,292 13.31,293 13.31,294 13.31,295 13.31,296 12.232,297 29.801,298 5.125,299 13.932,300 4.563,301 3.186,302 1.93,303 1.275,304 1.017,305 1.017,306 3.956,311 1,312 1,313 731,314 2.915,318 287.048,325 2.438,326 14.562,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 53,338 342,339 4.055,340 3.044,341 5.639,342 3.715,343 2.751,344 3.642,345 0.916,346 7.846,347 2.656,348 3.675,349 2.87,350 5.403,351 3.538,352 2.573,353 2.837,354 0.86,355 7.123,356 2.495,357 3.523,358 2.815,359 5.339,360 3.449,361 2.518,362 2.567,363 0.8,364 6.964,365 2.341,366 3.455,367 2.524,368 5.217,369 3.236,370 2.286,371 2.519,372 0.172,373 6.604,374 2.155,375 3.062,376 2.218,377 4.881,378 2.894,379 1.951,380 2.086,382 5.635,383 1.83,384 2.629,385 1.73,386 3.724,387 2.59,388 1.606,389 1.63,391 3.338,392 1.577,393 2.5,394 1.496,395 3.471,396 2.254,397 1.299,398 1.5,400 2.775,401 1.232,402 2.334,403 1.104,404 3.414,405 2,406 1,407 1.331,409 2.275,410 1,411 2,412 1.077,413 3.414,414 1.984,415 1,416 1,418 2.275,419 0.983,420 2,421 1.077,422 3.247,423 1.984,424 1,425 1,427 2.136,428 0.983,429 1.679,430 1,431 3.059,432 1.548,433 0.627,434 0.646,436 1.276,437 0.571,438 1.538,439 0.82,440 2.835,441 1.396,442 0.486,443 0.505,445 0.92,446 0.438,447 1.185,448 0.429,449 2.575,450 1.011,451 0.073,452 0.078,454 0.153,455 0.068,456 0.764,457 -0.078,458 2.187,459 0.609,460 -0.33,461 -0.348,463 -0.706,464 -0.308,465 0.5,466 -0.388,467 2,468 0.349,469 -0.608,470 -0.641,472 -1.294,473 -0.579,474 11.967,475 0.479,476 0.341,477 0.014,478 22.25,479 0.89,480 6.5,481 0.26,482 15.75,483 0.63,484 25.942,485 1.038,486 30.033,487 0.509,488 13.121,489 0.525,490 3.858,491 0.154,492 8.473,493 0.339,494 0.028,496 0.192,501 0.962,502 1.577,503 1.055,504 1.361,505 0.936,506 1.238,507 1.323,508 1.21,509 1.204,510 1.129,511 0.924,512 1.136,513 1.039,514 1.122,515 1.097,516 1.11,517 0.721,518 1.104,519 0.999,520 0.945,521 1.008,522 0.969,523 1.035,524 0.988,525 0.728,526 0.863,527 0.848,528 0.891,529 0.936,530 0.885,531 0.966,532 0.994,533 0.98,534 1.024,535 0.715,536 1.015,537 1.167,538 0.957,539 0.933,540 0.94,541 1.037,542 0.921,543 1.463,544 0.998,545 1.072,546 0.998,547 1.001,548 0.997,549 4,550 0.066,551 1.556,552 0.563,553 0.836,554 0.257,555 0.362,556 0.26,557 0.049,558 0.114,559 8973,560 15684,561 2.11,562 57.6,563 2,564 20,567 1,569 9,570 2,572 1.669,573 2.055,574 3.728,575 -0.396,577 1,582 77.864,583 1.32,584 2.696,585 3.953,586 4.608,587 4.866,588 4.866,589 3.293,590 4.054,591 4.612,592 3.906,593 1171.91,594 7.918,595 15725.7,597 1,599 1,600 347.076,601 0.951,602 4.611,603 0.148,604 0.005,605 0.046,606 0.018,607 0.033,608 0.011,609 0.016,610 0.012,611 0.002,612 0.006,613 0.298,614 0.5,615 1,616 0.557,617 126.151,618 0.009,619 -0.211,620 0.065,621 -0.07,622 -0.011,623 -0.011,624 -0.152,626 -0.116,627 -0.041,628 -0.06,629 -0.067,630 -0.074,631 -0.072,632 -0.093,633 -0.093,635 -0.093,636 -0.014,637 -0.005,638 -0.041,639 -0.019,640 -0.041,641 -0.032,642 0.074,643 0.062,644 0.092,645 0.068,646 -0.001,647 0.08,648 0.038,649 -0.032,650 -0.003,651 -0.022,652 -0.035,653 -0.02,654 -0.037,655 -0.004,656 0.058,657 0.039,658 -0.05,659 0.055,660 -0.116,661 0.036,662 -0.026,663 0.025,664 0.003,665 0.012,666 1.155,667 3.225,668 0.72,669 29.466,670 0.983,671 1.137,672 2.674,673 7.15,674 0.612,675 3.332,676 3.555,677 3.738,678 3.892,679 4.094,680 3.97,681 4.043,682 4.111,683 4.111,684 4.205,685 7.893,686 0.558,687 346.57,688 3.332,689 4.812,690 5.609,691 6.425,692 7.233,693 8.052,694 8.865,695 9.684,696 10.5,697 11.321,698 3.4,701 2,715 4,720 2,722 6,739 1,741 59,743 6,744 1,745 27,747 61,748 21,749 6,750 2,751 4,756 3,757 3,763 1,767 5,768 1,770 6,772 6,773 15,774 1,790 1,793 34,794 4,795 1,796 4,802 2,808 1,809 2,810 1,829 3,855 2,857 1,859 3,868 25,875 1,876 14,878 1,880 1,881 2,893 3.4,894 1,898 1,901 12.167,902 9.933,903 5.75,904 4.006,907 1.129,908 1.163,909 0.923,910 7.742,911 8.062,912 3.434,913 3.795,914 4.147,915 4.509,916 4.946,917 4.867,918 5.04,919 5.24,920 5.34,921 5.532,922 1,923 32,924 9.34,926 3.813,927 0.026,929 7.387,931 19.032,933 15.926,936 1.887,937 47.167,938 0.001,940 1,941 388.446,942 78.768,943 6.249,945 53.683,948 78.768,949 442.13,950 6.249,952 32.434,953 80.588,955 25.678,957 388.446,959 388.446,960 85.016,961 53.683,964 258.964,965 140.482,966 42.683,968 38.682,969 46.334,972 388.446,973 59.932,974 78.768,977 388.446,978 40.863,979 44.154,981 53.683,982 388.446,983 59.932,984 78.768,986 0.555,987 0.313,988 0.16,989 0.088,990 14,991 5,992 0.131,993 8,995 1,996 4.04,997 182.553,999 18,1000 104.096,1005 18.844,1006 10.271,1007 6.376,1009 59.932,1010 8.601,1015 2.337,1017 42.683,1018 527.146,1019 30,1031 57.996,1032 67.059,1034 0.224,1035 0.458,1036 0.672,1037 0.783,1038 0.827,1039 0.827,1040 4.64,1041 1,1042 5.517,1043 2.775,1044 4.234,1045 4.477,1046 1.598,1047 6.172,1048 4.146,1049 5.705,1050 1,1051 6.971,1052 2.275,1053 3.434,1054 3.829,1055 0.57,1056 6.698,1057 3.279,1058 6.914,1059 1,1060 8.513,1061 2.275,1062 5.68,1063 6.298,1064 1.256,1065 9.702,1066 5.504,1067 8.146,1068 0.627,1069 10.106,1070 2.136,1071 5.707,1072 6.499,1073 0.581,1074 11.028,1075 5.458,1076 9.414,1077 0.486,1078 11.733,1079 1.276,1080 7.343,1081 8.441,1082 1.023,1083 13.466,1084 7.082,1085 10.701,1086 0.073,1087 13.379,1088 0.92,1089 7.781,1090 9.06,1091 0.515,1092 15.133,1093 7.454,1094 12.004,1095 -0.33,1096 15.04,1097 0.153,1098 9.117,1099 10.763,1100 0.84,1101 17.343,1102 8.776,1103 2.751,1104 -0.608,1105 16.71,1106 -0.706,1107 9.785,1108 11.62,1109 0.441,1110 19.179,1111 9.386,1112 2.573,1113 7.846,1114 18.386,1115 -1.294,1116 10.96,1117 13.189,1118 0.689,1119 21.286,1120 10.543,1121 2.518,1122 7.123,1123 20.067,1124 3.642,1125 11.76,1126 14.193,1127 0.373,1128 23.21,1129 11.293,1130 2.286,1131 6.964,1132 21.752,1133 2.837,1134 12.847,1135 15.676,1136 0.564,1137 25.272,1138 12.358,1139 1.951,1140 6.604,1141 23.439,1142 2.567,1143 13.726,1144 16.776,1145 0.314,1146 27.245,1147 13.192,1148 1.606,1149 5.635,1150 25.129,1151 2.519,1152 14.765,1153 18.2,1154 0.461,1155 29.287,1156 14.207,1157 1.299,1158 3.338,1159 26.82,1160 2.086,1161 15.69,1162 19.363,1163 0.264,1164 31.287,1165 15.09,1166 8583,1167 11426,1168 18.663,1169 36.103,1170 38.381,1171 38.961,1172 38.956,1173 38.352,1174 38.341,1175 42.68,1176 5.498,1177 98.638,1178 36.653,1179 5.055,1180 5.044,1181 5.441,1182 4.772,1183 4.751,1184 6.642,1185 1.776,1186 13.378,1187 4.656,1188 6.983,1189 1.422,1190 1.443,1191 1.443,1192 1.42,1193 1.42,1194 1.581,1195 0.204,1196 3.653,1197 1.358,1198 3.974,1199 4.018,1200 3.893,1201 3.876,1202 6.456,1203 3.875,1204 3.855,1205 3.925,1206 3.72,1207 3.703,1208 4.849,1209 3.696,1210 3.821,1211 3.864,1212 3.707,1213 3.696,1214 4.394,1215 3.691,1216 3.546,1217 3.61,1218 3.38,1219 3.387,1220 4.327,1221 3.374,1222 3.35,1223 3.417,1224 3.204,1225 3.135,1226 4.215,1227 3.142,1228 3.114,1229 3.206,1230 2.952,1231 2.941,1232 3.803,1233 2.91,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.674,1239 2.91,1240 3.111,1241 3.185,1242 2.866,1243 2.872,1244 3.636,1245 2.879,1246 0.15,1247 0.113,1248 0.209,1249 0.138,1250 0.102,1251 4.055,1252 0.135,1253 3.044,1254 0.034,1255 5.639,1256 0.291,1257 3.715,1258 0.098,1259 2.751,1260 3.642,1261 0.916,1262 7.846,1263 2.656,1264 1.928,1265 1.897,1266 2.084,1267 2.065,1268 1.449,1269 2.074,1270 1.838,1271 1.775,1272 2.064,1273 2.028,1274 1.418,1275 2.044,1276 1.814,1277 1.762,1278 1.987,1279 1.951,1280 1.176,1281 1.964,1282 1.552,1283 1.488,1284 1.827,1285 1.746,1286 1.13,1287 1.776,1288 1.303,1289 1.236,1290 1.564,1291 1.565,1292 0.825,1293 1.567,1294 1.153,1295 1.064,1296 1.513,1297 1.376,1298 0.825,1299 1.429,1300 1.153,1301 1.064,1302 1.513,1303 1.376,1304 0.803,1305 1.429,1306 1.067,1307 0.996,1308 1.388,1309 1.354,1310 0.642,1311 1.368,1312 4.007,1314 5.252,1316 6.691,1318 8.208,1320 9.762,1327 9.225,1328 15.537,1330 5.903,1332 0.511,1333 5.052,1340 32.901,1341 77.864,1342 159.075,1343 233.227,1344 271.857,1345 287.076,1346 287.076,1347 40.136,1348 6.932,1349 35.94,1350 35.94,1351 18,1352 11.902,1353 2.807,1354 2,1355 42.308,1356 120,1357 108,1358 0.169,1359 202.828,1360 355.54,1361 486.661,1362 10361,1364 17.322,1365 0.693,1366 0.621,1367 17.322,1368 15.536,1369 12.331,1370 0.457,1371 0.374,1372 9.987,1373 11.902,1374 9.796,1375 8.088,1376 12.331,1377 10.106,1378 10.206,1379 0.3,1380 0.225,1381 10.206,1382 7.65,1383 8.376,1384 0.204,1385 0.137,1386 8.376,1387 5.631,1388 6.445,1389 0.134,1390 0.082,1391 6.445,1392 3.938,1393 5.262,1394 0.089,1395 0.05,1396 5.262,1397 2.926,1398 0.281,1399 76.825,1400 0.231,1401 25.472,1402 0.424,1403 122,1404 271.175,1405 131.145,1406 255.872,1407 347.2,1408 244,1409 136,1410 241.195,1411 145.813,1412 244.009,1413 353.76,1414 230,1415 5.959}
{0 CHEMBL259523,1 1.203,2 18.762,3 10.213,4 104.309,5 179.127,6 5.657,7 0.267,8 4.651,9 4.797,10 3.966,11 4.176,12 5.492,13 4.088,14 5.275,15 5.497,16 4.292,17 4.621,18 6,19 4.49,20 5.669,21 5.931,22 4.485,23 4.896,24 6.329,25 4.731,26 5.856,27 6.142,28 4.466,29 4.999,30 6.465,31 4.797,32 5.927,33 6.229,34 4.46,35 5.021,36 6.531,37 4.807,38 5.928,39 6.23,40 4.317,41 4.964,42 6.586,43 4.725,44 5.843,45 6.175,46 4.116,47 4.797,48 6.433,49 4.543,50 5.617,51 5.937,52 3.891,53 4.607,54 6.208,55 4.353,56 0.139,57 1.381,58 26.009,59 10.883,60 16.169,61 15.59,62 0.281,63 2.34,64 45.909,65 18.229,66 31.186,67 26.767,68 0.415,69 3.215,70 65.378,71 25.911,72 43.296,73 38.031,74 0.491,75 3.716,76 76.739,77 30.168,78 50.461,79 44.635,80 0.522,81 3.845,82 80.996,83 32.003,84 51.249,85 47.117,86 0.695,87 3.687,88 80.805,89 31.615,90 76.434,91 46.076,92 0.55,93 3.213,94 72.063,95 27.858,96 59.701,97 40.786,98 0.444,99 2.605,100 57.861,101 22.734,102 50.024,103 33.09,104 21,105 60,106 0.177,107 0.371,108 0.534,109 0.671,110 0.717,111 0.746,112 3.764,113 1.168,114 -7.22,115 -7.01,116 -6.48,121 37.3,122 2,123 16,125 2,127 6,144 8,145 2,146 2,176 27,180 6,185 4,187 30,192 10,197 4,200 29,206 8,211 4,214 28,219 4,224 4,227 29,232 4,235 2,237 4,239 26,244 2,249 2,251 23,256 2,261 2,264 22,269 2,274 2,277 22,281 3704,282 28.827,283 28.827,284 28.827,285 28.827,286 28.827,287 27.351,288 28.972,289 17.478,290 29.115,291 22.058,292 22.058,293 22.058,294 22.058,295 22.058,296 19.935,297 32.214,298 8.115,299 22.557,300 5.469,301 4.154,302 3.044,303 2.113,304 1.799,305 1.603,306 4.461,313 1682,314 4.583,318 308.572,319 373.214,325 2.58,326 21.65,329 0.5,330 0.5,331 0.5,332 0.8,333 1,334 0.5,335 0.5,336 0.61,337 87,338 788,339 4.587,340 3.709,341 7.647,342 4.497,343 3.501,344 3.912,345 0.8,346 14.009,347 3.487,348 4.587,349 3.709,350 7.647,351 4.497,352 3.501,353 3.912,354 0.8,355 14.009,356 3.487,357 3.802,358 2.757,359 5.447,360 3.437,361 2.483,362 3.159,364 7.068,365 2.372,366 3.802,367 2.757,368 5.447,369 3.437,370 2.483,371 3.159,373 7.068,374 2.372,375 3.392,376 2.582,377 5.207,378 3.267,379 2.325,380 2.43,382 6.458,383 2.181,384 3.391,385 2.582,386 5.207,387 3.265,388 2.324,389 2.429,391 6.458,392 2.177,393 2.951,394 1.906,395 4.69,396 2.89,397 1.894,398 2.071,400 4.517,401 1.885,402 2.941,403 1.751,404 4.689,405 2.664,406 1.673,407 2.067,409 4.516,410 1.657,411 2.879,412 1.73,413 3.916,414 2.598,415 1.617,416 1.888,418 3.811,419 1.582,420 2.651,421 1.63,422 3.85,423 2.546,424 1.565,425 1.679,427 3.333,428 1.53,429 2.612,430 1.525,431 3.85,432 2.473,433 1.484,434 1.655,436 3.178,437 1.465,438 2.585,439 1.495,440 3.698,441 2.447,442 1.458,443 1.603,445 3.111,446 1.44,447 2.499,448 1.229,449 3.492,450 2.181,451 1.191,452 1.499,454 2.543,455 1.178,456 2.464,457 1.162,458 3.49,459 2.131,460 1.134,461 1.463,463 2.543,464 1.13,465 2.191,466 1.162,467 3.472,468 2.131,469 1.133,470 1.191,472 2.493,473 1.13,474 20.467,475 0.487,476 0.775,477 0.018,478 37.5,479 0.893,480 13,481 0.31,482 24.5,483 0.583,484 61.124,485 1.455,486 49.733,487 0.488,488 24.489,489 0.583,490 5.498,491 0.131,492 14.985,493 0.357,494 0.081,495 0.049,496 0.137,501 1.019,502 1.394,503 1.137,504 1.269,505 0.987,506 1.221,507 0.927,508 1.201,509 1.128,510 1.156,511 0.517,512 1.145,513 0.883,514 1.131,515 1.03,516 1.076,517 0.695,518 1.061,519 0.777,520 1.105,521 1.064,522 1.088,523 0.539,524 1.088,525 0.743,526 1.023,527 0.983,528 1.022,529 0.615,530 1.014,531 1.04,532 1.052,533 1.079,534 1.072,535 1.154,536 1.08,537 1.035,538 0.856,539 0.908,540 0.879,541 1.101,542 0.885,543 1.139,544 0.918,545 1.008,546 0.945,547 1.233,548 0.969,549 8.5,550 0.131,551 4.222,552 2.875,553 1.85,554 1.237,555 0.599,556 0.373,557 0.202,558 0.161,559 37059,560 63097,561 2.05,562 58.8,563 30,564 20,567 2,569 8,572 1.801,573 1.953,574 4.089,575 -0.017,582 122.753,583 1.203,584 2.518,585 3.628,586 4.56,587 4.873,588 5.069,589 3.404,590 4.392,591 5.375,592 4.367,593 3759.77,594 9.431,595 77871.5,600 680.587,601 1.28,602 5.33,603 0.189,604 0.004,605 0.07,606 0.04,607 0.028,608 0.019,609 0.012,610 0.009,611 0.006,612 0.005,613 0.382,614 0.33,615 0.63,616 0.661,617 250.399,618 -0.01,619 -0.063,620 0.041,621 0.013,622 -0.029,623 0.025,624 -0.041,625 0.005,626 -0.034,627 -0.025,628 0.091,629 -0.026,630 -0.011,631 -0.038,632 0.004,633 -0.013,634 0.031,635 -0.005,636 -0.031,637 -0.056,638 -0.066,639 -0.071,640 0.011,641 -0.07,642 0.004,643 -0.02,644 -0.009,645 -0.03,646 0.013,647 -0.02,648 0.015,649 -0.086,650 -0.096,651 -0.096,652 -0.037,653 -0.104,654 -0.014,655 0.045,656 0.038,657 0.042,658 -0.032,659 0.044,660 -0.081,661 0.002,662 -0.049,664 -0.091,665 -0.02,666 1.262,667 4.104,668 0.619,669 52.163,670 0.975,671 1.132,672 5.987,673 35.839,674 0.618,675 3.829,676 4.111,677 4.357,678 4.575,679 4.771,680 4.812,681 4.82,682 4.796,683 4.718,684 4.691,685 11.415,686 0.556,687 577,688 3.829,689 5.352,690 6.184,691 7.052,692 7.909,693 8.787,694 9.656,695 10.54,696 11.416,697 12.303,698 2,701 2,715 8,720 4,722 12,738 2,741 102,743 12,744 2,745 45,747 105,748 38,749 12,750 4,751 8,756 4,757 4,763 2,764 2,766 2,767 6,770 16,772 12,773 26,793 60,794 4,795 2,796 4,802 2,808 1,809 2,829 2,830 2,855 2,859 4,864 2,868 42,875 2,876 22,881 2,882 2,893 2,895 2,901 21.5,902 17.967,903 9.667,904 7.436,907 1.604,908 1.197,909 0.911,910 13.393,911 9.738,912 3.951,913 4.382,914 4.808,915 5.238,916 5.658,917 5.669,918 5.809,919 5.806,920 5.782,921 5.778,922 0.917,923 71,924 15.721,926 6.484,927 0.026,929 7.361,931 32.152,933 27.4,936 1.861,937 78.167,941 682.724,942 153.018,943 6.249,945 85.367,948 153.018,949 768.091,950 6.249,951 17.65,952 53.187,953 75.81,954 85.367,955 12.62,957 682.724,959 682.724,960 159.267,961 85.367,964 588.555,965 179.536,968 77.086,969 82.181,972 682.724,973 91.615,974 153.018,977 682.724,978 59.558,979 99.709,981 85.367,982 682.724,983 91.615,984 153.018,986 0.562,987 0.333,988 0.183,989 0.101,990 24,991 10,992 0.143,993 15,995 1,996 5.236,997 390.874,999 26,1000 184.477,1005 33.184,1006 16.951,1007 9.643,1009 91.615,1010 16.115,1015 3.464,1017 85.367,1018 927.358,1019 51,1031 99.483,1032 115.456,1034 0.18,1035 0.377,1036 0.544,1037 0.683,1038 0.73,1039 0.76,1040 5.198,1041 1.673,1042 6.172,1043 4.517,1044 4.796,1045 5.069,1046 1.072,1047 7.022,1048 4.753,1049 6.339,1050 1.617,1051 7.758,1052 4.516,1053 4.443,1054 4.745,1055 0.57,1056 8.461,1057 4.374,1058 7.632,1059 1.565,1060 9.483,1061 3.811,1062 6.469,1063 7.051,1064 0.653,1065 11.527,1066 6.399,1067 8.967,1068 1.484,1069 11.305,1070 3.333,1071 7.057,1072 7.588,1073 0.479,1074 13.866,1075 6.988,1076 10.349,1077 1.458,1078 13.196,1079 3.178,1080 8.547,1081 9.389,1082 0.432,1083 16.597,1084 8.474,1085 11.762,1086 1.191,1087 15.134,1088 3.111,1089 9.545,1090 10.317,1091 0.346,1092 19.165,1093 9.482,1094 13.201,1095 1.134,1096 17.104,1097 2.543,1098 10.861,1099 11.91,1100 0.291,1101 21.827,1102 10.797,1103 3.501,1104 1.133,1105 19.095,1106 2.543,1107 12.02,1108 13.029,1109 0.237,1110 24.449,1111 11.963,1112 3.501,1113 14.009,1114 21.1,1115 2.493,1116 13.286,1117 14.521,1118 0.195,1119 27.094,1120 13.228,1121 2.483,1122 14.009,1123 23.114,1124 3.912,1125 14.505,1126 15.742,1127 0.158,1128 29.729,1129 14.448,1130 2.483,1131 7.068,1132 25.135,1133 3.912,1134 15.758,1135 17.18,1136 0.129,1137 32.371,1138 15.7,1139 2.325,1140 7.068,1141 27.16,1142 3.159,1143 16.998,1144 18.458,1145 0.104,1146 35.009,1147 16.939,1148 2.324,1149 6.458,1150 29.188,1151 3.159,1152 18.249,1153 19.865,1154 0.084,1155 37.649,1156 18.188,1157 1.894,1158 6.458,1159 31.218,1160 2.43,1161 19.497,1162 21.178,1163 0.068,1164 40.289,1165 19.434,1166 35236,1167 46138,1168 30.159,1169 63.001,1170 64.048,1171 63.611,1172 69.149,1173 64.284,1174 64.104,1175 72.814,1176 3.2,1177 178.964,1178 62.671,1179 5.587,1180 5.709,1181 7.572,1182 5.521,1183 5.501,1184 6.912,1185 1.2,1186 21.514,1187 5.487,1188 19.004,1189 1.423,1190 1.414,1191 1.537,1192 1.429,1193 1.425,1194 1.618,1195 0.071,1196 3.977,1197 1.393,1198 4.047,1199 4.089,1200 3.963,1201 3.964,1202 6.473,1203 3.959,1204 3.981,1205 4.018,1206 3.909,1207 3.91,1208 6.468,1209 3.905,1210 3.818,1211 3.873,1212 3.692,1213 3.703,1214 4.66,1215 3.69,1216 3.775,1217 3.827,1218 3.663,1219 3.648,1220 4.626,1221 3.643,1222 3.73,1223 3.785,1224 3.586,1225 3.613,1226 4.343,1227 3.6,1228 3.619,1229 3.685,1230 3.451,1231 3.494,1232 4.304,1233 3.474,1234 3.491,1235 3.566,1236 3.32,1237 3.342,1238 4.172,1239 3.325,1240 3.464,1241 3.541,1242 3.274,1243 3.323,1244 4.065,1245 3.3,1246 0.102,1247 0.082,1248 0.17,1249 0.1,1250 0.078,1251 4.587,1252 0.087,1253 3.709,1254 0.018,1255 7.647,1256 0.311,1257 4.497,1258 0.077,1259 3.501,1260 3.912,1261 0.8,1262 14.009,1263 3.487,1264 1.961,1265 1.935,1266 2.094,1267 2.055,1268 1.451,1269 2.069,1270 1.961,1271 1.935,1272 2.092,1273 2.053,1274 1.445,1275 2.067,1276 1.823,1277 1.761,1278 2.063,1279 1.983,1280 1.425,1281 2.013,1282 1.738,1283 1.669,1284 1.98,1285 1.93,1286 1.331,1287 1.95,1288 1.687,1289 1.632,1290 1.928,1291 1.862,1292 1.263,1293 1.89,1294 1.679,1295 1.63,1296 1.895,1297 1.822,1298 1.201,1299 1.849,1300 1.647,1301 1.583,1302 1.859,1303 1.81,1304 1.056,1305 1.829,1306 1.56,1307 1.491,1308 1.829,1309 1.739,1310 0.971,1311 1.775,1312 4.511,1314 5.802,1316 7.29,1317 3.367,1318 8.877,1319 5.889,1320 10.522,1322 4.661,1327 20.208,1328 27.908,1333 5.439,1334 0.371,1340 56.75,1341 122.753,1342 256.885,1343 370.058,1344 465.078,1345 497.078,1346 517.078,1347 99.951,1348 8.134,1349 46.94,1350 46.94,1351 26,1352 12.836,1353 3.7,1354 2.807,1355 80.175,1356 305,1357 200,1358 0.125,1359 349.723,1360 618.46,1361 845.083,1362 55768,1364 29.677,1365 0.707,1366 0.642,1367 29.677,1368 26.964,1369 20.483,1370 0.455,1371 0.389,1372 17.429,1373 20.138,1374 16.956,1375 14.163,1376 20.483,1377 17.523,1378 17.407,1379 0.29,1380 0.228,1381 17.407,1382 13.663,1383 14.452,1384 0.188,1385 0.14,1386 14.452,1387 10.781,1388 11.739,1389 0.122,1390 0.083,1391 11.739,1392 8.011,1393 9.49,1394 0.081,1395 0.051,1396 9.49,1397 6.022,1398 0.211,1399 125.278,1400 0.182,1401 38.79,1402 0.306,1403 210,1404 381.59,1405 218.37,1406 380.954,1407 526.62,1408 358,1409 242,1410 386.286,1411 250.984,1412 398.736,1413 579.06,1414 376,1415 5.237}
{0 CHEMBL260308,1 1.472,2 15.567,3 5.101,4 26.021,5 120.414,6 6.478,7 0.344,8 4.223,9 4.362,10 3.66,11 3.707,12 5.2,13 3.656,14 4.814,15 5.015,16 3.937,17 4.11,18 5.854,19 4.011,20 5.106,21 5.387,22 3.952,23 4.245,24 5.825,25 4.104,26 5.103,27 5.377,28 3.908,29 4.215,30 5.892,31 4.077,32 5.077,33 5.345,34 3.837,35 4.211,36 5.85,37 4.06,38 5.094,39 5.368,40 3.724,41 4.204,42 5.823,43 4.02,44 5.092,45 5.391,46 3.585,47 4.114,48 5.786,49 3.904,50 4.965,51 5.276,52 3.461,53 3.939,54 5.656,55 3.734,56 0.2,57 0.917,58 15.539,59 6.135,60 10.085,61 8.822,62 0.488,63 1.449,64 28.575,65 10.247,66 65.946,67 15.247,68 0.314,69 1.757,70 38.006,71 12.607,72 30.719,73 19.815,74 0.436,75 1.728,76 38.402,77 12.011,78 44.417,79 18.919,80 0.425,81 1.681,82 37.263,83 12.307,84 42.027,85 18.884,86 0.351,87 1.651,88 37.578,89 13.149,90 40.08,91 19.884,92 0.415,93 1.544,94 37.646,95 12.729,96 44.244,97 19.541,98 0.351,99 1.331,100 33.267,101 10.76,102 39.014,103 16.781,104 19,105 40,106 0.237,107 0.501,108 0.685,109 0.828,110 0.882,111 0.892,112 3.439,113 1.067,114 -4.75,115 -4.67,116 -4.38,121 35.9,123 10,127 4,144 4,145 2,146 1,148 2,168 3,176 12,179 3,180 5,185 5,187 11,192 6,197 5,200 7,206 6,209 1,211 5,214 9,219 4,223 1,224 3,227 14,232 4,239 14,244 3,247 1,249 3,251 10,259 1,261 3,264 3,269 1,272 3,274 5,277 2,281 1748,282 20.761,283 20.761,284 20.761,285 20.761,286 20.761,287 19.084,288 21.075,289 13.323,290 21.004,291 15.903,292 15.903,293 15.903,294 15.903,295 15.903,296 13.32,297 21.354,298 6.466,299 16.296,300 4.528,301 2.896,302 1.754,303 0.867,304 0.531,305 0.469,306 4.131,311 1,312 1,313 995,314 4.301,318 226.111,322 259.717,325 2.453,326 23.023,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 65,338 467,339 4.64,340 4.674,341 6.829,342 4.207,343 3.226,344 4.564,345 4.929,346 11.348,347 3.162,348 3.914,349 3.361,350 5.982,351 3.524,352 2.532,353 3.437,354 0.4,355 8.37,356 2.512,357 3.828,358 2.669,359 5.381,360 3.212,361 2.236,362 3.333,363 0.4,364 6.711,365 2.179,366 3.522,367 2.357,368 4.659,369 3.136,370 2.182,371 2.893,372 0.341,373 5.184,374 2.079,375 2.95,376 2.194,377 4.116,378 2.902,379 1.931,380 2.142,382 3.891,383 1.876,384 2.934,385 2.097,386 3.99,387 2.743,388 1.755,389 1.946,391 3.604,392 1.731,393 2.791,394 1.802,395 3.905,396 2.52,397 1.541,398 1.797,400 3.329,401 1.51,402 2.619,403 1.666,404 3.744,405 2.457,406 1.483,407 1.647,409 3.319,410 1.438,411 2.522,412 1.522,413 3.594,414 2.345,415 1.347,416 1.52,418 3.03,419 1.343,420 2.484,421 1.437,422 3.593,423 2.242,424 1.247,425 1.482,427 2.902,428 1.24,429 2.25,430 1.35,431 3.428,432 2.162,433 1.2,434 1.238,436 2.537,437 1.15,438 1.997,439 1.27,440 3.146,441 1.865,442 0.906,443 0.964,445 1.981,446 0.865,447 1.763,448 1.024,449 2.898,450 1.607,451 0.64,452 0.697,454 1.369,455 0.616,456 1.473,457 1,458 2.763,459 1.282,460 0.333,461 0.364,463 0.71,464 0.315,465 1.23,466 0.733,467 2.452,468 0.991,469 0.038,470 0.042,472 0.086,473 0.036,474 14.1,475 0.47,476 0.418,477 0.014,478 32,479 1.067,480 13.5,481 0.45,482 18.5,483 0.617,484 30.049,485 1.002,486 35.1,487 0.548,488 20.795,489 0.693,490 5.597,491 0.187,492 9.157,493 0.305,494 0.047,496 0.206,501 0.487,502 1.318,503 0.917,504 1.215,505 0.482,506 1.142,507 0.553,508 1.276,509 1.021,510 1.211,511 0.288,512 1.185,513 0.585,514 1.042,515 0.832,516 0.946,517 0.337,518 0.92,519 0.878,520 0.993,521 1,522 0.948,523 0.727,524 0.975,525 0.876,526 0.951,527 1.08,528 1.004,529 0.744,530 1.054,531 0.748,532 1.059,533 1.08,534 1.135,535 0.7,536 1.154,537 0.66,538 0.98,539 0.979,540 1.046,541 0.665,542 1.06,543 0.675,544 0.964,545 0.897,546 0.985,547 0.709,548 0.977,549 3,550 0.078,551 2,552 1.313,553 1.2,554 0.438,555 0.3,556 0.161,557 0.123,558 0.097,559 14504,560 37237,561 2.071,562 53.1,563 10,564 12,567 2,568 2,569 8,572 1.718,573 2,574 3.797,575 0.21,582 94.229,583 1.472,584 3.104,585 4.246,586 5.133,587 5.469,588 5.531,589 3.178,590 4.215,591 4.872,592 4.104,593 1785.06,594 8.444,595 28406.2,600 384,601 1.053,602 4.867,603 0.094,604 0.004,605 0.05,606 0.032,607 0.032,608 0.013,609 0.01,610 0.006,611 0.006,612 0.005,613 0.25,614 0.17,615 0.88,616 2.714,617 161.691,618 0.265,619 0.043,620 0.061,621 0.03,622 0.069,623 0.011,624 0.272,625 -0.105,626 -0.05,627 -0.082,628 0.34,629 -0.107,630 0.011,631 -0.021,632 0.105,633 0.064,634 0.039,635 0.095,636 -0.076,637 0.042,638 -0.031,639 0.035,640 -0.051,641 0.013,642 -0.101,643 0.092,644 -0.118,645 0.003,646 -0.076,647 -0.049,648 -0.069,649 -0.062,650 -0.143,651 -0.106,652 -0.063,653 -0.131,654 0.016,655 -0.057,656 -0.046,657 -0.061,658 -0.023,659 -0.064,660 0.03,661 -0.068,662 0.042,663 -0.032,664 -0.009,665 -0.001,666 2.72,667 3.049,668 0.467,669 38.871,670 0.994,671 1.138,672 3.523,673 12.408,674 0.622,675 3.497,676 3.714,677 3.932,678 4.19,679 4.443,680 4.5,681 4.615,682 4.7,683 4.745,684 4.585,685 9.253,686 0.58,687 414.61,688 3.497,689 4.977,690 5.784,691 6.621,692 7.462,693 8.322,694 9.184,695 10.059,696 10.935,697 11.821,698 6.3,700 1,703 1,708 1,710 1,714 2,715 4,716 1,720 3,722 11,734 1,741 64,743 13,744 1,745 32,747 66,748 23,749 9,750 2,751 4,756 3,757 6,767 4,770 10,772 9,773 14,777 2,779 1,782 2,793 34,794 6,795 2,796 7,802 4,808 0.333,809 3,822 1,829 3,833 2,853 1,859 1,868 30,876 14,877 2,878 1,893 4.7,897 1,899 2,901 15,902 10.983,903 6.944,904 4.471,907 2.483,908 1.332,909 0.945,910 9.647,911 9.971,912 3.701,913 4.197,914 4.687,915 5.279,916 5.876,917 6.199,918 6.572,919 6.911,920 7.203,921 7.008,922 0.9,923 41,924 11.116,926 4.512,927 0.026,929 7.661,931 21.972,933 17.876,936 2.161,937 64.833,941 376.675,942 87.576,943 61.091,945 61.966,948 87.576,949 438.641,950 61.091,951 8.284,952 36.255,953 55.916,954 46.015,955 13.416,957 376.675,958 50.747,959 376.675,960 148.667,961 61.966,964 282.506,965 94.169,966 61.966,968 59.166,969 54.705,970 34.796,972 376.675,973 123.057,974 87.576,977 376.675,978 49.671,979 46.189,980 36.022,981 78.751,982 376.675,983 123.057,984 87.576,986 0.546,987 0.298,988 0.166,989 0.094,990 15,991 6,992 0.212,993 14,994 2,995 1.286,996 4.454,997 235.122,998 0.286,999 14,1000 145.207,1005 22.769,1006 12.71,1007 7.385,1008 2.354,1009 114.773,1010 8.476,1011 4.907,1015 4.028,1017 36.022,1018 587.308,1019 39.5,1021 -0.72,1024 20.099,1031 63.643,1032 72.849,1034 0.245,1035 0.517,1036 0.708,1037 0.855,1038 0.911,1039 0.922,1040 4.888,1041 1.483,1042 5.694,1043 3.329,1044 4.394,1045 4.883,1046 3.707,1047 6.422,1048 4.347,1049 6.021,1050 1.347,1051 7.183,1052 3.319,1053 3.611,1054 4.663,1055 4.354,1056 7.222,1057 3.561,1058 7.291,1059 1.247,1060 8.792,1061 3.03,1062 5.866,1063 7.048,1064 6.582,1065 10.406,1066 5.776,1067 8.609,1068 1.2,1069 10.483,1070 2.902,1071 6.043,1072 7.777,1073 7.826,1074 12.208,1075 5.947,1076 9.974,1077 0.906,1078 12.234,1079 2.537,1080 7.668,1081 9.619,1082 9.657,1083 14.886,1084 7.542,1085 11.372,1086 0.64,1087 14.026,1088 1.981,1089 8.36,1090 10.772,1091 11.105,1092 17.064,1093 8.222,1094 12.797,1095 0.333,1096 15.848,1097 1.369,1098 9.704,1099 12.41,1100 12.798,1101 19.578,1102 9.543,1103 3.226,1104 0.038,1105 17.691,1106 0.71,1107 10.657,1108 13.758,1109 14.33,1110 21.902,1111 10.479,1112 2.532,1113 11.348,1114 19.551,1115 0.086,1116 11.886,1117 15.32,1118 15.967,1119 24.361,1120 11.688,1121 2.236,1122 8.37,1123 21.421,1124 4.564,1125 12.961,1126 16.758,1127 17.535,1128 26.744,1129 12.743,1130 2.182,1131 6.711,1132 23.301,1133 3.437,1134 14.147,1135 18.29,1136 19.148,1137 29.184,1138 13.909,1139 1.931,1140 5.184,1141 25.187,1142 3.333,1143 15.276,1144 19.77,1145 20.731,1146 31.592,1147 15.017,1148 1.755,1149 3.891,1150 27.079,1151 2.893,1152 16.448,1153 21.292,1154 22.334,1155 34.024,1156 16.169,1157 1.541,1158 3.604,1159 28.975,1160 2.142,1161 17.6,1162 22.792,1163 23.924,1164 36.444,1165 17.3,1166 14176,1167 22907,1168 21.841,1169 39.807,1170 44.814,1171 48.162,1172 46.056,1173 45.137,1174 45.194,1175 56.133,1176 12.141,1177 116.742,1178 44.1,1179 5.612,1180 6.674,1181 6.782,1182 5.247,1183 5.226,1184 7.564,1185 8.199,1186 18.879,1187 5.162,1188 11.473,1189 1.4,1190 1.505,1191 1.439,1192 1.411,1193 1.412,1194 1.754,1195 0.379,1196 3.648,1197 1.378,1198 4.113,1199 4.145,1200 4.073,1201 4.041,1202 7.823,1203 4.045,1204 3.814,1205 3.874,1206 3.727,1207 3.655,1208 6.999,1209 3.643,1210 3.733,1211 3.781,1212 3.621,1213 3.64,1214 4.972,1215 3.627,1216 3.719,1217 3.772,1218 3.601,1219 3.528,1220 4.418,1221 3.516,1222 3.625,1223 3.673,1224 3.482,1225 3.303,1226 4.403,1227 3.321,1228 3.437,1229 3.514,1230 3.283,1231 3.177,1232 4.327,1233 3.184,1234 3.294,1235 3.364,1236 3.14,1237 3.016,1238 4.202,1239 3.086,1240 3.169,1241 3.245,1242 3.031,1243 2.963,1244 3.986,1245 2.98,1246 0.145,1247 0.146,1248 0.213,1249 0.131,1250 0.101,1251 4.64,1252 0.143,1253 4.674,1254 0.154,1255 6.829,1256 0.355,1257 4.207,1258 0.099,1259 3.226,1260 4.564,1261 4.929,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.435,1269 2.163,1270 1.778,1271 1.713,1272 2.024,1273 1.985,1274 1.368,1275 1.991,1276 1.754,1277 1.709,1278 1.953,1279 1.923,1280 1.283,1281 1.911,1282 1.688,1283 1.62,1284 1.941,1285 1.872,1286 1.144,1287 1.9,1288 1.486,1289 1.419,1290 1.76,1291 1.829,1292 1.051,1293 1.776,1294 1.322,1295 1.259,1296 1.579,1297 1.662,1298 0.811,1299 1.634,1300 1.204,1301 1.155,1302 1.457,1303 1.502,1304 0.748,1305 1.513,1306 1.137,1307 1.068,1308 1.422,1309 1.363,1310 0.625,1311 1.382,1312 4.174,1314 5.416,1316 6.86,1318 8.424,1320 10.068,1328 14.16,1329 7.222,1330 4.308,1340 37.132,1341 94.229,1342 198.639,1343 271.735,1344 328.49,1345 350,1346 354,1347 54.582,1348 7.487,1349 92,1350 92,1351 18,1352 12.356,1353 3.807,1354 3.087,1355 56.188,1356 166,1357 184,1358 0.158,1359 230.816,1360 402.11,1361 554.95,1362 21544,1364 21.02,1365 0.701,1366 0.594,1367 21.02,1368 17.828,1369 14.754,1370 0.461,1371 0.356,1372 11.246,1373 14.158,1374 11.083,1375 9.22,1376 14.754,1377 11.379,1378 12.177,1379 0.304,1380 0.2,1381 12.177,1382 7.991,1383 9.46,1384 0.189,1385 0.114,1386 9.46,1387 5.696,1388 7.843,1389 0.121,1390 0.064,1391 7.843,1392 4.133,1393 6.532,1394 0.078,1395 0.036,1396 6.532,1397 3.033,1398 0.267,1399 92.731,1400 0.214,1401 29.758,1402 0.39,1403 144,1404 409.163,1405 158.99,1406 388.459,1407 521.91,1408 362,1409 162,1410 385.387,1411 175.363,1412 379.054,1413 546.45,1414 357,1415 7.742}
{0 CHEMBL260964,1 1.558,2 14.781,3 2.847,4 8.103,5 122.761,6 6.885,7 0.314,8 4.251,9 4.389,10 3.751,11 3.717,12 5.267,13 3.69,14 4.836,15 5.037,16 4.064,17 4.125,18 5.805,19 4.058,20 5.128,21 5.389,22 4.106,23 4.228,24 6.068,25 4.131,26 5.066,27 5.323,28 4.039,29 4.146,30 6.039,31 4.066,32 4.997,33 5.226,34 3.927,35 4.124,36 5.963,37 4.033,38 4.995,39 5.232,40 3.845,41 4.151,42 5.961,43 4.012,44 5.049,45 5.329,46 3.714,47 4.1,48 5.835,49 3.926,50 4.969,51 5.263,52 3.617,53 3.914,54 5.823,55 3.765,56 0.177,57 0.972,58 14.945,59 5.794,60 10.933,61 8.285,62 0.4,63 1.529,64 28.345,65 9.467,66 32.838,67 14.407,68 0.714,69 1.776,70 39.94,71 11.285,72 65.549,73 18.338,74 0.591,75 1.647,76 37.773,77 10.159,78 64.599,79 16.302,80 0.649,81 1.538,82 35.106,83 10.247,84 62.913,85 15.341,86 0.576,87 1.54,88 34.366,89 11.719,90 73.493,91 17.308,92 0.386,93 1.511,94 36.679,95 12.048,96 47.342,97 18.582,98 0.535,99 1.315,100 34.98,101 9.502,102 58.821,103 15.391,104 5,105 46,106 0.25,107 0.542,108 0.704,109 0.806,110 0.857,111 0.867,112 3.501,113 1.001,114 -3.77,115 -3.73,116 -3.55,121 35.9,123 8,127 5,144 4,145 2,146 1,148 2,160 1,168 4,176 10,179 4,180 6,183 1,185 4,187 9,191 3,192 6,195 1,197 4,200 6,205 1,206 7,209 2,211 4,214 8,218 1,219 4,222 1,223 1,224 2,227 12,231 2,232 3,235 2,239 12,244 3,247 1,249 2,251 8,256 5,259 1,261 4,264 2,269 4,272 2,274 4,281 1868,282 22.156,283 22.156,284 22.156,285 22.156,286 22.156,287 20.285,288 25.912,289 13.673,290 22.431,291 17.33,292 17.33,293 17.33,294 17.33,295 17.33,296 14.365,297 27.992,298 6.528,299 17.757,300 4.442,301 2.621,302 1.61,303 0.969,304 0.656,305 0.594,306 4.202,311 1,312 1,313 1036,314 4.243,317 105.947,318 243.604,322 279.915,325 2.273,326 29.884,329 1,330 0.67,331 0.83,332 1,333 1,334 1,335 1,336 0.93,337 70,338 473,339 4.64,340 3.981,341 6.829,342 4.207,343 3.226,344 4.564,345 2.158,346 11.348,347 3.162,348 4.169,349 3.549,350 6.022,351 3.762,352 2.796,353 3.705,354 1.513,355 8.55,356 2.701,357 3.914,358 3.361,359 5.982,360 3.524,361 2.532,362 3.437,363 0.4,364 8.37,365 2.512,366 3.654,367 3.145,368 5.381,369 3.369,370 2.376,371 2.893,372 0.4,373 6.711,374 2.343,375 3.522,376 2.669,377 5.035,378 3.134,379 2.18,380 2.824,381 0.147,382 6.093,383 2.077,384 3.09,385 2.356,386 4.324,387 2.805,388 1.826,389 2.142,391 4.29,392 1.786,393 2.94,394 2.246,395 4.116,396 2.706,397 1.719,398 2.101,400 3.64,401 1.694,402 2.778,403 1.886,404 3.969,405 2.512,406 1.522,407 1.79,409 3.329,410 1.504,411 2.59,412 1.643,413 3.734,414 2.345,415 1.347,416 1.614,418 3.258,419 1.343,420 2.488,421 1.469,422 3.594,423 2.242,424 1.26,425 1.487,427 2.902,428 1.24,429 2.3,430 1.402,431 3.558,432 2.203,433 1.247,434 1.286,436 2.729,437 1.183,438 2.191,439 1.35,440 3.405,441 2.051,442 1.079,443 1.141,445 2.382,446 1.042,447 1.905,448 1.197,449 3.172,450 1.731,451 0.761,452 0.84,454 1.769,455 0.735,456 1.856,457 1.072,458 3,459 1.591,460 0.621,461 0.718,463 1.387,464 0.6,465 1.618,466 0.968,467 2.947,468 1.58,469 0.618,470 0.618,472 1.372,473 0.591,474 14.9,475 0.466,476 0.538,477 0.017,478 35,479 1.094,480 14.5,481 0.453,482 20.5,483 0.641,484 31.066,485 0.971,486 36.7,487 0.573,488 25.483,489 0.796,490 6.504,491 0.203,492 9.216,493 0.288,494 0.045,496 0.255,501 0.542,502 1.31,503 0.839,504 1.205,505 0.478,506 1.092,507 0.679,508 1.26,509 0.955,510 1.169,511 0.508,512 1.116,513 0.761,514 1.041,515 0.899,516 0.937,517 0.73,518 0.928,519 1.176,520 0.943,521 1.005,522 0.888,523 1.185,524 0.903,525 1.489,526 0.869,527 1.251,528 0.957,529 1.414,530 1.053,531 0.846,532 1.047,533 1.15,534 1.198,535 0.7,536 1.231,537 0.682,538 1.085,539 0.974,540 1.157,541 0.745,542 1.128,543 1.079,544 0.921,545 0.985,546 0.901,547 1.232,548 0.925,549 4,550 0.165,551 3.111,552 1.715,553 1.45,554 0.573,555 0.438,556 0.214,557 0.161,558 0.142,559 17770,560 42284,561 2.12,562 50,563 6,564 14,567 2,568 2,569 8,572 1.736,573 2.043,574 3.76,575 0.239,577 1,582 99.693,583 1.558,584 3.379,585 4.39,586 5.031,587 5.344,588 5.406,589 3.104,590 4.226,591 4.975,592 4.048,593 2007.9,594 8.65,595 32854.2,597 1,600 384,601 1.122,602 4.957,603 0.114,604 0.007,605 0.068,606 0.037,607 0.034,608 0.015,609 0.013,610 0.007,611 0.006,612 0.006,613 0.307,614 0.33,615 1,616 0.406,617 174.481,618 0.221,619 0.041,620 0.077,621 -0.004,622 0.071,623 0.001,624 0.147,625 -0.081,626 -0.011,627 -0.079,628 0.103,629 -0.078,630 0.151,631 -0.027,632 0.081,633 0.037,634 0.09,635 0.051,636 -0.089,637 0.078,638 0.001,639 0.057,640 -0.073,641 0.05,642 -0.227,643 0.174,644 -0.238,645 0.031,646 -0.215,647 -0.088,648 0.055,649 -0.026,650 -0.195,651 -0.137,652 0.114,653 -0.202,654 0.037,655 -0.161,656 -0.03,657 -0.137,658 -0.003,659 -0.103,660 -0.065,661 -0.04,662 0.016,663 0.024,664 -0.093,665 0.032,666 1.939,667 4.854,668 0.594,669 36.523,670 1.001,671 1.141,672 2.539,673 6.448,674 0.63,675 3.584,676 3.85,677 4.111,678 4.357,679 4.543,680 4.605,681 4.691,682 4.771,683 4.82,684 4.691,685 9.067,686 0.596,687 440.61,688 3.584,689 5.094,690 5.927,691 6.781,692 7.636,693 8.502,694 9.368,695 10.242,696 11.116,697 11.997,698 9.4,701 1,703 1,705 1,708 1,711 1,712 1,714 2,715 4,716 1,720 3,722 11,734 1,741 64,743 14,744 1,745 35,747 67,748 23,749 9,750 2,751 4,756 4,757 7,767 6,770 8,772 10,773 13,777 3,779 1,782 2,785 1,786 1,793 32,794 8,795 2,796 9,802 6,808 0.5,809 3,822 1,825 1,828 1,829 3,833 2,843 1,859 2,868 32,876 13,877 2,878 1,881 1,893 4.7,896 2,898 1,901 15.667,902 11.133,903 7.222,904 4.322,907 2.78,908 1.359,909 0.967,910 8.268,911 10.524,912 3.795,913 4.324,914 4.848,915 5.39,916 5.941,917 6.266,918 6.608,919 6.937,920 7.225,921 7.044,922 1,923 46,924 11.897,926 4.989,927 0.026,929 7.688,931 23.215,933 19.168,936 2.188,937 70,941 353.133,942 89.317,943 78.013,945 61.737,948 89.317,949 414.87,950 78.013,952 54.229,953 37.905,954 90.019,955 27.637,956 19.277,957 353.133,959 353.133,960 167.33,961 61.737,964 261.891,965 155.906,968 59.205,969 51.125,970 54.074,972 353.133,973 139.75,974 89.317,977 353.133,978 51.412,979 43.834,980 36.022,981 97.8,982 353.133,983 139.75,984 89.317,986 0.562,987 0.327,988 0.18,989 0.094,990 20,991 8,992 0.149,993 10,994 2,995 1.211,996 4.595,997 270.309,998 0.211,999 19,1000 156,1005 22.905,1006 11.551,1007 6.166,1008 2.235,1009 136.823,1010 8.314,1011 4.879,1015 3.825,1017 36.022,1018 582.201,1019 43.5,1021 0.438,1024 23.51,1027 3.425,1028 -0.272,1031 64.08,1032 73.016,1034 0.26,1035 0.563,1036 0.732,1037 0.839,1038 0.891,1039 0.901,1040 5.016,1041 1.522,1042 5.866,1043 3.64,1044 4.533,1045 5.011,1046 2.665,1047 6.632,1048 4.485,1049 6.172,1050 1.347,1051 7.388,1052 3.329,1053 3.892,1054 4.82,1055 1.593,1056 7.476,1057 3.84,1058 7.46,1059 1.26,1060 9.021,1061 3.258,1062 6.061,1063 7.189,1064 3.808,1065 10.619,1066 5.967,1067 8.793,1068 1.247,1069 10.726,1070 2.902,1071 6.347,1072 7.918,1073 3.201,1074 12.394,1075 6.243,1076 10.167,1077 1.079,1078 12.48,1079 2.729,1080 7.898,1081 9.745,1082 5.151,1083 15.038,1084 7.76,1085 11.569,1086 0.761,1087 14.268,1088 2.382,1089 8.633,1090 10.886,1091 4.839,1092 17.183,1093 8.48,1094 12.993,1095 0.621,1096 16.08,1097 1.769,1098 9.931,1099 12.513,1100 6.568,1101 19.674,1102 9.753,1103 3.226,1104 0.618,1105 17.91,1106 1.387,1107 10.887,1108 13.847,1109 6.476,1110 21.974,1111 10.69,1112 2.796,1113 11.348,1114 19.754,1115 1.372,1116 12.085,1117 15.397,1118 8.023,1119 24.418,1120 11.866,1121 2.532,1122 8.55,1123 21.609,1124 4.564,1125 13.146,1126 16.824,1127 8.101,1128 26.787,1129 12.907,1130 2.376,1131 8.37,1132 23.472,1133 3.705,1134 14.309,1135 18.347,1136 9.499,1137 29.216,1138 14.05,1139 2.18,1140 6.711,1141 25.343,1142 3.437,1143 15.421,1144 19.818,1145 9.711,1146 31.617,1147 15.141,1148 1.826,1149 6.093,1150 27.22,1151 2.893,1152 16.576,1153 21.333,1154 10.988,1155 34.043,1156 16.277,1157 1.719,1158 4.29,1159 29.103,1160 2.824,1161 17.712,1162 22.826,1163 11.307,1164 36.458,1165 17.393,1166 16633,1167 25865,1168 24.038,1169 40.296,1170 50.496,1171 54.593,1172 51.677,1173 50.702,1174 50.747,1175 62.919,1176 9.237,1177 137.436,1178 49.528,1179 5.598,1180 5.981,1181 6.653,1182 5.252,1183 5.226,1184 7.564,1185 4.105,1186 18.879,1187 5.162,1188 10.945,1189 1.443,1190 1.56,1191 1.476,1192 1.449,1193 1.45,1194 1.798,1195 0.264,1196 3.927,1197 1.415,1198 4.114,1199 4.146,1200 4.074,1201 4.041,1202 7.478,1203 4.045,1204 3.92,1205 3.994,1206 3.854,1207 3.672,1208 7.429,1209 3.686,1210 3.742,1211 3.806,1212 3.625,1213 3.65,1214 4.972,1215 3.637,1216 3.729,1217 3.78,1218 3.609,1219 3.561,1220 4.784,1221 3.558,1222 3.577,1223 3.631,1224 3.456,1225 3.317,1226 4.413,1227 3.349,1228 3.442,1229 3.514,1230 3.349,1231 3.164,1232 4.271,1233 3.168,1234 3.29,1235 3.349,1236 3.16,1237 2.998,1238 4.257,1239 3.075,1240 3.158,1241 3.233,1242 3.03,1243 2.959,1244 4.098,1245 2.975,1246 0.133,1247 0.114,1248 0.195,1249 0.12,1250 0.092,1251 4.64,1252 0.13,1253 3.981,1254 0.062,1255 6.829,1256 0.324,1257 4.207,1258 0.09,1259 3.226,1260 4.564,1261 2.158,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.435,1269 2.163,1270 1.754,1271 1.709,1272 1.96,1273 2.002,1274 1.286,1275 1.938,1276 1.712,1277 1.645,1278 1.945,1279 1.91,1280 1.211,1281 1.902,1282 1.577,1283 1.507,1284 1.86,1285 1.872,1286 1.143,1287 1.886,1288 1.551,1289 1.477,1290 1.721,1291 1.751,1292 0.97,1293 1.793,1294 1.444,1295 1.383,1296 1.663,1297 1.719,1298 0.844,1299 1.704,1300 1.289,1301 1.234,1302 1.522,1303 1.512,1304 0.754,1305 1.52,1306 1.146,1307 1.072,1308 1.448,1309 1.388,1310 0.697,1311 1.382,1312 4.263,1314 5.541,1315 2.398,1316 7.017,1317 4.443,1318 8.597,1319 6.293,1320 10.243,1328 10.783,1329 6.448,1330 4.866,1333 1.55,1340 38.121,1341 99.693,1342 216.279,1343 280.98,1344 322,1345 342,1346 346,1347 59.547,1348 7.744,1349 107.6,1350 107.6,1351 23,1352 12.534,1353 3.907,1354 3.248,1355 52.492,1356 179,1357 156,1358 0.138,1359 234.083,1360 409.11,1361 562.924,1362 30712,1364 22.175,1365 0.693,1366 0.579,1367 22.175,1368 18.515,1369 15.72,1370 0.449,1371 0.334,1372 11.51,1373 14.992,1374 11.355,1375 9.386,1376 15.72,1377 11.683,1378 13.366,1379 0.291,1380 0.182,1381 13.366,1382 8.389,1383 11.186,1384 0.186,1385 0.101,1386 11.186,1387 6.044,1388 9.241,1389 0.12,1390 0.057,1391 9.241,1392 4.377,1393 7.108,1394 0.076,1395 0.031,1396 7.108,1397 2.86,1398 0.23,1399 99.482,1400 0.204,1401 31.075,1402 0.346,1403 162,1404 478.453,1405 181.296,1406 453.18,1407 616.26,1408 424,1409 187,1410 463.307,1411 207.546,1412 455.045,1413 659.02,1414 429,1415 7.295}
{0 CHEMBL26125,1 1.542,2 19.907,3 6.67,4 44.494,5 162.916,6 7.769,7 0.511,8 4.406,9 4.509,10 4.002,11 3.98,12 5.564,13 3.965,14 4.933,15 5.084,16 4.35,17 4.35,18 6.116,19 4.32,20 5.201,21 5.387,22 4.404,23 4.486,24 6.321,25 4.43,26 5.267,27 5.483,28 4.381,29 4.462,30 6.433,31 4.386,32 5.26,33 5.479,34 4.313,35 4.435,36 6.388,37 4.361,38 5.208,39 5.421,40 4.28,41 4.42,42 6.437,43 4.325,44 5.156,45 5.39,46 4.125,47 4.372,48 6.137,49 4.253,50 5.092,51 5.32,52 4.075,53 4.242,54 6.149,55 4.15,56 0.064,57 1.116,58 13.722,59 7.248,60 12.949,61 8.593,62 0.394,63 1.817,64 26.707,65 11.781,66 41.981,67 14.372,68 0.598,69 2.306,70 38.505,71 15.65,72 81.547,73 18.928,74 0.778,75 2.435,76 43.462,77 16.998,78 115.773,79 21.913,80 0.82,81 2.305,82 44.346,83 16.559,84 122.79,85 20.639,86 0.996,87 2.14,88 41.135,89 16.021,90 146.514,91 20.948,92 0.472,93 2.027,94 39.055,95 16.024,96 73.246,97 21.283,98 0.7,99 1.89,100 38.162,101 14.387,102 97.586,103 18.204,104 27,105 64,106 0.235,107 0.544,108 0.725,109 0.832,110 0.855,111 0.859,112 3.787,113 0.903,114 -6.79,115 -6.61,116 -6.12,121 46.7,122 1,123 1,127 5,137 1,138 1,144 15,145 5,146 4,160 2,176 20,179 1,180 10,183 1,185 1,187 25,192 11,195 1,197 1,200 16,205 1,206 14,211 2,214 12,218 1,219 9,224 2,227 15,231 1,232 7,237 2,239 19,244 6,247 1,249 1,251 19,255 2,256 4,261 1,264 15,268 1,269 6,272 1,274 1,277 14,281 4535,282 29.143,283 29.143,284 29.143,285 29.143,286 29.143,287 25.752,288 33.49,289 17.444,290 29.671,291 23.219,292 23.219,293 23.219,294 23.219,295 23.219,296 18.028,297 42.451,298 8.346,299 24.034,300 4.687,301 2.666,302 1.478,303 0.777,304 0.623,305 0.597,306 4.491,313 1845,314 4.416,318 785.557,322 233.48,325 3.774,326 54.074,329 0.5,330 0.5,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.51,337 94,338 856,339 4.477,340 3.727,341 6.535,342 4.099,343 3.118,344 4.086,345 1.987,346 10.312,347 3.06,348 4.177,349 3.617,350 6.091,351 3.772,352 2.797,353 3.817,354 1.674,355 8.882,356 2.726,357 4.151,358 3.118,359 5.707,360 3.761,361 2.785,362 3.757,363 0.995,364 8.061,365 2.718,366 3.954,367 3.08,368 5.661,369 3.653,370 2.686,371 3.458,372 0.86,373 7.924,374 2.6,375 3.84,376 3.023,377 5.351,378 3.446,379 2.454,380 3.285,381 0.359,382 6.986,383 2.434,384 3.673,385 2.733,386 5.252,387 3.351,388 2.367,389 2.894,390 0.324,391 6.65,392 2.307,393 3.531,394 2.636,395 5.129,396 3.184,397 2.244,398 2.823,400 6.357,401 2.099,402 3.37,403 2.592,404 5.044,405 3.044,406 2.08,407 2.549,409 5.827,410 1.99,411 3.232,412 2.509,413 4.827,414 2.851,415 1.88,416 2.481,418 5.369,419 1.81,420 3.194,421 2.346,422 4.634,423 2.804,424 1.879,425 2.382,427 4.987,428 1.764,429 3.184,430 2.191,431 4.618,432 2.787,433 1.833,434 2.314,436 4.963,437 1.678,438 2.955,439 1.791,440 4.502,441 2.514,442 1.542,443 2.097,445 4.464,446 1.487,447 2.817,448 1.771,449 3.668,450 2.405,451 1.412,452 1.922,454 3.022,455 1.401,456 2.541,457 1.514,458 3.583,459 2.319,460 1.359,461 1.5,463 2.924,464 1.291,465 2.5,466 1.218,467 3.57,468 2,469 1,470 1.5,472 2.351,473 1,474 20.205,475 0.47,476 0.988,477 0.023,478 56.25,479 1.308,480 29.5,481 0.686,482 26.75,483 0.622,484 37.418,485 0.87,486 45.795,487 0.611,488 49.508,489 1.151,490 11.639,491 0.271,492 9.216,493 0.214,494 0.086,496 0.317,499 2,501 0.629,502 1.022,503 0.719,504 1.04,505 0.53,506 0.93,507 0.746,508 0.97,509 0.853,510 0.998,511 0.54,512 0.954,513 1.052,514 1.006,515 1.054,516 1.043,517 0.948,518 1.044,519 0.738,520 0.931,521 0.888,522 1.046,523 0.667,524 1.014,525 1.076,526 0.886,527 1.031,528 0.939,529 1.109,530 0.961,531 0.632,532 0.756,533 0.947,534 0.989,535 0.535,536 1.038,537 0.609,538 0.868,539 0.936,540 1.068,541 0.611,542 1.082,543 1.011,544 0.845,545 1.014,546 0.938,547 1.025,548 0.973,549 9.5,550 0.318,551 3.333,552 2.938,553 2.324,554 1.25,555 0.967,556 0.472,557 0.479,558 0.291,559 40427,560 114964,561 2.086,562 42.7,564 26,567 1,568 2,569 3,572 1.809,573 1.969,574 4.225,575 -0.438,582 115.636,583 1.542,584 3.563,585 4.751,586 5.452,587 5.605,588 5.632,589 3.746,590 4.961,591 5.391,592 4.485,593 4050.27,594 9.498,595 83412.9,600 467.161,601 1.338,602 5.365,603 0.202,604 0.007,605 0.052,606 0.045,607 0.038,608 0.022,609 0.018,610 0.01,611 0.011,612 0.006,613 0.411,614 0.17,615 0.5,616 0.613,617 257.5,618 -0.02,619 -0.058,620 0.042,621 -0.026,622 -0.033,623 0.013,624 0.031,625 -0.018,626 0.006,627 -0.019,628 0.064,629 -0.011,630 -0.1,631 -0.026,632 -0.114,633 -0.062,634 -0.088,635 -0.083,636 0.109,637 -0.063,638 0.083,639 -0.069,640 0.128,641 -0.016,642 -0.076,643 0.037,644 -0.03,645 0.033,646 -0.081,647 0.021,648 0.189,649 0.061,650 0.015,651 -0.012,652 0.207,653 -0.039,654 0.03,655 -0.059,656 0.012,657 -0.075,658 -0.01,659 -0.046,660 -0.048,661 0.029,662 -0.004,663 0.041,664 -0.101,665 0.029,666 2.396,667 5.874,668 0.651,669 81.217,670 1.009,671 1.122,672 5.563,673 30.95,674 0.678,675 3.871,676 4.174,677 4.394,678 4.654,679 4.875,680 4.927,681 5.017,682 5.182,683 5.273,684 5.333,685 11.64,686 0.655,687 582.69,688 3.871,689 5.407,690 6.236,691 7.101,692 7.944,693 8.813,694 9.664,695 10.536,696 11.391,697 12.266,698 2.7,701 1,705 1,715 15,720 9,722 24,739 1,740 2,741 75,743 27,744 4,745 47,747 79,748 35,749 24,750 9,751 15,752 3,756 5,757 6,763 1,770 1,772 28,773 7,777 3,782 2,784 1,786 3,791 2,793 32,794 8,795 1,796 8,802 2,808 0.8,809 4,829 5,833 1,843 1,846 1,849 1,850 1,855 1,859 4,864 1,866 2,868 43,876 6,877 1,878 2,881 1,892 2,893 5.3,896 2,898 2,901 21.833,902 13.736,903 9.5,904 4.566,907 4.391,908 1.498,909 0.992,910 9.986,911 13.214,912 4.143,913 4.71,914 5.22,915 5.768,916 6.293,917 6.48,918 6.771,919 7.193,920 7.492,921 7.757,922 1,923 65,924 16.022,926 6.896,927 0.026,929 7.93,931 30.087,933 24.483,936 2.43,937 104.5,941 364.904,942 235.733,943 21.135,945 72.29,946 29.92,948 235.733,949 437.194,950 51.055,951 8.825,952 33.56,953 151.62,954 62.186,955 72.966,956 29.92,957 364.904,959 364.904,960 256.868,961 102.21,964 359.511,965 107.603,968 45.51,969 201.882,970 9.476,972 394.824,973 93.425,974 235.733,977 364.904,978 75.288,979 163.569,980 18.011,981 102.21,982 364.904,983 123.345,984 235.733,986 0.575,987 0.324,988 0.178,989 0.098,990 28,991 13,992 0.152,993 12,994 1,995 1.071,996 5.466,997 410.309,998 0.071,999 28,1000 217.329,1005 30.156,1006 14.239,1007 8.379,1009 123.345,1010 26.552,1015 3.617,1017 18.011,1018 723.982,1019 62,1024 24.966,1026 1.809,1028 -0.35,1031 75.676,1032 84.157,1034 0.248,1035 0.572,1036 0.763,1037 0.875,1038 0.9,1039 0.904,1040 5.371,1041 2.08,1042 6.205,1043 6.357,1044 4.86,1045 5.398,1046 2.839,1047 6.961,1048 4.797,1049 6.562,1050 1.88,1051 7.725,1052 5.827,1053 4.369,1054 5.103,1055 1.668,1056 7.703,1057 4.271,1058 7.851,1059 1.879,1060 9.338,1061 5.369,1062 6.405,1063 7.518,1064 3.7,1065 10.778,1066 6.291,1067 9.168,1068 1.833,1069 11.004,1070 4.987,1071 6.686,1072 7.975,1073 3.195,1074 12.328,1075 6.545,1076 10.513,1077 1.542,1078 12.704,1079 4.963,1080 8.191,1081 9.889,1082 4.793,1083 14.915,1084 8.036,1085 11.877,1086 1.412,1087 14.43,1088 4.464,1089 8.858,1090 10.728,1091 4.661,1092 16.851,1093 8.679,1094 13.257,1095 1.359,1096 16.174,1097 3.022,1098 10.129,1099 12.403,1100 5.981,1101 19.254,1102 9.936,1103 3.118,1104 1,1105 17.935,1106 2.924,1107 11.001,1108 13.46,1109 6.093,1110 21.383,1111 10.787,1112 2.797,1113 10.312,1114 19.708,1115 2.351,1116 12.166,1117 15.005,1118 7.221,1119 23.719,1120 11.937,1121 2.785,1122 8.882,1123 21.493,1124 4.086,1125 13.147,1126 16.19,1127 7.501,1128 25.943,1129 12.897,1130 2.686,1131 8.061,1132 23.288,1133 3.817,1134 14.268,1135 17.662,1136 8.495,1137 28.259,1138 14.002,1139 2.454,1140 7.924,1141 25.091,1142 3.757,1143 15.307,1144 18.925,1145 8.895,1146 30.531,1147 15.022,1148 2.367,1149 6.986,1150 26.903,1151 3.458,1152 16.412,1153 20.355,1154 9.795,1155 32.844,1156 16.111,1157 2.244,1158 6.65,1159 28.721,1160 3.285,1161 17.483,1162 21.665,1163 10.279,1164 35.141,1165 17.163,1166 37960,1167 64499,1168 31.611,1169 50.887,1170 69.301,1171 71.526,1172 70.216,1173 68.812,1174 68.713,1175 89.574,1176 12.398,1177 191.061,1178 66.428,1179 5.409,1180 5.727,1181 6.337,1182 5.197,1183 5.118,1184 7.086,1185 3.661,1186 17.143,1187 5.06,1188 21.498,1189 1.474,1190 1.522,1191 1.494,1192 1.464,1193 1.462,1194 1.906,1195 0.264,1196 4.065,1197 1.413,1198 4.053,1199 4.072,1200 4.009,1201 3.981,1202 8.211,1203 3.983,1204 3.942,1205 3.966,1206 3.9,1207 3.862,1208 8.191,1209 3.864,1210 3.923,1211 3.955,1212 3.855,1213 3.848,1214 7.434,1215 3.846,1216 3.86,1217 3.885,1218 3.798,1219 3.8,1220 7.428,1221 3.798,1222 3.644,1223 3.697,1224 3.555,1225 3.45,1226 4.913,1227 3.462,1228 3.587,1229 3.655,1230 3.479,1231 3.392,1232 4.762,1233 3.406,1234 3.449,1235 3.467,1236 3.366,1237 3.294,1238 4.713,1239 3.301,1240 3.298,1241 3.344,1242 3.172,1243 3.123,1244 4.505,1245 3.124,1246 0.095,1247 0.079,1248 0.139,1249 0.087,1250 0.066,1251 4.477,1252 0.087,1253 3.727,1254 0.042,1255 6.535,1256 0.219,1257 4.099,1258 0.065,1259 3.118,1260 4.086,1261 1.987,1262 10.312,1263 3.06,1264 1.994,1265 1.98,1266 2.086,1267 2.081,1268 1.264,1269 2.081,1270 1.918,1271 1.888,1272 2.04,1273 2.022,1274 1.172,1275 2.027,1276 1.902,1277 1.879,1278 1.997,1279 2.009,1280 1.154,1281 2.005,1282 1.858,1283 1.837,1284 1.965,1285 1.945,1286 1.09,1287 1.955,1288 1.585,1289 1.527,1290 1.836,1291 1.813,1292 1.012,1293 1.811,1294 1.549,1295 1.485,1296 1.776,1297 1.769,1298 0.981,1299 1.783,1300 1.394,1301 1.365,1302 1.562,1303 1.575,1304 0.736,1305 1.56,1306 1.265,1307 1.217,1308 1.501,1309 1.473,1310 0.658,1311 1.486,1312 4.554,1314 5.861,1316 7.352,1318 8.93,1320 10.557,1322 2.146,1324 26.635,1328 2.792,1329 2.655,1330 11.32,1333 2.359,1340 49.097,1341 115.636,1342 267.2,1343 356.293,1344 408.897,1345 420.407,1346 422.407,1347 106.709,1348 8.823,1349 71.78,1350 71.78,1351 30,1352 12.81,1353 4.807,1354 4,1355 72.111,1356 303,1357 271,1358 0.113,1359 297.594,1360 538.36,1361 717.89,1362 115492,1363 2.7,1364 30.183,1365 0.702,1366 0.554,1367 28.443,1368 23.816,1369 20.856,1370 0.444,1371 0.301,1372 13.949,1373 20.05,1374 13.644,1375 11.284,1376 20.068,1377 14.14,1378 18.751,1379 0.293,1380 0.161,1381 17.472,1382 10.286,1383 14.932,1384 0.187,1385 0.088,1386 14.381,1387 7.055,1388 12.742,1389 0.123,1390 0.047,1391 11.859,1392 4.872,1393 10.103,1394 0.078,1395 0.026,1396 9.902,1397 3.323,1398 0.188,1399 130.812,1400 0.178,1401 39.618,1402 0.282,1403 222,1404 773.142,1405 245.753,1406 690.324,1407 916.66,1408 644,1409 255,1410 649.469,1411 276.334,1412 645.657,1413 938.93,1414 607,1415 6.742}
{0 CHEMBL261384,1 1.49,2 14.759,3 4.521,4 20.44,5 115.77,6 6.567,7 0.355,8 4.18,9 4.317,10 3.63,11 3.662,12 5.17,13 3.616,14 4.767,15 4.965,16 3.911,17 4.066,18 5.827,19 3.971,20 5.054,21 5.333,22 3.926,23 4.199,24 5.788,25 4.065,26 5.051,27 5.322,28 3.881,29 4.17,30 5.86,31 4.037,32 5.021,33 5.283,34 3.805,35 4.167,36 5.806,37 4.02,38 5.048,39 5.321,40 3.695,41 4.153,42 5.794,43 3.974,44 5.041,45 5.341,46 3.553,47 4.044,48 5.757,49 3.841,50 4.896,51 5.209,52 3.42,53 3.847,54 5.622,55 3.653,56 0.193,57 0.879,58 14.679,59 5.785,60 10.013,61 8.31,62 0.477,63 1.386,64 27.124,65 9.667,66 65.759,67 14.384,68 0.303,69 1.68,70 36.182,71 11.879,72 30.946,73 18.725,74 0.452,75 1.651,76 36.583,77 11.42,78 45.605,79 17.869,80 0.373,81 1.602,82 35.221,83 11.613,84 40.698,85 17.865,86 0.344,87 1.581,88 36.062,89 12.346,90 41.103,91 18.8,92 0.411,93 1.467,94 36.12,95 11.71,96 45.754,97 18.269,98 0.395,99 1.241,100 31.514,101 9.602,102 42.484,103 15.208,104 18,105 39,106 0.243,107 0.516,108 0.707,109 0.854,110 0.891,111 0.891,112 3.407,113 1.053,114 -4.54,115 -4.46,116 -4.2,121 36.1,123 9,127 4,144 4,145 2,146 1,148 2,168 3,176 11,179 3,180 5,185 5,187 11,192 6,197 3,200 7,206 6,209 1,210 1,211 5,214 9,219 4,224 3,227 11,232 4,237 3,239 11,244 2,247 1,249 3,251 5,259 2,261 5,264 2,269 1,272 2,274 3,277 4,281 1597,282 20.054,283 20.054,284 20.054,285 20.054,286 20.054,287 18.377,288 21.075,289 12.823,290 20.297,291 15.403,292 15.403,293 15.403,294 15.403,295 15.403,296 12.82,297 23.854,298 6.216,299 15.797,300 4.44,301 2.764,302 1.587,303 0.689,304 0.459,305 0.459,306 4.099,311 1,312 1,313 913,314 4.183,318 213.492,322 245.271,325 2.3,326 22.874,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 63,338 428,339 4.64,340 4.674,341 6.829,342 4.207,343 3.226,344 4.564,345 4.929,346 11.348,347 3.162,348 3.914,349 3.361,350 5.982,351 3.524,352 2.532,353 3.437,354 0.4,355 8.37,356 2.512,357 3.828,358 2.669,359 5.381,360 3.212,361 2.236,362 3.333,363 0.4,364 6.711,365 2.179,366 3.522,367 2.359,368 4.659,369 3.135,370 2.182,371 2.893,372 0.341,373 5.184,374 2.078,375 2.946,376 2.194,377 4.116,378 2.89,379 1.918,380 2.142,382 3.874,383 1.866,384 2.929,385 2.09,386 3.988,387 2.695,388 1.717,389 1.937,391 3.553,392 1.674,393 2.76,394 1.773,395 3.892,396 2.515,397 1.529,398 1.768,400 3.329,401 1.506,402 2.605,403 1.64,404 3.712,405 2.393,406 1.422,407 1.631,409 3.278,410 1.377,411 2.493,412 1.486,413 3.594,414 2.345,415 1.347,416 1.492,418 2.923,419 1.343,420 2.456,421 1.424,422 3.569,423 2.242,424 1.247,425 1.45,427 2.902,428 1.24,429 2.167,430 1.35,431 3.36,432 2.056,433 1.105,434 1.15,436 2.377,437 1.046,438 1.923,439 1.205,440 3.049,441 1.773,442 0.808,443 0.875,445 1.772,446 0.776,447 1.648,448 1,449 2.861,450 1.474,451 0.518,452 0.567,454 1.1,455 0.493,456 1.362,457 0.918,458 2.65,459 1.133,460 0.186,461 0.206,463 0.408,464 0.175,465 1.092,466 0.623,467 2.404,468 0.863,469 -0.092,470 -0.104,472 -0.214,473 -0.087,474 13.6,475 0.469,476 0.418,477 0.014,478 31.5,479 1.086,480 13.5,481 0.466,482 18,483 0.621,484 28.209,485 0.973,486 33.8,487 0.554,488 20.612,489 0.711,490 5.597,491 0.193,492 8.657,493 0.299,494 0.049,496 0.213,501 0.485,502 1.31,503 0.899,504 1.202,505 0.482,506 1.127,507 0.553,508 1.267,509 1.008,510 1.196,511 0.287,512 1.172,513 0.59,514 1.045,515 0.83,516 0.944,517 0.339,518 0.918,519 0.871,520 0.947,521 1.005,522 0.936,523 0.73,524 0.973,525 0.874,526 1.019,527 1.083,528 1.041,529 0.748,530 1.078,531 0.76,532 1.079,533 1.084,534 1.142,535 0.705,536 1.159,537 0.683,538 1.015,539 0.974,540 1.045,541 0.673,542 1.055,543 0.738,544 0.889,545 0.901,546 0.918,547 0.739,548 0.93,549 3,550 0.078,551 2,552 1.313,553 1.2,554 0.438,555 0.3,556 0.161,557 0.123,558 0.097,559 12891,560 33846,561 2.073,562 52.5,563 10,564 12,567 2,568 2,569 4,570 2,572 1.71,573 2,574 3.726,575 0.228,582 90.913,583 1.49,584 3.167,585 4.344,586 5.242,587 5.472,588 5.472,589 3.138,590 4.211,591 4.823,592 4.025,593 1634.13,594 8.351,595 24951.6,597 1,600 361.775,601 1.074,602 4.817,603 0.097,604 0.004,605 0.051,606 0.033,607 0.032,608 0.013,609 0.01,610 0.007,611 0.006,612 0.005,613 0.258,614 0.17,615 0.88,616 2.611,617 153.835,618 0.263,619 0.044,620 0.062,621 0.032,622 0.066,623 0.011,624 0.272,625 -0.099,626 -0.045,627 -0.073,628 0.34,629 -0.1,630 0.008,631 -0.022,632 0.106,633 0.066,634 0.037,635 0.098,636 -0.066,637 0.092,638 -0.038,639 0.046,640 -0.052,641 0.014,642 -0.116,643 0.023,644 -0.128,645 -0.024,646 -0.081,647 -0.067,648 -0.071,649 -0.084,650 -0.147,651 -0.119,652 -0.065,653 -0.141,654 0.017,655 -0.096,656 -0.035,657 -0.074,658 -0.022,659 -0.067,660 0.028,661 0.008,662 0.053,663 0.006,664 -0.012,665 0.027,666 2.722,667 3.051,668 0.483,669 36.155,670 0.996,671 1.138,672 3.308,673 10.941,674 0.624,675 3.466,676 3.689,677 3.912,678 4.174,679 4.431,680 4.489,681 4.605,682 4.691,683 4.736,684 4.575,685 8.783,686 0.584,687 400.58,688 3.466,689 4.949,690 5.759,691 6.6,692 7.444,693 8.306,694 9.171,695 10.048,696 10.926,697 11.813,698 6.6,700 1,703 1,708 1,710 1,714 2,715 4,716 1,720 3,722 11,734 1,741 61,743 13,744 1,745 31,747 63,748 22,749 9,750 2,751 4,756 3,757 6,767 4,770 9,772 9,773 13,777 2,779 1,782 2,790 1,793 32,794 6,795 2,796 7,802 4,808 0.333,809 3,822 1,829 3,833 2,853 1,859 1,868 29,876 13,877 2,878 1,893 4.9,897 1,899 2,901 14.5,902 10.483,903 6.694,904 4.221,907 2.491,908 1.335,909 0.947,910 8.972,911 9.928,912 3.676,913 4.182,914 4.677,915 5.274,916 5.873,917 6.197,918 6.571,919 6.91,920 7.203,921 7.007,922 1,923 40,924 10.738,926 4.369,927 0.026,929 7.684,931 21.156,933 17.209,936 2.184,937 63.333,939 1,940 1,941 353.133,942 85.041,943 61.091,945 61.966,948 85.041,949 415.099,950 61.091,951 8.284,952 33.72,953 55.916,954 46.015,955 13.416,957 353.133,958 50.747,959 353.133,960 146.133,961 61.966,964 282.506,965 70.627,966 61.966,968 56.632,969 54.705,970 34.796,972 353.133,973 123.057,974 85.041,977 353.133,978 47.136,979 46.189,980 36.022,981 78.751,982 353.133,983 123.057,984 85.041,986 0.547,987 0.3,988 0.168,989 0.095,990 15,991 6,992 0.206,993 13,994 2,995 1.286,996 4.334,997 226.822,998 0.286,999 14,1000 136.881,1005 21.792,1006 11.94,1007 6.828,1008 2.333,1009 114.773,1010 8.443,1011 4.896,1015 3.991,1017 36.022,1018 561.232,1019 38.5,1021 -0.722,1024 20.101,1031 60.76,1032 69.434,1034 0.251,1035 0.534,1036 0.732,1037 0.884,1038 0.923,1039 0.923,1040 4.866,1041 1.422,1042 5.673,1043 3.329,1044 4.369,1045 4.868,1046 3.707,1047 6.409,1048 4.321,1049 6.004,1050 1.347,1051 7.168,1052 3.278,1053 3.611,1054 4.663,1055 4.354,1056 7.222,1057 3.561,1058 7.278,1059 1.247,1060 8.781,1061 2.923,1062 5.849,1063 7.043,1064 6.582,1065 10.404,1066 5.758,1067 8.6,1068 1.105,1069 10.476,1070 2.902,1071 6.043,1072 7.777,1073 7.826,1074 12.208,1075 5.947,1076 9.967,1077 0.808,1078 12.229,1079 2.377,1080 7.659,1081 9.617,1082 9.657,1083 14.885,1084 7.531,1085 11.368,1086 0.518,1087 14.023,1088 1.772,1089 8.36,1090 10.772,1091 11.105,1092 17.064,1093 8.222,1094 12.794,1095 0.186,1096 15.846,1097 1.1,1098 9.7,1099 12.41,1100 12.798,1101 19.578,1102 9.538,1103 3.226,1104 -0.092,1105 17.69,1106 0.408,1107 10.657,1108 13.758,1109 14.33,1110 21.902,1111 10.479,1112 2.532,1113 11.348,1114 19.55,1115 -0.214,1116 11.884,1117 15.319,1118 15.967,1119 24.361,1120 11.685,1121 2.236,1122 8.37,1123 21.421,1124 4.564,1125 12.961,1126 16.758,1127 17.535,1128 26.744,1129 12.743,1130 2.182,1131 6.711,1132 23.3,1133 3.437,1134 14.147,1135 18.29,1136 19.148,1137 29.184,1138 13.908,1139 1.918,1140 5.184,1141 25.187,1142 3.333,1143 15.276,1144 19.77,1145 20.731,1146 31.592,1147 15.017,1148 1.717,1149 3.874,1150 27.079,1151 2.893,1152 16.448,1153 21.292,1154 22.334,1155 34.024,1156 16.169,1157 1.529,1158 3.553,1159 28.975,1160 2.142,1161 17.6,1162 22.792,1163 23.924,1164 36.444,1165 17.3,1166 12611,1167 20617,1168 21.148,1169 38.046,1170 43.613,1171 46.866,1172 44.835,1173 43.908,1174 43.948,1175 54.89,1176 12.141,1177 114.257,1178 42.852,1179 5.609,1180 6.674,1181 6.775,1182 5.247,1183 5.226,1184 7.564,1185 8.199,1186 18.879,1187 5.162,1188 11.166,1189 1.407,1190 1.512,1191 1.446,1192 1.416,1193 1.418,1194 1.771,1195 0.392,1196 3.686,1197 1.382,1198 4.113,1199 4.144,1200 4.073,1201 4.04,1202 7.823,1203 4.044,1204 3.81,1205 3.868,1206 3.727,1207 3.653,1208 6.999,1209 3.64,1210 3.732,1211 3.781,1212 3.62,1213 3.635,1214 4.972,1215 3.623,1216 3.703,1217 3.755,1218 3.591,1219 3.475,1220 4.42,1221 3.47,1222 3.598,1223 3.652,1224 3.452,1225 3.279,1226 4.402,1227 3.299,1228 3.399,1229 3.475,1230 3.245,1231 3.148,1232 4.33,1233 3.155,1234 3.256,1235 3.322,1236 3.106,1237 2.98,1238 4.171,1239 3.063,1240 3.144,1241 3.223,1242 3.009,1243 2.952,1244 3.981,1245 2.965,1246 0.15,1247 0.151,1248 0.22,1249 0.136,1250 0.104,1251 4.64,1252 0.147,1253 4.674,1254 0.159,1255 6.829,1256 0.366,1257 4.207,1258 0.102,1259 3.226,1260 4.564,1261 4.929,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.158,1267 2.163,1268 1.435,1269 2.163,1270 1.773,1271 1.71,1272 2.021,1273 1.983,1274 1.366,1275 1.986,1276 1.754,1277 1.708,1278 1.95,1279 1.912,1280 1.219,1281 1.903,1282 1.643,1283 1.572,1284 1.901,1285 1.872,1286 1.136,1287 1.881,1288 1.46,1289 1.396,1290 1.737,1291 1.805,1292 1.034,1293 1.755,1294 1.279,1295 1.224,1296 1.507,1297 1.624,1298 0.759,1299 1.6,1300 1.176,1301 1.133,1302 1.445,1303 1.448,1304 0.676,1305 1.463,1306 1.132,1307 1.058,1308 1.405,1309 1.351,1310 0.612,1311 1.381,1312 4.143,1314 5.389,1316 6.838,1318 8.408,1320 10.058,1328 12.794,1329 7.19,1330 4.307,1340 35.605,1341 90.913,1342 193.157,1343 264.962,1344 319.775,1345 333.775,1346 333.775,1347 51.156,1348 7.437,1349 92,1350 92,1351 18,1352 12.347,1353 3.807,1354 3.087,1355 53.246,1356 151,1357 171,1358 0.165,1359 221.223,1360 384.81,1361 531.545,1362 19803,1364 20.313,1365 0.7,1366 0.59,1367 20.313,1368 17.121,1369 14.254,1370 0.46,1371 0.351,1372 10.746,1373 13.658,1374 10.592,1375 8.803,1376 14.254,1377 10.879,1378 11.823,1379 0.303,1380 0.196,1381 11.823,1382 7.638,1383 9.21,1384 0.188,1385 0.111,1386 9.21,1387 5.446,1388 7.667,1389 0.12,1390 0.062,1391 7.667,1392 3.971,1393 6.407,1394 0.077,1395 0.035,1396 6.407,1397 2.926,1398 0.276,1399 89.731,1400 0.217,1401 28.797,1402 0.41,1403 140,1404 405.163,1405 154.99,1406 384.297,1407 516.15,1408 358,1409 158,1410 381.387,1411 171.363,1412 374.892,1413 540.69,1414 353,1415 8.201}
{0 CHEMBL263198,1 1.252,2 5.667,3 2.973,4 8.841,5 62.718,6 6.131,7 0.353,8 3.576,9 3.721,10 2.998,11 3.155,12 4.434,13 3.086,14 4.189,15 4.394,16 3.365,17 3.611,18 4.942,19 3.5,20 4.508,21 4.772,22 3.448,23 3.744,24 5.244,25 3.606,26 4.458,27 4.725,28 3.259,29 3.625,30 5.279,31 3.471,32 4.34,33 4.627,34 2.882,35 3.453,36 5.074,37 3.254,38 4.198,39 4.519,40 2.36,41 3.224,42 4.699,43 2.942,44 3.989,45 4.365,46 1.657,47 2.82,48 4.297,49 2.446,50 3.395,51 3.821,52 0.611,53 2.018,54 3.611,55 1.563,56 0.045,57 0.488,58 8.217,59 3.336,60 5.027,61 4.891,62 0.072,63 0.828,64 14.972,65 6.146,66 7.164,67 9.013,68 0.133,69 1.054,70 20.555,71 7.481,72 13.313,73 11.445,74 0.195,75 1,76 19.847,77 6.439,78 21.065,79 10.191,80 0.155,81 0.841,82 17.378,83 5.793,84 17.586,85 9.101,86 0.089,87 0.655,88 14.434,89 5.761,90 9.571,91 8.524,92 0.062,93 0.464,94 11.307,95 4.642,96 5.634,97 6.827,98 0.038,99 0.222,100 6.034,101 2.353,102 3.73,103 3.527,104 2,105 24,106 0.238,107 0.465,108 0.58,109 0.649,110 0.696,111 0.696,112 2.799,113 1.085,114 -3.61,115 -3.59,116 -3.42,121 39.4,123 8,145 2,146 1,148 2,165 1,166 1,167 1,176 8,180 4,185 2,187 9,189 2,192 4,197 2,200 6,203 2,206 2,208 1,209 1,211 4,214 6,216 4,224 2,227 8,229 2,239 6,251 2,281 142,282 10.414,283 10.414,284 10.414,285 10.414,286 10.414,287 9.609,288 10.916,289 6.183,290 10.479,291 8.4,292 8.4,293 8.4,294 8.4,295 8.4,296 7.069,297 6.126,298 2.924,299 8.526,300 3.793,301 2.606,302 2,303 1.636,304 1.394,305 1.394,306 3.476,311 1,312 1,313 189,314 1.581,318 70.902,322 78.581,325 0.889,326 8.239,329 1,330 0.83,331 1,332 1,333 0.5,334 1,335 1,336 0.9,337 31,338 85,339 4.556,340 3.403,341 6.769,342 4.185,343 3.203,344 4.275,346 11.036,347 3.144,348 3.796,349 2.812,350 5.982,351 3.524,352 2.532,353 3.141,355 8.37,356 2.512,357 3.396,358 2.329,359 5.279,360 3.048,361 2.087,362 2.673,364 6.329,365 2.003,366 2.567,367 1.659,368 4.116,369 2.509,370 1.518,371 1.568,373 3.329,374 1.502,375 2.426,376 1.571,377 3.757,378 2.345,379 1.347,380 1.423,382 3.225,383 1.343,384 2.313,385 1.352,386 3.594,387 2.242,388 1.247,389 1.303,391 2.902,392 1.24,393 1.817,394 1.041,395 3.39,396 1.744,397 0.764,398 0.793,400 1.804,401 0.748,402 1.227,403 0.174,404 2.843,405 0.95,411 0.758,412 -0.376,413 2.404,414 0.538,415 -0.445,416 -0.5,418 -1.091,419 -0.436,420 0.235,421 -0.581,422 2,423 0.139,424 -0.84,425 -0.885,427 -1.977,428 -0.82,429 0.228,430 -0.675,431 2,432 0.117,433 -0.879,434 -0.955,436 -2.123,437 -0.876,439 -0.994,440 1.541,441 -0.219,442 -1.205,443 -1.358,445 -3.218,446 -1.189,447 -0.359,448 -1.364,449 1.455,450 -0.556,451 -1.528,452 -1.815,454 -4.317,455 -1.488,456 -0.5,457 -1.603,458 1.184,459 -0.825,460 -1.802,461 -2.109,463 -5.194,464 -1.735,465 -0.571,466 -1.809,467 1.048,468 -1,469 -2,470 -2.252,472 -5.661,473 -1.947,474 7.3,475 0.487,476 0.312,477 0.021,478 15.75,479 1.05,480 6.5,481 0.433,482 9.25,483 0.617,484 13.537,485 0.902,486 16.7,487 0.506,488 7.121,489 0.475,490 2.304,491 0.154,492 5.056,493 0.337,494 0.055,496 0.342,501 1.076,502 1.152,503 1,504 1.054,505 1.128,506 1.027,507 0.668,508 1.24,509 0.945,510 1.145,511 0.562,512 1.079,513 0.996,514 1.138,515 0.914,516 1.001,517 0.889,518 0.96,519 1.646,520 1.121,521 1.212,522 1.073,523 1.665,524 1.105,525 1.792,526 0.982,527 1.32,528 1.057,529 1.976,530 1.138,531 0.743,532 0.951,533 1.1,534 1.109,535 0.844,536 1.127,537 0.233,538 0.751,539 0.766,540 0.877,541 0.131,542 0.863,543 0.141,544 0.454,545 0.463,546 0.53,547 0.079,548 0.522,549 2,551 1.778,552 1.188,553 1.08,554 0.236,555 0.078,559 1569,560 2484,561 2.186,562 54.5,563 12,567 2,568 4,572 1.537,573 2.093,574 2.568,575 0.366,579 1,582 41.301,583 1.252,584 2.438,585 3.044,586 3.408,587 3.65,588 3.65,589 1.933,590 3.107,591 3.886,592 2.554,593 268.133,594 6.537,595 2131.14,597 1,600 166.465,601 1.231,602 3.859,603 0.118,605 0.074,606 0.047,607 0.057,608 0.02,609 0.013,613 0.329,614 1,615 1,616 0.521,617 56.365,618 -0.069,619 0.101,620 0.054,621 0.104,622 -0.031,623 0.091,624 0.09,625 -0.137,626 0.053,627 -0.044,628 0.106,629 -0.006,630 0.063,631 -0.117,632 0.079,633 -0.009,634 0.047,635 0.028,636 -0.106,637 -0.055,638 -0.187,639 -0.142,640 -0.114,641 -0.166,642 -0.383,643 0.038,644 -0.32,645 -0.138,646 -0.379,647 -0.21,648 -0.102,649 -0.085,650 -0.184,651 -0.156,652 -0.1,653 -0.173,654 0.14,655 -0.027,656 0.101,657 0.032,658 0.152,659 0.058,660 0.268,661 0.166,662 0.383,663 0.307,664 0.243,665 0.345,666 0.575,667 2.285,668 0.933,669 6.373,670 0.978,671 1.131,672 2.385,673 5.687,674 0.639,675 2.89,676 3.219,677 3.555,678 3.85,679 4.111,680 4.111,681 4.174,682 4.205,683 4.205,684 3.807,685 3.459,686 0.584,687 202.33,688 2.89,689 4.419,690 5.293,691 6.184,692 7.076,693 7.974,694 8.871,695 9.771,696 10.669,697 11.57,698 6.1,702 1,708 1,716 1,720 5,722 6,733 1,741 33,743 6,745 17,747 35,748 13,749 5,756 3,757 6,767 8,770 8,772 5,773 8,790 1,793 18,794 2,795 2,796 2,802 2,808 0.333,822 1,829 3,833 2,859 1,868 15,869 1,876 8,901 7.167,902 5.783,903 3.278,904 2.433,907 1.287,908 1.202,909 1.026,910 2.246,911 7.659,912 3.045,913 3.624,914 4.216,915 4.763,916 5.274,917 5.467,918 5.597,919 5.691,920 5.756,921 5.202,922 0.75,923 25,924 5.607,925 -0.001,926 2.424,927 0.026,929 7.322,931 11.482,933 10.212,936 1.822,937 27.333,938 0.016,941 188.338,942 34.918,943 49.683,948 34.918,949 188.338,950 49.683,952 20.276,953 32.897,954 16.786,955 14.641,957 188.338,959 188.338,960 84.6,964 188.338,968 25.79,969 42.025,970 16.786,972 188.338,973 49.683,974 34.918,977 188.338,978 34.918,981 49.683,982 188.338,983 49.683,984 34.918,986 0.58,987 0.358,988 0.208,989 0.115,990 14,991 5,994 2,995 1.286,996 2.744,997 106.595,998 0.286,999 14,1000 46.603,1005 9.351,1006 3.604,1007 1.478,1009 49.683,1011 4.835,1015 6.456,1017 32.897,1018 272.938,1019 20,1031 32.272,1032 37.318,1034 0.248,1035 0.483,1036 0.604,1037 0.676,1038 0.724,1039 0.724,1040 4.297,1042 5.273,1043 1.804,1044 3.892,1045 4.304,1047 6.12,1048 3.859,1049 5.478,1050 -0.445,1051 6.849,1053 3.434,1054 4.227,1056 7.091,1057 3.374,1058 6.796,1059 -0.84,1060 8.534,1061 -1.091,1062 5.501,1063 6.503,1065 10.251,1066 5.434,1067 8.157,1068 -0.879,1069 10.285,1070 -1.977,1071 5.916,1072 7.285,1074 12.062,1075 5.821,1076 9.558,1077 -1.205,1078 12.078,1079 -2.123,1080 7.434,1081 9.06,1083 14.733,1084 7.331,1085 10.984,1086 -1.528,1087 13.897,1088 -3.218,1089 8.26,1090 10.206,1092 16.874,1093 8.13,1094 12.431,1095 -1.802,1096 15.736,1097 -4.317,1098 9.554,1099 11.793,1101 19.377,1102 9.414,1103 3.203,1104 -2,1105 17.588,1106 -5.194,1107 10.567,1108 13.102,1110 21.66,1111 10.403,1112 2.532,1113 11.036,1114 19.45,1115 -5.661,1116 11.774,1117 14.614,1119 24.1,1120 11.595,1121 2.087,1122 8.37,1123 21.32,1124 4.275,1125 12.87,1126 15.998,1128 26.445,1129 12.669,1130 1.518,1131 6.329,1132 23.196,1133 3.141,1134 14.045,1135 17.477,1137 28.861,1138 13.827,1139 1.347,1140 3.329,1141 25.077,1142 2.673,1143 15.178,1144 18.897,1146 31.236,1147 14.938,1148 1.247,1149 3.225,1150 26.963,1151 1.568,1152 16.343,1153 20.362,1155 33.642,1156 16.085,1157 0.764,1158 2.902,1159 28.852,1160 1.423,1161 17.491,1162 21.798,1164 36.03,1165 17.214,1166 1532,1167 1986,1168 11.731,1169 21.103,1170 25.373,1171 25.765,1172 26.284,1173 25.44,1174 25.399,1175 30.351,1177 73.989,1178 24.983,1179 5.506,1180 5.403,1181 6.454,1182 5.226,1183 5.203,1184 7.275,1186 18.567,1187 5.144,1188 3.991,1189 1.493,1190 1.516,1191 1.546,1192 1.496,1193 1.494,1194 1.785,1196 4.352,1197 1.47,1198 4.05,1199 4.088,1200 3.992,1201 3.963,1202 5.101,1203 3.965,1204 3.716,1205 3.775,1206 3.569,1207 3.613,1208 4.654,1209 3.595,1210 3.352,1211 3.428,1212 3.195,1213 3.205,1214 4.16,1215 3.194,1216 3.17,1217 3.254,1218 3.021,1219 2.99,1220 3.9,1221 2.983,1222 3.013,1223 3.11,1224 2.767,1225 2.842,1226 3.545,1227 2.811,1228 2.797,1229 2.941,1230 2.558,1231 2.605,1232 3.384,1233 2.585,1234 2.727,1235 2.805,1236 2.545,1237 2.425,1238 3.204,1239 2.441,1240 2.165,1241 2.318,1242 1.866,1243 1.828,1244 2.958,1245 1.807,1246 0.268,1247 0.2,1248 0.398,1249 0.246,1250 0.188,1251 4.556,1252 0.251,1253 3.403,1255 6.769,1256 0.649,1257 4.185,1258 0.185,1259 3.203,1260 4.275,1262 11.036,1263 3.144,1264 2.013,1265 1.98,1266 2.14,1267 2.124,1268 1.461,1269 2.131,1270 1.743,1271 1.688,1272 1.979,1273 1.886,1274 1.338,1275 1.921,1276 1.349,1277 1.285,1278 1.573,1279 1.552,1280 0.813,1281 1.567,1282 1.166,1283 1.087,1284 1.468,1285 1.389,1286 0.728,1287 1.418,1288 1.056,1289 0.965,1290 1.425,1291 1.284,1292 0.725,1293 1.338,1294 0.762,1295 0.692,1296 1.126,1297 1.139,1298 0.371,1299 1.153,1300 0.726,1301 0.583,1302 1.103,1303 0.962,1305 1.015,1306 0.181,1307 0.028,1308 0.695,1309 0.563,1311 0.62,1312 3.555,1314 4.875,1316 6.435,1318 8.104,1320 9.827,1326 6.285,1328 9.758,1340 19.257,1341 41.301,1342 80.465,1343 100.465,1344 112.465,1345 120.465,1346 120.465,1347 16.8,1348 6.372,1349 38.91,1350 38.91,1351 18,1352 12.092,1353 2.807,1354 2,1355 19.787,1356 34,1357 20,1358 0.336,1359 118.097,1360 199.56,1361 279.917,1362 4073,1364 10.251,1365 0.683,1366 0.612,1367 10.251,1368 9.181,1369 7.36,1370 0.433,1371 0.362,1372 6.125,1373 7.266,1374 6.001,1375 4.939,1376 7.36,1377 6.15,1378 6.512,1379 0.271,1380 0.2,1381 6.512,1382 4.79,1383 5.892,1384 0.173,1385 0.112,1386 5.892,1387 3.798,1388 5.149,1389 0.112,1390 0.064,1391 5.149,1392 2.951,1393 4.302,1394 0.072,1395 0.038,1396 4.302,1397 2.297,1398 0.482,1399 44.858,1400 0.292,1401 14.609,1402 1.061,1403 82,1404 150.957,1405 85.081,1406 153.681,1407 223.31,1408 146,1409 99,1410 175.662,1411 102.497,1412 179.553,1413 267.5,1414 172,1415 6.444}
{0 CHEMBL263322,1 1.244,2 9.55,3 3.931,4 15.456,5 83.777,6 6.032,7 0.273,8 3.858,9 3.994,10 3.256,11 3.429,12 4.712,13 3.352,14 4.488,15 4.697,16 3.592,17 3.88,18 5.237,19 3.765,20 4.82,21 5.074,22 3.604,23 4.041,24 5.565,25 3.871,26 4.899,27 5.196,28 3.357,29 3.955,30 5.613,31 3.732,32 4.732,33 5.054,34 3.123,35 3.728,36 5.383,37 3.496,38 4.472,39 4.769,40 3.022,41 3.571,42 5.116,43 3.365,44 4.394,45 4.68,46 3.066,47 3.536,48 5.065,49 3.349,50 4.371,51 4.65,52 3.029,53 3.471,54 5.15,55 3.293,56 0.047,57 0.617,58 11.068,59 4.791,60 5.736,61 6.794,62 0.129,63 1.075,64 20.538,65 8.228,66 10.424,67 11.944,68 0.175,69 1.359,70 27.947,71 11.393,72 20.601,73 16.307,74 0.221,75 1.348,76 29.677,77 11.807,78 33.199,79 16.905,80 0.194,81 1.111,82 24.813,83 9.636,84 26.636,85 13.971,86 0.143,87 0.897,88 19.274,89 7.64,90 17.598,91 11.048,92 0.118,93 0.847,94 17.877,95 7.169,96 12.798,97 10.355,98 0.148,99 0.809,100 17.709,101 6.727,102 19.284,103 9.683,104 5,105 30,106 0.219,107 0.491,108 0.725,109 0.832,110 0.84,111 0.84,112 3.057,113 1.097,114 -4.77,115 -4.69,116 -4.4,121 40,123 6,124 2,126 1,127 2,144 4,145 2,159 1,176 14,180 4,187 17,192 5,200 14,206 4,214 11,219 3,227 9,232 2,239 8,244 3,251 8,256 1,264 6,268 1,269 2,277 4,281 466,282 13.637,283 13.637,284 13.637,285 13.637,286 13.637,287 12.819,288 13.44,289 8.142,290 13.729,291 10.855,292 10.855,293 10.855,294 10.855,295 10.855,296 9.577,297 13.665,298 3.88,299 10.969,300 4.248,301 2.708,302 1.377,303 0.772,304 0.728,305 0.728,306 3.74,310 1,311 1,312 1,313 416,314 2.449,317 41.774,318 120.283,321 81.585,325 1.395,326 12.233,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 41.5,338 191,339 4.447,340 3.783,341 6.681,342 4.178,343 3.163,344 4.004,345 1.277,346 10.729,347 3.206,348 3.622,349 2.801,350 5.518,351 3.593,352 2.619,353 2.774,354 0.8,355 7.164,356 2.559,357 3.517,358 2.676,359 5.409,360 3.234,361 2.234,362 2.616,364 6.877,365 2.237,366 3.119,367 2.302,368 4.89,369 3.04,370 2.092,371 2.15,373 5.693,374 1.969,375 3,376 2.094,377 4.814,378 2.747,379 1.729,380 2.098,382 5.069,383 1.755,384 2.817,385 1.518,386 3.682,387 2.422,388 1.422,389 1.922,391 3.061,392 1.421,393 2.407,394 1.313,395 3.544,396 2.123,397 1.12,398 1.31,400 2.536,401 1.122,402 2.021,403 1.084,404 3.414,405 1.984,406 1,407 1,409 2.275,410 0.983,411 2,412 1.077,413 3.294,414 1.773,415 0.739,416 0.935,418 1.762,419 0.761,420 1.245,421 0.347,422 2.761,423 1.143,424 0.151,425 0.157,427 0.354,428 0.15,429 0.976,430 0.173,431 2.283,432 0.738,433 -0.273,434 -0.302,436 -0.618,437 -0.273,438 0.65,439 -0.31,440 2,441 0.398,442 -0.623,443 -0.746,445 -1.413,446 -0.632,447 0.504,448 -0.747,449 2,450 0.171,451 -0.831,452 -1,454 -2.028,455 -0.832,456 0.178,457 -0.784,458 2,459 -0.049,460 -1,461 -1.098,463 -2.85,464 -0.946,466 -0.911,467 1.704,468 -0.106,469 -1.1,470 -1.26,472 -3,473 -1.081,474 9.733,475 0.487,476 0.435,477 0.022,478 19.5,479 0.975,480 7.5,481 0.375,482 12,483 0.6,484 19.651,485 0.983,486 22.667,487 0.504,488 10.386,489 0.519,490 3.18,491 0.159,492 6.558,493 0.328,494 0.086,496 0.298,501 0.64,502 1.323,503 0.995,504 1.192,505 0.503,506 1.129,507 0.921,508 1.063,509 1.073,510 1.051,511 0.545,512 1.057,513 0.889,514 1.107,515 1.071,516 1.142,517 0.829,518 1.121,519 1.088,520 0.991,521 1.02,522 1.026,523 1.207,524 1.025,525 1.021,526 0.824,527 0.88,528 0.846,529 1.084,530 0.854,531 0.991,532 0.906,533 0.968,534 0.928,535 1.032,536 0.945,537 0.811,538 0.959,539 0.925,540 0.974,541 0.818,542 0.959,543 1.418,544 0.99,545 1.01,546 0.965,547 1.617,548 0.963,549 3.5,550 0.068,551 2.222,552 1.514,553 0.684,554 0.368,555 0.212,556 0.213,557 0.158,558 0.072,559 4265,560 7563,561 2.107,562 55.6,563 9,564 11,568 1,569 4,572 1.61,573 2,574 3.233,575 -0.886,577 1,582 55.978,583 1.244,584 2.784,585 4.115,586 4.72,587 4.764,588 4.764,589 2.666,590 4.022,591 4.296,592 3.369,593 640.072,594 7.3,595 6737.65,597 1,599 1,600 247.133,601 1.295,602 4.266,603 0.159,604 0.008,605 0.074,606 0.054,607 0.034,608 0.023,609 0.014,610 0.013,611 0.011,612 0.006,613 0.396,614 0.67,615 1,616 0.548,617 90.152,618 0.038,619 -0.082,620 0.064,621 -0.002,622 0.028,623 0.025,624 -0.077,625 0.09,626 -0.042,627 0.018,628 0.007,629 -0.001,630 -0.014,631 -0.088,632 -0.086,633 -0.122,634 0.034,635 -0.109,636 -0.04,637 -0.073,638 -0.059,639 -0.068,640 -0.011,641 -0.066,642 -0.014,643 0.065,644 0.067,645 0.077,646 -0.004,647 0.078,648 -0.055,649 0.035,650 -0.008,651 0.031,652 -0.071,653 0.017,654 0.02,655 0.005,656 0.036,657 0.003,658 -0.006,659 0.02,660 -0.064,661 -0.039,662 -0.011,663 -0.007,664 -0.108,665 -0.007,666 1.274,667 5.315,668 0.75,669 14.47,670 0.978,671 1.126,672 3.544,673 12.562,674 0.635,675 3.135,676 3.434,677 3.689,678 3.912,679 4.078,680 3.989,681 4.007,682 4.06,683 4.007,684 4.06,685 5.677,686 0.579,687 271.44,688 3.135,689 4.654,690 5.493,691 6.354,692 7.212,693 8.079,694 8.944,695 9.814,696 10.684,697 11.558,698 2.2,701 1,715 4,720 2,722 6,727 1,741 45,743 7,744 1,745 22,747 47,748 18,749 6,750 2,751 4,752 1,756 3,757 4,767 3,768 2,770 6,772 7,773 11,774 2,777 1,782 1,786 1,790 1,793 25,794 2,796 2,802 1,808 0.667,809 1,828 1,829 2,832 1,855 1,859 2,864 1,868 20,876 8,880 2,881 1,893 2.2,896 1,901 10,902 8.117,903 4.417,904 3.108,907 1.265,908 1.191,909 0.958,910 4.211,911 7.905,912 3.296,913 3.75,914 4.216,915 4.653,916 5.055,917 5.047,918 5.254,919 5.377,920 5.209,921 5.142,922 1,923 28,924 7.497,926 3.188,927 0.026,929 7.433,931 15.208,933 13.248,936 1.933,937 38.667,938 0.003,941 294.278,942 77.225,943 3.124,945 25.145,948 77.225,949 319.422,950 3.124,951 8.396,952 19.419,953 37.905,954 30.278,955 9.495,957 294.278,959 294.278,960 80.349,961 25.145,964 247.193,965 72.229,968 22.543,969 57.806,972 294.278,973 28.269,974 77.225,977 294.278,978 30.923,979 49.426,981 25.145,982 294.278,983 28.269,984 77.225,986 0.577,987 0.336,988 0.177,989 0.096,990 15,991 6,992 0.085,993 4,994 1,995 1.133,996 3.382,997 144.612,998 0.133,999 15,1000 82.439,1005 13.823,1006 6.094,1007 3.144,1009 28.269,1010 8.142,1015 2.249,1018 399.771,1019 26,1024 12.315,1028 0.393,1031 44.032,1032 50.69,1034 0.227,1035 0.507,1036 0.749,1037 0.859,1038 0.867,1039 0.867,1040 4.538,1041 1,1042 5.46,1043 2.536,1044 4.111,1045 4.431,1046 1.653,1047 6.236,1048 4.099,1049 5.671,1050 0.739,1051 6.997,1052 2.275,1053 3.611,1054 4.06,1055 0.325,1056 7.076,1057 3.599,1058 6.936,1059 0.151,1060 8.636,1061 1.762,1062 5.666,1063 6.397,1064 1.915,1065 10.178,1066 5.653,1067 8.234,1068 -0.273,1069 10.338,1070 0.354,1071 6.019,1072 6.91,1073 0.268,1074 11.913,1075 6.027,1076 9.573,1077 -0.623,1078 12.081,1079 -0.618,1080 7.526,1081 8.741,1082 2.299,1083 14.531,1084 7.532,1085 10.941,1086 -0.831,1087 13.855,1088 -1.413,1089 8.292,1090 9.688,1091 0.188,1092 16.645,1093 8.33,1094 12.333,1095 -1,1096 15.652,1097 -2.028,1098 9.573,1099 11.303,1100 2.732,1101 19.104,1102 9.613,1103 3.163,1104 -1.1,1105 17.467,1106 -2.85,1107 10.541,1108 12.465,1109 0.125,1110 21.375,1111 10.613,1112 2.619,1113 10.729,1114 19.298,1115 -3,1116 11.732,1117 13.975,1118 3.189,1119 23.779,1120 11.812,1121 2.234,1122 7.164,1123 21.141,1124 4.004,1125 12.795,1126 15.245,1127 0.082,1128 26.112,1129 12.903,1130 2.092,1131 6.877,1132 22.994,1133 2.774,1134 13.952,1135 16.7,1136 3.66,1137 28.496,1138 14.073,1139 1.729,1140 5.693,1141 24.856,1142 2.616,1143 15.06,1144 18.025,1145 0.054,1146 30.853,1147 15.203,1148 1.422,1149 5.069,1150 26.724,1151 2.15,1152 16.207,1153 19.45,1154 4.139,1155 33.23,1156 16.365,1157 1.12,1158 3.061,1159 28.598,1160 2.098,1161 17.336,1162 20.803,1163 0.035,1164 35.597,1165 17.513,1166 4094,1167 5536,1168 14.909,1169 28.597,1170 32.757,1171 33.482,1172 33.47,1173 32.565,1174 32.54,1175 37.933,1176 4.155,1177 91.041,1178 32.325,1179 5.447,1180 5.783,1181 6.362,1182 5.213,1183 5.163,1184 7.004,1185 2.555,1186 17.714,1187 5.206,1188 7.808,1189 1.489,1190 1.522,1191 1.521,1192 1.48,1193 1.479,1194 1.724,1195 0.189,1196 4.138,1197 1.469,1198 4.04,1199 4.066,1200 3.979,1201 3.976,1202 7.426,1203 3.973,1204 3.884,1205 3.944,1206 3.755,1207 3.757,1208 4.715,1209 3.747,1210 3.605,1211 3.668,1212 3.469,1213 3.482,1214 4.376,1215 3.471,1216 3.379,1217 3.447,1218 3.234,1219 3.212,1220 4.078,1221 3.207,1222 3.144,1223 3.232,1224 2.945,1225 2.948,1226 3.867,1227 2.932,1228 3.111,1229 3.206,1230 2.866,1231 2.941,1232 3.657,1233 2.91,1234 2.987,1235 3.028,1236 2.856,1237 2.845,1238 3.601,1239 2.841,1240 2.797,1241 2.904,1242 2.527,1243 2.605,1244 3.474,1245 2.572,1246 0.202,1247 0.172,1248 0.304,1249 0.19,1250 0.144,1251 4.447,1252 0.182,1253 3.783,1254 0.058,1255 6.681,1256 0.488,1257 4.178,1258 0.146,1259 3.163,1260 4.004,1261 1.277,1262 10.729,1263 3.206,1264 1.892,1265 1.869,1266 2.1,1267 2.049,1268 1.497,1269 2.069,1270 1.886,1271 1.831,1272 2.003,1273 1.962,1274 1.295,1275 1.976,1276 1.697,1277 1.646,1278 1.915,1279 1.862,1280 1.126,1281 1.883,1282 1.39,1283 1.32,1284 1.665,1285 1.607,1286 0.934,1287 1.63,1288 1.153,1289 1.064,1290 1.514,1291 1.394,1292 0.825,1293 1.439,1294 1.151,1295 1.058,1296 1.513,1297 1.376,1298 0.692,1299 1.429,1300 1.034,1301 1,1302 1.271,1303 1.215,1304 0.48,1305 1.222,1306 0.854,1307 0.77,1308 1.182,1309 1.092,1310 0.318,1311 1.139,1312 3.807,1314 5.106,1315 2.398,1316 6.6,1317 4.844,1318 8.179,1319 7.018,1320 9.802,1322 2.213,1328 9.774,1332 1.156,1333 2.424,1340 26.058,1341 55.978,1342 125.285,1343 185.159,1344 212.379,1345 214.379,1346 214.379,1347 32.037,1348 6.64,1349 20.31,1350 20.31,1351 17,1352 12.099,1353 3,1354 2.322,1355 30.254,1356 69,1357 66,1358 0.217,1359 160.333,1360 281.21,1361 382.973,1362 6433,1364 13.949,1365 0.697,1366 0.624,1367 13.949,1368 12.476,1369 9.737,1370 0.443,1371 0.366,1372 7.995,1373 9.56,1374 7.77,1375 6.443,1376 9.737,1377 8.045,1378 8.62,1379 0.287,1380 0.22,1381 8.62,1382 6.6,1383 7.315,1384 0.188,1385 0.131,1386 7.315,1387 5.123,1388 5.842,1389 0.119,1390 0.077,1391 5.842,1392 3.754,1393 4.695,1394 0.081,1395 0.048,1396 4.695,1397 2.807,1398 0.345,1399 59.697,1400 0.259,1401 20.285,1402 0.576,1403 104,1404 211.381,1405 107.852,1406 208.57,1407 284.9,1408 196,1409 121,1410 203.397,1411 125.49,1412 210.436,1413 306.12,1414 198,1415 8.824}
{0 CHEMBL263785,1 1.265,2 28.964,3 7.288,4 53.118,5 234.422,6 5.581,7 0.211,8 4.951,9 5.105,10 4.24,11 4.4,12 5.805,13 4.318,14 5.575,15 5.818,16 4.515,17 4.793,18 6.311,19 4.67,20 5.885,21 6.152,22 4.624,23 5.011,24 6.616,25 4.849,26 6.044,27 6.332,28 4.608,29 5.092,30 6.755,31 4.902,32 6.061,33 6.355,34 4.651,35 5.14,36 6.728,37 4.944,38 6.105,39 6.393,40 4.622,41 5.168,42 6.793,43 4.964,44 6.122,45 6.427,46 4.507,47 5.143,48 6.762,49 4.907,50 6.082,51 6.408,52 4.467,53 5.047,54 6.7,55 4.812,56 0.179,57 1.869,58 35.761,59 13.738,60 20.308,61 20.308,62 0.643,63 2.93,64 62.45,65 21.391,66 41.314,67 32.64,68 0.68,69 3.654,70 81.571,71 29.151,72 68.461,73 43.585,74 1.023,75 4.014,76 93.337,77 32.847,78 93.2,79 49.098,80 0.733,81 4.194,82 93.61,83 34.617,84 76.162,85 51.691,86 0.88,87 4.317,88 98.359,89 35.821,90 89.864,91 53.344,92 0.971,93 4.262,94 97.904,95 36.424,96 85.714,97 54.041,98 0.725,99 3.958,100 92.096,101 33.259,102 77.114,103 50.291,104 125,105 72,106 0.175,107 0.376,108 0.633,109 0.737,110 0.76,111 0.76,112 4.044,113 1.205,114 0.51,115 0.33,116 0.09,121 34.3,122 4,123 16,126 4,127 10,144 8,145 2,146 2,160 2,176 21,179 2,180 12,187 16,189 6,192 12,200 9,203 4,206 10,208 2,214 14,216 6,219 8,227 21,229 4,232 8,239 26,241 2,244 6,246 4,251 24,253 2,256 4,264 20,268 1,269 12,277 20,279 2,281 10164,282 37.589,283 37.589,284 37.589,285 37.589,286 37.589,287 35.826,288 43.281,289 23.34,290 38.367,291 27.858,292 27.858,293 27.858,294 27.858,295 27.858,296 25.113,297 48.354,298 10.811,299 29.022,300 5.865,301 4.415,302 2.558,303 1.808,304 1.643,305 1.643,306 4.717,312 1,313 3290,314 7.348,318 539.293,325 4.541,326 38.029,329 0.75,330 0.67,331 0.67,332 0.8,333 1,334 0.67,335 0.5,336 0.72,337 118,338 1622,339 4.36,340 3.7,341 6.992,342 4.209,343 3.293,344 3.827,345 1.94,346 11.856,347 3.025,348 4.36,349 3.7,350 6.992,351 4.209,352 3.293,353 3.827,354 1.94,355 11.856,356 3.025,357 4.06,358 3.677,359 6.099,360 3.72,361 2.763,362 3.208,363 1.26,364 8.886,365 2.636,366 4.06,367 3.677,368 6.099,369 3.72,370 2.763,371 3.208,372 1.26,373 8.886,374 2.636,375 3.897,376 3.068,377 5.872,378 3.679,379 2.71,380 3.063,381 0.86,382 7.931,383 2.619,384 3.897,385 3.068,386 5.872,387 3.678,388 2.71,389 3.063,390 0.86,391 7.931,392 2.618,393 2.955,394 2.234,395 4.446,396 2.903,397 1.903,398 2.115,399 0.555,400 4.353,401 1.901,402 2.955,403 2.219,404 4.446,405 2.773,406 1.785,407 2.115,408 0.555,409 4.353,410 1.76,411 2.934,412 2.136,413 4.155,414 2.704,415 1.725,416 2.009,417 0.245,418 4.046,419 1.692,420 2.874,421 2.136,422 4.136,423 2.633,424 1.699,425 2.009,426 0.245,427 3.948,428 1.577,429 2.872,430 1.795,431 3.852,432 2.627,433 1.687,434 1.932,436 3.554,437 1.569,438 2.815,439 1.72,440 3.807,441 2.542,442 1.54,443 1.812,445 3.222,446 1.536,447 2.706,448 1.718,449 3.745,450 2.441,451 1.445,452 1.707,454 3.106,455 1.439,456 2.601,457 1.552,458 3.66,459 2.434,460 1.436,461 1.585,463 3.077,464 1.432,465 2.476,466 1.552,467 3.656,468 2.339,469 1.343,470 1.433,472 2.976,473 1.33,474 26.933,475 0.481,476 1.095,477 0.02,478 49.5,479 0.884,480 16,481 0.286,482 33.5,483 0.598,484 83.587,485 1.493,486 69.067,487 0.493,488 41.171,489 0.735,490 8.606,491 0.154,492 18.386,493 0.328,494 0.173,495 0.03,496 0.141,501 0.841,502 1.741,503 1.141,504 1.502,505 0.639,506 1.368,507 1.205,508 1.135,509 1.135,510 1.073,511 0.625,512 1.078,513 1.165,514 1.147,515 1.083,516 1.123,517 0.946,518 1.095,519 1.357,520 0.992,521 1.09,522 0.983,523 1.442,524 1.012,525 0.87,526 1.039,527 0.982,528 1.031,529 0.932,530 1.016,531 1.171,532 1.056,533 1.119,534 1.072,535 1.048,536 1.089,537 0.885,538 1.025,539 1.072,540 1.074,541 0.978,542 1.091,543 0.732,544 0.991,545 0.876,546 0.967,547 0.834,548 0.939,549 10.5,550 0.306,551 6,552 3.125,553 2.604,554 1.5,555 1.055,556 0.792,557 0.535,558 0.291,559 87301,560 153297,561 1.919,562 60,563 22,564 40,568 4,569 18,572 1.867,573 1.797,574 4.722,575 -0.853,582 177.067,583 1.265,584 2.714,585 4.571,586 5.322,587 5.486,588 5.486,589 4.111,590 4.736,591 5.784,592 5,593 7699.61,594 10.253,595 220339,600 998.1,601 1.426,602 5.727,603 0.184,604 0.006,605 0.083,606 0.041,607 0.035,608 0.019,609 0.014,610 0.013,611 0.009,612 0.005,613 0.408,614 0.5,615 0.75,616 1.163,617 371.105,618 0.063,619 -0.306,620 0.049,621 -0.149,622 0.005,623 -0.068,624 -0.009,625 0.078,626 -0.013,627 0.019,628 0.052,629 0.008,630 -0.041,631 -0.056,632 -0.028,633 -0.062,634 0.025,635 -0.044,636 -0.073,637 0.017,638 -0.054,639 0.017,640 -0.112,641 -0.015,642 -0.016,643 -0.011,644 0.011,645 -0.005,646 -0.022,647 0.005,648 -0.103,649 -0.031,650 -0.103,651 -0.05,652 -0.08,653 -0.073,655 -0.038,656 -0.095,657 -0.073,658 -0.075,659 -0.093,660 0.038,661 -0.054,662 0.064,663 -0.011,664 0.037,665 0.023,666 1.388,667 5.769,668 0.214,669 122.214,670 0.979,671 1.139,672 -1.742,673 3.034,674 0.602,675 4.06,676 4.29,677 4.431,678 4.511,679 4.644,680 4.595,681 4.564,682 4.575,683 4.477,684 4.369,685 16.748,686 0.543,687 781.36,688 4.06,689 5.557,690 6.344,691 7.169,692 7.978,693 8.812,694 9.631,695 10.47,696 11.294,697 12.137,698 2.9,705 2,712 2,715 8,720 4,722 12,739 2,741 140,743 14,744 2,745 57,747 141,748 48,749 12,750 4,751 8,756 2,757 2,763 4,770 16,772 14,773 34,777 2,782 2,786 2,793 84,794 6,796 8,802 4,803 2,807 2,808 1,809 4,829 2,844 2,859 2,864 8,868 56,876 26,878 2,881 2,883 2,893 2.9,896 2,898 2,901 31.167,902 26.733,903 13.278,904 10.158,907 1.626,908 1.207,909 0.89,910 25.63,911 9.48,912 4.19,913 4.564,914 4.894,915 5.208,916 5.597,917 5.522,918 5.611,919 5.734,920 5.623,921 5.499,922 0.947,923 77,924 20.944,926 8.18,927 0.026,929 7.446,931 42.062,933 33.255,936 1.946,937 109,941 988.773,942 237.547,943 6.249,945 72.29,948 237.547,949 1061.06,950 6.249,951 68.886,952 72.832,953 75.81,954 59.699,955 38.858,957 988.773,959 988.773,960 243.795,961 72.29,964 776.893,965 284.169,968 108.132,969 135.663,972 988.773,973 78.538,974 237.547,977 988.773,978 92.85,979 150.945,981 72.29,982 988.773,983 78.538,984 237.547,986 0.552,987 0.314,988 0.149,989 0.082,990 20,991 12,992 0.234,993 33,995 1,996 6.495,997 506.166,999 12,1000 269.212,1005 49.704,1006 28.876,1007 20.71,1009 78.538,1010 16.933,1015 4.617,1018 1304.86,1019 65,1024 25.537,1028 0.557,1031 137.06,1032 159.439,1034 0.177,1035 0.381,1036 0.641,1037 0.746,1038 0.77,1039 0.77,1040 5.407,1041 1.785,1042 6.312,1043 4.353,1044 4.977,1045 5.252,1046 3.103,1047 7.071,1048 4.894,1049 6.535,1050 1.725,1051 7.851,1052 4.353,1053 4.575,1054 4.934,1055 2.54,1056 8.278,1057 4.373,1058 7.803,1059 1.699,1060 9.516,1061 4.046,1062 6.575,1063 7.182,1064 3.822,1065 11.214,1066 6.371,1067 9.112,1068 1.687,1069 11.262,1070 3.948,1071 7.074,1072 7.707,1073 3.926,1074 13.271,1075 6.732,1076 10.461,1077 1.54,1078 13.061,1079 3.554,1080 8.525,1081 9.458,1082 4.894,1083 15.826,1084 8.167,1085 11.835,1086 1.445,1087 14.896,1088 3.222,1089 9.41,1090 10.346,1091 5.279,1092 18.15,1093 8.92,1094 13.228,1095 1.436,1096 16.754,1097 3.106,1098 10.668,1099 11.904,1100 6.104,1101 20.624,1102 10.138,1103 3.293,1104 1.343,1105 18.628,1106 3.077,1107 11.716,1108 12.971,1109 6.625,1110 23.037,1111 11.067,1112 3.293,1113 11.856,1114 20.514,1115 2.976,1116 12.909,1117 14.437,1118 7.376,1119 25.498,1120 12.198,1121 2.763,1122 11.856,1123 22.41,1124 3.827,1125 14.026,1126 15.604,1127 7.965,1128 27.945,1129 13.207,1130 2.763,1131 8.886,1132 24.312,1133 3.827,1134 15.2,1135 17.019,1136 8.675,1137 30.408,1138 14.306,1139 2.71,1140 8.886,1141 26.22,1142 3.208,1143 16.349,1144 18.248,1145 9.299,1146 32.868,1147 15.354,1148 2.71,1149 7.931,1150 28.133,1151 3.208,1152 17.521,1153 19.634,1154 9.987,1155 35.335,1156 16.442,1157 1.903,1158 7.931,1159 30.05,1160 3.063,1161 18.686,1162 20.902,1163 10.63,1164 37.802,1165 17.51,1166 86928,1167 115364,1168 36.515,1169 84.297,1170 79.542,1171 80.964,1172 84.389,1173 79.378,1174 79.204,1175 89.948,1176 19.443,1177 209.237,1178 76.252,1179 5.353,1180 5.7,1181 6.882,1182 5.241,1183 5.293,1184 6.827,1185 3.348,1186 18.55,1187 5.025,1188 36.534,1189 1.395,1190 1.42,1191 1.481,1192 1.393,1193 1.39,1194 1.578,1195 0.341,1196 3.671,1197 1.338,1198 4.04,1199 4.094,1200 3.95,1201 3.917,1202 7.429,1203 3.918,1204 3.965,1205 4.013,1206 3.891,1207 3.86,1208 7.425,1209 3.862,1210 3.85,1211 3.904,1212 3.738,1213 3.715,1214 4.864,1215 3.709,1216 3.811,1217 3.862,1218 3.699,1219 3.658,1220 4.829,1221 3.656,1222 3.785,1223 3.844,1224 3.659,1225 3.636,1226 4.384,1227 3.627,1228 3.746,1229 3.808,1230 3.637,1231 3.548,1232 4.376,1233 3.558,1234 3.678,1235 3.741,1236 3.533,1237 3.503,1238 4.349,1239 3.506,1240 3.584,1241 3.659,1242 3.404,1243 3.426,1244 4.317,1245 3.411,1246 0.076,1247 0.065,1248 0.123,1249 0.074,1250 0.058,1251 4.36,1252 0.067,1253 3.7,1254 0.034,1255 6.992,1256 0.208,1257 4.209,1258 0.053,1259 3.293,1260 3.827,1261 1.94,1262 11.856,1263 3.025,1264 1.941,1265 1.907,1266 2.096,1267 2.103,1268 1.435,1269 2.105,1270 1.941,1271 1.907,1272 2.095,1273 2.103,1274 1.434,1275 2.104,1276 1.82,1277 1.761,1278 2.052,1279 1.994,1280 1.409,1281 2.013,1282 1.796,1283 1.739,1284 1.994,1285 1.961,1286 1.27,1287 1.971,1288 1.781,1289 1.72,1290 1.987,1291 1.94,1292 1.26,1293 1.956,1294 1.703,1295 1.637,1296 1.929,1297 1.917,1298 1.216,1299 1.922,1300 1.66,1301 1.595,1302 1.908,1303 1.862,1304 1.138,1305 1.88,1306 1.598,1307 1.526,1308 1.889,1309 1.796,1310 1.138,1311 1.831,1312 4.745,1314 5.999,1316 7.434,1318 8.955,1320 10.524,1322 17.441,1328 26.037,1330 12.03,1333 3.872,1335 1.975,1340 76.017,1341 177.067,1342 379.954,1343 639.945,1344 745.041,1345 768.061,1346 768.061,1347 269.596,1348 7.854,1349 59.08,1350 59.08,1351 12,1352 12.705,1353 3.907,1354 3.17,1355 198.118,1356 586,1357 474,1358 0.155,1359 479.086,1360 853.12,1361 1160.73,1362 43919,1364 41.075,1365 0.733,1366 0.67,1367 41.075,1368 37.531,1369 26.991,1370 0.474,1371 0.402,1372 22.621,1373 26.09,1374 21.831,1375 18.519,1376 26.991,1377 22.887,1378 22.437,1379 0.312,1380 0.243,1381 22.437,1382 17.468,1383 17.598,1384 0.212,1385 0.147,1386 17.598,1387 12.241,1388 12.079,1389 0.134,1390 0.086,1391 12.079,1392 7.751,1393 9.325,1394 0.091,1395 0.052,1396 9.325,1397 5.403,1398 0.268,1399 167.8,1400 0.165,1401 49.869,1402 0.366,1403 258,1404 564.898,1405 278.562,1406 538.719,1407 724.54,1408 506,1409 284,1410 515.055,1411 307.286,1412 521.965,1413 746.26,1414 488,1415 7.76}
{0 CHEMBL265416,1 1.552,2 14.118,3 4.897,4 23.982,5 129.407,6 7.94,7 0.486,8 4.168,9 4.259,10 3.787,11 3.698,12 5.376,13 3.7,14 4.681,15 4.823,16 4.13,17 4.072,18 5.934,19 4.066,20 4.857,21 4.99,22 4.252,23 4.248,24 6.019,25 4.218,26 5.067,27 5.263,28 4.242,29 4.265,30 6.214,31 4.218,32 5.064,33 5.251,34 4.146,35 4.221,36 6.251,37 4.166,38 4.975,39 5.184,40 3.984,41 4.157,42 6.064,43 4.068,44 4.902,45 5.13,46 3.869,47 4.046,48 5.992,49 3.951,50 4.681,51 4.87,52 3.837,53 3.899,54 5.857,55 3.844,56 0.165,57 0.775,58 10.405,59 5.427,60 8.856,61 6.345,62 0.56,63 1.227,64 21.106,65 8.618,66 62.125,67 10.198,68 0.364,69 1.478,70 23.425,71 11.026,72 30.489,73 13.245,74 0.669,75 1.746,76 34.265,77 13.019,78 63.9,79 16.536,80 0.95,81 1.669,82 35.214,83 12.694,84 96.733,85 15.398,86 0.678,87 1.553,88 32.265,89 12.326,90 75.55,91 15.79,92 0.687,93 1.41,94 31.647,95 11.688,96 94.664,97 15.302,98 0.515,99 1.168,100 23.274,101 8.877,102 51.818,103 11.08,104 46,105 52,106 0.25,107 0.565,108 0.721,109 0.813,110 0.843,111 0.848,112 3.56,113 0.859,114 -5.36,115 -5.24,116 -4.9,121 44.8,126 3,127 2,137 1,138 1,144 10,145 4,146 4,160 1,168 2,176 14,179 2,180 10,187 16,191 1,192 17,200 13,205 2,206 17,214 8,218 3,219 11,227 9,231 1,232 6,239 11,243 1,244 8,251 11,255 2,256 11,264 9,269 9,277 6,281 2048,282 22.911,283 22.911,284 22.911,285 22.911,286 22.911,287 20.171,288 26.55,289 13.31,290 23.498,291 18.13,292 18.13,293 18.13,294 18.13,295 18.13,296 13.814,297 33.569,298 6.13,299 18.859,300 4.306,301 2.347,302 1.383,303 0.811,304 0.625,305 0.591,306 4.254,311 1,312 1,313 1025,314 3.873,318 443.054,322 170.384,325 2.36,326 39.588,329 1,330 0.83,331 1,332 0.6,333 0.5,334 1,335 1,336 0.85,337 75,338 480,339 4.511,340 3.807,341 6.553,342 4.125,343 3.149,344 4.166,345 2.612,346 10.396,347 3.074,348 4.389,349 3.729,350 6.415,351 3.954,352 2.978,353 4.095,354 1.674,355 9.799,356 2.906,357 4.246,358 3.234,359 6.271,360 3.852,361 2.878,362 3.833,363 0.995,364 9.454,365 2.794,366 3.918,367 3.04,368 5.835,369 3.565,370 2.598,371 3.367,372 0.86,373 7.958,374 2.516,375 3.671,376 2.752,377 5.5,378 3.334,379 2.389,380 3.005,381 0.86,382 7.385,383 2.246,384 3.575,385 2.699,386 5.105,387 3.11,388 2.144,389 2.968,390 0.359,391 6.011,392 2.059,393 3.342,394 2.526,395 4.973,396 2.914,397 1.935,398 2.534,400 5.618,401 1.884,402 3.176,403 2.23,404 4.734,405 2.778,406 1.819,407 2.348,409 5.071,410 1.735,411 3.061,412 2.149,413 4.551,414 2.662,415 1.696,416 2.217,418 4.535,419 1.628,420 2.789,421 1.685,422 4.145,423 2.379,424 1.393,425 1.864,427 3.435,428 1.371,429 2.644,430 1.504,431 3.71,432 2.185,433 1.276,434 1.597,436 3.088,437 1.147,438 2.604,439 1.323,440 3.466,441 2,442 1,443 1.583,445 2.304,446 1,447 2.5,448 1.163,449 3.414,450 2,451 1,452 1.5,454 2.275,455 1,456 2.019,457 1.003,458 3.4,459 1.61,460 0.666,461 0.851,463 1.491,464 0.618,465 1.496,466 1,467 2.949,468 1.233,469 0.384,470 0.415,472 0.532,473 0.323,474 15.8,475 0.465,476 0.869,477 0.026,478 47.25,479 1.39,480 25.5,481 0.75,482 21.75,483 0.64,484 26.176,485 0.77,486 36.4,487 0.628,488 40.537,489 1.192,490 9.881,491 0.291,492 6.508,493 0.191,494 0.158,496 0.367,501 0.607,502 1.19,503 0.694,504 1.086,505 0.526,506 0.948,507 0.912,508 0.818,509 0.799,510 0.762,511 0.483,512 0.741,513 0.747,514 1.299,515 0.913,516 1.246,517 0.581,518 1.145,519 0.882,520 1.059,521 0.922,522 1.053,523 0.82,524 1.002,525 1.201,526 0.957,527 1.148,528 0.975,529 1.284,530 1.037,531 0.883,532 0.977,533 1.06,534 1.042,535 0.885,536 1.081,537 0.86,538 0.903,539 0.942,540 0.912,541 1.114,542 0.947,543 0.976,544 0.992,545 1.009,546 1.002,547 1.027,548 1.012,549 7.5,550 0.219,551 4,552 2.625,553 2.453,554 1.319,555 0.908,556 0.498,557 0.344,558 0.239,559 17903,560 55728,561 2.042,562 41.4,564 24,572 1.755,573 1.889,574 3.754,575 -0.758,582 90.003,583 1.552,584 3.511,585 4.475,586 5.047,587 5.233,588 5.267,589 3.268,590 4.712,591 5.06,592 3.98,593 2232.74,594 8.844,595 35518,600 339.763,601 1.484,602 5.006,603 0.203,604 0.009,605 0.077,606 0.046,607 0.045,608 0.027,609 0.022,610 0.013,611 0.01,612 0.008,613 0.46,614 0.17,615 0.88,616 0.9,617 185.149,618 0.101,619 -0.068,620 0.068,621 -0.055,622 -0.013,623 -0.019,624 0.017,625 0.255,626 0.088,627 0.231,628 0.167,629 0.196,630 0.019,631 -0.253,632 -0.071,633 -0.223,634 0.024,635 -0.18,636 0.003,637 -0.054,638 0.045,639 -0.074,640 0.018,641 -0.015,642 -0.104,643 0.023,644 -0.148,645 -0.004,646 -0.139,647 -0.073,648 -0.036,649 -0.009,650 -0.081,651 -0.048,652 -0.041,653 -0.067,654 -0.002,655 0.024,656 0.074,657 0.089,658 -0.07,659 0.095,660 -0.045,661 0.004,662 -0.043,663 -0.017,664 -0.045,665 -0.03,666 2.362,667 5.639,668 0.647,669 40.498,670 1.015,671 1.118,672 4.131,673 17.069,674 0.674,675 3.638,676 3.97,677 4.248,678 4.511,679 4.754,680 4.82,681 4.956,682 5.088,683 5.17,684 5.193,685 8.433,686 0.657,687 460.52,688 3.638,689 5.187,690 6.043,691 6.927,692 7.799,693 8.685,694 9.563,695 10.451,696 11.333,697 12.222,698 3.4,701 1,709 1,715 10,720 8,722 18,735 1,739 2,741 58,743 22,744 3,745 37,747 61,748 26,749 18,750 8,751 10,752 3,756 4,757 5,772 21,773 5,777 4,779 1,782 3,784 1,786 2,793 24,794 7,796 8,802 2,808 0.75,809 6,829 4,833 1,846 1,849 1,850 1,855 1,859 3,864 3,868 34,876 2,878 3,881 1,893 10.3,896 1,898 3,899 2,901 18,902 11.567,903 7.583,904 3.176,907 4.04,908 1.495,909 0.965,910 7.081,911 12.195,912 3.932,913 4.538,914 5.101,915 5.658,916 6.208,917 6.456,918 6.826,919 7.18,920 7.513,921 7.787,922 1,923 57,924 12.554,926 5.33,927 0.026,929 7.946,931 23.43,933 18.779,936 2.446,937 83.167,940 1,941 282.506,942 180.219,943 8.794,945 108.892,948 180.219,949 391.398,950 8.794,951 35.833,952 4.211,953 104.239,954 32.336,955 70.539,957 282.506,958 50.747,959 282.506,960 189.013,961 108.892,964 282.506,965 58.145,966 50.747,968 7.336,969 166.531,970 15.146,972 282.506,973 117.686,974 180.219,977 282.506,978 45.818,979 143.196,981 108.892,982 282.506,983 117.686,984 180.219,986 0.581,987 0.349,988 0.192,989 0.105,990 24,991 12,992 0.131,993 8,994 1,995 1.091,996 4.438,997 312.695,998 0.091,999 22,1000 166.974,1005 23.645,1006 10.182,1007 5.204,1009 112.016,1010 17.747,1015 4.693,1018 580.411,1019 50,1021 -0.362,1024 35.142,1026 1.777,1031 58.887,1032 64.82,1034 0.265,1035 0.599,1036 0.764,1037 0.862,1038 0.893,1039 0.899,1040 5.173,1041 1.819,1042 6.038,1043 5.618,1044 4.654,1045 5.226,1046 3.127,1047 6.86,1048 4.585,1049 6.393,1050 1.696,1051 7.607,1052 5.071,1053 4.29,1054 5.094,1055 2.396,1056 7.776,1057 4.195,1058 7.711,1059 1.393,1060 9.273,1061 4.535,1062 6.263,1063 7.426,1064 4.42,1065 10.859,1066 6.139,1067 9.062,1068 1.276,1069 10.995,1070 3.435,1071 6.686,1072 8.072,1073 4.514,1074 12.564,1075 6.532,1076 10.443,1077 1,1078 12.751,1079 3.088,1080 8.144,1081 9.9,1082 6.063,1083 15.162,1084 7.97,1085 11.843,1086 1,1087 14.53,1088 2.304,1089 8.929,1090 10.91,1091 6.557,1092 17.2,1093 8.726,1094 13.26,1095 0.666,1096 16.326,1097 2.275,1098 10.179,1099 12.524,1100 7.845,1101 19.619,1102 9.958,1103 3.149,1104 0.384,1105 18.134,1106 1.491,1107 11.137,1108 13.72,1109 8.548,1110 21.805,1111 10.889,1112 2.978,1113 10.396,1114 19.953,1115 0.532,1116 12.301,1117 15.231,1118 9.692,1119 24.156,1120 12.034,1121 2.878,1122 9.799,1123 21.778,1124 4.166,1125 13.342,1126 16.525,1127 10.509,1128 26.409,1129 13.049,1130 2.598,1131 9.454,1132 23.61,1133 4.095,1134 14.473,1135 17.985,1136 11.572,1137 28.734,1138 14.16,1139 2.389,1140 7.958,1141 25.447,1142 3.833,1143 15.554,1144 19.331,1145 12.452,1146 31.018,1147 15.215,1148 2.144,1149 7.385,1150 27.288,1151 3.367,1152 16.674,1153 20.767,1154 13.471,1155 33.335,1156 16.314,1157 1.935,1158 6.011,1159 29.133,1160 3.005,1161 17.774,1162 22.142,1163 14.386,1164 35.635,1165 17.389,1166 17188,1167 30490,1168 24.274,1169 39.114,1170 55.383,1171 57.925,1172 57.788,1173 54.808,1174 54.873,1175 72.994,1176 14.721,1177 159.344,1178 52.857,1179 5.405,1180 5.807,1181 6.235,1182 5.216,1183 5.149,1184 7.166,1185 4.612,1186 17.269,1187 5.074,1188 19.698,1189 1.497,1190 1.566,1191 1.562,1192 1.481,1193 1.483,1194 1.973,1195 0.398,1196 4.307,1197 1.429,1198 4.058,1199 4.077,1200 4.018,1201 3.978,1202 7.815,1203 3.983,1204 3.988,1205 4.007,1206 3.953,1207 3.876,1208 7.433,1209 3.884,1210 3.876,1211 3.896,1212 3.823,1213 3.803,1214 6.999,1215 3.805,1216 3.582,1217 3.633,1218 3.516,1219 3.407,1220 4.966,1221 3.422,1222 3.484,1223 3.503,1224 3.444,1225 3.232,1226 4.747,1227 3.244,1228 3.425,1229 3.465,1230 3.315,1231 3.035,1232 4.69,1233 3.133,1234 3.249,1235 3.314,1236 3.063,1237 2.953,1238 4.527,1239 2.965,1240 3.151,1241 3.216,1242 2.991,1243 2.928,1244 4.494,1245 2.931,1246 0.122,1247 0.103,1248 0.177,1249 0.111,1250 0.085,1251 4.511,1252 0.113,1253 3.807,1254 0.071,1255 6.553,1256 0.281,1257 4.125,1258 0.083,1259 3.149,1260 4.166,1261 2.612,1262 10.396,1263 3.074,1264 1.993,1265 1.979,1266 2.081,1267 2.105,1268 1.25,1269 2.087,1270 1.937,1271 1.912,1272 2.033,1273 2.07,1274 1.172,1275 2.053,1276 1.857,1277 1.84,1278 1.948,1279 1.963,1280 1.087,1281 1.958,1282 1.516,1283 1.472,1284 1.733,1285 1.754,1286 0.869,1287 1.74,1288 1.371,1289 1.324,1290 1.598,1291 1.648,1292 0.649,1293 1.598,1294 1.195,1295 1.165,1296 1.575,1297 1.601,1298 0.574,1299 1.55,1300 1.191,1301 1.116,1302 1.435,1303 1.524,1304 0.555,1305 1.539,1306 1.131,1307 1.058,1308 1.363,1309 1.368,1310 0.5,1311 1.391,1312 4.317,1314 5.645,1316 7.174,1318 8.795,1320 10.465,1322 4.982,1328 1.036,1330 16.151,1333 2.001,1340 38.126,1341 90.003,1342 203.629,1343 259.524,1344 292.743,1345 303.498,1346 305.498,1347 72.114,1348 8.155,1349 97.73,1350 97.73,1351 24,1352 12.753,1353 4.524,1354 3.807,1355 57.292,1356 176,1357 148,1358 0.159,1359 233.035,1360 419.28,1361 560.365,1362 44580,1364 24.242,1365 0.713,1366 0.562,1367 24.242,1368 19.109,1369 16.389,1370 0.443,1371 0.286,1372 10.388,1373 15.545,1374 10.051,1375 8.404,1376 16.389,1377 10.593,1378 14.751,1379 0.284,1380 0.153,1381 14.751,1382 7.948,1383 12.335,1384 0.179,1385 0.081,1386 12.335,1387 5.584,1388 10.457,1389 0.116,1390 0.044,1391 10.457,1392 3.918,1393 8.548,1394 0.074,1395 0.023,1396 8.548,1397 2.676,1398 0.258,1399 104.552,1400 0.203,1401 31.896,1402 0.417,1403 178,1404 613.703,1405 198.214,1406 577.081,1407 771.31,1408 536,1409 210,1410 559.125,1411 230.886,1412 563.768,1413 816.86,1414 522,1415 6.006}
{0 CHEMBL266045,1 1.576,2 13.886,3 3.438,4 11.817,5 132.266,6 7.363,7 0.447,8 4.272,9 4.387,10 3.82,11 3.756,12 5.388,13 3.751,14 4.814,15 4.985,16 4.148,17 4.131,18 5.877,19 4.106,20 5.027,21 5.215,22 4.305,23 4.281,24 6.127,25 4.246,26 5.098,27 5.288,28 4.294,29 4.288,30 6.218,31 4.251,32 5.166,33 5.369,34 4.224,35 4.303,36 6.264,37 4.239,38 5.155,39 5.376,40 4.11,41 4.284,42 6.274,43 4.18,44 5.169,45 5.43,46 3.948,47 4.166,48 6.211,49 4.047,50 4.984,51 5.235,52 3.749,53 3.971,54 5.994,55 3.861,56 0.098,57 0.932,58 13.665,59 5.992,60 10.093,61 7.671,62 0.451,63 1.441,64 26.588,65 9.621,66 37.497,67 12.845,68 0.623,69 1.762,70 33.467,71 11.528,72 56.928,73 16.017,74 0.689,75 1.865,76 36.318,77 11.636,78 67.606,79 16.093,80 1.032,81 1.894,82 40.453,83 12.549,84 83.06,85 17.257,86 0.784,87 1.851,88 39.696,89 13.503,90 92.247,91 19.081,92 0.796,93 1.723,94 42.998,95 13.346,96 103.71,97 19.226,98 0.671,99 1.432,100 35.712,101 10.7,102 86.389,103 15.222,104 35,105 52,106 0.25,107 0.583,108 0.739,109 0.812,110 0.833,111 0.853,112 3.588,113 0.915,114 -3.02,115 -3.02,116 -2.91,121 40,123 5,126 3,127 1,144 6,145 3,146 4,148 2,160 2,173 1,176 10,180 8,183 2,185 5,187 10,191 2,192 10,195 1,197 7,200 6,205 1,206 6,209 2,210 1,211 6,214 7,218 2,219 2,222 3,223 1,224 6,227 12,231 2,232 3,235 2,237 3,239 8,243 1,244 9,247 1,249 5,251 6,256 3,261 4,264 2,268 2,269 2,272 3,274 4,277 2,281 2178,282 24.093,283 24.093,284 24.093,285 24.093,286 24.093,287 21.835,288 25.758,289 14.218,290 24.736,291 18.561,292 18.561,293 18.561,294 18.561,295 18.561,296 14.718,297 22.104,298 6.444,299 19.258,300 4.447,301 2.354,302 1.37,303 0.912,304 0.777,305 0.65,306 4.284,312 1,313 1047,314 4.301,318 391.969,322 305.468,325 1.972,326 39.027,329 1,330 0.67,331 0.83,332 1,333 1,334 1,335 1,336 0.93,337 77,338 486,339 4.641,340 3.594,341 6.83,342 4.208,343 3.227,344 4.564,345 1.886,346 11.349,347 3.165,348 4.454,349 3.56,350 6.547,351 4.052,352 3.093,353 4.141,354 1.058,355 10.344,356 2.971,357 3.923,358 3.35,359 5.982,360 3.593,361 2.61,362 3.438,363 0.86,364 8.37,365 2.539,366 3.914,367 3.314,368 5.955,369 3.524,370 2.532,371 3.273,372 0.86,373 8.295,374 2.512,375 3.669,376 2.666,377 5.389,378 3.385,379 2.379,380 2.923,381 0.86,382 6.754,383 2.383,384 3.487,385 2.555,386 5.19,387 3.085,388 2.117,389 2.781,391 6.118,392 2.043,393 3.355,394 2.314,395 5.021,396 2.972,397 2.061,398 2.604,400 6.023,401 1.867,402 2.937,403 2.096,404 4.328,405 2.53,406 1.568,407 2.141,409 4.056,410 1.511,411 2.899,412 1.784,413 4.116,414 2.508,415 1.521,416 1.962,418 3.329,419 1.489,420 2.602,421 1.638,422 3.896,423 2.345,424 1.347,425 1.635,427 3.32,428 1.343,429 2.489,430 1.62,431 3.698,432 2.242,433 1.247,434 1.488,436 2.902,437 1.24,438 2.25,439 1.449,440 3.594,441 2.109,442 1.175,443 1.226,445 2.646,446 1.096,447 2.142,448 1.35,449 3.568,450 1.943,451 1.033,452 1.112,454 2.287,455 0.926,456 2.064,457 1.242,458 3.245,459 1.786,460 0.805,461 0.944,463 1.754,464 0.778,465 1.663,466 0.991,467 2.922,468 1.38,469 0.396,470 0.465,472 0.88,473 0.381,474 16.267,475 0.465,476 0.708,477 0.02,478 43.5,479 1.243,480 21,481 0.6,482 22.5,483 0.643,484 32.301,485 0.923,486 38.933,487 0.599,488 36.439,489 1.041,490 8.772,491 0.251,492 8.277,493 0.236,494 0.133,496 0.338,501 0.797,502 1.273,503 0.796,504 1.166,505 0.584,506 1.003,507 1.052,508 1.063,509 0.873,510 0.92,511 0.678,512 0.872,513 0.862,514 1.191,515 0.86,516 1.02,517 0.94,518 0.947,519 1.119,520 1.198,521 1.078,522 1.11,523 1.237,524 1.078,525 1.215,526 0.972,527 1.185,528 0.982,529 1.039,530 1.056,531 0.834,532 1.151,533 1.11,534 1.196,535 0.826,536 1.204,537 1.045,538 0.931,539 1.007,540 0.954,541 1.49,542 0.973,543 1.3,544 1.008,545 1.126,546 0.971,547 1.775,548 1.012,549 6,550 0.198,551 4.222,552 2.563,553 2.404,554 1.278,555 0.75,556 0.309,557 0.258,558 0.238,559 19556,560 52378,561 2.058,562 46.2,563 6,564 17,567 3,568 4,572 1.763,573 1.927,574 3.686,575 0.82,582 102.426,583 1.576,584 3.668,585 4.652,586 5.11,587 5.245,588 5.372,589 2.996,590 4.365,591 5.109,592 3.938,593 2342.82,594 8.94,595 38836.2,600 391.454,601 1.404,602 5.06,603 0.158,604 0.006,605 0.081,606 0.043,607 0.043,608 0.025,609 0.017,610 0.008,611 0.009,612 0.008,613 0.399,614 0.33,615 0.88,616 0.851,617 192.509,618 -0.025,619 -0.037,620 0.051,621 -0.05,622 -0.015,623 0.007,624 -0.06,625 0.035,626 0.063,627 0.117,628 0.021,629 0.112,630 0.082,631 -0.108,632 0.085,633 -0.007,634 0.014,635 0.033,636 -0.054,637 -0.099,638 -0.111,639 -0.139,640 -0.106,641 -0.135,642 -0.049,643 0.073,644 -0.189,645 -0.025,646 -0.037,647 -0.118,648 0.071,649 -0.144,650 -0.146,651 -0.202,652 0.16,653 -0.214,654 -0.046,655 -0.024,656 0.012,658 -0.046,659 0.014,660 -0.183,661 -0.096,662 -0.095,663 -0.028,664 -0.211,665 -0.044,666 2.015,667 5.631,668 0.571,669 34.908,670 1.008,671 1.13,672 1.787,673 3.193,674 0.649,675 3.664,676 3.97,677 4.277,678 4.543,679 4.796,680 4.86,681 4.942,682 4.942,683 4.977,684 4.875,685 8.527,686 0.623,687 478.6,688 3.664,689 5.198,690 6.057,691 6.936,692 7.815,693 8.702,694 9.588,695 10.479,696 11.368,697 12.261,698 6.2,703 1,705 2,708 1,714 2,715 6,716 1,720 7,722 17,729 1,739 3,741 65,743 19,744 2,745 38,747 68,748 26,749 15,750 6,751 6,752 1,756 4,757 7,767 4,770 5,772 17,773 9,777 2,782 2,786 2,793 30,794 9,795 3,796 9,802 4,806 1,808 0.5,809 5,822 1,829 4,833 2,859 2,864 3,868 35,876 6,877 3,878 3,893 7.7,896 2,898 3,901 18.167,902 12.533,903 8.028,904 3.829,907 3.331,908 1.413,909 0.968,910 8.314,911 11.393,912 3.902,913 4.489,914 5.098,915 5.678,916 6.259,917 6.558,918 6.872,919 7.082,920 7.348,921 7.219,922 0.889,923 59,924 12.977,926 5.449,927 0.026,929 7.795,931 24.618,933 19.792,936 2.295,937 80.333,941 317.82,942 146.026,943 70.573,945 83.29,948 146.026,949 401.109,950 70.573,951 32.649,952 50.677,953 56.857,954 94.373,955 65.332,957 317.82,959 317.82,960 216.599,961 83.29,964 317.82,965 83.29,968 55.578,969 126.347,970 34.674,972 317.82,973 153.862,974 146.026,977 317.82,978 56.52,979 89.507,980 53.787,981 100.075,982 317.82,983 153.862,984 146.026,986 0.568,987 0.352,988 0.199,989 0.112,990 23,991 11,992 0.132,993 9,994 2,995 1.2,996 4.537,997 322.343,998 0.2,999 20,1000 171.525,1005 25.078,1006 11.603,1007 5.628,1008 1.881,1009 153.862,1010 11.041,1011 4.811,1015 4.657,1017 53.787,1018 617.708,1019 48.5,1024 25.157,1028 -0.583,1031 65.531,1032 73.438,1034 0.262,1035 0.609,1036 0.772,1037 0.849,1038 0.871,1039 0.892,1040 5.137,1041 1.568,1042 6.033,1043 6.023,1044 4.654,1045 5.176,1046 2.596,1047 6.86,1048 4.591,1049 6.336,1050 1.521,1051 7.601,1052 4.056,1053 4.205,1054 5.075,1055 1.593,1056 7.818,1057 4.136,1058 7.652,1059 1.347,1060 9.274,1061 3.329,1062 6.256,1063 7.412,1064 3.144,1065 10.937,1066 6.145,1067 9.008,1068 1.247,1069 11.008,1070 3.32,1071 6.661,1072 8.159,1073 2.98,1074 12.734,1075 6.533,1076 10.399,1077 1.175,1078 12.783,1079 2.902,1080 8.152,1081 9.984,1082 4.066,1083 15.374,1084 7.996,1085 11.815,1086 1.033,1087 14.585,1088 2.646,1089 8.955,1090 11.118,1091 4.33,1092 17.514,1093 8.772,1094 13.249,1095 0.805,1096 16.407,1097 2.287,1098 10.227,1099 12.747,1100 5.191,1101 19.997,1102 10.022,1103 3.227,1104 0.396,1105 18.243,1106 1.754,1107 11.217,1108 14.069,1109 5.648,1110 22.284,1111 10.983,1112 3.093,1113 11.349,1114 20.091,1115 0.88,1116 12.406,1117 15.619,1118 6.399,1119 24.714,1120 12.149,1121 2.61,1122 10.344,1123 21.947,1124 4.564,1125 13.483,1126 17.032,1127 6.944,1128 27.067,1129 13.197,1130 2.532,1131 8.37,1132 23.811,1133 4.141,1134 14.642,1135 18.549,1136 7.64,1137 29.481,1138 14.333,1139 2.379,1140 8.295,1141 25.681,1142 3.438,1143 15.759,1144 20.008,1145 8.228,1146 31.864,1147 15.424,1148 2.117,1149 6.754,1150 27.556,1151 3.273,1152 16.911,1153 21.514,1154 8.895,1155 34.274,1156 16.553,1157 2.061,1158 6.118,1159 29.435,1160 2.923,1161 18.048,1162 22.995,1163 9.506,1164 36.673,1165 17.664,1166 18675,1167 30727,1168 25.255,1169 42.193,1170 55.531,1171 58.675,1172 58.734,1173 55.409,1174 55.601,1175 70.945,1176 11.048,1177 158.83,1178 53.675,1179 5.594,1180 5.594,1181 6.515,1182 5.249,1183 5.227,1184 7.564,1185 3.272,1186 18.88,1187 5.165,1188 18.173,1189 1.461,1190 1.544,1191 1.546,1192 1.458,1193 1.463,1194 1.867,1195 0.291,1196 4.18,1197 1.412,1198 4.113,1199 4.143,1200 4.074,1201 4.038,1202 7.431,1203 4.043,1204 3.957,1205 3.965,1206 3.924,1207 3.854,1208 7.426,1209 3.869,1210 3.733,1211 3.781,1212 3.621,1213 3.65,1214 4.986,1215 3.636,1216 3.691,1217 3.744,1218 3.596,1219 3.479,1220 4.952,1221 3.497,1222 3.432,1223 3.485,1224 3.37,1225 3.184,1226 4.58,1227 3.206,1228 3.303,1229 3.355,1230 3.171,1231 3.117,1232 4.462,1233 3.137,1234 3.292,1235 3.347,1236 3.144,1237 3.006,1238 4.42,1239 3.026,1240 3.214,1241 3.288,1242 3.032,1243 2.971,1244 4.297,1245 2.972,1246 0.122,1247 0.095,1248 0.18,1249 0.111,1250 0.085,1251 4.641,1252 0.12,1253 3.594,1254 0.05,1255 6.83,1256 0.299,1257 4.208,1258 0.083,1259 3.227,1260 4.564,1261 1.886,1262 11.349,1263 3.165,1264 2.069,1265 2.044,1266 2.154,1267 2.161,1268 1.432,1269 2.16,1270 1.888,1271 1.881,1272 1.961,1273 2.018,1274 1.146,1275 1.997,1276 1.754,1277 1.709,1278 1.949,1279 1.873,1280 1.115,1281 1.902,1282 1.62,1283 1.565,1284 1.828,1285 1.86,1286 1.05,1287 1.848,1288 1.318,1289 1.265,1290 1.59,1291 1.62,1292 0.757,1293 1.585,1294 1.247,1295 1.206,1296 1.574,1297 1.558,1298 0.623,1299 1.565,1300 1.227,1301 1.163,1302 1.552,1303 1.512,1304 0.584,1305 1.529,1306 1.165,1307 1.08,1308 1.5,1309 1.469,1310 0.577,1311 1.488,1312 4.344,1314 5.652,1316 7.175,1318 8.803,1320 10.488,1322 4.468,1328 4.358,1329 8.669,1330 15.874,1340 40.508,1341 102.426,1342 238.421,1343 302.395,1344 332.17,1345 340.925,1346 349.189,1347 75.225,1348 8.062,1349 110.81,1350 110.81,1351 24,1352 12.788,1353 4.322,1354 3.524,1355 59.881,1356 186,1357 150,1358 0.155,1359 248.482,1360 437.77,1361 598.056,1362 43146,1364 24.786,1365 0.708,1366 0.577,1367 24.786,1368 20.195,1369 17.05,1370 0.449,1371 0.305,1372 11.368,1373 16.196,1374 11.062,1375 9.211,1376 17.05,1377 11.589,1378 14.547,1379 0.28,1380 0.158,1381 14.547,1382 8.229,1383 12.737,1384 0.179,1385 0.085,1386 12.737,1387 6.061,1388 10.644,1389 0.114,1390 0.046,1391 10.644,1392 4.314,1393 8.875,1394 0.074,1395 0.026,1396 8.875,1397 3.107,1398 0.252,1399 108.569,1400 0.199,1401 32.642,1402 0.403,1403 180,1404 579.321,1405 200.28,1406 542.45,1407 735.61,1408 510,1409 213,1410 531.003,1411 234.143,1412 536.093,1413 782.09,1414 501,1415 7.05}
{0 CHEMBL266084,1 1.468,2 6.067,3 2.011,4 4.044,5 60.042,6 6.975,7 0.588,8 3.49,9 3.616,10 3.022,11 3.018,12 4.484,13 2.997,14 4.043,15 4.223,16 3.366,17 3.429,18 4.967,19 3.384,20 4.219,21 4.43,22 3.361,23 3.535,24 5.086,25 3.447,26 4.233,27 4.469,28 3.137,29 3.459,30 5.032,31 3.324,32 4.094,33 4.369,34 2.852,35 3.201,36 4.836,37 3.034,38 3.858,39 4.129,40 2.53,41 2.871,42 4.612,43 2.715,44 3.532,45 3.811,46 1.891,47 2.435,48 4.282,49 2.234,50 3.156,51 3.506,52 1.165,53 1.994,54 3.651,55 1.689,56 0.029,57 0.432,58 6.626,59 2.635,60 4.926,61 3.619,62 0.119,63 0.7,64 12.427,65 4.455,66 11.769,67 6.225,68 0.147,69 0.813,70 15.019,71 5.563,72 13.805,73 7.885,74 0.116,75 0.79,76 15.419,77 5.664,78 12.99,79 8.224,80 0.137,81 0.627,82 13.852,83 5.125,84 13.005,85 7.506,86 0.119,87 0.476,88 11.175,89 3.687,90 11.311,91 5.353,92 0.186,93 0.319,94 8.337,95 2.434,96 11.783,97 3.543,98 0.054,99 0.207,100 5.661,101 1.926,102 5.448,103 2.95,104 3,105 24,106 0.284,107 0.673,108 0.836,109 0.868,110 0.868,111 0.868,112 2.798,113 0.929,114 -2.42,115 -2.45,116 -2.4,121 41.4,123 1,126 1,127 2,144 3,145 2,146 1,154 2,176 4,180 2,185 4,187 4,192 2,196 1,197 4,200 4,206 1,211 1,214 2,219 1,222 1,224 2,227 1,237 1,247 1,281 183,282 10.525,283 10.525,284 10.525,285 10.525,286 10.525,287 9.395,288 12.683,289 6.184,290 10.821,291 8.353,292 8.353,293 8.353,294 8.353,295 8.353,296 6.489,297 14.568,298 2.87,299 8.731,300 3.39,301 1.381,302 0.535,303 0.371,304 0.371,305 0.371,306 3.476,311 1,312 1,313 200,314 1.871,317 17.966,318 51.283,321 73.056,325 0.889,326 7.562,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 32,338 91,339 4.644,340 3.348,341 6.76,342 4.194,343 3.212,344 4.595,345 0.86,346 11.119,347 3.153,348 3.824,349 2.81,350 5.63,351 3.437,352 2.481,353 3.279,354 0.657,355 7.434,356 2.373,357 3.415,358 2.325,359 5.191,360 3.014,361 2.065,362 2.745,364 6.278,365 1.95,366 3.127,367 1.993,368 4.868,369 2.721,370 1.753,371 2.366,373 5.263,374 1.693,375 2.515,376 1.629,377 3.794,378 2.344,379 1.397,380 1.516,382 3.064,383 1.322,384 2.274,385 1.201,386 3.591,387 1.978,388 1,389 1.223,391 2.543,392 0.975,393 1.832,394 1.095,395 3.101,396 1.53,397 0.632,398 0.734,400 1.252,401 0.561,402 1.455,403 0.444,404 2.762,405 1.15,406 0.241,407 0.288,409 0.434,410 0.218,411 0.735,412 -0.262,413 2.379,414 0.352,415 -0.589,416 -0.709,418 -1.303,419 -0.546,420 0.662,421 -0.456,422 2.148,423 0.276,424 -0.697,425 -0.826,427 -1.849,428 -0.677,429 0.235,430 -0.727,431 2,432 -0.013,433 -1,434 -1.276,436 -2.84,437 -0.986,438 0.136,439 -0.927,440 1.801,441 -0.169,442 -1.113,443 -1.369,445 -2.954,446 -1.035,447 -0.303,448 -1.269,449 1.343,450 -0.699,451 -1.589,452 -1.936,454 -4.164,455 -1.416,456 -0.5,457 -1.656,458 1.114,459 -0.89,460 -1.867,461 -2.171,463 -5.253,464 -1.78,465 -0.549,466 -1.768,467 0.747,468 -0.988,469 -1.924,470 -2.615,472 -5.68,473 -1.867,474 7.133,475 0.476,476 0.291,477 0.019,478 18.5,479 1.233,480 8.5,481 0.567,482 10,483 0.667,484 10.066,485 0.671,486 16.267,487 0.561,488 10.213,489 0.681,490 3.736,491 0.249,492 3.645,493 0.243,494 0.07,496 0.35,501 0.998,502 1.253,503 0.845,504 1.052,505 0.913,506 0.938,507 1.324,508 1.032,509 0.928,510 0.867,511 1.084,512 0.849,513 0.966,514 1.01,515 1.006,516 1.011,517 0.89,518 1.011,519 0.861,520 1.162,521 1.14,522 1.202,523 1.013,524 1.2,525 0.546,526 1.016,527 0.909,528 1.105,529 0.711,530 1.064,531 1.314,532 1.088,533 1.09,534 1.087,535 1.295,536 1.074,537 1.782,538 0.784,539 1.413,540 0.951,541 1.766,542 1.119,543 0.593,544 0.872,545 0.854,546 0.92,547 0.658,548 0.932,549 2.5,551 1.556,552 1.201,553 0.586,554 0.372,555 0.117,556 0.043,557 0.02,559 1595,560 3556,561 2.186,562 48.3,564 10,567 2,569 2,572 1.534,573 2.093,574 2.659,575 0.431,579 1,582 42.559,583 1.468,584 3.477,585 4.323,586 4.487,587 4.487,588 4.487,589 2.149,590 3.907,591 3.88,592 2.668,593 280.167,594 6.518,595 2209.63,597 1,600 140.881,601 1.231,602 3.859,603 0.147,605 0.065,606 0.052,607 0.034,608 0.031,609 0.015,610 0.014,611 0.02,613 0.379,614 1,615 1,616 0.781,617 56.889,618 -0.059,619 -0.059,620 0.064,621 -0.001,622 -0.008,623 0.045,624 -0.17,625 0.063,626 0.028,627 0.133,628 -0.044,629 0.11,630 -0.056,631 0.041,632 -0.066,633 -0.018,634 0.004,635 -0.041,636 -0.092,637 -0.163,638 -0.209,639 -0.222,640 -0.18,641 -0.227,642 0.196,643 -0.124,644 0.043,645 -0.13,646 0.132,647 -0.073,648 -0.101,649 -0.214,650 -0.088,651 -0.155,652 -0.136,653 -0.128,654 -0.136,655 0.084,656 -0.362,657 -0.076,658 -0.316,659 -0.228,660 0.079,661 -0.138,662 0.133,663 0.005,664 0.163,665 0.059,666 0.733,667 1.753,668 0.867,669 7.307,670 0.994,671 1.127,672 1.187,673 1.409,674 0.656,675 2.89,676 3.219,677 3.555,678 3.871,679 4.127,680 4.174,681 4.277,682 4.344,683 4.06,684 3.871,685 3.64,686 0.618,687 202.28,688 2.89,689 4.419,690 5.293,691 6.188,692 7.086,693 7.991,694 8.895,695 9.804,696 10.711,697 11.62,698 6.9,700 1,706 1,714 2,715 3,717 1,720 3,722 10,739 1,741 29,743 10,744 1,745 17,747 31,748 12,749 8,750 3,751 3,756 3,757 6,767 1,770 1,772 8,773 4,790 1,793 14,794 2,795 2,796 3,802 2,808 0.333,809 1,824 1,828 1,829 2,832 2,853 1,859 1,864 1,868 15,876 3,877 1,878 1,893 3.4,898 1,901 7.167,902 5.417,903 3.333,904 1.715,907 2.123,908 1.333,909 1.041,910 2.094,911 8.498,912 3.135,913 3.79,914 4.473,915 5.143,916 5.694,917 6.034,918 6.409,919 6.74,920 6.514,921 6.418,922 1,923 23,924 5.537,925 -0.001,926 2.341,927 0.026,929 7.456,931 10.95,933 9.227,936 1.956,937 29.333,938 0.008,941 141.253,942 61.961,943 34.796,945 11,948 61.961,949 152.253,950 34.796,951 10.883,952 6.746,953 46.439,955 38.787,956 4.901,957 141.253,959 141.253,960 96.757,961 11,964 117.711,965 34.542,968 41.542,969 55.215,972 141.253,973 45.796,974 61.961,977 141.253,978 22.649,979 39.312,980 34.796,981 11,982 141.253,983 45.796,984 61.961,986 0.575,987 0.353,988 0.203,989 0.117,990 14,991 5,992 0.032,993 1,994 2,995 1.308,996 2.775,997 105.612,998 0.308,999 13,1000 58.603,1005 9.098,1006 3.453,1007 1.4,1008 2.523,1009 29.011,1010 6.209,1012 3.449,1015 3.704,1017 34.796,1018 249.01,1019 22,1031 28.833,1032 32.697,1034 0.302,1035 0.716,1036 0.89,1037 0.924,1038 0.924,1039 0.924,1040 4.363,1041 0.241,1042 5.273,1043 1.252,1044 3.892,1045 4.472,1046 1.207,1047 6.116,1048 3.818,1049 5.575,1050 -0.589,1051 6.843,1052 0.434,1053 3.434,1054 4.407,1056 7.066,1057 3.353,1058 6.903,1059 -0.697,1060 8.515,1061 -1.303,1062 5.501,1063 6.797,1064 0.903,1065 10.206,1066 5.38,1067 8.276,1068 -1,1069 10.25,1070 -1.849,1071 5.916,1072 7.618,1074 12.033,1075 5.79,1076 9.688,1077 -1.113,1078 12.026,1079 -2.84,1080 7.431,1081 9.475,1082 0.678,1083 14.685,1084 7.278,1085 11.126,1086 -1.589,1087 13.83,1088 -2.954,1089 8.26,1090 10.694,1092 16.87,1093 8.101,1094 12.585,1095 -1.867,1096 15.656,1097 -4.164,1098 9.553,1099 12.347,1100 0.512,1101 19.361,1102 9.374,1103 3.212,1104 -1.924,1105 17.498,1106 -5.253,1107 10.573,1108 13.743,1110 21.686,1111 10.384,1112 2.481,1113 11.119,1114 19.353,1115 -5.68,1116 11.781,1117 15.316,1118 0.387,1119 24.123,1120 11.575,1121 2.065,1122 7.434,1123 21.219,1124 4.595,1125 12.884,1126 16.787,1128 26.5,1129 12.665,1130 1.753,1131 6.278,1132 23.094,1133 3.279,1134 14.062,1135 18.33,1136 0.293,1137 28.919,1138 13.826,1139 1.397,1140 5.263,1141 24.975,1142 2.745,1143 15.2,1144 19.833,1146 31.315,1147 14.949,1148 1,1149 3.064,1150 26.862,1151 2.366,1152 16.368,1153 21.364,1154 0.221,1155 33.727,1156 16.1,1157 0.632,1158 2.543,1159 28.753,1160 1.516,1161 17.522,1162 22.88,1164 36.132,1165 17.238,1166 1575,1167 2405,1168 11.731,1169 19.034,1170 25.466,1171 26.038,1172 26.342,1173 25.488,1174 25.559,1175 33.495,1176 3.035,1177 74.776,1178 24.492,1179 5.587,1180 5.348,1181 6.441,1182 5.23,1183 5.212,1184 7.595,1185 1.72,1186 18.123,1187 5.153,1188 4.498,1189 1.498,1190 1.532,1191 1.55,1192 1.499,1193 1.503,1194 1.97,1195 0.179,1196 4.399,1197 1.441,1198 4.155,1199 4.188,1200 4.116,1201 4.067,1202 4.99,1203 4.075,1204 3.656,1205 3.71,1206 3.555,1207 3.512,1208 4.628,1209 3.514,1210 3.342,1211 3.408,1212 3.206,1213 3.09,1214 4.244,1215 3.107,1216 3.111,1217 3.202,1218 2.9,1219 2.888,1220 3.91,1221 2.877,1222 3.02,1223 3.104,1224 2.863,1225 2.851,1226 3.738,1227 2.843,1228 2.831,1229 2.911,1230 2.628,1231 2.664,1232 3.412,1233 2.644,1234 2.419,1235 2.536,1236 2.205,1237 2.211,1238 3.043,1239 2.198,1240 2.186,1241 2.293,1242 1.948,1243 1.861,1244 2.938,1245 1.867,1246 0.273,1247 0.197,1248 0.398,1249 0.247,1250 0.189,1251 4.644,1252 0.27,1253 3.348,1254 0.051,1255 6.76,1256 0.654,1257 4.194,1258 0.185,1259 3.212,1260 4.595,1261 0.86,1262 11.119,1263 3.153,1264 1.939,1265 1.921,1266 2.029,1267 2.023,1268 1.287,1269 2.025,1270 1.768,1271 1.712,1272 1.932,1273 1.964,1274 1.089,1275 1.96,1276 1.261,1277 1.198,1278 1.58,1279 1.564,1280 0.718,1281 1.565,1282 1.13,1283 1.046,1284 1.451,1285 1.387,1286 0.576,1287 1.412,1288 1.017,1289 0.942,1290 1.283,1291 1.257,1292 0.426,1293 1.279,1294 0.825,1295 0.746,1296 1.087,1297 1.039,1298 0.196,1299 1.067,1300 0.665,1301 0.58,1302 0.995,1303 0.889,1304 0.107,1305 0.93,1306 0.171,1307 0.02,1308 0.666,1309 0.532,1311 0.587,1312 3.555,1314 4.875,1315 2.398,1316 6.415,1317 4.844,1318 8.052,1319 7.05,1320 9.738,1322 1.71,1328 3.117,1329 3.368,1330 5.253,1340 17.918,1341 42.559,1342 100.842,1343 125.372,1344 130.127,1345 130.127,1346 130.127,1347 13.06,1348 6.375,1349 37.05,1350 37.05,1351 17,1352 12.136,1353 3.459,1354 2.585,1355 19.856,1356 33,1357 34,1358 0.324,1359 109.574,1360 177.51,1361 259.12,1362 3979,1364 10.251,1365 0.683,1366 0.584,1367 10.251,1368 8.762,1369 7.381,1370 0.434,1371 0.31,1372 5.183,1373 7.089,1374 5.045,1375 4.173,1376 7.381,1377 5.265,1378 6.455,1379 0.269,1380 0.163,1381 6.455,1382 3.92,1383 5.857,1384 0.172,1385 0.09,1386 5.857,1387 3.055,1388 5.028,1389 0.107,1390 0.048,1391 5.028,1392 2.273,1393 4.293,1394 0.07,1395 0.027,1396 4.293,1397 1.643,1398 0.47,1399 46.312,1400 0.292,1401 14.735,1402 1.003,1403 82,1404 204.401,1405 88.32,1406 197.163,1407 279.45,1408 188,1409 99,1410 210.926,1411 105.516,1412 215.894,1413 317.65,1414 203,1415 5}
{0 CHEMBL267649,1 1.502,2 14.533,3 5.615,4 31.526,5 132.388,6 7.173,7 0.5,8 4.185,9 4.303,10 3.8,11 3.769,12 5.154,13 3.678,14 4.738,15 4.933,16 4.069,17 4.136,18 5.603,19 4.013,20 4.859,21 5.028,22 4.114,23 4.237,24 5.72,25 4.069,26 5.074,27 5.356,28 4.142,29 4.301,30 5.756,31 4.062,32 4.865,33 5.064,34 4.026,35 4.198,36 5.682,37 3.993,38 4.869,39 5.115,40 3.852,41 4.145,42 5.593,43 3.937,44 4.777,45 5.009,46 3.949,47 4.101,48 5.562,49 3.911,50 4.831,51 5.071,52 3.9,53 4.086,54 5.605,55 3.895,56 0.053,57 0.861,58 15.433,59 6.658,60 10.796,61 8.498,62 0.259,63 1.437,64 34.419,65 11.589,66 21.366,67 13.991,68 0.43,69 1.508,70 34.381,71 13.237,72 29.574,73 16.335,74 0.248,75 1.834,76 47.73,77 17.73,78 30.274,79 21.839,80 0.406,81 1.518,82 44.874,83 15.045,84 32.809,85 16.519,86 0.211,87 1.536,88 37.574,89 13.778,90 23.165,91 17.758,92 0.181,93 1.379,94 34.095,95 13.177,96 23.171,97 16.077,98 0.383,99 1.449,100 43.231,101 14.065,102 30.216,103 16.201,104 25,105 42,106 0.243,107 0.463,108 0.607,109 0.67,110 0.68,111 0.68,112 3.439,113 1.169,114 -3.94,115 -3.9,116 -3.7,121 38.7,126 4,127 6,144 8,145 2,154 4,176 8,180 4,187 8,191 2,192 4,200 9,206 2,214 6,219 2,227 5,232 6,239 6,244 4,251 8,256 6,264 8,269 4,277 4,281 1804,282 20.085,283 20.085,284 20.085,285 20.085,286 20.085,287 18.146,288 26.691,289 12.288,290 20.662,291 15.87,292 15.87,293 15.87,294 15.87,295 15.87,296 12.918,297 34.356,298 5.91,299 16.738,300 4.452,301 3.097,302 2.21,303 1.823,304 1.758,305 1.758,306 4.121,312 1,313 912,314 4.123,317 185.556,318 117.076,325 2.498,326 13.118,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 63,338 436,339 4.199,340 4.313,341 6.138,342 3.835,343 2.851,344 3.804,345 3.52,346 9.034,347 2.805,348 4.124,349 4.271,350 5.676,351 3.75,352 2.763,353 3.735,354 3.52,355 7.971,356 2.728,357 4.12,358 3.155,359 5.675,360 3.745,361 2.755,362 3.733,363 0.916,364 7.97,365 2.726,366 3.372,367 3.007,368 5.031,369 3.178,370 2.244,371 2.509,372 0.916,373 6.088,374 2.097,375 3.367,376 2.912,377 5.028,378 3.172,379 2.235,380 2.505,381 0.57,382 6.08,383 2.095,384 2.987,385 2.726,386 4.455,387 2.728,388 1.819,389 2.112,390 0.57,391 4.541,392 1.649,393 2.945,394 2.495,395 4.337,396 2.681,397 1.748,398 2.098,399 0.172,400 4.334,401 1.624,402 2.886,403 2.274,404 4.327,405 2.587,406 1.62,407 1.94,408 0.172,409 4.272,410 1.557,411 2.876,412 2.135,413 3.658,414 2.469,415 1.487,416 1.932,418 3.138,419 1.458,420 2.29,421 1.762,422 3.374,423 1.902,424 1.035,425 1.244,427 2.315,428 0.874,429 2.261,430 1.686,431 3.373,432 1.876,433 1.026,434 1.202,436 2.297,437 0.849,438 2.16,439 1.382,440 3.259,441 1.702,442 0.719,443 1.028,445 1.709,446 0.702,447 2.105,448 1.338,449 3.255,450 1.672,451 0.706,452 0.992,454 1.685,455 0.674,456 1.361,457 0.758,458 2.741,459 1.093,460 0.164,461 0.19,463 0.391,464 0.148,465 1.014,466 0.757,467 2.59,468 0.782,469 -0.138,470 -0.154,472 -0.349,473 -0.121,474 15.133,475 0.504,476 0.681,477 0.023,478 32.5,479 1.083,480 14,481 0.467,482 18.5,483 0.617,484 31.193,485 1.04,486 33.467,487 0.54,488 21.151,489 0.705,490 5.916,491 0.197,492 8.575,493 0.286,494 0.132,496 0.251,501 0.903,502 1.334,503 0.813,504 1.043,505 0.924,506 1.053,507 1.397,508 0.922,509 1.297,510 1.077,511 0.944,512 0.888,513 1.467,514 1.153,515 1.073,516 1.123,517 1.656,518 1.266,519 0.573,520 0.886,521 0.877,522 0.908,523 0.544,524 0.838,525 1.96,526 0.993,527 1.517,528 1.19,529 1.84,530 1.091,531 0.582,532 1.117,533 1.079,534 1.178,535 0.722,536 1.121,537 0.848,538 1,539 0.994,540 1.042,541 0.78,542 0.973,543 1.354,544 0.921,545 1.429,546 1.206,547 1.194,548 0.912,549 6.5,550 0.213,551 2,552 1.889,553 0.792,554 0.827,555 0.407,556 0.245,557 0.244,558 0.149,559 13600,560 31077,561 2.032,562 51.6,564 32,572 1.723,573 1.915,574 3.808,575 -0.792,582 93.121,583 1.502,584 2.857,585 3.744,586 4.131,587 4.196,588 4.196,589 3.24,590 3.64,591 4.875,592 4.022,593 1749.37,594 8.478,595 26851.4,600 369.16,601 1.338,602 4.843,603 0.203,604 0.008,605 0.048,606 0.052,607 0.022,608 0.025,609 0.014,610 0.007,611 0.008,612 0.006,613 0.393,614 0.33,615 0.88,616 1.072,617 159.915,618 0.045,619 -0.185,620 0.094,621 -0.028,622 0.017,623 -0.018,624 -0.136,625 0.236,626 -0.086,627 0.038,628 0.062,629 0.106,630 -0.037,631 -0.129,632 -0.113,633 -0.121,634 -0.342,635 -0.27,636 0.116,637 0.072,638 0.219,639 0.154,640 0.237,641 0.173,642 -0.336,643 0.051,644 -0.185,645 0.015,646 -0.4,647 -0.076,648 0.037,649 -0.122,650 -0.064,651 -0.141,652 0.016,653 -0.102,654 0.042,655 -0.014,656 0.077,657 0.031,658 0.177,659 0.051,660 -0.085,661 0.107,662 -0.085,663 -0.004,664 -0.018,665 0.105,666 0.656,667 2.422,668 0.533,669 37.227,670 0.988,671 1.121,672 2.712,673 7.355,674 0.672,675 3.497,676 3.761,677 3.912,678 4.143,679 4.159,680 4.174,681 4.234,682 4.205,683 4.344,684 4.466,685 8.56,686 0.609,687 444.72,688 3.497,689 5.004,690 5.802,691 6.645,692 7.459,693 8.304,694 9.124,695 9.969,696 10.794,697 11.637,698 3.2,701 2,715 8,718 2,720 6,722 16,741 62,743 16,744 1,745 32,747 64,748 24,749 14,750 2,751 4,756 3,757 3,772 14,773 10,792 2,793 32,794 4,796 6,797 2,802 2,808 1,809 2,828 2,829 1,855 2,859 3,860 2,862 2,864 4,868 30,876 6,879 2,881 2,893 3.2,898 2,901 15.667,902 12.233,903 6.694,904 3.368,907 2.921,908 1.398,909 0.952,910 9.311,911 10.256,912 3.714,913 4.234,914 4.696,915 5.209,916 5.376,917 5.392,918 5.559,919 5.663,920 6.067,921 6.453,922 0.9,923 36,924 11.096,926 4.416,927 0.026,929 7.422,931 21.992,933 17.404,936 1.922,937 57.667,941 376.675,942 209.811,943 6.249,945 19.015,947 64.439,948 145.372,949 395.69,950 6.249,951 33.586,952 7.81,953 75.81,955 31.634,956 21.795,957 441.114,959 376.675,960 151.621,961 19.015,962 64.439,964 376.675,965 19.015,968 14.059,969 137.562,971 64.439,972 376.675,973 25.263,974 209.811,977 376.675,978 100.416,979 115.644,981 19.015,982 376.675,983 25.263,984 209.811,986 0.566,987 0.298,988 0.166,989 0.081,990 17,991 8,992 0.188,993 12,995 1,996 4.37,997 237.257,999 16,1000 113.207,1001 2,1005 23.392,1006 11.941,1007 8.068,1009 25.263,1010 17.106,1013 11.845,1015 6.967,1018 611.75,1019 40,1031 61.265,1032 69.483,1034 0.252,1035 0.48,1036 0.629,1037 0.694,1038 0.705,1039 0.705,1040 4.92,1041 1.62,1042 5.753,1043 4.334,1044 4.443,1045 4.92,1046 4.005,1047 6.457,1048 4.355,1049 6.08,1050 1.487,1051 7.239,1052 4.272,1053 3.892,1054 4.543,1055 0.57,1056 7.111,1057 3.823,1058 7.341,1059 1.035,1060 8.817,1061 3.138,1062 5.932,1063 6.988,1064 6.425,1065 10.139,1066 5.801,1067 8.635,1068 1.026,1069 10.448,1070 2.315,1071 6.176,1072 7.468,1073 0.674,1074 11.63,1075 6.077,1076 9.962,1077 0.719,1078 12.115,1079 2.297,1080 7.667,1081 9.342,1082 8.937,1083 14.125,1084 7.515,1085 11.311,1086 0.706,1087 13.807,1088 1.709,1089 8.295,1090 10.233,1091 0.66,1092 15.982,1093 8.171,1094 12.677,1095 0.164,1096 15.518,1097 1.685,1098 9.543,1099 11.844,1100 11.454,1101 18.276,1102 9.379,1103 2.851,1104 -0.138,1105 17.243,1106 0.391,1107 10.367,1108 12.94,1109 0.611,1110 20.3,1111 10.22,1112 2.763,1113 9.034,1114 18.979,1115 -0.349,1116 11.499,1117 14.419,1118 13.971,1119 22.516,1120 11.324,1121 2.755,1122 7.971,1123 20.724,1124 3.804,1125 12.424,1126 15.62,1127 0.55,1128 24.618,1129 12.255,1130 2.244,1131 7.97,1132 22.477,1133 3.735,1134 13.501,1135 17.03,1136 16.487,1137 26.804,1138 13.31,1139 2.235,1140 6.088,1141 24.236,1142 3.733,1143 14.477,1144 18.287,1145 0.487,1146 28.944,1147 14.285,1148 1.819,1149 6.08,1150 26,1151 2.509,1152 15.529,1153 19.66,1154 19.004,1155 31.122,1156 15.319,1157 1.748,1158 4.541,1159 27.77,1160 2.505,1161 16.531,1162 20.947,1163 0.427,1164 33.282,1165 16.314,1166 13305,1167 20257,1168 21.266,1169 41.637,1170 47.104,1171 52.808,1172 47.152,1173 46.353,1174 46.343,1175 58.046,1176 20.714,1177 123.649,1178 43.973,1179 5.104,1180 6.313,1181 5.833,1182 4.961,1183 4.851,1184 6.804,1185 7.04,1186 15.124,1187 4.805,1188 15.625,1189 1.472,1190 1.65,1191 1.474,1192 1.449,1193 1.448,1194 1.814,1195 0.647,1196 3.864,1197 1.374,1198 3.991,1199 4.009,1200 4.063,1201 3.93,1202 5.045,1203 3.907,1204 3.929,1205 3.941,1206 3.955,1207 3.79,1208 5.024,1209 3.8,1210 3.899,1211 3.921,1212 3.848,1213 3.784,1214 4.722,1215 3.797,1216 3.548,1217 3.633,1218 3.674,1219 3.375,1220 4.278,1221 3.331,1222 3.546,1223 3.632,1224 3.563,1225 3.355,1226 4.266,1227 3.33,1228 3.266,1229 3.309,1230 3.349,1231 3.218,1232 3.891,1233 3.148,1234 3.264,1235 3.308,1236 3.348,1237 3.214,1238 3.839,1239 3.144,1240 2.972,1241 3.051,1242 2.813,1243 2.846,1244 3.622,1245 2.818,1246 0.131,1247 0.135,1248 0.192,1249 0.12,1250 0.089,1251 4.199,1252 0.119,1253 4.313,1254 0.11,1255 6.138,1256 0.282,1257 3.835,1258 0.088,1259 2.851,1260 3.804,1261 3.52,1262 9.034,1263 2.805,1264 1.933,1265 1.912,1266 2.033,1267 1.994,1268 1.25,1269 2.018,1270 1.647,1271 1.59,1272 1.869,1273 1.882,1274 1.034,1275 1.882,1276 1.647,1277 1.59,1278 1.867,1279 1.881,1280 1.033,1281 1.88,1282 1.559,1283 1.538,1284 1.693,1285 1.684,1286 0.977,1287 1.709,1288 1.546,1289 1.522,1290 1.691,1291 1.676,1292 0.916,1293 1.695,1294 1.312,1295 1.248,1296 1.541,1297 1.531,1298 0.693,1299 1.542,1300 1.31,1301 1.247,1302 1.54,1303 1.531,1304 0.673,1305 1.541,1306 1.17,1307 1.126,1308 1.417,1309 1.33,1310 0.608,1311 1.376,1312 4.174,1314 5.451,1315 3.045,1316 6.878,1317 5.283,1318 8.38,1319 7.248,1320 9.926,1322 8.224,1328 5.475,1331 3.81,1333 4.241,1340 37.749,1341 93.121,1342 177.121,1343 232.141,1344 256.141,1345 260.141,1346 260.141,1347 47.754,1348 7.335,1349 32.76,1350 83.36,1351 16,1352 12.204,1353 4.087,1354 3.17,1355 55.641,1356 151,1357 144,1358 0.171,1359 242.158,1360 412.1,1361 582.625,1362 18154,1364 21.347,1365 0.712,1366 0.667,1367 22.054,1368 20.022,1369 14.491,1370 0.453,1371 0.39,1372 10.228,1373 13.067,1374 9.504,1375 8.017,1376 15.491,1377 12.472,1378 13.016,1379 0.31,1380 0.237,1381 13.947,1382 9.937,1383 9.35,1384 0.191,1385 0.133,1386 10.537,1387 6.508,1388 8.025,1389 0.129,1390 0.082,1391 9.336,1392 5.075,1393 5.467,1394 0.087,1395 0.055,1396 6.779,1397 3.493,1398 0.281,1399 100.143,1400 0.217,1401 29.376,1402 0.435,1403 148,1404 386.482,1405 197.129,1406 412.69,1407 554.66,1408 390,1409 165,1410 369.105,1411 211.596,1412 399.424,1413 571.55,1414 365,1415 5.046}
{0 CHEMBL268499,1 1.465,2 16.571,3 5.651,4 31.936,5 125.963,6 6.637,7 0.345,8 4.197,9 4.327,10 3.739,11 3.734,12 5.087,13 3.628,14 4.781,15 4.999,16 3.974,17 4.098,18 5.558,19 3.945,20 4.934,21 5.151,22 3.945,23 4.176,24 5.684,25 3.971,26 5.08,27 5.386,28 3.921,29 4.196,30 5.686,31 3.944,32 4.863,33 5.094,34 3.771,35 4.075,36 5.603,37 3.873,38 4.896,39 5.167,40 3.669,41 4.07,42 5.519,43 3.812,44 4.733,45 4.991,46 3.74,47 3.982,48 5.362,49 3.715,50 4.789,51 5.08,52 3.473,53 3.918,54 5.361,55 3.649,56 0.069,57 0.892,58 17.382,59 7.024,60 10.7,61 9.221,62 0.274,63 1.431,64 36.447,65 11.859,66 20.807,67 14.987,68 0.478,69 1.529,70 40.674,71 14.159,72 29.669,73 17.807,74 0.266,75 1.68,76 46.186,77 16.296,78 27.451,79 20.618,80 0.385,81 1.387,82 37.838,83 12.996,84 28.378,85 16.042,86 0.283,87 1.465,88 40.3,89 13.626,90 21.857,91 17.511,92 0.203,93 1.266,94 36.115,95 12.82,96 17.115,97 15.318,98 0.271,99 1.277,100 38.542,101 12.705,102 18.365,103 15.443,104 25,105 36,106 0.239,107 0.438,108 0.635,109 0.665,110 0.675,111 0.675,112 3.372,113 1.287,114 -3.76,115 -3.73,116 -3.54,121 34.4,123 4,126 4,127 6,144 4,154 4,176 5,180 4,187 4,191 2,192 4,200 5,206 2,214 4,219 2,227 4,232 4,239 4,244 2,251 5,256 4,264 4,269 2,277 2,281 1452,282 18.69,283 18.69,284 18.69,285 18.69,286 18.69,287 17.502,288 23.523,289 11.877,290 19.324,291 14.416,292 14.416,293 14.416,294 14.416,295 14.416,296 12.572,297 29.993,298 5.806,299 15.36,300 4.535,301 3.313,302 2.11,303 1.922,304 1.86,305 1.86,306 4.041,312 1,313 952,314 4.472,317 203.446,325 2.633,326 11.873,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 59,338 464,339 4.124,340 4.249,341 5.675,342 3.75,343 2.763,344 3.735,345 3.272,346 7.971,347 2.728,348 4.124,349 4.249,350 5.675,351 3.75,352 2.763,353 3.735,354 3.272,355 7.971,356 2.728,357 3.371,358 2.997,359 5.03,360 3.179,361 2.245,362 2.508,363 0.916,364 6.084,365 2.098,366 3.37,367 2.996,368 5.029,369 3.177,370 2.243,371 2.507,372 0.916,373 6.084,374 2.097,375 2.951,376 2.693,377 4.338,378 2.866,379 1.916,380 1.972,381 0.172,382 4.347,383 1.825,384 2.918,385 2.687,386 4.338,387 2.703,388 1.793,389 1.954,390 0.172,391 4.343,392 1.632,393 2.848,394 2.252,395 3.904,396 2.665,397 1.71,398 1.868,400 3.781,401 1.619,402 2.602,403 2.242,404 3.652,405 2.442,406 1.521,407 1.606,409 3.225,410 1.374,411 2.275,412 1.767,413 3.335,414 2.013,415 1.165,416 1.243,418 2.453,419 0.959,420 2.21,421 1.718,422 3.278,423 1.771,424 0.805,425 1.085,427 1.827,428 0.769,429 2.147,430 1.554,431 3.242,432 1.72,433 0.729,434 1.032,436 1.723,437 0.72,438 1.744,439 0.789,440 2.923,441 1.52,442 0.618,443 0.697,445 1.375,446 0.545,447 1.262,448 0.759,449 2.581,450 1.106,451 0.188,452 0.2,454 0.413,455 0.168,456 0.883,457 0.729,458 2.401,459 0.721,460 -0.216,461 -0.232,463 -0.525,464 -0.197,465 0.805,466 0.051,467 2.314,468 0.627,469 -0.325,470 -0.358,472 -0.856,473 -0.308,474 14.133,475 0.505,476 0.561,477 0.02,478 25,479 0.893,480 8,481 0.286,482 17,483 0.607,484 32.324,485 1.154,486 33.267,487 0.52,488 13.382,489 0.478,490 3.936,491 0.141,492 9.589,493 0.342,494 0.142,496 0.198,501 0.917,502 1.478,503 0.875,504 1.152,505 0.921,506 1.185,507 1.361,508 1.034,509 1.316,510 1.157,511 0.901,512 1,513 1.389,514 1.165,515 1.177,516 1.198,517 1.552,518 1.242,519 0.572,520 0.902,521 0.863,522 0.918,523 0.485,524 0.832,525 1.931,526 0.971,527 1.269,528 1.046,529 1.871,530 1.068,531 0.815,532 1.124,533 1.228,534 1.228,535 0.988,536 1.145,537 0.802,538 1.1,539 1.059,540 1.113,541 0.926,542 1.133,543 0.926,544 0.974,545 1.391,546 1.208,547 0.869,548 0.974,549 5.5,550 0.09,551 1.111,552 1.514,553 0.65,554 0.647,555 0.234,556 0.175,557 0.137,558 0.109,559 12835,560 27933,561 1.976,562 56.3,563 4,564 28,569 4,572 1.696,573 1.867,574 3.99,575 -0.778,582 93.775,583 1.465,584 2.688,585 3.89,586 4.078,587 4.14,588 4.14,589 3.379,590 3.664,591 4.781,592 4.216,593 1593.76,594 8.235,595 25576.6,600 384,601 1.287,602 4.745,603 0.19,604 0.005,605 0.031,606 0.052,607 0.022,608 0.024,609 0.011,610 0.008,611 0.007,612 0.006,613 0.355,614 0.33,615 0.88,616 1.117,617 150.755,618 0.057,619 -0.223,620 0.097,621 -0.045,622 0.07,623 -0.037,624 -0.109,625 0.143,626 -0.087,627 -0.015,628 0.12,629 0.037,630 -0.001,631 -0.127,632 -0.123,633 -0.139,634 -0.213,635 -0.212,636 0.114,637 0.032,638 0.158,639 0.092,640 0.267,641 0.15,642 -0.297,643 0.039,644 -0.168,645 0.012,646 -0.343,647 -0.066,648 -0.044,649 -0.115,650 -0.119,651 -0.137,652 -0.156,653 -0.125,654 -0.028,655 -0.088,656 0.042,657 -0.005,658 -0.084,659 -0.091,660 -0.066,661 0.024,662 -0.124,663 -0.046,664 -0.039,665 0.033,666 0.625,667 2.348,668 0.357,669 35.837,670 0.985,671 1.13,672 2.534,673 6.423,674 0.643,675 3.401,676 3.611,677 3.689,678 3.892,679 3.829,680 3.85,681 3.829,682 3.611,683 3.584,684 3.555,685 9.842,686 0.575,687 424.74,688 3.401,689 4.875,690 5.638,691 6.454,692 7.236,693 8.059,694 8.853,695 9.678,696 10.48,697 11.307,698 3.1,701 2,715 4,718 2,720 4,722 10,741 64,743 10,745 29,747 65,748 22,749 8,756 2,757 2,770 4,772 8,773 14,792 2,793 36,794 4,796 6,797 2,802 2,808 1,809 2,828 2,855 2,859 2,860 2,862 2,864 4,868 28,876 10,879 2,881 2,893 3.1,898 2,901 15,902 12.4,903 6.417,904 3.806,907 1.488,908 1.221,909 0.921,910 11.618,911 8.205,912 3.555,913 3.98,914 4.353,915 4.845,916 4.822,917 4.902,918 4.943,919 4.593,920 4.582,921 4.572,922 0.909,923 29,924 10.395,926 4.025,927 0.026,929 7.369,931 20.881,933 16.277,936 1.869,937 52.333,941 423.76,942 175.673,943 6.249,945 19.015,947 64.439,948 111.234,949 442.774,950 6.249,951 33.586,952 17.948,953 37.905,955 25.263,956 21.795,957 488.199,959 423.76,960 117.483,961 19.015,962 64.439,964 376.675,965 66.099,968 24.197,969 93.286,971 64.439,972 423.76,973 25.263,974 175.673,977 423.76,978 104.183,979 77.739,981 19.015,982 423.76,983 25.263,984 175.673,986 0.551,987 0.275,988 0.152,989 0.074,990 12,991 6,992 0.231,993 15,995 1,996 4.354,997 194.546,999 10,1000 102.606,1001 2,1005 23.782,1006 13.678,1007 10.753,1009 25.263,1010 8.426,1013 11.696,1015 4.318,1018 624.696,1019 34,1031 63.032,1032 72.314,1034 0.244,1035 0.448,1036 0.648,1037 0.68,1038 0.69,1039 0.69,1040 4.741,1041 1.521,1042 5.557,1043 3.781,1044 4.29,1045 4.663,1046 3.847,1047 6.192,1048 4.188,1049 5.851,1050 1.165,1051 6.997,1052 3.225,1053 3.611,1054 4.205,1055 0.57,1056 6.676,1057 3.519,1058 7.077,1059 0.805,1060 8.526,1061 2.453,1062 5.707,1063 6.624,1064 6.135,1065 9.709,1066 5.549,1067 8.337,1068 0.729,1069 10.108,1070 1.827,1071 5.832,1072 7.09,1073 0.674,1074 11.046,1075 5.709,1076 9.634,1077 0.618,1078 11.725,1079 1.723,1080 7.361,1081 8.916,1082 8.5,1083 13.525,1084 7.179,1085 10.957,1086 0.188,1087 13.367,1088 1.375,1089 7.897,1090 9.825,1091 0.66,1092 15.246,1093 7.753,1094 12.301,1095 -0.216,1096 15.027,1097 0.413,1098 9.163,1099 11.384,1100 10.87,1101 17.499,1102 8.972,1103 2.763,1104 -0.325,1105 16.701,1106 -0.525,1107 9.922,1108 12.507,1109 0.611,1110 19.404,1111 9.762,1112 2.763,1113 7.971,1114 18.385,1115 -0.856,1116 11.058,1117 13.94,1118 13.241,1119 21.558,1120 10.863,1121 2.245,1122 7.971,1123 20.078,1124 3.735,1125 11.938,1126 15.165,1127 0.55,1128 23.551,1129 11.762,1130 2.243,1131 6.084,1132 21.778,1133 3.735,1134 13.01,1135 16.538,1136 15.613,1137 25.661,1138 12.808,1139 1.916,1140 6.084,1141 23.482,1142 2.508,1143 13.954,1144 17.811,1145 0.487,1146 27.696,1147 13.761,1148 1.793,1149 4.347,1150 25.191,1151 2.507,1152 14.996,1153 19.156,1154 17.984,1155 29.786,1156 14.783,1157 1.71,1158 4.343,1159 26.904,1160 1.972,1161 15.973,1162 20.452,1163 0.427,1164 31.842,1165 15.762,1166 12776,1167 18968,1168 19.068,1169 41.16,1170 41.409,1171 47.023,1172 41.45,1173 40.938,1174 40.918,1175 48.281,1176 17.445,1177 103.195,1178 38.523,1179 5.086,1180 6.023,1181 5.6,1182 4.86,1183 4.763,1184 6.346,1185 6.545,1186 13.548,1187 4.617,1188 15.21,1189 1.428,1190 1.621,1191 1.429,1192 1.412,1193 1.411,1194 1.665,1195 0.602,1196 3.558,1197 1.328,1198 3.967,1199 3.984,1200 4.009,1201 3.836,1202 5.044,1203 3.836,1204 3.93,1205 3.942,1206 3.966,1207 3.793,1208 5.024,1209 3.801,1210 3.737,1211 3.797,1212 3.745,1213 3.636,1214 4.278,1215 3.603,1216 3.555,1217 3.638,1218 3.707,1219 3.45,1220 4.267,1221 3.373,1222 3.546,1223 3.632,1224 3.421,1225 3.33,1226 4.168,1227 3.322,1228 3.438,1229 3.5,1230 3.357,1231 3.272,1232 3.916,1233 3.262,1234 3.17,1235 3.226,1236 3.299,1237 3.127,1238 3.674,1239 3.033,1240 3.032,1241 3.11,1242 2.904,1243 2.909,1244 3.62,1245 2.862,1246 0.142,1247 0.147,1248 0.196,1249 0.129,1250 0.095,1251 4.124,1252 0.129,1253 4.249,1254 0.113,1255 5.675,1256 0.275,1257 3.75,1258 0.094,1259 2.763,1260 3.735,1261 3.272,1262 7.971,1263 2.728,1264 1.766,1265 1.714,1266 1.995,1267 1.908,1268 1.373,1269 1.952,1270 1.647,1271 1.592,1272 1.869,1273 1.881,1274 1.118,1275 1.882,1276 1.647,1277 1.589,1278 1.867,1279 1.881,1280 1.034,1281 1.88,1282 1.591,1283 1.565,1284 1.736,1285 1.71,1286 1.032,1287 1.753,1288 1.531,1289 1.501,1290 1.689,1291 1.67,1292 0.943,1293 1.688,1294 1.403,1295 1.341,1296 1.655,1297 1.565,1298 0.863,1299 1.601,1300 1.299,1301 1.236,1302 1.535,1303 1.53,1304 0.679,1305 1.539,1306 1.273,1307 1.213,1308 1.524,1309 1.526,1310 0.658,1311 1.527,1312 4.078,1314 5.313,1315 3.045,1316 6.681,1317 5.283,1318 8.118,1319 7.248,1320 9.602,1322 8.257,1328 11.413,1331 3.964,1333 4.26,1340 36.802,1341 93.775,1342 172,1343 248.98,1344 260.98,1345 264.98,1346 264.98,1347 54.339,1348 6.718,1349 32.76,1350 83.36,1351 10,1352 11.889,1353 3.459,1354 2.585,1355 62.992,1356 170,1357 128,1358 0.172,1359 239.149,1360 408.68,1361 575.282,1362 8786,1364 20.192,1365 0.721,1366 0.698,1367 20.899,1368 19.541,1369 13.525,1370 0.466,1371 0.429,1372 10.194,1373 12.052,1374 9.505,1375 8.033,1376 14.525,1377 12.437,1378 11.755,1379 0.327,1380 0.276,1381 12.751,1382 9.941,1383 7.884,1384 0.202,1385 0.162,1386 8.996,1387 6.327,1388 6.57,1389 0.137,1390 0.098,1391 7.618,1392 4.718,1393 4.206,1394 0.093,1395 0.071,1396 5.198,1397 3.176,1398 0.297,1399 94.345,1400 0.229,1401 28.648,1402 0.411,1403 130,1404 334.482,1405 179.129,1406 357.34,1407 474.06,1408 338,1409 140,1410 306.105,1411 183.255,1412 330.949,1413 470.44,1414 302,1415 6.131}
{0 CHEMBL269863,1 1.619,2 12.296,3 2.672,4 7.137,5 101.838,6 7.303,7 0.379,8 4.028,9 4.152,10 3.566,11 3.507,12 5.133,13 3.49,14 4.59,15 4.765,16 3.88,17 3.905,18 5.804,19 3.849,20 4.86,21 5.107,22 3.896,23 4.032,24 5.772,25 3.947,26 4.851,27 5.083,28 3.861,29 4.002,30 5.891,31 3.917,32 4.819,33 5.047,34 3.774,35 4.009,36 5.776,37 3.9,38 4.861,39 5.102,40 3.715,41 3.995,42 5.983,43 3.849,44 4.854,45 5.143,46 3.457,47 3.874,48 5.626,49 3.693,50 4.706,51 5.008,52 3.36,53 3.633,54 5.572,55 3.483,56 0.197,57 0.752,58 10.961,59 4.595,60 10.857,61 6.252,62 0.532,63 1.175,64 21.137,65 7.782,66 70.863,67 11.054,68 0.442,69 1.424,70 29.742,71 9.357,72 53.68,73 14.284,74 0.693,75 1.395,76 29.646,77 8.898,78 78.02,79 13.295,80 0.495,81 1.352,82 28.112,83 9.568,84 57.283,85 13.873,86 0.672,87 1.336,88 29.89,89 10.42,90 108.314,91 15.378,92 0.435,93 1.241,94 30.972,95 9.977,96 57.744,97 15.389,98 0.542,99 1.016,100 27.752,101 7.689,102 61.472,103 12.21,104 20,105 38,106 0.272,107 0.596,108 0.76,109 0.856,110 0.889,111 0.889,112 3.339,113 0.965,114 -3.44,115 -3.42,116 -3.27,121 37.3,123 6,127 3,144 4,145 2,146 1,148 2,160 1,168 3,176 8,179 3,180 6,183 1,185 5,187 9,192 5,197 2,200 6,205 1,206 5,209 2,210 1,211 4,214 9,218 1,222 1,224 2,227 10,231 2,232 2,235 3,237 3,239 10,244 1,249 2,251 4,256 4,259 2,261 4,264 2,269 2,272 1,274 2,277 2,281 1257,282 18.38,283 18.38,284 18.38,285 18.38,286 18.38,287 16.548,288 19.736,289 11.382,290 18.587,291 14.369,292 14.369,293 14.369,294 14.369,295 14.369,296 11.484,297 21.442,298 5.456,299 14.686,300 4.054,301 2.129,302 1.157,303 0.588,304 0.392,305 0.392,306 4.027,310 1,311 1,312 1,313 708,314 4.062,318 186.852,322 214.914,325 1.819,326 29.206,328 1,329 1,330 1,331 0.83,332 1,333 0.5,334 1,335 1,336 0.9,337 60,338 332,339 4.64,340 4.674,341 6.829,342 4.207,343 3.226,344 4.564,345 4.929,346 11.348,347 3.162,348 3.914,349 3.575,350 5.982,351 3.524,352 2.532,353 3.437,354 1.907,355 8.37,356 2.512,357 3.834,358 3.361,359 5.381,360 3.4,361 2.401,362 3.334,363 0.4,364 6.711,365 2.386,366 3.647,367 2.669,368 5.04,369 3.171,370 2.191,371 2.893,372 0.341,373 6.106,374 2.147,375 3.521,376 2.356,377 4.642,378 3.13,379 2.17,380 2.823,381 0.149,382 5.136,383 2.075,384 2.939,385 2.153,386 4.116,387 2.621,388 1.645,389 2.142,391 3.556,392 1.602,393 2.716,394 1.86,395 3.961,396 2.505,397 1.514,398 1.737,400 3.329,401 1.499,402 2.569,403 1.601,404 3.683,405 2.345,406 1.347,407 1.583,409 3.192,410 1.343,411 2.486,412 1.451,413 3.594,414 2.242,415 1.247,416 1.485,418 2.902,419 1.24,420 2.254,421 1.35,422 3.507,423 2.079,424 1.138,425 1.211,427 2.507,428 1.064,429 2.084,430 1.319,431 3.205,432 1.883,433 0.918,434 1.022,436 2.022,437 0.877,438 1.747,439 1.267,440 2.913,441 1.516,442 0.547,443 0.628,445 1.213,446 0.527,447 1.326,448 1,449 2.755,450 1.018,451 0.067,452 0.079,454 0.165,455 0.064,456 1,457 0.816,458 2.404,459 0.718,460 -0.245,461 -0.28,463 -0.566,464 -0.233,465 1,466 0.418,467 2.337,468 0.564,469 -0.437,470 -0.528,472 -0.984,473 -0.433,474 12.433,475 0.46,476 0.524,477 0.019,478 32.25,479 1.194,480 15,481 0.556,482 17.25,483 0.639,484 23.068,485 0.854,486 30.767,487 0.603,488 22.98,489 0.851,490 6.157,491 0.228,492 6.991,493 0.259,494 0.08,496 0.273,501 0.484,502 1.257,503 0.781,504 1.129,505 0.481,506 1.034,507 0.49,508 1.235,509 0.892,510 1.148,511 0.332,512 1.111,513 0.734,514 1.058,515 0.863,516 0.932,517 0.58,518 0.915,519 0.889,520 0.92,521 1.082,522 0.931,523 0.91,524 1.017,525 0.802,526 1.014,527 1.103,528 1.1,529 0.806,530 1.152,531 0.454,532 1.09,533 1.027,534 1.214,535 0.388,536 1.245,537 0.576,538 1.053,539 0.939,540 1.106,541 0.493,542 1.104,543 0.75,544 0.812,545 0.859,546 0.83,547 0.695,548 0.858,549 4,550 0.107,551 2.444,552 1.563,553 1.28,554 0.604,555 0.3,556 0.161,557 0.172,558 0.196,559 9505,560 29565,561 2.057,562 47.1,563 6,564 10,567 2,568 4,570 2,572 1.696,573 1.952,574 3.503,575 0.304,576 1,577 1,582 82.544,583 1.619,584 3.544,585 4.515,586 5.084,587 5.28,588 5.28,589 2.88,590 4.134,591 4.722,592 3.764,593 1321.19,594 8.174,595 18048.4,597 1,599 1,600 289.294,601 1.277,602 4.698,603 0.138,604 0.005,605 0.064,606 0.04,607 0.036,608 0.018,609 0.01,610 0.007,611 0.009,612 0.009,613 0.337,614 0.33,615 1,616 2.289,617 137.025,618 0.195,619 0.055,620 0.057,621 0.043,622 0.033,623 0.016,624 0.28,625 -0.09,626 0.001,627 -0.048,628 0.273,629 -0.078,630 -0.052,631 -0.024,632 0.07,633 0.074,634 -0.021,635 0.097,636 -0.034,637 0.145,638 -0.129,639 0.044,640 -0.079,641 -0.045,642 -0.07,643 0.039,644 -0.181,645 -0.067,646 -0.086,647 -0.136,648 0.229,649 -0.102,650 -0.103,651 -0.173,652 0.265,653 -0.208,654 0.028,655 -0.156,656 0.008,657 -0.112,658 0.017,659 -0.066,660 0.038,661 0.053,662 0.142,663 0.087,664 0.006,665 0.13,666 2.892,667 4.582,668 0.519,669 27.835,670 1.011,671 1.137,672 2.214,673 4.9,674 0.636,675 3.401,676 3.664,677 3.892,678 4.159,679 4.419,680 4.489,681 4.585,682 4.682,683 4.745,684 4.605,685 7.384,686 0.612,687 372.47,688 3.401,689 4.905,690 5.727,691 6.583,692 7.435,693 8.308,694 9.177,695 10.06,696 10.94,697 11.83,698 7.8,703 1,705 1,708 1,710 1,714 2,715 4,716 1,720 3,722 11,734 1,741 51,743 14,744 1,745 29,747 53,748 19,749 9,750 2,751 4,756 3,757 6,767 4,770 6,772 10,773 9,777 3,779 1,782 3,786 1,789 1,790 1,793 24,794 7,795 2,796 8,802 4,808 0.333,809 4,822 1,829 3,833 2,843 1,859 1,868 27,876 9,877 2,878 1,893 7.8,896 1,897 1,899 2,901 13.833,902 8.9,903 6.111,904 3.325,907 2.553,908 1.348,909 0.952,910 6.964,911 9.884,912 3.651,913 4.197,914 4.687,915 5.279,916 5.876,917 6.211,918 6.57,919 6.913,920 7.213,921 7.035,922 0.875,923 39,924 9.985,926 4.159,927 0.026,929 7.944,931 19.042,933 15.442,936 2.444,937 66,940 1,941 258.964,942 80.037,943 61.091,945 87.111,948 80.037,949 346.075,950 61.091,951 8.284,952 42.022,953 37.905,954 75.865,955 13.416,957 258.964,958 50.747,959 258.964,960 141.128,961 87.111,964 235.422,965 48.687,966 61.966,968 46.923,969 59.409,970 34.796,972 258.964,973 148.202,974 80.037,977 258.964,978 42.132,979 46.189,980 36.022,981 103.896,982 258.964,983 148.202,984 80.037,986 0.561,987 0.309,988 0.171,989 0.097,990 16,991 7,992 0.17,993 9,994 2,995 1.286,996 4.002,997 214.403,998 0.286,999 14,1000 126.382,1005 19.526,1006 9.629,1007 5.376,1008 2.152,1009 139.918,1010 8.17,1011 4.828,1015 3.684,1017 36.022,1018 487.203,1019 37.5,1021 -0.892,1024 31.68,1028 -0.247,1031 51.552,1032 57.983,1034 0.285,1035 0.625,1036 0.796,1037 0.896,1038 0.931,1039 0.931,1040 4.858,1041 1.347,1042 5.673,1043 3.329,1044 4.344,1045 4.883,1046 3.839,1047 6.438,1048 4.302,1049 6.031,1050 1.247,1051 7.194,1052 3.192,1053 3.761,1054 4.771,1055 4.403,1056 7.298,1057 3.73,1058 7.326,1059 1.138,1060 8.825,1061 2.902,1062 5.866,1063 7.082,1064 6.605,1065 10.442,1066 5.785,1067 8.662,1068 0.918,1069 10.529,1070 2.507,1071 6.155,1072 7.834,1073 7.833,1074 12.237,1075 6.078,1076 10.036,1077 0.547,1078 12.283,1079 2.022,1080 7.699,1081 9.647,1082 9.66,1083 14.904,1084 7.584,1085 11.437,1086 0.067,1087 14.073,1088 1.213,1089 8.435,1090 10.798,1091 11.107,1092 17.074,1093 8.313,1094 12.86,1095 -0.245,1096 15.89,1097 0.165,1098 9.741,1099 12.426,1100 12.799,1101 19.585,1102 9.59,1103 3.226,1104 -0.437,1105 17.727,1106 -0.566,1107 10.705,1108 13.77,1109 14.33,1110 21.906,1111 10.539,1112 2.532,1113 11.348,1114 19.58,1115 -0.984,1116 11.916,1117 15.327,1118 15.968,1119 24.363,1120 11.725,1121 2.401,1122 8.37,1123 21.445,1124 4.564,1125 12.99,1126 16.763,1127 17.535,1128 26.745,1129 12.78,1130 2.191,1131 6.711,1132 23.319,1133 3.437,1134 14.167,1135 18.293,1136 19.148,1137 29.184,1138 13.934,1139 2.17,1140 6.106,1141 25.201,1142 3.334,1143 15.293,1144 19.772,1145 20.731,1146 31.592,1147 15.039,1148 1.645,1149 5.136,1150 27.09,1151 2.893,1152 16.461,1153 21.293,1154 22.334,1155 34.024,1156 16.185,1157 1.514,1158 3.556,1159 28.984,1160 2.823,1161 17.61,1162 22.793,1163 23.924,1164 36.444,1165 17.313,1166 9348,1167 16704,1168 19.474,1169 32.455,1170 41.738,1171 45.288,1172 43.082,1173 41.817,1174 41.89,1175 53.878,1176 15.453,1177 113.112,1178 40.994,1179 5.597,1180 6.674,1181 6.597,1182 5.247,1183 5.226,1184 7.564,1185 8.199,1186 18.879,1187 5.162,1188 12.402,1189 1.439,1190 1.562,1191 1.486,1192 1.442,1193 1.444,1194 1.858,1195 0.533,1196 3.9,1197 1.414,1198 4.112,1199 4.143,1200 4.073,1201 4.04,1202 7.823,1203 4.044,1204 3.789,1205 3.828,1206 3.734,1207 3.651,1208 7.429,1209 3.637,1210 3.732,1211 3.78,1212 3.619,1213 3.545,1214 6.999,1215 3.559,1216 3.663,1217 3.709,1218 3.577,1219 3.382,1220 4.972,1221 3.392,1222 3.488,1223 3.534,1224 3.373,1225 3.152,1226 4.414,1227 3.166,1228 3.269,1229 3.334,1230 3.132,1231 2.984,1232 4.378,1233 3.096,1234 3.145,1235 3.224,1236 3.016,1237 2.952,1238 4.266,1239 2.966,1240 3.035,1241 3.126,1242 2.847,1243 2.774,1244 4.047,1245 2.774,1246 0.16,1247 0.161,1248 0.235,1249 0.145,1250 0.111,1251 4.64,1252 0.157,1253 4.674,1254 0.17,1255 6.829,1256 0.391,1257 4.207,1258 0.109,1259 3.226,1260 4.564,1261 4.929,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.158,1267 2.163,1268 1.435,1269 2.163,1270 1.754,1271 1.709,1272 1.95,1273 1.965,1274 1.219,1275 1.924,1276 1.687,1277 1.627,1278 1.915,1279 1.874,1280 1.135,1281 1.901,1282 1.543,1283 1.487,1284 1.783,1285 1.867,1286 1.042,1287 1.814,1288 1.284,1289 1.23,1290 1.501,1291 1.682,1292 0.758,1293 1.611,1294 1.165,1295 1.14,1296 1.439,1297 1.458,1298 0.644,1299 1.465,1300 1.131,1301 1.058,1302 1.344,1303 1.351,1304 0.529,1305 1.381,1306 0.988,1307 0.899,1308 1.186,1309 1.289,1310 0.248,1311 1.308,1312 4.078,1314 5.352,1316 6.828,1318 8.415,1320 10.074,1328 6.2,1329 6.291,1330 4.135,1340 31.213,1341 82.544,1342 180.725,1343 230.274,1344 259.294,1345 269.294,1346 269.294,1347 50.989,1348 7.331,1349 109.07,1350 109.07,1351 18,1352 12.362,1353 3.907,1354 3.248,1355 47.362,1356 117,1357 133,1358 0.191,1359 193.515,1360 339.06,1361 463.937,1362 16122,1364 19.062,1365 0.706,1366 0.563,1367 19.062,1368 15.201,1369 13.148,1370 0.453,1371 0.322,1372 9.19,1373 12.487,1374 9.072,1375 7.485,1376 13.148,1377 9.333,1378 11.384,1379 0.3,1380 0.173,1381 11.384,1382 6.573,1383 8.854,1384 0.184,1385 0.097,1386 8.854,1387 4.673,1388 7.388,1389 0.117,1390 0.054,1391 7.388,1392 3.405,1393 6.13,1394 0.075,1395 0.031,1396 6.13,1397 2.535,1398 0.31,1399 83.625,1400 0.227,1401 26.539,1402 0.497,1403 134,1404 452.898,1405 151.538,1406 425.322,1407 562.91,1408 394,1409 153,1410 409.586,1411 168.19,1412 400.772,1413 577.53,1414 377,1415 7.032}
{0 CHEMBL269865,1 1.644,2 11.5,3 2.637,4 6.952,5 97.288,6 7.467,7 0.393,8 3.975,9 4.096,10 3.532,11 3.453,12 5.102,13 3.443,14 4.531,15 4.7,16 3.852,17 3.85,18 5.776,19 3.803,20 4.792,21 5.033,22 3.877,23 3.982,24 5.769,25 3.901,26 4.788,27 5.021,28 3.822,29 3.955,30 5.795,31 3.872,32 4.761,33 4.981,34 3.789,35 3.952,36 5.949,37 3.854,38 4.792,39 5.034,40 3.584,41 3.946,42 5.664,43 3.796,44 4.808,45 5.09,46 3.422,47 3.819,48 5.639,49 3.645,50 4.622,51 4.92,52 3.308,53 3.56,54 5.503,55 3.415,56 0.203,57 0.713,58 10.02,59 4.256,60 11,61 5.717,62 0.541,63 1.112,64 19.479,65 7.212,66 70.226,67 10.127,68 0.55,69 1.35,70 27.482,71 8.753,72 60.882,73 13.299,74 0.585,75 1.326,76 27.397,77 8.672,78 63.333,79 12.69,80 0.672,81 1.279,82 26.283,83 8.758,84 102.725,85 12.796,86 0.452,87 1.267,88 27.473,89 9.849,90 57.048,91 14.328,92 0.54,93 1.173,94 29.909,95 9.443,96 67.74,97 14.426,98 0.492,99 0.943,100 25.562,101 7.283,102 59.733,103 11.379,104 19,105 37,106 0.28,107 0.615,108 0.769,109 0.852,110 0.888,111 0.888,112 3.303,113 0.946,114 -3.21,115 -3.2,116 -3.07,121 37.5,123 5,127 3,144 4,145 2,146 1,148 2,160 1,168 3,176 8,179 3,180 4,183 1,185 4,187 9,191 1,192 4,195 1,197 2,200 6,205 1,206 3,209 2,210 1,211 4,214 8,218 2,219 1,222 2,224 2,227 10,232 2,235 1,237 2,239 10,244 2,247 1,249 2,251 4,256 2,259 2,261 4,269 4,272 2,274 2,281 1140,282 17.673,283 17.673,284 17.673,285 17.673,286 17.673,287 15.841,288 18.804,289 10.895,290 17.86,291 13.869,292 13.869,293 13.869,294 13.869,295 13.869,296 10.984,297 20.64,298 5.225,299 14.176,300 3.941,301 1.974,302 1.073,303 0.583,304 0.375,305 0.375,306 3.99,310 1,311 1,312 1,313 638,314 3.937,318 175.151,322 201.422,325 1.654,326 28.112,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 58,338 299,339 4.64,340 4.679,341 6.829,342 4.207,343 3.226,344 4.564,345 4.935,346 11.348,347 3.162,348 3.914,349 3.579,350 5.982,351 3.524,352 2.532,353 3.437,354 2.008,355 8.37,356 2.512,357 3.856,358 3.361,359 5.381,360 3.416,361 2.43,362 3.343,363 0.521,364 6.711,365 2.382,366 3.607,367 2.669,368 5.069,369 3.136,370 2.181,371 2.893,372 0.4,373 6.181,374 2.092,375 3.521,376 2.356,377 4.577,378 3.092,379 2.099,380 2.796,381 0.075,382 4.971,383 2.069,384 2.939,385 2.087,386 4.116,387 2.608,388 1.63,389 2.142,391 3.545,392 1.59,393 2.712,394 1.858,395 3.96,396 2.503,397 1.512,398 1.734,400 3.329,401 1.497,402 2.567,403 1.601,404 3.674,405 2.345,406 1.347,407 1.579,409 3.178,410 1.343,411 2.486,412 1.451,413 3.594,414 2.242,415 1.247,416 1.485,418 2.902,419 1.24,420 2.12,421 1.35,422 3.486,423 1.989,424 1.038,425 1.098,427 2.39,428 0.984,429 1.821,430 1.318,431 3.061,432 1.595,433 0.65,434 0.729,436 1.472,437 0.61,438 1.695,439 1.01,440 2.855,441 1.335,442 0.394,443 0.471,445 0.845,446 0.365,447 1.323,448 1,449 2.596,450 0.99,451 0.027,452 0.033,454 0.066,455 0.026,456 1,457 0.801,458 2.404,459 0.585,460 -0.389,461 -0.452,463 -0.919,464 -0.376,465 0.919,466 0.289,467 2.137,468 0.538,469 -0.445,470 -0.568,472 -1.091,473 -0.436,474 11.933,475 0.459,476 0.524,477 0.02,478 31.75,479 1.221,480 15,481 0.577,482 16.75,483 0.644,484 21.362,485 0.822,486 29.467,487 0.614,488 22.645,489 0.871,490 6.132,491 0.236,492 6.515,493 0.251,494 0.084,496 0.285,501 0.485,502 1.244,503 0.758,504 1.108,505 0.483,506 1.012,507 0.494,508 1.222,509 0.874,510 1.127,511 0.333,512 1.091,513 0.584,514 1.036,515 0.843,516 0.931,517 0.526,518 0.93,519 0.813,520 0.924,521 1.026,522 0.965,523 0.8,524 1.024,525 0.622,526 1.013,527 1.056,528 1.08,529 0.457,530 1.143,531 0.622,532 1.117,533 1.107,534 1.252,535 0.57,536 1.289,537 0.639,538 1,539 0.982,540 1.079,541 0.621,542 1.109,543 0.706,544 0.83,545 0.841,546 0.884,547 0.7,548 0.89,549 4,550 0.107,551 2.444,552 1.438,553 1.44,554 0.493,555 0.3,556 0.161,557 0.172,558 0.176,559 8340,560 26714,561 2.059,562 45.8,563 6,564 10,567 2,568 2,570 2,572 1.687,573 1.95,574 3.421,575 0.327,576 1,577 1,582 78.912,583 1.644,584 3.611,585 4.512,586 5.002,587 5.21,588 5.21,589 2.811,590 4.056,591 4.668,592 3.668,593 1191.98,594 8.072,595 15619.2,597 1,599 1,600 268.078,601 1.3,602 4.642,603 0.143,604 0.005,605 0.066,606 0.038,607 0.041,608 0.015,609 0.012,610 0.008,611 0.009,612 0.009,613 0.345,614 0.33,615 1,616 2.167,617 129.505,618 0.191,619 0.057,620 0.056,621 0.047,622 0.029,623 0.017,624 0.279,625 -0.081,626 0.007,627 -0.034,628 0.273,629 -0.069,630 0.073,631 0.007,632 0.082,633 0.078,634 0.033,635 0.085,636 -0.045,637 0.131,638 -0.089,639 0.025,640 -0.076,641 -0.034,642 0.124,643 0.043,644 -0.136,645 -0.056,646 0.224,647 -0.135,648 -0.009,649 -0.13,650 -0.197,651 -0.199,652 -0.023,653 -0.238,654 0.03,655 -0.114,656 -0.016,657 -0.089,658 -0.009,659 -0.071,660 0.046,661 0.03,662 0.164,663 0.05,664 0.008,665 0.12,666 2.973,667 4.378,668 0.538,669 25.373,670 1.014,671 1.137,672 1.981,673 3.925,674 0.639,675 3.367,676 3.638,677 3.871,678 4.143,679 4.419,680 4.454,681 4.575,682 4.673,683 4.736,684 4.595,685 6.958,686 0.618,687 358.44,688 3.367,689 4.875,690 5.7,691 6.561,692 7.418,693 8.292,694 9.165,695 10.049,696 10.933,697 11.823,698 8.3,703 1,705 1,708 1,710 1,714 2,715 4,716 1,720 3,722 11,734 1,741 48,743 14,744 1,745 28,747 50,748 18,749 9,750 2,751 4,756 3,757 6,767 4,770 5,772 10,773 8,777 3,779 1,782 3,786 1,789 1,790 1,793 22,794 7,795 2,796 8,802 4,808 0.333,809 4,822 1,829 3,833 2,843 1,859 1,868 26,876 8,877 2,878 1,893 8.3,896 1,897 1,899 2,901 13.333,902 8.4,903 5.861,904 3.075,907 2.564,908 1.352,909 0.955,910 6.368,911 9.838,912 3.624,913 4.182,914 4.677,915 5.274,916 5.89,917 6.193,918 6.568,919 6.912,920 7.212,921 7.034,922 1,923 38,924 9.605,926 4.017,927 0.026,929 7.981,931 18.226,933 14.775,936 2.481,937 64.5,940 1,941 235.422,942 77.502,943 61.091,945 87.111,948 77.502,949 322.533,950 61.091,951 8.284,952 39.487,953 37.905,954 75.865,955 13.416,957 235.422,958 50.747,959 235.422,960 138.594,961 87.111,964 211.88,965 48.687,966 61.966,968 44.388,969 59.409,970 34.796,972 235.422,973 148.202,974 77.502,977 235.422,978 39.597,979 46.189,980 36.022,981 103.896,982 235.422,983 148.202,984 77.502,986 0.563,987 0.312,988 0.173,989 0.104,990 16,991 7,992 0.16,993 8,994 2,995 1.286,996 3.882,997 205.943,998 0.286,999 14,1000 120.211,1005 18.554,1006 8.924,1007 4.909,1008 2.123,1009 139.918,1010 8.123,1011 4.813,1015 3.634,1017 36.022,1018 461.126,1019 36.5,1021 -0.973,1024 31.477,1028 -0.492,1031 48.669,1032 54.568,1034 0.294,1035 0.647,1036 0.808,1037 0.896,1038 0.933,1039 0.933,1040 4.834,1041 1.347,1042 5.652,1043 3.329,1044 4.317,1045 4.868,1046 3.864,1047 6.425,1048 4.274,1049 6.014,1050 1.247,1051 7.179,1052 3.178,1053 3.761,1054 4.771,1055 4.403,1056 7.298,1057 3.73,1058 7.314,1059 1.038,1060 8.815,1061 2.902,1062 5.849,1063 7.077,1064 6.621,1065 10.44,1066 5.764,1067 8.653,1068 0.65,1069 10.522,1070 2.39,1071 6.155,1072 7.834,1073 7.835,1074 12.237,1075 6.074,1076 10.03,1077 0.394,1078 12.278,1079 1.472,1080 7.69,1081 9.646,1082 9.673,1083 14.904,1084 7.568,1085 11.433,1086 0.027,1087 14.07,1088 0.845,1089 8.435,1090 10.798,1091 11.112,1092 17.074,1093 8.307,1094 12.857,1095 -0.389,1096 15.888,1097 0.066,1098 9.737,1099 12.426,1100 12.811,1101 19.585,1102 9.579,1103 3.226,1104 -0.445,1105 17.726,1106 -0.919,1107 10.706,1108 13.77,1109 14.339,1110 21.906,1111 10.534,1112 2.532,1113 11.348,1114 19.579,1115 -1.091,1116 11.915,1117 15.327,1118 15.981,1119 24.363,1120 11.719,1121 2.43,1122 8.37,1123 21.445,1124 4.564,1125 12.991,1126 16.763,1127 17.547,1128 26.745,1129 12.776,1130 2.181,1131 6.711,1132 23.319,1133 3.437,1134 14.168,1135 18.293,1136 19.163,1137 29.184,1138 13.931,1139 2.099,1140 6.181,1141 25.202,1142 3.343,1143 15.294,1144 19.772,1145 20.746,1146 31.592,1147 15.037,1148 1.63,1149 4.971,1150 27.09,1151 2.893,1152 16.462,1153 21.293,1154 22.351,1155 34.025,1156 16.183,1157 1.512,1158 3.545,1159 28.984,1160 2.796,1161 17.611,1162 22.793,1163 23.942,1164 36.444,1165 17.312,1166 8213,1167 14931,1168 18.781,1169 30.693,1170 40.51,1171 44.138,1172 41.74,1173 40.522,1174 40.626,1175 52.606,1176 15.878,1177 110.615,1178 39.742,1179 5.593,1180 6.679,1181 6.596,1182 5.247,1183 5.226,1184 7.564,1185 8.238,1186 18.879,1187 5.162,1188 12.028,1189 1.447,1190 1.576,1191 1.491,1192 1.447,1193 1.451,1194 1.879,1195 0.567,1196 3.951,1197 1.419,1198 4.112,1199 4.143,1200 4.073,1201 4.04,1202 7.823,1203 4.044,1204 3.777,1205 3.813,1206 3.737,1207 3.651,1208 7.429,1209 3.637,1210 3.732,1211 3.78,1212 3.618,1213 3.516,1214 6.999,1215 3.529,1216 3.643,1217 3.689,1218 3.541,1219 3.292,1220 4.972,1221 3.338,1222 3.418,1223 3.468,1224 3.327,1225 3.137,1226 4.414,1227 3.147,1228 3.24,1229 3.293,1230 3.112,1231 2.971,1232 4.349,1233 3.033,1234 3.134,1235 3.211,1236 3.003,1237 2.89,1238 4.25,1239 2.958,1240 2.959,1241 3.057,1242 2.738,1243 2.763,1244 4.027,1245 2.746,1246 0.166,1247 0.167,1248 0.244,1249 0.15,1250 0.115,1251 4.64,1252 0.163,1253 4.679,1254 0.176,1255 6.829,1256 0.405,1257 4.207,1258 0.113,1259 3.226,1260 4.564,1261 4.935,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.158,1267 2.163,1268 1.435,1269 2.163,1270 1.754,1271 1.709,1272 1.95,1273 1.957,1274 1.216,1275 1.91,1276 1.668,1277 1.602,1278 1.905,1279 1.873,1280 1.133,1281 1.899,1282 1.447,1283 1.409,1284 1.636,1285 1.85,1286 0.769,1287 1.771,1288 1.269,1289 1.217,1290 1.484,1291 1.611,1292 0.748,1293 1.555,1294 1.138,1295 1.077,1296 1.435,1297 1.409,1298 0.632,1299 1.412,1300 1.093,1301 1.048,1302 1.312,1303 1.347,1304 0.507,1305 1.381,1306 0.938,1307 0.864,1308 1.168,1309 1.227,1310 0.246,1311 1.246,1312 4.043,1314 5.323,1316 6.806,1318 8.4,1320 10.064,1328 5.656,1329 6.112,1330 4.028,1340 29.686,1341 78.912,1342 173.323,1343 216.568,1344 240.078,1345 250.078,1346 250.078,1347 46.315,1348 7.274,1349 109.07,1350 109.07,1351 18,1352 12.354,1353 3.907,1354 3.248,1355 44.626,1356 105,1357 120,1358 0.2,1359 183.923,1360 321.76,1361 440.532,1362 14712,1364 18.355,1365 0.706,1366 0.557,1367 18.355,1368 14.494,1369 12.648,1370 0.452,1371 0.315,1372 8.69,1373 11.996,1374 8.576,1375 7.088,1376 12.648,1377 8.833,1378 11.031,1379 0.298,1380 0.169,1381 11.031,1382 6.264,1383 8.612,1384 0.183,1385 0.095,1386 8.612,1387 4.448,1388 7.132,1389 0.115,1390 0.053,1391 7.132,1392 3.266,1393 6.244,1394 0.076,1395 0.03,1396 6.244,1397 2.464,1398 0.321,1399 80.625,1400 0.231,1401 25.548,1402 0.527,1403 130,1404 448.898,1405 147.538,1406 421.519,1407 557.31,1408 390,1409 149,1410 405.586,1411 164.688,1412 397.742,1413 573.67,1414 373,1415 7.55}
{0 CHEMBL270248,1 1.536,2 21.227,3 8.021,4 64.34,5 177.862,6 8.258,7 0.5,8 4.414,9 4.511,10 4.068,11 4.032,12 5.54,13 4.001,14 4.928,15 5.071,16 4.431,17 4.407,18 6.064,19 4.355,20 5.191,21 5.368,22 4.572,23 4.557,24 6.272,25 4.472,26 5.25,27 5.459,28 4.387,29 4.511,30 6.281,31 4.407,32 5.232,33 5.448,34 4.355,35 4.475,36 6.299,37 4.378,38 5.202,39 5.41,40 4.295,41 4.459,42 6.26,43 4.353,44 5.164,45 5.389,46 4.264,47 4.411,48 6.187,49 4.291,50 5.089,51 5.309,52 4.202,53 4.299,54 6.151,55 4.191,56 0.03,57 0.949,58 12.921,59 6.872,60 9.548,61 8.491,62 0.334,63 1.574,64 26.022,65 11.476,66 36.361,67 14.289,68 0.471,69 1.968,70 44.221,71 16.023,72 58.935,73 19.868,74 0.534,75 2.083,76 45.481,77 17.333,78 71.205,79 22.072,80 0.53,81 2.05,82 44.185,83 17.02,84 81.48,85 21.799,86 0.562,87 1.991,88 42.176,89 16.377,90 77.78,91 20.725,92 0.492,93 1.922,94 41.809,95 16.284,96 70.266,97 21.455,98 0.602,99 1.745,100 39.854,101 14.88,102 80.715,103 19.091,104 27,105 65,106 0.233,107 0.539,108 0.719,109 0.842,110 0.875,111 0.879,112 3.809,113 0.944,114 -7.08,115 -6.88,116 -6.36,121 47.4,122 1,127 5,137 3,138 1,144 15,145 5,146 4,160 2,176 22,179 1,180 10,183 1,185 1,187 27,192 11,195 1,197 1,200 24,205 1,206 13,211 1,214 15,218 1,219 11,224 4,227 17,231 1,232 7,237 2,239 20,244 6,247 1,249 2,251 19,255 2,256 7,261 2,264 15,268 1,269 6,272 1,274 1,277 12,281 4952,282 29.902,283 29.902,284 29.902,285 29.902,286 29.902,287 26.378,288 29.506,289 17.853,290 30.539,291 23.653,292 23.653,293 23.653,294 23.653,295 23.653,296 18.258,297 35.36,298 8.501,299 24.748,300 4.712,301 2.701,302 1.511,303 0.704,304 0.484,305 0.457,306 4.513,308 2,313 2012,314 4.528,318 815.425,322 242.905,325 3.864,326 41.014,329 0.5,330 0.5,331 0.5,332 0.4,333 0.5,334 0.5,335 0.5,336 0.49,337 93.667,338 934,339 4.477,340 3.727,341 6.535,342 4.099,343 3.118,344 4.086,345 1.674,346 10.312,347 3.06,348 4.228,349 3.456,350 6.091,351 3.761,352 2.831,353 3.89,354 1.058,355 8.882,356 2.718,357 4.151,358 3.308,359 5.951,360 3.749,361 2.785,362 3.757,363 0.995,364 8.325,365 2.617,366 3.954,367 3.08,368 5.661,369 3.653,370 2.686,371 3.458,372 0.86,373 7.924,374 2.6,375 3.84,376 3.023,377 5.351,378 3.446,379 2.454,380 3.285,381 0.359,382 6.986,383 2.434,384 3.783,385 2.733,386 5.254,387 3.394,388 2.409,389 3.094,391 6.651,392 2.339,393 3.534,394 2.636,395 5.245,396 3.186,397 2.248,398 2.825,400 6.546,401 2.099,402 3.471,403 2.509,404 5.044,405 3.077,406 2.129,407 2.726,409 5.899,410 1.99,411 3.37,412 2.361,413 4.975,414 3.041,415 2.077,416 2.549,418 5.826,419 1.888,420 3.194,421 2.191,422 4.827,423 2.851,424 1.879,425 2.314,427 5.369,428 1.81,429 2.955,430 2.122,431 4.502,432 2.515,433 1.544,434 2.097,436 4.465,437 1.488,438 2.82,439 1.791,440 4.042,441 2.406,442 1.415,443 1.949,445 3.526,446 1.401,447 2.817,448 1.771,449 3.668,450 2.364,451 1.414,452 1.922,454 3.022,455 1.333,456 2.581,457 1.514,458 3.604,459 2.306,460 1.408,461 1.549,463 3.008,464 1.199,465 2.5,466 1.219,467 3.582,468 2,469 1,470 1.5,472 2.357,473 1,474 21.562,475 0.49,476 0.971,477 0.022,478 58.25,479 1.324,480 31,481 0.705,482 27.25,483 0.619,484 39.18,485 0.89,486 45.638,487 0.601,488 49.89,489 1.134,490 11.889,491 0.27,492 9.484,493 0.216,494 0.12,496 0.297,501 0.685,502 1.146,503 0.606,504 0.93,505 0.574,506 0.873,507 0.825,508 1.03,509 0.727,510 0.893,511 0.557,512 0.905,513 0.995,514 1.054,515 0.868,516 0.991,517 0.821,518 1.002,519 0.969,520 1.064,521 0.885,522 1.015,523 0.985,524 1.026,525 0.946,526 1.012,527 0.761,528 0.943,529 1.017,530 0.945,531 1.023,532 1.026,533 0.847,534 0.98,535 1.078,536 1.024,537 0.668,538 1.045,539 0.737,540 1.023,541 0.777,542 1.027,543 0.893,544 0.977,545 0.763,546 0.967,547 1.109,548 0.977,549 9,550 0.277,551 4.222,552 2.313,553 2.484,554 1.167,555 0.989,556 0.563,557 0.43,558 0.351,559 43908,560 126280,561 2.084,562 42.1,564 28,567 1,569 3,572 1.814,573 1.97,574 4.318,575 -0.445,582 116.725,583 1.536,584 3.547,585 4.737,586 5.544,587 5.764,588 5.791,589 3.856,590 4.942,591 5.424,592 4.552,593 4306.37,594 9.561,595 91402.8,600 474.842,601 1.325,602 5.399,603 0.188,604 0.006,605 0.065,606 0.035,607 0.042,608 0.02,609 0.018,610 0.011,611 0.009,612 0.008,613 0.401,614 0.17,615 0.5,616 0.605,617 266.19,618 -0.019,619 -0.073,620 0.023,621 -0.024,622 -0.048,623 0.01,624 0.05,625 0.046,626 0.013,627 0.023,628 0.089,629 -0.002,630 -0.02,631 -0.038,632 0.036,633 -0.029,634 0.004,635 -0.048,636 -0.013,637 -0.067,638 -0.029,639 -0.051,640 -0.033,641 -0.044,642 0.014,643 -0.018,644 0.039,645 0.017,646 0.044,647 0.041,648 -0.044,649 -0.027,650 -0.052,651 -0.024,652 -0.045,653 -0.048,654 0.114,655 -0.059,656 0.066,657 -0.053,658 0.064,659 -0.018,660 0.105,661 0.002,662 0.073,663 0.002,664 0.01,665 0.019,666 2.081,667 5.908,668 0.636,669 86.686,670 1.004,671 1.11,672 5.848,673 34.204,674 0.707,675 3.892,676 4.19,677 4.419,678 4.635,679 4.89,680 4.913,681 5.037,682 5.187,683 5.288,684 5.333,685 12.119,686 0.671,687 627.6,688 3.892,689 5.425,690 6.256,691 7.112,692 7.959,693 8.82,694 9.674,695 10.538,696 11.398,697 12.265,698 2.6,701 1,705 1,715 15,720 9,722 24,739 1,740 2,741 76,743 28,744 4,745 48,747 80,748 36,749 24,750 9,751 15,752 6,756 5,757 6,758 2,763 1,772 30,773 6,777 4,782 2,784 3,786 3,793 32,794 6,795 1,796 8,797 2,802 2,808 0.8,809 4,829 5,833 1,843 1,846 1,849 3,850 1,855 1,859 4,864 1,865 2,868 44,876 5,877 1,878 2,881 1,892 2,893 5.3,896 2,898 2,901 22.333,902 13.902,903 9.778,904 4.601,907 4.925,908 1.556,909 0.989,910 10.917,911 13.781,912 4.174,913 4.736,914 5.27,915 5.78,916 6.342,917 6.519,918 6.858,919 7.248,920 7.566,921 7.784,922 1,923 67,924 16.266,926 6.85,927 0.026,929 7.755,931 30.964,933 25.034,936 2.255,937 99.222,941 364.904,942 240.91,943 21.135,944 78.297,945 72.29,948 240.91,949 515.491,950 21.135,951 8.825,952 31.026,953 170.572,954 62.186,955 61.726,957 364.904,958 78.297,959 364.904,960 262.045,961 72.29,962 78.297,964 329.591,965 107.603,968 42.975,969 190.641,970 106.726,972 364.904,973 93.425,974 319.208,977 364.904,978 61.513,979 182.522,980 18.011,981 150.587,982 364.904,983 93.425,984 319.208,986 0.575,987 0.33,988 0.169,989 0.097,990 28,991 13,992 0.15,993 12,994 1,995 1.071,996 5.584,997 418.994,998 0.071,999 28,1000 228.215,1005 31.551,1006 15.224,1007 8.843,1009 93.425,1010 28.965,1015 6.668,1017 18.011,1018 777.537,1019 64,1024 25.032,1026 4.912,1028 -0.173,1031 76.298,1032 84.365,1034 0.246,1035 0.568,1036 0.758,1037 0.887,1038 0.923,1039 0.927,1040 5.398,1041 2.129,1042 6.221,1043 6.546,1044 4.875,1045 5.425,1046 2.516,1047 6.974,1048 4.793,1049 6.59,1050 2.077,1051 7.745,1052 5.899,1053 4.369,1054 5.103,1055 0.325,1056 7.735,1057 4.22,1058 7.878,1059 1.879,1060 9.362,1061 5.826,1062 6.422,1063 7.552,1064 3.081,1065 10.798,1066 6.276,1067 9.197,1068 1.544,1069 11.035,1070 5.369,1071 6.711,1072 8.012,1073 0.504,1074 12.369,1075 6.504,1076 10.544,1077 1.415,1078 12.743,1079 4.465,1080 8.215,1081 9.933,1082 3.91,1083 14.942,1084 8.011,1085 11.912,1086 1.414,1087 14.476,1088 3.526,1089 8.889,1090 10.78,1091 0.585,1092 16.887,1093 8.635,1094 13.295,1095 1.408,1096 16.228,1097 3.022,1098 10.157,1099 12.454,1100 4.863,1101 19.283,1102 9.901,1103 3.118,1104 1,1105 17.994,1106 3.008,1107 11.034,1108 13.519,1109 0.622,1110 21.412,1111 10.737,1112 2.831,1113 10.312,1114 19.772,1115 2.357,1116 12.197,1117 15.062,1118 5.865,1119 23.744,1120 11.892,1121 2.785,1122 8.882,1123 21.56,1124 4.086,1125 13.18,1126 16.254,1127 0.639,1128 25.967,1129 12.844,1130 2.686,1131 8.325,1132 23.357,1133 3.89,1134 14.299,1135 17.723,1136 6.885,1137 28.28,1138 13.951,1139 2.454,1140 7.924,1141 25.163,1142 3.757,1143 15.338,1144 18.992,1145 0.646,1146 30.549,1147 14.967,1148 2.409,1149 6.986,1150 26.975,1151 3.458,1152 16.443,1153 20.421,1154 7.912,1155 32.86,1156 16.057,1157 2.248,1158 6.651,1159 28.793,1160 3.285,1161 17.514,1162 21.736,1163 0.648,1164 35.154,1165 17.109,1166 41258,1167 70489,1168 32.304,1169 53.728,1170 71.039,1171 73.535,1172 71.72,1173 70.324,1174 70.046,1175 91.952,1176 9.892,1177 194.223,1178 66.914,1179 5.386,1180 5.727,1181 6.337,1182 5.197,1183 5.118,1184 7.086,1185 3.349,1186 17.143,1187 5.06,1188 21.949,1189 1.48,1190 1.532,1191 1.494,1192 1.465,1193 1.459,1194 1.916,1195 0.206,1196 4.046,1197 1.394,1198 4.052,1199 4.071,1200 4.121,1201 3.982,1202 7.434,1203 3.984,1204 3.936,1205 3.957,1206 4.001,1207 3.893,1208 7.429,1209 3.884,1210 3.922,1211 3.947,1212 3.856,1213 3.852,1214 5.047,1215 3.847,1216 3.861,1217 3.885,1218 3.799,1219 3.801,1220 4.911,1221 3.798,1222 3.667,1223 3.713,1224 3.643,1225 3.48,1226 4.762,1227 3.496,1228 3.593,1229 3.66,1230 3.502,1231 3.43,1232 4.713,1233 3.436,1234 3.465,1235 3.484,1236 3.405,1237 3.312,1238 4.495,1239 3.316,1240 3.348,1241 3.39,1242 3.387,1243 3.212,1244 4.488,1245 3.204,1246 0.093,1247 0.078,1248 0.136,1249 0.085,1250 0.065,1251 4.477,1252 0.085,1253 3.727,1254 0.035,1255 6.535,1256 0.215,1257 4.099,1258 0.064,1259 3.118,1260 4.086,1261 1.674,1262 10.312,1263 3.06,1264 1.994,1265 1.98,1266 2.086,1267 2.081,1268 1.264,1269 2.081,1270 1.918,1271 1.895,1272 2.04,1273 2.02,1274 1.171,1275 2.027,1276 1.91,1277 1.888,1278 1.98,1279 1.975,1280 1.104,1281 1.987,1282 1.858,1283 1.837,1284 1.965,1285 1.944,1286 1.09,1287 1.955,1288 1.595,1289 1.548,1290 1.836,1291 1.82,1292 1.017,1293 1.817,1294 1.569,1295 1.505,1296 1.783,1297 1.771,1298 0.982,1299 1.789,1300 1.415,1301 1.387,1302 1.57,1303 1.589,1304 0.736,1305 1.579,1306 1.335,1307 1.288,1308 1.541,1309 1.495,1310 0.61,1311 1.513,1312 4.575,1314 5.878,1316 7.368,1318 8.945,1320 10.568,1322 2.159,1323 11.923,1328 3.174,1329 2.763,1330 11.426,1333 2.374,1340 50.986,1341 116.725,1342 269.565,1343 359.974,1344 421.333,1345 438.088,1346 440.088,1347 90.301,1348 8.857,1349 71.78,1350 71.78,1351 30,1352 12.812,1353 4.858,1354 4.087,1355 74.773,1356 322,1357 316,1358 0.109,1359 318.529,1360 571.3,1361 768.97,1362 122761,1363 2.6,1364 30.89,1365 0.702,1366 0.586,1367 31.89,1368 25.776,1369 21.373,1370 0.445,1371 0.315,1372 14.269,1373 20.235,1374 13.856,1375 11.48,1376 21.95,1377 15.106,1378 18.943,1379 0.291,1380 0.171,1381 19.685,1382 11.094,1383 15.695,1384 0.191,1385 0.096,1386 16.609,1387 7.855,1388 12.335,1389 0.121,1390 0.049,1391 12.737,1392 5.048,1393 10.461,1394 0.079,1395 0.027,1396 10.841,1397 3.558,1398 0.183,1399 138.532,1400 0.176,1401 40.5,1402 0.271,1403 226,1404 667.327,1405 273.13,1406 705.234,1407 938.86,1408 658,1409 260,1410 634.528,1411 302.744,1412 664.4,1413 968,1414 625,1415 5.374}
{0 CHEMBL270349,1 1.572,2 12.276,3 3.551,4 12.609,5 110.913,6 7.027,7 0.355,8 4.126,9 4.254,10 3.63,11 3.608,12 5.208,13 3.579,14 4.699,15 4.883,16 3.982,17 4.028,18 5.86,19 3.967,20 4.988,21 5.217,22 4.061,23 4.191,24 5.943,25 4.103,26 5.127,27 5.381,28 3.984,29 4.155,30 6.143,31 4.063,32 4.956,33 5.184,34 3.945,35 4.143,36 5.95,37 4.043,38 5.08,39 5.324,40 3.81,41 4.137,42 6.229,43 3.987,44 4.976,45 5.27,46 3.549,47 3.987,48 5.726,49 3.795,50 4.852,51 5.168,52 3.448,53 3.754,54 5.685,55 3.596,56 0.187,57 0.828,58 12.801,59 5.273,60 11.237,61 7.309,62 0.526,63 1.313,64 24.363,65 8.958,66 76.027,67 12.881,68 0.272,69 1.655,70 33.1,71 11.142,72 42.226,73 16.904,74 1.006,75 1.673,76 41.231,77 10.85,78 119.094,79 16.719,80 0.435,81 1.56,82 32.448,83 10.757,84 46.983,85 15.969,86 0.911,87 1.551,88 38.572,89 12.395,90 157.325,91 18.15,92 0.381,93 1.396,94 34.567,95 11.269,96 56.943,97 17.514,98 0.58,99 1.167,100 31.846,101 8.462,102 64.557,103 13.824,104 36,105 43,106 0.259,107 0.582,108 0.761,109 0.828,110 0.857,111 0.857,112 3.407,113 0.976,114 -3.89,115 -3.85,116 -3.65,121 36.8,122 2,123 5,125 1,127 3,144 4,145 2,146 1,148 2,160 1,168 3,176 10,179 3,180 6,183 1,185 5,187 10,192 9,197 4,200 6,205 1,206 7,209 2,210 1,211 4,214 9,218 1,219 4,222 1,224 2,227 12,231 2,232 2,235 3,237 3,239 10,244 1,249 4,251 4,256 4,259 2,261 4,264 2,269 2,272 1,274 2,277 6,281 1372,282 19.198,283 19.198,284 19.198,285 19.198,286 19.198,287 17.404,288 22.161,289 11.501,290 19.384,291 15.298,292 15.298,293 15.298,294 15.298,295 15.298,296 12.46,297 26.317,298 5.451,299 15.601,300 4.26,301 2.296,302 1.211,303 0.798,304 0.623,305 0.623,306 4.089,311 1,312 1,313 754,314 4.637,318 207.558,322 239.086,325 1.715,326 32.364,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 64,338 356,339 4.64,340 4.678,341 7.248,342 4.352,343 3.352,344 4.564,345 4.929,346 12.144,347 3.348,348 4.433,349 3.958,350 6.829,351 4.207,352 3.226,353 3.565,354 1.907,355 11.348,356 3.162,357 3.914,358 3.361,359 5.982,360 3.524,361 2.532,362 3.437,363 0.4,364 8.37,365 2.512,366 3.815,367 2.669,368 5.381,369 3.174,370 2.193,371 3.312,372 0.341,373 6.711,374 2.15,375 3.522,376 2.62,377 4.786,378 3.134,379 2.179,380 2.893,381 0.149,382 5.203,383 2.077,384 3.01,385 2.356,386 4.513,387 2.808,388 1.836,389 2.142,391 4.478,392 1.777,393 2.938,394 1.999,395 4.116,396 2.524,397 1.539,398 2.012,400 3.48,401 1.513,402 2.674,403 1.855,404 3.96,405 2.442,406 1.445,407 1.693,409 3.329,410 1.433,411 2.549,412 1.6,413 3.682,414 2.345,415 1.347,416 1.543,418 3.113,419 1.343,420 2.485,421 1.451,422 3.594,423 2.242,424 1.247,425 1.482,427 2.902,428 1.24,429 2.093,430 1.35,431 3.507,432 1.929,433 0.952,434 1.045,436 2.244,437 0.925,438 1.755,439 1.318,440 3.184,441 1.52,442 0.574,443 0.648,445 1.287,446 0.535,447 1.688,448 1,449 2.925,450 1.389,451 0.459,452 0.53,454 1.015,455 0.424,456 1.323,457 0.817,458 2.797,459 0.995,460 0.03,461 0.037,463 0.075,464 0.029,465 1,466 0.639,467 2.442,468 0.583,469 -0.396,470 -0.462,472 -0.933,473 -0.385,474 13.433,475 0.463,476 0.79,477 0.027,478 33.25,479 1.147,480 15,481 0.517,482 18.25,483 0.629,484 28.479,485 0.982,486 33.367,487 0.585,488 24.914,489 0.859,490 6.1,491 0.21,492 7.782,493 0.268,494 0.149,495 0.037,496 0.253,501 0.483,502 1.279,503 0.821,504 1.164,505 0.504,506 1.073,507 0.476,508 1.154,509 0.832,510 1.058,511 0.331,512 1.018,513 0.658,514 1.324,515 0.906,516 1.209,517 0.52,518 1.111,519 1.293,520 0.767,521 1.116,522 0.727,523 1.201,524 0.856,525 0.807,526 1.075,527 1.084,528 1.149,529 0.705,530 1.152,531 0.912,532 0.997,533 1.158,534 1.098,535 1.076,536 1.178,537 0.548,538 1.115,539 0.916,540 1.127,541 0.477,542 1.102,543 0.802,544 0.727,545 0.855,546 0.728,547 0.685,548 0.778,549 6,550 0.281,551 3.778,552 1.938,553 1.76,554 0.715,555 0.382,556 0.193,557 0.222,558 0.316,559 11111,560 32015,561 2.005,562 49.1,563 12,564 10,567 2,568 2,570 2,572 1.716,573 1.861,574 3.51,575 0.262,577 1,582 89.63,583 1.572,584 3.537,585 4.622,586 5.034,587 5.21,588 5.21,589 2.876,590 4.142,591 4.832,592 3.763,593 1527.66,594 8.394,595 21824.9,597 1,599 1,600 332.475,601 1.573,602 4.772,603 0.194,604 0.01,605 0.088,606 0.043,607 0.044,608 0.018,609 0.012,610 0.008,611 0.01,612 0.013,613 0.44,614 0.33,615 1,616 2.28,617 149.976,618 0.202,619 0.049,620 0.056,621 0.037,622 0.018,623 0.013,624 0.291,625 0.001,626 0.084,627 0.059,628 0.276,629 0.036,630 -0.003,631 -0.236,632 0.014,633 -0.159,634 0.021,635 -0.08,636 -0.143,637 0.217,638 -0.095,639 0.183,640 -0.153,641 0.072,642 -0.053,643 0.019,644 -0.15,645 -0.12,646 -0.003,647 -0.142,648 0.071,649 -0.05,650 -0.183,651 -0.094,652 0.088,653 -0.181,654 0.041,655 -0.211,656 0.017,657 -0.135,658 0.025,659 -0.077,660 0.011,661 0.149,662 0.139,663 0.153,664 0.002,665 0.173,666 2.876,667 5.234,668 0.483,669 27.424,670 1.006,671 1.137,672 2.664,673 7.097,674 0.631,675 3.466,676 3.784,677 4.007,678 4.22,679 4.489,680 4.511,681 4.605,682 4.7,683 4.779,684 4.682,685 7.467,686 0.601,687 400.53,688 3.466,689 5.004,690 5.838,691 6.713,692 7.576,693 8.459,694 9.334,695 10.221,696 11.103,697 11.992,698 7,703 1,705 1,708 1,710 1,714 2,715 4,716 1,720 3,722 11,734 1,741 57,743 14,744 1,745 31,747 59,748 21,749 9,750 2,751 4,756 3,757 6,763 2,764 1,767 4,770 5,772 10,773 11,777 3,779 1,782 3,786 1,790 1,793 28,794 7,795 2,796 8,802 4,808 0.333,809 4,822 1,829 3,833 2,843 1,859 1,864 2,868 29,876 8,877 2,878 1,882 1,893 7,896 1,897 1,899 2,901 15.583,902 10.65,903 6.403,904 3.638,907 2.533,908 1.341,909 0.93,910 7.042,911 9.97,912 3.701,913 4.27,914 4.758,915 5.299,916 5.903,917 6.215,918 6.572,919 6.915,920 7.217,921 7.05,922 0.875,923 45,924 10.766,926 4.542,927 0.026,929 7.905,931 20.534,933 16.83,936 2.405,937 69.75,939 1,940 1,941 306.049,942 95.153,943 61.091,945 87.111,948 95.153,949 393.159,950 61.091,951 25.935,952 39.487,953 37.905,954 75.865,955 13.416,957 306.049,958 50.747,959 306.049,960 156.244,961 87.111,964 282.506,965 48.687,966 61.966,968 62.038,969 59.409,970 34.796,972 306.049,973 148.202,974 95.153,977 306.049,978 39.597,979 63.84,980 36.022,981 103.896,982 306.049,983 148.202,984 95.153,986 0.579,987 0.326,988 0.167,989 0.101,990 19,991 9,992 0.153,993 9,994 2,995 1.286,996 4.042,997 241.341,998 0.286,999 14,1000 134.881,1005 21.475,1006 9.51,1007 5.431,1008 2.145,1009 139.918,1010 8.178,1011 4.844,1015 3.673,1017 36.022,1018 549.403,1019 39.5,1021 -0.876,1024 32.908,1028 -0.258,1031 57.32,1032 64.813,1034 0.27,1035 0.606,1036 0.792,1037 0.863,1038 0.893,1039 0.893,1040 4.947,1041 1.445,1042 5.849,1043 3.48,1044 4.466,1045 4.956,1046 3.839,1047 6.693,1048 4.429,1049 6.157,1050 1.347,1051 7.439,1052 3.329,1053 4.205,1054 4.956,1055 4.403,1056 7.921,1057 4.185,1058 7.486,1059 1.247,1060 9.151,1061 3.113,1062 6.129,1063 7.173,1064 6.605,1065 10.959,1066 6.065,1067 8.855,1068 0.952,1069 10.941,1070 2.902,1071 6.711,1072 7.981,1073 7.833,1074 13.01,1075 6.666,1076 10.26,1077 0.574,1078 12.78,1079 2.244,1080 8.154,1081 9.743,1082 9.66,1083 15.648,1084 8.079,1085 11.688,1086 0.459,1087 14.653,1088 1.287,1089 9.098,1090 10.91,1091 11.107,1092 17.973,1093 9.033,1094 13.135,1095 0.03,1096 16.549,1097 1.015,1098 10.373,1099 12.509,1100 12.799,1101 20.496,1102 10.291,1103 3.352,1104 -0.396,1105 18.461,1106 0.075,1107 11.467,1108 13.849,1109 14.33,1110 22.916,1111 11.388,1112 3.226,1113 12.144,1114 20.385,1115 -0.933,1116 12.684,1117 15.389,1118 15.968,1119 25.406,1120 12.595,1121 2.532,1122 11.348,1123 22.318,1124 4.564,1125 13.838,1126 16.816,1127 17.535,1128 27.86,1129 13.747,1130 2.193,1131 8.37,1132 24.257,1133 3.565,1134 15.038,1135 18.335,1136 19.148,1137 30.341,1138 14.94,1139 2.179,1140 6.711,1141 26.202,1142 3.437,1143 16.216,1144 19.807,1145 20.731,1146 32.809,1147 16.114,1148 1.836,1149 5.203,1150 28.151,1151 3.312,1152 17.412,1153 21.321,1154 22.334,1155 35.288,1156 17.304,1157 1.539,1158 4.478,1159 30.103,1160 2.893,1161 18.6,1162 22.815,1163 23.924,1164 37.763,1165 18.489,1166 10958,1167 18776,1168 20.167,1169 35.978,1170 46,1171 49.695,1172 47.331,1173 45.711,1174 45.824,1175 57.805,1176 15.453,1177 131.395,1178 44.936,1179 5.6,1180 6.678,1181 7.011,1182 5.393,1183 5.352,1184 7.564,1185 8.199,1186 19.675,1187 5.348,1188 16.16,1189 1.484,1190 1.603,1191 1.527,1192 1.475,1193 1.478,1194 1.865,1195 0.498,1196 4.239,1197 1.45,1198 4.113,1199 4.144,1200 4.073,1201 4.04,1202 7.823,1203 4.044,1204 3.857,1205 3.893,1206 3.789,1207 3.675,1208 7.428,1209 3.684,1210 3.732,1211 3.781,1212 3.62,1213 3.649,1214 6.999,1215 3.636,1216 3.663,1217 3.716,1218 3.607,1219 3.45,1220 4.972,1221 3.442,1222 3.568,1223 3.607,1224 3.437,1225 3.158,1226 4.433,1227 3.168,1228 3.301,1229 3.375,1230 3.165,1231 2.993,1232 4.411,1233 3.135,1234 3.16,1235 3.235,1236 3.035,1237 2.969,1238 4.266,1239 2.973,1240 3.08,1241 3.16,1242 2.915,1243 2.831,1244 4.064,1245 2.843,1246 0.15,1247 0.151,1248 0.234,1249 0.14,1250 0.108,1251 4.64,1252 0.147,1253 4.678,1254 0.159,1255 7.248,1256 0.392,1257 4.352,1258 0.108,1259 3.352,1260 4.564,1261 4.929,1262 12.144,1263 3.348,1264 2.072,1265 2.046,1266 2.158,1267 2.163,1268 1.435,1269 2.163,1270 1.777,1271 1.734,1272 1.974,1273 2.002,1274 1.237,1275 1.977,1276 1.754,1277 1.709,1278 1.949,1279 1.874,1280 1.183,1281 1.902,1282 1.615,1283 1.544,1284 1.876,1285 1.868,1286 1.128,1287 1.848,1288 1.287,1289 1.231,1290 1.506,1291 1.769,1292 0.759,1293 1.665,1294 1.202,1295 1.181,1296 1.44,1297 1.504,1298 0.645,1299 1.508,1300 1.137,1301 1.062,1302 1.417,1303 1.354,1304 0.53,1305 1.381,1306 1.051,1307 0.962,1308 1.373,1309 1.315,1310 0.469,1311 1.338,1312 4.143,1314 5.46,1316 6.976,1318 8.593,1320 10.268,1322 3.249,1328 6.093,1329 6.402,1330 4.35,1334 -0.957,1340 34.266,1341 89.63,1342 201.612,1343 263.455,1344 286.965,1345 296.965,1346 296.965,1347 65.296,1348 7.437,1349 109.07,1350 109.07,1351 18,1352 12.523,1353 3.907,1354 3.248,1355 52.791,1356 132,1357 128,1358 0.193,1359 212.7,1360 373.66,1361 510.748,1362 18332,1364 20.855,1365 0.719,1366 0.586,1367 20.855,1368 16.994,1369 13.882,1370 0.448,1371 0.325,1372 9.94,1373 13.241,1374 9.667,1375 8.059,1376 13.882,1377 10.083,1378 12.777,1379 0.297,1380 0.187,1381 12.777,1382 8.053,1383 10.016,1384 0.185,1385 0.097,1386 10.016,1387 5.256,1388 7.625,1389 0.114,1390 0.054,1391 7.625,1392 3.597,1393 6.694,1394 0.076,1395 0.031,1396 6.694,1397 2.695,1398 0.312,1399 88.029,1400 0.223,1401 27.953,1402 0.507,1403 148,1404 466.898,1405 165.538,1406 441.836,1407 586.39,1408 408,1409 171,1410 429.586,1411 187.852,1412 425.729,1413 614.03,1414 397,1415 7.158}
{0 CHEMBL270491,1 1.553,2 12.346,3 3.029,4 9.173,5 101.924,6 6.894,7 0.393,8 4.038,9 4.17,10 3.532,11 3.517,12 5.076,13 3.485,14 4.611,15 4.8,16 3.827,17 3.918,18 5.741,19 3.843,20 4.881,21 5.147,22 3.841,23 4.049,24 5.668,25 3.937,26 4.877,27 5.135,28 3.794,29 4.019,30 5.756,31 3.907,32 4.837,33 5.082,34 3.709,35 4.022,36 5.677,37 3.892,38 4.886,39 5.146,40 3.595,41 4.008,42 5.716,43 3.838,44 4.863,45 5.158,46 3.417,47 3.883,48 5.575,49 3.687,50 4.716,51 5.024,52 3.276,53 3.649,54 5.502,55 3.472,56 0.179,57 0.764,58 12.04,59 4.759,60 9.618,61 6.758,62 0.46,63 1.2,64 22.631,65 7.963,66 64.581,67 11.746,68 0.291,69 1.45,70 30.477,71 9.738,72 30.992,73 15.368,74 0.492,75 1.421,76 30.831,77 9.331,78 47.178,79 14.51,80 0.347,81 1.375,82 29.045,83 9.801,84 39.293,85 14.725,86 0.413,87 1.358,88 30.826,89 10.611,90 50.072,91 15.964,92 0.304,93 1.243,94 30.593,95 10.012,96 39.781,97 15.574,98 0.44,99 1.022,100 27.194,101 7.762,102 47.209,103 12.422,104 15,105 36,106 0.261,107 0.567,108 0.747,109 0.856,110 0.888,111 0.888,112 3.303,113 1.005,114 -3.87,115 -3.83,116 -3.63,121 36.5,123 6,127 4,144 4,145 2,146 1,148 2,168 3,176 8,179 3,180 5,185 5,187 9,192 5,197 2,200 6,206 4,209 2,210 1,211 4,214 9,222 1,224 2,227 10,232 2,235 2,237 3,239 10,244 1,249 2,251 4,256 2,259 2,261 4,264 2,272 1,274 2,277 2,281 1200,282 17.933,283 17.933,284 17.933,285 17.933,286 17.933,287 16.255,288 21.075,289 11.323,290 18.176,291 13.903,292 13.903,293 13.903,294 13.903,295 13.903,296 11.32,297 25.559,298 5.466,299 14.297,300 4.148,301 2.331,302 1.26,303 0.615,304 0.423,305 0.423,306 3.994,310 1,311 1,312 1,313 687,314 3.808,318 176.921,322 203.269,325 1.831,326 22.056,328 1,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 57,338 321,339 4.64,340 4.674,341 6.829,342 4.207,343 3.226,344 4.564,345 4.929,346 11.348,347 3.162,348 3.914,349 3.361,350 5.982,351 3.524,352 2.532,353 3.437,354 0.4,355 8.37,356 2.512,357 3.828,358 2.669,359 5.381,360 3.211,361 2.236,362 3.333,363 0.4,364 6.711,365 2.178,366 3.522,367 2.359,368 4.659,369 3.135,370 2.182,371 2.893,372 0.341,373 5.184,374 2.077,375 2.941,376 2.215,377 4.116,378 2.811,379 1.856,380 2.142,382 3.788,383 1.77,384 2.888,385 2.026,386 3.981,387 2.534,388 1.559,389 1.894,391 3.383,392 1.519,393 2.645,394 1.714,395 3.827,396 2.483,397 1.497,398 1.672,400 3.329,401 1.473,402 2.544,403 1.514,404 3.615,405 2.345,406 1.347,407 1.545,409 3.078,410 1.343,411 2.485,412 1.435,413 3.594,414 2.242,415 1.247,416 1.484,418 2.902,419 1.24,420 2.2,421 1.35,422 3.432,423 2.067,424 1.128,425 1.181,427 2.451,428 1.055,429 1.912,430 1.255,431 3.059,432 1.733,433 0.775,434 0.854,436 1.724,437 0.739,438 1.58,439 1,440 2.854,441 1.362,442 0.42,443 0.468,445 0.901,446 0.393,447 1.273,448 0.905,449 2.576,450 0.989,451 0.045,452 0.052,454 0.106,455 0.042,456 1,457 0.547,458 2.404,459 0.676,460 -0.276,461 -0.313,463 -0.638,464 -0.262,465 0.921,466 0.15,467 2.135,468 0.538,469 -0.445,470 -0.568,472 -1.091,473 -0.436,474 12.1,475 0.465,476 0.418,477 0.016,478 30,479 1.154,480 13.5,481 0.519,482 16.5,483 0.635,484 22.885,485 0.88,486 29.9,487 0.575,488 19.945,489 0.767,490 5.597,491 0.215,492 7.157,493 0.275,494 0.055,496 0.24,501 0.481,502 1.282,503 0.841,504 1.156,505 0.482,506 1.076,507 0.557,508 1.233,509 0.963,510 1.144,511 0.287,512 1.122,513 0.611,514 1.057,515 0.827,516 0.936,517 0.349,518 0.91,519 0.872,520 0.902,521 1.032,522 0.906,523 0.753,524 0.973,525 0.808,526 1.011,527 1.105,528 1.088,529 0.757,530 1.133,531 0.664,532 1.065,533 1.092,534 1.17,535 0.659,536 1.206,537 0.592,538 1.063,539 0.947,540 1.107,541 0.512,542 1.094,543 0.802,544 0.839,545 0.918,546 0.863,547 0.781,548 0.903,549 3,550 0.062,551 2,552 1.313,553 1.2,554 0.438,555 0.3,556 0.161,557 0.123,558 0.097,559 8780,560 24905,561 2.082,562 50,563 6,564 12,567 2,568 2,570 4,572 1.685,573 2,574 3.492,575 0.289,576 1,577 1,582 80.746,583 1.553,584 3.37,585 4.441,586 5.085,587 5.277,588 5.277,589 2.859,590 4.056,591 4.663,592 3.76,593 1222.04,594 8.053,595 16348.1,597 1,599 1,600 296.423,601 1.14,602 4.655,603 0.107,604 0.004,605 0.056,606 0.035,607 0.035,608 0.014,609 0.012,610 0.008,611 0.007,612 0.006,613 0.283,614 0.33,615 1,616 2.273,617 130.678,618 0.255,619 0.051,620 0.065,621 0.04,622 0.056,623 0.014,624 0.269,625 -0.076,626 -0.029,627 -0.04,628 0.34,629 -0.077,630 -0.008,631 -0.026,632 0.104,633 0.074,634 0.03,635 0.106,636 -0.058,637 0.15,638 -0.071,639 0.069,640 -0.066,641 0.007,642 -0.099,643 0.048,644 -0.172,645 -0.055,646 -0.091,647 -0.114,648 0.015,649 -0.077,650 -0.164,651 -0.138,652 -0.015,653 -0.18,654 0.018,655 -0.159,656 -0.015,657 -0.117,658 0.003,659 -0.08,660 0.025,661 0.034,662 0.059,663 0.051,664 -0.022,665 0.058,666 2.746,667 3.054,668 0.538,669 28.189,670 1.002,671 1.138,672 2.638,673 6.961,674 0.63,675 3.367,676 3.611,677 3.85,678 4.127,679 4.394,680 4.454,681 4.575,682 4.663,683 4.71,684 4.543,685 7.376,686 0.597,687 358.49,688 3.367,689 4.86,690 5.68,691 6.532,692 7.386,693 8.258,694 9.13,695 10.014,696 10.898,697 11.79,698 7.7,700 1,703 1,708 1,710 1,714 2,715 4,716 1,720 3,722 11,734 1,741 52,743 13,744 1,745 28,747 54,748 19,749 9,750 2,751 4,756 3,757 6,767 4,770 6,772 9,773 10,777 2,779 1,782 2,789 1,790 1,793 26,794 6,795 2,796 7,802 4,808 0.333,809 3,822 1,829 3,833 2,853 1,859 1,868 26,876 10,877 2,878 1,893 5.8,897 1,899 2,901 13,902 8.983,903 5.944,904 3.471,907 2.516,908 1.346,909 0.955,910 7.037,911 9.79,912 3.597,913 4.135,914 4.649,915 5.258,916 5.865,917 6.191,918 6.567,919 6.907,920 7.2,921 7.004,922 0.875,923 37,924 9.604,926 3.941,927 0.026,929 7.763,931 18.706,933 15.209,936 2.263,937 58.833,940 1,941 282.506,942 77.438,943 61.091,945 61.966,948 77.438,949 344.472,950 61.091,951 8.284,952 26.117,953 55.916,954 46.015,955 13.416,957 282.506,958 50.747,959 282.506,960 138.529,961 61.966,964 235.422,965 47.084,966 61.966,968 49.028,969 54.705,970 34.796,972 282.506,973 123.057,974 77.438,977 282.506,978 39.533,979 46.189,980 36.022,981 78.751,982 282.506,983 123.057,984 77.438,986 0.553,987 0.305,988 0.173,989 0.099,990 15,991 6,992 0.185,993 10,994 2,995 1.286,996 3.969,997 202.125,998 0.286,999 14,1000 120.211,1005 18.869,1006 9.696,1007 5.294,1008 2.276,1009 114.773,1010 8.344,1011 4.863,1015 3.894,1017 36.022,1018 483.001,1019 35.5,1021 -0.746,1024 20.107,1031 52.109,1032 59.189,1034 0.272,1035 0.591,1036 0.779,1037 0.892,1038 0.926,1039 0.926,1040 4.794,1041 1.347,1042 5.609,1043 3.329,1044 4.29,1045 4.82,1046 3.707,1047 6.368,1048 4.238,1049 5.951,1050 1.247,1051 7.12,1052 3.078,1053 3.611,1054 4.663,1055 4.354,1056 7.222,1057 3.561,1058 7.238,1059 1.128,1060 8.748,1061 2.902,1062 5.796,1063 7.027,1064 6.582,1065 10.395,1066 5.699,1067 8.571,1068 0.775,1069 10.455,1070 2.451,1071 6.043,1072 7.777,1073 7.826,1074 12.208,1075 5.947,1076 9.947,1077 0.42,1078 12.216,1079 1.724,1080 7.63,1081 9.613,1082 9.657,1083 14.884,1084 7.498,1085 11.354,1086 0.045,1087 14.015,1088 0.901,1089 8.36,1090 10.772,1091 11.105,1092 17.064,1093 8.222,1094 12.784,1095 -0.276,1096 15.841,1097 0.106,1098 9.687,1099 12.409,1100 12.798,1101 19.578,1102 9.523,1103 3.226,1104 -0.445,1105 17.687,1106 -0.638,1107 10.657,1108 13.758,1109 14.33,1110 21.902,1111 10.479,1112 2.532,1113 11.348,1114 19.548,1115 -1.091,1116 11.879,1117 15.319,1118 15.967,1119 24.361,1120 11.679,1121 2.236,1122 8.37,1123 21.42,1124 4.564,1125 12.961,1126 16.758,1127 17.535,1128 26.744,1129 12.743,1130 2.182,1131 6.711,1132 23.3,1133 3.437,1134 14.145,1135 18.29,1136 19.148,1137 29.184,1138 13.906,1139 1.856,1140 5.184,1141 25.187,1142 3.333,1143 15.276,1144 19.77,1145 20.731,1146 31.592,1147 15.017,1148 1.559,1149 3.788,1150 27.079,1151 2.893,1152 16.447,1153 21.292,1154 22.334,1155 34.024,1156 16.168,1157 1.497,1158 3.383,1159 28.975,1160 2.142,1161 17.6,1162 22.792,1163 23.924,1164 36.444,1165 17.3,1166 8620,1167 14691,1168 19.068,1169 32.762,1170 39.779,1171 43.026,1172 40.955,1173 40.029,1174 40.099,1175 51.038,1176 12.141,1177 106.551,1178 39.005,1179 5.597,1180 6.674,1181 6.739,1182 5.247,1183 5.226,1184 7.564,1185 8.199,1186 18.879,1187 5.162,1188 10.202,1189 1.421,1190 1.537,1191 1.463,1192 1.43,1193 1.432,1194 1.823,1195 0.434,1196 3.805,1197 1.393,1198 4.112,1199 4.143,1200 4.073,1201 4.04,1202 7.823,1203 4.044,1204 3.782,1205 3.834,1206 3.721,1207 3.651,1208 6.999,1209 3.637,1210 3.732,1211 3.78,1212 3.618,1213 3.548,1214 4.972,1215 3.549,1216 3.661,1217 3.709,1218 3.54,1219 3.383,1220 4.435,1221 3.389,1222 3.474,1223 3.54,1224 3.33,1225 3.152,1226 4.408,1227 3.163,1228 3.269,1229 3.334,1230 3.128,1231 2.985,1232 4.28,1233 3.089,1234 3.145,1235 3.224,1236 3.016,1237 2.953,1238 4.122,1239 2.966,1240 3.031,1241 3.127,1242 2.823,1243 2.774,1244 3.972,1245 2.772,1246 0.166,1247 0.167,1248 0.244,1249 0.15,1250 0.115,1251 4.64,1252 0.163,1253 4.674,1254 0.176,1255 6.829,1256 0.405,1257 4.207,1258 0.113,1259 3.226,1260 4.564,1261 4.929,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.158,1267 2.163,1268 1.435,1269 2.163,1270 1.754,1271 1.709,1272 1.955,1273 1.97,1274 1.251,1275 1.946,1276 1.704,1277 1.632,1278 1.944,1279 1.875,1280 1.159,1281 1.902,1282 1.554,1283 1.489,1284 1.821,1285 1.868,1286 1.114,1287 1.818,1288 1.286,1289 1.231,1290 1.506,1291 1.692,1292 0.759,1293 1.636,1294 1.18,1295 1.144,1296 1.442,1297 1.458,1298 0.653,1299 1.466,1300 1.132,1301 1.058,1302 1.381,1303 1.351,1304 0.567,1305 1.381,1306 0.988,1307 0.9,1308 1.236,1309 1.291,1310 0.411,1311 1.313,1312 4.043,1314 5.303,1316 6.772,1318 8.36,1320 10.025,1328 8.882,1329 6.929,1330 4.285,1340 31.025,1341 80.746,1342 175.229,1343 230.913,1344 264.423,1345 274.423,1346 274.423,1347 41.311,1348 7.274,1349 92,1350 92,1351 18,1352 12.32,1353 3.807,1354 3.087,1355 44.796,1356 110,1357 134,1358 0.19,1359 192.446,1360 332.91,1361 461.329,1362 15092,1364 18.192,1365 0.7,1366 0.577,1367 18.192,1368 15,1369 12.754,1370 0.456,1371 0.335,1372 9.246,1373 12.158,1374 9.122,1375 7.553,1376 12.754,1377 9.379,1378 10.762,1379 0.299,1380 0.183,1381 10.762,1382 6.577,1383 8.46,1384 0.184,1385 0.102,1386 8.46,1387 4.696,1388 7.136,1389 0.117,1390 0.057,1391 7.136,1392 3.463,1393 6.032,1394 0.075,1395 0.032,1396 6.032,1397 2.59,1398 0.308,1399 80.731,1400 0.229,1401 25.834,1402 0.489,1403 128,1404 393.163,1405 142.99,1406 371.813,1407 498.87,1408 346,1409 146,1410 369.387,1411 159.363,1412 362.408,1413 523.41,1414 341,1415 8.194}
{0 CHEMBL271385,1 1.334,2 10.846,3 4.726,4 22.339,5 107.837,6 6.203,7 0.393,8 4.091,9 4.235,10 3.495,11 3.63,12 5.02,13 3.564,14 4.681,15 4.895,16 3.851,17 4.051,18 5.536,19 3.951,20 4.996,21 5.243,22 3.944,23 4.204,24 5.884,25 4.076,26 5.09,27 5.379,28 3.8,29 4.143,30 5.947,31 4,32 4.886,33 5.142,34 3.695,35 4.111,36 5.648,37 3.952,38 4.965,39 5.242,40 3.567,41 4.124,42 5.648,43 3.92,44 4.961,45 5.267,46 3.406,47 4.024,48 5.613,49 3.788,50 4.826,51 5.15,52 3.261,53 3.812,54 5.453,55 3.58,56 0.066,57 0.815,58 13.815,59 5.593,60 8.441,61 8.147,62 0.196,63 1.333,64 24.846,65 9.49,66 20.874,67 14.114,68 0.241,69 1.694,70 34.081,71 11.887,72 37.12,73 18.134,74 0.498,75 1.7,76 37.992,77 11.355,78 59.69,79 17.799,80 0.27,81 1.503,82 30.323,83 11.125,84 27.144,85 16.649,86 0.218,87 1.528,88 32.146,89 12.612,90 26.682,91 18.572,92 0.259,93 1.437,94 31.779,95 12.355,96 32.511,97 18.302,98 0.191,99 1.233,100 27.73,101 10,102 25.236,103 15.301,104 25,105 39,106 0.221,107 0.522,108 0.701,109 0.777,110 0.812,111 0.823,112 3.303,113 1.06,114 -4.27,115 -4.21,116 -3.97,121 38.6,122 3,123 6,125 1,127 2,144 4,145 2,146 1,148 2,160 1,176 12,180 5,183 1,185 5,187 12,192 7,197 7,200 6,206 3,209 1,211 4,214 9,219 1,223 1,224 2,227 16,232 1,239 15,244 1,247 1,249 3,251 8,261 5,264 2,269 2,272 1,274 4,277 2,281 1108,282 17.283,283 17.283,284 17.283,285 17.283,286 17.283,287 15.88,288 20.679,289 10.379,290 17.436,291 13.844,292 13.844,293 13.844,294 13.844,295 13.844,296 11.561,297 23.753,298 4.933,299 14.073,300 4.499,301 2.682,302 1.601,303 1.145,304 0.935,305 0.865,306 3.986,311 1,312 1,313 599,314 4.183,318 174.886,322 201.147,325 1.509,326 17.833,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 54.5,338 282,339 4.64,340 3.937,341 7.053,342 4.29,343 3.284,344 4.564,345 1.907,346 11.348,347 3.297,348 4.374,349 3.361,350 6.829,351 4.207,352 3.226,353 3.505,354 0.4,355 11.337,356 3.162,357 3.914,358 2.669,359 5.982,360 3.524,361 2.532,362 3.437,363 0.149,364 8.37,365 2.512,366 3.522,367 2.5,368 5.381,369 3.135,370 2.182,371 2.893,373 6.711,374 2.079,375 2.971,376 2.356,377 4.42,378 2.833,379 1.859,380 2.142,382 4.378,383 1.807,384 2.938,385 1.882,386 4.116,387 2.549,388 1.565,389 1.968,391 3.554,392 1.534,393 2.72,394 1.642,395 3.965,396 2.496,397 1.5,398 1.724,400 3.329,401 1.491,402 2.578,403 1.469,404 3.709,405 2.345,406 1.347,407 1.588,409 3.199,410 1.343,411 2.487,412 1.402,413 3.594,414 2.242,415 1.247,416 1.486,418 2.902,419 1.24,420 2.215,421 1.35,422 3.529,423 2.07,424 1.086,425 1.173,427 2.49,428 1.062,429 1.88,430 0.974,431 3.15,432 1.681,433 0.69,434 0.786,436 1.572,437 0.681,438 1.473,439 0.534,440 2.873,441 1.203,442 0.236,443 0.274,445 0.534,446 0.227,447 1.129,448 0.105,449 2.646,450 0.826,451 -0.143,452 -0.17,454 -0.351,455 -0.138,456 0.916,457 -0.201,458 2.404,459 0.538,460 -0.445,461 -0.568,463 -1.091,464 -0.436,465 0.628,466 -0.404,467 2.166,468 0.366,469 -0.625,470 -0.707,472 -1.429,473 -0.617,474 12.533,475 0.482,476 0.707,477 0.027,478 27.75,479 1.067,480 12,481 0.462,482 15.75,483 0.606,484 27.536,485 1.059,486 29.467,487 0.517,488 17.766,489 0.683,490 4.641,491 0.178,492 7.825,493 0.301,494 0.146,495 0.04,496 0.239,501 0.794,502 1.341,503 0.994,504 1.183,505 0.635,506 1.113,507 0.683,508 1.18,509 0.922,510 1.066,511 0.534,512 1.019,513 1.038,514 1.299,515 1.017,516 1.158,517 0.917,518 1.093,519 1.995,520 0.775,521 1.103,522 0.72,523 2.016,524 0.815,525 1.04,526 1.004,527 1.169,528 1.074,529 0.841,530 1.118,531 0.742,532 1.06,533 1.099,534 1.146,535 0.721,536 1.154,537 0.529,538 1.019,539 0.969,540 1.079,541 0.622,542 1.071,543 0.587,544 1.048,545 0.85,546 0.991,547 0.52,548 0.952,549 5,550 0.244,551 3.111,552 1.563,553 1.36,554 0.549,555 0.382,556 0.193,557 0.123,558 0.157,559 8212,560 16160,561 2.027,562 54.4,563 15,564 8,567 2,568 2,569 4,572 1.687,573 1.891,574 3.339,575 0.175,582 76.032,583 1.334,584 3.151,585 4.231,586 4.688,587 4.898,588 4.968,589 2.638,590 3.95,591 4.672,592 3.596,593 1168.66,594 8.074,595 15390,597 1,600 332.475,601 1.542,602 4.619,603 0.179,604 0.012,605 0.08,606 0.039,607 0.04,608 0.018,609 0.015,610 0.009,611 0.007,612 0.009,613 0.406,614 0.33,615 1,616 2.043,617 129.181,618 -0.014,619 -0.054,620 0.042,621 0.009,622 -0.028,623 0.027,624 0.131,625 -0.035,626 0.086,627 0.023,628 0.105,629 0.045,630 0.015,631 -0.232,632 -0.007,633 -0.145,634 0.057,635 -0.088,636 -0.252,637 0.221,638 -0.049,639 0.173,640 -0.23,641 0.093,642 -0.121,643 0.065,644 -0.174,645 -0.06,646 -0.106,647 -0.111,648 -0.067,649 -0.081,650 -0.148,651 -0.125,652 -0.07,653 -0.141,654 0.098,655 -0.111,656 -0.038,657 -0.092,658 0.025,659 -0.082,660 0.088,661 -0.163,662 0.084,663 -0.049,664 0.059,665 0.005,666 1.562,667 4.892,668 0.538,669 24.047,670 0.983,671 1.132,672 3.04,673 9.241,674 0.634,675 3.367,676 3.689,677 3.912,678 4.127,679 4.394,680 4.454,681 4.575,682 4.663,683 4.718,684 4.595,685 6.837,686 0.582,687 353.56,688 3.367,689 4.905,690 5.74,691 6.616,692 7.478,693 8.362,694 9.237,695 10.126,696 11.007,697 11.9,698 5.3,703 1,705 1,708 1,714 2,715 4,716 1,720 3,722 11,734 1,741 57,743 12,744 1,745 28,747 59,748 22,749 9,750 2,751 4,756 3,757 6,763 3,764 1,767 4,770 6,772 10,773 12,777 1,782 1,786 1,793 31,794 4,795 2,796 4,802 3,808 0.333,809 1,822 1,829 3,833 2,843 1,859 1,864 3,868 26,876 8,877 2,882 1,893 1.8,896 1,901 13.75,902 10.95,903 5.694,904 3.829,907 2.466,908 1.339,909 0.951,910 6.057,911 9.74,912 3.57,913 4.135,914 4.696,915 5.253,916 5.862,917 6.189,918 6.565,919 6.906,920 7.203,921 7.02,922 0.857,923 40,924 9.683,926 4.023,927 0.026,929 7.51,931 19.244,933 16.05,936 2.01,937 52.25,939 1,940 1,941 341.362,942 101.92,943 52.807,945 25.145,948 101.92,949 366.507,950 52.807,951 26.476,952 37.429,953 37.905,954 64.646,955 13.416,957 341.362,959 341.362,960 154.727,961 25.145,964 294.278,965 72.229,968 68.806,969 51.125,970 34.796,972 341.362,973 77.952,974 101.92,977 341.362,978 37.539,979 64.381,980 36.022,981 41.93,982 341.362,983 77.952,984 101.92,986 0.581,987 0.328,988 0.165,989 0.094,990 18,991 8,992 0.119,993 7,994 2,995 1.286,996 3.804,997 208.918,998 0.286,999 14,1000 115.457,1005 19.008,1006 8.285,1007 4.705,1008 2.322,1009 77.952,1010 8.43,1011 4.889,1015 3.968,1017 36.022,1018 521.234,1019 34.5,1024 11.892,1028 0.125,1031 56.003,1032 64.517,1034 0.229,1035 0.54,1036 0.725,1037 0.804,1038 0.84,1039 0.852,1040 4.818,1041 1.347,1042 5.753,1043 3.329,1044 4.369,1045 4.82,1046 1.997,1047 6.597,1048 4.339,1049 6.024,1050 1.247,1051 7.341,1052 3.199,1053 4.111,1054 4.771,1055 1.593,1056 7.803,1057 4.089,1058 7.349,1059 1.086,1060 9.054,1061 2.902,1062 6.038,1063 7.044,1064 2.907,1065 10.83,1066 5.985,1067 8.717,1068 0.69,1069 10.842,1070 2.49,1071 6.621,1072 7.838,1073 3.032,1074 12.829,1075 6.583,1076 10.124,1077 0.236,1078 12.676,1079 1.572,1080 8.065,1081 9.643,1082 4.038,1083 15.445,1084 8.004,1085 11.557,1086 -0.143,1087 14.541,1088 0.534,1089 9.004,1090 10.814,1091 4.409,1092 17.711,1093 8.953,1094 13.009,1095 -0.445,1096 16.425,1097 -0.351,1098 10.275,1099 12.439,1100 5.25,1101 20.203,1102 10.21,1103 3.284,1104 -0.625,1105 18.323,1106 -1.091,1107 11.358,1108 13.789,1109 5.75,1110 22.567,1111 11.297,1112 3.226,1113 11.348,1114 20.23,1115 -1.429,1116 12.568,1117 15.343,1118 6.501,1119 25.017,1120 12.497,1121 2.532,1122 11.337,1123 22.145,1124 4.564,1125 13.709,1126 16.78,1127 7.068,1128 27.418,1129 13.638,1130 2.182,1131 8.37,1132 24.064,1133 3.505,1134 14.897,1135 18.307,1136 7.771,1137 29.854,1138 14.821,1139 1.859,1140 6.711,1141 25.988,1142 3.437,1143 16.061,1144 19.785,1145 8.374,1146 32.271,1147 15.984,1148 1.565,1149 4.378,1150 27.914,1151 2.893,1152 17.244,1153 21.304,1154 9.051,1155 34.702,1156 17.162,1157 1.5,1158 3.554,1159 29.844,1160 2.142,1161 18.418,1162 22.802,1163 9.674,1164 37.125,1165 18.333,1166 8097,1167 11441,1168 18.375,1169 36.131,1170 41.851,1171 42.971,1172 42.347,1173 41.492,1174 41.506,1175 51.079,1176 4.912,1177 119.447,1178 40.865,1179 5.596,1180 5.937,1181 6.874,1182 5.33,1183 5.284,1184 7.564,1185 3.306,1186 18.879,1187 5.297,1188 13.648,1189 1.495,1190 1.535,1191 1.512,1192 1.482,1193 1.482,1194 1.824,1195 0.175,1196 4.266,1197 1.459,1198 4.113,1199 4.144,1200 4.073,1201 4.04,1202 7.428,1203 4.045,1204 3.826,1205 3.878,1206 3.722,1207 3.677,1208 4.972,1209 3.677,1210 3.732,1211 3.781,1212 3.617,1213 3.649,1214 4.414,1215 3.635,1216 3.657,1217 3.728,1218 3.495,1219 3.515,1220 4.313,1221 3.499,1222 3.366,1223 3.452,1224 3.218,1225 3.191,1226 4.235,1227 3.187,1228 3.201,1229 3.269,1230 3.064,1231 3.013,1232 4.062,1233 3.016,1234 3.12,1235 3.199,1236 2.972,1237 2.946,1238 3.97,1239 2.938,1240 2.941,1241 3.021,1242 2.747,1243 2.759,1244 3.722,1245 2.741,1246 0.166,1247 0.141,1248 0.252,1249 0.153,1250 0.117,1251 4.64,1252 0.163,1253 3.937,1254 0.068,1255 7.053,1256 0.405,1257 4.29,1258 0.118,1259 3.284,1260 4.564,1261 1.907,1262 11.348,1263 3.297,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.435,1269 2.163,1270 1.785,1271 1.735,1272 2.001,1273 1.969,1274 1.289,1275 1.979,1276 1.754,1277 1.709,1278 1.951,1279 1.873,1280 1.177,1281 1.903,1282 1.671,1283 1.604,1284 1.93,1285 1.851,1286 1.141,1287 1.881,1288 1.341,1289 1.27,1290 1.598,1291 1.589,1292 0.812,1293 1.599,1294 1.181,1295 1.109,1296 1.454,1297 1.379,1298 0.747,1299 1.395,1300 1.125,1301 1.047,1302 1.417,1303 1.343,1304 0.603,1305 1.381,1306 0.934,1307 0.852,1308 1.417,1309 1.239,1310 0.469,1311 1.308,1312 4.043,1314 5.361,1316 6.882,1318 8.504,1320 10.182,1322 5.838,1328 8.394,1329 6.706,1334 -0.312,1340 33.154,1341 76.032,1342 179.623,1343 241.191,1344 267.191,1345 279.191,1346 283.191,1347 48.423,1348 7.274,1349 54.02,1350 54.02,1351 18,1352 12.429,1353 3.7,1354 2.907,1355 44.624,1356 104,1357 98,1358 0.203,1359 206.437,1360 356.23,1361 495.465,1362 14626,1364 18.571,1365 0.714,1366 0.628,1367 18.571,1368 16.322,1369 12.465,1370 0.445,1371 0.353,1372 9.824,1373 12.203,1374 9.455,1375 7.941,1376 12.465,1377 9.893,1378 11.575,1379 0.297,1380 0.212,1381 11.575,1382 8.276,1383 9.044,1384 0.185,1385 0.103,1386 9.044,1387 5.041,1388 6.937,1389 0.114,1390 0.057,1391 6.937,1392 3.505,1393 5.891,1394 0.074,1395 0.033,1396 5.891,1397 2.626,1398 0.325,1399 76.686,1400 0.233,1401 25.436,1402 0.536,1403 134,1404 296.046,1405 141.71,1406 294.02,1407 408.53,1408 276,1409 155,1410 304.834,1411 163.487,1412 313.237,1413 457.09,1414 295,1415 7.666}
{0 CHEMBL271709,1 1.536,2 20.682,3 7.103,4 50.458,5 168.685,6 7.825,7 0.5,8 4.418,9 4.52,10 4.02,11 3.999,12 5.589,13 3.984,14 4.934,15 5.081,16 4.363,17 4.361,18 6.139,19 4.332,20 5.199,21 5.384,22 4.413,23 4.494,24 6.324,25 4.438,26 5.258,27 5.47,28 4.376,29 4.468,30 6.439,31 4.391,32 5.241,33 5.459,34 4.32,35 4.445,36 6.366,37 4.367,38 5.206,39 5.418,40 4.254,41 4.429,42 6.293,43 4.339,44 5.171,45 5.398,46 4.224,47 4.384,48 6.37,49 4.276,50 5.092,51 5.318,52 4.091,53 4.268,54 6.145,55 4.171,56 0.063,57 1.118,58 13.64,59 7.269,60 12.942,61 8.577,62 0.389,63 1.815,64 26.261,65 11.723,66 40.447,67 14.178,68 0.569,69 2.304,70 38.061,71 15.741,72 78.066,73 19.015,74 0.789,75 2.427,76 42.689,77 16.872,78 115.636,79 21.512,80 0.7,81 2.239,82 42.689,83 16.61,84 104.67,85 21.007,86 0.675,87 2.128,88 40.532,89 16.028,90 93.712,91 20.32,92 0.816,93 2.094,94 39.654,95 15.914,96 129.652,97 21.389,98 0.624,99 1.87,100 37.372,101 14.474,102 90.201,103 18.567,104 27,105 65,106 0.233,107 0.539,108 0.722,109 0.836,110 0.859,111 0.863,112 3.809,113 0.896,114 -6.9,115 -6.71,116 -6.21,121 47.4,122 1,127 5,137 3,138 1,144 15,145 5,146 4,160 2,176 21,179 1,180 10,183 1,185 1,187 26,192 11,195 1,197 1,200 18,205 1,206 13,211 1,214 12,218 1,219 11,224 4,227 16,231 1,232 6,237 1,239 19,244 6,247 1,249 2,251 19,255 2,256 6,261 1,264 15,268 1,269 5,272 1,274 1,277 12,281 4926,282 29.85,283 29.85,284 29.85,285 29.85,286 29.85,287 26.354,288 30.594,289 17.896,290 30.378,291 23.702,292 23.702,293 23.702,294 23.702,295 23.702,296 18.294,297 36.44,298 8.559,299 24.516,300 4.712,301 2.701,302 1.495,303 0.74,304 0.589,305 0.563,306 4.513,313 1959,314 4.528,318 813.523,322 241.984,325 3.878,326 53.742,329 0.5,330 0.5,331 0.5,332 0.4,333 0.5,334 0.5,335 0.5,336 0.49,337 96,338 910,339 4.477,340 3.727,341 6.535,342 4.099,343 3.118,344 4.086,345 1.674,346 10.312,347 3.06,348 4.182,349 3.456,350 6.091,351 3.761,352 2.785,353 3.838,354 1.058,355 8.882,356 2.718,357 4.151,358 3.112,359 5.667,360 3.744,361 2.775,362 3.757,363 0.995,364 7.93,365 2.687,366 3.954,367 3.08,368 5.661,369 3.653,370 2.686,371 3.458,372 0.86,373 7.924,374 2.6,375 3.84,376 3.023,377 5.351,378 3.446,379 2.454,380 3.285,381 0.359,382 6.986,383 2.434,384 3.746,385 2.733,386 5.252,387 3.377,388 2.378,389 3.023,391 6.65,392 2.359,393 3.532,394 2.636,395 5.059,396 3.184,397 2.243,398 2.824,400 6.157,401 2.099,402 3.371,403 2.592,404 5.044,405 3.044,406 2.08,407 2.558,409 5.827,410 1.99,411 3.326,412 2.509,413 4.827,414 2.939,415 1.971,416 2.548,418 5.478,419 1.889,420 3.232,421 2.209,422 4.815,423 2.851,424 1.879,425 2.481,427 5.369,428 1.81,429 3.194,430 2.191,431 4.618,432 2.787,433 1.879,434 2.314,436 4.963,437 1.678,438 2.955,439 1.791,440 4.502,441 2.515,442 1.544,443 2.097,445 4.465,446 1.488,447 2.817,448 1.771,449 3.668,450 2.406,451 1.413,452 1.922,454 3.022,455 1.401,456 2.57,457 1.514,458 3.601,459 2.36,460 1.405,461 1.54,463 3.002,464 1.33,465 2.5,466 1.218,467 3.582,468 2,469 1,470 1.5,472 2.356,473 1,474 20.705,475 0.471,476 0.988,477 0.022,478 58.25,479 1.324,480 31,481 0.705,482 27.25,483 0.619,484 37.359,485 0.849,486 46.495,487 0.612,488 51.81,489 1.178,490 12.136,491 0.276,492 9.22,493 0.21,494 0.084,496 0.309,499 2,501 0.629,502 1.01,503 0.715,504 1.026,505 0.536,506 0.919,507 0.756,508 0.971,509 0.859,510 0.997,511 0.538,512 0.955,513 1.024,514 1.006,515 1.031,516 1.04,517 0.907,518 1.034,519 0.768,520 0.916,521 0.922,522 1.034,523 0.694,524 1.021,525 0.918,526 0.871,527 0.961,528 0.966,529 0.895,530 0.97,531 0.871,532 0.847,533 1.032,534 1.003,535 0.828,536 1.045,537 0.451,538 0.788,539 0.862,540 1.03,541 0.443,542 1.048,543 0.874,544 0.822,545 0.985,546 0.971,547 0.927,548 1.002,549 9.5,550 0.26,551 3.556,552 2.688,553 2.484,554 1.111,555 1.031,556 0.531,557 0.43,558 0.351,559 43752,560 125336,561 2.084,562 42.1,564 28,567 1,569 3,572 1.814,573 1.97,574 4.276,575 -0.445,582 116.725,583 1.536,584 3.547,585 4.753,586 5.508,587 5.659,588 5.685,589 3.766,590 4.806,591 5.424,592 4.541,593 4295.51,594 9.562,595 91079.5,600 474.842,601 1.325,602 5.399,603 0.198,604 0.006,605 0.055,606 0.041,607 0.041,608 0.019,609 0.019,610 0.01,611 0.009,612 0.008,613 0.405,614 0.17,615 0.5,616 0.605,617 266.043,618 -0.02,619 -0.056,620 0.04,621 -0.025,622 -0.038,623 0.012,624 0.029,625 -0.02,626 -0.004,627 -0.026,628 0.072,629 -0.02,630 -0.086,631 -0.028,632 -0.091,633 -0.058,634 -0.071,635 -0.07,636 0.095,637 -0.041,638 0.05,639 -0.058,640 0.116,641 -0.025,642 -0.025,643 -0.001,644 0.023,645 0.012,646 -0.009,647 0.028,648 -0.041,649 -0.025,650 -0.069,651 -0.029,652 -0.05,653 -0.049,654 0.247,655 0.028,656 0.1,657 -0.044,658 0.238,659 -0.021,660 -0.016,661 -0.006,662 0.007,663 0.006,664 -0.077,665 0.008,666 2.385,667 5.883,668 0.636,669 86.041,670 1.009,671 1.12,672 5.673,673 32.186,674 0.683,675 3.892,676 4.19,677 4.407,678 4.654,679 4.883,680 4.92,681 5.037,682 5.176,683 5.293,684 5.333,685 12.066,686 0.659,687 594.7,688 3.892,689 5.425,690 6.252,691 7.112,692 7.954,693 8.819,694 9.669,695 10.537,696 11.392,697 12.263,698 2.6,701 1,705 1,715 15,720 9,722 24,739 1,740 2,741 76,743 28,744 4,745 48,747 80,748 36,749 24,750 9,751 15,752 6,756 5,757 6,763 1,772 30,773 6,777 4,782 2,784 3,786 3,791 2,793 32,794 8,795 1,796 8,802 2,808 0.8,809 4,829 5,833 1,843 1,846 1,849 3,850 1,855 1,859 4,864 1,866 2,868 44,876 5,877 1,878 2,881 1,892 2,893 5.3,896 2,898 2,901 22.333,902 13.902,903 9.75,904 4.594,907 4.933,908 1.557,909 0.992,910 10.344,911 13.79,912 4.174,913 4.736,914 5.263,915 5.794,916 6.338,917 6.521,918 6.861,919 7.229,920 7.577,921 7.785,922 0.929,923 66,924 16.361,926 7.005,927 0.026,929 7.932,931 30.684,933 24.814,936 2.432,937 107,941 364.904,942 252.151,943 21.135,945 72.29,946 29.92,948 252.151,949 437.194,950 51.055,951 8.825,952 31.026,953 170.572,954 62.186,955 72.966,956 29.92,957 364.904,959 364.904,960 273.286,961 102.21,964 359.511,965 107.603,968 42.975,969 201.882,970 28.429,972 394.824,973 93.425,974 252.151,977 364.904,978 72.754,979 182.522,980 18.011,981 102.21,982 364.904,983 123.345,984 252.151,986 0.574,987 0.323,988 0.174,989 0.097,990 28,991 13,992 0.15,993 12,994 1,995 1.071,996 5.579,997 419.38,998 0.071,999 28,1000 226.215,1005 30.872,1006 14.743,1007 8.736,1009 123.345,1010 26.579,1015 3.637,1017 18.011,1018 740.4,1019 64,1024 24.895,1026 4.323,1028 -0.4,1031 76.676,1032 85.157,1034 0.246,1035 0.568,1036 0.761,1037 0.882,1038 0.906,1039 0.91,1040 5.398,1041 2.08,1042 6.217,1043 6.157,1044 4.875,1045 5.425,1046 2.516,1047 6.967,1048 4.813,1049 6.59,1050 1.971,1051 7.734,1052 5.827,1053 4.369,1054 5.103,1055 0.325,1056 7.703,1057 4.271,1058 7.876,1059 1.879,1060 9.344,1061 5.478,1062 6.415,1063 7.547,1064 3.081,1065 10.773,1066 6.302,1067 9.192,1068 1.879,1069 11.007,1070 5.369,1071 6.686,1072 7.99,1073 0.504,1074 12.322,1075 6.545,1076 10.536,1077 1.544,1078 12.705,1079 4.963,1080 8.195,1081 9.917,1082 3.91,1083 14.904,1084 8.04,1085 11.899,1086 1.413,1087 14.429,1088 4.465,1089 8.854,1090 10.747,1091 0.585,1092 16.841,1093 8.674,1094 13.278,1095 1.405,1096 16.172,1097 3.022,1098 10.126,1099 12.428,1100 4.863,1101 19.242,1102 9.933,1103 3.118,1104 1,1105 17.93,1106 3.002,1107 10.993,1108 13.48,1109 0.622,1110 21.373,1111 10.776,1112 2.785,1113 10.312,1114 19.703,1115 2.356,1116 12.158,1117 15.027,1118 5.865,1119 23.709,1120 11.927,1121 2.775,1122 8.882,1123 21.487,1124 4.086,1125 13.136,1126 16.211,1127 0.639,1128 25.935,1129 12.882,1130 2.686,1131 7.93,1132 23.281,1133 3.838,1134 14.257,1135 17.683,1136 6.885,1137 28.251,1138 13.987,1139 2.454,1140 7.924,1141 25.084,1142 3.757,1143 15.294,1144 18.945,1145 0.646,1146 30.524,1147 15.004,1148 2.378,1149 6.986,1150 26.895,1151 3.458,1152 16.4,1153 20.376,1154 7.912,1155 32.838,1156 16.093,1157 2.243,1158 6.65,1159 28.713,1160 3.285,1161 17.47,1162 21.686,1163 0.648,1164 35.136,1165 17.144,1166 41109,1167 70090,1168 32.304,1169 51.887,1170 71.183,1171 72.952,1172 71.538,1173 70.275,1174 70.119,1175 92.016,1176 9.892,1177 193.967,1178 67.835,1179 5.386,1180 5.727,1181 6.337,1182 5.197,1183 5.118,1184 7.086,1185 3.349,1186 17.143,1187 5.06,1188 21.896,1189 1.483,1190 1.52,1191 1.49,1192 1.464,1193 1.461,1194 1.917,1195 0.206,1196 4.041,1197 1.413,1198 4.053,1199 4.071,1200 4.009,1201 3.981,1202 8.211,1203 3.984,1204 3.942,1205 3.965,1206 3.904,1207 3.868,1208 8.191,1209 3.871,1210 3.923,1211 3.954,1212 3.855,1213 3.85,1214 7.434,1215 3.846,1216 3.861,1217 3.885,1218 3.798,1219 3.801,1220 7.429,1221 3.798,1222 3.669,1223 3.717,1224 3.591,1225 3.471,1226 4.913,1227 3.491,1228 3.593,1229 3.66,1230 3.492,1231 3.427,1232 4.763,1233 3.434,1234 3.466,1235 3.487,1236 3.374,1237 3.309,1238 4.713,1239 3.315,1240 3.348,1241 3.393,1242 3.227,1243 3.202,1244 4.581,1245 3.198,1246 0.093,1247 0.078,1248 0.136,1249 0.085,1250 0.065,1251 4.477,1252 0.085,1253 3.727,1254 0.035,1255 6.535,1256 0.215,1257 4.099,1258 0.064,1259 3.118,1260 4.086,1261 1.674,1262 10.312,1263 3.06,1264 1.994,1265 1.98,1266 2.086,1267 2.081,1268 1.264,1269 2.081,1270 1.918,1271 1.888,1272 2.04,1273 2.021,1274 1.171,1275 2.027,1276 1.905,1277 1.885,1278 1.991,1279 2.002,1280 1.095,1281 1.998,1282 1.858,1283 1.837,1284 1.966,1285 1.946,1286 1.08,1287 1.955,1288 1.594,1289 1.545,1290 1.836,1291 1.827,1292 1.016,1293 1.819,1294 1.568,1295 1.504,1296 1.786,1297 1.773,1298 0.981,1299 1.79,1300 1.415,1301 1.386,1302 1.578,1303 1.596,1304 0.736,1305 1.584,1306 1.335,1307 1.285,1308 1.547,1309 1.502,1310 0.605,1311 1.516,1312 4.575,1314 5.878,1316 7.365,1318 8.939,1320 10.561,1322 2.146,1324 26.548,1328 2.947,1329 2.638,1330 11.327,1333 2.359,1340 50.097,1341 116.725,1342 269.565,1343 361.22,1344 418.578,1345 430.088,1346 432.088,1347 107.106,1348 8.857,1349 71.78,1350 71.78,1351 30,1352 12.809,1353 4.858,1354 4.087,1355 74.761,1356 321,1357 284,1358 0.11,1359 304.259,1360 553.02,1361 734.153,1362 122761,1363 2.6,1364 30.89,1365 0.702,1366 0.551,1367 29.15,1368 24.264,1369 21.356,1370 0.445,1371 0.299,1372 14.152,1373 20.55,1374 13.848,1375 11.471,1376 20.568,1377 14.344,1378 19.093,1379 0.294,1380 0.159,1381 17.813,1382 10.309,1383 15.264,1384 0.188,1385 0.087,1386 14.713,1387 7.057,1388 12.763,1389 0.123,1390 0.046,1391 11.89,1392 4.797,1393 10.322,1394 0.079,1395 0.025,1396 10.041,1397 3.297,1398 0.184,1399 133.812,1400 0.176,1401 40.471,1402 0.273,1403 226,1404 787.142,1405 249.753,1406 705.394,1407 938.22,1408 658,1409 259,1410 666.469,1411 280.334,1412 663.546,1413 964.22,1414 624,1415 5.34}
{0 CHEMBL271710,1 1.528,2 21.227,3 7.127,4 50.788,5 167.517,6 7.65,7 0.5,8 4.441,9 4.546,10 4.023,11 4.013,12 5.584,13 3.994,14 4.973,15 5.128,16 4.368,17 4.384,18 6.126,19 4.348,20 5.247,21 5.439,22 4.447,23 4.52,24 6.435,25 4.459,26 5.306,27 5.525,28 4.338,29 4.5,30 6.361,31 4.409,32 5.295,33 5.524,34 4.324,35 4.479,36 6.356,37 4.388,38 5.261,39 5.482,40 4.262,41 4.451,42 6.338,43 4.357,44 5.199,45 5.431,46 4.198,47 4.396,48 6.303,49 4.285,50 5.111,51 5.336,52 4.13,53 4.284,54 6.247,55 4.185,56 0.053,57 1.156,58 14.69,59 7.612,60 12.712,61 9.151,62 0.381,63 1.885,64 28.472,65 12.411,66 42.542,67 15.375,68 0.729,69 2.507,70 41.26,71 16.501,72 112.941,73 20.488,74 0.68,75 2.389,76 45.603,77 17.618,78 96.252,79 22.661,80 0.673,81 2.303,82 45.889,83 17.589,84 104.772,85 22.965,86 0.745,87 2.258,88 44.235,89 16.871,90 106.346,91 21.514,92 0.701,93 2.136,94 41.489,95 16.304,96 109.073,97 21.671,98 0.75,99 1.908,100 38.246,101 14.648,102 113.387,103 19.232,104 27,105 65,106 0.231,107 0.539,108 0.722,109 0.84,110 0.873,111 0.877,112 3.809,113 0.915,114 -6.97,115 -6.77,116 -6.27,121 46.2,122 1,123 2,127 5,137 1,138 1,144 15,145 5,146 4,160 2,176 22,179 1,180 10,183 1,185 1,187 25,192 11,195 1,197 1,200 19,205 1,206 13,211 1,214 12,218 1,219 11,224 4,227 15,231 1,232 7,237 2,239 19,244 5,247 1,249 1,251 19,255 2,256 6,261 1,264 15,268 1,269 6,272 1,274 1,277 12,281 4952,282 29.902,283 29.902,284 29.902,285 29.902,286 29.902,287 26.484,288 32.144,289 17.853,290 30.41,291 23.653,292 23.653,293 23.653,294 23.653,295 23.653,296 18.449,297 37.427,298 8.501,299 24.459,300 4.758,301 2.729,302 1.519,303 0.742,304 0.522,305 0.497,306 4.513,313 2012,314 4.528,318 815.425,322 242.905,325 3.864,326 53.933,329 0.5,330 0.5,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.51,337 96,338 934,339 4.477,340 3.727,341 6.535,342 4.099,343 3.118,344 4.086,345 1.907,346 10.312,347 3.06,348 4.216,349 3.579,350 6.091,351 3.785,352 2.831,353 3.87,354 1.674,355 8.882,356 2.718,357 4.151,358 3.296,359 5.951,360 3.761,361 2.785,362 3.757,363 0.995,364 8.325,365 2.701,366 3.954,367 3.08,368 5.661,369 3.653,370 2.686,371 3.458,372 0.86,373 7.924,374 2.6,375 3.84,376 3.023,377 5.351,378 3.446,379 2.454,380 3.285,381 0.359,382 6.986,383 2.434,384 3.684,385 2.733,386 5.254,387 3.404,388 2.409,389 2.901,390 0.149,391 6.651,392 2.378,393 3.532,394 2.636,395 5.245,396 3.187,397 2.248,398 2.824,400 6.546,401 2.101,402 3.464,403 2.57,404 5.044,405 3.103,406 2.129,407 2.725,409 5.899,410 2.047,411 3.37,412 2.509,413 4.975,414 3.042,415 2.077,416 2.549,418 5.826,419 1.989,420 3.194,421 2.191,422 4.827,423 2.851,424 1.879,425 2.314,427 5.369,428 1.81,429 2.955,430 2.1,431 4.502,432 2.515,433 1.544,434 2.097,436 4.465,437 1.488,438 2.82,439 1.792,440 4.042,441 2.406,442 1.415,443 1.949,445 3.526,446 1.401,447 2.817,448 1.771,449 3.668,450 2.365,451 1.414,452 1.922,454 3.022,455 1.335,456 2.548,457 1.514,458 3.604,459 2.353,460 1.408,461 1.517,463 3.008,464 1.311,465 2.5,466 1.22,467 3.582,468 2,469 1,470 1.5,472 2.357,473 1,474 20.705,475 0.471,476 0.971,477 0.022,478 56.75,479 1.29,480 29.5,481 0.67,482 27.25,483 0.619,484 39.28,485 0.893,486 47.095,487 0.604,488 49.789,489 1.132,490 11.654,491 0.265,492 9.718,493 0.221,494 0.084,496 0.309,499 2,501 0.628,502 1.032,503 0.733,504 1.052,505 0.528,506 0.945,507 0.741,508 0.981,509 0.864,510 1.014,511 0.551,512 0.971,513 0.926,514 0.962,515 0.991,516 1.036,517 0.79,518 1.028,519 0.896,520 0.931,521 1.011,522 1.035,523 0.865,524 1.045,525 0.83,526 0.846,527 0.916,528 0.96,529 0.812,530 0.958,531 0.977,532 0.866,533 1.052,534 0.974,535 0.927,536 1.017,537 0.653,538 0.839,539 0.93,540 1.016,541 0.646,542 1.036,543 0.745,544 0.806,545 0.94,546 0.991,547 0.786,548 1.014,549 9,550 0.277,551 4.222,552 2.313,553 2.484,554 1.167,555 0.989,556 0.563,557 0.43,558 0.351,559 43908,560 123237,561 2.084,562 43.6,563 2,564 26,567 1,568 2,569 3,572 1.814,573 1.97,574 4.318,575 -0.445,582 119.17,583 1.528,584 3.557,585 4.766,586 5.543,587 5.763,588 5.789,589 3.856,590 4.942,591 5.424,592 4.552,593 4306.37,594 9.561,595 91402.8,600 490.261,601 1.325,602 5.399,603 0.188,604 0.006,605 0.065,606 0.035,607 0.042,608 0.02,609 0.018,610 0.011,611 0.009,612 0.008,613 0.401,614 0.17,615 0.5,616 0.605,617 266.19,618 -0.017,619 -0.057,620 0.042,621 -0.025,622 -0.028,623 0.013,624 0.035,625 -0.024,626 0.005,627 -0.027,628 0.052,629 -0.017,630 0.021,631 0.016,632 -0.043,633 -0.052,634 0.067,635 -0.06,636 -0.029,637 -0.056,638 -0.042,639 -0.06,640 -0.042,641 -0.054,642 0.001,643 -0.01,644 0.06,645 0.016,646 0.004,647 0.046,648 -0.064,649 0.009,650 -0.072,651 0.002,652 -0.066,653 -0.027,654 0.103,655 0.01,656 0.033,657 -0.03,658 0.083,659 -0.021,660 0.116,661 0.02,662 0.039,663 -0.014,664 0.066,665 -0.013,666 2.596,667 5.889,668 0.636,669 86.686,670 1.007,671 1.123,672 5.74,673 32.951,674 0.675,675 3.892,676 4.19,677 4.419,678 4.635,679 4.89,680 4.913,681 5.037,682 5.187,683 5.288,684 5.333,685 12.119,686 0.649,687 596.72,688 3.892,689 5.425,690 6.256,691 7.112,692 7.959,693 8.82,694 9.674,695 10.538,696 11.398,697 12.265,698 2.6,701 1,705 1,715 15,720 9,722 24,739 1,740 2,741 78,743 27,744 4,745 48,747 82,748 36,749 24,750 9,751 15,752 3,756 5,757 6,763 1,770 2,772 28,773 8,777 3,782 2,784 1,786 3,791 2,793 34,794 8,795 1,796 8,802 2,808 0.8,809 4,829 5,833 1,843 1,846 1,849 1,850 1,855 1,859 4,864 1,866 2,868 44,876 7,877 1,878 2,881 1,892 2,893 5.1,896 2,898 2,901 22.333,902 14.236,903 9.778,904 4.823,907 4.364,908 1.493,909 0.988,910 10.554,911 13.22,912 4.159,913 4.718,914 5.234,915 5.744,916 6.298,917 6.451,918 6.778,919 7.18,920 7.512,921 7.753,922 1,923 67,924 16.398,926 7.039,927 0.026,929 7.909,931 30.903,933 25.154,936 2.409,937 106,941 388.446,942 238.268,943 21.135,945 72.29,946 29.92,948 238.268,949 460.736,950 51.055,951 8.825,952 36.095,953 151.62,954 62.186,955 72.966,956 29.92,957 388.446,959 388.446,960 259.403,961 102.21,964 383.053,965 107.603,968 48.045,969 201.882,970 9.476,972 418.367,973 93.425,974 238.268,977 388.446,978 77.823,979 163.569,980 18.011,981 102.21,982 388.446,983 123.345,984 238.268,986 0.575,987 0.33,988 0.169,989 0.097,990 28,991 13,992 0.159,993 13,994 1,995 1.071,996 5.584,997 418.994,998 0.071,999 28,1000 232.215,1005 31.124,1006 14.92,1007 8.634,1009 123.345,1010 27.255,1015 3.605,1017 18.011,1018 750.059,1019 63,1024 24.991,1026 1.82,1028 -0.173,1031 78.559,1032 87.572,1034 0.243,1035 0.566,1036 0.758,1037 0.882,1038 0.917,1039 0.921,1040 5.384,1041 2.129,1042 6.221,1043 6.546,1044 4.875,1045 5.407,1046 2.784,1047 6.974,1048 4.813,1049 6.572,1050 2.077,1051 7.745,1052 5.899,1053 4.369,1054 5.103,1055 1.668,1056 7.735,1057 4.271,1058 7.86,1059 1.879,1060 9.362,1061 5.826,1062 6.422,1063 7.526,1064 3.598,1065 10.798,1066 6.306,1067 9.178,1068 1.544,1069 11.035,1070 5.369,1071 6.711,1072 7.998,1073 3.063,1074 12.369,1075 6.559,1076 10.525,1077 1.415,1078 12.743,1079 4.465,1080 8.215,1081 9.905,1082 4.633,1083 14.942,1084 8.05,1085 11.892,1086 1.414,1087 14.476,1088 3.526,1089 8.889,1090 10.759,1091 4.419,1092 16.887,1093 8.69,1094 13.275,1095 1.408,1096 16.228,1097 3.022,1098 10.157,1099 12.428,1100 5.755,1101 19.283,1102 9.946,1103 3.118,1104 1,1105 17.994,1106 3.008,1107 11.034,1108 13.496,1109 5.752,1110 21.412,1111 10.792,1112 2.831,1113 10.312,1114 19.772,1115 2.357,1116 12.197,1117 15.036,1118 6.922,1119 23.744,1120 11.94,1121 2.785,1122 8.882,1123 21.56,1124 4.086,1125 13.18,1126 16.23,1127 7.069,1128 25.967,1129 12.896,1130 2.686,1131 8.325,1132 23.357,1133 3.87,1134 14.299,1135 17.699,1136 8.115,1137 28.28,1138 14,1139 2.454,1140 7.924,1141 25.163,1142 3.757,1143 15.338,1144 18.968,1145 8.375,1146 30.549,1147 15.016,1148 2.409,1149 6.986,1150 26.975,1151 3.458,1152 16.443,1153 20.398,1154 9.328,1155 32.86,1156 16.104,1157 2.248,1158 6.651,1159 28.793,1160 3.285,1161 17.514,1162 21.712,1163 9.674,1164 35.154,1165 17.155,1166 41258,1167 69574,1168 32.304,1169 52.648,1170 70.563,1171 73.331,1172 71.72,1173 70.078,1174 70.046,1175 90.952,1176 11.888,1177 194.223,1178 67.791,1179 5.419,1180 5.727,1181 6.337,1182 5.197,1183 5.118,1184 7.086,1185 3.581,1186 17.143,1187 5.06,1188 21.949,1189 1.47,1190 1.528,1191 1.494,1192 1.46,1193 1.459,1194 1.895,1195 0.248,1196 4.046,1197 1.412,1198 4.053,1199 4.072,1200 4.009,1201 3.981,1202 8.24,1203 3.984,1204 3.944,1205 3.969,1206 3.899,1207 3.866,1208 8.161,1209 3.867,1210 3.923,1211 3.955,1212 3.855,1213 3.849,1214 7.434,1215 3.846,1216 3.861,1217 3.885,1218 3.798,1219 3.801,1220 7.428,1221 3.798,1222 3.679,1223 3.729,1224 3.592,1225 3.474,1226 4.913,1227 3.492,1228 3.595,1229 3.662,1230 3.492,1231 3.427,1232 4.763,1233 3.434,1234 3.473,1235 3.504,1236 3.374,1237 3.309,1238 4.713,1239 3.315,1240 3.362,1241 3.411,1242 3.229,1243 3.204,1244 4.544,1245 3.198,1246 0.093,1247 0.078,1248 0.136,1249 0.085,1250 0.065,1251 4.477,1252 0.085,1253 3.727,1254 0.04,1255 6.535,1256 0.215,1257 4.099,1258 0.064,1259 3.118,1260 4.086,1261 1.907,1262 10.312,1263 3.06,1264 1.994,1265 1.98,1266 2.086,1267 2.081,1268 1.264,1269 2.081,1270 1.918,1271 1.888,1272 2.04,1273 2.022,1274 1.235,1275 2.027,1276 1.91,1277 1.885,1278 2.022,1279 2.014,1280 1.171,1281 2.016,1282 1.858,1283 1.837,1284 1.966,1285 1.946,1286 1.092,1287 1.956,1288 1.605,1289 1.554,1290 1.836,1291 1.84,1292 1.019,1293 1.83,1294 1.573,1295 1.507,1296 1.799,1297 1.775,1298 0.982,1299 1.795,1300 1.427,1301 1.391,1302 1.656,1303 1.629,1304 0.855,1305 1.634,1306 1.349,1307 1.295,1308 1.556,1309 1.522,1310 0.736,1311 1.531,1312 4.575,1314 5.878,1316 7.368,1318 8.945,1320 10.568,1322 2.149,1324 26.373,1328 3.507,1329 2.741,1330 11.367,1333 2.363,1340 50.624,1341 119.17,1342 277.416,1343 371.784,1344 432.387,1345 449.506,1346 451.506,1347 109.09,1348 8.857,1349 71.78,1350 71.78,1351 30,1352 12.812,1353 4.807,1354 4,1355 74.773,1356 322,1357 316,1358 0.109,1359 307.187,1360 555.66,1361 741.296,1362 122761,1363 2.6,1364 30.89,1365 0.702,1366 0.557,1367 29.15,1368 24.523,1369 21.373,1370 0.445,1371 0.305,1372 14.455,1373 20.582,1374 14.146,1375 11.697,1376 20.568,1377 14.646,1378 18.943,1379 0.291,1380 0.163,1381 17.813,1382 10.58,1383 15.695,1384 0.191,1385 0.09,1386 14.713,1387 7.392,1388 12.335,1389 0.121,1390 0.049,1391 11.89,1392 4.952,1393 10.461,1394 0.079,1395 0.026,1396 10.041,1397 3.483,1398 0.183,1399 133.913,1400 0.176,1401 40.5,1402 0.271,1403 226,1404 777.142,1405 249.753,1406 694.151,1407 922.98,1408 648,1409 260,1410 654.469,1411 282.837,1412 650.193,1413 947.48,1414 612,1415 6.485}
{0 CHEMBL271746,1 1.552,2 13.1,3 4.131,4 17.064,5 115.557,6 6.909,7 0.344,8 4.171,9 4.301,10 3.66,11 3.654,12 5.236,13 3.621,14 4.749,15 4.936,16 4.007,17 4.074,18 5.886,19 4.006,20 5.043,21 5.278,22 4.085,23 4.236,24 5.974,25 4.141,26 5.175,27 5.433,28 4.009,29 4.2,30 6.167,31 4.102,32 5.015,33 5.252,34 3.972,35 4.189,36 5.988,37 4.082,38 5.125,39 5.373,40 3.831,41 4.187,42 6.24,43 4.033,44 5.026,45 5.316,46 3.58,47 4.068,48 5.777,49 3.868,50 4.918,51 5.221,52 3.466,53 3.873,54 5.69,55 3.686,56 0.183,57 0.867,58 13.702,59 5.612,60 11.207,61 7.833,62 0.519,63 1.376,64 25.908,65 9.527,66 75.984,67 13.776,68 0.257,69 1.732,70 35.278,71 11.86,72 42.179,73 18.091,74 0.964,75 1.749,76 43.139,77 11.413,78 116.659,79 17.832,80 0.467,81 1.64,82 34.809,83 11.443,84 48.987,85 17.071,86 0.864,87 1.622,88 40.26,89 13.055,90 153.108,91 19.14,92 0.42,93 1.465,94 36.029,95 12.383,96 61.506,97 18.771,98 0.396,99 1.267,100 32.953,101 10.09,102 59.655,103 15.897,104 37,105 44,106 0.253,107 0.566,108 0.746,109 0.817,110 0.849,111 0.86,112 3.44,113 0.992,114 -4.11,115 -4.06,116 -3.84,121 36.7,122 2,123 6,125 1,127 3,144 4,145 2,146 1,148 2,160 1,168 3,176 11,179 3,180 6,183 1,185 5,187 10,192 9,197 6,200 6,205 1,206 7,209 2,211 4,214 9,218 1,219 5,222 1,223 1,224 2,227 15,231 2,232 2,235 2,239 14,244 3,247 1,249 3,251 8,256 3,261 4,264 2,269 4,272 2,274 4,277 2,281 1504,282 19.905,283 19.905,284 19.905,285 19.905,286 19.905,287 18.111,288 22.161,289 12.001,290 20.091,291 15.798,292 15.798,293 15.798,294 15.798,295 15.798,296 12.96,297 23.817,298 5.701,299 16.1,300 4.355,301 2.434,302 1.325,303 0.892,304 0.692,305 0.625,306 4.122,311 1,312 1,313 832,314 4.743,318 220.699,322 254.081,325 1.833,326 32.583,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 66,338 393,339 4.64,340 4.678,341 7.248,342 4.352,343 3.352,344 4.564,345 4.929,346 12.144,347 3.348,348 4.433,349 3.958,350 6.829,351 4.207,352 3.226,353 3.565,354 1.907,355 11.348,356 3.162,357 3.914,358 3.361,359 5.982,360 3.524,361 2.532,362 3.437,363 0.4,364 8.37,365 2.512,366 3.815,367 2.669,368 5.381,369 3.174,370 2.192,371 3.312,372 0.341,373 6.711,374 2.15,375 3.522,376 2.62,377 4.786,378 3.135,379 2.18,380 2.893,381 0.149,382 5.203,383 2.078,384 3.015,385 2.356,386 4.513,387 2.842,388 1.866,389 2.142,391 4.48,392 1.815,393 2.939,394 1.999,395 4.116,396 2.566,397 1.579,398 2.017,400 3.569,401 1.55,402 2.733,403 1.881,404 3.968,405 2.502,406 1.506,407 1.739,409 3.329,410 1.496,411 2.581,412 1.642,413 3.731,414 2.345,415 1.347,416 1.594,418 3.209,419 1.343,420 2.487,421 1.469,422 3.594,423 2.242,424 1.247,425 1.486,427 2.902,428 1.24,429 2.22,430 1.402,431 3.551,432 2.081,433 1.102,434 1.184,436 2.514,437 1.072,438 1.884,439 1.35,440 3.272,441 1.69,442 0.709,443 0.8,445 1.618,446 0.692,447 1.7,448 1,449 3,450 1.411,451 0.509,452 0.572,454 1.126,455 0.454,456 1.472,457 0.975,458 2.85,459 1.197,460 0.229,461 0.267,463 0.518,464 0.22,465 1.129,466 0.645,467 2.613,468 0.826,469 -0.144,470 -0.172,472 -0.353,473 -0.139,474 13.933,475 0.464,476 0.79,477 0.026,478 33.75,479 1.125,480 15,481 0.5,482 18.75,483 0.625,484 30.324,485 1.011,486 34.667,487 0.578,488 25.074,489 0.836,490 6.1,491 0.203,492 8.282,493 0.276,494 0.144,495 0.036,496 0.244,501 0.483,502 1.288,503 0.84,504 1.179,505 0.502,506 1.09,507 0.475,508 1.169,509 0.852,510 1.08,511 0.33,512 1.04,513 0.649,514 1.307,515 0.901,516 1.196,517 0.513,518 1.101,519 1.293,520 0.819,521 1.104,522 0.75,523 1.193,524 0.864,525 0.805,526 0.999,527 1.078,528 1.102,529 0.698,530 1.119,531 0.946,532 0.971,533 1.157,534 1.079,535 1.092,536 1.157,537 0.536,538 1.023,539 0.945,540 1.109,541 0.523,542 1.111,543 0.692,544 1.036,545 0.883,546 1.004,547 0.653,548 0.986,549 6,550 0.26,551 3.778,552 1.938,553 1.76,554 0.715,555 0.423,556 0.224,557 0.148,558 0.177,559 12648,560 35598,561 2.004,562 50,563 12,564 10,567 2,568 2,569 4,572 1.723,573 1.865,574 3.589,575 0.243,577 1,582 93.099,583 1.552,584 3.473,585 4.582,586 5.015,587 5.215,588 5.282,589 2.991,590 4.148,591 4.882,592 3.857,593 1677.88,594 8.483,595 25083.3,597 1,600 354.413,601 1.549,602 4.824,603 0.188,604 0.01,605 0.086,606 0.042,607 0.043,608 0.018,609 0.013,610 0.009,611 0.007,612 0.008,613 0.424,614 0.33,615 1,616 2.394,617 158.004,618 0.205,619 0.047,620 0.056,621 0.034,622 0.022,623 0.012,624 0.291,625 -0.01,626 0.074,627 0.042,628 0.276,629 0.021,630 0.005,631 -0.224,632 0.024,633 -0.145,634 0.027,635 -0.068,636 -0.142,637 0.164,638 -0.083,639 0.163,640 -0.144,641 0.067,642 -0.038,643 0.093,644 -0.133,645 -0.083,646 0.002,647 -0.113,648 0.036,649 -0.019,650 -0.183,651 -0.074,652 0.073,653 -0.16,654 0.055,655 -0.111,656 -0.02,657 -0.098,658 0.02,659 -0.08,660 0.015,661 -0.161,662 0.071,663 -0.05,664 0.001,665 0.008,666 2.873,667 5.202,668 0.467,669 29.876,670 1.003,671 1.137,672 2.883,673 8.311,674 0.629,675 3.497,676 3.807,677 4.025,678 4.234,679 4.5,680 4.522,681 4.615,682 4.7,683 4.754,684 4.635,685 7.968,686 0.597,687 414.56,688 3.497,689 5.03,690 5.861,691 6.732,692 7.592,693 8.472,694 9.345,695 10.23,696 11.11,697 11.998,698 6.7,703 1,705 1,708 1,710 1,714 2,715 4,716 1,720 3,722 11,734 1,741 60,743 14,744 1,745 32,747 62,748 22,749 9,750 2,751 4,756 3,757 6,763 2,764 1,767 4,770 6,772 10,773 12,777 3,779 1,782 3,786 1,790 1,793 30,794 7,795 2,796 8,802 4,808 0.333,809 4,822 1,829 3,833 2,843 1,859 1,864 2,868 30,876 9,877 2,878 1,882 1,893 6.7,896 1,897 1,899 2,901 16.083,902 11.15,903 6.653,904 3.888,907 2.524,908 1.337,909 0.928,910 7.624,911 10.011,912 3.726,913 4.284,914 4.766,915 5.304,916 5.906,917 6.217,918 6.574,919 6.912,920 7.207,921 7.025,922 1,923 46,924 11.142,926 4.682,927 0.026,929 7.875,931 21.351,933 17.497,936 2.375,937 71.25,939 1,940 1,941 329.591,942 97.687,943 61.091,945 87.111,948 97.687,949 416.701,950 61.091,951 25.935,952 42.022,953 37.905,954 75.865,955 13.416,957 329.591,958 50.747,959 329.591,960 158.779,961 87.111,964 282.506,965 72.229,966 61.966,968 64.573,969 59.409,970 34.796,972 329.591,973 148.202,974 97.687,977 329.591,978 42.132,979 63.84,980 36.022,981 103.896,982 329.591,983 148.202,984 97.687,986 0.577,987 0.324,988 0.166,989 0.1,990 19,991 9,992 0.161,993 10,994 2,995 1.286,996 4.166,997 249.431,998 0.286,999 14,1000 143.207,1005 22.451,1006 10.187,1007 5.905,1008 2.2,1009 139.918,1010 8.254,1011 4.863,1015 3.77,1017 36.022,1018 575.48,1019 40.5,1021 -0.873,1024 32.862,1028 -0.244,1031 60.203,1032 68.228,1034 0.263,1035 0.588,1036 0.776,1037 0.849,1038 0.883,1039 0.894,1040 4.968,1041 1.506,1042 5.866,1043 3.569,1044 4.489,1045 4.97,1046 3.839,1047 6.703,1048 4.452,1049 6.172,1050 1.347,1051 7.451,1052 3.329,1053 4.205,1054 4.956,1055 4.403,1056 7.921,1057 4.185,1058 7.497,1059 1.247,1060 9.159,1061 3.209,1062 6.142,1063 7.178,1064 6.605,1065 10.961,1066 6.079,1067 8.863,1068 1.102,1069 10.945,1070 2.902,1071 6.711,1072 7.981,1073 7.833,1074 13.01,1075 6.666,1076 10.265,1077 0.709,1078 12.783,1079 2.514,1080 8.16,1081 9.745,1082 9.66,1083 15.648,1084 8.085,1085 11.691,1086 0.509,1087 14.655,1088 1.618,1089 9.098,1090 10.91,1091 11.107,1092 17.973,1093 9.033,1094 13.137,1095 0.229,1096 16.55,1097 1.126,1098 10.375,1099 12.509,1100 12.799,1101 20.496,1102 10.293,1103 3.352,1104 -0.144,1105 18.462,1106 0.518,1107 11.467,1108 13.849,1109 14.33,1110 22.916,1111 11.388,1112 3.226,1113 12.144,1114 20.385,1115 -0.353,1116 12.685,1117 15.389,1118 15.968,1119 25.406,1120 12.595,1121 2.532,1122 11.348,1123 22.318,1124 4.564,1125 13.838,1126 16.816,1127 17.535,1128 27.86,1129 13.747,1130 2.192,1131 8.37,1132 24.257,1133 3.565,1134 15.039,1135 18.335,1136 19.148,1137 30.341,1138 14.94,1139 2.18,1140 6.711,1141 26.202,1142 3.437,1143 16.216,1144 19.807,1145 20.731,1146 32.809,1147 16.114,1148 1.866,1149 5.203,1150 28.151,1151 3.312,1152 17.412,1153 21.321,1154 22.334,1155 35.288,1156 17.304,1157 1.579,1158 4.48,1159 30.103,1160 2.893,1161 18.6,1162 22.815,1163 23.924,1164 37.763,1165 18.489,1166 12447,1167 21067,1168 20.86,1169 37.739,1170 47.273,1171 50.96,1172 48.643,1173 47.057,1174 47.153,1175 59.146,1176 15.453,1177 134.082,1178 46.263,1179 5.604,1180 6.678,1181 7.069,1182 5.393,1183 5.352,1184 7.564,1185 8.199,1186 19.675,1187 5.348,1188 16.678,1189 1.477,1190 1.592,1191 1.52,1192 1.471,1193 1.474,1194 1.848,1195 0.483,1196 4.19,1197 1.446,1198 4.113,1199 4.144,1200 4.073,1201 4.04,1202 7.823,1203 4.045,1204 3.86,1205 3.897,1206 3.79,1207 3.68,1208 7.428,1209 3.688,1210 3.733,1211 3.781,1212 3.621,1213 3.649,1214 6.999,1215 3.636,1216 3.69,1217 3.749,1218 3.611,1219 3.515,1220 4.972,1221 3.503,1222 3.592,1223 3.62,1224 3.482,1225 3.192,1226 4.433,1227 3.197,1228 3.361,1229 3.444,1230 3.215,1231 3.027,1232 4.411,1233 3.148,1234 3.198,1235 3.267,1236 3.062,1237 2.977,1238 4.266,1239 3.009,1240 3.119,1241 3.198,1242 2.971,1243 2.938,1244 4.105,1245 2.935,1246 0.145,1247 0.146,1248 0.226,1249 0.136,1250 0.105,1251 4.64,1252 0.143,1253 4.678,1254 0.154,1255 7.248,1256 0.379,1257 4.352,1258 0.105,1259 3.352,1260 4.564,1261 4.929,1262 12.144,1263 3.348,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.435,1269 2.163,1270 1.782,1271 1.738,1272 1.986,1273 2.004,1274 1.29,1275 1.982,1276 1.754,1277 1.709,1278 1.949,1279 1.892,1280 1.199,1281 1.903,1282 1.671,1283 1.605,1284 1.922,1285 1.872,1286 1.142,1287 1.886,1288 1.342,1289 1.273,1290 1.597,1291 1.79,1292 0.812,1293 1.673,1294 1.209,1295 1.186,1296 1.454,1297 1.582,1298 0.747,1299 1.59,1300 1.171,1301 1.102,1302 1.417,1303 1.378,1304 0.603,1305 1.394,1306 1.124,1307 1.046,1308 1.408,1309 1.343,1310 0.469,1311 1.381,1312 4.174,1314 5.485,1316 6.995,1318 8.606,1320 10.277,1322 3.26,1328 7.289,1329 6.465,1330 4.348,1334 -0.944,1340 35.793,1341 93.099,1342 208.374,1343 274.904,1344 300.904,1345 312.904,1346 316.904,1347 69.097,1348 7.487,1349 109.07,1350 109.07,1351 18,1352 12.53,1353 3.907,1354 3.248,1355 55.777,1356 147,1357 138,1358 0.183,1359 222.292,1360 390.96,1361 534.153,1362 20054,1364 21.562,1365 0.719,1366 0.59,1367 21.562,1368 17.701,1369 14.382,1370 0.449,1371 0.331,1372 10.44,1373 13.741,1374 10.158,1375 8.476,1376 14.382,1377 10.583,1378 13.13,1379 0.298,1380 0.191,1381 13.13,1382 8.407,1383 10.266,1384 0.187,1385 0.1,1386 10.266,1387 5.506,1388 7.802,1389 0.115,1390 0.055,1391 7.802,1392 3.759,1393 6.819,1394 0.077,1395 0.031,1396 6.819,1397 2.794,1398 0.299,1399 91.029,1400 0.219,1401 28.957,1402 0.472,1403 152,1404 470.898,1405 169.538,1406 445.998,1407 592.15,1408 412,1409 175,1410 433.586,1411 191.852,1412 429.891,1413 619.79,1414 401,1415 6.646}
{0 CHEMBL272229,1 1.577,2 11.52,3 2.966,4 8.799,5 97.059,6 7.03,7 0.407,8 3.985,9 4.116,10 3.498,11 3.463,12 5.043,13 3.437,14 4.553,15 4.738,16 3.797,17 3.863,18 5.711,19 3.797,20 4.816,21 5.078,22 3.813,23 3.997,24 5.632,25 3.892,26 4.807,27 5.057,28 3.761,29 3.969,30 5.698,31 3.863,32 4.787,33 5.028,34 3.682,35 3.967,36 5.688,37 3.842,38 4.806,39 5.063,40 3.54,41 3.954,42 5.581,43 3.791,44 4.817,45 5.107,46 3.38,47 3.829,48 5.589,49 3.639,50 4.632,51 4.938,52 3.219,53 3.577,54 5.428,55 3.403,56 0.182,57 0.726,58 11.136,59 4.42,60 9.393,61 6.234,62 0.468,63 1.137,64 21.076,65 7.397,66 63.873,67 10.846,68 0.352,69 1.372,70 28.53,71 9.093,72 31.787,73 14.28,74 0.437,75 1.348,76 28.415,77 8.897,78 43.659,79 13.571,80 0.448,81 1.302,82 27.685,83 9.111,84 47.829,85 13.726,86 0.293,87 1.28,88 28.136,89 9.934,90 35.597,91 14.853,92 0.407,93 1.175,94 29.614,95 9.481,96 48.51,97 14.652,98 0.386,99 0.95,100 25.092,101 7.362,102 44.276,103 11.603,104 14,105 35,106 0.269,107 0.586,108 0.765,109 0.866,110 0.887,111 0.887,112 3.266,113 0.987,114 -3.64,115 -3.61,116 -3.44,121 36.7,123 5,127 4,144 4,145 2,146 1,148 2,168 3,176 8,179 3,180 4,185 4,187 9,192 4,195 1,197 2,200 6,206 2,209 2,210 1,211 4,214 8,219 1,222 2,224 2,227 10,232 2,237 2,239 10,244 2,247 1,249 2,251 4,259 2,261 4,269 2,272 2,274 2,281 1078,282 17.225,283 17.225,284 17.225,285 17.225,286 17.225,287 15.548,288 19.306,289 10.823,290 17.472,291 13.403,292 13.403,293 13.403,294 13.403,295 13.403,296 10.82,297 22.658,298 5.216,299 13.802,300 4.038,301 2.175,302 1.123,303 0.531,304 0.408,305 0.408,306 3.956,310 1,311 1,312 1,313 617,314 3.674,318 165.22,322 189.777,325 1.696,326 21.546,328 1,329 1,330 1,331 0.83,332 1,333 0.5,334 1,335 1,336 0.9,337 55,338 288,339 4.64,340 4.674,341 6.829,342 4.207,343 3.226,344 4.564,345 4.929,346 11.348,347 3.162,348 3.914,349 3.361,350 5.982,351 3.524,352 2.532,353 3.437,354 0.4,355 8.37,356 2.512,357 3.828,358 2.669,359 5.381,360 3.21,361 2.236,362 3.333,363 0.4,364 6.711,365 2.176,366 3.522,367 2.359,368 4.659,369 3.134,370 2.181,371 2.893,372 0.341,373 5.184,374 2.077,375 2.941,376 2.238,377 4.116,378 2.774,379 1.82,380 2.142,382 3.742,383 1.733,384 2.863,385 1.966,386 3.977,387 2.517,388 1.534,389 1.87,391 3.333,392 1.508,393 2.619,394 1.691,395 3.793,396 2.384,397 1.425,398 1.65,400 3.329,401 1.36,402 2.499,403 1.492,404 3.594,405 2.345,406 1.347,407 1.496,409 2.951,410 1.343,411 2.466,412 1.424,413 3.589,414 2.242,415 1.247,416 1.459,418 2.902,419 1.24,420 2.095,421 1.35,422 3.342,423 1.949,424 1,425 1.066,427 2.233,428 0.944,429 1.806,430 1.127,431 2.947,432 1.595,433 0.647,434 0.724,436 1.418,437 0.61,438 1.433,439 1,440 2.797,441 1.167,442 0.234,443 0.265,445 0.519,446 0.217,447 1.116,448 0.785,449 2.404,450 0.835,451 -0.11,452 -0.129,454 -0.266,455 -0.104,456 1,457 0.363,458 2.388,459 0.538,460 -0.445,461 -0.566,463 -1.091,464 -0.436,465 0.916,466 0.033,467 2,468 0.442,469 -0.518,470 -0.578,472 -1.169,473 -0.496,474 11.6,475 0.464,476 0.418,477 0.017,478 29.5,479 1.18,480 13.5,481 0.54,482 16,483 0.64,484 21.18,485 0.847,486 28.6,487 0.584,488 19.678,489 0.787,490 5.592,491 0.224,492 6.662,493 0.266,494 0.057,496 0.25,501 0.48,502 1.271,503 0.82,504 1.138,505 0.482,506 1.055,507 0.56,508 1.22,509 0.947,510 1.122,511 0.287,512 1.102,513 0.581,514 1.021,515 0.825,516 0.913,517 0.343,518 0.902,519 0.819,520 0.922,521 1.025,522 0.957,523 0.749,524 1.008,525 0.799,526 0.998,527 1.11,528 1.055,529 0.72,530 1.124,531 0.645,532 1.107,533 1.09,534 1.222,535 0.543,536 1.236,537 0.665,538 1.011,539 0.987,540 1.08,541 0.685,542 1.097,543 0.744,544 0.859,545 0.902,546 0.917,547 0.781,548 0.936,549 3,550 0.062,551 2,552 1.313,553 1.2,554 0.438,555 0.3,556 0.161,557 0.123,558 0.077,559 7639,560 22282,561 2.085,562 49,563 6,564 12,567 2,568 2,570 2,572 1.676,573 2,574 3.405,575 0.312,576 1,577 1,582 77.268,583 1.577,584 3.44,585 4.492,586 5.084,587 5.207,588 5.207,589 2.809,590 4.084,591 4.606,592 3.66,593 1098.1,594 7.948,595 14020.5,597 1,599 1,600 275.121,601 1.164,602 4.597,603 0.111,604 0.004,605 0.057,606 0.036,607 0.036,608 0.015,609 0.012,610 0.008,611 0.007,612 0.005,613 0.292,614 0.33,615 1,616 2.149,617 123.114,618 0.251,619 0.053,620 0.065,621 0.044,622 0.051,623 0.016,624 0.266,625 -0.067,626 -0.024,627 -0.026,628 0.339,629 -0.067,630 0.026,631 0.015,632 0.103,633 0.097,634 0.036,635 0.113,636 -0.061,637 0.137,638 -0.079,639 0.033,640 -0.071,641 -0.018,642 -0.049,643 0.051,644 -0.175,645 -0.031,646 -0.044,647 -0.114,648 -0.047,649 -0.111,650 -0.178,651 -0.174,652 -0.042,653 -0.196,654 0.025,655 -0.118,656 -0.04,657 -0.096,658 -0.026,659 -0.086,660 0.03,661 0.01,662 0.073,663 0.011,664 -0.021,665 0.042,666 2.763,667 3.056,668 0.56,669 25.664,670 1.005,671 1.138,672 2.406,673 5.789,674 0.633,675 3.332,676 3.584,677 3.829,678 4.111,679 4.382,680 4.443,681 4.564,682 4.654,683 4.7,684 4.533,685 6.909,686 0.602,687 344.46,688 3.332,689 4.828,690 5.652,691 6.509,692 7.366,693 8.241,694 9.116,695 10.003,696 10.889,697 11.782,698 8.2,700 1,703 1,708 1,710 1,714 2,715 4,716 1,720 3,722 11,734 1,741 49,743 13,744 1,745 27,747 51,748 18,749 9,750 2,751 4,756 3,757 6,767 4,770 5,772 9,773 9,777 2,779 1,782 2,789 1,790 1,793 24,794 6,795 2,796 7,802 4,808 0.333,809 3,822 1,829 3,833 2,853 1,859 1,868 25,876 9,877 2,878 1,893 6.1,897 1,899 2,901 12.5,902 8.483,903 5.694,904 3.221,907 2.525,908 1.35,909 0.958,910 6.425,911 9.74,912 3.57,913 4.119,914 4.64,915 5.253,916 5.862,917 6.189,918 6.565,919 6.906,920 7.2,921 7.003,922 1,923 36,924 9.225,926 3.798,927 0.026,929 7.793,931 17.89,933 14.543,936 2.293,937 57.333,940 1,941 258.964,942 74.903,943 61.091,945 61.966,948 74.903,949 320.93,950 61.091,951 8.284,952 23.582,953 55.916,954 46.015,955 13.416,957 258.964,958 50.747,959 258.964,960 135.995,961 61.966,964 235.422,965 23.542,966 61.966,968 46.494,969 54.705,970 34.796,972 258.964,973 123.057,974 74.903,977 258.964,978 36.998,979 46.189,980 36.022,981 78.751,982 258.964,983 123.057,984 74.903,986 0.555,987 0.307,988 0.175,989 0.101,990 15,991 6,992 0.176,993 9,994 2,995 1.286,996 3.846,997 193.949,998 0.286,999 14,1000 114.096,1005 17.899,1006 8.974,1007 4.802,1008 2.246,1009 114.773,1010 8.297,1011 4.847,1015 3.844,1017 36.022,1018 456.925,1019 34.5,1021 -0.763,1024 20.113,1031 49.225,1032 55.773,1034 0.281,1035 0.613,1036 0.8,1037 0.905,1038 0.927,1039 0.927,1040 4.769,1041 1.347,1042 5.587,1043 3.329,1044 4.263,1045 4.804,1046 3.707,1047 6.354,1048 4.209,1049 5.933,1050 1.247,1051 7.104,1052 2.951,1053 3.611,1054 4.663,1055 4.354,1056 7.222,1057 3.561,1058 7.225,1059 1,1060 8.737,1061 2.902,1062 5.778,1063 7.021,1064 6.582,1065 10.392,1066 5.679,1067 8.561,1068 0.647,1069 10.448,1070 2.233,1071 6.043,1072 7.777,1073 7.826,1074 12.208,1075 5.947,1076 9.941,1077 0.234,1078 12.211,1079 1.418,1080 7.62,1081 9.612,1082 9.657,1083 14.884,1084 7.488,1085 11.349,1086 -0.11,1087 14.012,1088 0.519,1089 8.36,1090 10.772,1091 11.105,1092 17.064,1093 8.222,1094 12.781,1095 -0.445,1096 15.84,1097 -0.266,1098 9.683,1099 12.409,1100 12.798,1101 19.578,1102 9.518,1103 3.226,1104 -0.518,1105 17.686,1106 -1.091,1107 10.657,1108 13.758,1109 14.33,1110 21.902,1111 10.479,1112 2.532,1113 11.348,1114 19.548,1115 -1.169,1116 11.878,1117 15.319,1118 15.967,1119 24.361,1120 11.677,1121 2.236,1122 8.37,1123 21.419,1124 4.564,1125 12.961,1126 16.758,1127 17.535,1128 26.744,1129 12.743,1130 2.181,1131 6.711,1132 23.3,1133 3.437,1134 14.144,1135 18.29,1136 19.148,1137 29.184,1138 13.905,1139 1.82,1140 5.184,1141 25.186,1142 3.333,1143 15.276,1144 19.77,1145 20.731,1146 31.592,1147 15.017,1148 1.534,1149 3.742,1150 27.079,1151 2.893,1152 16.447,1153 21.292,1154 22.334,1155 34.024,1156 16.168,1157 1.425,1158 3.333,1159 28.975,1160 2.142,1161 17.6,1162 22.792,1163 23.924,1164 36.444,1165 17.3,1166 7511,1167 13001,1168 18.375,1169 31,1170 38.584,1171 41.658,1172 39.79,1173 38.806,1174 38.858,1175 49.802,1176 12.141,1177 104.08,1178 37.762,1179 5.593,1180 6.674,1181 6.719,1182 5.247,1183 5.226,1184 7.564,1185 8.199,1186 18.879,1187 5.162,1188 9.863,1189 1.429,1190 1.543,1191 1.474,1192 1.437,1193 1.439,1194 1.845,1195 0.45,1196 3.855,1197 1.399,1198 4.112,1199 4.143,1200 4.073,1201 4.04,1202 7.823,1203 4.044,1204 3.769,1205 3.819,1206 3.718,1207 3.651,1208 6.999,1209 3.637,1210 3.732,1211 3.78,1212 3.618,1213 3.518,1214 4.972,1215 3.521,1216 3.642,1217 3.689,1218 3.518,1219 3.297,1220 4.453,1221 3.329,1222 3.401,1223 3.475,1224 3.265,1225 3.138,1226 4.409,1227 3.147,1228 3.234,1229 3.296,1230 3.091,1231 2.971,1232 4.25,1233 3.021,1234 3.133,1235 3.212,1236 2.994,1237 2.891,1238 4.061,1239 2.956,1240 2.958,1241 3.057,1242 2.735,1243 2.763,1244 3.968,1245 2.746,1246 0.172,1247 0.173,1248 0.253,1249 0.156,1250 0.119,1251 4.64,1252 0.169,1253 4.674,1254 0.183,1255 6.829,1256 0.42,1257 4.207,1258 0.117,1259 3.226,1260 4.564,1261 4.929,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.158,1267 2.163,1268 1.435,1269 2.163,1270 1.754,1271 1.709,1272 1.951,1273 1.964,1274 1.23,1275 1.929,1276 1.68,1277 1.606,1278 1.926,1279 1.873,1280 1.138,1281 1.901,1282 1.476,1283 1.416,1284 1.736,1285 1.851,1286 0.994,1287 1.783,1288 1.269,1289 1.217,1290 1.486,1291 1.625,1292 0.757,1293 1.579,1294 1.139,1295 1.08,1296 1.435,1297 1.413,1298 0.636,1299 1.429,1300 1.107,1301 1.05,1302 1.313,1303 1.348,1304 0.508,1305 1.381,1306 0.942,1307 0.864,1308 1.171,1309 1.229,1310 0.246,1311 1.252,1312 4.007,1314 5.273,1316 6.749,1318 8.344,1320 10.013,1328 7.733,1329 6.75,1330 4.265,1340 29.498,1341 77.268,1342 168.552,1343 220.101,1344 249.121,1345 255.121,1346 255.121,1347 37.976,1348 7.215,1349 92,1350 92,1351 18,1352 12.311,1353 3.807,1354 3.087,1355 42.107,1356 98,1357 122,1358 0.2,1359 182.854,1360 315.61,1361 437.924,1362 13689,1364 17.485,1365 0.699,1366 0.572,1367 17.485,1368 14.293,1369 12.254,1370 0.454,1371 0.329,1372 8.746,1373 11.659,1374 8.632,1375 7.138,1376 12.254,1377 8.879,1378 10.409,1379 0.297,1380 0.178,1381 10.409,1382 6.223,1383 8.21,1384 0.182,1385 0.099,1386 8.21,1387 4.477,1388 6.96,1389 0.116,1390 0.055,1391 6.96,1392 3.319,1393 5.907,1394 0.075,1395 0.031,1396 5.907,1397 2.486,1398 0.322,1399 77.731,1400 0.233,1401 24.818,1402 0.525,1403 124,1404 389.163,1405 138.99,1406 367.651,1407 493.11,1408 342,1409 142,1410 365.387,1411 155.418,1412 358.249,1413 517.73,1414 337,1415 8}
{0 CHEMBL272230,1 1.595,2 13.107,3 3.252,4 10.572,5 106.481,6 7.157,7 0.367,8 4.078,9 4.204,10 3.598,11 3.559,12 5.164,13 3.536,14 4.646,15 4.825,16 3.907,17 3.957,18 5.831,19 3.893,20 4.923,21 5.175,22 3.924,23 4.085,24 5.809,25 3.991,26 4.914,27 5.153,28 3.889,29 4.055,30 5.922,31 3.962,32 4.886,33 5.124,34 3.806,35 4.061,36 5.822,37 3.945,38 4.917,39 5.163,40 3.739,41 4.053,42 5.995,43 3.902,44 4.911,45 5.194,46 3.5,47 3.955,48 5.69,49 3.765,50 4.789,51 5.087,52 3.366,53 3.746,54 5.586,55 3.572,56 0.192,57 0.79,58 11.888,59 4.933,60 10.659,61 6.782,62 0.524,63 1.237,64 22.757,65 8.35,66 71.065,67 11.968,68 0.425,69 1.501,70 31.856,71 10.075,72 52.437,73 15.484,74 0.665,75 1.472,76 31.834,77 9.502,78 77.003,79 14.476,80 0.525,81 1.431,82 30.529,83 10.254,84 57.773,85 14.998,86 0.636,87 1.407,88 31.742,89 11.094,90 106.504,91 16.383,92 0.449,93 1.311,94 32.42,95 10.992,96 61.089,97 16.623,98 0.445,99 1.111,100 29.497,101 8.808,102 60.564,103 13.805,104 21,105 39,106 0.265,107 0.578,108 0.743,109 0.84,110 0.877,111 0.89,112 3.373,113 0.983,114 -3.67,115 -3.64,116 -3.46,121 37,123 7,127 3,144 4,145 2,146 1,148 2,160 1,168 3,176 9,179 3,180 6,183 1,185 5,187 9,192 5,197 4,200 6,205 1,206 5,209 2,211 4,214 9,218 1,219 1,222 1,223 1,224 2,227 13,231 2,232 2,235 2,239 12,244 3,247 1,249 3,251 8,256 3,261 2,264 2,269 4,272 2,274 4,277 2,281 1374,282 19.087,283 19.087,284 19.087,285 19.087,286 19.087,287 17.255,288 19.736,289 11.882,290 19.294,291 14.869,292 14.869,293 14.869,294 14.869,295 14.869,296 11.984,297 18.942,298 5.706,299 15.186,300 4.16,301 2.281,302 1.287,303 0.704,304 0.481,305 0.407,306 4.062,310 1,311 1,312 1,313 782,314 4.183,318 199.233,322 229.115,325 1.957,326 29.442,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 62,338 367,339 4.64,340 4.674,341 6.829,342 4.207,343 3.226,344 4.564,345 4.929,346 11.348,347 3.162,348 3.914,349 3.575,350 5.982,351 3.524,352 2.532,353 3.437,354 1.907,355 8.37,356 2.512,357 3.834,358 3.361,359 5.381,360 3.4,361 2.401,362 3.334,363 0.4,364 6.711,365 2.387,366 3.647,367 2.669,368 5.04,369 3.17,370 2.189,371 2.893,372 0.341,373 6.106,374 2.147,375 3.522,376 2.356,377 4.642,378 3.133,379 2.175,380 2.823,381 0.149,382 5.136,383 2.077,384 2.94,385 2.153,386 4.116,387 2.715,388 1.728,389 2.142,391 3.642,392 1.703,393 2.779,394 1.885,395 3.969,396 2.512,397 1.522,398 1.791,400 3.329,401 1.505,402 2.59,403 1.643,404 3.732,405 2.345,406 1.347,407 1.615,409 3.258,410 1.343,411 2.488,412 1.469,413 3.594,414 2.242,415 1.247,416 1.487,418 2.902,419 1.24,420 2.304,421 1.402,422 3.551,423 2.196,424 1.245,425 1.287,427 2.701,428 1.179,429 2.176,430 1.35,431 3.284,432 1.954,433 1,434 1.106,436 2.159,437 0.944,438 1.884,439 1.269,440 3,441 1.688,442 0.709,443 0.8,445 1.583,446 0.69,447 1.478,448 1,449 2.836,450 1.226,451 0.272,452 0.309,454 0.612,455 0.258,456 1.13,457 0.973,458 2.517,459 0.855,460 -0.099,461 -0.114,463 -0.244,464 -0.094,465 1,466 0.557,467 2.404,468 0.682,469 -0.308,470 -0.364,472 -0.68,473 -0.3,474 12.933,475 0.462,476 0.524,477 0.019,478 32.75,479 1.17,480 15,481 0.536,482 17.75,483 0.634,484 24.845,485 0.887,486 32.067,487 0.594,488 23.191,489 0.828,490 6.157,491 0.22,492 7.491,493 0.268,494 0.077,496 0.263,501 0.483,502 1.268,503 0.802,504 1.147,505 0.48,506 1.055,507 0.487,508 1.247,509 0.909,510 1.168,511 0.33,512 1.129,513 0.72,514 1.053,515 0.859,516 0.935,517 0.57,518 0.917,519 0.886,520 0.977,521 1.065,522 0.947,523 0.895,524 1.015,525 0.796,526 0.932,527 1.092,528 1.05,529 0.794,530 1.113,531 0.495,532 1.054,533 1.031,534 1.184,535 0.41,536 1.214,537 0.55,538 1.028,539 0.96,540 1.126,541 0.533,542 1.134,543 0.736,544 0.962,545 0.903,546 0.962,547 0.685,548 0.968,549 4,550 0.161,551 2.444,552 1.563,553 1.28,554 0.604,555 0.341,556 0.161,557 0.123,558 0.137,559 10850,560 32900,561 2.055,562 48.1,563 6,564 10,567 2,568 4,569 4,572 1.704,573 1.953,574 3.583,575 0.282,576 1,577 1,582 86.114,583 1.595,584 3.474,585 4.468,586 5.051,587 5.273,588 5.347,589 2.999,590 4.066,591 4.775,592 3.858,593 1458.27,594 8.271,595 20851.5,597 1,599 1,600 310.764,601 1.255,602 4.752,603 0.133,604 0.008,605 0.063,606 0.039,607 0.035,608 0.018,609 0.011,610 0.007,611 0.006,612 0.007,613 0.326,614 0.33,615 1,616 2.406,617 144.807,618 0.199,619 0.052,620 0.056,621 0.04,622 0.037,623 0.014,624 0.282,625 -0.098,626 -0.004,627 -0.06,628 0.274,629 -0.086,630 -0.042,631 -0.023,632 0.077,633 0.071,634 -0.014,635 0.097,636 -0.035,637 0.081,638 -0.107,639 0.031,640 -0.069,641 -0.037,642 -0.054,643 0.12,644 -0.16,645 -0.027,646 -0.078,647 -0.102,648 0.183,649 -0.062,650 -0.106,651 -0.142,652 0.24,653 -0.178,654 0.055,655 -0.123,656 -0.026,657 -0.112,658 0.019,659 -0.094,660 -0.007,661 -0.095,662 0.069,663 -0.01,664 -0.013,665 0.036,666 2.888,667 4.549,668 0.5,669 30.434,670 1.008,671 1.137,672 2.441,673 5.959,674 0.634,675 3.434,676 3.689,677 3.912,678 4.174,679 4.431,680 4.5,681 4.595,682 4.682,683 4.736,684 4.595,685 7.865,686 0.606,687 386.5,688 3.434,689 4.934,690 5.753,691 6.605,692 7.454,693 8.324,694 9.19,695 10.071,696 10.949,697 11.837,698 7.4,703 1,705 1,708 1,710 1,714 2,715 4,716 1,720 3,722 11,734 1,741 54,743 14,744 1,745 30,747 56,748 20,749 9,750 2,751 4,756 3,757 6,767 4,770 7,772 10,773 10,777 3,779 1,782 3,786 1,789 1,790 1,793 26,794 7,795 2,796 8,802 4,808 0.333,809 4,822 1,829 3,833 2,843 1,859 1,868 28,876 10,877 2,878 1,893 7.4,896 1,897 1,899 2,901 14.333,902 9.4,903 6.361,904 3.575,907 2.543,908 1.344,909 0.949,910 7.576,911 9.928,912 3.676,913 4.212,914 4.696,915 5.284,916 5.879,917 6.213,918 6.571,919 6.91,920 7.206,921 7.02,922 1,923 40,924 10.362,926 4.3,927 0.026,929 7.911,931 19.859,933 16.108,936 2.411,937 67.5,940 1,941 282.506,942 82.571,943 61.091,945 87.111,948 82.571,949 369.617,950 61.091,951 8.284,952 44.556,953 37.905,954 75.865,955 13.416,957 282.506,958 50.747,959 282.506,960 143.663,961 87.111,964 235.422,965 72.229,966 61.966,968 49.457,969 59.409,970 34.796,972 282.506,973 148.202,974 82.571,977 282.506,978 44.666,979 46.189,980 36.022,981 103.896,982 282.506,983 148.202,984 82.571,986 0.558,987 0.307,988 0.169,989 0.096,990 16,991 7,992 0.179,993 10,994 2,995 1.286,996 4.125,997 222.548,998 0.286,999 14,1000 132.606,1005 20.499,1006 10.349,1007 5.88,1008 2.206,1009 139.918,1010 8.247,1011 4.849,1015 3.78,1017 36.022,1018 513.28,1019 38.5,1021 -0.888,1024 31.634,1028 -0.232,1031 54.436,1032 61.398,1034 0.277,1035 0.604,1036 0.776,1037 0.878,1038 0.916,1039 0.929,1040 4.881,1041 1.347,1042 5.694,1043 3.329,1044 4.369,1045 4.898,1046 3.839,1047 6.45,1048 4.328,1049 6.048,1050 1.247,1051 7.209,1052 3.258,1053 3.761,1054 4.771,1055 4.403,1056 7.298,1057 3.73,1058 7.339,1059 1.245,1060 8.835,1061 2.902,1062 5.883,1063 7.087,1064 6.605,1065 10.445,1066 5.804,1067 8.671,1068 1,1069 10.536,1070 2.701,1071 6.155,1072 7.834,1073 7.833,1074 12.237,1075 6.078,1076 10.042,1077 0.709,1078 12.287,1079 2.159,1080 7.708,1081 9.648,1082 9.66,1083 14.904,1084 7.594,1085 11.441,1086 0.272,1087 14.075,1088 1.583,1089 8.435,1090 10.798,1091 11.107,1092 17.074,1093 8.313,1094 12.863,1095 -0.099,1096 15.891,1097 0.612,1098 9.745,1099 12.426,1100 12.799,1101 19.585,1102 9.594,1103 3.226,1104 -0.308,1105 17.728,1106 -0.244,1107 10.705,1108 13.77,1109 14.33,1110 21.906,1111 10.539,1112 2.532,1113 11.348,1114 19.58,1115 -0.68,1116 11.917,1117 15.327,1118 15.968,1119 24.363,1120 11.727,1121 2.401,1122 8.37,1123 21.445,1124 4.564,1125 12.99,1126 16.763,1127 17.535,1128 26.745,1129 12.78,1130 2.189,1131 6.711,1132 23.319,1133 3.437,1134 14.168,1135 18.293,1136 19.148,1137 29.184,1138 13.935,1139 2.175,1140 6.106,1141 25.202,1142 3.334,1143 15.293,1144 19.772,1145 20.731,1146 31.592,1147 15.039,1148 1.728,1149 5.136,1150 27.09,1151 2.893,1152 16.461,1153 21.293,1154 22.334,1155 34.024,1156 16.185,1157 1.522,1158 3.642,1159 28.984,1160 2.823,1161 17.61,1162 22.793,1163 23.924,1164 36.444,1165 17.313,1166 10653,1167 18783,1168 20.167,1169 34.216,1170 43.022,1171 46.573,1172 44.316,1173 43.142,1174 43.187,1175 55.178,1176 15.453,1177 115.715,1178 42.29,1179 5.601,1180 6.674,1181 6.653,1182 5.247,1183 5.226,1184 7.564,1185 8.199,1186 18.879,1187 5.162,1188 12.807,1189 1.434,1190 1.552,1191 1.477,1192 1.438,1193 1.44,1194 1.839,1195 0.515,1196 3.857,1197 1.41,1198 4.113,1199 4.144,1200 4.073,1201 4.04,1202 7.823,1203 4.044,1204 3.796,1205 3.84,1206 3.736,1207 3.651,1208 7.429,1209 3.638,1210 3.732,1211 3.78,1212 3.619,1213 3.579,1214 6.999,1215 3.583,1216 3.689,1217 3.732,1218 3.59,1219 3.424,1220 4.972,1221 3.437,1222 3.526,1223 3.57,1224 3.422,1225 3.184,1226 4.414,1227 3.196,1228 3.318,1229 3.387,1230 3.177,1231 3.027,1232 4.378,1233 3.119,1234 3.173,1235 3.247,1236 3.039,1237 2.963,1238 4.266,1239 2.983,1240 3.101,1241 3.184,1242 2.922,1243 2.874,1244 4.097,1245 2.896,1246 0.155,1247 0.156,1248 0.228,1249 0.14,1250 0.108,1251 4.64,1252 0.152,1253 4.674,1254 0.164,1255 6.829,1256 0.378,1257 4.207,1258 0.105,1259 3.226,1260 4.564,1261 4.929,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.435,1269 2.163,1270 1.754,1271 1.709,1272 1.963,1273 1.968,1274 1.287,1275 1.944,1276 1.721,1277 1.658,1278 1.946,1279 1.892,1280 1.143,1281 1.902,1282 1.576,1283 1.526,1284 1.802,1285 1.872,1286 1.051,1287 1.838,1288 1.334,1289 1.27,1290 1.585,1291 1.72,1292 0.808,1293 1.65,1294 1.2,1295 1.163,1296 1.453,1297 1.524,1298 0.746,1299 1.519,1300 1.135,1301 1.067,1302 1.407,1303 1.362,1304 0.603,1305 1.381,1306 1.085,1307 1.017,1308 1.22,1309 1.336,1310 0.302,1311 1.374,1312 4.111,1314 5.38,1316 6.849,1318 8.431,1320 10.085,1328 7.415,1329 6.358,1330 4.133,1340 32.74,1341 86.114,1342 187.57,1343 241.254,1344 272.764,1345 284.764,1346 288.764,1347 54.35,1348 7.385,1349 109.07,1350 109.07,1351 18,1352 12.37,1353 3.907,1354 3.248,1355 50.194,1356 131,1357 144,1358 0.182,1359 203.107,1360 356.36,1361 487.342,1362 17686,1364 19.769,1365 0.706,1366 0.568,1367 19.769,1368 15.908,1369 13.648,1370 0.455,1371 0.328,1372 9.69,1373 12.987,1374 9.562,1375 7.902,1376 13.648,1377 9.833,1378 11.738,1379 0.301,1380 0.178,1381 11.738,1382 6.927,1383 9.104,1384 0.186,1385 0.1,1386 9.104,1387 4.923,1388 7.565,1389 0.118,1390 0.056,1391 7.565,1392 3.567,1393 6.255,1394 0.075,1395 0.032,1396 6.255,1397 2.634,1398 0.297,1399 86.625,1400 0.223,1401 27.542,1402 0.464,1403 138,1404 456.898,1405 155.538,1406 429.484,1407 568.67,1408 398,1409 157,1410 413.586,1411 172.19,1412 404.934,1413 583.29,1414 381,1415 7.34}
{0 CHEMBL272700,1 1.542,2 19.186,3 6.67,4 44.494,5 162.916,6 7.769,7 0.511,8 4.406,9 4.509,10 4.002,11 3.98,12 5.564,13 3.965,14 4.933,15 5.084,16 4.35,17 4.35,18 6.116,19 4.32,20 5.201,21 5.387,22 4.404,23 4.486,24 6.321,25 4.43,26 5.266,27 5.483,28 4.376,29 4.463,30 6.426,31 4.387,32 5.261,33 5.478,34 4.316,35 4.441,36 6.398,37 4.364,38 5.207,39 5.424,40 4.273,41 4.43,42 6.404,43 4.33,44 5.169,45 5.402,46 4.165,47 4.381,48 6.169,49 4.269,50 5.108,51 5.331,52 4.112,53 4.275,54 6.159,55 4.186,56 0.064,57 1.116,58 13.722,59 7.248,60 12.949,61 8.593,62 0.394,63 1.817,64 26.707,65 11.781,66 41.981,67 14.372,68 0.598,69 2.306,70 38.505,71 15.65,72 81.587,73 18.928,74 0.7,75 2.435,76 43.421,77 16.99,78 114.421,79 21.819,80 0.911,81 2.31,82 44.338,83 16.576,84 124.461,85 20.703,86 0.861,87 2.156,88 40.85,89 16.189,90 139.144,91 21.341,92 0.517,93 2.048,94 39.643,95 16.166,96 77.031,97 21.484,98 0.766,99 1.926,100 38.511,101 14.526,102 93.189,103 18.27,104 27,105 64,106 0.235,107 0.544,108 0.726,109 0.833,110 0.855,111 0.859,112 3.787,113 0.903,114 -6.79,115 -6.61,116 -6.12,121 46.7,122 1,123 1,127 5,137 1,138 1,144 15,145 5,146 4,160 2,176 20,179 1,180 10,183 1,185 1,187 24,192 13,195 1,197 1,200 16,206 13,211 2,214 12,218 2,219 10,224 2,227 15,232 6,237 3,239 18,243 1,244 7,249 1,251 19,255 2,256 5,259 1,261 1,264 17,269 4,274 1,277 16,281 4700,282 29.143,283 29.143,284 29.143,285 29.143,286 29.143,287 25.752,288 33.49,289 17.444,290 29.671,291 23.219,292 23.219,293 23.219,294 23.219,295 23.219,296 18.028,297 41.288,298 8.346,299 24.036,300 4.687,301 2.666,302 1.468,303 0.767,304 0.623,305 0.597,306 4.491,313 1777,314 4.416,318 782.685,322 233.48,325 3.493,326 54.119,329 0.5,330 0.5,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.51,337 94,338 825,339 4.478,340 3.726,341 6.536,342 4.1,343 3.118,344 4.089,345 1.987,346 10.314,347 3.061,348 4.177,349 3.617,350 6.089,351 3.772,352 2.797,353 3.817,354 1.674,355 8.871,356 2.726,357 4.148,358 3.118,359 5.707,360 3.76,361 2.783,362 3.754,363 0.995,364 8.061,365 2.719,366 3.953,367 3.08,368 5.662,369 3.653,370 2.685,371 3.458,372 0.86,373 7.924,374 2.6,375 3.839,376 3.016,377 5.354,378 3.446,379 2.455,380 3.279,381 0.359,382 6.991,383 2.434,384 3.673,385 2.735,386 5.265,387 3.351,388 2.368,389 2.895,390 0.324,391 6.7,392 2.307,393 3.547,394 2.654,395 5.129,396 3.195,397 2.259,398 2.839,400 6.358,401 2.101,402 3.348,403 2.592,404 5.024,405 3.03,406 2.07,407 2.519,409 5.776,410 1.97,411 3.232,412 2.51,413 4.822,414 2.832,415 1.879,416 2.481,418 5.32,419 1.795,420 3.188,421 2.346,422 4.634,423 2.8,424 1.858,425 2.382,427 4.986,428 1.761,429 3.182,430 2.191,431 4.618,432 2.787,433 1.825,434 2.308,436 4.963,437 1.678,438 2.996,439 1.821,440 4.514,441 2.561,442 1.58,443 2.15,445 4.536,446 1.543,447 2.818,448 1.707,449 3.667,450 2.407,451 1.413,452 1.925,454 3.022,455 1.403,456 2.5,457 1.513,458 3.583,459 2.316,460 1.357,461 1.5,463 2.922,464 1.288,465 2.5,466 1.17,467 3.57,468 2,469 1,470 1.5,472 2.318,473 1,474 20.205,475 0.47,476 0.988,477 0.023,478 56.25,479 1.308,480 29.5,481 0.686,482 26.75,483 0.622,484 37.646,485 0.875,486 45.795,487 0.611,488 49.712,489 1.156,490 11.639,491 0.271,492 9.216,493 0.214,494 0.086,496 0.317,499 2,501 0.629,502 1.022,503 0.719,504 1.04,505 0.53,506 0.93,507 0.746,508 0.97,509 0.853,510 0.998,511 0.54,512 0.954,513 1.052,514 1.006,515 1.054,516 1.043,517 0.947,518 1.044,519 0.787,520 0.931,521 0.897,522 1.044,523 0.676,524 1.009,525 1.034,526 0.879,527 1.038,528 0.933,529 1.099,530 0.969,531 0.591,532 0.774,533 0.927,534 1.015,535 0.549,536 1.05,537 0.592,538 0.872,539 0.9,540 1.057,541 0.535,542 1.056,543 1.019,544 0.812,545 1.033,546 0.915,547 0.935,548 0.969,549 9.5,550 0.285,551 3.333,552 2.938,553 2.324,554 1.194,555 1.01,556 0.472,557 0.442,558 0.326,559 39275,560 112360,561 2.086,562 42.7,564 26,567 1,568 2,569 3,572 1.812,573 1.969,574 4.182,575 -0.438,582 115.636,583 1.542,584 3.563,585 4.761,586 5.462,587 5.605,588 5.632,589 3.633,590 5.101,591 5.393,592 4.43,593 4000.48,594 9.512,595 81254.6,600 467.161,601 1.338,602 5.365,603 0.202,604 0.006,605 0.052,606 0.045,607 0.038,608 0.021,609 0.018,610 0.009,611 0.009,612 0.007,613 0.409,614 0.17,615 0.5,616 0.613,617 256.348,618 -0.02,619 -0.058,620 0.042,621 -0.026,622 -0.033,623 0.013,624 0.031,625 -0.018,626 0.006,627 -0.019,628 0.064,629 -0.011,630 -0.1,631 -0.026,632 -0.114,633 -0.062,634 -0.086,635 -0.083,636 0.06,637 -0.064,638 0.074,639 -0.067,640 0.118,641 -0.011,642 -0.035,643 0.046,644 -0.039,645 0.039,646 -0.072,647 0.012,648 0.164,649 0.045,650 0.025,651 -0.034,652 0.179,653 -0.041,654 0.064,655 -0.066,656 0.051,657 -0.064,658 0.034,659 -0.021,660 -0.041,661 0.066,662 -0.029,663 0.062,664 -0.089,665 0.026,666 2.392,667 5.786,668 0.651,669 77.361,670 1.009,671 1.122,672 5.563,673 30.95,674 0.678,675 3.871,676 4.174,677 4.394,678 4.654,679 4.875,680 4.927,681 5.03,682 5.17,683 5.273,684 5.342,685 11.232,686 0.655,687 582.69,688 3.871,689 5.407,690 6.236,691 7.101,692 7.944,693 8.813,694 9.664,695 10.536,696 11.392,697 12.267,698 2.7,701 1,705 1,715 15,720 9,722 24,739 1,740 2,741 75,743 27,744 4,745 47,747 79,748 35,749 24,750 9,751 15,752 3,756 5,757 6,763 1,770 1,772 28,773 7,777 3,782 2,784 1,786 3,791 2,793 32,794 8,795 1,796 8,802 2,808 0.8,809 4,829 5,833 1,843 1,846 1,849 1,850 1,855 1,859 4,864 1,866 2,868 43,876 6,877 1,878 2,881 1,892 2,893 5.3,896 2,898 2,901 21.833,902 13.736,903 9.5,904 4.566,907 4.414,908 1.5,909 0.992,910 9.986,911 13.237,912 4.143,913 4.71,914 5.22,915 5.768,916 6.297,917 6.476,918 6.79,919 7.173,920 7.491,921 7.772,922 0.923,923 65,924 16.021,926 6.895,927 0.026,929 7.93,931 30.087,933 24.483,936 2.43,937 104.5,941 364.904,942 235.733,943 21.135,945 72.29,946 29.92,948 235.733,949 437.194,950 51.055,951 8.825,952 33.56,953 151.62,954 62.186,955 72.966,956 29.92,957 364.904,959 364.904,960 256.868,961 102.21,964 359.511,965 107.603,968 45.51,969 201.882,970 9.476,972 394.824,973 93.425,974 235.733,977 364.904,978 75.288,979 163.569,980 18.011,981 102.21,982 364.904,983 123.345,984 235.733,986 0.575,987 0.324,988 0.178,989 0.098,990 28,991 13,992 0.152,993 12,994 1,995 1.071,996 5.437,997 412.543,998 0.071,999 28,1000 217.329,1005 30.156,1006 14.239,1007 8.379,1009 123.345,1010 26.445,1015 3.663,1017 18.011,1018 723.982,1019 62,1024 24.918,1026 1.788,1028 -0.342,1031 75.676,1032 84.157,1034 0.248,1035 0.572,1036 0.764,1037 0.877,1038 0.9,1039 0.904,1040 5.371,1041 2.07,1042 6.205,1043 6.358,1044 4.86,1045 5.398,1046 2.839,1047 6.961,1048 4.797,1049 6.562,1050 1.879,1051 7.725,1052 5.776,1053 4.369,1054 5.103,1055 1.668,1056 7.703,1057 4.271,1058 7.851,1059 1.858,1060 9.338,1061 5.32,1062 6.405,1063 7.518,1064 3.7,1065 10.778,1066 6.291,1067 9.168,1068 1.825,1069 11.004,1070 4.986,1071 6.686,1072 7.975,1073 3.195,1074 12.328,1075 6.545,1076 10.513,1077 1.58,1078 12.704,1079 4.963,1080 8.191,1081 9.889,1082 4.793,1083 14.915,1084 8.036,1085 11.877,1086 1.413,1087 14.43,1088 4.536,1089 8.858,1090 10.728,1091 4.661,1092 16.851,1093 8.68,1094 13.257,1095 1.357,1096 16.174,1097 3.022,1098 10.129,1099 12.403,1100 5.981,1101 19.254,1102 9.938,1103 3.118,1104 1,1105 17.935,1106 2.922,1107 11.001,1108 13.46,1109 6.093,1110 21.383,1111 10.788,1112 2.797,1113 10.314,1114 19.708,1115 2.318,1116 12.166,1117 15.005,1118 7.221,1119 23.719,1120 11.939,1121 2.783,1122 8.871,1123 21.493,1124 4.089,1125 13.147,1126 16.191,1127 7.501,1128 25.944,1129 12.9,1130 2.685,1131 8.061,1132 23.288,1133 3.817,1134 14.268,1135 17.663,1136 8.495,1137 28.26,1138 14.006,1139 2.455,1140 7.924,1141 25.091,1142 3.754,1143 15.307,1144 18.926,1145 8.895,1146 30.532,1147 15.026,1148 2.368,1149 6.991,1150 26.903,1151 3.458,1152 16.412,1153 20.357,1154 9.795,1155 32.845,1156 16.115,1157 2.259,1158 6.7,1159 28.721,1160 3.279,1161 17.483,1162 21.668,1163 10.279,1164 35.142,1165 17.168,1166 36908,1167 62877,1168 31.611,1169 50.887,1170 69.341,1171 71.585,1172 70.202,1173 68.8,1174 68.703,1175 89.561,1176 12.398,1177 191.044,1178 66.42,1179 5.409,1180 5.726,1181 6.338,1182 5.195,1183 5.118,1184 7.089,1185 3.661,1186 17.155,1187 5.061,1188 21.451,1189 1.475,1190 1.523,1191 1.494,1192 1.464,1193 1.462,1194 1.906,1195 0.264,1196 4.065,1197 1.413,1198 4.053,1199 4.072,1200 4.009,1201 3.981,1202 8.211,1203 3.984,1204 3.942,1205 3.966,1206 3.9,1207 3.862,1208 8.191,1209 3.864,1210 3.923,1211 3.955,1212 3.855,1213 3.848,1214 7.434,1215 3.846,1216 3.86,1217 3.885,1218 3.797,1219 3.8,1220 7.428,1221 3.798,1222 3.643,1223 3.696,1224 3.554,1225 3.448,1226 4.912,1227 3.46,1228 3.587,1229 3.656,1230 3.479,1231 3.392,1232 4.762,1233 3.407,1234 3.448,1235 3.466,1236 3.366,1237 3.295,1238 4.712,1239 3.301,1240 3.301,1241 3.347,1242 3.173,1243 3.126,1244 4.511,1245 3.128,1246 0.095,1247 0.079,1248 0.139,1249 0.087,1250 0.066,1251 4.478,1252 0.087,1253 3.726,1254 0.042,1255 6.536,1256 0.219,1257 4.1,1258 0.065,1259 3.118,1260 4.089,1261 1.987,1262 10.314,1263 3.061,1264 1.994,1265 1.98,1266 2.086,1267 2.081,1268 1.264,1269 2.081,1270 1.918,1271 1.888,1272 2.04,1273 2.022,1274 1.172,1275 2.027,1276 1.902,1277 1.879,1278 1.997,1279 2.009,1280 1.154,1281 2.005,1282 1.858,1283 1.837,1284 1.965,1285 1.945,1286 1.09,1287 1.955,1288 1.584,1289 1.525,1290 1.836,1291 1.812,1292 1.011,1293 1.811,1294 1.549,1295 1.485,1296 1.775,1297 1.77,1298 0.981,1299 1.784,1300 1.395,1301 1.366,1302 1.564,1303 1.574,1304 0.737,1305 1.559,1306 1.268,1307 1.22,1308 1.501,1309 1.475,1310 0.658,1311 1.488,1312 4.554,1314 5.861,1316 7.352,1318 8.93,1320 10.557,1322 2.143,1324 26.683,1328 2.814,1329 2.676,1330 11.357,1333 2.354,1340 49.097,1341 115.636,1342 267.2,1343 357.048,1344 409.652,1345 420.407,1346 422.407,1347 106.708,1348 8.823,1349 71.78,1350 71.78,1351 30,1352 12.811,1353 4.807,1354 4,1355 71.937,1356 288,1357 271,1358 0.116,1359 297.594,1360 538.36,1361 717.89,1362 115492,1363 2.7,1364 30.183,1365 0.702,1366 0.554,1367 28.443,1368 23.816,1369 20.856,1370 0.444,1371 0.301,1372 13.949,1373 20.05,1374 13.644,1375 11.284,1376 20.068,1377 14.14,1378 18.751,1379 0.293,1380 0.161,1381 17.472,1382 10.286,1383 14.932,1384 0.187,1385 0.088,1386 14.381,1387 7.051,1388 12.742,1389 0.123,1390 0.047,1391 11.859,1392 4.882,1393 10.112,1394 0.078,1395 0.026,1396 9.911,1397 3.323,1398 0.193,1399 130.812,1400 0.178,1401 39.422,1402 0.293,1403 222,1404 773.142,1405 245.753,1406 690.324,1407 916.66,1408 644,1409 255,1410 649.469,1411 276.334,1412 645.655,1413 938.9,1414 607,1415 6.259}
{0 CHEMBL273051,1 1.577,2 13.968,3 2.267,4 5.137,5 118.117,6 6.993,7 0.324,8 4.209,9 4.345,10 3.723,11 3.674,12 5.239,13 3.651,14 4.791,15 4.988,16 4.041,17 4.081,18 5.777,19 4.021,20 5.078,21 5.334,22 4.083,23 4.181,24 6.039,25 4.093,26 5.013,27 5.265,28 4.015,29 4.098,30 6.012,31 4.026,32 4.937,33 5.157,34 3.898,35 4.075,36 5.924,37 3.992,38 4.944,39 5.175,40 3.823,41 4.099,42 5.947,43 3.965,44 5,45 5.285,46 3.68,47 4.033,48 5.785,49 3.866,50 4.895,51 5.191,52 3.608,53 3.824,54 5.793,55 3.696,56 0.182,57 0.934,58 14.037,59 5.457,60 10.74,61 7.762,62 0.409,63 1.467,64 26.784,65 8.906,66 32.491,67 13.51,68 0.724,69 1.7,70 37.905,71 10.581,72 65.243,73 17.181,74 0.627,75 1.571,76 35.751,77 9.58,78 65.345,79 15.181,80 0.616,81 1.461,82 32.787,83 9.565,84 61.039,85 14.224,86 0.615,87 1.469,88 32.548,89 11.035,90 76.467,91 16.282,92 0.409,93 1.436,94 35.208,95 11.088,96 43.907,97 17.396,98 0.524,99 1.222,100 32.772,101 8.608,102 57.11,103 13.961,104 5,105 45,106 0.255,107 0.557,108 0.728,109 0.838,110 0.864,111 0.864,112 3.471,113 0.987,114 -3.55,115 -3.53,116 -3.37,121 36.1,123 7,127 5,144 4,145 2,146 1,148 2,160 1,168 4,176 9,179 4,180 6,183 1,185 4,187 9,191 3,192 6,195 1,197 2,200 6,205 1,206 7,209 2,210 1,211 4,214 8,218 1,219 3,222 1,224 2,227 10,231 2,232 2,235 3,237 2,239 10,244 1,247 1,249 2,251 4,256 6,259 2,261 6,269 4,272 1,274 2,281 1705,282 21.449,283 21.449,284 21.449,285 21.449,286 21.449,287 19.578,288 25.912,289 13.173,290 21.724,291 16.83,292 16.83,293 16.83,294 16.83,295 16.83,296 13.865,297 30.492,298 6.278,299 17.258,300 4.354,301 2.486,302 1.43,303 0.754,304 0.59,305 0.59,306 4.172,311 1,312 1,313 950,314 4.123,317 100.448,318 230.131,322 264.538,325 2.106,326 29.668,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 68,338 433,339 4.64,340 3.981,341 6.829,342 4.207,343 3.226,344 4.564,345 2.158,346 11.348,347 3.162,348 4.169,349 3.549,350 6.022,351 3.762,352 2.796,353 3.705,354 1.513,355 8.55,356 2.701,357 3.914,358 3.361,359 5.982,360 3.524,361 2.532,362 3.437,363 0.4,364 8.37,365 2.512,366 3.654,367 3.145,368 5.381,369 3.369,370 2.377,371 2.893,372 0.4,373 6.711,374 2.342,375 3.521,376 2.669,377 5.035,378 3.132,379 2.178,380 2.824,381 0.147,382 6.093,383 2.075,384 3.09,385 2.356,386 4.324,387 2.802,388 1.822,389 2.142,391 4.29,392 1.783,393 2.939,394 2.246,395 4.116,396 2.615,397 1.639,398 2.101,400 3.555,401 1.595,402 2.715,403 1.86,404 3.961,405 2.505,406 1.514,407 1.736,409 3.329,410 1.498,411 2.568,412 1.601,413 3.686,414 2.345,415 1.347,416 1.582,418 3.192,419 1.343,420 2.486,421 1.451,422 3.594,423 2.242,424 1.247,425 1.485,427 2.902,428 1.24,429 2.258,430 1.35,431 3.522,432 2.131,433 1.187,434 1.223,436 2.589,437 1.112,438 2.094,439 1.319,440 3.369,441 1.95,442 0.978,443 1.051,445 2.243,446 0.947,447 1.878,448 1.193,449 3.088,450 1.634,451 0.684,452 0.771,454 1.579,455 0.646,456 1.744,457 1.072,458 3,459 1.591,460 0.618,461 0.618,463 1.372,464 0.6,465 1.618,466 0.808,467 2.894,468 1.49,469 0.518,470 0.602,472 1.14,473 0.5,474 14.4,475 0.465,476 0.538,477 0.017,478 34.5,479 1.113,480 14.5,481 0.468,482 20,483 0.645,484 29.214,485 0.942,486 35.4,487 0.58,488 25.305,489 0.816,490 6.504,491 0.21,492 8.716,493 0.281,494 0.046,496 0.264,501 0.541,502 1.302,503 0.822,504 1.192,505 0.478,506 1.076,507 0.682,508 1.251,509 0.942,510 1.153,511 0.51,512 1.1,513 0.771,514 1.044,515 0.903,516 0.934,517 0.739,518 0.927,519 1.181,520 0.894,521 1.015,522 0.87,523 1.201,524 0.896,525 1.512,526 0.94,527 1.269,528 0.997,529 1.44,530 1.082,531 0.805,532 1.081,533 1.151,534 1.226,535 0.673,536 1.259,537 0.675,538 1.075,539 0.953,540 1.124,541 0.682,542 1.096,543 1.071,544 0.854,545 0.932,546 0.854,547 1.235,548 0.864,549 4,550 0.111,551 3.111,552 1.715,553 1.45,554 0.573,555 0.397,556 0.214,557 0.21,558 0.2,559 15851,560 38255,561 2.123,562 49.2,563 6,564 14,567 2,568 2,569 4,570 2,572 1.729,573 2.044,574 3.687,575 0.257,577 1,582 96.196,583 1.577,584 3.445,585 4.501,586 5.177,587 5.341,588 5.341,589 2.997,590 4.245,591 4.929,592 3.965,593 1843.82,594 8.565,595 28941.4,597 1,600 361.775,601 1.14,602 4.91,603 0.118,604 0.004,605 0.069,606 0.038,607 0.035,608 0.015,609 0.012,610 0.008,611 0.008,612 0.008,613 0.315,614 0.33,615 1,616 0.415,617 166.38,618 0.217,619 0.042,620 0.077,621 -0.004,622 0.067,623 0.001,624 0.142,625 -0.074,626 -0.006,627 -0.07,628 0.1,629 -0.07,630 0.144,631 -0.028,632 0.076,633 0.038,634 0.084,635 0.05,636 -0.087,637 0.131,638 -0.01,639 0.072,640 -0.082,641 0.052,642 -0.257,643 0.106,644 -0.264,646 -0.233,647 -0.116,648 0.103,649 -0.061,650 -0.199,651 -0.166,652 0.146,653 -0.233,654 0.041,655 -0.159,656 -0.002,657 -0.122,658 -0.001,659 -0.078,660 -0.051,661 0.023,662 0.079,663 0.053,664 -0.068,665 0.085,666 1.953,667 4.886,668 0.613,669 33.742,670 1.003,671 1.141,672 2.324,673 5.403,674 0.632,675 3.555,676 3.829,677 4.094,678 4.344,679 4.533,680 4.595,681 4.682,682 4.771,683 4.828,684 4.7,685 8.574,686 0.6,687 426.58,688 3.555,689 5.069,690 5.905,691 6.763,692 7.62,693 8.489,694 9.357,695 10.233,696 11.109,697 11.99,698 9.8,701 1,703 1,705 1,708 1,711 1,712 1,714 2,715 4,716 1,720 3,722 11,734 1,741 61,743 14,744 1,745 34,747 64,748 22,749 9,750 2,751 4,756 4,757 7,767 6,770 7,772 10,773 12,777 3,779 1,782 2,785 1,786 1,790 1,793 30,794 8,795 2,796 9,802 6,808 0.5,809 3,822 1,825 1,828 1,829 3,833 2,843 1,859 2,868 31,876 12,877 2,878 1,881 1,893 4.9,896 2,898 1,901 15.167,902 10.633,903 6.972,904 4.072,907 2.797,908 1.363,909 0.97,910 7.679,911 10.5,912 3.773,913 4.311,914 4.84,915 5.385,916 5.938,917 6.264,918 6.607,919 6.939,920 7.232,921 7.059,922 0.889,923 45,924 11.52,926 4.849,927 0.026,929 7.71,931 22.398,933 18.501,936 2.21,937 68.5,941 329.591,942 86.783,943 78.013,945 61.737,948 86.783,949 391.328,950 78.013,952 51.695,953 37.905,954 90.019,955 27.637,956 19.277,957 329.591,959 329.591,960 164.796,961 61.737,964 261.891,965 132.364,968 56.67,969 51.125,970 54.074,972 329.591,973 139.75,974 86.783,977 329.591,978 48.878,979 43.834,980 36.022,981 97.8,982 329.591,983 139.75,984 86.783,986 0.564,987 0.329,988 0.182,989 0.094,990 20,991 8,992 0.141,993 9,994 2,995 1.211,996 4.475,997 262.041,998 0.211,999 19,1000 149.58,1005 21.94,1006 10.849,1007 5.703,1008 2.184,1009 136.823,1010 8.245,1011 4.862,1015 3.735,1017 36.022,1018 556.124,1019 42.5,1021 0.434,1024 23.549,1027 3.425,1028 -0.287,1031 61.196,1032 69.6,1034 0.266,1035 0.581,1036 0.759,1037 0.873,1038 0.9,1039 0.9,1040 4.996,1041 1.514,1042 5.849,1043 3.555,1044 4.511,1045 4.997,1046 2.665,1047 6.621,1048 4.462,1049 6.157,1050 1.347,1051 7.376,1052 3.329,1053 3.892,1054 4.82,1055 1.593,1056 7.476,1057 3.84,1058 7.449,1059 1.247,1060 9.013,1061 3.192,1062 6.047,1063 7.184,1064 3.808,1065 10.617,1066 5.951,1067 8.785,1068 1.187,1069 10.721,1070 2.902,1071 6.347,1072 7.918,1073 3.201,1074 12.394,1075 6.243,1076 10.161,1077 0.978,1078 12.476,1079 2.589,1080 7.89,1081 9.744,1082 5.151,1083 15.038,1084 7.752,1085 11.565,1086 0.684,1087 14.266,1088 2.243,1089 8.633,1090 10.886,1091 4.839,1092 17.183,1093 8.48,1094 12.991,1095 0.618,1096 16.078,1097 1.579,1098 9.928,1099 12.512,1100 6.568,1101 19.674,1102 9.749,1103 3.226,1104 0.518,1105 17.909,1106 1.372,1107 10.887,1108 13.847,1109 6.476,1110 21.974,1111 10.69,1112 2.796,1113 11.348,1114 19.753,1115 1.14,1116 12.083,1117 15.397,1118 8.023,1119 24.418,1120 11.864,1121 2.532,1122 8.55,1123 21.608,1124 4.564,1125 13.146,1126 16.824,1127 8.101,1128 26.787,1129 12.907,1130 2.377,1131 8.37,1132 23.472,1133 3.705,1134 14.309,1135 18.347,1136 9.499,1137 29.216,1138 14.049,1139 2.178,1140 6.711,1141 25.343,1142 3.437,1143 15.421,1144 19.818,1145 9.711,1146 31.617,1147 15.141,1148 1.822,1149 6.093,1150 27.22,1151 2.893,1152 16.575,1153 21.333,1154 10.988,1155 34.043,1156 16.276,1157 1.639,1158 4.29,1159 29.103,1160 2.824,1161 17.712,1162 22.826,1163 11.307,1164 36.458,1165 17.393,1166 14834,1167 23246,1168 23.345,1169 38.534,1170 49.24,1171 53.267,1172 50.386,1173 49.379,1174 49.444,1175 61.611,1176 9.237,1177 134.816,1178 48.225,1179 5.594,1180 5.981,1181 6.597,1182 5.255,1183 5.226,1184 7.564,1185 4.105,1186 18.879,1187 5.162,1188 10.63,1189 1.448,1190 1.567,1191 1.482,1192 1.452,1193 1.454,1194 1.812,1195 0.272,1196 3.965,1197 1.418,1198 4.114,1199 4.145,1200 4.074,1201 4.04,1202 7.478,1203 4.045,1204 3.92,1205 3.993,1206 3.854,1207 3.671,1208 7.429,1209 3.685,1210 3.734,1211 3.784,1212 3.621,1213 3.65,1214 4.972,1215 3.636,1216 3.715,1217 3.777,1218 3.6,1219 3.512,1220 4.784,1221 3.519,1222 3.546,1223 3.605,1224 3.427,1225 3.278,1226 4.413,1227 3.307,1228 3.413,1229 3.48,1230 3.32,1231 3.134,1232 4.272,1233 3.139,1234 3.248,1235 3.305,1236 3.116,1237 2.975,1238 4.256,1239 3.056,1240 3.137,1241 3.215,1242 3.006,1243 2.949,1244 4.047,1245 2.962,1246 0.136,1247 0.117,1248 0.201,1249 0.124,1250 0.095,1251 4.64,1252 0.134,1253 3.981,1254 0.063,1255 6.829,1256 0.334,1257 4.207,1258 0.093,1259 3.226,1260 4.564,1261 2.158,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.158,1267 2.163,1268 1.435,1269 2.163,1270 1.754,1271 1.709,1272 1.95,1273 2.002,1274 1.216,1275 1.917,1276 1.668,1277 1.601,1278 1.905,1279 1.887,1280 1.211,1281 1.901,1282 1.577,1283 1.507,1284 1.86,1285 1.872,1286 1.133,1287 1.872,1288 1.545,1289 1.466,1290 1.718,1291 1.751,1292 0.97,1293 1.793,1294 1.403,1295 1.349,1296 1.616,1297 1.674,1298 0.768,1299 1.659,1300 1.254,1301 1.202,1302 1.48,1303 1.456,1304 0.746,1305 1.462,1306 1.134,1307 1.058,1308 1.433,1309 1.37,1310 0.632,1311 1.381,1312 4.234,1314 5.517,1315 2.398,1316 6.999,1317 4.443,1318 8.584,1319 6.293,1320 10.234,1328 9.553,1329 6.386,1330 4.869,1333 1.547,1340 36.594,1341 96.196,1342 210.126,1343 274.556,1344 315.775,1345 325.775,1346 325.775,1347 56.392,1348 7.703,1349 107.6,1350 107.6,1351 23,1352 12.527,1353 3.907,1354 3.248,1355 49.953,1356 163,1357 145,1358 0.145,1359 224.491,1360 391.81,1361 539.518,1362 28472,1364 21.468,1365 0.693,1366 0.574,1367 21.468,1368 17.808,1369 15.22,1370 0.448,1371 0.329,1372 11.01,1373 14.492,1374 10.864,1375 8.97,1376 15.22,1377 11.183,1378 13.012,1379 0.289,1380 0.179,1381 13.012,1382 8.035,1383 10.936,1384 0.185,1385 0.098,1386 10.936,1387 5.794,1388 9.064,1389 0.119,1390 0.055,1391 9.064,1392 4.215,1393 6.983,1394 0.076,1395 0.03,1396 6.983,1397 2.761,1398 0.239,1399 96.482,1400 0.207,1401 30.108,1402 0.366,1403 158,1404 474.453,1405 177.296,1406 449.018,1407 610.5,1408 420,1409 183,1410 459.307,1411 203.546,1412 450.883,1413 653.26,1414 425,1415 7.45}
{0 CHEMBL273078,1 1.619,2 12.333,3 3.217,4 10.347,5 101.932,6 7.303,7 0.379,8 4.028,9 4.152,10 3.566,11 3.507,12 5.133,13 3.49,14 4.59,15 4.765,16 3.88,17 3.905,18 5.805,19 3.849,20 4.859,21 5.106,22 3.905,23 4.038,24 5.807,25 3.947,26 4.855,27 5.094,28 3.851,29 4.011,30 5.829,31 3.918,32 4.832,33 5.063,34 3.82,35 4.007,36 5.988,37 3.901,38 4.851,39 5.099,40 3.611,41 4.007,42 5.681,43 3.852,44 4.867,45 5.144,46 3.465,47 3.901,48 5.696,49 3.719,50 4.717,51 5.013,52 3.32,53 3.675,54 5.546,55 3.506,56 0.197,57 0.752,58 10.961,59 4.595,60 10.857,61 6.252,62 0.532,63 1.175,64 21.137,65 7.782,66 70.618,67 11.054,68 0.539,69 1.427,70 29.689,71 9.481,72 60.327,73 14.523,74 0.556,75 1.403,76 29.635,77 9.285,78 62.316,79 13.882,80 0.708,81 1.359,82 28.811,83 9.446,84 105.19,85 13.941,86 0.408,87 1.338,88 29.366,89 10.524,90 54.021,91 15.357,92 0.509,93 1.245,94 31.308,95 10.386,96 70.091,97 15.599,98 0.504,99 1.034,100 27.765,101 8.185,102 62.605,103 12.792,104 20,105 38,106 0.272,107 0.595,108 0.75,109 0.836,110 0.875,111 0.889,112 3.339,113 0.965,114 -3.44,115 -3.42,116 -3.27,121 37.3,123 6,127 3,144 4,145 2,146 1,148 2,160 1,168 3,176 9,179 3,180 4,183 1,185 4,187 9,191 1,192 4,195 1,197 4,200 6,205 1,206 3,209 2,211 4,214 8,218 2,219 2,222 2,223 1,224 2,227 12,232 3,239 12,244 4,247 1,249 2,251 8,256 2,259 1,261 2,264 2,269 2,272 2,274 4,281 1258,282 18.38,283 18.38,284 18.38,285 18.38,286 18.38,287 16.548,288 18.804,289 11.395,290 18.568,291 14.369,292 14.369,293 14.369,294 14.369,295 14.369,296 11.484,297 18.14,298 5.475,299 14.675,300 4.054,301 2.138,302 1.216,303 0.706,304 0.471,305 0.392,306 4.027,310 1,311 1,312 1,313 710,314 4.062,318 187.274,322 215.355,325 1.778,326 28.362,328 1,329 1,330 1,331 0.83,332 1,333 0.5,334 1,335 1,336 0.9,337 60,338 333,339 4.64,340 4.679,341 6.829,342 4.207,343 3.226,344 4.564,345 4.935,346 11.348,347 3.162,348 3.914,349 3.579,350 5.982,351 3.524,352 2.532,353 3.437,354 2.008,355 8.37,356 2.512,357 3.856,358 3.361,359 5.381,360 3.416,361 2.43,362 3.343,363 0.521,364 6.711,365 2.382,366 3.606,367 2.669,368 5.069,369 3.136,370 2.182,371 2.893,372 0.4,373 6.181,374 2.091,375 3.522,376 2.356,377 4.577,378 3.095,379 2.102,380 2.796,381 0.075,382 4.971,383 2.073,384 2.94,385 2.087,386 4.116,387 2.705,388 1.717,389 2.142,391 3.632,392 1.693,393 2.776,394 1.884,395 3.968,396 2.511,397 1.521,398 1.789,400 3.329,401 1.504,402 2.589,403 1.643,404 3.724,405 2.345,406 1.347,407 1.613,409 3.25,410 1.343,411 2.488,412 1.469,413 3.594,414 2.242,415 1.247,416 1.487,418 2.902,419 1.24,420 2.253,421 1.402,422 3.541,423 2.153,424 1.196,425 1.239,427 2.638,428 1.141,429 1.912,430 1.35,431 3.187,432 1.741,433 0.777,434 0.855,436 1.79,437 0.745,438 1.753,439 1.029,440 2.892,441 1.419,442 0.492,443 0.569,445 1.066,446 0.45,447 1.47,448 1,449 2.736,450 1.171,451 0.208,452 0.247,454 0.463,455 0.198,456 1.129,457 0.947,458 2.404,459 0.825,460 -0.142,461 -0.169,463 -0.347,464 -0.137,465 1,466 0.52,467 2.349,468 0.538,469 -0.445,470 -0.568,472 -1.091,473 -0.436,474 12.433,475 0.46,476 0.524,477 0.019,478 32.25,479 1.194,480 15,481 0.556,482 17.25,483 0.639,484 23.115,485 0.856,486 30.767,487 0.603,488 22.868,489 0.847,490 6.132,491 0.227,492 7.015,493 0.26,494 0.08,496 0.273,501 0.484,502 1.257,503 0.781,504 1.129,505 0.481,506 1.034,507 0.49,508 1.235,509 0.892,510 1.148,511 0.33,512 1.111,513 0.572,514 1.031,515 0.838,516 0.934,517 0.516,518 0.93,519 0.81,520 0.983,521 1.01,522 0.979,523 0.786,524 1.02,525 0.62,526 0.927,527 1.046,528 1.028,529 0.452,530 1.102,531 0.66,532 1.078,533 1.105,534 1.218,535 0.589,536 1.253,537 0.644,538 1.016,539 1.002,540 1.12,541 0.666,542 1.145,543 0.718,544 0.917,545 0.91,546 0.939,547 0.695,548 0.964,549 4,550 0.145,551 2.444,552 1.438,553 1.44,554 0.493,555 0.341,556 0.161,557 0.123,558 0.137,559 9573,560 29877,561 2.057,562 47.1,563 6,564 10,567 2,568 2,569 4,572 1.695,573 1.952,574 3.506,575 0.304,576 1,577 1,582 82.544,583 1.619,584 3.534,585 4.457,586 4.967,587 5.202,588 5.28,589 2.862,590 4.236,591 4.723,592 3.768,593 1322.4,594 8.172,595 18157.7,597 1,599 1,600 289.294,601 1.277,602 4.698,603 0.138,604 0.007,605 0.064,606 0.037,607 0.04,608 0.015,609 0.013,610 0.007,611 0.006,612 0.007,613 0.335,614 0.33,615 1,616 2.289,617 137.21,618 0.195,619 0.055,620 0.057,621 0.043,622 0.033,623 0.016,624 0.28,625 -0.09,626 0.001,627 -0.048,628 0.275,629 -0.078,630 0.08,631 0.007,632 0.09,633 0.076,634 0.039,635 0.087,636 -0.047,637 0.066,638 -0.069,639 0.013,640 -0.068,641 -0.026,642 0.135,643 0.128,644 -0.114,645 -0.015,646 0.225,647 -0.098,648 -0.052,649 -0.086,650 -0.195,651 -0.164,652 -0.045,653 -0.203,654 0.026,655 -0.122,656 -0.053,657 -0.111,658 -0.014,659 -0.106,660 0.026,661 -0.055,662 0.074,663 0.012,664 -0.01,665 0.045,666 2.969,667 4.345,668 0.519,669 27.874,670 1.011,671 1.137,672 2.214,673 4.9,674 0.636,675 3.401,676 3.664,677 3.892,678 4.159,679 4.431,680 4.466,681 4.585,682 4.673,683 4.727,684 4.585,685 7.438,686 0.612,687 372.47,688 3.401,689 4.905,690 5.727,691 6.583,692 7.437,693 8.308,694 9.179,695 10.06,696 10.941,697 11.83,698 7.8,703 1,705 1,708 1,710 1,714 2,715 4,716 1,720 3,722 11,734 1,741 51,743 14,744 1,745 29,747 53,748 19,749 9,750 2,751 4,756 3,757 6,767 4,770 6,772 10,773 9,777 3,779 1,782 3,786 1,789 1,790 1,793 24,794 7,795 2,796 8,802 4,808 0.333,809 4,822 1,829 3,833 2,843 1,859 1,868 27,876 9,877 2,878 1,893 7.8,896 1,897 1,899 2,901 13.833,902 8.9,903 6.111,904 3.325,907 2.553,908 1.348,909 0.952,910 6.964,911 9.884,912 3.651,913 4.197,914 4.687,915 5.279,916 5.893,917 6.195,918 6.57,919 6.909,920 7.205,921 7.019,922 0.875,923 39,924 9.982,926 4.157,927 0.026,929 7.944,931 19.042,933 15.442,936 2.444,937 66,940 1,941 258.964,942 80.037,943 61.091,945 87.111,948 80.037,949 346.075,950 61.091,951 8.284,952 42.022,953 37.905,954 75.865,955 13.416,957 258.964,958 50.747,959 258.964,960 141.128,961 87.111,964 211.88,965 72.229,966 61.966,968 46.923,969 59.409,970 34.796,972 258.964,973 148.202,974 80.037,977 258.964,978 42.132,979 46.189,980 36.022,981 103.896,982 258.964,983 148.202,984 80.037,986 0.561,987 0.31,988 0.172,989 0.103,990 16,991 7,992 0.17,993 9,994 2,995 1.286,996 4.005,997 214.063,998 0.286,999 14,1000 126.382,1005 19.526,1006 9.629,1007 5.376,1008 2.182,1009 139.918,1010 8.208,1011 4.836,1015 3.74,1017 36.022,1018 487.203,1019 37.5,1021 -0.969,1024 31.425,1028 -0.478,1031 51.552,1032 57.983,1034 0.285,1035 0.623,1036 0.786,1037 0.876,1038 0.917,1039 0.931,1040 4.858,1041 1.347,1042 5.673,1043 3.329,1044 4.344,1045 4.883,1046 3.864,1047 6.438,1048 4.302,1049 6.031,1050 1.247,1051 7.194,1052 3.25,1053 3.761,1054 4.771,1055 4.403,1056 7.298,1057 3.73,1058 7.326,1059 1.196,1060 8.825,1061 2.902,1062 5.866,1063 7.082,1064 6.621,1065 10.443,1066 5.783,1067 8.662,1068 0.777,1069 10.529,1070 2.638,1071 6.155,1072 7.834,1073 7.835,1074 12.237,1075 6.074,1076 10.036,1077 0.492,1078 12.283,1079 1.79,1080 7.699,1081 9.647,1082 9.673,1083 14.904,1084 7.579,1085 11.437,1086 0.208,1087 14.073,1088 1.066,1089 8.435,1090 10.798,1091 11.112,1092 17.074,1093 8.307,1094 12.86,1095 -0.142,1096 15.89,1097 0.463,1098 9.741,1099 12.426,1100 12.811,1101 19.585,1102 9.584,1103 3.226,1104 -0.445,1105 17.727,1106 -0.347,1107 10.706,1108 13.77,1109 14.339,1110 21.906,1111 10.534,1112 2.532,1113 11.348,1114 19.58,1115 -1.091,1116 11.917,1117 15.327,1118 15.981,1119 24.363,1120 11.721,1121 2.43,1122 8.37,1123 21.445,1124 4.564,1125 12.991,1126 16.763,1127 17.547,1128 26.745,1129 12.776,1130 2.182,1131 6.711,1132 23.32,1133 3.437,1134 14.168,1135 18.293,1136 19.163,1137 29.184,1138 13.932,1139 2.102,1140 6.181,1141 25.202,1142 3.343,1143 15.294,1144 19.772,1145 20.746,1146 31.592,1147 15.037,1148 1.717,1149 4.971,1150 27.09,1151 2.893,1152 16.462,1153 21.293,1154 22.351,1155 34.025,1156 16.183,1157 1.521,1158 3.632,1159 28.984,1160 2.796,1161 17.611,1162 22.793,1163 23.942,1164 36.444,1165 17.312,1166 9410,1167 16872,1168 19.474,1169 32.455,1170 41.815,1171 45.361,1172 43.055,1173 41.867,1174 41.956,1175 53.947,1176 15.878,1177 113.3,1178 41.069,1179 5.597,1180 6.679,1181 6.653,1182 5.247,1183 5.226,1184 7.564,1185 8.238,1186 18.879,1187 5.162,1188 12.444,1189 1.442,1190 1.564,1191 1.485,1192 1.444,1193 1.447,1194 1.86,1195 0.548,1196 3.907,1197 1.416,1198 4.113,1199 4.143,1200 4.073,1201 4.04,1202 7.823,1203 4.044,1204 3.786,1205 3.828,1206 3.738,1207 3.651,1208 7.429,1209 3.637,1210 3.732,1211 3.78,1212 3.618,1213 3.565,1214 6.999,1215 3.565,1216 3.673,1217 3.713,1218 3.563,1219 3.331,1220 4.972,1221 3.377,1222 3.466,1223 3.521,1224 3.375,1225 3.167,1226 4.414,1227 3.178,1228 3.281,1229 3.334,1230 3.155,1231 2.994,1232 4.348,1233 3.067,1234 3.153,1235 3.227,1236 3.027,1237 2.941,1238 4.254,1239 2.969,1240 3.062,1241 3.145,1242 2.859,1243 2.808,1244 4.075,1245 2.841,1246 0.16,1247 0.161,1248 0.235,1249 0.145,1250 0.111,1251 4.64,1252 0.157,1253 4.679,1254 0.17,1255 6.829,1256 0.391,1257 4.207,1258 0.109,1259 3.226,1260 4.564,1261 4.935,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.435,1269 2.163,1270 1.754,1271 1.709,1272 1.96,1273 1.962,1274 1.286,1275 1.936,1276 1.712,1277 1.646,1278 1.945,1279 1.879,1280 1.143,1281 1.901,1282 1.484,1283 1.444,1284 1.679,1285 1.871,1286 0.844,1287 1.793,1288 1.308,1289 1.252,1290 1.534,1291 1.666,1292 0.754,1293 1.616,1294 1.17,1295 1.118,1296 1.449,1297 1.461,1298 0.7,1299 1.448,1300 1.126,1301 1.055,1302 1.396,1303 1.352,1304 0.599,1305 1.381,1306 1.012,1307 0.959,1308 1.181,1309 1.305,1310 0.286,1311 1.33,1312 4.078,1314 5.352,1316 6.828,1318 8.415,1320 10.074,1328 6.843,1329 6.187,1330 4.025,1340 31.213,1341 82.544,1342 180.235,1343 227.294,1344 253.294,1345 265.294,1346 269.294,1347 49.536,1348 7.331,1349 109.07,1350 109.07,1351 18,1352 12.362,1353 3.907,1354 3.248,1355 47.394,1356 118,1357 131,1358 0.189,1359 193.515,1360 339.06,1361 463.937,1362 16193,1364 19.062,1365 0.706,1366 0.563,1367 19.062,1368 15.201,1369 13.148,1370 0.453,1371 0.322,1372 9.19,1373 12.496,1374 9.066,1375 7.505,1376 13.148,1377 9.333,1378 11.384,1379 0.3,1380 0.174,1381 11.384,1382 6.617,1383 8.862,1384 0.185,1385 0.098,1386 8.862,1387 4.698,1388 7.308,1389 0.116,1390 0.054,1391 7.308,1392 3.428,1393 6.369,1394 0.077,1395 0.031,1396 6.369,1397 2.563,1398 0.308,1399 83.625,1400 0.227,1401 26.566,1402 0.49,1403 134,1404 452.898,1405 151.538,1406 425.681,1407 563.07,1408 394,1409 153,1410 409.586,1411 168.688,1412 401.904,1413 579.43,1414 377,1415 7.646}
{0 CHEMBL273904,1 1.326,2 4.636,3 2.283,4 5.214,5 44.026,6 6.618,7 0.545,8 3.203,9 3.308,10 2.663,11 2.666,12 4.306,13 2.64,14 3.696,15 3.883,16 2.88,17 2.922,18 4.674,19 2.889,20 3.671,21 3.803,22 2.945,23 3.002,24 4.761,25 2.949,26 3.811,27 4.019,28 2.712,29 2.941,30 4.751,31 2.83,32 3.799,33 4.045,34 2.201,35 2.74,36 4.628,37 2.567,38 3.454,39 3.748,40 1.386,41 2.403,42 4.119,43 2.103,44 3.23,45 3.66,46 0.503,47 1.845,48 3.526,49 1.396,50 2.195,51 2.648,52 0.062,53 0.835,54 2.303,55 0.485,56 0.004,57 0.277,58 5.33,59 2.327,60 5.444,61 2.982,62 0.143,63 0.394,64 9.456,65 3.28,66 13.247,67 4.291,68 0.153,69 0.418,70 8.968,71 3.518,72 12.944,73 4.592,74 0.084,75 0.445,76 10.413,77 3.787,78 13.748,79 5.178,80 0.22,81 0.392,82 10.758,83 3.327,84 18.876,85 4.61,86 0.086,87 0.29,88 7.241,89 2.576,90 10.449,91 3.8,92 0.067,93 0.2,94 5.836,95 1.852,96 8.183,97 3.056,98 0.029,99 0.059,100 1.962,101 0.557,102 2.875,103 0.965,104 14,105 14,106 0.282,107 0.555,108 0.675,109 0.738,110 0.756,111 0.775,112 2.523,113 0.944,114 -3.13,115 -3.12,116 -3,121 39.1,122 1,126 2,144 3,145 1,146 2,176 4,180 2,187 4,191 1,192 4,200 2,206 3,219 1,281 84,282 7.378,283 7.378,284 7.378,285 7.378,286 7.378,287 6.602,288 9.658,289 4.348,290 7.722,291 5.276,292 5.276,293 5.276,294 5.276,295 5.276,296 4.049,297 10.718,298 1.864,299 5.636,300 3.198,301 1.915,302 1.349,303 1.055,304 0.968,305 0.881,306 3.11,312 1,313 97,314 1.871,318 34.381,325 0.76,326 6.348,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 24,338 51,339 4.252,340 3.199,341 6.155,342 3.834,343 2.884,344 3.898,345 0.86,346 9.071,347 2.738,348 3.468,349 2.42,350 4.954,351 3.102,352 2.126,353 2.783,354 0.86,355 5.785,356 2.063,357 2.919,358 2.168,359 4.352,360 2.521,361 1.609,362 2.057,364 4.105,365 1.461,366 1.915,367 1.104,368 3.025,369 1.606,370 0.708,371 0.83,373 1.267,374 0.629,375 1.469,376 0.935,377 2.55,378 1.207,379 0.356,380 0.386,382 0.476,383 0.3,384 0.94,385 0.176,386 2.305,387 0.646,388 -0.297,389 -0.348,391 -0.512,392 -0.276,393 0.589,394 -0.351,395 1.842,396 0.159,397 -0.786,398 -0.966,400 -1.83,401 -0.729,402 0.007,403 -0.805,404 1.124,405 -0.23,406 -1.18,407 -1.429,409 -2.902,410 -1.103,411 -0.466,412 -1.281,413 0.758,414 -0.781,415 -1.697,416 -2.019,418 -4.373,419 -1.489,420 -0.5,421 -1.447,422 0.489,423 -0.863,424 -1.723,425 -2.194,426 -0.86,427 -4.844,428 -1.595,429 -0.592,430 -2,431 0.446,432 -1,433 -2,434 -3,435 -0.86,436 -6.242,437 -2,474 5.167,475 0.47,476 0.226,477 0.021,478 13.5,479 1.227,480 7,481 0.636,482 6.5,483 0.591,484 6.239,485 0.567,486 12.833,487 0.558,488 7.504,489 0.682,490 3.025,491 0.275,492 2.25,493 0.205,494 0.29,496 0.29,501 0.881,502 1.399,503 0.889,504 1.358,505 0.911,506 1.158,507 1.534,508 0.689,509 0.888,510 0.664,511 1.264,512 0.659,513 0.926,514 1.303,515 1.07,516 1.293,517 0.893,518 1.22,519 1.043,520 1.324,521 1.122,522 1.313,523 0.997,524 1.243,525 1.661,526 0.886,527 1.394,528 0.91,529 1.629,530 1.077,531 0.688,532 1.189,533 1.254,534 1.231,535 0.993,536 1.329,537 0.032,538 0.445,539 0.363,540 0.46,541 0.196,542 0.47,549 2.5,551 1.333,552 0.688,553 0.653,554 0.181,559 521,560 1384,561 1.849,562 52.2,563 3,564 9,572 1.432,573 1.692,574 2.337,575 -0.79,582 30.493,583 1.326,584 2.609,585 3.175,586 3.469,587 3.556,588 3.642,589 1.823,590 3.278,591 3.43,592 2.336,593 128.486,594 5.616,595 853.559,597 1,600 104.042,601 1.539,602 3.356,603 0.227,605 0.095,606 0.049,607 0.065,608 0.036,613 0.473,614 1,615 1,616 1.273,617 36.286,618 0.005,619 -0.224,620 0.053,621 -0.198,622 -0.036,623 -0.083,624 -0.193,625 0.32,626 0.14,627 0.327,628 -0.081,629 0.298,630 0.183,631 -0.2,632 -0.096,633 -0.21,634 0.125,635 -0.204,636 -0.067,637 -0.337,638 -0.17,639 -0.33,640 -0.035,641 -0.277,642 -0.325,643 0.004,644 -0.387,645 -0.032,646 -0.41,647 -0.194,648 -0.082,649 -0.302,650 -0.371,651 -0.327,652 -0.249,653 -0.391,654 0.22,655 0.275,656 0.501,657 0.312,658 0.357,659 0.437,660 0.286,661 0.639,662 0.887,663 0.698,664 0.589,665 0.873,666 0.891,667 1.592,668 0.545,669 4.628,670 0.998,671 1.127,672 1.897,673 3.599,674 0.629,675 2.485,676 2.708,677 2.89,678 2.996,679 3.045,680 2.639,681 1.946,682 1.099,683 0.693,685 3.057,686 0.591,687 152.21,688 2.485,689 3.932,690 4.727,691 5.557,692 6.375,693 7.207,694 8.03,695 8.861,696 9.685,697 10.517,715 3,720 3,722 6,739 2,741 23,743 6,744 1,745 11,747 23,748 9,749 6,750 3,751 3,756 1,757 1,763 1,772 6,773 3,793 12,794 2,796 2,808 1,809 2,829 1,859 1,864 3,868 11,878 2,893 8.7,898 2,901 6.5,902 5.083,903 2.694,904 1.174,907 1.247,908 1.263,909 0.885,910 2.629,911 5.991,912 2.708,913 3.239,914 3.744,915 4.188,916 4.615,917 4.365,918 3.785,919 2.784,920 2.151,922 1,923 14,924 4.013,925 -0.011,926 1.487,927 -0.015,929 7.682,931 7.635,932 -0.004,933 5.423,934 -0.008,936 2.182,937 24,938 0.016,941 141.253,942 72.692,945 22,948 72.692,949 163.253,951 30.591,953 28.429,955 35.672,957 141.253,959 141.253,960 72.692,961 22,964 141.253,965 22,968 8.825,969 63.867,972 141.253,973 22,974 72.692,977 141.253,978 13.672,979 59.02,981 22,982 141.253,983 22,984 72.692,986 0.552,987 0.341,988 0.179,989 0.09,990 6,991 3,992 0.087,993 2,995 1,996 2.206,997 55.669,999 6,1000 38.054,1005 8.241,1006 3.51,1007 1.79,1009 22,1010 5.828,1015 2.73,1018 235.945,1019 14,1031 22.956,1032 25.91,1034 0.293,1035 0.577,1036 0.702,1037 0.767,1038 0.786,1039 0.805,1040 3.861,1041 -1.18,1042 4.691,1043 -1.83,1044 3.367,1045 3.912,1046 1.376,1047 5.434,1048 3.257,1049 5.045,1050 -1.697,1051 6.221,1052 -2.902,1053 2.944,1054 3.726,1056 6.293,1057 2.809,1058 6.336,1059 -1.723,1060 7.85,1061 -4.373,1062 4.89,1063 6.078,1064 1.159,1065 9.277,1066 4.693,1067 7.668,1068 -2,1069 9.535,1070 -4.844,1071 5.252,1072 6.648,1074 10.917,1075 4.995,1076 9.028,1078 11.254,1079 -6.242,1080 6.688,1081 8.511,1082 0.963,1083 13.428,1084 6.402,1085 10.407,1087 12.997,1089 7.419,1090 9.438,1092 15.389,1093 7.053,1094 11.8,1096 14.756,1098 8.64,1099 11.077,1100 0.787,1101 17.726,1102 8.252,1103 2.884,1105 16.528,1107 9.546,1108 12.192,1110 19.824,1111 9.077,1112 2.126,1113 9.071,1114 18.309,1116 10.674,1117 13.713,1118 0.634,1119 22.088,1120 10.179,1121 1.609,1122 5.785,1123 20.098,1124 3.898,1125 11.662,1126 14.933,1128 24.245,1129 11.091,1130 0.708,1131 4.105,1132 21.893,1133 2.783,1134 12.751,1135 16.388,1136 0.504,1137 26.477,1138 12.146,1139 0.356,1140 1.267,1141 23.693,1142 2.057,1143 13.777,1144 17.666,1146 28.66,1147 13.103,1148 -0.297,1149 0.476,1150 25.496,1151 0.83,1152 14.849,1153 19.083,1154 0.395,1155 30.878,1156 14.135,1157 -0.786,1158 -0.512,1159 27.302,1160 0.386,1161 15.892,1162 20.395,1164 33.073,1165 15.116,1166 623,1167 1065,1168 6.762,1169 14.477,1170 15.318,1171 15.908,1172 16.617,1173 15.266,1174 15.365,1175 19.91,1176 3.44,1177 41.406,1178 14.383,1179 4.844,1180 5.199,1181 5.709,1182 4.834,1183 4.884,1184 6.898,1185 1.72,1186 15.312,1187 4.738,1188 5.942,1189 1.393,1190 1.446,1191 1.511,1192 1.388,1193 1.397,1194 1.81,1195 0.313,1196 3.764,1197 1.308,1198 3.93,1199 3.947,1200 3.876,1201 3.848,1202 4.933,1203 3.851,1204 3.33,1205 3.387,1206 3.172,1207 3.101,1208 4.496,1209 3.108,1210 3.247,1211 3.314,1212 3.051,1213 2.952,1214 4.348,1215 2.96,1216 3.018,1217 3.121,1218 2.754,1219 2.808,1220 3.728,1221 2.781,1222 2.762,1223 2.838,1224 2.553,1225 2.62,1226 3.478,1227 2.593,1228 2.425,1229 2.509,1230 2.16,1231 2.226,1232 3.119,1233 2.197,1234 1.617,1235 1.761,1236 1.349,1237 1.178,1238 2.819,1239 1.153,1240 1.531,1241 1.56,1242 1.134,1243 0.935,1244 2.447,1245 1.024,1246 0.387,1247 0.291,1248 0.56,1249 0.349,1250 0.262,1251 4.252,1252 0.354,1253 3.199,1254 0.078,1255 6.155,1256 0.825,1257 3.834,1258 0.249,1259 2.884,1260 3.898,1261 0.86,1262 9.071,1263 2.738,1264 1.896,1265 1.878,1266 2.01,1267 2.002,1268 1.119,1269 2.003,1270 1.285,1271 1.226,1272 1.615,1273 1.567,1274 0.633,1275 1.584,1276 1.191,1277 1.115,1278 1.576,1279 1.523,1280 0.574,1281 1.539,1282 1.053,1283 0.954,1284 1.448,1285 1.303,1286 0.511,1287 1.359,1288 0.792,1289 0.721,1290 1.085,1291 0.98,1292 0.153,1293 1.02,1294 0.439,1295 0.359,1296 0.748,1297 0.679,1299 0.707,1302 0.224,1303 0.085,1305 0.143,1312 3.135,1314 4.369,1316 5.832,1318 7.397,1320 9.01,1322 5.284,1330 10.158,1340 13.59,1341 30.493,1342 60.003,1343 73.022,1344 79.777,1345 81.777,1346 83.777,1347 10.145,1348 4.745,1349 18.46,1350 18.46,1351 6,1352 11.09,1353 2.807,1354 2,1355 19.021,1356 20,1357 17,1358 0.537,1359 88.918,1360 150.66,1361 208.721,1362 411,1364 8.268,1365 0.752,1366 0.641,1367 8.268,1368 7.049,1369 5.274,1370 0.479,1371 0.315,1372 3.379,1373 4.969,1374 3.158,1375 2.735,1376 5.274,1377 3.463,1378 4.255,1379 0.304,1380 0.168,1381 4.255,1382 2.358,1383 3.451,1384 0.203,1385 0.091,1386 3.451,1387 1.539,1388 2.599,1389 0.137,1390 0.05,1391 2.599,1392 0.943,1393 1.901,1394 0.095,1395 0.03,1396 1.901,1397 0.597,1398 0.758,1399 33.877,1400 0.385,1401 10.893,1402 1.703,1403 50,1404 173.471,1405 55.757,1406 158.732,1407 211.67,1408 150,1409 56,1410 146.091,1411 62.09,1412 151.195,1413 213.06,1414 137,1415 5.355}
{0 CHEMBL275537,1 1.528,2 14.2,3 4.159,4 17.296,5 112.118,6 6.957,7 0.385,8 4.057,9 4.182,10 3.651,11 3.599,12 4.985,13 3.498,14 4.628,15 4.84,16 3.896,17 3.955,18 5.445,19 3.814,20 4.736,21 4.924,22 3.863,23 4.021,24 5.551,25 3.83,26 4.911,27 5.211,28 3.895,29 4.052,30 5.553,31 3.799,32 4.647,33 4.855,34 3.657,35 3.883,36 5.452,37 3.711,38 4.722,39 4.985,40 3.559,41 3.909,42 5.378,43 3.651,44 4.484,45 4.721,46 3.666,47 3.773,48 5.176,49 3.53,50 4.581,51 4.877,52 3.446,53 3.767,54 5.137,55 3.457,56 0.048,57 0.777,58 14.642,59 6,60 9.457,61 7.702,62 0.257,63 1.246,64 32.505,65 10.2,66 19.033,67 12.444,68 0.446,69 1.288,70 34.446,71 11.872,72 27.362,73 14.409,74 0.244,75 1.454,76 44.068,77 14.642,78 25.707,79 17.618,80 0.354,81 1.122,82 28.77,83 10.037,84 26.182,85 12.426,86 0.266,87 1.254,88 35.934,89 11.756,90 20.909,91 14.718,92 0.203,93 1.007,94 26.732,95 9.68,96 15.707,97 11.82,98 0.215,99 1.099,100 37.272,101 11.766,102 14.672,103 13.238,104 25,105 33,106 0.258,107 0.465,108 0.641,109 0.653,110 0.665,111 0.665,112 3.264,113 1.262,114 -3.1,115 -3.09,116 -2.98,121 34.5,123 1,126 4,127 6,144 4,154 4,176 2,180 4,187 2,191 2,192 4,200 2,206 2,214 3,219 2,227 2,232 2,239 2,244 2,251 2,256 2,264 2,281 1010,282 16.568,283 16.568,284 16.568,285 16.568,286 16.568,287 15.38,288 23.523,289 10.377,290 17.203,291 12.916,292 12.916,293 12.916,294 12.916,295 12.916,296 11.072,297 30.332,298 5.056,299 13.864,300 4.253,301 3.022,302 1.982,303 1.909,304 1.837,305 1.837,306 3.929,311 1,312 1,313 728,314 4.123,317 174.314,325 2.208,326 11.417,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 53,338 355,339 4.124,340 4.274,341 5.675,342 3.75,343 2.764,344 3.735,345 3.272,346 7.971,347 2.728,348 4.124,349 4.224,350 5.675,351 3.75,352 2.763,353 3.735,354 3.272,355 7.971,356 2.728,357 3.373,358 3.006,359 5.03,360 3.18,361 2.248,362 2.509,363 0.916,364 6.085,365 2.098,366 3.368,367 2.987,368 5.029,369 3.175,370 2.24,371 2.506,372 0.916,373 6.083,374 2.096,375 2.941,376 2.719,377 4.339,378 2.756,379 1.866,380 1.969,381 0.172,382 4.352,383 1.654,384 2.908,385 2.65,386 4.337,387 2.683,388 1.755,389 1.947,390 0.172,391 4.337,392 1.625,393 2.749,394 2.263,395 3.815,396 2.572,397 1.621,398 1.764,400 3.566,401 1.516,402 2.327,403 2.212,404 3.406,405 2.017,406 1.214,407 1.308,409 2.598,410 0.95,411 2.213,412 1.733,413 3.28,414 1.762,415 0.786,416 1.088,418 1.817,419 0.761,420 2.164,421 1.689,422 3.257,423 1.709,424 0.723,425 1.034,427 1.716,428 0.709,429 1.659,430 0.766,431 2.905,432 1.404,433 0.531,434 0.595,436 1.191,437 0.452,438 1.045,439 0.758,440 2.512,441 0.854,442 -0.049,443 -0.053,445 -0.115,446 -0.043,447 0.826,448 0.514,449 2.376,450 0.648,451 -0.304,452 -0.334,454 -0.806,455 -0.287,456 0.76,457 0.049,458 2.247,459 0.556,460 -0.378,461 -0.418,463 -0.977,464 -0.349,465 0.382,466 0.046,467 1.806,468 0.154,469 -0.746,470 -0.812,472 -1.782,473 -0.642,474 12.633,475 0.505,476 0.561,477 0.022,478 23.5,479 0.94,480 8,481 0.32,482 15.5,483 0.62,484 26.786,485 1.071,486 29.367,487 0.534,488 13.05,489 0.522,490 3.936,491 0.157,492 8.089,493 0.324,494 0.158,496 0.222,501 0.917,502 1.475,503 0.837,504 1.117,505 0.926,506 1.146,507 1.394,508 0.971,509 1.325,510 1.123,511 0.916,512 0.926,513 1.501,514 1.213,515 1.253,516 1.261,517 1.7,518 1.311,519 0.578,520 0.888,521 0.821,522 0.893,523 0.488,524 0.808,525 2.093,526 0.919,527 1.086,528 0.889,529 2.068,530 1.055,531 0.841,532 1.125,533 1.269,534 1.252,535 1.029,536 1.151,537 0.782,538 1.121,539 0.942,540 1.099,541 0.947,542 1.152,543 0.581,544 0.987,545 1.61,546 1.371,547 0.505,548 0.939,549 5.5,550 0.066,551 1.111,552 1.514,553 0.65,554 0.647,555 0.234,556 0.175,557 0.112,558 0.129,559 8760,560 20054,561 1.973,562 54.5,564 28,570 2,572 1.667,573 1.852,574 3.778,575 -0.751,577 1,582 84.057,583 1.528,584 2.759,585 3.799,586 3.872,587 3.945,588 3.945,589 3.204,590 3.524,591 4.617,592 3.989,593 1196.82,594 7.914,595 16856.4,597 1,599 1,600 317.975,601 1.359,602 4.575,603 0.212,604 0.004,605 0.034,606 0.058,607 0.024,608 0.027,609 0.012,610 0.01,611 0.007,612 0.008,613 0.395,614 0.33,615 0.88,616 1.192,617 127.993,618 0.043,619 -0.25,620 0.099,621 -0.049,622 0.038,623 -0.042,624 -0.136,625 0.205,626 -0.087,627 0.017,628 0.106,629 0.088,630 -0.042,631 -0.161,632 -0.18,633 -0.183,634 -0.307,635 -0.284,636 0.122,637 0.042,638 0.223,639 0.13,640 0.281,641 0.18,642 -0.36,643 0.064,644 -0.151,645 0.058,646 -0.451,647 -0.084,648 -0.054,649 -0.119,650 -0.133,651 -0.147,652 -0.183,653 -0.132,654 0.042,655 -0.112,656 0.108,657 -0.02,658 -0.061,659 -0.113,660 0.018,661 0.054,662 -0.082,663 -0.022,664 0.108,665 0.113,666 0.635,667 2.326,668 0.4,669 27.68,670 0.989,671 1.129,672 1.865,673 3.478,674 0.652,675 3.296,676 3.526,677 3.611,678 3.829,679 3.761,680 3.784,681 3.761,682 3.526,683 3.497,684 3.497,685 8.462,686 0.586,687 382.65,688 3.296,689 4.779,690 5.549,691 6.375,692 7.165,693 7.996,694 8.796,695 9.629,696 10.436,697 11.269,698 3.6,701 2,715 4,718 2,720 4,722 10,741 55,743 10,745 26,747 56,748 19,749 8,756 2,757 2,770 1,772 8,773 11,790 1,792 2,793 30,794 4,796 6,797 2,802 2,808 1,809 2,828 2,855 2,859 2,860 2,862 2,864 4,868 25,876 7,879 2,881 2,893 3.6,898 2,901 13.5,902 10.9,903 5.667,904 3.056,907 1.567,908 1.239,909 0.924,910 9.382,911 8.116,912 3.466,913 3.922,914 4.314,915 4.821,916 4.798,917 4.879,918 4.922,919 4.562,920 4.551,921 4.582,922 1,923 26,924 9.26,926 3.596,927 0.026,929 7.413,931 18.431,933 14.277,936 1.913,937 47.833,939 1,940 1,941 353.133,942 168.07,943 6.249,945 19.015,947 64.439,948 103.63,949 372.148,950 6.249,951 33.586,952 10.345,953 37.905,955 25.263,956 21.795,957 417.572,959 353.133,960 109.879,961 19.015,962 64.439,964 329.591,965 42.557,968 16.593,969 93.286,971 64.439,972 353.133,973 25.263,974 168.07,977 353.133,978 96.579,979 77.739,981 19.015,982 353.133,983 25.263,984 168.07,986 0.557,987 0.278,988 0.155,989 0.076,990 12,991 6,992 0.214,993 12,995 1,996 3.986,997 171.016,999 10,1000 88.096,1001 2,1005 20.814,1006 11.268,1007 8.624,1009 25.263,1010 8.366,1013 11.652,1015 4.253,1018 546.466,1019 31,1031 54.381,1032 62.068,1034 0.264,1035 0.477,1036 0.657,1037 0.67,1038 0.682,1039 0.682,1040 4.659,1041 1.214,1042 5.485,1043 3.566,1044 4.205,1045 4.605,1046 3.847,1047 6.142,1048 4.092,1049 5.789,1050 0.786,1051 6.94,1052 2.598,1053 3.611,1054 4.205,1055 0.57,1056 6.676,1057 3.519,1058 7.028,1059 0.723,1060 8.483,1061 1.817,1062 5.645,1063 6.6,1064 6.135,1065 9.691,1066 5.477,1067 8.3,1068 0.531,1069 10.076,1070 1.716,1071 5.832,1072 7.09,1073 0.674,1074 11.046,1075 5.709,1076 9.606,1077 -0.049,1078 11.702,1079 1.191,1080 7.322,1081 8.908,1082 8.5,1083 13.52,1084 7.132,1085 10.936,1086 -0.304,1087 13.351,1088 -0.115,1089 7.897,1090 9.825,1091 0.66,1092 15.246,1093 7.753,1094 12.285,1095 -0.378,1096 15.016,1097 -0.806,1098 9.14,1099 11.382,1100 10.87,1101 17.498,1102 8.946,1103 2.764,1104 -0.746,1105 16.693,1106 -0.977,1107 9.922,1108 12.507,1109 0.611,1110 19.404,1111 9.762,1112 2.763,1113 7.971,1114 18.38,1115 -1.782,1116 11.046,1117 13.939,1118 13.241,1119 21.558,1120 10.849,1121 2.248,1122 7.971,1123 20.074,1124 3.735,1125 11.938,1126 15.165,1127 0.55,1128 23.551,1129 11.762,1130 2.24,1131 6.085,1132 21.775,1133 3.735,1134 13.004,1135 16.538,1136 15.613,1137 25.661,1138 12.802,1139 1.866,1140 6.083,1141 23.48,1142 2.509,1143 13.954,1144 17.811,1145 0.487,1146 27.696,1147 13.761,1148 1.755,1149 4.352,1150 25.19,1151 2.506,1152 14.993,1153 19.155,1154 17.984,1155 29.786,1156 14.78,1157 1.621,1158 4.337,1159 26.903,1160 1.969,1161 15.973,1162 20.452,1163 0.427,1164 31.842,1165 15.762,1166 8776,1167 13402,1168 16.989,1169 35.875,1170 37.669,1171 42.944,1172 37.649,1173 37.039,1174 37.018,1175 44.376,1176 17.445,1177 95.372,1178 34.636,1179 5.067,1180 6.035,1181 5.539,1182 4.886,1183 4.764,1184 6.347,1185 6.545,1186 13.549,1187 4.616,1188 13.903,1189 1.449,1190 1.652,1191 1.448,1192 1.425,1193 1.424,1194 1.707,1195 0.671,1196 3.668,1197 1.332,1198 3.965,1199 3.98,1200 4.026,1201 3.836,1202 5.044,1203 3.835,1204 3.928,1205 3.94,1206 3.944,1207 3.788,1208 5.024,1209 3.798,1210 3.617,1211 3.677,1212 3.761,1213 3.562,1214 4.278,1215 3.489,1216 3.543,1217 3.63,1218 3.639,1219 3.347,1220 4.266,1221 3.323,1222 3.526,1223 3.605,1224 3.373,1225 3.298,1226 4.065,1227 3.302,1228 3.18,1229 3.227,1230 3.342,1231 3.161,1232 3.712,1233 3.054,1234 3.024,1235 3.103,1236 2.92,1237 2.903,1238 3.622,1239 2.857,1240 2.874,1241 3.009,1242 2.628,1243 2.661,1244 3.619,1245 2.611,1246 0.159,1247 0.164,1248 0.218,1249 0.144,1250 0.106,1251 4.124,1252 0.144,1253 4.274,1254 0.126,1255 5.675,1256 0.307,1257 3.75,1258 0.105,1259 2.764,1260 3.735,1261 3.272,1262 7.971,1263 2.728,1264 1.673,1265 1.641,1266 1.869,1267 1.882,1268 1.239,1269 1.882,1270 1.647,1271 1.59,1272 1.867,1273 1.881,1274 1.034,1275 1.88,1276 1.644,1277 1.587,1278 1.832,1279 1.781,1280 1.032,1281 1.84,1282 1.55,1283 1.528,1284 1.691,1285 1.679,1286 0.954,1287 1.7,1288 1.46,1289 1.412,1290 1.671,1291 1.618,1292 0.867,1293 1.635,1294 1.302,1295 1.239,1296 1.536,1297 1.531,1298 0.671,1299 1.54,1300 1.278,1301 1.219,1302 1.524,1303 1.528,1304 0.656,1305 1.53,1306 0.963,1307 0.919,1308 1.417,1309 1.239,1310 0.494,1311 1.308,1312 3.97,1314 5.22,1315 3.045,1316 6.603,1317 5.283,1318 8.054,1319 7.248,1320 9.549,1322 8.224,1328 7.205,1331 3.892,1333 4.241,1340 32.222,1341 84.057,1342 151.763,1343 208.955,1344 212.955,1345 216.955,1346 216.955,1347 42.964,1348 6.548,1349 32.76,1350 83.36,1351 10,1352 11.845,1353 3.459,1354 2.585,1355 52.49,1356 130,1357 99,1358 0.191,1359 210.371,1360 356.78,1361 505.066,1362 6544,1364 18.071,1365 0.723,1366 0.697,1367 18.778,1368 17.42,1369 12.025,1370 0.462,1371 0.421,1372 8.694,1373 10.552,1374 8.034,1375 6.783,1376 13.025,1377 10.937,1378 10.694,1379 0.324,1380 0.269,1381 11.69,1382 8.881,1383 7.134,1384 0.198,1385 0.155,1386 8.246,1387 5.577,1388 6.039,1389 0.134,1390 0.095,1391 7.132,1392 4.283,1393 3.831,1394 0.091,1395 0.07,1396 4.885,1397 2.935,1398 0.324,1399 85.345,1400 0.243,1401 25.723,1402 0.466,1403 118,1404 322.482,1405 167.129,1406 344.855,1407 456.78,1408 326,1409 128,1410 294.105,1411 171.255,1412 318.464,1413 453.16,1414 290,1415 6.481}
{0 CHEMBL276444,1 1.413,2 20.9,3 5.383,4 28.971,5 165.177,6 6.282,7 0.238,8 4.524,9 4.661,10 3.927,11 3.987,12 5.494,13 3.939,14 5.103,15 5.319,16 4.193,17 4.349,18 5.985,19 4.263,20 5.369,21 5.636,22 4.179,23 4.463,24 6.195,25 4.325,26 5.42,27 5.696,28 4.174,29 4.512,30 6.205,31 4.353,32 5.494,33 5.777,34 4.167,35 4.543,36 6.306,37 4.38,38 5.468,39 5.738,40 4.068,41 4.532,42 6.259,43 4.355,44 5.425,45 5.718,46 3.955,47 4.446,48 6.177,49 4.251,50 5.294,51 5.581,52 3.904,53 4.323,54 6.062,55 4.146,56 0.084,57 1.215,58 21.566,59 8.369,60 12.837,61 12.043,62 0.304,63 1.899,64 38.698,65 12.795,66 31.548,67 19.499,68 0.732,69 2.205,70 50.37,71 16.039,72 61.359,73 24.684,74 0.518,75 2.313,76 52.167,77 17.672,78 52.559,79 27.006,80 0.734,81 2.351,82 56.469,83 19.05,84 82.067,85 28.418,86 0.618,87 2.311,88 55.005,89 18.889,90 65.37,91 27.956,92 0.602,93 2.17,94 52.294,95 17.863,96 61.567,97 26.736,98 0.472,99 1.911,100 45.929,101 15.503,102 51.319,103 23.338,104 21,105 52,106 0.213,107 0.493,108 0.687,109 0.772,110 0.801,111 0.821,112 3.716,113 1.074,114 -3.45,115 -3.43,116 -3.27,121 36.4,122 2,123 8,127 8,137 2,140 2,144 4,153 2,154 2,158 2,176 8,180 11,185 3,187 4,191 3,192 7,196 1,197 3,200 3,206 5,209 2,211 1,214 4,219 8,222 2,224 2,227 10,232 4,237 2,239 12,243 1,244 5,247 1,249 3,251 10,256 5,261 3,264 6,269 5,274 3,277 3,281 4184,282 27.534,283 27.534,284 27.534,285 27.534,286 27.534,287 25.511,288 35.214,289 17.268,290 27.949,291 20.676,292 20.676,293 20.676,294 20.676,295 20.676,296 17.645,297 46.698,298 8.165,299 21.265,300 5.046,301 3.194,302 1.903,303 1.338,304 1.148,305 1.017,306 4.401,312 1,313 1746,314 5.196,317 314.77,318 173.909,325 4.01,326 34.273,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 86,338 836,339 4.381,340 3.581,341 6.25,342 3.974,343 2.988,344 3.846,345 0.916,346 9.366,347 2.947,348 3.955,349 2.992,350 5.741,351 3.636,352 2.669,353 3.49,354 0.916,355 7.648,356 2.59,357 3.955,358 2.992,359 5.572,360 3.636,361 2.669,362 3.49,363 0.6,364 7.648,365 2.59,366 3.773,367 2.889,368 5.572,369 3.392,370 2.422,371 3.014,372 0.4,373 7.583,374 2.34,375 3.375,376 2.442,377 5.027,378 3.197,379 2.242,380 2.417,381 0.172,382 6.033,383 2.128,384 3.375,385 2.438,386 5.027,387 3.196,388 2.242,389 2.417,390 0.172,391 6.033,392 2.128,393 3.266,394 2.433,395 4.559,396 2.822,397 1.832,398 2.385,400 4.72,401 1.807,402 2.864,403 1.953,404 3.929,405 2.801,406 1.816,407 1.859,409 3.724,410 1.785,411 2.788,412 1.781,413 3.828,414 2.66,415 1.67,416 1.79,418 3.597,419 1.646,420 2.616,421 1.657,422 3.67,423 2.372,424 1.403,425 1.618,427 3.013,428 1.355,429 2.57,430 1.373,431 3.473,432 2.258,433 1.269,434 1.592,436 2.706,437 1.253,438 2.529,439 1.338,440 3.421,441 2.162,442 1.17,443 1.473,445 2.545,446 1.159,447 2.286,448 1.269,449 3.35,450 2.136,451 1.146,452 1.263,454 2.443,455 1.133,456 2.13,457 1.213,458 3.191,459 1.86,460 0.89,461 1.005,463 1.946,464 0.858,465 2.118,466 0.79,467 3,468 1.625,469 0.655,470 0.927,472 1.372,473 0.634,474 18.933,475 0.473,476 0.588,477 0.015,478 39,479 0.975,480 14,481 0.35,482 25,483 0.625,484 45.803,485 1.145,486 47.067,487 0.535,488 29.391,489 0.735,490 7.478,491 0.187,492 12.107,493 0.303,494 0.088,496 0.201,501 0.882,502 1.567,503 0.982,504 1.351,505 0.73,506 1.201,507 1.043,508 1.292,509 1.063,510 1.173,511 0.626,512 1.111,513 0.977,514 0.998,515 1.014,516 0.957,517 0.79,518 0.981,519 0.708,520 1.114,521 0.958,522 1.092,523 0.764,524 1.058,525 0.978,526 0.871,527 0.958,528 0.916,529 0.908,530 0.932,531 1.162,532 1.029,533 1.134,534 1.069,535 1.274,536 1.101,537 0.919,538 0.909,539 1.023,540 0.99,541 1.147,542 1.018,543 0.98,544 1.016,545 0.974,546 1.001,547 1.24,548 0.994,549 6,550 0.164,551 2.667,552 1.944,553 1.394,554 0.778,555 0.547,556 0.325,557 0.202,558 0.201,559 35250,560 77480,561 2.024,562 54.5,563 8,564 22,565 2,567 2,569 14,572 1.791,573 1.935,574 4.292,575 0.099,582 124.352,583 1.413,584 3.266,585 4.556,586 5.121,587 5.311,588 5.442,589 3.722,590 3.884,591 5.29,592 4.574,593 3567.63,594 9.284,595 75494.6,600 568.43,601 1.157,602 5.273,603 0.143,604 0.005,605 0.051,606 0.04,607 0.029,608 0.016,609 0.013,610 0.009,611 0.006,612 0.006,613 0.317,614 0.33,615 0.75,616 0.681,617 239.419,618 -0.011,619 -0.227,620 0.048,621 -0.099,622 0.003,623 -0.031,624 -0.072,625 -0.107,626 -0.039,627 -0.102,628 0.058,629 -0.066,630 0.038,631 0.037,632 -0.01,633 0.021,634 0.082,635 0.001,636 0.062,637 -0.094,638 0.007,639 -0.089,640 0.056,641 -0.053,642 0.004,643 0.086,644 0.023,645 0.06,646 0.075,647 0.048,648 -0.134,649 -0.056,650 -0.147,651 -0.066,652 -0.15,653 -0.105,654 -0.043,655 0.038,656 -0.058,657 -0.02,658 -0.106,659 -0.039,660 -0.051,661 -0.073,662 -0.004,663 -0.021,664 -0.097,665 -0.01,666 1.812,667 5.508,668 0.4,669 77.66,670 0.99,671 1.136,672 2.217,673 4.916,674 0.62,675 3.761,676 3.97,677 4.143,678 4.29,679 4.317,680 4.29,681 4.263,682 4.205,683 4.143,684 4.174,685 12.474,686 0.574,687 552.84,688 3.761,689 5.242,690 6.033,691 6.847,692 7.654,693 8.473,694 9.287,695 10.11,696 10.929,697 11.754,698 4.5,700 1,701 2,707 1,715 6,718 2,720 2,722 10,741 88,743 14,745 42,747 90,748 32,749 8,752 6,756 3,757 3,763 2,770 8,772 14,773 18,777 4,782 1,784 2,785 1,786 4,792 2,793 48,794 8,795 2,796 8,802 4,808 1,809 4,828 2,829 1,839 1,841 1,849 4,853 1,855 2,857 1,859 3,864 2,868 40,875 1,876 16,877 1,881 2,893 4.5,895 1,896 1,898 2,901 20.667,902 15.717,903 9.389,904 6.043,907 2.136,908 1.284,909 0.921,910 15.093,911 9.655,912 3.951,913 4.363,914 4.785,915 5.177,916 5.256,917 5.362,918 5.432,919 5.398,920 5.336,921 5.388,922 0.929,923 49,924 14.889,926 5.981,927 0.026,929 7.588,931 29.262,933 23.155,936 2.088,937 83.5,941 541.471,942 156.653,943 41.045,945 86.843,948 156.653,949 628.314,950 41.045,951 17.65,952 37.122,953 98.347,954 78.475,955 42.049,956 34.44,957 517.928,959 541.471,960 197.698,961 86.843,964 376.675,965 251.638,968 95.817,969 80.172,970 21.709,972 541.471,973 127.888,974 156.653,977 541.471,978 58.667,979 104.236,980 18.011,981 103.628,982 541.471,983 127.888,984 156.653,986 0.549,987 0.313,988 0.163,989 0.08,990 17,991 8,992 0.233,993 21,995 1,996 5.45,997 327.989,999 16,1000 212.877,1005 32.078,1006 18.821,1007 12.318,1009 127.888,1010 11.345,1013 10.897,1015 2.014,1017 60.694,1018 826.012,1019 51,1024 12.508,1026 2.969,1027 4.448,1028 0.78,1031 87.156,1032 99.965,1034 0.219,1035 0.506,1036 0.705,1037 0.793,1038 0.822,1039 0.843,1040 5.145,1041 1.816,1042 5.943,1043 4.72,1044 4.654,1045 5.05,1046 1.619,1047 6.613,1048 4.601,1049 6.261,1050 1.67,1051 7.41,1052 3.724,1053 3.892,1054 4.477,1055 0.57,1056 7.222,1057 3.797,1058 7.501,1059 1.403,1060 8.978,1061 3.597,1062 6.107,1063 6.998,1064 1.171,1065 10.285,1066 5.999,1067 8.777,1068 1.269,1069 10.608,1070 3.013,1071 6.256,1072 7.388,1073 0.674,1074 11.767,1075 6.115,1076 10.092,1077 1.17,1078 12.28,1079 2.706,1080 7.812,1081 9.241,1082 0.92,1083 14.288,1084 7.656,1085 11.431,1086 1.146,1087 13.981,1088 2.545,1089 8.401,1090 10.087,1091 0.66,1092 16.138,1093 8.223,1094 12.791,1095 0.89,1096 15.703,1097 2.443,1098 9.675,1099 11.65,1100 0.757,1101 18.468,1102 9.481,1103 2.988,1104 0.655,1105 17.439,1106 1.946,1107 10.493,1108 12.726,1109 0.611,1110 20.493,1111 10.283,1112 2.669,1113 9.366,1114 19.186,1115 1.372,1116 11.641,1117 14.155,1118 0.64,1119 22.752,1120 11.417,1121 2.669,1122 7.648,1123 20.943,1124 3.846,1125 12.577,1126 15.349,1127 0.55,1128 24.866,1129 12.341,1130 2.422,1131 7.648,1132 22.706,1133 3.49,1134 13.672,1135 16.716,1136 0.548,1137 27.099,1138 13.423,1139 2.242,1140 7.583,1141 24.477,1142 3.49,1143 14.67,1144 17.971,1145 0.487,1146 29.263,1147 14.41,1148 2.242,1149 6.033,1150 26.253,1151 3.014,1152 15.745,1153 19.311,1154 0.471,1155 31.488,1156 15.473,1157 1.832,1158 6.033,1159 28.033,1160 2.417,1161 16.777,1162 20.598,1163 0.427,1164 33.681,1165 16.495,1166 34076,1167 50730,1168 28.197,1169 54.592,1170 59.625,1171 59.366,1172 60.205,1173 58.709,1174 58.624,1175 70.482,1176 6.355,1177 149.588,1178 57.102,1179 5.347,1180 5.581,1181 6.114,1182 5.011,1183 4.988,1184 6.55,1185 1.605,1186 16.052,1187 4.947,1188 18.304,1189 1.42,1190 1.413,1191 1.433,1192 1.398,1193 1.396,1194 1.678,1195 0.151,1196 3.562,1197 1.36,1198 3.974,1199 4.011,1200 3.906,1201 3.827,1202 7.428,1203 3.84,1204 3.91,1205 3.936,1206 3.852,1207 3.758,1208 6.469,1209 3.777,1210 3.901,1211 3.925,1212 3.845,1213 3.746,1214 5.082,1215 3.765,1216 3.752,1217 3.812,1218 3.604,1219 3.614,1220 5.065,1221 3.601,1222 3.737,1223 3.787,1224 3.598,1225 3.602,1226 4.619,1227 3.592,1228 3.6,1229 3.675,1230 3.455,1231 3.41,1232 4.352,1233 3.408,1234 3.565,1235 3.638,1236 3.405,1237 3.387,1238 4.278,1239 3.381,1240 3.4,1241 3.486,1242 3.23,1243 3.217,1244 4.245,1245 3.205,1246 0.104,1247 0.085,1248 0.149,1249 0.095,1250 0.071,1251 4.381,1252 0.092,1253 3.581,1254 0.022,1255 6.25,1256 0.223,1257 3.974,1258 0.07,1259 2.988,1260 3.846,1261 0.916,1262 9.366,1263 2.947,1264 1.858,1265 1.829,1266 2.037,1267 2.014,1268 1.379,1269 2.017,1270 1.79,1271 1.726,1272 2.028,1273 1.977,1274 1.376,1275 1.995,1276 1.767,1277 1.709,1278 1.93,1279 1.953,1280 1.173,1281 1.952,1282 1.655,1283 1.593,1284 1.894,1285 1.858,1286 1.164,1287 1.875,1288 1.631,1289 1.574,1290 1.851,1291 1.812,1292 1.016,1293 1.831,1294 1.479,1295 1.427,1296 1.719,1297 1.64,1298 0.974,1299 1.666,1300 1.47,1301 1.418,1302 1.694,1303 1.605,1304 0.903,1305 1.636,1306 1.407,1307 1.332,1308 1.686,1309 1.602,1310 0.835,1311 1.635,1312 4.443,1314 5.68,1315 3.045,1316 7.081,1317 5.13,1318 8.567,1319 6.952,1320 10.106,1322 4.349,1327 10.404,1328 15.792,1329 3.215,1333 4.777,1340 50.534,1341 124.352,1342 287.399,1343 400.946,1344 450.656,1345 467.41,1346 478.92,1347 105.852,1348 7.519,1349 94.45,1350 94.45,1351 16,1352 12.332,1353 3.907,1354 3.322,1355 88.31,1356 302,1357 248,1358 0.134,1359 315.288,1360 561.32,1361 761.063,1362 25450,1364 28.418,1365 0.71,1366 0.611,1367 28.418,1368 24.446,1369 19.584,1370 0.466,1371 0.358,1372 14.844,1373 18.816,1374 14.502,1375 12.125,1376 19.584,1377 15.035,1378 15.957,1379 0.307,1380 0.199,1381 15.957,1382 10.37,1383 12.771,1384 0.206,1385 0.117,1386 12.771,1387 7.272,1388 9.761,1389 0.136,1390 0.067,1391 9.761,1392 4.804,1393 6.771,1394 0.091,1395 0.041,1396 6.771,1397 3.021,1398 0.229,1399 122.608,1400 0.188,1401 38.226,1402 0.324,1403 188,1404 514.624,1405 206.898,1406 486.73,1407 655.87,1408 458,1409 208,1410 469.422,1411 227.512,1412 469.353,1413 675.74,1414 442,1415 6.842}
{0 CHEMBL27673,1 1.265,2 26.333,3 7.304,4 53.343,5 180.354,6 5.606,7 0.279,8 4.66,9 4.816,10 3.95,11 4.125,12 5.509,13 4.043,14 5.257,15 5.492,16 4.13,17 4.492,18 5.988,19 4.35,20 5.539,21 5.836,22 4.176,23 4.624,24 6.165,25 4.435,26 5.578,27 5.878,28 4.113,29 4.615,30 6.21,31 4.411,32 5.579,33 5.891,34 4.01,35 4.601,36 6.159,37 4.374,38 5.571,39 5.9,40 3.924,41 4.553,42 6.111,43 4.316,44 5.483,45 5.803,46 3.887,47 4.503,48 6.027,49 4.269,50 5.453,51 5.772,52 3.857,53 4.475,54 5.987,55 4.24,56 0.151,57 1.401,58 26.551,59 10.279,60 17.361,61 15.145,62 0.375,63 2.146,64 45.027,65 16.104,66 32.556,67 24.294,68 0.413,69 2.534,70 55.792,71 20.183,72 39.584,73 30.598,74 0.602,75 2.555,76 57.936,77 20.153,78 47.778,79 30.824,80 0.447,81 2.544,82 56.777,83 20.213,84 39.639,85 31.056,86 0.463,87 2.434,88 55.426,89 19.645,90 36.945,91 30.183,92 0.443,93 2.266,94 51.004,95 19.027,96 33.584,97 28.496,98 0.363,99 2.195,100 49.301,101 18.472,102 29.778,103 27.773,104 9,105 48,106 0.186,107 0.385,108 0.542,109 0.626,110 0.681,111 0.724,112 3.763,113 1.18,114 -5.7,115 -5.56,116 -5.19,121 34.6,123 14,126 2,127 8,144 8,145 2,146 2,176 19,180 4,185 8,187 16,192 4,197 8,200 9,206 2,209 2,211 10,214 6,224 8,227 9,232 2,237 2,239 14,244 2,248 2,249 2,251 18,256 2,264 16,269 2,273 1,274 4,277 14,281 5352,282 29.539,283 29.539,284 29.539,285 29.539,286 29.539,287 28.036,288 34.567,289 19.622,290 30.159,291 21.247,292 21.247,293 21.247,294 21.247,295 21.247,296 18.984,297 42.55,298 9.384,299 22.005,300 5.435,301 4.087,302 3.021,303 2.448,304 2.073,305 1.784,306 4.447,313 2268,314 5.477,318 397.648,325 4.603,326 17.36,329 0.5,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.7,337 88,338 1106,339 4.192,340 3.133,341 6.129,342 3.805,343 2.837,344 3.8,345 0.86,346 8.98,347 2.746,348 4.192,349 3.133,350 6.129,351 3.805,352 2.837,353 3.8,354 0.86,355 8.98,356 2.746,357 3.002,358 2.218,359 4.415,360 2.965,361 1.987,362 2.121,363 0.657,364 4.362,365 1.946,366 2.995,367 2.218,368 4.415,369 2.923,370 1.95,371 2.121,372 0.657,373 4.362,374 1.899,375 2.967,376 2.121,377 3.985,378 2.874,379 1.891,380 2.076,381 0.4,382 3.966,383 1.861,384 2.919,385 2.097,386 3.941,387 2.769,388 1.816,389 2.076,390 0.4,391 3.869,392 1.732,393 2.917,394 1.882,395 3.871,396 2.69,397 1.735,398 1.983,400 3.716,401 1.652,402 2.916,403 1.849,404 3.778,405 2.62,406 1.653,407 1.934,409 3.517,410 1.595,411 2.847,412 1.77,413 3.677,414 2.522,415 1.564,416 1.859,418 3.285,419 1.495,420 2.752,421 1.629,422 3.633,423 2.463,424 1.496,425 1.76,427 3.104,428 1.438,429 2.635,430 1.578,431 3.606,432 2.453,433 1.473,434 1.639,436 3.046,437 1.435,438 2.497,439 1.487,440 3.505,441 2.404,442 1.414,443 1.497,445 2.922,446 1.398,447 2.342,448 1.405,449 3.36,450 2.253,451 1.281,452 1.337,454 2.632,455 1.242,456 2.173,457 1.26,458 3.202,459 2.078,460 1.118,461 1.163,463 2.29,464 1.07,465 1.996,466 1.037,467 3.038,468 1.911,469 0.939,470 0.978,472 1.922,473 0.911,474 20.267,475 0.483,476 0.239,477 0.006,478 37.5,479 0.893,480 13,481 0.31,482 24.5,483 0.583,484 50.393,485 1.2,486 51.133,487 0.492,488 23.878,489 0.569,490 6.725,491 0.16,492 14.122,493 0.336,494 0.049,496 0.099,501 1.053,502 1.521,503 1.163,504 1.385,505 0.968,506 1.293,507 1.459,508 1.243,509 1.274,510 1.213,511 1.251,512 1.222,513 0.878,514 1.074,515 0.956,516 1.037,517 0.764,518 1.005,519 1.097,520 1.043,521 1.046,522 1.015,523 1.003,524 1.025,525 0.874,526 1.061,527 1.03,528 1.037,529 0.909,530 1.041,531 0.89,532 0.893,533 0.961,534 0.904,535 0.906,536 0.927,537 0.764,538 0.901,539 0.964,540 0.962,541 0.801,542 0.976,543 0.747,544 0.986,545 0.949,546 0.997,547 0.786,548 0.991,549 2.5,550 0.058,551 2,552 0.875,553 0.684,554 0.361,555 0.162,556 0.118,557 0.09,558 0.071,559 47479,560 88157,561 2.011,562 59.6,563 16,564 30,567 4,569 12,572 1.797,573 1.969,574 4.608,575 1.297,582 131.568,583 1.265,584 2.614,585 3.68,586 4.253,587 4.628,588 4.917,589 3.975,590 4.392,591 5.367,592 4.917,593 4233.88,594 9.398,595 106653,600 696.846,601 0.723,602 5.368,603 0.058,604 0.002,605 0.042,606 0.018,607 0.016,608 0.009,609 0.004,610 0.003,611 0.003,612 0.002,613 0.157,615 0.63,616 0.547,617 263.54,618 0.013,619 -0.11,620 0.032,621 -0.06,622 0.114,623 -0.017,624 -0.157,625 -0.05,626 -0.158,627 -0.095,628 -0.081,629 -0.12,630 0.022,631 -0.051,632 0.04,633 -0.023,634 0.125,635 0.007,636 0.026,637 -0.041,638 -0.037,639 -0.035,640 0.046,641 -0.042,642 -0.043,643 -0.071,644 -0.056,645 -0.063,646 -0.048,647 -0.061,648 -0.052,649 0.055,650 -0.006,651 0.033,652 -0.067,653 0.021,654 0.016,655 0.06,656 -0.009,657 0.011,658 -0.01,660 -0.008,661 -0.031,662 -0.001,663 -0.014,664 -0.021,665 -0.009,666 0.692,667 1.912,668 0.286,669 91.592,670 0.978,671 1.139,672 4.467,673 19.952,674 0.606,675 3.784,676 3.892,677 4.025,678 4.111,679 4.159,680 4.007,681 3.951,682 3.892,683 3.871,684 3.85,685 15.933,686 0.546,687 583.02,688 3.784,689 5.209,690 5.964,691 6.727,692 7.496,693 8.27,694 9.047,695 9.829,696 10.613,697 11.401,698 3.8,700 4,715 8,720 4,722 12,739 2,741 104,743 12,744 2,745 43,747 105,748 36,749 12,750 4,751 8,756 2,757 2,770 14,772 12,773 24,793 62,794 6,795 4,796 6,802 4,808 1,809 2,829 2,853 4,859 2,864 2,868 42,876 22,877 4,878 2,893 1.9,898 2,901 21.333,902 18,903 10.306,904 7.042,907 1.593,908 1.218,909 0.919,910 23.232,911 8.892,912 3.912,913 4.22,914 4.6,915 4.961,916 5.316,917 5.067,918 5.028,919 4.916,920 4.909,921 4.902,922 0.941,923 49,924 15.622,926 5.97,927 0.026,929 7.325,931 31.731,933 24.704,936 1.825,937 76.667,941 682.724,942 166.763,943 72.043,945 22,948 166.763,949 704.724,950 72.043,951 21.766,952 52.329,953 147.853,955 38.858,957 682.724,959 682.724,960 238.806,961 22,964 541.471,965 163.253,968 124.372,969 114.434,972 682.724,973 94.043,974 166.763,977 682.724,978 69.187,979 97.576,980 72.043,981 22,982 682.724,983 94.043,984 166.763,986 0.521,987 0.29,988 0.153,989 0.075,990 10,991 4,992 0.276,993 29,995 1,996 5.969,997 311.234,999 12,1000 184.477,1005 36.4,1006 26.807,1007 19.186,1009 94.043,1010 16.502,1015 4.422,1017 72.043,1018 943.53,1019 49,1031 101.686,1032 118.453,1034 0.189,1035 0.39,1036 0.549,1037 0.635,1038 0.691,1039 0.734,1040 5.043,1041 1.653,1042 5.79,1043 3.716,1044 4.575,1045 4.905,1046 1.845,1047 6.351,1048 4.509,1049 6.07,1050 1.564,1051 7.177,1052 3.517,1053 3.219,1054 4.007,1056 6.763,1057 3.118,1058 7.242,1059 1.496,1060 8.676,1061 3.285,1062 5.9,1063 6.775,1064 1.395,1065 9.923,1066 5.776,1067 8.459,1068 1.473,1069 10.262,1070 3.104,1071 5.638,1072 7.006,1074 11.485,1075 5.459,1076 9.731,1077 1.414,1078 11.914,1079 3.046,1080 7.503,1081 9.059,1082 1.084,1083 14.016,1084 7.32,1085 11.041,1086 1.281,1087 13.615,1088 2.922,1089 7.865,1090 9.828,1092 15.984,1093 7.621,1094 12.384,1095 1.118,1096 15.353,1097 2.632,1098 9.31,1099 11.557,1100 0.85,1101 18.309,1102 9.064,1103 2.837,1104 0.939,1105 17.115,1106 2.29,1107 10.016,1108 12.582,1110 20.417,1111 9.711,1112 2.837,1113 8.98,1114 18.894,1115 1.922,1116 11.252,1117 14.146,1118 0.666,1119 22.665,1120 10.938,1121 1.987,1122 8.98,1123 20.684,1124 3.8,1125 12.132,1126 15.301,1128 24.824,1129 11.766,1130 1.95,1131 4.362,1132 22.482,1133 3.8,1134 13.267,1135 16.774,1136 0.519,1137 27.042,1138 12.884,1139 1.891,1140 4.362,1141 24.285,1142 2.121,1143 14.233,1144 18,1146 29.222,1147 13.803,1148 1.816,1149 3.966,1150 26.091,1151 2.121,1152 15.319,1153 19.42,1154 0.402,1155 31.426,1156 14.868,1157 1.735,1158 3.869,1159 27.9,1160 2.076,1161 16.326,1162 20.688,1164 33.615,1165 15.833,1166 46624,1167 63768,1168 29.348,1169 63.012,1170 57.213,1171 58.141,1172 58.731,1173 57.349,1174 57.403,1175 66.104,1176 7.669,1177 132.085,1178 55.395,1179 5.182,1180 5.133,1181 6.116,1182 4.829,1183 4.837,1184 6.8,1185 1.72,1186 15.015,1187 4.746,1188 14.45,1189 1.331,1190 1.352,1191 1.366,1192 1.334,1193 1.335,1194 1.537,1195 0.178,1196 3.072,1197 1.288,1198 3.968,1199 4.008,1200 3.892,1201 3.878,1202 4.879,1203 3.877,1204 3.917,1205 3.946,1206 3.854,1207 3.841,1208 4.849,1209 3.84,1210 3.83,1211 3.891,1212 3.678,1213 3.698,1214 4.402,1215 3.683,1216 3.763,1217 3.834,1218 3.605,1219 3.621,1220 4.395,1221 3.607,1222 3.728,1223 3.794,1224 3.562,1225 3.603,1226 4.369,1227 3.584,1228 3.63,1229 3.709,1230 3.465,1231 3.461,1232 4.316,1233 3.449,1234 3.537,1235 3.622,1236 3.368,1237 3.343,1238 4.249,1239 3.337,1240 3.46,1241 3.543,1242 3.279,1243 3.287,1244 4.239,1245 3.274,1246 0.097,1247 0.073,1248 0.143,1249 0.088,1250 0.066,1251 4.192,1252 0.088,1253 3.133,1254 0.02,1255 6.129,1256 0.209,1257 3.805,1258 0.064,1259 2.837,1260 3.8,1261 0.86,1262 8.98,1263 2.746,1264 1.907,1265 1.882,1266 2.061,1267 2.02,1268 1.413,1269 2.03,1270 1.907,1271 1.882,1272 2.044,1273 2.019,1274 1.374,1275 2.027,1276 1.814,1277 1.75,1278 2.035,1279 1.986,1280 1.365,1281 2.009,1282 1.774,1283 1.708,1284 2.004,1285 1.95,1286 1.221,1287 1.973,1288 1.75,1289 1.686,1290 1.992,1291 1.911,1292 1.169,1293 1.943,1294 1.63,1295 1.556,1296 1.895,1297 1.836,1298 1.161,1299 1.86,1300 1.525,1301 1.445,1302 1.798,1303 1.755,1304 1.069,1305 1.775,1306 1.468,1307 1.389,1308 1.755,1309 1.681,1310 1.043,1311 1.711,1312 4.466,1314 5.631,1316 6.971,1318 8.405,1320 9.899,1322 3.479,1328 27.086,1329 14.355,1330 10.824,1340 56.792,1341 131.568,1342 271.84,1343 382.691,1344 442.277,1345 481.297,1346 511.336,1347 118.756,1348 7.299,1349 66.58,1350 66.58,1351 12,1352 12.01,1353 3.7,1354 2.807,1355 122.442,1356 413,1357 292,1358 0.131,1359 358.913,1360 630.58,1361 867.508,1362 23834,1364 29.765,1365 0.709,1366 0.643,1367 29.765,1368 26.992,1369 20.847,1370 0.485,1371 0.393,1372 16.737,1373 20.234,1374 16.332,1375 13.795,1376 20.847,1377 16.915,1378 15.488,1379 0.323,1380 0.238,1381 15.488,1382 11.427,1383 12.082,1384 0.22,1385 0.143,1386 12.082,1387 7.887,1388 9.106,1389 0.152,1390 0.088,1391 9.106,1392 5.308,1393 6.61,1394 0.105,1395 0.055,1396 6.61,1397 3.472,1398 0.234,1399 129.312,1400 0.185,1401 40.984,1402 0.3,1403 182,1404 394.803,1405 193.308,1406 379.599,1407 514.74,1408 362,1409 194,1410 355.598,1411 205.642,1412 365.96,1413 517.84,1414 342,1415 5.27}
{0 CHEMBL27675,1 1.854,2 8.059,3 -0.272,4 0.074,5 63.001,6 7.95,7 0.294,8 3.603,9 3.705,10 3.408,11 3.008,12 4.752,13 2.97,14 4.143,15 4.322,16 3.505,17 3.308,18 5.454,19 3.276,20 4.289,21 4.467,22 3.394,23 3.367,24 5.467,25 3.31,26 4.35,27 4.585,28 3.347,29 3.293,30 5.522,31 3.202,32 4.226,33 4.492,34 3.188,35 3.129,36 5.255,37 3.051,38 4.096,39 4.3,40 3.055,41 3.073,42 5.309,43 2.95,44 3.957,45 4.232,46 3.108,47 3.027,48 4.946,49 2.875,50 3.84,51 4.044,52 3.09,53 2.888,54 5.179,55 2.797,56 0.179,57 0.471,58 9.696,59 3.101,60 23.597,61 3.778,62 0.535,63 0.648,64 19.196,65 4.511,66 55.717,67 5.818,68 0.595,69 0.668,70 19.294,71 5.12,72 73.634,73 6.805,74 0.742,75 0.635,76 19.257,77 4.742,78 57.854,79 7.388,80 0.565,81 0.529,82 20.444,83 4.035,84 46.736,85 6.279,86 0.678,87 0.483,88 15.921,89 4.078,90 68.686,91 5.463,92 0.336,93 0.466,94 16.099,95 3.914,96 29.282,97 5.546,98 0.375,99 0.396,100 14.233,101 3.405,102 37.258,103 4.518,104 37,105 23,106 0.352,107 0.648,108 0.834,109 0.846,110 0.857,111 0.857,112 2.905,113 1.25,114 -0.76,115 -0.88,116 -0.99,121 27.3,126 2,127 2,128 1,147 1,153 1,157 1,163 1,172 1,179 2,182 1,191 1,194 1,205 2,208 1,209 1,213 1,218 1,231 2,235 1,258 2,268 2,281 337,282 10.784,283 10.784,284 10.784,285 10.784,286 10.784,287 9.387,288 14.539,289 6.501,290 11.464,291 8.348,292 8.348,293 8.348,294 8.348,295 8.348,296 6.392,297 19.661,298 2.978,299 9.387,300 3.19,301 1.63,302 0.652,303 0.591,304 0.531,305 0.531,306 3.526,311 1,312 1,313 264,314 3.674,317 54.467,325 1.246,326 23.906,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 39.5,338 137,339 4.622,340 5.046,341 6.47,342 3.954,343 3.099,344 4.423,345 2.95,346 10.003,347 2.769,348 4.398,349 3.631,350 6.394,351 3.937,352 3.023,353 4.086,354 1.697,355 9.951,356 2.606,357 3.179,358 3.095,359 4.953,360 2.817,361 1.934,362 2.343,363 1.041,364 5.425,365 1.707,366 3.041,367 2.447,368 4.114,369 2.476,370 1.533,371 2.128,373 3.611,374 1.444,375 2.5,376 2.153,377 3.642,378 2.267,379 1.382,380 1.492,382 2.982,383 1.211,384 2.359,385 1.709,386 3.153,387 1.818,388 0.862,389 1.218,391 1.602,392 0.822,393 1.584,394 1.436,395 3.036,396 1.379,397 0.474,398 0.507,400 1.021,401 0.423,402 1,403 0.739,404 2.378,405 0.809,406 -0.128,407 -0.137,409 -0.243,410 -0.118,411 0.981,412 0.506,413 2,414 0.168,415 -0.712,416 -0.791,418 -1.426,419 -0.6,420 0.503,421 0.04,422 2,423 0.009,424 -0.889,425 -1.07,427 -1.999,428 -0.784,429 0.385,430 -0.255,431 2,433 -1,434 -1.218,436 -3,437 -0.811,438 0.243,439 -0.856,440 1.826,441 -0.203,442 -1,443 -1.562,445 -3,446 -1,447 -0.039,448 -1,449 1.434,450 -0.456,451 -1.319,452 -1.927,454 -3.278,455 -1.138,456 -0.313,457 -1.137,458 1.265,459 -0.756,460 -1.666,461 -2,463 -4.57,464 -1.474,465 -0.516,466 -1.467,467 0.735,468 -0.848,469 -1.724,470 -2.248,471 -1.041,472 -5.158,473 -1.554,474 7.867,475 0.463,476 0.562,477 0.033,478 19,479 1.118,480 7.5,481 0.441,482 11.5,483 0.676,484 12.168,485 0.716,486 21.233,487 0.643,488 13.529,489 0.796,490 4.036,491 0.237,492 3.902,493 0.23,494 0.254,495 0.106,496 0.165,501 0.682,502 1.92,503 0.888,504 1.585,505 0.721,506 1.228,507 1.011,508 1.085,509 1.293,510 1.179,511 0.577,512 0.897,513 1.292,514 1.115,515 1.121,516 1.134,517 1.399,518 1.229,519 0.696,520 1.053,521 0.724,522 0.861,523 0.629,524 1.089,525 0.981,526 0.778,527 0.864,528 0.803,529 0.573,530 0.771,531 1.289,532 0.88,533 1.047,534 0.79,535 1.385,536 1.129,537 0.65,538 0.87,539 0.825,540 0.906,541 0.575,542 0.797,543 0.967,544 1.169,545 1.106,546 1.264,547 1.342,548 1.075,549 4.5,551 2,552 1.292,553 0.65,554 0.327,555 0.26,556 0.24,557 0.242,558 0.06,559 2148,560 8698,561 1.825,562 48.5,564 10,565 3,566 2,567 1,572 1.565,573 1.659,574 2.978,575 -0.025,577 1,582 61.181,583 1.854,584 3.415,585 4.393,586 4.453,587 4.514,588 4.514,589 2.469,590 3.69,591 4.058,592 3.184,593 433.066,594 6.841,595 4118.36,597 1,600 166.465,601 1.713,602 3.962,603 0.265,605 0.087,606 0.068,607 0.038,608 0.022,609 0.024,610 0.02,611 0.02,612 0.009,613 0.552,614 0.5,615 1,616 2.207,617 72.08,618 0.066,619 -0.456,620 0.236,621 -0.164,622 -0.1,623 -0.087,624 -0.065,625 0.117,626 -0.156,627 0.001,628 0.186,629 0.106,630 -0.267,631 -0.054,632 -0.271,633 -0.174,634 -0.286,635 -0.251,636 0.196,637 -0.134,638 0.013,639 -0.1,640 0.067,641 -0.156,642 -0.082,643 0.095,644 0.063,645 0.049,646 0.027,647 0.165,648 -0.133,649 0.018,650 -0.181,651 0.077,652 -0.231,653 -0.201,654 0.023,655 0.09,656 0.231,657 0.149,658 0.079,659 0.237,660 0.016,661 -0.156,662 0.015,663 -0.13,664 -0.064,665 -0.06,666 3.916,667 3.871,668 0.294,669 12.498,670 1.028,671 1.15,672 -0.466,673 0.217,674 0.619,675 2.89,676 3.178,677 3.219,678 3.367,679 3.296,680 3.135,681 3.135,682 3.091,683 2.996,684 2.773,685 5.106,686 0.592,687 262.35,688 2.89,689 4.394,690 5.165,691 6.023,692 6.821,693 7.681,694 8.492,695 9.351,696 10.17,697 11.028,698 9.1,706 1,707 1,708 1,715 2,720 1,721 2,722 5,726 1,741 33,743 8,745 17,747 33,748 9,749 3,752 1,756 1,757 1,772 4,773 5,777 3,780 1,782 2,784 1,785 1,790 1,793 16,794 5,795 1,796 8,797 1,799 1,802 3,803 1,808 1,809 4,828 1,857 1,858 1,859 1,862 1,864 2,868 17,871 1,875 1,876 3,878 1,893 12.1,896 2,897 1,898 1,901 10.25,902 6.267,903 3.847,904 1.636,907 1.347,908 1.245,909 0.876,910 5.112,911 6.857,912 3.157,913 3.744,914 3.977,915 4.452,916 4.503,917 4.47,918 4.565,919 4.553,920 4.633,921 4.69,922 1,923 19,924 6.342,926 2.65,927 0.026,929 8.299,931 11.494,933 8.785,936 2.799,937 47.583,938 0.001,941 176.567,942 60.759,943 17.046,945 98.119,947 6.046,948 54.713,949 274.685,950 17.046,951 15.587,952 9.656,953 15.093,954 92.129,955 67,956 35.313,957 117.711,959 176.567,960 71.758,961 98.119,962 6.046,964 176.567,965 87.119,966 11,968 36.178,969 24.634,970 16.992,972 176.567,973 115.164,974 60.759,976 6.046,977 176.567,978 11.984,979 46.527,981 111.366,982 176.567,983 115.164,984 60.759,986 0.571,987 0.287,988 0.148,989 0.073,990 9,991 5,992 0.182,993 6,995 1,996 2.875,997 101.829,999 5,1000 67.487,1004 1,1005 14.153,1006 6.14,1007 4.85,1009 111.366,1010 3.522,1015 0.645,1016 3.446,1017 42.806,1018 352.489,1019 22.5,1022 -2.999,1024 21.742,1026 1.278,1027 2.949,1031 33.934,1032 37.951,1034 0.368,1035 0.677,1036 0.871,1037 0.883,1038 0.895,1039 0.895,1040 4.373,1041 -0.128,1042 5.209,1043 1.021,1044 3.85,1045 4.425,1046 3.271,1047 6.014,1048 3.623,1049 5.631,1050 -0.712,1051 6.781,1052 -0.243,1053 3.761,1054 4.732,1056 7.286,1057 3.363,1058 7.002,1059 -0.889,1060 8.47,1061 -1.426,1062 5.525,1063 6.781,1064 5.144,1065 10.128,1066 5.04,1067 8.417,1068 -1,1069 10.225,1070 -1.999,1071 6.196,1072 7.855,1074 12.103,1075 5.541,1076 9.865,1077 -1,1078 12.019,1079 -3,1080 7.541,1081 9.499,1082 7.222,1083 14.573,1084 6.789,1085 11.334,1086 -1.319,1087 13.835,1088 -3,1089 8.494,1090 10.829,1092 16.763,1093 7.591,1094 12.817,1095 -1.666,1096 15.665,1097 -3.278,1098 9.696,1099 12.352,1100 9.36,1101 19.123,1102 8.686,1103 3.099,1104 -1.724,1105 17.505,1106 -4.57,1107 10.755,1108 13.769,1110 21.383,1111 9.606,1112 3.023,1113 10.003,1114 19.351,1115 -5.158,1116 11.905,1117 15.253,1118 11.515,1119 23.706,1120 10.642,1121 1.934,1122 9.951,1123 21.202,1124 4.423,1125 13.002,1126 16.701,1128 25.992,1129 11.61,1130 1.533,1131 5.425,1132 23.055,1133 4.086,1134 14.134,1135 18.173,1136 13.676,1137 28.301,1138 12.624,1139 1.382,1140 3.611,1141 24.911,1142 2.343,1143 15.246,1144 19.633,1146 30.595,1147 13.611,1148 0.862,1149 2.982,1150 26.768,1151 2.128,1152 16.371,1153 21.103,1154 15.839,1155 32.899,1156 14.618,1157 0.474,1158 1.602,1159 28.626,1160 1.492,1161 17.489,1162 22.569,1164 35.197,1165 15.613,1166 2371,1167 4854,1168 10.227,1169 20.432,1170 24.834,1171 28.729,1172 25.643,1173 24.698,1174 24.614,1175 32.397,1176 11.376,1177 69.19,1178 21.962,1179 5.521,1180 6.891,1181 6.23,1182 5.065,1183 5.072,1184 7.131,1185 5.9,1186 16.501,1187 4.565,1188 11.108,1189 1.461,1190 1.69,1191 1.508,1192 1.453,1193 1.448,1194 1.906,1195 0.669,1196 4.07,1197 1.292,1198 4.04,1199 4.094,1200 4.721,1201 4.001,1202 7.715,1203 3.865,1204 3.973,1205 3.934,1206 3.977,1207 3.8,1208 6.999,1209 3.813,1210 3.377,1211 3.424,1212 3.264,1213 3.102,1214 6.546,1215 3.111,1216 3.25,1217 3.316,1218 3.161,1219 2.953,1220 4.864,1221 2.988,1222 3.102,1223 3.202,1224 2.889,1225 2.866,1226 4.486,1227 2.849,1228 2.835,1229 2.94,1230 2.554,1231 2.609,1232 4.04,1233 2.582,1234 2.634,1235 2.711,1236 2.373,1237 2.333,1238 3.795,1239 2.291,1240 2.407,1241 2.464,1242 2.21,1243 1.934,1244 3.672,1245 2.001,1246 0.272,1247 0.297,1248 0.381,1249 0.233,1250 0.182,1251 4.622,1252 0.26,1253 5.046,1254 0.174,1255 6.47,1256 0.588,1257 3.954,1258 0.163,1259 3.099,1260 4.423,1261 2.95,1262 10.003,1263 2.769,1264 1.82,1265 1.856,1266 1.82,1267 1.953,1268 1.256,1269 2.009,1270 1.642,1271 1.579,1272 1.785,1273 1.884,1274 0.929,1275 1.873,1276 1.543,1277 1.478,1278 1.691,1279 1.777,1280 0.833,1281 1.775,1282 1.21,1283 1.154,1284 1.51,1285 1.496,1286 0.68,1287 1.502,1288 1.041,1289 0.951,1290 1.343,1291 1.381,1292 0.358,1293 1.369,1294 0.863,1295 0.763,1296 1.24,1297 1.142,1298 0.315,1299 1.189,1300 0.577,1301 0.502,1302 0.895,1303 0.954,1304 0.117,1305 0.973,1306 0.417,1307 0.331,1308 0.76,1309 0.834,1311 0.837,1312 3.555,1314 4.844,1315 2.398,1316 6.29,1317 4.727,1318 7.809,1319 6.783,1320 9.37,1322 2.958,1327 8.488,1328 0.331,1330 5.223,1340 19.535,1341 61.181,1342 112.691,1343 144.955,1344 146.955,1345 148.955,1346 148.955,1347 41.405,1348 5.509,1349 84.77,1350 93.15,1351 5,1352 11.589,1353 3.17,1354 2.7,1355 38.305,1356 51,1357 43,1358 0.374,1359 129.888,1360 221.07,1361 308.688,1362 1294,1364 12.889,1365 0.758,1366 0.626,1367 13.139,1368 10.645,1369 7.938,1370 0.467,1371 0.417,1372 5.049,1373 6.545,1374 4.69,1375 3.934,1376 8.864,1377 7.085,1378 7.574,1379 0.329,1380 0.262,1381 8.979,1382 6.025,1383 4.703,1384 0.196,1385 0.131,1386 5.166,1387 3.135,1388 3.644,1389 0.13,1390 0.062,1391 3.971,1392 1.731,1393 2.486,1394 0.096,1395 0.038,1396 2.71,1397 0.981,1398 0.587,1399 61.439,1400 0.313,1401 17.488,1402 1.008,1403 80,1404 327.84,1405 123.654,1406 322.977,1407 406.26,1408 292,1409 87,1410 254.969,1411 136.389,1412 282.659,1413 387.29,1414 256,1415 4.577}
{0 CHEMBL277665,1 1.389,2 10.545,3 1.26,4 1.589,5 121.788,6 7.215,7 0.162,8 4.25,9 4.342,10 3.775,11 3.782,12 5.341,13 3.764,14 4.858,15 4.994,16 4.272,17 4.281,18 5.898,19 4.252,20 5.289,21 5.441,22 4.545,23 4.593,24 6.354,25 4.549,26 5.595,27 5.795,28 4.618,29 4.716,30 6.765,31 4.638,32 5.642,33 5.874,34 4.485,35 4.67,36 6.714,37 4.568,38 5.542,39 5.783,40 4.378,41 4.469,42 6.702,43 4.394,44 5.266,45 5.457,46 4.181,47 4.212,48 6.638,49 4.165,50 4.952,51 5.16,52 3.845,53 4,54 6.108,55 3.925,56 0.106,57 0.818,58 13.794,59 6.829,60 26.089,61 8.191,62 0.32,63 1.445,64 26.944,65 12.158,66 64.072,67 15.164,68 0.563,69 2.13,70 43.063,71 17.872,72 99.415,73 22.452,74 1.469,75 2.689,76 63.199,77 22.741,78 233.087,79 29.906,80 1.21,81 2.743,82 68.082,83 23.309,84 219.96,85 31.295,86 1.454,87 2.349,88 64.041,89 19.756,90 242.705,91 26.432,92 1.737,93 1.738,94 48.594,95 14.242,96 251.711,97 17.817,98 0.705,99 1.353,100 34.134,101 11.313,102 110.034,103 14.557,104 66,105 60,106 0.224,107 0.588,108 0.77,109 0.858,110 0.885,111 0.885,112 3.533,113 0.932,114 -3.92,115 -3.87,116 -3.68,121 41.3,122 3,123 3,124 2,125 2,127 1,129 2,132 1,137 1,138 1,140 2,144 5,145 1,158 1,160 1,176 14,179 1,180 10,185 4,187 22,192 5,195 1,197 8,200 20,205 5,206 15,210 1,211 7,214 16,219 12,222 1,224 10,227 10,232 15,236 2,237 1,239 9,244 10,247 6,249 5,251 9,256 4,261 2,264 12,269 1,272 4,274 4,277 14,281 1571,282 21.553,283 21.553,284 21.553,285 21.553,286 21.553,287 20.189,288 20.335,289 11.685,290 21.798,291 18.042,292 18.042,293 18.042,294 18.042,295 18.042,296 15.862,297 25.357,298 5.333,299 18.489,300 4.588,301 2.323,302 1.193,303 0.651,304 0.48,305 0.48,306 4.229,311 1,312 1,313 761,314 3.873,318 311.085,322 277.878,325 1.835,326 64.03,329 1,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.98,337 73,338 348,339 4.943,340 4.162,341 8.34,342 4.903,343 3.915,344 4.149,345 1.674,346 16.653,347 3.871,348 4.591,349 3.765,350 7.829,351 4.482,352 3.506,353 3.837,354 1.277,355 14.37,356 3.421,357 4.352,358 3.609,359 7.197,360 4.053,361 3.075,362 3.625,363 0.86,364 11.79,365 3.002,366 4.078,367 3.359,368 6.739,369 3.946,370 2.97,371 3.385,373 10.836,374 2.884,375 3.979,376 3.029,377 6.138,378 3.704,379 2.711,380 2.993,382 8.982,383 2.685,384 3.427,385 2.899,386 5.838,387 3.088,388 2.09,389 2.672,391 6.94,392 2.075,393 3.275,394 2.55,395 5.252,396 2.927,397 1.967,398 2.366,400 5.938,401 1.878,402 3.154,403 2.161,404 5.074,405 2.819,406 1.857,407 2.262,409 5.285,410 1.769,411 2.919,412 1.959,413 4.779,414 2.694,415 1.712,416 1.919,418 4.577,419 1.67,420 2.632,421 1.925,422 4.46,423 2.502,424 1.529,425 1.629,427 4.116,428 1.47,429 2.589,430 1.262,431 4.233,432 2.067,433 1.09,434 1.553,436 2.679,437 1.058,438 2.5,439 1.249,440 3.932,441 2,442 1,443 1.5,445 2.136,446 1,447 1.794,448 1.132,449 3.528,450 1.71,451 0.786,452 0.788,454 2.044,455 0.717,456 1.535,457 1,458 3.437,459 1.406,460 0.438,461 0.451,463 1.117,464 0.419,465 1.397,466 0.85,467 3.345,468 1.113,469 0.197,470 0.199,472 0.341,473 0.175,474 15.333,475 0.465,476 1.286,477 0.039,478 32.75,479 0.992,480 12,481 0.364,482 20.75,483 0.629,484 44.696,485 1.354,486 37.467,487 0.595,488 28.887,489 0.875,490 5.719,491 0.173,492 9.839,493 0.298,494 0.207,495 0.098,496 0.326,501 0.82,502 1.092,503 0.824,504 1.073,505 0.794,506 0.97,507 0.724,508 1.041,509 0.753,510 1.022,511 0.654,512 0.915,513 0.927,514 1.196,515 0.96,516 1.181,517 0.789,518 1.095,519 0.905,520 1.061,521 0.986,522 1.062,523 0.908,524 1.046,525 1.046,526 1.03,527 1.009,528 1.026,529 1.09,530 1.012,531 1.27,532 0.836,533 0.953,534 0.82,535 1.303,536 0.815,537 1.636,538 0.824,539 1.254,540 0.825,541 1.587,542 0.931,543 1.409,544 0.956,545 1.16,546 0.951,547 1.438,548 0.99,549 10,550 0.173,551 6.889,552 5.25,553 4.507,554 2.514,555 1.362,556 0.837,557 0.505,558 0.258,559 12831,560 33394,561 2.036,562 47.6,563 9,564 10,567 3,568 1,569 7,572 1.759,573 1.825,574 3.304,575 0.802,577 1,582 87.499,583 1.389,584 3.654,585 4.784,586 5.326,587 5.497,588 5.497,589 2.923,590 4.658,591 5.012,592 3.467,593 1830.66,594 8.817,595 24528.8,597 1,600 376.569,601 1.863,602 4.918,603 0.27,604 0.01,605 0.115,606 0.07,607 0.06,608 0.039,609 0.024,610 0.019,611 0.015,612 0.01,613 0.631,614 0.5,615 0.88,616 0.801,617 168.48,618 -0.079,619 0.089,620 0.023,621 0.092,622 -0.104,623 0.083,624 0.036,625 0.078,626 0.131,627 0.089,628 0.015,629 0.125,630 -0.035,631 -0.12,632 -0.039,633 -0.114,634 -0.018,635 -0.083,636 0.1,637 -0.066,638 -0.006,639 -0.07,640 0.076,641 -0.064,642 -0.061,643 -0.073,644 -0.011,645 -0.065,646 -0.054,647 -0.033,648 -0.07,649 0.08,650 0.101,651 0.095,652 -0.063,653 0.13,654 -0.056,655 0.11,656 -0.156,657 0.083,658 -0.02,659 -0.036,660 -0.216,661 0.008,662 -0.135,663 0.004,664 -0.185,665 -0.039,666 2.504,667 6.935,668 0.727,669 30.007,670 1.009,671 1.122,672 2.689,673 7.233,674 0.644,675 3.638,676 4.111,677 4.511,678 4.868,679 5.187,680 5.429,681 5.617,682 5.826,683 6.028,684 6.155,685 6.044,686 0.618,687 454.56,688 3.638,689 5.273,690 6.205,691 7.174,692 8.127,693 9.104,694 10.065,695 11.049,696 12.015,697 13.002,715 5,720 1,722 6,741 63,743 10,744 1,745 37,747 67,748 26,749 6,750 1,751 5,752 6,756 5,757 11,763 4,764 2,766 2,767 5,768 3,770 5,772 12,773 14,774 3,777 4,782 2,784 1,786 5,790 1,793 30,794 7,795 3,796 7,808 0.4,809 7,810 1,811 2,829 5,833 3,841 1,846 1,849 3,850 1,857 3,858 1,859 2,864 3,868 33,875 3,876 4,878 2,880 4,882 3,893 11.1,894 3,896 2,897 1,898 1,901 18.083,902 11.85,903 6.931,904 3.844,907 1.675,908 1.192,909 0.869,910 5.096,911 10.403,912 3.807,913 4.388,914 4.925,915 5.436,916 5.887,917 6.199,918 6.546,919 6.892,920 7.231,921 7.518,922 1,923 75,924 12.616,926 6.107,927 0.026,929 7.987,931 23.475,933 21.401,936 2.487,937 82.083,941 317.82,942 120.12,945 200.34,948 120.12,949 518.159,951 26.476,952 7.604,953 184.908,954 84.101,955 17.371,957 317.82,959 317.82,960 120.12,961 200.34,964 235.422,965 143.687,966 139.05,968 34.079,969 66.077,970 19.963,972 317.82,973 200.34,974 120.12,977 317.82,978 36.786,979 83.333,981 200.34,982 317.82,983 200.34,984 120.12,986 0.618,987 0.397,988 0.216,989 0.118,990 34,991 16,992 0.03,993 2,994 3,995 1.25,996 3.907,997 358.158,998 0.25,999 24,1000 162.465,1005 22.64,1006 7.427,1007 3.002,1009 200.34,1010 9.079,1015 0.678,1017 128.05,1018 638.279,1019 44,1024 26.954,1026 1.551,1028 -0.898,1031 63.545,1032 70.694,1034 0.232,1035 0.611,1036 0.8,1037 0.891,1038 0.92,1039 0.92,1040 5.179,1041 1.857,1042 6.315,1043 5.938,1044 4.796,1045 5.075,1046 2.429,1047 7.365,1048 4.749,1049 6.44,1050 1.712,1051 8.044,1052 5.285,1053 4.89,1054 5.139,1056 8.998,1057 4.833,1058 7.83,1059 1.529,1060 9.893,1061 4.577,1062 6.706,1063 7.204,1064 3.142,1065 12.176,1066 6.625,1067 9.252,1068 1.09,1069 11.816,1070 4.116,1071 7.576,1072 7.992,1074 14.571,1075 7.485,1076 10.708,1077 1,1078 13.784,1079 2.679,1080 9.002,1081 9.644,1082 4,1083 17.427,1084 8.894,1085 12.186,1086 0.786,1087 15.784,1088 2.136,1089 10.158,1090 10.733,1092 20.072,1093 10.038,1094 13.682,1095 0.438,1096 17.805,1097 2.044,1098 11.489,1099 12.236,1100 4.937,1101 22.861,1102 11.357,1103 3.915,1104 0.197,1105 19.843,1106 1.117,1107 12.75,1108 13.466,1110 25.594,1111 12.606,1112 3.506,1113 16.653,1114 21.893,1115 0.341,1116 14.068,1117 14.908,1118 5.916,1119 28.375,1120 13.913,1121 3.075,1122 14.37,1123 23.953,1124 4.149,1125 15.371,1126 16.21,1128 31.143,1129 15.205,1130 2.97,1131 11.79,1132 26.021,1133 3.837,1134 16.694,1135 17.626,1136 6.918,1137 33.929,1138 16.519,1139 2.711,1140 10.836,1141 28.094,1142 3.625,1143 18.018,1144 18.968,1146 36.713,1147 17.832,1148 2.09,1149 8.982,1150 30.174,1151 3.385,1152 19.35,1153 20.373,1154 7.932,1155 39.506,1156 19.155,1157 1.967,1158 6.94,1159 32.257,1160 2.993,1161 20.685,1162 21.739,1164 42.299,1165 20.48,1166 12218,1167 19816,1168 23.463,1169 40.602,1170 58.683,1171 61.567,1172 62.954,1173 57.738,1174 57.803,1175 66.781,1176 7.624,1177 195.914,1178 56.3,1179 5.943,1180 6.162,1181 8.142,1182 6.005,1183 5.915,1184 7.149,1185 3.349,1186 26.176,1187 5.871,1188 20.215,1189 1.586,1190 1.664,1191 1.701,1192 1.56,1193 1.562,1194 1.805,1195 0.206,1196 5.295,1197 1.522,1198 4.108,1199 4.128,1200 4.051,1201 4.014,1202 7.445,1203 4.017,1204 3.936,1205 3.957,1206 3.874,1207 3.868,1208 7.413,1209 3.865,1210 3.798,1211 3.815,1212 3.733,1213 3.683,1214 6.466,1215 3.694,1216 3.594,1217 3.618,1218 3.506,1219 3.455,1220 6.448,1221 3.46,1222 3.452,1223 3.511,1224 3.303,1225 3.301,1226 6.439,1227 3.29,1228 3.243,1229 3.314,1230 3.138,1231 3.075,1232 4.86,1233 3.08,1234 3.237,1235 3.273,1236 3.064,1237 3.054,1238 4.664,1239 3.042,1240 3.092,1241 3.149,1242 2.961,1243 2.897,1244 4.4,1245 2.889,1246 0.134,1247 0.112,1248 0.225,1249 0.133,1250 0.106,1251 4.943,1252 0.112,1253 4.162,1254 0.045,1255 8.34,1256 0.45,1257 4.903,1258 0.105,1259 3.915,1260 4.149,1261 1.674,1262 16.653,1263 3.871,1264 2.046,1265 2.024,1266 2.179,1267 2.16,1268 1.637,1269 2.165,1270 1.926,1271 1.905,1272 2.034,1273 2.017,1274 1.224,1275 2.02,1276 1.757,1277 1.74,1278 1.897,1279 1.903,1280 1.11,1281 1.901,1282 1.553,1283 1.526,1284 1.736,1285 1.727,1286 1.039,1287 1.717,1288 1.455,1289 1.395,1290 1.7,1291 1.653,1292 0.854,1293 1.681,1294 1.247,1295 1.173,1296 1.586,1297 1.482,1298 0.782,1299 1.518,1300 1.194,1301 1.153,1302 1.512,1303 1.429,1304 0.698,1305 1.45,1306 1.076,1307 1.012,1308 1.355,1309 1.298,1310 0.44,1311 1.313,1312 4.317,1314 5.753,1316 7.414,1318 9.185,1320 11.016,1322 5.485,1327 32.204,1328 0.93,1330 11.857,1332 -2.935,1334 -2.822,1340 38.906,1341 87.499,1342 230.191,1343 301.41,1344 335.549,1345 346.304,1346 346.304,1347 108.081,1348 8.728,1349 117.2,1350 117.2,1351 30,1352 13.472,1353 3.459,1354 3,1355 47.579,1356 121,1357 141,1358 0.204,1359 230.686,1360 428.71,1361 554.635,1362 73138,1364 23.759,1365 0.72,1366 0.578,1367 23.759,1368 19.077,1369 15.558,1370 0.42,1371 0.311,1372 11.358,1373 14.987,1374 11.006,1375 8.993,1376 15.558,1377 11.498,1378 15.485,1379 0.258,1380 0.177,1381 15.485,1382 10.615,1383 14.365,1384 0.16,1385 0.098,1386 14.365,1387 8.816,1388 12.532,1389 0.097,1390 0.054,1391 12.532,1392 6.928,1393 10.205,1394 0.057,1395 0.029,1396 10.205,1397 5.114,1398 0.306,1399 97.945,1400 0.206,1401 29.494,1402 0.606,1403 194,1404 543.391,1405 213.154,1406 507.646,1407 683.42,1408 472,1409 247,1410 493.879,1411 267.376,1412 495.082,1413 747.1,1414 466,1415 4.004}
{0 CHEMBL277984,1 1.553,2 12.346,3 3.546,4 12.576,5 101.703,6 6.894,7 0.393,8 4.038,9 4.17,10 3.532,11 3.517,12 5.076,13 3.485,14 4.611,15 4.8,16 3.827,17 3.918,18 5.741,19 3.843,20 4.881,21 5.148,22 3.843,23 4.052,24 5.675,25 3.938,26 4.872,27 5.129,28 3.791,29 4.024,30 5.735,31 3.91,32 4.856,33 5.107,34 3.717,35 4.022,36 5.738,37 3.89,38 4.864,39 5.124,40 3.574,41 4.016,42 5.617,43 3.846,44 4.88,45 5.17,46 3.416,47 3.91,48 5.616,49 3.713,50 4.727,51 5.031,52 3.273,53 3.686,54 5.491,55 3.499,56 0.179,57 0.764,58 12.04,59 4.759,60 9.618,61 6.758,62 0.46,63 1.2,64 22.631,65 7.963,66 64.581,67 11.746,68 0.341,69 1.449,70 30.533,71 9.809,72 32.273,73 15.437,74 0.403,75 1.424,76 30.45,77 9.49,78 43.501,79 14.697,80 0.484,81 1.381,82 29.951,83 9.792,84 50.226,85 14.812,86 0.278,87 1.35,88 29.81,89 10.726,90 35.125,91 15.982,92 0.339,93 1.254,94 31.163,95 10.399,96 45.816,97 15.871,98 0.388,99 1.036,100 27.268,101 8.221,102 44.803,103 12.972,104 15,105 36,106 0.261,107 0.567,108 0.747,109 0.856,110 0.888,111 0.888,112 3.303,113 1.005,114 -3.87,115 -3.83,116 -3.63,121 36.5,123 6,127 4,144 4,145 2,146 1,148 2,168 3,176 9,179 3,180 4,185 4,187 9,192 4,195 1,197 4,200 6,206 2,209 2,211 4,214 8,219 1,222 2,223 1,224 2,227 12,232 3,239 12,244 4,249 2,251 8,256 2,259 1,261 2,264 2,272 2,274 4,281 1200,282 17.933,283 17.933,284 17.933,285 17.933,286 17.933,287 16.255,288 19.306,289 11.323,290 18.179,291 13.903,292 13.903,293 13.903,294 13.903,295 13.903,296 11.32,297 20.158,298 5.466,299 14.302,300 4.148,301 2.331,302 1.26,303 0.615,304 0.423,305 0.423,306 3.994,310 1,311 1,312 1,313 687,314 3.808,318 176.921,322 203.269,325 1.831,326 21.754,328 1,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 57,338 321,339 4.64,340 4.674,341 6.829,342 4.207,343 3.226,344 4.564,345 4.929,346 11.348,347 3.162,348 3.914,349 3.361,350 5.982,351 3.524,352 2.532,353 3.437,354 0.4,355 8.37,356 2.512,357 3.828,358 2.669,359 5.381,360 3.21,361 2.236,362 3.333,363 0.4,364 6.711,365 2.176,366 3.522,367 2.357,368 4.659,369 3.135,370 2.182,371 2.893,372 0.341,373 5.184,374 2.078,375 2.941,376 2.241,377 4.116,378 2.82,379 1.856,380 2.142,382 3.788,383 1.789,384 2.888,385 1.976,386 3.981,387 2.527,388 1.559,389 1.894,391 3.383,392 1.513,393 2.645,394 1.739,395 3.827,396 2.472,397 1.497,398 1.672,400 3.329,401 1.448,402 2.544,403 1.53,404 3.615,405 2.345,406 1.347,407 1.545,409 3.078,410 1.343,411 2.485,412 1.438,413 3.594,414 2.242,415 1.247,416 1.484,418 2.902,419 1.24,420 2.2,421 1.35,422 3.432,423 2.081,424 1.128,425 1.181,427 2.451,428 1.07,429 1.912,430 1.229,431 3.059,432 1.734,433 0.775,434 0.854,436 1.724,437 0.739,438 1.58,439 1,440 2.854,441 1.356,442 0.42,443 0.468,445 0.901,446 0.391,447 1.273,448 0.906,449 2.576,450 0.99,451 0.045,452 0.052,454 0.106,455 0.042,456 1,457 0.554,458 2.404,459 0.674,460 -0.276,461 -0.313,463 -0.638,464 -0.261,465 0.921,466 0.155,467 2.135,468 0.538,469 -0.445,470 -0.568,472 -1.091,473 -0.436,474 12.1,475 0.465,476 0.418,477 0.016,478 30,479 1.154,480 13.5,481 0.519,482 16.5,483 0.635,484 22.929,485 0.882,486 29.9,487 0.575,488 19.901,489 0.765,490 5.592,491 0.215,492 7.162,493 0.275,494 0.055,496 0.24,501 0.481,502 1.282,503 0.841,504 1.156,505 0.482,506 1.076,507 0.557,508 1.233,509 0.963,510 1.144,511 0.287,512 1.122,513 0.572,514 1.018,515 0.825,516 0.917,517 0.339,518 0.905,519 0.823,520 0.98,521 1.013,522 0.972,523 0.74,524 1.007,525 0.797,526 0.915,527 1.101,528 1.007,529 0.712,530 1.087,531 0.629,532 1.08,533 1.081,534 1.208,535 0.537,536 1.223,537 0.676,538 1.008,539 0.99,540 1.096,541 0.683,542 1.104,543 0.745,544 0.928,545 0.915,546 0.944,547 0.761,548 0.961,549 3,550 0.062,551 2,552 1.313,553 1.2,554 0.438,555 0.3,556 0.161,557 0.123,558 0.097,559 8780,560 24961,561 2.082,562 50,563 6,564 12,567 2,568 2,569 4,572 1.685,573 2,574 3.492,575 0.289,577 1,582 80.746,583 1.553,584 3.37,585 4.441,586 5.085,587 5.277,588 5.277,589 2.859,590 4.056,591 4.663,592 3.76,593 1222.04,594 8.053,595 16348.1,597 1,599 1,600 296.423,601 1.14,602 4.655,603 0.107,604 0.004,605 0.056,606 0.035,607 0.035,608 0.014,609 0.012,610 0.008,611 0.007,612 0.006,613 0.283,614 0.33,615 1,616 2.273,617 130.678,618 0.255,619 0.051,620 0.065,621 0.04,622 0.056,623 0.014,624 0.269,625 -0.076,626 -0.029,627 -0.04,628 0.34,629 -0.077,630 0.032,631 0.014,632 0.106,633 0.092,634 0.04,635 0.11,636 -0.069,637 0.072,638 -0.063,639 0.02,640 -0.066,641 -0.014,642 -0.032,643 0.133,644 -0.156,645 0.005,646 -0.037,647 -0.083,648 -0.044,649 -0.082,650 -0.17,651 -0.153,652 -0.039,653 -0.178,654 -0.014,655 -0.108,656 -0.055,657 -0.096,658 -0.035,659 -0.087,660 0.028,661 -0.061,662 0.049,663 0.001,664 -0.02,665 0.022,666 2.759,667 3.046,668 0.538,669 28.189,670 1.002,671 1.138,672 2.638,673 6.961,674 0.63,675 3.367,676 3.611,677 3.85,678 4.127,679 4.394,680 4.454,681 4.575,682 4.663,683 4.71,684 4.543,685 7.376,686 0.597,687 358.49,688 3.367,689 4.86,690 5.68,691 6.532,692 7.386,693 8.258,694 9.13,695 10.014,696 10.898,697 11.79,698 7.7,700 1,703 1,708 1,710 1,714 2,715 4,716 1,720 3,722 11,734 1,741 52,743 13,744 1,745 28,747 54,748 19,749 9,750 2,751 4,756 3,757 6,767 4,770 6,772 9,773 10,777 2,779 1,782 2,789 1,790 1,793 26,794 6,795 2,796 7,802 4,808 0.333,809 3,822 1,829 3,833 2,853 1,859 1,868 26,876 10,877 2,878 1,893 5.8,897 1,899 2,901 13,902 8.983,903 5.944,904 3.471,907 2.516,908 1.346,909 0.955,910 7.037,911 9.79,912 3.597,913 4.135,914 4.649,915 5.258,916 5.865,917 6.191,918 6.567,919 6.907,920 7.2,921 7.004,922 0.875,923 37,924 9.603,926 3.94,927 0.026,929 7.763,931 18.706,933 15.209,936 2.263,937 58.833,939 1,940 1,941 282.506,942 77.438,943 61.091,945 61.966,948 77.438,949 344.472,950 61.091,951 8.284,952 26.117,953 55.916,954 46.015,955 13.416,957 282.506,958 50.747,959 282.506,960 138.529,961 61.966,964 235.422,965 47.084,966 61.966,968 49.028,969 54.705,970 34.796,972 282.506,973 123.057,974 77.438,977 282.506,978 39.533,979 46.189,980 36.022,981 78.751,982 282.506,983 123.057,984 77.438,986 0.553,987 0.305,988 0.173,989 0.099,990 15,991 6,992 0.185,993 10,994 2,995 1.286,996 3.969,997 202.125,998 0.286,999 14,1000 120.211,1005 18.869,1006 9.696,1007 5.294,1008 2.284,1009 114.773,1010 8.354,1011 4.865,1015 3.91,1017 36.022,1018 483.001,1019 35.5,1021 -0.759,1024 20.092,1031 52.109,1032 59.189,1034 0.272,1035 0.591,1036 0.779,1037 0.892,1038 0.926,1039 0.926,1040 4.794,1041 1.347,1042 5.609,1043 3.329,1044 4.29,1045 4.82,1046 3.707,1047 6.368,1048 4.238,1049 5.951,1050 1.247,1051 7.12,1052 3.078,1053 3.611,1054 4.663,1055 4.354,1056 7.222,1057 3.561,1058 7.238,1059 1.128,1060 8.748,1061 2.902,1062 5.796,1063 7.027,1064 6.582,1065 10.395,1066 5.699,1067 8.571,1068 0.775,1069 10.455,1070 2.451,1071 6.043,1072 7.777,1073 7.826,1074 12.208,1075 5.947,1076 9.947,1077 0.42,1078 12.216,1079 1.724,1080 7.63,1081 9.613,1082 9.657,1083 14.884,1084 7.499,1085 11.354,1086 0.045,1087 14.015,1088 0.901,1089 8.36,1090 10.772,1091 11.105,1092 17.064,1093 8.222,1094 12.784,1095 -0.276,1096 15.841,1097 0.106,1098 9.687,1099 12.409,1100 12.798,1101 19.578,1102 9.523,1103 3.226,1104 -0.445,1105 17.687,1106 -0.638,1107 10.657,1108 13.758,1109 14.33,1110 21.902,1111 10.479,1112 2.532,1113 11.348,1114 19.548,1115 -1.091,1116 11.879,1117 15.319,1118 15.967,1119 24.361,1120 11.679,1121 2.236,1122 8.37,1123 21.42,1124 4.564,1125 12.961,1126 16.758,1127 17.535,1128 26.744,1129 12.743,1130 2.182,1131 6.711,1132 23.3,1133 3.437,1134 14.145,1135 18.29,1136 19.148,1137 29.184,1138 13.906,1139 1.856,1140 5.184,1141 25.187,1142 3.333,1143 15.276,1144 19.77,1145 20.731,1146 31.592,1147 15.017,1148 1.559,1149 3.788,1150 27.079,1151 2.893,1152 16.447,1153 21.292,1154 22.334,1155 34.024,1156 16.168,1157 1.497,1158 3.383,1159 28.975,1160 2.142,1161 17.6,1162 22.792,1163 23.924,1164 36.444,1165 17.3,1166 8620,1167 14715,1168 19.068,1169 32.762,1170 39.779,1171 43.024,1172 40.955,1173 40.028,1174 40.099,1175 51.038,1176 12.141,1177 106.551,1178 39.005,1179 5.597,1180 6.674,1181 6.739,1182 5.247,1183 5.226,1184 7.564,1185 8.199,1186 18.879,1187 5.162,1188 10.202,1189 1.421,1190 1.537,1191 1.463,1192 1.43,1193 1.432,1194 1.823,1195 0.434,1196 3.805,1197 1.393,1198 4.113,1199 4.143,1200 4.073,1201 4.04,1202 7.823,1203 4.044,1204 3.778,1205 3.833,1206 3.719,1207 3.651,1208 6.999,1209 3.637,1210 3.732,1211 3.78,1212 3.618,1213 3.566,1214 4.972,1215 3.56,1216 3.673,1217 3.714,1218 3.549,1219 3.336,1220 4.452,1221 3.364,1222 3.451,1223 3.526,1224 3.314,1225 3.168,1226 4.411,1227 3.178,1228 3.272,1229 3.338,1230 3.129,1231 2.994,1232 4.254,1233 3.059,1234 3.151,1235 3.228,1236 3.02,1237 2.941,1238 4.102,1239 2.967,1240 3.059,1241 3.146,1242 2.846,1243 2.81,1244 3.974,1245 2.834,1246 0.166,1247 0.167,1248 0.244,1249 0.15,1250 0.115,1251 4.64,1252 0.163,1253 4.674,1254 0.176,1255 6.829,1256 0.405,1257 4.207,1258 0.113,1259 3.226,1260 4.564,1261 4.929,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.435,1269 2.163,1270 1.754,1271 1.709,1272 1.97,1273 1.968,1274 1.293,1275 1.949,1276 1.719,1277 1.648,1278 1.947,1279 1.879,1280 1.145,1281 1.902,1282 1.516,1283 1.453,1284 1.774,1285 1.871,1286 1.026,1287 1.813,1288 1.31,1289 1.252,1290 1.551,1291 1.677,1292 0.783,1293 1.627,1294 1.172,1295 1.12,1296 1.449,1297 1.468,1298 0.739,1299 1.474,1300 1.128,1301 1.056,1302 1.397,1303 1.352,1304 0.6,1305 1.381,1306 1.031,1307 0.962,1308 1.188,1309 1.306,1310 0.289,1311 1.34,1312 4.043,1314 5.303,1316 6.772,1318 8.36,1320 10.025,1328 9.022,1329 6.803,1330 4.263,1340 31.025,1341 80.746,1342 175.229,1343 230.913,1344 264.423,1345 274.423,1346 274.423,1347 40.923,1348 7.274,1349 92,1350 92,1351 18,1352 12.32,1353 3.807,1354 3.087,1355 44.796,1356 110,1357 134,1358 0.19,1359 192.446,1360 332.91,1361 461.329,1362 15092,1364 18.192,1365 0.7,1366 0.577,1367 18.192,1368 15,1369 12.754,1370 0.456,1371 0.335,1372 9.246,1373 12.159,1374 9.122,1375 7.554,1376 12.754,1377 9.379,1378 10.762,1379 0.299,1380 0.183,1381 10.762,1382 6.577,1383 8.46,1384 0.184,1385 0.103,1386 8.46,1387 4.727,1388 7.136,1389 0.117,1390 0.057,1391 7.136,1392 3.48,1393 6.032,1394 0.075,1395 0.032,1396 6.032,1397 2.593,1398 0.308,1399 80.731,1400 0.229,1401 25.834,1402 0.489,1403 128,1404 393.163,1405 142.99,1406 371.813,1407 498.87,1408 346,1409 146,1410 369.387,1411 159.418,1412 362.411,1413 523.49,1414 341,1415 7.955}
{0 CHEMBL278193,1 1.481,2 6.188,3 2.439,4 5.948,5 62.37,6 7.581,7 0.833,8 3.458,9 3.567,10 3.061,11 3.037,12 4.572,13 3.023,14 3.954,15 4.112,16 3.417,17 3.409,18 4.999,19 3.388,20 4.066,21 4.227,22 3.445,23 3.504,24 5.118,25 3.461,26 4.13,27 4.322,28 3.248,29 3.476,30 5.09,31 3.379,32 4.094,33 4.356,34 2.955,35 3.265,36 4.933,37 3.114,38 3.776,39 4.018,40 2.662,41 2.919,42 4.681,43 2.796,44 3.544,45 3.821,46 2.064,47 2.525,48 4.38,49 2.33,50 3.108,51 3.425,52 1.426,53 1.982,54 3.795,55 1.768,56 0.013,57 0.4,58 5.451,59 2.465,60 5.222,61 3.117,62 0.089,63 0.636,64 10.275,65 4.081,66 11.425,67 5.212,68 0.12,69 0.735,70 11.305,71 4.441,72 12.909,73 5.733,74 0.094,75 0.758,76 12.497,77 4.955,78 12.78,79 6.624,80 0.121,81 0.664,82 13.744,83 5.483,84 14.843,85 7.762,86 0.088,87 0.485,88 9.871,89 3.643,90 12.806,91 4.951,92 0.136,93 0.371,94 8.285,95 2.819,96 12.969,97 3.977,98 0.088,99 0.215,100 5.89,101 1.95,102 8.898,103 2.714,104 6,105 26,106 0.283,107 0.652,108 0.786,109 0.854,110 0.854,111 0.854,112 2.856,113 0.867,114 -2.52,115 -2.55,116 -2.49,121 46.4,122 1,126 1,144 4,145 2,146 1,147 1,148 1,154 2,176 4,180 4,185 3,187 4,192 3,195 1,197 4,200 5,206 2,214 4,219 3,222 1,227 3,232 1,239 1,243 1,244 1,281 212,282 11.025,283 11.025,284 11.025,285 11.025,286 11.025,287 9.318,288 6.739,289 6.346,290 11.324,291 8.82,292 8.82,293 8.82,294 8.82,295 8.82,296 6.189,297 6.122,298 2.925,299 9.204,300 3.326,301 1.397,302 0.697,303 0.34,304 0.34,305 0.34,306 3.532,311 1,312 1,313 215,314 2,317 19.341,318 56.022,321 79.42,325 0.984,326 8.051,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 34,338 99,339 4.748,340 3.289,341 6.85,342 4.239,343 3.259,344 4.849,345 0.86,346 11.415,347 3.194,348 4.033,349 2.826,350 5.939,351 3.567,352 2.602,353 3.704,355 8.216,356 2.51,357 3.569,358 2.466,359 5.235,360 3.142,361 2.202,362 2.953,364 6.484,365 2.062,366 3.373,367 1.929,368 5.105,369 2.867,370 1.892,371 2.79,373 5.79,374 1.841,375 2.91,376 1.466,377 4.324,378 2.365,379 1.423,380 2.109,382 3.775,383 1.337,384 2.667,385 1.268,386 3.83,387 2.19,388 1.202,389 1.743,391 3.028,392 1.186,393 2.084,394 1.079,395 3.221,396 1.621,397 0.698,398 0.928,400 1.529,401 0.638,402 1.582,403 0.597,404 2.804,405 1.253,406 0.36,407 0.433,409 0.606,410 0.32,411 1.085,412 -0.047,413 2.454,414 0.675,415 -0.284,416 -0.371,418 -0.623,419 -0.271,420 0.825,421 -0.404,422 2.3,423 0.343,424 -0.612,425 -0.843,427 -1.457,428 -0.578,429 0.591,430 -0.814,431 2.217,432 0.111,433 -0.876,434 -1.262,436 -2.599,437 -0.863,438 0.358,439 -0.962,440 2,441 -0.134,442 -1.093,443 -1.527,445 -3.173,446 -1.032,447 -0.056,448 -1.184,449 1.536,450 -0.402,451 -1.367,452 -1.81,454 -3.479,455 -1.314,456 -0.299,457 -1.333,458 1.282,459 -0.703,460 -1.592,461 -2.038,463 -4.253,464 -1.419,465 -0.414,466 -1.871,467 1.227,468 -0.907,469 -1.889,470 -2.805,472 -5.673,473 -1.793,474 7.633,475 0.477,476 0.38,477 0.024,478 23,479 1.438,480 12.5,481 0.781,482 10.5,483 0.656,484 9.518,485 0.595,486 16.367,487 0.585,488 13.343,489 0.834,490 4.676,491 0.292,492 3.116,493 0.195,494 0.131,496 0.393,501 0.909,502 1.182,503 0.752,504 0.994,505 0.9,506 0.872,507 1.268,508 1.008,509 0.757,510 0.771,511 0.981,512 0.714,513 1.15,514 1.012,515 1.011,516 0.946,517 1.046,518 0.952,519 1.005,520 1.16,521 1.243,522 1.211,523 1.137,524 1.241,525 0.489,526 0.974,527 0.889,528 1.087,529 0.587,530 1.055,531 1.186,532 1.106,533 1.101,534 1.125,535 1.19,536 1.112,537 1.062,538 0.932,539 1.276,540 1.144,541 1.115,542 1.221,543 1.528,544 0.686,545 1.01,546 0.709,547 1.299,548 0.803,549 3,551 2,552 1.389,553 0.982,554 0.403,555 0.213,556 0.075,557 0.02,559 1836,560 4637,561 2.135,562 42.9,564 7,566 1,567 1,568 3,572 1.556,573 2,574 2.683,575 -0.291,577 1,579 1,582 41.481,583 1.481,584 3.41,585 4.111,586 4.468,587 4.468,588 4.468,589 2.18,590 3.75,591 3.972,592 2.72,593 326.385,594 6.711,595 2697.86,597 1,599 1,600 134.606,601 1.406,602 3.933,603 0.167,605 0.077,606 0.053,607 0.049,608 0.029,609 0.021,610 0.019,611 0.01,613 0.425,614 1,615 1,616 0.875,617 62.371,618 -0.037,619 -0.105,620 0.062,621 -0.036,622 -0.087,623 0.018,624 -0.123,625 0.018,626 0.152,627 0.188,628 0.01,629 0.199,630 -0.125,631 0.062,632 -0.127,633 -0.015,634 -0.096,635 -0.063,636 -0.177,637 -0.139,638 -0.349,639 -0.268,640 -0.312,641 -0.316,642 0.224,643 -0.1,644 0.104,645 -0.084,646 0.248,647 -0.02,648 -0.087,649 -0.197,650 -0.092,651 -0.159,652 -0.081,653 -0.134,654 0.093,655 -0.026,656 -0.216,657 -0.196,658 0.003,659 -0.236,660 -0.156,661 0.096,662 0.151,663 0.294,664 -0.013,665 0.256,666 0.789,667 1.741,668 0.813,669 8.188,670 0.998,671 1.117,672 1.29,673 1.665,674 0.688,675 2.944,676 3.296,677 3.638,678 3.951,679 4.22,680 4.304,681 4.394,682 4.489,683 4.277,684 4.025,685 3.775,686 0.657,687 212.27,688 2.944,689 4.489,690 5.371,691 6.275,692 7.18,693 8.093,694 9.006,695 9.922,696 10.837,697 11.755,698 7.1,706 1,708 1,714 4,715 5,716 1,717 1,720 2,722 15,739 1,741 28,743 15,744 1,745 18,747 30,748 13,749 11,750 3,751 3,756 3,757 6,763 1,772 11,773 2,790 1,793 12,794 2,795 1,796 3,802 2,808 0.333,809 1,822 1,824 1,828 1,829 2,832 2,859 1,864 2,868 16,878 1,893 3.6,898 1,901 8,902 5.783,903 3.528,904 1.589,907 3.249,908 1.499,909 1.039,910 2.027,911 9.764,912 3.277,913 4.012,914 4.758,915 5.488,916 6.146,917 6.593,918 7.078,919 7.555,920 7.67,921 7.832,922 1,923 26,924 5.865,926 2.465,927 0.026,929 7.563,931 11.342,933 9.314,936 2.063,937 33,938 0.004,941 129.482,942 84.095,943 33.571,945 11,948 84.095,949 140.482,950 33.571,951 19.708,953 37.905,954 28.557,955 49.979,956 4.288,957 117.711,959 129.482,960 117.666,961 11,964 129.482,965 11,968 37.415,969 63.466,970 16.786,972 129.482,973 44.571,974 84.095,977 129.482,978 17.434,979 66.661,980 16.786,981 27.785,982 129.482,983 44.571,984 84.095,986 0.584,987 0.361,988 0.201,989 0.117,990 15,991 6,992 0.033,993 1,994 2,995 1.308,996 2.815,997 116.698,998 0.308,999 13,1000 64,1005 9.519,1006 3.407,1007 1.372,1008 4.596,1009 27.785,1010 9.909,1011 4.283,1012 3.38,1015 1.899,1017 16.786,1018 258.148,1019 25.5,1031 27.949,1032 31.282,1034 0.308,1035 0.709,1036 0.855,1037 0.929,1038 0.929,1039 0.929,1040 4.497,1041 0.36,1042 5.371,1043 1.529,1044 3.97,1045 4.696,1046 0.908,1047 6.236,1048 3.898,1049 5.755,1050 -0.284,1051 6.961,1052 0.606,1053 3.611,1054 4.691,1056 7.235,1057 3.526,1058 7.102,1059 -0.612,1060 8.653,1061 -0.623,1062 5.609,1063 7.119,1064 0.739,1065 10.376,1066 5.487,1067 8.495,1068 -0.876,1069 10.404,1070 -1.457,1071 6.089,1072 7.979,1074 12.224,1075 5.955,1076 9.921,1077 -1.093,1078 12.193,1079 -2.599,1080 7.566,1081 9.876,1082 0.593,1083 14.893,1084 7.407,1085 11.374,1086 -1.367,1087 14.009,1088 -3.173,1089 8.432,1090 11.137,1092 17.092,1093 8.261,1094 12.846,1095 -1.592,1096 15.845,1097 -3.479,1098 9.711,1099 12.83,1100 0.469,1101 19.605,1102 9.521,1103 3.259,1104 -1.889,1105 17.697,1106 -4.253,1107 10.753,1108 14.273,1110 21.946,1111 10.548,1112 2.602,1113 11.415,1114 19.561,1115 -5.673,1116 11.96,1117 15.888,1118 0.366,1119 24.406,1120 11.737,1121 2.202,1122 8.216,1123 21.435,1124 4.849,1125 13.078,1126 17.409,1128 26.803,1129 12.84,1130 1.892,1131 6.484,1132 23.318,1133 3.704,1134 14.262,1135 18.998,1136 0.283,1137 29.246,1138 14.005,1139 1.423,1140 5.79,1141 25.208,1142 2.953,1143 15.414,1144 20.552,1146 31.665,1147 15.14,1148 1.202,1149 3.775,1150 27.103,1151 2.79,1152 16.591,1153 22.132,1154 0.217,1155 34.102,1156 16.299,1157 0.698,1158 3.028,1159 29.003,1160 2.109,1161 17.758,1162 23.699,1164 36.53,1165 17.447,1166 1832,1167 2979,1168 12.137,1169 19.273,1170 27.263,1171 27.707,1172 28.565,1173 27.202,1174 27.275,1175 39.021,1176 1.72,1177 81.684,1178 26.179,1179 5.303,1180 5.289,1181 6.398,1182 5.276,1183 5.259,1184 7.849,1185 1.72,1186 18.704,1187 5.194,1188 6.479,1189 1.515,1190 1.539,1191 1.587,1192 1.511,1193 1.515,1194 2.168,1195 0.096,1196 4.538,1197 1.454,1198 4.211,1199 4.241,1200 4.183,1201 4.129,1202 5.09,1203 4.139,1204 3.698,1205 3.732,1206 3.637,1207 3.588,1208 4.762,1209 3.594,1210 3.313,1211 3.375,1212 3.196,1213 3.062,1214 4.463,1215 3.078,1216 3.192,1217 3.268,1218 3.029,1219 3.051,1220 3.98,1221 3.042,1222 3.039,1223 3.132,1224 2.845,1225 2.823,1226 3.909,1227 2.815,1228 2.861,1229 2.931,1230 2.691,1231 2.716,1232 3.658,1233 2.699,1234 2.436,1235 2.527,1236 2.227,1237 2.237,1238 3.291,1239 2.223,1240 2.233,1241 2.306,1242 2.106,1243 2.059,1244 3.039,1245 2.063,1246 0.264,1247 0.183,1248 0.381,1249 0.236,1250 0.181,1251 4.748,1252 0.269,1253 3.289,1254 0.048,1255 6.85,1256 0.634,1257 4.239,1258 0.177,1259 3.259,1260 4.849,1261 0.86,1262 11.415,1263 3.194,1264 1.971,1265 1.955,1266 2.04,1267 2.041,1268 1.204,1269 2.042,1270 1.846,1271 1.807,1272 1.945,1273 2.003,1274 1.034,1275 1.988,1276 1.26,1277 1.204,1278 1.581,1279 1.553,1280 0.616,1281 1.557,1282 1.186,1283 1.105,1284 1.536,1285 1.413,1286 0.575,1287 1.461,1288 1.031,1289 0.948,1290 1.267,1291 1.292,1292 0.306,1293 1.298,1294 0.869,1295 0.803,1296 1.114,1297 1.046,1298 0.184,1299 1.073,1300 0.632,1301 0.57,1302 0.87,1303 0.812,1305 0.835,1306 0.25,1307 0.148,1308 0.597,1309 0.544,1311 0.568,1312 3.611,1314 4.949,1315 2.398,1316 6.503,1317 4.844,1318 8.154,1319 7.066,1320 9.855,1322 3.692,1330 5.241,1340 18.392,1341 41.481,1342 95.487,1343 115.096,1344 125.096,1345 125.096,1346 125.096,1347 14.287,1348 6.515,1349 37.91,1350 37.91,1351 17,1352 12.265,1353 4,1354 3.087,1355 21.675,1356 37,1357 38,1358 0.32,1359 113.311,1360 178.63,1361 268.239,1362 4686,1364 11.121,1365 0.695,1366 0.578,1367 11.121,1368 9.242,1369 7.792,1370 0.433,1371 0.289,1372 5.13,1373 7.501,1374 4.932,1375 4.124,1376 7.792,1377 5.204,1378 6.983,1379 0.269,1380 0.148,1381 6.983,1382 3.855,1383 6.337,1384 0.171,1385 0.079,1386 6.337,1387 2.917,1388 5.361,1389 0.105,1390 0.04,1391 5.361,1392 2.065,1393 4.552,1394 0.068,1395 0.021,1396 4.552,1397 1.431,1398 0.465,1399 48.73,1400 0.287,1401 15.609,1402 0.99,1403 88,1404 237.714,1405 94.653,1406 231.903,1407 329.36,1408 220,1409 107,1410 252.264,1411 113.849,1412 258.868,1413 379.21,1414 243,1415 5}
{0 CHEMBL278342,1 1.387,2 11.618,3 2.277,4 5.186,5 127.49,6 7.29,7 0.158,8 4.265,9 4.354,10 3.804,11 3.797,12 5.366,13 3.782,14 4.863,15 5,16 4.33,17 4.279,18 5.932,19 4.269,20 5.262,21 5.381,22 4.629,23 4.597,24 6.454,25 4.584,26 5.597,27 5.77,28 4.615,29 4.74,30 6.823,31 4.668,32 5.647,33 5.893,34 4.46,35 4.679,36 6.731,37 4.555,38 5.459,39 5.709,40 4.267,41 4.421,42 6.533,43 4.327,44 5.123,45 5.318,46 4.091,47 4.159,48 6.398,49 4.099,50 4.877,51 5.087,52 3.855,53 3.999,54 6.002,55 3.911,56 0.088,57 0.822,58 13.687,59 6.858,60 21.583,61 8.174,62 0.323,63 1.429,64 27.016,65 11.961,66 57.284,67 14.754,68 0.564,69 2.066,70 40.746,71 17.069,72 92.755,73 20.375,74 1.549,75 2.706,76 62.362,77 22.617,78 248.554,79 28.339,80 1.333,81 2.813,82 68.592,83 24.21,84 201.765,85 33.204,86 1.192,87 2.234,88 58.7,89 18.972,90 176.62,91 25.495,92 1.216,93 1.594,94 40.83,95 13.247,96 169.07,97 16.721,98 0.665,99 1.313,100 30.856,101 11.141,102 78.708,103 14.621,104 83,105 64,106 0.222,107 0.589,108 0.754,109 0.81,110 0.846,111 0.846,112 3.562,113 0.909,114 -4.04,115 -3.99,116 -3.78,121 42.2,122 4,123 3,125 2,126 1,132 3,137 3,138 1,140 2,144 4,145 1,146 1,158 1,160 1,176 11,179 1,180 12,185 5,187 16,192 11,195 1,197 9,200 24,205 2,206 10,209 2,210 1,211 5,214 20,218 1,219 13,222 3,224 6,227 14,231 1,232 14,239 13,243 2,244 7,247 2,249 2,251 10,255 2,256 7,261 2,264 12,269 2,274 3,277 8,281 1688,282 21.715,283 21.715,284 21.715,285 21.715,286 21.715,287 20.224,288 28.225,289 11.508,290 22.12,291 18.505,292 18.505,293 18.505,294 18.505,295 18.505,296 15.981,297 36.393,298 5.238,299 19.119,300 4.613,301 2.323,302 1.29,303 0.938,304 0.715,305 0.715,306 4.253,311 1,312 1,313 862,314 4.416,318 333.159,322 297.764,325 1.934,326 62.617,329 1,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.98,337 75,338 395,339 5.293,340 4.527,341 9.377,342 5.253,343 4.275,344 4.352,345 1.674,346 20.327,347 4.182,348 4.683,349 3.92,350 8.411,351 4.604,352 3.638,353 3.985,354 1.277,355 15.786,356 3.507,357 4.392,358 3.707,359 7.382,360 4.035,361 3.064,362 3.725,363 0.86,364 11.695,365 2.973,366 4.1,367 3.516,368 6.507,369 3.899,370 2.915,371 3.522,372 0.86,373 10.149,374 2.86,375 3.975,376 2.973,377 6.101,378 3.678,379 2.692,380 3.074,382 8.779,383 2.652,384 3.696,385 2.885,386 6.057,387 3.294,388 2.349,389 3.023,391 7.704,392 2.208,393 3.452,394 2.731,395 5.684,396 3.165,397 2.192,398 2.571,400 6.766,401 2.142,402 3.294,403 2.592,404 5.296,405 3.074,406 2.095,407 2.367,409 6.612,410 2.019,411 3.133,412 2.496,413 5.04,414 2.823,415 1.849,416 2.152,418 5.513,419 1.773,420 2.912,421 1.794,422 4.539,423 2.411,424 1.463,425 1.973,427 4.257,428 1.373,429 2.5,430 1.671,431 4.383,432 2.06,433 1.077,434 1.5,436 3.137,437 1.05,438 2.274,439 1.242,440 4,441 2,442 1,443 1.183,445 2.275,446 1,447 2.09,448 1.053,449 3.876,450 1.514,451 0.57,452 0.655,454 1.516,455 0.527,456 1.693,457 1,458 3.662,459 1.44,460 0.5,461 0.553,463 1.102,464 0.454,465 1.604,466 0.889,467 3.53,468 1.388,469 0.391,470 0.512,472 0.814,473 0.389,474 15.833,475 0.466,476 1.527,477 0.045,478 35.5,479 1.044,480 14,481 0.412,482 21.5,483 0.632,484 45.376,485 1.335,486 38.167,487 0.596,488 32.641,489 0.96,490 6.402,491 0.188,492 9.416,493 0.277,494 0.242,495 0.158,496 0.221,501 0.8,502 1.129,503 0.799,504 1.106,505 0.776,506 0.978,507 0.779,508 0.955,509 0.633,510 0.921,511 0.628,512 0.773,513 1.153,514 1.226,515 0.99,516 1.197,517 1.032,518 1.08,519 1.207,520 1.118,521 1.223,522 1.127,523 1.294,524 1.17,525 0.767,526 1.005,527 0.92,528 1.011,529 0.899,530 1.002,531 1.153,532 0.822,533 0.924,534 0.812,535 1.353,536 0.816,537 1.369,538 0.889,539 1.137,540 0.889,541 1.216,542 0.949,543 0.955,544 0.993,545 0.998,546 0.997,547 0.953,548 1.005,549 11.5,550 0.277,551 9.333,552 5.563,553 4.978,554 2.368,555 1.298,556 0.832,557 0.492,558 0.379,559 14252,560 37266,561 2.004,562 46.9,563 9,564 10,567 2,569 9,572 1.763,573 1.782,574 3.388,575 0.147,577 1,582 88.76,583 1.387,584 3.677,585 4.71,586 5.062,587 5.285,588 5.285,589 2.982,590 4.617,591 5.052,592 3.583,593 2010.15,594 8.881,595 27725.4,600 384,601 1.914,602 4.942,603 0.303,604 0.011,605 0.146,606 0.068,607 0.067,608 0.038,609 0.025,610 0.019,611 0.014,612 0.014,613 0.705,614 0.5,615 0.75,616 0.807,617 176.437,618 -0.058,619 0.026,620 0.039,621 0.035,622 -0.116,623 0.054,624 0.056,625 0.137,626 0.265,627 0.162,628 0.054,629 0.244,630 -0.083,631 -0.145,632 -0.06,633 -0.137,634 -0.036,635 -0.101,636 -0.044,637 -0.113,638 -0.232,639 -0.136,640 -0.044,641 -0.212,642 0.096,643 -0.053,644 0.069,645 -0.047,646 0.071,647 -0.003,648 -0.068,649 0.102,650 0.117,651 0.118,652 -0.104,653 0.152,654 -0.024,655 0.07,656 -0.086,657 0.054,658 0.057,659 -0.016,660 0.031,661 -0.011,662 -0.012,663 -0.015,664 0.006,665 -0.021,666 3.088,667 6.36,668 0.706,669 33.232,670 1.009,671 1.12,672 2.813,673 7.913,674 0.65,675 3.664,676 4.174,677 4.585,678 4.883,679 5.215,680 5.421,681 5.602,682 5.799,683 6.023,684 6.161,685 6.472,686 0.624,687 466.57,688 3.664,689 5.323,690 6.267,691 7.245,692 8.217,693 9.203,694 10.186,695 11.178,696 12.169,697 13.166,715 4,720 2,722 6,739 1,741 64,743 11,744 1,745 38,747 68,748 27,749 6,750 2,751 4,752 8,756 5,757 11,763 4,764 2,766 2,767 3,768 3,770 3,772 14,773 13,774 3,777 5,782 2,784 3,786 5,793 30,794 7,795 2,796 7,808 0.4,809 7,812 2,829 5,833 3,841 1,846 1,849 5,850 1,857 2,858 1,859 2,864 5,868 34,875 2,876 3,878 3,882 5,893 10.9,894 2,896 2,897 1,898 2,901 19.083,902 13.067,903 6.958,904 3.808,907 2.103,908 1.238,909 0.875,910 4.85,911 10.925,912 3.85,913 4.472,914 5.032,915 5.493,916 6.004,917 6.306,918 6.627,919 6.967,920 7.371,921 7.679,922 0.875,923 82,924 12.992,926 6.327,927 0.026,929 7.939,931 24.005,933 21.507,936 2.439,937 82.917,941 329.591,942 154.547,945 168.656,948 154.547,949 498.247,951 46.184,952 7.604,953 151.7,954 84.101,955 33.614,957 329.591,959 329.591,960 154.547,961 168.656,964 223.651,965 178.23,966 96.367,968 42.904,969 72.727,970 38.916,972 329.591,973 168.656,974 154.547,977 329.591,978 42.03,979 112.518,981 168.656,982 329.591,983 168.656,984 154.547,986 0.632,987 0.404,988 0.202,989 0.111,990 37,991 17,992 0.029,993 2,994 3,995 1.25,996 3.959,997 373.199,998 0.25,999 24,1000 164.974,1005 23.344,1006 7.064,1007 2.799,1009 168.656,1010 7.091,1015 1.351,1017 85.367,1018 652.795,1019 46,1024 26.471,1026 4.79,1028 -0.218,1031 64.545,1032 71.694,1034 0.231,1035 0.613,1036 0.785,1037 0.844,1038 0.881,1039 0.881,1040 5.244,1041 2.095,1042 6.418,1043 6.766,1044 4.86,1045 5.159,1046 2.552,1047 7.531,1048 4.8,1049 6.547,1050 1.849,1051 8.203,1052 6.612,1053 5.094,1054 5.338,1056 9.402,1057 5.008,1058 7.971,1059 1.463,1060 10.126,1061 5.513,1062 6.868,1063 7.366,1064 3.188,1065 12.667,1066 6.759,1067 9.434,1068 1.077,1069 12.137,1070 4.257,1071 7.867,1072 8.248,1074 15.327,1075 7.733,1076 10.933,1077 1,1078 14.206,1079 3.137,1080 9.32,1081 9.886,1082 4.014,1083 18.358,1084 9.165,1085 12.46,1086 0.57,1087 16.315,1088 2.275,1089 10.592,1090 11.055,1092 21.25,1093 10.413,1094 14.01,1095 0.5,1096 18.452,1097 1.516,1098 11.994,1099 12.563,1100 4.941,1101 24.245,1102 11.794,1103 4.275,1104 0.391,1105 20.611,1106 1.102,1107 13.362,1108 13.864,1110 27.209,1111 13.14,1112 3.638,1113 20.327,1114 22.784,1115 0.814,1116 14.77,1117 15.324,1118 5.917,1119 30.204,1120 14.528,1121 3.064,1122 15.786,1123 24.969,1124 4.352,1125 16.176,1126 16.691,1128 33.193,1129 15.913,1130 2.915,1131 11.695,1132 27.163,1133 3.985,1134 17.597,1135 18.136,1136 6.918,1137 36.192,1138 17.313,1139 2.692,1140 10.149,1141 29.364,1142 3.725,1143 19.021,1144 19.538,1146 39.192,1147 18.717,1148 2.349,1149 8.779,1150 31.571,1151 3.522,1152 20.452,1153 20.979,1154 7.932,1155 42.196,1156 20.128,1157 2.192,1158 7.704,1159 33.782,1160 3.074,1161 21.886,1162 22.402,1164 45.201,1165 21.541,1166 13629,1167 22165,1168 23.633,1169 41.602,1170 62.34,1171 64.154,1172 66.728,1173 60.816,1174 60.735,1175 70.98,1176 9.344,1177 214.171,1178 58.795,1179 6.293,1180 6.527,1181 8.928,1182 6.355,1183 6.275,1184 7.352,1185 3.349,1186 31.384,1187 6.182,1188 22.127,1189 1.641,1190 1.688,1191 1.756,1192 1.6,1193 1.598,1194 1.868,1195 0.246,1196 5.636,1197 1.547,1198 4.112,1199 4.126,1200 4.061,1201 4.016,1202 7.433,1203 4.023,1204 3.944,1205 3.959,1206 3.897,1207 3.871,1208 7.426,1209 3.873,1210 3.798,1211 3.815,1212 3.742,1213 3.689,1214 6.457,1215 3.698,1216 3.582,1217 3.613,1218 3.493,1219 3.458,1220 6.432,1221 3.458,1222 3.433,1223 3.481,1224 3.31,1225 3.28,1226 4.911,1227 3.277,1228 3.283,1229 3.337,1230 3.15,1231 3.096,1232 4.748,1233 3.099,1234 3.215,1235 3.276,1236 3.068,1237 3.04,1238 4.483,1239 3.033,1240 3.16,1241 3.226,1242 2.978,1243 2.932,1244 4.396,1245 2.928,1246 0.139,1247 0.119,1248 0.247,1249 0.138,1250 0.112,1251 5.293,1252 0.115,1253 4.527,1254 0.044,1255 9.377,1256 0.535,1257 5.253,1258 0.11,1259 4.275,1260 4.352,1261 1.674,1262 20.327,1263 4.182,1264 2.04,1265 2.024,1266 2.151,1267 2.156,1268 1.545,1269 2.152,1270 1.921,1271 1.906,1272 2.016,1273 2.018,1274 1.189,1275 2.015,1276 1.763,1277 1.743,1278 1.915,1279 1.899,1280 1.104,1281 1.901,1282 1.558,1283 1.525,1284 1.738,1285 1.721,1286 0.993,1287 1.725,1288 1.42,1289 1.369,1290 1.69,1291 1.616,1292 0.848,1293 1.641,1294 1.245,1295 1.192,1296 1.573,1297 1.513,1298 0.699,1299 1.533,1300 1.204,1301 1.142,1302 1.533,1303 1.439,1304 0.592,1305 1.469,1306 1.147,1307 1.071,1308 1.466,1309 1.385,1310 0.527,1311 1.411,1312 4.344,1314 5.808,1316 7.502,1318 9.309,1320 11.182,1322 8.63,1327 24.174,1328 0.393,1330 17.163,1334 -6.928,1340 39.906,1341 88.76,1342 235.355,1343 301.471,1344 323.961,1345 338.226,1346 338.226,1347 106.395,1348 8.822,1349 106.2,1350 106.2,1351 30,1352 13.628,1353 3.585,1354 3.17,1355 49.976,1356 134,1357 180,1358 0.194,1359 237.351,1360 443.37,1361 570.897,1362 83001,1364 24.734,1365 0.727,1366 0.591,1367 24.734,1368 20.098,1369 15.817,1370 0.416,1371 0.303,1372 11.352,1373 15.189,1374 10.875,1375 8.94,1376 15.817,1377 11.508,1378 16.481,1379 0.258,1380 0.168,1381 16.481,1382 10.744,1383 15.592,1384 0.161,1385 0.091,1386 15.592,1387 8.854,1388 12.236,1389 0.093,1390 0.048,1391 12.236,1392 6.353,1393 10.34,1394 0.057,1395 0.025,1396 10.34,1397 4.612,1398 0.296,1399 99.752,1400 0.206,1401 30.434,1402 0.564,1403 204,1404 576.977,1405 225.922,1406 540.977,1407 736.67,1408 502,1409 263,1410 549.424,1411 287.03,1412 552.097,1413 830.42,1414 517,1415 7.585}
{0 CHEMBL278819,1 1.469,2 10.773,3 2.819,4 7.948,5 91.171,6 6.782,7 0.5,8 3.871,9 4.008,10 3.369,11 3.364,12 4.874,13 3.334,14 4.426,15 4.629,16 3.649,17 3.725,18 5.339,19 3.669,20 4.646,21 4.888,22 3.658,23 3.85,24 5.509,25 3.745,26 4.663,27 4.94,28 3.479,29 3.785,30 5.455,31 3.642,32 4.619,33 4.917,34 3.386,35 3.669,36 5.405,37 3.53,38 4.431,39 4.707,40 3.294,41 3.542,42 5.253,43 3.411,44 4.319,45 4.593,46 3.216,47 3.462,48 5.115,49 3.343,50 4.241,51 4.482,52 3.115,53 3.437,54 5.096,55 3.298,56 0.058,57 0.664,58 10.199,59 3.931,60 7.347,61 5.631,62 0.216,63 1.026,64 18.995,65 6.066,66 16.863,67 9.082,68 0.339,69 1.209,70 24.057,71 7.686,72 25.506,73 11.736,74 0.217,75 1.181,76 24.518,77 7.588,78 23.477,79 12.165,80 0.297,81 1.074,82 24.019,83 6.939,84 27.217,85 11.189,86 0.272,87 0.916,88 19.65,89 6.019,90 23.377,91 9.472,92 0.181,93 0.833,94 17.421,95 5.273,96 16.966,97 8.387,98 0.182,99 0.786,100 15.801,101 5.25,102 18.041,103 8.051,104 2,105 31,106 0.258,107 0.553,108 0.706,109 0.8,110 0.811,111 0.811,112 3.145,113 0.971,114 -3.83,115 -3.79,116 -3.6,121 38.6,122 1,127 6,144 6,145 2,148 1,149 1,168 1,176 8,180 3,183 1,185 1,187 8,191 1,192 6,195 2,197 2,200 6,206 5,214 5,218 1,219 4,224 1,227 5,231 1,232 3,235 1,237 2,239 3,249 2,251 1,255 1,256 2,261 1,268 1,269 4,281 660,282 15.259,283 15.259,284 15.259,285 15.259,286 15.259,287 13.794,288 15.329,289 9.437,290 15.67,291 11.882,292 11.882,293 11.882,294 11.882,295 11.882,296 9.767,297 21.054,298 4.518,299 12.503,300 3.991,301 2.31,302 1.432,303 0.898,304 0.835,305 0.835,306 3.834,310 1,311 1,312 1,313 512,314 2.345,318 234.132,325 1.884,326 12.171,327 1,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 47,338 237,339 4.335,340 3.056,341 6.234,342 3.939,343 2.962,344 4.012,345 0.86,346 9.347,347 2.894,348 3.964,349 2.885,350 5.918,351 3.589,352 2.618,353 3.491,354 0.8,355 8.236,356 2.543,357 3.519,358 2.693,359 5.339,360 3.427,361 2.509,362 2.617,363 0.4,364 6.963,365 2.297,366 3.275,367 2.179,368 4.503,369 2.807,370 1.829,371 2.515,373 4.625,374 1.786,375 2.863,376 1.884,377 4.174,378 2.54,379 1.605,380 1.99,382 3.802,383 1.503,384 2.662,385 1.74,386 3.674,387 2.368,388 1.455,389 1.728,391 3.205,392 1.317,393 2.545,394 1.298,395 3.513,396 2.169,397 1.199,398 1.548,400 2.726,401 1.159,402 2.5,403 1.256,404 3.334,405 2,406 1,407 1.5,409 2.278,410 1,411 2.138,412 1.107,413 3.247,414 1.952,415 1,416 1.113,418 2.136,419 0.946,420 2,421 1,422 3.247,423 1.936,424 1,425 1,427 2.136,428 0.93,429 1.398,430 0.439,431 2.763,432 1.178,433 0.219,434 0.246,436 0.516,437 0.209,438 0.826,439 -0.025,440 2.483,441 0.607,442 -0.328,443 -0.361,445 -0.753,446 -0.307,447 0.817,448 -0.36,449 2.248,450 0.445,451 -0.548,452 -0.704,454 -1.338,455 -0.543,456 0.549,457 -0.426,458 1.877,459 0.154,460 -0.8,461 -0.895,463 -1.8,464 -0.762,465 0.5,466 -0.695,467 1.566,469 -1,470 -1,472 -2.347,473 -0.846,474 10.433,475 0.474,476 0.346,477 0.016,478 26.75,479 1.216,480 12.5,481 0.568,482 14.25,483 0.648,484 16.705,485 0.759,486 24.367,487 0.554,488 17.047,489 0.775,490 5.486,491 0.249,492 5.341,493 0.243,494 0.048,496 0.23,501 0.849,502 1.408,503 0.868,504 1.219,505 0.787,506 1.072,507 1.454,508 1.124,509 1.038,510 0.973,511 1.085,512 0.96,513 1.087,514 1.029,515 1.062,516 0.991,517 0.959,518 1.021,519 0.859,520 1.128,521 1.044,522 1.057,523 0.983,524 1.057,525 1.068,526 0.862,527 0.959,528 0.806,529 1.171,530 0.849,531 0.943,532 0.967,533 0.987,534 0.926,535 1.053,536 0.954,537 1.061,538 0.971,539 0.99,540 0.889,541 1.107,542 0.912,543 0.92,544 1.16,545 1.245,546 1.25,547 1.287,548 1.273,549 3,550 0.045,551 2,552 0.813,553 0.636,554 0.542,555 0.384,556 0.137,557 0.086,558 0.104,559 5734,560 12888,561 2.125,562 50,563 3,564 18,567 1,572 1.638,573 2.063,574 3.401,575 -0.31,576 1,577 1,579 1,582 64.621,583 1.469,584 3.15,585 4.027,586 4.561,587 4.624,588 4.624,589 2.88,590 3.914,591 4.429,592 3.559,593 822.174,594 7.573,595 9412.96,597 1,599 1,600 240.215,601 1.023,602 4.423,603 0.125,604 0.005,605 0.065,606 0.027,607 0.026,608 0.025,609 0.019,610 0.007,611 0.005,612 0.009,613 0.313,614 0.67,615 1,616 0.405,617 103.54,618 0.087,619 -0.149,620 0.077,621 -0.095,622 0.099,623 -0.025,624 -0.151,625 -0.003,626 -0.038,627 0.033,628 -0.048,629 0.012,630 0.003,631 0.022,632 -0.076,633 -0.014,634 0.036,635 -0.054,636 -0.079,637 -0.127,638 -0.079,639 -0.104,640 -0.03,641 -0.091,642 -0.076,643 0.09,644 0.037,645 0.103,646 -0.068,647 0.089,648 0.052,649 0.014,651 0.016,652 -0.028,653 0.001,654 -0.123,655 0.031,656 -0.008,657 0.056,658 -0.137,659 0.045,660 -0.031,661 -0.106,662 -0.285,663 -0.257,664 -0.227,665 -0.292,666 0.798,667 1.854,668 0.818,669 20.727,670 0.993,671 1.135,672 2.599,673 6.755,674 0.644,675 3.219,676 3.466,677 3.689,678 3.871,679 4.06,680 3.97,681 4.06,682 4.06,683 4.094,684 4.127,685 6.322,686 0.603,687 298.43,688 3.219,689 4.71,690 5.525,691 6.358,692 7.188,693 8.026,694 8.862,695 9.703,696 10.543,697 11.387,698 9.1,701 1,703 1,708 2,715 6,716 2,720 4,722 12,734 1,741 44,743 12,744 1,745 24,747 46,748 17,749 10,750 1,751 5,756 3,757 3,763 1,772 10,773 7,789 1,790 1,793 22,794 5,795 1,796 5,802 4,808 1,809 1,821 1,829 3,855 1,858 1,859 3,864 1,868 22,876 6,877 1,878 1,881 1,893 2.3,897 1,901 10.667,902 8.017,903 4.972,904 2.697,907 2.154,908 1.323,909 0.97,910 5.119,911 8.83,912 3.434,913 3.932,914 4.443,915 4.942,916 5.466,917 5.57,918 5.941,919 6.197,920 6.448,921 6.621,922 1,923 30,924 8.117,926 3.295,927 0.026,929 7.485,931 15.976,933 12.778,936 1.985,937 43.667,938 0.001,940 1,941 247.193,942 94.746,943 54.461,945 11,948 94.746,949 258.193,950 54.461,951 8.825,952 17.608,953 56.857,954 62.337,955 12.252,956 2.328,957 247.193,959 247.193,960 149.207,961 11,964 247.193,966 11,968 32.314,969 65.557,970 51.337,972 247.193,973 65.461,974 94.746,977 247.193,978 29.063,979 68.807,980 18.011,981 44.326,982 247.193,983 65.461,984 94.746,986 0.561,987 0.322,988 0.171,989 0.091,990 14,991 5,992 0.109,993 5,995 1,996 3.637,997 160.556,999 18,1000 90.107,1005 15.104,1006 7.455,1007 4.115,1009 65.461,1010 12.219,1011 8.662,1015 3.999,1017 18.011,1018 407.4,1019 30,1031 43.687,1032 49.939,1034 0.269,1035 0.577,1036 0.738,1037 0.836,1038 0.847,1039 0.847,1040 4.625,1041 1,1042 5.451,1043 2.726,1044 4.143,1045 4.615,1046 1.324,1047 6.163,1048 4.053,1049 5.76,1050 1,1051 6.942,1052 2.278,1053 3.434,1054 4.111,1055 0.325,1056 6.862,1057 3.319,1058 7.014,1059 1,1060 8.537,1061 2.136,1062 5.631,1063 6.675,1064 0.958,1065 9.939,1066 5.467,1067 8.304,1068 0.219,1069 10.197,1070 2.136,1071 5.802,1072 7.059,1073 0.268,1074 11.518,1075 5.624,1076 9.632,1077 -0.328,1078 11.901,1079 0.516,1080 7.396,1081 9.053,1082 0.736,1083 14.054,1084 7.172,1085 10.986,1086 -0.548,1087 13.633,1088 -0.753,1089 8.001,1090 9.876,1091 0.188,1092 15.982,1093 7.768,1094 12.361,1095 -0.8,1096 15.386,1097 -1.338,1098 9.311,1099 11.594,1100 0.57,1101 18.323,1102 9.041,1103 2.962,1104 -1,1105 17.152,1106 -1.8,1107 10.139,1108 12.654,1109 0.125,1110 20.404,1111 9.859,1112 2.618,1113 9.347,1114 18.929,1115 -2.347,1116 11.314,1117 14.223,1118 0.439,1119 22.669,1120 11.004,1121 2.509,1122 8.236,1123 20.714,1124 4.012,1125 12.257,1126 15.417,1127 0.082,1128 24.82,1129 11.935,1130 1.829,1131 6.963,1132 22.504,1133 3.491,1134 13.37,1135 16.904,1136 0.334,1137 27.056,1138 13.023,1139 1.605,1140 4.625,1141 24.299,1142 2.617,1143 14.373,1144 18.176,1145 0.054,1146 29.242,1147 14.012,1148 1.455,1149 3.802,1150 26.097,1151 2.515,1152 15.459,1153 19.617,1154 0.252,1155 31.468,1156 15.076,1157 1.199,1158 3.205,1159 27.898,1160 1.99,1161 16.493,1162 20.935,1163 0.035,1164 33.673,1165 16.095,1166 5467,1167 8295,1168 16.583,1169 28.33,1170 34.9,1171 35.041,1172 35.057,1173 34.817,1174 34.791,1175 43.52,1176 4.12,1177 91.937,1178 33.168,1179 5.335,1180 5.056,1181 6.036,1182 5.042,1183 4.962,1184 7.012,1185 1.72,1186 15.748,1187 4.894,1188 5.589,1189 1.454,1190 1.46,1191 1.461,1192 1.451,1193 1.45,1194 1.813,1195 0.172,1196 3.831,1197 1.382,1198 3.99,1199 4.03,1200 3.943,1201 3.906,1202 5.044,1203 3.908,1204 3.819,1205 3.879,1206 3.714,1207 3.659,1208 4.701,1209 3.666,1210 3.74,1211 3.789,1212 3.654,1213 3.572,1214 4.627,1215 3.584,1216 3.408,1217 3.484,1218 3.248,1219 3.202,1220 4.188,1221 3.2,1222 3.111,1223 3.206,1224 2.951,1225 2.943,1226 4.025,1227 2.934,1228 3.107,1229 3.199,1230 2.866,1231 2.941,1232 3.843,1233 2.91,1234 2.936,1235 3.021,1236 2.793,1237 2.735,1238 3.674,1239 2.715,1240 2.854,1241 2.925,1242 2.687,1243 2.659,1244 3.625,1245 2.676,1246 0.181,1247 0.127,1248 0.26,1249 0.164,1250 0.123,1251 4.335,1252 0.167,1253 3.056,1254 0.036,1255 6.234,1256 0.389,1257 3.939,1258 0.121,1259 2.962,1260 4.012,1261 0.86,1262 9.347,1263 2.894,1264 1.949,1265 1.92,1266 2.051,1267 2.058,1268 1.263,1269 2.054,1270 1.766,1271 1.712,1272 1.966,1273 1.985,1274 1.135,1275 1.984,1276 1.703,1277 1.651,1278 1.868,1279 1.867,1280 0.998,1281 1.871,1282 1.387,1283 1.312,1284 1.678,1285 1.627,1286 0.9,1287 1.647,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.825,1293 1.429,1294 1.104,1295 1.028,1296 1.4,1297 1.352,1298 0.447,1299 1.376,1300 0.886,1301 0.821,1302 1.181,1303 1.173,1304 0.294,1305 1.17,1306 0.867,1307 0.777,1308 1.15,1309 1.062,1310 0.218,1311 1.107,1312 3.892,1314 5.153,1316 6.621,1318 8.177,1320 9.773,1322 2.068,1328 5.582,1329 3.383,1330 5.354,1333 2.4,1340 26.542,1341 64.621,1342 138.592,1343 177.195,1344 200.705,1345 203.46,1346 203.46,1347 26.165,1348 6.676,1349 50.28,1350 50.28,1351 18,1352 11.95,1353 3.7,1354 2.807,1355 34.755,1356 83,1357 76,1358 0.202,1359 165.269,1360 280.73,1361 395.017,1362 6826,1364 15.2,1365 0.691,1366 0.589,1367 15.2,1368 12.957,1369 10.826,1370 0.451,1371 0.324,1372 7.645,1373 10.377,1374 7.457,1375 6.177,1376 10.826,1377 7.765,1378 9.144,1379 0.295,1380 0.178,1381 9.144,1382 5.508,1383 7.616,1384 0.195,1385 0.099,1386 7.616,1387 3.878,1388 6.108,1389 0.13,1390 0.055,1391 6.108,1392 2.567,1393 4.861,1394 0.085,1395 0.029,1396 4.861,1397 1.679,1398 0.325,1399 67.934,1400 0.246,1401 22.303,1402 0.533,1403 110,1404 295.004,1405 120.178,1406 284.407,1407 393.24,1408 270,1409 125,1410 288.901,1411 136.233,1412 292.375,1413 422.16,1414 275,1415 4.071}
{0 CHEMBL278963,1 1.43,2 16.364,3 6.556,4 42.979,5 144.98,6 6.748,7 0.306,8 4.326,9 4.459,10 3.934,11 3.947,12 5.18,13 3.833,14 4.935,15 5.135,16 4.174,17 4.359,18 5.724,19 4.202,20 5.255,21 5.526,22 4.123,23 4.454,24 5.973,25 4.265,26 5.201,27 5.469,28 4.062,29 4.386,30 5.955,31 4.212,32 5.187,33 5.452,34 4,35 4.385,36 5.919,37 4.199,38 5.204,39 5.476,40 3.907,41 4.377,42 5.899,43 4.163,44 5.196,45 5.491,46 3.863,47 4.292,48 5.873,49 4.065,50 5.08,51 5.381,52 3.763,53 4.148,54 5.768,55 3.928,56 0.088,57 1.045,58 21.535,59 8.339,60 8.365,61 10.69,62 0.233,63 1.766,64 36.467,65 14.288,66 21.356,67 19.07,68 0.351,69 2.214,70 52.576,71 18.47,72 34.881,73 24.623,74 0.393,75 2.093,76 46.51,77 16.203,78 37.972,79 22.482,80 0.355,81 2.047,82 45.754,83 16.362,84 34.794,85 22.577,86 0.327,87 2.031,88 46.42,89 17.297,90 33.65,91 23.577,92 0.37,93 1.945,94 46.511,95 16.849,96 35.194,97 23.168,98 0.332,99 1.705,100 41.383,101 14.6,102 33.419,103 20.173,104 2,105 46,106 0.225,107 0.472,108 0.671,109 0.83,110 0.88,111 0.893,112 3.531,113 1.282,114 -5.31,115 -5.2,116 -4.86,121 37.5,123 13,127 3,129 1,144 4,145 2,146 1,148 2,160 1,176 14,180 5,183 1,185 5,187 14,192 5,197 5,200 9,206 4,209 1,211 7,214 10,219 2,224 5,227 15,232 2,239 17,244 3,248 1,249 1,251 16,256 1,264 11,269 1,272 1,274 3,277 9,281 2149,282 23.07,283 23.07,284 23.07,285 23.07,286 23.07,287 21.628,288 20.412,289 14.534,290 23.479,291 17.869,292 17.869,293 17.869,294 17.869,295 17.869,296 15.543,297 18.569,298 7.002,299 18.467,300 4.74,301 3.173,302 1.909,303 0.903,304 0.583,305 0.5,306 4.234,312 1,313 1183,314 4.243,317 113.215,318 258.713,322 297.019,325 2.612,326 19.489,329 1,330 0.67,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.83,337 68.5,338 540,339 4.64,340 4.08,341 6.829,342 4.207,343 3.226,344 4.564,345 1.907,346 11.348,347 3.162,348 3.914,349 3.574,350 5.982,351 3.524,352 2.545,353 3.437,354 0.4,355 8.37,356 2.512,357 3.661,358 3.361,359 5.381,360 3.468,361 2.532,362 2.893,363 0.149,364 6.998,365 2.398,366 3.538,367 3.354,368 5.353,369 3.378,370 2.376,371 2.829,373 6.711,374 2.296,375 3.522,376 2.669,377 5.034,378 3.135,379 2.182,380 2.54,382 6.09,383 2.079,384 2.94,385 2.356,386 4.116,387 2.833,388 1.84,389 2.142,391 3.77,392 1.827,393 2.862,394 1.921,395 3.98,396 2.55,397 1.58,398 1.869,400 3.378,401 1.527,402 2.625,403 1.729,404 3.821,405 2.512,406 1.526,407 1.655,409 3.329,410 1.501,411 2.574,412 1.662,413 3.682,414 2.401,415 1.423,416 1.574,418 3.221,419 1.385,420 2.494,421 1.54,422 3.594,423 2.345,424 1.347,425 1.492,427 2.969,428 1.343,429 2.455,430 1.441,431 3.592,432 2.242,433 1.247,434 1.447,436 2.902,437 1.24,438 2.15,439 1.35,440 3.417,441 2.053,442 1.135,443 1.146,445 2.459,446 1.027,447 2.071,448 1.25,449 3.253,450 1.943,451 0.981,452 1.037,454 2.182,455 0.93,456 1.798,457 1.091,458 3,459 1.637,460 0.66,461 0.724,463 1.467,464 0.642,465 1.618,466 0.857,467 2.983,468 1.578,469 0.618,470 0.618,472 1.372,473 0.585,474 16.7,475 0.506,476 0.448,477 0.014,478 31.75,479 0.962,480 12,481 0.364,482 19.75,483 0.598,484 40.347,485 1.223,486 37.3,487 0.518,488 16.987,489 0.515,490 4.084,491 0.124,492 12.225,493 0.37,494 0.02,496 0.21,501 0.768,502 1.193,503 0.753,504 0.945,505 0.555,506 1.048,507 0.732,508 1.234,509 1.015,510 1.122,511 0.55,512 1.149,513 1.076,514 1.051,515 1.037,516 1.01,517 0.963,518 0.957,519 1.314,520 0.98,521 0.91,522 0.885,523 1.229,524 0.963,525 1.319,526 0.974,527 0.955,528 0.923,529 1.251,530 1.019,531 1.127,532 1.007,533 0.955,534 0.983,535 1.199,536 1.084,537 0.893,538 0.937,539 0.788,540 0.908,541 1.09,542 0.988,543 1.064,544 0.915,545 0.725,546 0.836,547 1.34,548 0.913,549 3.5,550 0.065,551 2.444,552 1.535,553 1.325,554 0.462,555 0.397,556 0.214,557 0.161,558 0.082,559 20581,560 43031,561 2.134,562 54.2,563 14,564 11,567 2,568 4,569 6,570 2,572 1.742,573 2.084,574 3.883,575 0.132,582 102.967,583 1.43,584 2.997,585 4.261,586 5.267,587 5.587,588 5.67,589 3.263,590 4.378,591 5.017,592 4.195,593 2214.87,594 8.726,595 38314.5,600 444.235,601 0.931,602 5.013,603 0.097,604 0.003,605 0.053,606 0.034,607 0.032,608 0.012,609 0.012,610 0.007,611 0.006,612 0.003,613 0.259,614 0.17,615 0.75,616 0.306,617 183.657,618 0.017,619 0.014,620 0.19,621 0.122,622 0.044,623 0.055,624 0.082,625 -0.127,626 -0.042,627 -0.087,628 0.086,629 -0.099,630 -0.04,631 -0.049,632 -0.046,633 -0.032,634 -0.008,635 0.022,636 -0.085,637 0.026,638 -0.052,639 -0.008,640 -0.068,641 -0.014,642 -0.161,643 0.024,644 -0.101,645 -0.033,646 -0.117,647 -0.059,648 -0.123,649 -0.047,650 -0.114,651 -0.084,652 -0.121,653 -0.114,654 0.064,655 -0.028,656 0.023,657 -0.038,658 -0.02,659 -0.035,660 0.041,661 -0.021,662 0.078,663 0.016,664 -0.028,665 0.026,666 1.431,667 5.02,668 0.576,669 41.882,670 0.982,671 1.125,672 4.079,673 16.639,674 0.659,675 3.611,676 3.85,677 4.094,678 4.344,679 4.533,680 4.585,681 4.7,682 4.779,683 4.82,684 4.673,685 9.92,686 0.592,687 485.83,688 3.611,689 5.106,690 5.927,691 6.77,692 7.614,693 8.472,694 9.332,695 10.201,696 11.07,697 11.948,698 4.2,703 1,705 1,708 1,714 2,715 4,716 1,720 3,722 11,734 1,741 72,743 12,744 1,745 36,747 75,748 27,749 9,750 2,751 4,756 4,757 7,767 6,770 14,772 10,773 17,777 1,782 1,786 1,793 39,794 4,795 2,796 6,797 2,802 3,808 0.5,809 1,822 1,828 1,829 3,833 2,843 1,859 2,861 1,862 2,868 33,876 16,877 2,879 2,880 1,893 1.4,896 1,901 15.833,902 12.367,903 7.528,904 5.142,907 2.408,908 1.309,909 0.971,910 10.418,911 10.192,912 3.773,913 4.241,914 4.766,915 5.333,916 5.898,917 6.215,918 6.586,919 6.921,920 7.211,921 7.017,922 1,923 45,924 12.344,926 5.125,927 0.026,929 7.379,931 25.103,933 21.295,936 1.879,937 62,941 435.531,942 154.449,943 52.807,945 25.145,947 60.363,948 94.086,949 460.676,950 52.807,952 56.071,953 37.905,954 64.646,955 13.416,957 495.894,959 435.531,960 146.893,961 25.145,962 60.363,964 341.362,965 119.314,968 60.972,969 51.125,970 34.796,971 60.363,972 435.531,973 77.952,974 154.449,977 435.531,978 116.544,979 37.905,980 36.022,981 41.93,982 435.531,983 77.952,984 154.449,986 0.553,987 0.315,988 0.176,989 0.092,990 19,991 7,992 0.173,993 13,994 2,995 1.211,996 4.807,997 273.97,998 0.211,999 19,1000 166.465,1001 2,1005 25.041,1006 13.729,1007 7.716,1008 2.384,1009 77.952,1010 8.543,1011 4.934,1015 4.075,1017 36.022,1018 667.932,1019 42.5,1024 12.02,1028 0.236,1031 70.69,1032 81.018,1034 0.232,1035 0.486,1036 0.691,1037 0.854,1038 0.905,1039 0.919,1040 4.982,1041 1.526,1042 5.844,1043 3.378,1044 4.533,1045 4.927,1046 1.997,1047 6.578,1048 4.473,1049 6.098,1050 1.423,1051 7.339,1052 3.329,1053 3.761,1054 4.605,1055 1.593,1056 7.357,1057 3.686,1058 7.358,1059 1.347,1060 8.947,1061 3.221,1062 6.023,1063 7.032,1064 2.907,1065 10.521,1066 5.912,1067 8.663,1068 1.247,1069 10.632,1070 2.969,1071 6.217,1072 7.712,1073 3.032,1074 12.286,1075 6.084,1076 10.016,1077 1.135,1078 12.371,1079 2.902,1080 7.821,1081 9.577,1082 4.038,1083 14.943,1084 7.667,1085 11.403,1086 0.981,1087 14.149,1088 2.459,1089 8.506,1090 10.717,1091 4.409,1092 17.099,1093 8.331,1094 12.817,1095 0.66,1096 15.955,1097 2.182,1098 9.831,1099 12.371,1100 5.25,1101 19.602,1102 9.64,1103 3.226,1104 0.618,1105 17.783,1106 1.467,1107 10.766,1108 13.721,1109 5.75,1110 21.917,1111 10.556,1112 2.545,1113 11.348,1114 19.628,1115 1.372,1116 11.979,1117 15.291,1118 6.501,1119 24.37,1120 11.754,1121 2.532,1122 8.37,1123 21.485,1124 4.564,1125 13.036,1126 16.734,1127 7.068,1128 26.75,1129 12.793,1130 2.376,1131 6.998,1132 23.353,1133 3.437,1134 14.211,1135 18.272,1136 7.771,1137 29.187,1138 13.951,1139 2.182,1140 6.711,1141 25.23,1142 2.893,1143 15.326,1144 19.756,1145 8.374,1146 31.594,1147 15.048,1148 1.84,1149 6.09,1150 27.114,1151 2.829,1152 16.49,1153 21.281,1154 9.051,1155 34.026,1156 16.194,1157 1.58,1158 3.77,1159 29.003,1160 2.54,1161 17.632,1162 22.784,1163 9.674,1164 36.445,1165 17.319,1166 19216,1167 27918,1168 25.019,1169 47.472,1170 51.189,1171 55.529,1172 52.096,1173 51.434,1174 51.451,1175 61.023,1176 4.912,1177 135.381,1178 49.872,1179 5.633,1180 6.08,1181 6.719,1182 5.247,1183 5.226,1184 7.564,1185 3.306,1186 18.879,1187 5.162,1188 7.91,1189 1.422,1190 1.542,1191 1.447,1192 1.429,1193 1.429,1194 1.695,1195 0.136,1196 3.761,1197 1.385,1198 4.114,1199 4.145,1200 4.233,1201 4.042,1202 7.429,1203 4.045,1204 3.837,1205 3.89,1206 4.072,1207 3.796,1208 4.972,1209 3.715,1210 3.75,1211 3.808,1212 3.671,1213 3.653,1214 4.413,1215 3.637,1216 3.732,1217 3.781,1218 3.617,1219 3.631,1220 4.282,1221 3.609,1222 3.639,1223 3.691,1224 3.538,1225 3.519,1226 4.221,1227 3.488,1228 3.485,1229 3.561,1230 3.359,1231 3.323,1232 4.16,1233 3.308,1234 3.319,1235 3.387,1236 3.227,1237 3.162,1238 3.984,1239 3.151,1240 3.217,1241 3.28,1242 3.087,1243 3.077,1244 3.946,1245 3.057,1246 0.129,1247 0.113,1248 0.19,1249 0.117,1250 0.09,1251 4.64,1252 0.127,1253 4.08,1254 0.053,1255 6.829,1256 0.315,1257 4.207,1258 0.088,1259 3.226,1260 4.564,1261 1.907,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.436,1269 2.163,1270 1.788,1271 1.732,1272 2.022,1273 1.965,1274 1.382,1275 1.986,1276 1.754,1277 1.709,1278 1.989,1279 1.904,1280 1.362,1281 1.939,1282 1.748,1283 1.687,1284 1.949,1285 1.872,1286 1.155,1287 1.902,1288 1.57,1289 1.512,1290 1.805,1291 1.774,1292 1.137,1293 1.791,1294 1.472,1295 1.398,1296 1.747,1297 1.664,1298 1.057,1299 1.701,1300 1.304,1301 1.25,1302 1.547,1303 1.515,1304 0.845,1305 1.539,1306 1.238,1307 1.188,1308 1.482,1309 1.405,1310 0.76,1311 1.443,1312 4.29,1314 5.549,1315 2.398,1316 7.002,1317 4.443,1318 8.564,1319 6.26,1320 10.198,1328 18.065,1329 6.872,1331 4.042,1332 0.829,1340 42.636,1341 102.967,1342 215.795,1343 306.776,1344 379.215,1345 402.235,1346 408.235,1347 59.755,1348 7.784,1349 54.02,1350 104.62,1351 23,1352 12.488,1353 3.7,1354 2.907,1355 55.15,1356 201,1357 187,1358 0.128,1359 269.267,1360 467.39,1361 648.771,1362 33857,1364 22.719,1365 0.688,1366 0.652,1367 23.426,1368 21.505,1369 16.31,1370 0.453,1371 0.427,1372 13.09,1373 15.123,1374 12.683,1375 10.486,1376 17.389,1377 15.386,1378 13.555,1379 0.295,1380 0.265,1381 14.823,1382 12.189,1383 11.16,1384 0.189,1385 0.166,1386 12.544,1387 9.811,1388 9.269,1389 0.122,1390 0.105,1391 10.676,1392 7.957,1393 7.215,1394 0.078,1395 0.052,1396 7.827,1397 4.789,1398 0.216,1399 109.293,1400 0.2,1401 32.257,1402 0.313,1403 164,1404 355.767,1405 212.934,1406 390.492,1407 538.43,1408 370,1409 187,1410 361.408,1411 234.594,1412 395.207,1413 573.37,1414 377,1415 7.521}
{0 CHEMBL281588,1 1.343,2 10.857,3 3.563,4 12.692,5 89.196,6 6.568,7 0.522,8 3.836,9 3.982,10 3.31,11 3.367,12 4.802,13 3.318,14 4.392,15 4.602,16 3.58,17 3.744,18 5.26,19 3.656,20 4.678,21 4.953,22 3.556,23 3.848,24 5.447,25 3.709,26 4.632,27 4.927,28 3.35,29 3.722,30 5.365,31 3.555,32 4.505,33 4.813,34 3.243,35 3.56,36 5.262,37 3.404,38 4.308,39 4.608,40 3.122,41 3.393,42 5.068,43 3.253,44 4.1,45 4.369,46 3.045,47 3.282,48 4.911,49 3.167,50 4.065,51 4.322,52 2.943,53 3.271,54 4.884,55 3.135,56 0.073,57 0.658,58 10.119,59 3.896,60 8.206,61 5.739,62 0.158,63 1.043,64 18.229,65 6.248,66 14.63,67 9.593,68 0.255,69 1.235,70 24.745,71 8.224,72 22.622,73 12.762,74 0.197,75 1.121,76 23.667,77 7.683,78 21.674,79 12.149,80 0.222,81 0.979,82 21.054,83 6.421,84 22.502,85 10.325,86 0.187,87 0.819,88 17.237,89 5.21,90 17.446,91 8.393,92 0.134,93 0.704,94 13.868,95 4.14,96 13.156,97 6.713,98 0.124,99 0.679,100 13.289,101 4.214,102 13.545,103 6.671,105 29,106 0.237,107 0.516,108 0.67,109 0.806,110 0.817,111 0.817,112 3.101,113 1.014,114 -4.62,115 -4.54,116 -4.27,121 39.5,123 3,127 4,144 7,145 1,148 1,149 1,168 1,176 9,180 5,183 1,185 1,187 8,192 6,195 2,197 1,200 6,206 4,214 4,218 1,219 4,224 3,227 3,231 1,232 2,237 3,239 1,244 2,249 2,251 2,256 4,261 1,264 3,269 3,277 1,281 575,282 14.759,283 14.759,284 14.759,285 14.759,286 14.759,287 13.347,288 13.959,289 9.243,290 15.018,291 11.404,292 11.404,293 11.404,294 11.404,295 11.404,296 9.377,297 20.303,298 4.443,299 11.812,300 4.084,301 2.497,302 1.626,303 0.855,304 0.791,305 0.791,306 3.793,310 1,311 1,312 1,313 495,314 2.236,318 223.343,325 1.878,326 8.159,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 44,338 228,339 4.244,340 2.892,341 6.143,342 3.851,343 2.87,344 3.889,345 0.8,346 9.054,347 2.816,348 3.802,349 2.832,350 5.362,351 3.468,352 2.537,353 3.302,354 0.4,355 7.019,356 2.363,357 3.516,358 2.554,359 5.303,360 3.362,361 2.414,362 2.596,364 6.86,365 2.283,366 3.266,367 1.863,368 4.447,369 2.808,370 1.829,371 2.508,373 4.519,374 1.787,375 2.667,376 1.608,377 3.68,378 2.532,379 1.549,380 1.733,382 3.236,383 1.519,384 2.546,385 1.317,386 3.512,387 2.2,388 1.221,389 1.548,391 2.748,392 1.193,393 2.5,394 1.089,395 3.414,396 2,397 1,398 1.5,400 2.275,401 1,402 2.5,403 1.077,404 3.303,405 1.984,406 1,407 1.5,409 2.26,410 0.983,411 2.113,412 1,413 3.247,414 1.983,415 1,416 1.092,418 2.136,419 0.982,420 2,421 1,422 3.247,423 1.959,424 1,425 1,427 2.136,428 0.957,429 1.248,430 0.257,431 2.664,432 1.031,433 0.075,434 0.083,436 0.179,437 0.072,438 0.82,439 -0.296,440 2.302,441 0.558,442 -0.414,443 -0.485,445 -0.938,446 -0.402,447 0.558,448 -0.725,449 2,450 0.211,451 -0.774,452 -0.885,454 -1.705,455 -0.759,456 0.5,457 -0.784,458 1.727,460 -1,461 -1,463 -2.142,464 -0.946,465 0.5,466 -0.946,467 1.555,468 -0.019,469 -1,470 -1.263,472 -2.347,473 -0.949,474 10.1,475 0.481,476 0.256,477 0.012,478 25.75,479 1.226,480 12.5,481 0.595,482 13.25,483 0.631,484 15.493,485 0.738,486 22.9,487 0.533,488 15.149,489 0.721,490 4.932,491 0.235,492 5.484,493 0.261,496 0.188,501 0.831,502 1.343,503 0.91,504 1.154,505 0.692,506 1.058,507 1.19,508 1.231,509 1.074,510 1.119,511 0.778,512 1.091,513 1.061,514 0.963,515 0.996,516 0.96,517 0.8,518 0.97,519 1.102,520 1.045,521 0.994,522 0.987,523 1.006,524 0.981,525 1.197,526 0.896,527 0.925,528 0.828,529 1.189,530 0.846,531 1.232,532 0.908,533 0.921,534 0.821,535 1.138,536 0.837,537 1.519,538 1.049,539 1.061,540 0.916,541 1.474,542 0.939,543 1.49,544 1.087,545 1.221,546 1.071,547 1.767,548 1.111,549 2.5,550 0.045,551 1.556,552 0.5,553 0.284,554 0.431,555 0.281,556 0.047,557 0.065,558 0.088,559 5329,560 10239,561 2.161,562 51.2,563 2,564 15,567 1,569 4,572 1.621,573 2.136,574 3.424,575 -0.338,577 1,579 1,582 57.735,583 1.343,584 2.93,585 3.8,586 4.571,587 4.636,588 4.636,589 2.892,590 3.69,591 4.363,592 3.574,593 750.455,594 7.423,595 8447.81,597 1,599 1,600 233.329,601 0.702,602 4.371,603 0.109,604 0.005,605 0.054,606 0.019,607 0.014,608 0.023,609 0.017,610 0.003,611 0.005,612 0.008,613 0.254,614 0.5,615 1,617 97.979,618 0.177,619 -0.095,620 0.072,621 -0.044,622 0.229,623 -0.004,624 -0.032,625 -0.092,626 -0.08,627 -0.101,628 0.116,629 -0.096,630 0.042,631 0.036,632 -0.007,634 0.159,635 -0.007,636 -0.058,637 -0.102,638 -0.011,639 -0.043,640 0.054,641 -0.026,642 0.004,643 0.044,644 0.076,645 0.082,646 0.022,647 0.085,648 0.016,649 0.054,650 0.085,651 0.09,652 0.01,653 0.094,654 -0.191,655 -0.008,656 -0.05,657 0.014,658 -0.224,659 -0.001,660 -0.266,661 -0.037,662 -0.223,663 -0.116,664 -0.433,665 -0.157,666 0.813,667 1.288,668 0.857,669 19.637,670 0.985,671 1.133,672 3.387,673 11.47,674 0.648,675 3.178,676 3.401,677 3.611,678 3.784,679 3.97,680 3.85,681 3.932,682 3.932,683 3.97,684 4.043,685 6.403,686 0.601,687 282.43,688 3.178,689 4.654,690 5.46,691 6.279,692 7.096,693 7.92,694 8.742,695 9.57,696 10.394,697 11.224,698 9.3,701 1,703 1,708 2,715 7,716 2,720 3,722 12,734 1,741 43,743 12,744 1,745 23,747 45,748 17,749 10,750 1,751 5,756 3,757 3,767 3,770 3,772 10,773 7,789 1,790 1,793 22,794 4,795 1,796 4,802 4,808 1,821 1,829 3,855 1,859 3,868 21,876 7,877 1,881 1,901 9.833,902 7.433,903 4.778,904 2.829,907 2.165,908 1.328,909 0.982,910 4.931,911 8.76,912 3.401,913 3.871,914 4.369,915 4.864,916 5.386,917 5.44,918 5.827,919 6.076,920 6.314,921 6.534,922 1,923 27,924 7.762,926 3.162,927 0.026,929 7.405,931 15.483,933 12.59,936 1.905,937 40,938 0.001,940 1,941 247.193,942 90.63,943 54.461,948 90.63,949 247.193,950 54.461,952 16.026,953 66.334,954 51.337,955 9.067,956 2.328,957 247.193,959 247.193,960 145.091,964 200.109,965 47.084,968 21.907,969 71.847,970 51.337,972 247.193,973 54.461,974 90.63,977 247.193,978 24.297,979 69.458,980 18.011,981 33.326,982 247.193,983 54.461,984 90.63,986 0.554,987 0.314,988 0.167,989 0.09,990 13,991 4,992 0.111,993 5,995 1,996 3.623,997 147.683,999 18,1000 84.239,1005 14.183,1006 7.302,1007 4.1,1009 54.461,1010 14.162,1011 8.546,1015 2.869,1017 18.011,1018 392.285,1019 29,1031 42.36,1032 48.73,1034 0.247,1035 0.54,1036 0.7,1037 0.842,1038 0.854,1039 0.854,1040 4.575,1041 1,1042 5.361,1043 2.275,1044 4.078,1045 4.554,1046 0.824,1047 6.033,1048 4.009,1049 5.689,1050 1,1051 6.821,1052 2.26,1053 3.219,1054 3.861,1055 0.325,1056 6.629,1057 3.074,1058 6.92,1059 1,1060 8.381,1061 2.136,1062 5.525,1063 6.567,1064 0.413,1065 9.696,1066 5.382,1067 8.187,1068 0.075,1069 10.006,1070 2.136,1071 5.565,1072 6.776,1073 0.268,1074 11.212,1075 5.351,1076 9.492,1077 -0.414,1078 11.676,1079 0.179,1080 7.233,1081 8.884,1082 0.246,1083 13.71,1084 7.022,1085 10.821,1086 -0.774,1087 13.376,1088 -0.938,1089 7.727,1090 9.552,1091 0.188,1092 15.602,1093 7.465,1094 12.172,1095 -1,1096 15.098,1097 -1.705,1098 9.08,1099 11.352,1100 0.157,1101 17.902,1102 8.814,1103 2.87,1104 -1,1105 16.837,1106 -2.142,1107 9.819,1108 12.284,1109 0.125,1110 19.96,1111 9.52,1112 2.537,1113 9.054,1114 18.587,1115 -2.347,1116 11.011,1117 13.907,1118 0.102,1119 22.19,1120 10.702,1121 2.414,1122 7.019,1123 20.347,1124 3.889,1125 11.886,1126 15.001,1127 0.082,1128 24.323,1129 11.555,1130 1.829,1131 6.86,1132 22.115,1133 3.302,1134 12.996,1135 16.517,1136 0.067,1137 26.529,1138 12.655,1139 1.549,1140 4.519,1141 23.889,1142 2.596,1143 13.946,1144 17.711,1145 0.054,1146 28.697,1147 13.589,1148 1.221,1149 3.236,1150 25.668,1151 2.508,1152 15.017,1153 19.163,1154 0.043,1155 30.898,1156 14.649,1157 1,1158 2.748,1159 27.451,1160 1.733,1161 16.008,1162 20.418,1163 0.035,1164 33.083,1165 15.628,1166 5044,1167 7137,1168 16.178,1169 27.875,1170 33.091,1171 33.066,1172 33.167,1173 33.023,1174 32.99,1175 41.504,1176 2.4,1177 84.843,1178 31.911,1179 5.244,1180 4.892,1181 5.945,1182 4.894,1183 4.87,1184 6.889,1185 1.2,1186 15.117,1187 4.816,1189 1.439,1190 1.438,1191 1.442,1192 1.436,1193 1.434,1194 1.805,1195 0.104,1196 3.689,1197 1.387,1198 3.98,1199 4.022,1200 3.928,1201 3.896,1202 5.054,1203 3.897,1204 3.855,1205 3.921,1206 3.727,1207 3.7,1208 4.702,1209 3.696,1210 3.724,1211 3.778,1212 3.648,1213 3.589,1214 4.352,1215 3.598,1216 3.439,1217 3.518,1218 3.276,1219 3.264,1220 4.102,1221 3.256,1222 3.111,1223 3.206,1224 2.903,1225 2.941,1226 3.884,1227 2.91,1228 3.03,1229 3.121,1230 2.866,1231 2.856,1232 3.711,1233 2.858,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 3.674,1239 2.715,1240 2.845,1241 2.919,1242 2.665,1243 2.661,1244 3.49,1245 2.65,1246 0.185,1247 0.126,1248 0.267,1249 0.167,1250 0.125,1251 4.244,1252 0.169,1253 2.892,1254 0.035,1255 6.143,1256 0.394,1257 3.851,1258 0.122,1259 2.87,1260 3.889,1261 0.8,1262 9.054,1263 2.816,1264 1.941,1265 1.912,1266 2.062,1267 2.053,1268 1.413,1269 2.055,1270 1.834,1271 1.767,1272 2.042,1273 2.015,1274 1.119,1275 2.028,1276 1.689,1277 1.641,1278 1.837,1279 1.856,1280 1.056,1281 1.856,1282 1.436,1283 1.36,1284 1.689,1285 1.643,1286 0.825,1287 1.665,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.789,1293 1.429,1294 0.997,1295 0.925,1296 1.306,1297 1.266,1298 0.552,1299 1.284,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.245,1305 1.107,1306 0.861,1307 0.779,1308 1.124,1309 1.045,1310 0.218,1311 1.078,1312 3.85,1314 5.094,1316 6.544,1318 8.077,1320 9.648,1328 8.551,1329 3.355,1333 2.516,1340 25.827,1341 57.735,1342 125.969,1343 163.413,1344 196.574,1345 199.329,1346 199.329,1347 23.595,1348 6.594,1349 41.05,1350 41.05,1351 18,1352 11.798,1353 3.7,1354 2.807,1355 32.559,1356 81,1357 69,1358 0.194,1359 161.273,1360 271.94,1361 385.266,1362 6343,1364 14.33,1365 0.682,1366 0.587,1367 14.33,1368 12.333,1369 10.416,1370 0.453,1371 0.338,1372 7.691,1373 10.108,1374 7.551,1375 6.283,1376 10.416,1377 7.771,1378 8.614,1379 0.297,1380 0.19,1381 8.614,1382 5.499,1383 7.157,1384 0.199,1385 0.109,1386 7.157,1387 3.917,1388 5.725,1389 0.133,1390 0.063,1391 5.725,1392 2.715,1393 4.586,1394 0.088,1395 0.036,1396 4.586,1397 1.864,1398 0.315,1399 64.47,1400 0.249,1401 21.598,1402 0.5,1403 104,1404 243.268,1405 111.299,1406 242.686,1407 340.77,1408 230,1409 117,1410 258.265,1411 125.132,1412 262.142,1413 376.64,1414 248,1415 4.886}
{0 CHEMBL283509,1 1.402,2 11.722,3 2.261,4 5.111,5 133.953,6 7.303,7 0.15,8 4.327,9 4.415,10 3.866,11 3.833,12 5.436,13 3.826,14 4.924,15 5.063,16 4.379,17 4.308,18 5.992,19 4.306,20 5.295,21 5.406,22 4.691,23 4.63,24 6.501,25 4.625,26 5.638,27 5.806,28 4.689,29 4.786,30 6.867,31 4.723,32 5.709,33 5.947,34 4.541,35 4.741,36 6.8,37 4.625,38 5.534,39 5.78,40 4.348,41 4.502,42 6.597,43 4.408,44 5.243,45 5.45,46 4.207,47 4.247,48 6.503,49 4.187,50 4.969,51 5.176,52 3.987,53 4.082,54 6.101,55 4.009,56 0.113,57 0.875,58 14.626,59 7.264,60 22.526,61 8.613,62 0.441,63 1.498,64 29.242,65 12.469,66 63.142,67 15.292,68 0.72,69 2.137,70 41.995,71 17.59,72 95.803,73 20.938,74 1.654,75 2.808,76 64.679,77 23.412,78 250.922,79 29.35,80 1.648,81 2.945,82 73.113,83 25.237,84 213.616,85 34.504,86 1.322,87 2.386,88 62.923,89 20.263,90 181.275,91 27.463,92 1.548,93 1.76,94 46.75,95 14.688,96 187.758,97 19.064,98 0.733,99 1.425,100 33.782,101 12.051,102 83.088,103 15.85,104 105,105 67,106 0.222,107 0.577,108 0.749,109 0.808,110 0.845,111 0.85,112 3.617,113 0.903,114 -3.49,115 -3.47,116 -3.31,121 41.2,122 4,123 3,125 2,126 2,132 3,137 3,138 1,140 2,144 3,145 1,146 2,158 1,160 1,176 10,179 1,180 12,185 5,187 14,191 1,192 13,195 1,197 9,200 23,205 2,206 10,209 2,210 1,211 5,214 19,218 2,219 14,222 3,224 6,227 14,231 1,232 12,239 12,243 4,244 8,247 2,249 2,251 9,255 2,256 8,261 2,264 10,269 4,274 2,277 6,281 1854,282 23.085,283 23.085,284 23.085,285 23.085,286 23.085,287 21.594,288 31.144,289 12.22,290 23.655,291 19.42,292 19.42,293 19.42,294 19.42,295 19.42,296 16.798,297 39.682,298 5.458,299 20.204,300 4.685,301 2.438,302 1.354,303 0.982,304 0.743,305 0.714,306 4.307,312 1,313 914,314 4.583,318 362.978,322 324.596,325 1.92,326 67.209,329 1,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.98,337 80,338 422,339 5.293,340 4.527,341 9.377,342 5.253,343 4.275,344 4.352,345 1.674,346 20.327,347 4.182,348 4.683,349 3.92,350 8.411,351 4.604,352 3.638,353 4.044,354 1.277,355 15.786,356 3.507,357 4.418,358 3.707,359 7.382,360 4.05,361 3.081,362 3.855,363 0.86,364 11.695,365 2.982,366 4.237,367 3.516,368 6.512,369 3.918,370 2.939,371 3.567,372 0.86,373 10.179,374 2.876,375 3.985,376 3.211,377 6.236,378 3.808,379 2.841,380 3.175,381 0.86,382 9.326,383 2.744,384 3.826,385 2.913,386 6.086,387 3.445,388 2.483,389 3.057,391 8.321,392 2.369,393 3.452,394 2.803,395 5.937,396 3.166,397 2.193,398 2.571,400 7.694,401 2.142,402 3.295,403 2.593,404 5.683,405 3.076,406 2.095,407 2.368,409 6.617,410 2.023,411 3.133,412 2.496,413 5.04,414 2.823,415 1.849,416 2.153,418 5.514,419 1.774,420 2.919,421 2.186,422 4.56,423 2.523,424 1.613,425 2.058,427 4.407,428 1.461,429 2.911,430 1.761,431 4.442,432 2.404,433 1.45,434 1.973,436 4.008,437 1.37,438 2.274,439 1.656,440 4.311,441 2.06,442 1.077,443 1.184,445 3.136,446 1.049,447 2.091,448 1.242,449 4,450 1.583,451 0.678,452 0.794,454 1.533,455 0.605,456 1.884,457 1.042,458 3.877,459 1.488,460 0.536,461 0.626,463 1.236,464 0.504,465 1.631,466 0.934,467 3.664,468 1.43,469 0.413,470 0.513,472 0.999,473 0.409,474 16.667,475 0.463,476 1.578,477 0.044,478 37.5,479 1.042,480 14.5,481 0.403,482 23,483 0.639,484 48.865,485 1.357,486 40.933,487 0.602,488 35.89,489 0.997,490 6.901,491 0.192,492 9.865,493 0.274,494 0.26,495 0.15,496 0.24,501 0.819,502 1.188,503 0.797,504 1.159,505 0.782,506 1.004,507 0.867,508 0.912,509 0.639,510 0.874,511 0.66,512 0.73,513 1.097,514 1.235,515 0.963,516 1.206,517 1.04,518 1.077,519 1.17,520 1.146,521 1.202,522 1.152,523 1.298,524 1.179,525 0.803,526 1.006,527 0.954,528 1.015,529 0.914,530 1.02,531 1.078,532 0.883,533 0.934,534 0.875,535 1.322,536 0.87,537 1.189,538 0.836,539 1.037,540 0.838,541 1.097,542 0.89,543 0.932,544 1.032,545 0.954,546 1.028,547 0.967,548 1.001,549 12,550 0.33,551 9.778,552 5.875,553 5.369,554 2.431,555 1.4,556 0.938,557 0.574,558 0.465,559 16546,560 44432,561 1.988,562 47.1,563 9,564 12,567 2,569 9,572 1.777,573 1.763,574 3.444,575 0.148,582 95.342,583 1.402,584 3.649,585 4.734,586 5.105,587 5.344,588 5.374,589 2.973,590 4.385,591 5.138,592 3.642,593 2294.35,594 9.048,595 33305,600 413.947,601 1.922,602 5.021,603 0.3,604 0.011,605 0.146,606 0.068,607 0.067,608 0.036,609 0.025,610 0.02,611 0.014,612 0.015,613 0.701,614 0.5,615 0.75,616 0.889,617 190.762,618 -0.059,619 -0.009,620 0.043,621 0.003,622 -0.114,623 0.04,624 0.016,625 0.187,626 0.271,627 0.213,628 0.043,629 0.289,630 -0.047,631 -0.13,632 -0.04,633 -0.123,634 -0.027,635 -0.087,636 -0.053,637 -0.126,638 -0.222,639 -0.146,640 -0.045,641 -0.212,642 0.081,643 -0.049,644 0.032,645 -0.047,646 0.06,647 -0.024,648 -0.063,649 0.046,650 0.09,651 0.062,652 -0.108,653 0.105,654 0.068,655 0.111,656 0.011,657 0.1,658 0.112,659 0.051,660 0.029,661 -0.043,662 0.026,663 -0.038,664 0.016,665 -0.012,666 3.112,667 6.408,668 0.667,669 36.111,670 1.011,671 1.122,672 2.263,673 5.121,674 0.644,675 3.714,676 4.22,677 4.635,678 4.934,679 5.257,680 5.46,681 5.645,682 5.844,683 6.073,684 6.221,685 6.784,686 0.62,687 496.6,688 3.714,689 5.371,690 6.315,691 7.292,692 8.263,693 9.247,694 10.229,695 11.219,696 12.207,697 13.201,715 3,720 3,722 6,739 2,741 68,743 11,744 1,745 40,747 72,748 28,749 6,750 3,751 3,752 8,756 5,757 11,763 4,764 2,766 2,767 3,768 3,770 3,772 14,773 14,774 3,777 5,782 2,784 3,786 5,793 32,794 8,795 2,796 8,808 0.4,809 8,812 2,829 5,833 3,841 1,846 1,849 5,850 1,857 2,858 1,859 2,864 6,868 36,875 2,876 3,878 4,882 5,893 11.8,894 2,896 2,897 1,898 3,901 20.417,902 14.15,903 7.486,904 3.968,907 2.162,908 1.241,909 0.87,910 5.45,911 11.132,912 3.892,913 4.516,914 5.089,915 5.558,916 6.069,917 6.383,918 6.715,919 7.053,920 7.466,921 7.779,922 0.875,923 87,924 13.737,926 6.627,927 0.026,929 7.947,931 25.314,933 22.399,936 2.447,937 88.083,941 353.133,942 161.198,945 179.656,948 161.198,949 532.789,951 57.067,952 7.604,953 142.224,954 84.101,955 49.858,957 353.133,959 353.133,960 161.198,961 179.656,964 247.193,965 189.229,966 96.367,968 42.904,969 79.378,970 38.916,972 353.133,973 179.656,974 161.198,977 353.133,978 47.273,979 113.924,981 179.656,982 353.133,983 179.656,984 161.198,986 0.628,987 0.408,988 0.208,989 0.112,990 38,991 18,992 0.042,993 3,994 3,995 1.25,996 4.067,997 401.638,998 0.25,999 24,1000 182.117,1005 25.218,1006 7.78,1007 3.07,1009 179.656,1010 5.145,1015 1.595,1017 85.367,1018 693.987,1019 48,1024 26.643,1026 4.749,1028 -0.384,1031 68.756,1032 76.318,1034 0.23,1035 0.599,1036 0.778,1037 0.839,1038 0.878,1039 0.883,1040 5.286,1041 2.095,1042 6.463,1043 7.694,1044 4.905,1045 5.204,1046 2.661,1047 7.572,1048 4.837,1049 6.588,1050 1.849,1051 8.245,1052 6.617,1053 5.13,1054 5.4,1056 9.424,1057 5.039,1058 8.012,1059 1.613,1060 10.163,1061 5.514,1062 6.907,1063 7.424,1064 3.232,1065 12.686,1066 6.788,1067 9.475,1068 1.45,1069 12.168,1070 4.407,1071 7.898,1072 8.326,1074 15.335,1075 7.757,1076 10.975,1077 1.077,1078 14.231,1079 4.008,1080 9.348,1081 9.96,1082 4.029,1083 18.363,1084 9.185,1085 12.5,1086 0.678,1087 16.334,1088 3.136,1089 10.613,1090 11.144,1092 21.252,1093 10.428,1094 14.048,1095 0.536,1096 18.467,1097 1.533,1098 12.011,1099 12.65,1100 4.946,1101 24.246,1102 11.806,1103 4.275,1104 0.413,1105 20.621,1106 1.236,1107 13.375,1108 13.961,1110 27.209,1111 13.149,1112 3.638,1113 20.327,1114 22.792,1115 0.999,1116 14.78,1117 15.42,1118 5.919,1119 30.204,1120 14.534,1121 3.081,1122 15.786,1123 24.975,1124 4.352,1125 16.184,1126 16.792,1128 33.193,1129 15.918,1130 2.939,1131 11.695,1132 27.167,1133 4.044,1134 17.602,1135 18.235,1136 6.919,1137 36.192,1138 17.317,1139 2.841,1140 10.179,1141 29.367,1142 3.855,1143 19.025,1144 19.639,1146 39.192,1147 18.72,1148 2.483,1149 9.326,1150 31.573,1151 3.567,1152 20.455,1153 21.078,1154 7.932,1155 42.196,1156 20.13,1157 2.193,1158 8.321,1159 33.783,1160 3.175,1161 21.888,1162 22.5,1164 45.201,1165 21.543,1166 15916,1167 26216,1168 24.731,1169 43.818,1170 65.076,1171 67.334,1172 70.892,1173 63.592,1174 63.591,1175 74.023,1176 11.064,1177 223.953,1178 61.162,1179 6.293,1180 6.527,1181 8.93,1182 6.355,1183 6.275,1184 7.352,1185 3.349,1186 31.384,1187 6.182,1188 24.514,1189 1.627,1190 1.683,1191 1.772,1192 1.59,1193 1.59,1194 1.851,1195 0.277,1196 5.599,1197 1.529,1198 4.113,1199 4.126,1200 4.063,1201 4.017,1202 7.433,1203 4.024,1204 3.952,1205 3.962,1206 3.91,1207 3.871,1208 7.426,1209 3.877,1210 3.804,1211 3.817,1212 3.754,1213 3.69,1214 6.457,1215 3.701,1216 3.586,1217 3.615,1218 3.498,1219 3.458,1220 6.432,1221 3.46,1222 3.433,1223 3.482,1224 3.311,1225 3.28,1226 4.957,1227 3.277,1228 3.291,1229 3.343,1230 3.164,1231 3.104,1232 4.766,1233 3.11,1234 3.247,1235 3.314,1236 3.068,1237 3.04,1238 4.498,1239 3.033,1240 3.214,1241 3.275,1242 3.051,1243 2.954,1244 4.475,1245 2.961,1246 0.132,1247 0.113,1248 0.234,1249 0.131,1250 0.107,1251 5.293,1252 0.109,1253 4.527,1254 0.042,1255 9.377,1256 0.508,1257 5.253,1258 0.105,1259 4.275,1260 4.352,1261 1.674,1262 20.327,1263 4.182,1264 2.04,1265 2.024,1266 2.151,1267 2.156,1268 1.545,1269 2.152,1270 1.917,1271 1.906,1272 2,1273 2.021,1274 1.19,1275 2.012,1276 1.762,1277 1.744,1278 1.911,1279 1.903,1280 1.106,1281 1.901,1282 1.559,1283 1.527,1284 1.737,1285 1.725,1286 0.993,1287 1.727,1288 1.42,1289 1.369,1290 1.69,1291 1.617,1292 0.848,1293 1.641,1294 1.252,1295 1.201,1296 1.576,1297 1.524,1298 0.7,1299 1.54,1300 1.205,1301 1.143,1302 1.571,1303 1.506,1304 0.597,1305 1.528,1306 1.191,1307 1.115,1308 1.53,1309 1.436,1310 0.574,1311 1.466,1312 4.394,1314 5.855,1316 7.546,1318 9.351,1320 11.221,1322 10.078,1327 24.263,1328 0.331,1330 22.698,1334 -7.035,1340 42.147,1341 95.342,1342 248.134,1343 321.908,1344 347.153,1345 363.418,1346 365.418,1347 116.544,1348 8.97,1349 115.43,1350 115.43,1351 30,1352 13.665,1353 3.585,1354 3.17,1355 54.454,1356 153,1357 170,1358 0.189,1359 250.94,1360 469.46,1361 604.053,1362 99489,1364 26.311,1365 0.731,1366 0.595,1367 26.311,1368 21.429,1369 16.766,1370 0.419,1371 0.301,1372 11.84,1373 15.989,1374 11.318,1375 9.327,1376 16.766,1377 12.037,1378 17.202,1379 0.257,1380 0.165,1381 17.202,1382 11.085,1383 16.352,1384 0.16,1385 0.09,1386 16.352,1387 9.148,1388 12.997,1389 0.094,1390 0.048,1391 12.997,1392 6.587,1393 10.91,1394 0.057,1395 0.025,1396 10.91,1397 4.768,1398 0.289,1399 106.559,1400 0.201,1401 31.906,1402 0.543,1403 214,1404 632.713,1405 238.801,1406 587.262,1407 797.68,1408 546,1409 276,1410 590.97,1411 303.463,1412 593.748,1413 892.09,1414 554,1415 9}
{0 CHEMBL284028,1 2.059,2 5.714,3 3.166,4 10.026,5 51.075,6 12.836,7 0.733,8 3.101,9 3.145,10 3.074,11 2.708,12 4.526,13 2.744,14 3.478,15 3.53,16 3.529,17 3.066,18 5.034,19 3.091,20 3.703,21 3.785,22 3.772,23 3.146,24 5.407,25 3.141,26 3.497,27 3.608,28 3.298,29 2.811,30 5,31 2.806,32 3.166,33 3.266,34 3.085,35 2.465,36 4.733,37 2.467,38 2.867,39 2.954,40 2.891,41 2.037,42 4.657,43 2.046,44 2.342,45 2.476,46 2.256,47 1.416,48 4.157,49 1.335,50 1.219,51 1.33,52 0.403,53 0.664,54 2.222,55 0.454,56 0.208,57 0.247,58 1.009,59 1.234,60 24.901,61 0.799,62 0.27,63 0.367,64 1.09,65 1.726,66 26.634,67 1.358,68 0.46,69 0.418,70 8.789,71 2.581,72 48.833,73 1.779,74 0.385,75 0.306,76 5.75,77 2.292,78 40.32,79 1.526,80 0.299,81 0.186,82 3.573,83 1.832,84 34.999,85 1.593,86 0.3,87 0.11,88 4.016,89 1.58,90 38.137,91 1.276,92 0.202,93 0.049,94 6.775,95 1.17,96 23.09,97 1.135,98 0.05,99 0.006,100 3.708,101 0.367,102 4.82,103 0.318,104 17,105 22,106 0.446,107 0.687,108 0.687,109 0.687,110 0.687,111 0.687,112 2.736,113 0.876,114 -3.77,115 -3.73,116 -3.55,121 44.4,144 2,146 2,148 2,149 2,180 2,183 2,187 2,191 1,192 2,195 2,196 1,200 4,206 2,211 2,219 2,224 2,237 2,249 2,281 128,282 8.947,283 8.947,284 8.947,285 8.947,286 8.947,287 7.498,288 5.087,289 5.031,290 9.375,291 7.357,292 7.357,293 7.357,294 7.357,295 7.357,296 5.239,297 2.551,298 2.39,299 8.227,300 2.111,301 1,302 1,303 1,304 1,305 1,306 3.369,308 2,312 1,313 164,314 1.732,318 58.289,322 50.063,325 0.898,326 21.519,329 1,330 0.83,331 1,332 0.4,334 1,335 1,336 0.75,337 31.667,338 80,339 4.53,340 3.36,341 6.354,342 4.007,343 3.073,344 4.468,346 9.765,347 2.866,348 4.021,349 3.053,350 5.866,351 3.531,352 2.651,353 3.568,355 7.935,356 2.309,357 3.59,358 2.446,359 5.562,360 3.092,361 2.192,362 3,364 6.858,365 1.857,366 3.259,367 2.203,368 4.732,369 2.722,370 1.802,371 2.607,373 5.215,374 1.643,375 2.601,376 1.801,377 4,378 2.097,379 1.247,380 1.635,382 3.27,383 1.02,384 1.695,385 1.069,386 3,387 1.223,388 0.445,389 0.528,391 1.056,392 0.304,393 1.142,394 0.11,395 2.789,396 0.622,397 -0.274,398 -0.372,400 -0.753,401 -0.22,402 0.773,403 0.048,404 2.524,405 0.311,406 -0.445,407 -0.528,409 -1.056,410 -0.304,411 0.559,412 -0.353,413 2,414 0.06,415 -0.825,416 -1.05,418 -2.182,419 -0.605,420 0.045,421 -0.966,422 1.438,423 -0.451,424 -1.247,425 -1.635,427 -3.27,428 -1.02,429 -0.163,430 -0.976,431 1.345,432 -0.51,433 -1.377,434 -1.697,436 -3.746,437 -1.049,438 -0.179,439 -1.23,440 1.268,441 -0.733,442 -1.44,443 -1.919,445 -4.628,446 -1.295,447 -0.373,448 -1.726,449 1.123,450 -0.902,451 -1.802,452 -2.607,454 -5.215,455 -1.643,456 -0.5,457 -2,458 1,459 -1,460 -2,461 -3,463 -6.437,464 -1.863,465 -0.5,466 -2,467 1,468 -1.07,469 -2,470 -3,472 -6.814,473 -2,474 6.895,475 0.493,476 0.511,477 0.036,478 20.5,479 1.464,480 11,481 0.786,482 9.5,483 0.679,484 8.008,485 0.572,486 14.705,487 0.817,488 11.994,489 0.857,490 4.024,491 0.287,492 2.552,493 0.182,494 0.304,496 0.435,501 1.033,502 1.124,503 0.511,504 0.538,505 1.113,506 0.515,507 0.668,508 1.31,509 0.563,510 0.717,511 0.614,512 0.698,513 0.814,514 0.927,515 0.936,516 0.8,517 0.686,518 0.911,519 1.252,520 0.986,521 1.19,522 1.133,523 1.225,524 1.226,525 1.171,526 0.992,527 0.86,528 1.089,529 1.336,530 1.084,531 1.239,532 0.855,533 1.063,534 1.241,535 1.517,536 1.114,537 0.721,538 0.474,539 2.224,540 2.162,541 0.664,542 1.756,543 2.699,544 0.12,545 6.26,546 3.67,547 1.877,548 3.514,549 4,551 2.222,552 1,553 1.209,554 0.333,555 0.242,559 1141,560 6248,561 1.952,562 22.2,564 2,567 2,572 1.513,573 1.75,574 2.59,575 0.686,582 37.059,583 2.059,584 3.17,585 3.17,586 3.17,587 3.17,588 3.17,589 1.95,590 1.95,591 3.784,592 2.564,593 233.359,594 6.323,595 1776.71,597 1,600 75.059,601 1.557,602 3.689,603 0.267,605 0.101,606 0.045,607 0.086,608 0.033,609 0.04,613 0.573,614 0.67,615 1,616 0.788,617 51.471,618 -0.293,619 -0.075,620 -0.057,621 0.182,622 -0.337,623 0.138,624 0.022,625 -0.23,626 -0.006,627 -0.004,628 0.04,629 -0.045,630 0.055,631 0.128,632 -0.026,633 0.077,634 0.129,635 -0.097,636 -0.323,637 -0.012,638 -0.24,639 -0.18,640 -0.307,641 -0.245,642 -0.092,643 -0.173,644 0.151,645 -0.035,646 -0.176,647 0.053,648 0.155,649 -0.194,650 0.275,651 0.003,652 0.031,653 0.182,654 0.69,655 0.067,656 -0.129,657 -0.674,658 0.691,659 -0.047,660 -1.37,661 0.239,662 -2.989,663 -1.937,664 -0.99,665 -1.727,666 2.198,667 3.078,668 0.714,669 6.204,670 1.071,671 1.119,672 2.541,673 6.455,674 0.787,675 2.773,676 3.135,677 3.367,678 3.555,679 3.85,680 3.807,681 3.714,682 3.611,683 3.296,684 2.197,685 3.459,686 0.788,687 231.04,688 2.773,689 4.317,690 5.165,691 6.047,692 6.919,693 7.801,694 8.679,695 9.561,696 10.441,697 11.323,698 11.1,708 2,714 2,715 2,716 2,720 4,722 11,738 2,740 2,741 18,743 11,744 1,745 15,747 19,748 8,749 8,750 4,751 2,756 2,757 3,758 2,772 8,793 4,794 4,795 2,796 6,797 2,802 2,808 0.5,809 2,819 1,829 2,833 1,859 1,865 2,868 14,875 2,892 2,893 11.1,895 2,901 8,902 3.252,903 3,904 0.892,907 2.38,908 1.413,909 0.904,910 2.286,911 8.135,912 3.068,913 3.795,914 4.416,915 5.03,916 5.703,917 5.987,918 6.249,919 6.553,920 6.69,921 5.732,922 0.75,923 22,924 5.09,925 0.002,926 2.222,927 0.026,929 8.373,931 9.019,932 0.001,933 7.176,934 -0.001,936 2.873,937 40.222,938 0.001,941 23.542,942 30.242,943 33.571,944 78.297,945 85.367,948 30.242,949 187.206,950 33.571,953 18.952,954 118.938,955 11.289,957 23.542,958 78.297,959 23.542,960 63.813,961 85.367,962 78.297,964 23.542,965 85.367,968 4.288,969 25.954,970 111.868,972 23.542,973 118.938,974 108.539,977 23.542,978 11.289,979 18.952,981 197.235,982 23.542,983 118.938,984 108.539,986 0.605,987 0.355,988 0.167,989 0.103,990 12,991 6,994 1,995 1.2,996 2.508,997 90.405,998 0.2,999 10,1000 39.303,1005 9.614,1006 3.329,1007 1.682,1008 0.74,1009 118.938,1010 2.927,1011 7.354,1015 -0.427,1017 85.367,1018 251.019,1019 20.5,1031 19.273,1032 20.134,1034 0.494,1035 0.76,1036 0.76,1037 0.76,1038 0.76,1039 0.76,1040 4.301,1041 -0.445,1042 5.198,1043 -0.753,1044 3.807,1045 4.477,1047 6.023,1048 3.592,1049 5.576,1050 -0.825,1051 6.786,1052 -1.056,1053 3.611,1054 4.559,1056 6.917,1057 3.228,1058 6.926,1059 -1.247,1060 8.464,1061 -2.182,1062 5.434,1063 6.84,1065 9.977,1066 5.061,1067 8.309,1068 -1.377,1069 10.188,1070 -3.27,1071 5.943,1072 7.638,1074 11.579,1075 5.406,1076 9.714,1077 -1.44,1078 11.938,1079 -3.746,1080 7.327,1081 9.469,1083 14.185,1084 6.804,1085 11.136,1086 -1.802,1087 13.705,1088 -4.628,1089 8.153,1090 10.612,1092 16.115,1093 7.497,1094 12.571,1095 -2,1096 15.484,1097 -5.215,1098 9.367,1099 12.253,1101 18.537,1102 8.704,1103 3.073,1104 -2,1105 17.271,1106 -6.437,1107 10.342,1108 13.572,1110 20.634,1111 9.575,1112 2.651,1113 9.765,1114 19.066,1115 -6.814,1116 11.489,1117 15.128,1119 22.972,1120 10.693,1121 2.192,1122 7.935,1123 20.866,1124 4.468,1125 12.534,1126 16.537,1128 25.156,1129 11.654,1130 1.802,1131 6.858,1132 22.671,1133 3.568,1134 13.656,1135 18.056,1137 27.458,1138 12.733,1139 1.247,1140 5.215,1141 24.48,1142 3,1143 14.735,1144 19.508,1146 29.687,1147 13.739,1148 0.445,1149 3.27,1150 26.292,1151 2.607,1152 15.849,1153 21.012,1155 31.973,1156 14.801,1157 -0.274,1158 1.056,1159 28.108,1160 1.635,1161 16.946,1162 22.487,1164 34.225,1165 15.829,1166 1225,1167 2928,1168 9.364,1169 14.159,1170 22.992,1171 23.992,1172 23.827,1173 22.946,1174 22.82,1175 31.614,1177 68.198,1178 19.997,1179 5.03,1180 5.36,1181 5.354,1182 5.077,1183 5.073,1184 7.468,1186 16.579,1187 4.866,1188 8.051,1189 1.533,1190 1.599,1191 1.588,1192 1.53,1193 1.521,1194 2.108,1196 4.547,1197 1.333,1198 4.044,1199 4.067,1200 4.17,1201 3.953,1202 6.538,1203 3.962,1204 3.483,1205 3.488,1206 3.716,1207 3.326,1208 6.404,1209 3.35,1210 2.977,1211 3.026,1212 3.408,1213 2.838,1214 5.09,1215 2.835,1216 2.795,1217 2.786,1218 3.037,1219 2.664,1220 4.648,1221 2.668,1222 2.596,1223 2.626,1224 2.777,1225 2.132,1226 4.496,1227 2.206,1228 2.016,1229 2.095,1230 2.335,1231 1.667,1232 3.977,1233 1.643,1234 1.928,1235 2.02,1236 2.039,1237 1.448,1238 3.583,1239 1.459,1240 1.645,1241 1.636,1242 1.748,1243 1.356,1244 3.151,1245 1.355,1246 0.302,1247 0.224,1248 0.424,1249 0.267,1250 0.205,1251 4.53,1252 0.298,1253 3.36,1255 6.354,1256 0.651,1257 4.007,1258 0.191,1259 3.073,1260 4.468,1262 9.765,1263 2.866,1264 1.972,1265 1.953,1266 1.992,1267 2.087,1268 1.113,1269 2.066,1270 1.36,1271 1.352,1272 1.378,1273 1.551,1274 0.34,1275 1.517,1276 0.924,1277 0.878,1278 1.112,1279 1.126,1280 0.171,1281 1.119,1282 0.658,1283 0.667,1284 0.702,1285 0.888,1287 0.837,1288 0.342,1289 0.299,1290 0.677,1291 0.861,1293 0.835,1296 0.242,1297 0.258,1299 0.27,1302 0.059,1303 0.23,1305 0.215,1308 0.041,1312 3.434,1314 4.779,1316 6.326,1318 7.968,1320 9.657,1323 11.472,1327 18.156,1340 14.181,1341 37.059,1342 57.059,1343 57.059,1344 57.059,1345 57.059,1346 57.059,1347 21.568,1348 5.756,1349 66.24,1350 66.24,1351 12,1352 11.858,1353 3.585,1354 2.7,1355 21.235,1356 31,1357 20,1358 0.395,1359 96.332,1360 157.24,1361 226.811,1362 1677,1363 11.1,1364 10.293,1365 0.735,1366 0.587,1367 11.293,1368 8.211,1369 6.575,1370 0.438,1371 0.292,1372 3.624,1373 5.753,1374 3.511,1375 2.862,1376 7.153,1377 4.38,1378 6.372,1379 0.29,1380 0.156,1381 7.114,1382 3.44,1383 5.308,1384 0.19,1385 0.085,1386 6.196,1387 2.392,1388 3.802,1389 0.112,1390 0.04,1391 4.24,1392 1.349,1393 3.348,1394 0.073,1395 0.021,1396 3.812,1397 0.957,1398 0.57,1399 47.774,1400 0.327,1401 13.694,1402 1.223,1403 74,1404 291.996,1405 113.575,1406 341.008,1407 434.72,1408 312,1409 87,1410 269.42,1411 122.823,1412 290.377,1413 427.12,1414 272,1415 4}
{0 CHEMBL284369,1 1.354,2 12.125,3 4.589,4 21.064,5 97.604,6 6.121,7 0.231,8 4.046,9 4.185,10 3.446,11 3.549,12 4.934,13 3.49,14 4.667,15 4.878,16 3.791,17 3.976,18 5.536,19 3.875,20 4.958,21 5.225,22 3.78,23 4.116,24 5.674,25 3.973,26 4.955,27 5.215,28 3.707,29 4.083,30 5.734,31 3.922,32 4.951,33 5.245,34 3.591,35 3.94,36 5.739,37 3.777,38 4.712,39 4.98,40 3.458,41 3.738,42 5.565,43 3.605,44 4.533,45 4.776,46 3.376,47 3.618,48 5.457,49 3.502,50 4.493,51 4.738,52 3.26,53 3.517,54 5.487,55 3.397,56 0.057,57 0.756,58 13.48,59 5.415,60 6.865,61 7.779,62 0.376,63 1.249,64 25.083,65 9.082,66 31.91,67 13.485,68 0.289,69 1.501,70 32.649,71 11.589,72 25.197,73 17.29,74 0.253,75 1.455,76 32.396,77 11.899,78 32.15,79 17.439,80 0.335,81 1.337,82 32.376,83 10.562,84 38.362,85 15.945,86 0.367,87 1.054,88 25.984,89 8.321,90 32.943,91 12.285,92 0.242,93 0.926,94 21.863,95 7.021,96 26.114,97 10.389,98 0.377,99 0.849,100 21.308,101 6.448,102 40.857,103 9.435,104 21,105 35,106 0.229,107 0.497,108 0.745,109 0.875,110 0.888,111 0.888,112 3.228,113 1.102,114 -4.4,115 -4.33,116 -4.09,121 37,122 2,123 6,124 1,127 3,129 1,144 3,145 2,146 1,161 1,176 11,179 1,180 6,183 2,185 1,187 13,192 4,197 1,200 10,206 8,211 3,214 6,219 7,224 3,227 3,231 1,232 4,237 3,239 4,244 4,249 2,251 5,255 1,256 3,259 1,264 6,277 8,281 868,282 16.585,283 16.585,284 16.585,285 16.585,286 16.585,287 15.731,288 21.27,289 10.13,290 16.904,291 12.779,292 12.779,293 12.779,294 12.779,295 12.779,296 11.381,297 25.418,298 4.743,299 13.238,300 4.401,301 2.816,302 1.352,303 0.584,304 0.509,305 0.509,306 3.912,311 1,312 1,313 620,314 3.742,317 96.256,318 55.881,320 78.093,321 83.256,324 117.245,325 1.885,326 17.011,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 51,338 291,339 4.469,340 3.669,341 6.875,342 4.267,343 3.284,344 4.007,345 2.186,346 11.519,347 3.232,348 3.907,349 3.517,350 6.012,351 3.624,352 2.681,353 3.141,354 0.8,355 8.537,356 2.527,357 3.653,358 2.857,359 5.431,360 3.361,361 2.419,362 2.798,363 0.366,364 7.162,365 2.255,366 3.327,367 2.497,368 5.12,369 2.985,370 2.02,371 2.516,373 5.785,374 1.937,375 3.048,376 2.134,377 4.796,378 2.842,379 1.853,380 2.168,382 5.418,383 1.83,384 2.797,385 1.875,386 4.436,387 2.756,388 1.757,389 1.795,391 3.902,392 1.749,393 2.462,394 1.488,395 3.792,396 2.306,397 1.335,398 1.458,400 3.49,401 1.292,402 2.286,403 1.461,404 3.772,405 2.213,406 1.225,407 1.271,409 2.729,410 1.205,411 2.254,412 1.129,413 3.265,414 2.076,415 1.084,416 1.231,418 2.308,419 1.074,420 1.674,421 0.894,422 3.127,423 1.548,424 0.577,425 0.616,427 1.222,428 0.558,429 1.571,430 0.764,431 2.811,432 1.485,433 0.507,434 0.527,436 0.894,437 0.493,438 1.33,439 0.603,440 2.606,441 1.167,442 0.195,443 0.21,445 0.342,446 0.188,447 0.956,448 0.281,449 2.392,450 0.766,451 -0.184,452 -0.192,454 -0.358,455 -0.174,456 0.814,457 -0.035,458 2.314,459 0.623,460 -0.382,461 -0.443,463 -0.802,464 -0.378,465 0.595,466 -0.423,467 2.092,468 0.171,469 -0.826,470 -0.992,472 -1.876,473 -0.82,474 11.467,475 0.478,476 0.448,477 0.019,478 23,479 0.958,480 8,481 0.333,482 15,483 0.625,484 24.93,485 1.039,486 28.133,487 0.521,488 14.077,489 0.587,490 3.781,491 0.158,492 7.943,493 0.331,494 0.116,496 0.297,501 0.791,502 1.472,503 0.986,504 1.297,505 0.588,506 1.179,507 0.63,508 1.153,509 0.998,510 1.103,511 0.389,512 1.084,513 0.976,514 0.968,515 0.974,516 0.962,517 0.668,518 0.96,519 0.948,520 1.167,521 1.022,522 1.156,523 0.92,524 1.11,525 1.23,526 0.952,527 0.923,528 0.913,529 1.269,530 0.887,531 1.642,532 0.897,533 1.028,534 0.881,535 1.555,536 0.892,537 1.705,538 1.143,539 1.135,540 1.087,541 1.98,542 1.055,543 2.11,544 0.902,545 1.251,546 0.939,547 2.708,548 0.999,549 4,550 0.077,551 2.222,552 1.576,553 1.103,554 0.545,555 0.416,556 0.291,557 0.176,558 0.115,559 6745,560 11986,561 2.064,562 55.6,563 9,564 10,567 1,569 10,572 1.663,573 1.946,574 3.524,575 -0.383,582 73.119,583 1.354,584 2.938,585 4.403,586 5.171,587 5.245,588 5.245,589 3.074,590 4.335,591 4.545,592 3.675,593 1014.34,594 7.822,595 12311.4,597 1,600 310.764,601 1.347,602 4.522,603 0.154,604 0.006,605 0.063,606 0.046,607 0.037,608 0.021,609 0.018,610 0.014,611 0.01,612 0.008,613 0.376,614 0.33,615 1,616 2.202,617 116.399,618 0.013,619 -0.145,620 0.063,621 -0.053,622 0.008,623 0.001,624 0.297,625 0.027,626 0.029,627 -0.013,628 0.243,629 -0.02,630 -0.058,631 0.068,632 0.014,633 0.044,634 0.009,635 0.042,636 -0.016,637 -0.165,638 -0.043,639 -0.13,640 0.019,641 -0.096,642 -0.034,643 -0.027,644 0.073,645 0.015,646 -0.028,647 0.051,648 -0.059,649 0.047,650 0.018,651 0.059,652 -0.11,653 0.047,654 -0.129,655 -0.134,656 -0.073,657 -0.108,658 -0.179,659 -0.087,660 -0.124,661 0.079,662 -0.147,663 -0.011,664 -0.189,665 -0.077,666 1.998,667 4.93,668 0.5,669 25.375,670 0.986,671 1.134,672 3.173,673 10.065,674 0.622,675 3.296,676 3.584,677 3.871,678 4.174,679 4.369,680 4.533,681 4.7,682 4.779,683 4.771,684 4.796,685 6.737,686 0.571,687 330.52,688 3.296,689 4.812,690 5.659,691 6.538,692 7.418,693 8.315,694 9.212,695 10.121,696 11.029,697 11.945,698 3.7,701 1,705 1,715 3,720 3,722 6,737 1,741 54,743 7,744 1,745 26,747 56,748 20,749 6,750 3,751 3,756 3,757 6,763 2,767 3,768 1,770 7,772 7,773 13,774 1,777 1,782 1,786 1,790 1,793 30,794 4,795 1,796 4,802 2,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 2,868 24,876 9,877 1,878 1,880 2,881 1,893 3.7,896 1,898 1,901 12.333,902 9.95,903 5.528,904 3.989,907 1.291,908 1.179,909 0.941,910 6.043,911 8.501,912 3.434,913 3.882,914 4.334,915 4.847,916 5.315,917 5.574,918 5.92,919 6.196,920 6.233,921 6.345,922 1,923 34,924 8.964,926 3.725,927 0.026,929 7.493,931 17.966,933 15.141,936 1.993,937 47.833,938 0.001,939 1,940 1,941 341.362,942 85.981,943 21.135,945 36.145,948 85.981,949 377.507,950 21.135,951 17.65,952 39.535,953 28.429,954 25.145,955 25.739,956 6.763,957 341.362,959 341.362,960 107.116,961 36.145,964 223.651,965 153.856,968 60.31,969 46.806,972 341.362,973 57.28,974 85.981,977 341.362,978 39.901,979 49.203,980 18.011,981 36.145,982 341.362,983 57.28,984 85.981,986 0.559,987 0.326,988 0.18,989 0.095,990 16,991 7,992 0.143,993 8,994 2,995 1.333,996 3.731,997 185.867,998 0.333,999 12,1000 108.039,1005 17.597,1006 8.241,1007 4.075,1009 57.28,1010 6.175,1015 3.495,1017 18.011,1018 484.622,1019 30,1024 11.93,1028 -0.331,1031 53.229,1032 61.228,1034 0.235,1035 0.511,1036 0.765,1037 0.899,1038 0.911,1039 0.911,1040 4.677,1041 1.225,1042 5.624,1043 3.49,1044 4.263,1045 4.564,1046 2.351,1047 6.438,1048 4.197,1049 5.809,1050 1.084,1051 7.175,1052 2.729,1053 3.761,1054 4.27,1055 1.847,1056 7.357,1057 3.657,1058 7.084,1059 0.577,1060 8.834,1061 2.308,1062 5.838,1063 6.543,1064 3.504,1065 10.505,1066 5.707,1067 8.395,1068 0.507,1069 10.558,1070 1.222,1071 6.236,1072 7.108,1073 3.598,1074 12.334,1075 6.08,1076 9.746,1077 0.195,1078 12.327,1079 0.894,1080 7.742,1081 8.879,1082 4.907,1083 14.998,1084 7.567,1085 11.123,1086 -0.184,1087 14.128,1088 0.342,1089 8.569,1090 9.838,1091 5.29,1092 17.196,1093 8.381,1094 12.522,1095 -0.382,1096 15.952,1097 -0.358,1098 9.857,1099 11.413,1100 6.387,1101 19.706,1102 9.655,1103 3.284,1104 -0.826,1105 17.796,1106 -0.802,1107 10.882,1108 12.57,1109 6.93,1110 22.052,1111 10.673,1112 2.681,1113 11.519,1114 19.654,1115 -1.876,1116 12.092,1117 14.055,1118 7.902,1119 24.514,1120 11.871,1121 2.419,1122 8.537,1123 21.524,1124 4.007,1125 13.205,1126 15.316,1127 8.539,1128 26.917,1129 12.977,1130 2.02,1131 7.162,1132 23.404,1133 3.141,1134 14.391,1135 16.756,1136 9.436,1137 29.365,1138 14.152,1139 1.853,1140 5.785,1141 25.292,1142 2.798,1143 15.543,1144 18.073,1145 10.13,1146 31.791,1147 15.295,1148 1.757,1149 5.418,1150 27.186,1151 2.516,1152 16.723,1153 19.49,1154 10.981,1155 34.235,1156 16.464,1157 1.335,1158 3.902,1159 29.085,1160 2.168,1161 17.893,1162 20.838,1163 11.71,1164 36.671,1165 17.623,1166 6689,1167 9065,1168 17.394,1169 33.58,1170 37.866,1171 38.874,1172 39.645,1173 37.904,1174 37.876,1175 43.474,1176 6.705,1177 106.615,1178 36.68,1179 5.431,1180 5.669,1181 6.828,1182 5.345,1183 5.284,1184 7.007,1185 3.889,1186 18.863,1187 5.232,1188 11.241,1189 1.456,1190 1.495,1191 1.525,1192 1.458,1193 1.457,1194 1.672,1195 0.258,1196 4.101,1197 1.411,1198 4.082,1199 4.116,1200 4.017,1201 4.007,1202 7.435,1203 4.005,1204 3.77,1205 3.836,1206 3.649,1207 3.624,1208 4.814,1209 3.609,1210 3.707,1211 3.757,1212 3.581,1213 3.562,1214 4.394,1215 3.565,1216 3.53,1217 3.6,1218 3.401,1219 3.314,1220 4.251,1221 3.316,1222 3.375,1223 3.455,1224 3.175,1225 3.209,1226 4.135,1227 3.188,1228 3.276,1229 3.332,1230 3.097,1231 3.069,1232 3.996,1233 3.071,1234 3.133,1235 3.211,1236 2.955,1237 2.937,1238 3.872,1239 2.942,1240 2.905,1241 2.981,1242 2.718,1243 2.757,1244 3.632,1245 2.738,1246 0.172,1247 0.141,1248 0.264,1249 0.164,1250 0.126,1251 4.469,1252 0.154,1253 3.669,1254 0.084,1255 6.875,1256 0.443,1257 4.267,1258 0.124,1259 3.284,1260 4.007,1261 2.186,1262 11.519,1263 3.232,1264 1.901,1265 1.883,1266 2.025,1267 1.991,1268 1.353,1269 1.995,1270 1.764,1271 1.698,1272 2.001,1273 1.935,1274 1.278,1275 1.966,1276 1.641,1277 1.575,1278 1.876,1279 1.854,1280 1.216,1281 1.864,1282 1.558,1283 1.494,1284 1.803,1285 1.745,1286 1.072,1287 1.761,1288 1.499,1289 1.423,1290 1.794,1291 1.707,1292 1.034,1293 1.742,1294 1.284,1295 1.213,1296 1.601,1297 1.517,1298 0.826,1299 1.545,1300 1.172,1301 1.111,1302 1.474,1303 1.46,1304 0.64,1305 1.47,1306 0.979,1307 0.91,1308 1.25,1309 1.224,1310 0.457,1311 1.24,1312 3.97,1314 5.263,1315 3.045,1316 6.746,1317 5.476,1318 8.334,1319 7.636,1320 9.988,1322 4.426,1328 9.969,1329 2.851,1330 5.484,1332 1.258,1333 2.578,1340 30.848,1341 73.119,1342 158.678,1343 237.77,1344 279.254,1345 283.254,1346 283.254,1347 39.287,1348 7.21,1349 41.57,1350 41.57,1351 16,1352 12.458,1353 3,1354 2.322,1355 39.647,1356 95,1357 122,1358 0.204,1359 190.309,1360 335.6,1361 456.113,1362 12501,1364 16.941,1365 0.706,1366 0.626,1367 16.941,1368 15.014,1369 11.724,1370 0.451,1371 0.367,1372 9.459,1373 11.354,1374 9.22,1375 7.688,1376 11.724,1377 9.551,1378 9.956,1379 0.284,1380 0.201,1381 9.956,1382 7.033,1383 8.368,1384 0.178,1385 0.118,1386 8.368,1387 5.523,1388 7.113,1389 0.111,1390 0.066,1391 7.113,1392 4.223,1393 5.493,1394 0.07,1395 0.036,1396 5.493,1397 2.811,1398 0.328,1399 72.766,1400 0.24,1401 23.934,1402 0.538,1403 122,1404 289.449,1405 132.889,1406 275.664,1407 381.09,1408 260,1409 143,1410 284.064,1411 152.645,1412 283.593,1413 419.12,1414 269,1415 6.682}
{0 CHEMBL284519,1 1.437,2 8.25,3 2.622,4 6.875,5 78.927,6 6.533,7 0.273,8 3.821,9 3.951,10 3.284,11 3.322,12 4.787,13 3.283,14 4.428,15 4.629,16 3.7,17 3.776,18 5.379,19 3.712,20 4.694,21 4.907,22 3.752,23 3.984,24 5.541,25 3.882,26 4.833,27 5.07,28 3.61,29 4.013,30 5.66,31 3.855,32 4.828,33 5.128,34 3.463,35 3.851,36 5.584,37 3.672,38 4.562,39 4.83,40 3.205,41 3.59,42 5.384,43 3.427,44 4.33,45 4.612,46 3.077,47 3.34,48 5.187,49 3.191,50 4.149,51 4.406,52 2.794,53 3.043,54 5.214,55 2.928,56 0.03,57 0.602,58 10.099,59 4.05,60 6.487,61 5.732,62 0.347,63 1.003,64 19.359,65 6.85,66 30.675,67 10.058,68 0.205,69 1.248,70 25.035,71 9.362,72 24.216,73 13.427,74 0.243,75 1.335,76 28.834,77 10.838,78 35.453,79 15.578,80 0.234,81 1.216,82 28.924,83 10.064,84 34.242,85 15.107,86 0.324,87 0.909,88 22.57,89 7.561,90 31.84,91 10.974,92 0.135,93 0.735,94 17.612,95 5.859,96 20.132,97 8.811,98 0.37,99 0.581,100 15.57,101 3.847,102 39.93,103 5.838,104 23,105 33,106 0.257,107 0.579,108 0.808,109 0.871,110 0.871,111 0.871,112 3.059,113 1.003,114 -3.46,115 -3.44,116 -3.29,121 38.1,122 2,123 2,125 1,126 1,127 2,129 1,144 3,145 2,146 1,161 1,176 8,179 1,180 6,183 2,187 12,192 5,200 11,206 6,211 2,214 6,219 6,224 2,227 5,231 1,232 2,237 2,239 2,244 3,249 3,251 1,255 1,256 1,259 1,281 452,282 13.444,283 13.444,284 13.444,285 13.444,286 13.444,287 12.604,288 20.901,289 7.564,290 13.779,291 10.697,292 10.697,293 10.697,294 10.697,295 10.697,296 9.294,297 25.555,298 3.404,299 11.137,300 3.955,301 2.156,302 0.881,303 0.53,304 0.53,305 0.53,306 3.732,310 1,311 1,312 1,313 350,314 3.391,317 67.22,318 40.156,320 54.37,321 59.37,324 82.942,325 1.3,326 14.885,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 43,338 165,339 4.78,340 3.899,341 7.933,342 4.675,343 3.685,344 4.16,345 2.186,346 14.943,347 3.652,348 3.987,349 3.657,350 6.169,351 3.646,352 2.693,353 3.314,354 0.8,355 8.716,356 2.57,357 3.658,358 2.857,359 5.67,360 3.347,361 2.413,362 2.867,363 0.366,364 7.456,365 2.235,366 3.345,367 2.592,368 5.399,369 3.204,370 2.234,371 2.505,373 6.977,374 2.153,375 3.29,376 2.393,377 4.761,378 2.915,379 1.938,380 2.388,382 5.212,383 1.877,384 2.612,385 1.52,386 4.65,387 2.329,388 1.352,389 1.646,391 4.042,392 1.318,393 2.291,394 1.167,395 4.149,396 2.113,397 1.121,398 1.276,400 2.988,401 1.111,402 1.737,403 1.106,404 3.328,405 1.655,406 0.676,407 0.707,409 1.386,410 0.66,411 1.518,412 0.86,413 2.963,414 1.338,415 0.424,416 0.447,418 0.682,419 0.384,420 1.37,421 0.695,422 2.801,423 1.133,424 0.152,425 0.168,427 0.25,428 0.147,429 0.961,430 0.271,431 2.689,432 0.711,433 -0.269,434 -0.311,436 -0.581,437 -0.26,438 0.613,439 -0.307,440 2.403,441 0.319,442 -0.672,443 -0.762,445 -1.774,446 -0.66,447 0.559,448 -0.631,449 2.304,450 0.17,451 -0.826,452 -1.075,454 -2.622,455 -0.821,456 0.109,457 -0.692,458 2.256,459 -0.086,460 -1.075,461 -1.207,463 -2.942,464 -1.051,465 -0.196,466 -0.984,467 1.954,468 -0.307,469 -1.279,470 -1.42,472 -3.359,473 -1.233,474 9.467,475 0.473,476 0.592,477 0.03,478 21,479 1.05,480 8,481 0.4,482 13,483 0.65,484 19.282,485 0.964,486 22.933,487 0.546,488 13.361,489 0.668,490 3.821,491 0.191,492 5.759,493 0.288,494 0.194,495 0.053,496 0.306,501 0.784,502 1.463,503 0.897,504 1.25,505 0.6,506 1.107,507 0.628,508 0.911,509 0.831,510 0.859,511 0.377,512 0.856,513 0.962,514 1.077,515 1.041,516 1.086,517 0.645,518 1.072,519 0.929,520 1.198,521 1.163,522 1.251,523 0.878,524 1.248,525 0.661,526 0.962,527 0.816,528 0.973,529 0.661,530 0.924,531 1.245,532 0.935,533 1.075,534 0.986,535 0.962,536 1.016,537 0.846,538 1.177,539 0.839,540 1.093,541 1.007,542 0.988,543 2.225,544 0.771,545 1.407,546 0.81,547 3.104,548 0.969,549 5.5,550 0.017,551 3.333,552 2.271,553 1.286,554 0.608,555 0.456,556 0.275,557 0.143,558 0.065,559 3349,560 7454,561 2.036,562 52.4,563 3,564 11,567 1,569 7,572 1.62,573 1.86,574 3.001,575 -0.32,577 1,579 1,582 60.37,583 1.437,584 3.236,585 4.511,586 4.862,587 4.862,588 4.862,589 2.528,590 4.122,591 4.287,592 3.109,593 590.628,594 7.342,595 5770.57,596 1,597 1,599 1,600 226.477,601 1.72,602 4.22,603 0.25,604 0.006,605 0.101,606 0.067,607 0.048,608 0.026,609 0.027,610 0.018,611 0.014,612 0.013,613 0.57,614 0.83,615 1,616 1.445,617 86.815,618 -0.006,619 -0.177,620 0.069,621 -0.066,622 -0.025,624 0.288,625 0.26,626 0.155,627 0.197,628 0.247,629 0.168,630 -0.098,631 0.019,632 -0.077,633 -0.02,634 0.016,635 -0.039,636 -0.095,637 -0.189,638 -0.214,639 -0.208,640 -0.046,641 -0.228,642 0.058,643 -0.062,644 0.124,645 -0.015,646 0.056,647 0.054,648 -0.06,649 -0.03,650 -0.082,651 -0.029,652 -0.111,653 -0.059,654 0.068,655 -0.272,656 0.127,657 -0.139,658 0.029,659 -0.02,660 -0.252,661 0.181,662 -0.296,663 0.013,664 -0.379,665 -0.129,666 2.078,667 4.346,668 0.6,669 14.58,670 0.993,671 1.133,672 2.232,673 4.981,674 0.632,675 3.135,676 3.526,677 3.871,678 4.19,679 4.419,680 4.543,681 4.718,682 4.787,683 4.727,684 4.682,685 4.746,686 0.589,687 274.4,688 3.135,689 4.71,690 5.602,691 6.532,692 7.455,693 8.397,694 9.334,695 10.281,696 11.225,697 12.176,698 4.8,701 1,705 1,715 3,720 3,722 6,737 1,741 42,743 7,744 1,745 22,747 44,748 16,749 6,750 3,751 3,756 3,757 6,763 2,764 1,766 1,767 3,770 3,772 7,773 9,777 1,782 1,786 1,789 1,790 1,793 22,794 4,795 1,796 4,802 2,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 3,868 20,876 4,877 1,878 1,880 1,881 1,882 1,893 4.8,896 1,898 1,901 10.75,902 8.367,903 4.431,904 2.774,907 1.32,908 1.191,909 0.938,910 3.407,911 8.239,912 3.296,913 3.839,914 4.347,915 4.87,916 5.366,917 5.616,918 5.985,919 6.231,920 6.253,921 6.287,922 0.833,923 34,924 7.426,926 3.159,927 0.026,929 7.613,931 14.62,933 12.53,936 2.113,937 42.25,938 0.001,941 247.193,942 82.133,943 21.135,945 36.145,948 82.133,949 283.338,950 21.135,951 26.047,952 27.291,953 28.429,954 25.145,955 25.739,956 6.763,957 247.193,959 247.193,960 103.268,961 36.145,964 164.795,965 118.543,968 48.066,969 55.202,972 247.193,973 57.28,974 82.133,977 247.193,978 27.658,979 57.6,980 18.011,981 36.145,982 247.193,983 57.28,984 82.133,986 0.591,987 0.365,988 0.194,989 0.108,990 18,991 8,992 0.068,993 3,994 2,995 1.333,996 3.116,997 158.548,998 0.333,999 12,1000 86.439,1005 13.748,1006 4.956,1007 2.12,1009 57.28,1010 6.073,1015 3.402,1017 18.011,1018 386.606,1019 26,1024 11.346,1028 -0.411,1031 41.694,1032 47.567,1034 0.267,1035 0.6,1036 0.837,1037 0.902,1038 0.902,1039 0.902,1040 4.6,1041 0.676,1042 5.659,1043 2.988,1044 4.205,1045 4.522,1046 2.351,1047 6.619,1048 4.138,1049 5.815,1050 0.424,1051 7.322,1052 1.386,1053 4.111,1054 4.494,1055 1.847,1056 8.069,1057 4.039,1058 7.164,1059 0.152,1060 9.105,1061 0.682,1062 5.989,1063 6.626,1064 3.504,1065 11.215,1066 5.882,1067 8.552,1068 -0.269,1069 10.966,1070 0.25,1071 6.735,1072 7.368,1073 3.598,1074 13.534,1075 6.639,1076 9.977,1077 -0.672,1078 12.881,1079 -0.581,1080 8.176,1081 9.068,1082 4.907,1083 16.342,1084 8.062,1085 11.428,1086 -0.826,1087 14.836,1088 -1.774,1089 9.267,1090 10.15,1091 5.29,1092 18.937,1093 9.164,1094 12.901,1095 -1.075,1096 16.82,1097 -2.622,1098 10.591,1099 11.695,1100 6.387,1101 21.668,1102 10.48,1103 3.685,1104 -1.279,1105 18.827,1106 -2.942,1107 11.815,1108 12.942,1109 6.93,1110 24.341,1111 11.708,1112 2.693,1113 14.943,1114 20.85,1115 -3.359,1116 13.114,1117 14.422,1118 7.902,1119 27.053,1120 13.001,1121 2.413,1122 8.716,1123 22.886,1124 4.16,1125 14.388,1126 15.753,1127 8.539,1128 29.748,1129 14.272,1130 2.234,1131 7.456,1132 24.931,1133 3.314,1134 15.685,1135 17.204,1136 9.436,1137 32.454,1138 15.564,1139 1.938,1140 6.977,1141 26.982,1142 2.867,1143 16.977,1144 18.578,1145 10.13,1146 35.156,1147 16.85,1148 1.352,1149 5.212,1150 29.039,1151 2.505,1152 18.276,1153 20.015,1154 10.981,1155 37.861,1156 18.142,1157 1.121,1158 4.042,1159 31.099,1160 2.388,1161 19.575,1162 21.413,1163 11.71,1164 40.564,1165 19.434,1166 3397,1167 5164,1168 14.216,1169 26.534,1170 33.537,1171 34.691,1172 36.118,1173 33.346,1174 33.373,1175 38.955,1176 6.705,1177 105.304,1178 32.214,1179 5.743,1180 5.899,1181 7.485,1182 5.72,1183 5.685,1184 7.16,1185 3.889,1186 23.402,1187 5.652,1188 10.814,1189 1.524,1190 1.577,1191 1.642,1192 1.516,1193 1.517,1194 1.771,1195 0.305,1196 4.787,1197 1.464,1198 4.098,1199 4.13,1200 4.036,1201 4.027,1202 7.435,1203 4.025,1204 3.723,1205 3.766,1206 3.641,1207 3.578,1208 4.819,1209 3.583,1210 3.529,1211 3.593,1212 3.432,1213 3.256,1214 4.422,1215 3.274,1216 3.393,1217 3.477,1218 3.193,1219 3.197,1220 4.226,1221 3.2,1222 3.178,1223 3.247,1224 3.005,1225 3.026,1226 4.037,1227 3.011,1228 3.076,1229 3.184,1230 2.819,1231 2.881,1232 3.93,1233 2.852,1234 2.935,1235 2.981,1236 2.735,1237 2.66,1238 3.639,1239 2.661,1240 2.775,1241 2.848,1242 2.577,1243 2.6,1244 3.509,1245 2.598,1246 0.217,1247 0.177,1248 0.361,1249 0.213,1250 0.167,1251 4.78,1252 0.189,1253 3.899,1254 0.099,1255 7.933,1256 0.679,1257 4.675,1258 0.166,1259 3.685,1260 4.16,1261 2.186,1262 14.943,1263 3.652,1264 1.911,1265 1.893,1266 2.013,1267 1.994,1268 1.312,1269 1.999,1270 1.677,1271 1.623,1272 1.892,1273 1.864,1274 1.218,1275 1.876,1276 1.591,1277 1.52,1278 1.843,1279 1.778,1280 1.072,1281 1.798,1282 1.405,1283 1.336,1284 1.691,1285 1.722,1286 0.828,1287 1.715,1288 1.272,1289 1.186,1290 1.604,1291 1.494,1292 0.682,1293 1.538,1294 1.095,1295 1.016,1296 1.451,1297 1.337,1298 0.595,1299 1.375,1300 0.848,1301 0.795,1302 1.129,1303 1.187,1304 0.3,1305 1.168,1306 0.801,1307 0.728,1308 1.098,1309 1.001,1310 0.162,1311 1.045,1312 3.807,1314 5.176,1315 3.045,1316 6.751,1317 5.587,1318 8.425,1319 7.832,1320 10.161,1322 6.154,1328 4.565,1329 2.484,1330 5.272,1332 0.595,1333 2.569,1334 0.202,1340 24.74,1341 60.37,1342 135.909,1343 189.458,1344 204.213,1345 204.213,1346 204.213,1347 28.615,1348 6.919,1349 41.57,1350 41.57,1351 16,1352 12.666,1353 3,1354 2.322,1355 29.916,1356 56,1357 64,1358 0.278,1359 151.939,1360 266.4,1361 362.492,1362 7638,1364 14.328,1365 0.716,1366 0.62,1367 14.328,1368 12.402,1369 9.58,1370 0.435,1371 0.334,1372 7.256,1373 9.198,1374 6.981,1375 5.795,1376 9.58,1377 7.352,1378 8.85,1379 0.268,1380 0.181,1381 8.85,1382 5.974,1383 7.933,1384 0.169,1385 0.107,1386 7.933,1387 5.025,1388 6.518,1389 0.1,1390 0.059,1391 6.518,1392 3.843,1393 5.336,1394 0.065,1395 0.034,1396 5.336,1397 2.762,1398 0.418,1399 60.006,1400 0.265,1401 19.444,1402 0.817,1403 110,1404 277.449,1405 120.555,1406 264.042,1407 365.45,1408 248,1409 135,1410 274.782,1411 144.479,1412 276.386,1413 409.99,1414 260,1415 7.42}
{0 CHEMBL284692,1 1.592,2 8.722,3 1.713,4 2.936,5 69.547,6 7.245,7 0.579,8 3.629,9 3.752,10 3.168,11 3.066,12 4.818,13 3.064,14 4.107,15 4.296,16 3.403,17 3.4,18 5.127,19 3.374,20 4.232,21 4.425,22 3.38,23 3.5,24 5.216,25 3.419,26 4.385,27 4.636,28 3.283,29 3.394,30 5.33,31 3.293,32 4.229,33 4.486,34 3.14,35 3.201,36 5.249,37 3.131,38 4.126,39 4.368,40 2.923,41 3.138,42 5.161,43 3.038,44 3.911,45 4.178,46 2.888,47 3.107,48 4.772,49 2.995,50 3.841,51 4.082,52 2.839,53 3.059,54 4.822,55 2.953,56 0.086,57 0.496,58 7.439,59 2.783,60 13.536,61 3.873,62 0.28,63 0.731,64 13.368,65 4.071,66 16.04,67 5.848,68 0.154,69 0.799,70 14.745,71 5.576,72 14.871,73 7.767,74 0.378,75 0.789,76 19.075,77 5.498,78 26.78,79 8.376,80 0.317,81 0.645,82 16.671,83 4.454,84 31.871,85 6.69,86 0.438,87 0.578,88 15.292,89 4.203,90 44.156,91 6.035,92 0.134,93 0.543,94 11.486,95 3.841,96 14.182,97 5.849,98 0.125,99 0.513,100 10.479,101 3.601,102 15.63,103 5.338,104 7,105 24,106 0.296,107 0.622,108 0.776,109 0.829,110 0.855,111 0.855,112 2.958,113 0.907,114 -2.55,115 -2.57,116 -2.51,121 38.2,126 1,127 1,128 1,144 5,145 1,147 1,153 1,157 1,163 1,172 1,176 6,180 1,182 2,187 6,191 1,192 2,194 1,200 3,205 1,206 2,209 1,213 1,216 1,218 1,219 1,229 2,232 1,235 1,241 2,244 3,253 1,256 4,261 1,269 3,274 2,281 368,282 12.405,283 12.405,284 12.405,285 12.405,286 12.405,287 10.634,288 15.27,289 7.745,290 12.809,291 9.353,292 9.353,293 9.353,294 9.353,295 9.353,296 6.996,297 22.055,298 3.588,299 9.95,300 3.496,301 1.743,302 0.915,303 0.633,304 0.493,305 0.493,306 3.618,311 1,312 1,313 325,314 2.646,317 54.138,318 63.093,325 1.228,326 9.575,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 39.5,338 157,339 4.399,340 3.631,341 6.47,342 3.94,343 3.024,344 4.086,345 1.697,346 10.003,347 2.769,348 3.896,349 3.104,350 5.341,351 3.508,352 2.52,353 3.444,354 1.24,355 6.967,356 2.49,357 3.176,358 2.822,359 4.95,360 2.803,361 1.912,362 2.345,363 0.362,364 5.413,365 1.701,366 3.041,367 2.244,368 4.112,369 2.507,370 1.545,371 2.129,373 3.605,374 1.49,375 2.929,376 1.755,377 3.674,378 2.469,379 1.509,380 2.096,382 3.211,383 1.441,384 2.5,385 1.475,386 3.324,387 2,388 1.033,389 1.5,391 2.276,392 1,393 2.366,394 1.346,395 3.247,396 1.912,397 1,398 1.25,400 2.136,401 0.9,402 2.204,403 1,404 3.109,405 1.807,406 0.856,407 1.146,409 1.557,410 0.811,411 1.267,412 0.692,413 2.614,414 1.069,415 0.132,416 0.145,418 0.276,419 0.123,420 0.883,421 0.407,422 2,423 0.639,424 -0.311,425 -0.356,427 -0.616,428 -0.292,429 0.521,430 -0.199,431 1.925,432 0.153,433 -0.79,434 -0.985,436 -1.514,437 -0.746,438 0.5,439 -0.565,440 1.622,441 0.021,442 -0.897,443 -1.102,445 -1.922,446 -0.823,447 0.387,448 -1,449 1.555,451 -1,452 -1.5,454 -2.347,455 -1,456 0.041,457 -1.005,458 1.394,459 -0.369,460 -1.292,461 -1.605,463 -3.185,464 -1.175,465 -0.313,466 -1.364,467 1.027,468 -0.704,469 -1.652,470 -2.094,472 -4.325,473 -1.553,474 8.367,475 0.465,476 0.277,477 0.015,478 22.5,479 1.25,480 10.5,481 0.583,482 12,483 0.667,484 11.09,485 0.616,486 20.133,487 0.592,488 14.779,489 0.821,490 5.104,491 0.284,492 3.705,493 0.206,494 0.1,496 0.215,501 0.851,502 1.551,503 0.821,504 1.227,505 0.815,506 1.055,507 1.215,508 0.876,509 1.028,510 0.781,511 0.689,512 0.843,513 0.766,514 1.221,515 1.066,516 1.356,517 0.658,518 1.282,519 0.94,520 1.068,521 1.02,522 1.098,523 0.671,524 1.078,525 1.333,526 0.867,527 1,528 0.891,529 1.099,530 0.877,531 1.614,532 0.758,533 1.209,534 0.729,535 1.959,536 0.889,537 0.578,538 0.895,539 0.784,540 0.844,541 0.505,542 0.843,543 0.741,544 1.044,545 0.94,546 1.008,547 0.981,548 1.01,549 2.5,550 0.033,551 1.778,552 1.104,553 0.481,554 0.306,555 0.183,556 0.148,557 0.1,558 0.056,559 2916,560 8137,561 2.026,562 47.1,564 10,565 3,566 2,567 1,572 1.582,573 1.929,574 3.122,575 -0.225,577 1,578 1,579 1,582 54.113,583 1.592,584 3.344,585 4.172,586 4.455,587 4.595,588 4.595,589 2.483,590 3.725,591 4.143,592 3.245,593 496.421,594 7.008,595 4884.37,596 1,597 1,599 1,600 172.974,601 1.224,602 4.116,603 0.132,604 0.008,605 0.074,606 0.05,607 0.027,608 0.019,609 0.014,610 0.011,611 0.008,612 0.006,613 0.348,614 0.67,615 1,616 1.047,617 77.959,618 0.07,619 -0.315,620 0.058,621 -0.133,622 0.045,623 -0.063,624 -0.138,625 0.276,626 -0.079,627 0.195,628 -0.097,629 0.09,630 0.014,631 -0.138,632 -0.168,633 -0.304,634 -0.029,635 -0.278,636 0.116,637 -0.135,638 -0.025,639 -0.17,640 0.064,641 -0.131,642 -0.082,643 0.036,644 0.034,645 0.009,646 0.035,647 0.047,648 -0.171,649 0.111,650 -0.164,651 0.197,652 -0.244,653 0.038,654 0.005,655 0.072,656 0.146,657 0.158,658 0.047,659 0.178,660 -0.06,661 -0.049,662 -0.018,663 0.011,664 -0.061,665 0.004,666 1.086,667 2.592,668 0.611,669 12.716,670 1.006,671 1.136,672 1.319,673 1.739,674 0.643,675 2.996,676 3.219,677 3.434,678 3.611,679 3.611,680 3.401,681 3.401,682 3.434,683 3.466,684 3.434,685 5.262,686 0.615,687 246.32,688 2.996,689 4.466,690 5.273,691 6.103,692 6.929,693 7.765,694 8.598,695 9.438,696 10.275,697 11.117,698 8.8,706 1,707 1,708 1,715 7,720 2,721 2,722 11,726 1,741 34,743 12,744 1,745 19,747 35,748 13,749 9,750 1,751 5,752 1,756 2,757 2,772 10,773 3,777 1,784 1,785 1,790 1,793 16,794 3,795 1,796 5,799 1,802 3,803 1,808 1,809 2,828 1,829 1,857 1,858 1,859 2,864 1,868 18,875 1,876 2,878 1,893 5.9,897 1,898 1,901 9.333,902 6.183,903 4.222,904 1.791,907 2.139,908 1.359,909 0.918,910 4.5,911 8.1,912 3.277,913 3.801,914 4.319,915 4.824,916 5.038,917 4.828,918 4.932,919 5.085,920 5.375,921 5.697,922 0.833,923 22,924 6.563,926 2.583,927 0.026,929 7.769,931 12.48,933 9.465,936 2.269,937 40.833,938 0.001,941 176.567,942 97.189,943 17.046,945 53.806,948 97.189,949 230.372,950 17.046,951 8.396,952 8.756,953 56.429,954 47.817,955 70.185,956 35.313,957 117.711,959 176.567,960 114.235,961 53.806,964 176.567,965 42.806,966 11,968 35.278,969 68.011,970 10.947,972 176.567,973 70.851,974 97.189,977 176.567,978 14.269,979 86.718,981 67.053,982 176.567,983 70.851,984 97.189,986 0.55,987 0.322,988 0.178,989 0.088,990 10,991 4,992 0.143,993 5,995 1,996 3.157,997 115.992,999 11,1000 71.059,1005 12.798,1006 6.328,1007 3.421,1009 67.053,1010 13.74,1015 1.9,1016 3.717,1017 42.806,1018 344.607,1019 25.5,1026 1.381,1027 3.044,1031 34.203,1032 38.613,1034 0.313,1035 0.657,1036 0.82,1037 0.876,1038 0.903,1039 0.903,1040 4.44,1041 0.856,1042 5.198,1043 2.136,1044 3.892,1045 4.483,1046 2.312,1047 5.922,1048 3.772,1049 5.606,1050 0.132,1051 6.698,1052 1.557,1053 3.219,1054 4.007,1056 6.698,1057 3.026,1058 6.872,1059 -0.311,1060 8.308,1061 0.276,1062 5.38,1063 6.6,1064 3.107,1065 9.785,1066 5.133,1067 8.181,1068 -0.79,1069 9.988,1070 -0.616,1071 5.638,1072 7.073,1074 11.502,1075 5.293,1076 9.527,1077 -0.897,1078 11.716,1079 -1.514,1080 7.186,1081 9.027,1082 4.026,1083 14.061,1084 6.799,1085 10.902,1086 -1,1087 13.477,1088 -1.922,1089 7.892,1090 9.957,1092 16.137,1093 7.392,1094 12.298,1095 -1.292,1096 15.262,1097 -2.347,1098 9.175,1099 11.622,1100 5.009,1101 18.527,1102 8.627,1103 3.024,1104 -1.652,1105 17.065,1106 -3.185,1107 10.093,1108 12.781,1110 20.74,1111 9.429,1112 2.52,1113 10.003,1114 18.882,1115 -4.325,1116 11.264,1117 14.309,1118 6.027,1119 23.074,1120 10.54,1121 1.912,1122 6.967,1123 20.708,1124 4.086,1125 12.28,1126 15.583,1128 25.341,1129 11.443,1130 1.545,1131 5.413,1132 22.543,1133 3.444,1134 13.406,1135 17.045,1136 7.064,1137 27.655,1138 12.496,1139 1.509,1140 3.605,1141 24.385,1142 2.345,1143 14.467,1144 18.379,1146 29.942,1147 13.449,1148 1.033,1149 3.211,1150 26.231,1151 2.129,1152 15.576,1153 19.811,1154 8.11,1155 32.249,1156 14.476,1157 1,1158 2.276,1159 28.081,1160 2.096,1161 16.658,1162 21.177,1164 34.546,1165 15.455,1166 2953,1167 5008,1168 12.712,1169 21.875,1170 27.548,1171 29.269,1172 28.209,1173 27.071,1174 27.061,1175 36.282,1176 6.598,1177 70.886,1178 25.446,1179 5.271,1180 5.631,1181 6.272,1182 5.031,1183 5.024,1184 7.086,1185 3.394,1186 16.502,1187 4.769,1188 7.313,1189 1.45,1190 1.54,1191 1.485,1192 1.425,1193 1.424,1194 1.91,1195 0.347,1196 3.731,1197 1.339,1198 4.031,1199 4.094,1200 3.983,1201 3.857,1202 6.546,1203 3.866,1204 3.898,1205 3.93,1206 3.824,1207 3.79,1208 4.879,1209 3.81,1210 3.357,1211 3.412,1212 3.228,1213 3.101,1214 4.756,1215 3.118,1216 3.25,1217 3.316,1218 3.158,1219 2.953,1220 4.43,1221 2.988,1222 3.09,1223 3.179,1224 2.897,1225 2.882,1226 4.04,1227 2.872,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.788,1233 2.715,1234 2.83,1235 2.92,1236 2.602,1237 2.63,1238 3.674,1239 2.611,1240 2.459,1241 2.551,1242 2.264,1243 2.216,1244 3.569,1245 2.197,1246 0.232,1247 0.191,1248 0.341,1249 0.207,1250 0.159,1251 4.399,1252 0.215,1253 3.631,1254 0.089,1255 6.47,1256 0.526,1257 3.94,1258 0.146,1259 3.024,1260 4.086,1261 1.697,1262 10.003,1263 2.769,1264 1.905,1265 1.877,1266 2.034,1267 2.001,1268 1.138,1269 2.011,1270 1.644,1271 1.58,1272 1.797,1273 1.904,1274 0.928,1275 1.874,1276 1.544,1277 1.478,1278 1.73,1279 1.783,1280 0.832,1281 1.775,1282 1.201,1283 1.15,1284 1.452,1285 1.479,1286 0.599,1287 1.459,1288 1.038,1289 0.952,1290 1.342,1291 1.355,1292 0.355,1293 1.35,1294 0.886,1295 0.821,1296 1.213,1297 1.112,1298 0.304,1299 1.156,1300 0.855,1301 0.766,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.514,1307 0.429,1308 0.89,1309 0.885,1311 0.873,1312 3.664,1314 4.905,1315 2.398,1316 6.34,1317 4.727,1318 7.863,1319 6.783,1320 9.43,1322 1.88,1327 8.592,1328 0.968,1330 5.612,1340 20.918,1341 54.113,1342 113.713,1343 141.854,1344 151.464,1345 156.219,1346 156.219,1347 20.931,1348 5.961,1349 50.63,1350 50.63,1351 11,1352 11.682,1353 3.7,1354 2.907,1355 31.174,1356 57,1357 48,1358 0.271,1359 132.959,1360 223,1361 316.179,1362 2596,1364 12.795,1365 0.711,1366 0.571,1367 12.795,1368 10.283,1369 8.809,1370 0.464,1371 0.302,1372 5.614,1373 8.307,1374 5.465,1375 4.602,1376 8.809,1377 5.743,1378 7.202,1379 0.3,1380 0.169,1381 7.202,1382 4.06,1383 5.863,1384 0.195,1385 0.092,1386 5.863,1387 2.757,1388 4.726,1389 0.131,1390 0.05,1391 4.726,1392 1.798,1393 3.397,1394 0.094,1395 0.029,1396 3.397,1397 1.027,1398 0.428,1399 56.398,1400 0.28,1401 18.477,1402 0.729,1403 86,1404 269.508,1405 96.035,1406 257.49,1407 342.43,1408 240,1409 97,1410 244.86,1411 108.34,1412 248.695,1413 348.95,1414 229,1415 4.252}
{0 CHEMBL284938,1 1.354,2 11.625,3 4.514,4 20.38,5 97.254,6 6.121,7 0.231,8 4.046,9 4.185,10 3.446,11 3.549,12 4.947,13 3.49,14 4.667,15 4.879,16 3.825,17 3.995,18 5.537,19 3.9,20 4.96,21 5.203,22 3.858,23 4.182,24 5.718,25 4.045,26 5.068,27 5.341,28 3.732,29 4.161,30 5.836,31 3.983,32 4.988,33 5.291,34 3.599,35 3.946,36 5.78,37 3.777,38 4.696,39 4.954,40 3.433,41 3.704,42 5.581,43 3.578,44 4.531,45 4.785,46 3.379,47 3.57,48 5.465,49 3.46,50 4.448,51 4.676,52 3.251,53 3.469,54 5.528,55 3.376,56 0.057,57 0.756,58 13.48,59 5.415,60 7.712,61 7.779,62 0.383,63 1.255,64 25.081,65 9.171,66 32.109,67 13.543,68 0.25,69 1.561,70 32.791,71 12.262,72 25.204,73 17.974,74 0.295,75 1.606,76 36.172,77 13.038,78 37.631,79 19.331,80 0.338,81 1.361,82 33.456,83 10.849,84 42.108,85 16.442,86 0.403,87 1.021,88 25.861,89 7.975,90 36.849,91 11.723,92 0.234,93 0.902,94 21.757,95 6.775,96 27.454,97 10.139,98 0.439,99 0.812,100 20.837,101 5.704,102 47.732,103 8.414,104 25,105 37,106 0.229,107 0.506,108 0.754,109 0.867,110 0.879,111 0.879,112 3.228,113 1.077,114 -4.4,115 -4.33,116 -4.09,121 37,122 2,123 6,125 1,126 1,127 2,129 1,144 3,145 2,146 1,161 1,176 12,179 1,180 5,183 2,185 1,187 15,192 5,197 1,200 13,206 8,211 3,214 4,219 8,224 3,227 2,231 1,232 4,237 3,239 2,244 5,249 3,251 4,255 1,256 2,259 1,264 6,277 9,281 844,282 16.109,283 16.109,284 16.109,285 16.109,286 16.109,287 15.269,288 20.901,289 9.665,290 16.391,291 12.798,292 12.798,293 12.798,294 12.798,295 12.798,296 11.417,297 26.288,298 4.579,299 13.225,300 4.401,301 2.765,302 1.301,303 0.635,304 0.56,305 0.56,306 3.906,311 1,312 1,313 597,314 3.937,317 96.485,318 54.917,320 77.694,321 82.961,324 116.126,325 1.823,326 17.504,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 51,338 279,339 4.778,340 3.895,341 7.93,342 4.673,343 3.682,344 4.16,345 2.186,346 14.919,347 3.65,348 3.983,349 3.662,350 6.125,351 3.638,352 2.686,353 3.31,354 0.8,355 8.534,356 2.563,357 3.661,358 2.819,359 5.608,360 3.341,361 2.395,362 2.87,363 0.366,364 7.194,365 2.245,366 3.313,367 2.551,368 5.406,369 3.156,370 2.196,371 2.516,373 6.963,374 2.098,375 3.269,376 2.394,377 4.792,378 2.963,379 1.991,380 2.328,382 5.403,383 1.922,384 2.797,385 1.875,386 4.51,387 2.755,388 1.757,389 1.795,391 3.787,392 1.748,393 2.571,394 1.463,395 4.145,396 2.273,397 1.301,398 1.593,400 3.489,401 1.261,402 2.289,403 1.46,404 3.773,405 2.212,406 1.224,407 1.279,409 2.987,410 1.204,411 2.259,412 1.158,413 3.301,414 2.111,415 1.117,416 1.241,418 2.309,419 1.109,420 1.617,421 0.894,422 3.24,423 1.519,424 0.556,425 0.575,427 1.182,428 0.532,429 1.553,430 0.758,431 2.889,432 1.419,433 0.434,434 0.466,436 0.865,437 0.425,438 1.14,439 0.495,440 2.759,441 0.89,442 -0.056,443 -0.061,445 -0.13,446 -0.052,447 0.819,448 0.026,449 2.421,450 0.689,451 -0.307,452 -0.33,454 -0.559,455 -0.303,456 0.658,457 -0.176,458 2.413,459 0.374,460 -0.609,461 -0.697,463 -1.624,464 -0.591,465 0.598,466 -0.562,467 2.343,468 0.174,469 -0.822,470 -1,472 -1.879,473 -0.819,474 11.467,475 0.478,476 0.63,477 0.026,478 23,479 0.958,480 8,481 0.333,482 15,483 0.625,484 25.792,485 1.075,486 28.133,487 0.521,488 14.706,489 0.613,490 3.779,491 0.157,492 7.763,493 0.323,494 0.16,495 0.044,496 0.253,501 0.791,502 1.472,503 0.986,504 1.297,505 0.61,506 1.179,507 0.634,508 1.027,509 0.937,510 0.996,511 0.383,512 0.989,513 0.909,514 1.121,515 1.029,516 1.108,517 0.675,518 1.084,519 0.921,520 1.14,521 1.042,522 1.142,523 0.853,524 1.112,525 1.16,526 0.927,527 0.865,528 0.888,529 1.208,530 0.849,531 1.993,532 0.904,533 1.132,534 0.886,535 1.72,536 0.919,537 1.646,538 1.139,539 1.017,540 1.039,541 1.84,542 0.971,543 2.824,544 0.786,545 1.443,546 0.814,547 3.727,548 0.958,549 5.5,550 0.094,551 3.333,552 2.396,553 1.161,554 0.583,555 0.497,556 0.281,557 0.201,558 0.115,559 6531,560 11674,561 2.03,562 55.6,563 12,564 11,567 1,569 6,572 1.664,573 1.882,574 3.429,575 -0.383,582 73.119,583 1.354,584 2.99,585 4.454,586 5.12,587 5.194,588 5.194,589 2.944,590 4.335,591 4.546,592 3.615,593 997.72,594 7.824,595 11939.8,597 1,600 310.764,601 1.601,602 4.498,603 0.212,604 0.007,605 0.09,606 0.065,607 0.039,608 0.022,609 0.023,610 0.013,611 0.011,612 0.008,613 0.49,614 0.33,615 1,616 2.15,617 115.673,618 0.013,619 -0.145,620 0.063,621 -0.053,622 -0.008,623 0.001,624 0.294,625 0.155,626 0.092,627 0.096,628 0.249,629 0.077,630 -0.048,631 -0.047,632 -0.04,633 -0.048,635 -0.042,636 -0.028,637 -0.151,638 -0.071,639 -0.139,640 0.011,641 -0.114,642 0.001,643 -0.023,644 0.121,645 0.027,646 -0.007,647 0.081,648 -0.134,649 0.037,650 -0.054,651 0.043,652 -0.176,653 0.006,654 -0.061,655 -0.162,656 0.04,657 -0.086,658 -0.058,659 -0.021,660 -0.311,661 0.224,662 -0.267,663 0.081,664 -0.37,665 -0.07,666 2.005,667 4.963,668 0.5,669 23.472,670 0.986,671 1.134,672 3.173,673 10.065,674 0.622,675 3.296,676 3.638,677 3.932,678 4.234,679 4.431,680 4.533,681 4.71,682 4.779,683 4.736,684 4.754,685 6.524,686 0.571,687 330.52,688 3.296,689 4.844,690 5.707,691 6.613,692 7.513,693 8.438,694 9.357,695 10.293,696 11.225,697 12.167,698 3.7,701 1,705 1,715 3,720 3,722 6,737 1,741 54,743 7,744 1,745 26,747 56,748 20,749 6,750 3,751 3,756 3,757 6,763 2,764 1,766 1,767 3,770 7,772 7,773 13,777 1,782 1,786 1,790 1,793 30,794 4,795 1,796 4,802 2,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 3,868 24,876 8,877 1,878 1,880 1,881 1,882 1,893 3.7,896 1,898 1,901 12.75,902 10.367,903 5.347,904 3.749,907 1.289,908 1.179,909 0.929,910 5.386,911 8.476,912 3.434,913 3.922,914 4.385,915 4.901,916 5.375,917 5.612,918 5.976,919 6.221,920 6.247,921 6.302,922 0.875,923 37,924 8.958,926 3.753,927 0.026,929 7.51,931 17.886,933 15.188,936 2.01,937 48.25,938 0.001,939 1,940 1,941 341.362,942 92.271,943 21.135,945 36.145,948 92.271,949 377.507,950 21.135,951 26.047,952 37.429,953 28.429,954 25.145,955 25.739,956 6.763,957 341.362,959 341.362,960 113.406,961 36.145,964 270.735,965 106.771,968 58.204,969 55.202,972 341.362,973 57.28,974 92.271,977 341.362,978 37.796,979 57.6,980 18.011,981 36.145,982 341.362,983 57.28,984 92.271,986 0.577,987 0.334,988 0.179,989 0.095,990 18,991 8,992 0.125,993 7,994 2,995 1.333,996 3.644,997 190.492,998 0.333,999 12,1000 110.039,1005 17.597,1006 7.346,1007 3.589,1009 57.28,1010 6.154,1015 3.433,1017 18.011,1018 490.913,1019 30,1024 11.963,1028 -0.338,1031 53.229,1032 61.228,1034 0.235,1035 0.519,1036 0.774,1037 0.89,1038 0.903,1039 0.903,1040 4.714,1041 1.224,1042 5.733,1043 3.489,1044 4.317,1045 4.605,1046 2.351,1047 6.648,1048 4.258,1049 5.895,1050 1.117,1051 7.362,1052 2.987,1053 4.111,1054 4.494,1055 1.847,1056 8.046,1057 4.039,1058 7.218,1059 0.556,1060 9.121,1061 2.309,1062 6.038,1063 6.652,1064 3.504,1065 11.202,1066 5.938,1067 8.585,1068 0.434,1069 10.968,1070 1.182,1071 6.723,1072 7.361,1073 3.598,1074 13.517,1075 6.63,1076 9.995,1077 -0.056,1078 12.875,1079 0.865,1080 8.186,1081 9.073,1082 4.907,1083 16.326,1084 8.078,1085 11.437,1086 -0.307,1087 14.826,1088 -0.13,1089 9.255,1090 10.145,1091 5.29,1092 18.922,1093 9.157,1094 12.904,1095 -0.609,1096 16.809,1097 -0.559,1098 10.586,1099 11.694,1100 6.387,1101 21.652,1102 10.48,1103 3.682,1104 -0.822,1105 18.815,1106 -1.624,1107 11.804,1108 12.939,1109 6.93,1110 24.325,1111 11.701,1112 2.686,1113 14.919,1114 20.839,1115 -1.879,1116 13.105,1117 14.42,1118 7.902,1119 27.035,1120 12.997,1121 2.395,1122 8.534,1123 22.875,1124 4.16,1125 14.376,1126 15.75,1127 8.539,1128 29.729,1129 14.266,1130 2.196,1131 7.194,1132 24.92,1133 3.31,1134 15.674,1135 17.202,1136 9.436,1137 32.434,1138 15.558,1139 1.991,1140 6.963,1141 26.973,1142 2.87,1143 16.964,1144 18.576,1145 10.13,1146 35.134,1147 16.843,1148 1.757,1149 5.403,1150 29.03,1151 2.516,1152 18.263,1153 20.013,1154 10.981,1155 37.837,1156 18.135,1157 1.301,1158 3.787,1159 31.09,1160 2.328,1161 19.561,1162 21.411,1163 11.71,1164 40.539,1165 19.426,1166 6493,1167 8819,1168 16.989,1169 33.58,1170 38.798,1171 39.942,1172 40.825,1173 38.707,1174 38.675,1175 44.267,1176 6.705,1177 115.263,1178 37.515,1179 5.74,1180 5.895,1181 7.883,1182 5.75,1183 5.682,1184 7.16,1185 3.889,1186 23.348,1187 5.65,1188 12.547,1189 1.492,1190 1.536,1191 1.57,1192 1.489,1193 1.487,1194 1.703,1195 0.258,1196 4.433,1197 1.443,1198 4.096,1199 4.129,1200 4.035,1201 4.026,1202 7.435,1203 4.024,1204 3.771,1205 3.836,1206 3.65,1207 3.625,1208 4.82,1209 3.61,1210 3.698,1211 3.744,1212 3.576,1213 3.564,1214 4.424,1215 3.565,1216 3.524,1217 3.596,1218 3.394,1219 3.312,1220 4.251,1221 3.313,1222 3.298,1223 3.358,1224 3.134,1225 3.08,1226 4.128,1227 3.089,1228 3.236,1229 3.323,1230 3.033,1231 3.039,1232 3.982,1233 3.025,1234 3.133,1235 3.211,1236 2.958,1237 2.936,1238 3.875,1239 2.941,1240 2.965,1241 3.081,1242 2.69,1243 2.753,1244 3.632,1245 2.721,1246 0.184,1247 0.15,1248 0.305,1249 0.18,1250 0.142,1251 4.778,1252 0.16,1253 3.895,1254 0.084,1255 7.93,1256 0.574,1257 4.673,1258 0.14,1259 3.682,1260 4.16,1261 2.186,1262 14.919,1263 3.65,1264 1.911,1265 1.893,1266 2.025,1267 1.997,1268 1.353,1269 2.001,1270 1.764,1271 1.698,1272 2.011,1273 1.935,1274 1.312,1275 1.967,1276 1.663,1277 1.613,1278 1.868,1279 1.825,1280 1.195,1281 1.838,1282 1.539,1283 1.464,1284 1.798,1285 1.767,1286 1.035,1287 1.782,1288 1.496,1289 1.418,1290 1.785,1291 1.726,1292 1.014,1293 1.75,1294 1.203,1295 1.158,1296 1.484,1297 1.494,1298 0.641,1299 1.487,1300 1.09,1301 1.006,1302 1.453,1303 1.323,1304 0.604,1305 1.368,1306 1.014,1307 0.899,1308 1.442,1309 1.291,1310 0.562,1311 1.354,1312 3.97,1314 5.303,1315 3.045,1316 6.834,1317 5.587,1318 8.473,1319 7.825,1320 10.184,1322 6.748,1328 8.7,1329 2.851,1330 5.503,1332 0.579,1333 2.462,1334 0.195,1340 30.848,1341 73.119,1342 161.433,1343 240.525,1344 276.499,1345 280.499,1346 280.499,1347 41.613,1348 7.188,1349 41.57,1350 41.57,1351 16,1352 12.664,1353 3,1354 2.322,1355 39.668,1356 92,1357 122,1358 0.212,1359 190.309,1360 335.6,1361 456.113,1362 11949,1364 17.156,1365 0.715,1366 0.635,1367 17.156,1368 15.23,1369 11.542,1370 0.444,1371 0.359,1372 9.241,1373 11.174,1374 8.919,1375 7.468,1376 11.542,1377 9.337,1378 10.453,1379 0.283,1380 0.204,1381 10.453,1382 7.564,1383 8.714,1384 0.174,1385 0.117,1386 8.714,1387 5.871,1388 7.271,1389 0.107,1390 0.064,1391 7.271,1392 4.335,1393 5.736,1394 0.069,1395 0.036,1396 5.736,1397 2.961,1398 0.339,1399 71.759,1400 0.243,1401 23.78,1402 0.564,1403 126,1404 293.449,1405 136.555,1406 281.286,1407 388.09,1408 264,1409 150,1410 289.712,1411 159.645,1412 293.237,1413 432.03,1414 275,1415 7.114}
{0 CHEMBL286690,1 1.387,2 11.538,3 4.206,4 17.687,5 103.539,6 6.74,7 0.414,8 4.033,9 4.156,10 3.527,11 3.59,12 5.017,13 3.547,14 4.619,15 4.802,16 3.922,17 4.031,18 5.585,19 3.961,20 4.908,21 5.121,22 3.957,23 4.212,24 5.746,25 4.102,26 5.027,27 5.271,28 3.83,29 4.2,30 5.86,31 4.046,32 5.006,33 5.297,34 3.742,35 4.033,36 5.843,37 3.881,38 4.759,39 5.007,40 3.573,41 3.805,42 5.712,43 3.692,44 4.539,45 4.78,46 3.498,47 3.659,48 5.527,49 3.561,50 4.436,51 4.656,52 3.343,53 3.572,54 5.51,55 3.477,56 0.042,57 0.727,58 11.908,59 5.133,60 7.631,61 7.008,62 0.35,63 1.239,64 22.592,65 8.722,66 32.789,67 12.337,68 0.228,69 1.576,70 30.47,71 11.861,72 26.343,73 16.681,74 0.264,75 1.685,76 34.929,77 13.334,78 39.304,79 18.927,80 0.285,81 1.552,82 35.169,83 12.488,84 45.684,85 18.093,86 0.415,87 1.165,88 27.963,89 9.442,90 47.741,91 12.867,92 0.209,93 0.979,94 21.861,95 7.776,96 31.865,97 10.762,98 0.397,99 0.905,100 20.174,101 6.338,102 46.703,103 8.67,104 11,105 42,106 0.233,107 0.55,108 0.754,109 0.851,110 0.869,111 0.869,112 3.304,113 0.98,114 -4.6,115 -4.52,116 -4.25,121 42.3,122 2,123 2,125 1,127 3,129 1,144 8,145 3,146 1,161 1,176 14,179 1,180 6,183 2,185 1,187 18,192 5,197 2,200 14,206 8,211 4,214 6,219 10,224 3,227 5,231 1,232 6,237 2,239 4,244 5,249 3,251 7,255 1,256 1,259 1,264 10,277 13,281 988,282 17.712,283 17.712,284 17.712,285 17.712,286 17.712,287 16.12,288 24.289,289 10.319,290 18.021,291 14.253,292 14.253,293 14.253,294 14.253,295 14.253,296 11.828,297 32.059,298 4.832,299 14.698,300 4.314,301 2.428,302 1.212,303 0.635,304 0.529,305 0.529,306 4.001,311 1,312 1,313 660,314 3.606,317 102.302,318 146.485,320 82.551,321 87.898,324 123.279,325 1.728,326 17.793,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 55,338 300,339 4.78,340 3.899,341 7.933,342 4.675,343 3.685,344 4.16,345 2.187,346 14.943,347 3.652,348 3.994,349 3.665,350 6.169,351 3.654,352 2.702,353 3.449,354 0.8,355 8.716,356 2.576,357 3.9,358 2.86,359 5.67,360 3.53,361 2.544,362 3.312,363 0.599,364 7.472,365 2.512,366 3.652,367 2.727,368 5.431,369 3.328,370 2.386,371 2.869,372 0.232,373 7.106,374 2.225,375 3.346,376 2.587,377 5.323,378 3.202,379 2.229,380 2.515,382 6.877,383 2.153,384 3.293,385 2.392,386 4.778,387 2.919,388 1.941,389 2.388,391 5.34,392 1.882,393 2.911,394 1.646,395 4.656,396 2.478,397 1.482,398 2.074,400 4.052,401 1.474,402 2.612,403 1.52,404 4.149,405 2.328,406 1.35,407 1.646,409 3.122,410 1.317,411 2.5,412 1.167,413 3.625,414 2.113,415 1.121,416 1.5,418 2.988,419 1.111,420 2.291,421 1.071,422 3.329,423 2,424 1,425 1.276,427 2.136,428 1,429 1.8,430 1,431 3.247,432 1.657,433 0.681,434 0.723,436 1.481,437 0.663,438 1.725,439 0.866,440 3.112,441 1.529,442 0.581,443 0.652,445 1.253,446 0.545,447 1.387,448 0.704,449 2.846,450 1.173,451 0.196,452 0.219,454 0.382,455 0.19,456 0.961,457 0.294,458 2.726,459 0.733,460 -0.229,461 -0.258,463 -0.528,464 -0.217,465 0.788,466 -0.102,467 2.58,468 0.41,469 -0.58,470 -0.671,472 -1.316,473 -0.568,474 12.467,475 0.479,476 0.66,477 0.025,478 30.5,479 1.173,480 14,481 0.538,482 16.5,483 0.635,484 24.268,485 0.933,486 28.333,487 0.545,488 20.706,489 0.796,490 5.72,491 0.22,492 6.878,493 0.265,494 0.107,495 0.04,496 0.273,501 0.775,502 1.287,503 0.868,504 1.119,505 0.607,506 1.018,507 0.635,508 0.992,509 0.89,510 0.937,511 0.413,512 0.932,513 0.988,514 1.123,515 1.069,516 1.1,517 0.704,518 1.091,519 0.97,520 1.198,521 1.123,522 1.202,523 0.876,524 1.184,525 0.946,526 0.949,527 0.817,528 0.927,529 0.903,530 0.865,531 1.939,532 0.853,533 1.084,534 0.875,535 1.65,536 0.893,537 1.491,538 1.06,539 0.919,540 0.979,541 1.675,542 0.907,543 2.286,544 0.769,545 1.351,546 0.814,547 3.089,548 0.955,549 6,550 0.123,551 3.556,552 2.333,553 1.517,554 0.698,555 0.539,556 0.331,557 0.168,558 0.187,559 8622,560 17714,561 2.115,562 50,563 3,564 15,567 1,569 7,572 1.687,573 1.987,574 3.453,575 -0.408,577 1,582 72.104,583 1.387,584 3.273,585 4.489,586 5.065,587 5.171,588 5.171,589 2.936,590 4.393,591 4.67,592 3.622,593 1177.22,594 8.07,595 14793.1,597 1,599 1,600 296.423,601 1.508,602 4.629,603 0.207,604 0.006,605 0.085,606 0.056,607 0.045,608 0.023,609 0.021,610 0.013,611 0.008,612 0.01,613 0.473,614 0.33,615 1,616 0.721,617 128.125,618 0.003,619 -0.101,620 0.068,621 -0.024,622 -0.022,623 0.021,624 0.294,625 0.139,626 0.078,627 0.086,628 0.228,629 0.064,630 -0.086,631 -0.071,632 -0.105,633 -0.088,634 -0.024,635 -0.095,636 -0.057,637 -0.213,638 -0.154,639 -0.213,640 -0.01,641 -0.198,642 0.065,643 -0.03,644 0.179,645 0.016,646 0.111,647 0.1,648 -0.123,649 0.062,650 -0.019,651 0.065,652 -0.105,653 0.037,654 -0.033,655 -0.119,656 0.11,657 -0.013,658 -0.012,659 0.051,660 -0.274,661 0.259,662 -0.266,663 0.102,664 -0.404,665 -0.057,666 2.074,667 5.15,668 0.692,669 24.462,670 0.99,671 1.123,672 3.366,673 11.331,674 0.655,675 3.401,676 3.761,677 4.078,678 4.382,679 4.605,680 4.682,681 4.852,682 4.934,683 4.942,684 4.984,685 6.607,686 0.611,687 350.5,688 3.401,689 4.963,690 5.838,691 6.746,692 7.648,693 8.57,694 9.487,695 10.417,696 11.345,697 12.281,698 3.8,701 1,705 1,715 8,720 4,722 12,737 1,741 52,743 13,744 2,745 29,747 55,748 22,749 12,750 4,751 8,756 4,757 7,763 2,764 1,766 1,767 3,770 3,772 13,773 9,777 1,782 1,786 1,790 1,793 26,794 4,795 1,796 4,802 2,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 2,868 26,876 5,877 1,878 1,880 1,881 1,882 1,893 3.8,896 1,898 1,901 13.083,902 9.783,903 5.681,904 3.385,907 2.091,908 1.274,909 0.97,910 4.66,911 9.71,912 3.611,913 4.159,914 4.663,915 5.182,916 5.673,917 5.788,918 6.134,919 6.391,920 6.502,921 6.632,922 0.875,923 42,924 9.665,926 4.143,927 0.026,929 7.554,931 19.039,933 16.327,936 2.054,937 53.417,939 1,940 1,941 294.278,942 126.409,943 21.135,945 36.145,948 126.409,949 330.422,950 21.135,951 17.65,952 29.397,953 75.81,954 25.145,955 28.924,956 6.763,957 294.278,959 294.278,960 147.544,961 36.145,964 211.88,965 118.543,968 50.172,969 97.373,972 294.278,973 57.28,974 126.409,977 294.278,978 32.949,979 96.585,980 18.011,981 36.145,982 294.278,983 57.28,984 126.409,986 0.585,987 0.35,988 0.192,989 0.106,990 22,991 9,992 0.091,993 5,994 2,995 1.222,996 3.852,997 222.47,998 0.222,999 18,1000 116.211,1005 17.416,1006 6.958,1007 3.241,1009 57.28,1010 15.975,1015 4.435,1017 18.011,1018 477.967,1019 36,1024 12.15,1028 -0.407,1031 51.461,1032 58.398,1034 0.243,1035 0.574,1036 0.787,1037 0.889,1038 0.907,1039 0.907,1040 4.883,1041 1.35,1042 5.861,1043 4.052,1044 4.443,1045 4.844,1046 2.401,1047 6.767,1048 4.388,1049 6.081,1050 1.121,1051 7.483,1052 3.122,1053 4.205,1054 4.635,1055 1.847,1056 8.118,1057 4.139,1058 7.404,1059 1,1060 9.229,1061 2.988,1062 6.159,1063 6.934,1064 3.514,1065 11.265,1066 6.065,1067 8.764,1068 0.681,1069 11.059,1070 2.136,1071 6.804,1072 7.51,1073 3.598,1074 13.551,1075 6.713,1076 10.164,1077 0.581,1078 12.95,1079 1.481,1080 8.277,1081 9.331,1082 4.911,1083 16.354,1084 8.169,1085 11.591,1086 0.196,1087 14.886,1088 1.253,1089 9.312,1090 10.281,1091 5.292,1092 18.942,1093 9.212,1094 13.043,1095 -0.229,1096 16.856,1097 0.382,1098 10.643,1099 11.901,1100 6.39,1101 21.671,1102 10.534,1103 3.685,1104 -0.58,1105 18.852,1106 -0.528,1107 11.842,1108 13.053,1109 6.934,1110 24.342,1111 11.735,1112 2.702,1113 14.943,1114 20.868,1115 -1.316,1116 13.14,1117 14.574,1118 7.906,1119 27.053,1120 13.027,1121 2.544,1122 8.716,1123 22.898,1124 4.16,1125 14.402,1126 15.841,1127 8.544,1128 29.748,1129 14.287,1130 2.386,1131 7.472,1132 24.939,1133 3.449,1134 15.697,1135 17.312,1136 9.44,1137 32.454,1138 15.576,1139 2.229,1140 7.106,1141 26.988,1142 3.312,1143 16.984,1144 18.646,1145 10.136,1146 35.156,1147 16.857,1148 1.941,1149 6.877,1150 29.043,1151 2.869,1152 18.282,1153 20.09,1154 10.987,1155 37.861,1156 18.148,1157 1.482,1158 5.34,1159 31.102,1160 2.515,1161 19.579,1162 21.463,1163 11.717,1164 40.564,1165 19.438,1166 8133,1167 11802,1168 19.474,1169 34.057,1170 44.104,1171 44.918,1172 45.327,1173 43.797,1174 43.797,1175 53.565,1176 7.636,1177 131.737,1178 42.6,1179 5.743,1180 5.899,1181 7.735,1182 5.757,1183 5.685,1184 7.16,1185 3.89,1186 23.402,1187 5.652,1188 11.152,1189 1.521,1190 1.549,1191 1.563,1192 1.51,1193 1.51,1194 1.847,1195 0.263,1196 4.543,1197 1.469,1198 4.1,1199 4.133,1200 4.038,1201 4.029,1202 7.435,1203 4.027,1204 3.913,1205 3.947,1206 3.838,1207 3.849,1208 4.825,1209 3.841,1210 3.719,1211 3.762,1212 3.635,1213 3.578,1214 4.748,1215 3.582,1216 3.488,1217 3.538,1218 3.408,1219 3.251,1220 4.417,1221 3.262,1222 3.389,1223 3.468,1224 3.194,1225 3.194,1226 4.168,1227 3.2,1228 3.178,1229 3.244,1230 3.019,1231 3.037,1232 3.991,1233 3.023,1234 3.076,1235 3.184,1236 2.863,1237 2.881,1238 3.91,1239 2.852,1240 2.99,1241 3.022,1242 2.819,1243 2.774,1244 3.674,1245 2.802,1246 0.165,1247 0.134,1248 0.274,1249 0.161,1250 0.127,1251 4.78,1252 0.143,1253 3.899,1254 0.075,1255 7.933,1256 0.515,1257 4.675,1258 0.126,1259 3.685,1260 4.16,1261 2.187,1262 14.943,1263 3.652,1264 1.916,1265 1.895,1266 2.04,1267 2.012,1268 1.312,1269 2.02,1270 1.904,1271 1.876,1272 2.012,1273 1.981,1274 1.218,1275 1.993,1276 1.677,1277 1.623,1278 1.892,1279 1.863,1280 1.15,1281 1.876,1282 1.591,1283 1.52,1284 1.843,1285 1.768,1286 1.071,1287 1.796,1288 1.362,1289 1.312,1290 1.609,1291 1.652,1292 0.828,1293 1.624,1294 1.269,1295 1.186,1296 1.565,1297 1.491,1298 0.685,1299 1.534,1300 1.098,1301 1.027,1302 1.449,1303 1.328,1304 0.595,1305 1.371,1306 0.908,1307 0.87,1308 1.181,1309 1.184,1310 0.3,1311 1.17,1312 4.078,1314 5.425,1315 3.045,1316 6.973,1317 5.587,1318 8.617,1319 7.832,1320 10.321,1322 4.596,1328 4.984,1329 2.818,1330 5.544,1332 0.574,1333 2.576,1334 0.172,1340 31.794,1341 72.104,1342 170.181,1343 233.403,1344 263.403,1345 268.913,1346 268.913,1347 38.493,1348 7.619,1349 41.57,1350 41.57,1351 22,1352 12.781,1353 3.807,1354 3,1355 38.3,1356 103,1357 106,1358 0.182,1359 193.318,1360 339.02,1361 463.455,1362 21604,1364 18.148,1365 0.698,1366 0.596,1367 18.148,1368 15.495,1369 12.598,1370 0.434,1371 0.327,1372 9.378,1373 12.232,1374 9.092,1375 7.524,1376 12.598,1377 9.47,1378 11.523,1379 0.274,1380 0.18,1381 11.523,1382 7.564,1383 10.028,1384 0.173,1385 0.105,1386 10.028,1387 6.101,1388 8.465,1389 0.107,1390 0.058,1391 8.465,1392 4.599,1393 6.925,1394 0.07,1395 0.033,1396 6.925,1397 3.244,1398 0.29,1399 78.008,1400 0.227,1401 25.314,1402 0.489,1403 142,1404 341.449,1405 152.889,1406 331.33,1407 461.54,1408 312,1409 171,1410 347.064,1411 180.978,1412 351.837,1413 518.65,1414 332,1415 7.161}
{0 CHEMBL286727,1 0.991,2 3.5,3 2.802,4 7.853,5 36.14,6 5.899,7 0.75,8 2.913,9 3.048,10 2.287,11 2.55,12 3.892,13 2.454,14 3.385,15 3.602,16 2.503,17 2.845,18 4.236,19 2.715,20 3.477,21 3.686,22 2.306,23 2.858,24 4.326,25 2.671,26 3.534,27 3.863,28 1.726,29 2.567,30 4.116,31 2.281,32 3.015,33 3.336,34 0.801,35 1.994,36 3.584,37 1.644,38 2.661,39 3.13,40 0.101,41 1.155,42 2.773,43 0.713,56 0.017,57 0.213,58 4.143,59 1.894,60 4.039,61 2.679,62 0.026,63 0.333,64 6.483,65 2.964,66 5.851,67 4.193,68 0.029,69 0.366,70 7.115,71 3.253,72 7.523,73 4.602,74 0.028,75 0.359,76 6.991,77 3.196,78 6.803,79 4.521,80 0.016,81 0.209,82 4.06,83 1.856,84 4.542,85 2.626,86 0.01,87 0.128,88 2.486,89 1.136,90 2.49,91 1.608,104 5,105 10,106 0.226,107 0.5,108 0.576,109 0.652,110 0.652,111 0.652,112 2.263,113 1.058,114 -4.17,115 -4.11,116 -3.89,121 44.4,122 2,144 4,145 2,176 8,187 10,200 7,214 3,281 18,282 5.138,283 5.138,284 5.138,285 5.138,286 5.138,287 4.309,288 4.851,289 3.174,290 5.138,291 3.949,292 3.949,293 3.949,294 3.949,295 3.949,296 2.815,297 4.412,298 1.528,299 3.949,300 3.179,301 1.973,302 1.639,303 1.306,304 1.306,305 1.306,306 2.805,312 1,313 54,314 1,318 22.133,325 0.5,326 1.315,329 1,330 0.5,331 0.83,332 0.7,334 1,335 1,336 0.72,337 16,338 28,339 4.007,340 2.761,341 5.343,342 3.596,343 2.596,344 3.621,346 6.939,347 2.596,348 3.232,349 2.147,350 4.562,351 2.879,352 1.879,353 2.481,355 4.84,356 1.879,357 2.658,358 1.227,359 3.471,360 2.183,361 1.183,362 1.732,364 2.57,365 1.183,366 1,367 -0.11,368 2,369 0.653,370 -0.347,371 -0.445,373 -0.751,374 -0.347,375 0.79,376 -0.165,377 2,378 0.484,379 -0.516,380 -0.621,382 -1.233,383 -0.516,384 0.045,385 -1.143,386 1.186,387 -0.263,388 -1.263,389 -1.732,391 -3.276,392 -1.263,393 -0.232,394 -1.357,395 1,396 -0.532,397 -1.532,398 -2.036,400 -3.621,401 -1.532,402 -0.5,403 -2,404 0.438,405 -1,406 -2,407 -3,409 -5.468,410 -2,474 4,475 0.5,476 0.212,477 0.027,478 10,479 1.25,480 6,481 0.75,482 4,483 0.5,484 4.135,485 0.517,486 8.6,487 0.478,488 4.29,489 0.536,490 2.081,491 0.26,492 1.706,493 0.213,494 0.25,496 0.25,501 1.063,502 1.063,503 1.063,504 1.063,505 1.291,506 1.063,507 0.893,508 0.893,509 0.893,510 0.893,511 0.629,512 0.893,513 1.391,514 1.391,515 1.391,516 1.391,517 1.541,518 1.391,519 0.956,520 0.956,521 0.956,522 0.956,523 0.82,524 0.956,525 1.275,526 1.275,527 1.275,528 1.275,529 1.453,530 1.275,549 2,551 0.667,552 0.5,553 0.222,559 218,560 401,561 1.861,562 55.6,563 6,564 4,572 1.303,573 1.714,574 2.035,575 -0.946,582 17.839,583 0.991,584 2.197,585 2.53,586 2.864,587 2.864,588 2.864,589 1,590 1.561,591 2.984,592 1.892,593 52.98,594 4.664,595 284.491,600 75.059,601 1.5,602 2.906,603 0.25,605 0.067,606 0.071,607 0.074,613 0.462,614 1,615 0.88,616 0.875,617 21.708,622 -0.203,624 0.11,625 0.11,626 0.11,627 0.11,628 0.278,629 0.11,630 -0.414,631 -0.414,632 -0.414,633 -0.414,634 -0.493,635 -0.414,636 -0.062,637 -0.062,638 -0.063,639 -0.063,640 0.036,641 -0.062,642 -0.4,643 -0.4,644 -0.4,645 -0.4,646 -0.487,647 -0.4,648 0.8,649 0.8,650 0.8,651 0.8,652 0.766,653 0.8,666 0.329,667 0.167,668 0.75,669 1.875,670 0.968,671 1.115,672 2.942,673 8.653,674 0.656,675 2.197,676 2.398,677 2.398,678 2.485,679 2.398,680 1.792,685 2.383,686 0.591,687 106.18,688 2.197,689 3.611,690 4.344,691 5.142,692 5.889,693 6.691,694 7.441,695 8.244,696 8.995,697 9.798,715 4,720 2,722 6,741 18,743 6,744 1,745 8,747 18,748 8,749 6,750 2,751 4,756 1,757 1,763 2,772 6,773 2,793 10,808 1,829 1,859 1,864 2,868 8,901 4.667,902 3.833,903 1.833,904 1.056,907 1.233,908 1.298,909 0.923,910 1.336,911 5.376,912 2.485,913 3.02,914 3.409,915 3.853,916 4.202,917 3.596,922 0.333,923 7,924 2.94,925 0.063,926 1.094,927 0.084,929 7.417,931 5.792,932 0.02,933 4.286,934 0.041,935 0.005,936 1.917,937 15.333,938 0.072,941 117.711,942 61.927,948 61.927,949 117.711,951 17.65,953 37.905,955 6.371,957 117.711,959 117.711,960 61.927,964 117.711,968 17.65,969 44.276,972 117.711,974 61.927,977 117.711,978 6.371,979 55.555,982 117.711,984 61.927,986 0.563,987 0.284,988 0.139,989 0.06,990 5,991 2,995 1,996 1.918,997 33.496,999 6,1000 14,1005 5.359,1006 1.994,1007 1.353,1010 8.449,1015 2.676,1018 179.638,1019 11,1031 17.418,1032 20.076,1034 0.238,1035 0.527,1036 0.607,1037 0.687,1038 0.687,1039 0.687,1040 3.597,1041 -2,1042 4.29,1043 -3.621,1044 3.045,1045 3.689,1047 4.905,1048 3.045,1049 4.781,1051 5.733,1052 -5.468,1053 2.565,1054 3.332,1056 5.38,1057 2.565,1058 6.039,1060 7.265,1062 4.443,1063 5.791,1065 8.318,1066 4.443,1067 7.327,1069 8.839,1071 4.615,1072 6.086,1074 9.47,1075 4.615,1076 8.637,1078 10.439,1080 6.075,1081 8.115,1083 11.951,1084 6.075,1085 9.963,1087 12.054,1089 6.592,1090 8.766,1092 13.428,1093 6.592,1094 11.301,1096 13.68,1098 7.831,1099 10.546,1101 15.69,1102 7.831,1103 2.596,1105 15.315,1107 8.535,1108 11.412,1110 17.348,1111 8.535,1112 1.879,1113 6.939,1114 16.956,1116 9.653,1117 13.033,1119 19.486,1120 9.653,1121 1.183,1122 4.84,1123 18.603,1124 3.621,1125 10.463,1126 14.036,1128 21.252,1129 10.463,1130 -0.347,1131 2.57,1132 20.254,1133 2.481,1134 11.513,1135 15.552,1137 23.314,1138 11.513,1139 -0.516,1140 -0.751,1141 21.909,1142 1.732,1143 12.382,1144 16.646,1146 25.145,1147 12.382,1148 -1.263,1149 -1.233,1150 23.567,1151 -0.445,1152 13.393,1153 18.09,1155 27.161,1156 13.393,1157 -1.532,1158 -3.276,1159 25.227,1160 -0.621,1161 14.298,1162 19.245,1164 29.033,1165 14.298,1166 270,1167 390,1168 4.97,1169 11.807,1170 11.545,1171 11.25,1172 11.75,1173 11.316,1174 11.316,1175 15.669,1177 28.697,1178 11.316,1179 4.507,1180 4.761,1181 4.904,1182 4.596,1183 4.596,1184 6.621,1186 12.407,1187 4.596,1188 3.565,1189 1.443,1190 1.406,1191 1.469,1192 1.415,1193 1.415,1194 1.959,1196 3.587,1197 1.415,1198 3.929,1199 3.961,1200 3.854,1201 3.876,1202 4.751,1203 3.867,1204 3.266,1205 3.35,1206 3.067,1207 3.125,1208 3.966,1209 3.101,1210 3.058,1211 3.147,1212 2.849,1213 2.909,1214 3.813,1215 2.884,1216 2.569,1217 2.677,1218 2.266,1219 2.363,1220 3.223,1221 2.324,1222 2.429,1223 2.537,1224 2.136,1225 2.229,1226 3.085,1227 2.191,1228 1.539,1229 1.746,1230 0.954,1231 1.14,1232 1.892,1233 1.064,1234 0.964,1235 1.207,1236 0.478,1237 0.636,1238 1.286,1239 0.571,1240 0.954,1241 1.207,1242 0.281,1243 0.51,1244 1.143,1245 0.418,1246 0.501,1247 0.345,1248 0.668,1249 0.45,1250 0.325,1251 4.007,1252 0.453,1253 2.761,1255 5.343,1256 0.867,1257 3.596,1258 0.325,1259 2.596,1260 3.621,1262 6.939,1263 2.596,1264 1.931,1265 1.902,1266 2.066,1267 2.01,1268 1.169,1269 2.031,1270 1.303,1271 1.226,1272 1.639,1273 1.507,1274 0.719,1275 1.557,1276 1.096,1277 1.014,1278 1.45,1279 1.312,1280 0.492,1281 1.365,1282 0.616,1283 0.512,1284 1.004,1285 0.859,1286 0.072,1287 0.915,1288 0.477,1289 0.374,1290 0.879,1291 0.726,1293 0.784,1296 0.338,1297 0.085,1299 0.184,1312 2.833,1314 4.043,1316 5.451,1318 6.948,1320 8.48,1322 4.208,1340 10.634,1341 17.839,1342 39.549,1343 45.549,1344 51.549,1345 51.549,1346 51.549,1347 5.167,1348 4.143,1351 6,1352 10.405,1353 2.807,1354 2,1355 11.963,1356 13,1357 6,1358 0.612,1359 71.334,1360 115.78,1361 165.814,1362 182,1364 5.983,1365 0.748,1366 0.664,1367 5.983,1368 5.309,1369 3.788,1370 0.473,1371 0.353,1372 2.821,1373 3.788,1374 2.616,1375 2.281,1376 3.788,1377 2.821,1378 3.377,1379 0.338,1380 0.216,1381 3.377,1382 2.158,1383 2.199,1384 0.22,1385 0.117,1386 2.199,1387 1.174,1388 1.737,1389 0.158,1390 0.073,1391 1.737,1392 0.807,1393 0.971,1394 0.097,1395 0.036,1396 0.971,1397 0.359,1398 0.834,1399 22.726,1400 0.449,1401 7.614,1402 1.945,1403 36,1404 70,1405 36,1406 75.067,1407 102.88,1408 70,1409 38,1410 74,1411 38,1412 80.86,1413 110.3,1414 74,1415 5.31}
{0 CHEMBL286990,1 1.738,2 8.056,3 0.822,4 0.676,5 64.609,6 7.352,7 0.278,8 3.66,9 3.789,10 3.183,11 2.946,12 4.926,13 2.972,14 4.177,15 4.383,16 3.487,17 3.307,18 5.39,19 3.324,20 4.363,21 4.543,22 3.546,23 3.479,24 5.564,25 3.456,26 4.677,27 4.933,28 3.372,29 3.403,30 5.881,31 3.333,32 4.169,33 4.41,34 3.17,35 3.138,36 5.26,37 3.094,38 4.274,39 4.534,40 3.043,41 3.122,42 5.408,43 3.051,44 3.986,45 4.215,46 3.096,47 3.103,48 5.094,49 3.045,50 4.107,51 4.352,52 3.027,53 2.998,54 5.365,55 2.942,56 0.232,57 0.457,58 7.886,59 2.466,60 13.265,61 3.817,62 0.528,63 0.66,64 15.042,65 3.632,66 58.011,67 5.885,68 0.433,69 0.727,70 17.124,71 5.006,72 20.991,73 7.618,74 1.288,75 0.638,76 28.574,77 5.024,78 133.773,79 8.84,80 0.44,81 0.508,82 15.331,83 3.509,84 34.525,85 5.946,86 0.812,87 0.499,88 18.724,89 3.564,90 77.448,91 6.118,92 0.27,93 0.502,94 12.157,95 3.54,96 23.457,97 5.674,98 0.479,99 0.434,100 14.753,101 3.11,102 36.409,103 5.425,104 48,105 25,106 0.325,107 0.635,108 0.788,109 0.799,110 0.809,111 0.809,112 2.958,113 0.906,114 -1.78,115 -1.84,116 -1.86,121 28.6,122 2,126 1,127 1,128 1,132 1,147 1,153 1,157 1,163 1,168 2,172 1,179 2,180 2,182 1,187 1,191 2,192 6,194 1,205 2,208 1,209 1,213 1,218 2,219 2,231 2,235 1,246 1,253 2,255 1,256 2,258 2,268 2,272 1,274 2,281 360,282 11.361,283 11.361,284 11.361,285 11.361,286 11.361,287 10.012,288 17.883,289 6.629,290 11.82,291 8.765,292 8.765,293 8.765,294 8.765,295 8.765,296 6.974,297 26.71,298 2.954,299 9.44,300 3.392,301 1.739,302 0.922,303 0.865,304 0.808,305 0.808,306 3.578,311 1,312 1,313 279,314 3.937,317 58.456,325 1.173,326 23.465,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 42,338 145,339 4.498,340 4,341 7.206,342 4.298,343 3.331,344 4.086,345 2.612,346 11.924,347 3.216,348 4.397,349 3.631,350 6.47,351 3.939,352 3.022,353 3.857,354 1.697,355 10.002,356 2.768,357 3.191,358 3.096,359 4.954,360 2.804,361 1.918,362 2.349,363 1.041,364 5.422,365 1.699,366 3.066,367 2.683,368 4.395,369 2.477,370 1.532,371 2.131,373 3.62,374 1.445,375 3.041,376 2.238,377 4.109,378 2.42,379 1.453,380 2.111,382 3.423,383 1.404,384 2.366,385 1.647,386 3.377,387 1.911,388 1.032,389 1.243,391 2.285,392 0.898,393 2.169,394 1.424,395 3.115,396 1.806,397 0.856,398 1.117,400 1.556,401 0.81,402 1.167,403 1,404 2.776,405 1.024,406 0.091,407 0.095,409 0.186,410 0.084,411 1,412 0.694,413 2,414 0.5,415 -0.42,416 -0.459,418 -0.86,419 -0.383,420 0.7,421 0.363,422 2,423 0.057,424 -0.867,425 -1,427 -1.694,428 -0.801,429 0.402,430 -0.282,431 2,433 -1,434 -1.054,436 -2,437 -1,438 0.062,439 -0.955,440 2,442 -1,443 -1.333,445 -3,446 -1,448 -1,449 1.67,450 -0.266,451 -1.189,452 -1.718,454 -3.152,455 -1.089,456 -0.313,457 -1.062,458 1.395,459 -0.58,460 -1.509,461 -1.933,463 -4.374,464 -1.405,465 -0.343,466 -1.379,467 1,468 -0.726,469 -1.662,470 -2,471 -0.612,472 -4.887,473 -1.552,474 7.933,475 0.441,476 0.619,477 0.034,478 19.75,479 1.097,480 7.5,481 0.417,482 12.25,483 0.681,484 13.869,485 0.771,486 22.367,487 0.639,488 14.94,489 0.83,490 4.307,491 0.239,492 4.074,493 0.226,494 0.315,495 0.063,496 0.214,501 0.61,502 1.921,503 0.789,504 1.542,505 0.603,506 1.261,507 0.868,508 1.061,509 0.792,510 0.806,511 0.44,512 0.756,513 0.879,514 1.459,515 1.129,516 1.662,517 0.68,518 1.473,519 1.293,520 0.716,521 1.106,522 0.687,523 1.392,524 0.849,525 0.864,526 1.126,527 0.983,528 1.21,529 0.603,530 1.117,531 1.199,532 0.6,533 1.078,534 0.547,535 1.205,536 0.762,537 0.597,538 1.376,539 0.801,540 1.362,541 0.598,542 1.162,543 0.908,544 1.124,545 1.033,546 1.208,547 1.101,548 1.156,549 5,551 3.111,552 1.417,553 0.65,554 0.438,555 0.353,556 0.363,557 0.211,558 0.04,559 2395,560 9201,561 1.805,562 48.6,564 5,565 3,566 2,567 1,569 6,572 1.585,573 1.624,574 3,575 -0.061,577 1,579 1,582 60.819,583 1.738,584 3.39,585 4.207,586 4.265,587 4.322,588 4.322,589 2.441,590 3.725,591 4.144,592 3.157,593 483.067,594 7.023,595 4740.58,597 1,600 179.525,601 1.772,602 4.03,603 0.278,605 0.124,606 0.059,607 0.036,608 0.027,609 0.025,610 0.023,611 0.016,612 0.006,613 0.595,614 0.5,615 1,616 2.159,617 77.389,618 0.159,619 -0.434,620 0.06,621 -0.223,622 0.011,623 -0.144,624 -0.006,625 0.136,626 0.136,627 0.267,628 0.163,629 0.256,630 -0.08,631 -0.162,632 -0.251,633 -0.473,634 -0.013,635 -0.41,636 -0.08,637 0.023,638 -0.059,639 0.146,640 -0.166,641 0.049,642 -0.05,643 -0.07,644 -0.049,645 -0.207,646 0.005,647 -0.123,648 -0.109,649 0.222,650 -0.061,651 0.321,652 -0.151,653 0.158,654 0.039,655 -0.214,656 0.073,657 -0.189,658 0.037,659 -0.062,660 -0.013,661 -0.143,662 -0.075,663 -0.256,664 -0.044,665 -0.191,666 2.376,667 3.697,668 0.278,669 12.222,670 1.027,671 1.158,672 0.552,673 0.304,674 0.594,675 2.944,676 3.258,677 3.401,678 3.401,679 3.332,680 3.258,681 3.296,682 3.296,683 3.178,684 2.639,685 5.055,686 0.582,687 257.31,688 2.944,689 4.466,690 5.273,691 6.129,692 6.963,693 7.819,694 8.66,695 9.516,696 10.36,697 11.216,698 11.4,706 1,707 1,708 1,710 1,715 2,720 1,721 2,722 5,726 1,741 35,743 8,745 18,747 35,748 10,749 3,752 1,756 1,757 1,763 2,772 4,773 6,774 1,777 3,779 1,782 2,784 1,785 1,790 1,793 17,794 5,795 1,796 8,799 1,802 4,803 1,808 1,809 4,828 1,854 1,857 1,858 1,859 1,864 3,868 18,875 1,876 2,878 1,882 1,893 11.4,897 1,898 1,899 2,901 11.083,902 7.05,903 4.097,904 1.822,907 1.323,908 1.236,909 0.828,910 4.954,911 6.932,912 3.199,913 3.744,914 4.133,915 4.464,916 4.514,917 4.526,918 4.655,919 4.727,920 4.819,921 4.629,922 1,923 24,924 6.582,926 2.644,927 0.026,929 8.301,931 11.942,933 8.9,936 2.801,937 50.417,941 188.338,942 64.273,943 22.716,945 104.552,948 64.273,949 292.89,950 22.716,951 31.717,952 8.756,953 9.047,954 47.817,955 67,956 35.313,957 129.482,958 50.747,959 188.338,960 86.989,961 104.552,964 117.711,965 113.432,966 61.747,968 52.928,969 23.114,970 10.947,972 188.338,973 127.268,974 64.273,977 188.338,978 11.084,979 62.657,981 117.8,982 188.338,983 127.268,984 64.273,986 0.585,987 0.338,988 0.141,989 0.065,990 10,991 6,992 0.171,993 6,995 1,996 2.894,997 113.467,999 5,1000 71.059,1005 14.761,1006 6.041,1007 3.859,1009 117.8,1010 3.495,1015 0.622,1016 3.414,1017 42.806,1018 379.879,1019 23.5,1021 -0.376,1024 21.395,1026 1.266,1027 2.954,1031 35.96,1032 40.53,1034 0.339,1035 0.661,1036 0.82,1037 0.831,1038 0.843,1039 0.843,1040 4.434,1041 0.091,1042 5.333,1043 1.556,1044 3.932,1045 4.425,1046 3.002,1047 6.192,1048 3.795,1049 5.676,1050 -0.42,1051 6.959,1052 0.186,1053 3.892,1054 4.494,1055 2.361,1056 7.588,1057 3.743,1058 7.02,1059 -0.867,1060 8.711,1061 -0.86,1062 5.659,1063 6.608,1064 4.415,1065 10.52,1066 5.409,1067 8.406,1068 -1,1069 10.535,1070 -1.694,1071 6.415,1072 7.477,1073 4.506,1074 12.657,1075 6.158,1076 9.824,1077 -1,1078 12.402,1079 -2,1080 7.772,1081 9.132,1082 6.071,1083 15.228,1084 7.439,1085 11.265,1086 -1.189,1087 14.297,1088 -3,1089 8.807,1090 10.316,1091 6.556,1092 17.582,1093 8.456,1094 12.721,1095 -1.509,1096 16.209,1097 -3.152,1098 10.04,1099 11.808,1100 7.85,1101 20.064,1102 9.634,1103 3.331,1104 -1.662,1105 18.134,1106 -4.374,1107 11.169,1108 13.114,1109 8.548,1110 22.487,1111 10.738,1112 3.022,1113 11.924,1114 20.068,1115 -4.887,1116 12.366,1117 14.545,1118 9.695,1119 24.95,1120 11.891,1121 1.918,1122 10.002,1123 22.008,1124 4.086,1125 13.528,1126 15.9,1127 10.509,1128 27.397,1129 13.024,1130 1.532,1131 5.422,1132 23.954,1133 3.857,1134 14.715,1135 17.306,1136 11.574,1137 29.859,1138 14.173,1139 1.453,1140 3.62,1141 25.902,1142 2.349,1143 15.891,1144 18.682,1145 12.452,1146 32.318,1147 15.319,1148 1.032,1149 3.423,1150 27.854,1151 2.131,1152 17.076,1153 20.079,1154 13.472,1155 34.782,1156 16.471,1157 0.856,1158 2.285,1159 29.809,1160 2.111,1161 18.258,1162 21.464,1163 14.386,1164 37.247,1165 17.623,1166 2651,1167 5269,1168 10.633,1169 20.79,1170 27.179,1171 29.806,1172 28.363,1173 26.423,1174 26.47,1175 33.979,1176 10.701,1177 76.838,1178 24.648,1179 5.399,1180 5.846,1181 6.965,1182 5.392,1183 5.307,1184 6.794,1185 4.612,1186 18.492,1187 5.014,1188 12.408,1189 1.51,1190 1.656,1191 1.576,1192 1.468,1193 1.471,1194 1.888,1195 0.594,1196 4.269,1197 1.369,1198 4.032,1199 4.095,1200 3.984,1201 3.809,1202 7.813,1203 3.845,1204 3.89,1205 3.931,1206 3.838,1207 3.63,1208 6.999,1209 3.659,1210 3.328,1211 3.382,1212 3.223,1213 2.987,1214 6.546,1215 3.016,1216 3.25,1217 3.315,1218 3.159,1219 2.953,1220 4.865,1221 2.986,1222 3.172,1223 3.237,1224 2.998,1225 2.727,1226 4.506,1227 2.793,1228 2.973,1229 3.066,1230 2.721,1231 2.66,1232 4.053,1233 2.699,1234 2.874,1235 3.009,1236 2.499,1237 2.618,1238 4.036,1239 2.57,1240 2.673,1241 2.792,1242 2.386,1243 2.427,1244 3.756,1245 2.4,1246 0.25,1247 0.222,1248 0.4,1249 0.239,1250 0.185,1251 4.498,1252 0.227,1253 4,1254 0.145,1255 7.206,1256 0.662,1257 4.298,1258 0.179,1259 3.331,1260 4.086,1261 2.612,1262 11.924,1263 3.216,1264 1.773,1265 1.727,1266 1.965,1267 2.066,1268 1.189,1269 2.015,1270 1.637,1271 1.571,1272 1.795,1273 1.906,1274 0.925,1275 1.87,1276 1.537,1277 1.47,1278 1.72,1279 1.781,1280 0.829,1281 1.769,1282 1.083,1283 1.015,1284 1.417,1285 1.484,1286 0.469,1287 1.413,1288 0.968,1289 0.887,1290 1.36,1291 1.423,1292 0.464,1293 1.367,1294 0.934,1295 0.858,1296 1.336,1297 1.27,1298 0.351,1299 1.308,1300 0.911,1301 0.804,1302 1.176,1303 1.239,1304 0.292,1305 1.292,1306 0.729,1307 0.621,1308 0.993,1309 1.054,1311 1.091,1312 3.611,1314 4.92,1315 2.398,1316 6.409,1317 4.727,1318 7.974,1319 6.783,1320 9.577,1322 4.784,1327 8.527,1328 0.15,1330 5.311,1334 -1.124,1340 20.369,1341 60.819,1342 118.664,1343 147.26,1344 149.26,1345 151.26,1346 151.26,1347 48.072,1348 5.609,1349 96.45,1350 96.45,1351 5,1352 11.772,1353 3.17,1354 2.7,1355 41.891,1356 55,1357 47,1358 0.389,1359 132.217,1360 228.22,1361 314.369,1362 1435,1364 13.759,1365 0.764,1366 0.592,1367 13.759,1368 10.66,1369 8.381,1370 0.466,1371 0.302,1372 5.264,1373 7.636,1374 5.036,1375 4.283,1376 8.381,1377 5.437,1378 7.803,1379 0.312,1380 0.186,1381 7.803,1382 4.645,1383 5.91,1384 0.204,1385 0.089,1386 5.91,1387 2.578,1388 3.69,1389 0.127,1390 0.048,1391 3.69,1392 1.384,1393 2.452,1394 0.091,1395 0.026,1396 2.452,1397 0.709,1398 0.606,1399 55.708,1400 0.307,1401 18.212,1402 1.07,1403 86,1404 350.624,1405 102.544,1406 324.128,1407 409.64,1408 294,1409 97,1410 289.295,1411 115.211,1412 284.866,1413 395.29,1414 258,1415 4.975}
{0 CHEMBL287691,1 1.464,2 8.263,3 2.348,4 5.515,5 74.528,6 6.676,7 0.286,8 3.756,9 3.883,10 3.24,11 3.257,12 4.729,13 3.224,14 4.358,15 4.554,16 3.622,17 3.694,18 5.331,19 3.63,20 4.609,21 4.838,22 3.608,23 3.844,24 5.44,25 3.739,26 4.63,27 4.857,28 3.48,29 3.822,30 5.492,31 3.681,32 4.633,33 4.922,34 3.324,35 3.669,36 5.419,37 3.507,38 4.358,39 4.621,40 3.114,41 3.419,42 5.201,43 3.277,44 4.133,45 4.383,46 2.947,47 3.206,48 5.029,49 3.073,50 4.029,51 4.295,52 2.689,53 2.938,54 5.028,55 2.809,56 0.023,57 0.564,58 9.223,59 3.713,60 5.553,61 5.211,62 0.333,63 0.933,64 17.864,65 6.246,66 29.076,67 9.148,68 0.217,69 1.107,70 23.059,71 8.284,72 23.813,73 11.936,74 0.199,75 1.086,76 23.504,77 8.909,78 31.61,79 12.591,80 0.216,81 1.012,82 24.055,83 8.16,84 29.815,85 12.224,86 0.259,87 0.759,88 18.411,89 6.187,90 24.813,91 8.977,92 0.122,93 0.626,94 14.461,95 4.841,96 17.516,97 7.13,98 0.299,99 0.519,100 13.698,101 3.676,102 30.361,103 5.505,104 16,105 30,106 0.267,107 0.601,108 0.84,109 0.881,110 0.881,111 0.881,112 3.011,113 0.999,114 -3.21,115 -3.2,116 -3.08,121 38.5,122 1,123 2,124 1,126 1,127 2,129 1,144 3,145 2,146 1,161 1,176 7,179 1,180 6,183 2,187 10,192 4,200 8,206 6,211 2,214 5,219 5,224 2,227 3,231 1,232 2,237 2,239 2,244 2,249 2,251 1,255 1,256 1,259 1,281 392,282 13.05,283 13.05,284 13.05,285 13.05,286 13.05,287 12.195,288 19.689,289 7.506,290 13.386,291 10.241,292 10.241,293 10.241,294 10.241,295 10.241,296 8.82,297 22.918,298 3.412,299 10.685,300 3.822,301 1.987,302 0.673,303 0.449,304 0.449,305 0.449,306 3.688,310 1,311 1,312 1,313 335,314 3,317 63.066,318 38.1,320 51.438,321 55.717,324 78.55,325 1.357,326 13.882,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 41,338 157,339 4.469,340 3.664,341 6.875,342 4.267,343 3.284,344 4.007,345 2.186,346 11.519,347 3.232,348 3.905,349 3.516,350 6.012,351 3.622,352 2.678,353 3.139,354 0.8,355 8.536,356 2.526,357 3.643,358 2.857,359 5.424,360 3.343,361 2.403,362 2.79,363 0.366,364 7.124,365 2.235,366 3.312,367 2.495,368 5.12,369 2.935,370 1.966,371 2.502,373 5.782,374 1.888,375 3.047,376 2.134,377 4.747,378 2.838,379 1.847,380 2.167,382 5.21,383 1.827,384 2.462,385 1.488,386 4.433,387 2.299,388 1.328,389 1.457,391 3.886,392 1.286,393 2.261,394 1.129,395 3.791,396 2.076,397 1.085,398 1.24,400 2.729,401 1.075,402 1.677,403 1.106,404 3.151,405 1.541,406 0.568,407 0.615,409 1.22,410 0.55,411 1.502,412 0.841,413 2.891,414 1.322,415 0.4,416 0.42,418 0.607,419 0.365,420 1.323,421 0.601,422 2.605,423 1.126,424 0.146,425 0.159,427 0.235,428 0.142,429 0.956,430 0.26,431 2.379,432 0.66,433 -0.32,434 -0.385,436 -0.745,437 -0.307,438 0.597,439 -0.376,440 2.22,441 0.171,442 -0.826,443 -1.047,445 -2.17,446 -0.821,447 0.429,448 -0.691,449 2,450 0.101,451 -0.893,452 -1.079,454 -2.597,455 -0.878,456 -0.139,457 -0.869,458 1.933,459 -0.277,460 -1.256,461 -1.406,463 -3.007,464 -1.218,465 -0.214,466 -1.056,467 1.608,468 -0.446,469 -1.41,470 -1.598,472 -3.495,473 -1.366,474 8.967,475 0.472,476 0.448,477 0.024,478 20.5,479 1.079,480 8,481 0.421,482 12.5,483 0.658,484 16.438,485 0.865,486 21.633,487 0.555,488 12.647,489 0.666,490 3.84,491 0.202,492 5.384,493 0.283,494 0.149,496 0.379,501 0.783,502 1.46,503 0.87,504 1.234,505 0.57,506 1.084,507 0.638,508 0.971,509 0.888,510 0.926,511 0.382,512 0.925,513 0.985,514 0.977,515 1.011,516 1.005,517 0.651,518 1.004,519 0.974,520 1.196,521 1.118,522 1.236,523 0.966,524 1.217,525 0.77,526 0.972,527 0.859,528 0.972,529 0.759,530 0.934,531 1.094,532 0.922,533 0.992,534 0.961,535 0.947,536 0.971,537 1.038,538 1.269,539 1.033,540 1.217,541 1.268,542 1.144,543 1.705,544 0.829,545 1.239,546 0.879,547 2.296,548 0.978,549 4,550 0.017,551 2.222,552 1.451,553 1.023,554 0.49,555 0.375,556 0.244,557 0.143,558 0.065,559 3080,560 7001,561 2.081,562 51.3,564 11,567 1,569 8,572 1.603,573 1.932,574 3.036,575 -0.301,577 1,579 1,582 57.089,583 1.464,584 3.298,585 4.612,586 4.836,587 4.836,588 4.836,589 2.55,590 4.248,591 4.213,592 3.127,593 534.649,594 7.182,595 5091.91,596 1,597 1,599 1,600 206.131,601 1.462,602 4.171,603 0.19,604 0.006,605 0.074,606 0.05,607 0.043,608 0.024,609 0.023,610 0.019,611 0.016,612 0.013,613 0.458,614 0.83,615 1,616 1.433,617 81.497,618 -0.013,619 -0.187,620 0.07,621 -0.07,622 -0.008,624 0.274,625 0.195,626 0.083,627 0.115,628 0.236,629 0.083,630 -0.102,631 0.072,632 -0.052,633 0.02,634 0.02,635 0.001,636 -0.087,637 -0.208,638 -0.172,639 -0.189,640 -0.042,641 -0.197,642 0.02,643 -0.064,644 0.094,645 -0.016,646 0.025,647 0.042,648 -0.008,649 -0.006,650 -0.007,651 0.003,652 -0.074,653 -0.004,654 -0.033,655 -0.318,656 -0.059,657 -0.241,658 -0.112,659 -0.169,660 -0.102,661 0.094,662 -0.175,663 -0.027,664 -0.231,665 -0.106,666 2.073,667 4.266,668 0.632,669 14.061,670 0.995,671 1.132,672 1.983,673 3.93,674 0.635,675 3.091,676 3.434,677 3.761,678 4.078,679 4.29,680 4.454,681 4.625,682 4.691,683 4.644,684 4.605,685 4.776,686 0.595,687 260.37,688 3.091,689 4.635,690 5.509,691 6.412,692 7.313,693 8.227,694 9.139,695 10.058,696 10.976,697 11.899,698 5.1,701 1,705 1,715 3,720 3,722 6,737 1,741 39,743 7,744 1,745 21,747 41,748 15,749 6,750 3,751 3,756 3,757 6,763 1,767 3,768 1,770 3,772 7,773 8,774 1,777 1,782 1,786 1,789 1,790 1,793 20,794 4,795 1,796 4,802 2,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 2,868 19,876 4,877 1,878 1,880 2,881 1,893 5.1,896 1,898 1,901 9.833,902 7.45,903 4.278,904 2.614,907 1.327,908 1.194,909 0.957,910 3.397,911 8.149,912 3.258,913 3.773,914 4.266,915 4.791,916 5.28,917 5.539,918 5.885,919 6.154,920 6.154,921 6.211,922 0.833,923 29,924 7.051,926 2.989,927 0.026,929 7.623,931 13.884,933 11.827,936 2.123,937 40.333,938 0.002,941 223.651,942 73.308,943 21.135,945 36.145,948 73.308,949 259.796,950 21.135,951 17.222,952 27.291,953 28.429,954 25.145,955 25.739,956 6.763,957 223.651,959 223.651,960 94.443,961 36.145,964 129.482,965 130.314,968 39.241,969 55.202,972 223.651,973 57.28,974 73.308,977 223.651,978 27.658,979 48.775,980 18.011,981 36.145,982 223.651,983 57.28,984 73.308,986 0.578,987 0.353,988 0.191,989 0.104,990 16,991 7,992 0.073,993 3,994 2,995 1.333,996 3.123,997 143.824,998 0.333,999 12,1000 80.711,1005 12.795,1006 5.044,1007 2.204,1009 57.28,1010 6.055,1015 3.438,1017 18.011,1018 354.239,1019 25,1024 11.266,1028 -0.406,1031 38.811,1032 44.152,1034 0.277,1035 0.624,1036 0.873,1037 0.915,1038 0.915,1039 0.915,1040 4.527,1041 0.568,1042 5.509,1043 2.729,1044 4.111,1045 4.454,1046 2.351,1047 6.368,1048 4.037,1049 5.698,1050 0.4,1051 7.096,1052 1.22,1053 3.761,1054 4.27,1055 1.847,1056 7.357,1057 3.657,1058 7.001,1059 0.146,1060 8.781,1061 0.607,1062 5.746,1063 6.499,1064 3.504,1065 10.486,1066 5.609,1067 8.335,1068 -0.32,1069 10.523,1070 0.235,1071 6.236,1072 7.108,1073 3.598,1074 12.332,1075 6.08,1076 9.703,1077 -0.826,1078 12.304,1079 -0.745,1080 7.695,1081 8.863,1082 4.907,1083 14.992,1084 7.518,1085 11.093,1086 -0.893,1087 14.113,1088 -2.17,1089 8.566,1090 9.837,1091 5.29,1092 17.194,1093 8.379,1094 12.5,1095 -1.256,1096 15.942,1097 -2.597,1098 9.834,1099 11.407,1100 6.387,1101 19.705,1102 9.633,1103 3.284,1104 -1.41,1105 17.789,1106 -3.007,1107 10.879,1108 12.568,1109 6.93,1110 22.051,1111 10.67,1112 2.678,1113 11.519,1114 19.649,1115 -3.495,1116 12.081,1117 14.053,1118 7.902,1119 24.513,1120 11.862,1121 2.403,1122 8.536,1123 21.521,1124 4.007,1125 13.202,1126 15.314,1127 8.539,1128 26.917,1129 12.975,1130 1.966,1131 7.124,1132 23.401,1133 3.139,1134 14.385,1135 16.755,1136 9.436,1137 29.364,1138 14.148,1139 1.847,1140 5.782,1141 25.29,1142 2.79,1143 15.541,1144 18.072,1145 10.13,1146 31.791,1147 15.294,1148 1.328,1149 5.21,1150 27.184,1151 2.502,1152 16.72,1153 19.489,1154 10.981,1155 34.235,1156 16.463,1157 1.085,1158 3.886,1159 29.084,1160 2.167,1161 17.891,1162 20.837,1163 11.71,1164 36.671,1165 17.622,1166 3094,1167 4758,1168 13.929,1169 24.773,1170 31.395,1171 32.541,1172 33.459,1173 31.406,1174 31.41,1175 36.992,1176 6.705,1177 93.7,1178 30.25,1179 5.431,1180 5.664,1181 6.427,1182 5.312,1183 5.284,1184 7.007,1185 3.889,1186 18.863,1187 5.232,1188 9.326,1189 1.495,1190 1.55,1191 1.593,1192 1.496,1193 1.496,1194 1.762,1195 0.319,1196 4.462,1197 1.44,1198 4.081,1199 4.115,1200 4.016,1201 4.006,1202 7.435,1203 4.004,1204 3.717,1205 3.763,1206 3.63,1207 3.563,1208 4.814,1209 3.568,1210 3.528,1211 3.593,1212 3.432,1213 3.242,1214 4.399,1215 3.271,1216 3.359,1217 3.445,1218 3.149,1219 3.176,1220 4.224,1221 3.166,1222 3.175,1223 3.246,1224 2.996,1225 3.022,1226 4.027,1227 3.006,1228 2.936,1229 2.983,1230 2.738,1231 2.758,1232 3.869,1233 2.74,1234 2.877,1235 2.948,1236 2.712,1237 2.621,1238 3.568,1239 2.645,1240 2.629,1241 2.73,1242 2.433,1243 2.396,1244 3.476,1245 2.394,1246 0.213,1247 0.174,1248 0.327,1249 0.203,1250 0.156,1251 4.469,1252 0.191,1253 3.664,1254 0.104,1255 6.875,1256 0.549,1257 4.267,1258 0.154,1259 3.284,1260 4.007,1261 2.186,1262 11.519,1263 3.232,1264 1.901,1265 1.883,1266 2.002,1267 1.987,1268 1.278,1269 1.99,1270 1.641,1271 1.575,1272 1.876,1273 1.855,1274 1.216,1275 1.865,1276 1.558,1277 1.494,1278 1.802,1279 1.741,1280 1.072,1281 1.748,1282 1.404,1283 1.336,1284 1.691,1285 1.703,1286 0.826,1287 1.714,1288 1.271,1289 1.186,1290 1.599,1291 1.493,1292 0.681,1293 1.536,1294 0.993,1295 0.94,1296 1.245,1297 1.258,1298 0.456,1299 1.242,1300 0.829,1301 0.774,1302 1.098,1303 1.083,1304 0.168,1305 1.1,1306 0.709,1307 0.655,1308 0.992,1309 0.952,1310 0.099,1311 0.985,1312 3.761,1314 5.094,1315 3.045,1316 6.621,1317 5.476,1318 8.244,1319 7.636,1320 9.923,1322 3.799,1328 4.658,1329 2.474,1330 5.227,1332 1.262,1333 2.559,1340 23.214,1341 57.089,1342 128.621,1343 179.866,1344 188.621,1345 188.621,1346 188.621,1347 24.52,1348 6.822,1349 41.57,1350 41.57,1351 16,1352 12.407,1353 3,1354 2.322,1355 27.831,1356 54,1357 58,1358 0.268,1359 142.347,1360 249.1,1361 339.086,1362 6931,1364 13.405,1365 0.706,1366 0.604,1367 13.405,1368 11.479,1369 9.224,1370 0.439,1371 0.333,1372 6.894,1373 8.84,1374 6.698,1375 5.539,1376 9.224,1377 6.99,1378 8.161,1379 0.272,1380 0.177,1381 8.161,1382 5.295,1383 7.265,1384 0.173,1385 0.105,1386 7.265,1387 4.428,1388 6.065,1389 0.105,1390 0.06,1391 6.065,1392 3.495,1393 4.828,1394 0.067,1395 0.033,1396 4.828,1397 2.403,1398 0.406,1399 57.87,1400 0.268,1401 18.736,1402 0.772,1403 102,1404 269.449,1405 112.555,1406 254.967,1407 351.37,1408 240,1409 123,1410 261.782,1411 132.312,1412 261.486,1413 386.86,1414 247,1415 6.597}
{0 CHEMBL288316,1 1.597,2 6.286,3 0.856,4 0.733,5 54.101,6 6.609,7 0.357,8 3.487,9 3.627,10 2.932,11 2.8,12 4.64,13 2.798,14 3.998,15 4.228,16 3.176,17 3.112,18 4.961,19 3.091,20 4.112,21 4.324,22 3.112,23 3.232,24 5.068,25 3.157,26 4.226,27 4.494,28 3.072,29 3.203,30 5.139,31 3.082,32 4.16,33 4.464,34 2.94,35 3.026,36 5.122,37 2.945,38 3.947,39 4.163,40 2.667,41 2.967,42 5.039,43 2.842,44 3.865,45 4.177,46 2.225,47 2.793,48 4.61,49 2.575,50 3.611,51 3.947,52 1.716,53 2.364,54 4.492,55 2.114,56 0.088,57 0.394,58 7.443,59 2.189,60 14.032,61 3.525,62 0.284,63 0.542,64 13.078,65 3.109,66 17.776,67 5.214,68 0.283,69 0.585,70 14.517,71 4.164,72 20.233,73 6.376,74 0.323,75 0.574,76 16.281,77 4.064,78 22.114,79 7.029,80 0.357,81 0.466,82 15.662,83 3.243,84 30.313,85 5.765,86 0.364,87 0.424,88 12.52,89 3.419,90 39.034,91 5.255,92 0.167,93 0.362,94 11.139,95 2.915,96 16.557,97 5.045,98 0.154,99 0.215,100 8.777,101 2.007,102 20.154,103 3.585,104 26,105 18,106 0.315,107 0.615,108 0.783,109 0.796,110 0.809,111 0.809,112 2.731,113 0.982,114 -1.66,115 -1.73,116 -1.76,121 30,122 2,126 1,128 1,129 1,147 1,153 1,157 1,163 1,172 1,180 2,182 2,187 1,191 1,194 1,205 1,209 1,213 1,216 2,218 1,232 2,235 1,244 2,261 2,281 200,282 9.129,283 9.129,284 9.129,285 9.129,286 9.129,287 8.109,288 14.196,289 5.607,290 9.571,291 6.853,292 6.853,293 6.853,294 6.853,295 6.853,296 5.54,297 20.831,298 2.56,299 7.497,300 3.309,301 1.792,302 0.942,303 0.875,304 0.809,305 0.809,306 3.34,311 1,312 1,313 167,314 2.915,317 41.814,325 1.041,326 8.811,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 31.5,338 88,339 4.399,340 3.631,341 6.471,342 3.941,343 3.025,344 4.086,345 1.697,346 10.004,347 2.77,348 3.289,349 3.109,350 4.982,351 3.134,352 2.23,353 2.392,354 1.041,355 5.612,356 2.007,357 3.042,358 2.687,359 4.596,360 2.706,361 1.799,362 2.134,364 4.86,365 1.628,366 3.033,367 2.012,368 4.099,369 2.471,370 1.522,371 2.096,373 3.58,374 1.441,375 2.363,376 1.463,377 3.144,378 1.821,379 0.866,380 1.224,382 1.647,383 0.825,384 1.684,385 1.022,386 2.923,387 1.477,388 0.591,389 0.631,391 1.21,392 0.519,393 0.939,394 0.617,395 2,396 0.784,397 -0.162,398 -0.174,400 -0.298,401 -0.152,402 0.426,403 -0.133,404 2,405 0.09,406 -0.837,407 -1,409 -1.552,410 -0.776,411 0.203,412 -0.673,413 1.694,415 -1,416 -1,418 -2,419 -0.888,421 -1,422 1.401,423 -0.11,424 -1,425 -1.144,427 -2.671,428 -1,429 -0.215,430 -1.082,431 1,432 -0.6,433 -1.502,434 -1.753,436 -3.681,437 -1.328,438 -0.313,439 -1.466,440 0.821,441 -0.79,442 -1.699,443 -2.248,445 -4.783,446 -1.554,447 -0.517,448 -1.722,449 0.63,450 -0.954,451 -1.886,452 -2.537,453 -1.041,454 -5.423,455 -1.695,456 -0.833,457 -1.845,458 0.241,459 -1.069,460 -1.948,461 -2.707,462 -1.697,463 -6.506,464 -1.796,474 6.367,475 0.455,476 0.353,477 0.025,478 14,479 1,480 4.5,481 0.321,482 9.5,483 0.679,484 10.357,485 0.74,486 17.333,487 0.578,488 8.986,489 0.642,490 3.134,491 0.224,492 3.514,493 0.251,494 0.288,496 0.283,501 0.873,502 2.002,503 0.92,504 1.58,505 0.872,506 1.3,507 1.148,508 0.97,509 0.926,510 0.807,511 0.568,512 0.799,513 1.243,514 1.125,515 1.18,516 1.198,517 0.87,518 1.195,519 0.619,520 1.282,521 0.943,522 1.25,523 0.537,524 1.17,525 1.107,526 0.552,527 0.855,528 0.585,529 0.914,530 0.627,531 1.45,532 1.112,533 1.363,534 1.179,535 2.036,536 1.285,537 0.622,538 1.055,539 1.053,540 1.163,541 0.541,542 1.182,543 0.789,544 0.84,545 1.009,546 1.034,547 1.14,548 1.051,549 3,551 1.778,552 1.042,553 0.57,554 0.358,555 0.274,556 0.062,559 1119,560 3163,561 1.842,562 53.3,564 4,565 3,566 2,567 1,569 6,572 1.51,573 1.68,574 2.697,575 -0.096,579 1,582 47.923,583 1.597,584 3.114,585 3.965,586 4.031,587 4.098,588 4.098,589 2.217,590 3.522,591 3.773,592 2.816,593 256.3,594 6.3,595 2041.26,597 1,600 147.207,601 1.557,602 3.7,603 0.214,605 0.099,606 0.065,607 0.041,608 0.028,609 0.03,610 0.012,613 0.489,614 0.67,615 1,616 1.862,617 53.351,618 0.068,619 -0.571,620 0.055,621 -0.291,622 0.024,623 -0.15,624 -0.075,625 0.179,626 0.085,627 0.191,628 0.036,629 0.179,630 -0.162,631 0.016,632 -0.199,633 -0.092,634 -0.135,635 -0.159,636 0.183,637 -0.269,638 -0.003,639 -0.26,640 0.097,641 -0.184,642 -0.068,643 0.309,644 0.141,645 0.233,646 0.098,647 0.254,648 -0.141,649 -0.126,650 -0.365,651 -0.114,652 -0.279,653 -0.284,654 -0.041,655 -0.138,656 -0.163,657 -0.212,658 -0.016,659 -0.208,660 -0.037,661 -0.086,662 -0.09,663 -0.201,664 -0.034,665 -0.15,666 1.151,667 2.466,668 0.357,669 8.898,670 1.007,671 1.154,672 0.43,673 0.185,674 0.596,675 2.708,676 2.944,677 3.091,678 3.258,679 3.219,680 3.045,681 2.89,682 2.565,683 1.609,684 1.386,685 4.027,686 0.564,687 198.28,688 2.708,689 4.174,690 4.963,691 5.802,692 6.627,693 7.475,694 8.314,695 9.165,696 10.01,697 10.863,698 10,706 1,707 1,708 1,715 2,720 1,721 2,722 5,726 1,741 30,743 6,745 14,747 30,748 9,749 3,752 1,756 1,757 1,763 2,770 1,772 4,773 5,777 1,784 1,785 1,790 1,793 16,794 3,795 1,796 5,799 1,802 3,803 1,808 1,809 2,828 1,857 1,858 1,859 1,864 3,868 14,875 1,876 1,878 1,880 1,893 6.7,897 1,898 1,901 8.333,902 6.1,903 3.306,904 1.694,907 1.224,908 1.237,909 0.853,910 4.099,911 6.389,912 2.918,913 3.409,914 3.879,915 4.392,916 4.469,917 4.447,918 4.467,919 4.24,920 3.446,921 3.446,922 1,923 16,924 5.096,925 0.002,926 1.92,927 0.026,929 7.857,931 9.634,932 0.001,933 6.989,934 0.001,936 2.357,937 33,938 0.004,941 176.567,942 59.681,943 17.046,945 53.806,948 59.681,949 230.372,950 17.046,951 26.047,952 4.164,953 9.047,954 47.817,955 67,956 35.313,957 117.711,959 176.567,960 76.726,961 53.806,964 105.94,965 113.432,966 11,968 48.336,969 17.444,970 10.947,972 176.567,973 70.851,974 59.681,977 176.567,978 6.491,979 56.987,981 67.053,982 176.567,983 70.851,984 59.681,986 0.556,987 0.303,988 0.164,989 0.09,990 7,991 4,992 0.133,993 4,995 1,996 2.557,997 78.111,999 5,1000 51.303,1005 11.206,1006 5.121,1007 3.097,1009 67.053,1010 3.75,1015 0.785,1016 3.711,1017 42.806,1018 307.098,1019 17.5,1026 1.379,1027 3.005,1031 30.203,1032 34.613,1034 0.326,1035 0.635,1036 0.808,1037 0.822,1038 0.835,1039 0.835,1040 4.099,1041 -0.837,1042 4.934,1043 -0.298,1044 3.611,1045 4.086,1046 2.189,1047 5.687,1048 3.436,1049 5.277,1050 -1,1051 6.466,1052 -1.552,1053 3.219,1054 3.861,1056 6.581,1057 2.966,1058 6.556,1059 -1,1060 8.106,1061 -2,1062 5.13,1063 6.192,1064 2.993,1065 9.628,1066 4.766,1067 7.878,1068 -1.502,1069 9.811,1070 -2.671,1071 5.565,1072 6.885,1074 11.401,1075 5.117,1076 9.238,1077 -1.699,1078 11.558,1079 -3.681,1080 6.98,1081 8.674,1082 3.938,1083 13.969,1084 6.436,1085 10.628,1086 -1.886,1087 13.336,1088 -4.783,1089 7.793,1090 9.785,1092 16.075,1093 7.166,1094 12.04,1095 -1.948,1096 15.136,1097 -5.423,1098 9.016,1099 11.35,1100 4.951,1101 18.478,1102 8.298,1103 3.025,1105 16.954,1106 -6.506,1107 9.997,1108 12.638,1110 20.708,1111 9.195,1112 2.23,1113 10.004,1114 18.784,1116 11.146,1117 14.111,1118 5.992,1119 23.05,1120 10.255,1121 1.799,1122 5.612,1123 20.623,1124 4.086,1125 12.2,1126 15.47,1128 25.325,1129 11.223,1130 1.522,1131 4.86,1132 22.47,1133 2.392,1134 13.321,1135 16.905,1136 7.044,1137 27.644,1138 12.256,1139 0.866,1140 3.58,1141 24.321,1142 2.134,1143 14.405,1144 18.293,1146 29.936,1147 13.254,1148 0.591,1149 1.647,1150 26.177,1151 2.096,1152 15.516,1153 19.712,1154 8.099,1155 32.245,1156 14.277,1157 -0.162,1158 1.21,1159 28.036,1160 1.224,1161 16.613,1162 21.112,1164 34.544,1165 15.287,1166 1283,1167 2228,1168 8.553,1169 17.875,1170 20.62,1171 22.464,1172 21.571,1173 20.042,1174 20.067,1175 25.128,1176 5.476,1177 53.828,1178 18.376,1179 5.232,1180 5.476,1181 6.23,1182 5.011,1183 4.973,1184 6.794,1185 3.394,1186 16.511,1187 4.566,1188 8.493,1189 1.473,1190 1.605,1191 1.541,1192 1.432,1193 1.433,1194 1.795,1195 0.391,1196 3.845,1197 1.313,1198 4.027,1199 4.091,1200 3.98,1201 3.806,1202 6.546,1203 3.842,1204 3.625,1205 3.684,1206 3.467,1207 3.434,1208 4.867,1209 3.429,1210 3.251,1211 3.317,1212 3.167,1213 2.953,1214 4.544,1215 2.988,1216 3.199,1217 3.297,1218 2.998,1219 2.931,1220 4.04,1221 2.932,1222 2.874,1223 3.009,1224 2.608,1225 2.636,1226 3.898,1227 2.615,1228 2.871,1229 2.966,1230 2.499,1231 2.618,1232 3.678,1233 2.57,1234 2.412,1235 2.468,1236 2.223,1237 1.94,1238 3.467,1239 2.01,1240 2.124,1241 2.243,1242 1.867,1243 1.731,1244 3.057,1245 1.739,1246 0.314,1247 0.259,1248 0.462,1249 0.282,1250 0.216,1251 4.399,1252 0.292,1253 3.631,1254 0.121,1255 6.471,1256 0.715,1257 3.941,1258 0.198,1259 3.025,1260 4.086,1261 1.697,1262 10.004,1263 2.77,1264 1.673,1265 1.615,1266 1.904,1267 1.936,1268 1.071,1269 1.912,1270 1.597,1271 1.528,1272 1.792,1273 1.836,1274 0.91,1275 1.835,1276 1.502,1277 1.432,1278 1.7,1279 1.719,1280 0.822,1281 1.728,1282 1.054,1283 0.971,1284 1.417,1285 1.42,1286 0.469,1287 1.384,1288 0.934,1289 0.804,1290 1.344,1291 1.239,1292 0.358,1293 1.308,1294 0.882,1295 0.789,1296 1.251,1297 1.161,1298 0.312,1299 1.202,1300 0.452,1301 0.366,1302 0.773,1303 0.899,1305 0.872,1306 0.043,1308 0.608,1309 0.552,1311 0.567,1312 3.367,1314 4.615,1315 2.398,1316 6.038,1317 4.727,1318 7.55,1319 6.783,1320 9.117,1322 5.829,1327 8.466,1328 0.458,1330 5.435,1332 0.182,1340 16.918,1341 47.923,1342 93.432,1343 118.942,1344 120.942,1345 122.942,1346 122.942,1347 18.322,1348 5.165,1349 50.63,1350 50.63,1351 5,1352 11.421,1353 2.807,1354 2.17,1355 27.837,1356 32,1357 31,1358 0.447,1359 110.765,1360 184.98,1361 262.027,1362 756,1364 10.552,1365 0.754,1366 0.626,1367 10.552,1368 8.766,1369 6.647,1370 0.475,1371 0.327,1372 4.455,1373 6.132,1374 4.249,1375 3.631,1376 6.647,1377 4.581,1378 5.738,1379 0.319,1380 0.191,1381 5.738,1382 3.441,1383 4.066,1384 0.194,1385 0.093,1386 4.066,1387 1.961,1388 3.129,1389 0.125,1390 0.048,1391 3.129,1392 1.201,1393 2.235,1394 0.093,1395 0.028,1396 2.235,1397 0.683,1398 0.667,1399 43.336,1400 0.342,1401 14.258,1402 1.305,1403 64,1404 215.508,1405 74.699,1406 200.873,1407 263.24,1408 186,1409 71,1410 189.769,1411 82.008,1412 188.792,1413 262.15,1414 173,1415 4.31}
{0 CHEMBL288549,1 1.312,2 14.935,3 6.554,4 42.956,5 126.467,6 6.278,7 0.353,8 4.26,9 4.393,10 3.686,11 3.808,12 5.177,13 3.746,14 4.865,15 5.064,16 4.047,17 4.243,18 5.744,19 4.145,20 5.176,21 5.42,22 4.082,23 4.416,24 5.926,25 4.276,26 5.27,27 5.54,28 4,29 4.405,30 6.015,31 4.237,32 5.227,33 5.511,34 3.979,35 4.311,36 6.002,37 4.159,38 5.093,39 5.34,40 3.924,41 4.251,42 5.927,43 4.115,44 5.05,45 5.305,46 3.882,47 4.204,48 5.906,49 4.06,50 4.982,51 5.237,52 3.734,53 4.074,54 5.924,55 3.936,56 0.071,57 0.924,58 16.226,59 6.871,60 9.568,61 9.645,62 0.397,63 1.565,64 30.049,65 11.701,66 35.754,67 16.881,68 0.286,69 1.993,70 40.467,71 15.678,72 30.648,73 22.663,74 0.343,75 2.093,76 44.458,77 16.641,78 41.776,79 24.281,80 0.378,81 1.94,82 42.827,83 15.35,84 45.725,85 22.433,86 0.444,87 1.713,88 37.958,89 13.826,90 43.012,91 19.571,92 0.287,93 1.664,94 35.863,95 13.447,96 37.668,97 19.274,98 0.503,99 1.512,100 34.371,101 11.492,102 57.304,103 16.496,104 19,105 47,106 0.209,107 0.49,108 0.709,109 0.843,110 0.879,111 0.879,112 3.471,113 1.056,114 -5.64,115 -5.51,116 -5.13,121 40.3,122 2,123 7,125 1,127 3,129 1,144 8,145 3,146 1,161 1,176 19,179 1,180 6,183 2,185 1,187 22,192 7,197 1,200 17,206 10,211 3,214 8,219 9,224 3,227 12,231 1,232 4,237 3,239 16,244 5,249 4,251 18,255 1,256 3,259 1,264 15,269 4,277 13,281 1839,282 21.247,283 21.247,284 21.247,285 21.247,286 21.247,287 19.656,288 24.612,289 13.008,290 21.52,291 16.808,292 16.808,293 16.808,294 16.808,295 16.808,296 14.393,297 32.231,298 6.238,299 17.239,300 4.754,301 2.995,302 1.624,303 0.784,304 0.56,305 0.56,306 4.169,312 1,313 998,314 4.243,317 126.715,318 174.733,320 102.575,321 112.697,324 156.188,325 2.45,326 19.949,329 0.75,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.92,337 65,338 463,339 4.781,340 3.901,341 7.934,342 4.676,343 3.686,344 4.161,345 2.186,346 14.946,347 3.652,348 4.011,349 3.662,350 6.186,351 3.683,352 2.726,353 3.465,354 0.916,355 8.843,356 2.617,357 3.897,358 2.983,359 5.715,360 3.54,361 2.574,362 3.301,363 0.366,364 7.731,365 2.495,366 3.656,367 2.695,368 5.408,369 3.32,370 2.353,371 2.871,372 0.172,373 7.031,374 2.241,375 3.324,376 2.417,377 5.308,378 3.129,379 2.161,380 2.519,382 6.63,383 2.083,384 3.291,385 2.389,386 4.795,387 2.966,388 1.994,389 2.393,391 5.411,392 1.928,393 2.878,394 1.9,395 4.613,396 2.808,397 1.809,398 2.023,400 4.048,401 1.8,402 2.843,403 1.597,404 4.149,405 2.473,406 1.479,407 1.842,409 3.616,410 1.469,411 2.567,412 1.574,413 3.827,414 2.38,415 1.388,416 1.588,418 3.008,419 1.373,420 2.5,421 1.396,422 3.597,423 2.235,424 1.257,425 1.5,427 2.98,428 1.226,429 2.43,430 1.157,431 3.398,432 2.111,433 1.118,434 1.42,436 2.662,437 1.109,438 2.272,439 1.036,440 3.308,441 2,442 1,443 1.258,445 2.136,446 1,447 1.846,448 1,449 3.247,450 1.78,451 0.804,452 0.822,454 1.485,455 0.781,456 1.635,457 0.86,458 2.975,459 1.481,460 0.5,461 0.548,463 1.224,464 0.489,465 1.274,466 0.567,467 2.826,468 1.12,469 0.162,470 0.168,472 0.321,473 0.154,474 14.967,475 0.483,476 0.66,477 0.021,478 33,479 1.065,480 14,481 0.452,482 19,483 0.613,484 33.568,485 1.083,486 34.833,487 0.52,488 22.664,489 0.731,490 5.698,491 0.184,492 9.4,493 0.303,494 0.089,495 0.033,496 0.227,501 0.787,502 1.325,503 0.961,504 1.187,505 0.611,506 1.101,507 0.644,508 1.088,509 0.983,510 1.051,511 0.422,512 1.041,513 0.931,514 1.118,515 1.022,516 1.079,517 0.682,518 1.06,519 0.991,520 1.1,521 1.029,522 1.071,523 0.861,524 1.054,525 1.181,526 0.922,527 0.891,528 0.882,529 1.17,530 0.86,531 1.658,532 0.929,533 1.097,534 0.941,535 1.423,536 0.97,537 1.202,538 1.108,539 0.996,540 1.064,541 1.363,542 1.022,543 2.018,544 0.825,545 1.204,546 0.867,547 2.624,548 0.947,549 6,550 0.135,551 3.333,552 2.458,553 1.472,554 0.83,555 0.781,556 0.438,557 0.299,558 0.156,559 14223,560 26335,561 2.096,562 53.7,563 14,564 15,567 1,569 6,572 1.733,573 1.989,574 3.79,575 -0.457,582 87.929,583 1.312,584 3.071,585 4.442,586 5.282,587 5.506,588 5.506,589 3.361,590 4.696,591 4.909,592 3.974,593 1848.09,594 8.564,595 27388.8,600 406.428,601 1.379,602 4.892,603 0.176,604 0.006,605 0.071,606 0.052,607 0.036,608 0.02,609 0.02,610 0.012,611 0.01,612 0.006,613 0.409,614 0.33,615 0.88,616 1.924,617 164.28,618 0.02,619 -0.085,620 0.063,621 -0.018,622 0.006,623 0.019,624 0.295,625 0.059,626 0.033,627 0.016,628 0.231,629 0.003,630 -0.034,631 -0.074,632 -0.033,633 -0.057,634 0.003,635 -0.047,636 -0.028,637 -0.106,638 -0.044,639 -0.089,640 0.009,641 -0.071,642 -0.008,643 0.041,644 0.109,645 0.068,646 -0.012,647 0.097,648 -0.103,649 0.06,650 -0.058,651 0.042,652 -0.143,653 0.001,654 -0.015,655 -0.12,656 0.009,657 -0.07,658 -0.033,659 -0.035,660 -0.167,661 0.175,662 -0.133,663 0.067,664 -0.267,665 -0.017,666 2.007,667 5.223,668 0.581,669 44.158,670 0.983,671 1.126,672 4.405,673 19.407,674 0.64,675 3.555,676 3.871,677 4.159,678 4.466,679 4.7,680 4.836,681 5.069,682 5.22,683 5.308,684 5.416,685 8.167,686 0.588,687 420.65,688 3.555,689 5.094,690 5.948,691 6.841,692 7.73,693 8.644,694 9.555,695 10.484,696 11.411,697 12.35,698 3,701 1,705 1,715 8,720 4,722 12,737 1,741 67,743 13,744 2,745 34,747 70,748 27,749 12,750 4,751 8,756 4,757 7,763 2,764 1,766 1,767 3,770 8,772 13,773 14,777 1,782 1,786 1,793 36,794 4,795 1,796 4,802 2,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 2,868 31,876 10,877 1,878 1,880 1,881 1,882 1,893 3,896 1,898 1,901 15.583,902 12.283,903 6.931,904 4.635,907 2.189,908 1.271,909 0.954,910 7.22,911 10.262,912 3.738,913 4.234,914 4.71,915 5.226,916 5.712,917 5.864,918 6.252,919 6.575,920 6.776,921 7.044,922 1,923 47,924 11.561,926 4.86,927 0.026,929 7.465,931 23.122,933 19.66,936 1.965,937 60.917,941 411.989,942 139.082,943 21.135,945 36.145,948 139.082,949 448.133,950 21.135,951 17.65,952 42.07,953 75.81,954 25.145,955 28.924,956 6.763,957 411.989,959 411.989,960 160.217,961 36.145,964 341.362,965 106.771,968 62.844,969 97.373,972 411.989,973 57.28,974 139.082,977 411.989,978 45.621,979 96.585,980 18.011,981 36.145,982 411.989,983 57.28,984 139.082,986 0.568,987 0.325,988 0.176,989 0.096,990 22,991 9,992 0.143,993 10,994 2,995 1.222,996 4.371,997 272.954,998 0.222,999 18,1000 149.58,1005 22.203,1006 10.08,1007 5.087,1009 57.28,1010 16.966,1015 4.788,1017 18.011,1018 608.35,1019 41,1024 12.223,1028 -0.34,1031 65.879,1032 75.474,1034 0.216,1035 0.506,1036 0.732,1037 0.871,1038 0.908,1039 0.908,1040 4.99,1041 1.479,1042 5.943,1043 4.048,1044 4.554,1045 4.92,1046 2.401,1047 6.817,1048 4.505,1049 6.158,1050 1.388,1051 7.537,1052 3.616,1053 4.205,1054 4.635,1055 1.847,1056 8.118,1057 4.139,1058 7.46,1059 1.257,1060 9.263,1061 3.008,1062 6.221,1063 6.963,1064 3.519,1065 11.28,1066 6.131,1067 8.803,1068 1.118,1069 11.08,1070 2.98,1071 6.804,1072 7.51,1073 3.603,1074 13.555,1075 6.713,1076 10.191,1077 1,1078 12.963,1079 2.662,1080 8.305,1081 9.341,1082 4.91,1083 16.361,1084 8.199,1085 11.611,1086 0.804,1087 14.895,1088 2.136,1089 9.316,1090 10.283,1091 5.291,1092 18.945,1093 9.215,1094 13.057,1095 0.5,1096 16.862,1097 1.485,1098 10.657,1099 11.906,1100 6.388,1101 21.675,1102 10.547,1103 3.686,1104 0.162,1105 18.857,1106 1.224,1107 11.848,1108 13.057,1109 6.93,1110 24.345,1111 11.739,1112 2.726,1113 14.946,1114 20.872,1115 0.321,1116 13.149,1117 14.578,1118 7.902,1119 27.056,1120 13.034,1121 2.574,1122 8.843,1123 22.902,1124 4.161,1125 14.408,1126 15.845,1127 8.539,1128 29.75,1129 14.291,1130 2.353,1131 7.731,1132 24.942,1133 3.465,1134 15.704,1135 17.316,1136 9.436,1137 32.457,1138 15.58,1139 2.161,1140 7.031,1141 26.991,1142 3.301,1143 16.99,1144 18.649,1145 10.13,1146 35.158,1147 16.861,1148 1.994,1149 6.63,1150 29.045,1151 2.871,1152 18.288,1153 20.094,1154 10.981,1155 37.863,1156 18.152,1157 1.809,1158 5.411,1159 31.104,1160 2.519,1161 19.584,1162 21.466,1163 11.71,1164 40.567,1165 19.441,1166 13722,1167 18833,1168 22.94,1169 42.864,1170 50.232,1171 51.242,1172 51.682,1173 50.023,1174 50.021,1175 59.761,1176 7.283,1177 144.143,1178 48.837,1179 5.745,1180 5.901,1181 7.897,1182 5.755,1183 5.686,1184 7.161,1185 3.889,1186 23.418,1187 5.652,1188 13.033,1189 1.477,1190 1.507,1191 1.52,1192 1.471,1193 1.471,1194 1.758,1195 0.214,1196 4.239,1197 1.436,1198 4.107,1199 4.14,1200 4.045,1201 4.035,1202 7.435,1203 4.033,1204 3.897,1205 3.927,1206 3.825,1207 3.84,1208 4.827,1209 3.832,1210 3.785,1211 3.851,1212 3.649,1213 3.648,1214 4.746,1215 3.631,1216 3.685,1217 3.726,1218 3.577,1219 3.553,1220 4.397,1221 3.555,1222 3.565,1223 3.638,1224 3.426,1225 3.383,1226 4.246,1227 3.375,1228 3.353,1229 3.407,1230 3.207,1231 3.114,1232 4.132,1233 3.135,1234 3.23,1235 3.313,1236 3.065,1237 3.069,1238 4.001,1239 3.058,1240 3.165,1241 3.241,1242 2.984,1243 3.005,1244 3.847,1245 2.991,1246 0.141,1247 0.115,1248 0.233,1249 0.138,1250 0.108,1251 4.781,1252 0.122,1253 3.901,1254 0.064,1255 7.934,1256 0.44,1257 4.676,1258 0.107,1259 3.686,1260 4.161,1261 2.186,1262 14.946,1263 3.652,1264 1.917,1265 1.894,1266 2.045,1267 2.011,1268 1.379,1269 2.024,1270 1.907,1271 1.881,1272 2.039,1273 1.991,1274 1.312,1275 1.999,1276 1.782,1277 1.718,1278 2.009,1279 1.947,1280 1.239,1281 1.979,1282 1.655,1283 1.608,1284 1.862,1285 1.796,1286 1.13,1287 1.819,1288 1.565,1289 1.491,1290 1.851,1291 1.784,1292 1.12,1293 1.806,1294 1.503,1295 1.432,1296 1.732,1297 1.711,1298 0.972,1299 1.726,1300 1.275,1301 1.215,1302 1.578,1303 1.558,1304 0.778,1305 1.561,1306 1.132,1307 1.065,1308 1.452,1309 1.354,1310 0.613,1311 1.385,1312 4.234,1314 5.549,1315 3.045,1316 7.062,1317 5.587,1318 8.681,1319 7.832,1320 10.368,1322 4.593,1328 10.912,1329 2.897,1330 5.62,1332 0.509,1333 2.626,1334 0.124,1340 39.428,1341 87.929,1342 205.781,1343 297.634,1344 353.899,1345 368.918,1346 368.918,1347 53.51,1348 8.073,1349 41.57,1350 41.57,1351 22,1352 12.849,1353 3.807,1354 3,1355 49.794,1356 147,1357 202,1358 0.163,1359 241.279,1360 425.52,1361 580.482,1362 38419,1364 21.684,1365 0.699,1366 0.614,1367 21.684,1368 19.031,1369 15.098,1370 0.444,1371 0.352,1372 11.878,1373 14.74,1374 11.537,1375 9.628,1376 15.098,1377 11.97,1378 13.329,1379 0.284,1380 0.2,1381 13.329,1382 9.393,1383 11.123,1384 0.177,1385 0.114,1386 11.123,1387 7.193,1388 9.387,1389 0.109,1390 0.063,1391 9.387,1392 5.376,1393 7.613,1394 0.07,1395 0.035,1396 7.613,1397 3.809,1398 0.264,1399 93.008,1400 0.209,1401 29.813,1402 0.428,1403 162,1404 361.449,1405 172.889,1406 352.355,1407 490.44,1408 332,1409 191,1410 367.064,1411 201.145,1412 373.236,1413 548.6,1414 352,1415 6.296}
{0 CHEMBL291783,1 1.31,2 7.059,3 1.858,4 3.452,5 68.871,6 6.524,7 0.667,8 3.617,9 3.746,10 3.07,11 3.161,12 4.676,13 3.11,14 4.125,15 4.322,16 3.393,17 3.547,18 5.068,19 3.476,20 4.413,21 4.613,22 3.445,23 3.741,24 5.343,25 3.612,26 4.612,27 4.889,28 3.378,29 3.734,30 5.469,31 3.578,32 4.536,33 4.78,34 3.176,35 3.691,36 5.47,37 3.514,38 4.467,39 4.785,40 2.957,41 3.534,42 5.215,43 3.309,44 4.063,45 4.354,46 2.655,47 3.15,48 4.949,49 2.954,50 3.618,51 3.914,52 2.09,53 2.66,54 4.485,55 2.446,56 0.046,57 0.469,58 8.139,59 3.32,60 8.497,61 4.631,62 0.111,63 0.766,64 13.917,65 5.129,66 10.813,67 7.441,68 0.155,69 0.966,70 18.508,71 7.53,72 18.266,73 10.64,74 0.186,75 1.093,76 23.134,77 8.629,78 29.336,79 12.441,80 0.227,81 0.994,82 21.543,83 8.208,84 39.928,85 11.397,86 0.117,87 0.902,88 19.701,89 8.109,90 25.429,91 11.71,92 0.099,93 0.591,94 13.204,95 5.318,96 22.646,97 7.495,98 0.072,99 0.368,100 8.436,101 3.319,102 15.876,103 4.677,104 10,105 25,106 0.243,107 0.511,108 0.625,109 0.755,110 0.805,111 0.805,112 2.908,113 0.986,114 -0.85,115 -0.96,116 -1.07,121 42.9,126 2,127 1,144 9,145 1,146 2,176 9,185 1,187 8,189 2,197 2,199 1,200 4,203 4,211 1,214 1,216 3,224 1,227 4,229 1,237 2,239 7,249 2,251 7,261 1,264 4,277 1,281 318,282 11.146,283 11.146,284 11.146,285 11.146,286 11.146,287 9.629,288 11.025,289 6.71,290 11.302,291 8.893,292 8.893,293 8.893,294 8.893,295 8.893,296 6.788,297 15.582,298 3.19,299 9.192,300 3.819,301 2.373,302 1.761,303 1.061,304 0.786,305 0.786,306 3.556,311 1,312 1,313 249,314 2.915,318 114.548,325 1.01,326 8.861,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 35.5,338 120,339 4.573,340 3.78,341 7.4,342 4.358,343 3.434,344 3.999,345 1.26,346 12.877,347 3.174,348 3.903,349 2.736,350 5.661,351 3.504,352 2.518,353 3.45,354 0.245,355 7.459,356 2.484,357 3.592,358 2.471,359 5.211,360 3.224,361 2.263,362 2.851,364 6.391,365 2.164,366 2.884,367 1.556,368 4.127,369 2.441,370 1.444,371 2.049,373 3.276,374 1.44,375 2.859,376 1.513,377 3.626,378 2.392,379 1.414,380 2.011,382 3.03,383 1.377,384 2.578,385 1.209,386 3.564,387 2.132,388 1.146,389 1.61,391 2.8,392 1.128,393 2.5,394 1,395 3.247,396 2,397 1,398 1.5,400 2.136,401 1,402 1.154,403 0.22,404 3.07,405 0.879,406 -0.087,407 -0.102,409 -0.222,410 -0.083,411 1.007,412 0.094,413 2.611,414 0.668,415 -0.26,416 -0.31,418 -0.597,419 -0.239,420 0.604,421 -0.6,422 2,423 0.14,424 -0.844,425 -1,427 -2.057,428 -0.825,429 0.5,430 -0.737,431 2,433 -1,434 -1.152,436 -2.347,437 -0.9,438 0.329,439 -0.846,440 1.759,441 -0.033,442 -1,443 -1.271,445 -2.545,446 -0.964,448 -1,449 1.643,450 -0.1,451 -1,452 -1.5,454 -3,455 -1,456 -0.107,457 -1.222,458 1.555,459 -0.482,460 -1.414,461 -1.884,463 -3.459,464 -1.323,465 -0.5,466 -1.423,467 1.055,468 -0.744,469 -1.69,470 -2.039,472 -4.789,473 -1.601,474 8.233,475 0.484,476 0.492,477 0.029,478 22.75,479 1.338,480 12.5,481 0.735,482 10.25,483 0.603,484 10.964,485 0.645,486 18.467,487 0.528,488 14.977,489 0.881,490 4.799,491 0.282,492 3.295,493 0.194,494 0.162,495 0.049,496 0.182,501 1.063,502 1.345,503 0.955,504 1.096,505 1.034,506 1.028,507 1.121,508 0.927,509 0.959,510 0.837,511 0.568,512 0.852,513 0.787,514 1.358,515 1.162,516 1.315,517 0.861,518 1.28,519 1.057,520 0.959,521 0.93,522 0.936,523 0.909,524 0.919,525 1.738,526 1.025,527 1.321,528 1.085,529 1.899,530 1.162,531 0.391,532 0.818,533 0.775,534 0.885,535 0.444,536 0.868,537 0.92,538 0.875,539 0.898,540 0.942,541 1.09,542 0.929,543 1.119,544 0.888,545 0.986,546 0.96,547 1.34,548 0.971,549 4,551 2.222,552 1.688,553 0.831,554 0.514,555 0.163,556 0.071,557 0.053,559 2158,560 4780,561 1.98,562 51.4,564 17,567 1,572 1.572,573 1.838,574 2.825,575 -0.371,577 1,578 1,579 1,582 45.863,583 1.31,584 2.756,585 3.368,586 4.069,587 4.343,588 4.343,589 2.228,590 3.617,591 4.062,592 2.919,593 396.975,594 6.88,595 3550.13,596 1,597 1,599 1,600 179.525,601 1.574,602 3.996,603 0.222,605 0.089,606 0.07,607 0.038,608 0.03,609 0.012,610 0.007,611 0.011,613 0.479,614 1,615 1,616 0.682,617 69.501,618 -0.031,619 -0.181,620 0.035,621 -0.036,622 -0.137,623 -0.007,624 -0.114,625 0.235,626 0.038,627 0.147,628 0.056,629 0.12,630 0.1,631 -0.311,632 -0.2,633 -0.304,634 -0.041,635 -0.286,636 -0.006,637 0.003,638 0.052,639 0.007,640 0.072,641 0.033,642 -0.288,643 -0.071,644 -0.32,645 -0.121,646 -0.331,647 -0.212,648 0.104,649 0.061,650 0.153,651 0.076,652 0.133,653 0.114,654 0.018,655 0.005,656 0.063,657 0.022,658 0.032,659 0.043,660 -0.045,661 -0.024,662 -0.017,663 -0.011,664 -0.063,665 -0.013,666 1.312,667 3.909,668 0.706,669 9.37,670 0.984,671 1.121,672 -0.378,673 0.143,674 0.655,675 2.944,676 3.258,677 3.434,678 3.638,679 3.689,680 3.497,681 3.466,682 3.401,683 3.178,684 3.045,685 4.293,686 0.606,687 228.34,688 2.944,689 4.466,690 5.283,691 6.159,692 6.995,693 7.878,694 8.721,695 9.608,696 10.455,697 11.343,698 2.9,712 1,715 9,720 3,722 12,738 1,741 35,743 12,744 2,745 18,747 36,748 15,749 12,750 3,751 9,756 2,757 2,772 12,773 3,790 1,793 18,794 1,795 1,796 2,802 1,803 1,807 1,808 1,809 1,829 2,859 2,864 2,868 17,875 1,876 1,883 1,893 2.9,895 1,901 9.25,902 6.7,903 3.736,904 2.036,907 2.081,908 1.358,909 0.907,910 3.272,911 7.892,912 3.219,913 3.784,914 4.27,915 4.758,916 5.182,917 4.981,918 5.178,919 5.376,920 5.528,921 5.768,922 0.8,923 24,924 6.263,926 2.545,927 0.026,929 7.618,931 12.143,933 9.693,936 2.118,937 36,938 0.003,941 200.109,942 110.127,945 42.683,948 110.127,949 242.792,951 16.793,952 2.106,953 85.286,954 42.683,955 5.942,957 200.109,959 200.109,960 110.127,961 42.683,964 200.109,965 42.683,968 2.106,969 108.021,972 200.109,973 42.683,974 110.127,977 200.109,978 8.048,979 102.079,981 42.683,982 200.109,983 42.683,984 110.127,986 0.581,987 0.328,988 0.175,989 0.084,990 12,991 5,992 0.083,993 3,995 1,996 2.878,997 114.304,999 12,1000 63.487,1005 11.838,1006 4.699,1007 2.729,1009 42.683,1010 17.837,1015 2.561,1017 42.683,1018 352.919,1019 24,1031 34.44,1032 39.237,1034 0.255,1035 0.537,1036 0.657,1037 0.793,1038 0.847,1039 0.847,1040 4.431,1041 -0.087,1042 5.313,1043 2.136,1044 3.932,1045 4.466,1046 1.242,1047 6.172,1048 3.857,1049 5.651,1050 -0.26,1051 6.913,1052 -0.222,1053 3.761,1054 4.182,1055 0.931,1056 7.535,1057 3.547,1058 6.966,1059 -0.844,1060 8.647,1061 -0.597,1062 5.631,1063 6.602,1064 1.34,1065 10.57,1066 5.433,1067 8.321,1068 -1,1069 10.466,1070 -2.057,1071 6.293,1072 7.07,1073 1.381,1074 12.755,1075 5.932,1076 9.711,1077 -1,1078 12.341,1079 -2.347,1080 7.725,1081 9.011,1082 1.635,1083 15.444,1084 7.359,1085 11.126,1086 -1,1087 14.253,1088 -2.545,1089 8.733,1090 9.86,1091 1.783,1092 17.882,1093 8.22,1094 12.562,1095 -1.414,1096 16.191,1097 -3,1098 10.021,1099 11.559,1100 2.002,1101 20.479,1102 9.469,1103 3.434,1104 -1.69,1105 18.146,1106 -3.459,1107 11.165,1108 12.622,1109 2.192,1110 22.997,1111 10.492,1112 2.518,1113 12.877,1114 20.113,1115 -4.789,1116 12.41,1117 14.185,1118 2.407,1119 25.566,1120 11.675,1121 2.263,1122 7.459,1123 22.09,1124 3.999,1125 13.608,1126 15.374,1127 2.615,1128 28.109,1129 12.769,1130 1.444,1131 6.391,1132 24.072,1133 3.45,1134 14.841,1135 16.859,1136 2.833,1137 30.669,1138 13.929,1139 1.414,1140 3.276,1141 26.06,1142 2.851,1143 16.06,1144 18.125,1145 3.05,1146 33.22,1147 15.056,1148 1.146,1149 3.03,1150 28.051,1151 2.049,1152 17.291,1153 19.564,1154 3.272,1155 35.777,1156 16.209,1157 1,1158 2.8,1159 30.045,1160 2.011,1161 18.518,1162 20.877,1163 3.495,1164 38.331,1165 17.35,1166 2212,1167 3339,1168 11.614,1169 22.932,1170 27.111,1171 26.178,1172 27.365,1173 26.568,1174 26.438,1175 34.938,1176 3.01,1177 75.939,1178 25.533,1179 5.398,1180 5.78,1181 7.202,1182 5.358,1183 5.434,1184 6.999,1185 1.965,1186 20.608,1187 5.174,1188 7.697,1189 1.506,1190 1.454,1191 1.52,1192 1.476,1193 1.469,1194 1.941,1195 0.167,1196 4.219,1197 1.419,1198 4.02,1199 4.064,1200 3.952,1201 3.913,1202 6.469,1203 3.916,1204 3.856,1205 3.885,1206 3.785,1207 3.794,1208 4.767,1209 3.789,1210 3.555,1211 3.629,1212 3.418,1213 3.36,1214 4.639,1215 3.365,1216 2.983,1217 3.063,1218 2.825,1219 2.849,1220 4.224,1221 2.829,1222 2.941,1223 3.009,1224 2.798,1225 2.746,1226 3.674,1227 2.751,1228 2.874,1229 2.974,1230 2.687,1231 2.735,1232 3.653,1233 2.715,1234 2.854,1235 2.925,1236 2.575,1237 2.618,1238 3.566,1239 2.591,1240 2.75,1241 2.817,1242 2.499,1243 2.605,1244 3.467,1245 2.57,1246 0.254,1247 0.21,1248 0.411,1249 0.242,1250 0.191,1251 4.573,1252 0.222,1253 3.78,1254 0.07,1255 7.4,1256 0.715,1257 4.358,1258 0.176,1259 3.434,1260 3.999,1261 1.26,1262 12.877,1263 3.174,1264 1.969,1265 1.933,1266 2.095,1267 2.111,1268 1.307,1269 2.109,1270 1.861,1271 1.834,1272 1.985,1273 1.947,1274 1.063,1275 1.962,1276 1.532,1277 1.454,1278 1.783,1279 1.745,1280 0.876,1281 1.762,1282 1.017,1283 0.943,1284 1.417,1285 1.239,1286 0.512,1287 1.308,1288 0.934,1289 0.84,1290 1.35,1291 1.218,1292 0.469,1293 1.268,1294 0.886,1295 0.821,1296 1.181,1297 1.148,1298 0.218,1299 1.132,1300 0.883,1301 0.804,1302 1.145,1303 1.062,1304 0.18,1305 1.107,1306 0.755,1307 0.698,1308 1.011,1309 0.963,1310 0.07,1311 0.993,1312 3.611,1314 4.92,1316 6.438,1318 8.046,1320 9.698,1322 4.199,1327 9.909,1328 0.86,1335 0.636,1340 21.214,1341 45.863,1342 96.466,1343 117.876,1344 142.405,1345 152.015,1346 152.015,1347 24.082,1348 5.811,1349 20.23,1350 20.23,1351 12,1352 11.882,1353 3.7,1354 2.807,1355 28.314,1356 42,1357 41,1358 0.334,1359 134.559,1360 226.81,1361 320.083,1362 1929,1364 12.303,1365 0.724,1366 0.609,1367 12.303,1368 10.35,1369 8.094,1370 0.45,1371 0.329,1372 5.85,1373 7.896,1374 5.62,1375 4.764,1376 8.094,1377 5.919,1378 7.565,1379 0.303,1380 0.203,1381 7.565,1382 5.063,1383 5.655,1384 0.188,1385 0.104,1386 5.655,1387 3.122,1388 4.764,1389 0.129,1390 0.061,1391 4.764,1392 2.247,1393 3.271,1394 0.084,1395 0.034,1396 3.271,1397 1.326,1398 0.5,1399 49.963,1400 0.293,1401 16.962,1402 0.985,1403 86,1404 186.483,1405 90.546,1406 189.444,1407 259.61,1408 176,1409 98,1410 192.284,1411 104.045,1412 200.654,1413 285.19,1414 187,1415 5}
{0 CHEMBL292314,1 1.471,2 6.125,3 3.454,4 11.933,5 66.543,6 8.025,7 0.611,8 3.475,9 3.595,10 3.117,11 3.126,12 4.508,13 3.076,14 4.017,15 4.179,16 3.525,17 3.558,18 4.987,19 3.478,20 4.31,21 4.526,22 3.603,23 3.681,24 5.26,25 3.576,26 4.265,27 4.494,28 3.449,29 3.545,30 5.282,31 3.425,32 4.144,33 4.403,34 3.121,35 3.375,36 5.028,37 3.21,38 3.949,39 4.229,40 2.936,41 3.133,42 4.762,43 2.911,44 3.632,45 3.924,46 2.428,47 2.74,48 4.356,49 2.444,50 2.936,51 3.235,52 1.69,53 1.972,54 3.7,55 1.632,56 0.026,57 0.408,58 5.509,59 2.553,60 4.944,61 3.474,62 0.031,63 0.676,64 10.846,65 4.847,66 7.077,67 6.648,68 0.111,69 0.878,70 18.361,71 6.485,72 16.007,73 8.888,74 0.198,75 0.855,76 17.198,77 5.685,78 25.758,79 7.898,80 0.139,81 0.731,82 15.134,83 5.257,84 20.394,85 7.334,86 0.118,87 0.531,88 14.394,89 5.1,90 18.27,91 7.112,92 0.103,93 0.328,94 14.948,95 4.182,96 13.651,97 5.539,98 0.082,99 0.132,100 9.791,101 2.168,102 9.59,103 2.742,104 5,105 26,106 0.284,107 0.674,108 0.772,109 0.843,110 0.87,111 0.87,112 2.857,113 1,114 -3.97,115 -3.92,116 -3.72,121 44.8,123 4,144 3,145 2,146 2,148 2,165 1,166 1,167 1,176 6,180 4,185 2,187 10,189 2,192 3,197 2,200 6,203 2,206 3,208 1,209 1,211 4,214 7,216 4,224 1,227 6,229 1,237 1,239 6,241 1,251 3,264 1,281 166,282 10.861,283 10.861,284 10.861,285 10.861,286 10.861,287 9.497,288 8.64,289 6.32,290 11.063,291 8.883,292 8.883,293 8.883,294 8.883,295 8.883,296 6.781,297 4.027,298 3.004,299 9.275,300 3.387,301 1.362,302 0.854,303 0.483,304 0.345,305 0.345,306 3.532,308 1,311 1,312 1,313 215,314 1.732,318 78.746,322 87.143,325 0.906,326 11.484,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 33.333,338 98,339 4.637,340 3.346,341 6.773,342 4.193,343 3.213,344 4.573,346 11.057,347 3.147,348 3.986,349 2.942,350 6.003,351 3.579,352 2.609,353 3.528,355 8.475,356 2.532,357 3.554,358 2.528,359 5.335,360 3.127,361 2.193,362 2.938,364 6.553,365 2.034,366 3.348,367 2.192,368 4.89,369 2.862,370 1.95,371 2.685,373 5.528,374 1.701,375 2.635,376 1.479,377 4.119,378 2.426,379 1.435,380 1.68,382 3.383,383 1.415,384 2.488,385 1.433,386 3.708,387 2.249,388 1.256,389 1.488,391 3.067,392 1.246,393 2.004,394 1.057,395 3.484,396 1.813,397 0.844,398 0.951,400 2.019,401 0.805,402 1.337,403 0.322,404 2.911,405 0.95,411 1.127,412 0.116,413 2.543,414 0.693,415 -0.193,416 -0.243,418 -0.462,419 -0.139,420 0.678,421 -0.455,422 2.342,423 0.286,424 -0.632,425 -0.75,427 -1.622,428 -0.544,429 0.298,430 -0.652,431 2,432 0.123,433 -0.867,434 -0.973,436 -2.12,437 -0.852,438 0.173,439 -0.927,440 1.835,441 -0.19,442 -1.134,443 -1.508,445 -3.083,446 -0.959,447 -0.023,448 -1.112,449 1.518,450 -0.444,451 -1.279,452 -1.624,454 -3.589,455 -1.196,456 -0.288,457 -1.389,458 1.333,459 -0.643,460 -1.565,461 -1.942,463 -4.413,464 -1.499,465 -0.5,466 -1.746,467 1.154,468 -0.885,469 -1.831,470 -2.199,472 -5.447,473 -1.743,474 8.014,475 0.501,476 0.418,477 0.026,478 20.5,479 1.281,480 10.5,481 0.656,482 10,483 0.625,484 12.018,485 0.751,486 16.586,487 0.572,488 11.113,489 0.695,490 3.599,491 0.225,492 4.155,493 0.26,494 0.139,496 0.374,501 0.767,502 0.997,503 0.603,504 0.778,505 0.903,506 0.799,507 0.581,508 1.167,509 0.614,510 0.925,511 0.486,512 0.908,513 0.944,514 1.139,515 0.852,516 0.958,517 0.837,518 0.927,519 1.003,520 1.123,521 0.877,522 1.029,523 1.085,524 1.062,525 1.089,526 0.934,527 0.829,528 0.907,529 1.32,530 1.035,531 0.538,532 0.915,533 0.798,534 1,535 0.653,536 1.037,537 1.374,538 0.796,539 1.716,540 1.211,541 1.214,542 1.123,543 2.392,544 0.564,545 2.747,546 1.368,547 1.967,548 1.132,549 3,551 2,552 1.375,553 1.271,554 0.375,555 0.2,556 0.047,557 0.02,559 1846,560 4697,561 2.135,562 44.8,563 6,564 3,567 2,568 2,572 1.557,573 2,574 2.657,575 0.39,577 1,578 1,579 1,582 42.67,583 1.471,584 3.496,585 4.004,586 4.375,587 4.513,588 4.513,589 2.149,590 2.906,591 3.977,592 2.676,593 321.104,594 6.719,595 2654.04,597 1,599 1,600 140.881,601 1.406,602 3.933,603 0.167,605 0.077,606 0.051,607 0.061,608 0.027,609 0.022,610 0.012,611 0.02,613 0.436,614 1,615 1,616 0.625,617 62.136,618 -0.089,619 0.123,620 0.007,621 0.103,622 -0.108,623 0.086,624 0.051,625 -0.14,626 0.07,627 -0.005,628 0.134,629 0.023,630 -0.036,631 -0.134,632 0.001,633 -0.025,634 0.028,635 0.014,636 0.03,637 -0.063,638 -0.077,639 -0.142,640 0.016,641 -0.161,642 -0.191,643 0.084,644 -0.069,645 -0.001,646 -0.26,647 -0.103,648 0.222,649 -0.055,650 0.149,651 0.008,652 0.175,653 -0.01,654 -0.093,655 -0.056,656 -0.127,657 -0.072,658 -0.138,659 -0.03,660 -0.341,661 0.088,662 -0.392,663 -0.099,664 -0.328,665 0.011,666 0.949,667 2.207,668 0.875,669 7.625,670 0.994,671 1.118,672 2.74,673 7.508,674 0.705,675 2.944,676 3.296,677 3.611,678 3.912,679 4.19,680 4.248,681 4.29,682 4.369,683 4.357,684 4.025,685 3.691,686 0.656,687 232.73,688 2.944,689 4.489,690 5.361,691 6.26,692 7.151,693 8.055,694 8.952,695 9.859,696 10.758,697 11.666,698 6.9,702 1,708 1,714 2,715 3,716 1,720 4,722 11,733 1,740 1,741 29,743 11,744 1,745 18,747 31,748 13,749 9,750 3,751 3,756 3,757 6,758 1,767 4,770 4,772 9,773 4,790 1,793 13,794 2,795 2,796 3,797 1,802 2,808 0.333,822 1,829 3,833 2,859 1,865 1,868 16,869 1,876 4,892 1,901 8,902 5.176,903 3.444,904 1.913,907 2.409,908 1.37,909 1.044,910 2.341,911 8.915,912 3.199,913 3.882,914 4.543,915 5.193,916 5.826,917 6.189,918 6.518,919 6.88,920 7.141,921 6.864,922 1,923 27,924 5.91,926 2.56,927 0.026,929 7.569,931 11.605,933 10.02,936 2.069,937 33.111,938 0.005,941 129.482,942 55.484,943 49.683,944 39.149,948 55.484,949 168.631,950 49.683,952 10.138,953 61.326,954 16.786,955 16.917,957 129.482,958 39.149,959 129.482,960 105.166,962 39.149,964 129.482,968 15.039,969 73.342,970 55.934,972 129.482,973 49.683,974 94.632,977 129.482,978 27.055,979 28.429,981 88.831,982 129.482,983 49.683,984 94.632,986 0.589,987 0.354,988 0.2,989 0.114,990 15,991 6,994 2,995 1.286,996 2.804,997 116.871,998 0.286,999 14,1000 64,1005 10.064,1006 3.722,1007 1.621,1008 1.954,1009 49.683,1010 5.73,1011 4.673,1015 4.033,1017 32.897,1018 273.797,1019 23.5,1031 28.829,1032 32.432,1034 0.303,1035 0.72,1036 0.824,1037 0.901,1038 0.929,1039 0.929,1040 4.44,1042 5.361,1043 2.019,1044 3.97,1045 4.564,1047 6.213,1048 3.892,1049 5.674,1050 -0.193,1051 6.944,1053 3.611,1054 4.559,1056 7.177,1057 3.453,1058 7.012,1059 -0.632,1060 8.629,1061 -0.462,1062 5.595,1063 6.9,1065 10.32,1066 5.467,1067 8.389,1068 -0.867,1069 10.374,1070 -1.622,1071 6.043,1072 7.707,1074 12.104,1075 5.865,1076 9.799,1077 -1.134,1078 12.157,1079 -2.12,1080 7.521,1081 9.554,1083 14.776,1084 7.358,1085 11.233,1086 -1.279,1087 13.967,1088 -3.083,1089 8.353,1090 10.736,1092 16.904,1093 8.159,1094 12.685,1095 -1.565,1096 15.796,1097 -3.589,1098 9.63,1099 12.387,1101 19.409,1102 9.436,1103 3.213,1104 -1.831,1105 17.64,1106 -4.413,1107 10.642,1108 13.75,1110 21.687,1111 10.425,1112 2.609,1113 11.057,1114 19.494,1115 -5.447,1116 11.841,1117 15.32,1119 24.128,1120 11.615,1121 2.193,1122 8.475,1123 21.358,1124 4.573,1125 12.936,1126 16.767,1128 26.472,1129 12.688,1130 1.95,1131 6.553,1132 23.23,1133 3.528,1134 14.108,1135 18.305,1137 28.89,1138 13.846,1139 1.435,1140 5.528,1141 25.107,1142 2.938,1143 15.24,1144 19.792,1146 31.264,1147 14.957,1148 1.256,1149 3.383,1150 26.99,1151 2.685,1152 16.403,1153 21.317,1155 33.672,1156 16.104,1157 0.844,1158 3.067,1159 28.876,1160 1.68,1161 17.552,1162 22.821,1164 36.061,1165 17.233,1166 1818,1167 2987,1168 12.137,1169 20.438,1170 27.089,1171 27.647,1172 28.226,1173 27.201,1174 27.001,1175 35.684,1177 80.164,1178 25.761,1179 5.582,1180 5.346,1181 6.454,1182 5.234,1183 5.213,1184 7.573,1186 18.595,1187 5.147,1188 6.216,1189 1.505,1190 1.536,1191 1.568,1192 1.511,1193 1.5,1194 1.982,1196 4.454,1197 1.431,1198 4.107,1199 4.134,1200 4.121,1201 4.04,1202 5.157,1203 4.043,1204 3.737,1205 3.78,1206 3.771,1207 3.66,1208 4.898,1209 3.645,1210 3.312,1211 3.373,1212 3.403,1213 3.193,1214 4.59,1215 3.182,1216 3.142,1217 3.22,1218 3.026,1219 2.97,1220 4.156,1221 2.968,1222 2.925,1223 3.019,1224 2.923,1225 2.771,1226 3.948,1227 2.749,1228 2.72,1229 2.832,1230 2.695,1231 2.576,1232 3.486,1233 2.556,1234 2.658,1235 2.706,1236 2.502,1237 2.382,1238 3.418,1239 2.394,1240 2.042,1241 2.187,1242 2.146,1243 1.718,1244 3.051,1245 1.707,1246 0.258,1247 0.186,1248 0.376,1249 0.233,1250 0.178,1251 4.637,1252 0.254,1253 3.346,1255 6.773,1256 0.614,1257 4.193,1258 0.175,1259 3.213,1260 4.573,1262 11.057,1263 3.147,1264 2.067,1265 2.044,1266 2.145,1267 2.154,1268 1.427,1269 2.154,1270 1.75,1271 1.709,1272 1.925,1273 1.863,1274 1.138,1275 1.892,1276 1.285,1277 1.237,1278 1.482,1279 1.476,1280 0.753,1281 1.485,1282 1.134,1283 1.059,1284 1.418,1285 1.346,1286 0.592,1287 1.378,1288 0.928,1289 0.857,1290 1.194,1291 1.178,1292 0.221,1293 1.196,1294 0.698,1295 0.624,1296 1.073,1297 0.988,1298 0.155,1299 1.026,1300 0.615,1301 0.511,1302 0.871,1303 0.811,1305 0.853,1306 0.058,1308 0.674,1309 0.452,1311 0.537,1312 3.611,1314 4.949,1316 6.512,1318 8.181,1320 9.905,1323 5.973,1326 6.207,1328 4.54,1340 19.031,1341 42.67,1342 101.372,1343 116.127,1344 126.881,1345 130.881,1346 130.881,1347 18.601,1348 6.506,1349 38.91,1350 38.91,1351 18,1352 12.184,1353 3.585,1354 2.7,1355 21.654,1356 39,1357 30,1358 0.322,1359 120.575,1360 198.59,1361 285.963,1362 4766,1363 3.4,1364 11.121,1365 0.695,1366 0.607,1367 11.621,1368 9.719,1369 7.754,1370 0.431,1371 0.333,1372 5.625,1373 7.351,1374 5.471,1375 4.495,1376 8.043,1377 5.998,1378 7.145,1379 0.275,1380 0.183,1381 7.554,1382 4.756,1383 6.227,1384 0.173,1385 0.097,1386 6.49,1387 3.504,1388 5.413,1389 0.11,1390 0.053,1391 5.648,1392 2.602,1393 4.507,1394 0.069,1395 0.03,1396 4.739,1397 1.954,1398 0.467,1399 50.396,1400 0.287,1401 15.571,1402 1.002,1403 88,1404 205.161,1405 106.6,1406 237.719,1407 324.98,1408 222,1409 106,1410 225.525,1411 119.256,1412 241.205,1413 356.4,1414 229,1415 8.063}
{0 CHEMBL292421,1 1.337,2 12.92,3 5.113,4 26.145,5 102.128,6 6.045,7 0.222,8 4.096,9 4.235,10 3.482,11 3.598,12 4.971,13 3.535,14 4.719,15 4.932,16 3.821,17 4.025,18 5.574,19 3.918,20 5.028,21 5.297,22 3.856,23 4.189,24 5.732,25 4.045,26 5.033,27 5.298,28 3.768,29 4.158,30 5.799,31 3.993,32 5.015,33 5.304,34 3.634,35 4.029,36 5.793,37 3.856,38 4.827,39 5.109,40 3.449,41 3.815,42 5.627,43 3.651,44 4.606,45 4.873,46 3.378,47 3.631,48 5.476,49 3.501,50 4.508,51 4.758,52 3.296,53 3.527,54 5.483,55 3.418,56 0.062,57 0.794,58 14.302,59 5.762,60 7.285,61 8.284,62 0.385,63 1.311,64 26.465,65 9.663,66 32.622,67 14.331,68 0.295,69 1.611,70 34.868,71 12.516,72 25.939,73 18.668,74 0.279,75 1.573,76 34.936,77 12.757,78 33.787,79 18.799,80 0.336,81 1.438,82 34.262,83 11.625,84 38.83,85 17.362,86 0.377,87 1.154,88 28.663,89 9.426,90 34.264,91 13.943,92 0.254,93 0.961,94 23.211,95 7.343,96 26.722,97 11.02,98 0.396,99 0.866,100 21.701,101 6.272,102 37.436,103 9.359,104 22,105 36,106 0.224,107 0.469,108 0.7,109 0.861,110 0.889,111 0.889,112 3.266,113 1.118,114 -4.63,115 -4.55,116 -4.28,121 36.8,122 2,123 7,124 1,127 3,129 1,144 3,145 2,146 1,161 1,176 12,179 1,180 6,183 2,185 1,187 14,192 5,197 1,200 10,206 8,211 3,214 8,219 6,224 3,227 5,231 1,232 4,237 3,239 4,244 4,249 3,251 4,255 1,256 3,259 1,264 6,269 2,277 8,281 987,282 17.292,283 17.292,284 17.292,285 17.292,286 17.292,287 16.463,288 22.805,289 10.63,290 17.612,291 13.279,292 13.279,293 13.279,294 13.279,295 13.279,296 11.898,297 30.034,298 4.993,299 13.738,300 4.495,301 3.027,302 1.646,303 0.685,304 0.518,305 0.518,306 3.952,311 1,312 1,313 688,314 3.873,317 49.043,318 126.134,319 74.201,321 91.27,323 116.428,325 2.01,326 17.271,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 53,338 323,339 4.494,340 3.671,341 6.871,342 4.265,343 3.281,344 4.039,345 2.186,346 11.508,347 3.23,348 3.87,349 3.551,350 5.968,351 3.559,352 2.627,353 3.141,354 0.916,355 8.372,356 2.44,357 3.562,358 2.831,359 5.452,360 3.335,361 2.39,362 2.699,363 0.366,364 7.227,365 2.244,366 3.338,367 2.525,368 5.228,369 3.098,370 2.112,371 2.462,372 0.172,373 6.172,374 2.076,375 3.154,376 2.215,377 4.802,378 2.914,379 1.942,380 2.272,382 5.401,383 1.881,384 2.843,385 1.9,386 4.356,387 2.804,388 1.808,389 1.842,391 3.769,392 1.793,393 2.5,394 1.574,395 3.827,396 2.385,397 1.396,398 1.501,400 3.604,401 1.377,402 2.431,403 1.415,404 3.786,405 2.248,406 1.265,407 1.422,409 2.747,410 1.241,411 2.285,412 1.137,413 3.394,414 2.073,415 1.082,416 1.263,418 2.65,419 1.071,420 1.844,421 1.033,422 3.089,423 1.777,424 0.799,425 0.818,427 1.455,428 0.777,429 1.665,430 0.785,431 2.931,432 1.591,433 0.612,434 0.636,436 1.122,437 0.598,438 1.27,439 0.678,440 2.581,441 1.123,442 0.167,443 0.172,445 0.311,446 0.158,447 1.164,448 0.322,449 2.556,450 0.95,451 -0.033,452 -0.037,454 -0.063,455 -0.032,456 0.851,457 0.046,458 2.403,459 0.635,460 -0.333,461 -0.364,463 -0.731,464 -0.32,465 0.596,466 -0.275,467 2.225,468 0.403,469 -0.604,470 -0.65,472 -1.1,473 -0.602,474 11.967,475 0.479,476 0.448,477 0.018,478 23.5,479 0.94,480 8,481 0.32,482 15.5,483 0.62,484 26.795,485 1.072,486 29.433,487 0.516,488 14.404,489 0.576,490 3.746,491 0.15,492 8.478,493 0.339,494 0.111,496 0.284,501 0.794,502 1.474,503 1.005,504 1.307,505 0.591,506 1.193,507 0.633,508 1.169,509 1.016,510 1.123,511 0.389,512 1.104,513 0.944,514 0.979,515 0.943,516 0.954,517 0.65,518 0.943,519 0.968,520 1.139,521 1.029,522 1.129,523 0.905,524 1.093,525 1.204,526 0.987,527 0.975,528 0.977,529 1.266,530 0.955,531 1.501,532 0.934,533 1.021,534 0.93,535 1.458,536 0.933,537 1.62,538 1.074,539 1.01,540 0.983,541 1.879,542 0.942,543 2.294,544 0.819,545 1.251,546 0.842,547 2.879,548 0.923,549 4,550 0.077,551 2.222,552 1.667,553 1.094,554 0.58,555 0.42,556 0.278,557 0.201,558 0.115,559 7734,560 13318,561 2.062,562 56.1,563 12,564 10,567 1,569 9,572 1.673,573 1.948,574 3.597,575 -0.396,582 76.236,583 1.337,584 2.806,585 4.187,586 5.148,587 5.315,588 5.315,589 3.133,590 4.404,591 4.603,592 3.765,593 1129.53,594 7.93,595 14321.9,600 332.475,601 1.323,602 4.583,603 0.148,604 0.005,605 0.062,606 0.045,607 0.034,608 0.021,609 0.019,610 0.013,611 0.011,612 0.007,613 0.365,614 0.33,615 1,616 2.33,617 123.656,618 0.017,619 -0.139,620 0.062,621 -0.05,622 0.01,623 0.001,624 0.297,625 0.013,626 0.02,627 -0.026,628 0.245,629 -0.031,630 -0.038,631 0.058,632 0.047,633 0.057,634 0.019,635 0.063,636 -0.025,637 -0.129,638 -0.044,639 -0.108,640 0.02,641 -0.082,642 -0.04,643 -0.045,644 0.019,645 -0.027,646 -0.038,647 -0.001,648 -0.03,649 -0.014,650 0.002,651 0.005,652 -0.095,653 0.005,654 -0.072,655 -0.112,656 0.037,657 -0.038,658 -0.125,659 0.004,660 -0.151,661 0.182,662 -0.122,663 0.062,664 -0.243,665 -0.017,666 1.994,667 4.986,668 0.48,669 28.016,670 0.984,671 1.134,672 3.396,673 11.53,674 0.62,675 3.332,676 3.611,677 3.892,678 4.19,679 4.443,680 4.595,681 4.727,682 4.812,683 4.82,684 4.852,685 7.154,686 0.568,687 344.55,688 3.332,689 4.844,690 5.687,691 6.561,692 7.437,693 8.331,694 9.225,695 10.131,696 11.037,697 11.951,698 3.5,701 1,705 1,715 3,720 3,722 6,737 1,741 57,743 7,744 1,745 27,747 59,748 21,749 6,750 3,751 3,756 3,757 6,763 2,767 3,768 1,770 8,772 7,773 14,774 1,777 1,782 1,786 1,793 32,794 4,795 1,796 4,802 2,808 0.333,809 2,828 1,829 2,830 1,832 1,834 1,855 1,859 1,864 2,868 25,876 10,877 1,878 1,880 2,881 1,893 3.5,896 1,898 1,901 12.833,902 10.45,903 5.778,904 4.253,907 1.284,908 1.176,909 0.939,910 6.634,911 8.581,912 3.466,913 3.902,914 4.36,915 4.878,916 5.367,917 5.629,918 5.964,919 6.228,920 6.271,921 6.39,922 0.889,923 37,924 9.343,926 3.87,927 0.026,929 7.473,931 18.783,933 15.803,936 1.973,937 49.333,938 0.001,940 1,941 364.904,942 88.515,943 21.135,945 36.145,948 88.515,949 401.049,950 21.135,951 17.65,952 42.07,953 28.429,954 25.145,955 25.739,956 6.763,957 364.904,959 364.904,960 109.65,961 36.145,964 258.964,965 142.085,968 62.844,969 46.806,972 364.904,973 57.28,974 88.515,977 364.904,978 42.436,979 49.203,980 18.011,981 36.145,982 364.904,983 57.28,984 88.515,986 0.557,987 0.323,988 0.178,989 0.098,990 16,991 7,992 0.153,993 9,994 3,995 1.417,996 3.837,997 195.113,998 0.5,999 11,1000 116.096,1005 18.567,1006 8.933,1007 4.495,1009 57.28,1010 6.218,1015 3.511,1017 18.011,1018 510.699,1019 31,1024 11.986,1028 -0.327,1031 56.112,1032 64.643,1034 0.229,1035 0.481,1036 0.718,1037 0.883,1038 0.911,1039 0.911,1040 4.705,1041 1.265,1042 5.645,1043 3.604,1044 4.29,1045 4.585,1046 2.401,1047 6.45,1048 4.227,1049 5.83,1050 1.082,1051 7.191,1052 2.747,1053 3.761,1054 4.27,1055 1.847,1056 7.357,1057 3.657,1058 7.1,1059 0.799,1060 8.844,1061 2.65,1062 5.855,1063 6.557,1064 3.519,1065 10.508,1066 5.727,1067 8.405,1068 0.612,1069 10.564,1070 1.455,1071 6.217,1072 7.118,1073 3.603,1074 12.322,1075 6.062,1076 9.753,1077 0.167,1078 12.33,1079 1.122,1080 7.74,1081 8.899,1082 4.91,1083 14.99,1084 7.568,1085 11.128,1086 -0.033,1087 14.128,1088 0.311,1089 8.542,1090 9.871,1091 5.291,1092 17.18,1093 8.357,1094 12.527,1095 -0.333,1096 15.95,1097 -0.063,1098 9.839,1099 11.452,1100 6.388,1101 19.693,1102 9.642,1103 3.281,1104 -0.604,1105 17.791,1106 -0.731,1107 10.853,1108 12.626,1109 6.93,1110 22.035,1111 10.649,1112 2.627,1113 11.508,1114 19.648,1115 -1.1,1116 12.067,1117 14.116,1118 7.902,1119 24.498,1120 11.853,1121 2.39,1122 8.372,1123 21.516,1124 4.039,1125 13.176,1126 15.394,1127 8.539,1128 26.901,1129 12.956,1130 2.112,1131 7.227,1132 23.394,1133 3.141,1134 14.364,1135 16.84,1136 9.436,1137 29.348,1138 14.134,1139 1.942,1140 6.172,1141 25.28,1142 2.699,1143 15.515,1144 18.171,1145 10.13,1146 31.774,1147 15.277,1148 1.808,1149 5.401,1150 27.173,1151 2.462,1152 16.697,1153 19.594,1154 10.981,1155 34.218,1156 16.448,1157 1.396,1158 3.769,1159 29.071,1160 2.272,1161 17.866,1162 20.954,1163 11.71,1164 36.654,1165 17.608,1166 7654,1167 10217,1168 18.087,1169 35.341,1170 38.989,1171 40.074,1172 40.742,1173 38.968,1174 38.962,1175 44.535,1176 7.283,1177 108.676,1178 37.772,1179 5.494,1180 5.671,1181 6.835,1182 5.344,1183 5.281,1184 7.039,1185 3.889,1186 18.814,1187 5.23,1188 11.597,1189 1.444,1190 1.484,1191 1.509,1192 1.443,1193 1.443,1194 1.649,1195 0.27,1196 4.025,1197 1.399,1198 4.083,1199 4.117,1200 4.02,1201 4.009,1202 7.435,1203 4.007,1204 3.783,1205 3.85,1206 3.641,1207 3.648,1208 4.816,1209 3.63,1210 3.677,1211 3.724,1212 3.567,1213 3.519,1214 4.388,1215 3.524,1216 3.564,1217 3.639,1218 3.418,1219 3.382,1220 4.247,1221 3.373,1222 3.415,1223 3.49,1224 3.231,1225 3.246,1226 4.128,1227 3.228,1228 3.326,1229 3.389,1230 3.165,1231 3.086,1232 4.017,1233 3.106,1234 3.127,1235 3.205,1236 2.938,1237 2.973,1238 3.89,1239 2.953,1240 3.024,1241 3.095,1242 2.806,1243 2.814,1244 3.732,1245 2.802,1246 0.166,1247 0.136,1248 0.254,1249 0.158,1250 0.122,1251 4.494,1252 0.15,1253 3.671,1254 0.081,1255 6.871,1256 0.426,1257 4.265,1258 0.12,1259 3.281,1260 4.039,1261 2.186,1262 11.508,1263 3.23,1264 1.893,1265 1.876,1266 2.039,1267 1.985,1268 1.396,1269 1.993,1270 1.8,1271 1.74,1272 2.01,1273 1.978,1274 1.379,1275 1.991,1276 1.782,1277 1.718,1278 1.978,1279 1.943,1280 1.194,1281 1.968,1282 1.564,1283 1.49,1284 1.852,1285 1.786,1286 1.121,1287 1.807,1288 1.435,1289 1.354,1290 1.758,1291 1.643,1292 0.952,1293 1.686,1294 1.275,1295 1.218,1296 1.578,1297 1.558,1298 0.782,1299 1.561,1300 1.15,1301 1.078,1302 1.468,1303 1.357,1304 0.775,1305 1.396,1306 1.033,1307 0.966,1308 1.301,1309 1.3,1310 0.489,1311 1.314,1312 4.007,1314 5.293,1315 2.398,1316 6.783,1317 4.949,1318 8.38,1319 7.222,1320 10.042,1322 4.447,1328 11.369,1329 2.869,1330 5.505,1332 1.192,1333 2.564,1340 32.374,1341 76.236,1342 159.953,1343 238.642,1344 293.455,1345 302.965,1346 302.965,1347 42.289,1348 7.296,1349 41.57,1350 41.57,1351 17,1352 12.466,1353 3,1354 2.322,1355 42.27,1356 105,1357 136,1358 0.196,1359 199.901,1360 352.9,1361 479.518,1362 14160,1364 17.648,1365 0.706,1366 0.629,1367 17.648,1368 15.722,1369 12.224,1370 0.453,1371 0.373,1372 9.969,1373 11.854,1374 9.723,1375 8.118,1376 12.224,1377 10.061,1378 10.309,1379 0.286,1380 0.205,1381 10.309,1382 7.387,1383 8.618,1384 0.18,1385 0.12,1386 8.618,1387 5.737,1388 7.29,1389 0.112,1390 0.067,1391 7.29,1392 4.334,1393 5.918,1394 0.07,1395 0.037,1396 5.918,1397 3.137,1398 0.317,1399 75.766,1400 0.235,1401 24.929,1402 0.508,1403 126,1404 293.449,1405 136.889,1406 279.808,1407 387.35,1408 264,1409 147,1410 289.064,1411 156.645,1412 288.651,1413 426.98,1414 274,1415 6.772}
{0 CHEMBL292695,1 1.365,2 13.105,3 7.58,4 57.459,5 152.44,6 7.094,7 0.558,8 4.35,9 4.468,10 3.894,11 3.947,12 5.383,13 3.909,14 4.904,15 5.071,16 4.287,17 4.372,18 5.905,19 4.313,20 5.191,21 5.384,22 4.361,23 4.549,24 6.085,25 4.456,26 5.362,27 5.611,28 4.327,29 4.575,30 6.199,31 4.459,32 5.349,33 5.579,34 4.384,35 4.589,36 6.262,37 4.484,38 5.39,39 5.625,40 4.395,41 4.627,42 6.287,43 4.524,44 5.319,45 5.525,46 4.379,47 4.662,48 6.246,49 4.542,50 5.386,51 5.632,52 4.246,53 4.61,54 6.287,55 4.463,56 0.055,57 0.972,58 15.084,59 6.699,60 11.525,61 8.969,62 0.404,63 1.677,64 28.227,65 11.282,66 37.846,67 15.546,68 0.237,69 2.176,70 38.481,71 15.451,72 34.34,73 21.265,74 0.417,75 2.559,76 48.543,77 17.461,78 49.816,79 24.821,80 0.405,81 2.422,82 47.448,83 18.368,84 58.087,85 25.271,86 0.594,87 2.455,88 50.699,89 19.213,90 70.938,91 25.87,92 0.365,93 2.379,94 44.474,95 18.751,96 48.786,97 25.574,98 0.478,99 2.484,100 49.828,101 19.9,102 68.458,103 27.518,104 10,105 62,106 0.211,107 0.494,108 0.666,109 0.783,110 0.834,111 0.859,112 3.668,113 0.927,114 -6.5,115 -6.33,116 -5.87,121 46.5,122 2,123 1,125 1,127 3,130 1,144 17,145 4,146 3,161 1,176 22,179 2,180 9,183 2,185 2,187 23,192 12,197 3,200 15,206 15,211 3,214 9,218 1,219 17,224 2,227 18,231 1,232 7,237 1,239 29,243 1,244 5,247 1,249 2,251 36,255 1,256 3,259 1,264 30,269 7,274 1,277 23,281 2960,282 26.048,283 26.048,284 26.048,285 26.048,286 26.048,287 22.926,288 32.812,289 15.437,290 26.392,291 21.291,292 21.291,293 21.291,294 21.291,295 21.291,296 16.769,297 47.706,298 7.415,299 21.88,300 4.784,301 2.952,302 1.84,303 1.081,304 0.748,305 0.585,306 4.385,313 1107,314 3.873,317 147.14,318 434.733,320 119.675,321 132.126,324 181.201,325 2.111,326 22.981,329 0.5,330 0.5,331 0.67,332 0.6,333 0.5,334 0.67,335 1,336 0.63,337 79.5,338 498,339 4.842,340 3.989,341 8.016,342 4.724,343 3.748,344 4.212,345 2.186,346 15.396,347 3.663,348 4.19,349 3.68,350 6.312,351 3.814,352 2.843,353 3.788,354 1.042,355 9.241,356 2.765,357 4.002,358 2.991,359 6.247,360 3.676,361 2.713,362 3.466,363 0.843,364 9.03,365 2.615,366 3.924,367 2.942,368 6.054,369 3.621,370 2.651,371 3.451,372 0.366,373 8.702,374 2.577,375 3.891,376 2.903,377 5.515,378 3.514,379 2.543,380 3.302,381 0.265,382 7.422,383 2.474,384 3.645,385 2.673,386 5.383,387 3.306,388 2.34,389 2.872,390 0.114,391 6.938,392 2.235,393 3.47,394 2.492,395 5.31,396 3.218,397 2.259,398 2.61,400 6.758,401 2.146,402 3.31,403 2.41,404 4.909,405 2.942,406 1.971,407 2.469,409 5.464,410 1.896,411 2.954,412 1.805,413 4.747,414 2.58,415 1.608,416 2.118,418 4.779,419 1.56,420 2.875,421 1.669,422 4.223,423 2.441,424 1.444,425 2.038,427 3.556,428 1.439,429 2.871,430 1.544,431 4.081,432 2.414,433 1.414,434 2.021,436 3.152,437 1.414,438 2.805,439 1.472,440 3.916,441 2.371,442 1.383,443 1.914,445 3.027,446 1.36,447 2.594,448 1.46,449 3.597,450 2.296,451 1.319,452 1.612,454 3.002,455 1.284,456 2.516,457 1.168,458 3.595,459 2.125,460 1.131,461 1.52,463 2.957,464 1.124,465 2.5,466 1,467 3.548,468 2,469 1,470 1.5,472 2.136,473 1,474 18.367,475 0.483,476 0.921,477 0.024,478 51.25,479 1.349,480 27,481 0.711,482 24.25,483 0.638,484 36.102,485 0.95,486 39.233,487 0.553,488 41.638,489 1.096,490 10.034,491 0.264,492 8.475,493 0.223,494 0.073,495 0.027,496 0.289,501 0.797,502 1.217,503 0.818,504 1.025,505 0.638,506 0.936,507 0.708,508 1.015,509 0.889,510 0.928,511 0.468,512 0.917,513 1.033,514 1.343,515 1.077,516 1.193,517 0.746,518 1.147,519 1.153,520 1.02,521 1.046,522 0.964,523 0.73,524 0.972,525 1.17,526 1.058,527 0.971,528 1.029,529 1.139,530 0.987,531 1.618,532 0.787,533 0.977,534 0.784,535 1.459,536 0.821,537 0.926,538 1.086,539 1.09,540 1.135,541 0.949,542 1.135,543 1.038,544 0.942,545 1.074,546 1.023,547 1.369,548 1.05,549 7.5,550 0.262,551 4.222,552 3.646,553 2.256,554 1.626,555 1.2,556 0.664,557 0.512,558 0.346,559 23044,560 50466,561 2.169,562 46.5,563 6,564 23,565 1,567 1,569 2,572 1.793,573 2.063,574 3.634,575 -0.479,582 96.947,583 1.365,584 3.198,585 4.31,586 5.069,587 5.402,588 5.565,589 3.106,590 4.932,591 5.211,592 3.845,593 2702.82,594 9.216,595 43932.6,600 436.632,601 1.383,602 5.19,603 0.174,604 0.006,605 0.068,606 0.057,607 0.038,608 0.025,609 0.018,610 0.01,611 0.009,612 0.007,613 0.413,614 0.33,615 0.63,616 0.427,617 208.97,618 0.013,619 -0.11,620 0.071,621 -0.022,622 -0.034,623 0.021,624 0.298,625 0.09,626 0.052,627 0.043,628 0.197,629 0.027,630 -0.051,631 -0.295,632 -0.123,633 -0.217,634 -0.032,635 -0.187,636 -0.089,637 0.035,638 -0.042,639 -0.021,640 0.036,641 -0.019,642 0.032,643 -0.064,644 0.03,645 -0.053,646 0.053,647 -0.016,648 -0.126,649 0.181,650 0.052,651 0.196,652 -0.115,653 0.148,654 -0.002,655 -0.095,656 -0.135,657 -0.133,658 -0.053,659 -0.147,660 -0.024,661 0.023,662 -0.082,663 -0.033,664 -0.123,665 -0.059,666 2.141,667 5.751,668 0.789,669 50.363,670 0.989,671 1.115,672 5.269,673 27.761,674 0.681,675 3.784,676 4.143,677 4.466,678 4.812,679 5.094,680 5.242,681 5.505,682 5.707,683 5.869,684 6.031,685 7.79,686 0.639,687 503.69,688 3.784,689 5.352,690 6.229,691 7.14,692 8.044,693 8.971,694 9.894,695 10.834,696 11.77,697 12.719,698 4.2,701 1,704 1,705 1,715 17,720 7,722 24,736 1,737 1,741 71,743 25,744 4,745 43,747 76,748 33,749 24,750 7,751 17,756 6,757 9,763 2,764 1,766 1,767 1,770 1,772 25,773 8,777 1,782 1,786 1,793 33,794 5,795 1,796 5,802 3,808 0.667,809 2,825 1,828 2,829 4,831 1,832 1,835 1,855 1,859 4,864 2,868 38,876 4,877 1,878 1,880 1,881 2,882 1,893 2.8,896 1,898 1,901 18.417,902 13.233,903 8.181,904 4.296,907 3.238,908 1.365,909 1.006,910 6.69,911 12.114,912 4.043,913 4.625,914 5.156,915 5.705,916 6.22,917 6.326,918 6.733,919 7.134,920 7.472,921 7.84,922 0.889,923 64,924 14.088,926 6.076,927 0.026,929 7.524,931 27.617,933 23.592,936 2.024,937 76.917,941 376.675,942 217.86,943 24.259,945 36.145,948 217.86,949 412.82,950 24.259,951 17.65,952 26.862,953 161.096,954 25.145,955 40.748,956 18.534,957 364.904,959 376.675,960 242.119,961 36.145,964 353.133,965 59.687,968 47.637,969 194.482,972 376.675,973 60.404,974 217.86,977 376.675,978 39.113,979 184.995,980 18.011,981 36.145,982 376.675,983 60.404,984 217.86,986 0.584,987 0.343,988 0.194,989 0.11,990 32,991 13,992 0.092,993 7,994 2,995 1.133,996 4.768,997 398.259,998 0.133,999 30,1000 189.421,1005 24.723,1006 10.282,1007 4.856,1009 60.404,1010 35.192,1015 7.386,1017 18.011,1018 654.939,1019 56,1024 12.751,1028 -0.475,1031 70.214,1032 79.142,1034 0.222,1035 0.52,1036 0.701,1037 0.824,1038 0.878,1039 0.905,1040 5.303,1041 1.971,1042 6.236,1043 6.758,1044 4.828,1045 5.313,1046 2.554,1047 7.128,1048 4.772,1049 6.506,1050 1.608,1051 7.841,1052 5.464,1053 4.511,1054 5.007,1055 1.905,1056 8.38,1057 4.424,1058 7.819,1059 1.444,1060 9.567,1061 4.779,1062 6.512,1063 7.427,1064 3.56,1065 11.558,1066 6.397,1067 9.167,1068 1.414,1069 11.375,1070 3.556,1071 7.083,1072 7.908,1073 3.622,1074 13.786,1075 6.944,1076 10.553,1077 1.383,1078 13.242,1079 3.152,1080 8.579,1081 9.819,1082 4.92,1083 16.606,1084 8.418,1085 11.967,1086 1.319,1087 15.156,1088 3.027,1089 9.568,1090 10.694,1091 5.296,1092 19.187,1093 9.386,1094 13.406,1095 1.131,1096 17.106,1097 3.002,1098 10.905,1099 12.37,1100 6.39,1101 21.936,1102 10.704,1103 3.748,1104 1,1105 19.084,1106 2.957,1107 12.082,1108 13.466,1109 6.932,1110 24.625,1111 11.861,1112 2.843,1113 15.396,1114 21.086,1115 2.136,1116 13.383,1117 15.018,1118 7.902,1119 27.361,1120 13.142,1121 2.713,1122 9.241,1123 23.105,1124 4.212,1125 14.641,1126 16.244,1127 8.54,1128 30.082,1129 14.38,1130 2.651,1131 9.03,1132 25.138,1133 3.788,1134 15.943,1135 17.73,1136 9.436,1137 32.816,1138 15.66,1139 2.543,1140 8.702,1141 27.183,1142 3.466,1143 17.235,1144 19.036,1145 10.13,1146 35.546,1147 16.931,1148 2.34,1149 7.422,1150 29.236,1151 3.451,1152 18.542,1153 20.487,1154 10.981,1155 38.28,1156 18.218,1157 2.259,1158 6.938,1159 31.295,1160 3.302,1161 19.85,1162 21.841,1163 11.71,1164 41.012,1165 19.503,1166 21236,1167 31582,1168 29.413,1169 48.347,1170 65.391,1171 66.171,1172 66.65,1173 64.835,1174 64.845,1175 83.08,1176 9.634,1177 192.926,1178 63.13,1179 5.813,1180 5.989,1181 7.818,1182 5.815,1183 5.748,1184 7.212,1185 3.889,1186 23.974,1187 5.663,1188 14.249,1189 1.521,1190 1.539,1191 1.55,1192 1.508,1193 1.508,1194 1.932,1195 0.224,1196 4.487,1197 1.468,1198 4.117,1199 4.155,1200 4.063,1201 4.021,1202 7.435,1203 4.027,1204 3.926,1205 3.96,1206 3.864,1207 3.856,1208 4.86,1209 3.852,1210 3.899,1211 3.931,1212 3.826,1213 3.839,1214 4.749,1215 3.832,1216 3.88,1217 3.909,1218 3.807,1219 3.825,1220 4.746,1221 3.817,1222 3.679,1223 3.718,1224 3.597,1225 3.551,1226 4.733,1227 3.553,1228 3.388,1229 3.416,1230 3.333,1231 3.126,1232 4.401,1233 3.161,1234 3.252,1235 3.329,1236 3.121,1237 3.077,1238 4.108,1239 3.075,1240 3.218,1241 3.29,1242 3.066,1243 3.039,1244 3.913,1245 3.044,1246 0.113,1247 0.093,1248 0.186,1249 0.11,1250 0.087,1251 4.842,1252 0.098,1253 3.989,1254 0.051,1255 8.016,1256 0.358,1257 4.724,1258 0.085,1259 3.748,1260 4.212,1261 2.186,1262 15.396,1263 3.663,1264 1.931,1265 1.905,1266 2.051,1267 2.034,1268 1.311,1269 2.038,1270 1.915,1271 1.885,1272 2.037,1273 2.013,1274 1.218,1275 2.022,1276 1.909,1277 1.879,1278 2.035,1279 1.993,1280 1.163,1281 2.009,1282 1.883,1283 1.859,1284 1.996,1285 1.96,1286 1.135,1287 1.973,1288 1.611,1289 1.562,1290 1.808,1291 1.769,1292 0.996,1293 1.783,1294 1.494,1295 1.421,1296 1.712,1297 1.716,1298 0.96,1299 1.723,1300 1.241,1301 1.202,1302 1.553,1303 1.542,1304 0.655,1305 1.492,1306 1.208,1307 1.13,1308 1.482,1309 1.418,1310 0.604,1311 1.469,1312 4.466,1314 5.814,1315 3.045,1316 7.362,1317 5.638,1318 9.006,1319 7.934,1320 10.708,1322 4.332,1328 3.789,1329 2.878,1330 5.786,1332 0.217,1333 5.14,1334 -0.079,1340 45.396,1341 96.947,1342 227.055,1343 306.026,1344 359.903,1345 383.513,1346 395.122,1347 56.271,1348 8.876,1349 44.81,1350 44.81,1351 34,1352 13.212,1353 4.7,1354 3.807,1355 52.823,1356 173,1357 194,1358 0.146,1359 273.277,1360 477.96,1361 658.555,1362 95985,1364 26.114,1365 0.687,1366 0.577,1367 26.114,1368 21.932,1369 18.509,1370 0.43,1371 0.309,1372 13.172,1373 18.078,1374 12.771,1375 10.601,1376 18.509,1377 13.287,1378 17.022,1379 0.275,1380 0.171,1381 17.022,1382 10.619,1383 14.615,1384 0.17,1385 0.093,1386 14.615,1387 8.039,1388 12.854,1389 0.105,1390 0.05,1391 12.854,1392 6.154,1393 10.857,1394 0.067,1395 0.028,1396 10.857,1397 4.486,1398 0.228,1399 113.968,1400 0.184,1401 34.211,1402 0.409,1403 210,1404 495.094,1405 224.025,1406 490.032,1407 690.91,1408 462,1409 253,1410 526.796,1411 267.808,1412 539.62,1413 795.17,1414 508,1415 5.754}
{0 CHEMBL292788,1 1.51,2 11.852,3 2.177,4 4.738,5 105.49,6 6.571,7 0.2,8 4.14,9 4.274,10 3.612,11 3.567,12 5.078,13 3.548,14 4.77,15 4.981,16 4.006,17 4.016,18 5.684,19 3.976,20 5.019,21 5.235,22 4.062,23 4.244,24 5.85,25 4.15,26 5.183,27 5.452,28 3.944,29 4.278,30 5.969,31 4.133,32 5.127,33 5.401,34 3.766,35 4.129,36 5.969,37 3.958,38 4.979,39 5.29,40 3.605,41 3.855,42 5.76,43 3.705,44 4.594,45 4.814,46 3.567,47 3.575,48 5.653,49 3.525,50 4.483,51 4.685,52 3.484,53 3.49,54 5.681,55 3.455,56 0.02,57 0.841,58 14.103,59 5.005,60 6.903,61 7.482,62 0.542,63 1.368,64 28.009,65 8.091,66 37.597,67 12.631,68 0.403,69 1.701,70 35.247,71 11.659,72 30.312,73 17.56,74 0.42,75 1.799,76 41.667,77 13.236,78 41.496,79 20.587,80 0.544,81 1.554,82 39.781,83 12.501,84 54.031,85 19.21,86 0.55,87 1.189,88 34.934,89 9.962,90 44.227,91 15.549,92 0.42,93 0.878,94 24.119,95 6.535,96 40.808,97 9.615,98 0.733,99 0.82,100 22.2,101 5.144,102 65.324,103 7.82,104 17,105 44,106 0.252,107 0.536,108 0.761,109 0.849,110 0.849,111 0.849,112 3.34,113 0.982,114 -2.76,115 -2.77,116 -2.69,121 35.1,122 1,123 1,125 1,126 2,127 7,130 1,144 3,145 1,146 2,161 1,176 5,179 2,180 7,183 2,187 6,191 1,192 8,195 1,200 5,206 5,211 2,214 3,218 3,219 5,224 2,227 2,231 1,232 1,235 1,237 1,243 1,244 4,247 1,249 2,255 3,256 2,259 1,269 1,281 1112,282 18.101,283 18.101,284 18.101,285 18.101,286 18.101,287 17.285,288 30.045,289 10.525,290 18.748,291 14.783,292 14.783,293 14.783,294 14.783,295 14.783,296 13.416,297 40.833,298 4.989,299 15.773,300 4.323,301 2.62,302 1.267,303 0.741,304 0.741,305 0.741,306 4.033,311 1,312 1,313 705,314 3.674,317 109.555,318 156.07,320 88.367,321 93.984,324 131.236,325 1.805,326 22.445,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 59,338 320,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 3.983,349 3.663,350 6.211,351 3.641,352 2.691,353 3.318,354 0.966,355 8.829,356 2.559,357 3.687,358 2.886,359 6.169,360 3.45,361 2.529,362 2.887,363 0.86,364 8.458,365 2.327,366 3.523,367 2.82,368 5.453,369 3.39,370 2.454,371 2.612,372 0.8,373 7.193,374 2.278,375 3.466,376 2.742,377 5.339,378 3.297,379 2.365,380 2.507,381 0.693,382 6.961,383 2.188,384 3.301,385 2.506,386 4.861,387 2.973,388 2.016,389 2.419,390 0.366,391 5.463,392 1.913,393 2.619,394 2.176,395 4.694,396 2.448,397 1.547,398 1.632,400 4.377,401 1.402,402 2.556,403 1.747,404 4.214,405 2.395,406 1.47,407 1.555,409 3.21,410 1.339,411 2.517,412 1.522,413 3.725,414 2.128,415 1.134,416 1.519,418 3.06,419 1.126,420 2.086,421 1.256,422 3.664,423 1.952,424 1.014,425 1.054,427 2.222,428 0.946,429 2,430 1.171,431 3.287,432 1.938,433 1,434 1,436 2.136,437 0.926,438 1.783,439 0.929,440 3.247,441 1.691,442 0.726,443 0.757,445 1.803,446 0.699,447 1.235,448 0.716,449 3.087,450 0.951,451 0.043,452 0.046,454 0.111,455 0.039,456 1,457 0.37,458 2.83,459 0.762,460 -0.204,461 -0.23,463 -0.483,464 -0.194,465 0.762,466 -0.016,467 2.579,468 0.637,469 -0.306,470 -0.324,472 -0.751,473 -0.287,474 12.6,475 0.467,476 0.771,477 0.029,478 27.5,479 1.019,480 8.5,481 0.315,482 19,483 0.704,484 27.647,485 1.024,486 31.8,487 0.558,488 20.433,489 0.757,490 5.328,491 0.197,492 7.659,493 0.284,494 0.146,495 0.04,496 0.294,501 0.856,502 1.77,503 0.884,504 1.415,505 0.63,506 1.183,507 1.07,508 0.924,509 0.948,510 0.799,511 0.54,512 0.825,513 0.995,514 1.207,515 1.102,516 1.166,517 0.739,518 1.152,519 0.845,520 1.055,521 1.041,522 1.087,523 0.776,524 1.085,525 0.851,526 1.092,527 1.044,528 1.165,529 1.138,530 1.147,531 1.005,532 0.728,533 0.75,534 0.746,535 1.043,536 0.719,537 1.893,538 1.094,539 1.085,540 1.035,541 2.523,542 0.969,543 2.236,544 0.809,545 1.367,546 0.738,547 3.693,548 0.902,549 6,550 0.139,551 3.778,552 3.333,553 1.317,554 0.792,555 0.532,556 0.379,557 0.254,558 0.109,559 9709,560 20728,561 2.088,562 52.6,563 3,564 23,565 1,567 1,569 2,572 1.695,573 1.94,574 3.462,575 -0.309,576 1,577 1,582 86.075,583 1.51,584 3.213,585 4.566,586 5.091,587 5.091,588 5.091,589 2.898,590 4.282,591 4.725,592 3.675,593 1289.94,594 8.172,595 16900.6,597 1,599 1,600 332.475,601 1.596,602 4.673,603 0.2,604 0.008,605 0.086,606 0.074,607 0.035,608 0.027,609 0.02,610 0.015,611 0.011,612 0.005,613 0.482,614 0.5,615 1,616 0.584,617 135.304,618 -0.009,619 -0.399,620 0.093,621 -0.181,622 -0.016,623 -0.049,624 0.058,625 0.275,626 0.08,627 0.225,628 0.166,629 0.171,630 -0.079,631 -0.062,632 -0.125,633 -0.08,634 -0.033,635 -0.109,636 -0.077,637 -0.034,638 -0.089,639 -0.077,640 0.011,641 -0.078,642 0.054,643 -0.15,644 -0.08,645 -0.175,646 -0.05,647 -0.156,648 0.073,649 0.08,650 0.239,651 0.154,652 0.008,653 0.215,654 -0.121,655 -0.163,656 0.004,657 -0.076,658 -0.155,659 -0.032,660 -0.085,661 0.194,662 -0.209,663 0.158,664 -0.221,665 -0.024,666 2.056,667 5.183,668 0.667,669 26.071,670 0.998,671 1.141,672 1.528,673 2.334,674 0.619,675 3.434,676 3.807,677 4.127,678 4.454,679 4.644,680 4.71,681 4.883,682 4.949,683 4.92,684 4.927,685 6.93,686 0.58,687 374.54,688 3.434,689 5.004,690 5.883,691 6.801,692 7.707,693 8.639,694 9.561,695 10.502,696 11.436,697 12.385,698 7,701 2,704 1,705 1,715 3,720 3,722 6,736 1,737 1,741 57,743 7,744 1,745 30,747 60,748 20,749 6,750 3,751 3,756 4,757 7,763 1,764 1,766 1,767 1,770 1,772 7,773 13,777 1,782 1,786 1,790 1,793 30,794 7,795 1,796 7,802 4,808 0.5,809 3,825 1,828 2,829 2,831 1,832 1,835 1,855 2,858 1,859 2,864 3,868 27,876 8,877 1,878 2,880 1,881 3,882 1,893 5.3,896 1,897 1,898 1,901 13.917,902 10.933,903 5.819,904 3.49,907 1.262,908 1.165,909 0.943,910 5.339,911 8.914,912 3.555,913 4.052,914 4.525,915 5.039,916 5.494,917 5.734,918 6.09,919 6.331,920 6.387,921 6.411,922 0.875,923 45,924 10.058,926 4.289,927 0.026,929 7.565,931 19.834,933 16.87,936 2.065,937 55.75,941 341.362,942 94.243,943 27.384,945 47.145,948 94.243,949 388.507,950 27.384,951 25.618,952 40.259,953 28.429,954 36.145,955 31.559,956 18.534,957 329.591,959 341.362,960 121.626,961 47.145,964 317.82,965 59.687,966 11,968 55.332,969 66.294,972 341.362,973 74.528,974 94.243,977 341.362,978 40.196,979 63.42,980 18.011,981 47.145,982 341.362,983 74.528,984 94.243,986 0.591,987 0.353,988 0.197,989 0.102,990 23,991 10,992 0.083,993 5,994 2,995 1.222,996 3.921,997 233.962,998 0.222,999 18,1000 124.382,1005 18.999,1006 7.587,1007 3.558,1009 74.528,1010 6.011,1015 3.12,1017 18.011,1018 510.133,1019 34,1024 12.183,1028 -0.389,1031 56.876,1032 65.019,1034 0.259,1035 0.551,1036 0.783,1037 0.873,1038 0.873,1039 0.873,1040 4.864,1041 1.47,1042 5.916,1043 4.377,1044 4.489,1045 4.736,1046 2.654,1047 6.841,1048 4.376,1049 6.043,1050 1.134,1051 7.55,1052 3.21,1053 4.29,1054 4.62,1055 1.961,1056 8.207,1057 4.165,1058 7.367,1059 1.014,1060 9.308,1061 3.06,1062 6.217,1063 6.757,1064 3.576,1065 11.382,1066 6.03,1067 8.729,1068 1,1069 11.149,1070 2.222,1071 6.889,1072 7.465,1073 3.621,1074 13.68,1075 6.715,1076 10.135,1077 0.726,1078 13.049,1079 2.136,1080 8.354,1081 9.162,1082 4.921,1083 16.509,1084 8.14,1085 11.574,1086 0.043,1087 14.992,1088 1.803,1089 9.412,1090 10.243,1091 5.294,1092 19.114,1093 9.209,1094 13.038,1095 -0.204,1096 16.967,1097 0.111,1098 10.747,1099 11.786,1100 6.39,1101 21.866,1102 10.52,1103 3.737,1104 -0.306,1105 18.969,1106 -0.483,1107 11.965,1108 13.044,1109 6.931,1110 24.56,1111 11.736,1112 2.691,1113 15.306,1114 20.989,1115 -0.751,1116 13.273,1117 14.526,1118 7.902,1119 27.295,1120 13.026,1121 2.529,1122 8.829,1123 23.024,1124 4.206,1125 14.552,1126 15.872,1127 8.539,1128 30.013,1129 14.294,1130 2.454,1131 8.458,1132 25.07,1133 3.318,1134 15.861,1135 17.328,1136 9.436,1137 32.743,1138 15.584,1139 2.365,1140 7.193,1141 27.124,1142 2.887,1143 17.163,1144 18.718,1145 10.13,1146 35.468,1147 16.87,1148 2.016,1149 6.961,1150 29.184,1151 2.612,1152 18.475,1153 20.162,1154 10.981,1155 38.197,1156 18.163,1157 1.547,1158 5.463,1159 31.25,1160 2.507,1161 19.786,1162 21.574,1163 11.71,1164 40.924,1165 19.455,1166 9152,1167 13489,1168 19.879,1169 35.285,1170 45.708,1171 46.762,1172 47.645,1173 45.408,1174 45.45,1175 51.026,1176 11.742,1177 138.257,1178 42.796,1179 5.832,1180 5.973,1181 7.808,1182 5.817,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 13.109,1189 1.524,1190 1.559,1191 1.588,1192 1.514,1193 1.515,1194 1.701,1195 0.391,1196 4.609,1197 1.427,1198 4.091,1199 4.13,1200 4.038,1201 3.995,1202 7.435,1203 4,1204 3.822,1205 3.887,1206 3.705,1207 3.599,1208 4.835,1209 3.614,1210 3.706,1211 3.748,1212 3.622,1213 3.563,1214 4.627,1215 3.566,1216 3.533,1217 3.592,1218 3.431,1219 3.275,1220 4.451,1221 3.299,1222 3.307,1223 3.394,1224 3.149,1225 3.075,1226 4.206,1227 3.08,1228 3.251,1229 3.344,1230 3.058,1231 3.041,1232 4.068,1233 3.03,1234 3.146,1235 3.206,1236 2.999,1237 2.941,1238 3.901,1239 2.91,1240 3.111,1241 3.187,1242 2.866,1243 2.849,1244 3.851,1245 2.89,1246 0.161,1247 0.132,1248 0.267,1249 0.157,1250 0.125,1251 4.832,1252 0.14,1253 3.973,1254 0.073,1255 8.006,1256 0.51,1257 4.714,1258 0.122,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.903,1265 1.884,1266 2.005,1267 2.006,1268 1.31,1269 2.001,1270 1.745,1271 1.68,1272 1.963,1273 1.981,1274 1.261,1275 1.981,1276 1.633,1277 1.577,1278 1.832,1279 1.836,1280 1.058,1281 1.837,1282 1.535,1283 1.456,1284 1.788,1285 1.77,1286 1.013,1287 1.779,1288 1.452,1289 1.386,1290 1.712,1291 1.723,1292 0.966,1293 1.722,1294 1.23,1295 1.145,1296 1.579,1297 1.501,1298 0.825,1299 1.528,1300 1.153,1301 1.064,1302 1.513,1303 1.376,1304 0.644,1305 1.429,1306 1.017,1307 0.977,1308 1.453,1309 1.353,1310 0.563,1311 1.354,1312 4.111,1314 5.468,1315 3.045,1316 7.024,1317 5.638,1318 8.679,1319 7.921,1320 10.397,1322 6.642,1328 6.966,1329 2.856,1330 10.894,1332 0.366,1333 7.028,1334 0.074,1340 33.078,1341 86.075,1342 183.144,1343 260.236,1344 290.21,1345 290.21,1346 290.21,1347 42.213,1348 7.652,1349 57.28,1350 57.28,1351 22,1352 12.878,1353 3,1354 2.322,1355 40.578,1356 112,1357 119,1358 0.176,1359 200.5,1360 354.03,1361 480.98,1362 22856,1364 19.018,1365 0.704,1366 0.612,1367 19.018,1368 16.533,1369 12.987,1370 0.433,1371 0.327,1372 9.625,1373 12.275,1374 9.324,1375 7.671,1376 12.987,1377 9.823,1378 12.132,1379 0.276,1380 0.184,1381 12.132,1382 8.082,1383 10.384,1384 0.17,1385 0.103,1386 10.384,1387 6.313,1388 9.153,1389 0.108,1390 0.058,1391 9.153,1392 4.903,1393 7.027,1394 0.068,1395 0.031,1396 7.027,1397 3.228,1398 0.282,1399 82.664,1400 0.224,1401 26.242,1402 0.466,1403 148,1404 398.475,1405 165.986,1406 370.597,1407 508.13,1408 350,1409 179,1410 372.278,1411 197.603,1412 373.784,1413 555.23,1414 349,1415 6.155}
{0 CHEMBL29300,1 1.829,2 7.294,3 -0.008,5 65.742,6 7.687,7 0.294,8 3.624,9 3.745,10 3.415,11 3.013,12 4.751,13 2.973,14 4.163,15 4.378,16 3.573,17 3.343,18 5.456,19 3.299,20 4.32,21 4.51,22 3.48,23 3.516,24 5.469,25 3.424,26 4.495,27 4.723,28 3.358,29 3.516,30 5.58,31 3.379,32 4.478,33 4.789,34 3.308,35 3.332,36 5.465,37 3.191,38 4.18,39 4.421,40 3.295,41 3.225,42 5.299,43 3.104,44 4.118,45 4.36,46 3.221,47 3.108,48 5.347,49 2.995,50 3.918,51 4.162,52 2.827,53 2.801,54 5.222,55 2.665,56 0.164,57 0.497,58 10.655,59 2.693,60 21.477,61 3.887,62 0.494,63 0.698,64 18.401,65 4.061,66 46.519,67 5.978,68 0.479,69 0.781,70 21.716,71 5.922,72 50.193,73 7.722,74 0.578,75 0.783,76 23.612,77 5.919,78 68.691,79 9.184,80 0.652,81 0.649,82 24.56,83 5.079,84 60.984,85 8.335,86 0.446,87 0.564,88 18.969,89 4.57,90 49.042,91 6.402,92 0.468,93 0.496,94 18.357,95 4.097,96 38.724,97 5.972,98 0.404,99 0.346,100 16.376,101 3.287,102 51.217,103 4.668,104 47,105 24,106 0.345,107 0.611,108 0.769,109 0.836,110 0.847,111 0.847,112 2.906,113 1.227,114 -0.36,115 -0.49,116 -0.65,121 26.5,126 3,127 2,147 1,153 1,157 1,163 1,172 1,179 3,182 1,191 2,194 1,209 1,213 1,218 2,221 1,231 1,246 2,247 1,255 2,272 2,281 317,282 10.602,283 10.602,284 10.602,285 10.602,286 10.602,287 9.227,288 14.953,289 6.163,290 11.017,291 8.294,292 8.294,293 8.294,294 8.294,295 8.294,296 6.361,297 18.853,298 2.78,299 8.939,300 3.258,301 1.849,302 1.008,303 0.655,304 0.596,305 0.596,306 3.521,311 1,312 1,313 237,314 3.808,317 54.064,325 1.135,326 21.914,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 39,338 124,339 4.732,340 4.37,341 7.053,342 4.22,343 3.286,344 4.505,345 1.697,346 11.339,347 3.049,348 4.398,349 3.631,350 6.47,351 3.939,352 3.02,353 4.086,354 0.4,355 10.002,356 2.773,357 3.188,358 3.069,359 4.962,360 2.854,361 1.938,362 2.349,364 5.474,365 1.774,366 3.041,367 2.299,368 4.38,369 2.484,370 1.55,371 2.129,373 4.099,374 1.448,375 2.722,376 1.947,377 4.098,378 2.407,379 1.484,380 1.711,382 3.561,383 1.36,384 2.362,385 1.453,386 3.181,387 1.82,388 0.863,389 1.222,391 1.618,392 0.823,393 1.596,394 0.798,395 3.058,396 1.436,397 0.485,398 0.521,400 1.035,401 0.459,402 1,403 0.577,404 2.382,405 0.78,406 -0.186,407 -0.2,409 -0.343,410 -0.179,411 0.921,412 0.356,413 2,414 0.09,415 -0.84,416 -1,418 -1.559,419 -0.778,420 0.424,421 -0.198,422 2,424 -1,425 -1.131,427 -2.585,428 -0.782,429 0.308,430 -0.734,431 2,432 -0.1,433 -1,434 -1.189,436 -3,437 -0.9,438 0.192,439 -1,440 1.828,441 -0.197,442 -1,443 -1.603,445 -3,446 -1,447 -0.188,448 -1.2,449 1.493,450 -0.474,451 -1.406,452 -1.905,454 -3.47,455 -1.315,456 -0.313,457 -1.447,458 1.385,459 -0.676,460 -1.625,461 -2,463 -4.614,464 -1.549,465 -0.488,466 -1.631,467 0.829,468 -0.794,469 -1.707,470 -2.25,472 -5.423,473 -1.557,474 7.933,475 0.467,476 0.642,477 0.038,478 19,479 1.118,480 7.5,481 0.441,482 11.5,483 0.676,484 12.792,485 0.752,486 21.167,487 0.623,488 14.086,489 0.829,490 4.004,491 0.236,492 3.855,493 0.227,494 0.315,495 0.105,496 0.214,501 0.616,502 2.14,503 0.886,504 1.672,505 0.713,506 1.273,507 0.792,508 1.032,509 1.037,510 0.922,511 0.473,512 0.77,513 1.155,514 1.026,515 1.394,516 1.284,517 1.102,518 1.215,519 0.966,520 1.358,521 1.043,522 1.222,523 1.119,524 1.373,525 0.797,526 0.638,527 0.636,528 0.546,529 0.704,530 0.689,531 1.156,532 0.902,533 0.969,534 0.925,535 1.034,536 0.932,537 0.932,538 0.996,539 0.993,540 1.063,541 1.049,542 0.988,543 1.111,544 1.062,545 1.299,546 1.352,547 1.231,548 1.208,549 5,551 2.889,552 1.292,553 0.65,554 0.524,555 0.449,556 0.341,557 0.074,559 1956,560 7508,561 1.794,562 50,564 13,565 1,566 2,567 1,572 1.57,573 1.606,574 2.876,575 -0.025,577 1,582 62.203,583 1.829,584 3.239,585 4.08,586 4.433,587 4.491,588 4.491,589 2.278,590 3.572,591 4.061,592 3.03,593 412.113,594 6.867,595 3831.54,597 1,600 172.974,601 1.792,602 3.94,603 0.294,605 0.12,606 0.059,607 0.038,608 0.033,609 0.03,610 0.024,611 0.009,613 0.608,614 0.5,615 1,616 1.978,617 70.814,618 0.128,619 -0.652,620 0.266,621 -0.257,622 -0.104,623 -0.121,624 0.085,625 0.172,626 0.028,627 0.152,628 0.258,629 0.208,630 -0.231,631 0.19,632 -0.349,633 -0.114,634 -0.142,635 -0.172,636 -0.089,637 -0.357,638 -0.228,639 -0.298,640 -0.173,641 -0.376,642 0.042,643 0.146,644 0.19,645 0.188,646 0.017,647 0.212,648 -0.158,649 0.058,650 0.034,651 0.086,652 -0.105,653 0.054,654 0.073,655 -0.049,656 0.038,657 -0.052,659 -0.011,660 -0.022,661 -0.143,662 -0.176,663 -0.307,664 -0.02,665 -0.253,666 4.078,667 4.213,668 0.294,669 10.879,670 1.021,671 1.154,672 -0.872,673 0.76,674 0.617,675 2.89,676 3.219,677 3.332,678 3.367,679 3.332,680 3.296,681 3.296,682 3.219,683 2.833,684 1.946,685 4.668,686 0.584,687 261.37,688 2.89,689 4.419,690 5.22,691 6.084,692 6.915,693 7.778,694 8.617,695 9.48,696 10.323,697 11.185,698 11.8,701 1,706 1,707 1,708 1,715 2,720 1,721 2,722 5,726 1,741 34,743 8,745 17,747 34,748 9,749 3,752 1,756 1,757 1,772 4,773 5,777 3,780 1,782 2,784 1,785 1,790 1,793 17,794 5,795 1,796 8,797 1,799 1,802 4,803 1,808 1,809 3,828 1,857 1,859 1,862 1,864 3,868 17,872 1,875 1,876 2,881 1,893 8.8,896 2,898 1,901 10.583,902 6.8,903 3.806,904 1.719,907 1.347,908 1.245,909 0.883,910 4.679,911 6.857,912 3.157,913 3.767,914 4.067,915 4.452,916 4.525,917 4.609,918 4.763,919 4.863,920 4.735,921 4.038,922 0.8,923 22,924 6.36,926 2.671,927 0.026,929 8.24,931 11.558,933 8.875,936 2.74,937 46.583,938 0.001,941 188.338,942 63.472,943 18.564,945 87.119,947 5.807,948 57.665,949 275.456,950 18.564,951 23.983,952 4.211,953 14.855,954 81.13,955 68.518,956 11.771,957 153.024,959 188.338,960 76.229,961 87.119,962 5.807,964 188.338,965 87.119,968 32.252,969 33.031,970 16.754,972 188.338,973 105.683,974 63.472,976 5.807,977 188.338,978 6.539,979 56.442,981 100.366,982 188.338,983 105.683,984 63.472,986 0.589,987 0.326,988 0.14,989 0.068,990 10,991 6,992 0.147,993 5,995 1,996 2.771,997 105.679,999 5,1000 67.487,1004 1,1005 14.153,1006 5.62,1007 3.799,1009 101.885,1010 3.602,1015 0.689,1016 3.585,1017 42.806,1018 357.493,1019 22.5,1022 -3.161,1024 22.427,1026 1.306,1027 2.977,1031 34.709,1032 39.24,1034 0.36,1035 0.637,1036 0.802,1037 0.871,1038 0.883,1039 0.883,1040 4.398,1041 -0.186,1042 5.293,1043 1.035,1044 3.892,1045 4.449,1046 1.957,1047 6.151,1048 3.741,1049 5.673,1050 -0.84,1051 6.917,1052 -0.343,1053 3.892,1054 4.783,1056 7.496,1057 3.639,1058 7.056,1059 -1,1060 8.661,1061 -1.559,1062 5.624,1063 6.819,1064 2.87,1065 10.413,1066 5.315,1067 8.485,1068 -1,1069 10.474,1070 -2.585,1071 6.382,1072 7.918,1074 12.475,1075 5.976,1076 9.948,1077 -1,1078 12.326,1079 -3,1080 7.722,1081 9.563,1082 3.887,1083 15.028,1084 7.253,1085 11.432,1086 -1.406,1087 14.204,1088 -3,1089 8.746,1090 10.916,1092 17.313,1093 8.19,1094 12.932,1095 -1.625,1096 16.098,1097 -3.47,1098 9.968,1099 12.448,1100 4.932,1101 19.762,1102 9.342,1103 3.286,1104 -1.707,1105 18.003,1106 -4.614,1107 11.084,1108 13.884,1110 22.123,1111 10.377,1112 3.02,1113 11.339,1114 19.917,1115 -5.423,1116 12.269,1117 15.382,1118 5.985,1119 24.541,1120 11.489,1121 1.938,1122 10.002,1123 21.836,1124 4.505,1125 13.418,1126 16.848,1128 26.931,1129 12.56,1130 1.55,1131 5.474,1132 23.76,1133 4.086,1134 14.592,1135 18.336,1136 7.041,1137 29.342,1138 13.66,1139 1.484,1140 4.099,1141 25.687,1142 2.349,1143 15.755,1144 19.815,1146 31.744,1147 14.746,1148 0.863,1149 3.561,1150 27.617,1151 2.129,1152 16.927,1153 21.302,1154 8.098,1155 34.155,1156 15.843,1157 0.485,1158 1.618,1159 29.549,1160 1.711,1161 18.095,1162 22.787,1164 36.565,1165 16.937,1166 2192,1167 4383,1168 9.94,1169 20.983,1170 25.548,1171 28.148,1172 26.876,1173 25.311,1174 25.253,1175 33.047,1176 4.194,1177 74.255,1178 23.373,1179 5.61,1180 6.236,1181 6.812,1182 5.259,1183 5.257,1184 7.213,1185 3.394,1186 18.043,1187 4.892,1188 11.788,1189 1.503,1190 1.656,1191 1.581,1192 1.489,1193 1.485,1194 1.944,1195 0.247,1196 4.368,1197 1.375,1198 4.057,1199 4.11,1200 4.72,1201 3.953,1202 7.716,1203 3.875,1204 3.949,1205 3.93,1206 3.978,1207 3.8,1208 6.999,1209 3.766,1210 3.397,1211 3.466,1212 3.272,1213 3.204,1214 6.546,1215 3.185,1216 3.25,1217 3.316,1218 3.16,1219 2.953,1220 4.833,1221 2.988,1222 3.12,1223 3.23,1224 2.888,1225 2.865,1226 4.139,1227 2.846,1228 2.935,1229 3.047,1230 2.641,1231 2.722,1232 4.04,1233 2.687,1234 2.655,1235 2.735,1236 2.377,1237 2.348,1238 3.835,1239 2.302,1240 2.452,1241 2.539,1242 2.258,1243 2.1,1244 3.618,1245 2.112,1246 0.278,1247 0.257,1248 0.415,1249 0.248,1250 0.193,1251 4.732,1252 0.265,1253 4.37,1254 0.1,1255 7.053,1256 0.667,1257 4.22,1258 0.179,1259 3.286,1260 4.505,1261 1.697,1262 11.339,1263 3.049,1264 1.802,1265 1.809,1266 1.888,1267 1.99,1268 1.208,1269 2.021,1270 1.639,1271 1.589,1272 1.786,1273 1.871,1274 0.95,1275 1.866,1276 1.554,1277 1.491,1278 1.655,1279 1.763,1280 0.856,1281 1.779,1282 1.249,1283 1.176,1284 1.537,1285 1.506,1286 0.635,1287 1.533,1288 1.07,1289 0.972,1290 1.401,1291 1.404,1292 0.497,1293 1.399,1294 0.977,1295 0.873,1296 1.338,1297 1.239,1298 0.344,1299 1.286,1300 0.607,1301 0.515,1302 0.952,1303 0.99,1304 0.083,1305 1.001,1306 0.524,1307 0.455,1308 0.726,1309 0.904,1311 0.923,1312 3.555,1314 4.875,1315 2.398,1316 6.365,1317 4.727,1318 7.927,1319 6.783,1320 9.526,1322 4.505,1327 8.53,1328 0.853,1333 1.271,1340 19.841,1341 62.203,1342 110.113,1343 138.709,1344 150.709,1345 152.709,1346 152.709,1347 43.131,1348 5.509,1349 78.78,1350 87.16,1351 5,1352 11.738,1353 3.17,1354 2.7,1355 38.079,1356 47,1357 43,1358 0.414,1359 132.686,1360 223.28,1361 315.515,1362 1218,1364 13.052,1365 0.768,1366 0.646,1367 13.302,1368 10.976,1369 7.858,1370 0.462,1371 0.409,1372 5.117,1373 6.479,1374 4.735,1375 4.008,1376 8.753,1377 6.953,1378 7.612,1379 0.317,1380 0.25,1381 9.041,1382 5.996,1383 5.4,1384 0.2,1385 0.146,1386 6.211,1387 3.935,1388 3.479,1389 0.124,1390 0.066,1391 3.737,1392 1.847,1393 2.378,1394 0.088,1395 0.039,1396 2.557,1397 1.046,1398 0.633,1399 60.276,1400 0.317,1401 17.134,1402 1.167,1403 82,1404 305.749,1405 128.641,1406 308.536,1407 396.24,1408 278,1409 92,1410 257.947,1411 144.207,1412 290.503,1413 400.86,1414 265,1415 5.167}
{0 CHEMBL293268,1 1.27,2 8.526,3 2.116,4 4.477,5 78.475,6 6.254,7 0.6,8 3.762,9 3.895,10 3.186,11 3.288,12 4.748,13 3.229,14 4.306,15 4.517,16 3.473,17 3.664,18 5.164,19 3.585,20 4.537,21 4.739,22 3.462,23 3.863,24 5.358,25 3.71,26 4.775,27 5.089,28 3.398,29 3.846,30 5.42,31 3.654,32 4.573,33 4.811,34 3.347,35 3.821,36 5.369,37 3.645,38 4.68,39 4.978,40 3.226,41 3.777,42 5.38,43 3.562,44 4.488,45 4.784,46 2.972,47 3.523,48 5.219,49 3.325,50 4.119,51 4.4,52 2.746,53 3.272,54 4.884,55 3.068,56 0.049,57 0.546,58 9.836,59 3.991,60 8.924,61 5.653,62 0.172,63 0.882,64 17.264,65 6.084,66 14.883,67 8.87,68 0.117,69 1.09,70 21.187,71 8.863,72 17.441,73 12.543,74 0.187,75 1.251,76 26.523,77 10.144,78 22.755,79 14.971,80 0.203,81 1.092,82 21.974,83 8.85,84 21.282,85 12.699,86 0.142,87 1.13,88 23.991,89 9.78,90 23.29,91 14.107,92 0.215,93 0.884,94 20.252,95 7.53,96 24.461,97 10.687,98 0.072,99 0.642,100 13.564,101 5.765,102 15.322,103 8.181,104 11,105 27,106 0.227,107 0.474,108 0.629,109 0.733,110 0.78,111 0.81,112 3.009,113 1.014,114 -1.08,115 -1.17,116 -1.26,121 41.5,126 3,127 2,144 9,145 2,146 1,176 10,180 2,187 10,189 2,192 2,200 5,203 4,206 1,214 1,216 3,221 1,227 4,229 2,239 7,244 1,251 8,256 2,264 6,269 2,277 3,281 437,282 12.593,283 12.593,284 12.593,285 12.593,286 12.593,287 11.119,288 15.611,289 7.615,290 12.894,291 9.859,292 9.859,293 9.859,294 9.859,295 9.859,296 7.726,297 22.904,298 3.598,299 10.271,300 4.088,301 2.711,302 1.843,303 1.263,304 1,305 0.836,306 3.665,310 1,311 1,312 1,313 335,314 3.24,318 135.657,325 1.341,326 6.503,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 39.5,338 162,339 4.306,340 3.651,341 6.776,342 4.162,343 3.244,344 3.7,345 1.31,346 11.209,347 2.986,348 4.01,349 2.905,350 5.566,351 3.607,352 2.637,353 3.498,354 0.86,355 7.613,356 2.562,357 3.769,358 2.595,359 5.274,360 3.38,361 2.393,362 3.076,363 0.359,364 6.738,365 2.349,366 3.284,367 2.317,368 4.904,369 2.927,370 1.972,371 2.516,372 0.13,373 5.647,374 1.872,375 2.866,376 1.528,377 3.673,378 2.429,379 1.432,380 2.019,382 3.058,383 1.427,384 2.673,385 1.332,386 3.501,387 2.203,388 1.213,389 1.752,391 2.635,392 1.198,393 2.5,394 1,395 3.292,396 2,397 1,398 1.5,400 2.136,401 1,402 1.584,403 0.936,404 3.247,405 1.295,406 0.431,407 0.482,409 0.627,410 0.369,411 1.216,412 0.286,413 2.788,414 0.973,420 1.019,421 0.096,422 2.673,423 0.759,424 -0.216,425 -0.25,427 -0.574,428 -0.209,429 0.595,430 -0.394,431 2,432 0.172,433 -0.769,434 -0.966,436 -1.67,437 -0.708,438 0.5,439 -0.6,440 2,442 -1,443 -1,445 -2.347,446 -0.9,447 0.382,448 -0.82,449 1.757,450 -0.022,451 -1,452 -1.243,454 -2.539,455 -0.96,456 0.301,457 -0.89,458 1.629,459 -0.037,460 -1,461 -1.33,463 -2.89,464 -0.976,466 -1,467 1.555,468 -0.1,469 -1,470 -1.5,472 -3,473 -1,474 9.233,475 0.486,476 0.498,477 0.026,478 24,479 1.263,480 12.5,481 0.658,482 11.5,483 0.605,484 13.582,485 0.715,486 21.067,487 0.514,488 15.952,489 0.84,490 5.154,491 0.271,492 3.934,493 0.207,494 0.162,495 0.043,496 0.162,501 0.971,502 1.453,503 0.975,504 1.23,505 0.99,506 1.119,507 1.802,508 0.775,509 1.049,510 0.732,511 0.988,512 0.797,513 0.908,514 1.469,515 1.292,516 1.435,517 1.098,518 1.404,519 0.676,520 0.842,521 0.764,522 0.793,523 0.596,524 0.782,525 0.906,526 1.19,527 1.235,528 1.216,529 1.244,530 1.247,531 0.577,532 1.005,533 0.926,534 1.041,535 0.753,536 1.015,537 1.776,538 0.726,539 1.049,540 0.779,541 1.496,542 0.852,543 0.531,544 1.048,545 0.95,546 1.114,547 0.839,548 1.076,549 5,550 0.021,551 1.333,552 1.563,553 0.933,554 0.604,555 0.362,556 0.069,557 0.082,558 0.041,559 3160,560 6530,561 1.982,562 53.7,564 22,572 1.602,573 1.854,574 3.093,575 -0.879,577 1,579 1,582 52.065,583 1.27,584 2.646,585 3.515,586 4.095,587 4.357,588 4.522,589 2.524,590 3.787,591 4.221,592 3.21,593 548.897,594 7.184,595 5459.71,596 1,597 1,599 1,600 219.66,601 1.483,602 4.165,603 0.25,604 0.005,605 0.049,606 0.065,607 0.041,608 0.029,609 0.02,610 0.005,611 0.007,612 0.005,613 0.477,614 0.83,615 1,616 0.868,617 82.903,618 0.081,619 -0.257,620 0.067,621 -0.123,622 -0.012,623 -0.046,624 -0.237,625 0.374,626 0.018,627 0.25,628 0.046,629 0.175,630 -0.07,631 -0.409,632 -0.31,633 -0.382,634 -0.222,635 -0.371,636 0.065,637 0.095,638 0.185,639 0.139,640 0.173,641 0.167,642 -0.012,643 -0.16,644 -0.257,645 -0.209,646 -0.296,647 -0.249,648 0.063,649 -0.077,650 0.01,651 -0.076,652 0.08,653 -0.041,654 -0.216,655 0.178,656 -0.045,657 0.146,658 -0.169,659 0.074,660 0.074,661 -0.121,662 -0.017,663 -0.121,664 0.08,665 -0.081,666 0.739,667 1.781,668 0.632,669 12.842,670 0.981,671 1.124,672 -0.154,673 0.024,674 0.645,675 3.045,676 3.332,677 3.434,678 3.664,679 3.761,680 3.638,681 3.611,682 3.584,683 3.367,684 3.332,685 5.098,686 0.592,687 256.4,688 3.045,689 4.554,690 5.342,691 6.205,692 7.008,693 7.876,694 8.684,695 9.555,696 10.366,697 11.238,698 2.4,712 1,715 9,720 3,722 12,739 1,741 41,743 12,744 2,745 20,747 42,748 17,749 12,750 3,751 9,756 2,757 2,772 12,773 5,790 1,793 22,794 1,796 2,802 1,803 1,807 1,808 1,809 1,829 2,859 2,864 3,868 19,876 2,878 1,883 1,893 2.4,898 1,901 10.25,902 8.167,903 4.25,904 2.375,907 2.017,908 1.336,909 0.92,910 4.357,911 8.028,912 3.296,913 3.829,914 4.248,915 4.76,916 5.194,917 5.007,918 5.118,919 5.31,920 5.247,921 5.614,922 0.833,923 24,924 6.996,926 2.756,927 0.026,929 7.447,931 13.793,933 10.831,936 1.947,937 37,938 0.002,941 258.964,942 128.788,945 11,948 128.788,949 269.964,951 27.676,952 4.211,953 85.286,955 22.614,957 258.964,959 258.964,960 128.788,961 11,964 258.964,965 11,968 4.211,969 124.577,972 258.964,973 11,974 128.788,977 258.964,978 15.826,979 112.962,981 11,982 258.964,983 11,984 128.788,986 0.57,987 0.304,988 0.164,989 0.087,990 12,991 5,992 0.119,993 5,995 1,996 3.143,997 129.09,999 12,1000 72.711,1005 13.787,1006 6.004,1007 4.196,1009 11,1010 18.945,1015 3.605,1018 398.752,1019 26,1031 40.207,1032 46.067,1034 0.237,1035 0.494,1036 0.656,1037 0.764,1038 0.813,1039 0.844,1040 4.5,1041 0.431,1042 5.352,1043 2.136,1044 4.007,1045 4.511,1046 1.702,1047 6.133,1048 3.928,1049 5.699,1051 6.893,1052 0.627,1053 3.761,1054 4.182,1055 0.931,1056 7.31,1057 3.564,1058 6.994,1059 -0.216,1060 8.547,1062 5.645,1063 6.595,1064 1.72,1065 10.213,1066 5.456,1067 8.319,1068 -0.769,1069 10.271,1070 -0.574,1071 6.176,1072 6.934,1073 1.505,1074 12.18,1075 5.835,1076 9.67,1077 -1,1078 12.042,1079 -1.67,1080 7.6,1081 8.903,1082 1.966,1083 14.719,1084 7.261,1085 11.039,1086 -1,1087 13.844,1088 -2.347,1089 8.477,1090 9.574,1091 2.008,1092 16.974,1093 7.987,1094 12.421,1095 -1,1096 15.67,1097 -2.539,1098 9.73,1099 11.314,1100 2.345,1101 19.42,1102 9.213,1103 3.244,1104 -1,1105 17.513,1106 -2.89,1107 10.766,1108 12.185,1109 2.509,1110 21.779,1111 10.113,1112 2.637,1113 11.209,1114 19.37,1115 -3,1116 11.956,1117 13.782,1118 2.801,1119 24.202,1120 11.252,1121 2.393,1122 7.613,1123 21.238,1124 3.7,1125 13.065,1126 14.785,1127 3.021,1128 26.598,1129 12.241,1130 1.972,1131 6.738,1132 23.114,1133 3.498,1134 14.237,1135 16.285,1136 3.297,1137 29.015,1138 13.343,1139 1.432,1140 5.647,1141 24.998,1142 3.076,1143 15.379,1144 17.378,1145 3.544,1146 31.423,1147 14.378,1148 1.213,1149 3.058,1150 26.887,1151 2.516,1152 16.547,1153 18.814,1154 3.814,1155 33.84,1156 15.466,1157 1,1158 2.635,1159 28.781,1160 2.019,1161 17.706,1162 19.969,1163 4.073,1164 36.253,1165 16.525,1166 3208,1167 4666,1168 13,1169 26.455,1170 29.184,1171 28.889,1172 29.44,1173 28.671,1174 28.646,1175 37.086,1176 5.317,1177 79.325,1178 27.526,1179 5.17,1180 5.651,1181 6.578,1182 5.162,1183 5.244,1184 6.7,1185 2.17,1186 17.866,1187 4.986,1188 8.783,1189 1.459,1190 1.444,1191 1.472,1192 1.434,1193 1.432,1194 1.854,1195 0.266,1196 3.966,1197 1.376,1198 4.006,1199 4.054,1200 3.928,1201 3.907,1202 4.869,1203 3.906,1204 3.879,1205 3.905,1206 3.81,1207 3.819,1208 4.752,1209 3.813,1210 3.663,1211 3.732,1212 3.541,1213 3.457,1214 4.41,1215 3.468,1216 3.252,1217 3.317,1218 3.072,1219 2.984,1220 4.253,1221 2.993,1222 2.998,1223 3.069,1224 2.835,1225 2.877,1226 3.674,1227 2.859,1228 2.956,1229 3.045,1230 2.75,1231 2.804,1232 3.674,1233 2.779,1234 2.874,1235 3.009,1236 2.687,1237 2.735,1238 3.636,1239 2.715,1240 2.854,1241 2.925,1242 2.551,1243 2.618,1244 3.467,1245 2.59,1246 0.215,1247 0.183,1248 0.339,1249 0.208,1250 0.162,1251 4.306,1252 0.185,1253 3.651,1254 0.066,1255 6.776,1256 0.56,1257 4.162,1258 0.149,1259 3.244,1260 3.7,1261 1.31,1262 11.209,1263 2.986,1264 1.961,1265 1.925,1266 2.099,1267 2.104,1268 1.346,1269 2.106,1270 1.884,1271 1.859,1272 2.006,1273 1.969,1274 1.111,1275 1.982,1276 1.624,1277 1.549,1278 1.85,1279 1.837,1280 0.961,1281 1.847,1282 1.201,1283 1.13,1284 1.573,1285 1.512,1286 0.585,1287 1.532,1288 1.029,1289 0.964,1290 1.417,1291 1.239,1292 0.519,1293 1.308,1294 0.994,1295 0.911,1296 1.358,1297 1.219,1298 0.492,1299 1.272,1300 0.934,1301 0.821,1302 1.321,1303 1.199,1304 0.469,1305 1.245,1306 0.886,1307 0.804,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 3.714,1314 5.004,1316 6.482,1318 8.037,1320 9.629,1322 6.224,1328 2.018,1330 5.281,1335 0.928,1340 24.268,1341 52.065,1342 108.495,1343 144.111,1344 167.885,1345 178.64,1346 185.395,1347 24.223,1348 6.011,1349 9.23,1350 9.23,1351 12,1352 11.793,1353 3.7,1354 2.807,1355 33.679,1356 57,1357 54,1358 0.29,1359 153.743,1360 261.41,1361 366.894,1362 2630,1364 13.717,1365 0.722,1366 0.633,1367 13.717,1368 12.019,1369 9.088,1370 0.454,1371 0.338,1372 6.66,1373 8.797,1374 6.352,1375 5.424,1376 9.088,1377 6.759,1378 8.383,1379 0.31,1380 0.217,1381 8.383,1382 5.855,1383 5.876,1384 0.196,1385 0.111,1386 5.876,1387 3.342,1388 4.996,1389 0.131,1390 0.067,1391 4.996,1392 2.546,1393 3.654,1394 0.087,1395 0.037,1396 3.654,1397 1.573,1398 0.449,1399 56.5,1400 0.277,1401 19.136,1402 0.808,1403 94,1404 206.068,1405 98.988,1406 204.135,1407 279.73,1408 192,1409 104,1410 202.236,1411 110.321,1412 213.415,1413 299.44,1414 196,1415 5}
{0 CHEMBL293316,1 1.31,2 6.143,3 1.142,4 1.305,5 58.19,6 6.01,7 0.429,8 3.504,9 3.646,10 2.882,11 2.958,12 4.521,13 2.902,14 4.035,15 4.264,16 3.159,17 3.301,18 4.891,19 3.231,20 4.234,21 4.44,22 3.219,23 3.543,24 5.106,25 3.413,26 4.476,27 4.762,28 3.103,29 3.602,30 5.24,31 3.404,32 4.404,33 4.7,34 2.896,35 3.453,36 5.175,37 3.233,38 4.195,39 4.5,40 2.461,41 3.105,42 4.946,43 2.883,44 3.746,45 4.06,46 1.883,47 2.714,48 4.475,49 2.428,50 3.557,51 3.966,52 1.1,53 2.189,54 4.025,55 1.807,56 0.04,57 0.424,58 7.903,59 2.912,60 8.349,61 4.307,62 0.154,63 0.643,64 13.399,65 4.171,66 12.509,67 6.436,68 0.113,69 0.798,70 16,71 6.117,72 14.536,73 8.929,74 0.187,75 0.899,76 19.521,77 7.525,78 21.717,79 11.085,80 0.123,81 0.792,82 17.961,83 6.907,84 23.384,85 10.101,86 0.2,87 0.578,88 14.839,89 4.903,90 22.595,91 7.205,92 0.064,93 0.38,94 9.025,95 3.519,96 14.05,97 5.136,98 0.078,99 0.251,100 7.077,101 2.447,102 10.718,103 3.721,104 23,105 19,106 0.253,107 0.558,108 0.76,109 0.808,110 0.808,111 0.808,112 2.732,113 1.04,114 -0.23,115 -0.37,116 -0.54,121 37.5,126 3,127 1,136 1,137 1,144 4,146 2,176 3,180 2,187 3,189 3,192 1,200 1,203 2,206 1,208 1,214 2,216 1,227 3,232 1,239 2,244 1,251 1,281 188,282 9.11,283 9.11,284 9.11,285 9.11,286 9.11,287 8.295,288 13.737,289 5.413,290 9.423,291 6.788,292 6.788,293 6.788,294 6.788,295 6.788,296 5.521,297 19.311,298 2.343,299 7.222,300 3.69,301 2.116,302 1.071,303 0.821,304 0.821,305 0.821,306 3.338,311 1,312 1,313 164,314 3.162,318 47.935,325 0.898,326 5.863,329 1,330 0.83,331 0.83,332 0.9,333 1,334 1,335 1,336 0.94,337 29.5,338 86,339 4.496,340 3.731,341 7.296,342 4.298,343 3.379,344 3.882,345 1.26,346 12.424,347 3.11,348 3.801,349 2.813,350 5.399,351 3.418,352 2.475,353 3.122,354 0.86,355 7.065,356 2.327,357 3,358 1.915,359 4.724,360 2.608,361 1.651,362 2.14,363 0.245,364 4.646,365 1.572,366 2.681,367 1.488,368 3.526,369 2.182,370 1.192,371 1.69,373 2.574,374 1.179,375 2.508,376 1.144,377 3.32,378 1.987,379 1,380 1.37,382 1.738,383 0.986,384 1.583,385 0.935,386 2.728,387 1.293,388 0.427,389 0.48,391 0.621,392 0.366,393 0.881,394 -0.305,395 2.607,396 0.449,397 -0.515,398 -0.689,400 -0.808,401 -0.494,402 0.683,403 -0.378,404 2,405 0.278,406 -0.679,407 -0.87,409 -1.437,410 -0.64,411 0.574,412 -0.6,413 2,414 0.125,415 -0.84,416 -1,418 -2.312,419 -0.802,421 -0.655,422 1.671,423 -0.1,424 -1,425 -1.095,427 -3,428 -0.9,429 -0.419,430 -1.204,431 1.518,432 -0.625,433 -1.54,434 -1.83,435 -0.4,436 -4.135,437 -1.392,438 -0.5,439 -1.272,440 0.516,441 -0.762,442 -1.669,443 -1.949,444 -0.4,445 -4.73,446 -1.55,447 -0.541,448 -1.611,449 0.412,450 -0.951,451 -1.881,452 -2.25,453 -0.705,454 -5.427,455 -1.761,456 -0.748,457 -2,458 0.283,459 -1,460 -2,461 -3,462 -0.86,463 -7.219,464 -2,474 6.733,475 0.481,476 0.402,477 0.029,478 16,479 1.143,480 7.5,481 0.536,482 8.5,483 0.607,484 9.447,485 0.675,486 16.367,487 0.511,488 10.732,489 0.767,490 3.62,491 0.259,492 2.977,493 0.213,494 0.297,495 0.059,496 0.149,501 0.995,502 1.696,503 1.031,504 1.399,505 1.151,506 1.241,507 1.786,508 0.821,509 1.014,510 0.695,511 0.957,512 0.746,513 1.055,514 1.337,515 1.228,516 1.301,517 0.95,518 1.282,519 0.554,520 0.997,521 0.97,522 1.046,523 0.77,524 1.048,525 0.68,526 1.08,527 0.964,528 1.124,529 0.995,530 1.082,531 1.912,532 0.741,533 1.156,534 0.806,535 1.536,536 0.902,537 0.646,538 1.107,539 1.059,540 1.2,541 0.859,542 1.182,543 0.731,544 0.368,545 0.519,546 0.405,547 0.771,548 0.444,549 4,551 2,552 1.125,553 0.64,554 0.444,555 0.101,556 0.059,559 1052,560 2242,561 1.827,562 56.3,564 18,572 1.513,573 1.663,574 2.659,575 -0.835,579 1,582 41.922,583 1.31,584 2.884,585 3.929,586 4.179,587 4.179,588 4.179,589 2.156,590 3.522,591 3.776,592 2.704,593 246.059,594 6.316,595 1920.19,597 1,600 160,601 1.689,602 3.682,603 0.286,605 0.105,606 0.059,607 0.04,608 0.037,609 0.014,610 0.02,613 0.561,614 0.83,615 1,616 1.733,617 52.497,618 0.077,619 -0.417,620 0.057,621 -0.226,622 -0.12,623 -0.11,624 -0.209,625 0.335,626 0.085,627 0.282,628 0.018,629 0.228,630 -0.106,631 -0.196,632 -0.209,633 -0.21,634 -0.104,635 -0.219,636 0.104,637 -0.02,638 -0.035,639 -0.058,640 0.005,641 -0.06,642 0.042,643 -0.162,644 -0.039,645 -0.155,646 -0.015,647 -0.111,648 -0.264,649 0.111,650 -0.155,651 0.067,652 -0.211,653 -0.021,654 0.008,655 -0.25,656 -0.166,657 -0.258,658 0.075,659 -0.234,660 0.056,661 0.283,662 0.332,663 0.362,664 0.172,665 0.37,666 0.766,667 1.692,668 0.429,669 7.143,670 0.982,671 1.132,672 -1.001,673 1.003,674 0.623,675 2.708,676 2.996,677 3.135,678 3.219,679 3.296,680 3.091,681 2.944,682 2.303,683 1.609,684 0.693,685 3.75,686 0.569,687 192.31,688 2.708,689 4.205,690 5.004,691 5.866,692 6.696,693 7.563,694 8.402,695 9.269,696 10.113,697 10.978,698 3.1,712 1,715 4,720 2,722 6,739 1,741 32,743 7,744 1,745 14,747 32,748 12,749 6,750 2,751 4,756 1,757 1,772 8,773 4,777 1,778 1,784 1,790 1,793 18,794 1,796 2,802 1,803 1,807 1,808 1,809 1,829 1,848 1,849 1,859 1,864 3,868 14,876 1,878 1,883 1,893 3.1,898 1,901 8.417,902 6.583,903 3.292,904 1.785,907 1.28,908 1.248,909 0.871,910 3.446,911 6.433,912 2.944,913 3.418,914 3.855,915 4.306,916 4.73,917 4.622,918 4.722,919 4.114,920 3.841,921 2.409,922 1,923 19,924 5.129,925 0.002,926 1.934,927 0.026,929 7.56,931 9.951,932 0.001,933 7.422,934 0.001,936 2.06,937 28.833,938 0.008,941 211.88,942 100.93,945 11,948 100.93,949 222.88,951 27.676,952 17.873,953 47.381,955 19,957 211.88,959 211.88,960 100.93,961 11,964 211.88,965 11,968 2.106,969 89.348,970 9.476,972 211.88,973 11,974 100.93,977 211.88,978 10.106,979 75.057,981 26.767,982 211.88,983 11,984 100.93,986 0.566,987 0.33,988 0.164,989 0.082,990 8,991 4,992 0.125,993 4,995 1,996 2.476,997 80.669,999 6,1000 51.303,1005 10.961,1006 4.401,1007 2.684,1009 11,1010 8.129,1015 2.127,1018 323.81,1019 18,1020 3.767,1026 1.93,1031 31.44,1032 36.237,1034 0.262,1035 0.577,1036 0.786,1037 0.836,1038 0.836,1039 0.836,1040 4.151,1041 -0.679,1042 5.056,1043 -0.808,1044 3.664,1045 4.094,1046 1.598,1047 5.927,1048 3.544,1049 5.362,1050 -0.84,1051 6.678,1052 -1.437,1053 3.611,1054 3.951,1055 0.931,1056 7.402,1057 3.357,1058 6.683,1059 -1,1060 8.435,1061 -2.312,1062 5.407,1063 6.197,1064 1.592,1065 10.352,1066 5.132,1067 8.047,1068 -1.54,1069 10.272,1070 -3,1071 6.155,1072 6.791,1073 1.381,1074 12.57,1075 5.733,1076 9.445,1077 -1.669,1078 12.159,1079 -4.135,1080 7.543,1081 8.599,1082 1.781,1083 15.201,1084 7.089,1085 10.867,1086 -1.881,1087 14.078,1088 -4.73,1089 8.587,1090 9.53,1091 1.783,1092 17.631,1093 8.006,1094 12.308,1095 -2,1096 16.018,1097 -5.427,1098 9.85,1099 11.137,1100 2.08,1101 20.183,1102 9.215,1103 3.379,1105 17.971,1106 -7.219,1107 11.002,1108 12.243,1109 2.192,1110 22.675,1111 10.258,1112 2.475,1113 12.424,1114 19.935,1116 12.228,1117 13.743,1118 2.446,1119 25.205,1120 11.416,1121 1.651,1122 7.065,1123 21.905,1124 3.882,1125 13.419,1126 14.949,1127 2.615,1128 27.716,1129 12.511,1130 1.192,1131 4.646,1132 23.88,1133 3.122,1134 14.636,1135 16.39,1136 2.852,1137 30.239,1138 13.652,1139 1,1140 2.574,1141 25.858,1142 2.14,1143 15.842,1144 17.654,1145 3.05,1146 32.755,1147 14.768,1148 0.427,1149 1.738,1150 27.839,1151 1.69,1152 17.058,1153 19.06,1154 3.282,1155 35.276,1156 15.903,1157 -0.515,1158 0.621,1159 29.822,1160 1.37,1161 18.27,1162 20.361,1163 3.495,1164 37.795,1165 17.03,1166 1212,1167 1810,1168 8.436,1169 19.932,1170 20.711,1171 20.623,1172 21.414,1173 20.257,1174 20.249,1175 25.367,1176 4.73,1177 58.137,1178 19.078,1179 5.244,1180 5.731,1181 7.012,1182 5.298,1183 5.379,1184 6.882,1185 2.12,1186 19.643,1187 5.11,1188 8.13,1189 1.479,1190 1.473,1191 1.53,1192 1.447,1193 1.446,1194 1.812,1195 0.338,1196 4.153,1197 1.363,1198 3.992,1199 4.039,1200 3.924,1201 3.874,1202 4.879,1203 3.88,1204 3.665,1205 3.72,1206 3.547,1207 3.512,1208 4.709,1209 3.51,1210 3.348,1211 3.426,1212 3.173,1213 3.166,1214 4.41,1215 3.158,1216 3.223,1217 3.296,1218 3.022,1219 2.954,1220 4.138,1221 2.959,1222 2.874,1223 3.009,1224 2.598,1225 2.654,1226 3.54,1227 2.63,1228 2.785,1229 2.86,1230 2.499,1231 2.618,1232 3.467,1233 2.57,1234 2.698,1235 2.784,1236 2.498,1237 2.558,1238 3.403,1239 2.534,1240 2.577,1241 2.696,1242 2.232,1243 2.337,1244 3.156,1245 2.293,1246 0.321,1247 0.266,1248 0.521,1249 0.307,1250 0.241,1251 4.496,1252 0.277,1253 3.731,1254 0.09,1255 7.296,1256 0.887,1257 4.298,1258 0.222,1259 3.379,1260 3.882,1261 1.26,1262 12.424,1263 3.11,1264 1.939,1265 1.902,1266 2.069,1267 2.096,1268 1.272,1269 2.092,1270 1.648,1271 1.589,1272 1.856,1273 1.825,1274 0.942,1275 1.836,1276 1.353,1277 1.273,1278 1.661,1279 1.57,1280 0.64,1281 1.605,1282 1.185,1283 1.107,1284 1.564,1285 1.488,1286 0.57,1287 1.516,1288 0.934,1289 0.804,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.816,1295 0.747,1296 1.148,1297 1.006,1298 0.178,1299 1.057,1300 0.729,1301 0.655,1302 1.095,1303 0.967,1304 0.127,1305 1.019,1306 0.628,1307 0.509,1308 0.987,1309 0.872,1310 0.068,1311 0.918,1312 3.367,1314 4.654,1316 6.159,1318 7.757,1320 9.398,1322 5.986,1328 0.91,1330 5.192,1335 0.792,1340 18.214,1341 41.922,1342 92.295,1343 125.735,1344 133.735,1345 133.735,1346 133.735,1347 18.547,1348 5.153,1349 9.23,1350 9.23,1351 6,1352 11.529,1353 3,1354 2.322,1355 27.745,1356 30,1357 32,1358 0.482,1359 119.03,1360 203.45,1361 282.193,1362 714,1364 10.604,1365 0.757,1366 0.658,1367 10.604,1368 9.209,1369 6.598,1370 0.471,1371 0.347,1372 4.758,1373 6.304,1374 4.5,1375 3.886,1376 6.598,1377 4.854,1378 5.876,1379 0.309,1380 0.216,1381 5.876,1382 4.109,1383 4.36,1384 0.198,1385 0.114,1386 4.36,1387 2.506,1388 3.22,1389 0.134,1390 0.063,1391 3.22,1392 1.523,1393 2.193,1394 0.084,1395 0.032,1396 2.193,1397 0.826,1398 0.706,1399 41.523,1400 0.344,1401 14.018,1402 1.463,1403 66,1404 154.068,1405 71.321,1406 149.721,1407 202.73,1408 140,1409 74,1410 146.799,1411 80.321,1412 153.505,1413 214.74,1414 140,1415 5}
{0 CHEMBL293720,1 1.378,2 13.765,3 6.705,4 44.953,5 136.977,6 6.801,7 0.474,8 4.283,9 4.409,10 3.787,11 3.846,12 5.288,13 3.803,14 4.856,15 5.041,16 4.192,17 4.281,18 5.824,19 4.218,20 5.139,21 5.337,22 4.27,23 4.479,24 6.026,25 4.379,26 5.322,27 5.58,28 4.217,29 4.508,30 6.162,31 4.378,32 5.275,33 5.52,34 4.175,35 4.452,36 6.173,37 4.321,38 5.219,39 5.481,40 4.128,41 4.376,42 6.075,43 4.257,44 5.05,45 5.26,46 4.079,47 4.323,48 6.015,49 4.21,50 5.116,51 5.37,52 3.916,53 4.21,54 6.084,55 4.075,56 0.057,57 0.945,58 15.141,59 6.449,60 11.63,61 8.867,62 0.421,63 1.606,64 28.436,65 10.849,66 38.176,67 15.39,68 0.242,69 2.062,70 37.786,71 14.782,72 34.204,73 20.844,74 0.388,75 2.36,76 47.156,77 16.941,78 52.461,79 24.657,80 0.405,81 2.163,82 45.021,83 17.003,84 58.936,85 23.923,86 0.483,87 2,88 43.32,89 15.799,90 54.447,91 22.219,92 0.341,93 1.808,94 35.199,95 13.55,96 42.61,97 18.856,98 0.494,99 1.778,100 39.346,101 13.957,102 67.283,103 19.394,104 27,105 56,106 0.217,107 0.524,108 0.717,109 0.819,110 0.841,111 0.841,112 3.561,113 0.955,114 -5.96,115 -5.81,116 -5.41,121 43.3,122 3,123 1,124 1,125 1,126 1,127 2,130 1,144 12,145 3,146 3,161 1,176 18,179 2,180 8,183 2,185 2,187 21,192 10,197 2,200 16,206 12,211 3,214 10,218 1,219 12,224 3,227 12,231 1,232 5,237 3,239 18,243 1,244 6,247 1,249 2,251 19,255 1,256 6,259 1,264 12,269 5,274 1,277 10,281 2128,282 22.772,283 22.772,284 22.772,285 22.772,286 22.772,287 20.506,288 33.358,289 13.172,290 23.127,291 18.754,292 18.754,293 18.754,294 18.754,295 18.754,296 15.315,297 45.434,298 6.268,299 19.344,300 4.688,301 2.746,302 1.52,303 0.874,304 0.732,305 0.732,306 4.264,312 1,313 1028,314 4.062,317 139.927,318 292.041,320 113.258,321 121.923,324 168.245,325 2.073,326 21.612,329 0.75,330 0.67,331 1,332 0.8,333 0.5,334 1,335 1,336 0.82,337 71.5,338 468,339 4.839,340 3.983,341 8.013,342 4.72,343 3.744,344 4.211,345 2.186,346 15.366,347 3.661,348 4.126,349 3.675,350 6.289,351 3.792,352 2.804,353 3.691,354 1.013,355 9.221,356 2.777,357 3.979,358 2.993,359 6.211,360 3.658,361 2.696,362 3.453,363 0.763,364 8.694,365 2.599,366 3.924,367 2.949,368 5.931,369 3.601,370 2.64,371 3.316,372 0.366,373 8.248,374 2.53,375 3.745,376 2.821,377 5.543,378 3.445,379 2.479,380 2.999,381 0.191,382 7.468,383 2.387,384 3.553,385 2.571,386 5.346,387 3.282,388 2.319,389 2.79,391 6.882,392 2.218,393 3.427,394 2.481,395 5.28,396 3.183,397 2.24,398 2.538,400 6.727,401 2.098,402 3.237,403 2.409,404 4.814,405 2.843,406 1.862,407 2.385,409 5.059,410 1.806,411 2.916,412 1.777,413 4.596,414 2.529,415 1.554,416 2.073,418 4.458,419 1.513,420 2.608,421 1.507,422 4.213,423 2.345,424 1.372,425 1.625,427 3.132,428 1.329,429 2.518,430 1.314,431 3.91,432 2.223,433 1.228,434 1.522,436 3.023,437 1.219,438 2.5,439 1.171,440 3.769,441 2.126,442 1.132,443 1.5,445 2.909,446 1.125,447 2.5,448 1,449 3.549,450 2,451 1,452 1.5,454 2.275,455 1,456 2.45,457 1,458 3.414,459 2,460 1,461 1.439,463 2.136,464 1,465 1.822,466 0.936,467 3.247,468 1.721,469 0.753,470 0.795,472 1.98,473 0.726,474 16.367,475 0.481,476 0.997,477 0.029,478 42.75,479 1.257,480 21,481 0.618,482 21.75,483 0.64,484 33.584,485 0.988,486 36.433,487 0.544,488 33.587,489 0.988,490 8.016,491 0.236,492 8.331,493 0.245,494 0.143,495 0.031,496 0.324,501 0.806,502 1.317,503 0.863,504 1.109,505 0.664,506 1.007,507 0.702,508 0.962,509 0.853,510 0.879,511 0.426,512 0.87,513 1.004,514 1.314,515 1.079,516 1.196,517 0.742,518 1.153,519 1.017,520 1.008,521 1.017,522 0.989,523 0.684,524 0.987,525 1.134,526 1.076,527 1.009,528 1.074,529 1.218,530 1.039,531 1.335,532 0.805,533 0.874,534 0.781,535 1.15,536 0.787,537 1.155,538 1.147,539 1.139,540 1.182,541 1.152,542 1.163,543 1.612,544 0.929,545 1.097,546 0.98,547 2.036,548 0.992,549 8,550 0.179,551 4.444,552 3.708,553 2.024,554 1.559,555 0.917,556 0.572,557 0.431,558 0.312,559 17543,560 35948,561 2.102,562 49.3,563 10,564 19,565 1,567 1,569 2,572 1.759,573 1.952,574 3.676,575 -0.45,582 92.327,583 1.378,584 3.32,585 4.546,586 5.193,587 5.334,588 5.334,589 3.235,590 4.676,591 5.052,592 3.889,593 2181.98,594 8.858,595 33217.5,600 406.428,601 1.583,602 5.007,603 0.211,604 0.006,605 0.079,606 0.064,607 0.038,608 0.031,609 0.018,610 0.012,611 0.012,612 0.01,613 0.482,614 0.33,615 0.75,616 0.706,617 182.652,618 0.015,619 -0.144,620 0.072,621 -0.04,622 -0.05,623 0.011,624 0.302,625 0.171,626 0.122,627 0.126,628 0.236,629 0.11,630 -0.058,631 -0.244,632 -0.113,633 -0.185,634 -0.029,635 -0.162,636 -0.058,637 0.017,638 -0.027,639 -0.03,640 0.068,641 -0.02,642 0.019,643 -0.105,644 -0.012,645 -0.088,646 -0.001,647 -0.059,648 -0.024,649 0.143,650 0.145,651 0.19,652 -0.031,653 0.184,654 0.001,655 -0.111,656 -0.152,657 -0.184,658 -0.07,659 -0.184,660 -0.056,661 0.021,662 -0.059,663 -0.024,664 -0.127,665 -0.04,666 2.137,667 5.614,668 0.706,669 41.457,670 0.988,671 1.122,672 4.726,673 22.338,674 0.662,675 3.664,676 4.043,677 4.357,678 4.691,679 4.949,680 5.094,681 5.308,682 5.442,683 5.521,684 5.631,685 7.831,686 0.618,687 455.65,688 3.664,689 5.242,690 6.12,691 7.038,692 7.943,693 8.874,694 9.796,695 10.737,696 11.67,697 12.618,698 4.5,701 1,704 1,705 1,715 12,720 6,722 18,736 1,737 1,741 67,743 19,744 3,745 38,747 71,748 29,749 18,750 6,751 12,756 5,757 8,763 3,764 1,766 1,767 1,770 1,772 19,773 10,774 1,777 1,782 1,786 1,793 33,794 5,795 1,796 5,802 3,808 0.6,809 2,825 1,828 2,829 3,831 1,832 1,835 1,855 1,859 3,864 4,868 34,876 3,877 1,878 1,880 2,881 2,882 1,893 3,896 1,898 1,901 17.417,902 13.15,903 7.264,904 4.153,907 2.948,908 1.349,909 0.976,910 6.134,911 11.399,912 3.892,913 4.472,914 4.999,915 5.551,916 6.068,917 6.247,918 6.63,919 6.953,920 7.198,921 7.518,922 1,923 58,924 12.618,926 5.413,927 0.026,929 7.532,931 24.771,933 21.13,936 2.032,937 69.083,941 376.675,942 182.409,943 24.259,945 36.145,948 182.409,949 412.82,950 24.259,951 34.872,952 24.757,953 113.715,954 25.145,955 37.562,956 18.534,957 364.904,959 376.675,960 206.668,961 36.145,964 353.133,965 59.687,968 54.357,969 152.312,972 376.675,973 60.404,974 182.409,977 376.675,978 33.822,979 154.836,980 18.011,981 36.145,982 376.675,983 60.404,984 182.409,986 0.594,987 0.348,988 0.191,989 0.106,990 29,991 13,992 0.085,993 6,994 2,995 1.167,996 4.437,997 332.431,998 0.167,999 24,1000 162.974,1005 22.949,1006 9.087,1007 4.361,1009 60.404,1010 24.586,1015 6.313,1017 18.011,1018 619.489,1019 48,1024 12.614,1028 -0.471,1031 66.214,1032 75.142,1034 0.227,1035 0.547,1036 0.749,1037 0.856,1038 0.879,1039 0.879,1040 5.173,1041 1.862,1042 6.151,1043 6.727,1044 4.727,1045 5.159,1046 2.511,1047 7.059,1048 4.667,1049 6.385,1050 1.554,1051 7.773,1052 5.059,1053 4.511,1054 4.956,1055 1.905,1056 8.352,1057 4.424,1058 7.708,1059 1.372,1060 9.513,1061 4.458,1062 6.438,1063 7.27,1064 3.546,1065 11.514,1066 6.321,1067 9.065,1068 1.228,1069 11.33,1070 3.132,1071 7.066,1072 7.826,1073 3.617,1074 13.759,1075 6.931,1076 10.459,1077 1.132,1078 13.205,1079 3.023,1080 8.529,1081 9.669,1082 4.916,1083 16.577,1084 8.37,1085 11.881,1086 1,1087 15.124,1088 2.909,1089 9.544,1090 10.594,1091 5.294,1092 19.165,1093 9.369,1094 13.325,1095 1,1096 17.078,1097 2.275,1098 10.869,1099 12.229,1100 6.389,1101 21.913,1102 10.675,1103 3.744,1104 0.753,1105 19.059,1106 2.136,1107 12.058,1108 13.359,1109 6.931,1110 24.604,1111 11.846,1112 2.804,1113 15.366,1114 21.063,1115 1.98,1116 13.356,1117 14.888,1118 7.902,1119 27.339,1120 13.124,1121 2.696,1122 9.221,1123 23.085,1124 4.211,1125 14.619,1126 16.14,1127 8.539,1128 30.059,1129 14.367,1130 2.64,1131 8.694,1132 25.12,1133 3.691,1134 15.92,1135 17.615,1136 9.436,1137 32.792,1138 15.647,1139 2.479,1140 8.248,1141 27.166,1142 3.453,1143 17.214,1144 18.939,1145 10.13,1146 35.52,1147 16.92,1148 2.319,1149 7.468,1150 29.221,1151 3.316,1152 18.521,1153 20.387,1154 10.981,1155 38.252,1156 18.206,1157 2.24,1158 6.882,1159 31.281,1160 2.999,1161 19.829,1162 21.754,1163 11.71,1164 40.983,1165 19.492,1166 16474,1167 23754,1168 25.255,1169 44.347,1170 58.52,1171 59.134,1172 60.278,1173 57.856,1174 57.872,1175 71.939,1176 9.039,1177 175.784,1178 56.186,1179 5.81,1180 5.983,1181 7.815,1182 5.812,1183 5.744,1184 7.211,1185 3.889,1186 23.914,1187 5.661,1188 17.64,1189 1.54,1190 1.556,1191 1.586,1192 1.523,1193 1.523,1194 1.893,1195 0.238,1196 4.626,1197 1.479,1198 4.108,1199 4.145,1200 4.055,1201 4.013,1202 7.435,1203 4.018,1204 3.948,1205 3.981,1206 3.882,1207 3.881,1208 4.854,1209 3.876,1210 3.881,1211 3.913,1212 3.808,1213 3.826,1214 4.743,1215 3.818,1216 3.703,1217 3.745,1218 3.62,1219 3.563,1220 4.732,1221 3.567,1222 3.541,1223 3.606,1224 3.42,1225 3.388,1226 4.429,1227 3.379,1228 3.345,1229 3.386,1230 3.238,1231 3.116,1232 4.182,1233 3.135,1234 3.254,1235 3.345,1236 3.109,1237 3.049,1238 4.097,1239 3.052,1240 3.209,1241 3.271,1242 3.031,1243 2.973,1244 3.885,1245 2.998,1246 0.127,1247 0.105,1248 0.211,1249 0.124,1250 0.099,1251 4.839,1252 0.111,1253 3.983,1254 0.058,1255 8.013,1256 0.404,1257 4.72,1258 0.096,1259 3.744,1260 4.211,1261 2.186,1262 15.366,1263 3.661,1264 1.94,1265 1.913,1266 2.069,1267 2.039,1268 1.311,1269 2.047,1270 1.926,1271 1.898,1272 2.045,1273 2.017,1274 1.252,1275 2.028,1276 1.884,1277 1.861,1278 1.997,1279 1.963,1280 1.192,1281 1.975,1282 1.615,1283 1.565,1284 1.811,1285 1.803,1286 1.02,1287 1.804,1288 1.543,1289 1.477,1290 1.794,1291 1.76,1292 0.995,1293 1.778,1294 1.528,1295 1.447,1296 1.781,1297 1.723,1298 0.909,1299 1.749,1300 1.23,1301 1.18,1302 1.485,1303 1.502,1304 0.654,1305 1.476,1306 1.116,1307 1.075,1308 1.453,1309 1.386,1310 0.563,1311 1.383,1312 4.344,1314 5.707,1315 3.045,1316 7.263,1317 5.638,1318 8.913,1319 7.928,1320 10.622,1322 8.845,1328 2.972,1329 2.849,1330 5.713,1332 0.736,1333 4.939,1334 -0.013,1340 41.396,1341 92.327,1342 222.441,1343 304.614,1344 347.899,1345 357.408,1346 357.408,1347 53.843,1348 8.451,1349 44.81,1350 44.81,1351 28,1352 13.112,1353 4.322,1354 3.459,1355 50.166,1356 158,1357 178,1358 0.154,1359 251.083,1360 439.94,1361 604.402,1362 59622,1364 23.872,1365 0.702,1366 0.6,1367 23.872,1368 20.415,1369 16.347,1370 0.43,1371 0.318,1372 11.972,1373 15.903,1374 11.509,1375 9.617,1376 16.347,1377 12.091,1378 15.502,1379 0.277,1380 0.18,1381 15.502,1382 10.105,1383 13.019,1384 0.169,1385 0.096,1386 13.019,1387 7.389,1388 11.365,1389 0.105,1390 0.052,1391 11.365,1392 5.574,1393 9.277,1394 0.066,1395 0.028,1396 9.277,1397 3.917,1398 0.245,1399 101.082,1400 0.199,1401 31.561,1402 0.416,1403 188,1404 441.094,1405 201.692,1406 433.964,1407 610.12,1408 408,1409 227,1410 466.444,1411 241.142,1412 477.587,1413 704.06,1414 448,1415 4.886}
{0 CHEMBL293751,1 1.289,2 7.667,3 2.109,4 4.448,5 73.64,6 6.378,7 0.632,8 3.692,9 3.823,10 3.136,11 3.22,12 4.701,13 3.167,14 4.224,15 4.429,16 3.435,17 3.591,18 5.112,19 3.521,20 4.447,21 4.644,22 3.468,23 3.796,24 5.307,25 3.666,26 4.657,27 4.935,28 3.378,29 3.819,30 5.389,31 3.637,32 4.602,33 4.874,34 3.334,35 3.769,36 5.371,37 3.594,38 4.537,39 4.807,40 3.106,41 3.648,42 5.321,43 3.46,44 4.32,45 4.618,46 2.791,47 3.415,48 5.045,49 3.182,50 4.096,51 4.447,52 2.449,53 2.993,54 4.733,55 2.759,56 0.043,57 0.507,58 8.994,59 3.65,60 8.503,61 5.137,62 0.158,63 0.816,64 15.799,65 5.558,66 14.319,67 8.03,68 0.12,69 1.007,70 19.294,71 7.861,72 16.609,73 11.133,74 0.207,75 1.156,76 23.81,77 9.381,78 22.26,79 13.652,80 0.148,81 1.085,82 22.515,83 8.975,84 22.477,85 12.895,86 0.222,87 0.971,88 21.472,89 8.124,90 26.43,91 11.448,92 0.089,93 0.78,94 16.718,95 7.06,96 18.888,97 10.092,98 0.113,99 0.564,100 13.542,101 5.187,102 16.736,103 7.467,104 11,105 26,106 0.235,107 0.49,108 0.655,109 0.772,110 0.801,111 0.801,112 2.96,113 0.995,114 -1.1,115 -1.2,116 -1.28,121 42.1,126 3,127 1,144 9,145 1,146 2,176 8,180 2,187 9,189 3,192 1,200 4,203 3,206 1,208 1,214 2,216 3,227 5,229 1,232 1,239 7,244 2,251 6,256 2,264 3,269 1,277 1,281 380,282 11.963,283 11.963,284 11.963,285 11.963,286 11.963,287 10.527,288 14.95,289 7.167,290 12.268,291 9.333,292 9.333,293 9.333,294 9.333,295 9.333,296 7.232,297 22.699,298 3.341,299 9.752,300 3.959,301 2.556,302 1.652,303 1.007,304 0.849,305 0.849,306 3.612,310 1,311 1,312 1,313 285,314 3.082,318 123.7,325 1.259,326 6.097,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 37.5,338 138,339 4.514,340 3.75,341 7.311,342 4.318,343 3.396,344 3.895,345 1.26,346 12.528,347 3.134,348 3.907,349 2.827,350 5.478,351 3.5,352 2.528,353 3.452,354 0.86,355 7.259,356 2.472,357 3.73,358 2.592,359 5.276,360 3.339,361 2.374,362 3.071,363 0.245,364 6.699,365 2.269,366 2.991,367 1.824,368 4.629,369 2.586,370 1.625,371 2.163,373 4.52,374 1.558,375 2.831,376 1.512,377 3.615,378 2.397,379 1.407,380 1.962,382 3.028,383 1.39,384 2.569,385 1.173,386 3.491,387 2.105,388 1.115,389 1.598,391 2.546,392 1.103,393 2.5,394 1,395 3.247,396 2,397 1,398 1.5,400 2.136,401 1,402 1.583,403 0.935,404 3.084,405 1.293,406 0.428,407 0.48,409 0.621,410 0.366,411 1.108,412 0.176,413 2.704,414 0.853,415 -0.121,416 -0.141,418 -0.324,419 -0.117,420 0.704,421 -0.377,422 2.581,423 0.287,424 -0.673,425 -0.869,427 -1.433,428 -0.636,429 0.577,430 -0.6,431 2,432 0.126,433 -0.839,434 -1,436 -2.305,437 -0.801,438 0.5,439 -0.655,440 1.759,442 -1,443 -1.094,445 -2.347,446 -0.9,447 0.329,448 -0.845,449 1.67,450 -0.033,451 -1,452 -1.269,454 -2.546,455 -0.964,457 -1,458 1.555,459 -0.1,460 -1,461 -1.5,463 -3,464 -1,465 -0.43,466 -1.237,467 1.518,468 -0.66,469 -1.56,470 -1.886,472 -4.138,473 -1.399,474 8.733,475 0.485,476 0.471,477 0.026,478 23.5,479 1.306,480 12.5,481 0.694,482 11,483 0.611,484 12.195,485 0.677,486 19.767,487 0.52,488 15.608,489 0.867,490 5.028,491 0.279,492 3.587,493 0.199,494 0.172,495 0.046,496 0.172,501 0.968,502 1.452,503 0.948,504 1.214,505 0.999,506 1.097,507 1.737,508 0.826,509 1.004,510 0.735,511 0.991,512 0.781,513 1.007,514 1.348,515 1.221,516 1.3,517 1.031,518 1.281,519 0.609,520 1.018,521 0.953,522 1.008,523 0.823,524 1.007,525 0.791,526 1.039,527 0.977,528 1.049,529 0.833,530 1.03,531 1.683,532 0.871,533 1.194,534 0.942,535 1.533,536 1.02,537 0.439,538 1.032,539 0.947,540 1.108,541 0.806,542 1.079,543 0.887,544 0.573,545 0.604,546 0.607,547 0.765,548 0.591,549 4.5,550 0.012,551 2,552 1.313,553 1.111,554 0.576,555 0.163,556 0.111,557 0.053,558 0.026,559 2571,560 5453,561 1.981,562 52.6,564 20,572 1.589,573 1.846,574 2.96,575 -0.873,577 1,579 1,582 48.983,583 1.289,584 2.692,585 3.595,586 4.241,587 4.399,588 4.399,589 2.461,590 3.572,591 4.142,592 3.052,593 466.962,594 7.039,595 4378.31,596 1,597 1,599 1,600 199.421,601 1.528,602 4.083,603 0.237,604 0.012,605 0.077,606 0.052,607 0.051,608 0.027,609 0.01,610 0.01,611 0.007,612 0.006,613 0.49,614 0.83,615 1,616 0.894,617 75.895,618 0.076,619 -0.272,620 0.069,621 -0.131,622 -0.042,623 -0.049,624 -0.207,625 0.313,626 0.048,627 0.241,628 0.043,629 0.182,630 -0.089,631 -0.277,632 -0.24,633 -0.268,634 -0.157,635 -0.269,636 0.116,637 -0.043,639 -0.043,640 -0.013,641 -0.034,642 0.013,643 -0.073,644 -0.019,645 -0.075,646 0.051,647 -0.052,648 -0.252,649 0.071,650 -0.193,651 0.008,652 -0.274,653 -0.074,654 0.076,655 -0.135,656 -0.026,657 -0.131,658 0.045,659 -0.093,660 0.105,661 0.24,662 0.351,663 0.299,664 0.304,665 0.339,666 0.758,667 1.79,668 0.667,669 11.111,670 0.982,671 1.122,672 -0.129,673 0.017,674 0.65,675 2.996,676 3.296,677 3.466,678 3.638,679 3.807,680 3.638,681 3.638,682 3.497,683 3.332,684 3.219,685 4.627,686 0.598,687 242.37,688 2.996,689 4.511,690 5.323,691 6.188,692 7.024,693 7.894,694 8.739,695 9.611,696 10.461,697 11.334,698 2.6,712 1,715 9,720 3,722 12,739 1,741 38,743 12,744 2,745 19,747 39,748 16,749 12,750 3,751 9,756 2,757 2,772 12,773 4,790 1,793 20,794 1,796 2,802 1,803 1,807 1,808 1,809 1,829 2,859 2,864 3,868 18,876 1,878 1,883 1,893 2.6,898 1,901 9.75,902 7.667,903 4.042,904 2.188,907 2.063,908 1.348,909 0.922,910 3.801,911 7.995,912 3.258,913 3.807,914 4.29,915 4.777,916 5.259,917 5.107,918 5.335,919 5.395,920 5.614,921 5.859,922 1,923 25,924 6.618,926 2.615,927 0.026,929 7.472,931 12.977,933 10.165,936 1.972,937 35.5,938 0.003,941 235.422,942 126.253,945 11,948 126.253,949 246.422,951 27.676,952 2.106,953 85.286,955 22.186,957 235.422,959 235.422,960 126.253,961 11,964 235.422,965 11,968 2.106,969 124.148,972 235.422,973 11,974 126.253,977 235.422,978 13.291,979 112.962,981 11,982 235.422,983 11,984 126.253,986 0.574,987 0.326,988 0.166,989 0.093,990 12,991 5,992 0.103,993 4,995 1,996 2.994,997 122.542,999 12,1000 69.059,1005 12.811,1006 5.34,1007 3.198,1009 11,1010 18.816,1015 3.496,1018 372.675,1019 25,1031 37.323,1032 42.652,1034 0.246,1035 0.513,1036 0.685,1037 0.808,1038 0.838,1039 0.838,1040 4.466,1041 0.428,1042 5.342,1043 2.136,1044 3.97,1045 4.489,1046 1.598,1047 6.176,1048 3.884,1049 5.675,1050 -0.121,1051 6.927,1052 0.621,1053 3.761,1054 4.182,1055 0.931,1056 7.496,1057 3.547,1058 6.984,1059 -0.673,1060 8.641,1061 -0.324,1062 5.652,1063 6.609,1064 1.592,1065 10.488,1066 5.442,1067 8.331,1068 -0.839,1069 10.439,1070 -1.433,1071 6.275,1072 7.031,1073 1.381,1074 12.637,1075 5.907,1076 9.711,1077 -1,1078 12.293,1079 -2.305,1080 7.71,1081 8.982,1082 1.781,1083 15.286,1084 7.335,1085 11.114,1086 -1,1087 14.185,1088 -2.347,1089 8.684,1090 9.766,1091 1.783,1092 17.698,1093 8.162,1094 12.536,1095 -1,1096 16.104,1097 -2.546,1098 9.965,1099 11.475,1100 2.08,1101 20.261,1102 9.406,1103 3.396,1104 -1.56,1105 18.043,1106 -3,1107 11.086,1108 12.468,1109 2.192,1110 22.753,1111 10.401,1112 2.528,1113 12.528,1114 19.995,1115 -4.138,1116 12.319,1117 14.036,1118 2.446,1119 25.292,1120 11.573,1121 2.374,1122 7.259,1123 21.958,1124 3.895,1125 13.498,1126 15.159,1127 2.615,1128 27.808,1129 12.645,1130 1.625,1131 6.699,1132 23.927,1133 3.452,1134 14.719,1135 16.642,1136 2.852,1137 30.34,1138 13.793,1139 1.407,1140 4.52,1141 25.902,1142 3.071,1143 15.923,1144 17.848,1145 3.05,1146 32.864,1147 14.901,1148 1.115,1149 3.028,1150 27.881,1151 2.163,1152 17.142,1153 19.278,1154 3.282,1155 35.393,1156 16.041,1157 1,1158 2.546,1159 29.863,1160 1.962,1161 18.356,1162 20.538,1163 3.495,1164 37.92,1165 17.166,1166 2636,1167 3890,1168 12.307,1169 24.694,1170 28.199,1171 27.856,1172 28.472,1173 27.753,1174 27.746,1175 36.242,1176 4.73,1177 78.676,1178 26.584,1179 5.339,1180 5.75,1181 7.113,1182 5.318,1183 5.396,1184 6.895,1185 2.12,1186 19.925,1187 5.134,1188 8.303,1189 1.484,1190 1.466,1191 1.499,1192 1.461,1193 1.46,1194 1.907,1195 0.249,1196 4.141,1197 1.399,1198 4.021,1199 4.066,1200 3.953,1201 3.915,1202 4.879,1203 3.918,1204 3.858,1205 3.887,1206 3.788,1207 3.796,1208 4.747,1209 3.791,1210 3.57,1211 3.64,1212 3.443,1213 3.364,1214 4.424,1215 3.373,1216 3.229,1217 3.299,1218 3.035,1219 2.957,1220 4.167,1221 2.964,1222 2.983,1223 3.063,1224 2.801,1225 2.848,1226 3.674,1227 2.827,1228 2.874,1229 3.009,1230 2.687,1231 2.735,1232 3.652,1233 2.715,1234 2.854,1235 2.925,1236 2.597,1237 2.654,1238 3.539,1239 2.63,1240 2.784,1241 2.858,1242 2.499,1243 2.618,1244 3.467,1245 2.57,1246 0.238,1247 0.197,1248 0.385,1249 0.227,1250 0.179,1251 4.514,1252 0.205,1253 3.75,1254 0.066,1255 7.311,1256 0.659,1257 4.318,1258 0.165,1259 3.396,1260 3.895,1261 1.26,1262 12.528,1263 3.134,1264 1.971,1265 1.934,1266 2.098,1267 2.113,1268 1.31,1269 2.111,1270 1.863,1271 1.836,1272 1.986,1273 1.95,1274 1.069,1275 1.964,1276 1.534,1277 1.459,1278 1.781,1279 1.76,1280 0.881,1281 1.77,1282 1.186,1283 1.111,1284 1.565,1285 1.492,1286 0.571,1287 1.518,1288 1.017,1289 0.943,1290 1.417,1291 1.239,1292 0.512,1293 1.308,1294 0.934,1295 0.821,1296 1.35,1297 1.218,1298 0.469,1299 1.268,1300 0.886,1301 0.804,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.815,1307 0.747,1308 1.104,1309 0.996,1310 0.172,1311 1.037,1312 3.664,1314 4.963,1316 6.469,1318 8.061,1320 9.694,1322 6.125,1328 0.966,1330 5.29,1335 0.807,1340 22.741,1341 48.983,1342 102.309,1343 136.627,1344 161.157,1345 167.157,1346 167.157,1347 21.678,1348 5.932,1349 9.23,1350 9.23,1351 12,1352 11.88,1353 3.7,1354 2.807,1355 30.911,1356 48,1357 48,1358 0.317,1359 144.151,1360 244.11,1361 343.488,1362 2272,1364 13.01,1365 0.723,1366 0.628,1367 13.01,1368 11.312,1369 8.615,1370 0.453,1371 0.332,1372 6.206,1373 8.325,1374 5.92,1375 5.044,1376 8.615,1377 6.302,1378 7.835,1379 0.301,1380 0.203,1381 7.835,1382 5.278,1383 6.005,1384 0.194,1385 0.108,1386 6.005,1387 3.34,1388 4.674,1389 0.126,1390 0.061,1391 4.674,1392 2.252,1393 3.687,1394 0.084,1395 0.034,1396 3.687,1397 1.486,1398 0.481,1399 53.628,1400 0.285,1401 17.993,1402 0.916,1403 90,1404 202.068,1405 95.321,1406 199.618,1407 275.73,1408 188,1409 102,1410 202.799,1411 108.488,1412 212.357,1413 299.74,1414 196,1415 5}
{0 CHEMBL294152,1 1.285,2 5.667,3 1.589,4 2.524,5 62.472,6 5.895,7 0.4,8 3.587,9 3.731,10 2.945,11 3.046,12 4.584,13 2.982,14 4.13,15 4.365,16 3.244,17 3.399,18 4.961,19 3.325,20 4.317,21 4.508,22 3.341,23 3.643,24 5.203,25 3.512,26 4.637,27 4.932,28 3.363,29 3.724,30 5.391,31 3.565,32 4.567,33 4.805,34 3.077,35 3.708,36 5.422,37 3.506,38 4.596,39 4.947,40 2.632,41 3.495,42 5.225,43 3.184,44 4.154,45 4.526,46 1.996,47 2.919,48 4.746,49 2.6,50 3.289,51 3.62,52 0.95,53 2.23,54 3.932,55 1.862,56 0.046,57 0.462,58 8.707,59 3.253,60 8.781,61 4.802,62 0.158,63 0.704,64 14.684,65 4.737,66 12.587,67 7.26,68 0.156,69 0.884,70 17.691,71 6.825,72 15.983,73 9.957,74 0.201,75 1.034,76 23.066,77 8.158,78 24.054,79 12.215,80 0.222,81 0.981,82 21.975,83 8.261,84 30.27,85 11.864,86 0.129,87 0.873,88 20.543,89 8.148,90 27.027,91 12,92 0.143,93 0.501,94 13.094,95 4.699,96 19.493,97 6.961,98 0.029,99 0.234,100 5.382,101 2.208,102 8.174,103 3.263,104 32,105 21,106 0.243,107 0.544,108 0.749,109 0.792,110 0.803,111 0.803,112 2.795,113 1.05,114 -0.5,115 -0.63,116 -0.77,121 37.1,122 1,126 3,127 1,136 1,138 1,144 4,146 2,176 5,180 1,187 3,189 2,192 2,194 1,200 1,203 4,206 1,214 1,216 1,219 1,227 4,232 2,239 5,251 2,281 228,282 9.447,283 9.447,284 9.447,285 9.447,286 9.447,287 8.527,288 12.207,289 5.563,290 9.741,291 7.331,292 7.331,293 7.331,294 7.331,295 7.331,296 5.938,297 16.143,298 2.508,299 7.741,300 3.844,301 2.252,302 1.172,303 0.943,304 0.886,305 0.886,306 3.401,311 1,312 1,313 162,314 3.464,318 52.546,325 0.889,326 6.679,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 31.5,338 85,339 4.578,340 3.788,341 7.407,342 4.359,343 3.437,344 4.01,345 1.285,346 12.921,347 3.173,348 3.766,349 2.836,350 5.735,351 3.422,352 2.474,353 3.012,354 0.86,355 7.651,356 2.345,357 3.364,358 2.466,359 4.668,360 2.978,361 1.995,362 2.503,363 0.704,364 4.839,365 1.954,366 2.917,367 1.706,368 4.104,369 2.463,370 1.498,371 2.086,373 3.405,374 1.437,375 2.585,376 1.232,377 3.617,378 2.139,379 1.155,380 1.612,382 2.825,383 1.135,384 1.64,385 0.939,386 2.96,387 1.35,388 0.477,389 0.54,391 0.728,392 0.413,393 0.889,394 0.12,395 2.665,396 0.581,397 -0.372,398 -0.4,400 -0.964,401 -0.352,402 0.711,403 -0.196,404 2.439,405 0.342,406 -0.591,407 -0.703,409 -1.284,410 -0.542,411 0.563,412 -0.6,413 2,414 0.095,415 -0.886,416 -1,418 -2,419 -0.864,420 0.324,421 -0.707,422 2,424 -1,425 -1.229,427 -2.113,428 -0.9,430 -0.776,431 1.314,432 -0.1,433 -1,434 -1.363,435 -0.266,436 -3,437 -1,438 -0.437,439 -1.235,440 1.287,441 -0.678,442 -1.614,443 -1.862,444 -0.4,445 -4.226,446 -1.472,447 -0.5,448 -1.308,449 1,450 -0.787,451 -1.68,452 -2.037,453 -0.4,454 -5.281,455 -1.551,456 -0.586,457 -1.585,458 0.494,459 -0.963,460 -1.893,461 -2.169,462 -0.86,463 -5.74,464 -1.774,465 -0.813,466 -2,467 0.31,468 -1,469 -2,470 -3,471 -0.923,472 -7.762,473 -2,474 7.233,475 0.482,476 0.53,477 0.035,478 16.5,479 1.1,480 7.5,481 0.5,482 9,483 0.6,484 11.66,485 0.777,486 17.667,487 0.505,488 11.358,489 0.757,490 3.608,491 0.241,492 3.363,493 0.224,494 0.346,495 0.055,496 0.207,501 0.996,502 1.681,503 1.06,504 1.406,505 1.204,506 1.259,507 1.738,508 0.781,509 0.957,510 0.664,511 0.874,512 0.709,513 0.855,514 1.555,515 1.277,516 1.49,517 1.14,518 1.433,519 1.055,520 0.838,521 0.859,522 0.826,523 0.664,524 0.817,525 1.713,526 1.211,527 1.508,528 1.312,529 1.795,530 1.388,531 0.317,532 0.893,533 0.794,534 0.959,535 0.568,536 0.929,537 1.089,538 0.529,539 0.74,540 0.577,541 1.056,542 0.631,543 0.198,544 1.266,545 1.169,546 1.374,547 1.378,548 1.367,549 4.5,551 2.222,552 1.75,553 0.72,554 0.5,555 0.164,556 0.056,559 1221,560 2455,561 1.803,562 57.1,563 3,564 17,572 1.539,573 1.622,574 2.561,575 -0.846,577 1,579 1,582 44.981,583 1.285,584 2.877,585 3.957,586 4.186,587 4.243,588 4.243,589 1.933,590 3.457,591 3.878,592 2.652,593 278.505,594 6.538,595 2314.46,597 1,600 179.525,601 1.782,602 3.765,603 0.3,605 0.106,606 0.083,607 0.033,608 0.036,609 0.021,610 0.014,613 0.592,614 0.83,615 1,616 1.697,617 57.509,618 0.083,619 -0.386,620 0.054,621 -0.208,622 -0.149,623 -0.102,624 -0.173,625 0.37,626 0.148,627 0.327,628 0.086,629 0.281,630 0.104,631 -0.373,632 -0.228,633 -0.358,634 -0.184,635 -0.333,636 -0.007,637 0.137,638 0.124,639 0.118,640 0.208,641 0.136,642 -0.314,643 -0.185,644 -0.479,645 -0.286,646 -0.481,647 -0.384,648 0.105,649 -0.072,650 0.063,651 -0.051,652 0.182,653 -0.004,654 -0.053,655 0.202,656 0.148,657 0.244,658 0.036,659 0.215,660 0.011,661 -0.413,662 -0.33,663 -0.436,664 -0.402,665 -0.419,666 0.737,667 1.868,668 0.4,669 7.547,670 0.981,671 1.133,672 -0.73,673 0.532,674 0.62,675 2.773,676 3.091,677 3.219,678 3.434,679 3.367,680 3.091,681 2.89,682 2.398,683 2.197,684 1.386,685 3.747,686 0.564,687 206.34,688 2.773,689 4.29,690 5.094,691 5.984,692 6.815,693 7.71,694 8.551,695 9.447,696 10.292,697 11.187,698 2.9,712 1,715 4,720 2,722 6,739 1,741 35,743 7,744 1,745 15,747 35,748 13,749 6,750 2,751 4,756 1,757 1,763 1,772 8,773 5,777 1,778 1,786 1,790 1,793 20,794 1,796 2,802 1,803 1,807 1,808 1,809 1,829 1,848 1,850 1,859 1,864 4,868 15,876 1,878 1,883 1,893 2.9,898 1,901 9.25,902 7.5,903 3.403,904 1.958,907 1.298,908 1.246,909 0.873,910 3.668,911 6.571,912 2.996,913 3.512,914 3.907,915 4.393,916 4.73,917 4.586,918 4.646,919 4.343,920 4.343,921 3.446,922 0.75,923 21,924 5.508,925 -0.001,926 2.089,927 0.026,929 7.533,931 10.726,933 8.069,934 -0.001,936 2.033,937 30.5,938 0.006,941 235.422,942 103.464,945 11,948 103.464,949 246.422,951 36.501,952 17.873,953 37.905,955 22.186,957 235.422,959 235.422,960 103.464,961 11,964 235.422,965 11,968 10.931,969 92.533,972 235.422,973 11,974 103.464,977 235.422,978 13.291,979 74.406,981 26.767,982 235.422,983 11,984 103.464,986 0.578,987 0.319,988 0.183,989 0.083,990 9,991 5,992 0.114,993 4,995 1,996 2.513,997 91.18,999 6,1000 56.603,1005 11.955,1006 4.602,1007 2.914,1009 11,1010 8.12,1015 2.117,1018 349.886,1019 19,1020 3.965,1028 1.172,1031 34.323,1032 39.652,1034 0.251,1035 0.561,1036 0.772,1037 0.816,1038 0.827,1039 0.827,1040 4.227,1041 -0.591,1042 5.165,1043 -0.964,1044 3.761,1045 4.19,1046 1.77,1047 6.061,1048 3.653,1049 5.461,1050 -0.886,1051 6.797,1052 -1.284,1053 3.761,1054 4.159,1055 0.931,1056 7.526,1057 3.547,1058 6.797,1059 -1,1060 8.561,1061 -2,1062 5.509,1063 6.303,1064 1.766,1065 10.545,1066 5.256,1067 8.172,1068 -1,1069 10.405,1070 -2.113,1071 6.275,1072 6.982,1073 1.381,1074 12.764,1075 5.892,1076 9.578,1077 -1.614,1078 12.299,1079 -3,1080 7.653,1081 8.734,1082 1.953,1083 15.455,1084 7.226,1085 11.008,1086 -1.68,1087 14.225,1088 -4.226,1089 8.715,1090 9.746,1091 1.838,1092 17.905,1093 8.168,1094 12.457,1095 -1.893,1096 16.174,1097 -5.281,1098 9.984,1099 11.328,1100 2.262,1101 20.505,1102 9.378,1103 3.437,1104 -2,1105 18.137,1106 -5.74,1107 11.154,1108 12.512,1109 2.311,1110 23.028,1111 10.445,1112 2.474,1113 12.921,1114 20.111,1115 -7.762,1116 12.394,1117 14.007,1118 2.65,1119 25.6,1120 11.614,1121 1.995,1122 7.651,1123 22.092,1124 4.01,1125 13.604,1126 15.283,1127 2.793,1128 28.147,1129 12.732,1130 1.498,1131 4.839,1132 24.079,1133 3.012,1134 14.837,1135 16.731,1136 3.088,1137 30.71,1138 13.888,1139 1.155,1140 3.405,1141 26.069,1142 2.503,1143 16.061,1144 18.057,1145 3.281,1146 33.265,1147 15.027,1148 0.477,1149 2.825,1150 28.063,1151 2.086,1152 17.294,1153 19.479,1154 3.553,1155 35.826,1156 16.181,1157 -0.372,1158 0.728,1159 30.058,1160 1.612,1161 18.524,1162 20.833,1163 3.773,1164 38.383,1165 17.328,1166 1404,1167 2036,1168 8.841,1169 21.694,1170 22.499,1171 22.189,1172 23.38,1173 22.061,1174 22.072,1175 27.525,1176 5.698,1177 64.739,1178 20.911,1179 5.392,1180 5.788,1181 7.097,1182 5.359,1183 5.437,1184 7.01,1185 2.208,1186 20.683,1187 5.173,1188 9.406,1189 1.5,1190 1.479,1191 1.559,1192 1.471,1193 1.471,1194 1.835,1195 0.38,1196 4.316,1197 1.394,1198 3.999,1199 4.045,1200 3.933,1201 3.879,1202 4.876,1203 3.886,1204 3.697,1205 3.747,1206 3.581,1207 3.581,1208 4.686,1209 3.572,1210 3.429,1211 3.513,1212 3.257,1213 3.236,1214 4.394,1215 3.231,1216 3.249,1217 3.315,1218 3.062,1219 2.967,1220 4.187,1221 2.977,1222 2.874,1223 3.009,1224 2.612,1225 2.667,1226 3.572,1227 2.644,1228 2.796,1229 2.912,1230 2.499,1231 2.618,1232 3.566,1233 2.57,1234 2.778,1235 2.869,1236 2.476,1237 2.541,1238 3.467,1239 2.513,1240 2.677,1241 2.768,1242 2.412,1243 2.522,1244 3.353,1245 2.479,1246 0.305,1247 0.253,1248 0.494,1249 0.291,1250 0.229,1251 4.578,1252 0.267,1253 3.788,1254 0.086,1255 7.407,1256 0.861,1257 4.359,1258 0.212,1259 3.437,1260 4.01,1261 1.285,1262 12.921,1263 3.173,1264 1.942,1265 1.906,1266 2.072,1267 2.1,1268 1.287,1269 2.095,1270 1.697,1271 1.646,1272 1.896,1273 1.843,1274 0.975,1275 1.862,1276 1.428,1277 1.342,1278 1.729,1279 1.652,1280 0.784,1281 1.685,1282 1.197,1283 1.124,1284 1.573,1285 1.512,1286 0.574,1287 1.532,1288 0.934,1289 0.804,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.839,1295 0.759,1296 1.309,1297 1.136,1298 0.413,1299 1.203,1300 0.826,1301 0.71,1302 1.145,1303 1.013,1304 0.179,1305 1.06,1306 0.705,1307 0.628,1308 1.113,1309 0.967,1310 0.071,1311 1.026,1312 3.434,1314 4.745,1316 6.26,1318 7.874,1320 9.54,1322 8.077,1328 0.917,1330 5.368,1335 0.763,1340 19.741,1341 44.981,1342 100.712,1343 138.505,1344 146.505,1345 148.505,1346 148.505,1347 22.606,1348 5.273,1349 9.23,1350 9.23,1351 6,1352 11.722,1353 3,1354 2.322,1355 30.794,1356 32,1357 30,1358 0.5,1359 128.622,1360 220.75,1361 305.598,1362 838,1364 11.475,1365 0.765,1366 0.675,1367 11.475,1368 10.132,1369 6.97,1370 0.465,1371 0.35,1372 5.155,1373 6.686,1374 4.818,1375 4.185,1376 6.97,1377 5.25,1378 6.646,1379 0.316,1380 0.225,1381 6.646,1382 4.718,1383 4.372,1384 0.182,1385 0.107,1386 4.372,1387 2.58,1388 3.929,1389 0.131,1390 0.068,1391 3.929,1392 2.053,1393 2.357,1394 0.084,1395 0.034,1396 2.357,1397 0.951,1398 0.724,1399 43.759,1400 0.336,1401 14.827,1402 1.566,1403 72,1404 162.068,1405 77.321,1406 158.918,1407 214.98,1408 148,1409 81,1410 155.799,1411 88.042,1412 164.809,1413 231.02,1414 149,1415 5}
{0 CHEMBL294208,1 1.436,2 11.741,3 4.768,4 22.731,5 108.13,6 6.769,7 0.4,8 4.075,9 4.204,10 3.568,11 3.604,12 5.081,13 3.568,14 4.653,15 4.842,16 3.988,17 4.047,18 5.638,19 3.989,20 4.931,21 5.133,22 4.036,23 4.237,24 5.844,25 4.139,26 5.093,27 5.358,28 3.887,29 4.215,30 5.968,31 4.069,32 4.978,33 5.256,34 3.728,35 3.997,36 5.889,37 3.854,38 4.671,39 4.922,40 3.546,41 3.726,42 5.608,43 3.627,44 4.43,45 4.651,46 3.534,47 3.622,48 5.477,49 3.548,50 4.482,51 4.7,52 3.473,53 3.58,54 5.626,55 3.517,56 0.046,57 0.784,58 12.466,59 5.092,60 9.645,61 7.097,62 0.38,63 1.306,64 23.473,65 8.721,66 34.798,67 12.507,68 0.213,69 1.656,70 31.033,71 11.646,72 30.621,73 16.664,74 0.318,75 1.779,76 37.768,77 13.063,78 49.256,79 19.34,80 0.372,81 1.448,82 34.446,83 11.824,84 55.467,85 17.052,86 0.396,87 1.066,88 25.635,89 8.227,90 41.178,91 11.559,92 0.242,93 0.938,94 19.384,95 6.506,96 29.587,97 9.301,98 0.419,99 0.912,100 21.302,101 6.326,102 51.93,103 8.687,104 27,105 45,106 0.239,107 0.573,108 0.756,109 0.83,110 0.839,111 0.839,112 3.34,113 0.957,114 -4.75,115 -4.66,116 -4.38,121 40.7,122 3,123 1,124 1,125 1,126 1,127 1,130 1,144 7,145 2,146 3,161 1,176 12,179 1,180 4,183 3,185 5,187 15,192 4,197 6,200 13,206 9,211 3,214 7,219 9,222 1,224 3,227 2,231 1,232 3,237 3,239 4,244 4,247 1,248 1,249 2,251 8,255 1,256 4,259 1,264 8,274 2,277 10,281 1076,282 17.789,283 17.789,284 17.789,285 17.789,286 17.789,287 16.25,288 29.198,289 10.065,290 18.111,291 14.767,292 14.767,293 14.767,294 14.767,295 14.767,296 12.341,297 39.44,298 4.757,299 15.289,300 4.319,301 2.317,302 1.216,303 0.774,304 0.723,305 0.723,306 4.031,311 1,312 1,313 695,314 3.808,317 111.893,318 151.771,320 90.069,321 95.141,324 133.45,325 1.77,326 19.726,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 57.5,338 317,339 4.778,340 3.908,341 7.93,342 4.664,343 3.682,344 4.16,345 2.186,346 14.919,347 3.621,348 4.126,349 3.675,350 6.126,351 3.792,352 2.804,353 3.691,354 0.886,355 8.54,356 2.777,357 3.979,358 2.993,359 5.931,360 3.639,361 2.685,362 3.311,363 0.4,364 8.246,365 2.554,366 3.742,367 2.822,368 5.614,369 3.447,370 2.483,371 2.998,372 0.366,373 7.445,374 2.386,375 3.5,376 2.571,377 5.511,378 3.186,379 2.248,380 2.748,382 7.055,383 2.098,384 3.27,385 2.437,386 5.261,387 3.115,388 2.163,389 2.41,391 6.66,392 2.044,393 3.229,394 2.325,395 4.633,396 2.804,397 1.818,398 2.327,400 4.939,401 1.773,402 2.571,403 1.543,404 4.501,405 2.252,406 1.293,407 1.593,409 3.769,410 1.239,411 2.5,412 1.314,413 4.144,414 2.22,415 1.227,416 1.5,418 2.987,419 1.215,420 2.452,421 1.168,422 3.769,423 2.104,424 1.118,425 1.441,427 2.908,428 1.1,429 2.268,430 1,431 3.414,432 2,433 1,434 1.256,436 2.275,437 1,438 1.6,439 0.869,440 3.289,441 1.422,442 0.469,443 0.511,445 1.156,446 0.445,447 1.261,448 0.581,449 2.992,450 0.993,451 0.064,452 0.072,454 0.17,455 0.059,456 1.138,457 0.367,458 2.817,459 0.8,460 -0.184,461 -0.224,463 -0.445,464 -0.178,465 0.681,466 -0.13,467 2.451,468 0.367,469 -0.594,470 -0.682,472 -1.622,473 -0.563,474 12.867,475 0.477,476 0.894,477 0.033,478 32.5,479 1.204,480 15,481 0.556,482 17.5,483 0.648,484 25.121,485 0.93,486 29.733,487 0.551,488 23.434,489 0.868,490 5.931,491 0.22,492 6.933,493 0.257,494 0.181,495 0.039,496 0.342,501 0.835,502 1.351,503 0.875,504 1.138,505 0.672,506 1.024,507 0.616,508 0.963,509 0.806,510 0.883,511 0.392,512 0.862,513 0.991,514 1.307,515 1.092,516 1.218,517 0.731,518 1.174,519 0.938,520 1.049,521 1.051,522 1.081,523 0.726,524 1.069,525 1.139,526 0.955,527 0.897,528 0.973,529 1.285,530 0.922,531 1.818,532 0.846,533 1.008,534 0.807,535 1.624,536 0.823,537 1.252,538 1.072,539 0.985,540 1.052,541 1.393,542 0.992,543 2.384,544 0.772,545 1.237,546 0.795,547 3.162,548 0.874,549 7.5,550 0.126,551 4.222,552 2.896,553 1.503,554 0.882,555 0.598,556 0.325,557 0.317,558 0.222,559 9493,560 19349,561 2.066,562 50,563 10,564 12,565 1,567 2,569 2,572 1.695,573 1.895,574 3.478,575 0.194,582 77.52,583 1.436,584 3.438,585 4.538,586 4.981,587 5.032,588 5.032,589 2.954,590 4.533,591 4.727,592 3.674,593 1289.53,594 8.175,595 16759.2,597 1,600 310.764,601 1.675,602 4.66,603 0.25,604 0.006,605 0.094,606 0.064,607 0.042,608 0.029,609 0.023,610 0.012,611 0.013,612 0.01,613 0.544,614 0.33,615 1,616 0.803,617 135.109,618 -0.02,619 -0.121,620 0.063,621 -0.029,622 -0.067,623 0.019,624 0.321,625 0.183,626 0.163,627 0.15,628 0.262,629 0.14,630 -0.081,631 -0.223,632 -0.132,633 -0.185,634 -0.02,635 -0.169,636 -0.052,637 -0.056,638 -0.076,639 -0.117,640 0.047,641 -0.095,642 0.055,643 -0.065,644 0.112,645 -0.018,646 0.03,647 0.044,648 -0.115,649 0.066,650 0.051,651 0.135,652 -0.141,653 0.112,654 0.082,655 -0.029,656 0.033,657 -0.083,658 0.038,659 -0.038,660 -0.237,661 0.22,662 -0.133,663 0.122,664 -0.299,665 0.021,666 2.136,667 5.303,668 0.667,669 24.132,670 0.992,671 1.128,672 3.52,673 12.394,674 0.649,675 3.434,676 3.829,677 4.127,678 4.419,679 4.625,680 4.718,681 4.875,682 4.934,683 4.92,684 5.011,685 6.861,686 0.608,687 365.52,688 3.434,689 5.017,690 5.894,691 6.81,692 7.71,693 8.633,694 9.545,695 10.473,696 11.394,697 12.327,698 5.6,701 1,703 1,705 1,715 7,720 5,722 12,734 1,737 1,741 54,743 13,744 2,745 30,747 57,748 22,749 12,750 5,751 7,756 4,757 7,763 3,764 1,766 1,767 1,770 1,772 13,773 9,774 1,777 1,782 1,786 1,793 27,794 5,795 2,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 4,868 27,876 2,877 2,878 1,880 2,881 1,882 1,893 3.7,896 1,898 1,901 14.25,902 10.783,903 5.708,904 3.346,907 2.197,908 1.284,909 0.961,910 4.647,911 9.924,912 3.638,913 4.22,914 4.732,915 5.267,916 5.763,917 5.939,918 6.263,919 6.481,920 6.546,921 6.805,922 0.875,923 45,924 10.021,926 4.31,927 0.026,929 7.59,931 19.57,933 16.702,936 2.09,937 56.417,939 1,940 1,941 294.278,942 129.737,943 39.146,945 36.145,948 129.737,949 330.422,950 39.146,951 34.872,952 22.651,953 66.334,954 43.156,955 31.252,956 18.534,957 282.506,959 294.278,960 168.882,961 36.145,964 270.735,965 59.687,968 52.251,969 98.621,970 18.011,972 294.278,973 75.291,974 129.737,977 294.278,978 28.531,979 104.33,980 36.022,981 36.145,982 294.278,983 75.291,984 129.737,986 0.603,987 0.354,988 0.185,989 0.098,990 24,991 11,992 0.07,993 4,994 2,995 1.222,996 3.87,997 235.373,998 0.222,999 18,1000 122.382,1005 18.33,1006 6.844,1007 3.324,1009 75.291,1010 13.72,1015 4.902,1017 36.022,1018 499.305,1019 37,1024 12.303,1028 -0.469,1031 53.563,1032 60.896,1034 0.249,1035 0.597,1036 0.789,1037 0.866,1038 0.874,1039 0.874,1040 4.934,1041 1.293,1042 5.943,1043 4.939,1044 4.511,1045 4.905,1046 2.41,1047 6.855,1048 4.446,1049 6.156,1050 1.227,1051 7.576,1052 3.769,1053 4.369,1054 4.808,1055 1.847,1056 8.187,1057 4.291,1058 7.49,1059 1.118,1060 9.326,1061 2.987,1062 6.244,1063 7.025,1064 3.516,1065 11.316,1066 6.13,1067 8.859,1068 1,1069 11.151,1070 2.908,1071 6.919,1072 7.669,1073 3.601,1074 13.572,1075 6.803,1076 10.263,1077 0.469,1078 13.032,1079 2.275,1080 8.356,1081 9.443,1082 4.909,1083 16.366,1084 8.216,1085 11.692,1086 0.064,1087 14.955,1088 1.156,1089 9.39,1090 10.431,1091 5.291,1092 18.941,1093 9.248,1094 13.142,1095 -0.184,1096 16.913,1097 0.17,1098 10.701,1099 12.021,1100 6.388,1101 21.664,1102 10.542,1103 3.682,1104 -0.594,1105 18.897,1106 -0.445,1107 11.89,1108 13.192,1109 6.93,1110 24.331,1111 11.724,1112 2.804,1113 14.919,1114 20.902,1115 -1.622,1116 13.175,1117 14.693,1118 7.902,1119 27.039,1120 12.995,1121 2.685,1122 8.54,1123 22.923,1124 4.16,1125 14.428,1126 15.967,1127 8.539,1128 29.731,1129 14.236,1130 2.483,1131 8.246,1132 24.957,1133 3.691,1134 15.715,1135 17.423,1136 9.436,1137 32.435,1138 15.508,1139 2.248,1140 7.445,1141 27,1142 3.311,1143 16.995,1144 18.757,1145 10.13,1146 35.135,1147 16.774,1148 2.163,1149 7.055,1150 29.05,1151 2.998,1152 18.287,1153 20.191,1154 10.981,1155 37.838,1156 18.051,1157 1.818,1158 6.66,1159 31.105,1160 2.748,1161 19.579,1162 21.559,1163 11.71,1164 40.539,1165 19.328,1166 9022,1167 13042,1168 19.592,1169 35.063,1170 46.482,1171 47.414,1172 48.248,1173 46.053,1174 46.107,1175 56.036,1176 7.677,1177 142.14,1178 44.619,1179 5.74,1180 5.908,1181 7.344,1182 5.756,1183 5.682,1184 7.16,1185 3.889,1186 23.348,1187 5.621,1188 15.199,1189 1.549,1190 1.58,1191 1.608,1192 1.535,1193 1.537,1194 1.868,1195 0.256,1196 4.738,1197 1.487,1198 4.084,1199 4.122,1200 4.028,1201 3.989,1202 7.435,1203 3.994,1204 3.947,1205 3.981,1206 3.881,1207 3.881,1208 4.855,1209 3.876,1210 3.703,1211 3.745,1212 3.62,1213 3.563,1214 4.742,1215 3.567,1216 3.54,1217 3.605,1218 3.42,1219 3.388,1220 4.454,1221 3.378,1222 3.33,1223 3.368,1224 3.227,1225 3.059,1226 4.182,1227 3.095,1228 3.233,1229 3.318,1230 3.034,1231 3.005,1232 4.102,1233 3.013,1234 3.056,1235 3.145,1236 2.914,1237 2.837,1238 3.882,1239 2.842,1240 2.947,1241 3.061,1242 2.687,1243 2.735,1244 3.758,1245 2.715,1246 0.159,1247 0.13,1248 0.264,1249 0.155,1250 0.123,1251 4.778,1252 0.139,1253 3.908,1254 0.073,1255 7.93,1256 0.497,1257 4.664,1258 0.121,1259 3.682,1260 4.16,1261 2.186,1262 14.919,1263 3.621,1264 1.939,1265 1.911,1266 2.069,1267 2.036,1268 1.31,1269 2.046,1270 1.899,1271 1.879,1272 2.002,1273 1.982,1274 1.252,1275 1.988,1276 1.609,1277 1.557,1278 1.812,1279 1.81,1280 1.022,1281 1.809,1282 1.541,1283 1.476,1284 1.794,1285 1.76,1286 0.995,1287 1.778,1288 1.526,1289 1.441,1290 1.781,1291 1.722,1292 0.909,1293 1.749,1294 1.156,1295 1.136,1296 1.453,1297 1.485,1298 0.563,1299 1.43,1300 1.014,1301 0.9,1302 1.417,1303 1.291,1304 0.469,1305 1.353,1306 0.945,1307 0.86,1308 1.31,1309 1.24,1310 0.417,1311 1.308,1312 4.111,1314 5.485,1315 3.045,1316 7.045,1317 5.587,1318 8.694,1319 7.825,1320 10.399,1322 8.712,1328 2.15,1329 6.393,1330 5.55,1332 0.766,1333 2.341,1334 0.048,1340 32.815,1341 77.52,1342 185.647,1343 245.073,1344 268.989,1345 271.744,1346 271.744,1347 42.476,1348 7.727,1349 53.6,1350 53.6,1351 22,1352 12.83,1353 3.807,1354 3,1355 40.549,1356 112,1357 111,1358 0.177,1359 200.112,1360 350.02,1361 480.033,1362 24678,1364 19.181,1365 0.71,1366 0.606,1367 19.181,1368 16.374,1369 12.864,1370 0.429,1371 0.319,1372 9.457,1373 12.446,1374 9.069,1375 7.588,1376 12.864,1377 9.568,1378 12.511,1379 0.278,1380 0.182,1381 12.511,1382 8.194,1383 10.484,1384 0.172,1385 0.098,1386 10.484,1387 5.961,1388 8.812,1389 0.107,1390 0.052,1391 8.812,1392 4.247,1393 6.97,1394 0.069,1395 0.028,1396 6.97,1397 2.843,1398 0.283,1399 80.054,1400 0.226,1401 26.119,1402 0.472,1403 150,1404 365.782,1405 162.998,1406 356.38,1407 497.79,1408 334,1409 181,1410 380.247,1411 193.643,1412 387.374,1413 570.55,1414 363,1415 5.695}
{0 CHEMBL294251,1 1.376,2 10.375,3 2.404,4 5.781,5 95.217,6 6.569,7 0.48,8 3.966,9 4.088,10 3.418,11 3.455,12 5.019,13 3.416,14 4.515,15 4.718,16 3.734,17 3.829,18 5.458,19 3.777,20 4.711,21 4.885,22 3.834,23 4.044,24 5.752,25 3.946,26 4.92,27 5.168,28 3.728,29 4.063,30 5.84,31 3.918,32 4.863,33 5.121,34 3.607,35 3.973,36 5.775,37 3.817,38 4.72,39 4.974,40 3.444,41 3.838,42 5.653,43 3.669,44 4.664,45 4.953,46 3.342,47 3.69,48 5.533,49 3.53,50 4.463,51 4.719,52 3.328,53 3.563,54 5.449,55 3.444,56 0.028,57 0.658,58 11.637,59 4.871,60 9.131,61 6.623,62 0.249,63 1.034,64 21.254,65 7.435,66 19.707,67 10.4,68 0.259,69 1.263,70 25.322,71 10.257,72 33.554,73 13.979,74 0.266,75 1.42,76 31.677,77 11.994,78 47.163,79 16.875,80 0.403,81 1.316,82 30.214,83 11.067,84 49.527,85 15.697,86 0.306,87 1.154,88 25.943,89 9.784,90 43.68,91 13.919,92 0.328,93 1.023,94 24.938,95 8.811,96 42.113,97 12.621,98 0.204,99 0.866,100 20.254,101 7.226,102 37.468,103 10.17,104 46,105 35,106 0.235,107 0.51,108 0.682,109 0.77,110 0.776,111 0.783,112 3.227,113 0.983,114 -0.85,115 -0.96,116 -1.07,121 40,123 2,126 5,144 7,145 2,146 3,159 1,176 9,180 4,187 10,189 2,191 1,192 7,200 9,203 2,206 4,214 6,216 2,218 1,219 3,227 6,229 1,231 1,232 3,239 6,244 3,246 1,251 5,253 1,256 3,264 3,266 2,269 3,277 1,279 1,281 782,282 15.643,283 15.643,284 15.643,285 15.643,286 15.643,287 14.142,288 19.757,289 9.014,290 16.084,291 12.178,292 12.178,293 12.178,294 12.178,295 12.178,296 9.71,297 24.11,298 4.068,299 12.702,300 4.268,301 2.655,302 1.649,303 1.136,304 1.096,305 1.056,306 3.885,310 1,311 1,312 1,313 506,314 3.937,318 178.374,325 1.625,326 19.474,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 51.5,338 249,339 4.452,340 3.657,341 7.116,342 4.241,343 3.319,344 3.97,345 1.277,346 11.689,347 3.066,348 4.325,349 3.609,350 6.238,351 3.941,352 2.96,353 3.864,354 1.2,355 9.347,356 2.921,357 3.897,358 3.16,359 5.89,360 3.579,361 2.595,362 3.236,363 0.86,364 8.101,365 2.524,366 3.762,367 2.686,368 5.381,369 3.421,370 2.432,371 3.073,372 0.86,373 7.092,374 2.394,375 2.972,376 2.197,377 4.52,378 2.626,379 1.644,380 2.104,382 4.527,383 1.613,384 2.919,385 1.935,386 4.401,387 2.522,388 1.607,389 2.057,391 4.186,392 1.461,393 2.829,394 1.755,395 4.145,396 2.398,397 1.389,398 1.886,400 3.657,401 1.393,402 2.571,403 1.17,404 3.494,405 2.108,406 1.115,407 1.601,409 2.548,410 1.106,411 1.889,412 1.058,413 3.11,414 1.61,415 0.691,416 0.804,418 1.325,419 0.626,420 1.745,421 0.987,422 2.957,423 1.439,424 0.446,425 0.536,427 0.916,428 0.436,429 1.451,430 0.934,431 2.724,432 1.177,433 0.309,434 0.346,436 0.423,437 0.268,438 0.834,439 0.099,440 2.54,441 0.468,442 -0.483,443 -0.578,445 -0.882,446 -0.445,447 0.808,448 -0.051,449 2.356,450 0.415,451 -0.59,452 -0.774,454 -1.373,455 -0.588,456 0.634,457 -0.542,458 2.136,459 0.205,460 -0.783,461 -1,463 -2.213,464 -0.768,465 0.583,466 -0.6,467 2,468 0.135,469 -0.834,470 -1,472 -2.249,473 -0.804,474 11.4,475 0.475,476 0.74,477 0.031,478 29.25,479 1.219,480 14.5,481 0.604,482 14.75,483 0.615,484 19.576,485 0.816,486 27.3,487 0.546,488 22.702,489 0.946,490 6.163,491 0.257,492 5.183,493 0.216,494 0.249,495 0.035,496 0.263,501 0.807,502 1.496,503 0.907,504 1.3,505 0.649,506 1.141,507 1.33,508 0.737,509 0.903,510 0.686,511 0.719,512 0.708,513 0.875,514 1.29,515 1.133,516 1.298,517 1.033,518 1.259,519 0.904,520 1.089,521 1,522 1.098,523 1.161,524 1.07,525 0.902,526 0.966,527 1.011,528 0.998,529 0.878,530 1.017,531 0.72,532 1.124,533 1.043,534 1.162,535 1.022,536 1.15,537 0.941,538 0.766,539 0.822,540 0.777,541 1.335,542 0.787,543 1.104,544 0.947,545 0.873,546 0.911,547 1.54,548 0.87,549 6.5,550 0.157,551 3.333,552 1.563,553 1.453,554 1,555 0.306,556 0.309,557 0.254,558 0.171,559 6021,560 13922,561 1.916,562 52,563 2,564 22,568 2,572 1.666,573 1.745,574 3.36,575 -0.823,576 1,577 1,582 68.788,583 1.376,584 2.988,585 3.995,586 4.508,587 4.548,588 4.588,589 2.772,590 4.137,591 4.56,592 3.533,593 975.182,594 7.851,595 11830.9,597 1,599 1,600 282.193,601 1.707,602 4.473,603 0.26,604 0.01,605 0.095,606 0.043,607 0.047,608 0.037,609 0.014,610 0.015,611 0.012,612 0.009,613 0.542,614 0.5,615 1,616 1.066,617 115.58,618 0.019,619 -0.268,620 0.06,621 -0.148,622 -0.039,623 -0.057,624 -0.161,625 0.39,626 0.118,627 0.319,628 0.014,629 0.275,630 0.046,631 -0.185,632 -0.165,633 -0.21,634 -0.022,635 -0.215,636 -0.032,637 -0.111,638 -0.038,639 -0.096,640 -0.065,641 -0.072,642 0.032,644 -0.039,645 -0.019,646 0.07,647 -0.035,648 0.093,649 -0.15,650 -0.09,651 -0.167,652 0.081,653 -0.155,654 0.031,655 0.136,656 0.156,657 0.163,658 -0.013,659 0.173,660 -0.032,662 0.119,663 0.058,664 0.008,665 0.102,666 1.563,667 5.467,668 0.5,669 19.965,670 0.993,671 1.126,672 -0.376,673 0.141,674 0.638,675 3.258,676 3.584,677 3.761,678 3.892,679 4.078,680 4.025,681 4.025,682 3.85,683 3.892,684 3.97,685 6.335,686 0.595,687 328.47,688 3.258,689 4.796,690 5.617,691 6.485,692 7.326,693 8.191,694 9.038,695 9.902,696 10.752,697 11.613,698 2,712 1,715 7,720 5,722 12,727 1,739 2,741 50,743 13,744 2,745 25,747 51,748 20,749 12,750 5,751 7,752 1,756 2,757 2,770 2,772 13,773 7,777 1,782 1,786 1,789 1,790 1,793 26,794 3,796 4,802 1,803 1,807 1,808 1,809 3,829 2,859 2,864 5,868 24,876 2,878 2,883 1,893 6,896 1,898 2,901 13.75,902 10.583,903 5.389,904 2.896,907 2.158,908 1.329,909 0.906,910 5.894,911 8.721,912 3.497,913 4.06,914 4.57,915 5.027,916 5.524,917 5.575,918 5.72,919 5.471,920 5.722,921 6.079,922 0.857,923 36,924 8.866,926 3.551,927 0.026,929 7.688,931 17.029,933 13.255,936 2.188,937 52.5,940 1,941 306.049,942 143.106,945 47.145,948 143.106,949 353.193,951 46.955,952 5.069,953 66.334,954 30.278,955 41.615,957 306.049,959 306.049,960 143.106,961 47.145,964 306.049,965 47.145,968 5.069,969 138.037,972 306.049,973 47.145,974 143.106,977 306.049,978 29.817,979 113.289,981 47.145,982 306.049,983 47.145,984 143.106,986 0.584,987 0.337,988 0.163,989 0.088,990 15,991 8,992 0.137,993 7,995 1,996 3.503,997 180.367,999 12,1000 105.284,1005 18.34,1006 7.713,1007 4.75,1009 47.145,1010 13.692,1015 4.26,1018 496.3,1019 32,1024 12.467,1028 0.103,1031 49.629,1032 56.317,1034 0.244,1035 0.53,1036 0.708,1037 0.799,1038 0.806,1039 0.813,1040 4.736,1041 1.115,1042 5.652,1043 3.657,1044 4.263,1045 4.745,1046 2.213,1047 6.485,1048 4.191,1049 5.962,1050 0.691,1051 7.246,1052 2.548,1053 4.111,1054 4.649,1055 0.931,1056 7.695,1057 3.965,1058 7.287,1059 0.446,1060 8.953,1061 1.325,1062 5.948,1063 6.908,1064 2.367,1065 10.639,1066 5.794,1067 8.648,1068 0.309,1069 10.727,1070 0.916,1071 6.567,1072 7.538,1073 1.241,1074 12.615,1075 6.315,1076 10.037,1077 -0.483,1078 12.543,1079 0.423,1080 7.957,1081 9.342,1082 2.661,1083 15.182,1084 7.691,1085 11.446,1086 -0.59,1087 14.389,1088 -0.882,1089 8.891,1090 10.301,1091 1.521,1092 17.442,1093 8.525,1094 12.868,1095 -0.783,1096 16.255,1097 -1.373,1098 10.129,1099 11.903,1100 3.029,1101 19.91,1102 9.73,1103 3.319,1104 -0.834,1105 18.137,1106 -2.213,1107 11.197,1108 13.035,1109 1.818,1110 22.281,1111 10.704,1112 2.96,1113 11.689,1114 20.032,1115 -2.249,1116 12.385,1117 14.533,1118 3.441,1119 24.726,1120 11.841,1121 2.595,1122 9.347,1123 21.937,1124 3.97,1125 13.513,1126 15.761,1127 2.132,1128 27.143,1129 12.879,1130 2.432,1131 8.101,1132 23.851,1133 3.864,1134 14.688,1135 17.203,1136 3.879,1137 29.587,1138 13.99,1139 1.644,1140 7.092,1141 25.772,1142 3.236,1143 15.844,1144 18.488,1145 2.46,1146 32.024,1147 15.059,1148 1.607,1149 4.527,1150 27.698,1151 3.073,1152 17.019,1153 19.897,1154 4.331,1155 34.472,1156 16.162,1157 1.389,1158 4.186,1159 29.63,1160 2.104,1161 18.19,1162 21.215,1163 2.798,1164 36.919,1165 17.248,1166 6173,1167 9535,1168 15.603,1169 31.887,1170 37.464,1171 38.552,1172 38.506,1173 37.003,1174 37.016,1175 46.957,1176 8.395,1177 107.626,1178 35.613,1179 5.326,1180 5.657,1181 6.669,1182 5.241,1183 5.319,1184 6.97,1185 2.555,1186 18.661,1187 5.066,1188 15.363,1189 1.499,1190 1.542,1191 1.54,1192 1.48,1193 1.481,1194 1.878,1195 0.336,1196 4.305,1197 1.425,1198 4.018,1199 4.058,1200 3.953,1201 3.927,1202 7.427,1203 3.928,1204 3.926,1205 3.944,1206 3.876,1207 3.837,1208 4.922,1209 3.842,1210 3.652,1211 3.722,1212 3.523,1213 3.455,1214 4.752,1215 3.462,1216 3.473,1217 3.511,1218 3.37,1219 3.297,1220 4.496,1221 3.303,1222 3.247,1223 3.314,1224 3.052,1225 2.991,1226 4.289,1227 2.996,1228 3.218,1229 3.289,1230 3.033,1231 2.95,1232 4.266,1233 2.958,1234 2.959,1235 3.009,1236 2.809,1237 2.788,1238 3.855,1239 2.781,1240 2.874,1241 3.009,1242 2.584,1243 2.639,1244 3.554,1245 2.616,1246 0.178,1247 0.146,1248 0.285,1249 0.17,1250 0.133,1251 4.452,1252 0.159,1253 3.657,1254 0.051,1255 7.116,1256 0.468,1257 4.241,1258 0.123,1259 3.319,1260 3.97,1261 1.277,1262 11.689,1263 3.066,1264 1.971,1265 1.94,1266 2.098,1267 2.101,1268 1.3,1269 2.103,1270 1.893,1271 1.876,1272 1.988,1273 2.008,1274 1.148,1275 2,1276 1.621,1277 1.547,1278 1.865,1279 1.834,1280 1.034,1281 1.85,1282 1.437,1283 1.388,1284 1.673,1285 1.639,1286 0.812,1287 1.647,1288 1.193,1289 1.121,1290 1.576,1291 1.523,1292 0.575,1293 1.539,1294 1.188,1295 1.113,1296 1.553,1297 1.462,1298 0.573,1299 1.496,1300 0.94,1301 0.89,1302 1.417,1303 1.239,1304 0.469,1305 1.308,1306 0.934,1307 0.804,1308 1.417,1309 1.239,1310 0.469,1311 1.308,1312 3.932,1314 5.252,1316 6.765,1318 8.358,1320 9.99,1322 9.554,1328 1.192,1330 10.471,1335 0.761,1340 29.751,1341 68.788,1342 149.424,1343 199.747,1344 225.399,1345 227.399,1346 229.399,1347 50.189,1348 6.562,1349 35.53,1350 35.53,1351 12,1352 12.164,1353 3.807,1354 3,1355 48.647,1356 93,1357 80,1358 0.26,1359 187.585,1360 328.25,1361 449.468,1362 5500,1364 17.742,1365 0.739,1366 0.633,1367 17.742,1368 15.18,1369 11.346,1370 0.454,1371 0.328,1372 8.04,1373 10.832,1374 7.635,1375 6.497,1376 11.346,1377 8.195,1378 10.56,1379 0.302,1380 0.198,1381 10.56,1382 6.943,1383 8.072,1384 0.192,1385 0.099,1386 8.072,1387 4.139,1388 5.991,1389 0.125,1390 0.054,1391 5.991,1392 2.605,1393 4.767,1394 0.082,1395 0.031,1396 4.767,1397 1.803,1398 0.413,1399 71.778,1400 0.253,1401 23.625,1402 0.697,1403 120,1404 333.539,1405 129.97,1406 316.308,1407 424.93,1408 296,1409 137,1410 301.699,1411 148.414,1412 311.908,1413 444.15,1414 287,1415 5}
{0 CHEMBL294292,1 1.31,2 6.214,3 1.338,4 1.789,5 57.703,6 6.01,7 0.429,8 3.503,9 3.647,10 2.864,11 2.976,12 4.553,13 2.913,14 4.02,15 4.25,16 3.193,17 3.345,18 4.931,19 3.269,20 4.276,21 4.472,22 3.211,23 3.578,24 5.243,25 3.435,26 4.565,27 4.884,28 3.071,29 3.61,30 5.293,31 3.403,32 4.36,33 4.64,34 2.777,35 3.496,36 5.148,37 3.244,38 4.311,39 4.675,40 2.521,41 3.153,42 5.017,43 2.882,44 3.669,45 3.932,46 1.906,47 2.546,48 4.726,49 2.341,50 3.23,51 3.609,52 1.458,53 1.917,54 4.078,55 1.66,56 0.047,57 0.427,58 7.875,59 2.94,60 8.805,61 4.343,62 0.113,63 0.663,64 13.026,65 4.373,66 11.143,67 6.752,68 0.108,69 0.839,70 16.735,71 6.421,72 21.064,73 9.393,74 0.184,75 0.942,76 21.053,77 7.65,78 27.099,79 11.548,80 0.134,81 0.801,82 17.082,83 7.203,84 22.114,85 10.418,86 0.12,87 0.629,88 15.735,89 5.792,90 24.431,91 8.637,92 0.148,93 0.317,94 8.954,95 2.813,96 27.746,97 3.965,98 0.046,99 0.182,100 5.198,101 1.731,102 14.17,103 2.599,104 29,105 20,106 0.253,107 0.583,108 0.736,109 0.76,110 0.76,111 0.76,112 2.732,113 1.04,114 -0.23,115 -0.37,116 -0.54,121 37.5,122 1,126 2,127 1,136 1,138 1,144 4,146 2,176 4,185 2,187 3,189 3,197 2,200 2,203 4,214 2,226 1,227 6,239 4,249 1,261 2,281 180,282 8.524,283 8.524,284 8.524,285 8.524,286 8.524,287 7.579,288 11.819,289 4.956,290 8.691,291 6.888,292 6.888,293 6.888,294 6.888,295 6.888,296 5.527,297 14.781,298 2.336,299 7.205,300 3.69,301 1.986,302 1.196,303 1.071,304 1.071,305 1.071,306 3.331,311 1,312 1,313 166,314 3.317,318 48.356,325 0.99,326 8.757,329 1,330 0.83,331 0.83,332 0.9,333 1,334 1,335 1,336 0.94,337 29.5,338 87,339 4.497,340 3.747,341 7.305,342 4.308,343 3.387,344 3.852,345 1.285,346 12.489,347 3.12,348 3.792,349 2.657,350 5.19,351 3.378,352 2.414,353 3.17,354 0.704,355 6.377,356 2.321,357 3.444,358 2.507,359 4.871,360 3.049,361 2.062,362 2.624,364 5.284,365 2.031,366 2.885,367 1.735,368 4.31,369 2.499,370 1.538,371 1.973,373 4.168,374 1.472,375 2.5,376 1,377 3.414,378 2,379 1,380 1.5,382 2.275,383 1,384 1.105,385 0.197,386 2.962,387 0.74,388 -0.191,389 -0.229,391 -0.428,392 -0.175,393 0.838,394 0.058,395 2.538,396 0.534,397 -0.414,398 -0.445,400 -1.148,401 -0.391,402 0.5,403 -0.6,404 2,406 -1,407 -1,409 -2,410 -0.9,411 0.325,412 -0.707,413 2,415 -1,416 -1.353,418 -3,419 -1,421 -0.905,422 1.651,423 -0.1,424 -1,425 -1.449,427 -3,428 -1,429 -0.045,430 -1,431 1.302,432 -0.346,433 -1.247,434 -1.5,435 -0.266,436 -3.065,437 -1.125,438 -0.5,439 -1.254,440 1,441 -0.715,442 -1.66,443 -1.893,444 -0.4,445 -5.275,446 -1.573,447 -0.539,448 -1.615,449 0.871,450 -0.947,451 -1.888,452 -2.25,453 -0.4,454 -5.389,455 -1.78,456 -0.802,457 -2,458 0.586,459 -1,460 -2,461 -3,462 -0.923,463 -7.29,464 -2,474 6.733,475 0.481,476 0.584,477 0.042,478 15.75,479 1.125,480 7.5,481 0.536,482 8.25,483 0.589,484 10.136,485 0.724,486 16.367,487 0.511,488 10.537,489 0.753,490 3.349,491 0.239,492 3.067,493 0.219,494 0.347,495 0.059,496 0.223,501 1.095,502 1.573,503 1.072,504 1.282,505 1.146,506 1.19,507 1.113,508 0.892,509 0.898,510 0.771,511 0.475,512 0.78,513 1.02,514 1.574,515 1.368,516 1.519,517 1.004,518 1.483,519 0.74,520 0.742,521 0.855,522 0.772,523 0.561,524 0.809,525 0.21,526 1.238,527 1.138,528 1.353,529 0.57,530 1.344,531 0.48,532 0.671,533 0.585,534 0.714,535 0.538,536 0.668,537 3.003,538 0.923,539 1.51,540 1.003,541 3.44,542 1.124,543 0.76,544 0.602,545 0.432,546 0.619,547 0.573,548 0.514,549 5,551 2.222,552 1.25,553 0.582,554 0.493,555 0.122,556 0.118,559 1072,560 2378,561 1.79,562 56.3,563 3,564 14,567 1,572 1.51,573 1.6,574 2.646,575 -0.305,579 1,582 41.922,583 1.31,584 3.014,585 3.804,586 3.929,587 3.929,588 3.929,589 2.156,590 2.611,591 3.777,592 2.741,593 249.435,594 6.305,595 1935.75,597 1,600 160,601 1.809,602 3.655,603 0.357,605 0.111,606 0.069,607 0.036,608 0.049,609 0.015,610 0.039,613 0.678,614 1,615 1,616 1.618,617 52.641,618 -0.027,619 -0.291,620 0.015,621 -0.105,622 -0.195,623 -0.057,624 -0.079,625 0.302,626 0.155,627 0.248,628 0.145,629 0.236,630 -0.109,631 -0.421,632 -0.351,633 -0.415,634 -0.126,635 -0.41,636 -0.037,637 0.189,638 0.073,639 0.15,640 0.041,641 0.129,642 0.127,643 -0.267,644 -0.245,645 -0.321,646 -0.09,647 -0.323,648 0.157,649 0.106,650 0.29,651 0.149,652 0.191,653 0.224,654 -0.463,655 -0.102,656 -0.425,657 -0.126,658 -0.594,659 -0.26,660 0.252,661 0.078,662 0.459,663 0.168,664 0.569,665 0.316,666 1.357,667 3.18,668 0.429,669 7.102,670 0.982,671 1.132,672 -1.001,673 1.003,674 0.623,675 2.708,676 3.045,677 3.091,678 3.219,679 3.219,680 3.135,681 2.708,682 2.398,683 1.609,685 3.816,686 0.569,687 192.31,688 2.708,689 4.234,690 5.017,691 5.894,692 6.706,693 7.586,694 8.408,695 9.289,696 10.115,697 10.997,698 3.1,712 1,715 4,720 2,722 6,738 1,741 32,743 7,744 1,745 14,747 32,748 12,749 6,750 2,751 4,756 1,757 1,763 1,772 8,773 4,777 1,778 1,786 1,790 1,793 18,794 1,795 1,796 2,802 1,803 1,807 1,808 1,809 1,829 1,848 1,850 1,859 1,864 3,868 14,875 1,876 1,883 1,893 3.1,895 1,901 8.75,902 6.533,903 3.042,904 1.793,907 1.239,908 1.242,909 0.855,910 3.09,911 6.363,912 2.944,913 3.481,914 3.812,915 4.254,916 4.676,917 4.627,918 4.427,919 4.202,920 3.841,922 1,923 18,924 5.138,925 0.002,926 1.997,927 0.026,929 7.714,931 9.892,932 0.001,933 7.588,934 0.001,936 2.214,937 31,938 0.006,941 200.109,942 87.338,945 42.683,948 87.338,949 242.792,951 25.618,952 17.873,953 37.905,954 42.683,955 5.942,957 200.109,959 200.109,960 87.338,961 42.683,964 200.109,965 42.683,968 10.931,969 76.407,972 200.109,973 42.683,974 87.338,977 200.109,978 8.048,979 63.523,981 58.45,982 200.109,983 42.683,984 87.338,986 0.594,987 0.3,988 0.147,989 0.071,990 9,991 5,992 0.094,993 3,995 1,996 2.454,997 80.945,999 6,1000 47.303,1005 10.961,1006 3.947,1007 2.961,1009 42.683,1010 7.318,1015 1.481,1017 42.683,1018 330.13,1019 18,1020 3.918,1028 1.156,1031 31.44,1032 36.237,1034 0.262,1035 0.603,1036 0.761,1037 0.786,1038 0.786,1039 0.786,1040 4.182,1041 -1,1042 5.106,1043 -1.148,1044 3.714,1045 4.159,1046 1.479,1047 5.969,1048 3.62,1049 5.43,1050 -1,1051 6.725,1052 -2,1053 3.761,1054 4.159,1055 0.931,1056 7.413,1057 3.547,1058 6.767,1059 -1,1060 8.472,1061 -3,1062 5.451,1063 6.26,1064 1.558,1065 10.367,1066 5.215,1067 8.134,1068 -1.247,1069 10.298,1070 -3,1071 6.217,1072 6.895,1073 1.381,1074 12.577,1075 5.837,1076 9.528,1077 -1.66,1078 12.176,1079 -3.065,1080 7.569,1081 8.633,1082 1.831,1083 15.223,1084 7.152,1085 10.942,1086 -1.888,1087 14.088,1088 -5.275,1089 8.616,1090 9.561,1091 1.838,1092 17.657,1093 8.067,1094 12.372,1095 -2,1096 16.024,1097 -5.389,1098 9.869,1099 11.137,1100 2.198,1101 20.22,1102 9.263,1103 3.387,1105 17.976,1106 -7.29,1107 11.023,1108 12.226,1109 2.311,1110 22.718,1111 10.304,1112 2.414,1113 12.489,1114 19.94,1116 12.249,1117 13.712,1118 2.619,1119 25.255,1120 11.458,1121 2.062,1122 6.377,1123 21.912,1124 3.852,1125 13.443,1126 14.899,1127 2.793,1128 27.771,1129 12.553,1130 1.538,1131 5.284,1132 23.889,1133 3.17,1134 14.662,1135 16.331,1136 3.072,1137 30.3,1138 13.694,1139 1,1140 4.168,1141 25.87,1142 2.624,1143 15.872,1144 17.579,1145 3.281,1146 32.822,1147 14.813,1148 -0.191,1149 2.275,1150 27.853,1151 1.973,1152 17.09,1153 18.978,1154 3.546,1155 35.348,1156 15.95,1157 -0.414,1158 -0.428,1159 29.838,1160 1.5,1161 18.306,1162 20.263,1163 3.773,1164 37.872,1165 17.079,1166 1229,1167 1878,1168 8.148,1169 19.932,1170 21.378,1171 20.565,1172 21.819,1173 20.896,1174 20.801,1175 26.24,1176 3.978,1177 61.186,1178 19.889,1179 5.299,1180 5.747,1181 6.72,1182 5.308,1183 5.387,1184 6.852,1185 2.208,1186 19.778,1187 5.12,1188 9.036,1189 1.527,1190 1.469,1191 1.558,1192 1.493,1193 1.486,1194 1.874,1195 0.284,1196 4.37,1197 1.421,1198 3.993,1199 4.042,1200 3.923,1201 3.876,1202 6.471,1203 3.881,1204 3.697,1205 3.744,1206 3.586,1207 3.579,1208 4.735,1209 3.572,1210 3.433,1211 3.513,1212 3.27,1213 3.236,1214 4.604,1215 3.235,1216 2.874,1217 3.009,1218 2.693,1219 2.735,1220 4.128,1221 2.715,1222 2.854,1223 2.925,1224 2.687,1225 2.618,1226 3.674,1227 2.623,1228 2.835,1229 2.914,1230 2.499,1231 2.616,1232 3.567,1233 2.57,1234 2.777,1235 2.869,1236 2.414,1237 2.528,1238 3.467,1239 2.482,1240 2.588,1241 2.716,1242 2.234,1243 2.335,1244 3.218,1245 2.293,1246 0.321,1247 0.268,1248 0.522,1249 0.308,1250 0.242,1251 4.497,1252 0.275,1253 3.747,1254 0.092,1255 7.305,1256 0.892,1257 4.308,1258 0.223,1259 3.387,1260 3.852,1261 1.285,1262 12.489,1263 3.12,1264 1.941,1265 1.903,1266 2.074,1267 2.098,1268 1.284,1269 2.095,1270 1.694,1271 1.644,1272 1.888,1273 1.838,1274 0.963,1275 1.855,1276 1.425,1277 1.342,1278 1.722,1279 1.652,1280 0.778,1281 1.681,1282 0.934,1283 0.821,1284 1.417,1285 1.239,1286 0.469,1287 1.308,1288 0.886,1289 0.804,1290 1.308,1291 1.136,1292 0.413,1293 1.203,1294 0.838,1295 0.724,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 0.761,1301 0.704,1302 1.137,1303 1.06,1304 0.046,1305 1.059,1306 0.632,1307 0.511,1308 0.976,1309 0.946,1311 0.987,1312 3.367,1314 4.691,1316 6.196,1318 7.785,1320 9.418,1322 6.28,1327 9.18,1328 0.908,1335 0.76,1340 18.214,1341 41.922,1342 96.436,1343 121.735,1344 125.735,1345 125.735,1346 125.735,1347 22.74,1348 5.124,1349 20.23,1350 20.23,1351 6,1352 11.544,1353 3,1354 2.322,1355 27.84,1356 31,1357 30,1358 0.474,1359 119.03,1360 203.45,1361 282.193,1362 679,1364 10.768,1365 0.769,1366 0.655,1367 10.768,1368 9.171,1369 6.416,1370 0.458,1371 0.347,1372 4.787,1373 6.211,1374 4.501,1375 3.889,1376 6.416,1377 4.856,1378 6.543,1379 0.327,1380 0.228,1381 6.543,1382 4.565,1383 4.055,1384 0.193,1385 0.114,1386 4.055,1387 2.392,1388 3.26,1389 0.136,1390 0.074,1391 3.26,1392 1.769,1393 1.923,1394 0.08,1395 0.031,1396 1.923,1397 0.754,1398 0.699,1399 39.892,1400 0.35,1401 14.066,1402 1.423,1403 68,1404 146.483,1405 72.546,1406 149.093,1407 197.7,1408 136,1409 75,1410 143.284,1411 80.491,1412 151.592,1413 210.24,1414 138,1415 5}
{0 CHEMBL294498,1 1.31,2 6.357,3 0.898,4 0.807,5 58.256,6 6.01,7 0.429,8 3.503,9 3.647,10 2.864,11 2.976,12 4.547,13 2.913,14 4.023,15 4.252,16 3.156,17 3.343,18 4.919,19 3.26,20 4.306,21 4.521,22 3.124,23 3.563,24 5.197,25 3.397,26 4.556,27 4.897,28 3.014,29 3.525,30 5.242,31 3.307,32 4.216,33 4.466,34 2.82,35 3.381,36 5.114,37 3.176,38 4.256,39 4.594,40 2.678,41 3.208,42 5.014,43 2.98,44 3.826,45 4.082,46 2.108,47 2.775,48 4.888,49 2.563,50 3.426,51 3.806,52 1.451,53 2.165,54 4.224,55 1.867,56 0.047,57 0.427,58 7.875,59 2.94,60 8.787,61 4.343,62 0.122,63 0.664,64 13.109,65 4.348,66 11.351,67 6.731,68 0.106,69 0.831,70 16.984,71 6.694,72 18.622,73 9.706,74 0.169,75 0.89,76 20.602,77 7.408,78 25.664,79 11.233,80 0.166,81 0.706,82 15.264,83 5.944,84 24.87,85 8.626,86 0.114,87 0.635,88 15.16,89 5.64,90 21.018,91 8.356,92 0.152,93 0.395,94 10.451,95 3.503,96 30.986,97 4.941,98 0.061,99 0.232,100 6.315,101 2.209,102 17.628,103 3.31,104 21,105 19,106 0.253,107 0.575,108 0.752,109 0.825,110 0.825,111 0.825,112 2.731,113 1.055,114 0.04,115 -0.11,116 -0.31,121 37.5,126 2,127 2,136 1,137 1,144 4,145 1,146 1,176 5,185 2,187 4,189 2,197 2,200 2,203 3,211 1,214 1,216 1,226 1,227 3,229 1,239 3,249 1,251 2,261 1,264 1,281 176,282 8.87,283 8.87,284 8.87,285 8.87,286 8.87,287 7.964,288 12.241,289 5.361,290 9.041,291 6.887,292 6.887,293 6.887,294 6.887,295 6.887,296 5.592,297 16.028,298 2.458,299 7.204,300 3.69,301 2.027,302 1.11,303 0.735,304 0.735,305 0.735,306 3.337,311 1,312 1,313 172,314 3.162,318 48.976,325 0.98,326 8.745,329 1,330 0.83,331 0.83,332 0.9,333 1,334 1,335 1,336 0.94,337 29.5,338 89,339 4.266,340 3.627,341 6.741,342 4.13,343 3.216,344 3.675,345 1.31,346 11.044,347 2.946,348 3.944,349 2.782,350 5.454,351 3.551,352 2.577,353 3.168,354 0.359,355 7.276,356 2.501,357 3.234,358 2.222,359 4.727,360 2.862,361 1.897,362 2.467,363 0.13,364 5.204,365 1.822,366 2.677,367 1.542,368 3.599,369 2.192,370 1.199,371 1.739,373 2.604,374 1.189,375 2.632,376 1.242,377 3.46,378 2.098,379 1.109,380 1.485,382 1.885,383 1.096,384 1.167,385 0.198,386 2.887,387 0.878,388 -0.096,389 -0.114,391 -0.256,392 -0.093,393 0.902,394 -0.057,395 2,396 0.5,397 -0.425,398 -0.527,400 -0.838,401 -0.386,402 0.807,403 -0.311,404 2,405 0.422,406 -0.537,407 -0.702,409 -1.038,410 -0.513,411 0.356,412 -0.6,413 2,414 -0.027,415 -1,416 -1,418 -2.885,419 -0.9,421 -0.855,422 2,423 -0.1,424 -1,425 -1.289,427 -3,428 -0.97,429 -0.106,430 -1.173,431 1.347,432 -0.454,433 -1.382,434 -1.796,436 -3.433,437 -1.292,438 -0.5,439 -1.263,440 1.057,441 -0.705,442 -1.655,443 -1.912,444 -0.4,445 -4.763,446 -1.577,447 -0.559,448 -1.534,449 0.445,450 -0.948,451 -1.903,452 -2.194,453 -0.64,454 -5.438,455 -1.823,456 -0.819,457 -2,458 0.283,459 -1,460 -2,461 -3,462 -0.759,463 -6.361,464 -2,474 6.733,475 0.481,476 0.467,477 0.033,478 15.75,479 1.125,480 7.5,481 0.536,482 8.25,483 0.589,484 9.505,485 0.679,486 16.367,487 0.511,488 10.413,489 0.744,490 3.502,491 0.25,492 3.031,493 0.216,494 0.272,495 0.059,496 0.149,501 1.095,502 1.573,503 1.072,504 1.282,505 1.111,506 1.19,507 1.225,508 0.869,509 1.02,510 0.807,511 0.53,512 0.849,513 0.905,514 1.508,515 1.326,516 1.501,517 0.924,518 1.465,519 0.595,520 0.712,521 0.677,522 0.701,523 0.479,524 0.693,525 0.842,526 1.249,527 1.274,528 1.316,529 1.241,530 1.342,531 0.571,532 0.746,533 0.683,534 0.796,535 0.537,536 0.755,537 2.574,538 1.039,539 1.514,540 1.131,541 2.94,542 1.232,543 0.745,544 0.549,545 0.56,546 0.585,547 0.755,548 0.565,549 4.5,551 1.333,552 1.25,553 0.582,554 0.354,555 0.181,556 0.075,557 0.02,559 1132,560 2490,561 1.827,562 56.3,564 17,567 1,572 1.509,573 1.663,574 2.704,575 -0.305,579 1,582 41.922,583 1.31,584 2.973,585 3.89,586 4.265,587 4.265,588 4.265,589 2.156,590 3.182,591 3.78,592 2.795,593 254.319,594 6.3,595 2009.77,597 1,600 160,601 1.689,602 3.682,603 0.321,605 0.07,606 0.078,607 0.039,608 0.032,609 0.018,610 0.019,611 0.01,613 0.588,614 0.83,615 1,616 1.876,617 53.202,618 -0.027,619 -0.291,620 0.015,621 -0.105,622 -0.159,623 -0.057,624 -0.147,625 0.341,626 0.039,627 0.204,628 0.091,629 0.161,630 -0.084,631 -0.411,632 -0.339,633 -0.412,634 -0.109,635 -0.405,636 0.07,637 0.157,638 0.23,639 0.192,640 0.124,641 0.224,642 0.019,643 -0.233,644 -0.309,645 -0.287,646 -0.251,647 -0.33,648 0.116,649 0.096,650 0.218,651 0.107,652 0.185,653 0.168,654 -0.407,655 -0.174,656 -0.457,657 -0.21,658 -0.467,659 -0.328,660 0.116,661 0.152,662 0.316,663 0.222,664 0.298,665 0.281,666 1.332,667 3.313,668 0.429,669 7.143,670 0.982,671 1.132,672 -1.269,673 1.611,674 0.623,675 2.708,676 2.996,677 2.996,678 3.178,679 3.135,680 3.045,681 2.708,682 2.708,683 1.792,684 1.386,685 3.968,686 0.569,687 192.31,688 2.708,689 4.205,690 4.963,691 5.826,692 6.603,693 7.473,694 8.255,695 9.127,696 9.911,697 10.783,698 3.1,712 1,715 4,720 2,722 6,738 1,741 32,743 7,744 1,745 14,747 32,748 12,749 6,750 2,751 4,756 1,757 1,772 8,773 4,777 1,778 1,784 1,790 1,793 18,794 1,795 1,796 2,802 1,803 1,807 1,808 1,809 1,829 1,848 1,849 1,859 1,864 2,868 14,875 1,876 2,883 1,893 3.1,895 1,901 8.417,902 6.117,903 3.167,904 1.814,907 1.246,908 1.243,909 0.855,910 3.446,911 6.37,912 2.944,913 3.418,914 3.72,915 4.214,916 4.547,917 4.432,918 4.243,919 4.498,920 3.726,921 3.726,922 1,923 16,924 5.143,925 0.002,926 1.99,927 0.026,929 7.702,931 9.934,932 0.001,933 7.613,934 0.001,936 2.202,937 30.833,938 0.007,941 200.109,942 87.338,945 42.683,948 87.338,949 242.792,951 16.793,952 19.978,953 47.381,954 42.683,955 3.186,957 200.109,959 200.109,960 87.338,961 42.683,964 200.109,965 42.683,968 4.211,969 73.65,970 9.476,972 200.109,973 42.683,974 87.338,977 200.109,978 7.397,979 64.174,981 58.45,982 200.109,983 42.683,984 87.338,986 0.57,987 0.287,988 0.152,989 0.067,990 8,991 4,992 0.125,993 4,995 1,996 2.526,997 78.673,999 6,1000 51.303,1005 10.961,1006 4.401,1007 3.66,1009 42.683,1010 7.404,1015 1.484,1017 42.683,1018 330.13,1019 18,1020 3.74,1026 1.919,1031 31.44,1032 36.237,1034 0.262,1035 0.595,1036 0.778,1037 0.853,1038 0.853,1039 0.853,1040 4.151,1041 -0.537,1042 5.017,1043 -0.838,1044 3.664,1045 4.094,1046 1.388,1047 5.82,1048 3.57,1049 5.362,1050 -1,1051 6.583,1052 -1.038,1053 3.611,1054 3.951,1055 0.931,1056 7.154,1057 3.377,1058 6.667,1059 -1,1060 8.268,1061 -2.885,1062 5.352,1063 6.147,1064 1.502,1065 9.989,1066 5.121,1067 8.002,1068 -1.382,1069 10.023,1070 -3,1071 6.019,1072 6.636,1073 1.505,1074 12.044,1075 5.627,1076 9.362,1077 -1.655,1078 11.821,1079 -3.433,1080 7.373,1081 8.449,1082 1.845,1083 14.553,1084 6.969,1085 10.739,1086 -1.903,1087 13.647,1088 -4.763,1089 8.33,1090 9.239,1091 2.008,1092 16.841,1093 7.777,1094 12.129,1095 -2,1096 15.493,1097 -5.438,1098 9.552,1099 10.865,1100 2.286,1101 19.268,1102 8.957,1103 3.216,1105 17.353,1106 -6.361,1107 10.626,1108 11.825,1109 2.509,1110 21.632,1111 9.902,1112 2.577,1113 11.044,1114 19.224,1116 11.804,1117 13.342,1118 2.773,1119 24.04,1120 11.015,1121 1.897,1122 7.276,1123 21.103,1124 3.675,1125 12.928,1126 14.41,1127 3.021,1128 26.428,1129 12.025,1130 1.199,1131 5.204,1132 22.988,1133 3.168,1134 14.093,1135 15.856,1136 3.285,1137 28.831,1138 13.111,1139 1.109,1140 2.604,1141 24.878,1142 2.467,1143 15.239,1144 16.996,1145 3.544,1146 31.228,1147 14.152,1148 -0.096,1149 1.885,1150 26.772,1151 1.739,1152 16.401,1153 18.395,1154 3.808,1155 33.63,1156 15.229,1157 -0.425,1158 -0.256,1159 28.668,1160 1.485,1161 17.558,1162 19.585,1163 4.073,1164 36.03,1165 16.286,1166 1279,1167 1942,1168 8.436,1169 19.932,1170 20.647,1171 20.101,1172 21.165,1173 20.096,1174 19.997,1175 25.068,1176 3.597,1177 56.026,1178 19.109,1179 5.085,1180 5.627,1181 6.458,1182 5.13,1183 5.216,1184 6.675,1185 2.069,1186 17.405,1187 4.946,1188 8.188,1189 1.475,1190 1.436,1191 1.512,1192 1.435,1193 1.428,1194 1.791,1195 0.257,1196 4.002,1197 1.365,1198 3.972,1199 4.021,1200 3.894,1201 3.871,1202 6.471,1203 3.871,1204 3.753,1205 3.81,1206 3.642,1207 3.582,1208 4.732,1209 3.587,1210 3.371,1211 3.447,1212 3.196,1213 3.214,1214 4.619,1215 3.201,1216 3.009,1217 3.073,1218 2.862,1219 2.846,1220 4.236,1221 2.832,1222 2.915,1223 3.009,1224 2.754,1225 2.745,1226 3.656,1227 2.745,1228 2.874,1229 2.965,1230 2.499,1231 2.618,1232 3.467,1233 2.57,1234 2.602,1235 2.732,1236 2.254,1237 2.356,1238 3.394,1239 2.313,1240 2.393,1241 2.514,1242 2.064,1243 2.157,1244 3.173,1245 2.117,1246 0.305,1247 0.259,1248 0.481,1249 0.295,1250 0.23,1251 4.266,1252 0.263,1253 3.627,1254 0.094,1255 6.741,1256 0.789,1257 4.13,1258 0.21,1259 3.216,1260 3.675,1261 1.31,1262 11.044,1263 2.946,1264 1.931,1265 1.898,1266 2.073,1267 2.084,1268 1.318,1269 2.085,1270 1.724,1271 1.659,1272 1.919,1273 1.901,1274 1.027,1275 1.909,1276 1.387,1277 1.312,1278 1.679,1279 1.582,1280 0.664,1281 1.62,1282 1.015,1283 0.945,1284 1.417,1285 1.239,1286 0.501,1287 1.308,1288 0.934,1289 0.838,1290 1.343,1291 1.235,1292 0.469,1293 1.27,1294 0.883,1295 0.804,1296 1.137,1297 1.128,1298 0.15,1299 1.13,1300 0.654,1301 0.529,1302 1.122,1303 0.955,1304 0.106,1305 1.021,1306 0.439,1307 0.322,1308 0.879,1309 0.733,1311 0.789,1312 3.367,1314 4.654,1316 6.12,1318 7.667,1320 9.25,1322 4.289,1327 9.313,1328 1.829,1335 0.854,1340 18.214,1341 41.922,1342 95.129,1343 124.49,1344 136.49,1345 136.49,1346 136.49,1347 22.621,1348 5.124,1349 20.23,1350 20.23,1351 6,1352 11.344,1353 3,1354 2.322,1355 27.895,1356 33,1357 32,1358 0.445,1359 119.03,1360 203.45,1361 282.193,1362 716,1364 10.604,1365 0.757,1366 0.64,1367 10.604,1368 8.955,1369 6.533,1370 0.467,1371 0.352,1372 4.85,1373 6.324,1374 4.623,1375 3.978,1376 6.533,1377 4.922,1378 6.256,1379 0.329,1380 0.237,1381 6.256,1382 4.504,1383 3.813,1384 0.201,1385 0.121,1386 3.813,1387 2.29,1388 3.305,1389 0.144,1390 0.073,1391 3.305,1392 1.682,1393 1.865,1394 0.085,1395 0.036,1396 1.865,1397 0.796,1398 0.666,1399 40.628,1400 0.344,1401 14.223,1402 1.292,1403 66,1404 142.483,1405 70.213,1406 144.284,1407 190.05,1408 132,1409 71,1410 134.72,1411 76.158,1412 142.199,1413 197.05,1414 130,1415 5}
{0 CHEMBL294525,1 1.439,2 10.8,3 5.937,4 35.248,5 102.232,6 6.567,7 0.407,8 4.016,9 4.152,10 3.473,11 3.55,12 5.005,13 3.494,14 4.602,15 4.802,16 3.792,17 3.966,18 5.617,19 3.871,20 4.907,21 5.174,22 3.883,23 4.1,24 5.75,25 3.982,26 4.902,27 5.16,28 3.838,29 4.062,30 5.811,31 3.946,32 4.852,33 5.106,34 3.759,35 4.044,36 5.753,37 3.912,38 4.856,39 5.119,40 3.654,41 4.035,42 5.627,43 3.871,44 4.873,45 5.158,46 3.589,47 3.946,48 5.689,49 3.775,50 4.781,51 5.065,52 3.438,53 3.787,54 5.653,55 3.634,56 0.141,57 0.751,58 12.224,59 5.095,60 8.428,61 7.238,62 0.202,63 1.221,64 22.417,65 8.788,66 40.872,67 12.794,68 0.212,69 1.517,70 30.997,71 10.788,72 32.29,73 16.49,74 0.343,75 1.491,76 31.324,77 10.315,78 43.181,79 15.62,80 0.355,81 1.423,82 29.58,83 10.175,84 44.647,85 15.372,86 0.204,87 1.399,88 29.241,89 11.071,90 23.681,91 16.328,92 0.32,93 1.339,94 30.254,95 10.512,96 35.512,97 15.912,98 0.327,99 1.159,100 28.135,101 8.909,102 41.701,103 13.384,104 20,105 36,106 0.242,107 0.509,108 0.695,109 0.829,110 0.873,111 0.873,112 3.267,113 1.06,114 -5.08,115 -4.98,116 -4.67,121 38.5,122 1,123 9,127 1,144 3,145 2,146 2,148 2,168 2,176 11,179 1,180 6,185 3,187 12,192 8,197 3,200 8,205 1,206 5,209 1,211 5,214 10,218 2,219 2,224 2,227 11,232 3,235 1,237 1,239 12,244 7,247 2,249 1,251 10,256 7,264 9,269 6,277 9,281 1042,282 17.181,283 17.181,284 17.181,285 17.181,286 17.181,287 15.617,288 16.736,289 10.637,290 17.349,291 13.336,292 13.336,293 13.336,294 13.336,295 13.336,296 10.844,297 17.551,298 5.045,299 13.605,300 4.261,301 2.677,302 1.569,303 0.774,304 0.515,305 0.515,306 3.954,312 1,313 569,314 3.606,318 157.391,322 179.013,325 1.504,326 22.519,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 53.5,338 270,339 4.66,340 3.781,341 6.835,342 4.221,343 3.241,344 4.596,345 2.612,346 11.372,347 3.175,348 4.209,349 3.358,350 6.077,351 3.734,352 2.759,353 3.852,354 0.4,355 8.747,356 2.691,357 3.824,358 2.679,359 5.818,360 3.386,361 2.405,362 3.315,364 7.787,365 2.357,366 3.506,367 2.375,368 5.353,369 3.088,370 2.136,371 2.875,373 6.586,374 2.03,375 2.959,376 1.888,377 4.14,378 2.839,379 1.844,380 2.103,382 3.735,383 1.834,384 2.864,385 1.859,386 3.985,387 2.487,388 1.505,389 1.87,391 3.396,392 1.477,393 2.644,394 1.624,395 3.817,396 2.418,397 1.426,398 1.67,400 3.257,401 1.414,402 2.495,403 1.429,404 3.734,405 2.265,406 1.272,407 1.495,409 2.9,410 1.262,411 2.454,412 1.415,413 3.591,414 2.212,415 1.214,416 1.452,418 2.869,419 1.211,420 2.076,421 1.133,422 3.326,423 1.978,424 1,425 1.056,427 2.155,428 0.976,429 1.774,430 1,431 2.976,432 1.628,433 0.64,434 0.706,436 1.275,437 0.632,438 1.374,439 0.74,440 2.739,441 1.159,442 0.189,443 0.211,445 0.379,446 0.183,447 1.061,448 0.259,449 2.511,450 0.805,451 -0.164,452 -0.189,454 -0.357,455 -0.159,456 1,457 -0.043,458 2.313,459 0.62,460 -0.363,461 -0.476,463 -0.919,464 -0.357,465 0.976,466 -0.237,467 2.19,468 0.371,469 -0.613,470 -0.668,472 -1.256,473 -0.603,474 11.867,475 0.475,476 0.469,477 0.019,478 28.75,479 1.15,480 13.5,481 0.54,482 15.25,483 0.61,484 24.002,485 0.96,486 28.333,487 0.545,488 18.547,489 0.742,490 4.696,491 0.188,492 7.506,493 0.3,494 0.098,496 0.287,501 0.398,502 1.25,503 0.892,504 1.139,505 0.457,506 1.088,507 0.475,508 1.285,509 0.912,510 1.183,511 0.315,512 1.114,513 0.606,514 1.075,515 0.779,516 0.944,517 0.391,518 0.884,519 0.959,520 1,521 0.963,522 0.952,523 0.828,524 0.95,525 0.77,526 1.011,527 1.013,528 1.013,529 0.629,530 1.031,531 0.529,532 1.098,533 0.978,534 1.167,535 0.458,536 1.133,537 0.575,538 1.032,539 0.904,540 1.063,541 0.551,542 1.028,543 1.279,544 0.88,545 1.022,546 0.92,547 1.311,548 0.933,549 3.5,550 0.095,551 2.444,552 1.5,553 1.471,554 0.646,555 0.544,556 0.358,557 0.201,558 0.148,559 6727,560 14674,561 2.062,562 51.9,563 17,564 5,567 1,568 2,569 2,572 1.683,573 1.948,574 3.333,575 -0.356,582 74.847,583 1.439,584 3.023,585 4.132,586 4.926,587 5.186,588 5.186,589 2.828,590 4.564,591 4.601,592 3.514,593 1054.29,594 7.982,595 12739.4,600 296.423,601 1.323,602 4.583,603 0.13,604 0.007,605 0.068,606 0.038,607 0.041,608 0.02,609 0.019,610 0.014,611 0.009,612 0.008,613 0.353,614 0.17,615 1,616 1.959,617 120.514,618 0.26,619 0.04,620 0.059,621 0.048,622 0.057,623 0.024,624 0.175,625 -0.151,626 0.03,627 -0.076,628 0.256,629 -0.046,630 0.051,631 -0.052,632 0.172,633 0.058,634 0.102,635 0.121,636 -0.018,637 0.039,638 0.023,639 0.021,640 -0.009,641 0.025,642 0.044,643 0.039,644 -0.046,645 -0.015,646 0.049,647 -0.037,648 0.05,649 -0.096,650 -0.047,651 -0.138,652 0.024,653 -0.109,654 0.157,655 -0.082,656 0.047,657 -0.088,658 0.091,659 -0.041,660 -0.108,661 0.041,662 -0.02,663 0.01,664 -0.094,665 0.012,666 2.346,667 4.078,668 0.56,669 26.176,670 0.992,671 1.133,672 3.853,673 14.846,674 0.636,675 3.332,676 3.611,677 3.892,678 4.174,679 4.477,680 4.615,681 4.796,682 4.913,683 5.004,684 4.875,685 6.147,686 0.593,687 341.5,688 3.332,689 4.844,690 5.687,691 6.558,692 7.434,693 8.324,694 9.216,695 10.116,696 11.017,697 11.923,698 5.8,703 1,708 1,709 1,714 2,715 3,716 1,720 4,722 11,734 1,735 1,741 52,743 13,744 1,745 27,747 54,748 20,749 9,750 3,751 3,756 3,757 6,763 1,767 4,770 9,772 9,773 11,777 2,779 1,782 2,793 27,794 4,795 1,796 5,802 3,808 0.333,809 2,822 1,829 3,833 2,859 1,864 1,868 25,876 10,877 1,893 3.8,899 2,901 12.833,902 9.483,903 5.722,904 3.849,907 2.579,908 1.353,909 0.964,910 6.118,911 9.89,912 3.57,913 4.151,914 4.745,915 5.367,916 6.021,917 6.468,918 6.939,919 7.299,920 7.659,921 7.604,922 1,923 39,924 9.304,926 3.902,927 0.026,929 7.68,931 18.314,933 15.249,936 2.18,937 54.5,941 306.049,942 78.343,943 40.466,945 50.747,948 78.343,949 356.796,950 40.466,951 14.495,952 24.916,953 28.429,954 34.796,955 16.173,957 306.049,958 50.747,959 306.049,960 118.81,961 50.747,964 282.506,965 23.542,966 50.747,968 38.643,969 39.701,970 40.466,972 306.049,973 91.213,974 78.343,977 306.049,978 41.089,979 42.924,980 18.011,981 67.532,982 306.049,983 91.213,984 78.343,986 0.56,987 0.323,988 0.176,989 0.103,990 16,991 7,992 0.148,993 8,994 2,995 1.286,996 3.706,997 202.385,998 0.286,999 14,1000 114.096,1005 17.975,1006 8.509,1007 4.231,1008 1.753,1009 85.543,1010 5.053,1011 4.744,1015 3.709,1017 18.011,1018 475.605,1019 34.5,1021 -0.346,1024 22.155,1031 51.563,1032 58.896,1034 0.253,1035 0.53,1036 0.725,1037 0.864,1038 0.91,1039 0.91,1040 4.785,1041 1.272,1042 5.645,1043 3.257,1044 4.29,1045 4.836,1046 2.527,1047 6.454,1048 4.249,1049 5.972,1050 1.214,1051 7.195,1052 2.9,1053 3.761,1054 4.783,1055 2.361,1056 7.383,1057 3.689,1058 7.284,1059 1,1060 8.858,1061 2.869,1062 5.855,1063 7.105,1064 4.155,1065 10.534,1066 5.768,1067 8.642,1068 0.64,1069 10.589,1070 2.155,1071 6.217,1072 7.929,1073 4.506,1074 12.341,1075 6.099,1076 10.041,1077 0.189,1078 12.366,1079 1.275,1080 7.743,1081 9.739,1082 5.948,1083 15.004,1084 7.612,1085 11.467,1086 -0.164,1087 14.173,1088 0.379,1089 8.534,1090 10.936,1091 6.556,1092 17.162,1093 8.376,1094 12.913,1095 -0.363,1096 16.001,1097 -0.357,1098 9.828,1099 12.559,1100 7.794,1101 19.666,1102 9.656,1103 3.241,1104 -0.613,1105 17.845,1106 -0.919,1107 10.822,1108 13.925,1109 8.548,1110 21.975,1111 10.626,1112 2.759,1113 11.372,1114 19.7,1115 -1.256,1116 12.027,1117 15.478,1118 9.67,1119 24.426,1120 11.814,1121 2.405,1122 8.747,1123 21.564,1124 4.596,1125 13.114,1126 16.922,1127 10.509,1128 26.801,1129 12.879,1130 2.136,1131 7.787,1132 23.435,1133 3.852,1134 14.287,1135 18.449,1136 11.563,1137 29.235,1138 14.034,1139 1.844,1140 6.586,1141 25.313,1142 3.315,1143 15.417,1144 19.931,1145 12.452,1146 31.64,1147 15.143,1148 1.505,1149 3.735,1150 27.196,1151 2.875,1152 16.582,1153 21.45,1154 13.468,1155 34.07,1156 16.289,1157 1.426,1158 3.396,1159 29.084,1160 2.103,1161 17.732,1162 22.951,1163 14.386,1164 36.488,1165 17.418,1166 6724,1167 10249,1168 18.087,1169 33.063,1170 39.012,1171 40.762,1172 40.783,1173 39.274,1174 39.26,1175 50.401,1176 6.025,1177 108.918,1178 38.482,1179 5.609,1180 5.781,1181 6.798,1182 5.262,1183 5.241,1184 7.596,1185 4.612,1186 18.914,1187 5.175,1188 11.535,1189 1.445,1190 1.51,1191 1.51,1192 1.455,1193 1.454,1194 1.867,1195 0.223,1196 4.034,1197 1.425,1198 4.136,1199 4.164,1200 4.103,1201 4.049,1202 7.815,1203 4.057,1204 3.82,1205 3.861,1206 3.764,1207 3.674,1208 6.999,1209 3.674,1210 3.761,1211 3.827,1212 3.593,1213 3.637,1214 4.95,1215 3.617,1216 3.573,1217 3.639,1218 3.469,1219 3.38,1220 4.357,1221 3.372,1222 3.492,1223 3.545,1224 3.333,1225 3.231,1226 4.269,1227 3.258,1228 3.224,1229 3.311,1230 3.058,1231 2.992,1232 4.146,1233 2.996,1234 3.122,1235 3.193,1236 3.002,1237 2.925,1238 3.973,1239 2.93,1240 3.059,1241 3.133,1242 2.84,1243 2.843,1244 3.851,1245 2.856,1246 0.173,1247 0.14,1248 0.253,1249 0.156,1250 0.12,1251 4.66,1252 0.17,1253 3.781,1254 0.097,1255 6.835,1256 0.421,1257 4.221,1258 0.118,1259 3.241,1260 4.596,1261 2.612,1262 11.372,1263 3.175,1264 2.079,1265 2.054,1266 2.157,1267 2.188,1268 1.438,1269 2.175,1270 1.781,1271 1.733,1272 2.036,1273 1.967,1274 1.377,1275 1.979,1276 1.771,1277 1.713,1278 1.948,1279 1.938,1280 1.168,1281 1.94,1282 1.555,1283 1.48,1284 1.846,1285 1.773,1286 1.108,1287 1.797,1288 1.366,1289 1.319,1290 1.584,1291 1.683,1292 0.791,1293 1.63,1294 1.186,1295 1.102,1296 1.459,1297 1.47,1298 0.746,1299 1.487,1300 1.119,1301 1.038,1302 1.431,1303 1.336,1304 0.615,1305 1.379,1306 1.007,1307 0.957,1308 1.23,1309 1.268,1310 0.418,1311 1.272,1312 4.007,1314 5.293,1316 6.797,1318 8.418,1320 10.109,1322 2.229,1328 11.572,1329 3.632,1340 30.815,1341 74.847,1342 157.22,1343 214.855,1344 256.158,1345 269.668,1346 269.668,1347 47.013,1348 7.312,1349 70.74,1350 70.74,1351 18,1352 12.443,1353 3.807,1354 3.087,1355 41.69,1356 86,1357 128,1358 0.231,1359 191.248,1360 330.42,1361 458.405,1362 14057,1364 17.648,1365 0.706,1366 0.601,1367 17.648,1368 15.014,1369 12.203,1370 0.452,1371 0.353,1372 9.463,1373 11.825,1374 9.264,1375 7.75,1376 12.203,1377 9.542,1378 10.405,1379 0.289,1380 0.192,1381 10.405,1382 6.919,1383 8.589,1384 0.179,1385 0.105,1386 8.589,1387 5.039,1388 7.151,1389 0.112,1390 0.057,1391 7.151,1392 3.671,1393 6.13,1394 0.07,1395 0.031,1396 6.13,1397 2.734,1398 0.359,1399 75.977,1400 0.235,1401 24.288,1402 0.646,1403 126,1404 335.094,1405 135.951,1406 325.483,1407 443.36,1408 302,1409 147,1410 334.872,1411 157.149,1412 333.411,1413 486.49,1414 315,1415 6.538}
{0 CHEMBL294674,1 1.31,2 5.571,3 1.338,4 1.789,5 57.703,6 6.01,7 0.429,8 3.503,9 3.647,10 2.864,11 2.976,12 4.554,13 2.913,14 4.02,15 4.25,16 3.193,17 3.345,18 4.918,19 3.269,20 4.277,21 4.472,22 3.264,23 3.578,24 5.244,25 3.442,26 4.579,27 4.885,28 3.235,29 3.619,30 5.419,31 3.451,32 4.434,33 4.674,34 2.837,35 3.538,36 5.412,37 3.318,38 4.406,39 4.788,40 2.419,41 3.21,42 5.07,43 2.896,44 3.605,45 3.908,46 1.626,47 2.503,48 4.507,49 2.232,50 3.04,51 3.445,52 0.528,53 1.765,54 3.434,55 1.357,56 0.047,57 0.427,58 7.875,59 2.94,60 8.916,61 4.343,62 0.113,63 0.663,64 13.026,65 4.373,66 9.997,67 6.752,68 0.15,69 0.839,70 16.838,71 6.438,72 18.485,73 9.412,74 0.206,75 0.949,76 21.78,77 7.509,78 30.332,79 11.306,80 0.199,81 0.832,82 19.193,83 7.288,84 41.72,85 10.334,86 0.123,87 0.678,88 17.018,89 6.438,90 31.418,91 9.621,92 0.104,93 0.307,94 8.019,95 2.803,96 22.097,97 4.049,98 0.03,99 0.155,100 4.055,101 1.519,102 6.508,103 2.325,104 29,105 20,106 0.253,107 0.583,108 0.748,109 0.796,110 0.808,111 0.808,112 2.733,113 1.042,114 -0.23,115 -0.37,116 -0.54,121 37.5,122 1,126 2,127 1,136 1,138 1,144 4,146 2,176 5,185 1,187 3,189 2,197 2,199 1,200 1,203 4,211 1,214 1,216 1,224 1,227 4,237 2,239 5,251 2,281 180,282 8.577,283 8.577,284 8.577,285 8.577,286 8.577,287 7.604,288 10.051,289 5.04,290 8.733,291 6.893,292 6.893,293 6.893,294 6.893,295 6.893,296 5.511,297 12.857,298 2.354,299 7.195,300 3.69,301 1.986,302 1.133,303 0.883,304 0.821,305 0.821,306 3.331,311 1,312 1,313 149,314 3.317,318 48.356,325 0.857,326 9.461,329 1,330 0.83,331 0.83,332 0.9,333 1,334 1,335 1,336 0.94,337 29.5,338 78,339 4.569,340 3.781,341 7.398,342 4.354,343 3.431,344 3.994,345 1.285,346 12.863,347 3.168,348 3.735,349 2.717,350 5.607,351 3.375,352 2.414,353 2.995,354 0.704,355 7.16,356 2.318,357 3.355,358 2.41,359 4.608,360 2.965,361 1.981,362 2.498,364 4.772,365 1.943,366 2.862,367 1.53,368 4,369 2.392,370 1.414,371 2.017,373 3.18,374 1.378,375 2.583,376 1.221,377 3.596,378 2.135,379 1.15,380 1.611,382 2.822,383 1.132,384 1.084,385 0.191,386 2.935,387 0.73,388 -0.196,389 -0.234,391 -0.445,392 -0.18,393 0.842,394 0.058,395 2.537,396 0.534,397 -0.414,398 -0.446,400 -1.142,401 -0.391,402 0.599,403 -0.6,404 2,405 0.138,406 -0.844,407 -1,409 -2,410 -0.825,411 0.324,412 -0.706,413 2,415 -1,416 -1.154,418 -2.065,419 -0.9,421 -0.74,422 1.645,423 -0.1,424 -1,425 -1.363,427 -3,428 -1,429 -0.107,430 -1.215,431 1.302,432 -0.482,433 -1.414,434 -1.852,435 -0.266,436 -3.459,437 -1.323,438 -0.5,439 -1.244,440 1.055,441 -0.696,442 -1.638,443 -1.897,444 -0.4,445 -5.279,446 -1.548,447 -0.541,448 -1.584,449 1,450 -0.945,451 -1.883,452 -2.168,453 -0.4,454 -5.701,455 -1.772,456 -0.806,457 -2,458 0.317,459 -1,460 -2,461 -3,462 -0.923,463 -7.704,464 -2,474 6.733,475 0.481,476 0.568,477 0.041,478 15.75,479 1.125,480 7.5,481 0.536,482 8.25,483 0.589,484 10.279,485 0.734,486 16.367,487 0.511,488 10.698,489 0.764,490 3.364,491 0.24,492 3.069,493 0.219,494 0.347,495 0.059,496 0.223,501 1.095,502 1.573,503 1.072,504 1.282,505 1.143,506 1.19,507 1.113,508 0.892,509 0.898,510 0.771,511 0.511,512 0.78,513 0.824,514 1.573,515 1.287,516 1.517,517 0.964,518 1.459,519 1.043,520 0.746,521 0.833,522 0.761,523 0.788,524 0.765,525 1.661,526 1.264,527 1.524,528 1.38,529 1.987,530 1.446,531 0.29,532 0.62,533 0.535,534 0.667,535 0.311,536 0.634,537 1.824,538 0.894,539 1.274,540 0.983,541 2.203,542 1.082,543 0.091,544 0.619,545 0.571,546 0.678,547 0.245,548 0.675,549 4.5,551 2.222,552 1.75,553 0.52,554 0.438,555 0.082,556 0.056,559 1016,560 2186,561 1.79,562 56.3,563 3,564 14,567 1,572 1.515,573 1.6,574 2.504,575 -0.305,579 1,582 41.922,583 1.31,584 3.014,585 3.867,586 4.117,587 4.179,588 4.179,589 1.924,590 3.093,591 3.78,592 2.595,593 236.176,594 6.33,595 1854.75,597 1,600 160,601 1.809,602 3.655,603 0.321,605 0.111,606 0.092,607 0.027,608 0.044,609 0.012,610 0.028,613 0.635,614 1,615 1,616 1.618,617 52.009,618 -0.027,619 -0.291,620 0.015,621 -0.105,622 -0.191,623 -0.057,624 -0.079,625 0.302,626 0.155,627 0.248,628 0.108,629 0.236,630 0.094,631 -0.421,632 -0.268,633 -0.412,634 -0.091,635 -0.385,636 -0.018,637 0.194,638 0.135,639 0.153,640 0.124,641 0.164,642 -0.297,643 -0.289,644 -0.522,645 -0.365,646 -0.401,647 -0.457,648 0.17,649 0.127,650 0.311,651 0.187,652 0.262,653 0.254,654 -0.283,655 -0.08,656 -0.3,657 -0.094,658 -0.389,659 -0.191,660 0.157,661 0.064,662 0.229,663 0.125,664 0.099,665 0.176,666 1.321,667 3.714,668 0.429,669 6.571,670 0.982,671 1.132,672 -1.001,673 1.003,674 0.623,675 2.708,676 3.045,677 3.135,678 3.332,679 3.178,680 2.944,681 2.639,682 2.303,683 1.792,684 1.099,685 3.584,686 0.569,687 192.31,688 2.708,689 4.234,690 5.03,691 5.922,692 6.742,693 7.639,694 8.468,695 9.366,696 10.199,697 11.097,698 3.1,712 1,715 4,720 2,722 6,738 1,741 32,743 7,744 1,745 14,747 32,748 12,749 6,750 2,751 4,756 1,757 1,763 1,772 8,773 4,777 1,778 1,786 1,790 1,793 18,794 1,795 1,796 2,802 1,803 1,807 1,808 1,809 1,829 1,848 1,850 1,859 1,864 3,868 14,875 1,876 1,883 1,893 3.1,895 1,901 8.75,902 6.533,903 3.069,904 1.8,907 1.27,908 1.248,909 0.855,910 3.09,911 6.394,912 2.944,913 3.481,914 3.845,915 4.316,916 4.626,917 4.46,918 4.437,919 4.239,920 3.992,921 3.169,922 0.75,923 19,924 5.148,925 0.002,926 2.012,927 0.026,929 7.714,931 9.892,932 0.001,933 7.593,934 0.001,936 2.214,937 31,938 0.006,941 200.109,942 87.338,945 42.683,948 87.338,949 242.792,951 25.618,952 17.873,953 37.905,954 42.683,955 5.942,957 200.109,959 200.109,960 87.338,961 42.683,964 200.109,965 42.683,968 10.931,969 76.407,972 200.109,973 42.683,974 87.338,977 200.109,978 8.048,979 63.523,981 58.45,982 200.109,983 42.683,984 87.338,986 0.59,987 0.312,988 0.171,989 0.069,990 9,991 5,992 0.094,993 3,995 1,996 2.419,997 82.265,999 6,1000 51.303,1005 10.961,1006 3.947,1007 2.684,1009 42.683,1010 7.43,1015 1.272,1017 42.683,1018 330.13,1019 18,1020 3.898,1028 1.109,1031 31.44,1032 36.237,1034 0.262,1035 0.603,1036 0.773,1037 0.823,1038 0.836,1039 0.836,1040 4.182,1041 -0.844,1042 5.118,1043 -1.142,1044 3.714,1045 4.159,1046 1.479,1047 6.014,1048 3.62,1049 5.43,1050 -1,1051 6.753,1052 -2,1053 3.761,1054 4.159,1055 0.931,1056 7.486,1057 3.547,1058 6.771,1059 -1,1060 8.521,1061 -2.065,1062 5.468,1063 6.277,1064 1.558,1065 10.5,1066 5.23,1067 8.147,1068 -1.414,1069 10.368,1070 -3,1071 6.256,1072 6.961,1073 1.381,1074 12.724,1075 5.878,1076 9.553,1077 -1.638,1078 12.264,1079 -3.459,1080 7.62,1081 8.706,1082 1.831,1083 15.414,1084 7.204,1085 10.983,1086 -1.883,1087 14.193,1088 -5.279,1089 8.691,1090 9.715,1091 1.838,1092 17.865,1093 8.151,1094 12.431,1095 -2,1096 16.143,1097 -5.701,1098 9.957,1099 11.295,1100 2.198,1101 20.463,1102 9.358,1103 3.431,1105 18.108,1106 -7.704,1107 11.131,1108 12.473,1109 2.311,1110 22.983,1111 10.426,1112 2.414,1113 12.863,1114 20.084,1116 12.369,1117 13.968,1118 2.619,1119 25.553,1120 11.594,1121 1.981,1122 7.16,1123 22.066,1124 3.994,1125 13.58,1126 15.237,1127 2.793,1128 28.096,1129 12.712,1130 1.414,1131 4.772,1132 24.054,1133 2.995,1134 14.812,1135 16.684,1136 3.072,1137 30.655,1138 13.868,1139 1.15,1140 3.18,1141 26.045,1142 2.498,1143 16.036,1144 18.004,1145 3.281,1146 33.205,1147 15.006,1148 -0.196,1149 2.822,1150 28.039,1151 2.017,1152 17.268,1153 19.425,1154 3.546,1155 35.762,1156 16.159,1157 -0.414,1158 -0.445,1159 30.035,1160 1.611,1161 18.497,1162 20.773,1163 3.773,1164 38.315,1165 17.305,1166 1174,1167 1763,1168 8.148,1169 19.932,1170 21.352,1171 20.592,1172 22.002,1173 20.872,1174 20.781,1175 26.23,1176 3.978,1177 61.591,1178 19.875,1179 5.375,1180 5.781,1181 7.081,1182 5.354,1183 5.431,1184 6.994,1185 2.208,1186 20.566,1187 5.168,1188 8.81,1189 1.525,1190 1.471,1191 1.572,1192 1.491,1193 1.484,1194 1.874,1195 0.284,1196 4.399,1197 1.42,1198 3.994,1199 4.042,1200 3.927,1201 3.875,1202 6.469,1203 3.882,1204 3.693,1205 3.744,1206 3.577,1207 3.58,1208 4.728,1209 3.571,1210 3.428,1211 3.512,1212 3.256,1213 3.236,1214 4.616,1215 3.231,1216 2.941,1217 3.009,1218 2.821,1219 2.746,1220 4.187,1221 2.751,1222 2.874,1223 2.974,1224 2.576,1225 2.618,1226 3.569,1227 2.591,1228 2.782,1229 2.912,1230 2.499,1231 2.605,1232 3.564,1233 2.57,1234 2.749,1235 2.824,1236 2.413,1237 2.528,1238 3.467,1239 2.481,1240 2.584,1241 2.71,1242 2.233,1243 2.335,1244 3.247,1245 2.292,1246 0.326,1247 0.27,1248 0.528,1249 0.311,1250 0.245,1251 4.569,1252 0.285,1253 3.781,1254 0.092,1255 7.398,1256 0.919,1257 4.354,1258 0.226,1259 3.431,1260 3.994,1261 1.285,1262 12.863,1263 3.168,1264 1.939,1265 1.903,1266 2.071,1267 2.098,1268 1.283,1269 2.093,1270 1.696,1271 1.645,1272 1.894,1273 1.837,1274 0.966,1275 1.858,1276 1.427,1277 1.342,1278 1.728,1279 1.65,1280 0.782,1281 1.683,1282 0.934,1283 0.84,1284 1.417,1285 1.239,1286 0.469,1287 1.308,1288 0.883,1289 0.804,1290 1.309,1291 1.149,1292 0.413,1293 1.203,1294 0.838,1295 0.715,1296 1.15,1297 1.135,1298 0.179,1299 1.132,1300 0.76,1301 0.693,1302 1.135,1303 0.993,1304 0.067,1305 1.047,1306 0.631,1307 0.51,1308 0.993,1309 0.921,1310 0.003,1311 0.964,1312 3.367,1314 4.691,1316 6.209,1318 7.821,1320 9.483,1322 6.119,1327 9.714,1328 0.831,1335 0.627,1340 18.214,1341 41.922,1342 96.436,1343 123.735,1344 131.735,1345 133.735,1346 133.735,1347 24.513,1348 5.124,1349 20.23,1350 20.23,1351 6,1352 11.633,1353 3,1354 2.322,1355 27.657,1356 29,1357 26,1358 0.507,1359 119.03,1360 203.45,1361 282.193,1362 679,1364 10.768,1365 0.769,1366 0.655,1367 10.768,1368 9.171,1369 6.432,1370 0.459,1371 0.347,1372 4.793,1373 6.234,1374 4.509,1375 3.898,1376 6.432,1377 4.862,1378 6.455,1379 0.323,1380 0.227,1381 6.455,1382 4.535,1383 4.05,1384 0.184,1385 0.108,1386 4.05,1387 2.377,1388 3.681,1389 0.136,1390 0.07,1391 3.681,1392 1.896,1393 1.873,1394 0.081,1395 0.032,1396 1.873,1397 0.745,1398 0.73,1399 39.993,1400 0.35,1401 13.882,1402 1.589,1403 68,1404 146.483,1405 72.546,1406 148.939,1407 198.28,1408 136,1409 76,1410 144.284,1411 82.045,1412 152.389,1413 213.37,1414 139,1415 5}
{0 CHEMBL294891,1 1.727,2 6.857,3 2.74,4 7.506,5 74.225,6 8.231,7 0.261,8 3.711,9 3.824,10 3.328,11 3.239,12 4.909,13 3.246,14 4.296,15 4.446,16 3.877,17 3.692,18 6.005,19 3.689,20 4.569,21 4.744,22 3.94,23 3.93,24 5.761,25 3.897,26 4.787,27 4.998,28 3.914,29 3.969,30 5.976,31 3.913,32 4.826,33 5.073,34 3.832,35 3.834,36 6.161,37 3.765,38 4.678,39 4.979,40 3.509,41 3.417,42 6.019,43 3.372,44 4.055,45 4.284,46 3.164,47 2.728,48 5.763,49 2.816,50 3.648,51 3.934,52 2.361,53 2.041,54 5.194,55 2.145,56 0.161,57 0.75,58 6.326,59 3.607,60 37.721,61 3.944,62 0.791,63 1.557,64 13.857,65 6.419,66 146.86,67 7.48,68 0.416,69 1.523,70 17.63,71 8.153,72 71.772,73 10.037,74 0.822,75 1.729,76 25.662,77 9.866,78 160.174,79 11.71,80 0.947,81 1.733,82 29.088,83 9.597,84 171.414,85 12.368,86 1.099,87 1.358,88 31.246,89 8.539,90 179.241,91 10.452,92 0.767,93 0.895,94 15.108,95 3.747,96 106.487,97 3.544,98 0.628,99 0.521,100 12.311,101 2.723,102 111.265,103 2.074,104 41,105 37,106 0.318,107 0.713,108 0.832,109 0.873,110 0.873,111 0.873,112 3.106,113 0.872,114 -4.31,115 -4.24,116 -4,121 41.7,122 1,123 2,124 1,132 1,134 1,137 2,138 2,144 2,145 1,148 1,149 1,165 1,166 1,167 1,176 9,180 3,183 1,185 4,187 12,189 3,192 2,197 5,200 13,203 4,206 3,208 1,209 1,211 6,214 13,216 4,219 2,224 1,227 6,232 1,236 1,237 3,238 1,239 2,249 2,261 1,281 491,282 13.339,283 13.339,284 13.339,285 13.339,286 13.339,287 12.022,288 16.034,289 7.272,290 13.712,291 11.271,292 11.271,293 11.271,294 11.271,295 11.271,296 9.415,297 19.457,298 3.342,299 11.984,300 3.443,301 1.299,302 0.653,303 0.431,304 0.431,305 0.431,306 3.772,310 1,311 1,312 1,313 301,314 3.606,318 119.82,320 50.867,322 67.897,324 81.576,325 1.197,326 44.315,328 1,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 48.5,338 144,339 4.825,340 4.49,341 7.928,342 4.662,343 3.681,344 4.205,345 3.847,346 14.942,347 3.617,348 4.378,349 4.068,350 7.102,351 4.112,352 3.259,353 3.652,354 1.345,355 11.632,356 2.798,357 3.995,358 2.885,359 6.171,360 3.577,361 2.625,362 3.375,363 0.639,364 8.654,365 2.492,366 3.561,367 2.825,368 5.811,369 3.405,370 2.416,371 2.749,372 0.317,373 7.978,374 2.382,375 3.327,376 2.33,377 4.95,378 2.95,379 2.004,380 2.494,382 5.649,383 1.885,384 3.034,385 2.213,386 4.786,387 2.56,388 1.63,389 2.049,391 4.969,392 1.472,393 2.665,394 1.416,395 4.286,396 2.229,397 1.254,398 1.723,400 3.446,401 1.219,402 2.249,403 1.313,404 3.893,405 1.884,406 0.908,407 1.096,409 2.109,410 0.88,411 1.358,412 0.51,413 3.271,414 1.116,415 0.128,416 0.149,418 0.358,419 0.126,420 0.987,421 0.51,422 2.996,423 0.823,424 -0.151,425 -0.159,427 -0.261,428 -0.146,429 0.823,430 0.471,431 2.833,432 0.586,433 -0.348,434 -0.399,436 -0.883,437 -0.323,438 0.683,439 0.341,440 2.572,441 0.351,442 -0.612,443 -0.707,445 -1.856,446 -0.588,447 0.244,448 0.064,449 2.371,450 -0.032,451 -1,452 -1,454 -3,455 -0.7,457 -0.24,458 2.294,459 -0.274,460 -1,461 -1,463 -3,464 -0.7,466 -0.64,467 2,468 -0.3,469 -1,470 -1.136,472 -3.193,473 -0.962,474 9.49,475 0.452,476 0.919,477 0.044,478 21.75,479 1.036,480 8.5,481 0.405,482 13.25,483 0.631,484 20.561,485 0.979,486 24.11,487 0.67,488 17.449,489 0.831,490 4.201,491 0.2,492 5.552,493 0.264,494 0.22,495 0.105,496 0.316,498 3,501 0.632,502 0.88,503 0.685,504 0.956,505 0.692,506 0.879,507 0.322,508 0.722,509 0.562,510 0.949,511 0.324,512 0.901,513 0.527,514 0.883,515 0.792,516 1.111,517 0.493,518 1.085,519 0.888,520 0.998,521 1.109,522 1.155,523 0.916,524 1.21,525 0.786,526 0.954,527 1.017,528 1.151,529 0.786,530 1.181,531 1.233,532 1.047,533 0.924,534 0.806,535 1.214,536 0.744,537 1.924,538 1.347,539 1.416,540 1.011,541 1.896,542 0.994,543 2.865,544 1.566,545 1.818,546 0.657,547 2.904,548 0.695,549 7.5,551 4,552 2.5,553 2.231,554 1.319,555 0.629,556 0.2,557 0.135,559 3361,560 12902,561 1.968,562 41.7,563 4,564 4,567 3,568 2,569 2,572 1.642,573 1.75,574 2.762,575 1.109,576 1,577 1,579 1,582 62.156,583 1.727,584 3.871,585 4.517,586 4.739,587 4.739,588 4.739,589 2.284,590 3.975,591 4.361,592 2.89,593 606.875,594 7.528,595 6037.26,596 1,597 1,598 1,599 1,600 186.117,601 1.884,602 4.251,603 0.326,605 0.108,606 0.061,607 0.06,608 0.044,609 0.03,610 0.015,611 0.027,613 0.672,614 0.83,615 1,616 1.049,617 90.601,618 -0.073,619 0.047,620 -0.014,621 0.133,622 -0.127,623 0.106,624 0.429,625 0.3,626 0.228,627 0.124,628 0.439,629 0.091,630 -0.018,631 -0.087,632 -0.038,633 -0.095,634 0.009,635 -0.08,636 -0.117,637 -0.079,638 -0.229,639 -0.166,640 -0.138,641 -0.224,642 0.013,643 -0.12,644 -0.058,645 -0.223,646 0.004,647 -0.194,648 -0.09,649 -0.116,650 0.246,651 0.119,652 -0.074,653 0.277,654 -0.227,655 -0.079,656 -0.206,657 -0.124,658 -0.216,659 -0.16,660 -0.645,661 0.051,662 -0.364,663 0.277,664 -0.64,665 0.171,666 5.621,667 5.091,668 0.619,669 13.828,670 1.032,671 1.154,672 3.076,673 9.463,674 0.649,675 3.178,676 3.638,677 3.932,678 4.263,679 4.595,680 4.796,681 4.92,682 4.927,683 4.963,684 4.745,685 4.275,686 0.642,687 296.32,688 3.178,689 4.796,690 5.687,691 6.642,692 7.564,693 8.522,694 9.455,695 10.413,696 11.352,697 12.31,698 5.6,699 1,708 1,715 2,716 1,720 3,722 6,738 1,741 36,743 8,745 23,747 38,748 15,749 5,756 3,757 6,763 2,767 2,768 2,769 1,770 2,772 9,773 6,774 2,777 2,784 2,786 2,789 1,790 1,791 3,793 15,794 6,795 3,796 6,802 2,808 0.333,809 1,822 1,829 3,831 1,833 1,835 1,849 2,850 2,851 1,859 1,864 1,866 3,868 21,869 1,875 1,876 2,880 1,882 2,892 3,893 2.8,895 1,901 12,902 6.579,903 4.347,904 2.104,907 1.769,908 1.251,909 0.945,910 3.016,911 8.828,912 3.367,913 3.998,914 4.525,915 5.036,916 5.578,917 5.909,918 6.212,919 6.478,920 6.747,921 6.824,922 0.8,923 41,924 8.265,926 4.184,927 0.026,929 8.46,931 14.243,933 12.461,936 2.96,937 62.167,941 141.253,942 71.872,943 49.683,945 42.683,946 44.88,948 71.872,949 183.937,950 94.563,951 8.825,952 37.966,953 37.905,954 59.469,955 57.194,957 141.253,958 7.76,959 141.253,960 121.555,961 87.564,964 117.711,965 111.106,968 57.308,969 28.509,970 35.738,972 186.134,973 92.366,974 71.872,977 149.013,978 17.383,979 46.73,981 137.246,982 141.253,983 137.246,984 71.872,986 0.618,987 0.36,988 0.193,989 0.117,990 21,991 10,994 3,995 1.385,996 3.01,997 178.532,998 0.462,999 12,1000 87.484,1005 14.307,1006 4.427,1007 2.102,1009 137.246,1010 2.948,1011 4.035,1015 1.004,1017 75.581,1018 350.372,1019 28,1026 3.041,1028 0.204,1031 37.138,1032 41.547,1034 0.334,1035 0.749,1036 0.874,1037 0.917,1038 0.917,1039 0.917,1040 4.714,1041 0.908,1042 5.808,1043 3.446,1044 4.317,1045 4.682,1046 3.244,1047 6.81,1048 4.214,1049 6,1050 0.128,1051 7.507,1052 2.109,1053 4.443,1054 4.783,1055 3.925,1056 8.36,1057 4.217,1058 7.388,1059 -0.151,1060 9.324,1061 0.358,1062 6.196,1063 6.878,1064 5.469,1065 11.456,1066 5.998,1067 8.806,1068 -0.348,1069 11.211,1070 -0.261,1071 7.04,1072 7.672,1073 6.719,1074 13.753,1075 6.75,1076 10.254,1077 -0.612,1078 13.143,1079 -0.883,1080 8.434,1081 9.36,1082 8.094,1083 16.533,1084 8.152,1085 11.723,1086 -1,1087 15.103,1088 -1.856,1089 9.547,1090 10.464,1091 9.428,1092 19.087,1093 9.217,1094 13.209,1095 -1,1096 17.086,1097 -3,1098 10.845,1099 11.995,1100 10.779,1101 21.794,1102 10.511,1103 3.681,1104 -1,1105 19.084,1106 -3,1107 12.06,1108 13.25,1109 12.124,1110 24.438,1111 11.704,1112 3.259,1113 14.942,1114 21.095,1115 -3.193,1116 13.337,1117 14.716,1118 13.472,1119 27.131,1120 12.976,1121 2.625,1122 11.632,1123 23.115,1124 4.205,1125 14.592,1126 16.048,1127 14.819,1128 29.808,1129 14.22,1130 2.416,1131 8.654,1132 25.143,1133 3.652,1134 15.868,1135 17.487,1136 16.166,1137 32.502,1138 15.492,1139 2.004,1140 7.978,1141 27.178,1142 3.375,1143 17.141,1144 18.861,1145 17.514,1146 35.192,1147 16.758,1148 1.63,1149 5.649,1150 29.217,1151 2.749,1152 18.422,1153 20.289,1154 18.861,1155 37.889,1156 18.034,1157 1.254,1158 4.969,1159 31.261,1160 2.494,1161 19.703,1162 21.687,1163 20.208,1164 40.585,1165 19.31,1166 3446,1167 6835,1168 14.216,1169 23.37,1170 36.872,1171 35.356,1172 38.487,1173 36.085,1174 35.812,1175 42.986,1176 12.297,1177 119.472,1178 33.742,1179 5.783,1180 6.49,1181 7.423,1182 5.701,1183 5.681,1184 7.205,1185 5.357,1186 23.547,1187 5.617,1188 13.127,1189 1.603,1190 1.537,1191 1.673,1192 1.569,1193 1.557,1194 1.869,1195 0.535,1196 5.194,1197 1.467,1198 4.082,1199 4.112,1200 4.035,1201 4.007,1202 8.513,1203 4.009,1204 3.724,1205 3.756,1206 3.691,1207 3.602,1208 7.999,1209 3.613,1210 3.498,1211 3.548,1212 3.452,1213 3.335,1214 7.999,1215 3.341,1216 3.263,1217 3.341,1218 3.113,1219 3.114,1220 6.476,1221 3.102,1222 3.218,1223 3.296,1224 3.074,1225 2.977,1226 5.047,1227 2.993,1228 2.888,1229 2.949,1230 2.817,1231 2.599,1232 4.656,1233 2.64,1234 2.749,1235 2.819,1236 2.6,1237 2.463,1238 4.361,1239 2.488,1240 2.659,1241 2.768,1242 2.435,1243 2.35,1244 4.068,1245 2.372,1246 0.21,1247 0.195,1248 0.345,1249 0.203,1250 0.16,1251 4.825,1252 0.183,1253 4.49,1254 0.167,1255 7.928,1256 0.65,1257 4.662,1258 0.157,1259 3.681,1260 4.205,1261 3.847,1262 14.942,1263 3.617,1264 2.042,1265 2.017,1266 2.139,1267 2.137,1268 1.456,1269 2.139,1270 1.675,1271 1.645,1272 1.796,1273 1.823,1274 0.902,1275 1.809,1276 1.451,1277 1.4,1278 1.696,1279 1.649,1280 0.849,1281 1.658,1282 1.267,1283 1.199,1284 1.537,1285 1.473,1286 0.78,1287 1.497,1288 1.119,1289 1.059,1290 1.318,1291 1.432,1292 0.378,1293 1.396,1294 0.739,1295 0.681,1296 1.061,1297 1.092,1298 0.232,1299 1.043,1300 0.644,1301 0.582,1302 0.957,1303 1.022,1305 0.998,1306 0.587,1307 0.48,1308 0.892,1309 0.941,1311 0.975,1312 3.85,1314 5.273,1316 6.903,1318 8.638,1320 10.433,1322 1.787,1324 39.272,1326 6.373,1327 9.478,1328 0.022,1332 -0.424,1334 -5.572,1340 23.122,1341 62.156,1342 139.362,1343 162.608,1344 170.608,1345 170.608,1346 170.608,1347 55.616,1348 7.06,1349 59.14,1350 59.14,1351 18,1352 12.797,1353 3.17,1354 2.585,1355 31.792,1356 53,1357 57,1358 0.316,1359 139.018,1360 255.88,1361 330.963,1362 8775,1363 8.3,1364 15.414,1365 0.734,1366 0.543,1367 12.914,1368 11.407,1369 9.753,1370 0.424,1371 0.291,1372 6.567,1373 9.294,1374 6.433,1375 5.245,1376 8.542,1377 6.683,1378 10.304,1379 0.278,1380 0.15,1381 8.346,1382 5.556,1383 8.051,1384 0.161,1385 0.086,1386 7.047,1387 4.315,1388 6.996,1389 0.1,1390 0.05,1391 6.708,1392 3.471,1393 5.94,1394 0.061,1395 0.025,1396 5.107,1397 2.497,1398 0.458,1399 62.005,1400 0.265,1401 19.757,1402 1.002,1403 120,1404 499.44,1405 142.645,1406 405.054,1407 523.45,1408 372,1409 147,1410 365.692,1411 162.634,1412 352.595,1413 541.79,1414 331,1415 6.398}
{0 CHEMBL294897,1 1.31,2 7.588,3 1.858,4 3.452,5 68.871,6 6.524,7 0.667,8 3.617,9 3.746,10 3.07,11 3.161,12 4.675,13 3.11,14 4.125,15 4.322,16 3.393,17 3.547,18 5.079,19 3.476,20 4.411,21 4.613,22 3.401,23 3.741,24 5.342,25 3.606,26 4.598,27 4.888,28 3.237,29 3.727,30 5.349,31 3.535,32 4.469,33 4.749,34 3.134,35 3.655,36 5.222,37 3.454,38 4.378,39 4.673,40 3.017,41 3.493,42 5.199,43 3.3,44 4.109,45 4.37,46 2.617,47 3.17,48 5.08,49 2.981,50 3.721,51 4.054,52 2.206,53 2.695,54 4.507,55 2.477,56 0.046,57 0.469,58 8.139,59 3.32,60 8.386,61 4.631,62 0.111,63 0.766,64 13.917,65 5.129,66 11.951,67 7.441,68 0.115,69 0.966,70 18.454,71 7.512,72 20.834,73 10.595,74 0.166,75 1.085,76 22.607,77 8.773,78 26.212,79 12.783,80 0.159,81 0.961,82 19.606,83 8.129,84 19.772,85 11.771,86 0.112,87 0.839,88 18.031,89 7.319,90 22.078,91 10.478,92 0.171,93 0.602,94 14.172,95 5.317,96 32.534,97 7.241,98 0.061,99 0.402,100 9.338,101 3.691,102 14.269,103 5.315,104 10,105 25,106 0.243,107 0.511,108 0.64,109 0.748,110 0.763,111 0.763,112 2.908,113 0.985,114 -0.85,115 -0.96,116 -1.07,121 42.9,126 2,127 1,144 9,145 1,146 2,176 8,185 2,187 8,189 3,197 2,200 5,203 4,214 2,216 2,226 1,227 6,229 1,239 8,249 1,251 6,261 2,264 2,274 2,281 324,282 11.093,283 11.093,284 11.093,285 11.093,286 11.093,287 9.604,288 12.793,289 6.626,290 11.26,291 8.888,292 8.888,293 8.888,294 8.888,295 8.888,296 6.804,297 17.505,298 3.172,299 9.202,300 3.819,301 2.373,302 1.68,303 1.093,304 1.015,305 1.015,306 3.556,311 1,312 1,313 268,314 2.915,318 116.362,325 1.26,326 8.142,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 35.5,338 129,339 4.504,340 3.746,341 7.308,342 4.313,343 3.392,344 3.863,345 1.26,346 12.507,347 3.128,348 3.888,349 2.674,350 5.405,351 3.472,352 2.483,353 3.446,354 0.245,355 6.995,356 2.458,357 3.721,358 2.56,359 5.089,360 3.311,361 2.345,362 3.099,364 6.218,365 2.252,366 2.991,367 1.777,368 4.642,369 2.589,370 1.619,371 2.163,373 4.613,374 1.566,375 2.798,376 1.494,377 3.606,378 2.378,379 1.39,380 1.904,382 3.023,383 1.37,384 2.5,385 1,386 3.414,387 2,388 1,389 1.5,391 2.275,392 1,393 2.5,394 1,395 3.247,396 2,397 1,398 1.5,400 2.136,401 1,402 1.163,403 0.225,404 3.099,405 0.879,406 -0.086,407 -0.102,409 -0.22,410 -0.082,411 1.02,412 0.095,413 2.616,414 0.68,415 -0.253,416 -0.304,418 -0.581,419 -0.234,420 0.5,421 -0.6,422 2,424 -1,425 -1,427 -2.347,428 -0.9,429 0.5,430 -0.83,431 2,433 -1,434 -1.257,436 -2.542,437 -0.964,438 0.331,439 -0.925,440 1.759,441 -0.033,442 -1,443 -1.459,445 -3,446 -1,448 -1,449 1.648,450 -0.1,451 -1,452 -1.5,454 -3,455 -1,456 -0.045,457 -1,458 1.555,459 -0.348,460 -1.249,461 -1.5,463 -3.065,464 -1.128,465 -0.5,466 -1.442,467 0.957,468 -0.763,469 -1.713,470 -2.086,472 -4.789,473 -1.63,474 8.233,475 0.484,476 0.509,477 0.03,478 22.75,479 1.338,480 12.5,481 0.735,482 10.25,483 0.603,484 10.821,485 0.637,486 18.467,487 0.528,488 14.785,489 0.87,490 4.784,491 0.281,492 3.293,493 0.194,494 0.162,495 0.049,496 0.182,501 1.063,502 1.345,503 0.955,504 1.096,505 1.038,506 1.028,507 1.121,508 0.927,509 0.959,510 0.837,511 0.531,512 0.852,513 0.974,514 1.358,515 1.232,516 1.318,517 0.901,518 1.301,519 0.736,520 0.955,521 0.952,522 0.946,523 0.657,524 0.961,525 0.308,526 0.997,527 0.965,528 1.053,529 0.425,530 1.065,531 0.597,532 0.888,533 0.849,534 0.954,535 0.612,536 0.927,537 2.098,538 0.891,539 1.267,540 0.971,541 2.488,542 1.052,543 0.567,544 0.742,545 0.638,546 0.789,547 0.654,548 0.733,549 4.5,550 0.012,551 2.222,552 1.188,553 0.893,554 0.569,555 0.121,556 0.111,557 0.082,558 0.03,559 2246,560 5116,561 1.98,562 51.4,564 17,567 1,572 1.569,573 1.838,574 2.931,575 -0.371,577 1,578 1,579 1,582 45.863,583 1.31,584 2.756,585 3.449,586 4.036,587 4.115,588 4.115,589 2.469,590 3.22,591 4.06,592 3.023,593 411.103,594 6.863,595 3678.38,596 1,597 1,599 1,600 179.525,601 1.574,602 3.996,603 0.25,604 0.012,605 0.089,606 0.052,607 0.047,608 0.033,609 0.008,610 0.012,611 0.014,612 0.01,613 0.527,614 1,615 1,616 0.682,617 70.12,618 -0.031,619 -0.181,620 0.035,621 -0.036,622 -0.141,623 -0.007,624 -0.114,625 0.235,626 0.038,627 0.147,628 0.094,629 0.12,630 -0.092,631 -0.311,632 -0.272,633 -0.307,634 -0.076,635 -0.307,636 -0.023,637 -0.002,639 0.006,640 -0.018,641 0.005,642 0.14,643 -0.043,644 -0.04,645 -0.072,646 -0.003,647 -0.074,648 0.077,649 0.022,650 0.095,651 0.012,652 0.125,653 0.052,654 -0.307,655 -0.009,656 -0.244,657 -0.022,658 -0.401,659 -0.117,660 0.181,661 0.093,662 0.313,663 0.147,664 0.234,665 0.23,666 1.353,667 3.305,668 0.706,669 9.952,670 0.984,671 1.121,672 -0.378,673 0.143,674 0.655,675 2.944,676 3.258,677 3.401,678 3.555,679 3.714,680 3.611,681 3.434,682 3.367,683 3.219,684 3.045,685 4.507,686 0.606,687 228.34,688 2.944,689 4.466,690 5.273,691 6.138,692 6.967,693 7.837,694 8.674,695 9.548,696 10.388,697 11.264,698 2.9,712 1,715 9,720 3,722 12,738 1,741 35,743 12,744 2,745 18,747 36,748 15,749 12,750 3,751 9,756 2,757 2,772 12,773 3,790 1,793 18,794 1,795 1,796 2,802 1,803 1,807 1,808 1,809 1,829 2,859 2,864 2,868 17,875 1,876 1,883 1,893 2.9,895 1,901 9.25,902 6.7,903 3.708,904 2.029,907 2.042,908 1.351,909 0.907,910 3.272,911 7.853,912 3.219,913 3.784,914 4.248,915 4.718,916 5.211,917 5.083,918 5.134,919 5.316,920 5.558,921 5.768,922 1,923 23,924 6.251,926 2.528,927 0.026,929 7.618,931 12.143,933 9.689,936 2.118,937 36,938 0.003,941 200.109,942 110.127,945 42.683,948 110.127,949 242.792,951 16.793,952 2.106,953 85.286,954 42.683,955 5.942,957 200.109,959 200.109,960 110.127,961 42.683,964 200.109,965 42.683,968 2.106,969 108.021,972 200.109,973 42.683,974 110.127,977 200.109,978 8.048,979 102.079,981 42.683,982 200.109,983 42.683,984 110.127,986 0.584,987 0.318,988 0.155,989 0.087,990 12,991 5,992 0.083,993 3,995 1,996 2.914,997 112.755,999 12,1000 59.487,1005 11.838,1006 4.699,1007 2.932,1009 42.683,1010 17.848,1015 2.811,1017 42.683,1018 352.919,1019 24,1031 34.44,1032 39.237,1034 0.255,1035 0.537,1036 0.673,1037 0.787,1038 0.802,1039 0.802,1040 4.431,1041 -0.086,1042 5.303,1043 2.136,1044 3.932,1045 4.466,1046 1.242,1047 6.133,1048 3.857,1049 5.651,1050 -0.253,1051 6.889,1052 -0.22,1053 3.761,1054 4.182,1055 0.931,1056 7.466,1057 3.547,1058 6.962,1059 -1,1060 8.604,1061 -0.581,1062 5.617,1063 6.59,1064 1.34,1065 10.447,1066 5.42,1067 8.31,1068 -1,1069 10.403,1070 -2.347,1071 6.256,1072 7.011,1073 1.381,1074 12.612,1075 5.893,1076 9.689,1077 -1,1078 12.259,1079 -2.542,1080 7.679,1081 8.958,1082 1.635,1083 15.259,1084 7.314,1085 11.091,1086 -1,1087 14.155,1088 -3,1089 8.66,1090 9.729,1091 1.783,1092 17.679,1093 8.142,1094 12.511,1095 -1.249,1096 16.077,1097 -3,1098 9.939,1099 11.44,1100 2.002,1101 20.241,1102 9.384,1103 3.392,1104 -1.713,1105 18.019,1106 -3.065,1107 11.062,1108 12.413,1109 2.192,1110 22.735,1111 10.378,1112 2.483,1113 12.507,1114 19.974,1115 -4.789,1116 12.294,1117 13.984,1118 2.407,1119 25.273,1120 11.55,1121 2.345,1122 6.995,1123 21.939,1124 3.863,1125 13.475,1126 15.087,1127 2.615,1128 27.789,1129 12.62,1130 1.619,1131 6.218,1132 23.911,1133 3.446,1134 14.695,1135 16.571,1136 2.833,1137 30.319,1138 13.767,1139 1.39,1140 4.613,1141 25.888,1142 3.099,1143 15.899,1144 17.758,1145 3.05,1146 32.842,1147 14.873,1148 1,1149 3.023,1150 27.868,1151 2.163,1152 17.118,1153 19.188,1154 3.272,1155 35.369,1156 16.012,1157 1,1158 2.275,1159 29.851,1160 1.904,1161 18.331,1162 20.43,1163 3.495,1164 37.895,1165 17.136,1166 2295,1167 3514,1168 11.614,1169 22.932,1170 27.137,1171 26.162,1172 27.176,1173 26.591,1174 26.457,1175 34.949,1176 3.01,1177 75.533,1178 25.547,1179 5.325,1180 5.746,1181 7.11,1182 5.313,1183 5.392,1184 6.863,1185 1.965,1186 19.844,1187 5.128,1188 7.964,1189 1.508,1190 1.453,1191 1.51,1192 1.477,1193 1.47,1194 1.942,1195 0.167,1196 4.196,1197 1.419,1198 4.018,1199 4.065,1200 3.949,1201 3.914,1202 6.471,1203 3.916,1204 3.856,1205 3.885,1206 3.785,1207 3.794,1208 4.77,1209 3.789,1210 3.562,1211 3.631,1212 3.437,1213 3.36,1214 4.635,1215 3.368,1216 2.984,1217 3.063,1218 2.814,1219 2.85,1220 4.163,1221 2.83,1222 2.874,1223 3.009,1224 2.687,1225 2.735,1226 3.674,1227 2.715,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 2.854,1235 2.925,1236 2.684,1237 2.618,1238 3.65,1239 2.623,1240 2.834,1241 2.868,1242 2.499,1243 2.616,1244 3.467,1245 2.57,1246 0.25,1247 0.208,1248 0.406,1249 0.24,1250 0.188,1251 4.504,1252 0.215,1253 3.746,1254 0.07,1255 7.308,1256 0.695,1257 4.313,1258 0.174,1259 3.392,1260 3.863,1261 1.26,1262 12.507,1263 3.128,1264 1.97,1265 1.933,1266 2.098,1267 2.112,1268 1.308,1269 2.11,1270 1.861,1271 1.834,1272 1.984,1273 1.947,1274 1.064,1275 1.962,1276 1.528,1277 1.454,1278 1.771,1279 1.747,1280 0.869,1281 1.759,1282 1.017,1283 0.943,1284 1.417,1285 1.239,1286 0.512,1287 1.308,1288 0.934,1289 0.821,1290 1.35,1291 1.218,1292 0.469,1293 1.268,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 0.886,1301 0.804,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.757,1307 0.718,1308 0.993,1309 1.054,1310 0.045,1311 1.027,1312 3.611,1314 4.92,1316 6.428,1318 8.017,1320 9.646,1322 4.332,1327 9.305,1328 0.936,1335 0.768,1340 21.214,1341 45.863,1342 96.466,1343 120.731,1344 141.26,1345 144.015,1346 144.015,1347 22.503,1348 5.811,1349 20.23,1350 20.23,1351 12,1352 11.811,1353 3.7,1354 2.807,1355 28.421,1356 44,1357 45,1358 0.318,1359 134.559,1360 226.81,1361 320.083,1362 1929,1364 12.303,1365 0.724,1366 0.609,1367 12.303,1368 10.35,1369 8.077,1370 0.449,1371 0.328,1372 5.844,1373 7.873,1374 5.611,1375 4.756,1376 8.077,1377 5.913,1378 7.654,1379 0.306,1380 0.204,1381 7.654,1382 5.093,1383 5.661,1384 0.195,1385 0.108,1386 5.661,1387 3.138,1388 4.344,1389 0.128,1390 0.062,1391 4.344,1392 2.121,1393 3.312,1394 0.083,1395 0.033,1396 3.312,1397 1.331,1398 0.483,1399 49.862,1400 0.293,1401 17.124,1402 0.915,1403 86,1404 186.483,1405 90.546,1406 189.598,1407 259.03,1408 176,1409 97,1410 191.284,1411 102.491,1412 199.857,1413 282.06,1414 186,1415 5}
{0 CHEMBL295462,1 1.758,2 9.783,3 3.233,4 10.452,5 83.221,6 8.272,7 0.64,8 3.769,9 3.886,10 3.414,11 3.253,12 5.006,13 3.277,14 4.248,15 4.409,16 3.774,17 3.599,18 5.53,19 3.616,20 4.418,21 4.586,22 3.813,23 3.68,24 5.705,25 3.682,26 4.478,27 4.674,28 3.681,29 3.654,30 5.683,31 3.629,32 4.392,33 4.597,34 3.622,35 3.633,36 5.563,37 3.594,38 4.393,39 4.592,40 3.591,41 3.639,42 5.561,43 3.584,44 4.337,45 4.555,46 3.495,47 3.5,48 5.554,49 3.439,50 4.24,51 4.487,52 3.081,53 3.198,54 5.45,55 3.117,56 0.125,57 0.65,58 6.431,59 3.121,60 6.594,61 3.645,62 0.4,63 0.98,64 12.63,65 4.766,66 27.403,67 5.991,68 0.473,69 1.153,70 15.719,71 5.808,72 40.16,73 7.053,74 0.589,75 1.117,76 18.42,77 6.088,78 46.851,79 7.353,80 0.436,81 1.026,82 16.65,83 6.113,84 37.147,85 7.667,86 0.417,87 1.049,88 16.927,89 6.815,90 39.235,91 8.413,92 0.356,93 0.984,94 16.201,95 6.259,96 28.594,97 8.137,98 0.555,99 0.814,100 16.832,101 5.022,102 67.51,103 6.194,104 20,105 35,106 0.313,107 0.714,108 0.843,109 0.89,110 0.89,111 0.89,112 3.189,113 0.835,114 -3.05,115 -3.05,116 -2.93,121 42.1,122 1,126 1,144 4,145 2,146 3,147 2,153 1,154 1,161 1,172 1,176 4,179 1,180 6,183 2,185 1,187 4,192 6,197 3,200 4,206 3,209 1,211 5,214 2,218 2,219 3,224 2,227 4,232 1,235 1,237 1,239 3,243 1,244 4,247 1,249 1,256 4,259 1,260 1,281 695,282 15.455,283 15.455,284 15.455,285 15.455,286 15.455,287 13.322,288 13.877,289 9.048,290 15.858,291 12.271,292 12.271,293 12.271,294 12.271,295 12.271,296 9.025,297 9.287,298 4.243,299 12.896,300 3.49,301 1.241,302 0.513,303 0.25,304 0.25,305 0.25,306 3.867,310 1,311 1,312 1,313 475,314 3.082,317 49.016,318 129.21,321 89.455,325 1.879,326 25.701,327 1,328 1,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 51.5,338 225,339 4.65,340 3.661,341 6.737,342 4.179,343 3.206,344 4.619,345 2.186,346 10.999,347 3.12,348 4.162,349 3.267,350 6.045,351 3.74,352 2.79,353 3.777,354 0.366,355 8.661,356 2.641,357 3.857,358 3.105,359 5.534,360 3.469,361 2.542,362 3.255,364 7.404,365 2.34,366 3.476,367 2.579,368 5.36,369 3.057,370 2.093,371 2.801,373 6.457,374 2.004,375 3.418,376 2.233,377 4.831,378 3.002,379 2.018,380 2.678,382 5.361,383 1.974,384 2.995,385 1.888,386 4.642,387 2.563,388 1.605,389 2.174,391 4.673,392 1.53,393 2.866,394 1.612,395 4.155,396 2.347,397 1.414,398 2.026,400 3.66,401 1.309,402 2.787,403 1.42,404 3.662,405 2.299,406 1.354,407 1.907,409 2.973,410 1.274,411 2.391,412 1.106,413 3.584,414 1.956,415 0.963,416 1.346,418 2.421,419 0.955,420 1.521,421 1.041,422 2.963,423 1.314,424 0.403,425 0.43,427 0.645,428 0.363,429 1.432,430 0.683,431 2.855,432 1.068,433 0.15,434 0.184,436 0.335,437 0.135,438 1.235,439 0.483,440 2.38,441 0.803,442 -0.163,443 -0.21,445 -0.365,446 -0.154,447 0.84,448 -0.142,449 2.271,450 0.441,451 -0.477,452 -0.583,454 -1.169,455 -0.428,456 0.681,457 -0.17,458 2.149,459 0.299,460 -0.687,461 -0.876,463 -1.727,464 -0.668,465 0.649,466 -0.562,467 2,468 0.154,469 -0.813,470 -1.143,472 -2.14,473 -0.786,474 10.552,475 0.459,476 0.592,477 0.026,478 31.75,479 1.38,480 16.5,481 0.717,482 15.25,483 0.663,484 15.434,485 0.671,486 24.848,487 0.654,488 23.165,489 1.007,490 6.652,491 0.289,492 4.428,493 0.193,494 0.153,496 0.37,499 1,501 0.707,502 1.139,503 0.682,504 1.069,505 0.562,506 0.905,507 0.684,508 1.021,509 0.704,510 0.877,511 0.523,512 0.799,513 1.026,514 1.117,515 0.959,516 1.106,517 0.865,518 1.039,519 1.227,520 0.93,521 1.173,522 0.967,523 1.11,524 1.034,525 0.897,526 0.851,527 0.986,528 0.952,529 0.9,530 0.978,531 0.92,532 1.051,533 0.957,534 1.082,535 0.933,536 1.063,537 0.766,538 1.207,539 0.915,540 1.262,541 0.859,542 1.176,543 1.456,544 1.085,545 1.397,546 1.062,547 1.75,548 1.181,549 5,550 0.087,551 2.667,552 1.951,553 1.116,554 0.796,555 0.654,556 0.334,557 0.178,558 0.07,559 5412,560 18368,561 2.041,562 39.5,563 3,564 7,565 1,566 2,567 2,572 1.657,573 1.89,574 3.243,575 0.364,576 1,577 1,579 1,582 66.818,583 1.758,584 4.007,585 4.735,586 4.998,587 4.998,588 4.998,589 2.699,590 4.437,591 4.489,592 3.404,593 861.317,594 7.734,595 9713.61,596 1,597 1,598 1,599 1,600 199.421,601 1.478,602 4.443,603 0.2,604 0.01,605 0.076,606 0.056,607 0.037,608 0.027,609 0.023,610 0.014,611 0.013,612 0.008,613 0.464,614 0.33,615 1,616 1.226,617 107.402,618 -0.043,619 -0.097,620 0.038,621 -0.066,622 -0.067,623 -0.006,624 0.12,625 -0.03,626 0.134,627 0.087,628 0.105,629 0.116,630 -0.044,631 -0.078,632 -0.068,633 -0.127,635 -0.116,636 -0.187,637 0.049,638 -0.22,639 -0.015,640 -0.136,641 -0.104,642 -0.063,643 0.087,644 -0.06,645 0.034,646 -0.068,647 0.004,648 -0.036,649 -0.102,650 -0.015,651 -0.035,652 -0.06,653 -0.031,654 0.069,655 -0.254,656 0.052,657 -0.244,658 0.051,659 -0.143,660 -0.211,661 -0.006,662 -0.301,663 -0.104,664 -0.285,665 -0.202,666 2.196,667 5.726,668 0.652,669 20.836,670 1.023,671 1.138,672 1.817,673 3.301,674 0.669,675 3.258,676 3.584,677 3.85,678 4.111,679 4.331,680 4.394,681 4.575,682 4.691,683 4.663,684 4.635,685 5.752,686 0.659,687 314.35,688 3.258,689 4.796,690 5.645,691 6.526,692 7.399,693 8.289,694 9.173,695 10.067,696 10.958,697 11.856,698 10.5,705 1,706 2,708 1,714 2,715 7,716 1,720 4,721 1,722 16,737 1,740 1,741 38,743 17,744 1,745 25,747 40,748 16,749 13,750 3,751 3,756 3,757 4,763 1,772 14,773 2,777 1,782 1,786 1,789 1,790 1,791 1,793 15,794 6,795 2,796 7,802 4,808 0.667,809 2,822 1,824 1,828 1,829 2,832 1,859 2,864 2,866 1,868 23,877 2,878 1,892 1,893 5.3,896 1,898 1,901 12.167,902 7.46,903 5.111,904 2.079,907 3.205,908 1.456,909 0.993,910 4.279,911 10.231,912 3.555,913 4.201,914 4.805,915 5.424,916 5.963,917 6.271,918 6.741,919 7.171,920 7.348,921 7.6,922 0.857,923 35,924 8.454,926 3.57,927 0.026,929 8.029,931 15.602,933 12.315,936 2.529,937 58.167,941 153.024,942 114.055,943 54.461,945 36.145,946 14.96,948 114.055,949 189.169,950 69.421,951 17.222,952 18.011,953 46.952,954 65.473,955 71.639,956 35.638,957 117.711,959 153.024,960 168.516,961 51.105,964 167.984,965 36.145,968 64.596,969 87.135,970 16.786,972 167.984,973 90.606,974 114.055,977 153.024,978 31.786,979 84.045,980 35.899,981 67.89,982 153.024,983 105.566,984 114.055,986 0.581,987 0.341,988 0.177,989 0.098,990 17,991 8,992 0.1,993 4,994 1,995 1.133,996 3.49,997 182.319,998 0.133,999 15,1000 104.042,1005 15.466,1006 6.363,1007 3.183,1008 1.733,1009 103.789,1010 11.301,1011 3.723,1015 1.284,1016 1.715,1017 35.899,1018 372.646,1019 34,1024 11.288,1028 -0.529,1031 38.876,1032 43.243,1034 0.335,1035 0.764,1036 0.902,1037 0.952,1038 0.952,1039 0.952,1040 4.779,1041 1.354,1042 5.638,1043 3.66,1044 4.263,1045 4.887,1046 2.255,1047 6.454,1048 4.169,1049 6.009,1050 0.963,1051 7.203,1052 2.973,1053 3.892,1054 4.796,1055 1.784,1056 7.357,1057 3.758,1058 7.331,1059 0.403,1060 8.865,1061 2.421,1062 5.861,1063 7.164,1064 3.49,1065 10.461,1066 5.685,1067 8.691,1068 0.15,1069 10.585,1070 0.645,1071 6.293,1072 7.906,1073 3.59,1074 12.209,1075 6.081,1076 10.082,1077 -0.163,1078 12.341,1079 0.335,1080 7.752,1081 9.769,1082 4.905,1083 14.837,1084 7.508,1085 11.497,1086 -0.477,1087 14.124,1088 -0.365,1089 8.564,1090 10.918,1091 5.289,1092 16.954,1093 8.289,1094 12.932,1095 -0.687,1096 15.927,1097 -1.169,1098 9.821,1099 12.575,1100 6.387,1101 19.418,1102 9.521,1103 3.206,1104 -0.813,1105 17.746,1106 -1.727,1107 10.812,1108 13.923,1109 6.93,1110 21.695,1111 10.486,1112 2.79,1113 10.999,1114 19.578,1115 -2.14,1116 11.992,1117 15.496,1118 7.902,1119 24.106,1120 11.644,1121 2.542,1122 8.661,1123 21.422,1124 4.619,1125 13.067,1126 16.938,1127 8.539,1128 26.449,1129 12.695,1130 2.093,1131 7.404,1132 23.274,1133 3.777,1134 14.221,1135 18.478,1136 9.436,1137 28.845,1138 13.828,1139 2.018,1140 6.457,1141 25.133,1142 3.255,1143 15.335,1144 19.965,1145 10.13,1146 31.218,1147 14.92,1148 1.605,1149 5.361,1150 27,1151 2.801,1152 16.483,1153 21.494,1154 10.981,1155 33.611,1156 16.046,1157 1.414,1158 4.673,1159 28.871,1160 2.678,1161 17.617,1162 23.001,1163 11.71,1164 35.996,1165 17.158,1166 5370,1167 10002,1168 16.414,1169 25.438,1170 37.188,1171 38.951,1172 39.136,1173 37.043,1174 37.073,1175 50.397,1176 5.105,1177 107.178,1178 35.289,1179 5.443,1180 5.661,1181 6.425,1182 5.232,1183 5.206,1184 7.619,1185 3.889,1186 18.007,1187 5.12,1188 12.114,1189 1.488,1190 1.558,1191 1.565,1192 1.482,1193 1.483,1194 2.016,1195 0.204,1196 4.287,1197 1.412,1198 4.144,1199 4.178,1200 4.112,1201 4.046,1202 8.201,1203 4.057,1204 3.854,1205 3.893,1206 3.816,1207 3.726,1208 7.435,1209 3.742,1210 3.594,1211 3.636,1212 3.536,1213 3.363,1214 4.975,1215 3.386,1216 3.399,1217 3.466,1218 3.284,1219 3.178,1220 4.811,1221 3.202,1222 3.166,1223 3.262,1224 3.028,1225 2.924,1226 4.51,1227 2.94,1228 2.952,1229 2.999,1230 2.822,1231 2.733,1232 4.181,1233 2.734,1234 2.898,1235 2.957,1236 2.775,1237 2.656,1238 4.032,1239 2.671,1240 2.787,1241 2.876,1242 2.638,1243 2.604,1244 3.904,1245 2.597,1246 0.186,1247 0.146,1248 0.269,1249 0.167,1250 0.128,1251 4.65,1252 0.185,1253 3.661,1254 0.087,1255 6.737,1256 0.44,1257 4.179,1258 0.125,1259 3.206,1260 4.619,1261 2.186,1262 10.999,1263 3.12,1264 1.935,1265 1.916,1266 2.012,1267 2.048,1268 1.171,1269 2.031,1270 1.81,1271 1.772,1272 1.901,1273 1.959,1274 0.945,1275 1.946,1276 1.564,1277 1.511,1278 1.75,1279 1.75,1280 0.832,1281 1.749,1282 1.405,1283 1.337,1284 1.689,1285 1.74,1286 0.681,1287 1.72,1288 1.129,1289 1.057,1290 1.358,1291 1.411,1292 0.413,1293 1.408,1294 0.86,1295 0.804,1296 1.112,1297 1.19,1298 0.19,1299 1.156,1300 0.838,1301 0.787,1302 1.105,1303 1.068,1304 0.143,1305 1.079,1306 0.812,1307 0.735,1308 1.055,1309 1.026,1310 0.057,1311 1.06,1312 3.932,1314 5.252,1315 2.398,1316 6.765,1317 4.844,1318 8.365,1319 7.018,1320 10.013,1322 3.42,1324 13.726,1329 5.383,1330 5.125,1340 25.059,1341 66.818,1342 152.26,1343 179.911,1344 189.911,1345 189.911,1346 189.911,1347 37.4,1348 7.026,1349 68.18,1350 68.18,1351 17,1352 12.381,1353 4.17,1354 3.322,1355 36.847,1356 79,1357 84,1358 0.237,1359 155.016,1360 262.11,1361 370,1362 9588,1363 2.6,1364 16.397,1365 0.713,1366 0.549,1367 15.527,1368 12.63,1369 11.08,1370 0.443,1371 0.278,1372 6.812,1373 10.467,1374 6.626,1375 5.546,1376 10.669,1377 6.961,1378 9.986,1379 0.285,1380 0.142,1381 9.469,1382 4.968,1383 8.402,1384 0.183,1385 0.074,1386 7.868,1387 3.403,1388 6.739,1389 0.112,1390 0.038,1391 6.458,1392 2.283,1393 5.51,1394 0.073,1395 0.02,1396 5.282,1397 1.528,1398 0.366,1399 70.779,1400 0.247,1401 22.513,1402 0.662,1403 120,1404 453.538,1405 137.828,1406 408.168,1407 548.74,1408 380,1409 141,1410 405.271,1411 158.439,1412 400.655,1413 583.53,1414 375,1415 7}
{0 CHEMBL298312,1 1.272,2 3.5,3 2.049,4 4.198,5 32.793,6 6.759,7 0.75,8 2.843,9 2.951,10 2.306,11 2.424,12 4.019,13 2.375,14 3.243,15 3.411,16 2.541,17 2.702,18 4.367,19 2.625,20 3.397,21 3.583,22 2.343,23 2.667,24 4.504,25 2.541,26 3.329,27 3.628,28 1.783,29 2.264,30 4.248,31 2.055,32 2.778,33 3.062,34 0.687,35 1.548,36 3.738,37 1.303,38 1.975,39 2.417,40 0.048,41 0.7,42 2.079,43 0.396,56 0.023,57 0.189,58 3.508,59 1.615,60 4.896,61 2.065,62 0.019,63 0.283,64 5.401,65 2.448,66 5.522,67 3.263,68 0.052,69 0.314,70 6.591,71 2.698,72 12.085,73 3.576,74 0.055,75 0.272,76 6.474,77 2.379,78 12.771,79 3.373,80 0.081,81 0.138,82 3.875,83 1.17,84 15.908,85 1.568,86 0.017,87 0.058,88 1.604,89 0.532,90 3.512,91 0.86,104 5,105 10,106 0.299,107 0.636,108 0.754,109 0.872,110 0.872,111 0.872,112 2.263,113 0.954,114 -3.09,115 -3.09,116 -2.97,121 43.8,122 1,144 4,145 1,146 1,176 5,185 2,187 6,197 2,200 3,211 2,214 1,281 18,282 5.138,283 5.138,284 5.138,285 5.138,286 5.138,287 4.309,288 4.582,289 3.174,290 5.178,291 3.949,292 3.949,293 3.949,294 3.949,295 3.949,296 2.815,297 3.941,298 1.528,299 4.028,300 2.728,301 1.297,302 0.797,303 0.297,304 0.297,305 0.297,306 2.805,312 1,313 54,314 1,318 22.133,325 0.5,326 5.626,329 1,330 0.67,331 0.83,332 0.5,333 0.5,334 1,335 1,336 0.79,337 17,338 28,339 4.007,340 2.79,341 5.343,342 3.578,343 2.596,344 3.621,346 6.939,347 2.547,348 3.232,349 2.188,350 4.562,351 2.847,352 1.879,353 2.481,355 4.84,356 1.81,357 2.658,358 1.234,359 3.471,360 2.177,361 1.183,362 1.732,364 2.57,365 1.175,366 1,367 -0.055,368 2,369 0.628,370 -0.347,371 -0.445,373 -0.751,374 -0.332,375 0.79,376 -0.142,377 2,378 0.432,379 -0.516,380 -0.621,382 -1.233,383 -0.49,384 0.045,385 -1.134,386 1.186,387 -0.29,388 -1.263,389 -1.732,391 -3.276,392 -1.222,393 -0.232,394 -1.342,395 1,396 -0.573,397 -1.532,398 -2.036,400 -3.621,401 -1.488,402 -0.5,403 -2,404 0.438,405 -1,406 -2,407 -3,409 -5.468,410 -2,474 3.833,475 0.479,476 0.212,477 0.027,478 10.75,479 1.344,480 6.5,481 0.813,482 4.25,483 0.531,484 3.43,485 0.429,486 8.767,487 0.548,488 4.995,489 0.624,490 2.281,491 0.285,492 1.507,493 0.188,494 0.217,496 0.261,501 0.985,502 0.953,503 0.939,504 0.949,505 1.053,506 0.94,507 0.575,508 1.067,509 0.82,510 1.057,511 0.522,512 0.983,513 1.113,514 1.313,515 1.267,516 1.316,517 1.154,518 1.313,519 0.819,520 1.021,521 0.903,522 1.014,523 0.781,524 0.976,525 2.311,526 0.76,527 1.497,528 0.787,529 2.318,530 0.999,549 2,551 0.667,552 0.5,553 0.222,559 218,560 613,561 1.861,562 50,563 3,564 4,567 1,572 1.303,573 1.714,574 2.035,575 -0.158,582 20.349,583 1.272,584 2.703,585 3.203,586 3.703,587 3.703,588 3.703,589 1,590 1.561,591 2.984,592 1.892,593 52.98,594 4.664,595 284.491,600 64,601 1.5,602 2.906,603 0.25,605 0.067,606 0.071,607 0.074,613 0.462,614 1,615 1,616 0.875,617 21.708,618 -0.122,619 0.112,620 -0.042,621 0.102,622 -0.199,623 0.049,624 0.042,625 -0.056,626 0.064,627 -0.044,628 0.107,629 0.005,630 -0.124,631 -0.36,632 -0.354,633 -0.37,634 -0.172,635 -0.389,636 0.046,637 -0.158,638 0.045,639 -0.14,640 0.095,641 -0.061,642 -0.456,643 0.07,644 -0.449,645 0.024,646 -0.508,647 -0.178,648 0.295,649 0.774,650 0.974,651 0.824,652 0.351,653 0.965,666 1.329,667 2.813,668 0.75,669 1.875,670 0.991,671 1.117,672 1.859,673 3.456,674 0.656,675 2.197,676 2.398,677 2.398,678 2.485,679 2.398,680 1.792,685 2.383,686 0.614,687 108.15,688 2.197,689 3.611,690 4.344,691 5.142,692 5.889,693 6.691,694 7.441,695 8.244,696 8.995,697 9.798,715 4,720 2,722 6,738 1,741 16,743 6,744 1,745 8,747 16,748 7,749 6,750 2,751 4,756 1,757 1,763 1,772 6,773 1,793 8,794 1,795 1,796 1,808 1,809 1,829 1,859 1,864 1,868 8,875 1,893 6.3,895 1,901 4.667,902 3.033,903 1.833,904 0.856,907 1.233,908 1.298,909 0.869,910 1.31,911 5.376,912 2.485,913 3.02,914 3.409,915 3.853,916 4.202,917 3.596,922 0.333,923 7,924 2.916,925 0.064,926 1.122,927 0.084,929 7.917,931 5.493,932 0.025,933 4.055,934 0.044,935 0.004,936 2.417,937 19.333,938 0.042,941 82.398,942 49.916,945 42.683,948 49.916,949 125.081,951 8.825,953 37.905,954 42.683,955 3.186,957 82.398,959 82.398,960 49.916,961 42.683,964 82.398,965 42.683,968 8.825,969 41.091,972 82.398,973 42.683,974 49.916,977 82.398,978 3.186,979 46.73,981 42.683,982 82.398,983 42.683,984 49.916,986 0.563,987 0.284,988 0.139,989 0.06,990 5,991 2,995 1,996 1.918,997 33.496,999 6,1000 22,1005 5.321,1006 1.969,1007 1.332,1009 42.683,1010 7.15,1015 1.426,1017 42.683,1018 174.997,1019 11,1031 15.862,1032 17.87,1034 0.318,1035 0.676,1036 0.801,1037 0.926,1038 0.926,1039 0.926,1040 3.597,1041 -2,1042 4.29,1043 -3.621,1044 3.045,1045 3.689,1047 4.905,1048 3.006,1049 4.781,1051 5.733,1052 -5.468,1053 2.565,1054 3.332,1056 5.38,1057 2.468,1058 6.039,1060 7.265,1062 4.443,1063 5.791,1065 8.318,1066 4.368,1067 7.327,1069 8.839,1071 4.615,1072 6.086,1074 9.47,1075 4.475,1076 8.637,1078 10.439,1080 6.075,1081 8.115,1083 11.951,1084 5.966,1085 9.963,1087 12.054,1089 6.592,1090 8.766,1092 13.428,1093 6.421,1094 11.301,1096 13.68,1098 7.831,1099 10.546,1101 15.69,1102 7.685,1103 2.596,1105 15.315,1107 8.535,1108 11.412,1110 17.348,1111 8.336,1112 1.879,1113 6.939,1114 16.956,1116 9.653,1117 13.033,1119 19.486,1120 9.469,1121 1.183,1122 4.84,1123 18.603,1124 3.621,1125 10.463,1126 14.036,1128 21.252,1129 10.233,1130 -0.347,1131 2.57,1132 20.254,1133 2.481,1134 11.513,1135 15.552,1137 23.314,1138 11.29,1139 -0.516,1140 -0.751,1141 21.909,1142 1.732,1143 12.382,1144 16.646,1146 25.145,1147 12.121,1148 -1.263,1149 -1.233,1150 23.567,1151 -0.445,1152 13.393,1153 18.09,1155 27.161,1156 13.131,1157 -1.532,1158 -3.276,1159 25.227,1160 -0.621,1161 14.298,1162 19.245,1164 29.033,1165 14.003,1166 270,1167 482,1168 4.97,1169 10.5,1170 11.545,1171 11.269,1172 11.75,1173 11.354,1174 11.316,1175 15.669,1177 28.697,1178 11.063,1179 4.507,1180 4.79,1181 4.904,1182 4.578,1183 4.596,1184 6.621,1186 12.407,1187 4.547,1188 3.565,1189 1.443,1190 1.409,1191 1.469,1192 1.419,1193 1.415,1194 1.959,1196 3.587,1197 1.383,1198 3.909,1199 3.936,1200 3.841,1201 3.843,1202 6.471,1203 3.838,1204 3.186,1205 3.263,1206 3.004,1207 3.026,1208 4.641,1209 3.008,1210 2.925,1211 2.968,1212 2.784,1213 2.746,1214 3.868,1215 2.747,1216 2.5,1217 2.604,1218 2.204,1219 2.287,1220 3.43,1221 2.251,1222 2.18,1223 2.27,1224 1.882,1225 1.607,1226 3.127,1227 1.666,1228 1.536,1229 1.744,1230 0.949,1231 1.131,1232 1.893,1233 1.056,1234 0.962,1235 1.207,1236 0.449,1237 0.611,1238 1.278,1239 0.543,1240 0.953,1241 1.207,1242 0.271,1243 0.502,1244 1.139,1245 0.409,1246 0.501,1247 0.349,1248 0.668,1249 0.447,1250 0.325,1251 4.007,1252 0.453,1253 2.79,1255 5.343,1256 0.867,1257 3.578,1258 0.318,1259 2.596,1260 3.621,1262 6.939,1263 2.547,1264 1.898,1265 1.873,1266 2.025,1267 1.99,1268 1.107,1269 2.002,1270 1.205,1271 1.13,1272 1.54,1273 1.427,1274 0.59,1275 1.468,1276 0.883,1277 0.839,1278 1.137,1279 1.134,1280 0.151,1281 1.13,1282 0.536,1283 0.435,1284 0.925,1285 0.797,1287 0.846,1288 0.025,1290 0.582,1291 0.579,1293 0.592,1296 0.336,1297 0.083,1299 0.183,1312 2.833,1314 4.043,1316 5.451,1318 6.948,1320 8.48,1322 1.944,1327 8.813,1340 9.822,1341 20.349,1342 43.245,1343 51.245,1344 59.245,1345 59.245,1346 59.245,1347 6.729,1348 4.143,1349 20.23,1350 20.23,1351 6,1352 10.405,1353 2.807,1354 2,1355 11.963,1356 13,1357 6,1358 0.612,1359 65.737,1360 107.27,1361 152.159,1362 182,1364 5.983,1365 0.748,1366 0.595,1367 5.983,1368 4.757,1369 3.788,1370 0.473,1371 0.318,1372 2.53,1373 3.716,1374 2.405,1375 2.062,1376 3.788,1377 2.545,1378 3.377,1379 0.338,1380 0.184,1381 3.377,1382 1.839,1383 2.199,1384 0.22,1385 0.1,1386 2.199,1387 1.002,1388 1.737,1389 0.158,1390 0.057,1391 1.737,1392 0.628,1393 0.971,1394 0.097,1395 0.031,1396 0.971,1397 0.306,1398 0.834,1399 23.304,1400 0.449,1401 7.614,1402 1.945,1403 36,1404 102.15,1405 38.104,1406 102.557,1407 134,1408 94,1409 38,1410 93.03,1411 39.661,1412 97.316,1413 134.26,1414 90,1415 5.31}
{0 CHEMBL299435,1 1.626,2 12.421,3 2.786,4 7.763,5 143.657,6 7.482,7 0.256,8 4.381,9 4.491,10 4.071,11 3.939,12 5.36,13 3.896,14 5.004,15 5.183,16 4.441,17 4.383,18 6.087,19 4.321,20 5.301,21 5.497,22 4.636,23 4.591,24 6.352,25 4.511,26 5.437,27 5.614,28 4.713,29 4.641,30 6.691,31 4.589,32 5.479,33 5.655,34 4.647,35 4.675,36 6.773,37 4.598,38 5.523,39 5.751,40 4.522,41 4.691,42 6.558,43 4.547,44 5.503,45 5.752,46 4.433,47 4.602,48 6.513,49 4.451,50 5.393,51 5.644,52 4.297,53 4.399,54 6.499,55 4.297,56 0.083,57 1.109,58 18.305,59 7.257,60 18.817,61 9.261,62 0.584,63 1.885,64 33.513,65 12.216,66 66.034,67 16.442,68 0.523,69 2.394,70 50.924,71 17.674,72 74.408,73 22.317,74 1.037,75 2.549,76 61.121,77 18.71,78 185.688,79 22.707,80 1.233,81 2.615,82 58.292,83 19.478,84 214.314,85 24.564,86 0.985,87 2.735,88 64.688,89 22.477,90 168.316,91 29.174,92 0.861,93 2.624,94 69.474,95 22.096,96 154.851,97 29.014,98 1.16,99 2.193,100 59.149,101 17.12,102 169.54,103 22.753,104 66,105 67,106 0.252,107 0.524,108 0.746,109 0.848,110 0.861,111 0.861,112 3.669,113 1.043,114 -3.29,115 -3.27,116 -3.14,121 38.9,122 1,123 5,124 2,126 2,127 2,129 3,144 6,145 2,146 2,160 3,176 12,179 6,180 11,187 8,191 3,192 18,200 8,205 2,206 23,214 7,218 6,219 14,227 13,231 5,232 11,239 11,243 2,244 13,251 5,255 3,256 13,264 7,268 4,269 7,277 11,281 2582,282 25.222,283 25.222,284 25.222,285 25.222,286 25.222,287 23.41,288 32.847,289 13.985,290 25.647,291 21.1,292 21.1,293 21.1,294 21.1,295 21.1,296 17.991,297 44.065,298 6.452,299 21.777,300 4.544,301 2.788,302 1.358,303 0.698,304 0.615,305 0.615,306 4.365,312 1,313 1049,314 4.637,315 61.045,317 262.963,318 188.724,320 134.767,322 161.061,325 1.895,326 65.986,329 0.75,330 0.5,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.83,337 83,338 472,339 5.005,340 4.752,341 7.793,342 4.542,343 3.609,344 4.897,345 2.049,346 14.281,347 3.365,348 4.534,349 4.093,350 7.225,351 4.409,352 3.444,353 4.313,354 1.985,355 12.713,356 3.307,357 4.482,358 3.86,359 6.758,360 4.077,361 3.097,362 3.669,363 1.798,364 10.944,365 3.034,366 4.132,367 3.566,368 6.595,369 3.931,370 2.952,371 3.314,372 0.8,373 10.303,374 2.892,375 3.887,376 3.185,377 6.287,378 3.73,379 2.743,380 3.082,381 0.624,382 9.166,383 2.689,384 3.69,385 2.962,386 5.947,387 3.385,388 2.425,389 2.972,390 0.375,391 7.992,392 2.319,393 3.424,394 2.683,395 5.69,396 3.192,397 2.22,398 2.482,399 0.314,400 7.191,401 2.156,402 3.133,403 2.409,404 5.52,405 3.045,406 2.062,407 2.427,409 6.593,410 2.014,411 3.118,412 2.356,413 5.257,414 2.765,415 1.778,416 2.148,418 5.574,419 1.74,420 2.993,421 2.089,422 4.824,423 2.618,424 1.618,425 2.054,427 4.447,428 1.618,429 2.857,430 1.769,431 4.369,432 2.479,433 1.507,434 1.913,436 3.738,437 1.46,438 2.697,439 1.641,440 4.234,441 2.26,442 1.249,443 1.762,445 3.329,446 1.255,447 2.549,448 1.618,449 4.017,450 2.242,451 1.23,452 1.453,454 3.057,455 1.24,456 2.268,457 1.294,458 3.754,459 2.131,460 1.146,461 1.212,463 2.868,464 1.121,465 2.185,466 1.227,467 3.585,468 1.871,469 0.908,470 1.09,472 2.236,473 0.869,474 18.1,475 0.476,476 1.306,477 0.034,478 43.5,479 1.145,480 18,481 0.474,482 25.5,483 0.671,484 43.784,485 1.152,486 42.5,487 0.59,488 40.215,489 1.058,490 7.608,491 0.2,492 10.516,493 0.277,494 0.175,495 0.046,496 0.42,501 0.522,502 1.528,503 0.801,504 1.289,505 0.53,506 1.047,507 0.602,508 1.079,509 0.797,510 0.892,511 0.492,512 0.902,513 0.929,514 1.099,515 1.035,516 1.094,517 0.852,518 0.95,519 1.584,520 1.061,521 1.234,522 1.084,523 1.631,524 0.95,525 1.418,526 1.095,527 1.151,528 1.072,529 1.515,530 1.123,531 0.946,532 1.03,533 1.117,534 1.097,535 0.969,536 1.11,537 0.863,538 1.09,539 1.199,540 1.207,541 0.826,542 1.048,543 1.417,544 0.798,545 1.008,546 0.805,547 1.493,548 0.832,549 7.5,550 0.279,551 6.278,552 4.847,553 3.344,554 1.994,555 1.231,556 0.793,557 0.601,558 0.438,559 21543,560 52643,561 2.088,562 47.2,563 7,564 19,568 2,569 4,570 2,572 1.791,573 1.892,574 3.607,575 -0.732,582 117.045,583 1.626,584 3.382,585 4.812,586 5.472,587 5.555,588 5.555,589 3.072,590 4.932,591 5.222,592 3.764,593 2645.84,594 9.215,595 41312.9,600 444.235,601 1.666,602 5.146,603 0.174,604 0.007,605 0.098,606 0.066,607 0.042,608 0.027,609 0.02,610 0.014,611 0.012,612 0.009,613 0.469,614 0.33,615 0.63,616 0.749,617 206.928,618 0.067,619 -0.264,620 0.193,621 -0.096,622 -0.048,623 0.005,624 0.189,625 0.092,626 0.119,627 0.108,628 0.126,629 0.076,630 -0.008,631 0.008,632 0.071,633 0.003,634 -0.009,635 0.048,636 -0.169,637 0.001,638 -0.08,639 -0.015,640 -0.128,642 -0.072,643 -0.069,644 -0.171,645 -0.09,646 -0.054,647 -0.175,648 -0.006,649 -0.042,650 -0.083,651 -0.063,652 -0.017,653 -0.108,654 0.029,655 -0.118,656 -0.038,657 -0.116,658 0.048,659 -0.03,660 -0.123,661 0.123,662 0.011,663 0.115,664 -0.147,665 0.11,666 4.886,667 7.061,668 0.684,669 37.837,670 1.005,671 1.128,672 2.056,673 4.229,674 0.658,675 3.784,676 4.22,677 4.585,678 4.927,679 5.136,680 5.288,681 5.46,682 5.583,683 5.7,684 5.756,685 7.343,686 0.622,687 538.73,688 3.784,689 5.398,690 6.319,691 7.263,692 8.199,693 9.146,694 10.087,695 11.034,696 11.978,697 12.926,698 5.6,701 1,704 1,705 2,714 2,715 6,720 2,722 11,736 1,741 72,743 16,744 2,745 43,747 77,748 28,749 10,750 4,751 6,756 6,757 8,763 1,767 8,768 2,770 8,772 13,773 15,774 2,777 5,780 1,782 5,786 3,793 34,794 9,796 10,797 1,802 4,805 1,808 0.667,809 5,825 2,826 1,828 3,829 2,831 1,833 1,844 1,859 4,862 1,864 3,868 38,872 1,876 7,880 5,881 4,893 6.9,896 5,901 20.083,902 13.717,903 8,904 4.693,907 2.446,908 1.273,909 0.986,910 6.328,911 11.415,912 3.998,913 4.61,914 5.166,915 5.722,916 6.205,917 6.499,918 6.897,919 7.215,920 7.508,921 7.491,922 1,923 74,924 14.76,926 7.179,927 0.026,929 7.888,931 27.594,933 25.009,936 2.388,937 90.75,941 400.217,942 128.734,943 10.892,945 119.748,947 5.807,948 122.927,949 519.965,950 10.892,951 25.618,952 23.133,953 62.665,954 133.862,955 14.096,957 400.217,959 400.217,960 133.818,961 119.748,962 5.807,964 329.591,965 190.374,968 33.476,969 100.342,970 5.807,972 400.217,973 130.639,974 128.734,976 5.807,977 400.217,978 40.451,979 93.367,981 119.748,982 400.217,983 130.639,984 128.734,986 0.61,987 0.377,988 0.212,989 0.108,990 37,991 18,992 0.065,993 5,994 2,995 1.154,996 4.492,997 418.604,998 0.154,999 26,1000 191.421,1004 1,1005 25.791,1006 9.324,1007 4.093,1008 1.462,1009 130.639,1010 10.88,1015 1.116,1018 659.591,1019 53.5,1022 -3.969,1024 67.993,1028 -0.576,1031 72.374,1032 81.188,1034 0.263,1035 0.548,1036 0.78,1037 0.887,1038 0.9,1039 0.9,1040 5.332,1041 2.062,1042 6.378,1043 7.191,1044 4.905,1045 5.298,1046 3.088,1047 7.349,1048 4.843,1049 6.575,1050 1.778,1051 8.05,1052 6.593,1053 4.844,1054 5.466,1055 2.632,1056 8.673,1057 4.726,1058 7.946,1059 1.618,1060 9.831,1061 5.574,1062 6.693,1063 7.566,1064 4.074,1065 11.831,1066 6.546,1067 9.356,1068 1.507,1069 11.676,1070 4.447,1071 7.427,1072 8.563,1073 4.226,1074 13.954,1075 7.214,1076 10.804,1077 1.249,1078 13.56,1079 3.738,1080 8.837,1081 10.265,1082 5.282,1083 16.713,1084 8.587,1085 12.279,1086 1.23,1087 15.473,1088 3.329,1089 9.88,1090 11.594,1091 5.696,1092 19.137,1093 9.564,1094 13.776,1095 1.146,1096 17.406,1097 3.057,1098 11.161,1099 13.187,1100 6.574,1101 21.79,1102 10.798,1103 3.609,1104 0.908,1105 19.355,1106 2.868,1107 12.325,1108 14.651,1109 7.12,1110 24.334,1111 11.896,1112 3.444,1113 14.281,1114 21.318,1115 2.236,1116 13.573,1117 16.218,1118 7.909,1119 26.962,1120 13.088,1121 3.097,1122 12.713,1123 23.291,1124 4.897,1125 14.786,1126 17.74,1127 8.525,1128 29.557,1129 14.236,1130 2.952,1131 10.944,1132 25.274,1133 4.313,1134 16.03,1135 19.303,1136 9.269,1137 32.184,1138 15.419,1139 2.743,1140 10.303,1141 27.265,1142 3.669,1143 17.266,1144 20.852,1145 9.923,1146 34.803,1147 16.589,1148 2.425,1149 9.166,1150 29.263,1151 3.314,1152 18.514,1153 22.419,1154 10.644,1155 37.436,1156 17.773,1157 2.22,1158 7.992,1159 31.267,1160 3.082,1161 19.761,1162 23.981,1163 11.319,1164 40.068,1165 18.954,1166 19954,1167 31381,1168 27.975,1169 47.364,1170 68.077,1171 71.868,1172 71.954,1173 67.723,1174 67.674,1175 81.778,1176 15.893,1177 218.189,1178 65.819,1179 6.005,1180 6.752,1181 7.315,1182 5.624,1183 5.609,1184 7.897,1185 3.522,1186 22.993,1187 5.365,1188 23.024,1189 1.583,1190 1.671,1191 1.673,1192 1.575,1193 1.574,1194 1.902,1195 0.37,1196 5.074,1197 1.531,1198 4.192,1199 4.193,1200 4.751,1201 4.169,1202 7.715,1203 4.12,1204 4.039,1205 4.077,1206 3.984,1207 3.895,1208 7.443,1209 3.907,1210 3.92,1211 3.95,1212 3.97,1213 3.823,1214 7.426,1215 3.786,1216 3.844,1217 3.887,1218 3.755,1219 3.735,1220 7.411,1221 3.719,1222 3.643,1223 3.671,1224 3.621,1225 3.537,1226 6.999,1227 3.503,1228 3.468,1229 3.522,1230 3.386,1231 3.314,1232 4.87,1233 3.289,1234 3.43,1235 3.477,1236 3.33,1237 3.273,1238 4.369,1239 3.256,1240 3.364,1241 3.402,1242 3.225,1243 3.198,1244 4.352,1245 3.193,1246 0.116,1247 0.111,1248 0.181,1249 0.106,1250 0.084,1251 5.005,1252 0.114,1253 4.752,1254 0.048,1255 7.793,1256 0.332,1257 4.542,1258 0.078,1259 3.609,1260 4.897,1261 2.049,1262 14.281,1263 3.365,1264 2.104,1265 2.101,1266 2.14,1267 2.153,1268 1.361,1269 2.173,1270 1.729,1271 1.719,1272 1.889,1273 1.915,1274 1.268,1275 1.912,1276 1.658,1277 1.633,1278 1.851,1279 1.833,1280 1.223,1281 1.848,1282 1.62,1283 1.569,1284 1.816,1285 1.808,1286 1.135,1287 1.811,1288 1.588,1289 1.537,1290 1.77,1291 1.761,1292 1.043,1293 1.789,1294 1.486,1295 1.427,1296 1.672,1297 1.71,1298 0.874,1299 1.725,1300 1.386,1301 1.337,1302 1.62,1303 1.612,1304 0.843,1305 1.622,1306 1.373,1307 1.3,1308 1.553,1309 1.536,1310 0.825,1311 1.562,1312 4.466,1313 1.946,1314 5.872,1315 4.263,1316 7.474,1317 6.378,1318 9.166,1319 8.401,1320 10.908,1322 5.623,1328 3.891,1332 -2.088,1333 6.418,1340 44.749,1341 117.045,1342 243.49,1343 346.486,1344 393.97,1345 399.97,1346 399.97,1347 113.197,1348 8.969,1349 98.31,1350 106.69,1351 30,1352 13.417,1353 4.087,1354 3.524,1355 52.976,1356 168,1357 159,1358 0.154,1359 269.866,1360 482.34,1361 650.233,1362 116200,1364 26.93,1365 0.709,1366 0.601,1367 27.18,1368 22.855,1369 18.124,1370 0.421,1371 0.348,1372 13.453,1373 16.69,1374 12.989,1375 10.643,1376 18.913,1377 14.949,1378 17.56,1379 0.262,1380 0.196,1381 18.842,1382 13.143,1383 15.476,1384 0.16,1385 0.108,1386 16.79,1387 10.432,1388 13.665,1389 0.1,1390 0.062,1391 15.05,1392 8.517,1393 10.549,1394 0.062,1395 0.035,1396 11.861,1397 5.971,1398 0.239,1399 121.659,1400 0.189,1401 33.716,1402 0.434,1403 220,1404 614.119,1405 281.163,1406 604.058,1407 821.54,1408 558,1409 277,1410 578.45,1411 351.927,1412 618.067,1413 926.86,1414 582,1415 4}
{0 CHEMBL299898,1 1.374,2 7.8,3 1.893,4 3.584,5 78.309,6 6.759,7 0.571,8 3.749,9 3.87,10 3.233,11 3.276,12 4.821,13 3.236,14 4.274,15 4.466,16 3.567,17 3.638,18 5.319,19 3.583,20 4.526,21 4.712,22 3.589,23 3.826,24 5.488,25 3.722,26 4.686,27 4.941,28 3.616,29 3.866,30 5.544,31 3.743,32 4.69,33 4.905,34 3.58,35 3.906,36 5.658,37 3.777,38 4.727,39 4.995,40 3.446,41 3.858,42 5.656,43 3.688,44 4.574,45 4.843,46 3.055,47 3.596,48 5.534,49 3.402,50 4.233,51 4.57,52 2.72,53 3.177,54 5.015,55 2.97,56 0.024,57 0.53,58 8.926,59 3.816,60 6.336,61 5.167,62 0.232,63 0.853,64 16.16,65 5.846,66 23.351,67 8.243,68 0.235,69 1.046,70 20.869,71 8.099,72 27.575,73 11.026,74 0.186,75 1.19,76 24.911,77 9.342,78 26.362,79 13.319,80 0.321,81 1.183,82 25.095,83 9.447,84 36.64,85 12.918,86 0.19,87 1.198,88 26.024,89 10.157,90 38.873,91 14.383,92 0.28,93 0.956,94 22.998,95 8.465,96 54.313,97 11.654,98 0.147,99 0.663,100 16.398,101 6.073,102 26.113,103 8.828,104 19,105 29,106 0.246,107 0.518,108 0.656,109 0.765,110 0.808,111 0.808,112 3.058,113 0.973,114 -1.24,115 -1.33,116 -1.4,121 42.5,122 1,126 2,127 1,144 9,145 1,146 2,160 1,176 9,179 1,180 3,187 8,189 2,192 2,194 1,200 4,203 4,206 2,214 2,216 3,219 3,221 1,227 6,229 2,232 3,239 8,244 3,251 8,256 3,264 6,269 2,277 3,281 504,282 13.007,283 13.007,284 13.007,285 13.007,286 13.007,287 11.336,288 13.967,289 7.89,290 13.222,291 10.403,292 10.403,293 10.403,294 10.403,295 10.403,296 8.016,297 19.38,298 3.775,299 10.78,300 3.948,301 2.428,302 1.66,303 1.047,304 0.807,305 0.807,306 3.711,310 1,311 1,312 1,313 319,314 3.536,318 138.066,325 1.24,326 13.084,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 42.5,338 156,339 4.586,340 3.808,341 7.41,342 4.365,343 3.442,344 4.021,345 2.443,346 12.942,347 3.18,348 3.928,349 3.624,350 5.805,351 3.554,352 2.593,353 3.455,354 1.26,355 7.998,356 2.505,357 3.692,358 2.744,359 5.273,360 3.331,361 2.362,362 2.924,363 0.286,364 6.661,365 2.259,366 3.411,367 2.492,368 4.644,369 2.999,370 2,371 2.617,372 0.245,373 4.919,374 1.975,375 2.883,376 1.622,377 4.102,378 2.441,379 1.443,380 2.046,382 3.286,383 1.44,384 2.845,385 1.527,386 3.635,387 2.374,388 1.386,389 1.974,391 3.037,392 1.362,393 2.579,394 1.213,395 3.565,396 2.132,397 1.145,398 1.61,400 2.801,401 1.128,402 2.5,403 1,404 3.247,405 2,406 1,407 1.5,409 2.136,410 1,411 1.293,412 0.764,413 3.072,414 0.943,420 1.086,421 0.221,422 2.665,423 0.809,424 -0.152,425 -0.178,427 -0.399,428 -0.146,429 0.652,430 0.144,431 2.373,432 0.197,433 -0.778,434 -0.974,436 -1.963,437 -0.748,438 0.541,439 -0.449,440 2,441 0.1,442 -1,443 -1,445 -2,446 -0.9,447 0.5,448 -0.6,449 2,451 -1,452 -1.256,454 -2.347,455 -0.96,456 0.329,457 -0.801,458 1.758,459 -0.033,460 -1,461 -1.284,463 -2.499,464 -0.964,465 0.248,466 -0.849,467 1.555,468 -0.036,469 -1,470 -1.5,472 -2.545,473 -1,474 9.567,475 0.478,476 0.598,477 0.03,478 26.25,479 1.313,480 14,481 0.7,482 12.25,483 0.613,484 14.263,485 0.713,486 21.933,487 0.548,488 18.776,489 0.939,490 5.555,491 0.278,492 3.933,493 0.197,494 0.192,495 0.042,496 0.209,501 0.768,502 1.429,503 0.873,504 1.202,505 0.621,506 1.071,507 0.882,508 0.927,509 0.867,510 0.842,511 0.447,512 0.827,513 1.198,514 1.233,515 1.206,516 1.187,517 1.059,518 1.201,519 0.804,520 1.01,521 0.86,522 0.956,523 0.465,524 0.915,525 1.31,526 1.064,527 1.231,528 1.089,529 0.968,530 1.144,531 0.725,532 0.993,533 0.963,534 1.059,535 0.916,536 1.041,537 1.378,538 0.93,539 1.171,540 1.004,541 1.948,542 1.064,543 0.61,544 0.607,545 0.584,546 0.643,547 0.527,548 0.619,549 5,550 0.025,551 2.222,552 1.813,553 1.191,554 0.91,555 0.243,556 0.134,557 0.114,558 0.044,559 3289,560 8150,561 1.955,562 50,564 17,568 3,572 1.623,573 1.805,574 2.962,575 -0.836,577 1,579 1,582 54.952,583 1.374,584 2.894,585 3.662,586 4.275,587 4.515,588 4.515,589 2.466,590 3.346,591 4.293,592 3.097,593 588.375,594 7.362,595 5978.2,596 1,597 1,599 1,600 212.877,601 1.619,602 4.225,603 0.238,604 0.012,605 0.077,606 0.065,607 0.041,608 0.034,609 0.011,610 0.01,611 0.01,612 0.007,613 0.504,614 0.83,615 1,616 1.113,617 87.53,618 0.023,619 -0.257,620 0.058,621 -0.124,622 -0.057,623 -0.047,624 0.147,625 0.211,626 0.116,627 0.14,628 0.212,629 0.137,630 -0.08,631 -0.185,632 -0.232,633 -0.179,634 -0.164,635 -0.224,636 0.018,637 -0.019,638 0.105,639 0.012,640 0.084,641 0.063,642 -0.131,643 -0.06,644 -0.244,645 -0.105,646 -0.111,647 -0.18,648 0.011,649 -0.047,650 -0.013,651 -0.084,652 0.044,653 -0.053,654 -0.166,655 -0.046,656 -0.171,657 -0.052,658 -0.267,659 -0.106,660 0.115,661 0.227,662 0.388,663 0.289,664 0.191,665 0.362,666 1.961,667 4.221,668 0.6,669 13.8,670 0.991,671 1.122,672 0.011,674 0.654,675 3.091,676 3.401,677 3.555,678 3.807,679 3.932,680 3.829,681 3.738,682 3.714,683 3.555,684 3.526,685 4.83,686 0.611,687 270.38,688 3.091,689 4.615,690 5.425,691 6.304,692 7.141,693 8.029,694 8.877,695 9.769,696 10.621,697 11.516,698 2.5,712 1,715 9,720 3,722 12,741 40,743 13,744 2,745 21,747 41,748 17,749 12,750 3,751 9,756 2,757 2,763 1,772 13,773 4,777 1,782 1,786 1,789 1,790 1,793 20,794 2,796 3,802 1,803 1,807 1,808 1,809 2,829 2,846 1,859 2,864 3,868 20,876 1,878 1,883 1,893 5,896 1,898 1,901 11.083,902 8.083,903 4.403,904 2.361,907 2.261,908 1.368,909 0.917,910 4.331,911 8.406,912 3.367,913 3.912,914 4.35,915 4.879,916 5.334,917 5.252,918 5.446,919 5.668,920 5.792,921 6.09,922 1,923 28,924 7.362,926 2.96,927 0.026,929 7.708,931 14.129,933 11.046,936 2.208,937 44.167,938 0.001,941 235.422,942 131.387,945 36.145,948 131.387,949 271.567,951 25.618,952 2.106,953 85.286,954 32.336,955 22.186,957 235.422,959 235.422,960 131.387,961 36.145,964 235.422,965 36.145,968 10.931,969 120.456,972 235.422,973 36.145,974 131.387,977 235.422,978 20.483,979 110.904,981 36.145,982 235.422,983 36.145,984 131.387,986 0.577,987 0.309,988 0.174,989 0.097,990 13,991 6,992 0.122,993 5,995 1,996 3.124,997 143.799,999 12,1000 76.439,1005 14.448,1006 5.995,1007 3.769,1009 36.145,1010 17.973,1015 2.864,1018 402.954,1019 28,1024 11.221,1028 -0.294,1031 39.651,1032 44.862,1034 0.258,1035 0.544,1036 0.688,1037 0.803,1038 0.848,1039 0.848,1040 4.585,1041 1,1042 5.451,1043 2.801,1044 4.078,1045 4.595,1046 2.603,1047 6.297,1048 3.999,1049 5.801,1051 7.038,1052 2.136,1053 3.892,1054 4.35,1055 2.394,1056 7.609,1057 3.7,1058 7.111,1059 -0.152,1060 8.755,1062 5.753,1063 6.7,1064 3.9,1065 10.651,1066 5.544,1067 8.458,1068 -0.778,1069 10.558,1070 -0.399,1071 6.382,1072 7.185,1073 4.31,1074 12.808,1075 6.032,1076 9.838,1077 -1,1078 12.418,1079 -1.963,1080 7.812,1081 9.085,1082 5.503,1083 15.501,1084 7.437,1085 11.243,1086 -1,1087 14.317,1088 -2,1089 8.796,1090 9.943,1091 6.169,1092 17.931,1093 8.286,1094 12.669,1095 -1,1096 16.245,1097 -2.347,1098 10.082,1099 11.621,1100 7.213,1101 20.531,1102 9.524,1103 3.442,1104 -1,1105 18.192,1106 -2.499,1107 11.215,1108 12.693,1109 7.995,1110 23.048,1111 10.54,1112 2.593,1113 12.942,1114 20.154,1115 -2.545,1116 12.457,1117 14.245,1118 8.964,1119 25.622,1120 11.717,1121 2.362,1122 7.998,1123 22.126,1124 4.021,1125 13.65,1126 15.444,1127 9.802,1128 28.167,1129 12.808,1130 2,1131 6.661,1132 24.106,1133 3.455,1134 14.882,1135 16.923,1136 10.734,1137 30.732,1138 13.966,1139 1.443,1140 4.919,1141 26.091,1142 2.924,1143 16.099,1144 18.199,1145 11.6,1146 33.287,1147 15.091,1148 1.386,1149 3.286,1150 28.081,1151 2.617,1152 17.331,1153 19.637,1154 12.512,1155 35.849,1156 16.244,1157 1.145,1158 3.037,1159 30.074,1160 2.046,1161 18.558,1162 20.958,1163 13.391,1164 38.408,1165 17.385,1166 3389,1167 5417,1168 13.405,1169 26.148,1170 31.512,1171 31.517,1172 31.794,1173 30.851,1174 30.743,1175 40.296,1176 8.467,1177 87.56,1178 29.699,1179 5.428,1180 5.808,1181 7.211,1182 5.391,1183 5.442,1184 7.021,1185 4.174,1186 20.757,1187 5.18,1188 10.409,1189 1.501,1190 1.501,1191 1.514,1192 1.469,1193 1.464,1194 1.919,1195 0.403,1196 4.17,1197 1.414,1198 4.025,1199 4.068,1200 3.961,1201 3.916,1202 7.434,1203 3.92,1204 3.86,1205 3.887,1206 3.791,1207 3.797,1208 4.836,1209 3.792,1210 3.57,1211 3.638,1212 3.449,1213 3.362,1214 4.736,1215 3.368,1216 3.483,1217 3.515,1218 3.374,1219 3.249,1220 4.244,1221 3.274,1222 2.983,1223 3.063,1224 2.803,1225 2.849,1226 4.206,1227 2.828,1228 2.874,1229 3.009,1230 2.714,1231 2.735,1232 3.674,1233 2.715,1234 2.861,1235 2.925,1236 2.687,1237 2.715,1238 3.657,1239 2.705,1240 2.854,1241 2.917,1242 2.563,1243 2.618,1244 3.652,1245 2.579,1246 0.218,1247 0.181,1248 0.353,1249 0.208,1250 0.164,1251 4.586,1252 0.191,1253 3.808,1254 0.116,1255 7.41,1256 0.616,1257 4.365,1258 0.151,1259 3.442,1260 4.021,1261 2.443,1262 12.942,1263 3.18,1264 1.97,1265 1.935,1266 2.095,1267 2.113,1268 1.31,1269 2.11,1270 1.863,1271 1.837,1272 1.985,1273 1.951,1274 1.068,1275 1.964,1276 1.534,1277 1.457,1278 1.784,1279 1.76,1280 0.881,1281 1.769,1282 1.405,1283 1.366,1284 1.683,1285 1.661,1286 0.692,1287 1.664,1288 1.017,1289 0.943,1290 1.417,1291 1.239,1292 0.512,1293 1.308,1294 0.934,1295 0.821,1296 1.35,1297 1.218,1298 0.469,1299 1.268,1300 0.886,1301 0.804,1302 1.181,1303 1.066,1304 0.218,1305 1.107,1306 0.857,1307 0.802,1308 1.132,1309 1.062,1310 0.184,1311 1.083,1312 3.761,1314 5.069,1316 6.572,1318 8.168,1320 9.815,1322 5.638,1328 0.832,1330 5.315,1335 0.619,1340 24.456,1341 54.952,1342 115.765,1343 146.473,1344 171.003,1345 180.612,1346 180.612,1347 31.678,1348 6.144,1349 26.3,1350 26.3,1351 12,1352 12.05,1353 3.807,1354 3,1355 36.163,1356 56,1357 56,1358 0.32,1359 154.812,1360 267.56,1361 369.502,1362 3046,1364 14.588,1365 0.729,1366 0.611,1367 14.588,1368 12.22,1369 9.488,1370 0.452,1371 0.324,1372 6.712,1373 9.149,1374 6.423,1375 5.443,1376 9.488,1377 6.808,1378 8.977,1379 0.31,1380 0.194,1381 8.977,1382 5.636,1383 6.227,1384 0.183,1385 0.099,1386 6.227,1387 3.359,1388 5.411,1389 0.123,1390 0.056,1391 5.411,1392 2.471,1393 4.074,1394 0.081,1395 0.031,1396 4.074,1397 1.552,1398 0.482,1399 59.143,1400 0.273,1401 19.678,1402 0.937,1403 100,1404 265.804,1405 108.974,1406 257.537,1407 348.75,1408 240,1409 113,1410 256.163,1411 122.035,1412 260.242,1413 371.41,1414 243,1415 5}
{0 CHEMBL300143,1 1.455,2 10.308,3 4.413,4 19.476,5 103.215,6 6.892,7 0.414,8 4.025,9 4.151,10 3.539,11 3.548,12 5.046,13 3.518,14 4.601,15 4.794,16 3.963,17 3.987,18 5.593,19 3.942,20 4.849,21 5.031,22 4.048,23 4.193,24 5.78,25 4.113,26 5.066,27 5.321,28 3.944,29 4.22,30 5.944,31 4.096,32 5.003,33 5.255,34 3.772,35 4.072,36 5.955,37 3.925,38 4.883,39 5.18,40 3.526,41 3.782,42 5.766,43 3.649,44 4.36,45 4.565,46 3.476,47 3.574,48 5.405,49 3.503,50 4.362,51 4.562,52 3.41,53 3.576,54 5.478,55 3.498,56 0.032,57 0.747,58 11.558,59 4.727,60 8.704,61 6.551,62 0.396,63 1.247,64 22.182,65 7.844,66 33.043,67 11.306,68 0.172,69 1.565,70 27.978,71 10.619,72 25.635,73 14.996,74 0.347,75 1.784,76 36.721,77 12.268,78 41.935,79 18.164,80 0.315,81 1.535,82 34.751,83 12.518,84 53.037,85 17.729,86 0.552,87 1.199,88 32.969,89 10.302,90 63.198,91 14.518,92 0.265,93 0.852,94 18.047,95 6.378,96 27.654,97 8.68,98 0.336,99 0.876,100 18.216,101 5.899,102 39.973,103 8.127,104 26,105 44,106 0.245,107 0.577,108 0.782,109 0.867,110 0.88,111 0.88,112 3.305,113 0.933,114 -4.53,115 -4.46,116 -4.2,121 41.2,122 2,123 1,125 1,126 2,127 1,130 1,144 7,145 2,146 3,161 1,176 10,179 2,180 7,183 2,185 2,187 11,192 8,197 3,200 9,206 9,211 3,214 4,218 1,219 11,224 2,227 2,231 1,232 3,237 1,239 4,243 1,244 2,247 1,249 2,251 10,255 1,259 1,264 10,269 2,277 9,281 916,282 17.187,283 17.187,284 17.187,285 17.187,286 17.187,287 15.567,288 25.391,289 9.728,290 17.546,291 14.261,292 14.261,293 14.261,294 14.261,295 14.261,296 11.799,297 35.698,298 4.577,299 14.84,300 4.217,301 2.251,302 1.033,303 0.53,304 0.451,305 0.451,306 3.995,311 1,312 1,313 588,314 3.464,317 99.71,318 140.056,320 80.476,321 85.259,324 119.323,325 1.515,326 18.263,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 55.5,338 268,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 4.19,349 3.679,350 6.211,351 3.814,352 2.842,353 3.788,354 0.966,355 8.84,356 2.765,357 3.969,358 2.913,359 6.169,360 3.622,361 2.662,362 3.314,363 0.693,364 8.696,365 2.552,366 3.654,367 2.81,368 6.054,369 3.383,370 2.445,371 2.869,372 0.366,373 8.453,374 2.281,375 3.465,376 2.742,377 5.435,378 3.272,379 2.337,380 2.592,382 7.121,383 2.17,384 3.295,385 2.501,386 4.856,387 2.937,388 1.969,389 2.423,391 5.405,392 1.889,393 2.875,394 1.747,395 4.698,396 2.441,397 1.493,398 2.039,400 4.387,401 1.414,402 2.806,403 1.669,404 4.216,405 2.414,406 1.414,407 1.915,409 3.552,410 1.411,411 2.615,412 1.472,413 4.081,414 2.347,415 1.361,416 1.629,418 3.06,419 1.334,420 2.517,421 1.171,422 3.722,423 2.127,424 1.133,425 1.521,427 2.958,428 1.126,429 1.785,430 0.933,431 3.595,432 1.695,433 0.73,434 0.761,436 1.822,437 0.702,438 1.415,439 0.744,440 3.088,441 1.129,442 0.181,443 0.212,445 0.445,446 0.169,447 1.228,448 0.483,449 2.987,450 0.856,451 -0.107,452 -0.131,454 -0.264,455 -0.102,456 0.787,457 -0.008,458 2.621,459 0.64,460 -0.301,461 -0.311,463 -0.744,464 -0.282,465 0.762,466 -0.046,467 2.427,468 0.41,469 -0.579,470 -0.701,472 -1.387,473 -0.562,474 12.367,475 0.476,476 0.86,477 0.033,478 32.25,479 1.24,480 15,481 0.577,482 17.25,483 0.663,484 23.669,485 0.91,486 28.433,487 0.558,488 23.546,489 0.906,490 6.204,491 0.239,492 6.194,493 0.238,494 0.189,495 0.04,496 0.348,501 0.812,502 1.438,503 0.842,504 1.17,505 0.638,506 1.03,507 0.706,508 0.871,509 0.783,510 0.771,511 0.396,512 0.769,513 1.006,514 1.396,515 1.082,516 1.256,517 0.725,518 1.192,519 1.04,520 0.997,521 1.089,522 1.027,523 0.694,524 1.04,525 1.07,526 1.159,527 1.071,528 1.245,529 1.23,530 1.178,531 1.757,532 0.569,533 0.85,534 0.576,535 1.736,536 0.613,537 1.497,538 1.002,539 1.004,540 0.982,541 1.542,542 0.956,543 1.862,544 0.922,545 1.301,546 0.944,547 2.644,548 1.041,549 6.5,550 0.183,551 4.222,552 3.646,553 1.668,554 0.764,555 0.612,556 0.3,557 0.286,558 0.246,559 8004,560 17242,561 2.069,562 49,563 6,564 15,565 1,567 1,569 2,572 1.689,573 1.891,574 3.291,575 -0.37,577 1,582 74.204,583 1.455,584 3.422,585 4.64,586 5.143,587 5.221,588 5.221,589 2.68,590 4.47,591 4.675,592 3.472,593 1128.55,594 8.088,595 13902.9,597 1,599 1,600 289.294,601 1.693,602 4.603,603 0.224,604 0.009,605 0.096,606 0.079,607 0.043,608 0.025,609 0.024,610 0.012,611 0.012,612 0.012,613 0.537,614 0.5,615 1,616 0.638,617 126.54,618 -0.003,619 -0.221,620 0.075,621 -0.08,622 -0.053,623 -0.007,624 0.288,625 0.283,626 0.187,627 0.23,628 0.248,629 0.205,630 -0.083,631 -0.293,632 -0.136,633 -0.221,634 -0.023,635 -0.194,636 -0.109,637 0.031,638 -0.109,639 -0.075,640 0.046,641 -0.079,642 0.037,643 -0.238,644 -0.081,645 -0.262,646 0.016,647 -0.196,648 -0.093,649 0.231,650 0.228,651 0.341,652 -0.11,653 0.323,654 0.005,655 -0.014,656 0.018,657 0.012,658 -0.035,659 0.007,660 -0.211,661 0.132,662 -0.262,663 0.013,664 -0.325,665 -0.116,666 2.129,667 5.306,668 0.692,669 21.189,670 0.994,671 1.127,672 3.302,673 10.901,674 0.653,675 3.401,676 3.807,677 4.143,678 4.477,679 4.673,680 4.727,681 4.905,682 4.977,683 4.984,684 5.056,685 6.137,686 0.614,687 351.49,688 3.401,689 4.99,690 5.883,691 6.815,692 7.73,693 8.669,694 9.597,695 10.542,696 11.479,697 12.428,698 5.9,701 1,704 1,705 1,715 7,720 5,722 12,736 1,737 1,741 51,743 13,744 2,745 29,747 54,748 21,749 12,750 5,751 7,756 4,757 7,763 2,764 1,766 1,767 1,770 1,772 13,773 8,777 1,782 1,786 1,790 1,793 25,794 5,795 1,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 4,868 26,876 2,877 1,878 1,880 1,881 2,882 1,893 3.9,896 1,898 1,901 13.75,902 10.4,903 5.514,904 3.024,907 2.186,908 1.286,909 0.967,910 4.204,911 9.832,912 3.611,913 4.205,914 4.736,915 5.284,916 5.764,917 5.905,918 6.237,919 6.504,920 6.633,921 6.831,922 0.857,923 46,924 9.639,926 4.146,927 0.026,929 7.599,931 18.778,933 15.981,936 2.099,937 54.583,939 1,940 1,941 282.506,942 129.308,943 24.259,945 36.145,948 129.308,949 318.651,950 24.259,951 34.443,952 22.651,953 66.334,954 25.145,955 34.377,956 18.534,957 270.735,959 282.506,960 153.567,961 36.145,964 258.964,965 59.687,968 43.426,969 110.141,972 282.506,973 60.404,974 129.308,977 282.506,978 28.531,979 107.026,980 18.011,981 36.145,982 282.506,983 60.404,984 129.308,986 0.603,987 0.367,988 0.205,989 0.107,990 24,991 11,992 0.056,993 3,994 2,995 1.222,996 3.705,997 230.381,998 0.222,999 18,1000 120.211,1005 17.379,1006 6.289,1007 2.812,1009 60.404,1010 13.624,1015 4.832,1017 18.011,1018 472.218,1019 36,1024 12.306,1028 -0.462,1031 50.68,1032 57.481,1034 0.256,1035 0.603,1036 0.818,1037 0.907,1038 0.92,1039 0.92,1040 4.913,1041 1.414,1042 5.938,1043 4.387,1044 4.489,1045 4.89,1046 2.466,1047 6.884,1048 4.414,1049 6.141,1050 1.361,1051 7.59,1052 3.552,1053 4.369,1054 4.808,1055 1.905,1056 8.26,1057 4.268,1058 7.484,1059 1.133,1060 9.361,1061 3.06,1062 6.248,1063 7.028,1064 3.531,1065 11.429,1066 6.112,1067 8.863,1068 0.73,1069 11.207,1070 2.958,1071 6.957,1072 7.703,1073 3.612,1074 13.709,1075 6.808,1076 10.279,1077 0.181,1078 13.107,1079 1.822,1080 8.401,1081 9.476,1082 4.913,1083 16.532,1084 8.227,1085 11.721,1086 -0.107,1087 15.046,1088 0.445,1089 9.469,1090 10.504,1091 5.293,1092 19.127,1093 9.285,1094 13.186,1095 -0.301,1096 17.016,1097 -0.264,1098 10.792,1099 12.094,1100 6.388,1101 21.876,1102 10.589,1103 3.737,1104 -0.579,1105 19.011,1106 -0.744,1107 12.007,1108 13.302,1109 6.931,1110 24.565,1111 11.791,1112 2.842,1113 15.306,1114 21.025,1115 -1.387,1116 13.308,1117 14.805,1118 7.902,1119 27.298,1120 13.073,1121 2.662,1122 8.84,1123 23.053,1124 4.206,1125 14.581,1126 16.108,1127 8.539,1128 30.015,1129 14.33,1130 2.445,1131 8.696,1132 25.094,1133 3.788,1134 15.884,1135 17.57,1136 9.436,1137 32.744,1138 15.613,1139 2.337,1140 8.453,1141 27.143,1142 3.314,1143 17.182,1144 18.925,1145 10.13,1146 35.469,1147 16.892,1148 1.969,1149 7.121,1150 29.2,1151 2.869,1152 18.49,1153 20.366,1154 10.981,1155 38.197,1156 18.18,1157 1.493,1158 5.405,1159 31.262,1160 2.592,1161 19.798,1162 21.752,1163 11.71,1164 40.925,1165 19.468,1166 7610,1167 11308,1168 18.898,1169 33.302,1170 45.042,1171 45.892,1172 47.433,1173 44.617,1174 44.606,1175 54.536,1176 8.422,1177 140.088,1178 42.94,1179 5.797,1180 5.973,1181 7.693,1182 5.805,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 14.249,1189 1.553,1190 1.582,1191 1.636,1192 1.539,1193 1.538,1194 1.881,1195 0.29,1196 4.831,1197 1.481,1198 4.093,1199 4.131,1200 4.04,1201 3.996,1202 7.435,1203 4.002,1204 3.926,1205 3.96,1206 3.864,1207 3.855,1208 4.843,1209 3.852,1210 3.699,1211 3.742,1212 3.616,1213 3.563,1214 4.746,1215 3.566,1216 3.398,1217 3.439,1218 3.337,1219 3.114,1220 4.445,1221 3.158,1222 3.272,1223 3.362,1224 3.101,1225 3.048,1226 4.143,1227 3.043,1228 3.227,1229 3.31,1230 3.036,1231 3.028,1232 3.938,1233 3.014,1234 3.169,1235 3.256,1236 2.962,1237 2.984,1238 3.898,1239 2.986,1240 2.976,1241 3.093,1242 2.709,1243 2.761,1244 3.876,1245 2.727,1246 0.167,1247 0.137,1248 0.276,1249 0.163,1250 0.129,1251 4.832,1252 0.145,1253 3.973,1254 0.075,1255 8.006,1256 0.528,1257 4.714,1258 0.126,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.919,1265 1.894,1266 2.036,1267 2.022,1268 1.31,1269 2.025,1270 1.897,1271 1.873,1272 2.002,1273 1.979,1274 1.135,1275 1.988,1276 1.633,1277 1.577,1278 1.832,1279 1.836,1280 1.057,1281 1.837,1282 1.534,1283 1.453,1284 1.787,1285 1.754,1286 1.012,1287 1.774,1288 1.255,1289 1.205,1290 1.58,1291 1.565,1292 0.644,1293 1.546,1294 1.209,1295 1.128,1296 1.553,1297 1.444,1298 0.604,1299 1.47,1300 1.147,1301 1.077,1302 1.453,1303 1.418,1304 0.563,1305 1.434,1306 1.014,1307 0.899,1308 1.312,1309 1.291,1310 0.347,1311 1.353,1312 4.078,1314 5.46,1315 3.045,1316 7.038,1317 5.638,1318 8.712,1319 7.921,1320 10.443,1322 8.576,1328 2.175,1329 2.818,1330 5.572,1332 0.355,1333 4.727,1334 0.06,1340 31.289,1341 74.204,1342 174.504,1343 236.623,1344 262.274,1345 266.274,1346 266.274,1347 38.752,1348 7.645,1349 44.81,1350 44.81,1351 22,1352 12.92,1353 3.807,1354 3,1355 38.2,1356 97,1357 90,1358 0.196,1359 190.52,1360 332.72,1361 456.628,1362 21498,1364 18.474,1365 0.711,1366 0.606,1367 18.474,1368 15.744,1369 12.398,1370 0.428,1371 0.311,1372 8.897,1373 11.945,1374 8.514,1375 7.113,1376 12.398,1377 9.021,1378 11.955,1379 0.272,1380 0.174,1381 11.955,1382 7.641,1383 10.344,1384 0.167,1385 0.095,1386 10.344,1387 5.894,1388 9.161,1389 0.105,1390 0.053,1391 9.161,1392 4.574,1393 7.141,1394 0.067,1395 0.028,1396 7.141,1397 3.006,1398 0.307,1399 77.47,1400 0.23,1401 24.921,1402 0.541,1403 146,1404 367.094,1405 159.359,1406 356.156,1407 497.69,1408 334,1409 179,1410 380.092,1411 192.808,1412 387.871,1413 572.96,1414 362,1415 7.987}
{0 CHEMBL300170,1 1.337,2 13.933,3 3.988,4 15.903,5 119.829,6 6.743,7 0.563,8 4.152,9 4.269,10 3.634,11 3.694,12 5.208,13 3.651,14 4.691,15 4.877,16 3.95,17 4.072,18 5.642,19 4.013,20 4.922,21 5.103,22 4.055,23 4.274,24 5.918,25 4.174,26 5.115,27 5.353,28 3.978,29 4.314,30 6.024,31 4.173,32 5.12,33 5.373,34 3.891,35 4.286,36 6.022,37 4.124,38 5.027,39 5.297,40 3.792,41 4.176,42 5.922,43 4.012,44 4.852,45 5.097,46 3.636,47 4.037,48 5.757,49 3.884,50 4.79,51 5.065,52 3.5,53 3.922,54 5.585,55 3.747,56 0.041,57 0.778,58 13.456,59 5.942,60 10.723,61 7.916,62 0.243,63 1.268,64 24.61,65 9.342,66 21.616,67 12.69,68 0.291,69 1.576,70 30.608,71 12.667,72 36.435,73 17.193,74 0.304,75 1.825,76 38.16,77 14.968,78 50.842,79 20.786,80 0.422,81 1.799,82 38.668,83 15.244,84 58.97,85 21.265,86 0.371,87 1.633,88 35.271,89 13.913,90 55.487,91 19.66,92 0.279,93 1.374,94 29.518,95 11.608,96 45.39,97 16.014,98 0.271,99 1.274,100 27.851,101 11.027,102 36.329,103 15.562,104 30,105 44,106 0.217,107 0.49,108 0.669,109 0.78,110 0.803,111 0.809,112 3.44,113 0.967,114 -1.91,115 -1.96,116 -1.97,121 43.3,123 2,126 4,127 1,144 12,145 3,146 3,159 1,176 15,180 4,187 16,189 3,191 1,192 7,200 13,203 4,206 4,214 8,216 3,218 1,219 3,227 11,229 2,231 1,232 4,239 16,241 1,244 2,251 15,256 3,258 1,264 9,266 1,269 4,277 5,279 2,281 1512,282 20.126,283 20.126,284 20.126,285 20.126,286 20.126,287 17.874,288 23.58,289 11.821,290 20.566,291 15.642,292 15.642,293 15.642,294 15.642,295 15.642,296 12.16,297 28.148,298 5.421,299 16.171,300 4.57,301 2.885,302 1.78,303 1.096,304 0.95,305 0.917,306 4.119,311 1,312 1,313 878,314 4.123,318 355.089,325 2.147,326 21.36,329 1,330 1,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.88,337 63.5,338 418,339 4.505,340 3.746,341 7.308,342 4.314,343 3.392,344 3.97,345 1.277,346 12.508,347 3.13,348 4.325,349 3.61,350 6.238,351 3.941,352 2.96,353 3.869,354 1.26,355 9.347,356 2.922,357 3.928,358 3.16,359 5.89,360 3.591,361 2.605,362 3.453,363 0.86,364 8.101,365 2.552,366 3.868,367 2.718,368 5.436,369 3.485,370 2.491,371 3.24,372 0.86,373 7.137,374 2.462,375 3.753,376 2.587,377 5.307,378 3.379,379 2.386,380 3.129,381 0.245,382 6.809,383 2.364,384 3.034,385 2.197,386 4.715,387 2.679,388 1.697,389 2.198,391 4.843,392 1.663,393 2.919,394 1.936,395 4.404,396 2.523,397 1.612,398 2.058,400 4.2,401 1.463,402 2.87,403 1.819,404 4.154,405 2.449,406 1.443,407 1.965,409 3.689,410 1.446,411 2.795,412 1.502,413 3.611,414 2.371,415 1.372,416 1.871,418 3.025,419 1.366,420 2.5,421 1.074,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1.031,431 3.247,432 2,433 1,434 1.5,436 2.136,437 1,438 1.894,439 1,440 3.21,441 1.628,442 0.699,443 0.811,445 1.377,446 0.639,447 1.776,448 1,449 3.052,450 1.466,451 0.481,452 0.579,454 0.983,455 0.469,456 1.451,457 0.934,458 2.932,459 1.178,460 0.317,461 0.35,463 0.428,464 0.271,465 1.119,466 0.227,467 2.621,468 0.861,469 -0.115,470 -0.134,472 -0.304,473 -0.111,474 14.4,475 0.48,476 0.748,477 0.025,478 38.75,479 1.292,480 20.5,481 0.683,482 18.25,483 0.608,484 24.764,485 0.825,486 32.7,487 0.545,488 30.808,489 1.027,490 8.094,491 0.27,492 6.33,493 0.211,494 0.162,495 0.028,496 0.243,501 0.795,502 1.339,503 0.879,504 1.179,505 0.64,506 1.057,507 1.313,508 0.854,509 0.946,510 0.794,511 0.751,512 0.807,513 0.872,514 1.26,515 1.101,516 1.226,517 0.989,518 1.195,519 0.962,520 1.094,521 1.055,522 1.089,523 1.146,524 1.082,525 0.836,526 1.021,527 1.028,528 1.04,529 0.861,530 1.056,531 0.648,532 0.918,533 0.894,534 0.945,535 0.875,536 0.947,537 1.072,538 0.987,539 1.09,540 1.016,541 1.429,542 1.051,543 0.699,544 0.922,545 0.91,546 0.948,547 0.954,548 0.957,549 7,550 0.14,551 4,552 1.875,553 1.747,554 1.271,555 0.425,556 0.288,557 0.336,558 0.203,559 12882,560 29894,561 2.004,562 50,563 2,564 26,568 2,572 1.722,573 1.865,574 3.74,575 -0.858,577 1,582 80.24,583 1.337,584 3.022,585 4.127,586 4.811,587 4.957,588 4.99,589 3.219,590 4.215,591 4.879,592 3.926,593 1707.88,594 8.474,595 25219,597 1,600 354.413,601 1.549,602 4.824,603 0.219,604 0.006,605 0.091,606 0.041,607 0.043,608 0.034,609 0.013,610 0.01,611 0.013,612 0.008,613 0.477,614 0.5,615 1,616 0.855,617 158.129,618 0.025,619 -0.185,620 0.062,621 -0.093,622 -0.024,623 -0.026,624 -0.146,625 0.255,626 0.054,627 0.205,628 -0.016,629 0.166,630 0.056,631 -0.198,632 -0.14,633 -0.193,634 -0.01,635 -0.191,636 -0.054,637 -0.095,638 -0.082,639 -0.101,640 -0.066,641 -0.095,642 0.041,643 -0.052,644 -0.057,645 -0.054,646 0.043,647 -0.066,648 0.109,649 0.042,650 0.07,651 0.035,652 0.131,653 0.047,654 -0.109,655 -0.013,656 -0.112,657 -0.029,658 -0.131,659 -0.065,660 0.062,661 0.022,662 0.054,663 0.031,664 -0.036,665 0.038,666 1.569,667 5.616,668 0.6,669 33.253,670 0.99,671 1.119,672 0.677,673 0.458,674 0.657,675 3.497,676 3.807,677 4.025,678 4.19,679 4.369,680 4.369,681 4.369,682 4.317,683 4.407,684 4.431,685 8.073,686 0.613,687 404.57,688 3.497,689 5.03,690 5.861,691 6.725,692 7.571,693 8.438,694 9.289,695 10.158,696 11.011,697 11.881,698 1.7,712 1,715 12,720 6,722 18,727 1,739 2,741 60,743 19,744 3,745 32,747 62,748 26,749 18,750 6,751 12,752 1,756 3,757 3,770 2,772 19,773 7,777 1,782 1,786 1,790 1,793 30,794 3,796 4,802 1,803 1,807 1,808 1,809 3,829 3,859 3,864 4,868 30,876 3,878 2,883 1,893 5,896 1,898 2,901 16.083,902 12,903 6.764,904 3.507,907 2.988,908 1.412,909 0.937,910 7.172,911 10.242,912 3.761,913 4.324,914 4.846,915 5.318,916 5.823,917 5.875,918 6.044,919 6.087,920 6.415,921 6.692,922 1,923 46,924 11.085,926 4.514,927 0.026,929 7.622,931 21.449,933 17.072,936 2.122,937 63.667,939 1,940 1,941 353.133,942 187.382,945 47.145,948 187.382,949 400.278,951 38.559,952 7.175,953 113.715,954 30.278,955 44.8,957 353.133,959 353.133,960 187.382,961 47.145,964 353.133,965 47.145,968 7.175,969 180.208,972 353.133,973 47.145,974 187.382,977 353.133,978 35.109,979 152.274,981 47.145,982 353.133,983 47.145,984 187.382,986 0.577,987 0.34,988 0.171,989 0.091,990 19,991 9,992 0.145,993 9,995 1,996 4.175,997 248.724,999 18,1000 137.207,1005 21.918,1006 9.816,1007 5.65,1009 47.145,1010 24.409,1015 5.56,1018 587.66,1019 42,1024 12.616,1028 0.097,1031 59.396,1032 67.147,1034 0.226,1035 0.512,1036 0.699,1037 0.814,1038 0.839,1039 0.845,1040 4.987,1041 1.443,1042 5.866,1043 4.2,1044 4.489,1045 5.011,1046 2.271,1047 6.686,1048 4.429,1049 6.196,1050 1.372,1051 7.444,1052 3.689,1053 4.205,1054 4.771,1055 0.931,1056 7.861,1057 4.072,1058 7.506,1059 1,1060 9.136,1061 3.025,1062 6.142,1063 7.155,1064 2.428,1065 10.858,1066 6.006,1067 8.853,1068 1,1069 10.902,1070 2.275,1071 6.686,1072 7.673,1073 1.381,1074 12.881,1075 6.448,1076 10.23,1077 0.699,1078 12.716,1079 2.136,1080 8.127,1081 9.558,1082 2.737,1083 15.5,1084 7.878,1085 11.629,1086 0.481,1087 14.566,1088 1.377,1089 9.031,1090 10.431,1091 1.783,1092 17.838,1093 8.672,1094 13.044,1095 0.317,1096 16.443,1097 0.983,1098 10.297,1099 12.085,1100 3.126,1101 20.37,1102 9.906,1103 3.392,1104 -0.115,1105 18.34,1106 0.428,1107 11.363,1108 13.152,1109 2.192,1110 22.823,1111 10.866,1112 2.96,1113 12.508,1114 20.253,1115 -0.304,1116 12.573,1117 14.682,1118 3.559,1119 25.341,1120 12.021,1121 2.605,1122 9.347,1123 22.18,1124 3.97,1125 13.712,1126 15.863,1127 2.615,1128 27.837,1129 13.06,1130 2.491,1131 8.101,1132 24.118,1133 3.869,1134 14.908,1135 17.323,1136 4.015,1137 30.355,1138 14.186,1139 2.386,1140 7.137,1141 26.064,1142 3.453,1143 16.082,1144 18.574,1145 3.05,1146 32.868,1147 15.265,1148 1.697,1149 6.809,1150 28.018,1151 3.24,1152 17.279,1153 19.994,1154 4.483,1155 35.389,1156 16.383,1157 1.612,1158 4.843,1159 29.978,1160 3.129,1161 18.471,1162 21.288,1163 3.495,1164 37.909,1165 17.482,1166 12569,1167 19297,1168 20.86,1169 39.409,1170 47.485,1171 48.333,1172 48.836,1173 46.884,1174 46.908,1175 60.988,1176 9.005,1177 133.718,1178 45.493,1179 5.38,1180 5.746,1181 7.11,1182 5.317,1183 5.392,1184 6.97,1185 2.555,1186 19.847,1187 5.13,1188 16.32,1189 1.484,1190 1.51,1191 1.526,1192 1.465,1193 1.466,1194 1.906,1195 0.281,1196 4.179,1197 1.422,1198 4.044,1199 4.086,1200 3.976,1201 3.95,1202 7.427,1203 3.951,1204 3.938,1205 3.954,1206 3.889,1207 3.853,1208 4.923,1209 3.857,1210 3.866,1211 3.895,1212 3.794,1213 3.811,1214 4.787,1215 3.804,1216 3.628,1217 3.692,1218 3.513,1219 3.451,1220 4.705,1221 3.457,1222 3.454,1223 3.492,1224 3.353,1225 3.271,1226 4.496,1227 3.28,1228 3.247,1229 3.314,1230 3.051,1231 2.978,1232 4.273,1233 2.981,1234 3.208,1235 3.282,1236 3.016,1237 2.948,1238 4.222,1239 2.956,1240 2.984,1241 3.063,1242 2.814,1243 2.848,1244 3.784,1245 2.828,1246 0.141,1247 0.117,1248 0.228,1249 0.135,1250 0.106,1251 4.505,1252 0.124,1253 3.746,1254 0.04,1255 7.308,1256 0.391,1257 4.314,1258 0.098,1259 3.392,1260 3.97,1261 1.277,1262 12.508,1263 3.13,1264 1.99,1265 1.955,1266 2.114,1267 2.119,1268 1.332,1269 2.121,1270 1.911,1271 1.893,1272 2.028,1273 2.016,1274 1.216,1275 2.015,1276 1.87,1277 1.846,1278 1.974,1279 1.954,1280 1.078,1281 1.966,1282 1.6,1283 1.535,1284 1.83,1285 1.803,1286 0.994,1287 1.817,1288 1.412,1289 1.363,1290 1.653,1291 1.623,1292 0.798,1293 1.63,1294 1.192,1295 1.117,1296 1.576,1297 1.523,1298 0.574,1299 1.539,1300 1.182,1301 1.107,1302 1.549,1303 1.455,1304 0.573,1305 1.49,1306 1.017,1307 0.943,1308 1.417,1309 1.239,1310 0.512,1311 1.308,1312 4.174,1314 5.485,1316 6.995,1318 8.587,1320 10.219,1322 7.583,1328 2.092,1330 10.537,1335 0.773,1340 36.804,1341 80.24,1342 181.316,1343 247.619,1344 288.639,1345 297.394,1346 299.394,1347 58.412,1348 7.255,1349 35.53,1350 35.53,1351 18,1352 12.427,1353 4.322,1354 3.459,1355 55.771,1356 148,1357 128,1358 0.183,1359 228.964,1360 400.87,1361 550.432,1362 14592,1364 21.562,1365 0.719,1366 0.609,1367 21.562,1368 18.274,1369 14.424,1370 0.451,1371 0.322,1372 10.162,1373 13.918,1374 9.748,1375 8.219,1376 14.424,1377 10.313,1378 12.879,1379 0.293,1380 0.187,1381 12.879,1382 8.236,1383 10.556,1384 0.192,1385 0.101,1386 10.556,1387 5.571,1388 8.186,1389 0.126,1390 0.058,1391 8.186,1392 3.743,1393 6.308,1394 0.081,1395 0.031,1396 6.308,1397 2.439,1398 0.298,1399 90.174,1400 0.219,1401 29.047,1402 0.472,1403 152,1404 397.539,1405 162.303,1406 383.209,1407 521.04,1408 360,1409 175,1410 373.981,1411 186.914,1412 386.946,1413 553.07,1414 359,1415 5.886}
{0 CHEMBL300176,1 1.305,2 5.692,3 0.532,4 0.283,5 53.863,6 5.816,7 0.462,8 3.473,9 3.619,10 2.824,11 2.905,12 4.43,13 2.845,14 4.035,15 4.28,16 3.099,17 3.272,18 4.846,19 3.198,20 4.21,21 4.409,22 3.018,23 3.491,24 5.049,25 3.319,26 4.489,27 4.843,28 2.883,29 3.409,30 5.067,31 3.178,32 4.035,33 4.276,34 2.713,35 3.215,36 4.834,37 3.027,38 4.076,39 4.385,40 2.48,41 3.044,42 4.762,43 2.809,44 3.824,45 4.136,46 1.862,47 2.599,48 4.511,49 2.371,50 3.256,51 3.58,52 0.947,53 2.215,54 3.829,55 1.851,56 0.041,57 0.409,58 7.859,59 2.816,60 7.162,61 4.223,62 0.169,63 0.619,64 13.383,65 4.127,66 12.096,67 6.395,68 0.089,69 0.754,70 15.556,71 6.303,72 14.926,73 9.054,74 0.153,75 0.771,76 18.551,77 6.618,78 18.23,79 10.072,80 0.155,81 0.583,82 12.807,83 4.852,84 13.894,85 7.084,86 0.089,87 0.524,88 12.609,89 4.549,90 14.141,91 6.809,92 0.185,93 0.342,94 10.03,95 2.815,96 14.905,97 4.281,98 0.028,99 0.22,100 5.156,101 2.088,102 5.909,103 3.103,104 22,105 18,106 0.257,107 0.504,108 0.669,109 0.72,110 0.72,111 0.72,112 2.665,113 1.071,114 0.23,115 0.07,116 -0.15,121 35.5,126 4,127 1,144 4,145 1,146 1,176 4,180 2,187 4,189 1,192 2,200 2,203 2,206 1,216 1,221 1,229 1,281 148,282 8.11,283 8.11,284 8.11,285 8.11,286 8.11,287 7.387,288 11.788,289 4.777,290 8.413,291 6.382,292 6.382,293 6.382,294 6.382,295 6.382,296 5.277,297 16.915,298 2.223,299 6.792,300 3.649,301 2.389,302 1.55,303 1.292,304 1.292,305 1.292,306 3.265,311 1,312 1,313 141,314 3,318 43.8,325 0.947,326 4.904,329 1,330 0.83,331 0.83,332 0.9,333 1,334 1,335 1,336 0.94,337 27.5,338 74,339 4.215,340 3.542,341 6.457,342 4.056,343 3.141,344 3.691,345 1.26,346 10.203,347 2.883,348 3.938,349 2.89,350 5.529,351 3.572,352 2.613,353 3.093,354 0.86,355 7.516,356 2.498,357 3.278,358 2.336,359 4.893,360 2.925,361 1.972,362 2.504,363 0.245,364 5.643,365 1.869,366 2.674,367 1.334,368 3.502,369 2.203,370 1.214,371 1.753,373 2.635,374 1.199,375 1.584,376 0.936,377 3.1,378 1.295,379 0.431,380 0.482,382 0.626,383 0.369,384 1.117,385 0.201,386 2.681,387 0.872,388 -0.101,389 -0.117,391 -0.291,392 -0.098,393 0.595,394 -0.393,395 2,396 0.172,397 -0.768,398 -0.966,400 -1.664,401 -0.708,402 0.358,403 -0.6,404 2,405 -0.025,406 -1,407 -1,409 -2.886,410 -0.9,412 -0.6,413 2,414 -0.1,415 -1,416 -1,418 -3,419 -0.9,421 -0.871,422 1.629,423 -0.1,424 -1,425 -1.309,426 -0.4,427 -3,428 -0.973,429 -0.485,430 -1.246,431 1.287,432 -0.738,433 -1.62,434 -1.911,435 -0.4,436 -4.182,437 -1.438,438 -0.5,439 -1.53,440 0.515,441 -0.933,442 -1.881,443 -2.219,444 -0.705,445 -5.427,446 -1.801,447 -0.775,448 -2,449 0.408,450 -1,451 -2,452 -3,453 -0.86,454 -6.173,455 -2,474 6.233,475 0.479,476 0.49,477 0.038,478 14.5,479 1.115,480 6.5,481 0.5,482 8,483 0.615,484 8.911,485 0.685,486 15.667,487 0.505,488 9.078,489 0.698,490 3.223,491 0.248,492 2.787,493 0.214,494 0.321,495 0.064,496 0.16,501 0.995,502 1.789,503 1.068,504 1.475,505 1.093,506 1.303,507 1.847,508 0.57,509 1.022,510 0.541,511 0.905,512 0.646,513 0.88,514 1.637,515 1.43,516 1.674,517 1.248,518 1.625,519 0.519,520 0.683,521 0.593,522 0.662,523 0.489,524 0.637,525 0.949,526 1.266,527 1.295,528 1.322,529 1.412,530 1.35,531 0.665,532 1.147,533 0.939,534 1.172,535 0.714,536 1.096,537 2.762,538 0.552,539 1.316,540 0.609,541 2.227,542 0.802,543 0.185,544 1.326,545 1.2,546 1.451,547 0.968,548 1.437,549 4.5,551 0.889,552 1,553 0.622,554 0.417,555 0.242,559 895,560 1678,561 1.814,562 58.1,564 18,572 1.484,573 1.642,574 2.576,575 -0.822,579 1,582 40.468,583 1.305,584 2.565,585 3.405,586 3.663,587 3.663,588 3.663,589 1.95,590 3.181,591 3.674,592 2.667,593 208.063,594 6.085,595 1557.81,597 1,600 153.58,601 1.738,602 3.565,603 0.346,605 0.049,606 0.071,607 0.048,608 0.042,609 0.035,613 0.591,614 1,615 1,616 1.508,617 47.517,618 0.079,619 -0.455,620 0.061,621 -0.246,622 -0.072,623 -0.119,624 -0.264,625 0.595,626 0.098,627 0.431,628 0.16,629 0.331,630 -0.096,631 -0.476,632 -0.42,633 -0.499,634 -0.303,635 -0.497,636 0.105,637 0.145,638 0.285,639 0.213,640 0.247,641 0.261,642 0.025,643 -0.198,644 -0.296,645 -0.257,646 -0.348,647 -0.308,648 0.086,649 -0.249,650 -0.023,651 -0.23,652 0.159,653 -0.148,654 -0.469,655 0.232,656 -0.263,657 0.168,658 -0.445,659 -0.005,660 0.009,661 -0.456,662 -0.373,663 -0.493,664 -0.314,665 -0.477,666 0.731,667 1.662,668 0.462,669 6.568,670 0.982,671 1.137,672 -1.46,673 2.132,674 0.611,675 2.639,676 2.944,677 2.89,678 3.091,679 3.135,680 2.996,681 2.773,682 2.398,683 1.386,685 3.7,686 0.555,687 180.3,688 2.639,689 4.143,690 4.89,691 5.759,692 6.526,693 7.397,694 8.172,695 9.041,696 9.82,697 10.687,698 3.2,712 1,715 4,720 2,722 6,739 1,741 31,743 6,744 1,745 13,747 31,748 11,749 6,750 2,751 4,756 1,757 1,772 6,773 5,790 1,793 18,794 1,796 2,802 1,803 1,807 1,808 1,809 1,829 1,859 1,864 4,868 13,876 1,878 1,883 1,893 3.2,898 1,901 7.917,902 6.75,903 2.875,904 1.764,907 1.192,908 1.237,909 0.865,910 3.068,911 6.216,912 2.833,913 3.35,914 3.67,915 4.176,916 4.588,917 4.454,918 4.365,919 4.202,920 2.784,922 0.75,923 14,924 4.78,925 -0.003,926 1.796,927 0.026,929 7.487,931 9.374,932 -0.001,933 7.014,934 -0.002,936 1.987,937 25.833,938 0.013,941 211.88,942 84.512,945 11,948 84.512,949 222.88,951 36.072,952 2.106,953 37.905,955 19.429,957 211.88,959 211.88,960 84.512,961 11,964 211.88,965 11,968 2.106,969 82.406,972 211.88,973 11,974 84.512,977 211.88,978 10.535,979 73.977,981 11,982 211.88,983 11,984 84.512,986 0.579,987 0.27,988 0.141,989 0.075,990 8,991 4,992 0.097,993 3,995 1,996 2.408,997 70.895,999 6,1000 43.351,1005 10.225,1006 3.901,1007 3.574,1009 11,1010 8.221,1015 2.248,1018 307.392,1019 16,1031 30.44,1032 35.237,1034 0.263,1035 0.518,1036 0.687,1037 0.739,1038 0.739,1039 0.739,1040 4.052,1041 -1,1042 4.963,1043 -1.664,1044 3.611,1045 4.025,1046 1.598,1047 5.753,1048 3.497,1049 5.279,1050 -1,1051 6.521,1052 -2.886,1053 3.611,1054 3.951,1055 0.931,1056 7.034,1057 3.377,1058 6.596,1059 -1,1060 8.188,1061 -3,1062 5.303,1063 6.112,1064 1.592,1065 9.796,1066 5.053,1067 7.94,1068 -1.62,1069 9.916,1070 -3,1071 5.969,1072 6.626,1073 1.381,1074 11.734,1075 5.573,1076 9.303,1077 -1.881,1078 11.679,1079 -4.182,1080 7.294,1081 8.43,1082 1.781,1083 14.173,1084 6.88,1085 10.679,1086 -2,1087 13.464,1088 -5.427,1089 8.223,1090 9.225,1091 1.783,1092 16.344,1093 7.669,1094 12.064,1096 15.264,1097 -6.173,1098 9.421,1099 10.855,1100 2.08,1101 18.695,1102 8.829,1103 3.141,1105 17.076,1107 10.463,1108 11.818,1109 2.192,1110 20.957,1111 9.746,1112 2.613,1113 10.203,1114 18.896,1116 11.617,1117 13.34,1118 2.446,1119 23.283,1120 10.841,1121 1.972,1122 7.516,1123 20.724,1124 3.691,1125 12.71,1126 14.413,1127 2.615,1128 25.58,1129 11.822,1130 1.214,1131 5.643,1132 22.557,1133 3.093,1134 13.849,1135 15.865,1136 2.852,1137 27.901,1138 12.888,1139 0.431,1140 2.635,1141 24.396,1142 2.504,1143 14.965,1144 17.012,1145 3.05,1146 30.212,1147 13.902,1148 -0.101,1149 0.626,1150 26.238,1151 1.753,1152 16.101,1153 18.416,1154 3.282,1155 32.532,1156 14.958,1157 -0.768,1158 -0.291,1159 28.084,1160 0.482,1161 17.229,1162 19.615,1163 3.495,1164 34.849,1165 15.989,1166 1029,1167 1466,1168 7.742,1169 18.932,1170 19.071,1171 19.001,1172 19.268,1173 18.717,1174 18.74,1175 23.045,1176 4.73,1177 53.247,1178 17.633,1179 4.991,1180 5.542,1181 6.048,1182 5.056,1183 5.141,1184 6.691,1185 2.12,1186 16.376,1187 4.883,1188 7.785,1189 1.467,1190 1.462,1191 1.482,1192 1.44,1193 1.442,1194 1.773,1195 0.364,1196 4.096,1197 1.356,1198 3.966,1199 4.012,1200 3.891,1201 3.869,1202 4.866,1203 3.869,1204 3.718,1205 3.788,1206 3.589,1207 3.492,1208 4.438,1209 3.504,1210 3.253,1211 3.318,1212 3.071,1213 2.982,1214 4.298,1215 2.991,1216 2.97,1217 3.05,1218 2.787,1219 2.834,1220 3.661,1221 2.813,1222 2.874,1223 3.009,1224 2.552,1225 2.618,1226 3.467,1227 2.59,1228 2.874,1229 3.009,1230 2.499,1231 2.618,1232 3.467,1233 2.57,1234 2.757,1235 2.833,1236 2.499,1237 2.616,1238 3.466,1239 2.57,1240 2.396,1241 2.515,1242 2.078,1243 2.171,1244 2.88,1245 2.132,1246 0.324,1247 0.272,1248 0.497,1249 0.312,1250 0.242,1251 4.215,1252 0.284,1253 3.542,1254 0.097,1255 6.457,1256 0.785,1257 4.056,1258 0.222,1259 3.141,1260 3.691,1261 1.26,1262 10.203,1263 2.883,1264 1.928,1265 1.897,1266 2.068,1267 2.077,1268 1.285,1269 2.079,1270 1.671,1271 1.589,1272 1.899,1273 1.893,1274 1.008,1275 1.899,1276 1.201,1277 1.13,1278 1.573,1279 1.513,1280 0.585,1281 1.533,1282 1.005,1283 0.931,1284 1.417,1285 1.239,1286 0.496,1287 1.308,1288 0.934,1289 0.804,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.934,1295 0.804,1296 1.33,1297 1.201,1298 0.469,1299 1.25,1300 0.787,1301 0.717,1302 1.078,1303 0.976,1304 0.152,1305 1.015,1306 0.444,1307 0.33,1308 0.874,1309 0.719,1311 0.779,1312 3.296,1314 4.595,1316 6.061,1318 7.598,1320 9.17,1322 8.24,1328 1.025,1330 5.162,1335 0.938,1340 17.214,1341 40.468,1342 79.522,1343 105.541,1344 113.541,1345 113.541,1346 113.541,1347 15.61,1348 5.024,1349 9.23,1350 9.23,1351 6,1352 11.252,1353 2.807,1354 2,1355 24.821,1356 28,1357 26,1358 0.463,1359 112.365,1360 188.79,1361 265.93,1362 620,1364 9.897,1365 0.761,1366 0.687,1367 9.897,1368 8.925,1369 6.01,1370 0.462,1371 0.357,1372 4.537,1373 5.712,1374 4.239,1375 3.704,1376 6.01,1377 4.641,1378 6.072,1379 0.337,1380 0.255,1381 6.072,1382 4.589,1383 3.37,1384 0.198,1385 0.11,1386 3.37,1387 1.869,1388 2.825,1389 0.135,1390 0.066,1391 2.825,1392 1.395,1393 1.96,1394 0.089,1395 0.037,1396 1.96,1397 0.803,1398 0.687,1399 38.103,1400 0.359,1401 13.135,1402 1.363,1403 62,1404 142.068,1405 66.655,1406 137.171,1407 183.64,1408 128,1409 66,1410 129.954,1411 71.822,1412 138.244,1413 190.78,1414 124,1415 5}
{0 CHEMBL300808,1 1.344,2 14.675,3 8.288,4 68.694,5 161.59,6 6.906,7 0.533,8 4.422,9 4.543,10 3.941,11 4.013,12 5.435,13 3.968,14 4.984,15 5.159,16 4.334,17 4.442,18 5.959,19 4.375,20 5.281,21 5.482,22 4.408,23 4.628,24 6.156,25 4.525,26 5.448,27 5.702,28 4.375,29 4.655,30 6.273,31 4.529,32 5.425,33 5.662,34 4.403,35 4.653,36 6.305,37 4.534,38 5.433,39 5.679,40 4.424,41 4.668,42 6.281,43 4.556,44 5.365,45 5.575,46 4.418,47 4.689,48 6.292,49 4.572,50 5.444,51 5.692,52 4.309,53 4.629,54 6.378,55 4.492,56 0.067,57 1.054,58 16.919,59 7.419,60 13.005,61 10.082,62 0.426,63 1.815,64 31.521,65 12.553,66 40.737,67 17.533,68 0.272,69 2.369,70 43.082,71 17.207,72 38.325,73 24.028,74 0.423,75 2.74,76 53.127,77 19.542,78 56.181,79 28.056,80 0.448,81 2.599,82 51.731,83 19.961,84 62.066,85 27.826,86 0.528,87 2.593,88 52.757,89 20.126,90 59.354,91 27.97,92 0.401,93 2.513,94 47.38,95 19.189,96 50.452,97 26.544,98 0.541,99 2.577,100 53.502,101 20.718,102 78.712,103 28.572,104 18,105 65,106 0.205,107 0.486,108 0.658,109 0.78,110 0.815,111 0.831,112 3.718,113 0.948,114 -6.86,115 -6.67,116 -6.18,121 45.5,122 3,123 1,124 1,125 1,127 3,130 1,144 17,145 4,146 3,161 1,176 24,179 2,180 9,183 2,185 2,187 27,192 12,197 2,200 19,206 15,211 3,214 12,218 1,219 15,224 3,227 18,231 1,232 7,237 3,239 29,243 1,244 7,247 1,249 2,251 34,255 1,256 7,259 1,264 28,269 7,274 1,277 24,281 3538,282 27.203,283 27.203,284 27.203,285 27.203,286 27.203,287 24.186,288 37.069,289 16.016,290 27.55,291 22.264,292 22.264,293 22.264,294 22.264,295 22.264,296 17.791,297 51.438,298 7.68,299 22.858,300 4.922,301 3.071,302 1.945,303 1.143,304 0.913,305 0.809,306 4.432,313 1299,314 4.243,317 162.97,318 470.654,320 132.374,321 145.606,324 199.895,325 2.291,326 24.007,329 0.5,330 0.5,331 0.67,332 0.6,333 0.5,334 0.67,335 1,336 0.63,337 83.5,338 587,339 4.842,340 3.989,341 8.016,342 4.724,343 3.748,344 4.212,345 2.186,346 15.396,347 3.663,348 4.127,349 3.676,350 6.312,351 3.792,352 2.805,353 3.691,354 1.042,355 9.241,356 2.777,357 4.007,358 2.996,359 6.247,360 3.685,361 2.724,362 3.467,363 0.843,364 9.027,365 2.618,366 3.924,367 2.985,368 5.931,369 3.622,370 2.652,371 3.451,372 0.366,373 8.25,374 2.577,375 3.898,376 2.942,377 5.562,378 3.548,379 2.585,380 3.307,381 0.265,382 7.578,383 2.489,384 3.74,385 2.689,386 5.456,387 3.422,388 2.44,389 2.999,390 0.114,391 7.178,392 2.381,393 3.553,394 2.493,395 5.31,396 3.265,397 2.298,398 2.791,400 6.791,401 2.206,402 3.433,403 2.459,404 5.274,405 3.162,406 2.21,407 2.552,409 6.664,410 2.089,411 3.249,412 2.387,413 4.881,414 2.849,415 1.868,416 2.411,418 5.171,419 1.814,420 2.951,421 1.804,422 4.608,423 2.568,424 1.591,425 2.114,427 4.647,428 1.551,429 2.871,430 1.544,431 4.22,432 2.441,433 1.444,434 2.021,436 3.152,437 1.439,438 2.595,439 1.46,440 3.917,441 2.305,442 1.329,443 1.613,445 3.027,446 1.292,447 2.518,448 1.314,449 3.769,450 2.222,451 1.227,452 1.522,454 3.002,455 1.219,456 2.5,457 1.168,458 3.597,459 2.125,460 1.131,461 1.5,463 2.908,464 1.124,465 2.5,466 1,467 3.548,468 2,469 1,470 1.5,472 2.275,473 1,474 19.367,475 0.484,476 1.027,477 0.026,478 52.25,479 1.306,480 27,481 0.675,482 25.25,483 0.631,484 40.188,485 1.005,486 41.833,487 0.543,488 43.097,489 1.077,490 9.935,491 0.248,492 9.468,493 0.237,494 0.095,495 0.026,496 0.299,501 0.8,502 1.231,503 0.849,504 1.051,505 0.663,506 0.966,507 0.703,508 1.018,509 0.893,510 0.936,511 0.459,512 0.924,513 1.022,514 1.303,515 1.077,516 1.176,517 0.75,518 1.137,519 1.075,520 1.03,521 1.015,522 0.979,523 0.702,524 0.976,525 1.184,526 1.065,527 0.993,528 1.026,529 1.19,530 0.998,531 1.317,532 0.843,533 0.907,534 0.812,535 1.079,536 0.823,537 1.034,538 1.095,539 1.105,540 1.13,541 1.004,542 1.124,543 1.336,544 0.929,545 1.046,546 0.989,547 1.672,548 0.995,549 8.5,550 0.237,551 4.444,552 3.771,553 2.256,554 1.862,555 1.2,556 0.751,557 0.549,558 0.361,559 27154,560 56364,561 2.144,562 48.1,563 10,564 23,565 1,567 1,569 2,572 1.803,573 2.025,574 3.775,575 -0.491,582 103.513,583 1.344,584 3.196,585 4.321,586 5.123,587 5.354,588 5.458,589 3.278,590 4.922,591 5.283,592 3.997,593 3118.02,594 9.349,595 53374.3,600 482.543,601 1.445,602 5.258,603 0.189,604 0.005,605 0.068,606 0.056,607 0.036,608 0.029,609 0.017,610 0.011,611 0.009,612 0.007,613 0.428,614 0.33,615 0.63,616 0.598,617 225.092,618 0.02,619 -0.105,620 0.071,621 -0.02,622 -0.041,623 0.021,624 0.305,625 0.092,626 0.069,627 0.053,628 0.214,629 0.042,630 -0.047,631 -0.25,632 -0.11,633 -0.187,634 -0.032,635 -0.162,636 -0.054,637 0.008,638 -0.016,639 -0.025,640 0.06,641 -0.013,642 0.016,643 -0.07,644 0.009,645 -0.047,647 -0.024,648 -0.037,649 0.141,650 0.106,651 0.166,652 -0.034,653 0.151,654 -0.005,655 -0.07,656 -0.132,657 -0.135,658 -0.061,659 -0.143,660 -0.022,661 0.035,662 -0.032,663 -0.008,664 -0.082,665 -0.019,666 2.143,667 5.817,668 0.75,669 57.045,670 0.987,671 1.117,672 5.633,673 31.732,674 0.674,675 3.829,676 4.19,677 4.5,678 4.836,679 5.118,680 5.288,681 5.541,682 5.73,683 5.878,684 6.04,685 8.491,686 0.629,687 531.75,688 3.829,689 5.398,690 6.271,691 7.18,692 8.081,693 9.006,694 9.925,695 10.862,696 11.795,697 12.742,698 3.9,701 1,704 1,705 1,715 17,720 7,722 24,736 1,737 1,741 77,743 25,744 4,745 45,747 82,748 35,749 24,750 7,751 17,756 6,757 9,763 3,764 1,766 1,767 1,770 1,772 25,773 10,774 1,777 1,782 1,786 1,793 37,794 5,795 1,796 5,802 3,808 0.667,809 2,825 1,828 2,829 4,831 1,832 1,835 1,855 1,859 4,864 3,868 40,876 4,877 1,878 1,880 2,881 2,882 1,893 2.6,896 1,898 1,901 19.75,902 14.567,903 8.597,904 4.789,907 3.241,908 1.36,909 0.992,910 7.395,911 12.246,912 4.078,913 4.654,914 5.182,915 5.73,916 6.251,917 6.393,918 6.793,919 7.16,920 7.471,921 7.851,922 0.9,923 67,924 14.842,926 6.377,927 0.026,929 7.506,931 29.191,933 24.935,936 2.006,937 80.25,941 423.76,942 226.685,943 24.259,945 36.145,948 226.685,949 459.904,950 24.259,951 26.476,952 26.862,953 161.096,954 25.145,955 40.748,956 18.534,957 411.989,959 423.76,960 250.945,961 36.145,964 400.217,965 59.687,968 56.462,969 194.482,972 423.76,973 60.404,974 226.685,977 423.76,978 39.113,979 193.82,980 18.011,981 36.145,982 423.76,983 60.404,984 226.685,986 0.587,987 0.34,988 0.188,989 0.106,990 33,991 14,992 0.098,993 8,994 2,995 1.133,996 4.935,997 421.127,998 0.133,999 30,1000 198.877,1005 26.616,1006 11.113,1007 5.42,1009 60.404,1010 35.445,1015 7.596,1017 18.011,1018 710.849,1019 58,1024 12.817,1028 -0.477,1031 75.981,1032 85.972,1034 0.215,1035 0.51,1036 0.69,1037 0.818,1038 0.854,1039 0.871,1040 5.342,1041 2.21,1042 6.282,1043 6.791,1044 4.875,1045 5.342,1046 2.554,1047 7.168,1048 4.822,1049 6.544,1050 1.868,1051 7.885,1052 6.664,1053 4.575,1054 5.047,1055 1.905,1056 8.405,1057 4.493,1058 7.855,1059 1.591,1060 9.606,1061 5.171,1062 6.555,1063 7.446,1064 3.56,1065 11.572,1066 6.447,1067 9.201,1068 1.444,1069 11.407,1070 4.647,1071 7.124,1072 7.922,1073 3.622,1074 13.79,1075 6.993,1076 10.583,1077 1.329,1078 13.268,1079 3.152,1080 8.611,1081 9.825,1082 4.92,1083 16.607,1084 8.457,1085 11.993,1086 1.227,1087 15.175,1088 3.027,1089 9.59,1090 10.684,1091 5.296,1092 19.186,1093 9.417,1094 13.426,1095 1.131,1096 17.119,1097 3.002,1098 10.922,1099 12.358,1100 6.39,1101 21.934,1102 10.728,1103 3.748,1104 1,1105 19.093,1106 2.908,1107 12.093,1108 13.438,1109 6.932,1110 24.624,1111 11.878,1112 2.805,1113 15.396,1114 21.09,1115 2.275,1116 13.39,1117 14.99,1118 7.902,1119 27.36,1120 13.156,1121 2.724,1122 9.241,1123 23.107,1124 4.212,1125 14.645,1126 16.205,1127 8.54,1128 30.081,1129 14.389,1130 2.652,1131 9.027,1132 25.139,1133 3.691,1134 15.945,1135 17.692,1136 9.436,1137 32.815,1138 15.667,1139 2.585,1140 8.25,1141 27.182,1142 3.467,1143 17.236,1144 18.991,1145 10.13,1146 35.545,1147 16.936,1148 2.44,1149 7.578,1150 29.235,1151 3.451,1152 18.543,1153 20.443,1154 10.981,1155 38.279,1156 18.221,1157 2.298,1158 7.178,1159 31.294,1160 3.307,1161 19.849,1162 21.794,1163 11.71,1164 41.012,1165 19.506,1166 25197,1167 36479,1168 30.512,1169 51.87,1170 68.65,1171 69.384,1172 69.887,1173 68.016,1174 68.064,1175 86.29,1176 9.634,1177 202.358,1178 66.351,1179 5.813,1180 5.989,1181 7.818,1182 5.815,1183 5.748,1184 7.212,1185 3.889,1186 23.974,1187 5.663,1188 17.664,1189 1.526,1190 1.542,1191 1.553,1192 1.511,1193 1.513,1194 1.918,1195 0.214,1196 4.497,1197 1.474,1198 4.118,1199 4.156,1200 4.064,1201 4.023,1202 7.435,1203 4.028,1204 3.948,1205 3.981,1206 3.882,1207 3.881,1208 4.86,1209 3.876,1210 3.899,1211 3.931,1212 3.826,1213 3.839,1214 4.747,1215 3.832,1216 3.88,1217 3.909,1218 3.808,1219 3.825,1220 4.743,1221 3.817,1222 3.683,1223 3.722,1224 3.602,1225 3.552,1226 4.732,1227 3.554,1228 3.539,1229 3.604,1230 3.418,1231 3.388,1232 4.403,1233 3.378,1234 3.341,1235 3.382,1236 3.237,1237 3.116,1238 4.173,1239 3.135,1240 3.247,1241 3.325,1242 3.11,1243 3.075,1244 4.075,1245 3.07,1246 0.108,1247 0.089,1248 0.178,1249 0.105,1250 0.083,1251 4.842,1252 0.094,1253 3.989,1254 0.049,1255 8.016,1256 0.342,1257 4.724,1258 0.081,1259 3.748,1260 4.212,1261 2.186,1262 15.396,1263 3.663,1264 1.94,1265 1.913,1266 2.069,1267 2.04,1268 1.311,1269 2.047,1270 1.928,1271 1.899,1272 2.05,1273 2.024,1274 1.252,1275 2.035,1276 1.91,1277 1.881,1278 2.037,1279 1.995,1280 1.218,1281 2.01,1282 1.884,1283 1.86,1284 1.997,1285 1.963,1286 1.163,1287 1.975,1288 1.612,1289 1.563,1290 1.811,1291 1.771,1292 0.996,1293 1.786,1294 1.541,1295 1.477,1296 1.794,1297 1.74,1298 0.96,1299 1.755,1300 1.493,1301 1.42,1302 1.712,1303 1.705,1304 0.909,1305 1.721,1306 1.228,1307 1.18,1308 1.481,1309 1.498,1310 0.655,1311 1.469,1312 4.511,1314 5.861,1315 3.045,1316 7.405,1317 5.638,1318 9.043,1319 7.934,1320 10.74,1322 6.677,1328 3.785,1329 2.876,1330 5.809,1332 0.657,1333 5.146,1334 -0.082,1340 48.449,1341 103.513,1342 246.103,1343 332.752,1344 394.503,1345 412.278,1346 420.278,1347 62.56,1348 9.006,1349 44.81,1350 44.81,1351 34,1352 13.236,1353 4.7,1354 3.807,1355 57.179,1356 197,1357 244,1358 0.138,1359 292.461,1360 512.56,1361 705.365,1362 113985,1364 27.692,1365 0.692,1366 0.588,1367 27.692,1368 23.509,1369 19.403,1370 0.431,1371 0.316,1372 14.11,1373 18.97,1374 13.638,1375 11.36,1376 19.403,1377 14.225,1378 18.025,1379 0.277,1380 0.178,1381 18.025,1382 11.581,1383 15.19,1384 0.171,1385 0.095,1386 15.19,1387 8.481,1388 13.254,1389 0.106,1390 0.051,1391 13.254,1392 6.4,1393 11.035,1394 0.066,1395 0.028,1396 11.035,1397 4.627,1398 0.217,1399 119.331,1400 0.181,1401 35.906,1402 0.376,1403 220,1404 505.094,1405 234.025,1406 500.872,1407 706.71,1408 472,1409 264,1410 539.796,1411 278.641,1412 553.425,1413 814.9,1414 521,1415 4.523}
{0 CHEMBL301610,1 1.649,2 11.694,3 2.028,4 4.114,5 136.258,6 7.54,7 0.275,8 4.318,9 4.428,10 4.015,11 3.863,12 5.329,13 3.822,14 4.945,15 5.124,16 4.41,17 4.32,18 6.067,19 4.266,20 5.243,21 5.431,22 4.586,23 4.549,24 6.314,25 4.468,26 5.394,27 5.572,28 4.672,29 4.601,30 6.652,31 4.542,32 5.445,33 5.629,34 4.559,35 4.599,36 6.752,37 4.514,38 5.437,39 5.675,40 4.432,41 4.585,42 6.479,43 4.437,44 5.387,45 5.629,46 4.387,47 4.497,48 6.454,49 4.36,50 5.289,51 5.519,52 4.23,53 4.319,54 6.45,55 4.227,56 0.091,57 1.046,58 17.255,59 6.731,60 19.486,61 8.576,62 0.601,63 1.779,64 31.66,65 11.309,66 65.054,67 15.217,68 0.58,69 2.274,70 47.968,71 16.644,72 81.334,73 20.758,74 0.962,75 2.437,76 58.459,77 18.322,78 177.326,79 22.366,80 1.319,81 2.47,82 57.207,83 18.487,84 225.601,85 23.434,86 0.973,87 2.475,88 60.647,89 20.52,90 157.909,91 26.807,92 0.836,93 2.321,94 63.106,95 19.769,96 153.788,97 25.588,98 1.158,99 1.987,100 52.882,101 15.068,102 172.102,103 19.632,104 86,105 62,106 0.259,107 0.542,108 0.774,109 0.857,110 0.866,111 0.866,112 3.616,113 1.038,114 -2.89,115 -2.89,116 -2.8,121 38.2,122 2,123 3,124 1,126 2,127 2,129 3,144 6,145 2,146 2,160 3,176 9,179 6,180 11,187 8,191 3,192 14,200 8,205 2,206 23,214 7,218 6,219 12,227 9,231 5,232 9,239 9,243 2,244 13,251 5,255 3,256 11,264 7,268 4,269 5,277 9,281 2224,282 23.567,283 23.567,284 23.567,285 23.567,286 23.567,287 21.679,288 30.422,289 13.105,290 23.981,291 19.623,292 19.623,293 19.623,294 19.623,295 19.623,296 16.475,297 41.145,298 6.016,299 20.297,300 4.439,301 2.64,302 1.159,303 0.633,304 0.574,305 0.574,306 4.309,312 1,313 913,314 4.583,317 246.92,318 176.724,320 126.41,322 150.958,325 1.784,326 63.179,329 0.75,330 0.67,331 0.83,332 0.9,333 0.5,334 0.83,335 1,336 0.78,337 79,338 421,339 5.005,340 4.752,341 7.793,342 4.541,343 3.609,344 4.897,345 2.049,346 14.281,347 3.359,348 4.515,349 4.057,350 7.201,351 4.389,352 3.425,353 4.313,354 1.985,355 12.611,356 3.288,357 4.476,358 3.844,359 6.752,360 4.071,361 3.092,362 3.635,363 1.798,364 10.924,365 3.028,366 4.081,367 3.418,368 6.539,369 3.832,370 2.867,371 3.278,372 0.8,373 10.062,374 2.75,375 3.714,376 3.185,377 6.157,378 3.458,379 2.503,380 3.063,381 0.624,382 8.619,383 2.387,384 3.559,385 2.961,386 5.802,387 3.267,388 2.286,389 2.672,390 0.375,391 7.433,392 2.239,393 3.375,394 2.68,395 5.591,396 3.161,397 2.163,398 2.446,399 0.314,400 6.752,401 2.146,402 3.118,403 2.402,404 5.296,405 2.822,406 1.837,407 2.427,409 5.72,410 1.793,411 3.04,412 2.13,413 4.847,414 2.618,415 1.618,416 2.092,418 4.484,419 1.618,420 2.867,421 1.769,422 4.424,423 2.494,424 1.52,425 1.944,427 3.775,428 1.474,429 2.698,430 1.641,431 4.284,432 2.403,433 1.382,434 1.764,436 3.571,437 1.397,438 2.658,439 1.618,440 4.017,441 2.243,442 1.249,443 1.606,445 3.087,446 1.24,447 2.269,448 1.294,449 3.754,450 2.131,451 1.15,452 1.212,454 2.868,455 1.122,456 2.185,457 1.227,458 3.584,459 1.871,460 0.908,461 1.09,463 2.236,464 0.869,465 1.932,466 1.11,467 3.493,468 1.739,469 0.749,470 0.855,472 1.849,473 0.737,474 17.1,475 0.475,476 1.293,477 0.036,478 42,479 1.167,480 18,481 0.5,482 24,483 0.667,484 40.335,485 1.12,486 40.5,487 0.596,488 39.291,489 1.091,490 7.692,491 0.214,492 9.359,493 0.26,494 0.214,495 0.049,496 0.415,501 0.528,502 1.579,503 0.805,504 1.323,505 0.545,506 1.065,507 0.604,508 1.042,509 0.755,510 0.836,511 0.486,512 0.837,513 0.972,514 1.074,515 1.1,516 1.101,517 0.877,518 0.983,519 1.404,520 1.127,521 1.201,522 1.154,523 1.458,524 0.999,525 1.416,526 1.082,527 1.169,528 1.061,529 1.507,530 1.135,531 0.863,532 0.964,533 1.072,534 1.053,535 0.874,536 1.052,537 0.879,538 1.09,539 1.197,540 1.213,541 0.871,542 1.009,543 1.541,544 0.858,545 1.127,546 0.869,547 1.613,548 0.924,549 7.5,550 0.233,551 6.222,552 4.847,553 3.354,554 1.803,555 1.176,556 0.772,557 0.577,558 0.448,559 17413,560 46089,561 2.03,562 47.1,563 3,564 19,568 4,569 4,570 2,572 1.778,573 1.823,574 3.526,575 -0.717,582 112.126,583 1.649,584 3.448,585 4.929,586 5.455,587 5.514,588 5.514,589 2.941,590 4.837,591 5.145,592 3.68,593 2318.18,594 9.063,595 34710.9,600 413.947,601 1.693,602 5.055,603 0.188,604 0.006,605 0.1,606 0.069,607 0.045,608 0.028,609 0.021,610 0.014,611 0.012,612 0.01,613 0.494,614 0.33,615 0.63,616 0.875,617 192.337,618 0.065,619 -0.302,620 0.195,621 -0.118,622 -0.059,623 -0.011,624 0.19,625 0.136,626 0.16,627 0.164,628 0.137,629 0.139,630 -0.056,631 0.053,632 0.004,633 0.008,634 -0.033,635 0.015,636 -0.121,637 -0.071,638 -0.065,639 -0.068,640 -0.096,641 -0.03,642 -0.09,643 -0.074,644 -0.188,645 -0.088,646 -0.075,647 -0.189,648 0.025,649 0.015,650 -0.026,651 -0.016,652 0.004,653 -0.044,654 0.037,655 -0.118,656 -0.006,657 -0.094,658 0.053,659 0.015,660 -0.194,661 0.087,662 -0.108,663 0.057,664 -0.201,665 0.007,666 4.883,667 6.979,668 0.639,669 33.185,670 1.007,671 1.129,672 1.657,673 2.745,674 0.656,675 3.714,676 4.143,677 4.522,678 4.868,679 5.063,680 5.193,681 5.352,682 5.455,683 5.572,684 5.62,685 6.979,686 0.621,687 512.69,688 3.714,689 5.323,690 6.236,691 7.18,692 8.112,693 9.057,694 9.994,695 10.94,696 11.88,697 12.827,698 5.9,701 1,704 1,705 2,714 2,715 6,720 2,722 11,736 1,741 68,743 16,744 2,745 40,747 72,748 26,749 10,750 4,751 6,756 5,757 7,763 2,767 6,768 1,770 6,772 13,773 13,774 1,777 5,780 1,782 5,786 3,793 32,794 9,796 10,797 1,802 4,805 1,808 0.6,809 5,825 2,828 3,829 2,831 1,833 1,844 1,859 3,862 1,864 4,868 36,872 1,876 5,880 4,881 4,893 7.4,896 5,901 19.75,902 13.383,903 7.639,904 4.276,907 2.49,908 1.286,909 0.971,910 6.387,911 11.196,912 3.942,913 4.559,914 5.119,915 5.689,916 6.177,917 6.469,918 6.873,919 7.188,920 7.484,921 7.466,922 0.875,923 70,924 13.951,926 6.689,927 0.026,929 7.956,931 25.803,933 22.805,936 2.456,937 88.417,941 376.675,942 132.49,943 10.892,945 119.748,947 5.807,948 126.683,949 496.423,950 10.892,951 34.443,952 18.064,953 62.665,954 133.862,955 14.096,957 376.675,959 376.675,960 137.575,961 119.748,962 5.807,964 306.049,965 190.374,968 37.233,969 100.342,970 5.807,972 376.675,973 130.639,974 132.49,976 5.807,977 376.675,978 35.382,979 102.192,981 119.748,982 376.675,983 130.639,984 132.49,986 0.608,987 0.384,988 0.219,989 0.112,990 33,991 17,992 0.056,993 4,994 2,995 1.174,996 4.237,997 383.249,998 0.174,999 23,1000 180.117,1004 1,1005 25.193,1006 9.127,1007 3.873,1008 1.45,1009 130.639,1010 10.828,1015 1.103,1018 639.805,1019 50.5,1022 -3.966,1024 66.589,1028 -0.854,1031 68.491,1032 76.773,1034 0.271,1035 0.566,1036 0.81,1037 0.896,1038 0.906,1039 0.906,1040 5.267,1041 1.837,1042 6.301,1043 6.752,1044 4.828,1045 5.247,1046 3.088,1047 7.273,1048 4.761,1049 6.51,1050 1.618,1051 7.973,1052 5.72,1053 4.745,1054 5.414,1055 2.632,1056 8.599,1057 4.613,1058 7.881,1059 1.52,1060 9.756,1061 4.484,1062 6.608,1063 7.527,1064 4.074,1065 11.766,1066 6.445,1067 9.293,1068 1.382,1069 11.604,1070 3.775,1071 7.34,1072 8.53,1073 4.226,1074 13.902,1075 7.103,1076 10.744,1077 1.249,1078 13.492,1079 3.571,1080 8.756,1081 10.239,1082 5.282,1083 16.664,1084 8.48,1085 12.223,1086 1.15,1087 15.409,1088 3.087,1089 9.805,1090 11.573,1091 5.696,1092 19.098,1093 9.456,1094 13.722,1095 0.908,1096 17.347,1097 2.868,1098 11.09,1099 13.172,1100 6.574,1101 21.752,1102 10.692,1103 3.609,1104 0.749,1105 19.301,1106 2.236,1107 12.26,1108 14.639,1109 7.12,1110 24.302,1111 11.793,1112 3.425,1113 14.281,1114 21.268,1115 1.849,1116 13.511,1117 16.209,1118 7.909,1119 26.932,1120 12.988,1121 3.092,1122 12.611,1123 23.246,1124 4.897,1125 14.729,1126 17.733,1127 8.525,1128 29.53,1129 14.139,1130 2.867,1131 10.924,1132 25.232,1133 4.313,1134 15.976,1135 19.298,1136 9.269,1137 32.16,1138 15.325,1139 2.503,1140 10.062,1141 27.227,1142 3.635,1143 17.215,1144 20.848,1145 9.923,1146 34.781,1147 16.497,1148 2.286,1149 8.619,1150 29.228,1151 3.278,1152 18.466,1153 22.416,1154 10.644,1155 37.415,1156 17.683,1157 2.163,1158 7.433,1159 31.234,1160 3.063,1161 19.715,1162 23.979,1163 11.319,1164 40.048,1165 18.866,1166 16614,1167 27199,1168 25.49,1169 44.603,1170 63.128,1171 66.561,1172 67.022,1173 63.008,1174 62.957,1175 77.102,1176 15.893,1177 202.238,1178 61.111,1179 6.005,1180 6.752,1181 7.315,1182 5.624,1183 5.609,1184 7.897,1185 3.522,1186 22.992,1187 5.359,1188 23.753,1189 1.578,1190 1.664,1191 1.676,1192 1.575,1193 1.574,1194 1.928,1195 0.397,1196 5.056,1197 1.528,1198 4.191,1199 4.19,1200 4.751,1201 4.169,1202 7.715,1203 4.119,1204 4.018,1205 4.06,1206 3.975,1207 3.87,1208 7.444,1209 3.881,1210 3.906,1211 3.932,1212 3.954,1213 3.807,1214 7.426,1215 3.766,1216 3.648,1217 3.674,1218 3.646,1219 3.54,1220 7.411,1221 3.506,1222 3.518,1223 3.571,1224 3.413,1225 3.319,1226 6.999,1227 3.321,1228 3.438,1229 3.48,1230 3.376,1231 3.291,1232 4.87,1233 3.263,1234 3.409,1235 3.471,1236 3.263,1237 3.229,1238 4.363,1239 3.226,1240 3.364,1241 3.402,1242 3.225,1243 3.198,1244 4.352,1245 3.193,1246 0.125,1247 0.119,1248 0.195,1249 0.114,1250 0.09,1251 5.005,1252 0.122,1253 4.752,1254 0.051,1255 7.793,1256 0.357,1257 4.541,1258 0.084,1259 3.609,1260 4.897,1261 2.049,1262 14.281,1263 3.359,1264 2.104,1265 2.101,1266 2.14,1267 2.153,1268 1.361,1269 2.173,1270 1.729,1271 1.719,1272 1.889,1273 1.916,1274 1.268,1275 1.912,1276 1.659,1277 1.634,1278 1.852,1279 1.851,1280 1.223,1281 1.851,1282 1.629,1283 1.577,1284 1.827,1285 1.814,1286 1.134,1287 1.83,1288 1.59,1289 1.538,1290 1.77,1291 1.761,1292 1.042,1293 1.791,1294 1.488,1295 1.428,1296 1.709,1297 1.711,1298 0.849,1299 1.728,1300 1.404,1301 1.347,1302 1.643,1303 1.632,1304 0.79,1305 1.657,1306 1.376,1307 1.3,1308 1.615,1309 1.541,1310 0.678,1311 1.57,1312 4.394,1314 5.796,1315 3.434,1316 7.392,1317 5.861,1318 9.082,1319 8.026,1320 10.824,1322 6.942,1328 2.193,1332 -2.087,1333 6.217,1340 42.222,1341 112.126,1342 234.452,1343 335.153,1344 370.928,1345 374.928,1346 374.928,1347 112.743,1348 8.706,1349 98.31,1350 106.69,1351 27,1352 13.319,1353 4.087,1354 3.524,1355 54.309,1356 151,1357 139,1358 0.177,1359 258.075,1360 460.1,1361 621.462,1362 83605,1364 25.938,1365 0.721,1366 0.607,1367 26.188,1368 21.864,1369 17.051,1370 0.426,1371 0.346,1372 12.348,1373 15.6,1374 11.841,1375 9.75,1376 17.84,1377 13.844,1378 16.608,1379 0.268,1380 0.194,1381 17.889,1382 12.05,1383 14.562,1384 0.16,1385 0.109,1386 15.876,1387 9.896,1388 13.058,1389 0.101,1390 0.063,1391 14.442,1392 8.19,1393 10.046,1394 0.064,1395 0.036,1396 11.358,1397 5.709,1398 0.274,1399 115.224,1400 0.198,1401 32.118,1402 0.503,1403 204,1404 598.119,1405 265.163,1406 587.947,1407 794.44,1408 542,1409 255,1410 554.45,1411 328.93,1412 594.017,1413 885.87,1414 558,1415 4}
{0 CHEMBL302168,1 1.322,2 12.962,3 5.319,4 28.296,5 106.603,6 5.976,7 0.214,8 4.142,9 4.283,10 3.518,11 3.645,12 5.017,13 3.579,14 4.768,15 4.984,16 3.885,17 4.084,18 5.613,19 3.979,20 5.085,21 5.341,22 3.951,23 4.288,24 5.806,25 4.146,26 5.169,27 5.439,28 3.863,29 4.288,30 5.915,31 4.111,32 5.139,33 5.437,34 3.735,35 4.139,36 5.899,37 3.961,38 4.921,39 5.194,40 3.538,41 3.923,42 5.728,43 3.759,44 4.736,45 5.009,46 3.478,47 3.754,48 5.603,49 3.612,50 4.663,51 4.929,52 3.357,53 3.622,54 5.636,55 3.503,56 0.068,57 0.832,58 15.118,59 6.108,60 8.261,61 8.787,62 0.395,63 1.381,64 27.847,65 10.282,66 33.823,67 15.207,68 0.294,69 1.749,70 37.023,71 13.675,72 27.051,73 20.229,74 0.299,75 1.798,76 39.723,77 14.746,78 37.866,79 21.741,80 0.37,81 1.619,82 38.456,83 12.982,84 43.207,85 19.539,86 0.422,87 1.274,88 31.544,89 10.435,90 38.987,91 15.334,92 0.257,93 1.094,94 26.19,95 8.499,96 30.505,97 12.772,98 0.472,99 0.976,100 25.157,101 6.978,102 47.383,103 10.586,104 29,105 39,106 0.219,107 0.459,108 0.683,109 0.857,110 0.883,111 0.883,112 3.303,113 1.116,114 -4.84,115 -4.75,116 -4.46,121 36.7,122 3,123 7,125 1,127 3,129 1,144 3,145 2,146 1,161 1,176 13,179 1,180 6,183 2,185 1,187 17,192 5,197 1,200 12,206 9,211 3,214 9,219 7,224 3,227 6,231 1,232 4,237 3,239 5,244 5,249 4,251 4,255 1,256 3,259 1,264 6,269 2,277 9,281 1076,282 17.662,283 17.662,284 17.662,285 17.662,286 17.662,287 16.846,288 24.018,289 10.677,290 17.981,291 13.745,292 13.745,293 13.745,294 13.745,295 13.745,296 12.383,297 32.975,298 4.994,299 14.202,300 4.585,301 3.131,302 1.781,303 0.73,304 0.571,305 0.571,306 3.985,311 1,312 1,313 715,314 4.183,317 51.25,318 130.876,319 77.112,321 95.086,323 120.948,325 1.967,326 18.305,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 55,338 337,339 4.728,340 3.832,341 7.627,342 4.591,343 3.597,344 4.164,345 2.186,346 13.936,347 3.577,348 3.916,349 3.66,350 6.393,351 3.655,352 2.693,353 3.23,354 0.916,355 9.658,356 2.598,357 3.741,358 3.039,359 5.739,360 3.557,361 2.623,362 2.853,363 0.366,364 7.806,365 2.438,366 3.548,367 2.678,368 5.391,369 3.235,370 2.271,371 2.697,372 0.172,373 6.816,374 2.165,375 3.221,376 2.318,377 4.814,378 2.93,379 1.965,380 2.356,382 5.403,383 1.891,384 2.843,385 1.9,386 4.609,387 2.805,388 1.808,389 1.842,391 4.045,392 1.794,393 2.628,394 1.574,395 4.009,396 2.387,397 1.399,398 1.672,400 3.614,401 1.379,402 2.431,403 1.485,404 3.827,405 2.298,406 1.311,407 1.422,409 2.851,410 1.292,411 2.285,412 1.152,413 3.4,414 2.08,415 1.09,416 1.263,418 2.654,419 1.077,420 1.844,421 1.033,422 3.345,423 1.777,424 0.799,425 0.818,427 1.462,428 0.778,429 1.727,430 0.831,431 3.026,432 1.673,433 0.694,434 0.712,436 1.297,437 0.678,438 1.283,439 0.707,440 2.927,441 1.124,442 0.168,443 0.174,445 0.318,446 0.159,447 1.165,448 0.323,449 2.682,450 0.95,451 -0.033,452 -0.036,454 -0.062,455 -0.032,456 0.874,457 0.048,458 2.548,459 0.745,460 -0.232,461 -0.247,463 -0.492,464 -0.225,465 0.618,466 -0.223,467 2.343,468 0.415,469 -0.567,470 -0.587,472 -1.062,473 -0.552,474 12.467,475 0.479,476 0.602,477 0.023,478 24,479 0.923,480 8,481 0.308,482 16,483 0.615,484 29.918,485 1.151,486 30.733,487 0.512,488 15.086,489 0.58,490 3.731,491 0.143,492 8.839,493 0.34,494 0.147,495 0.04,496 0.233,501 0.796,502 1.475,503 1.022,504 1.315,505 0.621,506 1.206,507 0.626,508 1.116,509 0.972,510 1.067,511 0.382,512 1.048,513 0.945,514 1.04,515 0.998,516 1.022,517 0.661,518 1.011,519 0.887,520 1.168,521 1.026,522 1.151,523 0.841,524 1.112,525 1.16,526 0.947,527 0.941,528 0.938,529 1.168,530 0.917,531 1.705,532 0.959,533 1.105,534 0.961,535 1.499,536 0.98,537 1.445,538 1.144,539 0.978,540 1.045,541 1.663,542 0.979,543 2.507,544 0.713,545 1.248,546 0.731,547 3.282,548 0.841,549 5.5,550 0.094,551 3.111,552 2.326,553 1.468,554 0.754,555 0.502,556 0.309,557 0.225,558 0.135,559 8269,560 14041,561 2.027,562 56.7,563 14,564 10,567 1,569 9,572 1.685,573 1.891,574 3.568,575 -0.408,582 79.332,583 1.322,584 2.776,585 4.126,586 5.177,587 5.336,588 5.336,589 3.109,590 4.47,591 4.659,592 3.759,593 1221.65,594 8.049,595 15735.1,600 354.413,601 1.542,602 4.619,603 0.196,604 0.006,605 0.08,606 0.057,607 0.042,608 0.025,609 0.021,610 0.013,611 0.011,612 0.008,613 0.459,614 0.33,615 1,616 2.327,617 129.625,618 0.02,619 -0.133,620 0.061,621 -0.048,622 -0.007,623 0.002,624 0.306,625 0.07,626 0.073,627 0.038,628 0.256,629 0.033,630 -0.049,631 0.034,632 0.005,633 0.023,634 0.007,635 0.022,636 -0.009,637 -0.159,638 -0.047,639 -0.127,640 0.023,641 -0.097,642 -0.023,643 -0.005,644 0.048,645 -0.001,646 -0.013,647 0.029,648 -0.082,649 -0.024,650 -0.062,651 -0.015,652 -0.125,653 -0.037,654 -0.012,655 -0.183,656 0.054,657 -0.092,658 -0.041,659 -0.024,660 -0.206,661 0.258,662 -0.113,663 0.133,664 -0.302,665 0.034,666 1.998,667 5.066,668 0.462,669 29.118,670 0.983,671 1.134,672 3.614,673 13.063,674 0.618,675 3.367,676 3.689,677 3.97,678 4.277,679 4.564,680 4.71,681 4.82,682 4.883,683 4.905,684 4.942,685 7.141,686 0.565,687 358.58,688 3.367,689 4.905,690 5.759,691 6.658,692 7.55,693 8.469,694 9.383,695 10.314,696 11.241,697 12.18,698 3.3,701 1,705 1,715 3,720 3,722 6,737 1,741 60,743 7,744 1,745 28,747 62,748 22,749 6,750 3,751 3,756 3,757 6,763 3,764 1,766 1,767 3,770 8,772 7,773 15,777 1,782 1,786 1,793 34,794 4,795 1,796 4,802 2,808 0.333,809 2,828 1,829 2,830 1,832 1,834 1,855 1,859 1,864 3,868 26,876 10,877 1,878 1,880 1,881 1,882 1,893 3.3,896 1,898 1,901 13.75,902 11.367,903 5.917,904 4.399,907 1.282,908 1.174,909 0.926,910 6.497,911 8.662,912 3.497,913 3.961,914 4.422,915 4.944,916 5.452,917 5.715,918 6.061,919 6.297,920 6.38,921 6.485,922 0.889,923 41,924 9.718,926 4.039,927 0.026,929 7.471,931 19.518,933 16.504,936 1.971,937 51.25,941 388.446,942 97.34,943 21.135,945 36.145,948 97.34,949 424.591,950 21.135,951 26.476,952 42.07,953 28.429,954 25.145,955 25.739,956 6.763,957 388.446,959 388.446,960 118.475,961 36.145,964 282.506,965 142.085,968 71.67,969 46.806,972 388.446,973 57.28,974 97.34,977 388.446,978 42.436,979 58.029,980 18.011,981 36.145,982 388.446,983 57.28,984 97.34,986 0.567,987 0.329,988 0.178,989 0.102,990 18,991 8,992 0.145,993 9,994 3,995 1.417,996 3.837,997 210.482,998 0.5,999 11,1000 122.211,1005 19.538,1006 8.645,1007 4.383,1009 57.28,1010 6.236,1015 3.475,1017 18.011,1018 543.067,1019 32,1024 12.066,1028 -0.332,1031 58.996,1032 68.059,1034 0.224,1035 0.47,1036 0.699,1037 0.876,1038 0.903,1039 0.903,1040 4.766,1041 1.311,1042 5.771,1043 3.614,1044 4.369,1045 4.644,1046 2.401,1047 6.661,1048 4.311,1049 5.933,1050 1.09,1051 7.38,1052 2.851,1053 4.111,1054 4.494,1055 1.847,1056 7.976,1057 4.039,1058 7.246,1059 0.799,1060 9.113,1061 2.654,1062 6.066,1063 6.672,1064 3.519,1065 11.086,1066 5.964,1067 8.599,1068 0.694,1069 10.926,1070 1.462,1071 6.686,1072 7.357,1073 3.603,1074 13.275,1075 6.592,1076 9.995,1077 0.168,1078 12.795,1079 1.297,1080 8.152,1081 9.077,1082 4.91,1083 16.017,1084 8.04,1085 11.421,1086 -0.033,1087 14.702,1088 0.318,1089 9.16,1090 10.137,1091 5.291,1092 18.504,1093 9.063,1094 12.871,1095 -0.232,1096 16.637,1097 -0.062,1098 10.473,1099 11.69,1100 6.388,1101 21.159,1102 10.37,1103 3.597,1104 -0.567,1105 18.593,1106 -0.492,1107 11.643,1108 12.932,1109 6.93,1110 23.743,1111 11.55,1112 2.693,1113 13.936,1114 20.565,1115 -1.062,1116 12.917,1117 14.416,1118 7.902,1119 26.379,1120 12.823,1121 2.623,1122 9.658,1123 22.549,1124 4.164,1125 14.151,1126 15.747,1127 8.539,1128 28.996,1129 14.062,1130 2.271,1131 7.806,1132 24.543,1133 3.23,1134 15.421,1135 17.201,1136 9.436,1137 31.629,1138 15.33,1139 1.965,1140 6.816,1141 26.545,1142 2.853,1143 16.68,1144 18.578,1145 10.13,1146 34.256,1147 16.59,1148 1.808,1149 5.403,1150 28.552,1151 2.697,1152 17.952,1153 20.018,1154 10.981,1155 36.889,1156 17.859,1157 1.399,1158 4.045,1159 30.564,1160 2.356,1161 19.222,1162 21.418,1163 11.71,1164 39.521,1165 19.127,1166 8233,1167 10901,1168 18.375,1169 37.103,1170 41.006,1171 42.122,1172 43.357,1173 40.823,1174 40.835,1175 46.41,1176 7.283,1177 119.72,1178 39.647,1179 5.728,1180 5.832,1181 7.591,1182 5.67,1183 5.597,1184 7.164,1185 3.889,1186 21.932,1187 5.577,1188 13.434,1189 1.465,1190 1.504,1191 1.548,1192 1.458,1193 1.458,1194 1.657,1195 0.26,1196 4.276,1197 1.416,1198 4.099,1199 4.131,1200 4.038,1201 4.028,1202 7.435,1203 4.026,1204 3.784,1205 3.85,1206 3.644,1207 3.648,1208 4.821,1209 3.63,1210 3.681,1211 3.726,1212 3.572,1213 3.534,1214 4.407,1215 3.537,1216 3.564,1217 3.639,1218 3.418,1219 3.382,1220 4.248,1221 3.373,1222 3.454,1223 3.53,1224 3.274,1225 3.289,1226 4.128,1227 3.273,1228 3.335,1229 3.394,1230 3.187,1231 3.091,1232 4.042,1233 3.113,1234 3.128,1235 3.214,1236 2.944,1237 2.975,1238 3.954,1239 2.957,1240 3.109,1241 3.201,1242 2.858,1243 2.916,1244 3.738,1245 2.889,1246 0.169,1247 0.137,1248 0.272,1249 0.164,1250 0.128,1251 4.728,1252 0.149,1253 3.832,1254 0.078,1255 7.627,1256 0.498,1257 4.591,1258 0.128,1259 3.597,1260 4.164,1261 2.186,1262 13.936,1263 3.577,1264 1.905,1265 1.888,1266 2.04,1267 1.999,1268 1.414,1269 2.013,1270 1.823,1271 1.768,1272 2.035,1273 1.985,1274 1.379,1275 1.991,1276 1.782,1277 1.718,1278 1.979,1279 1.945,1280 1.202,1281 1.972,1282 1.564,1283 1.49,1284 1.852,1285 1.787,1286 1.121,1287 1.808,1288 1.465,1289 1.387,1290 1.776,1291 1.672,1292 0.959,1293 1.711,1294 1.277,1295 1.219,1296 1.578,1297 1.559,1298 0.786,1299 1.561,1300 1.15,1301 1.081,1302 1.524,1303 1.394,1304 0.777,1305 1.444,1306 1.147,1307 1.051,1308 1.446,1309 1.357,1310 0.626,1311 1.389,1312 4.043,1314 5.361,1315 2.398,1316 6.889,1317 5.043,1318 8.526,1319 7.391,1320 10.232,1322 6.809,1328 11.248,1329 2.878,1330 5.55,1332 0.528,1333 2.569,1334 0.223,1340 33.901,1341 79.332,1342 166.536,1343 247.562,1344 310.639,1345 320.149,1346 320.149,1347 47.495,1348 7.38,1349 41.57,1350 41.57,1351 17,1352 12.679,1353 3,1354 2.322,1355 44.838,1356 109,1357 146,1358 0.202,1359 209.493,1360 370.2,1361 502.924,1362 15363,1364 18.571,1365 0.714,1366 0.64,1367 18.571,1368 16.644,1369 12.57,1370 0.449,1371 0.372,1372 10.321,1373 12.2,1374 9.992,1375 8.366,1376 12.57,1377 10.413,1378 11.076,1379 0.284,1380 0.209,1381 11.076,1382 8.139,1383 9.162,1384 0.176,1385 0.12,1386 9.162,1387 6.236,1388 7.65,1389 0.108,1390 0.065,1391 7.65,1392 4.608,1393 6.414,1394 0.068,1395 0.037,1396 6.414,1397 3.474,1398 0.325,1399 77.842,1400 0.233,1401 25.624,1402 0.529,1403 134,1404 301.449,1405 144.889,1406 288.991,1407 400.93,1408 272,1409 158,1410 301.064,1411 167.645,1412 302.789,1413 447.98,1414 286,1415 6.799}
{0 CHEMBL302842,1 1.429,2 6.824,3 2.774,4 7.693,5 68.201,6 6.919,7 0.579,8 3.597,9 3.721,10 3.115,11 3.161,12 4.632,13 3.126,14 4.144,15 4.32,16 3.468,17 3.569,18 5.081,19 3.509,20 4.376,21 4.587,22 3.569,23 3.705,24 5.309,25 3.626,26 4.393,27 4.618,28 3.417,29 3.64,30 5.379,31 3.528,32 4.347,33 4.618,34 3.101,35 3.491,36 5.187,37 3.333,38 4.14,39 4.425,40 2.79,41 3.226,42 4.914,43 3.041,44 3.849,45 4.12,46 2.418,47 2.87,48 4.585,49 2.688,50 3.521,51 3.796,52 1.855,53 2.462,54 4.285,55 2.259,56 0.034,57 0.473,58 7.409,59 3.14,60 6.736,61 4.252,62 0.096,63 0.765,64 13.615,65 5.481,66 11.178,67 7.507,68 0.124,69 0.963,70 17.564,71 6.526,72 15.648,73 9.353,74 0.22,75 0.976,76 18.141,77 6.311,78 26.567,79 9.265,80 0.159,81 0.874,82 17.77,83 6.114,84 22.648,85 9.128,86 0.164,87 0.659,88 14.625,89 5.361,90 19.158,91 7.83,92 0.118,93 0.456,94 11.075,95 4.029,96 12.272,97 5.597,98 0.121,99 0.321,100 8.104,101 2.612,102 12.366,103 3.657,104 6,105 27,106 0.268,107 0.641,108 0.777,109 0.838,110 0.861,111 0.861,112 2.911,113 0.954,114 -3.13,115 -3.13,116 -3.01,121 42.4,123 4,126 1,144 3,145 2,146 2,148 2,165 1,166 1,167 1,176 6,180 6,185 2,187 8,189 2,192 4,197 2,200 5,203 2,205 1,206 3,208 1,209 1,211 4,214 6,216 4,224 1,227 6,229 1,232 2,234 1,235 1,239 4,244 2,251 1,256 1,281 229,282 11.732,283 11.732,284 11.732,285 11.732,286 11.732,287 10.419,288 11.352,289 6.822,290 11.975,291 9.31,292 9.31,293 9.31,294 9.31,295 9.31,296 7.204,297 8.038,298 3.151,299 9.623,300 3.615,301 1.623,302 0.894,303 0.568,304 0.447,305 0.447,306 3.59,311 1,312 1,313 252,314 2,318 87.353,322 96.563,325 1.031,326 11.413,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 36,338 116,339 4.638,340 3.343,341 6.774,342 4.195,343 3.215,344 4.574,345 0.86,346 11.06,347 3.152,348 4.003,349 2.878,350 6.011,351 3.612,352 2.635,353 3.542,355 8.521,356 2.577,357 3.588,358 2.514,359 5.396,360 3.204,361 2.247,362 2.965,364 6.826,365 2.141,366 3.38,367 2.194,368 5.103,369 2.941,370 1.995,371 2.721,373 5.968,374 1.881,375 2.642,376 1.486,377 4.124,378 2.432,379 1.439,380 1.688,382 3.384,383 1.428,384 2.489,385 1.435,386 3.713,387 2.25,388 1.257,389 1.488,391 3.073,392 1.247,393 2.034,394 1.165,395 3.492,396 1.85,397 0.882,398 0.986,400 2.062,401 0.85,402 1.596,403 0.901,404 2.911,405 1.324,406 0.451,407 0.502,409 0.702,410 0.39,411 1.337,412 0.123,413 2.842,414 0.95,420 0.929,421 -0.198,422 2.454,423 0.569,424 -0.393,425 -0.494,427 -0.882,428 -0.375,429 0.605,430 -0.516,431 2.163,432 0.213,433 -0.745,434 -0.871,436 -1.818,437 -0.706,438 0.272,439 -0.682,440 2,441 0.123,442 -0.869,443 -1.021,445 -2.173,446 -0.86,447 0.133,448 -1.037,449 1.656,450 -0.203,451 -1.185,452 -1.562,454 -3.468,455 -1.159,456 -0.177,457 -1.152,458 1.484,459 -0.504,460 -1.437,461 -1.73,463 -3.917,464 -1.308,465 -0.461,466 -1.4,467 1.265,468 -0.701,469 -1.631,470 -1.975,472 -4.508,473 -1.542,474 8.133,475 0.478,476 0.38,477 0.022,478 21.75,479 1.279,480 11,481 0.647,482 10.75,483 0.632,484 12.407,485 0.73,486 18.267,487 0.554,488 12.683,489 0.746,490 4.01,491 0.236,492 4.282,493 0.252,494 0.111,496 0.369,501 0.944,502 1.124,503 0.859,504 1.022,505 1.066,506 0.938,507 1.099,508 1.078,509 0.849,510 0.945,511 0.749,512 0.89,513 0.957,514 1.168,515 0.898,516 0.996,517 0.859,518 0.947,519 0.905,520 1.176,521 1.148,522 1.141,523 1.197,524 1.158,525 0.908,526 0.99,527 1.117,528 1.037,529 1.344,530 1.074,531 0.688,532 0.884,533 0.994,534 1.034,535 0.793,536 1.043,537 1.473,538 0.978,539 1.109,540 1.075,541 0.986,542 1.076,543 2.066,544 0.884,545 1.421,546 1.041,547 1.807,548 1.154,549 3,551 2,552 1.375,553 1.311,554 0.438,555 0.261,556 0.075,557 0.033,558 0.016,559 2195,560 4752,561 2.127,562 48.5,563 6,564 6,567 2,568 2,572 1.574,573 2,574 2.783,575 0.353,577 1,578 1,579 1,582 47.162,583 1.429,584 3.421,585 4.15,586 4.476,587 4.597,588 4.597,589 2.257,590 3.852,591 4.06,592 2.819,593 383.419,594 6.885,595 3304.96,596 1,597 1,599 1,600 166.465,601 1.379,602 4.023,603 0.158,605 0.074,606 0.047,607 0.057,608 0.027,609 0.024,610 0.011,611 0.011,612 0.016,613 0.425,614 1,615 1,616 0.844,617 68.255,618 -0.052,619 0.041,620 0.05,621 0.041,622 -0.081,623 0.06,624 -0.062,625 -0.03,626 0.095,627 0.091,628 0.071,629 0.104,630 -0.04,631 -0.122,632 0.054,633 -0.007,634 0.053,635 0.025,636 0.039,637 -0.105,638 -0.19,639 -0.196,640 -0.016,641 -0.217,642 -0.108,643 0.005,644 -0.155,645 -0.101,646 -0.227,647 -0.121,648 0.136,649 0.023,650 -0.025,651 -0.076,652 0.067,653 -0.066,654 -0.114,655 -0.149,656 -0.099,657 -0.11,658 -0.072,659 -0.109,660 -0.359,661 -0.026,662 -0.375,663 -0.13,664 -0.439,665 -0.238,666 0.833,667 2.25,668 0.824,669 9.149,670 0.991,671 1.125,672 1.904,673 3.626,674 0.66,675 2.996,676 3.332,677 3.664,678 3.951,679 4.234,680 4.317,681 4.407,682 4.466,683 4.5,684 4.205,685 3.993,686 0.62,687 228.32,688 2.996,689 4.533,690 5.407,691 6.301,692 7.194,693 8.096,694 8.995,695 9.9,696 10.801,697 11.708,698 6.1,702 1,708 1,714 2,715 3,716 1,720 4,722 11,733 1,739 1,741 33,743 11,744 1,745 19,747 35,748 14,749 9,750 3,751 3,756 3,757 6,767 4,770 4,772 9,773 5,790 1,793 16,794 3,795 2,796 3,802 2,808 0.333,809 1,822 1,829 3,833 2,859 1,864 1,868 17,869 1,876 4,878 1,893 3,898 1,901 8.5,902 6.2,903 3.778,904 2.086,907 2.407,908 1.363,909 1.018,910 2.578,911 9.032,912 3.239,913 3.902,914 4.575,915 5.218,916 5.856,917 6.24,918 6.604,919 6.953,920 7.247,921 7.015,922 0.8,923 29,924 6.282,926 2.667,927 0.026,929 7.529,931 12.354,933 10.43,936 2.029,937 34.5,938 0.004,941 164.795,942 68.11,943 49.683,945 11,948 68.11,949 175.795,950 49.683,951 10.883,952 10.138,953 61.326,954 16.786,955 29.659,957 164.795,959 164.795,960 117.792,961 11,964 164.795,965 11,968 15.039,969 85.968,970 16.786,972 164.795,973 60.683,974 68.11,977 164.795,978 28.798,979 39.312,981 60.683,982 164.795,983 60.683,984 68.11,986 0.58,987 0.36,988 0.2,989 0.113,990 15,991 6,992 0.029,993 1,994 2,995 1.286,996 2.906,997 126.037,998 0.286,999 14,1000 67.487,1005 10.696,1006 4.097,1007 1.718,1008 1.994,1009 60.683,1010 5.904,1011 4.725,1015 4.177,1017 32.897,1018 293.588,1019 24.5,1031 32.716,1032 37.112,1034 0.283,1035 0.678,1036 0.823,1037 0.887,1038 0.911,1039 0.911,1040 4.474,1041 0.451,1042 5.398,1043 2.062,1044 4.007,1045 4.585,1046 0.908,1047 6.248,1048 3.949,1049 5.698,1051 6.98,1052 0.702,1053 3.611,1054 4.559,1056 7.217,1057 3.526,1058 7.032,1059 -0.393,1060 8.664,1062 5.631,1063 6.914,1064 0.739,1065 10.352,1066 5.529,1067 8.409,1068 -0.745,1069 10.409,1070 -0.882,1071 6.066,1072 7.717,1074 12.135,1075 5.938,1076 9.819,1077 -0.869,1078 12.191,1079 -1.818,1080 7.554,1081 9.564,1082 0.593,1083 14.799,1084 7.416,1085 11.252,1086 -1.185,1087 13.999,1088 -2.173,1089 8.379,1090 10.746,1092 16.923,1093 8.218,1094 12.703,1095 -1.437,1096 15.826,1097 -3.468,1098 9.658,1099 12.396,1100 0.469,1101 19.424,1102 9.486,1103 3.215,1104 -1.631,1105 17.667,1106 -3.917,1107 10.666,1108 13.758,1110 21.699,1111 10.473,1112 2.635,1113 11.06,1114 19.519,1115 -4.508,1116 11.864,1117 15.327,1118 0.366,1119 24.138,1120 11.658,1121 2.247,1122 8.521,1123 21.381,1124 4.574,1125 12.956,1126 16.774,1128 26.481,1129 12.73,1130 1.995,1131 6.826,1132 23.25,1133 3.542,1134 14.126,1135 18.311,1136 0.283,1137 28.898,1138 13.885,1139 1.439,1140 5.968,1141 25.125,1142 2.965,1143 15.257,1144 19.797,1146 31.272,1147 14.995,1148 1.257,1149 3.384,1150 27.005,1151 2.721,1152 16.419,1153 21.323,1154 0.217,1155 33.679,1156 16.141,1157 0.882,1158 3.073,1159 28.89,1160 1.688,1161 17.567,1162 22.827,1164 36.068,1165 17.269,1166 2170,1167 3271,1168 12.83,1169 21.796,1170 28.201,1171 28.902,1172 29.573,1173 28.207,1174 28.243,1175 36.933,1176 1.72,1177 83.191,1178 27.333,1179 5.583,1180 5.343,1181 6.455,1182 5.237,1183 5.215,1184 7.574,1185 1.72,1186 18.6,1187 5.152,1188 6.658,1189 1.484,1190 1.521,1191 1.556,1192 1.485,1193 1.486,1194 1.944,1195 0.091,1196 4.378,1197 1.439,1198 4.109,1199 4.136,1200 4.073,1201 4.035,1202 5.149,1203 4.04,1204 3.743,1205 3.786,1206 3.64,1207 3.651,1208 4.844,1209 3.642,1210 3.377,1211 3.431,1212 3.253,1213 3.193,1214 4.575,1215 3.2,1216 3.158,1217 3.247,1218 3.022,1219 2.971,1220 4.211,1221 2.969,1222 3.113,1223 3.193,1224 2.914,1225 2.887,1226 3.96,1227 2.88,1228 2.919,1229 3.018,1230 2.706,1231 2.744,1232 3.564,1233 2.725,1234 2.709,1235 2.817,1236 2.505,1237 2.517,1238 3.434,1239 2.502,1240 2.582,1241 2.654,1242 2.404,1243 2.324,1244 3.208,1245 2.338,1246 0.244,1247 0.176,1248 0.357,1249 0.221,1250 0.169,1251 4.638,1252 0.241,1253 3.343,1254 0.045,1255 6.774,1256 0.582,1257 4.195,1258 0.166,1259 3.215,1260 4.574,1261 0.86,1262 11.06,1263 3.152,1264 2.066,1265 2.043,1266 2.149,1267 2.159,1268 1.427,1269 2.157,1270 1.752,1271 1.711,1272 1.936,1273 1.88,1274 1.14,1275 1.901,1276 1.324,1277 1.275,1278 1.592,1279 1.58,1280 0.754,1281 1.582,1282 1.144,1283 1.064,1284 1.472,1285 1.409,1286 0.625,1287 1.432,1288 1.112,1289 1.03,1290 1.408,1291 1.333,1292 0.539,1293 1.367,1294 0.919,1295 0.843,1296 1.194,1297 1.178,1298 0.217,1299 1.196,1300 0.697,1301 0.606,1302 1.073,1303 0.981,1304 0.152,1305 1.02,1306 0.567,1307 0.466,1308 0.876,1309 0.799,1311 0.834,1312 3.664,1314 4.99,1316 6.55,1318 8.216,1320 9.937,1322 1.67,1326 6.25,1328 4.554,1330 5.225,1340 20.445,1341 47.162,1342 112.901,1343 136.955,1344 147.71,1345 151.71,1346 151.71,1347 19.409,1348 6.625,1349 48.14,1350 48.14,1351 18,1352 12.226,1353 3.585,1354 2.7,1355 23.611,1356 43,1357 42,1358 0.305,1359 125.831,1360 209.47,1361 298.787,1362 5543,1364 11.828,1365 0.696,1366 0.588,1367 11.828,1368 9.993,1369 8.292,1370 0.436,1371 0.318,1372 5.977,1373 8.04,1374 5.813,1375 4.822,1376 8.292,1377 6.043,1378 7.314,1379 0.271,1380 0.168,1381 7.314,1382 4.541,1383 6.651,1384 0.175,1385 0.092,1386 6.651,1387 3.514,1388 5.646,1389 0.111,1390 0.05,1391 5.646,1392 2.57,1393 4.703,1394 0.069,1395 0.028,1396 4.703,1397 1.904,1398 0.448,1399 51.564,1400 0.279,1401 16.604,1402 0.929,1403 92,1404 226.693,1405 97.959,1406 221.927,1407 313.98,1408 210,1409 111,1410 239.207,1411 117.155,1412 245.232,1413 360.63,1414 231,1415 6.456}
{0 CHEMBL303574,1 1.455,2 14.3,3 3.275,4 10.728,5 119.6,6 6.313,7 0.182,8 4.269,9 4.408,10 3.702,11 3.706,12 5.172,13 3.672,14 4.905,15 5.121,16 4.077,17 4.151,18 5.774,19 4.088,20 5.172,21 5.405,22 4.129,23 4.368,24 5.949,25 4.254,26 5.316,27 5.595,28 4.018,29 4.399,30 6.061,31 4.24,32 5.258,33 5.538,34 3.849,35 4.275,36 6.041,37 4.092,38 5.152,39 5.464,40 3.681,41 4.049,42 5.88,43 3.873,44 4.83,45 5.088,46 3.641,47 3.834,48 5.711,49 3.716,50 4.766,51 5.018,52 3.576,53 3.742,54 5.755,55 3.644,56 0.047,57 0.956,58 16.697,59 6.034,60 8.287,61 9.004,62 0.563,63 1.555,64 32.327,65 9.841,66 39.19,67 15.255,68 0.425,69 1.929,70 41.25,71 13.723,72 32.827,73 20.932,74 0.476,75 2.029,76 47.189,77 15.258,78 44.86,79 23.696,80 0.47,81 1.784,82 44.511,83 14.687,84 51.046,85 22.338,86 0.598,87 1.439,88 40.347,89 12.227,90 48.695,91 18.734,92 0.418,93 1.152,94 29.691,95 8.898,96 36.573,97 13.493,98 0.643,99 1.078,100 28.603,101 7.363,102 52.839,103 11.564,104 17,105 47,106 0.235,107 0.499,108 0.736,109 0.839,110 0.858,111 0.858,112 3.44,113 1.029,114 -3.41,115 -3.4,116 -3.25,121 34.8,122 1,123 4,125 1,126 2,127 7,130 1,144 3,145 1,146 2,161 1,176 7,179 2,180 8,183 2,185 1,187 7,191 1,192 9,197 1,200 5,206 8,211 3,214 3,218 1,219 8,224 2,227 2,231 1,232 4,235 1,237 1,239 2,243 1,244 3,247 1,249 2,251 4,255 3,259 1,264 5,269 1,272 1,277 5,281 1576,282 20.222,283 20.222,284 20.222,285 20.222,286 20.222,287 19.406,288 32.09,289 12.025,290 20.868,291 16.283,292 16.283,293 16.283,294 16.283,295 16.283,296 14.916,297 42.083,298 5.737,299 17.273,300 4.59,301 2.956,302 1.488,303 0.852,304 0.731,305 0.731,306 4.134,311 1,312 1,313 941,314 4.062,317 132.786,318 189.298,320 106.992,321 113.88,324 158.663,325 2.213,326 23.243,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 65,338 429,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 3.983,349 3.663,350 6.211,351 3.64,352 2.69,353 3.318,354 0.966,355 8.828,356 2.559,357 3.683,358 2.885,359 6.169,360 3.439,361 2.522,362 2.886,363 0.86,364 8.458,365 2.312,366 3.522,367 2.821,368 5.451,369 3.402,370 2.461,371 2.604,372 0.8,373 7.187,374 2.296,375 3.476,376 2.742,377 5.34,378 3.306,379 2.373,380 2.522,381 0.693,382 6.965,383 2.202,384 3.307,385 2.506,386 4.864,387 2.994,388 2.038,389 2.424,390 0.366,391 5.477,392 1.936,393 2.762,394 2.176,395 4.696,396 2.709,397 1.732,398 1.76,400 4.381,401 1.69,402 2.616,403 1.831,404 4.214,405 2.427,406 1.499,407 1.63,409 3.54,410 1.392,411 2.52,412 1.745,413 3.803,414 2.35,415 1.445,416 1.526,418 3.069,419 1.291,420 2.482,421 1.328,422 3.723,423 2.128,424 1.134,425 1.477,427 3.059,428 1.126,429 2.056,430 1.256,431 3.584,432 1.959,433 1.009,434 1.034,436 2.145,437 0.949,438 2,439 1.171,440 3.247,441 1.952,442 1,443 1,445 2.136,446 0.946,447 1.784,448 0.929,449 3.213,450 1.693,451 0.728,452 0.759,454 1.808,455 0.701,456 1.359,457 0.738,458 3.087,459 1.262,460 0.319,461 0.326,463 0.711,464 0.298,465 1.226,466 0.567,467 2.857,468 0.872,469 -0.073,470 -0.085,472 -0.186,473 -0.068,474 14.1,475 0.47,476 0.771,477 0.026,478 29,479 0.967,480 8.5,481 0.283,482 20.5,483 0.683,484 33.146,485 1.105,486 35.7,487 0.541,488 21.069,489 0.702,490 5.333,491 0.178,492 9.154,493 0.305,494 0.13,495 0.035,496 0.262,501 0.854,502 1.741,503 0.936,504 1.424,505 0.633,506 1.219,507 1.056,508 0.993,509 0.995,510 0.895,511 0.541,512 0.913,513 0.978,514 1.22,515 1.073,516 1.148,517 0.721,518 1.126,519 0.869,520 1.008,521 1.036,522 1.042,523 0.783,524 1.05,525 0.892,526 1.114,527 1.042,528 1.174,529 1.139,530 1.141,531 1.106,532 0.73,533 0.84,534 0.774,535 1.18,536 0.779,537 1.356,538 1.1,539 1.003,540 1.056,541 1.619,542 1.005,543 1.806,544 0.861,545 1.205,546 0.834,547 2.771,548 0.927,549 6,550 0.147,551 3.778,552 3.333,553 1.397,554 0.736,555 0.532,556 0.325,557 0.283,558 0.161,559 14240,560 28487,561 2.079,562 54.5,563 5,564 23,565 1,567 1,569 6,572 1.719,573 1.946,574 3.711,575 -0.349,577 1,582 96.016,583 1.455,584 3.088,585 4.556,586 5.192,587 5.313,588 5.313,589 3.169,590 4.64,591 4.876,592 3.956,593 1720.7,594 8.454,595 25810.6,600 398.93,601 1.524,602 4.832,603 0.182,604 0.007,605 0.08,606 0.069,607 0.034,608 0.023,609 0.019,610 0.012,611 0.011,612 0.007,613 0.445,614 0.5,615 1,616 0.551,617 158.852,618 0.008,619 -0.353,620 0.089,621 -0.157,622 -0.001,623 -0.042,624 0.082,625 0.213,626 0.054,627 0.155,628 0.174,629 0.112,630 -0.064,631 -0.098,632 -0.079,633 -0.07,634 -0.013,635 -0.078,636 -0.077,637 0.014,638 -0.073,639 -0.04,640 0.016,641 -0.048,642 -0.004,643 -0.16,644 -0.082,645 -0.17,646 -0.055,647 -0.142,648 0.009,649 0.102,650 0.14,651 0.134,652 -0.041,653 0.152,654 -0.011,655 -0.151,656 0.026,657 -0.079,658 -0.025,659 -0.036,660 -0.089,661 0.12,662 -0.11,663 0.066,664 -0.197,665 -0.02,666 2.028,667 5.243,668 0.6,669 34.973,670 0.993,671 1.14,672 2.184,673 4.772,674 0.615,675 3.526,676 3.871,677 4.174,678 4.489,679 4.673,680 4.727,681 4.898,682 4.956,683 4.927,684 4.92,685 8.359,686 0.571,687 416.63,688 3.526,689 5.081,690 5.948,691 6.853,692 7.749,693 8.672,694 9.587,695 10.522,696 11.452,697 12.396,698 6.1,701 2,704 1,705 1,715 3,720 3,722 6,736 1,737 1,741 66,743 7,744 1,745 33,747 69,748 23,749 6,750 3,751 3,756 4,757 7,763 1,764 1,766 1,767 1,770 4,772 7,773 16,777 1,782 1,786 1,793 36,794 7,795 1,796 7,802 4,808 0.5,809 3,825 1,828 2,829 2,831 1,832 1,835 1,855 2,858 1,859 2,864 3,868 30,876 11,877 1,878 2,880 1,881 3,882 1,893 4.5,896 1,897 1,898 1,901 15.417,902 12.433,903 6.569,904 4.24,907 1.247,908 1.16,909 0.937,910 6.878,911 9.034,912 3.638,913 4.103,914 4.557,915 5.059,916 5.506,917 5.737,918 6.092,919 6.329,920 6.383,921 6.393,922 1,923 48,924 11.193,926 4.717,927 0.026,929 7.508,931 22.284,933 18.87,936 2.008,937 60.25,941 411.989,942 101.846,943 27.384,945 47.145,948 101.846,949 459.133,950 27.384,951 25.618,952 47.862,953 28.429,954 36.145,955 31.559,956 18.534,957 400.217,959 411.989,960 129.23,961 47.145,964 341.362,965 106.771,966 11,968 62.936,969 66.294,972 411.989,973 74.528,974 101.846,977 411.989,978 47.8,979 63.42,980 18.011,981 47.145,982 411.989,983 74.528,984 101.846,986 0.582,987 0.343,988 0.191,989 0.099,990 23,991 10,992 0.116,993 8,994 2,995 1.222,996 4.291,997 258.907,998 0.222,999 18,1000 141.207,1005 21.878,1006 9.431,1007 4.646,1009 74.528,1010 6.051,1015 3.151,1017 18.011,1018 588.363,1019 37,1024 12.243,1028 -0.361,1031 65.527,1032 75.265,1034 0.241,1035 0.511,1036 0.754,1037 0.859,1038 0.879,1039 0.879,1040 4.931,1041 1.499,1042 5.964,1043 4.381,1044 4.554,1045 4.787,1046 2.654,1047 6.866,1048 4.449,1049 6.092,1050 1.445,1051 7.581,1052 3.54,1053 4.29,1054 4.62,1055 1.961,1056 8.207,1057 4.165,1058 7.402,1059 1.134,1060 9.327,1061 3.069,1062 6.252,1063 6.778,1064 3.576,1065 11.385,1066 6.073,1067 8.753,1068 1.009,1069 11.16,1070 3.059,1071 6.889,1072 7.465,1073 3.621,1074 13.68,1075 6.715,1076 10.152,1077 1,1078 13.055,1079 2.145,1080 8.368,1081 9.169,1082 4.921,1083 16.509,1084 8.158,1085 11.585,1086 0.728,1087 14.995,1088 2.136,1089 9.412,1090 10.243,1091 5.294,1092 19.114,1093 9.209,1094 13.046,1095 0.319,1096 16.969,1097 1.808,1098 10.752,1099 11.787,1100 6.39,1101 21.866,1102 10.526,1103 3.737,1104 -0.073,1105 18.969,1106 0.711,1107 11.965,1108 13.044,1109 6.931,1110 24.56,1111 11.736,1112 2.69,1113 15.306,1114 20.989,1115 -0.186,1116 13.275,1117 14.527,1118 7.902,1119 27.295,1120 13.028,1121 2.522,1122 8.828,1123 23.024,1124 4.206,1125 14.552,1126 15.872,1127 8.539,1128 30.013,1129 14.294,1130 2.461,1131 8.458,1132 25.07,1133 3.318,1134 15.861,1135 17.328,1136 9.436,1137 32.743,1138 15.585,1139 2.373,1140 7.187,1141 27.124,1142 2.886,1143 17.163,1144 18.717,1145 10.13,1146 35.468,1147 16.87,1148 2.038,1149 6.965,1150 29.184,1151 2.604,1152 18.475,1153 20.163,1154 10.981,1155 38.197,1156 18.163,1157 1.732,1158 5.477,1159 31.25,1160 2.522,1161 19.786,1162 21.574,1163 11.71,1164 40.924,1165 19.455,1166 13392,1167 19067,1168 21.959,1169 40.569,1170 49.581,1171 50.734,1172 51.473,1173 49.395,1174 49.37,1175 54.944,1176 11.742,1177 146.141,1178 46.707,1179 5.832,1180 5.973,1181 7.832,1182 5.817,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 14.344,1189 1.502,1190 1.537,1191 1.56,1192 1.497,1193 1.496,1194 1.665,1195 0.356,1196 4.429,1197 1.415,1198 4.092,1199 4.131,1200 4.038,1201 3.995,1202 7.435,1203 4.001,1204 3.842,1205 3.907,1206 3.713,1207 3.656,1208 4.835,1209 3.657,1210 3.722,1211 3.77,1212 3.637,1213 3.565,1214 4.627,1215 3.57,1216 3.659,1217 3.719,1218 3.523,1219 3.481,1220 4.451,1221 3.482,1222 3.446,1223 3.501,1224 3.332,1225 3.19,1226 4.234,1227 3.215,1228 3.295,1229 3.388,1230 3.123,1231 3.07,1232 4.112,1233 3.07,1234 3.247,1235 3.341,1236 3.048,1237 3.04,1238 3.983,1239 3.029,1240 3.138,1241 3.206,1242 2.977,1243 2.941,1244 3.897,1245 2.91,1246 0.146,1247 0.12,1248 0.243,1249 0.143,1250 0.113,1251 4.832,1252 0.127,1253 3.973,1254 0.066,1255 8.006,1256 0.464,1257 4.714,1258 0.111,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.903,1265 1.884,1266 2.021,1267 2.009,1268 1.361,1269 2.013,1270 1.789,1271 1.725,1272 2.003,1273 1.992,1274 1.31,1275 1.993,1276 1.65,1277 1.588,1278 1.895,1279 1.874,1280 1.193,1281 1.885,1282 1.631,1283 1.574,1284 1.832,1285 1.836,1286 1.058,1287 1.837,1288 1.534,1289 1.453,1290 1.787,1291 1.754,1292 1.013,1293 1.774,1294 1.366,1295 1.301,1296 1.643,1297 1.645,1298 0.913,1299 1.64,1300 1.227,1301 1.14,1302 1.578,1303 1.493,1304 0.825,1305 1.525,1306 1.153,1307 1.064,1308 1.513,1309 1.376,1310 0.644,1311 1.429,1312 4.205,1314 5.541,1315 3.045,1316 7.076,1317 5.638,1318 8.714,1319 7.921,1320 10.42,1322 6.664,1328 10.986,1329 2.896,1330 10.965,1332 0.369,1333 7.207,1334 0.079,1340 37.659,1341 96.016,1342 203.811,1343 300.691,1344 342.665,1345 350.665,1346 350.665,1347 51.002,1348 7.787,1349 57.28,1350 57.28,1351 22,1352 12.893,1353 3,1354 2.322,1355 47.714,1356 151,1357 158,1358 0.15,1359 229.277,1360 405.93,1361 551.196,1362 29421,1364 21.14,1365 0.705,1366 0.622,1367 21.14,1368 18.654,1369 14.487,1370 0.439,1371 0.343,1372 11.125,1373 13.774,1374 10.795,1375 8.921,1376 14.487,1377 11.323,1378 13.193,1379 0.281,1380 0.195,1381 13.193,1382 9.143,1383 11.134,1384 0.174,1385 0.11,1386 11.134,1387 7.036,1388 9.677,1389 0.11,1390 0.062,1391 9.677,1392 5.414,1393 7.439,1394 0.07,1395 0.034,1396 7.439,1397 3.61,1398 0.248,1399 91.664,1400 0.213,1401 29.258,1402 0.381,1403 160,1404 410.475,1405 177.986,1406 383.081,1407 525.41,1408 362,1409 191,1410 384.278,1411 209.575,1412 386.267,1413 572.45,1414 361,1415 5.119}
{0 CHEMBL305386,1 1.285,2 6.267,3 1.589,4 2.524,5 62.472,6 5.895,7 0.4,8 3.587,9 3.731,10 2.945,11 3.046,12 4.582,13 2.982,14 4.13,15 4.365,16 3.244,17 3.399,18 4.968,19 3.325,20 4.316,21 4.508,22 3.292,23 3.642,24 5.205,25 3.505,26 4.625,27 4.931,28 3.235,29 3.713,30 5.336,31 3.518,32 4.507,33 4.778,34 3.052,35 3.629,36 5.308,37 3.414,38 4.48,39 4.809,40 2.663,41 3.364,42 5.16,43 3.116,44 3.98,45 4.294,46 2.234,47 2.964,48 4.704,49 2.694,50 3.793,51 4.169,52 1.527,53 2.474,54 4.35,55 2.15,56 0.046,57 0.462,58 8.707,59 3.253,60 8.67,61 4.802,62 0.158,63 0.704,64 14.684,65 4.737,66 13.107,67 7.26,68 0.113,69 0.884,70 17.574,71 6.808,72 16.772,73 9.941,74 0.224,75 1.022,76 22.382,77 8.349,78 22.878,79 12.474,80 0.124,81 0.92,82 20.034,83 7.992,84 24.732,85 11.573,86 0.223,87 0.759,88 19.061,89 6.611,90 26.213,91 9.761,92 0.069,93 0.488,94 11.322,95 4.487,96 16.066,97 6.531,98 0.119,99 0.325,100 9.099,101 3.054,102 13.888,103 4.538,104 32,105 21,106 0.243,107 0.544,108 0.76,109 0.803,110 0.803,111 0.803,112 2.794,113 1.049,114 -0.5,115 -0.63,116 -0.77,121 37.1,122 1,126 3,127 1,136 1,138 1,144 4,146 2,176 4,180 2,187 4,189 3,192 1,200 1,203 3,206 1,208 1,214 2,216 1,227 5,232 1,239 3,244 2,251 2,281 226,282 9.394,283 9.394,284 9.394,285 9.394,286 9.394,287 8.502,288 13.976,289 5.497,290 9.699,291 7.333,292 7.333,293 7.333,294 7.333,295 7.333,296 5.956,297 19.974,298 2.505,299 7.755,300 3.844,301 2.252,302 1.115,303 0.886,304 0.886,305 0.886,306 3.401,311 1,312 1,313 179,314 3.464,318 52.546,325 0.987,326 6.579,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 31.5,338 94,339 4.508,340 3.751,341 7.309,342 4.313,343 3.392,344 3.887,345 1.285,346 12.51,347 3.126,348 3.824,349 2.825,350 5.416,351 3.436,352 2.489,353 3.156,354 0.86,355 7.104,356 2.357,357 3.434,358 2.525,359 4.9,360 3.043,361 2.057,362 2.605,363 0.704,364 5.259,365 2.023,366 2.919,367 1.794,368 4.303,369 2.518,370 1.562,371 2.04,373 4.123,374 1.486,375 2.572,376 1.179,377 3.496,378 2.107,379 1.117,380 1.598,382 2.546,383 1.105,384 1.583,385 0.935,386 2.952,387 1.293,388 0.428,389 0.48,391 0.621,392 0.366,393 0.885,394 0.11,395 2.679,396 0.576,397 -0.38,398 -0.408,400 -1.071,401 -0.362,402 0.688,403 -0.377,404 2.525,405 0.281,406 -0.677,407 -0.869,409 -1.453,410 -0.639,411 0.575,412 -0.6,413 2,414 0.125,415 -0.84,416 -1,418 -2,419 -0.802,420 0.324,421 -0.655,422 1.671,424 -1,425 -1.095,427 -2.314,428 -0.9,430 -0.708,431 1.52,432 -0.1,433 -1,434 -1.363,435 -0.266,436 -3,437 -1,438 -0.428,439 -1.208,440 1.301,441 -0.64,442 -1.548,443 -1.833,444 -0.4,445 -4.137,446 -1.394,447 -0.5,448 -1.278,449 1,450 -0.786,451 -1.699,452 -1.949,453 -0.4,454 -5.301,455 -1.583,456 -0.579,457 -1.613,458 0.516,459 -0.966,460 -1.899,461 -2.251,462 -0.86,463 -5.531,464 -1.783,465 -0.806,466 -2,467 0.412,468 -1,469 -2,470 -3,471 -0.923,472 -7.355,473 -2,474 7.233,475 0.482,476 0.546,477 0.036,478 16.5,479 1.1,480 7.5,481 0.5,482 9,483 0.6,484 11.491,485 0.766,486 17.667,487 0.505,488 11.261,489 0.751,490 3.593,491 0.24,492 3.361,493 0.224,494 0.346,495 0.055,496 0.207,501 0.996,502 1.681,503 1.06,504 1.406,505 1.213,506 1.259,507 1.738,508 0.781,509 0.957,510 0.664,511 0.827,512 0.709,513 1.059,514 1.555,515 1.355,516 1.492,517 1.215,518 1.456,519 0.625,520 0.819,521 0.865,522 0.85,523 0.643,524 0.869,525 0.704,526 1.261,527 1.135,528 1.316,529 1.093,530 1.275,531 1.536,532 0.682,533 0.983,534 0.737,535 1.301,536 0.806,537 0.512,538 1.127,539 0.983,540 1.204,541 0.713,542 1.15,543 1.532,544 0.428,545 0.762,546 0.468,547 1.218,548 0.549,549 5,551 2,552 1.375,553 0.8,554 0.5,555 0.164,556 0.118,559 1277,560 2583,561 1.803,562 57.1,563 3,564 17,572 1.535,573 1.622,574 2.692,575 -0.846,577 1,579 1,582 44.981,583 1.285,584 2.877,585 4.014,586 4.243,587 4.243,588 4.243,589 2.182,590 3.457,591 3.877,592 2.777,593 291.563,594 6.52,595 2399.19,597 1,600 179.525,601 1.782,602 3.765,603 0.333,605 0.095,606 0.069,607 0.042,608 0.036,609 0.018,610 0.024,613 0.617,614 0.83,615 1,616 1.697,617 58.089,618 0.083,619 -0.386,620 0.054,621 -0.208,622 -0.158,623 -0.102,624 -0.173,625 0.37,626 0.148,627 0.327,628 0.134,629 0.281,630 -0.105,631 -0.373,632 -0.309,633 -0.361,634 -0.243,635 -0.357,636 0.094,637 0.147,638 0.077,639 0.101,640 0.106,641 0.091,642 0.001,643 -0.275,644 -0.189,645 -0.292,646 -0.108,647 -0.262,648 -0.163,649 0.148,650 -0.024,651 0.129,652 -0.127,653 0.073,654 0.079,655 -0.249,656 -0.088,657 -0.25,658 0.164,659 -0.192,660 -0.123,661 0.259,662 0.149,663 0.308,664 -0.009,665 0.257,666 0.764,667 1.723,668 0.4,669 8.08,670 0.981,671 1.133,672 -0.73,673 0.532,674 0.62,675 2.773,676 3.091,677 3.178,678 3.332,679 3.367,680 3.178,681 3.091,682 2.565,683 2.079,684 1.099,685 3.94,686 0.564,687 206.34,688 2.773,689 4.29,690 5.081,691 5.958,692 6.779,693 7.659,694 8.491,695 9.37,696 10.21,697 11.087,698 2.9,712 1,715 4,720 2,722 6,739 1,741 35,743 7,744 1,745 15,747 35,748 13,749 6,750 2,751 4,756 1,757 1,763 1,772 8,773 5,777 1,778 1,786 1,790 1,793 20,794 1,796 2,802 1,803 1,807 1,808 1,809 1,829 1,848 1,850 1,859 1,864 4,868 15,876 1,878 1,883 1,893 2.9,898 1,901 9.25,902 7.5,903 3.375,904 1.951,907 1.257,908 1.238,909 0.873,910 3.668,911 6.53,912 2.996,913 3.512,914 3.876,915 4.345,916 4.756,917 4.665,918 4.799,919 4.298,920 4.202,921 2.784,922 1,923 20,924 5.506,925 -0.001,926 2.085,927 0.026,929 7.533,931 10.726,933 8.064,934 -0.001,936 2.033,937 30.5,938 0.006,941 235.422,942 103.464,945 11,948 103.464,949 246.422,951 36.501,952 17.873,953 37.905,955 22.186,957 235.422,959 235.422,960 103.464,961 11,964 235.422,965 11,968 10.931,969 92.533,972 235.422,973 11,974 103.464,977 235.422,978 13.291,979 74.406,981 26.767,982 235.422,983 11,984 103.464,986 0.581,987 0.311,988 0.161,989 0.08,990 9,991 5,992 0.114,993 4,995 1,996 2.545,997 89.846,999 6,1000 56.603,1005 11.955,1006 4.602,1007 3.186,1009 11,1010 8.172,1015 2.137,1018 349.886,1019 19,1020 3.962,1028 1.183,1031 34.323,1032 39.652,1034 0.251,1035 0.561,1036 0.783,1037 0.827,1038 0.827,1039 0.827,1040 4.227,1041 -0.677,1042 5.153,1043 -1.071,1044 3.761,1045 4.19,1046 1.77,1047 6.019,1048 3.653,1049 5.461,1050 -0.84,1051 6.77,1052 -1.453,1053 3.761,1054 4.159,1055 0.931,1056 7.445,1057 3.547,1058 6.793,1059 -1,1060 8.514,1061 -2,1062 5.493,1063 6.286,1064 1.766,1065 10.411,1066 5.241,1067 8.159,1068 -1,1069 10.337,1070 -2.314,1071 6.236,1072 6.917,1073 1.381,1074 12.603,1075 5.852,1076 9.553,1077 -1.548,1078 12.212,1079 -3,1080 7.603,1081 8.666,1082 1.953,1083 15.251,1084 7.176,1085 10.969,1086 -1.699,1087 14.12,1088 -4.137,1089 8.641,1090 9.605,1091 1.838,1092 17.677,1093 8.089,1094 12.401,1095 -1.899,1096 16.053,1097 -5.301,1098 9.898,1099 11.184,1100 2.262,1101 20.241,1102 9.287,1103 3.392,1104 -2,1105 18.002,1106 -5.531,1107 11.048,1108 12.292,1109 2.311,1110 22.736,1111 10.328,1112 2.489,1113 12.51,1114 19.962,1115 -7.355,1116 12.274,1117 13.779,1118 2.65,1119 25.274,1120 11.484,1121 2.057,1122 7.104,1123 21.931,1124 3.887,1125 13.467,1126 14.986,1127 2.793,1128 27.791,1129 12.58,1130 1.562,1131 5.259,1132 23.906,1133 3.156,1134 14.686,1135 16.42,1136 3.088,1137 30.321,1138 13.722,1139 1.117,1140 4.123,1141 25.885,1142 2.605,1143 15.896,1144 17.685,1145 3.281,1146 32.844,1147 14.842,1148 0.428,1149 2.546,1150 27.866,1151 2.04,1152 17.115,1153 19.088,1154 3.553,1155 35.372,1156 15.981,1157 -0.38,1158 0.621,1159 29.85,1160 1.598,1161 18.331,1162 20.39,1163 3.773,1164 37.898,1165 17.111,1166 1459,1167 2123,1168 8.841,1169 21.694,1170 22.483,1171 22.274,1172 23.152,1173 22.061,1174 22.088,1175 27.533,1176 5.698,1177 64.326,1178 20.925,1179 5.314,1180 5.751,1181 6.897,1182 5.313,1183 5.392,1184 6.887,1185 2.208,1186 19.864,1187 5.126,1188 9.542,1189 1.499,1190 1.485,1191 1.543,1192 1.471,1193 1.473,1194 1.836,1195 0.38,1196 4.288,1197 1.395,1198 3.997,1199 4.044,1200 3.929,1201 3.879,1202 4.878,1203 3.885,1204 3.702,1205 3.75,1206 3.59,1207 3.581,1208 4.692,1209 3.574,1210 3.44,1211 3.519,1212 3.276,1213 3.241,1214 4.41,1215 3.239,1216 3.226,1217 3.298,1218 3.028,1219 2.955,1220 4.139,1221 2.96,1222 2.874,1223 3.009,1224 2.598,1225 2.654,1226 3.567,1227 2.63,1228 2.788,1229 2.912,1230 2.499,1231 2.618,1232 3.54,1233 2.57,1234 2.775,1235 2.859,1236 2.498,1237 2.559,1238 3.467,1239 2.534,1240 2.695,1241 2.78,1242 2.413,1243 2.527,1244 3.403,1245 2.481,1246 0.301,1247 0.25,1248 0.487,1249 0.288,1250 0.226,1251 4.508,1252 0.259,1253 3.751,1254 0.086,1255 7.309,1256 0.834,1257 4.313,1258 0.208,1259 3.392,1260 3.887,1261 1.285,1262 12.51,1263 3.126,1264 1.942,1265 1.906,1266 2.075,1267 2.099,1268 1.286,1269 2.095,1270 1.697,1271 1.647,1272 1.893,1273 1.847,1274 0.975,1275 1.862,1276 1.43,1277 1.348,1278 1.728,1279 1.659,1280 0.783,1281 1.688,1282 1.185,1283 1.108,1284 1.565,1285 1.491,1286 0.571,1287 1.517,1288 0.934,1289 0.804,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.838,1295 0.747,1296 1.308,1297 1.136,1298 0.413,1299 1.203,1300 0.814,1301 0.71,1302 1.144,1303 1.003,1304 0.171,1305 1.053,1306 0.725,1307 0.652,1308 1.095,1309 0.965,1310 0.096,1311 1.018,1312 3.434,1314 4.745,1316 6.248,1318 7.84,1320 9.478,1322 8.088,1328 0.938,1330 5.223,1335 0.798,1340 19.741,1341 44.981,1342 100.712,1343 140.505,1344 148.505,1345 148.505,1346 148.505,1347 21.98,1348 5.273,1349 9.23,1350 9.23,1351 6,1352 11.633,1353 3,1354 2.322,1355 30.956,1356 34,1357 34,1358 0.473,1359 128.622,1360 220.75,1361 305.598,1362 838,1364 11.475,1365 0.765,1366 0.675,1367 11.475,1368 10.132,1369 6.954,1370 0.464,1371 0.35,1372 5.149,1373 6.663,1374 4.809,1375 4.178,1376 6.954,1377 5.244,1378 6.724,1379 0.32,1380 0.226,1381 6.724,1382 4.75,1383 4.4,1384 0.191,1385 0.113,1386 4.4,1387 2.595,1388 3.59,1389 0.133,1390 0.07,1391 3.59,1392 1.901,1393 2.298,1394 0.082,1395 0.032,1396 2.298,1397 0.909,1398 0.696,1399 43.658,1400 0.336,1401 14.979,1402 1.423,1403 72,1404 162.068,1405 77.321,1406 159.112,1407 214.4,1408 148,1409 80,1410 154.799,1411 86.488,1412 164.092,1413 227.92,1414 148,1415 5}
{0 CHEMBL305660,1 1.235,2 15.314,3 6.583,4 43.332,5 145.381,6 6.348,7 0.474,8 4.346,9 4.473,10 3.779,11 3.934,12 5.297,13 3.865,14 4.927,15 5.117,16 4.123,17 4.34,18 5.795,19 4.246,20 5.248,21 5.468,22 4.191,23 4.52,24 6.111,25 4.387,26 5.386,27 5.651,28 4.115,29 4.522,30 6.186,31 4.357,32 5.313,33 5.576,34 4.086,35 4.506,36 6.089,37 4.339,38 5.288,39 5.553,40 4.078,41 4.502,42 6.025,43 4.333,44 5.26,45 5.513,46 4.037,47 4.444,48 6.109,49 4.279,50 5.226,51 5.498,52 3.794,53 4.31,54 6.045,55 4.121,56 0.073,57 0.958,58 17.324,59 7.76,60 12.06,61 10.677,62 0.208,63 1.632,64 31.511,65 12.903,66 22.494,67 18.016,68 0.326,69 2.137,70 43.639,71 17.526,72 46.388,73 24.367,74 0.48,75 2.321,76 50.201,77 19.729,78 61.796,79 27.519,80 0.38,81 2.203,82 46.136,83 18.988,84 50.773,85 26.634,86 0.276,87 2.192,88 44.671,89 18.618,90 36.117,91 26.388,92 0.313,93 2.131,94 43.928,95 17.512,96 51.359,97 24.767,98 0.423,99 1.999,100 42.983,101 16.003,102 63.762,103 22.694,104 18,105 52,106 0.192,107 0.457,108 0.625,109 0.708,110 0.743,111 0.743,112 3.588,113 1.027,114 -6.37,115 -6.2,116 -5.76,121 43.2,122 3,123 4,125 1,127 3,129 2,144 14,145 4,159 1,176 23,180 9,187 29,192 8,200 24,205 1,206 6,214 25,218 1,219 4,227 26,232 6,239 18,244 12,251 14,256 5,264 10,268 1,269 4,277 10,281 2317,282 23.523,283 23.523,284 23.523,285 23.523,286 23.523,287 21.293,288 28.17,289 14.102,290 23.716,291 18.783,292 18.783,293 18.783,294 18.783,295 18.783,296 15.518,297 35.681,298 6.723,299 19.104,300 4.975,301 3.267,302 2.181,303 1.646,304 1.423,305 1.423,306 4.283,312 1,313 1151,314 4.359,318 563.289,325 2.459,326 22.225,329 0.75,330 0.5,331 0.67,332 0.9,333 1,334 0.83,335 1,336 0.81,337 72.5,338 536,339 4.448,340 3.609,341 7.111,342 4.315,343 3.315,344 3.887,345 1.652,346 11.658,347 3.315,348 4.255,349 3.534,350 6.515,351 3.999,352 3.032,353 3.73,354 1.277,355 10.259,356 2.934,357 4.086,358 3.525,359 6.018,360 3.792,361 2.769,362 3.41,363 0.8,364 8.54,365 2.829,366 3.736,367 2.904,368 5.483,369 3.562,370 2.619,371 3.298,372 0.249,373 7.36,374 2.465,375 3.643,376 2.527,377 5.247,378 3.278,379 2.278,380 2.664,382 6.4,383 2.278,384 3.269,385 2.361,386 5.127,387 3.11,388 2.181,389 2.407,391 6.365,392 2.023,393 3.207,394 2.17,395 4.686,396 2.875,397 1.865,398 2.362,400 5.05,401 1.875,402 3.033,403 1.786,404 4.164,405 2.662,406 1.673,407 2.124,409 3.767,410 1.651,411 2.781,412 1.494,413 4.118,414 2.39,415 1.394,416 1.908,418 3.669,419 1.386,420 2.689,421 1.422,422 3.555,423 2.317,424 1.317,425 1.712,427 2.88,428 1.317,429 2.5,430 1.38,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.5,439 1.077,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.5,448 1.055,449 3.407,450 2,451 1,452 1.5,454 2.236,455 1,456 2.177,457 1,458 3.286,459 1.984,460 1,461 1.1,463 2.136,464 0.983,465 2.003,466 1,467 3.247,468 1.949,469 0.941,470 1,472 2.136,473 0.94,474 17.067,475 0.488,476 0.86,477 0.025,478 40,479 1.143,480 19.5,481 0.557,482 20.5,483 0.586,484 36.872,485 1.053,486 38.133,487 0.515,488 29.836,489 0.852,490 7.426,491 0.212,492 9.472,493 0.271,494 0.107,495 0.029,496 0.229,501 0.732,502 1.216,503 0.951,504 1.13,505 0.666,506 1.067,507 1.159,508 1.068,509 1.013,510 1.029,511 0.691,512 1.006,513 1.392,514 1.144,515 1.151,516 1.145,517 1.028,518 1.129,519 1.45,520 0.922,521 1.022,522 0.939,523 1.177,524 0.95,525 1.022,526 0.96,527 0.975,528 0.967,529 1.059,530 0.972,531 0.773,532 1.025,533 0.949,534 1.004,535 0.695,536 0.992,537 1.141,538 1.176,539 1.085,540 1.122,541 1.407,542 1.102,543 1.763,544 1.026,545 1.207,546 0.988,547 2.309,548 1.045,549 7,550 0.157,551 4,552 1.875,553 1.347,554 0.965,555 0.607,556 0.467,557 0.274,558 0.162,559 21146,560 41226,561 2.068,562 52.7,563 9,564 22,568 2,569 2,570 4,572 1.761,573 1.953,574 3.814,575 -0.907,582 91.369,583 1.235,584 2.943,585 4.029,586 4.563,587 4.787,588 4.787,589 3.248,590 4.193,591 5.102,592 4.111,593 2445.94,594 8.919,595 41704.5,600 459.5,601 1.412,602 5.063,603 0.184,604 0.006,605 0.077,606 0.036,607 0.029,608 0.021,609 0.013,610 0.011,611 0.009,612 0.006,613 0.391,614 0.5,615 0.75,616 0.651,617 194.926,618 0.039,619 -0.062,620 0.057,621 -0.013,622 -0.036,623 0.017,624 -0.037,625 0.034,626 0.009,627 0.008,628 0.021,629 0.014,630 -0.076,631 -0.108,632 -0.129,633 -0.139,634 -0.013,635 -0.136,636 -0.027,637 0.043,638 -0.006,639 0.029,640 -0.012,641 0.014,642 0.023,643 0.014,644 0.013,645 0.022,646 -0.032,647 0.016,648 0.01,649 -0.037,650 0.022,651 -0.009,652 -0.014,653 0.004,654 -0.031,655 -0.173,656 -0.086,657 -0.139,658 -0.039,659 -0.121,660 -0.219,661 -0.04,662 -0.179,663 -0.047,664 -0.296,665 -0.103,666 1.419,667 5.652,668 0.686,669 43.154,670 0.98,671 1.119,672 5.139,673 26.405,674 0.654,675 3.664,676 3.97,677 4.174,678 4.357,679 4.575,680 4.595,681 4.71,682 4.673,683 4.727,684 4.727,685 9.292,686 0.601,687 469.72,688 3.664,689 5.198,690 6.023,691 6.882,692 7.724,693 8.585,694 9.433,695 10.296,696 11.146,697 12.009,698 1.4,701 1,715 14,720 4,722 18,727 1,741 74,743 19,744 3,745 38,747 77,748 32,749 18,750 4,751 14,752 1,756 4,757 4,763 3,764 1,767 3,770 6,772 19,773 13,777 1,782 1,786 1,793 39,794 3,796 3,802 1,808 1,809 2,829 4,855 1,858 1,859 4,864 3,868 35,876 7,878 1,880 2,881 1,882 1,893 2.7,896 1,897 1,901 17.917,902 13.867,903 7.667,904 4.731,907 2.051,908 1.267,909 0.953,910 8.545,911 9.727,912 3.892,913 4.401,914 4.873,915 5.328,916 5.814,917 5.852,918 6.158,919 6.141,920 6.334,921 6.448,922 0.9,923 52,924 13.037,926 5.435,927 0.026,929 7.479,931 25.855,933 21.578,936 1.979,937 69.25,941 459.073,942 193.474,943 3.124,945 36.145,948 193.474,949 495.218,950 3.124,951 26.476,952 16.455,953 132.667,954 41.278,955 15.867,957 459.073,959 459.073,960 196.598,961 36.145,964 388.446,965 95.772,966 11,968 46.055,969 150.543,972 459.073,973 39.269,974 193.474,977 459.073,978 34.331,979 162.267,981 36.145,982 459.073,983 39.269,984 193.474,986 0.579,987 0.324,988 0.164,989 0.091,990 23,991 10,992 0.13,993 10,995 1,996 4.697,997 310.834,999 24,1000 146.77,1005 25.356,1006 11.796,1007 7.131,1009 39.269,1010 29.201,1015 4.504,1018 691.816,1019 48,1024 12.652,1028 0.247,1031 72.545,1032 82.806,1034 0.199,1035 0.474,1036 0.649,1037 0.735,1038 0.771,1039 0.771,1040 5.127,1041 1.673,1042 6.014,1043 5.05,1044 4.654,1045 5.088,1046 2.299,1047 6.806,1048 4.622,1049 6.3,1050 1.394,1051 7.568,1052 3.767,1053 4.29,1054 4.691,1055 1.327,1056 7.881,1057 4.251,1058 7.583,1059 1.317,1060 9.237,1061 3.669,1062 6.271,1063 7.126,1064 2.814,1065 10.874,1066 6.212,1067 8.9,1068 1,1069 10.98,1070 2.88,1071 6.746,1072 7.514,1073 2.374,1074 12.798,1075 6.688,1076 10.25,1077 1,1078 12.772,1079 2.275,1080 8.213,1081 9.451,1082 3.517,1083 15.374,1084 8.14,1085 11.625,1086 1,1087 14.597,1088 2.275,1089 9.061,1090 10.22,1091 3.422,1092 17.609,1093 8.993,1094 13.019,1095 1,1096 16.448,1097 2.236,1098 10.33,1099 11.916,1100 4.327,1101 20.072,1102 10.253,1103 3.315,1104 0.941,1105 18.317,1106 2.136,1107 11.351,1108 12.897,1109 4.46,1110 22.426,1111 11.278,1112 3.032,1113 11.658,1114 20.201,1115 2.136,1116 12.547,1117 14.455,1118 5.208,1119 24.861,1120 12.47,1121 2.769,1122 10.259,1123 22.096,1124 3.887,1125 13.647,1126 15.565,1127 5.487,1128 27.263,1129 13.573,1130 2.619,1131 8.54,1132 24.001,1133 3.73,1134 14.82,1135 17.039,1136 6.135,1137 29.695,1138 14.745,1139 2.278,1140 7.36,1141 25.913,1142 3.41,1143 15.958,1144 18.231,1145 6.504,1146 32.118,1147 15.885,1148 2.181,1149 6.4,1150 27.832,1151 3.298,1152 17.127,1153 19.654,1154 7.092,1155 34.552,1156 17.054,1157 1.865,1158 6.365,1159 29.756,1160 2.664,1161 18.284,1162 20.898,1163 7.516,1164 36.986,1165 18.214,1166 20110,1167 28208,1168 25.424,1169 48.381,1170 57.234,1171 57.609,1172 56.665,1173 56.383,1174 56.384,1175 70.13,1176 7.957,1177 158.082,1178 55.519,1179 5.448,1180 5.609,1181 6.913,1182 5.388,1183 5.315,1184 6.887,1185 2.929,1186 18.551,1187 5.315,1188 16.817,1189 1.506,1190 1.516,1191 1.491,1192 1.484,1193 1.484,1194 1.846,1195 0.209,1196 4.16,1197 1.461,1198 4.026,1199 4.057,1200 3.955,1201 3.956,1202 7.427,1203 3.951,1204 3.966,1205 3.99,1206 3.904,1207 3.909,1208 4.852,1209 3.904,1210 3.843,1211 3.903,1212 3.729,1213 3.753,1214 4.715,1215 3.743,1216 3.808,1217 3.841,1218 3.725,1219 3.694,1220 4.688,1221 3.693,1222 3.668,1223 3.715,1224 3.549,1225 3.547,1226 4.499,1227 3.54,1228 3.506,1229 3.57,1230 3.346,1231 3.375,1232 4.219,1233 3.358,1234 3.253,1235 3.295,1236 3.144,1237 3.079,1238 4.194,1239 3.085,1240 3.111,1241 3.206,1242 2.982,1243 2.946,1244 3.846,1245 2.949,1246 0.117,1247 0.095,1248 0.187,1249 0.114,1250 0.087,1251 4.448,1252 0.102,1253 3.609,1254 0.043,1255 7.111,1256 0.307,1257 4.315,1258 0.087,1259 3.315,1260 3.887,1261 1.652,1262 11.658,1263 3.315,1264 1.973,1265 1.949,1266 2.1,1267 2.073,1268 1.41,1269 2.081,1270 1.969,1271 1.946,1272 2.086,1273 2.051,1274 1.294,1275 2.065,1276 1.825,1277 1.794,1278 2.03,1279 1.996,1280 1.221,1281 2.012,1282 1.824,1283 1.766,1284 1.961,1285 1.905,1286 1.184,1287 1.926,1288 1.669,1289 1.622,1290 1.894,1291 1.829,1292 1.01,1293 1.852,1294 1.523,1295 1.461,1296 1.782,1297 1.691,1298 0.939,1299 1.725,1300 1.201,1301 1.16,1302 1.513,1303 1.43,1304 0.825,1305 1.429,1306 1.153,1307 1.064,1308 1.421,1309 1.376,1310 0.649,1311 1.426,1312 4.344,1314 5.652,1316 7.152,1318 8.729,1320 10.344,1322 6.588,1328 6.582,1330 6.665,1332 0.218,1333 2.482,1334 0.111,1340 44.46,1341 91.369,1342 217.778,1343 298.118,1344 337.686,1345 354.215,1346 354.215,1347 69.719,1348 7.676,1349 29.54,1350 29.54,1351 24,1352 12.56,1353 4.322,1354 3.459,1355 60.003,1356 201,1357 170,1358 0.144,1359 273.665,1360 482.2,1361 659.502,1362 25252,1364 24.675,1365 0.705,1366 0.613,1367 24.675,1368 21.451,1369 16.898,1370 0.445,1371 0.342,1372 12.937,1373 16.606,1374 12.471,1375 10.412,1376 16.898,1377 13.014,1378 15.468,1379 0.297,1380 0.206,1381 15.468,1382 10.733,1383 12.156,1384 0.19,1385 0.11,1386 12.156,1387 7.019,1388 9.554,1389 0.124,1390 0.063,1391 9.554,1392 4.83,1393 7.668,1394 0.08,1395 0.036,1396 7.668,1397 3.416,1398 0.237,1399 103.394,1400 0.198,1401 33.142,1402 0.366,1403 180,1404 395.116,1405 188.393,1406 390.509,1407 538.44,1408 368,1409 206,1410 391.204,1411 215.142,1412 403.857,1413 585.2,1414 380,1415 5.126}
{0 CHEMBL305670,1 1.543,2 7.316,3 1.815,4 3.292,5 73.102,6 6.878,7 0.286,8 3.745,9 3.878,10 3.25,11 3.206,12 4.766,13 3.192,14 4.333,15 4.532,16 3.676,17 3.658,18 5.351,19 3.622,20 4.573,21 4.771,22 3.734,23 3.853,24 5.51,25 3.78,26 4.723,27 4.968,28 3.563,29 3.855,30 5.631,31 3.735,32 4.605,33 4.863,34 3.336,35 3.685,36 5.486,37 3.523,38 4.481,39 4.788,40 3.04,41 3.353,42 5.268,43 3.187,44 3.994,45 4.24,46 2.938,47 2.976,48 5.005,49 2.902,50 3.844,51 4.071,52 2.756,53 2.809,54 5.07,55 2.75,56 0.021,57 0.571,58 8.888,59 3.279,60 6.605,61 4.768,62 0.37,63 0.927,64 17.287,65 5.583,66 31.151,67 8.349,68 0.157,69 1.132,70 21.695,71 7.647,72 23.957,73 11.179,74 0.345,75 1.179,76 26.343,77 8.184,78 40.598,79 12.382,80 0.212,81 0.99,82 23.191,83 8.008,84 31.871,85 11.959,86 0.344,87 0.734,88 21.731,89 6.359,90 35.447,91 9.741,92 0.247,93 0.5,94 13.088,95 3.629,96 21.939,97 5.423,98 0.277,99 0.448,100 11.344,101 2.529,102 35.423,103 4.004,104 20,105 32,106 0.283,107 0.639,108 0.821,109 0.873,110 0.873,111 0.873,112 3.012,113 0.938,114 -2.84,115 -2.85,116 -2.76,121 36.8,122 1,123 1,125 1,126 2,127 1,130 1,144 3,145 1,146 2,161 1,176 5,179 1,180 5,183 3,185 2,187 6,192 6,197 2,200 5,206 3,211 4,214 3,218 1,219 4,224 3,227 2,232 1,235 1,237 1,243 1,244 2,247 1,249 2,259 1,260 1,281 380,282 12.626,283 12.626,284 12.626,285 12.626,286 12.626,287 11.81,288 21.185,289 7.078,290 12.974,291 10.25,292 10.25,293 10.25,294 10.25,295 10.25,296 8.861,297 28.553,298 3.23,299 10.751,300 3.704,301 1.758,302 0.764,303 0.481,304 0.481,305 0.481,306 3.681,310 1,311 1,312 1,313 299,314 3.24,317 63.564,318 36.442,320 51.233,321 55.53,324 77.068,325 1.141,326 15.453,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 41.5,338 139,339 4.809,340 3.935,341 7.956,342 4.685,343 3.705,344 4.198,345 2.186,346 15.054,347 3.637,348 3.956,349 3.657,350 6.18,351 3.612,352 2.659,353 3.289,354 0.886,355 8.773,356 2.536,357 3.661,358 2.75,359 5.942,360 3.393,361 2.455,362 2.858,363 0.4,364 7.804,365 2.282,366 3.426,367 2.679,368 5.414,369 3.134,370 2.182,371 2.585,372 0.366,373 6.815,374 2.059,375 3.112,376 2.249,377 4.74,378 2.807,379 1.848,380 2.213,382 5.132,383 1.761,384 2.52,385 1.43,386 4.198,387 2.183,388 1.217,389 1.526,391 3.026,392 1.173,393 2.201,394 1.119,395 3.704,396 2.039,397 1.061,398 1.19,400 2.637,401 1.035,402 1.696,403 1.106,404 3.649,405 1.579,406 0.638,407 0.664,409 1.642,410 0.598,411 1.501,412 0.89,413 3.029,414 1.295,415 0.377,416 0.401,418 0.571,419 0.342,420 1.198,421 0.618,422 2.907,423 0.805,424 -0.164,425 -0.205,427 -0.367,428 -0.156,429 0.698,430 -0.167,431 2.445,432 0.362,433 -0.602,434 -0.63,436 -1.55,437 -0.576,438 0.552,439 -0.398,440 2.288,441 0.271,442 -0.712,443 -0.844,445 -1.943,446 -0.694,447 0.344,448 -0.654,449 2.201,450 0.082,451 -0.909,452 -1.233,454 -2.686,455 -0.894,456 -0.167,457 -0.874,458 1.922,459 -0.375,460 -1.339,461 -1.414,463 -3.081,464 -1.275,465 -0.318,466 -1.093,467 1.785,468 -0.455,469 -1.414,470 -1.659,472 -4.041,473 -1.369,474 8.867,475 0.467,476 0.613,477 0.032,478 21.5,479 1.132,480 8.5,481 0.447,482 13,483 0.684,484 16.219,485 0.854,486 21.733,487 0.572,488 14.424,489 0.759,490 4.138,491 0.218,492 4.921,493 0.259,494 0.207,495 0.056,496 0.327,501 0.85,502 1.549,503 0.852,504 1.247,505 0.629,506 1.067,507 0.672,508 0.84,509 0.787,510 0.772,511 0.41,512 0.776,513 0.944,514 1.307,515 1.001,516 1.211,517 0.665,518 1.132,519 1.154,520 0.987,521 1.182,522 1.039,523 0.956,524 1.097,525 0.687,526 1.2,527 1.043,528 1.314,529 0.812,530 1.255,531 1.03,532 0.764,533 0.814,534 0.8,535 0.836,536 0.79,537 1.406,538 1.015,539 0.953,540 0.948,541 1.378,542 0.908,543 1.931,544 1.022,545 1.409,546 0.987,547 3.167,548 1.093,549 5,551 3.333,552 2.674,553 0.961,554 0.615,555 0.375,556 0.287,557 0.118,558 0.025,559 2876,560 7103,561 2.038,562 50,563 3,564 11,565 1,567 2,569 2,572 1.606,573 1.854,574 2.834,575 0.393,577 1,579 1,582 58.653,583 1.543,584 3.49,585 4.484,586 4.767,587 4.767,588 4.767,589 2.234,590 4.037,591 4.216,592 2.968,593 507.444,594 7.2,595 4788.16,596 1,597 1,599 1,600 199.421,601 1.747,602 4.142,603 0.238,605 0.104,606 0.081,607 0.037,608 0.032,609 0.027,610 0.022,611 0.012,612 0.008,613 0.562,614 0.83,615 1,616 1.368,617 80.314,618 -0.052,619 -0.239,620 0.064,621 -0.088,622 -0.056,623 -0.004,624 0.264,625 0.346,626 0.175,627 0.263,628 0.231,629 0.22,630 -0.086,631 -0.197,632 -0.067,633 -0.128,634 0.018,635 -0.101,636 -0.201,637 0.033,638 -0.218,639 -0.054,640 -0.087,641 -0.123,642 0.06,643 -0.255,644 -0.111,645 -0.294,646 -0.025,647 -0.241,648 0.041,649 0.009,650 0.188,651 0.112,652 -0.01,653 0.163,654 0.028,655 -0.123,656 0.088,657 -0.026,658 -0.005,659 0.018,660 -0.216,661 -0.014,662 -0.326,663 -0.146,664 -0.272,665 -0.246,666 2.099,667 4.297,668 0.632,669 12.316,670 1.001,671 1.138,672 1.613,673 2.601,674 0.632,675 3.091,676 3.497,677 3.85,678 4.174,679 4.369,680 4.466,681 4.635,682 4.673,683 4.575,684 4.454,685 4.433,686 0.598,687 261.36,688 3.091,689 4.673,690 5.572,691 6.509,692 7.435,693 8.382,694 9.321,695 10.273,696 11.219,697 12.174,698 7.9,700 1,704 1,705 1,715 3,720 3,722 6,736 1,737 1,741 38,743 7,744 1,745 21,747 40,748 14,749 6,750 3,751 3,756 3,757 6,763 1,764 1,766 1,767 1,770 1,772 7,773 7,777 1,782 1,786 1,789 1,790 1,793 19,794 5,795 2,796 5,802 3,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,853 1,859 1,864 3,868 19,876 2,877 2,878 1,880 1,881 1,882 1,893 5.3,896 1,898 1,901 10.25,902 7.617,903 4.125,904 2.24,907 1.326,908 1.196,909 0.944,910 2.947,911 8.108,912 3.258,913 3.818,914 4.347,915 4.886,916 5.372,917 5.617,918 5.971,919 6.183,920 6.154,921 6.056,922 0.8,923 33,924 7.03,926 3.012,927 0.026,929 7.697,931 13.619,933 11.57,936 2.197,937 41.75,938 0.001,941 200.109,942 76.635,943 39.146,945 36.145,948 76.635,949 236.254,950 39.146,951 25.618,952 22.651,953 46.439,954 25.145,955 25.31,956 18.534,957 188.338,959 200.109,960 115.781,961 36.145,964 176.567,965 59.687,968 49.487,969 66.294,972 200.109,973 75.291,974 76.635,977 200.109,978 22.588,979 57.171,980 36.022,981 36.145,982 200.109,983 75.291,984 76.635,986 0.598,987 0.371,988 0.197,989 0.102,990 18,991 8,992 0.05,993 2,994 2,995 1.333,996 3.01,997 149.261,998 0.333,999 12,1000 80.711,1005 12.758,1006 4.389,1007 1.817,1009 75.291,1010 5.863,1015 3.065,1017 36.022,1018 352.035,1019 25,1024 11.297,1028 -0.433,1031 38.029,1032 43.235,1034 0.294,1035 0.665,1036 0.854,1037 0.908,1038 0.908,1039 0.908,1040 4.57,1041 0.638,1042 5.638,1043 2.637,1044 4.174,1045 4.5,1046 2.41,1047 6.613,1048 4.09,1049 5.794,1050 0.377,1051 7.313,1052 1.642,1053 4.111,1054 4.494,1055 1.847,1056 8.084,1057 4.019,1058 7.149,1059 -0.164,1060 9.108,1061 0.571,1062 5.974,1063 6.623,1064 3.516,1065 11.245,1066 5.834,1067 8.545,1068 -0.602,1069 10.98,1070 -0.367,1071 6.746,1072 7.388,1073 3.601,1074 13.571,1075 6.612,1076 9.978,1077 -0.712,1078 12.905,1079 -1.55,1080 8.183,1081 9.089,1082 4.909,1083 16.389,1084 8.02,1085 11.438,1086 -0.909,1087 14.866,1088 -1.943,1089 9.293,1090 10.193,1091 5.291,1092 18.99,1093 9.131,1094 12.92,1095 -1.339,1096 16.856,1097 -2.686,1098 10.62,1099 11.741,1100 6.388,1101 21.728,1102 10.439,1103 3.705,1104 -1.414,1105 18.865,1106 -3.081,1107 11.856,1108 13.007,1109 6.93,1110 24.408,1111 11.668,1112 2.659,1113 15.054,1114 20.891,1115 -4.041,1116 13.16,1117 14.493,1118 7.902,1119 27.127,1120 12.956,1121 2.455,1122 8.773,1123 22.928,1124 4.198,1125 14.442,1126 15.84,1127 8.539,1128 29.829,1129 14.225,1130 2.182,1131 7.804,1132 24.974,1133 3.289,1134 15.745,1135 17.298,1136 9.436,1137 32.543,1138 15.512,1139 1.848,1140 6.815,1141 27.027,1142 2.858,1143 17.043,1144 18.687,1145 10.13,1146 35.252,1147 16.795,1148 1.217,1149 5.132,1150 29.085,1151 2.585,1152 18.349,1153 20.132,1154 10.981,1155 37.964,1156 18.083,1157 1.061,1158 3.026,1159 31.147,1160 2.213,1161 19.654,1162 21.543,1163 11.71,1164 40.675,1165 19.371,1166 2912,1167 4650,1168 13.523,1169 24.017,1170 32.349,1171 33.629,1172 34.804,1173 32.226,1174 32.282,1175 37.848,1176 7.677,1177 102.908,1178 30.847,1179 5.773,1180 5.935,1181 7.507,1182 5.75,1183 5.705,1184 7.198,1185 3.889,1186 23.395,1187 5.637,1188 10.207,1189 1.54,1190 1.601,1191 1.657,1192 1.535,1193 1.537,1194 1.802,1195 0.366,1196 4.9,1197 1.469,1198 4.083,1199 4.12,1200 4.029,1201 3.989,1202 7.435,1203 3.994,1204 3.692,1205 3.732,1206 3.611,1207 3.545,1208 4.837,1209 3.549,1210 3.509,1211 3.577,1212 3.41,1213 3.208,1214 4.468,1215 3.251,1216 3.291,1217 3.388,1218 3.117,1219 3.059,1220 4.22,1221 3.06,1222 3.137,1223 3.239,1224 2.919,1225 2.933,1226 4.037,1227 2.915,1228 2.969,1229 3.014,1230 2.77,1231 2.699,1232 3.858,1233 2.703,1234 2.775,1235 2.849,1236 2.586,1237 2.611,1238 3.769,1239 2.599,1240 2.726,1241 2.842,1242 2.465,1243 2.484,1244 3.495,1245 2.47,1246 0.229,1247 0.187,1248 0.379,1249 0.223,1250 0.176,1251 4.809,1252 0.2,1253 3.935,1254 0.104,1255 7.956,1256 0.717,1257 4.685,1258 0.173,1259 3.705,1260 4.198,1261 2.186,1262 15.054,1263 3.637,1264 1.903,1265 1.884,1266 2.004,1267 1.994,1268 1.31,1269 1.995,1270 1.627,1271 1.573,1272 1.831,1273 1.811,1274 1.035,1275 1.819,1276 1.466,1277 1.386,1278 1.72,1279 1.758,1280 0.951,1281 1.743,1282 1.394,1283 1.316,1284 1.686,1285 1.685,1286 0.682,1287 1.694,1288 1.191,1289 1.096,1290 1.554,1291 1.459,1292 0.633,1293 1.495,1294 0.879,1295 0.833,1296 1.266,1297 1.209,1298 0.408,1299 1.198,1300 0.842,1301 0.739,1302 1.102,1303 1.145,1304 0.157,1305 1.174,1306 0.754,1307 0.675,1308 1.018,1309 0.96,1310 0.084,1311 0.997,1312 3.761,1314 5.142,1315 3.045,1316 6.727,1317 5.587,1318 8.413,1319 7.84,1320 10.161,1322 5.928,1328 2.115,1329 5.995,1330 5.229,1332 0.331,1333 2.27,1334 0.089,1340 22.708,1341 58.653,1342 132.609,1343 170.402,1344 181.157,1345 181.157,1346 181.157,1347 26.057,1348 6.782,1349 53.6,1350 53.6,1351 16,1352 12.662,1353 3,1354 2.322,1355 27.752,1356 50,1357 58,1358 0.291,1359 139.549,1360 242.8,1361 332.259,1362 6395,1364 13.621,1365 0.717,1366 0.605,1367 13.621,1368 11.487,1369 9.059,1370 0.431,1371 0.313,1372 6.445,1373 8.62,1374 6.196,1375 5.162,1376 9.059,1377 6.564,1378 8.562,1379 0.268,1380 0.17,1381 8.562,1382 5.454,1383 7.68,1384 0.167,1385 0.095,1386 7.68,1387 4.351,1388 6.459,1389 0.101,1390 0.052,1391 6.459,1392 3.318,1393 4.995,1394 0.064,1395 0.028,1396 4.995,1397 2.168,1398 0.432,1399 57.38,1400 0.272,1401 18.445,1402 0.867,1403 106,1404 287.782,1405 118.332,1406 273.091,1407 377.79,1408 256,1409 131,1410 285.543,1411 142.977,1412 287.543,1413 427.22,1414 269,1415 7.658}
{0 CHEMBL306175,1 1.414,2 12.63,3 5.029,4 25.295,5 114.283,6 7.092,7 0.4,8 4.06,9 4.186,10 3.595,11 3.662,12 4.998,13 3.601,14 4.655,15 4.843,16 3.958,17 4.098,18 5.525,19 4.003,20 4.975,21 5.21,22 4.006,23 4.254,24 5.815,25 4.105,26 5.022,27 5.285,28 3.834,29 4.184,30 5.827,31 3.999,32 4.924,33 5.209,34 3.751,35 4.063,36 5.68,37 3.886,38 4.795,39 5.03,40 3.747,41 4.007,42 5.726,43 3.851,44 4.752,45 4.997,46 3.52,47 3.942,48 5.603,49 3.754,50 4.658,51 4.946,52 3.391,53 3.824,54 5.309,55 3.623,56 0.044,57 0.742,58 11.99,59 5.323,60 5.397,61 7.389,62 0.141,63 1.284,64 23.542,65 9.319,66 13.394,67 13.148,68 0.235,69 1.619,70 35.371,71 13.309,72 32.227,73 18.583,74 0.346,75 1.598,76 40.511,77 14.076,78 42.34,79 19.579,80 0.245,81 1.446,82 34.719,83 12.783,84 28.37,85 17.923,86 0.338,87 1.253,88 32.835,89 11.228,90 41.338,91 15.129,92 0.328,93 1.208,94 31.022,95 10.874,96 42.101,97 14.823,98 0.149,99 1.135,100 26.041,101 10.033,102 18.797,103 14.292,104 5,105 41,106 0.236,107 0.547,108 0.753,109 0.86,110 0.867,111 0.867,112 3.339,113 1.042,114 -5.55,115 -5.43,116 -5.07,121 42.6,123 5,124 1,127 4,144 7,145 3,146 2,159 1,176 13,180 5,185 3,187 16,192 5,197 2,200 13,206 7,211 1,214 9,219 5,227 10,235 1,237 1,239 15,243 1,244 1,249 1,251 12,256 2,261 1,264 7,269 3,274 2,277 5,281 1119,282 18.516,283 18.516,284 18.516,285 18.516,286 18.516,287 16.896,288 22.004,289 10.993,290 18.766,291 14.809,292 14.809,293 14.809,294 14.809,295 14.809,296 12.329,297 25.598,298 5.239,299 15.251,300 4.341,301 2.473,302 1.235,303 0.593,304 0.556,305 0.556,306 4.039,308 1,311 1,312 1,313 753,314 3.082,317 73.253,318 272.131,321 126.27,325 2.115,326 18.783,329 0.75,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.89,337 56.333,338 341,339 4.342,340 3.607,341 6.257,342 3.986,343 2.989,344 3.981,345 1.277,346 9.438,347 2.985,348 4.177,349 3.245,350 6.063,351 3.798,352 2.854,353 3.779,354 0.916,355 8.759,356 2.688,357 3.908,358 3.074,359 5.904,360 3.641,361 2.643,362 3.247,363 0.4,364 8.17,365 2.63,366 3.622,367 2.824,368 5.463,369 3.519,370 2.539,371 2.644,372 0.172,373 7.266,374 2.481,375 3.2,376 2.338,377 5.109,378 3.081,379 2.14,380 2.258,382 6.275,383 1.994,384 2.899,385 1.96,386 4.405,387 2.531,388 1.535,389 2.036,391 4.287,392 1.531,393 2.875,394 1.861,395 4.172,396 2.504,397 1.505,398 2.024,400 3.806,401 1.495,402 2.856,403 1.759,404 4.127,405 2.406,406 1.414,407 1.937,409 3.659,410 1.403,411 2.773,412 1.499,413 3.598,414 2.332,415 1.408,416 1.837,418 2.968,419 1.227,420 2.178,421 1.251,422 3.437,423 2.021,424 1.056,425 1.151,427 2.384,428 1.017,429 2,430 1.087,431 3.414,432 1.984,433 1,434 1,436 2.275,437 0.983,438 1.777,439 1.077,440 3.144,441 1.617,442 0.606,443 0.678,445 1.406,446 0.608,447 1.619,448 0.606,449 2.999,450 1.356,451 0.373,452 0.442,454 0.914,455 0.364,456 1.392,457 0.586,458 2.827,459 1.129,460 0.18,461 0.208,463 0.421,464 0.158,465 0.889,466 0.179,467 2.392,468 0.622,469 -0.298,470 -0.332,472 -0.665,473 -0.235,474 13.348,475 0.494,476 0.571,477 0.021,478 30.75,479 1.139,480 14,481 0.519,482 16.75,483 0.62,484 25.93,485 0.96,486 29.252,487 0.542,488 19.309,489 0.715,490 5.577,491 0.207,492 7.61,493 0.282,494 0.078,496 0.292,501 0.657,502 1.241,503 0.716,504 1.003,505 0.51,506 0.975,507 0.848,508 1.134,509 0.816,510 0.985,511 0.556,512 1.006,513 0.943,514 1.099,515 0.925,516 1.045,517 0.849,518 1.061,519 1.07,520 1.032,521 1.086,522 1.088,523 1.173,524 1.076,525 0.852,526 0.886,527 0.747,528 0.865,529 1,530 0.862,531 1.525,532 0.966,533 1.225,534 1.057,535 1.938,536 1.055,537 1.376,538 1.003,539 1.261,540 1.117,541 1.758,542 1.152,543 0.481,544 0.991,545 0.775,546 0.976,547 0.428,548 0.98,549 5,550 0.114,551 3.111,552 1.132,553 1.333,554 0.677,555 0.392,556 0.294,557 0.186,558 0.108,559 10837,560 24680,561 2.142,562 50,563 3,564 15,567 1,568 2,569 6,572 1.692,573 2.051,574 3.612,575 -0.419,582 76.34,583 1.414,584 3.282,585 4.52,586 5.162,587 5.199,588 5.199,589 3.074,590 4.607,591 4.729,592 3.816,593 1339.57,594 8.16,595 18334.4,597 1,600 310.764,601 1.218,602 4.706,603 0.167,604 0.006,605 0.076,606 0.029,607 0.043,608 0.023,609 0.014,610 0.013,611 0.009,612 0.005,613 0.384,614 0.5,615 0.88,616 0.454,617 137.613,618 -0.003,619 -0.057,620 0.034,621 0.012,622 0.017,623 0.033,624 -0.063,625 -0.004,626 -0.018,627 -0.012,628 0.023,629 -0.028,630 -0.05,631 -0.084,632 -0.034,633 -0.069,634 0.029,635 -0.081,636 -0.029,637 -0.084,638 -0.084,639 -0.108,640 -0.057,641 -0.096,642 0.039,643 0.044,644 0.123,645 0.095,646 0.004,647 0.117,648 -0.083,649 -0.013,650 -0.126,651 -0.061,652 -0.155,653 -0.081,654 -0.131,655 -0.057,656 -0.226,657 -0.125,658 -0.232,659 -0.173,660 0.056,661 -0.052,662 0.049,663 -0.008,664 0.017,665 0.015,666 1.372,667 5.585,668 0.778,669 27.901,670 0.988,671 1.121,672 4.324,673 18.696,674 0.671,675 3.434,676 3.738,677 3.989,678 4.19,679 4.382,680 4.369,681 4.443,682 4.533,683 4.489,684 4.522,685 7.571,686 0.619,687 382.97,688 3.434,689 4.963,690 5.802,691 6.658,692 7.509,693 8.366,694 9.221,695 10.078,696 10.935,697 11.793,698 3.7,701 1,703 1,715 7,720 5,722 12,727 1,734 1,740 1,741 54,743 13,744 2,745 30,747 57,748 23,749 12,750 5,751 7,752 1,756 4,757 5,758 1,767 3,768 1,770 5,772 13,773 10,774 1,777 1,782 1,786 1,793 27,794 3,795 1,796 4,797 1,802 2,808 0.75,809 1,828 1,829 3,832 1,855 1,859 3,865 1,868 27,876 9,877 1,880 1,881 1,892 1,893 1.9,896 1,901 13.167,902 9.426,903 5.917,904 3.572,907 2.063,908 1.276,909 0.995,910 5.92,911 9.532,912 3.638,913 4.159,914 4.654,915 5.101,916 5.563,917 5.598,918 5.75,919 5.802,920 5.71,921 5.844,922 1,923 39,924 10.061,926 4.295,927 0.026,929 7.516,931 20.023,933 17.185,936 2.016,937 54.444,940 1,941 306.049,942 108.377,943 21.135,944 39.149,945 25.145,948 108.377,949 370.342,950 21.135,952 21.095,953 66.334,954 48.289,955 18.938,957 306.049,958 39.149,959 306.049,960 129.512,961 25.145,962 39.149,964 235.422,965 95.772,968 24.22,969 87.281,970 57.159,972 306.049,973 46.28,974 147.525,977 306.049,978 42.043,979 69.458,980 18.011,981 64.294,982 306.049,983 46.28,984 147.525,986 0.58,987 0.338,988 0.173,989 0.092,990 20,991 8,992 0.105,993 6,994 1,995 1.095,996 4.111,997 220.815,998 0.095,999 21,1000 124.382,1005 18.677,1006 8.558,1007 4.602,1009 46.28,1010 14.225,1015 5.424,1017 18.011,1018 499.854,1019 37,1024 12.585,1028 0.295,1031 53.341,1032 60.548,1034 0.246,1035 0.57,1036 0.785,1037 0.897,1038 0.903,1039 0.903,1040 4.875,1041 1.414,1042 5.765,1043 3.806,1044 4.419,1045 4.844,1046 1.806,1047 6.524,1048 4.365,1049 6.034,1050 1.408,1051 7.292,1052 3.659,1053 3.892,1054 4.527,1055 0.325,1056 7.298,1057 3.793,1058 7.312,1059 1.056,1060 8.916,1061 2.968,1062 5.969,1063 6.909,1064 1.993,1065 10.35,1066 5.875,1067 8.622,1068 1,1069 10.595,1070 2.384,1071 6.275,1072 7.428,1073 0.393,1074 11.939,1075 6.144,1076 9.966,1077 0.606,1078 12.311,1079 2.275,1080 7.78,1081 9.287,1082 2.342,1083 14.468,1084 7.651,1085 11.332,1086 0.373,1087 14.05,1088 1.406,1089 8.471,1090 10.195,1091 0.384,1092 16.392,1093 8.314,1094 12.714,1095 0.18,1096 15.806,1097 0.914,1098 9.732,1099 11.825,1100 2.756,1101 18.728,1102 9.572,1103 2.989,1104 -0.298,1105 17.573,1106 0.421,1107 10.61,1108 12.932,1109 0.351,1110 20.804,1111 10.43,1112 2.854,1113 9.438,1114 19.349,1115 -0.665,1116 11.761,1117 14.446,1118 3.203,1119 23.064,1120 11.574,1121 2.643,1122 8.759,1123 21.133,1124 3.981,1125 12.732,1126 15.661,1127 0.312,1128 25.211,1129 12.531,1130 2.539,1131 8.17,1132 22.921,1133 3.779,1134 13.834,1135 17.111,1136 3.667,1137 27.442,1138 13.626,1139 2.14,1140 7.266,1141 24.713,1142 3.247,1143 14.852,1144 18.387,1145 0.273,1146 29.625,1147 14.635,1148 1.535,1149 6.275,1150 26.509,1151 2.644,1152 15.933,1153 19.802,1154 4.143,1155 31.847,1156 15.711,1157 1.505,1158 4.287,1159 28.308,1160 2.258,1161 16.976,1162 21.115,1163 0.236,1164 34.049,1165 16.747,1166 10039,1167 15246,1168 20.572,1169 36.222,1170 44.706,1171 46.08,1172 45.306,1173 44.653,1174 44.484,1175 54.442,1176 5.533,1177 124.054,1178 43.125,1179 5.342,1180 5.607,1181 5.945,1182 5.021,1183 4.989,1184 6.981,1185 2.555,1186 15.798,1187 4.985,1188 9.556,1189 1.49,1190 1.536,1191 1.51,1192 1.488,1193 1.483,1194 1.815,1195 0.184,1196 4.135,1197 1.438,1198 4.031,1199 4.066,1200 4.021,1201 3.952,1202 7.427,1203 3.952,1204 3.947,1205 3.987,1206 3.957,1207 3.877,1208 4.932,1209 3.869,1210 3.828,1211 3.871,1212 3.739,1213 3.727,1214 4.747,1215 3.716,1216 3.584,1217 3.633,1218 3.488,1219 3.422,1220 4.363,1221 3.428,1222 3.354,1223 3.427,1224 3.299,1225 3.199,1226 4.304,1227 3.189,1228 3.167,1229 3.233,1230 3.202,1231 3.017,1232 4.084,1233 3.007,1234 3.111,1235 3.206,1236 3.016,1237 2.941,1238 3.886,1239 2.91,1240 2.948,1241 3.014,1242 2.866,1243 2.811,1244 3.691,1245 2.797,1246 0.145,1247 0.12,1248 0.209,1249 0.133,1250 0.1,1251 4.342,1252 0.133,1253 3.607,1254 0.043,1255 6.257,1256 0.315,1257 3.986,1258 0.099,1259 2.989,1260 3.981,1261 1.277,1262 9.438,1263 2.985,1264 1.942,1265 1.912,1266 2.101,1267 2.069,1268 1.485,1269 2.083,1270 1.912,1271 1.889,1272 2.01,1273 1.993,1274 1.21,1275 2.001,1276 1.825,1277 1.78,1278 1.972,1279 1.928,1280 1.157,1281 1.949,1282 1.493,1283 1.437,1284 1.749,1285 1.698,1286 1.026,1287 1.719,1288 1.461,1289 1.385,1290 1.71,1291 1.679,1292 0.938,1293 1.693,1294 1.202,1295 1.143,1296 1.513,1297 1.407,1298 0.825,1299 1.429,1300 1.153,1301 1.064,1302 1.458,1303 1.376,1304 0.684,1305 1.424,1306 0.982,1307 0.922,1308 1.228,1309 1.19,1310 0.433,1311 1.21,1312 4.111,1314 5.416,1315 2.398,1316 6.911,1317 4.595,1318 8.487,1319 6.581,1320 10.102,1323 6.282,1328 9.144,1329 3.351,1332 0.66,1333 2.479,1340 33.434,1341 76.34,1342 177.241,1343 244.093,1344 278.764,1345 280.764,1346 280.764,1347 43.685,1348 7.469,1349 32.34,1350 32.34,1351 23,1352 12.345,1353 3.807,1354 3,1355 40.633,1356 125,1357 100,1358 0.156,1359 207.247,1360 362.74,1361 497.442,1362 20165,1363 1.9,1364 18.64,1365 0.69,1366 0.61,1367 19.14,1368 16.472,1369 13.187,1370 0.44,1371 0.347,1372 10.01,1373 12.654,1374 9.759,1375 8.023,1376 13.475,1377 10.424,1378 11.723,1379 0.286,1380 0.201,1381 12.094,1382 8.229,1383 10.057,1384 0.19,1385 0.12,1386 10.437,1387 6.344,1388 7.917,1389 0.122,1390 0.069,1391 8.171,1392 4.454,1393 6.339,1394 0.08,1395 0.041,1396 6.566,1397 3.21,1398 0.255,1399 83.939,1400 0.22,1401 26.696,1402 0.4,1403 142,1404 325.917,1405 163.425,1406 352.01,1407 473.57,1408 330,1409 165,1410 320.302,1411 183.2,1412 338.291,1413 493.21,1414 320,1415 7.119}
{0 CHEMBL306179,1 1.285,2 12.667,3 4.851,4 23.534,5 114.519,6 6.361,7 0.4,8 4.103,9 4.238,10 3.547,11 3.685,12 5.014,13 3.62,14 4.701,15 4.902,16 3.886,17 4.116,18 5.528,19 4.018,20 5.006,21 5.245,22 3.883,23 4.27,24 5.81,25 4.117,26 5.081,27 5.362,28 3.726,29 4.213,30 5.816,31 4.023,32 4.978,33 5.266,34 3.649,35 4.093,36 5.705,37 3.908,38 4.871,39 5.14,40 3.634,41 4.011,42 5.712,43 3.854,44 4.79,45 5.038,46 3.484,47 3.986,48 5.597,49 3.803,50 4.799,51 5.102,52 3.346,53 3.915,54 5.399,55 3.697,56 0.062,57 0.793,58 13.547,59 5.776,60 7.257,61 8.184,62 0.158,63 1.364,64 24.984,65 9.858,66 14.578,67 14.293,68 0.224,69 1.718,70 33.884,71 13.487,72 31.556,73 19.407,74 0.264,75 1.739,76 36.562,77 14.358,78 35.84,79 20.689,80 0.223,81 1.551,82 32.875,83 12.955,84 27.92,85 18.678,86 0.319,87 1.394,88 30.028,89 11.245,90 37.97,91 16.061,92 0.271,93 1.311,94 27.422,95 10.949,96 34.55,97 15.487,98 0.151,99 1.304,100 27.111,101 11.134,102 19.136,103 16.218,104 5,105 41,106 0.212,107 0.517,108 0.755,109 0.855,110 0.861,111 0.861,112 3.339,113 1.035,114 -5.29,115 -5.17,116 -4.84,121 42.1,122 1,123 5,124 1,127 4,144 7,145 4,146 1,159 1,176 16,180 5,185 3,187 18,192 6,197 2,200 14,206 6,211 1,214 9,219 6,227 12,235 1,237 1,239 14,243 1,244 1,249 1,251 14,256 2,261 1,264 8,269 3,274 2,277 5,281 1132,282 18.463,283 18.463,284 18.463,285 18.463,286 18.463,287 16.872,288 24.173,289 10.97,290 18.603,291 14.831,292 14.831,293 14.831,294 14.831,295 14.831,296 12.355,297 29.525,298 5.259,299 15.037,300 4.548,301 2.696,302 1.253,303 0.645,304 0.61,305 0.61,306 4.04,311 1,312 1,313 755,314 3.082,317 73.661,318 273.509,321 127.016,325 2.148,326 16.312,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 56,338 342,339 4.342,340 3.607,341 6.257,342 3.986,343 2.989,344 3.981,345 1.277,346 9.438,347 2.985,348 4.061,349 3.075,350 5.904,351 3.734,352 2.761,353 3.653,354 0.916,355 8.172,356 2.698,357 3.908,358 3.038,359 5.661,360 3.633,361 2.625,362 3.247,363 0.4,364 7.923,365 2.638,366 3.639,367 2.68,368 5.39,369 3.515,370 2.522,371 2.709,372 0.172,373 7.103,374 2.5,375 3.342,376 2.36,377 5.093,378 3.161,379 2.192,380 2.499,382 6.266,383 2.119,384 3.048,385 2.061,386 4.651,387 2.8,388 1.819,389 2.116,391 5.025,392 1.778,393 2.892,394 1.957,395 4.405,396 2.528,397 1.535,398 2.027,400 4.285,401 1.526,402 2.848,403 1.759,404 4.163,405 2.491,406 1.486,407 1.888,409 3.775,410 1.484,411 2.654,412 1.251,413 3.482,414 2.187,415 1.188,416 1.722,418 2.598,419 1.187,420 2.178,421 1.243,422 3.437,423 2.021,424 1.056,425 1.151,427 2.384,428 1.017,429 2,430 1.086,431 3.414,432 1.984,433 1,434 1,436 2.275,437 0.983,438 1.769,439 1.077,440 3.146,441 1.613,442 0.6,443 0.67,445 1.398,446 0.605,447 1.618,448 0.601,449 2.999,450 1.353,451 0.366,452 0.433,454 0.898,455 0.36,456 1.22,457 0.375,458 2.822,459 1.027,460 0.039,461 0.044,463 0.099,464 0.038,465 0.909,466 -0.083,467 2.391,468 0.602,469 -0.398,470 -0.493,472 -0.884,473 -0.398,474 13.133,475 0.486,476 0.588,477 0.022,478 30.5,479 1.13,480 14,481 0.519,482 16.5,483 0.611,484 25.852,485 0.957,486 29.467,487 0.517,488 19.206,489 0.711,490 5.529,491 0.205,492 7.641,493 0.283,494 0.063,496 0.297,501 0.745,502 1.253,503 0.945,504 1.103,505 0.557,506 1.045,507 0.97,508 1.103,509 1.025,510 1.032,511 0.574,512 1.023,513 1.033,514 1.143,515 1.123,516 1.148,517 0.92,518 1.141,519 1.068,520 1.01,521 1.028,522 1.031,523 1.147,524 1.03,525 0.928,526 0.977,527 0.912,528 0.98,529 1.071,530 0.953,531 1.55,532 0.864,533 1.014,534 0.895,535 1.884,536 0.917,537 1.371,538 1.077,539 1.229,540 1.138,541 1.789,542 1.18,543 0.442,544 0.988,545 0.909,546 1.012,547 0.393,548 0.998,549 5.5,550 0.098,551 2.667,552 1.257,553 1.173,554 0.677,555 0.453,556 0.251,557 0.207,558 0.128,559 10929,560 20844,561 2.142,562 52.6,563 6,564 15,567 1,568 2,569 6,572 1.692,573 2.051,574 3.63,575 -0.455,582 73.229,583 1.285,584 3.137,585 4.58,586 5.188,587 5.223,588 5.223,589 3.087,590 4.607,591 4.728,592 3.835,593 1346.09,594 8.157,595 18492.8,597 1,600 332.475,601 1.218,602 4.706,603 0.183,604 0.005,605 0.065,606 0.033,607 0.038,608 0.023,609 0.016,610 0.01,611 0.01,612 0.006,613 0.39,614 0.5,615 1,616 0.454,617 137.839,618 0.016,619 -0.055,620 0.062,621 0.014,622 0.011,623 0.035,624 -0.062,625 0.027,626 -0.021,627 0.004,628 0.027,629 -0.001,630 -0.071,631 -0.114,632 -0.136,633 -0.139,634 0.001,635 -0.141,636 -0.043,637 -0.06,638 -0.049,639 -0.056,640 -0.04,641 -0.054,642 0.045,643 -0.042,644 0.062,645 -0.009,646 -0.008,647 0.023,648 -0.011,649 0.097,650 0.004,651 0.066,652 -0.08,653 0.04,654 -0.087,655 -0.104,656 -0.232,657 -0.139,658 -0.196,659 -0.193,660 0.061,661 -0.062,662 0.029,663 -0.033,664 0.015,665 -0.009,666 1.355,667 5.594,668 0.778,669 28.436,670 0.981,671 1.123,672 4.056,673 16.451,674 0.651,675 3.434,676 3.738,677 3.97,678 4.19,679 4.369,680 4.382,681 4.443,682 4.522,683 4.489,684 4.543,685 7.647,686 0.599,687 362.56,688 3.434,689 4.963,690 5.796,691 6.653,692 7.497,693 8.355,694 9.204,695 10.062,696 10.913,697 11.772,698 3.5,701 1,703 1,715 7,720 5,722 12,727 1,734 1,741 57,743 13,744 2,745 30,747 60,748 24,749 12,750 5,751 7,752 1,756 4,757 5,763 1,767 3,768 1,770 5,772 13,773 11,774 1,777 1,782 1,786 1,793 30,794 3,795 1,796 3,802 2,808 0.75,809 1,828 1,829 3,832 1,855 1,859 3,864 1,868 27,876 9,877 1,880 1,881 1,893 1.8,896 1,901 13.167,902 10.283,903 5.889,904 3.779,907 2.033,908 1.272,909 0.992,910 5.707,911 9.502,912 3.638,913 4.159,914 4.64,915 5.106,916 5.56,917 5.622,918 5.747,919 5.805,920 5.703,921 5.846,922 1,923 38,924 10.077,926 4.272,927 0.026,929 7.438,931 20.236,933 17.346,936 1.938,937 52.333,939 1,940 1,941 341.362,942 116.887,943 21.135,945 25.145,948 116.887,949 366.507,950 21.135,951 8.825,952 21.095,953 66.334,954 48.289,955 18.623,957 341.362,959 341.362,960 138.022,961 25.145,964 270.735,965 95.772,968 33.045,969 86.966,970 18.011,972 341.362,973 46.28,974 116.887,977 341.362,978 41.728,979 78.283,980 18.011,981 25.145,982 341.362,983 46.28,984 116.887,986 0.58,987 0.33,988 0.172,989 0.091,990 20,991 8,992 0.1,993 6,994 1,995 1.095,996 4.127,997 219.898,998 0.095,999 21,1000 122.382,1005 18.404,1006 8.372,1007 4.663,1009 46.28,1010 14.981,1015 6.144,1017 18.011,1018 504.529,1019 37,1024 12.594,1028 0.312,1031 55.901,1032 64.019,1034 0.22,1035 0.538,1036 0.785,1037 0.889,1038 0.895,1039 0.895,1040 4.875,1041 1.486,1042 5.759,1043 4.285,1044 4.419,1045 4.844,1046 1.806,1047 6.506,1048 4.395,1049 6.034,1050 1.188,1051 7.276,1052 3.775,1053 3.892,1054 4.527,1055 0.325,1056 7.235,1057 3.871,1058 7.31,1059 1.056,1060 8.885,1061 2.598,1062 5.958,1063 6.9,1064 1.993,1065 10.28,1066 5.916,1067 8.614,1068 1,1069 10.547,1070 2.384,1071 6.236,1072 7.387,1073 0.393,1074 11.817,1075 6.2,1076 9.95,1077 0.6,1078 12.243,1079 2.275,1080 7.745,1081 9.252,1082 2.342,1083 14.342,1084 7.689,1085 11.307,1086 0.366,1087 13.963,1088 1.398,1089 8.404,1090 10.123,1091 0.384,1092 16.231,1093 8.356,1094 12.679,1095 0.039,1096 15.699,1097 0.898,1098 9.667,1099 11.761,1100 2.756,1101 18.562,1102 9.604,1103 2.989,1104 -0.398,1105 17.448,1106 0.099,1107 10.521,1108 12.837,1109 0.351,1110 20.619,1111 10.463,1112 2.761,1113 9.438,1114 19.207,1115 -0.884,1116 11.671,1117 14.357,1118 3.203,1119 22.875,1120 11.602,1121 2.625,1122 8.172,1123 20.975,1124 3.981,1125 12.625,1126 15.549,1127 0.312,1128 25.014,1129 12.559,1130 2.522,1131 7.923,1132 22.748,1133 3.653,1134 13.724,1135 17.003,1136 3.667,1137 27.244,1138 13.651,1139 2.192,1140 7.103,1141 24.528,1142 3.247,1143 14.731,1144 18.264,1145 0.273,1146 29.425,1147 14.659,1148 1.819,1149 6.266,1150 26.312,1151 2.709,1152 15.809,1153 19.681,1154 4.143,1155 31.649,1156 15.732,1157 1.535,1158 5.025,1159 28.101,1160 2.499,1161 16.844,1162 20.984,1163 0.236,1164 33.854,1165 16.768,1166 10124,1167 14075,1168 20.572,1169 37.126,1170 44.532,1171 45.696,1172 45.113,1173 44.348,1174 44.356,1175 54.28,1176 5.533,1177 123.276,1178 43.83,1179 5.342,1180 5.607,1181 5.813,1182 5.021,1183 4.989,1184 6.981,1185 2.555,1186 15.798,1187 4.985,1188 9.685,1189 1.484,1190 1.523,1191 1.504,1192 1.478,1193 1.479,1194 1.809,1195 0.184,1196 4.109,1197 1.461,1198 4.033,1199 4.069,1200 3.969,1201 3.953,1202 7.427,1203 3.953,1204 3.957,1205 3.997,1206 3.882,1207 3.886,1208 4.76,1209 3.88,1210 3.837,1211 3.886,1212 3.721,1213 3.73,1214 4.731,1215 3.72,1216 3.587,1217 3.637,1218 3.486,1219 3.424,1220 4.319,1221 3.43,1222 3.366,1223 3.438,1224 3.217,1225 3.213,1226 4.084,1227 3.204,1228 3.223,1229 3.297,1230 3.053,1231 3.083,1232 3.93,1233 3.065,1234 3.111,1235 3.206,1236 2.915,1237 2.941,1238 3.841,1239 2.918,1240 3.093,1241 3.17,1242 2.866,1243 2.933,1244 3.691,1245 2.91,1246 0.145,1247 0.12,1248 0.209,1249 0.133,1250 0.1,1251 4.342,1252 0.133,1253 3.607,1254 0.043,1255 6.257,1256 0.315,1257 3.986,1258 0.099,1259 2.989,1260 3.981,1261 1.277,1262 9.438,1263 2.985,1264 1.954,1265 1.921,1266 2.109,1267 2.075,1268 1.485,1269 2.09,1270 1.922,1271 1.901,1272 2.042,1273 2.003,1274 1.217,1275 2.015,1276 1.834,1277 1.785,1278 1.99,1279 1.951,1280 1.187,1281 1.968,1282 1.497,1283 1.441,1284 1.751,1285 1.698,1286 1.038,1287 1.719,1288 1.463,1289 1.386,1290 1.716,1291 1.685,1292 0.944,1293 1.7,1294 1.274,1295 1.21,1296 1.576,1297 1.471,1298 0.825,1299 1.508,1300 1.153,1301 1.064,1302 1.513,1303 1.376,1304 0.76,1305 1.429,1306 1.122,1307 1.052,1308 1.412,1309 1.341,1310 0.551,1311 1.369,1312 4.111,1314 5.416,1315 2.398,1316 6.905,1317 4.595,1318 8.473,1319 6.581,1320 10.082,1322 2.157,1328 9.538,1329 3.358,1332 0.693,1333 2.556,1340 34.133,1341 73.229,1342 178.8,1343 261.049,1344 295.72,1345 297.72,1346 297.72,1347 41.749,1348 7.469,1349 32.34,1350 32.34,1351 23,1352 12.325,1353 3.807,1354 3,1355 40.644,1356 126,1357 102,1358 0.154,1359 208.506,1360 364.83,1361 500.515,1362 20165,1364 18.64,1365 0.69,1366 0.605,1367 18.64,1368 16.338,1369 13.17,1370 0.439,1371 0.345,1372 10.285,1373 12.929,1374 9.993,1375 8.274,1376 13.17,1377 10.351,1378 11.839,1379 0.289,1380 0.2,1381 11.839,1382 8.219,1383 9.843,1384 0.189,1385 0.118,1386 9.843,1387 6.112,1388 7.991,1389 0.123,1390 0.069,1391 7.991,1392 4.46,1393 6.228,1394 0.08,1395 0.04,1396 6.228,1397 3.114,1398 0.253,1399 80.663,1400 0.22,1401 26.744,1402 0.395,1403 142,1404 299.714,1405 147.906,1406 298.992,1407 414.21,1408 282,1409 164,1410 302.439,1411 170.49,1412 312.799,1413 453.26,1414 295,1415 7.301}
{0 CHEMBL306492,1 1.215,2 16.1,3 9.889,4 97.788,5 169.609,6 6.219,7 0.489,8 4.51,9 4.65,10 3.936,11 4.098,12 5.371,13 4.026,14 5.115,15 5.317,16 4.266,17 4.531,18 5.895,19 4.417,20 5.475,21 5.741,22 4.441,23 4.732,24 6.186,25 4.598,26 5.511,27 5.776,28 4.363,29 4.723,30 6.233,31 4.57,32 5.488,33 5.756,34 4.3,35 4.713,36 6.18,37 4.554,38 5.511,39 5.777,40 4.181,41 4.735,42 6.159,43 4.539,44 5.566,45 5.865,46 4.025,47 4.691,48 6.139,49 4.454,50 5.474,51 5.799,52 3.801,53 4.514,54 5.995,55 4.257,56 0.104,57 1.222,58 20.868,59 8.738,60 12.105,61 12.622,62 0.205,63 2.093,64 37.988,65 15.372,66 22.964,67 22.49,68 0.341,69 2.819,70 54.171,71 20.64,72 37.191,73 30.816,74 0.461,75 2.938,76 56.641,77 20.512,78 43.089,79 30.984,80 0.402,81 2.836,82 55.1,83 20.352,84 38.531,85 30.605,86 0.332,87 2.831,88 55.652,89 22.587,90 34.58,91 33.033,92 0.307,93 2.829,94 57.98,95 24.289,96 34.866,97 35.284,98 0.296,99 2.496,100 52.666,101 21.578,102 31.603,103 31.583,105 60,106 0.182,107 0.435,108 0.57,109 0.696,110 0.751,111 0.751,112 3.717,113 1.078,114 -6.56,115 -6.38,116 -5.92,121 41.9,123 16,127 2,144 8,145 4,146 2,148 4,176 23,180 8,185 6,187 24,192 8,197 6,200 21,206 6,209 2,211 10,214 18,224 8,227 27,232 2,237 2,239 32,244 2,249 2,251 30,256 2,264 22,269 2,273 1,277 22,281 3072,282 28.346,283 28.346,284 28.346,285 28.346,286 28.346,287 25.771,288 23.565,289 17.646,290 28.569,291 22.356,292 22.356,293 22.356,294 22.356,295 22.356,296 18.308,297 24.816,298 8.489,299 22.739,300 5.212,301 3.525,302 2.623,303 1.779,304 1.419,305 1.419,306 4.444,313 1450,314 3.873,318 379.137,319 218.57,322 322.269,323 355.618,325 2.18,326 16.373,329 0.5,330 0.33,331 0.5,332 0.8,333 0.5,334 0.5,335 0.5,336 0.52,337 82,338 644,339 4.639,340 3.357,341 6.829,342 4.204,343 3.224,344 4.563,345 0.4,346 11.347,347 3.159,348 4.639,349 3.357,350 6.829,351 4.204,352 3.224,353 4.563,354 0.4,355 11.347,356 3.159,357 3.909,358 2.661,359 5.981,360 3.517,361 2.524,362 3.434,364 8.363,365 2.504,366 3.909,367 2.661,368 5.981,369 3.517,370 2.524,371 3.434,373 8.363,374 2.504,375 3.524,376 2.364,377 5.382,378 3.144,379 2.189,380 2.894,382 6.714,383 2.089,384 3.524,385 2.363,386 5.382,387 3.139,388 2.185,389 2.894,391 6.714,392 2.083,393 2.946,394 1.941,395 4.143,396 2.891,397 1.896,398 2.142,400 3.87,401 1.886,402 2.94,403 1.824,404 4.142,405 2.648,406 1.666,407 2.141,409 3.6,410 1.635,411 2.909,412 1.704,413 4.005,414 2.626,415 1.633,416 1.92,418 3.489,419 1.62,420 2.712,421 1.629,422 3.969,423 2.613,424 1.618,425 1.739,427 3.455,428 1.608,429 2.653,430 1.58,431 3.844,432 2.422,433 1.43,434 1.678,436 3.43,437 1.419,438 2.635,439 1.519,440 3.723,441 2.411,442 1.414,443 1.64,445 3.325,446 1.409,447 2.615,448 1.422,449 3.689,450 2.35,451 1.361,452 1.634,454 3.091,455 1.346,456 2.597,457 1.417,458 3.631,459 2.341,460 1.347,461 1.615,463 3.023,464 1.338,465 2.385,466 1.385,467 3.589,468 2.276,469 1.299,470 1.382,472 2.849,473 1.266,474 19.6,475 0.49,476 0.548,477 0.014,478 45.5,479 1.138,480 21,481 0.525,482 24.5,483 0.613,484 46.797,485 1.17,486 43.4,487 0.505,488 29.896,489 0.747,490 7.34,491 0.183,492 12.542,493 0.314,496 0.255,501 0.999,502 1.225,503 0.986,504 1.092,505 0.821,506 1.048,507 1.008,508 1.268,509 1.054,510 1.16,511 0.845,512 1.119,513 1.076,514 1.029,515 0.854,516 0.893,517 0.894,518 0.866,519 1.469,520 1.089,521 1.09,522 1.021,523 1.237,524 1.031,525 1.584,526 0.97,527 1.113,528 0.963,529 1.378,530 1.001,531 1.119,532 1.071,533 1.206,534 1.16,535 1.166,536 1.183,537 0.705,538 1.013,539 1.055,540 1.099,541 0.922,542 1.098,543 0.693,544 0.9,545 0.94,546 0.967,547 0.815,548 0.968,549 3.5,550 0.106,551 3.333,552 2.5,553 2.116,554 0.889,555 0.449,556 0.253,557 0.169,558 0.132,559 34115,560 58993,561 2.213,562 53.5,563 24,564 12,567 2,568 4,569 4,572 1.791,573 2.182,574 3.826,582 104.458,583 1.215,584 2.901,585 3.804,586 4.647,587 5.008,588 5.008,589 3.004,590 4.222,591 5.306,592 4.145,593 3232.81,594 9.301,595 63397.9,600 552.659,601 0.811,602 5.297,603 0.078,604 0.004,605 0.056,606 0.035,607 0.034,608 0.015,609 0.009,610 0.006,611 0.005,612 0.004,613 0.246,614 0.33,615 0.5,617 232.805,618 0.031,619 -0.018,620 0.068,621 0.035,622 0.159,623 0.05,624 0.026,625 -0.157,626 -0.029,627 -0.097,628 0.13,629 -0.072,630 0.095,631 0.002,632 0.156,633 0.097,634 0.183,635 0.124,636 -0.007,637 -0.028,638 -0.062,639 -0.057,640 -0.001,641 -0.062,642 -0.208,643 0.08,644 -0.092,645 0.007,646 -0.215,647 -0.028,648 -0.193,649 -0.064,650 -0.217,651 -0.152,652 -0.251,653 -0.18,654 -0.039,655 -0.086,656 -0.098,657 -0.103,658 -0.119,659 -0.104,660 0.013,661 -0.009,662 0.009,664 -0.033,665 0.003,666 0.518,667 2.041,668 0.75,669 43.44,670 0.976,671 1.125,672 5.327,673 28.382,674 0.651,675 3.829,676 4.111,677 4.431,678 4.745,679 5.037,680 5.176,681 5.257,682 5.361,683 5.429,684 5.38,685 10.328,686 0.595,687 534.86,688 3.829,689 5.352,690 6.209,691 7.083,692 7.963,693 8.852,694 9.744,695 10.64,696 11.537,697 12.437,698 4.7,703 2,708 2,714 4,715 8,716 2,720 6,722 22,734 2,741 86,743 22,744 2,745 45,747 91,748 36,749 18,750 4,751 8,756 6,757 12,767 10,770 16,772 18,773 18,793 46,794 4,795 2,796 4,802 4,808 0.333,822 2,829 4,830 2,833 2,834 2,859 2,868 40,876 18,877 2,901 18.333,902 15.067,903 8.972,904 6.325,907 4.666,908 1.514,909 1.017,910 9.377,911 13.738,912 4.043,913 4.625,914 5.273,915 5.917,916 6.54,917 6.891,918 7.259,919 7.603,920 7.901,921 7.776,922 0.9,923 71,924 14.922,926 6.297,927 0.026,929 7.267,931 30.519,933 26.322,936 1.767,937 70.667,941 517.928,942 147.406,943 69.593,948 147.406,949 517.928,950 69.593,952 44.764,953 75.81,954 69.593,955 26.832,957 517.928,959 517.928,960 216.999,964 470.844,965 47.084,968 54.566,969 92.841,970 69.593,972 517.928,973 69.593,974 147.406,977 517.928,978 71.596,979 75.81,980 36.022,981 33.571,982 517.928,983 69.593,984 147.406,986 0.559,987 0.332,988 0.199,989 0.118,990 28,991 10,992 0.121,993 11,994 4,995 1.267,996 5.231,997 391.313,998 0.267,999 30,1000 168.877,1005 27.369,1006 13.705,1007 6.586,1008 4.897,1009 69.593,1010 17.382,1011 10.082,1015 8.39,1017 36.022,1018 734.927,1019 56,1031 83.963,1032 96.712,1034 0.189,1035 0.451,1036 0.592,1037 0.723,1038 0.779,1039 0.779,1040 5.265,1041 1.666,1042 6.146,1043 3.87,1044 4.796,1045 5.313,1046 0.495,1047 6.952,1048 4.759,1049 6.43,1050 1.633,1051 7.684,1052 3.6,1053 4.111,1054 5.094,1056 7.861,1057 4.05,1058 7.726,1059 1.618,1060 9.337,1061 3.489,1062 6.351,1063 7.566,1064 0.097,1065 11.053,1066 6.276,1067 9.071,1068 1.43,1069 11.067,1070 3.455,1071 6.635,1072 8.307,1074 12.888,1075 6.534,1076 10.461,1077 1.414,1078 12.848,1079 3.43,1080 8.228,1081 10.199,1082 0.016,1083 15.567,1084 8.114,1085 11.884,1086 1.361,1087 14.663,1088 3.325,1089 8.995,1090 11.368,1092 17.753,1093 8.856,1094 13.331,1095 1.347,1096 16.502,1097 3.091,1098 10.321,1099 13.035,1100 0.003,1101 20.268,1102 10.166,1103 3.224,1104 1.299,1105 18.357,1106 3.023,1107 11.315,1108 14.396,1110 22.594,1111 11.137,1112 3.224,1113 11.347,1114 20.224,1115 2.849,1116 12.537,1117 15.972,1119 25.053,1120 12.341,1121 2.524,1122 11.347,1123 22.1,1124 4.563,1125 13.63,1126 17.42,1128 27.436,1129 13.412,1130 2.524,1131 8.363,1132 23.984,1133 4.563,1134 14.814,1135 18.96,1137 29.875,1138 14.577,1139 2.189,1140 8.363,1141 25.873,1142 3.434,1143 15.951,1144 20.445,1146 32.284,1147 15.691,1148 2.185,1149 6.714,1150 27.766,1151 3.434,1152 17.122,1153 21.971,1155 34.716,1156 16.843,1157 1.896,1158 6.714,1159 29.664,1160 2.894,1161 18.277,1162 23.475,1164 37.135,1165 17.976,1166 30752,1167 40612,1168 31.781,1169 56.012,1170 64.942,1171 65.359,1172 66.392,1173 64.999,1174 65.015,1175 82.048,1176 1.6,1177 179.603,1178 63.845,1179 5.609,1180 5.357,1181 6.752,1182 5.248,1183 5.224,1184 7.563,1185 0.8,1186 18.879,1187 5.159,1189 1.443,1190 1.452,1191 1.475,1192 1.444,1193 1.445,1194 1.823,1195 0.036,1196 3.991,1197 1.419,1198 4.134,1199 4.167,1200 4.091,1201 4.06,1202 4.989,1203 4.063,1204 4.084,1205 4.113,1206 4.048,1207 4.014,1208 4.953,1209 4.019,1210 3.782,1211 3.847,1212 3.636,1213 3.672,1214 4.411,1215 3.656,1216 3.748,1217 3.801,1218 3.623,1219 3.658,1220 4.406,1221 3.643,1222 3.746,1223 3.797,1224 3.608,1225 3.649,1226 4.28,1227 3.63,1228 3.606,1229 3.683,1230 3.445,1231 3.449,1232 4.232,1233 3.436,1234 3.425,1235 3.499,1236 3.29,1237 3.283,1238 4.059,1239 3.276,1240 3.337,1241 3.396,1242 3.205,1243 3.229,1244 4.032,1245 3.216,1246 0.103,1247 0.075,1248 0.152,1249 0.093,1250 0.072,1251 4.639,1252 0.101,1253 3.357,1254 0.009,1255 6.829,1256 0.252,1257 4.204,1258 0.07,1259 3.224,1260 4.563,1261 0.4,1262 11.347,1263 3.159,1264 2.053,1265 2.029,1266 2.127,1267 2.14,1268 1.41,1269 2.138,1270 2.052,1271 2.029,1272 2.124,1273 2.139,1274 1.337,1275 2.136,1276 1.793,1277 1.731,1278 2.037,1279 1.952,1280 1.329,1281 1.985,1282 1.706,1283 1.643,1284 1.964,1285 1.867,1286 1.312,1287 1.904,1288 1.704,1289 1.641,1290 1.964,1291 1.865,1292 1.305,1293 1.903,1294 1.635,1295 1.587,1296 1.875,1297 1.805,1298 1.193,1299 1.833,1300 1.614,1301 1.573,1302 1.798,1303 1.73,1304 1.022,1305 1.755,1306 1.578,1307 1.515,1308 1.792,1309 1.717,1310 1.021,1311 1.745,1312 4.511,1314 5.802,1316 7.298,1317 3.367,1318 8.91,1319 5.784,1320 10.593,1328 22.192,1329 7.723,1340 51.148,1341 104.458,1342 249.522,1343 327.11,1344 399.639,1345 430.659,1346 430.659,1347 58.395,1348 9.072,1349 49.84,1350 49.84,1351 38,1352 12.96,1353 4.524,1354 3.585,1355 57.959,1356 264,1357 149,1358 0.104,1359 309.638,1360 531.2,1361 747.276,1362 179996,1364 26.987,1365 0.675,1366 0.606,1367 26.987,1368 24.241,1369 19.882,1370 0.442,1371 0.359,1372 16.1,1373 19.624,1374 15.794,1375 13.108,1376 19.882,1377 16.17,1378 16.746,1379 0.279,1380 0.199,1381 16.746,1382 11.955,1383 14.607,1384 0.176,1385 0.109,1386 14.607,1387 9.046,1388 12.814,1389 0.112,1390 0.06,1391 12.814,1392 6.886,1393 11.149,1394 0.073,1395 0.034,1396 11.149,1397 5.246,1398 0.174,1399 121.018,1400 0.177,1401 36.97,1402 0.26,1403 210,1404 397.956,1405 217.549,1406 403.501,1407 588.08,1408 386,1409 248,1410 459.014,1411 256.659,1412 469.596,1413 697.54,1414 450,1415 8.796}
{0 CHEMBL306776,1 1.354,2 12.75,3 4.349,4 18.91,5 115.941,6 6.527,7 0.387,8 4.13,9 4.258,10 3.594,11 3.683,12 5.076,13 3.632,14 4.724,15 4.918,16 3.922,17 4.105,18 5.581,19 4.021,20 5.009,21 5.242,22 3.955,23 4.261,24 5.839,25 4.131,26 5.086,27 5.343,28 3.824,29 4.231,30 5.881,31 4.066,32 5.042,33 5.325,34 3.749,35 4.147,36 5.787,37 3.975,38 4.948,39 5.206,40 3.721,41 4.063,42 5.813,43 3.919,44 4.869,45 5.117,46 3.54,47 4.022,48 5.683,49 3.845,50 4.841,51 5.144,52 3.396,53 3.936,54 5.448,55 3.724,56 0.054,57 0.806,58 13.664,59 5.83,60 7.723,61 8.074,62 0.198,63 1.363,64 25.582,65 9.77,66 17.326,67 13.894,68 0.244,69 1.698,70 34.144,71 13.233,72 31.957,73 18.874,74 0.372,75 1.731,76 37.332,77 14.135,78 41.255,79 20.149,80 0.265,81 1.632,82 35.56,83 13.53,84 30.833,85 19.55,86 0.401,87 1.47,88 32.967,89 11.842,90 43.603,91 16.742,92 0.35,93 1.376,94 30.104,95 11.504,96 41.026,97 16.163,98 0.182,99 1.333,100 28.763,101 11.404,102 21.571,103 16.679,104 6,105 42,106 0.222,107 0.535,108 0.76,109 0.858,110 0.864,111 0.864,112 3.374,113 1.013,114 -4.75,115 -4.66,116 -4.38,121 41.4,123 5,124 1,126 1,127 4,144 7,145 3,146 2,159 1,176 13,180 7,185 3,187 14,192 7,197 2,200 11,205 1,206 7,211 1,214 8,219 5,227 10,232 2,235 1,237 1,239 13,243 1,244 2,249 1,251 11,256 3,261 1,264 6,269 4,274 2,277 4,281 1240,282 19.386,283 19.386,284 19.386,285 19.386,286 19.386,287 17.819,288 24.576,289 11.513,290 19.697,291 15.247,292 15.247,293 15.247,294 15.247,295 15.247,296 12.755,297 29.511,298 5.388,299 15.632,300 4.504,301 2.602,302 1.231,303 0.634,304 0.599,305 0.599,306 4.075,311 1,312 1,313 784,314 3.24,317 76.648,318 283.21,321 132.107,325 2.143,326 18.749,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 59,338 357,339 4.342,340 3.607,341 6.257,342 3.986,343 2.989,344 3.981,345 1.277,346 9.438,347 2.985,348 4.207,349 3.194,350 6.16,351 3.849,352 2.885,353 3.805,354 0.916,355 9.125,356 2.78,357 3.908,358 3.074,359 5.904,360 3.647,361 2.649,362 3.247,363 0.86,364 8.17,365 2.646,366 3.625,367 2.804,368 5.474,369 3.531,370 2.547,371 2.646,372 0.4,373 7.316,374 2.504,375 3.207,376 2.337,377 5.127,378 3.1,379 2.153,380 2.261,381 0.172,382 6.343,383 2.026,384 2.917,385 1.961,386 4.406,387 2.534,388 1.547,389 2.086,391 4.288,392 1.533,393 2.899,394 1.915,395 4.311,396 2.511,397 1.534,398 2.031,400 4.022,401 1.498,402 2.868,403 1.759,404 4.161,405 2.471,406 1.49,407 1.951,409 3.763,410 1.441,411 2.786,412 1.506,413 3.621,414 2.406,415 1.41,416 1.843,418 3.022,419 1.401,420 2.178,421 1.251,422 3.437,423 2.021,424 1.056,425 1.151,427 2.384,428 1.017,429 2,430 1.087,431 3.414,432 1.984,433 1,434 1,436 2.275,437 0.983,438 1.801,439 1.077,440 3.145,441 1.622,442 0.618,443 0.701,445 1.413,446 0.615,447 1.695,448 0.94,449 3.002,450 1.432,451 0.519,452 0.592,454 0.975,455 0.468,456 1.613,457 0.601,458 2.862,459 1.343,460 0.36,461 0.426,463 0.806,464 0.353,465 1.181,466 0.428,467 2.617,468 0.993,469 0.034,470 0.037,472 0.071,473 0.032,474 13.467,475 0.481,476 0.533,477 0.019,478 32,479 1.143,480 14.5,481 0.518,482 17.5,483 0.625,484 26.407,485 0.943,486 30.933,487 0.533,488 21.201,489 0.757,490 5.989,491 0.214,492 7.736,493 0.276,494 0.062,496 0.29,501 0.779,502 1.304,503 0.909,504 1.15,505 0.561,506 1.055,507 1.118,508 1.084,509 1.031,510 1.007,511 0.662,512 1,513 0.944,514 1.121,515 1.052,516 1.116,517 0.88,518 1.095,519 1.068,520 1.052,521 1.087,522 1.076,523 1.185,524 1.087,525 0.805,526 0.977,527 0.896,528 0.984,529 1,530 0.955,531 1.451,532 0.895,533 1.068,534 0.93,535 1.796,536 0.959,537 1.297,538 1.039,539 1.227,540 1.101,541 1.693,542 1.159,543 0.443,544 0.971,545 0.875,546 0.997,547 0.395,548 0.984,549 5,550 0.114,551 3.111,552 1.132,553 1.373,554 0.739,555 0.392,556 0.31,557 0.207,558 0.108,559 11832,560 24767,561 2.137,562 51.7,563 3,564 18,567 1,568 2,569 6,572 1.702,573 2.049,574 3.631,575 -0.429,577 1,582 78.517,583 1.354,584 3.256,585 4.626,586 5.224,587 5.259,588 5.259,589 3.071,590 4.379,591 4.782,592 3.848,593 1454.46,594 8.268,595 20520.1,597 1,599 1,600 339.763,601 1.198,602 4.76,603 0.161,604 0.006,605 0.074,606 0.028,607 0.04,608 0.023,609 0.013,610 0.012,611 0.009,612 0.005,613 0.372,614 0.33,615 1,616 0.615,617 144.48,618 0.011,619 -0.094,620 0.066,621 -0.021,622 0.029,623 0.02,624 -0.108,625 0.047,626 -0.034,627 0.028,628 -0.002,629 0.011,630 -0.046,631 -0.086,632 -0.076,633 -0.103,634 0.03,635 -0.092,636 -0.029,637 -0.083,638 -0.102,639 -0.091,640 -0.062,641 -0.104,642 0.03,643 -0.037,644 0.07,645 -0.01,646 -0.008,647 0.029,648 -0.076,649 0.064,650 -0.05,651 0.032,652 -0.119,653 -0.001,654 -0.12,655 -0.077,656 -0.234,657 -0.108,658 -0.215,659 -0.177,660 0.06,661 -0.05,662 0.056,663 -0.017,664 0.026,665 0.014,666 1.369,667 5.619,668 0.75,669 29.52,670 0.987,671 1.125,672 3.516,673 12.363,674 0.648,675 3.466,676 3.761,677 4.025,678 4.234,679 4.419,680 4.419,681 4.489,682 4.564,683 4.543,684 4.585,685 7.759,686 0.601,687 378.56,688 3.466,689 4.99,690 5.832,691 6.688,692 7.542,693 8.4,694 9.257,695 10.115,696 10.973,697 11.833,698 3.4,701 1,703 1,715 7,720 5,722 12,727 1,734 1,739 1,741 58,743 13,744 2,745 31,747 61,748 24,749 12,750 5,751 7,752 1,756 4,757 5,767 3,768 1,770 5,772 13,773 11,774 1,777 1,782 1,786 1,790 1,793 30,794 4,795 1,796 4,802 2,808 0.75,809 2,828 1,829 3,832 1,855 1,859 3,864 1,868 28,876 9,877 1,878 1,880 1,881 1,893 3.4,896 1,898 1,901 13.667,902 10.45,903 6.25,904 3.744,907 2.115,908 1.28,909 0.982,910 6.211,911 9.673,912 3.664,913 4.174,914 4.682,915 5.137,916 5.594,917 5.646,918 5.806,919 5.834,920 5.754,921 5.903,922 1,923 41,924 10.432,926 4.401,927 0.026,929 7.494,931 20.771,933 17.595,936 1.994,937 55.833,939 1,940 1,941 341.362,942 121.003,943 21.135,945 36.145,948 121.003,949 377.507,950 21.135,951 10.883,952 21.095,953 66.334,954 48.289,955 31.681,957 341.362,959 341.362,960 142.138,961 36.145,964 270.735,965 106.771,968 24.22,969 99.907,970 18.011,972 341.362,973 57.28,974 121.003,977 341.362,978 43.786,979 80.341,980 18.011,981 36.145,982 341.362,983 57.28,984 121.003,986 0.573,987 0.341,988 0.179,989 0.094,990 20,991 8,992 0.115,993 7,994 1,995 1.095,996 4.184,997 231.869,998 0.095,999 21,1000 130.606,1005 19.322,1006 9,1007 4.716,1009 57.28,1010 14.404,1015 5.593,1017 18.011,1018 519.644,1019 38,1024 12.619,1028 0.297,1031 57.229,1032 65.228,1034 0.231,1035 0.556,1036 0.79,1037 0.892,1038 0.898,1039 0.898,1040 4.898,1041 1.49,1042 5.79,1043 4.022,1044 4.443,1045 4.86,1046 2.024,1047 6.553,1048 4.401,1049 6.051,1050 1.41,1051 7.318,1052 3.763,1053 3.892,1054 4.527,1055 0.325,1056 7.345,1057 3.845,1058 7.328,1059 1.056,1060 8.943,1061 3.022,1062 5.994,1063 6.923,1064 2.132,1065 10.398,1066 5.921,1067 8.638,1068 1,1069 10.625,1070 2.384,1071 6.293,1072 7.442,1073 0.393,1074 12.013,1075 6.216,1076 9.983,1077 0.618,1078 12.344,1079 2.275,1080 7.808,1081 9.302,1082 2.417,1083 14.542,1084 7.712,1085 11.35,1086 0.519,1087 14.087,1088 1.413,1089 8.5,1090 10.215,1091 0.384,1092 16.49,1093 8.398,1094 12.734,1095 0.36,1096 15.847,1097 0.975,1098 9.765,1099 11.844,1100 2.793,1101 18.83,1102 9.648,1103 2.989,1104 0.034,1105 17.619,1106 0.806,1107 10.647,1108 12.956,1109 0.351,1110 20.924,1111 10.523,1112 2.885,1113 9.438,1114 19.401,1115 0.071,1116 11.8,1117 14.469,1118 3.22,1119 23.191,1120 11.664,1121 2.649,1122 9.125,1123 21.189,1124 3.981,1125 12.775,1126 15.688,1127 0.312,1128 25.352,1129 12.632,1130 2.547,1131 8.17,1132 22.982,1133 3.805,1134 13.879,1135 17.138,1136 3.676,1137 27.591,1138 13.726,1139 2.153,1140 7.316,1141 24.779,1142 3.247,1143 14.901,1144 18.418,1145 0.273,1146 29.785,1147 14.741,1148 1.547,1149 6.343,1150 26.58,1151 2.646,1152 15.984,1153 19.832,1154 4.146,1155 32.014,1156 15.816,1157 1.534,1158 4.288,1159 28.384,1160 2.261,1161 17.031,1162 21.148,1163 0.236,1164 34.224,1165 16.856,1166 11015,1167 16022,1168 21.266,1169 37.58,1170 45.768,1171 47.188,1172 46.69,1173 45.538,1174 45.579,1175 55.519,1176 7.253,1177 126.823,1178 44.564,1179 5.342,1180 5.607,1181 5.952,1182 5.021,1183 4.989,1184 6.981,1185 2.555,1186 15.798,1187 4.985,1188 9.925,1189 1.476,1190 1.522,1191 1.506,1192 1.469,1193 1.47,1194 1.791,1195 0.234,1196 4.091,1197 1.438,1198 4.032,1199 4.067,1200 3.969,1201 3.951,1202 7.427,1203 3.952,1204 3.951,1205 3.99,1206 3.882,1207 3.864,1208 4.863,1209 3.864,1210 3.831,1211 3.874,1212 3.718,1213 3.724,1214 4.746,1215 3.715,1216 3.584,1217 3.634,1218 3.484,1219 3.421,1220 4.395,1221 3.428,1222 3.354,1223 3.427,1224 3.204,1225 3.199,1226 4.314,1227 3.19,1228 3.249,1229 3.315,1230 3.064,1231 3.019,1232 4.084,1233 3.012,1234 3.166,1235 3.232,1236 3.014,1237 2.961,1238 3.887,1239 2.968,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.691,1245 2.91,1246 0.14,1247 0.116,1248 0.202,1249 0.129,1250 0.096,1251 4.342,1252 0.128,1253 3.607,1254 0.041,1255 6.257,1256 0.304,1257 3.986,1258 0.096,1259 2.989,1260 3.981,1261 1.277,1262 9.438,1263 2.985,1264 1.942,1265 1.912,1266 2.102,1267 2.073,1268 1.485,1269 2.085,1270 1.912,1271 1.889,1272 2.016,1273 1.999,1274 1.211,1275 2.004,1276 1.826,1277 1.78,1278 1.979,1279 1.942,1280 1.159,1281 1.956,1282 1.493,1283 1.437,1284 1.749,1285 1.698,1286 1.027,1287 1.719,1288 1.461,1289 1.385,1290 1.71,1291 1.681,1292 0.938,1293 1.694,1294 1.206,1295 1.146,1296 1.573,1297 1.513,1298 0.825,1299 1.533,1300 1.192,1301 1.119,1302 1.513,1303 1.407,1304 0.686,1305 1.429,1306 1.153,1307 1.064,1308 1.457,1309 1.376,1310 0.574,1311 1.424,1312 4.143,1314 5.442,1315 2.398,1316 6.936,1317 4.595,1318 8.514,1319 6.581,1320 10.132,1322 1.736,1328 9.191,1329 3.355,1330 5.475,1332 0.661,1333 2.504,1340 34.848,1341 78.517,1342 188.843,1343 268.337,1344 303.008,1345 305.008,1346 305.008,1347 44.786,1348 7.559,1349 41.57,1350 41.57,1351 23,1352 12.384,1353 3.807,1354 3,1355 42.857,1356 133,1357 102,1358 0.155,1359 212.502,1360 373.62,1361 510.266,1362 22716,1364 19.347,1365 0.691,1366 0.598,1367 19.347,1368 16.746,1369 13.725,1370 0.443,1371 0.338,1372 10.362,1373 13.331,1374 10.101,1375 8.349,1376 13.725,1377 10.47,1378 11.914,1379 0.284,1380 0.191,1381 11.914,1382 8.042,1383 10.359,1384 0.188,1385 0.113,1386 10.359,1387 6.21,1388 8.306,1389 0.122,1390 0.066,1391 8.306,1392 4.466,1393 6.564,1394 0.08,1395 0.039,1396 6.564,1397 3.159,1398 0.253,1399 85.107,1400 0.217,1401 27.504,1402 0.397,1403 146,1404 347.449,1405 154.785,1406 336.194,1407 462.55,1408 318,1409 170,1410 333.985,1411 179.48,1412 342.243,1413 497.24,1414 322,1415 6.09}
{0 CHEMBL307004,1 1.385,2 16.308,3 9.849,4 97.003,5 165.416,6 7.294,7 0.5,8 4.418,9 4.546,10 3.979,11 4.037,12 5.33,13 3.973,14 5.016,15 5.203,16 4.366,17 4.48,18 5.876,19 4.379,20 5.348,21 5.598,22 4.468,23 4.635,24 6.144,25 4.505,26 5.333,27 5.581,28 4.427,29 4.598,30 6.154,31 4.468,32 5.328,33 5.573,34 4.339,35 4.622,36 6.077,37 4.471,38 5.4,39 5.657,40 4.317,41 4.649,42 6.106,43 4.459,44 5.431,45 5.717,46 4.183,47 4.592,48 6.081,49 4.362,50 5.299,51 5.591,52 3.989,53 4.428,54 5.961,55 4.188,56 0.07,57 1.079,58 16.821,59 7.439,60 8.13,61 10.468,62 0.16,63 1.86,64 33.456,65 13.653,66 21.233,67 19.32,68 0.353,69 2.439,70 53.602,71 18.715,72 39.337,73 26.658,74 0.52,75 2.455,76 51.545,77 17.353,78 48.013,79 25.135,80 0.357,81 2.429,82 48.413,83 17.987,84 33.679,85 25.869,86 0.39,87 2.469,88 54.502,89 20.841,90 36.729,91 29.629,92 0.386,93 2.385,94 63.451,95 22.555,96 39.142,97 31.493,98 0.454,99 2.02,100 61.789,101 19.913,102 42.606,103 27.464,104 5,105 61,106 0.212,107 0.488,108 0.622,109 0.725,110 0.752,111 0.752,112 3.692,113 1.065,114 -6.91,115 -6.72,116 -6.22,121 42.9,123 13,127 2,144 6,145 4,146 4,148 4,176 16,180 8,185 6,187 23,192 6,197 6,200 14,206 6,209 2,211 10,214 19,224 4,227 20,232 2,237 4,239 28,244 2,251 24,256 2,260 1,264 22,269 2,277 16,281 2862,282 27.12,283 27.12,284 27.12,285 27.12,286 27.12,287 24.495,288 26.767,289 16.419,290 27.616,291 21.822,292 21.822,293 21.822,294 21.822,295 21.822,296 17.634,297 26.098,298 7.899,299 22.739,300 4.882,301 3.075,302 2.199,303 1.526,304 1.351,305 1.351,306 4.415,308 2,313 1432,314 3.873,318 564.125,322 643.656,325 2.083,326 22.199,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.67,335 1,336 0.59,337 80.667,338 636,339 4.651,340 3.373,341 6.833,342 4.214,343 3.235,344 4.582,345 0.4,346 11.364,347 3.165,348 4.651,349 3.373,350 6.833,351 4.213,352 3.235,353 4.582,354 0.4,355 11.364,356 3.165,357 3.99,358 2.943,359 6.004,360 3.58,361 2.61,362 3.534,364 8.477,365 2.532,366 3.99,367 2.943,368 6.004,369 3.58,370 2.61,371 3.534,373 8.477,374 2.532,375 3.584,376 2.563,377 5.427,378 3.194,379 2.254,380 2.961,382 6.886,383 2.107,384 3.583,385 2.562,386 5.427,387 3.191,388 2.251,389 2.961,391 6.886,392 2.1,393 3.366,394 2.273,395 4.899,396 2.905,397 1.99,398 2.699,400 5.573,401 1.864,402 3.365,403 2.27,404 4.899,405 2.881,406 1.981,407 2.699,409 5.573,410 1.704,411 2.903,412 1.922,413 4.121,414 2.844,415 1.866,416 1.914,418 3.843,419 1.702,420 2.721,421 1.765,422 4.121,423 2.57,424 1.595,425 1.77,427 3.501,428 1.553,429 2.657,430 1.57,431 3.998,432 2.435,433 1.447,434 1.703,436 3.395,437 1.421,438 2.549,439 1.445,440 3.948,441 2.421,442 1.428,443 1.555,445 3.346,446 1.411,447 2.49,448 1.434,449 3.792,450 2.25,451 1.26,452 1.489,454 3.154,455 1.247,456 2.485,457 1.432,458 3.623,459 2.249,460 1.256,461 1.485,463 3.027,464 1.246,465 2.257,466 1.335,467 3.583,468 2.192,469 1.225,470 1.251,472 2.754,473 1.179,474 19.529,475 0.501,476 0.76,477 0.019,478 45.5,479 1.167,480 21,481 0.538,482 24.5,483 0.628,484 45.152,485 1.158,486 41.671,487 0.541,488 30.17,489 0.774,490 7.485,491 0.192,492 11.685,493 0.3,494 0.073,496 0.307,501 0.729,502 1.197,503 0.675,504 0.947,505 0.614,506 0.94,507 0.75,508 1.244,509 0.728,510 1.013,511 0.569,512 1.011,513 0.972,514 1.065,515 0.816,516 0.892,517 0.851,518 0.874,519 0.999,520 1.034,521 0.818,522 0.924,523 0.861,524 0.951,525 0.984,526 1.019,527 0.799,528 0.947,529 0.873,530 1.027,531 0.642,532 1.073,533 0.816,534 1.08,535 0.723,536 1.124,537 0.854,538 0.97,539 1.011,540 1.049,541 0.96,542 1.06,543 1.16,544 0.842,545 1.294,546 1.059,547 1.254,548 1.034,549 5.5,550 0.124,551 3.778,552 2.625,553 2.542,554 0.986,555 0.803,556 0.385,557 0.262,558 0.174,559 31076,560 69498,561 2.187,562 49.4,563 18,564 10,567 2,568 4,569 4,572 1.786,573 2.108,574 3.847,575 0.06,582 106.656,583 1.385,584 3.192,585 4.068,586 4.741,587 4.916,588 4.916,589 3.1,590 4.311,591 5.268,592 4.12,593 3052.81,594 9.233,595 57505.9,600 482.543,601 1.154,602 5.243,603 0.125,604 0.004,605 0.062,606 0.04,607 0.042,608 0.018,609 0.016,610 0.01,611 0.008,612 0.006,613 0.33,614 0.33,615 0.63,616 0.355,617 224.424,618 -0.012,619 -0.018,620 0.029,621 0.032,622 0.058,623 0.048,624 0.016,625 -0.144,626 0.028,627 -0.044,628 0.158,629 -0.03,630 0.002,631 -0.035,632 0.066,633 0.065,634 0.075,635 0.094,636 0.06,637 0.044,638 0.006,639 -0.002,640 0.069,641 -0.009,642 -0.132,643 0.043,644 -0.056,645 -0.015,646 -0.128,647 -0.07,648 0.055,649 -0.09,650 -0.022,651 -0.11,652 -0.017,653 -0.135,654 -0.021,655 -0.061,656 -0.023,657 -0.046,658 -0.073,659 -0.054,660 -0.076,661 0.046,662 -0.103,663 -0.033,664 -0.128,665 -0.025,666 0.91,667 2.166,668 0.718,669 41.041,670 0.986,671 1.121,672 5.684,673 32.313,674 0.681,675 3.807,676 4.127,677 4.443,678 4.771,679 5.081,680 5.193,681 5.323,682 5.447,683 5.493,684 5.347,685 9.907,686 0.626,687 561.65,688 3.807,689 5.352,690 6.217,691 7.106,692 7.993,693 8.894,694 9.792,695 10.698,696 11.601,697 12.51,698 5.2,703 2,708 2,714 4,715 6,716 2,720 8,722 22,734 2,740 2,741 77,743 22,744 2,745 44,747 82,748 33,749 18,750 6,751 6,756 6,757 12,758 2,767 8,770 13,772 18,773 15,793 38,794 4,795 2,796 6,797 2,802 4,808 0.333,822 2,829 6,833 4,859 2,865 2,868 39,876 15,877 2,892 2,901 18.5,902 13.686,903 8.556,904 5.535,907 4.665,908 1.515,909 1.026,910 8.654,911 13.718,912 4.025,913 4.654,914 5.303,915 5.962,916 6.607,917 6.989,918 7.363,919 7.736,920 8.014,921 7.863,922 1,923 66,924 14.504,926 6.208,927 0.026,929 7.39,931 29.191,933 25.277,936 1.89,937 73.722,941 423.76,942 127.851,943 69.593,944 78.297,948 127.851,949 502.057,950 69.593,952 37.16,953 56.857,954 69.593,955 33.834,957 423.76,958 78.297,959 423.76,960 197.444,962 78.297,964 376.675,965 47.084,968 46.962,969 80.889,970 147.89,972 423.76,973 69.593,974 206.149,977 423.76,978 70.994,979 56.857,980 36.022,981 111.868,982 423.76,983 69.593,984 206.149,986 0.573,987 0.336,988 0.198,989 0.119,990 30,991 12,992 0.122,993 10,994 4,995 1.286,996 5.101,997 383.454,998 0.286,999 28,1000 168.131,1005 26.962,1006 12.518,1007 6.099,1008 4.451,1009 69.593,1010 12.244,1011 9.9,1015 9.481,1017 36.022,1018 699.501,1019 55,1031 75.959,1032 86.355,1034 0.221,1035 0.509,1036 0.649,1037 0.756,1038 0.784,1039 0.784,1040 5.27,1041 1.981,1042 6.184,1043 5.573,1044 4.812,1045 5.342,1046 0.495,1047 7.011,1048 4.735,1049 6.467,1050 1.866,1051 7.741,1052 5.573,1053 4.29,1054 5.247,1056 7.941,1057 4.13,1058 7.783,1059 1.595,1060 9.406,1061 3.843,1062 6.402,1063 7.629,1064 0.097,1065 11.11,1066 6.271,1067 9.143,1068 1.447,1069 11.138,1070 3.501,1071 6.758,1072 8.41,1074 12.925,1075 6.577,1076 10.541,1077 1.428,1078 12.915,1079 3.395,1080 8.298,1081 10.266,1082 0.016,1083 15.606,1084 8.128,1085 11.967,1086 1.26,1087 14.724,1088 3.346,1089 9.088,1090 11.445,1092 17.779,1093 8.887,1094 13.415,1095 1.256,1096 16.556,1097 3.154,1098 10.394,1099 13.098,1100 0.003,1101 20.296,1102 10.19,1103 3.235,1104 1.225,1105 18.404,1106 3.027,1107 11.393,1108 14.462,1110 22.616,1111 11.165,1112 3.235,1113 11.364,1114 20.265,1115 2.754,1116 12.607,1117 16.033,1119 25.076,1120 12.368,1121 2.61,1122 11.364,1123 22.136,1124 4.582,1125 13.7,1126 17.482,1128 27.458,1129 13.44,1130 2.61,1131 8.477,1132 24.015,1133 4.582,1134 14.882,1135 19.022,1137 29.898,1138 14.605,1139 2.254,1140 8.477,1141 25.901,1142 3.534,1143 16.018,1144 20.51,1146 32.307,1147 15.721,1148 2.251,1149 6.886,1150 27.792,1151 3.534,1152 17.189,1153 22.037,1155 34.74,1156 16.873,1157 1.99,1158 6.886,1159 29.687,1160 2.961,1161 18.344,1162 23.543,1164 37.16,1165 18.007,1166 28082,1167 42240,1168 30.512,1169 52.444,1170 64.791,1171 66.078,1172 66.591,1173 65.39,1174 64.982,1175 82.378,1176 1.6,1177 185.703,1178 62.166,1179 5.615,1180 5.373,1181 6.741,1182 5.255,1183 5.235,1184 7.582,1185 0.8,1186 18.902,1187 5.165,1188 12.842,1189 1.473,1190 1.502,1191 1.513,1192 1.486,1193 1.477,1194 1.872,1195 0.036,1196 4.221,1197 1.413,1198 4.138,1199 4.168,1200 4.145,1201 4.067,1202 5.054,1203 4.07,1204 4.09,1205 4.117,1206 4.106,1207 4.024,1208 5.021,1209 4.028,1210 3.769,1211 3.833,1212 3.782,1213 3.667,1214 4.687,1215 3.652,1216 3.736,1217 3.78,1218 3.775,1219 3.66,1220 4.682,1221 3.645,1222 3.735,1223 3.779,1224 3.599,1225 3.634,1226 4.281,1227 3.616,1228 3.564,1229 3.643,1230 3.445,1231 3.396,1232 4.225,1233 3.386,1234 3.357,1235 3.428,1236 3.405,1237 3.218,1238 4.161,1239 3.21,1240 3.248,1241 3.299,1242 3.321,1243 3.149,1244 4.144,1245 3.133,1246 0.106,1247 0.077,1248 0.155,1249 0.096,1250 0.074,1251 4.651,1252 0.104,1253 3.373,1254 0.009,1255 6.833,1256 0.258,1257 4.214,1258 0.072,1259 3.235,1260 4.582,1261 0.4,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.15,1267 2.159,1268 1.439,1269 2.159,1270 2.07,1271 2.047,1272 2.148,1273 2.158,1274 1.435,1275 2.158,1276 1.778,1277 1.717,1278 2.027,1279 1.942,1280 1.383,1281 1.974,1282 1.75,1283 1.709,1284 1.927,1285 1.864,1286 1.179,1287 1.893,1288 1.75,1289 1.707,1290 1.924,1291 1.862,1292 1.146,1293 1.891,1294 1.562,1295 1.489,1296 1.827,1297 1.768,1298 1.111,1299 1.793,1300 1.332,1301 1.272,1302 1.575,1303 1.546,1304 0.821,1305 1.563,1306 1.243,1307 1.198,1308 1.463,1309 1.389,1310 0.756,1311 1.415,1312 4.489,1314 5.808,1316 7.34,1318 8.985,1320 10.694,1323 12.554,1328 17.496,1329 7.596,1340 48.223,1341 106.656,1342 245.787,1343 313.219,1344 365.033,1345 378.543,1346 378.543,1347 59.217,1348 9.053,1349 49.84,1350 49.84,1351 36,1352 13.027,1353 4.524,1354 3.585,1355 55.764,1356 246,1357 170,1358 0.108,1359 297.526,1360 509.72,1361 717.724,1362 166838,1363 2.6,1364 26.606,1365 0.682,1366 0.621,1367 27.606,1368 24.233,1369 19.17,1370 0.436,1371 0.355,1372 14.859,1373 18.294,1374 14.51,1375 11.958,1376 19.747,1377 15.626,1378 16.952,1379 0.278,1380 0.198,1381 17.769,1382 12.055,1383 14.528,1384 0.173,1385 0.106,1386 15.053,1387 8.877,1388 12.812,1389 0.11,1390 0.058,1391 13.281,1392 6.741,1393 11.215,1394 0.07,1395 0.033,1396 11.678,1397 5.219,1398 0.18,1399 123.095,1400 0.181,1401 36.077,1402 0.272,1403 210,1404 454.363,1405 248.588,1406 515.331,1407 713.54,1408 486,1409 250,1410 500.74,1411 278.177,1412 530.409,1413 787.42,1414 506,1415 10.155}
{0 CHEMBL307513,1 1.239,2 14.097,3 6.503,4 42.294,5 132.187,6 6.068,7 0.353,8 4.278,9 4.417,10 3.677,11 3.843,12 5.142,13 3.768,14 4.892,15 5.104,16 3.995,17 4.268,18 5.661,19 4.154,20 5.238,21 5.493,22 4.115,23 4.48,24 5.975,25 4.33,26 5.335,27 5.612,28 4.009,29 4.489,30 6.039,31 4.305,32 5.294,33 5.577,34 3.974,35 4.45,36 5.997,37 4.261,38 5.239,39 5.517,40 3.893,41 4.38,42 5.987,43 4.191,44 5.159,45 5.429,46 3.758,47 4.267,48 5.975,49 4.074,50 5.051,51 5.347,52 3.576,53 4.127,54 5.758,55 3.915,56 0.077,57 0.953,58 16.899,59 7.143,60 8.985,61 10.248,62 0.2,63 1.636,64 30.879,65 11.925,66 17.459,67 17.6,68 0.288,69 2.151,70 42.875,71 16.635,72 33.936,73 24.401,74 0.337,75 2.263,76 46.734,77 18.081,78 39.124,79 26.449,80 0.334,81 2.139,82 44.49,83 17.983,84 35.891,85 25.987,86 0.293,87 1.999,88 42.285,89 16.936,90 36.313,91 24.274,92 0.378,93 1.801,94 39.406,95 15.362,96 48.25,97 21.817,98 0.254,99 1.611,100 34.742,101 13.717,102 36.749,103 19.775,104 7,105 45,106 0.196,107 0.457,108 0.69,109 0.83,110 0.852,111 0.852,112 3.471,113 1.094,114 -6.1,115 -5.94,116 -5.53,121 40.6,122 1,123 8,124 1,127 5,144 8,145 3,146 1,159 1,176 18,180 9,187 18,192 11,200 14,206 6,214 14,218 1,219 6,227 21,232 2,239 19,243 1,244 5,251 15,256 5,264 12,269 2,277 10,281 1684,282 21.507,283 21.507,284 21.507,285 21.507,286 21.507,287 19.965,288 25.353,289 13.143,290 21.691,291 16.791,292 16.791,293 16.791,294 16.791,295 16.791,296 14.414,297 28.671,298 6.212,299 17.084,300 4.87,301 3.228,302 1.758,303 0.873,304 0.736,305 0.736,306 4.174,312 1,313 949,314 3.391,318 301.844,319 107.94,323 163.347,325 2.229,326 17.113,329 0.75,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.94,337 64,338 437,339 4.39,340 3.609,341 6.539,342 4.055,343 3.078,344 4.011,345 1.277,346 10.336,347 3.021,348 3.952,349 3.241,350 5.975,351 3.717,352 2.738,353 3.457,354 0.916,355 8.392,356 2.703,357 3.937,358 3.017,359 5.616,360 3.651,361 2.659,362 3.275,363 0.8,364 7.785,365 2.613,366 3.597,367 2.557,368 5.329,369 3.452,370 2.454,371 2.635,372 0.172,373 6.94,374 2.449,375 3.309,376 2.46,377 5.221,378 3.112,379 2.149,380 2.424,382 6.305,383 2.059,384 3.176,385 2.225,386 4.955,387 3.025,388 2.068,389 2.248,391 5.867,392 1.968,393 2.891,394 1.981,395 4.274,396 2.648,397 1.646,398 1.977,400 4.019,401 1.648,402 2.809,403 1.585,404 4.055,405 2.436,406 1.436,407 1.87,409 3.448,410 1.436,411 2.67,412 1.52,413 3.592,414 2.379,415 1.371,416 1.698,418 3.038,419 1.378,420 2.5,421 1.321,422 3.574,423 2.254,424 1.264,425 1.5,427 2.761,428 1.25,429 2.451,430 1.09,431 3.414,432 2,433 1,434 1.443,436 2.275,437 1,438 2.035,439 1.077,440 3.247,441 1.984,442 1,443 1.007,445 2.136,446 0.983,447 2,448 1,449 3.178,450 1.895,451 0.906,452 1,454 1.788,455 0.895,456 1.757,457 0.962,458 3.086,459 1.598,460 0.577,461 0.641,463 1.323,464 0.586,465 1.312,466 0.4,467 2.777,468 1.198,469 0.212,470 0.225,472 0.424,473 0.208,474 15.133,475 0.488,476 0.533,477 0.017,478 32.75,479 1.056,480 14,481 0.452,482 18.75,483 0.605,484 34.062,485 1.099,486 34.667,487 0.502,488 21.48,489 0.693,490 5.607,491 0.181,492 9.617,493 0.31,494 0.055,496 0.251,501 0.731,502 1.362,503 1.002,504 1.193,505 0.547,506 1.126,507 1.088,508 1.164,509 1.094,510 1.082,511 0.593,512 1.077,513 1.082,514 1.087,515 1.028,516 1.034,517 0.854,518 1.024,519 1.196,520 1.021,521 1.071,522 1.023,523 1.104,524 1.035,525 0.834,526 0.974,527 0.961,528 1.001,529 0.968,530 0.992,531 1.194,532 1.003,533 1.029,534 1.043,535 1.488,536 1.031,537 1.719,538 1.019,539 1.145,540 1.061,541 2.411,542 1.078,543 1.249,544 0.996,545 1.004,546 0.994,547 1.57,548 0.993,549 5,550 0.106,551 2.889,552 1.375,553 1.362,554 0.972,555 0.566,556 0.335,557 0.224,558 0.153,559 14995,560 26230,561 2.123,562 55.1,563 10,564 18,568 2,569 8,572 1.731,573 2.044,574 3.748,575 -0.895,582 85.461,583 1.239,584 2.881,585 4.351,586 5.235,587 5.373,588 5.373,589 3.205,590 4.696,591 4.925,592 3.944,593 1833.96,594 8.57,595 27671.2,600 421.488,601 1.14,602 4.91,603 0.147,604 0.004,605 0.064,606 0.028,607 0.032,608 0.024,609 0.015,610 0.011,611 0.009,612 0.006,613 0.34,614 0.5,615 0.88,616 0.735,617 164.896,618 0.061,619 -0.125,620 0.067,621 -0.023,622 0.035,623 0.013,624 -0.067,625 -0.009,626 -0.046,627 -0.03,628 0.018,629 -0.034,630 -0.031,631 -0.036,632 -0.015,633 -0.027,634 0.034,635 -0.02,636 -0.082,637 -0.019,638 -0.073,639 -0.044,640 -0.039,641 -0.055,642 0.087,643 -0.002,644 0.016,645 -0.01,646 0.01,647 -0.002,648 -0.028,649 -0.039,650 -0.038,651 -0.053,652 -0.072,653 -0.046,654 -0.056,655 -0.069,656 -0.125,657 -0.081,658 -0.179,659 -0.107,660 -0.046,661 -0.067,662 -0.023,663 -0.028,664 -0.083,665 -0.027,666 1.338,667 6,668 0.742,669 36.483,670 0.977,671 1.126,672 4.867,673 23.692,674 0.64,675 3.555,676 3.829,677 4.078,678 4.304,679 4.554,680 4.605,681 4.663,682 4.736,683 4.796,684 4.86,685 8.197,686 0.583,687 418.68,688 3.555,689 5.069,690 5.9,691 6.751,692 7.599,693 8.457,694 9.312,695 10.172,696 11.031,697 11.893,698 2.9,701 1,704 1,715 8,720 4,722 12,727 1,736 1,741 69,743 13,744 2,745 34,747 72,748 28,749 12,750 4,751 8,752 1,756 4,757 5,763 1,767 5,768 1,770 8,772 13,773 15,774 1,777 1,782 1,786 1,793 38,794 3,796 3,802 2,808 0.75,809 1,829 3,830 1,834 1,855 1,859 3,864 1,868 31,876 13,880 1,881 2,893 1.4,896 1,901 15.167,902 12.317,903 7,904 4.897,907 2.024,908 1.258,909 0.971,910 7.94,911 9.866,912 3.738,913 4.205,914 4.682,915 5.142,916 5.633,917 5.72,918 5.923,919 6.018,920 6.129,921 6.266,922 1,923 49,924 11.598,926 4.84,927 0.026,929 7.376,931 23.51,933 19.976,936 1.876,937 58.167,941 447.302,942 132.887,943 6.249,945 25.145,948 132.887,949 472.447,950 6.249,951 8.825,952 30.805,953 75.81,954 30.278,955 18.562,957 447.302,959 447.302,960 139.136,961 25.145,964 353.133,965 119.314,968 42.754,969 96.381,972 447.302,973 31.394,974 132.887,977 447.302,978 48.252,979 90.884,981 25.145,982 447.302,983 31.394,984 132.887,986 0.564,987 0.327,988 0.179,989 0.104,990 20,991 8,992 0.111,993 8,994 1,995 1.087,996 4.393,997 267.167,998 0.087,999 23,1000 143.58,1005 22.241,1006 11.067,1007 6.054,1009 31.394,1010 17.256,1015 5.062,1018 611.582,1019 41,1024 13,1028 0.329,1031 67.436,1032 77.68,1034 0.203,1035 0.472,1036 0.712,1037 0.857,1038 0.88,1039 0.88,1040 4.963,1041 1.436,1042 5.844,1043 4.019,1044 4.511,1045 4.89,1046 1.906,1047 6.592,1048 4.479,1049 6.092,1050 1.371,1051 7.357,1052 3.448,1053 3.892,1054 4.443,1055 0.57,1056 7.357,1057 3.836,1058 7.35,1059 1.264,1060 8.971,1061 3.038,1062 6.038,1063 6.888,1064 2.047,1065 10.442,1066 5.969,1067 8.639,1068 1,1069 10.646,1070 2.761,1071 6.275,1072 7.302,1073 0.581,1074 12.073,1075 6.186,1076 9.965,1077 1,1078 12.362,1079 2.275,1080 7.828,1081 9.208,1082 2.367,1083 14.646,1084 7.725,1085 11.315,1086 0.906,1087 14.107,1088 2.136,1089 8.483,1090 10.041,1091 0.515,1092 16.651,1093 8.362,1094 12.684,1095 0.577,1096 15.872,1097 1.788,1098 9.774,1099 11.704,1100 2.767,1101 19.051,1102 9.638,1103 3.078,1104 0.212,1105 17.653,1106 1.323,1107 10.644,1108 12.763,1109 0.441,1110 21.229,1111 10.49,1112 2.738,1113 10.336,1114 19.447,1115 0.424,1116 11.817,1117 14.299,1118 3.207,1119 23.572,1120 11.648,1121 2.659,1122 8.392,1123 21.251,1124 4.011,1125 12.799,1126 15.487,1127 0.373,1128 25.83,1129 12.61,1130 2.454,1131 7.785,1132 23.064,1133 3.457,1134 13.923,1135 16.954,1136 3.669,1137 28.157,1138 13.717,1139 2.149,1140 6.94,1141 24.884,1142 3.275,1143 14.963,1144 18.219,1145 0.314,1146 30.453,1147 14.737,1148 2.068,1149 6.305,1150 26.711,1151 2.635,1152 16.069,1153 19.648,1154 4.143,1155 32.778,1156 15.825,1157 1.646,1158 5.867,1159 28.544,1160 2.424,1161 17.14,1162 20.96,1163 0.264,1164 35.092,1165 16.876,1166 14106,1167 18759,1168 23.345,1169 44.171,1170 49.414,1171 50.346,1172 50.252,1173 49.249,1174 49.212,1175 58.925,1176 6.333,1177 133.905,1178 48.482,1179 5.39,1180 5.609,1181 6.341,1182 5.091,1183 5.078,1184 7.011,1185 2.555,1186 17.074,1187 5.021,1188 10.543,1189 1.453,1190 1.481,1191 1.478,1192 1.448,1193 1.447,1194 1.733,1195 0.186,1196 3.938,1197 1.426,1198 4.036,1199 4.074,1200 3.969,1201 3.953,1202 7.427,1203 3.952,1204 3.942,1205 3.986,1206 3.859,1207 3.861,1208 4.76,1209 3.856,1210 3.827,1211 3.874,1212 3.713,1213 3.725,1214 4.698,1215 3.714,1216 3.673,1217 3.726,1218 3.555,1219 3.535,1220 4.317,1221 3.529,1222 3.558,1223 3.631,1224 3.382,1225 3.411,1226 4.197,1227 3.392,1228 3.45,1229 3.516,1230 3.295,1231 3.298,1232 4.016,1233 3.29,1234 3.223,1235 3.295,1236 3.084,1237 3.063,1238 3.895,1239 3.058,1240 3.169,1241 3.249,1242 2.982,1243 2.983,1244 3.774,1245 2.971,1246 0.129,1247 0.106,1248 0.192,1249 0.119,1250 0.091,1251 4.39,1252 0.118,1253 3.609,1254 0.038,1255 6.539,1256 0.304,1257 4.055,1258 0.089,1259 3.078,1260 4.011,1261 1.277,1262 10.336,1263 3.021,1264 1.96,1265 1.934,1266 2.107,1267 2.076,1268 1.485,1269 2.089,1270 1.928,1271 1.893,1272 2.049,1273 2.033,1274 1.314,1275 2.039,1276 1.834,1277 1.785,1278 2.007,1279 1.948,1280 1.263,1281 1.971,1282 1.713,1283 1.645,1284 1.966,1285 1.897,1286 1.167,1287 1.925,1288 1.582,1289 1.52,1290 1.853,1291 1.764,1292 1.084,1293 1.796,1294 1.476,1295 1.411,1296 1.728,1297 1.672,1298 0.996,1299 1.696,1300 1.248,1301 1.183,1302 1.513,1303 1.455,1304 0.825,1305 1.476,1306 1.153,1307 1.064,1308 1.509,1309 1.376,1310 0.739,1311 1.429,1312 4.234,1314 5.517,1316 6.993,1317 2.708,1318 8.555,1319 5.198,1320 10.163,1322 2.241,1328 14.53,1332 0.688,1333 5.06,1340 40.24,1341 85.461,1342 198.772,1343 300.204,1344 361.224,1345 370.733,1346 370.733,1347 53.154,1348 7.842,1349 23.55,1350 23.55,1351 25,1352 12.442,1353 3.807,1354 3,1355 49.82,1356 154,1357 153,1358 0.155,1359 246.875,1360 434.03,1361 594.136,1362 32620,1364 21.468,1365 0.693,1366 0.619,1367 21.468,1368 19.191,1369 15.225,1370 0.448,1371 0.365,1372 12.326,1373 14.954,1374 12.01,1375 9.983,1376 15.225,1377 12.4,1378 13.011,1379 0.289,1380 0.21,1381 13.011,1382 9.455,1383 10.946,1384 0.189,1385 0.122,1386 10.946,1387 7.101,1388 8.895,1389 0.122,1390 0.072,1391 8.895,1392 5.238,1393 7.527,1394 0.08,1395 0.043,1396 7.527,1397 4.004,1398 0.252,1399 93.113,1400 0.207,1401 29.852,1402 0.4,1403 158,1404 319.026,1405 164.6,1406 317.019,1407 441.22,1408 300,1409 182,1410 323.566,1411 189.655,1412 332.491,1413 484.51,1414 315,1415 5.876}
{0 CHEMBL307693,1 1.257,2 15.364,3 6.302,4 39.715,5 138.325,6 6.547,7 0.486,8 4.267,9 4.395,10 3.742,11 3.874,12 5.202,13 3.812,14 4.853,15 5.043,16 4.075,17 4.298,18 5.701,19 4.204,20 5.167,21 5.402,22 4.095,23 4.457,24 5.963,25 4.312,26 5.253,27 5.524,28 3.979,29 4.423,30 5.993,31 4.246,32 5.193,33 5.476,34 3.982,35 4.366,36 5.937,37 4.202,38 5.093,39 5.335,40 3.986,41 4.351,42 5.941,43 4.206,44 5.099,45 5.347,46 3.847,47 4.309,48 5.955,49 4.138,50 5.009,51 5.29,52 3.724,53 4.186,54 5.733,55 3.999,56 0.066,57 0.905,58 15.391,59 6.733,60 8.926,61 9.425,62 0.184,63 1.591,64 28.54,65 11.359,66 17.58,67 16.273,68 0.251,69 2.051,70 39.528,71 16.04,72 33.772,73 22.844,74 0.302,75 2.157,76 43.615,77 17.357,78 40.215,79 24.812,80 0.334,81 2.015,82 41.156,83 16.38,84 36.062,85 23.49,86 0.263,87 1.837,88 36.983,89 15.073,90 34.161,91 21.091,92 0.353,93 1.806,94 37.502,95 15.242,96 51.378,97 21.179,98 0.181,99 1.668,100 33.807,101 14.209,102 29.496,103 20.297,104 2,105 50,106 0.198,107 0.47,108 0.655,109 0.775,110 0.806,111 0.825,112 3.531,113 1.01,114 -6.26,115 -6.1,116 -5.66,121 44.8,123 5,124 1,127 5,144 13,145 4,146 1,159 1,176 21,180 9,187 22,192 10,200 15,206 8,214 10,218 1,219 7,227 19,232 2,239 25,243 1,244 3,251 21,256 6,264 15,269 4,277 12,281 2098,282 22.947,283 22.947,284 22.947,285 22.947,286 22.947,287 20.653,288 25.65,289 13.867,290 23.122,291 18.325,292 18.325,293 18.325,294 18.325,295 18.325,296 14.915,297 32.154,298 6.687,299 18.602,300 4.809,301 3.085,302 1.914,303 1.151,304 0.955,305 0.836,306 4.245,312 1,313 1130,314 3.317,317 85.96,318 452.312,321 151.295,325 2.435,326 17.446,329 0.75,330 0.83,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.78,337 68,338 507,339 4.416,340 3.611,341 6.569,342 4.094,343 3.121,344 4.026,345 1.277,346 10.447,347 3.048,348 3.992,349 3.324,350 5.982,351 3.735,352 2.745,353 3.457,354 0.916,355 8.43,356 2.732,357 3.94,358 3.017,359 5.616,360 3.666,361 2.683,362 3.456,363 0.916,364 7.785,365 2.619,366 3.864,367 2.723,368 5.438,369 3.492,370 2.493,371 3.276,372 0.172,373 7.188,374 2.488,375 3.597,376 2.557,377 5.329,378 3.444,379 2.443,380 2.635,381 0.172,382 6.937,383 2.443,384 3.199,385 2.227,386 4.982,387 3.03,388 2.075,389 2.34,391 5.868,392 1.971,393 3.155,394 2.169,395 4.954,396 2.87,397 1.904,398 2.244,400 5.609,401 1.832,402 2.878,403 1.957,404 4.285,405 2.517,406 1.501,407 2.022,409 4.003,410 1.52,411 2.866,412 1.534,413 4.043,414 2.432,415 1.435,416 1.969,418 3.308,419 1.43,420 2.803,421 1.52,422 3.593,423 2.407,424 1.41,425 1.858,427 3.039,428 1.404,429 2.5,430 1.309,431 3.585,432 2.154,433 1.173,434 1.5,436 2.948,437 1.148,438 2.5,439 1.089,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.476,448 1.077,449 3.264,450 2,451 1,452 1.467,454 2.136,455 1,456 2,457 1,458 3.247,459 1.984,460 1,461 1,463 2.136,464 0.983,465 1.894,466 1,467 3.247,468 1.719,469 0.727,470 0.826,472 1.724,473 0.72,474 16.133,475 0.489,476 0.602,477 0.018,478 40.25,479 1.22,480 20,481 0.606,482 20.25,483 0.614,484 31.109,485 0.943,486 34.867,487 0.52,488 27.838,489 0.844,490 7.565,491 0.229,492 8.677,493 0.263,494 0.021,496 0.267,501 0.707,502 1.235,503 0.903,504 1.07,505 0.535,506 1.009,507 1.107,508 1.11,509 1.063,510 1.03,511 0.619,512 1.03,513 1.071,514 1.145,515 1.101,516 1.118,517 0.908,518 1.11,519 1.146,520 1.058,521 1.041,522 1.036,523 1.137,524 1.033,525 0.947,526 0.844,527 0.859,528 0.846,529 0.997,530 0.845,531 1.385,532 0.988,533 1.057,534 1.028,535 1.656,536 1.025,537 1.632,538 0.998,539 1.174,540 1.052,541 2.178,542 1.091,543 0.617,544 1.028,545 0.915,546 1.033,547 0.651,548 1.001,549 5.5,550 0.139,551 2.889,552 1.354,553 1.333,554 0.879,555 0.545,556 0.381,557 0.289,558 0.152,559 19200,560 37068,561 2.187,562 50.7,563 3,564 23,568 2,569 6,572 1.747,573 2.129,574 3.881,575 -0.901,582 84.248,583 1.257,584 2.981,585 4.152,586 4.915,587 5.111,588 5.23,589 3.362,590 4.56,591 5.013,592 4.065,593 2146.54,594 8.748,595 34291.4,600 406.428,601 1.027,602 5.01,603 0.149,604 0.005,605 0.058,606 0.028,607 0.033,608 0.02,609 0.013,610 0.011,611 0.009,612 0.005,613 0.33,614 0.5,615 0.75,616 0.306,617 179.826,618 0.055,619 -0.101,620 0.072,621 -0.008,622 0.035,623 0.024,624 -0.093,625 0.008,626 -0.068,627 -0.031,628 -0.003,629 -0.042,630 -0.058,631 -0.122,632 -0.113,633 -0.128,634 0.003,635 -0.124,636 -0.042,637 -0.082,638 -0.049,639 -0.065,640 -0.04,641 -0.059,642 0.107,643 0.124,644 0.133,645 0.123,646 0.035,647 0.13,648 -0.073,649 -0.003,650 -0.056,651 -0.036,652 -0.11,653 -0.042,654 -0.111,655 -0.04,656 -0.165,657 -0.063,658 -0.213,659 -0.113,660 0.091,661 -0.084,662 0.051,663 -0.043,664 0.079,665 -0.005,666 1.365,667 6.029,668 0.818,669 43.062,670 0.98,671 1.117,672 5.029,673 25.286,674 0.666,675 3.638,676 3.932,677 4.19,678 4.431,679 4.663,680 4.691,681 4.836,682 4.97,683 5.017,684 5.094,685 8.783,686 0.615,687 438.66,688 3.638,689 5.165,690 6.004,691 6.862,692 7.716,693 8.579,694 9.441,695 10.309,696 11.175,697 12.047,698 3,701 1,704 1,715 13,720 5,722 18,727 1,736 1,741 67,743 19,744 3,745 37,747 71,748 30,749 18,750 5,751 13,752 1,756 5,757 6,767 3,768 1,770 5,772 19,773 11,774 1,777 1,782 1,786 1,793 34,794 3,796 3,802 2,808 0.8,809 1,828 1,829 4,832 1,855 1,859 4,868 33,876 10,880 1,881 2,893 1.5,896 1,901 15.5,902 11.733,903 7.25,904 4.383,907 2.955,908 1.358,909 1.005,910 6.998,911 11.212,912 3.871,913 4.388,914 4.888,915 5.369,916 5.862,917 5.899,918 6.192,919 6.448,920 6.662,921 6.947,922 1,923 48,924 12.3,926 5.226,927 0.026,929 7.419,931 24.663,933 21.127,936 1.919,937 63.333,941 400.217,942 167.025,943 6.249,945 25.145,948 167.025,949 425.362,950 6.249,952 23.201,953 123.191,954 30.278,955 21.748,957 400.217,959 400.217,960 173.274,961 25.145,964 329.591,965 95.772,968 26.325,969 146.948,972 400.217,973 31.394,974 167.025,977 400.217,978 43.834,979 129.44,981 25.145,982 400.217,983 31.394,984 167.025,986 0.573,987 0.329,988 0.175,989 0.098,990 24,991 9,992 0.113,993 8,994 1,995 1.074,996 4.701,997 295.651,998 0.074,999 27,1000 154.465,1005 22.072,1006 10.462,1007 5.609,1009 31.394,1010 27.722,1015 6.215,1018 598.636,1019 47,1024 13.029,1028 0.302,1031 65.669,1032 74.849,1034 0.207,1035 0.491,1036 0.684,1037 0.81,1038 0.843,1039 0.862,1040 5.097,1041 1.501,1042 5.953,1043 5.609,1044 4.615,1045 5.075,1046 1.984,1047 6.706,1048 4.586,1049 6.248,1050 1.435,1051 7.468,1052 4.003,1053 4.007,1054 4.59,1055 0.57,1056 7.455,1057 3.958,1058 7.512,1059 1.41,1060 9.08,1061 3.308,1062 6.151,1063 7.114,1064 2.109,1065 10.543,1066 6.088,1067 8.807,1068 1.173,1069 10.752,1070 3.039,1071 6.399,1072 7.462,1073 0.674,1074 12.165,1075 6.315,1076 10.136,1077 1,1078 12.463,1079 2.948,1080 7.953,1081 9.44,1082 2.407,1083 14.739,1084 7.856,1085 11.487,1086 1,1087 14.203,1088 2.275,1089 8.616,1090 10.203,1091 0.66,1092 16.745,1093 8.496,1094 12.858,1095 1,1096 15.963,1097 2.136,1098 9.911,1099 11.92,1100 2.79,1101 19.147,1102 9.776,1103 3.121,1104 0.727,1105 17.74,1106 2.136,1107 10.789,1108 12.919,1109 0.611,1110 21.332,1111 10.628,1112 2.745,1113 10.447,1114 19.531,1115 1.724,1116 11.969,1117 14.492,1118 3.22,1119 23.68,1120 11.79,1121 2.683,1122 8.43,1123 21.333,1124 4.026,1125 12.959,1126 15.634,1127 0.55,1128 25.947,1129 12.753,1130 2.493,1131 7.785,1132 23.144,1133 3.457,1134 14.091,1135 17.123,1136 3.677,1137 28.283,1138 13.864,1139 2.443,1140 7.188,1141 24.964,1142 3.456,1143 15.141,1144 18.355,1145 0.487,1146 30.589,1147 14.886,1148 2.075,1149 6.937,1150 26.791,1151 3.276,1152 16.257,1153 19.796,1154 4.147,1155 32.924,1156 15.979,1157 1.904,1158 5.868,1159 28.624,1160 2.635,1161 17.339,1162 21.086,1163 0.427,1164 35.249,1165 17.033,1166 17559,1167 24503,1168 25.83,1169 44.648,1170 54.993,1171 55.712,1172 55.007,1173 54.604,1174 54.566,1175 68.459,1176 6.91,1177 150.372,1178 53.833,1179 5.416,1180 5.611,1181 6.371,1182 5.129,1183 5.121,1184 7.026,1185 2.555,1186 17.192,1187 5.048,1188 7.426,1189 1.486,1190 1.506,1191 1.487,1192 1.476,1193 1.475,1194 1.85,1195 0.187,1196 4.064,1197 1.455,1198 4.059,1199 4.094,1200 3.998,1201 3.976,1202 7.427,1203 3.977,1204 3.946,1205 3.993,1206 3.862,1207 3.864,1208 4.789,1209 3.858,1210 3.88,1211 3.91,1212 3.808,1213 3.825,1214 4.747,1215 3.817,1216 3.824,1217 3.869,1218 3.711,1219 3.725,1220 4.684,1221 3.714,1222 3.591,1223 3.638,1224 3.494,1225 3.436,1226 4.318,1227 3.442,1228 3.37,1229 3.441,1230 3.227,1231 3.213,1232 4.063,1233 3.206,1234 3.19,1235 3.254,1236 3.058,1237 3.038,1238 3.894,1239 3.032,1240 3.111,1241 3.206,1242 2.923,1243 2.965,1244 3.728,1245 2.945,1246 0.119,1247 0.098,1248 0.178,1249 0.111,1250 0.084,1251 4.416,1252 0.109,1253 3.611,1254 0.035,1255 6.569,1256 0.282,1257 4.094,1258 0.082,1259 3.121,1260 4.026,1261 1.277,1262 10.447,1263 3.048,1264 1.948,1265 1.92,1266 2.106,1267 2.073,1268 1.485,1269 2.087,1270 1.927,1271 1.893,1272 2.047,1273 2.021,1274 1.21,1275 2.031,1276 1.894,1277 1.867,1278 2.023,1279 1.977,1280 1.187,1281 1.993,1282 1.826,1283 1.779,1284 1.983,1285 1.934,1286 1.157,1287 1.954,1288 1.522,1289 1.464,1290 1.763,1291 1.713,1292 1.031,1293 1.734,1294 1.467,1295 1.399,1296 1.704,1297 1.675,1298 0.948,1299 1.688,1300 1.222,1301 1.164,1302 1.513,1303 1.421,1304 0.825,1305 1.438,1306 1.153,1307 1.064,1308 1.469,1309 1.376,1310 0.694,1311 1.429,1312 4.317,1314 5.617,1315 2.398,1316 7.107,1317 4.727,1318 8.678,1319 6.823,1320 10.291,1328 10.422,1332 0.671,1333 4.972,1340 41.186,1341 84.248,1342 199.713,1343 278.183,1344 329.309,1345 342.428,1346 350.428,1347 50.036,1348 8.257,1349 23.55,1350 23.55,1351 29,1352 12.59,1353 4.322,1354 3.459,1355 48.213,1356 174,1357 175,1358 0.13,1359 249.885,1360 437.45,1361 601.478,1362 55710,1364 22.46,1365 0.681,1366 0.59,1367 22.46,1368 19.457,1369 16.242,1370 0.439,1371 0.337,1372 12.383,1373 15.975,1374 12.088,1375 9.985,1376 16.242,1377 12.457,1378 14.255,1379 0.285,1380 0.193,1381 14.255,1382 9.668,1383 12.156,1384 0.187,1385 0.113,1386 12.156,1387 7.351,1388 9.925,1389 0.12,1390 0.064,1391 9.925,1392 5.341,1393 8.241,1394 0.078,1395 0.037,1396 8.241,1397 3.931,1398 0.214,1399 99.219,1400 0.197,1401 31.6,1402 0.334,1403 174,1404 367.026,1405 180.6,1406 367.863,1407 513.39,1408 348,1409 202,1410 377.566,1411 209.822,1412 390.296,1413 567.24,1414 369,1415 6.069}
{0 CHEMBL307721,1 1.486,2 8.864,3 2.967,4 8.804,5 87.559,6 6.698,7 0.25,8 3.893,9 4.027,10 3.377,11 3.366,12 4.916,13 3.339,14 4.478,15 4.683,16 3.789,17 3.8,18 5.461,19 3.756,20 4.723,21 4.919,22 3.891,23 4.024,24 5.63,25 3.946,26 4.94,27 5.19,28 3.817,29 4.105,30 5.796,31 3.986,32 4.889,33 5.133,34 3.672,35 4.054,36 5.76,37 3.891,38 4.892,39 5.202,40 3.431,41 3.856,42 5.661,43 3.667,44 4.517,45 4.786,46 3.263,47 3.542,48 5.446,49 3.391,50 4.321,51 4.592,52 3.048,53 3.249,54 5.375,55 3.133,56 0.025,57 0.662,58 10.621,59 4.006,60 8.852,61 5.819,62 0.404,63 1.076,64 20.312,65 6.488,66 33.122,67 9.816,68 0.171,69 1.343,70 25.452,71 9.098,72 25.996,73 13.326,74 0.394,75 1.518,76 32.661,77 10.456,78 43.299,79 15.816,80 0.234,81 1.417,82 30.334,83 11.315,84 37.403,85 16.576,86 0.399,87 1.216,88 31.741,89 10.498,90 46.132,91 15.775,92 0.27,93 0.884,94 21.558,95 7.178,96 33.9,97 10.597,98 0.359,99 0.698,100 18.333,101 4.875,102 43.686,103 7.467,104 35,105 36,106 0.261,107 0.627,108 0.835,109 0.877,110 0.877,111 0.877,112 3.148,113 0.954,114 -3.51,115 -3.48,116 -3.32,121 37.8,122 1,123 1,125 1,126 2,127 2,130 1,136 1,137 1,144 3,145 1,146 2,161 1,176 6,179 2,180 8,183 2,187 6,192 9,200 5,206 6,211 2,214 5,218 1,219 6,224 2,227 6,231 1,232 1,237 1,239 4,243 1,244 2,247 1,249 2,251 3,255 1,256 1,259 1,264 1,269 1,281 592,282 14.703,283 14.703,284 14.703,285 14.703,286 14.703,287 13.758,288 24.133,289 8.416,290 15.092,291 11.703,292 11.703,293 11.703,294 11.703,295 11.703,296 10.109,297 31.605,298 3.795,299 12.287,300 4.006,301 1.917,302 0.734,303 0.495,304 0.495,305 0.495,306 3.82,310 1,311 1,312 1,313 408,314 3.606,317 75.257,318 45.461,320 61.162,321 67.304,324 93.516,325 1.409,326 16.715,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 47.5,338 195,339 4.835,340 3.978,341 8.009,342 4.717,343 3.74,344 4.207,345 2.186,346 15.335,347 3.658,348 3.988,349 3.658,350 6.256,351 3.649,352 2.698,353 3.323,354 1.013,355 8.95,356 2.566,357 3.681,358 2.892,359 6.175,360 3.401,361 2.459,362 2.886,363 0.763,364 8.649,365 2.302,366 3.504,367 2.745,368 5.455,369 3.353,370 2.422,371 2.598,372 0.366,373 7.229,374 2.237,375 3.343,376 2.554,377 5.016,378 2.984,379 2.02,380 2.489,381 0.191,382 5.453,383 1.928,384 2.839,385 1.908,386 4.718,387 2.538,388 1.582,389 1.851,391 4.769,392 1.508,393 2.521,394 1.413,395 4.222,396 2.15,397 1.161,398 1.526,400 3.061,401 1.146,402 2.465,403 1.15,404 3.723,405 2.02,406 1.033,407 1.319,409 2.015,410 1.018,411 1.792,412 1.106,413 3.261,414 1.665,415 0.705,416 0.75,418 1.599,419 0.674,420 1.508,421 0.908,422 3.024,423 1.303,424 0.388,425 0.413,427 0.588,428 0.351,429 1.24,430 0.644,431 2.914,432 0.843,433 -0.128,434 -0.158,436 -0.27,437 -0.122,438 1.008,439 -0.012,440 2.544,441 0.703,442 -0.25,443 -0.292,445 -0.505,446 -0.237,447 0.694,448 -0.17,449 2.417,450 0.319,451 -0.664,452 -0.817,454 -1.605,455 -0.645,456 0.547,457 -0.502,458 2.277,459 0.205,460 -0.77,461 -0.876,463 -1.933,464 -0.748,465 0.352,466 -0.661,467 2.139,468 0.082,469 -0.909,470 -1.233,472 -2.686,473 -0.894,474 10.367,475 0.471,476 0.665,477 0.03,478 24.25,479 1.102,480 9.5,481 0.432,482 14.75,483 0.67,484 20.339,485 0.925,486 25.033,487 0.556,488 17.808,489 0.809,490 4.822,491 0.219,492 5.685,493 0.258,494 0.225,495 0.048,496 0.318,501 0.825,502 1.603,503 0.875,504 1.289,505 0.669,506 1.112,507 0.757,508 0.867,509 0.83,510 0.774,511 0.429,512 0.786,513 0.971,514 1.348,515 1.017,516 1.214,517 0.666,518 1.137,519 1.161,520 0.926,521 1.122,522 0.944,523 0.864,524 1.004,525 0.657,526 1.253,527 1.109,528 1.352,529 0.767,530 1.309,531 0.839,532 0.776,533 0.827,534 0.839,535 0.705,536 0.841,537 0.936,538 1.062,539 0.947,540 1.098,541 1.058,542 1.05,543 1.659,544 0.838,545 1.128,546 0.839,547 2.32,548 0.902,549 5.5,550 0.033,551 3.556,552 3.146,553 1.531,554 0.917,555 0.527,556 0.338,557 0.199,558 0.065,559 4197,560 10185,561 2.006,562 51.1,563 3,564 16,565 1,567 1,569 2,572 1.649,573 1.821,574 3.07,575 -0.31,576 1,577 1,579 1,582 66.85,583 1.486,584 3.575,585 4.758,586 4.997,587 4.997,588 4.997,589 2.629,590 4.369,591 4.42,592 3.197,593 738.461,594 7.624,595 7708.15,597 1,599 1,600 247.133,601 1.742,602 4.35,603 0.229,604 0.008,605 0.099,606 0.081,607 0.044,608 0.033,609 0.024,610 0.019,611 0.014,612 0.009,613 0.56,614 0.5,615 1,616 1.52,617 98.882,618 -0.009,619 -0.31,620 0.073,621 -0.131,622 -0.058,623 -0.035,624 0.259,625 0.321,626 0.164,627 0.24,628 0.212,629 0.202,630 -0.075,631 -0.222,632 -0.059,633 -0.136,634 0.014,635 -0.104,636 -0.19,637 0.116,638 -0.144,639 0.037,640 -0.055,641 -0.029,642 0.034,643 -0.25,644 -0.181,645 -0.303,646 -0.037,647 -0.279,648 0.05,649 0.056,650 0.14,651 0.106,652 0.009,653 0.131,654 0.096,655 -0.161,656 0.032,657 -0.125,658 -0.011,659 -0.073,660 -0.102,661 0.072,662 -0.069,663 0.031,664 -0.186,665 -0.012,666 2.104,667 4.427,668 0.545,669 17.975,670 0.995,671 1.135,672 2.276,673 5.178,674 0.634,675 3.219,676 3.611,677 3.97,678 4.331,679 4.564,680 4.7,681 4.89,682 4.97,683 4.934,684 4.868,685 5.021,686 0.595,687 301.43,688 3.219,689 4.796,690 5.694,691 6.635,692 7.566,693 8.521,694 9.467,695 10.429,696 11.384,697 12.349,698 6.7,701 1,704 1,705 1,715 3,720 3,722 6,736 1,737 1,741 45,743 8,744 1,745 24,747 47,748 17,749 6,750 3,751 3,756 3,757 6,763 1,764 1,766 1,767 1,770 1,772 9,773 8,777 2,778 1,782 1,784 1,786 1,789 1,790 1,793 23,794 5,795 1,796 5,802 3,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,848 1,849 1,855 1,859 1,864 3,868 22,876 3,877 1,878 1,880 1,881 2,882 1,893 4.4,896 1,898 1,901 12.083,902 8.9,903 4.903,904 2.632,907 1.403,908 1.197,909 0.934,910 3.912,911 8.525,912 3.401,913 3.922,914 4.434,915 4.979,916 5.469,917 5.747,918 6.122,919 6.381,920 6.46,921 6.493,922 1,923 39,924 8.135,926 3.432,927 0.026,929 7.67,931 15.795,933 13.258,936 2.17,937 47.75,940 1,941 258.964,942 103.984,943 24.259,945 36.145,948 103.984,949 295.109,950 24.259,951 25.618,952 40.524,953 37.905,954 25.145,955 28.434,956 18.534,957 247.193,959 258.964,960 128.243,961 36.145,964 235.422,965 59.687,968 36.706,969 82.061,970 9.476,972 258.964,973 60.404,974 103.984,977 258.964,978 24.694,979 69.772,980 18.011,981 51.912,982 258.964,983 60.404,984 103.984,986 0.587,987 0.363,988 0.205,989 0.115,990 19,991 9,992 0.085,993 4,994 2,995 1.333,996 3.239,997 182.413,998 0.333,999 12,1000 98.107,1005 15.379,1006 5.596,1007 2.343,1009 60.404,1010 5.911,1015 3.064,1017 18.011,1018 423.352,1019 29,1020 3.867,1024 11.427,1026 1.961,1028 -0.437,1031 44.796,1032 51.066,1034 0.271,1035 0.651,1036 0.866,1037 0.91,1038 0.91,1039 0.91,1040 4.705,1041 1.033,1042 5.753,1043 3.061,1044 4.29,1045 4.605,1046 2.511,1047 6.73,1048 4.201,1049 5.917,1050 0.705,1051 7.424,1052 2.015,1053 4.205,1054 4.559,1055 1.905,1056 8.182,1057 4.094,1058 7.261,1059 0.388,1060 9.215,1061 1.599,1062 6.08,1063 6.692,1064 3.546,1065 11.362,1066 5.924,1067 8.644,1068 -0.128,1069 11.084,1070 0.588,1071 6.836,1072 7.436,1073 3.617,1074 13.684,1075 6.677,1076 10.068,1077 -0.25,1078 13.004,1079 -0.27,1080 8.28,1081 9.135,1082 4.916,1083 16.517,1084 8.09,1085 11.521,1086 -0.664,1087 14.963,1088 -0.505,1089 9.384,1090 10.231,1091 5.294,1092 19.128,1093 9.192,1094 12.999,1095 -0.77,1096 16.951,1097 -1.605,1098 10.716,1099 11.776,1100 6.389,1101 21.882,1102 10.503,1103 3.74,1104 -0.909,1105 18.96,1106 -1.933,1107 11.954,1108 13.041,1109 6.931,1110 24.578,1111 11.731,1112 2.698,1113 15.335,1114 20.986,1115 -2.686,1116 13.265,1117 14.524,1118 7.902,1119 27.314,1120 13.023,1121 2.459,1122 8.95,1123 23.024,1124 4.207,1125 14.553,1126 15.872,1127 8.539,1128 30.034,1129 14.296,1130 2.422,1131 8.649,1132 25.073,1133 3.323,1134 15.864,1135 17.329,1136 9.436,1137 32.765,1138 15.587,1139 2.02,1140 7.229,1141 27.129,1142 2.886,1143 17.17,1144 18.719,1145 10.13,1146 35.492,1147 16.875,1148 1.582,1149 5.453,1150 29.191,1151 2.598,1152 18.484,1153 20.165,1154 10.981,1155 38.223,1156 18.169,1157 1.161,1158 4.769,1159 31.257,1160 2.489,1161 19.798,1162 21.576,1163 11.71,1164 40.952,1165 19.462,1166 4289,1167 6766,1168 15.315,1169 28.54,1170 36.848,1171 37.955,1172 39.721,1173 36.392,1174 36.417,1175 42.722,1176 9.039,1177 115.295,1178 34.779,1179 5.799,1180 5.978,1181 7.774,1182 5.782,1183 5.74,1184 7.207,1185 3.889,1186 23.869,1187 5.658,1188 12.816,1189 1.535,1190 1.581,1191 1.655,1192 1.516,1193 1.517,1194 1.78,1195 0.377,1196 4.804,1197 1.449,1198 4.093,1199 4.131,1200 4.04,1201 3.996,1202 7.435,1203 4.002,1204 3.731,1205 3.773,1206 3.65,1207 3.592,1208 4.838,1209 3.596,1210 3.55,1211 3.609,1212 3.452,1213 3.385,1214 4.71,1215 3.373,1216 3.463,1217 3.53,1218 3.319,1219 3.205,1220 4.422,1221 3.244,1222 3.291,1223 3.387,1224 3.117,1225 3.059,1226 4.197,1227 3.059,1228 3.119,1229 3.217,1230 2.905,1231 2.927,1232 4.022,1233 2.907,1234 2.969,1235 3.014,1236 2.77,1237 2.699,1238 3.848,1239 2.703,1240 2.79,1241 2.904,1242 2.587,1243 2.611,1244 3.749,1245 2.599,1246 0.201,1247 0.166,1248 0.334,1249 0.197,1250 0.156,1251 4.835,1252 0.175,1253 3.978,1254 0.091,1255 8.009,1256 0.639,1257 4.717,1258 0.152,1259 3.74,1260 4.207,1261 2.186,1262 15.335,1263 3.658,1264 1.903,1265 1.884,1266 2.004,1267 1.995,1268 1.31,1269 1.996,1270 1.67,1271 1.608,1272 1.872,1273 1.872,1274 1.104,1275 1.875,1276 1.609,1277 1.553,1278 1.828,1279 1.783,1280 1.024,1281 1.801,1282 1.41,1283 1.341,1284 1.692,1285 1.732,1286 0.736,1287 1.718,1288 1.353,1289 1.272,1290 1.642,1291 1.571,1292 0.682,1293 1.601,1294 1.182,1295 1.088,1296 1.542,1297 1.436,1298 0.628,1299 1.476,1300 0.88,1301 0.833,1302 1.28,1303 1.209,1304 0.389,1305 1.207,1306 0.862,1307 0.751,1308 1.124,1309 1.154,1310 0.16,1311 1.175,1312 3.892,1314 5.263,1315 3.045,1316 6.843,1317 5.638,1318 8.529,1319 7.928,1320 10.281,1322 5.993,1328 3.032,1329 2.479,1330 5.294,1332 0.329,1333 4.78,1334 0.051,1340 26.762,1341 66.85,1342 160.869,1343 214.114,1344 224.869,1345 224.869,1346 224.869,1347 33.538,1348 7.122,1349 44.81,1350 44.81,1351 16,1352 12.831,1353 3.17,1354 2.585,1355 34.348,1356 65,1357 76,1358 0.276,1359 165.398,1360 292.06,1361 395.332,1362 9708,1364 15.905,1365 0.723,1366 0.61,1367 15.905,1368 13.426,1369 10.507,1370 0.438,1371 0.318,1372 7.501,1373 10.04,1374 7.201,1375 6.017,1376 10.507,1377 7.629,1378 9.677,1379 0.269,1380 0.174,1381 9.677,1382 6.254,1383 8.516,1384 0.164,1385 0.095,1386 8.516,1387 4.943,1388 7.423,1389 0.099,1390 0.053,1391 7.423,1392 3.967,1393 5.965,1394 0.063,1395 0.029,1396 5.965,1397 2.769,1398 0.414,1399 66.193,1400 0.256,1401 21.135,1402 0.816,1403 120,1404 315.094,1405 133.025,1406 301.089,1407 416.12,1408 282,1409 148,1410 313.599,1411 161.309,1412 317.182,1413 471.28,1414 296,1415 7.421}
{0 CHEMBL307832,1 1.451,2 14.226,3 5.172,4 26.748,5 126.005,6 6.8,7 0.353,8 4.2,9 4.329,10 3.69,11 3.748,12 5.209,13 3.7,14 4.793,15 4.981,16 4.024,17 4.181,18 5.813,19 4.099,20 5.145,21 5.382,22 4.124,23 4.388,24 6.034,25 4.266,26 5.244,27 5.511,28 3.968,29 4.347,30 6.113,31 4.187,32 5.124,33 5.404,34 3.89,35 4.217,36 5.985,37 4.063,38 4.987,39 5.24,40 3.789,41 4.104,42 5.928,43 3.964,44 4.885,45 5.12,46 3.76,47 4.042,48 5.84,49 3.916,50 4.911,51 5.166,52 3.625,53 3.987,54 5.839,55 3.838,56 0.136,57 0.89,58 14.083,59 6.079,60 9.444,61 8.413,62 0.243,63 1.489,64 26.584,65 10.488,66 44.059,67 14.913,68 0.256,69 1.957,70 38.88,71 14.71,72 46.09,73 21.275,74 0.405,75 1.996,76 44.251,77 15.777,78 68.181,79 22.963,80 0.408,81 1.745,82 39.395,83 14.176,84 58.695,85 20.651,86 0.479,87 1.52,88 34.485,89 12.108,90 67.046,91 17.262,92 0.353,93 1.409,94 30.729,95 10.975,96 52.551,97 15.534,98 0.377,99 1.388,100 32.05,101 11.004,102 65.801,103 15.699,104 11,105 46,106 0.234,107 0.523,108 0.735,109 0.86,110 0.865,111 0.865,112 3.471,113 1.009,114 -5.49,115 -5.37,116 -5.01,121 40.3,123 7,124 1,127 4,144 7,145 3,146 2,159 1,168 2,176 15,179 1,180 7,185 3,187 16,192 12,197 4,200 13,206 9,211 1,214 11,218 1,219 7,222 1,224 1,227 14,231 2,232 1,237 1,239 12,243 1,244 5,249 1,251 12,256 7,261 2,264 9,269 5,277 7,281 1662,282 21.085,283 21.085,284 21.085,285 21.085,286 21.085,287 19.241,288 28.533,289 12.613,290 21.281,291 16.799,292 16.799,293 16.799,294 16.799,295 16.799,296 13.925,297 34.624,298 6.027,299 17.085,300 4.503,301 2.705,302 1.393,303 0.613,304 0.581,305 0.581,306 4.172,311 1,312 1,313 957,314 3.536,318 306.575,319 112.959,323 170.698,325 2.348,326 30.348,329 0.75,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.89,337 66.5,338 441,339 4.331,340 3.78,341 6.248,342 3.97,343 2.972,344 3.977,345 2.612,346 9.413,347 2.971,348 4.28,349 3.606,350 5.983,351 3.818,352 2.844,353 3.973,354 1.277,355 8.53,356 2.771,357 3.896,358 3.035,359 5.898,360 3.651,361 2.668,362 3.236,363 0.916,364 8.152,365 2.642,366 3.797,367 3.016,368 5.573,369 3.56,370 2.568,371 3.192,372 0.4,373 7.567,374 2.528,375 3.564,376 2.573,377 5.296,378 3.313,379 2.329,380 2.622,381 0.172,382 6.798,383 2.283,384 3.164,385 2.254,386 4.918,387 2.948,388 1.988,389 2.231,391 5.696,392 1.899,393 2.948,394 1.996,395 4.469,396 2.649,397 1.685,398 2.083,400 4.509,401 1.646,402 2.898,403 1.928,404 4.168,405 2.647,406 1.645,407 1.978,409 3.8,410 1.622,411 2.832,412 1.813,413 3.764,414 2.405,415 1.394,416 1.872,418 3.252,419 1.406,420 2.609,421 1.584,422 3.716,423 2.32,424 1.321,425 1.609,427 3.011,428 1.318,429 2.586,430 1.189,431 3.436,432 2,433 1,434 1.584,436 2.323,437 1,438 2.072,439 1.088,440 3.414,441 1.984,442 1,443 1.014,445 2.275,446 0.983,447 2,448 1.077,449 3.272,450 1.852,451 0.869,452 1,454 1.963,455 0.853,456 1.754,457 1,458 3.116,459 1.585,460 0.563,461 0.631,463 1.313,464 0.572,465 1.218,466 0.95,467 2.837,468 1.038,469 0.056,470 0.062,472 0.143,473 0.055,474 14.7,475 0.474,476 0.677,477 0.022,478 36.25,479 1.169,480 17,481 0.548,482 19.25,483 0.621,484 29.75,485 0.96,486 34.5,487 0.556,488 25.843,489 0.834,490 6.515,491 0.21,492 8.565,493 0.276,494 0.068,496 0.293,501 0.436,502 1.24,503 0.848,504 1.104,505 0.45,506 1.044,507 0.609,508 1.181,509 0.968,510 1.119,511 0.379,512 1.087,513 0.69,514 1.127,515 0.962,516 1.105,517 0.529,518 1.071,519 0.895,520 1.046,521 1.03,522 1.067,523 0.846,524 1.067,525 0.711,526 0.881,527 0.86,528 0.937,529 0.731,530 0.922,531 1.104,532 0.938,533 1.052,534 0.978,535 1.262,536 1.01,537 1.13,538 1.06,539 1.106,540 1.098,541 1.235,542 1.102,543 1.291,544 1.024,545 1.136,546 1.041,547 1.389,548 1.07,549 6,550 0.114,551 3.111,552 1.438,553 1.468,554 0.927,555 0.531,556 0.354,557 0.244,558 0.185,559 15527,560 37388,561 2.104,562 50,563 7,564 15,567 1,568 2,569 6,572 1.728,573 2,574 3.791,575 -0.393,582 89.974,583 1.451,584 3.249,585 4.561,586 5.341,587 5.374,588 5.374,589 3.244,590 4.632,591 4.928,592 3.999,593 1859.36,594 8.559,595 28605,600 369.16,601 1.277,602 4.899,603 0.176,604 0.005,605 0.068,606 0.029,607 0.038,608 0.025,609 0.016,610 0.011,611 0.009,612 0.008,613 0.385,614 0.17,615 0.88,616 0.646,617 166.012,618 0.192,619 0.011,620 0.062,621 0.039,622 0.043,623 0.026,624 0.073,625 -0.035,626 -0.037,627 -0.048,628 0.17,629 -0.052,630 -0.012,631 -0.088,632 -0.021,633 -0.079,634 0.056,635 -0.053,636 -0.053,637 -0.088,638 -0.062,639 -0.084,640 -0.023,641 -0.075,642 0.076,643 0.056,644 0.107,645 0.04,646 0.027,647 0.073,648 -0.025,649 0.016,650 -0.059,651 0.004,652 -0.115,653 -0.03,654 -0.063,655 -0.07,656 -0.119,657 -0.101,658 -0.113,659 -0.116,660 -0.15,661 -0.082,662 -0.136,663 -0.07,664 -0.159,665 -0.098,666 2.34,667 5.758,668 0.742,669 36.092,670 0.994,671 1.128,672 4.262,673 18.166,674 0.646,675 3.555,676 3.85,677 4.078,678 4.277,679 4.522,680 4.564,681 4.615,682 4.654,683 4.754,684 4.844,685 8.521,686 0.606,687 421.59,688 3.555,689 5.081,690 5.911,691 6.763,692 7.606,693 8.46,694 9.308,695 10.162,696 11.013,697 11.867,698 4.8,701 1,703 1,709 1,715 7,720 5,722 12,727 1,734 1,735 1,741 62,743 15,744 2,745 34,747 65,748 25,749 12,750 5,751 7,752 1,756 4,757 5,767 5,768 1,770 7,772 13,773 12,774 1,777 3,779 1,782 3,786 1,793 31,794 5,795 1,796 6,802 3,808 0.75,809 3,829 3,830 1,834 1,855 1,859 3,868 31,876 11,877 1,880 1,881 1,893 4.8,896 1,899 2,901 15.5,902 10.817,903 6.833,904 4.146,907 2.289,908 1.292,909 0.972,910 7.238,911 10.136,912 3.784,913 4.304,914 4.766,915 5.22,916 5.721,917 5.833,918 6.05,919 5.96,920 6.122,921 6.281,922 1,923 49,924 11.563,926 4.952,927 0.026,929 7.737,931 22.625,933 19.214,936 2.237,937 69.333,940 1,941 353.133,942 112.702,943 26.805,945 75.892,948 112.702,949 429.025,950 26.805,951 5.67,952 26.165,953 66.334,954 48.289,955 18.195,957 353.133,958 50.747,959 353.133,960 139.507,961 75.892,964 282.506,965 95.772,966 50.747,968 29.289,969 86.537,970 23.681,972 353.133,973 102.697,974 112.702,977 353.133,978 46.368,979 75.128,980 18.011,981 75.892,982 353.133,983 102.697,984 112.702,986 0.577,987 0.329,988 0.169,989 0.097,990 21,991 9,992 0.108,993 7,994 1,995 1.087,996 4.407,997 264.761,998 0.087,999 23,1000 145.58,1005 21.828,1006 10.28,1007 5.856,1009 97.027,1010 13.067,1015 4.429,1017 18.011,1018 568.532,1019 43,1021 -0.34,1024 34.688,1028 0.243,1031 61.658,1032 69.936,1034 0.244,1035 0.546,1036 0.766,1037 0.897,1038 0.902,1039 0.902,1040 5.017,1041 1.645,1042 5.872,1043 4.509,1044 4.533,1045 4.99,1046 2.85,1047 6.619,1048 4.503,1049 6.181,1050 1.394,1051 7.392,1052 3.8,1053 4.007,1054 4.758,1055 2.396,1056 7.372,1057 3.966,1058 7.463,1059 1.321,1060 9.007,1061 3.252,1062 6.071,1063 7.074,1064 4.249,1065 10.414,1066 6.012,1067 8.776,1068 1,1069 10.678,1070 3.011,1071 6.347,1072 7.664,1073 4.512,1074 11.968,1075 6.283,1076 10.121,1077 1,1078 12.384,1079 2.323,1080 7.857,1081 9.47,1082 5.972,1083 14.492,1084 7.776,1085 11.487,1086 0.869,1087 14.113,1088 2.275,1089 8.517,1090 10.436,1091 6.557,1092 16.387,1093 8.434,1094 12.87,1095 0.563,1096 15.859,1097 1.963,1098 9.78,1099 12.03,1100 7.8,1101 18.716,1102 9.684,1103 2.972,1104 0.056,1105 17.616,1106 1.313,1107 10.635,1108 13.183,1109 8.548,1110 20.77,1111 10.536,1112 2.844,1113 9.413,1114 19.382,1115 0.143,1116 11.784,1117 14.675,1118 9.671,1119 23.021,1120 11.674,1121 2.668,1122 8.53,1123 21.155,1124 3.977,1125 12.738,1126 15.926,1127 10.509,1128 25.153,1129 12.626,1130 2.568,1131 8.152,1132 22.933,1133 3.973,1134 13.835,1135 17.366,1136 11.564,1137 27.376,1138 13.715,1139 2.329,1140 7.567,1141 24.716,1142 3.236,1143 14.84,1144 18.672,1145 12.452,1146 29.548,1147 14.717,1148 1.988,1149 6.798,1150 26.503,1151 3.192,1152 15.915,1153 20.085,1154 13.468,1155 31.762,1156 15.787,1157 1.685,1158 5.696,1159 28.293,1160 2.622,1161 16.948,1162 21.421,1163 14.386,1164 33.956,1165 16.817,1166 14600,1167 22871,1168 23.057,1169 40.04,1170 50.049,1171 52.336,1172 51.039,1173 49.833,1174 49.804,1175 62.132,1176 10.757,1177 137.488,1178 49.097,1179 5.331,1180 5.78,1181 6.004,1182 5.005,1183 4.972,1184 6.977,1185 4.612,1186 15.785,1187 4.971,1188 13.24,1189 1.472,1190 1.539,1191 1.501,1192 1.466,1193 1.465,1194 1.827,1195 0.316,1196 4.044,1197 1.444,1198 4.038,1199 4.075,1200 3.979,1201 3.946,1202 7.815,1203 3.946,1204 3.982,1205 4.012,1206 3.931,1207 3.88,1208 7.427,1209 3.885,1210 3.857,1211 3.911,1212 3.744,1213 3.729,1214 6.999,1215 3.722,1216 3.649,1217 3.7,1218 3.538,1219 3.509,1220 4.729,1221 3.503,1222 3.525,1223 3.567,1224 3.461,1225 3.306,1226 4.692,1227 3.307,1228 3.423,1229 3.472,1230 3.291,1231 3.121,1232 4.313,1233 3.175,1234 3.223,1235 3.309,1236 3.071,1237 3.018,1238 4.152,1239 3.025,1240 3.16,1241 3.226,1242 3.011,1243 2.941,1244 3.895,1245 2.956,1246 0.127,1247 0.111,1248 0.184,1249 0.117,1250 0.087,1251 4.331,1252 0.117,1253 3.78,1254 0.077,1255 6.248,1256 0.277,1257 3.97,1258 0.087,1259 2.972,1260 3.977,1261 2.612,1262 9.413,1263 2.971,1264 1.959,1265 1.931,1266 2.106,1267 2.106,1268 1.485,1269 2.098,1270 1.939,1271 1.913,1272 2.043,1273 2.046,1274 1.313,1275 2.042,1276 1.84,1277 1.791,1278 2.004,1279 1.995,1280 1.191,1281 1.996,1282 1.671,1283 1.605,1284 1.921,1285 1.855,1286 1.153,1287 1.884,1288 1.507,1289 1.451,1290 1.736,1291 1.739,1292 1.008,1293 1.727,1294 1.291,1295 1.245,1296 1.513,1297 1.644,1298 0.825,1299 1.578,1300 1.189,1301 1.131,1302 1.511,1303 1.446,1304 0.738,1305 1.457,1306 1.153,1307 1.064,1308 1.438,1309 1.376,1310 0.659,1311 1.429,1312 4.234,1314 5.533,1316 7.015,1317 2.708,1318 8.577,1319 5.094,1320 10.182,1328 10.852,1329 3.465,1332 0.573,1333 2.357,1340 37.584,1341 89.974,1342 201.451,1343 282.78,1344 331.16,1345 333.16,1346 333.16,1347 63.544,1348 7.847,1349 78.16,1350 78.16,1351 25,1352 12.422,1353 4,1354 3.322,1355 49.93,1356 162,1357 131,1358 0.148,1359 229.958,1360 408.07,1361 552.857,1362 33469,1364 21.631,1365 0.698,1366 0.581,1367 21.631,1368 18.016,1369 15.081,1370 0.444,1371 0.336,1372 11.33,1373 14.591,1374 11.114,1375 9.176,1376 15.081,1377 11.44,1378 13.445,1379 0.292,1380 0.193,1381 13.445,1382 8.864,1383 11.064,1384 0.191,1385 0.114,1386 11.064,1387 6.635,1388 8.717,1389 0.123,1390 0.067,1391 8.717,1392 4.735,1393 7.366,1394 0.081,1395 0.039,1396 7.366,1397 3.573,1398 0.243,1399 94.026,1400 0.208,1401 30.012,1402 0.376,1403 160,1404 430.83,1405 172.083,1406 416.606,1407 555.75,1408 386,1409 184,1410 401.804,1411 196.309,1412 403.415,1413 580.64,1414 379,1415 6.409}
{0 CHEMBL307908,1 1.222,2 15.256,3 9.433,4 88.974,5 165.008,6 6.275,7 0.5,8 4.478,9 4.617,10 3.913,11 4.068,12 5.347,13 3.999,14 5.08,15 5.281,16 4.247,17 4.501,18 5.869,19 4.391,20 5.439,21 5.703,22 4.425,23 4.705,24 6.16,25 4.574,26 5.476,27 5.74,28 4.346,29 4.695,30 6.209,31 4.546,32 5.453,33 5.719,34 4.282,35 4.685,36 6.155,37 4.529,38 5.477,39 5.74,40 4.16,41 4.707,42 6.133,43 4.514,44 5.534,45 5.831,46 4.001,47 4.662,48 6.112,49 4.427,50 5.439,51 5.764,52 3.771,53 4.481,54 5.966,55 4.224,56 0.1,57 1.183,58 20.026,59 8.385,60 11.715,61 12.093,62 0.198,63 2.027,64 36.547,65 14.776,66 22.289,67 21.593,68 0.332,69 2.736,70 52.318,71 19.889,72 36.353,73 29.666,74 0.452,75 2.857,76 54.786,77 19.763,78 42.301,79 29.826,80 0.395,81 2.755,82 53.271,83 19.593,84 37.914,85 29.442,86 0.324,87 2.75,88 53.849,89 21.822,90 33.945,91 31.891,92 0.3,93 2.751,94 56.345,95 23.575,96 34.396,97 34.241,98 0.316,99 2.421,100 51.149,101 20.992,102 32.234,103 30.644,105 59,106 0.184,107 0.444,108 0.58,109 0.705,110 0.754,111 0.754,112 3.692,113 1.068,114 -6.38,115 -6.21,116 -5.77,121 42.2,123 15,127 2,144 8,145 4,146 2,148 4,176 22,180 8,185 6,187 23,192 8,197 6,200 20,206 6,209 2,211 10,214 17,224 8,227 26,232 2,237 2,239 32,244 2,251 30,256 2,260 1,264 22,269 2,277 18,281 2828,282 27.639,283 27.639,284 27.639,285 27.639,286 27.639,287 25.064,288 23.565,289 17.146,290 27.862,291 21.856,292 21.856,293 21.856,294 21.856,295 21.856,296 17.808,297 24.816,298 8.239,299 22.239,300 5.153,301 3.434,302 2.527,303 1.701,304 1.373,305 1.373,306 4.42,313 1342,314 3.742,318 358.705,319 207.215,322 305.025,323 336.663,325 2.043,326 16.332,329 0.5,330 0.33,331 0.5,332 0.8,333 0.5,334 0.67,335 1,336 0.61,337 80,338 595,339 4.639,340 3.357,341 6.829,342 4.204,343 3.224,344 4.563,345 0.4,346 11.347,347 3.159,348 4.639,349 3.357,350 6.829,351 4.204,352 3.224,353 4.563,354 0.4,355 11.347,356 3.159,357 3.909,358 2.661,359 5.981,360 3.517,361 2.524,362 3.434,364 8.363,365 2.504,366 3.909,367 2.661,368 5.981,369 3.517,370 2.524,371 3.434,373 8.363,374 2.504,375 3.524,376 2.365,377 5.382,378 3.145,379 2.19,380 2.894,382 6.714,383 2.09,384 3.523,385 2.362,386 5.382,387 3.138,388 2.184,389 2.893,391 6.714,392 2.082,393 2.944,394 1.932,395 4.143,396 2.868,397 1.874,398 2.142,400 3.848,401 1.861,402 2.94,403 1.806,404 4.142,405 2.631,406 1.643,407 2.141,409 3.571,410 1.623,411 2.893,412 1.687,413 4.005,414 2.625,415 1.632,416 1.905,418 3.481,419 1.62,420 2.684,421 1.619,422 3.964,423 2.565,424 1.581,425 1.718,427 3.451,428 1.552,429 2.651,430 1.569,431 3.822,432 2.418,433 1.423,434 1.673,436 3.422,437 1.415,438 2.628,439 1.499,440 3.715,441 2.408,442 1.411,443 1.637,445 3.277,446 1.406,447 2.613,448 1.419,449 3.682,450 2.345,451 1.353,452 1.634,454 3.069,455 1.342,456 2.575,457 1.416,458 3.62,459 2.339,460 1.345,461 1.582,463 3.007,464 1.336,465 2.32,466 1.332,467 3.58,468 2.191,469 1.224,470 1.314,472 2.749,473 1.181,474 19.1,475 0.49,476 0.548,477 0.014,478 45,479 1.154,480 21,481 0.538,482 24,483 0.615,484 44.797,485 1.149,486 42.1,487 0.507,488 29.771,489 0.763,490 7.34,491 0.188,492 12.042,493 0.309,496 0.262,501 0.996,502 1.217,503 0.973,504 1.081,505 0.819,506 1.035,507 1.007,508 1.262,509 1.044,510 1.151,511 0.844,512 1.108,513 1.082,514 1.031,515 0.852,516 0.891,517 0.899,518 0.863,519 1.479,520 1.092,521 1.096,522 1.024,523 1.247,524 1.034,525 1.597,526 0.97,527 1.12,528 0.964,529 1.391,530 1.004,531 1.124,532 1.073,533 1.216,534 1.167,535 1.175,536 1.192,537 0.703,538 1.014,539 1.059,540 1.104,541 0.924,542 1.103,543 0.651,544 0.868,545 0.941,546 0.961,547 0.8,548 0.967,549 3.5,550 0.089,551 3.333,552 2.5,553 2.116,554 0.889,555 0.449,556 0.253,557 0.169,558 0.132,559 30990,560 54032,561 2.219,562 53,563 22,564 12,567 2,568 4,569 4,572 1.786,573 2.187,574 3.762,575 0.009,582 101.388,583 1.222,584 2.941,585 3.848,586 4.674,587 5.002,588 5.002,589 2.959,590 4.208,591 5.269,592 4.067,593 3013.68,594 9.236,595 57001.7,600 529.128,601 0.821,602 5.26,603 0.08,604 0.003,605 0.056,606 0.036,607 0.035,608 0.015,609 0.009,610 0.006,611 0.005,612 0.004,613 0.25,614 0.33,615 0.63,617 224.096,618 0.029,619 -0.018,620 0.068,621 0.036,622 0.154,623 0.051,624 0.026,625 -0.155,626 -0.025,627 -0.094,628 0.127,629 -0.068,630 0.091,631 0.001,632 0.157,633 0.098,634 0.177,635 0.126,636 -0.014,637 -0.03,638 -0.069,639 -0.061,640 -0.011,641 -0.067,642 -0.218,643 0.082,644 -0.1,645 0.005,646 -0.229,647 -0.032,648 -0.2,649 -0.067,650 -0.229,651 -0.16,652 -0.262,653 -0.19,654 -0.039,655 -0.089,656 -0.102,657 -0.107,658 -0.123,659 -0.108,660 0.056,661 0.021,662 0.011,663 0.007,664 -0.015,665 0.006,666 0.521,667 2.04,668 0.769,669 40.139,670 0.977,671 1.124,672 5.148,673 26.507,674 0.654,675 3.807,676 4.094,677 4.419,678 4.736,679 5.03,680 5.17,681 5.252,682 5.357,683 5.425,684 5.375,685 9.807,686 0.598,687 520.83,688 3.807,689 5.333,690 6.192,691 7.069,692 7.952,693 8.843,694 9.736,695 10.634,696 11.532,697 12.433,698 4.8,703 2,708 2,714 4,715 8,716 2,720 6,722 22,734 2,741 83,743 22,744 2,745 44,747 88,748 35,749 18,750 4,751 8,756 6,757 12,767 10,770 15,772 18,773 17,793 44,794 4,795 2,796 4,802 4,808 0.333,822 2,829 4,830 2,833 2,834 2,859 2,868 39,876 17,877 2,901 17.833,902 14.567,903 8.722,904 6.075,907 4.683,908 1.517,909 1.021,910 8.828,911 13.736,912 4.025,913 4.615,914 5.268,915 5.914,916 6.539,917 6.89,918 7.258,919 7.602,920 7.901,921 7.776,922 1,923 70,924 14.544,926 6.154,927 0.026,929 7.274,931 29.703,933 25.655,936 1.774,937 69.167,941 494.386,942 144.872,943 69.593,948 144.872,949 494.386,950 69.593,952 42.229,953 75.81,954 69.593,955 26.832,957 494.386,959 494.386,960 214.464,964 447.302,965 47.084,968 52.031,969 92.841,970 69.593,972 494.386,973 69.593,974 144.872,977 494.386,978 69.062,979 75.81,980 36.022,981 33.571,982 494.386,983 69.593,984 144.872,986 0.561,987 0.334,988 0.201,989 0.119,990 28,991 10,992 0.114,993 10,994 4,995 1.267,996 5.115,997 382.695,998 0.267,999 30,1000 168.131,1005 26.419,1006 13.032,1007 6.183,1008 4.885,1009 69.593,1010 17.366,1011 10.08,1015 8.369,1017 36.022,1018 708.851,1019 55,1031 81.079,1032 93.297,1034 0.192,1035 0.461,1036 0.604,1037 0.733,1038 0.785,1039 0.785,1040 5.25,1041 1.643,1042 6.133,1043 3.848,1044 4.779,1045 5.303,1046 0.495,1047 6.944,1048 4.742,1049 6.419,1050 1.632,1051 7.675,1052 3.571,1053 4.111,1054 5.094,1056 7.861,1057 4.05,1058 7.718,1059 1.581,1060 9.331,1061 3.481,1062 6.34,1063 7.563,1064 0.097,1065 11.051,1066 6.265,1067 9.065,1068 1.423,1069 11.063,1070 3.451,1071 6.635,1072 8.307,1074 12.888,1075 6.534,1076 10.457,1077 1.411,1078 12.846,1079 3.422,1080 8.223,1081 10.198,1082 0.016,1083 15.567,1084 8.108,1085 11.881,1086 1.353,1087 14.662,1088 3.277,1089 8.995,1090 11.368,1092 17.753,1093 8.856,1094 13.329,1095 1.345,1096 16.501,1097 3.069,1098 10.319,1099 13.035,1100 0.003,1101 20.268,1102 10.164,1103 3.224,1104 1.224,1105 18.356,1106 3.007,1107 11.315,1108 14.396,1110 22.594,1111 11.137,1112 3.224,1113 11.347,1114 20.224,1115 2.749,1116 12.536,1117 15.972,1119 25.053,1120 12.34,1121 2.524,1122 11.347,1123 22.1,1124 4.563,1125 13.63,1126 17.42,1128 27.436,1129 13.412,1130 2.524,1131 8.363,1132 23.984,1133 4.563,1134 14.814,1135 18.96,1137 29.875,1138 14.576,1139 2.19,1140 8.363,1141 25.873,1142 3.434,1143 15.951,1144 20.445,1146 32.284,1147 15.691,1148 2.184,1149 6.714,1150 27.766,1151 3.434,1152 17.122,1153 21.971,1155 34.716,1156 16.843,1157 1.874,1158 6.714,1159 29.664,1160 2.894,1161 18.277,1162 23.475,1164 37.135,1165 17.976,1166 27910,1167 37020,1168 31.087,1169 54.251,1170 63.652,1171 64.146,1172 65.075,1173 63.711,1174 63.735,1175 80.767,1176 1.6,1177 177.038,1178 62.565,1179 5.605,1180 5.357,1181 6.737,1182 5.249,1183 5.224,1184 7.563,1185 0.8,1186 18.879,1187 5.159,1189 1.447,1190 1.458,1191 1.479,1192 1.448,1193 1.449,1194 1.836,1195 0.036,1196 4.024,1197 1.422,1198 4.134,1199 4.167,1200 4.091,1201 4.059,1202 4.988,1203 4.063,1204 4.084,1205 4.113,1206 4.048,1207 4.014,1208 4.953,1209 4.019,1210 3.769,1211 3.833,1212 3.633,1213 3.667,1214 4.411,1215 3.652,1216 3.747,1217 3.801,1218 3.623,1219 3.658,1220 4.406,1221 3.643,1222 3.746,1223 3.797,1224 3.597,1225 3.635,1226 4.281,1227 3.617,1228 3.568,1229 3.647,1230 3.412,1231 3.402,1232 4.224,1233 3.393,1234 3.397,1235 3.464,1236 3.269,1237 3.269,1238 4.044,1239 3.261,1240 3.32,1241 3.378,1242 3.187,1243 3.211,1244 4.025,1245 3.197,1246 0.105,1247 0.076,1248 0.155,1249 0.096,1250 0.073,1251 4.639,1252 0.104,1253 3.357,1254 0.009,1255 6.829,1256 0.258,1257 4.204,1258 0.072,1259 3.224,1260 4.563,1261 0.4,1262 11.347,1263 3.159,1264 2.053,1265 2.029,1266 2.127,1267 2.141,1268 1.397,1269 2.138,1270 2.052,1271 2.029,1272 2.123,1273 2.139,1274 1.336,1275 2.136,1276 1.779,1277 1.716,1278 2.024,1279 1.941,1280 1.327,1281 1.973,1282 1.705,1283 1.642,1284 1.964,1285 1.866,1286 1.311,1287 1.904,1288 1.704,1289 1.641,1290 1.964,1291 1.864,1292 1.302,1293 1.902,1294 1.625,1295 1.582,1296 1.835,1297 1.776,1298 1.137,1299 1.8,1300 1.612,1301 1.572,1302 1.797,1303 1.727,1304 1.021,1305 1.753,1306 1.538,1307 1.465,1308 1.786,1309 1.708,1310 1.02,1311 1.738,1312 4.489,1314 5.784,1316 7.284,1317 3.367,1318 8.9,1319 5.784,1320 10.587,1328 20.747,1329 7.72,1340 49.622,1341 101.388,1342 244.101,1343 319.411,1344 387.909,1345 415.128,1346 415.128,1347 55.738,1348 9.053,1349 49.84,1350 49.84,1351 38,1352 12.955,1353 4.524,1354 3.585,1355 55.738,1356 244,1357 140,1358 0.109,1359 300.045,1360 513.9,1361 723.87,1362 171362,1364 26.28,1365 0.674,1366 0.603,1367 26.28,1368 23.534,1369 19.382,1370 0.441,1371 0.356,1372 15.6,1373 19.124,1374 15.304,1375 12.691,1376 19.382,1377 15.67,1378 16.392,1379 0.278,1380 0.197,1381 16.392,1382 11.601,1383 14.357,1384 0.175,1385 0.107,1386 14.357,1387 8.796,1388 12.637,1389 0.112,1390 0.059,1391 12.637,1392 6.71,1393 11.024,1394 0.073,1395 0.034,1396 11.024,1397 5.121,1398 0.181,1399 118.018,1400 0.179,1401 36.038,1402 0.275,1403 206,1404 393.956,1405 213.549,1406 399.339,1407 582.32,1408 382,1409 244,1410 455.014,1411 252.659,1412 465.434,1413 691.78,1414 446,1415 8.569}
{0 CHEMBL308043,1 1.487,2 7.857,3 2.556,4 6.535,5 83.293,6 6.578,7 0.261,8 3.873,9 4.008,10 3.347,11 3.323,12 4.861,13 3.297,14 4.48,15 4.702,16 3.779,17 3.774,18 5.414,19 3.737,20 4.69,21 4.866,22 3.885,23 4.013,24 5.643,25 3.936,26 4.979,27 5.242,28 3.728,29 4.051,30 5.849,31 3.922,32 4.788,33 5.037,34 3.513,35 3.919,36 5.644,37 3.746,38 4.754,39 5.069,40 3.259,41 3.668,42 5.494,43 3.476,44 4.337,45 4.607,46 3.143,47 3.329,48 5.233,49 3.202,50 4.123,51 4.355,52 3.061,53 3.141,54 5.207,55 3.078,56 0.017,57 0.649,58 10.657,59 3.845,60 7.737,61 5.765,62 0.448,63 1.058,64 20.792,65 6.152,66 28.913,67 9.64,68 0.111,69 1.314,70 24.689,71 9.049,72 23.297,73 13.244,74 0.512,75 1.442,76 34.589,77 10.303,78 55.313,79 15.799,80 0.22,81 1.229,82 27.535,83 10.03,84 32.825,85 14.847,86 0.367,87 0.993,88 27.478,89 8.716,90 38.896,91 13.277,92 0.259,93 0.707,94 18.117,95 5.563,96 25.416,97 8.391,98 0.337,99 0.597,100 15.053,101 3.71,102 34.063,103 5.767,104 40,105 36,106 0.263,107 0.541,108 0.721,109 0.79,110 0.823,111 0.823,112 3.105,113 0.954,114 -3.35,115 -3.33,116 -3.19,121 36.4,122 1,123 1,125 1,126 4,127 1,130 1,144 3,145 1,146 2,161 1,176 5,179 4,180 7,187 6,192 8,200 5,206 7,214 3,218 1,219 7,227 2,231 1,232 2,243 2,244 4,255 2,281 500,282 13.463,283 13.463,284 13.463,285 13.463,286 13.463,287 12.672,288 22.263,289 7.397,290 13.876,291 11.257,292 11.257,293 11.257,294 11.257,295 11.257,296 9.906,297 30.485,298 3.437,299 11.894,300 3.973,301 2.408,302 1.393,303 1.001,304 0.813,305 0.813,306 3.77,310 1,311 1,312 1,313 349,314 3.606,317 72.847,318 42.254,320 58.895,321 63.807,324 88.842,325 1.224,326 16.149,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 45.5,338 165,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.208,346 15.306,347 3.657,348 4.019,349 3.76,350 6.212,351 3.692,352 2.758,353 3.335,354 0.966,355 8.837,356 2.58,357 3.794,358 2.829,359 6.169,360 3.508,361 2.552,362 2.999,363 0.693,364 8.466,365 2.416,366 3.512,367 2.743,368 5.805,369 3.35,370 2.416,371 2.684,372 0.655,373 7.763,374 2.248,375 3.348,376 2.524,377 5.214,378 3.08,379 2.146,380 2.442,381 0.13,382 6.295,383 1.998,384 2.622,385 1.981,386 4.752,387 2.44,388 1.503,389 1.636,391 4.425,392 1.404,393 2.524,394 1.744,395 4.216,396 2.13,397 1.137,398 1.531,400 3.06,401 1.128,402 2.306,403 1.171,404 3.731,405 1.996,406 1.041,407 1.202,409 2.419,410 0.975,411 1.782,412 0.926,413 3.519,414 1.685,415 0.717,416 0.752,418 1.775,419 0.691,420 1.229,421 0.685,422 3.087,423 0.854,424 -0.104,425 -0.127,427 -0.267,428 -0.098,429 0.762,430 -0.015,431 2.68,432 0.639,433 -0.303,434 -0.315,436 -0.748,437 -0.284,438 0.667,439 -0.156,440 2.473,441 0.308,442 -0.678,443 -0.832,445 -1.877,446 -0.66,447 0.526,448 -0.587,449 2.427,450 0.083,451 -0.908,452 -1,454 -2,455 -0.893,457 -0.6,458 2.155,459 -0.049,460 -1,461 -1,463 -2.702,464 -0.9,466 -0.793,467 2.117,468 -0.1,469 -1,470 -1.236,472 -2.804,473 -0.946,474 9.867,475 0.47,476 0.83,477 0.04,478 23,479 1.095,480 8.5,481 0.405,482 14.5,483 0.69,484 19.808,485 0.943,486 24.333,487 0.553,488 16.725,489 0.796,490 4.452,491 0.212,492 5.39,493 0.257,494 0.287,495 0.051,496 0.375,501 0.8,502 1.774,503 0.877,504 1.394,505 0.62,506 1.178,507 0.835,508 0.675,509 0.778,510 0.581,511 0.416,512 0.628,513 0.913,514 1.539,515 1.085,516 1.444,517 0.64,518 1.313,519 1.422,520 0.827,521 1.146,522 0.854,523 1.272,524 0.942,525 0.666,526 1.281,527 1.118,528 1.397,529 0.798,530 1.341,531 0.884,532 0.776,533 0.793,534 0.822,535 0.766,536 0.81,537 1.079,538 1.033,539 0.895,540 1.023,541 1.115,542 0.961,543 2.04,544 0.901,545 1.248,546 0.817,547 2.836,548 0.911,549 6,551 4,552 3.146,553 1.406,554 0.701,555 0.492,556 0.387,557 0.242,558 0.089,559 3716,560 8369,561 1.979,562 52.3,563 3,564 17,565 1,569 2,572 1.635,573 1.762,574 2.939,575 -0.75,576 1,577 1,579 1,582 65.418,583 1.487,584 3.052,585 4.067,586 4.459,587 4.646,588 4.646,589 2.453,590 4.011,591 4.362,592 3.091,593 649.127,594 7.49,595 6591.62,597 1,599 1,600 240.215,601 1.772,602 4.262,603 0.261,605 0.111,606 0.083,607 0.045,608 0.03,609 0.027,610 0.024,611 0.016,612 0.011,613 0.609,614 0.83,615 1,616 1.353,617 92.56,618 0.016,619 -0.446,620 0.091,621 -0.199,622 -0.044,623 -0.068,624 0.222,625 0.521,626 0.239,627 0.416,628 0.214,629 0.353,630 -0.048,631 -0.349,632 -0.125,633 -0.299,634 0.057,635 -0.235,636 -0.241,637 0.153,638 -0.141,639 0.097,640 -0.116,641 0.01,642 0.043,643 -0.279,644 -0.19,645 -0.339,646 -0.036,647 -0.306,648 0.064,649 0.028,650 0.17,651 0.105,652 -0.008,653 0.145,654 0.105,655 -0.137,656 0.104,657 -0.072,658 0.032,659 -0.004,660 -0.201,661 0.095,662 -0.148,663 0.068,664 -0.231,665 -0.027,666 2.008,667 4.721,668 0.571,669 14.658,670 0.995,671 1.138,672 2.118,673 4.487,674 0.626,675 3.178,676 3.611,677 3.951,678 4.277,679 4.489,680 4.585,681 4.779,682 4.86,683 4.796,684 4.727,685 4.791,686 0.585,687 289.42,688 3.178,689 4.779,690 5.68,691 6.624,692 7.553,693 8.505,694 9.448,695 10.405,696 11.355,697 12.316,698 6.8,701 1,704 1,705 1,715 3,720 3,722 6,736 1,737 1,741 44,743 7,744 1,745 23,747 46,748 16,749 6,750 3,751 3,756 3,757 6,763 1,764 1,766 1,767 1,770 1,772 7,773 9,777 1,782 1,786 1,789 1,790 1,793 23,794 5,796 5,802 3,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 5,868 21,876 2,878 1,880 1,881 3,882 1,893 4.5,896 1,898 1,901 11.917,902 9.517,903 4.431,904 2.536,907 1.315,908 1.188,909 0.925,910 3.413,911 8.308,912 3.332,913 3.902,914 4.422,915 4.937,916 5.43,917 5.689,918 6.061,919 6.317,920 6.358,921 6.298,922 1,923 38,924 7.786,926 3.302,927 0.026,929 7.631,931 15.182,933 12.806,936 2.131,937 44.75,938 0.001,941 270.735,942 93.428,943 9.373,945 36.145,948 93.428,949 306.88,950 9.373,951 42.411,952 7.765,953 28.429,954 25.145,955 28.434,956 18.534,957 258.964,959 270.735,960 102.801,961 36.145,964 247.193,965 59.687,968 19.714,969 83.087,972 270.735,973 45.518,974 93.428,977 270.735,978 22.588,979 80.212,981 36.145,982 270.735,983 45.518,984 93.428,986 0.614,987 0.374,988 0.192,989 0.102,990 20,991 10,992 0.043,993 2,994 2,995 1.333,996 3.117,997 172.473,998 0.333,999 12,1000 90.239,1005 14.668,1006 4.887,1007 2.123,1009 45.518,1010 5.971,1015 3.138,1018 409.681,1019 27,1024 11.721,1028 -0.341,1031 43.796,1032 50.066,1034 0.272,1035 0.559,1036 0.745,1037 0.817,1038 0.851,1039 0.851,1040 4.668,1041 1.041,1042 5.765,1043 3.06,1044 4.29,1045 4.585,1046 2.519,1047 6.746,1048 4.193,1049 5.903,1050 0.717,1051 7.448,1052 2.419,1053 4.29,1054 4.62,1055 1.961,1056 8.199,1057 4.165,1058 7.261,1059 -0.104,1060 9.247,1061 1.775,1062 6.098,1063 6.695,1064 3.567,1065 11.366,1066 5.932,1067 8.654,1068 -0.303,1069 11.116,1070 -0.267,1071 6.889,1072 7.477,1073 3.677,1074 13.68,1075 6.715,1076 10.085,1077 -0.678,1078 13.034,1079 -0.748,1080 8.304,1081 9.151,1082 4.963,1083 16.509,1084 8.105,1085 11.542,1086 -0.908,1087 14.988,1088 -1.877,1089 9.415,1090 10.259,1091 5.374,1092 19.115,1093 9.211,1094 13.021,1095 -1,1096 16.971,1097 -2,1098 10.733,1099 11.793,1100 6.459,1101 21.867,1102 10.512,1103 3.737,1104 -1,1105 18.975,1106 -2.702,1107 11.969,1108 13.059,1109 7.029,1110 24.561,1111 11.739,1112 2.758,1113 15.306,1114 20.996,1115 -2.804,1116 13.272,1117 14.537,1118 7.994,1119 27.295,1120 13.026,1121 2.552,1122 8.837,1123 23.031,1124 4.206,1125 14.556,1126 15.883,1127 8.654,1128 30.013,1129 14.296,1130 2.416,1131 8.466,1132 25.076,1133 3.335,1134 15.863,1135 17.337,1136 9.549,1137 32.743,1138 15.585,1139 2.146,1140 7.763,1141 27.129,1142 2.999,1143 17.166,1144 18.725,1145 10.263,1146 35.468,1147 16.871,1148 1.503,1149 6.295,1150 29.189,1151 2.684,1152 18.477,1153 20.169,1154 11.116,1155 38.197,1156 18.164,1157 1.137,1158 4.425,1159 31.253,1160 2.442,1161 19.789,1162 21.579,1163 11.862,1164 40.924,1165 19.456,1166 3782,1167 5760,1168 14.334,1169 27.54,1170 36.459,1171 37.37,1172 38.898,1173 36.051,1174 36.013,1175 41.575,1176 9.303,1177 116.693,1178 34.195,1179 5.797,1180 5.973,1181 7.277,1182 5.785,1183 5.737,1184 7.206,1185 3.912,1186 23.813,1187 5.657,1188 13.434,1189 1.585,1190 1.625,1191 1.691,1192 1.567,1193 1.566,1194 1.808,1195 0.404,1196 5.074,1197 1.487,1198 4.09,1199 4.128,1200 4.037,1201 3.994,1202 7.433,1203 4,1204 3.721,1205 3.764,1206 3.645,1207 3.565,1208 4.833,1209 3.571,1210 3.593,1211 3.664,1212 3.487,1213 3.329,1214 4.45,1215 3.361,1216 3.299,1217 3.392,1218 3.132,1219 3.069,1220 4.233,1221 3.071,1222 3.246,1223 3.341,1224 3.046,1225 3.039,1226 4.069,1227 3.027,1228 2.993,1229 3.093,1230 2.838,1231 2.762,1232 3.898,1233 2.736,1234 2.976,1235 3.016,1236 2.68,1237 2.706,1238 3.822,1239 2.715,1240 2.874,1241 3.009,1242 2.585,1243 2.618,1244 3.497,1245 2.6,1246 0.21,1247 0.173,1248 0.348,1249 0.205,1250 0.162,1251 4.832,1252 0.183,1253 3.973,1254 0.096,1255 8.006,1256 0.665,1257 4.714,1258 0.159,1259 3.737,1260 4.206,1261 2.208,1262 15.306,1263 3.657,1264 1.903,1265 1.884,1266 2.004,1267 1.997,1268 1.31,1269 1.996,1270 1.633,1271 1.578,1272 1.834,1273 1.837,1274 1.058,1275 1.837,1276 1.542,1277 1.464,1278 1.793,1279 1.82,1280 1.013,1281 1.814,1282 1.505,1283 1.425,1284 1.775,1285 1.742,1286 0.834,1287 1.763,1288 1.225,1289 1.132,1290 1.578,1291 1.493,1292 0.643,1293 1.525,1294 1.014,1295 0.899,1296 1.453,1297 1.291,1298 0.563,1299 1.354,1300 0.934,1301 0.838,1302 1.417,1303 1.239,1304 0.469,1305 1.308,1306 0.871,1307 0.804,1308 1.176,1309 1.201,1310 0.347,1311 1.149,1312 3.85,1314 5.252,1315 3.045,1316 6.847,1317 5.638,1318 8.536,1319 7.921,1320 10.285,1322 9.994,1328 2.212,1330 5.411,1332 0.382,1333 6.165,1334 0.097,1340 25.762,1341 65.418,1342 134.267,1343 178.931,1344 196.176,1345 204.441,1346 204.441,1347 31.887,1348 6.993,1349 36.02,1350 36.02,1351 16,1352 12.8,1353 3,1354 2.322,1355 32.127,1356 60,1357 60,1358 0.279,1359 158.734,1360 277.4,1361 379.07,1362 8273,1364 15.361,1365 0.731,1366 0.637,1367 15.361,1368 13.382,1369 9.842,1370 0.428,1371 0.318,1372 7.167,1373 9.343,1374 6.775,1375 5.701,1376 9.842,1377 7.311,1378 9.813,1379 0.273,1380 0.183,1381 9.813,1382 6.574,1383 8.457,1384 0.166,1385 0.096,1386 8.457,1387 4.872,1388 7.033,1389 0.099,1390 0.054,1391 7.033,1392 3.811,1393 5.541,1394 0.063,1395 0.029,1396 5.541,1397 2.57,1398 0.419,1399 62.472,1400 0.264,1401 20.193,1402 0.823,1403 118,1404 310.406,1405 131.053,1406 295.683,1407 407.33,1408 276,1409 146,1410 306.951,1411 160.473,1412 314.339,1413 464.21,1414 289,1415 6.594}
{0 CHEMBL308093,1 1.379,2 13.448,3 5.483,4 30.062,5 118.896,6 6.576,7 0.375,8 4.158,9 4.29,10 3.621,11 3.727,12 5.106,13 3.67,14 4.761,15 4.957,16 3.957,17 4.155,18 5.656,19 4.062,20 5.12,21 5.365,22 4.05,23 4.354,24 5.979,25 4.221,26 5.193,27 5.471,28 3.87,29 4.304,30 5.989,31 4.126,32 5.083,33 5.375,34 3.783,35 4.177,36 5.899,37 4.003,38 4.916,39 5.177,40 3.72,41 4.066,42 5.779,43 3.917,44 4.857,45 5.102,46 3.652,47 3.99,48 5.84,49 3.85,50 4.803,51 5.076,52 3.461,53 3.911,54 5.626,55 3.734,56 0.047,57 0.904,58 13.918,59 6.163,60 5.757,61 8.457,62 0.153,63 1.532,64 26.271,65 10.523,66 18.533,67 14.849,68 0.291,69 2.017,70 38.494,71 14.83,72 43.193,73 20.976,74 0.342,75 2.002,76 41.735,77 15.632,78 49.326,79 22.453,80 0.448,81 1.779,82 37.754,83 14.085,84 52.699,85 20.181,86 0.266,87 1.514,88 31.615,89 12.03,90 36.395,91 16.895,92 0.402,93 1.506,94 30.557,95 11.262,96 56.777,97 15.135,98 0.281,99 1.399,100 28.542,101 10.782,102 44.764,103 14.996,104 5,105 43,106 0.225,107 0.519,108 0.734,109 0.866,110 0.871,111 0.871,112 3.407,113 1.035,114 -5.86,115 -5.72,116 -5.33,121 41.7,123 7,124 1,127 4,144 7,145 3,146 2,159 1,176 15,180 5,185 3,187 16,192 6,197 4,200 13,206 4,211 1,214 11,219 5,222 1,224 1,227 14,232 1,237 1,239 12,243 1,244 3,249 1,251 12,256 2,261 2,264 9,269 2,277 7,281 1369,282 19.878,283 19.878,284 19.878,285 19.878,286 19.878,287 18.286,288 25.207,289 11.97,290 20.08,291 15.831,292 15.831,293 15.831,294 15.831,295 15.831,296 13.355,297 29.212,298 5.756,299 16.16,300 4.528,301 2.728,302 1.406,303 0.6,304 0.567,305 0.567,306 4.11,311 1,312 1,313 854,314 3.082,318 282.373,319 102.763,323 155.279,325 2.226,326 25.297,329 0.75,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.94,337 61.5,338 390,339 4.331,340 3.606,341 6.248,342 3.97,343 2.972,344 3.973,345 1.277,346 9.413,347 2.971,348 4.061,349 3.079,350 5.898,351 3.726,352 2.761,353 3.653,354 0.916,355 8.153,356 2.673,357 3.895,358 3.034,359 5.661,360 3.619,361 2.614,362 3.236,363 0.4,364 7.923,365 2.617,366 3.638,367 2.848,368 5.39,369 3.503,370 2.518,371 2.708,372 0.172,373 7.102,374 2.481,375 3.342,376 2.447,377 5.093,378 3.14,379 2.192,380 2.499,382 6.266,383 2.059,384 3.048,385 2.139,386 4.651,387 2.771,388 1.82,389 2.115,391 5.025,392 1.719,393 2.948,394 1.995,395 4.469,396 2.649,397 1.685,398 2.082,400 4.508,401 1.639,402 2.866,403 1.928,404 4.167,405 2.644,406 1.643,407 1.902,409 3.798,410 1.622,411 2.655,412 1.584,413 3.716,414 2.399,415 1.386,416 1.723,418 3.251,419 1.399,420 2.609,421 1.279,422 3.482,423 2.178,424 1.187,425 1.609,427 2.597,428 1.172,429 2.072,430 1.089,431 3.414,432 1.984,433 1,434 1.014,436 2.275,437 0.983,438 2,439 1.077,440 3.272,441 1.852,442 0.869,443 1,445 1.963,446 0.853,447 1.754,448 0.95,449 3.118,450 1.585,451 0.564,452 0.631,454 1.315,455 0.572,456 1.221,457 0.387,458 2.841,459 1.038,460 0.056,461 0.062,463 0.144,464 0.055,465 1.079,466 0.191,467 2.455,468 0.837,469 -0.15,470 -0.167,472 -0.349,473 -0.147,474 13.919,475 0.48,476 0.588,477 0.02,478 31.75,479 1.095,480 14,481 0.483,482 17.75,483 0.612,484 28.84,485 0.994,486 32.281,487 0.538,488 21.297,489 0.734,490 5.692,491 0.196,492 8.478,493 0.292,494 0.044,496 0.28,499 1,501 0.599,502 1.15,503 0.886,504 1.118,505 0.488,506 1.052,507 0.736,508 1.085,509 1.003,510 1.106,511 0.502,512 1.083,513 0.879,514 1.033,515 1.016,516 1.066,517 0.785,518 1.058,519 0.826,520 0.953,521 1.021,522 1.052,523 0.796,524 1.06,525 0.776,526 0.786,527 0.891,528 0.892,529 0.883,530 0.906,531 0.956,532 0.91,533 0.984,534 1.015,535 1.101,536 1.009,537 1.62,538 1.075,539 1.216,540 1.056,541 1.923,542 1.089,543 1.19,544 1.044,545 1.111,546 1.048,547 1.293,548 1.071,549 5.5,550 0.098,551 2.667,552 1.313,553 1.308,554 0.802,555 0.45,556 0.292,557 0.22,558 0.133,559 13069,560 28356,561 2.132,562 51.7,563 7,564 15,567 1,568 2,569 6,572 1.711,573 2.047,574 3.714,575 -0.439,582 82.737,583 1.379,584 3.178,585 4.501,586 5.307,587 5.34,588 5.34,589 3.142,590 4.651,591 4.831,592 3.915,593 1589.41,594 8.366,595 23073.2,600 354.413,601 1.178,602 4.812,603 0.172,604 0.004,605 0.062,606 0.029,607 0.037,608 0.024,609 0.015,610 0.01,611 0.01,612 0.006,613 0.37,614 0.5,615 0.88,616 0.434,617 151.656,618 -0.003,619 -0.045,620 0.051,621 0.013,622 0.012,623 0.034,624 -0.038,625 -0.054,626 -0.05,627 -0.061,628 0.047,629 -0.055,630 -0.043,631 -0.064,632 -0.05,633 -0.065,634 0.005,635 -0.059,636 -0.034,637 -0.087,638 -0.064,639 -0.088,640 -0.014,641 -0.081,642 0.092,643 0.102,644 0.077,645 0.068,647 0.07,648 -0.036,649 -0.053,650 -0.014,651 -0.038,652 -0.071,653 -0.026,654 -0.123,655 -0.027,656 -0.178,657 -0.068,658 -0.197,659 -0.122,660 -0.103,661 -0.052,662 -0.12,663 -0.066,664 -0.134,665 -0.092,666 1.83,667 5.723,668 0.793,669 32.573,670 0.988,671 1.13,672 4.634,673 21.475,674 0.647,675 3.497,676 3.784,677 4.007,678 4.22,679 4.454,680 4.5,681 4.511,682 4.595,683 4.682,684 4.745,685 8.048,686 0.601,687 394.58,688 3.497,689 5.017,690 5.844,691 6.693,692 7.532,693 8.385,694 9.228,695 10.082,696 10.927,697 11.782,698 3.3,701 1,703 1,715 7,720 5,722 12,727 1,734 1,740 1,741 60,743 13,744 2,745 32,747 63,748 25,749 12,750 5,751 7,752 1,756 4,757 5,767 5,768 1,770 7,772 13,773 12,774 1,777 1,782 1,786 1,791 1,793 31,794 4,795 1,796 4,802 2,808 0.75,809 1,829 3,830 1,834 1,855 1,859 3,866 1,868 29,876 11,877 1,880 1,881 1,892 1,893 1.7,896 1,901 14.167,902 10.426,903 6.389,904 4.065,907 2.051,908 1.267,909 0.988,910 6.74,911 9.73,912 3.689,913 4.19,914 4.659,915 5.118,916 5.596,917 5.676,918 5.784,919 5.856,920 5.985,921 6.127,922 0.889,923 45,924 10.855,926 4.643,927 0.026,929 7.615,931 21.516,933 18.405,936 2.115,937 61.333,941 353.133,942 119.066,943 21.135,945 25.145,946 14.96,948 119.066,949 378.278,950 36.095,952 26.165,953 66.334,954 48.289,955 24.559,956 14.96,957 353.133,959 353.133,960 140.201,961 40.105,964 297.467,965 95.772,968 29.289,969 92.902,970 18.011,972 368.093,973 46.28,974 119.066,977 353.133,978 52.733,979 69.458,980 18.011,981 40.105,982 353.133,983 61.24,984 119.066,986 0.574,987 0.325,988 0.171,989 0.096,990 20,991 8,992 0.095,993 6,994 1,995 1.087,996 4.272,997 242.033,998 0.087,999 23,1000 136.881,1005 20.255,1006 9.649,1007 5.526,1009 61.24,1010 13.087,1015 4.213,1017 18.011,1018 533.439,1019 39,1024 12.723,1028 0.265,1031 59.298,1032 67.774,1034 0.233,1035 0.538,1036 0.762,1037 0.898,1038 0.904,1039 0.904,1040 4.92,1041 1.643,1042 5.796,1043 4.508,1044 4.466,1045 4.875,1046 1.806,1047 6.529,1048 4.429,1049 6.067,1050 1.386,1051 7.303,1052 3.798,1053 3.892,1054 4.527,1055 0.325,1056 7.235,1057 3.832,1058 7.335,1059 1.187,1060 8.904,1061 3.251,1062 5.989,1063 6.912,1064 1.993,1065 10.286,1066 5.924,1067 8.631,1068 1,1069 10.56,1070 2.597,1071 6.217,1072 7.378,1073 0.393,1074 11.806,1075 6.143,1076 9.959,1077 0.869,1078 12.251,1079 2.275,1080 7.751,1081 9.251,1082 2.342,1083 14.337,1084 7.669,1085 11.309,1086 0.564,1087 13.967,1088 1.963,1089 8.376,1090 10.111,1091 0.384,1092 16.215,1093 8.293,1094 12.676,1095 0.056,1096 15.7,1097 1.315,1098 9.654,1099 11.752,1100 2.756,1101 18.549,1102 9.562,1103 2.972,1104 -0.15,1105 17.446,1106 0.144,1107 10.485,1108 12.822,1109 0.351,1110 20.598,1111 10.394,1112 2.761,1113 9.413,1114 19.203,1115 -0.349,1116 11.641,1117 14.343,1118 3.203,1119 22.854,1120 11.544,1121 2.614,1122 8.153,1123 20.968,1124 3.973,1125 12.581,1126 15.53,1127 0.312,1128 24.988,1129 12.485,1130 2.518,1131 7.923,1132 22.739,1133 3.653,1134 13.68,1135 16.985,1136 3.667,1137 27.217,1138 13.58,1139 2.192,1140 7.102,1141 24.517,1142 3.236,1143 14.677,1144 18.242,1145 0.273,1146 29.394,1147 14.578,1148 1.82,1149 6.266,1150 26.299,1151 2.708,1152 15.753,1153 19.658,1154 4.143,1155 31.615,1156 15.651,1157 1.685,1158 5.025,1159 28.086,1160 2.499,1161 16.781,1162 20.958,1163 0.236,1164 33.816,1165 16.681,1166 12184,1167 18071,1168 21.959,1169 38.824,1170 46.754,1171 47.929,1172 47.591,1173 46.64,1174 46.531,1175 56.416,1176 5.533,1177 127.465,1178 45.629,1179 5.331,1180 5.606,1181 6.004,1182 5.005,1183 4.972,1184 6.973,1185 2.555,1186 15.785,1187 4.971,1188 10.166,1189 1.461,1190 1.498,1191 1.487,1192 1.458,1193 1.454,1194 1.763,1195 0.173,1196 3.983,1197 1.426,1198 4.024,1199 4.061,1200 3.957,1201 3.943,1202 8.201,1203 3.942,1204 3.945,1205 3.985,1206 3.879,1207 3.86,1208 7.427,1209 3.859,1210 3.83,1211 3.877,1212 3.719,1213 3.724,1214 4.725,1215 3.714,1216 3.643,1217 3.695,1218 3.523,1219 3.509,1220 4.647,1221 3.502,1222 3.453,1223 3.518,1224 3.308,1225 3.3,1226 4.308,1227 3.293,1228 3.235,1229 3.314,1230 3.103,1231 3.067,1232 4.152,1233 3.064,1234 3.183,1235 3.257,1236 3.021,1237 2.989,1238 3.892,1239 2.983,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.845,1245 2.91,1246 0.135,1247 0.113,1248 0.195,1249 0.124,1250 0.093,1251 4.331,1252 0.124,1253 3.606,1254 0.04,1255 6.248,1256 0.294,1257 3.97,1258 0.093,1259 2.972,1260 3.973,1261 1.277,1262 9.413,1263 2.971,1264 1.954,1265 1.929,1266 2.104,1267 2.075,1268 1.485,1269 2.087,1270 1.922,1271 1.889,1272 2.039,1273 2.023,1274 1.313,1275 2.029,1276 1.829,1277 1.783,1278 1.988,1279 1.947,1280 1.184,1281 1.962,1282 1.671,1283 1.605,1284 1.921,1285 1.854,1286 1.142,1287 1.883,1288 1.502,1289 1.446,1290 1.733,1291 1.703,1292 1.001,1293 1.714,1294 1.254,1295 1.19,1296 1.513,1297 1.464,1298 0.825,1299 1.48,1300 1.153,1301 1.064,1302 1.505,1303 1.376,1304 0.732,1305 1.429,1306 1.125,1307 1.051,1308 1.424,1309 1.336,1310 0.647,1311 1.37,1312 4.174,1314 5.468,1316 6.944,1317 2.708,1318 8.502,1319 5.094,1320 10.102,1324 13.358,1328 11.208,1329 3.473,1332 0.613,1333 2.394,1340 36.043,1341 82.737,1342 190.704,1343 270.033,1344 318.413,1345 320.413,1346 320.413,1347 54.624,1348 7.679,1349 32.34,1350 32.34,1351 25,1352 12.338,1353 3.807,1354 3,1355 45.166,1356 143,1357 119,1358 0.152,1359 219.297,1360 388.2,1361 526.844,1362 26909,1363 1.7,1364 20.054,1365 0.692,1366 0.591,1367 19.184,1368 17.13,1369 14.17,1370 0.443,1371 0.345,1372 10.949,1373 13.811,1374 10.73,1375 8.849,1376 13.776,1377 11.04,1378 12.546,1379 0.292,1380 0.199,1381 11.912,1382 8.567,1383 10.343,1384 0.192,1385 0.119,1386 10.023,1387 6.402,1388 8.339,1389 0.124,1390 0.069,1391 7.988,1392 4.602,1393 6.886,1394 0.081,1395 0.041,1396 6.75,1397 3.461,1398 0.249,1399 87.529,1400 0.213,1401 28.383,1402 0.388,1403 150,1404 393.825,1405 159.737,1406 360.551,1407 484.53,1408 338,1409 172,1410 343.773,1411 181.4,1412 345.915,1413 501.9,1414 327,1415 6.839}
{0 CHEMBL308503,1 1.44,2 8.739,3 3.282,4 10.77,5 92.2,6 6.35,7 0.24,8 3.986,9 4.126,10 3.421,11 3.45,12 4.95,13 3.41,14 4.597,15 4.815,16 3.884,17 3.905,18 5.535,19 3.854,20 4.867,21 5.064,22 3.929,23 4.148,24 5.76,25 4.049,26 5.14,27 5.435,28 3.877,29 4.171,30 5.961,31 4.026,32 4.94,33 5.173,34 3.59,35 3.969,36 5.921,37 3.822,38 4.779,39 5.089,40 3.394,41 3.746,42 5.523,43 3.575,44 4.419,45 4.643,46 3.339,47 3.563,48 5.393,49 3.442,50 4.462,51 4.729,52 3.194,53 3.467,54 5.426,55 3.337,56 0.041,57 0.725,58 12.382,59 4.579,60 9.666,61 6.809,62 0.419,63 1.196,64 23.461,65 7.523,66 35.307,67 11.609,68 0.241,69 1.544,70 30.378,71 10.287,72 30.489,73 15.629,74 0.382,75 1.649,76 39.615,77 12.488,78 49.929,79 19.436,80 0.529,81 1.299,82 33.373,83 10.48,84 67.321,85 15.236,86 0.357,87 1.049,88 27.522,89 9.011,90 36.456,91 13.579,92 0.24,93 0.854,94 19.421,95 6.622,96 27.032,97 9.684,98 0.373,99 0.817,100 20.623,101 5.906,102 40.976,103 9.086,104 54,105 40,106 0.248,107 0.546,108 0.724,109 0.794,110 0.794,111 0.794,112 3.189,113 0.983,114 -3.83,115 -3.79,116 -3.6,121 36,122 4,123 1,125 1,126 2,127 1,130 1,132 1,144 3,145 1,146 2,161 1,176 5,179 2,180 7,183 2,185 3,187 9,192 8,200 5,206 11,211 2,214 3,218 1,219 5,224 2,227 2,231 1,232 1,237 1,239 6,243 1,244 2,247 1,249 2,251 6,255 1,259 1,264 3,269 3,277 6,281 635,282 14.358,283 14.358,284 14.358,285 14.358,286 14.358,287 13.542,288 26.378,289 7.868,290 14.728,291 12.304,292 12.304,293 12.304,294 12.304,295 12.304,296 10.954,297 43.989,298 3.71,299 12.898,300 4.204,301 2.471,302 1.441,303 1.031,304 1.031,305 1.031,306 3.854,310 1,311 1,312 1,313 423,314 4.123,317 85.522,318 48.956,320 69.082,321 74.227,324 103.583,325 1.361,326 17.534,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 49.5,338 201,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 4.168,349 3.717,350 6.446,351 4.099,352 3.133,353 3.338,354 0.966,355 10.157,356 3.025,357 3.953,358 3.112,359 6.21,360 3.625,361 2.668,362 3.167,363 0.693,364 8.826,365 2.552,366 3.616,367 2.813,368 6.169,369 3.38,370 2.442,371 2.806,372 0.366,373 8.457,374 2.276,375 3.441,376 2.742,377 5.421,378 3.253,379 2.322,380 2.514,382 7.103,383 2.146,384 3.246,385 2.497,386 4.814,387 2.872,388 1.897,389 2.372,391 5.2,392 1.827,393 2.615,394 1.746,395 4.639,396 2.414,397 1.466,398 1.629,400 4.344,401 1.383,402 2.518,403 1.171,404 4.214,405 2.128,406 1.133,407 1.522,409 3.06,410 1.126,411 1.785,412 0.935,413 3.723,414 1.695,415 0.73,416 0.76,418 1.824,419 0.702,420 1.236,421 0.747,422 3.12,423 0.928,424 0.018,425 0.02,427 0.052,428 0.016,429 0.882,430 0.329,431 3.085,432 0.647,433 -0.293,434 -0.298,436 -0.734,437 -0.274,438 0.762,439 -0.017,440 2.665,441 0.564,442 -0.431,443 -0.508,445 -1.183,446 -0.417,447 0.651,448 -0.255,449 2.471,450 0.306,451 -0.694,452 -0.885,454 -1.88,455 -0.692,456 0.508,457 -0.641,458 2.427,459 0.082,460 -0.909,461 -1,463 -2.714,464 -0.9,466 -0.796,467 2.157,469 -1,470 -1,472 -2.804,473 -0.946,474 10.867,475 0.472,476 1.056,477 0.046,478 23.75,479 1.033,480 8.5,481 0.37,482 15.25,483 0.663,484 24.989,485 1.086,486 26.933,487 0.539,488 16.953,489 0.737,490 4.222,491 0.184,492 6.394,493 0.278,494 0.307,495 0.092,496 0.304,501 0.823,502 1.646,503 0.936,504 1.352,505 0.691,506 1.181,507 0.695,508 0.917,509 0.743,510 0.766,511 0.338,512 0.745,513 1.119,514 1.439,515 1.263,516 1.36,517 0.833,518 1.327,519 0.892,520 0.875,521 0.852,522 0.892,523 0.621,524 0.858,525 1.914,526 1.11,527 1.387,528 1.181,529 2.299,530 1.235,531 0.95,532 0.726,533 0.746,534 0.746,535 0.78,536 0.733,537 1.142,538 1.281,539 1.121,540 1.302,541 1.223,542 1.238,543 1.589,544 0.857,545 1.141,546 0.867,547 2.266,548 0.941,549 8,550 0.11,551 3.778,552 3.771,553 1.326,554 0.868,555 0.594,556 0.351,557 0.389,558 0.229,559 4958,560 10091,561 1.946,562 54,563 3,564 11,565 1,567 1,569 11,572 1.658,573 1.725,574 3.058,575 -0.326,576 1,577 1,582 71.997,583 1.44,584 3.173,585 4.203,586 4.613,587 4.613,588 4.613,589 2.533,590 4.143,591 4.494,592 3.269,593 826.943,594 7.742,595 9135.72,597 1,599 1,600 282.193,601 1.873,602 4.378,603 0.32,604 0.011,605 0.094,606 0.097,607 0.037,608 0.036,609 0.027,610 0.018,611 0.023,612 0.013,613 0.676,614 0.67,615 1,616 1.506,617 106.05,618 0.005,619 -0.297,620 0.075,621 -0.124,622 -0.081,623 -0.032,624 0.311,625 0.28,626 0.282,627 0.286,628 0.308,629 0.284,630 -0.156,631 -0.229,632 -0.257,633 -0.256,634 -0.123,635 -0.267,636 -0.001,637 0.075,638 0.117,639 0.055,640 0.157,641 0.105,642 -0.25,643 -0.156,644 -0.334,645 -0.19,646 -0.323,647 -0.27,648 0.065,649 0.112,650 0.218,651 0.189,652 0.022,653 0.218,654 0.058,655 -0.242,656 -0.112,657 -0.25,658 -0.03,659 -0.218,660 -0.106,661 0.1,662 -0.096,663 0.05,664 -0.201,665 -0.018,666 2.075,667 5,668 0.522,669 17.679,670 0.991,671 1.138,672 2.599,673 6.755,674 0.621,675 3.258,676 3.714,677 3.97,678 4.344,679 4.5,680 4.625,681 4.804,682 4.875,683 4.883,684 4.875,685 5.376,686 0.576,687 317.48,688 3.258,689 4.875,690 5.753,691 6.711,692 7.615,693 8.577,694 9.499,695 10.463,696 11.397,697 12.361,698 6,701 1,704 1,705 1,715 3,720 3,722 6,736 1,737 1,741 50,743 7,744 1,745 25,747 52,748 18,749 6,750 3,751 3,756 3,757 6,763 4,764 1,766 1,767 1,770 1,772 7,773 11,774 1,777 1,782 1,786 1,789 1,790 1,793 27,794 5,795 1,796 5,802 3,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 6,868 23,876 2,877 1,878 1,880 1,881 2,882 2,893 4,896 1,898 1,901 13.333,902 10.817,903 4.694,904 2.961,907 1.301,908 1.182,909 0.907,910 3.885,911 8.448,912 3.401,913 3.98,914 4.422,915 4.993,916 5.43,917 5.704,918 6.072,919 6.323,920 6.409,921 6.437,922 0.833,923 39,924 8.548,926 3.642,927 0.026,929 7.609,931 16.709,933 14.211,936 2.109,937 48.5,940 1,941 306.049,942 103.111,943 24.259,945 36.145,948 103.111,949 342.193,950 24.259,951 52.094,952 22.651,953 28.429,954 25.145,955 28.434,956 18.534,957 294.278,959 306.049,960 127.37,961 36.145,964 176.567,965 165.627,968 61.076,969 66.294,972 306.049,973 60.404,974 103.111,977 306.049,978 22.588,979 86.771,980 18.011,981 36.145,982 306.049,983 60.404,984 103.111,986 0.619,987 0.339,988 0.193,989 0.093,990 22,991 11,992 0.058,993 3,994 2,995 1.333,996 3.287,997 192.814,998 0.333,999 12,1000 99.287,1005 16.593,1006 5.385,1007 2.829,1009 60.404,1010 5.974,1015 3.11,1017 18.011,1018 469.564,1019 29,1024 12,1028 -0.408,1031 49.563,1032 56.896,1034 0.255,1035 0.562,1036 0.745,1037 0.817,1038 0.817,1039 0.817,1040 4.758,1041 1.133,1042 5.872,1043 4.344,1044 4.394,1045 4.663,1046 2.466,1047 6.858,1048 4.309,1049 6.017,1050 0.73,1051 7.555,1052 3.06,1053 4.511,1054 4.783,1055 1.905,1056 8.37,1057 4.409,1058 7.389,1059 0.018,1060 9.354,1061 1.824,1062 6.248,1063 6.776,1064 3.531,1065 11.468,1066 6.099,1067 8.789,1068 -0.293,1069 11.221,1070 0.052,1071 7.083,1072 7.579,1073 3.612,1074 13.775,1075 6.927,1076 10.221,1077 -0.431,1078 13.135,1079 -0.734,1080 8.468,1081 9.216,1082 4.913,1083 16.573,1084 8.281,1085 11.675,1086 -0.694,1087 15.083,1088 -1.183,1089 9.583,1090 10.324,1091 5.293,1092 19.163,1093 9.388,1094 13.148,1095 -0.909,1096 17.057,1097 -1.88,1098 10.883,1099 11.839,1100 6.388,1101 21.9,1102 10.666,1103 3.737,1104 -1,1105 19.052,1106 -2.714,1107 12.108,1108 13.099,1109 6.931,1110 24.584,1111 11.878,1112 3.133,1113 15.306,1114 21.064,1115 -2.804,1116 13.395,1117 14.567,1118 7.902,1119 27.31,1120 13.146,1121 2.668,1122 10.157,1123 23.09,1124 4.206,1125 14.666,1126 15.908,1127 8.539,1128 30.024,1129 14.4,1130 2.442,1131 8.826,1132 25.126,1133 3.338,1134 15.958,1135 17.356,1136 9.436,1137 32.75,1138 15.674,1139 2.322,1140 8.457,1141 27.172,1142 3.167,1143 17.249,1144 18.741,1145 10.13,1146 35.473,1147 16.947,1148 1.897,1149 7.103,1150 29.225,1151 2.806,1152 18.549,1153 20.18,1154 10.981,1155 38.2,1156 18.228,1157 1.466,1158 5.2,1159 31.283,1160 2.514,1161 19.85,1162 21.588,1163 11.71,1164 40.926,1165 19.51,1166 5019,1167 7262,1168 15.315,1169 31.063,1170 39.62,1171 40.524,1172 41.683,1173 39.075,1174 39.093,1175 44.669,1176 8.422,1177 128.658,1178 37.42,1179 5.797,1180 5.973,1181 7.277,1182 5.797,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 15.612,1189 1.585,1190 1.621,1191 1.667,1192 1.563,1193 1.564,1194 1.787,1195 0.337,1196 5.146,1197 1.497,1198 4.091,1199 4.129,1200 4.038,1201 3.994,1202 7.435,1203 4,1204 3.774,1205 3.833,1206 3.677,1207 3.6,1208 4.835,1209 3.604,1210 3.681,1211 3.731,1212 3.572,1213 3.554,1214 4.462,1215 3.551,1216 3.341,1217 3.409,1218 3.233,1219 3.087,1220 4.369,1221 3.106,1222 3.259,1223 3.349,1224 3.078,1225 3.043,1226 4.113,1227 3.034,1228 3.186,1229 3.233,1230 3.021,1231 2.886,1232 3.902,1233 2.934,1234 2.976,1235 3.093,1236 2.682,1237 2.761,1238 3.847,1239 2.725,1240 2.874,1241 3.009,1242 2.6,1243 2.644,1244 3.512,1245 2.623,1246 0.193,1247 0.159,1248 0.32,1249 0.189,1250 0.149,1251 4.832,1252 0.168,1253 3.973,1254 0.087,1255 8.006,1256 0.612,1257 4.714,1258 0.146,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.904,1265 1.885,1266 2.006,1267 2,1268 1.31,1269 1.999,1270 1.729,1271 1.666,1272 1.968,1273 1.92,1274 1.156,1275 1.937,1276 1.632,1277 1.576,1278 1.832,1279 1.836,1280 1.057,1281 1.837,1282 1.533,1283 1.452,1284 1.787,1285 1.751,1286 1.012,1287 1.773,1288 1.237,1289 1.164,1290 1.58,1291 1.525,1292 0.644,1293 1.536,1294 1.044,1295 1.01,1296 1.453,1297 1.391,1298 0.563,1299 1.356,1300 1.014,1301 0.899,1302 1.417,1303 1.291,1304 0.469,1305 1.348,1306 0.934,1307 0.804,1308 1.417,1309 1.239,1310 0.469,1311 1.308,1312 3.932,1314 5.352,1315 3.045,1316 6.942,1317 5.638,1318 8.621,1319 7.921,1320 10.358,1322 12.433,1328 2.198,1329 2.827,1330 5.489,1332 0.371,1333 4.73,1334 -0.224,1340 28.815,1341 71.997,1342 158.641,1343 210.154,1344 230.644,1345 230.644,1346 230.644,1347 40.194,1348 7.147,1349 44.81,1350 44.81,1351 16,1352 12.847,1353 3,1354 2.322,1355 36.9,1356 75,1357 67,1358 0.255,1359 177.918,1360 312,1361 425.88,1362 10321,1364 16.991,1365 0.739,1366 0.649,1367 16.991,1368 14.935,1369 10.616,1370 0.425,1371 0.328,1372 8.07,1373 10.157,1374 7.581,1375 6.409,1376 10.616,1377 8.193,1378 11.462,1379 0.287,1380 0.202,1381 11.462,1382 8.076,1383 8.311,1384 0.16,1385 0.096,1386 8.311,1387 4.989,1388 7.933,1389 0.104,1390 0.053,1391 7.933,1392 4.057,1393 5.552,1394 0.062,1395 0.029,1396 5.552,1397 2.574,1398 0.391,1399 66.751,1400 0.256,1401 22.119,1402 0.727,1403 130,1404 317.094,1405 143.692,1406 305.032,1407 421.35,1408 284,1409 157,1410 321.092,1411 170.475,1412 328.641,1413 483.35,1414 303,1415 4.567}
{0 CHEMBL308793,1 1.272,2 13.821,3 5.067,4 25.678,5 118.461,6 6.276,7 0.387,8 4.15,9 4.285,10 3.584,11 3.723,12 5.046,13 3.656,14 4.755,15 4.961,16 3.918,17 4.149,18 5.561,19 4.049,20 5.063,21 5.311,22 3.945,23 4.317,24 5.836,25 4.168,26 5.135,27 5.404,28 3.814,29 4.301,30 5.874,31 4.115,32 5.103,33 5.399,34 3.716,35 4.205,36 5.809,37 4.008,38 4.949,39 5.221,40 3.652,41 4.082,42 5.766,43 3.907,44 4.832,45 5.098,46 3.513,47 3.99,48 5.619,49 3.806,50 4.741,51 5.019,52 3.422,53 3.9,54 5.458,55 3.712,56 0.063,57 0.835,58 14.399,59 6.1,60 7.732,61 8.693,62 0.18,63 1.442,64 26.655,65 10.164,66 15.771,67 14.94,68 0.254,69 1.815,70 36.006,71 14.008,72 30.822,73 20.348,74 0.266,75 1.855,76 38.449,77 15.317,78 35.156,79 22.028,80 0.247,81 1.738,82 36.998,83 14.722,84 31.265,85 21.255,86 0.311,87 1.49,88 32.181,89 12.5,90 37.513,91 17.787,92 0.275,93 1.341,94 28.52,95 11.278,96 33.411,97 16.052,98 0.167,99 1.238,100 25.735,101 10.372,102 23.831,103 14.932,104 6,105 42,106 0.208,107 0.488,108 0.722,109 0.835,110 0.842,111 0.842,112 3.374,113 1.055,114 -5.49,115 -5.37,116 -5.01,121 41.7,122 1,123 5,124 1,127 5,144 8,145 3,146 1,159 1,176 15,180 9,187 16,192 8,200 12,206 7,214 11,219 5,227 14,231 1,232 1,239 15,243 1,244 2,251 12,256 4,264 8,269 5,277 5,281 1248,282 19.386,283 19.386,284 19.386,285 19.386,286 19.386,287 17.844,288 23.521,289 11.545,290 19.605,291 15.253,292 15.253,293 15.253,294 15.253,295 15.253,296 12.876,297 27.979,298 5.43,299 15.554,300 4.635,301 2.913,302 1.484,303 0.792,304 0.746,305 0.746,306 4.075,311 1,312 1,313 850,314 3.24,317 74.725,318 284.942,321 129.626,325 2.191,326 15.862,329 0.75,330 1,331 1,332 1,333 1,334 1,335 1,336 0.96,337 58,338 387,339 4.405,340 3.609,341 6.548,342 4.078,343 3.103,344 4.02,345 1.277,346 10.344,347 3.038,348 3.98,349 3.29,350 6.003,351 3.733,352 2.745,353 3.457,354 0.916,355 8.502,356 2.725,357 3.94,358 3.017,359 5.616,360 3.664,361 2.68,362 3.307,363 0.8,364 7.786,365 2.617,366 3.598,367 2.557,368 5.33,369 3.454,370 2.456,371 2.636,372 0.172,373 6.944,374 2.451,375 3.2,376 2.328,377 5.088,378 3.036,379 2.081,380 2.276,382 5.892,383 1.977,384 3.101,385 2.222,386 4.953,387 2.88,388 1.913,389 2.187,391 5.754,392 1.84,393 2.899,394 1.862,395 4.198,396 2.53,397 1.525,398 2.018,400 3.856,401 1.531,402 2.817,403 1.52,404 4.152,405 2.416,406 1.421,407 1.906,409 3.5,410 1.413,411 2.595,412 1.493,413 3.592,414 2.27,415 1.275,416 1.59,418 3.037,419 1.265,420 2.5,421 1.088,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2,430 1.077,431 3.247,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.889,439 1,440 3.246,441 1.73,442 0.745,443 0.829,445 1.633,446 0.733,447 1.755,448 0.831,449 3.106,450 1.592,451 0.572,452 0.636,454 1.299,455 0.58,456 1.363,457 0.43,458 2.779,459 1.221,460 0.239,461 0.26,463 0.39,464 0.234,465 1.216,466 0.365,467 2.614,468 1.026,469 0.038,470 0.043,472 0.093,473 0.038,474 13.633,475 0.487,476 0.533,477 0.019,478 31.25,479 1.116,480 14,481 0.5,482 17.25,483 0.616,484 27.491,485 0.982,486 30.767,487 0.513,488 19.94,489 0.712,490 5.629,491 0.201,492 8.095,493 0.289,494 0.061,496 0.279,501 0.714,502 1.347,503 0.952,504 1.158,505 0.539,506 1.084,507 1.089,508 1.123,509 1.054,510 1.029,511 0.587,512 1.024,513 1.113,514 1.058,515 1.08,516 1.053,517 0.89,518 1.057,519 1.076,520 1.073,521 1.085,522 1.098,523 1.157,524 1.096,525 0.881,526 0.932,527 0.905,528 0.957,529 1.021,530 0.938,531 1.388,532 0.936,533 1.022,534 0.974,535 1.889,536 0.98,537 1.306,538 0.99,539 1.096,540 1.035,541 1.749,542 1.058,543 0.898,544 1.039,545 0.996,546 1.052,547 0.999,548 1.037,549 5,550 0.131,551 2.889,552 1.417,553 1.227,554 0.681,555 0.493,556 0.298,557 0.168,558 0.148,559 11936,560 22179,561 2.137,562 53.3,563 3,564 18,568 2,569 9,572 1.702,573 2.049,574 3.734,575 -0.884,582 76.317,583 1.272,584 2.994,585 4.423,586 5.115,587 5.161,588 5.161,589 3.244,590 4.379,591 4.778,592 3.903,593 1475.25,594 8.261,595 20767.7,597 1,600 354.413,601 1.198,602 4.76,603 0.161,604 0.007,605 0.069,606 0.035,607 0.036,608 0.022,609 0.017,610 0.012,611 0.007,612 0.007,613 0.372,614 0.5,615 0.88,616 0.615,617 144.779,618 0.056,619 -0.139,620 0.072,621 -0.027,622 0.025,623 0.013,624 -0.077,625 0.025,626 -0.029,627 -0.001,628 0.014,629 -0.007,630 -0.081,631 -0.017,632 -0.08,633 -0.054,634 0.02,635 -0.063,636 -0.061,637 -0.101,638 -0.104,639 -0.108,640 -0.047,641 -0.109,642 0.038,643 -0.003,644 0.061,645 0.013,646 -0.003,647 0.036,648 0.023,649 0.01,650 -0.018,651 0.001,652 -0.113,653 -0.011,654 -0.011,655 -0.034,656 -0.099,657 -0.048,658 -0.136,659 -0.078,660 -0.002,661 -0.083,662 -0.026,663 -0.063,664 -0.016,665 -0.049,666 1.343,667 5.72,668 0.75,669 31.51,670 0.98,671 1.124,672 4.264,673 18.178,674 0.648,675 3.466,676 3.761,677 4.025,678 4.248,679 4.443,680 4.454,681 4.575,682 4.644,683 4.575,684 4.625,685 7.892,686 0.594,687 376.59,688 3.466,689 4.99,690 5.832,691 6.691,692 7.546,693 8.409,694 9.27,695 10.136,696 11.001,697 11.869,698 3.3,701 1,704 1,715 8,720 4,722 12,727 1,736 1,741 60,743 13,744 2,745 31,747 63,748 25,749 12,750 4,751 8,752 1,756 4,757 5,763 1,767 3,768 1,770 5,772 13,773 12,774 1,777 1,782 1,786 1,793 32,794 3,796 3,802 2,808 0.75,809 1,828 1,829 3,832 1,855 1,859 3,864 1,868 28,876 10,880 1,881 2,893 1.7,896 1,901 13.667,902 10.817,903 6.25,904 4.147,907 2.014,908 1.266,909 0.982,910 6.24,911 9.595,912 3.664,913 4.159,914 4.654,915 5.118,916 5.582,917 5.651,918 5.912,919 5.974,920 5.855,921 5.978,922 1,923 41,924 10.456,926 4.406,927 0.026,929 7.417,931 21.06,933 17.976,936 1.917,937 53.667,940 1,941 376.675,942 125.283,943 6.249,945 25.145,948 125.283,949 401.82,950 6.249,951 8.825,952 23.201,953 75.81,954 30.278,955 18.562,957 376.675,959 376.675,960 131.532,961 25.145,964 270.735,965 131.085,968 35.151,969 96.381,972 376.675,973 31.394,974 125.283,977 376.675,978 40.648,979 90.884,981 25.145,982 376.675,983 31.394,984 125.283,986 0.573,987 0.338,988 0.179,989 0.096,990 20,991 8,992 0.111,993 7,994 1,995 1.095,996 4.204,997 231.395,998 0.095,999 21,1000 126.606,1005 19.359,1006 9.026,1007 4.733,1009 31.394,1010 17.073,1015 4.986,1018 533.352,1019 38,1024 12.72,1028 0.324,1031 58.785,1032 67.434,1034 0.215,1035 0.507,1036 0.749,1037 0.866,1038 0.874,1039 0.874,1040 4.898,1041 1.421,1042 5.79,1043 3.856,1044 4.443,1045 4.844,1046 1.906,1047 6.555,1048 4.408,1049 6.044,1050 1.275,1051 7.318,1052 3.5,1053 3.892,1054 4.443,1055 0.57,1056 7.357,1057 3.836,1058 7.313,1059 1,1060 8.943,1061 3.037,1062 5.994,1063 6.87,1064 2.047,1065 10.425,1066 5.923,1067 8.614,1068 1,1069 10.627,1070 2.275,1071 6.293,1072 7.312,1073 0.581,1074 12.081,1075 6.203,1076 9.95,1077 0.745,1078 12.349,1079 2.136,1080 7.816,1081 9.209,1082 2.367,1083 14.644,1084 7.71,1085 11.309,1086 0.572,1087 14.099,1088 1.633,1089 8.517,1090 10.059,1091 0.515,1092 16.666,1093 8.391,1094 12.687,1095 0.239,1096 15.868,1097 1.299,1098 9.793,1099 11.717,1100 2.767,1101 19.06,1102 9.652,1103 3.103,1104 0.038,1105 17.653,1106 0.39,1107 10.696,1108 12.786,1109 0.441,1110 21.247,1111 10.533,1112 2.745,1113 10.344,1114 19.45,1115 0.093,1116 11.865,1117 14.32,1118 3.207,1119 23.587,1120 11.686,1121 2.68,1122 8.502,1123 21.258,1124 4.02,1125 12.869,1126 15.515,1127 0.373,1128 25.849,1129 12.667,1130 2.456,1131 7.786,1132 23.074,1133 3.457,1134 13.996,1135 16.981,1136 3.669,1137 28.175,1138 13.775,1139 2.081,1140 6.944,1141 24.898,1142 3.307,1143 15.051,1144 18.251,1145 0.314,1146 30.472,1147 14.808,1148 1.913,1149 5.892,1150 26.728,1151 2.636,1152 16.163,1153 19.68,1154 4.143,1155 32.797,1156 15.9,1157 1.525,1158 5.754,1159 28.564,1160 2.276,1161 17.246,1162 20.995,1163 0.264,1164 35.111,1165 16.96,1166 11131,1167 15259,1168 21.266,1169 38.887,1170 45.757,1171 46.761,1172 46.673,1173 45.616,1174 45.589,1175 55.33,1176 6.333,1177 126.883,1178 44.847,1179 5.405,1180 5.609,1181 6.35,1182 5.114,1183 5.103,1184 7.02,1185 2.555,1186 17.099,1187 5.038,1188 9.951,1189 1.476,1190 1.508,1191 1.506,1192 1.471,1193 1.471,1194 1.785,1195 0.204,1196 4.093,1197 1.447,1198 4.044,1199 4.08,1200 3.983,1201 3.961,1202 7.427,1203 3.962,1204 3.946,1205 3.991,1206 3.862,1207 3.863,1208 4.761,1209 3.858,1210 3.827,1211 3.873,1212 3.714,1213 3.725,1214 4.717,1215 3.715,1216 3.621,1217 3.672,1218 3.52,1219 3.459,1220 4.318,1221 3.465,1222 3.432,1223 3.509,1224 3.266,1225 3.264,1226 4.146,1227 3.253,1228 3.291,1229 3.369,1230 3.101,1231 3.136,1232 3.9,1233 3.115,1234 3.165,1235 3.232,1236 3.007,1237 3.015,1238 3.836,1239 3.005,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.674,1245 2.91,1246 0.142,1247 0.116,1248 0.211,1249 0.132,1250 0.1,1251 4.405,1252 0.13,1253 3.609,1254 0.041,1255 6.548,1256 0.334,1257 4.078,1258 0.098,1259 3.103,1260 4.02,1261 1.277,1262 10.344,1263 3.038,1264 1.944,1265 1.914,1266 2.106,1267 2.072,1268 1.485,1269 2.086,1270 1.916,1271 1.889,1272 2.028,1273 2.002,1274 1.211,1275 2.009,1276 1.828,1277 1.78,1278 1.988,1279 1.941,1280 1.157,1281 1.961,1282 1.597,1283 1.519,1284 1.866,1285 1.819,1286 1.115,1287 1.838,1288 1.491,1289 1.436,1290 1.732,1291 1.681,1292 1.005,1293 1.7,1294 1.318,1295 1.24,1296 1.635,1297 1.523,1298 0.837,1299 1.568,1300 1.188,1301 1.126,1302 1.513,1303 1.394,1304 0.825,1305 1.429,1306 1.153,1307 1.064,1308 1.455,1309 1.376,1310 0.682,1311 1.416,1312 4.143,1314 5.442,1315 2.398,1316 6.936,1317 4.727,1318 8.512,1319 6.823,1320 10.13,1322 2.194,1328 10.731,1332 0.695,1333 4.945,1340 35.66,1341 76.317,1342 179.619,1343 265.394,1344 306.904,1345 309.659,1346 309.659,1347 43.886,1348 7.581,1349 23.55,1350 23.55,1351 23,1352 12.414,1353 3.807,1354 3,1355 42.901,1356 135,1357 122,1358 0.153,1359 218.098,1360 382.13,1361 523.92,1362 23000,1364 19.347,1365 0.691,1366 0.61,1367 19.347,1368 17.07,1369 13.725,1370 0.443,1371 0.352,1372 10.826,1373 13.446,1374 10.543,1375 8.718,1376 13.725,1377 10.9,1378 11.924,1379 0.284,1380 0.199,1381 11.924,1382 8.34,1383 10.313,1384 0.188,1385 0.118,1386 10.313,1387 6.511,1388 8.327,1389 0.121,1390 0.068,1391 8.327,1392 4.726,1393 6.689,1394 0.08,1395 0.04,1396 6.689,1397 3.392,1398 0.251,1399 84.113,1400 0.217,1401 27.585,1402 0.391,1403 146,1404 307.026,1405 152.6,1406 304.408,1407 423.88,1408 288,1409 170,1410 311.566,1411 177.489,1412 319.712,1413 466.59,1414 303,1415 7.959}
{0 CHEMBL308807,1 1.414,2 12.667,3 4.571,4 20.889,5 109.694,6 6.787,7 0.4,8 4.063,9 4.192,10 3.556,11 3.638,12 5.04,13 3.589,14 4.659,15 4.849,16 3.905,17 4.067,18 5.59,19 3.987,20 4.979,21 5.22,22 3.899,23 4.209,24 5.874,25 4.076,26 5.02,27 5.292,28 3.742,29 4.139,30 5.845,31 3.972,32 4.932,33 5.219,34 3.656,35 4.025,36 5.758,37 3.86,38 4.788,39 5.037,40 3.655,41 3.948,42 5.722,43 3.813,44 4.764,45 5.015,46 3.51,47 3.895,48 5.712,49 3.742,50 4.676,51 4.961,52 3.353,53 3.794,54 5.447,55 3.616,56 0.036,57 0.826,58 12.161,59 5.459,60 5.438,61 7.389,62 0.134,63 1.402,64 23.211,65 9.324,66 17.744,67 12.996,68 0.261,69 1.765,70 33.329,71 12.919,72 42.6,73 17.99,74 0.292,75 1.699,76 35.305,77 13.383,78 47.55,79 18.914,80 0.365,81 1.549,82 32.806,83 12.208,84 46.499,85 17.285,86 0.299,87 1.343,88 27.951,89 10.58,90 43.678,91 14.617,92 0.377,93 1.398,94 27.848,95 10.383,96 56.702,97 13.909,98 0.223,99 1.263,100 25.217,101 9.703,102 36.823,103 13.546,104 5,105 41,106 0.236,107 0.547,108 0.76,109 0.867,110 0.867,111 0.867,112 3.339,113 1.004,114 -5.45,115 -5.33,116 -4.98,121 42.6,123 5,124 1,127 4,144 7,145 3,146 2,159 1,176 13,180 5,185 3,187 14,192 6,197 2,200 11,206 5,211 1,214 8,219 5,227 12,235 1,237 1,239 12,243 1,244 1,249 1,251 11,256 2,261 1,264 6,269 3,274 2,277 3,281 1132,282 18.463,283 18.463,284 18.463,285 18.463,286 18.463,287 16.872,288 23.376,289 10.97,290 18.666,291 14.831,292 14.831,293 14.831,294 14.831,295 14.831,296 12.355,297 28.233,298 5.259,299 15.159,300 4.341,301 2.473,302 1.198,303 0.556,304 0.556,305 0.556,306 4.04,311 1,312 1,313 755,314 3.082,317 73.661,318 273.509,321 127.016,325 2.148,326 24.43,328 1,329 0.75,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.89,337 57.5,338 342,339 4.342,340 3.607,341 6.257,342 3.986,343 2.989,344 3.981,345 1.277,346 9.438,347 2.985,348 4.061,349 3.08,350 5.904,351 3.727,352 2.761,353 3.653,354 0.916,355 8.172,356 2.676,357 3.908,358 3.073,359 5.661,360 3.629,361 2.625,362 3.247,363 0.4,364 7.923,365 2.623,366 3.639,367 2.848,368 5.39,369 3.506,370 2.522,371 2.709,372 0.172,373 7.103,374 2.481,375 3.342,376 2.447,377 5.093,378 3.14,379 2.192,380 2.499,382 6.266,383 2.059,384 3.048,385 2.139,386 4.651,387 2.77,388 1.819,389 2.116,391 5.025,392 1.715,393 2.892,394 1.958,395 4.405,396 2.528,397 1.535,398 2.027,400 4.285,401 1.526,402 2.848,403 1.759,404 4.163,405 2.491,406 1.486,407 1.888,409 3.775,410 1.483,411 2.654,412 1.279,413 3.482,414 2.178,415 1.188,416 1.722,418 2.598,419 1.173,420 2.178,421 1.251,422 3.437,423 2.021,424 1.056,425 1.151,427 2.384,428 1.017,429 2,430 1.086,431 3.414,432 1.984,433 1,434 1,436 2.275,437 0.983,438 1.769,439 1.077,440 3.146,441 1.613,442 0.6,443 0.67,445 1.398,446 0.605,447 1.618,448 0.601,449 2.999,450 1.353,451 0.366,452 0.433,454 0.898,455 0.36,456 1.22,457 0.382,458 2.822,459 1.027,460 0.039,461 0.044,463 0.099,464 0.038,465 0.909,466 0.189,467 2.391,468 0.536,469 -0.398,470 -0.493,472 -0.884,473 -0.348,474 12.919,475 0.478,476 0.588,477 0.022,478 30.75,479 1.139,480 14,481 0.519,482 16.75,483 0.62,484 24.896,485 0.922,486 29.681,487 0.55,488 20.163,489 0.747,490 5.692,491 0.211,492 7.478,493 0.277,494 0.048,496 0.302,499 1,501 0.594,502 1.124,503 0.847,504 1.085,505 0.487,506 1.016,507 0.737,508 1.055,509 0.972,510 1.07,511 0.504,512 1.048,513 0.901,514 1.034,515 1.066,516 1.105,517 0.817,518 1.106,519 0.821,520 0.934,521 0.991,522 1.039,523 0.838,524 1.042,525 0.831,526 0.791,527 0.892,528 0.901,529 0.939,530 0.907,531 0.982,532 0.898,533 0.988,534 1.008,535 1.195,536 1.009,537 1.437,538 1.059,539 1.224,540 1.053,541 1.646,542 1.108,543 0.909,544 0.993,545 1.001,546 1.003,547 0.904,548 1.013,549 5.5,550 0.098,551 2.667,552 1.257,553 1.173,554 0.677,555 0.453,556 0.251,557 0.207,558 0.128,559 10929,560 25176,561 2.142,562 50,563 3,564 15,567 1,568 2,569 6,572 1.692,573 2.051,574 3.63,575 -0.419,582 76.34,583 1.414,584 3.282,585 4.557,586 5.199,587 5.199,588 5.199,589 3.087,590 4.607,591 4.728,592 3.835,593 1346.09,594 8.157,595 18492.8,597 1,600 310.764,601 1.218,602 4.706,603 0.183,604 0.005,605 0.065,606 0.033,607 0.038,608 0.023,609 0.016,610 0.01,611 0.01,612 0.006,613 0.39,614 0.5,615 0.88,616 0.454,617 137.839,618 -0.007,619 -0.048,620 0.052,621 0.014,622 0.007,623 0.036,624 -0.045,625 -0.039,626 -0.043,627 -0.044,628 0.043,629 -0.04,630 -0.061,631 -0.077,632 -0.11,633 -0.111,634 -0.004,635 -0.115,636 -0.025,637 -0.084,638 -0.033,639 -0.071,640 -0.015,641 -0.057,642 0.052,643 0.088,644 0.083,645 0.063,646 -0.023,647 0.075,648 0.004,649 -0.054,650 -0.013,651 -0.033,652 -0.062,653 -0.03,654 -0.124,655 -0.023,656 -0.207,657 -0.067,658 -0.186,659 -0.139,660 -0.04,661 -0.004,662 -0.029,663 -0.018,664 -0.069,665 -0.02,666 1.83,667 5.558,668 0.778,669 28.436,670 0.991,671 1.129,672 4.219,673 17.798,674 0.654,675 3.434,676 3.738,677 3.97,678 4.19,679 4.369,680 4.382,681 4.443,682 4.522,683 4.489,684 4.543,685 7.647,686 0.611,687 366.52,688 3.434,689 4.963,690 5.796,691 6.653,692 7.497,693 8.355,694 9.204,695 10.062,696 10.913,697 11.772,698 3.7,701 1,703 1,715 7,720 5,722 12,727 1,734 1,740 1,741 54,743 13,744 2,745 30,747 57,748 23,749 12,750 5,751 7,752 1,756 4,757 5,767 3,768 1,770 5,772 13,773 10,774 1,777 1,782 1,786 1,790 1,791 1,793 27,794 4,795 1,796 4,802 2,808 0.75,809 1,828 1,829 3,832 1,855 1,859 3,866 1,868 27,876 9,877 1,880 1,881 1,892 1,893 1.9,896 1,901 13.167,902 9.426,903 5.889,904 3.565,907 2.033,908 1.272,909 0.997,910 5.659,911 9.502,912 3.638,913 4.159,914 4.64,915 5.106,916 5.56,917 5.622,918 5.747,919 5.805,920 5.703,921 5.846,922 1,923 38,924 10.093,926 4.353,927 0.026,929 7.66,931 19.883,933 17.072,936 2.16,937 58.333,939 1,940 1,941 306.049,942 113.997,943 21.135,945 25.145,946 14.96,948 113.997,949 331.194,950 36.095,952 21.095,953 66.334,954 48.289,955 24.559,956 14.96,957 306.049,959 306.049,960 135.132,961 40.105,964 250.382,965 95.772,968 24.22,969 92.902,970 18.011,972 321.009,973 46.28,974 113.997,977 306.049,978 47.663,979 69.458,980 18.011,981 40.105,982 306.049,983 61.24,984 113.997,986 0.58,987 0.33,988 0.172,989 0.091,990 20,991 8,992 0.105,993 6,994 1,995 1.095,996 4.127,997 219.898,998 0.095,999 21,1000 124.382,1005 18.343,1006 8.33,1007 4.635,1009 61.24,1010 12.944,1015 4.183,1017 18.011,1018 481.286,1019 37,1024 12.558,1028 0.27,1031 53.53,1032 60.943,1034 0.246,1035 0.57,1036 0.792,1037 0.903,1038 0.903,1039 0.903,1040 4.875,1041 1.486,1042 5.759,1043 4.285,1044 4.419,1045 4.844,1046 1.806,1047 6.506,1048 4.381,1049 6.034,1050 1.188,1051 7.276,1052 3.775,1053 3.892,1054 4.527,1055 0.325,1056 7.235,1057 3.832,1058 7.31,1059 1.056,1060 8.885,1061 2.598,1062 5.958,1063 6.9,1064 1.993,1065 10.28,1066 5.892,1067 8.614,1068 1,1069 10.547,1070 2.384,1071 6.236,1072 7.387,1073 0.393,1074 11.817,1075 6.16,1076 9.95,1077 0.6,1078 12.243,1079 2.275,1080 7.745,1081 9.252,1082 2.342,1083 14.342,1084 7.659,1085 11.307,1086 0.366,1087 13.963,1088 1.398,1089 8.404,1090 10.123,1091 0.384,1092 16.231,1093 8.317,1094 12.679,1095 0.039,1096 15.699,1097 0.898,1098 9.667,1099 11.761,1100 2.756,1101 18.562,1102 9.571,1103 2.989,1104 -0.398,1105 17.448,1106 0.099,1107 10.521,1108 12.837,1109 0.351,1110 20.619,1111 10.425,1112 2.761,1113 9.438,1114 19.207,1115 -0.884,1116 11.671,1117 14.357,1118 3.203,1119 22.875,1120 11.568,1121 2.625,1122 8.172,1123 20.975,1124 3.981,1125 12.625,1126 15.549,1127 0.312,1128 25.014,1129 12.522,1130 2.522,1131 7.923,1132 22.748,1133 3.653,1134 13.724,1135 17.003,1136 3.667,1137 27.244,1138 13.616,1139 2.192,1140 7.103,1141 24.528,1142 3.247,1143 14.731,1144 18.264,1145 0.273,1146 29.425,1147 14.624,1148 1.819,1149 6.266,1150 26.312,1151 2.709,1152 15.809,1153 19.681,1154 4.143,1155 31.649,1156 15.699,1157 1.535,1158 5.025,1159 28.101,1160 2.499,1161 16.844,1162 20.984,1163 0.236,1164 33.854,1165 16.735,1166 10124,1167 15467,1168 20.572,1169 35.302,1170 44.532,1171 45.754,1172 45.113,1173 44.464,1174 44.356,1175 54.28,1176 5.533,1177 123.276,1178 43.442,1179 5.342,1180 5.607,1181 5.813,1182 5.021,1183 4.989,1184 6.981,1185 2.555,1186 15.798,1187 4.985,1188 9.685,1189 1.484,1190 1.525,1191 1.504,1192 1.482,1193 1.479,1194 1.809,1195 0.184,1196 4.109,1197 1.448,1198 4.031,1199 4.067,1200 3.969,1201 3.951,1202 8.201,1203 3.951,1204 3.949,1205 3.991,1206 3.882,1207 3.862,1208 7.427,1209 3.861,1210 3.83,1211 3.876,1212 3.721,1213 3.724,1214 4.749,1215 3.715,1216 3.585,1217 3.634,1218 3.485,1219 3.421,1220 4.647,1221 3.428,1222 3.356,1223 3.428,1224 3.211,1225 3.199,1226 4.309,1227 3.19,1228 3.172,1229 3.236,1230 3.032,1231 3.015,1232 4.084,1233 3.009,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.879,1239 2.91,1240 2.951,1241 3.016,1242 2.832,1243 2.802,1244 3.691,1245 2.794,1246 0.145,1247 0.12,1248 0.209,1249 0.133,1250 0.1,1251 4.342,1252 0.133,1253 3.607,1254 0.043,1255 6.257,1256 0.315,1257 3.986,1258 0.099,1259 2.989,1260 3.981,1261 1.277,1262 9.438,1263 2.985,1264 1.941,1265 1.911,1266 2.103,1267 2.072,1268 1.485,1269 2.085,1270 1.911,1271 1.885,1272 2.014,1273 1.997,1274 1.21,1275 2.003,1276 1.824,1277 1.778,1278 1.976,1279 1.939,1280 1.152,1281 1.953,1282 1.492,1283 1.436,1284 1.748,1285 1.698,1286 1.024,1287 1.719,1288 1.461,1289 1.385,1290 1.708,1291 1.68,1292 0.937,1293 1.693,1294 1.198,1295 1.141,1296 1.513,1297 1.408,1298 0.825,1299 1.429,1300 1.153,1301 1.064,1302 1.448,1303 1.376,1304 0.674,1305 1.421,1306 0.981,1307 0.921,1308 1.227,1309 1.192,1310 0.429,1311 1.21,1312 4.111,1314 5.416,1315 2.398,1316 6.905,1317 4.595,1318 8.473,1319 6.581,1320 10.082,1324 13.319,1328 8.712,1329 3.338,1332 0.619,1333 2.389,1340 32.989,1341 76.34,1342 177.241,1343 246.093,1344 280.764,1345 280.764,1346 280.764,1347 48.171,1348 7.469,1349 32.34,1350 32.34,1351 23,1352 12.325,1353 3.807,1354 3,1355 40.644,1356 126,1357 102,1358 0.154,1359 200.112,1360 353.6,1361 480.033,1362 20165,1363 1.9,1364 18.64,1365 0.69,1366 0.582,1367 17.769,1368 15.716,1369 13.17,1370 0.439,1371 0.335,1372 9.949,1373 12.811,1374 9.75,1375 8.016,1376 12.776,1377 10.04,1378 11.839,1379 0.289,1380 0.192,1381 11.205,1382 7.86,1383 9.843,1384 0.189,1385 0.114,1386 9.523,1387 5.919,1388 7.991,1389 0.123,1390 0.066,1391 7.64,1392 4.285,1393 6.228,1394 0.08,1395 0.039,1396 6.092,1397 3.026,1398 0.253,1399 81.529,1400 0.22,1401 26.744,1402 0.395,1403 142,1404 385.825,1405 151.737,1406 352.228,1407 473.01,1408 330,1409 164,1410 335.773,1411 173.4,1412 337.592,1413 490.4,1414 319,1415 7.796}
{0 CHEMBL309173,1 1.325,2 13.533,3 5.261,4 27.678,5 125.143,6 6.353,7 0.364,8 4.219,9 4.35,10 3.656,11 3.768,12 5.139,13 3.709,14 4.82,15 5.019,16 3.974,17 4.189,18 5.648,19 4.095,20 5.146,21 5.384,22 4.098,23 4.399,24 5.948,25 4.268,26 5.249,27 5.513,28 3.942,29 4.382,30 6.021,31 4.207,32 5.179,33 5.466,34 3.865,35 4.283,36 5.924,37 4.104,38 5.059,39 5.326,40 3.782,41 4.17,42 5.865,43 4.013,44 4.953,45 5.195,46 3.679,47 4.106,48 5.814,49 3.943,50 4.95,51 5.241,52 3.5,53 4.038,54 5.627,55 3.831,56 0.066,57 0.885,58 15.381,59 6.525,60 8.746,61 9.125,62 0.212,63 1.493,64 28.494,65 10.945,66 18.717,67 15.705,68 0.275,69 1.951,70 39.292,71 15.146,72 34.111,73 21.849,74 0.421,75 2.039,76 43.781,77 16.389,78 45.445,79 23.712,80 0.35,81 1.865,82 40.48,83 15.4,84 39.996,85 22.42,86 0.36,87 1.639,88 36.429,89 13.253,90 38.602,91 18.972,92 0.377,93 1.484,94 32.823,95 12.386,96 43.675,97 17.378,98 0.239,99 1.467,100 31.981,101 12.452,102 30.477,103 18.061,104 6,105 44,106 0.213,107 0.509,108 0.737,109 0.859,110 0.869,111 0.869,112 3.44,113 1.043,114 -5.16,115 -5.05,116 -4.73,121 40.6,123 7,124 1,126 1,127 4,144 7,145 3,146 2,159 1,176 15,180 7,185 3,187 16,192 7,197 4,200 13,205 1,206 6,211 1,214 11,219 5,222 1,224 1,227 12,232 3,237 1,239 13,243 1,244 4,249 1,251 12,256 3,261 2,264 9,269 3,277 8,281 1480,282 20.8,283 20.8,284 20.8,285 20.8,286 20.8,287 19.233,288 26.408,289 12.513,290 21.112,291 16.247,292 16.247,293 16.247,294 16.247,295 16.247,296 13.755,297 30.49,298 5.885,299 16.633,300 4.675,301 2.842,302 1.424,303 0.668,304 0.606,305 0.606,306 4.143,311 1,312 1,313 885,314 3.24,318 291.879,319 106.833,323 161.344,325 2.231,326 19.635,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 63,338 406,339 4.331,340 3.606,341 6.248,342 3.97,343 2.972,344 3.973,345 1.277,346 9.413,347 2.971,348 4.207,349 3.194,350 6.16,351 3.849,352 2.885,353 3.805,354 0.916,355 9.125,356 2.78,357 3.896,358 3.034,359 5.898,360 3.637,361 2.64,362 3.236,363 0.86,364 8.151,365 2.637,366 3.625,367 2.804,368 5.474,369 3.527,370 2.539,371 2.646,372 0.4,373 7.316,374 2.503,375 3.207,376 2.337,377 5.127,378 3.1,379 2.153,380 2.261,381 0.172,382 6.343,383 2.026,384 2.948,385 1.997,386 4.469,387 2.651,388 1.685,389 2.086,391 4.509,392 1.65,393 2.917,394 1.93,395 4.311,396 2.648,397 1.648,398 2.083,400 4.025,401 1.622,402 2.889,403 1.914,404 4.166,405 2.486,406 1.537,407 1.96,409 3.785,410 1.453,411 2.79,412 1.584,413 3.716,414 2.434,415 1.434,416 1.851,418 3.251,419 1.43,420 2.609,421 1.506,422 3.621,423 2.377,424 1.369,425 1.609,427 3.022,428 1.375,429 2.072,430 1.089,431 3.414,432 1.984,433 1,434 1.014,436 2.275,437 0.983,438 2,439 1.077,440 3.272,441 1.852,442 0.869,443 1,445 1.963,446 0.853,447 1.794,448 0.95,449 3.118,450 1.598,451 0.595,452 0.682,454 1.341,455 0.589,456 1.683,457 0.94,458 2.881,459 1.421,460 0.501,461 0.566,463 0.879,464 0.457,465 1.182,466 0.432,467 2.623,468 1.003,469 0.049,470 0.053,472 0.103,473 0.046,474 14.467,475 0.482,476 0.533,477 0.018,478 33,479 1.1,480 14.5,481 0.483,482 18.5,483 0.617,484 30.402,485 1.013,486 33.533,487 0.524,488 22.345,489 0.745,490 5.989,491 0.2,492 8.736,493 0.291,494 0.058,496 0.27,501 0.784,502 1.318,503 0.944,504 1.175,505 0.564,506 1.087,507 1.111,508 1.116,509 1.058,510 1.048,511 0.66,512 1.04,513 0.925,514 1.118,515 1.007,516 1.078,517 0.848,518 1.05,519 1.074,520 1.074,521 1.108,522 1.085,523 1.135,524 1.098,525 0.757,526 0.958,527 0.899,528 0.966,529 0.946,530 0.949,531 1.42,532 0.915,533 1.06,534 0.947,535 1.662,536 0.966,537 1.521,538 1.053,539 1.222,540 1.101,541 2.166,542 1.139,543 0.788,544 1.032,545 0.986,546 1.037,547 1.062,548 1.036,549 5,550 0.114,551 3.111,552 1.188,553 1.508,554 0.864,555 0.389,556 0.351,557 0.22,558 0.113,559 14096,560 27919,561 2.128,562 53.1,563 7,564 18,567 1,568 2,569 6,572 1.72,573 2.045,574 3.715,575 -0.448,582 84.815,583 1.325,584 3.158,585 4.576,586 5.332,587 5.394,588 5.394,589 3.127,590 4.548,591 4.881,592 3.928,593 1708.83,594 8.468,595 25446.4,600 384,601 1.159,602 4.862,603 0.152,604 0.005,605 0.071,606 0.025,607 0.04,608 0.024,609 0.012,610 0.012,611 0.009,612 0.005,613 0.354,614 0.33,615 1,616 0.588,617 158.465,618 0.017,619 -0.088,620 0.064,621 -0.019,622 0.038,623 0.02,624 -0.097,625 0.021,626 -0.044,627 0.004,628 0.006,629 -0.01,630 -0.025,631 -0.068,632 -0.019,633 -0.058,634 0.04,635 -0.04,636 -0.038,637 -0.086,638 -0.119,639 -0.103,640 -0.057,641 -0.118,642 0.08,643 -0.005,644 0.067,645 0.005,646 0.028,647 0.031,648 -0.12,649 0.052,650 -0.049,651 0.018,652 -0.142,653 -0.003,654 -0.119,655 -0.078,656 -0.204,657 -0.104,658 -0.229,659 -0.158,660 -0.016,661 -0.099,662 -0.032,663 -0.059,664 -0.076,665 -0.051,666 1.375,667 5.783,668 0.767,669 33.644,670 0.984,671 1.126,672 3.928,673 15.43,674 0.642,675 3.526,676 3.807,677 4.06,678 4.263,679 4.5,680 4.533,681 4.554,682 4.635,683 4.727,684 4.779,685 8.171,686 0.592,687 406.62,688 3.526,689 5.043,690 5.878,691 6.727,692 7.575,693 8.428,694 9.28,695 10.134,696 10.987,697 11.842,698 3.1,701 1,703 1,715 7,720 5,722 12,727 1,734 1,739 1,741 64,743 13,744 2,745 33,747 67,748 26,749 12,750 5,751 7,752 1,756 4,757 5,767 5,768 1,770 7,772 13,773 13,774 1,777 1,782 1,786 1,793 34,794 4,795 1,796 4,802 2,808 0.75,809 2,829 3,830 1,834 1,855 1,859 3,864 1,868 30,876 11,877 1,878 1,880 1,881 1,893 3.1,896 1,898 1,901 14.667,902 11.45,903 6.75,904 4.244,907 2.134,908 1.275,909 0.974,910 7.326,911 9.9,912 3.714,913 4.205,914 4.7,915 5.149,916 5.629,917 5.698,918 5.842,919 5.883,920 6.024,921 6.17,922 0.889,923 48,924 11.193,926 4.691,927 0.026,929 7.461,931 22.404,933 18.928,936 1.961,937 58.833,941 388.446,942 126.072,943 21.135,945 36.145,948 126.072,949 424.591,950 21.135,951 10.883,952 26.165,953 66.334,954 48.289,955 31.681,957 388.446,959 388.446,960 147.207,961 36.145,964 317.82,965 106.771,968 29.289,969 99.907,970 18.011,972 388.446,973 57.28,974 126.072,977 388.446,978 48.855,979 80.341,980 18.011,981 36.145,982 388.446,983 57.28,984 126.072,986 0.569,987 0.335,988 0.178,989 0.099,990 20,991 8,992 0.104,993 7,994 1,995 1.087,996 4.329,997 254.258,998 0.087,999 23,1000 143.207,1005 21.24,1006 10.347,1007 5.587,1009 57.28,1010 14.546,1015 5.622,1017 18.011,1018 571.798,1019 40,1024 12.783,1028 0.292,1031 62.996,1032 72.059,1034 0.221,1035 0.526,1036 0.763,1037 0.889,1038 0.899,1039 0.899,1040 4.942,1041 1.537,1042 5.826,1043 4.025,1044 4.489,1045 4.89,1046 2.024,1047 6.575,1048 4.449,1049 6.083,1050 1.434,1051 7.344,1052 3.785,1053 3.892,1054 4.527,1055 0.325,1056 7.345,1057 3.845,1058 7.352,1059 1.369,1060 8.961,1061 3.251,1062 6.023,1063 6.935,1064 2.132,1065 10.404,1066 5.953,1067 8.654,1068 1,1069 10.637,1070 3.022,1071 6.275,1072 7.433,1073 0.393,1074 12.004,1075 6.2,1076 9.991,1077 0.869,1078 12.351,1079 2.275,1080 7.815,1081 9.301,1082 2.417,1083 14.538,1084 7.721,1085 11.352,1086 0.595,1087 14.09,1088 1.963,1089 8.474,1090 10.204,1091 0.384,1092 16.478,1093 8.375,1094 12.731,1095 0.501,1096 15.848,1097 1.341,1098 9.752,1099 11.836,1100 2.793,1101 18.82,1102 9.639,1103 2.972,1104 0.049,1105 17.618,1106 0.879,1107 10.615,1108 12.943,1109 0.351,1110 20.909,1111 10.496,1112 2.885,1113 9.413,1114 19.397,1115 0.103,1116 11.774,1117 14.456,1118 3.22,1119 23.176,1120 11.642,1121 2.64,1122 9.125,1123 21.183,1124 3.973,1125 12.737,1126 15.672,1127 0.312,1128 25.334,1129 12.599,1130 2.539,1131 8.151,1132 22.975,1133 3.805,1134 13.842,1135 17.122,1136 3.676,1137 27.572,1138 13.693,1139 2.153,1140 7.316,1141 24.771,1142 3.236,1143 14.856,1144 18.399,1145 0.273,1146 29.763,1147 14.701,1148 1.685,1149 6.343,1150 26.57,1151 2.646,1152 15.938,1153 19.813,1154 4.146,1155 31.99,1156 15.774,1157 1.648,1158 4.509,1159 28.373,1160 2.261,1161 16.978,1162 21.126,1163 0.236,1164 34.198,1165 16.808,1166 13201,1167 18674,1168 22.652,1169 41.103,1170 47.991,1171 49.373,1172 49.084,1173 47.709,1174 47.752,1175 57.652,1176 7.253,1177 131.002,1178 46.749,1179 5.331,1180 5.606,1181 6.004,1182 5.005,1183 4.972,1184 6.973,1185 2.555,1186 15.785,1187 4.971,1188 10.395,1189 1.454,1190 1.496,1191 1.487,1192 1.446,1193 1.447,1194 1.747,1195 0.22,1196 3.97,1197 1.417,1198 4.025,1199 4.062,1200 3.957,1201 3.944,1202 7.427,1203 3.943,1204 3.947,1205 3.984,1206 3.879,1207 3.862,1208 4.863,1209 3.861,1210 3.831,1211 3.875,1212 3.717,1213 3.724,1214 4.72,1215 3.714,1216 3.643,1217 3.695,1218 3.522,1219 3.509,1220 4.395,1221 3.501,1222 3.453,1223 3.518,1224 3.306,1225 3.3,1226 4.313,1227 3.293,1228 3.249,1229 3.315,1230 3.09,1231 3.068,1232 4.152,1233 3.063,1234 3.232,1235 3.313,1236 3.061,1237 2.993,1238 3.899,1239 2.99,1240 3.179,1241 3.253,1242 3.016,1243 2.96,1244 3.846,1245 2.966,1246 0.131,1247 0.109,1248 0.189,1249 0.12,1250 0.09,1251 4.331,1252 0.12,1253 3.606,1254 0.039,1255 6.248,1256 0.285,1257 3.97,1258 0.09,1259 2.972,1260 3.973,1261 1.277,1262 9.413,1263 2.971,1264 1.954,1265 1.929,1266 2.104,1267 2.075,1268 1.485,1269 2.087,1270 1.922,1271 1.893,1272 2.04,1273 2.024,1274 1.313,1275 2.029,1276 1.831,1277 1.785,1278 1.993,1279 1.951,1280 1.187,1281 1.966,1282 1.671,1283 1.605,1284 1.921,1285 1.854,1286 1.148,1287 1.883,1288 1.502,1289 1.447,1290 1.735,1291 1.704,1292 1.005,1293 1.716,1294 1.256,1295 1.191,1296 1.573,1297 1.514,1298 0.825,1299 1.534,1300 1.197,1301 1.124,1302 1.513,1303 1.463,1304 0.736,1305 1.481,1306 1.153,1307 1.064,1308 1.509,1309 1.376,1310 0.656,1311 1.429,1312 4.205,1314 5.493,1316 6.974,1317 2.708,1318 8.541,1319 5.094,1320 10.152,1322 1.738,1328 11.709,1329 3.492,1330 5.488,1332 0.654,1333 2.508,1340 37.901,1341 84.815,1342 202.121,1343 292.865,1344 341.245,1345 345.245,1346 345.245,1347 50.988,1348 7.766,1349 41.57,1350 41.57,1351 25,1352 12.396,1353 3.807,1354 3,1355 47.495,1356 151,1357 118,1358 0.152,1359 231.687,1360 408.22,1361 557.076,1362 30188,1364 20.761,1365 0.692,1366 0.605,1367 20.761,1368 18.161,1369 14.725,1370 0.446,1371 0.348,1372 11.362,1373 14.331,1374 11.081,1375 9.182,1376 14.725,1377 11.47,1378 12.621,1379 0.287,1380 0.199,1381 12.621,1382 8.749,1383 10.859,1384 0.191,1385 0.117,1386 10.859,1387 6.693,1388 8.654,1389 0.124,1390 0.068,1391 8.654,1392 4.783,1393 7.222,1394 0.081,1395 0.04,1396 7.222,1397 3.594,1398 0.248,1399 91.107,1400 0.21,1401 29.131,1402 0.389,1403 154,1404 355.449,1405 162.785,1406 344.517,1407 474.07,1408 326,1409 178,1410 341.985,1411 187.48,1412 350.565,1413 508.74,1414 330,1415 5.576}
{0 CHEMBL309351,1 1.523,2 9.609,3 3.038,4 9.227,5 88.645,6 7.367,7 0.462,8 3.856,9 3.977,10 3.422,11 3.398,12 4.922,13 3.385,14 4.406,15 4.563,16 3.833,17 3.835,18 5.495,19 3.795,20 4.698,21 4.905,22 3.823,23 3.964,24 5.649,25 3.884,26 4.742,27 4.994,28 3.645,29 3.856,30 5.696,31 3.745,32 4.584,33 4.837,34 3.53,35 3.607,36 5.627,37 3.53,38 4.293,39 4.494,40 3.336,41 3.397,42 5.376,43 3.349,44 4.101,45 4.293,46 3.301,47 3.349,48 5.233,49 3.293,50 4.145,51 4.354,52 3.176,53 3.345,54 5.295,55 3.266,56 0.03,57 0.627,58 8.81,59 3.742,60 6.739,61 4.913,62 0.294,63 1.038,64 16.527,65 6.585,66 30.218,67 8.939,68 0.192,69 1.302,70 23.767,71 8.695,72 27.552,73 12.034,74 0.238,75 1.277,76 26.419,77 8.881,78 37.18,79 12.723,80 0.322,81 0.991,82 23.688,83 7.667,84 46.543,85 10.54,86 0.349,87 0.734,88 17.312,89 5.558,90 37.779,91 6.973,92 0.207,93 0.677,94 13.316,95 4.844,96 25.923,97 6.394,98 0.309,99 0.713,100 14.336,101 4.567,102 41.385,103 6.116,104 5,105 38,106 0.267,107 0.617,108 0.769,109 0.853,110 0.876,111 0.876,112 3.189,113 0.904,114 -3.85,115 -3.81,116 -3.62,121 42.9,122 1,123 1,125 1,127 1,130 1,144 8,145 1,146 3,161 1,176 9,179 1,180 2,183 2,184 1,185 7,187 10,192 2,197 8,200 7,206 7,211 5,214 3,219 8,222 1,224 3,227 2,232 3,235 1,237 1,239 4,244 2,247 1,248 1,249 2,251 8,259 1,260 1,264 8,274 2,277 8,281 680,282 15.634,283 15.634,284 15.634,285 15.634,286 15.634,287 14.043,288 23.898,289 9.148,290 15.917,291 12.861,292 12.861,293 12.861,294 12.861,295 12.861,296 10.462,297 36.106,298 4.364,299 13.32,300 3.87,301 1.875,302 1.006,303 0.53,304 0.399,305 0.399,306 3.886,310 1,311 1,312 1,313 496,314 3.24,317 87.593,318 121.448,320 70.367,321 74.132,324 104.071,325 1.486,326 18.78,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 49.5,338 221,339 4.755,340 3.87,341 7.887,342 4.636,343 3.649,344 4.153,345 2.186,346 14.705,347 3.601,348 4.01,349 3.674,350 5.985,351 3.652,352 2.705,353 3.482,354 0.647,355 8.253,356 2.557,357 3.886,358 2.731,359 5.543,360 3.505,361 2.531,362 3.266,363 0.366,364 7.49,365 2.464,366 3.564,367 2.532,368 5.279,369 3.188,370 2.23,371 2.807,372 0.247,373 6.723,374 2.115,375 3.276,376 2.328,377 5.246,378 2.883,379 1.921,380 2.489,382 5.87,383 1.839,384 2.965,385 2.204,386 4.628,387 2.753,388 1.797,389 2.045,391 4.93,392 1.705,393 2.847,394 1.519,395 4.116,396 2.378,397 1.387,398 1.977,400 2.995,401 1.369,402 2.5,403 1.321,404 3.647,405 2.109,406 1.137,407 1.5,409 2.969,410 1.103,411 2.42,412 1.119,413 3.571,414 2.037,415 1.06,416 1.401,418 2.503,419 1.033,420 2.14,421 1,422 3.247,423 2,424 1,425 1.135,427 2.136,428 1,429 1.489,430 0.859,431 3.148,432 1.236,433 0.302,434 0.34,436 0.8,437 0.28,438 1.18,439 0.461,440 2.941,441 0.854,442 -0.084,443 -0.096,445 -0.224,446 -0.078,447 0.952,448 0.214,449 2.798,450 0.632,451 -0.353,452 -0.439,454 -0.874,455 -0.343,456 0.61,457 -0.347,458 2.369,459 0.272,460 -0.71,461 -0.798,463 -1.882,464 -0.689,465 0.54,466 -0.646,467 2.331,468 0.161,469 -0.828,470 -1.077,472 -2.265,473 -0.817,474 10.867,475 0.472,476 0.609,477 0.026,478 30.25,479 1.315,480 15,481 0.652,482 15.25,483 0.663,484 17.352,485 0.754,486 24.533,487 0.584,488 20.234,489 0.88,490 5.801,491 0.252,492 5.348,493 0.233,494 0.077,495 0.046,496 0.276,501 0.861,502 1.211,503 0.797,504 1.005,505 0.64,506 0.898,507 0.546,508 1.073,509 0.833,510 1.006,511 0.422,512 0.966,513 1.019,514 1.222,515 1.058,516 1.138,517 0.738,518 1.107,519 1.004,520 1.056,521 1.055,522 1.089,523 0.765,524 1.067,525 1.398,526 0.87,527 0.889,528 0.884,529 1.521,530 0.828,531 2.165,532 0.819,533 1.172,534 0.829,535 1.911,536 0.872,537 1.266,538 1.022,539 0.977,540 1.001,541 1.52,542 0.973,543 1.614,544 0.794,545 1.306,546 0.859,547 2.662,548 1.007,549 5.5,550 0.068,551 2.889,552 2.236,553 0.947,554 0.615,555 0.42,556 0.197,557 0.218,558 0.146,559 6151,560 14389,561 2.157,562 45.2,563 3,564 10,565 1,567 3,569 2,572 1.654,573 2.044,574 3.229,575 0.989,576 1,577 1,579 1,582 63.953,583 1.523,584 3.517,585 4.386,586 4.862,587 4.993,588 4.993,589 2.653,590 4.089,591 4.498,592 3.393,593 858.406,594 7.725,595 9733.19,596 1,597 1,599 1,600 226.477,601 1.445,602 4.459,603 0.212,604 0.005,605 0.076,606 0.062,607 0.034,608 0.025,609 0.02,610 0.009,611 0.012,612 0.009,613 0.464,614 0.5,615 1,616 0.503,617 107.612,618 -0.076,619 -0.029,620 0.047,621 0.025,622 -0.069,623 0.055,624 0.323,625 0.046,626 0.058,627 0.001,628 0.227,629 -0.011,630 -0.107,631 -0.193,632 -0.118,633 -0.157,634 -0.031,635 -0.142,636 -0.07,637 -0.081,638 -0.066,639 -0.14,640 0.055,641 -0.098,642 -0.009,643 0.012,644 0.172,645 0.067,646 0.001,647 0.137,648 -0.262,649 0.084,650 -0.097,651 0.127,652 -0.236,653 0.047,654 0.025,655 -0.039,656 0.007,657 -0.015,658 -0.017,659 -0.02,660 -0.219,661 0.242,662 -0.3,663 0.07,664 -0.385,665 -0.099,666 2.145,667 5.028,668 0.783,669 17.161,670 1.001,671 1.125,672 2.619,673 6.858,674 0.667,675 3.296,676 3.664,677 3.97,678 4.277,679 4.454,680 4.511,681 4.682,682 4.745,683 4.745,684 4.812,685 5.784,686 0.636,687 309.4,688 3.296,689 4.86,690 5.733,691 6.642,692 7.538,693 8.457,694 9.366,695 10.29,696 11.208,697 12.136,698 7.1,700 1,703 1,705 1,715 8,720 4,722 12,734 1,737 1,741 42,743 13,744 2,745 26,747 45,748 18,749 12,750 4,751 8,756 4,757 7,763 1,764 1,766 1,767 1,770 1,772 13,773 5,777 1,782 1,786 1,789 1,790 1,793 19,794 5,795 3,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,853 1,859 2,864 1,868 23,876 2,877 3,878 1,880 1,882 1,893 4.8,896 1,898 1,901 11.25,902 7.583,903 4.903,904 2.493,907 2.132,908 1.29,909 0.995,910 3.51,911 9.479,912 3.526,913 4.094,914 4.605,915 5.153,916 5.627,917 5.729,918 6.076,919 6.331,920 6.392,921 6.626,922 1,923 36,924 8.514,926 3.718,927 0.026,929 7.67,931 16.44,933 14.086,936 2.17,937 49.917,940 1,941 188.338,942 109.98,943 54.032,945 36.145,948 109.98,949 224.482,950 54.032,951 8.825,952 22.651,953 93.821,954 43.156,955 24.942,956 18.534,957 176.567,959 188.338,960 164.013,961 36.145,964 164.795,965 59.687,968 49.487,969 96.515,970 18.011,972 188.338,973 90.177,974 109.98,977 188.338,978 25.345,979 84.635,980 54.032,981 36.145,982 188.338,983 90.177,984 109.98,986 0.59,987 0.347,988 0.193,989 0.099,990 21,991 8,992 0.067,993 3,994 2,995 1.222,996 3.603,997 190.391,998 0.222,999 18,1000 100.042,1005 14.547,1006 5.549,1007 2.58,1009 90.177,1010 15.048,1015 3.595,1017 54.032,1018 388.495,1019 33,1024 12.028,1028 -0.478,1031 42.029,1032 47.235,1034 0.282,1035 0.652,1036 0.813,1037 0.902,1038 0.926,1039 0.926,1040 4.796,1041 1.137,1042 5.759,1043 2.995,1044 4.344,1045 4.779,1046 2.351,1047 6.663,1048 4.278,1049 6.003,1050 1.06,1051 7.378,1052 2.969,1053 4.111,1054 4.575,1055 1.784,1056 8.023,1057 4.037,1058 7.328,1059 1,1060 9.124,1061 2.503,1062 6.061,1063 6.89,1064 3.501,1065 11.159,1066 5.947,1067 8.692,1068 0.302,1069 10.957,1070 2.136,1071 6.711,1072 7.465,1073 3.59,1074 13.452,1075 6.603,1076 10.095,1077 -0.084,1078 12.85,1079 0.8,1080 8.185,1081 9.302,1082 4.906,1083 16.241,1084 8.051,1085 11.525,1086 -0.353,1087 14.79,1088 -0.224,1089 9.223,1090 10.251,1091 5.289,1092 18.823,1093 9.094,1094 12.978,1095 -0.71,1096 16.763,1097 -0.874,1098 10.551,1099 11.879,1100 6.387,1101 21.536,1102 10.408,1103 3.649,1104 -0.828,1105 18.762,1106 -1.882,1107 11.746,1108 13.031,1109 6.93,1110 24.196,1111 11.602,1112 2.705,1113 14.705,1114 20.778,1115 -2.265,1116 13.038,1117 14.555,1118 7.902,1119 26.891,1120 12.883,1121 2.531,1122 8.253,1123 22.809,1124 4.153,1125 14.293,1126 15.821,1127 8.539,1128 29.571,1129 14.131,1130 2.23,1131 7.49,1132 24.848,1133 3.482,1134 15.58,1135 17.293,1136 9.436,1137 32.261,1138 15.407,1139 1.921,1140 6.723,1141 26.895,1142 3.266,1143 16.858,1144 18.625,1145 10.13,1146 34.947,1147 16.676,1148 1.797,1149 5.87,1150 28.947,1151 2.807,1152 18.147,1153 20.069,1154 10.981,1155 37.636,1156 17.953,1157 1.387,1158 4.93,1159 31.003,1160 2.489,1161 19.434,1162 21.439,1163 11.71,1164 40.323,1165 19.229,1166 5730,1167 8878,1168 17.682,1169 28.017,1170 39.78,1171 40.588,1172 40.321,1173 39.43,1174 39.44,1175 49.187,1176 6.894,1177 118.747,1178 38.135,1179 5.717,1180 5.87,1181 7.688,1182 5.724,1183 5.649,1184 7.153,1185 3.889,1186 22.9,1187 5.601,1188 8.1,1189 1.53,1190 1.561,1191 1.551,1192 1.517,1193 1.517,1194 1.892,1195 0.265,1196 4.567,1197 1.467,1198 4.075,1199 4.112,1200 4.02,1201 3.982,1202 7.435,1203 3.986,1204 3.898,1205 3.934,1206 3.831,1207 3.821,1208 4.859,1209 3.818,1210 3.677,1211 3.718,1212 3.59,1213 3.543,1214 4.76,1215 3.545,1216 3.373,1217 3.397,1218 3.32,1219 3.073,1220 4.468,1221 3.134,1222 3.132,1223 3.236,1224 2.932,1225 2.931,1226 4.127,1227 2.914,1228 3.058,1229 3.147,1230 2.909,1231 2.836,1232 3.865,1233 2.847,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 3.805,1239 2.715,1240 2.808,1241 2.871,1242 2.68,1243 2.64,1244 3.674,1245 2.625,1246 0.183,1247 0.149,1248 0.303,1249 0.178,1250 0.14,1251 4.755,1252 0.16,1253 3.87,1254 0.084,1255 7.887,1256 0.566,1257 4.636,1258 0.139,1259 3.649,1260 4.153,1261 2.186,1262 14.705,1263 3.601,1264 1.905,1265 1.885,1266 2.014,1267 2.008,1268 1.31,1269 2.008,1270 1.88,1271 1.85,1272 1.998,1273 1.966,1274 1.061,1275 1.978,1276 1.605,1277 1.554,1278 1.809,1279 1.773,1280 0.996,1281 1.786,1282 1.435,1283 1.347,1284 1.689,1285 1.707,1286 0.927,1287 1.711,1288 1.199,1289 1.175,1290 1.361,1291 1.528,1292 0.47,1293 1.468,1294 0.979,1295 0.891,1296 1.311,1297 1.263,1298 0.28,1299 1.298,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.799,1307 0.736,1308 1.083,1309 1.039,1310 0.161,1311 1.046,1312 3.97,1314 5.323,1315 3.045,1316 6.872,1317 5.533,1318 8.517,1319 7.735,1320 10.218,1322 2.24,1328 2.06,1329 9.683,1330 5.439,1332 0.255,1334 0.046,1340 26.708,1341 63.953,1342 147.722,1343 184.213,1344 204.213,1345 209.722,1346 209.722,1347 31.028,1348 7.347,1349 62.39,1350 62.39,1351 22,1352 12.642,1353 3.807,1354 3,1355 32.034,1356 80,1357 79,1358 0.197,1359 161.743,1360 280.82,1361 386.412,1362 15192,1364 15.864,1365 0.69,1366 0.562,1367 15.864,1368 12.927,1369 11.149,1370 0.429,1371 0.301,1372 7.736,1373 10.767,1374 7.559,1375 6.247,1376 11.149,1377 7.834,1378 10.457,1379 0.275,1380 0.165,1381 10.457,1382 6.287,1383 8.933,1384 0.172,1385 0.092,1386 8.933,1387 4.767,1388 7.785,1389 0.11,1390 0.049,1391 7.785,1392 3.459,1393 6.036,1394 0.071,1395 0.026,1396 6.036,1397 2.216,1398 0.308,1399 69.557,1400 0.238,1401 22.595,1402 0.538,1403 128,1404 336.47,1405 140.637,1406 325.926,1407 454.2,1408 306,1409 154,1410 345.543,1411 165.644,1412 348.52,1413 514.24,1414 329,1415 6.636}
{0 CHEMBL309490,1 1.459,2 7.2,3 2.039,4 4.156,5 72.04,6 9.008,7 0.545,8 3.564,9 3.613,10 3.255,11 3.132,12 4.934,13 3.165,14 3.969,15 4.026,16 3.648,17 3.494,18 5.351,19 3.528,20 4.273,21 4.361,22 3.804,23 3.58,24 5.784,25 3.626,26 4.29,27 4.393,28 3.772,29 3.459,30 5.962,31 3.517,32 4.165,33 4.265,34 3.506,35 3.34,36 5.719,37 3.382,38 4.021,39 4.157,40 3.248,41 3.209,42 5.533,43 3.198,44 3.819,45 3.994,46 2.968,47 2.998,48 5.264,49 2.948,50 3.579,51 3.751,52 2.517,53 2.651,54 4.927,55 2.59,56 0.186,57 0.347,58 4.201,59 2.767,60 27.64,61 2.308,62 0.204,63 0.531,64 5.825,65 4.281,66 26.481,67 3.955,68 0.563,69 0.705,70 10.971,71 5.662,72 79.867,73 5.241,74 0.825,75 0.705,76 13.055,77 5.664,78 100.018,79 5.55,80 0.642,81 0.619,82 11.508,83 4.896,84 89.979,85 3.791,86 0.513,87 0.553,88 10.47,89 4.503,90 84.741,91 4.249,92 0.376,93 0.465,94 9.217,95 3.906,96 60.112,97 4.429,98 0.312,99 0.357,100 7.373,101 2.955,102 46.009,103 2.917,104 17,105 32,106 0.274,107 0.561,108 0.702,109 0.83,110 0.872,111 0.872,112 3.06,113 0.798,114 -2.99,115 -3,116 -2.89,121 50,140 2,144 7,145 2,146 3,159 1,176 6,180 4,185 4,187 9,192 2,195 2,197 2,200 3,205 1,206 6,209 3,210 1,211 4,214 2,219 3,223 1,224 4,227 4,232 2,235 1,237 3,239 5,244 1,248 1,249 4,251 4,261 4,264 2,274 2,277 1,281 394,282 13.276,283 13.276,284 13.276,285 13.276,286 13.276,287 11.368,288 11.667,289 7.684,290 13.451,291 10.83,292 10.83,293 10.83,294 10.83,295 10.83,296 7.977,297 15.444,298 3.64,299 11.166,300 3.448,301 1.919,302 1.172,303 0.492,304 0.267,305 0.267,306 3.733,310 1,311 1,312 1,313 308,314 2,318 143.884,322 76.852,325 1.04,326 36.306,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 45,338 144,339 4.641,340 3.755,341 6.924,342 4.262,343 3.287,344 4.286,345 0.86,346 11.543,347 3.206,348 4.223,349 3.028,350 6.364,351 3.793,352 2.819,353 3.818,355 9.601,356 2.741,357 3.758,358 2.974,359 5.582,360 3.362,361 2.375,362 3.191,364 7.098,365 2.332,366 3.431,367 2.356,368 5.08,369 2.973,370 2.022,371 2.756,373 5.856,374 1.915,375 3.289,376 2.286,377 4.999,378 2.889,379 1.955,380 2.53,382 5.679,383 1.81,384 3.034,385 2.064,386 4.499,387 2.606,388 1.627,389 2.177,391 4.166,392 1.581,393 2.651,394 1.497,395 3.626,396 2.145,397 1.166,398 1.637,400 2.776,401 1.13,402 2.5,403 1.129,404 3.247,405 2,406 1,407 1.5,409 2.136,410 1,411 1.65,412 1,413 3.223,414 1.285,415 0.366,416 0.427,418 0.914,419 0.328,420 1.325,421 0.526,422 3.046,423 0.922,424 -0.07,425 -0.094,427 -0.189,428 -0.068,429 1.012,430 -0.044,431 2.641,432 0.618,433 -0.327,434 -0.415,436 -0.876,437 -0.304,438 0.695,439 -0.081,440 2.333,441 0.322,442 -0.585,443 -0.677,445 -1.366,446 -0.516,447 0.5,448 -0.62,449 2.043,450 0.064,451 -0.87,452 -1.133,454 -2.02,455 -0.82,456 0.45,457 -0.743,458 1.555,460 -1,461 -1.5,463 -2.347,464 -1,465 0.129,466 -0.996,467 1.533,468 -0.298,469 -1.253,470 -1.528,472 -3.531,473 -1.14,474 9.167,475 0.458,476 0.597,477 0.03,478 29,479 1.45,480 16.5,481 0.825,482 12.5,483 0.625,484 11.764,485 0.588,486 20.833,487 0.694,488 21.408,489 1.07,490 6.025,491 0.301,492 3.551,493 0.178,494 0.145,496 0.436,501 0.947,502 0.787,503 0.719,504 0.761,505 0.928,506 0.682,507 0.746,508 1.146,509 0.653,510 1.118,511 0.648,512 0.927,513 0.954,514 1.102,515 0.832,516 1.079,517 0.887,518 0.957,519 0.862,520 1.012,521 0.798,522 0.998,523 0.791,524 0.909,525 1.514,526 0.951,527 1.286,528 0.94,529 1.423,530 0.998,531 1.149,532 0.985,533 1.236,534 1.003,535 1.285,536 1.11,537 0.754,538 1.032,539 1.044,540 1.062,541 0.926,542 1.138,543 1.254,544 1.111,545 1.488,546 1.149,547 1.357,548 1.335,549 4,551 2.444,552 2.125,553 1.751,554 0.764,555 0.447,556 0.205,557 0.074,558 0.031,559 3310,560 11626,561 2.048,562 33.3,564 7,567 3,572 1.624,573 1.875,574 2.859,575 1.103,577 1,578 1,579 1,582 43.774,583 1.459,584 2.988,585 3.735,586 4.415,587 4.64,588 4.64,589 2.246,590 3.622,591 4.295,592 2.957,593 561.775,594 7.371,595 5506.03,596 1,597 1,599 1,600 147.207,601 1.522,602 4.231,603 0.182,605 0.076,606 0.061,607 0.055,608 0.031,609 0.024,610 0.015,611 0.009,612 0.01,613 0.462,614 0.67,615 1,616 0.68,617 85.902,618 -0.177,619 0.187,620 -0.06,621 0.19,622 -0.215,623 0.135,624 -0.049,625 -0.184,626 0.014,627 -0.171,628 -0.035,629 -0.087,630 0.032,631 -0.139,632 0.036,633 -0.132,634 0.005,635 -0.072,636 0.295,637 -0.046,638 0.193,639 -0.048,640 0.262,641 0.009,642 -0.29,643 0.018,644 -0.315,645 0.004,646 -0.203,647 -0.116,648 -0.134,649 -0.018,650 -0.236,651 -0.037,652 -0.119,653 -0.136,654 0.072,655 -0.069,656 0.012,657 -0.073,658 0.072,659 -0.06,660 -0.259,661 -0.15,662 -0.392,663 -0.173,664 -0.277,665 -0.288,666 2.414,667 5.103,668 0.8,669 12.13,670 1.035,671 1.104,672 1.764,673 3.112,674 0.703,675 3.135,676 3.497,677 3.807,678 4.111,679 4.344,680 4.431,681 4.511,682 4.543,683 4.554,684 4.382,685 4.429,686 0.707,687 270.25,688 3.135,689 4.691,690 5.565,691 6.469,692 7.361,693 8.273,694 9.172,695 10.087,696 10.99,697 11.907,715 7,720 5,722 12,727 1,738 2,739 1,741 30,743 14,744 2,745 22,747 32,748 15,749 12,750 5,751 7,752 3,756 3,757 4,772 15,777 2,782 1,786 3,789 1,790 1,793 10,794 5,795 3,796 5,808 0.667,809 5,829 3,833 1,849 2,857 1,859 2,868 20,875 3,878 1,893 16.7,895 3,896 1,898 1,901 10.667,902 5.267,903 4.333,904 1.594,907 2.624,908 1.388,909 0.915,910 2.969,911 9.378,912 3.434,913 4.078,914 4.682,915 5.264,916 5.786,917 6.053,918 6.372,919 6.717,920 7.022,921 7.181,922 0.8,923 35,924 7.432,926 3.392,927 0.026,929 8.292,931 13.284,933 10.956,936 2.792,937 55.833,941 82.398,942 88.325,945 164.195,948 88.325,949 246.593,953 66.334,954 163.572,955 22.614,957 82.398,959 82.398,960 88.325,961 164.195,964 82.398,965 164.195,969 83.082,970 5.243,972 82.398,973 164.195,974 88.325,977 82.398,978 21.991,979 66.334,981 164.195,982 82.398,983 164.195,984 88.325,986 0.592,987 0.358,988 0.203,989 0.11,990 17,991 8,992 0.031,993 1,994 1,995 1.125,996 3.095,997 158.773,998 0.125,999 16,1000 82.439,1005 12.721,1006 4.667,1007 2.084,1009 164.195,1010 10.831,1015 -0.317,1017 128.05,1018 334.918,1019 30,1024 12.103,1028 -1.333,1031 31.055,1032 33.123,1034 0.297,1035 0.609,1036 0.761,1037 0.9,1038 0.946,1039 0.946,1040 4.682,1041 1,1042 5.58,1043 2.776,1044 4.174,1045 4.762,1046 0.908,1047 6.45,1048 4.112,1049 5.926,1050 0.366,1051 7.18,1052 2.136,1053 3.892,1054 4.649,1056 7.462,1057 3.789,1058 7.261,1059 -0.07,1060 8.883,1061 0.914,1062 5.82,1063 6.995,1064 0.739,1065 10.622,1066 5.708,1067 8.632,1068 -0.327,1069 10.645,1070 -0.189,1071 6.33,1072 7.655,1074 12.449,1075 6.182,1076 10.033,1077 -0.585,1078 12.445,1079 -0.876,1080 7.775,1081 9.503,1082 0.593,1083 15.147,1084 7.617,1085 11.457,1086 -0.87,1087 14.271,1088 -1.366,1089 8.65,1090 10.538,1092 17.317,1093 8.461,1094 12.899,1095 -1,1096 16.116,1097 -2.02,1098 9.916,1099 12.169,1100 0.469,1101 19.85,1102 9.711,1103 3.287,1104 -1.253,1105 17.976,1106 -2.347,1107 10.958,1108 13.398,1110 22.168,1111 10.724,1112 2.819,1113 11.543,1114 19.848,1115 -3.531,1116 12.159,1117 14.928,1118 0.366,1119 24.638,1120 11.906,1121 2.375,1122 9.601,1123 21.729,1124 4.286,1125 13.276,1126 16.257,1128 27.021,1129 12.996,1130 2.022,1131 7.098,1132 23.618,1133 3.818,1134 14.457,1135 17.739,1136 0.283,1137 29.469,1138 14.154,1139 1.955,1140 5.856,1141 25.513,1142 3.191,1143 15.608,1144 19.123,1146 31.882,1147 15.279,1148 1.627,1149 5.679,1150 27.413,1151 2.756,1152 16.784,1153 20.583,1154 0.217,1155 34.323,1156 16.432,1157 1.166,1158 4.166,1159 29.318,1160 2.53,1161 17.951,1162 21.994,1164 36.75,1165 17.574,1166 3282,1167 6250,1168 14.334,1169 21.08,1170 33.806,1171 35.14,1172 34.998,1173 33.285,1174 33.233,1175 44.64,1176 1.72,1177 99.537,1178 32.089,1179 5.502,1180 5.755,1181 6.726,1182 5.359,1183 5.287,1184 7.286,1185 1.72,1186 19.189,1187 5.206,1188 10.255,1189 1.537,1190 1.597,1191 1.591,1192 1.513,1193 1.511,1194 2.029,1195 0.078,1196 4.524,1197 1.459,1198 4.025,1199 4.026,1200 4,1201 3.937,1202 7.429,1203 3.949,1204 3.852,1205 3.873,1206 3.792,1207 3.791,1208 6.493,1209 3.789,1210 3.476,1211 3.474,1212 3.434,1213 3.327,1214 6.459,1215 3.351,1216 3.05,1217 3.05,1218 2.996,1219 2.853,1220 6.445,1221 2.88,1222 2.854,1223 2.925,1224 2.764,1225 2.735,1226 4.821,1227 2.715,1228 2.853,1229 2.883,1230 2.692,1231 2.705,1232 4.618,1233 2.712,1234 2.768,1235 2.769,1236 2.687,1237 2.486,1238 4.061,1239 2.521,1240 2.546,1241 2.544,1242 2.433,1243 2.131,1244 3.674,1245 2.216,1246 0.211,1247 0.171,1248 0.315,1249 0.194,1250 0.149,1251 4.641,1252 0.195,1253 3.755,1254 0.039,1255 6.924,1256 0.525,1257 4.262,1258 0.146,1259 3.287,1260 4.286,1261 0.86,1262 11.543,1263 3.206,1264 1.959,1265 1.953,1266 2.038,1267 2.062,1268 1.133,1269 2.047,1270 1.846,1271 1.828,1272 1.932,1273 1.933,1274 1.032,1275 1.939,1276 1.388,1277 1.387,1278 1.466,1279 1.577,1280 0.516,1281 1.537,1282 0.94,1283 0.93,1284 1.181,1285 1.205,1286 0.218,1287 1.158,1288 0.886,1289 0.821,1290 1.102,1291 1.062,1292 0.131,1293 1.107,1294 0.815,1295 0.781,1296 1.042,1297 1.013,1298 0.093,1299 1.015,1300 0.608,1301 0.592,1302 0.839,1303 0.979,1305 0.926,1306 0.294,1307 0.301,1308 0.592,1309 0.798,1311 0.72,1312 3.807,1314 5.153,1316 6.715,1318 8.381,1320 10.103,1327 29.099,1330 5.451,1340 21.208,1341 43.774,1342 89.639,1343 112.045,1344 132.452,1345 139.207,1346 139.207,1347 45.882,1348 6.755,1349 90.9,1350 90.9,1351 18,1352 12.42,1353 3.907,1354 3.17,1355 29.726,1356 55,1357 50,1358 0.29,1359 129.037,1360 232.01,1361 306.611,1362 6354,1364 14.276,1365 0.714,1366 0.51,1367 14.276,1368 10.2,1369 9.575,1370 0.435,1371 0.266,1372 5.761,1373 9.197,1374 5.679,1375 4.676,1376 9.575,1377 5.849,1378 8.907,1379 0.278,1380 0.135,1381 8.907,1382 4.313,1383 7.623,1384 0.173,1385 0.068,1386 7.623,1387 2.971,1388 6.716,1389 0.112,1390 0.034,1391 6.716,1392 2.06,1393 5.148,1394 0.068,1395 0.018,1396 5.148,1397 1.352,1398 0.429,1399 60.578,1400 0.264,1401 19.272,1402 0.877,1403 108,1404 385.92,1405 120.622,1406 366.903,1407 489.41,1408 338,1409 130,1410 356,1411 143.51,1412 356.802,1413 526.7,1414 336,1415 4.068}
{0 CHEMBL309667,1 1.576,2 7.222,3 1.461,4 2.135,5 68.867,6 7.067,7 0.3,8 3.674,9 3.806,10 3.197,11 3.142,12 4.713,13 3.135,14 4.25,15 4.434,16 3.62,17 3.595,18 5.313,19 3.559,20 4.51,21 4.718,22 3.623,23 3.746,24 5.46,25 3.67,26 4.582,27 4.831,28 3.383,29 3.666,30 5.514,31 3.544,32 4.382,33 4.655,34 3.227,35 3.419,36 5.295,37 3.297,38 4.118,39 4.348,40 2.957,41 3.147,42 5.072,43 3.045,44 3.921,45 4.178,46 2.869,47 2.916,48 4.954,49 2.827,50 3.779,51 4.016,52 2.58,53 2.694,54 4.985,55 2.622,56 0.041,57 0.531,58 7.99,59 2.989,60 6.079,61 4.252,62 0.34,63 0.862,64 15.41,65 5.292,66 30.33,67 7.688,68 0.199,69 1.031,70 20.319,71 6.959,72 25.239,73 10.173,74 0.346,75 0.989,76 23.037,77 6.935,78 40.454,79 10.465,80 0.248,81 0.765,82 19.023,83 5.993,84 29.827,85 9.091,86 0.29,87 0.569,88 14.696,89 4.395,90 26.779,91 6.307,92 0.205,93 0.476,94 12.027,95 3.495,96 22.119,97 5.307,98 0.319,99 0.404,100 10.775,101 2.261,102 38.487,103 3.555,104 13,105 30,106 0.294,107 0.668,108 0.849,109 0.885,110 0.885,111 0.885,112 2.962,113 0.926,114 -2.58,115 -2.6,116 -2.54,121 37.1,122 1,123 1,125 1,126 1,127 1,130 1,144 3,145 1,146 2,161 1,176 5,179 1,180 2,183 2,184 1,185 5,187 6,192 2,197 6,200 5,206 3,211 4,214 3,219 4,222 1,224 3,227 2,232 1,235 1,237 1,244 2,247 1,248 1,249 2,259 1,260 1,281 324,282 12.074,283 12.074,284 12.074,285 12.074,286 12.074,287 11.233,288 20.735,289 6.845,290 12.381,291 9.789,292 9.789,293 9.789,294 9.789,295 9.789,296 8.385,297 28.606,298 3.149,299 10.229,300 3.553,301 1.552,302 0.579,303 0.386,304 0.386,305 0.386,306 3.634,311 1,312 1,313 282,314 3.162,317 59.916,318 34.386,320 48.127,321 51.933,324 72.501,325 1.111,326 16.117,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 39.5,338 130,339 4.755,340 3.87,341 7.887,342 4.636,343 3.649,344 4.153,345 2.186,346 14.705,347 3.601,348 3.956,349 3.656,350 5.984,351 3.602,352 2.653,353 3.281,354 0.647,355 8.238,356 2.52,357 3.623,358 2.716,359 5.403,360 3.278,361 2.32,362 2.835,363 0.366,364 6.999,365 2.193,366 3.293,367 2.333,368 5.249,369 2.922,370 1.964,371 2.495,372 0.247,373 5.9,374 1.871,375 2.964,376 2.205,377 4.731,378 2.761,379 1.815,380 2.041,382 5.107,383 1.708,384 2.42,385 1.321,386 4.116,387 2.11,388 1.139,389 1.401,391 2.971,392 1.104,393 2.14,394 1.119,395 3.647,396 2.037,397 1.06,398 1.135,400 2.504,401 1.033,402 1.552,403 1.106,404 3.151,405 1.358,406 0.451,407 0.48,409 0.897,410 0.406,411 1.431,412 0.795,413 2.934,414 1.147,415 0.188,416 0.212,418 0.343,419 0.178,420 0.952,421 0.309,422 2.781,423 0.651,424 -0.312,425 -0.367,427 -0.778,428 -0.296,429 0.609,430 -0.311,431 2.331,432 0.271,433 -0.711,434 -0.792,436 -1.883,437 -0.691,438 0.509,439 -0.649,440 2.263,441 0.161,442 -0.828,443 -1.077,445 -2.596,446 -0.818,447 0.099,448 -0.712,449 2,450 -0.101,451 -1.08,452 -1.303,454 -2.883,455 -1.046,456 -0.203,457 -0.974,458 1.86,459 -0.437,460 -1.4,461 -1.622,463 -3.292,464 -1.366,465 -0.492,466 -1.209,467 1.581,468 -0.592,469 -1.57,470 -1.708,472 -4.54,473 -1.474,474 8.367,475 0.465,476 0.541,477 0.03,478 20.75,479 1.153,480 8.5,481 0.472,482 12.25,483 0.681,484 14.312,485 0.795,486 20.433,487 0.584,488 13.323,489 0.74,490 3.965,491 0.22,492 4.667,493 0.259,494 0.159,495 0.06,496 0.299,501 0.878,502 1.415,503 0.838,504 1.155,505 0.637,506 0.999,507 0.588,508 0.94,509 0.795,510 0.894,511 0.413,512 0.872,513 0.95,514 1.255,515 1.009,516 1.189,517 0.678,518 1.123,519 1.169,520 1.001,521 1.178,522 1.053,523 1.028,524 1.104,525 0.766,526 0.977,527 0.828,528 1.015,529 0.846,530 0.947,531 1.483,532 1.012,533 1.181,534 1.065,535 1.189,536 1.092,537 0.959,538 1.096,539 0.847,540 1.053,541 1.161,542 0.963,543 2.013,544 0.821,545 1.503,546 0.84,547 3.282,548 1.045,549 5,551 2.889,552 1.924,553 0.796,554 0.497,555 0.36,556 0.225,557 0.094,558 0.025,559 2587,560 6604,561 2.073,562 48.6,563 3,564 8,565 1,567 3,569 2,572 1.589,573 1.912,574 2.839,575 1.197,577 1,578 1,579 1,582 55.177,583 1.576,584 3.577,585 4.55,586 4.743,587 4.743,588 4.743,589 2.224,590 4.059,591 4.14,592 2.951,593 451.431,594 7.036,595 4116.12,596 1,597 1,599 1,600 179.525,601 1.676,602 4.078,603 0.25,605 0.096,606 0.066,607 0.038,608 0.028,609 0.028,610 0.019,611 0.012,612 0.012,613 0.549,614 0.67,615 1,616 1.357,617 74.771,618 -0.09,619 -0.115,620 0.047,621 -0.018,622 -0.066,623 0.037,624 0.289,625 0.239,626 0.133,627 0.162,628 0.232,629 0.13,630 -0.096,631 -0.19,632 -0.081,633 -0.139,634 0.009,635 -0.112,636 -0.195,637 -0.028,638 -0.211,639 -0.087,640 -0.11,641 -0.139,642 0.089,643 -0.085,644 0.139,645 -0.041,646 0.035,647 0.045,648 -0.142,649 -0.114,650 -0.167,651 -0.099,652 -0.179,653 -0.141,654 0.145,655 -0.204,656 0.156,657 -0.114,658 0.102,659 -0.008,660 -0.312,661 0.147,662 -0.418,663 -0.035,664 -0.429,665 -0.222,666 2.104,667 4.228,668 0.667,669 11,670 1.004,671 1.138,672 1.349,673 1.82,674 0.636,675 3.045,676 3.434,677 3.761,678 4.06,679 4.248,680 4.344,681 4.522,682 4.554,683 4.443,684 4.369,685 4.366,686 0.605,687 247.33,688 3.045,689 4.615,690 5.501,691 6.425,692 7.339,693 8.272,694 9.199,695 10.136,696 11.07,697 12.01,698 8.6,700 1,703 1,705 1,715 3,720 3,722 6,734 1,737 1,741 35,743 7,744 1,745 20,747 37,748 13,749 6,750 3,751 3,756 3,757 6,763 1,764 1,766 1,767 1,770 1,772 7,773 6,777 1,782 1,786 1,790 1,793 17,794 5,795 3,796 5,802 3,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,853 1,859 1,864 2,868 18,876 2,877 3,878 1,880 1,882 1,893 5.7,896 1,898 1,901 9.417,902 6.667,903 3.903,904 2.069,907 1.329,908 1.199,909 0.956,910 2.716,911 7.996,912 3.219,913 3.773,914 4.28,915 4.807,916 5.293,917 5.516,918 5.874,919 6.083,920 6.015,921 5.98,922 0.8,923 29,924 6.656,926 2.875,927 0.026,929 7.736,931 12.837,933 10.947,936 2.236,937 40.25,938 0.002,941 164.795,942 68.239,943 54.032,945 36.145,948 68.239,949 200.94,950 54.032,951 17.222,952 22.651,953 46.439,954 43.156,955 22.186,956 18.534,957 153.024,959 164.795,960 122.271,961 36.145,964 141.253,965 59.687,968 49.487,969 54.773,970 18.011,972 164.795,973 90.177,974 68.239,977 164.795,978 22.588,979 45.65,980 54.032,981 36.145,982 164.795,983 90.177,984 68.239,986 0.595,987 0.36,988 0.187,989 0.097,990 17,991 7,992 0.054,993 2,994 2,995 1.333,996 2.983,997 136.392,998 0.333,999 12,1000 75.059,1005 11.81,1006 4.14,1007 1.799,1009 90.177,1010 5.745,1015 2.932,1017 54.032,1018 323.211,1019 24,1024 11.228,1028 -0.438,1031 35.145,1032 39.82,1034 0.307,1035 0.697,1036 0.887,1037 0.925,1038 0.925,1039 0.925,1040 4.516,1041 0.451,1042 5.557,1043 2.504,1044 4.111,1045 4.454,1046 2.351,1047 6.506,1048 4.034,1049 5.734,1050 0.188,1051 7.213,1052 0.897,1053 4.007,1054 4.425,1055 1.784,1056 7.968,1057 3.937,1058 7.084,1059 -0.312,1060 8.994,1061 0.343,1062 5.889,1063 6.574,1064 3.501,1065 11.1,1066 5.768,1067 8.473,1068 -0.711,1069 10.856,1070 -0.778,1071 6.635,1072 7.316,1073 3.59,1074 13.432,1075 6.532,1076 9.9,1077 -0.828,1078 12.775,1079 -1.883,1080 8.078,1081 9.029,1082 4.906,1083 16.225,1084 7.946,1085 11.353,1086 -1.08,1087 14.734,1088 -2.596,1089 9.17,1090 10.11,1091 5.289,1092 18.817,1093 9.048,1094 12.828,1095 -1.4,1096 16.722,1097 -2.883,1098 10.492,1099 11.663,1100 6.387,1101 21.532,1102 10.354,1103 3.649,1104 -1.57,1105 18.732,1106 -3.292,1107 11.713,1108 12.909,1109 6.93,1110 24.194,1111 11.574,1112 2.653,1113 14.705,1114 20.757,1115 -4.54,1116 13.007,1117 14.393,1118 7.902,1119 26.89,1120 12.856,1121 2.32,1122 8.238,1123 22.793,1124 4.153,1125 14.274,1126 15.722,1127 8.539,1128 29.571,1129 14.116,1130 1.964,1131 6.999,1132 24.838,1133 3.281,1134 15.564,1135 17.174,1136 9.436,1137 32.261,1138 15.395,1139 1.815,1140 5.9,1141 26.888,1142 2.835,1143 16.847,1144 18.548,1145 10.13,1146 34.947,1147 16.668,1148 1.139,1149 5.107,1150 28.942,1151 2.495,1152 18.138,1153 19.985,1154 10.981,1155 37.636,1156 17.947,1157 1.06,1158 2.971,1159 30.999,1160 2.041,1161 19.428,1162 21.381,1163 11.71,1164 40.323,1165 19.225,1166 2596,1167 4215,1168 13.118,1169 22.256,1170 30.669,1171 31.762,1172 32.335,1173 30.422,1174 30.481,1175 36.064,1176 6.894,1177 95.33,1178 29.229,1179 5.717,1180 5.87,1181 7.438,1182 5.7,1183 5.649,1184 7.153,1185 3.889,1186 22.9,1187 5.601,1188 8.609,1189 1.533,1190 1.588,1191 1.617,1192 1.521,1193 1.524,1194 1.803,1195 0.345,1196 4.767,1197 1.461,1198 4.072,1199 4.11,1200 4.017,1201 3.98,1202 7.435,1203 3.984,1204 3.691,1205 3.732,1206 3.609,1207 3.545,1208 4.851,1209 3.548,1210 3.507,1211 3.575,1212 3.408,1213 3.204,1214 4.477,1215 3.247,1216 3.139,1217 3.239,1218 2.961,1219 2.938,1220 4.22,1221 2.922,1222 3.1,1223 3.183,1224 2.909,1225 2.862,1226 4.014,1227 2.87,1228 2.918,1229 2.974,1230 2.724,1231 2.642,1232 3.808,1233 2.637,1234 2.775,1235 2.849,1236 2.579,1237 2.592,1238 3.619,1239 2.598,1240 2.617,1241 2.717,1242 2.429,1243 2.386,1244 3.491,1245 2.389,1246 0.238,1247 0.193,1248 0.394,1249 0.232,1250 0.182,1251 4.755,1252 0.208,1253 3.87,1254 0.109,1255 7.887,1256 0.735,1257 4.636,1258 0.18,1259 3.649,1260 4.153,1261 2.186,1262 14.705,1263 3.601,1264 1.901,1265 1.882,1266 2.002,1267 1.99,1268 1.31,1269 1.991,1270 1.606,1271 1.555,1272 1.811,1273 1.78,1274 0.996,1275 1.79,1276 1.438,1277 1.354,1278 1.692,1279 1.745,1280 0.927,1281 1.727,1282 1.394,1283 1.316,1284 1.685,1285 1.684,1286 0.681,1287 1.694,1288 1.01,1289 0.94,1290 1.352,1291 1.305,1292 0.47,1293 1.319,1294 0.852,1295 0.777,1296 1.104,1297 1.188,1298 0.162,1299 1.176,1300 0.788,1301 0.722,1302 1.064,1303 0.978,1304 0.153,1305 1.014,1306 0.661,1307 0.6,1308 0.939,1309 0.949,1311 0.961,1312 3.714,1314 5.081,1315 3.045,1316 6.65,1317 5.533,1318 8.318,1319 7.735,1320 10.045,1322 3.787,1328 2.092,1329 9.358,1330 5.184,1332 0.28,1334 0.081,1340 21.181,1341 55.177,1342 125.206,1343 159.26,1344 166.015,1345 166.015,1346 166.015,1347 23.881,1348 6.667,1349 62.39,1350 62.39,1351 16,1352 12.507,1353 3,1354 2.322,1355 25.727,1356 47,1357 52,1358 0.287,1359 129.956,1360 225.5,1361 308.854,1362 5652,1364 12.751,1365 0.708,1366 0.586,1367 12.751,1368 10.54,1369 8.631,1370 0.432,1371 0.309,1372 6.067,1373 8.229,1374 5.884,1375 4.879,1376 8.631,1377 6.174,1378 8.125,1379 0.271,1380 0.168,1381 8.125,1382 5.046,1383 7.17,1384 0.171,1385 0.094,1386 7.17,1387 3.951,1388 5.864,1389 0.103,1390 0.05,1391 5.864,1392 2.845,1393 4.614,1394 0.067,1395 0.027,1396 4.614,1397 1.852,1398 0.429,1399 54.601,1400 0.276,1401 17.655,1402 0.846,1403 100,1404 276.47,1405 111.971,1406 262.5,1407 362.11,1408 246,1409 122,1410 272.698,1411 132.978,1412 273.326,1413 405.3,1414 257,1415 7.963}
{0 CHEMBL310467,1 1.249,2 13.533,3 5.98,4 35.757,5 127.663,6 6.131,7 0.364,8 4.237,9 4.375,10 3.647,11 3.805,12 5.111,13 3.732,14 4.848,15 5.059,16 3.97,17 4.229,18 5.63,19 4.12,20 5.193,21 5.444,22 4.09,23 4.447,24 5.941,25 4.301,26 5.292,27 5.563,28 3.969,29 4.457,30 6.011,31 4.271,32 5.263,33 5.554,34 3.908,35 4.395,36 5.967,37 4.2,38 5.161,39 5.442,40 3.793,41 4.282,42 5.917,43 4.091,44 5.039,45 5.309,46 3.678,47 4.144,48 5.887,49 3.962,50 4.921,51 5.201,52 3.493,53 4.032,54 5.646,55 3.831,56 0.073,57 0.914,58 16.073,59 6.796,60 8.581,61 9.732,62 0.194,63 1.572,64 29.486,65 11.341,66 17.079,67 16.722,68 0.281,69 2.067,70 41.045,71 15.919,72 32.697,73 23.292,74 0.312,75 2.175,76 44.836,77 17.643,78 38.522,79 25.622,80 0.331,81 2.059,82 43.203,83 17.324,84 36.398,85 25.074,86 0.282,87 1.838,88 39.216,89 15.524,90 35.398,91 22.261,92 0.362,93 1.592,94 35.172,95 13.483,96 48.552,97 19.099,98 0.237,99 1.44,100 30.801,101 12.114,102 33.033,103 17.401,104 6,105 44,106 0.2,107 0.467,108 0.702,109 0.836,110 0.849,111 0.849,112 3.44,113 1.082,114 -5.9,115 -5.76,116 -5.36,121 40.9,122 1,123 7,124 1,127 5,144 8,145 3,146 1,159 1,176 17,180 9,187 18,192 10,200 14,206 6,214 14,218 1,219 6,227 18,232 2,239 15,243 1,244 5,251 14,256 4,264 11,269 2,277 9,281 1500,282 20.8,283 20.8,284 20.8,285 20.8,286 20.8,287 19.258,288 25.353,289 12.533,290 21.019,291 16.253,292 16.253,293 16.253,294 16.253,295 16.253,296 13.876,297 28.671,298 5.908,299 16.555,300 4.795,301 3.124,302 1.659,303 0.822,304 0.739,305 0.739,306 4.143,312 1,313 885,314 3.24,318 290.992,319 104.207,323 157.607,325 2.231,326 16.702,329 0.75,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.94,337 62,338 406,339 4.389,340 3.609,341 6.536,342 4.054,343 3.076,344 4.011,345 1.277,346 10.318,347 3.02,348 3.951,349 3.237,350 5.974,351 3.716,352 2.738,353 3.457,354 0.916,355 8.386,356 2.701,357 3.937,358 3.017,359 5.616,360 3.65,361 2.657,362 3.274,363 0.8,364 7.785,365 2.613,366 3.597,367 2.557,368 5.329,369 3.452,370 2.453,371 2.635,372 0.172,373 6.94,374 2.449,375 3.292,376 2.446,377 5.206,378 3.089,379 2.13,380 2.41,382 6.216,383 2.033,384 3.176,385 2.225,386 4.955,387 3.024,388 2.067,389 2.248,391 5.867,392 1.967,393 2.891,394 1.98,395 4.268,396 2.648,397 1.646,398 1.977,400 4.006,401 1.648,402 2.809,403 1.585,404 4.043,405 2.436,406 1.436,407 1.87,409 3.437,410 1.435,411 2.661,412 1.52,413 3.592,414 2.379,415 1.371,416 1.683,418 3.038,419 1.378,420 2.5,421 1.158,422 3.539,423 2.082,424 1.096,425 1.5,427 2.592,428 1.08,429 2.389,430 1.089,431 3.414,432 2,433 1,434 1.367,436 2.275,437 1,438 2,439 1.077,440 3.247,441 1.984,442 1,443 1,445 2.136,446 0.983,447 1.766,448 1,449 3.127,450 1.649,451 0.652,452 0.689,454 1.401,455 0.648,456 1.65,457 0.735,458 2.912,459 1.529,460 0.522,461 0.572,463 1.023,464 0.523,465 1.216,466 0.374,467 2.759,468 1.038,469 0.055,470 0.061,472 0.136,473 0.054,474 14.633,475 0.488,476 0.533,477 0.018,478 32.25,479 1.075,480 14,481 0.467,482 18.25,483 0.608,484 32.002,485 1.067,486 33.367,487 0.506,488 21.08,489 0.703,490 5.629,491 0.188,492 9.095,493 0.303,494 0.057,496 0.26,501 0.725,502 1.357,503 0.987,504 1.183,505 0.544,506 1.113,507 1.088,508 1.151,509 1.082,510 1.066,511 0.588,512 1.061,513 1.102,514 1.063,515 1.036,516 1.024,517 0.857,518 1.02,519 1.122,520 1.073,521 1.093,522 1.082,523 1.106,524 1.085,525 0.82,526 0.949,527 0.939,528 0.977,529 0.96,530 0.969,531 1.231,532 0.995,533 1.026,534 1.035,535 1.539,536 1.023,537 1.842,538 0.965,539 1.113,540 1.002,541 2.563,542 1.021,543 1.407,544 1.041,545 1.091,546 1.039,547 1.777,548 1.053,549 5,550 0.106,551 2.889,552 1.375,553 1.362,554 0.972,555 0.49,556 0.276,557 0.224,558 0.153,559 13856,560 24691,561 2.128,562 54.5,563 7,564 18,568 2,569 9,572 1.721,573 2.045,574 3.695,575 -0.891,582 82.431,583 1.249,584 2.92,585 4.386,586 5.222,587 5.306,588 5.306,589 3.127,590 4.374,591 4.879,592 3.908,593 1699.79,594 8.471,595 25032,600 398.93,601 1.159,602 4.862,603 0.152,604 0.004,605 0.066,606 0.029,607 0.034,608 0.026,609 0.015,610 0.01,611 0.009,612 0.006,613 0.35,614 0.5,615 0.88,616 0.588,617 157.921,618 0.06,619 -0.129,620 0.069,621 -0.025,622 0.032,623 0.013,624 -0.07,625 0.001,626 -0.041,627 -0.021,628 0.019,629 -0.025,630 -0.05,631 -0.009,632 -0.025,633 -0.018,634 0.03,635 -0.018,636 -0.072,637 -0.079,638 -0.101,639 -0.093,640 -0.044,641 -0.098,642 0.094,643 0.007,644 0.032,645 0.002,646 0.012,647 0.012,648 -0.028,649 -0.042,650 -0.036,651 -0.055,652 -0.079,653 -0.046,654 -0.054,655 -0.022,656 -0.086,657 -0.03,658 -0.164,659 -0.059,660 -0.115,661 -0.095,662 -0.097,663 -0.062,664 -0.171,665 -0.08,666 1.343,667 5.931,668 0.767,669 34,670 0.978,671 1.125,672 4.669,673 21.801,674 0.643,675 3.526,676 3.807,677 4.06,678 4.277,679 4.522,680 4.564,681 4.615,682 4.682,683 4.736,684 4.812,685 8.029,686 0.587,687 404.65,688 3.526,689 5.043,690 5.878,691 6.73,692 7.579,693 8.436,694 9.291,695 10.151,696 11.009,697 11.87,698 3,701 1,704 1,715 8,720 4,722 12,727 1,736 1,741 66,743 13,744 2,745 33,747 69,748 27,749 12,750 4,751 8,752 1,756 4,757 5,763 1,767 5,768 1,770 7,772 13,773 14,774 1,777 1,782 1,786 1,793 36,794 3,796 3,802 2,808 0.75,809 1,829 3,830 1,834 1,855 1,859 3,864 1,868 30,876 12,880 1,881 2,893 1.5,896 1,901 14.667,902 11.817,903 6.75,904 4.647,907 2.021,908 1.26,909 0.975,910 7.358,911 9.784,912 3.714,913 4.19,914 4.673,915 5.13,916 5.618,917 5.697,918 5.892,919 5.97,920 6.068,921 6.208,922 0.889,923 48,924 11.218,926 4.695,927 0.026,929 7.389,931 22.693,933 19.31,936 1.889,937 56.667,941 423.76,942 130.352,943 6.249,945 25.145,948 130.352,949 448.905,950 6.249,951 8.825,952 28.27,953 75.81,954 30.278,955 18.562,957 423.76,959 423.76,960 136.601,961 25.145,964 317.82,965 131.085,968 40.22,969 96.381,972 423.76,973 31.394,974 130.352,977 423.76,978 45.717,979 90.884,981 25.145,982 423.76,983 31.394,984 130.352,986 0.568,987 0.334,988 0.179,989 0.101,990 20,991 8,992 0.101,993 7,994 1,995 1.087,996 4.311,997 256,998 0.087,999 23,1000 137.207,1005 21.278,1006 10.374,1007 5.604,1009 31.394,1010 17.203,1015 5.026,1018 585.506,1019 40,1024 12.931,1028 0.324,1031 64.552,1032 74.264,1034 0.207,1035 0.483,1036 0.726,1037 0.864,1038 0.878,1039 0.878,1040 4.942,1041 1.436,1042 5.826,1043 4.006,1044 4.489,1045 4.875,1046 1.906,1047 6.578,1048 4.456,1049 6.076,1050 1.371,1051 7.344,1052 3.437,1053 3.892,1054 4.443,1055 0.57,1056 7.357,1057 3.836,1058 7.338,1059 1.096,1060 8.961,1061 3.038,1062 6.023,1063 6.882,1064 2.047,1065 10.432,1066 5.955,1067 8.63,1068 1,1069 10.639,1070 2.592,1071 6.275,1072 7.302,1073 0.581,1074 12.067,1075 6.186,1076 9.958,1077 1,1078 12.356,1079 2.275,1080 7.817,1081 9.205,1082 2.367,1083 14.635,1084 7.716,1085 11.309,1086 0.652,1087 14.102,1088 2.136,1089 8.48,1090 10.041,1091 0.515,1092 16.641,1093 8.36,1094 12.68,1095 0.522,1096 15.867,1097 1.401,1098 9.765,1099 11.703,1100 2.767,1101 19.038,1102 9.631,1103 3.076,1104 0.055,1105 17.649,1106 1.023,1107 10.639,1108 12.762,1109 0.441,1110 21.215,1111 10.487,1112 2.738,1113 10.318,1114 19.442,1115 0.136,1116 11.809,1117 14.298,1118 3.207,1119 23.556,1120 11.642,1121 2.657,1122 8.386,1123 21.246,1124 4.011,1125 12.793,1126 15.486,1127 0.373,1128 25.812,1129 12.606,1130 2.453,1131 7.785,1132 23.059,1133 3.457,1134 13.915,1135 16.954,1136 3.669,1137 28.137,1138 13.712,1139 2.13,1140 6.94,1141 24.879,1142 3.274,1143 14.955,1144 18.218,1145 0.314,1146 30.431,1147 14.732,1148 2.067,1149 6.216,1150 26.706,1151 2.635,1152 16.06,1153 19.647,1154 4.143,1155 32.754,1156 15.82,1157 1.646,1158 5.867,1159 28.539,1160 2.41,1161 17.13,1162 20.959,1163 0.264,1164 35.067,1165 16.87,1166 12981,1167 17423,1168 22.652,1169 42.41,1170 48.083,1171 49.002,1172 49.036,1173 47.825,1174 47.796,1175 57.506,1176 6.333,1177 131.111,1178 47.064,1179 5.389,1180 5.609,1181 6.338,1182 5.089,1183 5.076,1184 7.011,1185 2.555,1186 17.032,1187 5.02,1188 10.213,1189 1.457,1190 1.485,1191 1.486,1192 1.449,1193 1.448,1194 1.743,1195 0.192,1196 3.973,1197 1.426,1198 4.034,1199 4.072,1200 3.968,1201 3.952,1202 7.427,1203 3.951,1204 3.941,1205 3.986,1206 3.859,1207 3.861,1208 4.76,1209 3.856,1210 3.827,1211 3.873,1212 3.712,1213 3.725,1214 4.699,1215 3.714,1216 3.66,1217 3.712,1218 3.545,1219 3.523,1220 4.317,1221 3.518,1222 3.478,1223 3.557,1224 3.326,1225 3.312,1226 4.185,1227 3.305,1228 3.442,1229 3.513,1230 3.26,1231 3.282,1232 3.97,1233 3.266,1234 3.214,1235 3.275,1236 3.081,1237 3.057,1238 3.893,1239 3.053,1240 3.111,1241 3.206,1242 2.87,1243 2.941,1244 3.696,1245 2.91,1246 0.133,1247 0.109,1248 0.198,1249 0.123,1250 0.093,1251 4.389,1252 0.122,1253 3.609,1254 0.039,1255 6.536,1256 0.313,1257 4.054,1258 0.092,1259 3.076,1260 4.011,1261 1.277,1262 10.318,1263 3.02,1264 1.959,1265 1.933,1266 2.107,1267 2.076,1268 1.485,1269 2.089,1270 1.928,1271 1.893,1272 2.048,1273 2.031,1274 1.314,1275 2.037,1276 1.833,1277 1.785,1278 2.007,1279 1.948,1280 1.231,1281 1.97,1282 1.698,1283 1.63,1284 1.949,1285 1.885,1286 1.162,1287 1.913,1288 1.538,1289 1.482,1290 1.79,1291 1.734,1292 1.025,1293 1.752,1294 1.414,1295 1.336,1296 1.707,1297 1.615,1298 0.917,1299 1.653,1300 1.221,1301 1.157,1302 1.513,1303 1.428,1304 0.825,1305 1.451,1306 1.153,1307 1.064,1308 1.489,1309 1.376,1310 0.725,1311 1.429,1312 4.205,1314 5.493,1316 6.974,1317 2.708,1318 8.54,1319 5.198,1320 10.149,1322 2.216,1328 13.277,1332 0.689,1333 5.001,1340 38.713,1341 82.431,1342 192.714,1343 289.446,1344 344.665,1345 350.175,1346 350.175,1347 49.949,1348 7.763,1349 23.55,1350 23.55,1351 25,1352 12.42,1353 3.807,1354 3,1355 47.459,1356 147,1357 142,1358 0.155,1359 237.283,1360 416.73,1361 570.731,1362 29496,1364 20.761,1365 0.692,1366 0.616,1367 20.761,1368 18.484,1369 14.725,1370 0.446,1371 0.361,1372 11.826,1373 14.446,1374 11.524,1375 9.551,1376 14.725,1377 11.9,1378 12.631,1379 0.287,1380 0.206,1381 12.631,1382 9.047,1383 10.811,1384 0.19,1385 0.123,1386 10.811,1387 6.99,1388 8.673,1389 0.122,1390 0.071,1391 8.673,1392 5.065,1393 7.296,1394 0.08,1395 0.042,1396 7.296,1397 3.848,1398 0.253,1399 90.113,1400 0.21,1401 29.064,1402 0.401,1403 154,1404 315.026,1405 160.6,1406 312.731,1407 435.4,1408 296,1409 178,1410 319.566,1411 185.489,1412 328.034,1413 478.08,1414 311,1415 6.425}
{0 CHEMBL310555,1 1.493,2 4.273,3 1.749,4 3.059,5 41.673,6 8.065,7 0.917,8 3.023,9 3.113,10 2.659,11 2.651,12 4.27,13 2.639,14 3.419,15 3.536,16 2.959,17 2.975,18 4.633,19 2.948,20 3.629,21 3.803,22 2.956,23 2.984,24 4.873,25 2.937,26 3.483,27 3.693,28 2.549,29 2.684,30 4.679,31 2.609,32 3.141,33 3.368,34 1.757,35 2.221,36 4.229,37 2.06,38 2.578,39 2.929,40 0.459,41 1.409,42 3.178,43 1.096,44 1.298,45 1.682,46 0.021,47 0.361,48 1.386,49 0.189,56 0.025,57 0.231,58 3.059,59 1.546,60 5.639,61 1.764,62 0.018,63 0.358,64 4.715,65 2.333,66 4.916,67 2.811,68 0.105,69 0.434,70 7.173,71 2.981,72 16.389,73 3.734,74 0.084,75 0.373,76 6.793,77 2.535,78 14.361,79 3.124,80 0.087,81 0.241,82 5.239,83 1.989,84 15.889,85 2.405,86 0.049,87 0.132,88 3.768,89 1.311,90 9.028,91 1.917,92 0.012,93 0.029,94 1.035,95 0.321,96 2.083,97 0.531,104 2,105 16,106 0.324,107 0.577,108 0.74,109 0.88,110 0.904,111 0.904,112 2.528,113 0.851,114 -3.19,115 -3.19,116 -3.06,121 50,144 5,145 1,146 1,147 1,148 1,176 5,180 2,185 1,187 4,192 3,195 1,197 2,200 3,206 1,211 2,214 2,224 1,227 1,281 71,282 7.552,283 7.552,284 7.552,285 7.552,286 7.552,287 6.213,288 2.157,289 4.569,290 7.645,291 5.922,292 5.922,293 5.922,294 5.922,295 5.922,296 4.028,297 1.163,298 2.145,299 6.089,300 2.677,301 1.507,302 0.756,303 0.111,306 3.157,312 1,313 99,314 1.225,318 39.689,322 34.168,325 0.661,326 8.679,329 1,330 0.67,331 0.83,332 0.6,334 1,335 1,336 0.73,337 23.5,338 47,339 4.478,340 3.08,341 6.453,342 3.977,343 3.003,344 4.421,346 9.943,347 2.922,348 3.447,349 2.185,350 5.034,351 2.985,352 2.015,353 2.85,355 5.69,356 1.947,357 3.118,358 1.618,359 4.092,360 2.586,361 1.618,362 2.427,364 3.731,365 1.565,366 2.767,367 1.277,368 3.583,369 2.258,370 1.27,371 1.9,373 2.814,374 1.254,375 2.332,376 0.98,377 3.246,378 1.825,379 0.876,380 1.257,382 1.968,383 0.827,384 1.173,385 0.032,386 2.367,387 0.725,388 -0.215,389 -0.284,391 -0.48,392 -0.199,393 0.882,394 -0.618,395 2,396 0.36,397 -0.618,398 -0.927,400 -1.478,401 -0.603,402 0.541,403 -0.806,404 2,405 0.057,406 -0.903,407 -1.277,409 -2.121,410 -0.861,411 -0.007,412 -1.25,413 1.262,414 -0.437,415 -1.385,416 -1.91,418 -3.453,419 -1.316,420 -0.231,421 -1.637,422 1.176,423 -0.7,424 -1.662,425 -2.456,427 -4.585,428 -1.596,429 -0.5,430 -2,431 0.476,432 -1,433 -2,434 -3,436 -5.356,437 -1.94,438 -0.5,439 -2,440 0.311,441 -1.038,442 -2,443 -3,445 -6.671,446 -2,474 5.233,475 0.476,476 0.209,477 0.019,478 17.25,479 1.568,480 10.5,481 0.955,482 6.75,483 0.614,484 4.357,485 0.396,486 10.967,487 0.609,488 8.715,489 0.792,490 3.543,491 0.322,492 1.834,493 0.167,494 0.064,496 0.287,501 0.938,502 0.967,503 0.743,504 0.813,505 0.993,506 0.763,507 0.712,508 1.163,509 0.832,510 1.048,511 0.663,512 0.97,513 0.856,514 1.084,515 0.908,516 1.02,517 0.863,518 0.983,519 1.283,520 1.011,521 1.18,522 1.081,523 1.135,524 1.092,525 1.587,526 1.006,527 1.522,528 1.21,529 1.726,530 1.343,531 0.693,532 0.646,533 0.925,534 0.792,535 0.823,536 0.89,549 1.5,551 1.333,552 0.688,553 0.436,554 0.063,559 618,560 1811,561 2.097,562 38.9,564 5,566 1,567 1,572 1.432,573 2,574 2.255,575 -0.206,582 26.878,583 1.493,584 2.663,585 3.414,586 4.059,587 4.17,588 4.17,589 1.495,590 3.278,591 3.443,592 2.165,593 119.068,594 5.628,595 787.947,600 75.059,601 1.241,602 3.407,603 0.125,605 0.083,606 0.046,607 0.048,608 0.021,613 0.323,614 1,615 1,616 0.629,617 35.478,618 -0.129,619 0.004,620 -0.008,621 0.092,622 -0.195,623 0.063,624 -0.044,625 -0.178,626 -0.076,627 -0.157,628 -0.047,629 -0.127,630 0.113,631 -0.116,632 0.003,633 -0.103,634 0.079,635 -0.079,636 -0.167,637 -0.032,638 -0.189,639 -0.162,640 -0.044,641 -0.164,642 -0.297,643 -0.146,644 -0.463,645 -0.233,646 -0.341,647 -0.353,648 0.077,649 0.158,650 0.362,651 0.31,652 0.04,653 0.363,654 0.452,655 0.81,656 1.527,657 1.214,658 0.524,659 1.487,666 1.428,667 3.309,668 0.909,669 3.223,670 1.004,671 1.109,672 1.964,673 3.857,674 0.708,675 2.565,676 2.833,677 3.091,678 3.296,679 3.434,680 3.178,681 3.045,682 2.89,683 2.773,684 1.386,685 2.796,686 0.684,687 145.17,688 2.565,689 4.043,690 4.875,691 5.727,692 6.575,693 7.432,694 8.283,695 9.141,696 9.993,697 10.851,698 5.6,708 1,714 2,715 6,716 1,720 1,722 11,738 1,741 18,743 11,744 1,745 12,747 19,748 9,749 9,750 3,751 3,756 2,757 3,772 9,793 7,794 2,795 1,796 2,802 1,808 0.5,809 1,822 1,829 2,833 1,859 1,868 11,875 1,893 5.6,895 1,901 5.5,902 3.15,903 2.472,904 0.986,907 2.377,908 1.451,909 0.958,910 1.337,911 7.65,912 2.918,913 3.57,914 4.227,915 4.835,916 5.388,917 5.497,918 5.768,919 6.019,920 6.29,921 4.756,922 0.667,923 15,924 4.018,925 -0.011,926 1.679,927 0.026,929 7.864,931 7.552,932 -0.004,933 6.015,934 0.004,936 2.364,937 26,938 0.014,941 70.627,942 61.146,943 16.786,945 42.683,948 61.146,949 113.31,950 16.786,953 47.381,954 71.24,955 13.765,957 58.856,959 70.627,960 77.931,961 42.683,964 70.627,965 42.683,968 11.192,969 49.954,970 16.786,972 70.627,973 59.469,974 61.146,977 70.627,978 4.717,979 56.429,981 59.469,982 70.627,983 59.469,984 61.146,986 0.569,987 0.342,988 0.188,989 0.094,990 9,991 3,994 1,995 1.2,996 2.324,997 62.491,998 0.2,999 10,1000 36.054,1005 6.317,1006 2.329,1007 0.974,1008 1.627,1009 59.469,1010 10.794,1011 4.031,1015 0.239,1017 42.683,1018 191.241,1019 17.5,1031 18.08,1032 19.953,1034 0.358,1035 0.639,1036 0.819,1037 0.973,1038 1,1039 1,1040 4.073,1041 -0.903,1042 4.828,1043 -1.478,1044 3.497,1045 4.248,1047 5.602,1048 3.441,1049 5.289,1050 -1.385,1051 6.361,1052 -2.121,1053 2.944,1054 4.007,1056 6.475,1057 2.845,1058 6.593,1059 -1.662,1060 8.007,1061 -3.453,1062 5.03,1063 6.571,1065 9.582,1066 4.924,1067 7.943,1068 -2,1069 9.721,1070 -4.585,1071 5.352,1072 7.233,1074 11.337,1075 5.197,1076 9.33,1077 -2,1078 11.48,1079 -5.356,1080 6.889,1081 9.209,1083 13.934,1084 6.729,1085 10.744,1087 13.269,1088 -6.671,1089 7.637,1090 10.312,1092 16.018,1093 7.433,1094 12.18,1096 15.079,1098 8.927,1099 12.021,1101 18.435,1102 8.712,1103 3.003,1105 16.904,1107 9.871,1108 13.334,1110 20.646,1111 9.618,1112 2.015,1113 9.943,1114 18.739,1116 11.053,1117 14.921,1119 22.993,1120 10.784,1121 1.618,1122 5.69,1123 20.581,1124 4.421,1125 12.086,1126 16.329,1128 25.254,1129 11.781,1130 1.27,1131 3.731,1132 22.429,1133 2.85,1134 13.221,1135 17.861,1137 27.572,1138 12.895,1139 0.876,1140 2.814,1141 24.281,1142 2.427,1143 14.291,1144 19.312,1146 29.854,1147 13.934,1148 -0.215,1149 1.968,1150 26.136,1151 1.9,1152 15.407,1153 20.82,1155 32.16,1156 15.026,1157 -0.618,1158 -0.48,1159 27.993,1160 1.257,1161 16.493,1162 22.29,1164 34.45,1165 16.083,1166 655,1167 1170,1168 8.148,1169 12.744,1170 17.7,1171 17.562,1172 18.149,1173 17.596,1174 17.564,1175 25.71,1177 48.29,1178 17.029,1179 4.978,1180 5.08,1181 6.142,1182 5.014,1183 5.003,1184 7.421,1186 16.614,1187 4.922,1188 3.233,1189 1.475,1190 1.463,1191 1.512,1192 1.466,1193 1.464,1194 2.142,1196 4.024,1197 1.419,1198 4.056,1199 4.08,1200 4.017,1201 3.983,1202 6.47,1203 3.988,1204 3.451,1205 3.495,1206 3.354,1207 3.348,1208 4.938,1209 3.343,1210 3.044,1211 3.081,1212 2.959,1213 2.865,1214 4.346,1215 2.882,1216 2.673,1217 2.73,1218 2.542,1219 2.573,1220 3.867,1221 2.56,1222 2.516,1223 2.594,1224 2.366,1225 2.23,1226 3.42,1227 2.244,1228 2.128,1229 2.227,1230 1.83,1231 1.605,1232 3.112,1233 1.657,1234 1.545,1235 1.748,1236 1.003,1237 1.132,1238 2.056,1239 1.068,1240 1.477,1241 1.685,1242 0.887,1243 1.072,1244 1.814,1245 0.996,1246 0.373,1247 0.257,1248 0.538,1249 0.331,1250 0.25,1251 4.478,1252 0.368,1253 3.08,1255 6.453,1256 0.829,1257 3.977,1258 0.244,1259 3.003,1260 4.421,1262 9.943,1263 2.922,1264 2.022,1265 2,1266 2.099,1267 2.112,1268 1.192,1269 2.109,1270 1.448,1271 1.406,1272 1.628,1273 1.587,1274 0.641,1275 1.602,1276 0.977,1277 0.939,1278 1.162,1279 1.212,1280 0.167,1281 1.193,1282 0.689,1283 0.639,1284 0.937,1285 0.873,1286 0.033,1287 0.897,1288 0.442,1289 0.355,1290 0.795,1291 0.766,1293 0.773,1294 0.006,1296 0.545,1297 0.509,1299 0.539,1302 0.333,1303 0.085,1305 0.182,1308 0.26,1309 0.021,1311 0.117,1312 3.219,1314 4.489,1316 5.999,1318 7.617,1320 9.284,1327 9.309,1340 12.317,1341 26.878,1342 47.939,1343 61.449,1344 73.059,1345 75.059,1346 75.059,1347 10.317,1348 5.273,1349 33.12,1350 33.12,1351 12,1352 11.404,1353 3.585,1354 2.7,1355 15.059,1356 19,1357 12,1358 0.45,1359 78.468,1360 124.33,1361 183.223,1362 940,1364 7.682,1365 0.698,1366 0.533,1367 7.682,1368 5.859,1369 5.377,1370 0.448,1371 0.284,1372 3.373,1373 5.242,1374 3.305,1375 2.756,1376 5.377,1377 3.405,1378 4.617,1379 0.289,1380 0.147,1381 4.617,1382 2.352,1383 3.933,1384 0.187,1385 0.077,1386 3.933,1387 1.611,1388 3.26,1389 0.125,1390 0.042,1391 3.26,1392 1.088,1393 2.513,1394 0.084,1395 0.023,1396 2.513,1397 0.688,1398 0.625,1399 33.294,1400 0.35,1401 10.7,1402 1.476,1403 56,1404 163.795,1405 59.824,1406 163.016,1407 223.21,1408 152,1409 65,1410 164.495,1411 69.047,1412 168.481,1413 243.89,1414 159,1415 7}
{0 CHEMBL310918,1 1.487,2 13.448,3 4.259,4 18.142,5 116.803,6 7.027,7 0.375,8 4.11,9 4.235,10 3.63,11 3.661,12 5.15,13 3.622,14 4.694,15 4.875,16 3.975,17 4.096,18 5.756,19 4.026,20 5.008,21 5.239,22 3.985,23 4.248,24 5.934,25 4.128,26 5.08,27 5.341,28 3.852,29 4.19,30 5.986,31 4.042,32 4.979,33 5.254,34 3.777,35 4.072,36 5.857,37 3.929,38 4.868,39 5.109,40 3.729,41 3.99,42 5.879,43 3.865,44 4.794,45 5.035,46 3.632,47 3.952,48 5.712,49 3.815,50 4.797,51 5.061,52 3.534,53 3.88,54 5.697,55 3.732,56 0.121,57 0.812,58 12.28,59 5.382,60 8.806,61 7.342,62 0.22,63 1.36,64 23.422,65 9.301,66 42.362,67 13.037,68 0.219,69 1.705,70 33.584,71 12.802,72 43.556,73 18.261,74 0.353,75 1.692,76 37.698,77 13.545,78 65.89,79 19.379,80 0.319,81 1.514,82 34.298,83 12.297,84 52.834,85 17.716,86 0.514,87 1.351,88 30.725,89 10.681,90 74.112,91 14.944,92 0.324,93 1.3,94 27.942,95 10.093,96 51.112,97 14.294,98 0.317,99 1.253,100 28.688,101 9.943,102 57.778,103 14.222,104 11,105 44,106 0.244,107 0.551,108 0.753,109 0.854,110 0.86,111 0.86,112 3.407,113 0.979,114 -5.07,115 -4.97,116 -4.66,121 41.1,123 5,124 1,127 4,144 7,145 3,146 2,159 1,168 2,176 13,179 1,180 7,185 3,187 14,192 12,197 2,200 11,206 10,211 1,214 8,218 1,219 7,227 12,231 2,235 1,237 1,239 12,243 1,244 3,249 1,251 11,256 7,261 1,264 6,269 6,274 2,277 3,281 1382,282 19.67,283 19.67,284 19.67,285 19.67,286 19.67,287 17.827,288 26.701,289 11.613,290 19.867,291 15.799,292 15.799,293 15.799,294 15.799,295 15.799,296 12.925,297 33.645,298 5.53,299 16.084,300 4.32,301 2.456,302 1.226,303 0.607,304 0.571,305 0.571,306 4.105,311 1,312 1,313 853,314 3.536,317 81.237,318 298.266,321 140.124,325 2.264,326 29.46,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 62.5,338 390,339 4.342,340 3.78,341 6.257,342 3.986,343 2.989,344 3.981,345 2.612,346 9.438,347 2.985,348 4.28,349 3.607,350 5.983,351 3.818,352 2.844,353 3.977,354 1.277,355 8.53,356 2.771,357 3.908,358 3.074,359 5.904,360 3.658,361 2.672,362 3.247,363 0.916,364 8.17,365 2.65,366 3.798,367 3.017,368 5.573,369 3.566,370 2.579,371 3.192,372 0.4,373 7.568,374 2.53,375 3.565,376 2.573,377 5.296,378 3.313,379 2.33,380 2.623,381 0.172,382 6.798,383 2.283,384 3.164,385 2.254,386 4.918,387 2.948,388 1.988,389 2.232,391 5.696,392 1.898,393 2.903,394 1.959,395 4.405,396 2.529,397 1.535,398 2.032,400 4.286,401 1.528,402 2.877,403 1.813,404 4.163,405 2.495,406 1.491,407 1.971,409 3.777,410 1.488,411 2.824,412 1.759,413 3.764,414 2.323,415 1.327,416 1.861,418 3.012,419 1.321,420 2.586,421 1.251,422 3.438,423 2.022,424 1.056,425 1.584,427 2.384,428 1.017,429 2.178,430 1.189,431 3.436,432 2,433 1,434 1.151,436 2.323,437 1,438 2,439 1.086,440 3.414,441 1.984,442 1,443 1,445 2.275,446 0.983,447 1.769,448 1.077,449 3.144,450 1.613,451 0.6,452 0.67,454 1.396,455 0.604,456 1.618,457 1,458 2.997,459 1.353,460 0.366,461 0.433,463 0.897,464 0.36,465 1.218,466 0.601,467 2.818,468 1.027,469 0.039,470 0.044,472 0.099,473 0.038,474 13.7,475 0.472,476 0.677,477 0.023,478 35.25,479 1.216,480 17,481 0.586,482 18.25,483 0.629,484 25.774,485 0.889,486 31.9,487 0.57,488 24.618,489 0.849,490 6.515,491 0.225,492 7.565,493 0.261,494 0.073,496 0.314,501 0.431,502 1.218,503 0.809,504 1.07,505 0.45,506 1.008,507 0.61,508 1.154,509 0.938,510 1.084,511 0.381,512 1.052,513 0.705,514 1.131,515 1.006,516 1.148,517 0.55,518 1.122,519 0.903,520 1.021,521 1.005,522 1.054,523 0.895,524 1.05,525 0.762,526 0.891,527 0.859,528 0.951,529 0.777,530 0.925,531 1.138,532 0.921,533 1.067,534 0.964,535 1.351,536 1.011,537 0.963,538 1.045,539 1.109,540 1.099,541 1.01,542 1.125,543 1.051,544 0.959,545 1.043,546 0.997,547 1.091,548 1.018,549 6,550 0.114,551 3.111,552 1.382,553 1.333,554 0.802,555 0.535,556 0.313,557 0.231,558 0.179,559 13107,560 33500,561 2.111,562 48.2,563 3,564 15,567 1,568 2,569 6,572 1.711,573 2,574 3.712,575 -0.371,577 1,582 83.278,583 1.487,584 3.352,585 4.581,586 5.2,587 5.236,588 5.236,589 3.125,590 4.349,591 4.832,592 3.922,593 1592.42,594 8.365,595 23247.6,597 1,599 1,600 325.212,601 1.314,602 4.8,603 0.188,604 0.006,605 0.071,606 0.033,607 0.038,608 0.024,609 0.017,610 0.011,611 0.009,612 0.008,613 0.405,614 0.17,615 1,616 0.674,617 151.886,618 0.189,619 0.013,620 0.063,621 0.043,622 0.038,623 0.028,624 0.068,625 -0.015,626 -0.03,627 -0.029,628 0.168,629 -0.037,630 -0.026,631 -0.107,632 -0.074,633 -0.129,634 0.052,635 -0.109,636 -0.048,637 -0.084,638 -0.033,639 -0.066,640 -0.027,641 -0.05,642 0.038,643 0.031,644 0.116,645 0.029,646 0.01,647 0.078,648 0.002,649 0.024,650 -0.066,651 0.016,652 -0.118,653 -0.034,654 -0.054,655 -0.069,656 -0.14,657 -0.105,658 -0.093,659 -0.132,660 -0.093,661 -0.03,662 -0.054,663 -0.025,664 -0.106,665 -0.032,666 2.343,667 5.594,668 0.724,669 31.688,670 0.998,671 1.127,672 3.843,673 14.771,674 0.652,675 3.497,676 3.807,677 4.043,678 4.248,679 4.443,680 4.454,681 4.554,682 4.585,683 4.575,684 4.663,685 8.108,686 0.617,687 393.53,688 3.497,689 5.03,690 5.866,691 6.725,692 7.574,693 8.433,694 9.286,695 10.145,696 11,697 11.858,698 5.4,701 1,703 1,709 1,715 7,720 5,722 12,727 1,734 1,735 1,741 56,743 15,744 2,745 32,747 59,748 23,749 12,750 5,751 7,752 1,756 4,757 5,767 3,768 1,770 5,772 13,773 10,774 1,777 3,779 1,782 3,786 1,790 1,793 27,794 5,795 1,796 6,802 3,808 0.75,809 3,828 1,829 3,832 1,855 1,859 3,868 29,876 9,877 1,880 1,881 1,893 5.4,896 1,899 2,901 14.5,902 9.817,903 6.333,904 3.646,907 2.27,908 1.297,909 0.98,910 6.15,911 9.912,912 3.738,913 4.277,914 4.749,915 5.209,916 5.69,917 5.787,918 6.021,919 5.914,920 5.882,921 6.046,922 0.889,923 42,924 10.8,926 4.661,927 0.026,929 7.787,931 20.992,933 17.88,936 2.287,937 66.333,939 1,940 1,941 306.049,942 107.633,943 26.805,945 75.892,948 107.633,949 381.94,950 26.805,951 5.67,952 21.095,953 66.334,954 48.289,955 18.195,957 306.049,958 50.747,959 306.049,960 134.438,961 75.892,964 235.422,965 95.772,966 50.747,968 24.22,969 86.537,970 23.681,972 306.049,973 102.697,974 107.633,977 306.049,978 41.299,979 75.128,980 18.011,981 75.892,982 306.049,983 102.697,984 107.633,986 0.582,987 0.334,988 0.17,989 0.091,990 21,991 9,992 0.119,993 7,994 1,995 1.095,996 4.263,997 242.174,998 0.095,999 21,1000 134.881,1005 19.907,1006 8.959,1007 4.967,1009 97.027,1010 12.925,1015 4.399,1017 18.011,1018 516.379,1019 41,1021 -0.343,1024 34.463,1028 0.249,1031 55.891,1032 63.106,1034 0.256,1035 0.577,1036 0.789,1037 0.895,1038 0.902,1039 0.902,1040 4.977,1041 1.491,1042 5.838,1043 4.286,1044 4.489,1045 4.963,1046 2.85,1047 6.597,1048 4.458,1049 6.152,1050 1.327,1051 7.367,1052 3.777,1053 4.007,1054 4.758,1055 2.396,1056 7.372,1057 3.966,1058 7.441,1059 1.056,1060 8.99,1061 3.012,1062 6.043,1063 7.063,1064 4.249,1065 10.408,1066 5.982,1067 8.762,1068 1,1069 10.667,1070 2.384,1071 6.365,1072 7.671,1073 4.512,1074 11.977,1075 6.298,1076 10.113,1077 1,1078 12.377,1079 2.323,1080 7.85,1081 9.471,1082 5.972,1083 14.496,1084 7.768,1085 11.485,1086 0.6,1087 14.11,1088 2.275,1089 8.542,1090 10.445,1091 6.557,1092 16.401,1093 8.455,1094 12.872,1095 0.366,1096 15.858,1097 1.396,1098 9.792,1099 12.037,1100 7.8,1101 18.727,1102 9.692,1103 2.989,1104 0.039,1105 17.618,1106 0.897,1107 10.666,1108 13.194,1109 8.548,1110 20.788,1111 10.562,1112 2.844,1113 9.438,1114 19.386,1115 0.099,1116 11.81,1117 14.685,1118 9.671,1119 23.038,1120 11.696,1121 2.672,1122 8.53,1123 21.16,1124 3.981,1125 12.776,1126 15.939,1127 10.509,1128 25.175,1129 12.658,1130 2.579,1131 8.17,1132 22.941,1133 3.977,1134 13.872,1135 17.379,1136 11.564,1137 27.399,1138 13.747,1139 2.33,1140 7.568,1141 24.725,1142 3.247,1143 14.886,1144 18.686,1145 12.452,1146 29.575,1147 14.757,1148 1.988,1149 6.798,1150 26.513,1151 3.192,1152 15.963,1153 20.099,1154 13.468,1155 31.791,1156 15.828,1157 1.535,1158 5.696,1159 28.304,1160 2.623,1161 17.002,1162 21.437,1163 14.386,1164 33.989,1165 16.864,1166 12256,1167 19763,1168 21.671,1169 36.517,1170 47.746,1171 49.987,1172 48.521,1173 47.643,1174 47.629,1175 59.997,1176 10.757,1177 133.299,1178 46.91,1179 5.342,1180 5.78,1181 5.805,1182 5.021,1183 4.989,1184 6.981,1185 4.612,1186 15.798,1187 4.985,1188 12.643,1189 1.492,1190 1.562,1191 1.516,1192 1.489,1193 1.488,1194 1.875,1195 0.336,1196 4.166,1197 1.466,1198 4.042,1199 4.078,1200 3.983,1201 3.953,1202 7.815,1203 3.954,1204 3.989,1205 4.02,1206 3.942,1207 3.883,1208 7.427,1209 3.888,1210 3.859,1211 3.912,1212 3.746,1213 3.729,1214 6.999,1215 3.722,1216 3.6,1217 3.648,1218 3.516,1219 3.423,1220 4.751,1221 3.431,1222 3.499,1223 3.53,1224 3.439,1225 3.213,1226 4.695,1227 3.231,1228 3.334,1229 3.403,1230 3.186,1231 3.087,1232 4.313,1233 3.128,1234 3.143,1235 3.206,1236 3,1237 2.941,1238 4.084,1239 2.959,1240 3.111,1241 3.206,1242 2.866,1243 2.938,1244 3.883,1245 2.91,1246 0.136,1247 0.118,1248 0.196,1249 0.125,1250 0.093,1251 4.342,1252 0.124,1253 3.78,1254 0.082,1255 6.257,1256 0.295,1257 3.986,1258 0.093,1259 2.989,1260 3.981,1261 2.612,1262 9.438,1263 2.985,1264 1.953,1265 1.921,1266 2.105,1267 2.106,1268 1.485,1269 2.097,1270 1.922,1271 1.901,1272 2.025,1273 2.034,1274 1.212,1275 2.029,1276 1.834,1277 1.786,1278 1.985,1279 1.971,1280 1.167,1281 1.975,1282 1.497,1283 1.441,1284 1.749,1285 1.726,1286 1.03,1287 1.721,1288 1.463,1289 1.386,1290 1.711,1291 1.697,1292 0.939,1293 1.707,1294 1.268,1295 1.228,1296 1.513,1297 1.629,1298 0.825,1299 1.569,1300 1.153,1301 1.068,1302 1.466,1303 1.38,1304 0.69,1305 1.429,1306 1.116,1307 1.064,1308 1.269,1309 1.376,1310 0.434,1311 1.383,1312 4.174,1314 5.485,1315 2.398,1316 6.978,1317 4.595,1318 8.55,1319 6.581,1320 10.163,1328 8.378,1329 3.331,1332 0.58,1333 2.352,1340 34.53,1341 83.278,1342 187.689,1343 256.541,1344 291.212,1345 293.212,1346 293.212,1347 56.534,1348 7.642,1349 78.16,1350 78.16,1351 23,1352 12.41,1353 4,1354 3.322,1355 45.182,1356 144,1357 113,1358 0.15,1359 210.773,1360 373.47,1361 506.047,1362 25269,1364 20.217,1365 0.697,1366 0.572,1367 20.217,1368 16.602,1369 14.081,1370 0.44,1371 0.326,1372 10.33,1373 13.591,1374 10.134,1375 8.343,1376 14.081,1377 10.44,1378 12.738,1379 0.29,1380 0.185,1381 12.738,1382 8.157,1383 10.564,1384 0.189,1385 0.11,1386 10.564,1387 6.151,1388 8.369,1389 0.121,1390 0.064,1391 8.369,1392 4.418,1393 6.708,1394 0.08,1395 0.037,1396 6.708,1397 3.139,1398 0.247,1399 88.026,1400 0.215,1401 28.401,1402 0.384,1403 152,1404 422.83,1405 164.083,1406 408.283,1407 544.23,1408 378,1409 176,1410 393.804,1411 188.309,1412 395.092,1413 569.14,1414 371,1415 7.194}
{0 CHEMBL311017,1 1.285,2 13.185,3 4.719,4 22.264,5 113.713,6 6.361,7 0.4,8 4.103,9 4.237,10 3.551,11 3.679,12 5.013,13 3.615,14 4.705,15 4.909,16 3.887,17 4.109,18 5.522,19 4.014,20 5.006,21 5.244,22 3.902,23 4.278,24 5.801,25 4.129,26 5.1,27 5.376,28 3.736,29 4.236,30 5.836,31 4.044,32 5.013,33 5.312,34 3.644,35 4.107,36 5.725,37 3.916,38 4.846,39 5.109,40 3.608,41 3.999,42 5.688,43 3.838,44 4.764,45 5.021,46 3.476,47 3.94,48 5.588,49 3.762,50 4.715,51 4.997,52 3.341,53 3.857,54 5.407,55 3.66,56 0.058,57 0.795,58 13.551,59 5.751,60 7.532,61 8.168,62 0.177,63 1.376,64 25.207,65 9.596,66 14.704,67 14.049,68 0.224,69 1.723,70 33.896,71 13.514,72 29.622,73 19.433,74 0.265,75 1.777,76 37.213,77 14.683,78 36.069,79 21.137,80 0.236,81 1.589,82 34.051,83 13.399,84 29.544,85 19.347,86 0.296,87 1.357,88 29.198,89 11.26,90 34.697,91 15.941,92 0.265,93 1.265,94 26.757,95 10.57,96 35.186,97 14.976,98 0.172,99 1.202,100 25.151,101 10.09,102 23.575,103 14.536,104 5,105 41,106 0.212,107 0.5,108 0.729,109 0.83,110 0.838,111 0.838,112 3.339,113 1.032,114 -5.29,115 -5.17,116 -4.84,121 42.1,123 5,124 1,126 1,127 4,144 8,145 3,146 1,159 1,176 15,180 8,187 16,192 8,200 12,206 7,214 8,219 5,227 12,231 1,232 1,239 14,243 1,244 2,251 12,256 3,264 7,269 5,277 4,281 1124,282 18.516,283 18.516,284 18.516,285 18.516,286 18.516,287 16.974,288 21.94,289 11.023,290 18.699,291 14.815,292 14.815,293 14.815,294 14.815,295 14.815,296 12.432,297 26.211,298 5.277,299 15.088,300 4.548,301 2.8,302 1.413,303 0.798,304 0.75,305 0.75,306 4.04,311 1,312 1,313 786,314 3.082,317 72.18,318 273.063,321 124.846,325 2.118,326 15.164,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 56,338 356,339 4.397,340 3.609,341 6.503,342 4.065,343 3.086,344 4.017,345 1.277,346 10.145,347 3.031,348 3.971,349 3.262,350 5.993,351 3.726,352 2.742,353 3.457,354 0.916,355 8.447,356 2.715,357 3.939,358 3.017,359 5.616,360 3.659,361 2.672,362 3.301,363 0.8,364 7.786,365 2.616,366 3.598,367 2.557,368 5.33,369 3.453,370 2.455,371 2.635,372 0.172,373 6.942,374 2.45,375 3.189,376 2.262,377 4.963,378 3.032,379 2.078,380 2.263,382 5.872,383 1.973,384 3.044,385 2.216,386 4.929,387 2.789,388 1.822,389 2.139,391 5.345,392 1.753,393 2.899,394 1.853,395 4.173,396 2.53,397 1.524,398 2.015,400 3.839,401 1.531,402 2.815,403 1.52,404 4.089,405 2.414,406 1.42,407 1.9,409 3.37,410 1.411,411 2.522,412 1.453,413 3.592,414 2.225,415 1.236,416 1.506,418 3.036,419 1.217,420 2.5,421 1.088,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2,430 1.077,431 3.247,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.831,439 1,440 3.218,441 1.65,442 0.656,443 0.749,445 1.529,446 0.65,447 1.744,448 0.731,449 3.09,450 1.544,451 0.527,452 0.604,454 1.239,455 0.533,456 1.216,457 0.372,458 2.767,459 1.031,460 0.045,461 0.05,463 0.112,464 0.044,465 0.833,466 -0.066,467 2.393,468 0.506,469 -0.474,470 -0.54,472 -1.121,473 -0.462,474 13.133,475 0.486,476 0.571,477 0.021,478 30.75,479 1.139,480 14,481 0.519,482 16.75,483 0.62,484 25.414,485 0.941,486 29.467,487 0.517,488 19.713,489 0.73,490 5.654,491 0.209,492 7.533,493 0.279,494 0.063,496 0.289,501 0.708,502 1.341,503 0.933,504 1.145,505 0.53,506 1.068,507 1.11,508 1.06,509 1.045,510 0.985,511 0.584,512 0.992,513 1.03,514 1.131,515 1.111,516 1.134,517 0.898,518 1.127,519 1.061,520 1.048,521 1.064,522 1.074,523 1.143,524 1.073,525 0.904,526 0.894,527 0.869,528 0.914,529 1.052,530 0.894,531 1.469,532 0.935,533 1.034,534 0.973,535 1.978,536 0.981,537 1.345,538 1.025,539 1.141,540 1.076,541 1.767,542 1.101,543 0.921,544 1.009,545 1.012,546 1.028,547 1.05,548 1.031,549 5,550 0.131,551 2.889,552 1.417,553 1.102,554 0.653,555 0.453,556 0.267,557 0.168,558 0.148,559 10889,560 20748,561 2.142,562 52.6,563 3,564 19,568 2,569 6,572 1.692,573 2.051,574 3.673,575 -0.879,582 73.229,583 1.285,584 3.033,585 4.42,586 5.034,587 5.083,588 5.083,589 3.134,590 4.385,591 4.727,592 3.846,593 1350.08,594 8.156,595 18456.9,597 1,600 332.475,601 1.218,602 4.706,603 0.167,604 0.007,605 0.07,606 0.036,607 0.036,608 0.023,609 0.016,610 0.011,611 0.008,612 0.007,613 0.381,614 0.5,615 1,616 0.454,617 137.772,618 0.054,619 -0.145,620 0.073,621 -0.029,622 0.027,623 0.012,624 -0.102,625 0.086,626 -0.03,627 0.034,628 0.012,629 0.016,630 -0.07,631 -0.099,632 -0.123,633 -0.124,634 0.013,635 -0.126,636 -0.052,637 -0.093,638 -0.086,639 -0.095,640 -0.044,641 -0.094,642 0.046,643 0.027,644 0.101,645 0.05,646 -0.003,647 0.077,648 0.013,649 0.017,650 -0.024,651 0.005,652 -0.119,653 -0.011,654 -0.029,655 -0.064,656 -0.143,657 -0.085,658 -0.122,659 -0.12,660 -0.04,661 -0.067,662 -0.046,663 -0.046,664 -0.084,665 -0.048,666 1.348,667 5.65,668 0.778,669 28.82,670 0.981,671 1.123,672 4.056,673 16.451,674 0.651,675 3.434,676 3.738,677 3.989,678 4.205,679 4.394,680 4.394,681 4.511,682 4.554,683 4.5,684 4.554,685 7.642,686 0.599,687 362.56,688 3.434,689 4.963,690 5.802,691 6.661,692 7.513,693 8.374,694 9.232,695 10.096,696 10.956,697 11.822,698 3.5,701 1,704 1,715 8,720 4,722 12,727 1,736 1,741 57,743 13,744 2,745 30,747 60,748 24,749 12,750 4,751 8,752 1,756 4,757 5,767 3,768 1,770 5,772 13,773 11,774 1,777 1,782 1,786 1,793 30,794 3,796 3,802 2,808 0.75,809 1,828 1,829 3,832 1,855 1,859 3,864 1,868 27,876 9,880 1,881 2,893 1.8,896 1,901 13.167,902 10.317,903 5.917,904 3.747,907 2.006,908 1.268,909 0.987,910 5.707,911 9.487,912 3.638,913 4.143,914 4.635,915 5.094,916 5.555,917 5.61,918 5.852,919 5.854,920 5.761,921 5.88,922 0.889,923 39,924 10.076,926 4.263,927 0.026,929 7.432,931 20.244,933 17.322,936 1.932,937 52.167,939 1,940 1,941 353.133,942 122.749,943 6.249,945 25.145,948 122.749,949 378.278,950 6.249,951 8.396,952 21.095,953 75.81,954 30.278,955 18.562,957 353.133,959 353.133,960 128.997,961 25.145,964 282.506,965 95.772,968 24.22,969 104.778,972 353.133,973 31.394,974 122.749,977 353.133,978 38.542,979 90.455,981 25.145,982 353.133,983 31.394,984 122.749,986 0.579,987 0.335,988 0.174,989 0.093,990 20,991 8,992 0.1,993 6,994 1,995 1.095,996 4.122,997 220.558,998 0.095,999 21,1000 118.382,1005 18.404,1006 8.372,1007 4.482,1009 31.394,1010 16.992,1015 4.925,1018 507.275,1019 37,1024 12.65,1028 0.319,1031 55.901,1032 64.019,1034 0.22,1035 0.52,1036 0.758,1037 0.863,1038 0.871,1039 0.871,1040 4.875,1041 1.42,1042 5.765,1043 3.839,1044 4.419,1045 4.828,1046 1.906,1047 6.526,1048 4.386,1049 6.027,1050 1.236,1051 7.292,1052 3.37,1053 3.892,1054 4.443,1055 0.57,1056 7.31,1057 3.836,1058 7.298,1059 1,1060 8.916,1061 3.036,1062 5.969,1063 6.859,1064 2.047,1065 10.376,1066 5.903,1067 8.599,1068 1,1069 10.597,1070 2.275,1071 6.275,1072 7.306,1073 0.581,1074 12.007,1075 6.189,1076 9.935,1077 0.656,1078 12.316,1079 2.136,1080 7.788,1081 9.201,1082 2.367,1083 14.564,1084 7.691,1085 11.294,1086 0.527,1087 14.062,1088 1.529,1089 8.489,1090 10.051,1091 0.515,1092 16.558,1093 8.373,1094 12.671,1095 0.045,1096 15.827,1097 1.239,1098 9.76,1099 11.71,1100 2.767,1101 18.94,1102 9.632,1103 3.086,1104 -0.474,1105 17.607,1106 0.112,1107 10.658,1108 12.778,1109 0.441,1110 21.1,1111 10.511,1112 2.742,1113 10.145,1114 19.4,1115 -1.121,1116 11.824,1117 14.313,1118 3.207,1119 23.423,1120 11.662,1121 2.672,1122 8.447,1123 21.202,1124 4.017,1125 12.822,1126 15.506,1127 0.373,1128 25.66,1129 12.641,1130 2.455,1131 7.786,1132 23.013,1133 3.457,1134 13.944,1135 16.973,1136 3.669,1137 27.966,1138 13.747,1139 2.078,1140 6.942,1141 24.831,1142 3.301,1143 14.994,1144 18.241,1145 0.314,1146 30.239,1147 14.777,1148 1.822,1149 5.872,1150 26.655,1151 2.635,1152 16.1,1153 19.67,1154 4.143,1155 32.543,1156 15.866,1157 1.524,1158 5.345,1159 28.484,1160 2.263,1161 17.177,1162 20.985,1163 0.264,1164 34.835,1165 16.924,1166 10097,1167 14020,1168 20.572,1169 37.126,1170 44.832,1171 45.65,1172 45.317,1173 44.575,1174 44.526,1175 54.273,1176 6.333,1177 124.143,1178 43.815,1179 5.397,1180 5.609,1181 6.305,1182 5.1,1183 5.086,1184 7.017,1185 2.555,1186 16.821,1187 5.031,1188 9.613,1189 1.494,1190 1.522,1191 1.511,1192 1.486,1193 1.484,1194 1.809,1195 0.211,1196 4.138,1197 1.46,1198 4.04,1199 4.075,1200 3.979,1201 3.958,1202 7.427,1203 3.959,1204 3.945,1205 3.991,1206 3.862,1207 3.863,1208 4.762,1209 3.858,1210 3.826,1211 3.872,1212 3.713,1213 3.725,1214 4.721,1215 3.715,1216 3.602,1217 3.652,1218 3.505,1219 3.439,1220 4.318,1221 3.446,1222 3.377,1223 3.452,1224 3.226,1225 3.216,1226 4.119,1227 3.208,1228 3.171,1229 3.239,1230 3.026,1231 3.016,1232 3.892,1233 3.008,1234 3.113,1235 3.209,1236 2.898,1237 2.941,1238 3.743,1239 2.91,1240 3.111,1241 3.206,1242 2.866,1243 2.921,1244 3.674,1245 2.903,1246 0.147,1247 0.12,1248 0.217,1249 0.135,1250 0.103,1251 4.397,1252 0.134,1253 3.609,1254 0.043,1255 6.503,1256 0.338,1257 4.065,1258 0.101,1259 3.086,1260 4.017,1261 1.277,1262 10.145,1263 3.031,1264 1.944,1265 1.913,1266 2.106,1267 2.072,1268 1.485,1269 2.086,1270 1.916,1271 1.889,1272 2.028,1273 2,1274 1.21,1275 2.008,1276 1.827,1277 1.78,1278 1.987,1279 1.939,1280 1.157,1281 1.959,1282 1.529,1283 1.449,1284 1.794,1285 1.765,1286 1.049,1287 1.78,1288 1.49,1289 1.436,1290 1.727,1291 1.681,1292 0.98,1293 1.699,1294 1.222,1295 1.16,1296 1.513,1297 1.43,1298 0.825,1299 1.456,1300 1.153,1301 1.064,1302 1.511,1303 1.376,1304 0.694,1305 1.429,1306 1.116,1307 1.032,1308 1.446,1309 1.338,1310 0.604,1311 1.383,1312 4.111,1314 5.416,1315 2.398,1316 6.911,1317 4.727,1318 8.485,1319 6.804,1320 10.1,1322 2.123,1328 9.645,1332 0.696,1333 4.817,1340 34.133,1341 73.229,1342 172.857,1343 251.945,1344 286.965,1345 289.72,1346 289.72,1347 41.3,1348 7.481,1349 23.55,1350 23.55,1351 23,1352 12.369,1353 3.807,1354 3,1355 40.656,1356 126,1357 113,1358 0.155,1359 208.506,1360 364.83,1361 500.515,1362 20296,1364 18.64,1365 0.69,1366 0.606,1367 18.64,1368 16.363,1369 13.187,1370 0.44,1371 0.344,1372 10.245,1373 12.909,1374 9.959,1375 8.24,1376 13.187,1377 10.324,1378 11.733,1379 0.286,1380 0.2,1381 11.733,1382 8.182,1383 9.998,1384 0.189,1385 0.118,1386 9.998,1387 6.265,1388 7.997,1389 0.121,1390 0.068,1391 7.997,1392 4.495,1393 6.403,1394 0.08,1395 0.04,1396 6.403,1397 3.23,1398 0.254,1399 80.969,1400 0.22,1401 26.74,1402 0.397,1403 142,1404 303.026,1405 148.267,1406 300.935,1407 416.78,1408 284,1409 165,1410 304.214,1411 172.322,1412 314.432,1413 456.15,1414 296,1415 8}
{0 CHEMBL31184,1 0.954,2 6.75,3 4.854,4 23.557,5 83.173,6 7.885,7 1,8 3.592,9 3.676,10 3.258,11 3.387,12 4.661,13 3.338,14 4.088,15 4.189,16 3.664,17 3.832,18 5.108,19 3.769,20 4.372,21 4.525,22 3.782,23 4.007,24 5.322,25 3.921,26 4.404,27 4.574,28 3.678,29 3.97,30 5.333,31 3.862,32 4.336,33 4.535,34 3.426,35 3.808,36 5.223,37 3.669,38 4.119,39 4.359,40 2.955,41 3.46,42 4.927,43 3.28,44 3.744,45 4.017,46 2.48,47 3.009,48 4.492,49 2.815,50 3.232,51 3.506,52 1.842,53 2.462,54 3.97,55 2.245,56 0.021,57 0.267,58 5.191,59 2.373,60 5.132,61 3.357,62 0.036,63 0.461,64 8.965,65 4.099,66 6.91,67 5.799,68 0.055,69 0.704,70 13.697,71 6.262,72 10.259,73 8.859,74 0.059,75 0.754,76 14.68,77 6.712,78 11.862,79 9.495,80 0.059,81 0.754,82 14.667,83 6.706,84 13.346,85 9.487,86 0.052,87 0.667,88 12.976,89 5.933,90 12.65,91 8.393,92 0.039,93 0.496,94 9.647,95 4.411,96 9.264,97 6.24,98 0.023,99 0.294,100 5.715,101 2.613,102 6.076,103 3.696,105 36,106 0.171,107 0.28,108 0.427,109 0.625,110 0.779,111 0.862,112 3.063,113 0.871,114 -6.78,115 -6.59,116 -6.11,121 62.5,144 12,145 8,176 24,187 36,200 40,214 35,227 26,239 15,251 9,264 4,277 1,281 360,282 14.223,283 14.223,284 14.223,285 14.223,286 14.223,287 11.613,289 8.225,290 14.223,291 11.897,292 11.897,293 11.897,294 11.897,295 11.897,296 7.931,298 3.903,299 11.897,300 4.046,301 3.439,302 2.618,303 1.508,304 0.649,305 0.188,306 3.791,311 1,312 1,313 318,314 2,318 116.892,322 229.53,324 92.881,325 1.075,326 5.025,328 1,329 0.75,330 0.5,331 0.83,332 0.2,334 0.83,335 1,336 0.59,337 40,338 135,339 4.886,340 3.386,341 7.132,342 4.386,343 3.386,344 5.079,346 12.473,347 3.386,348 4.395,349 2.895,350 6.474,351 3.895,352 2.895,353 4.343,355 10.063,356 2.895,357 3.853,358 2.353,359 5.809,360 3.353,361 2.353,362 3.529,364 7.759,365 2.353,366 3.721,367 2.221,368 5.406,369 3.221,370 2.221,371 3.332,373 6.799,374 2.221,375 3.457,376 1.957,377 5.167,378 2.957,379 1.957,380 2.935,382 6.093,383 1.957,384 2.988,385 1.488,386 4.439,387 2.488,388 1.488,389 2.231,391 3.963,392 1.488,393 2.881,394 1.381,395 3.993,396 2.381,397 1.381,398 2.071,400 3.201,401 1.381,402 2.698,403 1.198,404 3.646,405 2.198,406 1.198,407 1.798,409 2.795,410 1.198,411 2.614,412 1.114,413 3.586,414 2.114,415 1.114,416 1.67,418 2.707,419 1.114,420 2.007,421 0.507,422 3.135,423 1.507,424 0.507,425 0.761,427 1.226,428 0.507,429 1.32,430 -0.18,431 2.937,432 0.82,433 -0.18,434 -0.27,436 -0.487,437 -0.18,438 1.214,439 -0.286,440 2.656,441 0.714,442 -0.286,443 -0.429,445 -0.74,446 -0.286,447 0.999,448 -0.501,449 2.56,450 0.499,451 -0.501,452 -0.752,454 -1.623,455 -0.501,456 0.83,457 -0.67,458 2.346,459 0.33,460 -0.67,461 -1.005,463 -1.638,464 -0.67,465 0.597,466 -0.903,467 2.124,468 0.097,469 -0.903,470 -1.355,472 -2.292,473 -0.903,474 10,475 0.5,476 0.428,477 0.021,478 32,479 1.6,480 20,481 1,482 12,483 0.6,484 11.466,485 0.573,486 17.6,487 0.55,488 19.485,489 0.974,490 6.206,491 0.31,492 3.71,493 0.185,496 0.4,501 0.689,502 0.689,503 0.689,504 0.689,505 0.915,506 0.689,507 0.827,508 0.827,509 0.827,510 0.827,511 0.866,512 0.827,513 0.867,514 0.867,515 0.867,516 0.867,517 0.793,518 0.867,519 1.033,520 1.033,521 1.033,522 1.033,523 0.924,524 1.033,525 1.151,526 1.151,527 1.151,528 1.151,529 1.085,530 1.151,531 1.195,532 1.195,533 1.195,534 1.195,535 1.248,536 1.195,537 1.033,538 1.033,539 1.033,540 1.033,541 1.022,542 1.033,543 1.192,544 1.192,545 1.192,546 1.192,547 1.289,548 1.192,549 2.5,551 2.222,552 1.5,553 1.6,554 0.375,555 0.3,556 0.059,557 0.032,559 3712,560 7574,561 2.352,562 37.5,564 12,572 1.626,573 2.308,574 2.772,575 -0.984,582 30.542,583 0.954,584 1.561,585 2.382,586 3.492,587 4.351,588 4.813,589 2.261,590 3.646,591 4.301,592 2.802,593 532.37,594 7.383,595 5020.3,597 1,600 160,601 0.971,602 4.292,603 0.104,605 0.062,606 0.038,607 0.046,608 0.014,609 0.02,610 0.007,611 0.008,613 0.298,614 0.83,615 0.63,617 84.097,618 0.067,619 0.067,620 0.067,621 0.067,622 -0.119,623 0.067,624 -0.04,625 -0.04,626 -0.04,627 -0.04,628 -0.121,629 -0.04,630 0.021,631 0.021,632 0.021,633 0.021,634 0.038,635 0.021,636 -0.111,637 -0.111,638 -0.111,639 -0.111,640 -0.02,641 -0.111,642 -0.17,643 -0.17,644 -0.17,645 -0.17,646 -0.084,647 -0.17,648 -0.125,649 -0.125,650 -0.125,651 -0.125,652 -0.142,653 -0.125,654 0.115,655 0.115,656 0.115,657 0.115,658 0.145,659 0.115,660 -0.036,661 -0.036,662 -0.036,663 -0.036,664 -0.058,665 -0.036,666 0.349,667 0.309,668 1,669 9.8,670 0.978,671 1.078,672 5.551,673 30.809,674 0.768,675 3.219,676 3.611,677 4.025,678 4.431,679 4.812,680 4.984,681 5.236,682 5.46,683 5.67,684 5.67,685 4.011,686 0.724,687 252.32,688 3.219,689 4.796,690 5.714,691 6.648,692 7.583,693 8.525,694 9.466,695 10.41,696 11.354,697 12.299,714 8,715 12,722 24,741 32,743 24,744 5,745 24,747 36,748 20,749 20,750 8,751 12,756 5,757 22,772 20,793 12,808 0.2,829 5,833 6,835 2,859 1,868 20,901 8.667,902 6,903 4.194,904 2.049,907 5.327,908 1.66,909 1.178,910 1.782,911 13.4,912 3.611,913 4.407,914 5.229,915 6.043,916 6.832,917 7.41,918 8.07,919 8.699,920 9.316,921 9.721,922 0.8,923 40,924 7.378,926 3.305,927 0.026,929 7.367,931 14.682,933 13.177,936 1.867,937 37.333,938 0.002,941 141.253,942 134.299,948 134.299,949 141.253,953 113.715,955 20.584,957 141.253,959 141.253,960 134.299,964 141.253,969 134.299,972 141.253,974 134.299,977 141.253,978 20.584,979 113.715,982 141.253,984 134.299,986 0.592,987 0.37,988 0.227,989 0.136,990 23,991 8,994 6,995 1.5,996 3.231,997 180.522,998 0.6,999 18,1000 80.439,1005 10.221,1006 3.488,1007 1.244,1008 10.821,1010 26.513,1018 275.552,1019 36,1031 31.302,1032 34.491,1034 0.191,1035 0.312,1036 0.476,1037 0.698,1038 0.87,1039 0.963,1040 4.844,1041 1.198,1042 5.714,1043 3.201,1044 4.29,1045 5.094,1047 6.627,1048 4.29,1049 6.118,1050 1.114,1051 7.322,1052 2.795,1053 3.892,1054 5.094,1056 7.7,1057 3.892,1058 7.479,1059 0.507,1060 9.035,1061 2.707,1062 5.964,1063 7.583,1065 10.902,1066 5.964,1067 8.885,1068 -0.18,1069 10.813,1070 1.226,1071 6.431,1072 8.457,1074 12.837,1075 6.431,1076 10.326,1077 -0.286,1078 12.633,1079 -0.487,1080 7.955,1081 10.388,1083 15.562,1084 7.955,1085 11.793,1086 -0.501,1087 14.481,1088 -0.74,1089 8.834,1090 11.672,1092 17.844,1093 8.834,1094 13.281,1095 -0.67,1096 16.35,1097 -1.623,1098 10.145,1099 13.389,1101 20.42,1102 10.145,1103 3.386,1104 -0.903,1105 18.234,1106 -1.638,1107 11.21,1108 14.859,1110 22.841,1111 11.21,1112 2.895,1113 12.473,1114 20.131,1115 -2.292,1116 12.445,1117 16.5,1119 25.37,1120 12.445,1121 2.353,1122 10.063,1123 22.038,1124 5.079,1125 13.591,1126 18.051,1128 27.847,1129 13.591,1130 2.221,1131 7.759,1132 23.953,1133 4.343,1134 14.803,1135 19.669,1137 30.365,1138 14.803,1139 1.957,1140 6.799,1141 25.875,1142 3.529,1143 15.984,1144 21.255,1146 32.865,1147 15.984,1148 1.488,1149 6.093,1150 27.802,1151 3.332,1152 17.191,1153 22.868,1155 35.381,1156 17.191,1157 1.381,1158 3.963,1159 29.734,1160 2.935,1161 18.389,1162 24.471,1164 37.892,1165 18.389,1166 3333,1167 4837,1168 17.107,1169 24.568,1170 36.999,1171 36.999,1172 37.574,1173 36.999,1174 36.999,1175 55.499,1177 114.156,1178 36.999,1179 5.386,1180 5.386,1181 6.813,1182 5.386,1183 5.386,1184 8.079,1186 20.109,1187 5.386,1189 1.542,1190 1.542,1191 1.566,1192 1.542,1193 1.542,1194 2.312,1196 4.756,1197 1.542,1198 4.288,1199 4.299,1200 4.261,1201 4.269,1202 5.059,1203 4.266,1204 3.91,1205 3.931,1206 3.86,1207 3.874,1208 4.733,1209 3.868,1210 3.546,1211 3.578,1212 3.472,1213 3.494,1214 4.376,1215 3.485,1216 3.461,1217 3.497,1218 3.378,1219 3.402,1220 4.293,1221 3.392,1222 3.049,1223 3.098,1224 2.94,1225 2.971,1226 3.853,1227 2.958,1228 2.9,1229 2.95,1230 2.791,1231 2.822,1232 3.678,1233 2.809,1234 2.682,1235 2.744,1236 2.547,1237 2.585,1238 3.44,1239 2.569,1240 2.628,1241 2.677,1242 2.515,1243 2.548,1244 3.353,1245 2.534,1246 0.204,1247 0.141,1248 0.297,1249 0.183,1250 0.141,1251 4.886,1252 0.212,1253 3.386,1255 7.132,1256 0.52,1257 4.386,1258 0.141,1259 3.386,1260 5.079,1262 12.473,1263 3.386,1264 2.27,1265 2.261,1266 2.318,1267 2.298,1268 1.527,1269 2.305,1270 1.921,1271 1.901,1272 2.015,1273 1.976,1274 1.146,1275 1.99,1276 1.561,1277 1.532,1278 1.701,1279 1.643,1280 0.796,1281 1.664,1282 1.476,1283 1.443,1284 1.631,1285 1.567,1286 0.715,1287 1.59,1288 1.071,1289 1.027,1290 1.285,1291 1.196,1292 0.367,1293 1.229,1294 0.923,1295 0.878,1296 1.15,1297 1.054,1298 0.248,1299 1.089,1300 0.71,1301 0.654,1302 0.983,1303 0.869,1304 0.08,1305 0.911,1306 0.648,1307 0.604,1308 0.859,1309 0.772,1310 0.022,1311 0.804,1312 3.892,1314 5.263,1316 6.874,1318 8.6,1320 10.387,1340 23.161,1341 30.542,1342 49.961,1343 76.226,1344 111.735,1345 139.245,1346 154,1347 16.649,1348 8.073,1351 30,1352 12.791,1353 4.644,1354 3.7,1355 23.506,1356 50,1357 42,1358 0.251,1359 136.376,1360 211.86,1361 324.518,1362 34134,1364 13.104,1365 0.655,1366 0.546,1367 13.104,1368 10.928,1369 9.916,1370 0.413,1371 0.29,1372 6.97,1373 9.916,1374 6.794,1375 5.597,1376 9.916,1377 6.97,1378 9.128,1379 0.254,1380 0.151,1381 9.128,1382 5.454,1383 8.624,1384 0.157,1385 0.079,1386 8.624,1387 4.371,1388 8.139,1389 0.098,1390 0.042,1391 8.139,1392 3.489,1393 7.586,1394 0.062,1395 0.022,1396 7.586,1397 2.74,1398 0.364,1399 59.495,1400 0.242,1401 18.891,1402 0.792,1403 120,1404 236,1405 120,1406 247.467,1407 368.94,1408 236,1409 151,1410 295,1411 151,1412 308.799,1413 463.43,1414 295,1415 4.553}
{0 CHEMBL312310,1 1.374,2 17.15,3 10.305,4 106.197,5 170.017,6 7.196,7 0.489,8 4.452,9 4.581,10 4.001,11 4.068,12 5.355,13 4.001,14 5.053,15 5.242,16 4.382,17 4.51,18 5.902,19 4.406,20 5.387,21 5.64,22 4.484,23 4.664,24 6.17,25 4.531,26 5.372,27 5.624,28 4.443,29 4.629,30 6.18,31 4.495,32 5.368,33 5.617,34 4.357,35 4.652,36 6.105,37 4.498,38 5.437,39 5.697,40 4.335,41 4.678,42 6.133,43 4.485,44 5.467,45 5.755,46 4.204,47 4.623,48 6.109,49 4.391,50 5.339,51 5.633,52 4.013,53 4.463,54 5.989,55 4.222,56 0.075,57 1.119,58 17.758,59 7.805,60 8.633,61 11.019,62 0.17,63 1.927,64 35.129,65 14.282,66 22.183,67 20.274,68 0.365,69 2.522,70 55.727,71 19.507,72 40.411,73 27.887,74 0.532,75 2.536,76 53.77,77 18.153,78 49.095,79 26.397,80 0.367,81 2.511,82 50.679,83 18.818,84 34.665,85 27.15,86 0.402,87 2.55,88 56.68,89 21.648,90 37.728,91 30.838,92 0.394,93 2.463,94 65.267,95 23.301,96 39.722,97 32.591,98 0.434,99 2.096,100 63.419,101 20.578,102 41.967,103 28.492,104 5,105 62,106 0.209,107 0.477,108 0.611,109 0.717,110 0.747,111 0.747,112 3.717,113 1.075,114 -7.09,115 -6.89,116 -6.37,121 42.5,123 14,127 2,144 6,145 4,146 4,148 4,176 17,180 8,185 6,187 24,192 6,197 6,200 15,206 6,209 2,211 10,214 20,224 4,227 21,232 2,237 4,239 28,244 2,249 2,251 24,256 2,264 22,269 2,273 1,277 20,281 3108,282 27.827,283 27.827,284 27.827,285 27.827,286 27.827,287 25.203,288 26.767,289 16.919,290 28.323,291 22.322,292 22.322,293 22.322,294 22.322,295 22.322,296 18.134,297 26.098,298 8.149,299 23.239,300 4.948,301 3.178,302 2.299,303 1.6,304 1.4,305 1.4,306 4.439,308 2,313 1542,314 4,318 594.994,322 678.998,325 2.22,326 22.242,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.49,337 82.667,338 686,339 4.651,340 3.373,341 6.833,342 4.214,343 3.235,344 4.582,345 0.4,346 11.364,347 3.165,348 4.651,349 3.373,350 6.833,351 4.214,352 3.235,353 4.582,354 0.4,355 11.364,356 3.165,357 3.99,358 2.943,359 6.004,360 3.58,361 2.61,362 3.534,364 8.477,365 2.532,366 3.99,367 2.943,368 6.004,369 3.58,370 2.61,371 3.534,373 8.477,374 2.532,375 3.584,376 2.562,377 5.427,378 3.194,379 2.253,380 2.961,382 6.886,383 2.106,384 3.584,385 2.562,386 5.427,387 3.191,388 2.251,389 2.961,391 6.886,392 2.101,393 3.365,394 2.273,395 4.899,396 2.915,397 1.99,398 2.699,400 5.573,401 1.888,402 3.365,403 2.27,404 4.899,405 2.882,406 1.982,407 2.699,409 5.573,410 1.705,411 2.919,412 1.933,413 4.121,414 2.858,415 1.888,416 1.927,418 3.866,419 1.703,420 2.743,421 1.791,422 4.121,423 2.634,424 1.653,425 1.785,427 3.549,428 1.621,429 2.666,430 1.608,431 3.998,432 2.439,433 1.454,434 1.714,436 3.401,437 1.425,438 2.588,439 1.467,440 3.955,441 2.426,442 1.434,443 1.602,445 3.363,446 1.415,447 2.491,448 1.434,449 3.819,450 2.287,451 1.315,452 1.49,454 3.188,455 1.275,456 2.488,457 1.433,458 3.641,459 2.249,460 1.257,461 1.487,463 3.058,464 1.246,465 2.334,466 1.372,467 3.59,468 2.247,469 1.255,470 1.331,472 2.846,473 1.244,474 20.029,475 0.501,476 0.76,477 0.019,478 46,479 1.15,480 21,481 0.525,482 25,483 0.625,484 47.162,485 1.179,486 42.971,487 0.537,488 30.29,489 0.757,490 7.485,491 0.187,492 12.185,493 0.305,494 0.071,496 0.3,501 0.731,502 1.206,503 0.687,504 0.961,505 0.615,506 0.954,507 0.751,508 1.251,509 0.739,510 1.025,511 0.569,512 1.024,513 0.965,514 1.062,515 0.815,516 0.892,517 0.844,518 0.875,519 0.991,520 1.031,521 0.816,522 0.924,523 0.853,524 0.949,525 0.977,526 1.017,527 0.798,528 0.946,529 0.865,530 1.021,531 0.641,532 1.07,533 0.816,534 1.074,535 0.719,536 1.116,537 0.851,538 0.97,539 1.007,540 1.044,541 0.954,542 1.054,543 1.175,544 0.88,545 1.279,546 1.06,547 1.251,548 1.031,549 5.5,550 0.14,551 3.778,552 2.625,553 2.542,554 0.986,555 0.803,556 0.385,557 0.262,558 0.174,559 34205,560 75447,561 2.182,562 50,563 20,564 10,567 2,568 4,569 4,572 1.791,573 2.105,574 3.91,575 0.05,582 109.903,583 1.374,584 3.144,585 4.023,586 4.722,587 4.922,588 4.922,589 3.141,590 4.322,591 5.305,592 4.195,593 3271.94,594 9.3,595 63925.3,600 505.754,601 1.141,602 5.28,603 0.122,604 0.005,605 0.061,606 0.039,607 0.041,608 0.017,609 0.016,610 0.009,611 0.008,612 0.006,613 0.324,614 0.33,615 0.5,616 0.349,617 233.121,618 -0.01,619 -0.018,620 0.03,621 0.032,622 0.063,623 0.047,624 0.018,625 -0.147,626 0.025,627 -0.049,628 0.161,629 -0.035,630 0.008,631 -0.033,632 0.069,633 0.066,634 0.082,635 0.095,636 0.067,637 0.044,638 0.012,639 0.002,640 0.078,641 -0.003,642 -0.124,643 0.043,644 -0.049,645 -0.01,646 -0.118,647 -0.061,648 0.057,649 -0.085,650 -0.018,651 -0.102,652 -0.012,653 -0.126,654 -0.019,655 -0.059,656 -0.021,657 -0.044,658 -0.069,659 -0.051,660 -0.098,661 0.009,662 -0.098,663 -0.038,664 -0.133,665 -0.025,666 0.907,667 2.166,668 0.7,669 44.16,670 0.986,671 1.122,672 5.863,673 34.38,674 0.678,675 3.829,676 4.143,677 4.454,678 4.779,679 5.088,680 5.198,681 5.328,682 5.451,683 5.497,684 5.352,685 10.425,686 0.622,687 575.68,688 3.829,689 5.371,690 6.232,691 7.119,692 8.004,693 8.903,694 9.799,695 10.704,696 11.605,697 12.513,698 5,703 2,708 2,714 4,715 6,716 2,720 8,722 22,734 2,740 2,741 80,743 22,744 2,745 45,747 85,748 34,749 18,750 6,751 6,756 6,757 12,758 2,767 8,770 14,772 18,773 16,793 40,794 4,795 2,796 6,797 2,802 4,808 0.333,822 2,829 6,833 4,859 2,865 2,868 40,876 16,877 2,892 2,901 19,902 14.186,903 8.806,904 5.785,907 4.648,908 1.512,909 1.021,910 9.188,911 13.72,912 4.043,913 4.663,914 5.308,915 5.965,916 6.608,917 6.989,918 7.363,919 7.737,920 8.015,921 7.863,922 0.909,923 67,924 14.882,926 6.35,927 0.026,929 7.381,931 30.008,933 25.944,936 1.881,937 75.222,941 447.302,942 130.386,943 69.593,944 78.297,948 130.386,949 525.599,950 69.593,952 39.695,953 56.857,954 69.593,955 33.834,957 447.302,958 78.297,959 447.302,960 199.978,962 78.297,964 400.217,965 47.084,968 49.497,969 80.889,970 147.89,972 447.302,973 69.593,974 208.683,977 447.302,978 73.528,979 56.857,980 36.022,981 111.868,982 447.302,983 69.593,984 208.683,986 0.571,987 0.334,988 0.196,989 0.118,990 30,991 12,992 0.129,993 11,994 4,995 1.286,996 5.217,997 392.078,998 0.286,999 28,1000 168.877,1005 27.913,1006 13.167,1007 6.492,1008 4.467,1009 69.593,1010 12.26,1011 9.902,1015 9.513,1017 36.022,1018 725.578,1019 56,1031 78.843,1032 89.77,1034 0.217,1035 0.497,1036 0.636,1037 0.747,1038 0.779,1039 0.779,1040 5.286,1041 1.982,1042 6.196,1043 5.573,1044 4.828,1045 5.352,1046 0.495,1047 7.018,1048 4.753,1049 6.477,1050 1.888,1051 7.75,1052 5.573,1053 4.29,1054 5.247,1056 7.941,1057 4.13,1058 7.791,1059 1.653,1060 9.411,1061 3.866,1062 6.412,1063 7.632,1064 0.097,1065 11.112,1066 6.282,1067 9.148,1068 1.454,1069 11.142,1070 3.549,1071 6.758,1072 8.41,1074 12.925,1075 6.577,1076 10.545,1077 1.434,1078 12.918,1079 3.401,1080 8.303,1081 10.267,1082 0.016,1083 15.606,1084 8.134,1085 11.97,1086 1.315,1087 14.726,1088 3.363,1089 9.088,1090 11.445,1092 17.779,1093 8.887,1094 13.417,1095 1.257,1096 16.556,1097 3.188,1098 10.396,1099 13.098,1100 0.003,1101 20.296,1102 10.192,1103 3.235,1104 1.255,1105 18.404,1106 3.058,1107 11.393,1108 14.462,1110 22.616,1111 11.165,1112 3.235,1113 11.364,1114 20.265,1115 2.846,1116 12.608,1117 16.033,1119 25.076,1120 12.369,1121 2.61,1122 11.364,1123 22.136,1124 4.582,1125 13.7,1126 17.482,1128 27.458,1129 13.44,1130 2.61,1131 8.477,1132 24.015,1133 4.582,1134 14.882,1135 19.022,1137 29.898,1138 14.606,1139 2.253,1140 8.477,1141 25.901,1142 3.534,1143 16.018,1144 20.51,1146 32.307,1147 15.721,1148 2.251,1149 6.886,1150 27.792,1151 3.534,1152 17.189,1153 22.037,1155 34.74,1156 16.874,1157 1.99,1158 6.886,1159 29.687,1160 2.961,1161 18.344,1162 23.543,1164 37.16,1165 18.007,1166 30930,1167 46198,1168 31.205,1169 54.205,1170 66.025,1171 67.379,1172 67.813,1173 66.628,1174 66.206,1175 83.593,1176 1.6,1177 188.122,1178 63.392,1179 5.619,1180 5.373,1181 6.756,1182 5.255,1183 5.235,1184 7.582,1185 0.8,1186 18.902,1187 5.165,1188 13.115,1189 1.467,1190 1.497,1191 1.507,1192 1.481,1193 1.471,1194 1.858,1195 0.036,1196 4.18,1197 1.409,1198 4.138,1199 4.168,1200 4.146,1201 4.068,1202 5.054,1203 4.07,1204 4.09,1205 4.118,1206 4.106,1207 4.024,1208 5.021,1209 4.028,1210 3.782,1211 3.847,1212 3.782,1213 3.672,1214 4.687,1215 3.656,1216 3.736,1217 3.781,1218 3.775,1219 3.66,1220 4.682,1221 3.645,1222 3.736,1223 3.779,1224 3.613,1225 3.648,1226 4.281,1227 3.63,1228 3.604,1229 3.68,1230 3.462,1231 3.446,1232 4.232,1233 3.433,1234 3.4,1235 3.478,1236 3.41,1237 3.242,1238 4.163,1239 3.235,1240 3.272,1241 3.326,1242 3.351,1243 3.168,1244 4.146,1245 3.154,1246 0.103,1247 0.075,1248 0.152,1249 0.094,1250 0.072,1251 4.651,1252 0.102,1253 3.373,1254 0.009,1255 6.833,1256 0.253,1257 4.214,1258 0.07,1259 3.235,1260 4.582,1261 0.4,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.15,1267 2.159,1268 1.44,1269 2.159,1270 2.07,1271 2.047,1272 2.148,1273 2.158,1274 1.435,1275 2.158,1276 1.793,1277 1.731,1278 2.04,1279 1.953,1280 1.399,1281 1.986,1282 1.75,1283 1.71,1284 1.929,1285 1.864,1286 1.216,1287 1.893,1288 1.75,1289 1.709,1290 1.925,1291 1.863,1292 1.148,1293 1.891,1294 1.61,1295 1.538,1296 1.87,1297 1.804,1298 1.132,1299 1.831,1300 1.38,1301 1.311,1302 1.646,1303 1.603,1304 0.916,1305 1.623,1306 1.263,1307 1.216,1308 1.475,1309 1.425,1310 0.758,1311 1.448,1312 4.511,1314 5.826,1316 7.353,1318 8.994,1320 10.7,1323 12.555,1328 18.922,1329 7.602,1340 49.75,1341 109.903,1342 251.515,1343 321.806,1344 377.754,1345 393.754,1346 393.754,1347 61.937,1348 9.072,1349 49.84,1350 49.84,1351 36,1352 13.031,1353 4.524,1354 3.585,1355 57.983,1356 266,1357 180,1358 0.104,1359 307.119,1360 527.02,1361 741.13,1362 175424,1363 2.5,1364 27.313,1365 0.683,1366 0.624,1367 28.313,1368 24.94,1369 19.67,1370 0.437,1371 0.358,1372 15.359,1373 18.794,1374 15,1375 12.374,1376 20.247,1377 16.126,1378 17.306,1379 0.279,1380 0.2,1381 18.122,1382 12.409,1383 14.778,1384 0.174,1385 0.107,1386 15.303,1387 9.127,1388 12.989,1389 0.11,1390 0.059,1391 13.458,1392 6.918,1393 11.34,1394 0.07,1395 0.033,1396 11.803,1397 5.344,1398 0.173,1399 126.095,1400 0.179,1401 37.008,1402 0.258,1403 214,1404 458.363,1405 252.588,1406 519.492,1407 719.3,1408 490,1409 254,1410 504.74,1411 282.177,1412 534.571,1413 793.18,1414 510,1415 9.523}
{0 CHEMBL312761,1 1.374,2 17.15,3 9.387,4 88.123,5 160.84,6 6.785,7 0.489,8 4.456,9 4.589,10 3.949,11 4.036,12 5.415,13 3.985,14 5.057,15 5.25,16 4.312,17 4.469,18 5.983,19 4.384,20 5.394,21 5.653,22 4.415,23 4.615,24 6.258,25 4.506,26 5.378,27 5.634,28 4.368,29 4.592,30 6.267,31 4.474,32 5.371,33 5.623,34 4.284,35 4.616,36 6.161,37 4.478,38 5.442,39 5.706,40 4.214,41 4.632,42 6.224,43 4.457,44 5.476,45 5.772,46 4.061,47 4.546,48 6.231,49 4.348,50 5.353,51 5.659,52 3.881,53 4.367,54 6.151,55 4.174,56 0.06,57 1.29,58 18.132,59 8.102,60 6.995,61 11.029,62 0.152,63 2.177,64 34.518,65 14.28,66 26.033,67 19.935,68 0.403,69 2.803,70 50.974,71 18.546,72 54.647,73 26.634,74 0.61,75 2.761,76 50.254,77 17.53,78 66.363,79 25.744,80 0.373,81 2.665,82 49.073,83 18.381,84 38.383,85 26.636,86 0.465,87 2.81,88 53.045,89 21.026,90 49.002,91 30.01,92 0.471,93 2.829,94 56.655,95 21.728,96 60.18,97 30.348,98 0.575,99 2.538,100 51.394,101 18.692,102 75.873,103 25.64,104 5,105 62,106 0.209,107 0.477,108 0.611,109 0.717,110 0.747,111 0.747,112 3.717,113 1.025,114 -6.91,115 -6.72,116 -6.22,121 42.5,123 14,127 2,144 6,145 4,146 4,148 4,176 17,180 8,185 6,187 20,192 6,197 6,200 13,206 4,209 2,211 10,214 18,224 4,227 21,232 2,237 2,239 24,244 2,249 2,251 20,256 2,264 18,269 2,273 1,277 18,281 3108,282 27.827,283 27.827,284 27.827,285 27.827,286 27.827,287 25.203,288 26.82,289 16.919,290 28.175,291 22.322,292 22.322,293 22.322,294 22.322,295 22.322,296 18.134,297 26.14,298 8.149,299 22.946,300 4.948,301 3.178,302 2.299,303 1.6,304 1.4,305 1.4,306 4.439,313 1542,314 4,318 594.994,322 678.998,325 2.22,326 35.38,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.49,337 85,338 686,339 4.651,340 3.372,341 6.833,342 4.214,343 3.235,344 4.582,345 0.4,346 11.364,347 3.168,348 4.651,349 3.372,350 6.833,351 4.214,352 3.235,353 4.582,354 0.4,355 11.364,356 3.168,357 3.99,358 2.926,359 6.004,360 3.59,361 2.61,362 3.534,364 8.477,365 2.557,366 3.99,367 2.926,368 6.004,369 3.59,370 2.61,371 3.534,373 8.477,374 2.557,375 3.584,376 2.557,377 5.427,378 3.207,379 2.253,380 2.961,382 6.886,383 2.14,384 3.584,385 2.557,386 5.427,387 3.205,388 2.251,389 2.961,391 6.886,392 2.137,393 3.365,394 2.269,395 4.899,396 2.938,397 1.99,398 2.699,400 5.573,401 1.901,402 3.365,403 2.267,404 4.899,405 2.919,406 1.982,407 2.699,409 5.573,410 1.84,411 2.919,412 1.933,413 4.121,414 2.873,415 1.888,416 1.927,418 3.866,419 1.826,420 2.743,421 1.791,422 4.121,423 2.634,424 1.653,425 1.785,427 3.549,428 1.621,429 2.666,430 1.608,431 3.998,432 2.441,433 1.454,434 1.714,436 3.401,437 1.434,438 2.588,439 1.466,440 3.955,441 2.428,442 1.434,443 1.602,445 3.363,446 1.423,447 2.491,448 1.434,449 3.819,450 2.287,451 1.315,452 1.49,454 3.188,455 1.276,456 2.488,457 1.433,458 3.641,459 2.249,460 1.257,461 1.487,463 3.058,464 1.247,465 2.334,466 1.372,467 3.59,468 2.247,469 1.255,470 1.331,472 2.846,473 1.244,474 19.171,475 0.479,476 0.76,477 0.019,478 46,479 1.15,480 21,481 0.525,482 25,483 0.625,484 45.097,485 1.127,486 43.829,487 0.548,488 32.356,489 0.809,490 7.747,491 0.194,492 11.923,493 0.298,494 0.03,496 0.313,499 2,501 0.608,502 1.074,503 0.85,504 1.068,505 0.499,506 1.007,507 0.634,508 1.122,509 0.914,510 1.14,511 0.483,512 1.081,513 0.867,514 0.984,515 0.859,516 0.912,517 0.758,518 0.885,519 0.766,520 0.869,521 0.973,522 0.946,523 0.606,524 0.972,525 0.702,526 0.892,527 1.051,528 1.04,529 0.506,530 1.075,531 0.54,532 0.93,533 1.036,534 1.159,535 0.536,536 1.17,537 0.918,538 0.995,539 1.019,540 1.061,541 0.993,542 1.061,543 1.355,544 0.99,545 1.079,546 0.94,547 1.478,548 0.968,549 5.5,550 0.14,551 3.778,552 2.625,553 2.542,554 0.986,555 0.803,556 0.385,557 0.262,558 0.174,559 34205,560 75447,561 2.182,562 50,563 20,564 10,567 2,568 4,569 4,572 1.791,573 2.105,574 3.91,575 0.05,582 109.903,583 1.374,584 3.144,585 4.023,586 4.722,587 4.922,588 4.922,589 3.141,590 4.322,591 5.305,592 4.195,593 3271.94,594 9.3,595 63925.3,600 505.754,601 1.141,602 5.28,603 0.122,604 0.005,605 0.061,606 0.039,607 0.041,608 0.017,609 0.016,610 0.009,611 0.008,612 0.006,613 0.324,614 0.33,615 0.5,616 0.349,617 233.121,618 -0.013,619 -0.017,620 0.053,621 0.037,622 0.016,623 0.051,624 0.011,625 -0.146,626 0.011,627 -0.091,628 0.083,629 -0.052,630 -0.011,631 -0.043,632 0.115,633 0.065,634 0.018,635 0.1,636 0.062,637 0.058,638 -0.002,639 0.007,640 0.055,641 -0.005,642 -0.065,643 -0.018,644 -0.111,645 -0.063,646 -0.022,647 -0.084,648 0.079,649 -0.072,650 -0.101,651 -0.159,652 0.038,653 -0.159,654 -0.02,655 -0.08,656 -0.04,657 -0.075,658 -0.044,659 -0.064,660 -0.105,661 0.04,662 -0.051,663 0.033,664 -0.117,665 0.007,666 1.888,667 5.853,668 0.7,669 44.16,670 0.99,671 1.132,672 5.684,673 32.313,674 0.655,675 3.829,676 4.143,677 4.454,678 4.779,679 5.088,680 5.198,681 5.328,682 5.451,683 5.497,684 5.352,685 10.425,686 0.611,687 542.78,688 3.829,689 5.371,690 6.232,691 7.119,692 8.004,693 8.903,694 9.799,695 10.704,696 11.605,697 12.513,698 5,703 2,708 2,714 4,715 6,716 2,720 8,722 22,734 2,740 2,741 80,743 22,744 2,745 45,747 85,748 34,749 18,750 6,751 6,756 6,757 12,767 8,770 14,772 18,773 16,791 2,793 40,794 6,795 2,796 6,802 4,808 0.333,822 2,829 6,833 4,859 2,866 2,868 40,876 16,877 2,892 2,901 19,902 14.186,903 8.806,904 5.785,907 4.648,908 1.512,909 1.026,910 8.658,911 13.72,912 4.043,913 4.663,914 5.308,915 5.965,916 6.608,917 6.989,918 7.363,919 7.737,920 8.015,921 7.863,922 0.909,923 67,924 14.967,926 6.493,927 0.026,929 7.575,931 29.728,933 25.727,936 2.075,937 83,941 447.302,942 141.627,943 69.593,946 29.92,948 141.627,949 447.302,950 99.513,952 39.695,953 56.857,954 69.593,955 45.074,956 29.92,957 447.302,959 447.302,960 211.219,961 29.92,964 430.138,965 47.084,968 49.497,969 92.13,970 69.593,972 477.222,973 69.593,974 141.627,977 447.302,978 84.769,979 56.857,980 36.022,981 63.491,982 447.302,983 99.513,984 141.627,986 0.571,987 0.334,988 0.196,989 0.118,990 30,991 12,992 0.129,993 11,994 4,995 1.286,996 5.217,997 392.078,998 0.286,999 28,1000 172.877,1005 27.245,1006 12.711,1007 6.219,1008 3.624,1009 99.513,1010 9.986,1011 9.572,1015 6.888,1017 36.022,1018 688.441,1019 56,1031 79.221,1032 90.561,1034 0.217,1035 0.497,1036 0.636,1037 0.747,1038 0.779,1039 0.779,1040 5.286,1041 1.982,1042 6.196,1043 5.573,1044 4.828,1045 5.352,1046 0.495,1047 7.018,1048 4.773,1049 6.477,1050 1.888,1051 7.75,1052 5.573,1053 4.29,1054 5.247,1056 7.941,1057 4.187,1058 7.791,1059 1.653,1060 9.411,1061 3.866,1062 6.412,1063 7.632,1064 0.097,1065 11.112,1066 6.31,1067 9.148,1068 1.454,1069 11.142,1070 3.549,1071 6.758,1072 8.41,1074 12.925,1075 6.619,1076 10.545,1077 1.434,1078 12.918,1079 3.401,1080 8.303,1081 10.267,1082 0.016,1083 15.606,1084 8.161,1085 11.97,1086 1.315,1087 14.726,1088 3.363,1089 9.088,1090 11.445,1092 17.779,1093 8.919,1094 13.417,1095 1.257,1096 16.556,1097 3.188,1098 10.396,1099 13.098,1100 0.003,1101 20.296,1102 10.217,1103 3.235,1104 1.255,1105 18.404,1106 3.058,1107 11.393,1108 14.462,1110 22.616,1111 11.19,1112 3.235,1113 11.364,1114 20.265,1115 2.846,1116 12.608,1117 16.033,1119 25.076,1120 12.391,1121 2.61,1122 11.364,1123 22.136,1124 4.582,1125 13.7,1126 17.482,1128 27.458,1129 13.462,1130 2.61,1131 8.477,1132 24.015,1133 4.582,1134 14.882,1135 19.022,1137 29.898,1138 14.626,1139 2.253,1140 8.477,1141 25.901,1142 3.534,1143 16.018,1144 20.51,1146 32.307,1147 15.74,1148 2.251,1149 6.886,1150 27.792,1151 3.534,1152 17.189,1153 22.037,1155 34.74,1156 16.893,1157 1.99,1158 6.886,1159 29.687,1160 2.961,1161 18.344,1162 23.543,1164 37.16,1165 18.027,1166 30930,1167 46198,1168 31.205,1169 52.364,1170 66.025,1171 67.295,1172 67.813,1173 66.387,1174 66.206,1175 83.593,1176 1.6,1177 188.122,1178 64.278,1179 5.619,1180 5.372,1181 6.756,1182 5.256,1183 5.235,1184 7.582,1185 0.8,1186 18.902,1187 5.168,1188 13.115,1189 1.467,1190 1.495,1191 1.507,1192 1.475,1193 1.471,1194 1.858,1195 0.036,1196 4.18,1197 1.428,1198 4.14,1199 4.171,1200 4.102,1201 4.062,1202 8.203,1203 4.068,1204 4.092,1205 4.12,1206 4.061,1207 4.018,1208 8.2,1209 4.025,1210 3.783,1211 3.848,1212 3.65,1213 3.665,1214 4.95,1215 3.651,1216 3.739,1217 3.786,1218 3.641,1219 3.649,1220 4.916,1221 3.639,1222 3.739,1223 3.785,1224 3.61,1225 3.643,1226 4.312,1227 3.628,1228 3.604,1229 3.681,1230 3.443,1231 3.445,1232 4.306,1233 3.432,1234 3.403,1235 3.482,1236 3.273,1237 3.227,1238 4.279,1239 3.227,1240 3.279,1241 3.338,1242 3.169,1243 3.144,1244 4.229,1245 3.141,1246 0.103,1247 0.075,1248 0.152,1249 0.094,1250 0.072,1251 4.651,1252 0.102,1253 3.372,1254 0.009,1255 6.833,1256 0.253,1257 4.214,1258 0.07,1259 3.235,1260 4.582,1261 0.4,1262 11.364,1263 3.168,1264 2.069,1265 2.045,1266 2.152,1267 2.164,1268 1.44,1269 2.161,1270 2.069,1271 2.045,1272 2.151,1273 2.163,1274 1.435,1275 2.16,1276 1.793,1277 1.731,1278 2.04,1279 1.953,1280 1.399,1281 1.987,1282 1.749,1283 1.706,1284 1.934,1285 1.874,1286 1.216,1287 1.897,1288 1.749,1289 1.705,1290 1.931,1291 1.873,1292 1.142,1293 1.896,1294 1.609,1295 1.538,1296 1.872,1297 1.806,1298 1.126,1299 1.832,1300 1.379,1301 1.307,1302 1.648,1303 1.608,1304 0.915,1305 1.625,1306 1.26,1307 1.208,1308 1.478,1309 1.441,1310 0.757,1311 1.454,1312 4.511,1314 5.826,1316 7.353,1318 8.994,1320 10.7,1324 27.705,1328 17.813,1329 7.413,1340 48.861,1341 109.903,1342 251.515,1343 321.806,1344 377.754,1345 393.754,1346 393.754,1347 73.858,1348 9.072,1349 49.84,1350 49.84,1351 36,1352 13.031,1353 4.524,1354 3.585,1355 57.983,1356 266,1357 180,1358 0.104,1359 292.849,1360 508.74,1361 706.312,1362 175424,1363 2.5,1364 27.313,1365 0.683,1366 0.586,1367 25.572,1368 23.428,1369 19.67,1370 0.437,1371 0.342,1372 15.249,1373 19.175,1374 15,1375 12.374,1376 18.882,1377 15.37,1378 17.306,1379 0.279,1380 0.186,1381 16.038,1382 11.536,1383 14.778,1384 0.174,1385 0.102,1386 14.107,1387 8.657,1388 12.989,1389 0.11,1390 0.056,1391 12.46,1392 6.585,1393 11.34,1394 0.07,1395 0.031,1396 10.907,1397 5.051,1398 0.173,1399 121.476,1400 0.179,1401 37.008,1402 0.258,1403 214,1404 578.178,1405 229.211,1406 519.492,1407 719.3,1408 490,1409 254,1410 537.681,1411 268.48,1412 534.571,1413 793.18,1414 510,1415 9.155}
{0 CHEMBL313231,1 1.356,2 12.519,3 2.895,4 8.38,5 104.541,6 6.664,7 0.4,8 4.088,9 4.205,10 3.575,11 3.623,12 5.045,13 3.583,14 4.695,15 4.875,16 3.934,17 4.058,18 5.59,19 3.992,20 4.996,21 5.218,22 3.923,23 4.255,24 5.825,25 4.119,26 5.15,27 5.432,28 3.775,29 4.232,30 5.883,31 4.047,32 5.04,33 5.332,34 3.719,35 4.123,36 5.804,37 3.945,38 4.909,39 5.166,40 3.667,41 4.047,42 5.768,43 3.886,44 4.853,45 5.119,46 3.465,47 3.958,48 5.626,49 3.771,50 4.712,51 4.995,52 3.395,53 3.804,54 5.421,55 3.627,56 0.035,57 0.742,58 12.848,59 5.608,60 6.158,61 7.512,62 0.324,63 1.279,64 24.922,65 9.34,66 20.23,67 12.882,68 0.218,69 1.659,70 33.462,71 13.497,72 30.561,73 18.847,74 0.339,75 1.803,76 40.063,77 15.173,78 42.848,79 21.761,80 0.387,81 1.612,82 35.963,83 13.571,84 43.461,85 19.646,86 0.373,87 1.424,88 31.427,89 12.014,90 43.725,91 16.922,92 0.346,93 1.323,94 29.835,95 11.428,96 39.532,97 16.071,98 0.188,99 1.153,100 25.687,101 9.936,102 23.655,103 14.205,104 5,105 42,106 0.225,107 0.522,108 0.74,109 0.823,110 0.837,111 0.837,112 3.339,113 1.008,114 -1.26,115 -1.35,116 -1.41,121 41.8,123 4,124 1,126 1,127 3,128 1,144 8,145 2,146 2,159 1,176 13,179 1,180 4,187 13,189 3,192 7,200 9,203 3,206 4,214 6,216 3,218 1,219 3,227 10,229 2,231 1,232 2,239 12,244 2,246 1,251 9,253 1,256 3,264 5,266 2,269 3,277 4,279 1,281 1108,282 18.361,283 18.361,284 18.361,285 18.361,286 18.361,287 16.794,288 20.878,289 10.843,290 18.612,291 14.81,292 14.81,293 14.81,294 14.81,295 14.81,296 12.412,297 24.307,298 5.172,299 15.219,300 4.426,301 2.64,302 1.328,303 0.827,304 0.741,305 0.741,306 4.038,310 1,311 1,312 1,313 747,314 3.391,317 73.828,318 274.273,321 127.269,325 2.055,326 20.747,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 57.5,338 338,339 4.342,340 3.679,341 6.998,342 4.22,343 3.303,344 3.981,345 1.392,346 11.915,347 3.035,348 4.325,349 3.61,350 6.257,351 3.964,352 2.988,353 3.531,354 1.277,355 9.438,356 2.933,357 3.906,358 3.277,359 5.904,360 3.612,361 2.619,362 3.247,363 1.26,364 8.169,365 2.566,366 3.807,367 2.605,368 5.348,369 3.45,370 2.452,371 3.159,372 0.532,373 6.964,374 2.443,375 3.383,376 2.383,377 5.249,378 3.309,379 2.319,380 2.403,381 0.245,382 6.673,383 2.288,384 2.899,385 2.083,386 4.405,387 2.521,388 1.535,389 2.034,391 4.288,392 1.52,393 2.876,394 1.987,395 4.166,396 2.472,397 1.502,398 2.023,400 3.788,401 1.437,402 2.854,403 1.609,404 3.802,405 2.434,406 1.435,407 1.908,409 3.073,410 1.428,411 2.5,412 1.534,413 3.709,414 2.058,415 1.059,416 1.5,418 2.387,419 1.058,420 2.179,421 1.114,422 3.439,423 2,424 1,425 1.152,427 2.372,428 1,429 2,430 1.077,431 3.324,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.803,439 1,440 3.247,441 1.651,442 0.639,443 0.709,445 1.483,446 0.642,447 1.62,448 0.77,449 3.082,450 1.322,451 0.375,452 0.443,454 0.925,455 0.352,456 1.216,457 0.389,458 2.945,459 1.031,460 0.042,461 0.046,463 0.107,464 0.041,465 0.884,466 0.068,467 2.482,468 0.703,469 -0.284,470 -0.314,472 -0.683,473 -0.278,474 12.9,475 0.478,476 0.646,477 0.024,478 31.75,479 1.176,480 14.5,481 0.537,482 17.25,483 0.639,484 24.705,485 0.915,486 30,487 0.545,488 21.237,489 0.787,490 6.035,491 0.224,492 7.077,493 0.262,494 0.065,495 0.031,496 0.233,501 0.78,502 1.371,503 0.868,504 1.2,505 0.58,506 1.066,507 1.085,508 0.988,509 1.012,510 0.94,511 0.627,512 0.946,513 0.775,514 1.213,515 1.096,516 1.213,517 0.817,518 1.196,519 0.752,520 0.998,521 0.954,522 1,523 0.956,524 1.002,525 0.554,526 0.882,527 0.819,528 0.89,529 0.813,530 0.886,531 0.809,532 0.993,533 1.002,534 1.025,535 1.287,536 1.036,537 0.925,538 0.981,539 1.08,540 1.021,541 1.394,542 1.07,543 0.645,544 0.997,545 0.856,546 0.992,547 0.593,548 0.96,549 6,550 0.139,551 3.111,552 1.382,553 1.413,554 0.691,555 0.452,556 0.298,557 0.211,558 0.148,559 10625,560 22948,561 2.133,562 50.9,563 3,564 17,565 2,568 2,569 4,572 1.693,573 2.038,574 3.61,575 -0.843,576 1,577 1,582 74.572,583 1.356,584 3.141,585 4.454,586 4.954,587 5.04,588 5.04,589 3.087,590 4.459,591 4.728,592 3.793,593 1331.21,594 8.164,595 17969.2,597 1,599 1,600 317.975,601 1.326,602 4.698,603 0.2,604 0.007,605 0.074,606 0.035,607 0.044,608 0.022,609 0.016,610 0.013,611 0.01,612 0.007,613 0.428,614 0.5,615 1,616 0.454,617 137.036,618 0.022,619 -0.179,620 0.081,621 -0.078,622 0.011,623 -0.006,624 0.006,625 0.148,626 -0.015,627 0.078,628 0.057,629 0.043,630 -0.043,631 -0.173,632 -0.15,633 -0.189,634 0.018,635 -0.183,636 -0.009,637 -0.05,638 0.002,639 -0.035,640 -0.007,641 -0.018,642 0.13,643 0.062,644 0.134,645 0.069,646 0.099,647 0.099,648 0.063,649 -0.025,650 -0.034,651 -0.043,652 -0.012,653 -0.049,654 -0.038,655 -0.038,656 -0.112,657 -0.045,658 -0.173,659 -0.086,660 0.049,661 -0.063,662 0.094,663 -0.018,664 0.034,665 0.034,666 1.458,667 5.555,668 0.778,669 27.226,670 0.991,671 1.122,672 0.027,673 0.001,674 0.648,675 3.434,676 3.761,677 3.989,678 4.205,679 4.407,680 4.394,681 4.454,682 4.543,683 4.466,684 4.522,685 7.401,686 0.605,687 366.52,688 3.434,689 4.977,690 5.814,691 6.686,692 7.537,693 8.411,694 9.268,695 10.142,696 11.001,697 11.875,698 1.8,712 1,715 8,720 4,722 12,727 1,739 2,741 55,743 13,744 2,745 30,747 58,748 23,749 12,750 4,751 8,752 1,756 4,757 5,767 2,768 1,770 4,772 13,773 10,774 1,777 1,782 1,786 1,789 1,790 1,793 28,794 3,796 4,802 1,803 1,807 1,808 0.75,809 3,828 1,829 3,832 1,859 3,864 1,868 27,876 8,878 2,880 1,883 1,893 5.5,896 1,898 2,901 13.25,902 10,903 5.847,904 3.597,907 1.965,908 1.265,909 0.956,910 5.398,911 9.389,912 3.638,913 4.159,914 4.625,915 5.081,916 5.545,917 5.57,918 5.755,919 5.825,920 5.659,921 5.817,922 1,923 39,924 10.057,926 4.285,927 0.026,929 7.543,931 19.898,933 16.944,936 2.043,937 55.167,940 1,941 329.591,942 129.303,945 47.145,948 129.303,949 376.736,951 8.396,952 23.105,953 75.81,954 30.278,955 38.858,956 23.542,957 306.049,959 329.591,960 129.303,961 47.145,964 282.506,965 94.229,968 23.105,969 106.198,972 329.591,973 47.145,974 129.303,977 329.591,978 45.097,979 84.206,981 47.145,982 329.591,983 47.145,984 129.303,986 0.584,987 0.333,988 0.17,989 0.093,990 21,991 8,992 0.103,993 6,994 1,995 1.095,996 4.077,997 223.165,998 0.095,999 21,1000 120.382,1005 18.367,1006 7.935,1007 4.466,1009 47.145,1010 16.269,1015 3.568,1018 506.039,1019 37,1024 12.555,1028 0.209,1031 54.512,1032 61.732,1034 0.235,1035 0.543,1036 0.77,1037 0.857,1038 0.872,1039 0.872,1040 4.89,1041 1.435,1042 5.814,1043 3.788,1044 4.443,1045 4.844,1046 2.413,1047 6.624,1048 4.389,1049 6.07,1050 1.059,1051 7.376,1052 3.073,1053 4.111,1054 4.575,1055 0.931,1056 7.769,1057 3.976,1058 7.369,1059 1,1060 9.047,1061 2.387,1062 6.089,1063 6.906,1064 2.822,1065 10.738,1066 5.953,1067 8.701,1068 1,1069 10.787,1070 2.372,1071 6.594,1072 7.418,1073 1.381,1074 12.724,1075 6.355,1076 10.066,1077 0.639,1078 12.573,1079 2.136,1080 8.05,1081 9.257,1082 3.346,1083 15.288,1084 7.799,1085 11.45,1086 0.375,1087 14.391,1088 1.483,1089 8.918,1090 10.127,1091 1.783,1092 17.576,1093 8.56,1094 12.85,1095 0.042,1096 16.231,1097 0.925,1098 10.181,1099 11.752,1100 3.906,1101 20.047,1102 9.792,1103 3.303,1104 -0.284,1105 18.089,1106 0.107,1107 11.212,1108 12.816,1109 2.192,1110 22.446,1111 10.721,1112 2.988,1113 11.915,1114 19.96,1115 -0.683,1116 12.407,1117 14.329,1118 4.485,1119 24.904,1120 11.864,1121 2.619,1122 9.438,1123 21.842,1124 3.981,1125 13.513,1126 15.507,1127 2.615,1128 27.346,1129 12.874,1130 2.452,1131 8.169,1132 23.732,1133 3.531,1134 14.686,1135 16.958,1136 5.076,1137 29.807,1138 13.982,1139 2.319,1140 6.964,1141 25.63,1142 3.247,1143 15.828,1144 18.208,1145 3.05,1146 32.266,1147 15.032,1148 1.535,1149 6.673,1150 27.535,1151 3.159,1152 16.999,1153 19.623,1154 5.677,1155 34.733,1156 16.127,1157 1.502,1158 4.288,1159 29.444,1160 2.403,1161 18.159,1162 20.919,1163 3.495,1164 37.201,1165 17.198,1166 9843,1167 14677,1168 20.455,1169 35.648,1170 44.923,1171 46.025,1172 45.352,1173 44.612,1174 44.537,1175 54.278,1176 9.411,1177 127.435,1178 43.449,1179 5.342,1180 5.679,1181 6.8,1182 5.255,1183 5.303,1184 6.981,1185 2.783,1186 18.337,1187 5.035,1188 9.244,1189 1.497,1190 1.534,1191 1.512,1192 1.487,1193 1.485,1194 1.809,1195 0.314,1196 4.248,1197 1.448,1198 4.035,1199 4.087,1200 3.958,1201 3.92,1202 7.427,1203 3.923,1204 3.955,1205 3.971,1206 3.894,1207 3.859,1208 4.999,1209 3.862,1210 3.836,1211 3.877,1212 3.735,1213 3.738,1214 4.757,1215 3.731,1216 3.596,1217 3.645,1218 3.493,1219 3.411,1220 4.371,1221 3.42,1222 3.372,1223 3.412,1224 3.253,1225 3.162,1226 4.295,1227 3.178,1228 3.169,1229 3.23,1230 3.01,1231 2.953,1232 3.983,1233 2.96,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.953,1239 2.91,1240 2.969,1241 3.055,1242 2.794,1243 2.819,1244 3.674,1245 2.802,1246 0.145,1247 0.123,1248 0.233,1249 0.141,1250 0.11,1251 4.342,1252 0.133,1253 3.679,1254 0.046,1255 6.998,1256 0.397,1257 4.22,1258 0.101,1259 3.303,1260 3.981,1261 1.392,1262 11.915,1263 3.035,1264 1.974,1265 1.929,1266 2.147,1267 2.14,1268 1.543,1269 2.147,1270 1.896,1271 1.878,1272 2.022,1273 1.989,1274 1.231,1275 1.996,1276 1.835,1277 1.794,1278 1.962,1279 1.939,1280 1.101,1281 1.952,1282 1.544,1283 1.483,1284 1.781,1285 1.738,1286 1.001,1287 1.757,1288 1.274,1289 1.218,1290 1.561,1291 1.523,1292 0.825,1293 1.514,1294 1.156,1295 1.121,1296 1.513,1297 1.483,1298 0.783,1299 1.481,1300 1.153,1301 1.064,1302 1.438,1303 1.376,1304 0.579,1305 1.429,1306 1.005,1307 0.928,1308 1.362,1309 1.222,1310 0.504,1311 1.276,1312 4.111,1314 5.434,1315 2.398,1316 6.946,1317 4.595,1318 8.539,1319 6.581,1320 10.172,1322 2.362,1328 7.745,1330 10.694,1332 0.657,1335 1.108,1340 33.278,1341 74.572,1342 172.781,1343 244.955,1344 272.465,1345 277.22,1346 277.22,1347 43.513,1348 7.424,1349 35.53,1350 35.53,1351 23,1352 12.418,1353 3.807,1354 3,1355 40.592,1356 122,1357 106,1358 0.16,1359 201.576,1360 355.43,1361 483.605,1362 18636,1364 18.692,1365 0.692,1366 0.595,1367 18.692,1368 16.078,1369 13.112,1370 0.437,1371 0.336,1372 9.948,1373 12.66,1374 9.712,1375 8.05,1376 13.112,1377 10.081,1378 12.041,1379 0.287,1380 0.201,1381 12.041,1382 8.446,1383 9.984,1384 0.188,1385 0.118,1386 9.984,1387 6.26,1388 7.945,1389 0.12,1390 0.068,1391 7.945,1392 4.478,1393 6.418,1394 0.079,1395 0.043,1396 6.418,1397 3.468,1398 0.26,1399 81.846,1400 0.221,1401 26.606,1402 0.415,1403 144,1404 355.539,1405 155.853,1406 337.402,1407 461.54,1408 318,1409 167,1410 335.517,1411 180.243,1412 340.571,1413 496.23,1414 319,1415 7.381}
{0 CHEMBL313234,1 1.341,2 12.722,3 3.764,4 14.168,5 140.964,6 6.759,7 0.45,8 4.354,9 4.468,10 3.844,11 3.906,12 5.362,13 3.866,14 4.943,15 5.115,16 4.211,17 4.348,18 5.842,19 4.284,20 5.27,21 5.469,22 4.346,23 4.567,24 6.169,25 4.462,26 5.47,27 5.714,28 4.332,29 4.619,30 6.375,31 4.487,32 5.484,33 5.732,34 4.331,35 4.646,36 6.338,37 4.509,38 5.483,39 5.728,40 4.292,41 4.673,42 6.34,43 4.518,44 5.48,45 5.746,46 4.169,47 4.594,48 6.336,49 4.418,50 5.306,51 5.57,52 4.096,53 4.436,54 6.155,55 4.284,56 0.057,57 0.951,58 16.501,59 7.397,60 13.714,61 9.739,62 0.271,63 1.645,64 31.309,65 12.397,66 28.127,67 16.71,68 0.379,69 2.2,70 43.822,71 17.693,72 42.382,73 24.181,74 0.593,75 2.552,76 55.308,77 20.801,78 92.393,79 28.876,80 0.693,81 2.581,82 56.231,83 21.311,84 78.371,85 29.574,86 0.534,87 2.612,88 55.344,89 22.07,90 72.872,91 30.705,92 0.758,93 2.532,94 56.198,95 21.643,96 96.084,97 30.422,98 0.352,99 2.127,100 46.761,101 18.373,102 62.251,103 25.618,104 21,105 57,106 0.209,107 0.513,108 0.696,109 0.755,110 0.771,111 0.775,112 3.616,113 0.98,114 -1.44,115 -1.52,116 -1.57,121 43.1,123 3,124 2,126 2,127 4,129 1,144 12,145 4,146 2,159 1,176 19,180 4,185 2,187 20,189 4,191 1,192 7,197 3,200 13,203 5,206 5,209 1,211 2,214 9,216 4,218 1,219 5,224 2,226 1,227 20,229 3,231 1,239 24,241 1,244 2,246 1,247 2,249 2,251 20,253 2,256 4,261 4,264 16,266 2,269 2,274 4,277 16,281 2364,282 24.723,283 24.723,284 24.723,285 24.723,286 24.723,287 22.429,288 29.287,289 14.433,290 25.205,291 19.6,292 19.6,293 19.6,294 19.6,295 19.6,296 16.095,297 35.717,298 6.685,299 20.21,300 4.829,301 2.873,302 1.695,303 1.32,304 1.215,305 1.188,306 4.321,312 1,313 1000,314 3.808,317 88.414,318 503.718,321 168.955,325 1.975,326 33.936,329 1,330 0.83,331 1,332 1,333 0.5,334 1,335 1,336 0.9,337 76.5,338 458,339 4.546,340 3.828,341 7.243,342 4.322,343 3.393,344 4.176,345 1.31,346 12.881,347 3.284,348 4.418,349 3.769,350 6.846,351 4.259,352 3.267,353 3.61,354 1.277,355 11.305,356 3.116,357 4.075,358 3.191,359 6.3,360 3.82,361 2.86,362 3.43,363 0.86,364 9.458,365 2.746,366 3.873,367 2.889,368 5.998,369 3.531,370 2.561,371 3.411,372 0.86,373 8.401,374 2.473,375 3.787,376 2.67,377 5.368,378 3.471,379 2.473,380 3.14,381 0.359,382 7.008,383 2.468,384 3.673,385 2.555,386 5.358,387 3.34,388 2.352,389 2.802,390 0.13,391 6.669,392 2.314,393 3.263,394 2.514,395 5.242,396 2.935,397 1.936,398 2.456,400 6.235,401 1.926,402 3.017,403 2.197,404 4.938,405 2.788,406 1.811,407 2.114,409 5.475,410 1.77,411 2.897,412 1.899,413 4.323,414 2.461,415 1.463,416 2.063,418 3.643,419 1.46,420 2.849,421 1.558,422 3.887,423 2.418,424 1.427,425 1.985,427 3.113,428 1.414,429 2.593,430 1.511,431 3.802,432 2.315,433 1.367,434 1.558,436 3.045,437 1.275,438 2.5,439 1.371,440 3.728,441 2,442 1,443 1.5,445 2.372,446 1,447 2.5,448 1.079,449 3.638,450 2,451 1,452 1.5,454 2.36,455 1,456 2.05,457 1.077,458 3.306,459 1.984,460 1,461 1,463 2.136,464 0.983,465 2,466 1,467 3.247,468 1.859,469 0.922,470 0.994,472 2.136,473 0.854,474 17.233,475 0.479,476 0.829,477 0.023,478 43,479 1.194,480 20.5,481 0.569,482 22.5,483 0.625,484 37.851,485 1.051,486 39.467,487 0.548,488 34.841,489 0.968,490 8.429,491 0.234,492 9.086,493 0.252,494 0.097,495 0.023,496 0.29,501 0.829,502 1.257,503 0.876,504 1.123,505 0.719,506 1.022,507 1.154,508 0.994,509 1,510 0.933,511 0.758,512 0.933,513 0.857,514 1.228,515 1.053,516 1.19,517 0.915,518 1.15,519 1.011,520 1.056,521 1.006,522 1.028,523 1.144,524 1.016,525 0.99,526 0.944,527 0.997,528 0.945,529 1.014,530 0.967,531 0.784,532 1.061,533 1.041,534 1.084,535 0.99,536 1.093,537 0.764,538 0.964,539 1,540 0.989,541 1.129,542 1.021,543 0.806,544 1.001,545 0.89,546 1.004,547 0.886,548 0.967,549 7.5,550 0.327,551 4,552 3.201,553 2.445,554 1.379,555 1.038,556 0.635,557 0.494,558 0.267,559 19799,560 44277,561 2.113,562 50,563 2,564 27,567 1,568 1,569 5,572 1.777,573 1.991,574 3.641,575 -0.465,582 96.537,583 1.341,584 3.297,585 4.475,586 4.85,587 4.955,588 4.982,589 3.055,590 4.371,591 5.141,592 3.836,593 2416.88,594 9.05,595 38391.5,600 444.235,601 1.463,602 5.103,603 0.188,604 0.008,605 0.07,606 0.052,607 0.042,608 0.023,609 0.019,610 0.013,611 0.011,612 0.006,613 0.433,614 0.5,615 0.75,616 0.727,617 195.907,618 -0.01,619 -0.095,620 0.062,621 -0.02,622 -0.028,623 0.021,624 -0.129,625 0.129,626 -0.02,627 0.094,628 -0.045,629 0.061,630 0.039,631 -0.173,632 -0.088,633 -0.169,634 0.007,635 -0.148,636 0.01,637 -0.063,638 -0.014,639 -0.053,640 0.048,641 -0.038,642 0.012,643 0.044,644 -0.007,645 0.032,646 -0.015,647 0.013,648 0.016,649 -0.071,650 -0.079,651 -0.086,652 -0.021,653 -0.093,654 0.1,655 -0.006,656 -0.024,657 -0.013,658 -0.012,659 -0.033,660 0.026,661 -0.048,662 0.081,663 -0.019,664 0.04,665 0.029,666 1.974,667 6.298,668 0.75,669 41,670 0.991,671 1.119,672 0.207,673 0.043,674 0.655,675 3.714,676 4.06,677 4.369,678 4.654,679 4.913,680 5.024,681 5.198,682 5.361,683 5.403,684 5.472,685 7.763,686 0.612,687 486.68,688 3.714,689 5.273,690 6.142,691 7.04,692 7.928,693 8.834,694 9.731,695 10.642,696 11.544,697 12.458,698 1.4,712 1,715 12,720 6,722 18,727 1,739 2,741 72,743 19,744 3,745 40,747 76,748 31,749 18,750 6,751 12,752 1,756 5,757 6,767 3,768 2,770 4,772 19,773 12,774 2,777 1,782 1,786 1,793 36,794 4,795 1,796 5,802 1,803 1,807 1,808 0.8,809 4,811 1,828 1,829 4,832 1,857 1,859 4,864 2,868 36,875 1,876 7,878 2,880 3,883 1,893 5.6,894 1,896 1,898 2,901 18.083,902 13.2,903 8,904 4.449,907 2.242,908 1.271,909 0.941,910 7.36,911 10.509,912 3.932,913 4.483,914 5.009,915 5.514,916 6.009,917 6.109,918 6.383,919 6.631,920 6.736,921 6.879,922 1,923 61,924 13.462,926 5.851,927 0.026,929 7.602,931 26.307,933 22.602,936 2.102,937 75.667,941 411.989,942 179.87,945 89.828,948 179.87,949 501.817,951 21.766,952 16.026,953 156.398,954 30.278,955 45.229,957 411.989,959 411.989,960 179.87,961 89.828,964 353.133,965 106,966 42.683,968 16.026,969 163.844,972 411.989,973 89.828,974 179.87,977 411.989,978 44.389,979 135.481,981 89.828,982 411.989,983 89.828,984 179.87,986 0.58,987 0.352,988 0.194,989 0.108,990 28,991 12,992 0.105,993 8,994 1,995 1.074,996 4.571,997 357.243,998 0.074,999 27,1000 160.117,1005 24.858,1006 10.659,1007 5.192,1009 89.828,1010 25.072,1015 5.47,1017 42.683,1018 681.687,1019 50,1024 13.298,1028 0.026,1031 71.374,1032 80.602,1034 0.217,1035 0.534,1036 0.725,1037 0.786,1038 0.803,1039 0.808,1040 5.196,1041 1.811,1042 6.151,1043 6.235,1044 4.745,1045 5.17,1046 2.325,1047 7.02,1048 4.69,1049 6.388,1050 1.463,1051 7.748,1052 5.475,1053 4.443,1054 4.913,1055 0.931,1056 8.212,1057 4.332,1058 7.7,1059 1.427,1060 9.455,1061 3.643,1062 6.428,1063 7.269,1064 2.485,1065 11.282,1066 6.31,1067 9.046,1068 1.367,1069 11.229,1070 3.113,1071 6.976,1072 7.799,1073 1.505,1074 13.316,1075 6.789,1076 10.425,1077 1,1078 13.048,1079 3.045,1080 8.44,1081 9.653,1082 2.812,1083 15.971,1084 8.243,1085 11.825,1086 1,1087 14.898,1088 2.372,1089 9.356,1090 10.556,1091 2.008,1092 18.316,1093 9.093,1094 13.243,1095 1,1096 16.771,1097 2.36,1098 10.635,1099 12.193,1100 3.228,1101 20.866,1102 10.353,1103 3.393,1104 0.922,1105 18.66,1106 2.136,1107 11.711,1108 13.301,1109 2.509,1110 23.326,1111 11.373,1112 3.267,1113 12.881,1114 20.562,1115 2.136,1116 12.928,1117 14.829,1118 3.69,1119 25.854,1120 12.562,1121 2.86,1122 11.305,1123 22.475,1124 4.176,1125 14.074,1126 16.059,1127 3.021,1128 28.358,1129 13.66,1130 2.561,1131 9.458,1132 24.397,1133 3.61,1134 15.273,1135 17.53,1136 4.177,1137 30.887,1138 14.827,1139 2.473,1140 8.401,1141 26.325,1142 3.43,1143 16.449,1144 18.835,1145 3.544,1146 33.411,1147 15.961,1148 2.352,1149 7.008,1150 28.26,1151 3.411,1152 17.647,1153 20.277,1154 4.675,1155 35.945,1156 17.124,1157 1.936,1158 6.669,1159 30.199,1160 3.14,1161 18.837,1162 21.629,1163 4.073,1164 38.478,1165 18.276,1166 18577,1167 27915,1168 26.929,1169 47.148,1170 59.894,1171 61.374,1172 62.947,1173 59.422,1174 59.48,1175 73.522,1176 9.592,1177 175.749,1178 57.797,1179 5.546,1180 5.828,1181 7.045,1182 5.357,1183 5.393,1184 7.176,1185 2.588,1186 20.42,1187 5.284,1188 16.225,1189 1.497,1190 1.534,1191 1.574,1192 1.486,1193 1.487,1194 1.838,1195 0.24,1196 4.394,1197 1.445,1198 4.093,1199 4.131,1200 4.028,1201 3.998,1202 7.427,1203 4.001,1204 3.998,1205 4.024,1206 3.933,1207 3.908,1208 6.448,1209 3.908,1210 3.872,1211 3.903,1212 3.796,1213 3.819,1214 4.916,1215 3.809,1216 3.812,1217 3.853,1218 3.713,1219 3.709,1220 4.777,1221 3.704,1222 3.588,1223 3.619,1224 3.507,1225 3.418,1226 4.73,1227 3.433,1228 3.371,1229 3.425,1230 3.251,1231 3.188,1232 4.495,1233 3.193,1234 3.25,1235 3.315,1236 3.063,1237 2.963,1238 4.315,1239 2.973,1240 3.121,1241 3.206,1242 2.926,1243 2.941,1244 4.274,1245 2.91,1246 0.114,1247 0.096,1248 0.181,1249 0.108,1250 0.085,1251 4.546,1252 0.104,1253 3.828,1254 0.033,1255 7.243,1256 0.322,1257 4.322,1258 0.082,1259 3.393,1260 4.176,1261 1.31,1262 12.881,1263 3.284,1264 1.997,1265 1.953,1266 2.151,1267 2.154,1268 1.555,1269 2.157,1270 1.887,1271 1.872,1272 2.017,1273 1.978,1274 1.272,1275 1.984,1276 1.881,1277 1.858,1278 2.005,1279 1.964,1280 1.154,1281 1.974,1282 1.839,1283 1.8,1284 1.956,1285 1.952,1286 1.11,1287 1.965,1288 1.599,1289 1.556,1290 1.779,1291 1.779,1292 1.04,1293 1.781,1294 1.317,1295 1.255,1296 1.582,1297 1.53,1298 0.839,1299 1.548,1300 1.232,1301 1.184,1302 1.574,1303 1.521,1304 0.825,1305 1.536,1306 1.186,1307 1.107,1308 1.548,1309 1.5,1310 0.587,1311 1.517,1312 4.394,1314 5.733,1315 2.398,1316 7.279,1317 4.844,1318 8.912,1319 7.034,1320 10.591,1322 3.179,1327 11.429,1328 6.307,1330 10.829,1332 -0.919,1335 0.977,1340 44.1,1341 96.537,1342 237.399,1343 322.196,1344 349.215,1345 356.725,1346 358.725,1347 77.516,1348 8.267,1349 55.76,1350 55.76,1351 29,1352 12.973,1353 4.322,1354 3.459,1355 54.376,1356 170,1357 155,1358 0.156,1359 266.135,1360 471.44,1361 641.13,1362 45630,1364 25.123,1365 0.698,1366 0.591,1367 25.123,1368 21.282,1369 17.515,1370 0.438,1371 0.327,1372 12.906,1373 16.955,1374 12.565,1375 10.398,1376 17.515,1377 13.068,1378 15.604,1379 0.274,1380 0.188,1381 15.604,1382 10.692,1383 13.83,1384 0.177,1385 0.109,1386 13.83,1387 8.481,1388 11.608,1389 0.112,1390 0.063,1391 11.608,1392 6.521,1393 9.557,1394 0.071,1395 0.037,1396 9.557,1397 5.04,1398 0.246,1399 109.183,1400 0.193,1401 32.842,1402 0.427,1403 194,1404 471.689,1405 206.74,1406 452.409,1407 618.18,1408 426,1409 232,1410 444.254,1411 247.071,1412 456.119,1413 665.71,1414 427,1415 4.362}
{0 CHEMBL313271,1 1.625,2 14.879,3 3.661,4 13.405,5 125.831,6 7.639,7 0.417,8 4.229,9 4.329,10 3.851,11 3.743,12 5.319,13 3.711,14 4.815,15 4.981,16 4.248,17 4.181,18 5.899,19 4.126,20 5.075,21 5.256,22 4.3,23 4.361,24 6.107,25 4.254,26 5.246,27 5.488,28 4.212,29 4.387,30 6.145,31 4.244,32 5.197,33 5.45,34 4.114,35 4.286,36 6.066,37 4.15,38 5.057,39 5.274,40 4.023,41 4.236,42 6.018,43 4.082,44 4.998,45 5.236,46 3.964,47 4.132,48 5.995,49 3.976,50 4.885,51 5.096,52 3.834,53 3.962,54 5.99,55 3.865,56 0.152,57 0.87,58 13.433,59 6.348,60 10.867,61 7.719,62 0.524,63 1.443,64 28.326,65 10.823,66 57.06,67 13.309,68 0.787,69 1.801,70 39.2,71 14.813,72 67.926,73 18.607,74 0.584,75 2.006,76 49.394,77 17.571,78 71.257,79 23.173,80 0.829,81 1.836,82 48.555,83 15.999,84 78.707,85 20.937,86 0.681,87 1.69,88 41.518,89 14.645,90 76.835,91 18.472,92 0.722,93 1.591,94 42.518,95 13.89,96 75.335,97 17.772,98 0.704,99 1.332,100 36.141,101 11.031,102 92.707,103 13.703,104 46,105 52,106 0.26,107 0.572,108 0.77,109 0.819,110 0.824,111 0.83,112 3.531,113 1.003,114 -0.77,115 -0.88,116 -1,121 38.7,123 4,124 1,126 3,127 3,144 5,145 1,146 2,154 3,155 1,159 1,168 2,176 7,179 2,180 6,187 9,189 2,191 3,192 9,194 1,200 7,203 2,206 7,214 3,216 2,219 8,221 1,227 7,229 1,232 1,234 2,239 10,243 2,244 5,246 1,251 6,256 8,264 6,266 2,269 5,277 1,279 1,281 1943,282 21.997,283 21.997,284 21.997,285 21.997,286 21.997,287 19.897,288 26.463,289 12.531,290 22.668,291 17.604,292 17.604,293 17.604,294 17.604,295 17.604,296 14.183,297 31.468,298 5.773,299 18.519,300 4.33,301 2.387,302 1.151,303 0.843,304 0.811,305 0.778,306 4.221,311 1,312 1,313 1054,314 4.243,317 194.627,318 227.325,321 160.795,325 2.375,326 38.561,329 1,330 0.83,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.85,337 73,338 491,339 4.565,340 3.785,341 6.998,342 4.225,343 3.306,344 4.502,345 2.612,346 11.918,347 3.045,348 4.376,349 3.676,350 6.437,351 4.067,352 3.12,353 4.02,354 1.277,355 10.099,356 2.949,357 4.224,358 3.612,359 6.068,360 3.793,361 2.819,362 3.574,363 1.26,364 8.762,365 2.742,366 4.081,367 3.24,368 5.992,369 3.708,370 2.747,371 3.356,372 0.86,373 8.521,374 2.65,375 3.709,376 2.715,377 5.708,378 3.415,379 2.436,380 3.048,381 0.86,382 7.471,383 2.374,384 3.628,385 2.65,386 5.315,387 3.255,388 2.271,389 3.003,390 0.245,391 6.852,392 2.207,393 3.364,394 2.388,395 5.151,396 3.096,397 2.114,398 2.471,400 6.19,401 2.07,402 3.178,403 2.215,404 4.717,405 2.698,406 1.771,407 2.384,409 5.118,410 1.628,411 2.715,412 1.734,413 4.118,414 2.256,415 1.294,416 1.722,418 3.499,419 1.224,420 2.684,421 1.653,422 3.943,423 2.117,424 1.136,425 1.68,427 2.841,428 1.116,429 2.399,430 1.427,431 3.802,432 1.984,433 1.12,434 1.376,436 2.709,437 0.983,438 2.176,439 1.114,440 3.758,441 1.983,442 1,443 1.001,445 2.372,446 0.946,447 2,448 1.077,449 3.353,450 1.661,451 0.661,452 1,454 1.611,455 0.661,456 1.784,457 1.001,458 3.252,459 1.594,460 0.582,461 0.658,463 1.358,464 0.581,465 1.554,466 1,467 3.011,468 1.209,469 0.36,470 0.392,472 0.488,473 0.303,474 15.633,475 0.474,476 0.961,477 0.029,478 39,479 1.182,480 17.5,481 0.53,482 21.5,483 0.652,484 33.322,485 1.01,486 37.467,487 0.604,488 29.776,489 0.902,490 7.424,491 0.225,492 8.373,493 0.254,494 0.16,495 0.026,496 0.313,501 0.619,502 1.321,503 0.738,504 1.109,505 0.495,506 1.034,507 0.906,508 0.879,509 0.814,510 0.806,511 0.452,512 0.809,513 0.685,514 1.114,515 1.021,516 1.137,517 0.563,518 1.145,519 0.666,520 1.087,521 0.908,522 1.106,523 0.672,524 1.064,525 0.916,526 0.8,527 0.889,528 0.852,529 0.66,530 0.876,531 0.885,532 1.104,533 1.2,534 1.163,535 1.135,536 1.178,537 0.648,538 1.067,539 1.223,540 1.217,541 0.826,542 1.084,543 1.4,544 0.982,545 1.23,546 1.038,547 1.781,548 1.013,549 9,550 0.253,551 4.222,552 2.451,553 2.308,554 1.171,555 0.876,556 0.521,557 0.285,558 0.252,559 17506,560 52250,561 2.036,562 46.8,563 3,564 20,568 2,569 4,572 1.745,573 1.877,574 3.845,575 -0.721,577 1,582 100.73,583 1.625,584 3.567,585 4.803,586 5.111,587 5.143,588 5.176,589 3.294,590 4.438,591 5.016,592 4.047,593 2137.01,594 8.744,595 34032.1,600 369.16,601 1.628,602 4.954,603 0.25,604 0.009,605 0.081,606 0.048,607 0.05,608 0.028,609 0.024,610 0.015,611 0.009,612 0.009,613 0.524,614 0.33,615 0.88,616 0.915,617 179.647,618 0.102,619 -0.11,620 0.087,621 -0.034,622 0.03,623 -0.018,624 -0.012,625 0.239,626 0.117,627 0.217,628 0.166,629 0.177,630 0.123,631 -0.055,632 -0.059,633 -0.084,634 0.102,635 -0.13,636 0.029,637 -0.128,638 0.049,639 -0.102,640 0.028,641 -0.033,642 -0.051,643 0.128,644 0.084,645 0.109,646 -0.006,647 0.127,648 -0.059,649 -0.101,650 -0.161,651 -0.106,652 -0.142,653 -0.161,654 0.118,655 -0.055,656 -0.07,657 -0.112,658 0.058,659 -0.055,660 -0.229,661 -0.021,662 -0.175,663 -0.043,664 -0.23,665 -0.048,666 2.504,667 5.868,668 0.606,669 40.338,670 1.011,671 1.125,672 -0.463,673 0.214,674 0.656,675 3.611,676 3.97,677 4.22,678 4.454,679 4.663,680 4.754,681 4.836,682 4.942,683 4.898,684 4.898,685 8.736,686 0.623,687 473.62,688 3.611,689 5.176,690 6.028,691 6.919,692 7.789,693 8.681,694 9.558,695 10.45,696 11.331,697 12.223,698 3.2,709 1,712 1,714 2,715 5,718 1,719 1,720 5,722 15,727 1,735 1,739 2,741 62,743 18,744 1,745 36,747 65,748 24,749 12,750 4,751 2,752 1,756 4,757 5,767 2,768 1,770 4,772 13,773 11,774 1,777 3,779 1,782 3,786 1,790 1,792 1,793 29,794 6,796 9,797 1,802 2,803 1,807 1,808 0.75,809 6,828 2,829 2,832 1,859 3,862 1,864 3,868 33,876 7,878 2,880 1,883 1,888 1,893 9.7,896 1,898 3,899 2,901 17.583,902 12.117,903 7.236,904 3.832,907 2.849,908 1.356,909 0.938,910 7.293,911 10.845,912 3.861,913 4.472,914 5.012,915 5.573,916 6.04,917 6.416,918 6.706,919 7.039,920 6.945,921 6.853,922 0.9,923 51,924 12.257,926 5.254,927 0.026,929 7.864,931 23.435,933 19.577,936 2.364,937 78,941 341.362,942 156.043,943 5.67,945 107.399,947 31.278,948 124.765,949 448.761,950 5.67,951 35.833,952 16.455,953 47.381,954 30.278,955 49.587,956 7.553,957 372.64,958 50.747,959 341.362,960 130.435,961 107.399,962 31.278,964 294.278,965 103.736,966 50.747,968 21.475,969 103.29,970 5.67,971 31.278,972 341.362,973 113.069,974 156.043,977 341.362,978 78.499,979 83.214,981 107.399,982 341.362,983 113.069,984 156.043,986 0.591,987 0.347,988 0.176,989 0.097,990 25,991 12,992 0.138,993 9,994 1,995 1.1,996 4.443,997 295.188,998 0.1,999 20,1000 160.465,1001 1,1005 24.022,1006 10.019,1007 5.519,1008 2.004,1009 107.399,1010 8.891,1013 5.348,1014 1.499,1015 2.544,1018 610.474,1019 46.5,1021 -0.504,1024 34.54,1028 0.18,1031 62.672,1032 69.778,1034 0.273,1035 0.599,1036 0.807,1037 0.858,1038 0.864,1039 0.869,1040 5.128,1041 1.771,1042 6.057,1043 6.19,1044 4.654,1045 5.159,1046 3.039,1047 6.903,1048 4.561,1049 6.357,1050 1.294,1051 7.648,1052 5.118,1053 4.443,1054 5.165,1055 2.496,1056 8.042,1057 4.284,1058 7.694,1059 1.136,1060 9.34,1061 3.499,1062 6.337,1063 7.391,1064 4.305,1065 11.027,1066 6.145,1067 9.063,1068 1.12,1069 11.09,1070 2.841,1071 6.909,1072 8.193,1073 4.539,1074 12.957,1075 6.63,1076 10.461,1077 1,1078 12.877,1079 2.709,1080 8.315,1081 9.937,1082 5.985,1083 15.527,1084 8.002,1085 11.877,1086 0.661,1087 14.69,1088 2.372,1089 9.213,1090 11.089,1091 6.563,1092 17.767,1093 8.805,1094 13.307,1095 0.582,1096 16.522,1097 1.611,1098 10.45,1099 12.661,1100 7.803,1101 20.23,1102 9.997,1103 3.306,1104 0.36,1105 18.368,1106 1.358,1107 11.492,1108 13.981,1109 8.55,1110 22.596,1111 10.945,1112 3.12,1113 11.918,1114 20.226,1115 0.488,1116 12.672,1117 15.49,1118 9.672,1119 25.041,1120 12.067,1121 2.819,1122 10.099,1123 22.094,1124 4.502,1125 13.779,1126 16.892,1127 10.509,1128 27.461,1129 13.084,1130 2.747,1131 8.762,1132 23.971,1133 4.02,1134 14.943,1135 18.379,1136 11.564,1137 29.909,1138 14.179,1139 2.436,1140 8.521,1141 25.854,1142 3.574,1143 16.081,1144 19.823,1145 12.452,1146 32.353,1147 15.23,1148 2.271,1149 7.471,1150 27.744,1151 3.356,1152 17.243,1153 21.307,1154 13.468,1155 34.809,1156 16.317,1157 2.114,1158 6.852,1159 29.64,1160 3.048,1161 18.398,1162 22.773,1163 14.386,1164 37.266,1165 17.386,1166 16732,1167 29121,1168 23.463,1169 40.665,1170 54.514,1171 56.631,1172 56.576,1173 53.911,1174 53.954,1175 68.995,1176 14.23,1177 160.531,1178 51.374,1179 5.565,1180 5.785,1181 6.54,1182 5.342,1183 5.306,1184 7.502,1185 4.612,1186 18.672,1187 5.045,1188 19.528,1189 1.514,1190 1.573,1191 1.572,1192 1.498,1193 1.499,1194 1.917,1195 0.395,1196 4.459,1197 1.427,1198 4.104,1199 4.118,1200 4.34,1201 4.111,1202 7.815,1203 4.062,1204 4.035,1205 4.057,1206 3.996,1207 3.855,1208 7.427,1209 3.872,1210 3.898,1211 3.934,1212 3.808,1213 3.713,1214 6.999,1215 3.729,1216 3.652,1217 3.691,1218 3.631,1219 3.492,1220 5.005,1221 3.498,1222 3.496,1223 3.522,1224 3.472,1225 3.309,1226 4.964,1227 3.305,1228 3.387,1229 3.416,1230 3.347,1231 3.074,1232 4.528,1233 3.102,1234 3.249,1235 3.315,1236 3.118,1237 2.967,1238 4.496,1239 2.986,1240 3.24,1241 3.301,1242 3.074,1243 2.941,1244 4.367,1245 2.97,1246 0.127,1247 0.105,1248 0.194,1249 0.117,1250 0.092,1251 4.565,1252 0.125,1253 3.785,1254 0.073,1255 6.998,1256 0.331,1257 4.225,1258 0.085,1259 3.306,1260 4.502,1261 2.612,1262 11.918,1263 3.045,1264 1.935,1265 1.903,1266 2.131,1267 2.127,1268 1.54,1269 2.132,1270 1.908,1271 1.876,1272 1.964,1273 1.987,1274 1.186,1275 1.983,1276 1.679,1277 1.651,1278 1.858,1279 1.956,1280 1.14,1281 1.857,1282 1.56,1283 1.533,1284 1.686,1285 1.84,1286 0.916,1287 1.825,1288 1.493,1289 1.476,1290 1.614,1291 1.651,1292 0.825,1293 1.663,1294 1.312,1295 1.27,1296 1.576,1297 1.532,1298 0.721,1299 1.546,1300 1.224,1301 1.176,1302 1.565,1303 1.516,1304 0.628,1305 1.533,1306 1.19,1307 1.114,1308 1.513,1309 1.475,1310 0.58,1311 1.502,1312 4.29,1314 5.638,1315 3.045,1316 7.163,1317 5.352,1318 8.767,1319 7.413,1320 10.413,1322 5.375,1328 6.076,1330 10.731,1332 0.514,1335 0.801,1340 38.63,1341 100.73,1342 221.147,1343 297.776,1344 316.896,1345 318.896,1346 320.896,1347 74.4,1348 7.996,1349 94.49,1350 122.73,1351 22,1352 12.752,1353 4.248,1354 3.524,1355 54.889,1356 177,1357 156,1358 0.151,1359 238.155,1360 415.07,1361 572.857,1362 37464,1364 23.587,1365 0.715,1366 0.607,1367 23.941,1368 20.035,1369 15.797,1370 0.439,1371 0.334,1372 11.07,1373 14.473,1374 10.696,1375 8.874,1376 16.205,1377 12.036,1378 14.756,1379 0.284,1380 0.199,1381 15.398,1382 10.329,1383 12.257,1384 0.183,1385 0.119,1386 13.095,1387 7.957,1388 9.667,1389 0.114,1390 0.069,1391 10.539,1392 5.823,1393 7.781,1394 0.074,1395 0.042,1396 8.592,1397 4.425,1398 0.247,1399 105.168,1400 0.206,1401 31.425,1402 0.386,1403 176,1404 565.252,1405 222.421,1406 544.729,1407 725.27,1408 506,1409 207,1410 511.08,1411 253.267,1412 523.591,1413 759.63,1414 487,1415 7.495}
{0 CHEMBL313582,1 1.26,2 13.31,3 4.098,4 16.79,5 117.748,6 6.232,7 0.375,8 4.199,9 4.329,10 3.625,11 3.757,12 5.09,13 3.692,14 4.818,15 5.015,16 3.97,17 4.199,18 5.617,19 4.102,20 5.188,21 5.422,22 4.075,23 4.435,24 5.967,25 4.29,26 5.32,27 5.604,28 3.888,29 4.412,30 6.021,31 4.213,32 5.181,33 5.473,34 3.824,35 4.3,36 5.883,37 4.108,38 5.07,39 5.34,40 3.739,41 4.198,42 5.893,43 4.015,44 4.974,45 5.246,46 3.606,47 4.089,48 5.75,49 3.901,50 4.87,51 5.152,52 3.479,53 3.975,54 5.596,55 3.782,56 0.066,57 0.848,58 15.319,59 6.604,60 8.016,61 9.194,62 0.208,63 1.475,64 28.617,65 11.203,66 16.024,67 15.957,68 0.287,69 1.992,70 40.971,71 16.458,72 34.582,73 23.229,74 0.38,75 2.134,76 46.341,77 18.077,78 44.234,79 25.851,80 0.265,81 1.884,82 39.917,83 15.987,84 32.897,85 23.038,86 0.391,87 1.671,88 36.283,89 14.243,90 48.126,91 20.22,92 0.322,93 1.5,94 32.894,95 12.984,96 35.728,97 18.329,98 0.229,99 1.352,100 29.395,101 11.663,102 31.455,103 16.585,104 5,105 44,106 0.204,107 0.484,108 0.728,109 0.839,110 0.846,111 0.846,112 3.407,113 1.073,114 -2.01,115 -2.06,116 -2.06,121 41.3,123 7,124 1,126 1,127 4,144 8,145 3,146 1,159 1,176 17,180 5,187 18,189 3,192 7,200 14,203 3,206 4,214 12,216 3,219 3,227 15,229 2,231 1,232 2,239 15,244 2,246 1,251 14,253 1,256 1,264 9,266 2,269 3,277 7,279 2,281 1337,282 19.775,283 19.775,284 19.775,285 19.775,286 19.775,287 18.208,288 21.822,289 11.843,290 20.012,291 15.81,292 15.81,293 15.81,294 15.81,295 15.81,296 13.412,297 22.67,298 5.669,299 16.195,300 4.717,301 2.981,302 1.472,303 0.786,304 0.742,305 0.742,306 4.108,311 1,312 1,313 846,314 3.391,318 283.038,319 102.899,323 155.454,325 2.114,326 18.718,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 60.5,338 386,339 4.332,340 3.679,341 6.998,342 4.22,343 3.303,344 3.973,345 1.277,346 11.915,347 3.035,348 4.324,349 3.607,350 6.248,351 3.964,352 2.971,353 3.531,354 1.26,355 9.413,356 2.957,357 3.894,358 3.141,359 5.898,360 3.605,361 2.605,362 3.237,363 0.86,364 8.15,365 2.591,366 3.806,367 2.605,368 5.348,369 3.449,370 2.45,371 3.159,372 0.245,373 6.964,374 2.445,375 3.383,376 2.383,377 5.249,378 3.308,379 2.318,380 2.403,382 6.673,383 2.288,384 2.948,385 2.194,386 4.469,387 2.671,388 1.685,389 2.083,391 4.51,392 1.664,393 2.89,394 1.912,395 4.171,396 2.598,397 1.648,398 2.027,400 3.811,401 1.549,402 2.863,403 1.682,404 3.802,405 2.442,406 1.444,407 1.923,409 3.254,410 1.44,411 2.61,412 1.534,413 3.72,414 2.4,415 1.39,416 1.611,418 3.072,419 1.399,420 2.5,421 1.115,422 3.705,423 2,424 1,425 1.5,427 2.372,428 1,429 2.072,430 1.077,431 3.331,432 1.984,433 1,434 1.015,436 2.136,437 0.983,438 2,439 1.014,440 3.263,441 1.833,442 0.872,443 1,445 1.967,446 0.831,447 1.791,448 1,449 3.247,450 1.628,451 0.608,452 0.677,454 1.418,455 0.616,456 1.216,457 0.394,458 3.019,459 1.045,460 0.062,461 0.067,463 0.158,464 0.06,465 1.079,466 0.166,467 2.513,468 0.818,469 -0.146,470 -0.162,472 -0.342,473 -0.139,474 14.067,475 0.485,476 0.646,477 0.022,478 31.75,479 1.095,480 14,481 0.483,482 17.75,483 0.612,484 29.847,485 1.029,486 32.433,487 0.515,488 21.201,489 0.731,490 5.672,491 0.196,492 8.439,493 0.291,494 0.059,495 0.028,496 0.213,501 0.759,502 1.337,503 0.959,504 1.189,505 0.56,506 1.103,507 1.143,508 1.069,509 1.065,510 1.029,511 0.604,512 1.025,513 1.054,514 1.145,515 1.091,516 1.138,517 0.87,518 1.119,519 1.078,520 0.987,521 1.032,522 0.988,523 1.051,524 1.005,525 0.672,526 0.947,527 0.887,528 0.952,529 0.929,530 0.937,531 0.992,532 1.001,533 1.038,534 1.026,535 1.585,536 1.035,537 1.124,538 0.992,539 1.05,540 1.016,541 1.708,542 1.031,543 1.013,544 0.99,545 0.986,546 0.987,547 1.293,548 0.988,549 6,550 0.139,551 3.111,552 1.438,553 1.548,554 0.816,555 0.449,556 0.339,557 0.224,558 0.153,559 12733,560 23536,561 2.124,562 54,563 7,564 19,568 2,569 6,572 1.712,573 2.035,574 3.697,575 -0.888,577 1,582 79.383,583 1.26,584 2.996,585 4.505,586 5.191,587 5.235,588 5.235,589 3.142,590 4.349,591 4.831,592 3.875,593 1573.05,594 8.372,595 22470.7,597 1,600 376.569,601 1.274,602 4.804,603 0.188,604 0.006,605 0.071,606 0.031,607 0.043,608 0.023,609 0.014,610 0.013,611 0.009,612 0.007,613 0.405,614 0.67,615 1,616 0.434,617 150.869,618 0.046,619 -0.123,620 0.074,621 -0.036,622 0.027,623 0.011,624 -0.084,625 0.076,626 -0.031,627 0.018,628 0.033,629 0.005,630 -0.045,631 -0.108,632 -0.09,633 -0.116,634 0.016,635 -0.108,636 -0.07,637 -0.031,638 -0.054,639 -0.024,640 -0.043,641 -0.037,642 0.037,643 0.016,644 0.066,645 0.019,646 0.002,647 0.043,648 0.082,649 -0.032,650 -0.05,651 -0.048,652 -0.026,653 -0.058,655 -0.038,656 -0.061,657 -0.04,658 -0.144,659 -0.056,660 -0.036,661 -0.043,662 -0.012,663 -0.015,664 -0.067,665 -0.014,666 1.371,667 5.783,668 0.793,669 31.218,670 0.982,671 1.123,672 0.784,673 0.615,674 0.643,675 3.497,676 3.807,677 4.025,678 4.234,679 4.489,680 4.511,681 4.522,682 4.615,683 4.663,684 4.727,685 7.81,686 0.59,687 392.61,688 3.497,689 5.03,690 5.861,691 6.725,692 7.571,693 8.438,694 9.29,695 10.159,696 11.014,697 11.884,698 1.6,712 1,715 8,720 4,722 12,727 1,739 1,741 63,743 13,744 2,745 32,747 66,748 26,749 12,750 4,751 8,752 1,756 4,757 5,767 5,768 1,770 7,772 13,773 13,774 1,777 1,782 1,786 1,790 1,793 34,794 2,796 3,802 1,803 1,807 1,808 0.75,809 2,829 3,830 1,834 1,859 3,864 1,868 29,876 11,878 1,880 1,883 1,893 3.2,896 1,898 1,901 14.25,902 11.333,903 6.347,904 4.347,907 1.983,908 1.26,909 0.956,910 6.472,911 9.618,912 3.689,913 4.19,914 4.644,915 5.094,916 5.581,917 5.627,918 5.792,919 5.875,920 5.952,921 6.104,922 0.889,923 46,924 10.842,926 4.588,927 0.026,929 7.437,931 21.813,933 18.726,936 1.937,937 56.167,940 1,941 400.217,942 132.791,945 36.145,948 132.791,949 436.362,951 8.396,952 28.651,953 75.81,954 30.278,955 25.8,957 400.217,959 400.217,960 132.791,961 36.145,964 329.591,965 106.771,968 28.651,969 104.14,972 400.217,973 36.145,974 132.791,977 400.217,978 48.585,979 84.206,981 36.145,982 400.217,983 36.145,984 132.791,986 0.578,987 0.328,988 0.169,989 0.099,990 21,991 8,992 0.091,993 6,994 1,995 1.087,996 4.223,997 245.376,998 0.087,999 23,1000 132.881,1005 20.317,1006 9.237,1007 5.349,1009 36.145,1010 16.867,1015 4.479,1018 569.153,1019 39,1024 12.783,1028 0.296,1031 61.836,1032 70.768,1034 0.211,1035 0.501,1036 0.754,1037 0.869,1038 0.876,1039 0.876,1040 4.934,1041 1.444,1042 5.849,1043 3.811,1044 4.489,1045 4.875,1046 2.105,1047 6.645,1048 4.443,1049 6.101,1050 1.39,1051 7.401,1052 3.254,1053 4.111,1054 4.575,1055 0.931,1056 7.769,1057 3.998,1058 7.393,1059 1,1060 9.064,1061 3.072,1062 6.116,1063 6.918,1064 2.326,1065 10.743,1066 6.001,1067 8.717,1068 1,1069 10.798,1070 2.372,1071 6.581,1072 7.409,1073 1.381,1074 12.719,1075 6.376,1076 10.074,1077 0.872,1078 12.579,1079 2.136,1080 8.055,1081 9.256,1082 2.683,1083 15.286,1084 7.839,1085 11.452,1086 0.608,1087 14.393,1088 1.967,1089 8.901,1090 10.115,1091 1.783,1092 17.572,1093 8.587,1094 12.848,1095 0.062,1096 16.232,1097 1.418,1098 10.173,1099 11.743,1100 3.1,1101 20.044,1102 9.83,1103 3.303,1104 -0.146,1105 18.088,1106 0.158,1107 11.194,1108 12.8,1109 2.192,1110 22.443,1111 10.755,1112 2.971,1113 11.915,1114 19.958,1115 -0.342,1116 12.392,1117 14.314,1118 3.547,1119 24.902,1120 11.905,1121 2.605,1122 9.413,1123 21.839,1124 3.973,1125 13.495,1126 15.488,1127 2.615,1128 27.343,1129 12.915,1130 2.45,1131 8.15,1132 23.729,1133 3.531,1134 14.67,1135 16.938,1136 4.009,1137 29.805,1138 14.027,1139 2.318,1140 6.964,1141 25.627,1142 3.237,1143 15.811,1144 18.184,1145 3.05,1146 32.265,1147 15.079,1148 1.685,1149 6.673,1150 27.531,1151 3.159,1152 16.982,1153 19.599,1154 4.481,1155 34.732,1156 16.177,1157 1.648,1158 4.51,1159 29.44,1160 2.403,1161 18.142,1162 20.891,1163 3.495,1164 37.199,1165 17.25,1166 11871,1167 16253,1168 21.841,1169 40.478,1170 47.141,1171 47.886,1172 47.939,1173 46.819,1174 46.712,1175 56.413,1176 7.285,1177 131.624,1178 45.72,1179 5.332,1180 5.679,1181 6.8,1182 5.255,1183 5.303,1184 6.973,1185 2.555,1186 18.337,1187 5.035,1188 9.72,1189 1.473,1190 1.496,1191 1.498,1192 1.463,1193 1.46,1194 1.763,1195 0.228,1196 4.113,1197 1.429,1198 4.042,1199 4.092,1200 3.961,1201 3.942,1202 7.427,1203 3.942,1204 3.966,1205 3.996,1206 3.894,1207 3.875,1208 4.825,1209 3.874,1210 3.837,1211 3.879,1212 3.735,1213 3.743,1214 4.755,1215 3.734,1216 3.653,1217 3.703,1218 3.534,1219 3.507,1220 4.369,1221 3.503,1222 3.512,1223 3.58,1224 3.359,1225 3.361,1226 4.286,1227 3.354,1228 3.28,1229 3.337,1230 3.147,1231 3.112,1232 3.968,1233 3.111,1234 3.172,1235 3.236,1236 2.999,1237 2.983,1238 3.924,1239 2.975,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.674,1245 2.91,1246 0.135,1247 0.115,1248 0.219,1249 0.132,1250 0.103,1251 4.332,1252 0.124,1253 3.679,1254 0.04,1255 6.998,1256 0.372,1257 4.22,1258 0.095,1259 3.303,1260 3.973,1261 1.277,1262 11.915,1263 3.035,1264 1.977,1265 1.936,1266 2.147,1267 2.141,1268 1.543,1269 2.147,1270 1.933,1271 1.91,1272 2.044,1273 2.021,1274 1.316,1275 2.027,1276 1.845,1277 1.802,1278 2.006,1279 1.948,1280 1.227,1281 1.97,1282 1.65,1283 1.592,1284 1.899,1285 1.834,1286 1.119,1287 1.86,1288 1.554,1289 1.495,1290 1.79,1291 1.755,1292 1.027,1293 1.77,1294 1.307,1295 1.253,1296 1.578,1297 1.524,1298 0.825,1299 1.54,1300 1.153,1301 1.065,1302 1.513,1303 1.376,1304 0.807,1305 1.429,1306 1.136,1307 1.064,1308 1.454,1309 1.35,1310 0.677,1311 1.389,1312 4.174,1314 5.485,1316 6.984,1317 2.708,1318 8.566,1319 5.094,1320 10.191,1322 2.381,1328 11.764,1330 5.787,1332 0.685,1335 1.124,1340 37.143,1341 79.383,1342 188.748,1343 283.84,1344 327.059,1345 329.814,1346 329.814,1347 50.581,1348 7.636,1349 26.3,1350 26.3,1351 25,1352 12.43,1353 3.807,1354 3,1355 45.116,1356 139,1357 123,1358 0.157,1359 226.356,1360 398.54,1361 544.07,1362 24952,1364 20.106,1365 0.693,1366 0.613,1367 20.106,1368 17.791,1369 14.112,1370 0.441,1371 0.358,1372 11.342,1373 13.778,1374 11.067,1375 9.177,1376 14.112,1377 11.442,1378 12.748,1379 0.29,1380 0.216,1381 12.748,1382 9.506,1383 10.484,1384 0.191,1385 0.128,1386 10.484,1387 7.046,1388 8.293,1389 0.122,1390 0.075,1391 8.293,1392 5.097,1393 7.076,1394 0.08,1395 0.046,1396 7.076,1397 4.053,1398 0.255,1399 86.937,1400 0.214,1401 28.248,1402 0.405,1403 152,1404 319.804,1405 160.089,1406 311.622,1407 429.78,1408 294,1409 175,1410 314.063,1411 184.478,1412 320.757,1413 465.31,1414 303,1415 6.859}
{0 CHEMBL313778,1 1.372,2 12.367,3 2.181,4 4.755,5 116.351,6 6.622,7 0.364,8 4.205,9 4.322,10 3.673,11 3.718,12 5.202,13 3.681,14 4.809,15 4.992,16 4.05,17 4.169,18 5.692,19 4.11,20 5.126,21 5.323,22 4.185,23 4.401,24 6.046,25 4.297,26 5.337,27 5.589,28 4.133,29 4.432,30 6.265,31 4.292,32 5.299,33 5.559,34 4.057,35 4.375,36 6.167,37 4.23,38 5.202,39 5.451,40 3.956,41 4.318,42 6.098,43 4.163,44 5.158,45 5.429,46 3.768,47 4.181,48 6.047,49 4.003,50 4.932,51 5.201,52 3.68,53 3.987,54 5.787,55 3.84,56 0.045,57 0.834,58 14.697,59 6.354,60 12.248,61 8.475,62 0.274,63 1.423,64 28.087,65 10.559,66 25.839,67 14.51,68 0.347,69 1.874,70 38.482,71 15.176,72 39.232,73 20.898,74 0.56,75 2.12,76 48.801,77 17.662,78 91.022,79 24.885,80 0.665,81 2.011,82 47.258,83 16.814,84 75.656,85 23.763,86 0.482,87 1.874,88 42.331,89 15.73,90 66.332,91 22.19,92 0.719,93 1.714,94 41.285,95 14.451,96 85.719,97 20.67,98 0.291,99 1.378,100 32.452,101 11.772,102 47.414,103 16.676,104 30,105 48,106 0.222,107 0.543,108 0.765,109 0.811,110 0.823,111 0.828,112 3.44,113 0.995,114 -0.48,115 -0.61,116 -0.75,121 40.3,123 3,124 2,126 3,127 3,129 1,144 7,145 3,146 2,159 1,176 13,180 4,185 2,187 14,189 3,191 1,192 7,197 3,200 10,203 3,206 5,209 1,211 2,214 6,216 2,218 1,219 5,224 2,226 1,227 11,229 2,231 1,239 10,241 1,244 2,246 1,247 2,249 1,251 5,253 2,256 4,261 2,264 4,266 2,269 1,274 2,277 6,281 1464,282 20.24,283 20.24,284 20.24,285 20.24,286 20.24,287 18.697,288 25.464,289 11.575,290 20.723,291 16.111,292 16.111,293 16.111,294 16.111,295 16.111,296 13.633,297 29.727,298 5.3,299 16.715,300 4.582,301 2.602,302 1.237,303 0.952,304 0.875,305 0.843,306 4.132,311 1,312 1,313 801,314 3.606,317 70.003,318 299.04,321 133.436,325 1.991,326 31.629,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 64.5,338 371,339 4.545,340 3.827,341 7.001,342 4.287,343 3.322,344 4.176,345 1.277,346 11.922,347 3.283,348 4.329,349 3.679,350 6.844,351 4.209,352 3.255,353 3.532,354 1.26,355 11.301,356 3.037,357 4.072,358 3.191,359 6.298,360 3.815,361 2.856,362 3.411,363 0.86,364 9.454,365 2.737,366 3.816,367 2.885,368 5.997,369 3.527,370 2.557,371 3.165,372 0.86,373 8.397,374 2.472,375 3.684,376 2.582,377 5.359,378 3.389,379 2.4,380 2.799,381 0.245,382 6.801,383 2.361,384 3.263,385 2.552,386 5.283,387 2.935,388 1.936,389 2.455,391 6.244,392 1.926,393 3.014,394 2.197,395 4.937,396 2.787,397 1.81,398 2.109,400 5.475,401 1.768,402 2.871,403 1.898,404 4.322,405 2.438,406 1.442,407 2.018,409 3.641,410 1.436,411 2.594,412 1.533,413 3.871,414 2.318,415 1.374,416 1.558,418 3.076,419 1.277,420 2.5,421 1.375,422 3.802,423 2,424 1,425 1.5,427 2.372,428 1,429 2.048,430 1.08,431 3.668,432 1.984,433 1,434 1,436 2.354,437 0.983,438 2,439 1.077,440 3.281,441 1.858,442 0.921,443 0.991,445 2.136,446 0.852,447 1.684,448 1,449 3.247,450 1.419,451 0.47,452 0.551,454 0.946,455 0.439,456 1.468,457 0.99,458 3.087,459 1.212,460 0.362,461 0.39,463 0.491,464 0.305,465 1.199,466 0.487,467 2.783,468 1.015,469 0.055,470 0.06,472 0.146,473 0.053,474 14.233,475 0.474,476 0.821,477 0.027,478 33.5,479 1.117,480 14.5,481 0.483,482 19,483 0.633,484 31.256,485 1.042,486 34.067,487 0.549,488 25.757,489 0.859,490 6.498,491 0.217,492 7.939,493 0.265,494 0.152,495 0.028,496 0.316,501 0.837,502 1.367,503 0.896,504 1.209,505 0.727,506 1.081,507 1.153,508 0.93,509 0.973,510 0.878,511 0.736,512 0.881,513 0.84,514 1.244,515 1.063,516 1.235,517 0.916,518 1.187,519 0.961,520 1.051,521 0.988,522 1.046,523 1.134,524 1.024,525 0.994,526 0.917,527 0.968,528 0.927,529 1.046,530 0.942,531 0.871,532 1.091,533 1.05,534 1.108,535 1.104,536 1.105,537 0.91,538 0.949,539 1.033,540 0.967,541 1.343,542 1.013,543 0.911,544 1.011,545 0.885,546 0.999,547 0.95,548 0.95,549 7,550 0.237,551 4,552 2.889,553 2.254,554 1.296,555 0.838,556 0.517,557 0.376,558 0.176,559 12122,560 26925,561 2.059,562 51.6,563 2,564 23,567 1,568 1,569 5,572 1.726,573 1.905,574 3.589,575 -0.415,577 1,582 85.064,583 1.372,584 3.352,585 4.718,586 5.002,587 5.079,588 5.111,589 3.086,590 4.415,591 4.875,592 3.752,593 1632.04,594 8.493,595 22651.2,597 1,600 369.16,601 1.615,602 4.82,603 0.212,604 0.01,605 0.083,606 0.057,607 0.049,608 0.03,609 0.022,610 0.017,611 0.013,612 0.007,613 0.5,614 0.5,615 1,616 0.855,617 154.775,618 -0.016,619 -0.14,620 0.062,621 -0.046,622 -0.037,623 0.007,624 -0.139,625 0.221,626 0.021,627 0.17,628 -0.032,629 0.132,630 0.032,631 -0.165,632 -0.098,633 -0.179,634 0.006,635 -0.159,636 0.017,637 -0.078,638 -0.005,639 -0.067,640 0.054,641 -0.043,642 0.023,643 0.041,644 0.022,645 0.037,646 -0.007,647 0.03,648 0.016,649 -0.108,650 -0.081,651 -0.116,652 -0.014,653 -0.113,654 0.095,655 -0.011,656 -0.046,657 -0.018,658 -0.038,659 -0.049,660 0.008,661 -0.074,662 0.09,663 -0.032,664 0.037,665 0.03,666 1.938,667 6.057,668 0.7,669 32.173,670 0.994,671 1.125,672 -0.748,673 0.559,674 0.639,675 3.526,676 3.892,677 4.19,678 4.454,679 4.7,680 4.804,681 4.934,682 5.069,683 5.075,684 5.112,685 7.178,686 0.598,687 410.58,688 3.526,689 5.094,690 5.964,691 6.866,692 7.754,693 8.662,694 9.558,695 10.469,696 11.369,697 12.283,698 1.6,712 1,715 7,720 5,722 12,727 1,739 2,741 62,743 13,744 2,745 33,747 65,748 25,749 12,750 5,751 7,752 1,756 4,757 5,767 3,768 2,770 4,772 13,773 12,774 2,777 1,782 1,786 1,790 1,793 32,794 4,795 1,796 5,802 1,803 1,807 1,808 0.75,809 4,811 1,828 1,829 3,832 1,857 1,859 3,864 3,868 30,875 1,876 6,878 2,880 3,883 1,893 6.5,894 1,896 1,898 2,901 15.75,902 11.783,903 6.625,904 3.838,907 2.066,908 1.264,909 0.915,910 6.08,911 9.888,912 3.714,913 4.263,914 4.779,915 5.27,916 5.759,917 5.907,918 6.143,919 6.325,920 6.339,921 6.36,922 1,923 51,924 11.233,926 4.88,927 0.026,929 7.65,931 21.887,933 18.784,936 2.15,937 64.5,941 364.904,942 135.594,945 89.828,948 135.594,949 454.732,951 30.162,952 13.921,953 109.017,954 30.278,955 42.043,957 364.904,959 364.904,960 135.594,961 89.828,964 306.049,965 106,966 42.683,968 13.921,969 121.673,972 364.904,973 89.828,974 135.594,977 364.904,978 39.098,979 96.496,981 89.828,982 364.904,983 89.828,984 135.594,986 0.588,987 0.358,988 0.19,989 0.105,990 24,991 11,992 0.092,993 6,994 1,995 1.095,996 4.075,997 272.162,998 0.095,999 21,1000 139.207,1005 21.203,1006 8.602,1007 4.244,1009 89.828,1010 14.235,1015 4.153,1017 42.683,1018 590.326,1019 40,1024 13.057,1028 0.033,1031 61.607,1032 69.772,1034 0.23,1035 0.563,1036 0.792,1037 0.84,1038 0.853,1039 0.858,1040 4.997,1041 1.442,1042 5.994,1043 5.475,1044 4.575,1045 4.949,1046 2.271,1047 6.876,1048 4.512,1049 6.199,1050 1.374,1051 7.606,1052 3.641,1053 4.369,1054 4.808,1055 0.931,1056 8.082,1057 4.25,1058 7.524,1059 1,1060 9.324,1061 3.076,1062 6.286,1063 7.052,1064 2.428,1065 11.12,1066 6.158,1067 8.88,1068 1,1069 11.104,1070 2.372,1071 6.889,1072 7.68,1073 1.381,1074 13.103,1075 6.696,1076 10.268,1077 0.921,1078 12.923,1079 2.354,1080 8.316,1081 9.457,1082 2.737,1083 15.724,1084 8.114,1085 11.676,1086 0.47,1087 14.767,1088 2.136,1089 9.253,1090 10.437,1091 1.783,1092 17.992,1093 8.995,1094 13.099,1095 0.362,1096 16.629,1097 0.946,1098 10.511,1099 12.025,1100 3.126,1101 20.493,1102 10.237,1103 3.322,1104 0.055,1105 18.504,1106 0.491,1107 11.589,1108 13.192,1109 2.192,1110 22.872,1111 11.271,1112 3.255,1113 11.922,1114 20.39,1115 0.146,1116 12.791,1117 14.691,1118 3.559,1119 25.337,1120 12.452,1121 2.856,1122 11.301,1123 22.283,1124 4.176,1125 13.928,1126 15.964,1127 2.615,1128 27.761,1129 13.554,1130 2.557,1131 9.454,1132 24.183,1133 3.532,1134 15.113,1135 17.421,1136 4.015,1137 30.218,1138 14.717,1139 2.4,1140 8.397,1141 26.088,1142 3.411,1143 16.276,1144 18.756,1145 3.05,1146 32.661,1147 15.852,1148 1.936,1149 6.801,1150 27.997,1151 3.165,1152 17.458,1153 20.193,1154 4.483,1155 35.118,1156 17.012,1157 1.81,1158 6.244,1159 29.91,1160 2.799,1161 18.633,1162 21.565,1163 3.495,1164 37.57,1165 18.164,1166 11579,1167 17391,1168 21.671,1169 39.625,1170 49.836,1171 51.308,1172 52.539,1173 49.478,1174 49.523,1175 59.432,1176 9.005,1177 149.513,1178 47.856,1179 5.545,1180 5.827,1181 6.803,1182 5.323,1183 5.322,1184 7.176,1185 2.555,1186 19.46,1187 5.283,1188 15.904,1189 1.51,1190 1.555,1191 1.592,1192 1.499,1193 1.501,1194 1.801,1195 0.273,1196 4.531,1197 1.45,1198 4.078,1199 4.112,1200 4.019,1201 3.989,1202 7.427,1203 3.992,1204 3.977,1205 4.012,1206 3.899,1207 3.878,1208 6.448,1209 3.876,1210 3.83,1211 3.871,1212 3.735,1213 3.727,1214 4.915,1215 3.723,1216 3.601,1217 3.634,1218 3.517,1219 3.426,1220 4.756,1221 3.441,1222 3.382,1223 3.438,1224 3.252,1225 3.186,1226 4.495,1227 3.192,1228 3.25,1229 3.315,1230 3.063,1231 2.963,1232 4.355,1233 2.973,1234 3.12,1235 3.206,1236 2.921,1237 2.941,1238 4.288,1239 2.91,1240 3.111,1241 3.199,1242 2.866,1243 2.898,1244 3.858,1245 2.892,1246 0.138,1247 0.116,1248 0.212,1249 0.13,1250 0.101,1251 4.545,1252 0.127,1253 3.827,1254 0.039,1255 7.001,1256 0.361,1257 4.287,1258 0.099,1259 3.322,1260 4.176,1261 1.277,1262 11.922,1263 3.283,1264 1.971,1265 1.925,1266 2.139,1267 2.139,1268 1.538,1269 2.144,1270 1.881,1271 1.872,1272 2.009,1273 1.978,1274 1.246,1275 1.977,1276 1.853,1277 1.814,1278 1.956,1279 1.957,1280 1.147,1281 1.967,1282 1.615,1283 1.57,1284 1.802,1285 1.803,1286 1.052,1287 1.804,1288 1.331,1289 1.263,1290 1.616,1291 1.545,1292 0.86,1293 1.571,1294 1.232,1295 1.184,1296 1.574,1297 1.521,1298 0.825,1299 1.537,1300 1.186,1301 1.107,1302 1.56,1303 1.513,1304 0.586,1305 1.527,1306 1.153,1307 1.064,1308 1.513,1309 1.376,1310 0.574,1311 1.429,1312 4.205,1314 5.557,1315 2.398,1316 7.111,1317 4.844,1318 8.749,1319 7.034,1320 10.432,1322 5.466,1327 11.139,1328 5.506,1330 10.731,1332 -0.806,1335 0.987,1340 37.046,1341 85.064,1342 207.818,1343 292.489,1344 310.141,1345 314.896,1346 316.896,1347 67.711,1348 7.822,1349 55.76,1350 55.76,1351 23,1352 12.798,1353 3.807,1354 3,1355 47.238,1356 129,1357 132,1358 0.18,1359 224.757,1360 398.82,1361 540.166,1362 27212,1364 21.303,1365 0.71,1366 0.606,1367 21.303,1368 18.188,1369 14.437,1370 0.437,1371 0.332,1372 10.783,1373 13.87,1374 10.452,1375 8.673,1376 14.437,1377 10.95,1378 13.206,1379 0.275,1380 0.195,1381 13.206,1382 9.34,1383 11.589,1384 0.178,1385 0.112,1386 11.589,1387 7.258,1388 9.486,1389 0.112,1390 0.063,1391 9.486,1392 5.397,1393 7.69,1394 0.071,1395 0.038,1396 7.69,1397 4.143,1398 0.284,1399 90.787,1400 0.215,1401 28.445,1402 0.485,1403 162,1404 407.689,1405 174.407,1406 385.439,1407 522.05,1408 362,1409 194,1410 371.972,1411 208.572,1412 380.943,1413 556.53,1414 355,1415 5.569}
{0 CHEMBL313809,1 1.454,2 13.233,3 3.962,4 15.701,5 123.163,6 7.286,7 0.485,8 4.14,9 4.247,10 3.738,11 3.731,12 5.164,13 3.673,14 4.706,15 4.88,16 4.119,17 4.152,18 5.64,19 4.071,20 4.945,21 5.122,22 4.192,23 4.336,24 5.879,25 4.209,26 5.131,27 5.38,28 4.097,29 4.336,30 5.954,31 4.175,32 5.072,33 5.321,34 4.063,35 4.254,36 5.961,37 4.105,38 4.932,39 5.144,40 3.921,41 4.234,42 5.849,43 4.045,44 4.904,45 5.169,46 3.736,47 4.075,48 5.765,49 3.874,50 4.605,51 4.83,52 3.637,53 3.846,54 5.572,55 3.71,56 0.029,57 0.767,58 13.089,59 6.021,60 8.979,61 7.597,62 0.249,63 1.324,64 26.187,65 10.104,66 21.591,67 12.675,68 0.312,69 1.653,70 34.476,71 13.905,72 30.112,73 17.621,74 0.283,75 1.898,76 43.068,77 16.665,78 36.469,79 21.929,80 0.408,81 1.748,82 40.763,83 15.159,84 51.863,85 19.61,86 0.31,87 1.606,88 38.756,89 14.892,90 43.126,91 18.246,92 0.418,93 1.525,94 38.578,95 14.171,96 49.253,97 18.458,98 0.218,99 1.102,100 24.068,101 9.424,102 36.844,103 12.188,104 21,105 47,106 0.236,107 0.551,108 0.731,109 0.793,110 0.806,111 0.812,112 3.44,113 1.022,114 -1.12,115 -1.21,116 -1.29,121 43.1,123 2,126 3,127 3,137 1,138 1,144 8,145 2,146 2,154 2,159 1,176 11,180 3,187 14,189 3,191 1,192 6,200 8,203 3,206 6,214 5,216 3,219 4,227 12,229 1,234 1,239 11,243 2,244 2,251 10,253 2,256 3,264 3,266 1,269 6,277 3,279 2,281 1466,282 20.342,283 20.342,284 20.342,285 20.342,286 20.342,287 18.182,288 21.205,289 11.807,290 20.957,291 16.17,292 16.17,293 16.17,294 16.17,295 16.17,296 12.69,297 27.507,298 5.473,299 17.009,300 4.404,301 2.47,302 1.362,303 0.983,304 0.901,305 0.867,306 4.135,311 1,312 1,313 860,314 3.674,317 72.422,318 309.781,321 137.712,325 2.116,326 21.303,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 63.5,338 397,339 4.568,340 3.692,341 6.998,342 4.221,343 3.304,344 4.504,345 1.26,346 11.915,347 3.039,348 4.337,349 3.52,350 6.438,351 4.068,352 3.122,353 3.622,354 0.86,355 10.106,356 2.951,357 4.123,358 3.237,359 6.08,360 3.737,361 2.767,362 3.533,363 0.86,364 8.815,365 2.693,366 3.867,367 2.794,368 5.741,369 3.458,370 2.482,371 3.29,372 0.68,373 7.685,374 2.424,375 3.777,376 2.687,377 5.328,378 3.366,379 2.386,380 3.115,381 0.245,382 6.843,383 2.307,384 3.481,385 2.551,386 5.227,387 3.122,388 2.136,389 2.7,391 6.52,392 2.094,393 3.178,394 2.215,395 4.717,396 2.698,397 1.771,398 2.471,400 5.118,401 1.628,402 2.874,403 1.65,404 4.015,405 2.437,406 1.439,407 2.028,409 3.157,410 1.435,411 2.61,412 1.534,413 3.943,414 2.11,415 1.136,416 1.554,418 3.04,419 1.082,420 2.5,421 1.427,422 3.802,423 2,424 1.129,425 1.5,427 2.841,428 1,429 2.399,430 1.208,431 3.698,432 1.984,433 1,434 1.376,436 2.372,437 0.983,438 2,439 1.002,440 3.296,441 1.978,442 1,443 1,445 2.136,446 0.939,447 1.624,448 1,449 3.247,450 1.27,451 0.37,452 0.404,454 0.685,455 0.314,456 1.554,457 0.572,458 2.887,459 1.203,460 0.262,461 0.314,463 0.479,464 0.256,465 1.484,466 0.518,467 2.801,468 1.121,469 0.241,470 0.311,472 0.458,473 0.208,474 14.733,475 0.491,476 0.766,477 0.026,478 36.75,479 1.225,480 18,481 0.6,482 18.75,483 0.625,484 28.003,485 0.933,486 32.367,487 0.558,488 27.051,489 0.902,490 7.312,491 0.244,492 7.181,493 0.239,494 0.124,495 0.027,496 0.271,501 0.782,502 1.246,503 0.786,504 1.034,505 0.595,506 0.986,507 1.288,508 0.786,509 0.876,510 0.717,511 0.68,512 0.756,513 0.786,514 1.196,515 1.084,516 1.189,517 0.778,518 1.171,519 0.724,520 1.049,521 0.871,522 1.023,523 0.793,524 1.001,525 1.139,526 0.846,527 0.821,528 0.813,529 1.296,530 0.859,531 0.892,532 1.175,533 1.448,534 1.336,535 1.598,536 1.231,537 0.362,538 1.07,539 1.14,540 1.194,541 0.547,542 1.034,543 1.174,544 0.967,545 0.877,546 0.888,547 1.805,548 0.968,549 7.5,550 0.112,551 3.333,552 2.167,553 2.254,554 0.758,555 0.858,556 0.414,557 0.233,558 0.296,559 13080,560 30443,561 2.079,562 48.3,564 24,569 4,572 1.723,573 1.946,574 3.691,575 -0.825,577 1,582 84.306,583 1.454,584 3.388,585 4.496,586 4.875,587 4.957,588 4.991,589 3.14,590 3.857,591 4.877,592 3.861,593 1679.42,594 8.478,595 24146.2,597 1,600 339.763,601 1.524,602 4.832,603 0.227,604 0.004,605 0.071,606 0.046,607 0.054,608 0.019,609 0.025,610 0.014,611 0.009,612 0.012,613 0.481,614 0.33,615 1,616 0.812,617 156.785,618 0.019,619 -0.142,620 0.085,621 -0.03,624 -0.16,625 0.315,626 0.098,627 0.263,628 0.026,629 0.197,630 0.067,631 -0.151,632 -0.095,633 -0.163,634 0.038,635 -0.181,636 0.055,637 -0.085,638 0.069,639 -0.058,640 0.044,641 -0.007,642 -0.051,643 0.108,644 0.122,645 0.127,646 -0.043,647 0.113,648 -0.052,649 -0.152,650 -0.249,651 -0.199,652 -0.201,653 -0.212,654 0.296,655 -0.1,656 -0.009,657 -0.113,658 0.267,659 -0.007,660 -0.091,661 -0.003,662 0.016,663 0.038,664 -0.102,665 -0.001,666 1.566,667 5.91,668 0.7,669 33.516,670 0.993,671 1.115,672 -0.113,673 0.013,674 0.678,675 3.526,676 3.871,677 4.127,678 4.382,679 4.625,680 4.663,681 4.796,682 4.927,683 4.868,684 4.913,685 7.714,686 0.629,687 422.61,688 3.526,689 5.081,690 5.932,691 6.821,692 7.69,693 8.582,694 9.459,695 10.351,696 11.233,697 12.126,698 1.7,712 1,714 2,715 8,719 1,720 4,722 16,727 1,739 2,741 58,743 18,744 2,745 33,747 61,748 25,749 14,750 5,751 7,752 3,756 4,757 5,767 2,770 2,772 17,773 8,777 2,782 1,784 1,786 2,790 1,793 28,794 3,796 5,797 1,802 1,803 1,807 1,808 0.75,809 3,828 1,829 3,832 1,849 1,850 1,859 3,862 1,864 3,868 30,876 5,878 2,883 1,888 1,893 5.2,896 1,898 2,901 15.417,902 11.417,903 6.625,904 3.507,907 3.463,908 1.445,909 0.968,910 6.259,911 11.253,912 3.784,913 4.391,914 4.964,915 5.542,916 6.085,917 6.398,918 6.799,919 7.193,920 7.24,921 7.403,922 0.889,923 47,924 11.126,926 4.678,927 0.026,929 7.572,931 21.767,933 18.106,936 2.072,937 62.167,940 1,941 329.591,942 184.781,945 47.145,947 31.278,948 153.504,949 376.736,951 30.162,952 11.386,953 85.286,954 30.278,955 41.431,956 2.104,957 360.869,959 329.591,960 153.504,961 47.145,962 31.278,964 282.506,965 94.229,968 11.386,969 132.641,970 9.476,971 31.278,972 329.591,973 47.145,974 184.781,977 329.591,978 69.333,979 115.449,981 47.145,982 329.591,983 47.145,984 184.781,986 0.583,987 0.344,988 0.183,989 0.103,990 23,991 10,992 0.098,993 6,994 1,995 1.095,996 4.197,997 263.393,998 0.095,999 21,1000 139.207,1001 1,1005 21.078,1006 8.908,1007 4.787,1008 2.042,1009 47.145,1010 16.495,1014 1.511,1015 3.509,1018 561.517,1019 43,1024 12.91,1026 1.866,1028 1.361,1031 57.589,1032 64.652,1034 0.248,1035 0.578,1036 0.767,1037 0.832,1038 0.846,1039 0.852,1040 5.037,1041 1.439,1042 5.948,1043 5.118,1044 4.554,1045 5.078,1046 1.994,1047 6.79,1048 4.46,1049 6.261,1050 1.136,1051 7.531,1052 3.157,1053 4.29,1054 4.966,1055 0.931,1056 7.936,1057 4.122,1058 7.591,1059 1.129,1060 9.218,1061 3.04,1062 6.229,1063 7.3,1064 1.862,1065 10.932,1066 6.033,1067 8.954,1068 1,1069 10.968,1070 2.841,1071 6.77,1072 7.983,1073 1.381,1074 12.881,1075 6.471,1076 10.346,1077 1,1078 12.758,1079 2.372,1080 8.207,1081 9.817,1082 1.938,1083 15.462,1084 7.883,1085 11.757,1086 0.37,1087 14.576,1088 2.136,1089 9.094,1090 10.886,1091 1.783,1092 17.718,1093 8.661,1094 13.183,1095 0.262,1096 16.414,1097 0.685,1098 10.351,1099 12.517,1100 2.163,1101 20.191,1102 9.877,1103 3.304,1104 0.241,1105 18.268,1106 0.479,1107 11.393,1108 13.791,1109 2.192,1110 22.567,1111 10.815,1112 3.122,1113 11.915,1114 20.133,1115 0.458,1116 12.585,1117 15.336,1118 2.487,1119 25.018,1120 11.951,1121 2.767,1122 10.106,1123 22.009,1124 4.504,1125 13.697,1126 16.719,1127 2.615,1128 27.443,1129 12.966,1130 2.482,1131 8.815,1132 23.893,1133 3.622,1134 14.87,1135 18.231,1136 2.872,1137 29.896,1138 14.071,1139 2.386,1140 7.685,1141 25.784,1142 3.533,1143 16.014,1144 19.672,1145 3.05,1146 32.343,1147 15.123,1148 2.136,1149 6.843,1150 27.681,1151 3.29,1152 17.183,1153 21.172,1154 3.291,1155 34.801,1156 16.217,1157 1.771,1158 6.52,1159 29.584,1160 3.115,1161 18.343,1162 22.643,1163 3.495,1164 37.26,1165 17.29,1166 12406,1167 19139,1168 21.959,1169 39.296,1170 49.664,1171 50.597,1172 51.072,1173 49.003,1174 49.092,1175 63.442,1176 7.81,1177 144.339,1178 46.704,1179 5.568,1180 5.692,1181 6.8,1182 5.339,1183 5.304,1184 7.504,1185 2.12,1186 18.683,1187 5.039,1188 14.553,1189 1.505,1190 1.533,1191 1.548,1192 1.485,1193 1.488,1194 1.922,1195 0.237,1196 4.374,1197 1.415,1198 4.102,1199 4.113,1200 4.34,1201 4.113,1202 7.428,1203 4.065,1204 3.996,1205 4.037,1206 3.917,1207 3.891,1208 4.969,1209 3.888,1210 3.834,1211 3.872,1212 3.749,1213 3.747,1214 4.757,1215 3.742,1216 3.593,1217 3.615,1218 3.613,1219 3.453,1220 4.533,1221 3.456,1222 3.41,1223 3.451,1224 3.38,1225 3.259,1226 4.496,1227 3.253,1228 3.249,1229 3.314,1230 3.079,1231 2.967,1232 4.417,1233 2.97,1234 3.145,1235 3.206,1236 3,1237 2.941,1238 4.048,1239 2.937,1240 3.111,1241 3.204,1242 2.893,1243 2.934,1244 3.754,1245 2.91,1246 0.138,1247 0.112,1248 0.212,1249 0.128,1250 0.1,1251 4.568,1252 0.136,1253 3.692,1254 0.038,1255 6.998,1256 0.361,1257 4.221,1258 0.092,1259 3.304,1260 4.504,1261 1.26,1262 11.915,1263 3.039,1264 1.969,1265 1.925,1266 2.126,1267 2.131,1268 1.472,1269 2.134,1270 1.908,1271 1.903,1272 1.997,1273 1.987,1274 1.141,1275 1.984,1276 1.847,1277 1.813,1278 1.961,1279 1.944,1280 1.133,1281 1.964,1282 1.582,1283 1.565,1284 1.706,1285 1.722,1286 0.886,1287 1.726,1288 1.349,1289 1.3,1290 1.584,1291 1.537,1292 0.825,1293 1.555,1294 1.221,1295 1.176,1296 1.572,1297 1.516,1298 0.709,1299 1.534,1300 1.184,1301 1.107,1302 1.513,1303 1.442,1304 0.581,1305 1.484,1306 1.153,1307 1.064,1308 1.464,1309 1.376,1310 0.573,1311 1.429,1312 4.205,1314 5.541,1315 2.398,1316 7.071,1317 4.727,1318 8.683,1319 6.843,1320 10.338,1322 5.568,1328 5.12,1330 10.759,1335 1.026,1340 36.465,1341 84.306,1342 196.523,1343 260.743,1344 282.743,1345 287.498,1346 289.498,1347 50.399,1348 7.79,1349 35.53,1350 63.77,1351 23,1352 12.655,1353 4.248,1354 3.459,1355 47.391,1356 141,1357 132,1358 0.164,1359 226.036,1360 392.36,1361 543.289,1362 27750,1364 21.14,1365 0.705,1366 0.623,1367 21.493,1368 18.681,1369 14.492,1370 0.439,1371 0.341,1372 10.351,1373 13.532,1374 9.92,1375 8.277,1376 14.901,1377 11.245,1378 13.235,1379 0.282,1380 0.204,1381 13.877,1382 9.579,1383 11.132,1384 0.182,1385 0.119,1386 11.97,1387 7.286,1388 9.084,1389 0.115,1390 0.067,1391 9.946,1392 5.313,1393 7.591,1394 0.075,1395 0.04,1396 8.43,1397 4.041,1398 0.265,1399 94.626,1400 0.213,1401 28.809,1402 0.431,1403 160,1404 412.4,1405 195.926,1406 416.418,1407 570.35,1408 392,1409 188,1410 397.442,1411 223.853,1412 425.223,1413 618.6,1414 396,1415 5.115}
{0 CHEMBL314398,1 1.449,2 13.848,3 3.621,4 13.114,5 133.052,6 6.995,7 0.444,8 4.278,9 4.389,10 3.833,11 3.827,12 5.272,13 3.77,14 4.871,15 5.051,16 4.208,17 4.255,18 5.752,19 4.173,20 5.13,21 5.317,22 4.312,23 4.462,24 6.018,25 4.338,26 5.342,27 5.588,28 4.261,29 4.507,30 6.165,31 4.348,32 5.337,33 5.596,34 4.243,35 4.464,36 6.155,37 4.305,38 5.26,39 5.504,40 4.15,41 4.438,42 6.129,43 4.257,44 5.2,45 5.459,46 3.991,47 4.333,48 6.037,49 4.127,50 4.984,51 5.225,52 3.888,53 4.155,54 5.825,55 4.003,56 0.033,57 0.899,58 15.995,59 7.135,60 11.539,61 9.101,62 0.336,63 1.524,64 31.941,65 11.891,66 25.533,67 15.18,68 0.407,69 1.943,70 42.419,71 16.445,72 39.194,73 21.163,74 0.526,75 2.259,76 53.695,77 19.755,78 57.344,79 26.191,80 0.574,81 2.201,82 53.834,83 19.188,84 56.66,85 25.583,86 0.417,87 2.096,88 50.808,89 18.786,90 60.771,91 24.252,92 0.69,93 1.96,94 52.588,95 18.251,96 69.389,97 23.196,98 0.284,99 1.577,100 38.011,101 13.921,102 38.152,103 18.396,104 35,105 51,106 0.23,107 0.529,108 0.74,109 0.811,110 0.823,111 0.827,112 3.531,113 1.043,114 -0.81,115 -0.92,116 -1.03,121 40.3,123 3,124 1,126 4,127 3,129 1,144 8,145 2,146 2,154 2,159 1,176 10,180 5,187 13,189 3,191 1,192 7,200 10,203 3,205 1,206 5,214 3,216 2,219 8,221 1,227 9,229 2,232 1,239 11,243 2,244 5,246 1,251 9,256 2,264 7,266 2,268 2,269 5,277 2,279 1,281 1994,282 22.419,283 22.419,284 22.419,285 22.419,286 22.419,287 20.467,288 24.338,289 12.969,290 23.205,291 17.569,292 17.569,293 17.569,294 17.569,295 17.569,296 14.46,297 28.208,298 5.904,299 18.584,300 4.617,301 2.731,302 1.404,303 0.952,304 0.881,305 0.851,306 4.224,312 1,313 984,314 4.183,317 83.041,318 355.18,321 158.023,325 2.287,326 26.771,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 70.5,338 457,339 4.566,340 3.683,341 6.999,342 4.227,343 3.308,344 4.502,345 1.277,346 11.92,347 3.049,348 4.33,349 3.632,350 6.441,351 4.071,352 3.124,353 3.577,354 1.26,355 10.113,356 2.955,357 4.096,358 3.243,359 6.178,360 3.816,361 2.846,362 3.532,363 0.86,364 9.162,365 2.754,366 3.851,367 2.959,368 6.022,369 3.612,370 2.667,371 3.173,372 0.86,373 8.623,374 2.53,375 3.773,376 2.706,377 5.686,378 3.397,379 2.407,380 3.072,381 0.86,382 7.384,383 2.372,384 3.593,385 2.582,386 5.296,387 3.256,388 2.276,389 2.7,390 0.245,391 6.785,392 2.204,393 3.178,394 2.215,395 4.717,396 2.698,397 1.771,398 2.471,400 5.118,401 1.628,402 2.879,403 1.871,404 4.471,405 2.529,406 1.583,407 2.033,409 4.38,410 1.49,411 2.723,412 1.652,413 3.943,414 2.418,415 1.427,416 1.739,418 3.075,419 1.405,420 2.5,421 1.529,422 3.916,423 2.049,424 1.136,425 1.5,427 2.841,428 1.021,429 2.44,430 1.427,431 3.802,432 2,433 1.085,434 1.377,436 2.796,437 1,438 2.399,439 1.077,440 3.686,441 1.984,442 1,443 1.376,445 2.372,446 0.983,447 2,448 1.022,449 3.28,450 1.972,451 1,452 1,454 2.136,455 0.932,456 1.554,457 1,458 3.247,459 1.229,460 0.371,461 0.401,463 0.538,464 0.313,465 1.486,466 0.997,467 2.887,468 1.202,469 0.311,470 0.326,472 0.486,473 0.276,474 16.067,475 0.487,476 0.817,477 0.025,478 37.25,479 1.129,480 16.5,481 0.5,482 20.75,483 0.629,484 35.496,485 1.076,486 37.033,487 0.553,488 28.415,489 0.861,490 7.278,491 0.221,492 8.663,493 0.263,494 0.145,495 0.025,496 0.28,501 0.807,502 1.333,503 0.821,504 1.126,505 0.62,506 1.06,507 1.364,508 0.821,509 0.917,510 0.752,511 0.786,512 0.798,513 0.916,514 1.183,515 1.073,516 1.167,517 0.922,518 1.152,519 0.824,520 1.059,521 0.95,522 1.05,523 0.844,524 1.028,525 0.931,526 0.923,527 0.846,528 0.912,529 0.915,530 0.918,531 0.973,532 1.067,533 1.117,534 1.1,535 1.691,536 1.077,537 0.783,538 1,539 1.332,540 1.183,541 1.01,542 1.036,543 0.89,544 1.114,545 1.034,546 1.133,547 0.857,548 1.049,549 8,550 0.295,551 4,552 2.417,553 2.374,554 1.153,555 0.899,556 0.58,557 0.351,558 0.265,559 16435,560 37747,561 2.054,562 50.7,564 27,568 2,569 5,572 1.75,573 1.913,574 3.75,575 -0.811,582 97.072,583 1.449,584 3.335,585 4.663,586 5.114,587 5.185,588 5.215,589 3.256,590 4.317,591 5.014,592 3.932,593 2076.16,594 8.767,595 31884.4,600 406.428,601 1.554,602 4.964,603 0.222,604 0.009,605 0.078,606 0.046,607 0.048,608 0.025,609 0.021,610 0.016,611 0.01,612 0.008,613 0.484,614 0.33,615 0.88,616 0.88,617 177.376,618 0.017,619 -0.163,620 0.088,621 -0.051,622 0.014,623 -0.01,624 -0.176,625 0.29,626 0.079,627 0.253,628 -0.024,629 0.183,630 0.017,631 -0.116,632 -0.076,633 -0.121,634 0.006,635 -0.139,636 0.061,637 -0.079,638 0.016,639 -0.069,640 0.07,641 -0.038,642 0.024,643 0.034,644 0.103,645 0.037,646 0.038,647 0.058,648 -0.064,649 -0.075,650 -0.063,651 -0.066,652 -0.147,653 -0.079,654 0.124,655 -0.002,656 -0.106,657 -0.064,658 0.077,659 -0.029,661 -0.137,662 -0.032,663 -0.123,664 0.054,665 -0.049,666 1.52,667 6.168,668 0.636,669 38.454,670 0.994,671 1.121,672 -0.42,673 0.176,674 0.657,675 3.611,676 3.951,677 4.22,678 4.466,679 4.7,680 4.771,681 4.875,682 5.011,683 4.97,684 4.956,685 8.076,686 0.608,687 468.69,688 3.611,689 5.165,690 6.019,691 6.907,692 7.779,693 8.67,694 9.549,695 10.443,696 11.325,697 12.22,698 1.5,712 1,714 2,715 8,719 1,720 4,722 16,727 1,739 2,741 67,743 17,744 2,745 36,747 70,748 27,749 14,750 5,751 7,752 1,756 4,757 5,767 2,768 1,770 4,772 15,773 12,774 1,777 1,782 1,786 1,793 34,794 4,796 6,797 1,802 1,803 1,807 1,808 0.75,809 4,828 1,829 3,832 1,858 1,859 3,862 1,864 4,868 33,876 6,878 3,880 2,883 1,888 1,893 6,896 1,897 1,898 2,901 17.25,902 13.167,903 7.403,904 4.049,907 2.757,908 1.349,909 0.943,910 7.726,911 10.649,912 3.829,913 4.404,914 4.957,915 5.518,916 6.049,917 6.344,918 6.691,919 7.064,920 6.997,921 6.947,922 1,923 53,924 12.277,926 5.153,927 0.026,929 7.566,931 24.075,933 20.091,936 2.066,937 68.167,941 400.217,942 185.537,945 58.145,947 31.278,948 154.259,949 458.362,951 41.046,952 13.921,953 75.81,954 41.278,955 38.245,956 2.104,957 431.495,959 400.217,960 154.259,961 58.145,962 31.278,964 341.362,965 106,966 11,968 13.921,969 140.339,971 31.278,972 400.217,973 58.145,974 185.537,977 400.217,978 68.681,979 116.856,981 58.145,982 400.217,983 58.145,984 185.537,986 0.58,987 0.349,988 0.186,989 0.103,990 24,991 11,992 0.129,993 9,994 1,995 1.095,996 4.383,997 300.572,998 0.095,999 21,1000 158.465,1001 1,1005 24.185,1006 10.542,1007 5.588,1008 2.026,1009 58.145,1010 16.551,1014 1.51,1015 3.507,1018 643.899,1019 45,1024 13.168,1028 0.146,1031 66.567,1032 75.107,1034 0.239,1035 0.55,1036 0.769,1037 0.843,1038 0.855,1039 0.86,1040 5.088,1041 1.583,1042 6.033,1043 5.118,1044 4.635,1045 5.091,1046 2.413,1047 6.88,1048 4.532,1049 6.293,1050 1.427,1051 7.621,1052 4.38,1053 4.369,1054 4.966,1055 0.931,1056 8.028,1057 4.197,1058 7.615,1059 1.136,1060 9.313,1061 3.075,1062 6.312,1063 7.274,1064 2.52,1065 11.03,1066 6.107,1067 8.97,1068 1.085,1069 11.067,1070 2.841,1071 6.858,1072 7.962,1073 1.381,1074 12.971,1075 6.557,1076 10.356,1077 1,1078 12.861,1079 2.796,1080 8.292,1081 9.782,1082 2.788,1083 15.549,1084 7.964,1085 11.761,1086 1,1087 14.68,1088 2.372,1089 9.182,1090 10.857,1091 1.783,1092 17.792,1093 8.751,1094 13.183,1095 0.371,1096 16.519,1097 2.136,1098 10.434,1099 12.484,1100 3.152,1101 20.257,1102 9.963,1103 3.308,1104 0.311,1105 18.371,1106 0.538,1107 11.475,1108 13.763,1109 2.192,1110 22.622,1111 10.906,1112 3.124,1113 11.92,1114 20.235,1115 0.486,1116 12.663,1117 15.309,1118 3.572,1119 25.066,1120 12.039,1121 2.846,1122 10.113,1123 22.107,1124 4.502,1125 13.771,1126 16.696,1127 2.615,1128 27.482,1129 13.056,1130 2.667,1131 9.162,1132 23.987,1133 3.577,1134 14.94,1135 18.209,1136 4.021,1137 29.929,1138 14.159,1139 2.407,1140 8.623,1141 25.874,1142 3.532,1143 16.08,1144 19.653,1145 3.05,1146 32.37,1147 15.212,1148 2.276,1149 7.384,1150 27.766,1151 3.173,1152 17.246,1153 21.155,1154 4.486,1155 34.824,1156 16.305,1157 1.771,1158 6.785,1159 29.664,1160 3.072,1161 18.402,1162 22.628,1163 3.495,1164 37.279,1165 17.377,1166 15681,1167 23999,1168 23.75,1169 44.034,1170 53.516,1171 55.129,1172 56.143,1173 53.078,1174 53.186,1175 66.262,1176 10.725,1177 156.553,1178 50.313,1179 5.566,1180 5.683,1181 6.801,1182 5.346,1183 5.308,1184 7.502,1185 2.555,1186 18.703,1187 5.049,1188 17.294,1189 1.487,1190 1.531,1191 1.56,1192 1.474,1193 1.477,1194 1.841,1195 0.298,1196 4.349,1197 1.398,1198 4.102,1199 4.114,1200 4.34,1201 4.112,1202 7.427,1203 4.063,1204 4.006,1205 4.048,1206 3.921,1207 3.895,1208 4.969,1209 3.892,1210 3.844,1211 3.882,1212 3.751,1213 3.749,1214 4.758,1215 3.744,1216 3.656,1217 3.691,1218 3.628,1219 3.496,1220 4.632,1221 3.504,1222 3.486,1223 3.511,1224 3.471,1225 3.322,1226 4.525,1227 3.319,1228 3.269,1229 3.336,1230 3.152,1231 3.077,1232 4.496,1233 3.073,1234 3.249,1235 3.314,1236 3.075,1237 2.967,1238 4.327,1239 2.97,1240 3.2,1241 3.267,1242 2.998,1243 2.941,1244 3.853,1245 2.922,1246 0.127,1247 0.102,1248 0.194,1249 0.117,1250 0.092,1251 4.566,1252 0.125,1253 3.683,1254 0.035,1255 6.999,1256 0.331,1257 4.227,1258 0.085,1259 3.308,1260 4.502,1261 1.277,1262 11.92,1263 3.049,1264 1.971,1265 1.926,1266 2.139,1267 2.14,1268 1.538,1269 2.144,1270 1.908,1271 1.903,1272 2.01,1273 1.988,1274 1.212,1275 1.985,1276 1.854,1277 1.816,1278 1.963,1279 1.958,1280 1.14,1281 1.976,1282 1.647,1283 1.625,1284 1.805,1285 1.822,1286 1.045,1287 1.824,1288 1.428,1289 1.388,1290 1.613,1291 1.598,1292 0.836,1293 1.611,1294 1.235,1295 1.181,1296 1.578,1297 1.522,1298 0.825,1299 1.539,1300 1.211,1301 1.147,1302 1.573,1303 1.503,1304 0.636,1305 1.53,1306 1.184,1307 1.105,1308 1.543,1309 1.488,1310 0.581,1311 1.516,1312 4.29,1314 5.624,1315 2.398,1316 7.154,1317 4.727,1318 8.767,1319 6.843,1320 10.424,1322 7.334,1328 5.849,1330 16.66,1332 0.368,1335 1.047,1340 40.76,1341 97.072,1342 223.462,1343 312.389,1344 342.654,1345 347.408,1346 349.408,1347 66.154,1348 7.893,1349 44.76,1350 73,1351 23,1352 12.748,1353 4.17,1354 3.322,1355 54.616,1356 160,1357 159,1358 0.164,1359 252.145,1360 438.39,1361 606.993,1362 31669,1364 23.424,1365 0.71,1366 0.633,1367 23.778,1368 20.874,1369 15.941,1370 0.443,1371 0.348,1372 11.578,1373 14.828,1374 11.099,1375 9.253,1376 16.349,1377 12.516,1378 14.297,1379 0.28,1380 0.209,1381 14.939,1382 10.651,1383 12.218,1384 0.182,1385 0.125,1386 13.055,1387 8.362,1388 9.927,1389 0.115,1390 0.072,1391 10.788,1392 6.226,1393 8.16,1394 0.075,1395 0.043,1396 8.992,1397 4.733,1398 0.263,1399 104.433,1400 0.205,1401 31.082,1402 0.433,1403 174,1404 458.135,1405 212.805,1406 451.68,1407 613.06,1408 426,1409 205,1410 420.078,1411 243.843,1412 447.181,1413 649.73,1414 415,1415 6.554}
{0 CHEMBL314502,1 1.544,2 12.444,3 2.608,4 6.8,5 107.464,6 7.177,7 0.345,8 4.061,9 4.174,10 3.64,11 3.61,12 5.093,13 3.551,14 4.66,15 4.849,16 4.018,17 4.045,18 5.538,19 3.956,20 4.932,21 5.129,22 4.111,23 4.259,24 5.858,25 4.123,26 5.114,27 5.372,28 3.994,29 4.265,30 5.963,31 4.085,32 5.013,33 5.293,34 3.858,35 4.077,36 5.918,37 3.908,38 4.717,39 4.94,40 3.729,41 3.944,42 5.72,43 3.777,44 4.662,45 4.896,46 3.621,47 3.866,48 5.637,49 3.669,50 4.504,51 4.73,52 3.529,53 3.715,54 5.466,55 3.577,56 0.015,57 0.751,58 12.622,59 5.629,60 10.399,61 7.172,62 0.254,63 1.265,64 25.914,65 9.565,66 20.697,67 12.268,68 0.373,69 1.614,70 35.361,71 13.553,72 38.445,73 17.413,74 0.313,75 1.784,76 43.867,77 16.03,78 50.134,79 21.259,80 0.442,81 1.565,82 40.794,83 13.296,84 65.778,85 17.841,86 0.279,87 1.25,88 31.017,89 10.853,90 49.688,91 13.571,92 0.478,93 1.166,94 31.899,95 10.995,96 54.724,97 13.621,98 0.199,99 1.002,100 24.959,101 8.505,102 30.251,103 11.029,104 36,105 41,106 0.257,107 0.551,108 0.766,109 0.804,110 0.81,111 0.816,112 3.339,113 1.071,114 0.29,115 0.12,116 -0.1,121 38.9,123 4,124 1,126 3,127 3,144 3,145 1,146 2,154 2,159 1,160 1,176 6,180 3,187 9,189 2,191 1,192 6,194 1,200 7,203 1,206 5,214 3,216 1,219 8,227 5,229 1,232 1,239 7,243 2,244 3,246 1,251 4,256 3,264 4,266 2,269 2,279 1,281 1135,282 18.196,283 18.196,284 18.196,285 18.196,286 18.196,287 16.787,288 18.707,289 10.502,290 18.839,291 14.109,292 14.109,293 14.109,294 14.109,295 14.109,296 11.708,297 18.34,298 4.68,299 14.989,300 4.211,301 2.45,302 1.158,303 0.931,304 0.894,305 0.857,306 4.018,310 1,311 1,312 1,313 707,314 3.873,317 64.595,318 178.816,321 122.423,325 1.942,326 25.01,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 58,338 336,339 4.565,340 4.093,341 6.971,342 4.192,343 3.279,344 4.502,345 2.449,346 11.775,347 2.999,348 4.293,349 3.613,350 6.437,351 4.066,352 3.12,353 3.574,354 1.277,355 10.099,356 2.948,357 4.081,358 3.574,359 6.068,360 3.709,361 2.747,362 3.298,363 1.16,364 8.762,365 2.652,366 3.708,367 3.24,368 5.708,369 3.41,370 2.431,371 3.047,372 0.86,373 7.471,374 2.367,375 3.453,376 2.715,377 5.301,378 3.248,379 2.264,380 2.471,381 0.86,382 6.827,383 2.202,384 3.331,385 2.405,386 4.717,387 2.698,388 1.771,389 2.399,391 5.118,392 1.628,393 3.178,394 2.215,395 4.119,396 2.265,397 1.303,398 1.801,400 3.502,401 1.233,402 2.69,403 1.653,404 3.943,405 2.101,406 1.146,407 1.681,409 2.841,410 1.09,411 2.399,412 1.427,413 3.802,414 1.984,415 1.136,416 1.376,418 2.372,419 0.983,420 2,421 1.375,422 3.688,423 1.983,424 1,425 1,427 2.058,428 0.946,429 1.794,430 1.089,431 3.047,432 1.575,433 0.564,434 0.647,436 1.239,437 0.562,438 1.554,439 1.077,440 2.887,441 1.209,442 0.359,443 0.392,445 0.486,446 0.302,447 1.485,448 1.001,449 2.742,450 1.121,451 0.241,452 0.311,454 0.458,455 0.209,456 1.228,457 0.518,458 2.51,459 0.902,460 -0.084,461 -0.094,463 -0.179,464 -0.083,465 0.807,466 0.228,467 2.445,468 0.349,469 -0.575,470 -0.812,472 -0.964,473 -0.53,474 13.133,475 0.486,476 0.697,477 0.026,478 30.5,479 1.13,480 13.5,481 0.5,482 17,483 0.63,484 27.168,485 1.006,486 30.367,487 0.562,488 20.955,489 0.776,490 5.613,491 0.208,492 7.362,493 0.273,494 0.17,495 0.03,496 0.266,501 0.773,502 1.364,503 0.801,504 1.123,505 0.488,506 1.066,507 1.203,508 0.826,509 0.871,510 0.752,511 0.554,512 0.793,513 0.773,514 1.066,515 1.044,516 1.141,517 0.794,518 1.141,519 0.71,520 1.067,521 0.923,522 1.085,523 0.779,524 1.053,525 1.01,526 0.816,527 0.866,528 0.834,529 1.172,530 0.831,531 1.153,532 1.062,533 1.291,534 1.176,535 1.784,536 1.115,537 0.65,538 1.076,539 1.408,540 1.31,541 1.069,542 1.121,543 0.993,544 1.131,545 1.166,546 1.206,547 1.029,548 1.053,549 7,550 0.187,551 3.556,552 1.729,553 1.783,554 0.959,555 0.562,556 0.397,557 0.233,558 0.176,559 9170,560 23205,561 2.005,562 50,563 3,564 18,568 2,569 4,572 1.695,573 1.851,574 3.593,575 -0.769,576 1,577 1,582 83.388,583 1.544,584 3.305,585 4.597,586 4.824,587 4.861,588 4.898,589 3.087,590 4.162,591 4.725,592 3.756,593 1318.39,594 8.173,595 17546.6,597 1,599 1,600 310.764,601 1.623,602 4.663,603 0.241,604 0.009,605 0.087,606 0.041,607 0.05,608 0.031,609 0.021,610 0.017,611 0.01,612 0.008,613 0.515,614 0.33,615 1,616 1.155,617 136.32,618 0.009,619 -0.183,620 0.083,621 -0.052,622 0.063,623 -0.018,624 -0.152,625 0.275,626 0.102,627 0.256,628 0.013,629 0.194,630 0.065,631 -0.013,632 -0.062,633 -0.092,634 0.011,635 -0.122,636 0.039,637 -0.13,638 0.032,639 -0.092,640 0.012,641 -0.044,642 -0.034,643 0.112,644 0.112,645 0.104,646 -0.057,647 0.133,648 -0.14,649 -0.036,650 -0.151,651 -0.082,652 -0.218,653 -0.113,654 0.258,655 -0.069,656 -0.13,657 -0.12,658 0.056,659 -0.089,660 -0.039,661 -0.129,662 -0.077,663 -0.136,664 -0.009,665 -0.046,666 1.45,667 5.697,668 0.556,669 27.155,670 0.996,671 1.125,672 -1.521,673 2.312,674 0.658,675 3.401,676 3.738,677 3.989,678 4.205,679 4.431,680 4.5,681 4.554,682 4.663,683 4.585,684 4.5,685 7.195,686 0.61,687 387.57,688 3.401,689 4.949,690 5.796,691 6.681,692 7.549,693 8.437,694 9.312,695 10.201,696 11.081,697 11.971,698 3.7,707 1,712 1,714 2,715 3,719 1,720 3,722 10,727 1,739 2,741 54,743 12,744 1,745 29,747 56,748 21,749 8,750 4,751 2,752 1,756 3,757 4,767 2,768 1,770 4,771 1,772 9,773 11,774 1,777 1,782 1,786 1,790 1,793 27,794 4,796 6,797 1,802 2,803 1,807 1,808 0.667,809 3,828 1,829 2,832 1,838 1,859 2,862 1,864 3,868 27,876 7,878 2,880 1,883 1,885 1,888 1,889 1,891 1,893 5.6,896 1,898 2,901 14.583,902 10.7,903 6.125,904 3.404,907 2.169,908 1.297,909 0.925,910 6.392,911 9.463,912 3.638,913 4.178,914 4.722,915 5.296,916 5.822,917 6.213,918 6.564,919 6.926,920 6.815,921 6.665,922 1,923 42,924 10.022,926 4.183,927 0.026,929 7.71,931 19.514,933 16.213,936 2.21,937 59.667,940 1,941 317.82,942 143.223,943 31.059,945 47.145,947 31.278,948 111.946,949 364.964,950 31.059,951 30.162,952 16.455,953 28.429,954 46.88,955 66.119,956 2.104,957 349.097,959 317.82,960 143.005,961 47.145,962 31.278,964 270.735,965 94.229,968 47.515,969 95.49,971 31.278,972 317.82,973 78.204,974 143.223,977 317.82,978 68.03,979 58.591,980 16.602,981 78.204,982 317.82,983 78.204,984 143.223,986 0.578,987 0.347,988 0.18,989 0.099,990 19,991 9,992 0.125,993 7,994 1,995 1.133,996 3.869,997 220.663,998 0.133,999 15,1000 122.382,1001 1,1005 20.107,1006 8.583,1007 4.619,1008 2.057,1009 78.204,1010 5.827,1014 1.523,1015 2.176,1018 539.247,1019 37,1024 12.697,1028 0.217,1031 53.807,1032 60.735,1034 0.268,1035 0.574,1036 0.799,1037 0.838,1038 0.845,1039 0.851,1040 4.909,1041 1.146,1042 5.82,1043 3.502,1044 4.419,1045 4.864,1046 3.044,1047 6.671,1048 4.308,1049 6.129,1050 1.136,1051 7.415,1052 2.841,1053 4.205,1054 4.82,1055 0.931,1056 7.877,1057 4.02,1058 7.46,1059 1,1060 9.115,1061 2.372,1062 6.111,1063 7.063,1064 4.405,1065 10.842,1066 5.888,1067 8.823,1068 0.564,1069 10.877,1070 2.058,1071 6.698,1072 7.843,1073 1.525,1074 12.824,1075 6.376,1076 10.215,1077 0.359,1078 12.677,1079 1.239,1080 8.112,1081 9.613,1082 6.09,1083 15.384,1084 7.753,1085 11.627,1086 0.241,1087 14.504,1088 0.486,1089 9.028,1090 10.767,1091 2.806,1092 17.648,1093 8.562,1094 13.053,1095 -0.084,1096 16.349,1097 0.458,1098 10.271,1099 12.364,1100 7.854,1101 20.106,1102 9.756,1103 3.279,1104 -0.575,1105 18.207,1106 -0.179,1107 11.326,1108 13.698,1109 4.631,1110 22.478,1111 10.708,1112 3.12,1113 11.775,1114 20.077,1115 -0.964,1116 12.511,1117 15.23,1118 9.636,1119 24.916,1120 11.831,1121 2.747,1122 10.099,1123 21.955,1124 4.502,1125 13.626,1126 16.651,1127 6.58,1128 27.331,1129 12.85,1130 2.431,1131 8.762,1132 23.84,1133 3.574,1134 14.793,1135 18.159,1136 11.423,1137 29.77,1138 13.945,1139 2.264,1140 7.471,1141 25.732,1142 3.298,1143 15.936,1144 19.622,1145 8.529,1146 32.206,1147 14.996,1148 1.771,1149 6.827,1150 27.629,1151 3.047,1152 17.099,1153 21.124,1154 13.211,1155 34.651,1156 16.081,1157 1.303,1158 5.118,1159 29.53,1160 2.471,1161 18.255,1162 22.607,1163 10.459,1164 37.096,1165 17.148,1166 9055,1167 14558,1168 18.781,1169 35.54,1170 43.888,1171 47.249,1172 45.509,1173 42.648,1174 42.723,1175 52.995,1176 13.214,1177 126.013,1178 40.24,1179 5.565,1180 6.093,1181 6.688,1182 5.309,1183 5.279,1184 7.502,1185 4.89,1186 18.529,1187 4.999,1188 15.465,1189 1.513,1190 1.629,1191 1.569,1192 1.471,1193 1.473,1194 1.827,1195 0.456,1196 4.345,1197 1.388,1198 4.096,1199 4.102,1200 4.339,1201 4.11,1202 7.427,1203 4.061,1204 3.967,1205 4.028,1206 3.859,1207 3.811,1208 6.818,1209 3.811,1210 3.666,1211 3.71,1212 3.634,1213 3.515,1214 4.968,1215 3.521,1216 3.499,1217 3.53,1218 3.47,1219 3.359,1220 4.528,1221 3.353,1222 3.322,1223 3.376,1224 3.253,1225 3.143,1226 4.496,1227 3.143,1228 3.249,1229 3.314,1230 3.077,1231 2.967,1232 4.377,1233 2.97,1234 3.149,1235 3.229,1236 3.017,1237 2.941,1238 3.965,1239 2.929,1240 3.111,1241 3.206,1242 2.897,1243 2.92,1244 3.766,1245 2.91,1246 0.157,1247 0.141,1248 0.24,1249 0.145,1250 0.113,1251 4.565,1252 0.155,1253 4.093,1254 0.084,1255 6.971,1256 0.406,1257 4.192,1258 0.103,1259 3.279,1260 4.502,1261 2.449,1262 11.775,1263 2.999,1264 1.933,1265 1.903,1266 2.13,1267 2.124,1268 1.535,1269 2.13,1270 1.908,1271 1.873,1272 1.964,1273 1.987,1274 1.167,1275 1.983,1276 1.67,1277 1.642,1278 1.849,1279 1.836,1280 1.139,1281 1.849,1282 1.469,1283 1.427,1284 1.631,1285 1.62,1286 0.868,1287 1.635,1288 1.247,1289 1.191,1290 1.576,1291 1.524,1292 0.825,1293 1.54,1294 1.21,1295 1.16,1296 1.564,1297 1.505,1298 0.638,1299 1.528,1300 1.173,1301 1.097,1302 1.513,1303 1.386,1304 0.58,1305 1.429,1306 1.153,1307 1.064,1308 1.431,1309 1.376,1310 0.57,1311 1.408,1312 4.078,1314 5.407,1315 2.398,1316 6.932,1317 4.727,1318 8.544,1319 6.843,1320 10.199,1322 5.394,1328 6.392,1330 10.698,1332 0.591,1335 0.848,1338 8.953,1339 2.295,1340 32.959,1341 83.388,1342 178.46,1343 248.235,1344 260.499,1345 262.499,1346 264.499,1347 57.338,1348 7.294,1349 59.32,1350 87.56,1351 17,1352 12.502,1353 3.7,1354 3.17,1355 47.358,1356 117,1357 123,1358 0.198,1359 207.71,1360 362.7,1361 498.571,1362 14300,1364 19.441,1365 0.72,1366 0.635,1367 19.795,1368 17.156,1369 12.975,1370 0.447,1371 0.357,1372 9.45,1373 11.964,1374 9.06,1375 7.551,1376 13.383,1377 10.352,1378 11.618,1379 0.283,1380 0.219,1381 12.261,1382 8.99,1383 9.805,1384 0.185,1385 0.133,1386 10.642,1387 7.034,1388 7.714,1389 0.117,1390 0.076,1391 8.587,1392 5.033,1393 6.207,1394 0.075,1395 0.046,1396 7.018,1397 3.851,1398 0.319,1399 85.873,1400 0.231,1401 26.334,1402 0.52,1403 140,1404 388.045,1405 176.62,1406 389.306,1407 519.67,1408 364,1409 164,1410 348.85,1411 200.213,1412 372.815,1413 538.51,1414 346,1415 6}
{0 CHEMBL314658,1 1.454,2 13.233,3 3.676,4 13.513,5 122.957,6 7.286,7 0.485,8 4.14,9 4.247,10 3.738,11 3.731,12 5.164,13 3.673,14 4.706,15 4.88,16 4.119,17 4.152,18 5.632,19 4.071,20 4.94,21 5.112,22 4.193,23 4.336,24 5.893,25 4.21,26 5.131,27 5.379,28 4.1,29 4.339,30 5.964,31 4.176,32 5.06,33 5.307,34 4.062,35 4.251,36 5.942,37 4.103,38 4.932,39 5.145,40 3.919,41 4.23,42 5.846,43 4.044,44 4.923,45 5.195,46 3.735,47 4.079,48 5.765,49 3.874,50 4.603,51 4.821,52 3.641,53 3.839,54 5.577,55 3.709,56 0.029,57 0.767,58 13.089,59 6.021,60 8.957,61 7.597,62 0.249,63 1.324,64 26.187,65 10.104,66 19.906,67 12.675,68 0.316,69 1.639,70 34.222,71 13.875,72 32.483,73 17.474,74 0.287,75 1.906,76 43.94,77 16.857,78 39.101,79 21.998,80 0.394,81 1.738,82 40.13,83 14.932,84 48.346,85 19.359,86 0.306,87 1.598,88 37.883,89 14.7,90 42.439,91 18.177,92 0.428,93 1.549,94 39.465,95 14.427,96 49.139,97 18.856,98 0.246,99 1.092,100 24.074,101 9.285,102 37.748,103 11.848,104 21,105 47,106 0.236,107 0.557,108 0.753,109 0.826,110 0.84,111 0.845,112 3.44,113 1.02,114 -1.12,115 -1.21,116 -1.29,121 43.1,123 2,126 3,127 3,137 1,138 1,144 8,145 2,146 2,154 2,159 1,176 11,180 3,187 14,189 3,191 1,192 6,200 8,203 3,206 6,214 5,216 3,219 4,227 12,229 1,234 1,239 11,243 2,244 2,251 10,253 2,256 3,264 3,266 1,269 6,277 3,279 2,281 1466,282 20.342,283 20.342,284 20.342,285 20.342,286 20.342,287 18.105,288 22.189,289 11.807,290 20.957,291 16.17,292 16.17,293 16.17,294 16.17,295 16.17,296 12.656,297 27.417,298 5.473,299 17.009,300 4.404,301 2.435,302 1.224,303 0.776,304 0.694,305 0.66,306 4.135,311 1,312 1,313 860,314 3.674,317 72.422,318 309.781,321 137.712,325 2.116,326 21.867,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 63.5,338 397,339 4.566,340 3.718,341 6.998,342 4.221,343 3.304,344 4.502,345 1.489,346 11.915,347 3.039,348 4.346,349 3.637,350 6.438,351 4.068,352 3.122,353 3.589,354 1.31,355 10.106,356 2.951,357 4.097,358 3.243,359 6.08,360 3.737,361 2.767,362 3.54,363 0.86,364 8.815,365 2.693,366 3.859,367 2.804,368 5.741,369 3.458,370 2.482,371 3.278,372 0.86,373 7.685,374 2.424,375 3.755,376 2.685,377 5.328,378 3.366,379 2.386,380 3.072,381 0.584,382 6.843,383 2.307,384 3.539,385 2.553,386 5.227,387 3.122,388 2.136,389 2.776,390 0.359,391 6.52,392 2.094,393 3.178,394 2.215,395 4.717,396 2.698,397 1.771,398 2.471,399 0.13,400 5.118,401 1.628,402 2.872,403 1.652,404 4.015,405 2.437,406 1.439,407 2.026,409 3.157,410 1.435,411 2.639,412 1.543,413 3.943,414 2.11,415 1.136,416 1.592,418 3.04,419 1.082,420 2.5,421 1.427,422 3.802,423 2,424 1.129,425 1.5,427 2.841,428 1,429 2.399,430 1.413,431 3.698,432 1.984,433 1,434 1.376,436 2.372,437 0.983,438 2.083,439 1.004,440 3.296,441 1.978,442 1,443 1.043,445 2.136,446 0.939,447 1.554,448 1,449 3.247,450 1.27,451 0.37,452 0.4,454 0.685,455 0.314,456 1.486,457 0.927,458 2.887,459 1.203,460 0.262,461 0.311,463 0.479,464 0.256,465 1.404,466 0.518,467 2.801,468 1.121,469 0.241,470 0.286,472 0.458,473 0.208,474 14.733,475 0.491,476 0.766,477 0.026,478 36.25,479 1.208,480 17.5,481 0.583,482 18.75,483 0.625,484 28.418,485 0.947,486 32.367,487 0.558,488 26.636,489 0.888,490 7.245,491 0.241,492 7.248,493 0.242,494 0.124,495 0.027,496 0.271,501 0.782,502 1.246,503 0.786,504 1.034,505 0.597,506 0.986,507 1.288,508 0.786,509 0.876,510 0.717,511 0.718,512 0.756,513 0.839,514 1.216,515 1.106,516 1.208,517 0.937,518 1.194,519 0.729,520 1.059,521 0.926,522 1.055,523 0.781,524 1.008,525 1.113,526 0.859,527 0.828,528 0.825,529 1.179,530 0.87,531 0.885,532 1.163,533 1.38,534 1.295,535 1.581,536 1.223,537 0.352,538 1.034,539 1.106,540 1.156,541 0.549,542 0.998,543 1.376,544 0.958,545 0.923,546 0.88,547 1.903,548 0.973,549 7.5,550 0.112,551 3.333,552 2.167,553 2.254,554 0.758,555 0.858,556 0.414,557 0.233,558 0.296,559 13080,560 30505,561 2.079,562 48.3,564 24,568 2,569 2,572 1.723,573 1.946,574 3.691,575 -0.825,577 1,582 84.306,583 1.454,584 3.423,585 4.634,586 5.082,587 5.164,588 5.198,589 3.14,590 3.857,591 4.877,592 3.861,593 1679.42,594 8.478,595 24146.2,597 1,600 339.763,601 1.524,602 4.832,603 0.227,604 0.004,605 0.071,606 0.046,607 0.054,608 0.019,609 0.025,610 0.014,611 0.009,612 0.012,613 0.481,614 0.33,615 1,616 0.812,617 156.785,618 0.019,619 -0.142,620 0.085,621 -0.03,622 -0.002,624 -0.16,625 0.315,626 0.098,627 0.263,628 -0.013,629 0.197,630 0.055,631 -0.174,632 -0.115,633 -0.179,634 0.006,635 -0.204,636 0.052,637 -0.089,638 0.053,639 -0.068,640 0.059,641 -0.01,642 -0.049,643 0.104,644 0.114,645 0.115,646 -0.024,647 0.1,648 -0.049,649 -0.148,650 -0.228,651 -0.186,652 -0.187,653 -0.209,654 0.3,655 -0.07,656 0.022,657 -0.081,658 0.256,659 0.029,660 -0.144,661 0.006,662 -0.02,663 0.043,664 -0.147,665 -0.016,666 1.473,667 5.946,668 0.7,669 33.516,670 0.993,671 1.115,672 -0.113,673 0.013,674 0.678,675 3.526,676 3.871,677 4.127,678 4.382,679 4.625,680 4.663,681 4.796,682 4.927,683 4.868,684 4.913,685 7.714,686 0.629,687 422.61,688 3.526,689 5.081,690 5.932,691 6.821,692 7.69,693 8.582,694 9.459,695 10.351,696 11.233,697 12.126,698 1.7,712 1,714 2,715 8,719 1,720 4,722 16,727 1,739 2,741 58,743 18,744 2,745 33,747 61,748 25,749 14,750 5,751 7,752 1,756 4,757 5,767 1,770 2,772 17,773 8,777 2,782 1,784 1,786 2,790 1,793 28,794 3,796 5,797 1,802 1,803 1,807 1,808 0.75,809 3,828 1,829 3,832 1,849 1,850 1,859 3,862 1,864 3,868 30,876 5,878 2,883 1,888 1,893 5.2,896 1,898 2,901 15.417,902 11.417,903 6.625,904 3.465,907 3.194,908 1.41,909 0.968,910 6.259,911 10.985,912 3.784,913 4.391,914 4.95,915 5.534,916 6.074,917 6.364,918 6.739,919 7.123,920 7.104,921 7.188,922 0.889,923 47,924 11.13,926 4.681,927 0.026,929 7.572,931 21.767,933 18.102,936 2.072,937 62.167,940 1,941 329.591,942 184.781,945 47.145,947 31.278,948 153.504,949 376.736,951 30.162,952 11.386,953 85.286,954 30.278,955 41.431,956 2.104,957 360.869,959 329.591,960 153.504,961 47.145,962 31.278,964 306.049,965 70.687,968 11.386,969 132.641,970 9.476,971 31.278,972 329.591,973 47.145,974 184.781,977 329.591,978 69.333,979 115.449,981 47.145,982 329.591,983 47.145,984 184.781,986 0.583,987 0.344,988 0.183,989 0.103,990 23,991 10,992 0.115,993 7,994 1,995 1.095,996 4.197,997 263.393,998 0.095,999 21,1000 143.207,1001 1,1005 21.078,1006 8.908,1007 4.787,1008 2.062,1009 47.145,1010 16.501,1014 1.528,1015 3.543,1018 561.517,1019 43,1024 12.946,1026 2.281,1028 1.454,1031 57.589,1032 64.652,1034 0.248,1035 0.584,1036 0.791,1037 0.867,1038 0.881,1039 0.887,1040 5.037,1041 1.439,1042 5.948,1043 5.118,1044 4.554,1045 5.078,1046 2.492,1047 6.79,1048 4.46,1049 6.261,1050 1.136,1051 7.531,1052 3.157,1053 4.29,1054 4.966,1055 0.931,1056 7.936,1057 4.122,1058 7.591,1059 1.129,1060 9.218,1061 3.04,1062 6.229,1063 7.294,1064 2.817,1065 10.932,1066 6.033,1067 8.953,1068 1,1069 10.968,1070 2.841,1071 6.77,1072 7.976,1073 1.505,1074 12.881,1075 6.471,1076 10.344,1077 1,1078 12.758,1079 2.372,1080 8.207,1081 9.808,1082 3.395,1083 15.462,1084 7.883,1085 11.755,1086 0.37,1087 14.576,1088 2.136,1089 9.094,1090 10.875,1091 2.008,1092 17.718,1093 8.661,1094 13.179,1095 0.262,1096 16.414,1097 0.685,1098 10.351,1099 12.506,1100 4.083,1101 20.191,1102 9.877,1103 3.304,1104 0.241,1105 18.268,1106 0.479,1107 11.393,1108 13.779,1109 2.509,1110 22.567,1111 10.815,1112 3.122,1113 11.915,1114 20.133,1115 0.458,1116 12.585,1117 15.325,1118 4.819,1119 25.018,1120 11.951,1121 2.767,1122 10.106,1123 22.009,1124 4.502,1125 13.697,1126 16.708,1127 3.021,1128 27.443,1129 12.966,1130 2.482,1131 8.815,1132 23.893,1133 3.589,1134 14.87,1135 18.221,1136 5.577,1137 29.896,1138 14.071,1139 2.386,1140 7.685,1141 25.784,1142 3.54,1143 16.014,1144 19.662,1145 3.544,1146 32.343,1147 15.123,1148 2.136,1149 6.843,1150 27.681,1151 3.278,1152 17.183,1153 21.163,1154 6.347,1155 34.801,1156 16.217,1157 1.771,1158 6.52,1159 29.584,1160 3.072,1161 18.343,1162 22.634,1163 4.073,1164 37.26,1165 17.29,1166 12406,1167 19147,1168 21.959,1169 39.296,1170 49.465,1171 50.822,1172 51.072,1173 49.003,1174 49.092,1175 63.524,1176 11.182,1177 144.339,1178 46.704,1179 5.521,1180 5.718,1181 6.8,1182 5.339,1183 5.304,1184 7.502,1185 2.977,1186 18.683,1187 5.039,1188 14.553,1189 1.499,1190 1.54,1191 1.548,1192 1.485,1193 1.488,1194 1.925,1195 0.339,1196 4.374,1197 1.415,1198 4.102,1199 4.114,1200 4.34,1201 4.112,1202 7.427,1203 4.064,1204 3.999,1205 4.04,1206 3.922,1207 3.894,1208 4.969,1209 3.892,1210 3.835,1211 3.873,1212 3.75,1213 3.751,1214 4.758,1215 3.746,1216 3.598,1217 3.622,1218 3.615,1219 3.455,1220 4.531,1221 3.457,1222 3.409,1223 3.451,1224 3.365,1225 3.252,1226 4.496,1227 3.246,1228 3.249,1229 3.314,1230 3.081,1231 2.968,1232 4.464,1233 2.971,1234 3.173,1235 3.233,1236 3.038,1237 2.966,1238 4.005,1239 2.969,1240 3.039,1241 3.129,1242 2.895,1243 2.873,1244 3.763,1245 2.846,1246 0.138,1247 0.113,1248 0.212,1249 0.128,1250 0.1,1251 4.566,1252 0.136,1253 3.718,1254 0.045,1255 6.998,1256 0.361,1257 4.221,1258 0.092,1259 3.304,1260 4.502,1261 1.489,1262 11.915,1263 3.039,1264 1.971,1265 1.928,1266 2.124,1267 2.131,1268 1.451,1269 2.134,1270 1.908,1271 1.903,1272 1.996,1273 1.987,1274 1.143,1275 1.984,1276 1.848,1277 1.814,1278 1.961,1279 1.944,1280 1.135,1281 1.964,1282 1.592,1283 1.575,1284 1.729,1285 1.741,1286 0.953,1287 1.748,1288 1.35,1289 1.299,1290 1.584,1291 1.537,1292 0.761,1293 1.554,1294 1.223,1295 1.176,1296 1.572,1297 1.516,1298 0.656,1299 1.534,1300 1.186,1301 1.109,1302 1.504,1303 1.453,1304 0.582,1305 1.492,1306 1.091,1307 1.007,1308 1.421,1309 1.3,1310 0.574,1311 1.352,1312 4.205,1314 5.541,1315 2.398,1316 7.071,1317 4.727,1318 8.683,1319 6.843,1320 10.338,1322 5.555,1328 4.541,1330 10.765,1335 0.99,1340 36.465,1341 84.306,1342 198.523,1343 268.743,1344 294.743,1345 299.498,1346 301.498,1347 51.09,1348 7.79,1349 35.53,1350 63.77,1351 23,1352 12.655,1353 4.248,1354 3.459,1355 47.391,1356 141,1357 132,1358 0.164,1359 226.036,1360 392.36,1361 543.289,1362 27750,1364 21.14,1365 0.705,1366 0.623,1367 21.493,1368 18.681,1369 14.492,1370 0.439,1371 0.34,1372 10.324,1373 13.532,1374 9.885,1375 8.246,1376 14.901,1377 11.218,1378 13.235,1379 0.282,1380 0.204,1381 13.877,1382 9.579,1383 11.132,1384 0.182,1385 0.119,1386 11.97,1387 7.231,1388 9.084,1389 0.115,1390 0.067,1391 9.946,1392 5.275,1393 7.591,1394 0.075,1395 0.04,1396 8.43,1397 4.019,1398 0.265,1399 94.626,1400 0.213,1401 28.809,1402 0.431,1403 160,1404 412.4,1405 195.926,1406 416.231,1407 569.43,1408 392,1409 188,1410 395.442,1411 223.853,1412 423.212,1413 615.28,1414 394,1415 4.523}
{0 CHEMBL314766,1 1.528,2 13.276,3 2.584,4 6.678,5 113.253,6 7.129,7 0.323,8 4.154,9 4.261,10 3.718,11 3.66,12 5.177,13 3.612,14 4.756,15 4.942,16 4.098,17 4.087,18 5.701,19 4.011,20 4.999,21 5.187,22 4.184,23 4.301,24 5.95,25 4.176,26 5.195,27 5.439,28 4.106,29 4.319,30 6.077,31 4.161,32 5.163,33 5.426,34 4,35 4.173,36 6.07,37 4.033,38 4.913,39 5.122,40 3.85,41 4.102,42 5.891,43 3.938,44 4.926,45 5.193,46 3.713,47 4.025,48 5.798,49 3.81,50 4.701,51 4.945,52 3.618,53 3.825,54 5.599,55 3.681,56 0.011,57 0.8,58 14.041,59 6.253,60 8.11,61 7.842,62 0.449,63 1.329,64 29.011,65 10.292,66 35.121,67 13.135,68 0.517,69 1.67,70 38.001,71 14.25,72 44.534,73 18.246,74 0.404,75 1.861,76 47.327,77 16.698,78 59.666,79 22.082,80 0.746,81 1.672,82 47.593,83 14.608,84 80.456,85 19.242,86 0.422,87 1.438,88 36.889,89 12.977,90 60.578,91 16.216,92 0.597,93 1.412,94 40.376,95 13.526,96 65.683,97 17.517,98 0.318,99 1.131,100 30.351,101 9.983,102 38.665,103 13.175,104 48,105 44,106 0.251,107 0.526,108 0.748,109 0.79,110 0.819,111 0.824,112 3.407,113 1.059,114 0.03,115 -0.12,116 -0.32,121 37.3,123 4,124 1,126 4,127 3,144 3,145 1,146 2,154 2,159 1,160 1,176 6,179 1,180 3,187 9,189 2,191 1,192 6,194 2,200 7,203 1,206 5,214 3,216 1,219 10,227 5,229 1,232 2,239 7,243 2,244 4,246 1,251 4,256 4,264 4,266 2,269 2,279 1,281 1374,282 19.35,283 19.35,284 19.35,285 19.35,286 19.35,287 17.994,288 20.414,289 11.065,290 20.121,291 15.064,292 15.064,293 15.064,294 15.064,295 15.064,296 12.665,297 19.963,298 4.995,299 16.014,300 4.355,301 2.681,302 1.327,303 1.073,304 0.899,305 0.865,306 4.084,311 1,312 1,313 806,314 4.243,317 71.936,318 197.312,321 136.365,325 2.078,326 30.974,329 1,330 1,331 0.83,332 0.9,333 1,334 1,335 1,336 0.96,337 63.5,338 385,339 4.565,340 3.838,341 6.995,342 4.215,343 3.299,344 4.502,345 2.475,346 11.899,347 3.024,348 4.313,349 3.612,350 6.437,351 4.066,352 3.12,353 3.574,354 1.277,355 10.099,356 2.949,357 4.081,358 3.435,359 6.068,360 3.709,361 2.747,362 3.341,363 1.215,364 8.762,365 2.653,366 3.708,367 3.24,368 5.708,369 3.425,370 2.444,371 3.047,372 0.86,373 7.471,374 2.386,375 3.538,376 2.715,377 5.308,378 3.262,379 2.279,380 2.668,381 0.86,382 6.845,383 2.21,384 3.342,385 2.399,386 4.933,387 3.123,388 2.152,389 2.471,390 0.317,391 5.633,392 2.06,393 3.178,394 2.215,395 4.717,396 2.698,397 1.771,398 2.363,400 5.118,401 1.628,402 2.69,403 1.653,404 4.117,405 2.254,406 1.292,407 1.689,409 3.497,410 1.221,411 2.399,412 1.461,413 3.943,414 1.984,415 1.136,416 1.376,418 2.841,419 0.983,420 2,421 1.427,422 3.802,423 1.983,424 1,425 1,427 2.372,428 0.946,429 1.789,430 1.127,431 3.42,432 1.605,433 0.603,434 0.67,436 1.384,437 0.594,438 1.554,439 1.077,440 3.016,441 1.258,442 0.384,443 0.406,445 0.568,446 0.331,447 1.498,448 1.001,449 2.887,450 1.207,451 0.352,452 0.382,454 0.481,455 0.299,456 1.485,457 0.716,458 2.739,459 1.121,460 0.241,461 0.311,463 0.458,464 0.209,465 1.113,466 0.518,467 2.465,468 0.921,469 -0.079,470 -0.086,472 -0.175,473 -0.078,474 13.9,475 0.479,476 0.803,477 0.028,478 30.5,479 1.052,480 12,481 0.414,482 18.5,483 0.638,484 30.742,485 1.06,486 33.8,487 0.573,488 22.826,489 0.787,490 5.888,491 0.203,492 7.981,493 0.275,494 0.192,495 0.029,496 0.288,501 0.763,502 1.451,503 0.803,504 1.2,505 0.546,506 1.114,507 1.096,508 0.804,509 0.864,510 0.725,511 0.592,512 0.768,513 0.761,514 1.117,515 1.051,516 1.145,517 0.86,518 1.154,519 0.761,520 1.128,521 0.938,522 1.123,523 0.927,524 1.082,525 1.25,526 0.752,527 0.913,528 0.767,529 1.227,530 0.791,531 1.135,532 1.15,533 1.31,534 1.222,535 1.59,536 1.219,537 0.524,538 0.996,539 1.176,540 1.156,541 0.818,542 1.025,543 0.9,544 1.043,545 1.054,546 1.088,547 0.913,548 0.971,549 8,550 0.237,551 3.778,552 2.104,553 2.023,554 0.987,555 0.663,556 0.456,557 0.233,558 0.196,559 11252,560 30114,561 1.985,562 50.8,563 3,564 21,568 2,569 4,572 1.713,573 1.822,574 3.686,575 -0.751,577 1,582 90.152,583 1.528,584 3.202,585 4.555,586 4.81,587 4.984,588 5.018,589 3.125,590 4.306,591 4.829,592 3.861,593 1567.49,594 8.377,595 22273.7,597 1,599 1,600 347.076,601 1.658,602 4.76,603 0.258,604 0.01,605 0.086,606 0.047,607 0.051,608 0.027,609 0.022,610 0.018,611 0.009,612 0.009,613 0.536,614 0.33,615 1,616 1.311,617 150.556,618 -0.005,619 -0.219,620 0.083,621 -0.08,622 0.011,623 -0.031,624 -0.071,625 0.324,626 0.116,627 0.293,628 0.067,629 0.225,630 0.059,631 -0.02,632 -0.068,633 -0.071,634 -0.001,635 -0.119,636 0.011,637 -0.153,638 0.014,639 -0.126,640 -0.013,641 -0.072,642 -0.126,643 0.165,644 0.073,645 0.151,646 -0.079,647 0.153,648 -0.167,649 -0.118,650 -0.227,651 -0.134,652 -0.216,653 -0.206,654 0.184,655 -0.021,656 -0.02,657 -0.045,658 0.072,659 0.001,660 -0.035,661 -0.065,662 -0.008,663 -0.05,664 0.006,665 0.034,666 1.82,667 5.76,668 0.517,669 32.1,670 1.002,671 1.127,672 -1.262,673 1.592,674 0.643,675 3.466,676 3.807,677 4.043,678 4.263,679 4.489,680 4.543,681 4.615,682 4.736,683 4.644,684 4.564,685 7.724,686 0.6,687 420.6,688 3.466,689 5.017,690 5.861,691 6.746,692 7.611,693 8.5,694 9.373,695 10.264,696 11.141,697 12.032,698 1.7,712 1,714 2,715 3,719 1,720 3,722 10,727 1,739 2,741 59,743 12,744 1,745 31,747 61,748 22,749 8,750 4,751 2,752 1,756 3,757 4,767 2,768 1,770 4,772 10,773 12,774 1,777 2,782 2,786 2,790 1,793 30,794 5,796 7,797 1,802 1,803 1,807 1,808 0.667,809 5,828 1,829 2,832 1,846 1,859 2,862 1,864 4,868 29,876 7,878 3,880 1,883 1,888 1,893 8.5,896 2,898 3,901 15.917,902 11.833,903 6.542,904 3.604,907 2.083,908 1.28,909 0.916,910 7.305,911 9.522,912 3.664,913 4.223,914 4.748,915 5.301,916 5.831,917 6.217,918 6.567,919 6.93,920 6.819,921 6.668,922 0.889,923 45,924 10.792,926 4.501,927 0.026,929 7.753,931 20.868,933 17.156,936 2.253,937 65.333,940 1,941 353.133,942 144.696,945 83.29,947 31.278,948 113.418,949 436.423,951 41.046,952 16.455,953 28.429,954 62.615,955 46.059,956 2.104,957 384.411,959 353.133,960 113.418,961 83.29,962 31.278,964 306.049,965 130.374,968 16.455,969 96.963,971 31.278,972 353.133,973 83.29,974 144.696,977 353.133,978 75.222,979 69.474,981 83.29,982 353.133,983 83.29,984 144.696,986 0.582,987 0.345,988 0.174,989 0.098,990 20,991 10,992 0.148,993 9,994 1,995 1.133,996 4.026,997 242.177,998 0.133,999 15,1000 136.881,1001 1,1005 22.198,1006 9.544,1007 5.358,1008 2.032,1009 83.29,1010 5.801,1014 1.51,1015 2.14,1018 581.119,1019 38,1024 24.357,1028 0.042,1031 59.127,1032 66.486,1034 0.26,1035 0.544,1036 0.774,1037 0.818,1038 0.847,1039 0.853,1040 4.931,1041 1.292,1042 5.889,1043 5.118,1044 4.489,1045 4.909,1046 2.982,1047 6.735,1048 4.378,1049 6.144,1050 1.136,1051 7.482,1052 3.497,1053 4.29,1054 4.913,1055 2.394,1056 7.917,1057 4.118,1058 7.475,1059 1,1060 9.177,1061 2.841,1062 6.176,1063 7.101,1064 4.083,1065 10.891,1066 5.955,1067 8.839,1068 0.603,1069 10.932,1070 2.372,1071 6.758,1072 7.897,1073 4.36,1074 12.859,1075 6.447,1076 10.233,1077 0.384,1078 12.726,1079 1.384,1080 8.163,1081 9.639,1082 5.616,1083 15.433,1084 7.81,1085 11.645,1086 0.352,1087 14.547,1088 0.568,1089 9.074,1090 10.794,1091 6.257,1092 17.698,1093 8.618,1094 13.073,1095 0.241,1096 16.387,1097 0.481,1098 10.315,1099 12.379,1100 7.324,1101 20.169,1102 9.807,1103 3.299,1104 -0.079,1105 18.243,1106 0.458,1107 11.369,1108 13.712,1109 8.113,1110 22.549,1111 10.761,1112 3.12,1113 11.899,1114 20.11,1115 -0.175,1116 12.555,1117 15.239,1118 9.095,1119 24.999,1120 11.883,1121 2.747,1122 10.099,1123 21.988,1124 4.502,1125 13.672,1126 16.658,1127 9.946,1128 27.425,1129 12.905,1130 2.444,1131 8.762,1132 23.873,1133 3.574,1134 14.842,1135 18.165,1136 10.889,1137 29.877,1138 14.002,1139 2.279,1140 7.471,1141 25.766,1142 3.341,1143 15.989,1144 19.626,1145 11.769,1146 32.324,1147 15.057,1148 2.152,1149 6.845,1150 27.664,1151 3.047,1152 17.157,1153 21.127,1154 12.694,1155 34.781,1156 16.147,1157 1.771,1158 5.633,1159 29.568,1160 2.668,1161 18.318,1162 22.61,1163 13.587,1164 37.238,1165 17.219,1166 11136,1167 18357,1168 19.879,1169 37.966,1170 45.957,1171 48.368,1172 48.892,1173 45.446,1174 45.639,1175 55.601,1176 14.009,1177 134.856,1178 42.982,1179 5.565,1180 5.838,1181 6.543,1182 5.332,1183 5.299,1184 7.502,1185 4.217,1186 18.653,1187 5.024,1188 17.829,1189 1.482,1190 1.56,1191 1.577,1192 1.466,1193 1.472,1194 1.794,1195 0.452,1196 4.35,1197 1.387,1198 4.097,1199 4.103,1200 4.339,1201 4.111,1202 7.433,1203 4.061,1204 3.972,1205 4.029,1206 3.866,1207 3.812,1208 7.426,1209 3.812,1210 3.676,1211 3.714,1212 3.636,1213 3.516,1214 4.968,1215 3.523,1216 3.531,1217 3.545,1218 3.502,1219 3.363,1220 4.528,1221 3.365,1222 3.398,1223 3.436,1224 3.329,1225 3.168,1226 4.514,1227 3.179,1228 3.249,1229 3.315,1230 3.096,1231 2.983,1232 4.496,1233 2.994,1234 3.237,1235 3.303,1236 3.071,1237 2.967,1238 4.357,1239 2.97,1240 3.111,1241 3.206,1242 2.899,1243 2.941,1244 3.962,1245 2.91,1246 0.147,1247 0.124,1248 0.226,1249 0.136,1250 0.106,1251 4.565,1252 0.145,1253 3.838,1254 0.08,1255 6.995,1256 0.384,1257 4.215,1258 0.098,1259 3.299,1260 4.502,1261 2.475,1262 11.899,1263 3.024,1264 1.933,1265 1.903,1266 2.13,1267 2.128,1268 1.538,1269 2.131,1270 1.908,1271 1.874,1272 1.964,1273 1.987,1274 1.175,1275 1.983,1276 1.671,1277 1.644,1278 1.851,1279 1.845,1280 1.139,1281 1.854,1282 1.477,1283 1.449,1284 1.651,1285 1.68,1286 0.884,1287 1.67,1288 1.289,1289 1.243,1290 1.589,1291 1.558,1292 0.825,1293 1.57,1294 1.224,1295 1.176,1296 1.575,1297 1.521,1298 0.649,1299 1.538,1300 1.192,1301 1.116,1302 1.558,1303 1.495,1304 0.592,1305 1.522,1306 1.153,1307 1.064,1308 1.513,1309 1.376,1310 0.579,1311 1.429,1312 4.143,1314 5.476,1315 2.398,1316 6.999,1317 4.727,1318 8.604,1319 6.843,1320 10.256,1322 6.772,1328 5.886,1330 15.521,1332 0.539,1335 0.733,1340 35.421,1341 90.152,1342 188.92,1343 268.772,1344 283.792,1345 294.056,1346 296.056,1347 67.892,1348 7.438,1349 61.83,1350 90.07,1351 17,1352 12.563,1353 3.7,1354 3,1355 52.919,1356 136,1357 134,1358 0.19,1359 221.428,1360 389.22,1361 532.043,1362 17430,1364 21.018,1365 0.725,1366 0.639,1367 21.372,1368 18.525,1369 13.869,1370 0.447,1371 0.353,1372 9.995,1373 12.683,1374 9.568,1375 7.983,1376 14.277,1377 10.945,1378 12.586,1379 0.286,1380 0.214,1381 13.228,1382 9.408,1383 10.49,1384 0.187,1385 0.131,1386 11.327,1387 7.327,1388 8.051,1389 0.115,1390 0.075,1391 8.923,1392 5.263,1393 6.628,1394 0.075,1395 0.046,1396 7.439,1397 4.091,1398 0.309,1399 92.576,1400 0.224,1401 28.055,1402 0.495,1403 150,1404 455.871,1405 191.129,1406 439.919,1407 583.35,1408 412,1409 175,1410 389.624,1411 214.95,1412 410.934,1413 595.15,1414 380,1415 7.268}
{0 CHEMBL314800,1 1.437,2 6.895,3 3.512,4 12.333,5 80.905,6 8.528,7 0.773,8 3.562,9 3.661,10 3.328,11 3.312,12 4.673,13 3.246,14 4.04,15 4.156,16 3.717,17 3.734,18 5.085,19 3.641,20 4.273,21 4.428,22 3.895,23 3.853,24 5.313,25 3.754,26 4.302,27 4.482,28 3.74,29 3.795,30 5.337,31 3.656,32 4.229,33 4.443,34 3.481,35 3.644,36 5.202,37 3.484,38 4.011,39 4.235,40 3.094,41 3.404,42 4.905,43 3.229,44 3.787,45 4.024,46 2.62,47 3.103,48 4.665,49 2.92,50 3.545,51 3.85,52 1.914,53 2.654,54 4.246,55 2.401,56 0.029,57 0.399,58 5.349,59 2.547,60 6.283,61 3.156,62 0.037,63 0.656,64 11.3,65 4.983,66 6.066,67 5.938,68 0.083,69 0.881,70 14.302,71 5.992,72 10.664,73 7.483,74 0.121,75 0.956,76 17.686,77 6.973,78 17.69,79 8.025,80 0.144,81 0.918,82 17.809,83 6.543,84 20.54,85 7.374,86 0.077,87 0.68,88 14.738,89 5.813,90 13.166,91 7.089,92 0.051,93 0.52,94 9.967,95 4.275,96 11.764,97 5.679,98 0.046,99 0.411,100 8.772,101 3.722,102 10.501,103 5.188,104 2,105 32,106 0.266,107 0.606,108 0.701,109 0.844,110 0.892,111 0.892,112 3.014,113 0.985,114 -4.5,115 -4.43,116 -4.17,121 51.6,127 1,144 8,145 3,146 2,148 2,165 1,166 1,167 1,176 10,180 3,185 1,187 11,189 1,192 5,197 2,200 8,203 2,206 3,208 1,209 1,211 3,214 5,216 3,219 1,224 3,227 9,229 3,237 2,239 10,241 2,249 1,251 8,253 1,264 4,277 1,281 336,282 13.276,283 13.276,284 13.276,285 13.276,286 13.276,287 11.247,288 6.824,289 7.761,290 13.501,291 10.871,292 10.871,293 10.871,294 10.871,295 10.871,296 7.833,297 5.333,298 3.668,299 11.268,300 3.517,301 1.677,302 1.161,303 0.387,304 0.129,305 0.129,306 3.718,310 1,311 1,312 1,313 297,314 1.871,318 105.649,322 129.645,325 0.975,326 9.33,329 1,330 0.83,331 1,332 0.6,334 1,335 1,336 0.78,337 39,338 131,339 4.685,340 4.496,341 6.911,342 4.253,343 3.291,344 4.592,345 3.272,346 11.587,347 3.169,348 4.265,349 3.184,350 6.404,351 3.849,352 2.858,353 3.942,355 9.769,356 2.832,357 3.743,358 2.936,359 5.779,360 3.284,361 2.328,362 3.244,364 7.672,365 2.218,366 3.419,367 2.662,368 5.254,369 2.983,370 2.024,371 2.796,373 6.209,374 1.935,375 2.949,376 2.026,377 4.523,378 2.546,379 1.601,380 2.144,382 4.307,383 1.508,384 2.921,385 1.616,386 3.788,387 2.427,388 1.437,389 2.092,391 3.105,392 1.422,393 2.803,394 1.43,395 3.689,396 2.339,397 1.362,398 1.929,400 3.022,401 1.319,402 2.387,403 1.376,404 3.585,405 1.899,406 0.918,407 1.335,409 2.318,410 0.899,411 2.074,412 1.007,413 3.435,414 1.719,415 0.836,416 1.004,418 1.98,419 0.719,420 1.364,421 0.929,422 2.913,423 0.965,424 0.043,425 0.053,427 0.11,428 0.039,429 1.08,430 -0.012,431 2.679,432 0.634,433 -0.312,434 -0.416,436 -0.815,437 -0.29,438 0.79,439 -0.214,440 2.329,441 0.394,442 -0.55,443 -0.691,445 -1.336,446 -0.516,447 0.628,448 -0.718,449 2.092,450 0.175,451 -0.811,452 -1.145,454 -1.979,455 -0.796,456 0.545,457 -0.782,458 2,459 0.066,460 -0.92,461 -1.337,463 -2.228,464 -0.907,465 0.185,466 -0.902,467 2,468 -0.258,469 -1.221,470 -1.678,472 -3.551,473 -1.142,474 9.633,475 0.507,476 0.415,477 0.022,478 28.75,479 1.513,480 17,481 0.895,482 11.75,483 0.618,484 12.156,485 0.64,486 17.967,487 0.58,488 16.956,489 0.892,490 5.369,491 0.283,492 3.974,493 0.209,494 0.042,496 0.363,501 1.013,502 0.777,503 0.702,504 0.663,505 1.188,506 0.685,507 0.778,508 1.031,509 1.006,510 1.002,511 0.712,512 0.878,513 0.852,514 1.165,515 0.792,516 0.953,517 0.813,518 0.9,519 1.253,520 1.178,521 1.239,522 1.169,523 1.066,524 1.085,525 1.814,526 0.937,527 1.318,528 1.048,529 1.571,530 1.034,531 0.949,532 0.981,533 1.21,534 1.149,535 0.965,536 1.111,537 0.787,538 1.039,539 0.971,540 1.1,541 1.063,542 1.256,543 0.492,544 0.852,545 0.692,546 0.882,547 0.812,548 1.107,549 2.5,551 2.444,552 1.438,553 1.524,554 0.583,555 0.223,556 0.083,557 0.032,559 3150,560 7544,561 2.239,562 38.7,564 10,567 2,572 1.609,573 2.151,574 2.809,575 0.29,577 1,579 1,582 44.561,583 1.437,584 3.277,585 3.793,586 4.567,587 4.825,588 4.825,589 2.234,590 4.143,591 4.225,592 2.846,593 486.612,594 7.223,595 4507.06,596 1,597 1,598 1,599 1,600 153.58,601 1.211,602 4.203,603 0.114,605 0.076,606 0.041,607 0.053,608 0.027,609 0.014,610 0.008,611 0.008,613 0.341,614 0.67,615 1,616 0.447,617 79.208,618 -0.124,619 0.163,620 0.051,621 0.138,622 -0.233,623 0.105,624 0.009,625 -0.104,626 -0.047,627 -0.064,628 -0.033,629 -0.017,630 0.181,631 -0.192,632 0.136,633 -0.037,634 0.092,635 -0.013,636 0.004,637 -0.132,638 -0.132,639 -0.149,640 0.06,641 -0.162,642 -0.409,643 0.153,644 -0.201,645 -0.015,646 -0.266,647 -0.077,648 -0.115,649 -0.038,650 -0.164,651 -0.114,652 -0.006,653 -0.081,654 -0.098,655 -0.159,656 -0.181,657 -0.205,658 -0.128,659 -0.234,660 0.103,661 0.007,662 0.109,663 0.061,664 -0.01,665 0.042,666 0.805,667 2.336,668 0.947,669 10.089,670 0.99,671 1.097,672 3.274,673 10.718,674 0.757,675 3.135,676 3.497,677 3.871,678 4.205,679 4.522,680 4.635,681 4.812,682 4.956,683 5.069,684 4.949,685 4.105,686 0.705,687 264.37,688 3.135,689 4.691,690 5.587,691 6.497,692 7.409,693 8.327,694 9.244,695 10.165,696 11.085,697 12.007,698 6.5,702 1,708 1,714 2,715 8,716 1,720 5,722 17,733 1,741 31,743 17,744 2,745 22,747 34,748 16,749 15,750 4,751 8,756 4,757 10,772 15,773 1,789 1,790 1,793 12,794 2,795 2,796 3,797 1,802 2,808 0.25,822 1,829 4,833 3,859 1,860 1,862 1,868 19,869 1,876 1,879 1,901 8.833,902 5.617,903 4.083,904 1.808,907 3.639,908 1.497,909 1.099,910 2.374,911 10.963,912 3.45,913 4.143,914 4.846,915 5.512,916 6.167,917 6.548,918 7.05,919 7.523,920 7.966,921 8.155,922 0.8,923 35,924 7.003,926 3.071,927 0.026,929 7.5,931 13.711,933 11.88,936 2,937 38,938 0.002,941 117.711,942 127.082,943 49.683,947 32.22,948 94.862,949 117.711,950 49.683,952 0.9,953 108.707,954 16.786,955 18.152,957 149.931,959 117.711,960 144.545,962 32.22,964 117.711,968 5.801,969 121.959,970 16.786,971 32.22,972 117.711,973 49.683,974 127.082,977 117.711,978 51.272,979 75.81,981 49.683,982 117.711,983 49.683,984 127.082,986 0.587,987 0.366,988 0.214,989 0.121,990 19,991 7,994 3,995 1.333,996 3.126,997 156.936,998 0.333,999 18,1000 80.711,1001 1,1005 11.034,1006 4.088,1007 1.591,1008 2.018,1009 49.683,1010 16.512,1011 4.817,1015 5.566,1017 32.897,1018 294.475,1019 30.5,1031 30.698,1032 33.993,1034 0.29,1035 0.661,1036 0.766,1037 0.922,1038 0.974,1039 0.974,1040 4.684,1041 0.918,1042 5.58,1043 3.022,1044 4.174,1045 4.828,1046 3.11,1047 6.46,1048 4.104,1049 5.92,1050 0.836,1051 7.175,1052 2.318,1053 3.761,1054 4.691,1056 7.483,1057 3.674,1058 7.254,1059 0.043,1060 8.878,1061 1.98,1062 5.82,1063 7.154,1064 5.44,1065 10.656,1066 5.693,1067 8.631,1068 -0.312,1069 10.644,1070 0.11,1071 6.275,1072 7.88,1074 12.511,1075 6.122,1076 10.042,1077 -0.55,1078 12.451,1079 -0.815,1080 7.785,1081 9.788,1082 7.807,1083 15.2,1084 7.601,1085 11.479,1086 -0.811,1087 14.284,1088 -1.336,1089 8.641,1090 10.923,1092 17.384,1093 8.423,1094 12.936,1095 -0.92,1096 16.135,1097 -1.979,1098 9.936,1099 12.599,1100 10.177,1101 19.91,1102 9.689,1103 3.291,1104 -1.221,1105 17.999,1106 -2.228,1107 10.972,1108 13.931,1110 22.234,1111 10.686,1112 2.858,1113 11.587,1114 19.874,1115 -3.551,1116 12.186,1117 15.509,1118 12.548,1119 24.702,1120 11.868,1121 2.328,1122 9.769,1123 21.756,1124 4.592,1125 13.301,1126 16.935,1128 27.088,1129 12.943,1130 2.024,1131 7.672,1132 23.644,1133 3.942,1134 14.487,1135 18.473,1136 14.919,1137 29.536,1138 14.095,1139 1.601,1140 6.209,1141 25.538,1142 3.244,1143 15.637,1144 19.945,1146 31.951,1147 15.204,1148 1.437,1149 4.307,1150 27.436,1151 2.796,1152 16.816,1153 21.467,1154 17.29,1155 34.393,1156 16.346,1157 1.362,1158 3.105,1159 29.338,1160 2.144,1161 17.983,1162 22.962,1164 36.822,1165 17.472,1166 2941,1167 4642,1168 15.315,1169 23.466,1170 33.539,1171 36.981,1172 34.382,1173 33.35,1174 33.395,1175 46.267,1176 6.545,1177 100.158,1178 32.117,1179 5.567,1180 6.496,1181 6.595,1182 5.393,1183 5.291,1184 7.592,1185 6.545,1186 19.266,1187 5.169,1188 4.803,1189 1.525,1190 1.681,1191 1.563,1192 1.516,1193 1.518,1194 2.103,1195 0.297,1196 4.553,1197 1.46,1198 4.113,1199 4.135,1200 4.178,1201 4.071,1202 5.149,1203 4.061,1204 3.875,1205 3.9,1206 3.844,1207 3.833,1208 4.814,1209 3.823,1210 3.444,1211 3.483,1212 3.584,1213 3.409,1214 4.686,1215 3.368,1216 3.141,1217 3.206,1218 3.176,1219 3.062,1220 4.286,1221 3.015,1222 3.079,1223 3.153,1224 2.993,1225 2.916,1226 3.844,1227 2.923,1228 2.826,1229 2.89,1230 2.705,1231 2.723,1232 3.682,1233 2.71,1234 2.691,1235 2.797,1236 2.625,1237 2.519,1238 3.589,1239 2.471,1240 2.492,1241 2.569,1242 2.461,1243 2.365,1244 3.229,1245 2.334,1246 0.213,1247 0.204,1248 0.314,1249 0.193,1250 0.15,1251 4.685,1252 0.209,1253 4.496,1254 0.149,1255 6.911,1256 0.527,1257 4.253,1258 0.144,1259 3.291,1260 4.592,1261 3.272,1262 11.587,1263 3.169,1264 2.072,1265 2.054,1266 2.12,1267 2.139,1268 1.301,1269 2.142,1270 1.884,1271 1.86,1272 1.991,1273 1.949,1274 1.122,1275 1.968,1276 1.434,1277 1.406,1278 1.541,1279 1.552,1280 0.701,1281 1.57,1282 1.149,1283 1.096,1284 1.385,1285 1.32,1286 0.558,1287 1.365,1288 1.032,1289 0.974,1290 1.235,1291 1.256,1292 0.26,1293 1.257,1294 0.844,1295 0.789,1296 1.114,1297 1.019,1298 0.171,1299 1.057,1300 0.656,1301 0.556,1302 1.017,1303 0.952,1305 0.986,1306 0.521,1307 0.448,1308 0.834,1309 0.713,1311 0.761,1312 3.807,1314 5.153,1316 6.737,1318 8.43,1320 10.177,1326 6.336,1328 0.966,1331 1.785,1340 21.864,1341 44.561,1342 101.58,1343 117.58,1344 141.58,1345 149.58,1346 149.58,1347 19.387,1348 7.324,1349 38.91,1350 64.21,1351 24,1352 12.515,1353 4.17,1354 3.248,1355 24.211,1356 48,1357 40,1358 0.267,1359 135.975,1360 222.61,1361 323.538,1362 13896,1364 12.82,1365 0.675,1366 0.583,1367 13.173,1368 11.075,1369 9.343,1370 0.425,1371 0.328,1372 6.299,1373 8.803,1374 6.05,1375 4.991,1376 9.797,1377 7.223,1378 8.417,1379 0.263,1380 0.177,1381 8.941,1382 5.652,1383 7.832,1384 0.167,1385 0.1,1386 8.605,1387 4.688,1388 6.987,1389 0.106,1390 0.056,1391 7.831,1392 3.685,1393 6.065,1394 0.067,1395 0.032,1396 6.982,1397 2.869,1398 0.39,1399 61.298,1400 0.256,1401 18.262,1402 0.822,1403 108,1404 245.818,1405 133.363,1406 272.558,1407 390.69,1408 258,1409 133,1410 287.719,1411 158.933,1412 310.362,1413 463.4,1414 294,1415 4.731}
{0 CHEMBL314989,1 1.327,2 12.448,3 3.215,4 10.336,5 114.913,6 6.469,7 0.375,8 4.181,9 4.302,10 3.638,11 3.712,12 5.135,13 3.664,14 4.792,15 4.983,16 4.002,17 4.16,18 5.628,19 4.089,20 5.096,21 5.304,22 4.099,23 4.385,24 5.943,25 4.26,26 5.289,27 5.56,28 4.003,29 4.404,30 6.047,31 4.235,32 5.231,33 5.5,34 3.969,35 4.338,36 6.019,37 4.18,38 5.152,39 5.408,40 3.844,41 4.292,42 5.975,43 4.114,44 5.106,45 5.395,46 3.634,47 4.148,48 5.849,49 3.948,50 4.862,51 5.136,52 3.536,53 3.954,54 5.614,55 3.778,56 0.049,57 0.821,58 14.597,59 6.3,60 9.788,61 8.564,62 0.259,63 1.41,64 27.789,65 10.517,66 20.271,67 14.669,68 0.333,69 1.846,70 37.312,71 15.069,72 30.397,73 21.04,74 0.362,75 2.075,76 45.613,77 17.47,78 48.474,79 24.904,80 0.51,81 1.932,82 43.452,83 16.198,84 52.076,85 22.991,86 0.426,87 1.82,88 39.788,89 15.474,90 51.462,91 21.899,92 0.429,93 1.672,94 38.268,95 14.181,96 50.2,97 20.37,98 0.233,99 1.328,100 29.667,101 11.415,102 31.123,103 16.228,104 21,105 46,106 0.216,107 0.511,108 0.74,109 0.802,110 0.814,111 0.82,112 3.408,113 1.016,114 -1.27,115 -1.36,116 -1.42,121 41,123 4,124 2,126 3,127 3,144 7,145 3,146 2,159 1,176 15,180 4,187 17,189 3,191 1,192 8,200 12,203 3,206 5,214 8,216 3,218 1,219 5,227 11,229 2,231 1,232 2,239 11,241 1,244 2,246 1,251 7,253 2,256 4,264 6,266 2,269 1,277 7,281 1308,282 19.687,283 19.687,284 19.687,285 19.687,286 19.687,287 18.145,288 24.793,289 11.371,290 20.145,291 15.66,292 15.66,293 15.66,294 15.66,295 15.66,296 13.178,297 29.47,298 5.248,299 16.202,300 4.604,301 2.789,302 1.38,303 1,304 0.922,305 0.89,306 4.103,311 1,312 1,313 782,314 3.317,317 67.514,318 286.38,321 128.336,325 1.981,326 21.948,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 61.5,338 361,339 4.528,340 3.794,341 6.998,342 4.238,343 3.305,344 4.173,345 1.277,346 11.916,347 3.24,348 4.326,349 3.679,350 6.723,351 4.207,352 3.219,353 3.532,354 1.26,355 10.926,356 3.032,357 4.017,358 3.184,359 6.107,360 3.702,361 2.745,362 3.385,363 0.86,364 8.882,365 2.623,366 3.807,367 2.61,368 5.561,369 3.453,370 2.459,371 3.16,372 0.86,373 7.339,374 2.44,375 3.457,376 2.56,377 5.307,378 3.326,379 2.34,380 2.572,381 0.245,382 6.78,383 2.298,384 3.255,385 2.429,386 5.177,387 2.931,388 1.931,389 2.404,391 6.07,392 1.923,393 3.012,394 2.196,395 4.877,396 2.762,397 1.788,398 2.109,400 5.392,401 1.743,402 2.869,403 1.846,404 4.25,405 2.436,406 1.438,407 2.013,409 3.526,410 1.434,411 2.528,412 1.531,413 3.802,414 2.278,415 1.34,416 1.5,418 3.072,419 1.239,420 2.5,421 1.287,422 3.709,423 2,424 1,425 1.489,427 2.372,428 1,429 2,430 1.077,431 3.352,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.912,439 1.013,440 3.247,441 1.569,442 0.603,443 0.735,445 1.31,446 0.572,447 1.489,448 1,449 3.217,450 1.3,451 0.38,452 0.412,454 0.762,455 0.335,456 1.378,457 0.523,458 2.913,459 1.207,460 0.305,461 0.321,463 0.488,464 0.282,465 1.131,466 0.425,467 2.746,468 0.891,469 -0.087,470 -0.1,472 -0.219,473 -0.085,474 13.9,475 0.479,476 0.749,477 0.026,478 32.75,479 1.129,480 14.5,481 0.5,482 18.25,483 0.629,484 29.551,485 1.019,486 32.6,487 0.534,488 23.472,489 0.809,490 6.228,491 0.215,492 7.782,493 0.268,494 0.132,495 0.029,496 0.288,501 0.783,502 1.38,503 0.907,504 1.222,505 0.58,506 1.098,507 1.231,508 0.916,509 0.991,510 0.866,511 0.678,512 0.881,513 0.761,514 1.235,515 1.087,516 1.231,517 0.812,518 1.199,519 0.834,520 1.036,521 0.959,522 1.033,523 1.041,524 1.013,525 0.964,526 0.923,527 0.956,528 0.931,529 0.932,530 0.94,531 0.825,532 1.103,533 1.084,534 1.124,535 1.16,536 1.135,537 0.939,538 0.93,539 1.007,540 0.944,541 1.401,542 0.98,543 0.83,544 1.05,545 0.947,546 1.046,547 1.065,548 1.019,549 7,550 0.225,551 3.333,552 2.514,553 1.929,554 1.122,555 0.701,556 0.392,557 0.326,558 0.157,559 11521,560 24058,561 2.082,562 52.5,563 5,564 22,568 1,569 4,572 1.715,573 1.944,574 3.596,575 -0.853,577 1,582 80.924,583 1.327,584 3.141,585 4.551,586 4.93,587 5.008,588 5.041,589 3.086,590 4.444,591 4.828,592 3.767,593 1529.23,594 8.386,595 21049.8,597 1,600 361.775,601 1.548,602 4.781,603 0.219,604 0.01,605 0.072,606 0.053,607 0.047,608 0.028,609 0.021,610 0.015,611 0.013,612 0.007,613 0.484,614 0.5,615 1,616 0.828,617 148.865,618 0.029,619 -0.165,620 0.079,621 -0.071,622 0.03,623 -0.004,624 -0.137,625 0.224,626 0.026,627 0.169,628 0.005,629 0.129,630 0.064,631 -0.165,632 -0.116,633 -0.181,634 0.049,635 -0.17,636 -0.005,637 -0.067,638 0.006,639 -0.054,640 -0.01,641 -0.027,642 0.033,643 0.041,644 0.028,645 0.037,646 0.031,647 0.034,648 0.034,649 -0.123,650 -0.118,651 -0.129,652 -0.012,653 -0.14,654 -0.023,655 0.007,656 -0.036,657 0.006,658 -0.111,659 -0.015,660 0.009,661 -0.102,662 0.015,663 -0.069,664 -0.041,665 -0.033,666 1.381,667 6.006,668 0.724,669 30.666,670 0.988,671 1.124,672 0.04,673 0.002,674 0.642,675 3.497,676 3.85,677 4.127,678 4.394,679 4.644,680 4.7,681 4.852,682 4.977,683 4.984,684 5.063,685 7.261,686 0.596,687 394.58,688 3.497,689 5.056,690 5.916,691 6.812,692 7.691,693 8.592,694 9.479,695 10.381,696 11.273,697 12.177,698 1.6,712 1,715 7,720 5,722 12,727 1,739 2,741 61,743 13,744 2,745 32,747 64,748 25,749 12,750 5,751 7,752 1,756 4,757 5,767 3,768 2,770 4,772 13,773 12,774 2,777 1,782 1,786 1,790 1,793 32,794 3,796 4,802 1,803 1,807 1,808 0.75,809 3,828 1,829 3,832 1,859 3,864 3,868 29,876 7,878 2,880 2,883 1,893 4.9,896 1,898 2,901 14.917,902 11.75,903 6.403,904 3.882,907 2.087,908 1.268,909 0.944,910 5.87,911 9.874,912 3.689,913 4.234,914 4.745,915 5.239,916 5.733,917 5.856,918 6.087,919 6.242,920 6.221,921 6.29,922 1,923 47,924 10.811,926 4.601,927 0.026,929 7.523,931 21.43,933 18.345,936 2.023,937 58.667,940 1,941 376.675,942 138.129,945 47.145,948 138.129,949 423.82,951 30.162,952 16.455,953 66.334,954 30.278,955 42.043,957 376.675,959 376.675,960 138.129,961 47.145,964 329.591,965 94.229,968 16.455,969 121.673,972 376.675,973 47.145,974 138.129,977 376.675,978 41.632,979 96.496,981 47.145,982 376.675,983 47.145,984 138.129,986 0.584,987 0.349,988 0.188,989 0.106,990 23,991 10,992 0.094,993 6,994 1,995 1.095,996 4.07,997 255.771,998 0.095,999 21,1000 132.881,1005 20.28,1006 8.394,1007 4.302,1009 47.145,1010 14.645,1015 4.71,1018 561.948,1019 39,1024 13.006,1028 0.285,1031 60.28,1032 68.562,1034 0.224,1035 0.53,1036 0.767,1037 0.831,1038 0.844,1039 0.85,1040 4.963,1041 1.438,1042 5.938,1043 5.392,1044 4.533,1045 4.92,1046 2.271,1047 6.799,1048 4.476,1049 6.16,1050 1.34,1051 7.533,1052 3.526,1053 4.29,1054 4.758,1055 0.931,1056 7.978,1057 4.179,1058 7.479,1059 1,1060 9.234,1061 3.072,1062 6.225,1063 7.024,1064 2.428,1065 10.997,1066 6.105,1067 8.83,1068 1,1069 10.999,1070 2.372,1071 6.792,1072 7.638,1073 1.381,1074 12.973,1075 6.607,1076 10.213,1077 0.603,1078 12.803,1079 2.136,1080 8.23,1081 9.43,1082 2.737,1083 15.577,1084 8.036,1085 11.617,1086 0.38,1087 14.636,1088 1.31,1089 9.145,1090 10.404,1091 1.783,1092 17.85,1093 8.891,1094 13.037,1095 0.305,1096 16.488,1097 0.762,1098 10.407,1099 12.001,1100 3.126,1101 20.34,1102 10.136,1103 3.305,1104 -0.087,1105 18.356,1106 0.488,1107 11.472,1108 13.166,1109 2.192,1110 22.724,1111 11.152,1112 3.219,1113 11.916,1114 20.235,1115 -0.219,1116 12.674,1117 14.671,1118 3.559,1119 25.183,1120 12.33,1121 2.745,1122 10.926,1123 22.123,1124 4.173,1125 13.803,1126 15.943,1127 2.615,1128 27.61,1129 13.419,1130 2.459,1131 8.882,1132 24.019,1133 3.532,1134 14.986,1135 17.403,1136 4.015,1137 30.064,1138 14.576,1139 2.34,1140 7.339,1141 25.921,1142 3.385,1143 16.143,1144 18.738,1145 3.05,1146 32.509,1147 15.699,1148 1.931,1149 6.78,1150 27.828,1151 3.16,1152 17.321,1153 20.176,1154 4.483,1155 34.964,1156 16.851,1157 1.788,1158 6.07,1159 29.739,1160 2.572,1161 18.492,1162 21.548,1163 3.495,1164 37.418,1165 17.992,1166 10952,1167 15964,1168 21.266,1169 39.171,1170 48.031,1171 49.421,1172 49.983,1173 47.661,1174 47.704,1175 57.609,1176 9.005,1177 141.939,1178 46.287,1179 5.528,1180 5.794,1181 6.8,1182 5.274,1183 5.305,1184 7.173,1185 2.555,1186 19.012,1187 5.24,1188 14.143,1189 1.501,1190 1.544,1191 1.562,1192 1.489,1193 1.491,1194 1.8,1195 0.281,1196 4.436,1197 1.446,1198 4.075,1199 4.112,1200 4.015,1201 3.989,1202 7.426,1203 3.992,1204 3.977,1205 4.012,1206 3.899,1207 3.878,1208 4.915,1209 3.876,1210 3.829,1211 3.871,1212 3.729,1213 3.728,1214 4.756,1215 3.722,1216 3.593,1217 3.632,1218 3.502,1219 3.427,1220 4.495,1221 3.437,1222 3.377,1223 3.437,1224 3.235,1225 3.186,1226 4.378,1227 3.189,1228 3.25,1229 3.315,1230 3.063,1231 2.963,1232 4.292,1233 2.973,1234 3.111,1235 3.206,1236 2.902,1237 2.941,1238 3.944,1239 2.91,1240 3.11,1241 3.195,1242 2.866,1243 2.896,1244 3.675,1245 2.885,1246 0.142,1247 0.119,1248 0.219,1249 0.132,1250 0.103,1251 4.528,1252 0.13,1253 3.794,1254 0.04,1255 6.998,1256 0.372,1257 4.238,1258 0.101,1259 3.305,1260 4.173,1261 1.277,1262 11.916,1263 3.24,1264 1.973,1265 1.926,1266 2.145,1267 2.139,1268 1.548,1269 2.146,1270 1.881,1271 1.872,1272 2.016,1273 1.978,1274 1.266,1275 1.979,1276 1.856,1277 1.816,1278 1.957,1279 1.956,1280 1.147,1281 1.967,1282 1.622,1283 1.57,1284 1.826,1285 1.799,1286 1.064,1287 1.812,1288 1.332,1289 1.263,1290 1.616,1291 1.545,1292 0.86,1293 1.571,1294 1.232,1295 1.184,1296 1.574,1297 1.521,1298 0.825,1299 1.537,1300 1.186,1301 1.107,1302 1.561,1303 1.513,1304 0.592,1305 1.527,1306 1.153,1307 1.064,1308 1.513,1309 1.376,1310 0.575,1311 1.429,1312 4.174,1314 5.517,1315 2.398,1316 7.059,1317 4.844,1318 8.685,1319 7.018,1320 10.355,1322 5.636,1328 7.724,1330 10.803,1332 0.752,1335 1.105,1340 36.331,1341 80.924,1342 191.621,1343 277.594,1344 300.755,1345 305.51,1346 307.51,1347 53.335,1348 7.787,1349 35.53,1350 35.53,1351 23,1352 12.699,1353 3.807,1354 3,1355 44.983,1356 128,1357 123,1358 0.173,1359 220.76,1360 390.03,1361 530.415,1362 26575,1364 20.433,1365 0.705,1366 0.616,1367 20.433,1368 17.871,1369 14.009,1370 0.438,1371 0.339,1372 10.692,1373 13.506,1374 10.341,1375 8.613,1376 14.009,1377 10.842,1378 12.785,1379 0.278,1380 0.202,1381 12.785,1382 9.282,1383 10.98,1384 0.18,1385 0.117,1386 10.98,1387 7.116,1388 9,1389 0.113,1390 0.067,1391 9,1392 5.366,1393 7.561,1394 0.073,1395 0.041,1396 7.561,1397 4.253,1398 0.277,1399 87.644,1400 0.217,1401 27.817,1402 0.462,1403 156,1404 369.539,1405 166.303,1406 352.373,1407 482.41,1408 332,1409 185,1410 348.699,1411 197.246,1412 358.949,1413 521.58,1414 334,1415 7.301}
{0 CHEMBL315013,1 1.465,2 13.938,3 3.213,4 10.322,5 128.3,6 7.104,7 0.457,8 4.237,9 4.346,10 3.8,11 3.795,12 5.253,13 3.739,14 4.82,15 4.995,16 4.189,17 4.232,18 5.735,19 4.15,20 5.112,21 5.302,22 4.282,23 4.431,24 6.045,25 4.305,26 5.3,27 5.549,28 4.211,29 4.447,30 6.206,31 4.287,32 5.252,33 5.511,34 4.167,35 4.37,36 6.122,37 4.214,38 5.131,39 5.368,40 4.052,41 4.33,42 6.046,43 4.157,44 5.083,45 5.331,46 3.893,47 4.22,48 6.014,49 4.02,50 4.88,51 5.13,52 3.799,53 4.02,54 5.793,55 3.875,56 0.04,57 0.86,58 15.092,59 6.791,60 12.356,61 8.579,62 0.274,63 1.473,64 29.771,65 11.437,66 24.983,67 14.564,68 0.402,69 1.9,70 41.583,71 16.091,72 45.5,73 20.607,74 0.522,75 2.159,76 51.989,77 18.917,78 79.361,79 24.962,80 0.575,81 2.019,82 50.161,83 17.583,84 65.785,85 23.222,86 0.351,87 1.864,88 45.271,89 16.737,90 55.172,91 21.388,92 0.622,93 1.729,94 45.334,95 16.17,96 77.537,97 20.574,98 0.284,99 1.406,100 35.187,101 12.462,102 43.357,103 16.321,104 30,105 50,106 0.235,107 0.555,108 0.758,109 0.813,110 0.825,111 0.83,112 3.502,113 1.04,114 -0.61,115 -0.73,116 -0.86,121 40.6,123 3,124 1,126 3,127 3,129 1,144 8,145 2,146 2,154 2,159 1,176 10,180 3,185 2,187 13,189 3,191 1,192 5,197 2,200 10,203 3,206 5,209 1,214 3,216 2,219 6,224 2,226 1,227 9,229 2,237 1,239 11,243 2,244 2,246 1,249 3,251 9,261 2,264 7,266 2,269 3,272 2,274 2,277 2,279 1,281 1778,282 21.549,283 21.549,284 21.549,285 21.549,286 21.549,287 19.597,288 22.181,289 12.446,290 22.197,291 17.131,292 17.131,293 17.131,294 17.131,295 17.131,296 14.023,297 25.013,298 5.749,299 18.038,300 4.535,301 2.532,302 1.266,303 0.922,304 0.848,305 0.817,306 4.194,311 1,312 1,313 963,314 4.062,317 79.951,318 341.563,321 151.964,325 2.258,326 30.755,329 1,330 0.83,331 1,332 0.9,333 1,334 1,335 1,336 0.96,337 68.5,338 446,339 4.565,340 3.682,341 6.999,342 4.226,343 3.308,344 4.502,345 1.277,346 11.919,347 3.047,348 4.33,349 3.628,350 6.44,351 4.07,352 3.123,353 3.577,354 1.26,355 10.109,356 2.954,357 4.094,358 3.242,359 6.119,360 3.793,361 2.82,362 3.532,363 0.86,364 8.92,365 2.741,366 3.836,367 2.847,368 5.978,369 3.599,370 2.649,371 3.17,372 0.86,373 8.446,374 2.523,375 3.763,376 2.701,377 5.682,378 3.395,379 2.406,380 3.068,381 0.245,382 7.372,383 2.368,384 3.572,385 2.576,386 5.295,387 3.255,388 2.274,389 2.657,391 6.78,392 2.203,393 3.178,394 2.215,395 4.717,396 2.698,397 1.771,398 2.471,400 5.118,401 1.628,402 2.877,403 1.67,404 4.369,405 2.474,406 1.504,407 2.031,409 4.142,410 1.459,411 2.711,412 1.635,413 3.943,414 2.396,415 1.415,416 1.723,418 3.073,419 1.372,420 2.5,421 1.514,422 3.81,423 2,424 1.136,425 1.5,427 2.841,428 1,429 2.399,430 1.427,431 3.802,432 2,433 1,434 1.376,436 2.52,437 0.983,438 2.295,439 1.077,440 3.653,441 1.984,442 1,443 1.212,445 2.372,446 0.973,447 2,448 1.003,449 3.264,450 1.938,451 0.978,452 1,454 2.136,455 0.905,456 1.554,457 1,458 3.247,459 1.211,460 0.364,461 0.396,463 0.491,464 0.305,465 1.485,466 0.565,467 2.887,468 1.122,469 0.241,470 0.311,472 0.458,473 0.209,474 15.567,475 0.486,476 0.855,477 0.027,478 36.5,479 1.141,480 16.5,481 0.516,482 20,483 0.625,484 33.54,485 1.048,486 35.733,487 0.558,488 27.431,489 0.857,490 7.021,491 0.219,492 8.382,493 0.262,494 0.139,495 0.026,496 0.289,501 0.838,502 1.271,503 0.821,504 1.067,505 0.733,506 1.022,507 1.177,508 0.872,509 0.9,510 0.799,511 0.739,512 0.835,513 0.897,514 1.174,515 1.063,516 1.158,517 0.982,518 1.148,519 0.824,520 1.044,521 0.94,522 1.036,523 0.899,524 1.013,525 0.983,526 0.896,527 0.856,528 0.89,529 1.038,530 0.899,531 0.923,532 1.077,533 1.167,534 1.149,535 1.347,536 1.091,537 0.785,538 1.05,539 1.251,540 1.181,541 1.216,542 1.092,543 0.935,544 1.033,545 0.993,546 1.061,547 1.007,548 0.948,549 8,550 0.253,551 4,552 2.417,553 2.294,554 1.126,555 0.818,556 0.539,557 0.351,558 0.24,559 15562,560 36404,561 2.056,562 50,564 24,567 1,568 2,569 5,572 1.74,573 1.91,574 3.76,575 -0.403,582 93.789,583 1.465,584 3.468,585 4.734,586 5.078,587 5.152,588 5.183,589 3.257,590 4.015,591 4.971,592 3.94,593 1954.23,594 8.667,595 29614.8,597 1,600 384,601 1.574,602 4.918,603 0.229,604 0.009,605 0.08,606 0.047,607 0.05,608 0.026,609 0.021,610 0.017,611 0.011,612 0.008,613 0.498,614 0.33,615 1,616 0.825,617 171.003,618 -0.019,619 -0.111,620 0.073,621 -0.005,622 -0.045,623 0.014,624 -0.143,625 0.248,626 0.073,627 0.211,628 -0.019,629 0.15,630 0.017,631 -0.12,632 -0.076,633 -0.125,634 -0.018,635 -0.143,636 0.064,637 -0.074,638 0.03,639 -0.061,640 0.098,641 -0.025,642 0.009,643 0.058,644 0.107,645 0.059,646 -0.012,647 0.074,648 -0.057,649 -0.074,650 -0.091,651 -0.096,652 -0.09,653 -0.086,654 0.142,655 -0.074,656 -0.105,657 -0.102,658 0.028,659 -0.087,660 0.009,661 -0.072,662 0.037,663 -0.054,664 0.061,665 0.045,666 1.928,667 5.929,668 0.656,669 37.48,670 0.995,671 1.12,672 -0.621,673 0.386,674 0.661,675 3.584,676 3.932,677 4.19,678 4.431,679 4.663,680 4.736,681 4.812,682 4.956,683 4.898,684 4.883,685 8.118,686 0.613,687 454.66,688 3.584,689 5.142,690 5.994,691 6.882,692 7.752,693 8.644,694 9.52,695 10.414,696 11.294,697 12.189,698 1.6,712 1,714 2,715 8,719 1,720 4,722 16,727 1,739 2,741 64,743 17,744 2,745 35,747 67,748 26,749 14,750 5,751 7,752 1,756 4,757 5,767 2,768 1,770 4,772 15,773 11,774 1,777 1,782 1,786 1,793 32,794 4,795 1,796 6,797 1,802 1,803 1,807 1,808 0.75,809 4,811 1,828 1,829 3,832 1,857 1,859 3,862 1,864 3,868 32,875 1,876 6,878 2,880 2,883 1,888 1,893 6.3,894 1,896 1,898 2,901 16.75,902 12.2,903 7.069,904 3.893,907 2.779,908 1.354,909 0.927,910 7.184,911 10.638,912 3.807,913 4.391,914 4.943,915 5.506,916 6.037,917 6.336,918 6.678,919 7.049,920 6.963,921 6.899,922 1,923 51,924 11.94,926 5.103,927 0.026,929 7.646,931 23.242,933 19.603,936 2.146,937 68.667,941 364.904,942 174.654,945 89.828,947 31.278,948 143.376,949 454.732,951 30.162,952 13.921,953 118.493,954 30.278,955 38.245,956 2.104,957 396.182,959 364.904,960 143.376,961 89.828,962 31.278,964 306.049,965 106,966 42.683,968 13.921,969 129.456,971 31.278,972 364.904,973 89.828,974 174.654,977 364.904,978 68.681,979 105.972,981 89.828,982 364.904,983 89.828,984 174.654,986 0.585,987 0.347,988 0.181,989 0.101,990 24,991 11,992 0.119,993 8,994 1,995 1.095,996 4.336,997 286.836,998 0.095,999 21,1000 152,1001 1,1005 23.218,1006 9.901,1007 5.355,1008 1.935,1009 89.828,1010 16.271,1014 1.444,1015 3.326,1017 42.683,1018 629.386,1019 44,1024 12.929,1028 0.003,1031 63.683,1032 71.692,1034 0.244,1035 0.578,1036 0.789,1037 0.846,1038 0.859,1039 0.864,1040 5.069,1041 1.504,1042 6.014,1043 5.118,1044 4.615,1045 5.078,1046 2.271,1047 6.86,1048 4.518,1049 6.28,1050 1.415,1051 7.602,1052 4.142,1053 4.369,1054 4.966,1055 0.931,1056 8.005,1057 4.197,1058 7.603,1059 1.136,1060 9.295,1061 3.073,1062 6.293,1063 7.267,1064 2.428,1065 11.004,1066 6.096,1067 8.959,1068 1,1069 11.048,1070 2.841,1071 6.847,1072 7.959,1073 1.381,1074 12.942,1075 6.55,1076 10.346,1077 1,1078 12.841,1079 2.52,1080 8.275,1081 9.778,1082 2.737,1083 15.521,1084 7.953,1085 11.752,1086 0.978,1087 14.66,1088 2.372,1089 9.167,1090 10.855,1091 1.783,1092 17.764,1093 8.741,1094 13.174,1095 0.364,1096 16.497,1097 2.136,1098 10.417,1099 12.482,1100 3.126,1101 20.233,1102 9.952,1103 3.308,1104 0.241,1105 18.349,1106 0.491,1107 11.459,1108 13.762,1109 2.192,1110 22.599,1111 10.894,1112 3.123,1113 11.919,1114 20.212,1115 0.458,1116 12.646,1117 15.307,1118 3.559,1119 25.046,1120 12.027,1121 2.82,1122 10.109,1123 22.085,1124 4.502,1125 13.755,1126 16.695,1127 2.615,1128 27.465,1129 13.043,1130 2.649,1131 8.92,1132 23.965,1133 3.577,1134 14.924,1135 18.209,1136 4.015,1137 29.914,1138 14.145,1139 2.406,1140 8.446,1141 25.852,1142 3.532,1143 16.065,1144 19.652,1145 3.05,1146 32.358,1147 15.198,1148 2.274,1149 7.372,1150 27.744,1151 3.17,1152 17.231,1153 21.155,1154 4.483,1155 34.814,1156 16.29,1157 1.771,1158 6.78,1159 29.642,1160 3.068,1161 18.388,1162 22.627,1163 3.495,1164 37.27,1165 17.362,1166 14796,1167 22857,1168 23.057,1169 42.273,1170 52.603,1171 53.836,1172 54.693,1173 52.087,1174 52.149,1175 65.239,1176 9.005,1177 153.858,1178 49.508,1179 5.565,1180 5.682,1181 6.801,1182 5.344,1183 5.308,1184 7.502,1185 2.555,1186 18.703,1187 5.047,1188 16.874,1189 1.503,1190 1.538,1191 1.563,1192 1.488,1193 1.49,1194 1.864,1195 0.257,1196 4.396,1197 1.415,1198 4.101,1199 4.113,1200 4.34,1201 4.111,1202 7.427,1203 4.063,1204 4.005,1205 4.048,1206 3.919,1207 3.894,1208 6.448,1209 3.891,1210 3.842,1211 3.88,1212 3.747,1213 3.747,1214 4.968,1215 3.741,1216 3.647,1217 3.68,1218 3.627,1219 3.494,1220 4.756,1221 3.5,1222 3.471,1223 3.502,1224 3.45,1225 3.312,1226 4.527,1227 3.306,1228 3.266,1229 3.325,1230 3.15,1231 3.073,1232 4.496,1233 3.07,1234 3.249,1235 3.314,1236 3.075,1237 2.967,1238 4.35,1239 2.97,1240 3.111,1241 3.206,1242 2.902,1243 2.941,1244 3.872,1245 2.91,1246 0.13,1247 0.105,1248 0.2,1249 0.121,1250 0.095,1251 4.565,1252 0.129,1253 3.682,1254 0.036,1255 6.999,1256 0.341,1257 4.226,1258 0.087,1259 3.308,1260 4.502,1261 1.277,1262 11.919,1263 3.047,1264 1.971,1265 1.925,1266 2.139,1267 2.139,1268 1.534,1269 2.144,1270 1.908,1271 1.903,1272 2.009,1273 1.988,1274 1.204,1275 1.984,1276 1.852,1277 1.814,1278 1.963,1279 1.956,1280 1.14,1281 1.975,1282 1.643,1283 1.623,1284 1.795,1285 1.81,1286 1.037,1287 1.813,1288 1.418,1289 1.373,1290 1.613,1291 1.587,1292 0.835,1293 1.605,1294 1.23,1295 1.18,1296 1.575,1297 1.522,1298 0.825,1299 1.538,1300 1.197,1301 1.13,1302 1.559,1303 1.499,1304 0.617,1305 1.525,1306 1.153,1307 1.073,1308 1.513,1309 1.376,1310 0.579,1311 1.429,1312 4.263,1314 5.602,1315 2.398,1316 7.133,1317 4.727,1318 8.746,1319 6.843,1320 10.401,1322 5.5,1327 10.842,1328 5.114,1330 10.733,1332 -0.419,1335 0.987,1340 39.233,1341 93.789,1342 221.958,1343 302.98,1344 324.98,1345 329.735,1346 331.735,1347 69.618,1348 7.859,1349 55.76,1350 84,1351 23,1352 12.717,1353 4.17,1354 3.322,1355 52.235,1356 158,1357 150,1358 0.16,1359 242.552,1360 421.09,1361 583.588,1362 30868,1364 22.717,1365 0.71,1366 0.622,1367 23.071,1368 19.913,1369 15.403,1370 0.44,1371 0.347,1372 11.218,1373 14.375,1374 10.793,1375 8.97,1376 15.811,1377 12.13,1378 14.106,1379 0.282,1380 0.209,1381 14.748,1382 10.445,1383 11.901,1384 0.183,1385 0.124,1386 12.738,1387 8.086,1388 9.633,1389 0.116,1390 0.072,1391 10.495,1392 5.97,1393 7.767,1394 0.074,1395 0.043,1396 8.613,1397 4.535,1398 0.259,1399 100.667,1400 0.208,1401 30.429,1402 0.419,1403 170,1404 442.55,1405 208.03,1406 440.813,1407 596.82,1408 414,1409 200,1410 409.715,1411 237.846,1412 435.254,1413 633.81,1414 406,1415 6.691}
{0 CHEMBL315385,1 1.254,2 13.31,3 3.923,4 15.387,5 121.479,6 6.119,7 0.375,8 4.211,9 4.351,10 3.619,11 3.77,12 5.086,13 3.699,14 4.826,15 5.034,16 3.963,17 4.22,18 5.603,19 4.113,20 5.207,21 5.453,22 4.067,23 4.462,24 5.959,25 4.305,26 5.346,27 5.64,28 3.893,29 4.439,30 6.03,31 4.23,32 5.216,33 5.518,34 3.827,35 4.312,36 5.918,37 4.113,38 5.061,39 5.335,40 3.724,41 4.201,42 5.837,43 4.017,44 4.982,45 5.254,46 3.609,47 4.101,48 5.78,49 3.912,50 4.887,51 5.177,52 3.481,53 3.989,54 5.599,55 3.789,56 0.077,57 0.894,58 15.725,59 6.504,60 8.792,61 9.38,62 0.193,63 1.544,64 28.903,65 11.128,66 15.162,67 16.403,68 0.265,69 2.09,70 41.511,71 16.486,72 32.729,73 23.976,74 0.333,75 2.22,76 46.937,77 18.249,78 41.9,79 26.678,80 0.328,81 1.926,82 41.066,83 16.211,84 38.986,85 23.578,86 0.268,87 1.67,88 35.603,89 13.985,90 34.747,91 20.054,92 0.324,93 1.517,94 33.059,95 12.862,96 38.204,97 18.329,98 0.208,99 1.385,100 29.576,101 11.681,102 29.78,103 16.886,104 5,105 44,106 0.202,107 0.494,108 0.726,109 0.835,110 0.849,111 0.849,112 3.407,113 1.083,114 -2.01,115 -2.06,116 -2.06,121 40.6,123 7,124 1,126 1,127 4,144 8,145 3,146 1,159 1,176 17,180 2,185 3,187 18,189 3,192 3,197 4,200 14,203 3,206 2,211 1,214 11,216 3,219 3,222 1,224 1,227 14,229 2,232 1,237 1,239 14,244 2,246 1,249 1,251 13,253 1,261 2,264 10,266 2,269 1,277 8,279 1,281 1337,282 19.775,283 19.775,284 19.775,285 19.775,286 19.775,287 18.208,288 23.99,289 11.843,290 19.945,291 15.81,292 15.81,293 15.81,294 15.81,295 15.81,296 13.412,297 28.177,298 5.669,299 16.085,300 4.746,301 2.935,302 1.492,303 0.817,304 0.731,305 0.731,306 4.108,311 1,312 1,313 846,314 3.391,318 283.038,319 102.899,323 155.454,325 2.114,326 16.651,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 60,338 386,339 4.332,340 3.679,341 6.998,342 4.22,343 3.303,344 3.973,345 1.277,346 11.915,347 3.035,348 4.324,349 3.605,350 6.248,351 3.969,352 2.971,353 3.531,354 1.26,355 9.413,356 2.969,357 3.894,358 3.034,359 5.898,360 3.616,361 2.605,362 3.237,363 0.4,364 8.15,365 2.625,366 3.806,367 2.605,368 5.348,369 3.45,370 2.45,371 3.159,372 0.245,373 6.964,374 2.449,375 3.383,376 2.382,377 5.249,378 3.309,379 2.318,380 2.403,382 6.673,383 2.29,384 2.948,385 1.996,386 4.469,387 2.652,388 1.685,389 2.083,391 4.51,392 1.652,393 2.89,394 1.928,395 4.171,396 2.649,397 1.648,398 2.027,400 3.811,401 1.622,402 2.863,403 1.584,404 3.802,405 2.443,406 1.444,407 1.923,409 3.254,410 1.442,411 2.61,412 1.534,413 3.72,414 2.402,415 1.39,416 1.611,418 3.072,419 1.403,420 2.5,421 1.115,422 3.705,423 2,424 1,425 1.5,427 2.372,428 1,429 2.072,430 1.077,431 3.331,432 1.984,433 1,434 1.015,436 2.136,437 0.983,438 2,439 1,440 3.263,441 1.856,442 0.872,443 1,445 1.967,446 0.856,447 1.791,448 0.95,449 3.247,450 1.629,451 0.608,452 0.677,454 1.418,455 0.617,456 1.216,457 0.394,458 3.019,459 1.046,460 0.062,461 0.067,463 0.158,464 0.06,465 1.079,466 0.169,467 2.513,468 0.839,469 -0.146,470 -0.162,472 -0.342,473 -0.143,474 14.133,475 0.487,476 0.646,477 0.022,478 31.75,479 1.095,480 14,481 0.483,482 17.75,483 0.612,484 29.941,485 1.032,486 32.367,487 0.506,488 21.107,489 0.728,490 5.634,491 0.194,492 8.478,493 0.292,494 0.059,495 0.028,496 0.212,501 0.807,502 1.345,503 0.997,504 1.163,505 0.562,506 1.1,507 1.099,508 1.106,509 1.081,510 1.04,511 0.558,512 1.044,513 0.989,514 1.163,515 1.095,516 1.139,517 0.843,518 1.125,519 1.03,520 1.009,521 1.026,522 1.02,523 1.019,524 1.022,525 0.813,526 0.884,527 0.874,528 0.906,529 0.932,530 0.897,531 1.346,532 0.999,533 1.065,534 1.039,535 1.661,536 1.038,537 1.548,538 0.991,539 1.11,540 1.032,541 2.156,542 1.051,543 1.084,544 1.016,545 0.979,546 1.007,547 1.31,548 0.995,549 6,550 0.139,551 3.111,552 1.438,553 1.548,554 0.816,555 0.449,556 0.339,557 0.224,558 0.153,559 12733,560 22220,561 2.124,562 54.7,563 7,564 19,567 1,568 2,569 6,572 1.712,573 2.035,574 3.697,575 -0.473,577 1,582 80.264,583 1.254,584 3.065,585 4.508,586 5.183,587 5.269,588 5.269,589 3.142,590 4.349,591 4.831,592 3.875,593 1573.05,594 8.372,595 22470.7,597 1,600 384,601 1.274,602 4.804,603 0.188,604 0.006,605 0.071,606 0.031,607 0.043,608 0.023,609 0.014,610 0.013,611 0.009,612 0.007,613 0.405,614 0.67,615 1,616 0.434,617 150.869,618 0.037,619 -0.101,620 0.066,621 -0.009,622 0.021,623 0.023,624 -0.09,625 0.058,626 -0.037,627 0.012,628 0.036,629 -0.002,630 -0.043,631 -0.115,632 -0.093,633 -0.115,634 0.015,635 -0.108,636 -0.042,637 -0.053,638 -0.051,639 -0.055,640 -0.025,641 -0.054,642 0.115,643 0.053,644 0.092,645 0.058,646 0.048,647 0.072,648 -0.073,649 -0.034,650 -0.067,651 -0.053,652 -0.119,653 -0.058,654 -0.032,655 -0.041,656 -0.099,657 -0.052,658 -0.196,659 -0.079,660 -0.013,661 -0.078,662 -0.002,663 -0.033,664 -0.051,665 -0.021,666 1.356,667 5.796,668 0.793,669 31.218,670 0.978,671 1.126,672 0.784,673 0.615,674 0.641,675 3.497,676 3.807,677 4.025,678 4.234,679 4.489,680 4.511,681 4.522,682 4.615,683 4.663,684 4.727,685 7.81,686 0.585,687 391.63,688 3.497,689 5.03,690 5.861,691 6.725,692 7.571,693 8.438,694 9.29,695 10.159,696 11.014,697 11.884,698 3.1,703 1,712 1,715 8,720 4,722 12,727 1,734 1,741 64,743 13,744 2,745 32,747 67,748 26,749 12,750 4,751 8,752 1,756 4,757 5,767 5,768 1,770 7,772 13,773 13,774 1,777 1,782 1,786 1,793 35,794 2,795 1,796 3,802 2,803 1,807 1,808 0.75,809 1,829 3,830 1,834 1,859 3,864 1,868 29,876 11,877 1,880 1,883 1,893 1.6,896 1,901 14.25,902 11.417,903 6.347,904 4.41,907 1.983,908 1.26,909 0.964,910 6.472,911 9.618,912 3.689,913 4.19,914 4.644,915 5.094,916 5.581,917 5.627,918 5.792,919 5.875,920 5.952,921 6.104,922 0.889,923 46,924 10.842,926 4.584,927 0.026,929 7.402,931 21.911,933 18.881,936 1.902,937 55.167,941 400.217,942 127.818,943 18.011,945 25.145,948 127.818,949 425.362,950 18.011,951 8.396,952 26.165,953 75.81,954 48.289,955 12.313,957 400.217,959 400.217,960 145.829,961 25.145,964 329.591,965 95.772,968 26.165,969 101.653,970 18.011,972 400.217,973 43.156,974 127.818,977 400.217,978 43.611,979 84.206,980 18.011,981 25.145,982 400.217,983 43.156,984 127.818,986 0.578,987 0.328,988 0.169,989 0.099,990 21,991 8,992 0.09,993 6,994 1,995 1.087,996 4.223,997 245.376,998 0.087,999 23,1000 132.881,1005 20.317,1006 9.237,1007 5.349,1009 43.156,1010 17.143,1015 4.862,1017 18.011,1018 571.191,1019 39,1024 12.796,1028 0.311,1031 62.61,1032 72.057,1034 0.209,1035 0.511,1036 0.751,1037 0.864,1038 0.878,1039 0.878,1040 4.934,1041 1.444,1042 5.849,1043 3.811,1044 4.489,1045 4.875,1046 1.953,1047 6.645,1048 4.454,1049 6.101,1050 1.39,1051 7.401,1052 3.254,1053 4.111,1054 4.575,1055 0.931,1056 7.769,1057 4.009,1058 7.393,1059 1,1060 9.064,1061 3.072,1062 6.116,1063 6.918,1064 2.219,1065 10.743,1066 6.018,1067 8.717,1068 1,1069 10.798,1070 2.372,1071 6.581,1072 7.409,1073 1.381,1074 12.719,1075 6.394,1076 10.074,1077 0.872,1078 12.579,1079 2.136,1080 8.055,1081 9.256,1082 2.627,1083 15.286,1084 7.861,1085 11.452,1086 0.608,1087 14.393,1088 1.967,1089 8.901,1090 10.115,1091 1.783,1092 17.572,1093 8.611,1094 12.848,1095 0.062,1096 16.232,1097 1.418,1098 10.173,1099 11.743,1100 3.073,1101 20.044,1102 9.855,1103 3.303,1104 -0.146,1105 18.088,1106 0.158,1107 11.194,1108 12.8,1109 2.192,1110 22.443,1111 10.782,1112 2.971,1113 11.915,1114 19.958,1115 -0.342,1116 12.392,1117 14.314,1118 3.534,1119 24.902,1120 11.933,1121 2.605,1122 9.413,1123 21.839,1124 3.973,1125 13.495,1126 15.488,1127 2.615,1128 27.343,1129 12.945,1130 2.45,1131 8.15,1132 23.729,1133 3.531,1134 14.67,1135 16.938,1136 4.003,1137 29.805,1138 14.058,1139 2.318,1140 6.964,1141 25.627,1142 3.237,1143 15.811,1144 18.184,1145 3.05,1146 32.265,1147 15.111,1148 1.685,1149 6.673,1150 27.531,1151 3.159,1152 16.982,1153 19.599,1154 4.478,1155 34.732,1156 16.21,1157 1.648,1158 4.51,1159 29.44,1160 2.403,1161 18.142,1162 20.891,1163 3.495,1164 37.199,1165 17.284,1166 11871,1167 15773,1168 21.841,1169 41.029,1170 47.141,1171 47.787,1172 47.939,1173 46.797,1174 46.712,1175 56.413,1176 6.365,1177 131.624,1178 46.003,1179 5.332,1180 5.679,1181 6.8,1182 5.255,1183 5.303,1184 6.973,1185 2.555,1186 18.337,1187 5.035,1188 9.72,1189 1.473,1190 1.493,1191 1.498,1192 1.462,1193 1.46,1194 1.763,1195 0.199,1196 4.113,1197 1.438,1198 4.046,1199 4.096,1200 3.965,1201 3.95,1202 7.427,1203 3.948,1204 3.972,1205 4.013,1206 3.896,1207 3.879,1208 4.763,1209 3.876,1210 3.838,1211 3.88,1212 3.736,1213 3.744,1214 4.716,1215 3.735,1216 3.661,1217 3.714,1218 3.543,1219 3.52,1220 4.368,1221 3.515,1222 3.512,1223 3.581,1224 3.359,1225 3.36,1226 4.153,1227 3.352,1228 3.288,1229 3.35,1230 3.15,1231 3.125,1232 3.97,1233 3.121,1234 3.199,1235 3.291,1236 3.023,1237 2.997,1238 3.85,1239 2.99,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.674,1245 2.91,1246 0.135,1247 0.115,1248 0.219,1249 0.132,1250 0.103,1251 4.332,1252 0.124,1253 3.679,1254 0.04,1255 6.998,1256 0.372,1257 4.22,1258 0.095,1259 3.303,1260 3.973,1261 1.277,1262 11.915,1263 3.035,1264 1.977,1265 1.937,1266 2.147,1267 2.141,1268 1.543,1269 2.147,1270 1.94,1271 1.912,1272 2.048,1273 2.03,1274 1.314,1275 2.035,1276 1.846,1277 1.802,1278 2.007,1279 1.949,1280 1.231,1281 1.971,1282 1.672,1283 1.607,1284 1.923,1285 1.855,1286 1.154,1287 1.884,1288 1.561,1289 1.499,1290 1.797,1291 1.762,1292 1.037,1293 1.778,1294 1.328,1295 1.267,1296 1.59,1297 1.54,1298 0.825,1299 1.557,1300 1.153,1301 1.067,1302 1.513,1303 1.376,1304 0.818,1305 1.429,1306 1.146,1307 1.064,1308 1.466,1309 1.365,1310 0.686,1311 1.405,1312 4.174,1314 5.485,1316 6.984,1317 2.708,1318 8.566,1319 5.094,1320 10.191,1322 2.386,1328 12.344,1329 3.5,1332 0.694,1335 1.13,1340 37.45,1341 80.264,1342 196.179,1343 288.516,1344 331.735,1345 337.245,1346 337.245,1347 49.466,1348 7.636,1349 29.1,1350 29.1,1351 25,1352 12.43,1353 3.807,1354 3,1355 45.116,1356 139,1357 123,1358 0.157,1359 229.155,1360 400.75,1361 550.897,1362 24952,1364 20.106,1365 0.693,1366 0.617,1367 20.106,1368 17.883,1369 14.112,1370 0.441,1371 0.361,1372 11.466,1373 13.841,1374 11.183,1375 9.294,1376 14.112,1377 11.552,1378 12.748,1379 0.29,1380 0.219,1381 12.748,1382 9.634,1383 10.484,1384 0.191,1385 0.131,1386 10.484,1387 7.186,1388 8.293,1389 0.122,1390 0.077,1391 8.293,1392 5.204,1393 7.076,1394 0.08,1395 0.047,1396 7.076,1397 4.147,1398 0.255,1399 86.483,1400 0.214,1401 28.248,1402 0.405,1403 152,1404 290.401,1405 158.267,1406 290.939,1407 404.22,1408 274,1409 175,1410 298.298,1411 182.655,1412 307.86,1413 445.09,1414 291,1415 6.391}
{0 CHEMBL315515,1 1.436,2 14.065,3 3.479,4 12.101,5 125.104,6 6.667,7 0.294,8 4.277,9 4.394,10 3.792,11 3.8,12 5.182,13 3.735,14 4.911,15 5.103,16 4.177,17 4.249,18 5.723,19 4.154,20 5.209,21 5.428,22 4.247,23 4.451,24 6.015,25 4.304,26 5.342,27 5.608,28 4.146,29 4.454,30 6.069,31 4.269,32 5.307,33 5.588,34 4.079,35 4.357,36 6.037,37 4.185,38 5.166,39 5.415,40 3.973,41 4.333,42 5.957,43 4.139,44 5.165,45 5.449,46 3.82,47 4.255,48 5.909,49 4.015,50 4.962,51 5.245,52 3.692,53 4.042,54 5.684,55 3.852,56 0.042,57 0.917,58 17.09,59 7.311,60 8.971,61 9.555,62 0.33,63 1.567,64 34.197,65 12.421,66 21.361,67 16.397,68 0.561,69 2.009,70 47.279,71 17.207,72 40.249,73 22.869,74 0.422,75 2.169,76 53.626,77 19.14,78 43.849,79 26.025,80 0.585,81 2.008,82 52.217,83 17.412,84 48.766,85 23.759,86 0.4,87 1.86,88 45.942,89 16.689,90 42.551,91 22.055,92 0.599,93 1.796,94 47.761,95 17.021,96 56.123,97 22.598,98 0.313,99 1.449,100 37.445,101 12.987,102 32.302,103 17.772,104 21,105 48,106 0.23,107 0.488,108 0.738,109 0.832,110 0.836,111 0.841,112 3.471,113 1.113,114 -0.64,115 -0.76,116 -0.89,121 37.3,123 7,124 1,126 3,127 4,129 1,144 3,145 1,146 2,154 2,159 1,176 8,180 5,187 10,189 2,191 1,192 7,194 1,200 7,203 2,206 5,214 3,216 2,219 8,227 7,229 2,232 1,239 10,243 2,244 3,246 1,251 8,256 3,264 7,266 2,269 2,277 2,279 1,281 1622,282 21.049,283 21.049,284 21.049,285 21.049,286 21.049,287 19.848,288 22.891,289 12.255,290 21.802,291 16.653,292 16.653,293 16.653,294 16.653,295 16.653,296 14.563,297 24.674,298 5.678,299 17.708,300 4.63,301 3.018,302 1.456,303 0.87,304 0.84,305 0.81,306 4.166,311 1,312 1,313 944,314 3.808,317 77.027,318 328.439,321 146.167,325 2.2,326 25.077,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 66.5,338 436,339 4.565,340 3.661,341 6.998,342 4.217,343 3.303,344 4.502,345 1.277,346 11.915,347 3.022,348 4.303,349 3.612,350 6.437,351 4.066,352 3.12,353 3.574,354 1.2,355 10.099,356 2.949,357 4.081,358 3.24,359 6.068,360 3.709,361 2.747,362 3.303,363 0.86,364 8.762,365 2.653,366 3.708,367 2.814,368 5.708,369 3.444,370 2.477,371 3.047,372 0.86,373 7.472,374 2.395,375 3.459,376 2.715,377 5.347,378 3.321,379 2.373,380 2.471,381 0.86,382 6.946,383 2.233,384 3.325,385 2.396,386 5.248,387 3.231,388 2.252,389 2.465,391 6.664,392 2.177,393 3.178,394 2.215,395 4.717,396 2.698,397 1.771,398 2.333,400 5.118,401 1.628,402 2.69,403 1.653,404 4.118,405 2.419,406 1.441,407 1.69,409 3.5,410 1.404,411 2.439,412 1.604,413 3.943,414 2.252,415 1.289,416 1.438,418 3.071,419 1.219,420 2.399,421 1.427,422 3.802,423 1.984,424 1.136,425 1.376,427 2.841,428 0.983,429 2,430 1.313,431 3.708,432 1.983,433 1,434 1,436 2.372,437 0.946,438 2,439 1.116,440 3.325,441 1.917,442 1,443 1,445 2.136,446 0.906,447 1.782,448 1.077,449 3.247,450 1.6,451 0.589,452 0.66,454 1.377,455 0.587,456 1.554,457 1.001,458 3.011,459 1.21,460 0.36,461 0.393,463 0.489,464 0.303,465 1.485,466 0.518,467 2.887,468 1.121,469 0.241,470 0.311,472 0.458,473 0.209,474 15.067,475 0.486,476 0.766,477 0.025,478 30.25,479 0.976,480 10.5,481 0.339,482 19.75,483 0.637,484 36.694,485 1.184,486 36.233,487 0.541,488 20.332,489 0.656,490 5.246,491 0.169,492 9.746,493 0.314,494 0.122,495 0.027,496 0.265,501 0.805,502 1.419,503 0.856,504 1.196,505 0.598,506 1.133,507 1.285,508 0.934,509 0.936,510 0.852,511 0.723,512 0.894,513 0.923,514 1.083,515 1.038,516 1.081,517 0.874,518 1.095,519 0.771,520 1.083,521 0.931,522 1.065,523 0.85,524 1.037,525 1.078,526 0.824,527 0.864,528 0.817,529 0.874,530 0.829,531 0.952,532 1.076,533 1.154,534 1.123,535 1.474,536 1.121,537 0.478,538 1.016,539 1.122,540 1.132,541 0.887,542 1.044,543 0.75,544 0.975,545 0.939,546 1.003,547 0.768,548 0.919,549 7.5,550 0.241,551 3.556,552 2.042,553 2.094,554 0.952,555 0.681,556 0.477,557 0.221,558 0.182,559 14829,560 30812,561 2.077,562 53.7,563 5,564 21,568 2,569 8,572 1.73,573 1.948,574 3.77,575 -0.799,582 96.214,583 1.436,584 3.048,585 4.61,586 5.196,587 5.226,588 5.256,589 3.244,590 4.156,591 4.926,592 3.952,593 1837.7,594 8.566,595 27660.2,600 406.428,601 1.501,602 4.881,603 0.221,604 0.01,605 0.074,606 0.043,607 0.05,608 0.024,609 0.019,610 0.016,611 0.008,612 0.007,613 0.472,614 0.33,615 1,616 0.796,617 164.915,618 0.021,619 -0.172,620 0.095,621 -0.052,622 0.03,623 -0.007,624 -0.141,625 0.201,626 0.068,627 0.18,628 0.014,629 0.124,630 0.036,631 -0.02,632 -0.038,633 -0.044,634 0.035,635 -0.075,636 0.019,637 -0.104,638 0.022,639 -0.083,640 0.027,641 -0.043,642 -0.052,643 0.118,644 0.092,645 0.11,646 0.033,647 0.122,648 -0.089,649 -0.061,650 -0.118,651 -0.079,652 -0.106,653 -0.111,654 0.198,655 -0.048,656 -0.031,657 -0.065,658 0.13,659 -0.037,660 0.027,661 -0.027,662 0.055,663 -0.009,664 0.099,665 0.07,666 1.405,667 5.883,668 0.677,669 35.923,670 0.992,671 1.127,672 -0.586,673 0.343,674 0.639,675 3.555,676 3.892,677 4.143,678 4.382,679 4.625,680 4.663,681 4.745,682 4.883,683 4.82,684 4.771,685 8.21,686 0.586,687 446.69,688 3.555,689 5.106,690 5.953,691 6.836,692 7.702,693 8.588,694 9.462,695 10.35,696 11.227,697 12.117,698 1.5,712 1,714 2,715 3,719 1,720 3,722 10,727 1,739 2,741 67,743 11,744 1,745 34,747 70,748 25,749 8,750 4,751 2,752 1,756 4,757 5,767 6,768 1,770 8,772 9,773 16,774 1,777 1,782 1,786 1,793 36,794 4,796 6,797 1,802 1,803 1,807 1,808 0.75,809 4,828 1,829 3,832 1,858 1,859 3,862 1,864 3,868 31,876 11,878 3,880 2,883 1,888 1,893 6,896 1,897 1,898 2,901 15.917,902 12.75,903 6.875,904 4.451,907 1.99,908 1.254,909 0.937,910 7.556,911 9.815,912 3.714,913 4.252,914 4.782,915 5.331,916 5.863,917 6.237,918 6.581,919 6.943,920 6.839,921 6.688,922 1,923 48,924 11.588,926 4.894,927 0.026,929 7.5,931 23.14,933 19.752,936 2,937 62,941 423.76,942 138.818,945 58.145,947 31.278,948 107.54,949 481.904,951 30.162,952 28.651,953 28.429,954 41.278,955 35.06,956 2.104,957 455.037,959 423.76,960 107.54,961 58.145,962 31.278,964 329.591,965 141.314,966 11,968 28.651,969 78.889,971 31.278,972 423.76,973 58.145,974 138.818,977 423.76,978 80.226,979 58.591,981 58.145,982 423.76,983 58.145,984 138.818,986 0.581,987 0.342,988 0.179,989 0.102,990 23,991 10,992 0.114,993 8,994 1,995 1.095,996 4.325,997 271.076,998 0.095,999 21,1000 149.58,1001 1,1005 23.005,1006 10.183,1007 5.609,1008 2.11,1009 58.145,1010 5.923,1014 1.558,1015 2.253,1018 620.722,1019 40,1024 12.883,1028 0.262,1031 66.45,1032 75.522,1034 0.237,1035 0.502,1036 0.76,1037 0.857,1038 0.862,1039 0.866,1040 4.987,1041 1.441,1042 5.964,1043 5.118,1044 4.575,1045 4.938,1046 2.363,1047 6.797,1048 4.461,1049 6.173,1050 1.289,1051 7.542,1052 3.5,1053 4.29,1054 4.868,1055 0.931,1056 7.936,1057 4.103,1058 7.491,1059 1.136,1060 9.225,1061 3.071,1062 6.24,1063 7.095,1064 2.465,1065 10.927,1066 6.012,1067 8.842,1068 1,1069 10.971,1070 2.841,1071 6.77,1072 7.866,1073 1.241,1074 12.877,1075 6.443,1076 10.228,1077 1,1078 12.759,1079 2.372,1080 8.21,1081 9.626,1082 2.716,1083 15.454,1084 7.847,1085 11.636,1086 0.589,1087 14.575,1088 2.136,1089 9.091,1090 10.776,1091 1.521,1092 17.712,1093 8.622,1094 13.061,1095 0.36,1096 16.412,1097 1.377,1098 10.348,1099 12.369,1100 3.058,1101 20.184,1102 9.83,1103 3.303,1104 0.241,1105 18.264,1106 0.489,1107 11.387,1108 13.702,1109 1.818,1110 22.562,1111 10.766,1112 3.12,1113 11.915,1114 20.129,1115 0.458,1116 12.579,1117 15.232,1118 3.455,1119 25.013,1120 11.896,1121 2.747,1122 10.099,1123 22.005,1124 4.502,1125 13.689,1126 16.652,1127 2.132,1128 27.439,1129 12.909,1130 2.477,1131 8.762,1132 23.888,1133 3.574,1134 14.862,1135 18.16,1136 3.885,1137 29.892,1138 14.009,1139 2.373,1140 7.472,1141 25.779,1142 3.303,1143 16.005,1144 19.623,1145 2.46,1146 32.34,1147 15.06,1148 2.252,1149 6.946,1150 27.676,1151 3.047,1152 17.174,1153 21.125,1154 4.334,1155 34.799,1156 16.149,1157 1.771,1158 6.664,1159 29.579,1160 2.471,1161 18.334,1162 22.608,1163 2.798,1164 37.258,1165 17.219,1166 14042,1167 20537,1168 22.652,1169 42.796,1170 50.642,1171 52.221,1172 52.415,1173 50.261,1174 50.284,1175 59.212,1176 10.115,1177 146.656,1178 47.31,1179 5.565,1180 5.661,1181 6.8,1182 5.334,1183 5.303,1184 7.502,1185 2.555,1186 18.67,1187 5.022,1188 14.996,1189 1.489,1190 1.536,1191 1.542,1192 1.478,1193 1.479,1194 1.742,1195 0.297,1196 4.313,1197 1.391,1198 4.099,1199 4.109,1200 4.339,1201 4.111,1202 7.427,1203 4.062,1204 3.987,1205 4.039,1206 3.878,1207 3.829,1208 4.968,1209 3.83,1210 3.787,1211 3.836,1212 3.661,1213 3.645,1214 4.628,1215 3.638,1216 3.64,1217 3.681,1218 3.611,1219 3.491,1220 4.528,1221 3.493,1222 3.47,1223 3.508,1224 3.42,1225 3.32,1226 4.496,1227 3.308,1228 3.282,1229 3.341,1230 3.16,1231 3.102,1232 4.352,1233 3.092,1234 3.249,1235 3.314,1236 3.075,1237 2.967,1238 3.965,1239 2.97,1240 3.119,1241 3.208,1242 2.91,1243 2.941,1244 3.767,1245 2.914,1246 0.134,1247 0.108,1248 0.206,1249 0.124,1250 0.097,1251 4.565,1252 0.132,1253 3.661,1254 0.038,1255 6.998,1256 0.35,1257 4.217,1258 0.089,1259 3.303,1260 4.502,1261 1.277,1262 11.915,1263 3.022,1264 1.944,1265 1.903,1266 2.141,1267 2.138,1268 1.551,1269 2.143,1270 1.908,1271 1.885,1272 2.011,1273 1.988,1274 1.372,1275 1.985,1276 1.783,1277 1.736,1278 1.963,1279 1.958,1280 1.167,1281 1.976,1282 1.646,1283 1.619,1284 1.834,1285 1.814,1286 1.139,1287 1.829,1288 1.438,1289 1.387,1290 1.632,1291 1.599,1292 0.937,1293 1.621,1294 1.24,1295 1.184,1296 1.576,1297 1.523,1298 0.825,1299 1.539,1300 1.208,1301 1.15,1302 1.566,1303 1.502,1304 0.77,1305 1.527,1306 1.175,1307 1.096,1308 1.513,1309 1.383,1310 0.635,1311 1.433,1312 4.234,1314 5.565,1315 2.398,1316 7.088,1317 4.727,1318 8.694,1319 6.843,1320 10.343,1322 5.663,1328 12.341,1330 16.764,1332 1.11,1335 1.134,1340 39.287,1341 96.214,1342 204.189,1343 308.879,1344 348.163,1345 350.163,1346 352.163,1347 59.903,1348 7.825,1349 44.76,1350 73,1351 23,1352 12.648,1353 3.585,1354 2.807,1355 49.88,1356 156,1357 142,1358 0.155,1359 241.742,1360 422.61,1361 581.611,1362 30154,1364 21.847,1365 0.705,1366 0.646,1367 22.2,1368 20.023,1369 14.992,1370 0.441,1371 0.371,1372 11.685,1373 13.896,1374 11.281,1375 9.344,1376 15.401,1377 12.615,1378 13.577,1379 0.283,1380 0.226,1381 14.219,1382 10.848,1383 11.458,1384 0.185,1385 0.137,1386 12.295,1387 8.523,1388 9.153,1389 0.116,1390 0.081,1391 10.026,1392 6.388,1393 7.673,1394 0.076,1395 0.05,1396 8.484,1397 5.033,1398 0.253,1399 98.534,1400 0.21,1401 29.806,1402 0.4,1403 164,1404 416.135,1405 203.469,1406 406.094,1407 551.73,1408 384,1409 192,1410 377.987,1411 231.23,1412 398.16,1413 582.98,1414 372,1415 7.553}
{0 CHEMBL31561,1 0.991,2 3.75,3 2.802,4 7.853,5 36.14,6 5.899,7 0.75,8 2.913,9 3.048,10 2.287,11 2.55,12 3.892,13 2.454,14 3.385,15 3.602,16 2.503,17 2.845,18 4.234,19 2.715,20 3.477,21 3.686,22 2.306,23 2.858,24 4.337,25 2.671,26 3.534,27 3.862,28 1.565,29 2.537,30 4.122,31 2.223,32 2.999,33 3.39,34 0.957,35 1.843,36 3.367,37 1.516,38 1.895,39 2.11,40 0.409,41 1.189,42 2.565,43 0.948,44 2.195,45 2.648,46 0.062,47 0.835,48 2.303,49 0.485,56 0.017,57 0.213,58 4.143,59 1.894,60 4.039,61 2.679,62 0.026,63 0.333,64 6.483,65 2.964,66 5.74,67 4.193,68 0.029,69 0.366,70 7.115,71 3.253,72 7.757,73 4.602,74 0.028,75 0.359,76 6.98,77 3.191,78 7.46,79 4.515,80 0.015,81 0.196,82 3.822,83 1.747,84 3.309,85 2.472,86 0.005,87 0.064,88 1.243,89 0.568,90 1.449,91 0.804,92 0.006,93 0.077,94 1.491,95 0.682,96 1.494,97 0.965,104 5,105 10,106 0.226,107 0.5,108 0.5,109 0.5,110 0.5,111 0.5,112 2.262,113 1.058,114 -4.17,115 -4.11,116 -3.89,121 44.4,122 2,144 4,145 2,176 8,187 10,200 7,214 2,227 1,281 12,282 5.138,283 5.138,284 5.138,285 5.138,286 5.138,287 4.309,288 4.851,289 3.145,290 5.138,291 3.933,292 3.933,293 3.933,294 3.933,295 3.933,296 2.809,297 2.941,298 1.52,299 3.933,300 3.179,301 1.973,302 1.973,303 1.973,304 1.973,305 1.973,306 2.805,312 1,313 58,314 1,318 22.133,325 0.75,326 1.35,329 1,330 0.5,331 0.83,332 0.7,334 1,335 1,336 0.72,337 16,338 30,339 3.978,340 2.718,341 5.236,342 3.562,343 2.562,344 3.589,346 6.623,347 2.562,348 3.351,349 2.263,350 4.732,351 3,352 2,353 2.637,355 5.275,356 2,357 2.5,358 1,359 3.414,360 2,361 1,362 1.5,364 2.275,365 1,366 1.269,367 0.358,368 2,369 1,375 0.5,376 -0.583,377 2,379 -1,380 -1.137,382 -2.275,383 -1,384 0.149,385 -1,386 1.268,388 -1,389 -1.5,391 -3,392 -1,393 -0.248,394 -1.396,395 0.764,396 -0.562,397 -1.562,398 -2.089,400 -3.623,401 -1.562,402 -0.5,403 -2,404 0.586,405 -1,406 -2,407 -3,409 -5.275,410 -2,474 4,475 0.5,476 0.212,477 0.027,478 10,479 1.25,480 6,481 0.75,482 4,483 0.5,484 4.09,485 0.511,486 8.6,487 0.478,488 4.304,489 0.538,490 2.081,491 0.26,492 1.706,493 0.213,494 0.25,496 0.25,501 1.063,502 1.063,503 1.063,504 1.063,505 1.291,506 1.063,507 0.893,508 0.893,509 0.893,510 0.893,511 0.646,512 0.893,513 1.391,514 1.391,515 1.391,516 1.391,517 1.438,518 1.391,519 1.063,520 1.063,521 1.063,522 1.063,523 1.224,524 1.063,525 0.546,526 0.546,527 0.546,528 0.546,529 0.277,530 0.546,531 1.913,532 1.913,533 1.913,534 1.913,535 2.179,536 1.913,549 2,551 0.889,552 0.25,553 0.302,559 222,560 405,561 1.861,562 55.6,563 6,564 4,572 1.3,573 1.714,574 2.117,575 -0.946,582 17.839,583 0.991,584 2.197,585 2.197,586 2.197,587 2.197,588 2.197,589 1.5,590 0.811,591 2.981,592 1.991,593 55.735,594 4.649,595 288.266,600 75.059,601 1.5,602 2.906,603 0.25,605 0.089,606 0.036,607 0.151,613 0.526,614 1,615 0.88,616 0.875,617 21.826,622 -0.203,624 0.11,625 0.11,626 0.11,627 0.11,628 0.261,629 0.11,630 -0.414,631 -0.414,632 -0.414,633 -0.414,634 -0.384,635 -0.414,636 -0.175,637 -0.175,638 -0.175,639 -0.175,640 -0.282,641 -0.175,642 0.307,643 0.307,644 0.307,645 0.307,646 0.448,647 0.307,648 -1,649 -1,650 -1,651 -1,652 -1.114,653 -1,654 0.8,655 0.8,656 0.8,657 0.8,658 0.766,659 0.8,666 0.337,667 0.12,668 0.75,669 2.25,670 0.968,671 1.115,672 2.942,673 8.653,674 0.656,675 2.197,676 2.398,677 2.398,678 2.398,679 2.565,680 1.609,685 2.449,686 0.591,687 106.18,688 2.197,689 3.611,690 4.344,691 5.13,692 5.889,693 6.671,694 7.439,695 8.217,696 8.989,697 9.766,715 4,720 2,722 6,741 18,743 6,744 1,745 8,747 18,748 8,749 6,750 2,751 4,756 1,757 1,763 2,772 6,773 2,793 10,808 1,829 1,859 1,864 2,868 8,901 4.667,902 3.833,903 1.833,904 1.056,907 1.23,908 1.297,909 0.923,910 1.336,911 5.373,912 2.485,913 3.02,914 3.409,915 3.804,916 4.298,917 3.446,922 0.667,923 7,924 2.94,925 0.063,926 1.095,927 0.084,929 7.417,931 5.792,932 0.02,933 4.286,934 0.041,935 0.005,936 1.917,937 15.333,938 0.072,941 117.711,942 61.927,948 61.927,949 117.711,951 17.65,953 37.905,955 6.371,957 117.711,959 117.711,960 61.927,964 117.711,968 17.65,969 44.276,972 117.711,974 61.927,977 117.711,978 6.371,979 55.555,982 117.711,984 61.927,986 0.567,987 0.288,988 0.122,989 0.08,990 5,991 2,995 1,996 1.924,997 33.373,999 6,1000 12,1005 5.359,1006 1.994,1007 1.353,1010 8.481,1015 2.659,1018 179.638,1019 11,1031 17.418,1032 20.076,1034 0.238,1035 0.527,1036 0.527,1037 0.527,1038 0.527,1039 0.527,1040 3.597,1041 -2,1042 4.29,1043 -3.623,1044 3.045,1045 3.689,1047 4.89,1048 3.045,1049 4.781,1051 5.733,1052 -5.275,1053 2.565,1054 3.332,1056 5.38,1057 2.565,1058 6.039,1060 7.262,1062 4.443,1063 5.791,1065 8.238,1066 4.443,1067 7.327,1069 8.831,1071 4.615,1072 6.086,1074 9.383,1075 4.615,1076 8.636,1078 10.421,1080 6.061,1081 8.106,1083 11.781,1084 6.061,1085 9.959,1087 12.024,1089 6.553,1090 8.733,1092 13.216,1093 6.553,1094 11.292,1096 13.636,1098 7.785,1099 10.515,1101 15.413,1102 7.785,1103 2.562,1105 15.253,1107 8.454,1108 11.346,1110 17.01,1111 8.454,1112 2,1113 6.623,1114 16.876,1116 9.568,1117 12.976,1119 19.095,1120 9.568,1121 1,1122 5.275,1123 18.502,1124 3.589,1125 10.342,1126 13.944,1128 20.795,1129 10.342,1131 2.275,1132 20.131,1133 2.637,1134 11.388,1135 15.469,1137 22.811,1138 11.388,1139 -1,1141 21.763,1142 1.5,1143 12.226,1144 16.531,1146 24.578,1147 12.226,1148 -1,1149 -2.275,1150 23.397,1152 13.23,1153 17.983,1155 26.548,1156 13.23,1157 -1.562,1158 -3,1159 25.033,1160 -1.137,1161 14.109,1162 19.11,1164 28.359,1165 14.109,1166 274,1167 394,1168 4.97,1169 11.807,1170 11.408,1171 11.319,1172 11.765,1173 11.123,1174 11.123,1175 15.454,1177 28.347,1178 11.123,1179 4.478,1180 4.718,1181 4.65,1182 4.562,1183 4.562,1184 6.589,1186 11.898,1187 4.562,1188 3.627,1189 1.426,1190 1.415,1191 1.471,1192 1.39,1193 1.39,1194 1.932,1196 3.543,1197 1.39,1198 3.928,1199 3.961,1200 3.853,1201 3.875,1202 4.751,1203 3.866,1204 3.299,1205 3.38,1206 3.11,1207 3.165,1208 3.996,1209 3.142,1210 2.872,1211 2.995,1212 2.687,1213 2.735,1214 3.674,1215 2.715,1216 2.854,1217 2.925,1218 2.535,1219 2.641,1220 3.506,1221 2.598,1222 2.255,1223 2.366,1224 1.95,1225 2.047,1226 2.854,1227 2.008,1228 1.602,1229 1.802,1230 1.039,1231 1.217,1232 1.992,1233 1.144,1234 0.959,1235 1.207,1236 0.397,1237 0.574,1238 1.218,1239 0.501,1240 0.956,1241 1.207,1242 0.311,1243 0.534,1244 1.17,1245 0.445,1246 0.497,1247 0.34,1248 0.655,1249 0.445,1250 0.32,1251 3.978,1252 0.449,1253 2.718,1255 5.236,1256 0.828,1257 3.562,1258 0.32,1259 2.562,1260 3.589,1262 6.623,1263 2.562,1264 1.93,1265 1.901,1266 2.066,1267 2.01,1268 1.167,1269 2.031,1270 1.335,1271 1.261,1272 1.659,1273 1.531,1274 0.744,1275 1.579,1276 0.925,1277 0.821,1278 1.366,1279 1.204,1280 0.416,1281 1.267,1282 0.886,1283 0.807,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.304,1289 0.198,1290 0.721,1291 0.561,1293 0.622,1296 0.381,1297 0.133,1299 0.23,1312 2.833,1314 4.043,1316 5.451,1318 6.94,1320 8.463,1322 4.193,1340 10.634,1341 17.839,1342 39.549,1343 39.549,1344 39.549,1345 39.549,1346 39.549,1347 5.181,1348 4.143,1351 6,1352 10.383,1353 2.807,1354 2,1355 12.023,1356 14,1357 6,1358 0.597,1359 71.334,1360 115.78,1361 165.814,1362 182,1364 5.983,1365 0.748,1366 0.664,1367 5.983,1368 5.309,1369 3.788,1370 0.473,1371 0.353,1372 2.821,1373 3.788,1374 2.616,1375 2.279,1376 3.788,1377 2.821,1378 3.365,1379 0.337,1380 0.215,1381 3.365,1382 2.155,1383 2.305,1384 0.23,1385 0.122,1386 2.305,1387 1.218,1388 1.427,1389 0.143,1390 0.064,1391 1.427,1392 0.637,1393 1.305,1394 0.109,1395 0.044,1396 1.305,1397 0.526,1398 0.823,1399 22.726,1400 0.449,1401 7.663,1402 1.848,1403 36,1404 70,1405 36,1406 75.002,1407 102.86,1408 70,1409 38,1410 74,1411 38,1412 80.726,1413 110.1,1414 74,1415 5.31}
{0 CHEMBL316973,1 1.827,2 12.731,3 3.385,4 11.458,5 103.543,6 8.271,7 0.407,8 3.933,9 4.044,10 3.613,11 3.407,12 5.161,13 3.384,14 4.446,15 4.61,16 3.902,17 3.768,18 5.799,19 3.723,20 4.608,21 4.781,22 3.934,23 3.847,24 5.765,25 3.781,26 4.769,27 5.007,28 3.914,29 3.844,30 5.927,31 3.752,32 4.609,33 4.797,34 3.816,35 3.721,36 5.844,37 3.651,38 4.591,39 4.801,40 3.768,41 3.666,42 6.116,43 3.535,44 4.314,45 4.524,46 3.579,47 3.509,48 5.373,49 3.361,50 4.294,51 4.535,52 3.347,53 3.405,54 5.282,55 3.282,56 0.265,57 0.69,58 8.934,59 4.167,60 7.391,61 5.088,62 0.529,63 1.032,64 21.506,65 7.115,66 75.984,67 8.562,68 0.547,69 1.148,70 24.104,71 8.071,72 32.74,73 10.063,74 0.754,75 1.183,76 31.737,77 9.526,78 83.238,79 12.494,80 0.84,81 1.005,82 25,83 7.765,84 70.487,85 9.262,86 1.014,87 0.974,88 28.95,89 8.044,90 170.375,91 10.264,92 0.456,93 0.8,94 22.513,95 6.939,96 58.603,97 8.168,98 0.454,99 0.755,100 24.545,101 6.327,102 54.261,103 8.037,104 47,105 36,106 0.314,107 0.593,108 0.758,109 0.809,110 0.839,111 0.839,112 3.302,113 0.999,114 -3.49,115 -3.47,116 -3.31,121 34.8,126 2,127 4,144 5,146 3,154 2,168 4,176 2,179 2,180 5,185 1,187 1,191 1,192 10,195 1,197 3,200 2,205 1,206 6,209 2,214 1,218 4,219 2,222 1,227 1,231 4,232 2,235 3,237 1,239 2,244 2,249 1,256 2,264 1,268 1,269 5,272 1,277 3,281 1050,282 16.913,283 16.913,284 16.913,285 16.913,286 16.913,287 14.987,288 25.912,289 10.19,290 17.409,291 13.329,292 13.329,293 13.329,294 13.329,295 13.329,296 10.413,297 36.198,298 4.846,299 14.065,300 3.697,301 2.071,302 1.111,303 0.815,304 0.642,305 0.642,306 3.964,310 1,311 1,312 1,313 674,314 4.183,317 87.163,318 101.837,325 1.849,326 36.582,329 1,330 0.67,331 0.83,332 0.8,333 0.5,334 0.83,335 1,336 0.8,337 59,338 331,339 4.461,340 4.25,341 6.45,342 4.001,343 3.031,344 4.212,345 3.272,346 9.94,347 2.936,348 4.124,349 3.83,350 5.848,351 3.75,352 2.763,353 3.735,354 2.612,355 7.971,356 2.728,357 4.081,358 3.75,359 5.675,360 3.53,361 2.568,362 3.685,363 2.612,364 7.89,365 2.466,366 3.532,367 2.998,368 5.03,369 3.178,370 2.244,371 2.913,372 0.916,373 6.084,374 2.097,375 3.37,376 2.747,377 4.918,378 2.97,379 2.016,380 2.507,381 0.4,382 5.35,383 1.922,384 2.975,385 2.659,386 4.338,387 2.697,388 1.779,389 2.083,390 0.172,391 4.342,392 1.63,393 2.912,394 2.247,395 3.869,396 2.459,397 1.528,398 1.952,400 3.32,401 1.407,402 2.63,403 1.965,404 3.677,405 2.22,406 1.255,407 1.619,409 2.95,410 1.196,411 2.588,412 1.718,413 3.594,414 2,415 1,416 1.586,418 2.414,419 1,420 2.215,421 1.414,422 3.284,423 1.778,424 0.833,425 1.094,427 1.884,428 0.776,429 1.905,430 1.081,431 3.118,432 1.587,433 0.67,434 0.825,436 1.563,437 0.605,438 1.276,439 1,440 2.61,441 0.986,442 0.058,443 0.067,445 0.138,446 0.052,447 1,448 1,449 2.356,450 0.649,451 -0.303,452 -0.342,454 -0.794,455 -0.287,456 1,457 0.758,458 2.32,459 0.417,460 -0.505,461 -0.599,463 -1.223,464 -0.455,465 0.868,466 0.127,467 2.091,468 0.169,469 -0.819,470 -1,472 -2,473 -0.806,474 12.1,475 0.465,476 0.723,477 0.028,478 33.25,479 1.279,480 16.5,481 0.635,482 16.75,483 0.644,484 20.285,485 0.78,486 29.9,487 0.65,488 24.82,489 0.955,490 6.402,491 0.246,492 5.961,493 0.229,494 0.193,496 0.306,501 0.442,502 1.302,503 0.705,504 1.029,505 0.483,506 1.014,507 0.698,508 1.14,509 1.104,510 1.164,511 0.353,512 0.952,513 0.865,514 1.278,515 1.057,516 1.279,517 0.549,518 1.212,519 0.8,520 0.966,521 0.852,522 0.953,523 0.814,524 0.905,525 1.223,526 0.862,527 1.074,528 0.917,529 1.112,530 1.02,531 0.699,532 0.967,533 1.174,534 1.142,535 0.706,536 1.1,537 0.874,538 1.151,539 1.246,540 1.324,541 0.913,542 1.158,543 0.843,544 1.006,545 1.393,546 1.288,547 0.749,548 0.964,549 6,550 0.131,551 2.444,552 1.757,553 1.218,554 1.08,555 0.279,556 0.24,557 0.181,558 0.16,559 8452,560 30316,561 1.931,562 43.5,564 19,567 1,572 1.683,573 1.773,574 3.599,575 -0.18,576 1,577 1,582 84.036,583 1.827,584 3.452,585 4.412,586 4.708,587 4.882,588 4.882,589 3.023,590 4.239,591 4.673,592 3.82,593 1241.42,594 8.056,595 16901.2,597 1,599 1,600 254.084,601 1.526,602 4.606,603 0.222,604 0.007,605 0.068,606 0.052,607 0.037,608 0.037,609 0.012,610 0.013,611 0.01,612 0.008,613 0.464,614 0.33,615 1,616 1.209,617 131.688,618 0.226,619 -0.022,620 0.075,621 0.035,622 0.021,623 -0.029,624 0.071,625 0.025,626 -0.05,627 -0.011,628 0.265,629 0.062,630 -0.06,631 -0.19,632 -0.108,633 -0.218,634 0.014,635 -0.207,636 0.041,637 -0.036,638 0.154,639 0.032,640 0.025,641 0.116,642 -0.11,643 0.111,644 -0.096,645 0.057,646 -0.128,647 -0.066,648 0.305,649 -0.014,650 0.007,651 -0.026,652 0.38,653 -0.081,654 -0.068,655 -0.134,656 0.015,657 -0.076,658 -0.091,659 -0.082,660 -0.068,661 -0.015,662 -0.093,663 -0.072,664 -0.034,665 0.109,666 2.652,667 4.071,668 0.423,669 26.598,670 1.026,671 1.137,672 2.26,673 5.107,674 0.653,675 3.332,676 3.611,677 3.761,678 3.951,679 4.043,680 4.06,681 3.97,682 3.761,683 3.689,684 3.761,685 7.601,686 0.632,687 380.47,688 3.332,689 4.844,690 5.645,691 6.494,692 7.319,693 8.171,694 9.005,695 9.858,696 10.697,697 11.55,698 8.7,701 1,703 1,709 2,715 5,718 1,720 5,722 11,734 1,735 2,741 46,743 15,744 1,745 27,747 47,748 16,749 10,750 3,751 3,756 2,757 2,772 10,773 6,777 4,779 2,782 4,789 1,790 1,792 1,793 20,794 7,795 1,796 10,797 1,802 4,808 1,809 5,828 1,829 1,855 1,859 2,860 1,862 1,864 2,868 26,876 4,877 1,879 1,881 1,893 10.9,898 1,899 4,901 14.667,902 8.767,903 5.833,904 2.456,907 2.226,908 1.332,909 0.918,910 7.597,911 8.923,912 3.624,913 4.186,914 4.616,915 5.118,916 5.47,917 5.7,918 5.764,919 5.524,920 5.202,921 5.397,922 1,923 34,924 9.597,926 3.986,927 0.026,929 8.199,931 17.627,933 13.6,936 2.699,937 70.167,940 1,941 223.651,942 121.572,943 32.475,945 111.001,947 32.22,948 89.353,949 334.652,950 32.475,951 28.133,952 6.011,953 47.381,954 18.011,955 20.902,956 10.898,957 255.87,958 101.494,959 223.651,960 121.828,961 111.001,962 32.22,964 223.651,965 9.507,966 101.494,968 9.135,969 83.342,970 29.351,971 32.22,972 223.651,973 143.476,974 121.572,977 223.651,978 57.398,979 78.638,980 18.011,981 111.001,982 223.651,983 143.476,984 121.572,986 0.574,987 0.308,988 0.161,989 0.086,990 14,991 8,992 0.213,993 10,995 1,996 3.842,997 192.027,999 11,1000 114.211,1001 1,1005 20.391,1006 9.687,1007 6.396,1009 132.136,1010 7.47,1013 5.709,1015 1.456,1017 18.011,1018 488.699,1019 36.5,1021 -1.28,1024 43.601,1031 47.189,1032 52.282,1034 0.331,1035 0.625,1036 0.799,1037 0.852,1038 0.884,1039 0.884,1040 4.834,1041 1.255,1042 5.624,1043 3.32,1044 4.29,1045 4.871,1046 3.842,1047 6.368,1048 4.203,1049 6.036,1050 1,1051 7.149,1052 2.95,1053 3.892,1054 4.808,1055 3.025,1056 7.177,1057 3.793,1058 7.337,1059 0.833,1060 8.773,1061 2.414,1062 5.82,1063 7.044,1064 5.877,1065 10.205,1066 5.669,1067 8.673,1068 0.67,1069 10.454,1070 1.884,1071 6.196,1072 7.787,1073 5.197,1074 11.836,1075 6.039,1076 10.041,1077 0.058,1078 12.172,1079 1.563,1080 7.624,1081 9.524,1082 8.078,1083 14.378,1084 7.425,1085 11.429,1086 -0.303,1087 13.917,1088 0.138,1089 8.36,1090 10.615,1091 7.249,1092 16.363,1093 8.15,1094 12.834,1095 -0.505,1096 15.68,1097 -0.794,1098 9.582,1099 12.161,1100 10.347,1101 18.732,1102 9.339,1103 3.031,1104 -0.819,1105 17.459,1106 -1.223,1107 10.494,1108 13.413,1109 9.241,1110 20.878,1111 10.233,1112 2.763,1113 9.94,1114 19.249,1115 -2,1116 11.63,1117 14.88,1118 12.655,1119 23.186,1120 11.339,1121 2.568,1122 7.971,1123 21.048,1124 4.212,1125 12.628,1126 16.209,1127 11.202,1128 25.407,1129 12.314,1130 2.244,1131 7.89,1132 22.855,1133 3.735,1134 13.729,1135 17.644,1136 14.987,1137 27.696,1138 13.386,1139 2.016,1140 6.084,1141 24.669,1142 3.685,1143 14.771,1144 19.013,1145 13.145,1146 29.952,1147 14.402,1148 1.779,1149 5.35,1150 26.488,1151 2.913,1152 15.861,1153 20.436,1154 17.333,1155 32.238,1156 15.463,1157 1.528,1158 4.342,1159 28.313,1160 2.507,1161 16.926,1162 21.828,1163 15.079,1164 34.512,1165 16.499,1166 8575,1167 16535,1168 17.107,1169 30.034,1170 39.845,1171 44.107,1172 40.935,1173 39.465,1174 39.491,1175 52.554,1176 19.972,1177 107.69,1178 37.634,1179 5.382,1180 6.25,1181 6.218,1182 5.112,1183 5.031,1184 7.212,1185 6.545,1186 16.437,1187 4.936,1188 16.78,1189 1.476,1190 1.634,1191 1.516,1192 1.462,1193 1.463,1194 1.946,1195 0.74,1196 3.989,1197 1.394,1198 4.049,1199 4.076,1200 4.036,1201 3.89,1202 7.819,1203 3.909,1204 3.942,1205 3.955,1206 3.966,1207 3.802,1208 7.811,1209 3.811,1210 3.656,1211 3.685,1212 3.719,1213 3.463,1214 6.999,1215 3.402,1216 3.567,1217 3.639,1218 3.647,1219 3.287,1220 6.999,1221 3.299,1222 3.511,1223 3.577,1224 3.377,1225 3.138,1226 5.034,1227 3.234,1228 3.304,1229 3.332,1230 3.32,1231 2.979,1232 4.67,1233 3.018,1234 3.057,1235 3.13,1236 3.004,1237 2.86,1238 4.272,1239 2.862,1240 2.874,1241 3.009,1242 2.622,1243 2.618,1244 4.117,1245 2.57,1246 0.165,1247 0.157,1248 0.239,1249 0.148,1250 0.112,1251 4.461,1252 0.156,1253 4.25,1254 0.121,1255 6.45,1256 0.368,1257 4.001,1258 0.109,1259 3.031,1260 4.212,1261 3.272,1262 9.94,1263 2.936,1264 1.939,1265 1.913,1266 2.013,1267 2.14,1268 1.161,1269 2.088,1270 1.648,1271 1.592,1272 1.868,1273 1.882,1274 1.053,1275 1.881,1276 1.6,1277 1.57,1278 1.745,1279 1.844,1280 1.031,1281 1.786,1282 1.441,1283 1.382,1284 1.663,1285 1.747,1286 0.852,1287 1.68,1288 1.296,1289 1.255,1290 1.526,1291 1.644,1292 0.657,1293 1.627,1294 1.26,1295 1.213,1296 1.417,1297 1.53,1298 0.469,1299 1.534,1300 1.073,1301 1.038,1302 1.306,1303 1.455,1304 0.363,1305 1.395,1306 0.934,1307 0.804,1308 1.226,1309 1.239,1310 0.24,1311 1.308,1312 4.007,1314 5.293,1315 2.398,1316 6.742,1317 4.595,1318 8.274,1319 6.555,1320 9.857,1322 3.944,1328 2.653,1329 2.956,1331 1.632,1333 2.025,1340 29.061,1341 84.036,1342 158.807,1343 202.964,1344 216.574,1345 224.574,1346 224.574,1347 74.226,1348 6.697,1349 120.05,1350 145.35,1351 11,1352 12.109,1353 4,1354 3.392,1355 55.55,1356 121,1357 108,1358 0.223,1359 187.259,1360 326.82,1361 448.671,1362 7204,1364 19.104,1365 0.735,1366 0.589,1367 19.458,1368 15.323,1369 12.363,1370 0.458,1371 0.333,1372 7.758,1373 11.067,1374 7.421,1375 6.203,1376 12.863,1377 8.988,1378 11.298,1379 0.314,1380 0.192,1381 11.796,1382 6.906,1383 8.03,1384 0.191,1385 0.104,1386 8.586,1387 4.366,1388 6.42,1389 0.126,1390 0.059,1391 6.928,1392 3.008,1393 4.642,1394 0.083,1395 0.035,1396 5.156,1397 1.98,1398 0.366,1399 85.028,1400 0.242,1401 25.922,1402 0.568,1403 126,1404 504.806,1405 164.639,1406 491.927,1407 630.43,1408 450,1409 141,1410 436.473,1411 176.57,1412 436.786,1413 619.23,1414 402,1415 6.699}
{0 CHEMBL317162,1 1.455,2 9.577,3 3.934,4 15.476,5 103.009,6 6.892,7 0.414,8 4.025,9 4.151,10 3.539,11 3.548,12 5.041,13 3.518,14 4.603,15 4.795,16 3.945,17 3.986,18 5.591,19 3.937,20 4.859,21 5.051,22 4.026,23 4.188,24 5.757,25 4.102,26 5.057,27 5.308,28 3.958,29 4.235,30 5.89,31 4.116,32 4.99,33 5.225,34 3.942,35 4.228,36 5.848,37 4.097,38 5.032,39 5.296,40 3.896,41 4.198,42 5.848,43 4.061,44 4.895,45 5.128,46 3.79,47 4.096,48 5.807,49 3.956,50 4.856,51 5.13,52 3.478,53 3.868,54 5.762,55 3.7,56 0.032,57 0.747,58 11.558,59 4.727,60 8.62,61 6.551,62 0.407,63 1.25,64 22.239,65 7.796,66 33.963,67 11.242,68 0.174,69 1.557,70 28.394,71 10.898,72 27.496,73 15.38,74 0.411,75 1.77,76 36.506,77 12.201,78 45.631,79 17.903,80 0.26,81 1.668,82 33.172,83 12.796,84 35.362,85 18.319,86 0.38,87 1.638,88 35.701,89 13.203,90 42.586,91 18.893,92 0.274,93 1.481,94 30.343,95 11.742,96 36.757,97 16.575,98 0.432,99 1.309,100 30.75,101 10.215,102 52.957,103 14.758,104 20,105 43,106 0.245,107 0.573,108 0.768,109 0.854,110 0.863,111 0.863,112 3.306,113 0.939,114 -4.26,115 -4.2,116 -3.97,121 41.2,122 1,123 1,125 1,126 2,127 2,130 1,144 8,145 2,146 2,161 1,176 11,179 2,180 8,183 2,187 12,192 10,200 8,206 8,211 2,214 6,218 1,219 8,224 2,227 12,231 1,232 3,237 1,239 14,243 1,244 4,247 1,249 2,251 11,255 1,256 2,259 1,264 4,269 3,274 1,281 920,282 17.557,283 17.557,284 17.557,285 17.557,286 17.557,287 15.99,288 25.345,289 10.148,290 17.937,291 14.247,292 14.247,293 14.247,294 14.247,295 14.247,296 11.831,297 34.993,298 4.759,299 14.819,300 4.217,301 2.275,302 1.118,303 0.608,304 0.554,305 0.554,306 3.999,310 1,311 1,312 1,313 538,314 3.536,317 91.329,318 124.46,320 74.227,321 82.204,324 112.225,325 1.698,326 17.268,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 55.5,338 249,339 4.839,340 3.983,341 8.013,342 4.72,343 3.744,344 4.211,345 2.186,346 15.366,347 3.661,348 3.981,349 3.658,350 6.289,351 3.656,352 2.696,353 3.453,354 1.013,355 9.221,356 2.598,357 3.924,358 2.949,359 6.211,360 3.594,361 2.635,362 3.315,363 0.763,364 8.691,365 2.524,366 3.668,367 2.818,368 5.451,369 3.331,370 2.381,371 2.88,372 0.366,373 7.158,374 2.249,375 3.474,376 2.561,377 5.331,378 3.271,379 2.317,380 2.609,381 0.191,382 6.862,383 2.181,384 3.297,385 2.458,386 4.853,387 2.951,388 1.988,389 2.428,391 5.298,392 1.897,393 2.917,394 1.777,395 4.68,396 2.533,397 1.561,398 2.074,400 4.488,401 1.516,402 2.608,403 1.507,404 4.214,405 2.345,406 1.372,407 1.625,409 3.132,410 1.329,411 2.517,412 1.171,413 3.91,414 2.127,415 1.133,416 1.522,418 3.023,419 1.125,420 2.5,421 1.106,422 3.549,423 2,424 1,425 1.5,427 2.136,428 1,429 1.823,430 1,431 3.247,432 1.723,433 0.757,434 0.797,436 1.983,437 0.729,438 1.512,439 0.921,440 3.13,441 1.31,442 0.397,443 0.423,445 0.621,446 0.358,447 1.295,448 0.673,449 2.938,450 0.959,451 -0.011,452 -0.012,454 -0.026,455 -0.01,456 1.063,457 0.232,458 2.7,459 0.818,460 -0.147,461 -0.17,463 -0.344,464 -0.139,465 0.673,466 -0.115,467 2.549,468 0.411,469 -0.562,470 -0.659,472 -1.423,473 -0.542,474 12.367,475 0.476,476 0.733,477 0.028,478 31.75,479 1.221,480 14.5,481 0.558,482 17.25,483 0.663,484 23.735,485 0.913,486 28.433,487 0.558,488 23.519,489 0.905,490 6.223,491 0.239,492 6.302,493 0.242,494 0.148,495 0.04,496 0.307,501 0.812,502 1.438,503 0.842,504 1.17,505 0.62,506 1.03,507 0.756,508 0.859,509 0.851,510 0.792,511 0.435,512 0.809,513 0.952,514 1.345,515 1.046,516 1.228,517 0.686,518 1.164,519 1.181,520 0.92,521 1.082,522 0.904,523 0.888,524 0.958,525 0.706,526 1.129,527 1.008,528 1.16,529 0.731,530 1.129,531 0.883,532 0.845,533 0.881,534 0.88,535 0.711,536 0.886,537 0.805,538 1.172,539 1.074,540 1.244,541 0.852,542 1.21,543 1.264,544 0.932,545 1.131,546 1.01,547 1.665,548 1.053,549 6,550 0.054,551 3.556,552 3.083,553 1.602,554 1.205,555 0.776,556 0.482,557 0.275,558 0.115,559 7156,560 16818,561 2.092,562 49,563 3,564 18,565 1,567 1,569 2,572 1.697,573 1.938,574 3.176,575 -0.37,577 1,582 74.204,583 1.455,584 3.398,585 4.554,586 5.064,587 5.118,588 5.118,589 2.738,590 4.393,591 4.662,592 3.348,593 1088.11,594 8.121,595 12919.8,597 1,599 1,600 289.294,601 1.619,602 4.616,603 0.207,604 0.006,605 0.083,606 0.069,607 0.039,608 0.03,609 0.02,610 0.015,611 0.013,612 0.01,613 0.49,614 0.33,615 1,616 1.139,617 124.311,618 -0.003,619 -0.221,620 0.075,621 -0.08,622 -0.035,623 -0.007,624 0.254,625 0.304,626 0.12,627 0.204,628 0.213,629 0.16,630 -0.062,631 -0.266,632 -0.101,633 -0.191,634 -0.001,635 -0.16,636 -0.171,637 0.102,638 -0.095,639 0.053,640 -0.05,641 0.003,642 0.036,643 -0.127,644 -0.065,645 -0.14,647 -0.119,648 0.012,649 0.088,650 0.092,651 0.117,652 -0.02,653 0.114,654 0.055,655 -0.194,656 -0.121,657 -0.224,658 -0.02,659 -0.204,660 -0.056,661 -0.017,662 -0.116,663 -0.07,664 -0.155,665 -0.099,666 2.102,667 4.595,668 0.692,669 23.982,670 0.994,671 1.127,672 3.034,673 9.203,674 0.653,675 3.401,676 3.784,677 4.127,678 4.489,679 4.762,680 4.92,681 5.159,682 5.303,683 5.357,684 5.389,685 5.59,686 0.614,687 351.49,688 3.401,689 4.977,690 5.866,691 6.797,692 7.719,693 8.666,694 9.606,695 10.563,696 11.513,697 12.476,698 5.9,701 1,704 1,705 1,715 8,720 4,722 12,736 1,737 1,741 51,743 13,744 2,745 29,747 54,748 21,749 12,750 4,751 8,756 4,757 7,763 1,764 1,766 1,767 1,770 1,772 13,773 8,777 1,782 1,786 1,790 1,793 25,794 5,795 1,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 3,868 26,876 3,877 1,878 1,880 1,881 2,882 1,893 3.9,896 1,898 1,901 13.417,902 9.983,903 5.653,904 3.035,907 2.178,908 1.284,909 0.967,910 4.412,911 9.855,912 3.611,913 4.174,914 4.7,915 5.252,916 5.776,917 5.996,918 6.42,919 6.776,920 7.017,921 7.237,922 0.857,923 45,924 9.627,926 4.115,927 0.026,929 7.593,931 18.82,933 16.001,936 2.093,937 54.417,939 1,940 1,941 282.506,942 129.308,943 24.259,945 36.145,948 129.308,949 318.651,950 24.259,951 25.618,952 24.757,953 75.81,954 25.145,955 31.62,956 18.534,957 270.735,959 282.506,960 153.567,961 36.145,964 258.964,965 59.687,968 36.706,969 116.861,972 282.506,973 60.404,974 129.308,977 282.506,978 27.88,979 107.677,980 18.011,981 36.145,982 282.506,983 60.404,984 129.308,986 0.589,987 0.354,988 0.196,989 0.112,990 23,991 10,992 0.074,993 4,994 2,995 1.222,996 3.659,997 235.743,998 0.222,999 18,1000 118.211,1005 17.379,1006 6.6,1007 2.908,1009 60.404,1010 16.594,1015 4.397,1017 18.011,1018 472.218,1019 36,1024 11.595,1028 -0.436,1031 50.68,1032 57.481,1034 0.256,1035 0.599,1036 0.803,1037 0.893,1038 0.902,1039 0.902,1040 4.898,1041 1.372,1042 5.905,1043 4.488,1044 4.466,1045 4.86,1046 2.511,1047 6.849,1048 4.391,1049 6.108,1050 1.133,1051 7.549,1052 3.132,1053 4.29,1054 4.691,1055 1.905,1056 8.233,1057 4.19,1058 7.441,1059 1,1060 9.315,1061 3.023,1062 6.213,1063 6.963,1064 3.546,1065 11.414,1066 6.076,1067 8.811,1068 0.757,1069 11.161,1070 2.136,1071 6.899,1072 7.57,1073 3.617,1074 13.712,1075 6.748,1076 10.219,1077 0.397,1078 13.064,1079 1.983,1080 8.363,1081 9.376,1082 4.916,1083 16.544,1084 8.188,1085 11.657,1086 -0.011,1087 15.01,1088 0.621,1089 9.428,1090 10.355,1091 5.294,1092 19.149,1093 9.241,1094 13.119,1095 -0.147,1096 16.987,1097 -0.026,1098 10.764,1099 11.969,1100 6.389,1101 21.904,1102 10.557,1103 3.744,1104 -0.562,1105 18.988,1106 -0.344,1107 11.985,1108 13.148,1109 6.931,1110 24.599,1111 11.763,1112 2.696,1113 15.366,1114 21.009,1115 -1.423,1116 13.295,1117 14.668,1118 7.902,1119 27.336,1120 13.054,1121 2.635,1122 9.221,1123 23.043,1124 4.211,1125 14.575,1126 15.96,1127 8.539,1128 30.058,1129 14.317,1130 2.381,1131 8.691,1132 25.089,1133 3.453,1134 15.885,1135 17.435,1136 9.436,1137 32.791,1138 15.607,1139 2.317,1140 7.158,1141 27.143,1142 3.315,1143 17.189,1144 18.79,1145 10.13,1146 35.52,1147 16.89,1148 1.988,1149 6.862,1150 29.203,1151 2.88,1152 18.502,1153 20.243,1154 10.981,1155 38.252,1156 18.183,1157 1.561,1158 5.298,1159 31.268,1160 2.609,1161 19.815,1162 21.633,1163 11.71,1164 40.983,1165 19.475,1166 6945,1167 10742,1168 19.186,1169 33.302,1170 44.433,1171 45.384,1172 46.582,1173 43.948,1174 43.966,1175 53.673,1176 9.039,1177 135.958,1178 42.335,1179 5.81,1180 5.983,1181 7.815,1182 5.785,1183 5.744,1184 7.211,1185 3.889,1186 23.914,1187 5.661,1188 12.824,1189 1.532,1190 1.565,1191 1.606,1192 1.515,1193 1.516,1194 1.851,1195 0.312,1196 4.688,1197 1.46,1198 4.103,1199 4.141,1200 4.051,1201 4.008,1202 7.435,1203 4.014,1204 3.881,1205 3.913,1206 3.808,1207 3.826,1208 4.844,1209 3.818,1210 3.71,1211 3.751,1212 3.629,1213 3.564,1214 4.736,1215 3.568,1216 3.517,1217 3.583,1218 3.422,1219 3.211,1220 4.438,1221 3.255,1222 3.266,1223 3.346,1224 3.133,1225 3.092,1226 4.224,1227 3.091,1228 3.243,1229 3.334,1230 3.041,1231 3.036,1232 4.025,1233 3.024,1234 2.989,1235 3.094,1236 2.809,1237 2.788,1238 3.885,1239 2.774,1240 2.973,1241 3.023,1242 2.705,1243 2.742,1244 3.796,1245 2.728,1246 0.167,1247 0.137,1248 0.276,1249 0.163,1250 0.129,1251 4.839,1252 0.145,1253 3.983,1254 0.075,1255 8.013,1256 0.53,1257 4.72,1258 0.126,1259 3.744,1260 4.211,1261 2.186,1262 15.366,1263 3.661,1264 1.928,1265 1.902,1266 2.046,1267 2.023,1268 1.31,1269 2.03,1270 1.885,1271 1.862,1272 1.998,1273 1.968,1274 1.192,1275 1.978,1276 1.615,1277 1.565,1278 1.81,1279 1.803,1280 1.02,1281 1.804,1282 1.532,1283 1.45,1284 1.781,1285 1.771,1286 0.995,1287 1.78,1288 1.399,1289 1.326,1290 1.688,1291 1.71,1292 0.683,1293 1.708,1294 1.209,1295 1.137,1296 1.483,1297 1.429,1298 0.652,1299 1.451,1300 1.015,1301 0.9,1302 1.453,1303 1.291,1304 0.563,1305 1.354,1306 0.902,1307 0.861,1308 1.181,1309 1.207,1310 0.361,1311 1.176,1312 4.078,1314 5.442,1315 3.045,1316 7.011,1317 5.638,1318 8.681,1319 7.928,1320 10.414,1322 6.094,1328 3.024,1329 2.506,1330 5.38,1332 0.313,1333 4.92,1334 0.029,1340 31.289,1341 74.204,1342 173.294,1343 232.274,1344 258.274,1345 261.029,1346 261.029,1347 37.056,1348 7.677,1349 44.81,1350 44.81,1351 22,1352 12.96,1353 3.807,1354 3,1355 37.783,1356 87,1357 100,1358 0.225,1359 190.52,1360 332.72,1361 456.628,1362 20365,1364 18.311,1365 0.704,1366 0.597,1367 18.311,1368 15.528,1369 12.525,1370 0.432,1371 0.313,1372 8.949,1373 12.062,1374 8.621,1375 7.18,1376 12.525,1377 9.077,1378 11.65,1379 0.271,1380 0.173,1381 11.65,1382 7.454,1383 10.146,1384 0.166,1385 0.095,1386 10.146,1387 5.77,1388 8.776,1389 0.1,1390 0.051,1391 8.776,1392 4.53,1393 7.378,1394 0.064,1395 0.028,1396 7.378,1397 3.296,1398 0.339,1399 78.299,1400 0.228,1401 24.531,1402 0.66,1403 144,1404 363.094,1405 157.025,1406 351.093,1407 489.18,1408 330,1409 176,1410 369.599,1411 189.475,1412 376.266,1413 557.04,1414 352,1415 5.546}
{0 CHEMBL317541,1 1.526,2 13.44,3 3.583,4 12.84,5 105.845,6 6.733,7 0.231,8 4.039,9 4.179,10 3.506,11 3.53,12 4.994,13 3.47,14 4.625,15 4.833,16 3.806,17 3.898,18 5.533,19 3.798,20 4.908,21 5.166,22 3.811,23 4.06,24 5.744,25 3.898,26 4.929,27 5.204,28 3.785,29 4.004,30 5.82,31 3.82,32 4.896,33 5.193,34 3.678,35 3.889,36 5.718,37 3.701,38 4.724,39 5.004,40 3.544,41 3.782,42 5.534,43 3.589,44 4.594,45 4.863,46 3.426,47 3.682,48 5.457,49 3.484,50 4.499,51 4.78,52 3.275,53 3.582,54 5.254,55 3.393,56 0.05,57 0.764,58 12.934,59 5.083,60 6.373,61 7.231,62 0.313,63 1.211,64 25.318,65 7.983,66 25.86,67 11.967,68 0.415,69 1.452,70 34.641,71 11.398,72 37.475,73 16.11,74 0.366,75 1.421,76 36.735,77 11.606,78 53.24,79 16.295,80 0.459,81 1.291,82 36.414,83 10.713,84 47.827,85 15.002,86 0.356,87 1.122,88 30.582,89 9.577,90 36.02,91 12.9,92 0.377,93 1.008,94 28.024,95 8.666,96 41.148,97 11.571,98 0.243,99 0.937,100 24.374,101 7.457,102 23.12,103 10.64,104 10,105 32,106 0.258,107 0.539,108 0.72,109 0.802,110 0.84,111 0.84,112 3.265,113 1.096,114 -3.3,115 -3.29,116 -3.15,121 35.2,123 5,126 1,127 4,129 1,144 5,145 1,160 1,161 1,176 10,180 3,183 1,184 1,185 1,187 10,191 1,192 4,195 1,197 2,200 5,206 3,209 1,211 3,219 3,222 1,224 3,232 2,235 1,237 2,243 1,244 2,249 1,256 2,259 1,261 2,269 2,274 2,281 977,282 16.933,283 16.933,284 16.933,285 16.933,286 16.933,287 15.935,288 16.984,289 10.702,290 17.39,291 12.855,292 12.855,293 12.855,294 12.855,295 12.855,296 11.329,297 20.126,298 5.134,299 13.558,300 4.229,301 2.573,302 1.502,303 1.019,304 0.792,305 0.792,306 3.933,310 1,311 1,312 1,313 697,314 4.123,318 208.304,325 2.067,326 19.645,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 53.5,338 336,339 4.162,340 3.833,341 6.042,342 3.812,343 2.817,344 3.68,345 1.773,346 8.643,347 2.805,348 3.783,349 3.461,350 6.018,351 3.729,352 2.783,353 2.87,354 0.99,355 8.537,356 2.636,357 3.637,358 3.034,359 5.046,360 3.193,361 2.304,362 2.783,363 0.86,364 6.099,365 2.041,366 3.198,367 2.378,368 4.324,369 2.849,370 1.901,371 2.412,372 0.8,373 4.326,374 1.802,375 2.901,376 2.181,377 4.161,378 2.733,379 1.746,380 1.902,381 0.14,382 3.912,383 1.71,384 2.676,385 1.916,386 3.735,387 2.532,388 1.618,389 1.676,391 3.362,392 1.458,393 2.545,394 1.552,395 3.492,396 2.197,397 1.23,398 1.5,400 2.712,401 1.184,402 2.5,403 1.324,404 3.403,405 2.02,406 1.03,407 1.483,409 2.423,410 1.008,411 2.238,412 1.202,413 3.247,414 2,415 1,416 1.22,418 2.136,419 1,420 2,421 1,422 3.247,423 2,424 1,425 1,427 2.136,428 1,429 1.894,430 1,431 3.053,432 1.755,433 0.827,434 0.867,436 1.785,437 0.758,438 1.256,439 0.905,440 2.606,441 1.103,442 0.196,443 0.202,445 0.414,446 0.176,447 1,448 0.665,449 2.256,450 0.515,451 -0.43,452 -0.469,454 -1.023,455 -0.4,456 0.742,457 -0.033,458 1.893,459 0.283,460 -0.618,461 -0.732,463 -1.351,464 -0.524,465 0.543,466 -0.346,467 1.579,468 0.26,469 -0.757,470 -0.788,472 -1.614,473 -0.729,474 12.2,475 0.488,476 0.421,477 0.017,478 24,479 0.96,480 8.5,481 0.34,482 15.5,483 0.62,484 24.143,485 0.966,486 29.2,487 0.541,488 16.327,489 0.653,490 4.665,491 0.187,492 7.5,493 0.3,494 0.137,496 0.197,501 0.854,502 1.461,503 0.803,504 1.119,505 0.593,506 1.129,507 1.095,508 1.174,509 0.897,510 1.017,511 0.614,512 1.08,513 0.987,514 0.999,515 0.967,516 0.963,517 0.803,518 1.013,519 0.909,520 1.094,521 0.938,522 1.058,523 0.887,524 1.032,525 1.179,526 0.83,527 0.895,528 0.835,529 0.993,530 0.819,531 1.324,532 0.841,533 1.021,534 0.885,535 1.111,536 0.893,537 1.144,538 1.002,539 1.204,540 1.068,541 0.972,542 0.984,543 0.879,544 1.018,545 1.072,546 1.086,547 0.621,548 1.02,549 3.5,550 0.074,551 2.222,552 1.25,553 0.702,554 0.528,555 0.224,556 0.146,557 0.115,558 0.091,559 8602,560 19125,561 1.996,562 53.7,563 6,564 17,567 2,569 4,572 1.669,573 1.899,574 3.709,575 0.273,577 1,582 82.417,583 1.526,584 3.182,585 4.253,586 4.736,587 4.963,588 4.963,589 3.094,590 4.164,591 4.62,592 3.892,593 1167.58,594 7.929,595 16063.2,597 1,599 1,600 310.764,601 1.21,602 4.589,603 0.135,604 0.005,605 0.069,606 0.04,607 0.026,608 0.022,609 0.011,610 0.008,611 0.007,612 0.005,613 0.328,614 0.33,615 1,616 0.553,617 126.795,618 -0.018,619 -0.192,620 0.027,621 -0.074,622 -0.001,623 -0.028,624 0.012,625 -0.053,626 -0.021,627 -0.071,628 0.08,629 -0.08,630 0.019,631 0.007,632 -0.034,633 -0.012,634 0.042,635 -0.035,636 0.064,637 -0.131,638 0.036,639 -0.095,640 0.165,641 -0.062,642 0.009,643 0.073,644 0.111,645 0.092,646 0.045,647 0.11,648 -0.092,649 0.092,650 0.032,651 0.094,652 -0.068,653 0.057,654 0.044,655 -0.035,656 -0.05,657 -0.006,658 0.029,659 -0.009,660 0.007,661 -0.038,662 -0.049,663 -0.096,664 -0.006,665 -0.047,666 1.867,667 4.94,668 0.48,669 25.523,670 0.991,671 1.134,672 2.071,673 4.291,674 0.638,675 3.296,676 3.497,677 3.638,678 3.738,679 3.807,680 3.584,681 3.555,682 3.401,683 3.401,684 3.296,685 7.988,686 0.584,687 363.58,688 3.296,689 4.762,690 5.541,691 6.344,692 7.136,693 7.943,694 8.74,695 9.548,696 10.348,697 11.156,698 5.6,701 1,705 2,715 5,720 1,722 6,741 54,743 8,744 1,745 26,747 55,748 19,749 6,750 1,751 5,752 1,756 2,757 2,761 1,767 6,770 6,772 8,773 11,777 2,782 1,783 1,786 2,789 1,790 1,793 29,794 5,795 2,796 6,797 1,802 3,805 1,808 1,809 2,829 2,855 1,858 1,859 2,862 1,864 1,868 25,876 9,877 2,878 1,880 1,881 1,893 3.7,896 1,897 1,901 13.167,902 9.45,903 5.806,904 3.436,907 0.964,908 1.152,909 0.922,910 9.225,911 7.311,912 3.466,913 3.818,914 4.139,915 4.473,916 4.774,917 4.531,918 4.668,919 4.38,920 4.51,921 4.087,922 0.889,923 31,924 9.277,926 3.698,927 0.026,929 7.62,931 18.188,933 14.356,936 2.12,937 53,939 1,940 1,941 317.82,942 135.213,943 39.146,945 36.145,947 45.192,948 90.021,949 353.965,950 39.146,951 8.396,952 62.09,953 47.381,954 40.849,955 6.31,956 0.285,957 317.82,958 45.192,959 317.82,960 129.167,961 36.145,962 45.192,964 270.735,965 72.229,966 11,968 65.215,969 63.952,971 45.192,972 317.82,973 75.291,974 135.213,977 317.82,978 34.244,979 58.902,980 36.022,981 81.337,982 317.82,983 75.291,984 135.213,986 0.552,987 0.308,988 0.157,989 0.079,990 11,991 5,992 0.145,993 8,995 1,996 3.952,997 172.554,999 12,1000 108.096,1002 1,1005 20.147,1006 11.447,1007 7.717,1009 75.291,1010 9.025,1015 0.591,1017 36.022,1018 528.324,1019 31,1024 11.94,1025 5.128,1028 0.13,1031 53.523,1032 61.231,1034 0.265,1035 0.553,1036 0.739,1037 0.823,1038 0.862,1039 0.862,1040 4.649,1041 1.03,1042 5.451,1043 2.712,1044 4.174,1045 4.5,1046 2.379,1047 6.107,1048 4.082,1049 5.737,1050 1,1051 6.915,1052 2.423,1053 3.434,1054 3.922,1055 1.404,1056 6.72,1057 3.283,1058 6.956,1059 1,1060 8.485,1061 2.136,1062 5.609,1063 6.334,1064 2.905,1065 9.782,1066 5.44,1067 8.204,1068 0.827,1069 10.123,1070 2.136,1071 5.74,1072 6.604,1073 2.602,1074 11.301,1075 5.533,1076 9.491,1077 0.196,1078 11.807,1079 1.785,1080 7.321,1081 8.5,1082 3.748,1083 13.816,1084 7.098,1085 10.801,1086 -0.43,1087 13.522,1088 0.414,1089 7.886,1090 9.182,1091 3.832,1092 15.692,1093 7.641,1094 12.131,1095 -0.618,1096 15.26,1097 -1.023,1098 9.185,1099 10.847,1100 4.75,1101 18,1102 8.924,1103 2.817,1104 -0.757,1105 17.014,1106 -1.351,1107 9.976,1108 11.756,1109 5.044,1110 20.027,1111 9.7,1112 2.783,1113 8.643,1114 18.778,1115 -1.614,1116 11.136,1117 13.296,1118 5.823,1119 22.249,1120 10.845,1121 2.304,1122 8.537,1123 20.551,1124 3.68,1125 12.043,1126 14.34,1127 6.233,1128 24.342,1129 11.739,1130 1.901,1131 6.099,1132 22.329,1133 2.87,1134 13.135,1135 15.803,1136 6.93,1137 26.526,1138 12.817,1139 1.746,1140 4.326,1141 24.111,1142 2.783,1143 14.102,1144 16.936,1145 7.405,1146 28.649,1147 13.77,1148 1.618,1149 3.912,1150 25.896,1151 2.412,1152 15.161,1153 18.348,1154 8.054,1155 30.816,1156 14.817,1157 1.23,1158 3.362,1159 27.684,1160 1.902,1161 16.159,1162 19.538,1163 8.567,1164 32.954,1165 15.801,1166 8479,1167 12899,1168 17.277,1169 34.472,1170 36.966,1171 39.181,1172 37.67,1173 36.955,1174 36.903,1175 43.191,1176 9.127,1177 92.968,1178 35.158,1179 5.162,1180 5.833,1181 5.868,1182 4.888,1183 4.817,1184 6.68,1185 3.162,1186 14.765,1187 4.805,1188 11.118,1189 1.422,1190 1.507,1191 1.449,1192 1.421,1193 1.419,1194 1.661,1195 0.351,1196 3.576,1197 1.352,1198 3.935,1199 3.979,1200 3.959,1201 3.856,1202 7.429,1203 3.852,1204 3.889,1205 3.935,1206 3.799,1207 3.765,1208 4.851,1209 3.755,1210 3.674,1211 3.733,1212 3.763,1213 3.502,1214 4.718,1215 3.479,1216 3.543,1217 3.616,1218 3.463,1219 3.365,1220 4.579,1221 3.351,1222 3.37,1223 3.424,1224 3.254,1225 3.168,1226 4.323,1227 3.164,1228 3.161,1229 3.237,1230 3.167,1231 2.961,1232 4.015,1233 2.95,1234 3.111,1235 3.206,1236 2.907,1237 2.941,1238 3.792,1239 2.91,1240 2.974,1241 3.062,1242 2.866,1243 2.889,1244 3.674,1245 2.832,1246 0.16,1247 0.147,1248 0.232,1249 0.147,1250 0.108,1251 4.162,1252 0.142,1253 3.833,1254 0.068,1255 6.042,1256 0.332,1257 3.812,1258 0.108,1259 2.817,1260 3.68,1261 1.773,1262 8.643,1263 2.805,1264 1.902,1265 1.877,1266 2.102,1267 2.046,1268 1.49,1269 2.067,1270 1.883,1271 1.825,1272 2.017,1273 1.995,1274 1.104,1275 2.002,1276 1.607,1277 1.549,1278 1.847,1279 1.855,1280 1.075,1281 1.859,1282 1.497,1283 1.426,1284 1.743,1285 1.733,1286 1.001,1287 1.748,1288 1.287,1289 1.241,1290 1.524,1291 1.547,1292 0.825,1293 1.537,1294 1.153,1295 1.065,1296 1.513,1297 1.405,1298 0.781,1299 1.429,1300 1.144,1301 1.064,1302 1.396,1303 1.376,1304 0.572,1305 1.428,1306 0.998,1307 0.908,1308 1.379,1309 1.248,1310 0.384,1311 1.305,1312 3.97,1314 5.198,1316 6.611,1318 8.102,1320 9.634,1322 2.186,1328 9.546,1329 5.662,1330 5.659,1332 0.719,1333 2.414,1340 31.529,1341 82.417,1342 171.828,1343 229.67,1344 255.744,1345 268.009,1346 268.009,1347 51.377,1348 6.347,1349 53.6,1350 85.69,1351 12,1352 11.748,1353 3.17,1354 2.585,1355 52.341,1356 123,1357 95,1358 0.2,1359 203.107,1360 357.53,1361 487.342,1362 4930,1364 17.908,1365 0.716,1366 0.633,1367 18.408,1368 15.817,1369 12.165,1370 0.468,1371 0.365,1372 8.999,1373 11.459,1374 8.761,1375 7.297,1376 12.453,1377 9.496,1378 10.083,1379 0.315,1380 0.215,1381 10.491,1382 6.869,1383 7.79,1384 0.211,1385 0.13,1386 8.052,1387 4.828,1388 5.9,1389 0.144,1390 0.079,1391 6.188,1392 3.255,1393 4.233,1394 0.096,1395 0.049,1396 4.402,1397 2.152,1398 0.336,1399 78.974,1400 0.241,1401 25.558,1402 0.496,1403 116,1404 318.642,1405 140.928,1406 325.438,1407 424.99,1408 304,1409 127,1410 276.7,1411 145.942,1412 288.581,1413 413.38,1414 270,1415 7.886}
{0 CHEMBL318026,1 1.46,2 6.063,3 1.553,4 2.412,5 63.407,6 7.143,7 0.611,8 3.515,9 3.636,10 3.048,11 3.099,12 4.595,13 3.067,14 4.042,15 4.199,16 3.431,17 3.524,18 5.05,19 3.467,20 4.359,21 4.569,22 3.514,23 3.65,24 5.374,25 3.572,26 4.345,27 4.584,28 3.329,29 3.54,30 5.36,31 3.434,32 4.21,33 4.467,34 3.057,35 3.358,36 5.26,37 3.215,38 4.016,39 4.293,40 2.545,41 3.08,42 4.892,43 2.884,44 3.706,45 4.031,46 2.005,47 2.617,48 4.477,49 2.368,50 3.053,51 3.389,52 1.17,53 1.802,54 3.888,55 1.547,56 0.043,57 0.435,58 6.53,59 2.793,60 9.454,61 3.699,62 0.046,63 0.714,64 11.537,65 4.989,66 9.953,67 6.762,68 0.151,69 0.929,70 17.237,71 6.263,72 24.588,73 8.756,74 0.193,75 0.915,76 17.418,77 5.827,78 29.424,79 8.44,80 0.237,81 0.764,82 15.474,83 5.265,84 37.131,85 7.754,86 0.129,87 0.578,88 13.034,89 4.717,90 24.23,91 6.727,92 0.079,93 0.381,94 9.982,95 3.707,96 17.153,97 5.37,98 0.069,99 0.176,100 5.369,101 1.768,102 13.075,103 2.526,104 5,105 26,106 0.279,107 0.686,108 0.798,109 0.875,110 0.887,111 0.887,112 2.857,113 0.933,114 -2.6,115 -2.62,116 -2.56,121 43.3,123 3,129 1,144 4,145 2,146 1,148 2,165 1,166 1,167 1,176 6,180 4,185 4,187 7,189 2,192 4,197 4,200 6,203 2,206 1,208 1,209 1,211 3,214 5,216 3,222 1,223 1,224 3,226 1,227 7,229 2,237 1,239 4,249 2,251 1,261 1,281 180,282 10.861,283 10.861,284 10.861,285 10.861,286 10.861,287 9.522,288 7.71,289 6.322,290 10.967,291 8.883,292 8.883,293 8.883,294 8.883,295 8.883,296 6.861,297 5.563,298 3.008,299 9.087,300 3.447,301 1.322,302 0.733,303 0.333,304 0.267,305 0.267,306 3.532,311 1,312 1,313 213,314 1.732,318 78.746,322 87.143,325 0.953,326 14.88,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 34,338 97,339 4.629,340 3.357,341 6.776,342 4.196,343 3.215,344 4.555,346 11.07,347 3.153,348 3.94,349 2.759,350 6.005,351 3.591,352 2.606,353 3.445,355 8.481,356 2.566,357 3.473,358 2.342,359 5.281,360 3.069,361 2.105,362 2.853,364 6.337,365 2.024,366 3.194,367 2.24,368 4.95,369 3.017,370 2.066,371 2.257,373 5.765,374 1.957,375 2.903,376 1.465,377 4.135,378 2.416,379 1.423,380 2.072,382 3.384,383 1.411,384 2.583,385 1.432,386 3.691,387 2.252,388 1.256,389 1.61,391 3.059,392 1.251,393 1.964,394 0.918,395 3.454,396 1.754,397 0.774,398 0.898,400 1.872,401 0.757,402 1.431,403 0.453,404 2.941,405 1.104,406 0.169,407 0.199,409 0.417,410 0.157,411 1.04,412 -0.105,413 2.528,414 0.664,415 -0.295,416 -0.375,418 -0.72,419 -0.28,420 0.617,421 -0.561,422 2.347,423 0.231,424 -0.737,425 -0.837,427 -1.937,428 -0.703,429 0.406,430 -0.675,431 2,432 0.139,433 -0.841,434 -1.069,436 -2.166,437 -0.821,438 0.254,439 -0.873,440 1.835,441 -0.04,442 -1,443 -1.285,445 -2.653,446 -0.961,447 -0.147,448 -1.196,449 1.514,450 -0.411,451 -1.359,452 -1.648,454 -3.623,455 -1.298,456 -0.226,457 -1.387,458 1.331,459 -0.585,460 -1.552,461 -1.914,463 -4.52,464 -1.506,465 -0.5,466 -1.734,467 1.114,468 -0.857,469 -1.831,470 -2.198,472 -5.304,473 -1.758,474 7.633,475 0.477,476 0.418,477 0.026,478 20.5,479 1.281,480 10.5,481 0.656,482 10,483 0.625,484 11.305,485 0.707,486 16.967,487 0.566,488 11.847,489 0.74,490 3.807,491 0.238,492 3.947,493 0.247,494 0.096,496 0.393,501 1.029,502 0.987,503 0.864,504 0.87,505 1.1,506 0.847,507 0.76,508 1.201,509 0.85,510 1.083,511 0.754,512 0.999,513 1.183,514 1.152,515 0.977,516 0.996,517 1.121,518 0.97,519 1.12,520 1.077,521 1.117,522 1.031,523 1.052,524 1.056,525 0.787,526 0.949,527 1.114,528 1.04,529 0.8,530 1.092,531 1.063,532 0.923,533 1.181,534 1.105,535 1.137,536 1.15,537 0.714,538 0.827,539 0.834,540 0.982,541 0.74,542 0.945,543 1.443,544 0.662,545 0.9,546 0.784,547 1.5,548 0.8,549 3,551 2,552 1.25,553 1.351,554 0.319,555 0.2,556 0.047,557 0.02,559 1842,560 4383,561 2.135,562 46.7,564 5,567 3,568 2,569 4,572 1.557,573 2,574 2.651,575 1.189,577 1,578 1,579 1,582 43.798,583 1.46,584 3.585,585 4.174,586 4.574,587 4.64,588 4.64,589 2.149,590 3.5,591 3.977,592 2.669,593 320.333,594 6.721,595 2647.88,597 1,599 1,600 147.207,601 1.406,602 3.933,603 0.167,605 0.077,606 0.046,607 0.064,608 0.021,609 0.025,610 0.012,611 0.02,613 0.433,614 1,615 1,616 0.625,617 62.098,618 -0.152,619 0.159,620 0.008,621 0.166,622 -0.191,623 0.118,624 -0.01,625 -0.142,626 0.034,627 -0.048,628 -0.025,629 -0.012,630 -0.113,631 -0.14,632 -0.02,633 -0.028,634 -0.096,635 -0.019,636 -0.101,637 -0.044,638 -0.146,639 -0.109,640 -0.084,641 -0.129,642 0.138,643 0.045,644 -0.141,645 -0.111,646 0.129,647 -0.148,648 -0.115,649 -0.039,650 -0.197,651 -0.146,652 -0.127,653 -0.172,654 0.117,655 -0.07,656 0.182,657 -0.003,658 0.134,659 0.082,660 -0.033,661 0.037,662 0.198,663 0.157,664 -0.016,665 0.194,666 1.599,667 3.669,668 0.875,669 7.5,670 0.994,671 1.123,672 1.373,673 1.884,674 0.668,675 2.944,676 3.296,677 3.611,678 3.912,679 4.205,680 4.22,681 4.304,682 4.357,683 4.382,684 4.007,685 3.679,686 0.631,687 214.29,688 2.944,689 4.489,690 5.361,691 6.26,692 7.152,693 8.055,694 8.955,695 9.859,696 10.761,697 11.666,698 6.7,702 1,708 1,714 2,715 4,716 1,720 3,722 11,733 1,741 30,743 11,744 1,745 18,747 32,748 13,749 9,750 2,751 4,756 3,757 6,767 4,770 4,772 9,773 4,790 1,793 14,794 3,795 3,796 3,802 2,808 0.333,809 1,811 1,822 1,829 3,833 2,857 1,859 1,868 16,869 1,875 1,876 3,880 1,893 3.3,894 1,901 8,902 5.15,903 3.444,904 1.833,907 2.412,908 1.371,909 0.981,910 2.163,911 8.918,912 3.199,913 3.861,914 4.516,915 5.158,916 5.782,917 6.097,918 6.464,919 6.804,920 7.105,921 6.808,922 1,923 27,924 5.93,926 2.606,927 0.026,929 7.698,931 11.503,933 9.977,936 2.198,937 35.167,938 0.004,941 129.482,942 58.925,943 49.683,945 42.683,948 58.925,949 172.165,950 49.683,952 7.604,953 113.486,954 16.786,955 13.416,957 129.482,959 129.482,960 108.607,961 42.683,964 82.398,965 47.084,966 42.683,968 12.504,969 79.317,970 16.786,972 129.482,973 92.366,974 58.925,977 129.482,978 21.02,979 37.905,981 92.366,982 129.482,983 92.366,984 58.925,986 0.589,987 0.355,988 0.201,989 0.118,990 15,991 6,994 2,995 1.286,996 2.802,997 116.95,998 0.286,999 14,1000 64,1005 9.761,1006 3.546,1007 1.526,1008 1.95,1009 92.366,1010 7.904,1011 4.62,1015 2.887,1017 75.581,1018 280.773,1019 23.5,1031 29.833,1032 33.697,1034 0.298,1035 0.731,1036 0.851,1037 0.932,1038 0.946,1039 0.946,1040 4.44,1041 0.169,1042 5.361,1043 1.872,1044 3.97,1045 4.543,1047 6.213,1048 3.924,1049 5.663,1050 -0.295,1051 6.944,1052 0.417,1053 3.611,1054 4.477,1056 7.177,1057 3.526,1058 6.992,1059 -0.737,1060 8.629,1061 -0.72,1062 5.595,1063 6.85,1065 10.321,1066 5.509,1067 8.359,1068 -0.841,1069 10.374,1070 -1.937,1071 6.043,1072 7.627,1074 12.106,1075 5.924,1076 9.762,1077 -1,1078 12.157,1079 -2.166,1080 7.521,1081 9.496,1083 14.78,1084 7.4,1085 11.19,1086 -1.359,1087 13.967,1088 -2.653,1089 8.353,1090 10.669,1092 16.91,1093 8.205,1094 12.638,1095 -1.552,1096 15.796,1097 -3.623,1098 9.63,1099 12.33,1101 19.416,1102 9.475,1103 3.215,1104 -1.831,1105 17.64,1106 -4.52,1107 10.644,1108 13.689,1110 21.696,1111 10.464,1112 2.606,1113 11.07,1114 19.495,1115 -5.304,1116 11.843,1117 15.264,1119 24.139,1120 11.651,1121 2.105,1122 8.481,1123 21.36,1124 4.555,1125 12.939,1126 16.708,1128 26.485,1129 12.725,1130 2.066,1131 6.337,1132 23.232,1133 3.445,1134 14.112,1135 18.247,1137 28.904,1138 13.882,1139 1.423,1140 5.765,1141 25.11,1142 2.853,1143 15.245,1144 19.73,1146 31.28,1147 14.994,1148 1.256,1149 3.384,1150 26.993,1151 2.257,1152 16.409,1153 21.255,1155 33.689,1156 16.141,1157 0.774,1158 3.059,1159 28.88,1160 2.072,1161 17.559,1162 22.755,1164 36.079,1165 17.271,1166 1814,1167 2846,1168 12.137,1169 20.034,1170 27.343,1171 27.603,1172 28.246,1173 27.242,1174 27.228,1175 35.779,1177 80.768,1178 26.553,1179 5.574,1180 5.357,1181 6.457,1182 5.237,1183 5.215,1184 7.555,1186 18.604,1187 5.153,1188 6.187,1189 1.519,1190 1.533,1191 1.569,1192 1.513,1193 1.513,1194 1.988,1196 4.487,1197 1.475,1198 4.106,1199 4.135,1200 4.067,1201 4.034,1202 6.449,1203 4.039,1204 3.741,1205 3.782,1206 3.637,1207 3.648,1208 5.142,1209 3.64,1210 3.314,1211 3.377,1212 3.201,1213 3.169,1214 4.78,1215 3.168,1216 3.163,1217 3.231,1218 3.045,1219 2.972,1220 4.369,1221 2.978,1222 2.928,1223 3.021,1224 2.739,1225 2.764,1226 3.863,1227 2.746,1228 2.729,1229 2.839,1230 2.558,1231 2.553,1232 3.663,1233 2.546,1234 2.667,1235 2.734,1236 2.47,1237 2.355,1238 3.414,1239 2.371,1240 2.308,1241 2.396,1242 2.043,1243 1.822,1244 3.173,1245 1.861,1246 0.257,1247 0.186,1248 0.376,1249 0.233,1250 0.179,1251 4.629,1252 0.253,1253 3.357,1255 6.776,1256 0.615,1257 4.196,1258 0.175,1259 3.215,1260 4.555,1262 11.07,1263 3.153,1264 2.067,1265 2.043,1266 2.148,1267 2.158,1268 1.405,1269 2.157,1270 1.746,1271 1.707,1272 1.927,1273 1.875,1274 1.126,1275 1.894,1276 1.29,1277 1.237,1278 1.506,1279 1.496,1280 0.743,1281 1.502,1282 1.129,1283 1.063,1284 1.403,1285 1.369,1286 0.558,1287 1.381,1288 0.93,1289 0.857,1290 1.2,1291 1.179,1292 0.244,1293 1.196,1294 0.7,1295 0.634,1296 1.074,1297 1.013,1298 0.156,1299 1.043,1300 0.633,1301 0.509,1302 0.952,1303 0.9,1305 0.917,1306 0.177,1307 0.078,1308 0.706,1309 0.681,1311 0.7,1312 3.611,1314 4.949,1316 6.512,1318 8.181,1320 9.905,1326 6.151,1327 9.669,1328 2.252,1332 -0.266,1340 18.918,1341 43.798,1342 107.555,1343 125.207,1344 137.207,1345 139.207,1346 139.207,1347 21.908,1348 6.506,1349 59.14,1350 59.14,1351 18,1352 12.185,1353 3.585,1354 2.7,1355 21.646,1356 38,1357 30,1358 0.323,1359 116.239,1360 192.17,1361 275.382,1362 4766,1364 11.121,1365 0.695,1366 0.561,1367 11.121,1368 8.98,1369 7.754,1370 0.431,1371 0.311,1372 5.553,1373 7.588,1374 5.442,1375 4.464,1376 7.754,1377 5.595,1378 7.145,1379 0.275,1380 0.168,1381 7.145,1382 4.364,1383 6.234,1384 0.173,1385 0.091,1386 6.234,1387 3.277,1388 5.352,1389 0.109,1390 0.049,1391 5.352,1392 2.405,1393 4.685,1394 0.071,1395 0.027,1396 4.685,1397 1.807,1398 0.468,1399 47.798,1400 0.287,1401 15.561,1402 1.008,1403 88,1404 209.107,1405 93.184,1406 208.86,1407 292.17,1408 196,1409 106,1410 219.935,1411 111.158,1412 224.983,1413 332.53,1414 214,1415 5.716}
{0 CHEMBL318517,1 1.729,2 15.944,3 3.083,4 9.502,5 145.696,6 7.467,7 0.289,8 4.342,9 4.468,10 3.927,11 3.771,12 5.442,13 3.745,14 4.912,15 5.103,16 4.217,17 4.154,18 6.076,19 4.101,20 5.12,21 5.335,22 4.263,23 4.288,24 6.099,25 4.199,26 5.246,27 5.503,28 4.274,29 4.322,30 6.264,31 4.203,32 5.194,33 5.429,34 4.222,35 4.251,36 6.24,37 4.154,38 5.173,39 5.408,40 4.239,41 4.203,42 6.492,43 4.093,44 5.043,45 5.276,46 4.167,47 4.129,48 6.081,49 4.021,50 5.019,51 5.25,52 4.081,53 4.123,54 6.056,55 4.02,56 0.286,57 1.036,58 16.028,59 6.185,60 15.039,61 8.466,62 0.705,63 1.565,64 34.72,65 10.086,66 86.704,67 14.042,68 0.81,69 1.807,70 42.379,71 12.477,72 52.549,73 17.935,74 0.905,75 1.877,76 48.894,77 14.674,78 86.694,79 21.237,80 1.094,81 1.73,82 46.136,83 13.203,84 95.195,85 18.615,86 1.408,87 1.694,88 48.522,89 12.168,90 207.441,91 17.926,92 0.905,93 1.547,94 43.039,95 11.168,96 93.848,97 15.715,98 0.864,99 1.521,100 43.782,101 11.612,102 89.831,103 15.955,104 47,105 50,106 0.272,107 0.533,108 0.739,109 0.805,110 0.823,111 0.827,112 3.615,113 1.029,114 -3.18,115 -3.18,116 -3.05,121 32.9,123 1,126 2,127 10,144 4,146 4,154 2,168 4,176 1,179 2,180 5,185 3,191 2,192 8,195 2,197 3,200 2,205 1,206 5,209 5,210 1,214 2,218 4,219 2,222 2,227 2,231 4,232 5,235 5,237 2,239 1,243 1,244 4,247 1,249 2,255 2,256 4,259 1,264 1,268 2,269 5,272 1,277 3,281 3118,282 23.966,283 23.966,284 23.966,285 23.966,286 23.966,287 22.039,288 40.648,289 14.678,290 24.796,291 18.806,292 18.806,293 18.806,294 18.806,295 18.806,296 15.815,297 61.864,298 7.023,299 20.045,300 4.401,301 2.746,302 1.439,303 1.022,304 0.907,305 0.879,306 4.296,313 1196,314 4.743,317 124.816,318 290.241,325 2.559,326 47.846,329 0.5,330 0.5,331 0.5,332 0.8,333 1,334 0.33,336 0.52,337 81,338 574,339 4.545,340 4.25,341 6.588,342 4.1,343 3.131,344 4.314,345 3.272,346 10.461,347 3.033,348 4.144,349 3.847,350 6.196,351 3.75,352 2.763,353 3.749,354 2.612,355 8.951,356 2.728,357 4.124,358 3.76,359 5.675,360 3.644,361 2.685,362 3.735,363 2.612,364 7.971,365 2.572,366 3.627,367 2.998,368 5.34,369 3.437,370 2.521,371 3.043,372 0.916,373 6.965,374 2.307,375 3.521,376 2.889,377 5.113,378 3.178,379 2.244,380 2.526,381 0.86,382 6.084,383 2.097,384 3.371,385 2.858,386 5.029,387 3.073,388 2.114,389 2.508,390 0.8,391 5.951,392 2.025,393 3.271,394 2.691,395 4.693,396 2.806,397 1.873,398 2.467,399 0.4,400 4.687,401 1.75,402 2.919,403 2.421,404 4.338,405 2.689,406 1.76,407 1.955,408 0.4,409 4.341,410 1.628,411 2.807,412 2.238,413 3.825,414 2.518,415 1.592,416 1.857,417 0.172,418 3.338,419 1.473,420 2.62,421 2.171,422 3.719,423 2.383,424 1.475,425 1.618,427 3.219,428 1.319,429 2.601,430 1.778,431 3.69,432 2.194,433 1.276,434 1.603,436 2.849,437 1.159,438 2.329,439 1.704,440 3.476,441 2.101,442 1.118,443 1.317,445 2.674,446 1.091,447 2.215,448 1.484,449 3.287,450 1.952,451 1,452 1.094,454 2.136,455 0.946,456 2,457 1.256,458 3.247,459 1.778,460 0.833,461 1,463 1.891,464 0.776,465 1.917,466 1.161,467 3.167,468 1.588,469 0.67,470 0.828,472 1.573,473 0.606,474 16.733,475 0.465,476 0.843,477 0.023,478 41,479 1.139,480 17,481 0.472,482 24,483 0.667,484 35.585,485 0.988,486 42.667,487 0.61,488 34.646,489 0.962,490 7.865,491 0.218,492 9.464,493 0.263,494 0.139,496 0.275,501 0.564,502 1.533,503 0.772,504 1.199,505 0.487,506 1.121,507 0.915,508 1.189,509 1.104,510 1.118,511 0.397,512 0.985,513 0.866,514 1.158,515 1.015,516 1.142,517 0.528,518 1.118,519 0.615,520 0.999,521 0.819,522 1.013,523 0.67,524 0.978,525 1.054,526 0.943,527 0.94,528 0.923,529 1.074,530 0.976,531 0.847,532 1.036,533 1.066,534 1.048,535 0.867,536 1.026,537 1.109,538 1.01,539 1.074,540 1.029,541 1.25,542 0.989,543 1.046,544 1.017,545 1.274,546 1.164,547 1.237,548 0.979,549 7,550 0.264,551 2.889,552 2.257,553 1.761,554 1.427,555 0.563,556 0.452,557 0.354,558 0.342,559 21331,560 62229,561 1.994,562 48.6,564 30,567 2,570 2,572 1.774,573 1.862,574 3.902,575 0.286,582 121.015,583 1.729,584 3.383,585 4.69,586 5.108,587 5.222,588 5.251,589 3.423,590 4.781,591 5.134,592 4.138,593 2607.01,594 9.027,595 45268.4,600 429.05,601 1.415,602 5.096,603 0.184,604 0.006,605 0.058,606 0.046,607 0.036,608 0.031,609 0.013,610 0.012,611 0.009,612 0.008,613 0.402,614 0.33,615 0.63,616 1.017,617 201.789,618 0.164,619 -0.167,620 0.081,621 -0.041,622 0.034,623 -0.044,624 -0.029,626 -0.057,627 0.007,628 0.22,629 0.036,630 -0.039,631 -0.06,632 -0.06,633 -0.094,634 0.017,635 -0.097,636 0.131,637 -0.015,638 0.13,639 -0.016,640 0.099,641 0.043,642 -0.036,643 0.027,644 0.013,645 0.042,646 -0.075,647 0.007,648 0.185,649 -0.041,650 0.011,651 -0.024,652 0.304,653 -0.05,654 -0.121,655 0.015,656 0.027,657 0.038,658 -0.145,659 0.004,660 -0.086,661 0.023,662 -0.088,663 -0.011,664 -0.124,665 0.04,666 2.597,667 4.582,668 0.472,669 52.012,670 1.015,671 1.143,672 1.954,673 3.817,674 0.63,675 3.664,676 3.932,677 4.111,678 4.331,679 4.466,680 4.511,681 4.489,682 4.431,683 4.454,684 4.554,685 9.285,686 0.6,687 522.7,688 3.664,689 5.176,690 5.984,691 6.832,692 7.662,693 8.518,694 9.358,695 10.218,696 11.064,697 11.927,698 8.6,701 2,703 2,709 2,715 4,718 1,720 6,722 11,734 2,735 2,741 70,743 15,744 1,745 38,747 72,748 23,749 10,750 4,751 2,756 3,757 3,770 1,772 10,773 13,777 4,779 2,782 4,792 1,793 34,794 10,795 2,796 13,797 1,802 6,808 1,809 6,828 1,829 2,855 2,858 1,859 3,860 1,862 1,864 2,868 36,876 11,877 2,878 1,879 1,881 2,893 8.6,897 1,898 1,899 4,901 19.333,902 12.8,903 8.111,904 4.061,907 2.076,908 1.275,909 0.927,910 11.601,911 9.628,912 3.882,913 4.391,914 4.813,915 5.323,916 5.689,917 5.996,918 6.08,919 6.018,920 5.892,921 6.064,922 0.909,923 49,924 13.4,926 5.585,927 0.026,929 7.954,931 25.284,933 19.978,936 2.454,937 88.333,941 376.675,942 134.995,943 53.61,945 122.001,947 32.22,948 102.775,949 498.676,950 53.61,951 28.133,952 26.153,953 37.905,954 47.021,955 26.783,956 10.898,957 408.895,958 101.494,959 376.675,960 156.386,961 122.001,962 32.22,964 353.133,965 33.05,966 112.494,968 32.402,969 76.622,970 47.362,971 32.22,972 376.675,973 175.611,974 134.995,977 376.675,978 80.297,979 72.286,980 36.022,981 122.001,982 376.675,983 175.611,984 134.995,986 0.567,987 0.309,988 0.169,989 0.091,990 19,991 10,992 0.208,993 15,995 1,996 4.764,997 309.039,999 17,1000 176.117,1001 1,1005 28.531,1006 14.637,1007 9.414,1009 164.271,1010 6.409,1013 5.793,1015 1.686,1017 36.022,1018 687.281,1019 47.5,1021 -1.19,1024 46.299,1031 71.021,1032 79.979,1034 0.282,1035 0.552,1036 0.765,1037 0.833,1038 0.852,1039 0.857,1040 5.104,1041 1.76,1042 5.943,1043 4.687,1044 4.615,1045 5.078,1046 3.9,1047 6.683,1048 4.507,1049 6.269,1050 1.592,1051 7.458,1052 4.341,1053 4.111,1054 4.956,1055 3.043,1056 7.473,1057 3.992,1058 7.554,1059 1.475,1060 9.074,1061 3.338,1062 6.133,1063 7.191,1064 5.882,1065 10.544,1066 5.945,1067 8.876,1068 1.276,1069 10.754,1070 3.219,1071 6.447,1072 7.93,1073 5.198,1074 12.201,1075 6.261,1076 10.234,1077 1.118,1078 12.475,1079 2.849,1080 7.931,1081 9.658,1082 8.078,1083 14.78,1084 7.686,1085 11.617,1086 1,1087 14.226,1088 2.674,1089 8.641,1090 10.771,1091 7.249,1092 16.808,1093 8.395,1094 13.02,1095 0.833,1096 16,1097 2.136,1098 9.899,1099 12.315,1100 10.347,1101 19.217,1102 9.606,1103 3.131,1104 0.67,1105 17.79,1106 1.891,1107 10.808,1108 13.596,1109 9.241,1110 21.411,1111 10.507,1112 2.763,1113 10.461,1114 19.594,1115 1.573,1116 11.971,1117 15.071,1118 12.655,1119 23.762,1120 11.632,1121 2.685,1122 8.951,1123 21.41,1124 4.314,1125 12.982,1126 16.43,1127 11.202,1128 26.03,1129 12.627,1130 2.521,1131 7.971,1132 23.234,1133 3.749,1134 14.108,1135 17.88,1136 14.987,1137 28.365,1138 13.72,1139 2.244,1140 6.965,1141 25.065,1142 3.735,1143 15.172,1144 19.278,1145 13.145,1146 30.668,1147 14.761,1148 2.114,1149 6.084,1150 26.903,1151 3.043,1152 16.287,1153 20.721,1154 17.333,1155 33.001,1156 15.846,1157 1.873,1158 5.951,1159 28.747,1160 2.526,1161 17.378,1162 22.141,1163 15.079,1164 35.322,1165 16.911,1166 20898,1167 36028,1168 24.849,1169 44.068,1170 55.299,1171 60.289,1172 56.6,1173 55.212,1174 55.219,1175 68.457,1176 24.092,1177 148.78,1178 52.059,1179 5.545,1180 6.25,1181 6.39,1182 5.213,1183 5.131,1184 7.314,1185 6.545,1186 17.288,1187 5.033,1188 20.611,1189 1.455,1190 1.587,1191 1.489,1192 1.453,1193 1.453,1194 1.801,1195 0.634,1196 3.915,1197 1.37,1198 4.067,1199 4.097,1200 4.053,1201 3.907,1202 7.819,1203 3.928,1204 3.943,1205 3.957,1206 3.97,1207 3.803,1208 7.811,1209 3.812,1210 3.819,1211 3.882,1212 3.722,1213 3.609,1214 6.999,1215 3.62,1216 3.665,1217 3.698,1218 3.696,1219 3.465,1220 6.999,1221 3.409,1222 3.57,1223 3.643,1224 3.651,1225 3.348,1226 5.035,1227 3.35,1228 3.542,1229 3.607,1230 3.425,1231 3.285,1232 4.69,1233 3.293,1234 3.505,1235 3.571,1236 3.367,1237 3.135,1238 4.622,1239 3.225,1240 3.305,1241 3.34,1242 3.284,1243 2.985,1244 4.273,1245 3.026,1246 0.12,1247 0.112,1248 0.173,1249 0.108,1250 0.082,1251 4.545,1252 0.114,1253 4.25,1254 0.086,1255 6.588,1256 0.275,1257 4.1,1258 0.08,1259 3.131,1260 4.314,1261 3.272,1262 10.461,1263 3.033,1264 1.949,1265 1.922,1266 2.025,1267 2.15,1268 1.302,1269 2.099,1270 1.756,1271 1.692,1272 1.965,1273 1.994,1274 1.175,1275 1.99,1276 1.648,1277 1.593,1278 1.868,1279 1.882,1280 1.101,1281 1.881,1282 1.602,1283 1.571,1284 1.793,1285 1.852,1286 1.039,1287 1.798,1288 1.522,1289 1.457,1290 1.737,1291 1.76,1292 1.03,1293 1.763,1294 1.437,1295 1.377,1296 1.661,1297 1.74,1298 0.852,1299 1.673,1300 1.295,1301 1.252,1302 1.526,1303 1.642,1304 0.825,1305 1.625,1306 1.259,1307 1.213,1308 1.513,1309 1.53,1310 0.657,1311 1.534,1312 4.344,1314 5.624,1315 2.398,1316 7.074,1317 4.595,1318 8.613,1319 6.555,1320 10.206,1322 3.957,1328 7.911,1329 6.173,1330 5.342,1331 1.638,1333 4.315,1340 41.979,1341 121.015,1342 236.834,1343 328.321,1344 357.54,1345 365.54,1346 367.54,1347 106.808,1348 7.552,1349 144.55,1350 169.85,1351 17,1352 12.479,1353 4,1354 3.392,1355 73.886,1356 192,1357 216,1358 0.174,1359 264.596,1360 466.35,1361 637.375,1362 22419,1364 25.916,1365 0.72,1366 0.599,1367 26.269,1368 21.551,1369 17.329,1370 0.456,1371 0.343,1372 11.713,1373 15.713,1374 11.332,1375 9.377,1376 17.829,1377 13.034,1378 15.408,1379 0.308,1380 0.197,1381 15.906,1382 9.825,1383 11.377,1384 0.19,1385 0.109,1386 11.934,1387 6.555,1388 9.388,1389 0.125,1390 0.061,1391 9.896,1392 4.587,1393 7.016,1394 0.082,1395 0.036,1396 7.531,1397 3.089,1398 0.284,1399 116.892,1400 0.201,1401 33.934,1402 0.452,1403 176,1404 634.52,1405 221.319,1406 607.867,1407 788.08,1408 562,1409 198,1410 544.912,1411 240.862,1412 543.538,1413 778.58,1414 503,1415 6.432}
{0 CHEMBL319451,1 1.46,2 5.75,3 2.11,4 4.45,5 63.305,6 7.143,7 0.611,8 3.515,9 3.636,10 3.048,11 3.099,12 4.595,13 3.067,14 4.042,15 4.199,16 3.431,17 3.524,18 5.055,19 3.467,20 4.356,21 4.569,22 3.551,23 3.65,24 5.397,25 3.575,26 4.341,27 4.57,28 3.376,29 3.54,30 5.398,31 3.45,32 4.233,33 4.481,34 3.061,35 3.374,36 5.292,37 3.24,38 4.051,39 4.327,40 2.554,41 3.101,42 4.949,43 2.902,44 3.727,45 4.057,46 1.839,47 2.624,48 4.441,49 2.343,50 3.014,51 3.397,52 0.584,53 1.744,54 3.497,55 1.37,56 0.043,57 0.435,58 6.53,59 2.793,60 9.436,61 3.699,62 0.046,63 0.714,64 11.537,65 4.989,66 9.553,67 6.762,68 0.168,69 0.929,70 17.135,71 6.302,72 24.85,73 8.928,74 0.198,75 0.915,76 17.28,77 5.65,78 30.04,79 8.112,80 0.222,81 0.775,82 15.874,83 5.296,84 38.416,85 7.614,86 0.141,87 0.589,88 13.586,89 4.944,90 28.073,91 6.981,92 0.095,93 0.388,94 10.267,95 3.792,96 18.641,97 5.505,98 0.056,99 0.173,100 5.215,101 1.8,102 9.424,103 2.733,104 5,105 26,106 0.279,107 0.686,108 0.798,109 0.875,110 0.887,111 0.887,112 2.857,113 0.937,114 -2.6,115 -2.62,116 -2.56,121 43.3,123 3,129 1,144 4,145 2,146 1,148 2,165 1,166 1,167 1,176 7,180 3,185 3,187 7,189 2,192 4,195 1,197 4,200 5,203 2,206 2,208 1,209 1,211 4,214 4,216 3,223 1,224 4,226 1,227 6,229 2,237 2,239 5,249 1,251 2,281 164,282 10.914,283 10.914,284 10.914,285 10.914,286 10.914,287 9.599,288 8.923,289 6.345,290 11.009,291 8.867,292 8.867,293 8.867,294 8.867,295 8.867,296 6.855,297 8.773,298 2.979,299 9.06,300 3.447,301 1.322,302 0.733,303 0.333,304 0.267,305 0.267,306 3.532,311 1,312 1,313 202,314 1.732,318 77.413,322 85.609,325 0.906,326 15.211,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 34,338 92,339 4.644,340 3.438,341 6.842,342 4.224,343 3.246,344 4.562,345 0.765,346 11.294,347 3.175,348 3.995,349 2.877,350 6.175,351 3.65,352 2.67,353 3.492,355 8.938,356 2.614,357 3.55,358 2.424,359 5.524,360 3.18,361 2.215,362 2.914,364 6.892,365 2.132,366 2.972,367 1.788,368 4.668,369 2.603,370 1.64,371 2.167,373 4.613,374 1.576,375 2.836,376 1.568,377 3.945,378 2.454,379 1.461,380 1.919,382 3.298,383 1.448,384 2.508,385 1.361,386 3.713,387 2.322,388 1.329,389 1.51,391 2.995,392 1.318,393 2.188,394 0.985,395 3.517,396 1.855,397 0.883,398 1.125,400 2.14,401 0.855,402 1.412,403 0.482,404 2.942,405 1.102,406 0.166,407 0.193,409 0.407,410 0.154,411 1.046,412 -0.117,413 2.537,414 0.619,415 -0.332,416 -0.428,418 -0.81,419 -0.312,420 0.656,421 -0.444,422 2.34,423 0.439,424 -0.533,425 -0.601,427 -1.304,428 -0.517,429 0.525,430 -0.748,431 2,432 0.131,433 -0.854,434 -1.175,436 -2.046,437 -0.838,438 0.179,439 -0.924,440 1.834,441 -0.195,442 -1.168,443 -1.4,445 -3.196,446 -1.126,447 -0.212,448 -1.116,449 1.514,450 -0.4,451 -1.341,452 -1.585,454 -3.57,455 -1.274,456 -0.306,457 -1.399,458 1.313,459 -0.593,460 -1.559,461 -1.92,463 -4.353,464 -1.511,465 -0.5,466 -1.73,467 1.248,468 -0.85,469 -1.822,470 -2.207,472 -5.527,473 -1.746,474 7.633,475 0.477,476 0.401,477 0.025,478 20.5,479 1.281,480 10.5,481 0.656,482 10,483 0.625,484 11.332,485 0.708,486 16.967,487 0.566,488 11.966,489 0.748,490 3.765,491 0.235,492 4.006,493 0.25,494 0.096,496 0.393,501 1.029,502 0.987,503 0.864,504 0.87,505 1.101,506 0.847,507 0.76,508 1.201,509 0.85,510 1.083,511 0.747,512 0.999,513 0.892,514 1.151,515 0.862,516 0.993,517 0.864,518 0.937,519 1.277,520 1.096,521 1.144,522 1.043,523 1.204,524 1.059,525 1.216,526 0.961,527 1.231,528 1.052,529 1.179,530 1.118,531 1.154,532 0.917,533 1.184,534 1.098,535 1.237,536 1.145,537 0.772,538 0.807,539 0.925,540 0.971,541 0.83,542 0.984,543 0.581,544 0.578,545 0.735,546 0.704,547 0.641,548 0.747,549 2.5,551 2.222,552 1.375,553 1.391,554 0.41,555 0.1,556 0.028,559 1802,560 4179,561 2.135,562 46.7,563 4,564 5,567 3,569 2,572 1.559,573 2,574 2.59,575 1.189,577 1,578 1,579 1,582 43.798,583 1.46,584 3.585,585 4.174,586 4.574,587 4.64,588 4.64,589 1.924,590 2.858,591 3.979,592 2.596,593 311.485,594 6.732,595 2598.37,597 1,599 1,600 147.207,601 1.406,602 3.933,603 0.139,605 0.085,606 0.049,607 0.063,608 0.027,609 0.013,610 0.009,613 0.386,614 1,615 1,616 0.625,617 61.788,618 -0.152,619 0.159,620 0.008,621 0.166,622 -0.191,623 0.118,624 -0.01,625 -0.142,626 0.034,627 -0.048,628 -0.018,629 -0.012,630 0.085,631 -0.14,632 0.091,633 -0.022,634 0.06,635 0.022,636 -0.126,637 -0.045,638 -0.166,639 -0.13,640 -0.109,641 -0.147,642 -0.085,643 0.032,644 -0.246,645 -0.128,646 -0.024,647 -0.189,648 -0.127,649 -0.052,650 -0.192,651 -0.133,652 -0.121,653 -0.164,654 0.047,655 -0.054,656 0.09,657 0.007,658 0.028,659 0.043,660 0.115,661 0.107,662 0.32,663 0.252,664 0.067,665 0.298,666 1.782,667 3.927,668 0.875,669 7.25,670 0.994,671 1.123,672 1.373,673 1.884,674 0.668,675 2.944,676 3.296,677 3.638,678 3.932,679 4.205,680 4.234,681 4.317,682 4.317,683 4.344,684 4.007,685 3.578,686 0.631,687 214.29,688 2.944,689 4.489,690 5.371,691 6.271,692 7.171,693 8.077,694 8.983,695 9.891,696 10.798,697 11.706,698 6.7,702 1,708 1,714 2,715 4,716 1,720 3,722 11,733 1,741 30,743 11,744 1,745 18,747 32,748 13,749 9,750 2,751 4,756 3,757 6,767 4,770 4,772 9,773 4,790 1,793 14,794 3,795 3,796 3,802 2,808 0.333,809 1,811 1,822 1,829 3,833 2,857 1,859 1,868 16,869 1,875 1,876 3,880 1,893 3.3,894 1,901 8,902 5.15,903 3.472,904 1.875,907 2.412,908 1.371,909 0.981,910 2.163,911 8.918,912 3.199,913 3.861,914 4.538,915 5.175,916 5.795,917 6.124,918 6.493,919 6.796,920 7.096,921 6.809,922 0.75,923 28,924 5.936,926 2.617,927 0.026,929 7.698,931 11.503,933 9.974,936 2.198,937 35.167,938 0.004,941 129.482,942 58.925,943 49.683,945 42.683,948 58.925,949 172.165,950 49.683,952 7.604,953 113.486,954 16.786,955 13.416,957 129.482,959 129.482,960 108.607,961 42.683,964 105.94,965 23.542,966 42.683,968 12.504,969 79.317,970 16.786,972 129.482,973 92.366,974 58.925,977 129.482,978 21.02,979 37.905,981 92.366,982 129.482,983 92.366,984 58.925,986 0.589,987 0.365,988 0.207,989 0.115,990 15,991 6,994 2,995 1.286,996 2.783,997 117.822,998 0.286,999 14,1000 64,1005 9.761,1006 3.546,1007 1.442,1008 1.87,1009 92.366,1010 7.828,1011 4.528,1015 2.61,1017 75.581,1018 280.773,1019 23.5,1031 29.833,1032 33.697,1034 0.298,1035 0.731,1036 0.851,1037 0.932,1038 0.946,1039 0.946,1040 4.44,1041 0.166,1042 5.371,1043 2.14,1044 3.97,1045 4.543,1046 0.775,1047 6.24,1048 3.924,1049 5.663,1050 -0.332,1051 6.967,1052 0.407,1053 3.611,1054 4.477,1056 7.256,1057 3.526,1058 6.995,1059 -0.533,1060 8.67,1061 -0.81,1062 5.609,1063 6.859,1064 0.521,1065 10.414,1066 5.521,1067 8.37,1068 -0.854,1069 10.434,1070 -1.304,1071 6.089,1072 7.648,1074 12.248,1075 5.962,1076 9.781,1077 -1.168,1078 12.237,1079 -2.046,1080 7.569,1081 9.514,1082 0.336,1083 14.929,1084 7.437,1085 11.217,1086 -1.341,1087 14.065,1088 -3.196,1089 8.432,1090 10.694,1092 17.091,1093 8.267,1094 12.673,1095 -1.559,1096 15.911,1097 -3.57,1098 9.711,1099 12.352,1100 0.21,1101 19.606,1102 9.535,1103 3.246,1104 -1.822,1105 17.771,1106 -4.353,1107 10.746,1108 13.714,1110 21.909,1111 10.541,1112 2.67,1113 11.294,1114 19.64,1115 -5.527,1116 11.95,1117 15.287,1118 0.128,1119 24.364,1120 11.73,1121 2.215,1122 8.938,1123 21.517,1124 4.562,1125 13.06,1126 16.733,1128 26.73,1129 12.814,1130 1.64,1131 6.892,1132 23.399,1133 3.492,1134 14.238,1135 18.271,1136 0.077,1137 29.163,1138 13.974,1139 1.461,1140 4.613,1141 25.287,1142 2.914,1143 15.382,1144 19.755,1146 31.558,1147 15.094,1148 1.329,1149 3.298,1150 27.18,1151 2.167,1152 16.553,1153 21.279,1154 0.046,1155 33.983,1156 16.245,1157 0.883,1158 2.995,1159 29.076,1160 1.919,1161 17.713,1162 22.781,1164 36.392,1165 17.382,1166 1779,1167 2766,1168 12.137,1169 20.034,1170 27.323,1171 27.515,1172 28.43,1173 27.224,1174 27.217,1175 35.764,1176 1.529,1177 81.154,1178 26.546,1179 5.59,1180 5.438,1181 6.523,1182 5.265,1183 5.246,1184 7.562,1185 1.529,1186 18.893,1187 5.175,1188 6.061,1189 1.518,1190 1.529,1191 1.579,1192 1.512,1193 1.512,1194 1.987,1195 0.085,1196 4.509,1197 1.475,1198 4.106,1199 4.135,1200 4.069,1201 4.034,1202 6.45,1203 4.039,1204 3.739,1205 3.781,1206 3.634,1207 3.649,1208 5.139,1209 3.639,1210 3.309,1211 3.376,1212 3.191,1213 3.169,1214 4.775,1215 3.165,1216 3.167,1217 3.232,1218 3.038,1219 2.972,1220 4.342,1221 2.979,1222 2.952,1223 3.033,1224 2.796,1225 2.767,1226 3.959,1227 2.759,1228 2.717,1229 2.835,1230 2.519,1231 2.549,1232 3.667,1233 2.534,1234 2.658,1235 2.729,1236 2.475,1237 2.356,1238 3.299,1239 2.372,1240 2.28,1241 2.351,1242 2.041,1243 1.813,1244 3.226,1245 1.855,1246 0.258,1247 0.191,1248 0.38,1249 0.235,1250 0.18,1251 4.644,1252 0.253,1253 3.438,1254 0.042,1255 6.842,1256 0.627,1257 4.224,1258 0.176,1259 3.246,1260 4.562,1261 0.765,1262 11.294,1263 3.175,1264 2.066,1265 2.042,1266 2.147,1267 2.158,1268 1.409,1269 2.156,1270 1.748,1271 1.707,1272 1.936,1273 1.874,1274 1.134,1275 1.897,1276 1.291,1277 1.236,1278 1.498,1279 1.496,1280 0.694,1281 1.502,1282 1.127,1283 1.065,1284 1.392,1285 1.375,1286 0.579,1287 1.381,1288 0.929,1289 0.862,1290 1.201,1291 1.188,1292 0.241,1293 1.197,1294 0.699,1295 0.628,1296 1.074,1297 1.008,1298 0.139,1299 1.041,1300 0.633,1301 0.509,1302 0.948,1303 0.9,1305 0.921,1306 0.141,1307 0.054,1308 0.686,1309 0.609,1311 0.628,1312 3.611,1314 4.949,1316 6.521,1318 8.201,1320 9.936,1326 6.151,1327 9.927,1328 2.701,1332 -0.448,1340 18.918,1341 43.798,1342 107.555,1343 125.207,1344 137.207,1345 139.207,1346 139.207,1347 22.165,1348 6.506,1349 59.14,1350 59.14,1351 18,1352 12.223,1353 3.585,1354 2.7,1355 21.595,1356 38,1357 22,1358 0.332,1359 116.239,1360 192.17,1361 275.382,1362 4762,1364 11.121,1365 0.695,1366 0.561,1367 11.121,1368 8.98,1369 7.771,1370 0.432,1371 0.312,1372 5.58,1373 7.611,1374 5.477,1375 4.502,1376 7.771,1377 5.622,1378 7.039,1379 0.271,1380 0.166,1381 7.039,1382 4.314,1383 6.371,1384 0.172,1385 0.089,1386 6.371,1387 3.289,1388 5.474,1389 0.109,1390 0.049,1391 5.474,1392 2.444,1393 4.601,1394 0.07,1395 0.027,1396 4.601,1397 1.785,1398 0.477,1399 47.899,1400 0.287,1401 15.472,1402 1.051,1403 88,1404 209.107,1405 93.184,1406 208.811,1407 293.27,1408 196,1409 107,1410 221.935,1411 112.712,1412 226.851,1413 337.94,1414 216,1415 6.303}
{0 CHEMBL319541,1 1.421,2 12.097,3 5.511,4 30.366,5 122.787,6 7.13,7 0.514,8 4.156,9 4.275,10 3.704,11 3.726,12 5.196,13 3.695,14 4.715,15 4.886,16 4.103,17 4.155,18 5.732,19 4.105,20 4.996,21 5.188,22 4.164,23 4.333,24 5.9,25 4.246,26 5.159,27 5.412,28 4.113,29 4.347,30 6.019,31 4.234,32 5.105,33 5.333,34 4.102,35 4.316,36 6.053,37 4.209,38 5.105,39 5.354,40 4.062,41 4.292,42 5.999,43 4.182,44 4.967,45 5.174,46 3.985,47 4.25,48 5.935,49 4.132,50 4.996,51 5.254,52 3.765,53 4.118,54 5.917,55 3.968,56 0.037,57 0.824,58 12.399,59 5.399,60 9.406,61 7.222,62 0.384,63 1.407,64 23.536,65 9.009,66 34.679,67 12.475,68 0.205,69 1.793,70 31.729,71 12.427,72 30.136,73 17.132,74 0.354,75 2.039,76 39.912,77 14.035,78 44.927,79 20.096,80 0.361,81 1.856,82 37.431,83 14.169,84 52.139,85 19.403,86 0.453,87 1.799,88 38.617,89 14.399,90 54.003,91 19.715,92 0.299,93 1.647,94 31.62,95 12.87,96 41.196,97 17.459,98 0.437,99 1.627,100 34.769,101 12.694,102 57.363,103 17.624,104 10,105 51,106 0.23,107 0.535,108 0.709,109 0.816,110 0.856,111 0.861,112 3.472,113 0.92,114 -5.36,115 -5.24,116 -4.9,121 44.8,122 1,123 1,125 1,126 1,127 2,130 1,144 13,145 2,146 3,161 1,176 15,179 2,180 8,183 2,185 2,187 16,192 10,197 2,200 10,206 12,211 3,214 6,218 1,219 12,224 2,227 12,231 1,232 5,237 1,239 18,243 1,244 4,247 1,249 2,251 19,255 1,256 2,259 1,264 12,269 5,274 1,277 8,281 1650,282 21.117,283 21.117,284 21.117,285 21.117,286 21.117,287 18.799,288 28.508,289 12.451,290 21.473,291 17.32,292 17.32,293 17.32,294 17.32,295 17.32,296 13.908,297 42.493,298 5.974,299 17.91,300 4.437,301 2.557,302 1.481,303 0.824,304 0.578,305 0.543,306 4.181,311 1,312 1,313 833,314 3.606,317 119.006,318 256.356,320 96.468,321 104.402,324 143.795,325 1.919,326 20.014,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 65.5,338 375,339 4.839,340 3.983,341 8.013,342 4.72,343 3.744,344 4.211,345 2.186,346 15.366,347 3.661,348 4.021,349 3.675,350 6.289,351 3.674,352 2.723,353 3.485,354 1.013,355 9.221,356 2.602,357 3.926,358 2.949,359 6.211,360 3.618,361 2.653,362 3.451,363 0.763,364 8.694,365 2.551,366 3.904,367 2.823,368 5.559,369 3.522,370 2.553,371 3.301,372 0.366,373 7.562,374 2.476,375 3.617,376 2.589,377 5.351,378 3.287,379 2.32,380 2.857,381 0.191,382 6.896,383 2.224,384 3.458,385 2.524,386 5.295,387 3.226,388 2.288,389 2.595,391 6.791,392 2.132,393 3.281,394 2.442,395 4.817,396 2.892,397 1.915,398 2.428,400 5.106,401 1.852,402 2.918,403 1.777,404 4.606,405 2.535,406 1.564,407 2.075,409 4.471,410 1.518,411 2.848,412 1.519,413 4.213,414 2.387,415 1.4,416 1.982,418 3.132,419 1.378,420 2.607,421 1.507,422 3.91,423 2.333,424 1.354,425 1.624,427 3.023,428 1.318,429 2.516,430 1.171,431 3.572,432 2.126,433 1.132,434 1.52,436 2.99,437 1.125,438 2.5,439 1,440 3.547,441 2,442 1,443 1.5,445 2.136,446 1,447 2.5,448 1,449 3.247,450 2,451 1,452 1.5,454 2.136,455 1,456 1.822,457 0.936,458 3.247,459 1.72,460 0.753,461 0.795,463 1.98,464 0.726,465 1.319,466 0.753,467 3.13,468 1.015,469 0.087,470 0.102,472 0.24,473 0.08,474 14.867,475 0.48,476 0.801,477 0.026,478 41.25,479 1.331,480 21,481 0.677,482 20.25,483 0.653,484 27.197,485 0.877,486 32.533,487 0.561,488 31.337,489 1.011,490 8.059,491 0.26,492 6.983,493 0.225,494 0.09,495 0.034,496 0.289,501 0.802,502 1.299,503 0.809,504 1.067,505 0.623,506 0.955,507 0.716,508 0.978,509 0.872,510 0.89,511 0.44,512 0.885,513 1.022,514 1.321,515 1.077,516 1.192,517 0.742,518 1.148,519 1.056,520 0.975,521 1.006,522 0.948,523 0.669,524 0.951,525 1.204,526 1.056,527 1.033,528 1.07,529 1.262,530 1.041,531 1.294,532 0.776,533 0.898,534 0.793,535 1.132,536 0.807,537 1.01,538 1.138,539 1.127,540 1.202,541 1.08,542 1.192,543 1.245,544 0.907,545 1.11,546 0.985,547 1.648,548 1.029,549 6.5,550 0.154,551 3.556,552 3.396,553 1.753,554 1.323,555 0.835,556 0.454,557 0.381,558 0.241,559 13360,560 29967,561 2.151,562 46.6,563 3,564 20,565 1,567 1,569 2,572 1.738,573 2.033,574 3.505,575 -0.425,582 82.415,583 1.421,584 3.301,585 4.377,586 5.034,587 5.28,588 5.315,589 3.1,590 4.503,591 4.918,592 3.697,593 1719.27,594 8.606,595 23908,600 339.763,601 1.459,602 4.889,603 0.186,604 0.006,605 0.07,606 0.065,607 0.037,608 0.028,609 0.018,610 0.011,611 0.012,612 0.009,613 0.441,614 0.33,615 0.88,616 0.486,617 160.08,618 0.002,619 -0.158,620 0.073,621 -0.046,622 -0.037,623 0.01,624 0.282,625 0.15,626 0.068,627 0.084,628 0.212,629 0.059,630 -0.074,631 -0.269,632 -0.131,633 -0.207,634 -0.038,635 -0.183,636 -0.076,637 0.052,638 -0.011,639 -0.001,640 0.086,641 0.01,642 -0.016,643 -0.084,644 -0.037,645 -0.088,646 -0.011,647 -0.068,648 -0.044,649 0.156,650 0.121,651 0.193,652 -0.038,653 0.177,654 0.003,655 -0.158,656 -0.167,657 -0.197,658 -0.072,659 -0.205,660 -0.055,661 0.039,662 -0.092,663 -0.016,664 -0.172,665 -0.054,666 2.143,667 5.395,668 0.774,669 34.714,670 0.992,671 1.119,672 4.131,673 17.068,674 0.673,675 3.584,676 3.951,677 4.277,678 4.635,679 4.89,680 5.017,681 5.247,682 5.398,683 5.489,684 5.587,685 6.931,686 0.635,687 413.56,688 3.584,689 5.153,690 6.033,691 6.952,692 7.86,693 8.794,694 9.72,695 10.665,696 11.604,697 12.557,698 5.2,701 1,704 1,705 1,715 13,720 5,722 18,736 1,737 1,741 58,743 19,744 3,745 35,747 62,748 26,749 18,750 5,751 13,756 5,757 8,763 1,764 1,766 1,767 1,770 1,772 19,773 7,777 1,782 1,786 1,793 27,794 5,795 1,796 5,802 3,808 0.6,809 2,825 1,828 2,829 3,831 1,832 1,835 1,855 1,859 3,864 2,868 31,876 3,877 1,878 1,880 1,881 2,882 1,893 3.4,896 1,898 1,901 15.25,902 10.9,903 6.653,904 3.458,907 2.866,908 1.349,909 0.994,910 5.205,911 11.089,912 3.829,913 4.401,914 4.925,915 5.487,916 5.995,917 6.133,918 6.541,919 6.907,920 7.172,921 7.479,922 1,923 52,924 11.485,926 4.958,927 0.026,929 7.567,931 22.423,933 19.139,936 2.067,937 64.083,941 306.049,942 171.049,943 24.259,945 36.145,948 171.049,949 342.193,950 24.259,951 17.222,952 24.757,953 123.191,954 25.145,955 34.377,956 18.534,957 294.278,959 306.049,960 195.309,961 36.145,964 282.506,965 59.687,968 36.706,969 158.602,972 306.049,973 60.404,974 171.049,977 306.049,978 30.637,979 146.661,980 18.011,981 36.145,982 306.049,983 60.404,984 171.049,986 0.587,987 0.345,988 0.199,989 0.111,990 27,991 11,992 0.081,993 5,994 2,995 1.167,996 4.223,997 297.3,998 0.167,999 24,1000 143.58,1005 20.105,1006 8.026,1007 3.708,1009 60.404,1010 25.975,1015 5.053,1017 18.011,1018 537.502,1019 45,1024 12.395,1028 -0.476,1031 57.563,1032 64.896,1034 0.243,1035 0.563,1036 0.747,1037 0.859,1038 0.901,1039 0.907,1040 5.097,1041 1.564,1042 6.052,1043 5.106,1044 4.635,1045 5.088,1046 2.511,1047 6.963,1048 4.568,1049 6.3,1050 1.4,1051 7.67,1052 4.471,1053 4.369,1054 4.808,1055 1.905,1056 8.275,1057 4.268,1058 7.618,1059 1.354,1060 9.411,1061 3.132,1062 6.34,1063 7.187,1064 3.546,1065 11.458,1066 6.211,1067 8.972,1068 1.132,1069 11.236,1070 3.023,1071 6.957,1072 7.687,1073 3.617,1074 13.728,1075 6.806,1076 10.365,1077 1,1078 13.121,1079 2.99,1080 8.445,1081 9.576,1082 4.916,1083 16.556,1084 8.271,1085 11.787,1086 1,1087 15.052,1088 2.136,1089 9.469,1090 10.467,1091 5.294,1092 19.154,1093 9.28,1094 13.234,1095 0.753,1096 17.018,1097 2.136,1098 10.81,1099 12.132,1100 6.389,1101 21.907,1102 10.602,1103 3.744,1104 0.087,1105 19.011,1106 1.98,1107 12.01,1108 13.245,1109 6.931,1110 24.6,1111 11.786,1112 2.723,1113 15.366,1114 21.025,1115 0.24,1116 13.318,1117 14.794,1118 7.902,1119 27.337,1120 13.076,1121 2.653,1122 9.221,1123 23.055,1124 4.211,1125 14.59,1126 16.039,1127 8.539,1128 30.058,1129 14.329,1130 2.553,1131 8.694,1132 25.097,1133 3.485,1134 15.897,1135 17.527,1136 9.436,1137 32.791,1138 15.617,1139 2.32,1140 7.562,1141 27.149,1142 3.451,1143 17.196,1144 18.851,1145 10.13,1146 35.52,1147 16.897,1148 2.288,1149 6.896,1150 29.207,1151 3.301,1152 18.508,1153 20.309,1154 10.981,1155 38.252,1156 18.188,1157 1.915,1158 6.791,1159 31.271,1160 2.857,1161 19.819,1162 21.679,1163 11.71,1164 40.983,1165 19.478,1166 12406,1167 18731,1168 23.75,1169 39.063,1170 53.58,1171 54.088,1172 54.655,1173 52.971,1174 52.97,1175 66.852,1176 9.039,1177 159.487,1178 51.286,1179 5.81,1180 5.983,1181 7.815,1182 5.809,1183 5.744,1184 7.211,1185 3.889,1186 23.914,1187 5.661,1188 12.213,1189 1.531,1190 1.545,1191 1.562,1192 1.513,1193 1.513,1194 1.91,1195 0.258,1196 4.557,1197 1.465,1198 4.106,1199 4.143,1200 4.053,1201 4.011,1202 7.435,1203 4.016,1204 3.899,1205 3.934,1206 3.832,1207 3.827,1208 4.854,1209 3.82,1210 3.881,1211 3.913,1212 3.808,1213 3.82,1214 4.758,1215 3.816,1216 3.698,1217 3.741,1218 3.613,1219 3.562,1220 4.734,1221 3.566,1222 3.391,1223 3.42,1224 3.334,1225 3.126,1226 4.428,1227 3.161,1228 3.256,1229 3.345,1230 3.121,1231 3.057,1232 4.136,1233 3.068,1234 3.224,1235 3.297,1236 3.036,1237 3.011,1238 3.891,1239 3.014,1240 2.981,1241 3.094,1242 2.764,1243 2.783,1244 3.883,1245 2.759,1246 0.138,1247 0.114,1248 0.229,1249 0.135,1250 0.107,1251 4.839,1252 0.12,1253 3.983,1254 0.062,1255 8.013,1256 0.439,1257 4.72,1258 0.105,1259 3.744,1260 4.211,1261 2.186,1262 15.366,1263 3.661,1264 1.928,1265 1.903,1266 2.046,1267 2.026,1268 1.31,1269 2.031,1270 1.893,1271 1.866,1272 2.012,1273 1.994,1274 1.192,1275 2.001,1276 1.877,1277 1.848,1278 1.994,1279 1.955,1280 1.061,1281 1.97,1282 1.615,1283 1.564,1284 1.808,1285 1.803,1286 1.02,1287 1.804,1288 1.531,1289 1.449,1290 1.781,1291 1.75,1292 0.995,1293 1.772,1294 1.242,1295 1.203,1296 1.486,1297 1.543,1298 0.654,1299 1.495,1300 1.155,1301 1.101,1302 1.453,1303 1.398,1304 0.563,1305 1.409,1306 1.014,1307 0.899,1308 1.316,1309 1.291,1310 0.361,1311 1.353,1312 4.263,1314 5.617,1315 3.045,1316 7.171,1317 5.638,1318 8.823,1319 7.928,1320 10.536,1322 4.531,1328 2.977,1329 2.783,1330 5.635,1332 0.288,1333 4.928,1334 -0.006,1340 36.815,1341 82.415,1342 191.446,1343 253.883,1344 291.988,1345 306.253,1346 308.253,1347 44.22,1348 8.222,1349 44.81,1350 44.81,1351 28,1352 13.047,1353 4.322,1354 3.459,1355 43.609,1356 126,1357 145,1358 0.168,1359 222.306,1360 388.04,1361 534.186,1362 43885,1364 21.424,1365 0.691,1366 0.578,1367 21.424,1368 17.915,1369 15.043,1370 0.43,1371 0.307,1372 10.618,1373 14.599,1374 10.296,1375 8.548,1376 15.043,1377 10.737,1378 13.981,1379 0.274,1380 0.17,1381 13.981,1382 8.695,1383 11.91,1384 0.168,1385 0.093,1386 11.91,1387 6.586,1388 10.697,1389 0.105,1390 0.05,1391 10.697,1392 5.144,1393 8.8,1394 0.067,1395 0.028,1396 8.8,1397 3.66,1398 0.263,1399 93.255,1400 0.205,1401 29.026,1402 0.467,1403 172,1404 423.094,1405 185.692,1406 414.519,1407 581.27,1408 390,1409 208,1410 442.444,1411 222.142,1412 451.46,1413 665.98,1414 424,1415 6.61}
{0 CHEMBL320291,1 1.815,2 12.857,3 3.194,4 10.2,5 113.737,6 8.03,7 0.379,8 4.032,9 4.153,10 3.681,11 3.479,12 5.24,13 3.457,14 4.549,15 4.729,16 3.973,17 3.844,18 5.86,19 3.8,20 4.705,21 4.883,22 4.045,23 3.95,24 5.833,25 3.889,26 4.887,27 5.118,28 4.085,29 3.987,30 6.071,31 3.906,32 4.819,33 5.016,34 3.989,35 3.897,36 6.048,37 3.835,38 4.805,39 5.019,40 3.934,41 3.826,42 6.308,43 3.715,44 4.553,45 4.771,46 3.776,47 3.688,48 5.658,49 3.555,50 4.552,51 4.803,52 3.513,53 3.604,54 5.567,55 3.454,56 0.279,57 0.768,58 10.541,59 4.428,60 9.122,61 5.708,62 0.569,63 1.132,64 24.263,65 7.441,66 78.981,67 9.532,68 0.565,69 1.275,70 26.782,71 8.68,72 37.041,73 11.339,74 0.801,75 1.352,76 34.258,77 10.255,78 77.19,79 13.965,80 0.979,81 1.215,82 30.849,83 8.927,84 85.174,85 11.343,86 1.274,87 1.154,88 34.981,89 8.765,90 199.312,91 11.781,92 0.588,93 0.97,94 27.526,95 7.742,96 69.82,97 9.82,98 0.648,99 0.901,100 32.128,101 8.01,102 85.961,103 10.243,104 67,105 39,106 0.305,107 0.578,108 0.735,109 0.802,110 0.822,111 0.828,112 3.373,113 0.999,114 -3.27,115 -3.26,116 -3.12,121 33.3,126 3,127 4,144 4,146 4,154 2,168 4,176 1,179 2,180 4,185 2,191 1,192 8,195 2,197 3,200 2,205 1,206 5,209 4,210 1,214 1,218 4,222 2,227 1,231 4,232 2,235 5,237 1,239 1,244 2,249 2,256 2,264 1,268 1,269 4,272 1,277 2,281 1318,282 18.284,283 18.284,284 18.284,285 18.284,286 18.284,287 16.357,288 30.193,289 10.926,290 18.856,291 14.25,292 14.25,293 14.25,294 14.25,295 14.25,296 11.237,297 46.27,298 5.096,299 15.065,300 3.858,301 2.24,302 1.304,303 0.907,304 0.79,305 0.75,306 4.035,311 1,312 1,313 730,314 4.359,317 94.694,318 109.894,325 1.816,326 39.164,329 1,330 0.67,331 0.83,332 1,333 1,334 0.67,335 0.5,336 0.81,337 63.5,338 360,339 4.544,340 4.25,341 6.586,342 4.098,343 3.128,344 4.314,345 3.272,346 10.446,347 3.031,348 4.143,349 3.847,350 6.193,351 3.75,352 2.763,353 3.748,354 2.612,355 8.93,356 2.728,357 4.124,358 3.76,359 5.675,360 3.64,361 2.68,362 3.735,363 2.612,364 7.971,365 2.569,366 3.621,367 2.998,368 5.102,369 3.178,370 2.244,371 3.041,372 0.916,373 6.084,374 2.097,375 3.371,376 2.854,377 5.029,378 3.06,379 2.1,380 2.508,381 0.4,382 5.897,383 2.014,384 3.257,385 2.69,386 4.671,387 2.762,388 1.837,389 2.46,390 0.4,391 4.555,392 1.704,393 2.918,394 2.393,395 4.338,396 2.679,397 1.738,398 1.955,399 0.172,400 4.339,401 1.625,402 2.793,403 2.236,404 3.815,405 2.386,406 1.472,407 1.843,409 3.225,410 1.323,411 2.603,412 1.745,413 3.69,414 2.128,415 1.142,416 1.605,418 2.806,419 1.122,420 2.215,421 1.665,422 3.287,423 1.778,424 0.833,425 1.094,427 1.891,428 0.776,429 1.928,430 1.202,431 3.173,432 1.588,433 0.67,434 0.83,436 1.573,437 0.606,438 1.725,439 1,440 2.936,441 1.449,442 0.51,443 0.599,445 0.87,446 0.478,447 1.237,448 1,449 2.677,450 0.98,451 0.054,452 0.062,454 0.124,455 0.049,456 1,457 0.876,458 2.499,459 0.659,460 -0.291,461 -0.328,463 -0.714,464 -0.274,465 1,466 0.757,467 2.341,468 0.476,469 -0.448,470 -0.519,472 -1.045,473 -0.407,474 13,475 0.464,476 0.774,477 0.028,478 35.25,479 1.259,480 17,481 0.607,482 18.25,483 0.652,484 23.243,485 0.83,486 32.6,487 0.639,488 27.965,489 0.999,490 6.856,491 0.245,492 6.456,493 0.231,494 0.218,496 0.323,501 0.49,502 1.391,503 0.731,504 1.07,505 0.493,506 1.041,507 0.735,508 1.121,509 1.071,510 1.109,511 0.361,512 0.902,513 0.842,514 1.282,515 1.012,516 1.267,517 0.559,518 1.174,519 0.717,520 1.036,521 0.83,522 1.015,523 0.749,524 0.955,525 1.273,526 0.909,527 1.063,528 0.935,529 1.217,530 1.034,531 0.904,532 0.936,533 1.191,534 1.064,535 0.969,536 1.074,537 1.015,538 1.112,539 1.162,540 1.231,541 1.07,542 1.128,543 1.043,544 0.935,545 1.448,546 1.234,547 1.096,548 0.95,549 6.5,550 0.144,551 2.667,552 2.194,553 1.689,554 1.309,555 0.402,556 0.272,557 0.181,558 0.2,559 9882,560 34106,561 1.916,562 45.1,564 21,567 2,572 1.705,573 1.75,574 3.597,575 0.388,576 1,577 1,582 92.546,583 1.815,584 3.432,585 4.368,586 4.765,587 4.883,588 4.922,589 3.023,590 4.45,591 4.779,592 3.831,593 1448.19,594 8.282,595 20531.4,597 1,599 1,600 289.294,601 1.55,602 4.706,603 0.224,604 0.006,605 0.068,606 0.056,607 0.042,608 0.037,609 0.014,610 0.012,611 0.009,612 0.009,613 0.478,614 0.33,615 0.75,616 1.244,617 144.396,618 0.198,619 -0.07,620 0.071,621 0.022,622 0.014,623 -0.03,624 0.052,625 0.057,626 -0.014,627 0.044,628 0.26,629 0.119,630 -0.036,631 -0.158,632 -0.066,633 -0.182,634 0.005,635 -0.154,636 0.117,637 -0.056,638 0.142,639 -0.021,640 0.07,641 0.056,642 -0.128,643 0.076,644 -0.105,645 0.017,646 -0.143,647 -0.088,648 0.219,649 0.022,650 -0.054,651 -0.013,652 0.292,653 -0.104,654 -0.119,655 -0.101,656 0.025,657 -0.057,658 -0.108,659 -0.089,660 -0.134,661 0.006,662 -0.099,663 0.006,664 -0.123,665 0.111,666 2.646,667 4.25,668 0.393,669 29.286,670 1.023,671 1.141,672 2.04,673 4.163,674 0.643,675 3.401,676 3.689,677 3.871,678 4.094,679 4.205,680 4.263,681 4.159,682 3.912,683 3.829,684 3.871,685 7.69,686 0.62,687 409.52,688 3.401,689 4.92,690 5.733,691 6.594,692 7.434,693 8.301,694 9.151,695 10.02,696 10.874,697 11.744,698 9.8,701 1,703 2,709 2,715 4,718 1,720 6,722 11,734 2,735 2,741 51,743 15,744 1,745 29,747 52,748 17,749 10,750 4,751 2,756 2,757 2,772 10,773 7,777 4,779 2,782 4,790 1,792 1,793 23,794 8,795 2,796 11,797 1,802 5,808 1,809 5,828 1,829 1,855 1,859 2,860 1,862 1,864 3,868 28,876 4,877 2,879 1,881 1,893 9.8,898 1,899 4,901 16,902 9.933,903 6.361,904 2.719,907 2.197,908 1.321,909 0.919,910 8.411,911 9.05,912 3.676,913 4.245,914 4.702,915 5.236,916 5.605,917 5.907,918 5.948,919 5.715,920 5.423,921 5.48,922 1,923 39,924 10.352,926 4.292,927 0.026,929 8.155,931 19.034,933 14.637,936 2.655,937 74.333,940 1,941 247.193,942 123.249,943 50.486,945 111.001,947 32.22,948 91.03,949 358.194,950 50.486,951 36.529,952 6.011,953 37.905,954 36.022,955 23.659,956 10.898,957 279.413,958 101.494,959 247.193,960 141.515,961 111.001,962 32.22,964 247.193,965 9.507,966 101.494,968 9.135,969 85.019,970 47.362,971 32.22,972 247.193,973 161.487,974 123.249,977 247.193,978 60.155,979 77.559,980 36.022,981 111.001,982 247.193,983 161.487,984 123.249,986 0.572,987 0.317,988 0.174,989 0.094,990 15,991 9,992 0.212,993 11,995 1,996 3.933,997 217.117,999 11,1000 128.606,1001 1,1005 22.329,1006 10.547,1007 6.563,1009 150.147,1010 6.255,1013 5.731,1015 1.581,1017 36.022,1018 531.929,1019 38.5,1021 -1.274,1024 44.639,1031 52.174,1032 58.195,1034 0.32,1035 0.605,1036 0.77,1037 0.84,1038 0.861,1039 0.868,1040 4.896,1041 1.472,1042 5.72,1043 4.339,1044 4.369,1045 4.931,1046 3.849,1047 6.497,1048 4.278,1049 6.103,1050 1.142,1051 7.265,1052 3.225,1053 4.007,1054 4.913,1055 3.025,1056 7.376,1057 3.907,1058 7.413,1059 0.833,1060 8.909,1061 2.806,1062 5.927,1063 7.124,1064 5.877,1065 10.432,1066 5.771,1067 8.76,1068 0.67,1069 10.612,1070 1.891,1071 6.347,1072 7.908,1073 5.197,1074 12.132,1075 6.187,1076 10.139,1077 0.51,1078 12.354,1079 1.573,1080 7.769,1081 9.631,1082 8.078,1083 14.714,1084 7.564,1085 11.538,1086 0.054,1087 14.122,1088 0.87,1089 8.55,1090 10.76,1091 7.249,1092 16.763,1093 8.334,1094 12.955,1095 -0.291,1096 15.909,1097 0.124,1098 9.777,1099 12.304,1100 10.347,1101 19.176,1102 9.525,1103 3.128,1104 -0.448,1105 17.712,1106 -0.714,1107 10.731,1108 13.59,1109 9.241,1110 21.379,1111 10.46,1112 2.763,1113 10.446,1114 19.527,1115 -1.045,1116 11.882,1117 15.066,1118 12.655,1119 23.733,1120 11.579,1121 2.68,1122 8.93,1123 21.351,1124 4.314,1125 12.92,1126 16.427,1127 11.202,1128 26.005,1129 12.592,1130 2.244,1131 7.971,1132 23.184,1133 3.748,1134 14.043,1135 17.877,1136 14.987,1137 28.341,1138 13.685,1139 2.1,1140 6.084,1141 25.022,1142 3.735,1143 15.122,1144 19.276,1145 13.145,1146 30.645,1147 14.735,1148 1.837,1149 5.897,1150 26.866,1151 3.041,1152 16.239,1153 20.719,1154 17.333,1155 32.978,1156 15.821,1157 1.738,1158 4.555,1159 28.714,1160 2.508,1161 17.339,1162 22.139,1163 15.079,1164 35.299,1165 16.891,1166 10068,1167 18992,1168 18.205,1169 32.801,1170 42.623,1171 47.034,1172 44.441,1173 42.298,1174 42.345,1175 55.587,1176 20.772,1177 117.424,1178 40.245,1179 5.466,1180 6.25,1181 6.353,1182 5.211,1183 5.128,1184 7.314,1185 6.545,1186 17.269,1187 5.031,1188 18.858,1189 1.47,1190 1.622,1191 1.532,1192 1.459,1193 1.46,1194 1.917,1195 0.716,1196 4.049,1197 1.388,1198 4.061,1199 4.09,1200 4.05,1201 3.901,1202 7.819,1203 3.923,1204 3.942,1205 3.955,1206 3.969,1207 3.803,1208 7.811,1209 3.812,1210 3.663,1211 3.694,1212 3.72,1213 3.464,1214 6.999,1215 3.405,1216 3.568,1217 3.641,1218 3.652,1219 3.288,1220 6.999,1221 3.305,1222 3.514,1223 3.582,1224 3.393,1225 3.183,1226 5.034,1227 3.252,1228 3.408,1229 3.481,1230 3.352,1231 3.04,1232 4.693,1233 3.093,1234 3.193,1235 3.253,1236 3.129,1237 2.933,1238 4.273,1239 2.936,1240 3.037,1241 3.11,1242 2.908,1243 2.805,1244 4.23,1245 2.82,1246 0.157,1247 0.147,1248 0.227,1249 0.141,1250 0.108,1251 4.544,1252 0.149,1253 4.25,1254 0.113,1255 6.586,1256 0.36,1257 4.098,1258 0.105,1259 3.128,1260 4.314,1261 3.272,1262 10.446,1263 3.031,1264 1.946,1265 1.92,1266 2.01,1267 2.148,1268 1.172,1269 2.095,1270 1.648,1271 1.593,1272 1.868,1273 1.882,1274 1.067,1275 1.881,1276 1.601,1277 1.571,1278 1.75,1279 1.85,1280 1.032,1281 1.79,1282 1.447,1283 1.388,1284 1.67,1285 1.749,1286 0.854,1287 1.701,1288 1.346,1289 1.286,1290 1.626,1291 1.664,1292 0.661,1293 1.64,1294 1.282,1295 1.22,1296 1.526,1297 1.624,1298 0.652,1299 1.601,1300 1.214,1301 1.157,1302 1.417,1303 1.53,1304 0.469,1305 1.533,1306 1.02,1307 0.97,1308 1.275,1309 1.37,1310 0.362,1311 1.338,1312 4.078,1314 5.371,1315 2.398,1316 6.834,1317 4.595,1318 8.389,1319 6.555,1320 10.002,1322 5.473,1328 2.591,1329 5.688,1331 1.627,1333 2.024,1340 31.609,1341 92.546,1342 175.052,1343 222.764,1344 243.029,1345 249.029,1346 251.029,1347 86.789,1348 6.853,1349 132.08,1350 157.38,1351 11,1352 12.291,1353 4,1354 3.392,1355 62.406,1356 130,1357 128,1358 0.231,1359 203.645,1360 355.12,1361 488.654,1362 8542,1364 20.681,1365 0.739,1366 0.598,1367 21.035,1368 16.745,1369 13.312,1370 0.459,1371 0.333,1372 8.4,1373 11.934,1374 8.01,1375 6.724,1376 13.812,1377 9.655,1378 12.028,1379 0.308,1380 0.188,1381 12.526,1382 7.341,1383 8.74,1384 0.186,1385 0.101,1386 9.296,1387 4.754,1388 7.21,1389 0.122,1390 0.056,1391 7.718,1392 3.295,1393 5.254,1394 0.08,1395 0.033,1396 5.769,1397 2.173,1398 0.377,1399 91.278,1400 0.234,1401 27.392,1402 0.598,1403 136,1404 531.139,1405 176.026,1406 517.233,1407 666.74,1408 474,1409 154,1410 464.881,1411 191.263,1412 465.955,1413 663.37,1414 429,1415 6.796}
{0 CHEMBL321605,1 1.859,2 12.857,3 2.496,4 6.23,5 113.324,6 8.21,7 0.379,8 4.024,9 4.15,10 3.684,11 3.451,12 5.277,13 3.439,14 4.521,15 4.694,16 3.975,17 3.821,18 5.863,19 3.786,20 4.692,21 4.867,22 4.049,23 3.925,24 5.847,25 3.872,26 4.878,27 5.112,28 4.091,29 3.951,30 6.093,31 3.88,32 4.795,33 4.991,34 3.999,35 3.851,36 6.121,37 3.799,38 4.764,39 4.977,40 3.934,41 3.784,42 6.29,43 3.68,44 4.532,45 4.749,46 3.786,47 3.643,48 5.759,49 3.519,50 4.501,51 4.752,52 3.517,53 3.55,54 5.529,55 3.416,56 0.323,57 0.764,58 10.149,59 4.161,60 13.039,61 5.326,62 0.593,63 1.106,64 23.107,65 7.076,66 81.221,67 9.01,68 0.611,69 1.245,70 25.843,71 8.253,72 38.847,73 10.85,74 0.89,75 1.298,76 34.036,77 9.681,78 83.742,79 13.391,80 1.102,81 1.153,82 29.914,83 8.291,84 111.639,85 10.606,86 1.263,87 1.086,88 33.413,89 8.235,90 193.038,91 11.18,92 0.699,93 0.923,94 26.918,95 7.113,96 98.636,97 9.183,98 0.658,99 0.846,100 31.265,101 7.106,102 85.489,103 9.485,104 67,105 39,106 0.314,107 0.618,108 0.779,109 0.813,110 0.834,111 0.847,112 3.373,113 0.977,114 -3.12,115 -3.11,116 -2.99,121 32,126 2,127 4,144 4,146 4,154 2,165 1,166 1,167 1,168 4,173 1,175 1,176 1,179 2,180 4,185 2,191 1,192 8,195 2,197 4,200 2,203 1,205 1,206 5,208 1,209 5,210 1,211 1,214 1,216 1,218 4,221 2,222 4,223 1,226 1,227 1,231 4,232 2,234 1,235 6,237 1,239 1,244 2,246 2,247 2,249 2,256 2,261 1,264 1,266 1,268 1,269 4,272 1,277 2,281 1318,282 18.284,283 18.284,284 18.284,285 18.284,286 18.284,287 16.357,288 28.612,289 10.926,290 18.846,291 14.25,292 14.25,293 14.25,294 14.25,295 14.25,296 11.237,297 39.502,298 5.096,299 15.044,300 3.785,301 1.986,302 1.03,303 0.83,304 0.71,305 0.63,306 4.035,311 1,312 1,313 730,314 4.359,317 94.694,318 109.894,325 1.816,326 40.839,329 0.75,330 0.67,331 0.67,332 0.9,333 0.5,334 0.5,336 0.57,337 64,338 360,339 4.544,340 4.25,341 6.586,342 4.099,343 3.128,344 4.314,345 3.272,346 10.446,347 3.033,348 4.143,349 3.846,350 6.193,351 3.75,352 2.763,353 3.748,354 2.612,355 8.93,356 2.728,357 4.124,358 3.76,359 5.675,360 3.641,361 2.68,362 3.735,363 2.612,364 7.971,365 2.571,366 3.621,367 2.998,368 5.102,369 3.178,370 2.244,371 3.041,372 0.916,373 6.084,374 2.097,375 3.371,376 2.848,377 5.029,378 3.062,379 2.1,380 2.508,381 0.4,382 5.897,383 2.017,384 3.257,385 2.689,386 4.671,387 2.765,388 1.837,389 2.46,390 0.172,391 4.555,392 1.71,393 2.918,394 2.38,395 4.338,396 2.68,397 1.738,398 1.955,400 4.339,401 1.625,402 2.793,403 2.235,404 3.815,405 2.387,406 1.472,407 1.843,409 3.225,410 1.324,411 2.603,412 1.741,413 3.69,414 2.129,415 1.142,416 1.605,418 2.806,419 1.123,420 2.215,421 1.655,422 3.287,423 1.778,424 0.833,425 1.094,427 1.891,428 0.776,429 1.928,430 1.187,431 3.173,432 1.589,433 0.67,434 0.83,436 1.573,437 0.606,438 1.725,439 1,440 2.936,441 1.494,442 0.51,443 0.599,445 0.87,446 0.501,447 1.237,448 1,449 2.677,450 0.987,451 0.054,452 0.062,454 0.124,455 0.05,456 1,457 0.769,458 2.499,459 0.663,460 -0.291,461 -0.328,463 -0.714,464 -0.275,465 1,466 0.745,467 2.341,468 0.487,469 -0.448,470 -0.519,472 -1.045,473 -0.41,474 12.9,475 0.461,476 0.774,477 0.028,478 35,479 1.25,480 17,481 0.607,482 18,483 0.643,484 23.536,485 0.841,486 32.7,487 0.654,488 27.673,489 0.988,490 6.782,491 0.242,492 6.529,493 0.233,494 0.212,496 0.326,501 0.522,502 1.242,503 0.734,504 0.995,505 0.543,506 0.985,507 0.743,508 1.161,509 1.087,510 1.157,511 0.38,512 0.931,513 0.845,514 1.335,515 1.013,516 1.313,517 0.56,518 1.208,519 0.72,520 1.025,521 0.822,522 1.014,523 0.756,524 0.947,525 1.223,526 0.855,527 1.058,528 0.91,529 1.172,530 1.026,531 0.82,532 0.933,533 1.173,534 1.099,535 0.87,536 1.091,537 0.978,538 1.082,539 1.169,540 1.212,541 1.032,542 1.121,543 0.984,544 0.981,545 1.456,546 1.307,547 0.995,548 0.959,549 6.5,550 0.144,551 2.667,552 2.194,553 1.689,554 1.309,555 0.402,556 0.272,557 0.181,558 0.2,559 9882,560 35578,561 1.916,562 44,564 18,567 4,572 1.705,573 1.75,574 3.597,575 1.839,576 1,577 1,582 92.966,583 1.859,584 3.658,585 4.614,586 4.814,587 4.934,588 5.014,589 3.023,590 4.45,591 4.779,592 3.831,593 1448.19,594 8.282,595 20531.4,597 1,599 1,600 282.193,601 1.55,602 4.706,603 0.224,604 0.006,605 0.068,606 0.056,607 0.042,608 0.037,609 0.014,610 0.012,611 0.009,612 0.009,613 0.478,614 0.17,615 0.75,616 1.244,617 144.396,618 0.18,619 0.101,620 0.058,621 0.09,622 -0.005,623 0.01,624 0.035,625 0.036,626 -0.04,627 0.029,628 0.245,629 0.101,630 -0.046,631 -0.202,632 -0.075,633 -0.211,634 0.004,635 -0.179,636 0.12,637 -0.057,638 0.158,639 -0.02,640 0.066,641 0.068,642 -0.074,643 0.123,644 -0.096,645 0.04,646 -0.085,647 -0.085,648 0.253,649 0.024,650 -0.031,651 -0.025,652 0.309,653 -0.104,654 -0.062,655 -0.072,656 0.032,657 -0.032,658 -0.041,659 -0.085,660 -0.115,661 -0.029,662 -0.086,663 -0.034,664 -0.103,665 0.12,666 2.726,667 4.219,668 0.393,669 29.286,670 1.028,671 1.146,672 1.886,673 3.555,674 0.641,675 3.401,676 3.689,677 3.871,678 4.094,679 4.205,680 4.263,681 4.159,682 3.912,683 3.829,684 3.871,685 7.69,686 0.622,687 410.51,688 3.401,689 4.92,690 5.733,691 6.594,692 7.434,693 8.301,694 9.151,695 10.02,696 10.874,697 11.744,698 12,701 1,702 1,703 2,709 2,715 4,718 1,720 6,722 11,734 1,735 2,741 50,743 15,744 1,745 29,747 51,748 16,749 10,750 4,751 2,756 2,757 2,772 10,773 6,777 4,779 2,782 4,790 1,792 1,793 22,794 9,795 4,796 12,797 1,802 6,806 1,808 1,809 5,828 1,829 1,855 1,859 2,860 1,862 1,864 2,868 28,869 1,876 4,877 2,879 1,881 1,893 10,898 1,899 4,901 16,902 9.267,903 6.361,904 2.553,907 2.197,908 1.321,909 0.925,910 8.374,911 9.05,912 3.676,913 4.245,914 4.702,915 5.236,916 5.605,917 5.907,918 5.948,919 5.715,920 5.423,921 5.48,922 1,923 39,924 10.33,926 4.315,927 0.026,929 8.226,931 18.827,933 14.506,936 2.726,937 76.333,940 1,941 211.88,942 114.853,943 83.138,945 111.001,947 32.22,948 82.633,949 322.881,950 83.138,951 28.133,952 6.011,953 70.68,954 35.899,955 23.659,956 10.898,957 244.099,958 101.494,959 211.88,960 165.771,961 111.001,962 32.22,964 211.88,965 9.507,966 101.494,968 9.135,969 109.397,970 47.239,971 32.22,972 211.88,973 194.139,974 114.853,977 211.88,978 60.155,979 69.162,980 35.899,981 143.776,982 211.88,983 194.139,984 114.853,986 0.572,987 0.317,988 0.174,989 0.094,990 15,991 9,992 0.216,993 11,995 1,996 3.933,997 217.117,999 11,1000 128.606,1001 1,1005 22.291,1006 10.519,1007 6.542,1009 182.799,1010 6.024,1013 5.718,1015 1.07,1017 68.674,1018 520.872,1019 38.5,1021 -1.395,1024 44.465,1031 51.393,1032 57.278,1034 0.329,1035 0.648,1036 0.817,1037 0.853,1038 0.874,1039 0.888,1040 4.896,1041 1.472,1042 5.72,1043 4.339,1044 4.369,1045 4.931,1046 3.842,1047 6.497,1048 4.28,1049 6.103,1050 1.142,1051 7.265,1052 3.225,1053 4.007,1054 4.913,1055 3.025,1056 7.376,1057 3.907,1058 7.413,1059 0.833,1060 8.909,1061 2.806,1062 5.927,1063 7.124,1064 5.877,1065 10.432,1066 5.774,1067 8.76,1068 0.67,1069 10.612,1070 1.891,1071 6.347,1072 7.908,1073 5.197,1074 12.132,1075 6.188,1076 10.139,1077 0.51,1078 12.354,1079 1.573,1080 7.769,1081 9.631,1082 8.078,1083 14.714,1084 7.567,1085 11.538,1086 0.054,1087 14.122,1088 0.87,1089 8.55,1090 10.76,1091 7.249,1092 16.763,1093 8.337,1094 12.955,1095 -0.291,1096 15.909,1097 0.124,1098 9.777,1099 12.304,1100 10.347,1101 19.176,1102 9.528,1103 3.128,1104 -0.448,1105 17.712,1106 -0.714,1107 10.731,1108 13.59,1109 9.241,1110 21.379,1111 10.464,1112 2.763,1113 10.446,1114 19.527,1115 -1.045,1116 11.882,1117 15.066,1118 12.655,1119 23.733,1120 11.583,1121 2.68,1122 8.93,1123 21.351,1124 4.314,1125 12.92,1126 16.427,1127 11.202,1128 26.005,1129 12.596,1130 2.244,1131 7.971,1132 23.184,1133 3.748,1134 14.043,1135 17.877,1136 14.987,1137 28.341,1138 13.69,1139 2.1,1140 6.084,1141 25.022,1142 3.735,1143 15.122,1144 19.276,1145 13.145,1146 30.645,1147 14.741,1148 1.837,1149 5.897,1150 26.866,1151 3.041,1152 16.239,1153 20.719,1154 17.333,1155 32.978,1156 15.827,1157 1.738,1158 4.555,1159 28.714,1160 2.508,1161 17.339,1162 22.139,1163 15.079,1164 35.299,1165 16.898,1166 10068,1167 19408,1168 18.205,1169 32.046,1170 42.623,1171 47.112,1172 44.441,1173 42.33,1174 42.345,1175 55.587,1176 19.972,1177 117.424,1178 40.324,1179 5.466,1180 6.25,1181 6.353,1182 5.211,1183 5.128,1184 7.314,1185 6.545,1186 17.269,1187 5.033,1188 18.858,1189 1.47,1190 1.625,1191 1.532,1192 1.46,1193 1.46,1194 1.917,1195 0.689,1196 4.049,1197 1.39,1198 4.06,1199 4.088,1200 4.049,1201 3.898,1202 7.819,1203 3.919,1204 3.942,1205 3.955,1206 3.969,1207 3.803,1208 7.811,1209 3.811,1210 3.661,1211 3.692,1212 3.72,1213 3.463,1214 6.999,1215 3.404,1216 3.568,1217 3.64,1218 3.652,1219 3.287,1220 6.999,1221 3.302,1222 3.513,1223 3.58,1224 3.389,1225 3.154,1226 5.128,1227 3.243,1228 3.369,1229 3.438,1230 3.348,1231 2.995,1232 5.033,1233 3.048,1234 3.128,1235 3.216,1236 3.098,1237 2.884,1238 4.599,1239 2.884,1240 3.01,1241 3.095,1242 2.863,1243 2.627,1244 4.272,1245 2.68,1246 0.157,1247 0.147,1248 0.227,1249 0.141,1250 0.108,1251 4.544,1252 0.149,1253 4.25,1254 0.113,1255 6.586,1256 0.36,1257 4.099,1258 0.105,1259 3.128,1260 4.314,1261 3.272,1262 10.446,1263 3.033,1264 1.942,1265 1.916,1266 2.002,1267 2.148,1268 1.168,1269 2.092,1270 1.648,1271 1.592,1272 1.868,1273 1.882,1274 1.061,1275 1.881,1276 1.601,1277 1.57,1278 1.744,1279 1.849,1280 1.032,1281 1.788,1282 1.443,1283 1.384,1284 1.663,1285 1.748,1286 0.852,1287 1.687,1288 1.304,1289 1.263,1290 1.526,1291 1.651,1292 0.657,1293 1.63,1294 1.269,1295 1.215,1296 1.417,1297 1.589,1298 0.469,1299 1.536,1300 1.123,1301 1.071,1302 1.388,1303 1.529,1304 0.363,1305 1.519,1306 0.934,1307 0.804,1308 1.256,1309 1.332,1310 0.245,1311 1.308,1312 4.078,1314 5.371,1315 2.398,1316 6.834,1317 4.595,1318 8.389,1319 6.555,1320 10.002,1322 3.928,1326 5.287,1328 2.489,1329 5.132,1331 1.602,1333 2.015,1340 31.104,1341 92.966,1342 182.89,1343 230.683,1344 240.683,1345 246.683,1346 250.683,1347 90.098,1348 6.853,1349 158.1,1350 183.4,1351 11,1352 12.291,1353 4,1354 3.392,1355 62.406,1356 130,1357 128,1358 0.231,1359 200.847,1360 348.82,1361 481.827,1362 8542,1364 20.681,1365 0.739,1366 0.583,1367 21.035,1368 16.323,1369 13.312,1370 0.459,1371 0.326,1372 8.186,1373 11.893,1374 7.854,1375 6.571,1376 13.812,1377 9.443,1378 12.028,1379 0.308,1380 0.186,1381 12.526,1382 7.235,1383 8.74,1384 0.186,1385 0.099,1386 9.296,1387 4.64,1388 7.21,1389 0.122,1390 0.054,1391 7.718,1392 3.211,1393 5.254,1394 0.08,1395 0.032,1396 5.769,1397 2.108,1398 0.377,1399 91.631,1400 0.234,1401 27.392,1402 0.598,1403 136,1404 540.451,1405 176.72,1406 527.486,1407 678.18,1408 482,1409 154,1410 474.349,1411 191.985,1412 474.63,1413 674.07,1414 437,1415 7.119}
{0 CHEMBL321808,1 1.812,2 11.391,3 2.412,4 5.816,5 94.238,6 8.035,7 0.458,8 3.841,9 3.964,10 3.509,11 3.305,12 5.017,13 3.276,14 4.352,15 4.538,16 3.772,17 3.645,18 5.556,19 3.589,20 4.486,21 4.677,22 3.783,23 3.696,24 5.559,25 3.613,26 4.611,27 4.87,28 3.748,29 3.683,30 5.726,31 3.564,32 4.426,33 4.628,34 3.58,35 3.563,36 5.57,37 3.467,38 4.391,39 4.631,40 3.466,41 3.531,42 5.322,43 3.356,44 4.188,45 4.414,46 3.457,47 3.381,48 5.182,49 3.216,50 4.129,51 4.395,52 3.119,53 3.246,54 5,55 3.098,56 0.18,57 0.652,58 8.751,59 3.715,60 9.307,61 4.726,62 0.396,63 0.947,64 20.722,65 6.183,66 45.233,67 7.779,68 0.481,69 1.01,70 22.863,71 6.943,72 30.131,73 8.966,74 0.607,75 1.007,76 28.043,77 7.944,78 61.909,79 10.889,80 0.608,81 0.86,82 21.854,83 6.097,84 60.59,85 7.769,86 0.445,87 0.841,88 23.856,89 6.636,90 42.712,91 9.059,92 0.331,93 0.702,94 19.9,95 5.99,96 35.767,97 7.365,98 0.318,99 0.641,100 21.93,101 5.532,102 24.904,103 7.191,104 22,105 31,106 0.32,107 0.641,108 0.809,109 0.829,110 0.837,111 0.837,112 3.186,113 1.027,114 -2.98,115 -2.98,116 -2.88,121 33.3,126 2,127 4,144 3,146 1,147 1,149 1,154 2,168 3,176 1,179 1,180 4,183 1,191 2,192 5,195 2,197 2,200 1,205 3,206 1,209 2,214 1,218 2,219 1,232 3,235 1,237 1,239 1,244 2,249 1,255 1,256 1,268 2,269 4,272 1,277 1,281 734,282 15.259,283 15.259,284 15.259,285 15.259,286 15.259,287 13.609,288 20.959,289 9.408,290 15.771,291 11.878,292 11.878,293 11.878,294 11.878,295 11.878,296 9.432,297 28.555,298 4.489,299 12.644,300 3.58,301 1.763,302 0.816,303 0.703,304 0.655,305 0.655,306 3.849,310 1,311 1,312 1,313 537,314 3.742,317 73.831,318 89.589,325 1.853,326 23.629,328 1,329 1,330 1,331 0.83,332 1,333 0.5,334 1,335 1,336 0.9,337 51.5,338 262,339 4.384,340 4.25,341 6.403,342 3.914,343 2.958,344 4.093,345 3.272,346 9.738,347 2.825,348 4.124,349 3.803,350 5.675,351 3.75,352 2.763,353 3.735,354 2.612,355 7.971,356 2.728,357 3.56,358 2.998,359 5.03,360 3.178,361 2.244,362 2.973,363 0.916,364 6.084,365 2.097,366 3.37,367 2.743,368 4.913,369 2.959,370 2.019,371 2.507,372 0.4,373 5.329,374 1.896,375 2.964,376 2.654,377 4.338,378 2.701,379 1.787,380 2.118,381 0.172,382 4.342,383 1.632,384 2.906,385 2.245,386 3.805,387 2.547,388 1.601,389 1.952,391 3.411,392 1.505,393 2.62,394 1.754,395 3.623,396 2.296,397 1.387,398 1.611,400 3.019,401 1.239,402 2.58,403 1.629,404 3.466,405 1.988,406 1,407 1.584,409 2.305,410 0.986,411 2.213,412 1.329,413 3.281,414 1.774,415 0.827,416 1.092,418 1.864,419 0.772,420 1.88,421 1,422 3.08,423 1.57,424 0.663,425 0.805,427 1.529,428 0.592,429 1.194,430 1,431 2.561,432 0.932,433 0.011,434 0.012,436 0.026,437 0.01,438 1,439 0.757,440 2.331,441 0.631,442 -0.322,443 -0.361,445 -0.843,446 -0.305,447 0.844,448 0.051,449 2,450 0.354,451 -0.568,452 -0.68,454 -1.334,455 -0.514,456 0.706,457 -0.033,458 1.923,459 0.082,460 -0.853,461 -1,463 -2,464 -0.793,465 0.571,466 -0.6,467 1.679,469 -1,470 -1.147,472 -2,473 -0.9,474 10.833,475 0.471,476 0.527,477 0.023,478 28.5,479 1.239,480 13.5,481 0.587,482 15,483 0.652,484 17.812,485 0.774,486 26.367,487 0.628,488 19.012,489 0.827,490 5.49,491 0.239,492 5.569,493 0.242,494 0.154,496 0.258,501 0.561,502 1.395,503 0.73,504 1.086,505 0.497,506 1.047,507 0.854,508 1.137,509 1.162,510 1.168,511 0.409,512 0.944,513 0.971,514 1.175,515 1.099,516 1.253,517 0.656,518 1.198,519 0.683,520 0.889,521 0.84,522 0.909,523 0.707,524 0.865,525 1.484,526 0.889,527 1.181,528 0.929,529 1.219,530 1.05,531 0.84,532 1.074,533 1.167,534 1.231,535 0.915,536 1.174,537 0.882,538 1.143,539 1.123,540 1.268,541 1.039,542 1.126,543 0.645,544 1.012,545 1.471,546 1.368,547 0.429,548 0.94,549 4.5,550 0.098,551 1.778,552 1.569,553 0.787,554 0.622,555 0.198,556 0.178,557 0.132,558 0.129,559 6223,560 20387,561 1.971,562 45.2,564 17,566 1,567 1,572 1.648,573 1.84,574 3.456,575 -0.155,576 1,577 1,579 1,582 76.099,583 1.812,584 3.629,585 4.576,586 4.69,587 4.737,588 4.737,589 2.877,590 4.002,591 4.499,592 3.688,593 933.158,594 7.696,595 11674.1,596 1,597 1,599 1,600 226.477,601 1.41,602 4.449,603 0.188,604 0.006,605 0.057,606 0.056,607 0.029,608 0.028,609 0.012,610 0.011,611 0.008,612 0.008,613 0.403,614 0.33,615 1,616 1.139,617 111.896,618 0.176,619 -0.111,620 0.08,621 -0.025,622 0.037,623 -0.05,624 0.007,625 0.018,626 -0.064,627 -0.024,628 0.237,629 0.056,630 -0.026,631 -0.103,632 -0.107,633 -0.198,634 -0.022,635 -0.21,636 0.19,637 0.026,638 0.185,639 0.078,640 0.179,641 0.138,642 -0.255,643 0.09,644 -0.181,645 0.062,646 -0.144,647 -0.101,648 -0.021,649 -0.116,650 -0.036,651 -0.097,652 -0.1,653 -0.124,654 -0.034,655 -0.156,656 0.101,657 -0.047,658 -0.091,659 -0.06,660 0.062,661 -0.025,662 -0.113,663 -0.105,664 0.087,665 0.135,666 2.473,667 3.851,668 0.478,669 20.692,670 1.018,671 1.142,672 1.751,673 3.067,674 0.652,675 3.219,676 3.466,677 3.611,678 3.807,679 3.807,680 3.714,681 3.664,682 3.497,683 3.526,684 3.611,685 7.054,686 0.622,687 337.45,688 3.219,689 4.71,690 5.501,691 6.337,692 7.148,693 7.987,694 8.804,695 9.643,696 10.465,697 11.304,698 11.9,701 1,703 1,708 2,709 1,715 4,716 2,718 1,720 4,722 11,734 1,735 1,741 42,743 13,745 24,747 43,748 14,749 8,756 2,757 2,772 8,773 6,777 2,779 1,782 2,789 1,790 1,792 1,793 19,794 7,795 1,796 9,797 1,802 5,808 1,809 3,821 1,828 1,829 1,855 1,859 2,860 1,862 1,864 2,868 23,876 4,877 1,879 1,881 1,893 7.1,898 1,899 2,901 12.5,902 8.05,903 5.222,904 2.246,907 2.148,908 1.334,909 0.921,910 6.832,911 8.579,912 3.481,913 4.003,914 4.438,915 4.941,916 5.169,917 5.127,918 5.212,919 4.912,920 4.997,921 5.231,922 1,923 28,924 8.448,926 3.403,927 0.026,929 7.957,931 15.837,933 12.064,936 2.457,937 56.5,940 1,941 211.88,942 108.482,943 60.131,945 60.254,947 32.22,948 76.262,949 272.134,950 60.131,951 22.463,952 6.011,953 28.429,954 63.108,955 24.436,956 13.226,957 232.328,958 50.747,959 211.88,960 136.393,961 60.254,962 32.22,964 211.88,965 9.507,966 50.747,968 18.183,969 61.204,970 57.007,971 32.22,972 211.88,973 120.385,974 108.482,977 211.88,978 54.213,979 63.063,980 18.011,981 93.58,982 211.88,983 120.385,984 108.482,986 0.563,987 0.303,988 0.167,989 0.081,990 12,991 6,992 0.209,993 9,995 1,996 3.652,997 159.259,999 11,1000 100.042,1001 1,1005 17.726,1006 8.865,1007 5.823,1009 114.715,1010 6.599,1011 7.409,1013 5.715,1015 2.005,1017 18.011,1018 440.747,1019 31.5,1021 -0.473,1024 21.702,1031 42.753,1032 47.946,1034 0.336,1035 0.673,1036 0.849,1037 0.87,1038 0.879,1039 0.879,1040 4.67,1041 1,1042 5.451,1043 3.019,1044 4.143,1045 4.687,1046 3.568,1047 6.163,1048 4.037,1049 5.841,1050 0.827,1051 6.948,1052 2.305,1053 3.611,1054 4.443,1055 2.396,1056 6.905,1057 3.498,1058 7.115,1059 0.663,1060 8.547,1061 1.864,1062 5.631,1063 6.8,1064 5.684,1065 9.951,1066 5.449,1067 8.428,1068 0.011,1069 10.208,1070 1.529,1071 5.916,1072 7.414,1073 4.512,1074 11.577,1075 5.735,1076 9.775,1077 -0.322,1078 11.912,1079 0.026,1080 7.399,1081 9.23,1082 7.951,1083 14.115,1084 7.159,1085 11.146,1086 -0.568,1087 13.646,1088 -0.843,1089 8.082,1090 10.239,1091 6.557,1092 16.109,1093 7.836,1094 12.537,1095 -0.853,1096 15.404,1097 -1.334,1098 9.331,1099 11.827,1100 10.266,1101 18.47,1102 9.035,1103 2.958,1104 -1,1105 17.179,1106 -2,1107 10.212,1108 13.026,1109 8.548,1110 20.62,1111 9.899,1112 2.763,1113 9.738,1114 18.969,1115 -2,1116 11.357,1117 14.511,1118 12.603,1119 22.918,1120 11,1121 2.244,1122 7.971,1123 20.769,1124 4.093,1125 12.334,1126 15.803,1127 10.509,1128 25.134,1129 11.95,1130 2.019,1131 6.084,1132 22.578,1133 3.735,1134 13.433,1135 17.241,1136 14.954,1137 27.411,1138 13.008,1139 1.787,1140 5.329,1141 24.395,1142 2.973,1143 14.457,1144 18.581,1145 12.452,1146 29.656,1147 13.999,1148 1.601,1149 4.342,1150 26.217,1151 2.507,1152 15.538,1153 19.996,1154 17.312,1155 31.928,1156 15.038,1157 1.387,1158 3.411,1159 28.045,1160 2.118,1161 16.584,1162 21.362,1163 14.386,1164 34.187,1165 16.048,1166 6275,1167 11584,1168 15.603,1169 27.37,1170 34.952,1171 38.663,1172 35.562,1173 34.518,1174 34.52,1175 44.963,1176 14.747,1177 91.238,1178 32.566,1179 5.304,1180 6.25,1181 6.174,1182 5.026,1183 4.958,1184 7.093,1185 6.545,1186 16.185,1187 4.761,1188 12.687,1189 1.456,1190 1.611,1191 1.482,1192 1.438,1193 1.438,1194 1.873,1195 0.614,1196 3.802,1197 1.357,1198 3.972,1199 4.01,1200 4,1201 3.816,1202 7.815,1203 3.823,1204 3.93,1205 3.95,1206 3.919,1207 3.723,1208 6.999,1209 3.76,1210 3.568,1211 3.645,1212 3.713,1213 3.452,1214 5.041,1215 3.386,1216 3.508,1217 3.578,1218 3.406,1219 3.282,1220 5.02,1221 3.282,1222 3.39,1223 3.436,1224 3.359,1225 2.956,1226 4.272,1227 3.012,1228 3.086,1229 3.157,1230 3.082,1231 2.884,1232 4.187,1233 2.913,1234 2.874,1235 3.009,1236 2.664,1237 2.638,1238 3.807,1239 2.627,1240 2.831,1241 2.923,1242 2.512,1243 2.618,1244 3.741,1245 2.57,1246 0.183,1247 0.177,1248 0.267,1249 0.163,1250 0.123,1251 4.384,1252 0.171,1253 4.25,1254 0.136,1255 6.403,1256 0.406,1257 3.914,1258 0.118,1259 2.958,1260 4.093,1261 3.272,1262 9.738,1263 2.825,1264 1.814,1265 1.772,1266 1.894,1267 2.077,1268 1.124,1269 2.012,1270 1.647,1271 1.592,1272 1.868,1273 1.882,1274 1.032,1275 1.881,1276 1.593,1277 1.565,1278 1.73,1279 1.746,1280 0.897,1281 1.77,1282 1.424,1283 1.361,1284 1.657,1285 1.648,1286 0.814,1287 1.634,1288 1.28,1289 1.219,1290 1.525,1291 1.565,1292 0.657,1293 1.533,1294 1.073,1295 1.034,1296 1.417,1297 1.529,1298 0.469,1299 1.47,1300 0.934,1301 0.804,1302 1.183,1303 1.239,1304 0.36,1305 1.308,1306 0.869,1307 0.802,1308 1.153,1309 1.108,1310 0.194,1311 1.154,1312 3.892,1314 5.153,1315 2.398,1316 6.581,1317 4.595,1318 8.092,1319 6.555,1320 9.653,1322 3.989,1328 2.882,1329 2.939,1331 1.684,1333 2.049,1340 26.126,1341 76.099,1342 152.419,1343 192.213,1344 196.968,1345 198.968,1346 198.968,1347 46.397,1348 6.431,1349 100.01,1350 125.31,1351 11,1352 11.874,1353 3.807,1354 3.087,1355 45.812,1356 100,1357 82,1358 0.223,1359 169.803,1360 288.28,1361 406.08,1362 5275,1364 16.656,1365 0.724,1366 0.603,1367 17.01,1368 13.876,1369 11.059,1370 0.461,1371 0.342,1372 7,1373 9.871,1374 6.67,1375 5.592,1376 11.559,1377 8.215,1378 9.765,1379 0.315,1380 0.2,1381 10.263,1382 6.213,1383 6.966,1384 0.194,1385 0.107,1386 7.522,1387 3.85,1388 5.81,1389 0.132,1390 0.06,1391 6.318,1392 2.656,1393 3.974,1394 0.09,1395 0.038,1396 4.489,1397 1.681,1398 0.367,1399 76.256,1400 0.253,1401 23.415,1402 0.565,1403 110,1404 412.98,1405 145.626,1406 408.63,1407 533.2,1408 378,1409 122,1410 371.218,1411 155.22,1412 375.485,1413 531.99,1414 346,1415 6.328}
{0 CHEMBL322628,1 1.437,2 8.067,3 1.587,4 2.518,5 64.719,6 6.011,8 3.673,9 3.82,10 3.092,11 3.104,12 4.564,13 2.989,14 4.283,15 4.533,16 3.419,17 3.454,18 5.12,19 3.31,20 4.492,21 4.738,22 3.202,23 3.655,24 5.24,25 3.412,26 4.732,27 5.079,28 3.196,29 3.559,30 5.407,31 3.259,32 4.271,33 4.541,34 2.967,35 3.182,36 5.125,37 2.975,38 3.793,39 3.952,40 3.165,41 3.065,42 5.037,43 2.946,44 4.084,45 4.279,46 2.594,47 3.054,48 5.214,49 2.852,50 3.714,51 3.97,52 2.278,53 2.925,54 4.3,55 2.705,56 0.039,57 0.501,58 10.984,59 3.965,60 5.921,61 5.414,62 0.361,63 0.736,64 21.923,65 5.891,66 23.123,67 8.278,68 0.196,69 0.881,70 23.19,71 8.329,72 15.688,73 11.197,74 0.293,75 0.825,76 29.186,77 8.559,78 34.246,79 11.307,80 0.412,81 0.551,82 23.241,83 5.423,84 30,85 6.818,86 0.089,87 0.461,88 13.161,89 4.264,90 23.778,91 5.346,92 0.399,93 0.477,94 20.632,95 4.688,96 47.215,97 5.612,98 0.047,99 0.424,100 8.999,101 3.56,102 4.323,103 5.27,104 53,105 18,106 0.272,107 0.433,108 0.715,109 0.715,110 0.715,111 0.715,112 2.788,113 1.413,114 0.32,115 0.15,116 -0.07,121 28.2,122 2,123 1,124 1,126 3,127 3,161 1,176 3,179 1,180 2,187 4,194 1,200 1,206 2,214 2,219 2,221 1,229 1,232 4,253 1,266 1,279 2,281 254,282 8.914,283 8.914,284 8.914,285 8.914,286 8.914,287 8.759,288 8.1,289 5.467,290 9.417,291 6.911,292 6.911,293 6.911,294 6.911,295 6.911,296 6.609,297 8.351,298 2.629,299 7.663,300 3.849,301 2.995,302 1.508,303 1.508,304 1.508,305 1.508,306 3.37,312 1,313 218,314 4.243,325 1.538,326 12.826,329 1,330 1,331 1,332 0.7,333 1,334 1,335 1,336 0.96,337 32.5,338 121,339 4.099,340 4.699,341 6.394,342 4.002,343 3.099,344 3.101,345 4.73,346 9.951,347 2.798,348 3.655,349 3.488,350 5.038,351 3.285,352 2.391,353 2.822,354 1.2,355 6.1,356 2.211,357 3.207,358 3.202,359 4.642,360 3.147,361 2.179,362 2.209,363 0.946,364 5.135,365 1.985,366 2.271,367 2.136,368 3.536,369 2.136,370 1.266,371 1.268,373 2.691,374 1.085,375 2.038,376 1.862,377 3.139,378 1.847,379 0.903,380 0.962,382 1.877,383 0.83,384 0.93,385 1.435,386 2.588,387 0.758,388 -0.117,389 -0.117,391 -0.277,392 -0.101,393 0.873,394 0.439,395 2,396 0.568,397 -0.402,398 -0.462,400 -0.874,401 -0.373,403 0.056,404 2,406 -1,407 -1,409 -2,410 -0.9,412 -0.481,413 2,414 -0.1,415 -1,416 -1,418 -2.982,419 -0.9,421 -0.6,422 1.482,423 -0.1,424 -1,425 -1,426 -0.4,427 -3,428 -1,430 -0.6,431 1.209,432 -0.267,433 -1.222,434 -1.357,435 -0.4,436 -3,437 -1.119,438 -0.358,439 -1,440 1,441 -0.466,442 -1.358,443 -1.522,444 -0.4,445 -3.803,446 -1.177,447 -0.77,448 -1.468,449 0.542,450 -0.888,451 -1.794,452 -1.943,453 -1.641,454 -4.584,455 -1.652,456 -0.945,457 -1.548,458 0.43,459 -1.122,460 -1.945,461 -1.96,462 -4.036,463 -5.236,464 -1.687,474 7.4,475 0.493,476 0.604,477 0.04,478 10.25,479 0.683,480 1.5,481 0.1,482 8.75,483 0.583,484 16.225,485 1.082,486 19.9,487 0.51,488 5.65,489 0.377,490 1.61,491 0.107,492 5.201,493 0.347,494 0.383,495 0.054,496 0.135,501 0.806,502 1.871,503 0.973,504 1.418,505 0.658,506 1.447,507 0.991,508 0.899,509 1.032,510 0.981,511 0.444,512 0.898,513 0.638,514 1.413,515 1.115,516 1.369,517 0.625,518 1.483,519 0.869,520 0.741,521 0.752,522 0.761,523 0.951,524 0.693,525 2.269,526 0.753,527 1.712,528 1.121,529 1.903,530 0.76,531 1.649,532 1.564,533 1.063,534 1.374,535 1.963,536 1.314,537 3.765,538 0.993,539 2.648,540 1.519,541 4.965,542 1.224,543 0.304,544 1.456,545 0.87,546 1.227,547 0.174,548 1.519,549 5,551 1.333,552 0.75,553 0.32,554 0.5,555 0.163,556 0.125,557 0.074,558 0.12,559 1482,560 2861,561 1.676,562 61.5,563 7,564 15,569 2,572 1.521,573 1.513,574 2.982,575 -0.716,582 56.038,583 1.437,584 2.291,585 3.778,586 3.778,587 3.778,588 3.778,589 2.416,590 3.457,591 3.878,592 3.21,593 337.069,594 6.453,595 3045.94,600 206.131,601 1.706,602 3.753,603 0.357,605 0.074,606 0.058,607 0.027,608 0.045,609 0.013,610 0.018,611 0.012,612 0.024,613 0.628,614 0.83,615 1,616 2.34,617 61.833,618 0.036,619 -0.417,620 0.076,621 -0.145,622 -0.052,623 -0.133,624 0.153,625 0.286,626 0.119,627 0.11,628 0.223,629 0.15,630 0.028,631 -0.274,632 -0.198,633 -0.29,634 -0.074,635 -0.365,636 0.052,637 0.043,638 0.186,639 0.117,640 0.023,641 0.168,642 -0.212,643 0.177,644 -0.155,645 0.092,646 -0.215,647 0.154,648 0.002,649 -0.31,650 0.153,651 -0.128,652 0.305,653 -0.123,654 -0.811,655 0.088,656 -0.763,657 -0.118,658 -0.754,659 -0.248,660 -0.048,661 -0.301,662 -0.26,663 -0.31,664 -0.03,665 -0.396,666 1.802,667 4.244,669 11.12,670 0.987,671 1.144,672 -1.548,673 2.395,674 0.598,675 2.708,676 2.944,677 2.639,678 2.565,679 2.485,680 2.639,681 2.079,682 1.946,683 1.792,684 1.946,685 5.228,686 0.531,687 234.43,688 2.708,689 4.174,690 4.844,691 5.652,692 6.34,693 7.151,694 7.844,695 8.656,696 9.352,697 10.165,698 2.6,712 1,741 39,743 1,745 14,747 38,748 11,762 1,763 2,770 1,772 1,773 10,774 1,777 1,782 1,786 1,793 24,794 2,796 4,797 1,802 1,803 1,807 1,809 2,862 1,864 5,868 15,876 4,878 1,879 1,880 1,883 1,893 5.1,896 1,898 1,901 9.917,902 8.333,903 3.375,904 2.5,907 0.109,908 1.023,909 0.819,910 7.234,911 4.905,912 2.773,913 3.045,914 2.773,915 2.708,916 2.639,917 2.944,918 2.079,919 1.946,920 1.792,921 1.946,922 1,923 13,924 5.571,925 -0.001,926 2.038,927 0.026,929 7.689,931 10.91,933 7.982,934 0.001,936 2.189,937 32.833,938 0.006,941 282.506,942 90.748,945 36.145,947 32.22,948 58.528,949 318.651,951 42.84,952 10.132,954 25.145,955 11,956 5.556,957 314.726,959 282.506,960 58.528,961 36.145,962 32.22,964 258.964,965 59.687,968 27.783,969 30.746,971 32.22,972 282.506,973 36.145,974 90.748,977 282.506,978 47.908,979 42.84,981 36.145,982 282.506,983 36.145,984 90.748,986 0.571,987 0.222,988 0.085,989 0.042,990 5,991 4,992 0.211,993 8,996 2.659,997 74.282,1000 51.848,1001 1,1005 14.948,1006 7.259,1007 11.877,1009 36.145,1018 409.399,1019 15,1024 11.244,1028 -0.135,1031 38.494,1032 44.612,1034 0.272,1035 0.433,1036 0.715,1037 0.715,1038 0.715,1039 0.715,1040 3.989,1041 -1,1042 4.905,1043 -0.874,1044 3.611,1045 3.714,1046 3.81,1047 5.595,1048 3.418,1049 5.147,1050 -1,1051 6.418,1052 -2,1053 3.611,1054 3.761,1055 3.665,1056 6.899,1057 3.351,1058 6.42,1059 -1,1060 8.05,1061 -2.982,1062 5.22,1063 5.416,1064 6.655,1065 9.519,1066 4.828,1067 7.717,1068 -1.222,1069 9.751,1070 -3,1071 5.889,1072 6.111,1073 7.162,1074 11.535,1075 5.42,1076 9.04,1077 -1.358,1078 11.494,1079 -3,1080 7.159,1081 7.408,1082 9.651,1083 13.889,1084 6.566,1085 10.377,1086 -1.794,1087 13.265,1088 -3.803,1089 8.086,1090 8.343,1091 10.478,1092 16.109,1093 7.406,1094 11.726,1095 -1.945,1096 15.057,1097 -4.584,1098 9.251,1099 9.519,1100 12.679,1101 18.415,1102 8.456,1103 3.099,1105 16.863,1106 -5.236,1107 10.289,1108 10.552,1109 13.711,1110 20.69,1111 9.397,1112 2.391,1113 9.951,1114 18.681,1116 11.422,1117 11.685,1118 15.725,1119 22.988,1120 10.42,1121 2.179,1122 6.1,1123 20.508,1124 3.101,1125 12.508,1126 12.761,1127 16.902,1128 25.279,1129 11.405,1130 1.266,1131 5.135,1132 22.341,1133 2.822,1134 13.634,1135 13.88,1136 18.786,1137 27.576,1138 12.424,1139 0.903,1140 2.691,1141 24.179,1142 2.209,1143 14.743,1144 14.976,1145 20.065,1146 29.872,1147 13.431,1148 -0.117,1149 1.877,1150 26.021,1151 1.268,1152 15.869,1153 16.091,1154 21.858,1155 32.169,1156 14.451,1157 -0.402,1158 -0.277,1159 27.866,1160 0.962,1161 16.989,1162 17.198,1163 23.212,1164 34.466,1165 15.468,1166 1741,1167 2539,1168 7.742,1169 23.319,1170 19.826,1171 23.684,1172 19.816,1173 19.692,1174 19.675,1175 20.724,1176 13.753,1177 51.51,1178 17.816,1179 5.045,1180 6.247,1181 5.964,1182 5.124,1183 5.044,1184 5.061,1185 8.766,1186 15.187,1187 4.485,1188 11.166,1189 1.416,1190 1.692,1191 1.415,1192 1.407,1193 1.405,1194 1.48,1195 0.982,1196 3.679,1197 1.273,1198 3.85,1199 3.933,1200 3.93,1201 3.666,1202 7.432,1203 3.639,1204 3.736,1205 3.799,1206 3.685,1207 3.583,1208 4.501,1209 3.582,1210 3.452,1211 3.463,1212 3.469,1213 3.3,1214 4.276,1215 3.247,1216 3.197,1217 3.278,1218 3.081,1219 3.014,1220 4.239,1221 2.987,1222 2.946,1223 3.009,1224 2.755,1225 2.7,1226 3.687,1227 2.699,1228 2.874,1229 3.009,1230 2.499,1231 2.618,1232 3.467,1233 2.57,1234 2.874,1235 3.009,1236 2.499,1237 2.618,1238 3.467,1239 2.57,1240 2.874,1241 2.984,1242 2.499,1243 2.618,1244 3.467,1245 2.57,1246 0.293,1247 0.336,1248 0.457,1249 0.286,1250 0.221,1251 4.099,1252 0.222,1253 4.699,1254 0.338,1255 6.394,1256 0.711,1257 4.002,1258 0.2,1259 3.099,1260 3.101,1261 4.73,1262 9.951,1263 2.798,1264 1.77,1265 1.7,1266 2.01,1267 2.039,1268 1.305,1269 2.038,1270 1.748,1271 1.678,1272 1.997,1273 1.902,1274 1.268,1275 1.943,1276 1.344,1277 1.318,1278 1.597,1279 1.604,1280 0.814,1281 1.604,1282 1.214,1283 1.133,1284 1.541,1285 1.427,1286 0.778,1287 1.49,1288 0.934,1289 0.816,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.934,1295 0.804,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.934,1301 0.804,1302 1.417,1303 1.239,1304 0.469,1305 1.308,1306 0.841,1307 0.804,1308 0.975,1309 1.15,1310 0.169,1311 1.121,1312 3.367,1314 4.615,1316 5.979,1318 7.391,1320 8.827,1322 10.561,1328 3.295,1330 5.108,1331 1.287,1332 0.65,1335 0.823,1340 20.696,1341 56.038,1342 89.337,1343 147.337,1344 147.337,1345 147.337,1346 147.337,1347 52,1348 4.796,1349 26.3,1350 51.6,1352 10.782,1353 1,1354 1,1355 54.96,1356 46,1357 37,1358 0.585,1359 140.74,1360 244.63,1361 335.166,1362 472,1364 11.897,1365 0.793,1366 0.763,1367 12.251,1368 11.447,1369 6.81,1370 0.486,1371 0.471,1372 5.583,1373 5.983,1374 5.128,1375 4.483,1376 7.264,1377 6.592,1378 6.883,1379 0.382,1380 0.359,1381 7.552,1382 6.47,1383 3.102,1384 0.239,1385 0.214,1386 3.655,1387 2.78,1388 2,1389 0.167,1390 0.149,1391 2.581,1392 1.783,1393 1.121,1394 0.102,1395 0.083,1396 1.478,1397 0.911,1398 0.944,1399 47.816,1400 0.359,1401 15.987,1402 1.511,1403 64,1404 178.664,1405 96.146,1406 184.5,1407 231.48,1408 170,1409 63,1410 136.557,1411 85.736,1412 151.916,1413 212.86,1414 136,1415 4.301}
{0 CHEMBL32329,1 1.536,2 14.074,3 6.107,4 37.298,5 112.683,6 8.341,7 0.621,8 3.948,9 4.053,10 3.617,11 3.575,12 5.049,13 3.526,14 4.443,15 4.598,16 3.932,17 3.94,18 5.464,19 3.86,20 4.7,21 4.904,22 4.023,23 4.061,24 5.657,25 3.936,26 4.718,27 4.94,28 4.01,29 3.931,30 5.733,31 3.779,32 4.568,33 4.827,34 3.592,35 3.702,36 5.467,37 3.569,38 4.392,39 4.635,40 3.512,41 3.665,42 5.272,43 3.538,44 4.352,45 4.58,46 3.537,47 3.706,48 5.263,49 3.577,50 4.336,51 4.549,52 3.656,53 3.72,54 5.317,55 3.599,56 0.055,57 0.612,58 8.329,59 4.246,60 8.797,61 5.604,62 0.101,63 0.986,64 16.533,65 7.13,66 15.36,67 9.246,68 0.163,69 1.213,70 27.283,71 10.026,72 25.771,73 13.148,74 0.448,75 1.167,76 38.965,77 10.71,78 50.676,79 13.644,80 0.34,81 1.053,82 26.957,83 8.773,84 37.531,85 11.595,86 0.214,87 0.916,88 19.21,89 7.265,90 22.701,91 9.792,92 0.132,93 0.877,94 19.532,95 7.14,96 19.81,97 9.67,98 0.133,99 0.848,100 17.858,101 6.925,102 20.898,103 9.163,104 5,105 37,106 0.26,107 0.546,108 0.723,109 0.811,110 0.833,111 0.833,112 3.338,113 1.002,114 -6.14,115 -5.98,116 -5.56,121 45.8,123 2,127 2,144 10,145 3,146 2,147 2,157 1,168 1,176 12,180 2,187 17,189 3,192 4,200 10,203 2,206 6,214 8,216 1,219 5,221 1,227 5,229 2,232 1,234 1,239 5,241 2,244 1,251 9,253 1,256 2,264 15,266 1,269 2,277 6,281 1242,282 18.535,283 18.535,284 18.535,285 18.535,286 18.535,287 16.021,288 15.272,289 11.433,290 18.962,291 14.327,292 14.327,293 14.327,294 14.327,295 14.327,296 10.722,297 10.786,298 5.451,299 15.117,300 4.049,301 2.361,302 1.317,303 0.792,304 0.667,305 0.667,306 4.027,308 2,312 1,313 809,314 3.162,318 316.951,325 2.59,326 15.307,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 56.667,338 380,339 4.326,340 3.946,341 6.389,342 3.885,343 2.962,344 3.986,345 2.436,346 9.632,347 2.684,348 4.061,349 3.364,350 5.493,351 3.625,352 2.663,353 3.67,354 0.533,355 7.394,356 2.572,357 3.896,358 2.754,359 5.339,360 3.516,361 2.517,362 3.444,364 6.965,365 2.514,366 3.564,367 2.674,368 5.127,369 3.165,370 2.218,371 2.873,373 6.371,374 2.09,375 3.232,376 2.623,377 4.841,378 2.707,379 1.879,380 2.481,382 5.104,383 1.575,384 2.986,385 2.281,386 4.078,387 2.614,388 1.666,389 2.133,391 3.775,392 1.538,393 2.937,394 1.835,395 3.684,396 2.544,397 1.549,398 2.106,400 3.241,401 1.441,402 2.797,403 1.621,404 3.583,405 2.296,406 1.322,407 1.808,409 2.876,410 1.279,411 2.5,412 1.277,413 3.414,414 2.06,415 1.075,416 1.5,418 2.347,419 1.055,420 2.5,421 1.129,422 3.33,423 2,424 1,425 1.5,427 2.275,428 1,429 2.248,430 1,431 3.247,432 1.984,433 1,434 1.222,436 2.136,437 0.983,438 1.985,439 1,440 3.034,441 1.545,442 0.661,443 0.823,445 1.469,446 0.551,447 1.359,448 0.872,449 2.641,450 1.113,451 0.17,452 0.193,454 0.395,455 0.148,456 1.163,457 0.355,458 2.394,459 0.822,460 -0.086,461 -0.103,463 -0.201,464 -0.071,465 1,466 0.175,467 2.352,468 0.473,469 -0.347,470 -0.445,472 -0.757,473 -0.229,474 13.562,475 0.502,476 0.452,477 0.017,478 35,479 1.296,480 18.5,481 0.685,482 16.5,483 0.611,484 20.809,485 0.771,486 28.138,487 0.586,488 23.347,489 0.865,490 7.158,491 0.265,492 6.062,493 0.225,494 0.105,496 0.214,501 0.571,502 1.157,503 0.573,504 0.893,505 0.558,506 0.884,507 0.977,508 1.116,509 0.73,510 0.907,511 0.769,512 0.958,513 0.977,514 1.112,515 0.913,516 1.004,517 0.953,518 1.025,519 0.994,520 1.17,521 1.126,522 1.237,523 1.026,524 1.155,525 0.999,526 0.919,527 0.73,528 0.889,529 0.811,530 0.887,531 0.791,532 0.912,533 0.586,534 0.759,535 0.676,536 0.843,537 0.711,538 0.928,539 0.796,540 0.892,541 0.824,542 0.925,543 0.896,544 0.903,545 0.72,546 0.794,547 0.799,548 0.872,549 4,550 0.115,551 2.444,552 1.125,553 0.827,554 0.417,555 0.282,556 0.243,557 0.18,558 0.125,559 11171,560 31157,561 2.079,562 43.8,563 2,564 14,566 3,569 2,572 1.69,573 2,574 3.721,575 -0.806,582 73.732,583 1.536,584 3.224,585 4.268,586 4.793,587 4.918,588 4.918,589 3.19,590 4.134,591 4.727,592 3.971,593 1393.69,594 8.145,595 20231.8,600 268.078,601 1.117,602 4.711,603 0.138,604 0.007,605 0.066,606 0.031,607 0.03,608 0.017,609 0.012,610 0.01,611 0.007,612 0.006,613 0.323,614 0.5,615 0.88,616 0.454,617 140.276,618 0.138,619 -0.064,620 0.023,621 -0.022,622 0.073,623 -0.007,624 -0.109,625 -0.044,626 -0.027,627 -0.012,628 -0.038,629 -0.058,630 -0.061,631 -0.105,632 -0.008,633 -0.049,634 -0.053,635 -0.066,636 0.219,637 -0.214,638 0.023,639 -0.234,640 0.163,641 -0.17,642 0.094,643 0.073,644 0.085,645 0.059,646 0.136,647 0.089,648 0.039,649 0.106,650 0.096,651 0.167,652 0.058,653 0.124,654 -0.041,655 0.087,656 -0.001,657 0.054,658 -0.07,659 0.054,660 -0.064,661 0.107,662 0.079,663 0.151,664 0.017,665 0.092,666 1.263,667 1.993,668 0.667,669 32.815,670 0.999,671 1.114,672 4.909,673 24.096,674 0.712,675 3.401,676 3.638,677 3.829,678 3.97,679 4.094,680 3.951,681 3.932,682 4.007,683 4.078,684 4.174,685 8.424,686 0.666,687 400.35,688 3.401,689 4.89,690 5.694,691 6.515,692 7.327,693 8.15,694 8.966,695 9.79,696 10.607,697 11.432,698 4.2,707 1,708 1,715 12,720 5,721 1,722 18,726 1,740 2,741 48,743 19,744 2,745 29,747 50,748 22,749 17,750 4,751 8,752 1,756 3,757 3,758 2,770 2,772 18,773 4,777 1,784 1,785 1,793 21,794 2,796 5,797 2,802 2,803 1,808 1,809 1,822 1,829 3,859 3,865 2,868 27,876 4,878 1,892 2,893 2.1,898 1,901 13.5,902 8.486,903 6.139,904 2.894,907 3.661,908 1.52,909 0.973,910 7.547,911 10.699,912 3.689,913 4.227,914 4.734,915 5.195,916 5.651,917 5.544,918 5.656,919 5.886,920 6.199,921 6.627,922 1,923 36,924 9.907,926 4.011,927 0.026,929 7.613,931 19.137,933 15.127,936 2.113,937 57.056,941 247.193,942 150.23,943 21.299,944 78.297,945 11.219,948 150.23,949 336.709,950 21.299,952 11.767,953 94.762,954 46.26,955 65.271,957 211.88,958 78.297,959 247.193,960 171.529,961 11.219,962 78.297,964 223.651,965 34.761,968 49.262,969 111.32,970 89.244,972 247.193,973 32.518,974 228.527,977 247.193,978 28.325,979 123.804,981 108.916,982 247.193,983 32.518,984 228.527,986 0.561,987 0.32,988 0.164,989 0.082,990 15,991 6,992 0.16,993 8,995 1,996 4.2,997 202.089,999 18,1000 114.382,1005 19.715,1006 10.335,1007 6.261,1009 30.619,1010 24.038,1015 4.238,1016 2.171,1018 508.238,1019 39,1026 1.68,1027 3.999,1031 47.956,1032 53.454,1034 0.275,1035 0.577,1036 0.764,1037 0.858,1038 0.881,1039 0.881,1040 4.864,1041 1.322,1042 5.617,1043 3.241,1044 4.317,1045 4.913,1046 2.598,1047 6.304,1048 4.209,1049 6.03,1050 1.075,1051 7.098,1052 2.876,1053 3.611,1054 4.407,1056 6.969,1057 3.338,1058 7.29,1059 1,1060 8.679,1061 2.347,1062 5.79,1063 7.021,1064 4.271,1065 10.018,1066 5.586,1067 8.587,1068 1,1069 10.324,1070 2.275,1071 5.943,1072 7.355,1074 11.576,1075 5.568,1076 9.915,1077 0.661,1078 12.012,1079 2.136,1080 7.523,1081 9.388,1082 6.037,1083 14.103,1084 7.207,1085 11.266,1086 0.17,1087 13.73,1088 1.469,1089 8.107,1090 10.146,1092 16.043,1093 7.626,1094 12.635,1095 -0.086,1096 15.472,1097 0.395,1098 9.411,1099 11.892,1100 7.816,1101 18.394,1102 8.958,1103 2.962,1104 -0.347,1105 17.232,1106 -0.201,1107 10.222,1108 12.889,1110 20.506,1111 9.614,1112 2.663,1113 9.632,1114 19.006,1115 -0.757,1116 11.393,1117 14.475,1118 9.596,1119 22.797,1120 10.78,1121 2.517,1122 7.394,1123 20.792,1124 3.986,1125 12.325,1126 15.614,1128 24.989,1129 11.57,1130 2.218,1131 6.965,1132 22.588,1133 3.67,1134 13.434,1135 17.108,1136 11.376,1137 27.26,1138 12.645,1139 1.879,1140 6.371,1141 24.392,1142 3.444,1143 14.429,1144 18.334,1146 29.489,1147 13.511,1148 1.666,1149 5.104,1150 26.204,1151 2.873,1152 15.512,1153 19.773,1154 13.157,1155 31.754,1156 14.536,1157 1.549,1158 3.775,1159 28.022,1160 2.481,1161 16.542,1162 21.053,1164 34.001,1165 15.444,1166 10687,1167 18120,1168 19.761,1169 34.176,1170 41.813,1171 43.96,1172 42.056,1173 41.721,1174 41.363,1175 55.476,1176 5.937,1177 107.957,1178 38.861,1179 5.188,1180 5.946,1181 6.191,1182 4.92,1183 4.962,1184 6.986,1185 4.872,1186 16.191,1187 4.684,1188 9.892,1189 1.442,1190 1.516,1191 1.45,1192 1.439,1193 1.426,1194 1.913,1195 0.205,1196 3.723,1197 1.34,1198 4.001,1199 4.046,1200 4.101,1201 3.905,1202 5.051,1203 3.902,1204 3.913,1205 3.929,1206 3.919,1207 3.864,1208 4.922,1209 3.854,1210 3.891,1211 3.926,1212 3.82,1213 3.809,1214 4.755,1215 3.811,1216 3.517,1217 3.578,1218 3.582,1219 3.376,1220 4.688,1221 3.365,1222 3.332,1223 3.386,1224 3.404,1225 3.089,1226 4.632,1227 3.112,1228 3.102,1229 3.169,1230 3.214,1231 2.952,1232 4.115,1233 2.948,1234 2.901,1235 2.959,1236 3.066,1237 2.849,1238 4.026,1239 2.815,1240 2.883,1241 2.925,1242 2.928,1243 2.735,1244 3.836,1245 2.715,1246 0.149,1247 0.136,1248 0.22,1249 0.134,1250 0.102,1251 4.326,1252 0.137,1253 3.946,1254 0.084,1255 6.389,1256 0.332,1257 3.885,1258 0.093,1259 2.962,1260 3.986,1261 2.436,1262 9.632,1263 2.684,1264 1.948,1265 1.91,1266 2.086,1267 2.087,1268 1.316,1269 2.086,1270 1.895,1271 1.878,1272 2.007,1273 1.988,1274 1.131,1275 2.002,1276 1.882,1277 1.85,1278 1.953,1279 1.955,1280 1.099,1281 1.968,1282 1.519,1283 1.458,1284 1.758,1285 1.689,1286 0.927,1287 1.711,1288 1.244,1289 1.19,1290 1.476,1291 1.525,1292 0.609,1293 1.507,1294 1.094,1295 1.029,1296 1.35,1297 1.294,1298 0.54,1299 1.318,1300 0.886,1301 0.827,1302 1.181,1303 1.1,1304 0.218,1305 1.133,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 4.078,1314 5.333,1316 6.781,1318 8.316,1320 9.891,1323 12.209,1328 3.397,1330 5.323,1340 31.944,1341 73.732,1342 154.753,1343 204.859,1344 230.078,1345 236.078,1346 236.078,1347 41.445,1348 7.038,1349 25.47,1350 25.47,1351 18,1352 12.011,1353 4.322,1354 3.459,1355 47.573,1356 138,1357 120,1358 0.162,1359 206.062,1360 355.51,1361 494.551,1362 12481,1363 4.2,1364 18.899,1365 0.7,1366 0.61,1367 19.899,1368 16.457,1369 13.22,1370 0.456,1371 0.334,1372 8.915,1373 12.317,1374 8.656,1375 7.204,1376 13.798,1377 9.689,1378 11.155,1379 0.301,1380 0.192,1381 11.897,1382 7.103,1383 9.096,1384 0.202,1385 0.111,1386 9.813,1387 5.009,1388 7.113,1389 0.137,1390 0.063,1391 7.86,1392 3.288,1393 5.326,1394 0.09,1395 0.034,1396 5.658,1397 2,1398 0.271,1399 87.785,1400 0.225,1401 27.227,1402 0.404,1403 132,1404 362.12,1405 169.387,1406 415.823,1407 547.48,1408 388,1409 148,1410 354.832,1411 178.573,1412 380.219,1413 541.95,1414 357,1415 6.745}
{0 CHEMBL32452,1 1.372,2 10.565,3 3.951,4 15.609,5 92.8,6 6.206,7 0.24,8 3.995,9 4.131,10 3.408,11 3.497,12 4.907,13 3.442,14 4.613,15 4.822,16 3.798,17 3.94,18 5.503,19 3.853,20 4.903,21 5.145,22 3.846,23 4.129,24 5.674,25 4.006,26 4.999,27 5.253,28 3.75,29 4.139,30 5.797,31 3.978,32 4.99,33 5.286,34 3.625,35 3.976,36 5.787,37 3.811,38 4.718,39 4.973,40 3.435,41 3.747,42 5.609,43 3.61,44 4.525,45 4.777,46 3.327,47 3.591,48 5.447,49 3.462,50 4.423,51 4.671,52 3.152,53 3.465,54 5.409,55 3.334,56 0.051,57 0.717,58 12.649,59 5.068,60 7.036,61 7.272,62 0.369,63 1.193,64 23.69,65 8.535,66 31.897,67 12.658,68 0.263,69 1.487,70 31.133,71 11.236,72 24.602,73 16.615,74 0.271,75 1.546,76 34.029,77 12.383,78 35.399,79 18.226,80 0.342,81 1.384,82 33.746,83 11.101,84 42.447,85 16.708,86 0.392,87 1.046,88 26.339,89 8.603,90 40.557,91 12.391,92 0.232,93 0.901,94 21.532,95 7.111,96 29.544,97 10.432,98 0.369,99 0.817,100 19.876,101 5.88,102 39.503,103 8.793,104 26,105 36,106 0.235,107 0.516,108 0.75,109 0.877,110 0.877,111 0.877,112 3.188,113 1.07,114 -4.18,115 -4.12,116 -3.89,121 37.3,122 3,123 4,125 1,127 3,129 1,144 3,145 2,146 1,161 1,176 10,179 1,180 6,183 2,185 1,187 13,192 5,197 1,200 11,206 8,211 3,214 6,219 8,224 2,227 5,231 1,232 4,237 2,239 4,244 3,249 3,251 5,255 1,256 1,259 1,264 6,277 7,281 700,282 15.565,283 15.565,284 15.565,285 15.565,286 15.565,287 14.725,288 22.483,289 9.188,290 15.883,291 12.235,292 12.235,293 12.235,294 12.235,295 12.235,296 10.855,297 28.055,298 4.235,299 12.69,300 4.3,301 2.663,302 1.3,303 0.554,304 0.554,305 0.554,306 3.866,310 1,311 1,312 1,313 515,314 3.808,317 86.521,318 50.407,320 69.877,321 75.287,324 105.408,325 1.584,326 17.289,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 49,338 243,339 4.78,340 3.899,341 7.933,342 4.675,343 3.685,344 4.16,345 2.186,346 14.943,347 3.652,348 3.988,349 3.662,350 6.169,351 3.648,352 2.696,353 3.314,354 0.8,355 8.716,356 2.571,357 3.669,358 2.858,359 5.67,360 3.363,361 2.426,362 2.875,363 0.366,364 7.464,365 2.254,366 3.35,367 2.593,368 5.407,369 3.209,370 2.241,371 2.52,373 7.008,374 2.156,375 3.298,376 2.394,377 4.801,378 2.957,379 1.986,380 2.388,382 5.417,383 1.917,384 2.624,385 1.784,386 4.66,387 2.557,388 1.564,389 1.647,391 4.058,392 1.547,393 2.61,394 1.52,395 4.149,396 2.327,397 1.349,398 1.612,400 2.999,401 1.316,402 2.29,403 1.167,404 3.57,405 2.113,406 1.121,407 1.275,409 2.988,410 1.111,411 1.773,412 1.054,413 3.327,414 1.679,415 0.716,416 0.741,418 1.41,419 0.685,420 1.724,421 0.869,422 2.97,423 1.635,424 0.657,425 0.684,427 1.159,428 0.64,429 1.388,430 0.709,431 2.813,432 1.184,433 0.214,434 0.235,436 0.408,437 0.206,438 0.961,439 0.304,440 2.702,441 0.763,442 -0.184,443 -0.195,445 -0.372,446 -0.173,447 0.761,448 -0.04,449 2.436,450 0.588,451 -0.418,452 -0.461,454 -0.75,455 -0.414,456 0.613,457 -0.37,458 2.371,459 0.318,460 -0.677,461 -0.777,463 -1.775,464 -0.67,465 0.544,466 -0.666,467 2.298,468 0.17,469 -0.826,470 -1.075,472 -2.452,473 -0.822,474 10.967,475 0.477,476 0.592,477 0.026,478 22.5,479 0.978,480 8,481 0.348,482 14.5,483 0.63,484 24.525,485 1.066,486 26.833,487 0.526,488 14.267,489 0.62,490 3.762,491 0.164,492 7.318,493 0.318,494 0.167,495 0.046,496 0.264,501 0.789,502 1.47,503 0.967,504 1.287,505 0.614,506 1.163,507 0.618,508 1.057,509 0.907,510 0.994,511 0.381,512 0.976,513 0.982,514 1.05,515 1.012,516 1.028,517 0.677,518 1.018,519 0.945,520 1.196,521 1.092,522 1.202,523 0.872,524 1.171,525 1.12,526 0.91,527 0.886,528 0.898,529 1.152,530 0.868,531 1.784,532 0.921,533 1.127,534 0.946,535 1.548,536 0.972,537 1.533,538 1.141,539 1.052,540 1.062,541 1.796,542 1.02,543 1.965,544 0.876,545 1.334,546 0.925,547 2.767,548 1.038,549 5.5,550 0.085,551 3.333,552 2.396,553 1.366,554 0.663,555 0.456,556 0.291,557 0.201,558 0.135,559 5372,560 10149,561 2.031,562 54.9,563 8,564 10,567 1,569 9,572 1.656,573 1.878,574 3.31,575 -0.369,577 1,582 69.977,583 1.372,584 3.009,585 4.372,586 5.118,587 5.118,588 5.118,589 2.877,590 4.524,591 4.484,592 3.455,593 874.066,594 7.72,595 9804.53,597 1,599 1,600 289.294,601 1.631,602 4.433,603 0.22,604 0.008,605 0.093,606 0.065,607 0.044,608 0.025,609 0.021,610 0.015,611 0.013,612 0.01,613 0.512,614 0.5,615 1,616 1.925,617 107.6,618 0.009,619 -0.152,620 0.065,621 -0.056,622 -0.018,623 0.001,624 0.307,625 0.122,626 0.112,627 0.09,628 0.251,629 0.082,630 -0.073,631 0.033,632 -0.018,633 0.014,634 -0.003,635 0.009,636 -0.048,637 -0.176,638 -0.117,639 -0.176,640 -0.003,641 -0.157,642 -0.014,643 0.004,644 0.098,645 0.03,646 -0.01,647 0.073,648 -0.118,649 0.008,650 -0.075,651 0.01,652 -0.13,653 -0.026,654 -0.095,655 -0.181,656 -0.02,657 -0.083,658 -0.114,659 -0.053,660 -0.18,661 0.139,662 -0.246,663 -0.007,664 -0.301,665 -0.121,666 2.014,667 4.852,668 0.522,669 21.051,670 0.987,671 1.134,672 2.945,673 8.673,674 0.624,675 3.258,676 3.611,677 3.932,678 4.248,679 4.466,680 4.595,681 4.762,682 4.844,683 4.828,684 4.836,685 5.864,686 0.575,687 316.49,688 3.258,689 4.812,690 5.687,691 6.603,692 7.513,693 8.445,694 9.373,695 10.315,696 11.253,697 12.2,698 3.9,701 1,705 1,715 3,720 3,722 6,737 1,741 51,743 7,744 1,745 25,747 53,748 19,749 6,750 3,751 3,756 3,757 6,763 3,764 1,766 1,767 3,770 5,772 7,773 12,777 1,782 1,786 1,790 1,793 28,794 4,795 1,796 4,802 2,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 3,868 23,876 7,877 1,878 1,880 1,881 1,882 1,893 3.9,896 1,898 1,901 12.25,902 9.867,903 5.181,904 3.649,907 1.3,908 1.182,909 0.931,910 4.859,911 8.46,912 3.401,913 3.902,914 4.385,915 4.908,916 5.389,917 5.641,918 6.006,919 6.263,920 6.322,921 6.404,922 1,923 37,924 8.578,926 3.606,927 0.026,929 7.533,931 17.069,933 14.51,936 2.033,937 46.75,938 0.001,940 1,941 317.82,942 89.737,943 21.135,945 36.145,948 89.737,949 353.965,950 21.135,951 26.476,952 34.466,953 28.429,954 25.145,955 25.739,956 6.763,957 317.82,959 317.82,960 110.872,961 36.145,964 211.88,965 142.085,968 64.066,969 46.806,972 317.82,973 57.28,974 89.737,977 317.82,978 34.832,979 58.029,980 18.011,981 36.145,982 317.82,983 57.28,984 89.737,986 0.576,987 0.344,988 0.189,989 0.103,990 18,991 8,992 0.113,993 6,994 2,995 1.333,996 3.475,997 184.697,998 0.333,999 12,1000 104.042,1005 16.631,1006 6.721,1007 3.08,1009 57.28,1010 6.161,1015 3.446,1017 18.011,1018 464.836,1019 29,1024 11.852,1028 -0.347,1031 50.345,1032 57.813,1034 0.242,1035 0.531,1036 0.771,1037 0.902,1038 0.902,1039 0.902,1040 4.687,1041 1.121,1042 5.72,1043 2.999,1044 4.29,1045 4.585,1046 2.351,1047 6.653,1048 4.227,1049 5.876,1050 0.716,1051 7.361,1052 2.988,1053 4.111,1054 4.494,1055 1.847,1056 8.069,1057 4.039,1058 7.207,1059 0.657,1060 9.128,1061 1.41,1062 6.033,1063 6.649,1064 3.504,1065 11.222,1066 5.926,1067 8.581,1068 0.214,1069 10.98,1070 1.159,1071 6.735,1072 7.368,1073 3.598,1074 13.535,1075 6.639,1076 9.996,1077 -0.184,1078 12.889,1079 0.408,1080 8.194,1081 9.076,1082 4.907,1083 16.344,1084 8.079,1085 11.442,1086 -0.418,1087 14.841,1088 -0.372,1089 9.269,1090 10.151,1091 5.29,1092 18.938,1093 9.165,1094 12.911,1095 -0.677,1096 16.823,1097 -0.75,1098 10.598,1099 11.698,1100 6.387,1101 21.668,1102 10.485,1103 3.685,1104 -0.826,1105 18.829,1106 -1.775,1107 11.817,1108 12.943,1109 6.93,1110 24.341,1111 11.709,1112 2.696,1113 14.943,1114 20.851,1115 -2.452,1116 13.117,1117 14.424,1118 7.902,1119 27.053,1120 13.003,1121 2.426,1122 8.716,1123 22.887,1124 4.16,1125 14.389,1126 15.754,1127 8.539,1128 29.748,1129 14.273,1130 2.241,1131 7.464,1132 24.931,1133 3.314,1134 15.686,1135 17.204,1136 9.436,1137 32.454,1138 15.564,1139 1.986,1140 7.008,1141 26.983,1142 2.875,1143 16.977,1144 18.579,1145 10.13,1146 35.156,1147 16.85,1148 1.564,1149 5.417,1150 29.039,1151 2.52,1152 18.277,1153 20.016,1154 10.981,1155 37.861,1156 18.143,1157 1.349,1158 4.058,1159 31.099,1160 2.388,1161 19.575,1162 21.413,1163 11.71,1164 40.564,1165 19.434,1166 5396,1167 7531,1168 16.296,1169 31.819,1170 37.467,1171 38.442,1172 39.713,1173 37.314,1174 37.307,1175 42.906,1176 6.705,1177 113.141,1178 36.11,1179 5.743,1180 5.899,1181 7.844,1182 5.749,1183 5.685,1184 7.16,1185 3.889,1186 23.402,1187 5.652,1188 12.131,1189 1.499,1190 1.538,1191 1.589,1192 1.493,1193 1.492,1194 1.716,1195 0.268,1196 4.526,1197 1.444,1198 4.099,1199 4.131,1200 4.037,1201 4.027,1202 7.435,1203 4.026,1204 3.743,1205 3.798,1206 3.651,1207 3.581,1208 4.819,1209 3.586,1210 3.685,1211 3.746,1212 3.543,1213 3.541,1214 4.418,1215 3.528,1216 3.438,1217 3.503,1218 3.306,1219 3.244,1220 4.245,1221 3.231,1222 3.373,1223 3.444,1224 3.185,1225 3.133,1226 4.102,1227 3.156,1228 3.171,1229 3.244,1230 2.993,1231 3.015,1232 3.961,1233 3,1234 3.076,1235 3.184,1236 2.819,1237 2.881,1238 3.842,1239 2.852,1240 2.993,1241 3.054,1242 2.783,1243 2.73,1244 3.638,1245 2.743,1246 0.191,1247 0.156,1248 0.317,1249 0.187,1250 0.147,1251 4.78,1252 0.166,1253 3.899,1254 0.087,1255 7.933,1256 0.598,1257 4.675,1258 0.146,1259 3.685,1260 4.16,1261 2.186,1262 14.943,1263 3.652,1264 1.911,1265 1.893,1266 2.014,1267 1.996,1268 1.312,1269 2,1270 1.7,1271 1.631,1272 1.971,1273 1.898,1274 1.254,1275 1.923,1276 1.676,1277 1.622,1278 1.892,1279 1.862,1280 1.218,1281 1.875,1282 1.59,1283 1.519,1284 1.842,1285 1.765,1286 1.072,1287 1.795,1288 1.324,1289 1.265,1290 1.616,1291 1.62,1292 0.828,1293 1.613,1294 1.263,1295 1.176,1296 1.598,1297 1.491,1298 0.754,1299 1.536,1300 1.099,1301 1.021,1302 1.452,1303 1.342,1304 0.596,1305 1.378,1306 0.924,1307 0.864,1308 1.202,1309 1.237,1310 0.302,1311 1.244,1312 3.932,1314 5.273,1315 3.045,1316 6.819,1317 5.587,1318 8.472,1319 7.832,1320 10.193,1322 6.708,1328 7.286,1329 2.802,1330 5.469,1332 0.594,1333 2.581,1334 0.198,1340 29.321,1341 69.977,1342 153.48,1343 222.99,1344 261.029,1345 261.029,1346 261.029,1347 38.024,1348 7.16,1349 41.57,1350 41.57,1351 16,1352 12.693,1353 3,1354 2.322,1355 37.019,1356 80,1357 103,1358 0.236,1359 180.716,1360 318.3,1361 432.708,1362 10960,1364 16.449,1365 0.715,1366 0.631,1367 16.449,1368 14.523,1369 11.08,1370 0.443,1371 0.357,1372 8.821,1373 10.711,1374 8.523,1375 7.111,1376 11.08,1377 8.913,1378 9.937,1379 0.276,1380 0.195,1381 9.937,1382 7.005,1383 8.536,1384 0.171,1385 0.112,1386 8.536,1387 5.621,1388 7.212,1389 0.105,1390 0.061,1391 7.212,1392 4.196,1393 5.741,1394 0.067,1395 0.034,1396 5.741,1397 2.931,1398 0.367,1399 68.902,1400 0.248,1401 22.558,1402 0.65,1403 122,1404 289.449,1405 132.889,1406 276.416,1407 383.65,1408 260,1409 147,1410 289.064,1411 156.812,1412 290.17,1413 430.73,1414 274,1415 7.046}
{0 CHEMBL32453,1 1.337,2 12.92,3 5.046,4 25.459,5 102.205,6 6.045,7 0.222,8 4.096,9 4.235,10 3.482,11 3.598,12 4.971,13 3.535,14 4.719,15 4.932,16 3.821,17 4.025,18 5.572,19 3.918,20 5.015,21 5.286,22 3.811,23 4.166,24 5.716,25 4.016,26 5.012,27 5.277,28 3.74,29 4.134,30 5.772,31 3.967,32 5.009,33 5.305,34 3.628,35 3.999,36 5.778,37 3.829,38 4.784,39 5.057,40 3.5,41 3.81,42 5.609,43 3.666,44 4.619,45 4.869,46 3.427,47 3.693,48 5.513,49 3.564,50 4.586,51 4.846,52 3.31,53 3.587,54 5.531,55 3.46,56 0.062,57 0.794,58 14.302,59 5.762,60 7.282,61 8.284,62 0.385,63 1.311,64 26.465,65 9.663,66 32.602,67 14.331,68 0.298,69 1.578,70 34.394,71 12.314,72 25.878,73 18.364,74 0.264,75 1.532,76 34.134,77 12.61,78 32.886,79 18.497,80 0.343,81 1.413,82 34.007,83 11.257,84 38.722,85 16.971,86 0.374,87 1.131,88 27.691,89 9.032,90 32.828,91 13.346,92 0.248,93 1.005,94 23.652,95 7.689,96 26.998,97 11.44,98 0.406,99 0.927,100 23.237,101 6.865,102 39.144,103 10.256,104 22,105 36,106 0.224,107 0.482,108 0.725,109 0.861,110 0.889,111 0.889,112 3.266,113 1.117,114 -4.63,115 -4.55,116 -4.28,121 36.8,122 2,123 7,124 1,127 3,129 1,144 3,145 2,146 1,161 1,176 12,179 1,180 6,183 2,185 1,187 14,192 4,197 1,200 11,206 8,211 3,214 7,219 7,224 3,227 4,231 1,232 4,237 3,239 4,244 4,249 3,251 5,255 1,256 3,259 1,264 6,269 2,277 8,281 1005,282 17.292,283 17.292,284 17.292,285 17.292,286 17.292,287 16.438,288 21.27,289 10.63,290 17.612,291 13.279,292 13.279,293 13.279,294 13.279,295 13.279,296 11.881,297 25.418,298 4.993,299 13.738,300 4.495,301 2.954,302 1.501,303 0.685,304 0.518,305 0.518,306 3.951,311 1,312 1,313 688,314 3.873,317 103.442,318 59.813,320 83.858,321 89.309,324 125.658,325 2.01,326 17.271,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 53,338 323,339 4.469,340 3.669,341 6.875,342 4.267,343 3.284,344 4.007,345 2.186,346 11.519,347 3.232,348 3.907,349 3.517,350 6.012,351 3.624,352 2.681,353 3.141,354 0.8,355 8.537,356 2.527,357 3.653,358 2.857,359 5.431,360 3.361,361 2.419,362 2.798,363 0.366,364 7.162,365 2.255,366 3.327,367 2.497,368 5.12,369 2.987,370 2.022,371 2.516,373 5.785,374 1.941,375 3.048,376 2.134,377 4.796,378 2.844,379 1.855,380 2.168,382 5.418,383 1.832,384 2.843,385 1.9,386 4.436,387 2.807,388 1.808,389 1.842,391 3.903,392 1.8,393 2.464,394 1.574,395 3.827,396 2.386,397 1.398,398 1.46,400 3.614,401 1.378,402 2.429,403 1.488,404 3.791,405 2.294,406 1.319,407 1.418,409 2.729,410 1.282,411 2.26,412 1.129,413 3.396,414 2.076,415 1.085,416 1.239,418 2.662,419 1.075,420 1.846,421 1.036,422 3.143,423 1.78,424 0.804,425 0.822,427 1.479,428 0.781,429 1.666,430 0.86,431 2.93,432 1.531,433 0.549,434 0.595,436 1.159,437 0.537,438 1.335,439 0.622,440 2.643,441 1.193,442 0.234,443 0.246,445 0.417,446 0.223,447 1.167,448 0.362,449 2.512,450 1.075,451 0.091,452 0.094,454 0.155,455 0.089,456 0.956,457 0.221,458 2.368,459 0.681,460 -0.281,461 -0.318,463 -0.658,464 -0.267,465 0.602,466 -0.272,467 2.176,468 0.403,469 -0.606,470 -0.654,472 -1.099,473 -0.604,474 11.967,475 0.479,476 0.448,477 0.018,478 23.5,479 0.94,480 8,481 0.32,482 15.5,483 0.62,484 26.7,485 1.068,486 29.433,487 0.516,488 14.294,489 0.572,490 3.781,491 0.151,492 8.443,493 0.338,494 0.111,496 0.284,501 0.794,502 1.474,503 1.005,504 1.307,505 0.59,506 1.193,507 0.633,508 1.169,509 1.016,510 1.123,511 0.391,512 1.104,513 0.967,514 0.969,515 0.972,516 0.963,517 0.662,518 0.961,519 0.939,520 1.157,521 1.017,522 1.146,523 0.911,524 1.102,525 1.217,526 0.954,527 0.922,528 0.917,529 1.255,530 0.892,531 1.596,532 0.901,533 1.018,534 0.888,535 1.517,536 0.897,537 1.619,538 1.181,539 1.107,540 1.103,541 1.889,542 1.061,543 2.114,544 0.833,545 1.222,546 0.863,547 2.665,548 0.937,549 4,550 0.077,551 2.222,552 1.576,553 1.103,554 0.545,555 0.416,556 0.291,557 0.201,558 0.115,559 7774,560 13399,561 2.062,562 56.1,563 11,564 10,567 1,569 10,572 1.673,573 1.948,574 3.61,575 -0.396,582 76.236,583 1.337,584 2.879,585 4.332,586 5.148,587 5.315,588 5.315,589 3.133,590 4.484,591 4.604,592 3.771,593 1131.37,594 7.933,595 14399.1,597 1,600 332.475,601 1.323,602 4.583,603 0.148,604 0.005,605 0.062,606 0.045,607 0.036,608 0.02,609 0.017,610 0.013,611 0.011,612 0.007,613 0.364,614 0.33,615 1,616 2.33,617 123.788,618 0.017,619 -0.139,620 0.062,621 -0.05,622 0.012,623 0.001,624 0.297,625 0.013,626 0.02,627 -0.026,628 0.243,629 -0.031,630 -0.051,631 0.065,632 0.018,633 0.043,634 0.013,635 0.042,636 -0.011,637 -0.156,638 -0.036,639 -0.121,640 0.025,641 -0.088,642 -0.027,643 -0.026,644 0.071,645 0.013,646 -0.021,647 0.049,648 -0.046,649 0.044,650 0.022,651 0.055,652 -0.101,653 0.046,654 -0.094,655 -0.178,656 -0.052,657 -0.123,658 -0.146,659 -0.09,660 -0.13,661 0.149,662 -0.118,663 0.041,664 -0.227,665 -0.029,666 1.994,667 4.986,668 0.48,669 28.16,670 0.984,671 1.134,672 3.396,673 11.53,674 0.62,675 3.332,676 3.611,677 3.892,678 4.19,679 4.382,680 4.543,681 4.71,682 4.787,683 4.787,684 4.804,685 7.175,686 0.568,687 344.55,688 3.332,689 4.844,690 5.687,691 6.561,692 7.437,693 8.331,694 9.225,695 10.131,696 11.037,697 11.951,698 3.5,701 1,705 1,715 3,720 3,722 6,737 1,741 57,743 7,744 1,745 27,747 59,748 21,749 6,750 3,751 3,756 3,757 6,763 2,767 3,768 1,770 8,772 7,773 14,774 1,777 1,782 1,786 1,793 32,794 4,795 1,796 4,802 2,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 2,868 25,876 10,877 1,878 1,880 2,881 1,893 3.5,896 1,898 1,901 12.833,902 10.45,903 5.778,904 4.239,907 1.285,908 1.177,909 0.939,910 6.634,911 8.559,912 3.466,913 3.902,914 4.347,915 4.855,916 5.32,917 5.577,918 5.922,919 6.198,920 6.239,921 6.347,922 0.889,923 35,924 9.343,926 3.869,927 0.026,929 7.473,931 18.783,933 15.807,936 1.973,937 49.333,938 0.001,940 1,941 364.904,942 88.515,943 21.135,945 36.145,948 88.515,949 401.049,950 21.135,951 17.65,952 42.07,953 28.429,954 25.145,955 25.739,956 6.763,957 364.904,959 364.904,960 109.65,961 36.145,964 247.193,965 153.856,968 62.844,969 46.806,972 364.904,973 57.28,974 88.515,977 364.904,978 42.436,979 49.203,980 18.011,981 36.145,982 364.904,983 57.28,984 88.515,986 0.557,987 0.323,988 0.178,989 0.094,990 16,991 7,992 0.153,993 9,994 2,995 1.333,996 3.855,997 194.104,998 0.333,999 12,1000 116.096,1005 18.567,1006 8.933,1007 4.495,1009 57.28,1010 6.186,1015 3.5,1017 18.011,1018 510.699,1019 31,1024 11.986,1028 -0.327,1031 56.112,1032 64.643,1034 0.229,1035 0.494,1036 0.743,1037 0.883,1038 0.911,1039 0.911,1040 4.705,1041 1.319,1042 5.645,1043 3.614,1044 4.29,1045 4.585,1046 2.351,1047 6.45,1048 4.227,1049 5.83,1050 1.085,1051 7.191,1052 2.729,1053 3.761,1054 4.27,1055 1.847,1056 7.357,1057 3.657,1058 7.1,1059 0.804,1060 8.844,1061 2.662,1062 5.855,1063 6.551,1064 3.504,1065 10.508,1066 5.727,1067 8.406,1068 0.549,1069 10.564,1070 1.479,1071 6.236,1072 7.108,1073 3.598,1074 12.334,1075 6.08,1076 9.754,1077 0.234,1078 12.331,1079 1.159,1080 7.751,1081 8.882,1082 4.907,1083 14.998,1084 7.577,1085 11.129,1086 0.091,1087 14.13,1088 0.417,1089 8.569,1090 9.838,1091 5.29,1092 17.196,1093 8.381,1094 12.526,1095 -0.281,1096 15.954,1097 0.155,1098 9.86,1099 11.414,1100 6.387,1101 19.706,1102 9.66,1103 3.284,1104 -0.606,1105 17.797,1106 -0.658,1107 10.882,1108 12.57,1109 6.93,1110 22.052,1111 10.673,1112 2.681,1113 11.519,1114 19.655,1115 -1.099,1116 12.093,1117 14.055,1118 7.902,1119 24.514,1120 11.873,1121 2.419,1122 8.537,1123 21.524,1124 4.007,1125 13.205,1126 15.316,1127 8.539,1128 26.917,1129 12.977,1130 2.022,1131 7.162,1132 23.404,1133 3.141,1134 14.391,1135 16.756,1136 9.436,1137 29.365,1138 14.153,1139 1.855,1140 5.785,1141 25.292,1142 2.798,1143 15.543,1144 18.073,1145 10.13,1146 31.791,1147 15.295,1148 1.808,1149 5.418,1150 27.186,1151 2.516,1152 16.724,1153 19.49,1154 10.981,1155 34.235,1156 16.465,1157 1.398,1158 3.903,1159 29.085,1160 2.168,1161 17.893,1162 20.838,1163 11.71,1164 36.671,1165 17.623,1166 7692,1167 10270,1168 18.087,1169 35.341,1170 38.977,1171 40.092,1172 40.851,1173 39.124,1174 39.095,1175 44.691,1176 6.705,1177 109.077,1178 37.9,1179 5.431,1180 5.669,1181 6.839,1182 5.346,1183 5.284,1184 7.007,1185 3.889,1186 18.863,1187 5.232,1188 11.612,1189 1.444,1190 1.485,1191 1.513,1192 1.449,1193 1.448,1194 1.655,1195 0.248,1196 4.04,1197 1.404,1198 4.082,1199 4.117,1200 4.017,1201 4.007,1202 7.435,1203 4.005,1204 3.784,1205 3.851,1206 3.652,1207 3.648,1208 4.814,1209 3.63,1210 3.712,1211 3.76,1212 3.595,1213 3.563,1214 4.394,1215 3.567,1216 3.573,1217 3.645,1218 3.434,1219 3.384,1220 4.255,1221 3.377,1222 3.394,1223 3.464,1224 3.224,1225 3.214,1226 4.149,1227 3.198,1228 3.323,1229 3.392,1230 3.129,1231 3.1,1232 4.027,1233 3.111,1234 3.163,1235 3.24,1236 2.978,1237 3.004,1238 3.879,1239 2.988,1240 3.02,1241 3.089,1242 2.806,1243 2.78,1244 3.738,1245 2.784,1246 0.166,1247 0.136,1248 0.255,1249 0.158,1250 0.122,1251 4.469,1252 0.148,1253 3.669,1254 0.081,1255 6.875,1256 0.427,1257 4.267,1258 0.12,1259 3.284,1260 4.007,1261 2.186,1262 11.519,1263 3.232,1264 1.901,1265 1.883,1266 2.039,1267 1.992,1268 1.379,1269 1.997,1270 1.782,1271 1.718,1272 2.001,1273 1.946,1274 1.278,1275 1.977,1276 1.641,1277 1.575,1278 1.876,1279 1.854,1280 1.216,1281 1.865,1282 1.567,1283 1.499,1284 1.852,1285 1.785,1286 1.121,1287 1.807,1288 1.554,1289 1.483,1290 1.802,1291 1.71,1292 1.071,1293 1.745,1294 1.298,1295 1.236,1296 1.604,1297 1.566,1298 0.826,1299 1.571,1300 1.249,1301 1.165,1302 1.574,1303 1.485,1304 0.778,1305 1.527,1306 1.035,1307 0.98,1308 1.298,1309 1.312,1310 0.461,1311 1.316,1312 4.007,1314 5.293,1315 3.045,1316 6.77,1317 5.476,1318 8.35,1319 7.636,1320 9.999,1322 4.451,1328 11.326,1329 2.869,1330 5.505,1332 1.257,1333 2.58,1340 32.374,1341 76.236,1342 164.094,1343 246.926,1344 293.455,1345 302.965,1346 302.965,1347 42.399,1348 7.274,1349 41.57,1350 41.57,1351 16,1352 12.466,1353 3,1354 2.322,1355 42.24,1356 105,1357 136,1358 0.194,1359 199.901,1360 352.9,1361 479.518,1362 13878,1364 17.648,1365 0.706,1366 0.629,1367 17.648,1368 15.722,1369 12.224,1370 0.453,1371 0.372,1372 9.959,1373 11.854,1374 9.71,1375 8.105,1376 12.224,1377 10.051,1378 10.309,1379 0.286,1380 0.205,1381 10.309,1382 7.386,1383 8.618,1384 0.18,1385 0.12,1386 8.618,1387 5.773,1388 7.29,1389 0.112,1390 0.068,1391 7.29,1392 4.399,1393 5.618,1394 0.071,1395 0.037,1396 5.618,1397 2.936,1398 0.315,1399 75.766,1400 0.235,1401 24.951,1402 0.504,1403 126,1404 293.449,1405 136.889,1406 279.825,1407 386.85,1408 264,1409 147,1410 288.064,1411 156.645,1412 287.755,1413 424.88,1414 273,1415 6.419}
{0 CHEMBL325109,1 1.579,2 11.731,3 2.634,4 6.937,5 105.567,6 7.478,7 0.429,8 3.994,9 4.12,10 3.556,11 3.528,12 5.061,13 3.494,14 4.54,15 4.721,16 3.907,17 3.923,18 5.545,19 3.86,20 4.819,21 5.03,22 4.023,23 4.087,24 5.808,25 3.989,26 4.93,27 5.179,28 3.92,29 4.054,30 5.92,31 3.922,32 4.84,33 5.082,34 3.924,35 3.962,36 5.886,37 3.855,38 4.762,39 4.989,40 3.735,41 3.948,42 5.799,43 3.812,44 4.773,45 5.033,46 3.614,47 3.897,48 5.594,49 3.723,50 4.621,51 4.883,52 3.478,53 3.713,54 5.486,55 3.54,56 0.028,57 0.708,58 10.622,59 4.554,60 9.113,61 6.15,62 0.206,63 1.124,64 20.722,65 7.637,66 21.698,67 10.513,68 0.238,69 1.392,70 30.026,71 10.201,72 37.893,73 14.267,74 0.541,75 1.42,76 36.637,77 11.519,78 58.903,79 16.147,80 0.518,81 1.289,82 33.261,83 10.366,84 66.9,85 14.334,86 0.44,87 1.238,88 28.922,89 9.762,90 67.87,91 13.391,92 0.313,93 1.165,94 33.212,95 10.598,96 44.952,97 14.63,98 0.358,99 0.992,100 29.508,101 8.685,102 40.542,103 12.103,104 18,105 38,106 0.268,107 0.615,108 0.772,109 0.825,110 0.834,111 0.834,112 3.303,113 0.98,114 -3.99,115 -3.94,116 -3.73,121 40,123 2,126 1,127 3,129 1,144 7,145 2,146 3,160 1,165 1,166 1,167 1,176 7,180 6,183 1,185 4,187 9,189 1,192 4,197 3,200 6,203 2,205 1,206 5,208 1,209 3,211 2,214 4,216 1,219 3,224 1,227 6,231 1,232 3,234 1,235 1,236 1,237 1,238 1,239 6,244 1,249 2,251 4,255 1,256 2,261 4,264 1,266 2,269 3,274 1,277 3,281 996,282 17.524,283 17.524,284 17.524,285 17.524,286 17.524,287 15.852,288 25.156,289 10.397,290 17.964,291 13.75,292 13.75,293 13.75,294 13.75,295 13.75,296 11.233,297 37.622,298 4.887,299 14.414,300 4.065,301 2.027,302 1.103,303 0.79,304 0.735,305 0.735,306 3.985,308 1,310 1,311 1,312 1,313 646,314 3.082,318 286.539,325 1.926,326 25.147,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 55.833,338 305,339 4.439,340 3.625,341 6.511,342 4.051,343 3.08,344 4.119,345 1.058,346 10.177,347 2.988,348 3.943,349 3.147,350 5.805,351 3.687,352 2.732,353 3.457,354 0.916,355 7.862,356 2.615,357 3.875,358 3.016,359 5.618,360 3.524,361 2.563,362 3.248,363 0.86,364 7.66,365 2.459,366 3.59,367 2.723,368 5.384,369 3.362,370 2.401,371 2.683,372 0.172,373 7.003,374 2.279,375 3.338,376 2.562,377 5.044,378 3.039,379 2.108,380 2.493,382 5.993,383 1.946,384 3.093,385 2.244,386 4.876,387 2.823,388 1.874,389 2.197,391 5.383,392 1.74,393 2.835,394 1.786,395 4.17,396 2.417,397 1.426,398 1.945,400 3.594,401 1.41,402 2.725,403 1.519,404 3.591,405 2.295,406 1.325,407 1.736,409 3.032,410 1.252,411 2.5,412 1.46,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2,421 1.077,422 3.305,423 1.984,424 1,425 1,427 2.136,428 0.983,429 1.861,430 1,431 3.247,432 1.537,433 0.69,434 0.767,436 1.421,437 0.551,438 1.371,439 0.692,440 2.871,441 1.191,442 0.226,443 0.247,445 0.52,446 0.216,447 1.251,448 0.623,449 2.688,450 0.925,451 0.053,452 0.061,454 0.096,455 0.042,456 0.962,457 0.228,458 2.47,459 0.686,460 -0.299,461 -0.349,463 -0.746,464 -0.284,465 0.764,466 -0.206,467 2.255,468 0.3,469 -0.616,470 -0.779,472 -1.575,473 -0.515,474 12.581,475 0.484,476 0.609,477 0.023,478 31,479 1.192,480 14.5,481 0.558,482 16.5,483 0.635,484 22.694,485 0.873,486 28.819,487 0.576,488 22.494,489 0.865,490 6.22,491 0.239,492 6.342,493 0.244,494 0.155,496 0.31,501 0.808,502 1.305,503 0.7,504 1.026,505 0.691,506 0.962,507 0.966,508 1.115,509 0.78,510 0.914,511 0.589,512 0.928,513 0.925,514 1.22,515 0.925,516 1.113,517 0.788,518 1.086,519 0.901,520 0.968,521 0.977,522 1.003,523 0.999,524 1,525 1.006,526 0.989,527 0.752,528 0.952,529 1.322,530 0.921,531 1.136,532 0.975,533 1.03,534 1.032,535 1.537,536 1.128,537 1.029,538 1.002,539 1.151,540 1.075,541 0.896,542 1.069,543 1.132,544 1.002,545 1.252,546 1.045,547 1.011,548 1.054,549 5.5,550 0.12,551 2.667,552 1.563,553 1.738,554 0.681,555 0.443,556 0.332,557 0.238,558 0.157,559 8438,560 22707,561 2.037,562 48,564 17,567 3,570 4,572 1.686,573 1.902,574 3.498,575 0.936,576 1,577 1,582 78.96,583 1.579,584 3.617,585 4.541,586 4.854,587 4.909,588 4.909,589 2.922,590 4.133,591 4.672,592 3.678,593 1195.46,594 8.069,595 15452.1,597 1,599 1,600 282.193,601 1.42,602 4.628,603 0.196,604 0.007,605 0.07,606 0.04,607 0.051,608 0.021,609 0.016,610 0.014,611 0.012,612 0.009,613 0.437,614 0.33,615 1,616 0.777,617 129.288,618 -0.061,619 -0.062,620 0.019,621 -0.004,622 -0.06,623 0.025,624 -0.049,625 0.024,626 0.016,627 0.064,628 0.056,629 0.037,630 -0.035,631 -0.156,632 -0.029,633 -0.135,634 0.037,635 -0.113,636 0.136,637 -0.001,638 -0.009,639 -0.045,640 0.073,641 -0.034,642 0.125,643 -0.043,644 0.133,645 0.001,646 0.066,647 0.043,648 -0.063,649 0.034,650 -0.155,651 -0.075,652 -0.129,653 -0.171,654 -0.091,655 -0.098,656 -0.086,657 -0.07,658 -0.102,659 -0.065,660 -0.078,661 -0.09,662 -0.107,663 -0.056,664 -0.106,665 -0.069,666 1.842,667 5.625,668 0.692,669 25.562,670 1,671 1.128,672 2.758,673 7.605,674 0.663,675 3.367,676 3.664,677 3.892,678 4.094,679 4.317,680 4.234,681 4.248,682 4.29,683 4.357,684 4.407,685 6.906,686 0.622,687 373.92,688 3.367,689 4.89,690 5.72,691 6.578,692 7.425,693 8.284,694 9.137,695 9.997,696 10.853,697 11.714,698 6,701 1,702 1,705 1,715 7,720 5,722 12,729 1,733 1,739 1,740 1,741 50,743 13,744 2,745 28,747 52,748 20,749 12,750 5,751 7,752 1,756 3,757 3,758 1,767 3,770 3,772 13,773 7,777 1,782 1,786 1,789 1,790 1,793 24,794 5,795 3,796 6,797 1,802 3,808 1,809 2,829 3,855 1,859 3,864 1,865 1,868 26,869 1,876 5,877 1,878 1,880 1,881 1,892 1,893 4,896 1,898 1,901 13.667,902 8.926,903 5.833,904 2.905,907 2.007,908 1.285,909 0.967,910 6.406,911 9.05,912 3.584,913 4.111,914 4.595,915 5.059,916 5.531,917 5.479,918 5.485,919 5.466,920 5.621,921 5.727,922 0.875,923 39,924 9.627,926 4.032,927 0.026,929 7.729,931 18.498,933 15.09,936 2.229,937 57.944,940 1,941 247.193,942 111.18,943 54.032,944 39.149,945 36.145,948 111.18,949 322.487,950 54.032,951 10.883,952 29.397,953 99.231,954 29.85,955 31.996,957 247.193,958 39.149,959 247.193,960 165.212,961 36.145,962 39.149,964 200.109,965 83.229,968 32.521,969 132.691,970 39.149,972 247.193,973 90.177,974 150.328,977 247.193,978 33.963,979 80.341,980 18.011,981 108.191,982 247.193,983 90.177,984 150.328,986 0.576,987 0.337,988 0.177,989 0.101,990 17,991 8,992 0.096,993 5,995 1,996 3.838,997 207.108,999 18,1000 114.211,1005 19.021,1006 8.757,1007 4.917,1009 90.177,1010 13.592,1015 2.92,1017 50.908,1018 487.698,1019 35,1024 12.625,1028 -0.176,1031 50.003,1032 56.425,1034 0.28,1035 0.641,1036 0.805,1037 0.86,1038 0.87,1039 0.87,1040 4.812,1041 1.325,1042 5.694,1043 3.594,1044 4.344,1045 4.796,1046 1.828,1047 6.46,1048 4.256,1049 5.985,1050 1,1051 7.229,1052 3.032,1053 3.892,1054 4.527,1055 0.325,1056 7.261,1057 3.734,1058 7.269,1059 1,1060 8.861,1061 2.275,1062 5.9,1063 6.879,1064 1.716,1065 10.325,1066 5.74,1067 8.583,1068 0.69,1069 10.547,1070 2.136,1071 6.236,1072 7.406,1073 0.393,1074 11.927,1075 6.009,1076 9.928,1077 0.226,1078 12.269,1079 1.421,1080 7.716,1081 9.264,1082 1.672,1083 14.512,1084 7.488,1085 11.294,1086 0.053,1087 14.015,1088 0.52,1089 8.426,1090 10.18,1091 0.384,1092 16.479,1093 8.143,1094 12.678,1095 -0.299,1096 15.78,1097 0.096,1098 9.682,1099 11.82,1100 1.667,1101 18.889,1102 9.391,1103 3.08,1104 -0.616,1105 17.558,1106 -0.746,1107 10.583,1108 12.948,1109 0.351,1110 21.037,1111 10.248,1112 2.732,1113 10.177,1114 19.348,1115 -1.575,1116 11.741,1117 14.478,1118 1.688,1119 23.383,1120 11.392,1121 2.563,1122 7.862,1123 21.148,1124 4.119,1125 12.741,1126 15.726,1127 0.312,1128 25.618,1129 12.353,1130 2.401,1131 7.66,1132 22.957,1133 3.457,1134 13.86,1135 17.198,1136 1.729,1137 27.942,1138 13.453,1139 2.108,1140 7.003,1141 24.773,1142 3.248,1143 14.911,1144 18.515,1145 0.273,1146 30.22,1147 14.471,1148 1.874,1149 5.993,1150 26.596,1151 2.683,1152 16.018,1153 19.957,1154 1.786,1155 32.538,1156 15.555,1157 1.426,1158 5.383,1159 28.425,1160 2.493,1161 17.096,1162 21.314,1163 0.236,1164 34.837,1165 16.603,1166 8200,1167 13604,1168 18.493,1169 33.159,1170 41.141,1171 42.813,1172 42.531,1173 41.016,1174 40.954,1175 50.906,1176 6.014,1177 114.305,1178 38.963,1179 5.439,1180 5.625,1181 6.312,1182 5.086,1183 5.08,1184 7.119,1185 2.117,1186 17.022,1187 4.988,1188 13.116,1189 1.469,1190 1.529,1191 1.519,1192 1.465,1193 1.463,1194 1.818,1195 0.215,1196 4.082,1197 1.392,1198 3.989,1199 4.027,1200 4.04,1201 3.895,1202 7.429,1203 3.898,1204 3.918,1205 3.942,1206 3.862,1207 3.848,1208 5.158,1209 3.844,1210 3.794,1211 3.845,1212 3.701,1213 3.664,1214 4.757,1215 3.66,1216 3.39,1217 3.45,1218 3.472,1219 3.159,1220 4.721,1221 3.187,1222 3.267,1223 3.329,1224 3.24,1225 3.023,1226 4.614,1227 3.027,1228 3.161,1229 3.224,1230 3.024,1231 2.961,1232 4.345,1233 2.969,1234 3.111,1235 3.206,1236 2.94,1237 2.941,1238 3.999,1239 2.91,1240 2.894,1241 2.994,1242 2.866,1243 2.735,1244 3.872,1245 2.715,1246 0.159,1247 0.129,1248 0.233,1249 0.145,1250 0.11,1251 4.439,1252 0.147,1253 3.625,1254 0.038,1255 6.511,1256 0.363,1257 4.051,1258 0.107,1259 3.08,1260 4.119,1261 1.058,1262 10.177,1263 2.988,1264 1.931,1265 1.898,1266 2.079,1267 2.068,1268 1.413,1269 2.074,1270 1.896,1271 1.88,1272 1.994,1273 1.996,1274 1.138,1275 1.994,1276 1.787,1277 1.732,1278 1.932,1279 1.926,1280 1.071,1281 1.941,1282 1.295,1283 1.236,1284 1.566,1285 1.567,1286 0.825,1287 1.547,1288 1.2,1289 1.132,1290 1.514,1291 1.521,1292 0.732,1293 1.535,1294 1.153,1295 1.072,1296 1.513,1297 1.376,1298 0.571,1299 1.429,1300 1.125,1301 1.064,1302 1.335,1303 1.36,1304 0.441,1305 1.367,1306 0.886,1307 0.821,1308 1.183,1309 1.158,1310 0.219,1311 1.174,1312 4.043,1314 5.342,1316 6.838,1318 8.42,1320 10.045,1322 1.515,1323 6.059,1326 5.779,1328 4.703,1329 3.096,1330 5.267,1332 0.149,1333 2.415,1340 31.116,1341 78.96,1342 180.832,1343 227.032,1344 242.683,1345 245.438,1346 245.438,1347 50.495,1348 7.043,1349 67.59,1350 67.59,1351 18,1352 12.265,1353 3.807,1354 3,1355 44.617,1356 109,1357 104,1358 0.201,1359 196.654,1360 342.99,1361 471.595,1362 10796,1363 2,1364 18.518,1365 0.712,1366 0.601,1367 19.018,1368 15.629,1369 12.563,1370 0.449,1371 0.327,1372 8.682,1373 11.851,1374 8.427,1375 6.989,1376 12.852,1377 9.145,1378 11.098,1379 0.292,1380 0.184,1381 11.468,1382 6.991,1383 9.214,1384 0.192,1385 0.105,1386 9.616,1387 5.063,1388 7.203,1389 0.122,1390 0.058,1391 7.407,1392 3.419,1393 6.057,1394 0.082,1395 0.034,1396 6.356,1397 2.532,1398 0.322,1399 81.555,1400 0.233,1401 25.533,1402 0.531,1403 132,1404 368.965,1405 157.775,1406 386.561,1407 511.07,1408 360,1409 152,1410 341.974,1411 174.681,1412 360.003,1413 521.2,1414 336,1415 6.051}
{0 CHEMBL32543,1 1.337,2 12.72,3 5.113,4 26.145,5 102.128,6 6.045,7 0.222,8 4.096,9 4.235,10 3.482,11 3.598,12 4.971,13 3.535,14 4.719,15 4.932,16 3.821,17 4.025,18 5.571,19 3.918,20 5.015,21 5.285,22 3.814,23 4.162,24 5.718,25 4.013,26 5.014,27 5.284,28 3.759,29 4.13,30 5.769,31 3.97,32 4.993,33 5.275,34 3.683,35 4.03,36 5.776,37 3.872,38 4.853,39 5.123,40 3.549,41 3.896,42 5.668,43 3.743,44 4.72,45 4.992,46 3.457,47 3.761,48 5.563,49 3.618,50 4.557,51 4.792,52 3.351,53 3.629,54 5.549,55 3.506,56 0.062,57 0.794,58 14.302,59 5.762,60 7.282,61 8.284,62 0.385,63 1.311,64 26.465,65 9.663,66 32.352,67 14.331,68 0.293,69 1.58,70 34.407,71 12.261,72 26.331,73 18.333,74 0.286,75 1.536,76 34.317,77 12.327,78 33.118,79 18.253,80 0.332,81 1.431,82 33.687,83 11.327,84 36.992,85 16.958,86 0.38,87 1.228,88 29.603,89 9.904,90 34.225,91 14.585,92 0.272,93 1.081,94 25.819,95 8.516,96 28.544,97 12.678,98 0.375,99 0.932,100 22.669,101 7.151,102 40.863,103 10.409,104 24,105 36,106 0.224,107 0.482,108 0.721,109 0.848,110 0.889,111 0.889,112 3.266,113 1.117,114 -4.63,115 -4.55,116 -4.28,121 36.8,122 2,123 7,124 1,127 3,129 1,144 3,145 2,146 1,161 1,176 12,179 1,180 6,183 2,185 1,187 13,192 5,197 1,200 10,206 8,211 3,214 6,219 7,224 3,227 6,231 1,232 4,237 3,239 6,244 4,249 2,251 7,255 1,256 3,259 1,264 7,269 1,277 8,281 971,282 17.292,283 17.292,284 17.292,285 17.292,286 17.292,287 16.438,288 21.27,289 10.74,290 17.576,291 13.317,292 13.317,293 13.317,294 13.317,295 13.317,296 11.919,297 25.418,298 5.047,299 13.768,300 4.495,301 2.954,302 1.523,303 0.763,304 0.518,305 0.518,306 3.951,311 1,312 1,313 672,314 3.873,317 100.645,318 59.13,320 81.779,321 87.593,324 123.252,325 1.971,326 17.324,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 53,338 318,339 4.47,340 3.669,341 6.876,342 4.268,343 3.285,344 4.007,345 2.186,346 11.525,347 3.232,348 3.909,349 3.518,350 6.017,351 3.628,352 2.684,353 3.142,354 0.8,355 8.572,356 2.531,357 3.657,358 2.864,359 5.433,360 3.366,361 2.425,362 2.802,363 0.366,364 7.172,365 2.259,366 3.33,367 2.501,368 5.126,369 2.992,370 2.027,371 2.519,373 5.819,374 1.945,375 3.055,376 2.138,377 4.796,378 2.853,379 1.863,380 2.174,382 5.421,383 1.842,384 2.797,385 1.875,386 4.463,387 2.756,388 1.758,389 1.795,391 4.044,392 1.75,393 2.543,394 1.55,395 3.793,396 2.398,397 1.417,398 1.548,400 3.492,401 1.388,402 2.286,403 1.461,404 3.772,405 2.217,406 1.23,407 1.272,409 2.743,410 1.209,411 2.255,412 1.191,413 3.267,414 2.107,415 1.12,416 1.231,418 2.308,419 1.104,420 1.983,421 0.95,422 3.214,423 1.884,424 0.899,425 0.964,427 1.743,428 0.884,429 1.6,430 0.889,431 3.006,432 1.513,433 0.549,434 0.565,436 1.058,437 0.525,438 1.533,439 0.751,440 2.771,441 1.362,442 0.375,443 0.413,445 0.778,446 0.369,447 1.063,448 0.44,449 2.407,450 0.82,451 -0.123,452 -0.132,454 -0.259,455 -0.115,456 0.817,457 -0.008,458 2.315,459 0.668,460 -0.333,461 -0.364,463 -0.597,464 -0.328,465 0.608,466 -0.235,467 2.116,468 0.423,469 -0.55,470 -0.594,472 -1.09,473 -0.532,474 11.967,475 0.479,476 0.448,477 0.018,478 23.5,479 0.94,480 8,481 0.32,482 15.5,483 0.62,484 26.821,485 1.073,486 29.433,487 0.516,488 14.372,489 0.575,490 3.759,491 0.15,492 8.465,493 0.339,494 0.111,496 0.284,501 0.794,502 1.474,503 1.005,504 1.307,505 0.59,506 1.193,507 0.633,508 1.169,509 1.016,510 1.123,511 0.394,512 1.104,513 0.958,514 1.005,515 0.967,516 0.98,517 0.663,518 0.97,519 1.001,520 1.087,521 0.995,522 1.068,523 0.908,524 1.036,525 1.245,526 0.999,527 0.965,528 0.965,529 1.278,530 0.939,531 1.501,532 0.961,533 1.059,534 0.961,535 1.434,536 0.969,537 1.46,538 1.007,539 0.995,540 0.963,541 1.685,542 0.936,543 2.08,544 0.977,545 1.296,546 1.021,547 2.705,548 1.075,549 4,550 0.094,551 2.222,552 1.576,553 1.103,554 0.625,555 0.471,556 0.291,557 0.207,558 0.115,559 7516,560 13079,561 2.062,562 56.1,563 12,564 10,567 1,569 9,572 1.675,573 1.948,574 3.59,575 -0.396,582 76.236,583 1.337,584 2.879,585 4.31,586 5.07,587 5.315,588 5.315,589 3.113,590 4.484,591 4.602,592 3.736,593 1120.87,594 7.941,595 14079,600 332.475,601 1.323,602 4.583,603 0.148,604 0.006,605 0.062,606 0.045,607 0.034,608 0.022,609 0.019,610 0.013,611 0.01,612 0.007,613 0.366,614 0.33,615 1,616 2.25,617 123.17,618 0.017,619 -0.139,620 0.062,621 -0.05,622 0.012,623 0.001,624 0.297,625 0.013,626 0.02,627 -0.026,628 0.24,629 -0.031,630 -0.042,631 0.028,632 0.023,633 0.025,634 0.014,635 0.033,636 -0.026,637 -0.082,638 -0.007,639 -0.061,640 0.027,641 -0.035,642 -0.042,643 -0.04,644 0.039,645 -0.009,646 -0.03,647 0.02,648 -0.049,649 -0.003,650 -0.027,651 -0.001,652 -0.101,653 -0.012,654 -0.069,655 -0.046,656 0.032,657 -0.007,658 -0.109,659 0.02,660 -0.124,661 0.04,662 -0.188,663 -0.057,664 -0.207,665 -0.124,666 1.995,667 4.969,668 0.48,669 28.515,670 0.984,671 1.134,672 3.396,673 11.53,674 0.62,675 3.332,676 3.611,677 3.892,678 4.205,679 4.407,680 4.575,681 4.762,682 4.852,683 4.852,684 4.905,685 6.987,686 0.568,687 344.55,688 3.332,689 4.844,690 5.687,691 6.564,692 7.441,693 8.338,694 9.235,695 10.144,696 11.052,697 11.968,698 3.5,701 1,705 1,715 3,720 3,722 6,737 1,741 57,743 7,744 1,745 27,747 59,748 21,749 6,750 3,751 3,756 3,757 6,763 2,767 3,768 1,770 8,772 7,773 14,774 1,777 1,782 1,786 1,793 32,794 4,795 1,796 4,802 2,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 2,868 25,876 10,877 1,878 1,880 2,881 1,893 3.5,896 1,898 1,901 12.833,902 10.45,903 5.778,904 4.239,907 1.29,908 1.176,909 0.939,910 6.634,911 8.605,912 3.466,913 3.902,914 4.347,915 4.863,916 5.33,917 5.589,918 5.944,919 6.228,920 6.28,921 6.42,922 0.889,923 35,924 9.343,926 3.869,927 0.026,929 7.473,931 18.783,933 15.807,936 1.973,937 49.333,938 0.001,940 1,941 364.904,942 88.515,943 21.135,945 36.145,948 88.515,949 401.049,950 21.135,951 17.65,952 42.07,953 28.429,954 25.145,955 25.739,956 6.763,957 364.904,959 364.904,960 109.65,961 36.145,964 258.964,965 142.085,968 62.844,969 46.806,972 364.904,973 57.28,974 88.515,977 364.904,978 42.436,979 49.203,980 18.011,981 36.145,982 364.904,983 57.28,984 88.515,986 0.554,987 0.318,988 0.18,989 0.098,990 16,991 7,992 0.153,993 9,994 2,995 1.333,996 3.829,997 195.801,998 0.333,999 12,1000 116.096,1005 18.567,1006 8.933,1007 4.495,1009 57.28,1010 6.203,1015 3.513,1017 18.011,1018 510.699,1019 31,1024 11.969,1028 -0.329,1031 56.112,1032 64.643,1034 0.229,1035 0.494,1036 0.739,1037 0.869,1038 0.911,1039 0.911,1040 4.705,1041 1.23,1042 5.645,1043 3.492,1044 4.29,1045 4.585,1046 2.351,1047 6.454,1048 4.227,1049 5.83,1050 1.12,1051 7.191,1052 2.743,1053 3.761,1054 4.27,1055 1.847,1056 7.357,1057 3.657,1058 7.1,1059 0.899,1060 8.844,1061 2.308,1062 5.855,1063 6.551,1064 3.504,1065 10.515,1066 5.726,1067 8.406,1068 0.549,1069 10.566,1070 1.743,1071 6.236,1072 7.108,1073 3.598,1074 12.339,1075 6.08,1076 9.754,1077 0.375,1078 12.333,1079 1.058,1080 7.753,1081 8.882,1082 4.907,1083 15.005,1084 7.578,1085 11.13,1086 -0.123,1087 14.132,1088 0.778,1089 8.571,1090 9.839,1091 5.29,1092 17.202,1093 8.383,1094 12.527,1095 -0.333,1096 15.957,1097 -0.259,1098 9.865,1099 11.415,1100 6.387,1101 19.713,1102 9.662,1103 3.285,1104 -0.55,1105 17.8,1106 -0.597,1107 10.886,1108 12.57,1109 6.93,1110 22.058,1111 10.676,1112 2.684,1113 11.525,1114 19.658,1115 -1.09,1116 12.098,1117 14.056,1118 7.902,1119 24.521,1120 11.876,1121 2.425,1122 8.572,1123 21.528,1124 4.007,1125 13.21,1126 15.316,1127 8.539,1128 26.924,1129 12.98,1130 2.027,1131 7.172,1132 23.407,1133 3.142,1134 14.396,1135 16.757,1136 9.436,1137 29.372,1138 14.156,1139 1.863,1140 5.819,1141 25.295,1142 2.802,1143 15.548,1144 18.073,1145 10.13,1146 31.798,1147 15.298,1148 1.758,1149 5.421,1150 27.189,1151 2.519,1152 16.729,1153 19.49,1154 10.981,1155 34.243,1156 16.468,1157 1.417,1158 4.044,1159 29.089,1160 2.174,1161 17.898,1162 20.838,1163 11.71,1164 36.679,1165 17.626,1166 7479,1167 10026,1168 18.087,1169 35.341,1170 39.28,1171 40.394,1172 41.065,1173 39.311,1174 39.266,1175 44.864,1176 6.705,1177 109.352,1178 38.075,1179 5.432,1180 5.669,1181 6.829,1182 5.346,1183 5.285,1184 7.007,1185 3.889,1186 18.879,1187 5.232,1188 11.65,1189 1.455,1190 1.496,1191 1.521,1192 1.456,1193 1.454,1194 1.662,1195 0.248,1196 4.05,1197 1.41,1198 4.084,1199 4.118,1200 4.018,1201 4.008,1202 7.435,1203 4.006,1204 3.771,1205 3.836,1206 3.653,1207 3.624,1208 4.814,1209 3.609,1210 3.722,1211 3.774,1212 3.588,1213 3.579,1214 4.392,1215 3.58,1216 3.546,1217 3.612,1218 3.411,1219 3.363,1220 4.253,1221 3.35,1222 3.479,1223 3.556,1224 3.29,1225 3.307,1226 4.143,1227 3.299,1228 3.285,1229 3.337,1230 3.122,1231 3.073,1232 4.028,1233 3.08,1234 3.133,1235 3.211,1236 2.956,1237 2.937,1238 3.937,1239 2.942,1240 2.955,1241 3.051,1242 2.774,1243 2.789,1244 3.633,1245 2.775,1246 0.166,1247 0.136,1248 0.255,1249 0.158,1250 0.122,1251 4.47,1252 0.148,1253 3.669,1254 0.081,1255 6.876,1256 0.427,1257 4.268,1258 0.12,1259 3.285,1260 4.007,1261 2.186,1262 11.525,1263 3.232,1264 1.901,1265 1.883,1266 2.025,1267 1.992,1268 1.353,1269 1.995,1270 1.764,1271 1.698,1272 2.002,1273 1.935,1274 1.278,1275 1.966,1276 1.686,1277 1.616,1278 1.934,1279 1.887,1280 1.254,1281 1.905,1282 1.569,1283 1.513,1284 1.804,1285 1.746,1286 1.126,1287 1.761,1288 1.5,1289 1.425,1290 1.794,1291 1.71,1292 1.035,1293 1.745,1294 1.387,1295 1.311,1296 1.671,1297 1.605,1298 0.933,1299 1.636,1300 1.183,1301 1.134,1302 1.475,1303 1.484,1304 0.64,1305 1.478,1306 1.009,1307 0.935,1308 1.328,1309 1.246,1310 0.512,1311 1.274,1312 4.007,1314 5.293,1315 3.045,1316 6.77,1317 5.476,1318 8.352,1319 7.636,1320 10.004,1322 4.439,1328 11.278,1329 2.858,1330 5.505,1332 1.264,1333 2.633,1340 32.374,1341 76.236,1342 164.094,1343 245.681,1344 288.965,1345 302.965,1346 302.965,1347 42.402,1348 7.315,1349 41.57,1350 41.57,1351 16,1352 12.482,1353 3,1354 2.322,1355 42.134,1356 103,1357 131,1358 0.202,1359 199.901,1360 352.9,1361 479.518,1362 14308,1364 17.648,1365 0.706,1366 0.629,1367 17.648,1368 15.722,1369 12.224,1370 0.453,1371 0.372,1372 9.959,1373 11.862,1374 9.707,1375 8.121,1376 12.224,1377 10.051,1378 10.336,1379 0.287,1380 0.207,1381 10.336,1382 7.44,1383 8.503,1384 0.177,1385 0.117,1386 8.503,1387 5.628,1388 7.335,1389 0.111,1390 0.067,1391 7.335,1392 4.395,1393 5.737,1394 0.071,1395 0.037,1396 5.737,1397 3.006,1398 0.324,1399 75.766,1400 0.235,1401 24.821,1402 0.531,1403 126,1404 293.449,1405 136.889,1406 279.952,1407 386.91,1408 264,1409 147,1410 288.064,1411 156.812,1412 288.05,1413 425.54,1414 273,1415 6.275}
{0 CHEMBL325480,1 1.875,2 4.667,3 1.249,4 1.559,5 51.102,6 17.064,7 0.462,8 2.939,9 3.001,10 3.215,11 2.746,12 4.254,13 2.675,14 3.386,15 3.452,16 3.734,17 3.163,18 4.797,19 3.055,20 3.57,21 3.666,22 3.76,23 3.191,24 5.245,25 3.021,26 3.312,27 3.457,28 3.515,29 2.881,30 4.729,31 2.654,32 2.876,33 3.008,34 3.751,35 2.378,36 4.536,37 2.154,38 1.757,39 1.819,40 2.784,41 1.357,42 3.464,43 1.072,56 0.065,57 0.195,58 7.582,59 0.839,60 9.995,61 0.866,62 0.125,63 0.31,64 14.425,65 1.484,66 18.967,67 1.64,68 0.272,69 0.4,70 41.652,71 4.515,72 51.122,73 2.949,74 0.181,75 0.321,76 29.701,77 3.529,78 30.001,79 2.498,80 0.165,81 0.212,82 14.501,83 3.452,84 33.065,85 1.636,86 0.065,87 0.065,88 13.273,89 2.428,90 13.423,91 0.579,104 10,105 19,106 0.42,107 0.736,108 0.83,109 0.897,110 0.897,111 0.897,112 2.603,113 1.019,114 -3.09,115 -3.09,116 -2.97,121 50,144 3,145 1,146 2,159 1,160 1,176 2,180 1,183 1,185 2,187 4,191 1,192 2,195 1,197 2,200 4,206 3,219 3,224 1,232 1,281 92,282 7.793,283 7.793,284 7.793,285 7.793,286 7.793,287 6.833,288 9.767,289 4.42,290 8.023,291 6.379,292 6.379,293 6.379,294 6.379,295 6.379,296 4.803,297 12.424,298 2.093,299 6.805,300 2.125,301 0.719,302 0.297,306 3.225,312 1,313 116,314 1.581,317 20.023,318 24.29,321 37.456,325 0.722,326 16.025,329 1,330 0.83,331 1,332 0.4,334 1,335 1,336 0.75,337 25.9,338 56,339 4.498,340 3.885,341 6.662,342 4.164,343 3.163,344 4.105,345 1.058,346 10.634,347 3.165,348 3.758,349 2.951,350 5.43,351 3.278,352 2.348,353 3.156,355 6.628,356 2.189,357 3.303,358 2.787,359 4.954,360 2.829,361 1.91,362 2.554,364 5.651,365 1.665,366 3.025,367 2.42,368 4.684,369 2.621,370 1.628,371 2.134,373 4.7,374 1.437,375 2.376,376 1.352,377 3.477,378 1.824,379 0.797,380 1.164,382 1.958,383 0.793,384 1.466,385 0.793,386 2.484,387 0.953,393 0.711,394 0.169,395 2.287,396 0.236,397 -0.667,398 -0.866,400 -1.632,401 -0.33,402 0.689,403 -0.155,404 2.253,405 0.174,406 -0.797,407 -1.119,409 -2.286,410 -0.803,411 0.2,412 -0.877,413 1.606,414 -0.254,415 -1.241,416 -1.645,418 -3.192,419 -1.027,420 -0.139,421 -1.104,422 1.271,423 -0.721,424 -1.45,425 -2,427 -3.924,428 -1.499,429 -0.5,430 -1.523,431 1.121,432 -0.806,433 -1.786,434 -2.201,436 -5.391,437 -1.745,438 -0.579,439 -1.807,440 1.076,441 -0.999,442 -1.906,443 -2.282,445 -6.275,446 -1.845,447 -0.809,448 -2,449 0.696,450 -1,451 -2,452 -3,453 -1.058,454 -6.872,455 -2,474 6.71,475 0.559,476 0.404,477 0.034,478 17,479 1.417,480 9.5,481 0.792,482 7.5,483 0.625,484 7.146,485 0.595,486 11.29,487 0.706,488 8.51,489 0.709,490 3.154,491 0.263,492 2.527,493 0.211,494 0.344,496 0.373,501 0.616,502 0.817,503 0.456,504 0.444,505 0.531,506 0.524,507 0.544,508 0.965,509 0.572,510 0.57,511 0.586,512 0.72,513 0.757,514 1.041,515 1.053,516 1.053,517 0.786,518 1.169,519 1.138,520 0.986,521 0.993,522 0.963,523 1.06,524 1.149,525 1.943,526 1.108,527 1.477,528 1.51,529 1.989,530 1.012,531 3.256,532 1.37,533 4.028,534 4.16,535 3.416,536 2.585,549 3,551 1.778,552 1.326,553 0.568,554 0.278,559 736,560 3581,561 1.991,562 25,564 3,567 1,572 1.463,573 1.8,574 2.334,575 -0.083,581 1,582 30,583 1.875,584 3.281,585 3.703,586 4,587 4,588 4,589 1.784,590 3.189,591 3.562,592 2.301,593 151.898,594 5.88,595 1046.68,597 1,600 64,601 1.555,602 3.478,603 0.231,605 0.094,606 0.078,607 0.057,608 0.046,613 0.506,614 1,615 1,616 0.799,617 40.491,618 -0.08,619 0.067,620 -0.001,621 0.024,622 -0.054,623 0.055,624 0.086,625 -0.095,626 -0.006,627 0.004,628 0.003,629 -0.063,630 0.193,631 -0.111,632 -0.123,633 -0.123,634 0.161,635 -0.247,636 -0.197,637 -0.03,638 -0.07,639 -0.005,640 -0.127,641 -0.063,642 -0.402,643 -0.099,644 0.006,645 -0.027,646 -0.35,647 0.351,648 -1.043,649 -0.203,650 -0.555,651 -1.015,652 -0.97,653 -0.75,666 2.202,667 4.133,668 0.75,669 4.444,670 1.037,671 1.092,672 1.862,673 3.469,674 0.881,675 2.639,676 2.996,677 3.258,678 3.497,679 3.638,680 3.466,681 3.367,682 3.219,683 2.079,684 0.693,685 2.985,686 0.801,687 273.03,688 2.639,689 4.174,690 5.03,691 5.922,692 6.801,693 7.694,694 8.58,695 9.472,696 10.361,697 11.253,698 6.3,705 1,715 3,720 3,722 6,727 1,740 1,741 16,743 8,744 1,745 13,747 17,748 8,749 6,750 3,751 3,752 2,756 2,757 3,772 8,777 2,782 2,786 2,793 4,794 3,795 1,796 4,797 1,798 1,802 1,808 0.5,809 2,828 1,829 1,832 1,843 1,859 1,867 1,868 12,877 1,892 1,893 12.5,896 2,901 6.667,902 2.976,903 2.583,904 0.876,907 1.53,908 1.281,909 1.03,910 1.734,911 6.969,912 2.944,913 3.541,914 4.099,915 4.594,916 5.09,917 5.123,918 5.272,919 5.316,920 4.467,921 3.446,922 1,923 17,924 4.423,925 0.006,926 1.943,927 0.026,929 8.246,931 8.069,932 0.002,933 6.588,934 -0.002,936 2.746,937 32.953,938 0.006,941 35.313,942 102.651,943 18.011,945 50.29,947 56.782,948 45.869,949 85.603,950 18.011,952 18.011,953 28.429,954 60.128,955 7.602,957 92.095,959 35.313,960 63.88,961 50.29,963 56.782,964 35.313,965 50.29,968 18.011,969 45.869,971 56.782,972 35.313,973 68.301,974 45.869,975 56.782,977 35.313,978 17.44,979 85.211,980 18.011,981 50.29,982 35.313,983 68.301,984 45.869,985 56.782,986 0.6,987 0.356,988 0.185,989 0.103,990 11,991 5,994 1,995 1.222,996 2.34,997 72.835,998 0.222,999 9,1000 43.02,1005 7.886,1006 2.638,1007 1.203,1009 68.301,1010 5.286,1015 2.05,1017 18.011,1018 206.265,1019 18,1024 22.013,1028 -0.976,1031 16.593,1032 17.468,1034 0.469,1035 0.82,1036 0.926,1037 1,1038 1,1039 1,1040 4.182,1041 -0.797,1042 5.056,1043 -1.632,1044 3.664,1045 4.22,1046 1.176,1047 5.9,1048 3.577,1049 5.417,1050 -1.241,1051 6.648,1052 -2.286,1053 3.434,1054 4.182,1056 6.855,1057 3.284,1058 6.746,1059 -1.45,1060 8.336,1061 -3.192,1062 5.293,1063 6.407,1064 1.255,1065 9.964,1066 5.194,1067 8.108,1068 -1.786,1069 10.078,1070 -3.924,1071 5.832,1072 7.116,1074 11.743,1075 5.735,1076 9.5,1077 -1.906,1078 11.854,1079 -5.391,1080 7.241,1081 8.884,1082 1.338,1083 14.386,1084 7.164,1085 10.914,1086 -2,1087 13.655,1088 -6.275,1089 8.128,1090 9.94,1092 16.518,1093 8.073,1094 12.345,1096 15.474,1097 -6.872,1098 9.37,1099 11.521,1100 1.422,1101 18.99,1102 9.323,1103 3.163,1105 17.309,1107 10.41,1108 12.749,1110 21.264,1111 10.381,1112 2.348,1113 10.634,1114 19.156,1116 11.591,1117 14.245,1118 1.51,1119 23.67,1120 11.567,1121 1.91,1122 6.628,1123 21.013,1124 4.105,1125 12.696,1126 15.56,1128 25.999,1129 12.683,1130 1.628,1131 5.651,1132 22.878,1133 3.156,1134 13.855,1135 17.015,1136 1.599,1137 28.38,1138 13.846,1139 0.797,1140 4.7,1141 24.75,1142 2.554,1143 14.987,1144 18.375,1146 30.731,1147 14.984,1149 1.958,1150 26.626,1151 2.134,1152 16.14,1153 19.809,1154 1.69,1155 33.101,1156 16.14,1157 -0.667,1159 28.507,1160 1.164,1161 17.283,1162 21.193,1164 35.46,1165 17.287,1166 804,1167 1817,1168 8.266,1169 14.097,1170 20.24,1171 22.014,1172 21.182,1173 19.984,1174 19.694,1175 26.226,1176 2.117,1177 59.142,1178 18.497,1179 5.308,1180 5.885,1181 5.966,1182 5.164,1183 5.163,1184 7.105,1185 2.117,1186 17.506,1187 5.165,1188 6.1,1189 1.557,1190 1.693,1191 1.629,1192 1.537,1193 1.515,1194 2.017,1195 0.163,1196 4.549,1197 1.423,1198 3.997,1199 4.014,1200 10.695,1201 4.049,1202 7.499,1203 3.932,1204 3.439,1205 3.446,1206 3.932,1207 3.548,1208 7.352,1209 3.321,1210 2.937,1211 2.985,1212 3.317,1213 3.026,1214 4.701,1215 2.818,1216 2.609,1217 2.598,1218 2.812,1219 2.647,1220 3.915,1221 2.514,1222 2.497,1223 2.539,1224 2.443,1225 2.217,1226 3.615,1227 2.181,1228 1.909,1229 1.981,1230 2.374,1231 2.034,1232 3.036,1233 1.683,1234 1.493,1235 1.606,1236 1.599,1237 1.333,1238 2.244,1239 1.318,1240 1.357,1241 1.507,1242 0.882,1243 0.958,1244 2.178,1245 0.923,1246 0.346,1247 0.299,1248 0.512,1249 0.32,1250 0.243,1251 4.498,1252 0.316,1253 3.885,1254 0.081,1255 6.662,1256 0.818,1257 4.164,1258 0.243,1259 3.163,1260 4.105,1261 1.058,1262 10.634,1263 3.165,1264 1.875,1265 1.86,1266 1.919,1267 1.923,1268 1.092,1269 1.939,1270 1.367,1271 1.364,1272 1.426,1273 1.65,1274 0.349,1275 1.578,1276 0.941,1277 0.914,1278 1.079,1279 1.11,1280 0.176,1281 1.108,1282 0.777,1283 0.728,1284 0.943,1285 0.934,1286 0.013,1287 0.974,1288 0.006,1290 0.456,1291 0.413,1293 0.403,1296 0.071,1297 0.299,1299 0.228,1312 3.296,1314 4.635,1315 2.398,1316 6.168,1317 4.844,1318 7.786,1319 7.002,1320 9.451,1325 2.099,1329 2.483,1340 12.821,1341 30,1342 52.49,1343 59.245,1344 64,1345 64,1346 64,1347 17.808,1348 5.438,1349 49.93,1350 49.93,1351 11,1352 11.781,1353 3.17,1354 2.585,1355 17,1356 22,1357 18,1358 0.443,1359 90.457,1360 152,1361 212.475,1362 1086,1363 6.3,1364 8.715,1365 0.726,1366 0.674,1367 10.215,1368 8.084,1369 5.682,1370 0.437,1371 0.34,1372 3.357,1373 4.778,1374 3.237,1375 2.647,1376 6.548,1377 4.414,1378 5.414,1379 0.285,1380 0.196,1381 6.639,1382 3.719,1383 4.558,1384 0.182,1385 0.094,1386 5.344,1387 2.352,1388 3.538,1389 0.111,1390 0.05,1391 4.197,1392 1.606,1393 2.859,1394 0.077,1395 0.031,1396 3.791,1397 1.161,1398 0.619,1399 49.22,1400 0.348,1401 11.632,1402 1.442,1403 64,1404 235.452,1405 219.281,1406 266.275,1407 339.97,1408 244,1409 76,1410 209.836,1411 130.48,1412 226.79,1413 333.14,1414 213,1415 4}
{0 CHEMBL325502,1 1.403,2 11.871,3 5.319,4 28.288,5 120.881,6 6.862,7 0.353,8 4.18,9 4.298,10 3.681,11 3.746,12 5.199,13 3.703,14 4.764,15 4.945,16 4.054,17 4.164,18 5.742,19 4.093,20 5.033,21 5.258,22 4.15,23 4.301,24 6.015,25 4.211,26 5.094,27 5.319,28 4.128,29 4.284,30 6.141,31 4.205,32 5.032,33 5.234,34 4.102,35 4.297,36 6.092,37 4.209,38 5.113,39 5.342,40 3.998,41 4.325,42 6.07,43 4.194,44 5.107,45 5.369,46 3.81,47 4.265,48 5.933,49 4.089,50 5.026,51 5.313,52 3.634,53 4.142,54 5.758,55 3.942,56 0.028,57 0.831,58 13.439,59 6.126,60 7.814,61 8.178,62 0.336,63 1.413,64 25.831,65 10.355,66 31.774,67 14.285,68 0.263,69 1.783,70 34.61,71 12.993,72 40.53,73 18.488,74 0.456,75 1.824,76 38.045,77 12.693,78 69.589,79 17.709,80 0.358,81 1.732,82 34.943,83 12.842,84 62.571,85 17.509,86 0.365,87 1.83,88 38.131,89 14.514,90 64.118,91 20.066,92 0.313,93 1.774,94 38.149,95 15.071,96 55.266,97 21.247,98 0.233,99 1.632,100 35.241,101 13.98,102 42.03,103 20.21,104 26,105 48,106 0.227,107 0.512,108 0.702,109 0.811,110 0.832,111 0.838,112 3.472,113 0.993,114 -5.71,115 -5.58,116 -5.2,121 42.6,122 1,123 7,126 1,127 1,132 1,144 8,145 4,160 3,176 19,179 3,180 7,187 21,191 1,192 14,200 15,206 17,214 13,219 14,227 17,232 10,239 19,244 7,251 19,256 4,264 14,268 2,269 5,277 10,281 1553,282 21.283,283 21.283,284 21.283,285 21.283,286 21.283,287 19.505,288 16.402,289 12.582,290 21.568,291 16.639,292 16.639,293 16.639,294 16.639,295 16.639,296 13.751,297 18.81,298 5.759,299 16.97,300 4.527,301 2.76,302 1.582,303 0.91,304 0.779,305 0.746,306 4.166,311 1,312 1,313 790,314 3.808,317 181.954,318 213.21,325 1.715,326 30.081,329 0.75,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.89,337 66,338 368,339 4.716,340 4.199,341 7.718,342 4.567,343 3.593,344 4.115,345 2.021,346 14.285,347 3.497,348 4.451,349 3.676,350 6.656,351 4.094,352 3.095,353 3.936,354 1.674,355 10.671,356 3.088,357 3.977,358 3.067,359 6.217,360 3.667,361 2.7,362 3.507,363 1.358,364 9.137,365 2.618,366 3.722,367 2.891,368 5.679,369 3.463,370 2.485,371 2.893,372 0.69,373 7.486,374 2.412,375 3.541,376 2.835,377 5.287,378 3.192,379 2.205,380 2.751,381 0.239,382 6.653,383 2.169,384 3.225,385 2.574,386 5.127,387 2.825,388 1.833,389 2.472,391 5.358,392 1.81,393 3.142,394 1.969,395 4.5,396 2.719,397 1.724,398 2.219,400 4.305,401 1.707,402 2.656,403 1.614,404 4.021,405 2.384,406 1.389,407 1.709,409 3.049,410 1.379,411 2.571,412 1.47,413 3.771,414 2.317,415 1.336,416 1.568,418 2.803,419 1.306,420 2.5,421 1.461,422 3.642,423 2.169,424 1.182,425 1.5,427 2.633,428 1.163,429 2.475,430 1.327,431 3.618,432 2.086,433 1.104,434 1.451,436 2.6,437 1.075,438 2.392,439 1.262,440 3.566,441 2,442 1,443 1.382,445 2.275,446 1,447 1.874,448 1.116,449 3.414,450 1.618,451 0.618,452 0.641,454 1.464,455 0.618,456 1.618,457 1,458 3.2,459 1.555,460 0.54,461 0.618,463 1.298,464 0.542,465 1.477,466 0.618,467 2.942,468 1.176,469 0.23,470 0.264,472 0.345,473 0.211,474 14.8,475 0.477,476 0.682,477 0.022,478 35.75,479 1.153,480 16.5,481 0.532,482 19.25,483 0.621,484 30.763,485 0.992,486 33.8,487 0.554,488 27.965,489 0.902,490 6.58,491 0.212,492 8.496,493 0.274,494 0.113,495 0.034,496 0.264,501 0.655,502 1.291,503 0.841,504 1.147,505 0.532,506 1.038,507 0.679,508 1.075,509 0.878,510 0.984,511 0.534,512 0.96,513 0.753,514 1.128,515 0.874,516 1.032,517 0.731,518 0.968,519 1.525,520 0.947,521 1.078,522 0.88,523 1.584,524 0.901,525 1.38,526 1.055,527 1.137,528 1.037,529 1.339,530 1.047,531 1.128,532 1.041,533 1.143,534 1.081,535 1.115,536 1.108,537 0.775,538 1.022,539 1.035,540 1.071,541 0.868,542 1.089,543 0.471,544 1.031,545 0.921,546 1.057,547 0.559,548 1.052,549 6,550 0.239,551 4.222,552 2.861,553 1.774,554 1.226,555 0.691,556 0.343,557 0.295,558 0.261,559 12840,560 29375,561 2.077,562 49.2,563 11,564 13,568 2,569 4,572 1.737,573 1.948,574 3.491,575 -0.831,582 85.602,583 1.403,584 3.171,585 4.348,586 5.021,587 5.152,588 5.185,589 2.864,590 4.414,591 4.927,592 3.695,593 1718.35,594 8.608,595 24695.8,600 361.775,601 1.501,602 4.881,603 0.176,604 0.008,605 0.088,606 0.056,607 0.036,608 0.026,609 0.016,610 0.01,611 0.011,612 0.01,613 0.438,614 0.33,615 0.88,616 1.211,617 161.252,618 0.012,619 -0.121,620 0.06,621 -0.038,622 -0.002,623 0.007,624 0.183,625 0.029,626 0.073,627 0.049,628 0.083,629 0.042,630 0.066,631 -0.067,632 0.089,633 -0.041,634 0.082,635 0.018,636 -0.187,637 0.108,638 -0.052,639 0.064,640 -0.139,641 0.036,642 -0.172,643 -0.002,644 -0.141,645 -0.047,646 -0.066,647 -0.08,648 -0.132,649 -0.038,650 -0.166,651 -0.087,652 -0.065,653 -0.122,654 -0.042,655 -0.077,656 -0.08,657 -0.071,658 -0.052,659 -0.081,660 0.047,661 -0.103,662 0.018,663 -0.064,665 -0.034,666 2.013,667 6.309,668 0.677,669 31.326,670 0.993,671 1.122,672 4.481,673 20.082,674 0.656,675 3.555,676 3.892,677 4.22,678 4.5,679 4.7,680 4.762,681 4.868,682 4.956,683 5.011,684 5.1,685 7.134,686 0.616,687 418.58,688 3.555,689 5.106,690 5.979,691 6.878,692 7.776,693 8.686,694 9.592,695 10.506,696 11.418,697 12.334,698 3.3,705 1,707 1,715 8,720 4,722 12,732 1,741 61,743 15,744 2,745 34,747 64,748 26,749 12,750 4,751 8,752 1,756 4,757 4,763 1,767 4,768 1,770 7,772 15,773 11,774 1,777 3,782 2,785 1,786 3,793 30,794 5,796 5,802 2,804 1,808 0.75,809 3,828 2,829 2,844 1,859 3,864 2,868 31,876 8,878 1,881 1,882 1,893 4.9,896 2,898 1,901 15.917,902 11.567,903 7.014,904 4.147,907 2.797,908 1.359,909 0.958,910 6.456,911 10.577,912 3.784,913 4.317,914 4.883,915 5.402,916 5.89,917 6.082,918 6.448,919 6.789,920 7.121,921 7.399,922 0.875,923 51,924 11.575,926 4.969,927 0.026,929 7.675,931 22.495,933 18.929,936 2.175,937 67.417,941 353.133,942 142.332,943 19.91,945 61.29,948 142.332,949 414.423,950 19.91,951 19.708,952 22.972,953 75.81,954 64.514,955 40.528,957 353.133,959 353.133,960 162.242,961 61.29,964 306.049,965 108.374,968 48.582,969 113.659,972 353.133,973 81.2,974 142.332,977 353.133,978 46.814,979 98.643,981 78.075,982 353.133,983 81.2,984 142.332,986 0.574,987 0.354,988 0.197,989 0.108,990 23,991 10,992 0.125,993 8,995 1.048,996 4.155,997 283.69,999 22,1000 145.58,1005 21.615,1006 9.258,1007 4.259,1009 81.2,1010 15.522,1015 3.398,1018 576.665,1019 43,1024 25.415,1027 4.962,1028 0.783,1031 60.556,1032 68.438,1034 0.237,1035 0.535,1036 0.733,1037 0.847,1038 0.869,1039 0.874,1040 5.043,1041 1.389,1042 5.989,1043 4.305,1044 4.575,1045 5.004,1046 2.867,1047 6.887,1048 4.538,1049 6.241,1050 1.336,1051 7.606,1052 3.049,1053 4.29,1054 4.796,1055 1.912,1056 8.207,1057 4.229,1058 7.565,1059 1.182,1060 9.345,1061 2.803,1062 6.279,1063 7.123,1064 3.78,1065 11.319,1066 6.199,1067 8.931,1068 1.104,1069 11.161,1070 2.633,1071 6.899,1072 7.754,1073 3.412,1074 13.523,1075 6.793,1076 10.337,1077 1,1078 13.031,1079 2.6,1080 8.364,1081 9.559,1082 4.886,1083 16.256,1084 8.24,1085 11.769,1086 0.618,1087 14.937,1088 2.275,1089 9.363,1090 10.563,1091 4.859,1092 18.758,1093 9.211,1094 13.223,1095 0.54,1096 16.872,1097 1.464,1098 10.666,1099 12.157,1100 6.089,1101 21.415,1102 10.493,1103 3.593,1104 0.23,1105 18.827,1106 1.298,1107 11.818,1108 13.344,1109 6.291,1110 24.014,1111 11.617,1112 3.095,1113 14.285,1114 20.798,1115 0.345,1116 13.078,1117 14.839,1118 7.355,1119 26.662,1120 12.852,1121 2.7,1122 10.671,1123 22.782,1124 4.115,1125 14.293,1126 16.121,1127 7.714,1128 29.296,1129 14.039,1130 2.485,1131 9.137,1132 24.777,1133 3.936,1134 15.547,1135 17.568,1136 8.663,1137 31.946,1138 15.266,1139 2.205,1140 7.486,1141 26.779,1142 3.507,1143 16.789,1144 18.901,1145 9.132,1146 34.594,1147 16.48,1148 1.833,1149 6.653,1150 28.789,1151 2.893,1152 18.046,1153 20.323,1154 10.001,1155 37.248,1156 17.709,1157 1.724,1158 5.358,1159 30.804,1160 2.751,1161 19.302,1162 21.685,1163 10.545,1164 39.901,1165 18.935,1166 12355,1167 18862,1168 22.652,1169 40.034,1170 50.898,1171 52.708,1172 54.011,1173 50.387,1174 50.41,1175 62.435,1176 11.964,1177 149.264,1178 49.518,1179 5.697,1180 6.199,1181 7.578,1182 5.621,1183 5.593,1184 7.115,1185 3.695,1186 22.256,1187 5.497,1188 14.99,1189 1.497,1190 1.55,1191 1.589,1192 1.482,1193 1.483,1194 1.836,1195 0.352,1196 4.39,1197 1.456,1198 4.06,1199 4.093,1200 4.006,1201 3.988,1202 7.433,1203 3.987,1204 3.965,1205 3.995,1206 3.91,1207 3.85,1208 7.426,1209 3.858,1210 3.783,1211 3.813,1212 3.71,1213 3.714,1214 4.822,1215 3.708,1216 3.677,1217 3.744,1218 3.513,1219 3.551,1220 4.655,1221 3.532,1222 3.475,1223 3.543,1224 3.335,1225 3.288,1226 4.579,1227 3.293,1228 3.397,1229 3.419,1230 3.304,1231 3.112,1232 4.464,1233 3.153,1234 3.139,1235 3.22,1236 2.979,1237 2.998,1238 4.144,1239 2.985,1240 3.044,1241 3.096,1242 2.905,1243 2.871,1244 4.037,1245 2.866,1246 0.139,1247 0.124,1248 0.227,1249 0.134,1250 0.106,1251 4.716,1252 0.121,1253 4.199,1254 0.059,1255 7.718,1256 0.42,1257 4.567,1258 0.103,1259 3.593,1260 4.115,1261 2.021,1262 14.285,1263 3.497,1264 2.004,1265 1.986,1266 2.094,1267 2.07,1268 1.282,1269 2.078,1270 1.799,1271 1.77,1272 1.981,1273 1.922,1274 1.236,1275 1.938,1276 1.724,1277 1.664,1278 1.916,1279 1.875,1280 1.211,1281 1.892,1282 1.617,1283 1.578,1284 1.86,1285 1.777,1286 1.17,1287 1.793,1288 1.577,1289 1.507,1290 1.793,1291 1.751,1292 1.042,1293 1.782,1294 1.393,1295 1.325,1296 1.629,1297 1.623,1298 0.809,1299 1.623,1300 1.276,1301 1.242,1302 1.596,1303 1.596,1304 0.653,1305 1.589,1306 1.144,1307 1.071,1308 1.448,1309 1.357,1310 0.581,1311 1.397,1312 4.234,1314 5.565,1315 3.045,1316 7.102,1317 5.476,1318 8.736,1319 7.644,1320 10.422,1322 3.558,1328 7.445,1330 4.916,1333 1.915,1334 -0.498,1340 37.562,1341 85.602,1342 193.403,1343 265.246,1344 306.265,1345 314.265,1346 316.265,1347 64.588,1348 7.78,1349 58.97,1350 58.97,1351 22,1352 12.846,1353 4,1354 3.322,1355 49.474,1356 135,1357 122,1358 0.181,1359 229.828,1360 411.73,1361 552.542,1362 25656,1364 21.847,1365 0.705,1366 0.593,1367 21.847,1368 18.395,1369 15.076,1370 0.443,1371 0.331,1372 11.141,1373 14.649,1374 10.831,1375 9.023,1376 15.076,1377 11.251,1378 13.143,1379 0.274,1380 0.177,1381 13.143,1382 8.496,1383 11.762,1384 0.176,1385 0.096,1386 11.762,1387 6.421,1388 9.659,1389 0.109,1390 0.053,1391 9.659,1392 4.693,1393 7.777,1394 0.071,1395 0.029,1396 7.777,1397 3.115,1398 0.286,1399 93.642,1400 0.21,1401 29.067,1402 0.493,1403 164,1404 434.497,1405 176.607,1406 418.055,1407 573.93,1408 392,1409 197,1410 421.156,1411 210.553,1412 428.544,1413 634.56,1414 403,1415 6.619}
{0 CHEMBL32585,1 1.494,2 7.294,3 1.973,4 3.892,5 67.495,6 6.163,7 0.294,8 3.722,9 3.868,10 3.103,11 3.079,12 4.805,13 3.044,14 4.269,15 4.506,16 3.418,17 3.454,18 5.142,19 3.401,20 4.467,21 4.663,22 3.446,23 3.664,24 5.407,25 3.555,26 4.794,27 5.094,28 3.298,29 3.658,30 5.586,31 3.476,32 4.575,33 4.904,34 3.158,35 3.419,36 5.382,37 3.262,38 4.356,39 4.638,40 3.04,41 3.329,42 5.279,43 3.203,44 4.18,45 4.432,46 2.98,47 3.359,48 5.006,49 3.2,50 4.283,51 4.583,52 2.67,53 3.233,54 5.115,55 3.02,56 0.083,57 0.516,58 9.956,59 3.209,60 16.278,61 4.999,62 0.273,63 0.758,64 17.14,65 4.895,66 21.081,67 7.778,68 0.193,69 0.903,70 20.724,71 6.936,72 24.523,73 10.365,74 0.542,75 0.911,76 28.221,77 7.336,78 43.963,79 12.17,80 0.344,81 0.723,82 22.379,83 5.502,84 36.348,85 9.488,86 0.458,87 0.65,88 18.494,89 4.756,90 43.863,91 7.724,92 0.101,93 0.672,94 14.878,95 5.071,96 16.877,97 7.949,98 0.19,99 0.601,100 16.594,101 4.516,102 26.368,103 7.674,104 47,105 24,106 0.276,107 0.542,108 0.7,109 0.755,110 0.765,111 0.765,112 2.906,113 1.022,114 -2.54,115 -2.56,116 -2.5,121 30.8,122 4,125 1,126 1,128 1,129 1,147 1,153 1,157 1,163 1,172 1,176 3,180 2,182 2,187 4,191 1,192 3,194 1,200 3,205 1,209 1,213 1,216 2,218 1,229 3,232 2,235 1,244 5,256 3,261 2,274 3,281 317,282 10.602,283 10.602,284 10.602,285 10.602,286 10.602,287 9.581,288 14.196,289 6.163,290 11.014,291 8.294,292 8.294,293 8.294,294 8.294,295 8.294,296 6.98,297 20.831,298 2.78,299 8.9,300 3.792,301 2.354,302 1.501,303 1.2,304 1.149,305 1.149,306 3.521,311 1,312 1,313 237,314 3.808,317 54.064,325 1.135,326 10.867,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 37.5,338 124,339 4.402,340 3.632,341 7.053,342 4.27,343 3.286,344 4.086,345 1.697,346 11.339,347 3.235,348 4.28,349 3.4,350 6.47,351 3.938,352 3.02,353 3.284,354 1.041,355 10.002,356 2.768,357 3.174,358 3.077,359 4.962,360 2.826,361 1.938,362 2.338,364 5.474,365 1.717,366 3.041,367 2.322,368 4.38,369 2.483,370 1.55,371 2.128,373 4.099,374 1.446,375 2.583,376 1.823,377 4.098,378 2.41,379 1.484,380 1.586,382 3.561,383 1.36,384 2.361,385 1.45,386 3.181,387 1.819,388 0.863,389 1.221,391 1.618,392 0.823,393 1.566,394 0.882,395 3.058,396 1.39,397 0.485,398 0.513,400 1.035,401 0.435,402 0.916,403 0.593,404 2.382,405 0.76,406 -0.186,407 -0.2,409 -0.343,410 -0.175,411 0.424,412 -0.164,413 2,414 0.089,415 -0.84,416 -1,418 -1.559,419 -0.78,420 0.193,421 -0.713,422 2,424 -1,425 -1,427 -2.585,428 -0.896,430 -1,431 2,433 -1,434 -1,436 -3,437 -1,439 -1,440 1.828,441 -0.1,442 -1,443 -1.132,445 -3,446 -1,447 -0.189,448 -1.076,449 1.493,450 -0.458,451 -1.406,452 -1.505,454 -3.47,455 -1.288,456 -0.313,457 -1.455,458 1.385,459 -0.676,460 -1.625,461 -1.827,463 -4.614,464 -1.553,465 -0.517,466 -1.581,467 0.829,468 -0.8,469 -1.707,470 -2.249,472 -5.423,473 -1.568,474 7.867,475 0.463,476 0.642,477 0.038,478 15.5,479 0.912,480 4.5,481 0.265,482 11,483 0.647,484 16.798,485 0.988,486 21.233,487 0.544,488 10.08,489 0.593,490 3.112,491 0.183,492 4.746,493 0.279,494 0.36,495 0.064,496 0.229,501 0.856,502 1.893,503 1.004,504 1.559,505 0.917,506 1.341,507 1.063,508 0.912,509 0.867,510 0.793,511 0.542,512 0.783,513 1.027,514 1.497,515 1.279,516 1.63,517 0.747,518 1.523,519 1.021,520 0.979,521 0.99,522 0.978,523 0.693,524 0.991,525 0.856,526 0.776,527 0.757,528 0.746,529 0.735,530 0.722,531 1.434,532 0.618,533 1.072,534 0.597,535 1.637,536 0.754,537 0.546,538 1.408,539 1.085,540 1.398,541 0.543,542 1.338,543 0.803,544 1.201,545 1.216,546 1.273,547 0.888,548 1.291,549 5,551 2.889,552 1.292,553 0.65,554 0.524,555 0.449,556 0.341,557 0.074,559 1956,560 4648,561 1.794,562 56.4,563 9,564 4,565 3,566 2,567 1,569 3,572 1.57,573 1.606,574 2.876,575 -0.198,577 1,579 1,582 58.249,583 1.494,584 2.931,585 3.785,586 4.086,587 4.137,588 4.137,589 2.278,590 3.572,591 4.061,592 3.03,593 412.113,594 6.867,595 3831.54,597 1,599 1,600 206.131,601 1.792,602 3.94,603 0.294,605 0.12,606 0.059,607 0.038,608 0.033,609 0.03,610 0.024,611 0.009,613 0.608,614 0.67,615 1,616 1.978,617 70.814,618 0.106,619 -0.432,620 0.05,621 -0.219,622 0.013,623 -0.118,624 -0.004,625 0.277,626 0.171,627 0.278,628 0.072,629 0.26,630 -0.054,631 -0.235,632 -0.272,633 -0.399,634 -0.052,635 -0.38,636 0.05,637 -0.107,638 -0.019,639 -0.065,640 0.008,641 -0.062,642 0.053,643 0.066,644 0.194,645 0.104,646 0.145,647 0.174,648 -0.122,649 0.31,650 -0.044,651 0.315,652 -0.118,653 0.169,654 -0.034,655 -0.232,656 -0.167,657 -0.226,658 -0.05,659 -0.222,660 -0.109,661 -0.192,662 -0.283,663 -0.311,664 -0.081,665 -0.318,666 1.186,667 2.596,668 0.294,669 10.879,670 0.996,671 1.15,672 1.306,673 1.705,674 0.594,675 2.89,676 3.219,677 3.332,678 3.367,679 3.332,680 3.296,681 3.296,682 3.219,683 2.833,684 1.946,685 4.668,686 0.551,687 240.37,688 2.89,689 4.419,690 5.22,691 6.084,692 6.915,693 7.778,694 8.617,695 9.48,696 10.323,697 11.185,698 7.7,706 1,707 1,708 1,715 2,720 1,721 2,722 5,726 1,741 39,743 6,745 17,747 39,748 12,749 3,752 1,756 1,757 1,763 4,764 1,770 1,772 4,773 8,777 1,784 1,785 1,790 1,793 22,794 3,795 1,796 5,799 1,802 3,803 1,808 1,809 2,828 1,857 1,858 1,859 1,864 5,868 17,875 1,876 1,878 1,880 1,882 1,893 5.1,897 1,898 1,901 10.583,902 8.35,903 3.806,904 2.194,907 1.185,908 1.215,909 0.84,910 4.714,911 6.694,912 3.068,913 3.59,914 3.996,915 4.429,916 4.503,917 4.547,918 4.655,919 4.658,920 4.393,921 3.841,922 0.8,923 22,924 6.227,926 2.395,927 0.026,929 7.75,931 11.943,933 9.048,936 2.25,937 38.25,938 0.002,941 247.193,942 77.331,943 17.046,945 53.806,948 77.331,949 300.999,950 17.046,951 43.697,952 4.164,953 9.047,954 47.817,955 67,956 35.313,957 188.338,959 247.193,960 94.377,961 53.806,964 211.88,965 78.119,966 11,968 65.986,969 17.444,970 10.947,972 247.193,973 70.851,974 77.331,977 247.193,978 6.491,979 74.638,981 67.053,982 247.193,983 70.851,984 77.331,986 0.589,987 0.326,988 0.14,989 0.068,990 10,991 6,992 0.128,993 5,995 1,996 2.771,997 105.679,999 5,1000 62.732,1005 14.192,1006 5.646,1007 3.82,1009 67.053,1010 3.786,1015 0.786,1016 3.757,1017 42.806,1018 395.375,1019 20.5,1026 1.394,1027 3.053,1031 38.854,1032 44.858,1034 0.283,1035 0.555,1036 0.716,1037 0.773,1038 0.783,1039 0.783,1040 4.321,1041 -0.186,1042 5.293,1043 1.035,1044 3.892,1045 4.27,1046 2.189,1047 6.151,1048 3.763,1049 5.556,1050 -0.84,1051 6.917,1052 -0.343,1053 3.892,1054 4.27,1056 7.496,1057 3.771,1058 6.89,1059 -1,1060 8.661,1061 -1.559,1062 5.624,1063 6.392,1064 2.993,1065 10.413,1066 5.408,1067 8.261,1068 -1,1069 10.474,1070 -2.585,1071 6.382,1072 7.176,1074 12.475,1075 6.184,1076 9.663,1077 -1,1078 12.326,1079 -3,1080 7.722,1081 8.858,1082 3.938,1083 15.028,1084 7.458,1085 11.085,1086 -1.406,1087 14.204,1088 -3,1089 8.746,1090 9.982,1092 17.313,1093 8.488,1094 12.522,1095 -1.625,1096 16.098,1097 -3.47,1098 9.968,1099 11.493,1100 4.951,1101 19.762,1102 9.668,1103 3.286,1104 -1.707,1105 18.003,1106 -4.614,1107 11.084,1108 12.769,1110 22.123,1111 10.779,1112 3.02,1113 11.339,1114 19.917,1115 -5.423,1116 12.269,1117 14.212,1118 5.992,1119 24.541,1120 11.937,1121 1.938,1122 10.002,1123 21.836,1124 4.086,1125 13.418,1126 15.557,1128 26.931,1129 13.077,1130 1.55,1131 5.474,1132 23.76,1133 3.284,1134 14.592,1135 16.974,1136 7.044,1137 29.342,1138 14.232,1139 1.484,1140 4.099,1141 25.687,1142 2.338,1143 15.755,1144 18.35,1146 31.744,1147 15.384,1148 0.863,1149 3.561,1150 27.617,1151 2.128,1152 16.927,1153 19.758,1154 8.099,1155 34.155,1156 16.542,1157 0.485,1158 1.618,1159 29.549,1160 1.586,1161 18.095,1162 21.149,1164 36.565,1165 17.701,1166 2192,1167 3488,1168 9.94,1169 23.159,1170 25.932,1171 28.125,1172 26.876,1173 25.176,1174 25.253,1175 30.314,1176 5.476,1177 74.255,1178 23.566,1179 5.293,1180 5.477,1181 6.812,1182 5.364,1183 5.257,1184 6.794,1185 3.394,1186 18.043,1187 5.032,1188 11.788,1189 1.525,1190 1.654,1191 1.581,1192 1.481,1193 1.485,1194 1.783,1195 0.322,1196 4.368,1197 1.386,1198 4.031,1199 4.094,1200 3.982,1201 3.813,1202 6.546,1203 3.847,1204 3.799,1205 3.852,1206 3.67,1207 3.674,1208 4.868,1209 3.665,1210 3.32,1211 3.397,1212 3.178,1213 3.072,1214 4.56,1215 3.07,1216 3.25,1217 3.316,1218 3.125,1219 2.953,1220 4.172,1221 2.988,1222 3.146,1223 3.254,1224 2.899,1225 2.905,1226 4.039,1227 2.891,1228 2.874,1229 3.009,1230 2.6,1231 2.635,1232 3.797,1233 2.613,1234 2.874,1235 3.009,1236 2.499,1237 2.618,1238 3.63,1239 2.57,1240 2.872,1241 2.968,1242 2.499,1243 2.618,1244 3.467,1245 2.57,1246 0.259,1247 0.214,1248 0.415,1249 0.251,1250 0.193,1251 4.402,1252 0.24,1253 3.632,1254 0.1,1255 7.053,1256 0.667,1257 4.27,1258 0.19,1259 3.286,1260 4.086,1261 1.697,1262 11.339,1263 3.235,1264 1.807,1265 1.758,1266 2.031,1267 1.983,1268 1.292,1269 1.995,1270 1.637,1271 1.571,1272 1.796,1273 1.889,1274 0.928,1275 1.867,1276 1.537,1277 1.47,1278 1.729,1279 1.77,1280 0.833,1281 1.766,1282 1.261,1283 1.175,1284 1.622,1285 1.52,1286 0.73,1287 1.556,1288 1.052,1289 0.967,1290 1.417,1291 1.411,1292 0.469,1293 1.383,1294 0.934,1295 0.804,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.934,1301 0.804,1302 1.344,1303 1.239,1304 0.359,1305 1.308,1306 0.884,1307 0.79,1308 1.255,1309 1.165,1310 0.314,1311 1.206,1312 3.555,1314 4.875,1315 2.398,1316 6.365,1317 4.727,1318 7.927,1319 6.783,1320 9.526,1322 10.375,1327 8.596,1328 0.445,1330 5.799,1332 0.147,1334 0.112,1340 21.498,1341 58.249,1342 114.317,1343 147.601,1344 159.337,1345 161.337,1346 161.337,1347 32.567,1348 5.509,1349 50.63,1350 50.63,1351 5,1352 11.738,1353 2.807,1354 2.17,1355 38.079,1356 47,1357 43,1358 0.414,1359 139.542,1360 236.88,1361 332.243,1362 1218,1364 13.052,1365 0.768,1366 0.663,1367 13.052,1368 11.266,1369 7.858,1370 0.462,1371 0.341,1372 5.667,1373 7.358,1374 5.296,1375 4.57,1376 7.858,1377 5.792,1378 7.612,1379 0.317,1380 0.225,1381 7.612,1382 5.401,1383 5.4,1384 0.2,1385 0.115,1386 5.4,1387 3.097,1388 3.479,1389 0.124,1390 0.05,1391 3.479,1392 1.409,1393 2.378,1394 0.088,1395 0.028,1396 2.378,1397 0.763,1398 0.633,1399 50.604,1400 0.317,1401 17.134,1402 1.167,1403 82,1404 233.508,1405 92.699,1406 221.174,1407 290.96,1408 204,1409 92,1410 210.769,1411 104.005,1412 213.915,1413 297.73,1414 194,1415 4.939}
{0 CHEMBL326294,1 1.649,2 4.182,3 0.671,4 0.45,5 38.694,6 9.196,7 0.5,8 2.936,9 3.015,10 2.669,11 2.559,12 4.251,13 2.58,14 3.382,15 3.47,16 3.039,17 2.909,18 4.775,19 2.923,20 3.562,21 3.697,22 3.007,23 2.832,24 5.219,25 2.844,26 3.304,27 3.485,28 2.466,29 2.443,30 4.719,31 2.419,32 2.862,33 3.056,34 1.775,35 1.658,36 4.425,37 1.679,38 1.729,39 1.923,40 0.295,41 0.509,42 3.135,43 0.491,56 0.06,57 0.218,58 1.804,59 1.261,60 9.098,61 1.186,62 0.119,63 0.337,64 3.053,65 2.089,66 16.854,67 2.106,68 0.278,69 0.381,70 5.62,71 2.604,72 52.317,73 2.758,74 0.177,75 0.291,76 5.099,77 2.088,78 28.584,79 2.195,80 0.184,81 0.162,82 4.248,83 1.317,84 35.24,85 1.164,86 0.089,87 0.039,88 1.623,89 0.373,90 19.51,91 0.213,104 5,105 17,106 0.37,107 0.645,108 0.757,109 0.869,110 0.897,111 0.897,112 2.53,113 0.809,114 -2.2,115 -2.25,116 -2.22,121 50,144 4,145 1,146 1,159 1,160 1,176 4,180 1,183 1,185 2,187 4,191 1,192 2,195 1,197 2,200 2,206 4,211 1,219 3,281 67,282 7.345,283 7.345,284 7.345,285 7.345,286 7.345,287 6.41,288 8.006,289 4.281,290 7.35,291 5.895,292 5.895,293 5.895,294 5.895,295 5.895,296 4.392,297 11.649,298 2.01,299 5.875,300 2.351,301 1.125,302 0.625,303 0.125,306 3.148,312 1,313 96,314 1.414,317 17.166,318 21.524,321 32.78,325 0.595,326 15.51,329 1,330 0.67,331 0.83,332 0.4,334 1,335 1,336 0.7,337 24.5,338 46,339 4.476,340 3.883,341 6.649,342 4.152,343 3.145,344 4.054,345 1.058,346 10.572,347 3.164,348 3.595,349 2.898,350 5.386,351 3.161,352 2.133,353 2.945,355 6.339,356 2.179,357 3.046,358 2.605,359 4.732,360 2.674,361 1.683,362 2.17,364 4.873,365 1.659,366 2.839,367 1.538,368 3.611,369 2.359,370 1.354,371 1.97,373 2.935,374 1.358,375 2.366,376 1.311,377 3.364,378 1.802,379 0.759,380 1.131,382 1.797,383 0.783,384 1.277,385 0.527,386 2.383,387 0.821,388 -0.235,389 -0.346,391 -0.536,392 -0.246,393 0.701,394 -0.019,395 2,396 0.23,397 -0.793,398 -1.093,400 -1.916,401 -0.802,402 0.495,403 -0.827,404 2,405 0.017,406 -1,407 -1.444,409 -2.433,410 -1.01,411 0.085,412 -1.012,413 1.268,414 -0.3,415 -1.377,416 -2,418 -3.696,419 -1.497,420 -0.5,421 -1.511,422 1.262,423 -0.783,424 -1.786,425 -2.167,427 -5.032,428 -1.745,429 -0.579,430 -1.795,431 1.027,432 -0.934,433 -1.884,434 -2.22,436 -6.037,437 -1.844,438 -0.802,439 -2,440 0.319,441 -1,442 -2,443 -3,444 -1.058,445 -6.866,446 -2,474 5.067,475 0.461,476 0.298,477 0.027,478 16.5,479 1.5,480 9.5,481 0.864,482 7,483 0.636,484 4.403,485 0.4,486 11.133,487 0.696,488 9.044,489 0.822,490 3.421,491 0.311,492 1.867,493 0.17,494 0.132,496 0.395,501 0.601,502 0.977,503 0.594,504 0.806,505 0.523,506 0.711,507 0.533,508 1.161,509 0.688,510 1.064,511 0.588,512 0.972,513 0.728,514 1.042,515 0.876,516 1.069,517 0.764,518 1.038,519 1.102,520 1.074,521 1.205,522 1.175,523 1.009,524 1.204,525 2.038,526 0.79,527 1.555,528 0.927,529 2.047,530 1.039,531 3.488,533 2.458,534 0.023,535 3.708,536 0.686,549 2,551 1.556,552 1.264,553 0.297,554 0.142,559 589,560 2226,561 2.043,562 31.3,564 4,567 1,572 1.433,573 1.886,574 2.214,575 -0.119,582 26.39,583 1.649,584 2.875,585 3.375,586 3.875,587 4,588 4,589 1.495,590 3.096,591 3.439,592 2.147,593 118.11,594 5.629,595 776.824,600 64,601 1.495,602 3.376,603 0.167,605 0.092,606 0.084,607 0.037,608 0.047,613 0.427,614 1,615 1,616 0.762,617 35.288,618 -0.073,619 0.042,620 -0.005,621 0.069,622 -0.057,623 0.068,624 0.09,625 -0.187,626 -0.023,627 -0.182,628 -0.008,629 -0.164,630 0.223,631 -0.111,632 0.066,633 -0.14,634 0.185,635 -0.108,636 -0.165,637 -0.165,638 -0.131,639 -0.219,640 -0.076,641 -0.171,642 -0.494,643 0.057,644 -0.199,645 0.086,646 -0.402,647 0.062,648 -1.203,649 0.798,650 -0.779,651 1.102,652 -1.196,653 0.511,666 2.203,667 3.984,668 0.818,669 3.752,670 1.033,671 1.109,672 0.974,673 0.948,674 0.715,675 2.565,676 2.89,677 3.178,678 3.401,679 3.466,680 3.219,681 3.091,682 2.944,683 1.792,684 0.693,685 2.757,686 0.719,687 147.14,688 2.565,689 4.078,690 4.934,691 5.814,692 6.691,693 7.575,694 8.456,695 9.341,696 10.223,697 11.108,698 6.3,705 1,715 4,720 2,722 6,727 1,741 16,743 8,744 1,745 12,747 17,748 8,749 6,750 2,751 4,752 2,756 2,757 3,772 8,777 2,782 2,786 2,793 5,794 3,795 1,796 3,802 1,808 0.5,809 2,828 1,829 1,832 1,843 1,859 1,868 11,877 1,893 12.5,896 2,901 5.833,902 2.917,903 2.417,904 0.896,907 1.544,908 1.293,909 1.003,910 1.141,911 6.806,912 2.89,913 3.45,914 4.021,915 4.498,916 4.933,917 4.899,918 5.057,919 5.124,920 4.343,921 3.446,922 0.667,923 15,924 4.045,925 -0.011,926 1.789,927 0.026,929 8.333,931 7.315,932 -0.005,933 5.961,934 0.004,936 2.833,937 31.167,938 0.008,941 47.084,942 53.685,943 18.011,945 50.29,948 53.685,949 97.374,950 18.011,952 18.011,953 37.905,954 60.128,955 5.942,957 47.084,959 47.084,960 71.696,961 50.29,964 47.084,965 50.29,968 18.011,969 53.685,972 47.084,973 68.301,974 53.685,977 47.084,978 15.78,979 37.905,980 18.011,981 50.29,982 47.084,983 68.301,984 53.685,986 0.588,987 0.361,988 0.192,989 0.095,990 10,991 4,994 1,995 1.222,996 2.276,997 63.857,998 0.222,999 9,1000 38.054,1005 6.256,1006 2.007,1007 0.785,1009 68.301,1010 6.85,1015 1.083,1017 18.011,1018 169.07,1019 17,1024 21.755,1028 -0.98,1031 16.524,1032 17.748,1034 0.412,1035 0.719,1036 0.844,1037 0.969,1038 1,1039 1,1040 4.103,1041 -1,1042 4.934,1043 -1.916,1044 3.555,1045 4.127,1046 1.176,1047 5.771,1048 3.566,1049 5.314,1050 -1.377,1051 6.518,1052 -2.433,1053 3.219,1054 3.951,1056 6.735,1057 3.261,1058 6.627,1059 -1.786,1060 8.207,1061 -3.696,1062 5.165,1063 6.281,1064 1.255,1065 9.862,1066 5.184,1067 7.98,1068 -1.884,1069 9.957,1070 -5.032,1071 5.673,1072 6.92,1074 11.678,1075 5.725,1076 9.368,1077 -2,1078 11.744,1079 -6.037,1080 7.124,1081 8.745,1082 1.338,1083 14.315,1084 7.157,1085 10.781,1087 13.558,1088 -6.866,1089 8.01,1090 9.766,1092 16.464,1093 8.067,1094 12.214,1096 15.39,1098 9.269,1099 11.376,1100 1.422,1101 18.929,1102 9.318,1103 3.145,1105 17.235,1107 10.313,1108 12.582,1110 21.207,1111 10.376,1112 2.133,1113 10.572,1114 19.092,1116 11.5,1117 14.09,1118 1.51,1119 23.606,1120 11.562,1121 1.683,1122 6.339,1123 20.956,1124 4.054,1125 12.606,1126 15.388,1128 25.933,1129 12.678,1130 1.354,1131 4.873,1132 22.827,1133 2.945,1134 13.767,1135 16.845,1136 1.599,1137 28.308,1138 13.842,1139 0.759,1140 2.935,1141 24.703,1142 2.17,1143 14.897,1144 18.19,1146 30.654,1147 14.979,1148 -0.235,1149 1.797,1150 26.582,1151 1.97,1152 16.049,1153 19.621,1154 1.69,1155 33.019,1156 16.135,1157 -0.793,1158 -0.536,1159 28.465,1160 1.131,1161 17.188,1162 20.991,1164 35.372,1165 17.281,1166 642,1167 1299,1168 7.86,1169 11.438,1170 18.478,1171 19.926,1172 19.151,1173 18.131,1174 18.148,1175 24.541,1176 2.117,1177 53.033,1178 18.287,1179 5.278,1180 5.883,1181 6.33,1182 5.152,1183 5.145,1184 7.054,1185 2.117,1186 17.438,1187 5.164,1188 4.565,1189 1.54,1190 1.66,1191 1.596,1192 1.511,1193 1.512,1194 2.045,1195 0.176,1196 4.419,1197 1.524,1198 3.997,1199 4.017,1200 3.96,1201 3.904,1202 7.499,1203 3.913,1204 3.437,1205 3.454,1206 3.381,1207 3.245,1208 7.352,1209 3.278,1210 2.936,1211 2.99,1212 2.835,1213 2.776,1214 4.728,1215 2.775,1216 2.605,1217 2.613,1218 2.545,1219 2.417,1220 3.928,1221 2.443,1222 2.497,1223 2.542,1224 2.38,1225 2.093,1226 3.615,1227 2.17,1228 1.906,1229 1.99,1230 1.655,1231 1.381,1232 2.983,1233 1.43,1234 1.472,1235 1.687,1236 0.888,1237 1.042,1238 2.201,1239 0.967,1240 1.355,1241 1.516,1242 0.823,1243 0.942,1244 1.758,1245 0.901,1246 0.373,1247 0.324,1248 0.554,1249 0.346,1250 0.262,1251 4.476,1252 0.338,1253 3.883,1254 0.088,1255 6.649,1256 0.881,1257 4.152,1258 0.264,1259 3.145,1260 4.054,1261 1.058,1262 10.572,1263 3.164,1264 1.876,1265 1.854,1266 1.981,1267 1.957,1268 1.074,1269 1.966,1270 1.367,1271 1.364,1272 1.427,1273 1.65,1274 0.349,1275 1.578,1276 0.945,1277 0.896,1278 1.124,1279 1.165,1280 0.201,1281 1.152,1282 0.779,1283 0.723,1284 1.055,1285 0.978,1286 0.026,1287 1.011,1288 0.009,1290 0.485,1291 0.441,1293 0.44,1296 0.3,1297 0.329,1299 0.235,1302 0.069,1303 0.038,1305 0.136,1312 3.219,1314 4.533,1315 2.398,1316 6.057,1317 4.844,1318 7.669,1319 7.002,1320 9.325,1329 2.459,1340 11.505,1341 26.39,1342 46,1343 54,1344 62,1345 64,1346 64,1347 15.166,1348 5.263,1349 49.93,1350 49.93,1351 11,1352 11.64,1353 3.17,1354 2.585,1355 15.049,1356 19,1357 13,1358 0.469,1359 72.872,1360 126.72,1361 169.568,1362 876,1364 7.845,1365 0.713,1366 0.511,1367 7.845,1368 5.626,1369 5.288,1370 0.441,1371 0.27,1372 3.191,1373 5.097,1374 3.144,1375 2.597,1376 5.288,1377 3.236,1378 4.78,1379 0.281,1380 0.137,1381 4.78,1382 2.329,1383 4.215,1384 0.183,1385 0.071,1386 4.215,1387 1.626,1388 3.335,1389 0.115,1390 0.038,1391 3.335,1392 1.092,1393 2.483,1394 0.08,1395 0.021,1396 2.483,1397 0.64,1398 0.644,1399 33.289,1400 0.357,1401 10.614,1402 1.569,1403 58,1404 213.804,1405 64.372,1406 204.118,1407 268.6,1408 188,1409 69,1410 188.526,1411 75.649,1412 190.141,1413 279.57,1414 179,1415 4}
{0 CHEMBL32653,1 1.413,2 9.762,3 3.221,4 10.374,5 83.801,6 6.41,7 0.261,8 3.882,9 4.015,10 3.327,11 3.384,12 4.814,13 3.339,14 4.493,15 4.696,16 3.695,17 3.813,18 5.42,19 3.733,20 4.766,21 5.016,22 3.682,23 3.952,24 5.542,25 3.832,26 4.761,27 5.005,28 3.597,29 3.917,30 5.604,31 3.777,32 4.754,33 5.033,34 3.468,35 3.761,36 5.615,37 3.618,38 4.484,39 4.731,40 3.266,41 3.543,42 5.388,43 3.422,44 4.265,45 4.495,46 3.163,47 3.435,48 5.162,49 3.307,50 4.294,51 4.554,52 2.979,53 3.314,54 5.229,55 3.166,56 0.038,57 0.641,58 10.961,59 4.387,60 5.499,61 6.249,62 0.347,63 1.061,64 20.826,65 7.352,66 29.649,67 10.903,68 0.26,69 1.267,70 27.201,71 9.411,72 23.444,73 13.975,74 0.222,75 1.22,76 26.965,77 9.805,78 29.959,79 14.209,80 0.293,81 1.104,82 27.147,83 8.841,84 39.455,85 13.107,86 0.354,87 0.842,88 21.064,89 6.78,90 33.389,91 9.693,92 0.125,93 0.752,94 16.373,95 5.843,96 16.163,97 8.517,98 0.305,99 0.711,100 17.346,101 5.35,102 31.488,103 7.939,104 18,105 32,106 0.249,107 0.55,108 0.789,109 0.884,110 0.884,111 0.884,112 3.103,113 1.05,114 -3.71,115 -3.67,116 -3.49,121 37.8,122 2,123 3,124 1,127 3,129 1,144 3,145 2,146 1,161 1,176 8,179 1,180 6,183 2,185 1,187 10,192 4,197 1,200 8,206 8,211 2,214 5,219 7,224 2,227 3,231 1,232 2,237 2,239 4,244 2,249 2,251 5,255 1,256 1,259 1,264 4,277 4,281 533,282 14.464,283 14.464,284 14.464,285 14.464,286 14.464,287 13.61,288 21.27,289 8.63,290 14.783,291 11.279,292 11.279,293 11.279,294 11.279,295 11.279,296 9.881,297 25.418,298 3.989,299 11.744,300 4.078,301 2.371,302 1.017,303 0.478,304 0.478,305 0.478,306 3.784,310 1,311 1,312 1,313 437,314 3.317,317 75.703,318 44.779,320 61.594,321 66.101,324 93.246,325 1.51,326 15.613,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 45,338 205,339 4.469,340 3.669,341 6.875,342 4.267,343 3.284,344 4.007,345 2.186,346 11.519,347 3.232,348 3.907,349 3.517,350 6.012,351 3.624,352 2.681,353 3.141,354 0.8,355 8.537,356 2.527,357 3.652,358 2.857,359 5.431,360 3.36,361 2.418,362 2.798,363 0.366,364 7.161,365 2.252,366 3.326,367 2.497,368 5.12,369 2.971,370 2.007,371 2.515,373 5.785,374 1.92,375 3.048,376 2.134,377 4.794,378 2.84,379 1.851,380 2.168,382 5.411,383 1.829,384 2.466,385 1.691,386 4.436,387 2.364,388 1.387,389 1.462,391 3.898,392 1.349,393 2.44,394 1.488,395 3.791,396 2.286,397 1.307,398 1.421,400 2.729,401 1.274,402 2.26,403 1.129,404 3.383,405 2.076,406 1.084,407 1.237,409 2.502,410 1.075,411 1.67,412 0.887,413 3.132,414 1.535,415 0.555,416 0.603,418 1.197,419 0.542,420 1.352,421 0.677,422 2.771,423 1.235,424 0.293,425 0.304,427 0.497,428 0.274,429 1.282,430 0.542,431 2.587,432 1.107,433 0.126,434 0.135,436 0.205,437 0.123,438 0.956,439 0.251,440 2.375,441 0.668,442 -0.304,443 -0.357,445 -0.717,446 -0.291,447 0.598,448 -0.34,449 2.202,450 0.171,451 -0.825,452 -0.99,454 -1.8,455 -0.818,456 0.44,457 -0.663,458 2,459 0.104,460 -0.889,461 -1.075,463 -2.175,464 -0.863,465 0.136,466 -0.761,467 1.942,468 0.008,469 -1,470 -1.184,472 -2.597,473 -1.023,474 9.967,475 0.475,476 0.448,477 0.021,478 21.5,479 1.024,480 8,481 0.381,482 13.5,483 0.643,484 19.813,485 0.943,486 24.233,487 0.539,488 13.256,489 0.631,490 3.781,491 0.18,492 6.443,493 0.307,494 0.134,496 0.341,501 0.785,502 1.466,503 0.922,504 1.264,505 0.583,506 1.128,507 0.625,508 1.093,509 0.933,510 1.029,511 0.384,512 1.011,513 1.012,514 0.965,515 0.989,516 0.957,517 0.684,518 0.959,519 0.992,520 1.158,521 1.051,522 1.173,523 0.954,524 1.132,525 1.223,526 0.958,527 0.93,528 0.941,529 1.265,530 0.907,531 1.759,532 0.845,533 1.13,534 0.865,535 1.694,536 0.924,537 1.039,538 1.322,539 1.092,540 1.279,541 1.274,542 1.21,543 1.469,544 0.929,545 1.214,546 0.993,547 2.008,548 1.063,549 4,550 0.057,551 2.222,552 1.576,553 1.103,554 0.49,555 0.375,556 0.26,557 0.176,558 0.105,559 4266,560 8595,561 2.074,562 53.3,563 3,564 10,567 1,569 10,572 1.63,573 1.938,574 3.244,575 -0.338,576 1,577 1,579 1,582 63.607,583 1.413,584 3.121,585 4.475,586 5.014,587 5.014,588 5.014,589 2.743,590 4.202,591 4.355,592 3.354,593 704.423,594 7.458,595 7390.58,597 1,599 1,600 247.133,601 1.418,602 4.322,603 0.174,604 0.007,605 0.069,606 0.051,607 0.041,608 0.021,609 0.02,610 0.015,611 0.014,612 0.011,613 0.422,614 0.67,615 1,616 1.77,617 94.971,619 -0.168,620 0.067,621 -0.062,622 -0.006,623 0.001,624 0.294,625 0.078,626 0.064,627 0.035,628 0.241,629 0.024,630 -0.087,631 0.08,632 -0.008,633 0.046,634 -0.004,635 0.036,636 -0.049,637 -0.155,638 -0.08,639 -0.146,640 -0.005,641 -0.121,642 -0.048,643 -0.046,644 0.066,646 -0.013,647 0.042,648 -0.154,649 0.086,650 -0.082,651 0.09,652 -0.2,653 0.018,654 -0.044,655 -0.296,656 -0.111,657 -0.245,658 -0.112,659 -0.197,660 -0.064,661 0.041,662 -0.183,663 -0.07,664 -0.194,665 -0.137,666 2.02,667 4.656,668 0.571,669 18.091,670 0.991,671 1.133,672 2.475,673 6.126,674 0.629,675 3.178,676 3.497,677 3.807,678 4.127,679 4.331,680 4.489,681 4.663,682 4.736,683 4.727,684 4.736,685 5.493,686 0.584,687 288.43,688 3.178,689 4.71,690 5.572,691 6.466,692 7.358,693 8.266,694 9.173,695 10.088,696 11.002,697 11.922,698 4.4,701 1,705 1,715 3,720 3,722 6,737 1,741 45,743 7,744 1,745 23,747 47,748 17,749 6,750 3,751 3,756 3,757 6,763 2,767 3,768 1,770 4,772 7,773 10,774 1,777 1,782 1,786 1,789 1,790 1,793 24,794 4,795 1,796 4,802 2,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 2,868 21,876 6,877 1,878 1,880 2,881 1,893 4.4,896 1,898 1,901 10.833,902 8.45,903 4.778,904 3.239,907 1.311,908 1.188,909 0.95,910 4.388,911 8.304,912 3.332,913 3.818,914 4.294,915 4.823,916 5.301,917 5.554,918 5.906,919 6.182,920 6.216,921 6.316,922 0.857,923 31,924 7.822,926 3.289,927 0.026,929 7.563,931 15.517,933 13.141,936 2.063,937 43.333,938 0.001,941 270.735,942 78.377,943 21.135,945 36.145,948 78.377,949 306.88,950 21.135,951 17.65,952 31.931,953 28.429,954 25.145,955 25.739,956 6.763,957 270.735,959 270.735,960 99.512,961 36.145,964 153.024,965 153.856,968 52.706,969 46.806,972 270.735,973 57.28,974 78.377,977 270.735,978 32.298,979 49.203,980 18.011,981 36.145,982 270.735,983 57.28,984 78.377,986 0.568,987 0.338,988 0.19,989 0.104,990 16,991 7,992 0.106,993 5,994 2,995 1.333,996 3.36,997 160.978,998 0.333,999 12,1000 92.239,1005 14.705,1006 6.266,1007 2.889,1009 57.28,1010 6.121,1015 3.471,1017 18.011,1018 406.392,1019 27,1024 11.656,1028 -0.354,1031 44.578,1032 50.983,1034 0.257,1035 0.568,1036 0.815,1037 0.913,1038 0.913,1039 0.913,1040 4.59,1041 1.084,1042 5.557,1043 2.729,1044 4.174,1045 4.5,1046 2.351,1047 6.399,1048 4.102,1049 5.744,1050 0.555,1051 7.128,1052 2.502,1053 3.761,1054 4.27,1055 1.847,1056 7.357,1057 3.657,1058 7.035,1059 0.293,1060 8.803,1061 1.197,1062 5.784,1063 6.517,1064 3.504,1065 10.497,1066 5.646,1067 8.36,1068 0.126,1069 10.538,1070 0.497,1071 6.236,1072 7.108,1073 3.598,1074 12.334,1075 6.08,1076 9.721,1077 -0.304,1078 12.314,1079 0.205,1080 7.716,1081 8.87,1082 4.907,1083 14.996,1084 7.536,1085 11.106,1086 -0.825,1087 14.12,1088 -0.717,1089 8.569,1090 9.838,1091 5.29,1092 17.196,1093 8.381,1094 12.51,1095 -0.889,1096 15.948,1097 -1.8,1098 9.846,1099 11.411,1100 6.387,1101 19.706,1102 9.642,1103 3.284,1104 -1,1105 17.793,1106 -2.175,1107 10.882,1108 12.57,1109 6.93,1110 22.052,1111 10.673,1112 2.681,1113 11.519,1114 19.652,1115 -2.597,1116 12.088,1117 14.054,1118 7.902,1119 24.514,1120 11.866,1121 2.418,1122 8.537,1123 21.523,1124 4.007,1125 13.205,1126 15.316,1127 8.539,1128 26.917,1129 12.977,1130 2.007,1131 7.161,1132 23.403,1133 3.141,1134 14.389,1135 16.756,1136 9.436,1137 29.365,1138 14.15,1139 1.851,1140 5.785,1141 25.291,1142 2.798,1143 15.543,1144 18.073,1145 10.13,1146 31.791,1147 15.295,1148 1.387,1149 5.411,1150 27.186,1151 2.515,1152 16.723,1153 19.49,1154 10.981,1155 34.235,1156 16.464,1157 1.307,1158 3.898,1159 29.085,1160 2.168,1161 17.893,1162 20.838,1163 11.71,1164 36.671,1165 17.623,1166 4264,1167 6154,1168 15.315,1169 28.296,1170 33.918,1171 35.021,1172 35.864,1173 34,1174 33.986,1175 39.579,1176 6.705,1177 98.881,1178 32.792,1179 5.431,1180 5.669,1181 6.74,1182 5.336,1183 5.284,1184 7.007,1185 3.889,1186 18.863,1187 5.232,1188 10.105,1189 1.475,1190 1.523,1191 1.559,1192 1.478,1193 1.478,1194 1.721,1195 0.292,1196 4.299,1197 1.426,1198 4.081,1199 4.115,1200 4.016,1201 4.006,1202 7.435,1203 4.004,1204 3.728,1205 3.778,1206 3.639,1207 3.564,1208 4.814,1209 3.57,1210 3.652,1211 3.722,1212 3.513,1213 3.473,1214 4.395,1215 3.466,1216 3.391,1217 3.462,1218 3.234,1219 3.212,1220 4.238,1221 3.195,1222 3.308,1223 3.362,1224 3.125,1225 3.077,1226 4.082,1227 3.089,1228 3.135,1229 3.212,1230 2.961,1231 2.935,1232 3.884,1233 2.946,1234 2.882,1235 2.955,1236 2.717,1237 2.756,1238 3.709,1239 2.738,1240 2.806,1241 2.886,1242 2.56,1243 2.528,1244 3.566,1245 2.524,1246 0.194,1247 0.16,1248 0.299,1249 0.186,1250 0.143,1251 4.469,1252 0.174,1253 3.669,1254 0.095,1255 6.875,1256 0.501,1257 4.267,1258 0.141,1259 3.284,1260 4.007,1261 2.186,1262 11.519,1263 3.232,1264 1.901,1265 1.883,1266 2.002,1267 1.989,1268 1.278,1269 1.992,1270 1.645,1271 1.576,1272 1.923,1273 1.87,1274 1.216,1275 1.886,1276 1.638,1277 1.567,1278 1.876,1279 1.845,1280 1.157,1281 1.861,1282 1.557,1283 1.492,1284 1.802,1285 1.71,1286 1.071,1287 1.745,1288 1.287,1289 1.221,1290 1.601,1291 1.545,1292 0.826,1293 1.55,1294 1.178,1295 1.12,1296 1.453,1297 1.472,1298 0.531,1299 1.484,1300 0.958,1301 0.89,1302 1.241,1303 1.184,1304 0.455,1305 1.205,1306 0.806,1307 0.739,1308 1.098,1309 1.057,1310 0.169,1311 1.078,1312 3.85,1314 5.165,1315 3.045,1316 6.673,1317 5.476,1318 8.282,1319 7.636,1320 9.952,1322 4.257,1328 6.23,1329 2.742,1330 5.38,1332 1.261,1333 2.569,1340 26.267,1341 63.607,1342 140.43,1343 201.359,1344 225.624,1345 225.624,1346 225.624,1347 30.333,1348 6.993,1349 41.57,1350 41.57,1351 16,1352 12.433,1353 3,1354 2.322,1355 32.315,1356 69,1357 82,1358 0.24,1359 161.532,1360 283.7,1361 385.897,1362 8900,1364 14.82,1365 0.706,1366 0.614,1367 14.82,1368 12.893,1369 10.224,1370 0.445,1371 0.35,1372 7.959,1373 9.854,1374 7.75,1375 6.438,1376 10.224,1377 8.051,1378 8.895,1379 0.278,1380 0.187,1381 8.895,1382 5.972,1383 7.618,1384 0.173,1385 0.108,1386 7.618,1387 4.743,1388 6.569,1389 0.108,1390 0.061,1391 6.569,1392 3.707,1393 5.191,1394 0.069,1395 0.034,1396 5.191,1397 2.514,1398 0.373,1399 63.766,1400 0.256,1401 20.818,1402 0.666,1403 110,1404 277.449,1405 120.889,1406 263.179,1407 363.81,1408 248,1409 131,1410 272.064,1411 140.645,1412 271.107,1413 401.82,1414 257,1415 5.659}
{0 CHEMBL326868,1 1.59,2 12.357,3 3.029,4 9.176,5 105.421,6 7.744,7 0.387,8 4.001,9 4.11,10 3.603,11 3.551,12 5.142,13 3.537,14 4.569,15 4.729,16 3.976,17 3.983,18 5.76,19 3.946,20 4.871,21 5.074,22 4.046,23 4.136,24 5.943,25 4.067,26 5.002,27 5.247,28 3.937,29 4.065,30 6.14,31 3.977,32 4.833,33 5.07,34 3.873,35 3.962,36 5.913,37 3.89,38 4.772,39 4.965,40 3.842,41 3.935,42 6.102,43 3.854,44 4.708,45 4.944,46 3.595,47 3.809,48 5.933,49 3.687,50 4.503,51 4.756,52 3.352,53 3.633,54 5.398,55 3.497,56 0.133,57 0.719,58 9.209,59 4.476,60 10.161,61 5.688,62 0.366,63 1.205,64 18.505,65 7.598,66 48.171,67 10.025,68 0.274,69 1.514,70 27.198,71 10.808,72 43.265,73 14.59,74 0.699,75 1.575,76 35.422,77 11.501,78 124.965,79 15.876,80 0.564,81 1.352,82 29.335,83 9.982,84 78.387,85 13.502,86 0.701,87 1.246,88 26.171,89 9.725,90 128.274,91 12.652,92 0.682,93 1.161,94 26.07,95 9.064,96 121.953,97 12.498,98 0.271,99 0.975,100 20.906,101 7.733,102 53.042,103 10.918,104 18,105 44,106 0.267,107 0.563,108 0.709,109 0.803,110 0.82,111 0.826,112 3.374,113 0.913,114 -4.62,115 -4.54,116 -4.27,121 42.9,123 2,124 1,127 4,144 8,145 3,146 1,160 2,168 2,176 12,179 3,180 10,187 11,192 17,200 5,205 1,206 13,214 4,218 3,219 8,227 11,231 5,239 11,243 4,244 4,251 6,256 8,264 1,269 9,277 2,281 1224,282 18.861,283 18.861,284 18.861,285 18.861,286 18.861,287 16.947,288 23.355,289 11.026,290 19.08,291 15.28,292 15.28,293 15.28,294 15.28,295 15.28,296 12.319,297 26.028,298 5.256,299 15.589,300 4.025,301 2.262,302 1.393,303 0.832,304 0.735,305 0.694,306 4.07,310 1,311 1,312 1,313 753,314 3.082,317 63.675,318 270.436,321 121.641,325 1.954,326 39.604,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 61.5,338 346,339 4.617,340 3.96,341 6.977,342 4.312,343 3.323,344 4.242,345 2.612,346 11.751,347 3.281,348 4.162,349 3.773,350 5.973,351 3.71,352 2.745,353 3.722,354 1.349,355 8.39,356 2.651,357 3.941,358 3.256,359 5.695,360 3.648,361 2.684,362 3.457,363 0.916,364 7.812,365 2.59,366 3.638,367 3.018,368 5.586,369 3.46,370 2.466,371 2.77,372 0.8,373 7.389,374 2.45,375 3.444,376 2.598,377 5.48,378 3.109,379 2.151,380 2.644,381 0.172,382 6.5,383 2.095,384 3.409,385 2.452,386 5.26,387 3.052,388 2.02,389 2.56,391 6.366,392 2.028,393 3.122,394 2.242,395 4.936,396 2.866,397 1.895,398 2.209,400 5.729,401 1.831,402 2.854,403 1.77,404 3.817,405 2.412,406 1.417,407 1.954,409 3.043,410 1.409,411 2.79,412 1.633,413 3.706,414 2.221,415 1.227,416 1.842,418 2.93,419 1.219,420 2.501,421 1.497,422 3.594,423 2,424 1,425 1.5,427 2.342,428 1,429 2.5,430 1.271,431 3.414,432 1.984,433 1,434 1.413,436 2.275,437 0.983,438 2,439 1.077,440 3.327,441 1.947,442 0.921,443 1,445 2.136,446 0.939,447 1.882,448 1,449 3.247,450 1.509,451 0.489,452 0.593,454 1.256,455 0.492,456 1.276,457 1,458 2.827,459 1.064,460 0.068,461 0.079,463 0.172,464 0.067,465 1.06,466 0.403,467 2.511,468 0.587,469 -0.429,470 -0.508,472 -1.038,473 -0.43,474 13.033,475 0.465,476 0.733,477 0.026,478 36.25,479 1.295,480 18,481 0.643,482 18.25,483 0.652,484 22.488,485 0.803,486 30.167,487 0.616,488 27.632,489 0.987,490 7.043,491 0.252,492 6.482,493 0.232,494 0.102,496 0.361,501 0.422,502 1.266,503 0.698,504 1.056,505 0.452,506 0.959,507 0.538,508 1.076,509 0.851,510 0.991,511 0.403,512 0.974,513 0.668,514 1.225,515 0.909,516 1.208,517 0.547,518 1.12,519 0.991,520 0.979,521 0.982,522 0.949,523 0.899,524 0.956,525 0.942,526 0.79,527 0.903,528 0.867,529 0.955,530 0.871,531 0.886,532 1.069,533 1.08,534 1.156,535 1.055,536 1.173,537 0.738,538 0.943,539 1.049,540 1.015,541 0.785,542 1.089,543 0.632,544 1.132,545 0.954,546 1.135,547 0.645,548 1.122,549 5.5,550 0.176,551 3.111,552 2.486,553 1.507,554 1.091,555 0.666,556 0.294,557 0.246,558 0.187,559 10632,560 30774,561 2.094,562 42.9,564 16,569 5,572 1.706,573 1.953,574 3.555,575 -0.742,576 1,577 1,582 77.889,583 1.59,584 3.352,585 4.222,586 4.783,587 4.88,588 4.921,589 3.088,590 4.379,591 4.775,592 3.745,593 1415.52,594 8.281,595 18979.7,597 1,599 1,600 275.121,601 1.432,602 4.736,603 0.177,604 0.008,605 0.071,606 0.055,607 0.04,608 0.029,609 0.02,610 0.011,611 0.012,612 0.009,613 0.432,614 0.17,615 1,616 0.744,617 142.131,618 0.155,619 -0.078,620 0.067,621 -0.002,622 0.026,624 0.133,625 0.058,626 -0.005,627 0.017,628 0.149,629 -0.013,630 0.007,631 -0.206,633 -0.198,634 0.068,635 -0.113,636 -0.031,637 -0.038,638 0.043,639 0.009,640 0.036,641 0.04,642 -0.008,643 0.17,644 0.105,645 0.101,646 -0.05,647 0.124,648 0.171,649 -0.123,650 -0.103,651 -0.156,652 0.08,653 -0.189,654 0.172,655 -0.016,656 -0.044,657 -0.031,658 0.13,659 -0.078,660 0.023,661 -0.212,662 0.023,663 -0.128,664 -0.031,665 -0.07,666 2.552,667 5.633,668 0.75,669 29.939,670 1.012,671 1.124,672 3.385,673 11.458,674 0.667,675 3.466,676 3.807,677 4.094,678 4.357,679 4.605,680 4.654,681 4.812,682 4.927,683 4.942,684 4.977,685 7.135,686 0.646,687 379.45,688 3.466,689 5.017,690 5.878,691 6.763,692 7.643,693 8.536,694 9.426,695 10.324,696 11.221,697 12.123,698 6.1,701 1,705 1,709 1,715 8,720 4,722 12,735 1,741 49,743 16,744 2,745 31,747 52,748 21,749 12,750 4,751 8,752 2,756 4,757 5,767 2,768 1,770 2,772 14,773 7,774 1,777 4,779 1,782 4,786 2,789 1,790 1,793 21,794 6,796 7,802 3,805 1,808 0.75,809 4,828 1,829 3,832 1,855 1,859 3,868 28,876 6,880 1,881 2,893 8.2,896 2,899 2,901 14.333,902 8.767,903 6.083,904 3.068,907 2.312,908 1.3,909 0.98,910 5.143,911 10.031,912 3.738,913 4.29,914 4.804,915 5.301,916 5.8,917 5.979,918 6.31,919 6.375,920 6.457,921 6.417,922 1,923 45,924 10.466,926 4.665,927 0.026,929 8.012,931 19.703,933 16.746,936 2.512,937 70.333,940 1,941 247.193,942 111.025,943 11.919,945 101.037,948 111.025,949 348.23,950 11.919,951 5.67,952 16.616,953 75.81,954 59.699,955 15.438,957 247.193,958 50.747,959 247.193,960 122.943,961 101.037,964 188.338,965 109.145,966 50.747,968 19.741,969 97.533,970 5.67,972 247.193,973 112.955,974 111.025,977 247.193,978 35.215,979 87.729,981 101.037,982 247.193,983 112.955,984 111.025,986 0.588,987 0.346,988 0.182,989 0.103,990 22,991 10,992 0.096,993 5,994 1,995 1.095,996 4.022,997 242.901,998 0.095,999 21,1000 124.606,1005 18.64,1006 7.726,1007 3.814,1009 107.285,1010 14.174,1015 1.511,1018 471.173,1019 41,1021 -0.552,1024 47.106,1028 -0.767,1031 49.567,1032 55.069,1034 0.283,1035 0.597,1036 0.752,1037 0.852,1038 0.869,1039 0.876,1040 4.99,1041 1.417,1042 5.872,1043 5.729,1044 4.489,1045 4.977,1046 2.918,1047 6.698,1048 4.452,1049 6.183,1050 1.227,1051 7.444,1052 3.043,1053 4.111,1054 4.796,1055 2.431,1056 7.624,1057 4.052,1058 7.487,1059 1,1060 9.115,1061 2.93,1062 6.098,1063 7.09,1064 4.267,1065 10.747,1066 6.019,1067 8.823,1068 1,1069 10.846,1070 2.342,1071 6.538,1072 7.727,1073 4.528,1074 12.534,1075 6.441,1076 10.194,1077 0.921,1078 12.616,1079 2.275,1080 8.01,1081 9.524,1082 5.975,1083 15.198,1084 7.895,1085 11.588,1086 0.489,1087 14.413,1088 2.136,1089 8.836,1090 10.544,1091 6.562,1092 17.375,1093 8.708,1094 13.004,1095 0.068,1096 16.232,1097 1.256,1098 10.11,1099 12.14,1100 7.801,1101 19.895,1102 9.966,1103 3.323,1104 -0.429,1105 18.068,1106 0.172,1107 11.124,1108 13.351,1109 8.55,1110 22.243,1111 10.971,1112 2.745,1113 11.751,1114 19.92,1115 -1.038,1116 12.327,1117 14.858,1118 9.672,1119 24.72,1120 12.161,1121 2.684,1122 8.39,1123 21.784,1124 4.242,1125 13.431,1126 16.169,1127 10.509,1128 27.138,1129 13.257,1130 2.466,1131 7.812,1132 23.66,1133 3.722,1134 14.614,1135 17.634,1136 11.564,1137 29.604,1138 14.429,1139 2.151,1140 7.389,1141 25.546,1142 3.457,1143 15.763,1144 18.999,1145 12.452,1146 32.049,1147 15.569,1148 2.02,1149 6.5,1150 27.441,1151 2.77,1152 16.944,1153 20.445,1154 13.468,1155 34.512,1156 16.74,1157 1.895,1158 6.366,1159 29.343,1160 2.644,1161 18.115,1162 21.841,1163 14.386,1164 36.968,1165 17.902,1166 10061,1167 17381,1168 20.69,1169 32.688,1170 47.332,1171 50.017,1172 48.219,1173 46.861,1174 46.812,1175 59.969,1176 11.7,1177 136.183,1178 46.07,1179 5.617,1180 5.96,1181 6.778,1182 5.347,1183 5.323,1184 7.242,1185 4.612,1186 18.95,1187 5.281,1188 13.72,1189 1.527,1190 1.613,1191 1.555,1192 1.512,1193 1.51,1194 1.934,1195 0.377,1196 4.393,1197 1.486,1198 4.072,1199 4.096,1200 4.042,1201 3.954,1202 7.815,1203 3.968,1204 3.943,1205 3.984,1206 3.861,1207 3.86,1208 7.446,1209 3.855,1210 3.817,1211 3.864,1212 3.727,1213 3.698,1214 7.408,1215 3.691,1216 3.656,1217 3.681,1218 3.623,1219 3.327,1220 6.999,1221 3.388,1222 3.336,1223 3.398,1224 3.234,1225 3.103,1226 4.757,1227 3.118,1228 3.164,1229 3.211,1230 3.06,1231 2.941,1232 4.618,1233 2.949,1234 3.111,1235 3.206,1236 2.95,1237 2.911,1238 4.316,1239 2.91,1240 2.989,1241 3.013,1242 2.866,1243 2.802,1244 3.911,1245 2.808,1246 0.149,1247 0.128,1248 0.225,1249 0.139,1250 0.107,1251 4.617,1252 0.137,1253 3.96,1254 0.084,1255 6.977,1256 0.379,1257 4.312,1258 0.106,1259 3.323,1260 4.242,1261 2.612,1262 11.751,1263 3.281,1264 1.932,1265 1.896,1266 2.091,1267 2.072,1268 1.462,1269 2.077,1270 1.913,1271 1.895,1272 2.004,1273 2.065,1274 1.151,1275 2.028,1276 1.827,1277 1.777,1278 1.983,1279 1.951,1280 1.104,1281 1.971,1282 1.433,1283 1.383,1284 1.618,1285 1.703,1286 0.869,1287 1.668,1288 1.238,1289 1.222,1290 1.513,1291 1.657,1292 0.825,1293 1.547,1294 1.184,1295 1.136,1296 1.414,1297 1.412,1298 0.611,1299 1.429,1300 1.153,1301 1.064,1302 1.26,1303 1.376,1304 0.331,1305 1.414,1306 0.943,1307 0.881,1308 1.192,1309 1.15,1310 0.218,1311 1.176,1312 4.143,1314 5.476,1315 2.398,1316 7.004,1317 4.949,1318 8.615,1319 7.195,1320 10.27,1328 4.965,1332 0.254,1333 3.642,1340 31.665,1341 77.889,1342 164.26,1343 206.856,1344 234.366,1345 239.121,1346 241.121,1347 65.824,1348 7.719,1349 88.13,1350 88.13,1351 23,1352 12.645,1353 4.087,1354 3.459,1355 42.708,1356 120,1357 122,1358 0.174,1359 192.657,1360 345.02,1361 461.844,1362 24812,1364 19.673,1365 0.703,1366 0.55,1367 19.673,1368 15.413,1369 13.525,1370 0.436,1371 0.304,1372 9.307,1373 12.957,1374 9.146,1375 7.526,1376 13.525,1377 9.436,1378 12.389,1379 0.282,1380 0.168,1381 12.389,1382 7.413,1383 10.603,1384 0.18,1385 0.094,1386 10.603,1387 5.562,1388 8.651,1389 0.112,1390 0.052,1391 8.651,1392 3.985,1393 7.213,1394 0.073,1395 0.03,1396 7.213,1397 2.997,1398 0.279,1399 85.353,1400 0.22,1401 27.069,1402 0.464,1403 150,1404 477.877,1405 165.435,1406 455.895,1407 603.28,1408 420,1409 178,1410 435.271,1411 194.465,1412 434.851,1413 635.02,1414 407,1415 5.523}
{0 CHEMBL327012,1 1.875,2 4.667,3 1.335,4 1.782,5 43.499,6 11.349,7 0.462,8 2.953,9 3.012,10 2.851,11 2.623,12 4.3,13 2.641,14 3.403,15 3.467,16 3.282,17 2.998,18 4.86,19 3.008,20 3.597,21 3.691,22 3.275,23 2.962,24 5.303,25 2.959,26 3.339,27 3.479,28 2.877,29 2.606,30 4.802,31 2.573,32 2.925,33 3.046,34 2.768,35 1.951,36 4.75,37 2.002,38 1.852,39 1.903,40 1.687,41 0.867,42 3.869,43 0.894,56 0.104,57 0.206,58 0.535,59 1.075,60 13.644,61 0.881,62 0.188,63 0.318,64 0.817,65 1.835,66 24.454,67 1.651,68 0.377,69 0.358,70 5.782,71 2.684,72 61.491,73 2.356,74 0.275,75 0.277,76 4.965,77 2.259,78 40.022,79 2.036,80 0.282,81 0.146,82 4.762,83 1.628,84 45.636,85 1.34,86 0.143,87 0.031,88 3.171,89 0.573,90 23.158,91 0.237,104 10,105 19,106 0.42,107 0.736,108 0.83,109 0.897,110 0.897,111 0.897,112 2.603,113 0.857,114 -2.79,115 -2.8,116 -2.72,121 50,144 3,145 1,146 2,159 1,160 1,176 2,180 1,183 1,185 2,187 4,191 1,192 2,195 1,197 2,200 4,206 3,219 3,224 1,232 1,281 92,282 7.793,283 7.793,284 7.793,285 7.793,286 7.793,287 6.833,288 9.607,289 4.42,290 7.934,291 6.379,292 6.379,293 6.379,294 6.379,295 6.379,296 4.803,297 12.29,298 2.093,299 6.625,300 2.125,301 0.719,302 0.297,306 3.225,308 1,312 1,313 116,314 1.581,317 20.023,318 24.29,321 37.456,325 0.722,326 18.901,329 1,330 0.67,331 0.83,332 0.4,334 1,335 1,336 0.7,337 26.833,338 56,339 4.498,340 3.885,341 6.662,342 4.166,343 3.163,344 4.105,345 1.058,346 10.634,347 3.169,348 3.758,349 2.998,350 5.43,351 3.299,352 2.348,353 3.156,355 6.628,356 2.229,357 3.303,358 2.83,359 4.954,360 2.855,361 1.91,362 2.554,364 5.651,365 1.721,366 3.025,367 2.466,368 4.684,369 2.626,370 1.628,371 2.134,373 4.7,374 1.585,375 2.376,376 1.354,377 3.477,378 1.826,379 0.797,380 1.164,382 1.958,383 0.806,384 1.466,385 0.828,386 2.484,387 0.976,393 0.711,394 0.211,395 2.287,396 0.247,397 -0.667,398 -0.866,400 -1.632,401 -0.51,402 0.689,403 -0.122,404 2.253,405 0.207,406 -0.797,407 -1.119,409 -2.286,410 -0.804,411 0.2,412 -0.872,413 1.606,414 -0.239,415 -1.241,416 -1.645,418 -3.192,419 -1.095,420 -0.139,421 -1.09,422 1.271,423 -0.603,424 -1.45,425 -2,427 -3.924,428 -1.505,429 -0.5,430 -1.522,431 1.121,432 -0.792,433 -1.786,434 -2.201,436 -5.391,437 -1.747,438 -0.579,439 -1.806,440 1.076,441 -0.969,442 -1.906,443 -2.282,445 -6.275,446 -1.85,447 -0.809,448 -2,449 0.696,450 -1,451 -2,452 -3,453 -1.058,454 -6.872,455 -2,474 5.781,475 0.482,476 0.404,477 0.034,478 17.25,479 1.438,480 9.5,481 0.792,482 7.75,483 0.646,484 5.818,485 0.485,486 12.219,487 0.764,488 9.838,489 0.82,490 3.494,491 0.291,492 2.188,493 0.182,494 0.239,496 0.432,501 0.623,502 0.972,503 0.466,504 0.644,505 0.549,506 0.611,507 0.592,508 1.151,509 0.557,510 0.856,511 0.599,512 0.851,513 0.914,514 1.044,515 1.136,516 1.115,517 0.857,518 1.158,519 1.204,520 1.061,521 1.16,522 1.099,523 1.111,524 1.217,525 1.546,526 0.812,527 1.164,528 1.058,529 1.82,530 0.88,531 2.727,532 0.064,533 3.555,534 1.738,535 3.001,536 1.484,549 3,551 1.778,552 1.326,553 0.568,554 0.278,559 736,560 3581,561 1.991,562 25,564 3,567 1,572 1.463,573 1.8,574 2.334,575 -0.083,582 30,583 1.875,584 3.281,585 3.703,586 4,587 4,588 4,589 1.784,590 3.189,591 3.562,592 2.301,593 151.898,594 5.88,595 1046.68,600 64,601 1.555,602 3.478,603 0.231,605 0.094,606 0.078,607 0.057,608 0.046,613 0.506,614 1,615 1,616 0.799,617 40.491,618 -0.079,619 0.05,620 -0.017,621 0.072,622 -0.056,623 0.072,624 0.045,625 -0.177,626 0.005,627 -0.096,628 0.003,629 -0.116,630 0.025,631 -0.114,632 -0.212,633 -0.189,634 0.084,635 -0.236,636 -0.263,637 -0.141,638 -0.117,639 -0.083,640 -0.176,641 -0.106,642 -0.04,643 0.034,644 0.359,645 0.162,646 -0.212,647 0.357,648 -0.377,649 0.648,650 -0.878,651 -0.235,652 -0.558,653 -0.317,666 2.257,667 4.078,668 0.75,669 4.444,670 1.053,671 1.106,672 1.559,673 2.431,674 0.768,675 2.639,676 2.996,677 3.258,678 3.497,679 3.638,680 3.466,681 3.367,682 3.219,683 2.079,684 0.693,685 2.985,686 0.771,687 181.58,688 2.639,689 4.174,690 5.03,691 5.922,692 6.801,693 7.694,694 8.58,695 9.472,696 10.361,697 11.253,698 6.3,705 1,715 3,720 3,722 6,727 1,740 1,741 16,743 8,744 1,745 13,747 17,748 8,749 6,750 3,751 3,752 2,756 2,757 3,758 1,772 8,777 2,782 2,786 2,793 4,794 3,795 1,796 4,797 1,802 1,808 0.5,809 2,828 1,829 1,832 1,843 1,859 1,865 1,868 12,877 1,892 1,893 12.5,896 2,901 6.667,902 2.976,903 2.583,904 0.876,907 1.53,908 1.281,909 0.997,910 1.496,911 6.969,912 2.944,913 3.541,914 4.099,915 4.594,916 5.09,917 5.123,918 5.272,919 5.316,920 4.467,921 3.446,922 1,923 17,924 4.405,925 0.006,926 1.963,927 0.026,929 8.412,931 7.876,932 0.003,933 6.438,934 -0.002,936 2.912,937 34.944,938 0.004,941 35.313,942 47.71,943 18.011,944 39.149,945 50.29,948 47.71,949 124.752,950 18.011,952 18.011,953 28.429,954 60.128,955 9.443,957 35.313,958 39.149,959 35.313,960 65.721,961 50.29,962 39.149,964 35.313,965 50.29,968 18.011,969 47.71,970 39.149,972 35.313,973 68.301,974 86.858,977 35.313,978 19.281,979 28.429,980 18.011,981 89.438,982 35.313,983 68.301,984 86.858,986 0.6,987 0.356,988 0.185,989 0.103,990 11,991 5,994 1,995 1.222,996 2.34,997 72.835,998 0.222,999 9,1000 43.02,1005 7.466,1006 2.405,1007 1.072,1009 68.301,1010 4.719,1015 1.348,1017 18.011,1018 190.472,1019 18,1024 21.917,1028 -1.111,1031 16.847,1032 17.692,1034 0.469,1035 0.82,1036 0.926,1037 1,1038 1,1039 1,1040 4.182,1041 -0.797,1042 5.056,1043 -1.632,1044 3.664,1045 4.22,1046 1.176,1047 5.9,1048 3.61,1049 5.417,1050 -1.241,1051 6.648,1052 -2.286,1053 3.434,1054 4.182,1056 6.855,1057 3.349,1058 6.746,1059 -1.45,1060 8.336,1061 -3.192,1062 5.293,1063 6.407,1064 1.255,1065 9.964,1066 5.227,1067 8.108,1068 -1.786,1069 10.078,1070 -3.924,1071 5.832,1072 7.116,1074 11.743,1075 5.773,1076 9.5,1077 -1.906,1078 11.854,1079 -5.391,1080 7.241,1081 8.884,1082 1.338,1083 14.386,1084 7.189,1085 10.914,1086 -2,1087 13.655,1088 -6.275,1089 8.128,1090 9.94,1092 16.518,1093 8.097,1094 12.345,1096 15.474,1097 -6.872,1098 9.37,1099 11.521,1100 1.422,1101 18.99,1102 9.343,1103 3.163,1105 17.309,1107 10.41,1108 12.749,1110 21.264,1111 10.4,1112 2.348,1113 10.634,1114 19.156,1116 11.591,1117 14.245,1118 1.51,1119 23.67,1120 11.585,1121 1.91,1122 6.628,1123 21.013,1124 4.105,1125 12.696,1126 15.56,1128 25.999,1129 12.7,1130 1.628,1131 5.651,1132 22.878,1133 3.156,1134 13.855,1135 17.015,1136 1.599,1137 28.38,1138 13.864,1139 0.797,1140 4.7,1141 24.75,1142 2.554,1143 14.987,1144 18.375,1146 30.731,1147 15.003,1149 1.958,1150 26.626,1151 2.134,1152 16.14,1153 19.809,1154 1.69,1155 33.101,1156 16.159,1157 -0.667,1159 28.507,1160 1.164,1161 17.283,1162 21.193,1164 35.46,1165 17.307,1166 804,1167 1817,1168 8.266,1169 12.295,1170 20.24,1171 22.112,1172 21.182,1173 19.866,1174 19.694,1175 26.226,1176 2.117,1177 59.142,1178 19.021,1179 5.308,1180 5.885,1181 5.966,1182 5.166,1183 5.163,1184 7.105,1185 2.117,1186 17.506,1187 5.169,1188 6.1,1189 1.557,1190 1.701,1191 1.629,1192 1.528,1193 1.515,1194 2.017,1195 0.163,1196 4.549,1197 1.463,1198 4.001,1199 4.016,1200 4.054,1201 3.916,1202 7.499,1203 3.923,1204 3.447,1205 3.452,1206 3.636,1207 3.27,1208 7.352,1209 3.299,1210 2.942,1211 2.989,1212 3.083,1213 2.8,1214 4.925,1215 2.794,1216 2.625,1217 2.609,1218 2.77,1219 2.456,1220 4.355,1221 2.477,1222 2.498,1223 2.542,1224 2.385,1225 2.102,1226 3.676,1227 2.175,1228 1.927,1229 1.988,1230 2.232,1231 1.52,1232 3.547,1233 1.516,1234 1.579,1235 1.669,1236 1.557,1237 1.27,1238 2.731,1239 1.224,1240 1.362,1241 1.515,1242 0.882,1243 0.955,1244 2.197,1245 0.922,1246 0.346,1247 0.299,1248 0.512,1249 0.32,1250 0.243,1251 4.498,1252 0.316,1253 3.885,1254 0.081,1255 6.662,1256 0.818,1257 4.166,1258 0.244,1259 3.163,1260 4.105,1261 1.058,1262 10.634,1263 3.169,1264 1.87,1265 1.855,1266 1.935,1267 1.939,1268 1.072,1269 1.946,1270 1.367,1271 1.364,1272 1.426,1273 1.65,1274 0.348,1275 1.578,1276 0.928,1277 0.899,1278 1.081,1279 1.131,1280 0.141,1281 1.116,1282 0.773,1283 0.724,1284 0.97,1285 0.955,1287 0.984,1290 0.459,1291 0.421,1293 0.409,1296 0.072,1297 0.309,1299 0.229,1312 3.296,1314 4.635,1315 2.398,1316 6.168,1317 4.844,1318 7.786,1319 7.002,1320 9.451,1323 5.645,1329 2.427,1340 12.332,1341 30,1342 52.49,1343 59.245,1344 64,1345 64,1346 64,1347 18.935,1348 5.438,1349 49.93,1350 49.93,1351 11,1352 11.781,1353 3.17,1354 2.585,1355 17,1356 22,1357 18,1358 0.443,1359 81.205,1360 141.93,1361 189.9,1362 1086,1363 6.3,1364 8.715,1365 0.726,1366 0.557,1367 9.215,1368 6.682,1369 5.682,1370 0.437,1371 0.286,1372 3.321,1373 5.182,1374 3.237,1375 2.647,1376 5.97,1377 3.713,1378 5.414,1379 0.285,1380 0.153,1381 5.823,1382 2.91,1383 4.558,1384 0.182,1385 0.077,1386 4.82,1387 1.916,1388 3.538,1389 0.111,1390 0.04,1391 3.758,1392 1.287,1393 2.859,1394 0.077,1395 0.023,1396 3.17,1397 0.844,1398 0.619,1399 38.828,1400 0.348,1401 11.632,1402 1.442,1403 64,1404 248.007,1405 85.891,1406 266.275,1407 339.97,1408 244,1409 76,1410 215.389,1411 92.408,1412 226.79,1413 333.14,1414 213,1415 4}
{0 CHEMBL327135,1 1.853,2 15.361,3 4.84,4 23.422,5 137.108,6 8.772,7 0.447,8 4.202,9 4.297,10 3.917,11 3.675,12 5.495,13 3.677,14 4.7,15 4.837,16 4.236,17 4.039,18 6.153,19 4.03,20 4.891,21 5.042,22 4.299,23 4.13,24 6.128,25 4.112,26 5.043,27 5.243,28 4.314,29 4.142,30 6.348,31 4.107,32 4.921,33 5.081,34 4.246,35 4.092,36 6.21,37 4.067,38 4.954,39 5.123,40 4.308,41 4.094,42 6.53,43 4.044,44 4.843,45 5.021,46 4.207,47 4.021,48 6.091,49 3.968,50 4.839,51 5.041,52 4.093,53 3.957,54 6.081,55 3.917,56 0.409,57 0.885,58 9.633,59 5.235,60 14.983,61 5.886,62 0.793,63 1.328,64 23.792,65 9.008,66 116.48,67 9.999,68 0.918,69 1.513,70 28.012,71 10.381,72 60.722,73 11.762,74 1.376,75 1.586,76 38.253,77 12.159,78 140.935,79 14.843,80 1.261,81 1.441,82 30.034,83 10.537,84 127.873,85 11.65,86 1.58,87 1.5,88 34.847,89 11.017,90 206.465,91 13.311,92 0.953,93 1.387,94 31.147,95 10.225,96 117.211,97 11.465,98 0.955,99 1.357,100 35.265,101 10.009,102 113.792,103 11.802,104 82,105 52,106 0.297,107 0.575,108 0.737,109 0.804,110 0.836,111 0.836,112 3.615,113 0.925,114 -4.12,115 -4.06,116 -3.84,121 37.3,126 2,127 4,144 8,146 6,154 2,168 6,176 3,179 3,180 9,185 1,187 2,191 2,192 17,195 1,197 2,200 4,205 3,206 9,209 3,214 3,218 6,219 2,222 1,227 5,231 8,232 8,235 3,237 3,239 3,244 10,249 3,255 1,256 11,264 1,268 5,269 10,272 2,277 4,281 2980,282 23.499,283 23.499,284 23.499,285 23.499,286 23.499,287 20.544,288 35.567,289 13.968,290 24.162,291 18.757,292 18.757,293 18.757,294 18.757,295 18.757,296 14.289,297 49.345,298 6.643,299 19.779,300 4.03,301 2.298,302 1.284,303 0.865,304 0.67,305 0.67,306 4.293,313 1147,314 4.796,317 124.2,318 277.501,325 2.306,326 60.96,329 0.5,330 0.5,331 0.5,332 0.6,334 0.33,336 0.35,337 82.5,338 553,339 4.55,340 4.25,341 6.594,342 4.102,343 3.139,344 4.318,345 3.272,346 10.489,347 3.019,348 4.256,349 3.853,350 6.205,351 3.757,352 2.793,353 3.952,354 2.612,355 9.01,356 2.728,357 4.146,358 3.778,359 5.929,360 3.75,361 2.763,362 3.751,363 2.612,364 8.22,365 2.692,366 4.124,367 3.763,368 5.675,369 3.639,370 2.683,371 3.735,372 2.612,373 7.971,374 2.558,375 3.792,376 3.077,377 5.372,378 3.29,379 2.348,380 3.258,381 0.916,382 6.916,383 2.203,384 3.582,385 2.997,386 5.036,387 3.178,388 2.244,389 3.003,390 0.86,391 6.084,392 2.097,393 3.371,394 2.729,395 5.028,396 3.013,397 2.055,398 2.508,399 0.4,400 5.759,401 1.967,402 3.23,403 2.657,404 4.621,405 2.718,406 1.804,407 2.44,408 0.172,409 4.474,410 1.646,411 2.927,412 2.325,413 4.338,414 2.65,415 1.696,416 2.022,418 4.338,419 1.609,420 2.913,421 2.234,422 3.822,423 2.379,424 1.463,425 1.954,427 3.228,428 1.319,429 2.77,430 1.934,431 3.771,432 2.222,433 1.238,434 1.816,436 2.93,437 1.213,438 2.602,439 1.732,440 3.69,441 2.111,442 1.121,443 1.604,445 2.788,446 1.107,447 2.5,448 1.628,449 3.414,450 2,451 1,452 1.5,454 2.275,455 1,456 2.215,457 1.179,458 3.287,459 1.778,460 0.833,461 1.094,463 1.891,464 0.776,465 1.918,466 1,467 3.175,468 1.587,469 0.67,470 0.828,472 1.573,473 0.606,474 16.5,475 0.458,476 1.038,477 0.029,478 49.5,479 1.375,480 26,481 0.722,482 23.5,483 0.653,484 29.156,485 0.81,486 40.5,487 0.686,488 43.441,489 1.207,490 9.666,491 0.268,492 7.468,493 0.207,494 0.182,496 0.339,501 0.449,502 1.205,503 0.658,504 0.994,505 0.492,506 0.953,507 0.69,508 1.16,509 1.023,510 1.176,511 0.36,512 0.95,513 0.93,514 1.229,515 1.022,516 1.237,517 0.563,518 1.148,519 0.861,520 0.943,521 0.874,522 0.938,523 0.819,524 0.897,525 1.124,526 0.893,527 1.028,528 0.913,529 1.098,530 0.99,531 0.625,532 1.064,533 1.055,534 1.126,535 0.578,536 1.081,537 1.012,538 1.203,539 1.088,540 1.203,541 1.023,542 1.096,543 0.984,544 1.085,545 1.238,546 1.207,547 0.982,548 0.968,549 8.5,550 0.247,551 3.556,552 2.569,553 2.032,554 1.775,555 0.705,556 0.614,557 0.427,558 0.417,559 20143,560 75230,561 1.963,562 39,564 22,567 1,572 1.774,573 1.8,574 3.838,575 -0.217,582 109.317,583 1.853,584 3.585,585 4.598,586 5.018,587 5.213,588 5.213,589 3.319,590 4.614,591 5.135,592 4.077,593 2568.41,594 9.029,595 43518.1,600 347.076,601 1.53,602 5.076,603 0.224,604 0.006,605 0.068,606 0.049,607 0.039,608 0.036,609 0.015,610 0.015,611 0.01,612 0.01,613 0.472,614 0.33,615 0.63,616 1.122,617 200.376,618 0.217,619 0.04,620 0.072,621 0.047,622 0.015,623 -0.02,624 0.079,625 -0.017,626 -0.029,627 -0.041,628 0.267,629 0.046,630 -0.087,631 -0.161,632 -0.092,633 -0.191,634 0.005,635 -0.16,636 0.057,637 0.002,638 0.146,639 0.057,640 0.034,641 0.133,642 -0.108,643 0.1,644 -0.082,645 0.075,646 -0.164,647 -0.021,648 0.33,649 -0.064,650 0.035,651 -0.045,652 0.336,653 -0.07,654 -0.143,655 -0.179,656 0.017,657 -0.091,658 -0.117,659 -0.069,660 -0.124,661 -0.068,662 -0.048,663 -0.084,664 -0.068,665 0.073,666 2.79,667 4.537,668 0.472,669 48.531,670 1.037,671 1.133,672 2.886,673 8.33,674 0.664,675 3.664,676 3.97,677 4.159,678 4.382,679 4.554,680 4.673,681 4.682,682 4.7,683 4.754,684 4.852,685 8.921,686 0.657,687 517.57,688 3.664,689 5.198,690 6.019,691 6.882,692 7.726,693 8.595,694 9.449,695 10.321,696 11.18,697 12.054,698 8.5,701 1,703 1,709 3,715 8,718 1,720 8,722 17,734 1,735 3,739 1,741 59,743 23,744 2,745 38,747 61,748 22,749 16,750 6,751 6,756 3,757 3,772 16,773 6,777 6,779 3,782 6,792 1,793 23,794 10,795 1,796 14,797 1,802 5,808 1,809 8,828 1,829 2,855 1,859 3,860 1,862 1,864 2,868 36,876 4,877 1,878 1,879 1,881 1,893 13.6,898 2,899 6,901 20,902 11.217,903 7.972,904 3.162,907 3.084,908 1.403,909 0.929,910 9.665,911 10.738,912 3.98,913 4.577,914 5.039,915 5.573,916 6.015,917 6.354,918 6.554,919 6.765,920 7.03,921 7.444,922 1,923 52,924 13.346,926 5.727,927 0.026,929 8.296,931 24.07,933 18.801,936 2.796,937 100.667,941 258.964,942 163.245,943 38.145,945 172.748,947 32.22,948 131.025,949 431.712,950 38.145,951 33.803,952 6.011,953 75.81,954 18.011,955 45.145,956 10.898,957 291.184,958 152.241,959 258.964,960 169.17,961 172.748,962 32.22,964 258.964,965 20.507,966 152.241,968 9.135,969 125.014,970 35.021,971 32.22,972 258.964,973 210.893,974 163.245,977 258.964,978 70.642,979 112.737,980 18.011,981 172.748,982 258.964,983 210.893,984 163.245,986 0.58,987 0.317,988 0.166,989 0.091,990 21,991 12,992 0.213,993 13,995 1,996 4.617,997 318.556,999 17,1000 174.117,1001 1,1005 27.419,1006 12.689,1007 7.921,1009 193.883,1010 10.769,1013 5.748,1015 0.337,1017 18.011,1018 633.102,1019 52.5,1021 -2.096,1024 67.747,1031 61.156,1032 66.824,1034 0.315,1035 0.609,1036 0.782,1037 0.853,1038 0.886,1039 0.886,1040 5.205,1041 1.804,1042 6.009,1043 5.759,1044 4.654,1045 5.265,1046 4.083,1047 6.783,1048 4.562,1049 6.424,1050 1.696,1051 7.552,1052 4.474,1053 4.29,1054 5.231,1055 3.407,1056 7.636,1057 4.171,1058 7.738,1059 1.463,1060 9.193,1061 4.338,1062 6.217,1063 7.47,1064 6.042,1065 10.684,1066 6.047,1067 9.085,1068 1.238,1069 10.89,1070 3.228,1071 6.621,1072 8.219,1073 5.599,1074 12.345,1075 6.427,1076 10.461,1077 1.121,1078 12.622,1079 2.93,1080 8.05,1081 9.966,1082 8.19,1083 14.916,1084 7.816,1085 11.857,1086 1,1087 14.38,1088 2.788,1089 8.809,1090 11.057,1091 7.654,1092 16.931,1093 8.546,1094 13.269,1095 0.833,1096 16.157,1097 2.275,1098 10.038,1099 12.616,1100 10.422,1101 19.333,1102 9.741,1103 3.139,1104 0.67,1105 17.948,1106 1.891,1107 10.971,1108 13.869,1109 9.647,1110 21.513,1111 10.641,1112 2.793,1113 10.489,1114 19.751,1115 1.573,1116 12.118,1117 15.35,1118 12.704,1119 23.857,1120 11.755,1121 2.763,1122 9.01,1123 21.563,1124 4.318,1125 13.138,1126 16.685,1127 11.607,1128 26.116,1129 12.739,1130 2.683,1131 8.22,1132 23.383,1133 3.952,1134 14.255,1135 18.133,1136 15.019,1137 28.445,1138 13.822,1139 2.348,1140 7.971,1141 25.209,1142 3.751,1143 15.319,1144 19.512,1145 13.551,1146 30.743,1147 14.849,1148 2.244,1149 6.916,1150 27.041,1151 3.735,1152 16.429,1153 20.949,1154 17.354,1155 33.071,1156 15.923,1157 2.055,1158 6.084,1159 28.879,1160 3.258,1161 17.518,1162 22.352,1163 15.485,1164 35.389,1165 16.973,1166 19933,1167 38944,1168 24.274,1169 39.165,1170 56.71,1171 61.748,1172 58.354,1173 56.191,1174 56.172,1175 76.17,1176 26.917,1177 157.142,1178 53.512,1179 5.472,1180 6.25,1181 6.36,1182 5.217,1183 5.139,1184 7.318,1185 6.545,1186 17.331,1187 5.019,1188 23.889,1189 1.492,1190 1.625,1191 1.536,1192 1.479,1193 1.478,1194 2.004,1195 0.708,1196 4.135,1197 1.408,1198 4.074,1199 4.095,1200 4.061,1201 3.919,1202 7.822,1203 3.94,1204 3.954,1205 3.979,1206 3.97,1207 3.808,1208 7.812,1209 3.822,1210 3.94,1211 3.954,1212 3.922,1213 3.801,1214 7.811,1215 3.811,1216 3.659,1217 3.685,1218 3.72,1219 3.463,1220 6.999,1221 3.403,1222 3.568,1223 3.64,1224 3.651,1225 3.287,1226 6.999,1227 3.301,1228 3.514,1229 3.578,1230 3.475,1231 3.146,1232 6.999,1233 3.24,1234 3.487,1235 3.502,1236 3.374,1237 3.04,1238 5.035,1239 3.144,1240 3.296,1241 3.317,1242 3.316,1243 2.963,1244 4.889,1245 3.008,1246 0.12,1247 0.112,1248 0.174,1249 0.108,1250 0.083,1251 4.55,1252 0.114,1253 4.25,1254 0.086,1255 6.594,1256 0.276,1257 4.102,1258 0.079,1259 3.139,1260 4.318,1261 3.272,1262 10.489,1263 3.019,1264 1.951,1265 1.933,1266 2.019,1267 2.148,1268 1.164,1269 2.093,1270 1.875,1271 1.85,1272 1.959,1273 2.066,1274 1.075,1275 2.018,1276 1.648,1277 1.592,1278 1.868,1279 1.882,1280 1.036,1281 1.881,1282 1.6,1283 1.57,1284 1.741,1285 1.844,1286 1.029,1287 1.786,1288 1.44,1289 1.383,1290 1.661,1291 1.747,1292 0.851,1293 1.679,1294 1.296,1295 1.261,1296 1.526,1297 1.662,1298 0.657,1299 1.627,1300 1.262,1301 1.216,1302 1.417,1303 1.637,1304 0.469,1305 1.54,1306 1.181,1307 1.161,1308 1.291,1309 1.53,1310 0.362,1311 1.532,1312 4.344,1314 5.652,1315 2.398,1316 7.128,1317 4.595,1318 8.69,1319 6.555,1320 10.303,1322 3.894,1328 2.23,1329 2.937,1330 5.548,1331 1.556,1333 1.996,1340 38.754,1341 109.317,1342 211.508,1343 271.302,1344 296.056,1345 307.566,1346 307.566,1347 122.113,1348 7.654,1349 175.1,1350 200.4,1351 17,1352 12.598,1353 4.585,1354 3.954,1355 73.898,1356 185,1357 216,1358 0.184,1359 244.493,1360 434.17,1361 588.322,1362 23973,1364 26.242,1365 0.729,1366 0.562,1367 26.595,1368 20.227,1369 17.134,1370 0.451,1371 0.308,1372 10.422,1373 15.47,1374 10.072,1375 8.378,1376 17.634,1377 11.723,1378 15.88,1379 0.305,1380 0.171,1381 16.378,1382 8.895,1383 11.686,1384 0.185,1385 0.091,1386 12.242,1387 5.723,1388 9.53,1389 0.121,1390 0.05,1391 10.038,1392 3.912,1393 7.154,1394 0.076,1395 0.028,1396 7.669,1397 2.606,1398 0.297,1399 116.368,1400 0.203,1401 33.63,1402 0.481,1403 180,1404 751.658,1405 229.023,1406 719.788,1407 928.72,1408 658,1409 205,1410 660.11,1411 250.93,1412 651.86,1413 930.38,1414 603,1415 6.569}
{0 CHEMBL32768,1 1.441,2 11,3 3.283,4 10.781,5 77.212,6 5.965,7 0.263,8 3.852,9 4.001,10 3.203,11 3.229,12 4.86,13 3.18,14 4.416,15 4.654,16 3.386,17 3.577,18 5.217,19 3.475,20 4.62,21 4.898,22 3.374,23 3.694,24 5.352,25 3.538,26 4.684,27 4.975,28 3.349,29 3.65,30 5.451,31 3.485,32 4.613,33 4.914,34 3.23,35 3.523,36 5.424,37 3.371,38 4.518,39 4.802,40 3.008,41 3.437,42 5.352,43 3.261,44 4.373,45 4.684,46 2.876,47 3.342,48 5.01,49 3.147,50 4.28,51 4.583,52 2.808,53 3.241,54 4.994,55 3.059,56 0.1,57 0.596,58 11.577,59 3.889,60 13.925,61 5.977,62 0.289,63 0.859,64 19.723,65 5.912,66 17.436,67 9.35,68 0.252,69 0.943,70 23.184,71 7.568,72 20.702,73 11.659,74 0.402,75 0.916,76 24.886,77 7.132,78 28.129,79 11.545,80 0.343,81 0.792,82 23.108,83 6.277,84 31.933,85 10.194,86 0.442,87 0.714,88 21.15,89 5.936,90 39.928,91 9.352,92 0.2,93 0.659,94 17.617,95 5.343,96 15.427,97 8.579,98 0.203,99 0.597,100 16.234,101 4.722,102 18.585,103 7.637,104 25,105 22,106 0.257,107 0.495,108 0.709,109 0.8,110 0.864,111 0.879,112 3.006,113 1.135,114 -3.98,115 -3.94,116 -3.73,121 31.1,122 1,123 6,126 1,127 1,128 1,147 1,153 1,157 1,163 1,172 1,176 6,180 1,182 2,187 5,191 1,192 1,194 1,200 4,205 1,206 1,209 1,213 1,214 3,216 1,218 1,219 1,227 2,229 1,232 2,235 1,239 1,241 1,244 3,253 1,256 3,261 1,266 1,269 2,274 1,279 1,281 492,282 13.088,283 13.088,284 13.088,285 13.088,286 13.088,287 12.067,288 13.118,289 8.627,290 13.509,291 9.336,292 9.336,293 9.336,294 9.336,295 9.336,296 8.022,297 18.506,298 4.012,299 9.954,300 4.05,301 2.719,302 1.523,303 1.011,304 0.656,305 0.567,306 3.648,310 1,311 1,312 1,313 410,314 3.536,317 63.473,325 1.684,326 10.055,327 1,328 1,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 41.5,338 209,339 4.398,340 3.631,341 6.47,342 3.94,343 3.024,344 4.086,345 1.697,346 10.003,347 2.769,348 3.184,349 3.095,350 4.954,351 2.913,352 1.98,353 2.346,354 1.041,355 5.426,356 1.884,357 3.041,358 2.412,359 4.116,360 2.797,361 1.851,362 2.129,364 3.781,365 1.71,366 2.893,367 1.925,368 3.893,369 2.541,370 1.584,371 1.897,373 3.594,374 1.516,375 2.614,376 1.759,377 3.608,378 2.47,379 1.518,380 1.617,382 3.127,383 1.441,384 2.364,385 1.461,386 3.222,387 2.106,388 1.171,389 1.243,391 2.254,392 1.085,393 2.205,394 1.332,395 3.102,396 1.82,397 0.863,398 1.179,400 1.592,401 0.823,402 1.718,403 0.859,404 2.736,405 1.626,406 0.68,407 0.699,409 1.224,410 0.639,411 1.233,412 0.641,413 2.239,414 1.151,415 0.192,416 0.198,418 0.34,419 0.183,420 0.916,421 0.344,422 2,423 0.811,424 -0.152,425 -0.159,427 -0.262,428 -0.146,429 0.544,430 -0.133,431 1.85,432 0.418,433 -0.532,434 -0.558,436 -0.933,437 -0.499,438 0.397,439 -0.38,440 1.59,441 0.077,442 -0.857,443 -1,445 -1.571,446 -0.797,447 0.13,448 -0.872,449 1.399,450 -0.064,451 -1,452 -1.098,454 -2.034,455 -0.94,456 -0.124,457 -1.055,458 1.057,459 -0.383,460 -1.326,461 -1.441,463 -2.87,464 -1.222,465 -0.313,466 -1.437,467 0.741,468 -0.632,469 -1.582,470 -1.724,472 -3.352,473 -1.518,474 8.867,475 0.467,476 0.209,477 0.011,478 16.5,479 0.868,480 4.5,481 0.237,482 12,483 0.632,484 17.647,485 0.929,486 23.833,487 0.53,488 9.91,489 0.522,490 3.146,491 0.166,492 6.145,493 0.323,494 0.15,496 0.147,501 0.851,502 1.843,503 1.048,504 1.55,505 0.8,506 1.361,507 1.085,508 1.137,509 1.116,510 1.089,511 0.595,512 1.098,513 0.733,514 1.075,515 0.933,516 1.133,517 0.567,518 1.076,519 0.785,520 1.087,521 0.948,522 1.085,523 0.578,524 1.047,525 1.127,526 0.862,527 0.932,528 0.904,529 0.915,530 0.885,531 1.457,532 0.881,533 1.138,534 0.91,535 1.678,536 0.987,537 0.81,538 0.948,539 0.921,540 0.962,541 0.58,542 0.957,543 1.009,544 0.969,545 0.995,546 0.97,547 0.999,548 0.978,549 2,550 0.053,551 1.556,552 1.042,553 0.49,554 0.271,555 0.137,556 0.103,557 0.081,558 0.065,559 3422,560 7122,561 1.911,562 57.8,563 13,564 5,565 3,566 2,567 1,569 2,572 1.593,573 1.81,574 3.409,575 -0.249,577 1,579 1,582 64.864,583 1.441,584 2.772,585 3.969,586 4.481,587 4.836,588 4.925,589 2.905,590 4.037,591 4.213,592 3.579,593 612.006,594 7.131,595 6631.71,597 1,599 1,600 247.133,601 1.216,602 4.188,603 0.105,604 0.006,605 0.071,606 0.05,607 0.026,608 0.016,609 0.011,610 0.009,611 0.007,612 0.006,613 0.306,614 0.67,615 1,616 2.893,617 86.641,618 0.121,619 -0.372,620 0.047,621 -0.188,622 0.136,623 -0.103,624 -0.033,625 0.06,626 -0.067,627 0.004,628 0.008,629 -0.034,630 0.056,631 -0.026,632 0.026,633 -0.067,634 0.051,635 -0.033,636 0.162,637 -0.107,638 0.026,639 -0.109,640 0.108,641 -0.069,642 -0.001,643 0.053,644 0.058,645 0.011,646 0.106,647 0.047,648 -0.069,649 0.009,650 -0.121,651 0.034,652 -0.111,653 -0.046,654 -0.037,655 -0.014,656 0.01,657 0.004,658 -0.016,659 0.015,660 -0.087,661 -0.029,662 -0.037,663 -0.014,664 -0.078,665 -0.016,666 1.003,667 2.601,668 0.263,669 18.078,670 0.992,671 1.149,672 2.753,673 7.579,674 0.593,675 2.996,676 3.135,677 3.296,678 3.434,679 3.367,680 3.219,681 3.135,682 3.045,683 2.944,684 2.89,685 6.412,686 0.546,687 268.43,688 2.996,689 4.419,690 5.187,691 5.984,692 6.786,693 7.601,694 8.42,695 9.248,696 10.078,697 10.914,698 6.7,706 1,707 1,708 1,715 2,720 1,721 2,722 5,726 1,741 45,743 6,745 19,747 45,748 14,749 3,752 1,756 1,757 1,763 1,770 6,772 4,773 10,777 1,784 1,785 1,789 1,790 1,793 26,794 3,795 1,796 5,799 1,802 3,803 1,808 1,809 2,828 1,857 1,858 1,859 1,864 2,868 19,875 1,876 8,878 1,893 4.4,897 1,898 1,901 10.5,902 8.267,903 4.722,904 3.055,907 1.157,908 1.203,909 0.87,910 8.503,911 6.861,912 3.157,913 3.534,914 3.977,915 4.452,916 4.503,917 4.47,918 4.478,919 4.343,920 4.187,921 4.171,922 1,923 21,924 6.997,926 2.628,927 0.026,929 7.614,931 13.776,933 10.315,936 2.114,937 40.167,938 0.002,941 294.278,942 70.655,943 17.046,945 53.806,948 70.655,949 348.083,950 17.046,951 17.222,952 23.963,953 9.047,954 47.817,955 67,956 35.313,957 235.422,959 294.278,960 87.701,961 53.806,964 270.735,965 66.348,966 11,968 59.31,969 17.444,970 10.947,972 294.278,973 70.851,974 70.655,977 294.278,978 26.291,979 48.162,981 67.053,982 294.278,983 70.851,984 70.655,986 0.523,987 0.295,988 0.16,989 0.08,990 6,991 3,992 0.222,993 10,995 1,996 3.294,997 112.082,999 5,1000 80.711,1005 16.185,1006 9.982,1007 6.209,1009 67.053,1010 3.823,1015 0.811,1016 3.796,1017 42.806,1018 435.784,1019 22.5,1026 1.411,1027 3.064,1031 44.621,1032 51.689,1034 0.262,1035 0.505,1036 0.723,1037 0.816,1038 0.881,1039 0.897,1040 4.294,1041 0.68,1042 5.069,1043 1.592,1044 3.807,1045 4.212,1046 2.189,1047 5.74,1048 3.675,1049 5.389,1050 0.192,1051 6.532,1052 1.224,1053 2.944,1054 3.726,1056 6.475,1057 2.682,1058 6.618,1059 -0.152,1060 8.121,1061 0.34,1062 5.22,1063 6.224,1064 2.993,1065 9.61,1066 4.93,1067 7.902,1068 -0.532,1069 9.794,1070 -0.262,1071 5.398,1072 6.843,1074 11.371,1075 4.949,1076 9.24,1077 -0.857,1078 11.527,1079 -0.933,1080 6.993,1081 8.676,1082 3.938,1083 13.954,1084 6.518,1085 10.617,1086 -1,1087 13.3,1088 -1.571,1089 7.696,1090 9.772,1092 16.066,1093 7.072,1094 12.024,1095 -1.326,1096 15.103,1097 -2.034,1098 8.998,1099 11.348,1100 4.951,1101 18.472,1102 8.328,1103 3.024,1104 -1.582,1105 16.924,1106 -2.87,1107 9.94,1108 12.634,1110 20.704,1111 9.143,1112 1.98,1113 10.003,1114 18.759,1115 -3.352,1116 11.124,1117 14.109,1118 5.992,1119 23.047,1120 10.262,1121 1.851,1122 5.426,1123 20.603,1124 4.086,1125 12.164,1126 15.469,1128 25.323,1129 11.193,1130 1.584,1131 3.781,1132 22.454,1133 2.346,1134 13.301,1135 16.904,1136 7.044,1137 27.641,1138 12.255,1139 1.518,1140 3.594,1141 24.309,1142 2.129,1143 14.382,1144 18.292,1146 29.933,1147 13.236,1148 1.171,1149 3.127,1150 26.167,1151 1.897,1152 15.5,1153 19.711,1154 8.099,1155 32.243,1156 14.272,1157 0.863,1158 2.254,1159 28.028,1160 1.617,1161 16.596,1162 21.111,1164 34.541,1165 15.275,1166 3667,1167 5481,1168 12.307,1169 26.682,1170 25.984,1171 27.957,1172 27.151,1173 25.77,1174 25.724,1175 30.785,1176 5.476,1177 62.682,1178 24.101,1179 5.342,1180 5.505,1181 6.446,1182 5.025,1183 5.006,1184 6.793,1185 3.394,1186 16.5,1187 4.654,1188 9.745,1189 1.368,1190 1.471,1191 1.429,1192 1.356,1193 1.354,1194 1.62,1195 0.288,1196 3.299,1197 1.268,1198 4.028,1199 4.092,1200 3.98,1201 3.808,1202 6.546,1203 3.843,1204 3.782,1205 3.847,1206 3.614,1207 3.655,1208 4.865,1209 3.636,1210 3.58,1211 3.648,1212 3.401,1213 3.419,1214 4.503,1215 3.401,1216 3.335,1217 3.41,1218 3.176,1219 3.104,1220 4.197,1221 3.098,1222 3.25,1223 3.316,1224 3.135,1225 2.953,1226 4.04,1227 2.988,1228 3.159,1229 3.262,1230 2.929,1231 2.923,1232 3.949,1233 2.914,1234 2.938,1235 3.036,1236 2.675,1237 2.702,1238 3.772,1239 2.68,1240 2.765,1241 2.881,1242 2.463,1243 2.543,1244 3.547,1245 2.508,1246 0.231,1247 0.191,1248 0.341,1249 0.207,1250 0.159,1251 4.398,1252 0.215,1253 3.631,1254 0.089,1255 6.47,1256 0.526,1257 3.94,1258 0.146,1259 3.024,1260 4.086,1261 1.697,1262 10.003,1263 2.769,1264 1.794,1265 1.732,1266 2.048,1267 1.965,1268 1.395,1269 1.992,1270 1.655,1271 1.592,1272 1.889,1273 1.91,1274 1.177,1275 1.888,1276 1.593,1277 1.523,1278 1.795,1279 1.816,1280 0.938,1281 1.826,1282 1.527,1283 1.457,1284 1.73,1285 1.739,1286 0.865,1287 1.754,1288 1.281,1289 1.201,1290 1.611,1291 1.526,1292 0.816,1293 1.555,1294 1.06,1295 0.977,1296 1.353,1297 1.412,1298 0.539,1299 1.387,1300 0.951,1301 0.857,1302 1.338,1303 1.233,1304 0.358,1305 1.273,1306 0.817,1307 0.706,1308 1.224,1309 1.101,1310 0.316,1311 1.153,1312 3.664,1314 4.844,1315 2.398,1316 6.205,1317 4.727,1318 7.666,1319 6.783,1320 9.194,1322 4.134,1327 8.601,1328 8.895,1330 5.633,1340 24.552,1341 64.864,1342 124.761,1343 178.604,1344 201.624,1345 217.624,1346 221.624,1347 35.662,1348 5.704,1349 50.63,1350 50.63,1351 5,1352 11.485,1353 2.807,1354 2.17,1355 46.213,1356 72,1357 81,1358 0.31,1359 158.727,1360 271.48,1361 379.053,1362 1870,1364 13.924,1365 0.733,1366 0.639,1367 13.924,1368 12.139,1369 9.291,1370 0.489,1371 0.378,1372 7.057,1373 8.782,1374 6.859,1375 5.848,1376 9.291,1377 7.186,1378 7.031,1379 0.32,1380 0.223,1381 7.031,1382 4.902,1383 5.38,1384 0.207,1385 0.126,1386 5.38,1387 3.288,1388 4.122,1389 0.137,1390 0.07,1391 4.122,1392 2.111,1393 2.818,1394 0.101,1395 0.044,1396 2.818,1397 1.219,1398 0.51,1399 59.292,1400 0.285,1401 20.006,1402 0.783,1403 82,1404 233.508,1405 92.035,1406 219.038,1407 287.5,1408 204,1409 89,1410 202.86,1411 100.008,1412 203.036,1413 283.23,1414 187,1415 5.022}
{0 CHEMBL328085,1 1.516,2 10.344,3 3.161,4 9.994,5 107.259,6 8.848,7 0.514,8 4.078,9 4.127,10 3.73,11 3.551,12 5.457,13 3.605,14 4.518,15 4.58,16 4.155,17 3.946,18 5.918,19 3.995,20 4.874,21 4.964,22 4.32,23 4.092,24 6.378,25 4.139,26 4.98,27 5.113,28 4.232,29 4.052,30 6.406,31 4.08,32 4.919,33 5.063,34 4.179,35 4.018,36 6.37,37 4.029,38 4.839,39 4.981,40 4.152,41 4.031,42 6.219,43 4.037,44 4.857,45 4.994,46 4.205,47 4.056,48 6.295,49 4.075,50 4.855,51 4.968,52 4.179,53 4.013,54 6.375,55 4.044,56 0.45,57 0.618,58 8.086,59 4.865,60 66.764,61 4.107,62 0.616,63 0.974,64 12,65 7.773,66 70.468,67 7.349,68 1.308,69 1.292,70 21.553,71 10.321,72 165.089,73 9.906,74 1.673,75 1.38,76 29.21,77 11.161,78 223.139,79 11.367,80 1.741,81 1.305,82 28.901,83 10.662,84 227.247,85 11.557,86 1.369,87 1.248,88 25.28,89 10.23,90 175.077,91 11.071,92 1.31,93 1.275,94 25.164,95 10.407,96 179.589,97 11.102,98 1.402,99 1.241,100 23.803,101 9.961,102 201.513,103 9.608,104 65,105 52,106 0.254,107 0.561,108 0.7,109 0.818,110 0.884,111 0.904,112 3.503,113 0.8,114 -0.64,115 -0.76,116 -0.89,121 44,123 1,129 2,144 7,145 3,146 8,160 1,176 6,179 1,180 6,185 8,187 6,191 1,192 9,196 3,197 9,200 4,206 5,209 2,210 2,211 7,214 5,218 1,219 6,222 6,224 1,227 9,232 4,235 4,237 3,239 9,244 3,247 3,249 10,251 9,259 3,261 12,264 7,272 3,273 2,274 11,281 1870,282 20.756,283 20.756,284 20.756,285 20.756,286 20.756,287 18.149,288 22.629,289 11.657,290 21.185,291 17.19,292 17.19,293 17.19,294 17.19,295 17.19,296 13.317,297 24.309,298 5.531,299 18.018,300 4.128,301 2.292,302 1.459,303 0.753,304 0.36,305 0.24,306 4.19,311 1,312 1,313 706,314 3.24,318 359.493,322 147.366,325 1.406,326 72.663,329 0.75,330 0.67,331 0.83,332 0.2,334 0.67,335 0.5,336 0.52,337 74,338 331,339 4.463,340 3.729,341 6.662,342 4.153,343 3.198,344 4.107,345 1.674,346 10.787,347 3.051,348 4.405,349 3.502,350 6.372,351 3.995,352 3.028,353 4.097,354 1.151,355 9.651,356 2.924,357 4.258,358 3.178,359 6.336,360 3.869,361 2.899,362 3.897,364 9.503,365 2.809,366 3.946,367 3.143,368 5.94,369 3.616,370 2.67,371 3.27,373 8.187,374 2.51,375 3.799,376 2.928,377 5.861,378 3.473,379 2.505,380 3.083,382 7.885,383 2.402,384 3.471,385 2.476,386 5.197,387 3.098,388 2.14,389 2.787,391 6.271,392 2.041,393 3.276,394 2.347,395 5.059,396 2.875,397 1.947,398 2.531,400 5.816,401 1.796,402 3.232,403 2.232,404 4.98,405 2.837,406 1.888,407 2.481,409 5.659,410 1.776,411 3.135,412 2.214,413 4.879,414 2.816,415 1.879,416 2.256,418 5.225,419 1.749,420 2.82,421 1.899,422 4.25,423 2.372,424 1.414,425 1.949,427 3.638,428 1.347,429 2.734,430 1.721,431 4.06,432 2.258,433 1.275,434 1.729,436 3.497,437 1.233,438 2.254,439 1.559,440 3.998,441 2.024,442 1.098,443 1.223,445 3.089,446 1.004,447 1.573,448 1.106,449 3.273,450 1.304,451 0.422,452 0.463,454 1.044,455 0.366,456 1.519,457 1.068,458 2.921,459 1.189,460 0.273,461 0.317,463 0.652,464 0.246,465 1.313,466 0.522,467 2.821,468 0.969,469 0.065,470 0.077,472 0.15,473 0.058,474 14.333,475 0.448,476 1.124,477 0.035,478 44,479 1.375,480 23.5,481 0.734,482 20.5,483 0.641,484 25.16,485 0.786,486 35.467,487 0.709,488 40.541,489 1.267,490 8.943,491 0.279,492 6.191,493 0.193,494 0.186,496 0.488,501 1.057,502 0.865,503 0.779,504 0.829,505 1.047,506 0.718,507 0.777,508 1.209,509 0.684,510 1.181,511 0.619,512 0.971,513 0.97,514 1.214,515 0.969,516 1.206,517 0.802,518 1.12,519 1.096,520 1.07,521 1.102,522 1.071,523 1.008,524 1.084,525 0.886,526 0.874,527 0.986,528 0.89,529 0.852,530 0.958,531 0.846,532 0.9,533 0.911,534 0.909,535 0.801,536 0.932,537 0.887,538 0.953,539 0.878,540 0.949,541 0.921,542 0.921,543 1.117,544 1.063,545 1.113,546 1.064,547 1.267,548 1.081,549 8.5,550 0.293,551 4.889,552 2.688,553 2.787,554 1.25,555 1.136,556 0.778,557 0.665,558 0.557,559 12525,560 48191,561 2.008,562 36,564 9,567 7,569 2,572 1.753,573 1.811,574 3.331,575 4.093,577 1,582 75.807,583 1.516,584 3.352,585 4.185,586 4.891,587 5.284,588 5.404,589 2.694,590 4.601,591 4.972,592 3.502,593 1737.01,594 8.742,595 24818.4,597 1,599 1,600 282.193,601 1.546,602 4.893,603 0.243,604 0.009,605 0.094,606 0.047,607 0.056,608 0.026,609 0.023,610 0.015,611 0.014,612 0.013,613 0.54,614 0.17,615 0.75,616 0.656,617 165.087,618 -0.236,619 0.221,620 -0.084,621 0.23,622 -0.249,623 0.167,624 -0.031,625 -0.131,626 0.022,627 -0.12,628 0.016,629 -0.05,630 -0.028,631 -0.196,632 -0.108,633 -0.203,634 0.019,635 -0.195,636 -0.086,637 -0.097,638 -0.11,639 -0.1,640 -0.079,641 -0.112,642 0.091,643 0.098,644 0.023,645 0.087,646 0.046,647 0.042,648 0.029,649 0.093,650 0.042,651 0.093,652 0.009,653 0.079,654 -0.013,655 0.044,656 0.063,657 0.054,658 -0.018,659 0.083,660 -0.131,661 -0.067,662 -0.186,663 -0.078,664 -0.187,665 -0.135,666 2.64,667 5.704,668 0.688,669 29.465,670 1.045,671 1.117,672 -0.594,673 0.353,674 0.668,675 3.584,676 3.97,677 4.248,678 4.5,679 4.787,680 4.92,681 5.056,682 5.187,683 5.389,684 5.455,685 6.46,686 0.678,687 442.4,688 3.584,689 5.165,690 6.033,691 6.932,692 7.818,693 8.719,694 9.612,695 10.515,696 11.411,697 12.316,715 7,720 11,722 18,732 1,738 7,739 1,741 50,743 19,744 3,745 35,747 53,748 22,749 18,750 11,751 7,752 1,756 4,757 5,767 3,770 3,772 19,773 3,777 1,782 1,786 1,790 1,793 18,794 10,795 7,796 10,808 0.75,809 10,829 4,833 1,859 3,868 32,875 7,876 1,878 2,880 2,893 20,895 7,896 1,898 2,901 17.667,902 8.4,903 6.806,904 2.558,907 3.006,908 1.38,909 0.86,910 5.89,911 10.918,912 3.829,913 4.483,914 5.029,915 5.542,916 6.07,917 6.25,918 6.439,919 6.707,920 7.171,921 7.508,922 0.857,923 57,924 12.011,926 5.628,927 0.026,929 8.443,931 21.098,933 17.693,936 2.943,937 94.167,940 1,941 129.482,942 90.86,945 345.928,948 90.86,949 475.41,952 2.535,953 66.334,954 331.12,955 36.8,957 129.482,959 129.482,960 90.86,961 345.928,964 105.94,965 369.47,968 2.535,969 88.325,972 129.482,973 345.928,974 90.86,977 129.482,978 24.526,979 66.334,981 345.928,982 129.482,983 345.928,984 90.86,986 0.605,987 0.359,988 0.18,989 0.102,990 26,991 14,992 0.075,993 4,994 1,995 1.091,996 4.047,997 306.926,998 0.091,999 22,1000 154,1005 22.191,1006 8.494,1007 4.347,1009 345.928,1010 8.065,1015 -3.133,1017 298.783,1018 566.27,1019 45,1024 12.704,1028 -0.973,1031 52.225,1032 55.831,1034 0.269,1035 0.594,1036 0.741,1037 0.867,1038 0.936,1039 0.957,1040 5.109,1041 1.888,1042 6.066,1043 5.816,1044 4.654,1045 5.17,1046 2.225,1047 6.919,1048 4.559,1049 6.354,1050 1.879,1051 7.665,1052 5.659,1053 4.443,1054 5.156,1056 7.865,1057 4.287,1058 7.689,1059 1.414,1060 9.356,1061 5.225,1062 6.308,1063 7.386,1064 3.007,1065 10.963,1066 6.136,1067 9.051,1068 1.275,1069 11.096,1070 3.638,1071 6.825,1072 8.086,1074 12.658,1075 6.589,1076 10.438,1077 1.098,1078 12.866,1079 3.497,1080 8.229,1081 9.866,1082 3.906,1083 15.293,1084 7.978,1085 11.841,1086 0.422,1087 14.655,1088 3.089,1089 9.072,1090 10.899,1092 17.325,1093 8.762,1094 13.258,1095 0.273,1096 16.46,1097 1.044,1098 10.301,1099 12.49,1100 4.873,1101 19.781,1102 9.969,1103 3.198,1104 0.065,1105 18.275,1106 0.652,1107 11.295,1108 13.694,1110 21.974,1111 10.909,1112 3.028,1113 10.787,1114 20.1,1115 0.15,1116 12.456,1117 15.194,1118 5.874,1119 24.358,1120 12.041,1121 2.899,1122 9.651,1123 21.931,1124 4.107,1125 13.521,1126 16.488,1128 26.63,1129 13.056,1130 2.67,1131 9.503,1132 23.769,1133 4.097,1134 14.658,1135 17.941,1136 6.891,1137 28.987,1138 14.158,1139 2.505,1140 8.187,1141 25.612,1142 3.897,1143 15.757,1144 19.284,1146 31.299,1147 15.21,1148 2.14,1149 7.885,1150 27.459,1151 3.27,1152 16.888,1153 20.713,1154 7.915,1155 33.649,1156 16.301,1157 1.947,1158 6.271,1159 29.31,1160 3.083,1161 18.004,1162 22.083,1164 35.982,1165 17.371,1166 12154,1167 23942,1168 22.312,1169 33.398,1170 53.828,1171 55.917,1172 56.474,1173 53.407,1174 53.402,1175 68.533,1176 5.65,1177 162.111,1178 50.624,1179 5.41,1180 5.729,1181 5.96,1182 5.256,1183 5.198,1184 7.107,1185 3.349,1186 17.784,1187 5.051,1188 21.108,1189 1.538,1190 1.598,1191 1.614,1192 1.526,1193 1.526,1194 1.958,1195 0.161,1196 4.632,1197 1.446,1198 4.038,1199 4.046,1200 3.995,1201 3.939,1202 7.433,1203 3.95,1204 3.917,1205 3.92,1206 3.885,1207 3.827,1208 6.564,1209 3.839,1210 3.866,1211 3.877,1212 3.822,1213 3.791,1214 6.529,1215 3.796,1216 3.522,1217 3.534,1218 3.458,1219 3.346,1220 6.491,1221 3.363,1222 3.238,1223 3.217,1224 3.204,1225 2.996,1226 6.446,1227 3.049,1228 3.087,1229 3.109,1230 2.995,1231 2.896,1232 6.446,1233 2.913,1234 2.992,1235 3.006,1236 2.897,1237 2.755,1238 6.402,1239 2.78,1240 2.936,1241 2.97,1242 2.827,1243 2.746,1244 6.383,1245 2.75,1246 0.128,1247 0.107,1248 0.19,1249 0.119,1250 0.091,1251 4.463,1252 0.117,1253 3.729,1254 0.048,1255 6.662,1256 0.308,1257 4.153,1258 0.087,1259 3.198,1260 4.107,1261 1.674,1262 10.787,1263 3.051,1264 1.964,1265 1.953,1266 2.053,1267 2.084,1268 1.319,1269 2.071,1270 1.867,1271 1.862,1272 1.932,1273 1.982,1274 1.061,1275 1.962,1276 1.841,1277 1.829,1278 1.926,1279 1.941,1280 1.032,1281 1.935,1282 1.45,1283 1.427,1284 1.622,1285 1.655,1286 0.816,1287 1.635,1288 1.068,1289 1.085,1290 1.228,1291 1.36,1292 0.426,1293 1.284,1294 1.011,1295 0.984,1296 1.14,1297 1.263,1298 0.152,1299 1.243,1300 0.883,1301 0.856,1302 1.129,1303 1.192,1304 0.091,1305 1.149,1306 0.88,1307 0.839,1308 1.099,1309 1.14,1310 0.084,1311 1.13,1312 4.263,1314 5.631,1316 7.189,1318 8.836,1320 10.529,1327 68.245,1328 -0.046,1330 11.383,1332 -2.078,1340 33.889,1341 75.807,1342 167.587,1343 209.238,1344 244.541,1345 264.193,1346 270.193,1347 107.316,1348 7.911,1349 177.14,1350 177.14,1351 24,1352 12.836,1353 4.322,1354 3.459,1355 51.421,1356 119,1357 126,1358 0.204,1359 202.917,1360 368.52,1361 486.877,1362 29247,1364 23.154,1365 0.724,1366 0.508,1367 23.154,1368 16.258,1369 15.134,1370 0.432,1371 0.267,1372 9.15,1373 14.367,1374 9.054,1375 7.378,1376 15.134,1377 9.33,1378 14.659,1379 0.282,1380 0.139,1381 14.659,1382 7.239,1383 12.439,1384 0.18,1385 0.073,1386 12.439,1387 5.059,1388 9.827,1389 0.11,1390 0.039,1391 9.827,1392 3.479,1393 8.116,1394 0.068,1395 0.021,1396 8.116,1397 2.458,1398 0.312,1399 97.055,1400 0.212,1401 29.272,1402 0.585,1403 174,1404 652.254,1405 199.465,1406 610.478,1407 799.79,1408 560,1409 208,1410 569.576,1411 233.69,1412 566.437,1413 833.26,1414 532,1415 4.553}
{0 CHEMBL328102,1 1.329,2 11.667,3 5.236,4 27.42,5 104.377,6 7.011,7 0.593,8 3.943,9 4.065,10 3.54,11 3.592,12 4.856,13 3.51,14 4.516,15 4.7,16 3.856,17 4.016,18 5.328,19 3.894,20 4.815,21 5.058,22 3.833,23 4.143,24 5.517,25 3.964,26 4.888,27 5.17,28 3.646,29 4.082,30 5.514,31 3.859,32 4.762,33 5.055,34 3.495,35 3.942,36 5.373,37 3.732,38 4.64,39 4.904,40 3.528,41 3.91,42 5.316,43 3.715,44 4.617,45 4.883,46 3.449,47 3.878,48 5.276,49 3.652,50 4.469,51 4.741,52 3.235,53 3.687,54 5.113,55 3.46,56 0.062,57 0.667,58 11.684,59 4.781,60 7.505,61 6.683,62 0.124,63 1.158,64 21.176,65 8.542,66 12.866,67 11.752,68 0.166,69 1.497,70 30.144,71 12.069,72 18.403,73 16.471,74 0.2,75 1.587,76 35.193,77 13.414,78 20.107,79 17.909,80 0.177,81 1.379,82 30.308,83 11.63,84 17.494,85 15.769,86 0.149,87 1.235,88 25.519,89 10.092,90 16.276,91 13.827,92 0.165,93 1.214,94 27.531,95 10.784,96 16.626,97 14.062,98 0.12,99 1.033,100 24.009,101 9.241,102 13.414,103 12.236,105 36,106 0.226,107 0.516,108 0.689,109 0.795,110 0.829,111 0.829,112 3.227,113 1.084,114 -4.94,115 -4.85,116 -4.54,121 43.8,123 4,124 1,127 3,144 9,145 2,148 1,154 1,176 14,180 5,187 15,192 6,200 9,206 6,214 6,219 4,227 11,239 12,243 1,244 1,251 12,256 1,264 7,269 3,277 4,281 806,282 16.861,283 16.861,284 16.861,285 16.861,286 16.861,287 14.953,288 13.865,289 10.268,290 17.119,291 13.381,292 13.381,293 13.381,294 13.381,295 13.381,296 10.634,297 14.699,298 4.933,299 13.782,300 4.256,301 2.55,302 1.534,303 0.909,304 0.708,305 0.708,306 3.935,311 1,312 1,313 626,314 2.449,317 55.262,318 229.149,321 103.405,325 1.972,326 7.514,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 49,338 280,339 4.524,340 3.139,341 6.526,342 4.027,343 3.063,344 4.473,345 0.916,346 10.265,347 2.948,348 3.941,349 3.016,350 5.617,351 3.687,352 2.724,353 3.457,354 0.172,355 7.789,356 2.631,357 3.615,358 2.565,359 5.344,360 3.47,361 2.472,362 2.785,364 6.973,365 2.465,366 3.407,367 2.292,368 5.116,369 3.073,370 2.118,371 2.615,373 6.035,374 2.014,375 3.152,376 2.089,377 4.944,378 2.914,379 1.953,380 2.318,382 5.771,383 1.871,384 3.046,385 1.546,386 4.185,387 2.496,388 1.546,389 2.229,391 3.763,392 1.447,393 2.823,394 1.517,395 3.602,396 2.417,397 1.422,398 1.925,400 3.044,401 1.414,402 2.648,403 1.252,404 3.586,405 2.197,406 1.204,407 1.713,409 2.814,410 1.195,411 2.5,412 1.077,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.155,421 1,422 3.286,423 1.984,424 1,425 1.042,427 2.136,428 0.983,429 2,430 0.856,431 3.247,432 1.804,433 0.819,434 1,436 1.896,437 0.805,438 1.702,439 0.51,440 3.018,441 1.431,442 0.462,443 0.568,445 1.09,446 0.443,447 1.219,448 0.243,449 2.77,450 1.026,451 0.057,452 0.064,454 0.143,455 0.055,456 0.779,457 -0.289,458 2.243,459 0.52,460 -0.464,461 -0.532,463 -1.099,464 -0.453,465 0.66,466 -0.657,467 2,468 0.205,469 -0.774,470 -0.965,472 -1.812,473 -0.747,474 12.133,475 0.506,476 0.376,477 0.016,478 28.5,479 1.188,480 14,481 0.583,482 14.5,483 0.604,484 21.633,485 0.901,486 25.067,487 0.522,488 15.504,489 0.646,490 5.108,491 0.213,492 6.775,493 0.282,496 0.239,501 0.771,502 1.198,503 0.795,504 0.988,505 0.748,506 0.964,507 1.31,508 1.06,509 0.9,510 0.924,511 0.869,512 1.001,513 1.079,514 1.054,515 0.937,516 0.983,517 0.84,518 1.046,519 1.127,520 1.03,521 1.067,522 1.037,523 0.909,524 1.021,525 1.074,526 0.881,527 0.927,528 0.891,529 0.957,530 0.898,531 1.133,532 0.945,533 0.924,534 0.925,535 1.25,536 1.002,537 0.888,538 0.985,539 1.193,540 1.129,541 1.15,542 1.081,543 0.671,544 1.159,545 1.163,546 1.221,547 0.919,548 1.108,549 3.5,550 0.062,551 2,552 0.979,553 0.716,554 0.306,555 0.331,556 0.205,557 0.083,558 0.093,559 7924,560 16339,561 2.213,562 50,563 3,564 15,568 2,569 4,572 1.66,573 2.182,574 3.5,575 -0.864,582 63.8,583 1.329,584 3.035,585 4.051,586 4.676,587 4.877,588 4.877,589 2.924,590 4.168,591 4.558,592 3.673,593 1013.63,594 7.817,595 12529.9,600 268.078,601 0.811,602 4.56,603 0.13,604 0.005,605 0.056,606 0.03,607 0.028,608 0.013,609 0.014,610 0.01,611 0.005,612 0.007,613 0.295,614 0.5,615 1,617 117.023,618 0.201,619 -0.12,620 0.109,621 -0.018,622 0.182,623 0.025,624 -0.106,625 -0.001,626 -0.007,627 0.006,628 0.016,629 -0.039,630 -0.059,631 -0.067,632 -0.032,633 -0.047,634 0.041,635 -0.078,636 -0.056,637 -0.06,638 -0.062,639 -0.058,640 0.012,641 -0.05,642 -0.041,643 0.072,644 0.011,645 0.052,646 -0.042,647 0.069,648 -0.111,649 0.025,650 -0.031,651 -0.001,652 -0.228,653 -0.038,654 0.023,655 -0.013,656 -0.11,657 -0.088,658 -0.168,659 -0.088,660 0.099,661 -0.217,662 -0.095,663 -0.181,664 -0.08,665 -0.108,666 0.475,667 1.682,668 0.875,669 22.75,670 0.979,671 1.114,672 3.711,673 13.771,674 0.688,675 3.332,676 3.611,677 3.871,678 4.111,679 4.29,680 4.234,681 4.344,682 4.466,683 4.443,684 4.533,685 6.862,686 0.626,687 336.54,688 3.332,689 4.844,690 5.68,691 6.532,692 7.381,693 8.238,694 9.091,695 9.951,696 10.807,697 11.668,698 4.2,701 1,708 1,714 2,715 9,716 1,719 1,720 2,722 16,741 48,743 16,744 2,745 27,747 51,748 21,749 13,750 3,751 9,756 4,757 5,767 2,768 1,770 4,772 13,773 8,774 1,793 24,794 2,796 3,797 1,800 1,802 2,808 0.75,828 1,829 3,832 1,855 1,859 3,862 1,868 24,876 7,880 1,881 1,901 11,902 8.4,903 5.306,904 3.161,907 2.869,908 1.393,909 1.011,910 5.007,911 10.176,912 3.584,913 4.139,914 4.708,915 5.269,916 5.703,917 5.794,918 6.111,919 6.416,920 6.117,921 6.287,922 0.875,923 33,924 8.912,926 3.741,927 0.026,929 7.306,931 18.067,933 15.455,936 1.806,937 43.333,938 0.001,941 282.506,942 142.055,943 18.1,947 31.052,948 111.003,949 282.506,950 18.1,952 16.455,953 85.286,954 14.976,955 11.64,956 0.746,957 313.558,959 282.506,960 129.103,962 31.052,964 235.422,965 47.084,968 22.336,969 91.791,970 14.976,971 31.052,972 282.506,973 18.1,974 142.055,977 282.506,978 56.768,979 88.411,981 14.976,982 282.506,983 18.1,984 142.055,986 0.568,987 0.328,988 0.18,989 0.096,990 18,991 6,992 0.098,993 5,994 1,995 1.095,996 3.909,997 188.507,998 0.095,999 21,1000 102.039,1001 1,1005 15.927,1006 7.545,1007 3.929,1008 2.689,1009 18.1,1010 19.474,1011 4.682,1014 1.644,1015 2.743,1018 442.661,1019 35,1031 47,1032 53.484,1034 0.238,1035 0.543,1036 0.725,1037 0.837,1038 0.873,1039 0.873,1040 4.787,1041 1.204,1042 5.617,1043 3.044,1044 4.29,1045 4.824,1046 0.918,1047 6.358,1048 4.232,1049 5.943,1050 1,1051 7.12,1052 2.814,1053 3.611,1054 4.388,1055 0.325,1056 7.096,1057 3.496,1058 7.211,1059 1,1060 8.724,1061 2.275,1062 5.808,1063 6.977,1064 0.671,1065 10.187,1066 5.689,1067 8.516,1068 0.819,1069 10.39,1070 2.136,1071 6.019,1072 7.52,1073 0.393,1074 11.84,1075 5.837,1076 9.862,1077 0.462,1078 12.099,1079 1.896,1080 7.603,1081 9.5,1082 0.533,1083 14.406,1084 7.418,1085 11.236,1086 0.057,1087 13.84,1088 1.09,1089 8.252,1090 10.537,1091 0.384,1092 16.446,1093 8.006,1094 12.634,1095 -0.464,1096 15.604,1097 0.143,1098 9.563,1099 12.245,1100 0.438,1101 18.843,1102 9.305,1103 3.063,1104 -0.774,1105 17.386,1106 -1.099,1107 10.437,1108 13.528,1109 0.351,1110 21.049,1111 10.121,1112 2.724,1113 10.265,1114 19.183,1115 -1.812,1116 11.624,1117 15.115,1118 0.366,1119 23.394,1120 11.288,1121 2.472,1122 7.789,1123 20.993,1124 4.473,1125 12.613,1126 16.513,1127 0.312,1128 25.67,1129 12.223,1130 2.118,1131 6.973,1132 22.812,1133 3.457,1134 13.746,1135 18.047,1136 0.309,1137 28,1138 13.328,1139 1.953,1140 6.035,1141 24.641,1142 2.785,1143 14.793,1144 19.499,1145 0.273,1146 30.305,1147 14.326,1148 1.546,1149 5.771,1150 26.476,1151 2.615,1152 15.905,1153 21.011,1154 0.262,1155 32.632,1156 15.405,1157 1.422,1158 3.763,1159 28.318,1160 2.318,1161 16.981,1162 22.487,1163 0.236,1164 34.949,1165 16.436,1166 7277,1167 10572,1168 19.068,1169 33.035,1170 39.913,1171 39.741,1172 39.975,1173 39.726,1174 39.682,1175 51.379,1176 2.178,1177 107.99,1178 38.539,1179 5.524,1180 5.139,1181 6.328,1182 5.062,1183 5.063,1184 7.473,1185 1.605,1186 16.922,1187 4.948,1189 1.478,1190 1.472,1191 1.481,1192 1.471,1193 1.47,1194 1.903,1195 0.081,1196 4,1197 1.427,1198 4.075,1199 4.095,1200 4.307,1201 4.063,1202 4.939,1203 4.025,1204 3.946,1205 3.988,1206 3.866,1207 3.867,1208 4.755,1209 3.859,1210 3.815,1211 3.862,1212 3.703,1213 3.715,1214 4.357,1215 3.703,1216 3.473,1217 3.54,1218 3.436,1219 3.34,1220 4.295,1221 3.329,1222 3.249,1223 3.308,1224 3.292,1225 3.146,1226 3.878,1227 3.106,1228 3.111,1229 3.206,1230 3.01,1231 2.977,1232 3.708,1233 2.92,1234 3.049,1235 3.11,1236 2.866,1237 2.941,1238 3.674,1239 2.91,1240 2.884,1241 2.941,1242 2.763,1243 2.79,1244 3.58,1245 2.765,1246 0.168,1247 0.116,1248 0.242,1249 0.149,1250 0.113,1251 4.524,1252 0.166,1253 3.139,1254 0.034,1255 6.526,1256 0.38,1257 4.027,1258 0.109,1259 3.063,1260 4.473,1261 0.916,1262 10.265,1263 2.948,1264 1.949,1265 1.923,1266 2.106,1267 2.07,1268 1.487,1269 2.086,1270 1.921,1271 1.892,1272 2.03,1273 1.988,1274 1.205,1275 2.006,1276 1.829,1277 1.783,1278 1.987,1279 1.937,1280 1.139,1281 1.96,1282 1.506,1283 1.45,1284 1.725,1285 1.678,1286 0.982,1287 1.705,1288 1.221,1289 1.162,1290 1.513,1291 1.405,1292 0.825,1293 1.432,1294 1.153,1295 1.064,1296 1.461,1297 1.376,1298 0.693,1299 1.429,1300 1.027,1301 0.993,1302 1.238,1303 1.177,1304 0.451,1305 1.223,1306 0.929,1307 0.885,1308 1.181,1309 1.062,1310 0.273,1311 1.107,1312 4.007,1314 5.293,1315 2.398,1316 6.777,1317 4.727,1318 8.343,1319 6.823,1320 9.949,1328 8.642,1332 0.859,1333 2.601,1340 30.025,1341 63.8,1342 145.661,1343 194.429,1344 224.469,1345 234.078,1346 234.078,1347 27.337,1348 7.308,1349 16.13,1350 44.37,1351 23,1352 12.219,1353 4.087,1354 3.17,1355 34.226,1356 100,1357 88,1358 0.165,1359 186.864,1360 311.75,1361 447.708,1362 16163,1364 16.192,1365 0.675,1366 0.618,1367 16.546,1368 14.842,1369 11.882,1370 0.44,1371 0.361,1372 9,1373 11.258,1374 8.72,1375 7.217,1376 12.336,1377 9.752,1378 10.25,1379 0.285,1380 0.213,1381 10.801,1382 7.674,1383 8.785,1384 0.187,1385 0.129,1386 9.493,1387 6.062,1388 7.316,1389 0.122,1390 0.076,1391 8.116,1392 4.556,1393 5.915,1394 0.082,1395 0.046,1396 6.547,1397 3.325,1398 0.268,1399 76.901,1400 0.229,1401 24.101,1402 0.427,1403 126,1404 258.151,1405 152.085,1406 282.854,1407 399.14,1408 268,1409 146,1410 283.136,1411 171.541,1412 310.176,1413 448.43,1414 293,1415 7.004}
{0 CHEMBL32823,1 1.236,2 15.108,3 8.52,4 72.594,5 155.806,6 6.4,7 0.524,8 4.41,9 4.547,10 3.865,11 4.006,12 5.295,13 3.941,14 5.007,15 5.204,16 4.208,17 4.44,18 5.815,19 4.337,20 5.336,21 5.6,22 4.315,23 4.588,24 6.074,25 4.458,26 5.323,27 5.582,28 4.259,29 4.563,30 6.082,31 4.429,32 5.322,33 5.574,34 4.177,35 4.587,36 6.037,37 4.433,38 5.39,39 5.659,40 4.04,41 4.605,42 6.036,43 4.405,44 5.415,45 5.72,46 3.849,47 4.518,48 5.984,49 4.278,50 5.274,51 5.595,52 3.679,53 4.336,54 5.816,55 4.093,56 0.092,57 1.103,58 18.322,59 7.675,60 10.904,61 11.027,62 0.183,63 1.894,64 33.618,65 13.577,66 20.881,67 19.776,68 0.309,69 2.479,70 47.218,71 17.671,72 34.418,73 26.387,74 0.413,75 2.488,76 47.039,77 16.707,78 38.954,79 25.181,80 0.337,81 2.449,82 46.588,83 17.523,84 32.567,85 26.03,86 0.289,87 2.505,88 49.337,89 20.196,90 31.153,91 29.39,92 0.28,93 2.437,94 50.45,95 20.843,96 31.638,97 30.357,98 0.283,99 2.086,100 43.92,101 17.854,102 28.293,103 26.09,105 57,106 0.189,107 0.462,108 0.601,109 0.717,110 0.752,111 0.752,112 3.641,113 1.048,114 -6.01,115 -5.86,116 -5.46,121 42.9,123 13,127 2,144 8,145 4,146 2,148 4,176 20,180 8,185 6,187 21,192 8,197 6,200 14,206 4,209 2,211 10,214 17,224 6,227 24,232 2,237 2,239 28,244 2,251 24,256 2,260 1,264 20,269 2,277 16,281 2470,282 26.225,283 26.225,284 26.225,285 26.225,286 26.225,287 23.65,288 23.565,289 16.146,290 26.448,291 20.856,292 20.856,293 20.856,294 20.856,295 20.856,296 16.808,297 24.816,298 7.739,299 21.239,300 5.03,301 3.243,302 2.335,303 1.578,304 1.351,305 1.351,306 4.37,312 1,313 1270,314 3.742,318 529.757,322 605.348,325 2.034,326 15.773,329 0.75,330 0.33,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.75,337 76,338 559,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.4,346 11.348,347 3.162,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 4.564,354 0.4,355 11.348,356 3.162,357 3.914,358 2.669,359 5.982,360 3.524,361 2.532,362 3.437,364 8.37,365 2.512,366 3.914,367 2.668,368 5.982,369 3.524,370 2.532,371 3.437,373 8.37,374 2.512,375 3.522,376 2.358,377 5.381,378 3.139,379 2.185,380 2.893,382 6.711,383 2.084,384 3.522,385 2.354,386 5.381,387 3.132,388 2.179,389 2.893,391 6.711,392 2.075,393 2.943,394 1.922,395 4.116,396 2.865,397 1.872,398 2.142,400 3.841,401 1.859,402 2.939,403 1.771,404 4.116,405 2.575,406 1.6,407 2.142,409 3.505,410 1.558,411 2.893,412 1.622,413 4,414 2.515,415 1.526,416 1.905,418 3.329,419 1.507,420 2.674,421 1.525,422 3.954,423 2.494,424 1.502,425 1.706,427 3.329,428 1.489,429 2.601,430 1.453,431 3.808,432 2.345,433 1.347,434 1.632,436 3.308,437 1.343,438 2.537,439 1.433,440 3.644,441 2.345,442 1.347,443 1.543,445 3.121,446 1.343,447 2.489,448 1.35,449 3.594,450 2.242,451 1.247,452 1.488,454 2.902,455 1.24,456 2.482,457 1.35,458 3.594,459 2.242,460 1.247,461 1.482,463 2.902,464 1.24,465 2.252,466 1.328,467 3.561,468 2.177,469 1.213,470 1.246,472 2.687,473 1.166,474 18.1,475 0.489,476 0.548,477 0.015,478 44,479 1.189,480 21,481 0.568,482 23,483 0.622,484 39.895,485 1.078,486 39.5,487 0.513,488 28.638,489 0.774,490 7.34,491 0.198,492 11.042,493 0.298,496 0.276,501 0.989,502 1.201,503 0.947,504 1.056,505 0.816,506 1.009,507 1.003,508 1.249,509 1.02,510 1.13,511 0.844,512 1.086,513 1.125,514 1.064,515 0.871,516 0.912,517 0.936,518 0.881,519 1.536,520 1.021,521 1.06,522 0.95,523 1.275,524 0.97,525 1.513,526 1.021,527 1.186,528 1.047,529 1.318,530 1.087,531 0.982,532 1.068,533 1.186,534 1.171,535 1.091,536 1.188,537 0.702,538 0.974,539 1.027,540 1.065,541 0.888,542 1.067,543 0.673,544 0.839,545 0.925,546 0.933,547 0.792,548 0.943,549 3.5,550 0.091,551 3.333,552 2.25,553 2.16,554 0.708,555 0.478,556 0.229,557 0.172,558 0.134,559 27582,560 49468,561 2.232,562 51.9,563 18,564 12,567 2,568 4,569 4,572 1.772,573 2.198,574 3.748,575 0.028,582 95.2,583 1.236,584 3.023,585 3.932,586 4.689,587 4.916,588 4.916,589 2.96,590 3.588,591 5.193,592 4.043,593 2692.8,594 9.079,595 49169.3,600 482.543,601 0.842,602 5.183,603 0.083,604 0.003,605 0.058,606 0.036,607 0.038,608 0.014,609 0.011,610 0.007,611 0.006,612 0.005,613 0.262,614 0.33,615 0.63,617 209.714,618 0.023,619 -0.019,620 0.07,621 0.038,622 0.143,623 0.053,624 0.024,625 -0.15,626 -0.016,627 -0.085,628 0.12,629 -0.059,630 0.078,631 -0.038,632 0.135,633 0.066,634 0.165,635 0.097,636 -0.026,637 0.049,638 -0.033,639 0.003,640 -0.021,641 -0.012,642 -0.248,643 0.032,644 -0.177,645 -0.067,646 -0.254,647 -0.108,648 -0.156,649 -0.09,650 -0.212,651 -0.166,652 -0.23,653 -0.188,654 -0.022,655 -0.066,656 -0.069,657 -0.077,658 -0.095,659 -0.076,660 0.064,661 0.054,662 0.036,663 0.039,664 0.002,665 0.036,666 0.526,667 1.975,668 0.757,669 37.803,670 0.978,671 1.123,672 4.784,673 22.888,674 0.659,675 3.761,676 4.06,677 4.394,678 4.718,679 5.017,680 5.088,681 5.22,682 5.318,683 5.371,684 5.204,685 9.59,686 0.605,687 492.77,688 3.761,689 5.293,690 6.159,691 7.041,692 7.929,693 8.824,694 9.721,695 10.622,696 11.523,697 12.426,698 5.2,703 2,708 2,714 4,715 8,716 2,720 6,722 22,734 2,741 77,743 22,744 2,745 42,747 82,748 33,749 18,750 4,751 8,756 6,757 12,767 8,770 13,772 18,773 15,793 40,794 4,795 2,796 4,802 4,808 0.333,822 2,829 6,833 4,859 2,868 37,876 15,877 2,901 16.833,902 13.567,903 8.222,904 5.575,907 4.653,908 1.522,909 1.031,910 7.765,911 13.56,912 3.989,913 4.595,914 5.257,915 5.909,916 6.536,917 6.87,918 7.251,919 7.594,920 7.889,921 7.693,922 1,923 62,924 13.786,926 5.867,927 0.026,929 7.288,931 28.07,933 24.322,936 1.788,937 66.167,941 447.302,942 139.803,943 69.593,948 139.803,949 447.302,950 69.593,952 37.16,953 75.81,954 69.593,955 26.832,957 447.302,959 447.302,960 209.395,964 400.217,965 47.084,968 46.962,969 92.841,970 69.593,972 447.302,973 69.593,974 139.803,977 447.302,978 63.993,979 75.81,980 36.022,981 33.571,982 447.302,983 69.593,984 139.803,986 0.564,987 0.339,988 0.204,989 0.12,990 28,991 10,992 0.122,993 10,994 4,995 1.286,996 5.011,997 355.706,998 0.286,999 28,1000 156.75,1005 24.527,1006 11.715,1007 5.421,1008 4.864,1009 69.593,1010 17.281,1011 9.951,1015 8.31,1017 36.022,1018 656.697,1019 53,1031 75.312,1032 86.467,1034 0.197,1035 0.482,1036 0.627,1037 0.748,1038 0.784,1039 0.784,1040 5.218,1041 1.6,1042 6.107,1043 3.841,1044 4.745,1045 5.283,1046 0.495,1047 6.929,1048 4.707,1049 6.396,1050 1.526,1051 7.656,1052 3.505,1053 4.111,1054 5.094,1056 7.861,1057 4.05,1058 7.701,1059 1.502,1060 9.319,1061 3.329,1062 6.319,1063 7.557,1064 0.097,1065 11.048,1066 6.241,1067 9.053,1068 1.347,1069 11.055,1070 3.329,1071 6.635,1072 8.307,1074 12.888,1075 6.534,1076 10.45,1077 1.347,1078 12.841,1079 3.308,1080 8.219,1081 10.198,1082 0.016,1083 15.568,1084 8.103,1085 11.877,1086 1.247,1087 14.659,1088 3.121,1089 8.999,1090 11.369,1092 17.754,1093 8.86,1094 13.328,1095 1.247,1096 16.499,1097 2.902,1098 10.324,1099 13.036,1100 0.003,1101 20.269,1102 10.169,1103 3.226,1104 1.213,1105 18.356,1106 2.902,1107 11.322,1108 14.397,1110 22.595,1111 11.144,1112 3.226,1113 11.348,1114 20.224,1115 2.687,1116 12.544,1117 15.974,1119 25.054,1120 12.349,1121 2.532,1122 11.348,1123 22.101,1124 4.564,1125 13.639,1126 17.421,1128 27.437,1129 13.422,1130 2.532,1131 8.37,1132 23.984,1133 4.564,1134 14.824,1135 18.961,1137 29.877,1138 14.588,1139 2.185,1140 8.37,1141 25.874,1142 3.437,1143 15.961,1144 20.447,1146 32.285,1147 15.703,1148 2.179,1149 6.711,1150 27.768,1151 3.437,1152 17.134,1153 21.973,1155 34.717,1156 16.856,1157 1.872,1158 6.711,1159 29.665,1160 2.893,1161 18.289,1162 23.476,1164 37.137,1165 17.99,1166 24686,1167 33218,1168 29.701,1169 50.728,1170 61.574,1171 62.155,1172 62.86,1173 61.763,1174 61.762,1175 78.817,1176 1.6,1177 173.302,1178 60.594,1179 5.604,1180 5.361,1181 6.737,1182 5.247,1183 5.226,1184 7.564,1185 0.8,1186 18.879,1187 5.162,1189 1.466,1190 1.48,1191 1.497,1192 1.471,1193 1.471,1194 1.877,1195 0.038,1196 4.126,1197 1.443,1198 4.136,1199 4.168,1200 4.093,1201 4.062,1202 4.99,1203 4.065,1204 4.088,1205 4.118,1206 4.052,1207 4.018,1208 4.954,1209 4.023,1210 3.768,1211 3.833,1212 3.626,1213 3.657,1214 4.415,1215 3.643,1216 3.732,1217 3.781,1218 3.617,1219 3.649,1220 4.411,1221 3.635,1222 3.731,1223 3.78,1224 3.596,1225 3.633,1226 4.281,1227 3.615,1228 3.563,1229 3.644,1230 3.403,1231 3.394,1232 4.222,1233 3.384,1234 3.352,1235 3.429,1236 3.214,1237 3.198,1238 4.023,1239 3.193,1240 3.239,1241 3.3,1242 3.102,1243 3.126,1244 3.973,1245 3.113,1246 0.11,1247 0.08,1248 0.163,1249 0.1,1250 0.077,1251 4.64,1252 0.109,1253 3.361,1254 0.01,1255 6.829,1256 0.27,1257 4.207,1258 0.075,1259 3.226,1260 4.564,1261 0.4,1262 11.348,1263 3.162,1264 2.072,1265 2.047,1266 2.16,1267 2.164,1268 1.439,1269 2.164,1270 2.072,1271 2.046,1272 2.158,1273 2.162,1274 1.435,1275 2.162,1276 1.778,1277 1.717,1278 2.027,1279 1.942,1280 1.383,1281 1.975,1282 1.754,1283 1.709,1284 1.949,1285 1.873,1286 1.179,1287 1.902,1288 1.754,1289 1.707,1290 1.948,1291 1.872,1292 1.146,1293 1.901,1294 1.563,1295 1.489,1296 1.831,1297 1.771,1298 1.111,1299 1.795,1300 1.337,1301 1.271,1302 1.587,1303 1.553,1304 0.822,1305 1.571,1306 1.25,1307 1.196,1308 1.474,1309 1.407,1310 0.757,1311 1.431,1312 4.443,1314 5.746,1316 7.273,1318 8.916,1320 10.624,1328 18.106,1329 7.654,1340 46.568,1341 95.2,1342 232.807,1343 302.729,1344 361.033,1345 378.543,1346 378.543,1347 50.375,1348 8.908,1349 49.84,1350 49.84,1351 36,1352 12.947,1353 4.524,1354 3.585,1355 51.629,1356 226,1357 133,1358 0.109,1359 280.861,1360 479.3,1361 677.06,1362 141712,1364 24.865,1365 0.672,1366 0.598,1367 24.865,1368 22.12,1369 18.382,1370 0.438,1371 0.349,1372 14.6,1373 18.124,1374 14.323,1375 11.858,1376 18.382,1377 14.67,1378 15.685,1379 0.275,1380 0.191,1381 15.685,1382 10.894,1383 13.857,1384 0.173,1385 0.104,1386 13.857,1387 8.296,1388 12.284,1389 0.111,1390 0.057,1391 12.284,1392 6.356,1393 10.782,1394 0.072,1395 0.033,1396 10.782,1397 4.893,1398 0.181,1399 112.018,1400 0.183,1401 34.633,1402 0.273,1403 198,1404 385.956,1405 205.549,1406 391.016,1407 570.8,1408 374,1409 236,1410 447.014,1411 244.659,1412 457.111,1413 680.26,1414 438,1415 9.229}
{0 CHEMBL328468,1 1.447,2 13.179,3 3.668,4 13.452,5 109.68,6 7.085,7 0.5,8 4.075,9 4.194,10 3.62,11 3.646,12 5.077,13 3.612,14 4.657,15 4.831,16 3.985,17 4.085,18 5.587,19 4.022,20 4.952,21 5.176,22 3.952,23 4.211,24 5.808,25 4.096,26 5.022,27 5.292,28 3.808,29 4.15,30 5.765,31 3.997,32 4.907,33 5.18,34 3.757,35 4.016,36 5.697,37 3.884,38 4.767,39 5.014,40 3.673,41 3.959,42 5.617,43 3.83,44 4.734,45 4.986,46 3.555,47 3.904,48 5.543,49 3.754,50 4.646,51 4.911,52 3.392,53 3.775,54 5.396,55 3.612,56 0.082,57 0.768,58 11.593,59 5.096,60 8.221,61 6.85,62 0.161,63 1.32,64 22.117,65 8.882,66 17.302,67 12.315,68 0.247,69 1.644,70 31.568,71 12.013,72 32.867,73 16.851,74 0.278,75 1.681,76 35.304,77 12.966,78 33.162,79 18.733,80 0.381,81 1.471,82 32.061,83 11.39,84 36.502,85 16.276,86 0.343,87 1.34,88 26.94,89 9.647,90 35.331,91 13.856,92 0.298,93 1.262,94 26.191,95 9.862,96 32.171,97 13.909,98 0.27,99 1.123,100 24.358,101 9.13,102 27.409,103 12.964,104 2,105 45,106 0.239,107 0.581,108 0.761,109 0.827,110 0.835,111 0.835,112 3.374,113 0.958,114 -4.35,115 -4.29,116 -4.04,121 43.4,123 5,124 1,127 3,144 7,145 3,146 1,148 1,154 1,160 1,168 1,176 13,180 8,183 1,185 3,187 14,192 10,197 2,200 10,206 9,214 6,219 7,222 2,224 1,227 10,231 1,232 2,237 1,239 12,243 2,244 2,249 1,251 11,255 1,256 2,261 2,264 8,269 3,277 6,281 1206,282 19.411,283 19.411,284 19.411,285 19.411,286 19.411,287 17.375,288 22.449,289 11.51,290 19.579,291 15.869,292 15.869,293 15.869,294 15.869,295 15.869,296 12.746,297 26.863,298 5.574,299 16.128,300 4.281,301 2.218,302 1.13,303 0.731,304 0.679,305 0.679,306 4.091,310 1,311 1,312 1,313 837,314 2.739,317 120.003,318 246.035,321 202.894,324 140.263,325 2.048,326 19.37,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 59.5,338 369,339 4.606,340 3.687,341 6.605,342 4.165,343 3.175,344 4.551,345 1.987,346 10.6,347 3.142,348 4.114,349 3.175,350 6.135,351 3.781,352 2.796,353 3.592,354 0.916,355 9.051,356 2.752,357 3.941,358 3.017,359 5.617,360 3.684,361 2.719,362 3.457,363 0.324,364 7.789,365 2.628,366 3.61,367 2.716,368 5.343,369 3.467,370 2.468,371 2.737,372 0.172,373 6.969,374 2.465,375 3.42,376 2.552,377 5.132,378 3.079,379 2.11,380 2.617,382 6.103,383 2.046,384 3.279,385 2.25,386 4.947,387 2.969,388 1.978,389 2.508,391 5.819,392 1.941,393 3.16,394 2.028,395 4.786,396 2.832,397 1.822,398 2.241,400 5.219,401 1.829,402 2.883,403 1.796,404 4.539,405 2.51,406 1.523,407 2.017,409 4.518,410 1.5,411 2.811,412 1.516,413 3.915,414 2.41,415 1.416,416 1.904,418 3.042,419 1.406,420 2.5,421 1.167,422 3.594,423 2.026,424 1.046,425 1.5,427 2.82,428 1.023,429 2.426,430 1.077,431 3.414,432 2,433 1,434 1.4,436 2.275,437 1,438 2,439 1,440 3.286,441 1.984,442 1,443 1,445 2.136,446 0.983,447 1.853,448 0.849,449 3.247,450 1.724,451 0.74,452 0.803,454 1.797,455 0.727,456 1.416,457 0.651,458 3.013,459 1.2,460 0.22,461 0.253,463 0.581,464 0.215,465 1.183,466 0.412,467 2.783,468 0.976,474 13.367,475 0.477,476 0.602,477 0.021,478 34.25,479 1.223,480 16,481 0.571,482 18.25,483 0.652,484 24.905,485 0.889,486 29.833,487 0.563,488 21.919,489 0.783,490 6.363,491 0.227,492 7.38,493 0.264,494 0.025,496 0.329,501 0.64,502 1.197,503 0.801,504 1.043,505 0.499,506 0.957,507 0.752,508 1.167,509 0.92,510 1.07,511 0.518,512 1.017,513 0.973,514 1.112,515 1.08,516 1.111,517 0.944,518 1.106,519 0.805,520 1.028,521 0.964,522 1.029,523 0.521,524 1.016,525 0.968,526 0.859,527 0.874,528 0.856,529 0.861,530 0.858,531 0.877,532 0.982,533 1.062,534 1.009,535 0.66,536 1.04,537 0.885,538 0.966,539 1.078,540 1.074,541 0.669,542 1.099,543 0.896,544 0.998,545 1.013,546 1.02,547 0.89,548 1.041,549 5.5,550 0.114,551 2.444,552 1.646,553 1.213,554 0.601,555 0.447,556 0.329,557 0.157,558 0.152,559 12274,560 27665,561 2.223,562 47.2,563 3,564 13,567 1,568 4,569 4,572 1.702,573 2.154,574 3.666,575 -0.394,577 1,582 76.687,583 1.447,584 3.51,585 4.597,586 4.997,587 5.049,588 5.049,589 3.128,590 4.379,591 4.779,592 3.837,593 1450.54,594 8.264,595 20024.5,597 1,599 1,600 303.58,601 1.108,602 4.769,603 0.172,604 0.006,605 0.054,606 0.04,607 0.036,608 0.018,609 0.015,610 0.013,611 0.007,612 0.007,613 0.368,614 0.33,615 0.88,616 0.343,617 143.754,618 0.124,619 -0.033,620 0.079,621 0.015,622 0.072,623 0.035,624 0.04,625 -0.061,626 -0.002,627 -0.055,628 0.081,629 -0.036,630 -0.089,631 -0.101,632 -0.123,633 -0.119,634 -0.045,635 -0.123,636 -0.006,637 -0.083,638 0.016,639 -0.053,640 0.051,641 -0.02,642 0.056,643 0.072,644 0.135,645 0.109,646 0.01,647 0.125,648 0.041,649 0.019,650 -0.084,651 -0.042,652 0.03,653 -0.066,654 0.026,655 -0.008,656 -0.101,657 -0.089,658 0.017,659 -0.109,660 0.018,661 -0.084,662 -0.026,663 -0.032,664 -0.07,665 -0.04,666 1.612,667 4.598,668 0.857,669 30.087,670 0.994,671 1.122,672 3.122,673 9.745,674 0.666,675 3.497,676 3.829,677 4.111,678 4.407,679 4.625,680 4.7,681 4.898,682 5.063,683 5.043,684 5.118,685 7.593,686 0.628,687 375.51,688 3.497,689 5.043,690 5.9,691 6.781,692 7.653,693 8.539,694 9.419,695 10.309,696 11.195,697 12.087,698 5.7,701 1,705 1,708 1,714 2,715 7,716 1,718 1,720 4,722 16,741 53,743 17,744 2,745 32,747 57,748 23,749 13,750 5,751 7,756 5,757 8,767 3,768 1,770 5,772 14,773 9,774 1,777 1,782 1,786 1,790 1,793 25,794 5,795 1,796 5,801 1,802 3,808 0.6,809 2,828 2,829 3,832 2,835 1,843 1,855 1,859 3,868 28,876 8,877 1,880 1,881 1,893 3.8,896 1,898 1,901 13,902 9.4,903 6,904 3.474,907 3.074,908 1.378,909 1.023,910 4.815,911 11.212,912 3.738,913 4.327,914 4.893,915 5.503,916 6.016,917 6.318,918 6.763,919 7.152,920 7.151,921 7.299,922 0.889,923 41,924 10.399,926 4.528,927 0.026,929 7.536,931 20.599,933 17.912,936 2.036,937 57,939 1,940 1,941 282.506,942 109.322,943 40.732,945 34.879,948 109.322,949 317.385,950 40.732,952 37.001,953 66.334,954 49.446,955 27.316,956 4.836,957 282.506,959 282.506,960 150.054,961 34.879,964 235.422,965 81.963,968 42.882,969 87.575,970 19.597,972 282.506,973 75.611,974 109.322,977 282.506,978 42.988,979 69.458,980 18.011,981 54.476,982 282.506,983 75.611,984 109.322,986 0.583,987 0.335,988 0.185,989 0.101,990 24,991 9,992 0.088,993 5,994 2,995 1.167,996 4.245,997 244.075,998 0.167,999 24,1000 126.606,1005 17.752,1006 7.595,1007 3.821,1008 1.838,1009 75.611,1010 14.717,1011 4.312,1013 5.536,1015 4.336,1017 18.011,1018 467.439,1019 41,1024 11.598,1028 0.055,1031 52.68,1032 59.481,1034 0.253,1035 0.613,1036 0.803,1037 0.872,1038 0.881,1039 0.881,1040 4.984,1041 1.523,1042 5.872,1043 5.219,1044 4.511,1045 5.014,1046 2.249,1047 6.663,1048 4.48,1049 6.168,1050 1.416,1051 7.409,1052 4.518,1053 4.007,1054 4.783,1055 1.668,1056 7.466,1057 3.964,1058 7.464,1059 1.046,1060 9.041,1061 3.042,1062 6.084,1063 7.191,1064 3.142,1065 10.569,1066 6.022,1067 8.794,1068 1,1069 10.729,1070 2.82,1071 6.415,1072 7.844,1073 3.188,1074 12.233,1075 6.339,1076 10.159,1077 1,1078 12.455,1079 2.275,1080 7.932,1081 9.723,1082 4.321,1083 14.829,1084 7.841,1085 11.549,1086 0.74,1087 14.208,1088 2.136,1089 8.665,1090 10.814,1091 4.658,1092 16.872,1093 8.561,1094 12.961,1095 0.22,1096 15.981,1097 1.797,1098 9.946,1099 12.473,1100 5.603,1101 19.295,1102 9.829,1103 3.175,1105 17.771,1106 0.581,1107 10.88,1108 13.782,1109 6.092,1110 21.506,1111 10.753,1112 2.796,1113 10.6,1114 19.574,1116 12.061,1117 15.35,1118 6.928,1119 23.872,1120 11.923,1121 2.719,1122 9.051,1123 21.389,1124 4.551,1125 13.095,1126 16.765,1127 7.501,1128 26.158,1129 12.947,1130 2.468,1131 7.789,1132 23.212,1133 3.592,1134 14.239,1135 18.296,1136 8.273,1137 28.507,1138 14.081,1139 2.11,1140 6.969,1141 25.044,1142 3.457,1143 15.323,1144 19.762,1145 8.894,1146 30.827,1147 15.156,1148 1.978,1149 6.103,1150 26.883,1151 2.737,1152 16.455,1153 21.279,1154 9.631,1155 33.174,1156 16.279,1157 1.822,1158 5.819,1159 28.727,1160 2.617,1161 17.565,1162 22.77,1163 10.279,1164 35.511,1165 17.38,1166 11096,1167 16859,1168 22.364,1169 35.302,1170 48.161,1171 49.114,1172 48.394,1173 48.008,1174 48.027,1175 61.161,1176 6.799,1177 137.436,1178 47.314,1179 5.606,1180 5.687,1181 6.406,1182 5.2,1183 5.175,1184 7.551,1185 3.497,1186 17.446,1187 5.142,1188 7.226,1189 1.505,1190 1.535,1191 1.512,1192 1.5,1193 1.501,1194 1.911,1195 0.212,1196 4.295,1197 1.479,1198 4.132,1199 4.15,1200 4.102,1201 4.027,1202 7.429,1203 4.04,1204 3.95,1205 3.996,1206 3.864,1207 3.866,1208 5.255,1209 3.86,1210 3.823,1211 3.87,1212 3.713,1213 3.722,1214 4.756,1215 3.711,1216 3.676,1217 3.712,1218 3.619,1219 3.491,1220 4.492,1221 3.513,1222 3.387,1223 3.453,1224 3.248,1225 3.203,1226 4.32,1227 3.206,1228 3.13,1229 3.206,1230 2.995,1231 2.982,1232 3.962,1233 2.973,1234 3.111,1235 3.199,1236 2.887,1237 2.941,1238 3.773,1239 2.91,1240 2.968,1241 3.014,1242 2.866,1243 2.8,1244 3.674,1245 2.803,1246 0.144,1247 0.115,1248 0.206,1249 0.13,1250 0.099,1251 4.606,1252 0.142,1253 3.687,1254 0.062,1255 6.605,1256 0.331,1257 4.165,1258 0.098,1259 3.175,1260 4.551,1261 1.987,1262 10.6,1263 3.142,1264 1.948,1265 1.924,1266 2.105,1267 2.07,1268 1.487,1269 2.085,1270 1.921,1271 1.892,1272 2.025,1273 1.997,1274 1.229,1275 2.003,1276 1.829,1277 1.783,1278 1.978,1279 1.944,1280 1.152,1281 1.961,1282 1.521,1283 1.47,1284 1.737,1285 1.725,1286 1.01,1287 1.724,1288 1.396,1289 1.349,1290 1.585,1291 1.657,1292 0.825,1293 1.63,1294 1.204,1295 1.142,1296 1.513,1297 1.444,1298 0.774,1299 1.437,1300 1.153,1301 1.064,1302 1.454,1303 1.376,1304 0.669,1305 1.429,1306 0.992,1307 0.97,1308 1.215,1309 1.296,1310 0.426,1311 1.261,1312 4.174,1314 5.501,1315 3.045,1316 7.011,1317 5.416,1318 8.604,1319 7.506,1320 10.243,1328 8.383,1329 2.923,1332 0.743,1333 2.559,1340 33.289,1341 76.687,1342 186.035,1343 243.664,1344 264.825,1345 267.58,1346 267.58,1347 39.318,1348 8.138,1349 58.37,1350 58.37,1351 28,1352 12.616,1353 4.17,1354 3.322,1355 38.06,1356 130,1357 122,1358 0.142,1359 199.384,1360 341.42,1361 478.256,1362 44943,1364 18.924,1365 0.676,1366 0.571,1367 18.924,1368 15.987,1369 13.742,1370 0.429,1371 0.319,1372 10.116,1373 13.316,1374 9.918,1375 8.152,1376 13.742,1377 10.217,1378 12.533,1379 0.279,1380 0.18,1381 12.533,1382 8.104,1383 10.68,1384 0.178,1385 0.102,1386 10.68,1387 6.141,1388 9.208,1389 0.114,1390 0.056,1391 9.208,1392 4.502,1393 7.505,1394 0.074,1395 0.032,1396 7.505,1397 3.277,1398 0.231,1399 85.414,1400 0.211,1401 27.392,1402 0.367,1403 154,1404 387.094,1405 165.613,1406 376.157,1407 523.62,1408 354,1409 182,1410 398.026,1411 194.475,1412 400.49,1413 583.86,1414 378,1415 9.021}
{0 CHEMBL328715,1 1.382,2 12.48,3 4.493,4 20.185,5 103.894,6 6.71,7 0.571,8 3.999,9 4.128,10 3.497,11 3.551,12 4.971,13 3.506,14 4.563,15 4.753,16 3.806,17 3.959,18 5.43,19 3.88,20 4.859,21 5.107,22 3.782,23 4.08,24 5.614,25 3.943,26 4.924,27 5.212,28 3.608,29 4.003,30 5.604,31 3.831,32 4.806,33 5.105,34 3.464,35 3.879,36 5.465,37 3.709,38 4.676,39 4.95,40 3.413,41 3.848,42 5.361,43 3.678,44 4.642,45 4.92,46 3.374,47 3.796,48 5.319,49 3.623,50 4.54,51 4.809,52 3.293,53 3.677,54 5.267,55 3.519,56 0.102,57 0.724,58 11.631,59 4.779,60 10.112,61 6.713,62 0.165,63 1.212,64 21.225,65 8.026,66 16.234,67 11.536,68 0.253,69 1.491,70 29.305,71 10.887,72 24.356,73 15.978,74 0.272,75 1.509,76 32.01,77 11.152,78 25.924,79 16.683,80 0.286,81 1.333,82 28.642,83 9.631,84 24.297,85 14.552,86 0.229,87 1.198,88 24.638,89 9.205,90 19.666,91 13.458,92 0.167,93 1.135,94 23.717,95 9.08,96 17.993,97 13.261,98 0.229,99 1.016,100 21.718,101 7.902,102 20.148,103 11.368,105 37,106 0.233,107 0.53,108 0.675,109 0.786,110 0.837,111 0.837,112 3.266,113 0.989,114 -5.19,115 -5.08,116 -4.76,121 42,123 3,124 1,127 4,144 9,145 2,149 1,154 1,168 1,176 13,180 6,183 1,185 2,187 13,192 7,195 1,197 2,200 5,206 7,211 4,214 3,219 3,224 1,227 7,232 3,235 1,239 12,244 2,251 11,255 1,256 1,261 1,264 8,268 1,269 1,274 2,277 3,281 918,282 17.568,283 17.568,284 17.568,285 17.568,286 17.568,287 15.66,288 18.133,289 10.754,290 17.774,291 13.881,292 13.881,293 13.881,294 13.881,295 13.881,296 11.134,297 25.729,298 5.16,299 14.206,300 4.262,301 2.503,302 1.638,303 0.982,304 0.68,305 0.68,306 3.973,311 1,312 1,313 695,314 2.646,317 59.806,318 246.671,321 111.552,325 2.102,326 10.715,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 52.5,338 312,339 4.523,340 3.107,341 6.526,342 4.043,343 3.061,344 4.473,345 0.916,346 10.264,347 3.008,348 3.941,349 3.018,350 5.616,351 3.689,352 2.726,353 3.457,354 0.4,355 7.788,356 2.633,357 3.608,358 2.566,359 5.332,360 3.471,361 2.473,362 2.772,363 0.172,364 6.951,365 2.467,366 3.417,367 2.278,368 5.128,369 3.064,370 2.112,371 2.633,373 6.014,374 2.003,375 3.174,376 2.129,377 4.953,378 2.967,379 2.008,380 2.318,382 5.851,383 1.919,384 3.046,385 1.546,386 4.193,387 2.544,388 1.546,389 2.243,391 3.781,392 1.543,393 2.827,394 1.525,395 3.615,396 2.424,397 1.429,398 1.931,400 3.053,401 1.421,402 2.667,403 1.393,404 3.59,405 2.264,406 1.288,407 1.736,409 2.9,410 1.254,411 2.5,412 1.088,413 3.43,414 2.012,415 1.042,416 1.5,418 2.396,419 1.009,420 2.283,421 1.077,422 3.414,423 2,424 1,425 1.246,427 2.275,428 1,429 2,430 1,431 3.247,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.972,439 0.64,440 3.09,441 1.593,442 0.602,443 0.809,445 1.388,446 0.596,447 1.328,448 0.375,449 2.839,450 1.166,451 0.198,452 0.218,454 0.484,455 0.192,456 1.002,457 -0.007,458 2.544,459 0.785,460 -0.184,461 -0.208,463 -0.457,464 -0.178,465 0.69,466 -0.466,467 2,468 0.394,469 -0.591,470 -0.679,472 -1.338,473 -0.582,474 12.033,475 0.481,476 0.376,477 0.015,478 30.5,479 1.22,480 14.5,481 0.58,482 16,483 0.64,484 20.696,485 0.828,486 26.967,487 0.539,488 18.325,489 0.733,490 5.834,491 0.233,492 6.548,493 0.262,496 0.241,501 0.742,502 1.256,503 0.874,504 1.091,505 0.671,506 1.009,507 1.018,508 1.154,509 1.037,510 1.099,511 0.785,512 1.066,513 0.837,514 1.137,515 1.019,516 1.103,517 0.713,518 1.081,519 1.034,520 1.058,521 1.004,522 1.004,523 0.903,524 1,525 1.144,526 0.833,527 0.985,528 0.819,529 1.071,530 0.868,531 0.896,532 0.888,533 1.054,534 0.984,535 1.041,536 1.024,537 0.762,538 0.984,539 0.962,540 1.029,541 1.001,542 1.017,543 1.27,544 0.887,545 1.063,546 0.968,547 1.347,548 0.997,549 3.5,550 0.073,551 2,552 1.104,553 0.636,554 0.274,555 0.322,556 0.233,557 0.108,558 0.059,559 9147,560 19270,561 2.204,562 50,563 1,564 17,567 1,569 6,572 1.67,573 2.174,574 3.591,575 -0.396,577 1,582 69.103,583 1.382,584 3.14,585 4.006,586 4.661,587 4.964,588 4.964,589 3.049,590 4.324,591 4.617,592 3.775,593 1132.47,594 7.929,595 14739.4,597 1,599 1,600 282.193,601 0.795,602 4.619,603 0.125,604 0.005,605 0.054,606 0.032,607 0.024,608 0.011,609 0.014,610 0.011,611 0.005,612 0.003,613 0.285,614 0.33,615 1,617 124.595,618 0.211,619 -0.064,620 0.083,621 -0.009,622 0.238,623 0.018,624 -0.021,625 -0.025,626 -0.065,627 -0.083,628 0.076,629 -0.076,630 0.059,631 -0.131,632 -0.048,633 -0.116,634 0.135,635 -0.096,636 -0.044,637 -0.111,638 -0.016,639 -0.057,640 0.037,641 -0.038,642 -0.117,643 0.12,644 0.012,645 0.109,646 -0.114,647 0.081,648 -0.052,649 0.081,650 -0.085,651 -0.008,652 -0.177,653 -0.042,654 0.002,655 -0.05,657 -0.04,658 -0.104,659 -0.023,660 -0.071,661 0.059,662 -0.066,664 -0.203,665 -0.029,666 0.82,667 1.843,668 0.84,669 25.149,670 0.987,671 1.125,672 3.959,673 15.676,674 0.657,675 3.367,676 3.638,677 3.892,678 4.127,679 4.29,680 4.22,681 4.317,682 4.407,683 4.369,684 4.443,685 7.345,686 0.611,687 335.49,688 3.367,689 4.875,690 5.707,691 6.555,692 7.399,693 8.252,694 9.102,695 9.957,696 10.809,697 11.666,698 6,701 1,703 1,708 1,714 2,715 9,716 1,718 1,720 2,722 16,734 1,741 50,743 16,744 2,745 28,747 53,748 21,749 13,750 3,751 9,756 4,757 5,767 2,768 1,770 3,772 13,773 8,774 1,790 1,793 25,794 4,795 1,796 4,801 1,802 3,808 0.75,809 1,828 1,829 3,832 1,855 1,859 3,868 25,876 7,877 1,880 1,881 1,893 2,898 1,901 11.5,902 8.65,903 5.556,904 3.224,907 2.838,908 1.386,909 0.999,910 5.217,911 10.19,912 3.611,913 4.155,914 4.717,915 5.274,916 5.7,917 5.78,918 6.085,919 6.37,920 6.025,921 6.142,922 1,923 34,924 9.252,926 3.87,927 0.026,929 7.4,931 18.495,933 15.553,936 1.9,937 47.5,939 1,940 1,941 282.506,942 114.235,943 40.732,945 9.734,948 114.235,949 292.241,950 40.732,952 16.026,953 85.286,954 37.607,955 18.617,956 7.164,957 282.506,959 282.506,960 154.967,961 9.734,964 211.88,965 80.361,968 19.151,969 98.209,970 37.607,972 282.506,973 50.466,974 114.235,977 282.506,978 28.949,979 88.411,980 18.011,981 29.331,982 282.506,983 50.466,984 114.235,986 0.565,987 0.327,988 0.18,989 0.095,990 18,991 6,992 0.113,993 6,994 1,995 1.095,996 4.037,997 196.112,998 0.095,999 21,1000 108.096,1005 16.467,1006 7.92,1007 4.159,1008 1.916,1009 50.466,1010 18.778,1011 4.143,1013 5.343,1015 2.289,1017 18.011,1018 447.208,1019 36,1031 49.352,1032 56.272,1034 0.245,1035 0.556,1036 0.71,1037 0.826,1038 0.88,1039 0.88,1040 4.812,1041 1.288,1042 5.638,1043 3.053,1044 4.317,1045 4.84,1046 1.038,1047 6.372,1048 4.272,1049 5.961,1050 1.042,1051 7.136,1052 2.9,1053 3.611,1054 4.388,1055 0.325,1056 7.096,1057 3.533,1058 7.225,1059 1,1060 8.735,1061 2.396,1062 5.826,1063 6.983,1064 0.697,1065 10.19,1066 5.736,1067 8.527,1068 1,1069 10.398,1070 2.275,1071 6.019,1072 7.52,1073 0.393,1074 11.84,1075 5.902,1076 9.869,1077 0.602,1078 12.104,1079 2.136,1080 7.613,1081 9.501,1082 0.537,1083 14.405,1084 7.484,1085 11.241,1086 0.198,1087 13.843,1088 1.388,1089 8.252,1090 10.537,1091 0.384,1092 16.445,1093 8.101,1094 12.637,1095 -0.184,1096 15.606,1097 0.484,1098 9.567,1099 12.246,1100 0.438,1101 18.841,1102 9.401,1103 3.061,1104 -0.591,1105 17.387,1106 -0.457,1107 10.436,1108 13.528,1109 0.351,1110 21.048,1111 10.25,1112 2.726,1113 10.264,1114 19.184,1115 -1.338,1116 11.624,1117 15.115,1118 0.366,1119 23.392,1120 11.422,1121 2.473,1122 7.788,1123 20.993,1124 4.473,1125 12.61,1126 16.513,1127 0.312,1128 25.668,1129 12.39,1130 2.112,1131 6.951,1132 22.812,1133 3.457,1134 13.744,1135 18.047,1136 0.309,1137 27.998,1138 13.507,1139 2.008,1140 6.014,1141 24.64,1142 2.772,1143 14.788,1144 19.498,1145 0.273,1146 30.303,1147 14.534,1148 1.546,1149 5.851,1150 26.475,1151 2.633,1152 15.901,1153 21.011,1154 0.262,1155 32.629,1156 15.63,1157 1.429,1158 3.781,1159 28.317,1160 2.318,1161 16.975,1162 22.487,1163 0.236,1164 34.947,1165 16.687,1166 8400,1167 12340,1168 19.761,1169 32.847,1170 41.143,1171 40.996,1172 41.233,1173 41,1174 40.971,1175 52.671,1176 2.978,1177 110.561,1178 40.056,1179 5.523,1180 5.107,1181 6.328,1182 5.078,1183 5.061,1184 7.473,1185 1.605,1186 16.912,1187 5.008,1189 1.469,1190 1.464,1191 1.473,1192 1.464,1193 1.463,1194 1.881,1195 0.106,1196 3.949,1197 1.431,1198 4.083,1199 4.104,1200 4.05,1201 3.964,1202 5.271,1203 3.979,1204 3.952,1205 3.998,1206 3.865,1207 3.866,1208 4.756,1209 3.861,1210 3.823,1211 3.871,1212 3.707,1213 3.721,1214 4.469,1215 3.71,1216 3.504,1217 3.584,1218 3.373,1219 3.31,1220 4.339,1221 3.315,1222 3.304,1223 3.361,1224 3.2,1225 3.118,1226 4.144,1227 3.129,1228 3.13,1229 3.206,1230 2.976,1231 2.956,1232 3.818,1233 2.947,1234 3.111,1235 3.2,1236 2.866,1237 2.941,1238 3.674,1239 2.91,1240 2.921,1241 2.976,1242 2.792,1243 2.776,1244 3.665,1245 2.775,1246 0.162,1247 0.111,1248 0.233,1249 0.144,1250 0.109,1251 4.523,1252 0.16,1253 3.107,1254 0.033,1255 6.526,1256 0.367,1257 4.043,1258 0.107,1259 3.061,1260 4.473,1261 0.916,1262 10.264,1263 3.008,1264 1.936,1265 1.902,1266 2.101,1267 2.069,1268 1.481,1269 2.084,1270 1.916,1271 1.892,1272 2.022,1273 2.001,1274 1.167,1275 2.007,1276 1.835,1277 1.786,1278 2.002,1279 1.951,1280 1.122,1281 1.971,1282 1.492,1283 1.416,1284 1.738,1285 1.747,1286 0.989,1287 1.742,1288 1.242,1289 1.183,1290 1.513,1291 1.503,1292 0.825,1293 1.479,1294 1.153,1295 1.064,1296 1.469,1297 1.376,1298 0.684,1299 1.429,1300 1.089,1301 1.029,1302 1.31,1303 1.336,1304 0.445,1305 1.334,1306 0.929,1307 0.902,1308 1.181,1309 1.146,1310 0.323,1311 1.149,1312 4.043,1314 5.323,1315 2.398,1316 6.799,1317 4.727,1318 8.359,1319 6.823,1320 9.961,1328 8.206,1329 3.448,1332 0.803,1333 2.574,1340 30.574,1341 69.103,1342 157.021,1343 200.279,1344 233.073,1345 248.193,1346 248.193,1347 29.837,1348 7.352,1349 41.3,1350 41.3,1351 23,1352 12.22,1353 4.087,1354 3.17,1355 36.36,1356 112,1357 96,1358 0.155,1359 186.523,1360 313.03,1361 446.877,1362 17710,1364 16.899,1365 0.676,1366 0.581,1367 16.899,1368 14.526,1369 12.382,1370 0.442,1371 0.33,1372 9.137,1373 12.023,1374 8.962,1375 7.427,1376 12.382,1377 9.229,1378 10.603,1379 0.287,1380 0.188,1381 10.603,1382 6.948,1383 9.027,1384 0.188,1385 0.108,1386 9.027,1387 5.179,1388 7.535,1389 0.124,1390 0.06,1391 7.535,1392 3.683,1393 6.014,1394 0.084,1395 0.037,1396 6.014,1397 2.65,1398 0.255,1399 76.722,1400 0.225,1401 25.138,1402 0.396,1403 130,1404 305.359,1405 139.121,1406 299.826,1407 422.38,1408 284,1409 150,1410 324.826,1411 160.703,1412 327.277,1413 473.73,1414 309,1415 6.09}
{0 CHEMBL329012,1 1.447,2 13.179,3 3.668,4 13.452,5 109.68,6 7.085,7 0.5,8 4.075,9 4.194,10 3.62,11 3.646,12 5.077,13 3.612,14 4.657,15 4.831,16 3.985,17 4.085,18 5.587,19 4.022,20 4.952,21 5.176,22 3.952,23 4.211,24 5.808,25 4.096,26 5.022,27 5.293,28 3.809,29 4.153,30 5.771,31 3.998,32 4.904,33 5.177,34 3.752,35 4.023,36 5.68,37 3.889,38 4.775,39 5.019,40 3.675,41 3.968,42 5.622,43 3.837,44 4.75,45 5.005,46 3.556,47 3.91,48 5.552,49 3.757,50 4.646,51 4.912,52 3.387,53 3.781,54 5.392,55 3.617,56 0.082,57 0.768,58 11.593,59 5.096,60 8.221,61 6.85,62 0.161,63 1.32,64 22.117,65 8.882,66 17.302,67 12.315,68 0.247,69 1.644,70 31.568,71 12.013,72 32.867,73 16.851,74 0.331,75 1.68,76 35.359,77 13.002,78 34.822,79 18.802,80 0.31,81 1.47,82 31.769,83 11.487,84 33.795,85 16.401,86 0.343,87 1.34,88 27.147,89 9.875,90 35.369,91 14.064,92 0.304,93 1.276,94 26.702,95 10.025,96 32.619,97 14.175,98 0.277,99 1.122,100 24.374,101 9.144,102 28.104,103 12.966,104 2,105 45,106 0.239,107 0.581,108 0.761,109 0.827,110 0.835,111 0.835,112 3.374,113 0.958,114 -4.35,115 -4.29,116 -4.04,121 43.4,123 5,124 1,127 3,144 7,145 3,146 1,148 1,154 1,160 1,168 1,176 13,180 8,183 1,185 3,187 15,192 9,197 1,200 10,206 9,209 1,211 1,214 6,219 8,222 1,227 11,231 1,232 2,237 1,239 12,243 2,244 2,249 1,251 12,255 1,256 2,261 1,264 7,269 4,274 2,277 4,281 1206,282 19.411,283 19.411,284 19.411,285 19.411,286 19.411,287 17.375,288 22.449,289 11.51,290 19.579,291 15.869,292 15.869,293 15.869,294 15.869,295 15.869,296 12.746,297 26.863,298 5.574,299 16.128,300 4.281,301 2.218,302 1.13,303 0.731,304 0.679,305 0.679,306 4.091,310 1,311 1,312 1,313 837,314 2.739,317 120.003,318 246.035,321 202.894,324 140.263,325 2.048,326 19.351,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 59.5,338 369,339 4.606,340 3.687,341 6.605,342 4.165,343 3.175,344 4.551,345 1.987,346 10.6,347 3.143,348 4.114,349 3.176,350 6.135,351 3.78,352 2.796,353 3.592,354 0.916,355 9.051,356 2.75,357 3.941,358 3.017,359 5.617,360 3.683,361 2.719,362 3.457,363 0.324,364 7.789,365 2.628,366 3.61,367 2.713,368 5.343,369 3.467,370 2.468,371 2.737,372 0.172,373 6.969,374 2.465,375 3.42,376 2.552,377 5.132,378 3.08,379 2.11,380 2.617,382 6.103,383 2.05,384 3.279,385 2.253,386 4.947,387 2.97,388 1.978,389 2.508,391 5.819,392 1.942,393 3.16,394 2.05,395 4.786,396 2.832,397 1.822,398 2.241,400 5.219,401 1.83,402 2.883,403 1.76,404 4.539,405 2.505,406 1.523,407 2.017,409 4.518,410 1.492,411 2.811,412 1.515,413 3.915,414 2.41,415 1.416,416 1.904,418 3.042,419 1.405,420 2.5,421 1.198,422 3.594,423 2.031,424 1.046,425 1.5,427 2.82,428 1.028,429 2.426,430 1.077,431 3.414,432 2,433 1,434 1.4,436 2.275,437 1,438 2,439 1,440 3.286,441 1.984,442 1,443 1,445 2.136,446 0.983,447 1.853,448 0.828,449 3.247,450 1.723,451 0.74,452 0.803,454 1.797,455 0.726,456 1.416,457 0.653,458 3.013,459 1.2,460 0.22,461 0.253,463 0.581,464 0.215,465 1.183,466 0.415,467 2.783,468 0.976,474 13.367,475 0.477,476 0.602,477 0.021,478 34.25,479 1.223,480 16,481 0.571,482 18.25,483 0.652,484 24.933,485 0.89,486 29.833,487 0.563,488 21.891,489 0.782,490 6.363,491 0.227,492 7.38,493 0.264,494 0.025,496 0.329,501 0.64,502 1.197,503 0.801,504 1.043,505 0.499,506 0.957,507 0.752,508 1.167,509 0.92,510 1.07,511 0.518,512 1.017,513 0.973,514 1.112,515 1.08,516 1.111,517 0.944,518 1.106,519 0.758,520 0.996,521 0.962,522 1.014,523 0.508,524 1.012,525 0.934,526 0.884,527 0.864,528 0.883,529 0.848,530 0.87,531 0.905,532 0.999,533 1.069,534 1.031,535 0.665,536 1.057,537 0.87,538 0.95,539 1.06,540 1.055,541 0.656,542 1.08,543 0.908,544 0.951,545 1.019,546 0.996,547 0.896,548 1.028,549 5.5,550 0.114,551 2.444,552 1.646,553 1.213,554 0.601,555 0.447,556 0.329,557 0.157,558 0.152,559 12274,560 27743,561 2.223,562 47.2,563 3,564 13,567 1,568 4,569 4,572 1.702,573 2.154,574 3.666,575 -0.394,577 1,582 76.687,583 1.447,584 3.51,585 4.597,586 4.997,587 5.049,588 5.049,589 3.128,590 4.379,591 4.779,592 3.837,593 1450.54,594 8.264,595 20024.5,597 1,599 1,600 303.58,601 1.108,602 4.769,603 0.172,604 0.006,605 0.054,606 0.04,607 0.036,608 0.018,609 0.015,610 0.013,611 0.007,612 0.007,613 0.368,614 0.33,615 0.88,616 0.343,617 143.754,618 0.124,619 -0.033,620 0.079,621 0.015,622 0.072,623 0.035,624 0.04,625 -0.061,626 -0.002,627 -0.055,628 0.081,629 -0.036,630 -0.089,631 -0.101,632 -0.123,633 -0.119,634 -0.045,635 -0.123,636 0.042,637 -0.05,638 0.018,639 -0.038,640 0.065,641 -0.017,642 0.019,643 0.045,644 0.136,645 0.09,646 0.003,647 0.121,648 0.039,649 -0.011,650 -0.09,651 -0.057,652 0.031,653 -0.08,654 0.032,655 0.002,656 -0.081,657 -0.072,658 0.024,659 -0.089,660 0.006,661 -0.036,662 -0.032,663 -0.007,664 -0.076,665 -0.027,666 1.612,667 4.598,668 0.857,669 30.087,670 0.994,671 1.122,672 3.122,673 9.745,674 0.666,675 3.497,676 3.829,677 4.111,678 4.407,679 4.625,680 4.7,681 4.898,682 5.063,683 5.043,684 5.118,685 7.593,686 0.628,687 375.51,688 3.497,689 5.043,690 5.9,691 6.781,692 7.653,693 8.539,694 9.419,695 10.309,696 11.195,697 12.087,698 5.7,701 1,705 1,708 1,714 2,715 7,716 1,718 1,720 4,722 16,741 53,743 17,744 2,745 32,747 57,748 23,749 13,750 5,751 7,756 5,757 8,767 3,768 1,770 5,772 14,773 9,774 1,777 1,782 1,786 1,790 1,793 25,794 5,795 1,796 5,801 1,802 3,808 0.6,809 2,828 2,829 3,832 2,835 1,843 1,855 1,859 3,868 28,876 8,877 1,880 1,881 1,893 3.8,896 1,898 1,901 13,902 9.4,903 6,904 3.474,907 3.074,908 1.378,909 1.023,910 4.815,911 11.212,912 3.738,913 4.327,914 4.893,915 5.503,916 6.016,917 6.318,918 6.763,919 7.152,920 7.151,921 7.299,922 0.889,923 41,924 10.399,926 4.527,927 0.026,929 7.536,931 20.599,933 17.912,936 2.036,937 57,939 1,940 1,941 282.506,942 109.322,943 40.732,945 34.879,948 109.322,949 317.385,950 40.732,952 37.001,953 66.334,954 49.446,955 27.316,956 4.836,957 282.506,959 282.506,960 150.054,961 34.879,964 235.422,965 81.963,968 42.882,969 87.575,970 19.597,972 282.506,973 75.611,974 109.322,977 282.506,978 42.988,979 69.458,980 18.011,981 54.476,982 282.506,983 75.611,984 109.322,986 0.583,987 0.335,988 0.185,989 0.101,990 24,991 9,992 0.088,993 5,994 2,995 1.167,996 4.245,997 244.075,998 0.167,999 24,1000 126.606,1005 17.752,1006 7.595,1007 3.821,1008 1.838,1009 75.611,1010 14.72,1011 4.312,1013 5.523,1015 4.349,1017 18.011,1018 467.439,1019 41,1024 11.598,1028 0.055,1031 52.68,1032 59.481,1034 0.253,1035 0.613,1036 0.803,1037 0.872,1038 0.881,1039 0.881,1040 4.984,1041 1.523,1042 5.872,1043 5.219,1044 4.511,1045 5.014,1046 2.249,1047 6.663,1048 4.48,1049 6.168,1050 1.416,1051 7.409,1052 4.518,1053 4.007,1054 4.783,1055 1.668,1056 7.466,1057 3.964,1058 7.464,1059 1.046,1060 9.041,1061 3.042,1062 6.084,1063 7.191,1064 3.142,1065 10.569,1066 6.022,1067 8.794,1068 1,1069 10.729,1070 2.82,1071 6.415,1072 7.844,1073 3.188,1074 12.233,1075 6.339,1076 10.159,1077 1,1078 12.455,1079 2.275,1080 7.932,1081 9.723,1082 4.321,1083 14.829,1084 7.841,1085 11.549,1086 0.74,1087 14.208,1088 2.136,1089 8.665,1090 10.814,1091 4.658,1092 16.872,1093 8.561,1094 12.961,1095 0.22,1096 15.981,1097 1.797,1098 9.946,1099 12.473,1100 5.603,1101 19.295,1102 9.829,1103 3.175,1105 17.771,1106 0.581,1107 10.88,1108 13.782,1109 6.092,1110 21.506,1111 10.753,1112 2.796,1113 10.6,1114 19.574,1116 12.061,1117 15.35,1118 6.928,1119 23.872,1120 11.923,1121 2.719,1122 9.051,1123 21.389,1124 4.551,1125 13.095,1126 16.765,1127 7.501,1128 26.158,1129 12.947,1130 2.468,1131 7.789,1132 23.212,1133 3.592,1134 14.239,1135 18.296,1136 8.273,1137 28.507,1138 14.081,1139 2.11,1140 6.969,1141 25.044,1142 3.457,1143 15.323,1144 19.762,1145 8.894,1146 30.827,1147 15.156,1148 1.978,1149 6.103,1150 26.883,1151 2.737,1152 16.455,1153 21.279,1154 9.631,1155 33.174,1156 16.28,1157 1.822,1158 5.819,1159 28.727,1160 2.617,1161 17.565,1162 22.77,1163 10.279,1164 35.511,1165 17.381,1166 11096,1167 16889,1168 22.364,1169 35.302,1170 48.161,1171 49.114,1172 48.394,1173 48.008,1174 48.027,1175 61.161,1176 6.799,1177 137.436,1178 47.314,1179 5.606,1180 5.687,1181 6.406,1182 5.2,1183 5.175,1184 7.551,1185 3.497,1186 17.446,1187 5.143,1188 7.226,1189 1.505,1190 1.535,1191 1.512,1192 1.5,1193 1.501,1194 1.911,1195 0.212,1196 4.295,1197 1.479,1198 4.132,1199 4.15,1200 4.102,1201 4.027,1202 7.429,1203 4.041,1204 3.95,1205 3.996,1206 3.864,1207 3.866,1208 5.255,1209 3.86,1210 3.823,1211 3.87,1212 3.713,1213 3.721,1214 4.756,1215 3.711,1216 3.675,1217 3.711,1218 3.619,1219 3.487,1220 4.489,1221 3.511,1222 3.389,1223 3.454,1224 3.249,1225 3.208,1226 4.32,1227 3.21,1228 3.134,1229 3.206,1230 2.998,1231 2.995,1232 3.967,1233 2.984,1234 3.111,1235 3.202,1236 2.879,1237 2.941,1238 3.799,1239 2.91,1240 2.945,1241 3.002,1242 2.866,1243 2.802,1244 3.674,1245 2.792,1246 0.144,1247 0.115,1248 0.206,1249 0.13,1250 0.099,1251 4.606,1252 0.142,1253 3.687,1254 0.062,1255 6.605,1256 0.331,1257 4.165,1258 0.098,1259 3.175,1260 4.551,1261 1.987,1262 10.6,1263 3.143,1264 1.949,1265 1.925,1266 2.106,1267 2.07,1268 1.487,1269 2.085,1270 1.921,1271 1.892,1272 2.025,1273 1.997,1274 1.232,1275 2.004,1276 1.829,1277 1.782,1278 1.979,1279 1.944,1280 1.152,1281 1.961,1282 1.502,1283 1.443,1284 1.728,1285 1.718,1286 1.003,1287 1.715,1288 1.418,1289 1.383,1290 1.59,1291 1.667,1292 0.825,1293 1.643,1294 1.215,1295 1.152,1296 1.513,1297 1.443,1298 0.758,1299 1.44,1300 1.153,1301 1.064,1302 1.462,1303 1.376,1304 0.681,1305 1.429,1306 0.981,1307 0.928,1308 1.237,1309 1.288,1310 0.448,1311 1.244,1312 4.174,1314 5.501,1315 3.045,1316 7.011,1317 5.416,1318 8.604,1319 7.506,1320 10.243,1328 8.425,1329 2.873,1332 0.747,1333 2.56,1340 33.289,1341 76.687,1342 186.035,1343 243.664,1344 264.825,1345 267.58,1346 267.58,1347 39.232,1348 8.138,1349 58.37,1350 58.37,1351 28,1352 12.616,1353 4.17,1354 3.322,1355 38.06,1356 130,1357 122,1358 0.142,1359 199.384,1360 341.42,1361 478.256,1362 44943,1364 18.924,1365 0.676,1366 0.571,1367 18.924,1368 15.987,1369 13.742,1370 0.429,1371 0.319,1372 10.116,1373 13.316,1374 9.918,1375 8.152,1376 13.742,1377 10.217,1378 12.533,1379 0.279,1380 0.18,1381 12.533,1382 8.104,1383 10.68,1384 0.178,1385 0.102,1386 10.68,1387 6.141,1388 9.208,1389 0.114,1390 0.056,1391 9.208,1392 4.505,1393 7.505,1394 0.074,1395 0.033,1396 7.505,1397 3.287,1398 0.231,1399 85.414,1400 0.211,1401 27.392,1402 0.367,1403 154,1404 387.094,1405 165.613,1406 376.157,1407 523.62,1408 354,1409 182,1410 398.026,1411 194.475,1412 400.49,1413 583.86,1414 378,1415 9.481}
{0 CHEMBL329231,1 1.429,2 13.793,3 4.124,4 17.007,5 114.281,6 6.956,7 0.485,8 4.123,9 4.244,10 3.651,11 3.691,12 5.109,13 3.652,14 4.709,15 4.888,16 4.01,17 4.129,18 5.621,19 4.06,20 5.023,21 5.252,22 4.017,23 4.279,24 5.861,25 4.162,26 5.094,27 5.361,28 3.87,29 4.225,30 5.864,31 4.071,32 4.975,33 5.251,34 3.807,35 4.104,36 5.729,37 3.961,38 4.858,39 5.1,40 3.771,41 4.042,42 5.718,43 3.916,44 4.813,45 5.067,46 3.6,47 3.96,48 5.623,49 3.809,50 4.7,51 4.974,52 3.425,53 3.842,54 5.384,55 3.668,56 0.089,57 0.808,58 12.516,59 5.449,60 8.464,61 7.4,62 0.173,63 1.387,64 23.76,65 9.491,66 17.686,67 13.287,68 0.264,69 1.764,70 34.186,71 12.93,72 32.945,73 18.332,74 0.384,75 1.799,76 38.002,77 13.758,78 39.408,79 19.884,80 0.304,81 1.578,82 33.863,83 12.46,84 33.377,85 17.926,86 0.372,87 1.446,88 29.652,89 10.63,90 38.464,91 15.157,92 0.356,93 1.351,94 28.622,95 10.422,96 35.776,97 14.75,98 0.253,99 1.189,100 25.545,101 9.782,102 22.353,103 14.067,104 2,105 46,106 0.234,107 0.56,108 0.742,109 0.832,110 0.84,111 0.84,112 3.408,113 0.974,114 -4.56,115 -4.49,116 -4.22,121 42.9,123 6,124 1,127 3,144 7,145 3,146 1,148 1,154 1,160 1,168 1,176 14,180 8,183 1,185 3,187 16,192 9,197 2,200 11,206 9,209 1,211 1,214 8,219 8,222 1,227 11,231 1,232 5,237 1,239 13,243 2,244 1,249 1,251 13,255 1,256 2,261 1,264 8,269 4,274 2,277 6,281 1352,282 20.118,283 20.118,284 20.118,285 20.118,286 20.118,287 18.082,288 22.155,289 11.96,290 20.286,291 16.352,292 16.352,293 16.352,294 16.352,295 16.352,296 13.203,297 24.18,298 5.782,299 16.61,300 4.378,301 2.384,302 1.275,303 0.728,304 0.679,305 0.679,306 4.125,311 1,312 1,313 902,314 2.739,317 56.918,318 327.136,321 98.941,322 115.776,325 2.145,326 19.863,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 61.5,338 400,339 4.599,340 3.621,341 6.599,342 4.151,343 3.16,344 4.548,345 1.907,346 10.575,347 3.129,348 4.066,349 3.205,350 6.089,351 3.739,352 2.758,353 3.544,354 0.916,355 8.873,356 2.705,357 3.941,358 3.018,359 5.617,360 3.68,361 2.714,362 3.457,363 0.172,364 7.789,365 2.626,366 3.61,367 2.795,368 5.342,369 3.466,370 2.468,371 2.726,372 0.149,373 6.967,374 2.464,375 3.498,376 2.556,377 5.121,378 3.146,379 2.138,380 2.679,382 6.053,383 2.151,384 3.347,385 2.258,386 4.963,387 3.043,388 2.07,389 2.611,391 5.815,392 1.999,393 3.16,394 2.071,395 4.945,396 2.905,397 1.918,398 2.24,400 5.804,401 1.887,402 2.885,403 1.788,404 4.511,405 2.529,406 1.55,407 2.019,409 4.475,410 1.514,411 2.812,412 1.516,413 3.941,414 2.411,415 1.417,416 1.905,418 3.046,419 1.407,420 2.5,421 1.285,422 3.594,423 2.145,424 1.157,425 1.5,427 3.02,428 1.142,429 2.491,430 1.077,431 3.414,432 2,433 1,434 1.488,436 2.275,437 1,438 2,439 1,440 3.298,441 1.984,442 1,443 1,445 2.136,446 0.983,447 1.941,448 0.936,449 3.247,450 1.769,451 0.783,452 0.877,454 1.86,455 0.771,456 1.666,457 0.833,458 3.1,459 1.429,460 0.428,461 0.513,463 1.058,464 0.427,465 1.264,466 0.44,467 2.797,468 1.057,469 0.076,470 0.085,472 0.192,473 0.074,474 13.867,475 0.478,476 0.602,477 0.021,478 34.75,479 1.198,480 16,481 0.552,482 18.75,483 0.647,484 26.872,485 0.927,486 31.133,487 0.556,488 22.456,489 0.774,490 6.363,491 0.219,492 7.88,493 0.272,494 0.024,496 0.317,501 0.643,502 1.209,503 0.823,504 1.061,505 0.5,506 0.977,507 0.751,508 1.18,509 0.937,510 1.089,511 0.517,512 1.036,513 0.961,514 1.113,515 1.052,516 1.091,517 0.934,518 1.081,519 0.917,520 0.997,521 1.024,522 1.015,523 0.793,524 1.028,525 0.839,526 0.9,527 0.852,528 0.902,529 0.677,530 0.884,531 1.036,532 1.029,533 1.072,534 1.035,535 0.842,536 1.049,537 1.09,538 0.939,539 1.125,540 1.035,541 0.736,542 1.079,543 0.706,544 0.965,545 0.963,546 1.009,547 0.506,548 1.022,549 5.5,550 0.115,551 2.667,552 1.292,553 1.591,554 0.604,555 0.456,556 0.345,557 0.19,558 0.118,559 13414,560 29667,561 2.215,562 48.2,563 5,564 13,567 1,568 4,569 4,572 1.711,573 2.148,574 3.721,575 -0.405,577 1,582 80.036,583 1.429,584 3.423,585 4.532,586 5.08,587 5.129,588 5.129,589 3.237,590 4.444,591 4.828,592 3.889,593 1579.12,594 8.365,595 22393.5,597 1,599 1,600 325.212,601 1.091,602 4.82,603 0.167,604 0.005,605 0.058,606 0.029,607 0.044,608 0.017,609 0.014,610 0.013,611 0.008,612 0.005,613 0.361,614 0.33,615 0.88,616 0.335,617 150.739,618 0.128,619 -0.033,620 0.079,621 0.014,622 0.077,623 0.034,624 0.045,625 -0.069,626 -0.006,627 -0.063,628 0.085,629 -0.043,630 -0.076,631 -0.095,632 -0.09,633 -0.096,634 -0.045,635 -0.094,636 -0.01,637 -0.037,638 -0.04,639 -0.045,640 -0.008,641 -0.046,642 0.04,643 0.035,644 0.135,645 0.073,646 0.041,647 0.108,648 0.027,649 -0.034,650 -0.083,651 -0.064,652 0.003,653 -0.079,654 -0.031,655 0.027,656 -0.133,657 -0.063,658 -0.004,659 -0.104,660 0.058,661 -0.044,662 0.006,663 -0.015,664 -0.003,665 -0.016,666 1.588,667 4.609,668 0.862,669 32.728,670 0.992,671 1.123,672 3.333,673 11.108,674 0.662,675 3.526,676 3.85,677 4.127,678 4.407,679 4.673,680 4.736,681 4.898,682 5.088,683 5.147,684 5.17,685 7.823,686 0.622,687 389.54,688 3.526,689 5.069,690 5.922,691 6.797,692 7.665,693 8.546,694 9.422,695 10.307,696 11.188,697 12.076,698 5.4,701 1,705 1,708 1,714 2,715 7,716 1,718 1,720 4,722 16,741 56,743 17,744 2,745 33,747 60,748 24,749 13,750 5,751 7,756 5,757 8,767 4,768 1,770 6,772 14,773 10,774 1,777 1,782 1,786 1,790 1,793 27,794 5,795 1,796 5,801 1,802 3,808 0.6,809 2,828 1,829 4,832 1,833 1,843 1,855 1,859 3,868 29,876 9,877 1,880 1,881 1,893 3.6,896 1,898 1,901 13.5,902 9.9,903 6.25,904 3.724,907 3.065,908 1.372,909 1.017,910 5.281,911 11.305,912 3.761,913 4.341,914 4.901,915 5.491,916 6.023,917 6.318,918 6.727,919 7.132,920 7.202,921 7.309,922 1,923 44,924 10.778,926 4.668,927 0.026,929 7.517,931 21.416,933 18.579,936 2.017,937 58.5,939 1,940 1,941 306.049,942 111.857,943 40.732,945 34.879,948 111.857,949 340.928,950 40.732,952 39.535,953 66.334,954 49.446,955 27.316,956 4.836,957 306.049,959 306.049,960 152.588,961 34.879,964 258.964,965 81.963,968 45.416,969 87.575,970 19.597,972 306.049,973 75.611,974 111.857,977 306.049,978 45.523,979 69.458,980 18.011,981 54.476,982 306.049,983 75.611,984 111.857,986 0.581,987 0.333,988 0.182,989 0.104,990 24,991 9,992 0.083,993 5,994 2,995 1.16,996 4.321,997 255.219,998 0.16,999 25,1000 132.881,1005 18.688,1006 8.195,1007 4.18,1008 1.889,1009 75.611,1010 14.844,1011 4.343,1013 5.564,1015 4.531,1017 18.011,1018 493.516,1019 42,1024 11.609,1028 0.079,1031 55.563,1032 62.896,1034 0.246,1035 0.589,1036 0.78,1037 0.875,1038 0.883,1039 0.883,1040 5.004,1041 1.55,1042 5.889,1043 5.804,1044 4.533,1045 5.027,1046 2.146,1047 6.671,1048 4.502,1049 6.182,1050 1.417,1051 7.421,1052 4.475,1053 4.007,1054 4.783,1055 1.668,1056 7.466,1057 3.964,1058 7.475,1059 1.157,1060 9.048,1061 3.046,1062 6.098,1063 7.195,1064 2.955,1065 10.562,1066 6.036,1067 8.8,1068 1,1069 10.733,1070 3.02,1071 6.399,1072 7.838,1073 3.055,1074 12.209,1075 6.325,1076 10.161,1077 1,1078 12.455,1079 2.275,1080 7.928,1081 9.718,1082 4.05,1083 14.805,1084 7.838,1085 11.546,1086 0.783,1087 14.204,1088 2.136,1089 8.633,1090 10.802,1091 4.415,1092 16.833,1093 8.531,1094 12.953,1095 0.428,1096 15.974,1097 1.86,1098 9.922,1099 12.463,1100 5.253,1101 19.257,1102 9.805,1103 3.16,1104 0.076,1105 17.76,1106 1.058,1107 10.835,1108 13.769,1109 5.751,1110 21.46,1111 10.708,1112 2.758,1113 10.575,1114 19.56,1115 0.192,1116 12.018,1117 15.337,1118 6.502,1119 23.825,1120 11.88,1121 2.714,1122 8.873,1123 21.371,1124 4.548,1125 13.038,1126 16.751,1127 7.069,1128 26.107,1129 12.89,1130 2.468,1131 7.789,1132 23.192,1133 3.544,1134 14.181,1135 18.282,1136 7.771,1137 28.456,1138 14.022,1139 2.138,1140 6.967,1141 25.021,1142 3.457,1143 15.255,1144 19.748,1145 8.375,1146 30.774,1147 15.088,1148 2.07,1149 6.053,1150 26.857,1151 2.726,1152 16.384,1153 21.266,1154 9.051,1155 33.12,1156 16.208,1157 1.918,1158 5.815,1159 28.699,1160 2.679,1161 17.487,1162 22.756,1163 9.674,1164 35.456,1165 17.303,1166 12178,1167 18309,1168 23.057,1169 37.063,1170 49.393,1171 50.331,1172 49.519,1173 49.27,1174 49.275,1175 62.385,1176 6.29,1177 139.876,1178 48.556,1179 5.599,1180 5.621,1181 6.401,1182 5.191,1183 5.16,1184 7.548,1185 3.306,1186 17.42,1187 5.129,1188 7.444,1189 1.497,1190 1.525,1191 1.501,1192 1.493,1193 1.493,1194 1.89,1195 0.191,1196 4.239,1197 1.471,1198 4.127,1199 4.146,1200 4.095,1201 4.023,1202 7.429,1203 4.036,1204 3.949,1205 3.995,1206 3.863,1207 3.865,1208 5.255,1209 3.86,1210 3.823,1211 3.87,1212 3.712,1213 3.721,1214 4.756,1215 3.711,1216 3.702,1217 3.741,1218 3.63,1219 3.524,1220 4.484,1221 3.541,1222 3.408,1223 3.475,1224 3.268,1225 3.244,1226 4.32,1227 3.24,1228 3.172,1229 3.235,1230 3.078,1231 3.028,1232 3.97,1233 3.021,1234 3.111,1235 3.206,1236 2.98,1237 2.941,1238 3.813,1239 2.91,1240 3.097,1241 3.144,1242 2.866,1243 2.879,1244 3.723,1245 2.903,1246 0.139,1247 0.11,1248 0.2,1249 0.126,1250 0.096,1251 4.599,1252 0.138,1253 3.621,1254 0.058,1255 6.599,1256 0.32,1257 4.151,1258 0.095,1259 3.16,1260 4.548,1261 1.907,1262 10.575,1263 3.129,1264 1.99,1265 1.969,1266 2.11,1267 2.089,1268 1.488,1269 2.095,1270 1.932,1271 1.895,1272 2.066,1273 2.06,1274 1.31,1275 2.066,1276 1.837,1277 1.789,1278 2.01,1279 1.952,1280 1.168,1281 1.974,1282 1.576,1283 1.529,1284 1.775,1285 1.747,1286 1.054,1287 1.756,1288 1.433,1289 1.385,1290 1.645,1291 1.662,1292 0.88,1293 1.644,1294 1.214,1295 1.154,1296 1.513,1297 1.452,1298 0.825,1299 1.446,1300 1.153,1301 1.064,1302 1.459,1303 1.376,1304 0.683,1305 1.429,1306 1.043,1307 0.987,1308 1.277,1309 1.288,1310 0.441,1311 1.294,1312 4.205,1314 5.525,1315 2.398,1316 7.04,1317 4.727,1318 8.641,1319 6.823,1320 10.289,1328 9.383,1329 2.935,1332 0.755,1333 2.567,1340 34.815,1341 80.036,1342 191.689,1343 253.786,1344 284.457,1345 287.212,1346 287.212,1347 41.678,1348 8.241,1349 58.37,1350 58.37,1351 29,1352 12.608,1353 4.17,1354 3.322,1355 40.014,1356 138,1357 132,1358 0.14,1359 208.976,1360 358.72,1361 501.661,1362 51404,1364 19.631,1365 0.677,1366 0.576,1367 19.631,1368 16.694,1369 14.242,1370 0.432,1371 0.325,1372 10.616,1373 13.816,1374 10.412,1375 8.557,1376 14.242,1377 10.717,1378 12.875,1379 0.28,1380 0.183,1381 12.875,1382 8.427,1383 11.005,1384 0.18,1385 0.105,1386 11.005,1387 6.412,1388 9.276,1389 0.115,1390 0.058,1391 9.276,1392 4.659,1393 7.907,1394 0.075,1395 0.033,1396 7.907,1397 3.544,1398 0.228,1399 88.414,1400 0.208,1401 28.229,1402 0.362,1403 158,1404 391.094,1405 169.613,1406 380.144,1407 529.3,1408 358,1409 186,1410 402.026,1411 198.475,1412 404.17,1413 588.6,1414 382,1415 9.242}
{0 CHEMBL329518,1 1.705,2 15.903,3 3.298,4 10.879,5 124.631,6 7.603,7 0.375,8 4.16,9 4.279,10 3.725,11 3.592,12 5.305,13 3.58,14 4.686,15 4.868,16 4.019,17 3.917,18 5.85,19 3.891,20 4.844,21 5.031,22 4.07,23 4.093,24 5.915,25 4.013,26 4.987,27 5.218,28 4.056,29 4.121,30 5.999,31 4.006,32 4.988,33 5.223,34 3.974,35 4.068,36 5.992,37 3.941,38 4.897,39 5.147,40 3.847,41 3.978,42 5.864,43 3.83,44 4.85,45 5.12,46 3.809,47 3.881,48 5.776,49 3.739,50 4.764,51 5.007,52 3.662,53 3.758,54 5.809,55 3.631,56 0.177,57 0.831,58 12.44,59 5.164,60 11.928,61 6.802,62 0.596,63 1.23,64 25.664,65 7.599,66 62.203,67 10.512,68 0.596,69 1.445,70 30.431,71 10.393,72 43.133,73 13.733,74 0.573,75 1.542,76 37.569,77 12.184,78 62.035,79 16.373,80 0.843,81 1.496,82 41.17,83 11.746,84 73.193,85 15.48,86 0.686,87 1.372,88 35.122,89 10.815,90 67.315,91 14.99,92 0.545,93 1.269,94 35.413,95 10.247,96 53.472,97 14.316,98 0.776,99 1.127,100 35.284,101 8.948,102 85.596,103 11.633,104 46,105 41,106 0.279,107 0.586,108 0.769,109 0.846,110 0.868,111 0.873,112 3.47,113 0.947,114 -3.46,115 -3.44,116 -3.28,121 35.6,126 3,127 5,144 7,145 1,146 4,161 1,168 2,176 5,179 1,180 5,184 1,185 2,187 5,191 2,192 11,195 1,197 1,200 3,206 7,209 1,211 2,218 1,219 4,222 2,224 1,231 2,232 2,235 2,244 3,247 1,255 1,256 2,259 1,261 1,268 3,274 2,281 1767,282 20.723,283 20.723,284 20.723,285 20.723,286 20.723,287 18.816,288 31.685,289 12.599,290 21.605,291 15.676,292 15.676,293 15.676,294 15.676,295 15.676,296 12.688,297 42.511,298 5.843,299 16.877,300 4.177,301 2.305,302 1.185,303 0.716,304 0.581,305 0.547,306 4.138,311 1,312 1,313 1008,314 4.637,318 262.278,325 2.435,326 32.391,329 1,330 0.67,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.83,337 69,338 493,339 4.279,340 3.786,341 6.167,342 3.854,343 2.908,344 3.977,345 2.612,346 9.138,347 2.763,348 4.271,349 3.78,350 5.981,351 3.808,352 2.832,353 3.914,354 1.762,355 8.503,356 2.748,357 3.767,358 3.194,359 5.419,360 3.415,361 2.479,362 3.188,363 0.916,364 7.146,365 2.339,366 3.756,367 2.951,368 5.403,369 3.371,370 2.468,371 3.019,372 0.86,373 7.023,374 2.221,375 3.353,376 2.482,377 4.792,378 3.005,379 2.058,380 2.566,381 0.86,382 5.399,383 1.938,384 3.267,385 2.412,386 4.786,387 2.92,388 1.999,389 2.337,390 0.86,391 5.375,392 1.817,393 2.919,394 2.266,395 4.359,396 2.526,397 1.645,398 2.057,399 0.247,400 4.115,401 1.461,402 2.884,403 2.169,404 3.786,405 2.517,406 1.607,407 1.972,408 0.172,409 3.422,410 1.436,411 2.681,412 1.814,413 3.713,414 2.319,415 1.328,416 1.678,418 2.994,419 1.31,420 2.585,421 1.536,422 3.436,423 2,424 1.016,425 1.584,427 2.323,428 1,429 2.08,430 1.184,431 3.251,432 1.934,433 1,434 1.056,436 2.146,437 0.924,438 1.923,439 1.132,440 3.048,441 1.607,442 0.713,443 0.834,445 1.319,446 0.63,447 1.484,448 1,449 2.856,450 1.24,451 0.374,452 0.403,454 0.678,455 0.319,456 1.36,457 0.936,458 2.619,459 1.163,460 0.28,461 0.294,463 0.462,464 0.247,465 1.138,466 0.848,467 2.465,468 0.81,469 -0.123,470 -0.141,472 -0.267,473 -0.112,474 14.6,475 0.471,476 0.664,477 0.021,478 37.5,479 1.21,480 17.5,481 0.565,482 20,483 0.645,484 25.656,485 0.828,486 35.8,487 0.607,488 30.418,489 0.981,490 8.107,491 0.262,492 6.815,493 0.22,494 0.205,496 0.26,501 0.724,502 1.443,503 0.709,504 1.125,505 0.567,506 1.072,507 1.192,508 1.008,509 0.826,510 0.824,511 0.564,512 0.843,513 0.879,514 1.152,515 1.03,516 1.11,517 0.619,518 1.121,519 0.878,520 1.141,521 0.951,522 1.08,523 0.859,524 1.053,525 1.107,526 0.954,527 1.193,528 1.051,529 0.869,530 1.031,531 0.763,532 0.998,533 0.96,534 1.03,535 0.931,536 1.09,537 0.741,538 0.995,539 0.898,540 1.018,541 0.566,542 0.947,543 1.41,544 0.844,545 1.376,546 1.03,547 1.69,548 0.958,549 6.5,550 0.157,551 2.667,552 1.938,553 1.436,554 0.819,555 0.568,556 0.243,557 0.214,558 0.111,559 15228,560 49613,561 1.942,562 47.5,564 26,567 2,572 1.726,573 1.806,574 3.935,575 0.289,577 1,582 100.622,583 1.705,584 3.577,585 4.698,586 5.166,587 5.302,588 5.336,589 3.373,590 4.567,591 4.931,592 4.15,593 1929.96,594 8.551,595 31811.4,597 1,600 347.076,601 1.438,602 4.874,603 0.203,604 0.007,605 0.065,606 0.046,607 0.037,608 0.024,609 0.02,610 0.009,611 0.009,612 0.005,613 0.425,614 0.33,615 0.75,616 0.944,617 169.403,618 0.079,619 -0.192,620 0.041,621 -0.109,622 -0.003,623 -0.061,624 -0.097,625 0.075,626 0.044,627 0.108,628 0.16,629 0.108,630 0.006,631 -0.054,632 -0.108,633 -0.089,634 0.022,635 -0.122,636 -0.029,637 -0.153,638 0.019,639 -0.072,640 -0.008,641 -0.044,642 -0.103,643 0.037,644 -0.106,645 -0.021,646 -0.071,647 -0.051,648 0.05,649 -0.028,650 -0.007,651 -0.066,652 -0.048,653 -0.096,654 0.045,655 -0.056,656 0.129,657 -0.031,658 0.092,659 0.054,660 -0.211,661 0.111,662 -0.169,663 0.019,664 -0.281,665 -0.003,666 2.385,667 3.858,668 0.387,669 37.097,670 1.012,671 1.135,672 2.229,673 4.97,674 0.645,675 3.497,676 3.738,677 3.892,678 4.043,679 4.159,680 4.094,681 4.094,682 3.932,683 3.807,684 3.664,685 9.5,686 0.613,687 448.6,688 3.497,689 4.99,690 5.784,691 6.613,692 7.424,693 8.257,694 9.074,695 9.908,696 10.729,697 11.565,698 6.8,701 1,705 2,709 1,715 7,720 5,722 12,735 1,739 2,741 59,743 15,744 2,745 32,747 60,748 21,749 12,750 5,751 7,756 2,757 2,761 1,772 13,773 8,777 3,779 1,782 2,783 1,786 1,790 1,793 28,794 8,795 2,796 10,797 1,802 4,808 1,809 5,829 2,855 1,858 1,859 2,862 1,864 3,868 31,876 5,877 2,878 3,881 1,893 8.5,897 1,898 2,899 2,901 17.167,902 11.233,903 7.222,904 3.142,907 2.07,908 1.3,909 0.914,910 10.798,911 8.981,912 3.738,913 4.234,914 4.649,915 5.106,916 5.558,917 5.568,918 5.733,919 5.486,920 5.251,921 5.009,922 1,923 42,924 11.379,926 4.503,927 0.026,929 7.909,931 21.362,933 16.032,936 2.409,937 74.667,940 1,941 306.049,942 176.661,943 44.816,945 83.747,947 45.192,948 131.469,949 389.795,950 44.816,951 35.833,952 51.523,953 66.334,954 11,955 44.31,956 0.285,957 306.049,958 95.939,959 306.049,960 176.284,961 83.747,962 45.192,964 306.049,965 22,966 61.747,968 54.648,969 115.967,970 5.67,971 45.192,972 306.049,973 128.562,974 176.661,977 306.049,978 34.972,979 105.291,980 36.022,981 128.939,982 306.049,983 128.562,984 176.661,986 0.56,987 0.317,988 0.163,989 0.085,990 14,991 8,992 0.2,993 12,995 1,996 4.381,997 235.763,999 12,1000 151.58,1002 1,1005 25.133,1006 13.318,1007 8.865,1009 122.892,1010 12.112,1015 3.054,1017 36.022,1018 611.272,1019 41,1021 -0.385,1024 21.717,1025 5.292,1028 0.485,1031 59.723,1032 66.943,1034 0.29,1035 0.608,1036 0.799,1037 0.878,1038 0.901,1039 0.907,1040 4.934,1041 1.607,1042 5.733,1043 4.115,1044 4.419,1045 4.92,1046 3.16,1047 6.441,1048 4.289,1049 6.099,1050 1.328,1051 7.233,1052 3.422,1053 3.892,1054 4.705,1055 2.615,1056 7.159,1057 3.703,1058 7.374,1059 1.016,1060 8.83,1061 2.994,1062 5.916,1063 7.009,1064 4.397,1065 10.171,1066 5.682,1067 8.683,1068 1,1069 10.481,1070 2.323,1071 6.176,1072 7.589,1073 4.637,1074 11.688,1075 5.885,1076 10.023,1077 0.713,1078 12.169,1079 2.146,1080 7.661,1081 9.399,1082 6.046,1083 14.199,1084 7.341,1085 11.382,1086 0.374,1087 13.88,1088 1.319,1089 8.302,1090 10.347,1091 6.617,1092 16.068,1093 7.928,1094 12.759,1095 0.28,1096 15.609,1097 0.678,1098 9.548,1099 11.949,1100 7.837,1101 18.385,1102 9.15,1103 2.908,1104 -0.123,1105 17.351,1106 0.462,1107 10.387,1108 13.086,1109 8.576,1110 20.421,1111 9.937,1112 2.832,1113 9.138,1114 19.104,1115 -0.267,1116 11.522,1117 14.584,1118 9.689,1119 22.659,1120 11.047,1121 2.479,1122 8.503,1123 20.864,1124 3.977,1125 12.462,1126 15.822,1127 10.522,1128 24.774,1129 11.939,1130 2.468,1131 7.146,1132 22.632,1133 3.914,1134 13.547,1135 17.265,1136 11.572,1137 26.982,1138 12.996,1139 2.058,1140 7.023,1141 24.405,1142 3.188,1143 14.54,1144 18.561,1145 12.458,1146 29.136,1147 13.943,1148 1.999,1149 5.399,1150 26.182,1151 3.019,1152 15.604,1153 19.974,1154 13.472,1155 31.334,1156 14.975,1157 1.645,1158 5.375,1159 27.964,1160 2.566,1161 16.624,1162 21.302,1163 14.389,1164 33.508,1165 15.951,1166 15224,1167 27647,1168 20.572,1169 38.08,1170 45.344,1171 48.219,1172 47.484,1173 45.37,1174 45.412,1175 57.755,1176 16.581,1177 120.086,1178 42.307,1179 5.243,1180 5.786,1181 5.994,1182 4.933,1183 4.908,1184 6.977,1185 4.612,1186 15.402,1187 4.763,1188 19.06,1189 1.417,1190 1.507,1191 1.484,1192 1.418,1193 1.419,1194 1.805,1195 0.518,1196 3.753,1197 1.322,1198 4.006,1199 4.036,1200 3.984,1201 3.887,1202 7.815,1203 3.893,1204 3.929,1205 3.95,1206 3.947,1207 3.832,1208 6.999,1209 3.838,1210 3.709,1211 3.768,1212 3.788,1213 3.493,1214 4.972,1215 3.491,1216 3.595,1217 3.66,1218 3.585,1219 3.401,1220 4.82,1221 3.384,1222 3.463,1223 3.496,1224 3.433,1225 3.17,1226 4.701,1227 3.178,1228 3.334,1229 3.388,1230 3.264,1231 3.051,1232 4.569,1233 3.095,1234 3.247,1235 3.314,1236 3.095,1237 2.966,1238 4.496,1239 2.968,1240 3.2,1241 3.272,1242 3.05,1243 2.945,1244 4.298,1245 2.951,1246 0.134,1247 0.118,1248 0.193,1249 0.12,1250 0.091,1251 4.279,1252 0.124,1253 3.786,1254 0.082,1255 6.167,1256 0.286,1257 3.854,1258 0.086,1259 2.908,1260 3.977,1261 2.612,1262 9.138,1263 2.763,1264 1.937,1265 1.909,1266 2.046,1267 2.094,1268 1.216,1269 2.067,1270 1.877,1271 1.859,1272 1.965,1273 2.001,1274 1.079,1275 1.991,1276 1.627,1277 1.566,1278 1.858,1279 1.895,1280 1.059,1281 1.881,1282 1.517,1283 1.447,1284 1.753,1285 1.781,1286 0.984,1287 1.774,1288 1.273,1289 1.23,1290 1.576,1291 1.638,1292 0.696,1293 1.573,1294 1.217,1295 1.166,1296 1.57,1297 1.543,1298 0.577,1299 1.541,1300 1.191,1301 1.115,1302 1.524,1303 1.523,1304 0.574,1305 1.538,1306 1.145,1307 1.077,1308 1.373,1309 1.44,1310 0.501,1311 1.463,1312 4.174,1314 5.434,1316 6.872,1318 8.396,1320 9.967,1322 5.113,1328 2.925,1329 6.178,1330 16.124,1333 2.051,1340 36.168,1341 100.622,1342 211.062,1343 277.16,1344 304.811,1345 312.811,1346 314.811,1347 76.38,1348 6.911,1349 100.81,1350 132.9,1351 12,1352 12.137,1353 4,1354 3.322,1355 73.963,1356 183,1357 140,1358 0.191,1359 232.293,1360 410.68,1361 558.555,1362 10546,1364 22.64,1365 0.73,1366 0.604,1367 23.14,1368 18.737,1369 14.922,1370 0.466,1371 0.316,1372 9.487,1373 13.726,1374 9.157,1375 7.678,1376 15.211,1377 10.099,1378 12.726,1379 0.31,1380 0.174,1381 13.134,1382 7.136,1383 9.679,1384 0.202,1385 0.096,1386 9.941,1387 4.611,1388 7.541,1389 0.135,1390 0.054,1391 7.809,1392 3.027,1393 5.607,1394 0.089,1395 0.029,1396 5.787,1397 1.844,1398 0.322,1399 99.109,1400 0.22,1401 30.561,1402 0.469,1403 146,1404 533.494,1405 180.315,1406 517.485,1407 670.43,1408 480,1409 162,1410 451.168,1411 190.691,1412 460.924,1413 654.01,1414 424,1415 5.824}
{0 CHEMBL329531,1 1.265,2 11.76,3 4.583,4 20.999,5 102.938,6 6.63,7 0.607,8 3.983,9 4.115,10 3.474,11 3.581,12 4.934,13 3.523,14 4.553,15 4.748,16 3.784,17 3.99,18 5.411,19 3.898,20 4.856,21 5.102,22 3.801,23 4.148,24 5.597,25 4.004,26 4.932,27 5.215,28 3.638,29 4.098,30 5.599,31 3.914,32 4.866,33 5.163,34 3.551,35 4.008,36 5.522,37 3.825,38 4.737,39 5.014,40 3.476,41 3.94,42 5.423,43 3.763,44 4.68,45 4.956,46 3.407,47 3.884,48 5.365,49 3.697,50 4.595,51 4.884,52 3.251,53 3.74,54 5.274,55 3.544,56 0.051,57 0.714,58 11.381,59 4.801,60 8.561,61 6.841,62 0.166,63 1.218,64 20.97,65 8.078,66 16.872,67 11.746,68 0.176,69 1.541,70 28.798,71 11.358,72 20.635,73 16.588,74 0.202,75 1.59,76 31.519,77 12.218,78 22.941,79 17.988,80 0.205,81 1.472,82 29.695,83 11.304,84 22.986,85 16.72,86 0.176,87 1.316,88 25.869,89 10.025,90 20.187,91 14.724,92 0.17,93 1.235,94 24.333,95 9.839,96 18.706,97 14.294,98 0.136,99 1.12,100 22.46,101 8.811,102 17.806,103 12.954,105 37,106 0.213,107 0.515,108 0.702,109 0.803,110 0.835,111 0.835,112 3.266,113 1,114 -5.06,115 -4.96,116 -4.64,121 44,123 4,124 1,127 3,144 9,145 2,148 2,150 1,176 14,179 1,180 7,187 15,192 7,200 9,206 8,214 6,219 6,227 11,232 1,239 12,243 1,244 3,251 12,256 1,264 7,268 1,269 3,277 4,281 894,282 17.568,283 17.568,284 17.568,285 17.568,286 17.568,287 15.53,288 13.865,289 10.754,290 17.804,291 13.881,292 13.881,293 13.881,294 13.881,295 13.881,296 10.967,297 14.699,298 5.159,299 14.253,300 4.379,301 2.582,302 1.473,303 0.872,304 0.68,305 0.68,306 3.975,311 1,312 1,313 654,314 2.449,318 300.274,322 114.67,325 1.968,326 9.306,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 51.5,338 294,339 4.493,340 3.11,341 6.506,342 4.011,343 3.032,344 4.43,345 0.916,346 10.196,347 2.969,348 3.941,349 3.016,350 5.617,351 3.688,352 2.724,353 3.457,354 0.172,355 7.789,356 2.632,357 3.625,358 2.566,359 5.35,360 3.471,361 2.474,362 2.915,364 6.98,365 2.468,366 3.488,367 2.321,368 5.181,369 3.113,370 2.152,371 2.624,373 6.225,374 2.065,375 3.157,376 2.134,377 4.947,378 2.966,379 2.007,380 2.427,382 5.824,383 1.918,384 3.118,385 1.618,386 4.166,387 2.573,388 1.618,389 2.231,391 3.801,392 1.544,393 2.823,394 1.518,395 3.605,396 2.417,397 1.422,398 1.927,400 3.045,401 1.414,402 2.769,403 1.287,404 3.59,405 2.251,406 1.276,407 1.898,409 2.852,410 1.242,411 2.5,412 1.111,413 3.414,414 2.007,415 1.035,416 1.5,418 2.366,419 1.003,420 2.399,421 1.077,422 3.411,423 2,424 1,425 1.363,427 2.275,428 1,429 2,430 1,431 3.247,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.799,439 0.626,440 3.107,441 1.577,442 0.602,443 0.706,445 1.409,446 0.586,447 1.267,448 0.299,449 2.789,450 1.068,451 0.097,452 0.109,454 0.243,455 0.094,456 1.012,457 -0.147,458 2.411,459 0.654,460 -0.313,461 -0.384,463 -0.775,464 -0.302,465 0.882,466 -0.524,467 2.226,468 0.377,469 -0.605,470 -0.733,472 -1.367,473 -0.59,474 12.2,475 0.488,476 0.376,477 0.015,478 31.75,479 1.27,480 16,481 0.64,482 15.75,483 0.63,484 20.75,485 0.83,486 26.2,487 0.524,488 18.884,489 0.755,490 5.909,491 0.236,492 6.474,493 0.259,496 0.238,501 0.856,502 1.295,503 0.888,504 1.088,505 0.708,506 1.007,507 1.278,508 1.082,509 1.068,510 1.03,511 0.867,512 1.033,513 1.017,514 1.111,515 1.046,516 1.083,517 0.788,518 1.07,519 0.97,520 1.033,521 1.016,522 1.034,523 0.833,524 1.029,525 1.035,526 0.884,527 0.942,528 0.895,529 0.976,530 0.908,531 1.105,532 0.938,533 1.06,534 0.993,535 1.201,536 1.018,537 0.769,538 0.976,539 1.034,540 1.062,541 1.057,542 1.066,543 0.857,544 1.073,545 1.01,546 1.072,547 1.061,548 1.056,549 3.5,550 0.066,551 2,552 0.875,553 0.929,554 0.34,555 0.302,556 0.21,557 0.106,558 0.098,559 8670,560 17548,561 2.204,562 50,563 3,564 15,566 1,568 2,569 4,572 1.672,573 2.174,574 3.504,575 -0.869,582 63.234,583 1.265,584 3.062,585 4.171,586 4.772,587 4.964,588 4.964,589 2.904,590 4.054,591 4.617,592 3.688,593 1106.28,594 7.941,595 14072.2,597 1,600 282.193,601 0.795,602 4.619,603 0.125,604 0.005,605 0.054,606 0.024,607 0.032,608 0.013,609 0.012,610 0.009,611 0.006,612 0.007,613 0.286,614 0.5,615 1,617 123.391,618 0.09,619 -0.153,620 0.077,621 -0.035,622 0.195,623 0.01,624 -0.036,625 0.027,626 -0.079,627 -0.038,628 0.071,629 -0.057,630 -0.047,631 -0.108,632 -0.071,633 -0.093,634 0.063,635 -0.085,636 -0.025,637 -0.083,638 -0.037,639 -0.061,640 0.034,641 -0.052,642 -0.04,643 0.059,644 0.044,645 0.069,646 -0.047,647 0.063,648 -0.127,649 0.03,650 -0.081,651 -0.019,652 -0.227,653 -0.042,654 0.054,655 -0.03,656 -0.065,657 -0.073,658 -0.135,659 -0.077,660 0.018,661 -0.141,662 -0.035,663 -0.097,664 -0.119,665 -0.075,666 0.606,667 1.541,668 0.88,669 23.75,670 0.981,671 1.121,672 3.828,673 14.657,674 0.668,675 3.367,676 3.638,677 3.892,678 4.127,679 4.357,680 4.277,681 4.382,682 4.489,683 4.575,684 4.564,685 6.961,686 0.617,687 331.5,688 3.367,689 4.875,690 5.707,691 6.555,692 7.399,693 8.252,694 9.1,695 9.955,696 10.806,697 11.661,698 6,701 1,708 2,714 2,715 10,716 2,720 2,722 17,741 50,743 17,744 2,745 28,747 53,748 22,749 14,750 3,751 9,756 4,757 5,767 2,768 1,770 4,772 14,773 8,774 1,790 1,793 25,794 3,796 3,802 3,808 0.75,823 1,829 4,833 1,855 1,859 3,868 25,876 7,880 1,881 1,901 11.5,902 8.767,903 5.556,904 3.269,907 3.154,908 1.426,909 1.003,910 5.037,911 10.553,912 3.624,913 4.174,914 4.738,915 5.295,916 5.83,917 5.9,918 6.224,919 6.53,920 6.824,921 6.489,922 0.875,923 36,924 9.261,926 3.868,927 0.026,929 7.36,931 18.613,933 15.72,936 1.86,937 46.5,938 0.001,939 1,940 1,941 294.278,942 121.019,943 36.695,948 121.019,949 294.278,950 36.695,952 16.455,953 85.286,954 45.342,955 22.402,957 282.506,959 294.278,960 157.715,964 247.193,965 47.084,968 33.099,969 91.045,970 33.571,972 294.278,973 36.695,974 121.019,977 294.278,978 27.115,979 97.029,981 33.571,982 294.278,983 36.695,984 121.019,986 0.565,987 0.327,988 0.181,989 0.1,990 18,991 6,992 0.094,993 5,994 1,995 1.091,996 3.971,997 199.656,998 0.091,999 22,1000 108.096,1005 16.234,1006 7.757,1007 4.055,1008 2.275,1009 36.695,1010 20.863,1011 8.909,1015 2.63,1018 451.992,1019 36.5,1031 49.025,1032 56.062,1034 0.224,1035 0.542,1036 0.739,1037 0.845,1038 0.88,1039 0.88,1040 4.822,1041 1.276,1042 5.638,1043 3.045,1044 4.317,1045 4.86,1046 0.918,1047 6.372,1048 4.267,1049 5.975,1050 1.035,1051 7.136,1052 2.852,1053 3.611,1054 4.388,1055 0.325,1056 7.096,1057 3.531,1058 7.239,1059 1,1060 8.735,1061 2.366,1062 5.826,1063 7.005,1064 0.671,1065 10.19,1066 5.728,1067 8.538,1068 1,1069 10.397,1070 2.275,1071 5.994,1072 7.478,1073 0.393,1074 11.819,1075 5.87,1076 9.876,1077 0.602,1078 12.103,1079 2.136,1080 7.601,1081 9.5,1082 0.533,1083 14.391,1084 7.46,1085 11.241,1086 0.097,1087 13.84,1088 1.409,1089 8.211,1090 10.471,1091 0.384,1092 16.407,1093 8.046,1094 12.629,1095 -0.313,1096 15.601,1097 0.243,1098 9.536,1099 12.209,1100 0.438,1101 18.808,1102 9.351,1103 3.032,1104 -0.605,1105 17.379,1106 -0.775,1107 10.379,1108 13.442,1109 0.351,1110 20.994,1111 10.171,1112 2.724,1113 10.196,1114 19.172,1115 -1.367,1116 11.569,1117 15.044,1118 0.366,1119 23.338,1120 11.342,1121 2.474,1122 7.789,1123 20.977,1124 4.43,1125 12.534,1126 16.408,1127 0.312,1128 25.599,1129 12.284,1130 2.152,1131 6.98,1132 22.793,1133 3.457,1134 13.665,1135 17.946,1136 0.309,1137 27.926,1138 13.395,1139 2.007,1140 6.225,1141 24.616,1142 2.915,1143 14.693,1144 19.374,1145 0.273,1146 30.22,1147 14.4,1148 1.618,1149 5.824,1150 26.448,1151 2.624,1152 15.799,1153 20.884,1154 0.262,1155 32.541,1156 15.485,1157 1.422,1158 3.801,1159 28.285,1160 2.427,1161 16.859,1162 22.343,1163 0.236,1164 34.85,1165 16.523,1166 7992,1167 11475,1168 19.761,1169 33.393,1170 40.939,1171 40.988,1172 41.145,1173 40.905,1174 40.878,1175 53.174,1176 2.178,1177 110.282,1178 39.837,1179 5.493,1180 5.11,1181 6.308,1182 5.084,1183 5.032,1184 7.43,1185 1.605,1186 16.977,1187 4.969,1189 1.462,1190 1.464,1191 1.469,1192 1.461,1193 1.46,1194 1.899,1195 0.078,1196 3.939,1197 1.423,1198 4.071,1199 4.107,1200 4.027,1201 3.987,1202 5.062,1203 3.992,1204 3.945,1205 3.99,1206 3.862,1207 3.864,1208 4.755,1209 3.858,1210 3.816,1211 3.864,1212 3.7,1213 3.714,1214 4.474,1215 3.703,1216 3.495,1217 3.559,1218 3.381,1219 3.353,1220 4.32,1221 3.351,1222 3.318,1223 3.392,1224 3.199,1225 3.133,1226 4.059,1227 3.14,1228 3.124,1229 3.206,1230 2.982,1231 2.97,1232 3.826,1233 2.965,1234 3.111,1235 3.2,1236 2.866,1237 2.941,1238 3.674,1239 2.91,1240 2.92,1241 2.988,1242 2.771,1243 2.796,1244 3.604,1245 2.782,1246 0.16,1247 0.111,1248 0.232,1249 0.143,1250 0.108,1251 4.493,1252 0.158,1253 3.11,1254 0.033,1255 6.506,1256 0.364,1257 4.011,1258 0.106,1259 3.032,1260 4.43,1261 0.916,1262 10.196,1263 2.969,1264 2.025,1265 1.996,1266 2.127,1267 2.129,1268 1.489,1269 2.128,1270 1.93,1271 1.894,1272 2.071,1273 2.055,1274 1.231,1275 2.065,1276 1.828,1277 1.779,1278 2.004,1279 1.944,1280 1.144,1281 1.967,1282 1.488,1283 1.427,1284 1.722,1285 1.666,1286 0.966,1287 1.689,1288 1.279,1289 1.211,1290 1.513,1291 1.496,1292 0.825,1293 1.498,1294 1.153,1295 1.064,1296 1.488,1297 1.376,1298 0.69,1299 1.429,1300 1.125,1301 1.054,1302 1.388,1303 1.332,1304 0.467,1305 1.362,1306 0.935,1307 0.874,1308 1.197,1309 1.11,1310 0.313,1311 1.143,1312 4.043,1314 5.323,1316 6.812,1318 8.392,1320 10.016,1328 8.413,1332 0.82,1333 2.589,1340 30.859,1341 63.234,1342 153.086,1343 208.544,1344 238.583,1345 248.193,1346 248.193,1347 29.249,1348 7.399,1349 29.02,1350 29.02,1351 24,1352 12.216,1353 4.17,1354 3.248,1355 36.254,1356 106,1357 96,1358 0.165,1359 189.192,1360 318.9,1361 453.389,1362 18358,1364 16.899,1365 0.676,1366 0.586,1367 16.899,1368 14.642,1369 12.382,1370 0.442,1371 0.333,1372 9.268,1373 12.144,1374 9.059,1375 7.508,1376 12.382,1377 9.332,1378 10.603,1379 0.287,1380 0.191,1381 10.603,1382 7.081,1383 9.027,1384 0.188,1385 0.112,1386 9.027,1387 5.371,1388 7.53,1389 0.123,1390 0.064,1391 7.53,1392 3.875,1393 6.338,1394 0.082,1395 0.038,1396 6.338,1397 2.9,1398 0.268,1399 75.813,1400 0.225,1401 24.89,1402 0.43,1403 130,1404 276.935,1405 135.578,1406 279.851,1407 395.46,1408 266,1409 150,1410 296.042,1411 156.328,1412 305.938,1413 443.29,1414 289,1415 6.469}
{0 CHEMBL32964,1 1.392,2 9.773,3 3.495,4 12.212,5 88.199,6 6.301,7 0.25,8 3.94,9 4.075,10 3.368,11 3.442,12 4.867,13 3.392,14 4.555,15 4.762,16 3.768,17 3.886,18 5.465,19 3.807,20 4.839,21 5.074,22 3.817,23 4.078,24 5.633,25 3.963,26 4.941,27 5.191,28 3.713,29 4.093,30 5.755,31 3.937,32 4.928,33 5.219,34 3.589,35 3.929,36 5.753,37 3.767,38 4.666,39 4.919,40 3.344,41 3.695,42 5.542,43 3.553,44 4.44,45 4.702,46 3.268,47 3.544,48 5.303,49 3.402,50 4.387,51 4.64,52 3.058,53 3.387,54 5.381,55 3.25,56 0.044,57 0.679,58 11.81,59 4.725,60 6.588,61 6.762,62 0.36,63 1.13,64 22.27,65 7.955,66 31.227,67 11.794,68 0.251,69 1.408,70 29.239,71 10.498,72 24.203,73 15.483,74 0.264,75 1.467,76 32.209,77 11.717,78 34.307,79 17.164,80 0.31,81 1.307,82 31.912,83 10.723,84 44.004,85 15.945,86 0.412,87 0.992,88 25.157,89 8.141,90 40.09,91 11.688,92 0.138,93 0.861,94 19.419,95 6.842,96 19.474,97 10.149,98 0.372,99 0.774,100 19.244,101 5.528,102 40.768,103 8.301,104 25,105 35,106 0.242,107 0.532,108 0.758,109 0.875,110 0.875,111 0.875,112 3.147,113 1.052,114 -3.94,115 -3.9,116 -3.7,121 37.5,122 3,123 3,125 1,127 3,129 1,144 3,145 2,146 1,161 1,176 9,179 1,180 6,183 2,185 1,187 12,192 5,197 1,200 11,206 8,211 2,214 6,219 8,224 2,227 5,231 1,232 2,237 2,239 4,244 3,249 3,251 5,255 1,256 1,259 1,264 4,277 5,281 612,282 14.858,283 14.858,284 14.858,285 14.858,286 14.858,287 14.018,288 22.483,289 8.688,290 15.176,291 11.735,292 11.735,293 11.735,294 11.735,295 11.735,296 10.355,297 28.055,298 3.981,299 12.196,300 4.193,301 2.523,302 1.225,303 0.547,304 0.547,305 0.547,306 3.823,310 1,311 1,312 1,313 456,314 3.674,317 79.857,318 46.834,320 64.526,321 69.754,324 97.639,325 1.45,326 16.66,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 47,338 215,339 4.78,340 3.899,341 7.933,342 4.675,343 3.685,344 4.16,345 2.186,346 14.943,347 3.652,348 3.988,349 3.662,350 6.169,351 3.648,352 2.696,353 3.314,354 0.8,355 8.716,356 2.571,357 3.669,358 2.858,359 5.67,360 3.362,361 2.425,362 2.875,363 0.366,364 7.464,365 2.252,366 3.35,367 2.593,368 5.407,369 3.209,370 2.24,371 2.52,373 7.007,374 2.155,375 3.298,376 2.394,377 4.8,378 2.951,379 1.979,380 2.388,382 5.412,383 1.91,384 2.613,385 1.691,386 4.66,387 2.37,388 1.394,389 1.646,391 4.056,392 1.356,393 2.444,394 1.52,395 4.149,396 2.309,397 1.324,398 1.426,400 2.988,401 1.299,402 2.288,403 1.167,404 3.388,405 2.112,406 1.12,407 1.272,409 2.502,410 1.11,411 1.734,412 0.896,413 3.319,414 1.653,415 0.673,416 0.703,418 1.373,419 0.658,420 1.405,421 0.746,422 2.884,423 1.252,424 0.311,425 0.328,427 0.569,428 0.29,429 1.288,430 0.58,431 2.761,432 1.11,433 0.128,434 0.139,436 0.212,437 0.125,438 0.961,439 0.26,440 2.658,441 0.718,442 -0.257,443 -0.292,445 -0.561,446 -0.247,447 0.613,448 -0.288,449 2.4,450 0.32,451 -0.666,452 -0.736,454 -1.732,455 -0.649,456 0.565,457 -0.569,458 2.302,459 0.17,460 -0.825,461 -1.075,463 -1.828,464 -0.82,465 0.178,466 -0.687,467 2.238,468 0.021,469 -1,470 -1.111,472 -2.626,473 -1.005,474 10.467,475 0.476,476 0.592,477 0.027,478 22,479 1,480 8,481 0.364,482 14,483 0.636,484 22.799,485 1.036,486 25.533,487 0.532,488 13.958,489 0.634,490 3.762,491 0.171,492 6.818,493 0.31,494 0.175,495 0.048,496 0.277,501 0.787,502 1.468,503 0.945,504 1.276,505 0.613,506 1.147,507 0.616,508 1.033,509 0.882,510 0.964,511 0.379,512 0.946,513 0.994,514 1.054,515 1.019,516 1.031,517 0.68,518 1.022,519 0.959,520 1.168,521 1.106,522 1.197,523 0.881,524 1.174,525 1.065,526 0.953,527 0.882,528 0.947,529 1.109,530 0.902,531 1.842,532 0.873,533 1.188,534 0.905,535 1.624,536 0.975,537 0.862,538 1.232,539 0.908,540 1.158,541 1.031,542 1.06,543 1.939,544 0.877,545 1.351,546 0.931,547 2.743,548 1.05,549 5.5,550 0.057,551 3.333,552 2.396,553 1.366,554 0.608,555 0.456,556 0.291,557 0.201,558 0.125,559 4603,560 9116,561 2.032,562 54.2,563 6,564 10,567 1,569 9,572 1.645,573 1.872,574 3.211,575 -0.354,577 1,582 66.808,583 1.392,584 3.061,585 4.36,586 5.038,587 5.038,588 5.038,589 2.708,590 4.369,591 4.421,592 3.34,593 771.619,594 7.601,595 8261.87,597 1,599 1,600 268.078,601 1.661,602 4.366,603 0.229,604 0.006,605 0.095,606 0.067,607 0.046,608 0.023,609 0.023,610 0.015,611 0.014,612 0.011,613 0.53,614 0.5,615 1,616 1.775,617 100.494,618 0.005,619 -0.159,620 0.066,621 -0.059,622 -0.023,623 0.001,624 0.306,625 0.143,626 0.128,627 0.111,628 0.25,629 0.102,630 -0.084,631 0.034,632 -0.03,633 0.011,634 -0.006,635 0.002,636 -0.064,637 -0.147,638 -0.135,639 -0.17,640 -0.016,641 -0.162,642 -0.001,643 -0.048,644 0.096,645 -0.003,646 0.022,647 0.052,648 -0.183,649 0.048,650 -0.138,651 0.046,652 -0.219,653 -0.035,654 0.051,655 -0.258,656 0.062,657 -0.154,658 0.022,659 -0.062,660 -0.188,661 0.113,662 -0.272,663 -0.035,664 -0.322,665 -0.15,666 2.025,667 4.736,668 0.545,669 18.86,670 0.989,671 1.133,672 2.713,673 7.359,674 0.626,675 3.219,676 3.584,677 3.912,678 4.234,679 4.454,680 4.575,681 4.754,682 4.828,683 4.812,684 4.812,685 5.464,686 0.579,687 302.46,688 3.219,689 4.779,690 5.659,691 6.581,692 7.495,693 8.431,694 9.362,695 10.306,696 11.246,697 12.194,698 4.2,701 1,705 1,715 3,720 3,722 6,737 1,741 48,743 7,744 1,745 24,747 50,748 18,749 6,750 3,751 3,756 3,757 6,763 3,764 1,766 1,767 3,770 4,772 7,773 11,777 1,782 1,786 1,789 1,790 1,793 26,794 4,795 1,796 4,802 2,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 3,868 22,876 6,877 1,878 1,880 1,881 1,882 1,893 4.2,896 1,898 1,901 11.75,902 9.367,903 4.931,904 3.399,907 1.306,908 1.184,909 0.933,910 4.353,911 8.391,912 3.367,913 3.882,914 4.373,915 4.901,916 5.384,917 5.63,918 6.004,919 6.257,920 6.314,921 6.389,922 0.857,923 36,924 8.197,926 3.459,927 0.026,929 7.557,931 16.253,933 13.843,936 2.057,937 45.25,938 0.001,940 1,941 294.278,942 87.202,943 21.135,945 36.145,948 87.202,949 330.422,950 21.135,951 26.476,952 31.931,953 28.429,954 25.145,955 25.739,956 6.763,957 294.278,959 294.278,960 108.337,961 36.145,964 188.338,965 142.085,968 61.531,969 46.806,972 294.278,973 57.28,974 87.202,977 294.278,978 32.298,979 58.029,980 18.011,981 36.145,982 294.278,983 57.28,984 87.202,986 0.579,987 0.35,988 0.193,989 0.107,990 18,991 8,992 0.1,993 5,994 2,995 1.333,996 3.353,997 176.151,998 0.333,999 12,1000 98.107,1005 15.666,1006 6.113,1007 2.747,1009 57.28,1010 6.139,1015 3.436,1017 18.011,1018 438.76,1019 28,1024 11.736,1028 -0.358,1031 47.461,1032 54.398,1034 0.249,1035 0.548,1036 0.781,1037 0.902,1038 0.902,1039 0.902,1040 4.659,1041 1.12,1042 5.7,1043 2.988,1044 4.263,1045 4.564,1046 2.351,1047 6.642,1048 4.197,1049 5.856,1050 0.673,1051 7.348,1052 2.502,1053 4.111,1054 4.494,1055 1.847,1056 8.069,1057 4.039,1058 7.193,1059 0.311,1060 9.121,1061 1.373,1062 6.019,1063 6.642,1064 3.504,1065 11.221,1066 5.91,1067 8.571,1068 0.128,1069 10.975,1070 0.569,1071 6.735,1072 7.368,1073 3.598,1074 13.535,1075 6.639,1076 9.99,1077 -0.257,1078 12.887,1079 0.212,1080 8.188,1081 9.074,1082 4.907,1083 16.343,1084 8.073,1085 11.437,1086 -0.666,1087 14.839,1088 -0.561,1089 9.269,1090 10.151,1091 5.29,1092 18.938,1093 9.165,1094 12.908,1095 -0.825,1096 16.823,1097 -1.732,1098 10.596,1099 11.697,1100 6.387,1101 21.668,1102 10.484,1103 3.685,1104 -1,1105 18.828,1106 -1.828,1107 11.817,1108 12.943,1109 6.93,1110 24.341,1111 11.709,1112 2.696,1113 14.943,1114 20.851,1115 -2.626,1116 13.117,1117 14.423,1118 7.902,1119 27.053,1120 13.003,1121 2.425,1122 8.716,1123 22.887,1124 4.16,1125 14.389,1126 15.754,1127 8.539,1128 29.748,1129 14.273,1130 2.24,1131 7.464,1132 24.931,1133 3.314,1134 15.686,1135 17.204,1136 9.436,1137 32.454,1138 15.564,1139 1.979,1140 7.007,1141 26.983,1142 2.875,1143 16.977,1144 18.579,1145 10.13,1146 35.156,1147 16.85,1148 1.394,1149 5.412,1150 29.039,1151 2.52,1152 18.277,1153 20.016,1154 10.981,1155 37.861,1156 18.143,1157 1.324,1158 4.056,1159 31.099,1160 2.388,1161 19.575,1162 21.413,1163 11.71,1164 40.564,1165 19.434,1166 4639,1167 6632,1168 15.603,1169 30.057,1170 36.046,1171 37.151,1172 38.491,1173 35.943,1174 35.951,1175 41.543,1176 6.705,1177 110.486,1178 34.757,1179 5.743,1180 5.899,1181 7.798,1182 5.744,1183 5.685,1184 7.16,1185 3.889,1186 23.402,1187 5.652,1188 11.696,1189 1.502,1190 1.548,1191 1.604,1192 1.498,1193 1.498,1194 1.731,1195 0.279,1196 4.604,1197 1.448,1198 4.098,1199 4.131,1200 4.037,1201 4.027,1202 7.435,1203 4.025,1204 3.733,1205 3.781,1206 3.648,1207 3.579,1208 4.819,1209 3.585,1210 3.652,1211 3.723,1212 3.514,1213 3.473,1214 4.419,1215 3.466,1216 3.415,1217 3.491,1218 3.243,1219 3.242,1220 4.24,1221 3.224,1222 3.32,1223 3.367,1224 3.164,1225 3.085,1226 4.084,1227 3.101,1228 3.136,1229 3.213,1230 2.966,1231 2.935,1232 3.95,1233 2.947,1234 3.076,1235 3.183,1236 2.819,1237 2.881,1238 3.714,1239 2.852,1240 2.819,1241 2.897,1242 2.595,1243 2.644,1244 3.634,1245 2.62,1246 0.199,1247 0.162,1248 0.331,1249 0.195,1250 0.154,1251 4.78,1252 0.173,1253 3.899,1254 0.091,1255 7.933,1256 0.623,1257 4.675,1258 0.152,1259 3.685,1260 4.16,1261 2.186,1262 14.943,1263 3.652,1264 1.911,1265 1.893,1266 2.013,1267 1.996,1268 1.312,1269 2,1270 1.677,1271 1.623,1272 1.923,1273 1.87,1274 1.218,1275 1.886,1276 1.643,1277 1.569,1278 1.892,1279 1.858,1280 1.157,1281 1.874,1282 1.589,1283 1.517,1284 1.842,1285 1.762,1286 1.071,1287 1.793,1288 1.287,1289 1.222,1290 1.606,1291 1.545,1292 0.828,1293 1.551,1294 1.187,1295 1.126,1296 1.471,1297 1.476,1298 0.598,1299 1.492,1300 1.066,1301 0.978,1302 1.432,1303 1.31,1304 0.528,1305 1.359,1306 0.806,1307 0.74,1308 1.128,1309 1.112,1310 0.3,1311 1.121,1312 3.892,1314 5.242,1315 3.045,1316 6.797,1317 5.587,1318 8.457,1319 7.832,1320 10.183,1322 6.623,1328 6.128,1329 2.751,1330 5.425,1332 0.594,1333 2.578,1334 0.199,1340 27.794,1341 66.808,1342 146.951,1343 209.284,1344 241.814,1345 241.814,1346 241.814,1347 34.861,1348 7.085,1349 41.57,1350 41.57,1351 16,1352 12.686,1353 3,1354 2.322,1355 34.568,1356 71,1357 90,1358 0.249,1359 171.124,1360 301,1361 409.302,1362 9761,1364 15.742,1365 0.716,1366 0.628,1367 15.742,1368 13.816,1369 10.58,1370 0.441,1371 0.351,1372 8.321,1373 10.211,1374 8.032,1375 6.694,1376 10.58,1377 8.413,1378 9.584,1379 0.274,1380 0.19,1381 9.584,1382 6.651,1383 8.286,1384 0.169,1385 0.109,1386 8.286,1387 5.341,1388 7.022,1389 0.103,1390 0.06,1391 7.022,1392 4.055,1393 5.699,1394 0.067,1395 0.034,1396 5.699,1397 2.873,1398 0.383,1399 65.902,1400 0.253,1401 21.516,1402 0.701,1403 118,1404 285.449,1405 128.889,1406 272.254,1407 377.89,1408 256,1409 143,1410 285.064,1411 152.812,1412 286.007,1413 424.95,1414 270,1415 6.812}
{0 CHEMBL32966,1 1.337,2 12.4,3 4.971,4 24.707,5 101.855,6 6.045,7 0.222,8 4.096,9 4.235,10 3.482,11 3.598,12 4.984,13 3.535,14 4.719,15 4.933,16 3.854,17 4.043,18 5.573,19 3.942,20 5.017,21 5.265,22 3.887,23 4.229,24 5.758,25 4.085,26 5.119,27 5.395,28 3.764,29 4.208,30 5.871,31 4.026,32 5.043,33 5.348,34 3.635,35 4.004,36 5.817,37 3.829,38 4.77,39 5.033,40 3.476,41 3.777,42 5.624,43 3.641,44 4.617,45 4.878,46 3.429,47 3.648,48 5.521,49 3.525,50 4.545,51 4.79,52 3.302,53 3.542,54 5.57,55 3.441,56 0.062,57 0.794,58 14.302,59 5.762,60 8.119,61 8.284,62 0.391,63 1.317,64 26.464,65 9.755,66 32.74,67 14.394,68 0.261,69 1.639,70 34.605,71 12.993,72 26.041,73 19.069,74 0.305,75 1.683,76 37.864,77 13.742,78 38.335,79 20.372,80 0.346,81 1.438,82 35.055,83 11.537,84 42.442,85 17.452,86 0.41,87 1.098,88 27.575,89 8.686,90 36.662,91 12.791,92 0.24,93 0.981,94 23.529,95 7.438,96 28.468,97 11.178,98 0.466,99 0.89,100 22.784,101 6.128,102 45.822,103 9.254,104 26,105 38,106 0.224,107 0.49,108 0.733,109 0.853,110 0.881,111 0.881,112 3.266,113 1.093,114 -4.63,115 -4.55,116 -4.28,121 36.8,122 2,123 7,125 1,126 1,127 2,129 1,144 3,145 2,146 1,161 1,176 13,179 1,180 5,183 2,185 1,187 16,192 5,197 1,200 14,206 8,211 3,214 5,219 8,224 3,227 3,231 1,232 4,237 3,239 2,244 5,249 4,251 4,255 1,256 2,259 1,264 6,269 2,277 9,281 978,282 16.816,283 16.816,284 16.816,285 16.816,286 16.816,287 15.976,288 20.901,289 10.165,290 17.098,291 13.298,292 13.298,293 13.298,294 13.298,295 13.298,296 11.917,297 26.288,298 4.829,299 13.725,300 4.495,301 2.906,302 1.453,303 0.733,304 0.566,305 0.566,306 3.946,311 1,312 1,313 663,314 4.062,317 103.671,318 58.849,320 83.459,321 89.014,324 124.538,325 1.984,326 17.77,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 53,338 310,339 4.778,340 3.895,341 7.93,342 4.673,343 3.682,344 4.16,345 2.186,346 14.919,347 3.65,348 3.983,349 3.662,350 6.125,351 3.638,352 2.686,353 3.31,354 0.8,355 8.534,356 2.563,357 3.661,358 2.819,359 5.608,360 3.342,361 2.395,362 2.87,363 0.366,364 7.194,365 2.245,366 3.313,367 2.551,368 5.406,369 3.156,370 2.196,371 2.516,373 6.963,374 2.098,375 3.269,376 2.394,377 4.792,378 2.965,379 1.994,380 2.328,382 5.403,383 1.927,384 2.843,385 1.9,386 4.51,387 2.807,388 1.809,389 1.842,391 3.789,392 1.8,393 2.571,394 1.574,395 4.145,396 2.383,397 1.393,398 1.593,400 3.611,401 1.376,402 2.43,403 1.461,404 3.827,405 2.262,406 1.287,407 1.42,409 2.987,410 1.252,411 2.267,412 1.158,413 3.398,414 2.111,415 1.118,416 1.255,418 2.662,419 1.11,420 1.846,421 1.036,422 3.284,423 1.78,424 0.804,425 0.822,427 1.479,428 0.781,429 1.594,430 0.859,431 2.967,432 1.44,433 0.462,434 0.501,436 1.102,437 0.45,438 1.177,439 0.526,440 2.821,441 1.108,442 0.143,443 0.146,445 0.262,446 0.137,447 1.134,448 0.303,449 2.55,450 0.851,451 -0.119,452 -0.136,454 -0.276,455 -0.114,456 0.673,457 -0.091,458 2.419,459 0.423,460 -0.544,461 -0.565,463 -1.043,464 -0.522,465 0.607,466 -0.365,467 2.391,468 0.362,469 -0.654,470 -0.762,472 -1.639,473 -0.658,474 11.967,475 0.479,476 0.63,477 0.025,478 23.5,479 0.94,480 8,481 0.32,482 15.5,483 0.62,484 27.574,485 1.103,486 29.433,487 0.516,488 14.929,489 0.597,490 3.779,491 0.151,492 8.263,493 0.331,494 0.153,495 0.042,496 0.242,501 0.794,502 1.474,503 1.005,504 1.307,505 0.612,506 1.193,507 0.636,508 1.049,509 0.958,510 1.022,511 0.385,512 1.014,513 0.901,514 1.114,515 1.024,516 1.101,517 0.669,518 1.078,519 0.918,520 1.134,521 1.038,522 1.134,523 0.851,524 1.104,525 1.15,526 0.931,527 0.868,528 0.893,529 1.198,530 0.855,531 1.931,532 0.908,533 1.115,534 0.893,535 1.673,536 0.923,537 1.563,538 1.178,539 0.998,540 1.06,541 1.755,542 0.985,543 2.779,544 0.723,545 1.393,546 0.744,547 3.613,548 0.896,549 5.5,550 0.094,551 3.333,552 2.396,553 1.161,554 0.583,555 0.497,556 0.281,557 0.225,558 0.115,559 7548,560 13075,561 2.028,562 56.1,563 14,564 11,567 1,569 6,572 1.673,573 1.887,574 3.517,575 -0.396,582 76.236,583 1.337,584 2.927,585 4.38,586 5.1,587 5.267,588 5.267,589 3.068,590 4.484,591 4.604,592 3.716,593 1114.71,594 7.935,595 13997,597 1,600 332.475,601 1.571,602 4.56,603 0.204,604 0.007,605 0.088,606 0.063,607 0.037,608 0.022,609 0.022,610 0.013,611 0.012,612 0.007,613 0.473,614 0.33,615 1,616 2.281,617 123.091,618 0.017,619 -0.139,620 0.062,621 -0.05,622 -0.004,623 0.001,624 0.293,625 0.136,626 0.079,627 0.078,628 0.249,629 0.061,630 -0.041,631 -0.043,632 -0.031,633 -0.042,634 0.006,635 -0.035,636 -0.023,637 -0.143,638 -0.064,639 -0.131,640 0.016,641 -0.106,642 0.006,643 -0.022,644 0.116,645 0.024,647 0.076,648 -0.116,649 0.034,650 -0.044,651 0.04,652 -0.162,653 0.008,654 -0.03,655 -0.204,656 0.051,657 -0.104,658 -0.032,659 -0.031,660 -0.301,661 0.285,662 -0.222,663 0.128,664 -0.394,665 -0.018,666 2.001,667 5.02,668 0.48,669 26.234,670 0.984,671 1.134,672 3.396,673 11.53,674 0.62,675 3.332,676 3.664,677 3.951,678 4.248,679 4.443,680 4.543,681 4.718,682 4.787,683 4.754,684 4.762,685 6.969,686 0.568,687 344.55,688 3.332,689 4.875,690 5.733,691 6.635,692 7.53,693 8.451,694 9.368,695 10.301,696 11.232,697 12.173,698 3.5,701 1,705 1,715 3,720 3,722 6,737 1,741 57,743 7,744 1,745 27,747 59,748 21,749 6,750 3,751 3,756 3,757 6,763 2,764 1,766 1,767 3,770 8,772 7,773 14,777 1,782 1,786 1,793 32,794 4,795 1,796 4,802 2,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 3,868 25,876 9,877 1,878 1,880 1,881 1,882 1,893 3.5,896 1,898 1,901 13.25,902 10.867,903 5.597,904 3.999,907 1.283,908 1.177,909 0.928,910 5.932,911 8.535,912 3.466,913 3.942,914 4.398,915 4.908,916 5.38,917 5.616,918 5.979,919 6.223,920 6.253,921 6.304,922 1,923 38,924 9.338,926 3.897,927 0.026,929 7.49,931 18.702,933 15.855,936 1.99,937 49.75,938 0.001,939 1,940 1,941 364.904,942 94.806,943 21.135,945 36.145,948 94.806,949 401.049,950 21.135,951 26.047,952 39.964,953 28.429,954 25.145,955 25.739,956 6.763,957 364.904,959 364.904,960 115.941,961 36.145,964 294.278,965 106.771,968 60.739,969 55.202,972 364.904,973 57.28,974 94.806,977 364.904,978 40.33,979 57.6,980 18.011,981 36.145,982 364.904,983 57.28,984 94.806,986 0.574,987 0.331,988 0.177,989 0.093,990 18,991 8,992 0.136,993 8,994 2,995 1.333,996 3.769,997 198.758,998 0.333,999 12,1000 116.096,1005 18.567,1006 7.988,1007 3.969,1009 57.28,1010 6.166,1015 3.438,1017 18.011,1018 516.99,1019 31,1024 12.02,1028 -0.335,1031 56.112,1032 64.643,1034 0.229,1035 0.502,1036 0.751,1037 0.874,1038 0.903,1039 0.903,1040 4.741,1041 1.287,1042 5.753,1043 3.611,1044 4.344,1045 4.625,1046 2.351,1047 6.658,1048 4.286,1049 5.914,1050 1.118,1051 7.375,1052 2.987,1053 4.111,1054 4.494,1055 1.847,1056 8.046,1057 4.039,1058 7.232,1059 0.804,1060 9.129,1061 2.662,1062 6.052,1063 6.66,1064 3.504,1065 11.203,1066 5.954,1067 8.594,1068 0.462,1069 10.972,1070 1.479,1071 6.723,1072 7.361,1073 3.598,1074 13.517,1075 6.63,1076 10.002,1077 0.143,1078 12.877,1079 1.102,1080 8.192,1081 9.075,1082 4.907,1083 16.326,1084 8.084,1085 11.441,1086 -0.119,1087 14.827,1088 0.262,1089 9.255,1090 10.145,1091 5.29,1092 18.922,1093 9.157,1094 12.907,1095 -0.544,1096 16.809,1097 -0.276,1098 10.588,1099 11.695,1100 6.387,1101 21.652,1102 10.482,1103 3.682,1104 -0.654,1105 18.815,1106 -1.043,1107 11.804,1108 12.939,1109 6.93,1110 24.325,1111 11.701,1112 2.686,1113 14.919,1114 20.839,1115 -1.639,1116 13.106,1117 14.42,1118 7.902,1119 27.035,1120 12.998,1121 2.395,1122 8.534,1123 22.875,1124 4.16,1125 14.376,1126 15.75,1127 8.539,1128 29.729,1129 14.266,1130 2.196,1131 7.194,1132 24.92,1133 3.31,1134 15.674,1135 17.202,1136 9.436,1137 32.434,1138 15.558,1139 1.994,1140 6.963,1141 26.973,1142 2.87,1143 16.964,1144 18.576,1145 10.13,1146 35.134,1147 16.843,1148 1.809,1149 5.403,1150 29.03,1151 2.516,1152 18.263,1153 20.013,1154 10.981,1155 37.837,1156 18.135,1157 1.393,1158 3.789,1159 31.09,1160 2.328,1161 19.561,1162 21.411,1163 11.71,1164 40.539,1165 19.426,1166 7484,1167 10012,1168 17.682,1169 35.341,1170 39.911,1171 41.072,1172 42.071,1173 39.953,1174 39.936,1175 45.528,1176 6.705,1177 117.812,1178 38.774,1179 5.74,1180 5.895,1181 7.894,1182 5.751,1183 5.682,1184 7.16,1185 3.889,1186 23.348,1187 5.65,1188 12.98,1189 1.478,1190 1.521,1191 1.558,1192 1.48,1193 1.479,1194 1.686,1195 0.248,1196 4.363,1197 1.436,1198 4.097,1199 4.129,1200 4.035,1201 4.026,1202 7.435,1203 4.024,1204 3.785,1205 3.851,1206 3.654,1207 3.648,1208 4.82,1209 3.631,1210 3.704,1211 3.747,1212 3.591,1213 3.565,1214 4.424,1215 3.568,1216 3.568,1217 3.641,1218 3.428,1219 3.383,1220 4.254,1221 3.375,1222 3.356,1223 3.411,1224 3.208,1225 3.114,1226 4.145,1227 3.135,1228 3.241,1229 3.337,1230 3.036,1231 3.039,1232 4.014,1233 3.025,1234 3.165,1235 3.241,1236 2.984,1237 3.004,1238 3.877,1239 2.99,1240 3.023,1241 3.099,1242 2.806,1243 2.787,1244 3.741,1245 2.787,1246 0.177,1247 0.144,1248 0.294,1249 0.173,1250 0.136,1251 4.778,1252 0.154,1253 3.895,1254 0.081,1255 7.93,1256 0.553,1257 4.673,1258 0.135,1259 3.682,1260 4.16,1261 2.186,1262 14.919,1263 3.65,1264 1.911,1265 1.893,1266 2.039,1267 1.997,1268 1.379,1269 2.002,1270 1.782,1271 1.718,1272 2.012,1273 1.948,1274 1.312,1275 1.979,1276 1.663,1277 1.613,1278 1.868,1279 1.825,1280 1.195,1281 1.838,1282 1.566,1283 1.493,1284 1.852,1285 1.794,1286 1.121,1287 1.812,1288 1.533,1289 1.455,1290 1.789,1291 1.743,1292 1.015,1293 1.77,1294 1.275,1295 1.215,1296 1.579,1297 1.56,1298 0.778,1299 1.562,1300 1.129,1301 1.057,1302 1.453,1303 1.36,1304 0.605,1305 1.391,1306 1.014,1307 0.899,1308 1.452,1309 1.291,1310 0.562,1311 1.354,1312 4.007,1314 5.333,1315 3.045,1316 6.855,1317 5.587,1318 8.488,1319 7.825,1320 10.193,1322 6.777,1328 10.055,1329 2.869,1330 5.524,1332 0.578,1333 2.464,1334 0.194,1340 32.374,1341 76.236,1342 166.849,1343 249.681,1344 290.7,1345 300.21,1346 300.21,1347 44.824,1348 7.252,1349 41.57,1350 41.57,1351 16,1352 12.67,1353 3,1354 2.322,1355 42.27,1356 102,1357 136,1358 0.201,1359 199.901,1360 352.9,1361 479.518,1362 13278,1364 17.864,1365 0.715,1366 0.637,1367 17.864,1368 15.937,1369 12.042,1370 0.446,1371 0.364,1372 9.741,1373 11.674,1374 9.409,1375 7.885,1376 12.042,1377 9.837,1378 10.807,1379 0.284,1380 0.208,1381 10.807,1382 7.917,1383 8.964,1384 0.176,1385 0.12,1386 8.964,1387 6.121,1388 7.448,1389 0.108,1390 0.065,1391 7.448,1392 4.512,1393 5.861,1394 0.07,1395 0.037,1396 5.861,1397 3.086,1398 0.325,1399 74.759,1400 0.238,1401 24.808,1402 0.526,1403 130,1404 297.449,1405 140.555,1406 285.448,1407 393.85,1408 268,1409 154,1410 293.712,1411 163.645,1412 297.398,1413 437.79,1414 279,1415 6.943}
{0 CHEMBL329733,1 1.365,2 14.192,3 3.499,4 12.24,5 107.104,6 5.928,7 0.222,8 4.149,9 4.299,10 3.501,11 3.605,12 5.037,13 3.542,14 4.753,15 4.978,16 3.739,17 3.985,18 5.589,19 3.869,20 5.045,21 5.323,22 3.725,23 4.126,24 5.757,25 3.954,26 5.075,27 5.373,28 3.628,29 4.067,30 5.772,31 3.877,32 5.039,33 5.346,34 3.642,35 3.988,36 5.804,37 3.817,38 4.954,39 5.243,40 3.571,41 3.96,42 5.705,43 3.79,44 4.957,45 5.257,46 3.44,47 3.898,48 5.687,49 3.706,50 4.837,51 5.152,52 3.291,53 3.757,54 5.535,55 3.554,56 0.073,57 0.843,58 15.414,59 5.784,60 7.737,61 8.594,62 0.376,63 1.299,64 27.619,65 9.303,66 29.786,67 14.107,68 0.441,69 1.531,70 35.446,71 11.824,72 31.659,73 18.158,74 0.346,75 1.489,76 35.979,77 11.473,78 34.365,79 18.001,80 0.545,81 1.378,82 34.989,83 10.534,84 51.183,85 16.629,86 0.369,87 1.305,88 32.247,89 10.39,90 34.304,91 15.848,92 0.363,93 1.237,94 31.959,95 10.13,96 36.993,97 15.545,98 0.397,99 1.085,100 28.177,101 8.862,102 34.905,103 13.672,104 6,105 32,106 0.226,107 0.484,108 0.707,109 0.816,110 0.849,111 0.849,112 3.302,113 1.126,114 -3.57,115 -3.54,116 -3.38,121 34.4,122 1,123 5,124 1,127 7,144 5,145 1,161 1,176 12,180 2,183 2,184 1,185 1,187 12,191 1,192 2,195 1,197 2,200 6,206 3,211 3,214 1,218 1,219 5,222 1,224 3,227 2,232 4,235 1,237 2,239 2,244 4,249 1,251 1,255 1,256 3,259 1,261 2,269 2,274 2,281 1124,282 17.957,283 17.957,284 17.957,285 17.957,286 17.957,287 17.052,288 19.241,289 11.499,290 18.363,291 13.326,292 13.326,293 13.326,294 13.326,295 13.326,296 11.981,297 22.585,298 5.494,299 13.879,300 4.566,301 3.007,302 1.657,303 1,304 0.799,305 0.799,306 3.975,311 1,312 1,313 765,314 4.123,318 220.302,325 2.192,326 16.647,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 55.5,338 369,339 3.91,340 3.533,341 5.567,342 3.622,343 2.659,344 3.448,345 1.659,346 7.636,347 2.573,348 3.659,349 2.891,350 5.363,351 3.546,352 2.559,353 2.816,354 0.86,355 7.026,356 2.526,357 3.63,358 2.722,359 5.018,360 3.285,361 2.305,362 2.659,363 0.8,364 6.008,365 2.241,366 3.232,367 2.417,368 4.995,369 3.18,370 2.23,371 2.232,372 0.564,373 5.985,374 2.103,375 2.918,376 2.266,377 3.781,378 2.607,379 1.709,380 2.082,381 0.133,382 3.495,383 1.537,384 2.723,385 1.647,386 3.628,387 2.482,388 1.492,389 1.72,391 3.135,392 1.47,393 2.5,394 1.535,395 3.581,396 2.416,397 1.424,398 1.5,400 3.027,401 1.405,402 2.429,403 1.429,404 3.281,405 2.03,406 1.093,407 1.428,409 2.275,410 1.017,411 2.126,412 1.063,413 3.247,414 2,415 1,416 1.115,418 2.136,419 1,420 2,421 1,422 3.247,423 2,424 1,425 1,427 2.136,428 1,429 1.777,430 1,431 2.944,432 1.552,433 0.611,434 0.665,436 1.315,437 0.571,438 1.475,439 0.859,440 2.739,441 1.364,442 0.4,443 0.417,445 0.642,446 0.383,447 1.248,448 0.489,449 2.542,450 1.126,451 0.178,452 0.186,454 0.375,455 0.167,456 0.796,457 0.139,458 2.116,459 0.653,460 -0.305,461 -0.312,463 -0.661,464 -0.287,465 0.744,466 -0.071,467 1.724,468 0.407,469 -0.589,470 -0.662,472 -1.295,473 -0.578,474 12.367,475 0.476,476 0.311,477 0.012,478 23.5,479 0.904,480 7.5,481 0.288,482 16,483 0.615,484 26.78,485 1.03,486 31.433,487 0.515,488 14.798,489 0.569,490 4.38,491 0.168,492 8.396,493 0.323,494 0.067,496 0.154,501 0.864,502 1.609,503 1.054,504 1.395,505 0.622,506 1.261,507 1.087,508 1.173,509 1.185,510 1.164,511 0.634,512 1.178,513 0.969,514 1.055,515 1.064,516 1.054,517 0.844,518 1.067,519 1.011,520 1.097,521 1.009,522 1.055,523 1.062,524 1.032,525 1.081,526 0.861,527 0.899,528 0.827,529 0.852,530 0.836,531 1.25,532 0.96,533 1.028,534 0.994,535 1.049,536 0.988,537 1.346,538 0.985,539 1.02,540 0.978,541 1.275,542 0.972,543 1.131,544 0.822,545 0.95,546 0.865,547 1.028,548 0.888,549 3.5,550 0.058,551 1.333,552 0.75,553 0.702,554 0.375,555 0.244,556 0.142,557 0.115,558 0.071,559 9843,560 18579,561 2.018,562 57.4,563 10,564 19,567 2,569 4,572 1.681,573 1.95,574 3.791,575 0.213,577 1,582 83.257,583 1.365,584 2.924,585 4.273,586 4.93,587 5.131,588 5.131,589 3.229,590 3.902,591 4.676,592 3.978,593 1293.01,594 8.045,595 18639.4,597 1,600 361.775,601 0.991,602 4.662,603 0.13,604 0.003,605 0.042,606 0.025,607 0.027,608 0.014,609 0.01,610 0.007,611 0.006,612 0.004,613 0.267,614 0.5,615 0.88,616 0.646,617 134.314,618 0.002,619 -0.203,620 0.044,621 -0.092,622 0.01,623 -0.029,624 0.049,625 0.024,626 -0.115,627 -0.068,628 0.09,629 -0.107,630 0.023,631 -0.027,632 -0.066,633 -0.048,634 -0.014,635 -0.066,636 -0.039,637 -0.132,638 -0.031,639 -0.097,640 -0.035,641 -0.067,642 0.118,643 0.062,644 0.098,645 0.079,646 0.163,647 0.088,648 -0.051,649 0.003,650 -0.023,651 -0.032,652 0.018,653 -0.024,654 -0.087,655 -0.084,656 -0.027,657 -0.041,658 -0.055,659 -0.03,660 0.03,661 0.067,662 0.029,663 0.039,664 -0.014,665 0.032,666 1.815,667 4.739,668 0.462,669 29.018,670 0.985,671 1.14,672 2.34,673 5.475,674 0.608,675 3.332,676 3.497,677 3.611,678 3.714,679 3.829,680 3.611,681 3.584,682 3.555,683 3.497,684 3.332,685 8.427,686 0.556,687 361.59,688 3.332,689 4.779,690 5.541,691 6.326,692 7.101,693 7.889,694 8.669,695 9.458,696 10.239,697 11.03,698 4.9,701 1,705 2,715 5,720 1,722 6,741 61,743 7,744 1,745 27,747 62,748 21,749 6,750 1,751 5,756 2,757 2,761 1,763 1,767 5,768 1,770 5,772 7,773 14,774 1,777 1,782 1,786 1,790 1,793 35,794 5,795 2,796 5,802 3,808 1,809 2,829 2,855 1,858 1,859 2,864 1,868 26,876 12,877 2,878 1,880 1,881 1,893 3.3,896 1,897 1,901 13.333,902 10.533,903 6.167,904 4.119,907 0.904,908 1.141,909 0.918,910 10.516,911 7.313,912 3.466,913 3.773,914 4.039,915 4.326,916 4.672,917 4.312,918 4.358,919 4.429,920 4.532,921 4.087,922 1,923 30,924 9.685,926 3.815,927 0.026,929 7.506,931 19.34,933 15.337,936 2.006,937 52.167,939 1,940 1,941 388.446,942 96.054,943 39.146,945 36.145,948 96.054,949 424.591,950 39.146,951 8.825,952 68.407,953 47.381,954 36.145,955 6.31,956 4.276,957 388.446,959 388.446,960 135.2,961 36.145,964 341.362,965 72.229,966 11,968 80.357,969 54.843,972 388.446,973 75.291,974 96.054,977 388.446,978 39.847,979 59.331,980 36.022,981 36.145,982 388.446,983 75.291,984 96.054,986 0.54,987 0.295,988 0.151,989 0.082,990 10,991 4,992 0.177,993 11,995 1,996 4.127,997 178.251,999 12,1000 114.211,1005 21.045,1006 12.992,1007 9.315,1009 75.291,1010 9.898,1015 1.094,1017 36.022,1018 559.791,1019 31,1024 11.739,1028 -0.148,1031 60.098,1032 69.557,1034 0.23,1035 0.493,1036 0.721,1037 0.831,1038 0.865,1039 0.865,1040 4.63,1041 1.093,1042 5.416,1043 3.027,1044 4.174,1045 4.454,1046 2.173,1047 6.004,1048 4.103,1049 5.678,1050 1,1051 6.828,1052 2.275,1053 3.219,1054 3.651,1055 1.305,1056 6.389,1057 3.144,1058 6.862,1059 1,1060 8.331,1061 2.136,1062 5.549,1063 6.205,1064 2.57,1065 9.419,1066 5.413,1067 8.07,1068 0.611,1069 9.89,1070 2.136,1071 5.442,1072 6.22,1073 2.354,1074 10.674,1075 5.303,1076 9.313,1077 0.4,1078 11.487,1079 1.315,1080 7.143,1081 8.257,1082 3.301,1083 13.114,1084 6.956,1085 10.575,1086 0.178,1087 13.109,1088 0.642,1089 7.476,1090 8.667,1091 3.422,1092 14.744,1093 7.28,1094 11.854,1095 -0.305,1096 14.749,1097 0.375,1098 8.853,1099 10.474,1100 4.185,1101 16.945,1102 8.621,1103 2.659,1104 -0.589,1105 16.401,1106 -0.661,1107 9.438,1108 11.107,1109 4.48,1110 18.758,1111 9.19,1112 2.559,1113 7.636,1114 18.062,1115 -1.295,1116 10.634,1117 12.781,1118 5.135,1119 20.852,1120 10.358,1121 2.305,1122 7.026,1123 19.729,1124 3.448,1125 11.368,1126 13.562,1127 5.522,1128 22.76,1129 11.071,1130 2.23,1131 6.008,1132 21.402,1133 2.816,1134 12.461,1135 15.142,1136 6.115,1137 24.807,1138 12.14,1139 1.709,1140 5.985,1141 23.078,1142 2.659,1143 13.286,1144 16.031,1145 6.554,1146 26.765,1147 12.94,1148 1.492,1149 3.495,1150 24.757,1151 2.232,1152 14.32,1153 17.538,1154 7.11,1155 28.793,1156 13.952,1157 1.424,1158 3.135,1159 26.438,1160 2.082,1161 15.2,1162 18.509,1163 7.577,1164 30.777,1165 14.804,1166 9681,1167 13502,1168 18.257,1169 37.109,1170 37.398,1171 38.384,1172 38.236,1173 37.289,1174 37.319,1175 42.536,1176 8.031,1177 90.375,1178 35.983,1179 4.91,1180 5.533,1181 5.395,1182 4.697,1183 4.659,1184 6.448,1185 2.921,1186 13.091,1187 4.573,1188 9.513,1189 1.385,1190 1.422,1191 1.416,1192 1.381,1193 1.382,1194 1.575,1195 0.297,1196 3.347,1197 1.333,1198 3.937,1199 3.988,1200 3.849,1201 3.856,1202 7.431,1203 3.849,1204 3.894,1205 3.94,1206 3.769,1207 3.787,1208 4.758,1209 3.773,1210 3.707,1211 3.77,1212 3.585,1213 3.492,1214 4.598,1215 3.501,1216 3.619,1217 3.693,1218 3.497,1219 3.38,1220 4.319,1221 3.399,1222 3.418,1223 3.48,1224 3.273,1225 3.174,1226 4.157,1227 3.187,1228 3.256,1229 3.35,1230 3.032,1231 3.08,1232 4.105,1233 3.053,1234 3.205,1235 3.289,1236 2.998,1237 3.039,1238 3.88,1239 3.019,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.7,1245 2.91,1246 0.145,1247 0.131,1248 0.206,1249 0.134,1250 0.098,1251 3.91,1252 0.128,1253 3.533,1254 0.061,1255 5.567,1256 0.283,1257 3.622,1258 0.095,1259 2.659,1260 3.448,1261 1.659,1262 7.636,1263 2.573,1264 1.91,1265 1.88,1266 2.119,1267 2.05,1268 1.518,1269 2.076,1270 1.899,1271 1.844,1272 2.04,1273 2.007,1274 1.179,1275 2.019,1276 1.655,1277 1.587,1278 1.907,1279 1.896,1280 1.151,1281 1.902,1282 1.553,1283 1.482,1284 1.802,1285 1.818,1286 1.031,1287 1.816,1288 1.357,1289 1.289,1290 1.659,1291 1.634,1292 0.898,1293 1.635,1294 1.279,1295 1.195,1296 1.574,1297 1.51,1298 0.871,1299 1.546,1300 1.227,1301 1.147,1302 1.538,1303 1.443,1304 0.825,1305 1.483,1306 1.153,1307 1.064,1308 1.513,1309 1.376,1310 0.685,1311 1.429,1312 4.007,1314 5.209,1316 6.589,1318 8.043,1320 9.533,1322 2.224,1328 12.625,1329 5.681,1330 5.684,1332 0.874,1333 2.496,1340 33.923,1341 83.257,1342 178.34,1343 260.681,1344 300.755,1345 313.02,1346 313.02,1347 52.227,1348 6.409,1349 53.6,1350 53.6,1351 12,1352 11.637,1353 3,1354 2.322,1355 55.644,1356 135,1357 108,1358 0.193,1359 214.089,1360 376.26,1361 514.136,1362 5483,1364 18.452,1365 0.71,1366 0.624,1367 18.452,1368 16.213,1369 12.775,1370 0.473,1371 0.375,1372 10.008,1373 12.311,1374 9.785,1375 8.166,1376 12.775,1377 10.133,1378 10.192,1379 0.319,1380 0.222,1381 10.192,1382 7.105,1383 7.821,1384 0.217,1385 0.141,1386 7.821,1387 5.068,1388 5.803,1389 0.145,1390 0.087,1391 5.803,1392 3.487,1393 4.501,1394 0.1,1395 0.055,1396 4.501,1397 2.454,1398 0.325,1399 79.749,1400 0.234,1401 26.565,1402 0.474,1403 118,1404 295.782,1405 128.782,1406 279.525,1407 370.41,1408 264,1409 127,1410 250.766,1411 137.091,1412 253.136,1413 361.36,1414 238,1415 5}
{0 CHEMBL330004,1 1.454,2 12.32,3 5.427,4 29.448,5 105.556,6 8.32,7 0.571,8 3.958,9 4.073,10 3.641,11 3.576,12 4.924,13 3.516,14 4.529,15 4.705,16 4.032,17 4.001,18 5.394,19 3.907,20 4.83,21 5.061,22 4.031,23 4.138,24 5.589,25 3.984,26 4.905,27 5.178,28 3.933,29 4.052,30 5.598,31 3.871,32 4.775,33 5.062,34 3.818,35 3.935,36 5.44,37 3.755,38 4.649,39 4.91,40 3.633,41 3.879,42 5.355,43 3.714,44 4.638,45 4.894,46 3.584,47 3.84,48 5.358,49 3.655,50 4.491,51 4.752,52 3.436,53 3.683,54 5.196,55 3.482,56 0.085,57 0.647,58 9.196,59 4.696,60 8.575,61 6.336,62 0.115,63 1.126,64 19.664,65 8.286,66 13.428,67 11.187,68 0.193,69 1.439,70 36.506,71 12.089,72 21.177,73 16.118,74 0.316,75 1.502,76 41.09,77 12.761,78 26.478,79 17.207,80 0.258,81 1.316,82 33.916,83 11.071,84 22.845,85 15.343,86 0.173,87 1.191,88 25.47,89 9.67,90 17.705,91 13.412,92 0.237,93 1.136,94 32.402,95 10.153,96 21.316,97 13.375,98 0.224,99 0.962,100 29.542,101 9.019,102 18.793,103 11.875,104 2,105 38,106 0.247,107 0.548,108 0.729,109 0.819,110 0.829,111 0.829,112 3.266,113 1.058,114 -5.51,115 -5.39,116 -5.03,119 1,121 43.8,123 4,124 1,127 3,144 8,145 2,146 1,148 1,154 1,168 1,176 12,180 7,187 16,192 8,200 9,206 8,214 7,219 6,227 10,232 2,239 12,243 1,244 1,251 12,255 1,256 1,264 6,269 3,277 6,281 902,282 17.309,283 17.309,284 17.309,285 17.309,286 17.309,287 15.376,288 15.509,289 10.404,290 17.615,291 13.864,292 13.864,293 13.864,294 13.864,295 13.864,296 11.047,297 15.375,298 5.012,299 14.412,300 4.131,301 2.362,302 1.297,303 0.766,304 0.708,305 0.708,306 3.97,311 1,312 1,313 683,314 2.55,317 58.119,318 240.374,321 108.082,325 1.987,326 11.02,329 0.75,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.86,337 51.75,338 308,339 4.545,340 3.187,341 6.538,342 4.071,343 3.085,344 4.499,345 0.916,346 10.317,347 3.04,348 3.941,349 3.017,350 5.617,351 3.688,352 2.725,353 3.457,354 0.172,355 7.79,356 2.633,357 3.704,358 2.791,359 5.358,360 3.474,361 2.478,362 3.136,364 6.994,365 2.469,366 3.591,367 2.556,368 5.249,369 3.21,370 2.306,371 2.641,373 6.55,374 2.069,375 3.226,376 2.252,377 4.953,378 3.019,379 2.074,380 2.473,382 5.86,383 1.927,384 3.126,385 1.982,386 4.772,387 2.721,388 1.765,389 2.234,391 5.113,392 1.625,393 2.862,394 1.518,395 4.207,396 2.424,397 1.432,398 2.009,400 3.755,401 1.417,402 2.809,403 1.466,404 3.594,405 2.377,406 1.402,407 1.905,409 3.042,410 1.323,411 2.5,412 1.077,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.173,421 1,422 3.316,423 1.984,424 1,425 1.055,427 2.136,428 0.983,429 2,430 0.863,431 3.247,432 1.807,433 0.82,434 1,436 1.924,437 0.808,438 1.74,439 0.609,440 3.128,441 1.498,442 0.517,443 0.63,445 1.24,446 0.495,447 1.233,448 0.347,449 2.79,450 1.045,451 0.077,452 0.086,454 0.193,455 0.073,456 0.961,457 0.123,458 2.378,459 0.573,460 -0.331,461 -0.395,463 -0.801,464 -0.199,465 0.763,466 -0.322,467 2.296,468 0.375,469 -0.526,470 -0.622,472 -1.242,473 -0.479,474 12.967,475 0.519,476 0.482,477 0.019,478 29.5,479 1.18,480 14,481 0.56,482 15.5,483 0.62,484 23.804,485 0.952,486 26.033,487 0.542,488 16.101,489 0.644,490 5.257,491 0.21,492 7.019,493 0.281,494 0.103,496 0.262,501 0.611,502 1.159,503 0.506,504 0.879,505 0.571,506 0.922,507 0.942,508 1.139,509 0.577,510 0.899,511 0.686,512 0.971,513 0.909,514 1.118,515 0.827,516 1.028,517 0.797,518 1.066,519 0.955,520 1.017,521 0.607,522 0.916,523 0.892,524 0.975,525 0.835,526 0.864,527 0.462,528 0.74,529 0.848,530 0.829,531 0.816,532 0.983,533 0.385,534 0.834,535 1.011,536 0.968,537 1.138,538 0.945,539 0.81,540 0.984,541 1.267,542 1.052,543 0.973,544 1.017,545 0.885,546 1.018,547 1.119,548 1.063,549 4.5,550 0.07,551 2.222,552 1.167,553 0.987,554 0.441,555 0.372,556 0.229,557 0.133,558 0.133,559 8751,560 21070,561 2.179,562 47.9,563 3,564 14,568 2,569 4,572 1.671,573 2.113,574 3.567,575 -0.83,582 69.798,583 1.454,584 3.223,585 4.288,586 4.819,587 4.877,588 4.877,589 3.083,590 4.244,591 4.616,592 3.737,593 1121.02,594 7.933,595 14288.2,600 268.078,601 1.078,602 4.606,603 0.161,604 0.005,605 0.058,606 0.033,607 0.035,608 0.017,609 0.015,610 0.01,611 0.007,612 0.008,613 0.35,614 0.5,615 0.88,616 0.372,617 123.775,618 0.223,619 -0.042,620 0.012,621 -0.004,622 0.244,623 0.014,624 -0.05,625 -0.049,626 0.01,627 -0.025,628 0.102,629 -0.039,630 -0.047,631 -0.115,632 -0.038,633 -0.098,634 0.045,635 -0.102,636 0.037,637 -0.052,638 0.037,639 -0.028,640 0.053,641 -0.02,642 0.027,643 0.095,644 0.092,645 0.132,646 0.024,647 0.131,648 -0.038,649 0.007,650 0.026,651 0.004,652 -0.144,653 -0.021,654 -0.07,655 0.008,656 -0.053,657 -0.058,658 -0.21,659 -0.086,660 0.035,661 -0.093,662 -0.047,663 -0.063,664 -0.153,665 -0.081,666 0.79,667 1.965,668 0.84,669 24.49,670 0.989,671 1.117,672 4.282,673 18.334,674 0.692,675 3.367,676 3.664,677 3.912,678 4.159,679 4.357,680 4.344,681 4.431,682 4.533,683 4.533,684 4.605,685 7.106,686 0.637,687 399.36,688 3.367,689 4.89,690 5.727,691 6.586,692 7.437,693 8.3,694 9.157,695 10.023,696 10.883,697 11.751,698 4.2,701 1,708 1,714 2,715 8,716 1,718 1,720 3,722 16,740 1,741 48,743 16,744 2,745 28,746 1,747 51,748 21,749 13,750 4,751 8,756 4,757 5,767 2,768 1,770 4,772 13,773 8,774 1,793 23,794 3,796 4,797 1,801 1,802 2,808 0.75,809 1,828 1,829 3,832 1,855 1,859 3,863 1,868 25,876 7,880 1,881 1,892 1,893 2.1,898 1,901 11.833,902 8.46,903 5.472,904 3.141,907 2.884,908 1.389,909 1.003,910 5.305,911 10.304,912 3.611,913 4.186,914 4.748,915 5.32,916 5.784,917 5.951,918 6.242,919 6.523,920 6.31,921 6.38,922 1,923 35,924 9.256,926 3.892,927 0.026,929 7.397,931 18.533,933 15.742,936 1.897,937 47.417,941 270.735,942 108.672,943 68.675,945 9.734,948 154.626,949 280.469,950 22.721,952 16.455,953 75.81,954 19.597,955 24.429,956 4.836,957 270.735,958 45.954,959 270.735,960 131.393,961 9.734,963 45.954,964 223.651,965 56.819,968 22.336,969 89.46,970 19.597,971 45.954,972 270.735,973 32.455,974 154.626,977 270.735,978 32.862,979 78.934,980 45.954,981 29.331,982 270.735,983 32.455,984 154.626,986 0.575,987 0.327,988 0.177,989 0.098,990 19,991 7,992 0.098,993 5,994 1,995 1.095,996 3.964,997 199.913,998 0.095,999 21,1000 108.096,1005 16.96,1006 7.819,1007 4.199,1008 2.034,1009 32.455,1010 16.945,1011 4.285,1013 5.465,1015 3.559,1018 457.816,1019 36,1031 47.48,1032 53.615,1034 0.26,1035 0.577,1036 0.768,1037 0.863,1038 0.873,1039 0.873,1040 4.828,1041 1.402,1042 5.68,1043 3.755,1044 4.344,1045 4.871,1046 0.918,1047 6.431,1048 4.275,1049 5.999,1050 1,1051 7.194,1052 3.042,1053 3.761,1054 4.543,1055 0.325,1056 7.182,1057 3.599,1058 7.279,1059 1,1060 8.803,1061 2.275,1062 5.878,1063 7.042,1064 0.671,1065 10.26,1066 5.76,1067 8.593,1068 0.82,1069 10.47,1070 2.136,1071 6.133,1072 7.633,1073 0.393,1074 11.893,1075 5.957,1076 9.944,1077 0.517,1078 12.178,1079 1.924,1080 7.677,1081 9.568,1082 0.533,1083 14.466,1084 7.524,1085 11.322,1086 0.077,1087 13.914,1088 1.24,1089 8.346,1090 10.624,1091 0.384,1092 16.491,1093 8.16,1094 12.722,1095 -0.331,1096 15.672,1097 0.193,1098 9.638,1099 12.314,1100 0.438,1101 18.897,1102 9.459,1103 3.085,1104 -0.526,1105 17.449,1106 -0.801,1107 10.522,1108 13.604,1109 0.351,1110 21.098,1111 10.323,1112 2.725,1113 10.317,1114 19.241,1115 -1.242,1116 11.702,1117 15.185,1118 0.366,1119 23.449,1120 11.5,1121 2.478,1122 7.79,1123 21.045,1124 4.499,1125 12.697,1126 16.589,1127 0.312,1128 25.726,1129 12.481,1130 2.306,1131 6.994,1132 22.861,1133 3.457,1134 13.83,1135 18.123,1136 0.309,1137 28.062,1138 13.606,1139 2.074,1140 6.55,1141 24.686,1142 3.136,1143 14.883,1144 19.58,1145 0.273,1146 30.37,1147 14.646,1148 1.765,1149 5.86,1150 26.52,1151 2.641,1152 15.998,1153 21.095,1154 0.262,1155 32.702,1156 15.752,1157 1.432,1158 5.113,1159 28.36,1160 2.473,1161 17.081,1162 22.577,1163 0.236,1164 35.024,1165 16.822,1166 8097,1167 12767,1168 19.474,1169 33.194,1170 41.575,1171 41.577,1172 41.794,1173 41.656,1174 41.362,1175 53.249,1176 2.178,1177 114.378,1178 39.72,1179 5.545,1180 5.187,1181 6.34,1182 5.106,1183 5.085,1184 7.499,1185 1.605,1186 17.053,1187 5.04,1188 6.731,1189 1.485,1190 1.485,1191 1.493,1192 1.488,1193 1.477,1194 1.902,1195 0.078,1196 4.085,1197 1.419,1198 4.095,1199 4.11,1200 6.88,1201 4.001,1202 5.259,1203 4.005,1204 3.947,1205 3.99,1206 4.026,1207 3.865,1208 4.756,1209 3.859,1210 3.816,1211 3.863,1212 3.862,1213 3.716,1214 4.471,1215 3.704,1216 3.478,1217 3.538,1218 3.696,1219 3.367,1220 4.32,1221 3.347,1222 3.268,1223 3.317,1224 3.293,1225 3.114,1226 3.966,1227 3.105,1228 3.111,1229 3.206,1230 3.091,1231 2.941,1232 3.785,1233 2.91,1234 3.07,1235 3.129,1236 2.915,1237 2.907,1238 3.674,1239 2.891,1240 2.894,1241 2.946,1242 2.866,1243 2.784,1244 3.605,1245 2.769,1246 0.162,1247 0.114,1248 0.233,1249 0.145,1250 0.11,1251 4.545,1252 0.161,1253 3.187,1254 0.033,1255 6.538,1256 0.368,1257 4.071,1258 0.109,1259 3.085,1260 4.499,1261 0.916,1262 10.317,1263 3.04,1264 1.946,1265 1.92,1266 2.105,1267 2.07,1268 1.487,1269 2.085,1270 1.918,1271 1.891,1272 2.022,1273 1.986,1274 1.201,1275 2,1276 1.828,1277 1.781,1278 1.96,1279 1.94,1280 1.134,1281 1.957,1282 1.499,1283 1.442,1284 1.718,1285 1.71,1286 0.971,1287 1.711,1288 1.215,1289 1.154,1290 1.513,1291 1.45,1292 0.825,1293 1.442,1294 1.153,1295 1.064,1296 1.459,1297 1.376,1298 0.69,1299 1.429,1300 1.004,1301 0.955,1302 1.231,1303 1.274,1304 0.443,1305 1.264,1306 0.906,1307 0.881,1308 1.181,1309 1.067,1310 0.227,1311 1.107,1312 4.043,1314 5.342,1315 2.398,1316 6.832,1317 4.727,1318 8.404,1319 6.823,1320 10.018,1321 3.48,1328 8.27,1332 0.8,1333 2.578,1340 30.578,1341 69.798,1342 154.72,1343 205.814,1344 231.323,1345 234.078,1346 234.078,1347 31.153,1348 7.42,1349 29.27,1350 29.27,1351 23,1352 12.298,1353 4.087,1354 3.17,1355 36.315,1356 108,1357 96,1358 0.163,1359 191.643,1360 321.31,1361 459.369,1362 18469,1363 2.1,1364 17.062,1365 0.682,1366 0.637,1367 18.062,1368 15.913,1369 12.276,1370 0.438,1371 0.353,1372 9.056,1373 11.41,1374 8.814,1375 7.267,1376 12.853,1377 9.872,1378 10.883,1379 0.286,1380 0.209,1381 11.7,1382 7.929,1383 9.121,1384 0.186,1385 0.117,1386 9.645,1387 5.748,1388 7.575,1389 0.12,1390 0.065,1391 8.045,1392 4.1,1393 6.157,1394 0.08,1395 0.04,1396 6.642,1397 3.073,1398 0.265,1399 84.002,1400 0.227,1401 24.958,1402 0.42,1403 132,1404 313.68,1405 205.216,1406 345.012,1407 470.51,1408 324,1409 153,1410 330.869,1411 190.079,1412 346.825,1413 502.02,1414 327,1415 7.3}
{0 CHEMBL33051,1 1.694,2 10.286,3 0.493,4 0.243,5 76.096,6 7.793,7 0.545,8 3.725,9 3.846,10 3.306,11 3.146,12 5.006,13 3.168,14 4.174,15 4.34,16 3.561,17 3.481,18 5.389,19 3.476,20 4.362,21 4.54,22 3.599,23 3.62,24 5.515,25 3.577,26 4.486,27 4.715,28 3.491,29 3.518,30 5.608,31 3.457,32 4.382,33 4.629,34 3.318,35 3.329,36 5.478,37 3.27,38 4.173,39 4.411,40 3.172,41 3.214,42 5.257,43 3.15,44 4.106,45 4.353,46 3.134,47 3.21,48 5.245,49 3.138,50 3.958,51 4.172,52 3.041,53 3.197,54 5.031,55 3.109,56 0.15,57 0.551,58 7.309,59 2.801,60 17.542,61 3.711,62 0.4,63 0.788,64 13.091,65 4.171,66 27.111,67 5.698,68 0.287,69 0.906,70 15.779,71 5.885,72 27.368,73 7.927,74 0.475,75 0.876,76 20.411,77 6.013,78 40.679,79 8.67,80 0.562,81 0.74,82 19.579,83 5.103,84 52.169,85 7.504,86 0.428,87 0.644,88 15.314,89 4.212,90 42.849,91 6.281,92 0.469,93 0.618,94 14.465,95 4.066,96 47.297,97 5.987,98 0.252,99 0.571,100 11.425,101 4.174,102 23.655,103 5.82,104 15,105 28,106 0.307,107 0.655,108 0.758,109 0.828,110 0.875,111 0.875,112 3.101,113 0.876,114 -1.8,115 -1.86,116 -1.87,121 37.8,128 2,144 5,145 1,147 3,148 1,157 1,160 1,165 1,166 1,167 1,172 1,176 4,180 1,182 3,183 1,185 1,187 2,189 5,192 3,194 1,197 2,203 4,206 5,211 1,213 1,217 1,218 1,219 3,221 1,224 1,226 1,230 1,235 1,237 1,241 4,243 1,246 2,247 1,253 2,263 1,264 4,269 2,271 1,276 1,277 4,280 1,281 561,282 14.267,283 14.267,284 14.267,285 14.267,286 14.267,287 12.302,288 15.754,289 8.795,290 14.665,291 10.82,292 10.82,293 10.82,294 10.82,295 10.82,296 8.107,297 19.731,298 4.063,299 11.41,300 3.515,301 1.592,302 1.024,303 0.635,304 0.378,305 0.378,306 3.766,311 1,312 1,313 443,314 3.162,318 152.126,325 1.537,326 19.571,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 47,338 216,339 4.218,340 3.627,341 6.137,342 3.787,343 2.846,344 3.84,345 1.697,346 9.03,347 2.772,348 4.164,349 3.5,350 5.929,351 3.771,352 2.782,353 3.755,354 1.157,355 8.227,356 2.665,357 3.697,358 2.964,359 5.298,360 3.294,361 2.367,362 3.037,363 0.98,364 6.788,365 2.18,366 3.132,367 2.705,368 4.444,369 2.662,370 1.732,371 2.288,372 0.297,373 4.467,374 1.608,375 2.943,376 2.134,377 3.808,378 2.489,379 1.513,380 2.11,382 3.157,383 1.471,384 2.792,385 1.84,386 3.647,387 2.311,388 1.313,389 1.804,391 3.004,392 1.296,393 2.557,394 1.529,395 3.414,396 1.984,397 1,398 1.5,400 2.275,401 0.983,402 2.5,403 1.371,404 3.355,405 1.964,406 1,407 1.454,409 2.255,410 0.962,411 2.233,412 1,413 3.101,414 1.888,415 1,416 1.186,418 1.739,419 0.877,420 1.378,421 0.764,422 2.662,423 1.1,424 0.161,425 0.187,427 0.348,428 0.149,429 1.021,430 0.49,431 2,432 0.726,433 -0.236,434 -0.275,436 -0.453,437 -0.226,438 0.737,439 0.149,440 2,441 0.373,442 -0.587,443 -0.724,445 -1.221,446 -0.557,447 0.5,448 -0.25,449 2,450 0.056,451 -0.922,452 -1.162,454 -1.945,455 -0.859,456 0.485,457 -0.539,458 1.809,459 0.003,460 -1,461 -1.385,463 -2,464 -0.946,465 0.437,466 -0.833,467 1.576,468 -0.049,469 -1,470 -1.477,472 -2.213,473 -0.947,474 9.6,475 0.457,476 0.383,477 0.018,478 27,479 1.286,480 13,481 0.619,482 14,483 0.667,484 12.799,485 0.609,486 23.4,487 0.632,488 19.687,489 0.937,490 6.131,491 0.292,492 4.072,493 0.194,494 0.111,496 0.24,501 0.858,502 1.453,503 0.784,504 1.133,505 0.778,506 0.965,507 1.003,508 0.961,509 0.99,510 0.838,511 0.554,512 0.887,513 0.892,514 1.272,515 1.033,516 1.317,517 0.804,518 1.228,519 1.036,520 1.096,521 1.045,522 1.162,523 0.825,524 1.116,525 1.181,526 0.887,527 1.036,528 0.913,529 0.993,530 0.942,531 0.997,532 1.043,533 1.003,534 0.964,535 0.875,536 0.978,537 0.839,538 0.607,539 0.958,540 0.678,541 0.855,542 0.808,543 0.721,544 1.014,545 0.959,546 1.064,547 0.745,548 1.085,549 3.5,550 0.112,551 2.222,552 0.875,553 0.644,554 0.507,555 0.324,556 0.125,557 0.094,558 0.128,559 4550,560 15082,561 1.995,562 43.2,564 5,565 4,566 4,567 3,572 1.625,573 1.881,574 3.342,575 1.156,577 1,582 62.692,583 1.694,584 3.618,585 4.186,586 4.574,587 4.831,588 4.831,589 2.761,590 3.69,591 4.365,592 3.508,593 736.647,594 7.445,595 8263.59,597 1,600 192.75,601 1.322,602 4.328,603 0.159,604 0.01,605 0.079,606 0.031,607 0.028,608 0.027,609 0.019,610 0.007,611 0.006,612 0.01,613 0.377,614 0.5,615 1,616 1.142,617 97.48,618 -0.038,619 -0.204,620 0.022,621 -0.058,622 -0.076,623 -0.015,624 -0.06,625 0.2,626 -0.106,627 0.161,628 0.038,629 0.041,630 -0.086,631 -0.195,632 -0.156,633 -0.259,634 -0.045,635 -0.231,636 -0.056,637 -0.161,638 -0.057,639 -0.2,640 -0.019,641 -0.139,642 -0.056,643 -0.011,644 0.01,645 0.003,646 -0.078,647 0.015,648 -0.014,649 -0.123,650 0.001,651 -0.014,652 -0.016,653 -0.001,654 0.085,655 0.346,656 0.039,657 0.27,658 0.02,659 0.17,660 0.013,661 -0.032,662 -0.045,663 0.006,664 -0.065,665 -0.037,666 2.129,667 3.956,668 0.571,669 17.32,670 1.019,671 1.138,672 0.568,673 0.322,674 0.647,675 3.135,676 3.367,677 3.555,678 3.689,679 3.829,680 3.738,681 3.689,682 3.584,683 3.638,684 3.784,685 6.171,686 0.632,687 288.34,688 3.135,689 4.615,690 5.416,691 6.24,692 7.059,693 7.886,694 8.709,695 9.538,696 10.362,697 11.19,698 10.8,705 1,707 1,708 2,715 8,720 2,721 2,722 12,726 1,728 1,741 37,743 14,745 22,747 38,748 14,749 10,752 2,756 2,757 2,772 12,773 2,777 2,782 1,784 1,785 1,786 1,789 1,790 1,793 16,794 5,795 3,796 7,802 4,803 2,808 1,809 3,822 2,829 2,857 1,858 1,859 2,868 21,869 1,875 1,876 2,878 1,893 8.1,896 1,897 1,898 1,901 11.167,902 6.317,903 4.889,904 1.912,907 2.535,908 1.402,909 0.924,910 5.511,911 8.841,912 3.434,913 3.951,914 4.454,915 4.925,916 5.385,917 5.357,918 5.453,919 5.353,920 5.576,921 6.033,922 0.857,923 28,924 7.644,926 3.067,927 0.026,929 8.048,931 14.133,933 10.69,936 2.548,937 53.5,941 153.024,942 102.545,943 49.943,945 78.95,948 102.545,949 231.975,950 49.943,952 41.224,953 47.381,954 100.779,955 89.138,956 47.084,957 58.856,959 153.024,960 152.488,961 78.95,964 153.024,965 67.951,966 11,968 84.371,969 55.271,970 12.846,972 153.024,973 128.893,974 102.545,977 153.024,978 18.974,979 87.369,981 125.095,982 153.024,983 128.893,984 102.545,986 0.556,987 0.319,988 0.165,989 0.087,990 11,991 5,992 0.158,993 6,995 1,996 3.426,997 143.003,999 12,1000 88.239,1005 15.25,1006 7.59,1007 4.424,1009 125.095,1010 14.002,1015 1.166,1016 3.563,1017 75.703,1018 384.463,1019 30,1024 10.956,1026 1.332,1027 3.009,1028 -0.462,1031 37.691,1032 42.113,1034 0.325,1035 0.694,1036 0.804,1037 0.878,1038 0.927,1039 0.927,1040 4.605,1041 1,1042 5.352,1043 2.275,1044 4.043,1045 4.635,1046 2.445,1047 6.061,1048 3.948,1049 5.779,1050 1,1051 6.851,1052 2.255,1053 3.434,1054 4.205,1056 6.81,1057 3.319,1058 7.047,1059 0.161,1060 8.454,1061 1.739,1062 5.533,1063 6.736,1064 3.137,1065 9.825,1066 5.352,1067 8.352,1068 -0.236,1069 10.12,1070 0.348,1071 5.771,1072 7.142,1074 11.417,1075 5.574,1076 9.688,1077 -0.587,1078 11.825,1079 -0.453,1080 7.299,1081 9.111,1082 4.014,1083 13.9,1084 7.046,1085 11.046,1086 -0.922,1087 13.556,1088 -1.221,1089 7.938,1090 9.92,1092 15.823,1093 7.67,1094 12.422,1095 -1,1096 15.305,1097 -1.945,1098 9.205,1099 11.618,1100 4.989,1101 18.117,1102 8.89,1103 2.846,1104 -1,1105 17.066,1106 -2,1107 10.041,1108 12.643,1110 20.181,1111 9.708,1112 2.782,1113 9.03,1114 18.836,1115 -2.213,1116 11.185,1117 14.194,1118 6.01,1119 22.402,1120 10.813,1121 2.367,1122 8.227,1123 20.612,1124 3.84,1125 12.119,1126 15.342,1128 24.529,1129 11.725,1130 1.732,1131 6.788,1132 22.393,1133 3.755,1134 13.205,1135 16.808,1136 7.052,1137 26.724,1138 12.775,1139 1.513,1140 4.467,1141 24.178,1142 3.037,1143 14.188,1144 18.029,1146 28.88,1147 13.734,1148 1.313,1149 3.157,1150 25.965,1151 2.288,1152 15.246,1153 19.445,1154 8.103,1155 31.067,1156 14.76,1157 1,1158 3.004,1159 27.755,1160 2.11,1161 16.254,1162 20.71,1164 33.238,1165 15.742,1166 4614,1167 8473,1168 14.504,1169 23.955,1170 31.956,1171 34.429,1172 32.682,1173 31.41,1174 31.43,1175 42.321,1176 8.263,1177 82.579,1178 29.924,1179 5.089,1180 5.627,1181 5.91,1182 4.878,1183 4.846,1184 6.84,1185 3.394,1186 15.11,1187 4.714,1188 10.327,1189 1.453,1190 1.565,1191 1.486,1192 1.428,1193 1.429,1194 1.924,1195 0.376,1196 3.754,1197 1.36,1198 3.999,1199 4.044,1200 3.941,1201 3.85,1202 7.437,1203 3.866,1204 3.93,1205 3.975,1206 3.876,1207 3.803,1208 6.546,1209 3.815,1210 3.458,1211 3.503,1212 3.382,1213 3.179,1214 4.917,1215 3.22,1216 3.293,1217 3.35,1218 3.212,1219 3.061,1220 4.84,1221 3.082,1222 3.239,1223 3.298,1224 3.116,1225 2.954,1226 4.727,1227 2.986,1228 2.932,1229 3.026,1230 2.769,1231 2.735,1232 4.405,1233 2.715,1234 2.854,1235 2.925,1236 2.687,1237 2.672,1238 4.103,1239 2.686,1240 2.739,1241 2.807,1242 2.586,1243 2.5,1244 3.705,1245 2.51,1246 0.192,1247 0.165,1248 0.279,1249 0.172,1250 0.129,1251 4.218,1252 0.175,1253 3.627,1254 0.077,1255 6.137,1256 0.41,1257 3.787,1258 0.126,1259 2.846,1260 3.84,1261 1.697,1262 9.03,1263 2.772,1264 1.915,1265 1.875,1266 2.025,1267 2.092,1268 1.129,1269 2.073,1270 1.888,1271 1.848,1272 1.996,1273 2.04,1274 1.088,1275 2.03,1276 1.334,1277 1.288,1278 1.548,1279 1.642,1280 0.678,1281 1.607,1282 1.195,1283 1.139,1284 1.39,1285 1.487,1286 0.52,1287 1.442,1288 1.133,1289 1.069,1290 1.363,1291 1.453,1292 0.335,1293 1.441,1294 0.886,1295 0.821,1296 1.227,1297 1.185,1298 0.218,1299 1.209,1300 0.886,1301 0.797,1302 1.181,1303 1.062,1304 0.056,1305 1.107,1306 0.701,1307 0.623,1308 1.034,1309 0.974,1310 0.016,1311 0.996,1312 3.807,1314 5.056,1316 6.506,1318 8.045,1320 9.626,1326 5.17,1327 8.592,1328 0.614,1330 5.56,1340 23.391,1341 62.692,1342 133.856,1343 154.875,1344 169.24,1345 178.75,1346 178.75,1347 33.714,1348 6.306,1349 92.67,1350 92.67,1351 12,1352 11.765,1353 3.907,1354 3.17,1355 39.59,1356 79,1357 65,1358 0.247,1359 148.951,1360 256.13,1361 355.199,1362 4213,1364 15.079,1365 0.718,1366 0.543,1367 15.079,1368 11.399,1369 10.203,1370 0.464,1371 0.292,1372 6.27,1373 9.592,1374 6.183,1375 5.171,1376 10.203,1377 6.423,1378 8.549,1379 0.305,1380 0.161,1381 8.549,1382 4.497,1383 6.747,1384 0.198,1385 0.089,1386 6.747,1387 3.017,1388 5.228,1389 0.134,1390 0.049,1391 5.228,1392 1.898,1393 3.986,1394 0.089,1395 0.027,1396 3.986,1397 1.22,1398 0.398,1399 65.58,1400 0.263,1401 21.355,1402 0.647,1403 100,1404 341.244,1405 113.331,1406 325.049,1407 423.78,1408 300,1409 112,1410 296.778,1411 125.446,1412 299.077,1413 420.59,1414 277,1415 4.051}
{0 CHEMBL330883,1 1.272,2 5.75,3 3.246,4 10.538,5 66.339,6 6.635,7 0.611,8 3.551,9 3.686,10 3.038,11 3.165,12 4.527,13 3.107,14 4.103,15 4.287,16 3.387,17 3.585,18 4.978,19 3.492,20 4.437,21 4.675,22 3.552,23 3.771,24 5.28,25 3.662,26 4.468,27 4.721,28 3.34,29 3.681,30 5.347,31 3.533,32 4.34,33 4.628,34 3.021,35 3.482,36 5.153,37 3.309,38 4.106,39 4.397,40 2.523,41 3.237,42 4.793,43 2.999,44 3.853,45 4.191,46 1.97,47 2.852,48 4.369,49 2.553,50 3.277,51 3.659,52 0.753,53 2.065,54 3.664,55 1.662,56 0.04,57 0.46,58 7.339,59 3.065,60 5.921,61 4.364,62 0.059,63 0.763,64 13.059,65 5.543,66 7.667,67 7.93,68 0.114,69 1.031,70 18.846,71 7.274,72 14.85,73 10.688,74 0.178,75 1.058,76 19.787,77 6.991,78 22.857,79 10.465,80 0.158,81 0.891,82 17.632,83 6.041,84 21.725,85 9.144,86 0.088,87 0.664,88 13.677,89 5.5,90 14.065,91 8.026,92 0.053,93 0.471,94 10.658,95 4.534,96 8.919,97 6.582,98 0.033,99 0.243,100 6.025,101 2.455,102 5.495,103 3.621,104 2,105 25,106 0.24,107 0.601,108 0.722,109 0.837,110 0.872,111 0.872,112 2.857,113 1.003,114 -3.7,115 -3.67,116 -3.49,121 43.8,123 5,144 4,145 2,146 1,148 2,165 1,166 1,167 1,176 9,180 4,185 2,187 10,189 2,192 4,197 2,200 9,203 2,206 3,208 1,209 1,211 4,214 6,216 4,224 3,227 9,229 3,239 8,251 4,281 172,282 11.121,283 11.121,284 11.121,285 11.121,286 11.121,287 9.781,288 7.039,289 6.683,290 11.186,291 8.9,292 8.9,293 8.9,294 8.9,295 8.9,296 6.868,297 3.386,298 3.174,299 9.026,300 3.728,301 1.812,302 1.172,303 0.563,304 0.375,305 0.375,306 3.538,311 1,312 1,313 203,314 1.581,318 47.922,319 29.81,322 40.744,323 44.782,325 0.906,326 8.415,328 1,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 33,338 92,339 4.624,340 3.328,341 6.768,342 4.182,343 3.201,344 4.554,346 11.034,347 3.141,348 3.907,349 2.654,350 5.981,351 3.517,352 2.524,353 3.429,355 8.363,356 2.504,357 3.475,358 2.261,359 5.281,360 3.058,361 2.096,362 2.854,364 6.335,365 2.014,366 2.936,367 1.66,368 4.142,369 2.624,370 1.63,371 2.138,373 3.469,374 1.619,375 2.646,376 1.536,377 3.795,378 2.411,379 1.414,380 1.662,382 3.396,383 1.409,384 2.609,385 1.417,386 3.65,387 2.34,388 1.346,389 1.632,391 3.026,392 1.337,393 2.114,394 0.967,395 3.453,396 1.86,397 0.878,398 1.059,400 2.053,401 0.861,402 1.424,403 0.313,404 2.911,405 1.127,406 0.167,407 0.196,409 0.41,410 0.16,411 1.101,412 -0.039,413 2.526,414 0.798,415 -0.19,416 -0.221,418 -0.465,419 -0.188,420 0.763,421 -0.315,422 2.334,423 0.588,424 -0.391,425 -0.462,427 -0.902,428 -0.383,429 0.59,430 -0.762,431 2,432 0.169,433 -0.818,434 -1.129,436 -1.984,437 -0.807,438 0.319,439 -0.965,440 1.831,441 -0.052,442 -1.036,443 -1.383,445 -2.617,446 -1.019,447 -0.178,448 -1.275,449 1.514,450 -0.446,451 -1.414,452 -1.701,454 -3.587,455 -1.37,456 -0.256,457 -1.527,458 1.308,459 -0.67,460 -1.651,461 -1.929,463 -4.343,464 -1.61,465 -0.5,466 -1.639,467 1.107,468 -0.797,469 -1.795,470 -2.13,472 -5.136,473 -1.792,474 7.8,475 0.488,476 0.312,477 0.019,478 20.25,479 1.266,480 10.5,481 0.656,482 9.75,483 0.609,484 11.988,485 0.749,486 16.8,487 0.525,488 10.867,489 0.679,490 3.526,491 0.22,492 4.334,493 0.271,494 0.051,496 0.321,501 1.067,502 1.038,503 0.914,504 0.94,505 1.133,506 0.92,507 0.692,508 1.196,509 0.911,510 1.094,511 0.597,512 1.032,513 0.946,514 1.079,515 0.845,516 0.935,517 0.766,518 0.892,519 1.422,520 1.174,521 1.187,522 1.13,523 1.273,524 1.139,525 1.698,526 0.872,527 1.162,528 0.907,529 1.716,530 0.979,531 0.927,532 0.965,533 1.197,534 1.144,535 1.229,536 1.182,537 0.269,538 0.838,539 0.883,540 0.995,541 0.433,542 0.986,543 0.24,544 0.748,545 0.788,546 0.889,547 0.366,548 0.88,549 2,551 1.778,552 1.313,553 1.058,554 0.354,555 0.069,556 0.015,559 1855,560 3480,561 2.174,562 50,563 8,564 4,567 2,568 2,572 1.558,573 2.087,574 2.602,575 0.329,577 1,578 1,579 1,582 40.697,583 1.272,584 3.188,585 3.828,586 4.438,587 4.625,588 4.625,589 1.924,590 3.625,591 3.979,592 2.616,593 313.948,594 6.729,595 2624.14,597 1,599 1,600 160,601 1.198,602 3.954,603 0.111,605 0.071,606 0.045,607 0.05,608 0.024,609 0.009,610 0.004,613 0.314,614 1,615 1,616 0.5,617 61.956,618 -0.088,619 0.108,620 0.042,621 0.102,622 -0.077,623 0.086,624 0.08,625 -0.151,626 0.036,627 -0.063,628 0.102,629 -0.025,630 0.079,631 -0.069,632 0.129,633 0.045,634 0.126,635 0.083,636 -0.053,637 -0.142,638 -0.197,639 -0.202,640 -0.003,641 -0.209,642 -0.309,643 0.129,644 -0.165,645 0.007,646 -0.294,647 -0.055,648 -0.179,649 -0.062,650 -0.248,651 -0.174,652 -0.257,653 -0.209,654 0.117,655 -0.05,656 0.054,657 -0.009,658 0.033,659 0.013,660 0.189,661 -0.024,662 0.161,663 0.066,664 0.116,665 0.103,666 0.706,667 2.269,668 0.938,669 7.25,670 0.981,671 1.122,672 2.472,673 6.111,674 0.667,675 2.944,676 3.258,677 3.584,678 3.871,679 4.127,680 4.22,681 4.22,682 4.263,683 4.277,684 4.111,685 3.622,686 0.617,687 212.32,688 2.944,689 4.466,690 5.333,691 6.217,692 7.102,693 7.996,694 8.888,695 9.785,696 10.679,697 11.578,698 6.3,702 1,708 1,714 2,715 4,716 1,720 3,722 11,733 1,741 32,743 11,744 1,745 18,747 34,748 14,749 9,750 2,751 4,756 3,757 6,767 5,770 5,772 9,773 5,790 1,793 16,794 2,795 2,796 2,802 2,808 0.333,822 1,829 2,830 1,833 1,834 1,859 1,868 16,869 1,876 5,901 7.667,902 5.617,903 3.528,904 2.183,907 2.414,908 1.371,909 1.038,910 2.373,911 8.924,912 3.199,913 3.839,914 4.505,915 5.141,916 5.752,917 6.08,918 6.412,919 6.732,920 7.022,921 6.769,922 0.75,923 29,924 5.935,926 2.537,927 0.026,929 7.427,931 11.861,933 10.209,936 1.927,937 30.833,938 0.007,941 164.795,942 63.994,943 49.683,948 63.994,949 164.795,950 49.683,952 12.673,953 70.802,954 16.786,955 13.416,957 164.795,959 164.795,960 113.677,964 164.795,968 17.574,969 79.317,970 16.786,972 164.795,973 49.683,974 63.994,977 164.795,978 26.089,979 37.905,981 49.683,982 164.795,983 49.683,984 63.994,986 0.575,987 0.351,988 0.204,989 0.114,990 14,991 5,994 2,995 1.267,996 2.822,997 116.256,998 0.267,999 15,1000 64,1005 9.797,1006 3.875,1007 1.63,1008 2.156,1009 49.683,1010 8.182,1011 4.757,1015 3.493,1017 32.897,1018 278.472,1019 23.5,1031 31.389,1032 35.903,1034 0.254,1035 0.638,1036 0.766,1037 0.888,1038 0.925,1039 0.925,1040 4.416,1041 0.167,1042 5.303,1043 2.053,1044 3.932,1045 4.522,1047 6.138,1048 3.9,1049 5.621,1050 -0.19,1051 6.87,1052 0.41,1053 3.434,1054 4.407,1056 7.091,1057 3.374,1058 6.941,1059 -0.391,1060 8.548,1061 -0.465,1062 5.525,1063 6.831,1065 10.255,1066 5.46,1067 8.307,1068 -0.818,1069 10.294,1070 -0.902,1071 5.916,1072 7.603,1074 12.062,1075 5.821,1076 9.711,1077 -1.036,1078 12.083,1079 -1.984,1080 7.439,1081 9.484,1083 14.732,1084 7.337,1085 11.142,1086 -1.414,1087 13.9,1088 -2.617,1089 8.256,1090 10.658,1092 16.873,1093 8.127,1094 12.595,1095 -1.651,1096 15.737,1097 -3.587,1098 9.549,1099 12.323,1101 19.375,1102 9.408,1103 3.201,1104 -1.795,1105 17.588,1106 -4.343,1107 10.56,1108 13.683,1110 21.658,1111 10.395,1112 2.524,1113 11.034,1114 19.45,1115 -5.136,1116 11.765,1117 15.258,1119 24.098,1120 11.585,1121 2.096,1122 8.363,1123 21.319,1124 4.554,1125 12.861,1126 16.703,1128 26.444,1129 12.659,1130 1.63,1131 6.335,1132 23.195,1133 3.429,1134 14.034,1135 18.242,1137 28.86,1138 13.815,1139 1.414,1140 3.469,1141 25.076,1142 2.854,1143 15.166,1144 19.725,1146 31.234,1147 14.926,1148 1.346,1149 3.396,1150 26.961,1151 2.138,1152 16.33,1153 21.25,1155 33.64,1156 16.071,1157 0.878,1158 3.026,1159 28.85,1160 1.662,1161 17.478,1162 22.751,1164 36.028,1165 17.199,1166 1807,1167 2548,1168 12.425,1169 21.341,1170 26.582,1171 26.708,1172 27.515,1173 26.504,1174 26.513,1175 35.048,1177 76.175,1178 26.09,1179 5.51,1180 5.328,1181 6.52,1182 5.225,1183 5.201,1184 7.554,1186 18.567,1187 5.141,1188 4.188,1189 1.477,1190 1.484,1191 1.529,1192 1.472,1193 1.473,1194 1.947,1196 4.232,1197 1.449,1198 4.101,1199 4.131,1200 4.062,1201 4.031,1202 5.143,1203 4.035,1204 3.748,1205 3.8,1206 3.624,1207 3.66,1208 4.781,1209 3.645,1210 3.373,1211 3.437,1212 3.248,1213 3.254,1214 4.385,1215 3.246,1216 3.273,1217 3.351,1218 3.111,1219 3.118,1220 4.035,1221 3.102,1222 3.011,1223 3.107,1224 2.854,1225 2.836,1226 3.718,1227 2.831,1228 2.806,1229 2.893,1230 2.642,1231 2.67,1232 3.593,1233 2.655,1234 2.681,1235 2.781,1236 2.479,1237 2.38,1238 3.366,1239 2.393,1240 2.222,1241 2.369,1242 1.922,1243 1.937,1244 3.031,1245 1.909,1246 0.257,1247 0.185,1248 0.376,1249 0.232,1250 0.178,1251 4.624,1252 0.253,1253 3.328,1255 6.768,1256 0.613,1257 4.182,1258 0.174,1259 3.201,1260 4.554,1262 11.034,1263 3.141,1264 2.049,1265 2.025,1266 2.12,1267 2.134,1268 1.327,1269 2.132,1270 1.705,1271 1.641,1272 1.964,1273 1.865,1274 1.298,1275 1.903,1276 1.614,1277 1.573,1278 1.797,1279 1.729,1280 1.021,1281 1.754,1282 1.134,1283 1.063,1284 1.392,1285 1.397,1286 0.488,1287 1.404,1288 0.966,1289 0.903,1290 1.209,1291 1.175,1292 0.41,1293 1.188,1294 0.736,1295 0.636,1296 1.137,1297 0.985,1298 0.218,1299 1.044,1300 0.615,1301 0.481,1302 1.027,1303 0.975,1304 0.089,1305 1.009,1306 0.508,1307 0.419,1308 0.886,1309 0.732,1311 0.79,1312 3.611,1314 4.92,1316 6.447,1317 2.708,1318 8.086,1319 5.094,1320 9.786,1326 6.269,1328 5.977,1340 19.73,1341 40.697,1342 102.026,1343 122.49,1344 142,1345 148,1346 148,1347 17.466,1348 6.51,1349 38.91,1350 38.91,1351 19,1352 12.102,1353 3.585,1354 2.7,1355 21.599,1356 38,1357 23,1358 0.325,1359 121.835,1360 200.68,1361 289.037,1362 4988,1364 10.958,1365 0.685,1366 0.586,1367 10.958,1368 9.369,1369 7.86,1370 0.437,1371 0.334,1372 5.996,1373 7.766,1374 5.868,1375 4.862,1376 7.86,1377 6.02,1378 6.865,1379 0.275,1380 0.181,1381 6.865,1382 4.529,1383 6.142,1384 0.175,1385 0.099,1386 6.142,1387 3.463,1388 5.326,1389 0.113,1390 0.055,1391 5.326,1392 2.587,1393 4.423,1394 0.073,1395 0.031,1396 4.423,1397 1.907,1398 0.469,1399 47.858,1400 0.284,1401 15.554,1402 1.021,1403 86,1404 174.957,1405 89.081,1406 179.723,1407 259.37,1408 170,1409 103,1410 202.662,1411 106.497,1412 208.717,1413 308.58,1414 199,1415 7.409}
{0 CHEMBL33098,1 1.322,2 13.5,3 5.569,4 31.018,5 106.729,6 5.976,7 0.214,8 4.142,9 4.283,10 3.518,11 3.645,12 5.007,13 3.579,14 4.768,15 4.984,16 3.85,17 4.071,18 5.606,19 3.959,20 5.069,21 5.343,22 3.844,23 4.209,24 5.758,25 4.054,26 5.068,27 5.341,28 3.79,29 4.179,30 5.807,31 4.013,32 5.048,33 5.333,34 3.717,35 4.084,36 5.813,37 3.92,38 4.916,39 5.19,40 3.588,41 3.957,42 5.708,43 3.796,44 4.791,45 5.068,46 3.503,47 3.825,48 5.614,49 3.674,50 4.644,51 4.894,52 3.397,53 3.692,54 5.591,55 3.563,56 0.068,57 0.832,58 15.118,59 6.108,60 7.682,61 8.787,62 0.394,63 1.374,64 27.831,65 10.24,66 33.02,67 15.171,68 0.302,69 1.657,70 36.127,71 12.98,72 26.994,73 19.395,74 0.296,75 1.614,76 36.022,77 13.037,78 33.786,79 19.303,80 0.34,81 1.508,82 35.347,83 12.028,84 37.433,85 17.994,86 0.387,87 1.305,88 31.29,89 10.611,90 34.09,91 15.635,92 0.277,93 1.16,94 27.534,95 9.172,96 29.328,97 13.698,98 0.404,99 1.01,100 24.596,101 7.57,102 39.136,103 11.231,104 25,105 37,106 0.219,107 0.467,108 0.702,109 0.837,110 0.89,111 0.89,112 3.303,113 1.13,114 -4.84,115 -4.75,116 -4.46,121 36.7,122 2,123 8,124 1,127 3,129 1,144 3,145 2,146 1,161 1,176 13,179 1,180 6,183 2,185 1,187 14,192 5,197 1,200 11,206 8,211 3,214 7,219 7,224 3,227 7,231 1,232 4,237 3,239 6,244 4,249 3,251 7,255 1,256 3,259 1,264 7,269 3,277 8,281 1126,282 17.999,283 17.999,284 17.999,285 17.999,286 17.999,287 17.145,288 21.27,289 11.24,290 18.283,291 13.817,292 13.817,293 13.817,294 13.817,295 13.817,296 12.419,297 25.418,298 5.297,299 14.268,300 4.585,301 3.085,302 1.664,303 0.85,304 0.525,305 0.525,306 3.989,311 1,312 1,313 742,314 4,317 107.831,318 63.062,320 87.544,321 93.645,324 131.664,325 2.115,326 17.584,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 55,338 351,339 4.47,340 3.669,341 6.876,342 4.268,343 3.285,344 4.007,345 2.186,346 11.525,347 3.232,348 3.909,349 3.518,350 6.017,351 3.628,352 2.684,353 3.142,354 0.8,355 8.572,356 2.531,357 3.657,358 2.864,359 5.433,360 3.366,361 2.425,362 2.802,363 0.366,364 7.172,365 2.259,366 3.33,367 2.501,368 5.126,369 2.994,370 2.029,371 2.519,373 5.819,374 1.948,375 3.055,376 2.138,377 4.796,378 2.855,379 1.865,380 2.174,382 5.421,383 1.844,384 2.843,385 1.9,386 4.463,387 2.807,388 1.808,389 1.842,391 4.045,392 1.8,393 2.544,394 1.575,395 3.827,396 2.411,397 1.429,398 1.548,400 3.616,401 1.4,402 2.43,403 1.55,404 3.791,405 2.366,406 1.374,407 1.419,409 2.744,410 1.359,411 2.261,412 1.191,413 3.396,414 2.108,415 1.121,416 1.239,418 2.662,419 1.105,420 1.983,421 1.036,422 3.221,423 1.884,424 0.899,425 0.964,427 1.744,428 0.884,429 1.846,430 0.95,431 3.037,432 1.78,433 0.804,434 0.822,436 1.467,437 0.781,438 1.557,439 0.85,440 2.885,441 1.38,442 0.403,443 0.444,445 0.914,446 0.392,447 1.17,448 0.479,449 2.54,450 1.099,451 0.127,452 0.13,454 0.226,455 0.123,456 1.063,457 0.286,458 2.376,459 0.769,460 -0.195,461 -0.222,463 -0.427,464 -0.186,465 0.625,466 -0.173,467 2.184,468 0.439,469 -0.521,470 -0.535,472 -0.968,473 -0.499,474 12.467,475 0.479,476 0.448,477 0.017,478 24,479 0.923,480 8,481 0.308,482 16,483 0.615,484 28.618,485 1.101,486 30.733,487 0.512,488 14.589,489 0.561,490 3.759,491 0.145,492 8.965,493 0.345,494 0.107,496 0.273,501 0.796,502 1.475,503 1.022,504 1.315,505 0.592,506 1.206,507 0.635,508 1.184,509 1.033,510 1.141,511 0.397,512 1.122,513 0.95,514 1.004,515 0.965,516 0.981,517 0.659,518 0.97,519 0.993,520 1.082,521 0.992,522 1.063,523 0.9,524 1.033,525 1.231,526 0.999,527 0.963,528 0.966,529 1.265,530 0.941,531 1.471,532 0.962,533 1.05,534 0.963,535 1.411,536 0.969,537 1.407,538 1.049,539 0.983,540 0.986,541 1.631,542 0.95,543 2.091,544 0.905,545 1.265,546 0.941,547 2.671,548 1.01,549 4,550 0.094,551 2.222,552 1.576,553 1.103,554 0.625,555 0.471,556 0.291,557 0.232,558 0.115,559 8613,560 14560,561 2.059,562 56.7,563 14,564 10,567 1,569 9,572 1.685,573 1.95,574 3.672,575 -0.408,582 79.332,583 1.322,584 2.822,585 4.243,586 5.057,587 5.382,588 5.382,589 3.229,590 4.47,591 4.658,592 3.828,593 1244,594 8.048,595 16354,600 354.413,601 1.3,602 4.642,603 0.143,604 0.006,605 0.06,606 0.044,607 0.033,608 0.021,609 0.018,610 0.012,611 0.011,612 0.006,613 0.355,614 0.33,615 1,616 2.375,617 130.621,618 0.02,619 -0.133,620 0.061,621 -0.048,622 0.015,623 0.002,624 0.297,625 0.001,626 0.01,627 -0.037,628 0.24,629 -0.041,630 -0.036,631 0.027,632 0.026,633 0.025,634 0.018,635 0.033,636 -0.02,637 -0.078,638 -0.003,639 -0.056,640 0.032,641 -0.031,642 -0.035,643 -0.038,644 0.04,645 -0.008,646 -0.023,647 0.02,648 -0.039,649 -0.003,650 -0.022,651 -0.001,652 -0.095,653 -0.01,654 -0.045,655 -0.089,656 0.04,657 -0.028,658 -0.087,659 0.008,660 -0.131,661 0.11,662 -0.156,663 -0.004,664 -0.244,665 -0.074,666 1.992,667 5.025,668 0.462,669 31.533,670 0.983,671 1.134,672 3.614,673 13.063,674 0.618,675 3.367,676 3.638,677 3.912,678 4.22,679 4.419,680 4.585,681 4.771,682 4.86,683 4.868,684 4.913,685 7.419,686 0.565,687 358.58,688 3.367,689 4.875,690 5.714,691 6.586,692 7.46,693 8.353,694 9.247,695 10.154,696 11.06,697 11.974,698 3.3,701 1,705 1,715 3,720 3,722 6,737 1,741 60,743 7,744 1,745 28,747 62,748 22,749 6,750 3,751 3,756 3,757 6,763 2,767 3,768 1,770 9,772 7,773 15,774 1,777 1,782 1,786 1,793 34,794 4,795 1,796 4,802 2,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 2,868 26,876 11,877 1,878 1,880 2,881 1,893 3.3,896 1,898 1,901 13.333,902 10.95,903 6.028,904 4.489,907 1.284,908 1.174,909 0.937,910 7.243,911 8.663,912 3.497,913 3.922,914 4.36,915 4.87,916 5.335,917 5.592,918 5.946,919 6.23,920 6.285,921 6.421,922 1,923 36,924 9.723,926 4.013,927 0.026,929 7.455,931 19.599,933 16.474,936 1.955,937 50.833,941 388.446,942 91.05,943 21.135,945 36.145,948 91.05,949 424.591,950 21.135,951 17.65,952 44.604,953 28.429,954 25.145,955 25.739,956 6.763,957 388.446,959 388.446,960 112.185,961 36.145,964 282.506,965 142.085,968 65.379,969 46.806,972 388.446,973 57.28,974 91.05,977 388.446,978 44.97,979 49.203,980 18.011,981 36.145,982 388.446,983 57.28,984 91.05,986 0.552,987 0.315,988 0.178,989 0.097,990 16,991 7,992 0.161,993 10,994 2,995 1.333,996 3.951,997 204.153,998 0.333,999 12,1000 122.211,1005 19.538,1006 9.639,1007 4.95,1009 57.28,1010 6.215,1015 3.518,1017 18.011,1018 536.776,1019 32,1024 12.025,1028 -0.325,1031 58.996,1032 68.059,1034 0.224,1035 0.478,1036 0.718,1037 0.856,1038 0.911,1039 0.911,1040 4.732,1041 1.374,1042 5.666,1043 3.616,1044 4.317,1045 4.605,1046 2.351,1047 6.466,1048 4.255,1049 5.85,1050 1.121,1051 7.206,1052 2.744,1053 3.761,1054 4.27,1055 1.847,1056 7.357,1057 3.657,1058 7.115,1059 0.899,1060 8.854,1061 2.662,1062 5.872,1063 6.56,1064 3.504,1065 10.518,1066 5.745,1067 8.418,1068 0.804,1069 10.572,1070 1.744,1071 6.236,1072 7.108,1073 3.598,1074 12.339,1075 6.08,1076 9.763,1077 0.403,1078 12.337,1079 1.467,1080 7.762,1081 8.885,1082 4.907,1083 15.006,1084 7.588,1085 11.136,1086 0.127,1087 14.135,1088 0.914,1089 8.571,1090 9.839,1091 5.29,1092 17.202,1093 8.383,1094 12.531,1095 -0.195,1096 15.958,1097 0.226,1098 9.868,1099 11.415,1100 6.387,1101 19.713,1102 9.666,1103 3.285,1104 -0.521,1105 17.801,1106 -0.427,1107 10.886,1108 12.57,1109 6.93,1110 22.058,1111 10.676,1112 2.684,1113 11.525,1114 19.658,1115 -0.968,1116 12.1,1117 14.056,1118 7.902,1119 24.521,1120 11.878,1121 2.425,1122 8.572,1123 21.528,1124 4.007,1125 13.21,1126 15.316,1127 8.539,1128 26.924,1129 12.98,1130 2.029,1131 7.172,1132 23.407,1133 3.142,1134 14.397,1135 16.757,1136 9.436,1137 29.372,1138 14.156,1139 1.865,1140 5.819,1141 25.295,1142 2.802,1143 15.548,1144 18.073,1145 10.13,1146 31.798,1147 15.298,1148 1.808,1149 5.421,1150 27.189,1151 2.519,1152 16.729,1153 19.49,1154 10.981,1155 34.243,1156 16.468,1157 1.429,1158 4.045,1159 29.089,1160 2.174,1161 17.898,1162 20.838,1163 11.71,1164 36.679,1165 17.626,1166 8552,1167 11301,1168 18.781,1169 37.103,1170 40.394,1171 41.532,1172 42.311,1173 40.543,1174 40.507,1175 46.103,1176 6.705,1177 111.854,1178 39.316,1179 5.432,1180 5.669,1181 6.84,1182 5.346,1183 5.285,1184 7.007,1185 3.889,1186 18.879,1187 5.232,1188 12.013,1189 1.443,1190 1.483,1191 1.511,1192 1.448,1193 1.447,1194 1.647,1195 0.239,1196 3.995,1197 1.404,1198 4.084,1199 4.118,1200 4.018,1201 4.008,1202 7.435,1203 4.006,1204 3.784,1205 3.851,1206 3.655,1207 3.648,1208 4.814,1209 3.63,1210 3.726,1211 3.776,1212 3.602,1213 3.58,1214 4.392,1215 3.582,1216 3.581,1217 3.651,1218 3.442,1219 3.389,1220 4.256,1221 3.383,1222 3.494,1223 3.567,1224 3.302,1225 3.353,1226 4.155,1227 3.33,1228 3.345,1229 3.402,1230 3.192,1231 3.107,1232 4.051,1233 3.126,1234 3.164,1235 3.24,1236 2.981,1237 3.004,1238 3.953,1239 2.989,1240 3.023,1241 3.093,1242 2.807,1243 2.789,1244 3.739,1245 2.785,1246 0.16,1247 0.131,1248 0.246,1249 0.152,1250 0.117,1251 4.47,1252 0.143,1253 3.669,1254 0.078,1255 6.876,1256 0.412,1257 4.268,1258 0.115,1259 3.285,1260 4.007,1261 2.186,1262 11.525,1263 3.232,1264 1.901,1265 1.883,1266 2.039,1267 1.992,1268 1.379,1269 1.998,1270 1.782,1271 1.718,1272 2.003,1273 1.947,1274 1.278,1275 1.978,1276 1.686,1277 1.616,1278 1.934,1279 1.887,1280 1.254,1281 1.905,1282 1.571,1283 1.514,1284 1.852,1285 1.786,1286 1.127,1287 1.808,1288 1.561,1289 1.489,1290 1.803,1291 1.712,1292 1.12,1293 1.747,1294 1.389,1295 1.315,1296 1.672,1297 1.611,1298 0.933,1299 1.639,1300 1.268,1301 1.201,1302 1.577,1303 1.549,1304 0.778,1305 1.556,1306 1.057,1307 1.001,1308 1.335,1309 1.322,1310 0.513,1311 1.328,1312 4.043,1314 5.323,1315 3.045,1316 6.792,1317 5.476,1318 8.368,1319 7.636,1320 10.015,1322 4.463,1328 12.636,1329 2.877,1330 5.527,1332 1.263,1333 2.635,1340 33.901,1341 79.332,1342 169.291,1343 254.581,1344 303.394,1345 322.904,1346 322.904,1347 45.63,1348 7.378,1349 41.57,1350 41.57,1351 16,1352 12.489,1353 3,1354 2.322,1355 44.795,1356 113,1357 146,1358 0.193,1359 209.493,1360 370.2,1361 502.924,1362 15845,1364 18.355,1365 0.706,1366 0.632,1367 18.355,1368 16.429,1369 12.724,1370 0.454,1371 0.377,1372 10.459,1373 12.362,1374 10.197,1375 8.537,1376 12.724,1377 10.551,1378 10.69,1379 0.289,1380 0.211,1381 10.69,1382 7.794,1383 8.753,1384 0.179,1385 0.12,1386 8.753,1387 5.878,1388 7.512,1389 0.112,1390 0.068,1391 7.512,1392 4.572,1393 5.862,1394 0.071,1395 0.038,1396 5.862,1397 3.131,1398 0.312,1399 78.766,1400 0.231,1401 25.823,1402 0.499,1403 130,1404 297.449,1405 140.889,1406 284.113,1407 392.67,1408 268,1409 151,1410 292.064,1411 160.812,1412 292.211,1413 431.3,1414 277,1415 6.201}
{0 CHEMBL33101,1 1.524,2 7.25,3 1.595,4 2.545,5 63.077,6 6.287,7 0.313,8 3.65,9 3.794,10 3.049,11 2.994,12 4.753,13 2.969,14 4.186,15 4.422,16 3.333,17 3.364,18 5.072,19 3.316,20 4.352,21 4.548,22 3.299,23 3.539,24 5.3,25 3.417,26 4.689,27 5.021,28 3.183,29 3.442,30 5.445,31 3.276,32 4.164,33 4.412,34 3.053,35 3.17,36 5.17,37 3.079,38 4.277,39 4.575,40 2.857,41 3.168,42 5.189,43 3.035,44 3.98,45 4.231,46 2.818,47 3.172,48 4.81,49 3.019,50 4.108,51 4.403,52 2.518,53 3.075,54 4.918,55 2.867,56 0.074,57 0.476,58 9.131,59 2.869,60 14.921,61 4.509,62 0.285,63 0.696,64 15.786,65 4.351,66 20.212,67 6.97,68 0.115,69 0.796,70 18.214,71 6.14,72 18.652,73 9.283,74 0.594,75 0.727,76 25.772,77 5.852,78 43.385,79 10.156,80 0.216,81 0.557,82 15.385,83 3.829,84 25.773,85 6.432,86 0.484,87 0.547,88 17.294,89 4.037,90 43.759,91 6.743,92 0.076,93 0.546,94 12.107,95 4.23,96 13.254,97 6.552,98 0.172,99 0.505,100 13.998,101 3.818,102 22.36,103 6.469,104 36,105 22,106 0.287,107 0.569,108 0.734,109 0.744,110 0.755,111 0.755,112 2.85,113 1,114 -2.25,115 -2.29,116 -2.26,121 30.6,122 3,125 1,126 1,127 1,128 1,147 1,153 1,157 1,163 1,172 1,176 3,180 1,182 2,187 3,191 1,192 3,194 1,205 1,209 1,213 1,216 1,218 1,229 3,232 1,235 1,244 4,256 3,261 1,274 3,281 286,282 10.077,283 10.077,284 10.077,285 10.077,286 10.077,287 9.057,288 13.118,289 6.001,290 10.473,291 7.848,292 7.848,293 7.848,294 7.848,295 7.848,296 6.534,297 18.506,298 2.733,299 8.435,300 3.646,301 2.153,302 1.279,303 1.223,304 1.168,305 1.168,306 3.465,311 1,312 1,313 222,314 3.536,317 50.1,325 1.156,326 10.08,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 35.5,338 116,339 4.399,340 3.631,341 6.471,342 4.092,343 3.102,344 4.086,345 1.697,346 10.012,347 3.074,348 4.097,349 3.178,350 6.393,351 3.937,352 3.018,353 3.098,354 1.041,355 9.942,356 2.768,357 3.168,358 3.065,359 4.952,360 2.796,361 1.908,362 2.335,364 5.418,365 1.692,366 3.041,367 2.281,368 4.113,369 2.474,370 1.528,371 2.128,373 3.602,374 1.443,375 2.367,376 1.665,377 3.518,378 1.972,379 1.122,380 1.257,382 2.487,383 0.948,384 2.203,385 1.426,386 3.125,387 1.81,388 0.858,389 1.156,391 1.562,392 0.814,393 1.177,394 0.695,395 2.833,396 1.038,397 0.106,398 0.111,400 0.219,401 0.097,402 0.708,403 0.368,404 2,405 0.511,406 -0.409,407 -0.447,409 -0.835,410 -0.373,411 0.403,412 -0.281,413 2,414 0.057,415 -0.867,416 -1,418 -1.69,419 -0.801,420 0.063,421 -0.955,422 2,424 -1,425 -1,427 -3,428 -1,430 -1,431 2,433 -1,434 -1.054,436 -3,437 -1,439 -1,440 1.668,441 -0.277,442 -1.196,443 -1.352,445 -3.153,446 -1.091,447 -0.313,448 -1.377,449 1.395,450 -0.67,451 -1.605,452 -1.826,454 -4.437,455 -1.496,456 -0.408,457 -1.508,458 0.768,459 -0.8,460 -1.706,461 -2.248,463 -5.201,464 -1.554,465 -0.518,466 -1.724,467 0.523,468 -0.956,469 -1.893,470 -2.537,471 -1.041,472 -5.424,473 -1.725,474 7.367,475 0.46,476 0.562,477 0.035,478 15,479 0.938,480 4.5,481 0.281,482 10.5,483 0.656,484 14.227,485 0.889,486 19.933,487 0.554,488 9.704,489 0.606,490 3.131,491 0.196,492 4.307,493 0.269,494 0.317,495 0.068,496 0.176,501 0.86,502 1.924,503 0.979,504 1.565,505 0.885,506 1.33,507 1.115,508 0.864,509 0.901,510 0.729,511 0.574,512 0.759,513 0.792,514 1.687,515 1.308,516 1.865,517 0.689,518 1.708,519 1.037,520 0.626,521 0.754,522 0.576,523 0.631,524 0.618,525 1.162,526 1.264,527 1.119,528 1.247,529 1.08,530 1.171,531 1.462,532 0.473,533 1.059,534 0.471,535 1.658,536 0.667,537 0.495,538 1.366,539 1.005,540 1.374,541 0.548,542 1.295,543 0.803,544 1.182,545 1.203,546 1.246,547 0.929,548 1.278,549 4.5,551 2,552 1.292,553 0.57,554 0.438,555 0.312,556 0.31,557 0.074,559 1713,560 4225,561 1.815,562 55.6,563 9,564 5,565 3,566 2,567 1,572 1.549,573 1.641,574 2.849,575 -0.168,577 1,578 1,579 1,582 54.87,583 1.524,584 3.017,585 3.891,586 3.947,587 4.002,588 4.002,589 2.281,590 3.578,591 3.97,592 3.033,593 363.912,594 6.678,595 3252.18,597 1,599 1,600 186.117,601 1.749,602 3.867,603 0.281,605 0.091,606 0.072,607 0.036,608 0.031,609 0.026,610 0.026,611 0.011,613 0.573,614 0.67,615 1,616 2.024,617 65.411,618 0.096,619 -0.47,620 0.052,621 -0.239,622 0.033,623 -0.127,624 -0.053,625 0.317,626 0.128,627 0.325,628 0.037,629 0.268,630 -0.002,631 -0.402,632 -0.347,633 -0.618,634 -0.064,635 -0.558,636 0.08,637 0.106,638 0.219,639 0.223,640 0.091,641 0.24,642 -0.045,643 -0.193,644 -0.104,645 -0.252,646 0.048,647 -0.187,648 -0.139,649 0.372,650 -0.037,651 0.369,652 -0.121,653 0.21,654 -0.003,655 -0.207,656 -0.109,657 -0.184,658 -0.037,659 -0.171,660 -0.118,661 -0.182,662 -0.281,663 -0.27,664 -0.118,665 -0.298,666 1.097,667 2.544,668 0.313,669 10.859,670 0.999,671 1.151,672 1.025,673 1.05,674 0.594,675 2.833,676 3.135,677 3.178,678 3.332,679 3.258,680 3.178,681 3.135,682 3.045,683 2.773,684 1.792,685 4.64,686 0.555,687 226.34,688 2.833,689 4.344,690 5.118,691 5.984,692 6.786,693 7.653,694 8.467,695 9.334,696 10.156,697 11.021,698 8.3,706 1,707 1,708 1,715 2,720 1,721 2,722 5,726 1,741 36,743 6,745 16,747 36,748 11,749 3,752 1,756 1,757 1,763 3,764 1,772 4,773 7,777 1,784 1,785 1,790 1,793 20,794 3,795 1,796 5,799 1,802 3,803 1,808 1,809 2,828 1,857 1,858 1,859 1,864 4,868 16,875 1,876 2,878 1,882 1,893 5.6,897 1,898 1,901 9.75,902 7.517,903 3.597,904 1.93,907 1.198,908 1.222,909 0.84,910 4.5,911 6.601,912 3.02,913 3.534,914 3.919,915 4.417,916 4.469,917 4.482,918 4.533,919 4.488,920 4.328,921 3.596,922 0.8,923 18,924 5.849,926 2.23,927 0.026,929 7.776,931 11.186,933 8.365,936 2.276,937 36.417,938 0.003,941 223.651,942 73.098,943 17.046,945 53.806,948 73.098,949 277.456,950 17.046,951 34.872,952 8.756,953 9.047,954 47.817,955 67,956 35.313,957 164.795,959 223.651,960 90.144,961 53.806,964 223.651,965 42.806,966 11,968 61.753,969 17.444,970 10.947,972 223.651,973 70.851,974 73.098,977 223.651,978 11.084,979 65.812,981 67.053,982 223.651,983 70.851,984 73.098,986 0.576,987 0.287,988 0.148,989 0.073,990 9,991 5,992 0.139,993 5,995 1,996 2.737,997 94.818,999 5,1000 57.245,1005 13.196,1006 5.456,1007 4.27,1009 67.053,1010 3.775,1015 0.788,1016 3.742,1017 42.806,1018 367.6,1019 19.5,1026 1.389,1027 3.034,1031 35.971,1032 41.443,1034 0.295,1035 0.584,1036 0.753,1037 0.763,1038 0.774,1039 0.774,1040 4.252,1041 -0.409,1042 5.176,1043 0.219,1044 3.807,1045 4.212,1046 2.189,1047 5.994,1048 3.675,1049 5.48,1050 -0.867,1051 6.758,1052 -0.835,1053 3.761,1054 4.182,1056 7.286,1057 3.653,1058 6.804,1059 -1,1060 8.456,1061 -1.69,1062 5.501,1063 6.337,1064 2.993,1065 10.124,1066 5.282,1067 8.163,1068 -1,1069 10.216,1070 -3,1071 6.196,1072 7.096,1074 12.103,1075 6.004,1076 9.552,1077 -1.196,1078 12.013,1079 -3,1080 7.53,1081 8.8,1082 3.938,1083 14.572,1084 7.257,1085 10.96,1086 -1.605,1087 13.831,1088 -3.153,1089 8.494,1090 9.915,1092 16.763,1093 8.229,1094 12.383,1095 -1.706,1096 15.663,1097 -4.437,1098 9.692,1099 11.439,1100 4.951,1101 19.123,1102 9.373,1103 3.102,1104 -1.893,1105 17.504,1106 -5.201,1107 10.755,1108 12.716,1110 21.384,1111 10.428,1112 3.018,1113 10.012,1114 19.351,1115 -5.424,1116 11.904,1117 14.167,1118 5.992,1119 23.706,1120 11.541,1121 1.908,1122 9.942,1123 21.201,1124 4.086,1125 13.003,1126 15.516,1128 25.992,1129 12.625,1130 1.528,1131 5.418,1132 23.055,1133 3.098,1134 14.134,1135 16.939,1136 7.044,1137 28.301,1138 13.73,1139 1.122,1140 3.602,1141 24.911,1142 2.335,1143 15.247,1144 18.32,1146 30.596,1147 14.827,1148 0.858,1149 2.487,1150 26.768,1151 2.128,1152 16.372,1153 19.732,1154 8.099,1155 32.899,1156 15.932,1157 0.106,1158 1.562,1159 28.627,1160 1.257,1161 17.49,1162 21.127,1164 35.198,1165 17.035,1166 1919,1167 3112,1168 9.534,1169 21.398,1170 23.924,1171 26.092,1172 24.31,1173 23.202,1174 23.284,1175 28.343,1176 5.476,1177 66.483,1178 21.675,1179 5.287,1180 5.477,1181 6.23,1182 5.177,1183 5.069,1184 6.794,1185 3.394,1186 16.513,1187 4.871,1188 10.484,1189 1.495,1190 1.631,1191 1.519,1192 1.45,1193 1.455,1194 1.771,1195 0.342,1196 4.155,1197 1.355,1198 4.029,1199 4.092,1200 3.98,1201 3.809,1202 6.546,1203 3.844,1204 3.764,1205 3.821,1206 3.622,1207 3.636,1208 4.866,1209 3.624,1210 3.282,1211 3.358,1212 3.175,1213 2.986,1214 4.538,1215 3.006,1216 3.249,1217 3.315,1218 3.102,1219 2.953,1220 4.172,1221 2.985,1222 2.979,1223 3.07,1224 2.735,1225 2.725,1226 4.039,1227 2.71,1228 2.874,1229 3.009,1230 2.499,1231 2.618,1232 3.759,1233 2.57,1234 2.874,1235 3.009,1236 2.499,1237 2.618,1238 3.467,1239 2.57,1240 2.667,1241 2.787,1242 2.382,1243 2.424,1244 3.467,1245 2.393,1246 0.275,1247 0.227,1248 0.404,1249 0.256,1250 0.194,1251 4.399,1252 0.255,1253 3.631,1254 0.106,1255 6.471,1256 0.626,1257 4.092,1258 0.192,1259 3.102,1260 4.086,1261 1.697,1262 10.012,1263 3.074,1264 1.775,1265 1.723,1266 2.012,1267 1.963,1268 1.258,1269 1.973,1270 1.637,1271 1.57,1272 1.796,1273 1.885,1274 0.927,1275 1.867,1276 1.537,1277 1.47,1278 1.723,1279 1.77,1280 0.83,1281 1.766,1282 1.083,1283 1.013,1284 1.417,1285 1.445,1286 0.469,1287 1.41,1288 0.969,1289 0.881,1290 1.417,1291 1.272,1292 0.469,1293 1.308,1294 0.934,1295 0.804,1296 1.358,1297 1.239,1298 0.464,1299 1.308,1300 0.934,1301 0.804,1302 1.333,1303 1.239,1304 0.351,1305 1.291,1306 0.731,1307 0.618,1308 1.155,1309 1.052,1310 0.29,1311 1.09,1312 3.497,1314 4.796,1315 2.398,1316 6.252,1317 4.727,1318 7.78,1319 6.783,1320 9.349,1322 8.257,1327 8.544,1328 1.143,1330 5.591,1334 0.153,1340 19.972,1341 54.87,1342 108.608,1343 140.078,1344 142.078,1345 144.078,1346 144.078,1347 27.196,1348 5.403,1349 50.63,1350 50.63,1351 5,1352 11.577,1353 2.807,1354 2.17,1355 34.615,1356 43,1357 39,1358 0.404,1359 129.95,1360 219.58,1361 308.837,1362 1079,1364 12.182,1365 0.761,1366 0.65,1367 12.182,1368 10.396,1369 7.438,1370 0.465,1371 0.333,1372 5.204,1373 6.939,1374 4.877,1375 4.228,1376 7.438,1377 5.332,1378 7.22,1379 0.328,1380 0.233,1381 7.22,1382 5.135,1383 4.453,1384 0.194,1385 0.095,1386 4.453,1387 2.181,1388 3.476,1389 0.129,1390 0.052,1391 3.476,1392 1.412,1393 2.291,1394 0.092,1395 0.029,1396 2.291,1397 0.727,1398 0.622,1399 48.171,1400 0.324,1401 16.339,1402 1.126,1403 76,1404 227.508,1405 86.035,1406 215.114,1407 279.26,1408 198,1409 83,1410 196.86,1411 94.673,1412 202.006,1413 278.87,1414 181,1415 5.076}
{0 CHEMBL33161,1 1.405,2 10.72,3 4.199,4 17.629,5 98.704,6 6.867,7 0.429,8 3.98,9 4.101,10 3.492,11 3.54,12 4.982,13 3.502,14 4.56,15 4.736,16 3.898,17 3.98,18 5.551,19 3.917,20 4.854,21 5.064,22 3.93,23 4.159,24 5.716,25 4.058,26 4.959,27 5.2,28 3.824,29 4.151,30 5.819,31 4.006,32 4.962,33 5.245,34 3.709,35 3.977,36 5.843,37 3.838,38 4.678,39 4.922,40 3.512,41 3.757,42 5.615,43 3.644,44 4.453,45 4.688,46 3.44,47 3.643,48 5.414,49 3.536,50 4.416,51 4.647,52 3.3,53 3.542,54 5.469,55 3.438,56 0.036,57 0.688,58 11.012,59 4.784,60 7.424,61 6.468,62 0.325,63 1.171,64 20.928,65 8.18,66 31.843,67 11.468,68 0.233,69 1.503,70 28.698,71 10.945,72 27.202,73 15.332,74 0.192,75 1.589,76 32.29,77 12.639,78 35.804,79 17.862,80 0.33,81 1.464,82 34.139,83 11.941,84 51.778,85 16.94,86 0.396,87 1.087,88 25.732,89 8.873,90 43.443,91 11.99,92 0.157,93 0.935,94 19.674,95 7.401,96 25.355,97 10.285,98 0.373,99 0.893,100 19.668,101 6.29,102 44.866,103 8.645,104 11,105 41,106 0.239,107 0.564,108 0.752,109 0.856,110 0.866,111 0.866,112 3.267,113 0.966,114 -4.65,115 -4.56,116 -4.29,121 42.9,122 2,123 2,125 1,127 2,129 1,144 8,145 2,146 2,161 1,176 12,179 1,180 6,183 2,185 2,187 16,192 5,197 2,200 13,206 10,211 3,214 6,219 10,224 2,227 5,231 1,232 4,237 2,239 6,244 3,249 3,251 9,255 1,256 1,259 1,264 10,277 12,281 843,282 17.004,283 17.004,284 17.004,285 17.004,286 17.004,287 15.413,288 24.064,289 9.867,290 17.315,291 13.77,292 13.77,293 13.77,294 13.77,295 13.77,296 11.371,297 33.055,298 4.619,299 14.228,300 4.21,301 2.298,302 1.189,303 0.577,304 0.521,305 0.521,306 3.963,311 1,312 1,313 590,314 3.464,317 94.898,318 135.269,320 76.61,321 81.569,324 114.512,325 1.594,326 17.569,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 53,338 268,339 4.78,340 3.899,341 7.933,342 4.675,343 3.685,344 4.16,345 2.186,346 14.943,347 3.652,348 4.023,349 3.674,350 6.169,351 3.673,352 2.725,353 3.483,354 0.8,355 8.719,356 2.586,357 3.91,358 2.861,359 5.674,360 3.543,361 2.575,362 3.3,363 0.366,364 7.616,365 2.493,366 3.596,367 2.617,368 5.534,369 3.273,370 2.335,371 2.839,373 7.313,374 2.178,375 3.338,376 2.521,377 5.279,378 3.176,379 2.199,380 2.497,382 6.724,383 2.133,384 3.275,385 2.385,386 4.702,387 2.862,388 1.874,389 2.388,391 5.013,392 1.834,393 2.848,394 1.522,395 4.604,396 2.388,397 1.402,398 1.982,400 4.041,401 1.378,402 2.612,403 1.518,404 4.149,405 2.319,406 1.337,407 1.646,409 2.99,410 1.309,411 2.5,412 1.167,413 3.571,414 2.112,415 1.12,416 1.5,418 2.988,419 1.11,420 2.29,421 1,422 3.327,423 2,424 1,425 1.275,427 2.136,428 1,429 1.734,430 0.894,431 3.247,432 1.652,433 0.672,434 0.703,436 1.378,437 0.657,438 1.398,439 0.735,440 2.968,441 1.201,442 0.244,443 0.268,445 0.503,446 0.231,447 1.179,448 0.434,449 2.81,450 0.869,451 -0.076,452 -0.085,454 -0.179,455 -0.071,456 0.961,457 0.19,458 2.699,459 0.68,460 -0.319,461 -0.392,463 -0.725,464 -0.314,465 0.613,466 -0.338,467 2.42,468 0.319,469 -0.671,470 -0.771,472 -1.774,473 -0.658,474 11.967,475 0.479,476 0.66,477 0.026,478 30.5,479 1.22,480 14.5,481 0.58,482 16,483 0.64,484 22.542,485 0.902,486 27.033,487 0.552,488 20.437,489 0.817,490 5.658,491 0.226,492 6.44,493 0.258,494 0.111,495 0.042,496 0.284,501 0.773,502 1.278,503 0.846,504 1.102,505 0.603,506 0.997,507 0.588,508 1.038,509 0.853,510 0.953,511 0.385,512 0.93,513 1.041,514 1.085,515 1.072,516 1.058,517 0.704,518 1.06,519 0.788,520 1.218,521 1.058,522 1.242,523 0.645,524 1.19,525 1.194,526 0.888,527 0.858,528 0.884,529 1.2,530 0.84,531 1.826,532 0.809,533 1.076,534 0.835,535 1.532,536 0.875,537 1.125,538 1.113,539 0.927,540 1.044,541 1.313,542 0.981,543 1.95,544 0.771,545 1.279,546 0.823,547 2.722,548 0.948,549 6,550 0.101,551 3.333,552 2.583,553 1.437,554 0.726,555 0.516,556 0.247,557 0.268,558 0.171,559 7465,560 15725,561 2.12,562 49,563 3,564 13,567 1,569 7,572 1.678,573 1.987,574 3.361,575 -0.396,577 1,582 68.843,583 1.405,584 3.317,585 4.426,586 5.038,587 5.094,588 5.094,589 2.889,590 4.484,591 4.614,592 3.511,593 1053.45,594 7.967,595 12619.2,597 1,599 1,600 275.121,601 1.535,602 4.57,603 0.214,604 0.006,605 0.081,606 0.063,607 0.042,608 0.024,609 0.021,610 0.01,611 0.013,612 0.009,613 0.484,614 0.33,615 1,616 0.739,617 120.539,618 -0.002,619 -0.105,620 0.068,621 -0.025,622 -0.026,623 0.021,624 0.318,625 0.082,626 0.098,627 0.065,628 0.249,629 0.057,630 -0.11,631 -0.028,632 -0.11,633 -0.062,634 -0.02,635 -0.08,636 0.009,637 -0.238,638 -0.104,639 -0.247,640 0.097,641 -0.196,642 0.003,643 0.013,644 0.162,645 0.059,646 0.052,647 0.122,648 -0.138,649 0.103,650 -0.021,651 0.117,652 -0.135,653 0.066,654 -0.013,655 -0.153,656 0.062,657 -0.057,658 -0.04,659 -0.001,660 -0.21,661 0.246,662 -0.219,663 0.094,664 -0.366,665 -0.042,666 2.118,667 5.146,668 0.72,669 21.606,670 0.991,671 1.122,672 3.415,673 11.665,674 0.659,675 3.367,676 3.738,677 4.06,678 4.382,679 4.595,680 4.682,681 4.852,682 4.942,683 4.963,684 5.024,685 6.15,686 0.618,687 336.47,688 3.367,689 4.934,690 5.814,691 6.73,692 7.635,693 8.562,694 9.481,695 10.415,696 11.344,697 12.284,698 4.1,701 1,705 1,715 8,720 4,722 12,737 1,741 49,743 13,744 2,745 28,747 52,748 21,749 12,750 4,751 8,756 4,757 7,763 2,764 1,766 1,767 3,770 3,772 13,773 8,777 1,782 1,786 1,790 1,793 24,794 4,795 1,796 4,802 2,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 2,868 25,876 4,877 1,878 1,880 1,881 1,882 1,893 4.1,896 1,898 1,901 12.583,902 9.283,903 5.431,904 3.197,907 2.12,908 1.28,909 0.974,910 4.202,911 9.688,912 3.584,913 4.143,914 4.654,915 5.198,916 5.68,917 5.811,918 6.167,919 6.448,920 6.561,921 6.799,922 1,923 41,924 9.283,926 4.002,927 0.026,929 7.577,931 18.223,933 15.668,936 2.077,937 51.917,939 1,940 1,941 270.735,942 123.875,943 21.135,945 36.145,948 123.875,949 306.88,950 21.135,951 17.65,952 27.291,953 75.81,954 25.145,955 28.496,956 6.763,957 270.735,959 270.735,960 145.01,961 36.145,964 188.338,965 118.543,968 48.066,969 96.944,972 270.735,973 57.28,974 123.875,977 270.735,978 30.414,979 96.585,980 18.011,981 36.145,982 270.735,983 57.28,984 123.875,986 0.587,987 0.353,988 0.198,989 0.107,990 22,991 9,992 0.077,993 4,994 2,995 1.222,996 3.724,997 214.412,998 0.222,999 18,1000 112.096,1005 16.467,1006 6.379,1007 2.909,1009 57.28,1010 15.453,1015 4.082,1017 18.011,1018 451.89,1019 35,1024 12.146,1028 -0.451,1031 48.578,1032 54.983,1034 0.25,1035 0.591,1036 0.788,1037 0.897,1038 0.907,1039 0.907,1040 4.86,1041 1.337,1042 5.844,1043 4.041,1044 4.419,1045 4.828,1046 2.351,1047 6.76,1048 4.36,1049 6.065,1050 1.12,1051 7.471,1052 2.99,1053 4.205,1054 4.635,1055 1.847,1056 8.118,1057 4.13,1058 7.392,1059 1,1060 9.222,1061 2.988,1062 6.146,1063 6.928,1064 3.504,1065 11.268,1066 6.043,1067 8.756,1068 0.672,1069 11.056,1070 2.136,1071 6.804,1072 7.51,1073 3.598,1074 13.553,1075 6.703,1076 10.158,1077 0.244,1078 12.949,1079 1.378,1080 8.273,1081 9.331,1082 4.907,1083 16.357,1084 8.156,1085 11.588,1086 -0.076,1087 14.886,1088 0.503,1089 9.315,1090 10.285,1091 5.29,1092 18.943,1093 9.206,1094 13.042,1095 -0.319,1096 16.857,1097 -0.179,1098 10.645,1099 11.905,1100 6.387,1101 21.672,1102 10.528,1103 3.685,1104 -0.671,1105 18.854,1106 -0.725,1107 11.845,1108 13.06,1109 6.93,1110 24.343,1111 11.732,1112 2.725,1113 14.943,1114 20.87,1115 -1.774,1116 13.143,1117 14.58,1118 7.902,1119 27.054,1120 13.024,1121 2.575,1122 8.719,1123 22.9,1124 4.16,1125 14.405,1126 15.849,1127 8.539,1128 29.748,1129 14.285,1130 2.335,1131 7.616,1132 24.941,1133 3.483,1134 15.7,1135 17.319,1136 9.436,1137 32.454,1138 15.575,1139 2.199,1140 7.313,1141 26.989,1142 3.3,1143 16.986,1144 18.653,1145 10.13,1146 35.156,1147 16.856,1148 1.874,1149 6.724,1150 29.044,1151 2.839,1152 18.284,1153 20.097,1154 10.981,1155 37.861,1156 18.148,1157 1.402,1158 5.013,1159 31.103,1160 2.497,1161 19.58,1162 21.469,1163 11.71,1164 40.564,1165 19.437,1166 7055,1167 10397,1168 18.781,1169 32.296,1170 42.61,1171 43.505,1172 44.03,1173 42.353,1174 42.335,1175 52.081,1176 6.705,1177 128.727,1178 41.123,1179 5.743,1180 5.899,1181 7.735,1182 5.759,1183 5.685,1184 7.16,1185 3.889,1186 23.402,1187 5.652,1188 10.792,1189 1.522,1190 1.554,1191 1.572,1192 1.513,1193 1.512,1194 1.86,1195 0.239,1196 4.597,1197 1.469,1198 4.1,1199 4.132,1200 4.039,1201 4.028,1202 7.435,1203 4.027,1204 3.899,1205 3.934,1206 3.832,1207 3.822,1208 4.833,1209 3.819,1210 3.714,1211 3.758,1212 3.627,1213 3.577,1214 4.753,1215 3.58,1216 3.434,1217 3.498,1218 3.345,1219 3.244,1220 4.413,1221 3.231,1222 3.353,1223 3.393,1224 3.185,1225 3.107,1226 4.142,1227 3.14,1228 3.14,1229 3.211,1230 2.981,1231 2.971,1232 3.965,1233 2.975,1234 3.076,1235 3.183,1236 2.819,1237 2.881,1238 3.837,1239 2.852,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.171,1247 0.139,1248 0.283,1249 0.167,1250 0.132,1251 4.78,1252 0.149,1253 3.899,1254 0.078,1255 7.933,1256 0.534,1257 4.675,1258 0.13,1259 3.685,1260 4.16,1261 2.186,1262 14.943,1263 3.652,1264 1.914,1265 1.895,1266 2.018,1267 2.01,1268 1.312,1269 2.011,1270 1.882,1271 1.851,1272 2.004,1273 1.969,1274 1.218,1275 1.982,1276 1.677,1277 1.623,1278 1.892,1279 1.863,1280 1.072,1281 1.876,1282 1.591,1283 1.519,1284 1.842,1285 1.765,1286 1.059,1287 1.795,1288 1.29,1289 1.235,1290 1.606,1291 1.554,1292 0.828,1293 1.55,1294 1.194,1295 1.141,1296 1.456,1297 1.474,1298 0.597,1299 1.468,1300 1.063,1301 0.982,1302 1.312,1303 1.301,1304 0.306,1305 1.345,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.27,1311 1.107,1312 4.043,1314 5.398,1315 3.045,1316 6.954,1317 5.587,1318 8.605,1319 7.832,1320 10.315,1322 4.587,1328 4.502,1329 2.761,1330 5.527,1332 0.57,1333 2.572,1334 0.167,1340 30.267,1341 68.843,1342 162.517,1343 216.856,1344 246.856,1345 249.611,1346 249.611,1347 35.792,1348 7.568,1349 41.57,1350 41.57,1351 22,1352 12.782,1353 3.807,1354 3,1355 36.09,1356 93,1357 93,1358 0.194,1359 183.725,1360 321.72,1361 440.05,1362 19658,1364 17.441,1365 0.698,1366 0.592,1367 17.441,1368 14.788,1369 12.098,1370 0.432,1371 0.322,1372 8.925,1373 11.735,1374 8.656,1375 7.163,1376 12.098,1377 9.013,1378 11.181,1379 0.273,1380 0.176,1381 11.181,1382 7.215,1383 9.696,1384 0.17,1385 0.102,1386 9.696,1387 5.841,1388 8.44,1389 0.107,1390 0.056,1391 8.44,1392 4.457,1393 6.758,1394 0.069,1395 0.032,1396 6.758,1397 3.126,1398 0.304,1399 74.962,1400 0.231,1401 24.267,1402 0.531,1403 138,1404 337.449,1405 149.222,1406 327.469,1407 457.54,1408 308,1409 167,1410 347.627,1411 177.145,1412 351.579,1413 518.93,1414 332,1415 6.754}
{0 CHEMBL33173,1 1.37,2 11.556,3 4.583,4 21.005,5 107.957,6 6.628,7 0.4,8 4.083,9 4.208,10 3.561,11 3.638,12 5.058,13 3.59,14 4.673,15 4.86,16 3.967,17 4.079,18 5.626,19 4.007,20 4.972,21 5.189,22 4.02,23 4.275,24 5.806,25 4.166,26 5.1,27 5.34,28 3.937,29 4.288,30 5.956,31 4.138,32 5.124,33 5.41,34 3.815,35 4.132,36 5.989,37 3.979,38 4.851,39 5.105,40 3.64,41 3.903,42 5.779,43 3.779,44 4.626,45 4.866,46 3.571,47 3.767,48 5.604,49 3.66,50 4.56,51 4.792,52 3.427,53 3.694,54 5.587,55 3.584,56 0.048,57 0.767,58 12.792,59 5.482,60 8.872,61 7.543,62 0.356,63 1.308,64 24.131,65 9.306,66 34.225,67 13.259,68 0.261,69 1.688,70 32.785,71 12.487,72 30.051,73 17.763,74 0.251,75 1.819,76 37.452,77 14.479,78 41.369,79 20.588,80 0.392,81 1.708,82 39.687,83 13.799,84 59.934,85 19.794,86 0.426,87 1.277,88 30.439,89 10.455,90 50.005,91 14.423,92 0.216,93 1.076,94 23.739,95 8.609,96 33.785,97 11.99,98 0.407,99 1.019,100 22.764,101 7.395,102 48.632,103 10.294,104 18,105 44,106 0.227,107 0.537,108 0.736,109 0.852,110 0.869,111 0.869,112 3.34,113 0.992,114 -4.81,115 -4.72,116 -4.43,121 41.8,122 3,123 2,125 1,127 2,129 2,144 8,145 3,146 1,161 1,176 14,179 1,180 6,183 2,185 2,187 19,192 5,197 2,200 16,206 10,211 4,214 8,219 10,224 3,227 6,231 1,232 6,237 2,239 6,244 5,249 3,251 9,255 1,256 1,259 1,264 12,277 16,281 1072,282 18.212,283 18.212,284 18.212,285 18.212,286 18.212,287 16.645,288 25.251,289 10.506,290 18.527,291 14.731,292 14.731,293 14.731,294 14.731,295 14.731,296 12.34,297 34.506,298 4.892,299 15.188,300 4.412,301 2.549,302 1.346,303 0.65,304 0.55,305 0.55,306 4.033,311 1,312 1,313 683,314 3.873,317 108.495,318 153.93,320 87.53,321 92.967,324 130.475,325 1.679,326 18.578,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 57,338 312,339 4.78,340 3.899,341 7.933,342 4.675,343 3.685,344 4.16,345 2.187,346 14.943,347 3.652,348 4.078,349 3.684,350 6.169,351 3.803,352 2.829,353 3.545,354 0.8,355 8.737,356 2.76,357 3.971,358 3.029,359 6.043,360 3.632,361 2.67,362 3.312,363 0.599,364 8.631,365 2.566,366 3.654,367 2.853,368 5.669,369 3.328,370 2.391,371 2.879,372 0.232,373 7.452,374 2.225,375 3.355,376 2.589,377 5.4,378 3.202,379 2.229,380 2.549,382 6.985,383 2.153,384 3.305,385 2.392,386 4.835,387 2.95,388 1.972,389 2.388,391 5.494,392 1.915,393 3.048,394 1.857,395 4.666,396 2.65,397 1.656,398 2.217,400 4.088,401 1.638,402 2.612,403 1.52,404 4.153,405 2.328,406 1.35,407 1.646,409 3.727,410 1.317,411 2.5,412 1.189,413 4.105,414 2.113,415 1.121,416 1.5,418 2.988,419 1.111,420 2.34,421 1.167,422 3.429,423 2,424 1.007,425 1.3,427 2.41,428 1,429 2.285,430 1,431 3.325,432 1.992,433 1,434 1.255,436 2.136,437 0.988,438 1.733,439 0.885,440 3.247,441 1.651,442 0.671,443 0.702,445 1.37,446 0.656,447 1.392,448 0.724,449 2.918,450 1.192,451 0.228,452 0.251,454 0.455,455 0.218,456 0.961,457 0.355,458 2.788,459 0.764,460 -0.175,461 -0.188,463 -0.411,464 -0.163,465 0.833,466 0.087,467 2.684,468 0.506,469 -0.494,470 -0.557,472 -1.191,473 -0.483,474 12.967,475 0.48,476 0.75,477 0.028,478 31,479 1.148,480 14,481 0.519,482 17,483 0.63,484 26.812,485 0.993,486 29.633,487 0.539,488 21.6,489 0.8,490 5.683,491 0.21,492 7.325,493 0.271,494 0.141,495 0.039,496 0.301,501 0.777,502 1.296,503 0.889,504 1.135,505 0.634,506 1.037,507 0.618,508 1.029,509 0.872,510 0.949,511 0.402,512 0.931,513 1.046,514 1.081,515 1.072,516 1.054,517 0.725,518 1.056,519 0.917,520 1.245,521 1.107,522 1.249,523 0.818,524 1.206,525 1.293,526 0.922,527 0.913,528 0.905,529 1.304,530 0.875,531 1.845,532 0.853,533 1.057,534 0.876,535 1.569,536 0.891,537 1.436,538 1.085,539 0.947,540 1.017,541 1.626,542 0.951,543 2.095,544 0.776,545 1.279,546 0.823,547 2.835,548 0.944,549 6.5,550 0.159,551 4,552 2.833,553 1.557,554 0.872,555 0.58,556 0.346,557 0.256,558 0.227,559 9279,560 18591,561 2.088,562 50.9,563 3,564 14,567 1,569 10,572 1.698,573 1.94,574 3.466,575 -0.419,582 75.327,583 1.37,584 3.232,585 4.435,586 5.131,587 5.231,588 5.231,589 2.911,590 4.385,591 4.727,592 3.622,593 1271.3,594 8.188,595 16327.1,597 1,600 317.975,601 1.596,602 4.673,603 0.217,604 0.008,605 0.091,606 0.063,607 0.041,608 0.026,609 0.021,610 0.013,611 0.011,612 0.01,613 0.5,614 0.33,615 1,616 0.76,617 134.357,618 0.007,619 -0.097,620 0.067,621 -0.022,622 -0.037,623 0.021,624 0.314,625 0.106,626 0.108,627 0.085,628 0.243,629 0.077,630 -0.103,631 -0.008,632 -0.094,633 -0.044,634 -0.037,635 -0.062,636 -0.021,637 -0.247,638 -0.138,639 -0.248,640 0.037,641 -0.212,642 -0.022,643 -0.009,644 0.101,645 0.029,646 0.017,647 0.073,648 -0.099,649 0.064,650 -0.002,651 0.068,652 -0.084,653 0.045,654 -0.029,655 -0.131,656 0.074,657 -0.04,658 -0.019,659 0.016,660 -0.224,661 0.24,662 -0.206,663 0.105,664 -0.356,665 -0.029,666 2.076,667 5.361,668 0.667,669 24.412,670 0.988,671 1.124,672 3.581,673 12.823,674 0.651,675 3.434,676 3.807,677 4.127,678 4.431,679 4.635,680 4.718,681 4.883,682 4.956,683 4.99,684 5.037,685 6.629,686 0.606,687 364.53,688 3.434,689 5.004,690 5.883,691 6.797,692 7.7,693 8.624,694 9.541,695 10.471,696 11.397,697 12.332,698 3.6,701 1,705 1,715 8,720 4,722 12,737 1,741 55,743 13,744 2,745 30,747 58,748 23,749 12,750 4,751 8,756 4,757 7,763 3,764 1,766 1,767 3,770 4,772 13,773 10,777 1,782 1,786 1,790 1,793 28,794 4,795 1,796 4,802 2,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 3,868 27,876 4,877 1,878 1,880 2,881 1,882 1,893 3.6,896 1,898 1,901 13.917,902 10.617,903 5.875,904 3.635,907 2.063,908 1.269,909 0.958,910 4.896,911 9.731,912 3.638,913 4.19,914 4.7,915 5.223,916 5.699,917 5.827,918 6.175,919 6.406,920 6.537,921 6.675,922 0.875,923 45,924 10.046,926 4.312,927 0.026,929 7.546,931 19.796,933 17.009,936 2.046,937 55.25,939 1,940 1,941 317.82,942 133.129,943 21.135,945 36.145,948 133.129,949 353.965,950 21.135,951 26.476,952 27.291,953 75.81,954 25.145,955 28.924,956 6.763,957 317.82,959 317.82,960 154.264,961 36.145,964 200.109,965 153.856,968 56.891,969 97.373,972 317.82,973 57.28,974 133.129,977 317.82,978 30.843,979 105.41,980 18.011,981 36.145,982 317.82,983 57.28,984 133.129,986 0.59,987 0.357,988 0.197,989 0.104,990 23,991 10,992 0.086,993 5,994 2,995 1.222,996 3.873,997 236.297,998 0.222,999 18,1000 124.382,1005 18.367,1006 7.197,1007 3.337,1009 57.28,1010 16.052,1015 4.434,1017 18.011,1018 508.228,1019 37,1024 12.361,1028 -0.41,1031 54.345,1032 61.813,1034 0.237,1035 0.559,1036 0.767,1037 0.887,1038 0.905,1039 0.905,1040 4.92,1041 1.35,1042 5.916,1043 4.088,1044 4.489,1045 4.875,1046 2.401,1047 6.832,1048 4.434,1049 6.124,1050 1.121,1051 7.547,1052 3.727,1053 4.29,1054 4.691,1055 1.847,1056 8.176,1057 4.222,1058 7.449,1059 1.007,1060 9.299,1061 2.988,1062 6.217,1063 6.965,1064 3.514,1065 11.32,1066 6.121,1067 8.812,1068 1,1069 11.13,1070 2.41,1071 6.878,1072 7.559,1073 3.598,1074 13.584,1075 6.784,1076 10.213,1077 0.671,1078 13.018,1079 2.136,1080 8.337,1081 9.366,1082 4.911,1083 16.381,1084 8.226,1085 11.642,1086 0.228,1087 14.948,1088 1.37,1089 9.374,1090 10.328,1091 5.292,1092 18.957,1093 9.269,1094 13.093,1095 -0.175,1096 16.912,1097 0.455,1098 10.694,1099 11.938,1100 6.39,1101 21.681,1102 10.581,1103 3.685,1104 -0.494,1105 18.9,1106 -0.411,1107 11.888,1108 13.097,1109 6.934,1110 24.348,1111 11.776,1112 2.829,1113 14.943,1114 20.908,1115 -1.191,1116 13.178,1117 14.611,1118 7.906,1119 27.057,1120 13.061,1121 2.67,1122 8.737,1123 22.932,1124 4.16,1125 14.434,1126 15.88,1127 8.544,1128 29.75,1129 14.314,1130 2.391,1131 8.631,1132 24.966,1133 3.545,1134 15.723,1135 17.346,1136 9.44,1137 32.456,1138 15.598,1139 2.229,1140 7.452,1141 27.01,1142 3.312,1143 17.005,1144 18.679,1145 10.136,1146 35.157,1147 16.875,1148 1.972,1149 6.985,1150 29.06,1151 2.879,1152 18.299,1153 20.12,1154 10.987,1155 37.861,1156 18.162,1157 1.656,1158 5.494,1159 31.116,1160 2.549,1161 19.592,1162 21.491,1163 11.717,1164 40.564,1165 19.448,1166 8795,1167 12590,1168 19.879,1169 35.819,1170 46.038,1171 46.666,1172 47.549,1173 45.64,1174 45.62,1175 55.406,1176 7.636,1177 138.833,1178 44.399,1179 5.743,1180 5.899,1181 7.735,1182 5.761,1183 5.685,1184 7.16,1185 3.89,1186 23.402,1187 5.652,1188 13.183,1189 1.535,1190 1.556,1191 1.585,1192 1.521,1193 1.521,1194 1.847,1195 0.255,1196 4.628,1197 1.48,1198 4.101,1199 4.133,1200 4.039,1201 4.029,1202 7.435,1203 4.027,1204 3.928,1205 3.963,1206 3.855,1207 3.863,1208 4.826,1209 3.856,1210 3.719,1211 3.762,1212 3.636,1213 3.578,1214 4.75,1215 3.582,1216 3.531,1217 3.587,1218 3.437,1219 3.324,1220 4.417,1221 3.335,1222 3.401,1223 3.483,1224 3.206,1225 3.238,1226 4.201,1227 3.218,1228 3.24,1229 3.287,1230 3.097,1231 3.062,1232 4.055,1233 3.06,1234 3.088,1235 3.184,1236 2.932,1237 2.881,1238 3.942,1239 2.872,1240 3.076,1241 3.146,1242 2.819,1243 2.833,1244 3.674,1245 2.852,1246 0.159,1247 0.13,1248 0.264,1249 0.156,1250 0.123,1251 4.78,1252 0.139,1253 3.899,1254 0.073,1255 7.933,1256 0.498,1257 4.675,1258 0.122,1259 3.685,1260 4.16,1261 2.187,1262 14.943,1263 3.652,1264 1.925,1265 1.9,1266 2.053,1267 2.024,1268 1.312,1269 2.033,1270 1.907,1271 1.885,1272 2.012,1273 1.983,1274 1.219,1275 1.994,1276 1.677,1277 1.623,1278 1.892,1279 1.863,1280 1.193,1281 1.876,1282 1.591,1283 1.52,1284 1.843,1285 1.769,1286 1.071,1287 1.796,1288 1.475,1289 1.413,1290 1.732,1291 1.702,1292 0.834,1293 1.708,1294 1.28,1295 1.205,1296 1.606,1297 1.501,1298 0.827,1299 1.542,1300 1.125,1301 1.07,1302 1.454,1303 1.409,1304 0.597,1305 1.406,1306 0.988,1307 0.925,1308 1.244,1309 1.281,1310 0.302,1311 1.307,1312 4.111,1314 5.468,1315 3.045,1316 7.024,1317 5.587,1318 8.673,1319 7.832,1320 10.38,1322 6.56,1328 4.505,1329 2.915,1330 5.615,1332 0.475,1333 2.578,1334 0.165,1340 33.321,1341 75.327,1342 177.754,1343 243.936,1344 282.2,1345 287.71,1346 287.71,1347 42.793,1348 7.668,1349 41.57,1350 41.57,1351 22,1352 12.833,1353 3.807,1354 3,1355 40.428,1356 108,1357 106,1358 0.184,1359 202.91,1360 356.32,1361 486.86,1362 22672,1364 19.018,1365 0.704,1366 0.606,1367 19.018,1368 16.366,1369 13.008,1370 0.434,1371 0.331,1372 9.828,1373 12.643,1374 9.489,1375 7.872,1376 13.008,1377 9.918,1378 12.053,1379 0.274,1380 0.182,1381 12.053,1382 8.001,1383 10.464,1384 0.172,1385 0.106,1386 10.464,1387 6.455,1388 8.978,1389 0.108,1390 0.058,1391 8.978,1392 4.824,1393 7.035,1394 0.069,1395 0.033,1396 7.035,1397 3.321,1398 0.291,1399 80.426,1400 0.224,1401 26.007,1402 0.496,1403 148,1404 347.449,1405 159.222,1406 337.851,1407 472.5,1408 318,1409 179,1410 358.346,1411 189.145,1412 363.06,1413 536.14,1414 343,1415 5.876}
{0 CHEMBL332051,1 1.357,2 11.138,3 5.342,4 28.538,5 115.091,6 6.885,7 0.375,8 4.09,9 4.213,10 3.6,11 3.701,12 5.117,13 3.647,14 4.669,15 4.853,16 3.97,17 4.125,18 5.583,19 4.042,20 4.979,21 5.215,22 4.058,23 4.257,24 5.93,25 4.152,26 5.001,27 5.244,28 4.004,29 4.218,30 6.01,31 4.119,32 4.916,33 5.136,34 3.953,35 4.2,36 5.96,37 4.095,38 4.963,39 5.203,40 3.854,41 4.206,42 5.908,43 4.066,44 4.958,45 5.224,46 3.697,47 4.146,48 5.781,49 3.972,50 4.9,51 5.182,52 3.544,53 4.048,54 5.652,55 3.852,56 0.04,57 0.774,58 12.032,59 5.439,60 9.965,61 7.47,62 0.186,63 1.336,64 22.784,65 9.512,66 17.044,67 13.382,68 0.27,69 1.73,70 32.648,71 12.366,72 37.629,73 17.747,74 0.361,75 1.75,76 34.275,77 11.694,78 56.665,79 16.68,80 0.295,81 1.615,82 30.797,83 11.274,84 55.979,85 15.811,86 0.269,87 1.654,88 32.403,89 12.42,90 53.31,91 17.555,92 0.233,93 1.585,94 32.563,95 13.109,96 45.448,97 18.574,98 0.198,99 1.48,100 30.88,101 12.558,102 37.082,103 17.976,104 16,105 45,106 0.222,107 0.523,108 0.692,109 0.818,110 0.832,111 0.832,112 3.408,113 0.999,114 -5.48,115 -5.36,116 -5,121 44.6,122 1,123 7,127 1,132 1,144 8,145 4,160 3,176 19,179 2,180 6,187 21,191 1,192 12,200 15,206 14,214 13,219 11,227 17,232 8,239 19,244 6,251 19,256 4,264 14,268 1,269 5,277 10,281 1319,282 20.076,283 20.076,284 20.076,285 20.076,286 20.076,287 18.298,288 16.462,289 11.918,290 20.214,291 15.672,292 15.672,293 15.672,294 15.672,295 15.672,296 12.813,297 19.056,298 5.453,299 15.914,300 4.451,301 2.611,302 1.581,303 0.813,304 0.728,305 0.728,306 4.104,311 1,312 1,313 698,314 3.391,317 168.762,318 198.529,325 1.66,326 23.887,329 0.75,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.86,337 60.5,338 323,339 4.716,340 4.199,341 7.718,342 4.567,343 3.593,344 4.079,345 2.035,346 14.285,347 3.497,348 4.408,349 4.07,350 6.498,351 4.018,352 3.019,353 3.935,354 2.021,355 10.162,356 3.016,357 3.948,358 3.071,359 6.216,360 3.647,361 2.686,362 3.468,363 1.358,364 9.135,365 2.589,366 3.704,367 2.967,368 5.391,369 3.383,370 2.401,371 2.828,372 0.69,373 6.992,374 2.346,375 3.501,376 2.844,377 5.16,378 3.02,379 2.028,380 2.68,381 0.239,382 6.022,383 2.012,384 3.227,385 2.608,386 5.082,387 2.804,388 1.806,389 2.237,391 5.329,392 1.794,393 3.144,394 2.106,395 4.067,396 2.491,397 1.496,398 2.214,400 3.362,401 1.488,402 2.7,403 1.624,404 3.977,405 2.384,406 1.389,407 1.683,409 3.038,410 1.379,411 2.608,412 1.497,413 3.646,414 2.317,415 1.336,416 1.5,418 2.796,419 1.305,420 2.5,421 1.469,422 3.618,423 2.139,424 1.139,425 1.451,427 2.633,428 1.138,429 2.475,430 1.268,431 3.595,432 2,433 1,434 1.383,436 2.275,437 1,438 2.392,439 1.12,440 3.414,441 1.618,442 0.618,443 0.943,445 1.464,446 0.618,447 1.875,448 1,449 3.2,450 1.567,451 0.559,452 0.631,454 1.31,455 0.557,456 1.618,457 0.618,458 2.942,459 1.43,460 0.467,461 0.618,463 0.743,464 0.448,465 1.348,466 0.48,467 2.809,468 1.159,469 0.179,470 0.199,472 0.311,473 0.175,474 14.033,475 0.484,476 0.593,477 0.02,478 35.75,479 1.233,480 18,481 0.621,482 17.75,483 0.612,484 27.333,485 0.943,486 30.367,487 0.542,488 25.474,489 0.878,490 6.279,491 0.217,492 7.886,493 0.272,494 0.088,495 0.036,496 0.242,501 0.62,502 1.206,503 0.845,504 1.064,505 0.467,506 0.989,507 0.583,508 1.106,509 0.89,510 1.04,511 0.471,512 0.999,513 0.936,514 1.072,515 0.907,516 0.99,517 0.714,518 0.948,519 1.794,520 0.935,521 1.069,522 0.856,523 1.448,524 0.888,525 1.665,526 1.021,527 1.148,528 0.989,529 1.445,530 1.019,531 1.284,532 1.007,533 1.137,534 1.054,535 1.197,536 1.078,537 0.945,538 0.98,539 1.035,540 1.05,541 0.949,542 1.057,543 0.711,544 1.009,545 0.981,546 1.06,547 0.652,548 1.054,549 5.5,550 0.193,551 3.778,552 2.611,553 1.574,554 1.025,555 0.63,556 0.268,557 0.274,558 0.261,559 10858,560 23798,561 2.103,562 48.2,563 11,564 10,568 2,569 4,572 1.72,573 1.989,574 3.418,575 -0.853,582 75.979,583 1.357,584 3.196,585 4.226,586 4.995,587 5.08,588 5.08,589 2.867,590 4.418,591 4.829,592 3.627,593 1472.39,594 8.414,595 20066.4,600 325.212,601 1.428,602 4.792,603 0.172,604 0.007,605 0.084,606 0.056,607 0.036,608 0.024,609 0.017,610 0.009,611 0.011,612 0.011,613 0.426,614 0.33,615 0.88,616 1.107,617 147.4,618 0.025,619 -0.088,620 0.057,621 -0.009,622 0.052,623 0.02,624 0.189,625 -0.036,626 0.048,627 -0.025,628 0.035,629 -0.007,630 0.104,631 -0.052,632 0.076,633 -0.015,634 0.077,635 0.024,636 -0.209,637 0.103,638 -0.04,639 0.081,640 -0.113,641 0.045,642 -0.221,643 0.014,644 -0.144,645 -0.024,646 -0.08,647 -0.068,648 -0.151,649 -0.015,650 -0.15,651 -0.074,652 -0.068,653 -0.104,654 -0.051,655 -0.055,656 -0.059,657 -0.051,658 -0.047,659 -0.056,660 0.014,661 -0.108,662 -0.01,663 -0.058,664 -0.014,665 -0.043,666 1.727,667 6.255,668 0.724,669 28.844,670 0.986,671 1.119,672 4.253,673 18.084,674 0.672,675 3.497,676 3.829,677 4.159,678 4.443,679 4.635,680 4.691,681 4.804,682 4.89,683 4.934,684 5.024,685 6.789,686 0.627,687 385.55,688 3.497,689 5.043,690 5.916,691 6.815,692 7.711,693 8.62,694 9.525,695 10.439,696 11.349,697 12.265,698 5.4,705 1,707 2,715 8,720 4,722 12,724 1,741 56,743 15,744 2,745 32,747 59,748 25,749 12,750 4,751 8,756 4,757 4,763 1,767 4,768 1,770 7,771 1,772 14,773 10,774 1,777 2,782 1,785 1,786 2,793 27,794 4,796 4,802 3,804 1,808 0.75,809 1,828 2,829 2,844 1,859 3,864 1,868 29,876 8,881 1,882 1,885 1,889 1,891 1,893 1.8,896 1,901 14.583,902 10.433,903 6.569,904 3.947,907 2.857,908 1.375,909 0.971,910 5.609,911 10.473,912 3.761,913 4.277,914 4.86,915 5.388,916 5.873,917 6.056,918 6.421,919 6.76,920 7.094,921 7.364,922 1,923 47,924 10.799,926 4.645,927 0.026,929 7.629,931 21.141,933 17.993,936 2.129,937 61.75,941 317.82,942 140.859,943 50.969,945 25.145,948 140.859,949 342.965,950 50.969,951 8.825,952 22.972,953 75.81,954 48.779,955 60.587,957 317.82,959 317.82,960 191.828,961 25.145,964 270.735,965 72.229,968 79.642,969 112.187,972 317.82,973 76.114,974 140.859,977 317.82,978 39.622,979 87.759,980 16.602,981 72.99,982 317.82,983 76.114,984 140.859,986 0.571,987 0.353,988 0.2,989 0.108,990 22,991 9,992 0.102,993 6,995 1.048,996 4.035,997 258.852,999 22,1000 132.881,1005 19.558,1006 8.316,1007 3.759,1009 76.114,1010 15.846,1015 3.725,1018 534.793,1019 42,1024 13.255,1027 4.96,1028 1.164,1031 55.236,1032 62.687,1034 0.234,1035 0.55,1036 0.728,1037 0.86,1038 0.875,1039 0.875,1040 5.024,1041 1.389,1042 5.922,1043 3.362,1044 4.511,1045 4.963,1046 3.009,1047 6.817,1048 4.478,1049 6.228,1050 1.336,1051 7.535,1052 3.038,1053 4.205,1054 4.691,1055 1.912,1056 8.146,1057 4.142,1058 7.548,1059 1.139,1060 9.272,1061 2.796,1062 6.213,1063 7.085,1064 4.133,1065 11.255,1066 6.136,1067 8.911,1068 1,1069 11.088,1070 2.633,1071 6.825,1072 7.674,1073 3.412,1074 13.474,1075 6.717,1076 10.312,1077 0.618,1078 12.96,1079 2.275,1080 8.301,1081 9.517,1082 5.439,1083 16.209,1084 8.175,1085 11.74,1086 0.559,1087 14.869,1088 1.464,1089 9.3,1090 10.493,1091 4.859,1092 18.721,1093 9.144,1094 13.19,1095 0.467,1096 16.808,1097 1.31,1098 10.608,1099 12.106,1100 6.808,1101 21.382,1102 10.43,1103 3.593,1104 0.179,1105 18.767,1106 0.743,1107 11.764,1108 13.274,1109 6.291,1110 23.989,1111 11.556,1112 3.019,1113 14.285,1114 20.743,1115 0.311,1116 13.028,1117 14.778,1118 8.202,1119 26.641,1120 12.795,1121 2.686,1122 10.162,1123 22.731,1124 4.079,1125 14.246,1126 16.046,1127 7.714,1128 29.28,1129 13.984,1130 2.401,1131 9.135,1132 24.73,1133 3.935,1134 15.504,1135 17.495,1136 9.608,1137 31.933,1138 15.214,1139 2.028,1140 6.992,1141 26.737,1142 3.468,1143 16.75,1144 18.818,1145 9.132,1146 34.584,1147 16.43,1148 1.806,1149 6.022,1150 28.75,1151 2.828,1152 18.01,1153 20.238,1154 11.019,1155 37.239,1156 17.662,1157 1.496,1158 5.329,1159 30.769,1160 2.68,1161 19.269,1162 21.591,1163 10.545,1164 39.895,1165 18.892,1166 10377,1167 15511,1168 21.553,1169 37.608,1170 48.953,1171 50.925,1172 50.301,1173 47.462,1174 47.43,1175 59.694,1176 12.684,1177 139.714,1178 46.722,1179 5.697,1180 6.199,1181 7.578,1182 5.621,1183 5.593,1184 7.079,1185 4.069,1186 22.256,1187 5.497,1188 12.381,1189 1.53,1190 1.591,1191 1.572,1192 1.483,1193 1.482,1194 1.865,1195 0.396,1196 4.366,1197 1.46,1198 4.056,1199 4.092,1200 4.002,1201 3.988,1202 7.427,1203 3.986,1204 3.962,1205 3.995,1206 3.907,1207 3.85,1208 6.82,1209 3.858,1210 3.776,1211 3.811,1212 3.702,1213 3.714,1214 4.812,1215 3.707,1216 3.676,1217 3.744,1218 3.512,1219 3.551,1220 4.651,1221 3.532,1222 3.475,1223 3.542,1224 3.333,1225 3.288,1226 4.564,1227 3.293,1228 3.184,1229 3.238,1230 3.143,1231 3.038,1232 4.144,1233 3.054,1234 3.137,1235 3.218,1236 2.976,1237 2.989,1238 4.037,1239 2.979,1240 3.039,1241 3.092,1242 2.904,1243 2.869,1244 3.788,1245 2.865,1246 0.147,1247 0.131,1248 0.241,1249 0.143,1250 0.112,1251 4.716,1252 0.127,1253 4.199,1254 0.064,1255 7.718,1256 0.446,1257 4.567,1258 0.109,1259 3.593,1260 4.079,1261 2.035,1262 14.285,1263 3.497,1264 2.004,1265 1.984,1266 2.094,1267 2.065,1268 1.282,1269 2.076,1270 1.799,1271 1.768,1272 1.981,1273 1.918,1274 1.231,1275 1.937,1276 1.724,1277 1.664,1278 1.916,1279 1.87,1280 1.211,1281 1.889,1282 1.617,1283 1.578,1284 1.86,1285 1.776,1286 1.169,1287 1.793,1288 1.577,1289 1.507,1290 1.792,1291 1.751,1292 1.031,1293 1.782,1294 1.393,1295 1.324,1296 1.629,1297 1.618,1298 0.808,1299 1.621,1300 1.148,1301 1.087,1302 1.448,1303 1.357,1304 0.652,1305 1.397,1306 1.113,1307 1.056,1308 1.228,1309 1.295,1310 0.272,1311 1.273,1312 4.174,1314 5.501,1315 3.045,1316 7.038,1317 5.476,1318 8.671,1319 7.644,1320 10.356,1322 2.171,1328 7.572,1333 1.93,1334 -0.477,1338 9.347,1339 2.258,1340 35.101,1341 75.979,1342 178.991,1343 236.683,1344 279.702,1345 284.457,1346 284.457,1347 55.467,1348 7.617,1349 56.46,1350 56.46,1351 22,1352 12.778,1353 4,1354 3.459,1355 44.745,1356 119,1357 109,1358 0.185,1359 216.111,1360 385.21,1361 519.07,1362 20646,1364 20.269,1365 0.699,1366 0.587,1367 20.269,1368 17.026,1369 14.165,1370 0.443,1371 0.333,1372 10.597,1373 13.915,1374 10.323,1375 8.588,1376 14.165,1377 10.658,1378 12.262,1379 0.272,1380 0.18,1381 12.262,1382 8.116,1383 11.005,1384 0.175,1385 0.097,1386 11.005,1387 6.136,1388 9.24,1389 0.11,1390 0.054,1391 9.24,1392 4.503,1393 7.364,1394 0.072,1395 0.029,1396 7.364,1397 2.966,1398 0.291,1399 86.839,1400 0.215,1401 27.505,1402 0.506,1403 154,1404 366.671,1405 162.098,1406 367.681,1407 509.97,1408 344,1409 185,1410 380.383,1411 194.568,1412 390.236,1413 574.81,1414 369,1415 7.084}
{0 CHEMBL332760,1 1.417,2 11.821,3 5.121,4 26.227,5 112.365,6 6.659,7 0.387,8 4.123,9 4.253,10 3.605,11 3.644,12 5.117,13 3.605,14 4.709,15 4.908,16 4.027,17 4.088,18 5.666,19 4.031,20 4.973,21 5.168,22 4.111,23 4.303,24 5.876,25 4.209,26 5.18,27 5.441,28 4.015,29 4.333,30 6.039,31 4.194,32 5.109,33 5.368,34 3.806,35 4.177,36 6.014,37 4.011,38 4.953,39 5.264,40 3.595,41 3.875,42 5.756,43 3.724,44 4.474,45 4.69,46 3.57,47 3.652,48 5.508,49 3.585,50 4.515,51 4.728,52 3.549,53 3.629,54 5.672,55 3.571,56 0.046,57 0.825,58 13.348,59 5.404,60 10.253,61 7.616,62 0.417,63 1.377,64 25.258,65 9.033,66 35.681,67 13.166,68 0.212,69 1.748,70 32.509,71 12.322,72 29.916,73 17.676,74 0.352,75 1.964,76 41.087,77 14.282,78 48.734,79 21.204,80 0.364,81 1.698,82 38.574,83 13.947,84 57.463,85 20.002,86 0.465,87 1.324,88 34.15,89 11.001,90 50.422,91 16.098,92 0.295,93 0.962,94 20.579,95 6.669,96 29.309,97 9.472,98 0.398,99 0.952,100 21.951,101 6.597,102 50.785,103 9.152,104 38,105 47,106 0.234,107 0.55,108 0.74,109 0.827,110 0.835,111 0.835,112 3.375,113 0.964,114 -4.97,115 -4.87,116 -4.57,121 40.4,122 3,123 1,124 1,125 1,126 2,127 1,130 1,144 7,145 2,146 3,161 1,176 12,179 2,180 7,183 2,185 2,187 15,192 8,197 2,200 13,206 9,211 3,214 7,218 1,219 9,224 3,227 2,231 1,232 3,237 3,239 4,243 1,244 4,247 1,249 2,251 8,255 1,256 4,259 1,264 8,269 2,277 10,281 1182,282 18.341,283 18.341,284 18.341,285 18.341,286 18.341,287 16.826,288 29.648,289 10.308,290 18.705,291 15.234,292 15.234,293 15.234,294 15.234,295 15.234,296 12.822,297 39.43,298 4.841,299 15.818,300 4.415,301 2.496,302 1.341,303 0.816,304 0.768,305 0.768,306 4.063,311 1,312 1,313 722,314 3.873,317 115.541,318 157.251,320 93.176,321 98.739,324 138.017,325 1.776,326 19.195,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 59.5,338 331,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 4.126,349 3.675,350 6.211,351 3.792,352 2.804,353 3.691,354 0.966,355 8.83,356 2.777,357 3.979,358 2.993,359 6.169,360 3.643,361 2.688,362 3.319,363 0.693,364 8.46,365 2.563,366 3.748,367 2.823,368 5.931,369 3.465,370 2.504,371 2.999,372 0.366,373 8.248,374 2.396,375 3.557,376 2.743,377 5.541,378 3.355,379 2.416,380 2.786,382 7.467,383 2.259,384 3.422,385 2.531,386 5.29,387 3.183,388 2.241,389 2.517,391 6.741,392 2.098,393 3.236,394 2.415,395 4.792,396 2.84,397 1.859,398 2.382,400 5.03,401 1.803,402 2.616,403 1.746,404 4.593,405 2.417,406 1.469,407 1.63,409 4.332,410 1.386,411 2.519,412 1.314,413 4.213,414 2.223,415 1.228,416 1.523,418 3.06,419 1.219,420 2.5,421 1.171,422 3.77,423 2.127,424 1.133,425 1.5,427 2.909,428 1.126,429 2.45,430 1,431 3.721,432 2,433 1,434 1.439,436 2.275,437 1,438 1.785,439 0.933,440 3.414,441 1.694,442 0.729,443 0.761,445 1.823,446 0.702,447 1.283,448 0.741,449 3.088,450 1.011,451 0.089,452 0.102,454 0.243,455 0.081,456 1.21,457 0.396,458 2.982,459 0.804,460 -0.183,461 -0.224,463 -0.447,464 -0.178,465 0.762,466 -0.016,467 2.616,468 0.638,469 -0.305,470 -0.324,472 -0.75,473 -0.286,474 13.367,475 0.477,476 0.966,477 0.035,478 33.25,479 1.188,480 15,481 0.536,482 18.25,483 0.652,484 27.39,485 0.978,486 31.033,487 0.544,488 24.738,489 0.884,490 6.104,491 0.218,492 7.187,493 0.257,494 0.212,495 0.037,496 0.359,501 0.813,502 1.444,503 0.884,504 1.197,505 0.666,506 1.066,507 0.699,508 0.893,509 0.802,510 0.805,511 0.389,512 0.8,513 0.987,514 1.339,515 1.084,516 1.231,517 0.726,518 1.178,519 0.96,520 1.017,521 1.049,522 1.045,523 0.665,524 1.042,525 1.083,526 1.163,527 1.093,528 1.223,529 1.282,530 1.177,531 1.367,532 0.674,533 0.755,534 0.644,535 1.236,536 0.641,537 1.639,538 1.023,539 1.051,540 0.991,541 1.584,542 0.959,543 2.356,544 0.876,545 1.199,546 0.866,547 3.126,548 0.902,549 7.5,550 0.159,551 4.444,552 3.771,553 1.668,554 1,555 0.612,556 0.387,557 0.324,558 0.262,559 10186,560 20372,561 2.043,562 50.9,563 10,564 15,565 1,567 1,569 2,572 1.706,573 1.856,574 3.469,575 -0.394,582 80.796,583 1.417,584 3.336,585 4.492,586 5.017,587 5.065,588 5.065,589 2.955,590 4.593,591 4.779,592 3.682,593 1391.81,594 8.283,595 18463.1,600 332.475,601 1.708,602 4.703,603 0.242,604 0.007,605 0.095,606 0.077,607 0.04,608 0.032,609 0.023,610 0.014,611 0.012,612 0.011,613 0.553,614 0.33,615 1,616 0.82,617 141.427,618 0.009,619 -0.205,620 0.074,621 -0.072,622 -0.059,623 -0.005,624 0.299,625 0.266,626 0.19,627 0.218,628 0.261,629 0.198,630 -0.072,631 -0.232,632 -0.116,633 -0.179,634 -0.02,635 -0.159,636 -0.067,637 0.001,638 -0.072,639 -0.074,640 0.072,641 -0.066,642 0.019,643 -0.233,644 -0.106,645 -0.238,646 -0.039,647 -0.195,648 0.023,649 0.156,650 0.276,651 0.265,652 -0.005,653 0.293,654 0.005,655 0.019,656 0.003,657 -0.029,658 -0.043,659 -0.016,660 -0.176,661 0.132,662 -0.092,663 0.063,664 -0.195,665 0.003,666 2.131,667 5.373,668 0.643,669 25.617,670 0.99,671 1.128,672 3.735,673 13.952,674 0.646,675 3.466,676 3.871,677 4.19,678 4.511,679 4.71,680 4.804,681 4.97,682 5.024,683 5.004,684 5.081,685 6.925,686 0.602,687 379.55,688 3.466,689 5.056,690 5.943,691 6.87,692 7.779,693 8.715,694 9.638,695 10.579,696 11.512,697 12.458,698 5.3,701 1,704 1,705 1,715 7,720 5,722 12,736 1,737 1,741 57,743 13,744 2,745 31,747 60,748 23,749 12,750 5,751 7,756 4,757 7,763 3,764 1,766 1,767 1,770 1,772 13,773 10,774 1,777 1,782 1,786 1,793 29,794 5,795 1,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 5,868 28,876 2,877 1,878 1,880 2,881 2,882 1,893 3.5,896 1,898 1,901 15.083,902 11.733,903 5.931,904 3.517,907 2.192,908 1.281,909 0.953,910 4.883,911 10.002,912 3.664,913 4.248,914 4.775,915 5.322,916 5.813,917 6.006,918 6.334,919 6.552,920 6.63,921 6.861,922 0.875,923 49,924 10.393,926 4.447,927 0.026,929 7.568,931 20.351,933 17.325,936 2.068,937 57.917,940 1,941 329.591,942 138.133,943 24.259,945 36.145,948 138.133,949 365.736,950 24.259,951 43.268,952 22.651,953 66.334,954 25.145,955 34.377,956 18.534,957 317.82,959 329.591,960 162.392,961 36.145,964 306.049,965 59.687,968 52.251,969 110.141,972 329.591,973 60.404,974 138.133,977 329.591,978 28.531,979 115.851,980 18.011,981 36.145,982 329.591,983 60.404,984 138.133,986 0.605,987 0.361,988 0.195,989 0.101,990 25,991 12,992 0.067,993 4,994 2,995 1.222,996 3.892,997 250.349,998 0.222,999 18,1000 128.606,1005 19.285,1006 7.089,1007 3.326,1009 60.404,1010 13.856,1015 5.039,1017 18.011,1018 528.128,1019 38,1024 12.373,1028 -0.464,1031 56.447,1032 64.311,1034 0.243,1035 0.572,1036 0.77,1037 0.86,1038 0.868,1039 0.868,1040 4.97,1041 1.469,1042 5.999,1043 5.03,1044 4.554,1045 4.934,1046 2.466,1047 6.934,1048 4.484,1049 6.195,1050 1.228,1051 7.646,1052 4.332,1053 4.443,1054 4.856,1055 1.905,1056 8.289,1057 4.349,1058 7.535,1059 1.133,1060 9.409,1061 3.06,1062 6.304,1063 7.057,1064 3.531,1065 11.445,1066 6.177,1067 8.909,1068 1,1069 11.246,1070 2.909,1071 7.004,1072 7.72,1073 3.612,1074 13.714,1075 6.864,1076 10.318,1077 0.729,1078 13.136,1079 2.275,1080 8.438,1081 9.484,1082 4.913,1083 16.533,1084 8.274,1085 11.753,1086 0.089,1087 15.067,1088 1.823,1089 9.493,1090 10.492,1091 5.293,1092 19.126,1093 9.318,1094 13.211,1095 -0.183,1096 17.031,1097 0.243,1098 10.811,1099 12.078,1100 6.388,1101 21.874,1102 10.616,1103 3.737,1104 -0.305,1105 19.02,1106 -0.447,1107 12.018,1108 13.269,1109 6.931,1110 24.564,1111 11.809,1112 2.804,1113 15.306,1114 21.03,1115 -0.75,1116 13.315,1117 14.771,1118 7.902,1119 27.297,1120 13.087,1121 2.688,1122 8.83,1123 23.056,1124 4.206,1125 14.585,1126 16.063,1127 8.539,1128 30.014,1129 14.339,1130 2.504,1131 8.46,1132 25.094,1133 3.691,1134 15.886,1135 17.524,1136 9.436,1137 32.744,1138 15.621,1139 2.416,1140 8.248,1141 27.143,1142 3.319,1143 17.183,1144 18.875,1145 10.13,1146 35.469,1147 16.897,1148 2.241,1149 7.467,1150 29.199,1151 2.999,1152 18.49,1153 20.317,1154 10.981,1155 38.197,1156 18.184,1157 1.859,1158 6.741,1159 31.261,1160 2.786,1161 19.798,1162 21.701,1163 11.71,1164 40.924,1165 19.471,1166 9739,1167 13941,1168 19.997,1169 36.824,1170 48.239,1171 49.069,1172 50.641,1173 47.768,1174 47.796,1175 57.711,1176 8.422,1177 149.448,1178 46.134,1179 5.797,1180 5.973,1181 7.42,1182 5.806,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 16.932,1189 1.556,1190 1.583,1191 1.634,1192 1.541,1193 1.542,1194 1.862,1195 0.272,1196 4.821,1197 1.488,1198 4.094,1199 4.132,1200 4.041,1201 3.998,1202 7.435,1203 4.003,1204 3.947,1205 3.981,1206 3.882,1207 3.881,1208 4.844,1209 3.876,1210 3.703,1211 3.745,1212 3.621,1213 3.564,1214 4.74,1215 3.568,1216 3.541,1217 3.606,1218 3.421,1219 3.388,1220 4.446,1221 3.379,1222 3.355,1223 3.414,1224 3.238,1225 3.097,1226 4.183,1227 3.125,1228 3.265,1229 3.354,1230 3.09,1231 3.045,1232 4.107,1233 3.038,1234 3.213,1235 3.281,1236 3.03,1237 2.956,1238 3.906,1239 2.983,1240 2.976,1241 3.093,1242 2.687,1243 2.761,1244 3.865,1245 2.726,1246 0.156,1247 0.128,1248 0.258,1249 0.152,1250 0.121,1251 4.832,1252 0.136,1253 3.973,1254 0.071,1255 8.006,1256 0.494,1257 4.714,1258 0.118,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.94,1265 1.911,1266 2.069,1267 2.037,1268 1.31,1269 2.046,1270 1.901,1271 1.881,1272 2.003,1273 1.986,1274 1.252,1275 1.992,1276 1.633,1277 1.577,1278 1.833,1279 1.836,1280 1.058,1281 1.837,1282 1.545,1283 1.479,1284 1.798,1285 1.762,1286 1.013,1287 1.779,1288 1.53,1289 1.45,1290 1.786,1291 1.726,1292 0.909,1293 1.751,1294 1.244,1295 1.18,1296 1.58,1297 1.532,1298 0.644,1299 1.538,1300 1.111,1301 1.056,1302 1.453,1303 1.42,1304 0.563,1305 1.396,1306 1.014,1307 0.899,1308 1.417,1309 1.291,1310 0.469,1311 1.353,1312 4.143,1314 5.525,1315 3.045,1316 7.098,1317 5.638,1318 8.762,1319 7.921,1320 10.484,1322 10.923,1328 2.173,1329 2.816,1330 5.595,1332 0.816,1333 4.733,1334 0.057,1340 34.342,1341 80.796,1342 190.178,1343 256.029,1344 285.945,1345 288.7,1346 288.7,1347 44.948,1348 7.81,1349 44.81,1350 44.81,1351 22,1352 12.952,1353 3.807,1354 3,1355 42.777,1356 117,1357 120,1358 0.18,1359 209.704,1360 367.32,1361 503.439,1362 26906,1364 20.052,1365 0.716,1366 0.619,1367 20.052,1368 17.321,1369 13.292,1370 0.429,1371 0.321,1372 9.834,1373 12.837,1374 9.381,1375 7.871,1376 13.292,1377 9.958,1378 12.958,1379 0.276,1380 0.183,1381 12.958,1382 8.603,1383 10.92,1384 0.168,1385 0.097,1386 10.92,1387 6.336,1388 9.56,1389 0.106,1390 0.054,1391 9.56,1392 4.82,1393 7.319,1394 0.067,1395 0.029,1396 7.319,1397 3.147,1398 0.286,1399 82.833,1400 0.224,1401 26.84,1402 0.48,1403 156,1404 377.094,1405 169.359,1406 366.997,1407 513.49,1408 344,1409 190,1410 393.092,1411 203.642,1412 401.676,1413 592.69,1414 375,1415 6.119}
{0 CHEMBL33332,1 1.539,2 9.591,3 2.622,4 6.874,5 85.998,6 7.409,7 0.667,8 3.797,9 3.912,10 3.365,11 3.304,12 4.969,13 3.294,14 4.284,15 4.457,16 3.647,17 3.676,18 5.306,19 3.644,20 4.447,21 4.627,22 3.686,23 3.818,24 5.429,25 3.742,26 4.602,27 4.827,28 3.612,29 3.763,30 5.565,31 3.663,32 4.533,33 4.778,34 3.438,35 3.583,36 5.525,37 3.489,38 4.413,39 4.662,40 3.179,41 3.424,42 5.386,43 3.309,44 4.156,45 4.418,46 3.168,47 3.363,48 4.996,49 3.259,50 4.103,51 4.334,52 3.247,53 3.401,54 5.067,55 3.318,56 0.077,57 0.583,58 8.32,59 3.488,60 14.233,61 4.566,62 0.264,63 0.907,64 15.128,65 5.35,66 16.65,67 7.146,68 0.139,69 1.04,70 17.458,71 7.355,72 14.772,73 9.824,74 0.33,75 1.108,76 22.4,77 7.897,78 26.889,79 11.086,80 0.303,81 0.968,82 21.95,83 7.12,84 37.163,85 9.886,86 0.472,87 0.817,88 20.408,89 6.304,90 50.752,91 8.542,92 0.152,93 0.726,94 14.708,95 5.111,96 17.387,97 7.476,98 0.13,99 0.717,100 13.298,101 4.846,102 16.566,103 6.907,104 7,105 32,106 0.271,107 0.592,108 0.753,109 0.831,110 0.882,111 0.9,112 3.146,113 0.894,114 -3.4,115 -3.39,116 -3.24,121 42.5,126 1,127 1,128 1,144 7,145 3,147 1,153 1,157 1,163 1,172 1,176 11,180 1,182 2,187 14,191 1,192 2,194 1,200 12,205 1,206 3,209 1,213 1,214 6,216 1,218 1,219 3,227 2,229 2,232 2,235 1,241 3,244 3,253 3,256 5,261 1,266 1,269 6,274 2,281 588,282 15.267,283 15.267,284 15.267,285 15.267,286 15.267,287 12.96,288 15.27,289 9.283,290 15.671,291 11.819,292 11.819,293 11.819,294 11.819,295 11.819,296 8.625,297 22.055,298 4.27,299 12.413,300 3.783,301 1.963,302 1.048,303 0.607,304 0.319,305 0.219,306 3.831,310 1,311 1,312 1,313 453,314 2.828,317 61.202,318 110.415,322 94.379,325 1.302,326 11.212,327 1,328 1,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 47.5,338 211,339 4.493,340 3.631,341 6.506,342 4.028,343 3.038,344 4.43,345 1.697,346 10.195,347 3.023,348 4.398,349 3.159,350 6.47,351 3.939,352 3.016,353 4.086,354 1.24,355 10.002,356 2.769,357 3.515,358 3.073,359 5.204,360 3.12,361 2.144,362 2.908,363 0.362,364 6.256,365 2.098,366 3.167,367 2.483,368 4.951,369 2.786,370 1.888,371 2.427,373 5.41,374 1.689,375 3.118,376 2.131,377 4.177,378 2.618,379 1.618,380 2.338,382 3.816,383 1.618,384 3.041,385 1.636,386 4.109,387 2.474,388 1.528,389 2.128,391 3.599,392 1.443,393 2.771,394 1.618,395 3.612,396 2.279,397 1.29,398 1.905,400 2.893,401 1.277,402 2.475,403 1.431,404 3.493,405 2.105,406 1.188,407 1.468,409 2.618,410 1.081,411 2.362,412 1.27,413 3.228,414 1.824,415 0.866,416 1.227,418 1.857,419 0.827,420 2.126,421 0.972,422 3.105,423 1.738,424 0.793,425 1.032,427 1.54,428 0.744,429 1.33,430 0.671,431 2.675,432 1.084,433 0.14,434 0.158,436 0.299,437 0.131,438 1.006,439 0.378,440 2.322,441 0.726,442 -0.239,443 -0.284,445 -0.491,446 -0.229,447 0.882,448 -0.153,449 2,450 0.382,451 -0.618,452 -0.798,454 -1.334,455 -0.581,456 0.685,457 -0.438,458 2,459 0.323,460 -0.621,461 -0.927,463 -1.478,464 -0.618,465 0.449,466 -0.618,467 2,468 0.065,469 -0.868,470 -1.067,472 -1.76,473 -0.803,474 10.367,475 0.471,476 0.38,477 0.017,478 29,479 1.318,480 14.5,481 0.659,482 14.5,483 0.659,484 14.541,485 0.661,486 23.533,487 0.588,488 20.082,489 0.913,490 6.326,491 0.288,492 4.466,493 0.203,494 0.08,496 0.27,501 0.828,502 1.358,503 0.792,504 1.093,505 0.807,506 0.966,507 1.171,508 0.814,509 0.981,510 0.75,511 0.68,512 0.81,513 0.719,514 1.085,515 1.005,516 1.201,517 0.624,518 1.159,519 0.868,520 1.105,521 1.058,522 1.172,523 0.652,524 1.15,525 1.281,526 0.964,527 1.059,528 1.043,529 1.029,530 1.018,531 1.661,532 0.808,533 1.172,534 0.791,535 1.807,536 0.906,537 0.707,538 0.905,539 0.794,540 0.799,541 0.537,542 0.803,543 0.754,544 0.965,545 0.847,546 0.852,547 0.879,548 0.856,549 3,550 0.078,551 2.667,552 1.604,553 0.806,554 0.341,555 0.202,556 0.213,557 0.178,558 0.135,559 5215,560 13760,561 2.097,562 45,564 12,565 3,566 2,567 1,572 1.642,573 2,574 3.234,575 -0.31,576 1,577 1,579 1,582 61.577,583 1.539,584 3.359,585 4.274,586 4.715,587 5.003,588 5.103,589 2.59,590 4.005,591 4.437,592 3.374,593 779.45,594 7.602,595 8840.98,596 1,597 1,598 1,599 1,600 212.877,601 1.241,602 4.407,603 0.125,604 0.007,605 0.083,606 0.05,607 0.03,608 0.015,609 0.012,610 0.011,611 0.008,612 0.007,613 0.349,614 0.67,615 1,616 0.923,617 102.191,618 0.082,619 -0.195,620 0.062,621 -0.062,622 0.04,623 -0.021,624 -0.116,625 0.319,626 -0.058,627 0.22,628 -0.095,629 0.113,630 0.02,631 -0.033,632 -0.119,633 -0.172,634 -0.019,635 -0.17,636 0.124,637 -0.128,638 -0.086,639 -0.202,640 0.05,641 -0.182,642 -0.048,643 -0.041,644 -0.03,645 -0.097,646 0.03,647 -0.06,648 -0.143,649 0.055,650 -0.098,651 0.155,652 -0.202,653 0.047,654 -0.015,655 0.057,656 0.175,657 0.18,658 0.039,659 0.204,660 -0.057,661 0.049,662 0.089,663 0.141,664 -0.025,665 0.139,666 1.106,667 2.711,668 0.682,669 15.545,670 1.002,671 1.126,672 2.174,673 4.725,674 0.666,675 3.219,676 3.497,677 3.784,678 4.025,679 4.127,680 4.025,681 4.078,682 4.159,683 4.263,684 4.22,685 5.81,686 0.636,687 296.38,688 3.219,689 4.727,690 5.572,691 6.435,692 7.295,693 8.162,694 9.026,695 9.894,696 10.759,697 11.627,698 7.5,706 1,707 1,708 1,714 2,715 9,720 2,721 2,722 16,726 1,741 40,743 17,744 2,745 24,747 42,748 17,749 13,750 3,751 7,752 1,756 3,757 4,772 14,773 3,777 1,784 1,785 1,789 1,790 1,793 18,794 3,795 1,796 5,799 1,802 3,803 1,808 0.667,809 2,828 1,829 2,833 1,857 1,858 1,859 2,864 1,868 22,875 1,876 2,878 1,893 5,897 1,898 1,901 11,902 7.35,903 5.028,904 2.194,907 3.365,908 1.492,909 0.962,910 4.513,911 10.204,912 3.526,913 4.139,914 4.77,915 5.368,916 5.784,917 5.919,918 6.223,919 6.528,920 6.879,921 6.727,922 1,923 32,924 8.048,926 3.283,927 0.026,929 7.689,931 15.444,933 12.261,936 2.189,937 48.167,940 1,941 200.109,942 121.288,943 17.046,945 53.806,948 121.288,949 253.914,950 17.046,951 8.396,952 8.756,953 75.381,954 47.817,955 75.331,956 35.313,957 141.253,959 200.109,960 138.333,961 53.806,964 200.109,965 42.806,966 11,968 35.278,969 92.109,970 10.947,972 200.109,973 70.851,974 121.288,977 200.109,978 19.415,979 105.671,981 67.053,982 200.109,983 70.851,984 121.288,986 0.562,987 0.342,988 0.197,989 0.1,990 15,991 6,992 0.119,993 5,994 1,995 1.133,996 3.517,997 165.869,998 0.133,999 15,1000 92.107,1005 14.755,1006 6.728,1007 3.21,1008 2.421,1009 67.053,1010 18.267,1015 1.924,1016 3.742,1017 42.806,1018 392.248,1019 33,1026 1.39,1027 3.085,1031 40.087,1032 45.028,1034 0.289,1035 0.631,1036 0.803,1037 0.886,1038 0.94,1039 0.959,1040 4.718,1041 1.188,1042 5.525,1043 2.893,1044 4.174,1045 4.824,1046 2.312,1047 6.319,1048 4.085,1049 5.922,1050 0.866,1051 7.069,1052 2.618,1053 3.611,1054 4.559,1056 7.222,1057 3.485,1058 7.223,1059 0.793,1060 8.722,1061 1.857,1062 5.733,1063 7.085,1064 3.107,1065 10.336,1066 5.567,1067 8.569,1068 0.14,1069 10.444,1070 1.54,1071 6.089,1072 7.76,1074 12.125,1075 5.883,1076 9.954,1077 -0.239,1078 12.21,1079 0.299,1080 7.614,1081 9.675,1082 4.026,1083 14.719,1084 7.379,1085 11.366,1086 -0.618,1087 14.005,1088 -0.491,1089 8.395,1090 10.784,1092 16.833,1093 8.122,1094 12.8,1095 -0.621,1096 15.821,1097 -1.334,1098 9.674,1099 12.445,1100 5.009,1101 19.253,1102 9.375,1103 3.038,1104 -0.868,1105 17.651,1106 -1.478,1107 10.643,1108 13.752,1110 21.488,1111 10.31,1112 3.016,1113 10.195,1114 19.491,1115 -1.76,1116 11.821,1117 15.303,1118 6.027,1119 23.844,1120 11.464,1121 2.144,1122 10.002,1123 21.339,1124 4.43,1125 12.87,1126 16.699,1128 26.126,1129 12.484,1130 1.888,1131 6.256,1132 23.191,1133 4.086,1134 14.007,1135 18.204,1136 7.064,1137 28.457,1138 13.598,1139 1.618,1140 5.41,1141 25.048,1142 2.908,1143 15.09,1144 19.64,1146 30.758,1147 14.655,1148 1.528,1149 3.816,1150 26.908,1151 2.427,1152 16.209,1153 21.127,1154 8.11,1155 33.079,1156 15.754,1157 1.29,1158 3.599,1159 28.771,1160 2.338,1161 17.306,1162 22.582,1164 35.387,1165 16.83,1166 5065,1167 8311,1168 16.296,1169 26.637,1170 35.434,1171 37.604,1172 36.392,1173 35.001,1174 35.015,1175 48.213,1176 6.598,1177 96.97,1178 33.398,1179 5.371,1180 5.631,1181 6.265,1182 5.125,1183 5.038,1184 7.43,1185 3.394,1186 16.972,1187 5.023,1188 8.501,1189 1.476,1190 1.567,1191 1.516,1192 1.458,1193 1.459,1194 2.009,1195 0.275,1196 4.04,1197 1.392,1198 4.097,1199 4.126,1200 4.049,1201 4.052,1202 6.546,1203 4.047,1204 4.013,1205 4.068,1206 3.967,1207 3.801,1208 4.925,1209 3.837,1210 3.512,1211 3.553,1212 3.409,1213 3.415,1214 4.839,1215 3.406,1216 3.336,1217 3.393,1218 3.212,1219 3.131,1220 4.486,1221 3.138,1222 3.25,1223 3.316,1224 3.158,1225 2.953,1226 4.294,1227 2.988,1228 3.123,1229 3.204,1230 2.964,1231 2.931,1232 4.04,1233 2.93,1234 2.915,1235 2.989,1236 2.716,1237 2.717,1238 3.834,1239 2.703,1240 2.712,1241 2.809,1242 2.54,1243 2.577,1244 3.737,1245 2.561,1246 0.187,1247 0.151,1248 0.271,1249 0.168,1250 0.127,1251 4.493,1252 0.185,1253 3.631,1254 0.071,1255 6.506,1256 0.425,1257 4.028,1258 0.126,1259 3.038,1260 4.43,1261 1.697,1262 10.195,1263 3.023,1264 2.078,1265 2.061,1266 2.163,1267 2.133,1268 1.318,1269 2.144,1270 1.648,1271 1.586,1272 1.798,1273 1.914,1274 0.939,1275 1.88,1276 1.555,1277 1.496,1278 1.747,1279 1.792,1280 0.843,1281 1.784,1282 1.494,1283 1.447,1284 1.673,1285 1.622,1286 0.767,1287 1.642,1288 1.226,1289 1.18,1290 1.457,1291 1.467,1292 0.577,1293 1.454,1294 1.05,1295 0.971,1296 1.342,1297 1.361,1298 0.356,1299 1.356,1300 0.919,1301 0.845,1302 1.237,1303 1.145,1304 0.311,1305 1.185,1306 0.761,1307 0.671,1308 1.12,1309 1.019,1310 0.219,1311 1.053,1312 3.892,1314 5.176,1315 2.398,1316 6.668,1317 4.727,1318 8.26,1319 6.783,1320 9.902,1322 1.887,1327 8.711,1328 0.921,1330 5.821,1340 25.445,1341 61.577,1342 134.355,1343 170.961,1344 188.612,1345 200.122,1346 204.122,1347 25.84,1348 6.838,1349 50.63,1350 50.63,1351 17,1352 12.172,1353 4.17,1354 3.322,1355 34.615,1356 79,1357 69,1358 0.219,1359 158.08,1360 263.66,1361 377.475,1362 8485,1364 15.364,1365 0.698,1366 0.565,1367 15.364,1368 12.438,1369 10.792,1370 0.45,1371 0.298,1372 7.025,1373 10.29,1374 6.843,1375 5.723,1376 10.792,1377 7.154,1378 9.098,1379 0.284,1380 0.163,1381 9.098,1382 5.213,1383 7.824,1384 0.182,1385 0.088,1386 7.824,1387 3.783,1388 6.654,1389 0.121,1390 0.048,1391 6.654,1392 2.634,1393 5.119,1394 0.084,1395 0.027,1396 5.119,1397 1.64,1398 0.345,1399 68.297,1400 0.248,1401 21.86,1402 0.59,1403 112,1404 319.508,1405 122.035,1406 309.683,1407 421.79,1408 290,1409 131,1410 309.86,1411 142.34,1412 316.366,1413 451.9,1414 294,1415 5.42}
{0 CHEMBL333580,1 1.471,2 12.379,3 4.967,4 24.672,5 113.984,6 6.82,7 0.375,8 4.15,9 4.274,10 3.651,11 3.647,12 5.17,13 3.619,14 4.73,15 4.918,16 4.066,17 4.074,18 5.722,19 4.032,20 5,21 5.183,22 4.163,23 4.29,24 5.949,25 4.219,26 5.183,27 5.422,28 4.075,29 4.32,30 6.086,31 4.202,32 5.131,33 5.394,34 3.914,35 4.169,36 6.049,37 4.041,38 4.937,39 5.203,40 3.695,41 3.951,42 5.821,43 3.819,44 4.683,45 4.942,46 3.643,47 3.771,48 5.633,49 3.677,50 4.593,51 4.81,52 3.61,53 3.693,54 5.76,55 3.623,56 0.079,57 0.832,58 13.468,59 5.495,60 10.858,61 7.576,62 0.44,63 1.357,64 25.667,65 9.045,66 38.245,67 12.921,68 0.313,69 1.712,70 33.613,71 12.351,72 36.278,73 17.022,74 0.385,75 1.912,76 41.455,77 14.246,78 55.24,79 20.589,80 0.481,81 1.71,82 40.218,83 12.992,84 62.102,85 19.009,86 0.511,87 1.368,88 33.498,89 10.735,90 51.915,91 15.589,92 0.402,93 1.115,94 25.703,95 8.234,96 36.821,97 12.006,98 0.442,99 1.011,100 23.518,101 7.261,102 60.804,103 10.251,104 38,105 48,106 0.242,107 0.559,108 0.746,109 0.831,110 0.838,111 0.838,112 3.408,113 0.949,114 -5.01,115 -4.91,116 -4.6,121 39.7,122 3,123 1,124 1,125 1,126 2,127 1,130 1,144 7,145 2,146 3,161 1,168 1,176 12,179 2,180 7,183 2,185 2,187 15,191 1,192 10,197 2,200 13,206 11,211 3,214 7,218 1,219 11,224 3,227 2,231 1,232 4,237 3,239 4,243 2,244 4,247 1,249 2,251 8,255 1,256 4,259 1,264 8,268 1,269 2,272 1,277 10,281 1316,282 18.996,283 18.996,284 18.996,285 18.996,286 18.996,287 17.481,288 28.615,289 10.752,290 19.374,291 15.74,292 15.74,293 15.74,294 15.74,295 15.74,296 13.328,297 35.162,298 5.084,299 16.366,300 4.387,301 2.453,302 1.318,303 0.802,304 0.755,305 0.755,306 4.098,311 1,312 1,313 779,314 3.873,317 52.699,318 233.617,321 202.965,325 1.815,326 22.192,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 62.5,338 359,339 4.806,340 4.355,341 7.955,342 4.678,343 3.702,344 4.197,345 2.448,346 15.058,347 3.619,348 4.126,349 3.814,350 6.181,351 3.792,352 2.804,353 3.691,354 2.186,355 8.78,356 2.777,357 3.958,358 3.673,359 5.966,360 3.628,361 2.672,362 3.291,363 0.886,364 8.251,365 2.547,366 3.74,367 2.992,368 5.931,369 3.467,370 2.508,371 2.99,372 0.366,373 7.924,374 2.397,375 3.561,376 2.753,377 5.53,378 3.32,379 2.381,380 2.78,381 0.268,382 7.348,383 2.225,384 3.382,385 2.678,386 5.273,387 3.221,388 2.277,389 2.492,391 6.653,392 2.137,393 3.263,394 2.435,395 4.968,396 2.931,397 1.966,398 2.36,400 5.668,401 1.881,402 2.955,403 2.154,404 4.623,405 2.675,406 1.712,407 2.003,409 4.864,410 1.633,411 2.534,412 1.458,413 4.262,414 2.224,415 1.23,416 1.546,418 3.179,419 1.221,420 2.5,421 1.314,422 3.771,423 2.146,424 1.156,425 1.5,427 2.909,428 1.143,429 2.451,430 1.116,431 3.738,432 2,433 1,434 1.44,436 2.275,437 1,438 1.931,439 1,440 3.414,441 1.799,442 0.851,443 0.906,445 2.135,446 0.801,447 1.293,448 0.802,449 3.135,450 1.087,451 0.155,452 0.164,454 0.391,455 0.143,456 1.225,457 0.53,458 2.988,459 0.985,460 0.06,461 0.066,463 0.154,464 0.055,465 1.133,466 0.385,467 2.809,468 0.787,469 -0.198,470 -0.253,472 -0.48,473 -0.192,474 13.7,475 0.472,476 0.983,477 0.034,478 34,479 1.172,480 15,481 0.517,482 19,483 0.655,484 28.638,485 0.988,486 32.5,487 0.56,488 26.147,489 0.902,490 6.364,491 0.219,492 7.411,493 0.256,494 0.207,495 0.036,496 0.35,501 0.734,502 1.407,503 0.851,504 1.207,505 0.676,506 1.067,507 0.781,508 0.943,509 0.788,510 0.851,511 0.457,512 0.813,513 1.239,514 1.192,515 1.099,516 1.164,517 0.857,518 1.122,519 1.087,520 1.163,521 1.071,522 1.134,523 0.778,524 1.105,525 1.145,526 0.983,527 1.024,528 1.01,529 1.232,530 0.996,531 1.228,532 0.957,533 0.988,534 0.922,535 1.262,536 0.927,537 1.055,538 0.808,539 0.852,540 0.813,541 1.22,542 0.802,543 1.526,544 1.004,545 1.099,546 0.987,547 2.552,548 0.981,549 8,550 0.131,551 4.444,552 3.646,553 1.813,554 1.271,555 0.587,556 0.471,557 0.281,558 0.323,559 11152,560 24158,561 2.041,562 50,563 10,564 15,565 1,567 1,569 2,572 1.715,573 1.861,574 3.533,575 -0.371,582 85.33,583 1.471,584 3.405,585 4.54,586 5.056,587 5.103,588 5.103,589 3.03,590 4.513,591 4.828,592 3.731,593 1514.77,594 8.386,595 20596.4,597 1,600 339.763,601 1.694,602 4.757,603 0.25,604 0.005,605 0.093,606 0.071,607 0.041,608 0.035,609 0.02,610 0.016,611 0.01,612 0.013,613 0.556,614 0.33,615 1,616 0.805,617 148.241,618 0.095,619 -0.157,620 0.081,621 -0.071,622 -0.056,623 -0.011,624 0.243,625 0.203,626 0.193,627 0.181,628 0.243,629 0.183,630 -0.117,631 -0.099,632 -0.118,633 -0.115,634 -0.058,635 -0.118,636 -0.088,637 -0.163,638 -0.09,639 -0.143,640 0.031,641 -0.12,642 -0.046,643 -0.031,644 -0.02,645 -0.062,646 -0.02,647 -0.037,648 -0.011,649 -0.05,650 0.03,651 0.024,652 -0.061,653 0.03,654 0.091,655 0.163,656 0.162,657 0.13,658 0.01,659 0.153,660 0.019,661 -0.008,662 -0.048,663 -0.034,664 -0.03,665 -0.045,666 2.157,667 5.396,668 0.655,669 28.195,670 0.996,671 1.13,672 3.775,673 14.253,674 0.643,675 3.497,676 3.892,677 4.19,678 4.489,679 4.762,680 4.836,681 4.984,682 5.106,683 5.075,684 5.13,685 7.107,686 0.604,687 395.55,688 3.497,689 5.081,690 5.958,691 6.876,692 7.779,693 8.704,694 9.621,695 10.552,696 11.478,697 12.414,698 5.2,701 1,704 1,705 1,715 7,720 5,722 12,736 1,737 1,741 58,743 13,744 2,745 32,747 61,748 23,749 12,750 5,751 7,756 4,757 7,763 3,764 1,766 1,767 1,770 1,772 13,773 10,774 1,777 1,782 1,786 1,793 29,794 6,795 1,796 6,802 3,808 0.5,809 3,828 1,829 3,832 2,852 1,859 2,864 5,868 29,876 2,877 1,878 2,880 2,881 2,882 1,893 5.2,896 1,897 1,898 1,901 15.583,902 11.9,903 6.153,904 3.539,907 2.186,908 1.276,909 0.947,910 5.319,911 10.094,912 3.689,913 4.263,914 4.775,915 5.312,916 5.825,917 6.006,918 6.328,919 6.564,920 6.635,921 6.887,922 1,923 51,924 10.762,926 4.598,927 0.026,929 7.618,931 20.886,933 17.553,936 2.118,937 61.417,939 1,940 1,941 329.591,942 138.133,943 26.874,945 47.364,948 138.133,949 376.954,950 26.874,951 43.268,952 22.651,953 66.334,954 36.364,955 36.991,956 18.534,957 317.82,959 329.591,960 165.007,961 47.364,964 306.049,965 59.687,966 11.219,968 54.865,969 110.141,972 329.591,973 74.237,974 138.133,977 329.591,978 28.531,979 118.465,980 18.011,981 47.364,982 329.591,983 74.237,984 138.133,986 0.603,987 0.354,988 0.187,989 0.108,990 25,991 12,992 0.066,993 4,994 2,995 1.211,996 3.973,997 261.619,998 0.211,999 19,1000 134.881,1005 20.205,1006 7.635,1007 3.747,1009 74.237,1010 13.649,1015 4.759,1017 18.011,1018 541.961,1019 39,1024 12.396,1028 -0.491,1031 57.774,1032 65.521,1034 0.251,1035 0.581,1036 0.775,1037 0.863,1038 0.871,1039 0.871,1040 4.99,1041 1.712,1042 6.009,1043 5.668,1044 4.575,1045 4.949,1046 3.097,1047 6.925,1048 4.501,1049 6.21,1050 1.23,1051 7.644,1052 4.864,1053 4.443,1054 4.856,1055 2.242,1056 8.249,1057 4.348,1058 7.543,1059 1.156,1060 9.395,1061 3.179,1062 6.308,1063 7.058,1064 4.563,1065 11.388,1066 6.175,1067 8.909,1068 1,1069 11.221,1070 2.909,1071 6.976,1072 7.707,1073 4.171,1074 13.631,1075 6.834,1076 10.31,1077 0.851,1078 13.1,1079 2.275,1080 8.412,1081 9.475,1082 6.187,1083 16.436,1084 8.242,1085 11.737,1086 0.155,1087 15.022,1088 2.135,1089 9.442,1090 10.474,1091 6.035,1092 19.011,1093 9.262,1094 13.187,1095 0.06,1096 16.976,1097 0.391,1098 10.754,1099 12.062,1100 7.856,1101 21.743,1102 10.553,1103 3.702,1104 -0.198,1105 18.958,1106 0.154,1107 11.943,1108 13.247,1109 7.863,1110 24.416,1111 11.728,1112 2.804,1113 15.058,1114 20.961,1115 -0.48,1116 13.231,1117 14.75,1118 9.547,1119 27.133,1120 12.996,1121 2.672,1122 8.78,1123 22.98,1124 4.197,1125 14.488,1126 16.039,1127 9.674,1128 29.834,1129 14.235,1130 2.508,1131 8.251,1132 25.013,1133 3.691,1134 15.779,1135 17.5,1136 11.254,1137 32.547,1138 15.505,1139 2.381,1140 7.924,1141 27.055,1142 3.291,1143 17.064,1144 18.847,1145 11.479,1146 35.256,1147 16.77,1148 2.277,1149 7.348,1150 29.106,1151 2.99,1152 18.361,1153 20.288,1154 12.973,1155 37.968,1156 18.045,1157 1.966,1158 6.653,1159 31.162,1160 2.78,1161 19.658,1162 21.67,1163 13.282,1164 40.679,1165 19.321,1166 10679,1167 15897,1168 20.69,1169 37.279,1170 49.324,1171 51.35,1172 51.496,1173 48.868,1174 48.944,1175 58.853,1176 12.308,1177 151.177,1178 47.157,1179 5.806,1180 6.355,1181 7.369,1182 5.77,1183 5.702,1184 7.197,1185 4.714,1186 23.416,1187 5.619,1188 17.389,1189 1.541,1190 1.605,1191 1.609,1192 1.527,1193 1.53,1194 1.839,1195 0.385,1196 4.724,1197 1.474,1198 4.074,1199 4.104,1200 4.024,1201 3.978,1202 7.435,1203 3.984,1204 3.946,1205 3.979,1206 3.881,1207 3.88,1208 4.871,1209 3.875,1210 3.689,1211 3.731,1212 3.606,1213 3.525,1214 4.746,1215 3.532,1216 3.544,1217 3.608,1218 3.427,1219 3.388,1220 4.636,1221 3.378,1222 3.399,1223 3.466,1224 3.268,1225 3.16,1226 4.259,1227 3.177,1228 3.28,1229 3.371,1230 3.13,1231 3.049,1232 4.145,1233 3.052,1234 3.25,1235 3.295,1236 3.091,1237 2.968,1238 3.952,1239 3.009,1240 2.98,1241 3.094,1242 2.702,1243 2.758,1244 3.909,1245 2.726,1246 0.15,1247 0.136,1248 0.249,1249 0.146,1250 0.116,1251 4.806,1252 0.131,1253 4.355,1254 0.076,1255 7.955,1256 0.471,1257 4.678,1258 0.113,1259 3.702,1260 4.197,1261 2.448,1262 15.058,1263 3.619,1264 1.94,1265 1.912,1266 2.069,1267 2.038,1268 1.363,1269 2.047,1270 1.912,1271 1.89,1272 2.029,1273 2.01,1274 1.252,1275 2.018,1276 1.73,1277 1.683,1278 1.898,1279 1.936,1280 1.061,1281 1.923,1282 1.541,1283 1.477,1284 1.797,1285 1.737,1286 0.909,1287 1.757,1288 1.348,1289 1.258,1290 1.662,1291 1.616,1292 0.836,1293 1.635,1294 1.275,1295 1.208,1296 1.594,1297 1.547,1298 0.668,1299 1.557,1300 1.116,1301 1.072,1302 1.455,1303 1.427,1304 0.572,1305 1.397,1306 1.024,1307 0.913,1308 1.417,1309 1.297,1310 0.469,1311 1.357,1312 4.174,1314 5.549,1315 2.398,1316 7.119,1317 5.043,1318 8.782,1319 7.391,1320 10.499,1322 10.503,1328 1.835,1329 2.802,1330 11.656,1332 0.397,1333 4.051,1334 -0.14,1340 35.057,1341 85.33,1342 197.466,1343 263.317,1344 293.234,1345 295.988,1346 295.988,1347 49.57,1348 7.908,1349 54.04,1350 54.04,1351 23,1352 12.914,1353 3.807,1354 3,1355 45.03,1356 124,1357 129,1358 0.178,1359 213.701,1360 376.11,1361 513.189,1362 30708,1364 20.759,1365 0.716,1366 0.611,1367 20.759,1368 17.73,1369 13.775,1370 0.43,1371 0.316,1372 9.969,1373 13.195,1374 9.533,1375 7.988,1376 13.775,1377 10.118,1378 13.402,1379 0.279,1380 0.178,1381 13.402,1382 8.558,1383 11.154,1384 0.172,1385 0.094,1386 11.154,1387 6.12,1388 9.345,1389 0.106,1390 0.049,1391 9.345,1392 4.29,1393 7.911,1394 0.068,1395 0.027,1396 7.911,1397 3.137,1398 0.284,1399 86.586,1400 0.22,1401 27.663,1402 0.477,1403 160,1404 424.83,1405 177.288,1406 405.004,1407 564.07,1408 380,1409 193,1410 434.741,1411 210.709,1412 436.372,1413 641.11,1414 408,1415 5}
{0 CHEMBL333636,1 1.562,2 4.692,3 1.643,4 2.699,5 48.777,6 7.964,7 0.429,8 3.203,9 3.304,10 2.819,11 2.8,12 4.41,13 2.788,14 3.704,15 3.857,16 3.223,17 3.176,18 4.927,19 3.159,20 3.85,21 3.97,22 3.266,23 3.223,24 5.375,25 3.196,26 3.917,27 4.146,28 2.934,29 3.104,30 5.027,31 3.017,32 3.698,33 3.902,34 2.596,35 2.758,36 4.997,37 2.651,38 3.519,39 3.813,40 1.454,41 1.992,42 4.775,43 1.836,44 2.003,45 2.278,46 0.306,47 0.67,48 3.219,49 0.573,56 0.032,57 0.3,58 3.777,59 1.986,60 4.561,61 2.362,62 0.109,63 0.478,64 7.463,65 3.402,66 17.774,67 4.327,68 0.213,69 0.532,70 8.318,71 3.801,72 41.069,73 4.556,74 0.185,75 0.555,76 11.189,77 4.065,78 31.638,79 5.38,80 0.099,81 0.413,82 8.576,83 3.463,84 16.608,85 4.438,86 0.347,87 0.29,88 10.164,89 2.322,90 68.035,91 2.809,92 0.083,93 0.05,94 2.168,95 0.471,96 17.591,97 0.539,104 17,105 21,106 0.325,107 0.686,108 0.743,109 0.781,110 0.838,111 0.838,112 2.673,113 0.871,114 -2.82,115 -2.83,116 -2.75,121 45.5,122 2,144 2,145 3,146 1,159 1,160 1,176 6,180 1,183 1,185 2,187 7,191 1,192 2,195 1,197 3,200 6,206 4,211 1,214 2,219 6,224 1,232 1,281 111,282 8.293,283 8.293,284 8.293,285 8.293,286 8.293,287 7.28,288 11.025,289 4.629,290 8.294,291 6.863,292 6.863,293 6.863,294 6.863,295 6.863,296 5.196,297 13.8,298 2.182,299 6.838,300 2.898,301 1.16,302 0.887,303 0.705,304 0.432,305 0.432,306 3.295,311 1,312 1,313 125,314 1.732,317 22.065,318 27.181,321 41.667,325 0.686,326 16.754,329 1,330 0.67,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.83,337 28.5,338 61,339 4.569,340 3.893,341 6.785,342 4.231,343 3.229,344 4.224,345 1.058,346 11.077,347 3.234,348 3.87,349 3.01,350 5.784,351 3.502,352 2.479,353 3.262,355 7.541,356 2.527,357 3.434,358 2.852,359 5.073,360 3.081,361 2.087,362 2.735,364 5.999,365 2.071,366 3.141,367 2.327,368 4.91,369 2.73,370 1.711,371 2.312,373 5.144,374 1.734,375 2.566,376 1.852,377 4.074,378 2.147,379 1.134,380 1.443,382 3.087,383 1.136,384 1.617,385 1.022,386 2.772,387 1.191,388 0.133,389 0.187,391 0.317,392 0.139,393 0.916,394 0.133,395 2.578,396 0.538,397 -0.472,398 -0.594,400 -1.188,401 -0.475,402 0.708,403 -0.157,404 2.343,405 0.356,406 -0.669,407 -0.895,409 -1.691,410 -0.684,411 0.364,412 -0.287,413 1.757,414 0.046,415 -1,416 -1.244,418 -2.557,419 -1.023,420 -0.055,421 -1.081,422 1.466,423 -0.351,424 -1.41,425 -1.91,427 -4.067,428 -1.493,429 -0.23,430 -1.244,431 1.266,432 -0.517,433 -1.516,434 -2,436 -4.197,437 -1.538,438 -0.5,439 -1.539,440 1.124,441 -0.793,442 -1.79,443 -2.228,445 -5.777,446 -1.752,447 -0.579,448 -1.821,449 1.067,450 -0.961,451 -1.917,452 -2.292,454 -6.435,455 -1.877,456 -0.821,457 -2,458 1,459 -1,460 -2,461 -3,462 -1.058,463 -7.254,464 -2,474 6.067,475 0.467,476 0.494,477 0.038,478 17.5,479 1.346,480 9.5,481 0.731,482 8,483 0.615,484 7.686,485 0.591,486 13.733,487 0.624,488 10.449,489 0.804,490 3.518,491 0.271,492 2.574,493 0.198,494 0.275,496 0.495,501 0.583,502 1.076,503 0.703,504 0.945,505 0.527,506 0.858,507 0.472,508 0.948,509 0.534,510 0.827,511 0.51,512 0.721,513 0.68,514 1.32,515 0.964,516 1.291,517 0.741,518 1.216,519 0.845,520 0.889,521 0.992,522 0.946,523 0.732,524 0.976,525 0.911,526 1.487,527 1.179,528 1.603,529 0.928,530 1.49,531 2.413,532 0.311,533 1.541,534 0.362,535 2.432,536 0.684,537 2.928,539 1.543,540 0.015,541 3.155,542 0.413,549 3.5,551 2,552 1.639,553 0.964,554 0.278,559 875,560 2808,561 1.948,562 40.9,563 6,564 2,567 1,572 1.493,573 1.733,574 2.33,575 -0.202,579 1,582 34.359,583 1.562,584 3.3,585 3.573,586 3.754,587 4.027,588 4.027,589 1.738,590 3.393,591 3.677,592 2.32,593 180.978,594 6.128,595 1335.98,597 1,600 98.107,601 1.526,602 3.574,603 0.25,605 0.095,606 0.082,607 0.069,608 0.035,613 0.531,614 1,615 1,616 0.808,617 45.459,618 -0.048,619 0.022,620 0.013,621 0.047,622 -0.061,623 0.048,624 0.153,625 0.08,626 0.296,627 0.165,628 0.07,629 0.238,630 0.232,631 -0.318,632 -0.135,633 -0.333,634 0.177,635 -0.325,636 -0.078,637 0.08,638 -0.025,639 0.001,640 -0.023,641 0.011,643 -0.628,644 -0.208,645 -0.649,646 0.03,647 -0.511,648 -0.579,649 0.505,650 -0.223,651 0.518,652 -0.51,653 0.284,654 -0.715,655 0.704,656 -0.108,657 0.893,658 -0.726,659 0.585,666 2.191,667 4.289,668 0.692,669 5.124,670 1.013,671 1.117,672 1.594,673 2.542,674 0.68,675 2.708,676 3.091,677 3.367,678 3.638,679 3.784,680 3.689,681 3.497,682 3.367,683 2.565,684 1.099,685 3.076,686 0.662,687 175.2,688 2.708,689 4.263,690 5.13,691 6.038,692 6.929,693 7.837,694 8.734,695 9.642,696 10.541,697 11.448,698 4.5,705 1,715 2,720 4,722 6,727 1,741 22,743 8,744 1,745 14,747 23,748 10,749 6,750 4,751 2,752 2,756 2,757 3,763 2,772 8,773 2,777 2,782 2,786 2,793 9,794 3,795 1,796 3,802 1,808 0.5,809 2,828 1,829 1,832 1,843 1,859 1,864 2,868 13,877 1,893 9.1,896 2,901 7.5,902 4.75,903 2.778,904 1.292,907 1.53,908 1.273,909 0.978,910 1.572,911 7.128,912 2.996,913 3.624,914 4.193,915 4.715,916 5.214,917 5.32,918 5.393,919 5.437,920 4.815,921 3.841,922 1,923 20,924 4.806,925 -0.003,926 2.097,927 0.026,929 8.154,931 8.864,932 -0.001,933 7.252,934 0.001,936 2.654,937 34.5,938 0.005,941 94.169,942 58.755,943 18.011,945 50.29,948 58.755,949 144.459,950 18.011,951 17.65,952 18.011,953 18.952,954 60.128,955 12.313,957 94.169,959 94.169,960 76.765,961 50.29,964 94.169,965 50.29,968 35.661,969 41.104,972 94.169,973 68.301,974 58.755,977 94.169,978 22.152,979 36.603,980 18.011,981 50.29,982 94.169,983 68.301,984 58.755,986 0.607,987 0.364,988 0.195,989 0.106,990 12,991 6,994 1,995 1.222,996 2.382,997 83.02,998 0.222,999 9,1000 48.106,1005 8.145,1006 2.509,1007 1.089,1009 68.301,1010 3.681,1015 3.11,1017 18.011,1018 221.224,1019 19,1024 22.323,1028 -0.953,1031 22.291,1032 24.578,1034 0.35,1035 0.74,1036 0.801,1037 0.842,1038 0.903,1039 0.903,1040 4.256,1041 -0.669,1042 5.176,1043 -1.188,1044 3.761,1045 4.304,1046 1.176,1047 6.052,1048 3.77,1049 5.51,1050 -1,1051 6.79,1052 -1.691,1053 3.611,1054 4.369,1056 7.06,1057 3.64,1058 6.856,1059 -1.41,1060 8.5,1061 -2.557,1062 5.425,1063 6.533,1064 1.255,1065 10.189,1066 5.438,1067 8.234,1068 -1.516,1069 10.26,1070 -4.067,1071 6.019,1072 7.325,1074 12,1075 6.051,1076 9.64,1077 -1.79,1078 12.053,1079 -4.197,1080 7.405,1081 9.057,1082 1.338,1083 14.675,1084 7.424,1085 11.066,1086 -1.917,1087 13.869,1088 -5.777,1089 8.33,1090 10.182,1092 16.834,1093 8.36,1094 12.51,1095 -2,1096 15.703,1097 -6.435,1098 9.567,1099 11.748,1100 1.422,1101 19.342,1102 9.59,1103 3.229,1105 17.552,1106 -7.254,1107 10.634,1108 13.032,1110 21.647,1111 10.662,1112 2.479,1113 11.077,1114 19.412,1116 11.821,1117 14.529,1118 1.51,1119 24.092,1120 11.846,1121 2.087,1122 7.541,1123 21.282,1124 4.224,1125 12.947,1126 15.89,1128 26.457,1129 12.975,1130 1.711,1131 5.999,1132 23.16,1133 3.262,1134 14.12,1135 17.356,1136 1.599,1137 28.877,1138 14.146,1139 1.134,1140 5.144,1141 25.044,1142 2.735,1143 15.272,1144 18.756,1146 31.265,1147 15.299,1148 0.133,1149 3.087,1150 26.934,1151 2.312,1152 16.441,1153 20.208,1154 1.69,1155 33.676,1156 16.468,1157 -0.472,1158 0.317,1159 28.827,1160 1.443,1161 17.604,1162 21.628,1164 36.074,1165 17.631,1166 963,1167 1794,1168 8.671,1169 14.96,1170 22.109,1171 23.946,1172 23.253,1173 21.592,1174 21.548,1175 28.328,1176 2.117,1177 66.33,1178 21.684,1179 5.39,1180 5.893,1181 5.785,1182 5.231,1183 5.229,1184 7.224,1185 2.117,1186 18.331,1187 5.234,1188 7.434,1189 1.579,1190 1.71,1191 1.661,1192 1.542,1193 1.539,1194 2.023,1195 0.151,1196 4.738,1197 1.549,1198 4.028,1199 4.048,1200 3.994,1201 3.949,1202 7.499,1203 3.955,1204 3.516,1205 3.54,1206 3.457,1207 3.329,1208 7.352,1209 3.358,1210 3.263,1211 3.342,1212 3.084,1213 3.12,1214 4.707,1215 3.1,1216 2.867,1217 2.942,1218 2.722,1219 2.641,1220 4.03,1221 2.645,1222 2.698,1223 2.764,1224 2.539,1225 2.391,1226 3.853,1227 2.395,1228 2.465,1229 2.531,1230 2.242,1231 2.223,1232 3.437,1233 2.232,1234 2.314,1235 2.334,1236 2.137,1237 1.982,1238 3.202,1239 2.027,1240 1.734,1241 1.826,1242 1.48,1243 1.23,1244 2.578,1245 1.284,1246 0.326,1247 0.278,1248 0.485,1249 0.302,1250 0.231,1251 4.569,1252 0.302,1253 3.893,1254 0.076,1255 6.785,1256 0.791,1257 4.231,1258 0.231,1259 3.229,1260 4.224,1261 1.058,1262 11.077,1263 3.234,1264 1.929,1265 1.908,1266 2.035,1267 2.003,1268 1.196,1269 2.015,1270 1.4,1271 1.388,1272 1.642,1273 1.661,1274 0.723,1275 1.613,1276 1.272,1277 1.21,1278 1.448,1279 1.488,1280 0.513,1281 1.511,1282 1.071,1283 0.997,1284 1.339,1285 1.329,1286 0.243,1287 1.35,1288 0.642,1289 0.543,1290 0.981,1291 0.927,1292 0.047,1293 0.95,1294 0.449,1295 0.363,1296 0.787,1297 0.717,1299 0.751,1302 0.195,1303 0.383,1305 0.238,1309 0.104,1311 0.138,1312 3.367,1314 4.727,1315 2.398,1316 6.279,1317 4.844,1318 7.92,1319 7.018,1320 9.612,1322 3.786,1329 2.554,1340 14.558,1341 34.359,1342 72.598,1343 78.598,1344 82.598,1345 88.598,1346 88.598,1347 20.818,1348 5.598,1349 49.93,1350 49.93,1351 11,1352 11.966,1353 3.17,1354 2.585,1355 18.968,1356 25,1357 19,1358 0.441,1359 92.057,1360 161.32,1361 216.379,1362 1313,1364 9.585,1365 0.737,1366 0.575,1367 9.585,1368 7.471,1369 6.092,1370 0.435,1371 0.29,1372 4.018,1373 5.904,1374 3.826,1375 3.217,1376 6.092,1377 4.063,1378 5.954,1379 0.284,1380 0.157,1381 5.954,1382 3.288,1383 4.946,1384 0.177,1385 0.077,1386 4.946,1387 2.169,1388 4.045,1389 0.109,1390 0.043,1391 4.045,1392 1.605,1393 3.127,1394 0.073,1395 0.022,1396 3.127,1397 0.938,1398 0.616,1399 38.116,1400 0.34,1401 12.519,1402 1.451,1403 70,1404 229.804,1405 76.372,1406 221.742,1407 294.26,1408 204,1409 84,1410 209.526,1411 90.816,1412 214.524,1413 314.82,1414 200,1415 4}
{0 CHEMBL333909,1 1.313,2 11.8,3 3.659,4 13.385,5 102.545,6 6.559,7 0.429,8 4.003,9 4.133,10 3.482,11 3.586,12 4.934,13 3.53,14 4.599,15 4.793,16 3.819,17 4.015,18 5.455,19 3.926,20 4.904,21 5.142,22 3.83,23 4.169,24 5.691,25 4.026,26 5.009,27 5.292,28 3.649,29 4.094,30 5.764,31 3.911,32 4.876,33 5.173,34 3.53,35 3.962,36 5.59,37 3.787,38 4.734,39 4.998,40 3.489,41 3.938,42 5.466,43 3.766,44 4.751,45 5.028,46 3.393,47 3.887,48 5.485,49 3.695,50 4.588,51 4.874,52 3.245,53 3.7,54 5.349,55 3.516,56 0.048,57 0.715,58 11.825,59 5.05,60 6.275,61 7.107,62 0.21,63 1.246,64 22.305,65 8.431,66 15.983,67 12.265,68 0.185,69 1.566,70 30.418,71 12.102,72 20.636,73 17.377,74 0.285,75 1.631,76 34.574,77 12.833,78 37.591,79 18.599,80 0.273,81 1.427,82 30.377,83 11.026,84 33.02,85 16.14,86 0.215,87 1.275,88 25.874,89 10.266,90 21.17,91 14.679,92 0.184,93 1.239,94 26.36,95 10.669,96 26.095,97 15.144,98 0.244,99 1.064,100 22.66,101 8.514,102 28.271,103 12.337,104 2,105 38,106 0.221,107 0.493,108 0.657,109 0.769,110 0.828,111 0.837,112 3.266,113 1.01,114 -5,115 -4.9,116 -4.59,121 43.1,123 3,124 1,127 5,144 9,145 3,160 1,176 15,179 1,180 7,187 15,192 8,200 6,206 10,214 4,219 3,227 9,231 1,232 2,239 15,251 12,255 1,256 3,264 7,269 4,277 1,281 893,282 17.361,283 17.361,284 17.361,285 17.361,286 17.361,287 15.791,288 20.492,289 10.467,290 17.549,291 13.855,292 13.855,293 13.855,294 13.855,295 13.855,296 11.543,297 26.493,298 5.027,299 14.14,300 4.359,301 2.746,302 1.778,303 1.11,304 0.76,305 0.706,306 3.97,310 1,311 1,312 1,313 656,314 2.55,317 56.892,318 244.519,321 110.738,325 2,326 13.739,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 52,338 295,339 4.447,340 3.767,341 6.681,342 4.15,343 3.164,344 4.004,345 1.23,346 10.73,347 3.119,348 3.941,349 3.018,350 5.62,351 3.689,352 2.726,353 3.457,354 0.916,355 7.791,356 2.634,357 3.622,358 2.679,359 5.523,360 3.475,361 2.479,362 2.782,363 0.521,364 7.086,365 2.471,366 3.502,367 2.573,368 5.318,369 3.181,370 2.217,371 2.626,372 0.172,373 6.74,374 2.134,375 3.178,376 2.334,377 4.955,378 3.006,379 2.045,380 2.25,382 5.853,383 1.956,384 2.99,385 2.133,386 4.807,387 2.707,388 1.712,389 2.119,391 5.052,392 1.693,393 2.835,394 1.528,395 3.656,396 2.422,397 1.426,398 1.952,400 3.052,401 1.42,402 2.783,403 1.497,404 3.593,405 2.378,406 1.385,407 1.867,409 3.003,410 1.373,411 2.5,412 1.312,413 3.497,414 2,415 1,416 1.5,418 2.275,419 1,420 2.343,421 1.077,422 3.414,423 1.984,424 1,425 1.185,427 2.136,428 0.983,429 2,430 1,431 3.247,432 1.899,433 0.878,434 1,436 2.105,437 0.89,438 1.696,439 0.75,440 3.17,441 1.584,442 0.597,443 0.652,445 1.438,446 0.588,447 1.244,448 0.362,449 2.811,450 1.066,451 0.094,452 0.103,454 0.238,455 0.091,456 1.036,457 0.232,458 2.454,459 0.697,460 -0.32,461 -0.383,463 -0.782,464 -0.321,465 0.686,466 -0.32,467 2.177,468 0.421,469 -0.59,470 -0.71,472 -1.315,473 -0.595,474 12.133,475 0.485,476 0.465,477 0.019,478 29.25,479 1.17,480 13.5,481 0.54,482 15.75,483 0.63,484 21.863,485 0.875,486 26.867,487 0.527,488 18.259,489 0.73,490 5.541,491 0.222,492 6.752,493 0.27,494 0.027,496 0.272,501 0.697,502 1.328,503 0.892,504 1.115,505 0.509,506 1.032,507 0.992,508 1.075,509 1.059,510 0.999,511 0.562,512 1.015,513 0.867,514 1.177,515 1.061,516 1.163,517 0.711,518 1.129,519 1.235,520 1.042,521 1.036,522 1.01,523 1.23,524 1.01,525 1.239,526 0.815,527 0.945,528 0.81,529 1.125,530 0.843,531 0.951,532 0.919,533 1.074,534 1.024,535 0.953,536 1.052,537 0.973,538 1.016,539 1.002,540 1.051,541 1.266,542 1.042,543 1.102,544 0.891,545 0.998,546 0.902,547 1.273,548 0.939,549 4,550 0.078,551 2.222,552 1.576,553 0.956,554 0.382,555 0.407,556 0.286,557 0.08,558 0.111,559 8705,560 17622,561 2.179,562 51,563 1,564 19,569 6,572 1.671,573 2.113,574 3.521,575 -0.869,577 1,582 66.975,583 1.313,584 2.926,585 3.895,586 4.562,587 4.913,588 4.967,589 2.939,590 4.324,591 4.617,592 3.707,593 1112,594 7.937,595 14158.9,597 1,599 1,600 289.294,601 1.078,602 4.606,603 0.143,604 0.006,605 0.058,606 0.044,607 0.034,608 0.015,609 0.016,610 0.013,611 0.004,612 0.007,613 0.34,614 0.5,615 1,616 0.372,617 123.553,618 0.048,619 -0.157,620 0.076,621 -0.033,622 0.032,623 0.012,624 0.009,625 0.069,626 -0.066,627 -0.001,628 0.027,629 -0.03,630 -0.003,631 -0.16,632 -0.09,633 -0.166,634 0.047,635 -0.138,636 -0.059,637 -0.094,638 -0.041,639 -0.06,640 -0.02,641 -0.052,642 -0.088,643 0.139,644 0.053,645 0.126,646 -0.046,647 0.107,648 -0.04,649 0.061,650 -0.101,651 -0.043,652 -0.08,653 -0.07,654 -0.019,655 -0.103,656 -0.032,657 -0.063,658 -0.09,659 -0.054,660 0.029,661 0.053,662 -0.007,663 0.052,664 -0.086,665 0.022,666 1.447,667 5.442,668 0.84,669 24.326,670 0.983,671 1.121,672 3.768,673 14.197,674 0.659,675 3.367,676 3.664,677 3.932,678 4.174,679 4.369,680 4.317,681 4.419,682 4.543,683 4.522,684 4.585,685 7.026,686 0.609,687 334.5,688 3.367,689 4.89,690 5.733,691 6.594,692 7.452,693 8.318,694 9.182,695 10.052,696 10.92,697 11.792,698 3.9,701 1,705 1,715 9,720 3,722 12,730 1,741 51,743 13,744 2,745 28,747 54,748 22,749 12,750 3,751 9,752 1,756 4,757 5,767 2,768 1,770 3,772 13,773 9,774 1,777 1,782 1,786 1,789 1,790 1,793 26,794 3,796 3,802 2,808 0.75,809 1,828 1,829 3,832 1,855 1,859 3,868 25,876 8,880 1,881 2,893 2,896 1,901 11.833,902 8.9,903 5.5,904 3.328,907 2.096,908 1.283,909 0.997,910 4.959,911 9.494,912 3.584,913 4.078,914 4.57,915 5.034,916 5.465,917 5.373,918 5.596,919 5.782,920 5.727,921 5.762,922 0.875,923 36,924 9.318,926 3.969,927 0.026,929 7.46,931 18.653,933 16.004,936 1.96,937 49,938 0.001,939 1,940 1,941 306.049,942 117.68,943 6.249,945 25.145,948 117.68,949 331.194,950 6.249,952 21.256,953 85.286,954 29.85,955 12.681,957 306.049,959 306.049,960 123.928,961 25.145,964 235.422,965 95.772,968 24.381,969 99.548,972 306.049,973 31.394,974 117.68,977 306.049,978 32.393,979 91.535,981 25.145,982 306.049,983 31.394,984 117.68,986 0.574,987 0.335,988 0.182,989 0.099,990 19,991 7,992 0.093,993 5,994 1,995 1.095,996 3.953,997 200.647,998 0.095,999 21,1000 108.096,1005 16.504,1006 7.511,1007 3.835,1009 31.394,1010 18.759,1015 3.492,1018 455.122,1019 35,1024 12.442,1028 0.22,1031 50.134,1032 57.188,1034 0.232,1035 0.516,1036 0.687,1037 0.804,1038 0.866,1039 0.876,1040 4.812,1041 1.385,1042 5.687,1043 3.052,1044 4.344,1045 4.762,1046 1.78,1047 6.454,1048 4.305,1049 5.955,1050 1,1051 7.212,1052 3.003,1053 3.761,1054 4.27,1055 0.57,1056 7.244,1057 3.695,1058 7.217,1059 1,1060 8.837,1061 2.275,1062 5.889,1063 6.769,1064 1.789,1065 10.351,1066 5.808,1067 8.511,1068 0.878,1069 10.524,1070 2.136,1071 6.176,1072 7.134,1073 0.947,1074 12.038,1075 6.074,1076 9.843,1077 0.597,1078 12.254,1079 2.105,1080 7.724,1081 9.093,1082 1.957,1083 14.646,1084 7.606,1085 11.2,1086 0.094,1087 14.013,1088 1.438,1089 8.438,1090 9.898,1091 1.304,1092 16.725,1093 8.306,1094 12.58,1095 -0.32,1096 15.796,1097 0.238,1098 9.737,1099 11.599,1100 2.203,1101 19.171,1102 9.589,1103 3.164,1104 -0.59,1105 17.598,1106 -0.782,1107 10.669,1108 12.646,1109 1.686,1110 21.422,1111 10.508,1112 2.726,1113 10.73,1114 19.415,1115 -1.315,1116 11.863,1117 14.208,1118 2.493,1119 23.816,1120 11.687,1121 2.479,1122 7.791,1123 21.244,1124 4.004,1125 12.901,1126 15.394,1127 2.095,1128 26.138,1129 12.713,1130 2.217,1131 7.086,1132 23.085,1133 3.457,1134 14.055,1135 16.877,1136 2.815,1137 28.517,1138 13.853,1139 2.045,1140 6.74,1141 24.935,1142 2.782,1143 15.147,1144 18.144,1145 2.52,1146 30.868,1147 14.932,1148 1.712,1149 5.853,1150 26.793,1151 2.626,1152 16.288,1153 19.583,1154 3.158,1155 33.242,1156 16.06,1157 1.426,1158 5.052,1159 28.658,1160 2.25,1161 17.405,1162 20.897,1163 2.952,1164 35.605,1165 17.164,1166 8039,1167 11531,1168 19.474,1169 33.603,1170 41.674,1171 42.366,1172 42.014,1173 41.455,1174 41.445,1175 50.992,1176 5.681,1177 114.998,1178 40.699,1179 5.447,1180 5.767,1181 6.483,1182 5.186,1183 5.164,1184 7.004,1185 2.335,1186 17.72,1187 5.119,1188 6.288,1189 1.488,1190 1.513,1191 1.501,1192 1.481,1193 1.48,1194 1.821,1195 0.203,1196 4.107,1197 1.454,1198 4.029,1199 4.066,1200 3.971,1201 3.939,1202 7.428,1203 3.941,1204 3.941,1205 3.981,1206 3.86,1207 3.862,1208 4.76,1209 3.856,1210 3.818,1211 3.865,1212 3.702,1213 3.717,1214 4.716,1215 3.706,1216 3.517,1217 3.585,1218 3.402,1219 3.335,1220 4.326,1221 3.341,1222 3.288,1223 3.354,1224 3.162,1225 3.118,1226 4.061,1227 3.119,1228 3.111,1229 3.206,1230 2.901,1231 2.941,1232 3.811,1233 2.91,1234 3.061,1235 3.134,1236 2.866,1237 2.92,1238 3.674,1239 2.901,1240 2.986,1241 3.028,1242 2.843,1243 2.845,1244 3.642,1245 2.841,1246 0.159,1247 0.135,1248 0.239,1249 0.148,1250 0.113,1251 4.447,1252 0.143,1253 3.767,1254 0.044,1255 6.681,1256 0.383,1257 4.15,1258 0.111,1259 3.164,1260 4.004,1261 1.23,1262 10.73,1263 3.119,1264 1.934,1265 1.896,1266 2.1,1267 2.068,1268 1.483,1269 2.082,1270 1.891,1271 1.869,1272 2.015,1273 1.962,1274 1.174,1275 1.979,1276 1.84,1277 1.791,1278 2,1279 1.956,1280 1.141,1281 1.974,1282 1.534,1283 1.466,1284 1.758,1285 1.775,1286 1.024,1287 1.771,1288 1.262,1289 1.196,1290 1.513,1291 1.486,1292 0.825,1293 1.497,1294 1.153,1295 1.064,1296 1.507,1297 1.376,1298 0.743,1299 1.429,1300 1.073,1301 1.003,1302 1.39,1303 1.273,1304 0.618,1305 1.318,1306 1.026,1307 0.995,1308 1.198,1309 1.213,1310 0.386,1311 1.208,1312 4.043,1314 5.342,1315 2.398,1316 6.838,1317 4.844,1318 8.416,1319 7.018,1320 10.035,1328 8.746,1332 0.753,1333 4.587,1340 31.079,1341 66.975,1342 149.238,1343 198.625,1344 232.665,1345 250.539,1346 253.294,1347 35.158,1348 7.398,1349 23.55,1350 23.55,1351 23,1352 12.335,1353 3.807,1354 3,1355 36.303,1356 107,1357 96,1358 0.164,1359 189.321,1360 330.23,1361 453.704,1362 17898,1364 17.062,1365 0.682,1366 0.589,1367 17.062,1368 14.733,1369 12.293,1370 0.439,1371 0.337,1372 9.354,1373 12.03,1374 9.142,1375 7.55,1376 12.293,1377 9.429,1378 10.767,1379 0.283,1380 0.194,1381 10.767,1382 7.378,1383 9.296,1384 0.186,1385 0.113,1386 9.296,1387 5.66,1388 7.655,1389 0.12,1390 0.064,1391 7.655,1392 4.108,1393 6.24,1394 0.08,1395 0.039,1396 6.24,1397 3.053,1398 0.266,1399 75.522,1400 0.227,1401 24.92,1402 0.425,1403 132,1404 291.026,1405 138.71,1406 288.265,1407 399.23,1408 272,1409 154,1410 291.566,1411 161.988,1412 300.345,1413 439.16,1414 283,1415 7.009}
{0 CHEMBL334255,1 1.046,2 14.773,3 7.585,4 57.529,5 98.683,6 5.077,7 0.273,8 4.082,9 4.245,10 3.284,11 3.593,12 4.816,13 3.475,14 4.699,15 4.946,16 3.428,17 3.965,18 5.302,19 3.773,20 5.025,21 5.351,22 3.373,23 4.074,24 5.503,25 3.82,26 4.983,27 5.316,28 3.248,29 4.01,30 5.435,31 3.74,32 4.923,33 5.258,34 3.186,35 3.946,36 5.368,37 3.675,38 4.86,39 5.195,40 3.128,41 3.884,42 5.31,43 3.614,44 4.794,45 5.128,46 3.067,47 3.819,48 5.247,49 3.549,50 4.722,51 5.056,52 3.001,53 3.748,54 5.18,55 3.48,56 0.073,57 0.785,58 15.048,59 6.389,60 8.116,61 9.287,62 0.129,63 1.241,64 24.513,65 10.174,66 12.402,67 14.906,68 0.15,69 1.464,70 29.644,71 12.522,72 14.413,73 18.225,74 0.135,75 1.376,76 27.905,77 12.014,78 12.509,79 17.364,80 0.124,81 1.287,82 26.114,83 11.313,84 11.589,85 16.314,86 0.117,87 1.21,88 24.54,89 10.607,90 11.038,91 15.309,92 0.111,93 1.132,94 22.966,95 9.901,96 10.488,97 14.304,98 0.104,99 1.054,100 21.392,101 9.195,102 9.938,103 13.298,104 17,105 23,106 0.175,107 0.324,108 0.444,109 0.536,110 0.617,111 0.692,112 3.142,113 1.36,114 -7.07,115 -6.87,116 -6.36,121 35,122 1,123 14,127 1,144 3,147 2,176 16,187 14,189 3,200 12,203 2,214 13,216 1,227 13,229 1,239 12,241 1,251 11,253 1,264 10,266 1,277 9,279 1,281 804,282 15.46,283 15.46,284 15.46,285 15.46,286 15.46,287 14.709,288 4.743,289 10.687,290 15.576,291 10.932,292 10.932,293 10.932,294 10.932,295 10.932,296 9.888,297 2.5,298 5.217,299 11.118,300 4.861,301 3.969,302 3.252,303 2.7,304 2.22,305 1.771,306 3.8,312 1,313 647,314 3.937,318 93.446,325 2.521,326 2.474,329 0.75,330 0.67,331 0.67,332 0.6,333 0.5,334 0.67,335 0.5,336 0.62,337 44.5,338 325,339 3.896,340 2.628,341 5.34,342 3.451,343 2.522,344 3.444,346 6.965,347 2.344,348 2.983,349 1.962,350 3.962,351 2.962,352 1.962,353 2.121,355 3.92,356 1.961,357 2.94,358 1.853,359 3.853,360 2.851,361 1.852,362 1.958,364 3.69,365 1.851,366 2.832,367 1.694,368 3.707,369 2.686,370 1.688,371 1.841,373 3.364,374 1.685,375 2.655,376 1.554,377 3.577,378 2.52,379 1.528,380 1.658,382 3.095,383 1.515,384 2.5,385 1.373,386 3.373,387 2.356,388 1.364,389 1.5,391 2.702,392 1.351,393 2.419,394 1.102,395 3.247,396 2.097,397 1.101,398 1.417,400 2.136,401 1.095,402 2.134,403 1,404 3.099,405 1.984,406 1,407 1.128,409 2.132,410 0.983,411 1.814,412 0.786,413 2.794,414 1.78,415 0.785,416 0.802,418 1.488,419 0.781,420 1.473,421 0.45,422 2.469,423 1.436,424 0.441,425 0.451,427 0.82,428 0.438,429 1.133,430 0.11,431 2.125,432 1.08,433 0.088,434 0.09,436 0.162,437 0.087,438 0.833,439 -0.219,440 1.768,441 0.735,442 -0.256,443 -0.265,445 -0.479,446 -0.253,447 0.578,448 -0.528,449 1.555,450 0.428,451 -0.563,452 -0.598,454 -1.083,455 -0.557,456 0.5,457 -0.818,458 1.416,459 0.17,460 -0.826,461 -0.897,463 -1.597,464 -0.823,465 0.288,466 -1,467 1.12,468 -0.049,469 -1,470 -1.169,472 -2.116,473 -0.946,474 10.9,475 0.495,476 0.068,477 0.003,478 16.75,479 0.761,480 5,481 0.227,482 11.75,483 0.534,484 25.158,485 1.144,486 27.2,487 0.453,488 6.011,489 0.273,490 2.027,491 0.092,492 8.905,493 0.405,494 0.046,496 0.037,501 1.201,502 1.532,503 1.32,504 1.421,505 1.086,506 1.383,507 1.54,508 1.387,509 1.361,510 1.353,511 1.062,512 1.351,513 1.043,514 0.977,515 0.983,516 0.974,517 0.848,518 0.976,519 0.904,520 0.959,521 0.975,522 0.976,523 0.848,524 0.978,525 0.805,526 0.944,527 0.945,528 0.96,529 0.796,530 0.958,531 0.823,532 0.945,533 0.946,534 0.959,535 0.819,536 0.957,537 0.844,538 0.946,539 0.948,540 0.958,541 0.844,542 0.957,543 0.867,544 0.947,545 0.949,546 0.957,547 0.874,548 0.957,549 1,550 0.021,551 0.444,552 0.188,553 0.151,554 0.09,555 0.06,556 0.043,557 0.033,558 0.026,559 6492,560 8451,561 1.974,562 63.3,563 29,564 5,566 2,569 2,572 1.629,573 1.941,574 3.865,575 -0.941,582 62.754,583 1.046,584 1.938,585 2.655,586 3.207,587 3.687,588 4.136,589 3.3,590 3.732,591 4.429,592 4.037,593 932.461,594 7.529,595 12550.6,600 354.413,601 0.53,602 4.442,603 0.045,604 0.002,605 0.019,606 0.009,607 0.008,608 0.005,609 0.004,610 0.003,611 0.002,612 0.002,613 0.1,614 0.5,615 0.75,616 3.446,617 110.004,618 0.13,619 -0.131,620 0.016,621 -0.058,622 0.198,623 -0.031,624 -0.135,625 -0.196,626 -0.198,627 -0.204,628 -0.007,629 -0.203,630 -0.015,632 -0.004,633 -0.001,634 0.036,635 -0.002,636 -0.028,637 -0.005,638 -0.019,639 -0.012,640 -0.031,641 -0.014,642 0.002,643 0.001,644 0.003,645 0.002,646 -0.002,647 0.003,648 0.001,649 0.001,650 0.003,651 0.002,652 -0.005,653 0.003,655 0.001,656 0.003,657 0.002,658 -0.009,659 0.002,660 -0.001,661 0.001,662 0.002,663 0.002,664 -0.013,665 0.002,666 0.321,667 0.292,668 0.273,669 27.14,670 0.966,671 1.136,672 5.842,673 34.133,674 0.602,675 3.135,676 3.178,677 3.219,678 3.258,679 3.296,680 3.091,681 3.045,682 2.996,683 2.944,684 2.89,685 8.635,686 0.529,687 304.6,688 3.135,689 4.511,690 5.22,691 5.943,692 6.666,693 7.397,694 8.127,695 8.864,696 9.6,697 10.342,698 1.7,708 1,715 5,721 1,722 6,741 60,743 6,745 22,747 60,748 21,749 5,756 1,757 1,763 1,770 14,772 5,773 16,793 38,796 1,802 1,803 1,808 1,822 1,829 1,859 1,864 1,868 22,876 15,901 11.333,902 10.417,903 5.5,904 4.736,907 0.959,908 1.164,909 0.904,910 13.39,911 6.814,912 3.258,913 3.481,914 3.755,915 4.071,916 4.418,917 3.943,918 3.923,919 3.903,920 3.883,921 3.862,922 0.9,923 21,924 8.23,926 3.08,927 0.026,929 7.159,931 17.197,933 13.488,936 1.659,937 36.5,938 0.004,941 447.302,942 92.938,943 1.899,948 92.938,949 447.302,950 1.899,951 8.825,952 37.589,953 28.429,954 25.441,955 18.095,957 423.76,959 447.302,960 94.837,964 423.76,965 23.542,968 64.509,969 28.429,970 1.899,972 447.302,973 1.899,974 92.938,977 447.302,978 37.589,979 57.248,982 447.302,983 1.899,984 92.938,986 0.506,987 0.261,988 0.132,989 0.067,990 4,991 1,992 0.25,993 15,995 1,996 3.895,997 125.549,999 6,1000 88.107,1005 19.359,1006 15.217,1007 12.567,1010 10.653,1016 2.292,1018 542.139,1019 25,1031 57.948,1032 68.18,1034 0.177,1035 0.328,1036 0.449,1037 0.543,1038 0.624,1039 0.7,1040 4.337,1041 1,1042 4.99,1043 2.136,1044 3.85,1045 4.159,1047 5.407,1048 3.812,1049 5.31,1050 0.785,1051 6.279,1052 2.132,1053 1.946,1054 2.674,1056 5.094,1057 1.682,1058 6.419,1059 0.441,1060 7.653,1061 1.488,1062 5.043,1063 5.867,1065 8.457,1066 4.941,1067 7.561,1068 0.088,1069 9.091,1070 0.82,1071 4.111,1072 5.493,1074 9.405,1075 3.648,1076 8.749,1077 -0.256,1078 10.581,1079 0.162,1080 6.444,1081 7.957,1083 11.937,1084 6.243,1085 9.972,1086 -0.563,1087 12.115,1088 -0.479,1089 6.168,1090 8.179,1092 13.454,1093 5.562,1094 11.224,1095 -0.826,1096 13.683,1097 -1.083,1098 7.98,1099 10.243,1101 15.648,1102 7.646,1103 2.522,1104 -1,1105 15.279,1106 -1.597,1107 8.139,1108 10.79,1110 17.408,1111 7.402,1112 1.962,1113 6.965,1114 16.897,1115 -2.116,1116 9.617,1117 12.614,1119 19.46,1120 9.12,1121 1.852,1122 3.92,1123 18.531,1124 3.444,1125 10.062,1126 13.356,1128 21.323,1129 9.194,1130 1.688,1131 3.69,1132 20.176,1133 2.121,1134 11.327,1135 15.023,1137 23.313,1138 10.652,1139 1.528,1140 3.364,1141 21.83,1142 1.958,1143 11.955,1144 15.895,1146 25.219,1147 10.955,1148 1.364,1149 3.095,1150 23.49,1151 1.841,1152 13.089,1153 17.452,1155 27.183,1156 12.228,1157 1.101,1158 2.702,1159 25.155,1160 1.658,1161 13.832,1162 18.416,1164 29.108,1165 12.697,1166 6680,1167 7728,1168 14.962,1169 36.092,1170 28.569,1171 28.622,1172 29.093,1173 28.707,1174 28.66,1175 32.823,1177 60.945,1178 28.184,1179 4.869,1180 4.628,1181 5.33,1182 4.486,1183 4.522,1184 6.444,1186 11.754,1187 4.314,1188 6.713,1189 1.299,1190 1.301,1191 1.322,1192 1.305,1193 1.303,1194 1.492,1196 2.77,1197 1.281,1198 3.962,1199 4.019,1200 3.878,1201 3.823,1202 4.801,1203 3.828,1204 3.829,1205 3.893,1206 3.667,1207 3.712,1208 4.259,1209 3.694,1210 3.732,1211 3.798,1212 3.561,1213 3.613,1214 4.171,1215 3.592,1216 3.62,1217 3.691,1218 3.438,1219 3.494,1220 4.072,1221 3.471,1222 3.475,1223 3.552,1224 3.278,1225 3.336,1226 3.941,1227 3.312,1228 3.308,1229 3.394,1230 3.095,1231 3.151,1232 3.79,1233 3.126,1234 3.129,1235 3.223,1236 2.901,1237 2.949,1238 3.674,1239 2.923,1240 2.946,1241 3.05,1242 2.701,1243 2.743,1244 3.617,1245 2.718,1246 0.177,1247 0.119,1248 0.243,1249 0.157,1250 0.115,1251 3.896,1252 0.157,1253 2.628,1255 5.34,1256 0.317,1257 3.451,1258 0.107,1259 2.522,1260 3.444,1262 6.965,1263 2.344,1264 1.908,1265 1.857,1266 2.091,1267 2.075,1268 1.453,1269 2.076,1270 1.833,1271 1.774,1272 2.059,1273 1.985,1274 1.389,1275 2.019,1276 1.76,1277 1.698,1278 2.004,1279 1.918,1280 1.289,1281 1.954,1282 1.651,1283 1.584,1284 1.919,1285 1.818,1286 1.166,1287 1.857,1288 1.509,1289 1.436,1290 1.805,1291 1.691,1292 1.044,1293 1.735,1294 1.343,1295 1.262,1296 1.669,1297 1.546,1298 0.924,1299 1.593,1300 1.162,1301 1.071,1302 1.519,1303 1.389,1304 0.775,1305 1.439,1306 0.977,1307 0.876,1308 1.367,1309 1.23,1310 0.611,1311 1.282,1312 3.807,1314 4.92,1316 6.192,1318 7.544,1320 8.942,1322 2.292,1328 21.263,1340 31.767,1341 62.754,1342 116.281,1343 159.278,1344 192.4,1345 221.22,1346 248.149,1347 47.209,1348 5.855,1349 3.88,1350 3.88,1351 6,1352 10.991,1353 2.807,1354 2,1355 59.03,1356 115,1357 110,1358 0.236,1359 204.292,1360 353,1361 490.233,1362 2746,1364 15.719,1365 0.715,1366 0.682,1367 15.719,1368 14.993,1369 10.932,1370 0.497,1371 0.453,1372 9.94,1373 10.825,1374 9.705,1375 8.289,1376 10.932,1377 9.971,1378 7.889,1379 0.343,1380 0.297,1381 7.889,1382 6.832,1383 5.691,1384 0.237,1385 0.194,1386 5.691,1387 4.662,1388 4.103,1389 0.164,1390 0.127,1391 4.103,1392 3.168,1393 2.958,1394 0.114,1395 0.082,1396 2.958,1397 2.145,1398 0.408,1399 66.203,1400 0.259,1401 23.672,1402 0.556,1403 90,1404 124.333,1405 92.082,1406 128.205,1407 177.67,1408 122,1409 92,1410 128.254,1411 94.498,1412 132.535,1413 184.2,1414 126,1415 5.56}
{0 CHEMBL334395,1 1.806,2 8.476,3 4.022,4 16.178,5 85.709,6 8.549,7 0.5,8 3.723,9 3.844,10 3.458,11 3.29,12 4.834,13 3.231,14 4.239,15 4.435,16 3.837,17 3.632,18 5.324,19 3.55,20 4.357,21 4.541,22 3.897,23 3.722,24 5.529,25 3.609,26 4.431,27 4.658,28 3.797,29 3.583,30 5.613,31 3.517,32 4.198,33 4.389,34 3.742,35 3.581,36 5.298,37 3.505,38 4.293,39 4.467,40 3.694,41 3.639,42 5.444,43 3.516,44 4.235,45 4.403,46 3.522,47 3.575,48 5.378,49 3.457,50 4.402,51 4.651,52 3.399,53 3.593,54 5.337,55 3.391,56 0.049,57 0.586,58 7.03,59 3.481,60 4.772,61 4.342,62 0.327,63 0.905,64 18.302,65 5.748,66 16.837,67 7.356,68 0.223,69 0.955,70 22.25,71 7.39,72 27.376,73 8.931,74 0.521,75 0.974,76 27.281,77 6.34,78 54.534,79 7.396,80 0.224,81 0.901,82 14.088,83 4.58,84 18.881,85 5.657,86 0.364,87 0.926,88 23.999,89 6.563,90 31.653,91 6.929,92 0.237,93 0.796,94 15.957,95 6.023,96 28.581,97 7.269,98 0.275,99 0.824,100 23.351,101 7.786,102 37.016,103 10.084,104 35,105 30,106 0.328,107 0.637,108 0.77,109 0.789,110 0.789,111 0.789,112 3.103,113 1.086,114 -5.23,115 -5.12,116 -4.79,121 36.8,122 1,123 1,126 2,127 1,144 4,145 1,146 1,151 1,161 1,164 1,168 1,176 5,179 5,180 4,187 7,191 2,192 6,200 5,205 2,206 10,214 2,219 7,227 2,232 9,239 3,244 7,251 3,264 5,269 2,277 2,281 541,282 13.853,283 13.853,284 13.853,285 13.853,286 13.853,287 12.479,288 10.536,289 8.292,290 14.449,291 10.788,292 10.788,293 10.788,294 10.788,295 10.788,296 8.587,297 8.43,298 3.881,299 11.806,300 3.442,301 1.74,302 1.007,303 0.902,304 0.902,305 0.902,306 3.757,308 1,310 1,311 1,312 1,313 359,314 3.391,317 62.429,318 72.959,325 1.311,326 19.696,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 45.333,338 178,339 4.499,340 4.446,341 6.632,342 4.077,343 3.149,344 4.184,345 2.95,346 10.578,347 2.929,348 4.085,349 3.712,350 6.091,351 3.706,352 2.742,353 3.633,354 1.678,355 8.783,356 2.636,357 3.708,358 2.998,359 5.48,360 3.28,361 2.38,362 3.046,363 0.527,364 6.73,365 2.115,366 3.448,367 2.86,368 5.026,369 3.039,370 2.164,371 2.672,373 5.998,374 1.834,375 2.798,376 2.581,377 4.373,378 2.495,379 1.602,380 1.885,382 4.008,383 1.407,384 2.617,385 2.006,386 4.242,387 2.215,388 1.289,389 1.642,391 3.598,392 1.173,393 2.5,394 1.731,395 3.414,396 2.11,397 1.18,398 1.5,400 2.396,401 1.075,402 2.36,403 1.276,404 3.391,405 2,406 1,407 1.343,409 2.275,410 1,411 2.065,412 1,413 3.142,414 1.526,415 0.499,416 0.721,418 1.198,419 0.502,420 1.318,421 0.789,422 2.556,423 1.067,424 0.208,425 0.225,427 0.336,428 0.174,429 1.11,430 0.389,431 2.425,432 0.633,433 -0.21,434 -0.262,436 -0.459,437 -0.142,438 0.5,439 0.206,440 2,441 0.111,442 -0.798,443 -0.893,445 -1.629,446 -0.685,447 0.438,448 -0.443,449 1.876,451 -1,452 -1,454 -2,455 -0.873,456 0.191,457 -0.6,458 1.72,459 -0.1,460 -1,461 -1.348,463 -2.93,464 -0.9,466 -0.881,467 1.437,468 -0.199,469 -1.104,470 -1.5,472 -3,473 -1,474 10.481,475 0.499,476 0.562,477 0.027,478 25.5,479 1.214,480 12,481 0.571,482 13.5,483 0.643,484 17.608,485 0.838,486 23.119,487 0.608,488 17.292,489 0.823,490 4.772,491 0.227,492 5.252,493 0.25,494 0.243,496 0.315,501 0.629,502 1.432,503 0.635,504 0.984,505 0.57,506 0.976,507 0.596,508 0.968,509 0.779,510 0.886,511 0.523,512 0.768,513 0.826,514 1.347,515 1.005,516 1.198,517 0.818,518 1.031,519 1.697,520 0.967,521 1.06,522 0.845,523 1.86,524 0.701,525 1.311,526 1.111,527 0.818,528 0.749,529 0.907,530 0.841,531 1.466,532 1.148,533 1.572,534 1.484,535 1.296,536 1.201,537 1.282,538 1.152,539 1.014,540 1.19,541 1.6,542 1.298,543 0.9,544 0.918,545 0.655,546 0.885,547 1.247,548 1.161,549 4.5,550 0.029,551 2.667,552 1.319,553 1.282,554 0.969,555 0.488,556 0.331,557 0.172,558 0.117,559 3725,560 12048,561 1.941,562 44.7,563 3,564 12,569 2,572 1.638,573 1.775,574 3.07,575 -0.657,577 1,582 68.631,583 1.806,584 3.508,585 4.241,586 4.346,587 4.346,588 4.346,589 2.529,590 3.821,591 4.357,592 3.198,593 671.602,594 7.499,595 7147.02,597 1,598 1,599 1,600 199.421,601 1.545,602 4.294,603 0.205,604 0.007,605 0.089,606 0.044,607 0.046,608 0.036,609 0.02,610 0.016,611 0.011,612 0.015,613 0.489,614 0.17,615 1,616 1.557,617 94.158,618 0.048,619 -0.23,620 0.048,621 -0.059,622 -0.043,623 -0.054,624 0.278,625 0.168,626 0.122,627 0.112,628 0.132,629 0.169,630 0.119,631 -0.3,632 0.034,633 -0.127,634 0.151,635 -0.046,636 -0.22,637 0.087,638 -0.035,639 0.127,640 -0.172,641 0.181,642 -0.338,643 0.116,644 -0.055,645 0.137,646 -0.168,647 0.005,648 -0.309,649 0.085,650 -0.414,651 -0.271,652 -0.133,653 -0.277,654 -0.205,655 -0.121,656 -0.246,657 -0.262,658 -0.167,659 -0.366,660 -0.069,661 -0.071,662 0.046,663 -0.029,664 -0.153,665 -0.167,666 1.874,667 5.179,668 0.524,669 17.107,670 1.008,671 1.131,672 3.998,673 15.987,674 0.692,675 3.135,676 3.434,677 3.664,678 3.871,679 4.078,680 4.174,681 4.19,682 4.174,683 4.159,684 3.97,685 5.144,686 0.645,687 324.87,688 3.135,689 4.654,690 5.485,691 6.351,692 7.215,693 8.092,694 8.969,695 9.852,696 10.735,697 11.621,698 10.5,705 1,706 1,708 2,715 4,716 2,720 4,721 1,722 11,740 1,741 38,743 12,744 1,745 22,747 39,748 14,749 8,750 2,751 4,752 1,756 2,757 2,758 1,761 1,763 1,770 1,772 9,773 5,777 1,782 1,786 1,790 1,793 17,794 4,796 7,797 2,802 4,808 1,809 1,828 1,829 1,859 2,860 1,862 1,864 3,865 1,868 21,876 2,879 1,881 1,890 1,892 1,893 2.6,896 1,901 11.833,902 7.86,903 4.778,904 2.31,907 2.072,908 1.326,909 0.938,910 5.536,911 8.42,912 3.384,913 3.946,914 4.512,915 5.049,916 5.507,917 5.829,918 6.116,919 6.412,920 6.735,921 6.757,922 0.833,923 30,924 7.73,926 3.125,927 0.026,929 7.799,931 14.634,933 11.278,936 2.299,937 48.278,941 200.109,942 113.16,943 38.349,944 39.149,945 25.145,947 32.22,948 80.94,949 264.402,950 38.349,951 25.618,952 6.559,953 37.905,954 58.593,955 11.484,956 4.276,957 232.328,958 39.149,959 200.109,960 119.29,961 25.145,962 71.368,964 178.894,965 48.687,968 17.853,969 65.66,970 72.597,971 32.22,972 200.109,973 63.494,974 152.308,977 200.109,978 49.637,979 68.424,981 97.742,982 200.109,983 63.494,984 152.308,986 0.574,987 0.327,988 0.164,989 0.1,990 13,991 7,992 0.103,993 4,995 1,996 3.22,997 153.521,999 11,1000 86.239,1001 1,1005 16.18,1006 7.185,1007 3.921,1009 61.718,1010 7.251,1011 8.81,1015 2.632,1016 1.351,1018 415.911,1019 28.5,1024 12.179,1028 -0.207,1031 38.32,1032 42.973,1034 0.344,1035 0.669,1036 0.808,1037 0.828,1038 0.828,1039 0.828,1040 4.603,1041 1,1042 5.476,1043 2.396,1044 4.111,1045 4.63,1046 3.158,1047 6.279,1048 3.947,1049 5.806,1050 0.499,1051 7.04,1052 2.275,1053 3.761,1054 4.46,1055 1.305,1056 7.195,1057 3.488,1058 7.108,1059 0.208,1060 8.705,1061 1.198,1062 5.694,1063 6.796,1064 5.094,1065 10.281,1066 5.39,1067 8.451,1068 -0.21,1069 10.429,1070 0.336,1071 6.155,1072 7.454,1073 2.419,1074 12.022,1075 5.765,1076 9.827,1077 -0.798,1078 12.191,1079 -0.459,1080 7.582,1081 9.268,1082 7.204,1083 14.634,1084 7.157,1085 11.226,1086 -1,1087 13.977,1088 -1.629,1089 8.401,1090 10.301,1091 3.517,1092 16.712,1093 7.899,1094 12.644,1095 -1,1096 15.782,1097 -2,1098 9.638,1099 11.899,1100 9.354,1101 19.158,1102 9.092,1103 3.149,1104 -1.104,1105 17.601,1106 -2.93,1107 10.622,1108 13.118,1109 4.595,1110 21.384,1111 10.001,1112 2.742,1113 10.578,1114 19.431,1115 -3,1116 11.787,1117 14.618,1118 11.513,1119 23.767,1120 11.112,1121 2.38,1122 8.783,1123 21.27,1124 4.184,1125 12.849,1126 15.933,1127 5.656,1128 26.061,1129 12.099,1130 2.164,1131 6.73,1132 23.115,1133 3.633,1134 13.988,1135 17.389,1136 13.675,1137 28.422,1138 13.177,1139 1.602,1140 5.998,1141 24.967,1142 3.046,1143 15.087,1144 18.753,1145 6.706,1146 30.746,1147 14.201,1148 1.289,1149 4.008,1150 26.823,1151 2.672,1152 16.22,1153 20.19,1154 15.839,1155 33.1,1156 15.268,1157 1.18,1158 3.598,1159 28.683,1160 1.885,1161 17.338,1162 21.582,1163 7.75,1164 35.439,1165 16.31,1166 3903,1167 7158,1168 13.929,1169 26.313,1170 32.889,1171 36.379,1172 34.494,1173 32.667,1174 32.427,1175 41.701,1176 10.31,1177 91.8,1178 29.691,1179 5.321,1180 6.446,1181 6.493,1182 5.186,1183 5.149,1184 7.184,1185 5.9,1186 17.592,1187 4.929,1188 12.668,1189 1.495,1190 1.654,1191 1.568,1192 1.485,1193 1.474,1194 1.896,1195 0.469,1196 4.173,1197 1.35,1198 4.005,1199 4.049,1200 4.103,1201 3.896,1202 7.429,1203 3.897,1204 3.784,1205 3.822,1206 3.947,1207 3.645,1208 5.041,1209 3.634,1210 3.58,1211 3.653,1212 3.593,1213 3.419,1214 4.87,1215 3.404,1216 3.483,1217 3.57,1218 3.434,1219 3.244,1220 4.257,1221 3.258,1222 2.955,1223 3.009,1224 3.218,1225 2.887,1226 4.194,1227 2.834,1228 2.9,1229 2.998,1230 2.977,1231 2.735,1232 4.107,1233 2.715,1234 2.874,1235 2.965,1236 2.728,1237 2.708,1238 3.674,1239 2.665,1240 2.854,1241 2.925,1242 2.687,1243 2.618,1244 3.624,1245 2.57,1246 0.204,1247 0.202,1248 0.301,1249 0.185,1250 0.143,1251 4.499,1252 0.19,1253 4.446,1254 0.134,1255 6.632,1256 0.481,1257 4.077,1258 0.133,1259 3.149,1260 4.184,1261 2.95,1262 10.578,1263 2.929,1264 1.893,1265 1.872,1266 1.975,1267 1.967,1268 1.165,1269 1.976,1270 1.642,1271 1.588,1272 1.888,1273 1.89,1274 1.078,1275 1.869,1276 1.56,1277 1.485,1278 1.797,1279 1.78,1280 0.852,1281 1.823,1282 1.245,1283 1.182,1284 1.417,1285 1.528,1286 0.561,1287 1.505,1288 1.175,1289 1.123,1290 1.346,1291 1.367,1292 0.469,1293 1.347,1294 0.934,1295 0.821,1296 1.254,1297 1.239,1298 0.304,1299 1.308,1300 0.886,1301 0.804,1302 1.181,1303 1.138,1304 0.259,1305 1.195,1306 0.88,1307 0.794,1308 1.177,1309 1.062,1310 0.218,1311 1.107,1312 3.807,1314 5.106,1315 2.398,1316 6.592,1317 4.727,1318 8.163,1319 6.843,1320 9.783,1322 5.474,1323 5.885,1328 1.892,1331 1.527,1333 1.482,1340 24.503,1341 68.631,1342 133.316,1343 161.157,1344 165.157,1345 165.157,1346 165.157,1347 37.287,1348 6.347,1349 51.02,1350 76.32,1351 11,1352 12.154,1353 3.7,1354 2.907,1355 39.005,1356 65,1357 65,1358 0.312,1359 163.349,1360 274.91,1361 390.332,1362 3634,1363 2.6,1364 15.405,1365 0.734,1366 0.656,1367 16.259,1368 13.779,1369 10.024,1370 0.456,1371 0.362,1372 6.615,1373 8.874,1374 6.221,1375 5.27,1376 10.767,1377 7.964,1378 8.921,1379 0.297,1380 0.205,1381 9.912,1382 6.161,1383 7.168,1384 0.189,1385 0.107,1386 8.156,1387 4.066,1388 5.281,1389 0.112,1390 0.054,1391 6.109,1392 2.525,1393 4.276,1394 0.074,1395 0.032,1396 5.167,1397 1.835,1398 0.473,1399 70.536,1400 0.268,1401 20.621,1402 0.904,1403 104,1404 335.38,1405 154.009,1406 374.703,1407 497.58,1408 348,1409 120,1410 330.356,1411 161.309,1412 356.257,1413 521.85,1414 331,1415 6.523}
{0 CHEMBL334971,1 1.672,2 10.538,3 4.394,4 19.31,5 102.62,6 8.011,7 0.607,8 3.924,9 4.036,10 3.603,11 3.486,12 5.065,13 3.448,14 4.419,15 4.59,16 3.951,17 3.816,18 5.523,19 3.763,20 4.539,21 4.713,22 4.007,23 3.905,24 5.683,25 3.84,26 4.608,27 4.793,28 4.001,29 3.857,30 5.827,31 3.821,32 4.654,33 4.879,34 3.953,35 3.906,36 5.739,37 3.824,38 4.592,39 4.789,40 3.927,41 3.892,42 5.741,43 3.785,44 4.47,45 4.634,46 3.821,47 3.85,48 5.62,49 3.75,50 4.559,51 4.773,52 3.635,53 3.863,54 5.528,55 3.719,56 0.041,57 0.695,58 9.013,59 4.255,60 6.174,61 5.173,62 0.349,63 1.099,64 20.251,65 6.802,66 20.72,67 8.452,68 0.232,69 1.208,70 23.027,71 8.127,72 25.484,73 9.879,74 0.386,75 1.28,76 22.489,77 6.801,78 43.874,79 8.559,80 0.324,81 1.327,82 24.766,83 7.815,84 38.125,85 9.996,86 0.408,87 1.244,88 27.775,89 8.722,90 44.364,91 9.928,92 0.317,93 1.105,94 22.521,95 7.792,96 37.948,97 8.736,98 0.237,99 1.148,100 23.3,101 8.688,102 30.107,103 11.077,104 22,105 38,106 0.286,107 0.591,108 0.738,109 0.815,110 0.825,111 0.825,112 3.304,113 0.985,114 -5.45,115 -5.33,116 -4.98,121 41.3,122 1,126 2,127 1,144 9,145 1,146 2,151 1,161 1,164 1,168 1,176 8,179 5,180 8,187 9,191 2,192 10,200 4,205 2,206 16,214 1,219 11,227 2,231 2,232 12,239 5,243 1,244 7,251 6,256 2,264 11,268 2,277 11,281 1076,282 17.792,283 17.792,284 17.792,285 17.792,286 17.792,287 15.744,288 16.411,289 10.625,290 18.561,291 13.693,292 13.693,293 13.693,294 13.693,295 13.693,296 10.484,297 18.476,298 4.869,299 14.696,300 3.851,301 2.068,302 1.208,303 0.761,304 0.701,305 0.701,306 3.984,311 1,312 1,313 577,314 3.464,317 78.08,318 186.552,325 1.615,326 21.277,328 1,329 0.75,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.86,337 56,338 274,339 4.515,340 4.443,341 6.712,342 4.114,343 3.183,344 4.19,345 2.95,346 10.804,347 2.968,348 4.17,349 3.752,350 6.221,351 3.819,352 2.86,353 3.687,354 1.678,355 9.226,356 2.747,357 3.976,358 2.979,359 5.921,360 3.55,361 2.607,362 3.522,363 0.86,364 8.208,365 2.454,366 3.66,367 2.83,368 5.294,369 3.26,370 2.317,371 3.026,372 0.527,373 6.742,374 2.181,375 3.389,376 2.668,377 5.088,378 2.954,379 2.019,380 2.637,382 5.726,383 1.866,384 2.917,385 2.552,386 4.309,387 2.484,388 1.553,389 2.061,391 3.935,392 1.442,393 2.789,394 1.764,395 4.237,396 2.325,397 1.401,398 1.889,400 3.586,401 1.263,402 2.5,403 1.712,404 3.607,405 2,406 1.04,407 1.5,409 2.59,410 1,411 2.5,412 1.336,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.408,421 1.034,422 3.247,423 1.98,424 1,425 1.354,427 2.136,428 0.967,429 2.059,430 1,431 3.128,432 1.77,433 0.864,434 1.006,436 1.589,437 0.768,438 1.856,439 1,440 3.072,441 1.406,442 0.49,443 0.564,445 0.897,446 0.428,447 1.642,448 0.964,449 2.79,450 1.328,451 0.358,452 0.485,454 0.707,455 0.352,456 0.829,457 0.287,458 2.35,459 0.503,460 -0.391,461 -0.439,463 -0.669,464 -0.341,465 0.73,466 -0.206,467 2.219,468 0.39,469 -0.54,470 -0.672,472 -1.048,473 -0.498,474 12.6,475 0.485,476 0.537,477 0.021,478 35.75,479 1.375,480 19,481 0.731,482 16.75,483 0.644,484 19.835,485 0.763,486 27.6,487 0.6,488 26.322,489 1.012,490 7.044,491 0.271,492 5.59,493 0.215,494 0.146,496 0.302,501 0.729,502 1.316,503 0.726,504 1.031,505 0.618,506 0.963,507 0.857,508 1.022,509 0.936,510 0.975,511 0.658,512 0.831,513 0.942,514 1.282,515 1.019,516 1.153,517 0.824,518 0.958,519 1.467,520 1.257,521 0.931,522 0.965,523 1.647,524 0.981,525 1.278,526 0.983,527 0.922,528 0.771,529 1.322,530 0.837,531 1.337,532 1.024,533 1.439,534 1.134,535 1.595,536 0.975,537 1.449,538 1.066,539 1.47,540 1.187,541 1.882,542 1.103,543 0.831,544 1.015,545 1.139,546 1.169,547 0.95,548 1.225,549 4.5,550 0.095,551 3.111,552 1.757,553 1.593,554 1.188,555 0.503,556 0.397,557 0.273,558 0.137,559 7445,560 20661,561 2.037,562 43.5,564 17,569 3,572 1.695,573 1.902,574 3.364,575 -0.722,577 1,582 76.935,583 1.672,584 3.456,585 4.316,586 4.762,587 4.822,588 4.822,589 2.874,590 4.133,591 4.667,592 3.49,593 1134.33,594 8.111,595 14065.2,597 1,599 1,600 254.084,601 1.42,602 4.628,603 0.161,604 0.006,605 0.082,606 0.044,607 0.042,608 0.033,609 0.015,610 0.012,611 0.011,612 0.007,613 0.412,614 0.17,615 0.88,616 1.062,617 126.616,618 0.048,619 -0.185,620 0.081,621 -0.067,622 -0.05,623 -0.04,624 0.201,625 0.082,626 0.101,627 0.049,628 0.065,629 0.103,630 0.067,631 -0.214,632 0.044,633 -0.102,634 0.14,635 -0.002,636 -0.129,637 -0.158,638 -0.046,639 -0.111,640 -0.088,641 -0.124,642 -0.213,643 0.093,644 0.033,645 0.133,646 -0.114,647 0.074,648 -0.124,649 0.078,650 -0.161,651 0.004,652 -0.056,653 -0.024,654 -0.252,655 0.03,656 -0.306,657 -0.076,658 -0.241,659 -0.16,660 -0.108,661 -0.031,662 -0.21,663 -0.181,664 -0.165,665 -0.229,666 1.917,667 5.939,668 0.654,669 24.337,670 1.005,671 1.123,672 4.224,673 17.843,674 0.688,675 3.367,676 3.664,677 3.951,678 4.174,679 4.369,680 4.454,681 4.533,682 4.564,683 4.673,684 4.673,685 6.111,686 0.65,687 368.5,688 3.367,689 4.89,690 5.74,691 6.608,692 7.479,693 8.358,694 9.238,695 10.123,696 11.008,697 11.896,698 8.7,705 1,706 1,708 2,715 9,716 2,720 5,721 1,722 17,739 1,741 46,743 18,744 2,745 28,747 48,748 19,749 14,750 3,751 9,752 1,756 3,757 3,761 1,763 1,772 15,773 4,777 1,782 1,786 1,790 1,793 20,794 5,796 7,797 1,802 4,808 1,809 2,828 1,829 2,859 3,860 1,862 1,864 3,868 26,876 1,878 1,879 1,881 1,890 1,893 4.3,896 1,898 1,901 13.667,902 9.3,903 5.972,904 2.694,907 2.834,908 1.404,909 0.963,910 5.965,911 9.846,912 3.651,913 4.223,914 4.819,915 5.369,916 5.834,917 6.083,918 6.421,919 6.739,920 7.125,921 7.348,922 1,923 40,924 9.576,926 3.926,927 0.026,929 7.724,931 18.169,933 14.164,936 2.224,937 57.833,940 1,941 235.422,942 164.993,943 38.349,945 36.145,947 32.22,948 132.773,949 271.567,950 38.349,951 28.105,952 4.024,953 85.286,954 58.593,955 26.983,956 4.276,957 267.642,959 235.422,960 171.123,961 36.145,962 32.22,964 202.437,965 71.458,968 15.319,969 120.027,970 33.449,971 32.22,972 235.422,973 74.494,974 164.993,977 235.422,978 51.602,979 118.292,981 69.593,982 235.422,983 74.494,984 164.993,986 0.567,987 0.345,988 0.185,989 0.101,990 17,991 8,992 0.104,993 5,995 1,996 3.735,997 214.514,999 17,1000 114.211,1001 1,1005 18.491,1006 8.388,1007 4.11,1009 72.718,1010 16.917,1011 9.003,1015 3.477,1016 1.362,1018 474.909,1019 37.5,1024 12.939,1028 -0.251,1031 46.207,1032 51.654,1034 0.303,1035 0.626,1036 0.781,1037 0.862,1038 0.873,1039 0.873,1040 4.862,1041 1.04,1042 5.714,1043 3.586,1044 4.344,1045 4.909,1046 3.219,1047 6.524,1048 4.223,1049 6.058,1050 1,1051 7.276,1052 2.59,1053 3.892,1054 4.605,1055 1.305,1056 7.438,1057 3.702,1058 7.355,1059 1,1060 8.942,1061 2.275,1062 5.932,1063 7.074,1064 5.101,1065 10.548,1066 5.698,1067 8.693,1068 0.864,1069 10.67,1070 2.136,1071 6.347,1072 7.622,1073 2.419,1074 12.291,1075 6.032,1076 10.065,1077 0.49,1078 12.436,1079 1.589,1080 7.824,1081 9.52,1082 7.205,1083 14.915,1084 7.474,1085 11.46,1086 0.358,1087 14.228,1088 0.897,1089 8.623,1090 10.466,1091 3.517,1092 16.99,1093 8.187,1094 12.873,1095 -0.391,1096 16.04,1097 0.707,1098 9.883,1099 12.114,1100 9.354,1101 19.449,1102 9.407,1103 3.183,1104 -0.54,1105 17.864,1106 -0.669,1107 10.859,1108 13.27,1109 4.595,1110 21.675,1111 10.299,1112 2.86,1113 10.804,1114 19.7,1115 -1.048,1116 12.034,1117 14.797,1118 11.513,1119 24.073,1120 11.426,1121 2.607,1122 9.226,1123 21.543,1124 4.19,1125 13.094,1126 16.067,1127 5.656,1128 26.369,1129 12.405,1130 2.317,1131 8.208,1132 23.394,1133 3.687,1134 14.238,1135 17.536,1136 13.675,1137 28.746,1138 13.494,1139 2.019,1140 6.742,1141 25.25,1142 3.522,1143 15.338,1144 18.87,1145 6.706,1146 31.078,1147 14.516,1148 1.553,1149 5.726,1150 27.111,1151 3.026,1152 16.475,1153 20.311,1154 15.839,1155 33.449,1156 15.59,1157 1.401,1158 3.935,1159 28.976,1160 2.637,1161 17.596,1162 21.683,1163 7.75,1164 35.8,1165 16.636,1166 7353,1167 12413,1168 18.493,1169 31.671,1170 41.938,1171 45.281,1172 43.509,1173 41.466,1174 41.384,1175 54.841,1176 12.03,1177 116.84,1178 38.872,1179 5.361,1180 6.443,1181 6.514,1182 5.192,1183 5.183,1184 7.19,1185 5.9,1186 18.212,1187 4.968,1188 12.955,1189 1.498,1190 1.617,1191 1.554,1192 1.481,1193 1.478,1194 1.959,1195 0.43,1196 4.173,1197 1.388,1198 4.021,1199 4.064,1200 4.093,1201 3.896,1202 7.429,1203 3.904,1204 3.897,1205 3.929,1206 3.835,1207 3.823,1208 5.028,1209 3.82,1210 3.755,1211 3.794,1212 3.808,1213 3.609,1214 4.804,1215 3.601,1216 3.446,1217 3.52,1218 3.504,1219 3.299,1220 4.755,1221 3.265,1222 3.362,1223 3.434,1224 3.263,1225 3.128,1226 4.316,1227 3.149,1228 3.216,1229 3.291,1230 3.028,1231 2.943,1232 4.04,1233 2.949,1234 2.888,1235 2.942,1236 2.742,1237 2.735,1238 4.028,1239 2.715,1240 2.854,1241 2.925,1242 2.72,1243 2.735,1244 3.674,1245 2.715,1246 0.161,1247 0.159,1248 0.24,1249 0.147,1250 0.114,1251 4.515,1252 0.15,1253 4.443,1254 0.105,1255 6.712,1256 0.386,1257 4.114,1258 0.106,1259 3.183,1260 4.19,1261 2.95,1262 10.804,1263 2.968,1264 1.898,1265 1.873,1266 2.017,1267 2.015,1268 1.085,1269 2.013,1270 1.891,1271 1.863,1272 1.991,1273 1.985,1274 1.081,1275 1.987,1276 1.554,1277 1.509,1278 1.776,1279 1.773,1280 1.001,1281 1.769,1282 1.423,1283 1.355,1284 1.651,1285 1.657,1286 0.7,1287 1.684,1288 1.252,1289 1.202,1290 1.574,1291 1.541,1292 0.578,1293 1.547,1294 1.151,1295 1.063,1296 1.307,1297 1.443,1298 0.395,1299 1.444,1300 1.066,1301 0.983,1302 1.187,1303 1.308,1304 0.249,1305 1.29,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 4.043,1314 5.342,1315 2.398,1316 6.845,1317 4.727,1318 8.432,1319 6.843,1320 10.064,1322 5.366,1328 0.795,1330 5.18,1331 1.483,1333 1.562,1340 29.917,1341 76.935,1342 158.971,1343 198.535,1344 219.064,1345 221.819,1346 221.819,1347 41.598,1348 7.012,1349 60.25,1350 85.55,1351 17,1352 12.427,1353 4.248,1354 3.392,1355 44.152,1356 92,1357 111,1358 0.232,1359 190.799,1360 323.81,1361 457.309,1362 9225,1364 18.518,1365 0.712,1366 0.605,1367 18.872,1368 15.733,1369 12.635,1370 0.451,1371 0.328,1372 8.161,1373 11.594,1374 7.789,1375 6.548,1376 13.089,1377 9.197,1378 10.749,1379 0.283,1380 0.176,1381 11.406,1382 6.7,1383 9.479,1384 0.186,1385 0.091,1386 10.043,1387 4.622,1388 7.481,1389 0.117,1390 0.048,1391 8.094,1392 3.062,1393 5.778,1394 0.074,1395 0.026,1396 6.356,1397 2.018,1398 0.359,1399 84.017,1400 0.233,1401 25,1402 0.653,1403 132,1404 412.912,1405 170.035,1406 416.926,1407 574.21,1408 392,1409 155,1410 416.095,1411 188.205,1412 432.156,1413 633.59,1414 404,1415 5.959}
{0 CHEMBL335033,1 1.669,2 8.682,3 3.394,4 11.517,5 88.082,6 8.222,7 0.667,8 3.742,9 3.858,10 3.457,11 3.34,12 4.882,13 3.294,14 4.237,15 4.415,16 3.801,17 3.686,18 5.341,19 3.633,20 4.338,21 4.491,22 3.875,23 3.787,24 5.547,25 3.723,26 4.509,27 4.733,28 3.811,29 3.711,30 5.682,31 3.654,32 4.311,33 4.518,34 3.7,35 3.673,36 5.371,37 3.567,38 4.257,39 4.442,40 3.529,41 3.601,42 5.366,43 3.468,44 4.129,45 4.31,46 3.387,47 3.49,48 5.229,49 3.372,50 4.274,51 4.553,52 3.206,53 3.448,54 5.148,55 3.262,56 0.033,57 0.597,58 7.13,59 3.421,60 4.73,61 4.171,62 0.309,63 0.964,64 17.394,65 5.6,66 14.172,67 6.991,68 0.117,69 1.017,70 14.702,71 6.317,72 19.471,73 8.013,74 0.445,75 1.139,76 22.24,77 6.392,78 51.512,79 7.851,80 0.163,81 0.99,82 16.549,83 5.919,84 20.014,85 7.308,86 0.235,87 0.941,88 22.812,89 6.881,90 28.251,91 7.033,92 0.126,93 0.787,94 13.417,95 5.252,96 20.06,97 6.316,98 0.171,99 0.813,100 19.619,101 7.058,102 24.914,103 9.253,104 22,105 34,106 0.297,107 0.598,108 0.697,109 0.78,110 0.802,111 0.821,112 3.147,113 1.005,114 -5.05,115 -4.95,116 -4.64,121 42.1,126 3,144 7,145 3,151 1,161 1,164 1,168 1,176 11,179 5,180 4,187 14,191 2,192 6,200 12,205 2,206 8,214 7,219 8,227 4,232 10,239 2,244 8,251 2,256 5,264 2,269 4,277 1,281 606,282 14.801,283 14.801,284 14.801,285 14.801,286 14.801,287 12.936,288 8.353,289 8.568,290 15.336,291 11.755,292 11.755,293 11.755,294 11.755,295 11.755,296 8.766,297 7.45,298 3.953,299 12.45,300 3.579,301 1.89,302 1.333,303 0.869,304 0.744,305 0.639,306 3.824,310 1,311 1,312 1,313 404,314 3.162,317 57.608,318 112.111,322 95.224,325 1.347,326 16.422,327 1,328 1,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 47,338 191,339 4.526,340 4.378,341 6.633,342 4.095,343 3.157,344 4.379,345 2.95,346 10.575,347 2.999,348 4.369,349 3.698,350 6.255,351 3.906,352 2.923,353 4.111,354 1.678,355 9.414,356 2.836,357 3.909,358 2.995,359 5.967,360 3.548,361 2.581,362 3.31,363 0.527,364 8.385,365 2.494,366 3.512,367 2.724,368 5.456,369 3.133,370 2.226,371 2.75,373 6.582,374 2.007,375 3.118,376 2.42,377 4.465,378 2.618,379 1.618,380 2.427,382 4.44,383 1.618,384 2.969,385 1.996,386 4.333,387 2.474,388 1.503,389 2.182,391 3.846,392 1.46,393 2.715,394 1.683,395 4.255,396 2.287,397 1.398,398 1.805,400 3.65,401 1.223,402 2.598,403 1.618,404 3.607,405 2.185,406 1.227,407 1.617,409 2.921,410 1.167,411 2.155,412 1.433,413 3.172,414 1.66,415 0.663,416 0.981,418 1.544,419 0.659,420 2.058,421 1.176,422 3.137,423 1.515,424 0.49,425 0.712,427 1.184,428 0.494,429 1.49,430 0.656,431 2.704,432 1.098,433 0.314,434 0.359,436 0.459,437 0.242,438 1.03,439 0.252,440 2.567,441 0.563,442 -0.427,443 -0.604,445 -1.054,446 -0.421,447 0.882,448 -0.354,449 2.208,450 0.382,451 -0.618,452 -0.927,454 -1.599,455 -0.618,456 0.421,457 -0.53,458 2,459 -0.052,460 -1,461 -1,463 -2,464 -0.829,465 0.355,466 -0.6,467 1.871,468 -0.096,469 -1,470 -1.203,472 -2.418,473 -0.9,474 10.767,475 0.489,476 0.575,477 0.026,478 30.25,479 1.375,480 16,481 0.727,482 14.25,483 0.648,484 15.813,485 0.719,486 22.833,487 0.601,488 20.978,489 0.954,490 5.894,491 0.268,492 4.702,493 0.214,494 0.17,496 0.353,501 0.649,502 1.271,503 0.707,504 0.959,505 0.593,506 0.918,507 0.609,508 0.868,509 0.965,510 0.927,511 0.554,512 0.735,513 0.713,514 1.317,515 0.748,516 1.097,517 0.797,518 1.074,519 1.746,520 0.853,521 0.872,522 0.685,523 1.869,524 0.76,525 1.143,526 1.055,527 0.972,528 0.891,529 0.788,530 0.967,531 1.693,532 1.202,533 2.019,534 1.544,535 1.455,536 1.196,537 1.29,538 1.184,539 1.177,540 1.174,541 1.31,542 1.27,543 0.749,544 0.779,545 0.837,546 0.859,547 0.782,548 0.908,549 4.5,550 0.062,551 2.889,552 1.382,553 1.616,554 0.806,555 0.326,556 0.333,557 0.224,558 0.141,559 4627,560 12848,561 2.043,562 42.1,564 16,572 1.647,573 1.886,574 3.141,575 -0.717,576 1,577 1,579 1,582 63.421,583 1.669,584 3.358,585 3.914,586 4.379,587 4.504,588 4.609,589 2.534,590 4.278,591 4.431,592 3.247,593 750.103,594 7.623,595 8095.2,596 1,597 1,598 1,599 1,600 199.421,601 1.495,602 4.376,603 0.188,604 0.009,605 0.085,606 0.039,607 0.052,608 0.03,609 0.014,610 0.017,611 0.014,612 0.012,613 0.459,614 0.33,615 1,616 1.167,617 100.111,618 0.08,619 -0.162,620 0.08,621 -0.037,622 -0.067,623 -0.028,624 0.346,625 0.25,626 0.067,627 0.081,628 0.101,629 0.185,630 0.191,631 -0.298,632 0.059,633 -0.188,634 0.154,635 -0.156,636 -0.183,637 0.175,638 0.039,639 0.167,640 -0.181,641 0.118,642 -0.199,643 0.013,644 -0.019,645 0.049,646 -0.067,647 -0.048,648 -0.418,649 -0.07,650 -0.537,651 -0.266,652 -0.181,653 -0.235,654 -0.253,655 -0.177,656 -0.278,657 -0.231,658 -0.195,659 -0.343,660 0.036,661 0.068,662 0.153,663 0.133,664 0.045,665 0.156,666 1.871,667 5.154,668 0.682,669 16.818,670 1.003,671 1.121,672 3.822,673 14.611,674 0.702,675 3.219,676 3.555,677 3.85,678 4.094,679 4.317,680 4.394,681 4.477,682 4.585,683 4.718,684 4.663,685 5.26,686 0.662,687 312.43,688 3.219,689 4.762,690 5.624,691 6.509,692 7.392,693 8.282,694 9.172,695 10.065,696 10.957,697 11.851,698 10.5,705 1,706 1,708 2,714 2,715 7,716 2,720 3,721 1,722 16,741 38,743 17,744 2,745 24,747 40,748 16,749 12,750 3,751 7,752 1,756 3,757 4,761 1,772 13,773 3,777 1,782 1,786 1,789 1,790 1,793 16,794 4,796 6,797 1,802 4,808 0.667,809 1,828 1,829 2,833 1,859 2,860 1,862 1,864 3,868 22,879 1,881 1,890 1,893 2.6,896 1,901 11.667,902 7.967,903 4.889,904 2.059,907 3.281,908 1.473,909 0.986,910 4.076,911 10.212,912 3.526,913 4.171,914 4.829,915 5.436,916 5.986,917 6.365,918 6.805,919 7.275,920 7.758,921 7.949,922 0.833,923 35,924 8.096,926 3.369,927 0.026,929 7.72,931 15.404,933 12.266,936 2.22,937 48.833,941 188.338,942 138.165,943 38.349,945 25.145,947 32.22,948 105.945,949 213.483,950 38.349,951 23.983,952 3.124,953 66.334,954 58.593,955 13.129,956 4.276,957 220.557,959 188.338,960 144.295,961 25.145,962 32.22,964 190.666,965 25.145,968 5.594,969 102.924,970 33.449,971 32.22,972 188.338,973 63.494,974 138.165,977 188.338,978 47.848,979 95.218,981 58.593,982 188.338,983 63.494,984 138.165,986 0.584,987 0.354,988 0.185,989 0.103,990 17,991 8,992 0.05,993 2,994 1,995 1.133,996 3.352,997 174.427,998 0.133,999 15,1000 96.107,1001 1,1005 14.917,1006 6.012,1007 2.845,1008 2.293,1009 61.718,1010 14.186,1011 8.849,1015 2.048,1016 1.342,1018 389.997,1019 33,1024 12.154,1028 -0.205,1031 38.113,1032 42.614,1034 0.318,1035 0.64,1036 0.746,1037 0.834,1038 0.858,1039 0.878,1040 4.754,1041 1.227,1042 5.624,1043 3.65,1044 4.234,1045 4.856,1046 3.158,1047 6.46,1048 4.14,1049 5.984,1050 0.663,1051 7.206,1052 2.921,1053 3.892,1054 4.732,1055 1.305,1056 7.413,1057 3.745,1058 7.307,1059 0.49,1060 8.887,1061 1.544,1062 5.855,1063 7.135,1064 5.094,1065 10.509,1066 5.678,1067 8.67,1068 0.314,1069 10.625,1070 1.184,1071 6.33,1072 7.852,1073 2.419,1074 12.26,1075 6.095,1076 10.065,1077 -0.427,1078 12.397,1079 0.459,1080 7.774,1081 9.715,1082 7.204,1083 14.868,1084 7.516,1085 11.483,1086 -0.618,1087 14.193,1088 -1.054,1089 8.605,1090 10.818,1091 3.517,1092 16.941,1093 8.288,1094 12.918,1095 -1,1096 16.004,1097 -1.599,1098 9.851,1099 12.456,1100 9.354,1101 19.375,1102 9.506,1103 3.157,1104 -1,1105 17.827,1106 -2,1107 10.842,1108 13.744,1109 4.595,1110 21.589,1111 10.44,1112 2.923,1113 10.575,1114 19.659,1115 -2.418,1116 12.01,1117 15.281,1118 11.513,1119 23.959,1120 11.574,1121 2.581,1122 9.414,1123 21.498,1124 4.379,1125 13.074,1126 16.658,1127 5.656,1128 26.237,1129 12.582,1130 2.226,1131 8.385,1132 23.342,1133 4.111,1134 14.213,1135 18.151,1136 13.675,1137 28.584,1138 13.682,1139 1.618,1140 6.582,1141 25.19,1142 3.31,1143 15.311,1144 19.571,1145 6.706,1146 30.894,1147 14.726,1148 1.503,1149 4.44,1150 27.043,1151 2.75,1152 16.441,1153 21.045,1154 15.839,1155 33.236,1156 15.812,1157 1.398,1158 3.846,1159 28.898,1160 2.427,1161 17.556,1162 22.486,1163 7.75,1164 35.562,1165 16.874,1166 4586,1167 7767,1168 15.72,1169 26.693,1170 36.59,1171 40.48,1172 37.893,1173 36.14,1174 36.198,1175 49.268,1176 10.31,1177 106.001,1178 34.397,1179 5.299,1180 6.378,1181 6.32,1182 5.13,1183 5.157,1184 7.379,1185 5.9,1186 17.581,1187 4.999,1188 11.563,1189 1.525,1190 1.687,1191 1.579,1192 1.506,1193 1.508,1194 2.053,1195 0.43,1196 4.417,1197 1.433,1198 4.104,1199 4.131,1200 4.109,1201 4.053,1202 7.429,1203 4.05,1204 3.883,1205 3.936,1206 3.966,1207 3.681,1208 5.034,1209 3.7,1210 3.552,1211 3.624,1212 3.535,1213 3.386,1214 4.832,1215 3.386,1216 3.395,1217 3.447,1218 3.442,1219 3.27,1220 4.271,1221 3.239,1222 3.152,1223 3.237,1224 3.181,1225 3.032,1226 4.197,1227 2.979,1228 3.04,1229 3.093,1230 2.923,1231 2.931,1232 3.892,1233 2.906,1234 2.874,1235 3.009,1236 2.754,1237 2.634,1238 3.837,1239 2.651,1240 2.857,1241 2.884,1242 2.499,1243 2.618,1244 3.555,1245 2.57,1246 0.189,1247 0.182,1248 0.276,1249 0.171,1250 0.132,1251 4.526,1252 0.182,1253 4.378,1254 0.123,1255 6.633,1256 0.441,1257 4.095,1258 0.125,1259 3.157,1260 4.379,1261 2.95,1262 10.575,1263 2.999,1264 2.073,1265 2.055,1266 2.155,1267 2.126,1268 1.287,1269 2.137,1270 1.593,1271 1.531,1272 1.798,1273 1.893,1274 0.855,1275 1.859,1276 1.536,1277 1.502,1278 1.671,1279 1.652,1280 0.741,1281 1.658,1282 1.346,1283 1.286,1284 1.539,1285 1.56,1286 0.703,1287 1.588,1288 1.131,1289 1.075,1290 1.417,1291 1.382,1292 0.469,1293 1.4,1294 1.06,1295 0.98,1296 1.307,1297 1.267,1298 0.374,1299 1.308,1300 0.955,1301 0.892,1302 1.265,1303 1.239,1304 0.299,1305 1.276,1306 0.934,1307 0.804,1308 1.087,1309 1.142,1310 0.14,1311 1.149,1312 3.892,1314 5.22,1315 2.398,1316 6.749,1317 4.727,1318 8.364,1319 6.843,1320 10.023,1322 5.279,1331 1.402,1333 1.485,1340 25.148,1341 63.421,1342 127.589,1343 148.75,1344 166.402,1345 171.157,1346 175.157,1347 30.4,1348 6.931,1349 51.02,1350 76.32,1351 17,1352 12.378,1353 4.17,1354 3.322,1355 34.399,1356 69,1357 62,1358 0.251,1359 160.953,1360 265.76,1361 384.485,1362 8259,1364 15.69,1365 0.713,1366 0.612,1367 16.043,1368 13.463,1369 10.597,1370 0.442,1371 0.335,1372 6.823,1373 9.743,1374 6.414,1375 5.421,1376 11.154,1377 8.043,1378 9.545,1379 0.281,1380 0.172,1381 10.011,1382 5.846,1383 8.284,1384 0.18,1385 0.086,1386 8.781,1387 3.961,1388 6.532,1389 0.111,1390 0.045,1391 7.03,1392 2.664,1393 5.343,1394 0.072,1395 0.025,1396 5.848,1397 1.875,1398 0.383,1399 71.831,1400 0.252,1401 21.415,1402 0.717,1403 116,1404 343.176,1405 147.15,1406 357.156,1407 491.77,1408 334,1409 138,1410 357.151,1411 166.21,1412 376.816,1413 551.48,1414 349,1415 7.301}
{0 CHEMBL335158,1 1.629,2 10.704,3 6.308,4 39.791,5 111.653,6 7.538,7 0.379,8 4.057,9 4.187,10 3.679,11 3.629,12 5.02,13 3.553,14 4.641,15 4.84,16 4.041,17 4.017,18 5.566,19 3.901,20 4.899,21 5.155,22 4.089,23 4.12,24 5.782,25 3.964,26 4.867,27 5.125,28 4.043,29 3.991,30 5.853,31 3.872,32 4.725,33 4.966,34 4.018,35 3.961,36 5.688,37 3.848,38 4.685,39 4.881,40 4.082,41 4.022,42 5.735,43 3.889,44 4.672,45 4.858,46 3.948,47 4.025,48 5.673,49 3.889,50 4.759,51 4.975,52 3.894,53 4.057,54 5.652,55 3.906,56 0.045,57 0.805,58 12.229,59 5.357,60 5.361,61 7.176,62 0.319,63 1.319,64 26.981,65 9.204,66 20.273,67 12.661,68 0.313,69 1.513,70 38.711,71 12.377,72 35.212,73 16.653,74 0.483,75 1.453,76 38.55,77 10.288,78 50.215,79 13.96,80 0.349,81 1.363,82 31.423,83 8.903,84 35.598,85 11.742,86 0.421,87 1.369,88 35.606,89 9.756,90 43.608,91 11.678,92 0.334,93 1.325,94 33.469,95 10.1,96 34.666,97 12.285,98 0.264,99 1.337,100 32.136,101 10.581,102 30.704,103 14.164,104 16,105 38,106 0.273,107 0.525,108 0.689,109 0.796,110 0.826,111 0.826,112 3.34,113 1.159,114 -6.64,115 -6.46,116 -5.99,121 37,122 1,123 7,127 3,144 4,145 1,146 1,151 1,161 1,164 1,168 1,176 10,179 5,180 6,187 11,191 2,192 7,200 7,205 2,206 14,214 4,219 11,227 3,232 14,239 6,244 11,251 6,256 5,264 13,269 5,277 14,281 1309,282 18.543,283 18.543,284 18.543,285 18.543,286 18.543,287 17.169,288 13.699,289 11.509,290 19.14,291 14.309,292 14.309,293 14.309,294 14.309,295 14.309,296 12.12,297 11.966,298 5.492,299 15.333,300 4.126,301 2.624,302 1.645,303 1.005,304 0.829,305 0.829,306 4.023,308 1,312 1,313 606,314 3.464,317 81.721,318 191.227,325 1.588,326 22.618,329 0.75,330 0.83,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.88,337 57.333,338 289,339 4.504,340 4.447,341 6.667,342 4.093,343 3.164,344 4.185,345 2.95,346 10.714,347 2.944,348 4.098,349 3.737,350 6.127,351 3.745,352 2.783,353 3.636,354 1.678,355 8.958,356 2.672,357 3.76,358 3.002,359 5.683,360 3.389,361 2.48,362 3.075,363 0.527,364 7.524,365 2.241,366 3.496,367 2.869,368 5.03,369 3.088,370 2.203,371 2.731,373 6.031,374 1.898,375 2.976,376 2.586,377 4.651,378 2.828,379 1.87,380 2.006,382 4.701,383 1.792,384 2.843,385 2.383,386 4.259,387 2.698,388 1.721,389 1.904,391 3.853,392 1.649,393 2.706,394 1.767,395 3.816,396 2.346,397 1.427,398 1.739,400 3.438,401 1.283,402 2.5,403 1.653,404 3.743,405 2.172,406 1.233,407 1.5,409 3.01,410 1.139,411 2.431,412 1.411,413 3.414,414 2.08,415 1.127,416 1.412,418 2.275,419 1.059,420 2.236,421 1.275,422 3.292,423 2,424 1,425 1.219,427 2.249,428 1,429 2.05,430 1.077,431 3.257,432 1.984,433 1,434 1,436 2.136,437 0.983,438 2,439 1,440 3.247,441 1.581,442 0.563,443 0.779,445 1.442,446 0.562,447 1.568,448 0.893,449 2.666,450 1.411,451 0.495,452 0.524,454 0.881,455 0.443,456 1.121,457 0.396,458 2.532,459 0.717,460 -0.17,461 -0.195,463 -0.336,464 -0.124,465 0.846,466 0.223,467 2.245,468 0.609,469 -0.266,470 -0.306,472 -0.525,473 -0.225,474 13.481,475 0.499,476 0.486,477 0.018,478 29,479 1.074,480 12,481 0.444,482 17,483 0.63,484 28.379,485 1.051,486 30.319,487 0.561,488 18.722,489 0.693,490 4.694,491 0.174,492 8.491,493 0.314,494 0.115,496 0.245,501 0.611,502 1.387,503 0.697,504 1.039,505 0.513,506 1.041,507 0.536,508 1.216,509 0.839,510 1.097,511 0.476,512 1.045,513 0.743,514 1.099,515 0.844,516 0.978,517 0.665,518 0.901,519 1.375,520 1.042,521 0.895,522 0.884,523 1.514,524 0.804,525 1.578,526 0.989,527 0.894,528 0.769,529 1.576,530 0.74,531 1.646,532 1.149,533 1.464,534 1.284,535 1.604,536 1.012,537 1.525,538 1.218,539 1.484,540 1.409,541 1.598,542 1.174,543 1.116,544 1.118,545 0.874,546 1.052,547 1.277,548 1.176,549 4,550 0.107,551 2.667,552 1.507,553 1.313,554 0.928,555 0.497,556 0.368,557 0.216,558 0.178,559 8476,560 20287,561 2.057,562 50,563 11,564 10,569 6,572 1.707,573 1.952,574 3.387,575 -0.733,582 87.943,583 1.629,584 3.131,585 4.11,586 4.75,587 4.926,588 4.926,589 2.876,590 4.385,591 4.715,592 3.551,593 1246.31,594 8.226,595 16377.6,600 310.764,601 1.277,602 4.698,603 0.138,604 0.005,605 0.07,606 0.04,607 0.036,608 0.026,609 0.014,610 0.011,611 0.007,612 0.007,613 0.354,614 0.17,615 0.88,616 1.585,617 134.088,618 0.079,619 -0.145,620 0.057,621 -0.029,622 0.034,623 -0.018,624 0.293,625 -0.073,626 0.048,627 -0.081,628 0.147,629 -0.055,630 0.151,631 -0.11,632 0.128,633 0.026,634 0.168,635 0.087,636 0.004,637 -0.019,638 0.086,639 0.064,640 0.01,641 0.114,642 -0.229,643 0.138,644 0.065,645 0.219,646 -0.163,647 0.172,648 -0.216,649 0.101,650 -0.168,651 -0.031,652 -0.111,653 -0.046,654 -0.258,655 -0.009,656 -0.303,657 -0.195,658 -0.174,659 -0.184,660 -0.166,661 -0.071,662 -0.099,663 -0.119,664 -0.159,665 -0.202,666 1.724,667 6.006,668 0.63,669 28.793,670 0.995,671 1.131,672 5.411,673 29.284,674 0.669,675 3.401,676 3.664,677 3.912,678 4.143,679 4.357,680 4.443,681 4.543,682 4.654,683 4.762,684 4.736,685 6.467,686 0.614,687 407.03,688 3.401,689 4.905,690 5.733,691 6.586,692 7.442,693 8.311,694 9.182,695 10.061,696 10.941,697 11.826,698 7.4,705 1,706 1,708 2,715 4,716 2,720 4,721 1,722 11,740 1,741 54,743 12,744 1,745 29,747 56,748 20,749 8,750 2,751 4,752 1,756 3,757 3,758 1,761 1,763 1,767 3,770 7,772 9,773 11,777 1,782 1,786 1,793 27,794 4,796 7,797 2,802 4,808 1,809 1,828 1,829 2,859 3,860 1,862 1,864 1,865 1,868 27,876 10,879 1,881 1,890 1,892 1,893 1.9,896 1,901 13.833,902 9.86,903 6.194,904 3.86,907 1.966,908 1.279,909 0.956,910 7.893,911 9.024,912 3.597,913 4.09,914 4.626,915 5.153,916 5.596,917 5.917,918 6.23,919 6.571,920 6.922,921 7.016,922 1,923 38,924 10.05,926 4.155,927 0.026,929 7.584,931 19.752,933 16.099,936 2.084,937 56.278,941 317.82,942 115.786,943 38.349,944 39.149,945 25.145,947 32.22,948 83.566,949 382.113,950 38.349,951 8.825,952 25.977,953 37.905,954 58.593,955 11.484,956 4.276,957 350.039,958 39.149,959 317.82,960 121.915,961 25.145,962 71.368,964 249.521,965 95.772,968 37.272,969 48.867,970 72.597,971 32.22,972 317.82,973 63.494,974 154.934,977 317.82,978 69.055,979 51.631,981 97.742,982 317.82,983 63.494,984 154.934,986 0.559,987 0.319,988 0.169,989 0.095,990 16,991 7,992 0.125,993 7,995 1,996 3.927,997 219.928,999 17,1000 120.382,1001 1,1005 20.537,1006 10.377,1007 5.645,1009 61.718,1010 7.426,1011 9.219,1015 2.811,1016 1.5,1018 536.248,1019 35.5,1024 13.006,1028 -0.057,1031 53.738,1032 61.049,1034 0.283,1035 0.544,1036 0.714,1037 0.825,1038 0.856,1039 0.856,1040 4.81,1041 1.233,1042 5.68,1043 3.438,1044 4.344,1045 4.775,1046 3.158,1047 6.447,1048 4.21,1049 5.959,1050 1.127,1051 7.207,1052 3.01,1053 3.761,1054 4.46,1055 1.305,1056 7.281,1057 3.488,1058 7.233,1059 1,1060 8.843,1061 2.275,1062 5.878,1063 6.861,1064 5.094,1065 10.41,1066 5.611,1067 8.55,1068 1,1069 10.547,1070 2.249,1071 6.196,1072 7.465,1073 2.419,1074 12.137,1075 5.805,1076 9.908,1077 0.563,1078 12.295,1079 2.136,1080 7.724,1081 9.297,1082 7.204,1083 14.762,1084 7.325,1085 11.294,1086 0.495,1087 14.075,1088 1.442,1089 8.468,1090 10.313,1091 3.517,1092 16.842,1093 7.964,1094 12.702,1095 -0.17,1096 15.877,1097 0.881,1098 9.753,1099 11.914,1100 9.354,1101 19.297,1102 9.222,1103 3.164,1104 -0.266,1105 17.696,1106 -0.336,1107 10.703,1108 13.128,1109 4.595,1110 21.528,1111 10.081,1112 2.783,1113 10.714,1114 19.526,1115 -0.525,1116 11.89,1117 14.628,1118 11.513,1119 23.921,1120 11.224,1121 2.48,1122 8.958,1123 21.366,1124 4.185,1125 12.938,1126 15.941,1127 5.656,1128 26.222,1129 12.188,1130 2.203,1131 7.524,1132 23.214,1133 3.636,1134 14.088,1135 17.396,1136 13.675,1137 28.593,1138 13.282,1139 1.87,1140 6.031,1141 25.068,1142 3.075,1143 15.182,1144 18.761,1145 6.706,1146 30.926,1147 14.298,1148 1.721,1149 4.701,1150 26.926,1151 2.731,1152 16.32,1153 20.197,1154 15.839,1155 33.292,1156 15.373,1157 1.427,1158 3.853,1159 28.789,1160 2.006,1161 17.438,1162 21.589,1163 7.75,1164 35.641,1165 16.414,1166 8388,1167 13256,1168 19.474,1169 36.12,1170 42.508,1171 45.93,1172 43.564,1173 42.444,1174 42.132,1175 51.42,1176 10.31,1177 114.422,1178 39.325,1179 5.504,1180 6.447,1181 6.619,1182 5.223,1183 5.164,1184 7.185,1185 5.9,1186 17.902,1187 4.944,1188 11.924,1189 1.466,1190 1.584,1191 1.502,1192 1.464,1193 1.453,1194 1.773,1195 0.356,1196 3.946,1197 1.356,1198 4.017,1199 4.064,1200 4.108,1201 3.901,1202 7.429,1203 3.902,1204 3.847,1205 3.896,1206 3.949,1207 3.713,1208 5.041,1209 3.708,1210 3.745,1211 3.807,1212 3.71,1213 3.64,1214 4.87,1215 3.608,1216 3.695,1217 3.753,1218 3.587,1219 3.525,1220 4.274,1221 3.527,1222 3.412,1223 3.491,1224 3.421,1225 3.269,1226 4.237,1227 3.236,1228 3.186,1229 3.236,1230 3.278,1231 2.96,1232 4.193,1233 2.987,1234 3.111,1235 3.206,1236 3.05,1237 2.941,1238 3.915,1239 2.91,1240 2.987,1241 3.075,1242 2.907,1243 2.889,1244 3.674,1245 2.819,1246 0.155,1247 0.153,1248 0.23,1249 0.141,1250 0.109,1251 4.504,1252 0.144,1253 4.447,1254 0.102,1255 6.667,1256 0.369,1257 4.093,1258 0.102,1259 3.164,1260 4.185,1261 2.95,1262 10.714,1263 2.944,1264 1.893,1265 1.872,1266 2.043,1267 2.025,1268 1.394,1269 2.03,1270 1.822,1271 1.76,1272 2.014,1273 1.962,1274 1.355,1275 1.975,1276 1.759,1277 1.698,1278 1.975,1279 1.915,1280 1.078,1281 1.957,1282 1.5,1283 1.447,1284 1.757,1285 1.711,1286 1.04,1287 1.72,1288 1.363,1289 1.298,1290 1.513,1291 1.626,1292 0.825,1293 1.618,1294 1.187,1295 1.147,1296 1.461,1297 1.376,1298 0.672,1299 1.429,1300 1.153,1301 1.064,1302 1.388,1303 1.368,1304 0.621,1305 1.366,1306 1.024,1307 0.949,1308 1.198,1309 1.264,1310 0.363,1311 1.287,1312 4.078,1314 5.352,1315 2.398,1316 6.821,1317 4.727,1318 8.381,1319 6.843,1320 9.992,1322 2.208,1323 5.987,1328 10.66,1331 1.624,1333 1.894,1340 33.137,1341 87.943,1342 169.071,1343 221.951,1344 256.499,1345 266.009,1346 266.009,1347 50.776,1348 7.058,1349 51.02,1350 76.32,1351 17,1352 12.36,1353 3.7,1354 2.907,1355 46.666,1356 99,1357 134,1358 0.223,1359 213.51,1360 366.35,1361 512.724,1362 9738,1363 1.9,1364 19.062,1365 0.706,1366 0.646,1367 19.916,1368 17.436,1369 13.186,1370 0.455,1371 0.386,1372 9.862,1373 12.05,1374 9.525,1375 7.952,1376 13.929,1377 11.202,1378 11.135,1379 0.293,1380 0.22,1381 12.127,1382 8.375,1383 9.26,1384 0.189,1385 0.122,1386 10.196,1387 5.984,1388 7.34,1389 0.118,1390 0.068,1391 8.226,1392 4.198,1393 5.863,1394 0.076,1395 0.04,1396 6.806,1397 3.056,1398 0.346,1399 89.338,1400 0.227,1401 26.026,1402 0.623,1403 134,1404 365.38,1405 184.676,1406 404.113,1407 544.5,1408 378,1409 154,1410 369.061,1411 195.976,1412 391.74,1413 579.29,1414 369,1415 8}
{0 CHEMBL335167,1 1.401,2 10.552,3 5.812,4 33.777,5 117.458,6 6.56,7 0.375,8 4.168,9 4.301,10 3.636,11 3.689,12 5.147,13 3.646,14 4.758,15 4.962,16 4.05,17 4.128,18 5.692,19 4.064,20 5.011,21 5.212,22 4.174,23 4.342,24 5.89,25 4.253,26 5.205,27 5.449,28 4.132,29 4.408,30 6.075,31 4.287,32 5.23,33 5.48,34 3.997,35 4.331,36 6.143,37 4.178,38 5.185,39 5.481,40 3.775,41 4.082,42 6.074,43 3.93,44 4.77,45 5.01,46 3.643,47 3.834,48 5.774,49 3.738,50 4.587,51 4.801,52 3.61,53 3.824,54 5.624,55 3.729,56 0.053,57 0.863,58 14.225,59 5.743,60 9.982,61 8.142,62 0.428,63 1.437,64 26.762,65 9.595,66 35.215,67 14.055,68 0.219,69 1.814,70 34.061,71 12.807,72 28.042,73 18.531,74 0.369,75 2.088,76 42.124,77 14.363,78 42.378,79 21.485,80 0.376,81 1.963,82 43.337,83 15.56,84 53.191,85 22.467,86 0.618,87 1.608,88 43.007,89 13.914,90 77.229,91 19.776,92 0.504,93 1.154,94 28.411,95 9.14,96 54.696,97 12.593,98 0.353,99 1.097,100 22.985,101 7.868,102 40.962,103 11.159,104 41,105 48,106 0.229,107 0.538,108 0.747,109 0.823,110 0.823,111 0.823,112 3.408,113 0.99,114 -5.18,115 -5.07,116 -4.74,121 40,122 3,123 3,125 1,126 2,127 1,130 1,144 6,145 3,146 3,161 1,176 13,179 2,180 7,183 2,185 2,187 14,192 8,197 4,200 13,206 9,211 5,214 10,218 1,219 13,224 2,227 6,231 1,232 7,237 1,239 5,243 1,244 2,247 1,249 2,251 12,255 1,259 1,264 16,269 2,277 14,281 1215,282 19.427,283 19.427,284 19.427,285 19.427,286 19.427,287 17.859,288 28.41,289 10.93,290 19.783,291 15.603,292 15.603,293 15.603,294 15.603,295 15.603,296 13.04,297 35.291,298 4.929,299 16.177,300 4.506,301 2.609,302 1.326,303 0.863,304 0.863,305 0.863,306 4.098,312 1,313 661,314 3.808,317 115.468,318 160.286,320 93.134,321 97.888,324 137.233,325 1.56,326 20.521,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 61.5,338 306,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 4.379,349 3.687,350 6.512,351 4.016,352 3.033,353 4.027,354 0.966,355 10.217,356 2.981,357 3.975,358 3.151,359 6.211,360 3.631,361 2.676,362 3.315,363 0.693,364 8.828,365 2.556,366 3.662,367 2.818,368 6.169,369 3.388,370 2.449,371 2.873,372 0.366,373 8.458,374 2.285,375 3.467,376 2.742,377 5.446,378 3.282,379 2.349,380 2.604,382 7.17,383 2.178,384 3.355,385 2.503,386 5.164,387 3.061,388 2.061,389 2.594,391 6.02,392 2.061,393 3.297,394 2.358,395 4.869,396 2.945,397 1.98,398 2.423,400 5.478,401 1.894,402 2.857,403 1.747,404 4.704,405 2.439,406 1.491,407 2.003,409 4.386,410 1.411,411 2.616,412 1.581,413 4.215,414 2.365,415 1.376,416 1.63,418 3.304,419 1.353,420 2.518,421 1.2,422 4.007,423 2.128,424 1.133,425 1.522,427 3.06,428 1.126,429 1.96,430 1.171,431 3.722,432 1.847,433 0.864,434 0.917,436 1.849,437 0.846,438 1.783,439 0.929,440 3.25,441 1.692,442 0.725,443 0.757,445 1.648,446 0.699,447 1.576,448 0.714,449 3.087,450 1.396,451 0.396,452 0.452,454 0.578,455 0.396,456 1.239,457 0.456,458 2.89,459 0.971,460 0.043,461 0.048,463 0.095,464 0.04,465 1.117,466 0.259,467 2.618,468 0.794,469 -0.197,470 -0.232,472 -0.411,473 -0.192,474 13.867,475 0.478,476 0.874,477 0.03,478 33.75,479 1.164,480 15,481 0.517,482 18.75,483 0.647,484 30.203,485 1.041,486 32.333,487 0.539,488 25.501,489 0.879,490 6.143,491 0.212,492 7.741,493 0.267,494 0.204,495 0.036,496 0.346,501 0.814,502 1.446,503 0.902,504 1.208,505 0.656,506 1.083,507 0.696,508 0.902,509 0.81,510 0.819,511 0.407,512 0.814,513 0.96,514 1.317,515 0.991,516 1.159,517 0.698,518 1.091,519 1.087,520 1.086,521 1.121,522 1.079,523 0.735,524 1.083,525 1.076,526 1.203,527 1.126,528 1.278,529 1.202,530 1.217,531 1.801,532 0.709,533 0.902,534 0.735,535 1.844,536 0.738,537 2.311,538 0.763,539 1.095,540 0.746,541 2.58,542 0.806,543 1.673,544 0.897,545 1.18,546 0.917,547 2.359,548 0.988,549 7,550 0.291,551 4.667,552 3.958,553 2.099,554 1.056,555 0.694,556 0.332,557 0.299,558 0.322,559 10427,560 20635,561 2.041,562 51.7,563 13,564 14,565 1,567 1,569 2,572 1.719,573 1.861,574 3.333,575 -0.405,582 84.039,583 1.401,584 3.297,585 4.581,586 5.044,587 5.044,588 5.044,589 2.697,590 4.582,591 4.836,592 3.545,593 1439.29,594 8.415,595 19389,600 354.413,601 1.694,602 4.757,603 0.219,604 0.01,605 0.097,606 0.075,607 0.044,608 0.028,609 0.022,610 0.011,611 0.01,612 0.012,613 0.528,614 0.33,615 1,616 0.904,617 146.533,618 0.013,619 -0.197,620 0.073,621 -0.069,622 -0.045,623 -0.004,624 0.304,625 0.254,626 0.19,627 0.21,628 0.244,629 0.193,630 -0.032,631 -0.209,632 -0.01,633 -0.103,634 0.011,635 -0.065,636 -0.112,637 -0.008,638 -0.129,639 -0.101,640 0.024,641 -0.106,642 0.025,643 -0.225,644 -0.135,645 -0.289,646 -0.009,647 -0.234,648 -0.064,649 0.107,650 0.149,651 0.177,652 -0.054,653 0.183,654 -0.185,655 0.148,656 -0.003,657 0.198,658 -0.225,659 0.118,660 -0.136,661 0.164,662 -0.138,663 0.075,664 -0.214,665 -0.021,666 2.1,667 5.69,668 0.621,669 23.886,670 0.989,671 1.129,672 3.946,673 15.574,674 0.643,675 3.497,676 3.892,677 4.248,678 4.585,679 4.779,680 4.836,681 4.984,682 5.043,683 5.056,684 5.165,685 6.551,686 0.598,687 393.58,688 3.497,689 5.081,690 5.979,691 6.911,692 7.829,693 8.768,694 9.697,695 10.639,696 11.575,697 12.521,698 5,701 1,704 1,705 1,715 6,720 6,722 12,736 1,737 1,741 60,743 13,744 2,745 32,747 63,748 24,749 12,750 6,751 6,756 4,757 7,763 3,764 1,766 1,767 1,770 3,772 13,773 11,777 1,782 1,786 1,793 31,794 5,795 1,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 5,868 29,876 4,877 1,878 1,880 1,881 2,882 1,893 3.3,896 1,898 1,901 15.583,902 12.317,903 6.375,904 3.975,907 2.318,908 1.294,909 0.957,910 5.345,911 10.204,912 3.689,913 4.277,914 4.836,915 5.392,916 5.87,917 6.041,918 6.34,919 6.567,920 6.715,921 6.949,922 0.857,923 53,924 10.783,926 4.591,927 0.026,929 7.543,931 21.186,933 17.953,936 2.043,937 59.25,941 353.133,942 136.911,943 24.259,945 36.145,948 136.911,949 389.278,950 24.259,951 43.268,952 27.72,953 56.857,954 25.145,955 37.562,956 18.534,957 341.362,959 353.133,960 161.171,961 36.145,964 329.591,965 59.687,968 57.32,969 103.851,972 353.133,973 60.404,974 136.911,977 353.133,978 36.785,979 106.374,980 18.011,981 36.145,982 353.133,983 60.404,984 136.911,986 0.593,987 0.376,988 0.216,989 0.113,990 25,991 12,992 0.079,993 5,994 2,995 1.222,996 3.884,997 267.358,998 0.222,999 18,1000 130.127,1005 20.243,1006 7.657,1007 3.324,1009 60.404,1010 12.172,1015 6.22,1017 18.011,1018 550.449,1019 39,1024 12.69,1028 -0.433,1031 59.33,1032 67.727,1034 0.237,1035 0.558,1036 0.776,1037 0.854,1038 0.854,1039 0.854,1040 4.99,1041 1.491,1042 6.028,1043 5.478,1044 4.575,1045 4.963,1046 2.466,1047 6.98,1048 4.506,1049 6.216,1050 1.376,1051 7.684,1052 4.386,1053 4.443,1054 4.913,1055 1.905,1056 8.349,1057 4.349,1058 7.563,1059 1.133,1060 9.455,1061 3.304,1062 6.337,1063 7.12,1064 3.531,1065 11.514,1066 6.212,1067 8.947,1068 0.864,1069 11.299,1070 3.06,1071 7.04,1072 7.843,1073 3.612,1074 13.773,1075 6.901,1076 10.368,1077 0.725,1078 13.195,1079 1.849,1080 8.483,1081 9.597,1082 4.913,1083 16.586,1084 8.321,1085 11.814,1086 0.396,1087 15.129,1088 1.648,1089 9.544,1090 10.669,1091 5.293,1092 19.165,1093 9.37,1094 13.282,1095 0.043,1096 17.092,1097 0.578,1098 10.862,1099 12.246,1100 6.388,1101 21.904,1102 10.668,1103 3.737,1104 -0.197,1105 19.079,1106 0.095,1107 12.07,1108 13.488,1109 6.931,1110 24.585,1111 11.861,1112 3.033,1113 15.306,1114 21.085,1115 -0.411,1116 13.364,1117 14.985,1118 7.902,1119 27.312,1120 13.137,1121 2.676,1122 10.217,1123 23.107,1124 4.206,1125 14.631,1126 16.313,1127 8.539,1128 30.024,1129 14.386,1130 2.449,1131 8.828,1132 25.14,1133 4.027,1134 15.927,1135 17.772,1136 9.436,1137 32.751,1138 15.662,1139 2.349,1140 8.458,1141 27.183,1142 3.315,1143 17.219,1144 19.144,1145 10.13,1146 35.473,1147 16.934,1148 2.061,1149 7.17,1150 29.234,1151 2.873,1152 18.522,1153 20.585,1154 10.981,1155 38.2,1156 18.216,1157 1.98,1158 6.02,1159 31.291,1160 2.604,1161 19.825,1162 21.98,1163 11.71,1164 40.927,1165 19.499,1166 10020,1167 14250,1168 20.69,1169 38.586,1170 48.907,1171 49.869,1172 52.722,1173 48.627,1174 48.628,1175 58.742,1176 8.422,1177 152.795,1178 46.966,1179 5.797,1180 5.973,1181 7.624,1182 5.809,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 17.042,1189 1.528,1190 1.558,1191 1.648,1192 1.52,1193 1.52,1194 1.836,1195 0.263,1196 4.775,1197 1.468,1198 4.095,1199 4.133,1200 4.042,1201 3.999,1202 7.435,1203 4.005,1204 3.968,1205 4,1206 3.909,1207 3.903,1208 4.842,1209 3.9,1210 3.701,1211 3.743,1212 3.618,1213 3.563,1214 4.72,1215 3.567,1216 3.478,1217 3.557,1218 3.341,1219 3.342,1220 4.446,1221 3.318,1222 3.403,1223 3.444,1224 3.284,1225 3.139,1226 4.143,1227 3.158,1228 3.294,1229 3.382,1230 3.101,1231 3.111,1232 4.069,1233 3.109,1234 3.272,1235 3.361,1236 3.068,1237 3.046,1238 3.965,1239 3.041,1240 3.227,1241 3.31,1242 3.035,1243 2.988,1244 3.911,1245 3.003,1246 0.151,1247 0.124,1248 0.25,1249 0.147,1250 0.117,1251 4.832,1252 0.131,1253 3.973,1254 0.068,1255 8.006,1256 0.478,1257 4.714,1258 0.114,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.957,1265 1.93,1266 2.077,1267 2.051,1268 1.31,1269 2.058,1270 1.901,1271 1.882,1272 2.003,1273 1.986,1274 1.279,1275 1.991,1276 1.633,1277 1.577,1278 1.832,1279 1.836,1280 1.057,1281 1.837,1282 1.534,1283 1.453,1284 1.822,1285 1.755,1286 1.012,1287 1.775,1288 1.513,1289 1.44,1290 1.787,1291 1.702,1292 1.012,1293 1.748,1294 1.331,1295 1.248,1296 1.66,1297 1.582,1298 0.749,1299 1.592,1300 1.255,1301 1.204,1302 1.58,1303 1.526,1304 0.644,1305 1.543,1306 1.149,1307 1.078,1308 1.453,1309 1.443,1310 0.563,1311 1.434,1312 4.174,1314 5.549,1315 3.045,1316 7.128,1317 5.638,1318 8.807,1319 7.921,1320 10.543,1322 10.839,1328 3.902,1329 2.989,1330 5.716,1332 0.352,1333 4.748,1334 0.054,1340 35.869,1341 84.039,1342 197.845,1343 274.865,1344 302.639,1345 302.639,1346 302.639,1347 48.403,1348 7.886,1349 44.81,1350 44.81,1351 22,1352 13.014,1353 3.807,1354 3,1355 44.824,1356 117,1357 91,1358 0.191,1359 219.297,1360 384.62,1361 526.844,1362 29469,1364 20.759,1365 0.716,1366 0.623,1367 20.759,1368 18.081,1369 13.884,1370 0.434,1371 0.33,1372 10.435,1373 13.434,1374 9.991,1375 8.37,1376 13.884,1377 10.559,1378 12.864,1379 0.268,1380 0.177,1381 12.864,1382 8.484,1383 11.434,1384 0.166,1385 0.098,1386 11.434,1387 6.738,1388 10.219,1389 0.105,1390 0.054,1391 10.219,1392 5.256,1393 7.968,1394 0.068,1395 0.029,1396 7.968,1397 3.467,1398 0.299,1399 86.39,1400 0.22,1401 27.252,1402 0.524,1403 160,1404 383.094,1405 173.359,1406 372.27,1407 524.16,1408 350,1409 197,1410 403.092,1411 210.975,1412 410.516,1413 610.37,1414 385,1415 5.824}
{0 CHEMBL335220,1 1.436,2 11,3 4.899,4 24.004,5 108.256,6 6.769,7 0.4,8 4.075,9 4.203,10 3.573,11 3.597,12 5.084,13 3.563,14 4.656,15 4.854,16 4.002,17 4.038,18 5.63,19 3.989,20 4.894,21 5.072,22 4.09,23 4.251,24 5.828,25 4.168,26 5.134,27 5.394,28 3.991,29 4.286,30 5.995,31 4.156,32 5.059,33 5.309,34 3.813,35 4.135,36 6.002,37 3.981,38 4.966,39 5.273,40 3.565,41 3.845,42 5.814,43 3.704,44 4.43,45 4.64,46 3.556,47 3.632,48 5.482,49 3.562,50 4.454,51 4.648,52 3.461,53 3.622,54 5.603,55 3.553,56 0.039,57 0.786,58 12.459,59 5.066,60 9.304,61 7.086,62 0.41,63 1.309,64 23.755,65 8.421,66 33.825,67 12.227,68 0.179,69 1.647,70 29.541,71 11.29,72 26.855,73 16.019,74 0.363,75 1.895,76 39.367,77 13.29,78 43.791,79 19.778,80 0.317,81 1.629,82 36.599,83 13.288,84 54.391,85 18.912,86 0.586,87 1.299,88 35.496,89 10.896,90 63.262,91 15.652,92 0.247,93 0.908,94 19.405,95 6.891,96 27.949,97 9.492,98 0.435,99 0.92,100 20.545,101 6.232,102 51.287,103 8.443,104 37,105 46,106 0.239,107 0.563,108 0.776,109 0.849,110 0.873,111 0.873,112 3.34,113 0.943,114 -4.75,115 -4.66,116 -4.38,121 40.7,122 3,123 1,125 1,126 2,127 1,130 1,144 6,145 3,146 3,161 1,176 11,179 2,180 7,183 2,185 2,187 13,192 8,197 3,200 11,206 9,211 3,214 5,218 1,219 11,224 3,227 2,231 1,232 3,237 1,239 4,243 1,244 4,247 1,249 2,251 10,255 1,259 1,264 10,269 2,277 11,281 1029,282 17.634,283 17.634,284 17.634,285 17.634,286 17.634,287 15.99,288 27.816,289 9.862,290 17.994,291 14.744,292 14.744,293 14.744,294 14.744,295 14.744,296 12.21,297 38.64,298 4.649,299 15.323,300 4.319,301 2.374,302 1.098,303 0.662,304 0.514,305 0.514,306 4.028,311 1,312 1,313 650,314 3.536,317 106.569,318 147.628,320 85.981,321 90.984,324 127.332,325 1.556,326 18.729,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 57.5,338 297,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 4.248,349 3.68,350 6.211,351 3.865,352 2.886,353 3.888,354 0.966,355 8.868,356 2.828,357 3.975,358 2.976,359 6.169,360 3.629,361 2.671,362 3.317,363 0.693,364 8.794,365 2.555,366 3.682,367 2.816,368 6.086,369 3.393,370 2.451,371 2.923,372 0.366,373 8.455,374 2.294,375 3.505,376 2.742,377 5.441,378 3.301,379 2.36,380 2.755,382 7.151,383 2.213,384 3.405,385 2.506,386 5.005,387 3.105,388 2.134,389 2.532,391 5.971,392 2.061,393 3.252,394 2.325,395 4.811,396 2.869,397 1.887,398 2.4,400 5.16,401 1.835,402 2.816,403 1.747,404 4.667,405 2.436,406 1.484,407 1.936,409 4.367,410 1.412,411 2.615,412 1.652,413 4.215,414 2.372,415 1.383,416 1.629,418 3.573,419 1.359,420 2.518,421 1.171,422 4.09,423 2.127,424 1.133,425 1.522,427 3.06,428 1.126,429 1.786,430 0.937,431 3.722,432 1.695,433 0.731,434 0.762,436 1.826,437 0.703,438 1.582,439 0.798,440 3.09,441 1.299,442 0.338,443 0.398,445 0.82,446 0.322,447 1.231,448 0.616,449 3.056,450 0.873,451 -0.075,452 -0.091,454 -0.194,455 -0.07,456 0.805,457 0.007,458 2.664,459 0.64,460 -0.3,461 -0.309,463 -0.743,464 -0.281,465 0.762,466 -0.031,467 2.493,468 0.486,469 -0.514,470 -0.621,472 -1.242,473 -0.514,474 12.867,475 0.477,476 0.966,477 0.036,478 32.75,479 1.213,480 15,481 0.556,482 17.75,483 0.657,484 25.95,485 0.961,486 29.733,487 0.551,488 24.25,489 0.898,490 6.245,491 0.231,492 6.547,493 0.242,494 0.22,495 0.039,496 0.373,501 0.812,502 1.441,503 0.864,504 1.184,505 0.656,506 1.049,507 0.697,508 0.847,509 0.759,510 0.747,511 0.38,512 0.744,513 1.015,514 1.43,515 1.118,516 1.297,517 0.751,518 1.233,519 1.017,520 0.991,521 1.069,522 1.018,523 0.684,524 1.027,525 1.059,526 1.229,527 1.1,528 1.299,529 1.23,530 1.226,531 1.753,532 0.533,533 0.834,534 0.535,535 1.712,536 0.581,537 1.388,538 1.051,539 0.925,540 1.029,541 1.396,542 0.951,543 2.569,544 0.84,545 1.43,546 0.849,547 3.472,548 0.995,549 7.5,550 0.192,551 4.444,552 3.833,553 1.859,554 0.819,555 0.694,556 0.325,557 0.336,558 0.278,559 8901,560 18513,561 2.044,562 50,563 9,564 14,565 1,567 1,569 2,572 1.698,573 1.851,574 3.368,575 -0.382,582 77.52,583 1.436,584 3.381,585 4.657,586 5.092,587 5.241,588 5.241,589 2.814,590 4.505,591 4.729,592 3.549,593 1245.79,594 8.193,595 15828.4,597 1,600 310.764,601 1.72,602 4.648,603 0.25,604 0.008,605 0.097,606 0.08,607 0.045,608 0.026,609 0.027,610 0.012,611 0.014,612 0.012,613 0.571,614 0.5,615 1,616 0.658,617 133.545,618 0.003,619 -0.213,620 0.075,621 -0.076,622 -0.061,623 -0.006,624 0.3,625 0.306,626 0.224,627 0.263,628 0.266,629 0.242,630 -0.086,631 -0.307,632 -0.162,633 -0.244,634 -0.039,635 -0.221,636 -0.095,637 0.036,638 -0.088,639 -0.06,640 0.051,641 -0.062,642 0.042,643 -0.295,644 -0.114,645 -0.31,646 0.013,647 -0.242,648 -0.093,649 0.275,650 0.235,651 0.362,652 -0.119,653 0.34,654 0.091,655 -0.06,656 0.099,657 -0.03,658 0.09,659 0.021,660 -0.369,661 0.194,662 -0.33,663 0.089,664 -0.48,665 -0.095,666 2.126,667 5.391,668 0.667,669 22.642,670 0.992,671 1.128,672 3.52,673 12.394,674 0.649,675 3.434,676 3.85,677 4.174,678 4.511,679 4.71,680 4.771,681 4.934,682 4.99,683 5.011,684 5.081,685 6.406,686 0.608,687 365.52,688 3.434,689 5.03,690 5.922,691 6.855,692 7.769,693 8.708,694 9.634,695 10.578,696 11.513,697 12.461,698 5.6,701 1,704 1,705 1,715 6,720 6,722 12,736 1,737 1,741 54,743 13,744 2,745 30,747 57,748 22,749 12,750 6,751 6,756 4,757 7,763 3,764 1,766 1,767 1,770 1,772 13,773 9,777 1,782 1,786 1,793 27,794 5,795 1,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 5,868 27,876 2,877 1,878 1,880 1,881 2,882 1,893 3.7,896 1,898 1,901 14.583,902 11.317,903 5.681,904 3.218,907 2.206,908 1.285,909 0.963,910 4.438,911 9.938,912 3.638,913 4.248,914 4.775,915 5.329,916 5.816,917 5.976,918 6.276,919 6.514,920 6.66,921 6.863,922 1,923 48,924 10.016,926 4.296,927 0.026,929 7.583,931 19.553,933 16.625,936 2.083,937 56.25,939 1,940 1,941 306.049,942 131.842,943 24.259,945 36.145,948 131.842,949 342.193,950 24.259,951 43.268,952 22.651,953 56.857,954 25.145,955 37.562,956 18.534,957 294.278,959 306.049,960 156.102,961 36.145,964 282.506,965 59.687,968 52.251,969 103.851,972 306.049,973 60.404,974 131.842,977 306.049,978 31.716,979 106.374,980 18.011,981 36.145,982 306.049,983 60.404,984 131.842,986 0.608,987 0.365,988 0.203,989 0.107,990 25,991 12,992 0.053,993 3,994 2,995 1.222,996 3.767,997 242.026,998 0.222,999 18,1000 126.382,1005 18.33,1006 6.537,1007 3.01,1009 60.404,1010 11.897,1015 6.023,1017 18.011,1018 498.295,1019 37,1024 12.391,1028 -0.46,1031 53.563,1032 60.896,1034 0.249,1035 0.587,1036 0.809,1037 0.885,1038 0.911,1039 0.911,1040 4.949,1041 1.484,1042 5.984,1043 5.16,1044 4.533,1045 4.934,1046 2.466,1047 6.929,1048 4.461,1049 6.187,1050 1.383,1051 7.637,1052 4.367,1053 4.443,1054 4.913,1055 1.905,1056 8.287,1057 4.349,1058 7.536,1059 1.133,1060 9.404,1061 3.573,1062 6.293,1063 7.09,1064 3.531,1065 11.45,1066 6.163,1067 8.918,1068 0.731,1069 11.244,1070 3.06,1071 7.004,1072 7.798,1073 3.612,1074 13.717,1075 6.862,1076 10.334,1077 0.338,1078 13.136,1079 1.826,1080 8.435,1081 9.545,1082 4.913,1083 16.539,1084 8.267,1085 11.775,1086 -0.075,1087 15.069,1088 0.82,1089 9.498,1090 10.591,1091 5.293,1092 19.13,1093 9.319,1094 13.237,1095 -0.3,1096 17.033,1097 -0.194,1098 10.814,1099 12.167,1100 6.388,1101 21.878,1102 10.616,1103 3.737,1104 -0.514,1105 19.024,1106 -0.743,1107 12.025,1108 13.385,1109 6.931,1110 24.566,1111 11.813,1112 2.886,1113 15.306,1114 21.034,1115 -1.242,1116 13.322,1117 14.881,1118 7.902,1119 27.298,1120 13.091,1121 2.671,1122 8.868,1123 23.06,1124 4.206,1125 14.593,1126 16.191,1127 8.539,1128 30.015,1129 14.344,1130 2.451,1131 8.794,1132 25.098,1133 3.888,1134 15.893,1135 17.648,1136 9.436,1137 32.744,1138 15.625,1139 2.36,1140 8.455,1141 27.147,1142 3.317,1143 17.189,1144 19.007,1145 10.13,1146 35.469,1147 16.902,1148 2.134,1149 7.151,1150 29.202,1151 2.923,1152 18.496,1153 20.445,1154 10.981,1155 38.197,1156 18.188,1157 1.887,1158 5.971,1159 31.264,1160 2.755,1161 19.803,1162 21.833,1163 11.71,1164 40.925,1165 19.475,1166 8495,1167 12397,1168 19.304,1169 35.063,1170 46.832,1171 47.766,1172 49.427,1173 46.407,1174 46.391,1175 56.535,1176 8.422,1177 146.702,1178 44.724,1179 5.797,1180 5.973,1181 7.311,1182 5.806,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 16.243,1189 1.561,1190 1.592,1191 1.648,1192 1.547,1193 1.546,1194 1.885,1195 0.281,1196 4.89,1197 1.491,1198 4.094,1199 4.131,1200 4.041,1201 3.997,1202 7.435,1203 4.003,1204 3.948,1205 3.98,1206 3.888,1207 3.883,1208 4.843,1209 3.879,1210 3.701,1211 3.743,1212 3.618,1213 3.563,1214 4.735,1215 3.567,1216 3.424,1217 3.466,1218 3.358,1219 3.18,1220 4.446,1221 3.204,1222 3.288,1223 3.38,1224 3.118,1225 3.083,1226 4.149,1227 3.082,1228 3.25,1229 3.342,1230 3.053,1231 3.044,1232 4.001,1233 3.034,1234 3.204,1235 3.282,1236 3.015,1237 2.987,1238 3.904,1239 2.989,1240 3.02,1241 3.093,1242 2.837,1243 2.82,1244 3.876,1245 2.825,1246 0.161,1247 0.132,1248 0.267,1249 0.157,1250 0.125,1251 4.832,1252 0.14,1253 3.973,1254 0.073,1255 8.006,1256 0.51,1257 4.714,1258 0.122,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.939,1265 1.912,1266 2.056,1267 2.035,1268 1.31,1269 2.041,1270 1.9,1271 1.88,1272 2.003,1273 1.984,1274 1.185,1275 1.99,1276 1.633,1277 1.577,1278 1.832,1279 1.836,1280 1.057,1281 1.837,1282 1.534,1283 1.453,1284 1.787,1285 1.755,1286 1.012,1287 1.775,1288 1.334,1289 1.274,1290 1.639,1291 1.597,1292 0.722,1293 1.587,1294 1.241,1295 1.168,1296 1.58,1297 1.497,1298 0.644,1299 1.534,1300 1.165,1301 1.084,1302 1.461,1303 1.437,1304 0.563,1305 1.452,1306 1.015,1307 0.937,1308 1.453,1309 1.291,1310 0.503,1311 1.354,1312 4.111,1314 5.501,1315 3.045,1316 7.081,1317 5.638,1318 8.755,1319 7.921,1320 10.486,1322 10.635,1328 2.174,1329 2.845,1330 5.602,1332 0.354,1333 4.731,1334 0.058,1340 32.815,1341 77.52,1342 182.551,1343 251.48,1344 274.989,1345 282.989,1346 282.989,1347 41.709,1348 7.731,1349 44.81,1350 44.81,1351 22,1352 12.954,1353 3.807,1354 3,1355 40.421,1356 105,1357 108,1358 0.191,1359 200.112,1360 350.02,1361 480.033,1362 24025,1364 19.345,1365 0.716,1366 0.617,1367 19.345,1368 16.667,1369 12.792,1370 0.426,1371 0.314,1372 9.308,1373 12.339,1374 8.851,1375 7.42,1376 12.792,1377 9.431,1378 12.588,1379 0.274,1380 0.177,1381 12.588,1382 8.144,1383 10.664,1384 0.167,1385 0.096,1386 10.664,1387 6.131,1388 9.496,1389 0.106,1390 0.053,1391 9.496,1392 4.815,1393 7.346,1394 0.067,1395 0.028,1396 7.346,1397 3.118,1398 0.3,1399 79.833,1400 0.228,1401 25.79,1402 0.521,1403 152,1404 375.094,1405 165.359,1406 365.078,1407 510.26,1408 342,1409 186,1410 390.092,1411 199.808,1412 399.725,1413 589.36,1414 372,1415 7.854}
{0 CHEMBL335329,1 1.401,2 12.286,3 4.188,4 17.536,5 111.72,6 7.41,7 0.548,8 3.995,9 4.106,10 3.57,11 3.612,12 5.092,13 3.577,14 4.518,15 4.679,16 3.9,17 4,18 5.568,19 3.943,20 4.781,21 4.975,22 3.917,23 4.106,24 5.838,25 4.012,26 4.851,27 5.089,28 3.826,29 4.028,30 5.898,31 3.927,32 4.699,33 4.912,34 3.817,35 4.01,36 5.731,37 3.916,38 4.769,39 4.997,40 3.758,41 4.025,42 5.771,43 3.908,44 4.663,45 4.903,46 3.612,47 3.911,48 5.614,49 3.778,50 4.548,51 4.79,52 3.549,53 3.727,54 5.726,55 3.624,56 0.018,57 0.663,58 9.676,59 4.578,60 5.545,61 5.968,62 0.16,63 1.128,64 17.999,65 7.417,66 12.651,67 9.895,68 0.138,69 1.383,70 24.989,71 10.447,72 34.254,73 13.894,74 0.377,75 1.449,76 29.641,77 10.873,78 61.066,79 14.448,80 0.17,81 1.274,82 23.75,83 9.608,84 36.783,85 12.908,86 0.324,87 1.357,88 26.395,89 10.332,90 46.088,91 13.877,92 0.139,93 1.205,94 23.566,95 9.766,96 29.296,97 13.425,98 0.363,99 1.048,100 22.023,101 8.259,102 66.556,103 11.125,104 5,105 42,106 0.233,107 0.528,108 0.701,109 0.814,110 0.852,111 0.859,112 3.374,113 0.916,114 -4.32,115 -4.25,116 -4.01,121 48,123 1,127 3,137 1,138 1,144 11,145 3,153 2,158 1,160 1,176 15,179 1,180 9,187 15,192 9,200 8,205 1,206 11,214 5,219 6,227 11,231 2,232 3,239 14,244 2,251 13,255 2,256 6,264 9,269 7,277 6,281 1270,282 19.223,283 19.223,284 19.223,285 19.223,286 19.223,287 16.799,288 18.885,289 11.599,290 19.372,291 15.339,292 15.339,293 15.339,294 15.339,295 15.339,296 11.662,297 24.107,298 5.588,299 15.552,300 4.243,301 2.467,302 1.431,303 0.75,304 0.52,305 0.48,306 4.073,311 1,312 1,313 752,314 2.915,317 79.54,318 295.819,325 1.949,326 23.016,328 1,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 59,338 344,339 4.382,340 3.666,341 6.409,342 4,343 3.019,344 3.995,345 1.277,346 9.762,347 2.965,348 4.193,349 3.652,350 6.115,351 3.888,352 2.893,353 3.62,354 0.995,355 8.983,356 2.883,357 3.929,358 2.98,359 5.546,360 3.572,361 2.585,362 3.457,363 0.98,364 7.563,365 2.548,366 3.855,367 2.626,368 5.464,369 3.448,370 2.451,371 3.335,372 0.359,373 7.166,374 2.44,375 3.387,376 2.452,377 4.999,378 3.033,379 2.078,380 2.67,382 5.901,383 1.974,384 3.248,385 2.196,386 4.94,387 2.935,388 1.941,389 2.337,391 5.548,392 1.917,393 2.958,394 2.006,395 4.176,396 2.508,397 1.502,398 2.072,400 3.765,401 1.505,402 2.83,403 1.578,404 3.83,405 2.411,406 1.414,407 1.939,409 3.176,410 1.408,411 2.712,412 1.509,413 3.592,414 2.319,415 1.33,416 1.703,418 3.035,419 1.312,420 2.5,421 1.323,422 3.349,423 2,424 1,425 1.5,427 2.136,428 1,429 2.5,430 1.069,431 3.247,432 2,433 1,434 1.5,436 2.136,437 1,438 2.339,439 1,440 3.247,441 1.825,442 0.817,443 1.181,445 1.952,446 0.817,447 2.137,448 1,449 3.226,450 1.568,451 0.556,452 0.865,454 1.394,455 0.558,456 1.659,457 0.728,458 2.938,459 1.341,460 0.318,461 0.393,463 0.754,464 0.322,465 1.211,466 0.246,467 2.853,468 0.913,469 -0.064,470 -0.078,472 -0.177,473 -0.062,474 13.467,475 0.481,476 0.571,477 0.02,478 38,479 1.357,480 20.5,481 0.732,482 17.5,483 0.625,484 20.179,485 0.721,486 28.533,487 0.571,488 28.263,489 1.009,490 7.81,491 0.279,492 5.876,493 0.21,494 0.05,496 0.282,501 0.605,502 1.219,503 0.764,504 1.008,505 0.504,506 0.92,507 0.81,508 1.048,509 0.958,510 0.964,511 0.588,512 0.961,513 0.96,514 1.249,515 1.062,516 1.211,517 0.911,518 1.159,519 1.424,520 0.909,521 1.022,522 0.869,523 1.456,524 0.895,525 0.978,526 1.058,527 0.968,528 1.013,529 0.907,530 0.991,531 1.073,532 0.889,533 1.07,534 0.952,535 1.118,536 1.001,537 0.722,538 1.044,539 0.965,540 1.084,541 0.723,542 1.058,543 1.083,544 0.802,545 0.895,546 0.829,547 1.165,548 0.839,549 5,550 0.114,551 2.444,552 1.785,553 1.201,554 0.608,555 0.542,556 0.362,557 0.23,558 0.154,559 10900,560 26626,561 2.137,562 44,564 18,565 2,568 2,572 1.708,573 2.049,574 3.597,575 -0.848,577 1,582 70.046,583 1.401,584 3.177,585 4.213,586 4.894,587 5.124,588 5.164,589 3.053,590 4.236,591 4.778,592 3.742,593 1414.52,594 8.296,595 19204.6,597 1,599 1,600 282.193,601 1.198,602 4.76,603 0.161,604 0.005,605 0.058,606 0.045,607 0.033,608 0.016,609 0.016,610 0.012,611 0.009,612 0.006,613 0.362,614 0.33,615 1,616 0.444,617 142.464,618 0.011,619 -0.149,620 0.058,621 -0.037,622 -0.017,623 0.004,624 -0.002,625 0.049,626 -0.067,627 -0.021,628 -0.012,629 -0.043,630 -0.028,631 -0.256,632 -0.118,633 -0.237,634 0.007,635 -0.196,636 -0.08,637 0.077,638 0.017,639 0.094,640 -0.086,641 0.07,642 -0.044,643 -0.064,644 -0.003,645 -0.038,646 -0.007,647 -0.019,648 -0.025,649 0.101,650 -0.078,651 0.021,652 -0.089,653 -0.027,654 0.027,655 -0.093,656 0.009,657 -0.089,658 0.021,659 -0.048,660 0.21,661 0.157,662 0.148,663 0.149,664 0.206,665 0.144,666 1.745,667 5.539,668 0.821,669 28.74,670 0.994,671 1.111,672 3.086,673 9.526,674 0.691,675 3.466,676 3.761,677 4.007,678 4.234,679 4.419,680 4.407,681 4.533,682 4.654,683 4.71,684 4.779,685 7.136,686 0.655,687 370.48,688 3.466,689 4.99,690 5.826,691 6.683,692 7.533,693 8.395,694 9.25,695 10.114,696 10.973,697 11.838,698 4,701 1,706 1,715 13,720 3,721 1,722 17,741 50,743 20,744 2,745 31,747 53,748 24,749 16,750 2,751 10,752 4,756 4,757 4,767 1,770 1,772 20,773 4,777 3,782 2,784 1,786 3,790 1,793 22,794 3,796 4,802 2,808 1,809 2,824 1,828 1,829 3,841 1,849 1,850 1,855 1,859 4,868 28,876 4,881 1,893 4,896 2,901 13.667,902 8.9,903 6.167,904 2.983,907 3.421,908 1.456,909 1.009,910 5.43,911 10.93,912 3.773,913 4.321,914 4.863,915 5.356,916 5.775,917 5.91,918 6.263,919 6.596,920 6.858,921 7.157,922 1,923 40,924 10.389,926 4.433,927 0.026,929 7.714,931 19.983,933 16.511,936 2.214,937 62,939 1,940 1,941 258.964,942 163.242,943 5.023,945 50.29,948 163.242,949 309.254,950 5.023,952 8.852,953 131.81,954 60.128,955 17.766,956 23.542,957 235.422,959 258.964,960 168.265,961 50.29,964 258.964,965 50.29,968 13.875,969 144.914,970 9.476,972 258.964,973 55.313,974 163.242,977 258.964,978 31.432,979 136.833,981 50.29,982 258.964,983 55.313,984 163.242,986 0.574,987 0.332,988 0.176,989 0.095,990 20,991 8,992 0.075,993 4,995 1,996 4.126,997 236.403,999 23,1000 126.606,1005 18.305,1006 8.305,1007 4.447,1009 53.414,1010 24.877,1015 2.755,1016 1.566,1018 477.519,1019 42.5,1024 24.929,1026 1.911,1028 0.907,1031 49.694,1032 55.567,1034 0.248,1035 0.563,1036 0.746,1037 0.867,1038 0.908,1039 0.915,1040 4.985,1041 1.414,1042 5.784,1043 3.765,1044 4.443,1045 5.007,1046 2.108,1047 6.541,1048 4.417,1049 6.168,1050 1.33,1051 7.306,1052 3.176,1053 3.892,1054 4.575,1055 0.325,1056 7.294,1057 3.859,1058 7.448,1059 1,1060 8.926,1061 3.035,1062 5.984,1063 7.104,1064 2.264,1065 10.385,1066 5.93,1067 8.762,1068 1,1069 10.605,1070 2.136,1071 6.275,1072 7.516,1073 0.504,1074 11.967,1075 6.219,1076 10.107,1077 0.817,1078 12.321,1079 2.136,1080 7.794,1081 9.459,1082 2.539,1083 14.542,1084 7.715,1085 11.474,1086 0.556,1087 14.064,1088 1.952,1089 8.48,1090 10.279,1091 0.585,1092 16.476,1093 8.4,1094 12.858,1095 0.318,1096 15.826,1097 1.394,1098 9.753,1099 11.952,1100 2.889,1101 18.861,1102 9.653,1103 3.019,1104 -0.064,1105 17.601,1106 0.754,1107 10.637,1108 12.993,1109 0.622,1110 20.959,1111 10.531,1112 2.893,1113 9.762,1114 19.387,1115 -0.177,1116 11.799,1117 14.524,1118 3.289,1119 23.268,1120 11.677,1121 2.585,1122 8.983,1123 21.182,1124 3.995,1125 12.782,1126 15.692,1127 0.639,1128 25.446,1129 12.65,1130 2.451,1131 7.563,1132 22.984,1133 3.62,1134 13.896,1135 17.147,1136 3.722,1137 27.724,1138 13.749,1139 2.078,1140 7.166,1141 24.792,1142 3.457,1143 14.929,1144 18.392,1145 0.646,1146 29.943,1147 14.77,1148 1.941,1149 5.901,1150 26.605,1151 3.335,1152 16.024,1153 19.805,1154 4.176,1155 32.21,1156 15.85,1157 1.502,1158 5.548,1159 28.422,1160 2.67,1161 17.082,1162 21.098,1163 0.648,1164 34.45,1165 16.895,1166 10221,1167 16097,1168 21.266,1169 34.534,1170 46.869,1171 47.948,1172 46.571,1173 45.873,1174 45.806,1175 61.134,1176 7.222,1177 126.542,1178 45.299,1179 5.382,1180 5.666,1181 6.211,1182 5.036,1183 5.019,1184 6.995,1185 2.555,1186 16.597,1187 4.965,1188 9.534,1189 1.512,1190 1.547,1191 1.502,1192 1.48,1193 1.478,1194 1.972,1195 0.233,1196 4.082,1197 1.461,1198 4.053,1199 4.088,1200 4.005,1201 3.943,1202 7.43,1203 3.951,1204 3.931,1205 3.968,1206 3.859,1207 3.852,1208 7.425,1209 3.848,1210 3.855,1211 3.884,1212 3.787,1213 3.791,1214 4.798,1215 3.786,1216 3.753,1217 3.797,1218 3.674,1219 3.613,1220 4.746,1221 3.623,1222 3.284,1223 3.333,1224 3.194,1225 3.121,1226 4.697,1227 3.128,1228 3.208,1229 3.266,1230 3.101,1231 3.035,1232 4.277,1233 3.035,1234 3.07,1235 3.103,1236 2.936,1237 2.922,1238 3.876,1239 2.923,1240 2.854,1241 2.925,1242 2.708,1243 2.735,1244 3.674,1245 2.715,1246 0.141,1247 0.118,1248 0.207,1249 0.129,1250 0.097,1251 4.382,1252 0.129,1253 3.666,1254 0.041,1255 6.409,1256 0.315,1257 4,1258 0.096,1259 3.019,1260 3.995,1261 1.277,1262 9.762,1263 2.965,1264 1.93,1265 1.897,1266 2.063,1267 2.05,1268 1.296,1269 2.056,1270 1.909,1271 1.884,1272 2.022,1273 2.009,1274 1.105,1275 2.011,1276 1.821,1277 1.792,1278 1.958,1279 1.931,1280 1.083,1281 1.943,1282 1.52,1283 1.476,1284 1.692,1285 1.72,1286 0.876,1287 1.694,1288 1.486,1289 1.434,1290 1.609,1291 1.636,1292 0.7,1293 1.656,1294 1.202,1295 1.142,1296 1.475,1297 1.424,1298 0.655,1299 1.439,1300 1.101,1301 1.038,1302 1.365,1303 1.276,1304 0.561,1305 1.31,1306 0.909,1307 0.867,1308 1.181,1309 1.096,1310 0.24,1311 1.107,1312 4.143,1314 5.442,1315 2.398,1316 6.93,1317 4.595,1318 8.498,1319 6.581,1320 10.104,1328 2.769,1333 2.286,1340 32.74,1341 70.046,1342 158.836,1343 210.629,1344 244.683,1345 256.193,1346 258.193,1347 47.168,1348 7.509,1349 42.31,1350 42.31,1351 23,1352 12.386,1353 4.392,1354 3.644,1355 42.558,1356 120,1357 112,1358 0.171,1359 200.793,1360 352.16,1361 481.694,1362 20244,1364 19.347,1365 0.691,1366 0.558,1367 19.347,1368 15.622,1369 13.687,1370 0.442,1371 0.305,1372 9.383,1373 13.36,1374 9.162,1375 7.598,1376 13.687,1377 9.467,1378 12.088,1379 0.288,1380 0.168,1381 12.088,1382 7.062,1383 10.217,1384 0.189,1385 0.092,1386 10.217,1387 4.968,1388 8.228,1389 0.121,1390 0.051,1391 8.228,1392 3.487,1393 6.566,1394 0.08,1395 0.029,1396 6.566,1397 2.364,1398 0.273,1399 84.462,1400 0.217,1401 27.144,1402 0.454,1403 146,1404 390.761,1405 154.814,1406 385.09,1407 523.8,1408 360,1409 169,1410 377.907,1411 179.147,1412 388.684,1413 563.11,1414 365,1415 4.523}
{0 CHEMBL335355,1 1.469,2 8.045,3 4.247,4 18.039,5 84.067,6 7.509,7 0.44,8 3.799,9 3.92,10 3.374,11 3.404,12 4.89,13 3.374,14 4.381,15 4.548,16 3.81,17 3.866,18 5.444,19 3.815,20 4.724,21 4.931,22 3.956,23 4.056,24 5.768,25 3.986,26 4.795,27 5.027,28 3.965,29 4.017,30 6.072,31 3.929,32 4.754,33 5.011,34 3.641,35 3.914,36 5.73,37 3.792,38 4.656,39 4.941,40 3.512,41 3.747,42 5.632,43 3.603,44 4.436,45 4.709,46 3.194,47 3.432,48 5.573,49 3.321,50 4.059,51 4.349,52 2.869,53 3,54 5.208,55 2.897,56 0.031,57 0.72,58 7.964,59 4.025,60 9.704,61 5.004,62 0.054,63 1.226,64 15.618,65 7.439,66 18.527,67 9.525,68 0.204,69 1.652,70 24.109,71 9.949,72 41.642,73 12.821,74 0.581,75 1.832,76 27.227,77 10.173,78 104.152,79 13.976,80 0.344,81 1.516,82 26.885,83 9.459,84 63.832,85 12.845,86 0.275,87 1.35,88 25.505,89 9.676,90 58.101,91 13.324,92 0.417,93 1.214,94 21.557,95 7.219,96 80.507,97 8.526,98 0.226,99 0.82,100 14.778,101 4.838,102 43.001,103 6.046,104 18,105 38,106 0.261,107 0.645,108 0.811,109 0.88,110 0.88,111 0.88,112 3.149,113 0.94,114 -5.37,115 -5.26,116 -4.91,121 45,122 1,123 4,124 2,137 1,138 1,144 2,145 2,146 3,148 2,165 1,166 1,167 1,176 10,180 4,185 2,187 18,189 2,192 2,197 1,200 12,203 1,206 4,208 1,209 1,211 5,214 13,216 5,219 1,224 2,227 8,229 2,232 1,237 2,239 8,241 2,244 1,249 1,251 4,253 1,264 3,277 2,281 500,282 14.782,283 14.782,284 14.782,285 14.782,286 14.782,287 13.164,288 16.347,289 8.313,290 14.96,291 12.3,292 12.3,293 12.3,294 12.3,295 12.3,296 9.713,297 15.889,298 3.91,299 12.642,300 3.853,301 1.69,302 0.757,303 0.369,304 0.369,305 0.369,306 3.845,311 1,312 1,313 390,314 2.449,318 140.623,320 47.373,322 113.907,324 68.827,325 1.24,326 31.966,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 48,338 177,339 4.728,340 3.536,341 7.018,342 4.321,343 3.34,344 4.67,345 0.68,346 11.958,347 3.278,348 4.212,349 3.226,350 6.434,351 3.911,352 2.928,353 3.689,355 9.908,356 2.875,357 3.856,358 2.884,359 5.611,360 3.478,361 2.495,362 3.166,364 7.64,365 2.45,366 3.599,367 2.687,368 5.419,369 3.222,370 2.254,371 3.013,373 6.931,374 2.187,375 3.435,376 2.478,377 5.119,378 3.04,379 2.085,380 2.774,382 6.121,383 1.974,384 3.153,385 2.309,386 5.023,387 2.955,388 1.988,389 2.252,391 5.853,392 1.911,393 2.936,394 2.011,395 4.844,396 2.679,397 1.701,398 1.983,400 5.182,401 1.657,402 2.772,403 1.812,404 4.644,405 2.479,406 1.546,407 1.803,409 4.396,410 1.423,411 1.593,412 0.677,413 3.451,414 1.436,415 0.436,416 0.461,418 0.745,419 0.436,420 1.467,421 0.59,422 3.104,423 1.217,424 0.241,425 0.282,427 0.641,428 0.233,429 1.343,430 0.289,431 2.838,432 0.95,438 1.07,439 0.255,440 2.796,441 0.763,442 -0.165,443 -0.197,445 -0.44,446 -0.15,447 0.839,448 0.102,449 2.638,450 0.484,451 -0.459,452 -0.556,454 -1.201,455 -0.406,456 0.505,457 -0.453,458 2.429,459 0.275,460 -0.65,461 -0.701,463 -1.617,464 -0.586,465 0.326,466 -0.561,467 2.157,468 0.137,469 -0.818,470 -0.927,472 -2.218,473 -0.79,474 10.371,475 0.471,476 0.695,477 0.032,478 25.25,479 1.148,480 11.5,481 0.523,482 13.75,483 0.625,484 20.985,485 0.954,486 23.829,487 0.596,488 16.82,489 0.765,490 4.411,491 0.201,492 6.152,493 0.28,494 0.142,496 0.482,499 2,501 0.553,502 0.87,503 0.734,504 0.928,505 0.554,506 0.886,507 0.514,508 0.951,509 0.706,510 1.02,511 0.463,512 0.942,513 0.79,514 1.016,515 0.902,516 1.048,517 0.769,518 1.014,519 0.45,520 0.858,521 0.825,522 1.067,523 0.443,524 1.051,525 0.854,526 0.849,527 1.116,528 0.994,529 0.811,530 1.074,531 0.577,532 0.871,533 0.769,534 0.988,535 0.606,536 0.95,537 1.77,538 1.18,539 1.352,540 0.98,541 1.824,542 1.039,543 1.442,544 1.161,545 1.07,546 0.935,547 1.437,548 0.91,549 5.5,550 0.029,551 2,552 2.75,553 1.813,554 1.139,555 0.423,556 0.349,557 0.135,558 0.061,559 4423,560 11427,561 2.12,562 45,563 11,564 3,567 2,568 2,572 1.651,573 1.941,574 2.966,575 0.259,577 1,582 58.76,583 1.469,584 3.632,585 4.565,586 4.953,587 4.953,588 4.953,589 2.495,590 4.152,591 4.431,592 3.053,593 705.32,594 7.643,595 7207.32,597 1,599 1,600 212.877,601 1.495,602 4.373,603 0.22,604 0.014,605 0.053,606 0.065,607 0.046,608 0.041,609 0.018,610 0.022,611 0.012,612 0.012,613 0.504,614 0.67,615 1,616 0.853,617 97.51,618 -0.037,619 0.066,620 0.028,621 0.105,622 -0.035,623 0.092,624 0.028,625 -0.073,626 0.111,627 0.006,628 0.07,629 0.059,630 -0.039,631 -0.099,632 -0.008,633 -0.061,634 -0.038,635 -0.035,636 0.319,637 0.018,638 0.104,639 -0.116,640 0.302,641 -0.083,642 -0.105,643 -0.016,644 -0.172,645 -0.07,646 -0.089,647 -0.115,648 0.124,649 -0.099,650 0.206,651 -0.016,652 0.097,653 0.078,654 -0.249,655 0.023,656 -0.247,657 -0.009,658 -0.275,659 -0.094,660 -0.11,661 -0.096,662 0.031,663 0.01,664 -0.102,665 0.049,666 2.285,667 6.171,668 0.773,669 13.769,670 1.005,671 1.135,672 4.144,673 17.175,674 0.668,675 3.258,676 3.664,677 4.007,678 4.394,679 4.691,680 4.92,681 5.069,682 5.293,683 5.361,684 5.464,685 4.632,686 0.639,687 300.38,688 3.258,689 4.844,690 5.74,691 6.673,692 7.584,693 8.525,694 9.441,695 10.385,696 11.304,697 12.249,698 5,702 1,708 1,714 2,715 2,716 1,720 5,722 11,733 1,740 2,741 40,743 12,744 1,745 25,747 43,748 18,749 9,750 4,751 2,756 4,757 10,763 1,767 3,768 2,770 4,772 11,773 7,774 2,777 1,784 1,786 1,790 1,791 2,793 18,794 4,795 2,796 4,802 2,808 0.25,822 1,829 4,831 1,833 2,835 1,849 1,850 1,859 1,864 1,866 2,868 22,869 1,876 4,880 2,892 2,901 11.333,902 7.486,903 4.667,904 2.72,907 2.755,908 1.359,909 1.038,910 3.056,911 10.418,912 3.481,913 4.167,914 4.81,915 5.474,916 6.082,917 6.547,918 6.947,919 7.43,920 7.791,921 8.029,922 0.833,923 42,924 8.268,926 3.806,927 0.026,929 7.909,931 15.808,933 14.154,936 2.409,937 53,941 188.338,942 82.236,943 49.683,946 29.92,948 82.236,949 188.338,950 79.603,951 8.825,952 10.138,953 61.326,954 16.786,955 34.844,956 29.92,957 188.338,959 188.338,960 131.919,961 29.92,964 218.258,968 23.864,969 81.793,970 26.262,972 218.258,973 49.683,974 82.236,977 188.338,978 44.982,979 37.254,981 79.603,982 188.338,983 79.603,984 82.236,986 0.599,987 0.363,988 0.214,989 0.119,990 22,991 10,992 0.023,993 1,994 4,995 1.412,996 3.268,997 193.865,998 0.471,999 16,1000 98.107,1005 13.842,1006 4.857,1007 2.093,1008 0.597,1009 79.603,1010 2.156,1011 4.542,1015 1.141,1017 32.897,1018 350.176,1019 31.5,1026 2.355,1028 1.45,1031 40.181,1032 45.413,1034 0.276,1035 0.682,1036 0.858,1037 0.931,1038 0.931,1039 0.931,1040 4.777,1041 1.546,1042 5.771,1043 5.182,1044 4.344,1045 4.852,1046 0.655,1047 6.671,1048 4.291,1049 6.024,1050 0.436,1051 7.382,1052 4.396,1053 4.111,1054 4.89,1056 7.689,1057 4.018,1058 7.374,1059 0.241,1060 9.087,1061 0.745,1062 6.023,1063 7.151,1064 0.356,1065 10.854,1066 5.935,1067 8.754,1069 10.845,1070 0.641,1071 6.538,1072 7.971,1074 12.682,1075 6.418,1076 10.165,1077 -0.165,1078 12.639,1080 7.984,1081 9.777,1082 0.18,1083 15.393,1084 7.864,1085 11.597,1086 -0.459,1087 14.459,1088 -0.44,1089 8.86,1090 10.977,1092 17.59,1093 8.713,1094 13.047,1095 -0.65,1096 16.299,1097 -1.201,1098 10.13,1099 12.611,1100 0.087,1101 20.14,1102 9.977,1103 3.34,1104 -0.818,1105 18.156,1106 -1.617,1107 11.178,1108 13.994,1110 22.495,1111 11.002,1112 2.928,1113 11.958,1114 20.028,1115 -2.218,1116 12.387,1117 15.563,1118 0.041,1119 24.99,1120 12.199,1121 2.495,1122 9.908,1123 21.911,1124 4.67,1125 13.513,1126 17.031,1128 27.412,1129 13.304,1130 2.254,1131 7.64,1132 23.804,1133 3.689,1134 14.703,1135 18.578,1136 0.019,1137 29.889,1138 14.479,1139 2.085,1140 6.931,1141 25.705,1142 3.166,1143 15.865,1144 20.084,1146 32.34,1147 15.621,1148 1.988,1149 6.121,1150 27.613,1151 3.013,1152 17.053,1153 21.624,1154 0.009,1155 34.814,1156 16.791,1157 1.701,1158 5.853,1159 29.526,1160 2.774,1161 18.231,1162 23.148,1164 37.278,1165 17.951,1166 4251,1167 7001,1168 16.531,1169 26.739,1170 38.466,1171 38.995,1172 40.532,1173 38.199,1174 38.029,1175 48.183,1176 1.36,1177 118.746,1178 36.849,1179 5.682,1180 5.536,1181 6.551,1182 5.364,1183 5.34,1184 7.67,1185 1.36,1186 19.563,1187 5.278,1188 11.261,1189 1.539,1190 1.56,1191 1.621,1192 1.528,1193 1.521,1194 1.927,1195 0.054,1196 4.75,1197 1.474,1198 4.141,1199 4.169,1200 4.11,1201 4.067,1202 8.211,1203 4.073,1204 3.888,1205 3.922,1206 3.814,1207 3.813,1208 8.191,1209 3.809,1210 3.541,1211 3.597,1212 3.445,1213 3.431,1214 5.118,1215 3.424,1216 3.319,1217 3.388,1218 3.188,1219 3.172,1220 4.717,1221 3.166,1222 3.217,1223 3.294,1224 3.082,1225 3.059,1226 4.447,1227 3.048,1228 3.011,1229 3.085,1230 2.909,1231 2.826,1232 4.107,1233 2.838,1234 2.909,1235 2.994,1236 2.723,1237 2.753,1238 3.891,1239 2.733,1240 2.776,1241 2.879,1242 2.635,1243 2.571,1244 3.614,1245 2.553,1246 0.189,1247 0.141,1248 0.281,1249 0.173,1250 0.134,1251 4.728,1252 0.187,1253 3.536,1254 0.027,1255 7.018,1256 0.478,1257 4.321,1258 0.131,1259 3.34,1260 4.67,1261 0.68,1262 11.958,1263 3.278,1264 2.093,1265 2.069,1266 2.184,1267 2.184,1268 1.539,1269 2.183,1270 1.882,1271 1.852,1272 1.991,1273 1.984,1274 1.17,1275 1.992,1276 1.546,1277 1.492,1278 1.803,1279 1.708,1280 1.031,1281 1.743,1282 1.296,1283 1.243,1284 1.519,1285 1.498,1286 0.849,1287 1.494,1288 1.225,1289 1.152,1290 1.469,1291 1.425,1292 0.594,1293 1.458,1294 0.949,1295 0.889,1296 1.278,1297 1.211,1298 0.502,1299 1.212,1300 0.935,1301 0.855,1302 1.192,1303 1.152,1304 0.243,1305 1.2,1306 0.746,1307 0.668,1308 1.054,1309 1.016,1310 0.121,1311 1.018,1312 3.932,1314 5.313,1316 6.907,1318 8.609,1320 10.37,1322 2.165,1324 27.63,1326 6.291,1328 3.882,1332 0.791,1340 25.551,1341 58.76,1342 145.262,1343 182.612,1344 198.122,1345 198.122,1346 198.122,1347 45.096,1348 7.663,1349 38.91,1350 38.91,1351 24,1352 12.746,1353 3.7,1354 2.907,1355 29.713,1356 63,1357 66,1358 0.252,1359 152.28,1360 267.02,1361 363.322,1362 19881,1363 5,1364 15.43,1365 0.701,1366 0.568,1367 13.69,1368 12.496,1369 10.563,1370 0.423,1371 0.313,1372 7.755,1373 10.238,1374 7.576,1375 6.208,1376 9.758,1377 7.83,1378 10.167,1379 0.268,1380 0.17,1381 8.984,1382 6.447,1383 8.741,1384 0.162,1385 0.093,1386 8.097,1387 5.045,1388 8.412,1389 0.105,1390 0.052,1391 7.434,1392 4.129,1393 6.633,1394 0.061,1395 0.029,1396 6.338,1397 3.151,1398 0.373,1399 65.806,1400 0.246,1401 20.821,1402 0.762,1403 126,1404 403.18,1405 136.742,1406 345.915,1407 465.9,1408 322,1409 155,1410 341.329,1411 164.899,1412 336.753,1413 501.9,1414 319,1415 8.754}
{0 CHEMBL335922,1 1.473,2 5.071,3 2.051,4 4.205,5 55.746,6 6.795,7 0.375,8 3.454,9 3.581,10 2.964,11 2.987,12 4.411,13 2.958,14 4.048,15 4.227,16 3.344,17 3.428,18 4.941,19 3.365,20 4.284,21 4.52,22 3.352,23 3.483,24 5.133,25 3.393,26 4.182,27 4.42,28 3.166,29 3.317,30 5.177,31 3.228,32 4.066,33 4.32,34 2.674,35 3.121,36 4.876,37 2.962,38 3.852,39 4.157,40 2.029,41 2.825,42 4.403,43 2.569,44 3.521,45 3.902,46 0.911,47 2.302,48 3.807,49 1.887,50 2.721,51 3.192,52 0.107,53 1.2,54 2.833,55 0.747,56 0.028,57 0.419,58 6.61,59 2.684,60 3.945,61 3.717,62 0.126,63 0.69,64 12.64,65 4.908,66 9.322,67 6.884,68 0.12,69 0.82,70 16.535,71 5.562,72 11.239,73 8.331,74 0.259,75 0.739,76 15.313,77 4.271,78 25.778,79 6.652,80 0.191,81 0.594,82 13.722,83 4.144,84 17.756,85 6.199,86 0.138,87 0.428,88 11.124,89 3.889,90 10.74,91 5.708,92 0.06,93 0.274,94 7.987,95 2.887,96 4.929,97 4.482,98 0.044,99 0.091,100 3.713,101 1.11,102 3.905,103 1.859,104 2,105 23,106 0.292,107 0.572,108 0.744,109 0.826,110 0.854,111 0.854,112 2.739,113 0.992,114 -3.31,115 -3.29,116 -3.15,121 39.3,123 5,127 1,145 2,146 1,148 1,149 1,165 1,166 1,167 1,176 5,179 1,180 5,185 2,187 5,189 2,192 4,197 2,200 2,203 2,206 3,208 2,209 2,211 3,214 4,216 3,219 2,227 3,239 2,281 110,282 9.707,283 9.707,284 9.707,285 9.707,286 9.707,287 8.902,288 12.752,289 5.683,290 9.904,291 7.9,292 7.9,293 7.9,294 7.9,295 7.9,296 6.569,297 12.878,298 2.677,299 8.237,300 3.334,301 1.921,302 1.054,303 0.643,304 0.5,305 0.5,306 3.409,311 1,312 1,313 159,314 1.581,317 19.192,318 43.526,321 32.994,322 37.086,325 0.663,326 11.453,329 1,330 0.67,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.83,337 30,338 71,339 4.561,340 3.435,341 6.771,342 4.184,343 3.211,344 4.279,345 0.86,346 11.044,347 3.125,348 3.808,349 2.889,350 5.989,351 3.517,352 2.547,353 3.153,355 8.393,356 2.472,357 3.387,358 2.389,359 5.276,360 3.002,361 2.072,362 2.665,364 6.31,365 1.917,366 2.523,367 1.759,368 4.073,369 2.433,370 1.466,371 1.524,373 3.166,374 1.413,375 2.237,376 1.594,377 3.726,378 2.108,379 1.158,380 1.221,382 3.109,383 1.1,384 2.206,385 1.232,386 3.504,387 2.075,388 1.106,389 1.186,391 2.489,392 1.058,393 1.636,394 0.917,395 3.275,396 1.531,397 0.572,398 0.596,400 1.402,401 0.546,402 1.127,403 0.127,404 2.778,405 0.817,406 -0.111,407 -0.13,409 -0.281,410 -0.102,411 0.517,412 -0.349,413 2.289,414 0.253,415 -0.684,416 -0.764,418 -1.718,419 -0.63,420 0.211,421 -0.676,422 2,423 0.043,424 -0.908,425 -0.999,427 -2.159,428 -0.861,429 -0.061,430 -1.045,431 1.591,432 -0.318,433 -1.279,434 -1.456,436 -3.38,437 -1.224,438 -0.437,439 -1.255,440 1.429,441 -0.599,442 -1.569,443 -1.727,445 -4.301,446 -1.466,447 -0.447,448 -1.435,449 1.363,450 -0.659,451 -1.637,452 -1.972,454 -5.033,455 -1.619,456 -0.5,457 -1.668,458 1.107,459 -0.958,460 -1.946,461 -2.22,463 -5.677,464 -1.847,465 -0.826,466 -1.755,467 0.512,468 -1.038,469 -2,470 -2.355,472 -5.828,473 -1.912,474 6.633,475 0.474,476 0.312,477 0.022,478 16.25,479 1.161,480 7,481 0.5,482 9.25,483 0.661,484 10.707,485 0.765,486 15.567,487 0.556,488 7.921,489 0.566,490 2.721,491 0.194,492 4.14,493 0.296,494 0.06,496 0.377,501 0.938,502 1.196,503 0.863,504 1.075,505 1.044,506 0.969,507 0.882,508 1.14,509 0.859,510 1.058,511 0.666,512 0.982,513 0.958,514 1.257,515 0.882,516 1.077,517 0.899,518 0.987,519 1.355,520 1.012,521 1.217,522 0.992,523 1.596,524 1.054,525 1.618,526 0.983,527 1.429,528 1.117,529 1.745,530 1.222,531 1.05,532 0.825,533 1.146,534 1.005,535 0.859,536 1.092,537 0.099,538 0.788,539 0.759,540 0.958,541 0.093,542 0.955,549 2,551 1.778,552 1.063,553 0.978,554 0.167,555 0.024,559 1295,560 2582,561 2.2,562 50,563 6,564 2,567 2,568 2,569 2,572 1.515,573 2.1,574 2.442,575 0.477,579 1,582 41.249,583 1.473,584 2.887,585 3.753,586 4.164,587 4.307,588 4.307,589 1.577,590 3.236,591 3.789,592 2.418,593 220.044,594 6.34,595 1680.08,597 1,600 134.606,601 1.264,602 3.757,603 0.125,605 0.077,606 0.048,607 0.058,608 0.019,609 0.006,613 0.333,614 1,615 1,616 0.544,617 50.693,618 -0.063,619 0.036,620 0.061,621 0.048,622 -0.062,623 0.074,624 0.102,625 -0.06,626 0.085,627 0.015,628 0.121,629 0.038,630 -0.005,631 -0.257,632 0.079,633 -0.095,634 0.012,635 -0.014,636 -0.072,637 0.07,638 -0.211,639 -0.102,640 -0.094,641 -0.161,642 -0.33,643 -0.011,644 -0.437,645 -0.207,646 -0.419,647 -0.312,648 -0.143,649 -0.02,650 -0.193,651 -0.057,652 -0.106,653 -0.126,654 0.188,655 -0.108,656 0.152,657 -0.036,658 0.233,659 0.038,660 0.373,661 0.487,662 0.98,663 0.809,664 0.424,665 0.954,666 0.866,667 2.135,668 0.929,669 5.449,670 0.994,671 1.132,672 2.076,673 4.31,674 0.644,675 2.833,676 3.178,677 3.526,678 3.829,679 4.007,680 4.06,681 4.111,682 4.127,683 3.951,684 3.584,685 3.226,686 0.604,687 190.27,688 2.833,689 4.369,690 5.252,691 6.151,692 7.048,693 7.953,694 8.854,695 9.76,696 10.662,697 11.568,698 7.1,702 1,708 1,716 1,720 5,722 6,733 1,739 1,741 28,743 6,745 16,747 30,748 11,749 5,756 3,757 6,767 5,770 5,772 5,773 6,790 1,793 14,794 3,795 2,796 3,802 2,808 0.333,809 1,822 1,828 1,829 2,832 1,833 1,859 1,868 14,869 1,876 6,878 1,893 3.6,898 1,901 6.667,902 4.95,903 3.028,904 1.933,907 1.286,908 1.207,909 1.029,910 1.823,911 7.504,912 2.996,913 3.597,914 4.201,915 4.755,916 5.229,917 5.444,918 5.565,919 5.651,920 5.458,921 4.983,922 0.5,923 22,924 5.207,925 0.002,926 2.272,927 0.026,929 7.488,931 10.384,932 0.001,933 9.096,936 1.988,937 27.833,938 0.013,941 141.253,942 33.964,943 49.683,945 11,948 33.964,949 152.253,950 49.683,952 17.265,953 32.897,954 16.786,955 22.885,956 4.815,957 141.253,959 141.253,960 83.647,961 11,964 117.711,965 34.542,968 20.022,969 46.84,970 16.786,972 141.253,973 60.683,974 33.964,977 141.253,978 33.964,981 60.683,982 141.253,983 60.683,984 33.964,986 0.586,987 0.364,988 0.21,989 0.105,990 14,991 5,994 2,995 1.308,996 2.65,997 97.608,998 0.308,999 13,1000 53.303,1005 8.392,1006 3.041,1007 1.202,1009 60.683,1011 4.552,1015 5.367,1017 32.897,1018 235.9,1019 19,1031 27.833,1032 31.697,1034 0.306,1035 0.601,1036 0.781,1037 0.866,1038 0.896,1039 0.896,1040 4.256,1041 -0.111,1042 5.242,1043 1.402,1044 3.85,1045 4.277,1046 0.908,1047 6.103,1048 3.774,1049 5.448,1050 -0.684,1051 6.828,1052 -0.281,1053 3.434,1054 4.227,1056 7.091,1057 3.336,1058 6.775,1059 -0.908,1060 8.521,1061 -1.718,1062 5.476,1063 6.494,1064 0.739,1065 10.248,1066 5.34,1067 8.145,1068 -1.279,1069 10.277,1070 -2.159,1071 5.943,1072 7.295,1074 12.07,1075 5.793,1076 9.553,1077 -1.569,1078 12.073,1079 -3.38,1080 7.43,1081 9.061,1082 0.593,1083 14.736,1084 7.244,1085 10.986,1086 -1.637,1087 13.896,1088 -4.301,1089 8.288,1090 10.216,1092 16.882,1093 8.088,1094 12.436,1095 -1.946,1096 15.737,1097 -5.033,1098 9.565,1099 11.8,1100 0.469,1101 19.383,1102 9.333,1103 3.211,1104 -2,1105 17.59,1106 -5.677,1107 10.596,1108 13.112,1110 21.668,1111 10.345,1112 2.547,1113 11.044,1114 19.454,1115 -5.828,1116 11.795,1117 14.623,1118 0.366,1119 24.108,1120 11.515,1121 2.072,1122 8.393,1123 21.325,1124 4.279,1125 12.901,1126 16.009,1128 26.455,1129 12.598,1130 1.466,1131 6.31,1132 23.202,1133 3.153,1134 14.074,1135 17.489,1136 0.283,1137 28.871,1138 13.743,1139 1.158,1140 3.166,1141 25.083,1142 2.665,1143 15.211,1144 18.91,1146 31.246,1147 14.856,1148 1.106,1149 3.109,1150 26.969,1151 1.524,1152 16.376,1153 20.375,1154 0.217,1155 33.653,1156 15.993,1157 0.572,1158 2.489,1159 28.859,1160 1.221,1161 17.529,1162 21.813,1164 36.041,1165 17.119,1166 1269,1167 1861,1168 11.038,1169 18.034,1170 24.094,1171 24.789,1172 24.977,1173 24.312,1174 24.265,1175 29.249,1176 1.72,1177 71.825,1178 23.262,1179 5.506,1180 5.435,1181 6.453,1182 5.273,1183 5.211,1184 7.279,1185 1.72,1186 18.579,1187 5.095,1188 3.784,1189 1.506,1190 1.549,1191 1.561,1192 1.52,1193 1.517,1194 1.828,1195 0.108,1196 4.489,1197 1.454,1198 4.04,1199 4.073,1200 3.991,1201 3.941,1202 5.123,1203 3.948,1204 3.666,1205 3.718,1206 3.53,1207 3.536,1208 4.781,1209 3.526,1210 3.265,1211 3.348,1212 3.104,1213 3.1,1214 4.34,1215 3.089,1216 3.03,1217 3.109,1218 2.924,1219 2.766,1220 3.837,1221 2.794,1222 2.816,1223 2.919,1224 2.575,1225 2.563,1226 3.706,1227 2.547,1228 2.678,1229 2.807,1230 2.399,1231 2.383,1232 3.297,1233 2.379,1234 2.471,1235 2.537,1236 2.303,1237 2.26,1238 3.046,1239 2.26,1240 2.039,1241 2.198,1242 1.738,1243 1.692,1244 2.788,1245 1.675,1246 0.285,1247 0.215,1248 0.423,1249 0.261,1250 0.201,1251 4.561,1252 0.267,1253 3.435,1254 0.054,1255 6.771,1256 0.69,1257 4.184,1258 0.195,1259 3.211,1260 4.279,1261 0.86,1262 11.044,1263 3.125,1264 1.909,1265 1.883,1266 2.019,1267 2.046,1268 1.302,1269 2.037,1270 1.557,1271 1.491,1272 1.831,1273 1.731,1274 1.173,1275 1.769,1276 1.516,1277 1.462,1278 1.727,1279 1.689,1280 0.998,1281 1.707,1282 1.003,1283 0.927,1284 1.315,1285 1.3,1286 0.561,1287 1.303,1288 0.78,1289 0.726,1290 1.177,1291 1.125,1292 0.251,1293 1.154,1294 0.749,1295 0.615,1296 1.017,1297 1.053,1299 1.055,1300 0.174,1301 0.028,1302 0.739,1303 0.549,1305 0.618,1306 0.11,1308 0.693,1309 0.497,1311 0.576,1312 3.497,1314 4.828,1315 2.398,1316 6.382,1317 4.595,1318 8.042,1319 6.605,1320 9.758,1326 6.135,1328 6.24,1330 5.538,1340 16.918,1341 41.249,1342 80.832,1343 105.096,1344 116.606,1345 120.606,1346 120.606,1347 14.963,1348 6.219,1349 48.14,1350 48.14,1351 17,1352 12.087,1353 2.807,1354 2,1355 18.023,1356 30,1357 17,1358 0.354,1359 102.909,1360 173.75,1361 242.857,1362 3271,1364 9.544,1365 0.682,1366 0.584,1367 9.544,1368 8.175,1369 6.86,1370 0.429,1371 0.331,1372 5.231,1373 6.637,1374 5.145,1375 4.2,1376 6.86,1377 5.289,1378 6.158,1379 0.268,1380 0.176,1381 6.158,1382 4.04,1383 5.642,1384 0.171,1385 0.095,1386 5.642,1387 3.143,1388 4.978,1389 0.111,1390 0.053,1391 4.978,1392 2.407,1393 3.768,1394 0.07,1395 0.028,1396 3.768,1397 1.527,1398 0.503,1399 42.766,1400 0.301,1401 13.581,1402 1.139,1403 78,1404 190.693,1405 84.734,1406 183.145,1407 260.67,1408 174,1409 95,1410 201.117,1411 102.152,1412 201.583,1413 302.3,1414 192,1415 5.951}
{0 CHEMBL335962,1 1.436,2 10.407,3 4.899,4 24.004,5 108.256,6 6.769,7 0.4,8 4.075,9 4.203,10 3.573,11 3.597,12 5.085,13 3.563,14 4.656,15 4.854,16 4.002,17 4.038,18 5.627,19 3.989,20 4.894,21 5.072,22 4.104,23 4.257,24 5.825,25 4.176,26 5.136,27 5.387,28 4.002,29 4.302,30 6.013,31 4.171,32 5.111,33 5.378,34 3.81,35 4.149,36 6.02,37 3.989,38 4.944,39 5.245,40 3.604,41 3.839,42 5.829,43 3.706,44 4.452,45 4.651,46 3.524,47 3.619,48 5.539,49 3.557,50 4.399,51 4.595,52 3.476,53 3.641,54 5.507,55 3.564,56 0.039,57 0.786,58 12.459,59 5.066,60 9.415,61 7.086,62 0.41,63 1.309,64 23.755,65 8.421,66 33.881,67 12.227,68 0.181,69 1.65,70 29.543,71 11.296,72 25.501,73 16.022,74 0.344,75 1.92,76 39.236,77 13.396,78 43.909,79 19.866,80 0.373,81 1.69,82 38.936,83 13.679,84 56.251,85 19.724,86 0.528,87 1.269,88 34.54,89 10.924,90 62.895,91 15.521,92 0.367,93 0.896,94 20.346,95 6.703,96 39.261,97 8.961,98 0.335,99 0.917,100 18.943,101 6.229,102 39.122,103 8.646,104 37,105 46,106 0.239,107 0.563,108 0.776,109 0.849,110 0.873,111 0.873,112 3.34,113 0.944,114 -4.75,115 -4.66,116 -4.38,121 40.7,122 3,123 1,125 1,126 2,127 1,130 1,144 6,145 3,146 3,161 1,176 11,179 2,180 7,183 2,185 2,187 13,192 8,197 3,200 11,206 9,211 4,214 5,218 1,219 11,224 2,227 2,231 1,232 5,237 1,239 4,243 1,244 2,247 1,249 2,251 10,255 1,259 1,264 12,269 2,277 11,281 1016,282 17.687,283 17.687,284 17.687,285 17.687,286 17.687,287 16.014,288 26.248,289 9.87,290 18.046,291 14.718,292 14.718,293 14.718,294 14.718,295 14.718,296 12.183,297 36.397,298 4.617,299 15.297,300 4.319,301 2.374,302 1.098,303 0.662,304 0.514,305 0.514,306 4.028,311 1,312 1,313 613,314 3.536,317 105.636,318 147.003,320 85.235,321 90.085,324 126.133,325 1.547,326 18.795,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 57.5,338 281,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 4.329,349 3.681,350 6.348,351 3.952,352 2.968,353 3.986,354 0.966,355 9.469,356 2.924,357 3.978,358 3.096,359 6.211,360 3.633,361 2.679,362 3.317,363 0.693,364 8.827,365 2.557,366 3.682,367 2.819,368 6.169,369 3.396,370 2.455,371 2.902,372 0.366,373 8.458,374 2.295,375 3.486,376 2.742,377 5.466,378 3.303,379 2.366,380 2.667,382 7.208,383 2.206,384 3.345,385 2.506,386 5.11,387 3.037,388 2.078,389 2.463,391 6.02,392 1.982,393 3.138,394 2.138,395 4.785,396 2.725,397 1.741,398 2.311,400 4.844,401 1.7,402 2.866,403 1.746,404 4.591,405 2.414,406 1.462,407 2.028,409 4.312,410 1.414,411 2.616,412 1.524,413 4.214,414 2.412,415 1.414,416 1.629,418 3.18,419 1.382,420 2.518,421 1.171,422 3.866,423 2.128,424 1.133,425 1.522,427 3.06,428 1.126,429 1.785,430 0.961,431 3.722,432 1.695,433 0.731,434 0.762,436 1.827,437 0.703,438 1.542,439 0.896,440 3.092,441 1.345,442 0.375,443 0.415,445 0.889,446 0.361,447 1.234,448 0.682,449 3.07,450 0.905,451 -0.034,452 -0.04,454 -0.087,455 -0.032,456 1.103,457 0.188,458 2.668,459 0.726,460 -0.265,461 -0.293,463 -0.632,464 -0.257,465 0.762,466 -0.017,467 2.496,468 0.638,469 -0.312,470 -0.375,472 -0.756,473 -0.298,474 12.867,475 0.477,476 0.95,477 0.035,478 32.75,479 1.213,480 15,481 0.556,482 17.75,483 0.657,484 26.139,485 0.968,486 29.733,487 0.551,488 24.259,489 0.898,490 6.261,491 0.232,492 6.548,493 0.243,494 0.22,495 0.039,496 0.373,501 0.812,502 1.441,503 0.864,504 1.184,505 0.653,506 1.049,507 0.697,508 0.847,509 0.759,510 0.747,511 0.387,512 0.744,513 1.011,514 1.403,515 1.092,516 1.264,517 0.73,518 1.2,519 1.018,520 1.085,521 1.127,522 1.108,523 0.699,524 1.111,525 1.063,526 1.094,527 1.047,528 1.168,529 1.204,530 1.118,531 1.683,532 0.603,533 0.794,534 0.608,535 1.642,536 0.612,537 2.208,538 0.916,539 1.152,540 0.886,541 2.394,542 0.917,543 1.875,544 0.919,545 1.28,546 0.935,547 2.645,548 1.026,549 7,550 0.229,551 4.667,552 3.958,553 1.779,554 0.875,555 0.612,556 0.363,557 0.311,558 0.256,559 8809,560 18377,561 2.044,562 50,563 9,564 14,565 1,567 1,569 2,572 1.699,573 1.851,574 3.32,575 -0.382,582 77.52,583 1.436,584 3.381,585 4.657,586 5.092,587 5.241,588 5.241,589 2.707,590 4.505,591 4.731,592 3.51,593 1232.16,594 8.197,595 15673.2,597 1,600 310.764,601 1.72,602 4.648,603 0.233,604 0.01,605 0.101,606 0.081,607 0.043,608 0.028,609 0.023,610 0.014,611 0.012,612 0.011,613 0.557,614 0.5,615 1,616 0.658,617 133.29,618 0.003,619 -0.213,620 0.075,621 -0.076,622 -0.059,623 -0.006,624 0.3,625 0.306,626 0.224,627 0.263,628 0.258,629 0.242,630 -0.082,631 -0.279,632 -0.135,633 -0.211,634 -0.023,635 -0.187,636 -0.102,637 -0.045,638 -0.15,639 -0.143,640 0.035,641 -0.143,642 0.033,643 -0.174,644 -0.054,645 -0.201,646 0.001,647 -0.145,648 -0.036,649 0.199,650 0.27,651 0.304,652 -0.031,653 0.319,654 -0.162,655 0.057,656 -0.071,657 0.087,658 -0.204,659 0.017,660 -0.2,661 0.154,662 -0.235,663 0.037,664 -0.299,665 -0.088,666 2.125,667 5.418,668 0.667,669 22.134,670 0.992,671 1.128,672 3.52,673 12.394,674 0.649,675 3.434,676 3.85,677 4.19,678 4.511,679 4.7,680 4.771,681 4.927,682 5.004,683 5.004,684 5.088,685 6.322,686 0.608,687 365.52,688 3.434,689 5.03,690 5.927,691 6.86,692 7.776,693 8.716,694 9.643,695 10.587,696 11.523,697 12.471,698 5.6,701 1,704 1,705 1,715 6,720 6,722 12,736 1,737 1,741 54,743 13,744 2,745 30,747 57,748 22,749 12,750 6,751 6,756 4,757 7,763 3,764 1,766 1,767 1,770 1,772 13,773 9,777 1,782 1,786 1,793 27,794 5,795 1,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 5,868 27,876 2,877 1,878 1,880 1,881 2,882 1,893 3.7,896 1,898 1,901 14.583,902 11.317,903 5.708,904 3.225,907 2.215,908 1.286,909 0.963,910 4.438,911 9.946,912 3.638,913 4.248,914 4.787,915 5.329,916 5.802,917 5.976,918 6.266,919 6.536,920 6.653,921 6.868,922 0.857,923 49,924 10.017,926 4.297,927 0.026,929 7.583,931 19.553,933 16.629,936 2.083,937 56.25,939 1,940 1,941 306.049,942 131.842,943 24.259,945 36.145,948 131.842,949 342.193,950 24.259,951 43.268,952 22.651,953 56.857,954 25.145,955 37.562,956 18.534,957 294.278,959 306.049,960 156.102,961 36.145,964 282.506,965 59.687,968 52.251,969 103.851,972 306.049,973 60.404,974 131.842,977 306.049,978 31.716,979 106.374,980 18.011,981 36.145,982 306.049,983 60.404,984 131.842,986 0.608,987 0.373,988 0.203,989 0.104,990 25,991 12,992 0.053,993 3,994 2,995 1.222,996 3.751,997 242.915,998 0.222,999 18,1000 126.382,1005 18.33,1006 6.537,1007 2.915,1009 60.404,1010 11.823,1015 6.034,1017 18.011,1018 498.295,1019 37,1024 12.418,1028 -0.458,1031 53.563,1032 60.896,1034 0.249,1035 0.587,1036 0.809,1037 0.885,1038 0.911,1039 0.911,1040 4.949,1041 1.462,1042 5.989,1043 4.844,1044 4.533,1045 4.934,1046 2.466,1047 6.94,1048 4.461,1049 6.187,1050 1.414,1051 7.648,1052 4.312,1053 4.443,1054 4.913,1055 1.905,1056 8.308,1057 4.349,1058 7.538,1059 1.133,1060 9.422,1061 3.18,1062 6.301,1063 7.097,1064 3.531,1065 11.474,1066 6.172,1067 8.924,1068 0.731,1069 11.268,1070 3.06,1071 7.022,1072 7.825,1073 3.612,1074 13.738,1075 6.883,1076 10.345,1077 0.375,1078 13.165,1079 1.827,1080 8.453,1081 9.573,1082 4.913,1083 16.557,1084 8.288,1085 11.791,1086 -0.034,1087 15.099,1088 0.889,1089 9.522,1090 10.642,1091 5.293,1092 19.142,1093 9.348,1094 13.258,1095 -0.265,1096 17.064,1097 -0.087,1098 10.837,1099 12.217,1100 6.388,1101 21.887,1102 10.643,1103 3.737,1104 -0.312,1105 19.053,1106 -0.632,1107 12.048,1108 13.454,1109 6.931,1110 24.572,1111 11.84,1112 2.968,1113 15.306,1114 21.061,1115 -0.756,1116 13.343,1117 14.95,1118 7.902,1119 27.303,1120 13.116,1121 2.679,1122 9.469,1123 23.085,1124 4.206,1125 14.612,1126 16.273,1127 8.539,1128 30.018,1129 14.368,1130 2.455,1131 8.827,1132 25.12,1133 3.986,1134 15.91,1135 17.731,1136 9.436,1137 32.746,1138 15.646,1139 2.366,1140 8.458,1141 27.166,1142 3.317,1143 17.204,1144 19.099,1145 10.13,1146 35.47,1147 16.92,1148 2.078,1149 7.208,1150 29.219,1151 2.902,1152 18.508,1153 20.539,1154 10.981,1155 38.198,1156 18.204,1157 1.741,1158 6.02,1159 31.277,1160 2.667,1161 19.814,1162 21.931,1163 11.71,1164 40.925,1165 19.488,1166 8410,1167 12290,1168 19.304,1169 35.063,1170 46.636,1171 47.762,1172 49.567,1173 46.31,1174 46.275,1175 56.415,1176 8.422,1177 146.804,1178 44.612,1179 5.797,1180 5.973,1181 7.542,1182 5.806,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 16.147,1189 1.555,1190 1.592,1191 1.652,1192 1.544,1193 1.543,1194 1.881,1195 0.281,1196 4.893,1197 1.487,1198 4.094,1199 4.131,1200 4.041,1201 3.998,1202 7.435,1203 4.003,1204 3.95,1205 3.982,1206 3.891,1207 3.885,1208 4.843,1209 3.882,1210 3.701,1211 3.743,1212 3.618,1213 3.563,1214 4.735,1215 3.567,1216 3.415,1217 3.455,1218 3.351,1219 3.138,1220 4.446,1221 3.179,1222 3.278,1223 3.37,1224 3.107,1225 3.058,1226 4.146,1227 3.054,1228 3.236,1229 3.329,1230 3.04,1231 3.043,1232 3.963,1233 3.027,1234 3.178,1235 3.26,1236 2.988,1237 3.027,1238 3.921,1239 3.012,1240 3.1,1241 3.181,1242 2.89,1243 2.865,1244 3.894,1245 2.872,1246 0.161,1247 0.132,1248 0.267,1249 0.157,1250 0.125,1251 4.832,1252 0.14,1253 3.973,1254 0.073,1255 8.006,1256 0.51,1257 4.714,1258 0.122,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.94,1265 1.914,1266 2.058,1267 2.036,1268 1.31,1269 2.042,1270 1.901,1271 1.881,1272 2.003,1273 1.984,1274 1.195,1275 1.99,1276 1.633,1277 1.577,1278 1.832,1279 1.836,1280 1.057,1281 1.837,1282 1.534,1283 1.453,1284 1.787,1285 1.755,1286 1.012,1287 1.775,1288 1.285,1289 1.235,1290 1.582,1291 1.586,1292 0.645,1293 1.562,1294 1.22,1295 1.141,1296 1.566,1297 1.467,1298 0.633,1299 1.501,1300 1.205,1301 1.116,1302 1.544,1303 1.418,1304 0.592,1305 1.47,1306 1.062,1307 0.997,1308 1.453,1309 1.357,1310 0.563,1311 1.366,1312 4.111,1314 5.501,1315 3.045,1316 7.086,1317 5.638,1318 8.765,1319 7.921,1320 10.499,1322 10.646,1328 2.173,1329 2.859,1330 5.612,1332 0.353,1333 4.732,1334 0.057,1340 32.815,1341 77.52,1342 182.551,1343 251.48,1344 274.989,1345 282.989,1346 282.989,1347 41.926,1348 7.731,1349 44.81,1350 44.81,1351 22,1352 12.964,1353 3.807,1354 3,1355 40.391,1356 104,1357 89,1358 0.193,1359 200.112,1360 350.02,1361 480.033,1362 24025,1364 19.345,1365 0.716,1366 0.617,1367 19.345,1368 16.667,1369 12.808,1370 0.427,1371 0.315,1372 9.314,1373 12.356,1374 8.861,1375 7.421,1376 12.808,1377 9.437,1378 12.46,1379 0.271,1380 0.176,1381 12.46,1382 8.074,1383 10.93,1384 0.168,1385 0.098,1386 10.93,1387 6.353,1388 9.442,1389 0.105,1390 0.053,1391 9.442,1392 4.748,1393 7.238,1394 0.066,1395 0.028,1396 7.238,1397 3.084,1398 0.303,1399 79.934,1400 0.228,1401 25.725,1402 0.529,1403 152,1404 375.094,1405 165.359,1406 364.697,1407 510.7,1408 342,1409 187,1410 391.092,1411 200.808,1412 400.074,1413 590.89,1414 373,1415 7.638}
{0 CHEMBL336276,1 1.538,2 10.5,3 5.213,4 27.171,5 99.748,6 6.931,7 0.44,8 3.963,9 4.102,10 3.513,11 3.498,12 4.969,13 3.42,14 4.514,15 4.735,16 3.845,17 3.848,18 5.449,19 3.738,20 4.678,21 4.908,22 3.904,23 3.956,24 5.662,25 3.812,26 4.78,27 5.049,28 3.88,29 3.88,30 5.775,31 3.753,32 4.6,33 4.852,34 3.837,35 3.864,36 5.496,37 3.721,38 4.555,39 4.762,40 3.757,41 3.865,42 5.54,43 3.708,44 4.535,45 4.739,46 3.63,47 3.808,48 5.562,49 3.689,50 4.664,51 4.91,52 3.503,53 3.846,54 5.561,55 3.69,56 0.059,57 0.749,58 12.177,59 4.881,60 7.617,61 6.697,62 0.353,63 1.166,64 24.719,65 7.731,66 20.214,67 11.04,68 0.219,69 1.296,70 28.82,71 9.869,72 33.079,73 13.477,74 0.473,75 1.324,76 33.752,77 8.787,78 54.774,79 12.634,80 0.25,81 1.226,82 28.015,83 8.154,84 24.693,85 11.262,86 0.27,87 1.203,88 31.746,89 9,90 29.682,91 11.083,92 0.271,93 1.127,94 25.877,95 7.689,96 33.983,97 10.425,98 0.251,99 1.176,100 25.033,101 8.539,102 32.707,103 12.459,104 38,105 33,106 0.263,107 0.541,108 0.736,109 0.798,110 0.811,111 0.811,112 3.228,113 1.128,114 -5.69,115 -5.56,116 -5.18,121 36,122 2,123 4,126 2,127 1,144 4,145 2,151 1,161 1,164 1,168 1,176 11,179 5,180 4,187 12,191 2,192 6,200 8,205 2,206 10,214 4,219 9,227 3,232 12,239 4,244 10,251 4,256 7,264 6,269 5,277 6,281 930,282 15.974,283 15.974,284 15.974,285 15.974,286 15.974,287 14.6,288 11.361,289 9.792,290 16.434,291 12.288,292 12.288,293 12.288,294 12.288,295 12.288,296 10.087,297 9.26,298 4.635,299 13.012,300 4.105,301 2.482,302 1.34,303 0.98,304 0.9,305 0.9,306 3.889,311 1,312 1,313 510,314 3.808,317 74.945,318 87.129,325 1.583,326 17.431,329 0.75,330 1,331 1,332 1,333 1,334 1,335 1,336 0.96,337 51,338 252,339 4.499,340 4.446,341 6.632,342 4.078,343 3.149,344 4.184,345 2.95,346 10.578,347 2.933,348 4.085,349 3.712,350 6.091,351 3.717,352 2.742,353 3.633,354 1.678,355 8.783,356 2.665,357 3.708,358 2.95,359 5.48,360 3.332,361 2.38,362 3.046,363 0.527,364 6.731,365 2.28,366 3.449,367 2.712,368 5.026,369 3.097,370 2.168,371 2.672,373 5.999,374 1.983,375 2.868,376 2.422,377 4.377,378 2.794,379 1.815,380 1.921,382 4.061,383 1.777,384 2.707,385 2.005,386 4.242,387 2.387,388 1.483,389 1.748,391 3.6,392 1.315,393 2.599,394 1.74,395 3.775,396 2.231,397 1.287,398 1.617,400 3.411,401 1.209,402 2.5,403 1.643,404 3.414,405 2.087,406 1.131,407 1.5,409 2.275,410 1.07,411 2.24,412 1.236,413 3.257,414 2,415 1,416 1.223,418 2.246,419 1,420 2.065,421 1,422 3.141,423 1.53,424 0.506,425 0.721,427 1.198,428 0.506,429 1.568,430 0.893,431 2.652,432 1.411,433 0.49,434 0.524,436 0.878,437 0.443,438 1.121,439 0.29,440 2.516,441 0.803,442 -0.17,443 -0.195,445 -0.337,446 -0.162,447 0.845,448 0.023,449 2,450 0.67,451 -0.269,452 -0.309,454 -0.528,455 -0.254,456 0.5,457 -0.126,458 2,459 0.081,460 -0.853,461 -0.927,463 -1.763,464 -0.759,465 0.364,466 -0.459,467 1.797,469 -1,470 -1,472 -2,473 -0.9,474 11.767,475 0.49,476 0.562,477 0.023,478 26.75,479 1.115,480 12,481 0.5,482 14.75,483 0.615,484 23.002,485 0.958,486 27.233,487 0.545,488 18.159,489 0.757,490 4.74,491 0.197,492 6.784,493 0.283,494 0.198,496 0.28,501 0.661,502 1.451,503 0.839,504 1.146,505 0.596,506 1.126,507 0.577,508 1.021,509 0.939,510 1.015,511 0.509,512 0.92,513 0.651,514 1.294,515 0.94,516 1.185,517 0.709,518 1.064,519 1.552,520 0.959,521 0.97,522 0.838,523 1.677,524 0.778,525 1.259,526 1.002,527 1.114,528 0.902,529 0.816,530 0.844,531 1.69,532 1.288,533 2.004,534 1.579,535 1.37,536 1.18,537 1.877,538 1.168,539 1.518,540 1.252,541 1.844,542 1.172,543 1.338,544 1.04,545 0.969,546 0.978,547 1.414,548 1.163,549 4.5,550 0.07,551 2.667,552 1.319,553 1.282,554 0.969,555 0.488,556 0.403,557 0.278,558 0.202,559 5766,560 12721,561 1.948,562 52,563 12,564 12,569 2,572 1.673,573 1.8,574 3.338,575 -0.74,582 76.923,583 1.538,584 3.162,585 4.303,586 4.663,587 4.743,588 4.743,589 2.872,590 4.252,591 4.544,592 3.493,593 963.945,594 7.872,595 11595.2,600 282.193,601 1.49,602 4.498,603 0.18,604 0.005,605 0.081,606 0.04,607 0.041,608 0.032,609 0.017,610 0.015,611 0.012,612 0.011,613 0.435,614 0.17,615 0.88,616 2.024,617 114.773,618 0.116,619 -0.192,620 0.082,621 -0.057,622 -0.009,623 -0.045,624 0.386,625 0.115,626 0.132,627 0.047,628 0.159,629 0.089,630 0.243,631 -0.245,632 0.124,633 -0.099,634 0.214,635 -0.035,636 0.002,637 0.045,638 0.133,639 0.122,640 -0.02,641 0.141,642 -0.15,643 0.122,644 0.083,645 0.17,646 -0.046,647 0.126,648 -0.305,649 -0.057,650 -0.36,651 -0.195,652 -0.106,653 -0.149,654 -0.365,655 -0.015,656 -0.352,657 -0.169,658 -0.211,659 -0.193,660 -0.223,661 -0.047,662 -0.189,663 -0.115,664 -0.19,665 -0.202,666 1.836,667 5.372,668 0.458,669 24.208,670 0.991,671 1.134,672 4.461,673 19.897,674 0.65,675 3.258,676 3.526,677 3.738,678 3.932,679 4.127,680 4.234,681 4.277,682 4.317,683 4.369,684 4.248,685 6.12,686 0.596,687 346.55,688 3.258,689 4.762,690 5.58,691 6.431,692 7.283,693 8.15,694 9.018,695 9.894,696 10.771,697 11.654,698 8,705 1,706 1,708 2,715 4,716 2,720 4,721 1,722 11,741 50,743 12,744 1,745 25,747 51,748 18,749 8,750 2,751 4,752 1,756 2,757 2,761 1,763 2,770 4,772 9,773 9,777 1,782 1,786 1,793 26,794 4,796 6,797 1,802 4,808 1,809 1,828 1,829 1,859 2,860 1,862 1,864 4,868 24,876 5,879 1,881 1,890 1,893 2,896 1,901 13.333,902 10.217,903 5.528,904 3.275,907 2.036,908 1.309,909 0.929,910 7.164,911 8.621,912 3.481,913 4.003,914 4.545,915 5.069,916 5.519,917 5.844,918 6.137,919 6.448,920 6.785,921 6.826,922 1,923 33,924 8.89,926 3.542,927 0.026,929 7.611,931 17.298,933 13.444,936 2.111,937 50.667,941 306.049,942 129.273,943 38.349,945 25.145,947 32.22,948 97.054,949 331.194,950 38.349,951 34.443,952 14.162,953 37.905,954 58.593,955 11.169,956 4.276,957 338.268,959 306.049,960 135.403,961 25.145,962 32.22,964 284.834,965 48.687,968 34.282,969 65.345,970 33.449,971 32.22,972 306.049,973 63.494,974 129.273,977 306.049,978 56.925,979 77.249,981 58.593,982 306.049,983 63.494,984 129.273,986 0.564,987 0.317,988 0.156,989 0.089,990 13,991 7,992 0.137,993 7,995 1,996 3.574,997 179.505,999 11,1000 104.039,1001 1,1005 18.852,1006 9.12,1007 5.262,1009 61.718,1010 8.04,1011 9.039,1015 3.383,1016 1.416,1018 498.816,1019 31.5,1024 12.372,1028 -0.17,1031 49.531,1032 56.69,1034 0.273,1035 0.56,1036 0.763,1037 0.826,1038 0.84,1039 0.84,1040 4.689,1041 1.131,1042 5.549,1043 3.411,1044 4.205,1045 4.687,1046 3.158,1047 6.323,1048 4.097,1049 5.867,1050 1,1051 7.091,1052 2.275,1053 3.761,1054 4.46,1055 1.305,1056 7.195,1057 3.593,1058 7.154,1059 0.506,1060 8.74,1061 2.246,1062 5.753,1063 6.816,1064 5.094,1065 10.291,1066 5.536,1067 8.483,1068 0.49,1069 10.452,1070 1.198,1071 6.155,1072 7.454,1073 2.419,1074 12.022,1075 5.868,1076 9.849,1077 -0.17,1078 12.205,1079 0.878,1080 7.612,1081 9.274,1082 7.204,1083 14.636,1084 7.279,1085 11.242,1086 -0.269,1087 13.986,1088 -0.337,1089 8.401,1090 10.301,1091 3.517,1092 16.712,1093 7.992,1094 12.655,1095 -0.853,1096 15.788,1097 -0.528,1098 9.652,1099 11.9,1100 9.354,1101 19.158,1102 9.191,1103 3.149,1104 -1,1105 17.605,1106 -1.763,1107 10.622,1108 13.118,1109 4.595,1110 21.384,1111 10.083,1112 2.742,1113 10.578,1114 19.433,1115 -2,1116 11.792,1117 14.618,1118 11.513,1119 23.767,1120 11.195,1121 2.38,1122 8.783,1123 21.271,1124 4.184,1125 12.849,1126 15.933,1127 5.656,1128 26.061,1129 12.172,1130 2.168,1131 6.731,1132 23.116,1133 3.633,1134 13.99,1135 17.389,1136 13.675,1137 28.422,1138 13.249,1139 1.815,1140 5.999,1141 24.967,1142 3.046,1143 15.087,1144 18.754,1145 6.706,1146 30.746,1147 14.268,1148 1.483,1149 4.061,1150 26.823,1151 2.672,1152 16.221,1153 20.19,1154 15.839,1155 33.1,1156 15.332,1157 1.287,1158 3.6,1159 28.683,1160 1.921,1161 17.338,1162 21.582,1163 7.75,1164 35.439,1165 16.372,1166 5980,1167 9112,1168 16.008,1169 32.5,1170 36.857,1171 40.213,1172 38.095,1173 36.382,1174 36.301,1175 45.579,1176 10.31,1177 99.519,1178 34.364,1179 5.408,1180 6.446,1181 6.585,1182 5.207,1183 5.149,1184 7.184,1185 5.9,1186 17.593,1187 4.933,1188 14.123,1189 1.474,1190 1.609,1191 1.524,1192 1.455,1193 1.452,1194 1.823,1195 0.412,1196 3.981,1197 1.375,1198 4.014,1199 4.059,1200 4.091,1201 3.908,1202 7.429,1203 3.909,1204 3.805,1205 3.851,1206 3.818,1207 3.682,1208 5.017,1209 3.66,1210 3.726,1211 3.795,1212 3.611,1213 3.555,1214 4.657,1215 3.562,1216 3.517,1217 3.599,1218 3.468,1219 3.319,1220 4.209,1221 3.3,1222 3.404,1223 3.486,1224 3.314,1225 3.232,1226 4.192,1227 3.223,1228 3.147,1229 3.227,1230 3.01,1231 3.005,1232 3.924,1233 2.977,1234 2.975,1235 3.07,1236 2.904,1237 2.808,1238 3.825,1239 2.752,1240 2.874,1241 3.009,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.18,1247 0.178,1248 0.265,1249 0.163,1250 0.126,1251 4.499,1252 0.167,1253 4.446,1254 0.118,1255 6.632,1256 0.423,1257 4.078,1258 0.117,1259 3.149,1260 4.184,1261 2.95,1262 10.578,1263 2.933,1264 1.924,1265 1.897,1266 2.04,1267 2.003,1268 1.355,1269 2.016,1270 1.76,1271 1.7,1272 2.014,1273 1.92,1274 1.143,1275 1.958,1276 1.59,1277 1.527,1278 1.799,1279 1.885,1280 1.041,1281 1.856,1282 1.468,1283 1.398,1284 1.756,1285 1.651,1286 0.852,1287 1.704,1288 1.312,1289 1.254,1290 1.558,1291 1.535,1292 0.655,1293 1.526,1294 1.232,1295 1.154,1296 1.417,1297 1.487,1298 0.637,1299 1.492,1300 0.999,1301 0.908,1302 1.402,1303 1.256,1304 0.469,1305 1.308,1306 0.934,1307 0.821,1308 1.276,1309 1.239,1310 0.374,1311 1.307,1312 3.932,1314 5.209,1315 2.398,1316 6.671,1317 4.727,1318 8.221,1319 6.843,1320 9.824,1322 7.701,1328 5.758,1331 1.604,1333 1.523,1340 29.782,1341 76.923,1342 158.085,1343 215.173,1344 233.173,1345 237.173,1346 237.173,1347 46.642,1348 6.585,1349 51.02,1350 76.32,1351 11,1352 12.19,1353 3.7,1354 2.907,1355 48.235,1356 84,1357 112,1358 0.279,1359 193.386,1360 328.9,1361 463.621,1362 5192,1364 17.527,1365 0.73,1366 0.657,1367 17.88,1368 15.767,1369 11.524,1370 0.461,1371 0.376,1372 8.396,1373 10.683,1374 7.936,1375 6.779,1376 11.978,1377 9.397,1378 9.981,1379 0.302,1380 0.216,1381 10.565,1382 7.144,1383 7.918,1384 0.193,1385 0.115,1386 8.566,1387 4.695,1388 5.824,1389 0.116,1390 0.063,1391 6.545,1392 3.146,1393 4.603,1394 0.075,1395 0.037,1396 5.355,1397 2.278,1398 0.433,1399 76.361,1400 0.25,1401 23.593,1402 0.775,1403 116,1404 321.176,1405 150.49,1406 333.952,1407 456.06,1408 312,1409 132,1410 325.494,1411 163.551,1412 343.953,1413 502.09,1414 319,1415 6.699}
{0 CHEMBL336297,1 1.477,2 17.029,3 5.369,4 28.823,5 134.755,6 7.302,7 0.474,8 4.26,9 4.366,10 3.807,11 3.785,12 5.356,13 3.769,14 4.799,15 4.964,16 4.141,17 4.147,18 5.896,19 4.112,20 5.043,21 5.235,22 4.206,23 4.268,24 6.077,25 4.215,26 5.097,27 5.316,28 4.157,29 4.224,30 6.19,31 4.16,32 4.996,33 5.195,34 4.028,35 4.182,36 6.064,37 4.102,38 5.004,39 5.23,40 3.92,41 4.135,42 5.983,43 4.03,44 4.916,45 5.142,46 3.818,47 4.072,48 5.83,49 3.956,50 4.88,51 5.109,52 3.765,53 4.028,54 5.788,55 3.907,56 0.027,57 0.872,58 13.457,59 6.264,60 7.422,61 7.875,62 0.4,63 1.403,64 25.856,65 10.009,66 36.494,67 13.084,68 0.368,69 1.677,70 34.698,71 12.985,72 44.876,73 16.863,74 0.757,75 1.709,76 38.566,77 13.128,78 78.981,79 17.481,80 0.487,81 1.574,82 33.688,83 12.35,84 65.912,85 16.069,86 0.567,87 1.561,88 34.96,89 12.52,90 69.535,91 16.777,92 0.457,93 1.471,94 31.497,95 11.515,96 48.829,97 15.56,98 0.389,99 1.406,100 30.384,101 11.279,102 44.667,103 15.328,104 22,105 51,106 0.234,107 0.543,108 0.753,109 0.87,110 0.903,111 0.903,112 3.588,113 0.935,114 -4.14,115 -4.09,116 -3.87,121 43.1,122 1,123 2,126 1,127 4,144 11,145 3,146 4,159 1,161 1,176 11,179 1,180 13,183 2,185 1,187 12,192 10,197 1,200 7,205 3,206 13,211 2,214 9,218 1,219 6,224 2,227 9,231 1,232 7,237 1,239 8,243 1,244 6,247 1,251 6,255 1,256 4,264 7,268 1,269 3,274 1,277 8,281 2370,282 23.869,283 23.869,284 23.869,285 23.869,286 23.869,287 21.487,288 30.132,289 14.561,290 24.374,291 18.781,292 18.781,293 18.781,294 18.781,295 18.781,296 15.059,297 39.982,298 6.947,299 19.58,300 4.545,301 2.603,302 1.278,303 0.539,304 0.331,305 0.331,306 4.286,312 1,313 1286,314 4.359,318 413.046,322 312.481,325 2.545,326 35.032,329 1,330 0.67,331 0.83,332 1,333 0.5,334 0.83,335 0.5,336 0.76,337 76,338 596,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 2.186,346 11.061,347 3.18,348 4.105,349 3.665,350 6.011,351 3.724,352 2.762,353 3.688,354 0.916,355 8.529,356 2.661,357 4.048,358 3,359 5.683,360 3.613,361 2.643,362 3.676,363 0.86,364 8.002,365 2.563,366 3.683,367 2.98,368 5.408,369 3.392,370 2.461,371 2.964,372 0.86,373 6.915,374 2.274,375 3.617,376 2.82,377 5.298,378 3.233,379 2.272,380 2.895,381 0.366,382 6.849,383 2.172,384 3.387,385 2.634,386 5.125,387 3.135,388 2.182,389 2.527,390 0.172,391 6.041,392 2.062,393 3.307,394 2.491,395 4.886,396 2.946,397 2.009,398 2.503,400 5.691,401 1.861,402 3.085,403 2.167,404 4.61,405 2.787,406 1.822,407 2.17,409 4.924,410 1.748,411 2.904,412 1.708,413 4.125,414 2.437,415 1.454,416 2.08,418 3.384,419 1.426,420 2.715,421 1.69,422 3.719,423 2.363,424 1.387,425 1.811,427 3.094,428 1.348,429 2.665,430 1.571,431 3.582,432 2.306,433 1.34,434 1.736,436 2.931,437 1.284,438 2.478,439 1.37,440 3.499,441 2.242,442 1.255,443 1.451,445 2.643,446 1.235,447 2.438,448 1.298,449 3.467,450 2.163,451 1.171,452 1.417,454 2.44,455 1.159,456 2.364,457 1.274,458 3.354,459 1.88,460 0.853,461 1.247,463 2.039,464 0.869,465 1.552,466 0.776,467 2.983,468 1.343,469 0.42,470 0.456,472 0.973,473 0.384,474 16.467,475 0.47,476 0.729,477 0.021,478 44.75,479 1.279,480 22.5,481 0.643,482 22.25,483 0.636,484 29.619,485 0.846,486 38.133,487 0.587,488 35.913,489 1.026,490 8.969,491 0.256,492 8.06,493 0.23,494 0.101,496 0.298,501 0.774,502 1.306,503 0.791,504 1.159,505 0.589,506 1.004,507 0.868,508 0.996,509 0.885,510 0.982,511 0.55,512 0.931,513 1.178,514 1.07,515 0.952,516 1.036,517 0.859,518 0.966,519 1.16,520 0.881,521 0.939,522 0.865,523 1.112,524 0.859,525 1.256,526 1.056,527 1.118,528 1.056,529 1.436,530 1.065,531 1.112,532 1.004,533 1.063,534 0.989,535 0.997,536 1.016,537 1.001,538 1.005,539 1.114,540 1.055,541 0.81,542 1.097,543 0.948,544 1.1,545 1.083,546 1.107,547 0.798,548 1.122,549 6.5,550 0.182,551 2.889,552 2.5,553 1.933,554 0.813,555 0.645,556 0.345,557 0.3,558 0.174,559 21988,560 57641,561 2.075,562 46.2,563 3,564 22,567 1,569 2,570 2,572 1.759,573 1.963,574 4.011,575 -0.401,582 96.032,583 1.477,584 3.42,585 4.744,586 5.484,587 5.691,588 5.691,589 3.5,590 4.844,591 5.103,592 4.205,593 2502.1,594 8.909,595 43298.4,600 391.454,601 1.316,602 5.07,603 0.171,604 0.006,605 0.057,606 0.047,607 0.039,608 0.019,609 0.017,610 0.01,611 0.009,612 0.006,613 0.382,614 0.33,615 0.75,616 1.237,617 196.295,618 -0.02,619 -0.147,620 0.058,621 -0.08,622 -0.033,623 -0.01,624 0.098,625 0.108,626 0.05,627 0.022,628 0.122,629 0.032,630 -0.093,631 -0.064,632 0.026,633 -0.04,634 -0.008,635 0.007,636 0.043,637 0.099,638 0.084,639 0.094,640 0.06,641 0.099,642 -0.128,643 -0.065,644 -0.129,645 -0.068,646 -0.145,647 -0.096,648 -0.058,649 -0.044,650 -0.063,651 -0.009,652 -0.058,653 -0.034,654 -0.066,655 -0.012,656 -0.135,657 -0.076,658 -0.078,659 -0.113,660 -0.048,661 -0.127,662 -0.108,663 -0.119,664 -0.06,665 -0.127,666 2.101,667 5.666,668 0.571,669 44.661,670 1.003,671 1.121,672 2.913,673 8.487,674 0.661,675 3.664,676 3.951,677 4.19,678 4.454,679 4.682,680 4.754,681 4.86,682 4.977,683 5.024,684 4.963,685 9.7,686 0.631,687 474.6,688 3.664,689 5.187,690 6.019,691 6.882,692 7.733,693 8.607,694 9.469,695 10.349,696 11.218,697 12.103,698 3.1,701 1,705 1,715 11,720 7,722 18,727 1,737 1,739 2,741 65,743 20,744 3,745 38,747 68,748 28,749 18,750 7,751 11,752 1,756 4,757 7,763 1,770 2,772 20,773 8,777 2,782 2,786 2,793 30,794 7,795 1,796 7,802 2,808 0.5,809 5,829 4,833 2,855 1,859 2,864 2,868 35,876 6,877 1,878 3,881 1,893 7.7,896 2,898 3,901 17.833,902 12.2,903 7.861,904 4.088,907 3.534,908 1.432,909 0.966,910 8.535,911 11.718,912 3.912,913 4.449,914 4.972,915 5.527,916 6.049,917 6.26,918 6.592,919 6.948,920 7.218,921 7.394,922 1,923 53,924 12.976,926 5.428,927 0.026,929 7.757,931 24.762,933 19.84,936 2.257,937 79,941 341.362,942 179.865,943 21.135,945 83.29,948 179.865,949 424.651,950 21.135,951 17.222,952 33.989,953 104.239,954 55.423,955 66.654,956 6.763,957 341.362,959 341.362,960 201,961 83.29,964 294.278,965 130.374,968 45.939,969 155.062,972 341.362,973 104.425,974 179.865,977 341.362,978 58.405,979 124.585,980 18.011,981 83.29,982 341.362,983 104.425,984 179.865,986 0.567,987 0.322,988 0.178,989 0.098,990 22,991 10,992 0.162,993 11,994 2,995 1.2,996 4.768,997 307.189,998 0.2,999 20,1000 177.525,1005 24.927,1006 11.983,1007 6.697,1009 104.425,1010 20.132,1015 4.478,1017 18.011,1018 625.652,1019 49,1024 24.43,1028 -0.471,1031 65.211,1032 72.856,1034 0.245,1035 0.568,1036 0.788,1037 0.911,1038 0.945,1039 0.945,1040 5.133,1041 1.822,1042 5.979,1043 5.691,1044 4.635,1045 5.136,1046 2.639,1047 6.749,1048 4.558,1049 6.308,1050 1.454,1051 7.506,1052 4.924,1053 4.111,1054 4.832,1055 1.847,1056 7.551,1057 4.007,1058 7.591,1059 1.387,1060 9.134,1061 3.384,1062 6.18,1063 7.244,1064 3.582,1065 10.669,1066 6.038,1067 8.908,1068 1.34,1069 10.823,1070 3.094,1071 6.479,1072 7.753,1073 3.603,1074 12.336,1075 6.327,1076 10.258,1077 1.255,1078 12.554,1079 2.931,1080 7.999,1081 9.647,1082 4.922,1083 14.977,1084 7.818,1085 11.633,1086 1.171,1087 14.314,1088 2.643,1089 8.712,1090 10.561,1091 5.291,1092 17.037,1093 8.534,1094 13.027,1095 0.853,1096 16.099,1097 2.44,1098 9.998,1099 12.219,1100 6.39,1101 19.517,1102 9.8,1103 3.215,1104 0.42,1105 17.901,1106 2.039,1107 10.928,1108 13.351,1109 6.93,1110 21.761,1111 10.735,1112 2.762,1113 11.061,1114 19.72,1115 0.973,1116 12.117,1117 14.89,1118 7.902,1119 24.186,1120 11.913,1121 2.643,1122 8.529,1123 21.551,1124 4.198,1125 13.158,1126 16.144,1127 8.539,1128 26.514,1129 12.956,1130 2.461,1131 8.002,1132 23.394,1133 3.688,1134 14.312,1135 17.622,1136 9.436,1137 28.922,1138 14.104,1139 2.272,1140 6.915,1141 25.247,1142 3.676,1143 15.409,1144 18.946,1145 10.13,1146 31.289,1147 15.2,1148 2.182,1149 6.849,1150 27.108,1151 2.964,1152 16.555,1153 20.393,1154 10.981,1155 33.692,1156 16.341,1157 2.009,1158 6.041,1159 28.977,1160 2.895,1161 17.681,1162 21.757,1163 11.71,1164 36.077,1165 17.464,1166 20913,1167 34054,1168 25.542,1169 42.943,1170 55.374,1171 57.858,1172 56.974,1173 55.006,1174 54.981,1175 70.147,1176 10.723,1177 151.834,1178 52.906,1179 5.487,1180 5.692,1181 6.638,1182 5.302,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.18,1188 16.696,1189 1.457,1190 1.523,1191 1.499,1192 1.448,1193 1.447,1194 1.846,1195 0.282,1196 3.996,1197 1.392,1198 4.049,1199 4.057,1200 4.014,1201 3.965,1202 7.435,1203 3.975,1204 3.939,1205 3.967,1206 3.878,1207 3.856,1208 7.427,1209 3.856,1210 3.781,1211 3.807,1212 3.716,1213 3.711,1214 4.947,1215 3.708,1216 3.677,1217 3.745,1218 3.555,1219 3.486,1220 4.813,1221 3.486,1222 3.648,1223 3.714,1224 3.506,1225 3.473,1226 4.708,1227 3.467,1228 3.377,1229 3.434,1230 3.254,1231 3.157,1232 4.385,1233 3.17,1234 3.308,1235 3.354,1236 3.195,1237 3.045,1238 4.305,1239 3.075,1240 3.184,1241 3.202,1242 3.077,1243 3.003,1244 4.215,1245 3.026,1246 0.12,1247 0.097,1248 0.178,1249 0.111,1250 0.085,1251 4.553,1252 0.11,1253 3.692,1254 0.058,1255 6.774,1256 0.291,1257 4.203,1258 0.084,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.058,1267 2.084,1268 1.254,1269 2.073,1270 1.91,1271 1.885,1272 2.032,1273 2.024,1274 1.165,1275 2.027,1276 1.775,1277 1.751,1278 1.924,1279 1.896,1280 1.157,1281 1.902,1282 1.648,1283 1.579,1284 1.91,1285 1.863,1286 1.112,1287 1.881,1288 1.632,1289 1.561,1290 1.855,1291 1.811,1292 0.974,1293 1.829,1294 1.33,1295 1.263,1296 1.632,1297 1.585,1298 0.78,1299 1.6,1300 1.186,1301 1.144,1302 1.455,1303 1.516,1304 0.53,1305 1.496,1306 1.125,1307 1.103,1308 1.353,1309 1.313,1310 0.497,1311 1.294,1312 4.344,1314 5.638,1316 7.128,1318 8.719,1320 10.37,1322 4.029,1328 4.365,1329 2.702,1330 17.148,1333 2.186,1340 40.992,1341 96.032,1342 222.288,1343 308.381,1344 356.434,1345 369.944,1346 369.944,1347 69.91,1348 8.185,1349 81.01,1350 81.01,1351 24,1352 12.639,1353 4.392,1354 3.585,1355 60.164,1356 210,1357 214,1358 0.137,1359 251.151,1360 447.73,1361 604.568,1362 52427,1364 24.623,1365 0.704,1366 0.574,1367 24.623,1368 20.082,1369 17.029,1370 0.448,1371 0.312,1372 11.675,1373 16.339,1374 11.381,1375 9.502,1376 17.029,1377 11.848,1378 14.913,1379 0.292,1380 0.166,1381 14.913,1382 8.489,1383 12.046,1384 0.185,1385 0.086,1386 12.046,1387 5.583,1388 10.22,1389 0.12,1390 0.045,1391 10.22,1392 3.864,1393 8.177,1394 0.076,1395 0.024,1396 8.177,1397 2.543,1398 0.227,1399 107.022,1400 0.198,1401 33.372,1402 0.342,1403 178,1404 554.656,1405 198.077,1406 522.388,1407 710.15,1408 490,1409 205,1410 519.723,1411 224.445,1412 520.389,1413 761.91,1414 489,1415 7.553}
{0 CHEMBL336398,1 1.713,2 9.28,3 4.887,4 23.884,5 100.519,6 8.195,7 0.393,8 3.935,9 4.053,10 3.64,11 3.537,12 4.92,13 3.477,14 4.496,15 4.678,16 3.992,17 3.907,18 5.467,19 3.807,20 4.72,21 4.954,22 4.065,23 3.997,24 5.674,25 3.858,26 4.68,27 4.92,28 3.961,29 3.827,30 5.748,31 3.74,32 4.485,33 4.691,34 3.95,35 3.778,36 5.559,37 3.722,38 4.51,39 4.678,40 4.016,41 3.895,42 5.641,43 3.802,44 4.522,45 4.685,46 3.867,47 3.911,48 5.57,49 3.789,50 4.619,51 4.83,52 3.766,53 3.948,54 5.498,55 3.788,56 0.031,57 0.713,58 9.16,59 4.435,60 4.207,61 5.682,62 0.285,63 1.177,64 21.757,65 7.752,66 18.118,67 10.167,68 0.275,69 1.328,70 31.841,71 10.475,72 32.178,73 13.457,74 0.476,75 1.272,76 34.037,77 8.787,78 49.355,79 10.74,80 0.295,81 1.145,82 20.826,83 6.114,84 32.052,85 7.586,86 0.414,87 1.202,88 26.837,89 7.363,90 42.175,91 8.027,92 0.259,93 1.147,94 25.213,95 8.531,96 29.798,97 9.845,98 0.272,99 1.139,100 27.979,101 9.745,102 34.802,103 12.297,104 5,105 39,106 0.296,107 0.581,108 0.724,109 0.796,110 0.796,111 0.796,112 3.268,113 1.095,114 -6.19,115 -6.03,116 -5.61,121 39.1,123 5,124 1,127 3,144 4,145 1,146 1,151 1,161 1,164 1,168 1,176 9,179 5,180 6,187 8,191 2,192 7,200 6,205 2,206 14,214 2,219 13,227 2,232 13,239 5,244 10,251 7,264 14,269 2,277 15,281 981,282 17.154,283 17.154,284 17.154,285 17.154,286 17.154,287 15.779,288 13.699,289 10.155,290 17.722,291 13.826,292 13.826,293 13.826,294 13.826,295 13.826,296 11.638,297 11.966,298 4.867,299 14.815,300 3.811,301 2.154,302 1.331,303 0.913,304 0.913,305 0.913,306 3.955,308 1,311 1,312 1,313 510,314 2.915,315 48.235,317 72.063,318 171.81,325 1.411,326 21.945,328 1,329 0.75,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.94,337 53.333,338 232,339 4.505,340 4.455,341 6.667,342 4.094,343 3.166,344 4.185,345 2.95,346 10.715,347 2.944,348 4.098,349 3.741,350 6.127,351 3.745,352 2.783,353 3.637,354 1.678,355 8.958,356 2.672,357 3.766,358 3.036,359 5.69,360 3.647,361 2.664,362 3.075,363 0.527,364 7.598,365 2.621,366 3.656,367 2.929,368 5.483,369 3.378,370 2.462,371 2.752,373 7.311,374 2.237,375 3.478,376 2.66,377 5.03,378 3.083,379 2.194,380 2.627,382 6.029,383 1.896,384 2.952,385 2.407,386 4.639,387 2.719,388 1.766,389 1.985,391 4.652,392 1.654,393 2.746,394 2.26,395 4.254,396 2.273,397 1.381,398 1.837,400 3.793,401 1.201,402 2.5,403 1.708,404 3.781,405 2.172,406 1.231,407 1.5,409 3.016,410 1.137,411 2.424,412 1.411,413 3.414,414 2,415 1,416 1.404,418 2.275,419 1,420 2.051,421 1.275,422 3.299,423 1.984,424 1,425 1,427 2.136,428 0.983,429 2,430 1.077,431 3.285,432 1.628,433 0.729,434 0.804,436 1.761,437 0.631,438 1.854,439 1,440 3.247,441 1.559,442 0.556,443 0.773,445 1.44,446 0.552,447 1.122,448 0.399,449 2.554,450 0.68,451 -0.181,452 -0.217,454 -0.409,455 -0.127,456 0.81,457 0.227,458 2.486,459 0.574,460 -0.313,461 -0.349,463 -0.756,464 -0.269,465 0.5,466 -0.172,467 2.168,468 0.265,469 -0.747,470 -0.794,472 -1.607,473 -0.741,474 12.481,475 0.499,476 0.554,477 0.022,478 28.5,479 1.14,480 12,481 0.48,482 16.5,483 0.66,484 23.836,485 0.953,486 27.119,487 0.59,488 17.955,489 0.718,490 4.694,491 0.188,492 7.509,493 0.3,494 0.084,496 0.304,501 0.599,502 1.305,503 0.634,504 0.947,505 0.48,506 0.94,507 0.542,508 1.204,509 0.84,510 1.096,511 0.471,512 1.039,513 0.785,514 1.111,515 0.851,516 0.972,517 0.697,518 0.904,519 1.507,520 1.056,521 1.028,522 0.95,523 1.638,524 0.775,525 1.77,526 1.089,527 0.774,528 0.653,529 1.797,530 0.703,531 1.839,532 1.055,533 1.419,534 1.159,535 1.753,536 0.975,537 1.391,538 1.203,539 1.325,540 1.373,541 1.58,542 1.249,543 1.064,544 0.918,545 0.841,546 0.976,547 1.38,548 1.138,549 4.5,550 0.092,551 2.944,552 1.479,553 1.268,554 0.848,555 0.427,556 0.38,557 0.186,558 0.101,559 7260,560 18257,561 2.154,562 45.7,563 6,564 10,569 5,572 1.687,573 2.055,574 3.182,575 -0.711,582 78.787,583 1.713,584 3.369,585 4.193,586 4.611,587 4.611,588 4.611,589 2.661,590 3.974,591 4.61,592 3.353,593 1005.92,594 8.012,595 12242.9,597 1,600 254.084,601 1.26,602 4.592,603 0.161,604 0.008,605 0.082,606 0.041,607 0.037,608 0.024,609 0.012,610 0.012,611 0.007,612 0.005,613 0.39,614 0.17,615 0.88,616 0.477,617 119.557,618 0.062,619 -0.125,620 0.056,621 -0.013,622 0.041,623 -0.002,624 0.273,625 -0.081,626 0.017,627 -0.113,628 0.144,629 -0.093,630 0.131,631 -0.12,632 0.136,633 0.038,634 0.156,635 0.083,636 -0.074,637 -0.004,638 0.015,639 0.043,640 -0.04,641 0.138,642 -0.34,643 0.078,644 0.034,645 0.214,646 -0.255,647 0.137,648 -0.374,649 0.22,650 -0.275,651 -0.025,652 -0.208,653 -0.095,654 -0.246,655 -0.065,656 -0.323,657 -0.272,658 -0.182,659 -0.305,660 -0.173,661 0.037,662 -0.082,663 -0.041,664 -0.188,665 -0.157,666 1.717,667 5.932,668 0.8,669 22.49,670 1.002,671 1.126,672 4.961,673 24.611,674 0.692,675 3.367,676 3.689,677 3.912,678 4.143,679 4.369,680 4.477,681 4.595,682 4.718,683 4.812,684 4.762,685 5.765,686 0.643,687 376.95,688 3.367,689 4.905,690 5.759,691 6.632,692 7.504,693 8.384,694 9.264,695 10.15,696 11.035,697 11.924,698 8.7,705 1,706 1,708 2,715 4,716 2,720 4,721 1,722 11,740 1,741 46,743 12,744 1,745 28,747 49,748 18,749 8,750 2,751 4,752 1,756 4,757 4,758 1,761 1,767 5,768 1,770 5,772 9,773 9,774 1,777 1,782 1,786 1,793 21,794 4,796 7,797 2,802 4,808 1,809 1,826 1,828 1,829 2,859 4,860 1,862 1,865 1,868 25,876 8,879 1,880 1,881 1,890 1,892 1,893 2.2,896 1,901 12.167,902 8.193,903 5.444,904 3.11,907 1.971,908 1.279,909 0.991,910 5.229,911 9.023,912 3.57,913 4.107,914 4.626,915 5.153,916 5.604,917 5.935,918 6.26,919 6.609,920 6.953,921 7.051,922 1,923 36,924 9.309,926 4.025,927 0.026,929 7.604,931 18.278,933 15.643,936 2.104,937 52.611,940 1,941 247.193,942 101.891,943 38.349,944 39.149,945 25.145,947 32.22,948 69.672,949 311.487,950 38.349,952 20.908,953 37.905,954 58.593,955 11.484,956 4.276,957 279.413,958 39.149,959 247.193,960 108.021,961 25.145,962 71.368,964 190.666,965 84,968 23.378,969 48.867,970 72.597,971 32.22,972 247.193,973 63.494,974 141.04,977 247.193,978 63.986,979 42.806,981 97.742,982 247.193,983 63.494,984 141.04,986 0.582,987 0.32,988 0.165,989 0.092,990 20,991 8,992 0.082,993 4,995 1,996 3.821,997 209.501,999 20,1000 106.096,1001 1,1005 17.231,1006 7.587,1007 4.319,1009 61.718,1010 7.424,1011 9.184,1015 2.839,1016 1.502,1018 451.727,1019 34.5,1024 12.932,1028 -0.05,1031 46.087,1032 51.803,1034 0.31,1035 0.61,1036 0.759,1037 0.835,1038 0.835,1039 0.835,1040 4.818,1041 1.231,1042 5.733,1043 3.793,1044 4.369,1045 4.792,1046 3.158,1047 6.529,1048 4.24,1049 6.002,1050 1,1051 7.286,1052 3.016,1053 4.007,1054 4.59,1055 1.305,1056 7.452,1057 3.801,1058 7.298,1059 1,1060 8.939,1061 2.275,1062 5.969,1063 6.896,1064 5.094,1065 10.503,1066 5.724,1067 8.628,1068 0.729,1069 10.651,1070 2.136,1071 6.399,1072 7.526,1073 2.419,1074 12.235,1075 6.085,1076 9.991,1077 0.556,1078 12.401,1079 1.761,1080 7.849,1081 9.324,1082 7.204,1083 14.828,1084 7.494,1085 11.377,1086 -0.181,1087 14.177,1088 1.44,1089 8.633,1090 10.341,1091 3.517,1092 16.896,1093 8.21,1094 12.781,1095 -0.313,1096 15.972,1097 -0.409,1098 9.881,1099 11.93,1100 9.354,1101 19.335,1102 9.41,1103 3.166,1104 -0.747,1105 17.782,1106 -0.756,1107 10.837,1108 13.14,1109 4.595,1110 21.557,1111 10.295,1112 2.783,1113 10.715,1114 19.604,1115 -1.607,1116 12.002,1117 14.636,1118 11.513,1119 23.943,1120 11.405,1121 2.664,1122 8.958,1123 21.435,1124 4.185,1125 13.044,1126 15.947,1127 5.656,1128 26.237,1129 12.373,1130 2.462,1131 7.598,1132 23.274,1133 3.637,1134 14.18,1135 17.4,1136 13.675,1137 28.605,1138 13.446,1139 2.194,1140 7.311,1141 25.12,1142 3.075,1143 15.265,1144 18.764,1145 6.706,1146 30.935,1147 14.455,1148 1.766,1149 6.029,1150 26.972,1151 2.752,1152 16.394,1153 20.199,1154 15.839,1155 33.298,1156 15.515,1157 1.381,1158 4.652,1159 28.828,1160 2.627,1161 17.503,1162 21.59,1163 7.75,1164 35.647,1165 16.547,1166 6826,1167 11016,1168 19.186,1169 31.836,1170 42.489,1171 46.094,1172 42.98,1173 42.107,1174 41.866,1175 51.156,1176 10.31,1177 119.367,1178 39.058,1179 5.505,1180 6.455,1181 6.469,1182 5.255,1183 5.166,1184 7.185,1185 5.9,1186 17.905,1187 4.944,1188 8.875,1189 1.517,1190 1.646,1191 1.535,1192 1.504,1193 1.495,1194 1.827,1195 0.368,1196 4.263,1197 1.395,1198 4.023,1199 4.07,1200 4.117,1201 3.91,1202 7.429,1203 3.908,1204 3.885,1205 3.933,1206 3.958,1207 3.814,1208 5.041,1209 3.788,1210 3.843,1211 3.896,1212 3.769,1213 3.69,1214 4.87,1215 3.693,1216 3.698,1217 3.751,1218 3.664,1219 3.523,1220 4.289,1221 3.532,1222 3.19,1223 3.239,1224 3.378,1225 2.969,1226 4.262,1227 2.988,1228 3.111,1229 3.206,1230 3.248,1231 2.958,1232 4.233,1233 2.91,1234 2.978,1235 3.031,1236 2.968,1237 2.941,1238 3.674,1239 2.867,1240 2.854,1241 2.925,1242 2.866,1243 2.735,1244 3.648,1245 2.715,1246 0.161,1247 0.159,1248 0.238,1249 0.146,1250 0.113,1251 4.505,1252 0.149,1253 4.455,1254 0.105,1255 6.667,1256 0.383,1257 4.094,1258 0.105,1259 3.166,1260 4.185,1261 2.95,1262 10.715,1263 2.944,1264 1.893,1265 1.872,1266 2.043,1267 2.025,1268 1.394,1269 2.029,1270 1.822,1271 1.759,1272 1.975,1273 1.962,1274 1.084,1275 1.974,1276 1.507,1277 1.473,1278 1.642,1279 1.711,1280 1.075,1281 1.693,1282 1.325,1283 1.269,1284 1.513,1285 1.546,1286 0.825,1287 1.564,1288 1.165,1289 1.126,1290 1.513,1291 1.376,1292 0.825,1293 1.429,1294 1.153,1295 1.064,1296 1.45,1297 1.376,1298 0.643,1299 1.429,1300 1.153,1301 1.064,1302 1.199,1303 1.348,1304 0.417,1305 1.318,1306 0.948,1307 0.864,1308 1.187,1309 1.23,1310 0.26,1311 1.242,1312 4.043,1313 1.946,1314 5.361,1315 3.932,1316 6.87,1317 5.82,1318 8.457,1319 7.664,1320 10.085,1323 5.968,1328 8.51,1331 1.644,1332 0.763,1333 1.894,1340 29.556,1341 78.787,1342 154.987,1343 192.865,1344 212.084,1345 212.084,1346 212.084,1347 38.81,1348 7.053,1349 51.02,1350 76.32,1351 20,1352 12.454,1353 3.7,1354 2.907,1355 35.627,1356 83,1357 92,1358 0.205,1359 186.932,1360 319.39,1361 447.874,1362 9475,1363 2.2,1364 17.225,1365 0.689,1366 0.624,1367 18.079,1368 15.599,1369 12.204,1370 0.436,1371 0.365,1372 8.879,1373 11.092,1374 8.604,1375 7.077,1376 12.946,1377 10.22,1378 10.953,1379 0.281,1380 0.209,1381 11.912,1382 8.145,1383 8.936,1384 0.182,1385 0.117,1386 9.932,1387 5.757,1388 7.068,1389 0.114,1390 0.065,1391 8.032,1392 4.052,1393 5.7,1394 0.073,1395 0.036,1396 6.65,1397 2.846,1398 0.313,1399 83.444,1400 0.228,1401 24.134,1402 0.586,1403 134,1404 365.38,1405 184.676,1406 403.901,1407 546.52,1408 378,1409 158,1410 373.061,1411 201.646,1412 396.106,1413 588.12,1414 373,1415 7}
{0 CHEMBL33642,1 1.308,2 13.519,3 5.843,4 34.142,5 111.127,6 5.914,7 0.207,8 4.187,9 4.33,10 3.552,11 3.69,12 5.051,13 3.62,14 4.815,15 5.033,16 3.912,17 4.128,18 5.643,19 4.018,20 5.124,21 5.385,22 3.96,23 4.308,24 5.832,25 4.16,26 5.203,27 5.477,28 3.887,29 4.316,30 5.932,31 4.141,32 5.181,33 5.474,34 3.813,35 4.208,36 5.926,37 4.032,38 5.038,39 5.313,40 3.667,41 4.066,42 5.819,43 3.899,44 4.901,45 5.182,46 3.592,47 3.928,48 5.725,49 3.768,50 4.78,51 5.045,52 3.452,53 3.773,54 5.729,55 3.637,56 0.073,57 0.871,58 15.928,59 6.453,60 8.637,61 9.288,62 0.403,63 1.444,64 29.204,65 10.859,66 34.17,67 16.045,68 0.299,69 1.8,70 38.326,71 14.108,72 28.207,73 20.947,74 0.335,75 1.86,76 41.12,77 14.948,78 38.082,79 22.212,80 0.358,81 1.709,82 39.91,83 13.887,84 41.831,85 20.736,86 0.442,87 1.457,88 35.198,89 11.96,90 39.836,91 17.577,92 0.28,93 1.294,94 30.477,95 10.32,96 33.219,97 15.43,98 0.478,99 1.12,100 28.012,101 8.271,102 48.813,103 12.448,104 32,105 40,106 0.214,107 0.457,108 0.685,109 0.834,110 0.884,111 0.884,112 3.339,113 1.129,114 -5.06,115 -4.96,116 -4.64,121 36.5,122 3,123 8,125 1,127 3,129 1,144 3,145 2,146 1,161 1,176 14,179 1,180 6,183 2,185 1,187 16,192 6,197 1,200 14,206 8,211 3,214 8,219 8,224 3,227 9,231 1,232 4,237 3,239 7,244 5,249 4,251 7,255 1,256 3,259 1,264 7,269 3,277 9,281 1209,282 18.394,283 18.394,284 18.394,285 18.394,286 18.394,287 17.553,288 22.483,289 11.297,290 18.675,291 14.273,292 14.273,293 14.273,294 14.273,295 14.273,296 12.893,297 28.055,298 5.289,299 14.719,300 4.669,301 3.185,302 1.791,303 0.885,304 0.576,305 0.576,306 4.021,312 1,313 769,314 4.301,317 111.985,318 65.118,320 90.476,321 97.298,324 136.057,325 2.055,326 18.682,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 57,338 365,339 4.78,340 3.899,341 7.934,342 4.676,343 3.685,344 4.16,345 2.186,346 14.944,347 3.652,348 3.989,349 3.662,350 6.172,351 3.65,352 2.698,353 3.315,354 0.8,355 8.745,356 2.573,357 3.671,358 2.864,359 5.675,360 3.37,361 2.435,362 2.876,363 0.366,364 7.506,365 2.26,366 3.364,367 2.599,368 5.407,369 3.222,370 2.251,371 2.522,373 7.011,374 2.171,375 3.3,376 2.394,377 4.805,378 2.969,379 1.996,380 2.402,382 5.423,383 1.933,384 2.843,385 1.9,386 4.681,387 2.808,388 1.81,389 1.842,391 4.178,392 1.802,393 2.64,394 1.576,395 4.15,396 2.415,397 1.433,398 1.677,400 3.617,401 1.404,402 2.43,403 1.566,404 3.827,405 2.368,406 1.375,407 1.421,409 2.989,410 1.362,411 2.317,412 1.192,413 3.4,414 2.116,415 1.127,416 1.3,418 2.663,419 1.113,420 2.07,421 1.078,422 3.371,423 2.02,424 1.033,425 1.066,427 1.947,428 1.018,429 1.846,430 1.036,431 3.085,432 1.78,433 0.804,434 0.822,436 1.469,437 0.781,438 1.558,439 0.85,440 2.955,441 1.402,442 0.423,443 0.458,445 0.943,446 0.412,447 1.174,448 0.488,449 2.821,450 1.106,451 0.14,452 0.143,454 0.253,455 0.134,456 1.124,457 0.295,458 2.545,459 0.863,460 -0.109,461 -0.123,463 -0.232,464 -0.105,465 0.699,466 -0.077,467 2.401,468 0.467,469 -0.492,470 -0.514,472 -0.968,473 -0.469,474 12.967,475 0.48,476 0.592,477 0.022,478 24.5,479 0.907,480 8,481 0.296,482 16.5,483 0.611,484 31.904,485 1.182,486 32.033,487 0.508,488 15.291,489 0.566,490 3.74,491 0.139,492 9.34,493 0.346,494 0.141,495 0.039,496 0.224,501 0.799,502 1.476,503 1.038,504 1.323,505 0.621,506 1.217,507 0.629,508 1.133,509 0.99,510 1.087,511 0.393,512 1.068,513 0.939,514 1.071,515 0.992,516 1.035,517 0.658,518 1.016,519 0.986,520 1.103,521 1.048,522 1.097,523 0.859,524 1.079,525 1.109,526 0.993,527 0.925,528 0.969,529 1.148,530 0.934,531 1.608,532 0.945,533 1.083,534 0.951,535 1.401,536 0.971,537 1.283,538 1.112,539 0.96,540 1.038,541 1.474,542 0.98,543 2.321,544 0.802,545 1.263,546 0.831,547 3.08,548 0.927,549 5.5,550 0.11,551 3.333,552 2.396,553 1.366,554 0.799,555 0.553,556 0.322,557 0.257,558 0.135,559 9154,560 15285,561 2.026,562 57.1,563 17,564 10,567 1,569 8,572 1.696,573 1.895,574 3.64,575 -0.419,582 82.409,583 1.308,584 2.792,585 4.186,586 5.092,587 5.402,588 5.402,589 3.204,590 4.681,591 4.711,592 3.817,593 1339.64,594 8.161,595 17824.5,600 376.569,601 1.514,602 4.676,603 0.19,604 0.006,605 0.083,606 0.058,607 0.038,608 0.024,609 0.02,610 0.012,611 0.012,612 0.007,613 0.451,614 0.33,615 1,616 2.373,617 136.555,618 0.022,619 -0.128,620 0.059,621 -0.046,622 -0.002,623 0.002,624 0.305,625 0.055,626 0.061,627 0.025,628 0.247,629 0.02,630 -0.034,631 -0.004,632 0.013,633 0.004,634 0.019,635 0.013,636 -0.04,637 -0.082,638 -0.056,639 -0.086,640 0.016,641 -0.073,643 -0.04,644 0.064,645 -0.01,646 0.002,647 0.029,648 -0.074,649 0.007,650 -0.046,651 0.007,652 -0.11,653 -0.016,654 0.003,655 -0.152,656 0.053,657 -0.074,658 -0.019,659 -0.016,660 -0.185,661 0.186,662 -0.144,663 0.066,664 -0.298,665 -0.022,666 1.996,667 5.105,668 0.444,669 32.815,670 0.982,671 1.135,672 3.829,673 14.663,674 0.617,675 3.401,676 3.714,677 4.007,678 4.317,679 4.533,680 4.673,681 4.86,682 4.942,683 4.949,684 4.977,685 7.379,686 0.562,687 372.61,688 3.401,689 4.934,690 5.79,691 6.688,692 7.584,693 8.506,694 9.425,695 10.36,696 11.292,697 12.236,698 3.2,701 1,705 1,715 3,720 3,722 6,737 1,741 63,743 7,744 1,745 29,747 65,748 23,749 6,750 3,751 3,756 3,757 6,763 3,764 1,766 1,767 3,770 9,772 7,773 16,777 1,782 1,786 1,793 36,794 4,795 1,796 4,802 2,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 3,868 27,876 11,877 1,878 1,880 1,881 1,882 1,893 3.2,896 1,898 1,901 14.25,902 11.867,903 6.181,904 4.649,907 1.281,908 1.172,909 0.925,910 7.078,911 8.74,912 3.526,913 3.98,914 4.434,915 4.944,916 5.416,917 5.669,918 6.043,919 6.302,920 6.379,921 6.487,922 1,923 41,924 10.098,926 4.184,927 0.026,929 7.454,931 20.335,933 17.176,936 1.954,937 52.75,941 411.989,942 99.875,943 21.135,945 36.145,948 99.875,949 448.133,950 21.135,951 26.476,952 44.604,953 28.429,954 25.145,955 25.739,956 6.763,957 411.989,959 411.989,960 121.01,961 36.145,964 317.82,965 130.314,968 74.204,969 46.806,972 411.989,973 57.28,974 99.875,977 411.989,978 44.97,979 58.029,980 18.011,981 36.145,982 411.989,983 57.28,984 99.875,986 0.562,987 0.326,988 0.181,989 0.099,990 18,991 8,992 0.154,993 10,994 2,995 1.333,996 3.94,997 220.373,998 0.333,999 12,1000 126.382,1005 20.512,1006 9.317,1007 4.616,1009 57.28,1010 6.232,1015 3.482,1017 18.011,1018 569.143,1019 33,1024 12.105,1028 -0.329,1031 61.879,1032 71.474,1034 0.219,1035 0.467,1036 0.7,1037 0.852,1038 0.904,1039 0.904,1040 4.792,1041 1.375,1042 5.796,1043 3.617,1044 4.394,1045 4.663,1046 2.351,1047 6.696,1048 4.337,1049 5.951,1050 1.127,1051 7.41,1052 2.989,1053 4.111,1054 4.494,1055 1.847,1056 8.069,1057 4.039,1058 7.262,1059 1.033,1060 9.159,1061 2.663,1062 6.089,1063 6.68,1064 3.504,1065 11.231,1066 5.987,1067 8.618,1068 0.804,1069 10.997,1070 1.947,1071 6.735,1072 7.368,1073 3.598,1074 13.536,1075 6.639,1076 10.022,1077 0.423,1078 12.899,1079 1.469,1080 8.217,1081 9.086,1082 4.907,1083 16.346,1084 8.104,1085 11.459,1086 0.14,1087 14.847,1088 0.943,1089 9.27,1090 10.151,1091 5.29,1092 18.939,1093 9.166,1094 12.922,1095 -0.109,1096 16.827,1097 0.253,1098 10.607,1099 11.701,1100 6.387,1101 21.67,1102 10.494,1103 3.685,1104 -0.492,1105 18.831,1106 -0.232,1107 11.818,1108 12.943,1109 6.93,1110 24.342,1111 11.71,1112 2.698,1113 14.944,1114 20.853,1115 -0.968,1116 13.121,1117 14.425,1118 7.902,1119 27.054,1120 13.006,1121 2.435,1122 8.745,1123 22.888,1124 4.16,1125 14.39,1126 15.754,1127 8.539,1128 29.749,1129 14.274,1130 2.251,1131 7.506,1132 24.932,1133 3.315,1134 15.688,1135 17.205,1136 9.436,1137 32.455,1138 15.566,1139 1.996,1140 7.011,1141 26.983,1142 2.876,1143 16.979,1144 18.579,1145 10.13,1146 35.157,1147 16.851,1148 1.81,1149 5.423,1150 29.04,1151 2.522,1152 18.278,1153 20.016,1154 10.981,1155 37.862,1156 18.144,1157 1.433,1158 4.178,1159 31.1,1160 2.402,1161 19.576,1162 21.414,1163 11.71,1164 40.565,1165 19.435,1166 9141,1167 11993,1168 19.068,1169 38.864,1170 42.381,1171 43.579,1172 44.843,1173 42.431,1174 42.417,1175 48.009,1176 6.705,1177 123.37,1178 41.228,1179 5.743,1180 5.899,1181 7.897,1182 5.754,1183 5.685,1184 7.16,1185 3.889,1186 23.408,1187 5.652,1188 13.834,1189 1.461,1190 1.503,1191 1.546,1192 1.463,1193 1.463,1194 1.655,1195 0.231,1196 4.254,1197 1.422,1198 4.101,1199 4.134,1200 4.039,1201 4.029,1202 7.435,1203 4.027,1204 3.785,1205 3.851,1206 3.662,1207 3.648,1208 4.819,1209 3.631,1210 3.729,1211 3.778,1212 3.604,1213 3.591,1214 4.416,1215 3.593,1216 3.582,1217 3.652,1218 3.442,1219 3.393,1220 4.257,1221 3.386,1222 3.511,1223 3.583,1224 3.323,1225 3.37,1226 4.155,1227 3.349,1228 3.347,1229 3.403,1230 3.196,1231 3.11,1232 4.065,1233 3.129,1234 3.165,1235 3.242,1236 2.984,1237 3.006,1238 3.975,1239 2.991,1240 3.132,1241 3.234,1242 2.906,1243 2.932,1244 3.744,1245 2.912,1246 0.165,1247 0.134,1248 0.274,1249 0.161,1250 0.127,1251 4.78,1252 0.143,1253 3.899,1254 0.075,1255 7.934,1256 0.515,1257 4.676,1258 0.126,1259 3.685,1260 4.16,1261 2.186,1262 14.944,1263 3.652,1264 1.911,1265 1.893,1266 2.04,1267 1.998,1268 1.379,1269 2.003,1270 1.782,1271 1.718,1272 2.013,1273 1.948,1274 1.313,1275 1.98,1276 1.701,1277 1.64,1278 1.94,1279 1.893,1280 1.255,1281 1.911,1282 1.624,1283 1.564,1284 1.858,1285 1.795,1286 1.128,1287 1.815,1288 1.563,1289 1.489,1290 1.849,1291 1.763,1292 1.12,1293 1.796,1294 1.389,1295 1.315,1296 1.676,1297 1.611,1298 0.935,1299 1.64,1300 1.27,1301 1.204,1302 1.578,1303 1.551,1304 0.778,1305 1.558,1306 1.111,1307 1.039,1308 1.452,1309 1.35,1310 0.599,1311 1.382,1312 4.078,1314 5.389,1315 3.045,1316 6.903,1317 5.587,1318 8.531,1319 7.832,1320 10.233,1322 6.854,1328 12.512,1329 2.886,1330 5.572,1332 0.597,1333 2.645,1334 0.194,1340 35.428,1341 82.409,1342 175.898,1343 263.717,1344 320.794,1345 340.304,1346 340.304,1347 51.173,1348 7.458,1349 41.57,1350 41.57,1351 16,1352 12.732,1353 3,1354 2.322,1355 47.442,1356 117,1357 156,1358 0.199,1359 219.086,1360 387.5,1361 526.329,1362 17121,1364 19.278,1365 0.714,1366 0.643,1367 19.278,1368 17.351,1369 13.08,1370 0.451,1371 0.376,1372 10.821,1373 12.719,1374 10.48,1375 8.794,1376 13.08,1377 10.913,1378 11.378,1379 0.284,1380 0.212,1381 11.378,1382 8.473,1383 9.421,1384 0.174,1385 0.12,1386 9.421,1387 6.476,1388 7.97,1389 0.108,1390 0.067,1391 7.97,1392 4.924,1393 6.334,1394 0.069,1395 0.038,1396 6.334,1397 3.462,1398 0.321,1399 80.902,1400 0.229,1401 26.493,1402 0.522,1403 138,1404 305.449,1405 148.889,1406 293.188,1407 406.75,1408 276,1409 163,1410 305.064,1411 172.978,1412 307.111,1413 454.43,1414 290,1415 7.032}
{0 CHEMBL336524,1 1.852,2 7.95,3 3.499,4 12.24,5 81.184,6 8.881,7 0.524,8 3.651,9 3.768,10 3.42,11 3.222,12 4.791,13 3.168,14 4.154,15 4.344,16 3.807,17 3.559,18 5.279,19 3.488,20 4.244,21 4.409,22 3.836,23 3.633,24 5.473,25 3.539,26 4.325,27 4.539,28 3.759,29 3.485,30 5.573,31 3.453,32 4.152,33 4.35,34 3.683,35 3.526,36 5.264,37 3.446,38 4.197,39 4.362,40 3.603,41 3.556,42 5.373,43 3.415,44 4.094,45 4.255,46 3.396,47 3.447,48 5.252,49 3.322,50 4.27,51 4.53,52 3.235,53 3.45,54 5.158,55 3.211,56 0.06,57 0.548,58 5.913,59 3.137,60 4.622,61 3.793,62 0.329,63 0.843,64 16.589,65 5.193,66 15.478,67 6.415,68 0.229,69 0.871,70 19.879,71 6.545,72 24.246,73 7.565,74 0.507,75 0.886,76 20.926,77 4.991,78 52.853,79 5.768,80 0.261,81 0.855,82 13.015,83 4.291,84 20.862,85 5.022,86 0.329,87 0.831,88 22.094,89 6.48,90 29.084,91 6.497,92 0.251,93 0.68,94 13.784,95 5.369,96 28.851,97 6.161,98 0.208,99 0.713,100 20.969,101 7.265,102 26.616,103 9.53,104 34,105 29,106 0.342,107 0.652,108 0.757,109 0.778,110 0.778,111 0.778,112 3.058,113 1.066,114 -4.97,115 -4.88,116 -4.57,121 37.1,122 1,126 2,127 1,144 4,145 1,146 1,151 1,161 1,164 1,168 1,176 4,179 5,180 4,187 7,191 2,192 6,200 4,205 2,206 10,214 2,219 5,227 2,232 8,239 3,244 5,251 2,264 3,269 2,281 466,282 13.146,283 13.146,284 13.146,285 13.146,286 13.146,287 11.771,288 10.536,289 7.768,290 13.877,291 10.288,292 10.288,293 10.288,294 10.288,295 10.288,296 8.087,297 8.43,298 3.586,299 11.367,300 3.277,301 1.602,302 1.036,303 0.922,304 0.922,305 0.922,306 3.709,308 1,310 1,311 1,312 1,313 320,314 3.24,317 58.465,318 68.444,325 1.26,326 19.16,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 43.333,338 159,339 4.499,340 4.442,341 6.632,342 4.077,343 3.149,344 4.184,345 2.95,346 10.577,347 2.929,348 4.085,349 3.711,350 6.091,351 3.706,352 2.742,353 3.633,354 1.678,355 8.783,356 2.636,357 3.708,358 2.996,359 5.479,360 3.279,361 2.378,362 3.046,363 0.527,364 6.724,365 2.114,366 3.446,367 2.848,368 5.026,369 3.035,370 2.16,371 2.671,373 5.997,374 1.831,375 2.773,376 2.569,377 4.365,378 2.372,379 1.508,380 1.865,382 3.947,383 1.278,384 2.608,385 2.004,386 4.242,387 2.209,388 1.286,389 1.63,391 3.597,392 1.158,393 2.5,394 1.722,395 3.414,396 2,397 1,398 1.5,400 2.275,401 1,402 2.078,403 1.276,404 3.155,405 1.794,406 0.9,407 1.013,409 1.589,410 0.785,411 2.049,412 1,413 3.088,414 1.523,415 0.499,416 0.721,418 1.198,419 0.501,420 1.123,421 0.402,422 2.53,423 0.655,424 -0.189,425 -0.234,427 -0.406,428 -0.13,429 0.74,430 0.231,431 2,432 0.442,433 -0.435,434 -0.492,436 -0.757,437 -0.369,438 0.5,439 -0.334,440 2,442 -1,443 -1,445 -2,446 -0.87,447 0.25,448 -0.455,449 1.748,450 -0.1,451 -1,452 -1.348,454 -2.828,455 -0.9,456 0.065,457 -0.6,458 1.675,459 -0.159,460 -1.095,461 -1.4,463 -2.95,464 -1,466 -0.882,467 1.417,468 -0.343,469 -1.196,470 -1.5,472 -3,473 -1.036,474 9.981,475 0.499,476 0.562,477 0.028,478 25,479 1.25,480 12,481 0.6,482 13,483 0.65,484 15.886,485 0.794,486 21.819,487 0.623,488 16.884,489 0.844,490 4.772,491 0.239,492 4.752,493 0.238,494 0.255,496 0.331,501 0.634,502 1.426,503 0.619,504 0.96,505 0.577,506 0.948,507 0.608,508 0.934,509 0.773,510 0.852,511 0.533,512 0.71,513 0.883,514 1.416,515 1.101,516 1.295,517 0.865,518 1.068,519 1.775,520 0.959,521 0.881,522 0.667,523 1.964,524 0.685,525 1.332,526 0.963,527 0.828,528 0.682,529 0.908,530 0.808,531 1.308,532 1.21,533 1.6,534 1.628,535 1.238,536 1.315,537 1.316,538 1.072,539 1.046,540 1.173,541 1.724,542 1.3,543 0.544,544 1.018,545 0.612,546 0.991,547 0.792,548 1.272,549 4.5,551 2.667,552 1.319,553 1.282,554 0.969,555 0.392,556 0.268,557 0.172,558 0.107,559 3226,560 11109,561 1.938,562 42.9,564 12,569 3,572 1.623,573 1.765,574 2.999,575 -0.64,577 1,579 1,582 64.816,583 1.852,584 3.528,585 4.093,586 4.207,587 4.207,588 4.207,589 2.484,590 4.022,591 4.289,592 3.127,593 594.177,594 7.356,595 6054.15,596 1,597 1,598 1,599 1,600 179.525,601 1.559,602 4.219,603 0.214,605 0.092,606 0.045,607 0.047,608 0.039,609 0.019,610 0.015,611 0.016,612 0.018,613 0.505,614 0.33,615 1,616 1.38,617 87.746,618 0.038,619 -0.241,620 0.045,621 -0.061,622 -0.059,623 -0.057,624 0.269,625 0.202,626 0.128,627 0.143,628 0.123,629 0.213,630 0.081,631 -0.355,632 -0.053,633 -0.221,634 0.127,635 -0.103,636 -0.281,637 0.083,638 -0.013,639 0.162,640 -0.228,641 0.147,642 -0.389,643 0.243,644 -0.079,645 0.192,646 -0.191,647 0.025,648 -0.247,649 -0.026,650 -0.435,651 -0.372,652 -0.087,653 -0.366,654 -0.232,655 -0.079,656 -0.259,657 -0.23,658 -0.228,659 -0.365,660 0.087,661 -0.217,662 0.111,663 -0.117,664 -0.064,665 -0.227,666 1.881,667 5.091,668 0.55,669 15.3,670 1.012,671 1.13,672 3.742,673 14.005,674 0.701,675 3.091,676 3.401,677 3.638,678 3.85,679 4.043,680 4.127,681 4.111,682 4.06,683 4.078,684 3.85,685 4.911,686 0.656,687 310.84,688 3.091,689 4.615,690 5.451,691 6.323,692 7.189,693 8.07,694 8.948,695 9.833,696 10.715,697 11.603,698 11.4,705 1,706 1,708 2,715 4,716 2,720 4,721 1,722 11,740 1,741 35,743 12,744 1,745 21,747 36,748 13,749 8,750 2,751 4,752 1,756 2,757 2,758 1,761 1,763 1,772 9,773 4,777 1,782 1,786 1,789 1,790 1,793 15,794 4,796 7,797 2,802 4,808 1,809 1,828 1,829 1,859 2,860 1,862 1,864 3,865 1,868 20,876 1,879 1,881 1,890 1,892 1,893 2.9,896 1,901 11.333,902 7.36,903 4.528,904 2.06,907 2.085,908 1.333,909 0.941,910 4.943,911 8.343,912 3.35,913 3.927,914 4.501,915 5.043,916 5.495,917 5.812,918 6.085,919 6.373,920 6.704,921 6.702,922 1,923 29,924 7.348,926 2.979,927 0.026,929 7.839,931 13.818,933 10.611,936 2.339,937 46.778,941 176.567,942 110.625,943 38.349,944 39.149,945 25.145,947 32.22,948 78.406,949 240.86,950 38.349,951 25.618,952 4.024,953 37.905,954 58.593,955 11.484,956 4.276,957 208.786,958 39.149,959 176.567,960 116.755,961 25.145,962 71.368,964 143.581,965 60.458,968 15.319,969 65.66,970 72.597,971 32.22,972 176.567,973 63.494,974 149.774,977 176.567,978 47.102,979 68.424,981 97.742,982 176.567,983 63.494,984 149.774,986 0.577,987 0.334,988 0.171,989 0.101,990 13,991 7,992 0.083,993 3,995 1,996 3.111,997 144.455,999 11,1000 80.439,1001 1,1005 15.199,1006 6.504,1007 3.482,1009 61.718,1010 7.223,1011 8.728,1015 2.599,1016 1.331,1018 389.835,1019 27.5,1024 12.091,1028 -0.214,1031 35.436,1032 39.558,1034 0.361,1035 0.688,1036 0.798,1037 0.82,1038 0.82,1039 0.82,1040 4.572,1041 0.9,1042 5.451,1043 2.275,1044 4.078,1045 4.61,1046 3.158,1047 6.263,1048 3.908,1049 5.784,1050 0.499,1051 7.022,1052 1.589,1053 3.761,1054 4.46,1055 1.305,1056 7.195,1057 3.488,1058 7.092,1059 -0.189,1060 8.694,1061 1.198,1062 5.673,1063 6.789,1064 5.094,1065 10.278,1066 5.368,1067 8.44,1068 -0.435,1069 10.422,1070 -0.406,1071 6.155,1072 7.454,1073 2.419,1074 12.022,1075 5.765,1076 9.819,1077 -1,1078 12.186,1079 -0.757,1080 7.572,1081 9.266,1082 7.204,1083 14.633,1084 7.148,1085 11.221,1086 -1,1087 13.974,1088 -2,1089 8.401,1090 10.301,1091 3.517,1092 16.712,1093 7.899,1094 12.64,1095 -1.095,1096 15.78,1097 -2.828,1098 9.633,1099 11.898,1100 9.354,1101 19.157,1102 9.089,1103 3.149,1104 -1.196,1105 17.6,1106 -2.95,1107 10.622,1108 13.117,1109 4.595,1110 21.383,1111 10.001,1112 2.742,1113 10.577,1114 19.43,1115 -3,1116 11.784,1117 14.618,1118 11.513,1119 23.767,1120 11.111,1121 2.378,1122 8.783,1123 21.269,1124 4.184,1125 12.848,1126 15.932,1127 5.656,1128 26.06,1129 12.098,1130 2.16,1131 6.724,1132 23.115,1133 3.633,1134 13.986,1135 17.388,1136 13.675,1137 28.421,1138 13.177,1139 1.508,1140 5.997,1141 24.966,1142 3.046,1143 15.086,1144 18.753,1145 6.706,1146 30.745,1147 14.201,1148 1.286,1149 3.947,1150 26.823,1151 2.671,1152 16.218,1153 20.19,1154 15.839,1155 33.099,1156 15.267,1157 1,1158 3.597,1159 28.683,1160 1.865,1161 17.337,1162 21.582,1163 7.75,1164 35.438,1165 16.31,1166 3388,1167 6406,1168 13.235,1169 24.551,1170 31.92,1171 35.313,1172 33.272,1173 31.534,1174 31.244,1175 40.526,1176 10.31,1177 89.37,1178 28.465,1179 5.286,1180 6.442,1181 6.396,1182 5.155,1183 5.149,1184 7.184,1185 5.9,1186 17.591,1187 4.929,1188 12.172,1189 1.52,1190 1.682,1191 1.584,1192 1.502,1193 1.488,1194 1.93,1195 0.491,1196 4.256,1197 1.355,1198 4.004,1199 4.048,1200 4.101,1201 3.895,1202 7.429,1203 3.896,1204 3.782,1205 3.821,1206 3.946,1207 3.631,1208 5.041,1209 3.627,1210 3.52,1211 3.597,1212 3.572,1213 3.339,1214 4.87,1215 3.312,1216 3.409,1217 3.495,1218 3.429,1219 3.209,1220 4.256,1221 3.209,1222 2.949,1223 3.009,1224 3.169,1225 2.82,1226 4.194,1227 2.806,1228 2.874,1229 2.972,1230 2.752,1231 2.735,1232 4.031,1233 2.715,1234 2.854,1235 2.925,1236 2.687,1237 2.618,1238 3.674,1239 2.57,1240 2.728,1241 2.747,1242 2.677,1243 2.514,1244 3.589,1245 2.514,1246 0.214,1247 0.212,1248 0.316,1249 0.194,1250 0.15,1251 4.499,1252 0.199,1253 4.442,1254 0.14,1255 6.632,1256 0.504,1257 4.077,1258 0.139,1259 3.149,1260 4.184,1261 2.95,1262 10.577,1263 2.929,1264 1.893,1265 1.872,1266 1.975,1267 1.967,1268 1.078,1269 1.976,1270 1.603,1271 1.547,1272 1.8,1273 1.889,1274 1.002,1275 1.86,1276 1.49,1277 1.419,1278 1.772,1279 1.676,1280 0.849,1281 1.735,1282 1.196,1283 1.13,1284 1.417,1285 1.512,1286 0.469,1287 1.482,1288 1.17,1289 1.111,1290 1.293,1291 1.354,1292 0.39,1293 1.325,1294 0.934,1295 0.821,1296 1.191,1297 1.239,1298 0.26,1299 1.308,1300 0.886,1301 0.804,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.633,1307 0.602,1308 0.951,1309 0.858,1310 0.105,1311 0.902,1312 3.761,1314 5.069,1315 2.398,1316 6.564,1317 4.727,1318 8.143,1319 6.843,1320 9.768,1322 5.379,1323 5.866,1328 0.819,1331 1.482,1333 1.472,1340 22.976,1341 64.816,1342 123.471,1343 143.26,1344 147.26,1345 147.26,1346 147.26,1347 33.678,1348 6.258,1349 51.02,1350 76.32,1351 11,1352 12.134,1353 3.7,1354 2.907,1355 36.197,1356 59,1357 60,1358 0.32,1359 153.757,1360 257.61,1361 366.927,1362 3214,1363 2.9,1364 14.698,1365 0.735,1366 0.654,1367 15.552,1368 13.072,1369 9.524,1370 0.454,1371 0.355,1372 6.115,1373 8.32,1374 5.736,1375 4.834,1376 10.267,1377 7.464,1378 8.567,1379 0.295,1380 0.204,1381 9.632,1382 5.914,1383 6.899,1384 0.186,1385 0.097,1386 7.753,1387 3.58,1388 5.185,1389 0.113,1390 0.051,1391 5.966,1392 2.332,1393 4.111,1394 0.073,1395 0.029,1396 4.919,1397 1.644,1398 0.482,1399 67.536,1400 0.275,1401 19.669,1402 0.932,1403 100,1404 331.38,1405 150.009,1406 370.372,1407 491.74,1408 344,1409 116,1410 326.356,1411 155.639,1412 351.658,1413 515.23,1414 327,1415 7.252}
{0 CHEMBL336538,1 1.778,2 8.6,3 2.469,4 6.095,5 78.095,6 8.122,7 0.524,8 3.685,9 3.802,10 3.38,11 3.184,12 4.847,13 3.152,14 4.183,15 4.377,16 3.696,17 3.48,18 5.299,19 3.449,20 4.195,21 4.333,22 3.772,23 3.568,24 5.468,25 3.532,26 4.411,27 4.628,28 3.721,29 3.537,30 5.629,31 3.503,32 4.259,33 4.48,34 3.594,35 3.557,36 5.306,37 3.444,38 4.199,39 4.391,40 3.408,41 3.489,42 5.301,43 3.334,44 4.01,45 4.174,46 3.193,47 3.32,48 5.146,49 3.198,50 4.227,51 4.527,52 2.931,53 3.21,54 5.093,55 3.033,56 0.064,57 0.564,58 7.239,59 3.266,60 5.094,61 3.966,62 0.406,63 0.836,64 18.3,65 4.851,66 19.395,67 6.202,68 0.198,69 0.868,70 13.426,71 5.165,72 20.009,73 6.466,74 0.537,75 0.951,76 20.846,77 4.944,78 53.375,79 6.563,80 0.245,81 0.89,82 16.704,83 5.461,84 22.397,85 7.092,86 0.37,87 0.804,88 22.859,89 6.569,90 30.692,91 7.179,92 0.168,93 0.652,94 12.634,95 5.043,96 17.273,97 6.176,98 0.3,99 0.656,100 18.795,101 5.577,102 32.626,103 7.986,104 36,105 29,106 0.327,107 0.638,108 0.751,109 0.771,110 0.771,111 0.771,112 3.058,113 1.023,114 -3.94,115 -3.89,116 -3.69,121 36.1,126 4,144 4,145 1,146 1,151 1,161 1,164 1,168 1,176 4,179 5,180 6,187 4,191 2,192 8,200 2,205 2,206 9,214 1,219 4,227 2,231 2,232 4,239 2,243 1,244 4,256 1,268 2,281 482,282 13.309,283 13.309,284 13.309,285 13.309,286 13.309,287 11.987,288 12.666,289 7.656,290 14.023,291 10.178,292 10.178,293 10.178,294 10.178,295 10.178,296 7.949,297 12.102,298 3.421,299 11.064,300 3.392,301 1.695,302 1.084,303 0.973,304 0.973,305 0.973,306 3.709,310 1,311 1,312 1,313 347,314 3.24,317 58.833,318 68.256,325 1.4,326 18.603,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 44,338 172,339 4.498,340 4.378,341 6.63,342 4.076,343 3.147,344 4.183,345 2.95,346 10.56,347 2.932,348 4.095,349 3.698,350 6.093,351 3.72,352 2.752,353 3.647,354 1.678,355 8.79,356 2.657,357 3.742,358 2.939,359 5.476,360 3.356,361 2.425,362 3.078,363 0.86,364 6.867,365 2.25,366 3.464,367 2.74,368 5.277,369 3.096,370 2.193,371 2.684,372 0.527,373 6.48,374 1.967,375 2.763,376 2.451,377 4.333,378 2.295,379 1.422,380 1.86,382 3.836,383 1.223,384 2.601,385 1.997,386 4.277,387 2.249,388 1.319,389 1.62,391 3.633,392 1.219,393 2.5,394 1.705,395 3.414,396 2,397 1,398 1.5,400 2.275,401 1,402 2.067,403 1.334,404 3.147,405 1.539,406 0.543,407 0.732,409 1.209,410 0.521,411 1.653,412 1,413 2.815,414 1.347,415 0.455,416 0.547,418 0.75,419 0.406,420 1.481,421 0.967,422 2.639,423 1.09,424 0.304,425 0.348,427 0.44,428 0.236,429 0.812,430 0.258,431 2.343,432 0.429,433 -0.512,434 -0.641,436 -1.006,437 -0.475,438 0.5,439 -0.204,440 2,442 -1,443 -1,445 -2,446 -0.83,447 0.355,448 -0.477,449 1.87,450 -0.088,451 -1,452 -1.204,454 -2.421,455 -0.9,456 0.096,457 -0.6,458 1.539,459 -0.1,460 -1,461 -1.5,463 -3,464 -1,466 -1,467 1.333,468 -0.323,469 -1.25,470 -1.516,472 -3.53,473 -1.155,474 9.6,475 0.48,476 0.524,477 0.026,478 25.75,479 1.288,480 12.5,481 0.625,482 13.25,483 0.663,484 14.593,485 0.73,486 22.2,487 0.617,488 18.065,489 0.903,490 5.173,491 0.259,492 4.389,493 0.219,494 0.243,496 0.344,501 0.754,502 1.502,503 0.724,504 1.116,505 0.623,506 1.036,507 0.947,508 0.864,509 0.975,510 0.881,511 0.646,512 0.651,513 0.955,514 1.491,515 0.781,516 1.162,517 0.904,518 1.105,519 1.595,520 0.911,521 0.907,522 0.682,523 1.919,524 0.764,525 0.928,526 1.02,527 0.962,528 0.88,529 0.781,530 0.981,531 1.143,532 1.048,533 1.967,534 1.572,535 1.285,536 1.236,537 0.882,538 1.387,539 1.244,540 1.484,541 1.201,542 1.524,543 0.743,544 0.763,545 0.689,546 0.798,547 0.917,548 0.933,549 4.5,550 0.033,551 2.667,552 1.319,553 1.322,554 0.896,555 0.31,556 0.268,557 0.191,558 0.111,559 3294,560 10395,561 1.938,562 44.4,564 16,572 1.62,573 1.765,574 3.095,575 -0.64,576 1,577 1,579 1,582 64.012,583 1.778,584 3.475,585 4.086,586 4.197,587 4.197,588 4.197,589 2.546,590 3.784,591 4.288,592 3.208,593 609.496,594 7.339,595 6172.44,596 1,597 1,599 1,600 186.117,601 1.559,602 4.219,603 0.214,604 0.007,605 0.092,606 0.044,607 0.049,608 0.039,609 0.016,610 0.017,611 0.017,612 0.016,613 0.511,614 0.67,615 1,616 1.343,617 88.179,618 0.024,619 -0.304,620 0.084,621 -0.117,622 -0.066,623 -0.084,624 0.138,625 0.247,626 0.108,627 0.156,628 0.084,629 0.283,630 0.044,631 -0.383,632 0.052,633 -0.2,634 0.131,635 -0.168,636 -0.261,637 0.115,638 -0.001,639 0.146,640 -0.229,641 0.091,642 -0.179,643 0.066,644 -0.018,645 0.082,646 -0.091,647 -0.03,648 -0.144,649 0.084,650 -0.487,651 -0.209,652 -0.094,653 -0.215,654 -0.036,655 -0.359,656 -0.356,657 -0.456,658 -0.114,659 -0.528,660 0.031,661 0.029,662 0.139,663 0.031,664 -0.064,665 0.076,666 1.887,667 5.022,668 0.55,669 15.22,670 1.012,671 1.134,672 2.707,673 7.327,674 0.671,675 3.091,676 3.401,677 3.664,678 3.85,679 4.025,680 4.111,681 4.094,682 4.043,683 4.111,684 3.97,685 5.076,686 0.635,687 292.4,688 3.091,689 4.615,690 5.46,691 6.33,692 7.2,693 8.078,694 8.956,695 9.839,696 10.721,697 11.606,698 11.1,705 1,706 1,708 2,715 4,716 2,720 4,721 1,722 11,739 1,741 36,743 12,744 1,745 21,747 37,748 13,749 8,750 2,751 4,752 1,756 2,757 2,761 1,772 9,773 4,777 1,782 1,786 1,789 1,790 1,793 16,794 5,796 7,797 1,802 4,808 1,809 2,828 1,829 1,859 2,860 1,862 1,864 4,868 20,878 1,879 1,881 1,890 1,893 5.6,896 1,898 1,901 11.333,902 7.883,903 4.611,904 1.816,907 2.107,908 1.336,909 0.929,910 4.678,911 8.386,912 3.35,913 3.927,914 4.523,915 5.053,916 5.498,917 5.822,918 6.113,919 6.381,920 6.741,921 6.822,922 0.833,923 30,924 7.338,926 2.94,927 0.026,929 7.833,931 13.75,933 10.363,936 2.333,937 46.667,941 188.338,942 120.717,943 38.349,945 36.145,947 32.22,948 88.497,949 224.482,950 38.349,951 34.866,952 3.124,953 37.905,954 58.593,955 24.226,956 4.276,957 220.557,959 188.338,960 126.846,961 36.145,962 32.22,964 190.666,965 36.145,968 5.594,969 85.476,970 33.449,971 32.22,972 188.338,973 74.494,974 120.717,977 188.338,978 47.945,979 77.672,981 69.593,982 188.338,983 74.494,984 120.717,986 0.577,987 0.351,988 0.174,989 0.095,990 13,991 7,992 0.081,993 3,995 1,996 3.116,997 144.112,999 11,1000 80.439,1001 1,1005 14.881,1006 6.287,1007 3.159,1009 72.718,1010 7.399,1011 8.665,1015 2.691,1016 1.31,1018 383.548,1019 27.5,1024 12.022,1028 -0.221,1031 36.44,1032 40.823,1034 0.344,1035 0.672,1036 0.79,1037 0.812,1038 0.812,1039 0.812,1040 4.572,1041 0.543,1042 5.46,1043 2.275,1044 4.078,1045 4.61,1046 3.219,1047 6.279,1048 3.937,1049 5.784,1050 0.455,1051 7.038,1052 1.209,1053 3.761,1054 4.46,1055 1.305,1056 7.235,1057 3.559,1058 7.096,1059 0.304,1060 8.715,1061 0.75,1062 5.687,1063 6.798,1064 5.101,1065 10.298,1066 5.426,1067 8.447,1068 -0.512,1069 10.446,1070 0.44,1071 6.176,1072 7.467,1073 2.419,1074 12.047,1075 5.845,1076 9.83,1077 -1,1078 12.212,1079 -1.006,1080 7.59,1081 9.278,1082 7.205,1083 14.644,1084 7.213,1085 11.234,1086 -1,1087 14,1088 -2,1089 8.423,1090 10.314,1091 3.517,1092 16.721,1093 7.971,1094 12.655,1095 -1,1096 15.806,1097 -2.421,1098 9.65,1099 11.91,1100 9.354,1101 19.158,1102 9.15,1103 3.147,1104 -1.25,1105 17.624,1106 -3,1107 10.64,1108 13.129,1109 4.595,1110 21.381,1111 10.062,1112 2.752,1113 10.56,1114 19.452,1115 -3.53,1116 11.798,1117 14.628,1118 11.513,1119 23.759,1120 11.166,1121 2.425,1122 8.79,1123 21.288,1124 4.183,1125 12.861,1126 15.943,1127 5.656,1128 26.049,1129 12.151,1130 2.193,1131 6.867,1132 23.131,1133 3.647,1134 13.995,1135 17.397,1136 13.675,1137 28.407,1138 13.226,1139 1.422,1140 6.48,1141 24.98,1142 3.078,1143 15.094,1144 18.762,1145 6.706,1146 30.729,1147 14.248,1148 1.319,1149 3.836,1150 26.834,1151 2.684,1152 16.224,1153 20.197,1154 15.839,1155 33.08,1156 15.311,1157 1,1158 3.633,1159 28.692,1160 1.86,1161 17.34,1162 21.589,1163 7.75,1164 35.417,1165 16.352,1166 3459,1167 6261,1168 13.235,1169 24.148,1170 31.539,1171 35.348,1172 33.212,1173 31.062,1174 31.118,1175 40.396,1176 12.03,1177 89.68,1178 28.822,1179 5.27,1180 6.378,1181 6.181,1182 5.111,1183 5.147,1184 7.183,1185 5.9,1186 17.563,1187 4.932,1188 12.222,1189 1.502,1190 1.683,1191 1.582,1192 1.479,1193 1.482,1194 1.924,1195 0.573,1196 4.27,1197 1.372,1198 4.005,1199 4.049,1200 4.079,1201 3.883,1202 7.429,1203 3.891,1204 3.787,1205 3.827,1206 3.805,1207 3.605,1208 5.028,1209 3.617,1210 3.51,1211 3.591,1212 3.529,1213 3.281,1214 4.804,1215 3.28,1216 3.248,1217 3.312,1218 3.309,1219 3.087,1220 4.319,1221 3.03,1222 3.144,1223 3.233,1224 3.025,1225 2.915,1226 4.2,1227 2.899,1228 2.891,1229 3.009,1230 2.76,1231 2.735,1232 3.884,1233 2.715,1234 2.874,1235 2.927,1236 2.687,1237 2.658,1238 3.674,1239 2.668,1240 2.854,1241 2.925,1242 2.499,1243 2.618,1244 3.559,1245 2.57,1246 0.214,1247 0.208,1248 0.316,1249 0.194,1250 0.15,1251 4.498,1252 0.199,1253 4.378,1254 0.14,1255 6.63,1256 0.503,1257 4.076,1258 0.14,1259 3.147,1260 4.183,1261 2.95,1262 10.56,1263 2.932,1264 1.893,1265 1.872,1266 1.991,1267 1.989,1268 1.081,1269 1.989,1270 1.591,1271 1.529,1272 1.798,1273 1.889,1274 0.855,1275 1.857,1276 1.354,1277 1.301,1278 1.574,1279 1.562,1280 0.707,1281 1.589,1282 1.252,1283 1.194,1284 1.539,1285 1.546,1286 0.578,1287 1.549,1288 1.096,1289 1.007,1290 1.417,1291 1.391,1292 0.469,1293 1.406,1294 1.021,1295 0.935,1296 1.274,1297 1.271,1298 0.299,1299 1.308,1300 0.934,1301 0.821,1302 1.181,1303 1.239,1304 0.244,1305 1.262,1306 0.886,1307 0.804,1308 1.178,1309 1.062,1310 0.218,1311 1.107,1312 3.761,1314 5.069,1315 2.398,1316 6.572,1317 4.727,1318 8.157,1319 6.843,1320 9.784,1322 6.84,1330 5.114,1331 1.381,1333 1.464,1340 22.863,1341 64.012,1342 125.098,1343 147.098,1344 151.098,1345 151.098,1346 151.098,1347 31.456,1348 6.279,1349 60.25,1350 85.55,1351 11,1352 12.139,1353 3.7,1354 2.907,1355 36.356,1356 60,1357 68,1358 0.31,1359 149.42,1360 251.19,1361 356.346,1362 3337,1364 14.698,1365 0.735,1366 0.632,1367 15.052,1368 12.639,1369 9.562,1370 0.455,1371 0.341,1372 5.9,1373 8.551,1374 5.482,1375 4.68,1376 10.12,1377 7.161,1378 8.356,1379 0.288,1380 0.173,1381 8.822,1382 5.013,1383 7.173,1384 0.189,1385 0.087,1386 7.67,1387 3.301,1388 5.262,1389 0.114,1390 0.045,1391 5.76,1392 2.076,1393 4.043,1394 0.074,1395 0.025,1396 4.548,1397 1.391,1398 0.473,1399 66.74,1400 0.275,1401 19.76,1402 0.886,1403 100,1404 348.912,1405 134.028,1406 350.972,1407 473.26,1408 328,1409 117,1410 333.696,1411 147.868,1412 350.187,1413 508.25,1414 321,1415 6.097}
{0 CHEMBL336625,1 1.506,2 10.897,3 6.789,4 46.093,5 119.526,6 7.169,7 0.548,8 4.102,9 4.232,10 3.682,11 3.684,12 5.135,13 3.614,14 4.636,15 4.832,16 4.019,17 4.04,18 5.607,19 3.939,20 4.839,21 5.067,22 4.086,23 4.145,24 5.811,25 4.016,26 4.899,27 5.142,28 4.084,29 4.085,30 5.93,31 3.974,32 4.844,33 5.091,34 4.071,35 4.081,36 5.82,37 3.961,38 4.771,39 4.978,40 4.083,41 4.089,42 5.829,43 3.966,44 4.748,45 4.945,46 3.997,47 4.087,48 5.801,49 3.973,50 4.797,51 5.007,52 3.89,53 4.126,54 5.749,55 3.995,56 0.064,57 0.839,58 13.004,59 5.565,60 8.62,61 7.455,62 0.333,63 1.359,64 26.207,65 9.156,66 21.631,67 12.609,68 0.254,69 1.566,70 32.585,71 11.614,72 34.534,73 15.683,74 0.424,75 1.63,76 36.093,77 10.749,78 53.365,79 14.726,80 0.319,81 1.572,82 34.257,83 10.467,84 40.072,85 13.968,86 0.329,87 1.525,88 35.667,89 10.623,90 43.516,91 12.908,92 0.35,93 1.488,94 33.46,95 10.023,96 43.827,97 12.441,98 0.274,99 1.489,100 29.553,101 10.531,102 34.752,103 14.229,104 23,105 41,106 0.247,107 0.537,108 0.722,109 0.821,110 0.841,111 0.841,112 3.408,113 1.073,114 -6.84,115 -6.65,116 -6.16,121 40.4,122 2,123 4,126 1,127 1,144 9,145 2,146 1,151 1,161 1,164 1,168 1,176 15,179 5,180 6,187 16,191 2,192 8,200 10,205 2,206 15,214 4,219 15,227 3,232 18,239 6,244 13,251 8,256 8,264 15,269 5,277 19,281 1624,282 19.75,283 19.75,284 19.75,285 19.75,286 19.75,287 17.649,288 14.523,289 12.151,290 20.205,291 15.266,292 15.266,293 15.266,294 15.266,295 15.266,296 12.061,297 15.295,298 5.78,299 15.999,300 4.327,301 2.557,302 1.431,303 0.825,304 0.706,305 0.706,306 4.089,312 1,313 660,314 3.873,317 90.382,318 212.765,325 1.639,326 19.497,329 0.75,330 0.83,331 0.83,332 0.9,333 0.5,334 0.83,335 1,336 0.81,337 61,338 316,339 4.515,340 4.447,341 6.712,342 4.114,343 3.183,344 4.189,345 2.95,346 10.804,347 2.969,348 4.166,349 3.753,350 6.221,351 3.818,352 2.857,353 3.678,354 1.678,355 9.223,356 2.752,357 3.963,358 2.973,359 5.919,360 3.543,361 2.588,362 3.515,363 0.527,364 8.198,365 2.466,366 3.618,367 2.746,368 5.115,369 3.226,370 2.24,371 2.991,373 6.09,374 2.207,375 3.38,376 2.647,377 5.012,378 2.967,379 2.032,380 2.626,382 5.702,383 1.88,384 2.93,385 2.422,386 4.301,387 2.784,388 1.799,389 2.064,391 3.976,392 1.77,393 2.843,394 1.766,395 4.219,396 2.478,397 1.529,398 1.912,400 3.565,401 1.44,402 2.706,403 1.717,404 3.778,405 2.325,406 1.376,407 1.741,409 3.418,410 1.283,411 2.5,412 1.643,413 3.603,414 2.108,415 1.149,416 1.5,418 2.594,419 1.093,420 2.5,421 1.237,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.404,430 1.03,431 3.257,432 2,433 1,434 1.355,436 2.228,437 1,438 2.231,439 1,440 3.247,441 1.924,442 0.968,443 1.204,445 2.136,446 0.919,447 1.855,448 1,449 3.089,450 1.412,451 0.496,452 0.531,454 0.91,455 0.444,456 1.568,457 0.893,458 2.658,459 1.39,460 0.369,461 0.502,463 0.842,464 0.37,465 1.121,466 0.29,467 2.524,468 0.803,469 -0.17,470 -0.195,472 -0.337,473 -0.162,474 14.267,475 0.492,476 0.575,477 0.02,478 36.25,479 1.25,480 18.5,481 0.638,482 17.75,483 0.612,484 26.865,485 0.926,486 31.333,487 0.55,488 26.153,489 0.902,490 6.6,491 0.228,492 7.496,493 0.258,494 0.129,496 0.266,501 0.653,502 1.297,503 0.809,504 1.053,505 0.595,506 1.03,507 0.52,508 1.115,509 0.95,510 1.08,511 0.534,512 0.981,513 0.738,514 1.199,515 0.915,516 1.081,517 0.71,518 0.976,519 1.44,520 1.134,521 0.992,522 0.985,523 1.436,524 0.901,525 1.579,526 1.006,527 1.041,528 0.855,529 1.318,530 0.793,531 1.977,532 1.17,533 1.609,534 1.217,535 1.77,536 0.962,537 2.128,538 1.071,539 1.659,540 1.188,541 1.972,542 1.015,543 1.494,544 1.028,545 1.19,546 1.052,547 1.452,548 1.128,549 4.5,550 0.124,551 3.111,552 1.757,553 1.553,554 1.126,555 0.599,556 0.5,557 0.323,558 0.192,559 10182,560 22450,561 2.033,562 49.1,563 12,564 14,569 2,572 1.726,573 1.912,574 3.429,575 -0.785,582 85.827,583 1.506,584 3.276,585 4.402,586 5.008,587 5.126,588 5.126,589 2.902,590 4.418,591 4.819,592 3.606,593 1464.08,594 8.438,595 20309.9,600 332.475,601 1.358,602 4.792,603 0.145,604 0.005,605 0.076,606 0.042,607 0.039,608 0.028,609 0.015,610 0.013,611 0.009,612 0.006,613 0.377,614 0.17,615 0.88,616 1.567,617 147.465,618 0.116,619 -0.125,620 0.08,621 -0.028,622 -0.008,623 -0.018,624 0.415,625 -0.002,626 0.092,627 -0.038,628 0.14,629 0.009,630 0.225,631 -0.169,632 0.137,633 -0.043,634 0.195,635 0.019,636 0.078,637 -0.082,638 0.095,639 -0.014,640 0.072,641 0.03,642 -0.133,643 0.075,644 0.115,645 0.156,646 -0.016,647 0.144,648 -0.273,649 0.002,650 -0.133,651 -0.006,652 -0.085,654 -0.409,655 0.11,656 -0.294,657 -0.036,658 -0.235,659 -0.065,660 -0.288,661 0.037,662 -0.236,663 -0.081,664 -0.212,665 -0.164,666 1.877,667 6.173,668 0.586,669 32.345,670 0.99,671 1.125,672 5.612,673 31.496,674 0.671,675 3.466,676 3.738,677 3.989,678 4.205,679 4.407,680 4.489,681 4.585,682 4.691,683 4.796,684 4.787,685 6.749,686 0.619,687 408.62,688 3.466,689 4.977,690 5.808,691 6.663,692 7.521,693 8.391,694 9.263,695 10.142,696 11.022,697 11.907,698 7,705 1,706 1,708 2,715 9,716 2,720 5,721 1,722 17,741 57,743 18,744 2,745 31,747 59,748 23,749 14,750 3,751 9,752 1,756 3,757 3,761 1,763 2,770 4,772 15,773 8,777 1,782 1,786 1,793 28,794 4,796 6,797 1,802 4,808 1,809 1,828 1,829 2,859 3,860 1,862 1,864 3,868 29,876 5,879 1,881 1,890 1,893 1.8,896 1,901 15.167,902 11.133,903 6.639,904 3.736,907 2.702,908 1.377,909 0.959,910 7.764,911 9.864,912 3.726,913 4.266,914 4.827,915 5.366,916 5.832,917 6.069,918 6.401,919 6.757,920 7.123,921 7.312,922 1,923 42,924 10.745,926 4.38,927 0.026,929 7.58,931 20.901,933 16.587,936 2.08,937 60.333,941 329.591,942 171.015,943 38.349,945 25.145,947 32.22,948 138.796,949 354.736,950 38.349,951 26.047,952 14.162,953 85.286,954 58.593,955 13.925,956 4.276,957 361.81,959 329.591,960 177.145,961 25.145,962 32.22,964 308.377,965 48.687,968 34.282,969 107.086,970 33.449,971 32.22,972 329.591,973 63.494,974 171.015,977 329.591,978 59.682,979 116.234,981 58.593,982 329.591,983 63.494,984 171.015,986 0.563,987 0.325,988 0.169,989 0.093,990 17,991 8,992 0.136,993 8,995 1,996 4.055,997 243.439,999 17,1000 132.881,1001 1,1005 21.449,1006 10.498,1007 5.635,1009 61.718,1010 17.65,1011 9.258,1015 4.139,1016 1.437,1018 564.1,1019 40.5,1024 13.173,1028 -0.21,1031 56.414,1032 64.105,1034 0.258,1035 0.562,1036 0.755,1037 0.859,1038 0.879,1039 0.879,1040 4.929,1041 1.376,1042 5.765,1043 3.565,1044 4.419,1045 4.952,1046 3.158,1047 6.544,1048 4.328,1049 6.106,1050 1.149,1051 7.305,1052 3.418,1053 3.892,1054 4.605,1055 1.305,1056 7.405,1057 3.731,1058 7.388,1059 1,1060 8.952,1061 2.594,1062 5.969,1063 7.082,1064 5.094,1065 10.533,1066 5.775,1067 8.713,1068 1,1069 10.667,1070 2.275,1071 6.33,1072 7.611,1073 2.419,1074 12.266,1075 6.051,1076 10.074,1077 0.968,1078 12.425,1079 2.228,1080 7.832,1081 9.514,1082 7.204,1083 14.899,1084 7.522,1085 11.462,1086 0.496,1087 14.213,1088 2.136,1089 8.603,1090 10.454,1091 3.517,1092 16.976,1093 8.203,1094 12.869,1095 0.369,1096 16.021,1097 0.91,1098 9.876,1099 12.105,1100 9.354,1101 19.44,1102 9.437,1103 3.183,1104 -0.17,1105 17.846,1106 0.842,1107 10.841,1108 13.258,1109 4.595,1110 21.667,1111 10.314,1112 2.857,1113 10.804,1114 19.682,1115 -0.337,1116 12.023,1117 14.787,1118 11.513,1119 24.068,1120 11.447,1121 2.588,1122 9.223,1123 21.526,1124 4.189,1125 13.079,1126 16.057,1127 5.656,1128 26.365,1129 12.419,1130 2.24,1131 8.198,1132 23.379,1133 3.678,1134 14.228,1135 17.526,1136 13.675,1137 28.743,1138 13.51,1139 2.032,1140 6.09,1141 25.236,1142 3.515,1143 15.327,1144 18.861,1145 6.706,1146 31.076,1147 14.53,1148 1.799,1149 5.702,1150 27.099,1151 2.991,1152 16.466,1153 20.302,1154 15.839,1155 33.448,1156 15.605,1157 1.529,1158 3.976,1159 28.966,1160 2.626,1161 17.587,1162 21.675,1163 7.75,1164 35.799,1165 16.649,1166 10086,1167 15242,1168 20.572,1169 38.262,1170 45.778,1171 48.991,1172 47.023,1173 45.259,1174 45.171,1175 58.614,1176 10.31,1177 123.922,1178 43.184,1179 5.428,1180 6.447,1181 6.664,1182 5.244,1183 5.183,1184 7.189,1185 5.9,1186 18.213,1187 4.969,1188 14.165,1189 1.477,1190 1.58,1191 1.517,1192 1.46,1193 1.457,1194 1.891,1195 0.333,1196 3.997,1197 1.393,1198 4.027,1199 4.072,1200 4.097,1201 3.916,1202 7.429,1203 3.918,1204 3.9,1205 3.934,1206 3.836,1207 3.828,1208 5.019,1209 3.825,1210 3.775,1211 3.822,1212 3.815,1213 3.672,1214 4.755,1215 3.642,1216 3.72,1217 3.787,1218 3.588,1219 3.546,1220 4.657,1221 3.554,1222 3.424,1223 3.498,1224 3.414,1225 3.285,1226 4.196,1227 3.248,1228 3.363,1229 3.439,1230 3.254,1231 3.152,1232 4.038,1233 3.167,1234 3.137,1235 3.221,1236 3.007,1237 2.995,1238 3.924,1239 2.964,1240 2.972,1241 3.069,1242 2.884,1243 2.804,1244 3.823,1245 2.75,1246 0.146,1247 0.143,1248 0.217,1249 0.133,1250 0.103,1251 4.515,1252 0.135,1253 4.447,1254 0.095,1255 6.712,1256 0.349,1257 4.114,1258 0.096,1259 3.183,1260 4.189,1261 2.95,1262 10.804,1263 2.969,1264 1.924,1265 1.897,1266 2.04,1267 2.017,1268 1.355,1269 2.019,1270 1.895,1271 1.863,1272 2.017,1273 1.998,1274 1.143,1275 2.009,1276 1.759,1277 1.699,1278 2.014,1279 1.916,1280 1.085,1281 1.957,1282 1.521,1283 1.471,1284 1.757,1285 1.765,1286 1.04,1287 1.741,1288 1.428,1289 1.358,1290 1.653,1291 1.641,1292 0.707,1293 1.68,1294 1.311,1295 1.253,1296 1.558,1297 1.503,1298 0.652,1299 1.518,1300 1.184,1301 1.103,1302 1.403,1303 1.45,1304 0.635,1305 1.461,1306 0.996,1307 0.902,1308 1.292,1309 1.256,1310 0.38,1311 1.307,1312 4.143,1314 5.425,1315 2.398,1316 6.901,1317 4.727,1318 8.465,1319 6.843,1320 10.08,1322 6.016,1328 5.666,1331 1.599,1333 1.606,1340 35.309,1341 85.827,1342 186.705,1343 250.926,1344 285.455,1345 292.21,1346 292.21,1347 52.479,1348 7.162,1349 51.02,1350 76.32,1351 17,1352 12.441,1353 4.248,1354 3.392,1355 52.082,1356 110,1357 150,1358 0.22,1359 225.172,1360 384.22,1361 541.179,1362 11202,1364 20.64,1365 0.712,1366 0.626,1367 20.993,1368 18.154,1369 14.097,1370 0.455,1371 0.358,1372 10.091,1373 13.268,1374 9.646,1375 8.167,1376 14.551,1377 11.084,1378 11.995,1379 0.293,1380 0.199,1381 12.578,1382 8.144,1383 10.09,1384 0.19,1385 0.108,1386 10.737,1387 5.743,1388 7.809,1389 0.118,1390 0.058,1391 8.529,1392 3.86,1393 6.16,1394 0.076,1395 0.034,1396 6.895,1397 2.714,1398 0.342,1399 91.674,1400 0.22,1401 27.615,1402 0.616,1403 144,1404 381.176,1405 179.156,1406 396.297,1407 549.53,1408 372,1409 166,1410 401.55,1411 198.217,1412 420.423,1413 616.21,1414 394,1415 4.301}
{0 CHEMBL336686,1 1.584,2 14.613,3 3.402,4 11.57,5 116.562,6 7.563,7 0.353,8 4.128,9 4.237,10 3.706,11 3.645,12 5.256,13 3.633,14 4.703,15 4.87,16 4.069,17 4.068,18 5.863,19 4.035,20 4.978,21 5.177,22 4.149,23 4.238,24 6.04,25 4.172,26 5.12,27 5.356,28 4.024,29 4.202,30 6.235,31 4.1,32 5.015,33 5.277,34 3.895,35 4.08,36 5.995,37 3.973,38 4.881,39 5.105,40 3.914,41 4.022,42 6.092,43 3.929,44 4.836,45 5.059,46 3.785,47 3.954,48 6.031,49 3.85,50 4.76,51 4.994,52 3.612,53 3.821,54 5.785,55 3.721,56 0.144,57 0.809,58 11.117,59 5.229,60 11.107,61 6.687,62 0.463,63 1.332,64 22.595,65 8.726,66 55.166,67 11.602,68 0.351,69 1.654,70 30.959,71 12.006,72 46.416,73 16.272,74 0.734,75 1.74,76 39.289,77 13.205,78 123.947,79 18.408,80 0.668,81 1.56,82 36.463,83 11.861,84 92.265,85 16.97,86 0.789,87 1.386,88 30.414,89 10.712,90 110.966,91 14.837,92 0.611,93 1.297,94 29.099,95 10.417,96 127.97,97 14.255,98 0.694,99 1.18,100 28.127,101 8.783,102 88.067,103 11.991,104 30,105 48,106 0.259,107 0.565,108 0.728,109 0.804,110 0.826,111 0.832,112 3.471,113 0.923,114 -4.57,115 -4.49,116 -4.23,121 41.1,123 3,124 1,126 1,127 4,144 7,145 3,146 2,160 2,168 2,176 11,179 3,180 12,187 11,192 18,200 4,205 1,206 17,214 4,218 2,219 5,227 9,231 7,232 4,239 14,243 2,244 1,251 9,255 2,256 8,264 4,269 9,281 1648,282 20.886,283 20.886,284 20.886,285 20.886,286 20.886,287 19,288 27.668,289 12.053,290 21.292,291 16.657,292 16.657,293 16.657,294 16.657,295 16.657,296 13.63,297 30.679,298 5.625,299 17.164,300 4.223,301 2.355,302 1.36,303 0.898,304 0.763,305 0.728,306 4.166,311 1,312 1,313 978,314 3.464,317 75.827,318 317.101,321 144.343,325 2.256,326 42.794,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 68.5,338 453,339 4.615,340 3.958,341 6.972,342 4.307,343 3.317,344 4.242,345 2.612,346 11.73,347 3.278,348 4.16,349 3.773,350 5.964,351 3.718,352 2.753,353 3.721,354 1.349,355 8.332,356 2.662,357 4.052,358 3.256,359 5.647,360 3.666,361 2.699,362 3.64,363 0.916,364 7.847,365 2.605,366 3.678,367 3.038,368 5.616,369 3.542,370 2.566,371 2.831,372 0.86,373 7.191,374 2.512,375 3.498,376 2.816,377 5.479,378 3.245,379 2.294,380 2.721,381 0.8,382 6.944,383 2.166,384 3.44,385 2.522,386 5.396,387 3.081,388 2.095,389 2.638,390 0.172,391 6.565,392 2.093,393 3.405,394 2.448,395 5.213,396 3.023,397 2.01,398 2.553,400 6.382,401 1.988,402 3.069,403 2.194,404 4.88,405 2.869,406 1.917,407 2.104,409 5.625,410 1.815,411 2.857,412 1.855,413 3.827,414 2.254,415 1.258,416 1.923,418 2.973,419 1.251,420 2.502,421 1.724,422 3.707,423 2,424 1,425 1.5,427 2.343,428 1,429 2.5,430 1.271,431 3.502,432 1.984,433 1,434 1.414,436 2.275,437 0.983,438 2.138,439 1.159,440 3.414,441 1.947,442 0.921,443 1,445 2.275,446 0.94,447 2,448 1.077,449 3.414,450 1.871,451 0.866,452 0.991,454 2.085,455 0.864,456 1.744,457 1,458 3.049,459 1.487,460 0.596,461 0.659,463 1.061,464 0.523,465 1.405,466 1,467 2.783,468 1.163,469 0.18,470 0.204,472 0.388,473 0.174,474 14.367,475 0.463,476 0.801,477 0.026,478 38.75,479 1.25,480 18.5,481 0.597,482 20.25,483 0.653,484 26.814,485 0.865,486 34.233,487 0.611,488 30.423,489 0.981,490 7.537,491 0.243,492 7.42,493 0.239,494 0.128,496 0.362,501 0.506,502 1.337,503 0.725,504 1.143,505 0.466,506 1.011,507 0.698,508 1.042,509 0.857,510 0.95,511 0.43,512 0.929,513 0.723,514 1.193,515 0.915,516 1.179,517 0.564,518 1.097,519 0.908,520 1.086,521 1.022,522 1.075,523 0.896,524 1.074,525 0.813,526 0.861,527 0.891,528 0.881,529 0.896,530 0.895,531 0.615,532 0.889,533 0.92,534 1.006,535 0.694,536 1.028,537 0.791,538 1.096,539 1,540 1.137,541 0.887,542 1.125,543 1.211,544 0.848,545 1.161,546 0.872,547 1.156,548 0.985,549 6.5,550 0.182,551 3.778,552 2.549,553 1.578,554 1.101,555 0.845,556 0.405,557 0.187,558 0.237,559 14743,560 43539,561 2.065,562 44.6,563 1,564 18,569 6,572 1.73,573 1.918,574 3.772,575 -0.735,577 1,582 88.709,583 1.584,584 3.453,585 4.447,586 4.91,587 5.044,588 5.08,589 3.235,590 4.567,591 4.923,592 3.974,593 1848.01,594 8.561,595 27753.7,597 1,599 1,600 325.212,601 1.462,602 4.877,603 0.191,604 0.008,605 0.079,606 0.051,607 0.038,608 0.03,609 0.023,610 0.013,611 0.007,612 0.01,613 0.449,614 0.17,615 1,616 0.839,617 164.977,618 0.124,619 -0.114,620 0.069,621 -0.039,622 0.025,623 -0.014,624 0.07,625 0.095,626 0.025,627 0.08,628 0.144,629 0.051,630 -0.02,631 -0.146,632 -0.009,633 -0.148,634 0.066,635 -0.084,636 -0.027,637 -0.134,638 -0.036,639 -0.096,640 0.034,641 -0.073,643 0.081,644 0.11,645 0.081,646 -0.04,647 0.115,648 0.249,649 0.089,650 0.051,651 -0.015,652 0.181,653 -0.026,654 0.091,655 -0.157,656 -0.027,657 -0.13,658 0.109,659 -0.11,660 -0.145,661 0.101,662 -0.142,663 0.079,664 -0.162,665 -0.016,666 2.555,667 5.621,668 0.677,669 36.843,670 1.012,671 1.127,672 3.338,673 11.144,674 0.655,675 3.555,676 3.892,677 4.174,678 4.407,679 4.644,680 4.71,681 4.828,682 4.905,683 4.913,684 4.942,685 8.273,686 0.633,687 423.51,688 3.555,689 5.106,690 5.964,691 6.843,692 7.718,693 8.604,694 9.488,695 10.378,696 11.268,697 12.162,698 5.4,701 1,705 1,709 1,715 7,720 5,722 12,735 1,739 1,741 56,743 16,744 2,745 34,747 59,748 23,749 12,750 5,751 7,752 2,756 4,757 5,767 2,768 1,770 3,772 14,773 9,774 1,777 4,779 1,782 4,786 2,790 1,793 25,794 7,796 8,802 3,805 1,808 0.75,809 5,828 1,829 3,832 1,855 1,859 3,864 1,868 31,876 7,878 1,880 1,881 2,893 8.9,896 2,898 1,899 2,901 16.167,902 10.35,903 6.833,904 3.471,907 2.34,908 1.295,909 0.963,910 6.352,911 10.278,912 3.807,913 4.357,914 4.871,915 5.355,916 5.858,917 6.064,918 6.351,919 6.37,920 6.426,921 6.323,922 0.9,923 50,924 11.569,926 5.075,927 0.026,929 7.984,931 21.828,933 18.3,936 2.484,937 77,940 1,941 294.278,942 120.209,943 11.919,945 112.037,948 120.209,949 406.314,950 11.919,951 16.553,952 19.151,953 66.334,954 59.699,955 31.681,957 294.278,958 50.747,959 294.278,960 132.128,961 112.037,964 223.651,965 131.916,966 50.747,968 22.275,969 104.183,970 5.67,972 294.278,973 123.955,974 120.209,977 294.278,978 42.993,979 89.135,981 112.037,982 294.278,983 123.955,984 120.209,986 0.587,987 0.349,988 0.177,989 0.098,990 23,991 11,992 0.119,993 7,994 1,995 1.095,996 4.31,997 272.057,998 0.095,999 21,1000 143.58,1005 21.478,1006 9.168,1007 4.63,1009 118.285,1010 11.956,1015 2.314,1018 538.442,1019 44,1021 -0.555,1024 47.12,1028 -0.785,1031 56.662,1032 63.109,1034 0.273,1035 0.595,1036 0.766,1037 0.845,1038 0.869,1039 0.875,1040 5.063,1041 1.917,1042 5.958,1043 6.382,1044 4.575,1045 5.043,1046 2.995,1047 6.777,1048 4.525,1049 6.255,1050 1.258,1051 7.529,1052 5.625,1053 4.205,1054 4.902,1055 2.431,1056 7.7,1057 4.132,1058 7.561,1059 1,1060 9.197,1061 2.973,1062 6.184,1063 7.164,1064 4.282,1065 10.793,1066 6.088,1067 8.899,1068 1,1069 10.921,1070 2.343,1071 6.621,1072 7.828,1073 4.528,1074 12.566,1075 6.508,1076 10.27,1077 0.921,1078 12.682,1079 2.275,1080 8.082,1081 9.6,1082 5.978,1083 15.212,1084 7.95,1085 11.664,1086 0.866,1087 14.471,1088 2.275,1089 8.897,1090 10.632,1091 6.562,1092 17.378,1093 8.754,1094 13.077,1095 0.596,1096 16.281,1097 2.085,1098 10.161,1099 12.212,1100 7.801,1101 19.889,1102 10.005,1103 3.317,1104 0.18,1105 18.108,1106 1.061,1107 11.164,1108 13.427,1109 8.55,1110 22.232,1111 11,1112 2.753,1113 11.73,1114 19.952,1115 0.388,1116 12.358,1117 14.923,1118 9.672,1119 24.704,1120 12.184,1121 2.699,1122 8.332,1123 21.809,1124 4.242,1125 13.453,1126 16.233,1127 10.509,1128 27.119,1129 13.273,1130 2.566,1131 7.847,1132 23.679,1133 3.721,1134 14.629,1135 17.691,1136 11.564,1137 29.582,1138 14.44,1139 2.294,1140 7.191,1141 25.559,1142 3.64,1143 15.77,1144 19.053,1145 12.452,1146 32.025,1147 15.574,1148 2.095,1149 6.944,1150 27.449,1151 2.831,1152 16.946,1153 20.494,1154 13.468,1155 34.486,1156 16.742,1157 2.01,1158 6.565,1159 29.347,1160 2.721,1161 18.111,1162 21.886,1163 14.386,1164 36.94,1165 17.9,1166 14035,1167 24408,1168 22.482,1169 36.665,1170 51.3,1171 54.356,1172 53.1,1173 50.932,1174 50.948,1175 64.283,1176 13.42,1177 148.031,1178 49.707,1179 5.615,1180 5.958,1181 6.525,1182 5.342,1183 5.317,1184 7.242,1185 4.612,1186 18.926,1187 5.278,1188 16.986,1189 1.509,1190 1.599,1191 1.562,1192 1.498,1193 1.498,1194 1.891,1195 0.395,1196 4.354,1197 1.462,1198 4.071,1199 4.094,1200 4.041,1201 3.953,1202 7.815,1203 3.967,1204 3.956,1205 3.994,1206 3.882,1207 3.865,1208 7.446,1209 3.864,1210 3.832,1211 3.875,1212 3.732,1213 3.719,1214 7.408,1215 3.711,1216 3.679,1217 3.709,1218 3.653,1219 3.375,1220 6.999,1221 3.422,1222 3.426,1223 3.483,1224 3.307,1225 3.179,1226 4.867,1227 3.206,1228 3.281,1229 3.337,1230 3.158,1231 3.018,1232 4.618,1233 3.038,1234 3.155,1235 3.214,1236 3.016,1237 2.941,1238 4.416,1239 2.92,1240 3.111,1241 3.206,1242 2.947,1243 2.893,1244 4.278,1245 2.91,1246 0.136,1247 0.116,1248 0.205,1249 0.127,1250 0.098,1251 4.615,1252 0.125,1253 3.958,1254 0.077,1255 6.972,1256 0.345,1257 4.307,1258 0.096,1259 3.317,1260 4.242,1261 2.612,1262 11.73,1263 3.278,1264 1.931,1265 1.897,1266 2.097,1267 2.072,1268 1.482,1269 2.081,1270 1.913,1271 1.896,1272 1.996,1273 2.069,1274 1.167,1275 2.028,1276 1.838,1277 1.791,1278 1.983,1279 1.962,1280 1.104,1281 1.975,1282 1.521,1283 1.463,1284 1.736,1285 1.771,1286 1.012,1287 1.755,1288 1.279,1289 1.238,1290 1.582,1291 1.661,1292 0.825,1293 1.56,1294 1.231,1295 1.209,1296 1.513,1297 1.549,1298 0.694,1299 1.545,1300 1.153,1301 1.09,1302 1.425,1303 1.431,1304 0.562,1305 1.429,1306 1.153,1307 1.064,1308 1.288,1309 1.376,1310 0.425,1311 1.429,1312 4.234,1314 5.565,1315 2.398,1316 7.088,1317 4.949,1318 8.692,1319 7.195,1320 10.341,1322 1.658,1328 5.993,1330 5.199,1332 0.45,1333 3.65,1340 35.433,1341 88.709,1342 193.34,1343 249.031,1344 274.947,1345 282.457,1346 284.457,1347 76.106,1348 7.937,1349 97.36,1350 97.36,1351 23,1352 12.689,1353 4.087,1354 3.459,1355 49.918,1356 156,1357 169,1358 0.156,1359 215.838,1360 388.41,1361 518.405,1362 34406,1364 21.957,1365 0.708,1366 0.563,1367 21.957,1368 17.451,1369 14.957,1370 0.44,1371 0.308,1372 10.289,1373 14.228,1374 10.075,1375 8.309,1376 14.957,1377 10.459,1378 13.522,1379 0.282,1380 0.169,1381 13.522,1382 8.105,1383 11.725,1384 0.183,1385 0.097,1386 11.725,1387 6.198,1388 9.296,1389 0.115,1390 0.053,1391 9.296,1392 4.329,1393 7.541,1394 0.073,1395 0.031,1396 7.541,1397 3.19,1398 0.254,1399 95.059,1400 0.211,1401 29.818,1402 0.401,1403 164,1404 537.613,1405 182.313,1406 506.227,1407 669.33,1408 468,1409 194,1410 479.817,1411 212.956,1412 479.193,1413 697.59,1414 447,1415 6.357}
{0 CHEMBL337002,1 1.417,2 13.441,3 5.266,4 27.734,5 133.785,6 7.817,7 0.579,8 4.134,9 4.237,10 3.756,11 3.785,12 5.292,13 3.756,14 4.651,15 4.799,16 4.109,17 4.186,18 5.731,19 4.138,20 4.931,21 5.11,22 4.193,23 4.327,24 6.037,25 4.253,26 5.028,27 5.245,28 4.124,29 4.285,30 6.138,31 4.201,32 4.914,33 5.117,34 4.113,35 4.264,36 5.999,37 4.186,38 4.967,39 5.165,40 4.156,41 4.315,42 6.069,43 4.233,44 4.966,45 5.168,46 4.118,47 4.304,48 6.108,49 4.208,50 4.951,51 5.172,52 4.009,53 4.206,54 6.123,55 4.106,56 0.011,57 0.735,58 9.823,59 4.936,60 9.749,61 6.232,62 0.145,63 1.264,64 18.552,65 8.222,66 14.937,67 10.554,68 0.13,69 1.621,70 26.843,71 11.758,72 38.607,73 15.188,74 0.392,75 1.796,76 33.309,77 12.785,78 74.546,79 16.368,80 0.206,81 1.591,82 28.195,83 11.695,84 49.439,85 15.196,86 0.313,87 1.657,88 29.851,89 12.497,90 57.022,91 16.063,92 0.231,93 1.659,94 29.422,95 12.715,96 63.336,97 16.734,98 0.43,99 1.62,100 31.15,101 12.431,102 87.446,103 16.201,104 11,105 53,106 0.226,107 0.548,108 0.713,109 0.837,110 0.864,111 0.864,112 3.561,113 0.89,114 -4.59,115 -4.52,116 -4.25,121 50.9,123 1,127 3,137 1,138 1,144 13,145 5,153 1,154 1,158 1,160 2,176 19,179 1,180 11,187 20,192 13,200 13,205 1,206 15,214 10,219 9,227 18,231 2,232 6,239 23,243 2,244 6,251 22,255 2,256 8,264 15,269 10,277 11,281 2218,282 23.455,283 23.455,284 23.455,285 23.455,286 23.455,287 20.411,288 22.21,289 13.867,290 23.605,291 18.715,292 18.715,293 18.715,294 18.715,295 18.715,296 13.938,297 26.451,298 6.552,299 18.947,300 4.415,301 2.398,302 1.363,303 0.59,304 0.421,305 0.421,306 4.27,312 1,313 1003,314 3.317,317 74.117,318 413.504,321 140.418,325 2.022,326 31.2,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 71.5,338 457,339 4.703,340 4.057,341 6.887,342 4.246,343 3.273,344 4.652,345 2.035,346 11.527,347 3.187,348 4.229,349 3.705,350 6.241,351 3.898,352 2.902,353 3.809,354 1.277,355 9.229,356 2.897,357 4.138,358 3.656,359 6.073,360 3.767,361 2.766,362 3.526,363 0.995,364 8.768,365 2.77,366 3.919,367 3.049,368 5.535,369 3.549,370 2.555,371 3.444,372 0.98,373 7.488,374 2.535,375 3.89,376 2.978,377 5.464,378 3.4,379 2.404,380 3.257,381 0.359,382 6.977,383 2.391,384 3.448,385 2.499,386 5.253,387 3.06,388 2.1,389 2.752,391 6.362,392 2.019,393 3.34,394 2.479,395 4.981,396 2.964,397 1.974,398 2.624,400 5.847,401 1.936,402 3.246,403 2.176,404 4.902,405 2.807,406 1.83,407 2.336,409 5.297,410 1.781,411 3.005,412 1.902,413 4.218,414 2.451,415 1.442,416 1.941,418 3.801,419 1.451,420 2.873,421 1.809,422 3.965,423 2.41,424 1.414,425 1.919,427 3.036,428 1.407,429 2.825,430 1.75,431 3.594,432 2.258,433 1.256,434 1.825,436 2.966,437 1.255,438 2.704,439 1.519,440 3.59,441 2.077,442 1.071,443 1.52,445 2.717,446 1.074,447 2.516,448 1.202,449 3.414,450 2,451 1,452 1.5,454 2.275,455 1,456 2.5,457 1.074,458 3.414,459 2,460 1,461 1.5,463 2.136,464 1,465 2.5,466 1,467 3.247,468 1.67,469 0.68,470 1.071,472 1.62,473 0.668,474 16.367,475 0.481,476 0.725,477 0.021,478 48.75,479 1.434,480 27.5,481 0.809,482 21.25,483 0.625,484 26,485 0.765,486 33.433,487 0.587,488 39.448,489 1.16,490 9.767,491 0.287,492 6.852,493 0.202,494 0.065,496 0.324,501 0.588,502 1.116,503 0.715,504 0.939,505 0.465,506 0.858,507 0.753,508 1.006,509 0.892,510 0.931,511 0.521,512 0.918,513 0.932,514 1.199,515 0.998,516 1.147,517 0.787,518 1.093,519 1.388,520 0.948,521 1.057,522 0.919,523 1.276,524 0.942,525 1.055,526 0.968,527 0.949,528 0.965,529 0.962,530 0.945,531 1.105,532 0.918,533 0.983,534 0.964,535 1.028,536 0.966,537 0.832,538 1.044,539 0.993,540 1.112,541 0.735,542 1.083,543 1.112,544 0.91,545 1.019,546 0.956,547 1.047,548 0.976,549 6,550 0.18,551 3.556,552 2.514,553 1.779,554 1.181,555 0.845,556 0.551,557 0.448,558 0.285,559 17363,560 45342,561 2.145,562 40.4,564 20,565 1,568 2,572 1.762,573 2.04,574 3.692,575 -0.846,582 80.796,583 1.417,584 3.434,585 4.469,586 5.243,587 5.412,588 5.412,589 3.201,590 4.735,591 5.054,592 3.831,593 2149.15,594 8.881,595 32646.1,600 332.475,601 1.286,602 5.033,603 0.158,604 0.005,605 0.067,606 0.046,607 0.036,608 0.023,609 0.016,610 0.011,611 0.01,612 0.007,613 0.379,614 0.17,615 0.88,616 0.608,617 182.02,618 0.006,619 -0.107,620 0.053,621 -0.018,622 0.013,623 0.013,624 0.007,625 0.036,626 -0.043,627 -0.007,628 -0.008,629 -0.024,630 -0.024,631 -0.219,632 -0.071,633 -0.182,634 0.015,635 -0.142,636 -0.1,637 0.058,638 -0.026,639 0.056,640 -0.086,641 0.03,642 -0.055,643 0.013,644 0.027,645 0.016,646 -0.034,647 0.031,648 0.002,649 0.046,650 -0.002,651 0.022,652 -0.034,653 0.009,654 0.085,655 -0.089,656 -0.025,657 -0.121,658 0.117,659 -0.093,660 0.091,661 0.051,662 0.014,663 0.045,664 0.084,665 0.025,666 1.842,667 6.269,668 0.794,669 37.72,670 0.996,671 1.106,672 3.364,673 11.314,674 0.711,675 3.664,676 3.989,677 4.29,678 4.564,679 4.828,680 4.92,681 5.094,682 5.247,683 5.352,684 5.481,685 7.574,686 0.68,687 445.55,688 3.664,689 5.209,690 6.071,691 6.952,692 7.832,693 8.721,694 9.61,695 10.506,696 11.401,697 12.301,698 5.3,701 1,706 1,707 1,714 2,715 14,720 4,721 1,722 22,724 1,741 57,743 26,744 3,745 38,747 61,748 29,749 20,750 5,751 13,752 4,756 5,757 6,767 1,770 1,771 1,772 24,773 4,777 3,782 2,784 1,786 3,793 23,794 4,796 5,802 3,808 0.8,809 2,824 1,828 1,829 4,832 1,841 1,849 1,850 1,855 1,859 4,868 34,876 4,881 1,885 1,889 1,891 1,893 3.5,896 2,901 16.667,902 10.433,903 7.5,904 3.454,907 4.559,908 1.549,909 1.025,910 6.019,911 12.865,912 4.007,913 4.598,914 5.236,915 5.822,916 6.382,917 6.731,918 7.197,919 7.589,920 7.895,921 8.312,922 1,923 55,924 12.602,926 5.469,927 0.026,929 7.779,931 24.055,933 20.15,936 2.279,937 77.5,941 270.735,942 197.651,943 36.083,945 50.29,948 197.651,949 321.025,950 36.083,952 8.852,953 141.715,954 76.73,955 54.584,956 13.915,957 258.964,959 270.735,960 233.734,961 50.29,964 270.735,965 50.29,968 44.934,969 179.323,970 9.476,972 270.735,973 86.373,974 197.651,977 270.735,978 39.335,979 146.738,980 16.602,981 81.349,982 270.735,983 86.373,984 197.651,986 0.578,987 0.345,988 0.186,989 0.105,990 26,991 11,992 0.066,993 4,994 1,995 1.074,996 4.505,997 327.182,998 0.074,999 27,1000 164.974,1005 21.739,1006 9.413,1007 4.545,1008 1.707,1009 84.474,1010 26.397,1015 3.084,1016 1.623,1018 554.759,1019 54,1024 26.029,1026 1.935,1028 0.737,1031 56.796,1032 63.066,1034 0.243,1035 0.589,1036 0.766,1037 0.899,1038 0.928,1039 0.928,1040 5.244,1041 1.83,1042 6.047,1043 5.847,1044 4.673,1045 5.286,1046 2.804,1047 6.862,1048 4.649,1049 6.46,1050 1.442,1051 7.605,1052 5.297,1053 4.205,1054 5.017,1055 0.325,1056 7.756,1057 4.172,1058 7.768,1059 1.414,1060 9.264,1061 3.801,1062 6.267,1063 7.504,1064 3.782,1065 10.881,1066 6.215,1067 9.112,1068 1.256,1069 10.983,1070 3.036,1071 6.648,1072 8.128,1073 0.504,1074 12.636,1075 6.584,1076 10.49,1077 1.071,1078 12.742,1079 2.966,1080 8.153,1081 10.044,1082 5.041,1083 15.282,1084 8.069,1085 11.892,1086 1,1087 14.53,1088 2.717,1089 8.933,1090 11.111,1091 0.585,1092 17.411,1093 8.832,1094 13.316,1095 1,1096 16.338,1097 2.275,1098 10.214,1099 12.788,1100 6.406,1101 19.904,1102 10.092,1103 3.273,1104 0.68,1105 18.163,1106 2.136,1107 11.189,1108 14.086,1109 0.622,1110 22.201,1111 11.045,1112 2.902,1113 11.527,1114 20.002,1115 1.62,1116 12.382,1117 15.665,1118 7.808,1119 24.646,1120 12.215,1121 2.766,1122 9.229,1123 21.852,1124 4.652,1125 13.452,1126 17.081,1127 0.639,1128 27.019,1129 13.258,1130 2.555,1131 8.768,1132 23.712,1133 3.809,1134 14.616,1135 18.622,1136 9.221,1137 29.454,1138 14.396,1139 2.404,1140 7.488,1141 25.58,1142 3.526,1143 15.732,1144 20.097,1145 0.646,1146 31.862,1147 15.483,1148 2.1,1149 6.977,1150 27.455,1151 3.444,1152 16.89,1153 21.628,1154 10.64,1155 34.296,1156 16.613,1157 1.974,1158 6.362,1159 29.337,1160 3.257,1161 18.031,1162 23.132,1163 0.648,1164 36.721,1165 17.723,1166 16209,1167 26349,1168 25.948,1169 40.54,1170 58.915,1171 61.727,1172 58.368,1173 56.808,1174 56.763,1175 77.596,1176 11.291,1177 162.851,1178 56.148,1179 5.703,1180 6.057,1181 6.689,1182 5.283,1183 5.273,1184 7.652,1185 4.069,1186 19.063,1187 5.187,1188 13.565,1189 1.55,1190 1.624,1191 1.536,1192 1.495,1193 1.494,1194 2.042,1195 0.297,1196 4.286,1197 1.478,1198 4.166,1199 4.194,1200 4.135,1201 4.081,1202 7.43,1203 4.09,1204 3.94,1205 3.98,1206 3.866,1207 3.862,1208 7.425,1209 3.857,1210 3.907,1211 3.93,1212 3.858,1213 3.854,1214 6.82,1215 3.852,1216 3.798,1217 3.833,1218 3.722,1219 3.686,1220 4.916,1221 3.69,1222 3.47,1223 3.512,1224 3.406,1225 3.341,1226 4.754,1227 3.346,1228 3.323,1229 3.364,1230 3.251,1231 3.179,1232 4.652,1233 3.195,1234 3.226,1235 3.281,1236 3.127,1237 3.052,1238 4.36,1239 3.057,1240 3.122,1241 3.185,1242 3.018,1243 2.975,1244 4.186,1245 2.973,1246 0.124,1247 0.107,1248 0.181,1249 0.112,1250 0.086,1251 4.703,1252 0.122,1253 4.057,1254 0.054,1255 6.887,1256 0.303,1257 4.246,1258 0.084,1259 3.273,1260 4.652,1261 2.035,1262 11.527,1263 3.187,1264 1.966,1265 1.944,1266 2.068,1267 2.061,1268 1.3,1269 2.064,1270 1.931,1271 1.903,1272 2.04,1273 2.046,1274 1.167,1275 2.043,1276 1.902,1277 1.878,1278 2.002,1279 1.971,1280 1.103,1281 1.983,1282 1.793,1283 1.76,1284 1.937,1285 1.917,1286 1.076,1287 1.927,1288 1.537,1289 1.493,1290 1.67,1291 1.714,1292 0.847,1293 1.701,1294 1.272,1295 1.234,1296 1.478,1297 1.45,1298 0.702,1299 1.446,1300 1.199,1301 1.137,1302 1.43,1303 1.413,1304 0.589,1305 1.437,1306 1.083,1307 1.03,1308 1.251,1309 1.26,1310 0.369,1311 1.253,1312 4.344,1314 5.666,1315 2.398,1316 7.189,1317 4.844,1318 8.797,1319 7.05,1320 10.45,1328 2.604,1333 2.281,1338 9.03,1339 2.073,1340 38.762,1341 80.796,1342 195.766,1343 254.759,1344 298.865,1345 308.475,1346 308.475,1347 62.46,1348 8.306,1349 66.1,1350 66.1,1351 29,1352 12.824,1353 4.755,1354 4.087,1355 49.902,1356 151,1357 176,1358 0.157,1359 236.446,1360 415.84,1361 568.688,1362 52236,1364 23.493,1365 0.691,1366 0.548,1367 23.493,1368 18.647,1369 16.619,1370 0.437,1371 0.297,1372 11.181,1373 16.255,1374 10.92,1375 9.031,1376 16.619,1377 11.272,1378 14.712,1379 0.278,1380 0.16,1381 14.712,1382 8.505,1383 12.961,1384 0.18,1385 0.086,1386 12.961,1387 6.208,1388 10.69,1389 0.113,1390 0.047,1391 10.69,1392 4.434,1393 8.989,1394 0.072,1395 0.026,1396 8.989,1397 3.165,1398 0.247,1399 102.369,1400 0.196,1401 31.459,1402 0.43,1403 182,1404 492.406,1405 191.841,1406 490.975,1407 670.89,1408 458,1409 216,1410 488.667,1411 227.313,1412 503.875,1413 734.06,1414 474,1415 4.699}
{0 CHEMBL33727,1 1.392,2 10.545,3 3.677,4 13.521,5 88.402,6 6.301,7 0.25,8 3.94,9 4.075,10 3.368,11 3.442,12 4.856,13 3.392,14 4.555,15 4.761,16 3.728,17 3.871,18 5.461,19 3.782,20 4.834,21 5.091,22 3.716,23 4.01,24 5.587,25 3.881,26 4.83,27 5.08,28 3.638,29 3.973,30 5.653,31 3.825,32 4.826,33 5.114,34 3.508,35 3.817,36 5.654,37 3.669,38 4.546,39 4.795,40 3.364,41 3.603,42 5.466,43 3.487,44 4.366,45 4.586,46 3.228,47 3.487,48 5.327,49 3.373,50 4.333,51 4.587,52 3.08,53 3.397,54 5.261,55 3.257,56 0.044,57 0.679,58 11.81,59 4.725,60 5.977,61 6.762,62 0.357,63 1.123,64 22.267,65 7.922,66 30.436,67 11.772,68 0.27,69 1.345,70 29.06,71 10.133,72 23.737,73 15.098,74 0.229,75 1.299,76 28.821,77 10.472,78 31.035,79 15.286,80 0.326,81 1.182,82 29.054,83 9.223,84 37.974,85 13.897,86 0.333,87 0.896,88 22.275,89 7.248,90 33.835,91 10.414,92 0.223,93 0.793,94 18.562,95 6.123,96 26.391,97 8.823,98 0.303,99 0.755,100 17.958,101 5.692,102 30.444,103 8.413,104 19,105 33,106 0.242,107 0.532,108 0.778,109 0.885,110 0.885,111 0.885,112 3.146,113 1.069,114 -3.94,115 -3.9,116 -3.7,121 37.5,122 2,123 4,124 1,127 3,129 1,144 3,145 2,146 1,161 1,176 9,179 1,180 6,183 2,185 1,187 11,192 4,197 1,200 8,206 8,211 3,214 5,219 7,224 2,227 3,231 1,232 4,237 2,239 4,244 2,249 2,251 5,255 1,256 1,259 1,264 6,277 6,281 610,282 15.171,283 15.171,284 15.171,285 15.171,286 15.171,287 14.317,288 21.27,289 9.13,290 15.49,291 11.779,292 11.779,293 11.779,294 11.779,295 11.779,296 10.381,297 25.418,298 4.243,299 12.238,300 4.193,301 2.523,302 1.11,303 0.49,304 0.49,305 0.49,306 3.828,310 1,311 1,312 1,313 494,314 3.464,317 82.367,318 48.351,320 66.945,321 71.634,324 101.016,325 1.636,326 16.234,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 47,338 232,339 4.469,340 3.669,341 6.875,342 4.267,343 3.284,344 4.007,345 2.186,346 11.519,347 3.232,348 3.907,349 3.517,350 6.012,351 3.624,352 2.681,353 3.141,354 0.8,355 8.537,356 2.527,357 3.653,358 2.857,359 5.431,360 3.361,361 2.419,362 2.798,363 0.366,364 7.162,365 2.254,366 3.326,367 2.497,368 5.12,369 2.978,370 2.014,371 2.516,373 5.785,374 1.927,375 3.048,376 2.134,377 4.795,378 2.841,379 1.851,380 2.168,382 5.416,383 1.829,384 2.622,385 1.784,386 4.436,387 2.557,388 1.564,389 1.614,391 3.9,392 1.547,393 2.462,394 1.488,395 3.791,396 2.298,397 1.325,398 1.457,400 2.998,401 1.285,402 2.261,403 1.129,404 3.569,405 2.076,406 1.085,407 1.239,409 2.729,410 1.075,411 1.769,412 1.054,413 3.147,414 1.668,415 0.708,416 0.733,418 1.307,419 0.675,420 1.661,421 0.854,422 2.915,423 1.525,424 0.541,425 0.586,427 1.066,428 0.531,429 1.331,430 0.615,431 2.621,432 1.168,433 0.198,434 0.214,436 0.348,437 0.191,438 0.956,439 0.288,440 2.417,441 0.732,442 -0.209,443 -0.222,445 -0.424,446 -0.195,447 0.758,448 -0.043,449 2.341,450 0.567,451 -0.448,452 -0.52,454 -0.865,455 -0.447,456 0.593,457 -0.458,458 2.098,459 0.171,460 -0.826,461 -1.045,463 -2.169,464 -0.822,465 0.417,466 -0.699,467 2,468 0.101,469 -0.893,470 -1.079,472 -2.47,473 -0.879,474 10.467,475 0.476,476 0.448,477 0.02,478 22,479 1,480 8,481 0.364,482 14,483 0.636,484 21.482,485 0.976,486 25.533,487 0.532,488 13.565,489 0.617,490 3.781,491 0.172,492 6.943,493 0.316,494 0.127,496 0.325,501 0.787,502 1.468,503 0.945,504 1.276,505 0.584,506 1.147,507 0.626,508 1.115,509 0.956,510 1.056,511 0.385,512 1.038,513 0.998,514 0.966,515 0.983,516 0.959,517 0.68,518 0.959,519 0.969,520 1.189,521 1.036,522 1.18,523 0.936,524 1.13,525 1.273,526 0.906,527 0.93,528 0.882,529 1.303,530 0.865,531 1.681,532 0.903,533 1.058,534 0.916,535 1.594,536 0.924,537 1.79,538 1.206,539 1.247,540 1.155,541 2.134,542 1.151,543 1.489,544 0.926,545 1.2,546 0.983,547 2.022,548 1.049,549 4,550 0.069,551 2.222,552 1.576,553 1.103,554 0.545,555 0.375,556 0.26,557 0.176,558 0.115,559 4995,560 9588,561 2.07,562 54.2,563 5,564 10,567 1,569 10,572 1.642,573 1.941,574 3.342,575 -0.354,577 1,582 66.808,583 1.392,584 3.061,585 4.475,586 5.095,587 5.095,588 5.095,589 2.902,590 3.936,591 4.421,592 3.467,593 800.814,594 7.585,595 8820.83,597 1,599 1,600 268.078,601 1.395,602 4.392,603 0.167,604 0.007,605 0.067,606 0.049,607 0.039,608 0.023,609 0.018,610 0.014,611 0.012,612 0.01,613 0.406,614 0.5,615 1,616 1.923,617 101.974,618 0.005,619 -0.159,620 0.066,621 -0.059,622 -0.001,623 0.001,624 0.296,625 0.059,626 0.052,627 0.017,628 0.242,629 0.007,630 -0.076,631 0.076,632 0.001,633 0.045,634 -0.001,635 0.039,636 -0.03,637 -0.188,638 -0.062,639 -0.154,640 0.01,641 -0.119,642 -0.06,643 0.015,644 0.071,645 0.039,646 -0.047,647 0.07,648 -0.079,649 0.036,650 -0.01,651 0.045,652 -0.097,653 0.026,654 -0.21,655 -0.201,656 -0.193,657 -0.151,658 -0.264,659 -0.173,660 -0.06,661 0.071,662 -0.161,663 -0.039,664 -0.175,665 -0.108,666 2.01,667 4.772,668 0.545,669 20.223,670 0.989,671 1.133,672 2.713,673 7.359,674 0.626,675 3.219,676 3.526,677 3.829,678 4.143,679 4.344,680 4.511,681 4.673,682 4.754,683 4.745,684 4.762,685 5.892,686 0.579,687 302.46,688 3.219,689 4.745,690 5.602,691 6.491,692 7.378,693 8.283,694 9.186,695 10.1,696 11.012,697 11.931,698 4.2,701 1,705 1,715 3,720 3,722 6,737 1,741 48,743 7,744 1,745 24,747 50,748 18,749 6,750 3,751 3,756 3,757 6,763 2,767 3,768 1,770 5,772 7,773 11,774 1,777 1,782 1,786 1,789 1,790 1,793 26,794 4,795 1,796 4,802 2,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 2,868 22,876 7,877 1,878 1,880 2,881 1,893 4.2,896 1,898 1,901 11.333,902 8.95,903 5.028,904 3.489,907 1.304,908 1.184,909 0.946,910 4.918,911 8.374,912 3.367,913 3.839,914 4.307,915 4.831,916 5.305,917 5.566,918 5.909,919 6.188,920 6.225,921 6.332,922 1,923 32,924 8.203,926 3.435,927 0.026,929 7.538,931 16.333,933 13.807,936 2.038,937 44.833,938 0.001,940 1,941 294.278,942 80.911,943 21.135,945 36.145,948 80.911,949 330.422,950 21.135,951 17.65,952 34.466,953 28.429,954 25.145,955 25.739,956 6.763,957 294.278,959 294.278,960 102.047,961 36.145,964 176.567,965 153.856,968 55.241,969 46.806,972 294.278,973 57.28,974 80.911,977 294.278,978 34.832,979 49.203,980 18.011,981 36.145,982 294.278,983 57.28,984 80.911,986 0.564,987 0.333,988 0.186,989 0.099,990 16,991 7,992 0.12,993 6,994 2,995 1.333,996 3.483,997 169.331,998 0.333,999 12,1000 98.107,1005 15.666,1006 6.907,1007 3.271,1009 57.28,1010 6.143,1015 3.482,1017 18.011,1018 432.469,1019 28,1024 11.772,1028 -0.343,1031 47.461,1032 54.398,1034 0.249,1035 0.548,1036 0.801,1037 0.912,1038 0.912,1039 0.912,1040 4.62,1041 1.085,1042 5.58,1043 2.998,1044 4.205,1045 4.522,1046 2.351,1047 6.412,1048 4.135,1049 5.766,1050 0.708,1051 7.144,1052 2.729,1053 3.761,1054 4.27,1055 1.847,1056 7.357,1057 3.657,1058 7.051,1059 0.541,1060 8.813,1061 1.307,1062 5.802,1063 6.525,1064 3.504,1065 10.5,1066 5.667,1067 8.371,1068 0.198,1069 10.545,1070 1.066,1071 6.236,1072 7.108,1073 3.598,1074 12.334,1075 6.08,1076 9.729,1077 -0.209,1078 12.319,1079 0.348,1080 7.724,1081 8.873,1082 4.907,1083 14.997,1084 7.546,1085 11.112,1086 -0.448,1087 14.123,1088 -0.424,1089 8.569,1090 9.838,1091 5.29,1092 17.196,1093 8.381,1094 12.514,1095 -0.826,1096 15.949,1097 -0.865,1098 9.849,1099 11.411,1100 6.387,1101 19.706,1102 9.646,1103 3.284,1104 -0.893,1105 17.794,1106 -2.169,1107 10.882,1108 12.57,1109 6.93,1110 22.052,1111 10.673,1112 2.681,1113 11.519,1114 19.653,1115 -2.47,1116 12.089,1117 14.055,1118 7.902,1119 24.514,1120 11.868,1121 2.419,1122 8.537,1123 21.524,1124 4.007,1125 13.205,1126 15.316,1127 8.539,1128 26.917,1129 12.977,1130 2.014,1131 7.162,1132 23.404,1133 3.141,1134 14.39,1135 16.756,1136 9.436,1137 29.365,1138 14.151,1139 1.851,1140 5.785,1141 25.291,1142 2.798,1143 15.543,1144 18.073,1145 10.13,1146 31.791,1147 15.295,1148 1.564,1149 5.416,1150 27.186,1151 2.516,1152 16.723,1153 19.49,1154 10.981,1155 34.235,1156 16.464,1157 1.325,1158 3.9,1159 29.085,1160 2.168,1161 17.893,1162 20.838,1163 11.71,1164 36.671,1165 17.623,1166 4979,1167 7011,1168 16.008,1169 30.057,1170 35.352,1171 36.339,1172 37.184,1173 35.368,1174 35.342,1175 40.942,1176 6.705,1177 101.535,1178 34.145,1179 5.431,1180 5.669,1181 6.786,1182 5.341,1183 5.284,1184 7.007,1185 3.889,1186 18.863,1187 5.232,1188 10.488,1189 1.473,1190 1.514,1191 1.549,1192 1.474,1193 1.473,1194 1.706,1195 0.279,1196 4.231,1197 1.423,1198 4.082,1199 4.116,1200 4.017,1201 4.007,1202 7.435,1203 4.005,1204 3.739,1205 3.797,1206 3.642,1207 3.567,1208 4.814,1209 3.573,1210 3.683,1211 3.744,1212 3.542,1213 3.54,1214 4.395,1215 3.527,1216 3.43,1217 3.487,1218 3.305,1219 3.217,1220 4.243,1221 3.211,1222 3.346,1223 3.427,1224 3.141,1225 3.125,1226 4.102,1227 3.138,1228 3.169,1229 3.243,1230 2.986,1231 3.013,1232 3.904,1233 2.996,1234 2.993,1235 3.054,1236 2.784,1237 2.761,1238 3.828,1239 2.751,1240 2.88,1241 2.952,1242 2.716,1243 2.721,1244 3.568,1245 2.727,1246 0.186,1247 0.153,1248 0.286,1249 0.178,1250 0.137,1251 4.469,1252 0.167,1253 3.669,1254 0.091,1255 6.875,1256 0.48,1257 4.267,1258 0.135,1259 3.284,1260 4.007,1261 2.186,1262 11.519,1263 3.232,1264 1.901,1265 1.883,1266 2.003,1267 1.99,1268 1.279,1269 1.992,1270 1.7,1271 1.63,1272 1.97,1273 1.897,1274 1.254,1275 1.923,1276 1.64,1277 1.575,1278 1.876,1279 1.851,1280 1.216,1281 1.863,1282 1.557,1283 1.493,1284 1.802,1285 1.711,1286 1.071,1287 1.745,1288 1.323,1289 1.264,1290 1.615,1291 1.62,1292 0.826,1293 1.613,1294 1.263,1295 1.176,1296 1.593,1297 1.489,1298 0.754,1299 1.533,1300 1.016,1301 0.964,1302 1.258,1303 1.293,1304 0.458,1305 1.286,1306 0.878,1307 0.818,1308 1.179,1309 1.114,1310 0.255,1311 1.147,1312 3.892,1314 5.198,1315 3.045,1316 6.698,1317 5.476,1318 8.299,1319 7.636,1320 9.964,1322 4.339,1328 7.392,1329 2.793,1330 5.424,1332 1.26,1333 2.572,1340 27.794,1341 66.808,1342 146.951,1343 214.794,1344 244.568,1345 244.568,1346 244.568,1347 33.284,1348 7.07,1349 41.57,1350 41.57,1351 16,1352 12.442,1353 3,1354 2.322,1355 34.682,1356 78,1357 94,1358 0.227,1359 171.124,1360 301,1361 409.302,1362 10013,1364 15.527,1365 0.706,1366 0.618,1367 15.527,1368 13.6,1369 10.724,1370 0.447,1371 0.356,1372 8.459,1373 10.354,1374 8.24,1375 6.855,1376 10.724,1377 8.551,1378 9.249,1379 0.28,1380 0.192,1381 9.249,1382 6.326,1383 7.868,1384 0.175,1385 0.112,1386 7.868,1387 5.023,1388 6.759,1389 0.109,1390 0.062,1391 6.759,1392 3.848,1393 5.233,1394 0.069,1395 0.034,1396 5.233,1397 2.572,1398 0.357,1399 66.766,1400 0.25,1401 21.864,1402 0.619,1403 114,1404 281.449,1405 124.889,1406 267.34,1407 369.57,1408 252,1409 135,1410 276.064,1411 144.645,1412 275.27,1413 407.6,1414 261,1415 5.968}
{0 CHEMBL337453,1 1.678,2 5.75,3 2.988,4 8.926,5 64.171,6 8.693,7 0.611,8 3.436,9 3.539,10 3.138,11 3.041,12 4.545,13 3.024,14 3.961,15 4.098,16 3.547,17 3.452,18 5.039,19 3.412,20 4.199,21 4.379,22 3.685,23 3.572,24 5.247,25 3.514,26 4.164,27 4.35,28 3.644,29 3.444,30 5.395,31 3.38,32 4.026,33 4.232,34 3.16,35 3.254,36 5.051,37 3.131,38 3.785,39 4.02,40 2.83,41 2.957,42 4.715,43 2.775,44 3.457,45 3.757,46 2.057,47 2.52,48 4.131,49 2.238,50 2.781,51 3.122,52 0.722,53 1.684,54 3.34,55 1.311,56 0.041,57 0.383,58 4.391,59 2.31,60 5.792,61 2.784,62 0.143,63 0.612,64 9.264,65 4.276,66 11.176,67 5.246,68 0.165,69 0.756,70 14.909,71 5.554,72 14.942,73 6.938,74 0.338,75 0.725,76 15.499,77 4.717,78 35.075,79 5.802,80 0.257,81 0.594,82 15.584,83 4.544,84 26.079,85 5.421,86 0.226,87 0.431,88 13.594,89 4.167,90 21.751,91 5.319,92 0.125,93 0.287,94 11.391,95 3.383,96 13.605,97 4.61,98 0.076,99 0.131,100 7.184,101 1.781,102 8.532,103 2.499,104 5,105 26,106 0.328,107 0.735,108 0.838,109 0.873,110 0.873,111 0.873,112 2.857,113 0.941,114 -3.95,115 -3.9,116 -3.7,121 44.4,123 2,127 1,144 3,145 2,146 2,148 1,149 1,165 1,166 1,167 1,176 4,179 1,180 5,185 2,187 7,189 2,192 3,197 1,200 3,203 1,206 5,208 2,209 2,211 4,214 5,216 4,219 1,224 1,227 4,229 1,232 2,239 4,251 1,281 178,282 10.914,283 10.914,284 10.914,285 10.914,286 10.914,287 9.529,288 10.476,289 6.356,290 11.222,291 8.873,292 8.873,293 8.873,294 8.873,295 8.873,296 6.762,297 10.738,298 2.985,299 9.44,300 3.077,301 1.001,302 0.472,303 0.296,304 0.296,305 0.296,306 3.532,308 1,311 1,312 1,313 202,314 1.732,318 77.413,322 85.609,325 0.906,326 15.276,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 34.333,338 92,339 4.687,340 3.444,341 6.905,342 4.225,343 3.261,344 4.64,345 0.86,346 11.505,347 3.14,348 4.006,349 3.027,350 6.153,351 3.596,352 2.653,353 3.527,355 8.884,356 2.498,357 3.525,358 2.352,359 5.299,360 3.045,361 2.11,362 2.952,364 6.425,365 1.954,366 3.163,367 2.266,368 4.845,369 2.72,370 1.824,371 2.398,373 5.031,374 1.593,375 2.743,376 1.612,377 4.043,378 2.376,379 1.414,380 1.837,382 3.316,383 1.342,384 2.488,385 1.573,386 3.666,387 2.292,388 1.326,389 1.488,391 2.993,392 1.261,393 2.027,394 1.199,395 3.472,396 1.809,397 0.896,398 0.985,400 2.108,401 0.797,402 1.342,403 0.364,404 2.938,405 0.933,411 1.074,412 0.166,413 2.548,414 0.622,415 -0.222,416 -0.272,418 -0.539,419 -0.15,420 0.832,421 -0.237,422 2.337,423 0.408,424 -0.504,425 -0.633,427 -1.221,428 -0.451,429 0.27,430 -0.603,431 2,432 0.09,433 -0.856,434 -0.94,436 -2.048,437 -0.801,438 0.152,439 -0.912,440 1.834,441 -0.208,442 -1.137,443 -1.458,445 -3.024,446 -1.001,447 -0.102,448 -1.108,449 1.518,450 -0.557,451 -1.414,452 -1.797,454 -3.592,455 -1.186,456 -0.257,457 -1.38,458 1.315,459 -0.647,460 -1.529,461 -1.942,463 -4.536,464 -1.466,465 -0.5,466 -1.656,467 1.249,468 -0.88,469 -1.822,470 -2.203,472 -5.246,473 -1.683,474 7.848,475 0.49,476 0.401,477 0.025,478 21.5,479 1.344,480 11,481 0.688,482 10.5,483 0.656,484 11.06,485 0.691,486 16.752,487 0.62,488 12.269,489 0.767,490 4.031,491 0.252,492 3.74,493 0.234,494 0.142,496 0.382,501 0.829,502 1.058,503 0.563,504 0.813,505 0.926,506 0.772,507 0.858,508 1.073,509 0.612,510 0.848,511 0.658,512 0.834,513 0.993,514 1.201,515 0.783,516 0.918,517 0.892,518 0.861,519 1.105,520 1.069,521 1.018,522 0.998,523 1.055,524 1.008,525 1.549,526 0.934,527 1.421,528 1.094,529 1.621,530 1.183,531 0.865,532 0.934,533 1.239,534 1.261,535 1.051,536 1.269,537 0.734,538 0.792,539 1.223,540 1.095,541 0.797,542 1.123,543 0.709,544 0.663,545 1.566,546 1.197,547 0.888,548 1.132,549 2.5,551 2,552 1.625,553 1.311,554 0.41,555 0.1,556 0.028,559 1798,560 5213,561 2.135,562 40.7,563 2,564 5,567 2,569 2,572 1.559,573 2,574 2.577,575 0.451,579 1,582 45.309,583 1.678,584 3.754,585 4.282,586 4.459,587 4.459,588 4.459,589 1.924,590 3.25,591 3.979,592 2.59,593 310.851,594 6.732,595 2591.95,597 1,599 1,600 128.382,601 1.406,602 3.933,603 0.139,605 0.077,606 0.058,607 0.057,608 0.029,609 0.013,610 0.009,613 0.382,614 1,615 1,616 0.625,617 61.746,618 -0.094,619 0.057,620 0.006,621 0.054,622 -0.148,623 0.067,624 0.036,625 -0.05,626 0.065,627 0.062,628 0.066,629 0.059,630 -0.062,631 -0.211,632 0.082,633 0.02,634 -0.011,635 0.073,636 0.059,637 -0.002,638 -0.026,639 -0.097,640 0.186,641 -0.132,642 -0.369,643 0.051,644 -0.341,645 -0.142,646 -0.426,647 -0.257,648 0.096,649 -0.078,650 -0.113,651 -0.235,652 -0.061,653 -0.231,654 0.021,655 -0.041,656 -0.003,657 0.004,658 -0.011,659 0.037,660 0.042,661 0.024,662 -0.096,663 -0.04,664 0.006,665 0.106,666 1.018,667 2.136,668 0.875,669 7.234,670 1.01,671 1.119,672 2.721,673 7.402,674 0.709,675 2.944,676 3.296,677 3.638,678 3.951,679 4.19,680 4.234,681 4.29,682 4.344,683 4.344,684 4.025,685 3.567,686 0.675,687 234.7,688 2.944,689 4.489,690 5.371,691 6.275,692 7.172,693 8.084,694 8.986,695 9.899,696 10.803,697 11.717,698 7.4,702 1,708 1,714 2,715 3,716 1,720 4,722 11,733 1,739 1,740 1,741 27,743 11,744 1,745 18,747 29,748 12,749 9,750 3,751 3,756 3,757 6,758 1,767 2,770 2,772 9,773 3,790 1,793 11,794 3,795 2,796 4,797 1,802 2,808 0.333,809 1,822 1,829 3,833 2,859 1,865 1,868 16,869 1,876 3,878 1,892 1,893 3.7,898 1,901 8,902 4.843,903 3.472,904 1.67,907 2.419,908 1.372,909 1.036,910 2.319,911 8.925,912 3.199,913 3.882,914 4.567,915 5.224,916 5.821,917 6.17,918 6.508,919 6.843,920 7.131,921 6.914,922 0.75,923 28,924 5.894,926 2.56,927 0.026,929 7.694,931 11.323,933 9.575,936 2.194,937 35.111,938 0.003,941 105.94,942 57.065,943 49.683,944 39.149,945 11,948 57.065,949 156.088,950 49.683,952 9.661,953 61.326,954 16.786,955 25.16,956 4.815,957 105.94,958 39.149,959 105.94,960 106.748,961 11,962 39.149,964 82.398,965 34.542,968 11.806,969 78.156,970 55.934,972 105.94,973 60.683,974 96.213,977 105.94,978 28.636,979 28.429,981 99.831,982 105.94,983 60.683,984 96.213,986 0.588,987 0.365,988 0.212,989 0.113,990 15,991 6,994 2,995 1.286,996 2.78,997 117.95,998 0.286,999 14,1000 64,1005 10.027,1006 3.7,1007 1.521,1008 1.638,1009 60.683,1010 5.597,1011 4.451,1015 3.02,1017 32.897,1018 262.836,1019 23.5,1031 27.273,1032 30.226,1034 0.353,1035 0.79,1036 0.901,1037 0.938,1038 0.938,1039 0.938,1040 4.44,1042 5.371,1043 2.108,1044 3.97,1045 4.564,1046 0.908,1047 6.244,1048 3.853,1049 5.674,1050 -0.222,1051 6.967,1053 3.611,1054 4.559,1056 7.273,1057 3.418,1058 7.015,1059 -0.504,1060 8.67,1061 -0.539,1062 5.609,1063 6.913,1064 0.739,1065 10.439,1066 5.411,1067 8.4,1068 -0.856,1069 10.437,1070 -1.221,1071 6.089,1072 7.751,1074 12.303,1075 5.832,1076 9.82,1077 -1.137,1078 12.243,1079 -2.048,1080 7.572,1081 9.601,1082 0.593,1083 14.993,1084 7.304,1085 11.266,1086 -1.414,1087 14.077,1088 -3.024,1089 8.441,1090 10.821,1092 17.19,1093 8.126,1094 12.731,1095 -1.529,1096 15.93,1097 -3.592,1098 9.724,1099 12.476,1100 0.469,1101 19.717,1102 9.389,1103 3.261,1104 -1.822,1105 17.797,1106 -4.536,1107 10.768,1108 13.87,1110 22.052,1111 10.391,1112 2.653,1113 11.505,1114 19.676,1115 -5.246,1116 11.977,1117 15.448,1118 0.366,1119 24.522,1120 11.572,1121 2.11,1122 8.884,1123 21.563,1124 4.64,1125 13.095,1126 16.92,1128 26.916,1129 12.652,1130 1.824,1131 6.425,1132 23.457,1133 3.527,1134 14.28,1135 18.47,1136 0.283,1137 29.366,1138 13.805,1139 1.414,1140 5.031,1141 25.356,1142 2.952,1143 15.431,1144 19.976,1146 31.785,1147 14.919,1148 1.326,1149 3.316,1150 27.26,1151 2.398,1152 16.608,1153 21.515,1154 0.217,1155 34.229,1156 16.063,1157 0.896,1158 2.993,1159 29.168,1160 1.837,1161 17.774,1162 23.036,1164 36.66,1165 17.192,1166 1775,1167 3104,1168 12.137,1169 19.131,1170 27.077,1171 27.798,1172 28.423,1173 27.15,1174 26.969,1175 35.654,1176 1.72,1177 80.524,1178 25.17,1179 5.632,1180 5.444,1181 6.587,1182 5.313,1183 5.261,1184 7.64,1185 1.72,1186 19.059,1187 5.14,1188 6.024,1189 1.504,1190 1.544,1191 1.579,1192 1.508,1193 1.498,1194 1.981,1195 0.096,1196 4.474,1197 1.398,1198 4.096,1199 4.117,1200 4.139,1201 4.024,1202 5.185,1203 4.029,1204 3.697,1205 3.735,1206 3.699,1207 3.585,1208 4.864,1209 3.58,1210 3.29,1211 3.361,1212 3.347,1213 3.146,1214 4.736,1215 3.139,1216 3.09,1217 3.147,1218 3.153,1219 2.925,1220 4.358,1221 2.931,1222 2.838,1223 2.921,1224 2.864,1225 2.628,1226 3.981,1227 2.618,1228 2.729,1229 2.822,1230 2.56,1231 2.467,1232 3.726,1233 2.48,1234 2.583,1235 2.623,1236 2.481,1237 2.368,1238 3.324,1239 2.375,1240 2.032,1241 2.185,1242 2.163,1243 1.696,1244 3.164,1245 1.683,1246 0.26,1247 0.191,1248 0.384,1249 0.235,1250 0.181,1251 4.687,1252 0.258,1253 3.444,1254 0.048,1255 6.905,1256 0.639,1257 4.225,1258 0.174,1259 3.261,1260 4.64,1261 0.86,1262 11.505,1263 3.14,1264 2.044,1265 2.026,1266 2.1,1267 2.138,1268 1.325,1269 2.13,1270 1.686,1271 1.647,1272 1.88,1273 1.833,1274 1.114,1275 1.852,1276 1.278,1277 1.219,1278 1.489,1279 1.482,1280 0.636,1281 1.491,1282 0.996,1283 0.953,1284 1.213,1285 1.248,1286 0.362,1287 1.228,1288 0.821,1289 0.744,1290 1.142,1291 1.125,1292 0.154,1293 1.157,1294 0.652,1295 0.555,1296 0.961,1297 0.932,1299 0.965,1300 0.554,1301 0.492,1302 0.803,1303 0.746,1305 0.767,1306 0.058,1308 0.567,1309 0.439,1311 0.503,1312 3.611,1314 4.949,1316 6.521,1318 8.203,1320 9.941,1323 6.144,1326 6.136,1328 2.607,1330 5.518,1340 18.219,1341 45.309,1342 101.362,1343 115.627,1344 120.382,1345 120.382,1346 120.382,1347 19.344,1348 6.506,1349 48.14,1350 48.14,1351 18,1352 12.231,1353 3.585,1354 2.7,1355 21.59,1356 37,1357 24,1358 0.333,1359 114.979,1360 190.08,1361 272.309,1362 4762,1363 3.7,1364 11.121,1365 0.695,1366 0.589,1367 11.621,1368 9.42,1369 7.771,1370 0.432,1371 0.314,1372 5.237,1373 7.256,1374 5.113,1375 4.183,1376 8.06,1377 5.643,1378 7.049,1379 0.271,1380 0.165,1381 7.42,1382 4.302,1383 6.292,1384 0.17,1385 0.086,1386 6.628,1387 3.191,1388 5.67,1389 0.111,1390 0.046,1391 6.059,1392 2.366,1393 4.472,1394 0.069,1395 0.025,1396 4.689,1397 1.603,1398 0.478,1399 51.406,1400 0.287,1401 15.465,1402 1.058,1403 88,1404 248.896,1405 110.254,1406 271.208,1407 368.72,1408 254,1409 107,1410 255.979,1411 125.862,1412 268.26,1413 400.6,1414 254,1415 6.504}
{0 CHEMBL337486,1 1.723,2 10.704,3 5.079,4 25.791,5 108.586,6 7.865,7 0.379,8 4.035,9 4.156,10 3.691,11 3.578,12 5.04,13 3.521,14 4.614,15 4.801,16 4.048,17 3.95,18 5.592,19 3.86,20 4.828,21 5.063,22 4.091,23 4.056,24 5.776,25 3.923,26 4.796,27 5.035,28 4.045,29 3.95,30 5.828,31 3.846,32 4.715,33 4.953,34 4.03,35 3.935,36 5.736,37 3.827,38 4.647,39 4.838,40 4.087,41 3.991,42 5.706,43 3.862,44 4.644,45 4.819,46 3.972,47 3.97,48 5.685,49 3.852,50 4.712,51 4.923,52 3.891,53 3.993,54 5.628,55 3.862,56 0.039,57 0.774,58 11.151,59 5.083,60 5.234,61 6.536,62 0.387,63 1.241,64 26.001,65 8.529,66 24.256,67 11.245,68 0.44,69 1.395,70 36.227,71 11.2,72 39.524,73 14.673,74 0.475,75 1.366,76 35.501,77 9.573,78 50.445,79 12.732,80 0.545,81 1.324,82 31.03,83 8.69,84 49.32,85 11.313,86 0.437,87 1.313,88 33.9,89 9.567,90 40.383,91 11.202,92 0.41,93 1.251,94 32.878,95 9.73,96 37.216,97 11.44,98 0.261,99 1.243,100 28.438,101 9.724,102 31.383,103 13.051,104 16,105 38,106 0.291,107 0.572,108 0.753,109 0.811,110 0.824,111 0.824,112 3.34,113 1.115,114 -5.65,115 -5.52,116 -5.14,121 36.5,122 1,123 4,127 5,144 4,145 1,146 1,151 1,161 1,164 1,168 1,176 8,179 5,180 4,187 10,191 3,192 6,200 7,205 2,206 10,214 4,218 2,219 7,227 3,231 1,232 11,239 4,243 1,244 11,251 3,256 6,264 6,269 8,277 5,281 1309,282 18.543,283 18.543,284 18.543,285 18.543,286 18.543,287 17.169,288 14.475,289 11.509,290 19.3,291 14.309,292 14.309,293 14.309,294 14.309,295 14.309,296 12.12,297 13.507,298 5.492,299 15.556,300 3.977,301 2.312,302 1.245,303 0.899,304 0.822,305 0.822,306 4.023,308 1,311 1,312 1,313 606,314 3.464,317 81.721,318 191.227,325 1.588,326 26.013,329 0.75,330 1,331 1,332 1,333 1,334 1,335 1,336 0.96,337 58.333,338 289,339 4.504,340 4.447,341 6.667,342 4.093,343 3.164,344 4.185,345 2.95,346 10.714,347 2.942,348 4.098,349 3.739,350 6.127,351 3.744,352 2.783,353 3.636,354 1.678,355 8.958,356 2.669,357 3.76,358 3.003,359 5.683,360 3.383,361 2.48,362 3.075,363 0.86,364 7.524,365 2.221,366 3.496,367 2.872,368 5.03,369 3.085,370 2.203,371 2.731,372 0.527,373 6.031,374 1.882,375 2.976,376 2.593,377 4.651,378 2.818,379 1.87,380 2.006,382 4.701,383 1.785,384 2.843,385 2.546,386 4.259,387 2.652,388 1.721,389 1.904,391 3.853,392 1.56,393 2.706,394 1.945,395 3.816,396 2.332,397 1.427,398 1.739,400 3.438,401 1.264,402 2.5,403 1.76,404 3.743,405 2.128,406 1.233,407 1.5,409 3.01,410 1.086,411 2.431,412 1.653,413 3.414,414 2.065,415 1.127,416 1.412,418 2.275,419 1.042,420 2.236,421 1.276,422 3.292,423 2,424 1,425 1.219,427 2.249,428 1,429 2.05,430 1.256,431 3.257,432 1.952,433 1,434 1,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.563,442 0.563,443 0.779,445 1.442,446 0.55,447 1.568,448 0.893,449 2.666,450 1.411,451 0.495,452 0.524,454 0.881,455 0.443,456 1.121,457 0.396,458 2.532,459 0.717,460 -0.17,461 -0.195,463 -0.336,464 -0.124,465 0.846,466 0.224,467 2.245,468 0.609,469 -0.266,470 -0.306,472 -0.525,473 -0.225,474 13.314,475 0.493,476 0.486,477 0.018,478 29.5,479 1.093,480 12,481 0.444,482 17.5,483 0.648,484 27.033,485 1.001,486 30.486,487 0.586,488 20.068,489 0.743,490 5.193,491 0.192,492 7.993,493 0.296,494 0.116,496 0.248,501 0.686,502 1.435,503 0.672,504 1.065,505 0.549,506 1.033,507 0.858,508 1.168,509 0.857,510 1.04,511 0.607,512 0.985,513 0.867,514 1.064,515 0.898,516 0.957,517 0.759,518 0.895,519 1.138,520 1.138,521 0.925,522 0.969,523 1.496,524 0.876,525 1.163,526 0.926,527 0.867,528 0.735,529 1.38,530 0.724,531 1.146,532 1.172,533 1.42,534 1.341,535 1.162,536 1.039,537 1.238,538 1.24,539 1.446,540 1.484,541 1.485,542 1.191,543 0.93,544 1.111,545 0.714,546 0.965,547 1.208,548 1.154,549 4,550 0.107,551 2.667,552 1.507,553 1.313,554 0.928,555 0.497,556 0.368,557 0.216,558 0.178,559 8476,560 22863,561 2.057,562 48.1,563 9,564 14,569 2,572 1.707,573 1.952,574 3.387,575 -0.696,582 89.616,583 1.723,584 3.388,585 4.455,586 4.801,587 4.878,588 4.878,589 2.876,590 4.385,591 4.715,592 3.551,593 1246.31,594 8.226,595 16377.6,597 1,600 296.423,601 1.277,602 4.698,603 0.138,604 0.005,605 0.07,606 0.04,607 0.036,608 0.026,609 0.014,610 0.011,611 0.007,612 0.007,613 0.354,614 0.17,615 0.88,616 1.585,617 134.088,618 0.042,619 -0.194,620 0.058,621 -0.061,622 0.015,623 -0.035,624 0.13,625 -0.036,626 0.034,627 -0.032,628 0.084,629 -0.021,630 0.085,631 -0.059,632 0.093,633 0.057,634 0.12,635 0.091,636 -0.025,637 -0.093,638 0.052,640 -0.02,641 0.059,642 -0.043,643 0.192,644 0.076,645 0.253,646 -0.059,647 0.192,648 -0.093,649 0.081,650 -0.155,651 -0.062,652 -0.031,653 -0.057,654 -0.131,655 -0.042,656 -0.283,657 -0.254,658 -0.133,659 -0.201,660 -0.107,661 -0.092,662 -0.03,663 -0.095,664 -0.14,665 -0.185,666 1.804,667 5.951,668 0.63,669 28.793,670 1.003,671 1.132,672 4.417,673 19.506,674 0.669,675 3.401,676 3.664,677 3.912,678 4.143,679 4.357,680 4.443,681 4.543,682 4.654,683 4.762,684 4.736,685 6.467,686 0.622,687 409,688 3.401,689 4.905,690 5.733,691 6.586,692 7.442,693 8.311,694 9.182,695 10.061,696 10.941,697 11.826,698 7.7,705 1,706 1,708 2,715 4,716 2,720 4,721 1,722 11,740 1,741 52,743 12,744 1,745 29,747 54,748 19,749 8,750 2,751 4,752 1,756 3,757 3,758 1,761 1,763 1,770 4,772 9,773 10,777 1,782 1,786 1,793 25,794 5,796 8,797 2,802 4,808 1,809 2,828 1,829 2,858 1,859 3,860 1,862 1,864 1,865 1,868 27,876 9,878 1,879 1,881 1,890 1,892 1,893 3.8,896 1,897 1,901 13.833,902 9.526,903 6.194,904 3.527,907 1.966,908 1.279,909 0.95,910 7.857,911 9.024,912 3.597,913 4.09,914 4.626,915 5.153,916 5.596,917 5.917,918 6.23,919 6.571,920 6.922,921 7.016,922 1,923 38,924 10.032,926 4.142,927 0.026,929 7.658,931 19.47,933 15.639,936 2.158,937 58.278,940 1,941 294.278,942 117.367,943 38.349,944 39.149,945 36.145,947 32.22,948 85.147,949 369.571,950 38.349,951 8.825,952 27.558,953 37.905,954 69.593,955 11.484,956 4.276,957 326.497,958 39.149,959 294.278,960 123.497,961 36.145,962 71.368,964 273.063,965 48.687,966 11,968 38.853,969 48.867,970 72.597,971 32.22,972 294.278,973 74.494,974 156.515,977 294.278,978 70.637,979 51.631,981 108.742,982 294.278,983 74.494,984 156.515,986 0.559,987 0.319,988 0.169,989 0.095,990 16,991 7,992 0.13,993 7,995 1,996 3.927,997 219.928,999 17,1000 120.382,1001 1,1005 20.499,1006 10.349,1007 5.626,1009 72.718,1010 7.353,1011 9.147,1015 2.7,1016 1.444,1018 525.287,1019 35.5,1024 12.951,1028 -0.137,1031 52.182,1032 58.843,1034 0.302,1035 0.594,1036 0.782,1037 0.842,1038 0.856,1039 0.856,1040 4.81,1041 1.233,1042 5.68,1043 3.438,1044 4.344,1045 4.775,1046 3.219,1047 6.447,1048 4.188,1049 5.959,1050 1.127,1051 7.207,1052 3.01,1053 3.761,1054 4.46,1055 1.305,1056 7.281,1057 3.488,1058 7.233,1059 1,1060 8.843,1061 2.275,1062 5.878,1063 6.861,1064 5.101,1065 10.41,1066 5.581,1067 8.55,1068 1,1069 10.547,1070 2.249,1071 6.196,1072 7.465,1073 2.419,1074 12.137,1075 5.805,1076 9.908,1077 0.563,1078 12.295,1079 2.136,1080 7.724,1081 9.297,1082 7.205,1083 14.762,1084 7.298,1085 11.294,1086 0.495,1087 14.075,1088 1.442,1089 8.468,1090 10.313,1091 3.517,1092 16.842,1093 7.962,1094 12.702,1095 -0.17,1096 15.877,1097 0.881,1098 9.753,1099 11.914,1100 9.354,1101 19.297,1102 9.201,1103 3.164,1104 -0.266,1105 17.696,1106 -0.336,1107 10.703,1108 13.128,1109 4.595,1110 21.528,1111 10.076,1112 2.783,1113 10.714,1114 19.526,1115 -0.525,1116 11.89,1117 14.628,1118 11.513,1119 23.921,1120 11.207,1121 2.48,1122 8.958,1123 21.366,1124 4.185,1125 12.938,1126 15.941,1127 5.656,1128 26.222,1129 12.181,1130 2.203,1131 7.524,1132 23.214,1133 3.636,1134 14.088,1135 17.396,1136 13.675,1137 28.593,1138 13.269,1139 1.87,1140 6.031,1141 25.068,1142 3.075,1143 15.182,1144 18.761,1145 6.706,1146 30.926,1147 14.29,1148 1.721,1149 4.701,1150 26.926,1151 2.731,1152 16.32,1153 20.197,1154 15.839,1155 33.292,1156 15.362,1157 1.427,1158 3.853,1159 28.789,1160 2.006,1161 17.438,1162 21.589,1163 7.75,1164 35.641,1165 16.405,1166 8388,1167 14024,1168 19.474,1169 34.813,1170 42.508,1171 46.149,1172 43.564,1173 42.424,1174 42.132,1175 51.42,1176 12.03,1177 114.422,1178 38.779,1179 5.504,1180 6.447,1181 6.619,1182 5.223,1183 5.164,1184 7.185,1185 5.9,1186 17.902,1187 4.942,1188 11.924,1189 1.466,1190 1.591,1191 1.502,1192 1.463,1193 1.453,1194 1.773,1195 0.415,1196 3.946,1197 1.337,1198 4.014,1199 4.059,1200 4.107,1201 3.899,1202 7.429,1203 3.9,1204 3.822,1205 3.861,1206 3.948,1207 3.686,1208 5.042,1209 3.672,1210 3.737,1211 3.802,1212 3.685,1213 3.58,1214 4.87,1215 3.58,1216 3.669,1217 3.723,1218 3.577,1219 3.48,1220 4.612,1221 3.48,1222 3.41,1223 3.489,1224 3.42,1225 3.262,1226 4.248,1227 3.233,1228 3.114,1229 3.206,1230 3.259,1231 2.941,1232 4.194,1233 2.911,1234 3.111,1235 3.131,1236 3.023,1237 2.907,1238 3.915,1239 2.91,1240 2.987,1241 3.075,1242 2.893,1243 2.844,1244 3.763,1245 2.802,1246 0.155,1247 0.153,1248 0.23,1249 0.141,1250 0.109,1251 4.504,1252 0.144,1253 4.447,1254 0.102,1255 6.667,1256 0.369,1257 4.093,1258 0.101,1259 3.164,1260 4.185,1261 2.95,1262 10.714,1263 2.942,1264 1.893,1265 1.872,1266 2.014,1267 1.993,1268 1.355,1269 1.98,1270 1.761,1271 1.702,1272 1.975,1273 1.958,1274 1.194,1275 1.965,1276 1.717,1277 1.66,1278 1.918,1279 1.915,1280 1.078,1281 1.951,1282 1.49,1283 1.434,1284 1.757,1285 1.687,1286 1.04,1287 1.714,1288 1.321,1289 1.261,1290 1.513,1291 1.614,1292 0.825,1293 1.581,1294 1.184,1295 1.145,1296 1.411,1297 1.376,1298 0.656,1299 1.429,1300 1.153,1301 1.064,1302 1.339,1303 1.368,1304 0.422,1305 1.361,1306 0.993,1307 0.913,1308 1.188,1309 1.237,1310 0.279,1311 1.274,1312 4.078,1314 5.352,1315 2.398,1316 6.821,1317 4.727,1318 8.381,1319 6.843,1320 9.992,1322 2.198,1323 5.975,1328 7.938,1330 5.347,1331 1.593,1333 1.769,1340 32.325,1341 89.616,1342 176.184,1343 231.668,1344 249.668,1345 253.668,1346 253.668,1347 50.626,1348 7.058,1349 60.25,1350 85.55,1351 17,1352 12.36,1353 3.7,1354 2.907,1355 46.666,1356 99,1357 134,1358 0.223,1359 207.914,1360 357.84,1361 499.07,1362 9738,1363 1.9,1364 19.062,1365 0.706,1366 0.635,1367 19.916,1368 17.137,1369 13.186,1370 0.455,1371 0.372,1372 9.4,1373 11.905,1374 9.085,1375 7.533,1376 13.929,1377 10.779,1378 11.135,1379 0.293,1380 0.209,1381 12.127,1382 7.926,1383 9.26,1384 0.189,1385 0.115,1386 10.196,1387 5.639,1388 7.34,1389 0.118,1390 0.062,1391 8.226,1392 3.867,1393 5.863,1394 0.076,1395 0.036,1396 6.806,1397 2.751,1398 0.346,1399 90.338,1400 0.227,1401 26.026,1402 0.623,1403 134,1404 409.115,1405 187.554,1406 437.099,1407 583.86,1408 410,1409 154,1410 388.697,1411 198.744,1412 409.362,1413 605.77,1414 385,1415 4.301}
{0 CHEMBL337675,1 1.436,2 10.407,3 4.899,4 24.004,5 108.256,6 6.769,7 0.4,8 4.075,9 4.203,10 3.573,11 3.597,12 5.084,13 3.563,14 4.656,15 4.854,16 4.002,17 4.038,18 5.63,19 3.989,20 4.894,21 5.072,22 4.09,23 4.251,24 5.828,25 4.168,26 5.134,27 5.393,28 3.993,29 4.283,30 5.997,31 4.153,32 5.061,33 5.316,34 3.827,35 4.134,36 5.995,37 3.987,38 4.947,39 5.237,40 3.616,41 3.869,42 5.847,43 3.734,44 4.541,45 4.769,46 3.525,47 3.654,48 5.573,49 3.575,50 4.399,51 4.595,52 3.476,53 3.641,54 5.507,55 3.564,56 0.039,57 0.786,58 12.459,59 5.066,60 9.304,61 7.086,62 0.41,63 1.309,64 23.755,65 8.421,66 33.825,67 12.227,68 0.179,69 1.647,70 29.541,71 11.29,72 26.689,73 16.019,74 0.356,75 1.897,76 39.36,77 13.263,78 44.235,79 19.767,80 0.352,81 1.635,82 36.868,83 13.037,84 52.534,85 18.659,86 0.516,87 1.292,88 34.416,89 11.056,90 62.624,91 15.621,92 0.39,93 0.953,94 22.416,95 7.352,96 41.902,97 10.028,98 0.335,99 0.917,100 18.943,101 6.229,102 39.122,103 8.646,104 37,105 46,106 0.239,107 0.563,108 0.776,109 0.849,110 0.873,111 0.873,112 3.34,113 0.943,114 -4.75,115 -4.66,116 -4.38,121 40.7,122 3,123 1,125 1,126 2,127 1,130 1,144 6,145 3,146 3,161 1,176 11,179 2,180 7,183 2,185 2,187 13,192 8,197 3,200 10,206 9,211 4,214 5,218 1,219 11,224 2,227 3,231 1,232 5,237 1,239 4,243 1,244 2,247 1,249 2,251 10,255 1,259 1,264 12,269 2,277 11,281 1020,282 17.634,283 17.634,284 17.634,285 17.634,286 17.634,287 15.99,288 27.816,289 9.865,290 17.994,291 14.744,292 14.744,293 14.744,294 14.744,295 14.744,296 12.21,297 39.086,298 4.655,299 15.322,300 4.319,301 2.374,302 1.098,303 0.662,304 0.514,305 0.514,306 4.028,311 1,312 1,313 613,314 3.536,317 105.636,318 147.003,320 85.235,321 90.085,324 126.133,325 1.547,326 18.748,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 57.5,338 281,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 4.251,349 3.68,350 6.211,351 3.868,352 2.89,353 3.89,354 0.966,355 8.893,356 2.829,357 3.974,358 2.974,359 6.169,360 3.628,361 2.67,362 3.316,363 0.693,364 8.807,365 2.555,366 3.67,367 2.815,368 6.093,369 3.389,370 2.449,371 2.898,372 0.366,373 8.456,374 2.288,375 3.49,376 2.742,377 5.438,378 3.289,379 2.351,380 2.75,382 7.139,383 2.195,384 3.413,385 2.503,386 4.936,387 3.092,388 2.109,389 2.563,391 5.758,392 2.068,393 3.279,394 2.331,395 4.843,396 2.914,397 1.936,398 2.416,400 5.32,401 1.873,402 2.811,403 1.747,404 4.697,405 2.44,406 1.493,407 1.921,409 4.388,410 1.411,411 2.615,412 1.662,413 4.216,414 2.348,415 1.362,416 1.629,418 3.609,419 1.335,420 2.517,421 1.171,422 4.111,423 2.127,424 1.133,425 1.521,427 3.06,428 1.126,429 1.785,430 0.933,431 3.722,432 1.695,433 0.73,434 0.761,436 1.823,437 0.702,438 1.532,439 0.749,440 3.089,441 1.258,442 0.283,443 0.336,445 0.661,446 0.274,447 1.234,448 0.585,449 3.037,450 0.902,451 -0.034,452 -0.041,454 -0.089,455 -0.032,456 1,457 0.218,458 2.659,459 0.661,460 -0.291,461 -0.3,463 -0.73,464 -0.273,465 0.762,466 -0.017,467 2.491,468 0.625,469 -0.362,470 -0.45,472 -0.911,473 -0.355,474 12.867,475 0.477,476 0.966,477 0.036,478 32.75,479 1.213,480 15,481 0.556,482 17.75,483 0.657,484 26.02,485 0.964,486 29.733,487 0.551,488 24.298,489 0.9,490 6.245,491 0.231,492 6.547,493 0.242,494 0.22,495 0.039,496 0.373,501 0.812,502 1.441,503 0.864,504 1.184,505 0.656,506 1.049,507 0.697,508 0.847,509 0.759,510 0.747,511 0.38,512 0.744,513 1.015,514 1.43,515 1.118,516 1.297,517 0.752,518 1.233,519 1.01,520 1.021,521 1.066,522 1.033,523 0.683,524 1.036,525 1.121,526 1.133,527 1.084,528 1.208,529 1.252,530 1.154,531 1.694,532 0.681,533 0.869,534 0.699,535 1.667,536 0.703,537 1.989,538 0.826,539 1.038,540 0.799,541 2.158,542 0.826,543 1.875,544 0.919,545 1.28,546 0.935,547 2.645,548 1.026,549 7.5,550 0.229,551 4.444,552 3.833,553 1.859,554 0.875,555 0.612,556 0.363,557 0.311,558 0.256,559 8817,560 18385,561 2.044,562 50,563 9,564 14,565 1,567 1,569 2,572 1.699,573 1.851,574 3.322,575 -0.382,582 77.52,583 1.436,584 3.381,585 4.657,586 5.092,587 5.241,588 5.241,589 2.707,590 4.357,591 4.731,592 3.512,593 1232.78,594 8.198,595 15691.1,597 1,600 310.764,601 1.72,602 4.648,603 0.25,604 0.01,605 0.097,606 0.08,607 0.045,608 0.027,609 0.023,610 0.014,611 0.012,612 0.011,613 0.569,614 0.5,615 1,616 0.658,617 133.312,618 0.003,619 -0.213,620 0.075,621 -0.076,622 -0.061,623 -0.006,624 0.3,625 0.306,626 0.224,627 0.263,628 0.266,629 0.242,630 -0.086,631 -0.307,632 -0.162,633 -0.244,634 -0.04,635 -0.221,636 -0.087,637 0.005,638 -0.085,639 -0.076,640 0.053,641 -0.071,642 0.017,643 -0.192,644 -0.09,645 -0.232,646 -0.003,647 -0.18,648 -0.054,649 0.138,650 0.19,651 0.223,652 -0.058,653 0.232,654 -0.11,655 0.106,656 0.033,657 0.16,658 -0.149,659 0.11,660 -0.2,661 0.154,662 -0.235,663 0.037,664 -0.299,665 -0.088,666 2.125,667 5.418,668 0.667,669 22.288,670 0.992,671 1.128,672 3.52,673 12.394,674 0.649,675 3.434,676 3.85,677 4.174,678 4.511,679 4.718,680 4.771,681 4.92,682 5.004,683 5.004,684 5.088,685 6.325,686 0.608,687 365.52,688 3.434,689 5.03,690 5.922,691 6.855,692 7.769,693 8.709,694 9.635,695 10.579,696 11.515,697 12.463,698 5.6,701 1,704 1,705 1,715 6,720 6,722 12,736 1,737 1,741 54,743 13,744 2,745 30,747 57,748 22,749 12,750 6,751 6,756 4,757 7,763 3,764 1,766 1,767 1,770 1,772 13,773 9,777 1,782 1,786 1,793 27,794 5,795 1,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 5,868 27,876 2,877 1,878 1,880 1,881 2,882 1,893 3.7,896 1,898 1,901 14.583,902 11.317,903 5.681,904 3.218,907 2.215,908 1.286,909 0.963,910 4.438,911 9.946,912 3.638,913 4.248,914 4.775,915 5.329,916 5.823,917 5.976,918 6.251,919 6.536,920 6.653,921 6.868,922 0.857,923 48,924 10.017,926 4.297,927 0.026,929 7.583,931 19.553,933 16.625,936 2.083,937 56.25,939 1,940 1,941 306.049,942 131.842,943 24.259,945 36.145,948 131.842,949 342.193,950 24.259,951 43.268,952 22.651,953 56.857,954 25.145,955 37.562,956 18.534,957 294.278,959 306.049,960 156.102,961 36.145,964 282.506,965 59.687,968 52.251,969 103.851,972 306.049,973 60.404,974 131.842,977 306.049,978 31.716,979 106.374,980 18.011,981 36.145,982 306.049,983 60.404,984 131.842,986 0.608,987 0.365,988 0.202,989 0.11,990 25,991 12,992 0.053,993 3,994 2,995 1.222,996 3.758,997 242.551,998 0.222,999 18,1000 128.382,1005 18.33,1006 6.537,1007 3.01,1009 60.404,1010 11.948,1015 5.956,1017 18.011,1018 498.295,1019 37,1024 12.418,1028 -0.458,1031 53.563,1032 60.896,1034 0.249,1035 0.587,1036 0.809,1037 0.885,1038 0.911,1039 0.911,1040 4.949,1041 1.493,1042 5.984,1043 5.32,1044 4.533,1045 4.934,1046 2.466,1047 6.929,1048 4.461,1049 6.187,1050 1.362,1051 7.637,1052 4.388,1053 4.443,1054 4.913,1055 1.905,1056 8.287,1057 4.349,1058 7.536,1059 1.133,1060 9.404,1061 3.609,1062 6.293,1063 7.09,1064 3.531,1065 11.451,1066 6.163,1067 8.918,1068 0.73,1069 11.244,1070 3.06,1071 7.004,1072 7.798,1073 3.612,1074 13.718,1075 6.862,1076 10.334,1077 0.283,1078 13.136,1079 1.823,1080 8.435,1081 9.545,1082 4.913,1083 16.54,1084 8.267,1085 11.775,1086 -0.034,1087 15.069,1088 0.661,1089 9.498,1090 10.591,1091 5.293,1092 19.13,1093 9.319,1094 13.237,1095 -0.291,1096 17.034,1097 -0.089,1098 10.815,1099 12.167,1100 6.388,1101 21.878,1102 10.616,1103 3.737,1104 -0.362,1105 19.024,1106 -0.73,1107 12.026,1108 13.386,1109 6.931,1110 24.567,1111 11.813,1112 2.89,1113 15.306,1114 21.034,1115 -0.911,1116 13.322,1117 14.882,1118 7.902,1119 27.299,1120 13.091,1121 2.67,1122 8.893,1123 23.06,1124 4.206,1125 14.593,1126 16.192,1127 8.539,1128 30.015,1129 14.344,1130 2.449,1131 8.807,1132 25.099,1133 3.89,1134 15.894,1135 17.649,1136 9.436,1137 32.744,1138 15.625,1139 2.351,1140 8.456,1141 27.147,1142 3.316,1143 17.19,1144 19.009,1145 10.13,1146 35.469,1147 16.902,1148 2.109,1149 7.139,1150 29.202,1151 2.898,1152 18.496,1153 20.447,1154 10.981,1155 38.197,1156 18.188,1157 1.936,1158 5.758,1159 31.264,1160 2.75,1161 19.803,1162 21.834,1163 11.71,1164 40.925,1165 19.475,1166 8417,1167 12297,1168 19.304,1169 35.063,1170 46.741,1171 47.62,1172 49.459,1173 46.323,1174 46.286,1175 56.416,1176 8.422,1177 146.442,1178 44.624,1179 5.797,1180 5.973,1181 7.329,1182 5.806,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 16.179,1189 1.558,1190 1.587,1191 1.649,1192 1.544,1193 1.543,1194 1.881,1195 0.281,1196 4.881,1197 1.487,1198 4.094,1199 4.131,1200 4.041,1201 3.997,1202 7.435,1203 4.003,1204 3.948,1205 3.98,1206 3.888,1207 3.882,1208 4.843,1209 3.879,1210 3.7,1211 3.742,1212 3.618,1213 3.563,1214 4.735,1215 3.567,1216 3.415,1217 3.457,1218 3.35,1219 3.186,1220 4.446,1221 3.194,1222 3.299,1223 3.385,1224 3.123,1225 3.1,1226 4.146,1227 3.113,1228 3.264,1229 3.353,1230 3.082,1231 3.046,1232 4.007,1233 3.039,1234 3.221,1235 3.302,1236 3.033,1237 2.986,1238 3.915,1239 2.999,1240 2.976,1241 3.093,1242 2.709,1243 2.761,1244 3.882,1245 2.727,1246 0.161,1247 0.132,1248 0.267,1249 0.157,1250 0.125,1251 4.832,1252 0.14,1253 3.973,1254 0.073,1255 8.006,1256 0.51,1257 4.714,1258 0.122,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.938,1265 1.912,1266 2.056,1267 2.035,1268 1.31,1269 2.041,1270 1.9,1271 1.88,1272 2.003,1273 1.984,1274 1.183,1275 1.99,1276 1.633,1277 1.577,1278 1.832,1279 1.836,1280 1.057,1281 1.837,1282 1.534,1283 1.453,1284 1.787,1285 1.755,1286 1.012,1287 1.775,1288 1.345,1289 1.279,1290 1.659,1291 1.587,1292 0.746,1293 1.59,1294 1.25,1295 1.19,1296 1.58,1297 1.519,1298 0.644,1299 1.542,1300 1.148,1301 1.077,1302 1.453,1303 1.442,1304 0.563,1305 1.441,1306 1.014,1307 0.899,1308 1.385,1309 1.291,1310 0.424,1311 1.353,1312 4.111,1314 5.501,1315 3.045,1316 7.081,1317 5.638,1318 8.755,1319 7.921,1320 10.486,1322 10.599,1328 2.173,1329 2.859,1330 5.612,1332 0.353,1333 4.732,1334 0.057,1340 32.815,1341 77.52,1342 182.551,1343 251.48,1344 274.989,1345 282.989,1346 282.989,1347 41.784,1348 7.731,1349 44.81,1350 44.81,1351 22,1352 12.956,1353 3.807,1354 3,1355 40.382,1356 104,1357 91,1358 0.193,1359 200.112,1360 350.02,1361 480.033,1362 24025,1364 19.345,1365 0.716,1366 0.617,1367 19.345,1368 16.667,1369 12.792,1370 0.426,1371 0.314,1372 9.308,1373 12.339,1374 8.851,1375 7.42,1376 12.792,1377 9.431,1378 12.588,1379 0.274,1380 0.177,1381 12.588,1382 8.144,1383 10.68,1384 0.167,1385 0.096,1386 10.68,1387 6.142,1388 9.396,1389 0.104,1390 0.053,1391 9.396,1392 4.732,1393 7.506,1394 0.068,1395 0.029,1396 7.506,1397 3.23,1398 0.303,1399 79.833,1400 0.228,1401 25.732,1402 0.529,1403 152,1404 375.094,1405 165.359,1406 365.078,1407 510.26,1408 342,1409 186,1410 390.092,1411 199.808,1412 399.727,1413 589.39,1414 372,1415 7.585}
{0 CHEMBL337714,1 2.016,2 8.818,3 3.428,4 11.748,5 77.605,6 9.439,7 0.478,8 3.682,9 3.793,10 3.472,11 3.18,12 4.946,13 3.182,14 4.223,15 4.397,16 3.922,17 3.492,18 6.007,19 3.51,20 4.234,21 4.368,22 3.912,23 3.576,24 5.725,25 3.584,26 4.486,27 4.705,28 3.882,29 3.494,30 5.966,31 3.539,32 4.237,33 4.437,34 3.686,35 3.477,36 5.562,37 3.435,38 4.112,39 4.269,40 3.493,41 3.446,42 5.359,43 3.34,44 4.085,45 4.252,46 3.47,47 3.309,48 5.671,49 3.243,50 4.228,51 4.512,52 3.221,53 3.207,54 5.383,55 3.083,56 0.211,57 0.761,58 4.551,59 3.29,60 29.107,61 3.282,62 0.946,63 1.429,64 17.043,65 5.102,66 140.171,67 5.478,68 0.44,69 1.198,70 9.6,71 5.497,72 43.904,73 5.798,74 1.046,75 1.23,76 21.415,77 5.389,78 134.615,79 5.245,80 0.678,81 1.04,82 13.824,83 5.085,84 88.651,85 4.7,86 0.442,87 0.878,88 18.993,89 6.031,90 55.879,91 5.455,92 0.565,93 0.874,94 11.219,95 4.867,96 56.513,97 5.504,98 0.697,99 0.809,100 19.025,101 5.929,102 79.04,103 8.142,104 60,105 34,106 0.373,107 0.677,108 0.742,109 0.763,110 0.763,111 0.763,112 3.147,113 0.961,114 -5.1,115 -5,116 -4.68,121 37.1,126 3,134 1,144 4,145 2,151 1,161 1,164 1,168 1,176 6,179 5,180 4,187 6,191 2,192 6,200 3,205 2,206 8,214 1,219 6,227 2,232 5,239 2,244 4,251 1,256 2,281 622,282 13.911,283 13.911,284 13.911,285 13.911,286 13.911,287 12.627,288 12.808,289 7.789,290 14.697,291 11.225,292 11.225,293 11.225,294 11.225,295 11.225,296 9.064,297 11.604,298 3.55,299 12.405,300 3.113,301 1.465,302 1.115,303 1.001,304 1.001,305 1.001,306 3.794,310 1,311 1,312 1,313 389,314 3.937,317 67.189,318 76.637,325 1.471,326 41.775,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 51.5,338 194,339 4.512,340 4.46,341 7.111,342 4.18,343 3.316,344 4.188,345 3.825,346 11.659,347 2.958,348 4.419,349 4.378,350 6.63,351 4.062,352 3.141,353 3.814,354 2.95,355 10.558,356 2.841,357 3.996,358 3.698,359 6.085,360 3.661,361 2.7,362 3.335,363 1.678,364 8.761,365 2.568,366 3.563,367 2.876,368 5.465,369 3.184,370 2.28,371 2.793,372 0.527,373 6.625,374 2.043,375 3.107,376 2.51,377 4.7,378 2.679,379 1.775,380 2.267,382 5.044,383 1.564,384 2.654,385 2.079,386 4.333,387 2.286,388 1.402,389 1.698,391 3.737,392 1.223,393 2.564,394 1.994,395 4.22,396 2.111,397 1.18,398 1.579,400 3.47,401 1.082,402 2.5,403 1.619,404 3.414,405 2,406 1,407 1.5,409 2.275,410 1,411 2.063,412 1.188,413 3.146,414 1.523,415 0.496,416 0.718,418 1.194,419 0.5,420 1.49,421 1,422 2.836,423 1.099,424 0.318,425 0.362,427 0.464,428 0.244,429 0.919,430 0.51,431 2.645,432 0.519,433 -0.451,434 -0.583,436 -1.119,437 -0.434,438 0.5,439 0.51,440 2.357,442 -1,443 -1,445 -2,446 -0.7,447 0.355,448 0.261,449 2,450 -0.088,451 -1,452 -1,454 -2.424,455 -0.7,456 0.097,457 -0.215,458 2,459 -0.1,460 -1,461 -1,463 -3,464 -0.83,466 -0.485,467 2,468 -0.3,469 -1,470 -1.204,472 -3,473 -0.9,474 10.124,475 0.46,476 0.851,477 0.039,478 26.5,479 1.205,480 12,481 0.545,482 14.5,483 0.659,484 17.198,485 0.782,486 25.276,487 0.722,488 21.627,489 0.983,490 5.367,491 0.244,492 4.868,493 0.221,494 0.266,495 0.049,496 0.326,498 3,501 0.582,502 1.1,503 0.632,504 1.05,505 0.597,506 0.983,507 0.419,508 0.676,509 0.84,510 0.911,511 0.379,512 0.689,513 0.667,514 1.199,515 0.672,516 1.215,517 0.622,518 1.155,519 1.35,520 0.943,521 0.941,522 0.645,523 1.261,524 0.689,525 1.164,526 0.9,527 1.14,528 0.782,529 1,530 0.943,531 0.808,532 0.878,533 2.025,534 1.721,535 0.674,536 1.42,537 0.527,538 0.712,539 1.097,540 1.303,541 0.644,542 1.485,543 0.473,544 0.615,545 0.572,546 0.775,547 0.615,548 0.952,549 6.5,550 0.099,551 3.556,552 1.819,553 1.402,554 1.077,555 0.473,556 0.312,557 0.328,558 0.211,559 4272,560 19325,561 1.883,562 37.1,564 13,572 1.645,573 1.682,574 3.13,575 -0.583,577 1,579 1,582 70.559,583 2.016,584 3.664,585 4.014,586 4.129,587 4.129,588 4.129,589 2.534,590 3.789,591 4.429,592 3.313,593 765.19,594 7.61,595 8394.06,596 1,597 1,598 1,599 1,600 179.525,601 1.78,602 4.322,603 0.283,604 0.009,605 0.105,606 0.054,607 0.045,608 0.043,609 0.023,610 0.016,611 0.022,612 0.019,613 0.617,614 0.33,615 1,616 1.323,617 100.91,618 -0.026,619 -0.163,620 0.047,621 -0.069,622 -0.097,623 -0.064,624 0.449,625 0.331,626 0.153,627 0.126,628 0.437,629 0.239,630 0.005,631 -0.308,632 0.062,633 -0.273,634 0.041,635 -0.221,636 -0.319,637 -0.074,638 -0.028,639 0.174,640 -0.212,641 0.185,642 -0.323,643 0.055,644 -0.216,645 0.172,646 -0.209,647 -0.032,648 -0.213,649 -0.073,650 -0.668,651 -0.343,652 -0.086,653 -0.383,654 0.243,655 0.174,656 -0.247,657 -0.333,658 0.121,659 -0.522,660 0.245,661 0.01,662 0.361,663 0.064,664 0.069,665 0.191,666 5.642,667 4.979,668 0.5,669 18.479,670 1.047,671 1.161,672 3.871,673 14.987,674 0.672,675 3.178,676 3.555,677 3.761,678 3.932,679 4.094,680 4.234,681 4.277,682 4.174,683 4.344,684 4.394,685 5.504,686 0.666,687 330.37,688 3.178,689 4.745,690 5.587,691 6.482,692 7.349,693 8.245,694 9.121,695 10.016,696 10.896,697 11.791,698 11.4,705 1,706 1,708 2,715 4,716 2,720 4,721 1,722 11,741 35,743 12,744 1,745 23,747 36,748 13,749 8,750 2,751 4,752 1,756 2,757 2,761 1,763 1,769 1,772 9,773 4,777 1,782 1,786 1,789 1,790 1,791 3,793 13,794 7,796 9,797 1,802 4,808 1,809 1,828 1,829 1,859 2,860 1,862 1,864 3,866 3,868 22,879 1,881 1,882 1,890 1,892 3,893 2.9,896 1,901 13.083,902 7.395,903 4.778,904 1.778,907 2.115,908 1.326,909 0.943,910 4.712,911 8.598,912 3.418,913 4.021,914 4.586,915 5.109,916 5.552,917 5.917,918 6.259,919 6.479,920 6.906,921 7.145,922 0.833,923 34,924 8.518,926 3.983,927 0.026,929 8.519,931 14.463,933 11.213,936 3.019,937 66.417,941 153.024,942 115.535,943 38.349,945 25.145,946 44.88,947 32.22,948 83.316,949 178.169,950 83.23,951 23.983,952 3.124,953 37.905,954 58.593,955 56.049,956 4.276,957 185.244,958 7.76,959 153.024,960 121.665,961 70.025,962 32.22,964 155.352,965 70.025,968 13.353,969 72.535,970 33.449,971 32.22,972 197.905,973 63.494,974 115.535,977 160.784,978 45.888,979 66.789,981 103.474,982 153.024,983 108.375,984 115.535,986 0.602,987 0.343,988 0.16,989 0.085,990 16,991 9,992 0.056,993 2,995 1,996 3.215,997 166.673,999 11,1000 87.353,1001 1,1005 16.691,1006 6.21,1007 3.578,1009 106.598,1010 4.491,1011 8.257,1015 0.237,1016 1.123,1018 376.934,1019 29.5,1024 11.979,1028 -0.38,1031 36.651,1032 40.633,1034 0.393,1035 0.714,1036 0.783,1037 0.805,1038 0.805,1039 0.805,1040 4.689,1041 1,1042 5.659,1043 3.47,1044 4.234,1045 4.705,1046 3.77,1047 6.544,1048 4.059,1049 5.943,1050 0.496,1051 7.291,1052 2.275,1053 4.205,1054 4.705,1055 3.956,1056 7.811,1057 3.855,1058 7.288,1059 0.318,1060 9.032,1061 1.194,1062 5.974,1063 6.91,1064 5.961,1065 10.793,1066 5.616,1067 8.67,1068 -0.451,1069 10.833,1070 0.464,1071 6.686,1072 7.661,1073 6.702,1074 12.793,1075 6.15,1076 10.08,1077 -1,1078 12.672,1079 -1.119,1080 8.045,1081 9.411,1082 8.412,1083 15.387,1084 7.476,1085 11.511,1086 -1,1087 14.534,1088 -2,1089 9.034,1090 10.491,1091 9.391,1092 17.648,1093 8.306,1094 12.955,1095 -1,1096 16.414,1097 -2.424,1098 10.264,1099 12.055,1100 10.959,1101 20.126,1102 9.471,1103 3.316,1104 -1,1105 18.307,1106 -3,1107 11.363,1108 13.295,1109 12.075,1110 22.488,1111 10.427,1112 3.141,1113 11.659,1114 20.209,1115 -3,1116 12.551,1117 14.776,1118 13.555,1119 24.93,1120 11.529,1121 2.7,1122 10.558,1123 22.119,1124 4.188,1125 13.694,1126 16.098,1127 14.758,1128 27.333,1129 12.541,1130 2.28,1131 8.761,1132 24.035,1133 3.814,1134 14.871,1135 17.542,1136 16.184,1137 29.768,1138 13.618,1139 1.775,1140 6.625,1141 25.955,1142 3.335,1143 16.034,1144 18.907,1145 17.441,1146 32.189,1147 14.657,1148 1.402,1149 5.044,1150 27.881,1151 2.793,1152 17.21,1153 20.334,1154 18.834,1155 34.624,1156 15.726,1157 1.18,1158 3.737,1159 29.809,1160 2.267,1161 18.382,1162 21.723,1163 20.124,1164 37.055,1165 16.778,1166 4491,1167 9699,1168 13.929,1169 23.506,1170 36.085,1171 38.462,1172 36.992,1173 35.4,1174 35.216,1175 44.504,1176 17.96,1177 107.574,1178 32.046,1179 5.285,1180 6.46,1181 6.635,1182 5.215,1183 5.316,1184 7.188,1185 6.775,1186 18.667,1187 4.958,1188 15.452,1189 1.569,1190 1.672,1191 1.608,1192 1.539,1193 1.531,1194 1.935,1195 0.781,1196 4.677,1197 1.393,1198 4.016,1199 4.058,1200 4.082,1201 3.904,1202 8.513,1203 3.911,1204 3.812,1205 3.856,1206 3.852,1207 3.62,1208 7.999,1209 3.635,1210 3.521,1211 3.601,1212 3.531,1213 3.283,1214 7.999,1215 3.291,1216 3.296,1217 3.342,1218 3.41,1219 3.125,1220 7.429,1221 3.088,1222 3.141,1223 3.227,1224 3.176,1225 2.898,1226 5.015,1227 2.9,1228 2.874,1229 3.009,1230 2.764,1231 2.735,1232 4.602,1233 2.715,1234 2.856,1235 2.925,1236 2.687,1237 2.618,1238 4.203,1239 2.586,1240 2.854,1241 2.883,1242 2.499,1243 2.524,1244 3.889,1245 2.57,1246 0.196,1247 0.194,1248 0.309,1249 0.182,1250 0.144,1251 4.512,1252 0.182,1253 4.46,1254 0.166,1255 7.111,1256 0.507,1257 4.18,1258 0.129,1259 3.316,1260 4.188,1261 3.825,1262 11.659,1263 2.958,1264 1.915,1265 1.892,1266 2.004,1267 2.006,1268 1.114,1269 2.003,1270 1.591,1271 1.529,1272 1.798,1273 1.89,1274 0.855,1275 1.857,1276 1.356,1277 1.306,1278 1.539,1279 1.561,1280 0.707,1281 1.589,1282 1.251,1283 1.203,1284 1.417,1285 1.526,1286 0.469,1287 1.461,1288 1.06,1289 0.972,1290 1.299,1291 1.363,1292 0.367,1293 1.364,1294 0.934,1295 0.821,1296 1.246,1297 1.239,1298 0.299,1299 1.308,1300 0.886,1301 0.804,1302 1.181,1303 1.194,1304 0.218,1305 1.115,1306 0.829,1307 0.77,1308 0.878,1309 1.062,1311 1.107,1312 3.85,1314 5.209,1315 2.398,1316 6.746,1317 4.727,1318 8.356,1319 6.843,1320 10.003,1322 4.887,1324 37.652,1331 1.226,1333 1.338,1334 -4.392,1340 23.298,1341 70.559,1342 128.241,1343 140.505,1344 144.505,1345 144.505,1346 144.505,1347 56.733,1348 6.483,1349 51.02,1350 76.32,1351 11,1352 12.32,1353 3.7,1354 2.907,1355 42.261,1356 72,1357 60,1358 0.298,1359 149.019,1360 260.61,1361 355.365,1362 4333,1363 8.6,1364 16.491,1365 0.75,1366 0.585,1367 14.345,1368 12.865,1369 10.235,1370 0.445,1371 0.32,1372 6.07,1373 9.086,1374 5.746,1375 4.815,1376 9.582,1377 7.366,1378 10.145,1379 0.298,1380 0.158,1381 8.653,1382 5.359,1383 7.7,1384 0.183,1385 0.082,1386 7.261,1387 3.424,1388 5.651,1389 0.113,1390 0.043,1391 5.449,1392 2.144,1393 4.219,1394 0.072,1395 0.024,1396 4.438,1397 1.434,1398 0.46,1399 71.915,1400 0.268,1401 21.513,1402 0.838,1403 114,1404 577.51,1405 162.167,1406 493.181,1407 632.94,1408 454,1409 133,1410 427.151,1411 171.687,1412 424.468,1413 639.37,1414 391,1415 6.301}
{0 CHEMBL337999,1 1.477,2 17.314,3 5.532,4 30.607,5 134.727,6 7.302,7 0.474,8 4.26,9 4.366,10 3.807,11 3.785,12 5.358,13 3.769,14 4.799,15 4.964,16 4.138,17 4.151,18 5.894,19 4.115,20 5.04,21 5.229,22 4.204,23 4.281,24 6.077,25 4.223,26 5.111,27 5.329,28 4.135,29 4.245,30 6.18,31 4.169,32 5.023,33 5.24,34 3.995,35 4.216,36 6.008,37 4.114,38 5.029,39 5.271,40 3.901,41 4.186,42 5.935,43 4.051,44 4.999,45 5.25,46 3.757,47 4.094,48 5.846,49 3.947,50 4.906,51 5.158,52 3.679,53 3.972,54 5.758,55 3.839,56 0.027,57 0.872,58 13.457,59 6.264,60 7.517,61 7.875,62 0.409,63 1.401,64 25.878,65 10.027,66 36.693,67 13.084,68 0.345,69 1.665,70 34.389,71 13.274,72 44.192,73 17.131,74 0.717,75 1.728,76 39.004,77 13.624,78 81.429,79 18.086,80 0.483,81 1.643,82 34.752,83 12.856,84 59.238,85 17.226,86 0.473,87 1.645,88 35.324,89 13.408,90 55.996,91 18.646,92 0.484,93 1.555,94 35.116,95 12.859,96 54.863,97 17.715,98 0.429,99 1.395,100 32.369,101 11.393,102 50.715,103 15.671,104 20,105 51,106 0.234,107 0.536,108 0.734,109 0.87,110 0.903,111 0.903,112 3.587,113 0.931,114 -4.14,115 -4.09,116 -3.87,121 43.1,123 3,126 2,127 3,144 11,145 3,146 4,159 1,161 1,176 12,179 1,180 13,183 2,187 13,192 12,200 7,205 2,206 13,211 2,214 9,218 1,219 4,224 2,227 12,231 2,232 4,237 1,239 12,243 1,244 4,247 1,251 7,256 7,264 5,269 6,274 1,277 5,281 2360,282 23.869,283 23.869,284 23.869,285 23.869,286 23.869,287 21.487,288 28.551,289 14.437,290 24.391,291 18.743,292 18.743,293 18.743,294 18.743,295 18.743,296 14.999,297 35.777,298 6.87,299 19.52,300 4.545,301 2.645,302 1.394,303 0.539,304 0.331,305 0.331,306 4.286,312 1,313 1310,314 4.359,318 422.024,322 318.529,325 2.534,326 33.747,329 1,330 0.67,331 0.83,332 1,333 0.5,334 0.83,335 0.5,336 0.76,337 76,338 606,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 2.186,346 11.061,347 3.18,348 4.105,349 3.66,350 6.011,351 3.723,352 2.761,353 3.688,354 0.916,355 8.529,356 2.661,357 4.048,358 2.995,359 5.681,360 3.613,361 2.642,362 3.676,363 0.86,364 7.996,365 2.563,366 3.672,367 2.984,368 5.407,369 3.38,370 2.451,371 2.964,372 0.86,373 6.913,374 2.261,375 3.617,376 2.82,377 5.29,378 3.232,379 2.271,380 2.886,381 0.366,382 6.815,383 2.172,384 3.378,385 2.632,386 5.124,387 3.122,388 2.166,389 2.515,390 0.172,391 6.04,392 2.052,393 3.309,394 2.495,395 4.862,396 2.953,397 2.014,398 2.504,400 5.594,401 1.868,402 3.088,403 2.171,404 4.585,405 2.792,406 1.814,407 2.174,409 4.814,410 1.765,411 2.905,412 1.799,413 4.125,414 2.615,415 1.645,416 2.081,418 3.46,419 1.588,420 2.724,421 1.638,422 3.772,423 2.429,424 1.438,425 1.812,427 3.383,428 1.421,429 2.705,430 1.376,431 3.707,432 2.244,433 1.258,434 1.752,436 3.073,437 1.236,438 2.644,439 1.324,440 3.499,441 2.188,442 1.197,443 1.681,445 2.623,446 1.184,447 2.428,448 1.297,449 3.488,450 2.014,451 1.058,452 1.305,454 2.296,455 1.003,456 2.09,457 1.237,458 3.269,459 1.854,460 0.83,461 1.054,463 1.957,464 0.844,465 1.507,466 1.101,467 2.911,468 1.299,469 0.384,470 0.409,472 0.75,473 0.347,474 16.467,475 0.47,476 0.729,477 0.021,478 44.75,479 1.279,480 22.5,481 0.643,482 22.25,483 0.636,484 29.571,485 0.845,486 38.133,487 0.587,488 35.398,489 1.011,490 9.029,491 0.258,492 8.001,493 0.229,494 0.101,496 0.298,501 0.774,502 1.306,503 0.791,504 1.159,505 0.583,506 1.004,507 0.875,508 0.951,509 0.891,510 0.96,511 0.55,512 0.919,513 1.144,514 1.079,515 0.954,516 1.068,517 0.827,518 0.995,519 1.156,520 0.927,521 0.968,522 0.902,523 1.099,524 0.902,525 1.046,526 1.005,527 1.081,528 1.013,529 1.122,530 1.047,531 0.658,532 1.038,533 0.981,534 1.078,535 0.606,536 1.086,537 0.877,538 0.971,539 1.057,540 1.045,541 0.745,542 1.082,543 1.049,544 1.007,545 1.028,546 0.983,547 0.803,548 1.004,549 6.5,550 0.157,551 2.889,552 2.375,553 1.853,554 0.868,555 0.604,556 0.33,557 0.254,558 0.142,559 22948,560 62089,561 2.075,562 46.2,563 2,564 23,567 1,569 4,572 1.757,573 1.963,574 4.034,575 -0.401,582 96.032,583 1.477,584 3.377,585 4.629,586 5.484,587 5.691,588 5.691,589 3.486,590 4.901,591 5.106,592 4.242,593 2523.98,594 8.899,595 44764.3,600 391.454,601 1.316,602 5.07,603 0.171,604 0.006,605 0.057,606 0.045,607 0.039,608 0.021,609 0.016,610 0.011,611 0.009,612 0.005,613 0.379,614 0.33,615 0.75,616 0.944,617 197.565,618 -0.02,619 -0.147,620 0.058,621 -0.08,622 -0.028,623 -0.01,624 0.09,625 0.154,626 0.044,627 0.044,628 0.121,629 0.044,630 -0.082,631 -0.083,632 0.016,633 -0.059,634 0.017,635 -0.012,636 0.007,637 0.039,638 0.048,639 0.069,640 0.051,641 0.067,642 -0.096,643 -0.008,644 -0.107,645 -0.025,646 -0.103,647 -0.062,648 0.085,649 -0.067,650 -0.02,651 -0.083,652 0.044,653 -0.072,654 -0.017,655 -0.024,656 -0.069,657 -0.066,658 -0.048,659 -0.078,660 -0.089,661 -0.074,662 -0.02,663 -0.013,664 -0.047,665 -0.009,666 2.139,667 5.646,668 0.571,669 44.269,670 1.003,671 1.121,672 2.913,673 8.487,674 0.661,675 3.664,676 3.951,677 4.19,678 4.443,679 4.673,680 4.745,681 4.836,682 4.949,683 4.984,684 4.883,685 10.075,686 0.631,687 474.6,688 3.664,689 5.187,690 6.019,691 6.88,692 7.731,693 8.603,694 9.463,695 10.342,696 11.21,697 12.094,698 3.1,701 1,705 1,715 11,720 7,722 18,727 1,737 1,739 2,741 65,743 20,744 3,745 38,747 68,748 28,749 18,750 7,751 11,752 1,756 4,757 7,770 3,772 20,773 8,777 2,782 2,786 2,793 30,794 7,795 1,796 7,802 2,808 0.5,809 5,829 4,833 2,855 1,859 2,864 2,868 35,876 6,877 1,878 3,881 1,893 7.7,896 2,898 3,901 17.833,902 12.2,903 7.861,904 3.962,907 3.466,908 1.426,909 0.966,910 8.535,911 11.601,912 3.912,913 4.449,914 4.972,915 5.519,916 6.044,917 6.256,918 6.582,919 6.933,920 7.196,921 7.354,922 1,923 53,924 12.961,926 5.411,927 0.026,929 7.757,931 24.762,933 19.86,936 2.257,937 79,941 341.362,942 179.865,943 21.135,945 83.29,948 179.865,949 424.651,950 21.135,951 16.793,952 34.418,953 104.239,954 55.423,955 66.654,956 6.763,957 341.362,959 341.362,960 201,961 83.29,964 294.278,965 130.374,968 37.542,969 163.458,972 341.362,973 104.425,974 179.865,977 341.362,978 58.834,979 124.156,980 18.011,981 83.29,982 341.362,983 104.425,984 179.865,986 0.569,987 0.325,988 0.175,989 0.097,990 22,991 10,992 0.162,993 11,994 2,995 1.2,996 4.804,997 303.889,998 0.2,999 20,1000 179.525,1005 24.927,1006 11.983,1007 6.697,1009 104.425,1010 20.218,1015 4.594,1017 18.011,1018 625.652,1019 49,1024 24.027,1028 -0.498,1031 65.211,1032 72.856,1034 0.245,1035 0.561,1036 0.769,1037 0.911,1038 0.945,1039 0.945,1040 5.133,1041 1.814,1042 5.979,1043 5.594,1044 4.635,1045 5.136,1046 2.639,1047 6.746,1048 4.561,1049 6.308,1050 1.645,1051 7.506,1052 4.814,1053 4.111,1054 4.832,1055 1.847,1056 7.551,1057 4.007,1058 7.591,1059 1.438,1060 9.133,1061 3.46,1062 6.18,1063 7.244,1064 3.582,1065 10.665,1066 6.043,1067 8.908,1068 1.258,1069 10.822,1070 3.383,1071 6.479,1072 7.753,1073 3.603,1074 12.333,1075 6.327,1076 10.258,1077 1.197,1078 12.552,1079 3.073,1080 7.997,1081 9.646,1082 4.922,1083 14.974,1084 7.821,1085 11.632,1086 1.058,1087 14.313,1088 2.623,1089 8.71,1090 10.56,1091 5.291,1092 17.035,1093 8.533,1094 13.026,1095 0.83,1096 16.096,1097 2.296,1098 9.995,1099 12.218,1100 6.39,1101 19.515,1102 9.801,1103 3.215,1104 0.384,1105 17.899,1106 1.957,1107 10.925,1108 13.35,1109 6.93,1110 21.76,1111 10.733,1112 2.761,1113 11.061,1114 19.718,1115 0.75,1116 12.114,1117 14.889,1118 7.902,1119 24.185,1120 11.912,1121 2.642,1122 8.529,1123 21.549,1124 4.198,1125 13.154,1126 16.144,1127 8.539,1128 26.514,1129 12.954,1130 2.451,1131 7.996,1132 23.393,1133 3.688,1134 14.309,1135 17.621,1136 9.436,1137 28.922,1138 14.103,1139 2.271,1140 6.913,1141 25.245,1142 3.676,1143 15.406,1144 18.946,1145 10.13,1146 31.289,1147 15.199,1148 2.166,1149 6.815,1150 27.107,1151 2.964,1152 16.553,1153 20.392,1154 10.981,1155 33.692,1156 16.341,1157 2.014,1158 6.04,1159 28.975,1160 2.886,1161 17.679,1162 21.757,1163 11.71,1164 36.077,1165 17.463,1166 21721,1167 35912,1168 25.542,1169 42.943,1170 55.38,1171 57.922,1172 57.131,1173 54.959,1174 54.946,1175 70.102,1176 10.723,1177 151.725,1178 52.906,1179 5.505,1180 5.692,1181 6.599,1182 5.3,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.18,1188 16.845,1189 1.457,1190 1.524,1191 1.503,1192 1.446,1193 1.446,1194 1.845,1195 0.282,1196 3.993,1197 1.392,1198 4.049,1199 4.057,1200 4.014,1201 3.965,1202 7.435,1203 3.975,1204 3.94,1205 3.969,1206 3.878,1207 3.857,1208 7.427,1209 3.857,1210 3.787,1211 3.82,1212 3.717,1213 3.712,1214 4.947,1215 3.709,1216 3.717,1217 3.769,1218 3.581,1219 3.585,1220 4.814,1221 3.572,1222 3.547,1223 3.608,1224 3.454,1225 3.299,1226 4.708,1227 3.312,1228 3.477,1229 3.553,1230 3.338,1231 3.202,1232 4.38,1233 3.241,1234 3.252,1235 3.29,1236 3.168,1237 3.078,1238 4.322,1239 3.095,1240 3.121,1241 3.169,1242 2.959,1243 2.955,1244 4.227,1245 2.942,1246 0.12,1247 0.097,1248 0.178,1249 0.111,1250 0.085,1251 4.553,1252 0.11,1253 3.692,1254 0.058,1255 6.774,1256 0.291,1257 4.203,1258 0.084,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.06,1267 2.084,1268 1.343,1269 2.074,1270 1.911,1271 1.885,1272 2.039,1273 2.026,1274 1.173,1275 2.031,1276 1.78,1277 1.754,1278 1.971,1279 1.919,1280 1.159,1281 1.936,1282 1.72,1283 1.662,1284 1.88,1285 1.847,1286 0.989,1287 1.859,1288 1.475,1289 1.403,1290 1.742,1291 1.748,1292 0.946,1293 1.738,1294 1.396,1295 1.322,1296 1.689,1297 1.688,1298 0.721,1299 1.7,1300 1.204,1301 1.159,1302 1.528,1303 1.444,1304 0.68,1305 1.47,1306 1.101,1307 1.054,1308 1.353,1309 1.29,1310 0.497,1311 1.282,1312 4.344,1314 5.638,1316 7.128,1318 8.718,1320 10.367,1322 3.614,1328 5.354,1329 2.446,1330 16.999,1333 2.246,1340 40.992,1341 96.032,1342 219.533,1343 300.871,1344 356.434,1345 369.944,1346 369.944,1347 68.517,1348 8.136,1349 81.01,1350 81.01,1351 24,1352 12.631,1353 4.392,1354 3.585,1355 60.315,1356 220,1357 194,1358 0.13,1359 251.151,1360 447.73,1361 604.568,1362 50958,1364 24.623,1365 0.704,1366 0.574,1367 24.623,1368 20.082,1369 17.029,1370 0.448,1371 0.31,1372 11.609,1373 16.325,1374 11.31,1375 9.436,1376 17.029,1377 11.788,1378 14.886,1379 0.292,1380 0.167,1381 14.886,1382 8.519,1383 12.193,1384 0.188,1385 0.089,1386 12.193,1387 5.768,1388 10.07,1389 0.12,1390 0.047,1391 10.07,1392 3.978,1393 8.06,1394 0.076,1395 0.025,1396 8.06,1397 2.683,1398 0.219,1399 107.126,1400 0.198,1401 33.573,1402 0.321,1403 178,1404 554.656,1405 197.743,1406 522.499,1407 709.23,1408 490,1409 205,1410 517.442,1411 224.112,1412 519.09,1413 758.47,1414 487,1415 9.086}
{0 CHEMBL338492,1 1.406,2 5.867,3 0.796,4 0.633,5 58.738,6 6.312,7 0.4,8 3.543,9 3.677,10 2.954,11 2.981,12 4.591,13 2.94,14 4.092,15 4.321,16 3.312,17 3.338,18 5.12,19 3.292,20 4.278,21 4.449,22 3.291,23 3.562,24 5.297,25 3.457,26 4.496,27 4.78,28 3.241,29 3.61,30 5.318,31 3.445,32 4.406,33 4.653,34 3.039,35 3.486,36 5.34,37 3.302,38 4.4,39 4.73,40 2.596,41 3.133,42 5.141,43 2.911,44 3.647,45 3.915,46 2.482,47 2.707,48 4.741,49 2.583,50 3.653,51 3.861,52 1.473,53 2.503,54 4.89,55 2.26,56 0.019,57 0.436,58 7.935,59 2.998,60 5.449,61 4.331,62 0.245,63 0.66,64 14.149,65 4.419,66 22.627,67 6.691,68 0.174,69 0.8,70 16.916,71 6.233,72 24.756,73 8.757,74 0.211,75 0.896,76 20.4,77 7.377,78 24.48,79 10.98,80 0.119,81 0.798,82 18.746,83 6.854,84 28.216,85 9.961,86 0.399,87 0.614,88 19.125,89 5.382,90 36.816,91 8.198,92 0.072,93 0.358,94 8.76,95 2.873,96 14.453,97 4.278,98 0.214,99 0.301,100 9.3,101 2.639,102 44.426,103 3.7,104 42,105 22,106 0.27,107 0.533,108 0.657,109 0.719,110 0.719,111 0.719,112 2.794,113 1.02,114 -0.2,115 -0.35,116 -0.52,121 36.4,122 2,126 3,144 3,145 1,146 2,160 1,176 3,179 1,180 4,187 4,189 2,192 1,200 3,203 2,206 3,208 1,214 2,216 1,219 2,227 1,232 1,234 1,239 1,241 1,244 1,251 1,281 203,282 8.972,283 8.972,284 8.972,285 8.972,286 8.972,287 8.027,288 12.506,289 5.153,290 9.195,291 7.395,292 7.395,293 7.395,294 7.395,295 7.395,296 5.966,297 16.878,298 2.453,299 7.778,300 3.639,301 2.269,302 1.623,303 1.297,304 1.297,305 1.297,306 3.397,311 1,312 1,313 167,314 3.391,318 51.619,325 0.96,326 11.379,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 32.5,338 88,339 4.547,340 3.71,341 7.24,342 4.306,343 3.377,344 4.049,345 2.443,346 12.181,347 3.145,348 3.863,349 3.641,350 5.568,351 3.524,352 2.586,353 3.139,354 1.2,355 7.502,356 2.414,357 3.524,358 2.715,359 5.237,360 3.189,361 2.217,362 2.715,363 0.286,364 6.332,365 2.135,366 3.224,367 2.349,368 4.403,369 2.812,370 1.807,371 2.408,373 4.479,374 1.796,375 2.583,376 1.231,377 4.03,378 2.14,379 1.154,380 1.616,382 3.135,383 1.137,384 1.455,385 0.893,386 2.895,387 1.14,388 0.183,389 0.218,391 0.43,392 0.173,393 0.807,394 0.368,395 2.656,396 0.443,397 -0.504,398 -0.58,400 -1.337,401 -0.472,402 0.603,403 -0.078,404 2.172,405 0.139,406 -0.851,407 -1,409 -2,410 -0.836,411 0.337,412 -0.6,413 2,414 0.09,415 -1,416 -1,418 -2.621,419 -0.9,421 -0.6,422 2,423 -0.1,424 -1,425 -1.14,427 -3,428 -0.9,430 -0.703,431 1.775,432 -0.1,433 -1,434 -1.359,435 -0.4,436 -3,437 -1.092,438 -0.095,439 -0.863,440 1.276,441 -0.371,442 -1.345,443 -1.713,444 -0.4,445 -3.426,446 -1.283,447 -0.5,448 -1.392,449 1.059,450 -0.813,451 -1.734,452 -2.054,453 -0.4,454 -5.171,455 -1.597,456 -0.606,457 -1.592,458 1,459 -1,460 -1.89,461 -2.299,462 -0.998,463 -6.092,464 -1.721,465 -0.741,466 -2,467 0.69,468 -1,469 -2,470 -3,471 -1.731,472 -7.412,473 -2,474 7.067,475 0.471,476 0.696,477 0.046,478 17.25,479 1.15,480 8,481 0.533,482 9.25,483 0.617,484 11.408,485 0.761,486 17.833,487 0.54,488 11.886,489 0.792,490 3.665,491 0.244,492 3.139,493 0.209,494 0.401,495 0.057,496 0.283,501 0.786,502 1.731,503 0.951,504 1.438,505 0.653,506 1.246,507 0.875,508 0.73,509 0.735,510 0.647,511 0.366,512 0.633,513 1.352,514 1.386,515 1.374,516 1.359,517 1.161,518 1.376,519 0.488,520 0.92,521 0.827,522 0.956,523 0.403,524 0.94,525 0.764,526 1.41,527 1.162,528 1.475,529 0.849,530 1.396,531 1.407,532 0.533,533 0.896,534 0.542,535 0.904,536 0.641,537 0.876,538 1.017,539 0.879,540 1.064,541 1.115,542 0.971,543 2.77,544 1.318,545 2.178,546 1.462,547 4.997,548 1.724,549 5.5,551 2,552 1.563,553 0.911,554 0.528,555 0.407,559 1245,560 3027,561 1.769,562 54.5,563 3,564 12,568 3,572 1.535,573 1.565,574 2.6,575 -0.781,577 1,579 1,582 46.387,583 1.406,584 2.776,585 3.422,586 3.748,587 3.748,588 3.748,589 1.889,590 2.974,591 3.878,592 2.715,593 285.03,594 6.521,595 2373.52,597 1,600 166.465,601 1.806,602 3.74,603 0.367,605 0.091,606 0.078,607 0.048,608 0.041,609 0.051,613 0.675,614 1,615 1,616 1.437,617 57.934,618 0.019,619 -0.418,620 0.05,621 -0.227,622 -0.085,623 -0.108,624 0.157,625 0.424,626 0.289,627 0.346,628 0.291,629 0.355,630 -0.23,631 -0.232,632 -0.363,633 -0.233,634 -0.221,635 -0.312,636 0.097,637 0.069,638 0.087,639 0.036,640 0.088,641 0.058,642 -0.005,643 -0.417,644 -0.231,645 -0.443,646 -0.04,647 -0.381,648 -0.08,649 0.206,650 0.097,651 0.259,652 -0.059,653 0.205,654 0.029,655 -0.043,656 0.085,657 -0.109,658 0.282,659 -0.007,660 -0.655,661 -0.448,662 -1.076,663 -0.556,664 -1.004,665 -0.851,666 1.953,667 3.832,668 0.4,669 8.702,670 0.993,671 1.135,672 -1.025,673 1.051,674 0.618,675 2.773,676 3.135,677 3.178,678 3.367,679 3.434,680 3.296,681 3.332,682 2.565,683 1.946,685 3.894,686 0.574,687 208.31,688 2.773,689 4.317,690 5.106,691 5.999,692 6.819,693 7.71,694 8.545,695 9.432,696 10.276,697 11.16,698 3,712 1,715 3,720 3,722 6,741 33,743 7,744 1,745 15,747 33,748 12,749 6,750 3,751 3,756 1,757 1,763 2,772 7,773 5,777 1,782 1,786 1,790 1,793 18,794 2,796 3,802 1,803 1,807 1,808 1,809 2,829 1,846 1,859 1,864 5,868 15,878 1,883 1,893 6.1,896 1,898 1,901 9.583,902 7.583,903 3.194,904 1.944,907 1.326,908 1.249,909 0.865,910 3.275,911 6.649,912 2.996,913 3.57,914 3.937,915 4.447,916 4.892,917 4.888,918 5.078,919 4.602,920 3.841,922 0.75,923 20,924 5.51,925 -0.001,926 2.135,927 0.026,929 7.811,931 10.484,933 7.872,934 -0.001,936 2.311,937 34.667,938 0.004,941 211.88,942 89.645,945 36.145,948 89.645,949 248.025,951 42.84,953 28.429,954 32.336,955 22.186,957 211.88,959 211.88,960 89.645,961 36.145,964 211.88,965 36.145,968 17.65,969 71.995,972 211.88,973 36.145,974 89.645,977 211.88,978 18.377,979 71.268,981 36.145,982 211.88,983 36.145,984 89.645,986 0.602,987 0.297,988 0.151,989 0.079,990 10,991 6,992 0.091,993 3,995 1,996 2.503,997 91.037,999 6,1000 53.848,1005 11.891,1006 4.131,1007 3.151,1009 36.145,1010 5.698,1015 2.948,1018 337.67,1019 19,1024 10.832,1028 -0.286,1031 32.767,1032 37.446,1034 0.279,1035 0.55,1036 0.678,1037 0.743,1038 0.743,1039 0.743,1040 4.256,1041 -0.851,1042 5.209,1043 -1.337,1044 3.807,1045 4.248,1046 2.562,1047 6.08,1048 3.707,1049 5.522,1050 -1,1051 6.832,1052 -2,1053 3.892,1054 4.35,1055 2.394,1056 7.445,1057 3.7,1058 6.87,1059 -1,1060 8.574,1061 -2.621,1062 5.549,1063 6.404,1064 3.886,1065 10.397,1066 5.313,1067 8.247,1068 -1,1069 10.385,1070 -3,1071 6.312,1072 7.144,1073 4.303,1074 12.501,1075 5.97,1076 9.649,1077 -1.345,1078 12.242,1079 -3,1080 7.643,1081 8.849,1082 5.499,1083 15.139,1084 7.253,1085 11.069,1086 -1.734,1087 14.13,1088 -3.426,1089 8.672,1090 9.888,1091 6.166,1092 17.502,1093 8.183,1094 12.505,1095 -1.89,1096 16.041,1097 -5.171,1098 9.91,1099 11.446,1100 7.211,1101 20.048,1102 9.364,1103 3.377,1104 -2,1105 17.97,1106 -6.092,1107 11.048,1108 12.646,1109 7.994,1110 22.501,1111 10.413,1112 2.586,1113 12.181,1114 19.911,1115 -7.412,1116 12.261,1117 14.131,1118 8.964,1119 25.016,1120 11.563,1121 2.217,1122 7.502,1123 21.862,1124 4.049,1125 13.444,1126 15.419,1127 9.802,1128 27.499,1129 12.665,1130 1.807,1131 6.332,1132 23.82,1133 3.139,1134 14.653,1135 16.864,1136 10.734,1137 30.005,1138 13.807,1139 1.154,1140 4.479,1141 25.784,1142 2.715,1143 15.854,1144 18.202,1145 11.6,1146 32.498,1147 14.932,1148 0.183,1149 3.135,1150 27.751,1151 2.408,1152 17.065,1153 19.626,1154 12.512,1155 35,1156 16.073,1157 -0.504,1158 0.43,1159 29.722,1160 1.616,1161 18.274,1162 20.991,1163 13.391,1164 37.498,1165 17.209,1166 1437,1167 2332,1168 8.553,1169 20.387,1170 23.19,1171 23.416,1172 23.623,1173 22.702,1174 22.648,1175 28.29,1176 7.858,1177 68.118,1178 21.601,1179 5.288,1180 5.71,1181 6.55,1182 5.306,1183 5.377,1184 7.049,1185 4.174,1186 19.593,1187 5.145,1188 10.451,1189 1.546,1190 1.561,1191 1.575,1192 1.513,1193 1.51,1194 1.886,1195 0.524,1196 4.541,1197 1.44,1198 4.002,1199 4.044,1200 3.942,1201 3.896,1202 7.434,1203 3.902,1204 3.629,1205 3.694,1206 3.513,1207 3.395,1208 4.817,1209 3.409,1210 3.485,1211 3.52,1212 3.365,1213 3.255,1214 4.364,1215 3.276,1216 3.146,1217 3.228,1218 2.952,1219 2.986,1220 4.16,1221 2.967,1222 2.874,1223 3.009,1224 2.591,1225 2.641,1226 3.745,1227 2.62,1228 2.874,1229 3.009,1230 2.499,1231 2.618,1232 3.554,1233 2.57,1234 2.768,1235 2.841,1236 2.499,1237 2.618,1238 3.467,1239 2.57,1240 2.57,1241 2.631,1242 2.303,1243 2.258,1244 3.467,1245 2.255,1246 0.303,1247 0.247,1248 0.483,1249 0.287,1250 0.225,1251 4.547,1252 0.27,1253 3.71,1254 0.163,1255 7.24,1256 0.812,1257 4.306,1258 0.21,1259 3.377,1260 4.049,1261 2.443,1262 12.181,1263 3.145,1264 1.952,1265 1.921,1266 2.076,1267 2.098,1268 1.264,1269 2.095,1270 1.579,1271 1.5,1272 1.835,1273 1.818,1274 0.948,1275 1.824,1276 1.412,1277 1.369,1278 1.689,1279 1.67,1280 0.698,1281 1.672,1282 1.171,1283 1.093,1284 1.511,1285 1.391,1286 0.579,1287 1.436,1288 0.934,1289 0.804,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.934,1295 0.804,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.797,1301 0.73,1302 1.092,1303 0.987,1304 0.161,1305 1.025,1306 0.48,1307 0.419,1308 0.75,1309 0.851,1311 0.817,1312 3.434,1314 4.779,1316 6.293,1318 7.893,1320 9.542,1322 9.71,1330 5.056,1335 0.709,1340 18.929,1341 46.387,1342 91.597,1343 112.916,1344 123.671,1345 123.671,1346 123.671,1347 25.128,1348 5.323,1349 26.3,1350 26.3,1351 6,1352 11.701,1353 3,1354 2.322,1355 30.975,1356 35,1357 31,1358 0.479,1359 123.026,1360 212.24,1361 291.944,1362 885,1364 11.638,1365 0.776,1366 0.67,1367 11.638,1368 10.049,1369 6.804,1370 0.454,1371 0.34,1372 5,1373 6.453,1374 4.648,1375 4.023,1376 6.804,1377 5.1,1378 7.258,1379 0.33,1380 0.219,1381 7.258,1382 4.82,1383 4.222,1384 0.184,1385 0.099,1386 4.222,1387 2.279,1388 3.497,1389 0.125,1390 0.059,1391 3.497,1392 1.639,1393 2.429,1394 0.081,1395 0.028,1396 2.429,1397 0.851,1398 0.705,1399 43.109,1400 0.342,1401 14.894,1402 1.443,1403 74,1404 209.804,1405 82.641,1406 199.37,1407 265.09,1408 184,1409 82,1410 193.881,1411 90.148,1412 196.671,1413 277.48,1414 181,1415 5.273}
{0 CHEMBL338720,1 1.628,2 10.208,3 4.004,4 16.03,5 96.768,6 8.059,7 0.654,8 3.83,9 3.947,10 3.523,11 3.434,12 4.969,13 3.383,14 4.317,15 4.494,16 3.852,17 3.77,18 5.414,19 3.711,20 4.432,21 4.594,22 3.922,23 3.87,24 5.612,25 3.797,26 4.59,27 4.811,28 3.882,29 3.819,30 5.755,31 3.756,32 4.453,33 4.663,34 3.78,35 3.829,36 5.495,37 3.713,38 4.419,39 4.619,40 3.566,41 3.759,42 5.446,43 3.598,44 4.245,45 4.441,46 3.382,47 3.572,48 5.311,49 3.441,50 4.358,51 4.644,52 3.236,53 3.475,54 5.258,55 3.321,56 0.026,57 0.642,58 8.074,59 3.8,60 5.361,61 4.716,62 0.306,63 1.035,64 18.627,65 6.161,66 15.197,67 7.804,68 0.111,69 1.099,70 16.87,71 7.092,72 21.236,73 9.151,74 0.429,75 1.239,76 23.929,77 7.131,78 52.985,79 8.937,80 0.167,81 1.124,82 19.205,83 7.046,84 23.348,85 8.912,86 0.222,87 1.062,88 25.908,89 8.507,90 29.111,91 9.375,92 0.086,93 0.852,94 16.147,95 6.449,96 21.877,97 8.07,98 0.182,99 0.898,100 19.681,101 6.882,102 31.169,103 9.472,104 22,105 36,106 0.283,107 0.556,108 0.636,109 0.721,110 0.781,111 0.781,112 3.228,113 1.005,114 -5.46,115 -5.34,116 -4.98,121 42.9,126 3,144 9,145 3,151 1,161 1,164 1,168 1,176 13,179 5,180 4,187 16,191 2,192 6,200 14,205 2,206 8,214 11,219 6,227 10,232 7,239 6,244 9,251 2,256 8,264 1,269 6,277 2,281 782,282 16.215,283 16.215,284 16.215,285 16.215,286 16.215,287 14.205,288 8.353,289 9.51,290 16.75,291 12.738,292 12.738,293 12.738,294 12.738,295 12.738,296 9.592,297 7.45,298 4.397,299 13.433,300 3.765,301 2.199,302 1.739,303 1.251,304 0.911,305 0.911,306 3.907,310 1,311 1,312 1,313 517,314 3.162,317 71.652,318 167.685,325 1.708,326 16.565,328 1,329 0.75,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.84,337 51,338 245,339 4.5,340 4.378,341 6.63,342 4.08,343 3.148,344 4.189,345 2.95,346 10.561,347 2.954,348 4.242,349 3.698,350 6.173,351 3.868,352 2.876,353 3.868,354 1.678,355 9.123,356 2.834,357 3.967,358 2.935,359 6.046,360 3.623,361 2.651,362 3.416,363 0.527,364 8.657,365 2.573,366 3.573,367 2.769,368 5.463,369 3.18,370 2.268,371 2.887,373 6.612,374 2.063,375 3.316,376 2.472,377 4.566,378 2.856,379 1.874,380 2.61,382 4.769,383 1.831,384 2.839,385 1.998,386 4.333,387 2.355,388 1.433,389 1.977,391 3.76,392 1.328,393 2.622,394 1.915,395 4.202,396 2.282,397 1.361,398 1.65,400 3.579,401 1.223,402 2.513,403 1.639,404 3.492,405 2.019,406 1.042,407 1.516,409 2.607,410 1.013,411 2.5,412 1.311,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.5,421 1.023,422 3.247,423 2,424 1,425 1.5,427 2.136,428 1,429 2.064,430 1,431 3.145,432 1.524,433 0.496,434 0.718,436 1.193,437 0.5,438 1.491,439 1,440 2.696,441 1.101,442 0.318,443 0.363,445 0.465,446 0.245,447 1.043,448 0.256,449 2.561,450 0.647,451 -0.342,452 -0.455,454 -0.814,455 -0.338,456 0.599,457 -0.297,458 2.218,459 0.14,460 -0.855,461 -1,463 -1.937,464 -0.818,465 0.5,466 -0.496,467 2,469 -1,470 -1.167,472 -2,473 -0.861,474 11.767,475 0.49,476 0.575,477 0.024,478 33.25,479 1.385,480 18,481 0.75,482 15.25,483 0.635,484 17.259,485 0.719,486 24.833,487 0.591,488 23.642,489 0.985,490 6.561,491 0.273,492 5.036,493 0.21,494 0.156,496 0.323,501 0.648,502 1.251,503 0.722,504 0.963,505 0.603,506 0.925,507 0.617,508 0.9,509 0.985,510 0.958,511 0.576,512 0.787,513 0.707,514 1.29,515 0.76,516 1.088,517 0.794,518 1.066,519 1.735,520 0.864,521 0.879,522 0.709,523 1.848,524 0.781,525 1.114,526 0.968,527 0.993,528 0.89,529 0.804,530 0.992,531 1.429,532 1.092,533 1.859,534 1.484,535 1.314,536 1.224,537 1.021,538 1.278,539 1.144,540 1.282,541 1.138,542 1.292,543 0.908,544 0.853,545 0.687,546 0.727,547 0.926,548 0.846,549 4.5,550 0.111,551 3.111,552 1.507,553 1.233,554 0.973,555 0.47,556 0.253,557 0.202,558 0.172,559 6291,560 17213,561 2.04,562 42.9,564 18,572 1.667,573 1.895,574 3.333,575 -0.74,577 1,582 68.36,583 1.628,584 3.194,585 3.653,586 4.142,587 4.481,588 4.481,589 2.777,590 3.689,591 4.554,592 3.488,593 962.78,594 7.851,595 11359.7,597 1,599 1,600 226.477,601 1.459,602 4.507,603 0.173,604 0.008,605 0.086,606 0.041,607 0.036,608 0.032,609 0.02,610 0.012,611 0.011,612 0.011,613 0.431,614 0.33,615 0.88,616 1.112,617 114.506,618 0.089,619 -0.146,620 0.079,621 -0.034,622 -0.066,623 -0.026,624 0.353,625 0.217,626 0.049,627 0.049,628 0.09,629 0.136,630 0.205,631 -0.278,632 0.068,633 -0.169,634 0.161,635 -0.134,636 -0.157,637 0.175,638 0.036,639 0.152,640 -0.156,641 0.104,642 -0.204,643 0.09,644 -0.055,645 0.051,646 -0.1,647 -0.06,648 -0.315,649 -0.032,650 -0.459,651 -0.239,652 -0.159,653 -0.223,654 -0.1,655 -0.33,656 -0.232,657 -0.312,658 -0.064,659 -0.317,660 -0.012,661 0.02,662 0.165,663 0.149,664 -0.027,665 0.166,666 1.876,667 5.181,668 0.708,669 22.465,670 1,671 1.12,672 4.228,673 17.873,674 0.701,675 3.296,676 3.611,677 3.892,678 4.111,679 4.304,680 4.369,681 4.454,682 4.489,683 4.615,684 4.71,685 6.096,686 0.659,687 338.47,688 3.296,689 4.828,690 5.68,691 6.553,692 7.425,693 8.304,694 9.183,695 10.065,696 10.947,697 11.832,698 9.5,705 1,706 1,708 2,715 9,716 2,720 5,721 1,722 17,741 42,743 18,744 2,745 26,747 44,748 18,749 14,750 3,751 9,752 1,756 3,757 3,761 1,772 15,773 3,777 1,782 1,786 1,790 1,793 18,794 4,796 6,797 1,802 4,808 1,809 1,828 1,829 2,859 3,860 1,862 1,864 3,868 24,879 1,881 1,890 1,893 2.4,896 1,901 12.667,902 8.633,903 5.389,904 2.282,907 3.118,908 1.446,909 0.978,910 4.908,911 10.102,912 3.597,913 4.193,914 4.811,915 5.376,916 5.869,917 6.169,918 6.6,919 6.968,920 7.407,921 7.795,922 0.857,923 37,924 8.827,926 3.637,927 0.026,929 7.701,931 16.818,933 13.266,936 2.201,937 52.833,940 1,941 211.88,942 158.342,943 38.349,945 25.145,947 32.22,948 126.123,949 237.025,950 38.349,951 23.983,952 3.124,953 85.286,954 58.593,955 14.354,956 4.276,957 244.099,959 211.88,960 164.472,961 25.145,962 32.22,964 214.208,965 25.145,968 5.594,969 123.102,970 33.449,971 32.22,972 211.88,973 63.494,974 158.342,977 211.88,978 49.073,979 114.17,981 58.593,982 211.88,983 63.494,984 158.342,986 0.579,987 0.348,988 0.181,989 0.098,990 17,991 8,992 0.068,993 3,995 1,996 3.591,997 191.328,999 17,1000 100.039,1001 1,1005 16.593,1006 7.099,1007 3.49,1009 61.718,1010 18.218,1011 8.841,1015 4.309,1016 1.338,1018 433.717,1019 35.5,1024 12.181,1028 -0.209,1031 41.996,1032 47.029,1034 0.302,1035 0.592,1036 0.677,1037 0.768,1038 0.831,1039 0.831,1040 4.814,1041 1.042,1042 5.666,1043 3.579,1044 4.29,1045 4.879,1046 3.158,1047 6.482,1048 4.201,1049 6.024,1050 1,1051 7.235,1052 2.607,1053 3.892,1054 4.605,1055 1.305,1056 7.413,1057 3.745,1058 7.328,1059 1,1060 8.906,1061 2.275,1062 5.889,1063 7.067,1064 5.094,1065 10.501,1066 5.718,1067 8.672,1068 0.496,1069 10.635,1070 2.136,1071 6.33,1072 7.64,1073 2.419,1074 12.25,1075 6.095,1076 10.048,1077 0.318,1078 12.402,1079 1.193,1080 7.789,1081 9.538,1082 7.204,1083 14.845,1084 7.534,1085 11.448,1086 -0.342,1087 14.194,1088 0.465,1089 8.595,1090 10.509,1091 3.517,1092 16.916,1093 8.274,1094 12.866,1095 -0.855,1096 16.002,1097 -0.814,1098 9.845,1099 12.158,1100 9.354,1101 19.34,1102 9.497,1103 3.148,1104 -1,1105 17.822,1106 -1.937,1107 10.818,1108 13.334,1109 4.595,1110 21.551,1111 10.404,1112 2.876,1113 10.561,1114 19.651,1115 -2,1116 11.984,1117 14.862,1118 11.513,1119 23.914,1120 11.534,1121 2.651,1122 9.123,1123 21.487,1124 4.189,1125 13.036,1126 16.147,1127 5.656,1128 26.19,1129 12.521,1130 2.268,1131 8.657,1132 23.329,1133 3.868,1134 14.171,1135 17.616,1136 13.675,1137 28.533,1138 13.612,1139 1.874,1140 6.612,1141 25.175,1142 3.416,1143 15.26,1144 18.96,1145 6.706,1146 30.841,1147 14.637,1148 1.433,1149 4.769,1150 27.025,1151 2.887,1152 16.386,1153 20.401,1154 15.839,1155 33.18,1156 15.711,1157 1.361,1158 3.76,1159 28.878,1160 2.61,1161 17.494,1162 21.777,1163 7.75,1164 35.505,1165 16.756,1166 6194,1167 10387,1168 17.107,1169 29.455,1170 39.485,1171 43.139,1172 40.498,1173 38.884,1174 38.932,1175 52.387,1176 10.31,1177 111.473,1178 37.13,1179 5.273,1180 6.378,1181 6.432,1182 5.115,1183 5.148,1184 7.189,1185 5.9,1186 17.564,1187 4.954,1188 12.458,1189 1.519,1190 1.659,1191 1.558,1192 1.496,1193 1.497,1194 2.015,1195 0.397,1196 4.287,1197 1.428,1198 4.042,1199 4.077,1200 4.085,1201 3.972,1202 7.429,1203 3.97,1204 3.888,1205 3.932,1206 3.907,1207 3.749,1208 5.022,1209 3.755,1210 3.706,1211 3.747,1212 3.664,1213 3.579,1214 4.798,1215 3.58,1216 3.495,1217 3.576,1218 3.527,1219 3.279,1220 4.548,1221 3.274,1222 3.163,1223 3.245,1224 3.271,1225 3.07,1226 4.203,1227 2.994,1228 2.974,1229 3.011,1230 2.874,1231 2.831,1232 3.892,1233 2.825,1234 2.874,1235 3.009,1236 2.687,1237 2.735,1238 3.68,1239 2.715,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.173,1247 0.168,1248 0.255,1249 0.157,1250 0.121,1251 4.5,1252 0.161,1253 4.378,1254 0.113,1255 6.63,1256 0.406,1257 4.08,1258 0.114,1259 3.148,1260 4.189,1261 2.95,1262 10.561,1263 2.954,1264 1.992,1265 1.971,1266 2.089,1267 2.054,1268 1.196,1269 2.067,1270 1.77,1271 1.74,1272 1.896,1273 1.898,1274 0.962,1275 1.878,1276 1.591,1277 1.529,1278 1.798,1279 1.85,1280 0.855,1281 1.851,1282 1.352,1283 1.296,1284 1.539,1285 1.56,1286 0.707,1287 1.589,1288 1.183,1289 1.129,1290 1.417,1291 1.419,1292 0.469,1293 1.418,1294 1.05,1295 0.963,1296 1.284,1297 1.299,1298 0.355,1299 1.308,1300 0.934,1301 0.821,1302 1.233,1303 1.239,1304 0.299,1305 1.294,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 3.97,1314 5.283,1315 2.398,1316 6.795,1317 4.727,1318 8.387,1319 6.843,1320 10.021,1322 5.274,1331 1.399,1333 1.483,1340 27.675,1341 68.36,1342 134.134,1343 153.419,1344 173.948,1345 188.213,1346 188.213,1347 34.767,1348 6.984,1349 51.02,1350 76.32,1351 17,1352 12.365,1353 4.248,1354 3.392,1355 39.384,1356 88,1357 84,1358 0.224,1359 177.21,1360 297.72,1361 424.153,1362 9012,1364 17.104,1365 0.713,1366 0.609,1367 17.458,1368 14.618,1369 11.597,1370 0.446,1371 0.335,1372 7.49,1373 10.743,1374 7.062,1375 5.975,1376 12.154,1377 8.709,1378 10.24,1379 0.284,1380 0.173,1381 10.706,1382 6.228,1383 8.837,1384 0.184,1385 0.088,1386 9.334,1387 4.203,1388 6.888,1389 0.115,1390 0.046,1391 7.385,1392 2.778,1393 5.47,1394 0.075,1395 0.026,1396 5.975,1397 1.906,1398 0.351,1399 77.831,1400 0.242,1401 23.502,1402 0.613,1403 124,1404 361.176,1405 155.15,1406 376.187,1407 517.67,1408 352,1409 146,1410 375.151,1411 174.21,1412 395.776,1413 577.13,1414 367,1415 6.252}
{0 CHEMBL338755,1 1.269,2 14.974,3 6.773,4 45.869,5 160.244,6 6.428,7 0.512,8 4.439,9 4.579,10 3.898,11 4.011,12 5.337,13 3.951,14 5.035,15 5.24,16 4.243,17 4.442,18 5.849,19 4.349,20 5.343,21 5.598,22 4.352,23 4.606,24 6.103,25 4.484,26 5.381,27 5.645,28 4.3,29 4.602,30 6.138,31 4.467,32 5.377,33 5.632,34 4.225,35 4.624,36 6.092,37 4.468,38 5.454,39 5.732,40 4.094,41 4.628,42 6.106,43 4.432,44 5.453,45 5.761,46 3.954,47 4.53,48 6.039,49 4.305,50 5.308,51 5.626,52 3.893,53 4.364,54 5.91,55 4.162,56 0.096,57 1.165,58 18.888,59 7.632,60 11.663,61 11.102,62 0.227,63 1.975,64 34.834,65 13.089,66 22.309,67 19.487,68 0.331,69 2.528,70 47.722,71 17.24,72 35.133,73 26.077,74 0.506,75 2.613,76 50.028,77 17.397,78 42.565,79 26.386,80 0.351,81 2.567,82 49.225,83 18.343,84 34.711,85 27.427,86 0.356,87 2.648,88 53.012,89 20.407,90 36.017,91 30.279,92 0.32,93 2.519,94 52.831,95 20.576,96 34.654,97 30.563,98 0.41,99 2.202,100 46.2,101 16.88,102 33.798,103 25.393,104 2,105 59,106 0.193,107 0.48,108 0.64,109 0.731,110 0.754,111 0.754,112 3.667,113 1.029,114 -5.23,115 -5.12,116 -4.79,121 41.8,123 10,126 1,127 4,144 8,145 4,146 2,148 4,176 16,180 10,185 6,187 18,192 8,197 4,200 12,206 4,209 4,211 8,214 17,224 4,227 20,232 6,237 2,239 20,244 4,251 8,255 2,256 8,260 1,264 4,269 4,277 4,281 2732,282 26.673,283 26.673,284 26.673,285 26.673,286 26.673,287 24.098,288 30.081,289 16.205,290 27.011,291 21.322,292 21.322,293 21.322,294 21.322,295 21.322,296 17.274,297 37.101,298 7.726,299 21.881,300 5.035,301 3.153,302 2.098,303 1.503,304 1.351,305 1.351,306 4.392,312 1,313 1289,314 4,318 548.673,322 627.648,325 2.141,326 17.129,329 0.75,330 0.5,331 0.67,332 0.7,333 0.5,334 0.83,335 1,336 0.71,337 78.5,338 569,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.8,346 11.348,347 3.162,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 4.564,354 0.4,355 11.348,356 3.162,357 3.914,358 2.712,359 5.982,360 3.524,361 2.532,362 3.437,363 0.4,364 8.37,365 2.512,366 3.914,367 2.668,368 5.982,369 3.524,370 2.532,371 3.437,373 8.37,374 2.512,375 3.525,376 2.667,377 5.382,378 3.308,379 2.385,380 2.893,382 6.712,383 2.203,384 3.522,385 2.355,386 5.381,387 3.132,388 2.179,389 2.893,391 6.711,392 2.075,393 3.374,394 2.347,395 5.034,396 3.117,397 2.165,398 2.378,400 6.09,401 2.058,402 2.939,403 1.777,404 4.116,405 2.572,406 1.6,407 2.142,409 3.525,410 1.553,411 2.938,412 1.718,413 4.116,414 2.521,415 1.537,416 2.142,418 3.416,419 1.511,420 2.674,421 1.53,422 3.96,423 2.493,424 1.502,425 1.706,427 3.329,428 1.487,429 2.625,430 1.487,431 3.938,432 2.345,433 1.384,434 1.662,436 3.329,437 1.343,438 2.537,439 1.435,440 3.666,441 2.345,442 1.347,443 1.543,445 3.143,446 1.343,447 2.492,448 1.416,449 3.611,450 2.345,451 1.347,452 1.492,454 2.962,455 1.326,456 2.482,457 1.35,458 3.594,459 2.242,460 1.247,461 1.482,463 2.902,464 1.24,465 2.403,466 1.35,467 3.594,468 2.242,469 1.247,470 1.4,472 2.902,473 1.24,474 18.5,475 0.487,476 0.654,477 0.017,478 45.25,479 1.191,480 21,481 0.553,482 24.25,483 0.638,484 40.901,485 1.076,486 40.9,487 0.518,488 31.545,489 0.83,490 7.962,491 0.21,492 10.814,493 0.285,494 0.027,496 0.292,501 1.005,502 1.307,503 0.94,504 1.1,505 0.853,506 1.03,507 1.246,508 1.176,509 1.014,510 1.039,511 0.89,512 1.015,513 1.179,514 1.107,515 0.93,516 0.959,517 0.998,518 0.932,519 1.384,520 0.944,521 1.057,522 0.93,523 1.24,524 0.962,525 1.281,526 1.08,527 1.157,528 1.093,529 1.205,530 1.112,531 1.072,532 1.045,533 1.158,534 1.123,535 1.128,536 1.143,537 0.729,538 1.032,539 0.971,540 1.054,541 0.838,542 1.035,543 0.898,544 0.837,545 0.886,546 0.86,547 0.757,548 0.87,549 4.5,550 0.14,551 3.778,552 2.5,553 2.32,554 0.708,555 0.478,556 0.354,557 0.411,558 0.24,559 28695,560 52399,561 2.208,562 51.9,563 12,564 19,567 2,568 4,570 4,572 1.781,573 2.151,574 3.747,575 0.044,582 100.264,583 1.269,584 3.151,585 4.205,586 4.801,587 4.952,588 4.952,589 2.985,590 3.669,591 5.231,592 4.05,593 2847.3,594 9.165,595 52047.2,600 497.999,601 1.03,602 5.213,603 0.105,604 0.005,605 0.064,606 0.039,607 0.039,608 0.013,609 0.011,610 0.009,611 0.011,612 0.006,613 0.302,614 0.33,615 0.75,616 0.276,617 216.146,618 0.036,619 -0.094,620 0.075,621 0.003,622 0.116,623 0.035,624 -0.06,625 -0.047,626 0.002,627 -0.008,628 0.087,630 0.011,631 -0.06,632 0.078,633 0.027,634 0.104,635 0.052,636 0.022,637 0.117,638 -0.034,639 0.025,640 -0.024,641 -0.003,642 -0.172,643 -0.042,644 -0.158,645 -0.1,646 -0.193,647 -0.123,648 -0.146,649 -0.067,650 -0.178,651 -0.132,652 -0.22,653 -0.153,654 0.044,655 -0.125,656 -0.007,657 -0.074,658 -0.03,659 -0.05,660 0.152,661 0.09,662 0.1,663 0.084,664 0.094,665 0.088,666 0.538,667 1.979,668 0.737,669 39.911,670 0.98,671 1.126,672 3.996,673 15.972,674 0.655,675 3.784,676 4.094,677 4.419,678 4.736,679 5.03,680 5.1,681 5.242,682 5.357,683 5.425,684 5.268,685 9.493,686 0.602,687 507.79,688 3.784,689 5.323,690 6.188,691 7.072,692 7.958,693 8.853,694 9.747,695 10.647,696 11.546,697 12.448,698 6.3,701 1,703 2,708 2,714 4,715 8,716 2,720 6,722 22,734 2,741 79,743 22,744 2,745 43,747 84,748 33,749 18,750 4,751 8,756 6,757 12,767 8,770 10,772 18,773 15,793 41,794 5,795 2,796 5,802 5,808 0.333,822 2,829 6,833 4,855 1,859 2,864 1,868 38,876 14,877 2,881 1,901 17.667,902 14.267,903 8.389,904 5.475,907 4.634,908 1.519,909 1.025,910 7.97,911 13.563,912 4.007,913 4.615,914 5.268,915 5.914,916 6.539,917 6.872,918 7.255,919 7.602,920 7.902,921 7.715,922 1,923 64,924 14.142,926 5.993,927 0.026,929 7.307,931 28.668,933 24.644,936 1.807,937 68.667,941 459.073,942 144.807,943 72.717,948 144.807,949 459.073,950 72.717,951 8.396,952 33.768,953 75.81,954 69.593,955 29.957,957 459.073,959 459.073,960 217.524,964 411.989,965 47.084,968 46.694,969 101.237,970 69.593,972 459.073,973 72.717,974 144.807,977 459.073,978 60.6,979 87.331,980 36.022,981 33.571,982 459.073,983 72.717,984 144.807,986 0.569,987 0.341,988 0.201,989 0.117,990 29,991 11,992 0.119,993 10,994 4,995 1.286,996 5.03,997 371.343,998 0.286,999 28,1000 163.421,1005 25.435,1006 11.907,1007 5.642,1008 4.809,1009 72.717,1010 17.231,1011 9.959,1015 8.214,1017 36.022,1018 676.597,1019 54,1031 77.414,1032 88.965,1034 0.201,1035 0.5,1036 0.667,1037 0.762,1038 0.786,1039 0.786,1040 5.244,1041 1.6,1042 6.146,1043 6.09,1044 4.779,1045 5.303,1046 0.956,1047 6.969,1048 4.729,1049 6.427,1050 1.537,1051 7.699,1052 3.525,1053 4.205,1054 5.13,1055 0.325,1056 7.901,1057 4.123,1058 7.733,1059 1.502,1060 9.363,1061 3.416,1062 6.361,1063 7.569,1064 0.447,1065 11.073,1066 6.264,1067 9.084,1068 1.384,1069 11.097,1070 3.329,1071 6.698,1072 8.319,1073 0.268,1074 12.903,1075 6.578,1076 10.478,1077 1.347,1078 12.877,1079 3.329,1080 8.258,1081 10.204,1082 0.252,1083 15.578,1084 8.122,1085 11.901,1086 1.347,1087 14.69,1088 3.143,1089 9.039,1090 11.372,1091 0.188,1092 17.759,1093 8.885,1094 13.348,1095 1.247,1096 16.525,1097 2.962,1098 10.353,1099 13.038,1100 0.158,1101 20.273,1102 10.183,1103 3.226,1104 1.247,1105 18.376,1106 2.902,1107 11.347,1108 14.398,1109 0.125,1110 22.596,1111 11.158,1112 3.226,1113 11.348,1114 20.24,1115 2.902,1116 12.563,1117 15.974,1118 0.103,1119 25.055,1120 12.357,1121 2.532,1122 11.348,1123 22.113,1124 4.564,1125 13.654,1126 17.421,1127 0.082,1128 27.438,1129 13.429,1130 2.532,1131 8.37,1132 23.994,1133 4.564,1134 14.836,1135 18.961,1136 0.067,1137 29.877,1138 14.592,1139 2.385,1140 8.37,1141 25.881,1142 3.437,1143 15.97,1144 20.447,1145 0.054,1146 32.285,1147 15.707,1148 2.179,1149 6.712,1150 27.773,1151 3.437,1152 17.141,1153 21.973,1154 0.043,1155 34.718,1156 16.858,1157 2.165,1158 6.711,1159 29.67,1160 2.893,1161 18.294,1162 23.476,1163 0.035,1164 37.137,1165 17.991,1166 25781,1167 34995,1168 30.107,1169 51.734,1170 63.466,1171 63.928,1172 64.817,1173 63.6,1174 63.57,1175 80.63,1176 3.2,1177 179.924,1178 61.958,1179 5.604,1180 5.361,1181 6.532,1182 5.248,1183 5.226,1184 7.564,1185 1.2,1186 18.879,1187 5.162,1188 8.292,1189 1.476,1190 1.487,1191 1.507,1192 1.479,1193 1.478,1194 1.875,1195 0.074,1196 4.184,1197 1.441,1198 4.136,1199 4.169,1200 4.093,1201 4.061,1202 4.99,1203 4.065,1204 4.088,1205 4.118,1206 4.052,1207 4.018,1208 4.954,1209 4.023,1210 3.766,1211 3.843,1212 3.634,1213 3.653,1214 4.419,1215 3.639,1216 3.731,1217 3.781,1218 3.617,1219 3.649,1220 4.411,1221 3.635,1222 3.731,1223 3.78,1224 3.607,1225 3.579,1226 4.341,1227 3.577,1228 3.563,1229 3.644,1230 3.403,1231 3.394,1232 4.222,1233 3.384,1234 3.374,1235 3.462,1236 3.236,1237 3.195,1238 4.128,1239 3.193,1240 3.239,1241 3.3,1242 3.102,1243 3.126,1244 3.976,1245 3.113,1246 0.108,1247 0.078,1248 0.159,1249 0.098,1250 0.075,1251 4.64,1252 0.106,1253 3.361,1254 0.019,1255 6.829,1256 0.264,1257 4.207,1258 0.074,1259 3.226,1260 4.564,1261 0.8,1262 11.348,1263 3.162,1264 2.072,1265 2.047,1266 2.159,1267 2.164,1268 1.436,1269 2.164,1270 2.072,1271 2.046,1272 2.158,1273 2.162,1274 1.435,1275 2.162,1276 1.754,1277 1.709,1278 1.973,1279 1.949,1280 1.288,1281 1.963,1282 1.754,1283 1.709,1284 1.949,1285 1.873,1286 1.179,1287 1.902,1288 1.733,1289 1.659,1290 1.947,1291 1.872,1292 1.142,1293 1.901,1294 1.563,1295 1.489,1296 1.831,1297 1.771,1298 1.111,1299 1.795,1300 1.343,1301 1.27,1302 1.624,1303 1.595,1304 0.781,1305 1.609,1306 1.25,1307 1.196,1308 1.474,1309 1.407,1310 0.757,1311 1.431,1312 4.466,1314 5.778,1316 7.307,1318 8.948,1320 10.651,1322 2.257,1328 16.079,1329 7.642,1333 2.476,1340 47.589,1341 100.264,1342 248.909,1343 332.224,1344 379.244,1345 391.244,1346 391.244,1347 52.088,1348 8.928,1349 53.08,1350 53.08,1351 36,1352 12.97,1353 4.524,1354 3.585,1355 53.583,1356 227,1357 142,1358 0.112,1359 287.655,1360 490.3,1361 693.638,1362 143565,1364 25.736,1365 0.677,1366 0.602,1367 25.736,1368 22.86,1369 18.776,1370 0.437,1371 0.343,1372 14.644,1373 18.404,1374 14.311,1375 11.844,1376 18.776,1377 14.75,1378 16.307,1379 0.276,1380 0.189,1381 16.307,1382 11.137,1383 14.251,1384 0.174,1385 0.102,1386 14.251,1387 8.375,1388 12.53,1389 0.111,1390 0.057,1391 12.53,1392 6.386,1393 10.941,1394 0.072,1395 0.032,1396 10.941,1397 4.848,1398 0.184,1399 115.078,1400 0.182,1401 35.231,1402 0.283,1403 204,1404 411.601,1405 213.298,1406 414.641,1407 600.6,1408 396,1409 243,1410 465.775,1411 253.824,1412 477.556,1413 708.13,1414 455,1415 9.396}
{0 CHEMBL338975,1 1.514,2 7.75,3 2.35,4 5.524,5 78.396,6 6.717,7 0.273,8 3.811,9 3.945,10 3.3,11 3.266,12 4.816,13 3.246,14 4.409,15 4.62,16 3.729,17 3.718,18 5.388,19 3.681,20 4.633,21 4.819,22 3.818,23 3.946,24 5.555,25 3.871,26 4.866,27 5.121,28 3.687,29 3.998,30 5.726,31 3.871,32 4.763,33 5.016,34 3.449,35 3.87,36 5.622,37 3.691,38 4.702,39 5.028,40 3.158,41 3.561,42 5.427,43 3.364,44 4.18,45 4.441,46 3.031,47 3.147,48 5.135,49 3.041,50 3.974,51 4.207,52 2.834,53 2.9,54 5.134,55 2.842,56 0.016,57 0.61,58 9.777,59 3.564,60 7.208,61 5.272,62 0.409,63 0.992,64 19.073,65 5.869,66 31.708,67 8.999,68 0.14,69 1.233,70 23.144,71 8.368,72 23.071,73 12.233,74 0.385,75 1.359,76 30.467,77 9.499,78 41.884,79 14.547,80 0.212,81 1.182,82 26.912,83 9.705,84 33.769,85 14.401,86 0.382,87 0.907,88 26.666,89 8.094,90 39.734,91 12.487,92 0.242,93 0.597,94 15.636,95 4.565,96 23.857,97 6.893,98 0.339,99 0.486,100 13.163,101 2.863,102 35.661,103 4.506,104 29,105 34,106 0.273,107 0.597,108 0.78,109 0.863,110 0.863,111 0.863,112 3.06,113 0.947,114 -3.1,115 -3.1,116 -2.98,121 36.6,122 1,123 1,125 1,126 3,127 1,130 1,144 3,145 1,146 2,161 1,176 5,179 2,180 7,183 2,187 6,192 8,200 5,206 5,211 2,214 3,218 1,219 5,224 2,227 2,231 1,232 1,237 1,243 1,244 2,247 1,249 2,255 1,259 1,281 440,282 13.126,283 13.126,284 13.126,285 13.126,286 13.126,287 12.31,288 21.635,289 7.283,290 13.514,291 10.727,292 10.727,293 10.727,294 10.727,295 10.727,296 9.338,297 28.989,298 3.333,299 11.293,300 3.844,301 2.043,302 1.025,303 0.561,304 0.561,305 0.561,306 3.727,310 1,311 1,312 1,313 330,314 3.317,317 66.943,318 39.192,320 54.145,321 59.02,324 81.997,325 1.2,326 14.981,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 43.5,338 155,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 3.981,349 3.658,350 6.211,351 3.638,352 2.687,353 3.318,354 0.966,355 8.828,356 2.558,357 3.674,358 2.82,359 6.169,360 3.396,361 2.456,362 2.879,363 0.693,364 8.458,365 2.29,366 3.471,367 2.742,368 5.444,369 3.295,370 2.362,371 2.592,372 0.366,373 7.152,374 2.188,375 3.297,376 2.505,377 4.838,378 2.95,379 1.988,380 2.419,382 5.281,383 1.895,384 2.616,385 1.746,386 4.67,387 2.42,388 1.476,389 1.63,391 4.351,392 1.388,393 2.518,394 1.171,395 4.214,396 2.128,397 1.134,398 1.523,400 3.06,401 1.126,402 1.787,403 1.106,404 3.723,405 1.698,406 0.735,407 0.765,409 1.826,410 0.705,411 1.507,412 0.915,413 3.088,414 1.304,415 0.39,416 0.414,418 0.594,419 0.352,420 1.224,421 0.653,422 2.931,423 0.834,424 -0.136,425 -0.165,427 -0.306,428 -0.13,429 0.762,430 -0.015,431 2.582,432 0.638,433 -0.304,434 -0.319,436 -0.747,437 -0.285,438 0.665,439 -0.171,440 2.427,441 0.308,442 -0.679,443 -0.834,445 -1.876,446 -0.662,447 0.524,448 -0.587,449 2.277,450 0.083,451 -0.908,452 -1,454 -2.679,455 -0.893,457 -0.792,458 2.139,459 -0.049,460 -1,461 -1.234,463 -2.804,464 -0.946,465 -0.169,466 -0.875,467 1.891,468 -0.397,469 -1.363,470 -1.524,472 -3.083,473 -1.31,474 9.367,475 0.468,476 0.703,477 0.035,478 22.25,479 1.113,480 8.5,481 0.425,482 13.75,483 0.688,484 18.124,485 0.906,486 23.033,487 0.562,488 15.515,489 0.776,490 4.311,491 0.216,492 5.158,493 0.258,494 0.249,495 0.053,496 0.352,501 0.824,502 1.668,503 0.864,504 1.326,505 0.62,506 1.126,507 0.754,508 0.752,509 0.782,510 0.669,511 0.394,512 0.696,513 0.943,514 1.408,515 1.045,516 1.298,517 0.67,518 1.207,519 1.121,520 0.926,521 1.134,522 0.971,523 0.868,524 1.033,525 0.644,526 1.282,527 1.12,528 1.415,529 0.779,530 1.36,531 0.871,532 0.709,533 0.737,534 0.748,535 0.737,536 0.738,537 1.197,538 1.068,539 0.921,540 1.041,541 1.211,542 0.97,543 2.297,544 0.873,545 1.406,546 0.821,547 3.215,548 0.961,549 5.5,551 3.556,552 3.146,553 1.246,554 0.646,555 0.471,556 0.297,557 0.168,558 0.045,559 3227,560 7706,561 2.007,562 51.2,563 3,564 14,565 1,567 1,569 2,572 1.622,573 1.805,574 2.896,575 -0.271,577 1,579 1,582 62.063,583 1.514,584 3.315,585 4.332,586 4.796,587 4.796,588 4.796,589 2.423,590 4.022,591 4.289,592 3.025,593 574.662,594 7.351,595 5586.97,596 1,597 1,599 1,600 219.66,601 1.776,602 4.203,603 0.25,605 0.105,606 0.087,607 0.042,608 0.031,609 0.029,610 0.021,611 0.015,612 0.009,613 0.589,614 0.83,615 1,616 1.364,617 86.168,618 -0.017,619 -0.349,620 0.079,621 -0.148,622 -0.045,623 -0.039,624 0.242,625 0.439,626 0.21,627 0.346,628 0.24,629 0.293,630 -0.084,631 -0.253,632 -0.101,633 -0.18,634 0.009,635 -0.151,636 -0.186,637 0.099,638 -0.165,639 0.012,640 -0.049,641 -0.056,642 0.047,643 -0.304,644 -0.2,645 -0.369,646 -0.042,647 -0.331,648 0.079,649 0.052,650 0.239,651 0.158,652 0.013,653 0.213,654 0.091,655 -0.18,656 0.096,657 -0.106,658 0.036,659 -0.028,660 -0.287,661 0.092,662 -0.282,663 0.004,664 -0.337,665 -0.127,666 2.096,667 4.353,668 0.6,669 13.5,670 0.998,671 1.138,672 1.869,673 3.493,674 0.629,675 3.135,676 3.555,677 3.912,678 4.263,679 4.466,680 4.564,681 4.754,682 4.804,683 4.71,684 4.615,685 4.564,686 0.591,687 275.39,688 3.135,689 4.727,690 5.631,691 6.578,692 7.509,693 8.466,694 9.411,695 10.372,696 11.325,697 12.289,698 7.3,701 1,704 1,705 1,715 3,720 3,722 6,736 1,737 1,741 41,743 7,744 1,745 22,747 43,748 15,749 6,750 3,751 3,756 3,757 6,763 1,764 1,766 1,767 1,770 1,772 7,773 8,777 1,782 1,786 1,789 1,790 1,793 21,794 5,795 1,796 5,802 3,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 4,868 20,876 2,877 1,878 1,880 1,881 2,882 1,893 4.9,896 1,898 1,901 11.083,902 8.567,903 4.319,904 2.399,907 1.322,908 1.191,909 0.934,910 3.179,911 8.23,912 3.296,913 3.861,914 4.385,915 4.93,916 5.417,917 5.674,918 6.04,919 6.273,920 6.285,921 6.221,922 1,923 36,924 7.403,926 3.149,927 0.026,929 7.663,931 14.401,933 12.196,936 2.163,937 43.25,938 0.001,941 235.422,942 85.032,943 24.259,945 36.145,948 85.032,949 271.567,950 24.259,951 34.014,952 22.651,953 28.429,954 25.145,955 28.434,956 18.534,957 223.651,959 235.422,960 109.291,961 36.145,964 211.88,965 59.687,968 34.601,969 74.69,972 235.422,973 60.404,974 85.032,977 235.422,978 22.588,979 68.692,980 18.011,981 36.145,982 235.422,983 60.404,984 85.032,986 0.603,987 0.374,988 0.203,989 0.107,990 19,991 9,992 0.047,993 2,994 2,995 1.333,996 3.052,997 161.667,998 0.333,999 12,1000 86.439,1005 13.711,1006 4.638,1007 1.935,1009 60.404,1010 5.917,1015 3.108,1017 18.011,1018 380.858,1019 26,1024 11.353,1028 -0.429,1031 40.912,1032 46.651,1034 0.283,1035 0.619,1036 0.809,1037 0.895,1038 0.895,1039 0.895,1040 4.62,1041 0.735,1042 5.707,1043 3.06,1044 4.234,1045 4.543,1046 2.466,1047 6.693,1048 4.142,1049 5.85,1050 0.39,1051 7.388,1052 1.826,1053 4.205,1054 4.559,1055 1.905,1056 8.162,1057 4.094,1058 7.208,1059 -0.136,1060 9.187,1061 0.594,1062 6.043,1063 6.66,1064 3.531,1065 11.337,1066 5.888,1067 8.603,1068 -0.304,1069 11.06,1070 -0.306,1071 6.825,1072 7.43,1073 3.612,1074 13.665,1075 6.668,1076 10.036,1077 -0.679,1078 12.984,1079 -0.747,1080 8.256,1081 9.119,1082 4.913,1083 16.498,1084 8.071,1085 11.496,1086 -0.908,1087 14.946,1088 -1.876,1089 9.371,1090 10.225,1091 5.293,1092 19.111,1093 9.183,1094 12.977,1095 -1,1096 16.935,1097 -2.679,1098 10.699,1099 11.768,1100 6.388,1101 21.864,1102 10.491,1103 3.737,1104 -1.363,1105 18.946,1106 -2.804,1107 11.942,1108 13.036,1109 6.931,1110 24.559,1111 11.723,1112 2.687,1113 15.306,1114 20.973,1115 -3.083,1116 13.251,1117 14.519,1118 7.902,1119 27.294,1120 13.015,1121 2.456,1122 8.828,1123 23.013,1124 4.206,1125 14.54,1126 15.868,1127 8.539,1128 30.013,1129 14.288,1130 2.362,1131 8.458,1132 25.062,1133 3.318,1134 15.85,1135 17.326,1136 9.436,1137 32.743,1138 15.58,1139 1.988,1140 7.152,1141 27.119,1142 2.879,1143 17.157,1144 18.716,1145 10.13,1146 35.468,1147 16.867,1148 1.476,1149 5.281,1150 29.181,1151 2.592,1152 18.47,1153 20.161,1154 10.981,1155 38.197,1156 18.161,1157 1.134,1158 4.351,1159 31.247,1160 2.419,1161 19.783,1162 21.573,1163 11.71,1164 40.924,1165 19.454,1166 3288,1167 5165,1168 13.929,1169 25.779,1170 34.178,1171 35.306,1172 37.092,1173 33.903,1174 33.929,1175 39.492,1176 8.422,1177 109.713,1178 32.32,1179 5.797,1180 5.973,1181 7.557,1182 5.778,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 11.799,1189 1.554,1190 1.605,1191 1.686,1192 1.541,1193 1.542,1194 1.795,1195 0.383,1196 4.987,1197 1.469,1198 4.089,1199 4.128,1200 4.037,1201 3.994,1202 7.435,1203 3.999,1204 3.71,1205 3.751,1206 3.631,1207 3.564,1208 4.834,1209 3.569,1210 3.517,1211 3.584,1212 3.422,1213 3.21,1214 4.454,1215 3.255,1216 3.291,1217 3.388,1218 3.117,1219 3.061,1220 4.224,1221 3.06,1222 3.243,1223 3.339,1224 3.041,1225 3.035,1226 4.05,1227 3.024,1228 2.976,1229 3.093,1230 2.77,1231 2.762,1232 3.897,1233 2.729,1234 2.969,1235 3.014,1236 2.679,1237 2.697,1238 3.815,1239 2.698,1240 2.775,1241 2.849,1242 2.583,1243 2.611,1244 3.497,1245 2.599,1246 0.22,1247 0.181,1248 0.364,1249 0.214,1250 0.17,1251 4.832,1252 0.191,1253 3.973,1254 0.099,1255 8.006,1256 0.696,1257 4.714,1258 0.166,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.903,1265 1.884,1266 2.004,1267 1.995,1268 1.31,1269 1.995,1270 1.633,1271 1.578,1272 1.833,1273 1.836,1274 1.058,1275 1.837,1276 1.535,1277 1.455,1278 1.788,1279 1.772,1280 1.013,1281 1.781,1282 1.4,1283 1.327,1284 1.69,1285 1.717,1286 0.683,1287 1.712,1288 1.22,1289 1.124,1290 1.577,1291 1.488,1292 0.642,1293 1.522,1294 1.014,1295 0.899,1296 1.453,1297 1.291,1298 0.563,1299 1.354,1300 0.878,1301 0.833,1302 1.177,1303 1.209,1304 0.347,1305 1.176,1306 0.797,1307 0.727,1308 1.077,1309 1.041,1310 0.15,1311 1.091,1312 3.807,1314 5.198,1315 3.045,1316 6.792,1317 5.638,1318 8.486,1319 7.921,1320 10.242,1322 8.163,1328 2.209,1329 2.473,1330 5.262,1332 0.382,1333 4.714,1334 0.098,1340 24.235,1341 62.063,1342 135.908,1343 177.621,1344 196.64,1345 196.64,1346 196.64,1347 28.295,1348 6.908,1349 44.81,1350 44.81,1351 16,1352 12.771,1353 3,1354 2.322,1355 29.875,1356 54,1357 64,1358 0.29,1359 149.141,1360 260.1,1361 355.664,1362 7381,1364 14.491,1365 0.725,1366 0.622,1367 14.491,1368 12.435,1369 9.469,1370 0.43,1371 0.316,1372 6.811,1373 8.995,1374 6.493,1375 5.434,1376 9.469,1377 6.943,1378 9.105,1379 0.268,1380 0.175,1381 9.105,1382 5.951,1383 8.047,1384 0.164,1385 0.096,1386 8.047,1387 4.716,1388 6.971,1389 0.1,1390 0.054,1391 6.971,1392 3.777,1393 5.42,1394 0.063,1395 0.029,1396 5.42,1397 2.527,1398 0.431,1399 60.049,1400 0.268,1401 19.279,1402 0.867,1403 112,1404 299.094,1405 124.692,1406 284.125,1407 392.55,1408 266,1409 139,1410 296.247,1411 151.976,1412 300.356,1413 445.67,1414 279,1415 7.553}
{0 CHEMBL339039,1 1.448,2 17.622,3 6.174,4 38.115,5 144.104,6 7.08,7 0.45,8 4.338,9 4.449,10 3.858,11 3.862,12 5.403,13 3.837,14 4.888,15 5.06,16 4.185,17 4.225,18 5.948,19 4.176,20 5.147,21 5.359,22 4.257,23 4.348,24 6.129,25 4.284,26 5.181,27 5.398,28 4.22,29 4.326,30 6.242,31 4.249,32 5.154,33 5.38,34 4.11,35 4.308,36 6.141,37 4.211,38 5.129,39 5.357,40 4.048,41 4.269,42 6.095,43 4.157,44 5.101,45 5.337,46 3.935,47 4.199,48 6.015,49 4.082,50 4.99,51 5.214,52 3.891,53 4.157,54 5.875,55 4.039,56 0.011,57 0.951,58 15.312,59 6.957,60 8.156,61 8.961,62 0.374,63 1.534,64 29.056,65 11.174,66 39.033,67 14.974,68 0.378,69 1.855,70 39.535,71 14.263,72 48.222,73 19.17,74 0.7,75 1.872,76 41.725,77 14.493,78 79.33,79 19.61,80 0.519,81 1.833,82 40.477,83 14.394,84 70.032,85 19.543,86 0.48,87 1.775,88 39.362,89 14.401,90 68.745,91 19.657,92 0.608,93 1.701,94 39.119,95 13.517,96 68.839,97 18.317,98 0.414,99 1.563,100 34.031,101 12.585,102 45.621,103 17.125,104 26,105 53,106 0.226,107 0.521,108 0.731,109 0.874,110 0.903,111 0.903,112 3.641,113 0.969,114 -4.53,115 -4.46,116 -4.2,121 42.3,122 2,123 3,127 5,144 11,145 3,146 4,159 1,161 1,176 12,179 1,180 14,183 2,185 1,187 13,192 10,197 1,200 7,205 3,206 13,211 3,214 11,218 1,219 6,224 2,227 11,231 1,232 10,237 1,239 9,243 1,244 7,247 1,251 7,255 1,256 4,264 11,268 1,269 4,274 2,277 11,281 2866,282 25.447,283 25.447,284 25.447,285 25.447,286 25.447,287 23.064,288 31.713,289 15.563,290 25.987,291 19.708,292 19.708,293 19.708,294 19.708,295 19.708,296 15.987,297 41.749,298 7.347,299 20.528,300 4.701,301 2.813,302 1.466,303 0.55,304 0.359,305 0.359,306 4.34,312 1,313 1401,314 4.583,318 446.234,322 338.545,325 2.767,326 36.527,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 80,338 652,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 2.186,346 11.061,347 3.18,348 4.107,349 3.665,350 6.011,351 3.733,352 2.772,353 3.688,354 0.916,355 8.529,356 2.668,357 4.048,358 3.021,359 5.705,360 3.613,361 2.643,362 3.676,363 0.86,364 8.07,365 2.563,366 3.693,367 2.992,368 5.408,369 3.428,370 2.502,371 2.965,372 0.86,373 7.109,374 2.302,375 3.617,376 2.82,377 5.389,378 3.235,379 2.273,380 2.899,381 0.366,382 6.912,383 2.172,384 3.438,385 2.671,386 5.125,387 3.182,388 2.224,389 2.554,390 0.172,391 6.045,392 2.11,393 3.308,394 2.492,395 5.008,396 2.947,397 2.01,398 2.503,400 5.992,401 1.862,402 3.129,403 2.202,404 4.66,405 2.814,406 1.848,407 2.244,409 5.042,410 1.776,411 2.904,412 1.784,413 4.125,414 2.55,415 1.555,416 2.081,418 3.384,419 1.541,420 2.715,421 1.716,422 3.72,423 2.441,424 1.461,425 1.811,427 3.105,428 1.428,429 2.672,430 1.582,431 3.606,432 2.36,433 1.392,434 1.741,436 3.017,437 1.338,438 2.611,439 1.37,440 3.569,441 2.242,442 1.256,443 1.605,445 2.963,446 1.235,447 2.499,448 1.298,449 3.486,450 2.18,451 1.187,452 1.485,454 2.601,455 1.176,456 2.384,457 1.28,458 3.474,459 1.884,460 0.86,461 1.258,463 2.046,464 0.874,465 1.761,466 1.049,467 2.992,468 1.656,469 0.691,470 0.717,472 1.17,473 0.661,474 17.467,475 0.472,476 0.691,477 0.019,478 45.75,479 1.236,480 22.5,481 0.608,482 23.25,483 0.628,484 33.965,485 0.918,486 40.733,487 0.574,488 36.803,489 0.995,490 8.953,491 0.242,492 9.115,493 0.246,494 0.095,496 0.281,501 0.771,502 1.317,503 0.823,504 1.18,505 0.588,506 1.033,507 0.847,508 1.074,509 0.909,510 1.042,511 0.542,512 0.985,513 1.172,514 0.996,515 0.919,516 0.957,517 0.826,518 0.9,519 1.142,520 0.977,521 0.977,522 0.952,523 1.097,524 0.938,525 1.18,526 0.961,527 1.039,528 0.957,529 1.333,530 0.971,531 1.02,532 1.082,533 1.025,534 1.071,535 0.917,536 1.055,537 1.297,538 0.907,539 1.134,540 0.943,541 1.094,542 1.004,543 1.069,544 1.064,545 1.102,546 1.067,547 0.836,548 1.091,549 6.5,550 0.206,551 2.889,552 2.5,553 1.933,554 0.868,555 0.665,556 0.373,557 0.324,558 0.194,559 25154,560 62779,561 2.071,562 47.9,563 5,564 21,567 1,569 5,570 2,572 1.774,573 1.965,574 4.061,575 -0.419,582 102.842,583 1.448,584 3.337,585 4.684,586 5.6,587 5.79,588 5.79,589 3.553,590 5.101,591 5.181,592 4.256,593 2834.36,594 9.078,595 50966.1,600 436.632,601 1.283,602 5.153,603 0.162,604 0.006,605 0.055,606 0.045,607 0.037,608 0.018,609 0.015,610 0.01,611 0.009,612 0.005,613 0.363,614 0.17,615 0.75,616 1.419,617 210.753,618 -0.012,619 -0.138,620 0.058,621 -0.075,622 -0.023,623 -0.009,624 0.116,625 0.035,626 0.042,627 -0.023,628 0.132,629 -0.003,630 -0.08,631 0.019,632 0.075,633 0.031,634 0.016,635 0.074,636 0.054,637 0.017,638 0.036,639 0.019,640 0.068,641 0.025,642 -0.097,643 0.03,644 -0.04,645 0.02,646 -0.117,647 0.003,648 -0.009,649 -0.111,650 -0.037,651 -0.081,652 -0.011,653 -0.068,654 -0.13,655 0.062,656 -0.118,657 0.018,658 -0.134,659 -0.04,660 -0.082,661 -0.079,662 -0.121,663 -0.073,664 -0.087,665 -0.102,666 2.087,667 5.711,668 0.541,669 49.927,670 1,671 1.122,672 3.301,673 10.9,674 0.654,675 3.714,676 3.989,677 4.234,678 4.489,679 4.718,680 4.796,681 4.898,682 5.024,683 5.081,684 5.017,685 9.978,686 0.62,687 502.66,688 3.714,689 5.231,690 6.061,691 6.921,692 7.771,693 8.642,694 9.503,695 10.38,696 11.249,697 12.132,698 2.8,701 1,705 1,715 11,720 7,722 18,727 1,737 1,739 2,741 71,743 20,744 3,745 40,747 74,748 30,749 18,750 7,751 11,752 1,756 4,757 7,763 2,770 3,772 20,773 10,777 2,782 2,786 2,793 34,794 7,795 1,796 7,802 2,808 0.5,809 5,829 4,833 2,855 1,859 2,864 2,868 37,876 8,877 1,878 3,881 1,893 7,896 2,898 3,901 18.833,902 13.2,903 8.444,904 4.738,907 3.521,908 1.426,909 0.961,910 9.722,911 11.79,912 3.951,913 4.472,914 4.992,915 5.539,916 6.06,917 6.276,918 6.607,919 6.965,920 7.244,921 7.409,922 0.917,923 56,924 13.741,926 5.72,927 0.026,929 7.716,931 26.395,933 21.162,936 2.216,937 82,941 388.446,942 184.934,943 21.135,945 83.29,948 184.934,949 471.736,950 21.135,951 17.65,952 38.63,953 104.239,954 55.423,955 66.654,956 6.763,957 388.446,959 388.446,960 206.069,961 83.29,964 306.049,965 165.687,968 59.404,969 146.665,972 388.446,973 104.425,974 184.934,977 388.446,978 63.045,979 125.013,980 18.011,981 83.29,982 388.446,983 104.425,984 184.934,986 0.561,987 0.324,988 0.177,989 0.097,990 22,991 10,992 0.176,993 13,994 2,995 1.2,996 4.924,997 330.26,998 0.2,999 20,1000 190.75,1005 26.869,1006 13.387,1007 7.419,1009 104.425,1010 20.265,1015 4.527,1017 18.011,1018 677.805,1019 51,1024 24.647,1028 -0.454,1031 70.978,1032 79.687,1034 0.236,1035 0.543,1036 0.762,1037 0.911,1038 0.942,1039 0.942,1040 5.168,1041 1.848,1042 6.014,1043 5.992,1044 4.673,1045 5.159,1046 2.639,1047 6.779,1048 4.598,1049 6.333,1050 1.555,1051 7.537,1052 5.042,1053 4.111,1054 4.832,1055 1.847,1056 7.579,1057 4.007,1058 7.612,1059 1.461,1060 9.163,1061 3.384,1062 6.213,1063 7.255,1064 3.582,1065 10.694,1066 6.07,1067 8.926,1068 1.392,1069 10.85,1070 3.105,1071 6.494,1072 7.758,1073 3.603,1074 12.36,1075 6.339,1076 10.274,1077 1.256,1078 12.58,1079 3.017,1080 8.026,1081 9.652,1082 4.922,1083 14.996,1084 7.841,1085 11.646,1086 1.187,1087 14.339,1088 2.963,1089 8.731,1090 10.564,1091 5.291,1092 17.053,1093 8.547,1094 13.039,1095 0.86,1096 16.122,1097 2.601,1098 10.021,1099 12.221,1100 6.39,1101 19.529,1102 9.816,1103 3.215,1104 0.691,1105 17.923,1106 2.046,1107 10.945,1108 13.353,1109 6.93,1110 21.77,1111 10.745,1112 2.772,1113 11.061,1114 19.74,1115 1.17,1116 12.135,1117 14.891,1118 7.902,1119 24.193,1120 11.924,1121 2.643,1122 8.529,1123 21.57,1124 4.198,1125 13.173,1126 16.145,1127 8.539,1128 26.519,1129 12.964,1130 2.502,1131 8.07,1132 23.411,1133 3.688,1134 14.327,1135 17.623,1136 9.436,1137 28.926,1138 14.111,1139 2.273,1140 7.109,1141 25.262,1142 3.676,1143 15.421,1144 18.947,1145 10.13,1146 31.292,1147 15.206,1148 2.224,1149 6.912,1150 27.122,1151 2.965,1152 16.567,1153 20.393,1154 10.981,1155 33.694,1156 16.346,1157 2.01,1158 6.045,1159 28.988,1160 2.899,1161 17.69,1162 21.758,1163 11.71,1164 36.079,1165 17.468,1166 24020,1167 38195,1168 26.929,1169 46.466,1170 57.822,1171 60.324,1172 59.886,1173 57.493,1174 57.442,1175 72.614,1176 10.723,1177 157.269,1178 55.335,1179 5.489,1180 5.692,1181 6.684,1182 5.302,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.18,1188 17.417,1189 1.446,1190 1.508,1191 1.497,1192 1.437,1193 1.436,1194 1.815,1195 0.268,1196 3.932,1197 1.383,1198 4.05,1199 4.059,1200 4.015,1201 3.966,1202 7.435,1203 3.975,1204 3.942,1205 3.971,1206 3.88,1207 3.858,1208 7.427,1209 3.858,1210 3.782,1211 3.81,1212 3.716,1213 3.711,1214 4.947,1215 3.708,1216 3.711,1217 3.78,1218 3.58,1219 3.543,1220 4.813,1221 3.531,1222 3.68,1223 3.742,1224 3.54,1225 3.514,1226 4.708,1227 3.514,1228 3.442,1229 3.509,1230 3.309,1231 3.253,1232 4.384,1233 3.245,1234 3.405,1235 3.461,1236 3.267,1237 3.126,1238 4.303,1239 3.161,1240 3.212,1241 3.245,1242 3.117,1243 3.056,1244 4.226,1245 3.069,1246 0.114,1247 0.092,1248 0.169,1249 0.105,1250 0.08,1251 4.553,1252 0.105,1253 3.692,1254 0.055,1255 6.774,1256 0.277,1257 4.203,1258 0.08,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.059,1267 2.084,1268 1.277,1269 2.074,1270 1.912,1271 1.886,1272 2.036,1273 2.028,1274 1.254,1275 2.032,1276 1.775,1277 1.752,1278 1.971,1279 1.912,1280 1.165,1281 1.928,1282 1.7,1283 1.631,1284 1.918,1285 1.883,1286 1.112,1287 1.899,1288 1.663,1289 1.596,1290 1.871,1291 1.831,1292 0.982,1293 1.847,1294 1.44,1295 1.366,1296 1.756,1297 1.658,1298 0.953,1299 1.693,1300 1.312,1301 1.248,1302 1.608,1303 1.616,1304 0.754,1305 1.609,1306 1.163,1307 1.128,1308 1.453,1309 1.392,1310 0.641,1311 1.415,1312 4.394,1314 5.68,1316 7.165,1318 8.751,1320 10.397,1322 4.2,1328 6.433,1329 2.765,1330 17.302,1333 2.315,1340 44.046,1341 102.842,1342 236.907,1343 332.539,1344 397.612,1345 411.122,1346 411.122,1347 77.491,1348 8.269,1349 81.01,1350 81.01,1351 24,1352 12.669,1353 4.392,1354 3.585,1355 65.431,1356 226,1357 246,1358 0.137,1359 270.336,1360 482.33,1361 651.379,1362 58254,1364 26.037,1365 0.704,1366 0.581,1367 26.037,1368 21.496,1369 18.067,1370 0.452,1371 0.323,1372 12.755,1373 17.376,1374 12.456,1375 10.394,1376 18.067,1377 12.924,1378 15.436,1379 0.291,1380 0.169,1381 15.436,1382 8.973,1383 12.72,1384 0.187,1385 0.091,1386 12.72,1387 6.199,1388 10.624,1389 0.121,1390 0.047,1391 10.624,1392 4.174,1393 8.494,1394 0.077,1395 0.025,1396 8.494,1397 2.795,1398 0.227,1399 113.166,1400 0.193,1401 34.865,1402 0.344,1403 186,1404 562.656,1405 206.41,1406 529.982,1407 722.97,1408 498,1409 214,1410 531.076,1411 233.611,1412 529.789,1413 777.68,1414 500,1415 8.066}
{0 CHEMBL339297,1 1.597,2 12.444,3 4.468,4 19.961,5 99.435,6 7.655,7 0.414,8 3.971,9 4.079,10 3.554,11 3.469,12 5.15,13 3.47,14 4.485,15 4.642,16 3.945,17 3.846,18 5.7,19 3.829,20 4.666,21 4.828,22 3.956,23 4.002,24 5.857,25 3.948,26 4.874,27 5.119,28 3.861,29 3.983,30 5.99,31 3.897,32 4.73,33 4.964,34 3.693,35 3.834,36 5.855,37 3.749,38 4.475,39 4.693,40 3.514,41 3.619,42 5.569,43 3.553,44 4.248,45 4.417,46 3.505,47 3.524,48 5.475,49 3.469,50 4.408,51 4.636,52 3.326,53 3.466,54 5.585,55 3.39,56 0.082,57 0.684,58 9.292,59 4.353,60 7.601,61 5.368,62 0.602,63 1.051,64 18.253,65 6.963,66 41.32,67 9.258,68 0.269,69 1.28,70 20.784,71 8.665,72 29.717,73 11.452,74 0.571,75 1.4,76 30.664,77 10.101,78 65.692,79 14.285,80 0.475,81 1.174,82 26.528,83 9.045,84 61.688,85 12.222,86 0.426,87 0.904,88 20.532,89 7.073,90 57.888,91 9.233,92 0.27,93 0.812,94 14.148,95 5.52,96 21.932,97 7.372,98 0.536,99 0.845,100 19.609,101 5.739,102 70.307,103 7.739,104 41,105 42,106 0.271,107 0.596,108 0.687,109 0.744,110 0.758,111 0.758,112 3.339,113 0.873,114 -4.92,115 -4.83,116 -4.53,121 41.7,122 3,125 1,126 1,144 8,145 2,146 2,160 1,161 2,168 1,176 12,179 6,180 3,183 1,185 3,187 16,191 2,192 6,197 4,200 13,205 1,206 10,211 2,214 9,219 9,222 1,224 1,227 9,232 3,235 1,237 1,239 8,243 1,244 4,247 2,249 3,251 6,255 1,256 3,259 1,264 4,268 2,269 6,277 8,281 1112,282 17.582,283 17.582,284 17.582,285 17.582,286 17.582,287 15.744,288 24.106,289 10.016,290 17.791,291 14.217,292 14.217,293 14.217,294 14.217,295 14.217,296 11.283,297 30.617,298 4.656,299 14.543,300 3.988,301 2.079,302 1.542,303 1.209,304 1.126,305 1.126,306 4.013,311 1,312 1,313 706,314 3.808,317 88.569,318 199.139,325 2.058,326 28.694,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 59.5,338 336,339 4.449,340 3.879,341 7.111,342 4.315,343 3.315,344 3.895,345 2.319,346 11.658,347 3.315,348 4.328,349 3.586,350 6.499,351 4.022,352 3.071,353 3.777,354 1.747,355 10.158,356 2.912,357 4.123,358 3.52,359 6.05,360 3.812,361 2.813,362 3.452,363 1.058,364 8.692,365 2.802,366 3.886,367 3.04,368 5.439,369 3.47,370 2.49,371 3.309,372 0.333,373 7.156,374 2.433,375 3.508,376 2.758,377 5.241,378 3.153,379 2.191,380 2.756,381 0.129,382 6.576,383 2.102,384 3.245,385 2.388,386 4.807,387 2.82,388 1.825,389 2.382,391 5.067,392 1.81,393 3.134,394 2.151,395 4.663,396 2.71,397 1.718,398 2.277,400 4.891,401 1.685,402 2.625,403 1.494,404 4.05,405 2.18,406 1.173,407 1.604,409 3.259,410 1.172,411 2.5,412 1.422,413 3.875,414 2,415 1,416 1.5,418 2.694,419 1,420 2.5,421 1.208,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.202,430 1,431 3.414,432 1.93,433 0.948,434 1.118,436 2.275,437 0.921,438 1.511,439 1,440 2.888,441 1.253,442 0.379,443 0.405,445 0.537,446 0.327,447 1.255,448 0.78,449 2.709,450 0.929,451 -0.054,452 -0.066,454 -0.134,455 -0.052,456 0.977,457 0.502,458 2.627,459 0.515,460 -0.495,461 -0.646,463 -1.199,464 -0.496,465 0.919,466 -0.17,467 2.389,468 0.414,469 -0.625,470 -0.905,472 -1.516,473 -0.642,474 12.533,475 0.464,476 0.898,477 0.033,478 34.75,479 1.287,480 17.5,481 0.648,482 17.25,483 0.639,484 21.54,485 0.798,486 29.467,487 0.614,488 27.204,489 1.008,490 6.959,491 0.258,492 5.816,493 0.215,494 0.213,495 0.04,496 0.311,501 0.731,502 1.29,503 0.745,504 1.165,505 0.608,506 0.991,507 0.486,508 0.946,509 0.657,510 0.81,511 0.47,512 0.785,513 0.666,514 1.384,515 1.001,516 1.343,517 0.746,518 1.26,519 0.818,520 0.951,521 0.905,522 0.938,523 0.802,524 0.929,525 1.033,526 0.889,527 0.991,528 0.979,529 1.23,530 0.976,531 1.21,532 0.823,533 0.975,534 0.85,535 1.434,536 0.873,537 0.695,538 1.373,539 1.018,540 1.328,541 0.799,542 1.265,543 1.374,544 0.795,545 1.23,546 0.817,547 1.933,548 0.957,549 7.5,550 0.147,551 3.778,552 2.194,553 1.539,554 0.993,555 0.491,556 0.32,557 0.349,558 0.225,559 9368,560 26651,561 1.984,562 43.8,563 9,564 11,567 1,572 1.694,573 1.81,574 3.565,575 -0.309,577 1,582 76.646,583 1.597,584 3.506,585 4.042,586 4.376,587 4.459,588 4.459,589 3.087,590 4.134,591 4.726,592 3.777,593 1325.6,594 8.165,595 17767.7,597 1,599 1,600 268.078,601 1.698,602 4.65,603 0.259,604 0.007,605 0.09,606 0.054,607 0.043,608 0.033,609 0.019,610 0.013,611 0.017,612 0.01,613 0.544,614 0.17,615 1,616 0.936,617 136.687,618 -0.001,619 -0.102,620 0.055,621 -0.094,622 -0.075,623 -0.025,624 0.435,625 0.144,626 0.247,627 0.208,628 0.204,629 0.179,630 0.042,631 -0.287,632 -0.142,633 -0.309,634 0.023,635 -0.276,636 0.02,637 0.011,638 0.086,639 0.029,640 0.065,641 0.072,642 -0.08,643 0.046,644 0.008,646 -0.065,647 0.022,648 -0.135,649 0.099,650 0.031,651 0.142,652 -0.18,653 0.12,654 0.139,655 -0.303,656 -0.122,657 -0.318,658 0.053,659 -0.295,660 -0.183,661 0.18,662 -0.195,663 0.103,664 -0.293,665 -0.022,666 2.317,667 5.416,668 0.63,669 28.132,670 1.012,671 1.126,672 3.692,673 13.634,674 0.66,675 3.401,676 3.761,677 3.97,678 4.159,679 4.317,680 4.382,681 4.466,682 4.394,683 4.533,684 4.533,685 7.321,686 0.639,687 367.44,688 3.401,689 4.963,690 5.802,691 6.686,692 7.542,693 8.424,694 9.285,695 10.166,696 11.03,697 11.91,698 6.3,705 2,707 1,715 8,720 4,722 12,729 1,737 1,741 48,743 15,744 2,745 29,747 50,748 20,749 12,750 4,751 8,752 1,756 3,757 3,763 3,764 1,772 15,773 5,777 3,782 2,785 1,786 3,790 1,793 21,794 7,795 1,796 7,802 3,808 1,809 4,828 1,829 2,858 1,859 3,864 4,868 27,877 1,878 2,881 1,882 1,893 8.3,896 2,898 2,901 14.917,902 9.983,903 5.833,904 2.676,907 2.546,908 1.354,909 0.934,910 5.308,911 9.729,912 3.664,913 4.234,914 4.723,915 5.227,916 5.698,917 5.877,918 6.224,919 6.307,920 6.625,921 6.865,922 1,923 41,924 9.948,926 4.179,927 0.026,929 7.923,931 18.544,933 14.708,936 2.423,937 65.417,940 1,941 235.422,942 143.393,943 37.676,945 72.29,948 143.393,949 307.712,950 37.676,951 37.359,952 21.013,953 75.81,954 54.995,955 50.547,956 13.635,957 235.422,959 235.422,960 181.068,961 72.29,964 235.422,965 72.29,968 64.151,969 116.917,972 235.422,973 109.965,974 143.393,977 235.422,978 30.224,979 116.17,980 18.011,981 88.953,982 235.422,983 109.965,984 143.393,986 0.597,987 0.339,988 0.166,989 0.087,990 20,991 10,992 0.1,993 5,995 1,996 3.859,997 220.055,999 17,1000 115.627,1005 19.084,1006 7.509,1007 4.354,1009 109.965,1010 14.222,1015 2.841,1017 18.011,1018 488.78,1019 38,1024 24.145,1027 3.893,1028 -0.97,1031 48.567,1032 54.069,1034 0.286,1035 0.628,1036 0.724,1037 0.783,1038 0.798,1039 0.798,1040 4.927,1041 1.173,1042 5.844,1043 4.891,1044 4.443,1045 4.92,1046 2.881,1047 6.688,1048 4.401,1049 6.158,1050 1,1051 7.441,1052 3.259,1053 4.29,1054 4.796,1055 2.297,1056 7.854,1057 4.245,1058 7.484,1059 1,1060 9.146,1061 2.694,1062 6.133,1063 7.045,1064 4.022,1065 10.829,1066 6.053,1067 8.842,1068 0.948,1069 10.915,1070 2.275,1071 6.746,1072 7.631,1073 4.116,1074 12.775,1075 6.663,1076 10.226,1077 0.379,1078 12.724,1079 2.275,1080 8.139,1081 9.424,1082 5.425,1083 15.351,1084 8.032,1085 11.628,1086 -0.054,1087 14.562,1088 0.537,1089 9.067,1090 10.334,1091 5.841,1092 17.591,1093 8.958,1094 13.045,1095 -0.495,1096 16.421,1097 -0.134,1098 10.305,1099 11.925,1100 6.954,1101 20.055,1102 10.18,1103 3.315,1104 -0.625,1105 18.296,1106 -1.199,1107 11.368,1108 13.006,1109 7.542,1110 22.409,1111 11.241,1112 3.071,1113 11.658,1114 20.184,1115 -1.516,1116 12.553,1117 14.491,1118 8.547,1119 24.845,1120 12.418,1121 2.813,1122 10.158,1123 22.082,1124 3.895,1125 13.674,1126 15.672,1127 9.235,1128 27.246,1129 13.538,1130 2.49,1131 8.692,1132 23.989,1133 3.777,1134 14.845,1135 17.097,1136 10.175,1137 29.678,1138 14.704,1139 2.191,1140 7.156,1141 25.903,1142 3.452,1143 15.993,1144 18.338,1145 10.924,1146 32.101,1147 15.853,1148 1.825,1149 6.576,1150 27.823,1151 3.309,1152 17.162,1153 19.729,1154 11.826,1155 34.537,1156 17.022,1157 1.718,1158 5.067,1159 29.748,1160 2.756,1161 18.325,1162 21.007,1163 12.611,1164 36.97,1165 18.186,1166 9209,1167 15860,1168 18.493,1169 31.688,1170 44.575,1171 46.429,1172 45.404,1173 43.742,1174 43.846,1175 55.948,1176 11.174,1177 130.476,1178 42.956,1179 5.333,1180 5.879,1181 6.647,1182 5.369,1183 5.315,1184 6.895,1185 4.122,1186 18.555,1187 5.315,1188 16.915,1189 1.537,1190 1.601,1191 1.566,1192 1.508,1193 1.512,1194 1.929,1195 0.385,1196 4.499,1197 1.481,1198 4.008,1199 4.037,1200 3.956,1201 3.933,1202 7.435,1203 3.932,1204 3.916,1205 3.947,1206 3.866,1207 3.828,1208 7.428,1209 3.831,1210 3.673,1211 3.703,1212 3.637,1213 3.496,1214 4.989,1215 3.492,1216 3.591,1217 3.631,1218 3.48,1219 3.318,1220 4.742,1221 3.394,1222 3.262,1223 3.316,1224 3.156,1225 3.01,1226 4.69,1227 3.041,1228 3.18,1229 3.225,1230 3.042,1231 2.885,1232 4.244,1233 2.907,1234 2.874,1235 3.009,1236 2.687,1237 2.735,1238 4.216,1239 2.715,1240 2.874,1241 3.009,1242 2.687,1243 2.735,1244 3.883,1245 2.715,1246 0.153,1247 0.134,1248 0.245,1249 0.149,1250 0.114,1251 4.449,1252 0.134,1253 3.879,1254 0.08,1255 7.111,1256 0.402,1257 4.315,1258 0.114,1259 3.315,1260 3.895,1261 2.319,1262 11.658,1263 3.315,1264 1.969,1265 1.944,1266 2.092,1267 2.058,1268 1.286,1269 2.068,1270 1.885,1271 1.855,1272 1.991,1273 1.988,1274 1.087,1275 1.992,1276 1.616,1277 1.566,1278 1.835,1279 1.773,1280 0.946,1281 1.794,1282 1.294,1283 1.25,1284 1.601,1285 1.651,1286 0.585,1287 1.617,1288 1.206,1289 1.175,1290 1.417,1291 1.521,1292 0.469,1293 1.453,1294 1.02,1295 1.01,1296 1.417,1297 1.344,1298 0.469,1299 1.308,1300 0.934,1301 0.829,1302 1.315,1303 1.239,1304 0.336,1305 1.308,1306 0.934,1307 0.821,1308 1.181,1309 1.239,1310 0.218,1311 1.274,1312 4.078,1314 5.425,1315 2.398,1316 6.95,1317 4.727,1318 8.546,1319 6.804,1320 10.179,1322 7.737,1329 2.831,1330 9.605,1333 1.079,1334 0.034,1340 30.665,1341 76.646,1342 168.304,1343 194.039,1344 210.039,1345 214.039,1346 214.039,1347 51.306,1348 7.183,1349 86.36,1350 86.36,1351 17,1352 12.449,1353 4,1354 3.322,1355 47.418,1356 120,1357 109,1358 0.194,1359 190.458,1360 340.08,1361 456.478,1362 12507,1364 19.604,1365 0.726,1366 0.579,1367 19.604,1368 15.646,1369 12.774,1370 0.44,1371 0.291,1372 8.293,1373 12.169,1374 7.935,1375 6.716,1376 12.774,1377 8.442,1378 12.358,1379 0.294,1380 0.169,1381 12.358,1382 7.078,1383 9.622,1384 0.185,1385 0.079,1386 9.622,1387 4.087,1388 7.529,1389 0.12,1390 0.04,1391 7.529,1392 2.517,1393 5.675,1394 0.077,1395 0.021,1396 5.675,1397 1.554,1398 0.314,1399 81.086,1400 0.233,1401 26.417,1402 0.507,1403 142,1404 470.565,1405 161.143,1406 445.77,1407 603.15,1408 414,1409 165,1410 448.215,1411 183.457,1412 452.35,1413 658.51,1414 419,1415 4.301}
{0 CHEMBL339995,1 1.689,2 8.8,3 2.953,4 8.721,5 81.95,6 8.011,7 0.524,8 3.668,9 3.792,10 3.357,11 3.228,12 4.818,13 3.176,14 4.146,15 4.339,16 3.657,17 3.522,18 5.26,19 3.461,20 4.212,21 4.386,22 3.681,23 3.583,24 5.423,25 3.505,26 4.363,27 4.601,28 3.616,29 3.498,30 5.534,31 3.432,32 4.148,33 4.354,34 3.505,35 3.488,36 5.248,37 3.379,38 4.17,39 4.371,40 3.29,41 3.435,42 5.276,43 3.3,44 4.01,45 4.224,46 3.161,47 3.317,48 5.011,49 3.172,50 4.107,51 4.408,52 3.082,53 3.255,54 4.951,55 3.06,56 0.033,57 0.568,58 7.238,59 3.255,60 4.786,61 4.071,62 0.309,63 0.867,64 17.045,65 5.003,66 15.177,67 6.501,68 0.139,69 0.883,70 14.484,71 5.532,72 21.206,73 7.202,74 0.438,75 0.924,76 20.695,77 5.335,78 49.048,79 6.909,80 0.135,81 0.827,82 15.216,83 5.16,84 19.123,85 6.512,86 0.265,87 0.825,88 20.783,89 5.712,90 32.373,91 6.285,92 0.111,93 0.68,94 12.188,95 4.625,96 16.541,97 6.08,98 0.156,99 0.659,100 18.639,101 6.112,102 21.472,103 7.966,104 22,105 28,106 0.309,107 0.621,108 0.728,109 0.777,110 0.791,111 0.791,112 3.057,113 1.043,114 -4.36,115 -4.29,116 -4.05,121 38.9,126 3,137 2,144 5,145 1,151 1,161 1,164 1,168 1,176 8,179 5,180 4,187 9,191 2,192 4,200 7,205 2,206 5,214 4,219 7,227 2,232 8,239 1,244 6,251 2,256 5,264 2,269 4,277 1,281 498,282 13.353,283 13.353,284 13.353,285 13.353,286 13.353,287 11.835,288 8.353,289 7.973,290 13.896,291 10.279,292 10.279,293 10.279,294 10.279,295 10.279,296 7.832,297 7.45,298 3.698,299 10.984,300 3.481,301 1.772,302 1.184,303 0.917,304 0.841,305 0.841,306 3.712,310 1,311 1,312 1,313 359,314 3.317,317 60.332,318 73.264,325 1.34,326 15.025,328 1,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 43,338 176,339 4.456,340 4.377,341 6.601,342 4.031,343 3.109,344 4.115,345 2.95,346 10.425,347 2.868,348 3.96,349 3.697,350 5.613,351 3.547,352 2.56,353 3.514,354 1.678,355 7.315,356 2.535,357 3.74,358 2.716,359 5.352,360 3.375,361 2.431,362 3.029,363 0.527,364 6.917,365 2.278,366 3.307,367 2.518,368 5.038,369 2.887,370 1.986,371 2.499,373 5.764,374 1.781,375 2.938,376 2.189,377 4.333,378 2.474,379 1.484,380 2.106,382 3.702,383 1.466,384 2.62,385 1.993,386 3.635,387 2.285,388 1.394,389 1.642,391 3.136,392 1.223,393 2.5,394 1.543,395 3.247,396 2,397 1,398 1.5,400 2.136,401 1,402 2.311,403 1.428,404 3.179,405 1.65,406 0.664,407 1.008,409 1.509,410 0.645,411 2.058,412 1,413 3.066,414 1.469,415 0.464,416 0.689,418 1.11,419 0.459,420 1.489,421 0.621,422 2.645,423 1.093,424 0.298,425 0.349,427 0.444,428 0.234,429 0.822,430 0.239,431 2.295,432 0.453,433 -0.534,434 -0.667,436 -1.251,437 -0.524,438 0.5,439 -0.387,440 1.87,442 -1,443 -1,445 -2,446 -0.83,447 0.372,448 -0.6,449 1.591,450 -0.07,451 -1,452 -1.206,454 -2.347,455 -0.9,456 0.266,457 -0.606,458 1.555,459 -0.1,460 -1,461 -1.5,463 -2.401,464 -1,466 -1,467 1.333,468 -0.142,469 -1.093,470 -1.537,472 -2.884,473 -1.069,474 9.767,475 0.488,476 0.473,477 0.024,478 26.25,479 1.313,480 13.5,481 0.675,482 12.75,483 0.638,484 13.907,485 0.695,486 21.433,487 0.595,488 17.769,489 0.888,490 5.278,491 0.264,492 4.336,493 0.217,494 0.188,496 0.287,501 0.664,502 1.383,503 0.735,504 1.028,505 0.604,506 0.99,507 0.634,508 0.961,509 1.021,510 1.011,511 0.568,512 0.807,513 0.799,514 1.327,515 0.796,516 1.12,517 0.891,518 1.111,519 1.795,520 0.766,521 0.871,522 0.642,523 1.982,524 0.714,525 1.099,526 1.16,527 1.054,528 1.021,529 0.764,530 1.035,531 1.844,532 1.158,533 1.963,534 1.451,535 1.649,536 1.219,537 0.987,538 1.126,539 0.996,540 1.058,541 0.894,542 1.24,543 0.608,544 0.692,545 0.829,546 0.808,547 0.511,548 0.713,549 4,550 0.062,551 2,552 1.257,553 1.166,554 0.553,555 0.234,556 0.231,557 0.163,558 0.11,559 3606,560 10428,561 1.966,562 44.4,564 16,572 1.617,573 1.818,574 3.146,575 -0.689,576 1,577 1,579 1,582 60.814,583 1.689,584 3.398,585 3.986,586 4.253,587 4.329,588 4.329,589 2.528,590 3.584,591 4.292,592 3.28,593 623.263,594 7.33,595 6515.94,596 1,597 1,598 1,599 1,600 186.117,601 1.485,602 4.237,603 0.19,604 0.009,605 0.071,606 0.047,607 0.049,608 0.025,609 0.013,610 0.015,611 0.012,612 0.009,613 0.44,614 0.5,615 1,616 1.229,617 89.338,618 0.081,619 -0.225,620 0.08,621 -0.066,622 -0.067,623 -0.058,624 0.36,625 0.171,626 0.054,627 0.02,628 0.113,629 0.127,630 0.174,631 -0.289,632 0.057,633 -0.188,634 0.13,635 -0.171,636 -0.178,637 0.225,638 0.073,639 0.211,640 -0.181,641 0.162,642 -0.177,643 -0.085,644 -0.07,645 -0.043,646 -0.008,647 -0.098,648 -0.518,649 -0.03,650 -0.6,651 -0.258,652 -0.312,653 -0.281,654 -0.175,655 -0.136,656 -0.168,657 -0.153,658 -0.165,659 -0.286,660 0.114,661 0.145,662 0.271,663 0.249,664 0.19,665 0.356,666 1.874,667 4.961,668 0.55,669 16,670 1.003,671 1.128,672 3.127,673 9.775,674 0.686,675 3.091,676 3.367,677 3.584,678 3.761,679 3.871,680 3.784,681 3.738,682 3.784,683 3.807,684 3.714,685 5.382,686 0.643,687 288.41,688 3.091,689 4.595,690 5.416,691 6.267,692 7.112,693 7.97,694 8.824,695 9.686,696 10.545,697 11.409,698 11.1,705 1,706 1,708 2,715 5,716 2,720 3,721 1,722 11,741 36,743 13,744 1,745 21,747 37,748 14,749 8,750 1,751 5,752 3,756 2,757 2,761 1,772 11,773 3,777 2,782 1,784 2,786 1,789 1,790 1,793 16,794 4,796 6,797 1,802 4,808 1,809 1,828 1,829 1,849 2,859 2,860 1,862 1,864 3,868 20,879 1,881 1,890 1,893 2.8,896 1,901 11,902 7.467,903 4.583,904 1.879,907 2.598,908 1.42,909 0.943,910 4.852,911 8.786,912 3.384,913 3.927,914 4.496,915 4.998,916 5.386,917 5.554,918 5.815,919 6.182,920 6.551,921 6.821,922 0.833,923 27,924 7.34,926 2.931,927 0.026,929 7.775,931 13.855,933 10.471,936 2.275,937 45.5,938 0.001,941 188.338,942 133.019,943 38.349,945 25.145,947 32.22,948 100.799,949 213.483,950 38.349,951 23.983,952 3.124,953 66.334,954 58.593,955 7.983,956 4.276,957 220.557,959 188.338,960 139.149,961 25.145,962 32.22,964 190.666,965 25.145,968 5.594,969 78.826,970 52.401,971 32.22,972 188.338,973 63.494,974 133.019,977 188.338,978 42.702,979 95.218,981 58.593,982 188.338,983 63.494,984 133.019,986 0.57,987 0.334,988 0.17,989 0.091,990 12,991 6,992 0.081,993 3,995 1,996 3.225,997 139.009,999 11,1000 80.439,1001 1,1005 14.664,1006 6.617,1007 3.647,1009 61.718,1010 9.886,1011 8.552,1015 2.165,1016 1.315,1018 384.851,1019 28.5,1024 11.961,1026 3.721,1028 -0.207,1031 36.113,1032 40.614,1034 0.327,1035 0.657,1036 0.771,1037 0.823,1038 0.837,1039 0.837,1040 4.582,1041 0.664,1042 5.389,1043 2.136,1044 4.043,1045 4.61,1046 3.158,1047 6.159,1048 3.928,1049 5.778,1050 0.464,1051 6.93,1052 1.509,1053 3.611,1054 4.29,1055 1.305,1056 7.018,1057 3.412,1058 7.064,1059 0.298,1060 8.575,1061 1.11,1062 5.595,1063 6.75,1064 5.094,1065 10.092,1066 5.362,1067 8.391,1068 -0.534,1069 10.279,1070 0.444,1071 5.994,1072 7.288,1073 2.419,1074 11.801,1075 5.662,1076 9.752,1077 -1,1078 12.022,1079 -1.251,1080 7.446,1081 9.176,1082 7.204,1083 14.4,1084 7.084,1085 11.136,1086 -1,1087 13.793,1088 -2,1089 8.223,1090 10.123,1091 3.517,1092 16.468,1093 7.753,1094 12.539,1095 -1,1096 15.585,1097 -2.347,1098 9.468,1099 11.76,1100 9.354,1101 18.906,1102 8.958,1103 3.109,1104 -1.093,1105 17.393,1106 -2.401,1107 10.425,1108 12.921,1109 4.595,1110 21.131,1111 9.807,1112 2.56,1113 10.425,1114 19.214,1115 -2.884,1116 11.588,1117 14.437,1118 11.513,1119 23.511,1120 10.915,1121 2.431,1122 7.315,1123 21.045,1124 4.115,1125 12.633,1126 15.712,1127 5.656,1128 25.803,1129 11.856,1130 1.986,1131 6.917,1132 22.886,1133 3.514,1134 13.767,1135 17.17,1136 13.675,1137 28.162,1138 12.922,1139 1.484,1140 5.764,1141 24.734,1142 3.029,1143 14.854,1144 18.507,1145 6.706,1146 30.483,1147 13.91,1148 1.394,1149 3.702,1150 26.589,1151 2.499,1152 15.98,1153 19.938,1154 15.839,1155 32.833,1156 14.96,1157 1,1158 3.136,1159 28.448,1160 2.106,1161 17.088,1162 21.308,1163 7.75,1164 35.167,1165 15.973,1166 3702,1167 6424,1168 13.523,1169 24.693,1170 31.614,1171 34.736,1172 32.128,1173 30.766,1174 30.779,1175 40.902,1176 10.31,1177 84.914,1178 28.978,1179 5.227,1180 6.377,1181 6.403,1182 5.065,1183 5.109,1184 7.115,1185 5.9,1186 17.414,1187 4.868,1188 10.871,1189 1.505,1190 1.654,1191 1.53,1192 1.465,1193 1.466,1194 1.948,1195 0.491,1196 4.044,1197 1.38,1198 3.978,1199 4.026,1200 4.065,1201 3.881,1202 7.429,1203 3.878,1204 3.858,1205 3.9,1206 3.831,1207 3.683,1208 5.013,1209 3.7,1210 3.544,1211 3.623,1212 3.534,1213 3.317,1214 4.759,1215 3.333,1216 3.294,1217 3.346,1218 3.404,1219 3.239,1220 4.214,1221 3.167,1222 3.127,1223 3.214,1224 3.065,1225 2.953,1226 4.113,1227 2.911,1228 2.874,1229 3.009,1230 2.733,1231 2.735,1232 3.87,1233 2.715,1234 2.854,1235 2.925,1236 2.687,1237 2.618,1238 3.674,1239 2.626,1240 2.839,1241 2.87,1242 2.499,1243 2.608,1244 3.553,1245 2.57,1246 0.212,1247 0.208,1248 0.314,1249 0.192,1250 0.148,1251 4.456,1252 0.196,1253 4.377,1254 0.14,1255 6.601,1256 0.496,1257 4.031,1258 0.137,1259 3.109,1260 4.115,1261 2.95,1262 10.425,1263 2.868,1264 1.919,1265 1.892,1266 2.038,1267 1.994,1268 1.103,1269 2.01,1270 1.593,1271 1.53,1272 1.798,1273 1.894,1274 0.855,1275 1.859,1276 1.493,1277 1.452,1278 1.63,1279 1.641,1280 0.711,1281 1.64,1282 1.34,1283 1.277,1284 1.538,1285 1.559,1286 0.652,1287 1.587,1288 1.07,1289 0.981,1290 1.417,1291 1.36,1292 0.469,1293 1.385,1294 0.934,1295 0.852,1296 1.266,1297 1.239,1298 0.299,1299 1.308,1300 0.914,1301 0.821,1302 1.181,1303 1.121,1304 0.218,1305 1.114,1306 0.886,1307 0.804,1308 1.077,1309 1.062,1310 0.128,1311 1.107,1312 3.761,1314 5.043,1315 2.398,1316 6.512,1317 4.727,1318 8.059,1319 6.823,1320 9.649,1322 5.245,1331 1.392,1333 1.471,1340 23.148,1341 60.814,1342 122.327,1343 143.488,1344 153.098,1345 155.853,1346 155.853,1347 29.772,1348 6.188,1349 51.02,1350 76.32,1351 11,1352 11.958,1353 3.807,1354 3.087,1355 36.465,1356 64,1357 60,1358 0.284,1359 152.089,1360 257.06,1361 362.857,1362 3240,1364 14.535,1365 0.727,1366 0.623,1367 14.889,1368 12.463,1369 9.613,1370 0.458,1371 0.348,1372 6.079,1373 8.756,1374 5.685,1375 4.851,1376 10.171,1377 7.299,1378 8.354,1379 0.298,1380 0.181,1381 8.82,1382 5.063,1383 6.806,1384 0.194,1385 0.091,1386 7.303,1387 3.194,1388 5.067,1389 0.121,1390 0.049,1391 5.575,1392 2.041,1393 3.897,1394 0.083,1395 0.029,1396 4.392,1397 1.342,1398 0.442,1399 65.932,1400 0.272,1401 20.076,1402 0.786,1403 98,1404 311.176,1405 129.15,1406 323.863,1407 438.23,1408 302,1409 112,1410 310.151,1411 139.877,1412 327.799,1413 473.27,1414 302,1415 8}
{0 CHEMBL34000,1 1.527,2 10.35,3 2.491,4 6.204,5 78.903,6 6.859,7 0.524,8 3.772,9 3.9,10 3.262,11 3.218,12 4.899,13 3.197,14 4.277,15 4.477,16 3.488,17 3.564,18 5.23,19 3.509,20 4.451,21 4.674,22 3.46,23 3.675,24 5.338,25 3.565,26 4.552,27 4.811,28 3.374,29 3.603,30 5.426,31 3.469,32 4.466,33 4.742,34 3.263,35 3.45,36 5.391,37 3.335,38 4.385,39 4.644,40 3.045,41 3.336,42 5.333,43 3.205,44 4.156,45 4.432,46 2.907,47 3.225,48 4.927,49 3.079,50 4.08,51 4.361,52 2.871,53 3.167,54 4.9,55 3.033,56 0.074,57 0.572,58 9.255,59 3.434,60 14.36,61 4.918,62 0.262,63 0.855,64 16.42,65 5.211,66 18.215,67 7.704,68 0.191,69 0.954,70 19.458,71 7.067,72 20.172,73 10.15,74 0.355,75 0.95,76 22.403,77 6.896,78 28.549,79 10.582,80 0.281,81 0.819,82 20.876,83 6.028,84 33.586,85 9.255,86 0.445,87 0.709,88 19.727,89 5.637,90 47.402,91 8.242,92 0.158,93 0.634,94 14.962,95 4.775,96 18.193,97 7.309,98 0.173,99 0.601,100 13.909,101 4.226,102 19.748,103 6.61,104 7,105 26,106 0.274,107 0.607,108 0.798,109 0.841,110 0.862,111 0.862,112 3.055,113 0.963,114 -3.07,115 -3.07,116 -2.95,121 37.5,123 2,126 1,127 1,128 1,144 5,145 1,147 1,153 1,157 1,163 1,172 1,176 8,180 1,182 2,187 9,191 1,192 1,194 1,200 7,205 1,206 1,209 1,213 1,214 3,216 1,218 1,219 2,227 1,229 1,232 3,235 1,241 1,244 3,253 2,256 2,261 1,266 2,269 3,274 1,279 1,281 500,282 13.82,283 13.82,284 13.82,285 13.82,286 13.82,287 12.048,288 16.756,289 8.745,290 14.241,291 10.353,292 10.353,293 10.353,294 10.353,295 10.353,296 7.996,297 21.284,298 4.085,299 10.972,300 3.795,301 1.942,302 0.878,303 0.638,304 0.519,305 0.519,306 3.72,310 1,311 1,312 1,313 429,314 3,317 63.709,318 75.044,325 1.515,326 10.432,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 43.5,338 207,339 4.398,340 3.631,341 6.47,342 3.94,343 3.024,344 4.086,345 1.697,346 10.003,347 2.769,348 3.896,349 3.095,350 5.34,351 3.521,352 2.522,353 3.444,354 1.041,355 6.965,356 2.52,357 3.182,358 2.724,359 4.954,360 2.838,361 1.951,362 2.346,364 5.426,365 1.731,366 3.041,367 2.394,368 4.115,369 2.611,370 1.644,371 2.129,373 3.626,374 1.59,375 2.953,376 1.854,377 3.765,378 2.474,379 1.525,380 2.116,382 3.41,383 1.443,384 2.597,385 1.589,386 3.543,387 2.336,388 1.387,389 1.605,391 2.949,392 1.308,393 2.5,394 1.446,395 3.247,396 2,397 1,398 1.5,400 2.136,401 1,402 2.362,403 1.012,404 3.149,405 1.824,406 0.87,407 1.223,409 1.762,410 0.827,411 1.9,412 1,413 3.034,414 1.69,415 0.772,416 0.849,418 1.496,419 0.703,420 1.223,421 0.659,422 2.5,423 1.059,424 0.111,425 0.119,427 0.228,428 0.104,429 0.894,430 0.343,431 2,432 0.689,433 -0.269,434 -0.3,436 -0.528,437 -0.256,438 0.577,439 -0.179,440 1.934,441 0.251,442 -0.7,443 -0.838,445 -1.401,446 -0.661,447 0.5,448 -0.459,449 1.678,450 0.053,451 -0.873,452 -1.066,454 -1.737,455 -0.807,456 0.403,457 -0.963,458 1.555,460 -1,461 -1.354,463 -2.347,464 -1,465 0.131,466 -1,467 1.404,468 -0.19,469 -1.13,470 -1.5,472 -2.645,473 -1.063,474 9.367,475 0.468,476 0.277,477 0.014,478 23.5,479 1.175,480 10.5,481 0.525,482 13,483 0.65,484 14.132,485 0.707,486 22.733,487 0.568,488 15.339,489 0.767,490 5.128,491 0.256,492 4.68,493 0.234,494 0.089,496 0.192,501 0.841,502 1.547,503 0.877,504 1.261,505 0.796,506 1.106,507 1.159,508 0.959,509 1.059,510 0.901,511 0.663,512 0.946,513 0.819,514 1.103,515 1.045,516 1.202,517 0.68,518 1.171,519 0.841,520 1.091,521 1.038,522 1.126,523 0.657,524 1.116,525 1.105,526 0.886,527 0.96,528 0.958,529 0.935,530 0.929,531 1.64,532 0.805,533 1.17,534 0.841,535 1.797,536 0.937,537 0.881,538 1.008,539 0.961,540 0.998,541 0.649,542 0.994,543 0.926,544 0.888,545 0.947,546 0.839,547 1.015,548 0.881,549 2.5,550 0.065,551 1.778,552 1.104,553 0.561,554 0.306,555 0.116,556 0.115,557 0.107,558 0.094,559 4250,560 10959,561 2.024,562 50,563 2,564 10,565 3,566 2,567 1,569 2,572 1.609,573 1.935,574 3.338,575 -0.271,577 1,579 1,582 61.08,583 1.527,584 3.38,585 4.444,586 4.684,587 4.803,588 4.803,589 2.704,590 3.922,591 4.297,592 3.499,593 664.834,594 7.293,595 7366.31,596 1,597 1,599 1,600 212.877,601 1.157,602 4.273,603 0.119,604 0.005,605 0.068,606 0.046,607 0.028,608 0.017,609 0.008,610 0.009,611 0.008,612 0.007,613 0.316,614 0.67,615 1,616 0.98,617 91.95,618 0.094,619 -0.278,620 0.058,621 -0.118,622 0.086,623 -0.056,624 -0.092,625 0.197,626 -0.082,627 0.111,628 -0.059,629 0.03,630 0.001,631 -0.051,632 -0.107,633 -0.153,634 -0.036,635 -0.153,636 0.129,637 -0.127,638 -0.062,639 -0.169,640 0.046,641 -0.152,643 0.031,644 0.043,645 -0.04,646 0.096,647 0.012,648 -0.119,649 0.041,650 -0.124,651 0.08,652 -0.167,653 -0.012,654 -0.054,655 -0.082,656 -0.002,657 -0.029,658 -0.026,659 -0.01,660 -0.099,661 0.063,662 0.019,663 0.109,664 -0.089,665 0.089,666 1.045,667 2.625,668 0.55,669 16.3,670 0.999,671 1.136,672 1.838,673 3.38,674 0.635,675 3.091,676 3.296,677 3.497,678 3.664,679 3.664,680 3.434,681 3.367,682 3.332,683 3.332,684 3.401,685 6.221,686 0.599,687 274.38,688 3.091,689 4.554,690 5.352,691 6.172,692 6.989,693 7.817,694 8.642,695 9.474,696 10.304,697 11.139,698 7.5,706 1,707 1,708 1,715 7,720 2,721 2,722 11,726 1,741 40,743 12,744 1,745 21,747 41,748 15,749 9,750 1,751 5,752 1,756 2,757 2,770 2,772 10,773 5,777 1,784 1,785 1,789 1,790 1,793 20,794 3,795 1,796 5,799 1,802 3,803 1,808 1,809 2,828 1,829 1,857 1,858 1,859 2,864 1,868 20,875 1,876 4,878 1,893 5,897 1,898 1,901 10.333,902 7.183,903 4.722,904 2.291,907 2.048,908 1.335,909 0.915,910 5.771,911 8.164,912 3.35,913 3.845,914 4.345,915 4.84,916 5.051,917 4.812,918 4.817,919 4.758,920 4.774,921 5.02,922 0.857,923 24,924 7.321,926 2.869,927 0.026,929 7.692,931 14.113,933 10.799,936 2.192,937 43.833,938 0.001,941 223.651,942 102.258,943 17.046,945 53.806,948 102.258,949 277.456,950 17.046,951 8.396,952 13.825,953 56.429,954 47.817,955 70.185,956 35.313,957 164.795,959 223.651,960 119.304,961 53.806,964 200.109,965 66.348,966 11,968 40.347,969 68.011,970 10.947,972 223.651,973 70.851,974 102.258,977 223.651,978 19.339,979 86.718,981 67.053,982 223.651,983 70.851,984 102.258,986 0.545,987 0.315,988 0.175,989 0.089,990 10,991 4,992 0.171,993 7,995 1,996 3.424,997 130.462,999 11,1000 82.439,1005 14.753,1006 7.823,1007 4.455,1009 67.053,1010 14.172,1015 2.118,1016 3.759,1017 42.806,1018 396.761,1019 27.5,1026 1.396,1027 3.061,1031 39.971,1032 45.443,1034 0.287,1035 0.635,1036 0.835,1037 0.88,1038 0.903,1039 0.903,1040 4.508,1041 0.87,1042 5.263,1043 2.136,1044 3.97,1045 4.527,1046 2.189,1047 5.964,1048 3.86,1049 5.656,1050 0.772,1051 6.746,1052 1.762,1053 3.219,1054 4.007,1056 6.698,1057 3.026,1058 6.91,1059 0.111,1060 8.342,1061 1.496,1062 5.434,1063 6.616,1064 2.993,1065 9.796,1066 5.206,1067 8.209,1068 -0.269,1069 10.011,1070 0.228,1071 5.638,1072 7.073,1074 11.502,1075 5.303,1076 9.548,1077 -0.7,1078 11.731,1079 -0.528,1080 7.216,1081 9.031,1082 3.938,1083 14.063,1084 6.855,1085 10.916,1086 -0.873,1087 13.486,1088 -1.401,1089 7.892,1090 9.957,1092 16.137,1093 7.411,1094 12.309,1095 -1,1096 15.268,1097 -1.737,1098 9.19,1099 11.623,1100 4.951,1101 18.527,1102 8.673,1103 3.024,1104 -1.13,1105 17.069,1106 -2.347,1107 10.093,1108 12.781,1110 20.74,1111 9.455,1112 2.522,1113 10.003,1114 18.884,1115 -2.645,1116 11.271,1117 14.309,1118 5.992,1119 23.074,1120 10.58,1121 1.951,1122 6.965,1123 20.71,1124 4.086,1125 12.279,1126 15.583,1128 25.341,1129 11.472,1130 1.644,1131 5.426,1132 22.544,1133 3.444,1134 13.409,1135 17.045,1136 7.044,1137 27.654,1138 12.533,1139 1.525,1140 3.626,1141 24.385,1142 2.346,1143 14.466,1144 18.379,1146 29.942,1147 13.48,1148 1.387,1149 3.41,1150 26.231,1151 2.129,1152 15.576,1153 19.811,1154 8.099,1155 32.249,1156 14.511,1157 1,1158 2.949,1159 28.081,1160 2.116,1161 16.657,1162 21.176,1164 34.546,1165 15.486,1166 4253,1167 6920,1168 14.099,1169 25.398,1170 30.088,1171 31.856,1172 30.709,1173 29.636,1174 29.612,1175 38.835,1176 5.476,1177 75.999,1178 27.991,1179 5.316,1180 5.631,1181 6.272,1182 5.027,1183 5.024,1184 7.086,1185 3.394,1186 16.5,1187 4.769,1188 8.014,1189 1.433,1190 1.517,1191 1.462,1192 1.411,1193 1.41,1194 1.849,1195 0.261,1196 3.619,1197 1.333,1198 4.03,1199 4.093,1200 3.981,1201 3.87,1202 6.546,1203 3.869,1204 3.918,1205 3.953,1206 3.839,1207 3.798,1208 4.867,1209 3.827,1210 3.558,1211 3.613,1212 3.409,1213 3.39,1214 4.75,1215 3.382,1216 3.252,1217 3.326,1218 3.169,1219 2.98,1220 4.494,1221 2.996,1222 3.236,1223 3.313,1224 3.062,1225 2.953,1226 4.04,1227 2.983,1228 2.996,1229 3.077,1230 2.793,1231 2.799,1232 3.887,1233 2.784,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 3.75,1239 2.715,1240 2.794,1241 2.888,1242 2.558,1243 2.605,1244 3.674,1245 2.581,1246 0.209,1247 0.173,1248 0.308,1249 0.188,1250 0.144,1251 4.398,1252 0.195,1253 3.631,1254 0.081,1255 6.47,1256 0.476,1257 3.94,1258 0.132,1259 3.024,1260 4.086,1261 1.697,1262 10.003,1263 2.769,1264 1.924,1265 1.893,1266 2.065,1267 2.013,1268 1.279,1269 2.032,1270 1.655,1271 1.595,1272 1.827,1273 1.919,1274 0.991,1275 1.887,1276 1.573,1277 1.509,1278 1.788,1279 1.808,1280 0.913,1281 1.804,1282 1.491,1283 1.425,1284 1.696,1285 1.684,1286 0.826,1287 1.702,1288 1.08,1289 1.013,1290 1.35,1291 1.429,1292 0.499,1293 1.395,1294 0.993,1295 0.913,1296 1.329,1297 1.253,1298 0.354,1299 1.279,1300 0.886,1301 0.821,1302 1.196,1303 1.087,1304 0.304,1305 1.131,1306 0.832,1307 0.74,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 3.761,1314 4.99,1315 2.398,1316 6.409,1317 4.727,1318 7.915,1319 6.783,1320 9.47,1322 1.892,1327 8.625,1328 3.162,1330 5.648,1340 23.972,1341 61.08,1342 135.214,1343 177.758,1344 187.367,1345 192.122,1346 192.122,1347 26.667,1348 6.116,1349 50.63,1350 50.63,1351 11,1352 11.709,1353 3.7,1354 2.907,1355 36.826,1356 76,1357 62,1358 0.236,1359 152.143,1360 257.6,1361 362.99,1362 3406,1364 14.209,1365 0.71,1366 0.585,1367 14.209,1368 11.697,1369 9.809,1370 0.467,1371 0.321,1372 6.614,1373 9.3,1374 6.451,1375 5.416,1376 9.809,1377 6.743,1378 7.909,1379 0.304,1380 0.182,1381 7.909,1382 4.723,1383 6.363,1384 0.199,1385 0.101,1386 6.363,1387 3.243,1388 5.074,1389 0.134,1390 0.057,1391 5.074,1392 2.15,1393 3.672,1394 0.097,1395 0.033,1396 3.672,1397 1.267,1398 0.384,1399 62.398,1400 0.266,1401 20.688,1402 0.605,1403 94,1404 277.508,1405 104.035,1406 265.455,1407 353.79,1408 248,1409 105,1410 252.86,1411 116.008,1412 255.896,1413 358.71,1414 237,1415 4.674}
{0 CHEMBL34002,1 1.372,2 9.261,3 3.553,4 12.627,5 92.73,6 6.206,7 0.24,8 3.995,9 4.131,10 3.408,11 3.497,12 4.924,13 3.442,14 4.613,15 4.822,16 3.86,17 3.953,18 5.528,19 3.879,20 4.916,21 5.134,22 3.871,23 4.179,24 5.748,25 4.058,26 5.114,27 5.398,28 3.813,29 4.184,30 5.909,31 4.012,32 4.995,33 5.269,34 3.602,35 3.952,36 5.894,37 3.805,38 4.65,39 4.904,40 3.431,41 3.77,42 5.483,43 3.626,44 4.539,45 4.784,46 3.373,47 3.694,48 5.434,49 3.545,50 4.573,51 4.851,52 3.166,53 3.551,54 5.488,55 3.391,56 0.051,57 0.717,58 12.649,59 5.068,60 8.701,61 7.272,62 0.362,63 1.207,64 23.715,65 8.488,66 34.194,67 12.642,68 0.288,69 1.567,70 31.908,71 11.256,72 30.727,73 16.756,74 0.259,75 1.644,76 37.785,77 13.842,78 43.968,79 20.379,80 0.506,81 1.332,82 34.744,83 10.761,84 64.683,85 15.77,86 0.316,87 1.04,88 24.279,89 8.557,90 30.519,91 12.349,92 0.139,93 0.982,94 21.409,95 7.866,96 23.317,97 11.553,98 0.396,99 0.913,100 22.749,101 6.864,102 44.511,103 10.355,104 44,105 39,106 0.235,107 0.518,108 0.703,109 0.802,110 0.802,111 0.802,112 3.189,113 1.032,114 -4.18,115 -4.12,116 -3.89,121 37.3,122 5,123 2,125 1,127 2,129 1,132 1,144 3,145 2,146 1,161 1,176 8,179 1,180 6,183 2,185 3,187 15,192 5,200 11,206 12,211 2,214 6,219 6,224 2,227 5,231 1,232 2,237 2,239 8,244 3,249 3,251 7,255 1,256 1,259 1,264 6,277 9,281 653,282 14.676,283 14.676,284 14.676,285 14.676,286 14.676,287 13.836,288 25.645,289 8.149,290 14.993,291 12.275,292 12.275,293 12.275,294 12.275,295 12.275,296 10.91,297 40.555,298 3.781,299 12.742,300 4.3,301 2.65,302 1.571,303 0.996,304 0.996,305 0.996,306 3.858,310 1,311 1,312 1,313 447,314 4.183,317 85.799,318 49.92,320 69.306,321 74.577,324 104.528,325 1.512,326 17.425,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 49,338 213,339 4.78,340 3.899,341 7.933,342 4.675,343 3.685,344 4.16,345 2.186,346 14.943,347 3.652,348 4.168,349 3.716,350 6.446,351 4.099,352 3.133,353 3.334,354 0.8,355 10.157,356 3.025,357 3.959,358 3.112,359 6.169,360 3.633,361 2.675,362 3.169,363 0.366,364 8.713,365 2.565,366 3.581,367 2.851,368 5.668,369 3.3,370 2.37,371 2.774,373 7.443,374 2.19,375 3.333,376 2.585,377 5.376,378 3.187,379 2.212,380 2.398,382 6.938,383 2.141,384 3.239,385 2.39,386 4.725,387 2.839,388 1.851,389 2.387,391 5.13,392 1.808,393 2.612,394 1.52,395 4.633,396 2.327,397 1.349,398 1.646,400 4.04,401 1.316,402 2.29,403 1.167,404 4.149,405 2.113,406 1.12,407 1.275,409 2.988,410 1.111,411 1.734,412 0.899,413 3.329,414 1.652,415 0.672,416 0.703,418 1.38,419 0.657,420 1.394,421 0.74,422 3.122,423 1.199,424 0.24,425 0.263,427 0.493,428 0.228,429 0.962,430 0.437,431 2.842,432 0.788,433 -0.141,434 -0.149,436 -0.346,437 -0.131,438 0.875,439 0.165,440 2.72,441 0.557,442 -0.449,443 -0.513,445 -1.186,446 -0.441,447 0.613,448 -0.371,449 2.516,450 0.317,451 -0.689,452 -0.828,454 -1.786,455 -0.69,456 0.538,457 -0.678,458 2.388,459 0.17,460 -0.827,461 -1,463 -2.627,464 -0.823,465 0.098,466 -0.729,467 2.299,469 -1,470 -1,472 -3,473 -1,474 10.967,475 0.477,476 0.946,477 0.041,478 22.5,479 0.978,480 8,481 0.348,482 14.5,483 0.63,484 26.216,485 1.14,486 26.833,487 0.526,488 14.659,489 0.637,490 3.732,491 0.162,492 6.995,493 0.304,494 0.258,495 0.091,496 0.264,501 0.789,502 1.47,503 0.967,504 1.287,505 0.674,506 1.163,507 0.577,508 1.049,509 0.788,510 0.916,511 0.324,512 0.874,513 1.159,514 1.167,515 1.256,516 1.184,517 0.811,518 1.21,519 0.713,520 1.081,521 0.869,522 1.098,523 0.621,524 1.017,525 1.967,526 0.829,527 1.103,528 0.816,529 2.12,530 0.865,531 1.339,532 0.936,533 1.062,534 0.966,535 1.005,536 0.99,537 0.848,538 1.351,539 1.034,540 1.301,541 1.059,542 1.21,543 1.665,544 0.8,545 1.181,546 0.848,547 2.35,548 0.943,549 8,550 0.11,551 3.556,552 2.896,553 1.366,554 0.83,555 0.579,556 0.329,557 0.389,558 0.189,559 5104,560 9761,561 1.971,562 54.9,563 3,564 8,567 1,569 16,572 1.657,573 1.769,574 3.148,575 -0.369,577 1,582 69.977,583 1.372,584 3.022,585 4.102,586 4.676,587 4.676,588 4.676,589 2.682,590 4.317,591 4.492,592 3.34,593 844.992,594 7.736,595 9376.29,597 1,599 1,600 289.294,601 1.848,602 4.393,603 0.32,604 0.012,605 0.091,606 0.078,607 0.041,608 0.032,609 0.025,610 0.016,611 0.024,612 0.011,613 0.651,614 0.5,615 1,616 1.599,617 106.64,618 0.009,619 -0.152,620 0.065,621 -0.056,622 -0.067,623 0.001,624 0.348,625 0.13,626 0.234,627 0.169,628 0.312,629 0.185,630 -0.174,631 -0.005,632 -0.238,633 -0.125,634 -0.113,635 -0.174,636 0.077,637 -0.134,638 0.08,639 -0.102,640 0.161,641 -0.021,642 -0.226,643 0.059,644 -0.049,645 0.096,646 -0.206,647 0.048,648 -0.059,649 0.039,650 -0.048,651 0.034,652 -0.086,653 -0.004,654 0.027,655 -0.327,656 -0.06,657 -0.256,658 -0.031,659 -0.183,660 -0.117,661 0.152,662 -0.135,663 0.046,664 -0.257,665 -0.037,666 2.057,667 4.993,668 0.522,669 18.616,670 0.987,671 1.134,672 2.945,673 8.673,674 0.624,675 3.258,676 3.689,677 3.932,678 4.277,679 4.454,680 4.605,681 4.771,682 4.86,683 4.898,684 4.883,685 5.54,686 0.575,687 316.49,688 3.258,689 4.86,690 5.727,691 6.671,692 7.567,693 8.516,694 9.429,695 10.38,696 11.305,697 12.257,698 3.9,701 1,705 1,715 3,720 3,722 6,737 1,741 51,743 7,744 1,745 25,747 53,748 19,749 6,750 3,751 3,756 3,757 6,763 5,764 1,766 1,767 3,770 3,772 7,773 12,774 1,777 1,782 1,786 1,789 1,790 1,793 28,794 4,795 1,796 4,802 2,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 5,868 23,876 4,877 1,878 1,880 1,881 1,882 2,893 3.9,896 1,898 1,901 13,902 10.617,903 4.806,904 3.336,907 1.3,908 1.182,909 0.91,910 4.118,911 8.46,912 3.401,913 3.961,914 4.385,915 4.937,916 5.38,917 5.648,918 6.019,919 6.283,920 6.381,921 6.46,922 1,923 37,924 8.571,926 3.651,927 0.026,929 7.565,931 16.928,933 14.546,936 2.065,937 47.5,938 0.001,940 1,941 317.82,942 100.212,943 21.135,945 36.145,948 100.212,949 353.965,950 21.135,951 44.126,952 27.291,953 28.429,954 25.145,955 25.739,956 6.763,957 317.82,959 317.82,960 121.347,961 36.145,964 129.482,965 224.482,968 74.542,969 46.806,972 317.82,973 57.28,974 100.212,977 317.82,978 27.658,979 75.679,980 18.011,981 36.145,982 317.82,983 57.28,984 100.212,986 0.608,987 0.332,988 0.185,989 0.093,990 21,991 10,992 0.075,993 4,994 2,995 1.333,996 3.347,997 189.581,998 0.333,999 12,1000 99.287,1005 16.631,1006 5.696,1007 3.08,1009 57.28,1010 6.13,1015 3.404,1017 18.011,1018 475.312,1019 29,1024 11.993,1028 -0.39,1031 50.345,1032 57.813,1034 0.242,1035 0.533,1036 0.723,1037 0.824,1038 0.824,1039 0.824,1040 4.741,1041 1.12,1042 5.832,1043 4.04,1044 4.369,1045 4.644,1046 2.351,1047 6.795,1048 4.305,1049 5.987,1050 0.672,1051 7.499,1052 2.988,1053 4.443,1054 4.732,1055 1.847,1056 8.295,1057 4.369,1058 7.352,1059 0.24,1060 9.284,1061 1.38,1062 6.205,1063 6.746,1064 3.504,1065 11.362,1066 6.094,1067 8.746,1068 -0.141,1069 11.141,1070 0.493,1071 7.013,1072 7.525,1073 3.598,1074 13.658,1075 6.905,1076 10.172,1077 -0.449,1078 13.047,1079 -0.346,1080 8.404,1081 9.17,1082 4.907,1083 16.429,1084 8.274,1085 11.619,1086 -0.689,1087 14.988,1088 -1.186,1089 9.5,1090 10.255,1091 5.29,1092 19,1093 9.373,1094 13.084,1095 -0.827,1096 16.956,1097 -1.786,1098 10.794,1099 11.771,1100 6.387,1101 21.712,1102 10.656,1103 3.685,1104 -1,1105 18.946,1106 -2.627,1107 12.003,1108 13.011,1109 6.93,1110 24.371,1111 11.865,1112 3.133,1113 14.943,1114 20.953,1115 -3,1116 13.278,1117 14.474,1118 7.902,1119 27.073,1120 13.134,1121 2.675,1122 10.157,1123 22.973,1124 4.16,1125 14.533,1126 15.798,1127 8.539,1128 29.762,1129 14.387,1130 2.37,1131 8.713,1132 25.004,1133 3.334,1134 15.811,1135 17.238,1136 9.436,1137 32.464,1138 15.66,1139 2.212,1140 7.443,1141 27.043,1142 3.169,1143 17.086,1144 18.607,1145 10.13,1146 35.162,1147 16.931,1148 1.851,1149 6.938,1150 29.09,1151 2.774,1152 18.371,1153 20.037,1154 10.981,1155 37.865,1156 18.21,1157 1.349,1158 5.13,1159 31.141,1160 2.398,1161 19.657,1162 21.431,1163 11.71,1164 40.567,1165 19.491,1166 5152,1167 7231,1168 15.603,1169 31.819,1170 38.978,1171 40.049,1172 40.701,1173 38.607,1174 38.614,1175 44.216,1176 6.705,1177 124.448,1178 37.383,1179 5.743,1180 5.899,1181 7.468,1182 5.753,1183 5.685,1184 7.16,1185 3.889,1186 23.402,1187 5.652,1188 14.669,1189 1.559,1190 1.602,1191 1.628,1192 1.544,1193 1.545,1194 1.769,1195 0.268,1196 4.978,1197 1.495,1198 4.099,1199 4.132,1200 4.038,1201 4.028,1202 7.435,1203 4.026,1204 3.776,1205 3.833,1206 3.68,1207 3.603,1208 4.82,1209 3.608,1210 3.696,1211 3.749,1212 3.584,1213 3.567,1214 4.435,1215 3.563,1216 3.413,1217 3.49,1218 3.252,1219 3.242,1220 4.363,1221 3.223,1222 3.29,1223 3.32,1224 3.158,1225 3.073,1226 4.105,1227 3.083,1228 3.105,1229 3.184,1230 2.949,1231 2.881,1232 3.949,1233 2.895,1234 3.076,1235 3.164,1236 2.819,1237 2.853,1238 3.643,1239 2.852,1240 2.874,1241 3.009,1242 2.583,1243 2.639,1244 3.531,1245 2.615,1246 0.191,1247 0.156,1248 0.317,1249 0.187,1250 0.147,1251 4.78,1252 0.166,1253 3.899,1254 0.087,1255 7.933,1256 0.598,1257 4.675,1258 0.146,1259 3.685,1260 4.16,1261 2.186,1262 14.943,1263 3.652,1264 1.911,1265 1.893,1266 2.014,1267 2,1268 1.312,1269 2.002,1270 1.729,1271 1.666,1272 1.969,1273 1.92,1274 1.219,1275 1.938,1276 1.676,1277 1.623,1278 1.892,1279 1.862,1280 1.155,1281 1.875,1282 1.59,1283 1.518,1284 1.842,1285 1.763,1286 1.071,1287 1.794,1288 1.283,1289 1.213,1290 1.606,1291 1.515,1292 0.828,1293 1.544,1294 1.135,1295 1.087,1296 1.454,1297 1.438,1298 0.597,1299 1.416,1300 0.994,1301 0.933,1302 1.417,1303 1.283,1304 0.469,1305 1.308,1306 0.934,1307 0.804,1308 1.417,1309 1.239,1310 0.469,1311 1.308,1312 3.932,1314 5.333,1315 3.045,1316 6.907,1317 5.587,1318 8.568,1319 7.832,1320 10.286,1322 10.43,1328 4.544,1329 2.838,1330 5.499,1332 0.584,1333 2.576,1334 -0.108,1340 29.321,1341 69.977,1342 154.135,1343 209.181,1344 238.5,1345 238.5,1346 238.5,1347 40.523,1348 7.16,1349 41.57,1350 41.57,1351 16,1352 12.75,1353 3,1354 2.322,1355 36.918,1356 77,1357 69,1358 0.247,1359 180.716,1360 318.3,1361 432.708,1362 10692,1364 16.828,1365 0.732,1366 0.648,1367 16.828,1368 14.902,1369 10.726,1370 0.429,1371 0.344,1372 8.514,1373 10.359,1374 8.069,1375 6.77,1376 10.726,1377 8.602,1378 11.206,1379 0.287,1380 0.208,1381 11.206,1382 8.099,1383 8.197,1384 0.164,1385 0.106,1386 8.197,1387 5.298,1388 7.48,1389 0.105,1390 0.058,1391 7.48,1392 4.124,1393 5.468,1394 0.064,1395 0.033,1396 5.468,1397 2.809,1398 0.381,1399 66.708,1400 0.253,1401 22.261,1402 0.697,1403 128,1404 295.449,1405 139.555,1406 284.95,1407 394.25,1408 266,1409 153,1410 299.627,1411 162.978,1412 304.67,1413 447.67,1414 284,1415 4.904}
{0 CHEMBL340171,1 1.453,2 23.044,3 6.334,4 40.114,5 175.888,6 6.843,7 0.367,8 4.576,9 4.692,10 4.068,11 4.07,12 5.58,13 4.043,14 5.159,15 5.343,16 4.382,17 4.452,18 6.144,19 4.397,20 5.429,21 5.654,22 4.426,23 4.599,24 6.329,25 4.507,26 5.479,27 5.73,28 4.359,29 4.573,30 6.406,31 4.456,32 5.422,33 5.673,34 4.249,35 4.52,36 6.309,37 4.394,38 5.383,39 5.64,40 4.184,41 4.463,42 6.241,43 4.33,44 5.32,45 5.571,46 4.11,47 4.4,48 6.166,49 4.269,50 5.269,51 5.517,52 4.083,53 4.361,54 6.124,55 4.233,56 0.023,57 1.237,58 20.557,59 8.82,60 9.68,61 11.755,62 0.537,63 2.002,64 39.676,65 14.098,66 48.219,67 19.552,68 0.578,69 2.422,70 53.162,71 18.759,72 58.404,73 26.176,74 0.82,75 2.449,76 56.809,77 19.569,78 88.673,79 27.879,80 0.644,81 2.32,82 53.533,83 18.542,84 77.728,85 26.333,86 0.656,87 2.219,88 51.635,89 17.778,90 75.282,91 25.44,92 0.655,93 2.093,94 48.553,95 16.428,96 66.778,97 23.363,98 0.599,99 1.992,100 46.002,101 15.846,102 60.39,103 22.393,104 10,105 64,106 0.216,107 0.486,108 0.694,109 0.835,110 0.883,111 0.89,112 3.831,113 0.99,114 -3.76,115 -3.72,116 -3.54,121 40,123 6,126 1,127 9,144 11,145 3,146 4,159 1,161 1,176 14,179 1,180 14,183 2,185 1,187 15,191 1,192 11,197 1,200 9,205 3,206 14,211 3,214 10,218 1,219 8,224 3,227 9,231 1,232 11,237 2,239 8,243 1,244 9,247 1,251 6,255 1,256 7,259 1,264 9,268 1,269 4,274 1,277 12,281 5741,282 30.965,283 30.965,284 30.965,285 30.965,286 30.965,287 28.583,288 39.005,289 19.179,290 31.745,291 24.298,292 24.298,293 24.298,294 24.298,295 24.298,296 20.577,297 50.576,298 9.274,299 25.501,300 5.039,301 3.227,302 1.831,303 0.886,304 0.564,305 0.519,306 4.538,312 1,313 2259,314 4.95,318 780.952,322 452.435,325 4.088,326 42.014,329 0.75,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.71,337 97.5,338 1037,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 2.186,346 11.061,347 3.18,348 4.105,349 3.665,350 6.011,351 3.724,352 2.762,353 3.688,354 0.916,355 8.529,356 2.661,357 4.048,358 3,359 5.683,360 3.613,361 2.643,362 3.676,363 0.86,364 8.002,365 2.563,366 3.684,367 2.98,368 5.408,369 3.439,370 2.522,371 2.964,372 0.86,373 6.965,374 2.31,375 3.617,376 2.885,377 5.34,378 3.393,379 2.462,380 2.895,381 0.86,382 6.915,383 2.276,384 3.522,385 2.82,386 5.298,387 3.233,388 2.272,389 2.528,390 0.8,391 6.849,392 2.172,393 3.387,394 2.634,395 5.125,396 3.139,397 2.186,398 2.522,399 0.366,400 6.041,401 2.067,402 3.307,403 2.491,404 4.886,405 2.947,406 2.009,407 2.503,408 0.172,409 5.694,410 1.864,411 3.086,412 2.176,413 4.611,414 2.853,415 1.875,416 2.171,418 4.93,419 1.832,420 2.904,421 2.167,422 4.125,423 2.76,424 1.782,425 2.08,427 3.712,428 1.73,429 2.851,430 1.893,431 3.871,432 2.485,433 1.553,434 1.852,436 3.384,437 1.45,438 2.715,439 1.708,440 3.719,441 2.436,442 1.453,443 1.811,445 3.217,446 1.425,447 2.664,448 1.575,449 3.655,450 2.32,451 1.366,452 1.733,454 3.094,455 1.295,456 2.57,457 1.571,458 3.58,459 2.245,460 1.313,461 1.567,463 2.93,464 1.235,465 2.478,466 1.37,467 3.497,468 2.24,469 1.255,470 1.451,472 2.749,473 1.203,474 21.2,475 0.471,476 0.797,477 0.018,478 51.5,479 1.144,480 22.5,481 0.5,482 29,483 0.644,484 45.787,485 1.017,486 50.8,487 0.564,488 42.48,489 0.944,490 10.051,491 0.223,492 11.996,493 0.267,494 0.055,496 0.25,501 0.8,502 1.437,503 0.854,504 1.261,505 0.584,506 1.092,507 1.037,508 1.07,509 1.012,510 1.034,511 0.601,512 1.007,513 1.098,514 1.023,515 0.994,516 1.016,517 0.803,518 0.989,519 0.916,520 0.96,521 0.922,522 0.96,523 0.948,524 0.943,525 1.041,526 0.971,527 0.995,528 0.97,529 1.219,530 0.976,531 0.971,532 0.994,533 0.975,534 0.979,535 0.887,536 0.979,537 1.11,538 0.961,539 1.07,540 0.985,541 1.023,542 1.014,543 1.088,544 0.986,545 1.054,546 1.008,547 1.035,548 1.025,549 7,550 0.239,551 3.111,552 2.563,553 2.004,554 0.903,555 0.705,556 0.389,557 0.332,558 0.189,559 51345,560 119442,561 2.109,562 50,563 6,564 32,567 1,569 4,570 2,572 1.818,573 2.03,574 4.424,575 -0.429,582 130.751,583 1.453,584 3.265,585 4.66,586 5.605,587 5.928,588 5.972,589 3.906,590 5.359,591 5.46,592 4.678,593 4631.04,594 9.621,595 105334,600 584.267,601 1.128,602 5.448,603 0.143,604 0.006,605 0.049,606 0.039,607 0.034,608 0.017,609 0.014,610 0.009,611 0.008,612 0.004,613 0.322,614 0.33,615 0.63,616 0.383,617 277.454,618 -0.005,619 -0.196,620 0.07,621 -0.102,622 0.006,623 -0.019,624 0.017,625 0.071,626 -0.025,627 -0.004,628 0.103,629 -0.013,630 -0.065,632 -0.004,633 -0.012,634 0.019,635 0.002,636 0.074,637 0.01,638 0.07,639 0.02,640 0.111,641 0.042,642 -0.06,643 0.001,644 -0.006,645 0.011,646 -0.066,647 0.011,648 -0.013,649 -0.033,650 0.013,651 -0.003,652 0.003,653 0.008,654 -0.08,655 0.019,656 -0.071,657 -0.016,658 -0.085,659 -0.039,660 -0.064,661 -0.008,662 -0.059,663 -0.029,664 -0.074,665 -0.043,666 2.078,667 5.748,668 0.578,669 88.42,670 0.998,671 1.127,672 2.529,673 6.395,674 0.641,675 3.912,676 4.174,677 4.394,678 4.635,679 4.844,680 4.883,681 4.977,682 5.088,683 5.136,684 5.094,685 13.266,686 0.605,687 615.84,688 3.912,689 5.425,690 6.244,691 7.091,692 7.927,693 8.784,694 9.631,695 10.497,696 11.352,697 12.224,698 3.3,701 2,705 1,715 11,720 7,722 18,727 1,737 1,739 2,741 90,743 20,744 3,745 49,747 94,748 36,749 18,750 7,751 11,752 1,756 5,757 8,770 6,772 20,773 16,777 2,782 2,786 2,793 45,794 9,795 1,796 9,802 3,808 0.6,809 6,829 5,833 2,855 2,858 1,859 3,864 1,868 45,876 15,877 1,878 4,881 2,893 6.7,896 2,897 1,898 3,901 22.167,902 16.067,903 10.111,904 5.804,907 3.596,908 1.409,909 0.96,910 12.833,911 12.397,912 4.111,913 4.59,914 5.07,915 5.592,916 6.093,917 6.292,918 6.615,919 6.966,920 7.234,921 7.412,922 1,923 65,924 16.756,926 6.984,927 0.026,929 7.633,931 32.645,933 26.534,936 2.133,937 96,941 517.928,942 196.68,943 24.259,945 94.289,948 196.68,949 612.218,950 24.259,951 8.396,952 59.629,953 104.239,954 66.423,955 69.779,956 6.763,957 517.928,959 517.928,960 220.939,961 94.289,964 447.302,965 153.916,966 11,968 65.878,969 155.062,972 517.928,973 118.549,974 196.68,977 517.928,978 84.045,979 118.884,980 18.011,981 94.289,982 517.928,983 118.549,984 196.68,986 0.562,987 0.316,988 0.173,989 0.093,990 26,991 11,992 0.181,993 17,994 2,995 1.154,996 5.881,997 413.922,998 0.154,999 26,1000 241.133,1005 33.114,1006 17.439,1007 10.383,1009 118.549,1010 20.283,1015 4.5,1017 18.011,1018 833.157,1019 60,1024 25.048,1028 -0.446,1031 89.825,1032 101.471,1034 0.224,1035 0.503,1036 0.718,1037 0.863,1038 0.913,1039 0.92,1040 5.33,1041 2.009,1042 6.18,1043 6.041,1044 4.86,1045 5.278,1046 2.8,1047 6.911,1048 4.772,1049 6.467,1050 1.875,1051 7.679,1052 5.694,1053 4.205,1054 4.879,1055 1.905,1056 7.633,1057 4.083,1058 7.727,1059 1.782,1060 9.281,1061 4.93,1062 6.365,1063 7.312,1064 3.624,1065 10.757,1066 6.203,1067 9.021,1068 1.553,1069 10.947,1070 3.712,1071 6.567,1072 7.779,1073 3.612,1074 12.388,1075 6.392,1076 10.352,1077 1.453,1078 12.658,1079 3.384,1080 8.14,1081 9.675,1082 4.93,1083 15.021,1084 7.931,1085 11.71,1086 1.366,1087 14.403,1088 3.217,1089 8.788,1090 10.573,1091 5.292,1092 17.064,1093 8.583,1094 13.092,1095 1.313,1096 16.174,1097 3.094,1098 10.099,1099 12.23,1100 6.391,1101 19.538,1102 9.87,1103 3.215,1104 1.255,1105 17.965,1106 2.93,1107 10.988,1108 13.356,1109 6.931,1110 21.773,1111 10.768,1112 2.762,1113 11.061,1114 19.774,1115 2.749,1116 12.186,1117 14.894,1118 7.902,1119 24.195,1120 11.952,1121 2.643,1122 8.529,1123 21.597,1124 4.198,1125 13.202,1126 16.147,1127 8.539,1128 26.52,1129 12.977,1130 2.522,1131 8.002,1132 23.432,1133 3.688,1134 14.358,1135 17.624,1136 9.436,1137 28.926,1138 14.125,1139 2.462,1140 6.965,1141 25.278,1142 3.676,1143 15.44,1144 18.947,1145 10.13,1146 31.291,1147 15.212,1148 2.272,1149 6.915,1150 27.134,1151 2.964,1152 16.585,1153 20.393,1154 10.981,1155 33.693,1156 16.353,1157 2.186,1158 6.849,1159 28.998,1160 2.895,1161 17.702,1162 21.758,1163 11.71,1164 36.078,1165 17.471,1166 47702,1167 73191,1168 33.572,1169 57.733,1170 70.729,1171 73.372,1172 71.767,1173 70.467,1174 70.398,1175 85.565,1176 14.043,1177 188.199,1178 67.303,1179 5.553,1180 5.692,1181 6.664,1182 5.306,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.18,1188 16.79,1189 1.443,1190 1.497,1191 1.465,1192 1.438,1193 1.437,1194 1.746,1195 0.287,1196 3.841,1197 1.374,1198 4.053,1199 4.063,1200 4.016,1201 3.967,1202 7.435,1203 3.977,1204 3.943,1205 3.972,1206 3.88,1207 3.858,1208 7.427,1209 3.858,1210 3.843,1211 3.904,1212 3.716,1213 3.711,1214 4.948,1215 3.708,1216 3.781,1217 3.808,1218 3.713,1219 3.68,1220 4.814,1221 3.673,1222 3.726,1223 3.79,1224 3.588,1225 3.539,1226 4.708,1227 3.542,1228 3.659,1229 3.721,1230 3.526,1231 3.485,1232 4.627,1233 3.484,1234 3.543,1235 3.606,1236 3.416,1237 3.337,1238 4.385,1239 3.339,1240 3.372,1241 3.432,1242 3.245,1243 3.157,1244 4.303,1245 3.17,1246 0.093,1247 0.075,1248 0.138,1249 0.086,1250 0.066,1251 4.553,1252 0.086,1253 3.692,1254 0.045,1255 6.774,1256 0.226,1257 4.203,1258 0.065,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.058,1267 2.084,1268 1.4,1269 2.073,1270 1.911,1271 1.885,1272 2.046,1273 2.025,1274 1.254,1275 2.029,1276 1.808,1277 1.751,1278 2.031,1279 2.007,1280 1.246,1281 2.017,1282 1.775,1283 1.745,1284 1.937,1285 1.918,1286 1.164,1287 1.932,1288 1.701,1289 1.637,1290 1.911,1291 1.887,1292 1.112,1293 1.896,1294 1.638,1295 1.572,1296 1.855,1297 1.818,1298 1.086,1299 1.832,1300 1.509,1301 1.441,1302 1.783,1303 1.742,1304 0.974,1305 1.755,1306 1.33,1307 1.263,1308 1.632,1309 1.582,1310 0.825,1311 1.599,1312 4.595,1314 5.872,1316 7.339,1318 8.903,1320 10.526,1322 2.054,1328 14.188,1329 2.873,1330 22.822,1333 4.679,1340 54.416,1341 130.751,1342 293.82,1343 419.445,1344 504.492,1345 533.512,1346 537.512,1347 95.117,1348 8.802,1349 93.48,1350 93.48,1351 30,1352 12.77,1353 4.392,1354 3.585,1355 77.572,1356 359,1357 376,1358 0.098,1359 331.287,1360 593.56,1361 800.1,1362 134057,1364 31.271,1365 0.695,1366 0.584,1367 31.271,1368 26.301,1369 22.047,1370 0.45,1371 0.33,1372 15.923,1373 21.104,1374 15.612,1375 12.922,1376 22.047,1377 16.167,1378 18.974,1379 0.296,1380 0.183,1381 18.974,1382 11.711,1383 15.28,1384 0.191,1385 0.101,1386 15.28,1387 8.088,1388 12.776,1389 0.125,1390 0.055,1391 12.776,1392 5.643,1393 10.083,1394 0.08,1395 0.03,1396 10.083,1397 3.766,1398 0.167,1399 138.74,1400 0.173,1401 41.771,1402 0.237,1403 226,1404 666.036,1405 251.037,1406 621.456,1407 842.09,1408 586,1409 257,1410 605.472,1411 281.711,1412 605.001,1413 885.25,1414 569,1415 7.582}
{0 CHEMBL340216,1 1.414,2 10.731,3 3.717,4 13.814,5 104.772,6 7.218,7 0.552,8 3.964,9 4.078,10 3.517,11 3.547,12 5.026,13 3.516,14 4.501,15 4.668,16 3.85,17 3.943,18 5.491,19 3.892,20 4.724,21 4.911,22 3.878,23 4.075,24 5.702,25 3.983,26 4.823,27 5.06,28 3.748,29 4.04,30 5.733,31 3.913,32 4.727,33 4.969,34 3.753,35 3.978,36 5.605,37 3.86,38 4.724,39 4.946,40 3.763,41 3.969,42 5.713,43 3.866,44 4.687,45 4.918,46 3.64,47 3.908,48 5.652,49 3.787,50 4.617,51 4.871,52 3.507,53 3.735,54 5.625,55 3.614,56 0.028,57 0.655,58 9.97,59 4.507,60 7.056,61 5.898,62 0.157,63 1.094,64 18.741,65 7.398,66 15.938,67 9.832,68 0.16,69 1.32,70 23.947,71 9.838,72 27.025,73 13.179,74 0.309,75 1.415,76 28.282,77 10.768,78 41.066,79 14.848,80 0.184,81 1.288,82 25.307,83 10.222,84 25.352,85 14.317,86 0.307,87 1.285,88 25.365,89 9.675,90 37.93,91 13.104,92 0.181,93 1.243,94 24.281,95 9.37,96 32.842,97 12.903,98 0.398,99 1.097,100 24.003,101 8.66,102 47.974,103 11.904,104 6,105 40,106 0.238,107 0.6,108 0.775,109 0.859,110 0.869,111 0.869,112 3.304,113 0.919,114 -3.63,115 -3.6,116 -3.43,121 45.8,123 1,126 1,127 3,137 1,138 1,144 8,145 3,146 1,153 1,154 1,158 1,176 11,180 7,185 3,187 12,192 6,197 3,200 9,205 1,206 5,211 1,214 6,219 4,222 1,227 8,232 4,235 2,237 1,239 9,244 4,251 8,255 2,256 5,261 1,264 7,269 1,274 2,277 6,281 1034,282 17.972,283 17.972,284 17.972,285 17.972,286 17.972,287 15.792,288 17.212,289 10.66,290 18.274,291 14.287,292 14.287,293 14.287,294 14.287,295 14.287,296 10.909,297 21.866,298 5.046,299 14.664,300 4.171,301 2.027,302 0.99,303 0.49,304 0.432,305 0.432,306 4.005,310 1,311 1,312 1,313 612,314 2.646,317 54.83,318 233.584,321 102.43,325 1.675,326 17.63,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 55,338 279,339 4.571,340 3.659,341 6.561,342 4.102,343 3.115,344 4.521,345 1.277,346 10.424,347 3.077,348 4.156,349 3.125,350 6.084,351 3.856,352 2.866,353 3.524,354 0.995,355 8.868,356 2.846,357 3.915,358 2.979,359 5.525,360 3.55,361 2.557,362 3.443,363 0.86,364 7.48,365 2.535,366 3.688,367 2.687,368 5.283,369 3.284,370 2.339,371 3.094,372 0.359,373 6.702,374 2.207,375 3.352,376 2.475,377 5.085,378 3.03,379 2.078,380 2.658,382 5.982,383 1.966,384 3.244,385 2.13,386 4.971,387 2.889,388 1.903,389 2.336,391 5.72,392 1.864,393 2.88,394 1.777,395 4.266,396 2.45,397 1.444,398 1.942,400 3.89,401 1.448,402 2.826,403 1.519,404 4.047,405 2.41,406 1.414,407 1.93,409 3.288,410 1.407,411 2.659,412 1.311,413 3.592,414 2.193,415 1.224,416 1.678,418 3.035,419 1.183,420 2.5,421 1.092,422 3.289,423 2,424 1,425 1.5,427 2.136,428 1,429 2.172,430 1.048,431 3.247,432 1.738,433 0.795,434 1.055,436 1.8,437 0.745,438 1.676,439 1,440 2.964,441 1.369,442 0.435,443 0.506,445 0.815,446 0.391,447 1.571,448 0.678,449 2.875,450 1.256,451 0.291,452 0.355,454 0.59,455 0.284,456 1.212,457 0.241,458 2.768,459 0.904,460 -0.065,461 -0.081,463 -0.171,464 -0.063,465 0.9,466 0.012,467 2.284,468 0.561,469 -0.441,470 -0.544,472 -1.006,473 -0.436,474 12.467,475 0.479,476 0.533,477 0.021,478 34,479 1.308,480 17.5,481 0.673,482 16.5,483 0.635,484 19.821,485 0.762,486 27.133,487 0.565,488 24.307,489 0.935,490 6.994,491 0.269,492 5.731,493 0.22,494 0.067,496 0.313,501 0.774,502 1.208,503 0.8,504 1.033,505 0.573,506 0.933,507 1.158,508 0.987,509 0.951,510 0.885,511 0.697,512 0.881,513 1.019,514 1.218,515 1.087,516 1.17,517 1.036,518 1.143,519 1.024,520 1,521 1.068,522 1.003,523 1.292,524 1.034,525 0.578,526 1.03,527 0.829,528 1.015,529 0.61,530 0.963,531 1.117,532 0.966,533 1.022,534 0.973,535 1.314,536 0.987,537 0.99,538 1.115,539 1.083,540 1.131,541 1.179,542 1.114,543 1.111,544 0.824,545 0.949,546 0.86,547 1.334,548 0.881,549 5,550 0.081,551 2.444,552 1.479,553 1.253,554 0.667,555 0.552,556 0.343,557 0.238,558 0.121,559 8378,560 19911,561 2.148,562 45.8,564 18,565 1,567 1,568 2,572 1.691,573 2.053,574 3.411,575 -0.408,577 1,582 67.863,583 1.414,584 3.558,585 4.595,586 5.095,587 5.153,588 5.153,589 2.902,590 4.316,591 4.672,592 3.543,593 1151.36,594 8.097,595 14396.8,597 1,599 1,600 268.078,601 1.239,602 4.65,603 0.172,604 0.005,605 0.061,606 0.038,607 0.038,608 0.02,609 0.016,610 0.012,611 0.01,612 0.006,613 0.377,614 0.5,615 1,616 0.646,617 127.367,618 -0.008,619 -0.098,620 0.061,621 -0.025,622 -0.012,623 0.018,624 -0.141,625 0.103,626 -0.02,627 0.086,628 -0.036,629 0.058,630 -0.086,631 -0.201,632 -0.152,633 -0.182,634 -0.058,635 -0.178,636 -0.044,637 -0.015,638 -0.085,639 -0.032,640 -0.124,641 -0.06,642 0.144,643 -0.064,644 0.132,645 -0.023,646 0.091,647 0.04,648 -0.001,649 0.029,650 -0.035,651 -0.003,652 -0.025,653 -0.024,654 -0.056,655 -0.122,656 -0.11,657 -0.161,658 -0.027,659 -0.141,660 0.161,661 0.121,662 0.087,663 0.102,664 0.115,665 0.091,666 1.424,667 5.448,668 0.808,669 22.734,670 0.994,671 1.116,672 2.401,673 5.765,674 0.678,675 3.401,676 3.714,677 3.989,678 4.248,679 4.489,680 4.533,681 4.663,682 4.796,683 4.812,684 4.883,685 6.31,686 0.64,687 346.46,688 3.401,689 4.934,690 5.784,691 6.655,692 7.522,693 8.4,694 9.274,695 10.155,696 11.033,697 11.917,698 4.2,701 1,706 1,714 2,715 9,717 1,720 3,722 16,739 1,741 48,743 18,744 2,745 29,747 51,748 22,749 14,750 4,751 8,752 3,756 4,757 5,767 1,770 1,772 17,773 5,777 2,782 1,784 1,786 2,790 1,793 22,794 3,795 1,796 4,802 2,808 0.75,809 2,824 1,828 1,829 3,832 1,841 1,849 1,850 1,855 1,859 3,864 1,868 26,876 4,878 1,881 1,893 4.2,896 1,898 1,901 12.667,902 8.867,903 5.75,904 2.814,907 3.554,908 1.471,909 1.016,910 4.806,911 11.096,912 3.689,913 4.287,914 4.886,915 5.466,916 5.998,917 6.298,918 6.711,919 7.108,920 7.228,921 7.538,922 1,923 39,924 9.622,926 4.076,927 0.026,929 7.603,931 18.718,933 15.547,936 2.103,937 54.667,940 1,941 247.193,942 138.719,943 19.91,945 36.145,948 138.719,949 283.338,950 19.91,951 10.883,952 8.852,953 94.334,954 30.278,955 48.283,956 13.915,957 235.422,959 247.193,960 158.629,961 36.145,964 247.193,965 36.145,968 28.761,969 120.391,970 9.476,972 247.193,973 56.055,974 138.719,977 247.193,978 33.502,979 108.341,980 16.786,981 36.145,982 247.193,983 56.055,984 138.719,986 0.576,987 0.338,988 0.182,989 0.103,990 20,991 8,992 0.078,993 4,994 1,995 1.095,996 3.882,997 219.963,998 0.095,999 21,1000 118.211,1005 16.923,1006 7.384,1007 3.708,1008 2.117,1009 39.269,1010 18.301,1012 3.27,1015 3.124,1017 16.786,1018 441.967,1019 39,1024 12.448,1026 2.026,1028 1.113,1031 47.694,1032 53.567,1034 0.253,1035 0.637,1036 0.823,1037 0.912,1038 0.923,1039 0.923,1040 4.913,1041 1.414,1042 5.753,1043 3.89,1044 4.394,1045 4.973,1046 2.053,1047 6.538,1048 4.351,1049 6.111,1050 1.224,1051 7.291,1052 3.288,1053 3.892,1054 4.718,1055 0.325,1056 7.357,1057 3.845,1058 7.412,1059 1,1060 8.926,1061 3.035,1062 5.964,1063 7.181,1064 2.183,1065 10.448,1066 5.889,1067 8.749,1068 0.795,1069 10.618,1070 2.136,1071 6.293,1072 7.804,1073 0.504,1074 12.106,1075 6.22,1076 10.119,1077 0.435,1078 12.347,1079 1.8,1080 7.804,1081 9.71,1082 2.46,1083 14.697,1084 7.709,1085 11.513,1086 0.291,1087 14.102,1088 0.815,1089 8.531,1090 10.769,1091 0.585,1092 16.724,1093 8.438,1094 12.926,1095 -0.065,1096 15.877,1097 0.59,1098 9.806,1099 12.44,1100 2.826,1101 19.14,1102 9.697,1103 3.115,1104 -0.441,1105 17.667,1106 -0.171,1107 10.73,1108 13.724,1109 0.622,1110 21.334,1111 10.62,1112 2.866,1113 10.424,1114 19.47,1115 -1.006,1116 11.904,1117 15.294,1118 3.243,1119 23.689,1120 11.781,1121 2.557,1122 8.868,1123 21.283,1124 4.521,1125 12.925,1126 16.692,1127 0.639,1128 25.958,1129 12.797,1130 2.339,1131 7.48,1132 23.104,1133 3.524,1134 14.059,1135 18.22,1136 3.691,1137 28.294,1138 13.919,1139 2.078,1140 6.702,1141 24.933,1142 3.443,1143 15.128,1144 19.674,1145 0.646,1146 30.599,1147 14.98,1148 1.903,1149 5.982,1150 26.767,1151 3.094,1152 16.248,1153 21.187,1154 4.157,1155 32.931,1156 16.089,1157 1.444,1158 5.72,1159 28.608,1160 2.658,1161 17.342,1162 22.669,1163 0.648,1164 35.252,1165 17.173,1166 7889,1167 12260,1168 19.879,1169 32.534,1170 43.458,1171 44.362,1172 43.875,1173 42.881,1174 42.921,1175 57.085,1176 6.982,1177 121.46,1178 41.909,1179 5.571,1180 5.659,1181 6.363,1182 5.139,1183 5.115,1184 7.521,1185 2.555,1186 17.206,1187 5.077,1188 9.308,1189 1.499,1190 1.53,1191 1.513,1192 1.479,1193 1.48,1194 1.968,1195 0.241,1196 4.188,1197 1.445,1198 4.138,1199 4.168,1200 4.099,1201 4.055,1202 7.427,1203 4.062,1204 3.939,1205 3.979,1206 3.864,1207 3.861,1208 5.008,1209 3.856,1210 3.799,1211 3.834,1212 3.724,1213 3.685,1214 4.754,1215 3.691,1216 3.489,1217 3.528,1218 3.401,1219 3.33,1220 4.633,1221 3.338,1222 3.268,1223 3.326,1224 3.16,1225 3.079,1226 4.307,1227 3.088,1228 3.198,1229 3.266,1230 3.041,1231 3.02,1232 4.053,1233 3.014,1234 3.09,1235 3.18,1236 2.876,1237 2.876,1238 3.893,1239 2.863,1240 2.89,1241 2.96,1242 2.735,1243 2.743,1244 3.677,1245 2.731,1246 0.158,1247 0.126,1248 0.226,1249 0.141,1250 0.107,1251 4.571,1252 0.156,1253 3.659,1254 0.044,1255 6.561,1256 0.359,1257 4.102,1258 0.106,1259 3.115,1260 4.521,1261 1.277,1262 10.424,1263 3.077,1264 1.952,1265 1.931,1266 2.066,1267 2.057,1268 1.301,1269 2.061,1270 1.915,1271 1.887,1272 2.013,1273 2.012,1274 1.156,1275 2.012,1276 1.796,1277 1.762,1278 1.939,1279 1.927,1280 1.093,1281 1.935,1282 1.513,1283 1.457,1284 1.681,1285 1.706,1286 0.835,1287 1.702,1288 1.246,1289 1.185,1290 1.577,1291 1.538,1292 0.693,1293 1.549,1294 1.201,1295 1.139,1296 1.476,1297 1.426,1298 0.582,1299 1.44,1300 1.12,1301 1.043,1302 1.402,1303 1.34,1304 0.562,1305 1.372,1306 0.907,1307 0.838,1308 1.181,1309 1.097,1310 0.283,1311 1.129,1312 4.078,1314 5.389,1315 2.398,1316 6.897,1317 4.727,1318 8.49,1319 6.823,1320 10.128,1322 1.665,1328 2.939,1330 5.331,1333 2.331,1340 30.74,1341 67.863,1342 170.805,1343 220.568,1344 244.568,1345 247.323,1346 247.323,1347 36.789,1348 7.542,1349 45.33,1350 45.33,1351 23,1352 12.452,1353 4.248,1354 3.459,1355 38.032,1356 97,1357 98,1358 0.188,1359 187.463,1360 322.84,1361 449.169,1362 20182,1364 17.933,1365 0.69,1366 0.572,1367 17.933,1368 14.866,1369 12.725,1370 0.439,1371 0.306,1372 8.774,1373 12.334,1374 8.53,1375 7.074,1376 12.725,1377 8.879,1378 11.241,1379 0.281,1380 0.167,1381 11.241,1382 6.695,1383 9.716,1384 0.183,1385 0.093,1386 9.716,1387 4.907,1388 7.939,1389 0.115,1390 0.051,1391 7.939,1392 3.486,1393 6.655,1394 0.076,1395 0.028,1396 6.655,1397 2.464,1398 0.295,1399 79.107,1400 0.224,1401 25.139,1402 0.517,1403 138,1404 361.449,1405 146.785,1406 352.231,1407 485.2,1408 332,1409 162,1410 353.266,1411 171.48,1412 364.088,1413 528.21,1414 341,1415 5.222}
{0 CHEMBL340228,1 1.465,2 22.295,3 5.877,4 34.544,5 171.287,6 6.917,7 0.375,8 4.545,9 4.661,10 4.048,11 4.039,12 5.56,13 4.016,14 5.126,15 5.308,16 4.365,17 4.42,18 6.124,19 4.37,20 5.392,21 5.612,22 4.409,23 4.567,24 6.306,25 4.481,26 5.443,27 5.691,28 4.342,29 4.541,30 6.386,31 4.428,32 5.384,33 5.632,34 4.229,35 4.485,36 6.287,37 4.364,38 5.344,39 5.598,40 4.163,41 4.426,42 6.217,43 4.298,44 5.278,45 5.526,46 4.088,47 4.362,48 6.141,49 4.236,50 5.224,51 5.465,52 4.062,53 4.319,54 6.094,55 4.197,56 0.014,57 1.198,58 19.654,59 8.481,60 9.488,61 11.227,62 0.527,63 1.939,64 38.141,65 13.523,66 47.662,67 18.633,68 0.563,69 2.342,70 51.078,71 18.016,72 57.55,73 24.967,74 0.806,75 2.371,76 54.872,77 18.851,78 88.136,79 26.735,80 0.633,81 2.241,82 51.606,83 17.82,84 77.705,85 25.18,86 0.644,87 2.14,88 49.732,89 17.06,90 75.18,91 24.301,92 0.669,93 2.016,94 46.643,95 15.815,96 66.982,97 22.262,98 0.534,99 1.907,100 43.846,101 15.147,102 58.854,103 21.328,104 10,105 63,106 0.219,107 0.494,108 0.703,109 0.841,110 0.882,111 0.889,112 3.809,113 0.979,114 -3.58,115 -3.55,116 -3.39,121 40.2,123 5,126 1,127 9,144 11,145 3,146 4,159 1,161 1,176 13,179 1,180 14,183 2,185 1,187 14,191 1,192 11,197 1,200 8,205 3,206 14,211 3,214 9,218 1,219 8,224 3,227 9,231 1,232 10,237 1,239 8,243 1,244 9,247 2,251 6,255 1,256 5,264 9,268 3,269 3,274 1,277 12,281 5266,282 30.258,283 30.258,284 30.258,285 30.258,286 30.258,287 27.875,288 39.005,289 18.679,290 31.038,291 23.798,292 23.798,293 23.798,294 23.798,295 23.798,296 20.077,297 50.576,298 9.024,299 25.001,300 4.978,301 3.146,302 1.75,303 0.831,304 0.56,305 0.514,306 4.517,312 1,313 2140,314 4.848,318 754.685,322 437.064,325 3.918,326 41.862,329 0.75,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.71,337 95.5,338 981,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 2.186,346 11.061,347 3.18,348 4.105,349 3.665,350 6.011,351 3.724,352 2.762,353 3.688,354 0.916,355 8.529,356 2.661,357 4.048,358 3,359 5.683,360 3.613,361 2.643,362 3.676,363 0.86,364 8.002,365 2.563,366 3.684,367 2.98,368 5.408,369 3.439,370 2.522,371 2.964,372 0.86,373 6.965,374 2.31,375 3.617,376 2.885,377 5.34,378 3.393,379 2.462,380 2.895,381 0.86,382 6.915,383 2.275,384 3.522,385 2.82,386 5.298,387 3.233,388 2.272,389 2.528,390 0.8,391 6.849,392 2.172,393 3.387,394 2.634,395 5.125,396 3.139,397 2.186,398 2.521,399 0.366,400 6.041,401 2.066,402 3.307,403 2.491,404 4.886,405 2.947,406 2.009,407 2.503,408 0.172,409 5.694,410 1.862,411 3.086,412 2.176,413 4.611,414 2.829,415 1.859,416 2.171,418 4.93,419 1.8,420 2.904,421 2.167,422 4.125,423 2.734,424 1.753,425 2.08,427 3.638,428 1.711,429 2.813,430 1.867,431 3.841,432 2.437,433 1.513,434 1.814,436 3.384,437 1.426,438 2.715,439 1.708,440 3.719,441 2.418,442 1.452,443 1.811,445 3.149,446 1.368,447 2.663,448 1.571,449 3.624,450 2.318,451 1.362,452 1.731,454 3.094,455 1.293,456 2.528,457 1.471,458 3.579,459 2.242,460 1.256,461 1.524,463 2.928,464 1.235,465 2.478,466 1.37,467 3.494,468 2.178,469 1.212,470 1.451,472 2.622,473 1.169,474 20.7,475 0.47,476 0.797,477 0.018,478 51,479 1.159,480 22.5,481 0.511,482 28.5,483 0.648,484 43.793,485 0.995,486 49.5,487 0.569,488 42.2,489 0.959,490 10.051,491 0.228,492 11.496,493 0.261,494 0.056,496 0.256,501 0.801,502 1.435,503 0.842,504 1.255,505 0.584,506 1.082,507 1.042,508 1.057,509 1.004,510 1.019,511 0.603,512 0.992,513 1.11,514 1.025,515 1,516 1.018,517 0.812,518 0.992,519 0.924,520 0.96,521 0.925,522 0.959,523 0.957,524 0.944,525 1.052,526 0.971,527 1.001,528 0.97,529 1.233,530 0.977,531 0.983,532 0.996,533 0.981,534 0.98,535 0.898,536 0.981,537 1.114,538 0.923,539 1.079,540 0.977,541 1.037,542 1.016,543 1.093,544 1.075,545 1.054,546 1.052,547 1.046,548 1.052,549 7,550 0.223,551 3.111,552 2.563,553 2.004,554 0.903,555 0.705,556 0.389,557 0.308,558 0.229,559 47668,560 112811,561 2.111,562 49.4,563 4,564 32,567 1,569 4,570 2,572 1.813,573 2.031,574 4.378,575 -0.422,582 127.417,583 1.465,584 3.297,585 4.693,586 5.612,587 5.883,588 5.929,589 3.848,590 5.033,591 5.428,592 4.628,593 4378.55,594 9.558,595 96874.6,600 560.536,601 1.141,602 5.415,603 0.146,604 0.005,605 0.049,606 0.04,607 0.035,608 0.017,609 0.015,610 0.009,611 0.007,612 0.005,613 0.329,614 0.33,615 0.63,616 0.388,617 268.9,618 -0.009,619 -0.201,620 0.07,621 -0.105,622 0.002,623 -0.02,624 0.011,625 0.082,626 -0.023,627 0.005,628 0.099,629 -0.006,630 -0.073,631 -0.001,632 -0.011,633 -0.015,634 0.012,635 -0.002,636 0.07,637 0.011,638 0.068,639 0.02,640 0.106,641 0.042,642 -0.066,644 -0.011,645 0.01,646 -0.074,647 0.009,648 -0.019,649 -0.034,650 0.009,651 -0.003,652 -0.003,653 0.006,654 -0.075,655 0.059,656 -0.079,657 -0.01,658 -0.091,659 -0.042,660 -0.071,661 -0.103,662 -0.061,663 -0.067,664 -0.078,665 -0.067,666 2.081,667 5.742,668 0.591,669 82.744,670 0.999,671 1.127,672 2.35,673 5.522,674 0.643,675 3.892,676 4.159,677 4.382,678 4.625,679 4.836,680 4.875,681 4.97,682 5.081,683 5.13,684 5.094,685 12.835,686 0.608,687 601.81,688 3.892,689 5.407,690 6.229,691 7.077,692 7.915,693 8.774,694 9.623,695 10.49,696 11.346,697 12.219,698 3.4,701 2,705 1,715 11,720 7,722 18,727 1,737 1,739 2,741 87,743 20,744 3,745 48,747 91,748 35,749 18,750 7,751 11,752 1,756 5,757 8,770 5,772 20,773 15,777 2,782 2,786 2,793 43,794 9,795 1,796 9,802 3,808 0.6,809 6,829 5,833 2,855 2,858 1,859 3,864 1,868 44,876 14,877 1,878 4,881 2,893 6.9,896 2,897 1,898 3,901 21.667,902 15.567,903 9.861,904 5.554,907 3.595,908 1.41,909 0.962,910 12.208,911 12.364,912 4.094,913 4.58,914 5.064,915 5.589,916 6.09,917 6.29,918 6.614,919 6.965,920 7.233,921 7.413,922 0.933,923 64,924 16.378,926 6.84,927 0.026,929 7.648,931 31.828,933 25.868,936 2.148,937 94.5,941 494.386,942 194.146,943 24.259,945 94.289,948 194.146,949 588.676,950 24.259,951 8.396,952 57.095,953 104.239,954 66.423,955 69.779,956 6.763,957 494.386,959 494.386,960 218.405,961 94.289,964 423.76,965 153.916,966 11,968 63.343,969 155.062,972 494.386,973 118.549,974 194.146,977 494.386,978 81.51,979 118.884,980 18.011,981 94.289,982 494.386,983 118.549,984 194.146,986 0.564,987 0.317,988 0.174,989 0.094,990 26,991 11,992 0.176,993 16,994 2,995 1.154,996 5.772,997 404.644,998 0.154,999 26,1000 236.215,1005 32.143,1006 16.712,1007 9.874,1009 118.549,1010 20.267,1015 4.493,1017 18.011,1018 807.081,1019 59,1024 25.024,1028 -0.451,1031 86.941,1032 98.055,1034 0.227,1035 0.512,1036 0.728,1037 0.871,1038 0.913,1039 0.92,1040 5.316,1041 2.009,1042 6.168,1043 6.041,1044 4.844,1045 5.268,1046 2.8,1047 6.903,1048 4.755,1049 6.456,1050 1.859,1051 7.67,1052 5.694,1053 4.205,1054 4.879,1055 1.905,1056 7.633,1057 4.083,1058 7.719,1059 1.753,1060 9.274,1061 4.93,1062 6.354,1063 7.308,1064 3.624,1065 10.755,1066 6.191,1067 9.014,1068 1.513,1069 10.942,1070 3.638,1071 6.567,1072 7.779,1073 3.612,1074 12.388,1075 6.392,1076 10.348,1077 1.452,1078 12.656,1079 3.384,1080 8.134,1081 9.674,1082 4.93,1083 15.021,1084 7.924,1085 11.707,1086 1.362,1087 14.401,1088 3.149,1089 8.788,1090 10.573,1091 5.292,1092 17.064,1093 8.583,1094 13.089,1095 1.256,1096 16.173,1097 3.094,1098 10.096,1099 12.23,1100 6.391,1101 19.538,1102 9.866,1103 3.215,1104 1.212,1105 17.964,1106 2.928,1107 10.988,1108 13.356,1109 6.931,1110 21.773,1111 10.768,1112 2.762,1113 11.061,1114 19.773,1115 2.622,1116 12.185,1117 14.894,1118 7.902,1119 24.195,1120 11.95,1121 2.643,1122 8.529,1123 21.596,1124 4.198,1125 13.202,1126 16.147,1127 8.539,1128 26.52,1129 12.977,1130 2.522,1131 8.002,1132 23.432,1133 3.688,1134 14.357,1135 17.624,1136 9.436,1137 28.926,1138 14.125,1139 2.462,1140 6.965,1141 25.278,1142 3.676,1143 15.44,1144 18.947,1145 10.13,1146 31.291,1147 15.212,1148 2.272,1149 6.915,1150 27.134,1151 2.964,1152 16.584,1153 20.393,1154 10.981,1155 33.693,1156 16.352,1157 2.186,1158 6.849,1159 28.998,1160 2.895,1161 17.702,1162 21.758,1163 11.71,1164 36.078,1165 17.471,1166 44237,1167 68431,1168 32.879,1169 55.972,1170 69.55,1171 72.073,1172 70.473,1173 69.077,1174 69.001,1175 84.165,1176 14.043,1177 185.368,1178 65.914,1179 5.553,1180 5.692,1181 6.638,1182 5.306,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.18,1188 16.513,1189 1.449,1190 1.502,1191 1.468,1192 1.439,1193 1.438,1194 1.753,1195 0.293,1196 3.862,1197 1.373,1198 4.052,1199 4.063,1200 4.016,1201 3.967,1202 7.435,1203 3.976,1204 3.943,1205 3.972,1206 3.88,1207 3.857,1208 7.427,1209 3.858,1210 3.839,1211 3.901,1212 3.716,1213 3.711,1214 4.948,1215 3.708,1216 3.781,1217 3.807,1218 3.711,1219 3.668,1220 4.814,1221 3.664,1222 3.707,1223 3.772,1224 3.575,1225 3.515,1226 4.708,1227 3.519,1228 3.657,1229 3.72,1230 3.521,1231 3.485,1232 4.627,1233 3.483,1234 3.5,1235 3.558,1236 3.381,1237 3.271,1238 4.385,1239 3.282,1240 3.362,1241 3.427,1242 3.239,1243 3.153,1244 4.302,1245 3.162,1246 0.095,1247 0.077,1248 0.141,1249 0.088,1250 0.067,1251 4.553,1252 0.087,1253 3.692,1254 0.046,1255 6.774,1256 0.23,1257 4.203,1258 0.066,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.058,1267 2.084,1268 1.383,1269 2.073,1270 1.911,1271 1.885,1272 2.037,1273 2.025,1274 1.254,1275 2.029,1276 1.799,1277 1.751,1278 2.029,1279 2.006,1280 1.221,1281 2.014,1282 1.775,1283 1.735,1284 1.919,1285 1.905,1286 1.164,1287 1.914,1288 1.679,1289 1.615,1290 1.91,1291 1.883,1292 1.112,1293 1.894,1294 1.638,1295 1.572,1296 1.855,1297 1.816,1298 1.015,1299 1.831,1300 1.446,1301 1.379,1302 1.724,1303 1.699,1304 0.974,1305 1.705,1306 1.328,1307 1.259,1308 1.632,1309 1.577,1310 0.825,1311 1.597,1312 4.575,1314 5.855,1316 7.326,1318 8.894,1320 10.519,1322 2.053,1328 12.788,1329 2.866,1330 22.802,1333 4.657,1340 52.889,1341 127.417,1342 286.874,1343 408.269,1344 488.271,1345 511.781,1346 515.781,1347 91.369,1348 8.769,1349 93.48,1350 93.48,1351 30,1352 12.764,1353 4.392,1354 3.585,1355 74.888,1356 341,1357 352,1358 0.1,1359 321.694,1360 576.26,1361 776.694,1362 126841,1364 30.564,1365 0.695,1366 0.582,1367 30.564,1368 25.594,1369 21.547,1370 0.449,1371 0.326,1372 15.423,1373 20.604,1374 15.122,1375 12.505,1376 21.547,1377 15.667,1378 18.62,1379 0.296,1380 0.18,1381 18.62,1382 11.357,1383 15.03,1384 0.19,1385 0.099,1386 15.03,1387 7.838,1388 12.6,1389 0.125,1390 0.054,1391 12.6,1392 5.466,1393 9.958,1394 0.08,1395 0.029,1396 9.958,1397 3.641,1398 0.17,1399 135.74,1400 0.174,1401 40.932,1402 0.243,1403 222,1404 662.036,1405 247.037,1406 617.294,1407 836.33,1408 582,1409 253,1410 601.472,1411 277.711,1412 600.839,1413 879.49,1414 565,1415 7.676}
{0 CHEMBL340391,1 1.436,2 10.407,3 4.869,4 23.711,5 107.816,6 6.769,7 0.4,8 4.075,9 4.203,10 3.573,11 3.597,12 5.079,13 3.563,14 4.657,15 4.852,16 3.988,17 4.035,18 5.627,19 3.982,20 4.912,21 5.107,22 4.084,23 4.24,24 5.813,25 4.156,26 5.103,27 5.352,28 4.009,29 4.279,30 5.983,31 4.158,32 5.08,33 5.331,34 3.836,35 4.16,36 6.014,37 4.009,38 4.983,39 5.285,40 3.613,41 3.877,42 5.857,43 3.735,44 4.483,45 4.692,46 3.524,47 3.631,48 5.548,49 3.563,50 4.399,51 4.595,52 3.476,53 3.641,54 5.503,55 3.564,56 0.039,57 0.786,58 12.459,59 5.066,60 9.119,61 7.086,62 0.406,63 1.311,64 23.733,65 8.436,66 34.019,67 12.241,68 0.197,69 1.647,70 30.334,71 11.396,72 26.798,73 16.292,74 0.341,75 1.864,76 37.962,77 12.859,78 41.887,79 19.074,80 0.349,81 1.673,82 37.455,83 13.363,84 53.372,85 19.098,86 0.535,87 1.323,88 35.837,89 11.445,90 64.224,91 16.299,92 0.375,93 0.915,94 21.036,95 6.919,96 39.967,97 9.317,98 0.335,99 0.917,100 18.943,101 6.229,102 38.911,103 8.646,104 27,105 45,106 0.239,107 0.564,108 0.772,109 0.87,110 0.882,111 0.882,112 3.34,113 0.958,114 -4.75,115 -4.66,116 -4.38,121 40.7,122 2,123 2,125 1,126 2,127 1,130 1,144 7,145 2,146 3,161 1,176 11,179 2,180 7,183 2,185 2,187 12,192 8,197 3,200 10,206 9,211 4,214 6,218 1,219 11,224 2,227 3,231 1,232 5,237 1,239 4,243 1,244 2,247 1,249 2,251 10,255 1,259 1,264 12,269 2,277 11,281 1024,282 18.057,283 18.057,284 18.057,285 18.057,286 18.057,287 16.49,288 26.604,289 10.248,290 18.417,291 14.698,292 14.698,293 14.698,294 14.698,295 14.698,296 12.226,297 35.698,298 4.725,299 15.277,300 4.319,301 2.371,302 1.124,303 0.537,304 0.463,305 0.463,306 4.031,311 1,312 1,313 613,314 3.606,317 105.044,318 146.967,320 84.76,321 89.553,324 125.4,325 1.547,326 18.911,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 57.5,338 281,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 4.217,349 3.68,350 6.211,351 3.851,352 2.875,353 3.813,354 0.966,355 9.097,356 2.809,357 3.971,358 2.973,359 6.169,360 3.626,361 2.667,362 3.314,363 0.693,364 8.824,365 2.554,366 3.657,367 2.815,368 6.153,369 3.386,370 2.447,371 2.871,372 0.366,373 8.457,374 2.283,375 3.466,376 2.742,377 5.443,378 3.278,379 2.343,380 2.594,382 7.152,383 2.176,384 3.297,385 2.502,386 4.881,387 2.95,388 1.983,389 2.424,391 5.512,392 1.9,393 2.917,394 1.803,395 4.716,396 2.522,397 1.535,398 2.088,400 4.411,401 1.517,402 2.832,403 1.745,404 4.243,405 2.437,406 1.479,407 1.945,409 3.815,410 1.411,411 2.615,412 1.494,413 4.205,414 2.355,415 1.369,416 1.629,418 3.06,419 1.341,420 2.517,421 1.171,422 3.722,423 2.127,424 1.133,425 1.521,427 3.004,428 1.126,429 1.786,430 0.933,431 3.616,432 1.695,433 0.73,434 0.762,436 1.822,437 0.702,438 1.73,439 0.751,440 3.088,441 1.526,442 0.531,443 0.616,445 0.904,446 0.527,447 1.242,448 0.631,449 2.996,450 0.968,451 0.047,452 0.053,454 0.112,455 0.043,456 1.139,457 0.285,458 2.717,459 0.774,460 -0.218,461 -0.256,463 -0.476,464 -0.212,465 0.762,466 -0.017,467 2.584,468 0.638,469 -0.307,470 -0.335,472 -0.75,473 -0.289,474 12.867,475 0.477,476 0.822,477 0.03,478 32.75,479 1.213,480 15,481 0.556,482 17.75,483 0.657,484 25.503,485 0.945,486 29.733,487 0.551,488 24.148,489 0.894,490 6.146,491 0.228,492 6.79,493 0.251,494 0.181,495 0.039,496 0.334,501 0.812,502 1.441,503 0.864,504 1.184,505 0.639,506 1.049,507 0.704,508 0.9,509 0.81,510 0.81,511 0.405,512 0.806,513 0.984,514 1.331,515 1.029,516 1.188,517 0.71,518 1.126,519 1.045,520 1.047,521 1.094,522 1.057,523 0.697,524 1.06,525 1.107,526 1.169,527 1.118,528 1.251,529 1.265,530 1.199,531 1.621,532 0.629,533 0.81,534 0.642,535 1.592,536 0.645,537 2.13,538 0.884,539 1.111,540 0.855,541 2.313,542 0.885,543 1.875,544 0.919,545 1.28,546 0.935,547 2.644,548 1.026,549 6.5,550 0.212,551 4.222,552 3.646,553 1.708,554 0.882,555 0.612,556 0.3,557 0.286,558 0.256,559 8829,560 18409,561 2.066,562 50,563 8,564 15,565 1,567 1,569 2,572 1.699,573 1.895,574 3.323,575 -0.382,582 77.52,583 1.436,584 3.384,585 4.631,586 5.217,587 5.292,588 5.292,589 2.707,590 4.505,591 4.73,592 3.513,593 1232.91,594 8.199,595 15709.8,597 1,600 310.764,601 1.675,602 4.66,603 0.217,604 0.009,605 0.094,606 0.076,607 0.041,608 0.028,609 0.023,610 0.012,611 0.011,612 0.011,613 0.521,614 0.33,615 1,616 0.803,617 133.333,618 0.003,619 -0.213,620 0.075,621 -0.076,622 -0.045,623 -0.006,624 0.291,625 0.256,626 0.171,627 0.202,628 0.242,629 0.18,630 -0.061,631 -0.235,632 -0.067,633 -0.15,634 -0.007,635 -0.118,636 -0.103,637 -0.001,638 -0.113,639 -0.094,640 0.052,641 -0.094,642 0.011,643 -0.223,644 -0.128,645 -0.271,646 -0.031,647 -0.222,648 -0.031,649 0.174,650 0.248,651 0.273,652 -0.033,653 0.289,654 -0.143,655 0.075,656 -0.034,657 0.113,658 -0.184,659 0.05,660 -0.2,661 0.154,662 -0.235,663 0.037,664 -0.295,665 -0.088,666 2.118,667 5.422,668 0.667,669 22.442,670 0.992,671 1.128,672 3.52,673 12.394,674 0.649,675 3.434,676 3.829,677 4.174,678 4.511,679 4.7,680 4.762,681 4.927,682 4.997,683 5.004,684 5.088,685 6.328,686 0.608,687 365.52,688 3.434,689 5.017,690 5.911,691 6.841,692 7.756,693 8.694,694 9.621,695 10.565,696 11.501,697 12.449,698 5.6,701 1,704 1,705 1,715 7,720 5,722 12,736 1,737 1,741 54,743 13,744 2,745 30,747 57,748 22,749 12,750 5,751 7,756 4,757 7,763 2,764 1,766 1,767 1,770 2,772 13,773 9,777 1,782 1,786 1,793 27,794 5,795 1,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 4,868 27,876 3,877 1,878 1,880 1,881 2,882 1,893 3.7,896 1,898 1,901 14.25,902 10.9,903 5.847,904 3.399,907 2.24,908 1.29,909 0.963,910 4.647,911 9.971,912 3.638,913 4.22,914 4.762,915 5.314,916 5.79,917 5.944,918 6.269,919 6.522,920 6.652,921 6.869,922 0.857,923 48,924 10.022,926 4.292,927 0.026,929 7.577,931 19.595,933 16.643,936 2.077,937 56.083,939 1,940 1,941 306.049,942 131.842,943 24.259,945 36.145,948 131.842,949 342.193,950 24.259,951 34.443,952 25.186,953 66.334,954 25.145,955 34.377,956 18.534,957 294.278,959 306.049,960 156.102,961 36.145,964 282.506,965 59.687,968 45.96,969 110.141,972 306.049,973 60.404,974 131.842,977 306.049,978 31.065,979 107.026,980 18.011,981 36.145,982 306.049,983 60.404,984 131.842,986 0.595,987 0.369,988 0.21,989 0.108,990 24,991 11,992 0.07,993 4,994 2,995 1.222,996 3.782,997 241.612,998 0.222,999 18,1000 128.382,1005 18.33,1006 6.844,1007 3.01,1009 60.404,1010 13.784,1015 4.964,1017 18.011,1018 498.295,1019 37,1024 12.422,1028 -0.451,1031 53.563,1032 60.896,1034 0.249,1035 0.588,1036 0.805,1037 0.907,1038 0.919,1039 0.919,1040 4.934,1041 1.479,1042 5.958,1043 4.411,1044 4.511,1045 4.905,1046 2.466,1047 6.905,1048 4.437,1049 6.156,1050 1.369,1051 7.609,1052 3.815,1053 4.369,1054 4.808,1055 1.905,1056 8.278,1057 4.268,1058 7.497,1059 1.133,1060 9.378,1061 3.06,1062 6.267,1063 7.04,1064 3.531,1065 11.446,1066 6.133,1067 8.876,1068 0.73,1069 11.224,1070 3.004,1071 6.967,1072 7.713,1073 3.612,1074 13.722,1075 6.819,1076 10.291,1077 0.531,1078 13.122,1079 1.822,1080 8.416,1081 9.489,1082 4.913,1083 16.542,1084 8.245,1085 11.733,1086 0.047,1087 15.06,1088 0.904,1089 9.48,1090 10.519,1091 5.293,1092 19.134,1093 9.298,1094 13.198,1095 -0.218,1096 17.029,1097 0.112,1098 10.803,1099 12.109,1100 6.388,1101 21.88,1102 10.602,1103 3.737,1104 -0.307,1105 19.022,1106 -0.476,1107 12.016,1108 13.318,1109 6.931,1110 24.568,1111 11.801,1112 2.875,1113 15.306,1114 21.034,1115 -0.75,1116 13.316,1117 14.821,1118 7.902,1119 27.3,1120 13.083,1121 2.667,1122 9.097,1123 23.062,1124 4.206,1125 14.588,1126 16.126,1127 8.539,1128 30.016,1129 14.338,1130 2.447,1131 8.824,1132 25.101,1133 3.813,1134 15.89,1135 17.587,1136 9.436,1137 32.745,1138 15.62,1139 2.343,1140 8.457,1141 27.149,1142 3.314,1143 17.187,1144 18.944,1145 10.13,1146 35.469,1147 16.898,1148 1.983,1149 7.152,1150 29.205,1151 2.871,1152 18.494,1153 20.384,1154 10.981,1155 38.198,1156 18.185,1157 1.535,1158 5.512,1159 31.266,1160 2.594,1161 19.801,1162 21.77,1163 11.71,1164 40.925,1165 19.472,1166 8425,1167 12309,1168 19.592,1169 35.063,1170 46.095,1171 46.904,1172 48.905,1173 45.735,1174 45.75,1175 55.669,1176 8.422,1177 142.95,1178 44.089,1179 5.797,1180 5.973,1181 7.7,1182 5.806,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 14.732,1189 1.536,1190 1.563,1191 1.63,1192 1.525,1193 1.525,1194 1.856,1195 0.281,1196 4.765,1197 1.47,1198 4.093,1199 4.131,1200 4.04,1201 3.997,1202 7.435,1203 4.003,1204 3.937,1205 3.971,1206 3.874,1207 3.867,1208 4.843,1209 3.864,1210 3.7,1211 3.742,1212 3.617,1213 3.563,1214 4.738,1215 3.566,1216 3.411,1217 3.478,1218 3.34,1219 3.242,1220 4.445,1221 3.216,1222 3.377,1223 3.433,1224 3.179,1225 3.113,1226 4.143,1227 3.158,1228 3.272,1229 3.362,1230 3.101,1231 3.046,1232 4.021,1233 3.042,1234 3.227,1235 3.31,1236 3.036,1237 2.995,1238 3.928,1239 3.006,1240 2.976,1241 3.093,1242 2.71,1243 2.761,1244 3.887,1245 2.727,1246 0.161,1247 0.132,1248 0.267,1249 0.157,1250 0.125,1251 4.832,1252 0.14,1253 3.973,1254 0.073,1255 8.006,1256 0.51,1257 4.714,1258 0.122,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.928,1265 1.901,1266 2.051,1267 2.03,1268 1.31,1269 2.035,1270 1.899,1271 1.878,1272 2.003,1273 1.982,1274 1.211,1275 1.99,1276 1.633,1277 1.577,1278 1.832,1279 1.836,1280 1.057,1281 1.837,1282 1.534,1283 1.453,1284 1.787,1285 1.755,1286 1.012,1287 1.775,1288 1.423,1289 1.346,1290 1.738,1291 1.629,1292 0.841,1293 1.668,1294 1.255,1295 1.204,1296 1.58,1297 1.557,1298 0.644,1299 1.545,1300 1.152,1301 1.081,1302 1.453,1303 1.443,1304 0.563,1305 1.434,1306 1.014,1307 0.899,1308 1.315,1309 1.291,1310 0.347,1311 1.353,1312 4.111,1314 5.485,1315 3.045,1316 7.06,1317 5.638,1318 8.734,1319 7.921,1320 10.465,1322 8.698,1328 3.032,1329 2.87,1330 5.616,1332 0.355,1333 4.735,1334 0.059,1340 32.815,1341 77.52,1342 182.75,1343 250.093,1344 281.744,1345 285.744,1346 285.744,1347 41.731,1348 7.731,1349 44.81,1350 44.81,1351 22,1352 12.942,1353 3.807,1354 3,1355 40.369,1356 104,1357 93,1358 0.193,1359 200.112,1360 350.02,1361 480.033,1362 24201,1364 19.181,1365 0.71,1366 0.609,1367 19.181,1368 16.451,1369 12.936,1370 0.431,1371 0.319,1372 9.458,1373 12.483,1374 9.079,1375 7.585,1376 12.936,1377 9.581,1378 12.146,1379 0.27,1380 0.174,1381 12.146,1382 7.837,1383 10.646,1384 0.166,1385 0.096,1386 10.646,1387 6.147,1388 9.55,1389 0.106,1390 0.053,1391 9.55,1392 4.812,1393 7.354,1394 0.067,1395 0.029,1396 7.354,1397 3.132,1398 0.302,1399 80.698,1400 0.226,1401 25.743,1402 0.529,1403 150,1404 371.094,1405 163.359,1406 359.894,1407 504.39,1408 338,1409 184,1410 386.092,1411 197.808,1412 392.997,1413 582.37,1414 368,1415 8}
{0 CHEMBL340409,1 1.391,2 8.65,3 2.825,4 7.979,5 81.859,6 7.01,7 0.5,8 3.719,9 3.845,10 3.246,11 3.306,12 4.758,13 3.265,14 4.25,15 4.43,16 3.55,17 3.687,18 5.221,19 3.619,20 4.497,21 4.715,22 3.484,23 3.773,24 5.422,25 3.649,26 4.543,27 4.808,28 3.366,29 3.684,30 5.413,31 3.54,32 4.386,33 4.628,34 3.419,35 3.647,36 5.3,37 3.529,38 4.453,39 4.695,40 3.362,41 3.649,42 5.426,43 3.524,44 4.339,45 4.607,46 3.075,47 3.501,48 5.225,49 3.336,50 4.102,51 4.387,52 2.807,53 3.202,54 5.016,55 3.03,56 0.031,57 0.534,58 8.125,59 3.503,60 5.375,61 4.799,62 0.101,63 0.885,64 14.787,65 5.697,66 10.813,67 8.006,68 0.143,69 1.049,70 19.819,71 7.74,72 23.236,73 10.8,74 0.257,75 1.039,76 21.946,77 8.059,78 33.938,79 11.415,80 0.192,81 0.939,82 18.01,83 6.958,84 21.479,85 9.911,86 0.184,87 0.966,88 19.645,89 7.278,90 32.098,91 10.131,92 0.154,93 0.848,94 17.677,95 6.716,96 26.611,97 9.535,98 0.107,99 0.638,100 14.141,101 5.518,102 23.764,103 7.805,104 2,105 29,106 0.25,107 0.592,108 0.761,109 0.854,110 0.867,111 0.867,112 3.057,113 0.947,114 -3.18,115 -3.18,116 -3.05,121 44.7,123 1,127 3,137 1,138 1,144 7,145 1,153 1,154 1,158 1,176 8,180 5,185 3,187 8,192 4,197 1,200 6,205 1,206 2,214 3,219 3,222 2,224 1,227 6,232 3,239 7,244 2,249 1,251 5,256 2,261 2,264 4,269 1,274 2,277 4,281 470,282 13.792,283 13.792,284 13.792,285 13.792,286 13.792,287 12.121,288 12.898,289 8.464,290 13.927,291 10.911,292 10.911,293 10.911,294 10.911,295 10.911,296 8.441,297 17.215,298 4.101,299 11.115,300 3.856,301 1.952,302 1.011,303 0.494,304 0.421,305 0.421,306 3.74,310 1,311 1,312 1,313 375,314 2.121,317 54.645,318 131.998,325 1.385,326 12.711,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 42,338 173,339 4.233,340 3.658,341 6.117,342 3.914,343 2.92,344 3.705,345 1.277,346 8.998,347 2.911,348 3.93,349 2.98,350 5.533,351 3.573,352 2.594,353 3.456,354 0.995,355 7.533,356 2.545,357 3.819,358 2.591,359 5.306,360 3.412,361 2.429,362 3.247,363 0.359,364 6.804,365 2.376,366 3.255,367 2.433,368 4.973,369 3.014,370 2.055,371 2.34,373 5.832,374 1.956,375 2.943,376 1.958,377 4.189,378 2.515,379 1.506,380 1.98,382 3.843,383 1.513,384 2.828,385 1.521,386 3.592,387 2.41,388 1.414,389 1.938,391 3.036,392 1.407,393 2.5,394 1.181,395 3.417,396 2.092,397 1.11,398 1.5,400 2.495,401 1.088,402 2.466,403 1.051,404 3.247,405 2,406 1,407 1.427,409 2.136,410 1,411 2.118,412 1,413 3,414 1.567,415 0.618,416 0.927,418 1.372,419 0.585,420 1.657,421 0.618,422 2.909,423 1.337,424 0.316,425 0.39,427 0.744,428 0.319,429 1.206,430 0.241,431 2.76,432 0.901,433 -0.073,434 -0.091,436 -0.2,437 -0.071,438 0.847,439 -0.033,440 2.253,441 0.51,442 -0.503,443 -0.613,445 -1.237,446 -0.507,447 0.5,448 -0.516,449 2.045,450 0.035,451 -0.938,452 -0.992,454 -2.347,455 -0.901,456 0.387,457 -0.745,458 1.555,460 -1,461 -1.301,463 -2.369,464 -0.991,465 0.196,466 -1,467 1.468,468 -0.003,469 -1,470 -1.5,472 -2.674,473 -1,474 9.633,475 0.482,476 0.362,477 0.018,478 25.5,479 1.275,480 13,481 0.65,482 12.5,483 0.625,484 13.731,485 0.687,486 20.967,487 0.552,488 16.15,489 0.808,490 5.289,491 0.264,492 4.521,493 0.226,494 0.035,496 0.249,501 0.732,502 1.242,503 0.836,504 1.029,505 0.534,506 0.951,507 0.996,508 1.13,509 1.017,510 1.021,511 0.626,512 1.006,513 1.093,514 1.196,515 1.158,516 1.202,517 1.067,518 1.188,519 1.157,520 0.924,521 0.975,522 0.903,523 1.345,524 0.925,525 0.667,526 0.958,527 0.905,528 0.986,529 0.652,530 0.969,531 1.382,532 1.005,533 1.08,534 1.008,535 1.462,536 1.015,537 1.034,538 0.887,539 1.064,540 0.984,541 0.995,542 1.018,543 0.903,544 0.915,545 0.867,546 0.951,547 1.108,548 0.922,549 3.5,550 0.015,551 1.333,552 0.972,553 0.759,554 0.354,555 0.336,556 0.189,557 0.088,558 0.029,559 4055,560 9481,561 2.138,562 47.4,564 14,565 1,567 1,568 2,572 1.617,573 2.069,574 3.149,575 -0.37,577 1,579 1,582 52.876,583 1.391,584 3.296,585 4.237,586 4.754,587 4.827,588 4.827,589 2.546,590 3.446,591 4.294,592 3.259,593 619.185,594 7.332,595 6415.64,596 1,597 1,598 1,599 1,600 199.421,601 1.076,602 4.283,603 0.159,604 0.003,605 0.046,606 0.039,607 0.035,608 0.015,609 0.015,610 0.012,611 0.007,612 0.003,613 0.333,614 1,615 1,616 0.432,617 89.045,618 -0.01,619 -0.105,620 0.052,621 -0.012,622 -0.008,623 0.019,624 -0.108,625 -0.017,626 -0.086,627 -0.051,628 -0.027,629 -0.059,630 -0.098,631 -0.198,632 -0.201,633 -0.226,634 -0.077,635 -0.224,636 0.017,637 0.01,638 0.03,639 0.058,640 -0.083,641 0.043,642 0.2,643 0.038,644 0.061,645 -0.015,646 0.097,647 0.004,648 -0.13,649 -0.042,650 -0.084,651 -0.045,652 -0.084,653 -0.057,654 -0.096,655 0.052,656 -0.082,657 -0.014,658 -0.022,659 -0.038,660 0.047,661 -0.047,662 0.129,663 0.036,664 0.059,665 0.08,666 1.399,667 5.01,668 0.85,669 15.3,670 0.989,671 1.119,672 1.955,673 3.821,674 0.673,675 3.135,676 3.401,677 3.611,678 3.829,679 3.97,680 3.932,681 4.025,682 4.111,683 4.078,684 4.043,685 5.287,686 0.631,687 266.37,688 3.135,689 4.635,690 5.451,691 6.293,692 7.125,693 7.972,694 8.81,695 9.659,696 10.501,697 11.351,698 5.3,701 1,706 1,715 8,717 1,720 2,722 11,741 38,743 13,744 1,745 22,747 40,748 17,749 10,750 1,751 5,752 3,756 3,757 3,767 1,770 1,772 13,773 4,777 2,782 1,784 1,786 2,789 1,790 1,793 18,794 2,795 1,796 3,802 2,808 1,809 1,824 1,828 1,829 2,841 1,849 1,850 1,855 1,859 3,868 20,876 4,881 1,893 2.6,896 1,901 9.667,902 6.617,903 4.444,904 2.258,907 2.23,908 1.344,909 1.004,910 3.91,911 8.719,912 3.418,913 3.927,914 4.408,915 4.865,916 5.159,917 5.226,918 5.503,919 5.759,920 5.858,921 6.101,922 0.833,923 25,924 7.405,926 3.096,927 0.026,929 7.608,931 14.446,933 11.865,936 2.108,937 42.167,938 0.001,941 200.109,942 107.97,943 19.91,945 25.145,948 107.97,949 225.254,950 19.91,952 8.852,953 84.857,954 30.278,955 26.281,956 14.528,957 188.338,959 200.109,960 127.88,961 25.145,964 200.109,965 25.145,968 28.761,969 89.643,970 9.476,972 200.109,973 45.055,974 107.97,977 200.109,978 23.113,979 87.982,980 16.786,981 25.145,982 200.109,983 45.055,984 107.97,986 0.567,987 0.319,988 0.171,989 0.089,990 14,991 5,992 0.075,993 3,995 1,996 3.39,997 144.747,999 17,1000 82.439,1005 13.042,1006 5.995,1007 3.339,1009 28.269,1010 16.203,1012 3.122,1015 2.288,1017 16.786,1018 353.134,1019 29.5,1024 12.01,1026 1.972,1028 1.165,1031 37.6,1032 42.528,1034 0.265,1035 0.628,1036 0.807,1037 0.906,1038 0.92,1039 0.92,1040 4.613,1041 1,1042 5.389,1043 2.495,1044 4.078,1045 4.61,1046 1.842,1047 6.103,1048 4.044,1049 5.772,1050 0.618,1051 6.878,1052 2.136,1053 3.434,1054 4.06,1055 0.325,1056 6.742,1057 3.4,1058 7.032,1059 0.316,1060 8.463,1061 1.372,1062 5.572,1063 6.645,1064 2.052,1065 9.816,1066 5.509,1067 8.324,1068 -0.073,1069 10.104,1070 0.744,1071 5.771,1072 6.95,1073 0.504,1074 11.282,1075 5.716,1076 9.647,1077 -0.503,1078 11.782,1079 -0.2,1080 7.317,1081 8.92,1082 2.389,1083 13.819,1084 7.235,1085 10.991,1086 -0.938,1087 13.484,1088 -1.237,1089 7.923,1090 9.638,1091 0.585,1092 15.646,1093 7.854,1094 12.35,1095 -1,1096 15.204,1097 -2.347,1098 9.202,1099 11.317,1100 2.79,1101 17.976,1102 9.113,1103 2.92,1104 -1,1105 16.937,1106 -2.369,1107 10.019,1108 12.257,1109 0.622,1110 19.981,1111 9.941,1112 2.594,1113 8.998,1114 18.68,1115 -2.674,1116 11.173,1117 13.781,1118 3.226,1119 22.225,1120 11.082,1121 2.429,1122 7.533,1123 20.431,1124 3.705,1125 12.101,1126 14.849,1127 0.639,1128 24.32,1129 12.018,1130 2.055,1131 6.804,1132 22.189,1133 3.456,1134 13.198,1135 16.284,1136 3.683,1137 26.529,1138 13.107,1139 1.506,1140 5.832,1141 23.953,1142 3.247,1143 14.185,1144 17.43,1145 0.646,1146 28.67,1147 14.1,1148 1.414,1149 3.843,1150 25.721,1151 2.34,1152 15.256,1153 18.812,1154 4.153,1155 30.866,1156 15.167,1157 1.11,1158 3.036,1159 27.494,1160 1.98,1161 16.276,1162 20.009,1163 0.648,1164 33.032,1165 16.19,1166 3886,1167 6011,1168 15.197,1169 25.557,1170 32.68,1171 32.854,1172 32.084,1173 31.941,1174 31.924,1175 41.823,1176 5.262,1177 85.586,1178 31.404,1179 5.233,1180 5.658,1181 5.918,1182 4.951,1183 4.92,1184 6.705,1185 2.555,1186 15.246,1187 4.911,1188 5.283,1189 1.485,1190 1.493,1191 1.458,1192 1.452,1193 1.451,1194 1.901,1195 0.239,1196 3.89,1197 1.427,1198 4.007,1199 4.051,1200 3.941,1201 3.897,1202 7.427,1203 3.901,1204 3.904,1205 3.945,1206 3.831,1207 3.822,1208 4.875,1209 3.821,1210 3.757,1211 3.803,1212 3.673,1213 3.613,1214 4.753,1215 3.621,1216 3.26,1217 3.314,1218 3.155,1219 3.101,1220 4.283,1221 3.099,1222 3.169,1223 3.242,1224 2.998,1225 3.023,1226 3.876,1227 3.009,1228 2.854,1229 2.925,1230 2.708,1231 2.735,1232 3.674,1233 2.715,1234 2.848,1235 2.911,1236 2.687,1237 2.65,1238 3.643,1239 2.655,1240 2.608,1241 2.691,1242 2.423,1243 2.414,1244 3.444,1245 2.407,1246 0.192,1247 0.166,1248 0.278,1249 0.178,1250 0.133,1251 4.233,1252 0.168,1253 3.658,1254 0.058,1255 6.117,1256 0.409,1257 3.914,1258 0.132,1259 2.92,1260 3.705,1261 1.277,1262 8.998,1263 2.911,1264 1.93,1265 1.896,1266 2.062,1267 2.052,1268 1.295,1269 2.056,1270 1.818,1271 1.787,1272 1.957,1273 1.936,1274 1.103,1275 1.946,1276 1.508,1277 1.462,1278 1.685,1279 1.72,1280 0.856,1281 1.706,1282 1.456,1283 1.388,1284 1.646,1285 1.61,1286 0.699,1287 1.634,1288 1.202,1289 1.14,1290 1.475,1291 1.425,1292 0.65,1293 1.439,1294 1.08,1295 1.005,1296 1.354,1297 1.285,1298 0.519,1299 1.316,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.225,1305 1.107,1306 0.804,1307 0.744,1308 1.09,1309 1.059,1310 0.218,1311 1.071,1312 3.807,1314 5.081,1315 2.398,1316 6.541,1317 4.443,1318 8.084,1319 6.26,1320 9.669,1328 3.081,1333 2.325,1340 23.972,1341 52.876,1342 125.24,1343 161.015,1344 180.666,1345 183.421,1346 183.421,1347 26.522,1348 6.489,1349 36.1,1350 36.1,1351 17,1352 11.91,1353 3.807,1354 3.087,1355 29.961,1356 64,1357 56,1358 0.233,1359 148.753,1360 256.09,1361 354.718,1362 5089,1364 13.786,1365 0.689,1366 0.569,1367 13.786,1368 11.38,1369 9.81,1370 0.446,1371 0.316,1372 6.882,1373 9.571,1374 6.717,1375 5.573,1376 9.81,1377 6.946,1378 8.542,1379 0.295,1380 0.178,1381 8.542,1382 5.164,1383 6.973,1384 0.194,1385 0.1,1386 6.973,1387 3.608,1388 5.624,1389 0.125,1390 0.057,1391 5.624,1392 2.553,1393 4.277,1394 0.082,1395 0.033,1396 4.277,1397 1.693,1398 0.363,1399 60.502,1400 0.257,1401 20.081,1402 0.647,1403 102,1404 255.714,1405 107.906,1406 253.559,1407 345.41,1408 238,1409 116,1410 247.721,1411 122.49,1412 255.505,1413 366.76,1414 240,1415 4.959}
{0 CHEMBL340427,1 1.509,2 15.667,3 4.496,4 20.216,5 125.482,6 7.568,7 0.5,8 4.175,9 4.275,10 3.754,11 3.702,12 5.308,13 3.696,14 4.701,15 4.857,16 4.094,17 4.063,18 5.841,19 4.043,20 4.926,21 5.095,22 4.162,23 4.191,24 6.019,25 4.153,26 5.005,27 5.21,28 4.092,29 4.155,30 6.13,31 4.095,32 4.902,33 5.102,34 3.948,35 4.122,36 5.944,37 4.035,38 4.931,39 5.165,40 3.845,41 4.069,42 5.884,43 3.954,44 4.849,45 5.085,46 3.712,47 3.957,48 5.764,49 3.84,50 4.742,51 4.969,52 3.644,53 3.862,54 5.677,55 3.752,56 0.049,57 0.793,58 11.556,59 5.569,60 8.065,61 6.773,62 0.433,63 1.271,64 22.556,65 8.823,66 35.518,67 11.131,68 0.377,69 1.492,70 29.502,71 11.666,72 42.375,73 14.415,74 0.795,75 1.561,76 34.604,77 12.145,78 79.408,79 15.58,80 0.449,81 1.467,82 29.739,83 11.479,84 56.425,85 14.881,86 0.505,87 1.48,88 32.129,89 11.942,90 58.672,91 16.167,92 0.516,93 1.365,94 29.913,95 10.653,96 51.974,97 14.296,98 0.425,99 1.217,100 26.551,101 9.634,102 44.633,103 12.841,104 20,105 49,106 0.244,107 0.552,108 0.739,109 0.865,110 0.902,111 0.902,112 3.531,113 0.899,114 -3.74,115 -3.71,116 -3.53,121 44.1,123 1,126 2,127 3,144 11,145 3,146 4,159 1,161 1,176 10,179 1,180 13,183 2,187 12,192 10,200 7,205 3,206 11,211 2,214 9,218 1,219 4,224 2,227 9,231 1,232 7,237 1,239 6,243 1,244 6,247 1,251 2,255 1,256 4,264 4,268 1,269 2,274 1,277 7,281 1954,282 22.455,283 22.455,284 22.455,285 22.455,286 22.455,287 20.072,288 28.551,289 13.437,290 22.977,291 17.743,292 17.743,293 17.743,294 17.743,295 17.743,296 13.999,297 37.482,298 6.37,299 18.521,300 4.373,301 2.465,302 1.306,303 0.526,304 0.297,305 0.297,306 4.229,311 1,312 1,313 1120,314 4.123,318 379.144,322 285.638,325 2.303,326 33.363,329 1,330 1,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.88,337 72,338 517,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 2.186,346 11.061,347 3.18,348 4.105,349 3.66,350 6.011,351 3.723,352 2.761,353 3.688,354 0.916,355 8.529,356 2.661,357 4.048,358 3,359 5.681,360 3.613,361 2.643,362 3.676,363 0.86,364 7.996,365 2.563,366 3.672,367 2.98,368 5.408,369 3.38,370 2.451,371 2.964,372 0.86,373 6.914,374 2.261,375 3.617,376 2.82,377 5.29,378 3.232,379 2.271,380 2.885,381 0.366,382 6.814,383 2.171,384 3.378,385 2.633,386 5.124,387 3.114,388 2.159,389 2.517,390 0.172,391 6.041,392 2.041,393 3.307,394 2.491,395 4.861,396 2.945,397 2.008,398 2.501,400 5.591,401 1.86,402 3.08,403 2.166,404 4.584,405 2.763,406 1.792,407 2.167,409 4.811,410 1.728,411 2.904,412 1.708,413 4.125,414 2.437,415 1.453,416 2.08,418 3.384,419 1.426,420 2.715,421 1.571,422 3.719,423 2.319,424 1.361,425 1.811,427 3.094,428 1.295,429 2.663,430 1.37,431 3.58,432 2.242,433 1.255,434 1.733,436 2.927,437 1.235,438 2.478,439 1.298,440 3.493,441 2.17,442 1.181,443 1.451,445 2.598,446 1.165,447 2.364,448 1.275,449 3.466,450 1.88,451 0.853,452 1.247,454 2.039,455 0.869,456 1.552,457 1.101,458 2.989,459 1.343,460 0.421,461 0.457,463 0.974,464 0.384,465 1.507,466 0.764,467 2.911,468 1.298,469 0.382,470 0.409,472 0.558,473 0.346,474 15.467,475 0.469,476 0.729,477 0.022,478 43.75,479 1.326,480 22.5,481 0.682,482 21.25,483 0.644,484 25.907,485 0.785,486 35.533,487 0.602,488 34.929,489 1.058,490 9.029,491 0.274,492 7.001,493 0.212,494 0.108,496 0.317,501 0.778,502 1.293,503 0.755,504 1.136,505 0.589,506 0.97,507 0.894,508 0.904,509 0.86,510 0.909,511 0.563,512 0.867,513 1.196,514 1.097,515 0.978,516 1.086,517 0.867,518 1.009,519 1.168,520 0.889,521 0.99,522 0.883,523 1.139,524 0.899,525 1.005,526 1.08,527 1.091,528 1.095,529 1.148,530 1.111,531 0.82,532 1.055,533 0.992,534 1.053,535 0.661,536 1.058,537 0.988,538 0.959,539 1.096,540 1.013,541 0.795,542 1.065,543 1.005,544 1.077,545 1.087,546 1.078,547 0.834,548 1.099,549 6.5,550 0.165,551 2.889,552 2.375,553 1.853,554 0.813,555 0.645,556 0.33,557 0.267,558 0.138,559 18494,560 51975,561 2.079,562 44.1,564 23,567 1,570 2,572 1.744,573 1.96,574 3.901,575 -0.382,577 1,582 89.043,583 1.509,584 3.418,585 4.576,586 5.357,587 5.586,588 5.586,589 3.362,590 4.863,591 5.019,592 4.093,593 2161.34,594 8.74,595 35361.8,597 1,600 347.076,601 1.35,602 4.982,603 0.181,604 0.006,605 0.059,606 0.047,607 0.04,608 0.02,609 0.018,610 0.011,611 0.01,612 0.005,613 0.397,614 0.33,615 1,616 0.98,617 181.007,618 -0.03,619 -0.156,620 0.058,621 -0.087,622 -0.043,623 -0.012,624 0.076,625 0.197,626 0.056,627 0.077,628 0.107,629 0.074,630 -0.115,631 -0.102,632 -0.023,633 -0.082,634 -0.012,635 -0.042,636 0.014,637 0.078,638 0.028,639 0.088,640 0.029,641 0.065,642 -0.084,643 -0.089,644 -0.133,645 -0.1,646 -0.115,647 -0.124,648 0.024,649 -0.103,650 -0.005,651 -0.064,652 0.023,653 -0.046,654 -0.059,655 0.01,656 -0.093,657 -0.045,658 -0.066,659 -0.073,660 -0.061,661 -0.117,662 -0.09,663 -0.101,664 -0.061,665 -0.105,666 2.154,667 5.64,668 0.606,669 38.608,670 1.008,671 1.119,672 2.514,673 6.319,674 0.668,675 3.611,676 3.912,677 4.159,678 4.419,679 4.654,680 4.727,681 4.828,682 4.942,683 4.984,684 4.905,685 9.085,686 0.643,687 446.54,688 3.611,689 5.142,690 5.979,691 6.847,692 7.702,693 8.579,694 9.443,695 10.326,696 11.197,697 12.083,698 3.4,701 1,705 1,715 11,720 7,722 18,727 1,737 1,739 2,741 59,743 20,744 3,745 36,747 62,748 26,749 18,750 7,751 11,752 1,756 4,757 7,770 1,772 20,773 6,777 2,782 2,786 2,790 1,793 26,794 7,795 1,796 7,802 2,808 0.5,809 5,829 4,833 2,855 1,859 2,864 2,868 33,876 4,877 1,878 3,881 1,893 8.5,896 2,898 3,901 16.833,902 11.2,903 7.361,904 3.462,907 3.512,908 1.435,909 0.973,910 7.401,911 11.58,912 3.871,913 4.425,914 4.958,915 5.511,916 6.039,917 6.252,918 6.582,919 6.935,920 7.202,921 7.371,922 1,923 51,924 12.205,926 5.127,927 0.026,929 7.803,931 23.129,933 18.527,936 2.303,937 76,940 1,941 294.278,942 174.796,943 21.135,945 83.29,948 174.796,949 377.567,950 21.135,951 16.793,952 29.349,953 104.239,954 55.423,955 66.654,956 6.763,957 294.278,959 294.278,960 195.931,961 83.29,964 270.735,965 106.832,968 32.473,969 163.458,972 294.278,973 104.425,974 174.796,977 294.278,978 53.765,979 124.156,980 18.011,981 83.29,982 294.278,983 104.425,984 174.796,986 0.573,987 0.33,988 0.178,989 0.098,990 22,991 10,992 0.145,993 9,994 2,995 1.2,996 4.566,997 287.245,998 0.2,999 20,1000 166.465,1005 22.992,1006 10.623,1007 5.792,1009 104.425,1010 20.03,1015 4.445,1017 18.011,1018 573.498,1019 47,1024 24.014,1028 -0.524,1031 59.443,1032 66.026,1034 0.257,1035 0.581,1036 0.778,1037 0.911,1038 0.95,1039 0.95,1040 5.097,1041 1.792,1042 5.948,1043 5.591,1044 4.595,1045 5.112,1046 2.639,1047 6.727,1048 4.518,1049 6.282,1050 1.453,1051 7.484,1052 4.811,1053 4.111,1054 4.832,1055 1.847,1056 7.551,1057 4.007,1058 7.572,1059 1.361,1060 9.118,1061 3.384,1062 6.155,1063 7.235,1064 3.582,1065 10.66,1066 6.014,1067 8.894,1068 1.255,1069 10.812,1070 3.094,1071 6.479,1072 7.753,1073 3.603,1074 12.333,1075 6.327,1076 10.248,1077 1.181,1078 12.546,1079 2.927,1080 7.983,1081 9.643,1082 4.922,1083 14.973,1084 7.804,1085 11.625,1086 0.853,1087 14.308,1088 2.598,1089 8.71,1090 10.56,1091 5.291,1092 17.035,1093 8.533,1094 13.022,1095 0.421,1096 16.094,1097 2.039,1098 9.989,1099 12.217,1100 6.39,1101 19.515,1102 9.793,1103 3.215,1104 0.382,1105 17.898,1106 0.974,1107 10.925,1108 13.35,1109 6.93,1110 21.76,1111 10.733,1112 2.761,1113 11.061,1114 19.717,1115 0.558,1116 12.111,1117 14.889,1118 7.902,1119 24.185,1120 11.909,1121 2.643,1122 8.529,1123 21.549,1124 4.198,1125 13.154,1126 16.144,1127 8.539,1128 26.514,1129 12.954,1130 2.451,1131 7.996,1132 23.392,1133 3.688,1134 14.308,1135 17.621,1136 9.436,1137 28.922,1138 14.102,1139 2.271,1140 6.914,1141 25.245,1142 3.676,1143 15.406,1144 18.946,1145 10.13,1146 31.289,1147 15.199,1148 2.159,1149 6.814,1150 27.107,1151 2.964,1152 16.553,1153 20.392,1154 10.981,1155 33.692,1156 16.34,1157 2.008,1158 6.041,1159 28.975,1160 2.885,1161 17.679,1162 21.757,1163 11.71,1164 36.077,1165 17.463,1166 17523,1167 29530,1168 24.156,1169 39.421,1170 52.893,1171 55.403,1172 54.569,1173 52.412,1174 52.41,1175 67.568,1176 10.723,1177 146.663,1178 50.369,1179 5.486,1180 5.692,1181 6.459,1182 5.302,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.18,1188 16.019,1189 1.469,1190 1.539,1191 1.516,1192 1.456,1193 1.456,1194 1.877,1195 0.298,1196 4.074,1197 1.399,1198 4.048,1199 4.056,1200 4.014,1201 3.965,1202 7.435,1203 3.974,1204 3.938,1205 3.965,1206 3.877,1207 3.856,1208 7.427,1209 3.856,1210 3.781,1211 3.807,1212 3.716,1213 3.711,1214 4.947,1215 3.708,1216 3.661,1217 3.723,1218 3.536,1219 3.486,1220 4.813,1221 3.485,1222 3.528,1223 3.589,1224 3.436,1225 3.218,1226 4.708,1227 3.263,1228 3.356,1229 3.424,1230 3.237,1231 3.14,1232 4.386,1233 3.152,1234 3.186,1235 3.203,1236 3.083,1237 3.036,1238 4.311,1239 3.042,1240 3.03,1241 3.084,1242 2.903,1243 2.812,1244 4.203,1245 2.824,1246 0.126,1247 0.103,1248 0.188,1249 0.117,1250 0.089,1251 4.553,1252 0.117,1253 3.692,1254 0.061,1255 6.774,1256 0.307,1257 4.203,1258 0.088,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.058,1267 2.084,1268 1.254,1269 2.073,1270 1.91,1271 1.885,1272 2.031,1273 2.023,1274 1.164,1275 2.027,1276 1.775,1277 1.751,1278 1.911,1279 1.891,1280 1.112,1281 1.897,1282 1.638,1283 1.573,1284 1.855,1285 1.822,1286 0.974,1287 1.833,1288 1.404,1289 1.336,1290 1.691,1291 1.731,1292 0.781,1293 1.717,1294 1.322,1295 1.248,1296 1.631,1297 1.574,1298 0.681,1299 1.595,1300 1.126,1301 1.108,1302 1.355,1303 1.314,1304 0.498,1305 1.294,1306 1.003,1307 0.927,1308 1.264,1309 1.264,1310 0.415,1311 1.28,1312 4.29,1314 5.595,1316 7.096,1318 8.695,1320 10.351,1322 3.555,1328 2.908,1329 2.435,1330 16.964,1333 2.175,1340 37.938,1341 89.043,1342 201.665,1343 270.003,1344 316.056,1345 329.566,1346 329.566,1347 61.747,1348 8.068,1349 81.01,1350 81.01,1351 24,1352 12.618,1353 4.392,1354 3.585,1355 54.979,1356 186,1357 171,1358 0.142,1359 231.966,1360 413.13,1361 557.757,1362 44292,1364 23.209,1365 0.703,1366 0.566,1367 23.209,1368 18.668,1369 16.029,1370 0.445,1371 0.3,1372 10.609,1373 15.325,1374 10.329,1375 8.602,1376 16.029,1377 10.788,1378 14.179,1379 0.289,1380 0.159,1381 14.179,1382 7.812,1383 11.693,1384 0.186,1385 0.084,1386 11.693,1387 5.268,1388 9.716,1389 0.118,1390 0.045,1391 9.716,1392 3.652,1393 7.814,1394 0.075,1395 0.023,1396 7.814,1397 2.433,1398 0.235,1399 101.126,1400 0.203,1401 31.675,1402 0.357,1403 170,1404 546.656,1405 189.743,1406 514.176,1407 697.71,1408 482,1409 197,1410 509.442,1411 216.112,1412 510.767,1413 746.95,1414 479,1415 9.523}
{0 CHEMBL340542,1 1.409,2 13.441,3 5.371,4 28.848,5 134.511,6 7.509,7 0.579,8 4.186,9 4.29,10 3.773,11 3.795,12 5.29,13 3.767,14 4.715,15 4.869,16 4.123,17 4.189,18 5.766,19 4.145,20 4.958,21 5.134,22 4.203,23 4.332,24 6.025,25 4.261,26 5.066,27 5.28,28 4.133,29 4.317,30 6.12,31 4.227,32 4.991,33 5.205,34 4.124,35 4.309,36 6.011,37 4.217,38 5.027,39 5.235,40 4.171,41 4.338,42 6.099,43 4.248,44 4.987,45 5.186,46 4.126,47 4.31,48 6.045,49 4.217,50 5.006,51 5.224,52 4.032,53 4.208,54 6.163,55 4.118,56 0.013,57 0.782,58 11.481,59 5.568,60 6.888,61 7.055,62 0.21,63 1.334,64 21.901,65 9.108,66 18.319,67 11.702,68 0.167,69 1.65,70 29.006,71 12.301,72 35.612,73 15.936,74 0.412,75 1.818,76 35.221,77 13.459,78 62.209,79 17.577,80 0.208,81 1.693,82 31.715,83 13.107,84 42.845,85 17.538,86 0.492,87 1.739,88 33.286,89 13.499,90 59.52,91 17.896,92 0.155,93 1.675,94 30.833,95 13.134,96 39.095,97 17.382,98 0.531,99 1.673,100 33.982,101 12.669,102 94.206,103 16.383,104 11,105 53,106 0.224,107 0.54,108 0.721,109 0.838,110 0.864,111 0.864,112 3.561,113 0.901,114 -4.66,115 -4.58,116 -4.31,121 48.3,123 1,126 1,127 3,137 1,138 1,144 13,145 4,146 1,153 1,154 1,158 1,160 1,176 17,179 1,180 12,187 18,192 13,200 12,205 1,206 14,214 10,219 6,227 18,231 4,232 6,239 23,244 6,251 19,255 2,256 11,264 12,269 10,277 9,281 2218,282 23.455,283 23.455,284 23.455,285 23.455,286 23.455,287 20.503,288 23.198,289 13.867,290 23.774,291 18.715,292 18.715,293 18.715,294 18.715,295 18.715,296 14.121,297 28.758,298 6.552,299 19.117,300 4.497,301 2.513,302 1.375,303 0.639,304 0.479,305 0.479,306 4.27,312 1,313 1003,314 3.317,317 74.117,318 413.504,321 140.418,325 2.022,326 28.79,329 1,330 0.83,331 1,332 0.6,333 0.5,334 1,335 1,336 0.85,337 72,338 457,339 4.703,340 3.705,341 6.887,342 4.246,343 3.273,344 4.652,345 1.277,346 11.527,347 3.186,348 4.22,349 3.656,350 6.241,351 3.898,352 2.902,353 3.784,354 0.995,355 9.229,356 2.895,357 4.124,358 3.052,359 6.073,360 3.762,361 2.766,362 3.522,363 0.98,364 8.768,365 2.759,366 3.914,367 2.978,368 5.535,369 3.549,370 2.555,371 3.443,372 0.86,373 7.488,374 2.535,375 3.766,376 2.819,377 5.464,378 3.358,379 2.404,380 3.176,381 0.359,382 6.977,383 2.283,384 3.421,385 2.483,386 5.253,387 3.058,388 2.1,389 2.741,391 6.362,392 2.014,393 3.265,394 2.18,395 4.981,396 2.962,397 1.974,398 2.579,400 5.847,401 1.934,402 3.245,403 2.006,404 4.902,405 2.797,406 1.83,407 2.336,409 5.297,410 1.761,411 2.874,412 1.817,413 4.218,414 2.451,415 1.442,416 1.94,418 3.801,419 1.451,420 2.825,421 1.755,422 3.965,423 2.41,424 1.414,425 1.912,427 3.036,428 1.407,429 2.751,430 1.519,431 3.594,432 2.254,433 1.256,434 1.8,436 2.966,437 1.247,438 2.538,439 1.202,440 3.59,441 2.073,442 1.071,443 1.5,445 2.717,446 1.069,447 2.5,448 1.075,449 3.414,450 2,451 1,452 1.5,454 2.275,455 1,456 2.5,457 1.065,458 3.414,459 2,460 1,461 1.49,463 2.136,464 1,465 2.135,466 1,467 3.247,468 1.654,469 0.68,470 0.921,472 1.62,473 0.652,474 16.3,475 0.479,476 0.725,477 0.021,478 46.5,479 1.368,480 25,481 0.735,482 21.5,483 0.632,484 27.201,485 0.8,486 34.7,487 0.578,488 38.247,489 1.125,490 9.537,491 0.28,492 7.082,493 0.208,494 0.072,496 0.325,501 0.672,502 1.198,503 0.75,504 1.016,505 0.529,506 0.912,507 0.973,508 0.994,509 0.911,510 0.889,511 0.632,512 0.88,513 0.981,514 1.213,515 1.008,516 1.131,517 0.914,518 1.082,519 1.24,520 0.984,521 1.064,522 0.945,523 1.379,524 0.971,525 0.824,526 1.012,527 0.908,528 0.985,529 0.954,530 0.959,531 0.826,532 0.879,533 0.929,534 0.913,535 1.153,536 0.932,537 0.831,538 1.165,539 0.983,540 1.151,541 0.942,542 1.097,543 1.338,544 0.893,545 1.08,546 0.917,547 1.499,548 0.952,549 6,550 0.18,551 3.556,552 2.514,553 1.779,554 1.181,555 0.845,556 0.551,557 0.448,558 0.285,559 17363,560 42902,561 2.145,562 43.3,564 23,565 1,568 2,572 1.762,573 2.04,574 3.692,575 -0.846,582 84.566,583 1.409,584 3.394,585 4.532,586 5.267,587 5.428,588 5.428,589 3.201,590 4.735,591 5.054,592 3.831,593 2149.15,594 8.881,595 32646.1,600 354.413,601 1.286,602 5.033,603 0.158,604 0.005,605 0.067,606 0.046,607 0.036,608 0.023,609 0.016,610 0.011,611 0.01,612 0.007,613 0.379,614 0.33,615 0.88,616 0.608,617 182.02,618 0.007,619 -0.139,620 0.064,621 -0.043,622 -0.021,623 0.005,624 -0.047,625 0.087,626 -0.013,627 0.062,628 -0.02,629 0.036,630 -0.053,631 -0.198,632 -0.08,633 -0.159,634 0.001,635 -0.13,636 -0.097,637 0.03,638 -0.063,639 0.018,640 -0.094,641 -0.012,642 -0.012,643 -0.017,644 0.051,645 -0.001,647 0.03,648 0.155,649 0.114,650 0.046,651 0.069,652 0.009,653 0.045,654 0.001,655 -0.181,656 -0.037,657 -0.164,658 0.02,659 -0.115,660 -0.012,661 0.104,662 -0.049,663 0.048,664 0.034,665 0.006,666 1.788,667 6.311,668 0.794,669 37.72,670 0.996,671 1.11,672 3.433,673 11.783,674 0.692,675 3.664,676 3.989,677 4.29,678 4.564,679 4.828,680 4.92,681 5.094,682 5.247,683 5.352,684 5.481,685 7.574,686 0.658,687 450.57,688 3.664,689 5.209,690 6.071,691 6.952,692 7.832,693 8.721,694 9.61,695 10.506,696 11.401,697 12.301,698 3.3,701 1,706 1,714 2,715 14,720 4,721 1,722 22,739 1,741 60,743 25,744 3,745 38,747 64,748 29,749 20,750 5,751 13,752 4,756 5,757 6,767 1,770 1,772 24,773 5,777 3,782 2,784 1,786 3,793 26,794 4,796 5,802 2,808 0.8,809 3,824 1,828 1,829 4,832 1,841 1,849 1,850 1,855 1,859 4,864 1,868 34,876 4,878 1,881 1,893 5,896 2,898 1,901 16.667,902 11.15,903 7.5,904 3.55,907 4.378,908 1.527,909 1.017,910 6.33,911 12.684,912 3.97,913 4.577,914 5.203,915 5.795,916 6.358,917 6.69,918 7.143,919 7.568,920 7.861,921 8.259,922 1,923 55,924 12.621,926 5.431,927 0.026,929 7.691,931 24.256,933 20.194,936 2.191,937 74.5,941 306.049,942 193.991,943 5.023,945 61.29,948 193.991,949 367.338,950 5.023,951 10.883,952 8.852,953 141.715,954 60.128,955 36.582,956 13.915,957 294.278,959 306.049,960 199.014,961 61.29,964 306.049,965 61.29,968 13.875,969 175.663,970 9.476,972 306.049,973 66.313,974 193.991,977 306.049,978 41.393,979 157.621,981 61.29,982 306.049,983 66.313,984 193.991,986 0.578,987 0.345,988 0.186,989 0.105,990 26,991 11,992 0.078,993 5,994 1,995 1.074,996 4.505,997 327.182,998 0.074,999 27,1000 164.974,1005 22.183,1006 9.702,1007 4.715,1008 1.768,1009 64.414,1010 27.042,1015 3.388,1016 1.665,1018 566.352,1019 52,1024 26.086,1026 1.958,1028 0.828,1031 59.789,1032 66.607,1034 0.239,1035 0.575,1036 0.767,1037 0.892,1038 0.919,1039 0.919,1040 5.201,1041 1.83,1042 6.047,1043 5.847,1044 4.673,1045 5.265,1046 2.273,1047 6.862,1048 4.636,1049 6.409,1050 1.442,1051 7.605,1052 5.297,1053 4.205,1054 5.017,1055 0.325,1056 7.756,1057 4.153,1058 7.716,1059 1.414,1060 9.264,1061 3.801,1062 6.267,1063 7.482,1064 2.372,1065 10.881,1066 6.194,1067 9.061,1068 1.256,1069 10.983,1070 3.036,1071 6.648,1072 8.115,1073 0.504,1074 12.636,1075 6.56,1076 10.441,1077 1.071,1078 12.742,1079 2.966,1080 8.153,1081 10.023,1082 2.601,1083 15.282,1084 8.046,1085 11.846,1086 1,1087 14.53,1088 2.717,1089 8.933,1090 11.095,1091 0.585,1092 17.411,1093 8.808,1094 13.271,1095 1,1096 16.338,1097 2.275,1098 10.214,1099 12.771,1100 2.922,1101 19.904,1102 10.071,1103 3.273,1104 0.68,1105 18.163,1106 2.136,1107 11.189,1108 14.072,1109 0.622,1110 22.201,1111 11.024,1112 2.902,1113 11.527,1114 20.002,1115 1.62,1116 12.382,1117 15.651,1118 3.305,1119 24.646,1120 12.196,1121 2.766,1122 9.229,1123 21.852,1124 4.652,1125 13.452,1126 17.069,1127 0.639,1128 27.019,1129 13.24,1130 2.555,1131 8.768,1132 23.712,1133 3.784,1134 14.616,1135 18.612,1136 3.73,1137 29.454,1138 14.379,1139 2.404,1140 7.488,1141 25.58,1142 3.522,1143 15.732,1144 20.089,1145 0.646,1146 31.862,1147 15.468,1148 2.1,1149 6.977,1150 27.455,1151 3.443,1152 16.89,1153 21.62,1154 4.18,1155 34.296,1156 16.599,1157 1.974,1158 6.362,1159 29.337,1160 3.176,1161 18.031,1162 23.126,1163 0.648,1164 36.721,1165 17.711,1166 16209,1167 25625,1168 25.948,1169 41.512,1170 57.626,1171 59.35,1172 58.368,1173 56.774,1174 56.763,1175 76.337,1176 8.942,1177 162.851,1178 55.738,1179 5.703,1180 5.705,1181 6.689,1182 5.283,1183 5.273,1184 7.652,1185 2.555,1186 19.063,1187 5.186,1188 13.565,1189 1.516,1190 1.562,1191 1.536,1192 1.494,1193 1.494,1194 2.009,1195 0.235,1196 4.286,1197 1.467,1198 4.165,1199 4.193,1200 4.134,1201 4.08,1202 7.43,1203 4.089,1204 3.94,1205 3.98,1206 3.866,1207 3.861,1208 7.425,1209 3.856,1210 3.896,1211 3.914,1212 3.842,1213 3.828,1214 4.924,1215 3.828,1216 3.797,1217 3.833,1218 3.722,1219 3.685,1220 4.841,1221 3.69,1222 3.466,1223 3.508,1224 3.387,1225 3.334,1226 4.753,1227 3.336,1228 3.325,1229 3.367,1230 3.23,1231 3.139,1232 4.364,1233 3.158,1234 3.234,1235 3.292,1236 3.115,1237 3.044,1238 4.338,1239 3.048,1240 3.174,1241 3.247,1242 2.998,1243 2.959,1244 4.181,1245 2.957,1246 0.124,1247 0.098,1248 0.181,1249 0.112,1250 0.086,1251 4.703,1252 0.122,1253 3.705,1254 0.034,1255 6.887,1256 0.303,1257 4.246,1258 0.084,1259 3.273,1260 4.652,1261 1.277,1262 11.527,1263 3.186,1264 1.963,1265 1.941,1266 2.068,1267 2.06,1268 1.3,1269 2.063,1270 1.926,1271 1.896,1272 2.037,1273 2.045,1274 1.167,1275 2.04,1276 1.89,1277 1.869,1278 1.993,1279 1.97,1280 1.102,1281 1.98,1282 1.791,1283 1.758,1284 1.936,1285 1.917,1286 1.071,1287 1.926,1288 1.531,1289 1.486,1290 1.671,1291 1.717,1292 0.847,1293 1.702,1294 1.266,1295 1.223,1296 1.57,1297 1.515,1298 0.702,1299 1.532,1300 1.2,1301 1.138,1302 1.477,1303 1.43,1304 0.597,1305 1.44,1306 1.159,1307 1.082,1308 1.417,1309 1.392,1310 0.565,1311 1.414,1312 4.344,1314 5.666,1315 2.398,1316 7.189,1317 4.844,1318 8.797,1319 7.05,1320 10.45,1322 1.601,1328 2.66,1330 5.208,1333 2.296,1340 39.509,1341 84.566,1342 203.651,1343 271.943,1344 316.049,1345 325.659,1346 325.659,1347 59.142,1348 8.306,1349 51.54,1350 51.54,1351 29,1352 12.824,1353 4.7,1354 3.907,1355 49.902,1356 151,1357 176,1358 0.157,1359 239.503,1360 418.91,1361 576.146,1362 52236,1364 23.493,1365 0.691,1366 0.562,1367 23.493,1368 19.108,1369 16.619,1370 0.437,1371 0.3,1372 11.286,1373 16.142,1374 10.99,1375 9.108,1376 16.619,1377 11.411,1378 14.712,1379 0.278,1380 0.161,1381 14.712,1382 8.544,1383 12.961,1384 0.18,1385 0.087,1386 12.961,1387 6.284,1388 10.69,1389 0.113,1390 0.047,1391 10.69,1392 4.48,1393 8.989,1394 0.072,1395 0.026,1396 8.989,1397 3.179,1398 0.247,1399 103.131,1400 0.196,1401 31.459,1402 0.43,1403 182,1404 496.497,1405 194.026,1406 483.363,1407 664.57,1408 454,1409 216,1410 485.804,1411 229.305,1412 498.506,1413 728.78,1414 468,1415 4.155}
{0 CHEMBL340599,1 1.474,2 12.848,3 6.052,4 36.624,5 132.852,6 8.125,7 0.595,8 4.12,9 4.221,10 3.774,11 3.776,12 5.228,13 3.741,14 4.645,15 4.791,16 4.153,17 4.183,18 5.72,19 4.129,20 4.922,21 5.099,22 4.221,23 4.32,24 6.003,25 4.235,26 5.003,27 5.218,28 4.12,29 4.267,30 6.071,31 4.174,32 4.892,33 5.091,34 4.123,35 4.252,36 5.95,37 4.17,38 4.964,39 5.16,40 4.213,41 4.31,42 6.079,43 4.224,44 4.949,45 5.151,46 4.134,47 4.301,48 5.994,49 4.194,50 4.942,51 5.161,52 4.073,53 4.2,54 6.097,55 4.086,56 0.006,57 0.705,58 9.45,59 4.883,60 6.191,61 6.231,62 0.139,63 1.229,64 18.531,65 8.228,66 14.435,67 10.58,68 0.15,69 1.555,70 29.026,71 11.939,72 38.038,73 15.266,74 0.402,75 1.702,76 34.843,77 12.94,78 64.596,79 16.354,80 0.183,81 1.527,82 27.434,83 11.659,84 40.405,85 15.131,86 0.438,87 1.619,88 31.218,89 12.532,90 62.629,91 16.044,92 0.145,93 1.592,94 29.357,95 12.784,96 38.941,97 16.779,98 0.443,99 1.557,100 33.509,101 12.695,102 85.474,103 16.274,104 10,105 52,106 0.237,107 0.542,108 0.712,109 0.839,110 0.866,111 0.866,112 3.532,113 0.922,114 -5.45,115 -5.33,116 -4.98,121 50,123 1,127 3,137 1,138 1,144 13,145 4,146 1,153 1,154 1,158 1,160 1,176 17,179 1,180 10,187 20,192 11,200 14,205 1,206 13,214 11,219 6,227 18,231 2,232 8,239 23,244 6,251 19,255 2,256 8,264 15,269 7,277 12,281 2012,282 22.585,283 22.585,284 22.585,285 22.585,286 22.585,287 19.58,288 20.486,289 13.368,290 22.861,291 18.287,292 18.287,293 18.287,294 18.287,295 18.287,296 13.699,297 24.748,298 6.413,299 18.775,300 4.333,301 2.441,302 1.388,303 0.6,304 0.429,305 0.429,306 4.241,308 1,312 1,313 935,314 3.162,317 70.716,318 397.461,321 134.152,325 1.853,326 28.853,329 0.75,330 0.83,331 1,332 0.6,333 0.5,334 1,335 1,336 0.81,337 69.333,338 424,339 4.703,340 3.706,341 6.887,342 4.246,343 3.273,344 4.652,345 1.277,346 11.526,347 3.186,348 4.217,349 3.656,350 6.24,351 3.897,352 2.902,353 3.775,354 0.995,355 9.226,356 2.893,357 4.12,358 3.054,359 6.072,360 3.753,361 2.758,362 3.521,363 0.98,364 8.765,365 2.747,366 3.914,367 2.978,368 5.533,369 3.548,370 2.554,371 3.443,372 0.359,373 7.486,374 2.535,375 3.722,376 2.9,377 5.44,378 3.246,379 2.328,380 3.144,382 6.727,383 2.111,384 3.416,385 2.483,386 5.06,387 3.051,388 2.096,389 2.737,391 5.993,392 1.986,393 3.25,394 2.18,395 4.975,396 2.953,397 1.965,398 2.555,400 5.805,401 1.924,402 3.24,403 1.993,404 4.851,405 2.756,406 1.807,407 2.336,409 5.216,410 1.664,411 2.874,412 1.816,413 4.216,414 2.451,415 1.442,416 1.94,418 3.8,419 1.451,420 2.825,421 1.754,422 3.949,423 2.41,424 1.414,425 1.91,427 3.036,428 1.407,429 2.74,430 1.519,431 3.594,432 2.237,433 1.245,434 1.79,436 2.94,437 1.222,438 2.531,439 1.202,440 3.59,441 2.059,442 1.057,443 1.5,445 2.708,446 1.048,447 2.5,448 1.074,449 3.414,450 2,451 1,452 1.5,454 2.275,455 1,456 2.5,457 1,458 3.396,459 2,460 1,461 1.479,463 2.136,464 1,465 2.128,466 1,467 3.247,468 1.618,469 0.615,470 0.887,472 1.559,473 0.602,474 16.181,475 0.49,476 0.763,477 0.023,478 45.25,479 1.371,480 24.5,481 0.742,482 20.75,483 0.629,484 26.722,485 0.81,486 33.019,487 0.59,488 36.234,489 1.098,490 9.125,491 0.277,492 6.956,493 0.211,494 0.085,496 0.328,501 0.572,502 1.146,503 0.615,504 0.897,505 0.502,506 0.846,507 0.74,508 1.049,509 0.755,510 0.89,511 0.569,512 0.901,513 0.97,514 1.211,515 0.976,516 1.124,517 0.898,518 1.086,519 1.304,520 0.951,521 0.943,522 0.907,523 1.358,524 0.934,525 0.918,526 1.014,527 0.705,528 0.927,529 0.96,530 0.925,531 0.905,532 0.911,533 0.765,534 0.935,535 1.127,536 0.949,537 0.791,538 1.121,539 0.798,540 1.072,541 0.841,542 1.07,543 1.111,544 0.924,545 0.945,546 0.928,547 1.193,548 0.966,549 6,550 0.172,551 3.556,552 2.514,553 1.739,554 1.119,555 0.804,556 0.551,557 0.448,558 0.261,559 15976,560 42785,561 2.15,562 41.1,564 20,565 1,568 2,572 1.755,573 2.041,574 3.636,575 -0.841,582 82.564,583 1.474,584 3.366,585 4.42,586 5.207,587 5.379,588 5.379,589 3.075,590 4.597,591 5.013,592 3.771,593 1990.99,594 8.798,595 29463.9,600 325.212,601 1.301,602 4.989,603 0.162,604 0.006,605 0.068,606 0.047,607 0.036,608 0.022,609 0.015,610 0.011,611 0.011,612 0.007,613 0.387,614 0.33,615 0.75,616 0.467,617 174.612,618 0.003,619 -0.113,620 0.034,621 -0.018,622 -0.024,623 0.013,624 0.004,625 0.025,626 -0.015,627 -0.001,628 -0.001,629 -0.021,630 -0.052,631 -0.21,632 -0.09,633 -0.177,634 -0.004,635 -0.144,636 -0.103,637 0.073,638 -0.046,639 0.051,640 -0.092,641 0.028,642 -0.031,643 -0.009,644 0.045,645 0.017,646 -0.005,647 0.035,648 0.125,649 0.087,650 0.045,651 0.017,652 0.01,653 0.008,654 0.002,655 -0.148,657 -0.109,658 0.012,659 -0.09,660 0.067,661 0.059,662 0.028,663 0.06,664 0.089,665 0.025,666 1.798,667 6.221,668 0.818,669 35.118,670 0.998,671 1.106,672 4.22,673 17.811,674 0.717,675 3.638,676 3.97,677 4.263,678 4.543,679 4.812,680 4.89,681 5.056,682 5.226,683 5.323,684 5.438,685 7.312,686 0.68,687 454.98,688 3.638,689 5.187,690 6.047,691 6.93,692 7.81,693 8.701,694 9.59,695 10.487,696 11.382,697 12.282,698 3.6,701 1,706 1,714 2,715 14,720 4,721 1,722 22,740 1,741 56,743 25,744 3,745 37,747 60,748 28,749 20,750 5,751 13,752 4,756 5,757 6,758 1,767 1,770 1,772 24,773 4,777 3,782 2,784 1,786 3,793 23,794 3,796 5,797 1,802 2,808 0.8,809 2,824 1,828 1,829 4,832 1,841 1,849 1,850 1,855 1,859 4,865 1,868 33,876 4,881 1,892 1,893 3.6,896 2,901 16.167,902 10.126,903 7.167,904 3.377,907 4.352,908 1.529,909 1.031,910 6.062,911 12.58,912 3.951,913 4.567,914 5.187,915 5.782,916 6.347,917 6.669,918 7.115,919 7.557,920 7.843,921 8.231,922 0.889,923 53,924 12.249,926 5.324,927 0.026,929 7.715,931 23.507,933 19.784,936 2.215,937 73.111,941 270.735,942 181.365,943 5.023,944 39.149,945 50.29,948 181.365,949 360.174,950 5.023,952 8.852,953 141.715,954 60.128,955 23.839,956 13.915,957 258.964,958 39.149,959 270.735,960 186.388,961 50.29,962 39.149,964 270.735,965 50.29,968 13.875,969 163.037,970 48.625,972 270.735,973 55.313,974 220.513,977 270.735,978 39.65,979 146.738,981 89.438,982 270.735,983 55.313,984 220.513,986 0.583,987 0.341,988 0.185,989 0.107,990 26,991 11,992 0.067,993 4,994 1,995 1.074,996 4.42,997 315.708,998 0.074,999 27,1000 158.465,1005 21.542,1006 9.286,1007 4.599,1008 1.758,1009 53.414,1010 26.785,1015 3.251,1016 1.653,1018 546.562,1019 51,1024 25.966,1026 1.952,1028 0.812,1031 55.902,1032 61.927,1034 0.254,1035 0.58,1036 0.761,1037 0.897,1038 0.926,1039 0.926,1040 5.185,1041 1.807,1042 6.028,1043 5.805,1044 4.654,1045 5.255,1046 2.108,1047 6.843,1048 4.608,1049 6.397,1050 1.442,1051 7.586,1052 5.216,1053 4.205,1054 5.017,1055 0.325,1056 7.732,1057 4.115,1058 7.706,1059 1.414,1060 9.245,1061 3.8,1062 6.248,1063 7.474,1064 2.264,1065 10.862,1066 6.163,1067 9.051,1068 1.245,1069 10.964,1070 3.036,1071 6.635,1072 8.108,1073 0.504,1074 12.618,1075 6.521,1076 10.43,1077 1.057,1078 12.723,1079 2.94,1080 8.135,1081 10.016,1082 2.539,1083 15.27,1084 8.017,1085 11.835,1086 1,1087 14.511,1088 2.708,1089 8.918,1090 11.089,1091 0.585,1092 17.401,1093 8.778,1094 13.261,1095 1,1096 16.32,1097 2.275,1098 10.198,1099 12.765,1100 2.889,1101 19.897,1102 10.046,1103 3.273,1104 0.615,1105 18.147,1106 2.136,1107 11.176,1108 14.067,1109 0.622,1110 22.196,1111 11,1112 2.902,1113 11.526,1114 19.987,1115 1.559,1116 12.37,1117 15.647,1118 3.289,1119 24.643,1120 12.176,1121 2.758,1122 9.226,1123 21.839,1124 4.652,1125 13.441,1126 17.066,1127 0.639,1128 27.017,1129 13.222,1130 2.554,1131 8.765,1132 23.7,1133 3.775,1134 14.606,1135 18.609,1136 3.722,1137 29.452,1138 14.364,1139 2.328,1140 7.486,1141 25.57,1142 3.521,1143 15.724,1144 20.086,1145 0.646,1146 31.86,1147 15.454,1148 2.096,1149 6.727,1150 27.446,1151 3.443,1152 16.882,1153 21.618,1154 4.176,1155 34.295,1156 16.586,1157 1.965,1158 5.993,1159 29.329,1160 3.144,1161 18.024,1162 23.124,1163 0.648,1164 36.72,1165 17.699,1166 14852,1167 24482,1168 25.255,1169 40.154,1170 56.563,1171 58.154,1172 56.999,1173 55.807,1174 55.532,1175 75.105,1176 7.222,1177 159.862,1178 54.177,1179 5.703,1180 5.706,1181 6.689,1182 5.283,1183 5.273,1184 7.652,1185 2.555,1186 19.062,1187 5.186,1188 13.215,1189 1.529,1190 1.572,1191 1.541,1192 1.508,1193 1.501,1194 2.03,1195 0.195,1196 4.321,1197 1.464,1198 4.165,1199 4.193,1200 4.14,1201 4.08,1202 7.43,1203 4.089,1204 3.94,1205 3.98,1206 3.973,1207 3.861,1208 7.425,1209 3.856,1210 3.889,1211 3.908,1212 3.865,1213 3.842,1214 4.948,1215 3.834,1216 3.797,1217 3.832,1218 3.724,1219 3.685,1220 4.894,1221 3.69,1222 3.456,1223 3.501,1224 3.486,1225 3.334,1226 4.753,1227 3.335,1228 3.295,1229 3.338,1230 3.291,1231 3.136,1232 4.362,1233 3.148,1234 3.213,1235 3.27,1236 3.143,1237 3.042,1238 4.282,1239 3.042,1240 3.022,1241 3.058,1242 3.035,1243 2.907,1244 4.175,1245 2.894,1246 0.127,1247 0.1,1248 0.186,1249 0.115,1250 0.088,1251 4.703,1252 0.126,1253 3.706,1254 0.035,1255 6.887,1256 0.312,1257 4.246,1258 0.086,1259 3.273,1260 4.652,1261 1.277,1262 11.526,1263 3.186,1264 1.963,1265 1.941,1266 2.068,1267 2.059,1268 1.3,1269 2.063,1270 1.927,1271 1.897,1272 2.035,1273 2.04,1274 1.166,1275 2.038,1276 1.89,1277 1.869,1278 1.981,1279 1.96,1280 1.101,1281 1.974,1282 1.791,1283 1.758,1284 1.933,1285 1.911,1286 1.069,1287 1.923,1288 1.529,1289 1.484,1290 1.666,1291 1.701,1292 0.846,1293 1.692,1294 1.244,1295 1.201,1296 1.477,1297 1.439,1298 0.701,1299 1.441,1300 1.196,1301 1.133,1302 1.42,1303 1.404,1304 0.588,1305 1.427,1306 1.01,1307 0.964,1308 1.22,1309 1.171,1310 0.365,1311 1.193,1312 4.317,1314 5.645,1315 2.398,1316 7.169,1317 4.844,1318 8.778,1319 7.05,1320 10.431,1323 5.985,1328 2.656,1333 2.292,1340 38.095,1341 82.564,1342 188.503,1343 247.497,1344 291.602,1345 301.212,1346 301.212,1347 57.977,1348 8.228,1349 42.31,1350 42.31,1351 29,1352 12.805,1353 4.7,1354 3.907,1355 47.718,1356 142,1357 155,1358 0.16,1359 234.247,1360 408.03,1361 563.322,1362 47239,1363 1.8,1364 22.786,1365 0.69,1366 0.571,1367 23.286,1368 18.833,1369 16.081,1370 0.435,1371 0.307,1372 10.934,1373 15.452,1374 10.648,1375 8.781,1376 16.369,1377 11.365,1378 14.543,1379 0.28,1380 0.168,1381 14.951,1382 8.759,1383 12.553,1384 0.179,1385 0.09,1386 12.841,1387 6.291,1388 10.379,1389 0.112,1390 0.048,1391 10.546,1392 4.465,1393 8.879,1394 0.073,1395 0.027,1396 9.093,1397 3.241,1398 0.251,1399 101.963,1400 0.199,1401 30.63,1402 0.44,1403 178,1404 474.965,1405 202.667,1406 499.154,1407 675.57,1408 466,1409 211,1410 472.121,1411 231.405,1412 494.478,1413 724.54,1414 466,1415 4.301}
{0 CHEMBL340609,1 1.417,2 12.346,3 4.023,4 16.184,5 103.812,6 6.689,7 0.429,8 4.028,9 4.161,10 3.502,11 3.578,12 5.034,13 3.527,14 4.605,15 4.805,16 3.824,17 3.968,18 5.566,19 3.886,20 4.918,21 5.16,22 3.846,23 4.133,24 5.813,25 4.009,26 5.001,27 5.273,28 3.736,29 4.132,30 5.81,31 3.965,32 4.997,33 5.285,34 3.715,35 4.1,36 5.801,37 3.932,38 4.924,39 5.197,40 3.688,41 4.071,42 5.747,43 3.908,44 4.882,45 5.146,46 3.612,47 3.99,48 5.895,49 3.821,50 4.796,51 5.093,52 3.327,53 3.803,54 5.65,55 3.61,56 0.029,57 0.805,58 12,59 5.259,60 6.2,61 7.213,62 0.191,63 1.323,64 22.478,65 8.49,66 22.206,67 12.121,68 0.297,69 1.671,70 31.704,71 11.486,72 43.266,73 16.3,74 0.281,75 1.668,76 34.477,77 12.811,78 43.442,79 18.44,80 0.375,81 1.583,82 34.562,83 12.456,84 50.796,85 18.312,86 0.28,87 1.528,88 31.861,89 12.195,90 38.569,91 17.298,92 0.402,93 1.499,94 31.031,95 11.861,96 81.687,97 16.406,98 0.386,99 1.348,100 29.072,101 10.249,102 60.008,103 14.428,104 11,105 37,106 0.238,107 0.513,108 0.696,109 0.788,110 0.814,111 0.814,112 3.303,113 1.009,114 -5.37,115 -5.26,116 -4.91,121 41.5,122 1,123 3,124 1,127 4,144 9,145 1,146 2,160 1,176 11,179 1,180 8,187 11,192 6,200 5,206 8,214 7,219 4,227 12,231 1,232 2,239 15,251 10,255 1,256 4,264 3,269 4,277 1,281 1028,282 17.568,283 17.568,284 17.568,285 17.568,286 17.568,287 15.883,288 20.901,289 10.62,290 17.811,291 13.827,292 13.827,293 13.827,294 13.827,295 13.827,296 11.444,297 25.446,298 5.08,299 14.247,300 4.311,301 2.672,302 1.581,303 1.038,304 0.882,305 0.882,306 3.987,310 1,311 1,312 1,313 682,314 3.391,318 297.982,325 1.935,326 22.396,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 55.5,338 321,339 4.208,340 3.707,341 6.405,342 3.92,343 2.966,344 3.71,345 1.94,346 9.746,347 2.824,348 3.941,349 3.018,350 5.616,351 3.684,352 2.722,353 3.457,354 0.916,355 7.787,356 2.627,357 3.752,358 2.929,359 5.33,360 3.465,361 2.469,362 3.07,363 0.555,364 6.946,365 2.46,366 3.594,367 2.633,368 5.138,369 3.329,370 2.373,371 2.632,372 0.172,373 6.254,374 2.26,375 3.23,376 2.539,377 4.953,378 3.025,379 2.071,380 2.431,382 5.86,383 1.965,384 3.172,385 2.224,386 4.741,387 2.801,388 1.81,389 2.238,391 4.915,392 1.766,393 2.825,394 1.567,395 3.666,396 2.421,397 1.425,398 1.926,400 3.05,401 1.418,402 2.5,403 1.499,404 3.583,405 2.115,406 1.128,407 1.5,409 2.672,410 1.105,411 2.5,412 1.077,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.316,421 1,422 3.414,423 2,424 1,425 1.252,427 2.275,428 1,429 2,430 1,431 3.247,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.533,439 0.697,440 3.012,441 1.367,442 0.39,443 0.426,445 0.943,446 0.378,447 1.198,448 0.39,449 2.745,450 0.992,451 0.028,452 0.031,454 0.069,455 0.027,456 0.942,457 0.333,458 2.267,459 0.609,460 -0.319,461 -0.375,463 -0.738,464 -0.288,465 0.625,466 0.063,467 2,468 0.371,469 -0.606,470 -0.68,472 -1.356,473 -0.588,474 12.419,475 0.478,476 0.558,477 0.021,478 30,479 1.154,480 14,481 0.538,482 16,483 0.615,484 23.593,485 0.907,486 28.981,487 0.547,488 20.354,489 0.783,490 5.83,491 0.224,492 6.784,493 0.261,494 0.09,496 0.266,499 1,501 0.584,502 1.242,503 0.863,504 1.177,505 0.498,506 1.082,507 0.73,508 1.094,509 0.974,510 1.072,511 0.492,512 1.05,513 1.042,514 1.023,515 1.106,516 1.045,517 0.877,518 1.07,519 0.768,520 0.953,521 1.007,522 1.062,523 0.698,524 1.066,525 0.638,526 0.699,527 0.882,528 0.879,529 0.651,530 0.908,531 0.701,532 0.82,533 0.941,534 0.985,535 0.746,536 0.997,537 0.887,538 1.056,539 1.034,540 1.119,541 1.011,542 1.111,543 1.178,544 0.971,545 1.073,546 0.948,547 1.288,548 0.991,549 5,550 0.12,551 2.444,552 1.188,553 1.076,554 0.701,555 0.585,556 0.226,557 0.209,558 0.128,559 8822,560 21549,561 2.059,562 50.9,563 1,564 17,568 3,569 6,572 1.685,573 1.95,574 3.555,575 -0.836,577 1,582 75.09,583 1.417,584 3.056,585 4.147,586 4.69,587 4.846,588 4.846,589 3.061,590 3.902,591 4.671,592 3.741,593 1215.84,594 8.066,595 15994.9,597 1,599 1,600 303.58,601 1.3,602 4.642,603 0.179,604 0.007,605 0.066,606 0.033,607 0.035,608 0.023,609 0.02,610 0.009,611 0.011,612 0.008,613 0.389,614 0.5,615 1,616 0.721,617 130.19,618 0.012,619 -0.148,620 0.052,621 -0.056,622 0.001,623 -0.01,624 0.022,625 -0.064,626 -0.024,627 -0.055,628 0.073,629 -0.047,630 -0.111,631 -0.032,632 -0.131,633 -0.066,634 -0.033,635 -0.093,636 -0.03,637 -0.081,638 -0.058,639 -0.093,640 0.002,641 -0.081,642 0.045,643 0.077,644 0.063,645 0.065,646 0.011,647 0.066,648 0.008,649 0.012,650 0.002,651 -0.012,652 -0.023,653 -0.007,654 0.105,655 -0.119,656 -0.059,657 -0.125,658 0.102,659 -0.121,660 -0.053,661 0.005,662 -0.07,663 -0.001,664 -0.125,665 -0.034,666 1.942,667 5.113,668 0.692,669 26.58,670 0.991,671 1.131,672 4.144,673 17.171,674 0.647,675 3.367,676 3.638,677 3.829,678 4.007,679 4.205,680 4.143,681 4.205,682 4.205,683 4.263,684 4.29,685 7.156,686 0.604,687 354.51,688 3.367,689 4.875,690 5.687,691 6.526,692 7.353,693 8.195,694 9.027,695 9.87,696 10.704,697 11.547,698 3.8,701 1,705 1,715 9,720 3,722 12,740 1,741 53,743 13,744 2,745 28,747 55,748 22,749 12,750 3,751 9,756 3,757 3,763 1,767 2,768 1,770 3,772 13,773 9,774 1,777 1,782 1,786 1,790 1,791 1,793 27,794 4,796 4,802 2,808 1,809 1,829 3,844 1,855 1,859 3,864 1,866 1,868 26,876 7,880 1,881 2,892 1,893 1.9,896 1,901 13.333,902 9.543,903 5.806,904 3.369,907 1.811,908 1.261,909 0.961,910 6.542,911 8.748,912 3.584,913 4.06,914 4.466,915 4.902,916 5.349,917 5.195,918 5.35,919 5.39,920 5.328,921 5.479,922 1,923 36,924 9.676,926 4.027,927 0.026,929 7.712,931 18.897,933 15.559,936 2.212,937 57.5,939 1,940 1,941 317.82,942 129.906,943 6.249,945 25.145,946 14.96,948 129.906,949 342.965,950 21.209,951 8.825,952 19.151,953 85.286,954 29.85,955 18.188,956 14.96,957 317.82,959 317.82,960 136.154,961 40.105,964 262.153,965 95.772,968 31.1,969 105.054,972 332.78,973 31.394,974 129.906,977 317.82,978 35.794,979 100.36,981 40.105,982 317.82,983 46.354,984 129.906,986 0.572,987 0.319,988 0.164,989 0.092,990 16,991 7,992 0.109,993 6,995 1,996 3.93,997 202.024,999 18,1000 110.211,1005 18.756,1006 9.069,1007 5.484,1009 46.354,1010 16.775,1015 1.869,1018 494.079,1019 35,1024 11.981,1028 0.012,1031 52.53,1032 59.943,1034 0.247,1035 0.533,1036 0.724,1037 0.819,1038 0.846,1039 0.846,1040 4.796,1041 1.128,1042 5.638,1043 3.05,1044 4.317,1045 4.745,1046 2.218,1047 6.358,1048 4.258,1049 5.939,1050 1,1051 7.141,1052 2.672,1053 3.761,1054 4.27,1055 1.738,1056 7.086,1057 3.633,1058 7.192,1059 1,1060 8.74,1061 2.275,1062 5.826,1063 6.718,1064 3.016,1065 10.115,1066 5.694,1067 8.47,1068 1,1069 10.397,1070 2.275,1071 6.066,1072 6.991,1073 3.151,1074 11.689,1075 5.857,1076 9.778,1077 0.39,1078 12.091,1079 2.136,1080 7.586,1081 8.958,1082 4.143,1083 14.217,1084 7.375,1085 11.104,1086 0.028,1087 13.813,1088 0.943,1089 8.211,1090 9.596,1091 4.544,1092 16.167,1093 7.923,1094 12.445,1095 -0.319,1096 15.555,1097 0.069,1098 9.486,1099 11.332,1100 5.384,1101 18.52,1102 9.187,1103 2.966,1104 -0.606,1105 17.314,1106 -0.738,1107 10.315,1108 12.184,1109 5.913,1110 20.645,1111 9.942,1112 2.722,1113 9.746,1114 19.087,1115 -1.356,1116 11.472,1117 13.779,1118 6.67,1119 22.939,1120 11.079,1121 2.469,1122 7.787,1123 20.871,1124 3.71,1125 12.411,1126 14.77,1127 7.263,1128 25.144,1129 11.949,1130 2.373,1131 6.946,1132 22.666,1133 3.457,1134 13.513,1135 16.273,1136 7.976,1137 27.42,1138 13.022,1139 2.071,1140 6.254,1141 24.469,1142 3.07,1143 14.512,1144 17.359,1145 8.603,1146 29.662,1147 13.957,1148 1.81,1149 5.86,1150 26.279,1151 2.632,1152 15.591,1153 18.797,1154 9.292,1155 31.933,1156 14.998,1157 1.425,1158 4.915,1159 28.096,1160 2.431,1161 16.623,1162 19.949,1163 9.936,1164 34.192,1165 15.97,1166 8519,1167 13450,1168 18.781,1169 34.302,1170 41.141,1171 41.553,1172 41.815,1173 40.853,1174 40.763,1175 50.346,1176 7.169,1177 109.856,1178 39.625,1179 5.208,1180 5.707,1181 6.206,1182 4.955,1183 4.966,1184 6.71,1185 3.348,1186 16.191,1187 4.824,1188 11.549,1189 1.469,1190 1.484,1191 1.493,1192 1.459,1193 1.456,1194 1.798,1195 0.256,1196 3.923,1197 1.415,1198 3.986,1199 4.033,1200 3.91,1201 3.886,1202 8.201,1203 3.884,1204 3.913,1205 3.948,1206 3.848,1207 3.831,1208 7.428,1209 3.832,1210 3.814,1211 3.861,1212 3.702,1213 3.713,1214 4.758,1215 3.703,1216 3.575,1217 3.627,1218 3.487,1219 3.368,1220 4.645,1221 3.386,1222 3.359,1223 3.43,1224 3.206,1225 3.169,1226 4.32,1227 3.168,1228 3.118,1229 3.206,1230 2.946,1231 2.958,1232 3.988,1233 2.941,1234 3.111,1235 3.2,1236 2.866,1237 2.941,1238 3.789,1239 2.91,1240 2.897,1241 2.967,1242 2.797,1243 2.735,1244 3.674,1245 2.727,1246 0.15,1247 0.132,1248 0.229,1249 0.14,1250 0.106,1251 4.208,1252 0.132,1253 3.707,1254 0.069,1255 6.405,1256 0.348,1257 3.92,1258 0.101,1259 2.966,1260 3.71,1261 1.94,1262 9.746,1263 2.824,1264 1.937,1265 1.899,1266 2.103,1267 2.075,1268 1.483,1269 2.087,1270 1.897,1271 1.867,1272 2.022,1273 2.01,1274 1.173,1275 2.011,1276 1.824,1277 1.777,1278 1.977,1279 1.939,1280 1.095,1281 1.959,1282 1.516,1283 1.458,1284 1.746,1285 1.74,1286 0.958,1287 1.741,1288 1.342,1289 1.272,1290 1.641,1291 1.572,1292 0.825,1293 1.597,1294 1.153,1295 1.064,1296 1.513,1297 1.376,1298 0.726,1299 1.429,1300 1.133,1301 1.058,1302 1.439,1303 1.347,1304 0.655,1305 1.384,1306 0.886,1307 0.821,1308 1.181,1309 1.098,1310 0.402,1311 1.119,1312 4.043,1314 5.323,1316 6.792,1318 8.34,1320 9.925,1322 1.575,1324 13.113,1328 7.263,1332 0.643,1333 4.268,1340 31.989,1341 75.09,1342 161.953,1343 219.766,1344 248.56,1345 256.825,1346 256.825,1347 49.517,1348 6.936,1349 23.55,1350 23.55,1351 18,1352 12.112,1353 3.807,1354 3,1355 44.626,1356 113,1357 104,1358 0.191,1359 197.913,1360 348.66,1361 474.668,1362 9539,1363 1.9,1364 18.355,1365 0.706,1366 0.592,1367 17.485,1368 15.404,1369 12.614,1370 0.451,1371 0.336,1372 9.319,1373 12.216,1374 9.075,1375 7.528,1376 12.22,1377 9.416,1378 11.132,1379 0.301,1380 0.193,1381 10.51,1382 7.141,1383 8.788,1384 0.195,1385 0.116,1386 8.378,1387 5.236,1388 6.906,1389 0.128,1390 0.068,1391 6.754,1392 3.676,1393 5.583,1394 0.085,1395 0.041,1396 5.353,1397 2.679,1398 0.309,1399 78.278,1400 0.231,1401 25.735,1402 0.5,1403 130,1404 375.137,1405 140.874,1406 340.236,1407 452.23,1408 318,1409 147,1410 318.603,1411 157.067,1412 318.672,1413 457.85,1414 300,1415 6.688}
{0 CHEMBL340621,1 1.343,2 12.633,3 4.331,4 18.758,5 121.611,6 6.773,7 0.545,8 4.142,9 4.27,10 3.64,11 3.726,12 5.146,13 3.674,14 4.697,15 4.885,16 3.942,17 4.118,18 5.617,19 4.034,20 5.006,21 5.245,22 3.989,23 4.275,24 5.841,25 4.148,26 5.098,27 5.362,28 3.927,29 4.252,30 5.944,31 4.107,32 5.078,33 5.343,34 3.961,35 4.262,36 5.961,37 4.129,38 5.05,39 5.291,40 3.958,41 4.328,42 5.894,43 4.181,44 5.109,45 5.365,46 3.89,47 4.325,48 5.931,49 4.155,50 5.049,51 5.327,52 3.725,53 4.191,54 5.835,55 4.005,56 0.05,57 0.827,58 13.07,59 5.605,60 8.947,61 7.833,62 0.216,63 1.39,64 24.004,65 9.117,66 20.222,67 13.143,68 0.225,69 1.769,70 33.604,71 12.922,72 28.674,73 18.614,74 0.303,75 1.841,76 37.777,77 14.068,78 44.333,79 20.146,80 0.419,81 1.806,82 37.276,83 13.74,84 56.06,85 19.569,86 0.266,87 1.793,88 35.139,89 14.37,90 36.22,91 20.238,92 0.252,93 1.855,94 37.577,95 15.362,96 44.04,97 21.728,98 0.319,99 1.745,100 35.918,101 13.831,102 45.651,103 20.033,104 2,105 43,106 0.218,107 0.496,108 0.656,109 0.764,110 0.811,111 0.816,112 3.44,113 0.984,114 -5.07,115 -4.97,116 -4.65,121 44.1,123 3,124 1,127 4,144 12,145 2,146 1,147 2,160 1,176 15,179 1,180 10,187 14,192 11,200 5,206 9,214 7,218 2,219 4,227 18,231 1,232 3,239 23,244 3,251 17,255 1,256 7,264 5,269 9,277 1,281 1604,282 20.897,283 20.897,284 20.897,285 20.897,286 20.897,287 18.601,288 19.944,289 12.896,290 21.161,291 16.338,292 16.338,293 16.338,294 16.338,295 16.338,296 13.08,297 25.695,298 6.195,299 16.735,300 4.54,301 2.821,302 1.836,303 1.17,304 0.881,305 0.847,306 4.142,311 1,312 1,313 825,314 3.391,318 461.176,325 1.907,326 16.957,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 62.5,338 379,339 4.326,340 3.727,341 6.609,342 4.042,343 3.072,344 3.791,345 1.2,346 10.443,347 2.98,348 3.941,349 3.018,350 5.73,351 3.687,352 2.724,353 3.459,354 0.916,355 7.792,356 2.632,357 3.907,358 2.759,359 5.616,360 3.507,361 2.517,362 3.456,363 0.293,364 7.663,365 2.49,366 3.604,367 2.554,368 5.329,369 3.452,370 2.457,371 2.682,372 0.172,373 6.942,374 2.441,375 3.355,376 2.233,377 4.955,378 3.039,379 2.084,380 2.614,382 5.869,383 1.981,384 3.169,385 2.175,386 4.667,387 2.876,388 1.9,389 2.244,391 4.808,392 1.849,393 2.95,394 1.8,395 3.861,396 2.487,397 1.52,398 2.119,400 3.293,401 1.466,402 2.823,403 1.517,404 3.595,405 2.416,406 1.421,407 1.923,409 3.043,410 1.412,411 2.59,412 1.323,413 3.51,414 2.145,415 1.171,416 1.597,418 2.705,419 1.138,420 2.5,421 1.22,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1.077,431 3.366,432 2,433 1,434 1.5,436 2.136,437 1,438 2.5,439 1,440 3.247,441 1.984,442 1,443 1.5,445 2.136,446 0.983,447 2.193,448 1,449 3.247,450 1.984,451 1,452 1.056,454 2.136,455 0.983,456 2,457 1,458 3.247,459 1.864,460 0.861,461 1,463 2.047,464 0.856,465 1.475,466 0.578,467 2.958,468 1.274,469 0.279,470 0.32,472 0.693,473 0.275,474 14.533,475 0.484,476 0.465,477 0.016,478 38.75,479 1.292,480 20,481 0.667,482 18.75,483 0.625,484 25.517,485 0.851,486 31.667,487 0.537,488 27.381,489 0.913,490 7.54,491 0.251,492 7.253,493 0.242,494 0.023,496 0.227,501 0.713,502 1.331,503 0.867,504 1.105,505 0.534,506 1.014,507 0.997,508 1.15,509 1.064,510 1.051,511 0.618,512 1.05,513 0.976,514 1.12,515 1.032,516 1.088,517 0.724,518 1.063,519 1.281,520 1.038,521 1.003,522 1.009,523 1.285,524 0.989,525 1.365,526 0.784,527 0.955,528 0.818,529 1.484,530 0.85,531 0.949,532 0.949,533 1.05,534 1.05,535 1.084,536 1.06,537 0.944,538 1.057,539 1.054,540 1.104,541 1.234,542 1.1,543 0.9,544 1.019,545 1.046,546 1.036,547 1.04,548 1.054,549 4,550 0.128,551 2.444,552 1.438,553 1.156,554 0.66,555 0.485,556 0.293,557 0.171,558 0.131,559 13121,560 28735,561 2.148,562 49.2,563 1,564 20,566 2,569 6,572 1.728,573 2.093,574 3.575,575 -0.858,577 1,582 79.228,583 1.343,584 3.062,585 4.047,586 4.713,587 5.001,588 5.035,589 3.007,590 4.215,591 4.877,592 3.782,593 1645.34,594 8.505,595 23787.2,597 1,600 347.076,601 0.982,602 4.873,603 0.121,604 0.006,605 0.057,606 0.033,607 0.03,608 0.016,609 0.012,610 0.008,611 0.006,612 0.005,613 0.293,614 0.33,615 1,616 0.327,617 156.223,618 0.045,619 -0.181,620 0.067,621 -0.052,622 0.041,623 -0.003,624 0.003,625 -0.023,626 -0.093,627 -0.063,628 0.023,629 -0.081,630 -0.027,631 -0.099,632 -0.055,633 -0.105,634 0.063,635 -0.083,636 -0.038,637 -0.075,638 0.002,639 -0.041,640 0.037,641 -0.02,643 0.188,644 0.06,645 0.146,646 0.005,647 0.114,648 -0.038,649 0.027,650 -0.081,651 -0.042,652 -0.07,653 -0.061,654 -0.048,655 -0.12,656 -0.084,657 -0.097,658 -0.12,659 -0.097,660 0.016,661 -0.073,662 -0.064,663 -0.059,664 -0.088,665 -0.069,666 1.62,667 6.163,668 0.8,669 32.364,670 0.985,671 1.12,672 3.839,673 14.738,674 0.667,675 3.526,676 3.784,677 4.025,678 4.234,679 4.443,680 4.369,681 4.489,682 4.575,683 4.635,684 4.673,685 7.462,686 0.621,687 399.58,688 3.526,689 5.03,690 5.855,691 6.696,692 7.534,693 8.381,694 9.226,695 10.076,696 10.924,697 11.776,698 5.1,701 1,705 1,708 1,715 14,716 1,720 3,722 18,730 1,741 59,743 19,744 2,745 33,747 62,748 26,749 17,750 2,751 10,752 1,756 4,757 4,767 2,768 1,770 3,772 18,773 8,774 1,777 1,782 1,786 1,790 1,793 29,794 4,796 4,802 3,808 1,809 1,822 1,829 4,855 1,859 4,868 30,876 7,880 1,881 2,893 1.7,896 1,901 14.333,902 10.267,903 6.75,904 3.724,907 2.029,908 1.278,909 0.984,910 7.021,911 9.329,912 3.784,913 4.27,914 4.756,915 5.217,916 5.672,917 5.503,918 5.791,919 5.982,920 6.162,921 6.344,922 1,923 43,924 11.133,926 4.639,927 0.026,929 7.517,931 21.949,933 18.154,936 2.017,937 60.5,940 1,941 341.362,942 161.669,943 23.034,945 25.145,948 161.669,949 366.507,950 23.034,952 19.151,953 113.715,954 70.177,955 30.347,957 317.82,959 341.362,960 184.703,961 25.145,964 270.735,965 95.772,968 40.37,969 127.548,970 16.786,972 341.362,973 48.179,974 161.669,977 341.362,978 29.859,979 138.058,981 41.93,982 341.362,983 48.179,984 161.669,986 0.562,987 0.325,988 0.177,989 0.098,990 19,991 7,992 0.113,993 7,995 1,996 4.32,997 256.329,999 24,1000 131.207,1005 20.467,1006 10.292,1007 5.638,1009 48.179,1010 27.641,1011 4.041,1015 3.029,1018 551.21,1019 43,1024 13.163,1028 0.046,1031 58.12,1032 66.102,1034 0.228,1035 0.52,1036 0.688,1037 0.801,1038 0.85,1039 0.856,1040 4.98,1041 1.421,1042 5.784,1043 3.293,1044 4.466,1045 4.956,1046 1.683,1047 6.512,1048 4.42,1049 6.115,1050 1.171,1051 7.283,1052 3.043,1053 3.761,1054 4.27,1055 0.57,1056 7.244,1057 3.68,1058 7.36,1059 1,1060 8.886,1061 2.705,1062 5.969,1063 6.952,1064 1.703,1065 10.351,1066 5.87,1067 8.636,1068 1,1069 10.556,1070 2.275,1071 6.155,1072 7.102,1073 0.877,1074 11.99,1075 6.02,1076 9.946,1077 1,1078 12.271,1079 2.136,1080 7.749,1081 9.22,1082 1.856,1083 14.585,1084 7.596,1085 11.28,1086 1,1087 14.019,1088 2.136,1089 8.373,1090 9.796,1091 1.159,1092 16.606,1093 8.182,1094 12.634,1095 0.861,1096 15.792,1097 2.136,1098 9.689,1099 11.622,1100 2.065,1101 19.033,1102 9.477,1103 3.072,1104 0.279,1105 17.582,1106 2.047,1107 10.542,1108 12.449,1109 1.472,1110 21.226,1111 10.292,1112 2.724,1113 10.443,1114 19.388,1115 0.693,1116 11.73,1117 14.099,1118 2.309,1119 23.597,1120 11.455,1121 2.517,1122 7.792,1123 21.205,1124 3.791,1125 12.703,1126 15.086,1127 1.815,1128 25.871,1129 12.391,1130 2.457,1131 7.663,1132 23.032,1133 3.459,1134 13.836,1135 16.622,1136 2.579,1137 28.223,1138 13.496,1139 2.084,1140 6.942,1141 24.868,1142 3.456,1143 14.873,1144 17.715,1145 2.18,1146 30.534,1147 14.496,1148 1.9,1149 5.869,1150 26.711,1151 2.682,1152 15.984,1153 19.175,1154 2.868,1155 32.881,1156 15.578,1157 1.52,1158 4.808,1159 28.561,1160 2.614,1161 17.054,1162 20.341,1163 2.556,1164 35.209,1165 16.613,1166 12294,1167 18332,1168 22.94,1169 39.37,1170 48.572,1171 49.146,1172 48.755,1173 48.062,1174 48.009,1175 61.522,1176 5.163,1177 127.957,1178 46.969,1179 5.326,1180 5.727,1181 6.411,1182 5.077,1183 5.072,1184 6.791,1185 2.293,1186 17.573,1187 4.98,1188 6.879,1189 1.472,1190 1.489,1191 1.477,1192 1.456,1193 1.455,1194 1.864,1195 0.156,1196 3.877,1197 1.423,1198 4.001,1199 4.046,1200 3.931,1201 3.899,1202 7.428,1203 3.899,1204 3.922,1205 3.96,1206 3.851,1207 3.842,1208 4.887,1209 3.84,1210 3.832,1211 3.871,1212 3.766,1213 3.745,1214 4.764,1215 3.747,1216 3.812,1217 3.858,1218 3.697,1219 3.711,1220 4.743,1221 3.7,1222 3.481,1223 3.553,1224 3.365,1225 3.29,1226 4.322,1227 3.296,1228 3.243,1229 3.302,1230 3.142,1231 3.048,1232 4.012,1233 3.059,1234 3.111,1235 3.206,1236 2.887,1237 2.941,1238 3.79,1239 2.91,1240 3.04,1241 3.099,1242 2.866,1243 2.857,1244 3.682,1245 2.86,1246 0.131,1247 0.113,1248 0.2,1249 0.122,1250 0.093,1251 4.326,1252 0.115,1253 3.727,1254 0.036,1255 6.609,1256 0.316,1257 4.042,1258 0.09,1259 3.072,1260 3.791,1261 1.2,1262 10.443,1263 2.98,1264 1.941,1265 1.903,1266 2.104,1267 2.078,1268 1.483,1269 2.089,1270 1.913,1271 1.882,1272 2.033,1273 2.025,1274 1.175,1275 2.027,1276 1.826,1277 1.786,1278 1.997,1279 1.944,1280 1.106,1281 1.964,1282 1.817,1283 1.776,1284 1.93,1285 1.928,1286 0.974,1287 1.935,1288 1.454,1289 1.381,1290 1.707,1291 1.671,1292 0.943,1293 1.687,1294 1.194,1295 1.131,1296 1.513,1297 1.421,1298 0.825,1299 1.429,1300 1.153,1301 1.064,1302 1.452,1303 1.376,1304 0.68,1305 1.427,1306 1.004,1307 0.951,1308 1.224,1309 1.241,1310 0.422,1311 1.24,1312 4.205,1314 5.476,1316 6.952,1318 8.509,1320 10.105,1328 7.452,1332 0.661,1333 4.467,1340 36.627,1341 79.228,1342 180.64,1343 238.772,1344 278.056,1345 295.076,1346 297.076,1347 46.74,1348 7.3,1349 36.44,1350 36.44,1351 24,1352 12.333,1353 4.322,1354 3.459,1355 47.086,1356 133,1357 142,1358 0.167,1359 225.703,1360 391.61,1361 542.475,1362 14646,1364 20.598,1365 0.687,1366 0.579,1367 20.598,1368 17.36,1369 14.793,1370 0.448,1371 0.328,1372 10.738,1373 14.453,1374 10.502,1375 8.722,1376 14.793,1377 10.826,1378 12.523,1379 0.291,1380 0.187,1381 12.523,1382 8.022,1383 10.59,1384 0.193,1385 0.108,1386 10.59,1387 5.957,1388 8.578,1389 0.126,1390 0.062,1391 8.578,1392 4.193,1393 6.988,1394 0.083,1395 0.037,1396 6.988,1397 3.077,1398 0.267,1399 90.984,1400 0.209,1401 28.786,1402 0.444,1403 152,1404 360.671,1405 160.431,1406 358.428,1407 494.75,1408 338,1409 174,1410 361.383,1411 183.486,1412 371.084,1413 536.21,1414 350,1415 7.194}
{0 CHEMBL340625,1 1.544,2 14.172,3 3.432,4 11.776,5 110.29,6 7.481,7 0.387,8 4.063,9 4.166,10 3.625,11 3.548,12 5.201,13 3.549,14 4.589,15 4.752,16 3.947,17 3.89,18 5.779,19 3.872,20 4.79,21 4.969,22 3.943,23 4.012,24 5.849,25 3.96,26 4.862,27 5.086,28 3.839,29 3.973,30 5.88,31 3.89,32 4.768,33 4.985,34 3.759,35 3.932,36 5.77,37 3.836,38 4.808,39 5.049,40 3.685,41 3.873,42 5.785,43 3.765,44 4.703,45 4.937,46 3.544,47 3.793,48 5.635,49 3.678,50 4.628,51 4.859,52 3.506,53 3.736,54 5.565,55 3.62,56 0.064,57 0.72,58 10.691,59 4.941,60 7.932,61 6.111,62 0.547,63 1.114,64 20.984,65 7.617,66 44.435,67 9.909,68 0.418,69 1.282,70 26.465,71 9.966,72 43.344,73 12.702,74 0.677,75 1.326,76 30.537,77 10.313,78 61.538,79 13.925,80 0.407,81 1.254,82 26.592,83 9.807,84 45.454,85 13.314,86 0.561,87 1.242,88 29.251,89 9.927,90 60.094,91 13.766,92 0.54,93 1.144,94 26.081,95 8.784,96 52.217,97 12,98 0.403,99 1.066,100 23.745,101 8.386,102 41.434,103 11.572,104 20,105 41,106 0.257,107 0.595,108 0.806,109 0.893,110 0.9,111 0.9,112 3.407,113 0.907,114 -3.86,115 -3.82,116 -3.63,121 41.5,123 1,126 2,127 3,137 2,144 7,145 2,146 3,160 1,161 1,176 8,179 2,180 11,183 2,187 9,192 8,200 6,205 2,206 8,211 2,214 5,218 1,219 5,224 2,227 3,231 1,232 7,237 1,239 2,243 1,244 4,247 1,251 2,255 1,256 3,264 3,268 1,269 3,274 1,277 5,281 1426,282 19.541,283 19.541,284 19.541,285 19.541,286 19.541,287 17.678,288 26.211,289 11.801,290 20.071,291 15.281,292 15.281,293 15.281,294 15.281,295 15.281,296 12.266,297 33.12,298 5.621,299 16.059,300 4.184,301 2.155,302 0.89,303 0.368,304 0.33,305 0.33,306 4.092,311 1,312 1,313 871,314 4,318 290.094,322 151.876,325 2.178,326 28.89,329 1,330 1,331 0.83,332 1,333 0.5,334 1,335 1,336 0.9,337 64,338 411,339 4.328,340 3.66,341 6.212,342 3.923,343 2.96,344 3.97,345 2.186,346 9.341,347 2.848,348 4.105,349 3.625,350 5.681,351 3.723,352 2.761,353 3.688,354 1.674,355 7.996,356 2.661,357 3.728,358 3.02,359 5.291,360 3.382,361 2.454,362 3.057,363 0.916,364 6.818,365 2.265,366 3.672,367 2.982,368 5.269,369 3.321,370 2.373,371 2.885,372 0.86,373 6.741,374 2.243,375 3.429,376 2.655,377 4.953,378 3.119,379 2.163,380 2.652,381 0.366,382 5.782,383 2.049,384 3.373,385 2.61,386 4.862,387 3.04,388 2.061,389 2.514,390 0.172,391 5.592,392 1.99,393 3.081,394 2.166,395 4.584,396 2.764,397 1.793,398 2.167,400 4.812,401 1.731,402 2.981,403 1.817,404 4.388,405 2.531,406 1.574,407 2.108,409 4.285,410 1.495,411 2.663,412 1.646,413 3.579,414 2.324,415 1.372,416 1.733,418 2.941,419 1.298,420 2.482,421 1.276,422 3.483,423 2.171,424 1.181,425 1.446,427 2.598,428 1.166,429 2.356,430 1.101,431 3.287,432 1.784,433 0.801,434 1.156,436 1.857,437 0.781,438 1.562,439 0.987,440 2.982,441 1.333,442 0.413,443 0.453,445 0.956,446 0.376,447 1.507,448 0.762,449 2.822,450 1.298,451 0.382,452 0.409,454 0.558,455 0.346,456 1.29,457 0.701,458 2.575,459 0.838,460 -0.145,461 -0.174,463 -0.36,464 -0.14,465 1.183,466 0.629,467 2.401,468 0.763,469 -0.23,470 -0.321,472 -0.529,473 -0.224,474 13.467,475 0.464,476 0.643,477 0.022,478 36.75,479 1.267,480 18,481 0.621,482 18.75,483 0.647,484 22.183,485 0.765,486 32.133,487 0.606,488 28.396,489 0.979,490 7.729,491 0.267,492 6.3,493 0.217,494 0.124,496 0.29,501 0.793,502 1.4,503 0.769,504 1.222,505 0.592,506 1.025,507 0.822,508 0.906,509 0.87,510 0.914,511 0.483,512 0.886,513 1.147,514 1.121,515 1.041,516 1.115,517 0.829,518 1.069,519 1.017,520 0.919,521 0.996,522 0.916,523 0.916,524 0.947,525 0.832,526 1.141,527 1.019,528 1.154,529 0.856,530 1.133,531 0.885,532 1.026,533 0.964,534 1.006,535 0.733,536 1.006,537 1.013,538 0.936,539 1.132,540 0.99,541 0.918,542 1.072,543 0.86,544 1.121,545 1.057,546 1.123,547 0.794,548 1.135,549 6.5,550 0.136,551 2.222,552 1.625,553 1.329,554 0.66,555 0.525,556 0.283,557 0.234,558 0.132,559 12667,560 38078,561 2.033,562 45.3,564 21,567 1,570 2,572 1.711,573 1.912,574 3.788,575 -0.336,577 1,582 81.824,583 1.544,584 3.572,585 4.838,586 5.36,587 5.398,588 5.398,589 3.237,590 4.789,591 4.833,592 3.978,593 1615.26,594 8.369,595 24168.6,597 1,599 1,600 303.58,601 1.358,602 4.792,603 0.21,604 0.006,605 0.054,606 0.041,607 0.038,608 0.021,609 0.018,610 0.011,611 0.01,612 0.006,613 0.414,614 0.33,615 1,616 1.064,617 153.035,618 -0.038,619 -0.213,620 0.055,621 -0.128,622 -0.044,623 -0.034,624 0.162,625 0.21,626 0.061,627 0.081,628 0.198,629 0.064,630 -0.139,631 -0.115,632 -0.091,633 -0.097,634 -0.046,635 -0.086,636 -0.024,637 0.043,638 -0.001,639 0.056,640 -0.026,641 0.036,642 -0.022,643 -0.151,644 -0.071,645 -0.152,646 -0.038,647 -0.129,648 0.01,649 -0.092,650 0.031,651 -0.034,652 0.036,653 -0.004,654 -0.093,655 0.037,656 -0.145,657 -0.028,658 -0.108,659 -0.089,660 -0.031,661 -0.156,662 -0.089,663 -0.139,664 -0.053,665 -0.132,666 2.152,667 4.328,668 0.552,669 31.306,670 1.011,671 1.125,672 2.634,673 6.939,674 0.654,675 3.466,676 3.738,677 3.912,678 4.127,679 4.331,680 4.317,681 4.317,682 4.394,683 4.331,684 4.174,685 8.402,686 0.63,687 396.48,688 3.466,689 4.977,690 5.784,691 6.629,692 7.453,693 8.303,694 9.134,695 9.986,696 10.821,697 11.675,698 3.8,701 1,705 1,715 7,720 5,722 12,737 1,739 1,741 53,743 15,744 2,745 31,747 55,748 22,749 12,750 5,751 7,752 3,756 3,757 4,770 1,772 16,773 6,777 3,782 2,784 2,786 2,790 1,793 24,794 7,795 1,796 7,802 2,808 0.667,809 5,829 3,833 1,846 1,849 2,855 1,859 2,864 2,868 29,876 4,877 1,878 3,881 1,893 9.4,896 2,898 3,901 15.167,902 10.033,903 6.528,904 3.053,907 2.642,908 1.362,909 0.946,910 7.414,911 9.944,912 3.714,913 4.22,914 4.677,915 5.185,916 5.697,917 5.839,918 6,919 6.278,920 6.268,921 5.978,922 1,923 40,924 10.686,926 4.378,927 0.026,929 7.868,931 20.165,933 15.727,936 2.368,937 68.667,939 1,940 1,941 270.735,942 149.473,943 21.135,945 83.29,948 149.473,949 354.025,950 21.135,951 16.793,952 29.349,953 85.286,954 57.481,955 58.225,956 6.763,957 270.735,959 270.735,960 170.608,961 83.29,964 247.193,965 106.832,968 32.473,969 119.182,970 18.952,972 270.735,973 104.425,974 149.473,977 270.735,978 47.394,979 105.203,980 18.011,981 83.29,982 270.735,983 104.425,984 149.473,986 0.568,987 0.314,988 0.163,989 0.093,990 17,991 8,992 0.164,993 9,994 1,995 1.125,996 4.241,997 228.741,998 0.125,999 16,1000 140.881,1005 21.056,1006 10.211,1007 6.427,1009 104.425,1010 12.925,1015 3.625,1017 18.011,1018 524.633,1019 40,1024 22.645,1026 3.133,1028 -0.86,1031 53.56,1032 59.611,1034 0.27,1035 0.624,1036 0.845,1037 0.936,1038 0.942,1039 0.942,1040 4.927,1041 1.574,1042 5.74,1043 4.812,1044 4.419,1045 4.905,1046 2.897,1047 6.457,1048 4.325,1049 6.097,1050 1.372,1051 7.238,1052 4.285,1053 3.892,1054 4.59,1055 1.847,1056 7.125,1057 3.755,1058 7.369,1059 1.181,1060 8.825,1061 2.941,1062 5.927,1063 6.966,1064 3.923,1065 10.163,1066 5.741,1067 8.669,1068 0.801,1069 10.463,1070 2.598,1071 6.155,1072 7.409,1073 3.603,1074 11.619,1075 5.922,1076 9.996,1077 0.413,1078 12.134,1079 1.857,1080 7.663,1081 9.294,1082 5.196,1083 14.164,1084 7.395,1085 11.342,1086 0.382,1087 13.827,1088 0.956,1089 8.274,1090 10.124,1091 5.291,1092 16.001,1093 7.958,1094 12.704,1095 -0.145,1096 15.537,1097 0.558,1098 9.542,1099 11.779,1100 6.578,1101 18.349,1102 9.197,1103 2.96,1104 -0.23,1105 17.262,1106 -0.36,1107 10.362,1108 12.828,1109 6.93,1110 20.381,1111 9.971,1112 2.761,1113 9.341,1114 18.998,1115 -0.529,1116 11.514,1117 14.358,1118 8.023,1119 22.648,1120 11.096,1121 2.454,1122 7.996,1123 20.744,1124 3.97,1125 12.448,1126 15.536,1127 8.539,1128 24.777,1129 11.987,1130 2.373,1131 6.818,1132 22.5,1133 3.688,1134 13.547,1135 16.995,1136 9.51,1137 27.014,1138 13.058,1139 2.163,1140 6.741,1141 24.263,1142 3.057,1143 14.542,1144 18.249,1145 10.13,1146 29.192,1147 14.012,1148 2.061,1149 5.782,1150 26.034,1151 2.885,1152 15.619,1153 19.668,1154 11.027,1155 31.419,1156 15.059,1157 1.793,1158 5.592,1159 27.81,1160 2.652,1161 16.647,1162 20.967,1163 11.71,1164 33.621,1165 16.048,1166 12273,1167 21443,1168 20.572,1169 34.659,1170 44.982,1171 47.043,1172 46.012,1173 44.517,1174 44.572,1175 56.477,1176 12.351,1177 120.551,1178 42.495,1179 5.261,1180 5.66,1181 5.897,1182 5.014,1183 4.96,1184 6.97,1185 3.889,1186 15.741,1187 4.848,1188 14.791,1189 1.451,1190 1.518,1191 1.484,1192 1.436,1193 1.438,1194 1.822,1195 0.398,1196 3.889,1197 1.371,1198 3.991,1199 4.007,1200 3.945,1201 3.901,1202 7.436,1203 3.908,1204 3.932,1205 3.954,1206 3.873,1207 3.852,1208 7.432,1209 3.852,1210 3.68,1211 3.74,1212 3.557,1213 3.496,1214 4.905,1215 3.498,1216 3.534,1217 3.591,1218 3.458,1219 3.345,1220 4.813,1221 3.359,1222 3.493,1223 3.52,1224 3.41,1225 3.215,1226 4.511,1227 3.26,1228 3.312,1229 3.384,1230 3.15,1231 3.112,1232 4.318,1233 3.109,1234 3.031,1235 3.085,1236 2.89,1237 2.814,1238 4.212,1239 2.816,1240 2.976,1241 3.021,1242 2.844,1243 2.782,1244 4.056,1245 2.788,1246 0.14,1247 0.118,1248 0.2,1249 0.127,1250 0.095,1251 4.328,1252 0.128,1253 3.66,1254 0.071,1255 6.212,1256 0.301,1257 3.923,1258 0.092,1259 2.96,1260 3.97,1261 2.186,1262 9.341,1263 2.848,1264 1.931,1265 1.92,1266 2.035,1267 2.042,1268 1.254,1269 2.036,1270 1.91,1271 1.885,1272 2.012,1273 2.018,1274 1.13,1275 2.018,1276 1.649,1277 1.586,1278 1.883,1279 1.859,1280 1.095,1281 1.866,1282 1.441,1283 1.415,1284 1.691,1285 1.734,1286 0.783,1287 1.719,1288 1.401,1289 1.333,1290 1.643,1291 1.638,1292 0.681,1293 1.633,1294 1.301,1295 1.222,1296 1.562,1297 1.521,1298 0.598,1299 1.539,1300 1.004,1301 0.93,1302 1.354,1303 1.265,1304 0.497,1305 1.281,1306 0.925,1307 0.879,1308 1.203,1309 1.193,1310 0.402,1311 1.199,1312 4.143,1314 5.425,1316 6.889,1318 8.44,1320 10.039,1322 3.548,1328 2.948,1329 2.427,1330 16.107,1333 2.168,1340 33.412,1341 81.824,1342 189.341,1343 256.419,1344 284.07,1345 286.07,1346 286.07,1347 52.087,1348 7.302,1349 81.01,1350 81.01,1351 18,1352 12.234,1353 4,1354 3.322,1355 53.021,1356 150,1357 131,1358 0.168,1359 206.845,1360 372.47,1361 496.462,1362 17041,1364 20.64,1365 0.712,1366 0.569,1367 20.64,1368 16.513,1369 14.029,1370 0.453,1371 0.302,1372 9.193,1373 13.315,1374 8.944,1375 7.471,1376 14.029,1377 9.371,1378 12.391,1379 0.302,1380 0.163,1381 12.391,1382 6.681,1383 9.603,1384 0.196,1385 0.088,1386 9.603,1387 4.313,1388 7.667,1389 0.126,1390 0.048,1391 7.667,1392 2.911,1393 6.162,1394 0.082,1395 0.025,1396 6.162,1397 1.891,1398 0.279,1399 89.126,1400 0.22,1401 28.568,1402 0.424,1403 144,1404 496.656,1405 163.964,1406 462.114,1407 617.77,1408 432,1409 162,1410 443.442,1411 179.783,1412 442.314,1413 640.4,1414 413,1415 8.244}
{0 CHEMBL340672,1 1.299,2 11.72,3 3.817,4 14.573,5 103.595,6 6.349,7 0.444,8 4.019,9 4.155,10 3.456,11 3.58,12 4.967,13 3.516,14 4.594,15 4.799,16 3.756,17 3.97,18 5.461,19 3.871,20 4.904,21 5.151,22 3.774,23 4.136,24 5.684,25 3.992,26 4.991,27 5.267,28 3.693,29 4.133,30 5.732,31 3.954,32 4.993,33 5.282,34 3.671,35 4.101,36 5.761,37 3.927,38 4.917,39 5.193,40 3.61,41 4.073,42 5.688,43 3.893,44 4.861,45 5.135,46 3.459,47 3.994,48 5.626,49 3.793,50 4.772,51 5.078,52 3.247,53 3.807,54 5.486,55 3.586,56 0.054,57 0.735,58 12.492,59 5.226,60 7.688,61 7.461,62 0.206,63 1.228,64 22.655,65 8.441,66 19.275,67 12.481,68 0.248,69 1.552,70 30.868,71 11.417,72 27.069,73 16.783,74 0.235,75 1.613,76 33.409,77 12.778,78 30.313,79 18.691,80 0.281,81 1.578,82 33.674,83 12.481,84 39.819,85 18.266,86 0.259,87 1.477,88 31.038,89 12.168,90 32.373,91 17.476,92 0.206,93 1.366,94 29.215,95 11.791,96 32.071,97 16.796,98 0.259,99 1.223,100 26.808,101 10.172,102 33.249,103 14.909,104 6,105 35,106 0.218,107 0.483,108 0.654,109 0.754,110 0.808,111 0.814,112 3.266,113 1.035,114 -5,115 -4.9,116 -4.59,121 41.5,122 1,123 3,124 1,127 4,144 10,145 1,146 1,160 1,176 13,179 1,180 8,187 13,192 6,200 5,206 9,214 7,219 4,227 12,231 1,232 3,239 17,251 11,255 1,256 4,264 5,269 4,277 1,281 923,282 17.121,283 17.121,284 17.121,285 17.121,286 17.121,287 15.46,288 19.274,289 10.533,290 17.301,291 13.361,292 13.361,293 13.361,294 13.361,295 13.361,296 11.039,297 24.784,298 5.043,299 13.656,300 4.429,301 2.849,302 1.835,303 1.241,304 0.92,305 0.882,306 3.952,310 1,311 1,312 1,313 625,314 3.317,318 283.743,325 1.936,326 12.564,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 52,338 293,339 4.181,340 3.706,341 6.402,342 3.909,343 2.956,344 3.611,345 1.94,346 9.737,347 2.815,348 3.941,349 3.018,350 5.616,351 3.683,352 2.721,353 3.457,354 0.916,355 7.787,356 2.626,357 3.606,358 2.72,359 5.329,360 3.461,361 2.463,362 2.822,363 0.555,364 6.943,365 2.458,366 3.518,367 2.553,368 4.961,369 3.103,370 2.109,371 2.629,372 0.172,373 5.871,374 2.101,375 3.172,376 2.233,377 4.919,378 3.019,379 2.05,380 2.238,382 5.387,383 1.964,384 2.885,385 1.803,386 3.767,387 2.448,388 1.44,389 2.005,391 3.116,392 1.445,393 2.822,394 1.517,395 3.594,396 2.412,397 1.414,398 1.923,400 3.038,401 1.409,402 2.5,403 1.221,404 3.471,405 2.052,406 1.065,407 1.5,409 2.496,410 1.047,411 2.5,412 1.077,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.261,421 1,422 3.247,423 2,424 1,425 1.198,427 2.136,428 1,429 2,430 1,431 3.247,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.479,439 0.618,440 2.952,441 1.315,442 0.331,443 0.364,445 0.817,446 0.324,447 1.146,448 0.337,449 2.706,450 0.95,451 -0.028,452 -0.032,454 -0.071,455 -0.028,456 0.704,457 0.137,458 2.189,459 0.452,460 -0.535,461 -0.603,463 -1.212,464 -0.527,465 0.57,466 -0.382,467 2,468 0.158,469 -0.829,470 -1,472 -1.853,473 -0.813,474 12.133,475 0.485,476 0.452,477 0.018,478 29.25,479 1.17,480 14,481 0.56,482 15.25,483 0.61,484 22.292,485 0.892,486 27.467,487 0.518,488 18.793,489 0.752,490 5.627,491 0.225,492 6.594,493 0.264,494 0.069,496 0.231,501 0.715,502 1.392,503 0.946,504 1.179,505 0.547,506 1.093,507 0.951,508 1.179,509 1.068,510 1.071,511 0.546,512 1.066,513 1.253,514 1.077,515 1.131,516 1.046,517 0.992,518 1.068,519 0.948,520 1.084,521 1.023,522 1.067,523 0.828,524 1.052,525 1.199,526 0.881,527 0.96,528 0.885,529 1.17,530 0.899,531 1.031,532 0.894,533 1.025,534 0.986,535 1.125,536 1.003,537 1.047,538 1.078,539 1.077,540 1.12,541 1.387,542 1.114,543 0.902,544 0.951,545 0.961,546 0.951,547 1.099,548 0.965,549 4,550 0.112,551 2,552 1.125,553 0.884,554 0.59,555 0.463,556 0.201,557 0.159,558 0.088,559 7973,560 16610,561 2.085,562 52.8,563 1,564 18,568 3,569 6,572 1.675,573 2,574 3.49,575 -0.869,577 1,582 68.866,583 1.299,584 2.879,585 3.893,586 4.487,587 4.808,588 4.846,589 2.893,590 4.084,591 4.616,592 3.68,593 1103.92,594 7.953,595 14108.2,597 1,599 1,600 303.58,601 1.164,602 4.597,603 0.148,604 0.008,605 0.057,606 0.033,607 0.029,608 0.02,609 0.017,610 0.009,611 0.009,612 0.006,613 0.336,614 0.5,615 1,616 0.663,617 123.395,618 0.051,619 -0.184,620 0.061,621 -0.057,622 0.018,623 -0.009,624 0.058,625 -0.031,626 -0.052,627 -0.053,628 0.068,629 -0.059,630 -0.136,631 -0.027,632 -0.128,633 -0.066,634 -0.062,635 -0.09,636 -0.016,637 -0.11,638 -0.047,639 -0.094,640 0.034,641 -0.076,642 -0.064,643 0.075,644 0.029,645 0.066,646 -0.029,647 0.058,648 -0.024,649 0.069,650 -0.047,651 -0.008,652 -0.055,653 -0.025,654 -0.054,655 -0.151,656 -0.109,657 -0.126,658 -0.133,659 -0.126,660 0.076,661 -0.043,662 0.007,663 -0.005,664 -0.053,665 -0.009,666 1.535,667 4.99,668 0.72,669 24.643,670 0.981,671 1.125,672 3.768,673 14.197,674 0.648,675 3.332,676 3.584,677 3.784,678 3.97,679 4.143,680 4.043,681 4.111,682 4.174,683 4.205,684 4.234,685 6.928,686 0.596,687 336.52,688 3.332,689 4.828,690 5.638,691 6.472,692 7.296,693 8.134,694 8.963,695 9.802,696 10.632,697 11.472,698 3.8,701 1,705 1,715 10,720 2,722 12,741 53,743 13,744 2,745 27,747 55,748 22,749 12,750 2,751 10,756 3,757 3,763 1,767 2,768 1,770 3,772 13,773 9,774 1,777 1,782 1,786 1,790 1,793 28,794 3,796 3,802 2,808 1,809 1,829 3,844 1,855 1,859 3,864 1,868 25,876 7,880 1,881 2,893 1.9,896 1,901 12.5,902 9.483,903 5.639,904 3.389,907 1.785,908 1.261,909 0.96,910 6.381,911 8.625,912 3.555,913 4.007,914 4.413,915 4.85,916 5.266,917 5.022,918 5.213,919 5.359,920 5.26,921 5.421,922 0.875,923 34,924 9.286,926 3.8,927 0.026,929 7.493,931 18.476,933 15.19,936 1.993,937 49.833,939 1,940 1,941 329.591,942 130.261,943 6.249,945 25.145,948 130.261,949 354.736,950 6.249,951 8.825,952 19.151,953 94.762,954 29.85,955 9.067,957 329.591,959 329.591,960 136.51,961 25.145,964 258.964,965 95.772,968 31.1,969 105.409,972 329.591,973 31.394,974 130.261,977 329.591,978 26.673,979 109.836,981 25.145,982 329.591,983 31.394,984 130.261,986 0.564,987 0.318,988 0.17,989 0.092,990 15,991 6,992 0.109,993 6,995 1,996 3.87,997 190.86,999 18,1000 104.096,1005 17.849,1006 8.937,1007 5.255,1009 31.394,1010 20.722,1015 2.407,1018 491.245,1019 34,1024 11.99,1028 0.132,1031 52.018,1032 59.604,1034 0.227,1035 0.503,1036 0.68,1037 0.783,1038 0.839,1039 0.846,1040 4.754,1041 1.065,1042 5.572,1043 3.038,1044 4.263,1045 4.691,1046 2.218,1047 6.282,1048 4.218,1049 5.879,1050 1,1051 7.064,1052 2.496,1053 3.611,1054 4.06,1055 1.738,1056 6.991,1057 3.515,1058 7.118,1059 1,1060 8.656,1061 2.275,1062 5.753,1063 6.627,1064 3.016,1065 10.047,1066 5.642,1067 8.383,1068 1,1069 10.312,1070 2.136,1071 5.943,1072 6.765,1073 3.151,1074 11.638,1075 5.765,1076 9.679,1077 0.331,1078 12.009,1079 2.136,1080 7.508,1081 8.834,1082 4.143,1083 14.172,1084 7.32,1085 10.997,1086 -0.028,1087 13.737,1088 0.817,1089 8.112,1090 9.359,1091 4.544,1092 16.138,1093 7.849,1094 12.331,1095 -0.535,1096 15.486,1097 -0.071,1098 9.41,1099 11.176,1100 5.384,1101 18.494,1102 9.133,1103 2.956,1104 -0.829,1105 17.253,1106 -1.212,1107 10.231,1108 11.932,1109 5.913,1110 20.627,1111 9.88,1112 2.721,1113 9.737,1114 19.033,1115 -1.853,1116 11.401,1117 13.59,1118 6.67,1119 22.921,1120 11.026,1121 2.463,1122 7.787,1123 20.824,1124 3.611,1125 12.338,1126 14.497,1127 7.263,1128 25.13,1129 11.894,1130 2.109,1131 6.943,1132 22.625,1133 3.457,1134 13.447,1135 16.046,1136 7.976,1137 27.405,1138 12.971,1139 2.05,1140 5.871,1141 24.434,1142 2.822,1143 14.445,1144 17.059,1145 8.603,1146 29.648,1147 13.904,1148 1.44,1149 5.387,1150 26.249,1151 2.629,1152 15.527,1153 18.529,1154 9.292,1155 31.919,1156 14.947,1157 1.414,1158 3.116,1159 28.07,1160 2.238,1161 16.558,1162 19.617,1163 9.936,1164 34.178,1165 15.917,1166 7667,1167 11142,1168 18.375,1169 34.364,1170 39.508,1171 39.674,1172 39.846,1173 39.129,1174 39.1,1175 48.494,1176 7.169,1177 103.476,1178 38.342,1179 5.181,1180 5.706,1181 6.204,1182 4.945,1183 4.956,1184 6.611,1185 3.348,1186 16.173,1187 4.815,1188 9.027,1189 1.463,1190 1.469,1191 1.476,1192 1.449,1193 1.448,1194 1.796,1195 0.266,1196 3.832,1197 1.42,1198 3.984,1199 4.032,1200 3.898,1201 3.886,1202 7.428,1203 3.882,1204 3.908,1205 3.944,1206 3.838,1207 3.832,1208 4.769,1209 3.828,1210 3.812,1211 3.86,1212 3.698,1213 3.713,1214 4.743,1215 3.702,1216 3.569,1217 3.622,1218 3.468,1219 3.369,1220 4.323,1221 3.384,1222 3.359,1223 3.429,1224 3.206,1225 3.169,1226 4.028,1227 3.168,1228 3.116,1229 3.206,1230 2.93,1231 2.958,1232 3.803,1233 2.94,1234 3.111,1235 3.199,1236 2.866,1237 2.941,1238 3.674,1239 2.91,1240 2.869,1241 2.95,1242 2.709,1243 2.735,1244 3.674,1245 2.715,1246 0.155,1247 0.137,1248 0.237,1249 0.145,1250 0.109,1251 4.181,1252 0.134,1253 3.706,1254 0.072,1255 6.402,1256 0.361,1257 3.909,1258 0.104,1259 2.956,1260 3.611,1261 1.94,1262 9.737,1263 2.815,1264 1.938,1265 1.899,1266 2.104,1267 2.075,1268 1.483,1269 2.088,1270 1.903,1271 1.871,1272 2.03,1273 2.009,1274 1.174,1275 2.016,1276 1.826,1277 1.777,1278 1.996,1279 1.939,1280 1.101,1281 1.961,1282 1.519,1283 1.46,1284 1.753,1285 1.739,1286 0.966,1287 1.746,1288 1.342,1289 1.272,1290 1.641,1291 1.572,1292 0.825,1293 1.597,1294 1.153,1295 1.064,1296 1.513,1297 1.376,1298 0.729,1299 1.429,1300 1.134,1301 1.058,1302 1.44,1303 1.347,1304 0.655,1305 1.385,1306 0.886,1307 0.821,1308 1.181,1309 1.095,1310 0.406,1311 1.13,1312 4.007,1314 5.273,1316 6.735,1318 8.277,1320 9.856,1322 1.662,1328 7.74,1332 0.72,1333 4.46,1340 31.606,1341 68.866,1342 152.573,1343 206.321,1344 237.805,1345 254.825,1346 256.825,1347 38.693,1348 6.841,1349 23.55,1350 23.55,1351 18,1352 12.039,1353 3.807,1354 3,1355 42.038,1356 105,1357 96,1358 0.194,1359 196.715,1360 342.59,1361 471.744,1362 8446,1364 17.485,1365 0.699,1366 0.604,1367 17.485,1368 15.103,1369 12.22,1370 0.453,1371 0.345,1372 9.245,1373 11.941,1374 8.982,1375 7.48,1376 12.22,1377 9.316,1378 10.51,1379 0.3,1380 0.2,1381 10.51,1382 7,1383 8.378,1384 0.195,1385 0.12,1386 8.378,1387 5.165,1388 6.754,1389 0.13,1390 0.07,1391 6.754,1392 3.663,1393 5.353,1394 0.086,1395 0.043,1396 5.353,1397 2.661,1398 0.312,1399 75.049,1400 0.233,1401 24.881,1402 0.507,1403 124,1404 281.026,1405 131.044,1406 278.143,1407 380.88,1408 262,1409 140,1410 275.27,1411 147.157,1412 282.162,1413 404.59,1414 266,1415 7.284}
{0 CHEMBL340807,1 1.46,2 6.313,3 2.474,4 6.119,5 64.151,6 7.143,7 0.556,8 3.515,9 3.633,10 3.069,11 3.073,12 4.551,13 3.049,14 4.057,15 4.236,16 3.429,17 3.463,18 5.024,19 3.425,20 4.187,21 4.373,22 3.46,23 3.568,24 5.152,25 3.506,26 4.234,27 4.432,28 3.279,29 3.551,30 5.134,31 3.435,32 4.253,33 4.534,34 2.922,35 3.355,36 4.993,37 3.174,38 3.955,39 4.254,40 2.594,41 2.993,42 4.701,43 2.817,44 3.596,45 3.882,46 2.185,47 2.515,48 4.375,49 2.342,50 3.026,51 3.244,52 1.69,53 2.076,54 3.871,55 1.948,56 0.02,57 0.435,58 6.477,59 2.775,60 5.115,61 3.698,62 0.108,63 0.708,64 12.329,65 4.606,66 12.7,67 6.282,68 0.145,69 0.821,70 14.021,71 5.194,72 15.244,73 7.178,74 0.156,75 0.836,76 14.752,77 5.618,78 14.505,79 7.923,80 0.119,81 0.757,82 16.371,83 6.139,84 15.883,85 8.91,86 0.105,87 0.556,88 12.382,89 4.27,90 13.546,91 6.348,92 0.143,93 0.343,94 8.887,95 3.009,96 12.301,97 4.242,98 0.099,99 0.192,100 4.881,101 1.551,102 7.78,103 1.964,104 6,105 26,106 0.278,107 0.664,108 0.819,109 0.849,110 0.849,111 0.849,112 2.856,113 0.916,114 -2.87,115 -2.88,116 -2.78,121 43.3,122 1,123 1,126 1,127 1,144 3,145 2,146 1,154 2,159 1,176 4,180 4,185 3,187 5,192 2,195 1,197 3,200 5,206 2,209 1,211 1,214 4,219 3,227 2,232 2,239 1,243 1,244 1,281 188,282 11.025,283 11.025,284 11.025,285 11.025,286 11.025,287 9.621,288 11.567,289 6.343,290 11.324,291 8.82,292 8.82,293 8.82,294 8.82,295 8.82,296 6.595,297 11.734,298 2.921,299 9.203,300 3.447,301 1.424,302 0.609,303 0.45,304 0.45,305 0.45,306 3.532,311 1,312 1,313 220,314 2,317 19.432,318 56.361,321 79.753,325 1.102,326 8.73,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 34,338 101,339 4.681,340 3.399,341 6.847,342 4.237,343 3.257,344 4.621,345 0.986,346 11.399,347 3.192,348 4.003,349 2.91,350 5.938,351 3.574,352 2.61,353 3.493,354 0.86,355 8.223,356 2.516,357 3.609,358 2.64,359 5.342,360 3.175,361 2.226,362 2.956,364 6.71,365 2.106,366 3.196,367 2.046,368 4.968,369 2.775,370 1.811,371 2.484,373 5.447,374 1.74,375 2.902,376 1.676,377 4.357,378 2.374,379 1.43,380 1.997,382 3.916,383 1.347,384 2.498,385 1.413,386 3.839,387 2.278,388 1.295,389 1.496,391 3.087,392 1.271,393 1.93,394 1.054,395 3.203,396 1.554,397 0.62,398 0.781,400 1.399,401 0.574,402 1.573,403 0.671,404 2.831,405 1.273,406 0.384,407 0.447,409 0.64,410 0.34,411 0.88,412 0.098,413 2.407,414 0.674,415 -0.287,416 -0.321,418 -0.636,419 -0.275,420 0.765,421 -0.349,422 2.3,423 0.3,424 -0.666,425 -0.883,427 -1.649,428 -0.633,429 0.599,430 -0.496,431 2.245,432 0.204,433 -0.755,434 -0.945,436 -2.02,437 -0.721,438 0.242,439 -0.896,440 2,441 -0.191,442 -1.173,443 -1.506,445 -3.398,446 -1.151,447 -0.108,448 -1.119,449 1.58,450 -0.396,451 -1.355,452 -1.673,454 -3.723,455 -1.283,456 -0.305,457 -1.227,458 1.263,459 -0.692,460 -1.581,461 -1.975,463 -4.21,464 -1.412,465 -0.5,466 -1.684,467 1.189,468 -0.911,469 -1.891,470 -2.452,472 -5.606,473 -1.79,474 7.633,475 0.477,476 0.38,477 0.024,478 20.5,479 1.281,480 10,481 0.625,482 10.5,483 0.656,484 11.097,485 0.694,486 16.967,487 0.566,488 11.722,489 0.733,490 4.121,491 0.258,492 3.671,493 0.229,494 0.131,496 0.393,501 0.903,502 1.248,503 0.805,504 1.066,505 0.891,506 0.942,507 1.254,508 1.024,509 0.804,510 0.808,511 1.011,512 0.762,513 1.117,514 1.024,515 1.021,516 0.967,517 1.095,518 0.973,519 0.883,520 1.227,521 1.279,522 1.284,523 1.044,524 1.317,525 0.686,526 1.021,527 0.978,528 1.087,529 0.725,530 1.073,531 0.768,532 0.908,533 0.93,534 0.957,535 0.934,536 0.953,537 1.254,538 0.835,539 0.987,540 0.985,541 1.071,542 0.975,543 2.965,544 0.909,545 1.588,546 0.936,547 2.301,548 1.117,549 3,551 2,552 1.514,553 0.902,554 0.403,555 0.258,556 0.072,557 0.031,559 1856,560 4318,561 2.135,562 46.7,564 8,567 1,568 3,569 2,572 1.555,573 2,574 2.696,575 -0.291,577 1,578 1,579 1,582 43.798,583 1.46,584 3.483,585 4.298,586 4.457,587 4.457,588 4.457,589 2.203,590 3.5,591 3.971,592 2.749,593 329.907,594 6.704,595 2721.73,597 1,599 1,600 147.207,601 1.406,602 3.933,603 0.167,605 0.077,606 0.058,607 0.045,608 0.031,609 0.029,610 0.014,611 0.01,613 0.431,614 1,615 1,616 0.875,617 62.516,618 -0.022,619 -0.111,620 0.069,621 -0.036,622 -0.039,623 0.02,624 -0.11,625 0.034,626 0.143,627 0.179,628 0.026,629 0.188,630 -0.102,631 0.068,632 -0.09,634 -0.1,635 -0.037,636 -0.05,637 -0.172,638 -0.367,639 -0.315,640 -0.215,641 -0.37,642 0.023,643 -0.134,644 -0.012,645 -0.113,646 0.074,647 -0.074,648 0.016,649 -0.01,650 0.062,651 -0.016,652 -0.007,653 0.028,654 0.19,655 -0.026,656 0.07,657 -0.043,658 0.194,659 -0.01,660 -0.622,661 -0.069,662 -0.497,663 -0.002,664 -0.542,665 -0.22,666 0.777,667 1.731,668 0.813,669 8.344,670 0.994,671 1.123,672 1.641,673 2.692,674 0.668,675 2.944,676 3.296,677 3.638,678 3.951,679 4.205,680 4.304,681 4.419,682 4.489,683 4.248,684 4.06,685 3.832,686 0.631,687 214.29,688 2.944,689 4.489,690 5.371,691 6.275,692 7.179,693 8.092,694 9.003,695 9.919,696 10.834,697 11.752,698 6.7,706 1,707 1,714 2,715 3,717 1,720 3,722 10,725 1,739 1,741 30,743 11,744 1,745 18,747 32,748 13,749 8,750 3,751 3,752 1,756 3,757 6,763 1,767 1,770 1,772 9,773 4,777 1,785 1,786 1,790 1,793 14,794 2,795 1,796 3,802 2,808 0.333,809 1,824 1,828 1,829 2,832 2,859 1,864 2,868 16,876 2,878 1,893 3.3,898 1,901 8,902 6.117,903 3.528,904 1.803,907 2.469,908 1.379,909 1.024,910 2.163,911 8.984,912 3.219,913 3.897,914 4.581,915 5.248,916 5.825,917 6.247,918 6.662,919 7.029,920 6.991,921 7.032,922 1,923 26,924 5.895,926 2.481,927 0.026,929 7.5,931 11.56,933 9.628,936 2,937 32,938 0.005,941 153.024,942 71.437,943 33.571,945 11,948 71.437,949 164.024,950 33.571,951 19.708,952 4.64,953 28.429,954 2.757,955 55.573,956 4.901,957 153.024,959 153.024,960 105.008,961 11,964 129.482,965 34.542,968 47.036,969 57.971,972 153.024,973 44.571,974 71.437,977 153.024,978 23.3,979 48.137,980 16.786,981 27.785,982 153.024,983 44.571,984 71.437,986 0.584,987 0.361,988 0.201,989 0.114,990 15,991 6,992 0.031,993 1,994 2,995 1.308,996 2.822,997 116.448,998 0.308,999 13,1000 64,1005 9.761,1006 3.546,1007 1.442,1008 2.436,1009 27.785,1010 6.181,1012 3.43,1015 3.473,1017 16.786,1018 269.032,1019 24,1027 4.463,1028 1.108,1031 29.833,1032 33.697,1034 0.298,1035 0.71,1036 0.876,1037 0.908,1038 0.908,1039 0.908,1040 4.46,1041 0.384,1042 5.371,1043 1.399,1044 3.97,1045 4.58,1046 1.487,1047 6.236,1048 3.898,1049 5.7,1050 -0.287,1051 6.961,1052 0.64,1053 3.611,1054 4.543,1056 7.235,1057 3.526,1058 7.042,1059 -0.666,1060 8.653,1061 -0.636,1062 5.609,1063 6.913,1064 1.382,1065 10.375,1066 5.487,1067 8.426,1068 -0.755,1069 10.404,1070 -1.649,1071 6.089,1072 7.732,1074 12.222,1075 5.955,1076 9.843,1077 -1.173,1078 12.193,1079 -2.02,1080 7.566,1081 9.579,1082 1.294,1083 14.889,1084 7.407,1085 11.284,1086 -1.355,1087 14.009,1088 -3.398,1089 8.432,1090 10.792,1092 17.087,1093 8.261,1094 12.745,1095 -1.581,1096 15.845,1097 -3.723,1098 9.71,1099 12.439,1100 1.219,1101 19.597,1102 9.519,1103 3.257,1104 -1.891,1105 17.696,1106 -4.21,1107 10.752,1108 13.831,1110 21.936,1111 10.546,1112 2.61,1113 11.399,1114 19.56,1115 -5.606,1116 11.958,1117 15.402,1118 1.156,1119 24.394,1120 11.734,1121 2.226,1122 8.223,1123 21.434,1124 4.621,1125 13.075,1126 16.873,1128 26.79,1129 12.835,1130 1.811,1131 6.71,1132 23.316,1133 3.493,1134 14.258,1135 18.416,1136 1.103,1137 29.23,1138 14,1139 1.43,1140 5.447,1141 25.205,1142 2.956,1143 15.408,1144 19.92,1146 31.648,1147 15.133,1148 1.295,1149 3.916,1150 27.1,1151 2.484,1152 16.585,1153 21.453,1154 1.058,1155 34.083,1156 16.291,1157 0.62,1158 3.087,1159 28.999,1160 1.997,1161 17.75,1162 22.971,1164 36.51,1165 17.438,1166 1850,1167 2885,1168 12.137,1169 20.034,1170 27.45,1171 27.725,1172 28.544,1173 27.194,1174 27.267,1175 36.55,1176 3.692,1177 81.644,1178 26.171,1179 5.509,1180 5.399,1181 6.395,1182 5.274,1183 5.257,1184 7.621,1185 1.972,1186 18.704,1187 5.192,1188 6.501,1189 1.525,1190 1.54,1191 1.586,1192 1.511,1193 1.515,1194 2.031,1195 0.205,1196 4.536,1197 1.454,1198 4.16,1199 4.191,1200 4.125,1201 4.073,1202 5.014,1203 4.082,1204 3.681,1205 3.726,1206 3.603,1207 3.551,1208 4.697,1209 3.557,1210 3.323,1211 3.385,1212 3.199,1213 3.092,1214 4.423,1215 3.101,1216 3.228,1217 3.316,1218 3.042,1219 3.053,1220 4.007,1221 3.043,1222 3.091,1223 3.181,1224 2.884,1225 2.87,1226 3.772,1227 2.862,1228 2.845,1229 2.914,1230 2.673,1231 2.711,1232 3.584,1233 2.691,1234 2.527,1235 2.647,1236 2.266,1237 2.263,1238 3.272,1239 2.249,1240 2.295,1241 2.371,1242 2.131,1243 2.141,1244 3.022,1245 2.128,1246 0.26,1247 0.189,1248 0.38,1249 0.235,1250 0.181,1251 4.681,1252 0.257,1253 3.399,1254 0.055,1255 6.847,1256 0.633,1257 4.237,1258 0.177,1259 3.257,1260 4.621,1261 0.986,1262 11.399,1263 3.192,1264 1.94,1265 1.922,1266 2.029,1267 2.023,1268 1.26,1269 2.024,1270 1.79,1271 1.742,1272 1.926,1273 1.965,1274 1.067,1275 1.957,1276 1.277,1277 1.21,1278 1.607,1279 1.548,1280 0.737,1281 1.56,1282 1.18,1283 1.095,1284 1.559,1285 1.446,1286 0.577,1287 1.494,1288 1.139,1289 1.062,1290 1.365,1291 1.39,1292 0.463,1293 1.395,1294 0.854,1295 0.793,1296 1.08,1297 1.022,1298 0.25,1299 1.046,1300 0.676,1301 0.601,1302 0.981,1303 0.885,1304 0.057,1305 0.926,1306 0.439,1307 0.319,1308 0.837,1309 0.748,1311 0.783,1312 3.611,1314 4.949,1315 2.398,1316 6.503,1317 4.844,1318 8.154,1319 7.066,1320 9.854,1322 3.751,1328 1.927,1330 5.231,1340 18.918,1341 43.798,1342 104.478,1343 128.942,1344 133.697,1345 133.697,1346 133.697,1347 14.894,1348 6.515,1349 37.38,1350 37.38,1351 17,1352 12.262,1353 3.585,1354 2.807,1355 21.713,1356 39,1357 38,1358 0.316,1359 116.239,1360 192.17,1361 275.382,1362 4686,1364 11.121,1365 0.695,1366 0.594,1367 11.121,1368 9.502,1369 7.792,1370 0.433,1371 0.305,1372 5.417,1373 7.501,1374 5.214,1375 4.33,1376 7.792,1377 5.494,1378 6.983,1379 0.269,1380 0.158,1381 6.983,1382 4.107,1383 6.33,1384 0.171,1385 0.086,1386 6.33,1387 3.186,1388 5.404,1389 0.106,1390 0.046,1391 5.404,1392 2.345,1393 4.493,1394 0.068,1395 0.025,1396 4.493,1397 1.635,1398 0.461,1399 48.73,1400 0.287,1401 15.656,1402 0.97,1403 88,1404 227.714,1405 94.653,1406 220.445,1407 313.14,1408 210,1409 107,1410 237.912,1411 113.849,1412 243.414,1413 358.23,1414 229,1415 4.625}
{0 CHEMBL340854,1 1.361,2 13.625,3 5.3,4 28.092,5 129.385,6 7.286,7 0.611,8 4.15,9 4.26,10 3.714,11 3.767,12 5.208,13 3.731,14 4.679,15 4.835,16 4.047,17 4.161,18 5.681,19 4.104,20 4.934,21 5.125,22 4.066,23 4.277,24 5.898,25 4.18,26 5.011,27 5.25,28 3.935,29 4.214,30 5.908,31 4.09,32 4.891,33 5.123,34 3.964,35 4.169,36 5.784,37 4.063,38 4.899,39 5.108,40 4.006,41 4.215,42 5.889,43 4.117,44 4.916,45 5.136,46 3.956,47 4.215,48 5.875,49 4.1,50 4.885,51 5.123,52 3.872,53 4.106,54 5.879,55 3.99,56 0.039,57 0.759,58 11.722,59 5.418,60 8,61 7.072,62 0.151,63 1.287,64 21.639,65 9.016,66 17.445,67 11.852,68 0.192,69 1.603,70 29.457,71 12.318,72 33.16,73 16.353,74 0.372,75 1.707,76 34.376,77 13.272,78 48.466,79 17.895,80 0.24,81 1.517,82 29.676,83 12.153,84 30.633,85 16.63,86 0.334,87 1.547,88 29.5,89 11.819,90 41.904,91 15.729,92 0.196,93 1.582,94 29.765,95 12.217,96 36.681,97 16.634,98 0.416,99 1.499,100 30.278,101 11.748,102 52.883,103 15.965,104 2,105 49,106 0.219,107 0.542,108 0.703,109 0.809,110 0.846,111 0.863,112 3.502,113 0.919,114 -4.65,115 -4.57,116 -4.3,121 48.3,123 1,127 4,137 1,138 1,144 13,145 4,146 1,153 1,154 1,158 1,176 17,180 8,185 3,187 18,192 8,197 3,200 12,205 1,206 7,211 1,214 8,219 5,222 1,227 14,232 4,235 2,237 1,239 18,244 4,249 1,251 17,255 2,256 5,261 3,264 14,269 1,274 4,277 11,281 1934,282 22.239,283 22.239,284 22.239,285 22.239,286 22.239,287 19.309,288 20.443,289 13.422,290 22.482,291 17.842,292 17.842,293 17.842,294 17.842,295 17.842,296 13.444,297 26.527,298 6.488,299 18.226,300 4.497,301 2.482,302 1.476,303 0.819,304 0.586,305 0.483,306 4.217,311 1,312 1,313 967,314 2.915,317 73,318 405.581,321 132.522,325 2.227,326 20.015,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 67,338 436,339 4.572,340 3.659,341 6.561,342 4.103,343 3.116,344 4.521,345 1.277,346 10.425,347 3.077,348 4.157,349 3.144,350 6.084,351 3.856,352 2.866,353 3.526,354 1.151,355 8.869,356 2.846,357 3.917,358 2.979,359 5.526,360 3.553,361 2.568,362 3.451,363 0.995,364 7.482,365 2.536,366 3.906,367 2.895,368 5.405,369 3.525,370 2.54,371 3.44,372 0.359,373 7.133,374 2.498,375 3.677,376 2.538,377 5.239,378 3.263,379 2.303,380 3.092,382 6.644,383 2.199,384 3.353,385 2.469,386 5.085,387 3.03,388 2.078,389 2.659,391 5.988,392 1.966,393 3.244,394 2.128,395 4.971,396 2.89,397 1.904,398 2.336,400 5.723,401 1.865,402 2.921,403 1.78,404 4.267,405 2.488,406 1.499,407 2.091,409 3.894,410 1.48,411 2.879,412 1.64,413 4.05,414 2.45,415 1.444,416 1.942,418 3.325,419 1.448,420 2.826,421 1.519,422 3.639,423 2.41,424 1.414,425 1.929,427 3.125,428 1.407,429 2.658,430 1.278,431 3.592,432 2.19,433 1.22,434 1.677,436 3.035,437 1.181,438 2.5,439 1.082,440 3.303,441 2,442 1,443 1.5,445 2.136,446 1,447 2.5,448 1.039,449 3.247,450 2,451 1,452 1.5,454 2.136,455 1,456 2.181,457 1,458 3.247,459 1.755,460 0.814,461 1.071,463 1.907,464 0.761,465 1.811,466 1,467 3.105,468 1.483,469 0.559,470 0.683,472 1.331,473 0.511,474 15.467,475 0.483,476 0.602,477 0.019,478 43.5,479 1.359,480 23.5,481 0.734,482 20,483 0.625,484 24.903,485 0.778,486 32.533,487 0.561,488 32.488,489 1.015,490 8.873,491 0.277,492 6.87,493 0.215,494 0.022,496 0.284,501 0.767,502 1.122,503 0.793,504 0.976,505 0.591,506 0.898,507 1.13,508 1.052,509 0.986,510 0.977,511 0.715,512 0.959,513 1.122,514 1.215,515 1.099,516 1.18,517 1.049,518 1.146,519 1.291,520 0.969,521 1.064,522 0.968,523 1.334,524 0.99,525 0.834,526 0.967,527 0.844,528 0.946,529 0.679,530 0.906,531 1.208,532 0.938,533 1.024,534 0.945,535 1.347,536 0.965,537 0.933,538 1.085,539 1.031,540 1.083,541 1.116,542 1.066,543 1.057,544 0.906,545 0.959,546 0.907,547 1.23,548 0.92,549 5.5,550 0.131,551 2.667,552 1.417,553 1.404,554 0.729,555 0.552,556 0.507,557 0.305,558 0.164,559 16241,560 36855,561 2.194,562 44.8,564 22,565 1,567 1,568 2,572 1.744,573 2.133,574 3.725,575 -0.465,582 78.946,583 1.361,584 3.376,585 4.382,586 5.039,587 5.272,588 5.375,589 3.215,590 4.688,591 4.967,592 3.888,593 1928.46,594 8.687,595 28969.8,600 339.763,601 1.043,602 4.964,603 0.153,604 0.005,605 0.054,606 0.03,607 0.035,608 0.017,609 0.012,610 0.012,611 0.008,612 0.005,613 0.331,614 0.33,615 0.88,616 0.313,617 170.154,619 -0.059,620 0.061,621 -0.003,622 -0.019,623 0.029,624 -0.11,625 0.013,626 -0.069,627 -0.021,628 -0.043,629 -0.034,630 -0.064,631 -0.219,632 -0.144,633 -0.205,634 -0.052,635 -0.187,636 -0.053,637 0.014,638 -0.044,639 0.005,640 -0.108,641 -0.016,642 0.112,643 0.004,644 0.143,645 0.043,646 0.092,647 0.087,648 -0.017,649 0.063,650 -0.039,651 0.027,652 -0.046,653 -0.005,654 -0.034,655 -0.09,656 -0.064,657 -0.105,658 -0.013,659 -0.088,660 0.15,661 0.075,662 0.059,663 0.069,664 0.106,665 0.058,666 1.43,667 5.651,668 0.844,669 38.297,670 0.991,671 1.11,672 3.421,673 11.702,674 0.691,675 3.611,676 3.912,677 4.174,678 4.431,679 4.673,680 4.7,681 4.868,682 5.05,683 5.136,684 5.252,685 7.838,686 0.652,687 422.56,688 3.611,689 5.142,690 5.984,691 6.847,692 7.705,693 8.574,694 9.44,695 10.313,696 11.184,697 12.061,698 3.4,701 1,706 1,714 2,715 14,717 1,720 4,722 22,739 1,741 58,743 24,744 3,745 36,747 62,748 28,749 20,750 5,751 13,752 3,756 5,757 6,767 1,770 1,772 23,773 5,777 2,782 1,784 1,786 2,793 26,794 3,795 1,796 4,802 2,808 0.8,809 2,824 1,828 1,829 4,832 1,841 1,849 1,850 1,855 1,859 4,868 32,876 5,878 1,881 1,893 3.4,896 1,898 1,901 15,902 10.283,903 7,904 3.467,907 4.479,908 1.541,909 1.032,910 6.086,911 12.754,912 3.912,913 4.503,914 5.082,915 5.65,916 6.18,917 6.418,918 6.852,919 7.301,920 7.544,921 7.935,922 1,923 47,924 11.853,926 5.049,927 0.026,929 7.557,931 23.138,933 19.334,936 2.057,937 65.833,941 294.278,942 182.995,943 19.91,945 36.145,948 182.995,949 330.422,950 19.91,952 13.444,953 141.715,954 30.278,955 51.468,956 13.915,957 282.506,959 294.278,960 202.905,961 36.145,964 294.278,965 36.145,968 33.354,969 160.075,970 9.476,972 294.278,973 56.055,974 182.995,977 294.278,978 41.28,979 144.839,980 16.786,981 36.145,982 294.278,983 56.055,984 182.995,986 0.574,987 0.329,988 0.177,989 0.1,990 24,991 9,992 0.097,993 6,994 1,995 1.074,996 4.532,997 291.019,998 0.074,999 27,1000 152,1005 20.595,1006 9.456,1007 4.973,1008 2.101,1009 39.269,1010 28.6,1012 3.32,1015 4.25,1017 16.786,1018 533.327,1019 49,1024 12.651,1026 2.041,1028 1.101,1031 57.461,1032 64.398,1034 0.232,1035 0.576,1036 0.748,1037 0.86,1038 0.9,1039 0.918,1040 5.127,1041 1.499,1042 5.938,1043 5.723,1044 4.595,1045 5.19,1046 2.193,1047 6.698,1048 4.556,1049 6.316,1050 1.444,1051 7.456,1052 3.894,1053 4.007,1054 4.832,1055 0.325,1056 7.455,1057 3.966,1058 7.604,1059 1.414,1060 9.072,1061 3.325,1062 6.138,1063 7.369,1064 2.424,1065 10.552,1066 6.065,1067 8.927,1068 1.22,1069 10.747,1070 3.125,1071 6.399,1072 7.898,1073 0.504,1074 12.175,1075 6.329,1076 10.283,1077 1,1078 12.462,1079 3.035,1080 7.948,1081 9.857,1082 2.744,1083 14.76,1084 7.852,1085 11.663,1086 1,1087 14.204,1088 2.136,1089 8.623,1090 10.842,1091 0.585,1092 16.766,1093 8.531,1094 13.064,1095 0.814,1096 15.967,1097 2.136,1098 9.918,1099 12.543,1100 3.11,1101 19.175,1102 9.806,1103 3.116,1104 0.559,1105 17.747,1106 1.907,1107 10.807,1108 13.777,1109 0.622,1110 21.358,1111 10.694,1112 2.866,1113 10.425,1114 19.539,1115 1.331,1116 11.988,1117 15.36,1118 3.506,1119 23.708,1120 11.86,1121 2.568,1122 8.869,1123 21.343,1124 4.521,1125 12.987,1126 16.728,1127 0.639,1128 25.972,1129 12.855,1130 2.54,1131 7.482,1132 23.157,1133 3.526,1134 14.121,1135 18.261,1136 3.923,1137 28.305,1138 13.976,1139 2.303,1140 7.133,1141 24.978,1142 3.451,1143 15.177,1144 19.698,1145 0.646,1146 30.606,1147 15.024,1148 2.078,1149 6.644,1150 26.807,1151 3.44,1152 16.294,1153 21.212,1154 4.356,1155 32.937,1156 16.129,1157 1.904,1158 5.988,1159 28.641,1160 3.092,1161 17.379,1162 22.684,1163 0.648,1164 35.257,1165 17.204,1166 14925,1167 22610,1168 25.137,1169 40.057,1170 53.953,1171 54.606,1172 53.706,1173 53.257,1174 53.261,1175 71.595,1176 7.564,1177 147.763,1178 52.17,1179 5.572,1180 5.659,1181 6.363,1182 5.166,1183 5.116,1184 7.521,1185 2.555,1186 17.208,1187 5.077,1188 7.388,1189 1.499,1190 1.517,1191 1.492,1192 1.479,1193 1.479,1194 1.989,1195 0.21,1196 4.105,1197 1.449,1198 4.142,1199 4.171,1200 4.102,1201 4.058,1202 7.427,1203 4.066,1204 3.94,1205 3.979,1206 3.865,1207 3.863,1208 5.008,1209 3.858,1210 3.901,1211 3.931,1212 3.828,1213 3.839,1214 4.774,1215 3.832,1216 3.798,1217 3.833,1218 3.723,1219 3.685,1220 4.752,1221 3.69,1222 3.468,1223 3.505,1224 3.388,1225 3.325,1226 4.542,1227 3.332,1228 3.264,1229 3.318,1230 3.16,1231 3.085,1232 4.3,1233 3.093,1234 3.196,1235 3.26,1236 3.053,1237 3.032,1238 4.02,1239 3.027,1240 3.105,1241 3.176,1242 2.949,1243 2.958,1244 3.883,1245 2.945,1246 0.127,1247 0.102,1248 0.182,1249 0.114,1250 0.087,1251 4.572,1252 0.126,1253 3.659,1254 0.035,1255 6.561,1256 0.29,1257 4.103,1258 0.085,1259 3.116,1260 4.521,1261 1.277,1262 10.425,1263 3.077,1264 1.957,1265 1.937,1266 2.067,1267 2.059,1268 1.301,1269 2.063,1270 1.921,1271 1.891,1272 2.043,1273 2.027,1274 1.167,1275 2.031,1276 1.89,1277 1.864,1278 2,1279 1.966,1280 1.123,1281 1.981,1282 1.794,1283 1.76,1284 1.936,1285 1.926,1286 1.091,1287 1.933,1288 1.513,1289 1.457,1290 1.681,1291 1.704,1292 0.835,1293 1.7,1294 1.232,1295 1.185,1296 1.479,1297 1.464,1298 0.693,1299 1.462,1300 1.2,1301 1.14,1302 1.461,1303 1.422,1304 0.611,1305 1.439,1306 1.127,1307 1.059,1308 1.394,1309 1.326,1310 0.564,1311 1.356,1312 4.29,1314 5.595,1315 2.398,1316 7.091,1317 4.727,1318 8.671,1319 6.823,1320 10.293,1328 3.421,1330 6.009,1333 2.339,1340 37.794,1341 78.946,1342 195.835,1343 254.147,1344 292.253,1345 305.763,1346 311.763,1347 45.899,1348 8.275,1349 45.33,1350 45.33,1351 29,1352 12.601,1353 4.644,1354 3.807,1355 45.778,1356 148,1357 155,1358 0.146,1359 228.841,1360 395.46,1361 550.133,1362 54255,1364 21.753,1365 0.68,1366 0.561,1367 21.753,1368 17.959,1369 15.742,1370 0.437,1371 0.306,1372 10.927,1373 15.379,1374 10.668,1375 8.829,1376 15.742,1377 11.024,1378 13.914,1379 0.284,1380 0.169,1381 13.914,1382 8.265,1383 11.846,1384 0.185,1385 0.092,1386 11.846,1387 5.919,1388 9.777,1389 0.118,1390 0.05,1391 9.777,1392 4.19,1393 8.236,1394 0.078,1395 0.028,1396 8.236,1397 2.953,1398 0.233,1399 97.006,1400 0.199,1401 30.36,1402 0.388,1403 170,1404 425.449,1405 179.449,1406 419.431,1407 582.25,1408 396,1409 198,1410 428.175,1411 208.477,1412 440.656,1413 640.61,1414 415,1415 4.602}
{0 CHEMBL340866,1 1.404,2 8.962,3 4.121,4 16.986,5 106.642,6 7.308,7 0.552,8 3.942,9 4.066,10 3.505,11 3.542,12 5.022,13 3.509,14 4.449,15 4.615,16 3.825,17 3.928,18 5.471,19 3.871,20 4.677,21 4.882,22 3.762,23 4.01,24 5.631,25 3.899,26 4.772,27 5.026,28 3.745,29 3.965,30 5.693,31 3.853,32 4.637,33 4.83,34 3.877,35 4,36 5.692,37 3.921,38 4.839,39 5.068,40 3.906,41 4.076,42 5.876,43 3.985,44 4.737,45 4.964,46 3.741,47 4.03,48 5.712,49 3.917,50 4.719,51 4.971,52 3.615,53 3.947,54 5.639,55 3.798,56 0.04,57 0.668,58 9.518,59 4.118,60 7.292,61 5.527,62 0.11,63 1.094,64 16.972,65 6.749,66 12.987,67 9.215,68 0.124,69 1.291,70 22.602,71 9.29,72 22.895,73 12.777,74 0.31,75 1.347,76 27.458,77 10.203,78 42.077,79 14.118,80 0.284,81 1.27,82 21.667,83 8.551,84 29.687,85 11.719,86 0.26,87 1.462,88 28.453,89 10.671,90 47.908,91 14.449,92 0.256,93 1.361,94 25.191,95 9.429,96 38.877,97 12.938,98 0.171,99 1.291,100 25.21,101 10.369,102 34.124,103 14.545,104 2,105 39,106 0.237,107 0.546,108 0.675,109 0.769,110 0.779,111 0.779,112 3.305,113 0.907,114 -3.29,115 -3.28,116 -3.14,121 46.8,127 3,137 2,138 2,144 9,145 1,153 2,154 2,158 1,176 10,180 5,185 6,187 9,192 6,197 2,200 9,205 1,206 2,214 5,219 5,222 4,224 2,227 8,232 5,237 2,239 12,244 2,249 2,251 10,256 2,260 1,261 6,264 9,269 1,274 6,277 10,281 976,282 18.016,283 18.016,284 18.016,285 18.016,286 18.016,287 15.578,288 13.2,289 11,290 18.215,291 14.395,292 14.395,293 14.395,294 14.395,295 14.395,296 10.793,297 18.575,298 5.341,299 14.703,300 4.151,301 2.317,302 1.549,303 0.995,304 0.936,305 0.936,306 4.003,311 1,312 1,313 511,314 2.55,317 146.999,318 176.201,325 1.278,326 15.961,328 1,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 54.5,338 233,339 4.392,340 3.681,341 6.457,342 4.072,343 3.071,344 3.853,345 1.057,346 10,347 3.079,348 4.015,349 2.98,350 5.546,351 3.574,352 2.595,353 3.585,354 0.359,355 7.566,356 2.546,357 3.927,358 2.642,359 5.545,360 3.562,361 2.589,362 3.456,363 0.359,364 7.523,365 2.518,366 3.836,367 2.557,368 5.319,369 3.408,370 2.433,371 3.334,373 6.851,374 2.365,375 3.372,376 2.446,377 5.007,378 3.017,379 2.061,380 2.596,382 5.917,383 1.957,384 3.253,385 2.165,386 4.969,387 2.899,388 1.913,389 2.337,391 5.639,392 1.885,393 2.833,394 1.741,395 3.673,396 2.411,397 1.414,398 1.94,400 3.046,401 1.408,402 2.707,403 1.469,404 3.57,405 2.226,406 1.233,407 1.733,409 2.736,410 1.22,411 2.513,412 1.175,413 3.418,414 2.105,415 1.124,416 1.513,418 2.51,419 1.101,420 2.5,421 1.122,422 3.247,423 2,424 1,425 1.5,427 2.136,428 1,429 2.211,430 1,431 3.19,432 1.578,433 0.618,434 0.927,436 1.372,437 0.585,438 2.118,439 0.618,440 3,441 1.567,442 0.618,443 0.927,445 1.372,446 0.585,447 2.118,448 0.618,449 3,450 1.566,451 0.529,452 0.806,454 1.352,455 0.548,456 1.209,457 0.247,458 2.805,459 0.924,460 -0.05,461 -0.062,463 -0.136,464 -0.049,465 1.195,466 0.09,467 2.772,468 0.845,469 -0.124,470 -0.154,472 -0.359,473 -0.12,474 12.533,475 0.482,476 0.482,477 0.019,478 35,479 1.346,480 18.5,481 0.712,482 16.5,483 0.635,484 18.723,485 0.72,486 26.467,487 0.563,488 25.202,489 0.969,490 7.348,491 0.283,492 5.428,493 0.209,494 0.027,496 0.271,501 0.816,502 1.18,503 0.806,504 0.954,505 0.578,506 0.884,507 1.025,508 1.133,509 0.991,510 1.005,511 0.649,512 0.983,513 0.923,514 1.231,515 1.131,516 1.259,517 0.871,518 1.221,519 1.282,520 0.866,521 0.891,522 0.818,523 1.597,524 0.825,525 0.852,526 1.038,527 0.999,528 1.078,529 0.938,530 1.056,531 1.513,532 1.01,533 0.969,534 0.942,535 1.73,536 0.916,537 1.391,538 0.883,539 1.171,540 0.946,541 1.289,542 1.017,543 0.68,544 1.051,545 0.952,546 1.094,547 0.817,548 1.066,549 4.5,550 0.03,551 1.556,552 1.632,553 0.946,554 0.806,555 0.535,556 0.349,557 0.175,558 0.062,559 8075,560 19003,561 2.172,562 44.7,564 17,565 2,567 2,572 1.698,573 2.108,574 3.151,575 0.175,577 1,582 65.965,583 1.404,584 3.238,585 4.006,586 4.56,587 4.618,588 4.618,589 2.457,590 3.306,591 4.67,592 3.341,593 1085.69,594 8.134,595 13803.7,597 1,599 1,600 261.066,601 1.058,602 4.663,603 0.155,604 0.002,605 0.04,606 0.048,607 0.028,608 0.021,609 0.013,610 0.01,611 0.006,612 0.002,613 0.325,614 0.5,615 1,616 0.362,617 126.096,618 -0.037,619 -0.067,620 0.048,621 0.012,622 -0.032,623 0.035,624 -0.117,625 -0.036,626 -0.088,627 -0.055,628 -0.03,629 -0.063,630 -0.046,631 -0.238,632 -0.194,633 -0.279,634 -0.015,635 -0.254,636 0.013,637 0.074,638 0.139,639 0.164,640 -0.094,641 0.16,642 0.262,643 0.002,644 -0.05,645 -0.12,646 0.117,647 -0.118,648 -0.096,649 -0.047,650 0.044,651 0.031,652 -0.04,653 0.047,654 -0.246,655 0.128,656 -0.192,657 0.016,658 -0.141,659 -0.062,660 0.09,661 -0.133,662 0.027,663 -0.087,664 0.046,665 -0.05,666 1.543,667 5.985,668 0.846,669 24.154,670 0.991,671 1.116,672 2.059,673 4.24,674 0.688,675 3.401,676 3.689,677 3.932,678 4.19,679 4.317,680 4.419,681 4.575,682 4.736,683 4.796,684 4.828,685 5.882,686 0.649,687 343.46,688 3.401,689 4.92,690 5.753,691 6.611,692 7.459,693 8.324,694 9.18,695 10.051,696 10.911,697 11.785,698 6.4,701 1,706 2,715 11,717 2,720 3,722 16,741 47,743 19,744 1,745 29,747 50,748 22,749 14,750 1,751 5,752 5,756 4,757 4,772 19,773 3,777 3,782 1,784 2,786 3,790 1,793 21,794 2,795 2,796 4,802 3,808 1,809 1,824 2,828 2,829 2,841 1,849 2,850 2,855 1,859 4,868 26,876 3,881 1,893 2.1,896 1,901 12.333,902 8.2,903 5.722,904 2.689,907 2.597,908 1.364,909 1.033,910 4.892,911 9.738,912 3.714,913 4.263,914 4.8,915 5.302,916 5.559,917 5.821,918 6.174,919 6.537,920 6.805,921 7.121,922 0.833,923 34,924 9.615,926 4.07,927 0.026,929 7.596,931 18.639,933 15.378,936 2.096,937 54.5,940 1,941 223.651,942 148.854,943 36.695,945 25.145,948 148.854,949 248.796,950 36.695,952 6.317,953 122.334,954 30.278,955 46.252,956 29.056,957 200.109,959 223.651,960 185.55,961 25.145,964 223.651,965 25.145,968 43.012,969 123.585,970 18.952,972 223.651,973 61.84,974 148.854,977 223.651,978 26.521,979 125.458,980 33.571,981 25.145,982 223.651,983 61.84,984 148.854,986 0.57,987 0.325,988 0.178,989 0.087,990 19,991 7,992 0.08,993 4,995 1,996 3.911,997 219.243,999 22,1000 102.211,1005 16.676,1006 7.627,1007 4.084,1009 28.269,1010 21.957,1012 6.314,1015 3.156,1017 33.571,1018 434.346,1019 40,1024 12.985,1026 3.921,1028 1.749,1031 46.585,1032 52.441,1034 0.253,1035 0.583,1036 0.721,1037 0.821,1038 0.831,1039 0.831,1040 4.92,1041 1.233,1042 5.7,1043 3.046,1044 4.369,1045 4.949,1046 1.279,1047 6.447,1048 4.332,1049 6.1,1050 1.124,1051 7.209,1052 2.736,1053 3.761,1054 4.425,1055 0.325,1056 7.149,1057 3.723,1058 7.375,1059 1,1060 8.814,1061 2.51,1062 5.894,1063 7.036,1064 1.082,1065 10.263,1066 5.827,1067 8.684,1068 0.618,1069 10.478,1070 2.136,1071 6.155,1072 7.405,1073 0.604,1074 11.809,1075 6.099,1076 10.025,1077 0.618,1078 12.182,1079 1.372,1080 7.678,1081 9.352,1082 1.023,1083 14.406,1084 7.599,1085 11.387,1086 0.529,1087 13.912,1088 1.372,1089 8.35,1090 10.146,1091 0.783,1092 16.33,1093 8.289,1094 12.766,1095 -0.05,1096 15.663,1097 1.352,1098 9.62,1099 11.794,1100 1.023,1101 18.744,1102 9.545,1103 3.071,1104 -0.124,1105 17.429,1106 -0.136,1107 10.5,1108 12.811,1109 0.91,1110 20.857,1111 10.444,1112 2.595,1113 10,1114 19.208,1115 -0.359,1116 11.663,1117 14.308,1118 1.055,1119 23.201,1120 11.601,1121 2.589,1122 7.566,1123 20.998,1124 3.853,1125 12.651,1126 15.449,1127 1.011,1128 25.409,1129 12.606,1130 2.433,1131 7.523,1132 22.797,1133 3.585,1134 13.772,1135 16.868,1136 1.106,1137 27.726,1138 13.727,1139 2.061,1140 6.851,1141 24.604,1142 3.456,1143 14.817,1144 18.08,1145 1.101,1146 29.981,1147 14.786,1148 1.913,1149 5.917,1150 26.42,1151 3.334,1152 15.923,1153 19.456,1154 1.17,1155 32.288,1156 15.897,1157 1.414,1158 5.639,1159 28.241,1160 2.596,1161 16.998,1162 20.712,1163 1.186,1164 34.566,1165 16.984,1166 7565,1167 11706,1168 20.167,1169 32.324,1170 43.725,1171 43.48,1172 42.344,1173 42.419,1174 42.396,1175 57.012,1176 3.549,1177 116.04,1178 41.598,1179 5.392,1180 5.681,1181 6.259,1182 5.112,1183 5.071,1184 6.853,1185 1.816,1186 17.012,1187 5.079,1188 6.099,1189 1.508,1190 1.499,1191 1.46,1192 1.463,1193 1.462,1194 1.966,1195 0.122,1196 4.001,1197 1.434,1198 4.041,1199 4.082,1200 3.983,1201 3.932,1202 7.427,1203 3.939,1204 3.923,1205 3.975,1206 3.859,1207 3.829,1208 4.892,1209 3.824,1210 3.9,1211 3.938,1212 3.827,1213 3.795,1214 4.858,1215 3.804,1216 3.733,1217 3.777,1218 3.662,1219 3.595,1220 4.751,1221 3.605,1222 3.263,1223 3.317,1224 3.159,1225 3.138,1226 4.324,1227 3.126,1228 3.225,1229 3.276,1230 3.111,1231 3.089,1232 3.939,1233 3.093,1234 2.854,1235 2.925,1236 2.708,1237 2.735,1238 3.844,1239 2.715,1240 2.854,1241 2.921,1242 2.687,1243 2.679,1244 3.674,1245 2.674,1246 0.151,1247 0.127,1248 0.223,1249 0.14,1250 0.106,1251 4.392,1252 0.133,1253 3.681,1254 0.036,1255 6.457,1256 0.345,1257 4.072,1258 0.106,1259 3.071,1260 3.853,1261 1.057,1262 10,1263 3.079,1264 1.936,1265 1.904,1266 2.06,1267 2.055,1268 1.268,1269 2.057,1270 1.845,1271 1.82,1272 1.956,1273 1.945,1274 1.093,1275 1.953,1276 1.602,1277 1.565,1278 1.729,1279 1.768,1280 0.87,1281 1.754,1282 1.469,1283 1.423,1284 1.659,1285 1.682,1286 0.749,1287 1.669,1288 1.46,1289 1.401,1290 1.651,1291 1.619,1292 0.658,1293 1.641,1294 1.408,1295 1.333,1296 1.594,1297 1.588,1298 0.648,1299 1.608,1300 1.162,1301 1.11,1302 1.383,1303 1.369,1304 0.531,1305 1.37,1306 1.047,1307 0.976,1308 1.325,1309 1.248,1310 0.501,1311 1.282,1312 4.078,1314 5.371,1315 3.045,1316 6.841,1317 5.13,1318 8.396,1319 6.952,1320 10.002,1328 2.113,1333 2.306,1340 30.52,1341 65.965,1342 152.166,1343 188.272,1344 214.311,1345 217.066,1346 217.066,1347 35.746,1348 7.141,1349 51.89,1350 51.89,1351 22,1352 12.329,1353 4.322,1354 3.585,1355 37.675,1356 93,1357 86,1358 0.201,1359 187.334,1360 322.41,1361 448.854,1362 10931,1364 17.769,1365 0.683,1366 0.557,1367 17.769,1368 14.482,1369 12.776,1370 0.441,1371 0.302,1372 8.685,1373 12.473,1374 8.478,1375 7.056,1376 12.776,1377 8.767,1378 11.229,1379 0.288,1380 0.168,1381 11.229,1382 6.55,1383 9.372,1384 0.187,1385 0.09,1386 9.372,1387 4.524,1388 7.824,1389 0.12,1390 0.051,1391 7.824,1392 3.307,1393 5.633,1394 0.076,1395 0.028,1396 5.633,1397 2.048,1398 0.308,1399 78.754,1400 0.223,1401 24.955,1402 0.573,1403 136,1404 338.046,1405 143.627,1406 338.512,1407 467.77,1408 318,1409 157,1410 343.693,1411 165.654,1412 355.88,1413 513.92,1414 334,1415 4.745}
{0 CHEMBL340867,1 1.436,2 10.37,3 4.899,4 24.004,5 108.256,6 6.769,7 0.4,8 4.075,9 4.203,10 3.573,11 3.597,12 5.085,13 3.563,14 4.656,15 4.854,16 4.002,17 4.038,18 5.627,19 3.989,20 4.894,21 5.072,22 4.107,23 4.253,24 5.827,25 4.174,26 5.139,27 5.393,28 4.014,29 4.301,30 6.006,31 4.176,32 5.094,33 5.345,34 3.85,35 4.166,36 6.047,37 4.012,38 5.012,39 5.317,40 3.574,41 3.856,42 5.894,43 3.717,44 4.397,45 4.598,46 3.538,47 3.638,48 5.436,49 3.568,50 4.435,51 4.626,52 3.489,53 3.682,54 5.544,55 3.597,56 0.039,57 0.786,58 12.459,59 5.066,60 9.415,61 7.086,62 0.41,63 1.309,64 23.755,65 8.421,66 33.714,67 12.227,68 0.174,69 1.651,70 29.536,71 11.27,72 25.946,73 16.01,74 0.378,75 1.925,76 39.505,77 13.144,78 42.052,79 19.613,80 0.303,81 1.683,82 37.856,83 13.839,84 55.614,85 19.692,86 0.671,87 1.314,88 37.551,89 11.385,90 76.848,91 16.057,92 0.267,93 0.893,94 18.744,95 6.7,96 27.096,97 9.164,98 0.332,99 0.956,100 19.529,101 6.556,102 40.582,103 9.084,104 37,105 46,106 0.239,107 0.563,108 0.77,109 0.83,110 0.83,111 0.83,112 3.34,113 0.944,114 -4.75,115 -4.66,116 -4.38,121 40.7,122 3,123 1,125 1,126 2,127 1,130 1,144 6,145 3,146 3,161 1,176 11,179 2,180 7,183 2,185 2,187 12,192 8,197 4,200 11,206 9,211 3,214 6,218 1,219 13,224 2,227 2,231 1,232 3,237 1,239 4,243 1,244 2,247 1,249 2,251 12,255 1,259 1,264 12,269 2,277 10,281 1007,282 17.687,283 17.687,284 17.687,285 17.687,286 17.687,287 16.014,288 25.985,289 9.888,290 18.043,291 14.728,292 14.728,293 14.728,294 14.728,295 14.728,296 12.187,297 35.291,298 4.625,299 15.304,300 4.319,301 2.374,302 1.135,303 0.774,304 0.774,305 0.774,306 4.028,311 1,312 1,313 611,314 3.536,317 104.801,318 146.463,320 84.566,321 89.299,324 125.08,325 1.514,326 18.867,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 57.5,338 280,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 4.342,349 3.685,350 6.408,351 3.967,352 2.987,353 3.995,354 0.966,355 9.731,356 2.929,357 3.974,358 3.085,359 6.211,360 3.629,361 2.674,362 3.315,363 0.693,364 8.827,365 2.555,366 3.66,367 2.817,368 6.169,369 3.387,370 2.448,371 2.872,372 0.366,373 8.457,374 2.283,375 3.466,376 2.742,377 5.442,378 3.279,379 2.345,380 2.592,382 7.153,383 2.174,384 3.295,385 2.502,386 4.857,387 2.939,388 1.972,389 2.481,391 5.423,392 1.889,393 3.232,394 2.147,395 4.841,396 2.879,397 1.879,398 2.423,400 5.104,401 1.879,402 2.856,403 1.747,404 4.695,405 2.438,406 1.49,407 2,409 4.38,410 1.411,411 2.615,412 1.558,413 4.215,414 2.363,415 1.375,416 1.629,418 3.279,419 1.351,420 2.518,421 1.171,422 3.935,423 2.127,424 1.133,425 1.522,427 3.06,428 1.126,429 1.786,430 0.965,431 3.722,432 1.696,433 0.732,434 0.763,436 1.828,437 0.703,438 1.601,439 0.902,440 3.092,441 1.376,442 0.417,443 0.466,445 1.01,446 0.396,447 1.23,448 0.676,449 3.068,450 0.87,451 -0.078,452 -0.094,454 -0.204,455 -0.073,456 1,457 0.007,458 2.671,459 0.653,460 -0.3,461 -0.31,463 -0.744,464 -0.281,465 0.762,466 -0.032,467 2.497,468 0.64,469 -0.347,470 -0.445,472 -0.757,473 -0.347,474 12.867,475 0.477,476 0.95,477 0.035,478 32.75,479 1.213,480 15,481 0.556,482 17.75,483 0.657,484 26.22,485 0.971,486 29.733,487 0.551,488 24.327,489 0.901,490 6.26,491 0.232,492 6.548,493 0.243,494 0.22,495 0.039,496 0.373,501 0.812,502 1.441,503 0.864,504 1.184,505 0.653,506 1.049,507 0.697,508 0.847,509 0.759,510 0.747,511 0.389,512 0.744,513 1.002,514 1.441,515 1.087,516 1.284,517 0.728,518 1.211,519 1.076,520 0.996,521 1.112,522 1.023,523 0.719,524 1.045,525 1,526 1.231,527 1.08,528 1.321,529 1.156,530 1.232,531 2.03,532 0.494,533 0.871,534 0.494,535 2.09,536 0.557,537 1.508,538 0.997,539 0.993,540 0.972,541 1.537,542 0.945,543 1.82,544 0.998,545 1.341,546 1.033,547 2.6,548 1.121,549 7,550 0.233,551 4.667,552 3.958,553 1.939,554 0.764,555 0.694,556 0.332,557 0.299,558 0.302,559 8725,560 18249,561 2.044,562 50,563 9,564 14,565 1,567 1,569 2,572 1.699,573 1.851,574 3.288,575 -0.382,582 77.52,583 1.436,584 3.381,585 4.62,586 4.981,587 4.981,588 4.981,589 2.656,590 4.282,591 4.732,592 3.485,593 1223.39,594 8.201,595 15533.2,597 1,600 310.764,601 1.72,602 4.648,603 0.233,604 0.009,605 0.101,606 0.081,607 0.046,608 0.024,609 0.027,610 0.012,611 0.012,612 0.013,613 0.559,614 0.5,615 1,616 0.658,617 133.046,618 0.003,619 -0.213,620 0.075,621 -0.076,622 -0.059,623 -0.006,624 0.3,625 0.306,626 0.224,627 0.263,628 0.256,629 0.242,630 -0.072,631 -0.318,632 -0.13,633 -0.231,634 -0.02,635 -0.198,636 -0.124,637 0.051,638 -0.128,639 -0.07,640 0.02,641 -0.085,642 0.068,643 -0.299,644 -0.097,645 -0.33,646 0.055,647 -0.246,648 -0.151,649 0.284,650 0.219,651 0.399,652 -0.169,653 0.355,654 0.013,655 0.012,656 0.033,657 0.035,658 -0.014,659 0.028,660 -0.205,661 0.08,662 -0.305,663 -0.051,664 -0.326,665 -0.176,666 2.121,667 5.458,668 0.667,669 21.789,670 0.992,671 1.128,672 3.52,673 12.394,674 0.649,675 3.434,676 3.85,677 4.19,678 4.522,679 4.71,680 4.762,681 4.927,682 4.997,683 5.017,684 5.106,685 6.248,686 0.608,687 365.52,688 3.434,689 5.03,690 5.927,691 6.862,692 7.779,693 8.719,694 9.647,695 10.592,696 11.528,697 12.476,698 5.6,701 1,704 1,705 1,715 6,720 6,722 12,736 1,737 1,741 54,743 13,744 2,745 30,747 57,748 22,749 12,750 6,751 6,756 4,757 7,763 3,764 1,766 1,767 1,770 1,772 13,773 9,777 1,782 1,786 1,793 27,794 5,795 1,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 5,868 27,876 2,877 1,878 1,880 1,881 2,882 1,893 3.7,896 1,898 1,901 14.583,902 11.317,903 5.708,904 3.225,907 2.24,908 1.29,909 0.963,910 4.438,911 9.972,912 3.638,913 4.248,914 4.787,915 5.336,916 5.809,917 5.963,918 6.26,919 6.525,920 6.68,921 6.876,922 0.857,923 49,924 10.018,926 4.299,927 0.026,929 7.583,931 19.553,933 16.629,936 2.083,937 56.25,939 1,940 1,941 306.049,942 131.842,943 24.259,945 36.145,948 131.842,949 342.193,950 24.259,951 43.268,952 22.651,953 56.857,954 25.145,955 37.562,956 18.534,957 294.278,959 306.049,960 156.102,961 36.145,964 282.506,965 59.687,968 52.251,969 103.851,972 306.049,973 60.404,974 131.842,977 306.049,978 31.716,979 106.374,980 18.011,981 36.145,982 306.049,983 60.404,984 131.842,986 0.607,987 0.372,988 0.207,989 0.107,990 25,991 12,992 0.053,993 3,994 2,995 1.222,996 3.741,997 243.634,998 0.222,999 18,1000 118.382,1005 18.33,1006 6.537,1007 2.915,1009 60.404,1010 11.915,1015 5.919,1017 18.011,1018 498.295,1019 37,1024 12.458,1028 -0.455,1031 53.563,1032 60.896,1034 0.249,1035 0.587,1036 0.803,1037 0.866,1038 0.866,1039 0.866,1040 4.949,1041 1.49,1042 5.989,1043 5.104,1044 4.533,1045 4.934,1046 2.466,1047 6.942,1048 4.461,1049 6.187,1050 1.375,1051 7.648,1052 4.38,1053 4.443,1054 4.913,1055 1.905,1056 8.314,1057 4.349,1058 7.538,1059 1.133,1060 9.422,1061 3.279,1062 6.301,1063 7.097,1064 3.531,1065 11.481,1066 6.171,1067 8.924,1068 0.732,1069 11.269,1070 3.06,1071 7.022,1072 7.825,1073 3.612,1074 13.746,1075 6.881,1076 10.345,1077 0.417,1078 13.167,1079 1.828,1080 8.454,1081 9.574,1082 4.913,1083 16.564,1084 8.287,1085 11.791,1086 -0.078,1087 15.102,1088 1.01,1089 9.524,1090 10.644,1091 5.293,1092 19.148,1093 9.346,1094 13.259,1095 -0.3,1096 17.068,1097 -0.204,1098 10.84,1099 12.22,1100 6.388,1101 21.891,1102 10.642,1103 3.737,1104 -0.347,1105 19.058,1106 -0.744,1107 12.052,1108 13.459,1109 6.931,1110 24.576,1111 11.84,1112 2.987,1113 15.306,1114 21.066,1115 -0.757,1116 13.347,1117 14.956,1118 7.902,1119 27.305,1120 13.116,1121 2.674,1122 9.731,1123 23.09,1124 4.206,1125 14.616,1126 16.28,1127 8.539,1128 30.02,1129 14.368,1130 2.448,1131 8.827,1132 25.125,1133 3.995,1134 15.914,1135 17.739,1136 9.436,1137 32.747,1138 15.646,1139 2.345,1140 8.457,1141 27.17,1142 3.315,1143 17.207,1144 19.108,1145 10.13,1146 35.471,1147 16.92,1148 1.972,1149 7.153,1150 29.223,1151 2.872,1152 18.511,1153 20.548,1154 10.981,1155 38.199,1156 18.204,1157 1.879,1158 5.423,1159 31.281,1160 2.592,1161 19.816,1162 21.941,1163 11.71,1164 40.925,1165 19.489,1166 8332,1167 12190,1168 19.304,1169 35.063,1170 46.756,1171 47.825,1172 49.583,1173 46.392,1174 46.377,1175 56.529,1176 8.422,1177 147.114,1178 44.709,1179 5.797,1180 5.973,1181 7.551,1182 5.806,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 16.074,1189 1.559,1190 1.594,1191 1.653,1192 1.546,1193 1.546,1194 1.884,1195 0.281,1196 4.904,1197 1.49,1198 4.094,1199 4.132,1200 4.041,1201 3.998,1202 7.435,1203 4.003,1204 3.95,1205 3.982,1206 3.891,1207 3.884,1208 4.842,1209 3.881,1210 3.7,1211 3.742,1212 3.617,1213 3.563,1214 4.735,1215 3.566,1216 3.399,1217 3.439,1218 3.338,1219 3.125,1220 4.446,1221 3.158,1222 3.272,1223 3.362,1224 3.101,1225 3.114,1226 4.143,1227 3.101,1228 3.266,1229 3.35,1230 3.067,1231 3.047,1232 3.966,1233 3.043,1234 3.227,1235 3.31,1236 3.036,1237 3.004,1238 3.937,1239 3.009,1240 3.04,1241 3.129,1242 2.837,1243 2.845,1244 3.891,1245 2.838,1246 0.161,1247 0.132,1248 0.267,1249 0.157,1250 0.125,1251 4.832,1252 0.14,1253 3.973,1254 0.073,1255 8.006,1256 0.51,1257 4.714,1258 0.122,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.939,1265 1.913,1266 2.055,1267 2.036,1268 1.31,1269 2.041,1270 1.9,1271 1.88,1272 2.003,1273 1.984,1274 1.189,1275 1.99,1276 1.633,1277 1.577,1278 1.832,1279 1.836,1280 1.057,1281 1.837,1282 1.534,1283 1.453,1284 1.787,1285 1.754,1286 1.012,1287 1.774,1288 1.303,1289 1.226,1290 1.639,1291 1.566,1292 0.719,1293 1.557,1294 1.255,1295 1.205,1296 1.58,1297 1.507,1298 0.644,1299 1.546,1300 1.161,1301 1.087,1302 1.453,1303 1.443,1304 0.563,1305 1.434,1306 1.051,1307 0.972,1308 1.45,1309 1.306,1310 0.493,1311 1.357,1312 4.111,1314 5.501,1315 3.045,1316 7.086,1317 5.638,1318 8.766,1319 7.921,1320 10.502,1322 10.583,1328 2.173,1329 2.887,1330 5.627,1332 0.353,1333 4.733,1334 0.057,1340 32.815,1341 77.52,1342 182.551,1343 249.48,1344 268.989,1345 268.989,1346 268.989,1347 42.137,1348 7.731,1349 44.81,1350 44.81,1351 22,1352 12.969,1353 3.807,1354 3,1355 40.361,1356 103,1357 87,1358 0.195,1359 200.112,1360 350.02,1361 480.033,1362 24025,1364 19.345,1365 0.716,1366 0.617,1367 19.345,1368 16.667,1369 12.808,1370 0.427,1371 0.315,1372 9.314,1373 12.358,1374 8.86,1375 7.424,1376 12.808,1377 9.437,1378 12.482,1379 0.271,1380 0.176,1381 12.482,1382 8.093,1383 10.805,1384 0.166,1385 0.096,1386 10.805,1387 6.22,1388 9.581,1389 0.105,1390 0.053,1391 9.581,1392 4.865,1393 7.364,1394 0.067,1395 0.028,1396 7.364,1397 3.098,1398 0.305,1399 79.934,1400 0.228,1401 25.673,1402 0.538,1403 152,1404 375.094,1405 165.359,1406 364.794,1407 510.76,1408 342,1409 187,1410 391.092,1411 200.975,1412 400.263,1413 591.53,1414 373,1415 6.105}
{0 CHEMBL340929,1 1.415,2 11.71,3 5.298,4 28.065,5 123.302,6 7.06,7 0.471,8 4.153,9 4.268,10 3.681,11 3.719,12 5.21,13 3.683,14 4.712,15 4.887,16 4.072,17 4.12,18 5.761,19 4.07,20 4.981,21 5.162,22 4.087,23 4.275,24 5.996,25 4.188,26 5.114,27 5.371,28 4.072,29 4.239,30 6.099,31 4.137,32 4.939,33 5.142,34 4.049,35 4.186,36 6.036,37 4.118,38 4.979,39 5.177,40 4.087,41 4.278,42 6.022,43 4.188,44 5.032,45 5.251,46 4.03,47 4.294,48 6.014,49 4.174,50 5.022,51 5.252,52 3.9,53 4.173,54 6.147,55 4.041,56 0.022,57 0.801,58 12.548,59 5.715,60 8.228,61 7.544,62 0.346,63 1.342,64 23.969,65 9.357,66 30.442,67 12.817,68 0.293,69 1.657,70 32.159,71 12.493,72 43.482,73 16.525,74 0.417,75 1.815,76 39.189,77 13.89,78 62.717,79 19.47,80 0.389,81 1.575,82 31.845,83 11.183,84 65.188,85 14.917,86 0.366,87 1.646,88 32.439,89 12.784,90 50.509,91 17.065,92 0.196,93 1.73,94 34.048,95 13.91,96 40.833,97 19.095,98 0.638,99 1.638,100 35.283,101 13.046,102 98.609,103 17.915,104 29,105 49,106 0.229,107 0.554,108 0.711,109 0.789,110 0.815,111 0.815,112 3.472,113 0.938,114 -4.15,115 -4.1,116 -3.87,121 44.1,122 3,123 1,127 3,132 1,137 1,138 1,144 9,145 3,153 1,154 1,158 1,161 1,176 13,179 3,180 11,187 17,192 7,200 10,205 1,206 18,214 7,219 9,227 9,231 2,232 8,239 18,244 6,251 18,255 4,256 7,264 13,269 3,277 7,281 1666,282 20.463,283 20.463,284 20.463,285 20.463,286 20.463,287 18.172,288 22.341,289 12.022,290 20.748,291 16.842,292 16.842,293 16.842,294 16.842,295 16.842,296 13.277,297 30.255,298 5.788,299 17.296,300 4.467,301 2.455,302 1.482,303 0.998,304 0.835,305 0.835,306 4.164,311 1,312 1,313 778,314 4,317 67.918,318 282.688,321 128.223,325 1.784,326 28.112,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 66,338 363,339 4.69,340 3.849,341 6.855,342 4.234,343 3.275,344 4.644,345 2.172,346 11.429,347 3.156,348 4.194,349 3.659,350 6.448,351 4.046,352 3.095,353 3.537,354 1.277,355 10.146,356 2.925,357 4.129,358 3.272,359 6.115,360 3.871,361 2.881,362 3.446,363 0.995,364 8.964,365 2.857,366 3.915,367 3.002,368 5.825,369 3.553,370 2.561,371 3.283,372 0.359,373 7.827,374 2.536,375 3.705,376 2.976,377 5.522,378 3.334,379 2.361,380 2.952,381 0.262,382 7.425,383 2.275,384 3.395,385 2.482,386 5.107,387 3.04,388 2.083,389 2.716,391 5.954,392 1.988,393 3.247,394 2.174,395 4.972,396 2.935,397 1.936,398 2.336,400 5.683,401 1.921,402 2.938,403 1.826,404 4.337,405 2.454,406 1.449,407 2.075,409 3.891,410 1.453,411 2.87,412 1.761,413 4.159,414 2.418,415 1.429,416 1.94,418 3.639,419 1.407,420 2.824,421 1.519,422 3.595,423 2.41,424 1.414,425 1.886,427 3.036,428 1.4,429 2.587,430 1.202,431 3.59,432 2.124,433 1.135,434 1.581,436 2.765,437 1.119,438 2.5,439 1.074,440 3.535,441 2,442 1,443 1.5,445 2.136,446 1,447 2.168,448 1,449 3.247,450 1.715,451 0.744,452 1.01,454 1.944,455 0.716,456 1.657,457 0.927,458 2.995,459 1.335,460 0.314,461 0.388,463 0.745,464 0.317,465 1.221,466 0.709,467 2.894,468 0.919,469 -0.055,470 -0.068,472 -0.153,473 -0.053,474 14.8,475 0.477,476 0.959,477 0.031,478 38,479 1.226,480 18.5,481 0.597,482 19.5,483 0.629,484 29.123,485 0.939,486 33.2,487 0.563,488 30.575,489 0.986,490 7.484,491 0.241,492 7.315,493 0.236,494 0.146,495 0.034,496 0.291,501 0.68,502 1.316,503 0.814,504 1.124,505 0.569,506 1.006,507 0.694,508 0.995,509 0.817,510 0.908,511 0.486,512 0.872,513 1.341,514 1.241,515 1.19,516 1.181,517 0.981,518 1.172,519 1.052,520 0.925,521 0.831,522 0.849,523 1.125,524 0.814,525 1.583,526 0.929,527 1.104,528 0.89,529 1.657,530 0.916,531 1.123,532 0.993,533 1.053,534 1.022,535 1.222,536 1.03,537 0.783,538 1.182,539 1.021,540 1.192,541 0.828,542 1.147,543 0.974,544 1.014,545 1.117,546 1.078,547 1.145,548 1.111,549 7.5,550 0.197,551 3.111,552 2.639,553 1.677,554 0.976,555 1.105,556 0.582,557 0.413,558 0.296,559 12637,560 29767,561 2.057,562 47.5,564 16,565 1,568 2,569 9,572 1.74,573 1.908,574 3.507,575 -0.831,582 83.504,583 1.415,584 3.428,585 4.401,586 4.884,587 5.047,588 5.047,589 2.943,590 4.607,591 4.924,592 3.684,593 1712.98,594 8.62,595 24282.4,600 347.076,601 1.595,602 4.87,603 0.221,604 0.007,605 0.063,606 0.056,607 0.036,608 0.021,609 0.023,610 0.013,611 0.011,612 0.01,613 0.463,614 0.5,615 1,616 1.064,617 160.628,618 0.011,619 -0.171,620 0.063,621 -0.062,622 -0.046,623 -0.007,624 0.233,625 0.117,626 0.128,627 0.088,628 0.132,629 0.096,630 -0.165,631 -0.208,632 -0.218,633 -0.185,634 -0.104,635 -0.208,636 0.026,637 0.048,638 0.183,639 0.106,640 0.029,641 0.156,642 -0.218,643 0.12,644 -0.091,645 0.067,646 -0.146,647 0.019,648 -0.049,649 0.027,650 -0.083,651 -0.022,652 -0.088,653 -0.054,654 -0.006,655 -0.189,656 -0.076,657 -0.183,658 0.017,659 -0.145,660 0.177,661 -0.04,662 -0.116,663 -0.105,664 0.121,665 -0.143,666 2.089,667 5.744,668 0.677,669 31.476,670 0.994,671 1.119,672 2.921,673 8.534,674 0.666,675 3.555,676 3.912,677 4.127,678 4.431,679 4.663,680 4.745,681 4.92,682 5.075,683 5.094,684 5.182,685 6.962,686 0.628,687 416.56,688 3.555,689 5.118,690 5.958,691 6.855,692 7.718,693 8.62,694 9.495,695 10.4,696 11.284,697 12.19,698 3.4,701 1,706 1,714 2,715 10,720 2,721 1,722 16,737 1,741 59,743 19,744 2,745 34,747 62,748 26,749 14,750 3,751 9,752 4,756 4,757 5,763 3,767 1,770 1,772 18,773 8,774 1,777 3,782 2,784 1,786 3,793 28,794 4,796 5,802 2,808 0.75,809 3,824 1,828 1,829 3,832 1,841 1,849 1,850 1,855 1,859 3,864 3,868 31,876 4,878 1,881 1,882 1,893 5.1,896 2,898 1,901 16.25,902 11.567,903 6.597,904 3.557,907 3.564,908 1.454,909 0.972,910 6.017,911 11.408,912 3.829,913 4.428,914 4.988,915 5.598,916 6.131,917 6.468,918 6.906,919 7.318,920 7.457,921 7.76,922 0.875,923 47,924 11.537,926 4.935,927 0.026,929 7.707,931 22.187,933 18.401,936 2.207,937 68.417,941 329.591,942 165.307,943 5.023,945 61.29,948 165.307,949 390.881,950 5.023,951 26.476,952 8.852,953 103.81,954 55.423,955 28.153,956 20.678,957 317.82,959 329.591,960 170.33,961 61.29,964 223.651,965 167.23,968 40.351,969 120.503,970 9.476,972 329.591,973 66.313,974 165.307,977 329.591,978 35.021,979 135.309,981 61.29,982 329.591,983 66.313,984 165.307,986 0.59,987 0.319,988 0.178,989 0.1,990 24,991 11,992 0.081,993 5,994 1,995 1.095,996 4.153,997 283.268,998 0.095,999 21,1000 144.825,1005 21.39,1006 8.721,1007 5.081,1008 1.696,1009 64.414,1010 19.761,1015 2.087,1016 1.53,1018 561.211,1019 45,1024 25.412,1026 1.933,1028 0.515,1031 58.672,1032 66.022,1034 0.241,1035 0.583,1036 0.748,1037 0.83,1038 0.858,1039 0.858,1040 5.088,1041 1.449,1042 5.984,1043 5.683,1044 4.595,1045 5.115,1046 2.676,1047 6.823,1048 4.542,1049 6.315,1050 1.429,1051 7.562,1052 3.891,1053 4.369,1054 4.997,1055 1.847,1056 7.908,1057 4.276,1058 7.639,1059 1.414,1060 9.243,1061 3.639,1062 6.26,1063 7.32,1064 3.655,1065 10.924,1066 6.139,1067 8.996,1068 1.135,1069 10.986,1070 3.036,1071 6.804,1072 8.021,1073 3.571,1074 12.784,1075 6.635,1076 10.383,1077 1,1078 12.765,1079 2.765,1080 8.227,1081 9.868,1082 4.943,1083 15.378,1084 8.031,1085 11.794,1086 0.744,1087 14.57,1088 2.136,1089 9.107,1090 10.986,1091 5.24,1092 17.549,1093 8.861,1094 13.224,1095 0.314,1096 16.393,1097 1.944,1098 10.356,1099 12.636,1100 6.365,1101 20.01,1102 10.08,1103 3.275,1104 -0.055,1105 18.23,1106 0.745,1107 11.387,1108 13.97,1109 6.865,1110 22.314,1111 11.063,1112 3.095,1113 11.429,1114 20.077,1115 -0.153,1116 12.571,1117 15.542,1118 7.849,1119 24.735,1120 12.213,1121 2.881,1122 10.146,1123 21.933,1124 4.644,1125 13.67,1126 16.982,1127 8.462,1128 27.099,1129 13.266,1130 2.561,1131 8.964,1132 23.797,1133 3.537,1134 14.832,1135 18.525,1136 9.362,1137 29.511,1138 14.391,1139 2.361,1140 7.827,1141 25.666,1142 3.446,1143 15.963,1144 20.015,1145 10.041,1146 31.902,1147 15.478,1148 2.083,1149 7.425,1150 27.541,1151 3.283,1152 17.121,1153 21.55,1154 10.892,1155 34.316,1156 16.596,1157 1.936,1158 5.954,1159 29.421,1160 2.952,1161 18.268,1162 23.064,1163 11.609,1164 36.722,1165 17.701,1166 12145,1167 18778,1168 22.364,1169 39.273,1170 52.58,1171 53.899,1172 51.92,1173 51.43,1174 51.351,1175 66.589,1176 10.13,1177 151.169,1178 50.14,1179 5.69,1180 5.849,1181 6.657,1182 5.309,1183 5.275,1184 7.644,1185 3.872,1186 18.827,1187 5.156,1188 16.437,1189 1.546,1190 1.585,1191 1.527,1192 1.513,1193 1.51,1194 1.959,1195 0.298,1196 4.446,1197 1.475,1198 4.155,1199 4.183,1200 4.124,1201 4.068,1202 7.434,1203 4.077,1204 3.94,1205 3.98,1206 3.865,1207 3.861,1208 7.426,1209 3.856,1210 3.8,1211 3.835,1212 3.725,1213 3.686,1214 4.919,1215 3.691,1216 3.721,1217 3.766,1218 3.604,1219 3.556,1220 4.754,1221 3.556,1222 3.457,1223 3.504,1224 3.359,1225 3.33,1226 4.548,1227 3.33,1228 3.292,1229 3.338,1230 3.198,1231 3.104,1232 4.359,1233 3.12,1234 3.21,1235 3.269,1236 3.09,1237 3.033,1238 4.185,1239 3.032,1240 2.99,1241 3.029,1242 2.858,1243 2.831,1244 3.892,1245 2.83,1246 0.138,1247 0.113,1248 0.202,1249 0.125,1250 0.096,1251 4.69,1252 0.137,1253 3.849,1254 0.064,1255 6.855,1256 0.336,1257 4.234,1258 0.093,1259 3.275,1260 4.644,1261 2.172,1262 11.429,1263 3.156,1264 1.957,1265 1.934,1266 2.068,1267 2.057,1268 1.3,1269 2.062,1270 1.918,1271 1.888,1272 2.029,1273 2.022,1274 1.161,1275 2.02,1276 1.802,1277 1.769,1278 1.952,1279 1.938,1280 1.118,1281 1.943,1282 1.698,1283 1.65,1284 1.935,1285 1.888,1286 1.094,1287 1.904,1288 1.531,1289 1.482,1290 1.673,1291 1.72,1292 0.851,1293 1.709,1294 1.235,1295 1.187,1296 1.477,1297 1.444,1298 0.702,1299 1.442,1300 1.194,1301 1.131,1302 1.421,1303 1.409,1304 0.586,1305 1.433,1306 0.991,1307 0.942,1308 1.417,1309 1.239,1310 0.469,1311 1.308,1312 4.234,1314 5.58,1315 2.398,1316 7.102,1317 4.844,1318 8.705,1319 7.05,1320 10.351,1322 5.546,1328 2.666,1330 5.568,1333 2.287,1334 -0.585,1340 37.036,1341 83.504,1342 202.251,1343 259.653,1344 288.182,1345 297.792,1346 297.792,1347 60.578,1348 7.844,1349 51.54,1350 51.54,1351 23,1352 12.712,1353 4.322,1354 3.585,1355 49.282,1356 128,1357 137,1358 0.186,1359 226.901,1360 398.19,1361 545.399,1362 28653,1364 22.01,1365 0.71,1366 0.59,1367 22.01,1368 18.298,1369 14.799,1370 0.435,1371 0.313,1372 10.524,1373 14.347,1374 10.117,1375 8.447,1376 14.799,1377 10.635,1378 14.406,1379 0.294,1380 0.183,1381 14.406,1382 8.991,1383 10.738,1384 0.176,1385 0.087,1386 10.738,1387 5.319,1388 9.385,1389 0.113,1390 0.047,1391 9.385,1392 3.902,1393 7.595,1394 0.072,1395 0.026,1396 7.595,1397 2.735,1398 0.291,1399 91.858,1400 0.211,1401 29.014,1402 0.515,1403 166,1404 446.497,1405 180.351,1406 432.988,1407 591.33,1408 404,1409 193,1410 436.531,1411 206.803,1412 445.659,1413 649.38,1414 416,1415 4.523}
{0 CHEMBL341251,1 1.391,2 8.65,3 2.533,4 6.418,5 81.981,6 7.01,7 0.5,8 3.719,9 3.845,10 3.246,11 3.306,12 4.76,13 3.265,14 4.25,15 4.431,16 3.546,17 3.693,18 5.217,19 3.624,20 4.494,21 4.709,22 3.483,23 3.78,24 5.418,25 3.653,26 4.542,27 4.808,28 3.361,29 3.69,30 5.412,31 3.545,32 4.379,33 4.616,34 3.41,35 3.655,36 5.277,37 3.536,38 4.456,39 4.699,40 3.37,41 3.648,42 5.443,43 3.521,44 4.337,45 4.603,46 3.081,47 3.498,48 5.223,49 3.332,50 4.11,51 4.401,52 2.801,53 3.194,54 5.022,55 3.029,56 0.031,57 0.534,58 8.125,59 3.503,60 5.542,61 4.799,62 0.107,63 0.884,64 14.801,65 5.707,66 10.73,67 8.007,68 0.128,69 1.04,70 19.653,71 7.903,72 22.82,73 10.978,74 0.263,75 1.037,76 21.96,77 8.069,78 34.188,79 11.415,80 0.097,81 0.923,82 17.692,83 7.105,84 18.021,85 10.051,86 0.264,87 0.973,88 19.797,89 7.295,90 34.973,91 10.169,92 0.14,93 0.845,94 17.58,95 6.787,96 26.07,97 9.623,98 0.136,99 0.65,100 14.405,101 5.283,102 24.556,103 7.538,104 2,105 29,106 0.25,107 0.602,108 0.771,109 0.854,110 0.867,111 0.867,112 3.057,113 0.946,114 -3.18,115 -3.18,116 -3.05,121 44.7,123 1,127 3,137 1,138 1,144 6,145 2,153 2,158 1,176 9,180 5,185 2,187 9,192 4,197 1,200 5,205 1,206 4,211 1,214 3,219 3,227 6,232 1,235 2,237 1,239 7,244 2,251 7,256 2,261 1,264 5,269 1,274 2,277 3,281 470,282 13.792,283 13.792,284 13.792,285 13.792,286 13.792,287 12.121,288 12.898,289 8.464,290 13.926,291 10.911,292 10.911,293 10.911,294 10.911,295 10.911,296 8.441,297 17.215,298 4.101,299 11.103,300 3.856,301 1.896,302 0.954,303 0.494,304 0.421,305 0.421,306 3.74,310 1,311 1,312 1,313 375,314 2.121,317 54.645,318 131.998,325 1.385,326 12.522,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 42,338 173,339 4.233,340 3.658,341 6.117,342 3.916,343 2.92,344 3.705,345 1.277,346 8.998,347 2.917,348 3.93,349 2.98,350 5.533,351 3.577,352 2.594,353 3.456,354 0.995,355 7.533,356 2.549,357 3.819,358 2.591,359 5.306,360 3.425,361 2.429,362 3.247,363 0.359,364 6.804,365 2.416,366 3.255,367 2.433,368 4.973,369 3.014,370 2.055,371 2.34,373 5.832,374 1.956,375 2.943,376 1.958,377 4.189,378 2.507,379 1.506,380 1.98,382 3.843,383 1.502,384 2.828,385 1.521,386 3.592,387 2.41,388 1.414,389 1.938,391 3.036,392 1.407,393 2.5,394 1.181,395 3.417,396 2.062,397 1.11,398 1.5,400 2.495,401 1.054,402 2.466,403 1.051,404 3.247,405 2,406 1,407 1.427,409 2.136,410 1,411 2.118,412 1,413 3,414 1.581,415 0.618,416 0.927,418 1.372,419 0.594,420 1.657,421 0.618,422 2.909,423 1.337,424 0.316,425 0.39,427 0.744,428 0.319,429 1.206,430 0.241,431 2.76,432 0.901,433 -0.073,434 -0.091,436 -0.2,437 -0.071,438 0.847,439 -0.033,440 2.253,441 0.509,442 -0.503,443 -0.613,445 -1.237,446 -0.506,447 0.5,448 -0.516,449 2.045,450 0.031,451 -0.938,452 -0.992,454 -2.347,455 -0.895,456 0.387,457 -0.745,458 1.555,460 -1,461 -1.301,463 -2.369,464 -0.991,465 0.196,466 -1,467 1.468,468 -0.004,469 -1,470 -1.5,472 -2.674,473 -1,474 9.633,475 0.482,476 0.362,477 0.018,478 25.5,479 1.275,480 13,481 0.65,482 12.5,483 0.625,484 13.702,485 0.685,486 20.967,487 0.552,488 16.18,489 0.809,490 5.282,491 0.264,492 4.528,493 0.226,494 0.035,496 0.249,501 0.732,502 1.242,503 0.836,504 1.029,505 0.53,506 0.951,507 1.02,508 1.058,509 1.026,510 0.985,511 0.635,512 0.986,513 1.009,514 1.229,515 1.142,516 1.241,517 1.052,518 1.214,519 1.174,520 0.872,521 0.982,522 0.877,523 1.348,524 0.911,525 0.711,526 1.1,527 0.891,528 1.066,529 0.668,530 1.007,531 1.251,532 0.906,533 1.077,534 0.973,535 1.432,536 1.007,537 0.965,538 0.969,539 1.046,540 1.039,541 0.986,542 1.05,543 1.113,544 0.763,545 0.911,546 0.825,547 1.147,548 0.844,549 3.5,550 0.015,551 1.333,552 0.972,553 0.759,554 0.354,555 0.336,556 0.189,557 0.088,558 0.029,559 4055,560 9531,561 2.138,562 47.4,564 13,565 2,567 1,568 2,572 1.617,573 2.069,574 3.149,575 -0.37,577 1,579 1,582 52.876,583 1.391,584 3.352,585 4.294,586 4.754,587 4.827,588 4.827,589 2.546,590 3.446,591 4.294,592 3.259,593 619.185,594 7.332,595 6415.64,596 1,597 1,599 1,600 199.421,601 1.076,602 4.283,603 0.159,604 0.003,605 0.046,606 0.039,607 0.035,608 0.015,609 0.015,610 0.012,611 0.007,612 0.003,613 0.333,614 1,615 1,616 0.432,617 89.045,618 -0.01,619 -0.105,620 0.052,621 -0.012,622 -0.004,623 0.019,624 -0.132,625 0.057,626 -0.095,627 -0.014,628 -0.037,629 -0.039,630 -0.068,631 -0.246,632 -0.193,633 -0.254,634 -0.069,635 -0.24,637 0.064,638 0.023,639 0.086,640 -0.086,641 0.058,642 0.06,643 -0.132,644 0.061,645 -0.076,646 0.069,647 -0.017,648 0.034,649 0.067,650 -0.076,651 -0.016,652 -0.05,653 -0.054,654 -0.057,655 -0.042,656 -0.068,657 -0.063,658 -0.016,659 -0.065,660 -0.045,661 0.14,662 0.101,663 0.137,664 0.034,665 0.137,666 1.393,667 5.013,668 0.85,669 15.3,670 0.989,671 1.119,672 1.955,673 3.821,674 0.673,675 3.135,676 3.401,677 3.611,678 3.829,679 3.97,680 3.932,681 4.025,682 4.111,683 4.078,684 4.043,685 5.287,686 0.631,687 266.37,688 3.135,689 4.635,690 5.451,691 6.293,692 7.125,693 7.972,694 8.81,695 9.659,696 10.501,697 11.351,698 5.3,701 1,706 1,715 8,717 1,720 2,722 11,741 38,743 13,744 1,745 22,747 40,748 17,749 10,750 1,751 5,752 3,756 3,757 3,767 1,770 1,772 13,773 4,777 2,782 1,784 1,786 2,789 1,790 1,793 18,794 2,795 1,796 3,802 2,808 1,809 1,824 1,828 1,829 2,841 1,849 1,850 1,855 1,859 3,868 20,876 4,881 1,893 2.6,896 1,901 9.667,902 6.617,903 4.444,904 2.251,907 2.23,908 1.344,909 1.004,910 3.91,911 8.719,912 3.418,913 3.927,914 4.408,915 4.865,916 5.159,917 5.226,918 5.503,919 5.759,920 5.858,921 6.101,922 0.833,923 25,924 7.404,926 3.095,927 0.026,929 7.608,931 14.446,933 11.87,936 2.108,937 42.167,938 0.001,941 200.109,942 107.97,943 19.91,945 25.145,948 107.97,949 225.254,950 19.91,952 8.852,953 84.429,954 30.278,955 29.467,956 23.542,957 176.567,959 200.109,960 127.88,961 25.145,964 200.109,965 25.145,968 28.761,969 89.643,970 9.476,972 200.109,973 45.055,974 107.97,977 200.109,978 23.542,979 87.553,980 16.786,981 25.145,982 200.109,983 45.055,984 107.97,986 0.567,987 0.319,988 0.171,989 0.089,990 14,991 5,992 0.075,993 3,995 1,996 3.39,997 144.747,999 17,1000 82.439,1005 13.042,1006 5.995,1007 3.339,1009 28.269,1010 16.175,1012 3.016,1015 2.359,1017 16.786,1018 353.134,1019 29.5,1024 12.013,1026 1.996,1028 1.183,1031 37.6,1032 42.528,1034 0.265,1035 0.639,1036 0.818,1037 0.906,1038 0.92,1039 0.92,1040 4.613,1041 1,1042 5.389,1043 2.495,1044 4.078,1045 4.61,1046 1.842,1047 6.103,1048 4.048,1049 5.772,1050 0.618,1051 6.878,1052 2.136,1053 3.434,1054 4.06,1055 0.325,1056 6.742,1057 3.42,1058 7.032,1059 0.316,1060 8.463,1061 1.372,1062 5.572,1063 6.645,1064 2.052,1065 9.816,1066 5.521,1067 8.324,1068 -0.073,1069 10.104,1070 0.744,1071 5.771,1072 6.95,1073 0.504,1074 11.282,1075 5.744,1076 9.647,1077 -0.503,1078 11.782,1079 -0.2,1080 7.317,1081 8.92,1082 2.389,1083 13.819,1084 7.256,1085 10.991,1086 -0.938,1087 13.484,1088 -1.237,1089 7.923,1090 9.638,1091 0.585,1092 15.646,1093 7.885,1094 12.35,1095 -1,1096 15.204,1097 -2.347,1098 9.202,1099 11.317,1100 2.79,1101 17.976,1102 9.14,1103 2.92,1104 -1,1105 16.937,1106 -2.369,1107 10.019,1108 12.257,1109 0.622,1110 19.981,1111 9.975,1112 2.594,1113 8.998,1114 18.68,1115 -2.674,1116 11.173,1117 13.781,1118 3.226,1119 22.225,1120 11.114,1121 2.429,1122 7.533,1123 20.431,1124 3.705,1125 12.101,1126 14.849,1127 0.639,1128 24.32,1129 12.055,1130 2.055,1131 6.804,1132 22.189,1133 3.456,1134 13.198,1135 16.284,1136 3.683,1137 26.529,1138 13.142,1139 1.506,1140 5.832,1141 23.953,1142 3.247,1143 14.185,1144 17.43,1145 0.646,1146 28.67,1147 14.138,1148 1.414,1149 3.843,1150 25.721,1151 2.34,1152 15.256,1153 18.812,1154 4.153,1155 30.866,1156 15.205,1157 1.11,1158 3.036,1159 27.494,1160 1.98,1161 16.276,1162 20.009,1163 0.648,1164 33.032,1165 16.23,1166 3886,1167 6025,1168 15.197,1169 25.557,1170 32.68,1171 32.854,1172 32.084,1173 31.933,1174 31.924,1175 41.823,1176 5.262,1177 85.586,1178 31.43,1179 5.233,1180 5.658,1181 5.918,1182 4.953,1183 4.92,1184 6.705,1185 2.555,1186 15.246,1187 4.917,1188 5.283,1189 1.485,1190 1.493,1191 1.458,1192 1.452,1193 1.451,1194 1.901,1195 0.239,1196 3.89,1197 1.429,1198 4.005,1199 4.048,1200 3.938,1201 3.9,1202 7.427,1203 3.903,1204 3.904,1205 3.945,1206 3.831,1207 3.825,1208 4.877,1209 3.822,1210 3.759,1211 3.806,1212 3.675,1213 3.608,1214 4.753,1215 3.618,1216 3.262,1217 3.318,1218 3.157,1219 3.092,1220 4.293,1221 3.095,1222 3.173,1223 3.248,1224 3.004,1225 3.019,1226 3.901,1227 3.005,1228 2.854,1229 2.925,1230 2.708,1231 2.735,1232 3.674,1233 2.715,1234 2.848,1235 2.912,1236 2.687,1237 2.648,1238 3.648,1239 2.655,1240 2.622,1241 2.704,1242 2.44,1243 2.398,1244 3.364,1245 2.392,1246 0.192,1247 0.166,1248 0.278,1249 0.178,1250 0.133,1251 4.233,1252 0.168,1253 3.658,1254 0.058,1255 6.117,1256 0.409,1257 3.916,1258 0.133,1259 2.92,1260 3.705,1261 1.277,1262 8.998,1263 2.917,1264 1.93,1265 1.897,1266 2.063,1267 2.05,1268 1.296,1269 2.056,1270 1.821,1271 1.792,1272 1.958,1273 1.932,1274 1.104,1275 1.944,1276 1.519,1277 1.476,1278 1.692,1279 1.718,1280 0.876,1281 1.7,1282 1.432,1283 1.351,1284 1.627,1285 1.636,1286 0.7,1287 1.656,1288 1.202,1289 1.141,1290 1.475,1291 1.424,1292 0.594,1293 1.439,1294 1.088,1295 1.021,1296 1.362,1297 1.268,1298 0.543,1299 1.305,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.231,1305 1.107,1306 0.805,1307 0.744,1308 1.091,1309 1.058,1310 0.218,1311 1.07,1312 3.807,1314 5.081,1315 2.398,1316 6.541,1317 4.443,1318 8.084,1319 6.26,1320 9.669,1328 3.096,1333 2.329,1340 23.972,1341 52.876,1342 127.382,1343 163.157,1344 180.666,1345 183.421,1346 183.421,1347 26.566,1348 6.489,1349 36.1,1350 36.1,1351 17,1352 11.91,1353 3.807,1354 3.087,1355 29.961,1356 64,1357 56,1358 0.233,1359 148.753,1360 256.09,1361 354.718,1362 5089,1364 13.786,1365 0.689,1366 0.569,1367 13.786,1368 11.38,1369 9.81,1370 0.446,1371 0.315,1372 6.875,1373 9.568,1374 6.709,1375 5.568,1376 9.81,1377 6.94,1378 8.542,1379 0.295,1380 0.179,1381 8.542,1382 5.183,1383 6.973,1384 0.194,1385 0.101,1386 6.973,1387 3.619,1388 5.624,1389 0.125,1390 0.057,1391 5.624,1392 2.559,1393 4.277,1394 0.082,1395 0.033,1396 4.277,1397 1.699,1398 0.363,1399 60.548,1400 0.257,1401 20.081,1402 0.647,1403 102,1404 255.714,1405 107.573,1406 253.678,1407 344.97,1408 238,1409 116,1410 246.439,1411 122.323,1412 254.829,1413 365.29,1414 239,1415 5.222}
{0 CHEMBL341437,1 1.75,2 9.875,3 2.505,4 6.277,5 91.917,6 7.92,7 0.423,8 3.897,9 4.008,10 3.566,11 3.387,12 4.98,13 3.362,14 4.452,15 4.629,16 3.913,17 3.729,18 5.505,19 3.689,20 4.572,21 4.765,22 3.942,23 3.826,24 5.641,25 3.76,26 4.578,27 4.776,28 3.924,29 3.75,30 5.746,31 3.716,32 4.58,33 4.81,34 3.873,35 3.771,36 5.674,37 3.696,38 4.468,39 4.649,40 3.844,41 3.791,42 5.578,43 3.676,44 4.406,45 4.558,46 3.705,47 3.725,48 5.52,49 3.625,50 4.512,51 4.74,52 3.445,53 3.716,54 5.393,55 3.574,56 0.075,57 0.676,58 9.233,59 4.163,60 5.607,61 5.078,62 0.487,63 1.052,64 22.105,65 6.493,66 25.697,67 8.238,68 0.457,69 1.154,70 25.544,71 7.863,72 31.78,73 9.939,74 0.477,75 1.154,76 23.194,77 6.274,78 45.5,79 8.601,80 0.594,81 1.153,82 24.301,83 6.542,84 50.173,85 8.878,86 0.448,87 1.09,88 25.808,89 7.794,90 34.992,91 8.999,92 0.396,93 0.985,94 23.448,95 7.499,96 34.016,97 8.555,98 0.269,99 0.994,100 20.724,101 7.823,102 27.649,103 10.76,104 15,105 35,106 0.306,107 0.621,108 0.782,109 0.798,110 0.798,111 0.798,112 3.229,113 1.018,114 -3.95,115 -3.9,116 -3.7,121 36.4,122 1,126 1,127 5,144 4,145 1,146 1,151 1,161 1,164 1,168 1,176 4,179 5,180 6,187 5,191 3,192 8,200 2,205 2,206 11,214 1,218 2,219 5,227 2,231 3,232 6,239 3,243 2,244 5,251 2,256 2,264 2,268 2,269 3,281 830,282 16.585,283 16.585,284 16.585,285 16.585,286 16.585,287 15.263,288 17.187,289 9.983,290 17.519,291 12.736,292 12.736,293 12.736,294 12.736,295 12.736,296 10.543,297 17.517,298 4.582,299 13.977,300 3.709,301 1.909,302 0.989,303 0.898,304 0.898,305 0.898,306 3.91,310 1,311 1,312 1,313 501,314 3,317 69.419,318 165.435,325 1.479,326 24.422,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 53,338 237,339 4.504,340 4.443,341 6.667,342 4.093,343 3.164,344 4.185,345 2.95,346 10.714,347 2.945,348 4.108,349 3.738,350 6.129,351 3.754,352 2.79,353 3.65,354 1.678,355 8.964,356 2.687,357 3.787,358 2.971,359 5.685,360 3.427,361 2.508,362 3.102,363 0.86,364 7.541,365 2.301,366 3.528,367 2.815,368 5.286,369 3.187,370 2.27,371 2.752,372 0.86,373 6.705,374 2.07,375 2.962,376 2.576,377 4.646,378 2.682,379 1.789,380 1.995,381 0.527,382 4.662,383 1.58,384 2.789,385 2.535,386 4.292,387 2.338,388 1.452,389 1.889,391 3.879,392 1.265,393 2.5,394 1.944,395 3.781,396 2.136,397 1.252,398 1.5,400 3.02,401 1.096,402 2.435,403 1.736,404 3.414,405 2,406 1,407 1.416,409 2.275,410 1,411 2.069,412 1.336,413 3.292,414 1.952,415 1,416 1.017,418 2.136,419 0.946,420 2.044,421 1.256,422 3.247,423 1.801,424 0.91,425 1,427 1.606,428 0.793,429 2,430 1,431 3.114,432 1.564,433 0.574,434 0.784,436 1.443,437 0.556,438 1.642,439 0.967,440 2.794,441 1.34,442 0.464,443 0.534,445 0.726,446 0.403,447 0.829,448 0.288,449 2.354,450 0.503,451 -0.389,452 -0.434,454 -0.666,455 -0.338,456 0.731,457 -0.133,458 2.274,459 0.391,460 -0.537,461 -0.659,463 -1.046,464 -0.494,465 0.5,466 -0.253,467 2,468 0.227,469 -0.75,470 -0.812,472 -1.608,473 -0.724,474 11.433,475 0.476,476 0.448,477 0.019,478 28.75,479 1.198,480 12.5,481 0.521,482 16.25,483 0.677,484 20.124,485 0.839,486 26.967,487 0.613,488 20.405,489 0.85,490 5.605,491 0.234,492 6.119,493 0.255,494 0.117,496 0.289,501 0.781,502 1.486,503 0.725,504 1.151,505 0.601,506 1.045,507 1.107,508 1.043,509 0.984,510 0.969,511 0.735,512 0.848,513 1.009,514 1.155,515 1.027,516 1.057,517 0.863,518 0.918,519 1.232,520 1.26,521 0.88,522 0.954,523 1.731,524 0.966,525 1.122,526 0.848,527 0.924,528 0.641,529 1.484,530 0.753,531 1.008,532 1.092,533 1.618,534 1.344,535 1.182,536 1.118,537 1.159,538 1.238,539 1.664,540 1.567,541 1.634,542 1.346,543 0.666,544 1.083,545 0.872,546 1.14,547 0.842,548 1.302,549 4,550 0.066,551 2.667,552 1.507,553 1.353,554 0.99,555 0.401,556 0.296,557 0.191,558 0.134,559 6003,560 17250,561 2.064,562 45.5,564 17,569 3,572 1.673,573 1.946,574 3.272,575 -0.658,576 1,577 1,579 1,582 77.022,583 1.75,584 3.55,585 4.471,586 4.561,587 4.561,588 4.561,589 2.757,590 4.085,591 4.551,592 3.396,593 937.211,594 7.878,595 10927,597 1,599 1,600 240.215,601 1.347,602 4.522,603 0.154,604 0.007,605 0.076,606 0.042,607 0.04,608 0.031,609 0.013,610 0.011,611 0.009,612 0.009,613 0.392,614 0.33,615 1,616 1.056,617 113.431,618 0.01,619 -0.271,620 0.09,621 -0.115,622 -0.013,623 -0.063,624 0.02,625 0.063,626 0.055,627 0.062,628 0.023,629 0.094,631 -0.092,632 0.033,633 0.002,634 0.081,635 0.057,636 -0.127,637 -0.182,638 0.006,639 -0.083,640 -0.122,641 -0.072,642 -0.107,643 0.235,644 0.042,645 0.257,646 -0.131,647 0.15,648 -0.072,649 0.107,650 -0.266,651 -0.073,652 -0.037,653 -0.126,654 -0.132,655 -0.083,656 -0.434,657 -0.329,658 -0.179,659 -0.347,660 -0.023,661 -0.134,662 -0.14,663 -0.249,664 -0.107,665 -0.288,666 1.818,667 5.738,668 0.708,669 21.167,670 1.012,671 1.133,672 2.717,673 7.381,674 0.662,675 3.296,676 3.584,677 3.871,678 4.111,679 4.317,680 4.407,681 4.489,682 4.522,683 4.635,684 4.615,685 5.749,686 0.628,687 348.47,688 3.296,689 4.812,690 5.659,691 6.526,692 7.397,693 8.276,694 9.156,695 10.04,696 10.925,697 11.813,698 9.1,705 1,706 1,708 2,715 4,716 2,720 4,721 1,722 11,739 1,741 44,743 12,744 1,745 26,747 46,748 16,749 8,750 2,751 4,752 1,756 3,757 3,761 1,763 1,772 9,773 7,777 1,782 1,786 1,789 1,790 1,793 20,794 6,796 8,797 1,802 4,808 1,809 3,828 1,829 2,858 1,859 3,860 1,862 1,864 2,868 24,876 5,878 2,879 1,881 1,890 1,893 6.8,896 1,897 1,898 1,901 12.333,902 8.55,903 5.528,904 2.7,907 2.038,908 1.295,909 0.949,910 5.765,911 8.936,912 3.512,913 4.039,914 4.616,915 5.156,916 5.599,917 5.932,918 6.253,919 6.549,920 6.927,921 7.069,922 0.857,923 36,924 8.882,926 3.669,927 0.026,929 7.736,931 16.953,933 13.382,936 2.236,937 53.667,940 1,941 235.422,942 119.854,943 38.349,945 47.145,947 32.22,948 87.635,949 282.567,950 38.349,951 19.708,952 17.42,953 37.905,954 69.593,955 24.226,956 4.276,957 267.642,959 235.422,960 125.984,961 47.145,962 32.22,964 202.437,965 71.458,966 11,968 28.715,969 61.493,970 33.449,971 32.22,972 235.422,973 85.494,974 119.854,977 235.422,978 62.241,979 62.514,981 80.593,982 235.422,983 85.494,984 119.854,986 0.563,987 0.34,988 0.186,989 0.104,990 16,991 7,992 0.087,993 4,995 1,996 3.596,997 192.08,999 17,1000 102.039,1001 1,1005 17.271,1006 8.011,1007 3.934,1009 83.718,1010 7.481,1011 8.978,1015 2.767,1016 1.402,1018 440.771,1019 32.5,1024 12.738,1028 -0.151,1031 44.534,1032 49.863,1034 0.321,1035 0.65,1036 0.819,1037 0.836,1038 0.836,1039 0.836,1040 4.734,1041 1,1042 5.624,1043 3.02,1044 4.263,1045 4.723,1046 3.277,1047 6.425,1048 4.107,1049 5.903,1050 1,1051 7.175,1052 2.275,1053 3.761,1054 4.46,1055 1.305,1056 7.318,1057 3.559,1058 7.194,1059 0.91,1060 8.831,1061 2.136,1062 5.838,1063 6.85,1064 5.107,1065 10.426,1066 5.552,1067 8.527,1068 0.574,1069 10.55,1070 1.606,1071 6.217,1072 7.478,1073 2.419,1074 12.166,1075 5.883,1076 9.897,1077 0.464,1078 12.308,1079 1.443,1080 7.716,1081 9.304,1082 7.206,1083 14.78,1084 7.313,1085 11.293,1086 -0.389,1087 14.093,1088 0.726,1089 8.491,1090 10.327,1091 3.517,1092 16.859,1093 8.03,1094 12.707,1095 -0.537,1096 15.898,1097 -0.666,1098 9.761,1099 11.926,1100 9.354,1101 19.308,1102 9.237,1103 3.164,1104 -0.75,1105 17.717,1106 -1.046,1107 10.724,1108 13.141,1109 4.595,1110 21.537,1111 10.134,1112 2.79,1113 10.714,1114 19.547,1115 -1.608,1116 11.902,1117 14.64,1118 11.513,1119 23.927,1120 11.25,1121 2.508,1122 8.964,1123 21.386,1124 4.185,1125 12.955,1126 15.953,1127 5.656,1128 26.226,1129 12.231,1130 2.27,1131 7.541,1132 23.232,1133 3.65,1134 14.1,1135 17.407,1136 13.675,1137 28.596,1138 13.312,1139 1.789,1140 6.705,1141 25.084,1142 3.102,1143 15.195,1144 18.771,1145 6.706,1146 30.929,1147 14.334,1148 1.452,1149 4.662,1150 26.941,1151 2.752,1152 16.331,1153 20.206,1154 15.839,1155 33.293,1156 15.402,1157 1.252,1158 3.879,1159 28.802,1160 1.995,1161 17.448,1162 21.598,1163 7.75,1164 35.642,1165 16.445,1166 5925,1167 10180,1168 17.394,1169 29.125,1170 38.736,1171 42.318,1172 40.076,1173 38.397,1174 38.345,1175 47.648,1176 13.75,1177 107.341,1178 35.281,1179 5.504,1180 6.443,1181 6.469,1182 5.197,1183 5.164,1184 7.185,1185 5.9,1186 17.9,1187 4.945,1188 10.793,1189 1.49,1190 1.628,1191 1.541,1192 1.477,1193 1.475,1194 1.833,1195 0.529,1196 4.129,1197 1.357,1198 4.014,1199 4.058,1200 4.09,1201 3.887,1202 7.429,1203 3.895,1204 3.825,1205 3.864,1206 3.812,1207 3.646,1208 5.027,1209 3.656,1210 3.684,1211 3.735,1212 3.676,1213 3.504,1214 4.804,1215 3.495,1216 3.431,1217 3.509,1218 3.446,1219 3.271,1220 4.612,1221 3.245,1222 3.248,1223 3.307,1224 3.122,1225 2.972,1226 4.315,1227 2.993,1228 3.111,1229 3.206,1230 2.959,1231 2.941,1232 4.034,1233 2.91,1234 3.072,1235 3.104,1236 2.866,1237 2.774,1238 3.765,1239 2.811,1240 2.854,1241 2.925,1242 2.72,1243 2.735,1244 3.674,1245 2.715,1246 0.173,1247 0.171,1248 0.256,1249 0.157,1250 0.122,1251 4.504,1252 0.161,1253 4.443,1254 0.113,1255 6.667,1256 0.412,1257 4.093,1258 0.113,1259 3.164,1260 4.185,1261 2.95,1262 10.714,1263 2.945,1264 1.893,1265 1.872,1266 1.991,1267 1.998,1268 1.194,1269 1.991,1270 1.721,1271 1.666,1272 1.919,1273 1.975,1274 1.081,1275 1.962,1276 1.528,1277 1.478,1278 1.775,1279 1.71,1280 1,1281 1.75,1282 1.3,1283 1.242,1284 1.574,1285 1.617,1286 0.825,1287 1.576,1288 1.249,1289 1.196,1290 1.513,1291 1.534,1292 0.578,1293 1.537,1294 1.153,1295 1.064,1296 1.358,1297 1.376,1298 0.44,1299 1.429,1300 1.07,1301 0.991,1302 1.187,1303 1.308,1304 0.263,1305 1.291,1306 0.886,1307 0.821,1308 1.181,1309 1.099,1310 0.218,1311 1.107,1312 3.97,1314 5.263,1315 2.398,1316 6.76,1317 4.727,1318 8.345,1319 6.843,1320 9.975,1322 3.648,1328 3.084,1330 10.471,1331 1.503,1333 1.746,1340 27.632,1341 77.022,1342 156.215,1343 196.705,1344 200.705,1345 200.705,1346 200.705,1347 38.496,1348 6.899,1349 69.48,1350 94.78,1351 17,1352 12.345,1353 3.7,1354 2.907,1355 39.094,1356 81,1357 95,1358 0.238,1359 174.8,1360 299.52,1361 418.272,1362 7885,1364 16.941,1365 0.706,1366 0.608,1367 17.295,1368 14.583,1369 11.724,1370 0.451,1371 0.339,1372 7.752,1373 10.541,1374 7.471,1375 6.173,1376 12.178,1377 8.825,1378 9.89,1379 0.283,1380 0.183,1381 10.547,1382 6.404,1383 8.65,1384 0.184,1385 0.095,1386 9.214,1387 4.473,1388 7.011,1389 0.117,1390 0.051,1391 7.625,1392 3.046,1393 5.482,1394 0.074,1395 0.027,1396 6.053,1397 2.031,1398 0.367,1399 79.506,1400 0.24,1401 23.307,1402 0.676,1403 122,1404 414.647,1405 162.913,1406 404.491,1407 549.74,1408 382,1409 143,1410 386.38,1411 178.973,1412 396.304,1413 586.07,1414 371,1415 4.301}
{0 CHEMBL341658,1 1.378,2 8,3 4.042,4 16.335,5 83.85,6 7.06,7 0.458,8 3.787,9 3.913,10 3.322,11 3.406,12 4.811,13 3.36,14 4.369,15 4.541,16 3.742,17 3.868,18 5.336,19 3.798,20 4.706,21 4.92,22 3.863,23 4.06,24 5.65,25 3.963,26 4.77,27 5.013,28 3.781,29 4.021,30 5.72,31 3.897,32 4.732,33 4.998,34 3.549,35 3.918,36 5.59,37 3.768,38 4.637,39 4.93,40 3.364,41 3.751,42 5.496,43 3.569,44 4.389,45 4.68,46 3.027,47 3.441,48 5.307,49 3.27,50 4.032,51 4.335,52 2.674,53 3.007,54 5.03,55 2.848,56 0.033,57 0.638,58 8.636,59 3.987,60 6.7,61 5.3,62 0.052,63 1.092,64 16.304,65 7.381,66 13.448,67 9.967,68 0.154,69 1.479,70 24.248,71 9.866,72 27.859,73 13.506,74 0.268,75 1.518,76 26.579,77 10.114,78 40.615,79 14.397,80 0.227,81 1.386,82 26.052,83 9.377,84 34.47,85 13.567,86 0.211,87 1.226,88 24.304,89 9.619,90 38.726,91 13.729,92 0.217,93 1.02,94 19.559,95 7.09,96 40.163,97 9.569,98 0.162,99 0.736,100 13.927,101 4.795,102 27.976,103 6.397,104 11,105 36,106 0.245,107 0.636,108 0.808,109 0.88,110 0.88,111 0.88,112 3.106,113 0.966,114 -4.99,115 -4.89,116 -4.59,121 45,122 1,123 4,124 2,137 1,138 1,144 3,145 2,146 2,148 2,165 1,166 1,167 1,176 12,180 4,185 2,187 18,189 2,192 3,197 2,200 14,203 2,206 4,208 1,209 1,211 5,214 14,216 5,219 1,224 2,227 11,229 2,232 1,237 2,239 10,241 2,244 1,249 1,251 6,253 1,264 4,277 2,281 445,282 14.282,283 14.282,284 14.282,285 14.282,286 14.282,287 12.709,288 14.72,289 8.094,290 14.409,291 11.81,292 11.81,293 11.81,294 11.81,295 11.81,296 9.314,297 13.278,298 3.816,299 12.054,300 3.944,301 1.74,302 0.775,303 0.369,304 0.369,305 0.369,306 3.805,310 1,311 1,312 1,313 373,314 2.345,318 132.296,320 44.058,322 107.771,324 64.707,325 1.238,326 20.468,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 44.5,338 168,339 4.673,340 3.495,341 6.94,342 4.289,343 3.303,344 4.585,345 0.68,346 11.688,347 3.256,348 4.151,349 3.069,350 6.235,351 3.836,352 2.846,353 3.622,355 9.304,356 2.817,357 3.839,358 2.865,359 5.596,360 3.447,361 2.464,362 3.164,364 7.576,365 2.422,366 3.553,367 2.56,368 5.391,369 3.208,370 2.23,371 2.92,373 6.845,374 2.181,375 3.399,376 2.452,377 5.096,378 3.04,379 2.085,380 2.717,382 6.046,383 1.974,384 3.04,385 2.1,386 4.894,387 2.863,388 1.885,389 2.073,391 5.55,392 1.839,393 2.886,394 1.816,395 4.774,396 2.633,397 1.657,398 1.929,400 4.952,401 1.609,402 2.491,403 1.207,404 3.954,405 2.079,406 1.096,407 1.485,409 2.875,410 1.074,411 1.584,412 0.661,413 3.307,414 1.436,415 0.436,416 0.461,418 0.641,419 0.436,420 1.399,421 0.529,422 3,423 1.166,424 0.182,425 0.21,427 0.534,428 0.178,429 1.338,430 0.269,431 2.818,432 0.95,438 1.016,439 0.116,440 2.643,441 0.683,442 -0.248,443 -0.302,445 -0.617,446 -0.223,447 0.682,448 -0.453,449 2.444,450 0.383,451 -0.585,452 -0.653,454 -1.571,455 -0.561,456 0.354,457 -0.56,458 2.34,459 0.184,460 -0.799,461 -0.914,463 -2.162,464 -0.785,465 0.325,466 -0.693,467 2,468 0.054,469 -0.938,470 -1.089,472 -2.788,473 -0.928,474 10.086,475 0.48,476 0.606,477 0.029,478 24.5,479 1.167,480 11.5,481 0.548,482 13,483 0.619,484 19.489,485 0.928,486 22.314,487 0.558,488 15.096,489 0.719,490 4.192,491 0.2,492 5.96,493 0.284,494 0.118,496 0.446,499 1,501 0.619,502 0.915,503 0.81,504 0.928,505 0.625,506 0.899,507 0.53,508 1.002,509 0.782,510 1.02,511 0.463,512 0.957,513 0.817,514 1.039,515 0.953,516 1.048,517 0.76,518 1.025,519 0.625,520 0.95,521 0.974,522 1.069,523 0.601,524 1.069,525 0.768,526 0.843,527 1.093,528 0.997,529 0.685,530 1.058,531 0.449,532 0.847,533 0.81,534 0.987,535 0.475,536 0.964,537 1.411,538 1.036,539 1.134,540 0.978,541 1.483,542 1.009,543 1.638,544 1.122,545 1.101,546 0.929,547 1.668,548 0.933,549 5,550 0.029,551 2,552 2.188,553 1.662,554 0.91,555 0.402,556 0.267,557 0.09,558 0.061,559 4022,560 9010,561 2.155,562 47.5,563 11,564 4,567 2,568 2,572 1.637,573 2,574 2.97,575 0.237,577 1,582 55.108,583 1.378,584 3.582,585 4.546,586 4.953,587 4.953,588 4.953,589 2.489,590 4.202,591 4.363,592 3.04,593 638.448,594 7.501,595 6315.56,597 1,598 1,599 1,600 212.877,601 1.449,602 4.318,603 0.208,604 0.014,605 0.056,606 0.056,607 0.049,608 0.035,609 0.019,610 0.019,611 0.01,612 0.015,613 0.482,614 0.83,615 1,616 0.819,617 91.661,618 -0.042,619 0.084,620 0.04,621 0.106,622 -0.046,623 0.092,624 0.037,625 -0.069,626 0.094,627 0.008,628 0.083,629 0.047,630 -0.034,631 -0.086,632 -0.026,633 -0.059,634 -0.016,635 -0.046,636 0.095,637 -0.068,638 -0.035,639 -0.116,640 0.069,641 -0.103,642 -0.091,643 -0.01,644 -0.147,645 -0.071,646 -0.063,647 -0.104,648 0.181,649 -0.056,650 0.149,651 -0.01,652 0.167,653 0.045,654 -0.124,655 0.005,656 -0.098,657 -0.016,658 -0.161,659 -0.044,660 -0.109,661 -0.015,662 -0.022,663 0.017,664 -0.108,665 0.015,666 1.918,667 5.438,668 0.81,669 12.98,670 0.992,671 1.127,672 3.761,673 14.143,674 0.67,675 3.219,676 3.611,677 3.951,678 4.317,679 4.644,680 4.844,681 5.011,682 5.209,683 5.283,684 5.338,685 4.565,686 0.629,687 282.39,688 3.219,689 4.796,690 5.687,691 6.611,692 7.519,693 8.45,694 9.365,695 10.299,696 11.216,697 12.152,698 5,702 1,708 1,714 2,715 3,716 1,720 4,722 11,733 1,740 1,741 40,743 12,744 1,745 24,747 43,748 18,749 9,750 3,751 3,756 4,757 10,763 1,767 3,768 2,770 4,772 11,773 7,774 2,777 1,784 1,786 1,790 1,791 1,793 19,794 3,795 2,796 3,802 2,808 0.25,822 1,829 4,831 1,833 2,835 1,849 1,850 1,859 1,864 1,866 1,868 21,869 1,876 4,880 2,892 1,901 10.5,902 7.426,903 4.472,904 2.733,907 2.751,908 1.364,909 1.038,910 2.867,911 10.313,912 3.45,913 4.119,914 4.754,915 5.396,916 6.026,917 6.457,918 6.877,919 7.345,920 7.71,921 7.886,922 0.833,923 39,924 7.833,926 3.51,927 0.026,929 7.659,931 15.387,933 13.781,936 2.159,937 45.333,938 0.001,941 200.109,942 82.591,943 49.683,946 14.96,948 82.591,949 200.109,950 64.643,951 8.825,952 10.138,953 70.802,954 16.786,955 25.723,956 14.96,957 200.109,959 200.109,960 132.274,961 14.96,964 215.069,968 23.864,969 82.148,970 26.262,972 215.069,973 49.683,974 82.591,977 200.109,978 35.861,979 46.73,981 64.643,982 200.109,983 64.643,984 82.591,986 0.596,987 0.359,988 0.206,989 0.121,990 21,991 9,992 0.023,993 1,994 4,995 1.412,996 3.238,997 180.343,998 0.471,999 16,1000 92.239,1005 12.972,1006 4.641,1007 1.993,1008 1.576,1009 64.643,1010 4.721,1011 4.722,1015 2.872,1017 32.897,1018 347.343,1019 30.5,1026 2.424,1028 1.542,1031 39.669,1032 45.073,1034 0.259,1035 0.673,1036 0.854,1037 0.931,1038 0.931,1039 0.931,1040 4.734,1041 1.096,1042 5.707,1043 4.952,1044 4.29,1045 4.804,1046 0.655,1047 6.589,1048 4.252,1049 5.969,1050 0.436,1051 7.306,1052 2.875,1053 4.007,1054 4.783,1056 7.573,1057 3.94,1058 7.31,1059 0.182,1060 8.999,1061 0.641,1062 5.953,1063 7.082,1064 0.356,1065 10.726,1066 5.886,1067 8.681,1069 10.746,1070 0.534,1071 6.431,1072 7.854,1074 12.519,1075 6.342,1076 10.083,1077 -0.248,1078 12.528,1080 7.892,1081 9.678,1082 0.18,1083 15.216,1084 7.802,1085 11.506,1086 -0.585,1087 14.337,1088 -0.617,1089 8.74,1090 10.837,1092 17.379,1093 8.631,1094 12.947,1095 -0.799,1096 16.165,1097 -1.571,1098 10.014,1099 12.474,1100 0.087,1101 19.914,1102 9.899,1103 3.303,1104 -0.938,1105 18.01,1106 -2.162,1107 11.04,1108 13.824,1110 22.243,1111 10.909,1112 2.846,1113 11.688,1114 19.869,1115 -2.788,1116 12.245,1117 15.386,1118 0.041,1119 24.721,1120 12.105,1121 2.464,1122 9.304,1123 21.74,1124 4.585,1125 13.356,1126 16.827,1128 27.121,1129 13.2,1130 2.23,1131 7.576,1132 23.621,1133 3.622,1134 14.539,1135 18.361,1136 0.019,1137 29.581,1138 14.371,1139 2.085,1140 6.845,1141 25.51,1142 3.164,1143 15.689,1144 19.844,1146 32.011,1147 15.506,1148 1.885,1149 6.046,1150 27.405,1151 2.92,1152 16.868,1153 21.368,1154 0.009,1155 34.467,1156 16.672,1157 1.657,1158 5.55,1159 29.307,1160 2.717,1161 18.037,1162 22.872,1164 36.911,1165 17.825,1166 3837,1167 5868,1168 16.126,1169 26.802,1170 36.748,1171 37.18,1172 38.372,1173 36.491,1174 36.368,1175 46.333,1176 1.36,1177 112.025,1178 35.571,1179 5.628,1180 5.495,1181 6.473,1182 5.331,1183 5.303,1184 7.585,1185 1.36,1186 19.265,1187 5.256,1188 9.56,1189 1.531,1190 1.549,1191 1.599,1192 1.52,1193 1.515,1194 1.931,1195 0.057,1196 4.668,1197 1.482,1198 4.137,1199 4.167,1200 4.098,1201 4.067,1202 8.201,1203 4.071,1204 3.883,1205 3.918,1206 3.804,1207 3.814,1208 5.135,1209 3.807,1210 3.538,1211 3.596,1212 3.439,1213 3.431,1214 4.739,1215 3.423,1216 3.319,1217 3.388,1218 3.186,1219 3.172,1220 4.466,1221 3.166,1222 3.214,1223 3.291,1224 3.061,1225 3.059,1226 4.208,1227 3.047,1228 2.989,1229 3.074,1230 2.847,1231 2.828,1232 3.93,1233 2.825,1234 2.909,1235 2.994,1236 2.723,1237 2.753,1238 3.652,1239 2.733,1240 2.745,1241 2.851,1242 2.561,1243 2.571,1244 3.528,1245 2.552,1246 0.195,1247 0.146,1248 0.289,1249 0.179,1250 0.138,1251 4.673,1252 0.191,1253 3.495,1254 0.028,1255 6.94,1256 0.487,1257 4.289,1258 0.136,1259 3.303,1260 4.585,1261 0.68,1262 11.688,1263 3.256,1264 2.095,1265 2.07,1266 2.189,1267 2.183,1268 1.539,1269 2.186,1270 1.886,1271 1.855,1272 2.011,1273 1.983,1274 1.178,1275 1.997,1276 1.547,1277 1.493,1278 1.807,1279 1.708,1280 1.034,1281 1.744,1282 1.297,1283 1.243,1284 1.52,1285 1.498,1286 0.849,1287 1.495,1288 1.226,1289 1.153,1290 1.473,1291 1.424,1292 0.6,1293 1.459,1294 0.967,1295 0.901,1296 1.279,1297 1.209,1298 0.502,1299 1.22,1300 0.935,1301 0.855,1302 1.215,1303 1.152,1304 0.25,1305 1.201,1306 0.753,1307 0.67,1308 1.104,1309 1.01,1310 0.195,1311 1.044,1312 3.892,1314 5.263,1316 6.849,1318 8.543,1320 10.293,1322 2.221,1324 13.438,1326 6.43,1328 4.327,1332 1.06,1340 25.167,1341 55.108,1342 143.262,1343 181.858,1344 198.122,1345 198.122,1346 198.122,1347 32.288,1348 7.563,1349 38.91,1350 38.91,1351 24,1352 12.654,1353 3.7,1354 2.907,1355 27.865,1356 59,1357 61,1358 0.251,1359 151.081,1360 260.95,1361 360.399,1362 17752,1363 2.5,1364 14.56,1365 0.693,1366 0.581,1367 13.69,1368 12.195,1369 10.152,1370 0.423,1371 0.322,1372 7.674,1373 9.94,1374 7.475,1375 6.148,1376 9.758,1377 7.724,1378 9.618,1379 0.267,1380 0.176,1381 8.984,1382 6.327,1383 8.432,1384 0.165,1385 0.098,1386 8.097,1387 4.992,1388 7.698,1389 0.104,1390 0.055,1391 7.434,1392 4.05,1393 6.543,1394 0.064,1395 0.031,1396 6.338,1397 3.153,1398 0.373,1399 62.476,1400 0.249,1401 20.058,1402 0.757,1403 120,1404 309.068,1405 126.912,1406 283.83,1407 393.89,1408 266,1409 147,1410 296.995,1411 153.407,1412 299.1,1413 444.34,1414 284,1415 8.549}
{0 CHEMBL34222,1 1.337,2 12.16,3 4.863,4 23.651,5 102.002,6 6.045,7 0.222,8 4.096,9 4.235,10 3.482,11 3.598,12 4.982,13 3.535,14 4.719,15 4.933,16 3.857,17 4.038,18 5.576,19 3.939,20 5.019,21 5.272,22 3.903,23 4.224,24 5.755,25 4.088,26 5.105,27 5.368,28 3.812,29 4.234,30 5.868,31 4.061,32 5.097,33 5.398,34 3.699,35 4.082,36 5.862,37 3.906,38 4.86,39 5.13,40 3.523,41 3.865,42 5.695,43 3.715,44 4.67,45 4.936,46 3.462,47 3.709,48 5.563,49 3.58,50 4.57,51 4.811,52 3.32,53 3.577,54 5.607,55 3.465,56 0.062,57 0.794,58 14.302,59 5.762,60 7.869,61 8.284,62 0.387,63 1.319,64 26.477,65 9.702,66 33.19,67 14.363,68 0.284,69 1.643,70 34.788,71 12.71,72 26.249,73 18.825,74 0.294,75 1.701,76 37.543,77 13.812,78 36.509,79 20.359,80 0.352,81 1.538,82 36.973,83 12.429,84 42.824,85 18.708,86 0.423,87 1.202,88 29.95,89 9.662,90 39.382,91 14.231,92 0.252,93 1.034,94 24.706,95 7.989,96 29.47,97 11.937,98 0.439,99 0.911,100 23.225,101 6.64,102 49.415,103 9.833,104 28,105 38,106 0.224,107 0.485,108 0.723,109 0.869,110 0.881,111 0.881,112 3.266,113 1.101,114 -4.63,115 -4.55,116 -4.28,121 36.8,122 3,123 6,125 1,127 3,129 1,144 3,145 2,146 1,161 1,176 12,179 1,180 6,183 2,185 1,187 15,192 5,197 1,200 13,206 8,211 3,214 7,219 8,224 3,227 5,231 1,232 4,237 3,239 4,244 5,249 3,251 5,255 1,256 3,259 1,264 6,277 9,281 937,282 16.979,283 16.979,284 16.979,285 16.979,286 16.979,287 16.139,288 22.483,289 10.188,290 17.297,291 13.235,292 13.235,293 13.235,294 13.235,295 13.235,296 11.855,297 28.055,298 4.735,299 13.69,300 4.495,301 2.934,302 1.509,303 0.636,304 0.566,305 0.566,306 3.946,311 1,312 1,313 645,314 4.062,317 100.411,318 57.937,320 81.025,321 86.91,324 121.638,325 1.846,326 18.078,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 53,338 304,339 4.78,340 3.899,341 7.933,342 4.675,343 3.685,344 4.16,345 2.186,346 14.943,347 3.652,348 3.988,349 3.662,350 6.169,351 3.648,352 2.696,353 3.314,354 0.8,355 8.716,356 2.571,357 3.669,358 2.858,359 5.67,360 3.363,361 2.426,362 2.875,363 0.366,364 7.464,365 2.255,366 3.35,367 2.593,368 5.407,369 3.209,370 2.241,371 2.52,373 7.008,374 2.156,375 3.299,376 2.394,377 4.802,378 2.966,379 1.993,380 2.388,382 5.418,383 1.927,384 2.797,385 1.875,386 4.66,387 2.756,388 1.758,389 1.795,391 4.059,392 1.749,393 2.612,394 1.521,395 4.149,396 2.333,397 1.357,398 1.646,400 3.492,401 1.321,402 2.3,403 1.461,404 3.773,405 2.215,406 1.227,407 1.289,409 2.988,410 1.208,411 2.269,412 1.167,413 3.332,414 2.112,415 1.12,416 1.25,418 2.309,419 1.11,420 1.735,421 0.901,422 3.251,423 1.654,424 0.675,425 0.705,427 1.382,428 0.659,429 1.578,430 0.788,431 2.895,432 1.501,433 0.533,434 0.546,436 0.934,437 0.513,438 1.385,439 0.683,440 2.78,441 1.182,442 0.209,443 0.23,445 0.398,446 0.202,447 0.961,448 0.295,449 2.683,450 0.784,451 -0.167,452 -0.175,454 -0.327,455 -0.158,456 0.815,457 -0.032,458 2.413,459 0.656,460 -0.348,461 -0.388,463 -0.671,464 -0.345,465 0.613,466 -0.349,467 2.343,468 0.319,469 -0.671,470 -0.751,472 -1.763,473 -0.658,474 11.967,475 0.479,476 0.592,477 0.024,478 23.5,479 0.94,480 8,481 0.32,482 15.5,483 0.62,484 28.072,485 1.123,486 29.433,487 0.516,488 14.779,489 0.591,490 3.762,491 0.15,492 8.318,493 0.333,494 0.153,495 0.042,496 0.242,501 0.794,502 1.474,503 1.005,504 1.307,505 0.617,506 1.193,507 0.623,508 1.098,509 0.952,510 1.045,511 0.385,512 1.027,513 0.963,514 1.043,515 1.002,516 1.023,517 0.666,518 1.012,519 0.937,520 1.177,521 1.077,522 1.18,523 0.868,524 1.15,525 1.098,526 0.951,527 0.886,528 0.923,529 1.138,530 0.887,531 1.764,532 0.915,533 1.095,534 0.911,535 1.534,536 0.938,537 1.493,538 1.097,539 0.982,540 1.016,541 1.702,542 0.957,543 2.555,544 0.86,545 1.369,546 0.892,547 3.408,548 0.993,549 5.5,550 0.094,551 3.333,552 2.396,553 1.366,554 0.663,555 0.497,556 0.322,557 0.201,558 0.135,559 7214,560 12639,561 2.028,562 56.1,563 12,564 10,567 1,569 9,572 1.676,573 1.887,574 3.492,575 -0.396,582 76.236,583 1.337,584 2.899,585 4.324,586 5.197,587 5.267,588 5.267,589 3.049,590 4.644,591 4.603,592 3.666,593 1099.73,594 7.944,595 13553.1,597 1,600 332.475,601 1.571,602 4.56,603 0.204,604 0.006,605 0.088,606 0.061,607 0.041,608 0.023,609 0.021,610 0.014,611 0.011,612 0.008,613 0.477,614 0.33,615 1,616 2.201,617 122.228,618 0.017,619 -0.139,620 0.062,621 -0.05,622 -0.009,623 0.001,624 0.307,625 0.085,626 0.085,627 0.054,628 0.25,629 0.048,630 -0.056,631 0.031,632 -0.002,633 0.018,634 0.009,635 0.017,636 -0.036,637 -0.158,638 -0.095,639 -0.153,640 0.004,641 -0.134,642 0.004,643 -0.031,644 0.095,645 0.009,646 0.003,647 0.056,648 -0.099,649 0.021,650 -0.044,651 0.026,652 -0.141,653 -0.002,654 -0.036,655 -0.127,656 0.056,657 -0.058,658 -0.054,660 -0.228,661 0.138,662 -0.22,663 0.014,664 -0.301,665 -0.09,666 2.002,667 5.01,668 0.48,669 26.173,670 0.984,671 1.134,672 3.396,673 11.53,674 0.62,675 3.332,676 3.664,677 3.97,678 4.277,679 4.489,680 4.615,681 4.787,682 4.868,683 4.852,684 4.868,685 6.713,686 0.568,687 344.55,688 3.332,689 4.875,690 5.74,691 6.645,692 7.547,693 8.472,694 9.395,695 10.332,696 11.267,697 12.211,698 3.5,701 1,705 1,715 3,720 3,722 6,737 1,741 57,743 7,744 1,745 27,747 59,748 21,749 6,750 3,751 3,756 3,757 6,763 3,764 1,766 1,767 3,770 7,772 7,773 14,777 1,782 1,786 1,793 32,794 4,795 1,796 4,802 2,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 3,868 25,876 9,877 1,878 1,880 1,881 1,882 1,893 3.5,896 1,898 1,901 13.25,902 10.867,903 5.681,904 4.149,907 1.288,908 1.176,909 0.928,910 5.932,911 8.585,912 3.466,913 3.942,914 4.41,915 4.923,916 5.398,917 5.648,918 6.016,919 6.271,920 6.329,921 6.416,922 1,923 39,924 9.339,926 3.896,927 0.026,929 7.49,931 18.702,933 15.843,936 1.99,937 49.75,938 0.001,939 1,940 1,941 364.904,942 94.806,943 21.135,945 36.145,948 94.806,949 401.049,950 21.135,951 26.476,952 39.535,953 28.429,954 25.145,955 25.739,956 6.763,957 364.904,959 364.904,960 115.941,961 36.145,964 258.964,965 142.085,968 69.135,969 46.806,972 364.904,973 57.28,974 94.806,977 364.904,978 39.901,979 58.029,980 18.011,981 36.145,982 364.904,983 57.28,984 94.806,986 0.57,987 0.337,988 0.183,989 0.099,990 18,991 8,992 0.136,993 8,994 2,995 1.333,996 3.723,997 201.569,998 0.333,999 12,1000 116.096,1005 18.567,1006 7.988,1007 3.814,1009 57.28,1010 6.192,1015 3.46,1017 18.011,1018 516.99,1019 31,1024 12.01,1028 -0.335,1031 56.112,1032 64.643,1034 0.229,1035 0.497,1036 0.741,1037 0.891,1038 0.903,1039 0.903,1040 4.741,1041 1.227,1042 5.759,1043 3.492,1044 4.344,1045 4.625,1046 2.351,1047 6.673,1048 4.283,1049 5.914,1050 1.12,1051 7.386,1052 2.988,1053 4.111,1054 4.494,1055 1.847,1056 8.069,1057 4.039,1058 7.235,1059 0.675,1060 9.143,1061 2.309,1062 6.061,1063 6.665,1064 3.504,1065 11.224,1066 5.958,1067 8.6,1068 0.533,1069 10.988,1070 1.382,1071 6.735,1072 7.368,1073 3.598,1074 13.535,1075 6.639,1076 10.009,1077 0.209,1078 12.894,1079 0.934,1080 8.205,1081 9.081,1082 4.907,1083 16.344,1084 8.091,1085 11.45,1086 -0.167,1087 14.843,1088 0.398,1089 9.269,1090 10.151,1091 5.29,1092 18.938,1093 9.165,1094 12.916,1095 -0.348,1096 16.824,1097 -0.327,1098 10.601,1099 11.699,1100 6.387,1101 21.668,1102 10.489,1103 3.685,1104 -0.671,1105 18.829,1106 -0.671,1107 11.817,1108 12.943,1109 6.93,1110 24.341,1111 11.709,1112 2.696,1113 14.943,1114 20.852,1115 -1.763,1116 13.118,1117 14.424,1118 7.902,1119 27.053,1120 13.004,1121 2.426,1122 8.716,1123 22.887,1124 4.16,1125 14.389,1126 15.754,1127 8.539,1128 29.748,1129 14.273,1130 2.241,1131 7.464,1132 24.931,1133 3.314,1134 15.686,1135 17.205,1136 9.436,1137 32.454,1138 15.565,1139 1.993,1140 7.008,1141 26.983,1142 2.875,1143 16.977,1144 18.579,1145 10.13,1146 35.156,1147 16.85,1148 1.758,1149 5.418,1150 29.039,1151 2.52,1152 18.277,1153 20.016,1154 10.981,1155 37.861,1156 18.143,1157 1.357,1158 4.059,1159 31.099,1160 2.388,1161 19.575,1162 21.413,1163 11.71,1164 40.564,1165 19.434,1166 7202,1167 9681,1168 17.682,1169 35.341,1170 39.972,1171 40.988,1172 42.158,1173 39.851,1174 39.841,1175 45.439,1176 6.705,1177 118.221,1178 38.645,1179 5.743,1180 5.899,1181 7.886,1182 5.753,1183 5.685,1184 7.16,1185 3.889,1186 23.402,1187 5.652,1188 12.991,1189 1.48,1190 1.518,1191 1.561,1192 1.476,1193 1.476,1194 1.683,1195 0.248,1196 4.379,1197 1.431,1198 4.099,1199 4.132,1200 4.037,1201 4.028,1202 7.435,1203 4.026,1204 3.771,1205 3.837,1206 3.656,1207 3.625,1208 4.819,1209 3.611,1210 3.712,1211 3.76,1212 3.584,1213 3.577,1214 4.418,1215 3.578,1216 3.53,1217 3.6,1218 3.401,1219 3.314,1220 4.252,1221 3.317,1222 3.404,1223 3.486,1224 3.205,1225 3.24,1226 4.135,1227 3.219,1228 3.283,1229 3.335,1230 3.116,1231 3.076,1232 4.008,1233 3.081,1234 3.134,1235 3.212,1236 2.959,1237 2.937,1238 3.931,1239 2.943,1240 3.076,1241 3.184,1242 2.819,1243 2.881,1244 3.651,1245 2.852,1246 0.177,1247 0.144,1248 0.294,1249 0.173,1250 0.136,1251 4.78,1252 0.154,1253 3.899,1254 0.081,1255 7.933,1256 0.553,1257 4.675,1258 0.135,1259 3.685,1260 4.16,1261 2.186,1262 14.943,1263 3.652,1264 1.911,1265 1.893,1266 2.025,1267 1.997,1268 1.353,1269 2.002,1270 1.764,1271 1.698,1272 2.011,1273 1.936,1274 1.312,1275 1.967,1276 1.677,1277 1.623,1278 1.892,1279 1.863,1280 1.218,1281 1.876,1282 1.591,1283 1.52,1284 1.843,1285 1.774,1286 1.072,1287 1.798,1288 1.499,1289 1.423,1290 1.794,1291 1.733,1292 1.034,1293 1.755,1294 1.284,1295 1.214,1296 1.606,1297 1.517,1298 0.828,1299 1.546,1300 1.181,1301 1.118,1302 1.481,1303 1.465,1304 0.64,1305 1.477,1306 1.075,1307 0.986,1308 1.444,1309 1.314,1310 0.596,1311 1.364,1312 4.007,1314 5.333,1315 3.045,1316 6.862,1317 5.587,1318 8.501,1319 7.832,1320 10.212,1322 6.801,1328 9.858,1329 2.86,1330 5.529,1332 0.593,1333 2.587,1334 0.196,1340 32.374,1341 76.236,1342 165.24,1343 246.461,1344 296.21,1345 300.21,1346 300.21,1347 44.424,1348 7.297,1349 41.57,1350 41.57,1351 16,1352 12.706,1353 3,1354 2.322,1355 42.151,1356 99,1357 131,1358 0.211,1359 199.901,1360 352.9,1361 479.518,1362 13638,1364 17.864,1365 0.715,1366 0.637,1367 17.864,1368 15.937,1369 12.08,1370 0.447,1371 0.367,1372 9.821,1373 11.711,1374 9.503,1375 7.945,1376 12.08,1377 9.913,1378 10.644,1379 0.28,1380 0.203,1381 10.644,1382 7.712,1383 9.036,1384 0.174,1385 0.118,1386 9.036,1387 6.121,1388 7.566,1389 0.107,1390 0.064,1391 7.566,1392 4.571,1393 6.001,1394 0.068,1395 0.036,1396 6.001,1397 3.17,1398 0.337,1399 74.902,1400 0.238,1401 24.622,1402 0.563,1403 130,1404 297.449,1405 140.889,1406 284.739,1407 395.17,1408 268,1409 155,1410 297.064,1411 164.812,1412 298.493,1413 442.25,1414 282,1415 7.523}
{0 CHEMBL342413,1 1.451,2 12.444,3 3.432,4 11.777,5 105.953,6 6.99,7 0.4,8 4.037,9 4.163,10 3.559,11 3.591,12 5.052,13 3.556,14 4.614,15 4.797,16 3.911,17 4.014,18 5.595,19 3.944,20 4.937,21 5.165,22 3.979,23 4.182,24 5.848,25 4.077,26 5.033,27 5.295,28 3.87,29 4.113,30 6.054,31 3.982,32 4.93,33 5.207,34 3.71,35 3.998,36 5.824,37 3.867,38 4.776,39 5.022,40 3.645,41 3.95,42 5.682,43 3.819,44 4.775,45 5.026,46 3.535,47 3.89,48 5.697,49 3.743,50 4.65,51 4.921,52 3.365,53 3.734,54 5.547,55 3.575,56 0.029,57 0.759,58 11.361,59 4.839,60 6.023,61 6.662,62 0.306,63 1.279,64 21.759,65 8.239,66 21.715,67 11.738,68 0.2,69 1.62,70 31.225,71 11.659,72 29.045,73 16.656,74 0.485,75 1.654,76 36.198,77 12.299,78 84.055,79 17.813,80 0.399,81 1.474,82 33.118,83 10.843,84 61.712,85 15.729,86 0.289,87 1.307,88 27.366,89 9.967,90 40.577,91 14.035,92 0.295,93 1.257,94 27.729,95 9.973,96 52.15,97 13.969,98 0.423,99 1.108,100 24.96,101 8.557,102 50.849,103 12.274,104 5,105 41,106 0.243,107 0.545,108 0.69,109 0.796,110 0.844,111 0.844,112 3.339,113 0.969,114 -4.4,115 -4.34,116 -4.09,121 42.3,123 3,124 1,127 4,144 9,145 2,146 1,160 1,161 1,176 13,179 2,180 6,183 2,185 2,187 13,192 6,197 2,200 5,205 1,206 13,209 1,211 2,214 3,219 7,224 1,227 7,231 1,232 5,237 2,239 12,251 11,255 2,256 2,259 1,264 8,269 3,277 3,281 1087,282 18.568,283 18.568,284 18.568,285 18.568,286 18.568,287 16.868,288 22.611,289 11.123,290 18.797,291 14.822,292 14.822,293 14.822,294 14.822,295 14.822,296 12.264,297 29.506,298 5.316,299 15.16,300 4.249,301 2.446,302 1.575,303 0.945,304 0.654,305 0.654,306 4.041,310 1,311 1,312 1,313 740,314 2.646,318 334.105,322 129.887,325 1.951,326 24.518,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 57.5,338 336,339 4.463,340 3.907,341 6.746,342 4.163,343 3.187,344 4.005,345 1.725,346 10.914,347 3.106,348 3.941,349 3.327,350 5.928,351 3.69,352 2.727,353 3.457,354 1.058,355 8.136,356 2.635,357 3.792,358 3.018,359 5.615,360 3.502,361 2.518,362 3.071,363 0.916,364 7.782,365 2.483,366 3.592,367 2.679,368 5.327,369 3.401,370 2.419,371 2.631,372 0.214,373 6.928,374 2.361,375 3.394,376 2.56,377 5.181,378 3.036,379 2.07,380 2.573,381 0.172,382 6.005,383 2.012,384 3.171,385 2.25,386 4.953,387 3.013,388 2.026,389 2.239,391 5.86,392 1.961,393 2.884,394 1.831,395 3.939,396 2.439,397 1.446,398 2.044,400 3.116,401 1.434,402 2.823,403 1.538,404 3.715,405 2.412,406 1.418,407 1.924,409 3.043,410 1.408,411 2.586,412 1.514,413 3.594,414 2.155,415 1.155,416 1.569,418 2.93,419 1.148,420 2.5,421 1.311,422 3.47,423 2,424 1,425 1.5,427 2.275,428 1,429 2.186,430 1.077,431 3.414,432 1.984,433 1,434 1.053,436 2.136,437 0.983,438 2,439 1,440 3.247,441 1.89,442 0.876,443 1,445 2.089,446 0.882,447 1.443,448 0.687,449 2.994,450 1.243,451 0.247,452 0.277,454 0.619,455 0.244,456 1.284,457 0.524,458 2.762,459 0.915,460 -0.077,461 -0.09,463 -0.197,464 -0.076,465 1.118,466 0.272,467 2.615,468 0.868,469 -0.141,470 -0.18,472 -0.344,473 -0.141,474 12.867,475 0.477,476 0.554,477 0.021,478 33,479 1.222,480 15.5,481 0.574,482 17.5,483 0.648,484 23.045,485 0.854,486 29.133,487 0.56,488 22.976,489 0.851,490 6.346,491 0.235,492 6.858,493 0.254,494 0.052,496 0.295,501 0.68,502 1.37,503 0.827,504 1.112,505 0.496,506 1.002,507 0.618,508 1.081,509 0.968,510 1.031,511 0.486,512 1.033,513 0.854,514 1.182,515 0.981,516 1.134,517 0.726,518 1.077,519 1.014,520 1.044,521 0.991,522 1.019,523 0.971,524 1.003,525 1.299,526 0.814,527 0.983,528 0.802,529 1.237,530 0.84,531 1.107,532 0.929,533 1.085,534 1.024,535 1.143,536 1.047,537 1.3,538 1.036,539 1.135,540 1.071,541 1.505,542 1.091,543 1.118,544 0.791,545 1.076,546 0.873,547 1.311,548 0.962,549 4.5,550 0.14,551 2.667,552 1.625,553 1.551,554 0.646,555 0.463,556 0.328,557 0.176,558 0.082,559 10292,560 23778,561 2.142,562 48.1,563 1,564 17,567 1,569 6,572 1.694,573 2.051,574 3.565,575 -0.382,577 1,582 75.464,583 1.451,584 3.255,585 4.125,586 4.756,587 5.047,588 5.047,589 3.056,590 4.282,591 4.727,592 3.753,593 1317.31,594 8.168,595 17560.8,597 1,599 1,600 296.423,601 1.218,602 4.706,603 0.15,604 0.008,605 0.065,606 0.039,607 0.044,608 0.021,609 0.016,610 0.013,611 0.008,612 0.004,613 0.369,614 0.33,615 1,616 0.454,617 136.387,618 -0.008,619 -0.171,620 0.061,621 -0.038,622 0.004,623 0.009,624 0.197,625 0.068,626 -0.034,627 -0.026,628 0.077,629 -0.057,630 -0.014,631 -0.161,632 -0.025,633 -0.138,634 0.031,635 -0.089,636 0.104,637 -0.094,638 0.016,639 -0.067,640 0.165,641 -0.04,642 -0.132,643 0.129,644 0.039,645 0.135,646 -0.073,647 0.116,648 -0.085,649 0.045,650 -0.102,651 -0.044,652 -0.095,653 -0.068,654 -0.141,655 -0.108,656 -0.136,657 -0.091,658 -0.181,659 -0.113,660 0.021,661 0.144,662 -0.064,663 0.078,664 -0.124,665 0.003,666 1.972,667 5.612,668 0.815,669 26.733,670 0.994,671 1.125,672 3.175,673 10.08,674 0.66,675 3.434,676 3.738,677 4.007,678 4.248,679 4.477,680 4.466,681 4.522,682 4.625,683 4.718,684 4.7,685 7.222,686 0.621,687 363.5,688 3.434,689 4.963,690 5.808,691 6.673,692 7.532,693 8.403,694 9.267,695 10.141,696 11.009,697 11.885,698 5.8,701 1,705 2,715 9,720 3,722 12,741 52,743 14,744 2,745 30,747 55,748 22,749 12,750 3,751 9,752 1,756 4,757 5,761 1,767 2,768 1,770 3,772 14,773 8,774 1,777 2,782 2,786 2,789 1,790 1,793 25,794 5,795 1,796 5,802 3,805 1,808 0.75,809 2,829 4,833 1,855 1,859 3,868 27,876 7,877 1,880 1,881 2,893 3.8,896 2,901 13.167,902 9.067,903 5.944,904 3.319,907 2.154,908 1.285,909 0.992,910 5.443,911 9.717,912 3.664,913 4.159,914 4.64,915 5.115,916 5.544,917 5.529,918 5.713,919 5.903,920 6.039,921 6.044,922 1,923 42,924 10.073,926 4.347,927 0.026,929 7.673,931 19.621,933 16.615,936 2.173,937 58.667,939 1,940 1,941 282.506,942 119.421,943 24.259,945 50.29,948 119.421,949 332.796,950 24.259,952 37.161,953 85.286,954 54.995,955 12.252,956 4.276,957 282.506,959 282.506,960 143.68,961 50.29,964 211.88,965 120.916,968 40.286,969 103.395,972 282.506,973 74.549,974 119.421,977 282.506,978 34.135,979 91.535,980 18.011,981 50.29,982 282.506,983 74.549,984 119.421,986 0.576,987 0.339,988 0.184,989 0.101,990 20,991 8,992 0.091,993 5,994 1,995 1.091,996 4.046,997 225.391,998 0.091,999 22,1000 120.382,1005 18.058,1006 8.138,1007 4.165,1009 74.549,1010 17.75,1015 2.54,1017 18.011,1018 476.477,1019 38,1024 24.893,1028 -0.49,1031 51.68,1032 58.481,1034 0.255,1035 0.571,1036 0.724,1037 0.834,1038 0.885,1039 0.885,1040 4.898,1041 1.418,1042 5.771,1043 3.116,1044 4.419,1045 4.844,1046 2.289,1047 6.553,1048 4.375,1049 6.051,1050 1.155,1051 7.309,1052 3.043,1053 3.892,1054 4.425,1055 1.404,1056 7.387,1057 3.817,1058 7.322,1059 1,1060 8.948,1061 2.93,1062 5.979,1063 6.855,1064 2.794,1065 10.498,1066 5.88,1067 8.623,1068 1,1069 10.649,1070 2.275,1071 6.293,1072 7.258,1073 2.561,1074 12.191,1075 6.164,1076 9.959,1077 0.876,1078 12.392,1079 2.136,1080 7.82,1081 9.167,1082 3.577,1083 14.823,1084 7.667,1085 11.318,1086 0.247,1087 14.164,1088 2.089,1089 8.545,1090 9.985,1091 3.705,1092 16.89,1093 8.362,1094 12.698,1095 -0.077,1096 15.958,1097 0.619,1098 9.834,1099 11.656,1100 4.514,1101 19.365,1102 9.628,1103 3.187,1104 -0.141,1105 17.769,1106 -0.197,1107 10.769,1108 12.704,1109 4.838,1110 21.604,1111 10.534,1112 2.727,1113 10.914,1114 19.595,1115 -0.344,1116 11.96,1117 14.248,1118 5.53,1119 24.024,1120 11.701,1121 2.518,1122 8.136,1123 21.432,1124 4.005,1125 13.001,1126 15.431,1127 5.957,1128 26.343,1129 12.714,1130 2.419,1131 7.782,1132 23.28,1133 3.457,1134 14.156,1135 16.905,1136 6.584,1137 28.743,1138 13.844,1139 2.07,1140 6.928,1141 25.136,1142 3.071,1143 15.25,1144 18.168,1145 7.065,1146 31.099,1147 14.912,1148 2.026,1149 6.005,1150 27,1151 2.631,1152 16.394,1153 19.601,1154 7.656,1155 33.493,1156 16.031,1157 1.446,1158 5.86,1159 28.87,1160 2.573,1161 17.516,1162 20.913,1163 8.166,1164 35.866,1165 17.127,1166 9578,1167 14721,1168 20.572,1169 34.302,1170 44.653,1171 46.346,1172 45.237,1173 44.205,1174 44.175,1175 54.685,1176 8.173,1177 123.666,1178 43.315,1179 5.463,1180 5.907,1181 6.548,1182 5.235,1183 5.187,1184 7.005,1185 3.025,1186 18.424,1187 5.106,1188 9.249,1189 1.488,1190 1.545,1191 1.508,1192 1.473,1193 1.473,1194 1.823,1195 0.272,1196 4.122,1197 1.444,1198 4.011,1199 4.05,1200 3.959,1201 3.904,1202 7.445,1203 3.909,1204 3.936,1205 3.975,1206 3.859,1207 3.855,1208 7.412,1209 3.852,1210 3.82,1211 3.867,1212 3.706,1213 3.72,1214 4.761,1215 3.709,1216 3.565,1217 3.621,1218 3.481,1219 3.358,1220 4.723,1221 3.38,1222 3.322,1223 3.385,1224 3.194,1225 3.124,1226 4.324,1227 3.135,1228 3.117,1229 3.206,1230 3.055,1231 2.941,1232 4.033,1233 2.916,1234 3.111,1235 3.179,1236 2.893,1237 2.924,1238 3.88,1239 2.91,1240 3.054,1241 3.09,1242 2.866,1243 2.865,1244 3.708,1245 2.888,1246 0.149,1247 0.13,1248 0.225,1249 0.139,1250 0.106,1251 4.463,1252 0.133,1253 3.907,1254 0.058,1255 6.746,1256 0.364,1257 4.163,1258 0.104,1259 3.187,1260 4.005,1261 1.725,1262 10.914,1263 3.106,1264 1.944,1265 1.913,1266 2.102,1267 2.085,1268 1.483,1269 2.089,1270 1.925,1271 1.893,1272 2.028,1273 2.043,1274 1.171,1275 2.039,1276 1.833,1277 1.784,1278 2.002,1279 1.946,1280 1.116,1281 1.969,1282 1.506,1283 1.444,1284 1.73,1285 1.728,1286 0.993,1287 1.731,1288 1.267,1289 1.21,1290 1.513,1291 1.507,1292 0.825,1293 1.5,1294 1.153,1295 1.064,1296 1.475,1297 1.376,1298 0.689,1299 1.429,1300 1.089,1301 1.02,1302 1.347,1303 1.322,1304 0.45,1305 1.342,1306 0.983,1307 0.948,1308 1.192,1309 1.221,1310 0.308,1311 1.2,1312 4.111,1314 5.416,1316 6.929,1318 8.535,1320 10.19,1328 6.742,1329 2.82,1332 0.565,1333 3.847,1340 32.289,1341 75.464,1342 169.251,1343 214.509,1344 247.303,1345 262.423,1346 262.423,1347 47.702,1348 7.563,1349 58.1,1350 58.1,1351 24,1352 12.426,1353 3.907,1354 3.17,1355 40.559,1356 119,1357 113,1358 0.166,1359 197.185,1360 347.38,1361 472.89,1362 22060,1364 18.64,1365 0.69,1366 0.572,1367 18.64,1368 15.434,1369 13.204,1370 0.44,1371 0.323,1372 9.585,1373 12.816,1374 9.402,1375 7.765,1376 13.204,1377 9.687,1378 11.648,1379 0.284,1380 0.181,1381 11.648,1382 7.426,1383 9.99,1384 0.185,1385 0.104,1386 9.99,1387 5.606,1388 8.335,1389 0.121,1390 0.058,1391 8.335,1392 3.989,1393 6.728,1394 0.077,1395 0.034,1396 6.728,1397 2.958,1398 0.268,1399 81.934,1400 0.22,1401 26.471,1402 0.433,1403 142,1404 369.094,1405 153.478,1406 359.019,1407 489.43,1408 336,1409 166,1410 356.16,1411 178.146,1412 361.807,1413 530.61,1414 341,1415 8.377}
{0 CHEMBL343237,1 1.127,2 7.8,3 3.394,4 11.518,5 66.045,6 5.649,7 0.375,8 3.618,9 3.767,10 2.958,11 3.173,12 4.43,13 3.082,14 4.22,15 4.447,16 3.219,17 3.571,18 4.914,19 3.436,20 4.526,21 4.803,22 3.148,23 3.715,24 5.123,25 3.511,26 4.576,27 4.9,28 2.843,29 3.593,30 5.076,31 3.321,32 4.397,33 4.757,34 2.719,35 3.341,36 4.862,37 3.092,38 3.988,39 4.268,40 2.691,41 3.207,42 4.616,43 3.015,44 4.013,45 4.305,46 2.545,47 3.189,48 4.623,49 2.963,50 3.913,51 4.238,52 2.225,53 2.981,54 4.466,55 2.715,56 0.046,57 0.492,58 9.049,59 3.732,60 5.468,61 5.482,62 0.1,63 0.822,64 15.787,65 6.038,66 8.964,67 9.108,68 0.118,69 1.016,70 20.219,71 8.092,72 11.358,73 12,74 0.105,75 0.971,76 20.02,77 8.256,78 11.546,79 12.122,80 0.104,81 0.781,82 16.379,83 6.279,84 9.721,85 9.465,86 0.061,87 0.585,88 11.622,89 4.85,90 7.165,91 7.085,92 0.053,93 0.577,94 11.616,95 5.109,96 7.576,97 7.325,98 0.045,99 0.489,100 10.08,101 4.479,102 7.002,103 6.4,104 2,105 20,106 0.212,107 0.481,108 0.697,109 0.765,110 0.78,111 0.78,112 2.792,113 1.145,114 -4.49,115 -4.42,116 -4.16,121 38.9,122 1,123 3,124 1,127 3,144 5,145 1,176 10,180 3,187 11,192 2,200 5,206 3,214 3,219 2,227 3,232 1,239 6,251 7,264 6,277 3,281 210,282 10.276,283 10.276,284 10.276,285 10.276,286 10.276,287 9.525,288 9.904,289 6.405,290 10.392,291 7.916,292 7.916,293 7.916,294 7.916,295 7.916,296 6.872,297 9.832,298 3.101,299 8.095,300 4.043,301 2.61,302 1.462,303 1.097,304 1.021,305 1.021,306 3.448,311 1,312 1,313 246,314 1.871,318 99.124,325 1.173,326 3.571,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 30.5,338 117,339 3.905,340 2.908,341 5.456,342 3.611,343 2.649,344 3.445,345 0.8,346 7.281,347 2.564,348 3.603,349 2.659,350 5.292,351 3.474,352 2.481,353 2.613,355 6.829,356 2.458,357 3.107,358 2.185,359 4.879,360 3.038,361 2.078,362 2.158,364 5.666,365 1.984,366 2.893,367 1.583,368 3.636,369 2.489,370 1.493,371 2.01,373 3.146,374 1.487,375 2.5,376 1.077,377 3.414,378 2,379 1,380 1.5,382 2.275,383 1,384 2,385 1,386 3.247,387 1.984,388 1,389 1,391 2.136,392 0.983,393 1.797,394 0.781,395 3.103,396 1.672,397 0.689,398 0.746,400 1.572,401 0.676,402 0.963,403 0.012,404 2.306,405 0.859,406 -0.128,407 -0.134,409 -0.28,410 -0.126,411 0.604,412 -0.498,413 2,414 0.334,415 -0.654,416 -0.763,418 -1.437,419 -0.645,420 0.5,421 -0.784,422 1.659,424 -1,425 -1,427 -2.347,428 -0.946,430 -1,431 1.555,432 -0.049,433 -1,434 -1.279,436 -2.826,437 -1,438 -0.044,439 -1.072,440 1.142,441 -0.19,442 -1.17,443 -1.5,445 -3,446 -1.142,447 -0.441,448 -1.405,449 0.891,450 -0.525,451 -1.511,452 -1.668,454 -3.879,455 -1.488,456 -0.5,457 -1.673,458 0.637,459 -0.963,460 -1.926,461 -2,463 -4.789,464 -1.867,465 -0.886,466 -1.893,467 0.586,468 -1,469 -2,470 -2.128,471 -0.4,472 -5.071,473 -1.936,474 7.4,475 0.493,476 0.243,477 0.016,478 14.75,479 0.983,480 6,481 0.4,482 8.75,483 0.583,484 12.815,485 0.854,486 17.2,487 0.478,488 6.74,489 0.449,490 2.565,491 0.171,492 4.778,493 0.319,494 0.068,496 0.189,501 1.07,502 1.409,503 1.11,504 1.244,505 1.047,506 1.191,507 1.853,508 1.148,509 1.198,510 1.088,511 1.029,512 1.109,513 1.411,514 1.109,515 1.185,516 1.121,517 1.053,518 1.139,519 0.772,520 1.074,521 0.992,522 1.057,523 0.799,524 1.038,525 1.153,526 0.648,527 0.702,528 0.618,529 0.628,530 0.636,531 1.014,532 1.014,533 1.036,534 1.03,535 1.131,536 1.033,537 0.689,538 1.009,539 1.053,540 1.083,541 1.308,542 1.085,543 0.428,544 0.915,545 0.918,546 0.983,547 1.069,548 0.974,549 2.5,550 0.012,551 1.111,552 0.188,553 0.493,554 0.236,555 0.041,556 0.111,557 0.082,558 0.03,559 1832,560 2833,561 2.071,562 58.3,563 4,564 11,569 6,572 1.521,573 2,574 3.002,575 -0.912,579 1,582 40.576,583 1.127,584 2.56,585 3.708,586 4.072,587 4.149,588 4.149,589 2.473,590 3.057,591 3.882,592 3.068,593 322.115,594 6.46,595 2713.17,597 1,600 186.117,601 1.053,602 3.867,603 0.156,604 0.012,605 0.056,606 0.011,607 0.045,608 0.021,609 0.004,610 0.012,611 0.014,612 0.01,613 0.341,614 0.83,615 1,616 0.521,617 60.124,618 0.153,619 -0.146,620 0.059,621 -0.042,622 0.108,623 -0.004,624 -0.179,625 0.011,626 -0.093,627 -0.037,628 -0.006,629 -0.057,630 -0.182,631 -0.078,632 -0.172,633 -0.13,634 -0.133,635 -0.147,636 0.043,637 -0.168,638 -0.064,639 -0.124,640 0.004,641 -0.103,642 0.06,643 0.228,644 0.215,645 0.241,646 0.199,647 0.236,648 -0.062,649 -0.006,650 -0.043,651 -0.024,652 -0.086,653 -0.031,654 -0.078,655 -0.048,656 -0.098,657 -0.08,658 -0.22,659 -0.088,660 0.023,661 -0.031,662 -0.013,663 -0.026,664 -0.042,665 -0.022,666 0.391,667 0.604,668 0.8,669 8.533,670 0.97,671 1.129,672 3.261,673 10.635,674 0.628,675 2.833,676 3.045,677 3.178,678 3.296,679 3.497,680 3.219,681 3.135,682 3.219,683 3.219,684 3.045,685 4.643,686 0.564,687 203.36,688 2.833,689 4.29,690 5.069,691 5.872,692 6.666,693 7.47,694 8.269,695 9.074,696 9.875,697 10.679,698 2.8,701 1,715 5,720 1,722 6,741 36,743 6,744 1,745 16,747 37,748 14,749 6,750 1,751 5,756 2,757 2,763 1,767 2,768 1,770 3,772 6,773 8,774 1,790 1,793 21,794 1,796 1,802 1,808 1,829 2,855 1,859 2,864 1,868 15,876 6,880 1,881 1,901 7.5,902 6.45,903 3.417,904 2.453,907 1.067,908 1.19,909 0.942,910 3.789,911 6.698,912 2.996,913 3.384,914 3.732,915 4.088,916 4.499,917 4.062,918 4.108,919 4.29,920 4.49,921 4.473,922 1,923 17,924 5.588,925 -0.001,926 2.229,927 0.026,929 7.233,931 11.489,933 9.487,936 1.733,937 26,938 0.017,941 247.193,942 73.313,943 3.124,948 73.313,949 247.193,950 3.124,951 8.825,952 13.921,953 47.381,955 6.31,957 247.193,959 247.193,960 76.437,964 176.567,965 70.627,968 25.87,969 50.567,972 247.193,973 3.124,974 73.313,977 247.193,978 17.106,979 59.331,982 247.193,983 3.124,984 73.313,986 0.558,987 0.302,988 0.149,989 0.087,990 9,991 3,992 0.081,993 3,995 1,996 2.902,997 88.903,999 12,1000 50.603,1005 10.691,1006 5.316,1007 3.35,1009 3.124,1010 10.812,1015 1.469,1018 323.63,1019 19,1031 34.938,1032 40.65,1034 0.218,1035 0.495,1036 0.717,1037 0.788,1038 0.803,1039 0.803,1040 4.167,1041 -0.128,1042 4.977,1043 1.572,1044 3.714,1045 4.06,1046 0.673,1047 5.602,1048 3.67,1049 5.248,1050 -0.654,1051 6.415,1052 -0.28,1053 2.944,1054 3.277,1055 0.325,1056 6.071,1057 2.855,1058 6.451,1059 -1,1060 7.942,1061 -1.437,1062 5.13,1063 5.906,1064 0.379,1065 9.052,1066 5.037,1067 7.676,1068 -1,1069 9.519,1070 -2.347,1071 5.142,1072 5.866,1073 0.268,1074 10.317,1075 5,1076 8.931,1077 -1.17,1078 11.128,1079 -2.826,1080 6.767,1081 8.038,1082 0.239,1083 12.737,1084 6.624,1085 10.204,1086 -1.511,1087 12.757,1088 -3,1089 7.172,1090 8.388,1091 0.188,1092 14.342,1093 6.984,1094 11.492,1095 -1.926,1096 14.399,1097 -3.879,1098 8.511,1099 10.313,1100 0.156,1101 16.529,1102 8.317,1103 2.649,1104 -2,1105 16.051,1106 -4.789,1107 9.139,1108 10.905,1109 0.125,1110 18.303,1111 8.903,1112 2.481,1113 7.281,1114 17.709,1115 -5.071,1116 10.316,1117 12.664,1118 0.102,1119 20.379,1120 10.07,1121 2.078,1122 6.829,1123 19.372,1124 3.445,1125 11.076,1126 13.422,1127 0.082,1128 22.243,1129 10.791,1130 1.493,1131 5.666,1132 21.038,1133 2.613,1134 12.161,1135 15.057,1136 0.066,1137 24.264,1138 11.862,1139 1,1140 3.146,1141 22.707,1142 2.158,1143 13.001,1144 15.934,1145 0.054,1146 26.176,1147 12.664,1148 1,1149 2.275,1150 24.379,1151 2.01,1152 14.033,1153 17.474,1154 0.043,1155 28.171,1156 13.677,1157 0.689,1158 2.136,1159 26.052,1160 1.5,1161 14.921,1162 18.44,1163 0.035,1164 30.109,1165 14.529,1166 1835,1167 2324,1168 10.92,1169 22.62,1170 22.984,1171 22.741,1172 23.055,1173 22.799,1174 22.779,1175 26.945,1176 1.6,1177 57.806,1178 22.301,1179 4.905,1180 4.908,1181 5.258,1182 4.646,1183 4.649,1184 6.445,1185 1.2,1186 12.556,1187 4.564,1188 4.601,1189 1.436,1190 1.421,1191 1.441,1192 1.425,1193 1.424,1194 1.684,1195 0.1,1196 3.613,1197 1.394,1198 3.95,1199 3.998,1200 3.858,1201 3.871,1202 4.754,1203 3.863,1204 3.838,1205 3.889,1206 3.718,1207 3.719,1208 4.355,1209 3.71,1210 3.428,1211 3.506,1212 3.26,1213 3.271,1214 3.965,1215 3.259,1216 3.118,1217 3.213,1218 2.905,1219 2.941,1220 3.702,1221 2.915,1222 3.111,1223 3.206,1224 2.866,1225 2.935,1226 3.674,1227 2.91,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.474,1233 2.715,1234 2.744,1235 2.843,1236 2.508,1237 2.569,1238 3.324,1239 2.543,1240 2.503,1241 2.627,1242 2.179,1243 2.25,1244 2.937,1245 2.215,1246 0.244,1247 0.182,1248 0.341,1249 0.226,1250 0.166,1251 3.905,1252 0.215,1253 2.908,1254 0.05,1255 5.456,1256 0.455,1257 3.611,1258 0.16,1259 2.649,1260 3.445,1261 0.8,1262 7.281,1263 2.564,1264 1.931,1265 1.896,1266 2.096,1267 2.057,1268 1.446,1269 2.074,1270 1.842,1271 1.786,1272 2.031,1273 1.971,1274 1.216,1275 1.993,1276 1.437,1277 1.364,1278 1.711,1279 1.637,1280 0.912,1281 1.668,1282 1.153,1283 1.064,1284 1.513,1285 1.381,1286 0.825,1287 1.432,1288 1.146,1289 1.054,1290 1.513,1291 1.376,1292 0.691,1293 1.429,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.317,1299 1.107,1300 0.773,1301 0.685,1302 1.133,1303 1.017,1304 0.218,1305 1.064,1306 0.545,1307 0.422,1308 0.991,1309 0.833,1310 0.161,1311 0.894,1312 3.497,1314 4.727,1316 6.155,1318 7.66,1320 9.198,1322 2.37,1328 7.803,1332 0.943,1333 2.604,1340 20.289,1341 40.576,1342 92.143,1343 133.488,1344 146.608,1345 149.362,1346 149.362,1347 16.157,1348 5.631,1349 3.24,1350 3.24,1351 12,1352 11.273,1353 2.807,1354 2,1355 23.836,1356 42,1357 35,1358 0.284,1359 128.289,1360 218.22,1361 304.784,1362 1667,1364 10.51,1365 0.701,1366 0.644,1367 10.51,1368 9.654,1369 7.343,1370 0.459,1371 0.382,1372 6.075,1373 7.237,1374 5.877,1375 4.925,1376 7.343,1377 6.107,1378 6.207,1379 0.31,1380 0.238,1381 6.207,1382 4.76,1383 4.843,1384 0.211,1385 0.149,1386 4.843,1387 3.436,1388 3.565,1389 0.137,1390 0.085,1391 3.565,1392 2.218,1393 2.992,1394 0.094,1395 0.055,1396 2.992,1397 1.747,1398 0.447,1399 44.672,1400 0.303,1401 15.635,1402 0.764,1403 72,1404 123.645,1405 74.082,1406 126.095,1407 175.73,1408 120,1409 79,1410 127.113,1411 81.498,1412 132.66,1413 188.49,1414 125,1415 6.745}
{0 CHEMBL343344,1 1.438,2 5.786,3 0.31,4 0.096,5 53.697,6 6.476,7 0.429,8 3.456,9 3.587,10 2.891,11 2.888,12 4.527,13 2.856,14 3.993,15 4.215,16 3.232,17 3.232,18 5.062,19 3.195,20 4.193,21 4.372,22 3.152,23 3.437,24 5.223,25 3.329,26 4.353,27 4.645,28 3.04,29 3.421,30 5.188,31 3.243,32 4.17,33 4.433,34 2.886,35 3.212,36 5.121,37 3.059,38 3.983,39 4.244,40 2.482,41 2.884,42 4.903,43 2.722,44 3.567,45 3.849,46 2.26,47 2.56,48 4.62,49 2.415,50 3.461,51 3.695,52 1.265,53 2.287,54 4.635,55 2.034,56 0.01,57 0.398,58 7.094,59 2.659,60 4.5,61 3.831,62 0.234,63 0.598,64 12.79,65 3.855,66 21.657,67 5.86,68 0.18,69 0.711,70 15.434,71 5.541,72 24.866,73 7.744,74 0.181,75 0.746,76 17.787,77 6.405,78 25.126,79 9.528,80 0.132,81 0.605,82 14.985,83 5.128,84 25.308,85 7.495,86 0.285,87 0.447,88 12.911,89 3.726,90 26.759,91 5.451,92 0.087,93 0.317,94 8.162,95 2.539,96 15.891,97 3.843,98 0.175,99 0.243,100 7.644,101 2.171,102 35.973,103 3.078,104 31,105 20,106 0.283,107 0.547,108 0.663,109 0.715,110 0.715,111 0.715,112 2.732,113 1.004,114 0.08,115 -0.08,116 -0.28,121 36.7,122 1,126 3,144 4,146 2,160 1,176 2,179 1,180 4,187 3,189 2,192 1,200 1,203 1,206 3,208 1,214 2,216 1,219 1,227 1,232 1,234 1,239 1,241 1,281 156,282 8.472,283 8.472,284 8.472,285 8.472,286 8.472,287 7.579,288 11.912,289 4.968,290 8.698,291 6.924,292 6.924,293 6.924,294 6.924,295 6.924,296 5.577,297 17.255,298 2.372,299 7.311,300 3.468,301 2.126,302 1.535,303 1.268,304 1.268,305 1.268,306 3.333,311 1,312 1,313 154,314 3.317,318 47.752,325 0.959,326 10.884,329 1,330 0.83,331 0.83,332 0.9,333 1,334 1,335 1,336 0.94,337 30.5,338 81,339 4.453,340 3.679,341 7.116,342 4.24,343 3.32,344 3.868,345 2.443,346 11.69,347 3.058,348 3.855,349 3.63,350 5.464,351 3.496,352 2.561,353 3.137,354 1.2,355 7.345,356 2.38,357 3.409,358 2.648,359 4.64,360 2.999,361 2,362 2.592,363 0.286,364 5.001,365 1.975,366 2.87,367 1.743,368 4.288,369 2.455,370 1.479,371 1.983,373 4.023,374 1.434,375 2.57,376 1.157,377 3.483,378 2.103,379 1.111,380 1.6,382 2.531,383 1.101,384 1.182,385 0.746,386 2.746,387 0.783,388 -0.152,389 -0.185,391 -0.388,392 -0.139,393 0.674,394 0.118,395 2.512,396 0.237,397 -0.738,398 -0.961,400 -1.963,401 -0.715,402 0.543,403 -0.554,404 2,405 0.101,406 -1,407 -1,409 -2,410 -0.9,411 0.259,412 -0.6,413 2,414 -0.034,415 -1,416 -1,418 -2.703,419 -0.9,421 -0.6,422 1.699,423 -0.1,424 -1,425 -1.228,426 -0.4,427 -3,428 -0.958,430 -0.704,431 1.557,432 -0.1,433 -1,434 -1.541,435 -0.4,436 -3,437 -1.1,438 -0.5,439 -1.271,440 1.04,441 -0.783,442 -1.692,443 -1.991,444 -0.4,445 -5.109,446 -1.515,447 -0.575,448 -1.592,449 1,450 -0.998,451 -1.889,452 -2.275,453 -0.998,454 -5.452,455 -1.721,456 -0.741,457 -2,458 0.454,459 -1,460 -2,461 -3,462 -1.731,463 -6.976,464 -2,474 6.567,475 0.469,476 0.607,477 0.043,478 16.75,479 1.196,480 8,481 0.571,482 8.75,483 0.625,484 9.285,485 0.663,486 16.533,487 0.551,488 11.26,489 0.804,490 3.609,491 0.258,492 2.784,493 0.199,494 0.355,495 0.061,496 0.228,501 0.787,502 1.75,503 0.918,504 1.434,505 0.638,506 1.226,507 0.898,508 0.767,509 0.774,510 0.678,511 0.381,512 0.665,513 1.37,514 1.29,515 1.383,516 1.307,517 1.159,518 1.347,519 0.422,520 0.935,521 0.765,522 0.976,523 0.422,524 0.936,525 0.879,526 1.118,527 0.965,528 1.151,529 0.916,530 1.087,531 1.628,532 0.868,533 1.242,534 0.893,535 1.162,536 1.006,537 0.927,538 0.922,539 0.925,540 0.981,541 1.247,542 0.945,543 2.302,544 1.171,545 1.928,546 1.313,547 4.153,548 1.552,549 5,551 1.556,552 1.125,553 0.72,554 0.472,555 0.325,559 1068,560 2714,561 1.79,562 53.3,564 13,568 3,572 1.51,573 1.6,574 2.613,575 -0.766,582 43.153,583 1.438,584 2.781,585 3.372,586 3.639,587 3.639,588 3.639,589 1.924,590 2.503,591 3.78,592 2.705,593 246.197,594 6.308,595 1949.26,597 1,600 147.207,601 1.809,602 3.655,603 0.357,605 0.078,606 0.066,607 0.048,608 0.039,609 0.046,613 0.635,614 1,615 1,616 1.475,617 52.758,618 0.011,619 -0.454,620 0.052,621 -0.247,622 -0.081,623 -0.118,624 0.136,625 0.391,626 0.24,627 0.3,628 0.28,629 0.307,630 -0.252,631 -0.179,632 -0.396,633 -0.222,634 -0.225,635 -0.321,636 0.145,637 -0.007,638 0.136,639 0.002,640 0.092,641 0.057,642 -0.009,643 -0.185,644 -0.021,645 -0.175,646 -0.004,647 -0.109,648 -0.164,649 -0.015,650 -0.213,651 -0.01,652 -0.151,653 -0.115,654 -0.024,655 0.001,656 0.032,657 -0.071,658 0.148,659 -0.009,660 -0.534,661 -0.349,662 -0.877,663 -0.432,664 -0.843,665 -0.686,666 1.955,667 3.747,668 0.429,669 7.592,670 0.996,671 1.134,672 -1.306,673 1.706,674 0.621,675 2.708,676 3.045,677 3.045,678 3.178,679 3.296,680 3.135,681 3.135,682 2.303,683 1.946,685 3.827,686 0.58,687 194.28,688 2.708,689 4.234,690 5.004,691 5.878,692 6.681,693 7.551,694 8.369,695 9.235,696 10.062,697 10.924,698 3.3,712 1,715 4,720 2,722 6,741 30,743 7,744 1,745 14,747 30,748 11,749 6,750 2,751 4,756 1,757 1,763 1,772 7,773 4,777 1,782 1,786 1,790 1,793 16,794 2,796 3,802 1,803 1,807 1,808 1,809 2,829 1,846 1,859 1,864 4,868 14,878 1,883 1,893 6.7,896 1,898 1,901 8.75,902 6.667,903 3,904 1.743,907 1.316,908 1.254,909 0.862,910 3.04,911 6.492,912 2.944,913 3.481,914 3.812,915 4.306,916 4.756,917 4.707,918 4.888,919 4.343,920 3.841,922 0.75,923 17,924 5.134,925 0.002,926 1.985,927 0.026,929 7.857,931 9.71,932 0.001,933 7.224,934 0.001,936 2.357,937 33,938 0.005,941 188.338,942 87.111,945 36.145,948 87.111,949 224.482,951 34.014,953 37.905,954 32.336,955 19,957 188.338,959 188.338,960 87.111,961 36.145,964 188.338,965 36.145,968 8.825,969 78.286,972 188.338,973 36.145,974 87.111,977 188.338,978 15.192,979 71.919,981 36.145,982 188.338,983 36.145,984 87.111,986 0.595,987 0.284,988 0.136,989 0.077,990 9,991 5,992 0.1,993 3,995 1,996 2.46,997 80.559,999 6,1000 48.548,1005 10.896,1006 3.906,1007 3.245,1009 36.145,1010 7.548,1015 1.701,1018 311.593,1019 18,1024 10.747,1028 -0.288,1031 29.883,1032 34.031,1034 0.293,1035 0.567,1036 0.687,1037 0.742,1038 0.742,1039 0.742,1040 4.182,1041 -1,1042 5.094,1043 -1.963,1044 3.714,1045 4.159,1046 2.562,1047 5.932,1048 3.603,1049 5.43,1050 -1,1051 6.696,1052 -2,1053 3.761,1054 4.159,1055 2.394,1056 7.298,1057 3.54,1058 6.762,1059 -1,1060 8.423,1061 -2.703,1062 5.434,1063 6.26,1064 3.886,1065 10.192,1066 5.167,1067 8.124,1068 -1,1069 10.225,1070 -3,1071 6.176,1072 6.887,1073 4.303,1074 12.294,1075 5.78,1076 9.511,1077 -1.692,1078 12.074,1079 -3,1080 7.515,1081 8.637,1082 5.499,1083 14.877,1084 7.07,1085 10.917,1086 -1.889,1087 13.956,1088 -5.109,1089 8.528,1090 9.563,1091 6.166,1092 17.218,1093 7.962,1094 12.338,1095 -2,1096 15.86,1097 -5.452,1098 9.763,1099 11.148,1100 7.211,1101 19.714,1102 9.137,1103 3.32,1105 17.78,1106 -6.976,1107 10.884,1108 12.242,1109 7.994,1110 22.133,1111 10.151,1112 2.561,1113 11.69,1114 19.712,1116 12.087,1117 13.734,1118 8.964,1119 24.603,1120 11.285,1121 2,1122 7.345,1123 21.652,1124 3.868,1125 13.252,1126 14.928,1127 9.802,1128 27.048,1129 12.354,1130 1.479,1131 5.001,1132 23.598,1133 3.137,1134 14.448,1135 16.364,1136 10.734,1137 29.511,1138 13.473,1139 1.111,1140 4.023,1141 25.548,1142 2.592,1143 15.631,1144 17.62,1145 11.6,1146 31.964,1147 14.567,1148 -0.152,1149 2.531,1150 27.501,1151 1.983,1152 16.827,1153 19.022,1154 12.512,1155 34.424,1156 15.683,1157 -0.738,1158 -0.388,1159 29.456,1160 1.6,1161 18.018,1162 20.316,1163 13.391,1164 36.881,1165 16.789,1166 1230,1167 2046,1168 8.148,1169 18.625,1170 21.458,1171 21.719,1172 21.412,1173 21.017,1174 20.942,1175 26.362,1176 7.858,1177 61.181,1178 19.897,1179 5.194,1180 5.679,1181 6.662,1182 5.24,1183 5.32,1184 6.868,1185 4.174,1186 18.666,1187 5.058,1188 9.146,1189 1.533,1190 1.551,1191 1.529,1192 1.501,1193 1.496,1194 1.883,1195 0.561,1196 4.37,1197 1.421,1198 3.983,1199 4.028,1200 3.918,1201 3.866,1202 7.434,1203 3.873,1204 3.626,1205 3.686,1206 3.513,1207 3.393,1208 4.826,1209 3.408,1210 3.463,1211 3.501,1212 3.343,1213 3.237,1214 4.362,1215 3.256,1216 2.874,1217 3.009,1218 2.713,1219 2.714,1220 4.126,1221 2.705,1222 2.874,1223 3.009,1224 2.556,1225 2.618,1226 3.656,1227 2.577,1228 2.861,1229 2.917,1230 2.499,1231 2.618,1232 3.492,1233 2.57,1234 2.723,1235 2.791,1236 2.499,1237 2.594,1238 3.467,1239 2.57,1240 2.46,1241 2.508,1242 2.214,1243 2.06,1244 3.467,1245 2.099,1246 0.318,1247 0.263,1248 0.508,1249 0.303,1250 0.237,1251 4.453,1252 0.276,1253 3.679,1254 0.174,1255 7.116,1256 0.835,1257 4.24,1258 0.218,1259 3.32,1260 3.868,1261 2.443,1262 11.69,1263 3.058,1264 1.93,1265 1.896,1266 2.061,1267 2.088,1268 1.229,1269 2.084,1270 1.573,1271 1.498,1272 1.816,1273 1.81,1274 0.902,1275 1.81,1276 1.396,1277 1.351,1278 1.679,1279 1.646,1280 0.692,1281 1.654,1282 0.934,1283 0.804,1284 1.417,1285 1.239,1286 0.469,1287 1.308,1288 0.934,1289 0.804,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.855,1295 0.801,1296 1.121,1297 1.066,1298 0.177,1299 1.081,1300 0.739,1301 0.68,1302 1.012,1303 0.932,1304 0.102,1305 0.964,1306 0.309,1307 0.267,1308 0.55,1309 0.734,1311 0.697,1312 3.367,1314 4.691,1316 6.184,1318 7.755,1320 9.368,1322 7.589,1330 5.001,1335 0.703,1340 17.402,1341 43.153,1342 83.432,1343 101.168,1344 109.168,1345 109.168,1346 109.168,1347 21.421,1348 5.176,1349 26.3,1350 26.3,1351 6,1352 11.48,1353 3,1354 2.322,1355 27.843,1356 33,1357 26,1358 0.467,1359 113.434,1360 194.94,1361 268.538,1362 748,1364 10.768,1365 0.769,1366 0.652,1367 10.768,1368 9.126,1369 6.393,1370 0.457,1371 0.335,1372 4.583,1373 6.041,1374 4.301,1375 3.712,1376 6.393,1377 4.684,1378 6.725,1379 0.336,1380 0.219,1381 6.725,1382 4.371,1383 3.812,1384 0.191,1385 0.098,1386 3.812,1387 1.962,1388 2.958,1389 0.129,1390 0.052,1391 2.958,1392 1.192,1393 2.218,1394 0.085,1395 0.029,1396 2.218,1397 0.753,1398 0.692,1399 40.645,1400 0.35,1401 14.043,1402 1.384,1403 68,1404 201.804,1405 76.641,1406 190.765,1407 252.04,1408 176,1409 74,1410 182.881,1411 81.982,1412 184.349,1413 259.12,1414 170,1415 5.521}
{0 CHEMBL343673,1 1.392,2 10.591,3 4.637,4 21.497,5 90.228,6 6.301,7 0.273,8 3.901,9 4.039,10 3.303,11 3.368,12 4.95,13 3.316,14 4.45,15 4.679,16 3.579,17 3.693,18 5.414,19 3.611,20 4.656,21 4.88,22 3.644,23 3.875,24 5.585,25 3.765,26 4.857,27 5.12,28 3.602,29 3.917,30 5.787,31 3.778,32 4.781,33 5.046,34 3.549,35 3.863,36 5.752,37 3.724,38 4.643,39 4.884,40 3.447,41 3.789,42 5.63,43 3.645,44 4.59,45 4.86,46 3.298,47 3.699,48 5.457,49 3.538,50 4.429,51 4.675,52 3.15,53 3.547,54 5.384,55 3.381,56 0.038,57 0.645,58 11.364,59 4.398,60 10.26,61 6.382,62 0.387,63 0.976,64 20.259,65 6.444,66 29.67,67 9.918,68 0.189,69 1.157,70 24.436,71 8.665,72 26.687,73 12.709,74 0.349,75 1.251,76 30.046,77 10.014,78 53.207,79 14.651,80 0.307,81 1.179,82 27.725,83 9.378,84 53.756,85 13.777,86 0.295,87 1.065,88 24.143,89 8.59,90 46.096,91 12.415,92 0.23,93 0.986,94 22.631,95 8.054,96 35.802,97 11.8,98 0.262,99 0.849,100 19.42,101 6.982,102 33.648,103 10.049,104 57,105 28,106 0.242,107 0.564,108 0.8,109 0.873,110 0.873,111 0.873,112 3.145,113 1.041,114 -4.25,115 -4.19,116 -3.96,121 37.5,122 2,123 2,126 2,127 2,129 1,142 1,143 1,144 4,145 1,146 1,161 1,176 7,179 3,180 6,187 7,192 5,200 4,206 10,214 5,219 7,227 4,231 1,232 6,239 6,251 7,255 2,256 3,264 6,269 1,277 3,281 664,282 14.43,283 14.43,284 14.43,285 14.43,286 14.43,287 13.369,288 19.232,289 8.867,290 14.769,291 10.749,292 10.749,293 10.749,294 10.749,295 10.749,296 9.08,297 21.568,298 4.036,299 11.269,300 4.193,301 2.338,302 0.98,303 0.563,304 0.563,305 0.563,306 3.782,311 1,312 1,313 450,314 4.359,318 85.93,325 1.719,326 17.213,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 47,338 233,339 4.129,340 3.774,341 5.952,342 3.799,343 2.844,344 3.692,345 2.208,346 8.419,347 2.728,348 3.88,349 3.127,350 5.907,351 3.666,352 2.733,353 3.072,354 1.053,355 8.112,356 2.53,357 3.718,358 2.831,359 5.511,360 3.457,361 2.501,362 2.76,363 0.655,364 7.251,365 2.378,366 3.421,367 2.425,368 4.959,369 2.957,370 2.006,371 2.471,372 0.249,373 5.797,374 1.9,375 3.223,376 2.18,377 3.983,378 2.45,379 1.475,380 1.894,381 0.13,382 3.381,383 1.43,384 2.703,385 2.049,386 3.883,387 2.354,388 1.366,389 1.744,391 3.103,392 1.342,393 2.597,394 1.314,395 3.481,396 2.167,397 1.172,398 1.559,400 2.554,401 1.165,402 2.175,403 1.039,404 2.951,405 1.724,406 0.755,407 0.959,409 1.271,410 0.728,411 1.846,412 1.026,413 2.885,414 1.713,415 0.742,416 0.793,418 1.247,419 0.714,420 1.188,421 0.663,422 2.341,423 0.789,424 -0.196,425 -0.243,427 -0.467,428 -0.19,429 1.027,430 0.003,431 2.313,432 0.715,433 -0.257,434 -0.309,436 -0.657,437 -0.249,438 0.839,439 -0.303,440 1.769,441 0.369,442 -0.592,443 -0.602,445 -0.908,446 -0.564,447 0.492,448 -0.328,449 1.732,450 0.365,451 -0.594,452 -0.826,454 -0.928,455 -0.567,456 0.414,457 -0.413,458 1.482,460 -1,461 -1.217,463 -2.388,464 -0.983,465 0.303,466 -0.941,467 1.421,468 -0.001,469 -1,470 -1.392,472 -2.687,473 -1,474 10.467,475 0.476,476 0.527,477 0.024,478 23.25,479 1.057,480 10,481 0.455,482 13.25,483 0.602,484 19.739,485 0.897,486 25.533,487 0.532,488 17.298,489 0.786,490 4.718,491 0.214,492 5.755,493 0.262,494 0.271,496 0.268,501 0.793,502 1.642,503 0.972,504 1.384,505 0.659,506 1.224,507 0.801,508 0.941,509 0.936,510 0.878,511 0.463,512 0.896,513 1.064,514 1.215,515 1.078,516 1.203,517 0.749,518 1.144,519 1.435,520 0.952,521 1.032,522 0.943,523 1.306,524 0.946,525 1.307,526 0.943,527 0.995,528 0.927,529 1.36,530 0.928,531 1.22,532 1.084,533 1.133,534 1.108,535 1.428,536 1.119,537 1.078,538 0.939,539 1.02,540 0.974,541 0.989,542 0.991,543 1.092,544 1.111,545 1.187,546 1.198,547 1.004,548 1.216,549 5,550 0.083,551 2.444,552 1.5,553 1.022,554 0.514,555 0.408,556 0.267,557 0.214,558 0.151,559 4396,560 10562,561 1.849,562 54.2,563 3,564 15,565 1,569 7,572 1.644,573 1.692,574 3.396,575 -0.807,582 66.808,583 1.392,584 3.247,585 4.605,586 5.022,587 5.022,588 5.022,589 2.88,590 3.3,591 4.427,592 3.511,593 810.953,594 7.602,595 9297.2,597 1,600 268.078,601 1.539,602 4.356,603 0.227,604 0.008,605 0.087,606 0.052,607 0.038,608 0.02,609 0.018,610 0.013,611 0.013,612 0.011,613 0.487,614 0.33,615 1,616 2.286,617 103.156,618 0.031,619 -0.349,620 0.042,621 -0.185,622 -0.021,623 -0.09,624 0.296,625 0.21,626 0.096,627 0.119,628 0.181,629 0.094,630 -0.053,631 -0.125,632 -0.077,633 -0.156,634 0.009,635 -0.12,636 -0.125,637 -0.007,638 -0.019,639 0.022,640 -0.074,641 0.015,642 -0.104,643 0.014,644 0.008,645 0.046,646 -0.099,647 0.04,648 -0.058,649 -0.081,650 -0.131,651 -0.088,652 -0.174,653 -0.119,654 -0.094,655 0.026,656 -0.046,657 0.016,658 -0.078,659 -0.005,660 0.015,661 -0.115,662 -0.195,663 -0.187,664 -0.048,665 -0.221,666 1.989,667 4.903,668 0.273,669 20.198,670 0.989,671 1.133,672 3.019,673 9.113,674 0.626,675 3.135,676 3.367,677 3.497,678 3.584,679 3.664,680 3.611,681 3.664,682 3.689,683 3.611,684 3.367,685 6.125,686 0.579,687 302.46,688 3.135,689 4.615,690 5.398,691 6.221,692 7.026,693 7.854,694 8.667,695 9.498,696 10.316,697 11.148,698 4.2,701 1,705 1,715 4,720 2,722 6,737 1,741 48,743 8,744 1,745 22,747 48,748 18,749 6,750 2,751 4,756 1,757 1,763 2,770 3,771 2,772 7,773 9,777 1,782 1,786 1,790 1,793 26,794 4,796 4,802 2,808 1,809 2,829 1,836 1,837 1,855 1,859 1,864 4,868 22,876 4,878 1,880 1,881 2,885 1,886 1,891 1,893 4.2,896 1,898 1,901 13,902 9.733,903 5.222,904 2.981,907 1.384,908 1.23,909 0.888,910 7.835,911 7.407,912 3.367,913 3.75,914 4.082,915 4.479,916 4.87,917 4.882,918 5.078,919 5.329,920 5.25,921 5.087,922 1,923 29,924 8.113,926 3.118,927 0.026,929 7.742,931 15.572,933 11.655,936 2.242,937 49.333,940 1,941 306.049,942 137.172,943 6.249,945 36.145,948 137.172,949 342.193,950 6.249,951 34.443,952 12.405,953 37.905,954 25.145,955 22.553,956 58.885,957 294.278,959 306.049,960 143.421,961 36.145,964 223.651,965 118.543,968 33.18,969 93.21,970 17.031,972 306.049,973 42.393,974 137.172,977 306.049,978 24.472,979 78.597,980 17.031,981 59.466,982 306.049,983 42.393,984 137.172,986 0.556,987 0.316,988 0.153,989 0.076,990 9,991 6,992 0.167,993 8,995 1,996 3.34,997 147.66,999 6,1000 98.107,1005 18.387,1006 9.374,1007 6.335,1009 42.393,1010 7.661,1015 1.706,1018 485.614,1019 28,1024 11.903,1028 -0.323,1031 47.461,1032 54.398,1034 0.249,1035 0.581,1036 0.825,1037 0.899,1038 0.899,1039 0.899,1040 4.58,1041 0.755,1042 5.361,1043 2.554,1044 4.043,1045 4.431,1046 2.511,1047 6.075,1048 3.95,1049 5.737,1050 0.742,1051 6.876,1052 1.271,1053 3.611,1054 4.06,1055 1.905,1056 6.804,1057 3.438,1058 6.996,1059 -0.196,1060 8.49,1061 1.247,1062 5.549,1063 6.355,1064 3.582,1065 9.812,1066 5.346,1067 8.28,1068 -0.257,1069 10.156,1070 -0.467,1071 5.889,1072 6.727,1073 3.673,1074 11.276,1075 5.598,1076 9.588,1077 -0.592,1078 11.854,1079 -0.657,1080 7.315,1081 8.564,1082 4.969,1083 13.788,1084 7,1085 10.911,1086 -0.594,1087 13.572,1088 -0.908,1089 8.005,1090 9.298,1091 5.375,1092 15.566,1093 7.608,1094 12.247,1095 -1,1096 15.303,1097 -0.928,1098 9.212,1099 10.928,1100 6.461,1101 17.872,1102 8.788,1103 2.844,1104 -1,1105 17.042,1106 -2.388,1107 10.07,1108 11.864,1109 7.029,1110 19.805,1111 9.571,1112 2.733,1113 8.419,1114 18.789,1115 -2.687,1116 11.177,1117 13.38,1118 7.995,1119 22.014,1120 10.647,1121 2.501,1122 8.112,1123 20.541,1124 3.692,1125 12.117,1126 14.441,1127 8.655,1128 24.028,1129 11.52,1130 2.006,1131 7.251,1132 22.296,1133 3.072,1134 13.178,1135 15.888,1136 9.55,1137 26.189,1138 12.546,1139 1.475,1140 5.797,1141 24.055,1142 2.76,1143 14.16,1144 17.029,1145 10.263,1146 28.247,1147 13.467,1148 1.366,1149 3.381,1150 25.816,1151 2.471,1152 15.201,1153 18.43,1154 11.116,1155 30.384,1156 14.47,1157 1.172,1158 3.103,1159 27.579,1160 1.894,1161 16.204,1162 19.626,1163 11.862,1164 32.468,1165 15.419,1166 4762,1167 7482,1168 13.523,1169 30.057,1170 32.476,1171 32.963,1172 33.205,1173 31.229,1174 31.187,1175 37.891,1176 8.59,1177 82.272,1178 29.829,1179 5.019,1180 5.774,1181 5.722,1182 4.865,1183 4.844,1184 6.692,1185 3.912,1186 14.573,1187 4.728,1188 14.55,1189 1.476,1190 1.498,1191 1.509,1192 1.42,1193 1.418,1194 1.722,1195 0.39,1196 3.74,1197 1.356,1198 3.957,1199 3.988,1200 3.891,1201 3.875,1202 7.433,1203 3.874,1204 3.726,1205 3.791,1206 3.621,1207 3.547,1208 5.43,1209 3.551,1210 3.69,1211 3.756,1212 3.572,1213 3.509,1214 4.812,1215 3.511,1216 3.399,1217 3.457,1218 3.263,1219 3.284,1220 4.313,1221 3.27,1222 3.354,1223 3.423,1224 3.198,1225 3.12,1226 4.253,1227 3.135,1228 3.101,1229 3.197,1230 2.897,1231 2.903,1232 4.103,1233 2.887,1234 3.028,1235 3.083,1236 2.827,1237 2.797,1238 3.874,1239 2.788,1240 2.942,1241 3.021,1242 2.716,1243 2.767,1244 3.81,1245 2.752,1246 0.188,1247 0.172,1248 0.271,1249 0.173,1250 0.129,1251 4.129,1252 0.168,1253 3.774,1254 0.1,1255 5.952,1256 0.383,1257 3.799,1258 0.124,1259 2.844,1260 3.692,1261 2.208,1262 8.419,1263 2.728,1264 1.925,1265 1.899,1266 2.054,1267 2.033,1268 1.289,1269 2.04,1270 1.684,1271 1.621,1272 1.937,1273 1.91,1274 1.18,1275 1.915,1276 1.659,1277 1.59,1278 1.874,1279 1.85,1280 1.005,1281 1.864,1282 1.406,1283 1.354,1284 1.658,1285 1.607,1286 0.754,1287 1.624,1288 1.32,1289 1.245,1290 1.644,1291 1.555,1292 0.714,1293 1.593,1294 1.123,1295 1.026,1296 1.489,1297 1.363,1298 0.497,1299 1.411,1300 1.003,1301 0.925,1302 1.355,1303 1.265,1304 0.494,1305 1.281,1306 0.925,1307 0.876,1308 1.29,1309 1.192,1310 0.423,1311 1.213,1312 3.807,1314 5.056,1316 6.488,1318 8,1320 9.553,1322 7.907,1328 3.073,1330 5.4,1332 0.324,1333 3.698,1337 5.339,1339 2.647,1340 27.794,1341 66.808,1342 155.84,1343 221.059,1344 241.059,1345 241.059,1346 241.059,1347 54.833,1348 6.023,1349 32.78,1350 32.78,1351 6,1352 11.723,1353 3.17,1354 2.807,1355 58.072,1356 81,1357 80,1358 0.36,1359 180.056,1360 320.44,1361 431.096,1362 2606,1364 16.535,1365 0.752,1366 0.637,1367 16.535,1368 14.003,1369 10.473,1370 0.476,1371 0.347,1372 7.522,1373 10.066,1374 7.15,1375 6.125,1376 10.473,1377 7.631,1378 8.857,1379 0.316,1380 0.2,1381 8.857,1382 5.609,1383 6.732,1384 0.21,1385 0.112,1386 6.732,1387 3.599,1388 4.826,1389 0.138,1390 0.061,1391 4.826,1392 2.138,1393 3.31,1394 0.087,1395 0.031,1396 3.31,1397 1.173,1398 0.569,1399 65.549,1400 0.272,1401 22.056,1402 0.968,1403 100,1404 290.761,1405 110.916,1406 280.658,1407 370.56,1408 260,1409 110,1410 261.487,1411 120.643,1412 268.214,1413 380.07,1414 246,1415 4.48}
{0 CHEMBL344656,1 1.59,2 14.474,3 4.251,4 18.068,5 146.463,6 7.489,7 0.372,8 4.362,9 4.482,10 3.976,11 3.936,12 5.383,13 3.892,14 4.965,15 5.142,16 4.43,17 4.389,18 5.941,19 4.323,20 5.272,21 5.489,22 4.495,23 4.541,24 6.244,25 4.448,26 5.346,27 5.559,28 4.537,29 4.533,30 6.451,31 4.446,32 5.32,33 5.535,34 4.438,35 4.492,36 6.472,37 4.398,38 5.279,39 5.504,40 4.356,41 4.508,42 6.295,43 4.402,44 5.306,45 5.529,46 4.362,47 4.509,48 6.311,49 4.401,50 5.328,51 5.587,52 4.232,53 4.396,54 6.342,55 4.269,56 0.014,57 1.085,58 15.331,59 6.818,60 8.67,61 8.899,62 0.404,63 1.893,64 31.964,65 11.764,66 33.404,67 16.192,68 0.436,69 2.368,70 46.036,71 16.201,72 55.836,73 21.729,74 0.68,75 2.431,76 53.963,77 17.048,78 103.259,79 21.766,80 0.95,81 2.353,82 53.619,83 16.486,84 133.875,85 21.123,86 0.586,87 2.284,88 49.327,89 16.876,90 98.565,91 22.312,92 0.487,93 2.313,94 46.627,95 16.71,96 80.041,97 22.885,98 0.647,99 2.24,100 51.739,101 16.874,102 92.886,103 23.151,104 38,105 64,106 0.247,107 0.556,108 0.747,109 0.835,110 0.866,111 0.866,112 3.668,113 0.999,114 -4.63,115 -4.55,116 -4.28,121 40.8,122 3,123 3,124 2,127 2,129 3,144 8,145 1,146 1,148 1,154 1,160 2,161 1,164 1,176 12,179 4,180 10,183 2,185 2,187 12,191 3,192 7,197 2,200 12,205 2,206 17,211 3,214 8,218 4,219 11,222 2,224 1,227 3,231 2,232 6,237 2,239 11,243 2,244 15,249 2,251 11,255 2,256 14,259 1,261 1,264 5,268 1,269 5,272 1,277 7,281 2838,282 25.637,283 25.637,284 25.637,285 25.637,286 25.637,287 23.484,288 34.468,289 14.586,290 26.159,291 21.164,292 21.164,293 21.164,294 21.164,295 21.164,296 17.699,297 46.736,298 6.857,299 22.06,300 4.559,301 2.568,302 1.335,303 0.768,304 0.567,305 0.567,306 4.377,312 1,313 1227,314 4.062,317 351.366,318 229.581,320 137.561,321 149.901,325 2.341,326 44.042,329 0.75,330 0.67,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.75,337 81.5,338 550,339 4.583,340 4.018,341 7.22,342 4.406,343 3.451,344 4.417,345 1.993,346 12.716,347 3.301,348 4.393,349 3.88,350 6.74,351 4.078,352 3.127,353 3.696,354 1.94,355 10.908,356 2.979,357 4.222,358 3.617,359 6.392,360 3.88,361 2.956,362 3.618,363 1.695,364 9.802,365 2.775,366 4.101,367 3.03,368 6.143,369 3.781,370 2.788,371 3.377,372 0.664,373 8.912,374 2.719,375 3.841,376 2.994,377 5.931,378 3.582,379 2.622,380 3.055,381 0.555,382 8.236,383 2.51,384 3.591,385 2.92,386 5.738,387 3.337,388 2.373,389 2.823,390 0.485,391 7.431,392 2.282,393 3.452,394 2.584,395 5.552,396 3.151,397 2.185,398 2.696,399 0.08,400 6.876,401 2.095,402 3.29,403 2.485,404 5.31,405 3.037,406 2.034,407 2.359,409 6.389,410 2.02,411 3.032,412 2.381,413 4.95,414 2.685,415 1.711,416 2.298,418 5.12,419 1.658,420 2.964,421 1.783,422 4.66,423 2.505,424 1.532,425 2.096,427 4.312,428 1.489,429 2.859,430 1.742,431 4.414,432 2.456,433 1.519,434 1.878,436 4.179,437 1.395,438 2.611,439 1.532,440 4.029,441 2.242,442 1.273,443 1.603,445 3.092,446 1.235,447 2.5,448 1.371,449 3.762,450 2.227,451 1.24,452 1.5,454 2.916,455 1.205,456 2.451,457 1.314,458 3.652,459 2.129,460 1.146,461 1.44,463 2.844,464 1.12,465 2.265,466 1.277,467 3.557,468 2,469 1,470 1.207,472 2.275,473 1,474 18.333,475 0.482,476 1.101,477 0.029,478 45,479 1.184,480 19.5,481 0.513,482 25.5,483 0.671,484 42.856,485 1.128,486 41.067,487 0.578,488 36.187,489 0.952,490 7.884,491 0.207,492 10.446,493 0.275,494 0.136,496 0.42,501 0.668,502 1.377,503 0.756,504 1.042,505 0.516,506 0.976,507 0.542,508 1.139,509 0.78,510 0.965,511 0.483,512 0.935,513 0.982,514 1.072,515 0.919,516 0.975,517 0.881,518 0.974,519 1.518,520 1.099,521 1.108,522 1.027,523 1.613,524 0.968,525 1.529,526 0.962,527 1.23,528 1.005,529 1.62,530 0.981,531 1.094,532 0.982,533 1.079,534 1.007,535 1.02,536 0.973,537 1.015,538 1.118,539 0.906,540 1.051,541 1.044,542 1.107,543 1.213,544 0.942,545 0.904,546 0.916,547 1.299,548 0.956,549 7,550 0.322,551 5.111,552 3.639,553 2.724,554 1.594,555 1.037,556 0.864,557 0.532,558 0.355,559 24025,560 56201,561 2.126,562 46.5,563 10,564 15,567 1,568 1,569 4,570 2,572 1.787,573 1.966,574 3.789,575 -0.374,582 112.921,583 1.59,584 3.582,585 4.815,586 5.382,587 5.583,588 5.583,589 3.281,590 4.774,591 5.214,592 3.975,593 2794.7,594 9.186,595 45673.7,600 436.632,601 1.471,602 5.17,603 0.163,604 0.008,605 0.08,606 0.055,607 0.042,608 0.027,609 0.017,610 0.015,611 0.011,612 0.008,613 0.426,614 0.17,615 0.75,616 0.697,617 210.678,618 -0.013,619 -0.189,620 0.078,621 -0.017,622 -0.016,623 0.013,624 0.241,625 -0.001,626 0.134,627 0.026,628 0.073,629 0.036,630 -0.004,631 -0.021,632 0.034,633 -0.012,634 -0.02,635 -0.011,636 -0.108,637 -0.068,638 -0.02,639 -0.028,640 -0.118,641 -0.026,642 -0.045,643 0.069,644 -0.127,645 -0.008,646 -0.037,647 -0.046,648 -0.039,649 0.026,650 -0.077,651 -0.014,652 0.038,653 0.004,654 -0.004,655 -0.134,656 -0.053,657 -0.141,658 -0.017,659 -0.14,660 -0.026,661 -0.015,662 0.034,663 -0.008,664 -0.045,665 0.006,666 1.916,667 6.875,668 0.737,669 47.529,670 0.999,671 1.125,672 3.397,673 11.539,674 0.672,675 3.784,676 4.174,677 4.533,678 4.86,679 5.063,680 5.242,681 5.442,682 5.609,683 5.74,684 5.889,685 8.274,686 0.631,687 531.74,688 3.784,689 5.371,690 6.267,691 7.185,692 8.098,693 9.022,694 9.944,695 10.873,696 11.801,697 12.734,698 7,705 4,708 1,714 2,715 8,716 1,719 1,720 3,722 16,741 71,743 19,744 2,745 43,747 76,748 29,749 13,750 4,751 8,756 6,757 8,761 1,763 3,767 6,768 1,770 6,772 16,773 13,774 2,777 3,782 3,786 3,793 33,794 8,795 1,796 9,797 1,802 5,808 0.667,809 3,825 2,828 4,829 2,831 1,832 1,844 2,859 4,862 1,864 3,868 38,876 5,877 1,880 5,881 3,887 1,893 4.2,896 3,901 19.333,902 13.55,903 8.111,904 4.707,907 2.834,908 1.31,909 0.988,910 6.835,911 11.963,912 4.007,913 4.582,914 5.142,915 5.688,916 6.131,917 6.404,918 6.78,919 7.108,920 7.179,921 7.504,922 0.9,923 66,924 14.297,926 6.448,927 0.026,929 7.706,931 27.591,933 24.23,936 2.206,937 83.833,941 376.675,942 168.396,943 44.169,945 75.435,947 31.278,948 137.119,949 452.11,950 44.169,951 26.476,952 39.199,953 75.81,954 101.63,955 8.587,956 5.022,957 407.953,959 376.675,960 181.288,961 75.435,962 31.278,964 306.049,965 146.061,968 68.319,969 96.183,970 16.786,971 31.278,972 376.675,973 119.604,974 168.396,977 376.675,978 66.111,979 111.659,980 18.011,981 92.22,982 376.675,983 119.604,984 168.396,986 0.598,987 0.368,988 0.202,989 0.103,990 34,991 16,992 0.053,993 4,994 2,995 1.143,996 4.723,997 398.928,998 0.143,999 28,1000 193.421,1001 1,1005 25.607,1006 10.143,1007 4.503,1008 1.928,1009 119.604,1010 15.757,1011 4.736,1014 1.521,1015 2.636,1017 18.011,1018 664.676,1019 54,1024 40.487,1028 -0.283,1031 70.938,1032 79.853,1034 0.259,1035 0.582,1036 0.783,1037 0.875,1038 0.908,1039 0.908,1040 5.303,1041 2.034,1042 6.286,1043 6.876,1044 4.86,1045 5.27,1046 3.014,1047 7.18,1048 4.779,1049 6.503,1050 1.711,1051 7.9,1052 6.389,1053 4.575,1054 5.112,1055 2.509,1056 8.233,1057 4.449,1058 7.82,1059 1.532,1060 9.614,1061 5.12,1062 6.535,1063 7.389,1064 3.947,1065 11.397,1066 6.363,1067 9.169,1068 1.519,1069 11.387,1070 4.312,1071 7.091,1072 8.055,1073 4.053,1074 13.298,1075 6.868,1076 10.552,1077 1.273,1078 13.198,1079 4.179,1080 8.534,1081 9.841,1082 5.098,1083 15.999,1084 8.268,1085 11.958,1086 1.24,1087 15.035,1088 3.092,1089 9.449,1090 10.889,1091 5.47,1092 18.25,1093 9.131,1094 13.38,1095 1.146,1096 16.891,1097 2.916,1098 10.716,1099 12.485,1100 6.335,1101 20.811,1102 10.355,1103 3.451,1104 1,1105 18.763,1106 2.844,1107 11.788,1108 13.73,1109 6.843,1110 23.213,1111 11.377,1112 3.127,1113 12.716,1114 20.647,1115 2.275,1116 12.998,1117 15.248,1118 7.617,1119 25.736,1120 12.543,1121 2.956,1122 10.908,1123 22.542,1124 4.417,1125 14.141,1126 16.599,1127 8.199,1128 28.205,1129 13.637,1130 2.788,1131 9.802,1132 24.446,1133 3.696,1134 15.338,1135 18.085,1136 8.925,1137 30.723,1138 14.79,1139 2.622,1140 8.912,1141 26.357,1142 3.618,1143 16.514,1144 19.493,1145 9.548,1146 33.224,1147 15.92,1148 2.373,1149 8.236,1150 28.275,1151 3.377,1152 17.713,1153 20.968,1154 10.251,1155 35.745,1156 17.075,1157 2.185,1158 7.431,1159 30.199,1160 3.055,1161 18.908,1162 22.409,1163 10.897,1164 38.262,1165 18.224,1166 22152,1167 34133,1168 28.668,1169 47.699,1170 67.217,1171 69.602,1172 69.34,1173 66.457,1174 66.488,1175 81.359,1176 14.825,1177 203.615,1178 63.966,1179 5.583,1180 6.018,1181 6.903,1182 5.551,1183 5.451,1184 7.417,1185 3.473,1186 20.601,1187 5.301,1188 20.495,1189 1.563,1190 1.619,1191 1.613,1192 1.546,1193 1.546,1194 1.892,1195 0.345,1196 4.735,1197 1.488,1198 4.103,1199 4.135,1200 4.328,1201 4.056,1202 7.434,1203 4.019,1204 3.979,1205 4.012,1206 3.945,1207 3.894,1208 7.426,1209 3.89,1210 3.937,1211 3.973,1212 3.875,1213 3.829,1214 7.423,1215 3.834,1216 3.835,1217 3.886,1218 3.745,1219 3.681,1220 4.968,1221 3.688,1222 3.532,1223 3.599,1224 3.463,1225 3.386,1226 4.752,1227 3.373,1228 3.467,1229 3.523,1230 3.39,1231 3.301,1232 4.395,1233 3.29,1234 3.321,1235 3.372,1236 3.324,1237 3.252,1238 4.269,1239 3.203,1240 3.249,1241 3.295,1242 3.147,1243 2.974,1244 4.209,1245 3.019,1246 0.107,1247 0.093,1248 0.168,1249 0.102,1250 0.08,1251 4.583,1252 0.103,1253 4.018,1254 0.046,1255 7.22,1256 0.296,1257 4.406,1258 0.077,1259 3.451,1260 4.417,1261 1.993,1262 12.716,1263 3.301,1264 1.939,1265 1.91,1266 2.069,1267 2.036,1268 1.268,1269 2.046,1270 1.898,1271 1.88,1272 1.98,1273 1.964,1274 1.252,1275 1.979,1276 1.708,1277 1.664,1278 1.889,1279 1.91,1280 1.223,1281 1.896,1282 1.615,1283 1.561,1284 1.85,1285 1.798,1286 1.132,1287 1.8,1288 1.583,1289 1.537,1290 1.814,1291 1.78,1292 1.099,1293 1.796,1294 1.568,1295 1.503,1296 1.799,1297 1.76,1298 0.986,1299 1.782,1300 1.493,1301 1.429,1302 1.689,1303 1.689,1304 0.903,1305 1.711,1306 1.333,1307 1.281,1308 1.489,1309 1.567,1310 0.757,1311 1.559,1312 4.466,1314 5.838,1315 3.714,1316 7.392,1317 6.138,1318 9.031,1319 8.289,1320 10.719,1322 6.181,1328 3.251,1329 2.976,1332 -0.717,1333 5.361,1340 44.814,1341 112.921,1342 254.328,1343 341.838,1344 382.103,1345 396.367,1346 396.367,1347 85.69,1348 9.129,1349 85.85,1350 114.09,1351 32,1352 13.235,1353 4.322,1354 3.585,1355 53.199,1356 187,1357 211,1358 0.138,1359 272.405,1360 476.88,1361 656.429,1362 145912,1364 26.551,1365 0.699,1366 0.599,1367 26.905,1368 22.779,1369 18.329,1370 0.426,1371 0.333,1372 13.42,1373 17.316,1374 12.994,1375 10.708,1376 18.738,1377 14.316,1378 17.17,1379 0.268,1380 0.186,1381 17.812,1382 11.907,1383 15.428,1384 0.168,1385 0.101,1386 16.219,1387 9.326,1388 13.378,1389 0.105,1390 0.057,1391 14.335,1392 7.303,1393 10.323,1394 0.066,1395 0.031,1396 11.183,1397 4.863,1398 0.218,1399 118.182,1400 0.187,1401 34.433,1402 0.372,1403 214,1404 562.98,1405 260.284,1406 563.776,1407 779.69,1408 528,1409 263,1410 569.934,1411 308.072,1412 588.276,1413 880.24,1414 557,1415 4}
{0 CHEMBL344736,1 1.6,2 7.188,3 2.223,4 4.943,5 61.457,6 6.947,7 0.313,8 3.546,9 3.679,10 3.033,11 2.915,12 4.767,13 2.913,14 4.036,15 4.25,16 3.262,17 3.216,18 5.037,19 3.194,20 4.165,21 4.374,22 3.291,23 3.353,24 5.21,25 3.29,26 4.302,27 4.537,28 3.226,29 3.344,30 5.335,31 3.248,32 4.219,33 4.488,34 3.083,35 3.203,36 5.287,37 3.113,38 4.133,39 4.393,40 2.901,41 3.133,42 5.197,43 3.025,44 3.871,45 4.129,46 2.73,47 3.035,48 4.861,49 2.895,50 3.814,51 4.098,52 2.355,53 2.794,54 4.878,55 2.612,56 0.087,57 0.442,58 7.379,59 2.405,60 17.015,61 3.652,62 0.274,63 0.62,64 13.157,65 3.408,66 19.77,67 5.428,68 0.211,69 0.685,70 14.7,71 4.768,72 25.442,73 6.976,74 0.384,75 0.707,76 17.519,77 4.722,78 31.219,79 7.549,80 0.296,81 0.611,82 16.351,83 4.135,84 38.652,85 6.777,86 0.444,87 0.543,88 15.407,89 4.045,90 48.536,91 6.213,92 0.112,93 0.496,94 10.893,95 3.613,96 19.742,97 5.661,98 0.141,99 0.399,100 10.668,101 3.011,102 27.834,103 4.936,104 32,105 20,106 0.306,107 0.676,108 0.852,109 0.864,110 0.875,111 0.875,112 2.851,113 0.96,114 -2.16,115 -2.21,116 -2.18,121 34.4,122 1,123 1,126 1,128 1,129 1,142 1,143 1,147 1,153 1,157 1,163 1,172 1,176 2,180 2,182 2,187 1,191 1,192 2,194 1,200 2,205 1,209 1,213 1,214 1,216 2,218 1,229 2,232 2,235 1,244 4,256 2,261 2,274 2,281 288,282 10.87,283 10.87,284 10.87,285 10.87,286 10.87,287 9.72,288 14.169,289 6.568,290 11.275,291 7.692,292 7.692,293 7.692,294 7.692,295 7.692,296 6.097,297 19.688,298 2.819,299 8.318,300 3.4,301 1.463,302 0.547,303 0.485,304 0.422,305 0.422,306 3.472,311 1,312 1,313 220,314 3.24,317 49.981,325 1.086,326 11.753,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 35.5,338 115,339 4.399,340 3.632,341 6.471,342 3.942,343 3.026,344 4.086,345 1.697,346 10.005,347 2.77,348 3.764,349 3.29,350 5.284,351 3.369,352 2.438,353 2.692,354 1.467,355 6.672,356 2.266,357 3.169,358 3.047,359 4.925,360 2.744,361 1.843,362 2.304,363 0.451,364 5.325,365 1.658,366 3.041,367 2.147,368 4.107,369 2.472,370 1.524,371 2.128,373 3.589,374 1.441,375 2.801,376 1.498,377 3.223,378 1.825,379 0.872,380 1.23,382 1.745,383 0.828,384 2.363,385 1.308,386 3.08,387 1.635,388 0.752,389 1.035,391 1.423,392 0.658,393 1.811,394 0.81,395 2.618,396 1.618,397 0.618,398 0.748,400 0.791,401 0.618,402 1.178,403 0.644,404 2.302,405 0.952,411 0.846,412 0.152,413 2,414 0.567,415 -0.379,416 -0.468,418 -0.576,419 -0.355,420 0.418,421 -0.271,422 1.789,423 0.069,424 -0.858,425 -1.049,427 -1.59,428 -0.795,429 0.16,430 -0.701,431 1.411,432 -0.194,433 -1.104,434 -1.289,436 -2.853,437 -1.005,438 -0.252,439 -1.027,440 0.951,441 -0.618,442 -1.556,443 -1.771,445 -3.791,446 -1.405,447 -0.313,448 -1.376,449 0.705,450 -0.639,451 -1.618,452 -2.144,454 -3.909,455 -1.554,456 -0.501,457 -1.484,458 0.512,459 -0.796,460 -1.702,461 -2.256,462 -0.451,463 -4.899,464 -1.618,465 -0.518,466 -1.723,467 0.382,468 -0.956,469 -1.892,470 -2.538,471 -1.467,472 -5.423,473 -1.71,474 7.367,475 0.46,476 0.277,477 0.017,478 17,479 1.063,480 6.5,481 0.406,482 10.5,483 0.656,484 11.464,485 0.716,486 18.733,487 0.585,488 11.716,489 0.732,490 3.793,491 0.237,492 3.93,493 0.246,494 0.249,496 0.244,501 0.874,502 1.764,503 0.879,504 1.394,505 0.857,506 1.176,507 1.187,508 0.946,509 0.968,510 0.819,511 0.601,512 0.829,513 0.972,514 1.107,515 0.989,516 1.185,517 0.689,518 1.108,519 1.006,520 1.188,521 1.121,522 1.177,523 0.807,524 1.179,525 1.044,526 0.91,527 0.977,528 0.943,529 1.082,530 0.93,531 1.388,532 0.629,533 1.069,534 0.62,535 1.564,536 0.776,537 0.54,538 1.192,539 0.954,540 1.196,541 0.638,542 1.16,543 0.772,544 1.133,545 1.135,546 1.251,547 1.025,548 1.252,549 3,551 2,552 1.167,553 0.57,554 0.358,555 0.274,556 0.207,557 0.049,559 1681,560 5169,561 1.861,562 50,563 3,564 4,565 4,566 2,567 1,569 2,572 1.552,573 1.714,574 2.883,575 -0.168,577 1,578 1,579 1,582 51.191,583 1.6,584 3.537,585 4.453,586 4.515,587 4.578,588 4.578,589 2.281,590 3.625,591 3.968,592 3.002,593 360.19,594 6.69,595 3211.21,597 1,599 1,600 160,601 1.5,602 3.906,603 0.188,605 0.1,606 0.058,607 0.034,608 0.024,609 0.021,610 0.019,611 0.008,613 0.451,614 0.67,615 1,616 2.078,617 65.159,618 0.07,619 -0.452,620 0.048,621 -0.227,622 0.022,623 -0.122,624 -0.089,625 0.189,626 0.02,627 0.152,628 -0.027,629 0.118,630 -0.029,631 -0.016,632 -0.045,633 -0.122,634 0.017,635 -0.095,636 0.05,637 -0.186,638 -0.147,639 -0.21,640 -0.057,641 -0.223,642 -0.044,643 0.032,644 0.008,645 -0.031,646 -0.032,647 0.007,648 -0.117,649 0.234,650 -0.052,651 0.309,652 -0.141,653 0.16,654 -0.003,655 -0.172,656 -0.064,657 -0.137,658 0.017,659 -0.117,660 -0.066,661 -0.209,662 -0.205,663 -0.3,664 -0.005,665 -0.277,666 1.522,667 2.526,668 0.313,669 11,670 1.006,671 1.144,672 0.934,673 0.873,674 0.621,675 2.833,676 3.045,677 3.258,678 3.367,679 3.296,680 3.219,681 3.178,682 3.045,683 2.565,684 1.792,685 4.542,686 0.591,687 222.3,688 2.833,689 4.29,690 5.094,691 5.922,692 6.751,693 7.59,694 8.43,695 9.275,696 10.12,697 10.968,698 9.4,706 1,707 1,708 1,715 2,720 1,721 2,722 5,726 1,741 32,743 7,745 16,747 32,748 11,749 3,752 1,756 1,757 1,763 1,770 2,771 2,772 4,773 5,777 1,784 1,785 1,790 1,793 16,794 3,795 1,796 5,799 1,802 3,803 1,808 1,809 2,828 1,836 1,837 1,857 1,858 1,859 1,864 2,868 16,875 1,876 2,878 1,880 1,885 1,886 1,891 1,893 6.3,897 1,898 1,901 9.333,902 6.183,903 3.972,904 1.861,907 1.372,908 1.254,909 0.863,910 5.031,911 6.775,912 3.114,913 3.534,914 4.032,915 4.475,916 4.514,917 4.579,918 4.71,919 4.766,920 4.579,921 3.944,922 0.8,923 20,924 5.811,926 2.206,927 0.026,929 7.938,931 10.876,933 7.912,936 2.438,937 39,938 0.002,941 176.567,942 93.742,943 17.046,945 53.806,948 93.742,949 230.372,950 17.046,951 17.222,952 6.698,953 9.047,954 47.817,955 67,956 87.436,957 105.94,959 176.567,960 110.787,961 53.806,964 153.024,965 66.348,966 11,968 42.045,969 40.765,970 27.977,972 176.567,973 70.851,974 93.742,977 176.567,978 9.026,979 48.162,980 17.031,981 90.374,982 176.567,983 70.851,984 93.742,986 0.544,987 0.336,988 0.171,989 0.077,990 7,991 4,992 0.156,993 5,995 1,996 2.772,997 94.231,999 5,1000 64,1005 12.756,1006 6.31,1007 3.353,1009 67.053,1010 3.678,1015 0.731,1016 3.625,1017 42.806,1018 341.159,1019 21.5,1026 1.347,1027 3.005,1031 32.203,1032 36.613,1034 0.32,1035 0.707,1036 0.891,1037 0.903,1038 0.916,1039 0.916,1040 4.307,1042 5.043,1043 0.791,1044 3.714,1045 4.212,1046 2.44,1047 5.796,1048 3.557,1049 5.488,1050 -0.379,1051 6.578,1053 3.219,1054 3.861,1056 6.698,1057 2.966,1058 6.768,1059 -0.858,1060 8.219,1061 -0.576,1062 5.242,1063 6.293,1064 3.294,1065 9.725,1066 4.912,1067 8.087,1068 -1.104,1069 9.923,1070 -1.59,1071 5.638,1072 6.925,1074 11.485,1075 5.209,1076 9.441,1077 -1.556,1078 11.668,1079 -2.853,1080 7.084,1081 8.734,1082 4.231,1083 14.03,1084 6.576,1085 10.821,1086 -1.618,1087 13.441,1088 -3.791,1089 7.876,1090 9.814,1092 16.121,1093 7.273,1094 12.221,1095 -1.702,1096 15.234,1097 -3.909,1098 9.103,1099 11.38,1100 5.202,1101 18.511,1102 8.416,1103 3.026,1104 -1.892,1105 17.043,1106 -4.899,1107 10.069,1108 12.654,1110 20.731,1111 9.29,1112 2.438,1113 10.005,1114 18.863,1115 -5.423,1116 11.214,1117 14.125,1118 6.194,1119 23.066,1120 10.347,1121 1.843,1122 6.672,1123 20.693,1124 4.086,1125 12.256,1126 15.478,1128 25.336,1129 11.299,1130 1.524,1131 5.325,1132 22.53,1133 2.692,1134 13.372,1135 16.911,1136 7.202,1137 27.652,1138 12.325,1139 0.872,1140 3.589,1141 24.373,1142 2.304,1143 14.448,1144 18.297,1146 29.942,1147 13.311,1148 0.752,1149 1.745,1150 26.221,1151 2.128,1152 15.554,1153 19.715,1154 8.221,1155 32.25,1156 14.328,1157 0.618,1158 1.423,1159 28.073,1160 1.23,1161 16.645,1162 21.114,1164 34.547,1165 15.329,1166 1887,1167 3374,1168 9.94,1169 19.875,1170 23.883,1171 24.649,1172 24.415,1173 22.214,1174 22.146,1175 28.446,1176 7.231,1177 59.103,1178 20.478,1179 5.265,1180 5.477,1181 6.23,1182 5.032,1183 4.991,1184 6.794,1185 3.394,1186 16.514,1187 4.567,1188 9.482,1189 1.493,1190 1.541,1191 1.526,1192 1.388,1193 1.384,1194 1.778,1195 0.452,1196 3.694,1197 1.28,1198 4.028,1199 4.091,1200 3.981,1201 3.808,1202 6.546,1203 3.844,1204 3.685,1205 3.731,1206 3.575,1207 3.554,1208 5.436,1209 3.551,1210 3.255,1211 3.338,1212 3.17,1213 3.061,1214 4.856,1215 3.039,1216 3.245,1217 3.315,1218 3.047,1219 2.953,1220 4.436,1221 2.989,1222 3.162,1223 3.235,1224 2.998,1225 2.946,1226 4.04,1227 2.953,1228 2.893,1229 2.978,1230 2.655,1231 2.662,1232 3.957,1233 2.645,1234 2.526,1235 2.643,1236 2.277,1237 2.276,1238 3.744,1239 2.246,1240 2.403,1241 2.464,1242 2.154,1243 1.933,1244 3.174,1245 1.998,1246 0.275,1247 0.227,1248 0.404,1249 0.246,1250 0.189,1251 4.399,1252 0.255,1253 3.632,1254 0.106,1255 6.471,1256 0.625,1257 3.942,1258 0.173,1259 3.026,1260 4.086,1261 1.697,1262 10.005,1263 2.77,1264 1.702,1265 1.656,1266 1.914,1267 1.935,1268 1.127,1269 1.912,1270 1.62,1271 1.554,1272 1.794,1273 1.843,1274 0.921,1275 1.842,1276 1.524,1277 1.456,1278 1.714,1279 1.74,1280 0.828,1281 1.746,1282 1.217,1283 1.152,1284 1.469,1285 1.444,1286 0.431,1287 1.439,1288 1.056,1289 0.977,1290 1.343,1291 1.37,1292 0.351,1293 1.369,1294 0.895,1295 0.81,1296 1.246,1297 1.158,1298 0.294,1299 1.197,1300 0.583,1301 0.479,1302 1.025,1303 0.931,1305 0.943,1306 0.424,1307 0.321,1308 0.769,1309 0.821,1311 0.847,1312 3.497,1314 4.727,1315 2.398,1316 6.155,1317 4.727,1318 7.671,1319 6.783,1320 9.235,1322 3.822,1327 8.526,1328 1.109,1330 5.497,1332 -0.188,1337 5.294,1339 2.555,1340 18.918,1341 51.191,1342 113.191,1343 142.49,1344 144.49,1345 146.49,1346 146.49,1347 25.821,1348 5.403,1349 50.63,1350 50.63,1351 5,1352 11.528,1353 3,1354 2.7,1355 34.48,1356 42,1357 39,1358 0.414,1359 124.095,1360 214.3,1361 294.551,1362 1064,1364 11.966,1365 0.748,1366 0.597,1367 11.966,1368 9.551,1369 7.723,1370 0.483,1371 0.32,1372 4.993,1373 7.225,1374 4.83,1375 4.106,1376 7.723,1377 5.119,1378 6.027,1379 0.301,1380 0.173,1381 6.027,1382 3.456,1383 5.052,1384 0.202,1385 0.095,1386 5.052,1387 2.385,1388 3.728,1389 0.133,1390 0.051,1391 3.728,1392 1.419,1393 2.346,1394 0.09,1395 0.027,1396 2.346,1397 0.694,1398 0.631,1399 49.792,1400 0.317,1401 16.286,1402 1.171,1403 72,1404 243.508,1405 82.699,1406 231.596,1407 302.98,1408 214,1409 81,1410 215.769,1411 92.673,1412 216.227,1413 302.79,1414 199,1415 5.107}
{0 CHEMBL345124,1 1.263,2 9.065,3 3.025,4 9.148,5 131.47,6 6.379,7 0.647,8 4.235,9 4.383,10 3.674,11 3.784,12 5.228,13 3.726,14 4.784,15 4.991,16 4.041,17 4.207,18 5.651,19 4.127,20 5.096,21 5.325,22 4.183,23 4.448,24 5.927,25 4.335,26 5.284,27 5.543,28 4.191,29 4.555,30 6.046,31 4.404,32 5.356,33 5.632,34 4.235,35 4.592,36 6.1,37 4.437,38 5.33,39 5.592,40 4.233,41 4.577,42 6.14,43 4.431,44 5.319,45 5.579,46 4.186,47 4.55,48 6.171,49 4.398,50 5.311,51 5.579,52 4.073,53 4.509,54 6.133,55 4.335,56 0.094,57 0.948,58 15.6,59 5.963,60 14.447,61 8.825,62 0.192,63 1.544,64 27.252,65 10,66 19.93,67 15.005,68 0.256,69 2.026,70 37.155,71 13.951,72 29.556,73 20.811,74 0.321,75 2.317,76 44.579,77 17.705,78 35.259,79 25.953,80 0.302,81 2.435,82 47.818,83 19.027,84 37.295,85 27.984,86 0.306,87 2.43,88 46.859,89 17.75,90 42.464,91 26.5,92 0.316,93 2.413,94 46.484,95 17.221,96 51.068,97 25.884,98 0.34,99 2.349,100 46.061,101 17.272,102 50.03,103 25.817,104 34,105 49,106 0.2,107 0.515,108 0.7,109 0.797,110 0.818,111 0.833,112 3.473,113 1.018,114 -1.84,115 -1.9,116 -1.91,121 41.5,122 2,123 1,126 1,127 4,144 11,145 4,146 2,148 2,165 2,166 2,167 2,176 13,185 4,187 17,189 12,197 3,200 16,203 8,211 2,213 1,214 22,216 6,217 2,224 3,226 1,227 22,229 5,230 1,237 7,239 17,241 13,249 9,251 11,253 14,261 3,263 1,264 12,266 7,267 1,273 1,274 1,276 3,277 11,279 3,280 2,281 1692,282 20.999,283 20.999,284 20.999,285 20.999,286 20.999,287 18.429,288 19.463,289 12.06,290 21.35,291 16.591,292 16.591,293 16.591,294 16.591,295 16.591,296 12.72,297 19.33,298 5.526,299 17.115,300 4.759,301 2.774,302 1.609,303 1,304 0.866,305 0.773,306 4.167,312 1,313 599,314 3.937,318 265.151,322 220.637,325 1.168,326 14.038,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 64,338 281,339 4.839,340 3.618,341 7.141,342 4.369,343 3.394,344 4.905,345 1.2,346 12.516,347 3.314,348 4.245,349 3.416,350 6.943,351 4.153,352 3.244,353 3.884,355 11.579,356 2.946,357 4.167,358 2.758,359 6.325,360 3.736,361 2.744,362 3.689,364 9.493,365 2.721,366 4.052,367 2.678,368 6.102,369 3.598,370 2.623,371 3.246,373 8.753,374 2.556,375 3.601,376 2.305,377 5.245,378 3.176,379 2.205,380 3.066,382 6.314,383 2.139,384 3.576,385 2.256,386 5.021,387 3.14,388 2.168,389 3,391 5.986,392 2.101,393 3.346,394 1.953,395 4.881,396 2.893,397 1.908,398 2.697,400 5.405,401 1.876,402 2.833,403 1.488,404 4.219,405 2.425,406 1.437,407 1.979,409 3.464,410 1.419,411 2.684,412 1.34,413 4.073,414 2.321,415 1.328,416 1.767,418 3.205,419 1.318,420 2.58,421 1.191,422 3.793,423 2.175,424 1.179,425 1.604,427 2.939,428 1.174,429 2.5,430 1,431 3.622,432 2,433 1,434 1.5,436 2.313,437 1,438 2.221,439 0.968,440 3.414,441 1.905,442 0.925,443 1.169,445 2.136,446 0.905,447 1.618,448 0.744,449 3.319,450 1.591,451 0.618,452 0.618,454 0.828,455 0.6,456 1.56,457 0.469,458 3.247,459 1.328,460 0.357,461 0.401,463 0.8,464 0.346,465 1.454,466 0.206,467 2.924,468 1.067,469 0.092,470 0.106,472 0.17,473 0.09,474 15.1,475 0.487,476 0.804,477 0.026,478 39.25,479 1.266,480 20,481 0.645,482 19.25,483 0.621,484 30.439,485 0.982,486 33.5,487 0.515,488 31.596,489 1.019,490 7.599,491 0.245,492 7.355,493 0.237,494 0.152,495 0.026,496 0.291,501 1.294,502 1.283,503 0.988,504 1.06,505 1.36,506 1.012,507 1.375,508 1.043,509 0.932,510 0.887,511 0.532,512 0.879,513 1.277,514 1.044,515 1.03,516 0.982,517 0.811,518 0.987,519 0.819,520 0.968,521 0.974,522 1.005,523 0.672,524 1.002,525 0.687,526 0.944,527 0.845,528 0.926,529 0.572,530 0.902,531 1.042,532 1.056,533 0.981,534 1.003,535 0.847,536 0.99,537 1.17,538 1.142,539 1.074,540 1.085,541 1.191,542 1.074,543 1.122,544 1.099,545 1.126,546 1.114,547 1.366,548 1.119,549 6.5,550 0.165,551 3.778,552 2.438,553 2.204,554 1.285,555 1.153,556 0.804,557 0.653,558 0.362,559 10702,560 19484,561 2.057,562 52.3,564 22,567 4,569 6,570 2,572 1.748,573 1.908,574 3.134,575 1.472,582 82.098,583 1.263,584 3.248,585 4.413,586 5.022,587 5.157,588 5.249,589 2.433,590 4.567,591 4.923,592 3.33,593 1548.46,594 8.669,595 21308.4,600 391.454,601 1.595,602 4.87,603 0.191,604 0.008,605 0.077,606 0.044,607 0.041,608 0.023,609 0.021,610 0.015,611 0.015,612 0.01,613 0.444,614 0.33,615 1,616 1.479,617 156.377,618 -0.032,619 -0.052,620 0.05,621 0.02,622 -0.196,623 0.037,624 -0.074,625 0.101,626 0.097,627 0.136,628 0.159,629 0.13,630 -0.116,631 0.047,632 -0.019,633 0.033,634 0.013,635 0.017,636 0.071,637 0.04,638 0.007,639 0.009,640 0.024,641 0.005,642 0.123,643 0.026,644 0.128,645 0.081,646 0.115,647 0.101,648 -0.024,649 -0.04,650 0.01,651 -0.006,652 0.052,653 0.003,654 -0.068,655 -0.115,656 -0.076,657 -0.096,658 -0.017,659 -0.089,660 -0.061,661 -0.09,662 -0.135,663 -0.13,664 -0.146,665 -0.136,666 0.882,667 2.254,668 0.645,669 27.89,670 0.979,671 1.126,672 0.61,673 0.372,674 0.653,675 3.555,676 3.912,677 4.22,678 4.522,679 4.868,680 5.063,681 5.283,682 5.464,683 5.598,684 5.561,685 5.902,686 0.6,687 414.65,688 3.555,689 5.118,690 5.989,691 6.897,692 7.796,693 8.717,694 9.63,695 10.557,696 11.478,697 12.41,698 6.2,702 2,708 1,712 1,714 4,715 11,720 4,721 1,722 22,733 2,741 65,743 22,744 3,745 34,747 68,748 27,749 19,750 7,751 11,756 4,757 7,763 2,770 1,772 19,773 8,793 34,794 2,795 4,796 4,802 4,803 2,807 1,808 0.5,822 1,829 4,833 2,859 2,864 3,868 31,869 2,876 5,883 1,901 16.25,902 12.333,903 6.903,904 4.354,907 4.517,908 1.566,909 0.994,910 6.171,911 12.501,912 3.829,913 4.5,914 5.178,915 5.89,916 6.618,917 7.124,918 7.69,919 8.209,920 8.687,921 8.956,922 0.833,923 55,924 11.454,926 4.776,927 0.026,929 7.446,931 22.702,933 18.99,936 1.946,937 60.333,941 353.133,942 162.562,943 67.693,948 162.562,949 353.133,950 67.693,951 26.047,952 10.957,953 170.033,954 1.899,955 21.319,957 353.133,959 353.133,960 230.255,964 258.964,965 94.169,968 33.509,969 194.847,970 1.899,972 353.133,973 67.693,974 162.562,977 353.133,978 32.276,979 132.185,981 65.794,982 353.133,983 67.693,984 162.562,986 0.583,987 0.351,988 0.186,989 0.111,990 24,991 11,992 0.103,993 7,994 2,995 1.2,996 3.94,997 300.071,998 0.2,999 20,1000 145.58,1005 21.603,1006 8.856,1007 4.254,1008 4.791,1009 65.794,1010 23.134,1015 3.985,1016 2.457,1017 65.794,1018 583.388,1019 45,1031 63.661,1032 73.221,1034 0.21,1035 0.539,1036 0.733,1037 0.834,1038 0.856,1039 0.872,1040 5.078,1041 1.437,1042 6.014,1043 5.405,1044 4.595,1045 5.187,1046 1.072,1047 6.907,1048 4.535,1049 6.325,1050 1.328,1051 7.628,1052 3.464,1053 4.369,1054 5.156,1055 0.931,1056 8.162,1057 4.226,1058 7.672,1059 1.179,1060 9.352,1061 3.205,1062 6.304,1063 7.528,1064 1.148,1065 11.223,1066 6.164,1067 9.061,1068 1,1069 11.143,1070 2.939,1071 6.899,1072 8.327,1073 1.241,1074 13.261,1075 6.67,1076 10.481,1077 0.925,1078 12.977,1079 2.313,1080 8.339,1081 10.202,1082 1.386,1083 15.92,1084 8.105,1085 11.925,1086 0.618,1087 14.838,1088 2.136,1089 9.28,1090 11.405,1091 1.521,1092 18.238,1093 8.97,1094 13.387,1095 0.357,1096 16.72,1097 0.828,1098 10.552,1099 13.088,1100 1.668,1101 20.783,1102 10.222,1103 3.394,1104 0.092,1105 18.616,1106 0.8,1107 11.641,1108 14.494,1109 1.818,1110 23.209,1111 11.252,1112 3.244,1113 12.516,1114 20.522,1115 0.17,1116 12.857,1117 16.105,1118 1.973,1119 25.721,1120 12.441,1121 2.744,1122 11.579,1123 22.436,1124 4.905,1125 14.009,1126 17.609,1127 2.132,1128 28.191,1129 13.546,1130 2.623,1131 9.493,1132 24.357,1133 3.884,1134 15.21,1135 19.197,1136 2.294,1137 30.695,1138 14.717,1139 2.205,1140 8.753,1141 26.283,1142 3.689,1143 16.39,1144 20.746,1145 2.46,1146 33.185,1147 15.859,1148 2.168,1149 6.314,1150 28.213,1151 3.246,1152 17.589,1153 22.329,1154 2.628,1155 35.69,1156 17.029,1157 1.908,1158 5.986,1159 30.147,1160 3.066,1161 18.782,1162 23.899,1163 2.798,1164 38.19,1165 18.19,1166 10489,1167 14346,1168 22.364,1169 42.444,1170 50.849,1171 50.431,1172 54.065,1173 50.663,1174 50.556,1175 67.411,1176 2.4,1177 152.055,1178 49.121,1179 5.751,1180 5.618,1181 6.943,1182 5.412,1183 5.394,1184 7.905,1185 1.6,1186 20.516,1187 5.314,1188 16.421,1189 1.496,1190 1.483,1191 1.59,1192 1.49,1193 1.487,1194 1.983,1195 0.071,1196 4.472,1197 1.445,1198 4.225,1199 4.252,1200 4.197,1201 4.162,1202 5.166,1203 4.167,1204 3.89,1205 3.969,1206 3.792,1207 3.808,1208 5.086,1209 3.801,1210 3.857,1211 3.888,1212 3.76,1213 3.692,1214 4.825,1215 3.697,1216 3.752,1217 3.792,1218 3.687,1219 3.662,1220 4.665,1221 3.664,1222 3.53,1223 3.603,1224 3.407,1225 3.366,1226 4.387,1227 3.364,1228 3.306,1229 3.407,1230 3.117,1231 3.123,1232 4.26,1233 3.102,1234 3.257,1235 3.336,1236 3.04,1237 3.109,1238 4.126,1239 3.089,1240 3.126,1241 3.217,1242 3,1243 2.975,1244 3.892,1245 2.976,1246 0.142,1247 0.106,1248 0.21,1249 0.128,1250 0.1,1251 4.839,1252 0.144,1253 3.618,1254 0.035,1255 7.141,1256 0.368,1257 4.369,1258 0.097,1259 3.394,1260 4.905,1261 1.2,1262 12.516,1263 3.314,1264 2.176,1265 2.156,1266 2.229,1267 2.255,1268 1.461,1269 2.249,1270 1.869,1271 1.842,1272 2.059,1273 2.069,1274 1.375,1275 2.072,1276 1.836,1277 1.76,1278 1.99,1279 1.944,1280 1.073,1281 1.961,1282 1.742,1283 1.708,1284 1.863,1285 1.859,1286 1.062,1287 1.863,1288 1.521,1289 1.45,1290 1.787,1291 1.718,1292 0.923,1293 1.743,1294 1.351,1295 1.256,1296 1.725,1297 1.584,1298 0.869,1299 1.638,1300 1.242,1301 1.179,1302 1.548,1303 1.466,1304 0.66,1305 1.49,1306 1.113,1307 1.037,1308 1.413,1309 1.385,1310 0.537,1311 1.414,1312 4.234,1314 5.58,1316 7.141,1318 8.803,1320 10.524,1322 6.905,1326 12.505,1328 5.472,1335 1.085,1340 38.988,1341 82.098,1342 211.126,1343 286.871,1344 326.434,1345 335.189,1346 341.189,1347 46.86,1348 7.984,1349 55.92,1350 55.92,1351 24,1352 12.913,1353 4.524,1354 3.585,1355 48.781,1356 104,1357 120,1358 0.223,1359 241.021,1360 402.86,1361 579.85,1362 30938,1364 22.01,1365 0.71,1366 0.614,1367 22.01,1368 19.041,1369 14.954,1370 0.44,1371 0.339,1372 11.442,1373 14.635,1374 11.076,1375 9.312,1376 14.954,1377 11.543,1378 13.541,1379 0.276,1380 0.188,1381 13.541,1382 9.201,1383 11.742,1384 0.175,1385 0.108,1386 11.742,1387 7.25,1388 9.49,1389 0.104,1390 0.053,1391 9.49,1392 4.837,1393 8.294,1394 0.064,1395 0.027,1396 8.294,1397 3.447,1398 0.335,1399 91.617,1400 0.211,1401 28.17,1402 0.666,1403 166,1404 307.29,1405 173.244,1406 319.167,1407 460.83,1408 300,1409 199,1410 364.479,1411 207.659,1412 378.572,1413 556.09,1414 358,1415 4.691}
{0 CHEMBL345241,1 1.075,2 7,3 3.678,4 13.527,5 62.423,6 5.01,8 3.69,9 3.851,10 2.923,11 3.194,12 4.315,13 3.085,14 4.37,15 4.616,16 3.211,17 3.652,18 4.898,19 3.487,20 4.738,21 5.04,22 3.156,23 3.829,24 5.195,25 3.588,26 4.781,27 5.134,28 2.874,29 3.693,30 5.169,31 3.397,32 4.516,33 4.876,34 2.75,35 3.452,36 4.892,37 3.189,38 4.276,39 4.586,40 2.614,41 3.37,42 4.704,43 3.112,44 4.299,45 4.653,46 2.316,47 3.242,48 4.652,49 2.926,50 3.991,51 4.359,52 1.831,53 2.87,54 4.348,55 2.524,56 0.053,57 0.536,58 10.24,59 4.185,60 3.321,61 6.174,62 0.11,63 0.903,64 18.032,65 7.031,66 5.859,67 10.546,68 0.132,69 1.121,70 23.114,71 9.257,72 7.994,73 13.745,74 0.132,75 1.022,76 21.831,77 8.52,78 8.065,79 12.776,80 0.107,81 0.787,82 16.757,83 6.483,84 5.814,85 9.745,86 0.068,87 0.682,88 14.011,89 6.05,90 4.523,91 8.733,92 0.059,93 0.614,94 12.964,95 5.697,96 4.159,97 8.173,98 0.043,99 0.425,100 9.117,101 3.974,102 3.421,103 5.718,104 2,105 19,106 0.202,107 0.307,108 0.577,109 0.732,110 0.758,111 0.758,112 2.731,113 1.313,114 -4.58,115 -4.5,116 -4.23,121 33.3,122 1,123 7,124 2,127 3,176 9,180 3,187 9,192 3,200 3,206 3,214 2,219 1,227 5,239 7,251 6,264 3,277 1,281 168,282 9.569,283 9.569,284 9.569,285 9.569,286 9.569,287 9.569,288 8.098,289 5.956,290 9.676,291 7.433,292 7.433,293 7.433,294 7.433,295 7.433,296 7.433,297 9.053,298 2.895,299 7.605,300 4.21,301 3.654,302 2.213,303 1.391,304 1.25,305 1.25,306 3.383,311 1,312 1,313 206,314 1.581,318 87.796,325 1,326 2.262,329 1,330 0.83,331 0.83,332 0.5,333 0.5,334 1,335 1,336 0.81,337 28.5,338 98,339 3.709,340 2.925,341 5.598,342 3.67,343 2.709,344 2.709,345 0.8,346 7.739,347 2.611,348 3.414,349 2.432,350 5.166,351 3.41,352 2.414,353 2.414,355 6.457,356 2.402,357 3,358 2.124,359 4.813,360 2.958,361 2,362 2,364 5.476,365 1.906,366 2.414,367 1.432,368 3.587,369 2.409,370 1.414,371 1.414,373 3.033,374 1.405,375 2,376 1.077,377 3.414,378 2,379 1,380 1,382 2.275,383 1,384 2,385 1,386 3.247,387 1.984,388 1,389 1,391 2.136,392 0.983,393 1.194,394 0.314,395 2.816,396 1.169,397 0.194,398 0.194,400 0.459,401 0.189,402 0.586,403 -0.375,404 2,405 0.576,406 -0.414,407 -0.414,409 -0.93,410 -0.41,412 -0.784,413 1.873,415 -1,416 -1,418 -2.347,419 -0.946,421 -0.893,422 1.555,423 -0.024,424 -1,425 -1,427 -2.375,428 -0.972,430 -1,431 1.4,432 -0.049,433 -1,434 -1,436 -3,437 -1,438 -0.414,439 -1.399,440 0.961,441 -0.418,442 -1.414,443 -1.414,445 -3.369,446 -1.408,447 -0.903,448 -1.759,449 0.786,450 -0.949,451 -1.903,452 -1.903,454 -4.789,455 -1.823,456 -1,457 -1.893,458 0.586,459 -1,460 -2,461 -2,462 -0.4,463 -5.275,464 -1.936,465 -1,466 -2,467 0.198,468 -1.035,469 -2,470 -2,471 -0.4,472 -5.491,473 -2,474 6.9,475 0.493,476 0.243,477 0.017,478 8.25,479 0.589,482 8.25,483 0.589,484 16.378,485 1.17,486 17.7,487 0.454,488 1.529,489 0.109,490 0.573,491 0.041,492 6.27,493 0.448,494 0.072,496 0.203,501 1.14,502 1.614,503 1.29,504 1.449,505 1.412,506 1.389,507 1.772,508 1.286,509 1.307,510 1.235,511 1.259,512 1.247,513 1.235,514 1.196,515 1.184,516 1.182,517 1.178,518 1.181,519 1.084,520 0.949,521 0.94,522 0.925,523 0.954,524 0.926,525 1.331,526 0.691,527 0.823,528 0.697,529 0.848,530 0.73,531 0.845,532 1.081,533 1.131,534 1.149,535 1.048,536 1.152,537 0.412,538 0.9,539 0.885,540 0.956,541 0.661,542 0.944,543 0.396,544 0.865,545 0.851,546 0.919,547 0.914,548 0.908,549 2.5,551 0.889,552 0.438,553 0.493,554 0.069,555 0.16,556 0.111,557 0.037,558 0.016,559 1435,560 1577,561 2.076,562 64.1,563 14,564 6,569 5,572 1.502,573 2,574 2.868,575 -0.905,579 1,582 41.929,583 1.075,584 1.631,585 3.072,586 3.894,587 4.035,588 4.035,589 2.271,590 2.896,591 3.782,592 2.901,593 263.994,594 6.271,595 2063.27,597 1,600 206.131,601 1.095,602 3.765,603 0.167,605 0.047,606 0.027,607 0.045,608 0.006,609 0.018,610 0.019,611 0.012,612 0.016,613 0.356,614 0.83,615 1,616 0.544,617 53.659,618 0.17,619 -0.154,620 0.067,621 -0.041,622 -0.036,623 -0.001,624 -0.141,625 -0.041,626 -0.103,627 -0.071,628 -0.076,629 -0.083,630 -0.091,631 -0.144,632 -0.145,633 -0.152,634 -0.126,635 -0.151,636 -0.004,637 -0.052,638 -0.018,639 -0.035,640 0.001,641 -0.028,642 -0.055,643 0.204,644 0.104,645 0.168,646 0.067,647 0.148,648 -0.121,649 -0.069,650 -0.141,651 -0.113,652 -0.163,653 -0.125,654 0.02,655 -0.033,656 -0.015,657 -0.028,658 0.056,659 -0.024,660 0.028,661 -0.047,662 -0.017,663 -0.036,664 0.007,665 -0.03,666 0.349,667 0.718,668 0.857,669 7.143,670 0.967,671 1.141,672 3.347,673 11.201,674 0.593,675 2.773,676 2.996,677 3.135,678 3.296,679 3.497,680 3.219,681 3.219,682 3.219,683 3.045,684 2.833,685 4.163,686 0.522,687 195.39,688 2.773,689 4.234,690 5.017,691 5.832,692 6.632,693 7.449,694 8.256,695 9.074,696 9.883,697 10.701,698 2.6,701 1,741 39,745 15,747 40,748 13,756 2,757 2,763 1,767 7,768 2,770 7,773 13,774 2,790 1,793 25,794 1,796 1,802 1,808 1,829 2,855 1,859 2,864 1,868 14,876 10,880 2,881 1,901 7,902 6.867,903 3.167,904 2.967,908 1,909 0.917,910 3.86,911 5.533,912 2.773,913 2.996,914 3.135,915 3.296,916 3.497,917 3.219,918 3.219,919 3.219,920 3.045,921 2.833,922 0.8,923 16,924 5.281,925 0.002,926 2.142,927 0.026,929 7.048,931 11.311,933 9.88,934 -0.001,936 1.548,937 21.667,938 0.048,941 294.278,942 32.884,943 3.124,948 32.884,949 294.278,950 3.124,951 8.825,952 24.059,955 3.124,957 294.278,959 294.278,960 36.008,964 235.422,965 58.856,968 36.008,972 294.278,973 3.124,974 32.884,977 294.278,978 24.059,979 11.95,982 294.278,983 3.124,984 32.884,986 0.56,987 0.302,988 0.155,989 0.092,990 9,991 3,992 0.05,993 2,995 1,996 2.758,997 82.292,999 12,1000 45.303,1005 10.478,1006 5.158,1007 3.252,1009 3.124,1018 330.286,1019 15,1031 37.705,1032 44.481,1034 0.203,1035 0.309,1036 0.581,1037 0.737,1038 0.763,1039 0.763,1040 3.989,1041 -0.414,1042 4.934,1043 0.459,1044 3.664,1045 3.664,1046 0.673,1047 5.58,1048 3.618,1049 4.997,1050 -1,1051 6.382,1052 -0.93,1053 2.944,1054 2.944,1055 0.325,1056 6.071,1057 2.855,1058 6.17,1059 -1,1060 7.918,1061 -2.347,1062 5.094,1063 5.094,1064 0.379,1065 9.087,1066 4.994,1067 7.35,1068 -1,1069 9.505,1070 -2.375,1071 5.142,1072 5.142,1073 0.268,1074 10.369,1075 4.993,1076 8.566,1077 -1.414,1078 11.123,1079 -3,1080 6.751,1081 6.751,1082 0.239,1083 12.845,1084 6.595,1085 9.798,1086 -1.903,1087 12.762,1088 -3.369,1089 7.194,1090 7.194,1091 0.188,1092 14.484,1093 6.988,1094 11.043,1095 -2,1096 14.416,1097 -4.789,1098 8.524,1099 8.524,1100 0.156,1101 16.73,1102 8.308,1103 2.709,1104 -2,1105 16.08,1106 -5.275,1107 9.191,1108 9.191,1109 0.125,1110 18.556,1111 8.926,1112 2.414,1113 7.739,1114 17.751,1115 -5.491,1116 10.367,1117 10.367,1118 0.102,1119 20.692,1120 10.086,1121 2,1122 6.457,1123 19.428,1124 2.709,1125 11.167,1126 11.167,1127 0.082,1128 22.619,1129 10.836,1130 1.414,1131 5.476,1132 21.11,1133 2.414,1134 12.256,1135 12.256,1136 0.066,1137 24.704,1138 11.905,1139 1,1140 3.033,1141 22.796,1142 2,1143 13.134,1144 13.134,1145 0.054,1146 26.685,1147 12.735,1148 1,1149 2.275,1150 24.485,1151 1.414,1152 14.176,1153 14.176,1154 0.043,1155 28.745,1156 13.752,1157 0.194,1158 2.136,1159 26.177,1160 1,1161 15.1,1162 15.1,1163 0.035,1164 30.755,1165 14.629,1166 1451,1167 1533,1168 10.227,1169 23.143,1170 21.463,1171 21.488,1172 21.817,1173 21.478,1174 21.463,1175 21.463,1176 1.6,1177 55.15,1178 20.991,1179 4.709,1180 4.925,1181 5.4,1182 4.705,1183 4.709,1184 4.709,1185 1.2,1186 13.231,1187 4.611,1188 4.315,1189 1.431,1190 1.433,1191 1.454,1192 1.432,1193 1.431,1194 1.431,1195 0.107,1196 3.677,1197 1.399,1198 3.942,1199 4.004,1200 3.809,1201 3.815,1202 4.394,1203 3.804,1204 3.8,1205 3.862,1206 3.649,1207 3.682,1208 4.22,1209 3.666,1210 3.368,1211 3.454,1212 3.187,1213 3.19,1214 3.875,1215 3.177,1216 3.111,1217 3.206,1218 2.866,1219 2.941,1220 3.517,1221 2.91,1222 3.111,1223 3.206,1224 2.866,1225 2.941,1226 3.474,1227 2.91,1228 3.098,1229 3.196,1230 2.86,1231 2.91,1232 3.474,1233 2.885,1234 2.719,1235 2.844,1236 2.4,1237 2.469,1238 3.128,1239 2.435,1240 2.424,1241 2.568,1242 2.039,1243 2.151,1244 2.728,1245 2.104,1246 0.247,1247 0.195,1248 0.373,1249 0.245,1250 0.181,1251 3.709,1252 0.181,1253 2.925,1254 0.053,1255 5.598,1256 0.516,1257 3.67,1258 0.174,1259 2.709,1260 2.709,1261 0.8,1262 7.739,1263 2.611,1264 1.917,1265 1.861,1266 2.13,1267 2.075,1268 1.527,1269 2.097,1270 1.819,1271 1.759,1272 2.051,1273 1.973,1274 1.419,1275 2.004,1276 1.372,1277 1.292,1278 1.669,1279 1.594,1280 0.986,1281 1.625,1282 1.153,1283 1.064,1284 1.513,1285 1.376,1286 0.825,1287 1.429,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.825,1293 1.429,1294 1.133,1295 1.038,1296 1.505,1297 1.368,1298 0.729,1299 1.421,1300 0.754,1301 0.633,1302 1.193,1303 1.054,1304 0.422,1305 1.11,1306 0.482,1307 0.344,1308 0.996,1309 0.812,1310 0.215,1311 0.884,1312 3.434,1314 4.673,1316 6.111,1318 7.63,1320 9.183,1322 2.401,1328 14.525,1332 2.023,1333 2.718,1340 20.343,1341 41.929,1342 63.628,1343 119.808,1344 151.866,1345 157.376,1346 157.376,1347 16.531,1348 5.533,1349 3.24,1350 3.24,1351 12,1352 11.285,1355 21.476,1356 35,1357 30,1358 0.314,1359 127.478,1360 219.74,1361 302.807,1362 1407,1364 9.803,1365 0.7,1366 0.691,1367 9.803,1368 9.673,1369 6.843,1370 0.456,1371 0.438,1372 6.536,1373 6.74,1374 6.346,1375 5.313,1376 6.843,1377 6.567,1378 5.866,1379 0.309,1380 0.289,1381 5.866,1382 5.487,1383 4.527,1384 0.206,1385 0.187,1386 4.527,1387 4.117,1388 3.459,1389 0.133,1390 0.115,1391 3.459,1392 2.979,1393 2.924,1394 0.091,1395 0.077,1396 2.924,1397 2.449,1398 0.482,1399 41.672,1400 0.313,1401 14.438,1402 0.877,1403 68,1404 87.645,1405 70.082,1406 87.744,1407 122.96,1408 84,1409 75,1410 89.113,1411 77.664,1412 92.323,1413 133.07,1414 87,1415 8.051}
{0 CHEMBL345698,1 1.287,2 3.5,3 2.522,4 6.359,5 31.316,6 7.343,7 0.75,8 2.776,9 2.89,10 2.32,11 2.396,12 3.97,13 2.35,14 3.216,15 3.393,16 2.573,17 2.657,18 4.444,19 2.595,20 3.35,21 3.557,22 2.379,23 2.585,24 4.582,25 2.484,26 3.204,27 3.508,28 1.838,29 2.11,30 4.309,31 1.944,32 2.624,33 2.952,34 0.64,35 1.277,36 3.807,37 1.103,38 1.298,39 1.682,40 0.021,41 0.361,42 1.386,43 0.189,56 0.003,57 0.249,58 2.869,59 1.566,60 2.197,61 1.899,62 0.016,63 0.378,64 5.051,65 2.419,66 5.666,67 2.991,68 0.069,69 0.43,70 6.368,71 2.676,72 16.358,73 3.138,74 0.067,75 0.317,76 6.173,77 2.221,78 15.494,79 2.87,80 0.127,81 0.185,82 3.979,83 1.101,84 25.284,85 1.109,86 0.011,87 0.017,88 0.834,89 0.243,90 2.37,91 0.409,104 5,105 10,106 0.309,107 0.605,108 0.733,109 0.861,110 0.861,111 0.861,112 2.263,113 0.941,114 -4.28,115 -4.21,116 -3.98,121 46.7,122 1,144 4,145 1,146 1,176 5,187 6,200 3,214 1,281 18,282 5.138,283 5.138,284 5.138,285 5.138,286 5.138,287 4.309,288 4.053,289 3.174,290 5.2,291 3.949,292 3.949,293 3.949,294 3.949,295 3.949,296 2.815,297 3.12,298 1.528,299 4.071,300 2.62,301 1.384,302 0.85,303 0.317,304 0.317,305 0.317,306 2.805,312 1,313 54,314 1,318 22.133,325 0.5,326 8.335,329 1,330 0.5,331 0.83,332 0.5,334 1,335 1,336 0.69,337 17.5,338 28,339 4.007,340 2.959,341 5.343,342 3.57,343 2.596,344 3.621,346 6.939,347 2.525,348 3.232,349 2.325,350 4.562,351 2.832,352 1.879,353 2.481,355 4.84,356 1.77,357 2.658,358 1.26,359 3.471,360 2.174,361 1.183,362 1.732,364 2.57,365 1.169,366 1,367 0.194,368 2,369 0.621,370 -0.347,371 -0.445,373 -0.751,374 -0.319,375 0.79,376 -0.134,377 2,378 0.405,379 -0.516,380 -0.621,382 -1.233,383 -0.477,384 0.045,385 -1.105,386 1.186,387 -0.302,388 -1.263,389 -1.732,391 -3.276,392 -1.197,393 -0.232,394 -1.309,395 1,396 -0.599,397 -1.532,398 -2.036,400 -3.621,401 -1.471,402 -0.5,403 -2,404 0.438,405 -1,406 -2,407 -3,409 -5.468,410 -2,474 3.786,475 0.473,476 0.212,477 0.027,478 10.25,479 1.281,480 6,481 0.75,482 4.25,483 0.531,484 3.57,485 0.446,486 8.814,487 0.588,488 4.856,489 0.607,490 2.244,491 0.281,492 1.543,493 0.193,494 0.208,496 0.264,499 1,501 0.467,502 0.839,503 0.735,504 0.999,505 0.517,506 0.964,507 0.571,508 0.936,509 0.732,510 1.02,511 0.538,512 0.955,513 1.119,514 1.178,515 1.221,516 1.246,517 1.141,518 1.259,519 0.904,520 1.037,521 0.898,522 1.021,523 0.876,524 0.977,525 2.7,526 1.106,527 1.823,528 0.614,529 2.711,530 0.847,549 2,551 0.667,552 0.5,553 0.222,559 218,560 719,561 1.861,562 46.7,563 3,564 4,572 1.303,573 1.714,574 2.035,575 -0.828,582 19.3,583 1.287,584 2.523,585 3.057,586 3.59,587 3.59,588 3.59,589 1,590 1.561,591 2.984,592 1.892,593 52.98,594 4.664,595 284.491,600 58.603,601 1.5,602 2.906,603 0.25,605 0.067,606 0.071,607 0.074,613 0.462,614 0.83,615 0.88,616 0.875,617 21.708,622 -0.05,624 0.029,625 -0.113,626 0.086,627 -0.06,628 0.069,629 0.002,630 -0.115,631 -0.178,632 -0.315,633 -0.316,634 -0.142,635 -0.358,636 0.015,637 -0.227,638 0.102,639 -0.144,640 0.05,641 -0.041,642 -0.516,643 0.394,644 -0.556,645 0.288,646 -0.551,647 -0.012,648 0.245,649 0.247,650 1.057,651 0.827,652 0.275,653 1.077,666 1.829,667 4.168,668 0.75,669 1.875,670 1.003,671 1.133,672 3.045,673 9.273,674 0.666,675 2.197,676 2.398,677 2.398,678 2.485,679 2.398,680 1.792,685 2.383,686 0.633,687 110.14,688 2.197,689 3.611,690 4.344,691 5.142,692 5.889,693 6.691,694 7.441,695 8.244,696 8.995,697 9.798,715 4,720 2,722 6,740 1,741 15,743 6,744 1,745 8,747 15,748 7,749 6,750 2,751 4,756 1,757 1,763 1,772 6,773 1,791 1,793 7,794 1,796 1,808 1,829 1,859 1,864 1,866 1,868 8,892 1,901 4.667,902 2.976,903 1.833,904 0.841,907 1.233,908 1.298,909 0.929,910 1.292,911 5.376,912 2.485,913 3.02,914 3.409,915 3.853,916 4.202,917 3.596,922 0.333,923 7,924 2.931,925 0.064,926 1.148,927 0.083,929 8.167,931 5.438,932 0.026,933 4.012,934 0.045,935 0.003,936 2.667,937 21.333,938 0.037,941 82.398,942 59.037,946 14.96,948 59.037,949 82.398,950 14.96,951 8.825,953 37.905,955 12.307,956 14.96,957 82.398,959 82.398,960 59.037,961 14.96,964 97.358,968 8.825,969 50.212,972 97.358,974 59.037,977 82.398,978 12.307,979 46.73,981 14.96,982 82.398,983 14.96,984 59.037,986 0.563,987 0.284,988 0.139,989 0.06,990 5,991 2,995 1,996 1.918,997 33.496,999 6,1000 22,1005 5.296,1006 1.952,1007 1.318,1009 14.96,1010 6.501,1015 0.801,1018 156.395,1019 11,1031 15.047,1032 17.001,1034 0.329,1035 0.646,1036 0.782,1037 0.919,1038 0.919,1039 0.919,1040 3.597,1041 -2,1042 4.29,1043 -3.621,1044 3.045,1045 3.689,1047 4.905,1048 2.986,1049 4.781,1051 5.733,1052 -5.468,1053 2.565,1054 3.332,1056 5.38,1057 2.416,1058 6.039,1060 7.265,1062 4.443,1063 5.791,1065 8.318,1066 4.332,1067 7.327,1069 8.839,1071 4.615,1072 6.086,1074 9.47,1075 4.404,1076 8.637,1078 10.439,1080 6.075,1081 8.115,1083 11.951,1084 5.915,1085 9.963,1087 12.054,1089 6.592,1090 8.766,1092 13.428,1093 6.339,1094 11.301,1096 13.68,1098 7.831,1099 10.546,1101 15.69,1102 7.618,1103 2.596,1105 15.315,1107 8.535,1108 11.412,1110 17.348,1111 8.242,1112 1.879,1113 6.939,1114 16.956,1116 9.653,1117 13.033,1119 19.486,1120 9.386,1121 1.183,1122 4.84,1123 18.603,1124 3.621,1125 10.463,1126 14.036,1128 21.252,1129 10.127,1130 -0.347,1131 2.57,1132 20.254,1133 2.481,1134 11.513,1135 15.552,1137 23.314,1138 11.189,1139 -0.516,1140 -0.751,1141 21.909,1142 1.732,1143 12.382,1144 16.646,1146 25.145,1147 12.001,1148 -1.263,1149 -1.233,1150 23.567,1151 -0.445,1152 13.393,1153 18.09,1155 27.161,1156 13.012,1157 -1.532,1158 -3.276,1159 25.227,1160 -0.621,1161 14.298,1162 19.245,1164 29.033,1165 13.867,1166 270,1167 528,1168 4.97,1169 9.983,1170 11.545,1171 11.446,1172 11.75,1173 11.377,1174 11.316,1175 15.669,1177 28.697,1178 10.928,1179 4.507,1180 4.959,1181 4.904,1182 4.57,1183 4.596,1184 6.621,1186 12.407,1187 4.525,1188 3.565,1189 1.443,1190 1.431,1191 1.469,1192 1.422,1193 1.415,1194 1.959,1196 3.587,1197 1.366,1198 3.913,1199 3.944,1200 3.853,1201 3.844,1202 8.201,1203 3.841,1204 3.182,1205 3.264,1206 3.012,1207 3.024,1208 4.657,1209 3.005,1210 2.894,1211 2.955,1212 2.785,1213 2.733,1214 3.869,1215 2.734,1216 2.491,1217 2.598,1218 2.2,1219 2.285,1220 3.441,1221 2.248,1222 1.776,1223 1.91,1224 1.65,1225 1.208,1226 3.128,1227 1.237,1228 1.518,1229 1.722,1230 0.938,1231 1.031,1232 1.893,1233 1.012,1234 0.958,1235 1.207,1236 0.378,1237 0.549,1238 1.264,1239 0.471,1240 0.941,1241 1.207,1242 0.111,1243 0.38,1244 1.123,1245 0.262,1246 0.501,1247 0.37,1248 0.668,1249 0.446,1250 0.325,1251 4.007,1252 0.453,1253 2.959,1255 5.343,1256 0.867,1257 3.57,1258 0.316,1259 2.596,1260 3.621,1262 6.939,1263 2.525,1264 1.898,1265 1.871,1266 2.023,1267 1.991,1268 1.105,1269 2.002,1270 1.202,1271 1.124,1272 1.537,1273 1.419,1274 0.588,1275 1.463,1276 0.858,1277 0.804,1278 1.105,1279 1.068,1280 0.145,1281 1.077,1282 0.531,1283 0.43,1284 0.916,1285 0.781,1287 0.833,1290 0.341,1291 0.148,1293 0.197,1297 0.043,1299 0.01,1312 2.833,1314 4.043,1316 5.451,1318 6.948,1320 8.48,1322 1.864,1324 12.168,1340 9.491,1341 19.3,1342 37.848,1343 45.848,1344 53.848,1345 53.848,1346 53.848,1347 8.194,1348 4.143,1351 6,1352 10.405,1353 2.807,1354 2,1355 11.963,1356 13,1357 6,1358 0.612,1359 62.939,1360 104.55,1361 145.332,1362 182,1363 6.7,1364 5.983,1365 0.748,1366 0.586,1367 5.113,1368 4.687,1369 3.788,1370 0.473,1371 0.314,1372 2.485,1373 3.669,1374 2.372,1375 2.023,1376 3.394,1377 2.51,1378 3.377,1379 0.338,1380 0.18,1381 2.743,1382 1.799,1383 2.199,1384 0.22,1385 0.098,1386 1.894,1387 0.98,1388 1.737,1389 0.158,1390 0.055,1391 1.307,1392 0.606,1393 0.971,1394 0.097,1395 0.03,1396 0.901,1397 0.299,1398 0.834,1399 23.592,1400 0.449,1401 7.614,1402 1.945,1403 36,1404 156.111,1405 39.831,1406 128.303,1407 161.68,1408 118,1409 38,1410 107.333,1411 40.91,1412 105.653,1413 147.44,1414 98,1415 5.31}
{0 CHEMBL345847,1 1.461,2 8.75,3 1.94,4 3.764,5 78.162,6 6.809,7 0.273,8 3.772,9 3.898,10 3.271,11 3.306,12 4.763,13 3.267,14 4.378,15 4.576,16 3.637,17 3.74,18 5.314,19 3.673,20 4.669,21 4.898,22 3.693,23 3.897,24 5.616,25 3.791,26 4.774,27 5.044,28 3.5,29 3.791,30 5.828,31 3.642,32 4.573,33 4.869,34 3.217,35 3.533,36 5.47,37 3.39,38 4.262,39 4.502,40 3.182,41 3.427,42 5.212,43 3.316,44 4.268,45 4.491,46 3.154,47 3.398,48 5.317,49 3.288,50 4.142,51 4.376,52 2.982,53 3.25,54 5.206,55 3.129,56 0.013,57 0.581,58 9.027,59 3.823,60 4.136,61 5.327,62 0.229,63 0.981,64 17.771,65 6.35,66 14.657,67 9.283,68 0.141,69 1.186,70 24.131,71 9.056,72 22.006,73 12.927,74 0.381,75 1.176,76 28.158,77 9.378,78 78.29,79 13.676,80 0.334,81 0.933,82 23.503,83 7.133,84 53.499,85 10.619,86 0.207,87 0.753,88 16.481,89 5.72,90 27.084,91 8.081,92 0.199,93 0.722,94 16.682,95 5.836,96 38.678,97 8.031,98 0.32,99 0.641,100 14.953,101 4.786,102 39.964,103 6.809,104 10,105 31,106 0.263,107 0.528,108 0.686,109 0.741,110 0.766,111 0.766,112 3.058,113 0.996,114 -3.64,115 -3.61,116 -3.44,121 40,123 3,124 1,126 1,127 3,144 4,145 2,160 2,176 9,179 2,180 7,187 9,192 8,200 3,205 1,206 11,214 2,219 4,227 4,231 1,232 4,239 8,251 6,255 2,256 2,264 4,269 2,281 480,282 13.483,283 13.483,284 13.483,285 13.483,286 13.483,287 12.597,288 14.691,289 7.876,290 13.661,291 10.812,292 10.812,293 10.812,294 10.812,295 10.812,296 9.355,297 14.942,298 3.718,299 11.047,300 3.861,301 2.388,302 1.513,303 1.207,304 1.069,305 1.069,306 3.736,310 1,311 1,312 1,313 379,314 2.345,317 40.092,318 114.178,321 78.468,325 1.2,326 21.857,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 43,338 175,339 4.586,340 3.952,341 6.964,342 4.291,343 3.302,344 4.146,345 1.349,346 11.689,347 3.263,348 3.637,349 3.256,350 5.693,351 3.593,352 2.62,353 2.821,354 0.8,355 7.377,356 2.557,357 3.514,358 2.802,359 5.491,360 3.202,361 2.246,362 2.65,363 0.8,364 7.025,365 2.144,366 3.441,367 2.445,368 5.402,369 3.066,370 2.056,371 2.604,373 6.426,374 2.093,375 3.097,376 2.276,377 4.886,378 3.004,379 2.026,380 2.109,382 5.677,383 1.937,384 2.797,385 1.816,386 3.711,387 2.392,388 1.401,389 1.901,391 3.061,392 1.386,393 2.48,394 1.35,395 3.618,396 1.984,397 1,398 1.387,400 2.275,401 0.983,402 2.124,403 1.261,404 3.43,405 1.942,406 0.914,407 1,409 2.21,410 0.934,411 2,412 1.077,413 3.414,414 1.856,415 0.848,416 0.97,418 2.007,419 0.849,420 1.364,421 0.646,422 2.786,423 1.115,424 0.091,425 0.106,427 0.212,428 0.092,429 0.926,430 -0.03,431 2.343,432 0.631,433 -0.37,434 -0.411,436 -0.815,437 -0.368,438 0.744,439 -0.039,440 2.174,441 0.463,442 -0.585,443 -0.833,445 -1.379,446 -0.606,447 0.603,448 -0.672,449 2,450 0.126,451 -0.888,452 -1,454 -2.127,455 -0.897,457 -0.784,458 2,459 -0.049,460 -1,461 -1.156,463 -2.815,464 -0.946,465 -0.019,466 -0.872,467 1.64,468 -0.15,469 -1.111,470 -1.327,472 -3,473 -1.062,474 9.467,475 0.473,476 0.507,477 0.025,478 22,479 1.1,480 9,481 0.45,482 13,483 0.65,484 16.938,485 0.847,486 22.333,487 0.558,488 14.382,489 0.719,490 4.107,491 0.205,492 5.558,493 0.278,494 0.123,496 0.349,501 0.609,502 1.486,503 0.834,504 1.213,505 0.475,506 1.077,507 0.696,508 1.008,509 0.923,510 0.933,511 0.485,512 0.938,513 0.774,514 1.138,515 0.937,516 1.155,517 0.687,518 1.076,519 0.997,520 1.033,521 0.974,522 1.031,523 0.988,524 1.007,525 1.309,526 0.709,527 0.929,528 0.698,529 1.277,530 0.746,531 1.174,532 0.845,533 1.06,534 0.953,535 1.206,536 0.981,537 1.508,538 1.081,539 1.137,540 1.082,541 1.785,542 1.077,543 1.462,544 0.869,545 1.212,546 0.895,547 1.715,548 1.011,549 3.5,550 0.038,551 2.667,552 2.111,553 0.804,554 0.542,555 0.37,556 0.221,557 0.138,558 0.085,559 3859,560 8622,561 2.077,562 50,563 1,564 13,569 6,572 1.615,573 1.935,574 3.098,575 -0.787,577 1,579 1,582 58.439,583 1.461,584 2.934,585 3.809,586 4.115,587 4.253,588 4.253,589 2.471,590 3.622,591 4.295,592 3.225,593 612.837,594 7.324,595 6225.72,596 1,597 1,599 1,600 212.877,601 1.441,602 4.248,603 0.159,604 0.009,605 0.086,606 0.068,607 0.035,608 0.03,609 0.021,610 0.013,611 0.01,612 0.009,613 0.44,614 0.83,615 1,616 0.627,617 88.48,618 0.009,619 -0.244,620 0.066,621 -0.077,622 0.008,623 -0.014,624 0.086,625 0.161,626 0.023,627 0.084,628 0.054,629 0.054,630 0.012,631 -0.116,632 0.006,633 -0.136,634 0.065,635 -0.071,636 0.073,637 -0.127,638 0.018,639 -0.085,640 0.147,641 -0.047,642 -0.13,643 0.179,644 0.09,645 0.198,646 -0.086,647 0.182,648 -0.093,649 0.152,650 -0.074,651 0.019,652 -0.12,653 -0.015,654 -0.174,655 -0.145,656 -0.131,657 -0.092,658 -0.222,659 -0.109,660 -0.057,661 0.101,662 -0.188,663 0.048,664 -0.207,665 -0.078,666 1.793,667 5.229,668 0.75,669 13.2,670 0.995,671 1.129,672 2.414,673 5.827,674 0.644,675 3.135,676 3.466,677 3.761,678 4.007,679 4.19,680 4.127,681 4.159,682 4.248,683 4.248,684 4.174,685 5.167,686 0.605,687 272.38,688 3.135,689 4.673,690 5.533,691 6.415,692 7.295,693 8.184,694 9.072,695 9.966,696 10.86,697 11.757,698 5,701 1,705 1,715 4,720 2,722 6,741 40,743 8,744 1,745 22,747 42,748 16,749 6,750 2,751 4,752 2,756 3,757 4,767 2,768 1,770 3,772 8,773 8,774 1,777 2,782 2,786 2,789 1,790 1,793 20,794 4,796 4,802 2,805 1,808 0.667,809 2,828 1,829 2,832 1,855 1,859 2,864 1,868 20,876 6,880 1,881 2,893 5,896 2,901 10.333,902 7.4,903 4.389,904 2.621,907 1.368,908 1.205,909 0.966,910 3.686,911 8.046,912 3.332,913 3.818,914 4.341,915 4.819,916 5.233,917 5.267,918 5.506,919 5.602,920 5.674,921 5.377,922 0.833,923 31,924 7.489,926 3.257,927 0.026,929 7.75,931 14.569,933 12.43,936 2.25,937 45,938 0.001,941 235.422,942 76.003,943 6.249,945 50.29,948 76.003,949 285.712,950 6.249,951 8.396,952 17.045,953 37.905,954 59.699,955 9.495,957 235.422,959 235.422,960 82.251,961 50.29,964 164.795,965 120.916,968 20.169,969 62.082,972 235.422,973 56.538,974 76.003,977 235.422,978 29.701,979 52.55,981 50.29,982 235.422,983 56.538,984 76.003,986 0.586,987 0.352,988 0.188,989 0.101,990 16,991 7,992 0.071,993 3,994 1,995 1.133,996 3.263,997 150.361,998 0.133,999 15,1000 69.684,1005 13.475,1006 5.471,1007 2.57,1009 56.538,1010 7.102,1015 1.113,1018 367.963,1019 27,1024 24.458,1028 -0.253,1031 39.811,1032 45.152,1034 0.275,1035 0.551,1036 0.716,1037 0.773,1038 0.799,1039 0.799,1040 4.59,1041 0.914,1042 5.525,1043 2.275,1044 4.143,1045 4.5,1046 1.911,1047 6.358,1048 4.108,1049 5.753,1050 0.848,1051 7.102,1052 2.21,1053 3.761,1054 4.248,1055 0.57,1056 7.326,1057 3.706,1058 7.043,1059 0.091,1060 8.784,1061 2.007,1062 5.753,1063 6.525,1064 2.088,1065 10.463,1066 5.682,1067 8.369,1068 -0.37,1069 10.529,1070 0.212,1071 6.217,1072 7.145,1073 1.045,1074 12.319,1075 6.135,1076 9.736,1077 -0.585,1078 12.315,1079 -0.815,1080 7.69,1081 8.931,1082 2.422,1083 15,1084 7.593,1085 11.133,1086 -0.888,1087 14.131,1088 -1.379,1089 8.553,1090 9.969,1091 1.661,1092 17.227,1093 8.45,1094 12.555,1095 -1,1096 15.97,1097 -2.127,1098 9.834,1099 11.561,1100 2.848,1101 19.762,1102 9.716,1103 3.302,1104 -1.111,1105 17.827,1106 -2.815,1107 10.881,1108 12.8,1109 2.329,1110 22.135,1111 10.758,1112 2.62,1113 11.689,1114 19.699,1115 -3,1116 12.095,1117 14.306,1118 3.33,1119 24.621,1120 11.959,1121 2.246,1122 7.377,1123 21.584,1124 4.146,1125 13.224,1126 15.64,1127 3,1128 27.048,1129 13.081,1130 2.056,1131 7.025,1132 23.48,1133 2.821,1134 14.417,1135 17.105,1136 3.848,1137 29.517,1138 14.263,1139 2.026,1140 6.426,1141 25.383,1142 2.65,1143 15.582,1144 18.483,1145 3.66,1146 31.964,1147 15.418,1148 1.401,1149 5.677,1150 27.294,1151 2.604,1152 16.771,1153 19.928,1154 4.388,1155 34.426,1156 16.596,1157 1,1158 3.061,1159 29.211,1160 2.109,1161 17.95,1162 21.328,1163 4.308,1164 36.881,1165 17.766,1166 3754,1167 5744,1168 14.622,1169 25.773,1170 33.535,1171 35.221,1172 34.489,1173 33.072,1174 33.005,1175 39.386,1176 5.898,1177 95.921,1178 32.473,1179 5.586,1180 5.952,1181 6.643,1182 5.327,1183 5.302,1184 7.146,1185 2.549,1186 18.827,1187 5.263,1188 9.234,1189 1.524,1190 1.601,1191 1.568,1192 1.503,1193 1.5,1194 1.79,1195 0.268,1196 4.36,1197 1.476,1198 4.027,1199 4.052,1200 3.989,1201 3.931,1202 7.447,1203 3.94,1204 3.872,1205 3.931,1206 3.746,1207 3.743,1208 7.408,1209 3.735,1210 3.532,1211 3.599,1212 3.423,1213 3.339,1214 4.688,1215 3.351,1216 3.309,1217 3.373,1218 3.17,1219 3.106,1220 4.373,1221 3.115,1222 3.111,1223 3.206,1224 2.973,1225 2.941,1226 4.017,1227 2.91,1228 3.038,1229 3.126,1230 2.866,1231 2.843,1232 3.743,1233 2.858,1234 3.014,1235 3.021,1236 2.802,1237 2.838,1238 3.622,1239 2.815,1240 2.642,1241 2.761,1242 2.491,1243 2.412,1244 3.48,1245 2.383,1246 0.208,1247 0.18,1248 0.317,1249 0.195,1250 0.15,1251 4.586,1252 0.188,1253 3.952,1254 0.061,1255 6.964,1256 0.531,1257 4.291,1258 0.148,1259 3.302,1260 4.146,1261 1.349,1262 11.689,1263 3.263,1264 1.887,1265 1.868,1266 2.085,1267 2.045,1268 1.476,1269 2.062,1270 1.873,1271 1.815,1272 1.986,1273 1.959,1274 1.085,1275 1.968,1276 1.533,1277 1.47,1278 1.764,1279 1.787,1280 1.042,1281 1.775,1282 1.259,1283 1.195,1284 1.546,1285 1.524,1286 0.825,1287 1.528,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.691,1293 1.429,1294 1.031,1295 0.994,1296 1.288,1297 1.284,1298 0.415,1299 1.302,1300 1.007,1301 0.951,1302 1.133,1303 1.198,1304 0.26,1305 1.168,1306 0.753,1307 0.674,1308 1.121,1309 0.99,1310 0.211,1311 1.041,1312 3.807,1314 5.13,1315 2.398,1316 6.655,1317 4.949,1318 8.268,1319 7.195,1320 9.926,1322 2.139,1328 6.055,1332 0.635,1333 3.751,1340 24.214,1341 58.439,1342 117.367,1343 152.348,1344 164.612,1345 170.122,1346 170.122,1347 37.39,1348 6.678,1349 42.31,1350 42.31,1351 17,1352 12.282,1353 3.17,1354 2.585,1355 30.071,1356 61,1357 66,1358 0.243,1359 149.012,1360 263.76,1361 355.349,1362 6351,1364 14.113,1365 0.706,1366 0.592,1367 14.113,1368 11.84,1369 9.665,1370 0.439,1371 0.332,1372 7.214,1373 9.331,1374 7.033,1375 5.815,1376 9.665,1377 7.303,1378 8.698,1379 0.281,1380 0.188,1381 8.698,1382 5.843,1383 7.62,1384 0.181,1385 0.107,1386 7.62,1387 4.477,1388 6.179,1389 0.114,1390 0.057,1391 6.179,1392 3.105,1393 4.928,1394 0.076,1395 0.035,1396 4.928,1397 2.306,1398 0.377,1399 60.377,1400 0.262,1401 19.897,1402 0.678,1403 106,1404 286.761,1405 114.925,1406 274.826,1407 369.82,1408 256,1409 126,1410 264.554,1411 135.98,1412 268.688,1413 397.25,1414 252,1415 9.046}
{0 CHEMBL345849,1 1.569,2 13.37,3 0.448,4 0.201,5 102.728,6 6.991,7 0.172,8 4.06,9 4.197,10 3.562,11 3.505,12 5.139,13 3.493,14 4.642,15 4.849,16 3.872,17 3.899,18 5.572,19 3.856,20 4.932,21 5.181,22 3.849,23 4.03,24 5.861,25 3.927,26 4.952,27 5.225,28 3.807,29 4.021,30 5.923,31 3.888,32 4.874,33 5.152,34 3.697,35 3.922,36 5.771,37 3.799,38 4.742,39 5.004,40 3.522,41 3.793,42 5.759,43 3.672,44 4.568,45 4.83,46 3.466,47 3.667,48 5.545,49 3.542,50 4.514,51 4.777,52 3.434,53 3.583,54 5.446,55 3.485,56 0.047,57 0.804,58 12.059,59 4.296,60 16.667,61 6.369,62 0.244,63 1.244,64 23.266,65 6.943,66 22.12,67 10.824,68 0.559,69 1.43,70 32.788,71 9.485,72 55.147,73 14.771,74 0.487,75 1.428,76 33.439,77 10.534,78 72.135,79 16.204,80 0.399,81 1.29,82 31.206,83 9.126,84 52.364,85 14.441,86 0.506,87 1.139,88 27.451,89 7.387,90 72.543,91 11.755,92 0.343,93 0.986,94 22.511,95 7.051,96 47.734,97 10.931,98 0.314,99 0.898,100 21.672,101 6.243,102 37.187,103 9.775,104 15,105 38,106 0.263,107 0.569,108 0.723,109 0.821,110 0.84,111 0.846,112 3.339,113 0.974,114 -0.35,115 -0.48,116 -0.64,121 35.8,123 2,127 8,129 1,138 1,141 1,144 2,154 2,160 2,176 1,180 7,183 1,185 3,187 1,191 1,192 1,195 2,197 1,205 3,206 1,209 3,211 1,219 2,223 1,224 1,227 2,231 1,232 1,235 1,239 2,244 1,247 3,249 1,256 1,259 1,261 4,264 1,268 1,274 1,277 1,281 1161,282 18.602,283 18.602,284 18.602,285 18.602,286 18.602,287 17.539,288 30.368,289 11.178,290 19.004,291 14.202,292 14.202,293 14.202,294 14.202,295 14.202,296 12.361,297 42.476,298 5.15,299 14.874,300 4.159,301 2.335,302 1.415,303 0.83,304 0.717,305 0.679,306 4.021,311 1,312 1,313 762,314 3.606,317 174.024,318 100.667,325 2.181,326 27.577,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 59,338 361,339 4.392,340 4.259,341 6.5,342 3.96,343 3.018,344 3.798,345 2.689,346 10.151,347 2.846,348 4.129,349 3.869,350 5.723,351 3.777,352 2.797,353 3.736,354 1.539,355 8.121,356 2.751,357 3.615,358 3.209,359 5.38,360 3.511,361 2.556,362 2.658,363 0.916,364 7.082,365 2.43,366 3.581,367 3.073,368 5.201,369 3.134,370 2.178,371 2.465,372 0.886,373 6.153,374 2.077,375 3.303,376 2.804,377 4.972,378 3.09,379 2.137,380 2.369,381 0.657,382 5.92,383 2.035,384 3.263,385 2.499,386 4.691,387 2.766,388 1.816,389 1.971,390 0.4,391 5.106,392 1.715,393 2.948,394 2.282,395 3.999,396 2.455,397 1.507,398 1.61,399 0.172,400 3.401,401 1.424,402 2.81,403 2.142,404 3.538,405 2.03,406 1.111,407 1.303,409 2.582,410 1.019,411 2.465,412 1.758,413 3.414,414 1.984,415 1,416 1.2,418 2.275,419 0.983,420 2.226,421 1.456,422 3.398,423 1.878,424 0.928,425 1.097,427 2.131,428 0.879,429 2.102,430 1.077,431 3.275,432 1.736,433 0.744,434 1.03,436 1.764,437 0.738,438 2,439 1.069,440 2.93,441 1.547,442 0.618,443 1,445 0.791,446 0.572,447 1.526,448 0.855,449 2.727,450 1.28,451 0.328,452 0.35,454 0.766,455 0.311,456 1.393,457 0.528,458 2.618,459 1.063,460 0.121,461 0.127,463 0.285,464 0.113,465 1.189,466 0.404,467 2.313,468 0.669,469 -0.259,470 -0.418,472 -0.361,473 -0.239,474 12.567,475 0.465,476 0.482,477 0.018,478 29.25,479 1.083,480 11,481 0.407,482 18.25,483 0.676,484 24.534,485 0.909,486 30.633,487 0.578,488 20.564,489 0.762,490 5.703,491 0.211,492 7.487,493 0.277,494 0.09,496 0.263,501 0.986,502 1.597,503 0.872,504 1.274,505 0.609,506 1.083,507 1.129,508 1.183,509 1.018,510 1.085,511 0.546,512 1.025,513 1.196,514 1.009,515 1.084,516 0.999,517 0.719,518 1.031,519 0.715,520 0.965,521 0.906,522 1.056,523 0.58,524 1.03,525 0.992,526 0.973,527 0.931,528 0.96,529 0.81,530 0.944,531 1.36,532 0.882,533 1.238,534 0.958,535 1.552,536 1.062,537 0.679,538 1.047,539 0.959,540 1.136,541 0.703,542 1.099,543 1.114,544 0.946,545 0.932,546 0.938,547 0.823,548 0.914,549 5,550 0.114,551 2.444,552 1.569,553 1.002,554 0.543,555 0.384,556 0.177,557 0.207,558 0.106,559 10301,560 27587,561 2.057,562 49.1,564 19,567 3,570 4,572 1.692,573 1.952,574 3.688,575 0.981,577 1,582 83.148,583 1.569,584 3.393,585 4.312,586 4.898,587 5.011,588 5.049,589 3.102,590 4.385,591 4.729,592 3.888,593 1364.52,594 8.161,595 19170.3,597 1,600 303.58,601 1.277,602 4.698,603 0.172,604 0.006,605 0.064,606 0.045,607 0.03,608 0.018,609 0.016,610 0.008,611 0.009,612 0.005,613 0.374,614 0.33,615 1,616 0.983,617 138.809,618 -0.087,619 -0.282,620 0.043,621 -0.097,622 0.044,623 -0.018,624 -0.132,625 -0.022,626 -0.056,627 -0.049,628 -0.008,629 -0.033,630 -0.076,631 -0.025,632 -0.092,633 -0.01,634 0.017,635 -0.054,636 0.138,637 -0.024,638 0.06,639 -0.057,640 0.164,641 -0.027,642 -0.05,643 -0.054,644 0.05,645 0.019,646 -0.064,647 0.045,648 -0.2,649 0.093,650 -0.234,651 -0.015,652 -0.289,653 -0.114,654 0.175,655 -0.073,656 0.002,657 -0.125,658 0.084,659 -0.093,660 -0.03,661 -0.011,662 0.063,663 0.042,664 -0.033,665 0.067,666 1.534,667 3.571,668 0.593,669 28.741,670 1.002,671 1.143,672 -0.882,673 0.778,674 0.633,675 3.401,676 3.664,677 3.892,678 4.094,679 4.127,680 4.078,681 4.111,682 4.127,683 4.205,684 4.304,685 7.901,686 0.6,687 370.51,688 3.401,689 4.905,690 5.727,691 6.572,692 7.408,693 8.256,694 9.097,695 9.945,696 10.789,697 11.637,698 11.3,700 2,701 2,707 2,715 2,718 1,720 2,722 5,741 53,743 8,745 29,747 55,748 19,749 4,756 3,757 3,767 3,770 3,771 2,772 6,773 11,777 1,786 2,789 1,790 1,792 1,793 26,794 8,795 3,796 8,802 6,808 1,809 2,811 1,828 2,829 1,838 2,850 1,853 2,855 2,857 1,859 3,868 27,875 1,876 10,877 2,880 1,881 2,885 2,889 2,891 2,893 3.8,894 1,898 1,901 13.833,902 9.167,903 6.222,904 3.286,907 1.58,908 1.222,909 0.922,910 7.144,911 8.699,912 3.624,913 4.012,914 4.487,915 4.913,916 4.957,917 4.996,918 5.113,919 5.153,920 5.324,921 5.612,922 0.889,923 35,924 9.977,926 4.142,927 0.026,929 7.815,931 19.247,933 15.693,936 2.315,937 62.5,941 270.735,942 90.482,943 104.389,945 52.191,948 90.482,949 322.926,950 104.389,952 21.915,953 97.657,954 33.203,955 83.388,956 10.898,957 270.735,959 270.735,960 194.871,961 52.191,964 223.651,965 56.592,966 42.683,968 126.304,969 68.567,972 270.735,973 156.58,974 90.482,977 270.735,978 38.326,979 25.201,980 69.225,981 114.309,982 270.735,983 156.58,984 90.482,986 0.562,987 0.332,988 0.179,989 0.086,990 16,991 7,992 0.127,993 7,995 1,996 4.084,997 208.189,999 16,1000 120.382,1005 19.728,1006 9.778,1007 5.477,1009 156.58,1010 4.007,1013 5.891,1015 1.844,1017 78.705,1018 517.797,1019 36.5,1028 0.766,1031 53.101,1032 60.561,1034 0.274,1035 0.592,1036 0.753,1037 0.855,1038 0.875,1039 0.881,1040 4.877,1041 1.111,1042 5.673,1043 3.401,1044 4.344,1045 4.696,1046 3.185,1047 6.412,1048 4.254,1049 6.03,1050 1,1051 7.185,1052 2.582,1053 3.761,1054 4.248,1055 0.57,1056 7.182,1057 3.622,1058 7.3,1059 0.928,1060 8.793,1061 2.275,1062 5.866,1063 6.673,1064 4.78,1065 10.233,1066 5.692,1067 8.6,1068 0.744,1069 10.46,1070 2.131,1071 6.155,1072 7.171,1073 0.637,1074 11.879,1075 5.93,1076 9.935,1077 0.618,1078 12.168,1079 1.764,1080 7.655,1081 8.981,1082 6.667,1083 14.422,1084 7.395,1085 11.293,1086 0.328,1087 13.904,1088 0.791,1089 8.346,1090 9.911,1091 0.607,1092 16.44,1093 8.036,1094 12.671,1095 0.121,1096 15.661,1097 0.766,1098 9.6,1099 11.464,1100 8.619,1101 18.822,1102 9.251,1103 3.018,1104 -0.259,1105 17.436,1106 0.285,1107 10.488,1108 12.6,1109 0.548,1110 21.003,1111 10.088,1112 2.797,1113 10.151,1114 19.225,1115 -0.361,1116 11.637,1117 14.035,1118 10.59,1119 23.333,1120 11.195,1121 2.556,1122 8.121,1123 21.025,1124 3.798,1125 12.623,1126 15.27,1127 0.481,1128 25.587,1129 12.129,1130 2.178,1131 7.082,1132 22.836,1133 3.736,1134 13.729,1135 16.65,1136 12.566,1137 27.902,1138 13.19,1139 2.137,1140 6.153,1141 24.655,1142 2.658,1143 14.763,1144 17.932,1145 0.415,1146 30.188,1147 14.171,1148 1.816,1149 5.92,1150 26.481,1151 2.465,1152 15.853,1153 19.285,1154 14.544,1155 32.501,1156 15.212,1157 1.507,1158 5.106,1159 28.314,1160 2.369,1161 16.912,1162 20.59,1163 0.355,1164 34.802,1165 16.218,1166 10002,1167 16492,1168 19.474,1169 33.557,1170 44.262,1171 46.609,1172 43.357,1173 41.772,1174 41.718,1175 49.427,1176 14.521,1177 113.059,1178 39.785,1179 5.392,1180 6.152,1181 6.189,1182 5.018,1183 5.018,1184 6.553,1185 5.379,1186 16.833,1187 4.782,1188 12.42,1189 1.526,1190 1.607,1191 1.495,1192 1.44,1193 1.439,1194 1.704,1195 0.501,1196 3.899,1197 1.372,1198 3.983,1199 4.019,1200 3.918,1201 3.819,1202 6.856,1203 3.838,1204 3.881,1205 3.938,1206 3.825,1207 3.711,1208 6.782,1209 3.733,1210 3.801,1211 3.846,1212 3.685,1213 3.642,1214 6.449,1215 3.644,1216 3.524,1217 3.595,1218 3.427,1219 3.344,1220 5.039,1221 3.354,1222 3.401,1223 3.469,1224 3.278,1225 3.209,1226 4.512,1227 3.213,1228 3.222,1229 3.296,1230 3.069,1231 3.016,1232 4.242,1233 3.014,1234 3.111,1235 3.206,1236 2.915,1237 2.941,1238 4.17,1239 2.91,1240 3.008,1241 3.103,1242 2.866,1243 2.771,1244 3.627,1245 2.768,1246 0.151,1247 0.147,1248 0.224,1249 0.137,1250 0.104,1251 4.392,1252 0.131,1253 4.259,1254 0.093,1255 6.5,1256 0.35,1257 3.96,1258 0.098,1259 3.018,1260 3.798,1261 2.689,1262 10.151,1263 2.846,1264 1.823,1265 1.766,1266 2.03,1267 2.021,1268 1.381,1269 2.027,1270 1.705,1271 1.654,1272 1.89,1273 1.917,1274 1.173,1275 1.912,1276 1.601,1277 1.559,1278 1.749,1279 1.776,1280 1.002,1281 1.753,1282 1.525,1283 1.477,1284 1.711,1285 1.724,1286 0.921,1287 1.733,1288 1.475,1289 1.423,1290 1.661,1291 1.678,1292 0.851,1293 1.682,1294 1.309,1295 1.242,1296 1.531,1297 1.522,1298 0.825,1299 1.53,1300 1.153,1301 1.064,1302 1.513,1303 1.376,1304 0.62,1305 1.429,1306 1.022,1307 0.942,1308 1.315,1309 1.313,1310 0.486,1311 1.311,1312 4.078,1314 5.352,1315 3.045,1316 6.801,1317 5.283,1318 8.33,1319 7.261,1320 9.902,1327 9.571,1328 7.885,1329 6.455,1332 -0.156,1333 4.325,1338 18.033,1339 3.879,1340 31.826,1341 83.148,1342 179.831,1343 228.56,1344 259.58,1345 265.58,1346 267.58,1347 53.687,1348 7.12,1349 111.49,1350 111.49,1351 16,1352 12.197,1353 3.17,1354 3.087,1355 47.468,1356 131,1357 119,1358 0.175,1359 199.111,1360 354.38,1361 477.591,1362 13258,1364 19.062,1365 0.706,1366 0.572,1367 19.062,1368 15.447,1369 13.19,1370 0.455,1371 0.325,1372 9.249,1373 12.566,1374 9.107,1375 7.476,1376 13.19,1377 9.413,1378 11.123,1379 0.293,1380 0.182,1381 11.123,1382 6.913,1383 9.261,1384 0.193,1385 0.103,1386 9.261,1387 4.962,1388 7.469,1389 0.127,1390 0.059,1391 7.469,1392 3.46,1393 5.24,1394 0.086,1395 0.037,1396 5.24,1397 2.245,1398 0.288,1399 83.384,1400 0.227,1401 26.848,1402 0.443,1403 134,1404 395.131,1405 149.359,1406 381.46,1407 507.36,1408 356,1409 153,1410 358.109,1411 169.305,1412 360.001,1413 517.65,1414 338,1415 6.409}
{0 CHEMBL345905,1 1.279,2 7.889,3 3.019,4 9.114,5 74.575,6 6.241,7 0.3,8 3.728,9 3.859,10 3.161,11 3.308,12 4.613,13 3.239,14 4.352,15 4.555,16 3.515,17 3.763,18 5.133,19 3.662,20 4.676,21 4.916,22 3.527,23 3.926,24 5.465,25 3.769,26 4.767,27 5.057,28 3.289,29 3.836,30 5.513,31 3.628,32 4.577,33 4.884,34 3.143,35 3.621,36 5.297,37 3.425,38 4.353,39 4.622,40 3.033,41 3.463,42 5.173,43 3.292,44 4.192,45 4.467,46 2.892,47 3.305,48 5.024,49 3.134,50 3.957,51 4.225,52 2.599,53 3.125,54 4.72,55 2.921,56 0.038,57 0.538,58 9.409,59 4.093,60 4.926,61 5.761,62 0.117,63 0.945,64 17.733,65 7.043,66 9.696,67 10.174,68 0.154,69 1.196,70 24.317,71 9.896,72 18.371,73 14.071,74 0.208,75 1.196,76 26.487,77 10.435,78 33.314,79 14.872,80 0.174,81 0.978,82 21.834,83 8.401,84 24.014,85 12.099,86 0.16,87 0.803,88 17.677,89 6.66,90 22.064,91 9.487,92 0.193,93 0.694,94 15.085,95 5.495,96 22.123,97 7.995,98 0.059,99 0.566,100 11.557,101 4.735,102 11.622,103 6.869,104 5,105 28,106 0.233,107 0.532,108 0.756,109 0.819,110 0.828,111 0.828,112 2.961,113 1.057,114 -4.29,115 -4.23,116 -3.99,121 41,123 4,124 2,126 1,127 2,144 4,145 2,159 1,176 12,180 4,187 15,192 5,200 12,206 4,214 9,219 4,227 8,232 1,239 6,243 1,244 2,251 4,256 2,269 2,281 348,282 12.223,283 12.223,284 12.223,285 12.223,286 12.223,287 11.405,288 13.44,289 7.211,290 12.315,291 9.872,292 9.872,293 9.872,294 9.872,295 9.872,296 8.594,297 13.665,298 3.453,299 9.986,300 4.006,301 2.365,302 1.135,303 0.789,304 0.737,305 0.737,306 3.64,310 1,311 1,312 1,313 310,314 2,317 33.936,318 97.636,321 66.87,325 1.136,326 12.122,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 37.5,338 142,339 4.449,340 3.785,341 6.686,342 4.186,343 3.172,344 4.005,345 1.277,346 10.754,347 3.214,348 3.669,349 2.802,350 5.632,351 3.599,352 2.622,353 2.814,354 0.8,355 7.588,356 2.57,357 3.46,358 2.676,359 5.302,360 3.212,361 2.24,362 2.569,364 6.506,365 2.184,366 3.112,367 2.348,368 4.911,369 2.948,370 1.965,371 2.165,373 5.602,374 1.912,375 2.938,376 1.89,377 4.732,378 2.674,379 1.669,380 2.059,382 4.925,383 1.673,384 2.733,385 1.436,386 3.631,387 2.355,388 1.356,389 1.792,391 2.97,392 1.355,393 2.267,394 1.31,395 3.446,396 1.984,397 1,398 1.086,400 2.275,401 0.983,402 2,403 1.077,404 3.414,405 1.821,406 0.779,407 1,409 1.885,410 0.806,411 1.289,412 0.361,413 2.94,414 1.181,415 0.191,416 0.199,418 0.469,419 0.188,420 0.973,421 0.206,422 2.305,423 0.712,424 -0.305,425 -0.349,427 -0.704,428 -0.306,429 0.64,430 -0.395,431 2,432 0.29,433 -0.727,434 -0.892,436 -1.797,437 -0.735,438 0.402,439 -0.778,440 2,441 0.129,442 -0.865,443 -1,445 -2.147,446 -0.858,447 0.123,448 -0.784,449 2,450 -0.049,451 -1,452 -1.134,454 -3,455 -0.946,457 -0.925,458 1.683,459 -0.171,460 -1.176,461 -1.369,463 -3.049,464 -1.16,465 -0.282,466 -1.111,467 1.268,468 -0.422,469 -1.399,470 -1.612,472 -3.585,473 -1.384,474 8.733,475 0.485,476 0.435,477 0.024,478 18.5,479 1.028,480 7.5,481 0.417,482 11,483 0.611,484 16.344,485 0.908,486 20.067,487 0.515,488 10.127,489 0.563,490 3.18,491 0.177,492 5.558,493 0.309,494 0.095,496 0.332,501 0.622,502 1.302,503 0.943,504 1.155,505 0.496,506 1.086,507 0.915,508 1.008,509 1.03,510 0.992,511 0.541,512 1.001,513 0.9,514 1.125,515 1.092,516 1.169,517 0.842,518 1.147,519 1.088,520 0.96,521 1.002,522 1,523 1.217,524 1,525 1.007,526 0.821,527 0.843,528 0.841,529 1.087,530 0.833,531 1.487,532 0.996,533 1.06,534 0.983,535 1.695,536 0.993,537 1.289,538 0.925,539 1.041,540 0.902,541 1.452,542 0.947,543 0.494,544 1.309,545 1.086,546 1.285,547 0.459,548 1.242,549 3.5,550 0.02,551 2,552 1.514,553 0.764,554 0.476,555 0.278,556 0.124,557 0.11,558 0.047,559 2891,560 5409,561 2.12,562 53.8,563 5,564 11,568 1,569 4,572 1.585,573 2,574 2.993,575 -0.873,577 1,579 1,582 49.892,583 1.279,584 2.92,585 4.15,586 4.497,587 4.548,588 4.548,589 2.441,590 3.948,591 4.143,592 3.083,593 471.689,594 7.02,595 4380.43,596 1,597 1,599 1,600 206.131,601 1.352,602 4.109,603 0.175,604 0.01,605 0.071,606 0.058,607 0.04,608 0.028,609 0.019,610 0.01,611 0.012,612 0.012,613 0.435,614 0.83,615 1,616 0.584,617 75.968,618 0.034,619 -0.092,620 0.068,621 -0.003,622 0.022,623 0.026,624 -0.085,625 0.137,626 -0.025,627 0.054,628 0.004,629 0.03,630 -0.029,631 -0.108,632 -0.118,633 -0.153,634 0.021,635 -0.141,636 -0.042,637 -0.05,638 -0.038,639 -0.043,640 -0.026,641 -0.041,642 0.016,643 0.079,644 0.118,645 0.095,646 0.012,647 0.113,648 -0.109,649 -0.053,650 -0.06,651 -0.026,652 -0.144,653 -0.04,654 0.042,655 0.043,656 -0.039,657 0.037,658 -0.096,659 -0.006,660 0.045,661 -0.338,662 -0.151,663 -0.291,664 0.032,665 -0.247,666 1.274,667 5.324,668 0.833,669 11.222,670 0.981,671 1.125,672 3.064,673 9.385,674 0.643,675 3.045,676 3.367,677 3.638,678 3.892,679 4.094,680 4.043,681 4.143,682 4.234,683 4.127,684 4.127,685 4.695,686 0.59,687 243.38,688 3.045,689 4.575,690 5.425,691 6.301,692 7.171,693 8.052,694 8.931,695 9.815,696 10.698,697 11.585,698 2.6,701 1,715 4,720 2,722 6,727 1,741 39,743 7,744 1,745 20,747 41,748 16,749 6,750 2,751 4,752 1,756 3,757 4,767 3,768 2,770 4,772 7,773 9,774 2,777 1,782 1,786 1,790 1,793 21,794 2,796 2,802 1,808 0.667,809 1,828 1,829 2,832 1,855 1,859 2,864 1,868 18,876 6,880 2,881 1,893 2.6,896 1,901 9,902 7.117,903 3.917,904 2.608,907 1.29,908 1.198,909 0.967,910 3.214,911 7.798,912 3.219,913 3.701,914 4.186,915 4.643,916 5.068,917 5.085,918 5.334,919 5.509,920 5.401,921 5.419,922 1,923 26,924 6.741,926 2.905,927 0.026,929 7.481,931 13.575,933 11.915,936 1.981,937 35.667,938 0.005,941 247.193,942 72.156,943 3.124,945 25.145,948 72.156,949 272.338,950 3.124,951 8.396,952 14.35,953 37.905,954 30.278,955 9.495,957 247.193,959 247.193,960 75.28,961 25.145,964 200.109,965 72.229,968 17.474,969 57.806,972 247.193,973 28.269,974 72.156,977 247.193,978 25.854,979 49.426,981 25.145,982 247.193,983 28.269,984 72.156,986 0.584,987 0.341,988 0.182,989 0.102,990 15,991 6,992 0.049,993 2,994 1,995 1.133,996 3.107,997 130.296,998 0.133,999 15,1000 71.059,1005 11.92,1006 4.853,1007 2.379,1009 28.269,1010 8.132,1015 2.246,1018 347.618,1019 24,1024 12.324,1028 0.393,1031 38.265,1032 43.86,1034 0.242,1035 0.553,1036 0.785,1037 0.851,1038 0.861,1039 0.861,1040 4.472,1041 0.779,1042 5.407,1043 2.275,1044 4.043,1045 4.382,1046 1.653,1047 6.209,1048 4.03,1049 5.621,1050 0.191,1051 6.959,1052 1.885,1053 3.611,1054 4.06,1055 0.325,1056 7.076,1057 3.599,1058 6.898,1059 -0.305,1060 8.612,1061 0.469,1062 5.624,1063 6.377,1064 1.915,1065 10.188,1066 5.61,1067 8.206,1068 -0.727,1069 10.323,1070 -0.704,1071 6.019,1072 6.91,1073 0.268,1074 11.925,1075 6.027,1076 9.554,1077 -0.865,1078 12.074,1079 -1.797,1080 7.507,1081 8.736,1082 2.299,1083 14.556,1084 7.513,1085 10.928,1086 -1,1087 13.854,1088 -2.147,1089 8.299,1090 9.69,1091 0.188,1092 16.668,1093 8.337,1094 12.326,1095 -1.176,1096 15.655,1097 -3,1098 9.574,1099 11.303,1100 2.732,1101 19.134,1102 9.614,1103 3.172,1104 -1.399,1105 17.474,1106 -3.049,1107 10.557,1108 12.468,1109 0.125,1110 21.402,1111 10.628,1112 2.622,1113 10.754,1114 19.308,1115 -3.585,1116 11.746,1117 13.977,1118 3.189,1119 23.81,1120 11.827,1121 2.24,1122 7.588,1123 21.153,1124 4.005,1125 12.819,1126 15.247,1127 0.082,1128 26.142,1129 12.925,1130 1.965,1131 6.506,1132 23.008,1133 2.814,1134 13.978,1135 16.702,1136 3.66,1137 28.529,1138 14.096,1139 1.669,1140 5.602,1141 24.871,1142 2.569,1143 15.091,1144 18.027,1145 0.054,1146 30.886,1147 15.232,1148 1.356,1149 4.925,1150 26.74,1151 2.165,1152 16.24,1153 19.452,1154 4.139,1155 33.265,1156 16.396,1157 1,1158 2.97,1159 28.615,1160 2.059,1161 17.373,1162 20.806,1163 0.035,1164 35.633,1165 17.547,1166 2804,1167 3898,1168 13.523,1169 25.074,1170 30.237,1171 30.907,1172 30.988,1173 30.01,1174 29.987,1175 35.379,1176 4.155,1177 85.947,1178 29.771,1179 5.449,1180 5.785,1181 6.367,1182 5.221,1183 5.172,1184 7.005,1185 2.555,1186 17.795,1187 5.214,1188 7.062,1189 1.512,1190 1.545,1191 1.549,1192 1.501,1193 1.499,1194 1.769,1195 0.208,1196 4.297,1197 1.489,1198 4.045,1199 4.072,1200 3.983,1201 3.979,1202 7.426,1203 3.977,1204 3.851,1205 3.911,1206 3.729,1207 3.724,1208 4.716,1209 3.716,1210 3.509,1211 3.567,1212 3.391,1213 3.376,1214 4.368,1215 3.371,1216 3.243,1217 3.324,1218 3.075,1219 3.043,1220 3.995,1221 3.037,1222 3.111,1223 3.206,1224 2.866,1225 2.941,1226 3.765,1227 2.91,1228 2.988,1229 3.029,1230 2.866,1231 2.845,1232 3.625,1233 2.842,1234 2.87,1235 2.971,1236 2.612,1237 2.682,1238 3.474,1239 2.651,1240 2.572,1241 2.643,1242 2.413,1243 2.334,1244 3.353,1245 2.325,1246 0.222,1247 0.189,1248 0.334,1249 0.209,1250 0.159,1251 4.449,1252 0.2,1253 3.785,1254 0.064,1255 6.686,1256 0.538,1257 4.186,1258 0.161,1259 3.172,1260 4.005,1261 1.277,1262 10.754,1263 3.214,1264 1.892,1265 1.869,1266 2.088,1267 2.044,1268 1.489,1269 2.062,1270 1.881,1271 1.828,1272 2.001,1273 1.961,1274 1.191,1275 1.975,1276 1.583,1277 1.533,1278 1.798,1279 1.767,1280 1.071,1281 1.78,1282 1.236,1283 1.147,1284 1.572,1285 1.481,1286 0.825,1287 1.515,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.746,1293 1.429,1294 1.036,1295 1,1296 1.312,1297 1.216,1298 0.509,1299 1.237,1300 0.901,1301 0.816,1302 1.189,1303 1.144,1304 0.317,1305 1.175,1306 0.73,1307 0.643,1308 1.079,1309 0.956,1310 0.203,1311 1.003,1312 3.714,1314 5.03,1315 2.398,1316 6.544,1317 4.844,1318 8.141,1319 7.018,1320 9.781,1322 2.187,1328 6.979,1332 1.014,1333 2.391,1340 23.004,1341 49.892,1342 113.889,1343 161.866,1344 175.376,1345 177.376,1346 177.376,1347 27.118,1348 6.507,1349 20.31,1350 20.31,1351 17,1352 12.117,1353 3,1354 2.322,1355 25.807,1356 50,1357 52,1358 0.259,1359 141.149,1360 246.61,1361 336.163,1362 5004,1364 12.535,1365 0.696,1366 0.615,1367 12.535,1368 11.062,1369 8.737,1370 0.437,1371 0.352,1372 6.995,1373 8.56,1374 6.789,1375 5.613,1376 8.737,1377 7.045,1378 7.925,1379 0.283,1380 0.211,1381 7.925,1382 5.905,1383 6.764,1384 0.183,1385 0.124,1386 6.764,1387 4.576,1388 5.478,1389 0.114,1390 0.071,1391 5.478,1392 3.407,1393 4.565,1394 0.077,1395 0.044,1396 4.565,1397 2.625,1398 0.396,1399 53.697,1400 0.272,1401 18.007,1402 0.734,1403 96,1404 203.381,1405 99.852,1406 200.289,1407 273.4,1408 188,1409 113,1410 195.397,1411 117.49,1412 202.212,1413 294.86,1414 190,1415 8.114}
{0 CHEMBL346399,1 1.6,2 8.625,3 2.1,4 4.408,5 61.871,6 6.947,7 0.313,8 3.546,9 3.679,10 3.033,11 2.915,12 4.76,13 2.913,14 4.035,15 4.25,16 3.218,17 3.214,18 5.012,19 3.181,20 4.158,21 4.377,22 3.207,23 3.329,24 5.128,25 3.244,26 4.282,27 4.535,28 3.177,29 3.277,30 5.271,31 3.178,32 4.164,33 4.434,34 3.032,35 3.105,36 5.224,37 3.028,38 4.074,39 4.325,40 2.736,41 3.017,42 5.108,43 2.896,44 3.825,45 4.106,46 2.567,47 2.922,48 4.682,49 2.765,50 3.744,51 4.036,52 2.449,53 2.786,54 4.688,55 2.639,56 0.087,57 0.442,58 7.379,59 2.405,60 16.253,61 3.652,62 0.289,63 0.62,64 13.176,65 3.418,66 18.717,67 5.444,68 0.209,69 0.673,70 14.621,71 4.744,72 21.673,73 7.026,74 0.369,75 0.665,76 17.309,77 4.518,78 29.618,79 7.366,80 0.296,81 0.551,82 15.618,83 3.779,84 36.33,85 6.19,86 0.439,87 0.487,88 14.603,89 3.695,90 46.816,91 5.669,92 0.128,93 0.444,94 10.622,95 3.311,96 18.365,97 5.293,98 0.159,99 0.386,100 10.031,101 2.862,102 20.92,103 4.623,104 22,105 19,106 0.306,107 0.676,108 0.856,109 0.868,110 0.88,111 0.88,112 2.849,113 0.96,114 -2.16,115 -2.21,116 -2.18,121 34.4,123 2,126 1,127 1,128 1,142 1,143 1,147 1,153 1,157 1,163 1,172 1,176 3,180 1,182 2,187 2,191 1,192 1,194 1,200 1,205 1,206 1,209 1,213 1,216 1,218 1,219 1,229 1,232 1,235 1,241 1,244 2,253 1,256 2,261 1,269 2,274 1,281 312,282 10.966,283 10.966,284 10.966,285 10.966,286 10.966,287 9.739,288 14.762,289 7.127,290 11.388,291 7.836,292 7.836,293 7.836,294 7.836,295 7.836,296 6.168,297 19.392,298 3.262,299 8.454,300 3.4,301 1.463,302 0.524,303 0.461,304 0.399,305 0.399,306 3.478,311 1,312 1,313 268,314 3.082,317 50.366,325 1.297,326 11.273,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 35.5,338 138,339 4.398,340 3.631,341 6.47,342 3.94,343 3.024,344 4.086,345 1.697,346 10.003,347 2.769,348 3.5,349 3.095,350 4.954,351 2.866,352 1.968,353 2.347,354 1.041,355 5.426,356 1.779,357 3.181,358 2.491,359 4.115,360 2.69,361 1.732,362 2.129,364 3.642,365 1.646,366 3.041,367 2.316,368 3.784,369 2.473,370 1.526,371 2.106,373 3.464,374 1.442,375 2.643,376 1.804,377 3.287,378 2.143,379 1.229,380 1.505,382 2.347,383 1.113,384 2.362,385 1.447,386 3.107,387 1.818,388 0.862,389 1.22,391 1.581,392 0.822,393 1.951,394 0.913,395 2.648,396 1.503,397 0.567,398 0.694,400 0.98,401 0.527,402 1.229,403 0.625,404 2,405 0.951,411 0.842,412 0.143,413 2,414 0.548,415 -0.398,416 -0.483,418 -0.664,419 -0.372,420 0.426,421 -0.278,422 1.725,423 0.082,424 -0.851,425 -1.046,427 -1.531,428 -0.792,429 0.253,430 -0.586,431 1.408,432 -0.079,433 -1,434 -1.233,436 -2.044,437 -0.925,438 -0.072,439 -0.993,440 1.078,441 -0.465,442 -1.386,443 -1.719,445 -3.086,446 -1.254,447 -0.313,448 -1.417,449 0.729,450 -0.725,451 -1.677,452 -2.113,454 -3.563,455 -1.554,456 -0.517,457 -1.524,458 0.407,459 -0.81,460 -1.732,461 -2.249,463 -4.633,464 -1.63,465 -0.535,466 -1.724,467 0.241,468 -0.956,469 -1.895,470 -2.537,471 -1.041,472 -5.423,473 -1.772,474 7.367,475 0.46,476 0.209,477 0.013,478 17,479 1.063,480 6.5,481 0.406,482 10.5,483 0.656,484 10.928,485 0.683,486 18.733,487 0.585,488 11.27,489 0.704,490 3.882,491 0.243,492 3.909,493 0.244,494 0.181,496 0.176,501 0.874,502 1.764,503 0.879,504 1.394,505 0.816,506 1.176,507 1.225,508 0.945,509 1.052,510 0.829,511 0.641,512 0.882,513 0.899,514 1.136,515 1.038,516 1.231,517 0.76,518 1.177,519 0.906,520 1.107,521 1.017,522 1.112,523 0.692,524 1.089,525 1.163,526 0.852,527 0.964,528 0.907,529 0.943,530 0.88,531 1.577,532 0.767,533 1.245,534 0.783,535 1.722,536 0.951,537 0.575,538 1.053,539 0.938,540 1.086,541 0.652,542 1.078,543 0.791,544 0.815,545 0.92,546 0.847,547 1.01,548 0.893,549 2,550 0.017,551 1.556,552 1.042,553 0.49,554 0.271,555 0.137,556 0.103,557 0.081,558 0.065,559 1873,560 5841,561 1.895,562 50,563 2,564 5,565 4,566 2,567 1,569 2,572 1.546,573 1.778,574 3.083,575 -0.168,577 1,578 1,579 1,582 51.191,583 1.6,584 3.537,585 4.476,586 4.539,587 4.601,588 4.601,589 2.531,590 3.875,591 3.962,592 3.215,593 385.741,594 6.654,595 3486.54,597 1,599 1,600 160,601 1.329,602 3.929,603 0.125,604 0.006,605 0.082,606 0.058,607 0.031,608 0.019,609 0.014,610 0.011,611 0.01,612 0.011,613 0.366,614 0.67,615 1,616 2.453,617 66.499,618 0.07,619 -0.452,620 0.048,621 -0.227,622 0.064,623 -0.122,624 -0.128,625 0.189,626 -0.066,627 0.141,628 -0.072,629 0.063,630 -0.025,631 -0.058,632 -0.103,633 -0.175,634 -0.079,635 -0.163,636 0.111,637 -0.144,638 -0.038,639 -0.175,640 0.023,641 -0.143,642 -0.05,643 0.06,644 0.042,645 -0.02,646 0.081,647 0.038,648 -0.169,649 0.077,650 -0.214,651 0.132,652 -0.235,653 -0.034,654 -0.006,655 -0.093,656 -0.032,657 -0.077,658 -0.025,659 -0.06,660 -0.069,661 0.093,662 0.02,663 0.107,664 -0.048,665 0.089,666 1.077,667 2.508,668 0.313,669 12.688,670 1.006,671 1.144,672 0.934,673 0.873,674 0.621,675 2.833,676 2.996,677 3.178,678 3.332,679 3.258,680 3.091,681 2.996,682 2.89,683 2.708,684 2.485,685 5.066,686 0.591,687 222.3,688 2.833,689 4.263,690 5.043,691 5.855,692 6.671,693 7.501,694 8.332,695 9.171,696 10.012,697 10.857,698 9.4,706 1,707 1,708 1,715 2,720 1,721 2,722 5,726 1,741 32,743 7,745 16,747 32,748 11,749 3,752 1,756 1,757 1,770 2,771 2,772 4,773 5,777 1,784 1,785 1,790 1,793 16,794 3,795 1,796 5,799 1,802 3,803 1,808 1,809 2,828 1,836 1,837 1,857 1,858 1,859 1,864 1,868 16,875 1,876 4,878 1,885 1,886 1,891 1,893 6.3,897 1,898 1,901 9,902 5.85,903 3.972,904 1.764,907 1.372,908 1.254,909 0.868,910 5.616,911 6.775,912 3.114,913 3.504,914 3.958,915 4.44,916 4.491,917 4.459,918 4.467,919 4.381,920 4.288,921 4.367,922 0.833,923 18,924 5.809,926 2.18,927 0.026,929 7.917,931 10.936,933 7.903,936 2.417,937 38.667,938 0.002,941 176.567,942 92.043,943 17.046,945 53.806,948 92.043,949 230.372,950 17.046,951 8.396,952 13.825,953 9.047,954 47.817,955 67,956 87.436,957 105.94,959 176.567,960 109.089,961 53.806,964 153.024,965 66.348,966 11,968 40.347,969 40.765,970 27.977,972 176.567,973 70.851,974 92.043,977 176.567,978 16.153,979 39.337,980 17.031,981 90.374,982 176.567,983 70.851,984 92.043,986 0.527,987 0.303,988 0.167,989 0.083,990 6,991 3,992 0.188,993 6,995 1,996 2.894,997 90.646,999 5,1000 64,1005 12.756,1006 7.043,1007 4,1009 67.053,1010 3.722,1015 0.763,1016 3.681,1017 42.806,1018 339.461,1019 21.5,1026 1.366,1027 3.009,1031 32.203,1032 36.613,1034 0.32,1035 0.707,1036 0.895,1037 0.908,1038 0.92,1039 0.92,1040 4.28,1042 4.949,1043 0.98,1044 3.664,1045 4.182,1046 2.189,1047 5.659,1048 3.51,1049 5.438,1050 -0.398,1051 6.441,1053 2.944,1054 3.726,1056 6.475,1057 2.682,1058 6.699,1059 -0.851,1060 8.056,1061 -0.664,1062 5.118,1063 6.236,1064 2.993,1065 9.59,1066 4.791,1067 8.004,1068 -1,1069 9.751,1070 -1.531,1071 5.398,1072 6.843,1074 11.371,1075 4.949,1076 9.348,1077 -1.386,1078 11.499,1079 -2.044,1080 6.936,1081 8.687,1082 3.938,1083 13.951,1084 6.425,1085 10.723,1086 -1.677,1087 13.283,1088 -3.086,1089 7.696,1090 9.772,1092 16.066,1093 7.072,1094 12.123,1095 -1.732,1096 15.092,1097 -3.563,1098 8.972,1099 11.353,1100 4.951,1101 18.471,1102 8.276,1103 3.024,1104 -1.895,1105 16.918,1106 -4.633,1107 9.94,1108 12.634,1110 20.704,1111 9.143,1112 1.968,1113 10.003,1114 18.755,1115 -5.423,1116 11.112,1117 14.111,1118 5.992,1119 23.047,1120 10.236,1121 1.732,1122 5.426,1123 20.601,1124 4.086,1125 12.164,1126 15.469,1128 25.323,1129 11.193,1130 1.526,1131 3.642,1132 22.452,1133 2.347,1134 13.297,1135 16.905,1136 7.044,1137 27.641,1138 12.241,1139 1.229,1140 3.464,1141 24.308,1142 2.129,1143 14.382,1144 18.292,1146 29.933,1147 13.236,1148 0.862,1149 2.347,1150 26.167,1151 2.106,1152 15.498,1153 19.712,1154 8.099,1155 32.243,1156 14.266,1157 0.567,1158 1.581,1159 28.028,1160 1.505,1161 16.596,1162 21.111,1164 34.541,1165 15.275,1166 2067,1167 3708,1168 10.227,1169 19.875,1170 23.342,1171 24.545,1172 23.479,1173 21.872,1174 21.815,1175 28.174,1176 5.476,1177 54.884,1178 20.197,1179 5.289,1180 5.477,1181 6.423,1182 5.021,1183 4.992,1184 6.793,1185 3.394,1186 16.5,1187 4.569,1188 8.425,1189 1.459,1190 1.534,1191 1.467,1192 1.367,1193 1.363,1194 1.761,1195 0.342,1196 3.43,1197 1.262,1198 4.027,1199 4.091,1200 3.979,1201 3.806,1202 6.546,1203 3.842,1204 3.676,1205 3.729,1206 3.542,1207 3.555,1208 5.429,1209 3.543,1210 3.328,1211 3.385,1212 3.21,1213 3.111,1214 4.864,1215 3.122,1216 3.25,1217 3.316,1218 3.156,1219 2.953,1220 4.494,1221 2.988,1222 3.11,1223 3.196,1224 2.919,1225 2.9,1226 4.04,1227 2.892,1228 2.859,1229 2.95,1230 2.613,1231 2.641,1232 3.818,1233 2.621,1234 2.526,1235 2.64,1236 2.276,1237 2.276,1238 3.649,1239 2.248,1240 2.4,1241 2.461,1242 2.152,1243 1.929,1244 3.155,1245 1.994,1246 0.275,1247 0.227,1248 0.404,1249 0.246,1250 0.189,1251 4.398,1252 0.255,1253 3.631,1254 0.106,1255 6.47,1256 0.625,1257 3.94,1258 0.173,1259 3.024,1260 4.086,1261 1.697,1262 10.003,1263 2.769,1264 1.696,1265 1.645,1266 1.915,1267 1.933,1268 1.18,1269 1.91,1270 1.628,1271 1.563,1272 1.794,1273 1.842,1274 0.924,1275 1.844,1276 1.535,1277 1.47,1278 1.717,1279 1.749,1280 0.829,1281 1.752,1282 1.212,1283 1.163,1284 1.447,1285 1.459,1286 0.492,1287 1.441,1288 1.045,1289 0.96,1290 1.342,1291 1.354,1292 0.353,1293 1.355,1294 0.876,1295 0.786,1296 1.234,1297 1.136,1298 0.3,1299 1.18,1300 0.583,1301 0.48,1302 1.007,1303 0.93,1305 0.941,1306 0.411,1307 0.308,1308 0.766,1309 0.802,1311 0.829,1312 3.497,1314 4.691,1315 2.398,1316 6.075,1317 4.727,1318 7.563,1319 6.783,1320 9.114,1322 1.867,1327 8.508,1328 2.631,1330 5.433,1337 5.13,1339 2.557,1340 18.918,1341 51.191,1342 113.191,1343 143.245,1344 145.245,1345 147.245,1346 147.245,1347 24.384,1348 5.403,1349 50.63,1350 50.63,1351 5,1352 11.42,1353 3,1354 2.7,1355 34.776,1356 46,1357 56,1358 0.37,1359 124.095,1360 214.3,1361 294.551,1362 1140,1364 11.803,1365 0.738,1366 0.587,1367 11.803,1368 9.388,1369 7.791,1370 0.487,1371 0.32,1372 4.992,1373 7.282,1374 4.862,1375 4.103,1376 7.791,1377 5.121,1378 5.97,1379 0.314,1380 0.181,1381 5.97,1382 3.442,1383 4.63,1384 0.201,1385 0.098,1386 4.63,1387 2.256,1388 3.592,1389 0.133,1390 0.052,1391 3.592,1392 1.403,1393 2.443,1394 0.098,1395 0.03,1396 2.443,1397 0.74,1398 0.583,1399 50.292,1400 0.313,1401 16.716,1402 0.993,1403 70,1404 241.508,1405 80.035,1406 229.241,1407 296.3,1408 212,1409 77,1410 204.86,1411 88.008,1412 206.337,1413 285.15,1414 189,1415 4.554}
{0 CHEMBL346605,1 1.287,2 3.75,3 2.522,4 6.359,5 31.316,6 7.343,7 0.75,8 2.776,9 2.89,10 2.32,11 2.396,12 3.97,13 2.35,14 3.216,15 3.393,16 2.573,17 2.657,18 4.443,19 2.595,20 3.35,21 3.557,22 2.379,23 2.585,24 4.61,25 2.484,26 3.202,27 3.51,28 1.592,29 2.115,30 4.185,31 1.903,32 2.516,33 2.881,34 1.062,35 1.286,36 3.401,37 1.096,38 1.631,39 1.888,40 0.336,41 0.31,42 3.219,43 0.413,56 0.003,57 0.249,58 2.869,59 1.566,60 2.197,61 1.899,62 0.016,63 0.378,64 5.051,65 2.419,66 5.654,67 2.991,68 0.069,69 0.43,70 6.368,71 2.676,72 15.876,73 3.138,74 0.089,75 0.297,76 6.235,77 2.218,78 19.753,79 2.869,80 0.032,81 0.129,82 3.216,83 1.051,84 7.593,85 1.503,86 0.083,87 0.092,88 1.535,89 0.297,90 16.296,91 0.016,104 5,105 10,106 0.309,107 0.605,108 0.669,109 0.733,110 0.733,111 0.733,112 2.262,113 0.941,114 -4.28,115 -4.21,116 -3.98,121 46.7,122 1,144 4,145 1,146 1,176 5,187 6,200 4,281 12,282 5.138,283 5.138,284 5.138,285 5.138,286 5.138,287 4.309,288 4.053,289 3.145,290 5.2,291 3.933,292 3.933,293 3.933,294 3.933,295 3.933,296 2.809,297 2.133,298 1.52,299 4.058,300 2.62,301 1.384,302 1.117,303 0.85,304 0.85,305 0.85,306 2.805,312 1,313 58,314 1,318 22.133,325 0.75,326 8.173,329 1,330 0.5,331 0.83,332 0.5,334 1,335 1,336 0.69,337 17.5,338 30,339 3.978,340 2.925,341 5.236,342 3.537,343 2.562,344 3.589,346 6.623,347 2.499,348 3.351,349 2.42,350 4.732,351 2.952,352 2,353 2.637,355 5.275,356 1.881,357 2.5,358 1,359 3.414,360 2,361 1,362 1.5,364 2.275,365 1,366 1.269,367 0.599,368 2,369 0.932,375 0.5,376 -0.408,377 2,379 -1,380 -1.137,382 -2.275,383 -0.881,384 0.149,385 -1,386 1.268,387 -0.099,388 -1,389 -1.5,391 -3,392 -1,393 -0.248,394 -1.345,395 0.764,396 -0.622,397 -1.562,398 -2.089,400 -3.623,401 -1.499,402 -0.5,403 -2,404 0.586,405 -1,406 -2,407 -3,409 -5.275,410 -2,474 3.786,475 0.473,476 0.212,477 0.027,478 10.25,479 1.281,480 6,481 0.75,482 4.25,483 0.531,484 3.544,485 0.443,486 8.814,487 0.588,488 4.85,489 0.606,490 2.244,491 0.281,492 1.543,493 0.193,494 0.208,496 0.264,499 1,501 0.467,502 0.839,503 0.735,504 0.999,505 0.517,506 0.964,507 0.571,508 0.936,509 0.732,510 1.02,511 0.539,512 0.955,513 1.119,514 1.178,515 1.221,516 1.246,517 1.107,518 1.259,519 0.98,520 0.914,521 1.101,522 1.006,523 1.018,524 1.064,525 0.549,526 0.748,527 0.422,528 0.64,529 0.506,530 0.538,531 7.996,532 2.415,533 3.981,534 0.019,535 7.97,536 0.541,549 2,551 0.889,552 0.25,553 0.302,559 222,560 735,561 1.861,562 46.7,563 3,564 4,572 1.3,573 1.714,574 2.117,575 -0.828,582 19.3,583 1.287,584 2.523,585 2.79,586 3.057,587 3.057,588 3.057,589 1.5,590 0.811,591 2.981,592 1.991,593 55.735,594 4.649,595 288.266,600 58.603,601 1.5,602 2.906,603 0.25,605 0.089,606 0.036,607 0.151,613 0.526,614 0.83,615 0.88,616 0.875,617 21.826,622 -0.05,624 0.029,625 -0.113,626 0.086,627 -0.06,628 0.068,629 0.002,630 -0.115,631 -0.178,632 -0.315,633 -0.316,634 -0.106,635 -0.358,636 -0.066,637 -0.095,638 -0.116,639 -0.128,640 -0.103,641 -0.134,642 0.159,643 -0.153,644 0.629,645 0.21,646 0.221,647 0.454,648 -1.805,649 1.378,650 -1.946,651 1.008,652 -1.893,653 -0.041,666 1.837,667 4.087,668 0.75,669 2.25,670 1.003,671 1.133,672 3.045,673 9.273,674 0.666,675 2.197,676 2.398,677 2.398,678 2.398,679 2.565,680 1.609,685 2.449,686 0.633,687 110.14,688 2.197,689 3.611,690 4.344,691 5.13,692 5.889,693 6.671,694 7.439,695 8.217,696 8.989,697 9.766,715 4,720 2,722 6,740 1,741 15,743 6,744 1,745 8,747 15,748 7,749 6,750 2,751 4,756 1,757 1,763 1,772 6,773 1,791 1,793 7,794 1,796 1,808 1,829 1,859 1,864 1,866 1,868 8,892 1,901 4.667,902 2.976,903 1.833,904 0.841,907 1.23,908 1.297,909 0.929,910 1.292,911 5.373,912 2.485,913 3.02,914 3.409,915 3.804,916 4.298,917 3.446,922 0.667,923 7,924 2.93,925 0.064,926 1.146,927 0.083,929 8.167,931 5.438,932 0.026,933 4.012,934 0.045,935 0.003,936 2.667,937 21.333,938 0.037,941 82.398,942 59.037,946 14.96,948 59.037,949 82.398,950 14.96,951 8.825,953 37.905,955 12.307,956 14.96,957 82.398,959 82.398,960 59.037,961 14.96,964 97.358,968 8.825,969 50.212,972 97.358,974 59.037,977 82.398,978 12.307,979 46.73,981 14.96,982 82.398,983 14.96,984 59.037,986 0.567,987 0.288,988 0.122,989 0.08,990 5,991 2,995 1,996 1.924,997 33.373,999 6,1000 20,1005 5.296,1006 1.952,1007 1.318,1009 14.96,1010 6.398,1015 0.919,1018 156.395,1019 11,1031 15.047,1032 17.001,1034 0.329,1035 0.646,1036 0.714,1037 0.782,1038 0.782,1039 0.782,1040 3.597,1041 -2,1042 4.29,1043 -3.623,1044 3.045,1045 3.689,1047 4.89,1048 2.986,1049 4.781,1051 5.733,1052 -5.275,1053 2.565,1054 3.332,1056 5.38,1057 2.416,1058 6.039,1060 7.262,1062 4.443,1063 5.791,1065 8.238,1066 4.332,1067 7.327,1069 8.831,1071 4.615,1072 6.086,1074 9.383,1075 4.404,1076 8.636,1078 10.421,1080 6.061,1081 8.106,1083 11.781,1084 5.903,1085 9.959,1087 12.024,1089 6.553,1090 8.733,1092 13.216,1093 6.304,1094 11.292,1096 13.636,1098 7.785,1099 10.515,1101 15.413,1102 7.581,1103 2.562,1105 15.253,1107 8.454,1108 11.346,1110 17.01,1111 8.172,1112 2,1113 6.623,1114 16.876,1116 9.568,1117 12.976,1119 19.095,1120 9.316,1121 1,1122 5.275,1123 18.502,1124 3.589,1125 10.342,1126 13.944,1128 20.795,1129 10.025,1131 2.275,1132 20.131,1133 2.637,1134 11.388,1135 15.469,1137 22.811,1138 11.088,1139 -1,1141 21.763,1142 1.5,1143 12.226,1144 16.531,1146 24.578,1147 11.872,1148 -1,1149 -2.275,1150 23.397,1152 13.23,1153 17.983,1155 26.548,1156 12.882,1157 -1.562,1158 -3,1159 25.033,1160 -1.137,1161 14.109,1162 19.11,1164 28.359,1165 13.713,1166 274,1167 538,1168 4.97,1169 9.983,1170 11.408,1171 11.696,1172 11.765,1173 11.203,1174 11.123,1175 15.454,1177 28.347,1178 10.758,1179 4.478,1180 4.925,1181 4.65,1182 4.537,1183 4.562,1184 6.589,1186 11.898,1187 4.499,1188 3.627,1189 1.426,1190 1.462,1191 1.471,1192 1.4,1193 1.39,1194 1.932,1196 3.543,1197 1.345,1198 3.913,1199 3.944,1200 3.852,1201 3.844,1202 8.201,1203 3.841,1204 3.194,1205 3.272,1206 3.05,1207 3.023,1208 4.656,1209 3.013,1210 2.854,1211 2.925,1212 2.687,1213 2.735,1214 3.76,1215 2.715,1216 2.54,1217 2.634,1218 2.322,1219 2.282,1220 3.674,1221 2.268,1222 1.674,1223 1.814,1224 1.522,1225 1.217,1226 2.952,1227 1.144,1228 1.602,1229 1.802,1230 1.039,1231 1.022,1232 1.992,1233 1.104,1234 0.958,1235 1.207,1236 0.348,1237 0.55,1238 1.201,1239 0.467,1240 0.941,1241 1.207,1242 0.112,1243 0.38,1244 1.144,1245 0.262,1246 0.497,1247 0.366,1248 0.655,1249 0.442,1250 0.32,1251 3.978,1252 0.449,1253 2.925,1255 5.236,1256 0.828,1257 3.537,1258 0.312,1259 2.562,1260 3.589,1262 6.623,1263 2.499,1264 1.898,1265 1.871,1266 2.023,1267 1.991,1268 1.106,1269 2.002,1270 1.193,1271 1.118,1272 1.521,1273 1.421,1274 0.575,1275 1.457,1276 0.886,1277 0.821,1278 1.181,1279 1.062,1280 0.218,1281 1.107,1282 0.5,1283 0.411,1284 0.82,1285 0.789,1287 0.793,1290 0.381,1291 0.133,1293 0.23,1297 0.054,1312 2.833,1314 4.043,1316 5.451,1318 6.94,1320 8.463,1322 1.93,1324 12.087,1340 9.491,1341 19.3,1342 37.848,1343 41.848,1344 45.848,1345 45.848,1346 45.848,1347 8.069,1348 4.143,1351 6,1352 10.383,1353 2.807,1354 2,1355 12.023,1356 14,1357 6,1358 0.597,1359 62.939,1360 104.55,1361 145.332,1362 182,1363 6.7,1364 5.983,1365 0.748,1366 0.586,1367 5.113,1368 4.687,1369 3.788,1370 0.473,1371 0.314,1372 2.485,1373 3.669,1374 2.373,1375 2.021,1376 3.394,1377 2.51,1378 3.365,1379 0.337,1380 0.18,1381 2.743,1382 1.796,1383 2.305,1384 0.23,1385 0.101,1386 1.894,1387 1.011,1388 1.427,1389 0.143,1390 0.053,1391 1.307,1392 0.533,1393 1.305,1394 0.109,1395 0.03,1396 0.901,1397 0.362,1398 0.823,1399 23.592,1400 0.449,1401 7.663,1402 1.848,1403 36,1404 156.111,1405 39.831,1406 128.238,1407 161.66,1408 118,1409 38,1410 107.333,1411 40.91,1412 105.517,1413 147.18,1414 98,1415 5.31}
{0 CHEMBL346733,1 1.522,2 11.917,3 1.364,4 1.862,5 93.752,6 6.843,7 0.2,8 3.941,9 4.088,10 3.425,11 3.376,12 5.035,13 3.358,14 4.501,15 4.73,16 3.698,17 3.726,18 5.411,19 3.68,20 4.71,21 4.959,22 3.68,23 3.85,24 5.648,25 3.75,26 4.78,27 5.05,28 3.697,29 3.894,30 5.774,31 3.765,32 4.78,33 5.059,34 3.567,35 3.822,36 5.701,37 3.691,38 4.63,39 4.907,40 3.321,41 3.664,42 5.629,43 3.518,44 4.414,45 4.692,46 3.233,47 3.499,48 5.324,49 3.356,50 4.363,51 4.647,52 3.237,53 3.423,54 5.242,55 3.311,56 0.027,57 0.721,58 10.949,59 3.689,60 12.822,61 5.748,62 0.232,63 1.062,64 20.67,65 5.62,66 17.467,67 9.27,68 0.428,69 1.19,70 26.062,71 7.513,72 37.112,73 11.981,74 0.307,75 1.248,76 27.642,77 8.998,78 55.059,79 13.918,80 0.363,81 1.162,82 28.343,83 8.148,84 47.441,85 13.018,86 0.423,87 1.009,88 24.484,89 6.451,90 61.952,91 10.694,92 0.199,93 0.841,94 19.183,95 5.901,96 34.733,97 9.437,98 0.266,99 0.764,100 18.635,101 5.223,102 29.911,103 8.478,104 31,105 32,106 0.261,107 0.559,108 0.735,109 0.832,110 0.854,111 0.861,112 3.227,113 0.981,114 -0.63,115 -0.75,116 -0.88,121 35.4,122 1,126 1,127 7,138 1,141 1,144 2,154 2,160 2,176 1,180 6,183 1,185 1,191 1,192 1,195 2,197 1,205 3,206 1,209 2,211 1,219 1,223 1,224 1,227 1,231 1,232 1,235 1,239 1,244 1,247 2,256 1,259 1,261 2,264 1,268 1,274 1,277 1,281 824,282 16.455,283 16.455,284 16.455,285 16.455,286 16.455,287 15.393,288 26.63,289 9.905,290 16.853,291 12.147,292 12.147,293 12.147,294 12.147,295 12.147,296 10.305,297 36.136,298 4.439,299 12.744,300 4.063,301 2.334,302 1.307,303 0.74,304 0.615,305 0.573,306 3.889,310 1,311 1,312 1,313 582,314 4,317 157.3,325 1.847,326 20.206,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 52,338 286,339 4.392,340 4.259,341 6.5,342 3.96,343 3.018,344 3.798,345 2.689,346 10.151,347 2.846,348 4.125,349 3.869,350 5.688,351 3.759,352 2.771,353 3.735,354 1.539,355 8.006,356 2.742,357 3.582,358 3.209,359 5.202,360 3.26,361 2.321,362 2.538,363 0.916,364 6.334,365 2.181,366 3.419,367 3.026,368 5.128,369 3.119,370 2.163,371 2.46,372 0.886,373 6.15,374 2.06,375 3.303,376 2.68,377 4.612,378 2.798,379 1.838,380 2.074,381 0.657,382 4.865,383 1.758,384 3.018,385 2.284,386 3.999,387 2.455,388 1.507,389 1.61,390 0.4,391 3.398,392 1.425,393 2.811,394 2.149,395 3.535,396 2.03,397 1.111,398 1.303,399 0.172,400 2.576,401 1.02,402 2.465,403 1.756,404 3.397,405 1.878,406 0.928,407 1.2,409 2.131,410 0.879,411 2.226,412 1.455,413 3.273,414 1.738,415 0.745,416 1.097,418 1.755,419 0.739,420 2.102,421 1.069,422 2.89,423 1.547,424 0.618,425 1.03,427 0.791,428 0.572,429 1.526,430 0.851,431 2.686,432 1.345,433 0.377,434 0.395,436 0.758,437 0.364,438 1.429,439 0.533,440 2.618,441 1.245,442 0.293,443 0.306,445 0.47,446 0.278,447 1.341,448 0.472,449 2.312,450 0.677,451 -0.253,452 -0.371,454 -0.358,455 -0.235,456 0.721,457 -0.029,458 2.095,459 0.558,460 -0.397,461 -0.51,463 -0.943,464 -0.378,465 0.497,466 -0.119,467 1.837,468 0.292,469 -0.644,470 -0.796,472 -1.532,473 -0.6,474 11.233,475 0.468,476 0.413,477 0.017,478 27,479 1.125,480 11,481 0.458,482 16,483 0.667,484 20.271,485 0.845,486 27.167,487 0.566,488 18.87,489 0.786,490 5.482,491 0.228,492 6.19,493 0.258,494 0.16,496 0.249,501 0.97,502 1.698,503 0.888,504 1.35,505 0.469,506 1.138,507 1.268,508 1.066,509 0.976,510 0.936,511 0.451,512 0.901,513 1.221,514 1.017,515 1.072,516 0.991,517 0.55,518 1.02,519 0.624,520 1.036,521 0.877,522 1.133,523 0.436,524 1.061,525 1.245,526 0.981,527 1,528 0.969,529 1.019,530 0.968,531 1.363,532 0.897,533 1.261,534 0.984,535 1.776,536 1.094,537 0.721,538 1.069,539 0.982,540 1.156,541 0.842,542 1.112,543 1.096,544 0.836,545 0.881,546 0.823,547 0.803,548 0.823,549 4.5,550 0.11,551 2.222,552 1.569,553 0.82,554 0.591,555 0.289,556 0.147,557 0.168,558 0.1,559 6723,560 17821,561 1.972,562 50,564 19,567 2,569 3,572 1.662,573 1.846,574 3.533,575 0.337,576 1,577 1,582 73.042,583 1.522,584 3.251,585 4.278,586 4.845,587 4.97,588 5.012,589 2.959,590 4.002,591 4.558,592 3.722,593 1027.33,594 7.826,595 13085.8,597 1,600 268.078,601 1.384,602 4.513,603 0.18,604 0.007,605 0.069,606 0.052,607 0.027,608 0.023,609 0.015,610 0.008,611 0.009,612 0.006,613 0.396,614 0.33,615 1,616 1.487,617 118.039,618 -0.043,619 -0.378,620 0.051,621 -0.179,622 0.101,623 -0.066,624 -0.134,625 0.063,626 0.018,627 0.06,628 0.016,629 0.071,630 -0.028,631 -0.003,632 -0.078,633 0.006,634 0.081,635 -0.042,636 0.195,637 -0.065,638 0.079,639 -0.11,640 0.263,641 -0.048,642 -0.102,643 -0.073,644 -0.007,645 0.006,646 -0.103,647 0.007,648 -0.186,649 0.066,650 -0.259,651 -0.052,652 -0.331,653 -0.153,654 0.076,655 -0.106,656 -0.025,657 -0.158,658 0.016,659 -0.113,660 0.009,661 0.076,662 0.116,663 0.138,664 -0.035,665 0.146,666 1.525,667 2.979,668 0.417,669 22.806,670 0.998,671 1.145,672 -0.604,673 0.364,674 0.632,675 3.258,676 3.497,677 3.714,678 3.892,679 3.829,680 3.807,681 3.784,682 3.689,683 3.714,684 3.829,685 7.112,686 0.596,687 328.47,688 3.258,689 4.745,690 5.557,691 6.395,692 7.225,693 8.069,694 8.905,695 9.752,696 10.59,697 11.438,698 12.5,700 2,701 2,707 2,715 2,718 1,720 2,722 5,741 48,743 8,745 25,747 49,748 17,749 4,756 2,757 2,763 1,771 2,772 6,773 9,777 1,786 2,789 1,790 1,792 1,793 24,794 7,795 2,796 7,802 6,808 1,809 1,828 2,838 2,850 1,853 2,855 2,859 2,864 2,868 24,876 7,877 2,881 2,885 2,889 2,891 2,893 2.1,898 1,901 13,902 9.133,903 5.722,904 2.986,907 1.542,908 1.236,909 0.928,910 7.145,911 8.084,912 3.512,913 3.897,914 4.393,915 4.829,916 4.829,917 4.862,918 4.899,919 4.746,920 4.812,921 5.169,922 0.875,923 30,924 8.819,926 3.502,927 0.026,929 7.778,931 16.937,933 13.092,936 2.278,937 54.667,941 258.964,942 100.529,943 104.389,945 9.507,948 100.529,949 268.472,950 104.389,951 17.222,952 14.74,953 54.974,954 33.203,955 83.388,956 10.898,957 258.964,959 258.964,960 204.917,961 9.507,964 223.651,965 44.821,968 127.954,969 76.964,972 258.964,973 113.896,974 100.529,977 258.964,978 31.151,979 42.423,980 69.225,981 71.626,982 258.964,983 113.896,984 100.529,986 0.553,987 0.332,988 0.176,989 0.079,990 12,991 6,992 0.163,993 8,995 1,996 3.71,997 170.828,999 10,1000 106.039,1005 18.353,1006 9.343,1007 5.27,1009 113.896,1010 4.012,1013 5.797,1015 1.886,1017 36.022,1018 473.389,1019 32.5,1028 0.785,1031 47.891,1032 54.936,1034 0.272,1035 0.582,1036 0.766,1037 0.868,1038 0.89,1039 0.897,1040 4.747,1041 0.928,1042 5.501,1043 2.576,1044 4.174,1045 4.58,1046 3.185,1047 6.24,1048 4.084,1049 5.913,1050 0.745,1051 7.017,1052 2.131,1053 3.611,1054 4.159,1055 0.57,1056 7.05,1057 3.485,1058 7.189,1059 0.618,1060 8.632,1061 1.755,1062 5.694,1063 6.6,1064 4.78,1065 10.097,1066 5.521,1067 8.499,1068 0.377,1069 10.309,1070 0.791,1071 6.019,1072 7.123,1073 0.637,1074 11.785,1075 5.807,1076 9.843,1077 0.293,1078 12.027,1079 0.758,1080 7.492,1081 8.94,1082 6.667,1083 14.331,1084 7.238,1085 11.21,1086 -0.253,1087 13.775,1088 0.47,1089 8.219,1090 9.886,1091 0.607,1092 16.377,1093 7.923,1094 12.596,1095 -0.397,1096 15.544,1097 -0.358,1098 9.455,1099 11.442,1100 8.619,1101 18.765,1102 9.117,1103 3.018,1104 -0.644,1105 17.33,1106 -0.943,1107 10.371,1108 12.586,1109 0.548,1110 20.963,1111 9.988,1112 2.771,1113 10.151,1114 19.13,1115 -1.532,1116 11.512,1117 14.024,1118 10.59,1119 23.299,1120 11.085,1121 2.321,1122 8.006,1123 20.941,1124 3.798,1125 12.518,1126 15.262,1127 0.481,1128 25.562,1129 12.041,1130 2.163,1131 6.334,1132 22.761,1133 3.735,1134 13.622,1135 16.644,1136 12.566,1137 27.881,1138 13.099,1139 1.838,1140 6.15,1141 24.589,1142 2.538,1143 14.67,1144 17.927,1145 0.415,1146 30.172,1147 14.095,1148 1.507,1149 4.865,1150 26.423,1151 2.46,1152 15.762,1153 19.282,1154 14.544,1155 32.487,1156 15.137,1157 1.111,1158 3.398,1159 28.263,1160 2.074,1161 16.831,1162 20.587,1163 0.355,1164 34.791,1165 16.153,1166 6847,1167 11303,1168 16.296,1169 30.341,1170 37.679,1171 40.137,1172 37.613,1173 35.417,1174 35.379,1175 43.094,1176 14.521,1177 94.774,1178 33.724,1179 5.361,1180 6.039,1181 6.189,1182 5.018,1183 5.018,1184 6.553,1185 5.379,1186 16.833,1187 4.76,1188 13.137,1189 1.507,1190 1.605,1191 1.505,1192 1.417,1193 1.415,1194 1.724,1195 0.581,1196 3.791,1197 1.349,1198 3.968,1199 4.001,1200 3.908,1201 3.803,1202 6.856,1203 3.824,1204 3.878,1205 3.928,1206 3.825,1207 3.71,1208 6.782,1209 3.733,1210 3.628,1211 3.712,1212 3.482,1213 3.418,1214 5.039,1215 3.42,1216 3.509,1217 3.578,1218 3.411,1219 3.333,1220 4.512,1221 3.341,1222 3.395,1223 3.466,1224 3.261,1225 3.2,1226 4.279,1227 3.201,1228 3.17,1229 3.275,1230 2.927,1231 2.976,1232 4.174,1233 2.951,1234 3.037,1235 3.141,1236 2.915,1237 2.822,1238 3.772,1239 2.8,1240 2.912,1241 2.981,1242 2.798,1243 2.652,1244 3.623,1245 2.713,1246 0.176,1247 0.17,1248 0.26,1249 0.158,1250 0.121,1251 4.392,1252 0.152,1253 4.259,1254 0.108,1255 6.5,1256 0.406,1257 3.96,1258 0.114,1259 3.018,1260 3.798,1261 2.689,1262 10.151,1263 2.846,1264 1.705,1265 1.654,1266 1.917,1267 1.924,1268 1.173,1269 1.92,1270 1.682,1271 1.618,1272 1.89,1273 1.904,1274 1.12,1275 1.909,1276 1.599,1277 1.556,1278 1.747,1279 1.775,1280 1.001,1281 1.753,1282 1.507,1283 1.44,1284 1.704,1285 1.722,1286 0.877,1287 1.733,1288 1.411,1289 1.351,1290 1.655,1291 1.603,1292 0.813,1293 1.627,1294 1.301,1295 1.235,1296 1.553,1297 1.521,1298 0.623,1299 1.53,1300 1.13,1301 1.024,1302 1.488,1303 1.406,1304 0.574,1305 1.446,1306 0.92,1307 0.828,1308 1.233,1309 1.239,1310 0.36,1311 1.224,1312 3.932,1314 5.187,1315 3.045,1316 6.616,1317 5.283,1318 8.125,1319 7.261,1320 9.682,1322 4.178,1328 5.518,1329 6.443,1333 4.213,1338 17.957,1339 3.876,1340 28.584,1341 73.042,1342 156.03,1343 205.349,1344 232.568,1345 238.568,1346 240.568,1347 46.301,1348 6.542,1349 91.26,1350 91.26,1351 10,1352 11.999,1353 3.17,1354 3.087,1355 48.887,1356 105,1357 96,1358 0.229,1359 183.324,1360 323.35,1361 439.07,1362 5923,1364 17.364,1365 0.723,1366 0.596,1367 17.364,1368 14.302,1369 11.673,1370 0.467,1371 0.327,1372 8.025,1373 11.104,1374 7.791,1375 6.512,1376 11.673,1377 8.177,1378 9.51,1379 0.297,1380 0.179,1381 9.51,1382 5.736,1383 7.892,1384 0.197,1385 0.1,1386 7.892,1387 3.991,1388 6.169,1389 0.129,1390 0.053,1391 6.169,1392 2.54,1393 3.931,1394 0.087,1395 0.032,1396 3.931,1397 1.453,1398 0.374,1399 73.785,1400 0.248,1401 24.162,1402 0.586,1403 114,1404 342.982,1405 126.922,1406 334.795,1407 446.32,1408 312,1409 129,1410 317.484,1411 143.144,1412 322.082,1413 459.12,1414 300,1415 6.367}
{0 CHEMBL347023,1 1.321,2 5.385,3 2.341,4 5.482,5 50.763,6 7.049,7 0.429,8 3.306,9 3.405,10 2.834,11 2.887,12 4.383,13 2.851,14 3.857,15 4.021,16 3.181,17 3.275,18 4.849,19 3.224,20 4.034,21 4.205,22 3.204,23 3.346,24 5.151,25 3.273,26 4.05,27 4.263,28 2.864,29 3.178,30 5.135,31 3.053,32 3.768,33 4.023,34 2.545,35 2.811,36 4.807,37 2.659,38 3.458,39 3.727,40 1.985,41 2.398,42 4.359,43 2.23,44 3.027,45 3.258,46 1.238,47 1.931,48 3.989,49 1.742,50 2.683,51 3.062,52 0.45,53 1.524,54 3.091,55 1.165,56 0.003,57 0.309,58 5.293,59 2.626,60 3.416,61 3.288,62 0.082,63 0.514,64 10.179,65 4.37,66 12.309,67 5.58,68 0.081,69 0.603,70 12.314,71 5.128,72 16.518,73 6.585,74 0.164,75 0.583,76 13.311,77 4.962,78 33.63,79 6.465,80 0.172,81 0.435,82 10.185,83 3.774,84 25.215,85 5.245,86 0.109,87 0.304,88 7.685,89 2.609,90 15.36,91 3.543,92 0.122,93 0.185,94 5.047,95 1.545,96 17.783,97 1.948,98 0.029,99 0.139,100 3.522,101 1.267,102 5.467,103 1.981,104 11,105 20,106 0.269,107 0.636,108 0.814,109 0.853,110 0.853,111 0.853,112 2.671,113 0.95,114 -3.63,115 -3.6,116 -3.43,121 44,122 1,123 1,124 1,126 1,144 3,145 2,146 1,159 1,176 7,180 4,187 9,192 6,200 8,206 2,214 3,218 1,219 3,227 1,232 1,281 122,282 8.663,283 8.663,284 8.663,285 8.663,286 8.663,287 7.872,288 11.237,289 4.923,290 8.817,291 6.806,292 6.806,293 6.806,294 6.806,295 6.806,296 5.444,297 11.03,298 2.24,299 6.937,300 3.323,301 1.522,302 0.651,303 0.46,304 0.46,305 0.46,306 3.302,311 1,312 1,313 145,314 1.871,317 23.135,318 27.404,321 42.612,325 0.876,326 12.36,329 1,330 0.83,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.85,337 28,338 70,339 4.469,340 3.777,341 6.664,342 4.177,343 3.166,344 4.068,345 1.277,346 10.646,347 3.201,348 3.737,349 2.876,350 5.475,351 3.386,352 2.423,353 3.073,354 0.86,355 6.979,356 2.334,357 3.294,358 2.541,359 5.164,360 2.946,361 1.956,362 2.505,364 5.987,365 1.923,366 2.866,367 1.895,368 4.715,369 2.642,370 1.638,371 1.943,373 4.775,374 1.64,375 2.294,376 1.327,377 3.478,378 1.845,379 0.823,380 1.128,382 1.978,383 0.834,384 1.691,385 1.12,386 2.854,387 1.396,388 0.5,389 0.568,391 0.806,392 0.441,393 1.111,394 0.44,395 2.39,396 0.803,397 -0.196,398 -0.236,400 -0.391,401 -0.194,402 0.652,403 -0.433,404 2.276,405 0.225,406 -0.789,407 -0.954,409 -1.992,410 -0.788,411 0.371,412 -0.642,413 2,414 0.103,415 -0.868,416 -1.165,418 -2.405,419 -0.839,420 -0.026,421 -0.899,422 1.424,423 -0.293,424 -1.331,425 -1.603,427 -3.513,428 -1.324,429 -0.484,430 -1.208,431 1.265,432 -0.701,433 -1.608,434 -1.831,436 -4.314,437 -1.516,438 -0.5,439 -1.587,440 1.099,441 -0.78,442 -1.787,443 -2.179,445 -5.391,446 -1.805,447 -0.657,448 -1.727,449 0.744,450 -0.95,451 -1.925,452 -2.317,453 -0.86,454 -6.292,455 -1.906,456 -0.817,457 -2,458 0.453,459 -1,460 -2,461 -3,462 -1.277,463 -6.875,464 -2,474 6.167,475 0.474,476 0.366,477 0.028,478 15.75,479 1.212,480 8,481 0.615,482 7.75,483 0.596,484 8.573,485 0.659,486 14.233,487 0.569,488 8.857,489 0.681,490 3.042,491 0.234,492 3.177,493 0.244,494 0.216,496 0.405,501 0.656,502 1.125,503 0.797,504 1.106,505 0.546,506 0.995,507 0.951,508 0.848,509 0.803,510 0.836,511 0.636,512 0.801,513 1.01,514 1.17,515 1.014,516 1.157,517 1.034,518 1.097,519 1.315,520 1.113,521 1.24,522 1.119,523 1.719,524 1.159,525 0.593,526 1.087,527 0.904,528 1.09,529 0.727,530 1.055,531 1.295,532 0.942,533 1.116,534 0.946,535 0.928,536 0.993,537 2.286,538 0.921,539 1.772,540 0.96,541 2.184,542 1.231,543 0.064,544 0.777,545 0.669,546 0.803,547 0.127,548 0.832,549 3,551 1.778,552 1.326,553 0.608,554 0.396,555 0.096,559 935,560 2455,561 1.992,562 48,563 5,564 6,568 1,572 1.488,573 1.814,574 2.489,575 -0.822,579 1,582 33.023,583 1.321,584 3.122,585 3.993,586 4.183,587 4.183,588 4.183,589 1.95,590 3.085,591 3.673,592 2.497,593 194.79,594 6.102,595 1403.55,597 1,600 116.096,601 1.549,602 3.601,603 0.214,605 0.089,606 0.07,607 0.051,608 0.05,609 0.024,613 0.497,614 1,615 1,616 1.057,617 46.118,618 0.002,619 -0.039,620 0.049,621 -0.029,622 -0.024,623 0.011,624 -0.07,625 0.178,626 0.116,627 0.184,628 -0.008,629 0.181,630 -0.064,631 -0.171,632 -0.087,633 -0.165,634 -0.013,635 -0.135,636 -0.178,637 -0.164,638 -0.264,639 -0.177,640 -0.232,641 -0.226,642 0.298,643 -0.166,644 0.069,645 -0.16,646 0.16,647 -0.096,648 -0.135,649 -0.047,650 -0.096,651 -0.049,652 -0.029,653 -0.063,654 -0.531,655 -0.03,656 -0.697,657 -0.094,658 -0.44,659 -0.372,660 0.184,661 0.07,662 0.285,663 0.093,664 0.126,665 0.189,666 1.422,667 4.609,668 0.692,669 5.763,670 0.998,671 1.116,672 2.402,673 5.768,674 0.659,675 2.708,676 3.045,677 3.332,678 3.555,679 3.714,680 3.638,681 3.584,682 3.466,683 2.639,684 1.386,685 3.301,686 0.624,687 176.23,688 2.708,689 4.234,690 5.094,691 5.979,692 6.862,693 7.752,694 8.641,695 9.533,696 10.424,697 11.316,715 3,720 3,722 6,727 1,739 1,741 25,743 7,744 1,745 14,747 26,748 11,749 6,750 3,751 3,752 1,756 2,757 3,763 1,767 1,768 1,770 1,772 7,773 4,774 1,777 1,782 1,786 1,793 12,794 2,796 2,808 0.5,809 2,828 1,829 1,832 1,859 1,864 2,868 13,876 1,878 1,880 1,893 8,896 1,898 1,901 7.167,902 5.167,903 2.917,904 1.528,907 1.386,908 1.248,909 0.941,910 1.929,911 6.977,912 2.944,913 3.512,914 4.082,915 4.579,916 5.072,917 5.152,918 5.295,919 5.293,920 4.627,921 3.27,922 0.75,923 19,924 4.811,925 -0.003,926 2.026,927 0.026,929 7.808,931 9.229,932 -0.001,933 7.598,934 0.001,936 2.308,937 30,938 0.009,941 141.253,942 67.42,945 36.145,948 67.42,949 177.398,951 19.708,952 2.535,953 28.429,954 30.278,955 22.614,957 141.253,959 141.253,960 67.42,961 36.145,964 141.253,965 36.145,968 11.36,969 56.06,972 141.253,973 36.145,974 67.42,977 141.253,978 19.283,979 48.137,981 36.145,982 141.253,983 36.145,984 67.42,986 0.587,987 0.363,988 0.186,989 0.101,990 11,991 5,992 0.038,993 1,994 1,995 1.222,996 2.454,997 80.87,998 0.222,999 9,1000 48.106,1005 8.455,1006 2.967,1007 1.274,1009 36.145,1010 5.723,1015 2.756,1018 244.818,1019 18,1024 11.609,1028 0.244,1031 24.956,1032 27.91,1034 0.284,1035 0.672,1036 0.86,1037 0.901,1038 0.901,1039 0.901,1040 4.182,1041 -0.789,1042 5.106,1043 -0.391,1044 3.714,1045 4.19,1046 1.748,1047 5.948,1048 3.696,1049 5.39,1050 -0.868,1051 6.696,1052 -1.992,1053 3.434,1054 4.086,1056 6.911,1057 3.434,1058 6.707,1059 -1.331,1060 8.383,1061 -2.405,1062 5.342,1063 6.35,1064 2.004,1065 10.009,1066 5.329,1067 8.062,1068 -1.608,1069 10.124,1070 -3.513,1071 5.861,1072 7.025,1074 11.787,1075 5.874,1076 9.449,1077 -1.787,1078 11.899,1079 -4.314,1080 7.284,1081 8.814,1082 2.352,1083 14.42,1084 7.295,1085 10.858,1086 -1.925,1087 13.698,1088 -5.391,1089 8.161,1090 9.845,1092 16.547,1093 8.2,1094 12.285,1095 -2,1096 15.515,1097 -6.292,1098 9.405,1099 11.438,1100 2.759,1101 19.013,1102 9.451,1103 3.166,1105 17.347,1106 -6.875,1107 10.44,1108 12.647,1110 21.284,1111 10.509,1112 2.423,1113 10.646,1114 19.191,1116 11.62,1117 14.147,1118 3.203,1119 23.688,1120 11.7,1121 1.956,1122 6.979,1123 21.045,1124 4.068,1125 12.721,1126 15.447,1128 26.017,1129 12.821,1130 1.638,1131 5.987,1132 22.906,1133 3.073,1134 13.88,1135 16.901,1136 3.667,1137 28.397,1138 13.992,1139 0.823,1140 4.775,1141 24.775,1142 2.505,1143 15.01,1144 18.249,1146 30.747,1147 15.138,1148 0.5,1149 1.978,1150 26.649,1151 1.943,1152 16.162,1153 19.679,1154 4.142,1155 33.118,1156 16.303,1157 -0.196,1158 0.806,1159 28.527,1160 1.128,1161 17.304,1162 21.052,1164 35.478,1165 17.458,1166 1014,1167 1687,1168 8.959,1169 16.477,1170 21.272,1171 22.473,1172 22.418,1173 20.956,1174 21.01,1175 26.571,1176 4.275,1177 62.341,1178 20.746,1179 5.285,1180 5.777,1181 6.211,1182 5.177,1183 5.166,1184 7.068,1185 2.555,1186 17.521,1187 5.201,1188 6.647,1189 1.519,1190 1.605,1191 1.601,1192 1.497,1193 1.501,1194 1.898,1195 0.305,1196 4.453,1197 1.482,1198 4.031,1199 4.049,1200 3.981,1201 3.964,1202 7.426,1203 3.965,1204 3.555,1205 3.593,1206 3.451,1207 3.415,1208 4.844,1209 3.414,1210 3.209,1211 3.286,1212 3.011,1213 2.952,1214 4.376,1215 2.953,1216 2.994,1217 3.032,1218 2.865,1219 2.827,1220 3.977,1221 2.826,1222 2.891,1223 2.99,1224 2.629,1225 2.705,1226 3.592,1227 2.673,1228 2.563,1229 2.612,1230 2.411,1231 2.293,1232 3.475,1233 2.315,1234 2.314,1235 2.39,1236 2.078,1237 2.125,1238 2.949,1239 2.105,1240 1.717,1241 1.873,1242 1.289,1243 1.293,1244 2.576,1245 1.259,1246 0.319,1247 0.27,1248 0.476,1249 0.298,1250 0.226,1251 4.469,1252 0.291,1253 3.777,1254 0.091,1255 6.664,1256 0.76,1257 4.177,1258 0.229,1259 3.166,1260 4.068,1261 1.277,1262 10.646,1263 3.201,1264 1.886,1265 1.871,1266 1.982,1267 1.97,1268 1.207,1269 1.972,1270 1.644,1271 1.599,1272 1.867,1273 1.808,1274 1.067,1275 1.829,1276 1.216,1277 1.159,1278 1.572,1279 1.521,1280 0.587,1281 1.536,1282 0.962,1283 0.913,1284 1.329,1285 1.197,1286 0.474,1287 1.242,1288 0.935,1289 0.839,1290 1.175,1291 1.154,1292 0.242,1293 1.163,1294 0.653,1295 0.579,1296 0.95,1297 0.895,1298 0.046,1299 0.921,1300 0.1,1301 0.029,1302 0.554,1303 0.44,1305 0.469,1308 0.304,1309 0.2,1311 0.249,1312 3.367,1314 4.691,1315 2.398,1316 6.221,1317 4.844,1318 7.837,1319 7.002,1320 9.501,1322 3.583,1328 0.873,1330 5.071,1332 0.141,1340 15.59,1341 33.023,1342 78.057,1343 99.832,1344 104.587,1345 104.587,1346 104.587,1347 18.114,1348 5.591,1349 26.3,1350 26.3,1351 11,1352 11.844,1353 3,1354 2.322,1355 19.085,1356 26,1357 26,1358 0.41,1359 97.782,1360 170.26,1361 230.349,1362 1333,1364 9.422,1365 0.725,1366 0.603,1367 9.422,1368 7.833,1369 6.22,1370 0.444,1371 0.317,1372 4.377,1373 5.999,1374 4.186,1375 3.504,1376 6.22,1377 4.432,1378 5.583,1379 0.279,1380 0.175,1381 5.583,1382 3.493,1383 4.982,1384 0.185,1385 0.095,1386 4.982,1387 2.556,1388 3.781,1389 0.111,1390 0.052,1391 3.781,1392 1.778,1393 2.987,1394 0.075,1395 0.029,1396 2.987,1397 1.159,1398 0.586,1399 39.01,1400 0.334,1401 12.752,1402 1.287,1403 68,1404 201.471,1405 72.982,1406 190.283,1407 255.41,1408 178,1409 81,1410 180.182,1411 85.983,1412 184.59,1413 267.98,1414 172,1415 6.42}
{0 CHEMBL347354,1 1.496,2 7.294,3 2.967,4 8.803,5 68.615,6 6.695,7 0.333,8 3.629,9 3.762,10 3.104,11 3.132,12 4.671,13 3.085,14 4.208,15 4.409,16 3.41,17 3.541,18 5.302,19 3.461,20 4.501,21 4.745,22 3.425,23 3.701,24 5.351,25 3.57,26 4.621,27 4.914,28 3.312,29 3.606,30 5.509,31 3.45,32 4.441,33 4.734,34 3.164,35 3.386,36 5.439,37 3.26,38 4.079,39 4.299,40 3.034,41 3.274,42 5.057,43 3.165,44 4.196,45 4.458,46 2.829,47 3.158,48 5.244,49 3.02,50 3.838,51 4.102,52 2.337,53 2.742,54 4.913,55 2.586,56 0.11,57 0.503,58 8.142,59 3.318,60 7.248,61 4.733,62 0.195,63 0.807,64 15.155,65 5.448,66 38.406,67 8.073,68 0.112,69 0.995,70 20.436,71 7.316,72 19.425,73 11.022,74 0.241,75 0.972,76 23.982,77 7.49,78 38.75,79 11.576,80 0.418,81 0.767,82 20.644,83 5.739,84 54.128,85 8.895,86 0.114,87 0.629,88 13.506,89 4.664,90 19.813,91 6.809,92 0.247,93 0.587,94 15.964,95 4.756,96 44.846,97 6.966,98 0.202,99 0.384,100 11.239,101 3.258,102 41.045,103 4.724,104 11,105 24,106 0.279,107 0.556,108 0.751,109 0.793,110 0.804,111 0.804,112 2.908,113 1.019,114 -4.07,115 -4.02,116 -3.8,121 37.1,122 1,123 2,124 1,127 3,144 4,145 1,146 1,168 2,176 7,179 1,180 5,187 7,192 8,200 2,205 1,206 8,214 2,218 2,219 3,227 3,232 2,239 6,244 5,251 5,256 3,264 3,269 2,277 1,281 311,282 11.276,283 11.276,284 11.276,285 11.276,286 11.276,287 10.22,288 13.349,289 6.777,290 11.436,291 8.878,292 8.878,293 8.878,294 8.878,295 8.878,296 7.364,297 16.384,298 3.218,299 9.125,300 3.633,301 2.152,302 1.107,303 0.879,304 0.822,305 0.822,306 3.56,311 1,312 1,313 255,314 2.449,318 109.262,325 1.135,326 16.758,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 37,338 124,339 4.39,340 3.807,341 6.417,342 3.957,343 2.982,344 4.095,345 2.612,346 9.812,347 2.908,348 3.67,349 3.013,350 5.446,351 3.545,352 2.586,353 2.992,354 0.916,355 7.205,356 2.488,357 3.484,358 2.577,359 4.976,360 3.101,361 2.132,362 2.586,363 0.172,364 5.825,365 2.057,366 3.09,367 2.153,368 4.714,369 2.819,370 1.844,371 2.17,373 4.882,374 1.791,375 2.806,376 1.531,377 3.722,378 2.409,379 1.414,380 1.885,382 3.128,383 1.405,384 2.606,385 1.324,386 3.466,387 2,388 1,389 1.595,391 2.304,392 1,393 2,394 1.077,395 3.414,396 1.984,397 1,398 1,400 2.275,401 0.983,402 1.379,403 1,404 2.898,405 1.205,406 0.229,407 0.251,409 0.548,410 0.223,411 1,412 0.467,413 2,414 0.664,415 -0.325,416 -0.366,418 -0.736,419 -0.321,420 0.868,421 -0.124,422 2,423 0.182,424 -0.802,425 -1,427 -1.96,428 -0.785,429 0.62,430 -0.596,431 2,433 -1,434 -1.024,436 -2,437 -0.946,438 0.242,439 -0.784,440 1.738,441 -0.022,442 -1,443 -1.273,445 -2.514,446 -0.977,448 -0.906,449 1.377,450 -0.049,451 -1,452 -1.544,454 -3,455 -1,456 -0.34,457 -1.34,458 1.121,459 -0.418,460 -1.414,461 -2,463 -3.437,464 -1.408,465 -0.457,466 -1.431,467 1,468 -0.771,469 -1.723,470 -2,471 -0.4,472 -5.184,473 -1.642,474 7.967,475 0.469,476 0.421,477 0.025,478 19.5,479 1.147,480 9,481 0.529,482 10.5,483 0.618,484 13.274,485 0.781,486 19.633,487 0.561,488 11.782,489 0.693,490 3.583,491 0.211,492 4.582,493 0.27,494 0.146,496 0.289,501 0.317,502 1.36,503 0.846,504 1.2,505 0.439,506 1.127,507 0.571,508 1.157,509 0.933,510 1.079,511 0.301,512 1.051,513 0.557,514 1.268,515 0.969,516 1.236,517 0.378,518 1.173,519 0.74,520 0.998,521 0.861,522 1.007,523 0.646,524 0.957,525 1.172,526 0.65,527 0.87,528 0.625,529 1.25,530 0.69,531 0.997,532 1.188,533 1.134,534 1.24,535 0.974,536 1.207,537 1.535,538 0.883,539 1.159,540 0.956,541 1.711,542 0.999,543 1.776,544 0.88,545 1.248,546 0.939,547 2.096,548 1.02,549 3.5,551 1.778,552 1,553 0.844,554 0.417,555 0.262,556 0.201,557 0.127,558 0.016,559 2218,560 5465,561 1.994,562 51.4,563 4,564 10,569 4,572 1.57,573 1.855,574 2.891,575 -0.75,577 1,578 1,579 1,582 52.361,583 1.496,584 2.978,585 4.022,586 4.251,587 4.308,588 4.308,589 2.278,590 3.293,591 4.061,592 2.997,593 407.636,594 6.869,595 3695.32,596 1,597 1,599 1,600 179.525,601 1.447,602 4.01,603 0.194,605 0.074,606 0.043,607 0.044,608 0.025,609 0.017,610 0.018,611 0.021,612 0.005,613 0.443,614 0.83,615 1,616 0.922,617 70.201,618 0.316,619 -0.043,620 0.069,621 -0.003,622 0.053,623 -0.021,624 0.128,625 0.012,626 -0.002,627 0.003,628 0.258,629 -0.011,630 0.013,631 -0.214,632 -0.059,633 -0.196,634 0.069,635 -0.145,636 0.051,637 -0.086,638 0.092,639 -0.077,640 0.07,641 0.003,642 0.011,643 0.224,644 0.144,645 0.252,646 -0.056,647 0.222,648 -0.106,649 -0.127,650 -0.182,651 -0.207,652 -0.1,653 -0.202,654 -0.21,655 -0.006,656 -0.143,657 -0.034,658 -0.222,659 -0.071,660 -0.277,661 -0.061,662 -0.212,663 -0.036,664 -0.326,665 -0.109,666 2.29,667 3.903,668 0.706,669 10.076,670 0.998,671 1.135,672 2.839,673 8.061,674 0.629,675 2.944,676 3.219,677 3.401,678 3.584,679 3.761,680 3.611,681 3.584,682 3.584,683 3.555,684 3.296,685 4.502,686 0.591,687 234.33,688 2.944,689 4.443,690 5.252,691 6.098,692 6.929,693 7.777,694 8.614,695 9.463,696 10.303,697 11.152,698 5.7,701 1,709 1,715 4,720 2,722 6,735 1,741 35,743 8,744 1,745 18,747 36,748 13,749 6,750 2,751 4,756 2,757 2,763 1,767 2,768 1,770 2,772 6,773 7,774 1,777 2,779 1,782 2,790 1,793 18,794 3,796 4,802 2,808 1,809 2,829 2,855 1,859 2,864 1,868 17,876 5,880 1,881 1,893 5.7,899 2,901 9.167,902 6.4,903 3.806,904 2.271,907 1.452,908 1.245,909 0.925,910 3.874,911 7.381,912 3.178,913 3.676,914 4.073,915 4.531,916 4.931,917 4.894,918 5.052,919 4.977,920 5.076,921 5.155,922 0.8,923 23,924 6.303,926 2.618,927 0.026,929 7.863,931 12.203,933 10.002,936 2.363,937 40.167,938 0.002,941 211.88,942 64.059,943 8.794,945 50.747,948 64.059,949 262.627,950 8.794,951 14.495,952 11.386,953 37.905,955 9.067,957 211.88,958 50.747,959 211.88,960 72.853,961 50.747,964 164.795,965 47.084,966 50.747,968 23.336,969 43.847,970 5.67,972 211.88,973 59.541,974 64.059,977 211.88,978 17.328,979 55.525,981 50.747,982 211.88,983 59.541,984 64.059,986 0.574,987 0.322,988 0.167,989 0.093,990 11,991 5,992 0.083,993 3,995 1,996 2.927,997 111.983,999 12,1000 63.487,1005 12.217,1006 5.39,1007 3.115,1009 53.871,1010 7.035,1015 1.068,1018 335.48,1019 23,1021 -0.29,1024 21.805,1031 34.927,1032 39.737,1034 0.292,1035 0.581,1036 0.784,1037 0.829,1038 0.84,1039 0.84,1040 4.388,1041 0.229,1042 5.22,1043 2.275,1044 3.892,1045 4.357,1046 2.618,1047 5.964,1048 3.839,1049 5.55,1050 -0.325,1051 6.742,1052 0.548,1053 3.434,1054 4.159,1055 2.396,1056 6.77,1057 3.338,1058 6.828,1059 -0.802,1060 8.364,1061 -0.736,1062 5.416,1063 6.427,1064 4.169,1065 9.813,1066 5.302,1067 8.138,1068 -1,1069 10.045,1070 -1.96,1071 5.74,1072 7.065,1073 4.512,1074 11.464,1075 5.584,1076 9.483,1077 -1,1078 11.766,1079 -2,1080 7.217,1081 8.853,1082 5.95,1083 14.024,1084 7.045,1085 10.852,1086 -1,1087 13.515,1088 -2.514,1089 7.918,1090 9.884,1091 6.557,1092 16.035,1093 7.71,1094 12.241,1095 -1.414,1096 15.285,1097 -3,1098 9.173,1099 11.475,1100 7.794,1101 18.421,1102 8.946,1103 2.982,1104 -1.723,1105 17.072,1106 -3.437,1107 10.063,1108 12.696,1109 8.548,1110 20.588,1111 9.806,1112 2.586,1113 9.812,1114 18.872,1115 -5.184,1116 11.218,1117 14.197,1118 9.67,1119 22.909,1120 10.941,1121 2.132,1122 7.205,1123 20.682,1124 4.095,1125 12.204,1126 15.51,1127 10.509,1128 25.142,1129 11.899,1130 1.844,1131 5.825,1132 22.501,1133 2.992,1134 13.315,1135 16.968,1136 11.563,1137 27.439,1138 12.989,1139 1.414,1140 4.882,1141 24.327,1142 2.586,1143 14.35,1144 18.328,1145 12.452,1146 29.7,1147 13.997,1148 1,1149 3.128,1150 26.158,1151 2.17,1152 15.443,1153 19.763,1154 13.468,1155 31.989,1156 15.068,1157 1,1158 2.304,1159 27.995,1160 1.885,1161 16.502,1162 21.146,1163 14.386,1164 34.262,1165 16.102,1166 2285,1167 3729,1168 11.731,1169 22.012,1170 26.405,1171 27.618,1172 27.437,1173 26.395,1174 26.376,1175 33.147,1176 7.402,1177 71.961,1178 25.711,1179 5.39,1180 5.807,1181 6.098,1182 4.993,1183 4.982,1184 7.095,1185 4.612,1186 16.365,1187 4.908,1188 8.398,1189 1.467,1190 1.534,1191 1.524,1192 1.466,1193 1.465,1194 1.842,1195 0.411,1196 3.998,1197 1.428,1198 4.017,1199 4.052,1200 3.971,1201 3.894,1202 7.815,1203 3.901,1204 3.84,1205 3.897,1206 3.717,1207 3.705,1208 6.999,1209 3.696,1210 3.483,1211 3.51,1212 3.442,1213 3.14,1214 4.702,1215 3.135,1216 3.325,1217 3.409,1218 3.158,1219 3.031,1220 4.337,1221 3.13,1222 3.111,1223 3.206,1224 2.866,1225 2.941,1226 3.911,1227 2.91,1228 2.985,1229 3.078,1230 2.767,1231 2.823,1232 3.626,1233 2.798,1234 2.717,1235 2.799,1236 2.534,1237 2.498,1238 3.54,1239 2.506,1240 2.541,1241 2.65,1242 2.282,1243 2.271,1244 3.474,1245 2.269,1246 0.244,1247 0.212,1248 0.356,1249 0.22,1250 0.166,1251 4.39,1252 0.227,1253 3.807,1254 0.145,1255 6.417,1256 0.545,1257 3.957,1258 0.162,1259 2.982,1260 4.095,1261 2.612,1262 9.812,1263 2.908,1264 1.95,1265 1.919,1266 2.094,1267 2.11,1268 1.442,1269 2.094,1270 1.828,1271 1.773,1272 2.006,1273 2,1274 1.162,1275 2.001,1276 1.32,1277 1.238,1278 1.62,1279 1.667,1280 0.825,1281 1.592,1282 1.194,1283 1.164,1284 1.513,1285 1.548,1286 0.809,1287 1.545,1288 1.153,1289 1.064,1290 1.388,1291 1.376,1292 0.563,1293 1.429,1294 1.023,1295 0.938,1296 1.276,1297 1.25,1298 0.246,1299 1.302,1300 0.713,1301 0.632,1302 1.065,1303 0.962,1304 0.213,1305 1.005,1306 0.54,1307 0.434,1308 0.958,1309 0.855,1311 0.907,1312 3.611,1314 4.89,1316 6.368,1318 7.933,1320 9.541,1322 2.266,1328 5.186,1332 0.789,1333 2.308,1340 20.687,1341 52.361,1342 104.222,1343 140.77,1344 148.77,1345 150.77,1346 150.77,1347 29.372,1348 5.93,1349 49.06,1350 49.06,1351 12,1352 11.713,1353 3.17,1354 2.585,1355 28.384,1356 45,1357 46,1358 0.316,1359 130.556,1360 226.86,1361 310.316,1362 2338,1364 12.251,1365 0.721,1366 0.596,1367 12.251,1368 10.133,1369 8.165,1370 0.454,1371 0.34,1372 6.037,1373 7.815,1374 5.869,1375 4.905,1376 8.165,1377 6.112,1378 7.314,1379 0.305,1380 0.202,1381 7.314,1382 4.844,1383 5.596,1384 0.193,1385 0.119,1386 5.596,1387 3.459,1388 4.4,1389 0.126,1390 0.065,1391 4.4,1392 2.284,1393 3.564,1394 0.085,1395 0.042,1396 3.564,1397 1.77,1398 0.481,1399 51.499,1400 0.292,1401 17.078,1402 0.907,1403 84,1404 250.761,1405 92.258,1406 240.143,1407 313.2,1408 220,1409 95,1410 225.478,1411 103.65,1412 223.984,1413 318.81,1414 208,1415 6.796}
{0 CHEMBL347503,1 1.493,2 9.278,3 2.851,4 8.126,5 71.243,6 6.843,7 0.333,8 3.635,9 3.765,10 3.107,11 3.1,12 4.775,13 3.073,14 4.137,15 4.347,16 3.351,17 3.396,18 5.235,19 3.338,20 4.293,21 4.496,22 3.347,23 3.509,24 5.361,25 3.417,26 4.42,27 4.67,28 3.212,29 3.428,30 5.451,31 3.325,32 4.166,33 4.392,34 3.166,35 3.352,36 5.208,37 3.261,38 4.14,39 4.355,40 3.095,41 3.36,42 5.186,43 3.237,44 4.197,45 4.476,46 2.895,47 3.272,48 5.117,49 3.115,50 3.948,51 4.192,52 2.655,53 3.039,54 5.005,55 2.875,56 0.015,57 0.491,58 7.961,59 3.116,60 8.126,61 4.368,62 0.339,63 0.716,64 14.428,65 4.546,66 25.984,67 6.755,68 0.097,69 0.789,70 16.513,71 6.136,72 24.367,73 8.555,74 0.332,75 0.776,76 20.178,77 6.149,78 54.1,79 8.683,80 0.173,81 0.692,82 14.903,83 4.946,84 28.198,85 7.136,86 0.158,87 0.687,88 14.205,89 5.216,90 24.858,91 7.46,92 0.182,93 0.662,94 15.653,95 5.256,96 30.937,97 7.782,98 0.204,99 0.522,100 12.075,101 4.169,102 29.876,103 5.966,104 31,105 22,106 0.277,107 0.644,108 0.796,109 0.838,110 0.838,111 0.838,112 2.957,113 0.959,114 -3.26,115 -3.25,116 -3.12,121 38.9,123 1,126 2,127 2,142 1,143 1,144 4,145 1,146 1,161 1,176 6,179 3,180 2,185 2,187 6,192 2,197 2,200 3,206 6,211 2,214 2,219 4,224 1,227 2,232 4,235 1,237 1,239 3,251 3,256 1,259 2,264 2,269 1,277 1,281 392,282 11.905,283 11.905,284 11.905,285 11.905,286 11.905,287 10.845,288 15.482,289 7.548,290 12.199,291 8.856,292 8.856,293 8.856,294 8.856,295 8.856,296 7.144,297 15.485,298 3.577,299 9.287,300 3.677,301 1.695,302 0.875,303 0.653,304 0.653,305 0.653,306 3.591,310 1,311 1,312 1,313 322,314 3.606,318 67.262,325 1.642,326 15.677,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 39,338 167,339 4.112,340 3.762,341 5.836,342 3.735,343 2.788,344 3.687,345 2.208,346 8.103,347 2.654,348 3.817,349 2.875,350 5.518,351 3.507,352 2.543,353 3.036,354 0.867,355 7.206,356 2.416,357 3.5,358 2.539,359 4.946,360 3.001,361 2.046,362 2.535,363 0.655,364 5.741,365 1.947,366 3.31,367 2.375,368 3.731,369 2.649,370 1.702,371 2.1,372 0.13,373 3.372,374 1.609,375 2.703,376 1.976,377 3.553,378 2.246,379 1.265,380 1.772,382 2.721,383 1.237,384 2.497,385 1.502,386 3.428,387 1.981,388 1,389 1.295,391 2.272,392 0.98,393 2.304,394 1.242,395 3.066,396 1.966,397 1,398 1.191,400 1.845,401 0.948,402 1.634,403 0.676,404 2.425,405 1.173,406 0.202,407 0.261,409 0.342,410 0.195,411 1.18,412 0.391,413 2.359,414 0.741,415 -0.225,416 -0.293,418 -0.556,419 -0.212,420 0.848,421 -0.241,422 1.743,423 0.452,424 -0.525,425 -0.684,427 -1.033,428 -0.51,429 0.484,430 -0.367,431 1.686,432 -0.001,433 -1,434 -1,436 -2,437 -0.9,438 0.365,439 -0.6,440 1.367,441 -0.014,442 -1,443 -1.336,445 -2.046,446 -0.98,448 -0.721,449 1.256,450 -0.1,451 -1,452 -1.417,454 -2.612,455 -0.989,456 -0.222,457 -1.019,458 1.03,459 -0.478,460 -1.451,461 -1.813,463 -3.202,464 -1.421,465 -0.366,466 -1.125,467 1,468 -0.58,469 -1.548,470 -1.953,471 -0.4,472 -4.131,473 -1.488,474 8.467,475 0.47,476 0.37,477 0.021,478 21,479 1.167,480 10,481 0.556,482 11,483 0.611,484 12.109,485 0.673,486 20.333,487 0.565,488 14.699,489 0.817,490 4.601,491 0.256,492 4.03,493 0.224,494 0.217,496 0.224,501 0.826,502 1.537,503 0.887,504 1.285,505 0.653,506 1.117,507 0.77,508 0.825,509 0.937,510 0.831,511 0.505,512 0.873,513 1.002,514 1.288,515 1.042,516 1.322,517 0.786,518 1.212,519 1.718,520 0.844,521 1.065,522 0.801,523 1.608,524 0.844,525 1.225,526 1.04,527 1.054,528 0.981,529 1.157,530 0.988,531 0.841,532 1.231,533 1.135,534 1.262,535 0.944,536 1.254,537 0.909,538 0.869,539 0.964,540 0.905,541 1.018,542 0.938,543 0.964,544 1.03,545 1.235,546 1.2,547 1.132,548 1.263,549 3.5,550 0.05,551 1.333,552 0.75,553 0.622,554 0.375,555 0.305,556 0.193,557 0.107,558 0.076,559 2616,560 7654,561 1.876,562 50,564 14,565 1,567 1,569 2,572 1.583,573 1.742,574 3.22,575 -0.28,577 1,578 1,579 1,582 53.756,583 1.493,584 3.475,585 4.295,586 4.517,587 4.517,588 4.517,589 2.738,590 3.308,591 4.133,592 3.353,593 512.962,594 7.002,595 5090.22,596 1,597 1,599 1,600 186.117,601 1.436,602 4.086,603 0.194,604 0.01,605 0.061,606 0.036,607 0.035,608 0.021,609 0.019,610 0.015,611 0.012,612 0.011,613 0.413,614 0.67,615 1,616 2.234,617 78.604,618 -0.023,619 -0.294,620 0.032,621 -0.163,622 -0.041,623 -0.073,624 0.28,625 0.31,626 0.048,627 0.139,628 0.157,629 0.08,630 -0.034,631 -0.269,632 -0.091,633 -0.28,634 0.017,635 -0.205,636 -0.235,637 0.028,638 -0.024,639 0.131,640 -0.186,641 0.086,642 -0.158,643 -0.023,644 -0.075,645 0.005,646 -0.129,647 -0.018,648 0.006,649 -0.198,650 -0.198,651 -0.232,652 -0.094,653 -0.25,654 -0.074,655 0.048,656 -0.005,657 0.053,658 -0.071,659 0.039,660 0.029,661 -0.067,662 -0.27,663 -0.228,664 -0.08,665 -0.296,666 2.044,667 4.392,668 0.333,669 15.753,670 0.998,671 1.132,672 2.032,673 4.131,674 0.639,675 2.944,676 3.135,677 3.219,678 3.296,679 3.434,680 3.367,681 3.367,682 3.296,683 3.135,684 2.773,685 5.519,686 0.602,687 246.34,688 2.944,689 4.394,690 5.153,691 5.953,692 6.739,693 7.549,694 8.347,695 9.163,696 9.967,697 10.786,698 5.6,700 1,705 1,715 4,720 2,722 6,737 1,741 36,743 8,744 1,745 18,747 36,748 14,749 6,750 2,751 4,756 1,757 1,770 1,771 2,772 7,773 5,777 1,782 1,786 1,790 1,793 18,794 4,795 1,796 4,802 2,808 1,809 2,829 1,836 1,837 1,853 1,859 1,864 2,868 18,876 3,877 1,878 1,881 1,885 1,886 1,891 1,893 5.6,896 1,898 1,901 10.333,902 6.95,903 4.278,904 1.964,907 1.445,908 1.256,909 0.901,910 6.098,911 7.091,912 3.219,913 3.597,914 3.937,915 4.319,916 4.752,917 4.74,918 4.879,919 5.033,920 4.888,921 4.605,922 1,923 21,924 6.591,926 2.516,927 0.026,929 7.889,931 12.4,933 9.024,936 2.389,937 43,938 0.001,941 200.109,942 116.987,943 21.135,945 36.145,948 116.987,949 236.254,950 21.135,951 16.793,952 9.87,953 55.916,954 25.145,955 19.429,956 58.885,957 188.338,959 200.109,960 138.122,961 36.145,964 176.567,965 59.687,968 27.881,969 93.21,970 17.031,972 200.109,973 57.28,974 116.987,977 200.109,978 21.937,979 57.822,980 35.041,981 59.466,982 200.109,983 57.28,984 116.987,986 0.548,987 0.292,988 0.132,989 0.074,990 7,991 4,992 0.167,993 6,995 1,996 3.067,997 107.674,999 6,1000 73.059,1005 14.399,1006 7.623,1007 5.495,1009 57.28,1010 7.484,1015 1.659,1017 18.011,1018 374.376,1019 24,1024 11.392,1028 -0.377,1031 35.927,1032 40.737,1034 0.289,1035 0.672,1036 0.831,1037 0.874,1038 0.874,1039 0.874,1040 4.401,1041 0.202,1042 5.081,1043 1.845,1044 3.807,1045 4.277,1046 2.458,1047 5.733,1048 3.716,1049 5.554,1050 -0.225,1051 6.55,1052 0.342,1053 3.219,1054 3.829,1055 1.847,1056 6.337,1057 3.061,1058 6.803,1059 -0.525,1060 8.119,1061 -0.556,1062 5.242,1063 6.229,1064 3.56,1065 9.338,1066 5.053,1067 8.08,1068 -1,1069 9.745,1070 -1.033,1071 5.442,1072 6.558,1073 3.656,1074 10.723,1075 5.177,1076 9.383,1077 -1,1078 11.407,1079 -2,1080 6.936,1081 8.465,1082 4.961,1083 13.21,1084 6.649,1085 10.703,1086 -1,1087 13.092,1088 -2.046,1089 7.522,1090 9.177,1091 5.37,1092 14.931,1093 7.158,1094 12.037,1095 -1.451,1096 14.792,1097 -2.612,1098 8.77,1099 10.85,1100 6.459,1101 17.204,1102 8.384,1103 2.788,1104 -1.548,1105 16.503,1106 -3.202,1107 9.555,1108 11.777,1109 7.028,1110 19.091,1111 9.094,1112 2.543,1113 8.103,1114 18.221,1115 -4.131,1116 10.682,1117 13.319,1118 7.994,1119 21.264,1120 10.196,1121 2.046,1122 7.206,1123 19.945,1124 3.687,1125 11.572,1126 14.377,1127 8.654,1128 23.239,1129 11.016,1130 1.702,1131 5.741,1132 21.674,1133 3.036,1134 12.639,1135 15.838,1136 9.549,1137 25.363,1138 12.052,1139 1.265,1140 3.372,1141 23.405,1142 2.535,1143 13.585,1144 16.978,1145 10.263,1146 27.386,1147 12.934,1148 1,1149 2.721,1150 25.14,1151 2.1,1152 14.623,1153 18.388,1154 11.116,1155 29.488,1156 13.936,1157 1,1158 2.272,1159 26.878,1160 1.772,1161 15.6,1162 19.583,1163 11.862,1164 31.537,1165 14.853,1166 2854,1167 4956,1168 11.326,1169 23.012,1170 26.419,1171 26.536,1172 25.934,1173 25.138,1174 25.09,1175 31.752,1176 7.72,1177 63.201,1178 23.972,1179 4.976,1180 5.762,1181 5.773,1182 4.782,1183 4.788,1184 6.687,1185 3.912,1186 14.003,1187 4.654,1188 10.513,1189 1.468,1190 1.474,1191 1.441,1192 1.397,1193 1.394,1194 1.764,1195 0.429,1196 3.511,1197 1.332,1198 3.942,1199 3.969,1200 3.879,1201 3.865,1202 7.433,1203 3.863,1204 3.64,1205 3.705,1206 3.542,1207 3.462,1208 5.432,1209 3.463,1210 3.595,1211 3.665,1212 3.483,1213 3.337,1214 4.812,1215 3.37,1216 3.31,1217 3.367,1218 3.17,1219 3.194,1220 4.301,1221 3.18,1222 3.045,1223 3.065,1224 2.909,1225 2.788,1226 4.187,1227 2.809,1228 2.874,1229 3.009,1230 2.699,1231 2.687,1232 4.046,1233 2.681,1234 2.854,1235 2.934,1236 2.597,1237 2.618,1238 3.691,1239 2.57,1240 2.724,1241 2.767,1242 2.499,1243 2.485,1244 3.467,1245 2.515,1246 0.228,1247 0.209,1248 0.324,1249 0.207,1250 0.155,1251 4.112,1252 0.205,1253 3.762,1254 0.123,1255 5.836,1256 0.45,1257 3.735,1258 0.147,1259 2.788,1260 3.687,1261 2.208,1262 8.103,1263 2.654,1264 1.916,1265 1.891,1266 2.04,1267 2.018,1268 1.234,1269 2.025,1270 1.59,1271 1.53,1272 1.802,1273 1.834,1274 0.92,1275 1.823,1276 1.513,1277 1.439,1278 1.776,1279 1.771,1280 0.832,1281 1.779,1282 1.329,1283 1.273,1284 1.572,1285 1.482,1286 0.67,1287 1.515,1288 0.934,1289 0.902,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.929,1295 0.804,1296 1.153,1297 1.239,1298 0.223,1299 1.19,1300 0.854,1301 0.78,1302 1.125,1303 1.071,1304 0.162,1305 1.102,1306 0.648,1307 0.612,1308 0.978,1309 0.924,1311 0.934,1312 3.611,1314 4.828,1316 6.225,1318 7.706,1320 9.234,1322 3.297,1328 2.208,1329 3.11,1330 5.178,1333 1.39,1337 5.141,1339 2.518,1340 21.687,1341 53.756,1342 125.098,1343 154.608,1344 162.608,1345 162.608,1346 162.608,1347 33.289,1348 5.645,1349 41.57,1350 41.57,1351 6,1352 11.371,1353 3.17,1354 2.807,1355 41.946,1356 59,1357 66,1358 0.358,1359 141.687,1360 251.24,1361 337.475,1362 1604,1364 13.38,1365 0.743,1366 0.598,1367 13.38,1368 10.772,1369 8.63,1370 0.479,1371 0.32,1372 5.652,1373 8.252,1374 5.424,1375 4.619,1376 8.63,1377 5.755,1378 7.205,1379 0.327,1380 0.184,1381 7.205,1382 4.041,1383 5.201,1384 0.217,1385 0.095,1386 5.201,1387 2.286,1388 3.536,1389 0.136,1390 0.052,1391 3.536,1392 1.35,1393 2.712,1394 0.09,1395 0.03,1396 2.712,1397 0.885,1398 0.567,1399 54.419,1400 0.297,1401 18.618,1402 0.958,1403 80,1404 265.449,1405 89.889,1406 255.183,1407 332.94,1408 236,1409 86,1410 230.149,1411 95.311,1412 235.763,1413 331.86,1414 216,1415 6.658}
{0 CHEMBL347527,1 1.497,2 7.75,3 1.658,4 2.75,5 63.663,6 6.539,7 0.375,8 3.58,9 3.718,10 3.013,11 3.006,12 4.654,13 2.976,14 4.103,15 4.328,16 3.266,17 3.318,18 5.157,19 3.256,20 4.235,21 4.445,22 3.259,23 3.427,24 5.255,25 3.333,26 4.359,27 4.613,28 3.116,29 3.325,30 5.371,31 3.221,32 4.088,33 4.323,34 3.063,35 3.226,36 5.092,37 3.139,38 4.044,39 4.259,40 2.944,41 3.223,42 5.059,43 3.094,44 4.12,45 4.415,46 2.639,47 3.09,48 4.956,49 2.906,50 3.825,51 4.094,52 2.27,53 2.786,54 4.736,55 2.581,56 0.015,57 0.462,58 8.005,59 2.911,60 5.494,61 4.281,62 0.354,63 0.656,64 14.344,65 4.288,66 25.322,67 6.581,68 0.099,69 0.71,70 15.913,71 5.684,72 19.702,73 8.135,74 0.322,75 0.672,76 18.853,77 5.369,78 46.448,79 7.952,80 0.175,81 0.604,82 13.986,83 4.257,84 22.62,85 6.461,86 0.152,87 0.597,88 13.154,89 4.514,90 20.671,91 6.696,92 0.181,93 0.545,94 14.402,95 4.38,96 25.774,97 6.829,98 0.224,99 0.402,100 10.828,101 3.284,102 23.864,103 4.967,104 29,105 20,106 0.285,107 0.583,108 0.731,109 0.822,110 0.822,111 0.822,112 2.85,113 0.986,114 -2.81,115 -2.82,116 -2.74,121 35.3,123 1,126 3,127 1,144 4,145 1,146 1,161 1,176 5,179 3,180 2,185 1,187 6,192 2,197 1,200 3,206 6,211 2,214 1,219 4,224 1,232 4,235 1,237 1,259 2,281 284,282 10.491,283 10.491,284 10.491,285 10.491,286 10.491,287 9.637,288 13.931,289 6.548,290 10.802,291 7.856,292 7.856,293 7.856,294 7.856,295 7.856,296 6.497,297 14.379,298 3.072,299 8.273,300 3.591,301 2.025,302 1.251,303 0.772,304 0.772,305 0.772,306 3.474,311 1,312 1,313 238,314 3.317,318 57.633,325 1.375,326 13.178,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 35,338 124,339 4.112,340 3.762,341 5.836,342 3.734,343 2.788,344 3.687,345 2.208,346 8.103,347 2.654,348 3.817,349 2.873,350 5.518,351 3.507,352 2.542,353 3.036,354 0.655,355 7.206,356 2.416,357 3.312,358 2.407,359 4.945,360 2.993,361 2.037,362 2.533,363 0.4,364 5.738,365 1.94,366 2.7,367 1.977,368 3.598,369 2.377,370 1.436,371 1.78,372 0.13,373 2.858,374 1.348,375 2.433,376 1.704,377 3.429,378 2.17,379 1.197,380 1.428,382 2.441,383 1.161,384 2.303,385 1.276,386 3.376,387 1.967,388 1,389 1.191,391 2.272,392 0.949,393 1.382,394 0.678,395 2.492,396 1.234,397 0.273,398 0.294,400 0.44,401 0.262,402 1.173,403 0.467,404 2.406,405 0.74,406 -0.225,407 -0.293,409 -0.559,410 -0.213,411 0.662,412 -0.314,413 1.735,414 0.343,415 -0.633,416 -0.742,418 -1.294,419 -0.614,420 0.484,421 -0.397,422 1.65,423 -0.001,424 -1,425 -1,427 -2,428 -0.9,430 -0.6,431 1.355,432 -0.1,433 -1,434 -1.4,436 -2.409,437 -0.985,438 -0.035,439 -1.018,440 1.074,441 -0.262,442 -1.218,443 -1.451,445 -2.679,446 -1.161,447 -0.25,448 -1.055,449 1,450 -0.506,451 -1.469,452 -1.813,453 -0.4,454 -4.123,455 -1.43,456 -0.5,457 -1.354,458 1,459 -0.853,460 -1.8,461 -1.992,462 -0.4,463 -4.657,464 -1.596,465 -0.756,466 -1.606,467 0.451,468 -1,469 -1.927,470 -2.258,471 -0.889,472 -5.437,473 -1.832,474 7.467,475 0.467,476 0.37,477 0.023,478 18,479 1.125,480 8,481 0.5,482 10,483 0.625,484 10.839,485 0.677,486 18.933,487 0.557,488 12.298,489 0.769,490 3.946,491 0.247,492 3.684,493 0.23,494 0.246,496 0.254,501 0.825,502 1.685,503 0.928,504 1.408,505 0.625,506 1.208,507 0.762,508 0.726,509 0.91,510 0.766,511 0.498,512 0.821,513 0.973,514 1.274,515 1.015,516 1.338,517 0.773,518 1.209,519 1.691,520 0.877,521 1.046,522 0.82,523 1.743,524 0.847,525 1.243,526 1.038,527 1.015,528 0.948,529 1.155,530 0.943,531 0.875,532 1.377,533 1.211,534 1.407,535 0.982,536 1.378,537 0.923,538 0.942,539 1.002,540 0.977,541 1.102,542 0.999,543 1.061,544 0.996,545 1.298,546 1.171,547 1.168,548 1.276,549 3.5,551 1.333,552 0.75,553 0.622,554 0.375,555 0.305,556 0.177,557 0.074,558 0.04,559 1754,560 4584,561 1.861,562 52.9,564 15,567 1,569 2,572 1.549,573 1.714,574 2.998,575 -0.229,577 1,578 1,579 1,582 50.896,583 1.497,584 3.062,585 3.837,586 4.315,587 4.315,588 4.315,589 2.483,590 3.328,591 3.967,592 3.095,593 371.433,594 6.675,595 3297.35,597 1,599 1,600 172.974,601 1.5,602 3.906,603 0.219,605 0.067,606 0.039,607 0.039,608 0.023,609 0.023,610 0.02,611 0.015,612 0.01,613 0.455,614 0.67,615 1,616 1.875,617 65.604,618 -0.022,619 -0.351,620 0.036,621 -0.195,622 -0.047,623 -0.087,624 0.269,625 0.425,626 0.094,627 0.228,628 0.196,629 0.158,630 -0.029,631 -0.213,632 -0.057,633 -0.241,634 0.041,635 -0.161,636 -0.224,637 -0.015,638 -0.012,639 0.111,640 -0.168,641 0.081,642 -0.156,643 -0.005,644 -0.023,645 0.051,646 -0.069,647 0.039,648 -0.005,649 -0.29,650 -0.262,651 -0.333,652 -0.096,653 -0.346,654 -0.076,655 -0.051,656 -0.056,657 -0.046,658 -0.097,659 -0.047,660 -0.005,661 -0.073,662 -0.326,663 -0.24,664 -0.094,665 -0.338,666 2.022,667 4.329,668 0.375,669 11.469,670 0.998,671 1.139,672 1.583,673 2.506,674 0.618,675 2.833,676 3.045,677 3.135,678 3.219,679 3.367,680 3.258,681 3.219,682 3.091,683 2.833,684 2.079,685 4.722,686 0.579,687 222.32,688 2.833,689 4.29,690 5.056,691 5.866,692 6.661,693 7.478,694 8.282,695 9.103,696 9.912,697 10.735,698 5.9,700 1,705 1,715 4,720 2,722 6,737 1,741 34,743 7,744 1,745 16,747 34,748 12,749 6,750 2,751 4,756 1,757 1,770 1,772 7,773 5,777 1,782 1,786 1,790 1,793 18,794 4,795 1,796 4,802 2,808 1,809 2,829 1,853 1,859 1,864 3,868 16,876 2,877 1,878 1,881 1,893 5.9,896 1,898 1,901 9.333,902 6.867,903 3.778,904 1.881,907 1.28,908 1.236,909 0.896,910 5.123,911 6.7,912 3.045,913 3.481,914 3.855,915 4.264,916 4.717,917 4.686,918 4.771,919 4.875,920 4.535,921 3.58,922 1,923 19,924 5.881,926 2.242,927 0.026,929 7.813,931 11.159,933 8.122,936 2.313,937 37,938 0.002,941 200.109,942 82.926,943 21.135,945 36.145,948 82.926,949 236.254,950 21.135,951 25.189,952 7.765,953 55.916,954 25.145,955 19.429,956 6.763,957 200.109,959 200.109,960 104.061,961 36.145,964 176.567,965 59.687,968 25.775,969 78.286,972 200.109,973 57.28,974 82.926,977 200.109,978 19.832,979 66.218,980 18.011,981 36.145,982 200.109,983 57.28,984 82.926,986 0.554,987 0.299,988 0.137,989 0.081,990 7,991 4,992 0.147,993 5,995 1,996 2.805,997 92.818,999 6,1000 62,1005 12.847,1006 6.381,1007 4.455,1009 57.28,1010 7.58,1015 1.741,1017 18.011,1018 340.314,1019 20,1024 11.329,1028 -0.356,1031 33.927,1032 38.737,1034 0.294,1035 0.602,1036 0.754,1037 0.848,1038 0.848,1039 0.848,1040 4.212,1041 -0.225,1042 5.004,1043 0.44,1044 3.714,1045 4.159,1046 2.351,1047 5.68,1048 3.618,1049 5.358,1050 -0.633,1051 6.491,1052 -0.559,1053 3.219,1054 3.829,1055 1.847,1056 6.337,1057 3.061,1058 6.61,1059 -1,1060 8.076,1061 -1.294,1062 5.176,1063 6.155,1064 3.529,1065 9.321,1066 4.986,1067 7.895,1068 -1,1069 9.715,1070 -2,1071 5.442,1072 6.558,1073 3.656,1074 10.723,1075 5.177,1076 9.21,1077 -1.218,1078 11.386,1079 -2.409,1080 6.897,1081 8.429,1082 4.956,1083 13.205,1084 6.61,1085 10.544,1086 -1.469,1087 13.078,1088 -2.679,1089 7.522,1090 9.177,1091 5.37,1092 14.931,1093 7.158,1094 11.892,1095 -1.8,1096 14.782,1097 -4.123,1098 8.748,1099 10.836,1100 6.458,1101 17.202,1102 8.363,1103 2.788,1104 -1.927,1105 16.496,1106 -4.657,1107 9.555,1108 11.777,1109 7.028,1110 19.091,1111 9.094,1112 2.542,1113 8.103,1114 18.216,1115 -5.437,1116 10.67,1117 13.314,1118 7.994,1119 21.263,1120 10.185,1121 2.037,1122 7.206,1123 19.942,1124 3.687,1125 11.572,1126 14.376,1127 8.654,1128 23.239,1129 11.016,1130 1.436,1131 5.738,1132 21.671,1133 3.036,1134 12.632,1135 15.836,1136 9.549,1137 25.363,1138 12.046,1139 1.197,1140 2.858,1141 23.404,1142 2.533,1143 13.585,1144 16.978,1145 10.263,1146 27.386,1147 12.933,1148 1,1149 2.441,1150 25.139,1151 1.78,1152 14.619,1153 18.387,1154 11.116,1155 29.487,1156 13.932,1157 0.273,1158 2.272,1159 26.877,1160 1.428,1161 15.599,1162 19.583,1163 11.862,1164 31.537,1165 14.852,1166 1948,1167 3238,1168 9.94,1169 21.012,1170 22.617,1171 23.488,1172 23.405,1173 22.578,1174 22.546,1175 27.9,1176 6.786,1177 58.114,1178 21.461,1179 4.948,1180 5.762,1181 5.7,1182 4.778,1183 4.788,1184 6.687,1185 3.912,1186 14.003,1187 4.654,1188 9.482,1189 1.414,1190 1.468,1191 1.463,1192 1.411,1193 1.409,1194 1.744,1195 0.424,1196 3.632,1197 1.341,1198 3.941,1199 3.968,1200 3.878,1201 3.864,1202 7.433,1203 3.862,1204 3.628,1205 3.694,1206 3.534,1207 3.357,1208 4.813,1209 3.384,1210 3.534,1211 3.624,1212 3.371,1213 3.311,1214 4.348,1215 3.317,1216 3.142,1217 3.228,1218 2.959,1219 2.931,1220 4.268,1221 2.918,1222 3.028,1223 3.056,1224 2.857,1225 2.785,1226 4.063,1227 2.799,1228 2.874,1229 3.009,1230 2.605,1231 2.618,1232 3.749,1233 2.57,1234 2.75,1235 2.817,1236 2.499,1237 2.55,1238 3.467,1239 2.549,1240 2.664,1241 2.728,1242 2.446,1243 2.46,1244 3.341,1245 2.464,1246 0.257,1247 0.235,1248 0.365,1249 0.233,1250 0.174,1251 4.112,1252 0.23,1253 3.762,1254 0.138,1255 5.836,1256 0.506,1257 3.734,1258 0.166,1259 2.788,1260 3.687,1261 2.208,1262 8.103,1263 2.654,1264 1.915,1265 1.891,1266 2.04,1267 2.018,1268 1.232,1269 2.025,1270 1.537,1271 1.465,1272 1.796,1273 1.829,1274 0.905,1275 1.819,1276 1.493,1277 1.408,1278 1.77,1279 1.752,1280 0.832,1281 1.765,1282 1.15,1283 1.057,1284 1.515,1285 1.397,1286 0.612,1287 1.44,1288 0.934,1289 0.897,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.927,1295 0.804,1296 1.141,1297 1.232,1298 0.222,1299 1.188,1300 0.745,1301 0.674,1302 1.072,1303 0.978,1304 0.162,1305 1.018,1306 0.621,1307 0.58,1308 0.824,1309 0.889,1311 0.896,1312 3.497,1314 4.727,1316 6.142,1318 7.641,1320 9.183,1322 5.232,1328 1.828,1329 3.079,1330 5.163,1333 1.403,1340 19.687,1341 50.896,1342 104.113,1343 130.444,1344 146.709,1345 146.709,1346 146.709,1347 26.313,1348 5.421,1349 41.57,1350 41.57,1351 6,1352 11.317,1353 3,1354 2.322,1355 34.572,1356 44,1357 48,1358 0.396,1359 128.357,1360 221.92,1361 304.95,1362 1126,1364 11.966,1365 0.748,1366 0.624,1367 11.966,1368 9.987,1369 7.63,1370 0.477,1371 0.329,1372 5.151,1373 7.239,1374 4.901,1375 4.208,1376 7.63,1377 5.259,1378 6.498,1379 0.325,1380 0.188,1381 6.498,1382 3.763,1383 4.701,1384 0.214,1385 0.097,1386 4.701,1387 2.132,1388 3.169,1389 0.132,1390 0.051,1391 3.169,1392 1.226,1393 2.518,1394 0.09,1395 0.03,1396 2.518,1397 0.833,1398 0.612,1399 48.523,1400 0.317,1401 16.435,1402 1.1,1403 72,1404 237.449,1405 81.556,1406 224.273,1407 294.38,1408 208,1409 78,1410 205.867,1411 86.978,1412 210.049,1413 297.4,1414 192,1415 6.553}
{0 CHEMBL347539,1 1.522,2 12.083,3 1.122,4 1.259,5 93.218,6 6.843,7 0.2,8 3.941,9 4.089,10 3.42,11 3.384,12 5.034,13 3.364,14 4.496,15 4.719,16 3.674,17 3.739,18 5.411,19 3.681,20 4.731,21 4.992,22 3.633,23 3.821,24 5.656,25 3.707,26 4.725,27 5.006,28 3.63,29 3.802,30 5.749,31 3.68,32 4.664,33 4.92,34 3.525,35 3.764,36 5.63,37 3.646,38 4.629,39 4.901,40 3.356,41 3.674,42 5.61,43 3.533,44 4.43,45 4.715,46 3.188,47 3.489,48 5.337,49 3.34,50 4.338,51 4.629,52 3.152,53 3.402,54 5.179,55 3.263,56 0.036,57 0.721,58 10.958,59 3.731,60 12.99,61 5.766,62 0.207,63 1.06,64 20.407,65 5.95,66 17.653,67 9.547,68 0.426,69 1.169,70 26.782,71 7.607,72 40.359,73 12.268,74 0.345,75 1.156,76 26.506,77 8.005,78 61.16,79 12.671,80 0.31,81 1.072,82 24.912,83 7.508,84 46.171,85 11.646,86 0.409,87 1.011,88 24.397,89 6.647,90 58.301,91 10.828,92 0.244,93 0.845,94 19.677,95 5.7,96 37.514,97 9.321,98 0.217,99 0.759,100 17.972,101 5.198,102 26.739,103 8.596,104 26,105 31,106 0.261,107 0.568,108 0.742,109 0.814,110 0.821,111 0.828,112 3.226,113 0.988,114 -0.63,115 -0.75,116 -0.88,121 35.4,123 2,126 1,127 6,138 1,141 1,144 2,154 2,160 2,176 2,180 6,184 1,185 2,191 1,192 1,195 1,196 1,197 1,205 1,206 1,209 4,211 1,219 2,223 1,224 1,227 2,235 2,237 1,239 2,247 2,249 1,256 1,259 1,261 3,264 1,272 1,274 1,277 1,281 852,282 16.662,283 16.662,284 16.662,285 16.662,286 16.662,287 15.576,288 26.644,289 10.213,290 17,291 12.17,292 12.17,293 12.17,294 12.17,295 12.17,296 10.281,297 34.226,298 4.605,299 12.677,300 4.063,301 2.281,302 1.266,303 0.849,304 0.807,305 0.766,306 3.891,311 1,312 1,313 594,314 4.062,317 161.184,325 2,326 20.228,329 1,330 1,331 0.83,332 0.9,333 1,334 1,335 1,336 0.96,337 52,338 290,339 4.306,340 4.254,341 6.109,342 3.775,343 2.802,344 3.736,345 2.689,346 8.856,347 2.75,348 4.129,349 3.869,350 5.72,351 3.762,352 2.791,353 3.723,354 1.539,355 8.113,356 2.695,357 3.549,358 3.066,359 5.336,360 3.422,361 2.476,362 2.619,363 0.916,364 6.968,365 2.335,366 3.322,367 2.88,368 4.779,369 2.923,370 1.949,371 2.251,372 0.657,373 5.365,374 1.899,375 3.303,376 2.762,377 4.364,378 2.692,379 1.741,380 2.017,381 0.647,382 4.124,383 1.649,384 3.139,385 2.255,386 3.67,387 2.392,388 1.452,389 1.586,390 0.247,391 3.122,392 1.361,393 2.646,394 1.945,395 3.417,396 2.126,397 1.153,398 1.303,399 0.172,400 2.538,401 1.119,402 2.264,403 1.691,404 3.271,405 1.793,406 0.843,407 1.212,409 1.831,410 0.798,411 2.132,412 1.277,413 3.06,414 1.65,415 0.685,416 1.046,418 1.511,419 0.661,420 2.015,421 1.138,422 3,423 1.591,424 0.618,425 0.812,427 1.372,428 0.6,429 1.805,430 0.78,431 2.624,432 1.547,433 0.618,434 0.618,436 0.791,437 0.572,438 1.618,439 0.744,440 2.618,441 1.174,442 0.247,443 0.287,445 0.372,446 0.228,447 1.196,448 0.475,449 2.452,450 0.814,451 -0.125,452 -0.167,454 -0.216,455 -0.117,456 0.847,457 0.099,458 2.331,459 0.64,460 -0.313,461 -0.374,463 -0.744,464 -0.298,465 0.649,466 -0.119,467 1.752,468 0.34,469 -0.587,470 -0.852,472 -1.084,473 -0.542,474 11.233,475 0.468,476 0.324,477 0.014,478 26.75,479 1.115,480 11,481 0.458,482 15.75,483 0.656,484 19.862,485 0.828,486 27.167,487 0.566,488 18.333,489 0.764,490 5.36,491 0.223,492 6.402,493 0.267,494 0.116,496 0.214,501 0.996,502 1.598,503 0.901,504 1.293,505 0.465,506 1.108,507 1.186,508 1.12,509 1.019,510 1.052,511 0.459,512 1.006,513 1.15,514 1.046,515 1.032,516 1.007,517 0.52,518 1.018,519 0.742,520 0.926,521 0.864,522 1.001,523 0.448,524 0.96,525 1.331,526 1.015,527 1.088,528 1.068,529 1.124,530 1.064,531 1.354,532 0.936,533 1.215,534 1.002,535 1.557,536 1.087,537 0.858,538 1.004,539 1.05,540 1.079,541 0.879,542 1.088,543 0.745,544 0.978,545 0.888,546 0.967,547 0.718,548 0.945,549 4,550 0.097,551 1.778,552 1.417,553 0.56,554 0.4,555 0.178,556 0.144,557 0.13,558 0.109,559 7187,560 18917,561 1.996,562 50,564 17,567 3,569 4,572 1.66,573 1.895,574 3.554,575 1.039,576 1,577 1,582 73.042,583 1.522,584 3.304,585 4.319,586 4.736,587 4.778,588 4.819,589 2.924,590 4.085,591 4.559,592 3.778,593 1042.61,594 7.819,595 13651.6,597 1,600 268.078,601 1.236,602 4.528,603 0.16,604 0.006,605 0.057,606 0.051,607 0.02,608 0.016,609 0.009,610 0.008,611 0.008,612 0.006,613 0.341,614 0.33,615 1,616 2.278,617 119.097,618 -0.07,619 -0.276,620 0.038,621 -0.12,622 0.112,623 -0.035,624 -0.117,625 0.015,626 -0.039,627 -0.025,628 0.014,629 -0.013,630 0.016,631 -0.077,632 -0.038,633 -0.025,634 0.115,635 -0.044,636 0.167,637 0.028,638 0.11,639 -0.021,640 0.296,641 0.025,642 -0.138,643 -0.055,644 -0.098,645 -0.061,646 -0.143,647 -0.075,648 -0.156,649 0.018,650 -0.214,651 -0.052,652 -0.267,653 -0.134,654 -0.002,655 -0.046,656 -0.082,657 -0.112,658 -0.016,659 -0.11,660 0.085,661 -0.052,662 0.08,663 0.006,665 0.041,666 1.616,667 2.841,668 0.417,669 24.625,670 0.998,671 1.145,672 -0.604,673 0.364,674 0.632,675 3.258,676 3.466,677 3.664,678 3.807,679 3.664,680 3.664,681 3.738,682 3.738,683 3.761,684 3.738,685 7.45,686 0.596,687 328.47,688 3.258,689 4.727,690 5.525,691 6.344,692 7.154,693 7.977,694 8.791,695 9.616,696 10.433,697 11.259,698 12.5,700 3,701 1,707 2,715 2,718 1,720 2,722 5,741 48,743 8,745 25,747 49,748 17,749 4,756 2,757 2,767 2,770 2,771 2,772 6,773 9,777 1,786 2,789 1,790 1,792 1,793 24,794 7,795 3,796 7,802 6,808 1,809 1,825 1,828 2,838 2,850 1,853 3,855 1,859 2,864 1,868 24,876 8,877 3,881 1,885 2,889 2,891 2,893 2.1,898 1,901 12.667,902 8.683,903 5.778,904 2.949,907 1.47,908 1.229,909 0.933,910 7.646,911 7.898,912 3.512,913 3.876,914 4.355,915 4.763,916 4.636,917 4.632,918 4.797,919 4.863,920 4.953,921 5.141,922 0.875,923 28,924 8.816,926 3.495,927 0.026,929 7.778,931 16.972,933 13.16,936 2.278,937 54.667,941 247.193,942 94.667,943 119.275,945 9.507,948 94.667,949 256.7,950 119.275,951 8.396,952 17.703,953 72.985,954 33.203,955 80.264,956 10.898,957 247.193,959 247.193,960 213.942,961 9.507,964 200.109,965 56.592,968 136.979,969 76.964,972 247.193,973 128.783,974 94.667,977 247.193,978 34.114,979 30.473,980 87.236,981 71.626,982 247.193,983 128.783,984 94.667,986 0.545,987 0.327,988 0.175,989 0.068,990 11,991 5,992 0.184,993 9,995 1,996 3.808,997 166.11,999 10,1000 102.039,1005 18.353,1006 9.998,1007 5.872,1009 128.783,1010 4.051,1013 5.835,1015 1.934,1017 54.032,1018 470.643,1019 32.5,1028 0.503,1031 47.891,1032 54.936,1034 0.272,1035 0.592,1036 0.773,1037 0.848,1038 0.855,1039 0.863,1040 4.73,1041 0.843,1042 5.442,1043 2.538,1044 4.143,1045 4.559,1046 3.158,1047 6.133,1048 4.066,1049 5.88,1050 0.685,1051 6.925,1052 1.831,1053 3.434,1054 4.06,1055 0.325,1056 6.823,1057 3.341,1058 7.144,1059 0.618,1060 8.505,1061 1.511,1062 5.617,1063 6.564,1064 4.775,1065 9.838,1066 5.474,1067 8.443,1068 0.618,1069 10.146,1070 1.372,1071 5.832,1072 7.048,1073 0.393,1074 11.39,1075 5.673,1076 9.777,1077 0.247,1078 11.826,1079 0.791,1080 7.347,1081 8.885,1082 6.666,1083 13.851,1084 7.145,1085 11.133,1086 -0.125,1087 13.533,1088 0.372,1089 7.982,1090 9.805,1091 0.384,1092 15.743,1093 7.765,1094 12.507,1095 -0.313,1096 15.258,1097 -0.216,1098 9.222,1099 11.366,1100 8.619,1101 18.014,1102 8.968,1103 2.802,1104 -0.587,1105 16.996,1106 -0.744,1107 10.056,1108 12.49,1109 0.351,1110 20.05,1111 9.785,1112 2.791,1113 8.856,1114 18.745,1115 -1.084,1116 11.176,1117 13.925,1118 10.59,1119 22.251,1120 10.873,1121 2.476,1122 8.113,1123 20.501,1124 3.736,1125 12.106,1126 15.148,1127 0.312,1128 24.352,1129 11.783,1130 1.949,1131 6.968,1132 22.263,1133 3.723,1134 13.173,1135 16.522,1136 12.566,1137 26.526,1138 12.821,1139 1.741,1140 5.365,1141 24.03,1142 2.619,1143 14.149,1144 17.792,1145 0.273,1146 28.659,1147 13.776,1148 1.452,1149 4.124,1150 25.801,1151 2.251,1152 15.191,1153 19.138,1154 14.544,1155 30.825,1156 14.792,1157 1.153,1158 3.122,1159 27.576,1160 2.017,1161 16.191,1162 20.431,1163 0.236,1164 32.973,1165 15.77,1166 7229,1167 11852,1168 16.583,1169 30.341,1170 37.252,1171 39.439,1172 36.415,1173 34.751,1174 34.748,1175 42.418,1176 13.739,1177 89.922,1178 33.336,1179 5.239,1180 6.054,1181 5.882,1182 4.814,1183 4.802,1184 6.462,1185 5.379,1186 14.733,1187 4.689,1188 11.351,1189 1.49,1190 1.578,1191 1.457,1192 1.39,1193 1.39,1194 1.697,1195 0.55,1196 3.597,1197 1.333,1198 3.978,1199 4.01,1200 3.913,1201 3.815,1202 6.856,1203 3.834,1204 3.795,1205 3.861,1206 3.745,1207 3.632,1208 6.782,1209 3.653,1210 3.776,1211 3.824,1212 3.659,1213 3.624,1214 5.039,1215 3.624,1216 3.525,1217 3.601,1218 3.395,1219 3.329,1220 4.508,1221 3.333,1222 3.274,1223 3.373,1224 3.124,1225 3.018,1226 4.309,1227 3.026,1228 3.17,1229 3.263,1230 2.978,1231 2.977,1232 4.204,1233 2.964,1234 2.966,1235 3.072,1236 2.915,1237 2.719,1238 3.887,1239 2.715,1240 2.912,1241 2.981,1242 2.766,1243 2.671,1244 3.622,1245 2.713,1246 0.172,1247 0.17,1248 0.244,1249 0.151,1250 0.112,1251 4.306,1252 0.149,1253 4.254,1254 0.108,1255 6.109,1256 0.354,1257 3.775,1258 0.11,1259 2.802,1260 3.736,1261 2.689,1262 8.856,1263 2.75,1264 1.72,1265 1.668,1266 1.892,1267 1.937,1268 1.211,1269 1.927,1270 1.634,1271 1.584,1272 1.86,1273 1.849,1274 1.117,1275 1.839,1276 1.598,1277 1.552,1278 1.818,1279 1.801,1280 1.099,1281 1.796,1282 1.577,1283 1.507,1284 1.758,1285 1.751,1286 0.879,1287 1.793,1288 1.401,1289 1.338,1290 1.641,1291 1.591,1292 0.749,1293 1.61,1294 1.259,1295 1.203,1296 1.518,1297 1.502,1298 0.715,1299 1.511,1300 1.233,1301 1.131,1302 1.47,1303 1.492,1304 0.45,1305 1.488,1306 0.884,1307 0.784,1308 1.224,1309 1.21,1310 0.359,1311 1.21,1312 3.932,1314 5.165,1315 3.045,1316 6.567,1317 5.209,1318 8.045,1319 7.111,1320 9.566,1322 1.676,1328 7.729,1329 9.135,1333 2.41,1338 17.683,1339 3.712,1340 28.584,1341 73.042,1342 158.613,1343 207.323,1344 227.323,1345 229.323,1346 231.323,1347 45.584,1348 6.428,1349 100.05,1350 100.05,1351 10,1352 11.837,1353 3.17,1354 3.087,1355 48.959,1356 110,1357 80,1358 0.215,1359 183.324,1360 323.35,1361 439.07,1362 5119,1364 17.2,1365 0.717,1366 0.586,1367 17.2,1368 14.061,1369 11.762,1370 0.47,1371 0.329,1372 8.089,1373 11.223,1374 7.904,1375 6.601,1376 11.762,1377 8.233,1378 9.314,1379 0.3,1380 0.183,1381 9.314,1382 5.678,1383 7.718,1384 0.203,1385 0.103,1386 7.718,1387 3.922,1388 6.117,1389 0.139,1390 0.061,1391 6.117,1392 2.689,1393 3.537,1394 0.093,1395 0.036,1396 3.537,1397 1.353,1398 0.355,1399 74.219,1400 0.246,1401 24.441,1402 0.541,1403 112,1404 335.669,1405 124.228,1406 328.256,1407 436.02,1408 306,1409 125,1410 307.428,1411 137.951,1412 311.632,1413 442.08,1414 291,1415 6.553}
{0 CHEMBL347667,1 1.399,2 5.5,3 2.074,4 4.301,5 52.458,6 7.393,7 0.4,8 3.365,9 3.453,10 2.91,11 2.9,12 4.531,13 2.887,14 3.893,15 4.042,16 3.282,17 3.295,18 4.976,19 3.269,20 4.094,21 4.24,22 3.37,23 3.38,24 5.371,25 3.341,26 4.142,27 4.335,28 3.076,29 3.232,30 5.331,31 3.154,32 3.904,33 4.11,34 2.774,35 2.901,36 5.177,37 2.811,38 3.673,39 3.932,40 2.244,41 2.55,42 4.765,43 2.391,44 3.271,45 3.548,46 1.556,47 2.06,48 4.241,49 1.883,50 2.755,51 3.062,52 0.633,53 1.542,54 3.689,55 1.27,56 0.045,57 0.325,58 5.355,59 2.704,60 8.25,61 3.184,62 0.133,63 0.53,64 10.202,65 4.445,66 18.694,67 5.477,68 0.239,69 0.627,70 12.709,71 5.242,72 30.666,73 6.496,74 0.285,75 0.614,76 14.597,77 5.139,78 47.777,79 6.481,80 0.309,81 0.467,82 11.804,83 3.922,84 53.917,85 5.093,86 0.286,87 0.358,88 9.923,89 3.073,90 37.194,91 4.268,92 0.184,93 0.225,94 6.885,95 1.923,96 23.667,97 2.639,98 0.099,99 0.133,100 4.063,101 1.165,102 17.917,103 1.703,104 18,105 22,106 0.282,107 0.681,108 0.844,109 0.859,110 0.859,111 0.859,112 2.736,113 0.915,114 -3.06,115 -3.06,116 -2.95,121 42.3,122 1,123 1,124 1,126 1,144 2,145 2,146 2,159 1,176 6,180 3,185 1,187 7,192 6,195 1,197 2,200 6,206 3,211 1,214 2,219 1,222 1,224 2,231 1,232 1,237 1,281 124,282 9.163,283 9.163,284 9.163,285 9.163,286 9.163,287 8.319,288 11.999,289 5.115,290 9.345,291 7.284,292 7.284,293 7.284,294 7.284,295 7.284,296 5.834,297 12.479,298 2.313,299 7.477,300 3.301,301 1.328,302 0.52,303 0.443,304 0.443,305 0.443,306 3.368,311 1,312 1,313 158,314 2,317 25.992,318 30.169,321 47.288,325 0.929,326 19.155,329 1,330 0.83,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.85,337 31,338 77,339 4.515,340 3.781,341 6.687,342 4.203,343 3.198,344 4.163,345 1.277,346 10.745,347 3.216,348 3.972,349 3.119,350 5.991,351 3.629,352 2.67,353 3.352,354 0.86,355 8.385,356 2.549,357 3.274,358 2.529,359 5.312,360 2.934,361 1.934,362 2.481,364 6.051,365 1.925,366 3.045,367 2.054,368 4.834,369 2.767,370 1.783,371 2.175,373 5.249,374 1.753,375 2.476,376 1.827,377 4.072,378 2.188,379 1.232,380 1.417,382 3.175,383 1.161,384 1.774,385 1.207,386 2.996,387 1.409,388 0.477,389 0.576,391 0.861,392 0.435,393 1.269,394 0.704,395 2.709,396 0.972,402 0.72,403 -0.114,404 2.342,405 0.371,406 -0.573,407 -0.633,409 -1.315,410 -0.537,411 0.552,412 -0.349,413 2.198,414 0.266,415 -0.722,416 -0.956,418 -1.952,419 -0.703,420 0.045,421 -0.772,422 1.644,423 -0.191,424 -1.195,425 -1.406,427 -3.019,428 -1.172,429 -0.153,430 -1.125,431 1.342,432 -0.461,433 -1.448,434 -1.747,436 -4.144,437 -1.395,438 -0.5,439 -1.191,440 1.254,441 -0.741,442 -1.631,443 -1.886,445 -4.71,446 -1.51,447 -0.511,448 -1.585,449 1.096,450 -0.792,451 -1.791,452 -2.178,454 -5.771,455 -1.808,456 -0.657,457 -1.746,458 1.045,459 -0.954,460 -1.934,461 -2.359,462 -0.86,463 -6.604,464 -1.916,465 -0.82,466 -2,467 0.478,468 -1,469 -2,470 -3,471 -1.277,472 -6.951,473 -2,474 6.5,475 0.464,476 0.456,477 0.033,478 17,479 1.214,480 8.5,481 0.607,482 8.5,483 0.607,484 9.523,485 0.68,486 15.7,487 0.604,488 10.429,489 0.745,490 3.298,491 0.236,492 3.332,493 0.238,494 0.256,496 0.462,501 0.792,502 1.096,503 0.793,504 1.075,505 0.726,506 0.958,507 0.844,508 0.881,509 0.727,510 0.861,511 0.604,512 0.782,513 0.852,514 1.21,515 0.944,516 1.199,517 0.936,518 1.111,519 1.265,520 1.116,521 1.19,522 1.115,523 1.44,524 1.131,525 1.113,526 1.131,527 1.15,528 1.136,529 1.052,530 1.149,531 0.927,532 0.932,533 1.075,534 0.953,535 0.917,536 1.033,537 1.429,538 0.708,539 1.233,540 0.729,541 1.097,542 0.899,543 1.082,544 0.785,545 1.234,546 0.828,547 1.703,548 1.026,549 3.5,551 2.222,552 1.639,553 0.799,554 0.532,555 0.137,559 1110,560 3398,561 1.952,562 46.2,563 5,564 5,567 1,568 1,572 1.514,573 1.75,574 2.53,575 -0.235,579 1,582 36.383,583 1.399,584 3.372,585 4.181,586 4.258,587 4.258,588 4.258,589 1.985,590 3.379,591 3.78,592 2.549,593 231.959,594 6.326,595 1765.07,597 1,600 122.211,601 1.557,602 3.689,603 0.233,605 0.101,606 0.074,607 0.053,608 0.053,609 0.027,613 0.543,614 1,615 1,616 1.06,617 51.333,618 -0.07,619 0.027,620 0.015,621 0.033,622 -0.086,623 0.042,624 -0.061,625 0.172,626 0.151,627 0.188,628 0.006,629 0.214,630 0.067,631 -0.187,632 -0.042,633 -0.186,634 0.026,635 -0.148,636 -0.189,637 -0.164,638 -0.218,639 -0.17,640 -0.199,641 -0.196,642 0.018,643 -0.208,644 -0.148,645 -0.217,646 0.041,647 -0.221,648 0.102,649 -0.054,650 -0.044,651 -0.065,652 0.051,653 -0.085,654 -0.248,655 0.135,656 -0.151,657 0.123,658 -0.113,659 0.028,660 -0.157,661 0.041,662 -0.178,663 0.024,664 -0.298,665 -0.064,666 1.631,667 4.596,668 0.643,669 6.959,670 1.011,671 1.12,672 1.834,673 3.363,674 0.651,675 2.773,676 3.135,677 3.434,678 3.664,679 3.829,680 3.829,681 3.829,682 3.611,683 2.708,684 1.792,685 3.427,686 0.627,687 192.23,688 2.773,689 4.317,690 5.187,691 6.084,692 6.976,693 7.877,694 8.775,695 9.677,696 10.577,697 11.478,715 2,720 4,722 6,727 1,738 1,739 1,741 26,743 7,744 1,745 15,747 27,748 11,749 6,750 4,751 2,752 1,756 2,757 3,763 1,767 1,768 1,770 1,772 7,773 4,774 1,777 1,782 1,786 1,790 1,793 12,794 3,795 1,796 3,808 0.5,809 3,828 1,829 1,832 1,859 1,864 2,868 14,875 1,876 1,878 1,880 1,893 11.5,895 1,896 1,898 1,901 8,902 5.283,903 3.111,904 1.529,907 1.388,908 1.242,909 0.902,910 2.137,911 7.127,912 2.996,913 3.597,914 4.178,915 4.681,916 5.185,917 5.362,918 5.504,919 5.384,920 4.691,921 3.726,922 0.75,923 22,924 5.184,925 0.002,926 2.235,927 0.026,929 8.048,931 9.705,932 0.001,933 8.015,934 -0.001,936 2.548,937 35.667,938 0.004,941 129.482,942 57.943,945 78.828,948 57.943,949 208.31,951 19.708,952 2.535,953 18.952,954 72.962,955 22.614,957 129.482,959 129.482,960 57.943,961 78.828,964 129.482,965 78.828,968 11.36,969 46.584,972 129.482,973 78.828,974 57.943,977 129.482,978 19.283,979 38.661,981 78.828,982 129.482,983 78.828,984 57.943,986 0.596,987 0.373,988 0.191,989 0.1,990 12,991 6,992 0.037,993 1,994 1,995 1.222,996 2.5,997 91.111,998 0.222,999 9,1000 53.303,1005 9.376,1006 3.191,1007 1.384,1009 78.828,1010 3.242,1015 2.076,1017 42.683,1018 266.254,1019 19,1024 11.596,1028 0.109,1031 26.284,1032 29.119,1034 0.298,1035 0.717,1036 0.889,1037 0.906,1038 0.906,1039 0.906,1040 4.256,1041 -0.573,1042 5.22,1044 3.807,1045 4.277,1046 1.748,1047 6.089,1048 3.772,1049 5.486,1050 -0.722,1051 6.832,1052 -1.315,1053 3.611,1054 4.29,1056 7.091,1057 3.578,1058 6.822,1059 -1.195,1060 8.539,1061 -1.952,1062 5.468,1063 6.482,1064 2.004,1065 10.193,1066 5.423,1067 8.193,1068 -1.448,1069 10.296,1070 -3.019,1071 6.043,1072 7.252,1074 11.971,1075 6.005,1076 9.595,1077 -1.631,1078 12.083,1079 -4.144,1080 7.439,1081 8.995,1082 2.352,1083 14.607,1084 7.4,1085 11.017,1086 -1.791,1087 13.891,1088 -4.71,1089 8.346,1090 10.097,1092 16.719,1093 8.318,1094 12.455,1095 -1.934,1096 15.714,1097 -5.771,1098 9.579,1099 11.664,1100 2.759,1101 19.187,1102 9.555,1103 3.198,1104 -2,1105 17.549,1106 -6.604,1107 10.627,1108 12.924,1110 21.445,1111 10.616,1112 2.67,1113 10.745,1114 19.393,1115 -6.951,1116 11.802,1117 14.414,1118 3.203,1119 23.849,1120 11.8,1121 1.934,1122 8.385,1123 21.245,1124 4.163,1125 12.91,1126 15.752,1128 26.171,1129 12.92,1130 1.783,1131 6.051,1132 23.104,1133 3.352,1134 14.068,1135 17.207,1136 3.667,1137 28.552,1138 14.088,1139 1.232,1140 5.249,1141 24.968,1142 2.481,1143 15.201,1144 18.585,1146 30.902,1147 15.233,1148 0.477,1149 3.175,1150 26.837,1151 2.175,1152 16.355,1153 20.024,1154 4.142,1155 33.276,1156 16.397,1158 0.861,1159 28.71,1160 1.417,1161 17.501,1162 21.423,1164 35.638,1165 17.554,1166 1209,1167 2161,1168 9.364,1169 16.932,1170 22.915,1171 24.525,1172 24.584,1173 22.58,1174 22.587,1175 28.329,1176 4.275,1177 68.933,1178 22.08,1179 5.335,1180 5.781,1181 6.209,1182 5.203,1183 5.198,1184 7.163,1185 2.555,1186 17.696,1187 5.216,1188 8.057,1189 1.528,1190 1.635,1191 1.639,1192 1.505,1193 1.506,1194 1.889,1195 0.285,1196 4.596,1197 1.472,1198 4.035,1199 4.049,1200 3.99,1201 3.963,1202 7.426,1203 3.967,1204 3.566,1205 3.596,1206 3.477,1207 3.413,1208 6.47,1209 3.42,1210 3.212,1211 3.286,1212 3.013,1213 2.952,1214 4.754,1215 2.955,1216 2.999,1217 3.062,1218 2.864,1219 2.832,1220 4.349,1221 2.827,1222 2.938,1223 2.98,1224 2.753,1225 2.706,1226 3.928,1227 2.7,1228 2.581,1229 2.654,1230 2.369,1231 2.302,1232 3.535,1233 2.311,1234 2.443,1235 2.485,1236 2.233,1237 2.145,1238 3.35,1239 2.157,1240 2.023,1241 2.097,1242 1.763,1243 1.523,1244 2.869,1245 1.579,1246 0.301,1247 0.252,1248 0.446,1249 0.28,1250 0.213,1251 4.515,1252 0.278,1253 3.781,1254 0.085,1255 6.687,1256 0.716,1257 4.203,1258 0.214,1259 3.198,1260 4.163,1261 1.277,1262 10.745,1263 3.216,1264 1.877,1265 1.868,1266 1.957,1267 1.971,1268 1.206,1269 1.963,1270 1.644,1271 1.599,1272 1.864,1273 1.808,1274 1.059,1275 1.829,1276 1.215,1277 1.16,1278 1.571,1279 1.521,1280 0.583,1281 1.536,1282 0.988,1283 0.932,1284 1.339,1285 1.241,1286 0.47,1287 1.269,1288 0.891,1289 0.833,1290 1.069,1291 1.164,1292 0.159,1293 1.132,1294 0.671,1295 0.587,1296 1.001,1297 0.927,1298 0.041,1299 0.961,1300 0.175,1301 0.117,1302 0.632,1303 0.673,1305 0.658,1308 0.349,1309 0.246,1311 0.27,1312 3.434,1314 4.779,1315 2.398,1316 6.326,1317 4.844,1318 7.962,1319 7.002,1320 9.646,1322 3.396,1327 9.501,1328 0.741,1330 4.979,1332 0.025,1340 16.305,1341 36.383,1342 87.682,1343 108.702,1344 110.702,1345 110.702,1346 110.702,1347 25.115,1348 5.74,1349 46.53,1350 46.53,1351 11,1352 11.999,1353 3,1354 2.322,1355 21.199,1356 31,1357 26,1358 0.405,1359 101.779,1360 179.05,1361 240.1,1362 1586,1364 10.293,1365 0.735,1366 0.586,1367 10.293,1368 8.203,1369 6.63,1370 0.442,1371 0.305,1372 4.502,1373 6.347,1374 4.321,1375 3.604,1376 6.63,1377 4.573,1378 6.113,1379 0.278,1380 0.166,1381 6.113,1382 3.651,1383 5.432,1384 0.181,1385 0.088,1386 5.432,1387 2.644,1388 4.208,1389 0.111,1390 0.049,1391 4.208,1392 1.86,1393 3.205,1394 0.071,1395 0.027,1396 3.205,1397 1.193,1398 0.58,1399 42.051,1400 0.327,1401 13.656,1402 1.272,1403 74,1404 241.621,1405 81.086,1406 226.59,1407 299.72,1408 210,1409 89,1410 210.212,1411 96.419,1412 213.82,1413 311.97,1414 199,1415 6.42}
{0 CHEMBL347729,1 1.632,2 11.136,3 0.81,4 0.656,5 83.959,6 6.876,7 0.217,8 3.901,9 4.047,10 3.387,11 3.251,12 4.976,13 3.25,14 4.462,15 4.687,16 3.672,17 3.616,18 5.58,19 3.593,20 4.636,21 4.874,22 3.525,23 3.73,24 5.528,25 3.619,26 4.727,27 5.012,28 3.573,29 3.71,30 5.605,31 3.583,32 4.653,33 4.911,34 3.49,35 3.612,36 5.611,37 3.532,38 4.588,39 4.856,40 3.206,41 3.509,42 5.58,43 3.375,44 4.322,45 4.589,46 3.155,47 3.32,48 5.279,49 3.203,50 4.301,51 4.589,52 3.154,53 3.258,54 5.181,55 3.173,56 0.153,57 0.643,58 10.772,59 3.326,60 9.113,61 5.331,62 0.42,63 0.925,64 20.299,65 5.026,66 48.562,67 8.453,68 0.558,69 0.987,70 24.438,71 7.13,72 34.873,73 11.013,74 0.505,75 0.979,76 27.006,77 7.158,78 40.675,79 12.202,80 0.548,81 0.874,82 25.585,83 6.1,84 45.364,85 10.043,86 0.645,87 0.774,88 24.304,89 5.973,90 68.532,91 9.576,92 0.362,93 0.653,94 18.004,95 4.697,96 39.167,97 7.87,98 0.395,99 0.606,100 18.029,101 4.256,102 32.601,103 7.21,104 25,105 30,106 0.287,107 0.576,108 0.733,109 0.811,110 0.835,111 0.843,112 3.144,113 0.954,114 -1.4,115 -1.48,116 -1.54,121 31.1,126 2,127 6,139 1,141 1,144 2,154 2,168 2,176 1,179 1,180 2,183 1,191 2,192 1,195 3,197 1,205 2,206 1,209 2,211 1,223 1,231 1,232 1,235 2,244 1,247 2,259 1,261 1,268 2,269 1,274 1,281 652,282 14.499,283 14.499,284 14.499,285 14.499,286 14.499,287 13.347,288 24.402,289 8.907,290 14.896,291 11.404,292 11.404,293 11.404,294 11.404,295 11.404,296 9.617,297 35,298 4.278,299 12.013,300 3.86,301 2.218,302 1.322,303 0.878,304 0.745,305 0.7,306 3.804,311 1,312 1,313 501,314 3.742,317 142.23,325 1.694,326 21.249,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 49.5,338 245,339 4.172,340 3.695,341 6.167,342 3.813,343 2.889,344 3.735,345 2.612,346 9.147,347 2.739,348 4.124,349 3.143,350 5.675,351 3.753,352 2.763,353 3.643,354 0.916,355 7.971,356 2.667,357 3.676,358 3.009,359 5.03,360 3.189,361 2.243,362 2.923,363 0.886,364 6.084,365 2.124,366 3.37,367 2.627,368 4.753,369 3.089,370 2.133,371 2.507,372 0.657,373 5.332,374 2.035,375 2.921,376 2.107,377 4.338,378 2.725,379 1.782,380 1.955,381 0.4,382 4.342,383 1.673,384 2.757,385 1.87,386 4.122,387 2.499,388 1.549,389 1.733,390 0.172,391 3.754,392 1.468,393 2.403,394 1.504,395 3.55,396 2.113,397 1.164,398 1.34,400 2.767,401 1.103,402 2.217,403 1.352,404 3.403,405 2.02,406 1.086,407 1.144,409 2.376,410 1.011,411 2.101,412 1,413 3.27,414 1.729,415 0.736,416 1.028,418 1.744,419 0.731,420 1.393,421 0.83,422 2.838,423 1.27,424 0.32,425 0.34,427 0.741,428 0.303,429 1.06,430 0.532,431 2.431,432 0.72,433 -0.237,434 -0.278,436 -0.6,437 -0.226,438 1,439 0.23,440 2.368,441 0.619,442 -0.34,443 -0.4,445 -0.892,446 -0.325,447 0.815,448 0.031,449 2.083,450 0.262,451 -0.68,452 -0.755,454 -1.722,455 -0.637,456 0.438,457 -0.286,458 1.523,460 -1,461 -1,463 -2,464 -0.9,466 -0.6,467 1.419,468 -0.1,469 -1,470 -1.289,472 -2,473 -1,474 10,475 0.455,476 0.544,477 0.025,478 23.25,479 1.057,480 8,481 0.364,482 15.25,483 0.693,484 17.623,485 0.801,486 26.6,487 0.591,488 16.886,489 0.768,490 5.084,491 0.231,492 5.457,493 0.248,494 0.167,496 0.27,501 0.657,502 1.862,503 0.851,504 1.454,505 0.513,506 1.217,507 0.949,508 1.104,509 0.948,510 0.963,511 0.377,512 0.918,513 0.926,514 0.985,515 1.162,516 1.153,517 0.645,518 1.211,519 0.482,520 1.16,521 0.766,522 1.108,523 0.379,524 1.011,525 1.314,526 0.94,527 1.08,528 0.954,529 1.043,530 0.966,531 1.33,532 0.775,533 1.224,534 0.918,535 1.744,536 1.051,537 0.785,538 1.174,539 0.95,540 1.14,541 0.88,542 1.094,543 1.008,544 0.732,545 0.832,546 0.701,547 0.755,548 0.715,549 5,550 0.086,551 1.556,552 1.389,553 0.765,554 0.591,555 0.234,556 0.178,557 0.118,558 0.125,559 5397,560 15633,561 1.969,562 51.1,564 20,565 1,567 2,572 1.637,573 1.833,574 3.439,575 0.438,577 1,579 1,582 73.424,583 1.632,584 3.274,585 4.169,586 4.614,587 4.747,588 4.792,589 2.88,590 3.914,591 4.432,592 3.639,593 840.583,594 7.57,595 10045.3,597 1,600 247.133,601 1.435,602 4.382,603 0.217,604 0.007,605 0.052,606 0.058,607 0.031,608 0.026,609 0.015,610 0.011,611 0.007,612 0.008,613 0.431,614 0.33,615 1,616 1.279,617 105.029,618 0.126,619 -0.409,620 0.071,621 -0.191,622 0.022,623 -0.092,624 -0.034,625 0.096,626 0.024,627 0.067,628 0.246,629 0.08,630 -0.029,631 0.107,632 -0.211,633 -0.088,634 -0.063,635 -0.187,636 0.219,637 -0.207,638 0.167,639 -0.105,640 0.146,641 0.002,642 -0.197,643 0.01,644 -0.08,646 -0.104,647 -0.009,648 -0.184,649 0.126,650 -0.222,651 0.019,652 -0.278,653 -0.105,654 0.063,655 -0.201,656 0.001,657 -0.132,658 0.018,659 -0.09,660 -0.047,661 0.166,662 0.153,663 0.219,664 -0.022,665 0.238,666 2.427,667 3.526,668 0.455,669 19.661,670 1.01,671 1.152,672 0.174,673 0.03,674 0.605,675 3.178,676 3.434,677 3.555,678 3.784,679 3.714,680 3.689,681 3.664,682 3.526,683 3.584,684 3.714,685 6.744,686 0.578,687 309.42,688 3.178,689 4.673,690 5.46,691 6.301,692 7.109,693 7.953,694 8.77,695 9.613,696 10.436,697 11.278,698 11.1,700 2,701 2,710 1,715 2,718 1,720 2,722 5,741 45,743 8,745 23,747 46,748 14,749 4,756 2,757 2,772 6,773 8,777 3,779 1,782 2,784 1,786 1,789 1,790 1,792 1,793 23,794 7,795 2,796 8,802 5,808 1,809 3,828 2,853 2,854 1,855 2,859 2,864 2,868 22,876 6,877 2,881 2,893 6.7,898 1,899 2,901 12,902 8.35,903 4.944,904 2.515,907 1.355,908 1.213,909 0.923,910 6.389,911 7.715,912 3.384,913 3.855,914 4.172,915 4.616,916 4.646,917 4.67,918 4.692,919 4.47,920 4.619,921 4.964,922 1,923 24,924 8.102,926 3.248,927 0.026,929 7.886,931 15.435,933 11.923,936 2.386,937 52.5,941 247.193,942 70.652,943 47.94,945 60.254,948 70.652,949 307.447,950 47.94,951 22.463,952 21.682,953 54.974,955 18.084,956 22.669,957 235.422,958 50.747,959 247.193,960 118.593,961 60.254,964 247.193,965 9.507,966 50.747,968 54.904,969 63.688,972 247.193,973 108.194,974 70.652,977 247.193,978 25.86,979 56.711,980 36.022,981 60.254,982 247.193,983 108.194,984 70.652,986 0.564,987 0.29,988 0.164,989 0.08,990 12,991 6,992 0.174,993 8,995 1,996 3.562,997 150.137,999 10,1000 94.107,1005 16.959,1006 8.288,1007 5.728,1009 102.524,1010 3.959,1013 5.709,1015 1.846,1017 36.022,1018 426.04,1019 28.5,1021 -0.427,1024 21.051,1026 1.021,1028 0.582,1031 45.443,1032 51.857,1034 0.297,1035 0.596,1036 0.759,1037 0.84,1038 0.864,1039 0.872,1040 4.598,1041 1.086,1042 5.416,1043 2.767,1044 4.111,1045 4.538,1046 2.783,1047 6.12,1048 4.014,1049 5.752,1050 0.736,1051 6.905,1052 2.376,1053 3.611,1054 4.331,1055 2.431,1056 6.804,1057 3.466,1058 7.021,1059 0.32,1060 8.487,1061 1.744,1062 5.595,1063 6.555,1064 4.188,1065 9.83,1066 5.405,1067 8.322,1068 -0.237,1069 10.126,1070 0.741,1071 5.889,1072 7.163,1073 4.516,1074 11.368,1075 5.651,1076 9.654,1077 -0.34,1078 11.802,1079 -0.6,1080 7.341,1081 8.865,1082 5.952,1083 13.874,1084 7.062,1085 11.005,1086 -0.68,1087 13.505,1088 -0.892,1089 8.015,1090 9.834,1091 6.557,1092 15.781,1093 7.687,1094 12.371,1095 -1,1096 15.229,1097 -1.722,1098 9.24,1099 11.321,1100 7.795,1101 18.093,1102 8.87,1103 2.889,1104 -1,1105 16.969,1106 -2,1107 10.101,1108 12.461,1109 8.548,1110 20.162,1111 9.682,1112 2.763,1113 9.147,1114 18.721,1115 -2,1116 11.225,1117 13.851,1118 9.67,1119 22.402,1120 10.763,1121 2.243,1122 7.971,1123 20.483,1124 3.735,1125 12.179,1126 15.076,1127 10.509,1128 24.541,1129 11.668,1130 2.133,1131 6.084,1132 22.253,1133 3.643,1134 13.258,1135 16.421,1136 11.563,1137 26.754,1138 12.702,1139 1.782,1140 5.332,1141 24.029,1142 2.923,1143 14.258,1144 17.687,1145 12.452,1146 28.927,1147 13.653,1148 1.549,1149 4.342,1150 25.811,1151 2.507,1152 15.318,1153 19.012,1154 13.468,1155 31.131,1156 14.666,1157 1.164,1158 3.754,1159 27.598,1160 1.955,1161 16.341,1162 20.298,1163 14.386,1164 33.32,1165 15.64,1166 5479,1167 9489,1168 14.909,1169 27.245,1170 33.482,1171 34,1172 34.12,1173 33.356,1174 33.332,1175 40.695,1176 11.288,1177 88.515,1178 31.706,1179 5.141,1180 5.474,1181 5.857,1182 4.871,1183 4.889,1184 6.347,1185 4.612,1186 15.26,1187 4.653,1188 12.387,1189 1.456,1190 1.478,1191 1.483,1192 1.45,1193 1.449,1194 1.769,1195 0.491,1196 3.848,1197 1.379,1198 3.97,1199 4.01,1200 3.911,1201 3.798,1202 7.816,1203 3.82,1204 3.906,1205 3.944,1206 3.856,1207 3.671,1208 6.999,1209 3.702,1210 3.625,1211 3.689,1212 3.546,1213 3.344,1214 5.04,1215 3.358,1216 3.553,1217 3.629,1218 3.407,1219 3.25,1220 4.547,1221 3.278,1222 3.429,1223 3.514,1224 3.269,1225 3.144,1226 4.281,1227 3.179,1228 3.057,1229 3.154,1230 2.852,1231 2.868,1232 4.176,1233 2.85,1234 2.874,1235 3.009,1236 2.641,1237 2.618,1238 3.627,1239 2.57,1240 2.79,1241 2.889,1242 2.522,1243 2.557,1244 3.62,1245 2.541,1246 0.181,1247 0.161,1248 0.268,1249 0.166,1250 0.126,1251 4.172,1252 0.162,1253 3.695,1254 0.114,1255 6.167,1256 0.398,1257 3.813,1258 0.119,1259 2.889,1260 3.735,1261 2.612,1262 9.147,1263 2.739,1264 1.695,1265 1.634,1266 1.892,1267 1.996,1268 1.173,1269 1.934,1270 1.646,1271 1.589,1272 1.867,1273 1.892,1274 1.033,1275 1.881,1276 1.578,1277 1.534,1278 1.746,1279 1.865,1280 1,1281 1.838,1282 1.501,1283 1.432,1284 1.71,1285 1.722,1286 0.866,1287 1.733,1288 1.348,1289 1.271,1290 1.595,1291 1.592,1292 0.674,1293 1.588,1294 1.255,1295 1.196,1296 1.507,1297 1.531,1298 0.631,1299 1.529,1300 0.94,1301 0.871,1302 1.417,1303 1.348,1304 0.469,1305 1.308,1306 0.934,1307 0.804,1308 1.224,1309 1.239,1310 0.355,1311 1.304,1312 3.85,1314 5.118,1315 3.045,1316 6.526,1317 5.283,1318 8.009,1319 7.248,1320 9.537,1322 4.001,1328 4.427,1329 6.308,1333 4.023,1340 25.993,1341 73.424,1342 147.32,1343 187.624,1344 207.624,1345 213.624,1346 215.624,1347 39.805,1348 6.36,1349 89.5,1350 89.5,1351 10,1352 11.846,1353 3.17,1354 2.7,1355 42.673,1356 91,1357 74,1358 0.23,1359 164.527,1360 285.95,1361 393.206,1362 4671,1364 15.949,1365 0.725,1366 0.593,1367 15.949,1368 13.041,1369 10.542,1370 0.458,1371 0.318,1372 7.13,1373 9.802,1374 6.93,1375 5.795,1376 10.542,1377 7.315,1378 9.54,1379 0.318,1380 0.183,1381 9.54,1382 5.496,1383 6.483,1384 0.191,1385 0.097,1386 6.483,1387 3.303,1388 5.57,1389 0.13,1390 0.055,1391 5.57,1392 2.35,1393 3.585,1394 0.09,1395 0.032,1396 3.585,1397 1.29,1398 0.376,1399 68.313,1400 0.259,1401 22.465,1402 0.589,1403 106,1404 366.808,1405 123.045,1406 341.935,1407 446.81,1408 316,1409 117,1410 321.328,1411 134.356,1412 316.34,1413 447.01,1414 292,1415 5.699}
{0 CHEMBL347749,1 1.6,2 8.625,3 1.593,4 2.537,5 62.77,6 6.947,7 0.313,8 3.546,9 3.679,10 3.033,11 2.915,12 4.743,13 2.913,14 4.033,15 4.257,16 3.211,17 3.195,18 5.022,19 3.164,20 4.069,21 4.268,22 3.199,23 3.28,24 5.089,25 3.212,26 4.196,27 4.43,28 3.173,29 3.26,30 5.188,31 3.167,32 4.218,33 4.501,34 3.033,35 3.13,36 5.207,37 3.041,38 4.079,39 4.323,40 2.738,41 3.011,42 5.13,43 2.895,44 3.783,45 4.065,46 2.554,47 2.88,48 4.631,49 2.731,50 3.696,51 4.002,52 2.42,53 2.707,54 4.628,55 2.572,56 0.087,57 0.442,58 7.379,59 2.405,60 14.01,61 3.652,62 0.297,63 0.61,64 13.248,65 3.352,66 19.699,67 5.391,68 0.192,69 0.639,70 13.227,71 4.33,72 18.633,73 6.328,74 0.303,75 0.65,76 15.514,77 4.274,78 21.435,79 6.908,80 0.313,81 0.567,82 16.596,83 4.011,84 32.163,85 6.62,86 0.461,87 0.477,88 14.767,89 3.774,90 47.266,91 5.641,92 0.127,93 0.426,94 10.205,95 3.129,96 14.921,97 5.025,98 0.166,99 0.357,100 9.686,101 2.613,102 21.25,103 4.302,104 22,105 19,106 0.306,107 0.635,108 0.84,109 0.852,110 0.864,111 0.864,112 2.849,113 0.953,114 -2.16,115 -2.21,116 -2.18,121 34.4,122 1,123 1,126 1,127 1,128 1,143 2,147 1,153 1,157 1,163 1,172 1,176 3,180 1,182 2,187 2,191 1,192 1,194 1,200 1,205 1,206 1,209 1,213 1,216 1,218 1,219 1,229 1,232 1,235 1,241 1,244 2,253 1,256 2,261 1,269 2,274 1,281 312,282 10.966,283 10.966,284 10.966,285 10.966,286 10.966,287 9.316,288 13.274,289 7.127,290 11.388,291 7.836,292 7.836,293 7.836,294 7.836,295 7.836,296 5.93,297 18.048,298 3.262,299 8.454,300 3.4,301 1.68,302 0.61,303 0.547,304 0.485,305 0.485,306 3.478,311 1,312 1,313 268,314 3.082,317 50.366,325 1.297,326 10.363,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 35.5,338 138,339 4.398,340 3.631,341 6.47,342 3.94,343 3.024,344 4.086,345 1.697,346 10.003,347 2.769,348 3.783,349 3.096,350 4.954,351 2.866,352 1.968,353 2.584,354 1.041,355 5.426,356 1.779,357 3.179,358 2.633,359 4.115,360 2.69,361 1.732,362 2.34,364 3.642,365 1.646,366 3.041,367 2.308,368 3.784,369 2.473,370 1.526,371 2.128,373 3.464,374 1.442,375 2.541,376 1.855,377 3.287,378 2.143,379 1.229,380 1.472,382 2.347,383 1.113,384 2.36,385 1.577,386 3.107,387 1.818,388 0.862,389 1.218,391 1.581,392 0.822,393 1.709,394 1.423,395 2.648,396 1.503,397 0.567,398 0.614,400 0.98,401 0.527,402 1.064,403 0.719,404 2,405 0.951,411 0.734,412 0.464,413 2,414 0.548,415 -0.398,416 -0.432,418 -0.664,419 -0.372,420 0.45,421 -0.218,422 1.725,423 0.082,424 -0.851,425 -1.034,427 -1.531,428 -0.792,429 0.35,430 -0.641,431 1.408,432 -0.079,433 -1,434 -1.185,436 -2.044,437 -0.925,438 0.01,439 -0.973,440 1.078,441 -0.465,442 -1.386,443 -1.718,445 -3.086,446 -1.254,447 -0.313,448 -1.254,449 0.729,450 -0.725,451 -1.677,452 -2.245,454 -3.563,455 -1.554,456 -0.427,457 -1.472,458 0.407,459 -0.81,460 -1.732,461 -2.535,463 -4.633,464 -1.63,465 -0.518,466 -1.722,467 0.241,468 -0.956,469 -1.895,470 -2.585,471 -1.041,472 -5.423,473 -1.772,474 7.367,475 0.46,476 0.209,477 0.013,478 17,479 1.063,480 6.5,481 0.406,482 10.5,483 0.656,484 11.083,485 0.693,486 18.733,487 0.585,488 11.115,489 0.695,490 3.99,491 0.249,492 3.801,493 0.238,494 0.181,496 0.176,501 0.874,502 1.764,503 0.879,504 1.394,505 0.805,506 1.176,507 1.219,508 0.876,509 0.991,510 0.741,511 0.717,512 0.795,513 0.99,514 1.193,515 1.091,516 1.28,517 0.817,518 1.221,519 0.786,520 1.268,521 1.069,522 1.288,523 0.622,524 1.236,525 1.093,526 0.801,527 0.906,528 0.852,529 0.938,530 0.827,531 1.739,532 0.756,533 1.272,534 0.771,535 2.003,536 0.945,537 0.595,538 1.018,539 0.907,540 1.03,541 0.561,542 1.023,543 0.816,544 0.673,545 0.805,546 0.657,547 1.076,548 0.708,549 2,550 0.017,551 1.556,552 1.042,553 0.49,554 0.271,555 0.137,556 0.103,557 0.081,558 0.065,559 1873,560 5657,561 1.895,562 50,563 3,564 5,565 3,566 2,567 1,569 2,572 1.546,573 1.778,574 3.083,575 -0.168,577 1,578 1,579 1,582 51.191,583 1.6,584 3.32,585 4.39,586 4.453,587 4.515,588 4.515,589 2.531,590 3.875,591 3.962,592 3.215,593 385.741,594 6.654,595 3486.54,597 1,599 1,600 160,601 1.329,602 3.929,603 0.125,604 0.006,605 0.082,606 0.058,607 0.031,608 0.019,609 0.014,610 0.011,611 0.01,612 0.011,613 0.366,614 0.67,615 1,616 2.453,617 66.499,618 0.07,619 -0.452,620 0.048,621 -0.227,622 0.075,623 -0.122,624 -0.115,625 0.233,626 0.002,627 0.211,628 -0.084,629 0.142,630 -0.056,631 -0.061,632 -0.154,633 -0.205,634 -0.099,635 -0.206,636 0.147,637 -0.227,638 -0.112,639 -0.31,640 0.069,641 -0.269,642 -0.023,643 0.077,644 0.098,645 0.025,646 0.085,647 0.092,648 -0.205,649 0.061,650 -0.225,651 0.15,652 -0.285,653 -0.029,654 -0.008,655 -0.061,656 0.004,657 -0.029,658 0.027,659 -0.01,660 -0.057,661 0.195,662 0.153,663 0.262,664 -0.027,665 0.257,666 1.076,667 2.512,668 0.313,669 12.688,670 1.006,671 1.144,672 0.934,673 0.873,674 0.621,675 2.833,676 2.996,677 3.178,678 3.332,679 3.258,680 3.091,681 2.996,682 2.89,683 2.708,684 2.485,685 5.066,686 0.591,687 222.3,688 2.833,689 4.263,690 5.043,691 5.855,692 6.671,693 7.501,694 8.332,695 9.171,696 10.012,697 10.857,698 9.4,706 1,707 1,708 1,715 2,720 1,721 2,722 5,726 1,741 32,743 7,745 16,747 32,748 11,749 3,752 1,756 1,757 1,763 1,770 1,771 2,772 4,773 5,777 1,784 1,785 1,790 1,793 16,794 3,795 1,796 5,799 1,802 3,803 1,808 1,809 2,828 1,836 2,857 1,858 1,859 1,864 2,868 16,875 1,876 3,878 1,885 1,891 2,893 6.3,897 1,898 1,901 9,902 6.267,903 3.972,904 1.743,907 1.516,908 1.281,909 0.868,910 5.616,911 6.919,912 3.114,913 3.562,914 3.996,915 4.464,916 4.514,917 4.482,918 4.533,919 4.521,920 4.573,921 4.717,922 0.833,923 18,924 5.815,926 2.16,927 0.026,929 7.854,931 10.959,933 7.768,936 2.354,937 37.667,938 0.002,941 176.567,942 92.043,943 17.046,945 53.806,948 92.043,949 230.372,950 17.046,951 17.222,952 11.29,953 9.047,954 47.817,955 67,956 69.374,957 117.711,959 176.567,960 109.089,961 53.806,964 153.024,965 66.348,966 11,968 46.638,969 17.444,970 45.008,972 176.567,973 70.851,974 92.043,977 176.567,978 13.618,979 48.162,980 34.061,981 67.053,982 176.567,983 70.851,984 92.043,986 0.527,987 0.303,988 0.167,989 0.083,990 6,991 3,992 0.156,993 5,995 1,996 2.894,997 90.646,999 5,1000 64,1005 12.756,1006 7.043,1007 4,1009 67.053,1010 3.731,1015 0.768,1016 3.689,1017 42.806,1018 339.461,1019 21.5,1026 1.37,1027 3.013,1031 32.203,1032 36.613,1034 0.32,1035 0.664,1036 0.878,1037 0.891,1038 0.903,1039 0.903,1040 4.28,1042 4.949,1043 0.98,1044 3.664,1045 4.241,1046 2.189,1047 5.659,1048 3.51,1049 5.463,1050 -0.398,1051 6.441,1053 2.944,1054 3.726,1056 6.475,1057 2.682,1058 6.747,1059 -0.851,1060 8.056,1061 -0.664,1062 5.118,1063 6.326,1064 2.993,1065 9.59,1066 4.791,1067 8.071,1068 -1,1069 9.751,1070 -1.531,1071 5.398,1072 6.843,1074 11.371,1075 4.949,1076 9.431,1077 -1.386,1078 11.499,1079 -2.044,1080 6.936,1081 8.755,1082 3.938,1083 13.951,1084 6.425,1085 10.815,1086 -1.677,1087 13.283,1088 -3.086,1089 7.696,1090 9.772,1092 16.066,1093 7.072,1094 12.219,1095 -1.732,1096 15.092,1097 -3.563,1098 8.972,1099 11.389,1100 4.951,1101 18.471,1102 8.276,1103 3.024,1104 -1.895,1105 16.918,1106 -4.633,1107 9.94,1108 12.634,1110 20.704,1111 9.143,1112 1.968,1113 10.003,1114 18.755,1115 -5.423,1116 11.112,1117 14.128,1118 5.992,1119 23.047,1120 10.236,1121 1.732,1122 5.426,1123 20.601,1124 4.086,1125 12.164,1126 15.469,1128 25.323,1129 11.193,1130 1.526,1131 3.642,1132 22.452,1133 2.584,1134 13.297,1135 16.912,1136 7.044,1137 27.641,1138 12.241,1139 1.229,1140 3.464,1141 24.308,1142 2.34,1143 14.382,1144 18.292,1146 29.933,1147 13.236,1148 0.862,1149 2.347,1150 26.167,1151 2.128,1152 15.498,1153 19.715,1154 8.099,1155 32.243,1156 14.266,1157 0.567,1158 1.581,1159 28.028,1160 1.472,1161 16.596,1162 21.111,1164 34.541,1165 15.275,1166 2067,1167 3660,1168 10.227,1169 19.875,1170 23.211,1171 24.904,1172 23.479,1173 21.872,1174 21.815,1175 28.884,1176 5.476,1177 54.884,1178 20.197,1179 5.262,1180 5.476,1181 6.423,1182 5.021,1183 4.992,1184 6.794,1185 3.394,1186 16.5,1187 4.569,1188 8.425,1189 1.451,1190 1.557,1191 1.467,1192 1.367,1193 1.363,1194 1.805,1195 0.342,1196 3.43,1197 1.262,1198 4.027,1199 4.091,1200 3.979,1201 3.806,1202 6.546,1203 3.842,1204 3.661,1205 3.705,1206 3.553,1207 3.557,1208 4.873,1209 3.549,1210 3.34,1211 3.404,1212 3.203,1213 3.102,1214 4.755,1215 3.11,1216 3.25,1217 3.316,1218 3.153,1219 2.953,1220 4.45,1221 2.988,1222 3.128,1223 3.232,1224 2.899,1225 2.894,1226 4.04,1227 2.881,1228 2.867,1229 2.964,1230 2.599,1231 2.638,1232 3.786,1233 2.615,1234 2.519,1235 2.622,1236 2.278,1237 2.289,1238 3.552,1239 2.262,1240 2.398,1241 2.46,1242 2.162,1243 1.93,1244 3.203,1245 1.996,1246 0.275,1247 0.227,1248 0.404,1249 0.246,1250 0.189,1251 4.398,1252 0.255,1253 3.631,1254 0.106,1255 6.47,1256 0.625,1257 3.94,1258 0.173,1259 3.024,1260 4.086,1261 1.697,1262 10.003,1263 2.769,1264 1.682,1265 1.637,1266 1.872,1267 1.928,1268 1.047,1269 1.898,1270 1.623,1271 1.561,1272 1.794,1273 1.826,1274 0.91,1275 1.827,1276 1.534,1277 1.47,1278 1.721,1279 1.734,1280 0.822,1281 1.743,1282 1.252,1283 1.18,1284 1.582,1285 1.505,1286 0.639,1287 1.529,1288 1.049,1289 0.962,1290 1.343,1291 1.399,1292 0.359,1293 1.377,1294 0.882,1295 0.789,1296 1.251,1297 1.157,1298 0.315,1299 1.199,1300 0.572,1301 0.478,1302 0.966,1303 0.932,1304 0.092,1305 0.927,1306 0.405,1307 0.307,1308 0.761,1309 0.771,1311 0.807,1312 3.497,1314 4.691,1315 2.398,1316 6.075,1317 4.727,1318 7.563,1319 6.783,1320 9.114,1322 3.678,1327 8.512,1328 1.749,1330 5.426,1339 5.731,1340 18.918,1341 51.191,1342 106.226,1343 140.49,1344 142.49,1345 144.49,1346 144.49,1347 22.083,1348 5.403,1349 50.63,1350 50.63,1351 5,1352 11.42,1353 3,1354 2.7,1355 34.776,1356 46,1357 56,1358 0.37,1359 124.095,1360 214.3,1361 294.551,1362 1140,1364 11.803,1365 0.738,1366 0.6,1367 11.803,1368 9.603,1369 7.791,1370 0.487,1371 0.318,1372 4.954,1373 7.282,1374 4.769,1375 4.046,1376 7.791,1377 5.082,1378 5.97,1379 0.314,1380 0.174,1381 5.97,1382 3.311,1383 4.63,1384 0.201,1385 0.095,1386 4.63,1387 2.194,1388 3.592,1389 0.133,1390 0.051,1391 3.592,1392 1.375,1393 2.443,1394 0.098,1395 0.029,1396 2.443,1397 0.72,1398 0.583,1399 50.292,1400 0.313,1401 16.716,1402 0.993,1403 70,1404 245.508,1405 80.035,1406 231.964,1407 302.1,1408 216,1409 77,1410 208.86,1411 88.008,1412 210.555,1413 291.43,1414 193,1415 4.115}
{0 CHEMBL348216,1 1.642,2 7.067,3 1.7,4 2.889,5 56.933,6 7.182,7 0.333,8 3.46,9 3.588,10 2.975,11 2.815,12 4.721,13 2.827,14 3.931,15 4.14,16 3.21,17 3.103,18 4.989,19 3.103,20 4.026,21 4.215,22 3.193,23 3.237,24 5.129,25 3.185,26 4.167,27 4.4,28 3.123,29 3.219,30 5.213,31 3.123,32 4.129,33 4.415,34 2.997,35 3.056,36 5.182,37 2.984,38 3.931,39 4.151,40 2.773,41 2.98,42 5.109,43 2.885,44 3.74,45 4.022,46 2.472,47 2.813,48 4.742,49 2.659,50 3.511,51 3.804,52 2.026,53 2.437,54 4.681,55 2.257,56 0.098,57 0.403,58 6.479,59 2.065,60 16.39,61 3.144,62 0.288,63 0.557,64 11.693,65 2.826,66 18.941,67 4.539,68 0.23,69 0.61,70 12.453,71 4.034,72 23.789,73 5.783,74 0.33,75 0.629,76 14.942,77 4.058,78 25.145,79 6.621,80 0.345,81 0.526,82 15.399,83 3.506,84 35.706,85 5.909,86 0.401,87 0.454,88 12.395,89 3.431,90 45.305,91 4.99,92 0.143,93 0.399,94 9.854,95 2.94,96 20.474,97 4.775,98 0.13,99 0.268,100 8.059,101 2.187,102 26.418,103 3.583,104 27,105 19,106 0.321,107 0.699,108 0.846,109 0.86,110 0.873,111 0.873,112 2.792,113 0.916,114 -1.87,115 -1.93,116 -1.94,121 34.5,122 1,126 1,128 1,129 1,142 1,143 1,147 1,153 1,157 1,163 1,172 1,176 1,180 2,182 2,187 1,191 1,192 1,194 1,200 1,205 1,209 1,213 1,216 2,218 1,229 1,232 2,235 1,244 3,256 1,261 2,274 1,281 245,282 10,283 10,284 10,285 10,286 10,287 8.849,288 14.169,289 6.076,290 10.423,291 7.264,292 7.264,293 7.264,294 7.264,295 7.264,296 5.653,297 19.688,298 2.693,299 7.897,300 3.216,301 1.286,302 0.535,303 0.466,304 0.397,305 0.397,306 3.408,311 1,312 1,313 203,314 3.082,317 45.898,325 1.013,326 11.02,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 33.5,338 106,339 4.399,340 3.632,341 6.471,342 3.941,343 3.026,344 4.086,345 1.697,346 10.005,347 2.77,348 3.722,349 3.253,350 5.06,351 3.259,352 2.338,353 2.624,354 1.467,355 5.999,356 2.147,357 3.168,358 3.037,359 4.861,360 2.732,361 1.828,362 2.297,363 0.451,364 5.225,365 1.649,366 3.041,367 2.142,368 4.105,369 2.472,370 1.523,371 2.128,373 3.586,374 1.441,375 2.698,376 1.497,377 3.19,378 1.824,379 0.87,380 1.23,382 1.703,383 0.827,384 2.362,385 1.308,386 3.061,387 1.632,388 0.734,389 0.996,391 1.38,392 0.653,393 1.63,394 0.67,395 2.357,396 1.173,397 0.208,398 0.3,400 0.294,401 0.199,402 0.928,403 0.387,404 2,405 0.746,406 -0.203,407 -0.227,409 -0.358,410 -0.191,411 0.425,412 -0.179,413 1.832,414 0.089,415 -0.84,416 -1,418 -1.558,419 -0.78,420 0.197,421 -0.674,422 1.518,423 -0.1,424 -1,425 -1.134,427 -2.528,428 -0.897,429 -0.141,430 -0.863,431 1.39,432 -0.4,433 -1.369,434 -1.676,436 -3.06,437 -1.281,438 -0.256,439 -1.078,440 0.83,441 -0.638,442 -1.566,443 -2.123,445 -3.896,446 -1.48,447 -0.313,448 -1.465,449 0.646,450 -0.794,451 -1.702,452 -2.256,453 -0.451,454 -4.859,455 -1.554,456 -0.517,457 -1.722,458 0.439,459 -0.955,460 -1.89,461 -2.538,462 -1.467,463 -5.423,464 -1.706,465 -0.843,466 -1.845,467 0.241,468 -1.081,469 -1.958,470 -2.708,471 -1.697,472 -6.508,473 -1.796,474 6.867,475 0.458,476 0.315,477 0.021,478 16.5,479 1.1,480 6.5,481 0.433,482 10,483 0.667,484 9.927,485 0.662,486 17.433,487 0.601,488 11.286,489 0.752,490 3.805,491 0.254,492 3.38,493 0.225,494 0.267,496 0.262,501 0.885,502 1.785,503 0.846,504 1.385,505 0.877,506 1.15,507 1.229,508 0.893,509 0.941,510 0.729,511 0.593,512 0.746,513 1.079,514 1.135,515 1.103,516 1.228,517 0.771,518 1.187,519 0.766,520 1.306,521 1.098,522 1.316,523 0.748,524 1.283,525 1.059,526 0.659,527 0.857,528 0.684,529 0.919,530 0.698,531 1.491,532 0.828,533 1.245,534 0.854,535 1.808,536 1.01,537 0.578,538 1.046,539 0.937,540 1.085,541 0.659,542 1.081,543 0.793,544 1.011,545 1.051,546 1.171,547 1.199,548 1.161,549 3,551 2,552 1.042,553 0.57,554 0.358,555 0.274,556 0.135,557 0.025,559 1394,560 4642,561 1.852,562 48.3,564 4,565 4,566 2,567 1,569 3,572 1.531,573 1.698,574 2.841,575 -0.134,577 1,579 1,582 47.604,583 1.642,584 3.572,585 4.323,586 4.392,587 4.461,588 4.461,589 2.257,590 3.907,591 3.873,592 2.94,593 308.663,594 6.498,595 2599.07,597 1,600 140.881,601 1.53,602 3.806,603 0.2,605 0.105,606 0.058,607 0.038,608 0.026,609 0.025,610 0.017,611 0.006,613 0.475,614 0.67,615 1,616 2.065,617 59.3,618 0.052,619 -0.494,620 0.048,621 -0.248,622 -0.009,623 -0.132,624 -0.122,625 0.231,626 0.038,627 0.213,628 -0.019,629 0.174,630 -0.107,631 -0.017,632 -0.179,633 -0.164,634 -0.057,635 -0.191,636 0.119,637 -0.288,638 -0.157,639 -0.344,640 -0.047,641 -0.32,642 -0.045,643 0.211,644 0.153,645 0.179,646 0.056,647 0.223,648 -0.159,649 0.065,650 -0.24,651 0.132,652 -0.251,653 -0.056,654 -0.001,655 -0.114,656 -0.025,657 -0.09,658 0.036,659 -0.064,660 -0.034,661 -0.172,662 -0.098,663 -0.242,664 0.018,665 -0.184,666 1.573,667 2.48,668 0.333,669 10,670 1.011,671 1.145,672 0.643,673 0.413,674 0.625,675 2.773,676 2.996,677 3.178,678 3.296,679 3.258,680 3.135,681 3.045,682 2.833,683 2.197,684 1.609,685 4.329,686 0.6,687 208.27,688 2.773,689 4.234,690 5.03,691 5.861,692 6.688,693 7.53,694 8.369,695 9.216,696 10.062,697 10.911,698 10.3,706 1,707 1,708 1,715 2,720 1,721 2,722 5,726 1,741 29,743 7,745 15,747 29,748 10,749 3,752 1,756 1,757 1,763 1,770 1,771 2,772 4,773 4,777 1,784 1,785 1,790 1,793 14,794 3,795 1,796 5,799 1,802 3,803 1,808 1,809 2,828 1,836 1,837 1,857 1,858 1,859 1,864 2,868 15,875 1,876 1,878 1,880 1,885 1,886 1,891 1,893 6.9,897 1,898 1,901 8.833,902 5.683,903 3.639,904 1.528,907 1.399,908 1.265,909 0.861,910 4.344,911 6.688,912 3.068,913 3.504,914 3.996,915 4.429,916 4.503,917 4.547,918 4.655,919 4.658,920 4.393,921 3.841,922 0.8,923 18,924 5.427,925 -0.001,926 2.056,927 0.026,929 8,931 10.059,933 7.24,934 -0.001,936 2.5,937 37.5,938 0.002,941 153.024,942 91.207,943 17.046,945 53.806,948 91.207,949 206.83,950 17.046,951 17.222,952 4.164,953 9.047,954 47.817,955 67,956 87.436,957 82.398,959 153.024,960 108.253,961 53.806,964 117.711,965 78.119,966 11,968 39.511,969 40.765,970 27.977,972 153.024,973 70.851,974 91.207,977 153.024,978 6.491,979 48.162,980 17.031,981 90.374,982 153.024,983 70.851,984 91.207,986 0.551,987 0.324,988 0.16,989 0.082,990 7,991 4,992 0.138,993 4,995 1,996 2.672,997 85.882,999 5,1000 58.603,1005 11.761,1006 5.54,1007 3.082,1009 67.053,1010 3.654,1015 0.724,1016 3.594,1017 42.806,1018 315.083,1019 20.5,1026 1.337,1027 2.984,1031 29.32,1032 33.197,1034 0.338,1035 0.735,1036 0.89,1037 0.904,1038 0.918,1039 0.918,1040 4.266,1041 -0.203,1042 4.99,1043 0.294,1044 3.664,1045 4.182,1046 2.44,1047 5.74,1048 3.498,1049 5.459,1050 -0.84,1051 6.524,1052 -0.358,1053 3.219,1054 3.861,1056 6.629,1057 2.966,1058 6.741,1059 -1,1060 8.164,1061 -1.558,1062 5.187,1063 6.275,1064 3.294,1065 9.669,1066 4.842,1067 8.062,1068 -1.369,1069 9.867,1070 -2.528,1071 5.602,1072 6.915,1074 11.431,1075 5.164,1076 9.417,1077 -1.566,1078 11.611,1079 -3.06,1080 7.031,1081 8.722,1082 4.231,1083 13.99,1084 6.504,1085 10.797,1086 -1.702,1087 13.385,1088 -3.896,1089 7.832,1090 9.806,1092 16.089,1093 7.217,1094 12.198,1095 -1.89,1096 15.18,1097 -4.859,1098 9.056,1099 11.373,1100 5.202,1101 18.488,1102 8.351,1103 3.026,1104 -1.958,1105 16.992,1106 -5.423,1107 10.03,1108 12.649,1110 20.714,1111 9.237,1112 2.338,1113 10.005,1114 18.817,1115 -6.508,1116 11.176,1117 14.121,1118 6.194,1119 23.054,1120 10.294,1121 1.828,1122 5.999,1123 20.651,1124 4.086,1125 12.224,1126 15.476,1128 25.328,1129 11.254,1130 1.523,1131 5.225,1132 22.493,1133 2.624,1134 13.342,1135 16.909,1136 7.202,1137 27.646,1138 12.283,1139 0.87,1140 3.586,1141 24.341,1142 2.297,1143 14.422,1144 18.296,1146 29.937,1147 13.275,1148 0.734,1149 1.703,1150 26.193,1151 2.128,1152 15.531,1153 19.714,1154 8.221,1155 32.246,1156 14.296,1157 0.208,1158 1.38,1159 28.048,1160 1.23,1161 16.625,1162 21.113,1164 34.545,1165 15.302,1166 1578,1167 2934,1168 9.246,1169 18.114,1170 22.907,1171 23.518,1172 23.094,1173 21.093,1174 21.055,1175 27.323,1176 7.231,1177 56.382,1178 19.371,1179 5.242,1180 5.477,1181 6.23,1182 5.023,1183 4.984,1184 6.794,1185 3.394,1186 16.513,1187 4.566,1188 8.985,1189 1.527,1190 1.568,1191 1.54,1192 1.406,1193 1.404,1194 1.822,1195 0.482,1196 3.759,1197 1.291,1198 4.027,1199 4.091,1200 3.98,1201 3.806,1202 6.546,1203 3.843,1204 3.629,1205 3.668,1206 3.527,1207 3.492,1208 5.437,1209 3.493,1210 3.251,1211 3.317,1212 3.169,1213 2.953,1214 4.856,1215 2.989,1216 3.206,1217 3.297,1218 3.033,1219 2.946,1220 4.442,1221 2.954,1222 2.971,1223 3.051,1224 2.763,1225 2.812,1226 4.04,1227 2.786,1228 2.872,1229 2.967,1230 2.598,1231 2.635,1232 3.817,1233 2.613,1234 2.414,1235 2.469,1236 2.226,1237 1.949,1238 3.637,1239 2.015,1240 2.185,1241 2.298,1242 1.916,1243 1.819,1244 3.081,1245 1.817,1246 0.293,1247 0.242,1248 0.431,1249 0.263,1250 0.202,1251 4.399,1252 0.272,1253 3.632,1254 0.113,1255 6.471,1256 0.667,1257 3.941,1258 0.185,1259 3.026,1260 4.086,1261 1.697,1262 10.005,1263 2.77,1264 1.671,1265 1.622,1266 1.845,1267 1.928,1268 0.971,1269 1.896,1270 1.596,1271 1.535,1272 1.79,1273 1.821,1274 0.881,1275 1.816,1276 1.503,1277 1.441,1278 1.69,1279 1.695,1280 0.81,1281 1.705,1282 1.056,1283 0.978,1284 1.344,1285 1.418,1286 0.359,1287 1.384,1288 1.005,1289 0.924,1290 1.311,1291 1.197,1292 0.314,1293 1.242,1294 0.883,1295 0.79,1296 1.246,1297 1.158,1298 0.038,1299 1.197,1300 0.458,1301 0.372,1302 0.776,1303 0.901,1305 0.874,1306 0.13,1307 0.003,1308 0.662,1309 0.565,1311 0.589,1312 3.434,1314 4.673,1315 2.398,1316 6.098,1317 4.727,1318 7.61,1319 6.783,1320 9.174,1322 3.64,1327 8.48,1328 0.327,1330 5.348,1332 -0.239,1337 5.182,1339 2.468,1340 17.391,1341 47.604,1342 103.597,1343 125.372,1344 127.372,1345 129.372,1346 129.372,1347 21.412,1348 5.288,1349 50.63,1350 50.63,1351 5,1352 11.471,1353 3,1354 2.7,1355 31.112,1356 37,1357 39,1358 0.425,1359 114.503,1360 197,1361 271.146,1362 908,1364 11.259,1365 0.751,1366 0.59,1367 11.259,1368 8.844,1369 7.185,1370 0.479,1371 0.305,1372 4.455,1373 6.679,1374 4.293,1375 3.64,1376 7.185,1377 4.581,1378 5.858,1379 0.308,1380 0.169,1381 5.858,1382 3.202,1383 4.678,1384 0.203,1385 0.092,1386 4.678,1387 2.112,1388 3.284,1389 0.126,1390 0.046,1391 3.284,1392 1.208,1393 2.291,1394 0.092,1395 0.026,1396 2.291,1397 0.662,1398 0.644,1399 46.564,1400 0.329,1401 15.317,1402 1.213,1403 68,1404 239.508,1405 78.699,1406 227.58,1407 296.64,1408 210,1409 76,1410 210.769,1411 87.34,1412 211.291,1413 294.05,1414 194,1415 4.924}
{0 CHEMBL348318,1 1.3,2 7.059,3 2.563,4 6.568,5 69.974,6 6.371,7 0.316,8 3.656,9 3.785,10 3.11,11 3.241,12 4.56,13 3.178,14 4.276,15 4.475,16 3.474,17 3.699,18 5.076,19 3.606,20 4.595,21 4.827,22 3.512,23 3.871,24 5.405,25 3.727,26 4.697,27 4.972,28 3.326,29 3.804,30 5.495,31 3.615,32 4.558,33 4.859,34 3.109,35 3.562,36 5.365,37 3.373,38 4.17,39 4.433,40 2.897,41 3.296,42 5.05,43 3.133,44 3.957,45 4.225,46 2.599,47 3.125,48 4.72,49 2.921,50 3.865,51 4.203,52 2.02,53 2.727,54 4.564,55 2.464,56 0.033,57 0.499,58 8.561,59 3.742,60 4.495,61 5.238,62 0.11,63 0.88,64 16.29,65 6.442,66 9.274,67 9.266,68 0.143,69 1.114,70 22.412,71 9.137,72 18.086,73 12.916,74 0.19,75 1.136,76 24.918,77 9.856,78 29.736,79 13.941,80 0.21,81 0.948,82 21.898,83 8.065,84 31.969,85 11.522,86 0.204,87 0.684,88 14.924,89 5.376,90 24.684,91 7.732,92 0.058,93 0.568,94 11.593,95 4.765,96 11.523,97 6.899,98 0.113,99 0.464,100 10.835,101 3.691,102 17.08,103 5.543,104 5,105 27,106 0.241,107 0.554,108 0.769,109 0.811,110 0.821,111 0.821,112 2.91,113 1.036,114 -4.04,115 -3.99,116 -3.78,121 41.7,123 3,124 2,126 1,127 2,144 4,145 2,159 1,176 11,180 4,187 14,192 5,200 11,206 5,214 9,219 2,227 6,231 1,232 2,239 4,244 2,256 2,281 290,282 11.569,283 11.569,284 11.569,285 11.569,286 11.569,287 10.75,288 13.44,289 6.772,290 11.66,291 9.366,292 9.366,293 9.366,294 9.366,295 9.366,296 8.092,297 13.665,298 3.216,299 9.481,300 3.87,301 2.183,302 1.021,303 0.799,304 0.743,305 0.743,306 3.586,311 1,312 1,313 262,314 1.732,317 30.032,318 86.237,321 59.572,325 1.017,326 12.108,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 35.5,338 120,339 4.472,340 3.807,341 6.795,342 4.238,343 3.225,344 4.011,345 1.277,346 11.139,347 3.264,348 3.758,349 2.809,350 5.991,351 3.616,352 2.632,353 2.922,354 0.8,355 8.431,356 2.595,357 3.384,358 2.676,359 5.136,360 3.191,361 2.244,362 2.484,364 6.144,365 2.123,366 3.106,367 2.406,368 4.941,369 2.849,370 1.83,371 2.176,373 5.373,374 1.851,375 2.893,376 1.646,377 4.428,378 2.523,379 1.527,380 2.036,382 4.078,383 1.519,384 2.561,385 1.316,386 3.609,387 2.21,388 1.21,389 1.536,391 2.861,392 1.209,393 2.037,394 1.178,395 3.414,396 1.984,397 1,398 1,400 2.275,401 0.983,402 2,403 1.077,404 3.374,405 1.734,406 0.704,407 0.903,409 1.713,410 0.721,411 1.114,412 0.33,413 2.653,414 0.877,415 -0.116,416 -0.123,418 -0.262,419 -0.114,420 0.752,421 -0.054,422 2.21,423 0.513,424 -0.52,425 -0.661,427 -1.199,428 -0.533,429 0.602,430 -0.726,431 2,432 0.178,433 -0.825,434 -1,436 -2.026,437 -0.828,438 0.193,439 -0.784,440 2,441 -0.049,442 -1,443 -1.104,445 -2.934,446 -0.946,448 -0.907,449 1.794,450 -0.118,451 -1.114,452 -1.302,454 -3,455 -1.093,456 -0.196,457 -1.005,458 1.529,459 -0.359,460 -1.332,461 -1.554,463 -3.351,464 -1.301,465 -0.456,466 -1.377,467 1.262,468 -0.614,469 -1.629,470 -1.955,472 -4.758,473 -1.679,474 8.233,475 0.484,476 0.418,477 0.025,478 18,479 1.059,480 7.5,481 0.441,482 10.5,483 0.618,484 14.743,485 0.867,486 18.767,487 0.521,488 10.003,489 0.588,490 3.18,491 0.187,492 5.075,493 0.299,494 0.101,496 0.352,501 0.613,502 1.29,503 0.913,504 1.133,505 0.492,506 1.06,507 0.913,508 0.975,509 1.005,510 0.956,511 0.543,512 0.967,513 0.901,514 1.099,515 1.071,516 1.146,517 0.853,518 1.124,519 1.062,520 1.008,521 1.012,522 1.053,523 1.194,524 1.037,525 1.373,526 0.833,527 0.902,528 0.827,529 1.566,530 0.831,531 1.462,532 0.943,533 1.115,534 0.926,535 1.659,536 0.986,537 0.464,538 1.295,539 1.075,540 1.28,541 0.427,542 1.24,543 1.251,544 0.859,545 0.973,546 0.803,547 1.187,548 0.855,549 3,551 2.222,552 1.514,553 0.929,554 0.462,555 0.176,556 0.147,557 0.059,558 0.025,559 2326,560 4496,561 2.127,562 52.8,563 3,564 11,568 1,569 4,572 1.571,573 2,574 2.847,575 -0.865,577 1,578 1,579 1,582 46.803,583 1.3,584 2.986,585 4.149,586 4.371,587 4.427,588 4.427,589 2.257,590 3.617,591 4.06,592 2.908,593 395.517,594 6.87,595 3448.78,596 1,597 1,599 1,600 186.117,601 1.379,602 4.023,603 0.158,605 0.082,606 0.058,607 0.046,608 0.029,609 0.014,610 0.016,611 0.015,612 0.012,613 0.431,614 1,615 1,616 0.604,617 69.011,618 0.031,619 -0.098,620 0.07,621 -0.005,622 0.018,623 0.027,624 -0.091,625 0.165,626 -0.016,627 0.076,628 -0.002,629 0.049,630 -0.032,631 -0.082,632 -0.104,633 -0.132,634 0.01,635 -0.122,636 -0.023,637 -0.089,638 -0.045,639 -0.084,640 -0.01,641 -0.069,642 -0.049,643 0.05,644 0.088,645 0.096,646 -0.067,647 0.101,648 -0.019,649 0.027,650 -0.104,651 0.013,652 -0.146,653 -0.049,654 0.047,655 -0.336,656 -0.149,657 -0.291,658 0.032,659 -0.247,660 -0.102,661 0.014,662 0.001,663 0.062,664 -0.098,665 0.04,666 1.268,667 5.364,668 0.882,669 9.702,670 0.983,671 1.123,672 2.814,673 7.919,674 0.648,675 2.996,676 3.332,677 3.638,678 3.912,679 4.127,680 4.143,681 4.22,682 4.263,683 4.159,684 3.989,685 4.208,686 0.597,687 229.35,688 2.996,689 4.533,690 5.398,691 6.286,692 7.172,693 8.068,694 8.963,695 9.862,696 10.76,697 11.662,698 2.8,701 1,715 4,720 2,722 6,727 1,741 36,743 7,744 1,745 19,747 38,748 15,749 6,750 2,751 4,752 1,756 3,757 4,767 3,768 2,770 3,772 7,773 8,774 2,777 1,782 1,786 1,790 1,793 19,794 2,796 2,802 1,808 0.667,809 1,828 1,829 2,832 1,855 1,859 2,864 1,868 17,876 5,880 2,881 1,893 2.8,896 1,901 8.5,902 6.617,903 3.694,904 2.386,907 1.304,908 1.203,909 0.973,910 2.755,911 7.74,912 3.178,913 3.676,914 4.186,915 4.662,916 5.093,917 5.157,918 5.42,919 5.588,920 5.545,921 5.471,922 0.8,923 26,924 6.365,926 2.765,927 0.026,929 7.51,931 12.759,933 11.251,936 2.01,937 34.167,938 0.006,941 223.651,942 69.621,943 3.124,945 25.145,948 69.621,949 248.796,950 3.124,951 8.396,952 11.815,953 37.905,954 30.278,955 9.495,957 223.651,959 223.651,960 72.745,961 25.145,964 176.567,965 72.229,968 14.939,969 57.806,972 223.651,973 28.269,974 69.621,977 223.651,978 23.32,979 49.426,981 25.145,982 223.651,983 28.269,984 69.621,986 0.586,987 0.35,988 0.191,989 0.107,990 15,991 6,992 0.026,993 1,994 1,995 1.133,996 2.959,997 123.626,998 0.133,999 15,1000 65.487,1005 10.977,1006 4.267,1007 1.91,1009 28.269,1010 8.131,1015 2.248,1018 321.541,1019 23,1024 12.364,1028 0.398,1031 35.382,1032 40.445,1034 0.251,1035 0.578,1036 0.803,1037 0.846,1038 0.856,1039 0.856,1040 4.437,1041 0.704,1042 5.389,1043 2.275,1044 4.007,1045 4.357,1046 1.653,1047 6.225,1048 3.994,1049 5.596,1050 -0.116,1051 6.963,1052 1.713,1053 3.611,1054 4.06,1055 0.325,1056 7.177,1057 3.599,1058 6.883,1059 -0.52,1060 8.641,1061 -0.262,1062 5.617,1063 6.374,1064 1.915,1065 10.311,1066 5.603,1067 8.203,1068 -0.825,1069 10.38,1070 -1.199,1071 6.066,1072 6.93,1073 0.268,1074 12.129,1075 6.075,1076 9.563,1077 -1,1078 12.16,1079 -2.026,1080 7.548,1081 8.749,1082 2.299,1083 14.784,1084 7.555,1085 10.95,1086 -1.114,1087 13.969,1088 -2.934,1089 8.389,1090 9.716,1091 0.188,1092 16.948,1093 8.425,1094 12.359,1095 -1.332,1096 15.798,1097 -3,1098 9.665,1099 11.323,1100 2.732,1101 19.443,1102 9.706,1103 3.225,1104 -1.629,1105 17.644,1106 -3.351,1107 10.686,1108 12.494,1109 0.125,1110 21.748,1111 10.754,1112 2.632,1113 11.139,1114 19.501,1115 -4.758,1116 11.885,1117 14,1118 3.189,1119 24.186,1120 11.962,1121 2.244,1122 8.431,1123 21.369,1124 4.011,1125 12.985,1126 15.273,1127 0.082,1128 26.551,1129 13.086,1130 1.83,1131 6.144,1132 23.245,1133 2.922,1134 14.158,1135 16.726,1136 3.66,1137 28.969,1138 14.27,1139 1.527,1140 5.373,1141 25.127,1142 2.484,1143 15.295,1144 18.053,1145 0.054,1146 31.358,1147 15.426,1148 1.21,1149 4.078,1150 27.014,1151 2.176,1152 16.461,1153 19.478,1154 4.139,1155 33.77,1156 16.605,1157 1,1158 2.861,1159 28.906,1160 2.036,1161 17.613,1162 20.833,1163 0.035,1164 36.17,1165 17.774,1166 2276,1167 3217,1168 12.83,1169 23.313,1170 29.057,1171 29.791,1172 29.903,1173 28.772,1174 28.744,1175 34.136,1176 4.155,1177 84.031,1178 28.529,1179 5.472,1180 5.807,1181 6.476,1182 5.273,1183 5.225,1184 7.011,1185 2.555,1186 18.484,1187 5.264,1188 6.667,1189 1.529,1190 1.568,1191 1.574,1192 1.514,1193 1.513,1194 1.797,1195 0.219,1196 4.423,1197 1.502,1198 4.053,1199 4.08,1200 3.991,1201 3.986,1202 7.426,1203 3.983,1204 3.816,1205 3.875,1206 3.698,1207 3.689,1208 4.716,1209 3.683,1210 3.45,1211 3.507,1212 3.336,1213 3.299,1214 4.358,1215 3.299,1216 3.152,1217 3.239,1218 2.967,1219 2.948,1220 3.947,1221 2.936,1222 3.111,1223 3.206,1224 2.866,1225 2.941,1226 3.693,1227 2.91,1228 2.987,1229 3.028,1230 2.855,1231 2.845,1232 3.613,1233 2.841,1234 2.686,1235 2.795,1236 2.426,1237 2.496,1238 3.474,1239 2.466,1240 2.572,1241 2.629,1242 2.407,1243 2.305,1244 3.164,1245 2.321,1246 0.235,1247 0.2,1248 0.358,1249 0.223,1250 0.17,1251 4.472,1252 0.211,1253 3.807,1254 0.067,1255 6.795,1256 0.586,1257 4.238,1258 0.172,1259 3.225,1260 4.011,1261 1.277,1262 11.139,1263 3.264,1264 1.892,1265 1.869,1266 2.075,1267 2.038,1268 1.48,1269 2.054,1270 1.875,1271 1.824,1272 1.999,1273 1.961,1274 1.152,1275 1.975,1276 1.487,1277 1.431,1278 1.715,1279 1.692,1280 0.98,1281 1.701,1282 1.153,1283 1.064,1284 1.514,1285 1.4,1286 0.825,1287 1.442,1288 1.151,1289 1.057,1290 1.513,1291 1.376,1292 0.664,1293 1.429,1294 1.033,1295 1,1296 1.229,1297 1.215,1298 0.397,1299 1.217,1300 0.804,1301 0.729,1302 1.135,1303 1.012,1304 0.259,1305 1.061,1306 0.62,1307 0.51,1308 1.023,1309 0.909,1310 0.14,1311 0.955,1312 3.664,1314 4.99,1315 2.398,1316 6.524,1317 4.844,1318 8.144,1319 7.034,1320 9.809,1322 2.168,1328 5.626,1332 0.868,1333 2.364,1340 21.477,1341 46.803,1342 107.514,1343 149.362,1344 157.362,1345 159.362,1346 159.362,1347 25.001,1348 6.436,1349 20.31,1350 20.31,1351 17,1352 12.183,1353 3,1354 2.322,1355 23.692,1356 42,1357 45,1358 0.288,1359 131.556,1360 229.31,1361 312.757,1362 4359,1364 11.828,1365 0.696,1366 0.609,1367 11.828,1368 10.355,1369 8.254,1370 0.434,1371 0.345,1372 6.511,1373 8.076,1374 6.321,1375 5.216,1376 8.254,1377 6.561,1378 7.487,1379 0.277,1380 0.203,1381 7.487,1382 5.473,1383 6.559,1384 0.177,1385 0.119,1386 6.559,1387 4.392,1388 5.439,1389 0.111,1390 0.067,1391 5.439,1392 3.28,1393 4.453,1394 0.073,1395 0.04,1396 4.453,1397 2.469,1398 0.429,1399 50.798,1400 0.279,1401 16.824,1402 0.855,1403 92,1404 199.381,1405 95.852,1406 195.993,1407 268.14,1408 184,1409 110,1410 192.397,1411 114.49,1412 198.796,1413 291.35,1414 187,1415 5.481}
{0 CHEMBL348607,1 1.612,2 10.542,3 4.787,4 22.917,5 98.742,6 8.529,7 0.385,8 3.915,9 4.037,10 3.602,11 3.456,12 4.942,13 3.417,14 4.483,15 4.679,16 4.028,17 3.866,18 5.499,19 3.797,20 4.665,21 4.872,22 4.292,23 4.002,24 5.615,25 3.917,26 4.698,27 4.888,28 4.347,29 4.039,30 5.713,31 3.936,32 4.741,33 4.953,34 4.303,35 3.978,36 5.777,37 3.842,38 4.645,39 4.884,40 3.874,41 3.77,42 5.618,43 3.615,44 4.388,45 4.603,46 3.702,47 3.563,48 5.417,49 3.437,50 4.245,51 4.452,52 3.49,53 3.501,54 5.244,55 3.346,56 0.011,57 0.661,58 8.546,59 4.307,60 5.815,61 5.69,62 0.336,63 1.064,64 20.291,65 7.367,66 30.307,67 10.044,68 0.261,69 1.216,70 30.059,71 9.508,72 24.556,73 12.304,74 0.262,75 1.242,76 33.72,77 9.722,78 29.185,79 12.304,80 0.416,81 1.2,82 45.525,83 10.557,84 44.131,85 13.097,86 0.336,87 1.008,88 49.933,89 10.097,90 41.195,91 12.407,92 0.427,93 0.794,94 28.854,95 7.35,96 37.074,97 8.893,98 0.15,99 0.742,100 33.168,101 7.007,102 22.231,103 8.544,104 35,105 37,106 0.279,107 0.622,108 0.827,109 0.864,110 0.864,111 0.864,112 3.229,113 1.049,114 -3.87,115 -3.83,116 -3.63,119 1,121 39.1,122 1,123 4,126 2,127 1,144 2,145 2,146 2,154 2,159 1,161 1,176 6,179 1,180 5,183 2,185 1,187 5,191 1,192 8,197 1,200 5,206 6,211 2,214 4,218 1,219 7,224 3,227 3,232 6,237 1,239 2,243 2,244 1,247 1,249 1,251 4,256 1,261 1,264 5,268 1,269 1,272 1,277 5,281 780,282 16.276,283 16.276,284 16.276,285 16.276,286 16.276,287 14.461,288 19.042,289 9.584,290 16.725,291 12.699,292 12.699,293 12.699,294 12.699,295 12.699,296 10.05,297 21.849,298 4.388,299 13.446,300 3.911,301 1.928,302 0.745,303 0.527,304 0.527,305 0.527,306 3.905,311 1,312 1,313 534,314 3.606,317 89.44,318 52.746,320 72.84,321 78.54,324 110.21,325 1.625,326 19.638,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 51.25,338 253,339 4.855,340 3.703,341 7.221,342 4.409,343 3.446,344 4.831,345 2.186,346 12.74,347 3.314,348 4.187,349 3.576,350 6.407,351 3.767,352 2.842,353 3.709,354 0.986,355 9.683,356 2.613,357 3.785,358 3.153,359 5.824,360 3.382,361 2.434,362 3.144,363 0.366,364 7.805,365 2.278,366 3.582,367 2.666,368 5.565,369 3.165,370 2.231,371 2.869,373 6.91,374 2.052,375 3.39,376 2.309,377 5.001,378 2.972,379 2,380 2.641,382 5.759,383 1.934,384 2.951,385 1.976,386 4.78,387 2.576,388 1.597,389 2.064,391 4.585,392 1.559,393 2.68,394 1.782,395 4.263,396 2.435,397 1.473,398 1.731,400 3.556,401 1.41,402 2.62,403 1.676,404 3.581,405 2.27,406 1.346,407 1.612,409 2.996,410 1.182,411 1.922,412 1.099,413 3.548,414 1.741,415 0.775,416 0.856,418 1.853,419 0.738,420 1.777,421 1.048,422 3.136,423 1.667,424 0.716,425 0.742,427 1.283,428 0.669,429 1.604,430 0.89,431 2.815,432 1.289,433 0.378,434 0.422,436 0.684,437 0.327,438 1.319,439 0.68,440 2.719,441 1.037,442 0.173,443 0.191,445 0.322,446 0.128,447 0.991,448 0.39,449 2.589,450 0.615,451 -0.299,452 -0.337,454 -0.578,455 -0.232,456 0.772,457 -0.033,458 2.18,459 0.569,460 -0.411,461 -0.483,463 -0.899,464 -0.401,465 0.603,466 -0.302,467 2.133,468 0.179,469 -0.781,470 -0.985,472 -1.908,473 -0.688,474 12.2,475 0.508,476 0.593,477 0.025,478 27,479 1.125,480 11.5,481 0.479,482 15.5,483 0.646,484 24.682,485 1.028,486 26.2,487 0.57,488 17.216,489 0.717,490 4.908,491 0.204,492 6.671,493 0.278,494 0.26,496 0.361,501 0.77,502 1.44,503 0.513,504 0.981,505 0.586,506 0.98,507 0.65,508 0.94,509 0.538,510 0.704,511 0.449,512 0.767,513 0.907,514 1.003,515 0.761,516 0.843,517 0.745,518 0.815,519 1.251,520 1.139,521 1.154,522 1.03,523 1.11,524 1.008,525 1.24,526 1.058,527 1.479,528 1.218,529 1.342,530 1.117,531 1.386,532 1.037,533 1.72,534 1.293,535 1.352,536 1.08,537 1.669,538 0.796,539 1.189,540 0.915,541 1.745,542 0.945,543 1.168,544 1.292,545 1.984,546 1.556,547 1.461,548 1.337,549 4,550 0.085,551 2.889,552 2.639,553 1.859,554 0.854,555 0.471,556 0.353,557 0.225,558 0.135,559 5793,560 14644,561 2.015,562 47.8,563 7,564 10,567 1,568 2,569 2,572 1.67,573 1.846,574 3.298,575 -0.301,582 74.163,583 1.612,584 3.595,585 4.779,586 4.996,587 4.996,588 4.996,589 2.887,590 4.335,591 4.545,592 3.445,593 950.81,594 7.855,595 10886.4,597 1,600 254.084,601 1.528,602 4.493,603 0.154,604 0.008,605 0.078,606 0.066,607 0.049,608 0.028,609 0.02,610 0.017,611 0.013,612 0.01,613 0.441,614 0.5,615 1,616 1.916,617 113.34,618 -0.024,619 -0.216,620 0.007,621 -0.066,622 -0.017,623 -0.016,624 0.249,625 0.182,626 0.068,627 0.182,628 0.217,629 0.177,630 0.054,631 0.045,632 0.115,633 0.123,634 0.022,635 0.16,636 -0.135,637 -0.072,638 0.022,639 0.006,640 -0.075,641 -0.035,642 -0.028,643 -0.065,644 -0.024,645 -0.118,646 -0.05,647 -0.128,648 -0.107,649 -0.151,650 -0.138,651 -0.156,652 -0.07,653 -0.067,654 -0.084,655 0.129,656 -0.059,657 0.095,658 -0.164,659 0.008,660 -0.147,661 -0.308,662 -0.268,663 -0.367,664 -0.109,665 -0.307,666 2.077,667 4.934,668 0.5,669 22.417,670 1.001,671 1.128,672 2.639,673 6.966,674 0.672,675 3.296,676 3.638,677 3.989,678 4.331,679 4.554,680 4.718,681 4.883,682 4.963,683 4.956,684 4.92,685 5.842,686 0.626,687 392.33,688 3.296,689 4.844,690 5.727,691 6.64,692 7.554,693 8.484,694 9.413,695 10.351,696 11.289,697 12.232,698 6.5,705 1,706 1,707 1,714 2,715 2,720 4,721 1,722 10,725 1,737 1,740 1,741 46,743 12,744 1,745 26,746 1,747 48,748 18,749 8,750 4,751 2,752 1,756 3,757 6,763 1,767 2,770 4,772 10,773 8,777 2,782 1,785 1,786 2,793 22,794 4,795 1,796 6,797 1,802 3,808 0.333,809 2,824 1,828 2,829 1,831 1,832 1,835 1,859 1,863 1,864 3,868 24,876 5,877 1,878 1,892 1,893 4.3,896 1,898 1,901 13,902 9.293,903 5.472,904 3.051,907 2.377,908 1.328,909 0.976,910 5.307,911 9.633,912 3.526,913 4.163,914 4.821,915 5.5,916 6.062,917 6.52,918 6.97,919 7.342,920 7.504,921 7.611,922 1,923 40,924 8.888,926 3.696,927 0.026,929 7.649,931 17.247,933 14.083,936 2.149,937 51.583,940 1,941 247.193,942 85.291,943 82.649,945 36.145,948 131.246,949 283.338,950 36.695,951 25.618,952 30.255,953 18.952,954 27.902,955 43.742,956 11.663,957 247.193,958 45.954,959 247.193,960 121.987,961 36.145,963 45.954,964 223.651,965 59.687,968 57.764,969 64.222,971 45.954,972 247.193,973 72.84,974 131.246,977 247.193,978 40.721,979 46.47,980 63.965,981 52.93,982 247.193,983 72.84,984 131.246,986 0.574,987 0.354,988 0.201,989 0.109,990 18,991 9,992 0.104,993 5,994 2,995 1.333,996 3.506,997 198.206,998 0.333,999 12,1000 110.039,1005 17.497,1006 7.28,1007 3.15,1008 2.233,1009 70.941,1010 3.837,1015 3.848,1016 2.176,1017 18.011,1018 451.279,1019 33,1024 11.934,1027 4.412,1028 0.724,1031 46.025,1032 51.907,1034 0.292,1035 0.651,1036 0.865,1037 0.905,1038 0.905,1039 0.905,1040 4.783,1041 1.346,1042 5.733,1043 3.556,1044 4.317,1045 4.848,1046 2.441,1047 6.632,1048 4.203,1049 6.016,1050 0.775,1051 7.347,1052 2.996,1053 4.007,1054 4.89,1055 1.784,1056 7.727,1057 3.815,1058 7.363,1059 0.716,1060 9.067,1061 1.853,1062 5.979,1063 7.164,1064 3.546,1065 10.916,1066 5.767,1067 8.755,1068 0.378,1069 10.851,1070 1.283,1071 6.538,1072 8.08,1073 3.59,1074 12.881,1075 6.256,1076 10.186,1077 0.173,1078 12.676,1079 0.684,1080 7.993,1081 9.874,1082 4.918,1083 15.616,1084 7.694,1085 11.644,1086 -0.299,1087 14.529,1088 0.322,1089 8.938,1090 11.171,1091 5.289,1092 17.93,1093 8.585,1094 13.124,1095 -0.411,1096 16.405,1097 -0.578,1098 10.222,1099 12.808,1100 6.39,1101 20.526,1102 9.846,1103 3.446,1104 -0.781,1105 18.297,1106 -0.899,1107 11.332,1108 14.267,1109 6.93,1110 22.978,1111 10.914,1112 2.842,1113 12.74,1114 20.203,1115 -1.908,1116 12.566,1117 15.855,1118 7.902,1119 25.532,1120 12.12,1121 2.434,1122 9.683,1123 22.119,1124 4.831,1125 13.744,1126 17.381,1127 8.539,1128 28.038,1129 13.261,1130 2.231,1131 7.805,1132 24.045,1133 3.709,1134 14.968,1135 18.955,1136 9.436,1137 30.582,1138 14.454,1139 2,1140 6.91,1141 25.979,1142 3.144,1143 16.175,1144 20.508,1145 10.13,1146 33.109,1147 15.626,1148 1.597,1149 5.759,1150 27.919,1151 2.869,1152 17.399,1153 22.08,1154 10.981,1155 35.651,1156 16.817,1157 1.473,1158 4.585,1159 29.864,1160 2.641,1161 18.62,1162 23.644,1163 11.71,1164 38.187,1165 18.002,1166 5847,1167 9453,1168 16.819,1169 30.892,1170 38.881,1171 40.439,1172 41.729,1173 38.895,1174 38.825,1175 49.624,1176 7.077,1177 116.354,1178 36.405,1179 5.757,1180 5.703,1181 7.131,1182 5.489,1183 5.446,1184 7.831,1185 3.889,1186 20.428,1187 5.314,1188 13.757,1189 1.495,1190 1.555,1191 1.605,1192 1.496,1193 1.493,1194 1.909,1195 0.272,1196 4.475,1197 1.4,1198 4.187,1199 4.214,1200 6.881,1201 4.114,1202 7.435,1203 4.118,1204 3.736,1205 3.794,1206 4.119,1207 3.595,1208 4.96,1209 3.594,1210 3.672,1211 3.72,1212 3.629,1213 3.542,1214 4.643,1215 3.528,1216 3.442,1217 3.496,1218 3.531,1219 3.189,1220 4.387,1221 3.213,1222 3.305,1223 3.389,1224 3.326,1225 3.081,1226 4.208,1227 3.085,1228 3.235,1229 3.333,1230 3.128,1231 3.029,1232 3.967,1233 3.021,1234 3.021,1235 3.082,1236 3.04,1237 2.855,1238 3.925,1239 2.796,1240 2.905,1241 2.958,1242 2.805,1243 2.758,1244 3.777,1245 2.765,1246 0.187,1247 0.142,1248 0.278,1249 0.17,1250 0.133,1251 4.855,1252 0.186,1253 3.703,1254 0.084,1255 7.221,1256 0.49,1257 4.409,1258 0.127,1259 3.446,1260 4.831,1261 2.186,1262 12.74,1263 3.314,1264 1.935,1265 1.922,1266 1.984,1267 2.025,1268 1.255,1269 2.019,1270 1.7,1271 1.63,1272 1.968,1273 1.902,1274 1.231,1275 1.925,1276 1.638,1277 1.592,1278 1.779,1279 1.808,1280 1.032,1281 1.801,1282 1.537,1283 1.476,1284 1.757,1285 1.719,1286 0.928,1287 1.74,1288 1.321,1289 1.263,1290 1.61,1291 1.624,1292 0.754,1293 1.613,1294 1.225,1295 1.133,1296 1.571,1297 1.478,1298 0.617,1299 1.516,1300 1.039,1301 0.959,1302 1.338,1303 1.282,1304 0.494,1305 1.288,1306 0.945,1307 0.889,1308 1.203,1309 1.219,1310 0.258,1311 1.248,1312 3.97,1314 5.303,1315 3.045,1316 6.841,1317 5.533,1318 8.487,1319 7.751,1320 10.2,1321 3.643,1322 5.982,1328 4.532,1329 2.775,1330 5.486,1340 28.787,1341 74.163,1342 165.373,1343 219.819,1344 229.819,1345 229.819,1346 229.819,1347 38.32,1348 7.256,1349 55.62,1350 55.62,1351 16,1352 12.727,1353 3.7,1354 3,1355 39.352,1356 83,1357 110,1358 0.243,1359 183.977,1360 315.1,1361 440.664,1362 12089,1363 2.2,1364 17.267,1365 0.719,1366 0.661,1367 18.267,1368 15.865,1369 11.579,1370 0.445,1371 0.35,1372 8.229,1373 10.635,1374 7.901,1375 6.607,1376 12.156,1377 9.088,1378 10.12,1379 0.274,1380 0.184,1381 10.787,1382 6.791,1383 8.932,1384 0.169,1385 0.1,1386 9.789,1387 5.314,1388 7.768,1389 0.104,1390 0.053,1391 8.565,1392 3.983,1393 6.139,1394 0.065,1395 0.029,1396 6.964,1397 2.703,1398 0.375,1399 80.873,1400 0.244,1401 23.26,1402 0.68,1403 126,1404 359.749,1405 204.147,1406 380.391,1407 515.71,1408 356,1409 153,1410 360.262,1411 206.451,1412 375.516,1413 559.88,1414 353,1415 5.499}
{0 CHEMBL349127,1 1.519,2 13.37,3 0.973,4 0.947,5 105.054,6 6.843,7 0.172,8 4.074,9 4.221,10 3.568,11 3.505,12 5.119,13 3.49,14 4.663,15 4.892,16 3.865,17 3.891,18 5.538,19 3.848,20 4.905,21 5.155,22 3.84,23 4.051,24 5.784,25 3.939,26 4.985,27 5.268,28 3.805,29 4.068,30 5.882,31 3.916,32 4.937,33 5.232,34 3.698,35 3.945,36 5.792,37 3.812,38 4.73,39 4.992,40 3.524,41 3.804,42 5.721,43 3.675,44 4.599,45 4.877,46 3.452,47 3.684,48 5.476,49 3.55,50 4.524,51 4.789,52 3.424,53 3.61,54 5.399,55 3.505,56 0.029,57 0.833,58 12.531,59 4.11,60 12.849,61 6.52,62 0.288,63 1.267,64 24.362,65 6.319,66 18.525,67 10.693,68 0.507,69 1.453,70 31.587,71 9.293,72 39.416,73 14.768,74 0.348,75 1.479,76 34.097,77 11.18,78 58.213,79 17.411,80 0.432,81 1.32,82 33.444,83 9.258,84 47.371,85 15.119,86 0.493,87 1.142,88 26.93,89 7.298,90 60.525,91 11.873,92 0.229,93 1.007,94 23.145,95 7.077,96 36.244,97 11.329,98 0.32,99 0.916,100 21.856,101 6.21,102 31.2,103 9.886,104 15,105 38,106 0.254,107 0.516,108 0.662,109 0.785,110 0.829,111 0.835,112 3.339,113 0.974,114 -0.35,115 -0.48,116 -0.64,121 35.2,126 1,127 10,138 1,141 1,144 2,154 2,160 2,176 1,180 5,183 1,185 1,191 2,192 1,195 2,197 1,205 3,206 1,209 2,211 1,223 1,224 1,231 2,232 2,235 1,244 2,247 2,256 1,259 1,261 1,264 1,268 1,272 1,274 1,277 1,281 1161,282 18.602,283 18.602,284 18.602,285 18.602,286 18.602,287 17.539,288 30.639,289 11.178,290 19.082,291 14.202,292 14.202,293 14.202,294 14.202,295 14.202,296 12.361,297 43.118,298 5.15,299 14.967,300 4.236,301 2.667,302 1.792,303 1.051,304 0.792,305 0.755,306 4.021,311 1,312 1,313 762,314 3.606,317 174.024,318 100.667,325 2.181,326 22.097,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 58.5,338 361,339 4.392,340 4.259,341 6.5,342 3.96,343 3.018,344 3.798,345 2.689,346 10.151,347 2.846,348 4.129,349 3.869,350 5.723,351 3.776,352 2.797,353 3.736,354 1.539,355 8.121,356 2.749,357 3.615,358 3.209,359 5.38,360 3.494,361 2.556,362 2.658,363 0.916,364 7.082,365 2.386,366 3.581,367 3.084,368 5.201,369 3.13,370 2.178,371 2.465,372 0.886,373 6.153,374 2.07,375 3.303,376 2.836,377 4.972,378 3.077,379 2.137,380 2.369,381 0.8,382 5.92,383 2.013,384 3.263,385 2.544,386 4.691,387 2.761,388 1.816,389 1.971,390 0.657,391 5.106,392 1.705,393 2.948,394 2.282,395 3.999,396 2.454,397 1.507,398 1.61,399 0.4,400 3.401,401 1.424,402 2.81,403 2.141,404 3.538,405 2.03,406 1.111,407 1.303,408 0.172,409 2.582,410 1.02,411 2.465,412 1.757,413 3.414,414 1.967,415 1,416 1.2,418 2.275,419 0.965,420 2.226,421 1.455,422 3.398,423 1.878,424 0.928,425 1.097,427 2.131,428 0.879,429 2.102,430 1.146,431 3.275,432 1.736,433 0.744,434 1.03,436 1.764,437 0.738,438 2,439 1.069,440 2.93,441 1.547,442 0.618,443 1,445 0.791,446 0.572,447 1.526,448 0.851,449 2.727,450 1.28,451 0.328,452 0.35,454 0.766,455 0.312,456 1.393,457 0.525,458 2.618,459 1.077,460 0.121,461 0.127,463 0.285,464 0.115,465 1.189,466 0.329,467 2.313,468 0.67,469 -0.259,470 -0.418,472 -0.361,473 -0.239,474 12.633,475 0.468,476 0.482,477 0.018,478 29.75,479 1.102,480 11,481 0.407,482 18.75,483 0.694,484 23.965,485 0.888,486 30.567,487 0.566,488 21.133,489 0.783,490 6.032,491 0.223,492 7.158,493 0.265,494 0.103,496 0.253,501 0.975,502 1.759,503 0.875,504 1.363,505 0.444,506 1.136,507 1.36,508 1.076,509 1.028,510 0.921,511 0.454,512 0.908,513 1.169,514 1,515 1.126,516 1.045,517 0.527,518 1.085,519 0.56,520 1.042,521 0.87,522 1.152,523 0.396,524 1.077,525 1.192,526 0.88,527 0.918,528 0.862,529 0.97,530 0.862,531 1.405,532 0.926,533 1.257,534 1.018,535 1.825,536 1.114,537 0.768,538 1.062,539 0.93,540 1.124,541 0.792,542 1.061,543 1.361,544 0.925,545 0.996,546 0.912,547 0.873,548 0.919,549 5,550 0.114,551 2.444,552 1.569,553 1.002,554 0.543,555 0.384,556 0.177,557 0.207,558 0.106,559 10301,560 25621,561 2.057,562 50,564 25,567 2,572 1.692,573 1.952,574 3.688,575 0.304,577 1,582 82.02,583 1.519,584 3.087,585 3.963,586 4.704,587 4.963,588 5,589 3.102,590 4.385,591 4.729,592 3.888,593 1364.52,594 8.161,595 19170.3,597 1,600 310.764,601 1.277,602 4.698,603 0.172,604 0.006,605 0.064,606 0.045,607 0.03,608 0.018,609 0.016,610 0.008,611 0.009,612 0.005,613 0.374,614 0.33,615 1,616 0.983,617 138.809,618 -0.036,619 -0.425,620 0.069,621 -0.189,622 0.123,623 -0.063,624 -0.192,625 0.076,626 -0.027,627 0.068,628 0.004,629 0.058,630 -0.038,631 0.029,632 -0.139,633 -0.035,634 0.072,635 -0.098,636 0.195,637 -0.107,638 0.08,639 -0.123,640 0.262,641 -0.054,642 -0.074,643 -0.002,644 0.082,645 0.093,646 -0.073,647 0.107,648 -0.131,649 0.064,650 -0.25,651 -0.057,652 -0.323,653 -0.158,654 0.079,655 -0.105,656 0.033,657 -0.117,658 0.041,659 -0.056,660 -0.084,661 0.015,662 0.011,663 0.076,664 -0.076,665 0.058,666 1.521,667 3.026,668 0.593,669 28.741,670 0.998,671 1.145,672 -0.882,673 0.778,674 0.632,675 3.401,676 3.664,677 3.892,678 4.094,679 4.127,680 4.078,681 4.111,682 4.127,683 4.205,684 4.304,685 7.901,686 0.595,687 369.53,688 3.401,689 4.905,690 5.727,691 6.572,692 7.408,693 8.256,694 9.097,695 9.945,696 10.789,697 11.637,698 13,700 2,701 3,707 2,715 2,718 1,720 2,722 5,741 54,743 8,745 29,747 56,748 19,749 4,756 3,757 3,771 2,772 6,773 11,777 1,786 2,789 1,790 1,792 1,793 27,794 8,795 2,796 8,802 7,808 1,809 1,828 2,829 1,838 2,850 1,853 2,855 3,859 3,864 1,868 27,876 10,877 2,881 3,885 2,889 2,891 2,893 1.9,898 1,901 13.833,902 9.833,903 6.222,904 3.286,907 1.58,908 1.222,909 0.951,910 7.144,911 8.699,912 3.624,913 4.012,914 4.487,915 4.913,916 4.957,917 4.996,918 5.113,919 5.153,920 5.324,921 5.612,922 0.889,923 35,924 9.96,926 4.063,927 0.026,929 7.691,931 19.387,933 15.58,936 2.191,937 59.167,941 294.278,942 98.021,943 107.513,945 9.507,948 98.021,949 303.785,950 107.513,951 8.396,952 21.057,953 54.974,954 33.203,955 86.512,956 10.898,957 294.278,959 294.278,960 205.534,961 9.507,964 294.278,965 9.507,968 128.57,969 76.964,972 294.278,973 117.021,974 98.021,977 294.278,978 37.468,979 36.722,980 69.225,981 71.626,982 294.278,983 117.021,984 98.021,986 0.562,987 0.332,988 0.179,989 0.086,990 16,991 7,992 0.125,993 7,995 1,996 4.084,997 208.189,999 16,1000 120.382,1005 19.728,1006 9.778,1007 5.477,1009 117.021,1010 4.095,1013 5.94,1015 1.946,1017 36.022,1018 509.319,1019 36.5,1028 0.793,1031 53.876,1032 61.85,1034 0.264,1035 0.536,1036 0.689,1037 0.817,1038 0.862,1039 0.869,1040 4.877,1041 1.111,1042 5.673,1043 3.401,1044 4.344,1045 4.696,1046 3.224,1047 6.412,1048 4.243,1049 6.03,1050 1,1051 7.185,1052 2.582,1053 3.761,1054 4.248,1055 0.766,1056 7.182,1057 3.61,1058 7.3,1059 0.928,1060 8.793,1061 2.275,1062 5.866,1063 6.673,1064 4.783,1065 10.233,1066 5.672,1067 8.6,1068 0.744,1069 10.46,1070 2.131,1071 6.155,1072 7.171,1073 0.788,1074 11.879,1075 5.914,1076 9.935,1077 0.618,1078 12.168,1079 1.764,1080 7.655,1081 8.981,1082 6.667,1083 14.422,1084 7.37,1085 11.293,1086 0.328,1087 13.904,1088 0.791,1089 8.346,1090 9.911,1091 0.714,1092 16.44,1093 8.017,1094 12.671,1095 0.121,1096 15.661,1097 0.766,1098 9.6,1099 11.464,1100 8.62,1101 18.822,1102 9.225,1103 3.018,1104 -0.259,1105 17.436,1106 0.285,1107 10.488,1108 12.6,1109 0.622,1110 21.003,1111 10.069,1112 2.797,1113 10.151,1114 19.225,1115 -0.361,1116 11.637,1117 14.035,1118 10.59,1119 23.333,1120 11.171,1121 2.556,1122 8.121,1123 21.025,1124 3.798,1125 12.623,1126 15.27,1127 0.532,1128 25.587,1129 12.11,1130 2.178,1131 7.082,1132 22.836,1133 3.736,1134 13.729,1135 16.65,1136 12.566,1137 27.902,1138 13.168,1139 2.137,1140 6.153,1141 24.655,1142 2.658,1143 14.763,1144 17.932,1145 0.451,1146 30.188,1147 14.154,1148 1.816,1149 5.92,1150 26.481,1151 2.465,1152 15.853,1153 19.285,1154 14.544,1155 32.501,1156 15.194,1157 1.507,1158 5.106,1159 28.314,1160 2.369,1161 16.912,1162 20.59,1163 0.379,1164 34.802,1165 16.202,1166 10002,1167 15940,1168 19.474,1169 34.108,1170 44.262,1171 46.607,1172 43.357,1173 41.784,1174 41.718,1175 49.427,1176 16.121,1177 113.059,1178 39.587,1179 5.392,1180 6.041,1181 6.189,1182 5.027,1183 5.018,1184 6.553,1185 5.379,1186 16.833,1187 4.764,1188 12.42,1189 1.526,1190 1.607,1191 1.495,1192 1.441,1193 1.439,1194 1.704,1195 0.556,1196 3.899,1197 1.365,1198 3.982,1199 4.02,1200 3.918,1201 3.813,1202 6.856,1203 3.834,1204 3.88,1205 3.939,1206 3.825,1207 3.711,1208 6.782,1209 3.733,1210 3.791,1211 3.851,1212 3.676,1213 3.59,1214 5.039,1215 3.601,1216 3.524,1217 3.597,1218 3.427,1219 3.344,1220 4.512,1221 3.354,1222 3.402,1223 3.471,1224 3.279,1225 3.208,1226 4.385,1227 3.212,1228 3.264,1229 3.362,1230 3.091,1231 3.033,1232 4.185,1233 3.031,1234 3.111,1235 3.206,1236 2.915,1237 2.941,1238 3.894,1239 2.91,1240 3.048,1241 3.148,1242 2.866,1243 2.841,1244 3.622,1245 2.823,1246 0.151,1247 0.147,1248 0.224,1249 0.137,1250 0.104,1251 4.392,1252 0.131,1253 4.259,1254 0.093,1255 6.5,1256 0.35,1257 3.96,1258 0.098,1259 3.018,1260 3.798,1261 2.689,1262 10.151,1263 2.846,1264 1.793,1265 1.722,1266 2,1267 2.024,1268 1.309,1269 2.023,1270 1.705,1271 1.654,1272 1.89,1273 1.917,1274 1.173,1275 1.912,1276 1.601,1277 1.559,1278 1.749,1279 1.776,1280 1.002,1281 1.753,1282 1.522,1283 1.466,1284 1.713,1285 1.725,1286 0.906,1287 1.733,1288 1.473,1289 1.419,1290 1.669,1291 1.691,1292 0.846,1293 1.696,1294 1.311,1295 1.242,1296 1.548,1297 1.523,1298 0.825,1299 1.534,1300 1.153,1301 1.064,1302 1.513,1303 1.424,1304 0.629,1305 1.45,1306 1.147,1307 1.049,1308 1.49,1309 1.376,1310 0.603,1311 1.429,1312 4.078,1314 5.352,1315 3.045,1316 6.801,1317 5.283,1318 8.33,1319 7.261,1320 9.902,1322 2.159,1328 8.977,1329 6.494,1333 6.808,1338 18.053,1339 3.902,1340 32.133,1341 82.02,1342 166.722,1343 214.009,1344 254.009,1345 268.009,1346 270.009,1347 46.164,1348 7.12,1349 94.5,1350 94.5,1351 16,1352 12.197,1353 3.17,1354 3.087,1355 47.468,1356 131,1357 119,1358 0.175,1359 201.909,1360 356.59,1361 484.419,1362 13258,1364 19.062,1365 0.706,1366 0.588,1367 19.062,1368 15.87,1369 13.19,1370 0.455,1371 0.325,1372 9.235,1373 12.525,1374 9.028,1375 7.454,1376 13.19,1377 9.418,1378 11.123,1379 0.293,1380 0.184,1381 11.123,1382 6.985,1383 9.261,1384 0.193,1385 0.104,1386 9.261,1387 5.001,1388 7.469,1389 0.127,1390 0.057,1391 7.469,1392 3.388,1393 5.24,1394 0.086,1395 0.037,1396 5.24,1397 2.227,1398 0.288,1399 83.503,1400 0.227,1401 26.848,1402 0.443,1403 134,1404 382.627,1405 149.004,1406 371.872,1407 498.64,1408 348,1409 153,1410 355.597,1411 169.864,1412 360.243,1413 516.51,1414 336,1415 5.347}
{0 CHEMBL349791,1 1.236,2 4.111,3 2.3,4 5.289,5 37.562,6 6.431,7 0.667,8 2.999,9 3.113,10 2.443,11 2.543,12 4.069,13 2.49,14 3.468,15 3.659,16 2.637,17 2.802,18 4.43,19 2.728,20 3.491,21 3.669,22 2.526,23 2.82,24 4.445,25 2.705,26 3.52,27 3.783,28 2.133,29 2.612,30 4.32,31 2.42,32 3.304,33 3.603,34 1.492,35 2.233,36 3.989,37 1.994,38 2.756,39 3.083,40 0.633,41 1.736,42 3.296,43 1.399,44 2.455,45 2.918,46 0.081,47 1.008,48 2.565,49 0.606,56 0.016,57 0.228,58 4.348,59 1.954,60 4.574,61 2.574,62 0.075,63 0.336,64 7.29,65 2.872,66 9.539,67 3.82,68 0.056,69 0.353,70 7.362,71 3.04,72 8.868,73 4.086,74 0.054,75 0.341,76 7.565,77 2.977,78 9.769,79 4.179,80 0.088,81 0.252,82 6.213,83 2.186,84 9.477,85 3.075,86 0.018,87 0.151,88 3.319,89 1.359,90 4.104,91 2.014,92 0.024,93 0.091,94 2.444,95 0.84,96 3.214,97 1.338,104 6,105 11,106 0.277,107 0.581,108 0.746,109 0.84,110 0.84,111 0.84,112 2.355,113 0.978,114 -3.42,115 -3.4,116 -3.25,121 42.1,122 1,126 1,144 4,145 1,146 1,176 5,180 2,187 6,192 2,200 3,206 2,214 1,281 41,282 6.008,283 6.008,284 6.008,285 6.008,286 6.008,287 5.232,288 6.739,289 3.676,290 6.187,291 4.377,292 4.377,293 4.377,294 4.377,295 4.377,296 3.238,297 7.429,298 1.673,299 4.565,300 3.012,301 1.658,302 0.922,303 0.501,304 0.501,305 0.501,306 2.92,312 1,313 71,314 1.414,318 26.324,325 0.593,326 3.167,329 1,330 0.83,331 0.83,332 0.7,333 0.5,334 1,335 1,336 0.84,337 19,338 37,339 4.037,340 2.906,341 5.485,342 3.613,343 2.642,344 3.645,345 0.86,346 7.353,347 2.567,348 3.293,349 2.33,350 4.727,351 2.926,352 1.97,353 2.544,355 5.215,356 1.873,357 2.671,358 1.316,359 3.481,360 2.197,361 1.206,362 1.75,364 2.601,365 1.193,366 1.584,367 0.936,368 2.688,369 1.294,370 0.43,371 0.481,373 0.623,374 0.368,375 0.918,376 -0.13,377 2,378 0.589,379 -0.408,380 -0.511,382 -0.887,383 -0.406,384 0.588,385 -0.41,386 1.622,387 0.154,388 -0.795,389 -1.007,391 -1.791,392 -0.738,393 -0.071,394 -1.16,395 1.079,396 -0.362,397 -1.344,398 -1.78,400 -3.371,401 -1.301,402 -0.5,403 -1.388,404 0.514,405 -0.812,406 -1.701,407 -2.123,409 -4.252,410 -1.556,411 -0.52,412 -2,413 0.403,414 -1,415 -2,416 -3,417 -0.86,418 -5.491,419 -2,474 4.333,475 0.481,476 0.174,477 0.019,478 11.5,479 1.278,480 6.5,481 0.722,482 5,483 0.556,484 4.375,485 0.486,486 10.067,487 0.53,488 5.554,489 0.617,490 2.525,491 0.281,492 1.8,493 0.2,494 0.231,496 0.231,501 0.854,502 1.229,503 0.927,504 1.204,505 0.951,506 1.091,507 1.471,508 0.816,509 0.932,510 0.805,511 1.107,512 0.807,513 1.177,514 1.275,515 1.232,516 1.274,517 1.211,518 1.261,519 0.822,520 1.2,521 1.066,522 1.198,523 0.891,524 1.165,525 1.53,526 0.79,527 1.172,528 0.811,529 1.422,530 0.932,531 0.138,532 1.213,533 1.073,534 1.238,535 0.699,536 1.258,549 2,551 0.667,552 0.5,553 0.342,554 0.063,559 311,560 746,561 1.876,562 52.6,563 3,564 7,572 1.35,573 1.742,574 2.225,575 -0.848,582 23.491,583 1.236,584 2.59,585 3.326,586 3.747,587 3.747,588 3.747,589 1.53,590 2.948,591 3.146,592 2.15,593 77.395,594 5.005,595 440.417,600 80.711,601 1.436,602 3.086,603 0.222,605 0.061,606 0.056,607 0.068,608 0.031,613 0.438,614 1,615 1,616 1.187,617 26.614,618 0.032,619 -0.126,620 0.035,621 -0.111,622 -0.052,623 -0.047,624 -0.132,625 0.191,626 0.072,627 0.188,628 0.023,629 0.158,630 -0.119,631 -0.264,632 -0.276,633 -0.272,634 -0.221,635 -0.289,636 0.004,637 -0.283,638 -0.143,639 -0.276,640 -0.003,641 -0.233,642 -0.242,643 0.073,644 -0.204,645 0.049,646 -0.279,647 -0.057,648 0.052,649 -0.352,650 -0.236,651 -0.353,652 -0.131,653 -0.331,654 0.277,655 0.725,656 0.88,657 0.763,658 0.632,659 0.873,666 0.741,667 1.495,668 0.667,669 2.84,670 0.987,671 1.12,672 2.193,673 4.808,674 0.645,675 2.303,676 2.485,677 2.565,678 2.639,679 2.639,680 2.079,681 1.386,685 2.708,686 0.597,687 122.18,688 2.303,689 3.714,690 4.466,691 5.263,692 6.033,693 6.834,694 7.608,695 8.41,696 9.185,697 9.986,715 4,720 2,722 6,739 1,741 19,743 6,744 1,745 9,747 19,748 8,749 6,750 2,751 4,756 1,757 1,763 1,772 6,773 2,793 10,794 1,796 1,808 1,809 1,829 1,859 1,864 2,868 9,878 1,893 5.3,898 1,901 5.167,902 4,903 2.167,904 1.014,907 1.227,908 1.282,909 0.901,910 1.854,911 5.583,912 2.565,913 3.068,914 3.504,915 3.944,916 4.328,917 3.841,918 3.056,922 0.667,923 9,924 3.288,925 -0.035,926 1.214,927 -0.048,929 7.593,931 6.326,932 -0.013,933 4.531,934 -0.025,935 0.002,936 2.093,937 18.833,938 0.039,941 117.711,942 66.042,945 11,948 66.042,949 128.711,951 19.708,953 37.905,955 19.429,957 117.711,959 117.711,960 66.042,961 11,964 117.711,965 11,968 8.825,969 57.217,972 117.711,973 11,974 66.042,977 117.711,978 8.429,979 57.613,981 11,982 117.711,983 11,984 66.042,986 0.548,987 0.307,988 0.152,989 0.074,990 5,991 2,992 0.053,993 1,995 1,996 2.046,997 39.948,999 6,1000 26.529,1005 6.304,1006 2.647,1007 1.542,1009 11,1010 7.962,1015 2.157,1018 194.753,1019 12,1031 18.745,1032 21.285,1034 0.291,1035 0.61,1036 0.783,1037 0.882,1038 0.882,1039 0.882,1040 3.676,1041 -1.701,1042 4.394,1043 -3.371,1044 3.135,1045 3.738,1046 0.908,1047 5.03,1048 3.067,1049 4.838,1050 -2,1051 5.849,1052 -4.252,1053 2.565,1054 3.332,1056 5.602,1057 2.468,1058 6.092,1060 7.396,1061 -5.491,1062 4.554,1063 5.833,1064 0.739,1065 8.534,1066 4.429,1067 7.382,1069 8.99,1071 4.71,1072 6.136,1074 9.833,1075 4.532,1076 8.697,1078 10.612,1080 6.209,1081 8.16,1082 0.593,1083 12.27,1084 6.032,1085 10.029,1087 12.253,1089 6.735,1090 8.832,1092 13.899,1093 6.498,1094 11.374,1096 13.905,1098 7.987,1099 10.598,1100 0.469,1101 16.122,1102 7.759,1103 2.642,1105 15.566,1107 8.713,1108 11.487,1110 17.92,1111 8.425,1112 1.97,1113 7.353,1114 17.234,1116 9.836,1117 13.095,1118 0.366,1119 20.037,1120 9.554,1121 1.206,1122 5.215,1123 18.906,1124 3.645,1125 10.671,1126 14.12,1128 21.925,1129 10.334,1130 0.43,1131 2.601,1132 20.584,1133 2.544,1134 11.726,1135 15.626,1136 0.283,1137 23.987,1138 11.387,1139 -0.408,1140 0.623,1141 22.264,1142 1.75,1143 12.622,1144 16.739,1146 25.924,1147 12.233,1148 -0.795,1149 -0.887,1150 23.948,1151 0.481,1152 13.64,1153 18.177,1154 0.217,1155 27.956,1156 13.243,1157 -1.344,1158 -1.791,1159 25.634,1160 -0.511,1161 14.568,1162 19.349,1164 29.919,1165 14.128,1166 376,1167 618,1168 5.663,1169 12.261,1170 12.504,1171 12.844,1172 13.208,1173 12.417,1174 12.496,1175 16.841,1176 1.72,1177 31.584,1178 12.002,1179 4.557,1180 4.906,1181 5.082,1182 4.613,1183 4.642,1184 6.645,1185 1.72,1186 12.843,1187 4.567,1188 4.105,1189 1.389,1190 1.427,1191 1.468,1192 1.38,1193 1.388,1194 1.871,1195 0.191,1196 3.509,1197 1.334,1198 3.916,1199 3.942,1200 3.849,1201 3.847,1202 4.869,1203 3.843,1204 3.292,1205 3.354,1206 3.117,1207 3.061,1208 4.396,1209 3.059,1210 3.115,1211 3.205,1212 2.898,1213 2.918,1214 3.865,1215 2.906,1216 2.763,1217 2.838,1218 2.558,1219 2.622,1220 3.489,1221 2.596,1222 2.481,1223 2.586,1224 2.189,1225 2.281,1226 3.141,1227 2.243,1228 1.617,1229 1.769,1230 1.291,1231 1.182,1232 2.738,1233 1.153,1234 1.49,1235 1.619,1236 0.929,1237 0.996,1238 1.886,1239 0.985,1240 0.958,1241 1.207,1242 0.374,1243 0.55,1244 1.229,1245 0.472,1246 0.449,1247 0.323,1248 0.609,1249 0.401,1250 0.294,1251 4.037,1252 0.405,1253 2.906,1254 0.096,1255 5.485,1256 0.817,1257 3.613,1258 0.285,1259 2.642,1260 3.645,1261 0.86,1262 7.353,1263 2.567,1264 1.901,1265 1.877,1266 2.027,1267 1.996,1268 1.117,1269 2.007,1270 1.253,1271 1.186,1272 1.599,1273 1.544,1274 0.62,1275 1.562,1276 1.137,1277 1.052,1278 1.509,1279 1.376,1280 0.548,1281 1.427,1282 0.793,1283 0.722,1284 1.085,1285 0.98,1286 0.153,1287 1.02,1288 0.526,1289 0.426,1290 0.913,1291 0.771,1293 0.825,1296 0.341,1297 0.099,1299 0.191,1312 2.944,1314 4.143,1316 5.557,1318 7.062,1320 8.607,1322 3.72,1330 4.995,1340 11.349,1341 23.491,1342 49.201,1343 63.201,1344 71.201,1345 71.201,1346 71.201,1347 6.273,1348 4.357,1349 9.23,1350 9.23,1351 6,1352 10.588,1353 2.807,1354 2,1355 14.183,1356 15,1357 12,1358 0.558,1359 75.33,1360 124.57,1361 175.565,1362 247,1364 6.69,1365 0.743,1366 0.635,1367 6.69,1368 5.718,1369 4.326,1370 0.481,1371 0.326,1372 2.892,1373 4.169,1374 2.714,1375 2.349,1376 4.326,1377 2.934,1378 3.546,1379 0.322,1380 0.184,1381 3.546,1382 2.021,1383 2.622,1384 0.219,1385 0.102,1386 2.622,1387 1.225,1388 1.931,1389 0.149,1390 0.057,1391 1.931,1392 0.742,1393 1.331,1394 0.102,1395 0.033,1396 1.331,1397 0.434,1398 0.781,1399 27.07,1400 0.42,1401 8.834,1402 1.735,1403 40,1404 117.736,1405 42.879,1406 112.511,1407 150.68,1408 106,1409 43,1410 104.545,1411 45.658,1412 109.68,1413 151.67,1414 100,1415 5.31}
{0 CHEMBL349977,1 1.447,2 5.875,3 3.527,4 12.44,5 66.845,6 7.573,7 0.333,8 3.532,9 3.656,10 3.137,11 3.139,12 4.447,13 3.083,14 4.127,15 4.319,16 3.523,17 3.565,18 4.989,19 3.477,20 4.457,21 4.694,22 3.703,23 3.76,24 5.294,25 3.644,26 4.474,27 4.743,28 3.446,29 3.66,30 5.239,31 3.489,32 4.249,33 4.532,34 3.146,35 3.42,36 4.97,37 3.223,38 3.896,39 4.148,40 2.873,41 3.175,42 4.627,43 2.964,44 3.692,45 3.934,46 2.625,47 2.939,48 4.494,49 2.687,50 3.322,51 3.652,52 1.127,53 2.219,54 3.941,55 1.815,56 0.018,57 0.447,58 6.514,59 2.905,60 2.915,61 4.074,62 0.104,63 0.772,64 13.587,65 5.18,66 8.27,67 7.341,68 0.188,69 0.997,70 21.988,71 7.242,72 18.468,73 10.357,74 0.199,75 0.972,76 23.081,77 7.315,78 17.968,79 10.468,80 0.206,81 0.711,82 21.182,83 6.451,84 16.731,85 9.059,86 0.081,87 0.491,88 14.267,89 5.003,90 8.91,91 6.826,92 0.088,93 0.361,94 14.165,95 4.267,96 10.435,97 5.625,98 0.088,99 0.217,100 11.079,101 2.926,102 9.79,103 3.925,104 2,105 25,106 0.278,107 0.596,108 0.788,109 0.877,110 0.877,111 0.877,112 2.856,113 1.054,114 -4.87,115 -4.78,116 -4.48,121 41.9,123 4,127 2,144 3,145 1,146 2,160 1,176 6,179 1,180 5,187 5,192 7,200 4,206 4,214 3,219 2,227 6,239 6,251 6,281 160,282 11.069,283 11.069,284 11.069,285 11.069,286 11.069,287 10.081,288 13.406,289 6.625,290 11.333,291 8.91,292 8.91,293 8.91,294 8.91,295 8.91,296 7.407,297 16.629,298 3.165,299 9.422,300 3.507,301 1.848,302 0.847,303 0.387,304 0.387,305 0.387,306 3.539,308 1,311 1,312 1,313 207,314 1.581,318 47.566,319 30.925,322 40.438,323 44.884,325 0.906,326 8.736,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 33.333,338 94,339 4.446,340 3.522,341 6.542,342 4.06,343 3.115,344 4.086,345 1.469,346 10.341,347 2.939,348 3.886,349 3.071,350 6.027,351 3.569,352 2.64,353 3.144,354 0.739,355 8.585,356 2.448,357 3.311,358 2.478,359 5.067,360 2.926,361 1.99,362 2.551,363 0.169,364 5.857,365 1.818,366 2.95,367 2.102,368 4.479,369 2.636,370 1.673,371 2.076,373 4.436,374 1.614,375 2.726,376 1.648,377 3.926,378 2.524,379 1.567,380 1.74,382 3.366,383 1.466,384 2.6,385 1.475,386 3.723,387 2.369,388 1.38,389 1.601,391 3.211,392 1.36,393 1.941,394 1.157,395 3.247,396 1.721,397 0.787,398 0.869,400 1.837,401 0.708,402 1.173,403 0.424,404 2.731,405 0.924,411 1.095,412 0.197,413 2.411,414 0.816,415 -0.133,416 -0.146,418 -0.324,419 -0.124,420 0.841,421 -0.054,422 2.351,423 0.549,424 -0.376,425 -0.445,427 -0.876,428 -0.323,429 0.32,430 -0.474,431 2.314,432 0.044,433 -0.852,434 -0.977,436 -2.403,437 -0.717,438 0.248,439 -0.732,440 1.825,441 -0.029,442 -1,443 -1.223,445 -2.609,446 -0.967,447 -0.101,448 -1.109,449 1.332,450 -0.557,451 -1.388,452 -1.787,454 -3.574,455 -1.158,456 -0.422,457 -1.437,458 1.298,459 -0.738,460 -1.648,461 -1.836,463 -3.968,464 -1.584,465 -0.5,466 -1.47,467 1.195,468 -0.842,469 -1.794,470 -1.853,472 -5.19,473 -1.705,474 8.014,475 0.501,476 0.329,477 0.021,478 18.5,479 1.156,480 8,481 0.5,482 10.5,483 0.656,484 13.398,485 0.837,486 17.186,487 0.554,488 9.261,489 0.579,490 3.181,491 0.199,492 4.662,493 0.291,494 0.089,496 0.299,501 0.667,502 1.375,503 0.615,504 0.989,505 0.536,506 0.949,507 0.83,508 1.159,509 0.69,510 0.918,511 0.589,512 0.94,513 0.909,514 1.108,515 0.771,516 0.904,517 0.715,518 0.894,519 1.189,520 1.008,521 0.91,522 0.922,523 1.022,524 1,525 0.989,526 0.76,527 1.047,528 0.926,529 1.13,530 0.931,531 0.853,532 0.944,533 1.135,534 1.126,535 1.085,536 1.128,537 1.401,538 1.046,539 1.81,540 1.441,541 1.85,542 1.363,543 1.45,544 0.786,545 1.884,546 1.351,547 1.837,548 1.226,549 2.5,551 1.778,552 0.938,553 1.068,554 0.385,555 0.121,556 0.056,559 1903,560 4279,561 2.174,562 48.4,563 4,564 7,568 2,569 2,572 1.556,573 2.087,574 2.653,575 -0.795,577 1,579 1,582 44.871,583 1.447,584 3.106,585 4.107,586 4.567,587 4.567,588 4.567,589 1.906,590 3.156,591 3.979,592 2.669,593 320.323,594 6.717,595 2686.86,597 1,599 1,600 153.58,601 1.198,602 3.954,603 0.139,605 0.071,606 0.033,607 0.056,608 0.028,609 0.012,610 0.009,613 0.349,614 0.83,615 1,616 0.5,617 62.36,618 0.026,619 -0.201,620 0.035,621 -0.049,622 0.078,623 0.001,624 0.042,625 -0.04,626 0.031,627 -0.005,628 0.104,629 -0.011,630 0.068,631 -0.072,632 0.077,633 0.022,634 0.169,635 0.045,636 -0.157,637 -0.002,638 -0.046,639 -0.013,640 -0.063,641 -0.074,642 0.006,643 0.15,644 -0.016,645 0.052,646 -0.093,647 0.047,648 -0.044,649 -0.07,650 -0.075,651 -0.096,652 -0.136,653 -0.111,654 -0.179,655 -0.232,656 -0.309,657 -0.335,658 -0.36,659 -0.325,660 -0.199,661 -0.097,662 -0.355,663 -0.266,664 -0.345,665 -0.187,666 0.881,667 2.077,668 0.938,669 7.5,670 0.991,671 1.124,672 3.638,673 13.235,674 0.684,675 2.944,676 3.258,677 3.555,678 3.829,679 4.111,680 4.22,681 4.22,682 4.277,683 4.331,684 4.174,685 3.739,686 0.631,687 234.75,688 2.944,689 4.466,690 5.323,691 6.201,692 7.077,693 7.963,694 8.847,695 9.735,696 10.621,697 11.511,698 6.5,701 1,707 1,715 3,720 3,722 6,740 1,741 31,743 7,744 1,745 18,747 33,748 13,749 6,750 3,751 3,752 1,756 3,757 6,758 1,767 4,770 4,772 7,773 6,777 1,785 1,786 1,790 1,793 15,794 2,796 3,797 1,802 2,804 1,808 0.333,829 2,830 1,833 1,834 1,855 1,859 1,865 1,868 16,876 6,881 1,892 1,901 7.667,902 5.543,903 3.5,904 2.15,907 1.687,908 1.259,909 1.01,910 2.7,911 8.209,912 3.135,913 3.676,914 4.216,915 4.753,916 5.275,917 5.476,918 5.709,919 5.986,920 6.227,921 6.049,922 0.75,923 28,924 5.937,926 2.527,927 0.026,929 7.424,931 11.896,933 10.206,936 1.924,937 30.778,938 0.008,941 176.567,942 54.549,943 19.91,944 39.149,948 54.549,949 215.715,950 19.91,952 14.35,953 28.429,954 2.328,955 29.353,957 176.567,958 39.149,959 176.567,960 74.459,962 39.149,964 153.024,965 23.542,968 34.259,969 40.2,970 39.149,972 176.567,973 19.91,974 93.698,977 176.567,978 26.12,979 31.553,981 55.934,982 176.567,983 19.91,984 93.698,986 0.577,987 0.343,988 0.192,989 0.111,990 14,991 5,994 2,995 1.267,996 2.845,997 115.131,998 0.267,999 15,1000 64,1005 10.307,1006 4.191,1007 1.91,1009 19.91,1010 6.072,1015 3.046,1018 290.174,1019 22,1027 4.738,1028 1.234,1031 30.713,1032 34.847,1034 0.292,1035 0.627,1036 0.829,1037 0.922,1038 0.922,1039 0.922,1040 4.376,1042 5.293,1043 1.837,1044 3.932,1045 4.357,1046 1.743,1047 6.103,1048 3.818,1049 5.546,1050 -0.133,1051 6.845,1053 3.434,1054 4.086,1055 1.048,1056 6.986,1057 3.179,1058 6.842,1059 -0.376,1060 8.502,1061 -0.324,1062 5.509,1063 6.463,1064 2.018,1065 10.112,1066 5.282,1067 8.174,1068 -0.852,1069 10.222,1070 -0.876,1071 5.861,1072 7.04,1073 1.886,1074 11.837,1075 5.494,1076 9.541,1077 -1,1078 11.982,1079 -2.403,1080 7.381,1081 8.894,1082 2.535,1083 14.456,1084 7.03,1085 10.934,1086 -1.388,1087 13.769,1088 -2.609,1089 8.149,1090 9.88,1091 2.674,1092 16.52,1093 7.683,1094 12.347,1095 -1.648,1096 15.574,1097 -3.574,1098 9.432,1099 11.503,1100 3.183,1101 18.956,1102 8.956,1103 3.115,1104 -1.794,1105 17.393,1106 -3.968,1107 10.396,1108 12.693,1109 3.452,1110 21.166,1111 9.829,1112 2.64,1113 10.341,1114 19.222,1115 -5.19,1116 11.581,1117 14.208,1118 3.896,1119 23.532,1120 10.984,1121 1.99,1122 8.585,1123 21.058,1124 4.086,1125 12.634,1126 15.502,1127 4.225,1128 25.805,1129 11.962,1130 1.673,1131 5.857,1132 22.9,1133 3.144,1134 13.78,1135 16.964,1136 4.638,1137 28.146,1138 13.067,1139 1.567,1140 4.436,1141 24.746,1142 2.551,1143 14.874,1144 18.311,1145 4.996,1146 30.449,1147 14.094,1148 1.38,1149 3.366,1150 26.597,1151 2.076,1152 16.007,1153 19.746,1154 5.395,1155 32.782,1156 15.179,1157 0.787,1158 3.211,1159 28.45,1160 1.74,1161 17.12,1162 21.122,1163 5.767,1164 35.099,1165 16.231,1166 1850,1167 2873,1168 12.425,1169 21.199,1170 26.609,1171 26.94,1172 27.134,1173 26.465,1174 26.304,1175 32.132,1176 4.754,1177 75.267,1178 24.707,1179 5.388,1180 5.522,1181 6.297,1182 5.132,1183 5.115,1184 7.086,1185 2.496,1186 17.187,1187 4.939,1188 4.42,1189 1.478,1190 1.497,1191 1.507,1192 1.47,1193 1.461,1194 1.785,1195 0.264,1196 4.182,1197 1.373,1198 4.014,1199 4.054,1200 4.058,1201 3.923,1202 4.983,1203 3.925,1204 3.744,1205 3.795,1206 3.694,1207 3.637,1208 4.553,1209 3.624,1210 3.322,1211 3.398,1212 3.365,1213 3.155,1214 4.275,1215 3.154,1216 3.293,1217 3.37,1218 3.16,1219 3.134,1220 4.022,1221 3.118,1222 2.966,1223 3.022,1224 3.076,1225 2.856,1226 3.77,1227 2.836,1228 2.76,1229 2.832,1230 2.641,1231 2.625,1232 3.448,1233 2.607,1234 2.516,1235 2.613,1236 2.474,1237 2.291,1238 3.307,1239 2.28,1240 2.216,1241 2.339,1242 2.114,1243 1.969,1244 2.996,1245 1.938,1246 0.247,1247 0.196,1248 0.363,1249 0.226,1250 0.173,1251 4.446,1252 0.227,1253 3.522,1254 0.082,1255 6.542,1256 0.575,1257 4.06,1258 0.163,1259 3.115,1260 4.086,1261 1.469,1262 10.341,1263 2.939,1264 1.947,1265 1.92,1266 2.029,1267 2.058,1268 1.324,1269 2.055,1270 1.708,1271 1.644,1272 1.967,1273 1.871,1274 1.245,1275 1.908,1276 1.557,1277 1.497,1278 1.753,1279 1.726,1280 0.999,1281 1.741,1282 1.101,1283 1.035,1284 1.4,1285 1.295,1286 0.628,1287 1.339,1288 0.927,1289 0.871,1290 1.196,1291 1.138,1292 0.428,1293 1.157,1294 0.738,1295 0.651,1296 1.023,1297 0.959,1298 0.155,1299 1.007,1300 0.47,1301 0.384,1302 0.877,1303 0.741,1304 0.058,1305 0.797,1306 0.435,1307 0.317,1308 0.811,1309 0.709,1311 0.754,1312 3.611,1314 4.92,1316 6.438,1317 2.708,1318 8.061,1319 5.094,1320 9.742,1323 6.189,1328 7.091,1333 2.408,1340 19.558,1341 44.871,1342 96.296,1343 127.315,1344 141.58,1345 141.58,1346 141.58,1347 16.817,1348 6.522,1349 15.6,1350 15.6,1351 19,1352 12.041,1353 3,1354 2.322,1355 21.663,1356 40,1357 23,1358 0.314,1359 123.503,1360 212.13,1361 293.106,1362 5089,1363 3.2,1364 10.958,1365 0.685,1366 0.625,1367 11.458,1368 10.003,1369 7.843,1370 0.436,1371 0.351,1372 5.93,1373 7.398,1374 5.778,1375 4.753,1376 8.132,1377 6.321,1378 6.962,1379 0.278,1380 0.197,1381 7.332,1382 4.915,1383 6.068,1384 0.178,1385 0.108,1386 6.426,1387 3.671,1388 5.132,1389 0.114,1390 0.061,1391 5.439,1392 2.73,1393 4.378,1394 0.073,1395 0.034,1396 4.611,1397 2.014,1398 0.457,1399 51.219,1400 0.284,1401 15.645,1402 0.964,1403 86,1404 199.494,1405 106.043,1406 227.544,1407 310.42,1408 214,1409 102,1410 212.497,1411 119.531,1412 225.842,1413 334.81,1414 214,1415 5.824}
{0 CHEMBL350032,1 1.56,2 10.407,3 4.136,4 17.106,5 102.183,6 8.305,7 0.414,8 3.872,9 3.969,10 3.519,11 3.493,12 5.137,13 3.48,14 4.36,15 4.496,16 3.874,17 3.847,18 5.657,19 3.827,20 4.637,21 4.801,22 3.951,23 3.975,24 5.959,25 3.936,26 4.719,27 4.921,28 3.802,29 3.922,30 5.959,31 3.862,32 4.547,33 4.72,34 3.873,35 3.922,36 5.797,37 3.87,38 4.717,39 4.919,40 3.919,41 3.954,42 6.055,43 3.908,44 4.62,45 4.796,46 3.862,47 3.911,48 5.931,49 3.863,50 4.638,51 4.841,52 3.786,53 3.811,54 6.17,55 3.75,56 0.06,57 0.688,58 6.664,59 4.099,60 14.488,61 4.623,62 0.199,63 1.115,64 12.704,65 6.508,66 19.934,67 7.488,68 0.339,69 1.442,70 19.219,71 9.04,72 69.161,73 10.143,74 0.68,75 1.378,76 25.049,77 9.51,78 128.008,79 10.705,80 0.192,81 1.168,82 17.394,83 8.43,84 37.74,85 10.44,86 0.574,87 1.351,88 24.281,89 9.52,90 113.908,91 11.41,92 0.345,93 1.286,94 19.72,95 8.723,96 71.413,97 10.151,98 0.849,99 1.42,100 23.318,101 9.153,102 148.786,103 10.573,104 28,105 40,106 0.267,107 0.559,108 0.676,109 0.718,110 0.718,111 0.718,112 3.34,113 0.863,114 -5.18,115 -5.07,116 -4.75,121 50,127 2,136 1,137 3,138 2,144 8,145 2,146 2,158 1,160 1,176 13,179 1,180 6,187 15,192 6,200 14,205 1,206 6,214 9,219 10,227 10,231 1,232 11,239 13,244 5,251 14,256 4,264 16,277 12,281 1143,282 17.972,283 17.972,284 17.972,285 17.972,286 17.972,287 15.793,288 14.364,289 10.505,290 18.142,291 14.216,292 14.216,293 14.216,294 14.216,295 14.216,296 10.783,297 15.025,298 4.962,299 14.509,300 3.9,301 2.201,302 1.517,303 1.273,304 1.273,305 1.273,306 4.019,311 1,312 1,313 591,314 3.162,318 279.895,325 1.608,326 43.347,328 1,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 59.5,338 281,339 4.405,340 3.741,341 6.487,342 4.095,343 3.096,344 3.87,345 1.259,346 10.106,347 3.097,348 4.068,349 3.525,350 5.929,351 3.633,352 2.646,353 3.676,354 0.577,355 8.179,356 2.612,357 3.981,358 2.921,359 5.565,360 3.62,361 2.639,362 3.499,363 0.359,364 7.58,365 2.578,366 3.857,367 2.914,368 5.384,369 3.492,370 2.503,371 3.1,373 7.015,374 2.468,375 3.617,376 2.54,377 5.107,378 3.162,379 2.205,380 2.95,382 6.154,383 2.096,384 3.379,385 2.491,386 4.881,387 2.985,388 2.027,389 2.656,391 5.645,392 1.915,393 3.124,394 2.291,395 4.776,396 2.724,397 1.744,398 2.269,400 5.204,401 1.697,402 2.765,403 2.051,404 4.201,405 2.417,406 1.414,407 1.706,409 3.58,410 1.403,411 2.5,412 1.508,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.5,421 1,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.336,430 1,431 3.412,432 1.646,433 0.608,434 0.942,436 1.522,437 0.623,438 2.044,439 0.759,440 2.974,441 1.234,442 0.201,443 0.334,445 0.458,446 0.204,447 1.423,448 0.584,449 2.669,450 1.14,451 0.184,452 0.217,454 0.287,455 0.173,456 1.252,457 0.525,458 2.517,459 0.885,460 -0.098,461 -0.13,463 -0.208,464 -0.094,465 0.96,466 0.035,467 2.137,468 0.548,469 -0.379,470 -0.459,472 -0.976,473 -0.342,474 12.638,475 0.468,476 0.715,477 0.026,478 35.75,479 1.324,480 19.5,481 0.722,482 16.25,483 0.602,484 19.183,485 0.71,486 28.162,487 0.64,488 30.066,489 1.114,490 7.704,491 0.285,492 5.253,493 0.195,494 0.138,496 0.348,499 2,501 0.51,502 0.912,503 0.648,504 0.958,505 0.53,506 0.88,507 0.631,508 0.944,509 0.781,510 0.984,511 0.569,512 0.94,513 0.958,514 1.088,515 1.037,516 1.169,517 0.917,518 1.137,519 1.171,520 0.701,521 1.165,522 0.805,523 1.26,524 0.934,525 0.501,526 0.835,527 0.776,528 1.118,529 0.529,530 1.061,531 0.853,532 0.699,533 0.895,534 0.833,535 0.856,536 0.861,537 0.849,538 0.899,539 0.995,540 1.094,541 0.875,542 1.093,543 0.982,544 0.849,545 1.066,546 0.942,547 1.089,548 1.015,549 6.5,550 0.14,551 3.111,552 1.5,553 1.769,554 1.014,555 0.85,556 0.528,557 0.329,558 0.225,559 8171,560 28536,561 2.014,562 38.6,564 17,572 1.707,573 1.862,574 3.345,575 -0.806,577 1,582 68.621,583 1.56,584 3.258,585 3.942,586 4.187,587 4.187,588 4.187,589 2.858,590 3.718,591 4.722,592 3.482,593 1222.25,594 8.233,595 15708.5,597 1,599 1,600 240.215,601 1.487,602 4.672,603 0.224,604 0.009,605 0.078,606 0.037,607 0.051,608 0.026,609 0.021,610 0.014,611 0.01,612 0.009,613 0.479,614 0.67,615 1,616 0.979,617 133.064,618 -0.007,619 -0.046,620 0.025,621 -0.01,622 -0.044,623 0.009,624 0.008,625 -0.049,626 -0.005,627 -0.05,628 0.025,629 -0.036,630 -0.09,631 -0.129,632 -0.15,633 -0.204,634 -0.053,635 -0.196,636 -0.181,637 0.12,638 -0.165,639 0.147,640 -0.216,641 0.037,642 0.041,643 -0.14,644 0.071,645 -0.164,646 0.054,647 -0.072,648 -0.025,649 0.046,650 0.075,651 0.113,652 0.017,653 0.126,654 -0.073,655 -0.125,656 -0.091,657 -0.148,658 -0.058,659 -0.131,660 0.153,661 0.152,662 -0.027,663 0.048,664 0.074,665 -0.027,666 2.035,667 5.876,668 0.667,669 25.333,670 1.017,671 1.121,672 3.951,673 15.612,674 0.696,675 3.401,676 3.714,677 3.932,678 4.127,679 4.419,680 4.443,681 4.533,682 4.644,683 4.71,684 4.727,685 6.179,686 0.681,687 365.4,688 3.401,689 4.934,690 5.765,691 6.627,692 7.479,693 8.345,694 9.207,695 10.077,696 10.944,697 11.817,698 2.3,705 1,715 8,720 4,722 12,740 2,741 44,743 17,744 2,745 29,747 46,748 22,749 12,750 4,751 8,752 8,756 3,757 3,772 20,773 2,777 5,778 1,782 2,784 3,786 4,790 1,791 2,793 17,794 5,796 5,802 1,808 1,809 2,829 3,841 1,844 1,848 1,849 3,850 2,859 3,866 2,868 27,876 2,881 1,892 2,893 4.5,896 2,901 14.5,902 7.986,903 6,904 2.474,907 3.003,908 1.423,909 0.986,910 5.541,911 10.106,912 3.714,913 4.263,914 4.783,915 5.219,916 5.778,917 5.969,918 6.3,919 6.696,920 7,921 7.241,922 1,923 41,924 10.046,926 4.365,927 0.026,929 8.216,931 18.355,933 14.829,936 2.716,937 73.333,940 1,941 200.109,942 165.04,943 3.124,945 50.29,946 29.92,948 165.04,949 250.399,950 33.045,952 23.103,953 104.239,954 60.128,955 30.984,956 29.92,957 200.109,959 200.109,960 168.164,961 80.21,964 230.029,965 50.29,968 7.336,969 132.399,970 28.429,972 230.029,973 53.414,974 165.04,977 200.109,978 45.034,979 107.363,981 95.977,982 200.109,983 83.334,984 165.04,986 0.582,987 0.333,988 0.162,989 0.1,990 18,991 9,992 0.065,993 3,995 1,996 3.8,997 225.296,999 18,1000 100.382,1005 18.63,1006 8.03,1007 4.523,1009 83.334,1010 11.48,1015 0.586,1018 448.483,1019 40,1020 3.494,1024 24.978,1026 4.479,1028 0.335,1031 44.734,1032 49.333,1034 0.286,1035 0.597,1036 0.722,1037 0.767,1038 0.767,1039 0.767,1040 4.942,1041 1.414,1042 5.753,1043 5.204,1044 4.394,1045 4.949,1046 1.603,1047 6.524,1048 4.36,1049 6.15,1050 1,1051 7.295,1052 3.58,1053 4.007,1054 4.691,1055 0.325,1056 7.33,1057 3.941,1058 7.446,1059 1,1060 8.929,1061 2.275,1062 5.964,1063 7.066,1064 1.709,1065 10.379,1066 5.903,1067 8.772,1068 0.608,1069 10.615,1070 2.275,1071 6.33,1072 7.544,1073 0.82,1074 11.956,1075 6.256,1076 10.125,1077 0.201,1078 12.333,1079 1.522,1080 7.779,1081 9.408,1082 1.965,1083 14.542,1084 7.707,1085 11.495,1086 0.184,1087 14.074,1088 0.458,1089 8.5,1090 10.233,1091 1.329,1092 16.48,1093 8.428,1094 12.878,1095 -0.098,1096 15.832,1097 0.287,1098 9.742,1099 11.867,1100 2.285,1101 18.893,1102 9.668,1103 3.096,1104 -0.379,1105 17.604,1106 -0.208,1107 10.645,1108 12.885,1109 1.834,1110 21.014,1111 10.578,1112 2.646,1113 10.106,1114 19.388,1115 -0.976,1116 11.798,1117 14.396,1118 2.643,1119 23.359,1120 11.731,1121 2.639,1122 8.179,1123 21.182,1124 3.87,1125 12.798,1126 15.529,1127 2.335,1128 25.574,1129 12.738,1130 2.503,1131 7.58,1132 22.985,1133 3.676,1134 13.917,1135 16.969,1136 3.026,1137 27.893,1138 13.858,1139 2.205,1140 7.015,1141 24.795,1142 3.499,1143 14.969,1144 18.175,1145 2.832,1146 30.155,1147 14.918,1148 2.027,1149 6.154,1150 26.613,1151 3.1,1152 16.077,1153 19.572,1154 3.428,1155 32.465,1156 16.029,1157 1.744,1158 5.645,1159 28.436,1160 2.95,1161 17.158,1162 20.824,1163 3.324,1164 34.751,1165 17.116,1166 8068,1167 15170,1168 18.898,1169 30.642,1170 44.137,1171 45.679,1172 44.883,1173 42.738,1174 42.537,1175 56.438,1176 4.39,1177 120.559,1178 41.734,1179 5.405,1180 5.741,1181 6.031,1182 5.132,1183 5.096,1184 6.87,1185 2.373,1186 17.118,1187 5.097,1188 15.061,1189 1.522,1190 1.575,1191 1.548,1192 1.474,1193 1.467,1194 1.946,1195 0.151,1196 4.157,1197 1.439,1198 4.016,1199 4.042,1200 3.967,1201 3.94,1202 8.203,1203 3.942,1204 3.902,1205 3.928,1206 3.851,1207 3.842,1208 8.2,1209 3.839,1210 3.786,1211 3.821,1212 3.731,1213 3.659,1214 7.431,1215 3.671,1216 3.547,1217 3.573,1218 3.482,1219 3.41,1220 7.425,1221 3.418,1222 3.293,1223 3.335,1224 3.216,1225 3.203,1226 4.709,1227 3.198,1228 3.089,1229 3.156,1230 2.958,1231 2.879,1232 4.654,1233 2.889,1234 2.879,1235 2.925,1236 2.846,1237 2.735,1238 4.646,1239 2.715,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 4.257,1245 2.715,1246 0.152,1247 0.129,1248 0.224,1249 0.141,1250 0.107,1251 4.405,1252 0.133,1253 3.741,1254 0.043,1255 6.487,1256 0.348,1257 4.095,1258 0.107,1259 3.096,1260 3.87,1261 1.259,1262 10.106,1263 3.097,1264 1.965,1265 1.944,1266 2.06,1267 2.064,1268 1.235,1269 2.062,1270 1.897,1271 1.874,1272 1.999,1273 1.979,1274 1.091,1275 1.986,1276 1.741,1277 1.709,1278 1.868,1279 1.894,1280 1.002,1281 1.887,1282 1.508,1283 1.476,1284 1.698,1285 1.668,1286 0.695,1287 1.673,1288 1.291,1289 1.252,1290 1.483,1291 1.42,1292 0.529,1293 1.441,1294 1.035,1295 0.969,1296 1.262,1297 1.285,1298 0.35,1299 1.279,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 4.078,1314 5.389,1316 6.891,1318 8.475,1320 10.104,1324 26.202,1328 0.281,1333 1.499,1340 29.959,1341 68.621,1342 143.354,1343 173.46,1344 184.215,1345 184.215,1346 184.215,1347 72.828,1348 7.102,1349 37.38,1350 37.38,1351 18,1352 12.359,1353 4.17,1354 3.585,1355 46.654,1356 99,1357 106,1358 0.231,1359 184.604,1360 341.96,1361 442.193,1362 10491,1363 4.5,1364 19.389,1365 0.718,1366 0.537,1367 17.648,1368 14.492,1369 12.957,1370 0.447,1371 0.288,1372 8.237,1373 12.495,1374 8.056,1375 6.67,1376 12.169,1377 8.344,1378 11.719,1379 0.293,1380 0.154,1381 10.476,1382 6.17,1383 9.69,1384 0.194,1385 0.084,1386 8.868,1387 4.214,1388 7.094,1389 0.116,1390 0.047,1391 6.81,1392 2.845,1393 6.313,1394 0.077,1395 0.024,1396 5.731,1397 2.006,1398 0.357,1399 81.202,1400 0.23,1401 25.771,1402 0.653,1403 138,1404 537.338,1405 152.394,1406 470.243,1407 609.09,1408 434,1409 159,1410 418.756,1411 172.137,1412 416.243,1413 601.78,1414 390,1415 4.82}
{0 CHEMBL350464,1 1.535,2 8.905,3 3.059,4 9.357,5 81.994,6 7.134,7 0.435,8 3.788,9 3.911,10 3.324,11 3.289,12 4.851,13 3.273,14 4.341,15 4.537,16 3.698,17 3.681,18 5.414,19 3.645,20 4.482,21 4.684,22 3.73,23 3.781,24 5.486,25 3.732,26 4.484,27 4.653,28 3.67,29 3.805,30 5.537,31 3.741,32 4.571,33 4.788,34 3.528,35 3.795,36 5.516,37 3.673,38 4.611,39 4.897,40 3.33,41 3.641,42 5.435,43 3.489,44 4.347,45 4.613,46 3.135,47 3.392,48 5.252,49 3.249,50 4.133,51 4.401,52 2.944,53 3.157,54 5.096,55 3.031,56 0.012,57 0.593,58 8.686,59 3.56,60 5.2,61 4.875,62 0.33,63 0.938,64 16.88,65 5.722,66 29.711,67 8.304,68 0.21,69 1.044,70 19.608,71 6.883,72 23.369,73 9.636,74 0.217,75 1.058,76 19.218,77 6.861,78 27.318,79 9.358,80 0.195,81 1.094,82 21.417,83 7.941,84 26.389,85 11.338,86 0.235,87 1.011,88 24.104,89 7.96,90 29.627,91 11.867,92 0.317,93 0.766,94 18.5,95 6.227,96 26.432,97 8.987,98 0.132,99 0.63,100 14.712,101 4.695,102 22.038,103 7,104 26,105 33,106 0.273,107 0.627,108 0.792,109 0.858,110 0.858,111 0.858,112 3.104,113 0.939,114 -2.77,115 -2.79,116 -2.7,121 40,122 1,123 2,126 2,127 1,144 3,145 2,146 1,154 2,159 1,161 1,176 5,179 1,180 7,183 2,187 5,191 1,192 8,200 5,206 4,211 2,214 4,218 1,219 6,224 2,227 4,232 3,237 1,239 2,243 2,244 1,247 1,249 1,251 2,256 1,261 1,264 1,268 1,269 1,272 1,281 525,282 14.309,283 14.309,284 14.309,285 14.309,286 14.309,287 12.73,288 18.645,289 8.35,290 14.696,291 11.242,292 11.242,293 11.242,294 11.242,295 11.242,296 8.623,297 20.397,298 3.795,299 11.769,300 3.787,301 1.803,302 0.875,303 0.507,304 0.507,305 0.507,306 3.781,310 1,311 1,312 1,313 393,314 3.24,317 71.103,318 43.405,320 58.23,321 63.651,324 89.123,325 1.433,326 15.964,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 45.5,338 187,339 4.804,340 3.663,341 7.127,342 4.369,343 3.399,344 4.757,345 2.186,346 12.389,347 3.301,348 4.051,349 3.537,350 6.099,351 3.641,352 2.683,353 3.541,354 0.986,355 8.762,356 2.573,357 3.768,358 2.902,359 5.617,360 3.37,361 2.427,362 3.086,363 0.366,364 7.277,365 2.261,366 3.474,367 2.548,368 5.419,369 3.062,370 2.104,371 2.799,373 6.79,374 2.007,375 3.386,376 2.29,377 4.87,378 2.946,379 1.971,380 2.618,382 5.315,383 1.908,384 2.977,385 1.818,386 4.69,387 2.502,388 1.552,389 2.102,391 4.625,392 1.469,393 2.47,394 1.343,395 3.86,396 2.14,397 1.156,398 1.456,400 2.812,401 1.136,402 2.034,403 1.113,404 3.5,405 1.88,406 0.899,407 1,409 1.861,410 0.88,411 1.82,412 1.105,413 3.164,414 1.671,415 0.701,416 0.766,418 1.534,419 0.678,420 1.507,421 0.879,422 2.907,423 1.301,424 0.385,425 0.411,427 0.579,428 0.348,429 1.227,430 0.631,431 2.547,432 0.799,433 -0.171,434 -0.219,436 -0.382,437 -0.163,438 0.987,439 0.011,440 2.334,441 0.611,442 -0.348,443 -0.416,445 -0.624,446 -0.332,447 0.702,448 -0.213,449 2.243,450 0.315,451 -0.668,452 -0.835,454 -1.669,455 -0.651,456 0.556,457 -0.564,458 2,459 0.095,460 -0.895,461 -1.222,463 -2.369,464 -0.876,465 0.1,466 -0.902,467 1.852,468 -0.156,469 -1.117,470 -1.345,472 -2.89,473 -1.068,474 9.867,475 0.47,476 0.521,477 0.025,478 25.5,479 1.214,480 11.5,481 0.548,482 14,483 0.667,484 16.768,485 0.798,486 23.133,487 0.578,488 17.537,489 0.835,490 5.069,491 0.241,492 5.083,493 0.242,494 0.186,496 0.395,501 0.796,502 1.472,503 0.808,504 1.201,505 0.607,506 1.031,507 0.668,508 0.917,509 0.75,510 0.784,511 0.441,512 0.764,513 1.078,514 0.983,515 0.881,516 0.902,517 0.825,518 0.864,519 1.393,520 1.188,521 1.255,522 1.159,523 1.221,524 1.182,525 0.795,526 1.238,527 1.169,528 1.326,529 0.883,530 1.31,531 0.822,532 0.952,533 0.894,534 0.981,535 0.698,536 0.953,537 0.87,538 0.883,539 0.948,540 0.986,541 0.84,542 0.997,543 0.96,544 1.152,545 0.946,546 1.11,547 1.345,548 1.039,549 4,550 0.033,551 2.444,552 2.201,553 1.268,554 0.743,555 0.445,556 0.306,557 0.199,558 0.065,559 3896,560 9991,561 2.045,562 47.5,563 2,564 11,567 1,568 2,569 3,572 1.634,573 1.881,574 3.107,575 -0.291,576 1,577 1,579 1,582 61.412,583 1.535,584 3.519,585 4.446,586 4.815,587 4.815,588 4.815,589 2.661,590 4.071,591 4.354,592 3.218,593 675.884,594 7.479,595 6910.73,596 1,597 1,598 1,599 1,600 212.877,601 1.51,602 4.305,603 0.174,604 0.008,605 0.074,606 0.065,607 0.041,608 0.03,609 0.022,610 0.019,611 0.015,612 0.009,613 0.458,614 0.83,615 1,616 1.52,617 93.483,618 -0.027,619 -0.247,620 0.064,621 -0.103,622 -0.043,623 -0.02,624 0.269,625 0.207,626 0.197,627 0.216,628 0.229,629 0.205,630 -0.079,631 0.085,632 0.072,633 0.108,634 -0.025,635 0.114,636 -0.273,637 -0.08,638 -0.315,639 -0.135,640 -0.153,641 -0.217,642 -0.02,643 -0.212,644 -0.246,645 -0.305,646 -0.062,647 -0.311,648 0.004,649 -0.07,650 0.089,651 -0.019,652 0.026,653 0.041,654 0.152,655 -0.001,656 0.049,657 -0.018,658 0.037,659 -0.014,660 -0.008,661 -0.249,662 0.046,663 -0.16,664 -0.025,665 -0.064,666 2.116,667 4.336,668 0.571,669 17.333,670 1.001,671 1.131,672 1.544,673 2.383,674 0.65,675 3.178,676 3.526,677 3.871,678 4.22,679 4.443,680 4.615,681 4.796,682 4.89,683 4.852,684 4.804,685 5.067,686 0.618,687 285.38,688 3.178,689 4.727,690 5.609,691 6.524,692 7.435,693 8.364,694 9.289,695 10.224,696 11.156,697 12.095,698 7.5,705 1,706 1,707 1,714 2,715 3,720 3,721 1,722 10,725 1,737 1,741 40,743 12,744 1,745 23,747 42,748 16,749 8,750 3,751 3,752 1,756 3,757 6,763 1,767 2,770 2,772 10,773 6,777 2,782 1,785 1,786 2,789 1,790 1,793 19,794 4,795 1,796 5,802 3,808 0.333,809 2,824 1,828 2,829 1,831 1,832 1,835 1,859 1,864 3,868 21,876 3,877 1,878 1,893 5,896 1,898 1,901 11.167,902 8.233,903 4.75,904 2.582,907 2.458,908 1.349,909 0.982,910 3.724,911 9.495,912 3.434,913 4.082,914 4.744,915 5.422,916 5.988,917 6.441,918 6.909,919 7.304,920 7.434,921 7.564,922 1,923 34,924 7.75,926 3.231,927 0.026,929 7.698,931 14.944,933 12.172,936 2.198,937 46.167,938 0.001,941 211.88,942 86.644,943 36.695,945 36.145,948 86.644,949 248.025,950 36.695,951 25.618,952 25.186,953 28.429,954 27.902,955 40.686,956 11.663,957 211.88,959 211.88,960 123.339,961 36.145,964 176.567,965 71.458,968 52.695,969 70.644,972 211.88,973 72.84,974 86.644,977 211.88,978 32.597,979 55.946,980 18.011,981 52.93,982 211.88,983 72.84,984 86.644,986 0.575,987 0.352,988 0.201,989 0.112,990 17,991 8,992 0.071,993 3,994 2,995 1.333,996 3.246,997 166.74,998 0.333,999 12,1000 92.239,1005 14.146,1006 5.528,1007 2.336,1008 2.294,1009 70.941,1010 5.761,1015 3.099,1016 2.19,1017 18.011,1018 371.364,1019 30,1024 11.336,1027 4.606,1028 0.732,1031 40.029,1032 45.235,1034 0.288,1035 0.661,1036 0.835,1037 0.905,1038 0.905,1039 0.905,1040 4.687,1041 0.899,1042 5.617,1043 2.812,1044 4.205,1045 4.766,1046 2.441,1047 6.506,1048 4.122,1049 5.924,1050 0.701,1051 7.222,1052 1.861,1053 3.892,1054 4.783,1055 1.784,1056 7.564,1057 3.774,1058 7.269,1059 0.385,1060 8.93,1061 1.534,1062 5.861,1063 7.081,1064 3.546,1065 10.736,1066 5.705,1067 8.658,1068 -0.171,1069 10.699,1070 0.579,1071 6.399,1072 7.952,1073 3.59,1074 12.669,1075 6.214,1076 10.081,1077 -0.348,1078 12.509,1079 -0.382,1080 7.856,1081 9.764,1082 4.918,1083 15.385,1084 7.642,1085 11.531,1086 -0.668,1087 14.347,1088 -0.624,1089 8.779,1090 11.025,1091 5.289,1092 17.678,1093 8.54,1094 13.003,1095 -0.895,1096 16.208,1097 -1.669,1098 10.061,1099 12.667,1100 6.39,1101 20.253,1102 9.797,1103 3.399,1104 -1.117,1105 18.087,1106 -2.369,1107 11.155,1108 14.102,1109 6.93,1110 22.686,1111 10.865,1112 2.683,1113 12.389,1114 19.981,1115 -2.89,1116 12.383,1117 15.686,1118 7.902,1119 25.219,1120 12.069,1121 2.427,1122 8.762,1123 21.887,1124 4.757,1125 13.549,1126 17.193,1127 8.539,1128 27.704,1129 13.208,1130 2.104,1131 7.277,1132 23.803,1133 3.541,1134 14.765,1135 18.758,1136 9.436,1137 30.224,1138 14.399,1139 1.971,1140 6.79,1141 25.727,1142 3.086,1143 15.961,1144 20.296,1145 10.13,1146 32.729,1147 15.568,1148 1.552,1149 5.315,1150 27.658,1151 2.799,1152 17.176,1153 21.855,1154 10.981,1155 35.246,1156 16.756,1157 1.156,1158 4.625,1159 29.594,1160 2.618,1161 18.386,1162 23.405,1163 11.71,1164 37.758,1165 17.938,1166 3950,1167 6431,1168 15.027,1169 26.017,1170 34.499,1171 36.026,1172 37.112,1173 34.545,1174 34.556,1175 45.068,1176 7.077,1177 103.888,1178 33.12,1179 5.652,1180 5.663,1181 6.893,1182 5.426,1183 5.399,1184 7.757,1185 3.889,1186 19.918,1187 5.301,1188 11.381,1189 1.5,1190 1.566,1191 1.614,1192 1.502,1193 1.502,1194 1.959,1195 0.308,1196 4.517,1197 1.44,1198 4.186,1199 4.216,1200 4.155,1201 4.1,1202 7.435,1203 4.11,1204 3.713,1205 3.753,1206 3.645,1207 3.586,1208 4.963,1209 3.59,1210 3.552,1211 3.615,1212 3.46,1213 3.288,1214 4.628,1215 3.305,1216 3.418,1217 3.499,1218 3.246,1219 3.203,1220 4.385,1221 3.215,1222 3.316,1223 3.406,1224 3.145,1225 3.096,1226 4.154,1227 3.099,1228 2.98,1229 3.031,1230 2.806,1231 2.824,1232 3.955,1233 2.811,1234 2.923,1235 2.981,1236 2.76,1237 2.689,1238 3.828,1239 2.697,1240 2.745,1241 2.852,1242 2.538,1243 2.517,1244 3.695,1245 2.502,1246 0.209,1247 0.159,1248 0.31,1249 0.19,1250 0.148,1251 4.804,1252 0.207,1253 3.663,1254 0.095,1255 7.127,1256 0.539,1257 4.369,1258 0.144,1259 3.399,1260 4.757,1261 2.186,1262 12.389,1263 3.301,1264 1.938,1265 1.919,1266 2.021,1267 2.039,1268 1.224,1269 2.033,1270 1.665,1271 1.613,1272 1.859,1273 1.852,1274 1.041,1275 1.851,1276 1.554,1277 1.494,1278 1.764,1279 1.75,1280 0.99,1281 1.755,1282 1.418,1283 1.35,1284 1.7,1285 1.729,1286 0.86,1287 1.721,1288 1.369,1289 1.286,1290 1.674,1291 1.585,1292 0.681,1293 1.624,1294 1.129,1295 1.061,1296 1.395,1297 1.329,1298 0.533,1299 1.353,1300 0.88,1301 0.831,1302 1.106,1303 1.206,1304 0.164,1305 1.18,1306 0.757,1307 0.688,1308 1.043,1309 0.972,1310 0.121,1311 1.01,1312 3.85,1314 5.187,1315 3.045,1316 6.725,1317 5.533,1318 8.364,1319 7.743,1320 10.067,1322 5.675,1328 2.791,1329 2.457,1330 5.225,1340 24.708,1341 61.412,1342 140.764,1343 177.858,1344 192.612,1345 192.612,1346 192.612,1347 27.021,1348 7.037,1349 55.62,1350 55.62,1351 16,1352 12.593,1353 3.7,1354 3,1355 32.129,1356 63,1357 70,1358 0.266,1359 152.879,1360 261.22,1361 364.784,1362 8941,1364 14.983,1365 0.713,1366 0.598,1367 14.983,1368 12.564,1369 10.151,1370 0.441,1371 0.313,1372 7.084,1373 9.7,1374 6.832,1375 5.699,1376 10.151,1377 7.199,1378 8.982,1379 0.272,1380 0.155,1381 8.982,1382 5.126,1383 7.898,1384 0.168,1385 0.084,1386 7.898,1387 3.925,1388 6.867,1389 0.102,1390 0.046,1391 6.867,1392 3.049,1393 5.466,1394 0.065,1395 0.025,1396 5.466,1397 2.062,1398 0.402,1399 63.936,1400 0.258,1401 20.455,1402 0.77,1403 112,1404 325.094,1405 124.276,1406 309.856,1407 431.92,1408 292,1409 136,1410 327.599,1411 147.505,1412 328.629,1413 487.7,1414 310,1415 5.246}
{0 CHEMBL350496,1 1.633,2 6.235,3 3.767,4 14.187,5 74.667,6 8.827,7 0.316,8 3.508,9 3.617,10 3.241,11 3.176,12 4.489,13 3.113,14 4.084,15 4.252,16 3.671,17 3.601,18 5.042,19 3.51,20 4.418,21 4.637,22 3.86,23 3.835,24 5.331,25 3.701,26 4.395,27 4.62,28 3.75,29 3.756,30 5.354,31 3.566,32 4.128,33 4.355,34 3.428,35 3.544,36 5.028,37 3.321,38 3.811,39 3.996,40 3.273,41 3.26,42 4.77,43 3.025,44 3.676,45 3.936,46 2.589,47 2.904,48 4.409,49 2.656,50 3.345,51 3.649,52 2.177,53 2.39,54 4.085,55 2.054,56 0.006,57 0.415,58 4.758,59 2.574,60 2.284,61 3.456,62 0.082,63 0.754,64 11.34,65 4.871,66 8.811,67 6.479,68 0.156,69 1.026,70 21.746,71 7.731,72 18.216,73 9.685,74 0.224,75 1.04,76 24.489,77 8.166,78 26.945,79 9.545,80 0.135,81 0.784,82 21.91,83 7.427,84 19.327,85 8.211,86 0.1,87 0.508,88 17.615,89 5.443,90 16.197,91 6.233,92 0.065,93 0.394,94 12.373,95 4.228,96 10.338,97 5.67,98 0.099,99 0.242,100 13.754,101 3.434,102 11.761,103 4.318,104 5,105 27,106 0.314,107 0.638,108 0.787,109 0.878,110 0.878,111 0.878,112 2.911,113 1.063,114 -4.78,115 -4.69,116 -4.41,121 43.3,123 4,127 1,144 3,145 1,146 2,160 2,176 5,179 1,180 6,187 7,192 5,200 3,206 6,214 4,227 5,232 1,239 7,251 3,264 2,281 203,282 11.569,283 11.569,284 11.569,285 11.569,286 11.569,287 10.542,288 14.744,289 6.82,290 11.91,291 9.383,292 9.383,293 9.383,294 9.383,295 9.383,296 7.707,297 17.812,298 3.254,299 10.035,300 3.274,301 1.583,302 0.809,303 0.333,304 0.333,305 0.333,306 3.59,308 1,310 1,311 1,312 1,313 231,314 1.732,318 51.99,319 33.771,322 44.29,323 49.93,325 0.983,326 11.388,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 35.333,338 106,339 4.517,340 3.965,341 6.772,342 4.149,343 3.21,344 4.113,345 1.519,346 11.055,347 3.016,348 3.901,349 3.117,350 6.002,351 3.542,352 2.603,353 3.25,354 1.094,355 8.469,356 2.439,357 3.577,358 2.975,359 5.336,360 3.107,361 2.193,362 2.841,363 0.232,364 6.556,365 1.969,366 3.291,367 2.47,368 4.891,369 2.857,370 1.959,371 2.482,373 5.533,374 1.705,375 2.684,376 1.851,377 4.14,378 2.588,379 1.602,380 1.712,382 3.495,383 1.563,384 2.643,385 1.624,386 3.775,387 2.329,388 1.347,389 1.642,391 3.351,392 1.321,393 2.272,394 1.437,395 3.568,396 1.898,397 0.965,398 1.185,400 2.278,401 0.878,402 1.606,403 0.74,404 2.964,405 1.095,406 0.177,407 0.226,409 0.442,410 0.159,411 1.196,412 0.439,413 2.663,414 0.851,415 -0.082,416 -0.094,418 -0.202,419 -0.068,420 0.824,421 0.091,422 2.356,423 0.564,424 -0.35,425 -0.402,427 -0.791,428 -0.294,429 0.718,430 -0.178,431 2.334,432 0.387,433 -0.49,434 -0.557,436 -1.275,437 -0.408,438 0.318,439 -0.646,440 1.894,441 -0.058,442 -1.033,443 -1.393,445 -2.893,446 -0.925,447 0.058,448 -0.746,449 1.796,450 -0.456,451 -1.217,452 -1.535,454 -3.081,455 -1.009,456 -0.157,457 -1.052,458 1.346,459 -0.533,460 -1.417,461 -1.757,463 -3.793,464 -1.246,465 -0.431,466 -1.467,467 1.318,468 -0.801,469 -1.708,470 -1.814,472 -4.422,473 -1.614,474 8.848,475 0.52,476 0.418,477 0.025,478 20.5,479 1.206,480 9.5,481 0.559,482 11,483 0.647,484 14.128,485 0.831,486 17.552,487 0.585,488 11.275,489 0.663,490 3.533,491 0.208,492 4.721,493 0.278,494 0.175,496 0.328,501 0.657,502 1.194,503 0.517,504 0.764,505 0.505,506 0.832,507 0.706,508 1.136,509 0.571,510 0.803,511 0.469,512 0.876,513 1.055,514 0.904,515 0.74,516 0.703,517 0.803,518 0.761,519 1.034,520 1.057,521 1.006,522 1.067,523 0.981,524 1.023,525 0.943,526 0.921,527 1.215,528 1.206,529 1.33,530 1.007,531 0.523,532 1.298,533 1.16,534 1.498,535 1.036,536 1.413,537 0.9,538 0.944,539 0.997,540 0.994,541 0.987,542 1.2,543 1.796,544 0.66,545 1.639,546 0.976,547 1.694,548 1.053,549 3,551 2,552 1.5,553 1.249,554 0.493,555 0.19,556 0.077,557 0.031,559 2162,560 6015,561 2.127,562 43.3,563 4,564 5,568 2,569 2,572 1.576,573 2,574 2.693,575 -0.75,577 1,579 1,582 48.995,583 1.633,584 3.324,585 4.098,586 4.574,587 4.574,588 4.574,589 2.184,590 3.146,591 4.064,592 2.736,593 372.13,594 6.899,595 3221.74,596 1,597 1,598 1,599 1,600 147.207,601 1.379,602 4.023,603 0.158,605 0.074,606 0.048,607 0.054,608 0.029,609 0.017,610 0.013,611 0.016,613 0.409,614 0.83,615 1,616 0.604,617 67.834,618 0.008,619 -0.177,620 0.017,621 -0.04,622 0.039,623 -0.006,624 0.114,625 -0.117,626 0.065,627 -0.026,628 0.17,629 -0.011,630 -0.081,631 0.107,632 0.081,633 0.18,634 0.047,635 0.166,636 -0.049,637 0.01,638 -0.047,639 -0.038,640 0.042,641 -0.073,642 -0.141,643 0.124,644 -0.116,645 -0.011,646 -0.24,647 0.014,648 0.219,649 -0.382,650 -0.062,651 -0.39,652 -0.013,653 -0.4,654 -0.006,655 -0.186,656 -0.048,657 -0.126,658 -0.118,659 -0.169,660 -0.143,661 0.027,662 -0.086,663 0.038,664 -0.196,665 0.072,666 0.946,667 1.897,668 0.882,669 8.401,670 0.997,671 1.112,672 3.552,673 12.617,674 0.736,675 2.996,676 3.332,677 3.638,678 3.932,679 4.205,680 4.344,681 4.331,682 4.419,683 4.419,684 4.277,685 3.851,686 0.674,687 264.8,688 2.996,689 4.533,690 5.398,691 6.29,692 7.175,693 8.076,694 8.968,695 9.872,696 10.768,697 11.672,698 6.7,705 1,707 1,715 3,720 3,722 6,740 1,741 30,743 8,744 1,745 19,747 32,748 13,749 6,750 3,751 3,752 2,756 3,757 6,758 1,767 4,770 4,772 8,773 5,777 2,783 1,785 1,786 2,790 1,793 13,794 2,796 4,797 2,802 2,804 1,808 0.333,829 2,830 1,833 1,834 1,859 1,862 1,865 1,868 17,876 5,881 1,892 1,901 8.5,902 5.46,903 3.694,904 2.072,907 1.8,908 1.271,909 1.009,910 2.989,911 8.439,912 3.219,913 3.773,914 4.334,915 4.889,916 5.42,917 5.714,918 5.92,919 6.185,920 6.383,921 6.324,922 1,923 31,924 6.282,926 2.685,927 0.026,929 7.536,931 12.377,933 10.544,936 2.036,937 34.611,938 0.004,941 153.024,942 98.349,943 19.91,944 39.149,947 45.192,948 53.157,949 192.173,950 19.91,952 15.368,953 28.429,954 3.041,955 26.228,957 153.024,958 84.341,959 153.024,960 73.067,962 84.341,964 129.482,965 23.542,968 32.154,969 40.913,970 39.149,971 45.192,972 153.024,973 19.91,974 137.497,977 153.024,978 24.728,979 31.553,981 101.126,982 153.024,983 19.91,984 137.497,986 0.584,987 0.348,988 0.197,989 0.114,990 15,991 6,994 2,995 1.267,996 2.882,997 126.792,998 0.267,999 15,1000 69.487,1002 1,1005 11.331,1006 4.485,1007 2.032,1009 19.91,1010 5.759,1015 2.684,1018 310.432,1019 24,1025 5.564,1027 4.709,1028 2.019,1031 29.905,1032 33.352,1034 0.333,1035 0.677,1036 0.835,1037 0.932,1038 0.932,1039 0.932,1040 4.472,1041 0.177,1042 5.389,1043 2.278,1044 4.007,1045 4.454,1046 2.003,1047 6.229,1048 3.875,1049 5.664,1050 -0.082,1051 6.963,1052 0.442,1053 3.611,1054 4.27,1055 1.048,1056 7.177,1057 3.326,1058 6.974,1059 -0.35,1060 8.642,1061 -0.202,1062 5.617,1063 6.58,1064 2.395,1065 10.323,1066 5.363,1067 8.318,1068 -0.49,1069 10.382,1070 -0.791,1071 6.043,1072 7.2,1073 1.965,1074 12.104,1075 5.65,1076 9.696,1077 -1.033,1078 12.162,1079 -1.275,1080 7.526,1081 9.007,1082 2.942,1083 14.776,1084 7.148,1085 11.098,1086 -1.217,1087 13.97,1088 -2.893,1089 8.35,1090 10.011,1091 2.84,1092 16.903,1093 7.861,1094 12.519,1095 -1.417,1096 15.797,1097 -3.081,1098 9.625,1099 11.609,1100 3.597,1101 19.408,1102 9.122,1103 3.21,1104 -1.708,1105 17.64,1106 -3.793,1107 10.636,1108 12.807,1109 3.703,1110 21.685,1111 10.044,1112 2.603,1113 11.055,1114 19.494,1115 -4.422,1116 11.833,1117 14.309,1118 4.326,1119 24.127,1120 11.205,1121 2.193,1122 8.469,1123 21.358,1124 4.113,1125 12.927,1126 15.609,1127 4.559,1128 26.471,1129 12.224,1130 1.959,1131 6.556,1132 23.229,1133 3.25,1134 14.097,1135 17.065,1136 5.101,1137 28.888,1138 13.345,1139 1.602,1140 5.533,1141 25.106,1142 2.841,1143 15.229,1144 18.419,1145 5.41,1146 31.262,1147 14.408,1148 1.347,1149 3.495,1150 26.988,1151 2.482,1152 16.391,1153 19.853,1154 5.902,1155 33.67,1156 15.515,1157 0.965,1158 3.351,1159 28.875,1160 1.712,1161 17.54,1162 21.234,1163 6.256,1164 36.059,1165 16.599,1166 2124,1167 3649,1168 12.83,1169 22.085,1170 28.771,1171 30.093,1172 29.42,1173 28.309,1174 28.114,1175 34.903,1176 5.69,1177 82.36,1178 26.1,1179 5.463,1180 5.965,1181 6.524,1182 5.222,1183 5.21,1184 7.113,1185 2.707,1186 18.595,1187 5.016,1188 6.506,1189 1.514,1190 1.584,1191 1.548,1192 1.49,1193 1.48,1194 1.837,1195 0.299,1196 4.335,1197 1.374,1198 4.013,1199 4.045,1200 4.125,1201 3.946,1202 5.025,1203 3.936,1204 3.745,1205 3.795,1206 3.828,1207 3.639,1208 4.757,1209 3.626,1210 3.327,1211 3.376,1212 3.577,1213 3.289,1214 4.441,1215 3.218,1216 3.293,1217 3.37,1218 3.265,1219 3.142,1220 4.152,1221 3.127,1222 2.957,1223 2.996,1224 3.058,1225 2.863,1226 3.968,1227 2.834,1228 2.757,1229 2.825,1230 2.952,1231 2.632,1232 3.615,1233 2.61,1234 2.535,1235 2.567,1236 2.637,1237 2.544,1238 3.481,1239 2.444,1240 2.219,1241 2.325,1242 2.16,1243 1.977,1244 3.077,1245 1.946,1246 0.238,1247 0.209,1248 0.356,1249 0.218,1250 0.169,1251 4.517,1252 0.216,1253 3.965,1254 0.08,1255 6.772,1256 0.582,1257 4.149,1258 0.159,1259 3.21,1260 4.113,1261 1.519,1262 11.055,1263 3.016,1264 1.942,1265 1.922,1266 1.989,1267 2.031,1268 1.323,1269 2.031,1270 1.707,1271 1.644,1272 1.964,1273 1.87,1274 1.174,1275 1.907,1276 1.552,1277 1.499,1278 1.739,1279 1.716,1280 0.995,1281 1.732,1282 1.066,1283 1.057,1284 1.205,1285 1.158,1286 0.443,1287 1.194,1288 0.936,1289 0.87,1290 1.145,1291 1.129,1292 0.32,1293 1.165,1294 0.744,1295 0.653,1296 1.089,1297 0.983,1298 0.19,1299 1.037,1300 0.466,1301 0.394,1302 0.843,1303 0.714,1304 0.047,1305 0.772,1306 0.385,1307 0.348,1308 0.647,1309 0.498,1311 0.563,1312 3.664,1314 4.99,1316 6.524,1317 2.708,1318 8.165,1319 5.094,1320 9.867,1323 6.006,1328 5.678,1333 2.193,1340 20.218,1341 48.995,1342 99.723,1343 122.942,1344 137.207,1345 137.207,1346 137.207,1347 19.583,1348 6.639,1349 17.82,1350 49.91,1351 19,1352 12.193,1353 3.17,1354 2.585,1355 23.541,1356 43,1357 34,1358 0.313,1359 131.706,1360 228,1361 313.123,1362 5788,1363 3.3,1364 11.828,1365 0.696,1366 0.648,1367 12.828,1368 11.021,1369 8.254,1370 0.434,1371 0.354,1372 5.971,1373 7.556,1374 5.789,1375 4.75,1376 8.831,1377 6.732,1378 7.499,1379 0.278,1380 0.196,1381 8.241,1382 5.28,1383 6.477,1384 0.175,1385 0.107,1386 7.168,1387 3.954,1388 5.59,1389 0.112,1390 0.059,1391 6.263,1392 2.927,1393 4.628,1394 0.07,1395 0.032,1396 5.133,1397 2.113,1398 0.456,1399 56.532,1400 0.279,1401 16.499,1402 0.97,1403 92,1404 230.354,1405 125.744,1406 281.097,1407 376.94,1408 262,1409 110,1410 247.572,1411 136.946,1412 269.057,1413 399.54,1414 255,1415 4}
{0 CHEMBL350916,1 1.373,2 5.467,3 2.325,4 5.405,5 57.227,6 7.112,7 0.375,8 3.46,9 3.554,10 2.988,11 2.976,12 4.563,13 2.958,14 4.017,15 4.182,16 3.329,17 3.351,18 5.01,19 3.325,20 4.142,21 4.285,22 3.475,23 3.459,24 5.305,25 3.429,26 4.246,27 4.412,28 3.372,29 3.404,30 5.445,31 3.358,32 4.17,33 4.351,34 3.056,35 3.245,36 5.299,37 3.156,38 4.063,39 4.307,40 2.356,41 3.009,42 4.998,43 2.799,44 3.805,45 4.157,46 1.412,47 2.504,48 4.466,49 2.169,50 3.119,51 3.541,52 0.49,53 1.774,54 3.434,55 1.343,56 0.015,57 0.363,58 6.239,59 3.04,60 4.519,61 3.719,62 0.181,63 0.581,64 12.376,65 4.863,66 17.489,67 6.093,68 0.196,69 0.668,70 13.653,71 5.589,72 17.434,73 7.047,74 0.308,75 0.692,76 16.006,77 5.756,78 41.66,79 7.283,80 0.375,81 0.62,82 15.288,83 5.168,84 37.299,85 6.577,86 0.262,87 0.549,88 14.075,89 4.713,90 34.493,91 6.44,92 0.227,93 0.393,94 11.726,95 3.506,96 29.6,97 5.355,98 0.076,99 0.195,100 5.89,101 1.816,102 9.976,103 3.036,104 21,105 23,106 0.27,107 0.596,108 0.763,109 0.79,110 0.804,111 0.845,112 2.798,113 0.931,114 -3.34,115 -3.33,116 -3.19,121 41.4,122 1,123 1,124 1,126 2,144 2,145 2,146 2,159 1,176 6,180 4,187 7,191 1,192 7,200 5,205 1,206 5,214 2,218 1,219 4,227 1,232 1,281 191,282 10.085,283 10.085,284 10.085,285 10.085,286 10.085,287 9.266,288 14.156,289 5.669,290 10.398,291 7.711,292 7.711,293 7.711,294 7.711,295 7.711,296 6.243,297 16.241,298 2.443,299 8.004,300 3.485,301 1.828,302 0.975,303 0.837,304 0.768,305 0.561,306 3.435,311 1,312 1,313 167,314 2.236,317 27.548,318 33.535,321 51.563,325 0.764,326 16.657,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 33,338 82,339 4.606,340 3.817,341 6.958,342 4.281,343 3.286,344 4.272,345 1.277,346 11.726,347 3.274,348 3.876,349 3.164,350 5.997,351 3.575,352 2.612,353 3.194,354 0.86,355 8.365,356 2.504,357 3.343,358 2.556,359 5.317,360 2.986,361 1.982,362 2.588,363 0.86,364 6.128,365 1.982,366 3.036,367 2.222,368 4.89,369 2.747,370 1.79,371 2.16,373 5.202,374 1.711,375 2.441,376 1.807,377 4.105,378 2.168,379 1.202,380 1.364,382 3.029,383 1.144,384 1.944,385 1.193,386 3.187,387 1.638,388 0.729,389 0.859,391 1.377,392 0.655,393 1.518,394 1.083,395 2.693,396 1.211,397 0.327,398 0.366,400 0.456,401 0.283,402 1.108,403 0.472,404 2.407,405 0.803,406 -0.196,407 -0.235,409 -0.39,410 -0.193,411 0.747,412 0.04,413 2.366,414 0.367,415 -0.579,416 -0.706,418 -1.167,419 -0.535,420 0.39,421 -0.631,422 2.181,423 0.157,424 -0.816,425 -0.96,427 -2.041,428 -0.791,429 -0.025,430 -0.748,431 1.745,432 -0.292,433 -1.328,434 -1.593,436 -3.514,437 -1.32,438 -0.402,439 -1.184,440 1.266,441 -0.64,442 -1.568,443 -1.815,445 -4.387,446 -1.474,447 -0.5,448 -1.26,449 1.129,450 -0.776,451 -1.713,452 -1.955,454 -4.905,455 -1.517,456 -0.592,457 -1.596,458 0.802,459 -0.863,460 -1.789,461 -2.212,462 -0.86,463 -5.66,464 -1.805,465 -0.659,466 -1.735,467 0.505,468 -0.962,469 -1.94,470 -2.329,471 -0.86,472 -6.836,473 -1.918,474 7,475 0.467,476 0.401,477 0.027,478 17.75,479 1.183,480 8.5,481 0.567,482 9.25,483 0.617,484 10.965,485 0.731,486 17,487 0.586,488 11.2,489 0.747,490 3.557,491 0.237,492 3.628,493 0.242,494 0.262,496 0.429,501 0.74,502 1.262,503 0.791,504 1.231,505 0.578,506 1.055,507 1.136,508 0.753,509 0.792,510 0.73,511 0.741,512 0.695,513 0.858,514 1.196,515 0.861,516 1.171,517 1.022,518 1.041,519 1.214,520 1.177,521 1.084,522 1.161,523 1.504,524 1.105,525 1.418,526 1.141,527 1.356,528 1.153,529 1.053,530 1.227,531 1.208,532 1.185,533 1.444,534 1.221,535 1.352,536 1.358,537 0.78,538 0.647,539 0.92,540 0.677,541 0.99,542 0.805,543 0.032,544 0.496,545 0.405,546 0.516,547 0.083,548 0.537,549 3,551 2.222,552 1.792,553 1.124,554 0.594,555 0.096,559 1281,560 3549,561 1.955,562 48.3,563 5,564 8,568 1,572 1.542,573 1.765,574 2.487,575 -0.781,577 1,579 1,582 39.804,583 1.373,584 3.03,585 3.883,586 4.021,587 4.09,588 4.297,589 1.832,590 3.323,591 3.879,592 2.511,593 263.706,594 6.551,595 2148.67,597 1,600 140.881,601 1.566,602 3.796,603 0.188,605 0.097,606 0.072,607 0.054,608 0.042,609 0.019,613 0.471,614 1,615 1,616 1.157,617 56.385,618 -0.01,619 -0.115,620 0.058,621 -0.097,622 -0.021,623 -0.019,624 -0.131,625 0.289,626 0.156,627 0.3,628 -0.048,629 0.291,630 0.106,631 -0.141,632 0.064,633 -0.129,634 0.027,635 -0.055,636 -0.016,637 -0.184,638 -0.102,639 -0.184,640 -0.063,641 -0.165,642 -0.124,643 -0.178,644 -0.355,645 -0.208,646 -0.035,647 -0.311,648 -0.217,649 -0.272,650 -0.47,651 -0.305,652 -0.213,653 -0.421,654 -0.034,655 0.165,656 0.087,657 0.168,658 -0.058,659 0.155,660 0.249,661 0.276,662 0.567,663 0.321,664 0.214,665 0.482,666 1.513,667 4.909,668 0.6,669 6.978,670 1.006,671 1.122,672 2.115,673 4.473,674 0.645,675 2.833,676 3.178,677 3.526,678 3.807,679 3.951,680 3.892,681 3.85,682 3.761,683 3.219,684 2.303,685 3.448,686 0.615,687 206.26,688 2.833,689 4.369,690 5.252,691 6.159,692 7.064,693 7.976,694 8.885,695 9.798,696 10.708,697 11.621,715 2,720 4,722 6,727 1,739 2,741 29,743 7,744 1,745 16,747 30,748 12,749 6,750 4,751 2,752 1,756 2,757 3,763 1,767 1,768 1,770 1,772 7,773 5,774 1,777 1,782 1,786 1,790 1,793 14,794 3,796 3,808 0.5,809 3,828 1,829 1,832 1,859 1,864 3,868 15,876 1,878 2,880 1,893 10.3,896 1,898 2,901 8.5,902 6.25,903 3.472,904 1.694,907 1.403,908 1.239,909 0.921,910 2.592,911 7.275,912 3.045,913 3.624,914 4.245,915 4.786,916 5.246,917 5.368,918 5.532,919 5.598,920 5.202,921 4.202,922 0.75,923 25,924 5.55,925 -0.001,926 2.317,927 0.026,929 7.844,931 10.538,933 8.495,936 2.344,937 35.167,938 0.004,941 164.795,942 74.07,945 47.145,948 74.07,949 211.94,951 30.591,952 2.535,953 18.952,954 30.278,955 38.858,957 164.795,959 164.795,960 74.07,961 47.145,964 164.795,965 47.145,968 11.36,969 62.71,972 164.795,973 47.145,974 74.07,977 164.795,978 24.526,979 49.544,981 47.145,982 164.795,983 47.145,984 74.07,986 0.58,987 0.384,988 0.218,989 0.114,990 12,991 6,992 0.067,993 2,994 1,995 1.222,996 2.562,997 101.52,998 0.222,999 9,1000 58.603,1005 10.34,1006 3.761,1007 1.482,1009 47.145,1010 3.793,1015 2.956,1018 286.01,1019 20,1024 11.909,1028 0.153,1031 29.167,1032 32.535,1034 0.283,1035 0.624,1036 0.799,1037 0.828,1038 0.842,1039 0.885,1040 4.297,1041 -0.196,1042 5.273,1043 0.456,1044 3.85,1045 4.304,1046 1.977,1047 6.172,1048 3.801,1049 5.514,1050 -0.579,1051 6.897,1052 -0.39,1053 3.611,1054 4.29,1056 7.273,1057 3.578,1058 6.851,1059 -0.816,1060 8.622,1061 -1.167,1062 5.525,1063 6.517,1064 2.142,1065 10.414,1066 5.459,1067 8.229,1068 -1.328,1069 10.404,1070 -2.041,1071 6.111,1072 7.314,1074 12.336,1075 6.055,1076 9.642,1077 -1.568,1078 12.221,1079 -3.514,1080 7.534,1081 9.067,1082 2.426,1083 15.02,1084 7.464,1085 11.079,1086 -1.713,1087 14.063,1088 -4.387,1089 8.474,1090 10.217,1092 17.269,1093 8.409,1094 12.534,1095 -1.789,1096 15.923,1097 -4.905,1098 9.729,1099 11.796,1100 2.796,1101 19.805,1102 9.66,1103 3.286,1104 -1.94,1105 17.798,1106 -5.66,1107 10.815,1108 13.105,1110 22.182,1111 10.748,1112 2.612,1113 11.726,1114 19.683,1115 -6.836,1116 12.016,1117 14.613,1118 3.22,1119 24.668,1120 11.948,1121 1.982,1122 8.365,1123 21.578,1124 4.272,1125 13.16,1126 15.996,1128 27.096,1129 13.093,1130 1.79,1131 6.128,1132 23.481,1133 3.194,1134 14.347,1135 17.473,1136 3.675,1137 29.565,1138 14.279,1139 1.202,1140 5.202,1141 25.389,1142 2.588,1143 15.515,1144 18.891,1146 32.013,1147 15.447,1148 0.729,1149 3.029,1150 27.303,1151 2.16,1152 16.699,1153 20.355,1154 4.146,1155 34.477,1156 16.63,1157 0.327,1158 1.377,1159 29.221,1160 1.364,1161 17.878,1162 21.79,1164 36.932,1165 17.808,1166 1400,1167 2385,1168 10.057,1169 18.693,1170 24.029,1171 25.428,1172 26.41,1173 23.739,1174 23.858,1175 29.61,1176 5.995,1177 72.568,1178 23.105,1179 5.438,1180 5.817,1181 6.507,1182 5.281,1183 5.286,1184 7.272,1185 2.555,1186 19.109,1187 5.274,1188 8.476,1189 1.502,1190 1.589,1191 1.651,1192 1.484,1193 1.491,1194 1.851,1195 0.375,1196 4.536,1197 1.444,1198 4.039,1199 4.052,1200 3.997,1201 3.965,1202 7.426,1203 3.97,1204 3.568,1205 3.602,1206 3.469,1207 3.418,1208 4.908,1209 3.421,1210 3.253,1211 3.317,1212 3.082,1213 2.995,1214 4.492,1215 3.005,1216 3.209,1217 3.285,1218 3.002,1219 2.934,1220 4.334,1221 2.936,1222 2.96,1223 3.021,1224 2.794,1225 2.751,1226 3.97,1227 2.744,1228 2.855,1229 2.931,1230 2.607,1231 2.672,1232 3.483,1233 2.644,1234 2.504,1235 2.549,1236 2.346,1237 2.25,1238 3.372,1239 2.269,1240 2.311,1241 2.383,1242 2.077,1243 2.121,1244 2.959,1245 2.103,1246 0.288,1247 0.239,1248 0.435,1249 0.268,1250 0.205,1251 4.606,1252 0.267,1253 3.817,1254 0.08,1255 6.958,1256 0.733,1257 4.281,1258 0.205,1259 3.286,1260 4.272,1261 1.277,1262 11.726,1263 3.274,1264 1.881,1265 1.872,1266 1.964,1267 1.978,1268 1.208,1269 1.969,1270 1.644,1271 1.6,1272 1.863,1273 1.809,1274 1.068,1275 1.83,1276 1.219,1277 1.163,1278 1.575,1279 1.525,1280 0.59,1281 1.54,1282 1.19,1283 1.114,1284 1.569,1285 1.508,1286 0.574,1287 1.528,1288 0.958,1289 0.906,1290 1.311,1291 1.178,1292 0.462,1293 1.222,1294 0.896,1295 0.798,1296 1.14,1297 1.153,1298 0.217,1299 1.156,1300 0.563,1301 0.503,1302 0.807,1303 0.786,1305 0.796,1306 0.076,1307 0.014,1308 0.524,1309 0.418,1311 0.44,1312 3.497,1314 4.828,1315 2.398,1316 6.382,1317 4.844,1318 8.037,1319 7.018,1320 9.746,1322 5.079,1328 0.8,1330 10.42,1332 0.056,1340 17.832,1341 39.804,1342 87.862,1343 112.617,1344 116.617,1345 118.617,1346 124.617,1347 24.706,1348 5.872,1349 35.53,1350 35.53,1351 11,1352 12.135,1353 3,1354 2.322,1355 23.286,1356 31,1357 30,1358 0.414,1359 111.371,1360 196.35,1361 263.505,1362 1878,1364 11,1365 0.733,1366 0.611,1367 11,1368 9.164,1369 7.185,1370 0.449,1371 0.31,1372 4.87,1373 6.82,1374 4.638,1375 3.899,1376 7.185,1377 4.967,1378 6.227,1379 0.271,1380 0.165,1381 6.227,1382 3.805,1383 5.727,1384 0.174,1385 0.086,1386 5.727,1387 2.852,1388 4.777,1389 0.109,1390 0.047,1391 4.777,1392 2.077,1393 3.701,1394 0.073,1395 0.027,1396 3.701,1397 1.373,1398 0.586,1399 45.918,1400 0.315,1401 14.489,1402 1.343,1403 78,1404 257.207,1405 85.861,1406 236.393,1407 317.02,1408 222,1409 95,1410 222.727,1411 103.748,1412 227.011,1413 333.08,1414 210,1415 6.42}
{0 CHEMBL352215,1 1.287,2 3.5,3 2.522,4 6.359,5 31.316,6 7.343,7 0.75,8 2.776,9 2.89,10 2.32,11 2.396,12 3.972,13 2.35,14 3.216,15 3.393,16 2.573,17 2.657,18 4.411,19 2.595,20 3.351,21 3.555,22 2.498,23 2.582,24 4.667,25 2.507,26 3.26,27 3.546,28 1.666,29 2.106,30 4.492,31 1.947,32 2.513,33 2.885,34 0.418,35 1.297,36 3.178,37 0.997,38 1.298,39 1.682,40 0.021,41 0.361,42 1.386,43 0.189,56 0.003,57 0.249,58 2.869,59 1.566,60 2.21,61 1.899,62 0.016,63 0.378,64 5.051,65 2.419,66 6.148,67 2.991,68 0.046,69 0.45,70 6.306,71 2.679,72 12.099,73 3.139,74 0.161,75 0.373,76 6.936,77 2.272,78 33.185,79 2.476,80 0.055,81 0.109,82 3.278,83 1.048,84 11.358,85 1.502,86 0.011,87 0.017,88 0.834,89 0.243,90 2.37,91 0.409,104 5,105 10,106 0.309,107 0.605,108 0.701,109 0.829,110 0.861,111 0.861,112 2.265,113 0.944,114 -4.28,115 -4.21,116 -3.98,121 46.7,122 1,144 4,145 1,146 1,176 5,187 5,200 4,214 1,281 24,282 5.19,283 5.19,284 5.19,285 5.19,286 5.19,287 4.334,288 2.702,289 3.174,290 5.241,291 3.917,292 3.917,293 3.917,294 3.917,295 3.917,296 2.785,297 1.369,298 1.493,299 4.029,300 2.62,301 1.384,302 0.984,303 0.45,304 0.317,305 0.317,306 2.805,312 1,313 54,314 1,318 22.133,325 0.5,326 8.637,329 1,330 0.5,331 0.83,332 0.5,334 1,335 1,336 0.69,337 17.5,338 28,339 4.12,340 3.127,341 5.878,342 3.698,343 2.732,344 3.743,346 7.95,347 2.631,348 2.879,349 1.866,350 4,351 2.414,352 1.414,353 2.051,355 3.464,356 1.414,357 2.813,358 1.483,359 3.583,360 2.369,361 1.414,362 1.936,364 2.938,365 1.335,366 1.258,367 0.495,368 2,369 0.931,375 0.673,376 -0.377,377 2,378 0.231,379 -0.732,380 -0.959,382 -1.645,383 -0.695,384 -0.071,385 -1.138,386 1.23,387 -0.414,388 -1.414,389 -1.835,391 -3.451,392 -1.271,393 -0.172,394 -1.266,395 1,396 -0.53,397 -1.414,398 -1.936,400 -3.464,401 -1.414,402 -0.5,403 -2,404 0.309,405 -1,406 -2,407 -3,409 -5.792,410 -2,474 3.786,475 0.473,476 0.195,477 0.024,478 10.25,479 1.281,480 6,481 0.75,482 4.25,483 0.531,484 3.612,485 0.451,486 8.814,487 0.588,488 4.862,489 0.608,490 2.26,491 0.282,492 1.545,493 0.193,494 0.208,496 0.264,499 1,501 0.467,502 0.839,503 0.735,504 0.999,505 0.514,506 0.964,507 0.571,508 0.936,509 0.732,510 1.02,511 0.575,512 0.955,513 1.052,514 1.287,515 1.041,516 1.26,517 1.014,518 1.182,519 1.979,520 1.216,521 1.599,522 1.008,523 1.978,524 1.132,525 0.701,526 0.502,527 0.828,528 0.61,529 0.718,530 0.712,549 1.5,551 1.111,552 0.375,553 0.222,559 214,560 703,561 1.861,562 46.7,563 3,564 4,572 1.305,573 1.714,574 2.031,575 -0.828,582 19.3,583 1.287,584 2.523,585 2.923,586 3.457,587 3.59,588 3.59,589 1,590 2,591 2.984,592 1.835,593 51.387,594 4.673,595 280.374,600 58.603,601 1.5,602 2.906,603 0.188,605 0.111,606 0.047,607 0.111,613 0.457,614 0.83,615 0.88,616 0.875,617 21.574,622 -0.047,624 0.029,625 -0.113,626 0.086,627 -0.06,628 0.029,629 0.002,630 -0.043,631 -0.296,632 -0.122,633 -0.331,634 -0.006,635 -0.275,636 -0.322,637 0.047,638 -0.491,639 -0.105,640 -0.336,641 -0.274,642 -0.003,643 0.111,644 0.195,645 0.243,646 -0.009,647 0.268,648 0.245,649 0.247,650 1.057,651 0.827,652 0.275,653 1.077,666 1.799,667 4.319,668 0.75,669 2,670 1.003,671 1.133,672 3.045,673 9.273,674 0.666,675 2.197,676 2.398,677 2.485,678 2.398,679 2.398,680 1.609,681 0.693,685 2.33,686 0.633,687 110.14,688 2.197,689 3.611,690 4.369,691 5.153,692 5.932,693 6.718,694 7.502,695 8.287,696 9.072,697 9.858,715 4,720 2,722 6,740 1,741 15,743 6,744 1,745 8,747 15,748 7,749 6,750 2,751 4,756 1,757 1,763 1,772 6,773 1,791 1,793 7,794 1,796 1,808 1,829 1,859 1,864 1,866 1,868 8,892 1,901 4.667,902 2.976,903 1.861,904 0.848,907 1.241,908 1.3,909 0.929,910 1.292,911 5.384,912 2.485,913 3.02,914 3.458,915 3.804,916 4.202,917 3.446,918 2.151,922 0.333,923 8,924 2.935,925 0.063,926 1.154,927 0.083,929 8.167,931 5.438,932 0.026,933 4.017,934 0.045,935 0.003,936 2.667,937 21.333,938 0.037,941 82.398,942 59.037,946 14.96,948 59.037,949 82.398,950 14.96,951 8.825,953 37.905,955 12.307,956 14.96,957 82.398,959 82.398,960 59.037,961 14.96,964 97.358,968 8.825,969 50.212,972 97.358,974 59.037,977 82.398,978 12.307,979 46.73,981 14.96,982 82.398,983 14.96,984 59.037,986 0.567,987 0.319,988 0.127,989 0.057,990 5,991 2,995 1,996 1.908,997 33.731,999 6,1000 22,1005 5.296,1006 1.952,1007 1.071,1009 14.96,1010 6.7,1015 0.569,1018 156.395,1019 11,1031 15.047,1032 17.001,1034 0.329,1035 0.646,1036 0.748,1037 0.885,1038 0.919,1039 0.919,1040 3.597,1041 -2,1042 4.317,1043 -3.464,1044 3.045,1045 3.689,1047 4.977,1048 2.986,1049 4.781,1051 5.808,1052 -5.792,1053 2.565,1054 3.332,1056 5.666,1057 2.416,1058 6.048,1060 7.409,1062 4.489,1063 5.818,1065 8.636,1066 4.368,1067 7.356,1069 9.071,1071 4.796,1072 6.229,1074 10.125,1075 4.562,1076 8.694,1078 10.77,1080 6.24,1081 8.216,1083 12.598,1084 6.046,1085 10.052,1087 12.494,1089 6.917,1090 9.01,1092 14.395,1093 6.617,1094 11.427,1096 14.233,1098 8.139,1099 10.735,1101 16.666,1102 7.864,1103 2.732,1105 15.983,1107 8.983,1108 11.735,1110 18.599,1111 8.618,1112 1.414,1113 7.95,1114 17.74,1116 10.099,1117 13.308,1119 20.774,1120 9.741,1121 1.414,1122 3.464,1123 19.502,1124 3.743,1125 11.023,1126 14.428,1128 22.774,1129 10.591,1131 2.938,1132 21.267,1133 2.051,1134 12.085,1135 15.908,1137 24.901,1138 11.646,1139 -0.732,1141 23.034,1142 1.936,1143 13.048,1144 17.101,1146 26.935,1147 12.547,1148 -1.414,1149 -1.645,1150 24.803,1152 14.084,1153 18.523,1155 29.037,1156 13.564,1157 -1.414,1158 -3.451,1159 26.572,1160 -0.959,1161 15.066,1162 19.761,1164 31.089,1165 14.493,1166 267,1167 519,1168 4.97,1169 9.983,1170 11.375,1171 11.752,1172 11.923,1173 11.188,1174 11.121,1175 15.46,1177 28.704,1178 10.759,1179 4.62,1180 5.127,1181 5.569,1182 4.698,1183 4.732,1184 6.743,1186 13.742,1187 4.631,1188 3.484,1189 1.422,1190 1.469,1191 1.49,1192 1.399,1193 1.39,1194 1.932,1196 3.588,1197 1.345,1198 3.914,1199 3.945,1200 3.856,1201 3.844,1202 8.201,1203 3.841,1204 3.171,1205 3.257,1206 2.971,1207 3.024,1208 4.659,1209 3,1210 2.898,1211 2.957,1212 2.811,1213 2.733,1214 3.894,1215 2.734,1216 2.521,1217 2.62,1218 2.277,1219 2.283,1220 3.509,1221 2.262,1222 1.73,1223 1.882,1224 1.53,1225 1.208,1226 2.964,1227 1.22,1228 1.466,1229 1.683,1230 0.844,1231 1.042,1232 1.779,1233 0.962,1234 1.114,1235 1.258,1236 0.709,1237 0.53,1238 1.712,1239 0.588,1240 0.941,1241 1.207,1242 0.083,1243 0.38,1244 0.999,1245 0.262,1246 0.515,1247 0.391,1248 0.735,1249 0.462,1250 0.342,1251 4.12,1252 0.468,1253 3.127,1255 5.878,1256 0.994,1257 3.698,1258 0.329,1259 2.732,1260 3.743,1262 7.95,1263 2.631,1264 1.897,1265 1.87,1266 2.021,1267 1.991,1268 1.103,1269 2.001,1270 1.208,1271 1.128,1272 1.552,1273 1.418,1274 0.603,1275 1.469,1276 0.86,1277 0.804,1278 1.121,1279 1.068,1280 0.161,1281 1.079,1282 0.509,1283 0.417,1284 0.835,1285 0.786,1287 0.805,1290 0.303,1291 0.146,1293 0.17,1296 0.162,1297 0.031,1299 0.117,1312 2.833,1314 4.043,1316 5.476,1318 7,1320 8.556,1322 1.745,1324 12.319,1340 9.491,1341 19.3,1342 37.848,1343 43.848,1344 51.848,1345 53.848,1346 53.848,1347 8.673,1348 4.143,1351 6,1352 10.466,1353 2.807,1354 2,1355 11.915,1356 12,1357 6,1358 0.633,1359 62.939,1360 104.55,1361 145.332,1362 182,1363 6.7,1364 5.983,1365 0.748,1366 0.586,1367 5.113,1368 4.687,1369 3.805,1370 0.476,1371 0.315,1372 2.491,1373 3.693,1374 2.381,1375 2.027,1376 3.394,1377 2.516,1378 3.239,1379 0.324,1380 0.175,1381 2.743,1382 1.749,1383 2.54,1384 0.231,1385 0.098,1386 1.894,1387 1.077,1388 1.502,1389 0.15,1390 0.055,1391 1.307,1392 0.551,1393 1.024,1394 0.102,1395 0.031,1396 0.901,1397 0.31,1398 0.848,1399 23.693,1400 0.449,1401 7.576,1402 2.091,1403 36,1404 156.111,1405 39.831,1406 128.06,1407 162.22,1408 118,1409 39,1410 108.333,1411 42.492,1412 106.313,1413 149.94,1414 99,1415 5.31}
{0 CHEMBL352247,1 1.207,2 4.25,3 2.844,4 8.088,5 49.341,6 6.676,7 0.462,8 3.244,9 3.357,10 2.731,11 2.892,12 4.259,13 2.826,14 3.801,15 3.981,16 3.105,17 3.302,18 4.721,19 3.216,20 4.026,21 4.216,22 3.136,23 3.382,24 5.083,25 3.275,26 4.064,27 4.293,28 2.773,29 3.227,30 5.087,31 3.064,32 3.802,33 4.089,34 2.204,35 2.834,36 4.681,37 2.598,38 3.425,39 3.754,40 1,41 2.187,42 4.248,43 1.847,44 2.661,45 3.13,46 0.101,47 1.155,48 2.773,49 0.713,56 0.016,57 0.291,58 5.226,59 2.541,60 3.337,61 3.397,62 0.04,63 0.504,64 9.582,65 4.408,66 7.322,67 5.993,68 0.072,69 0.614,70 12.35,71 5.328,72 14.388,73 7.156,74 0.139,75 0.613,76 13.383,77 5.282,78 30.072,79 7.047,80 0.069,81 0.474,82 10.211,83 4.166,84 17.367,85 5.841,86 0.092,87 0.304,88 7.292,89 2.65,90 21.133,91 3.684,92 0.027,93 0.136,94 3.339,95 1.235,96 5.475,97 1.905,104 10,105 19,106 0.248,107 0.6,108 0.804,109 0.845,110 0.845,111 0.845,112 2.604,113 0.998,114 -4.24,115 -4.18,116 -3.95,121 45.8,122 2,123 1,124 1,144 3,145 3,159 1,176 10,180 2,187 13,192 4,200 12,206 2,214 7,219 2,227 3,281 84,282 7.845,283 7.845,284 7.845,285 7.845,286 7.845,287 6.974,288 7.781,289 4.443,290 7.821,291 6.363,292 6.363,293 6.363,294 6.363,295 6.363,296 4.998,297 6.988,298 2.065,299 6.305,300 3.378,301 1.668,302 0.678,303 0.48,304 0.48,305 0.48,306 3.225,311 1,312 1,313 105,314 1.581,317 19.208,318 24.415,321 36.99,325 0.625,326 9.395,329 1,330 0.67,331 0.83,332 0.7,333 0.5,334 1,335 1,336 0.81,337 25,338 51,339 4.515,340 3.785,341 6.771,342 4.22,343 3.208,344 4.135,345 1.277,346 11.005,347 3.243,348 3.724,349 2.939,350 5.764,351 3.419,352 2.402,353 3.028,355 7.416,356 2.437,357 3.07,358 2.011,359 4.965,360 2.802,361 1.801,362 2.23,364 5.281,365 1.803,366 2.829,367 1.844,368 4.236,369 2.42,370 1.414,371 1.937,373 3.66,374 1.421,375 2.4,376 1.433,377 3.576,378 2.061,379 1.022,380 1.289,382 2.428,383 1.056,384 1.331,385 0.703,386 2.473,387 1.035,393 0.902,394 -0.187,395 2.285,396 0.495,397 -0.527,398 -0.678,400 -1.207,401 -0.537,402 0.322,403 -0.703,404 2.256,405 0.119,406 -0.888,407 -1.069,409 -2.328,410 -0.894,411 0.026,412 -0.897,413 1.594,414 -0.291,415 -1.327,416 -1.636,418 -3.415,419 -1.351,420 -0.148,421 -1.19,422 1.29,423 -0.395,424 -1.414,425 -1.829,427 -3.876,428 -1.466,429 -0.5,430 -1.579,431 1.231,432 -0.783,433 -1.79,434 -2.146,436 -5.654,437 -1.809,438 -0.656,439 -1.718,440 1.088,441 -0.901,442 -1.902,443 -2.261,445 -6.096,446 -1.903,447 -0.815,448 -2,449 0.472,450 -1,451 -2,452 -3,453 -1.277,454 -7.214,455 -2,474 5.833,475 0.486,476 0.388,477 0.032,478 14.25,479 1.188,480 7.5,481 0.625,482 6.75,483 0.563,484 8.441,485 0.703,486 12.767,487 0.532,488 7.313,489 0.609,490 2.614,491 0.218,492 3.084,493 0.257,494 0.229,496 0.429,501 0.479,502 1.004,503 0.86,504 1.002,505 0.522,506 0.971,507 0.501,508 0.901,509 0.759,510 0.896,511 0.53,512 0.857,513 0.981,514 1.173,515 1.025,516 1.16,517 0.979,518 1.105,519 1.69,520 1.098,521 1.296,522 1.104,523 1.672,524 1.156,525 0.794,526 1.175,527 1.083,528 1.175,529 0.748,530 1.158,531 1.676,532 0.87,533 1.225,534 0.889,535 1.705,536 0.999,549 2.5,551 2,552 1.451,553 0.693,554 0.142,559 716,560 1612,561 1.991,562 50,563 8,564 3,568 1,572 1.466,573 1.8,574 2.241,575 -0.888,582 28.966,583 1.207,584 2.917,585 3.907,586 4.105,587 4.105,588 4.105,589 1.483,590 3.085,591 3.563,592 2.203,593 145.392,594 5.893,595 1025.44,597 1,600 110.039,601 1.555,602 3.478,603 0.192,605 0.105,606 0.081,607 0.063,608 0.029,613 0.47,614 0.83,615 1,616 0.799,617 40.226,618 0.002,619 0.047,620 0.035,621 0.047,622 -0.034,623 0.044,624 0.056,625 0.111,626 0.159,627 0.119,628 0.019,629 0.144,630 0.009,631 -0.191,632 -0.075,633 -0.183,634 0.012,635 -0.143,636 -0.225,637 -0.151,638 -0.304,639 -0.168,640 -0.194,641 -0.233,642 0.019,643 -0.256,644 -0.136,645 -0.25,646 0.062,647 -0.213,648 -0.24,649 0.014,650 -0.214,651 -0.007,652 -0.262,653 -0.094,654 0.309,655 0.844,656 0.981,657 0.879,658 0.255,659 0.976,666 1.353,667 4.549,668 0.75,669 4.5,670 0.985,671 1.113,672 3.014,673 9.086,674 0.668,675 2.639,676 2.996,677 3.296,678 3.526,679 3.638,680 3.466,681 3.258,682 3.135,683 2.303,684 1.099,685 2.892,686 0.62,687 160.23,688 2.639,689 4.174,690 5.043,691 5.938,692 6.828,693 7.724,694 8.619,695 9.516,696 10.411,697 11.308,715 3,720 3,722 6,727 1,741 24,743 7,744 1,745 13,747 25,748 11,749 6,750 3,751 3,752 1,756 2,757 3,763 2,767 1,768 1,770 1,772 7,773 4,774 1,777 1,782 1,786 1,793 12,794 1,796 1,808 0.5,809 1,828 1,829 1,832 1,859 1,864 2,868 12,876 1,880 1,893 4.2,896 1,901 6.667,902 5,903 2.611,904 1.576,907 1.406,908 1.259,909 0.96,910 1.537,911 6.844,912 2.89,913 3.481,914 4.056,915 4.547,916 4.988,917 4.99,918 5.087,919 5.068,920 4.467,921 3.446,922 0.667,923 18,924 4.458,925 0.006,926 1.898,927 0.026,929 7.708,931 8.694,932 0.002,933 7.359,934 -0.002,936 2.208,937 26.5,938 0.017,941 141.253,942 63.304,945 25.145,948 63.304,949 166.398,951 17.65,952 2.535,953 28.429,954 30.278,955 9.557,957 141.253,959 141.253,960 63.304,961 25.145,964 141.253,965 25.145,968 20.185,969 43.119,972 141.253,973 25.145,974 63.304,977 141.253,978 17.225,979 46.079,981 25.145,982 141.253,983 25.145,984 63.304,986 0.599,987 0.371,988 0.193,989 0.1,990 11,991 5,994 1,995 1.222,996 2.322,997 73.461,998 0.222,999 9,1000 41.02,1005 7.54,1006 2.445,1007 1.008,1009 25.145,1010 5.975,1015 3.461,1018 229.702,1019 17,1024 11.549,1028 0.314,1031 23.629,1032 26.701,1034 0.263,1035 0.636,1036 0.852,1037 0.895,1038 0.895,1039 0.895,1040 4.135,1041 -0.888,1042 5.069,1043 -1.207,1044 3.664,1045 4.159,1046 1.45,1047 5.938,1048 3.684,1049 5.358,1050 -1.327,1051 6.678,1052 -2.328,1053 3.434,1054 4.086,1056 6.963,1057 3.472,1058 6.684,1059 -1.414,1060 8.39,1061 -3.415,1062 5.313,1063 6.341,1064 1.845,1065 10.094,1066 5.353,1067 8.049,1068 -1.79,1069 10.158,1070 -3.876,1071 5.889,1072 7.064,1074 11.942,1075 5.95,1076 9.448,1077 -1.902,1078 11.96,1079 -5.654,1080 7.303,1081 8.849,1082 2.271,1083 14.602,1084 7.366,1085 10.872,1086 -2,1087 13.786,1088 -6.096,1089 8.227,1090 9.932,1092 16.779,1093 8.308,1094 12.314,1096 15.63,1097 -7.214,1098 9.474,1099 11.525,1100 2.72,1101 19.276,1102 9.561,1103 3.208,1105 17.487,1107 10.541,1108 12.777,1110 21.585,1111 10.643,1112 2.402,1113 11.005,1114 19.354,1116 11.731,1117 14.282,1118 3.184,1119 24.021,1120 11.84,1121 1.801,1122 7.416,1123 21.229,1124 4.135,1125 12.855,1126 15.616,1128 26.383,1129 12.977,1130 1.414,1131 5.281,1132 23.111,1133 3.028,1134 14.026,1135 17.079,1136 3.658,1137 28.796,1138 14.157,1139 1.022,1140 3.66,1141 24.998,1142 2.23,1143 15.174,1144 18.455,1146 31.179,1147 15.317,1149 2.428,1150 26.889,1151 1.937,1152 16.34,1153 19.897,1154 4.138,1155 33.583,1156 16.493,1157 -0.527,1159 28.784,1160 1.289,1161 17.497,1162 21.293,1164 35.975,1165 17.662,1166 787,1167 1219,1168 8.266,1169 16.023,1170 20.047,1171 21.329,1172 21.392,1173 19.726,1174 19.696,1175 25.239,1176 2.555,1177 59.578,1178 19.92,1179 5.33,1180 5.785,1181 6.299,1182 5.22,1183 5.208,1184 7.135,1185 2.555,1186 18.219,1187 5.243,1188 6.01,1189 1.542,1190 1.641,1191 1.646,1192 1.517,1193 1.515,1194 1.941,1195 0.197,1196 4.583,1197 1.532,1198 4.04,1199 4.061,1200 3.987,1201 3.984,1202 7.426,1203 3.981,1204 3.546,1205 3.597,1206 3.426,1207 3.431,1208 4.706,1209 3.422,1210 3.186,1211 3.262,1212 3.015,1213 3.048,1214 4.054,1215 3.03,1216 2.963,1217 3.052,1218 2.743,1219 2.782,1220 3.878,1221 2.758,1222 2.797,1223 2.853,1224 2.596,1225 2.545,1226 3.55,1227 2.543,1228 2.439,1229 2.505,1230 2.234,1231 2.2,1232 3.209,1233 2.207,1234 2.218,1235 2.314,1236 1.941,1237 2.03,1238 2.713,1239 1.994,1240 1.695,1241 1.847,1242 1.238,1243 1.259,1244 2.335,1245 1.231,1246 0.347,1247 0.291,1248 0.521,1249 0.325,1250 0.247,1251 4.515,1252 0.318,1253 3.785,1254 0.098,1255 6.771,1256 0.847,1257 4.22,1258 0.249,1259 3.208,1260 4.135,1261 1.277,1262 11.005,1263 3.243,1264 1.919,1265 1.898,1266 2.03,1267 1.987,1268 1.241,1269 2.002,1270 1.645,1271 1.601,1272 1.87,1273 1.809,1274 1.094,1275 1.829,1276 1.201,1277 1.124,1278 1.542,1279 1.415,1280 0.614,1281 1.463,1282 1.041,1283 0.995,1284 1.352,1285 1.223,1286 0.504,1287 1.265,1288 0.851,1289 0.753,1290 1.145,1291 1.146,1292 0.212,1293 1.151,1294 0.45,1295 0.36,1296 0.83,1297 0.71,1299 0.756,1300 0.026,1302 0.483,1303 0.343,1305 0.378,1308 0.281,1309 0.2,1311 0.239,1312 3.296,1314 4.635,1315 2.398,1316 6.18,1317 4.844,1318 7.816,1319 7.018,1320 9.497,1322 4.075,1328 0.931,1332 0.195,1340 14.876,1341 28.966,1342 70,1343 93.774,1344 98.529,1345 98.529,1346 98.529,1347 15.932,1348 5.438,1349 17.07,1350 17.07,1351 11,1352 11.832,1353 3,1354 2.322,1355 16.936,1356 22,1357 15,1358 0.458,1359 93.786,1360 161.47,1361 220.598,1362 1084,1364 8.715,1365 0.726,1366 0.619,1367 8.715,1368 7.425,1369 5.698,1370 0.438,1371 0.333,1372 4.312,1373 5.635,1374 4.098,1375 3.438,1376 5.698,1377 4.326,1378 5.308,1379 0.279,1380 0.188,1381 5.308,1382 3.57,1383 4.695,1384 0.181,1385 0.101,1386 4.695,1387 2.634,1388 3.652,1389 0.111,1390 0.057,1391 3.652,1392 1.868,1393 2.819,1394 0.076,1395 0.034,1396 2.819,1397 1.253,1398 0.632,1399 34.768,1400 0.348,1401 11.547,1402 1.534,1403 64,1404 153.736,1405 66.104,1406 152.49,1407 208.07,1408 142,1409 77,1410 150.636,1411 79.326,1412 156.172,1413 228.35,1414 147,1415 6.42}
{0 CHEMBL352500,1 1.46,2 6.176,3 3.341,4 11.162,5 69.263,6 8.158,7 0.55,8 3.535,9 3.649,10 3.202,11 3.21,12 4.536,13 3.164,14 4.119,15 4.267,16 3.667,17 3.706,18 5.052,19 3.634,20 4.419,21 4.634,22 3.652,23 3.773,24 5.323,25 3.654,26 4.305,27 4.543,28 3.533,29 3.586,30 5.308,31 3.481,32 4.138,33 4.368,34 3.214,35 3.445,36 5.056,37 3.299,38 4.021,39 4.291,40 3.045,41 3.247,42 4.82,43 3.039,44 3.727,45 4.015,46 2.661,47 2.864,48 4.446,49 2.579,50 3.041,51 3.342,52 1.736,53 2.055,54 3.819,55 1.699,56 0.026,57 0.424,58 5.523,59 2.638,60 5.266,61 3.548,62 0.028,63 0.742,64 11.141,65 5.25,66 8.114,67 7.148,68 0.106,69 0.977,70 19.81,71 7.338,72 16.959,73 9.994,74 0.211,75 0.9,76 18.202,77 5.977,78 27.552,79 8.188,80 0.132,81 0.756,82 13.791,83 5.008,84 19.9,85 6.818,86 0.118,87 0.59,88 14.98,89 5.51,90 19.144,91 7.653,92 0.094,93 0.382,94 15.39,95 4.619,96 13.169,97 6.161,98 0.099,99 0.153,100 11.634,101 2.504,102 11.115,103 3.139,104 5,105 31,106 0.277,107 0.664,108 0.765,109 0.856,110 0.881,111 0.881,112 2.913,113 0.975,114 -4.23,115 -4.17,116 -3.94,121 46.7,123 3,124 2,144 3,145 2,146 2,148 2,165 1,166 1,167 1,176 8,180 4,185 2,187 14,189 2,192 4,197 2,200 5,203 2,206 3,208 1,209 1,211 5,214 8,216 5,224 1,227 8,229 1,237 1,239 7,241 1,251 4,264 1,281 188,282 11.602,283 11.602,284 11.602,285 11.602,286 11.602,287 10.286,288 11.066,289 6.484,290 11.8,291 9.877,292 9.877,293 9.877,294 9.877,295 9.877,296 7.826,297 8.439,298 3.097,299 10.264,300 3.447,301 1.409,302 0.875,303 0.4,304 0.267,305 0.267,306 3.607,308 1,311 1,312 1,313 242,314 2,317 44.531,318 79.439,321 37.74,322 88.096,325 0.913,326 12.057,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 35.333,338 105,339 4.706,340 3.56,341 7.037,342 4.356,343 3.37,344 4.596,346 12.06,347 3.323,348 4.168,349 3.028,350 6.313,351 3.824,352 2.842,353 3.667,355 9.505,356 2.79,357 3.652,358 2.699,359 5.713,360 3.273,361 2.327,362 3.026,364 7.499,365 2.2,366 3.399,367 2.406,368 5.144,369 3.008,370 2.081,371 2.722,373 6.084,374 1.893,375 2.991,376 1.844,377 4.932,378 2.711,379 1.744,380 2.073,382 5.371,383 1.636,384 2.842,385 1.689,386 4.722,387 2.573,388 1.595,389 1.908,391 4.798,392 1.545,393 2.329,394 1.104,395 3.817,396 1.963,397 0.992,398 1.285,400 2.544,401 0.95,402 1.682,403 0.661,404 3.272,405 1.653,406 0.656,407 0.668,409 1.628,410 0.654,411 1.3,412 0.338,413 3.094,414 0.92,415 -0.026,416 -0.033,418 -0.075,419 -0.025,420 1.189,421 0.104,422 2.804,423 0.728,424 -0.165,425 -0.212,427 -0.409,428 -0.122,429 0.702,430 -0.394,431 2.36,432 0.293,433 -0.616,434 -0.754,436 -1.795,437 -0.518,438 0.26,439 -0.882,440 2.259,441 -0.126,442 -1.101,443 -1.314,445 -3.069,446 -0.955,447 -0.007,448 -0.977,449 2.141,450 -0.305,451 -1.205,452 -1.476,454 -3.49,455 -1.105,456 -0.223,457 -1.162,458 1.826,459 -0.455,460 -1.346,461 -1.562,463 -3.988,464 -1.319,465 -0.286,466 -1.395,467 1.407,468 -0.528,469 -1.499,470 -1.753,472 -4.533,473 -1.464,474 8.514,475 0.501,476 0.521,477 0.031,478 21.5,479 1.265,480 10.5,481 0.618,482 11,483 0.647,484 13.581,485 0.799,486 17.286,487 0.576,488 11.425,489 0.672,490 3.545,491 0.209,492 4.692,493 0.276,494 0.131,496 0.47,501 0.746,502 0.934,503 0.582,504 0.735,505 0.873,506 0.755,507 0.552,508 1.106,509 0.602,510 0.902,511 0.45,512 0.89,513 0.881,514 1.238,515 0.876,516 1.073,517 0.782,518 1.043,519 1.006,520 1.001,521 0.792,522 0.869,523 1.081,524 0.888,525 1.223,526 1.006,527 0.922,528 0.993,529 1.49,530 1.137,531 0.528,532 0.909,533 0.798,534 1.002,535 0.653,536 1.04,537 1.237,538 0.861,539 1.538,540 1.159,541 1.123,542 1.106,543 2.69,544 0.512,545 3.048,546 1.423,547 2.184,548 1.152,549 3.5,551 2.222,552 1.472,553 1.431,554 0.479,555 0.202,556 0.088,557 0.02,559 2312,560 5527,561 2.231,562 43.3,563 7,564 3,567 2,568 1,572 1.575,573 2.082,574 2.651,575 0.353,577 1,578 1,579 1,582 43.798,583 1.46,584 3.498,585 4.031,586 4.507,587 4.64,588 4.64,589 2.133,590 3.029,591 4.065,592 2.688,593 365.568,594 6.897,595 3110.7,596 1,597 1,599 1,600 147.207,601 1.402,602 4.021,603 0.175,605 0.072,606 0.053,607 0.06,608 0.03,609 0.018,610 0.018,611 0.02,613 0.445,614 1,615 1,616 0.604,617 67.258,618 -0.087,619 0.152,620 0.013,621 0.122,622 -0.088,623 0.105,624 0.038,625 -0.097,626 0.051,627 -0.002,628 0.138,629 0.021,630 -0.018,631 -0.254,632 -0.039,633 -0.14,634 0.043,635 -0.098,636 0.07,637 0.063,638 0.033,639 0.031,640 0.052,641 0.029,642 -0.276,643 0.053,644 -0.176,645 -0.104,646 -0.341,647 -0.232,648 0.213,649 -0.035,650 0.141,651 0.014,652 0.152,653 -0.002,654 -0.01,655 -0.096,656 0.001,657 -0.013,658 -0.095,659 0.005,660 -0.422,661 0.158,662 -0.488,663 -0.103,664 -0.392,665 0.033,666 0.937,667 2.324,668 0.882,669 7.834,670 0.994,671 1.114,672 2.996,673 8.977,674 0.715,675 3.045,676 3.466,677 3.85,678 4.234,679 4.5,680 4.663,681 4.796,682 4.963,683 5.017,684 4.883,685 3.723,686 0.668,687 244.74,688 3.045,689 4.635,690 5.549,691 6.488,692 7.419,693 8.362,694 9.299,695 10.245,696 11.185,697 12.131,698 6.7,702 1,708 1,714 2,715 3,716 1,720 4,722 11,733 1,740 1,741 30,743 11,744 1,745 20,747 33,748 14,749 9,750 3,751 3,756 4,757 10,758 1,767 3,768 2,770 3,772 9,773 5,774 2,790 1,793 13,794 2,795 2,796 3,797 1,802 2,808 0.25,822 1,828 2,829 3,832 1,833 2,859 1,865 1,868 17,869 1,876 3,880 2,892 1,901 8.167,902 5.343,903 3.5,904 1.997,907 2.412,908 1.341,909 1.074,910 1.864,911 9.492,912 3.277,913 3.98,914 4.663,915 5.335,916 5.961,917 6.388,918 6.797,919 7.219,920 7.533,921 7.497,922 1,923 28,924 6.304,926 2.875,927 0.026,929 7.516,931 12.521,933 11.591,936 2.016,937 34.278,938 0.004,941 129.482,942 52.949,943 49.683,944 39.149,948 52.949,949 168.631,950 49.683,952 7.604,953 61.326,954 16.786,955 16.917,957 129.482,958 39.149,959 129.482,960 102.632,962 39.149,964 129.482,968 12.504,969 73.342,970 55.934,972 129.482,973 49.683,974 92.098,977 129.482,978 24.52,979 28.429,981 88.831,982 129.482,983 49.683,984 92.098,986 0.608,987 0.372,988 0.215,989 0.117,990 20,991 8,994 4,995 1.467,996 2.932,997 137.74,998 0.533,999 14,1000 69.487,1005 9.867,1006 3.212,1007 1.226,1008 2.002,1009 49.683,1010 5.799,1011 4.796,1015 4.242,1017 32.897,1018 271.263,1019 25.5,1031 29.829,1032 33.432,1034 0.298,1035 0.713,1036 0.822,1037 0.918,1038 0.946,1039 0.946,1040 4.572,1041 0.656,1042 5.58,1043 2.544,1044 4.143,1045 4.663,1047 6.497,1048 4.078,1049 5.815,1050 -0.026,1051 7.201,1052 1.628,1053 3.892,1054 4.677,1056 7.554,1057 3.775,1058 7.165,1059 -0.165,1060 8.92,1061 -0.075,1062 5.838,1063 6.979,1065 10.73,1066 5.738,1067 8.553,1068 -0.616,1069 10.694,1070 -0.409,1071 6.399,1072 7.805,1074 12.621,1075 6.274,1076 9.973,1077 -1.101,1078 12.505,1079 -1.795,1080 7.852,1081 9.628,1083 15.331,1084 7.731,1085 11.418,1086 -1.205,1087 14.342,1088 -3.069,1089 8.777,1090 10.824,1092 17.569,1093 8.643,1094 12.88,1095 -1.346,1096 16.198,1097 -3.49,1098 10.057,1099 12.463,1101 20.125,1102 9.919,1103 3.37,1104 -1.499,1105 18.07,1106 -3.988,1107 11.141,1108 13.834,1110 22.508,1111 10.992,1112 2.842,1113 12.06,1114 19.954,1115 -4.533,1116 12.362,1117 15.399,1119 25.013,1120 12.205,1121 2.327,1122 9.505,1123 21.848,1124 4.596,1125 13.515,1126 16.85,1128 27.455,1129 13.346,1130 2.081,1131 7.499,1132 23.751,1133 3.667,1134 14.72,1135 18.387,1137 29.944,1138 14.54,1139 1.744,1140 6.084,1141 25.661,1142 3.026,1143 15.902,1144 19.876,1146 32.411,1147 15.71,1148 1.595,1149 5.371,1150 27.576,1151 2.722,1152 17.104,1153 21.403,1155 34.897,1156 16.9,1157 0.992,1158 4.798,1159 29.497,1160 2.073,1161 18.3,1162 22.91,1164 37.376,1165 18.083,1166 2176,1167 3443,1168 13.641,1169 21.438,1170 31.188,1171 31.669,1172 32.301,1173 31.439,1174 31.215,1175 39.89,1177 98.977,1178 29.98,1179 5.652,1180 5.56,1181 6.323,1182 5.402,1183 5.37,1184 7.596,1186 19.707,1187 5.323,1188 6.479,1189 1.559,1190 1.583,1191 1.615,1192 1.572,1193 1.561,1194 1.995,1196 4.949,1197 1.499,1198 4.154,1199 4.182,1200 4.147,1201 4.087,1202 5.16,1203 4.089,1204 3.84,1205 3.874,1206 3.863,1207 3.779,1208 4.897,1209 3.767,1210 3.32,1211 3.375,1212 3.48,1213 3.21,1214 4.611,1215 3.203,1216 3.07,1217 3.147,1218 2.981,1219 2.898,1220 4.231,1221 2.907,1222 2.865,1223 2.964,1224 2.922,1225 2.697,1226 3.974,1227 2.669,1228 2.76,1229 2.836,1230 2.615,1231 2.624,1232 3.462,1233 2.601,1234 2.679,1235 2.795,1236 2.507,1237 2.421,1238 3.227,1239 2.407,1240 2.466,1241 2.517,1242 2.335,1243 2.292,1244 3.182,1245 2.292,1246 0.235,1247 0.178,1248 0.352,1249 0.218,1250 0.168,1251 4.706,1252 0.23,1253 3.56,1255 7.037,1256 0.603,1257 4.356,1258 0.166,1259 3.37,1260 4.596,1262 12.06,1263 3.323,1264 2.044,1265 2.025,1266 2.099,1267 2.124,1268 1.361,1269 2.12,1270 1.673,1271 1.635,1272 1.854,1273 1.783,1274 1.176,1275 1.812,1276 1.524,1277 1.469,1278 1.757,1279 1.671,1280 1.121,1281 1.703,1282 1.268,1283 1.217,1284 1.441,1285 1.457,1286 0.581,1287 1.467,1288 0.974,1289 0.912,1290 1.198,1291 1.218,1292 0.22,1293 1.217,1294 0.666,1295 0.586,1296 1.025,1297 0.974,1298 0.083,1299 1.007,1300 0.601,1301 0.524,1302 0.866,1303 0.723,1304 0.058,1305 0.76,1306 0.3,1307 0.147,1308 0.789,1309 0.659,1311 0.74,1312 3.714,1314 5.106,1315 3.045,1316 6.711,1317 5.416,1318 8.417,1319 7.545,1320 10.18,1323 6.02,1326 6.324,1328 3.801,1332 1.295,1340 20.031,1341 43.798,1342 104.942,1343 120.942,1344 135.207,1345 139.207,1346 139.207,1347 19.804,1348 7.081,1349 38.91,1350 38.91,1351 22,1352 12.624,1353 3.585,1354 2.7,1355 20.893,1356 42,1357 34,1358 0.289,1359 122.774,1360 203.53,1361 291.329,1362 9423,1363 3.3,1364 11.569,1365 0.681,1366 0.598,1367 12.069,1368 10.167,1369 8.237,1370 0.412,1371 0.325,1372 6.129,1373 7.836,1374 5.974,1375 4.856,1376 8.526,1377 6.501,1378 8.011,1379 0.258,1380 0.182,1381 8.42,1382 5.629,1383 7.319,1384 0.159,1385 0.098,1386 7.581,1387 4.52,1388 6.744,1389 0.099,1390 0.054,1391 6.979,1392 3.697,1393 5.405,1394 0.061,1395 0.028,1396 5.636,1397 2.531,1398 0.417,1399 53.295,1400 0.271,1401 16.341,1402 0.903,1403 102,1404 219.161,1405 120.6,1406 252.082,1407 350.12,1408 236,1409 128,1410 249.525,1411 141.422,1412 265.81,1413 398.16,1414 253,1415 8.347}
{0 CHEMBL355740,1 1.46,2 5.765,3 3.341,4 11.162,5 69.263,6 8.158,7 0.55,8 3.535,9 3.649,10 3.202,11 3.21,12 4.537,13 3.164,14 4.119,15 4.267,16 3.667,17 3.706,18 5.041,19 3.634,20 4.42,21 4.634,22 3.729,23 3.777,24 5.352,25 3.665,26 4.308,27 4.543,28 3.601,29 3.618,30 5.311,31 3.512,32 4.149,33 4.366,34 3.349,35 3.472,36 5.144,37 3.33,38 4.036,39 4.289,40 3.057,41 3.296,42 4.831,43 3.079,44 3.726,45 4.015,46 2.203,47 2.802,48 4.433,49 2.482,50 2.98,51 3.351,52 0.735,53 1.786,54 3.473,55 1.383,56 0.026,57 0.424,58 5.523,59 2.638,60 5.377,61 3.548,62 0.028,63 0.742,64 11.141,65 5.25,66 7.178,67 7.148,68 0.131,69 0.973,70 19.629,71 7.292,72 18.923,73 9.988,74 0.177,75 0.897,76 18.461,77 6.068,78 24.72,79 8.198,80 0.18,81 0.741,82 15.607,83 5.088,84 26.287,85 6.827,86 0.118,87 0.578,88 17.696,89 5.737,90 17.622,91 7.68,92 0.115,93 0.385,94 16.311,95 4.638,96 15.403,97 6.163,98 0.063,99 0.175,100 8.101,101 2.259,102 7.965,103 3.11,104 5,105 31,106 0.277,107 0.664,108 0.765,109 0.856,110 0.881,111 0.881,112 2.914,113 0.976,114 -4.23,115 -4.17,116 -3.94,121 46.7,123 3,124 2,144 3,145 2,146 2,148 2,165 1,166 1,167 1,176 9,180 3,185 2,187 12,189 2,192 6,197 2,200 6,203 2,206 2,208 1,209 1,211 4,214 6,216 4,224 3,227 9,229 3,239 10,251 3,281 185,282 11.654,283 11.654,284 11.654,285 11.654,286 11.654,287 10.319,288 11.066,289 6.509,290 11.825,291 9.861,292 9.861,293 9.861,294 9.861,295 9.861,296 7.805,297 8.439,298 3.072,299 10.216,300 3.447,301 1.409,302 0.875,303 0.4,304 0.267,305 0.267,306 3.607,308 1,311 1,312 1,313 226,314 2,317 43.334,318 78.169,321 36.791,322 86.624,325 0.865,326 12.482,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 35.333,338 98,339 4.731,340 3.574,341 7.059,342 4.366,343 3.383,344 4.645,346 12.134,347 3.326,348 4.217,349 3.151,350 6.465,351 3.874,352 2.905,353 3.71,355 9.976,356 2.811,357 3.685,358 2.638,359 5.827,360 3.314,361 2.364,362 3.075,364 7.77,365 2.226,366 3.165,367 2.282,368 5.287,369 2.915,370 1.952,371 2.352,373 6.136,374 1.864,375 2.995,376 1.786,377 4.952,378 2.693,379 1.718,380 2.105,382 5.325,383 1.646,384 2.837,385 1.536,386 4.345,387 2.411,388 1.43,389 1.937,391 3.793,392 1.398,393 2.417,394 1.335,395 3.82,396 2.085,397 1.152,398 1.402,400 2.848,401 1.035,402 1.691,403 0.682,404 3.272,405 1.659,406 0.662,407 0.674,409 1.635,410 0.659,411 1.434,412 0.47,413 3.08,414 1.02,415 0.118,416 0.148,418 0.296,419 0.097,420 1.027,421 -0.003,422 2.843,423 0.645,424 -0.279,425 -0.335,427 -0.803,428 -0.23,429 0.855,430 -0.385,431 2.351,432 0.381,433 -0.535,434 -0.722,436 -1.338,437 -0.467,438 0.181,439 -0.828,440 2.258,441 -0.115,442 -1.075,443 -1.236,445 -3.155,446 -0.967,447 -0.038,448 -1.072,449 2.141,450 -0.326,451 -1.321,452 -1.46,454 -3.539,455 -1.146,456 -0.218,457 -1.154,458 1.826,459 -0.487,460 -1.339,461 -1.641,463 -3.97,464 -1.314,465 -0.277,466 -1.4,467 1.4,468 -0.567,469 -1.506,470 -1.835,472 -4.472,473 -1.465,474 8.514,475 0.501,476 0.504,477 0.03,478 21.5,479 1.265,480 10.5,481 0.618,482 11,483 0.647,484 13.732,485 0.808,486 17.286,487 0.576,488 11.449,489 0.673,490 3.56,491 0.209,492 4.694,493 0.276,494 0.131,496 0.47,501 0.746,502 0.934,503 0.582,504 0.735,505 0.868,506 0.755,507 0.552,508 1.106,509 0.602,510 0.902,511 0.491,512 0.89,513 0.731,514 1.242,515 0.783,516 1.047,517 0.663,518 1.006,519 1.212,520 0.972,521 0.859,522 0.802,523 1.209,524 0.84,525 1.32,526 1.016,527 1.127,528 1.079,529 1.482,530 1.171,531 1.174,532 0.893,533 1.356,534 1.14,535 1.245,536 1.149,537 1.395,538 0.906,539 1.848,540 1.413,541 1.249,542 1.324,543 1.012,544 0.534,545 1.333,546 0.95,547 0.893,548 0.867,549 3,551 2.444,552 1.472,553 1.471,554 0.545,555 0.133,556 0.028,559 2260,560 5255,561 2.231,562 43.3,563 7,564 3,567 2,568 1,572 1.577,573 2.082,574 2.583,575 0.353,577 1,578 1,579 1,582 43.798,583 1.46,584 3.498,585 4.031,586 4.507,587 4.64,588 4.64,589 1.921,590 2.911,591 4.068,592 2.607,593 354.603,594 6.91,595 3047.21,596 1,597 1,599 1,600 147.207,601 1.402,602 4.021,603 0.15,605 0.079,606 0.051,607 0.059,608 0.032,609 0.012,610 0.009,613 0.392,614 1,615 1,616 0.604,617 66.901,618 -0.087,619 0.152,620 0.013,621 0.122,622 -0.083,623 0.105,624 0.038,625 -0.097,626 0.051,627 -0.002,628 0.094,629 0.021,630 0.137,631 -0.259,632 0.057,633 -0.114,634 0.164,635 -0.06,636 -0.055,637 0.088,638 0.048,639 0.112,640 -0.018,641 0.08,642 -0.168,643 0.033,644 -0.188,645 -0.165,646 -0.187,647 -0.264,648 -0.116,649 -0.034,650 -0.111,651 -0.084,652 -0.212,653 -0.112,654 -0.174,655 -0.142,656 -0.32,657 -0.276,658 -0.213,659 -0.22,660 0.025,661 0.197,662 0.051,663 0.217,664 0.013,665 0.316,666 0.959,667 2.327,668 0.882,669 7.522,670 0.994,671 1.114,672 2.996,673 8.977,674 0.715,675 3.045,676 3.466,677 3.871,678 4.248,679 4.511,680 4.663,681 4.828,682 4.942,683 5.011,684 4.868,685 3.611,686 0.668,687 244.74,688 3.045,689 4.635,690 5.557,691 6.497,692 7.434,693 8.379,694 9.322,695 10.268,696 11.213,697 12.16,698 6.7,702 1,708 1,714 2,715 3,716 1,720 4,722 11,733 1,740 1,741 30,743 11,744 1,745 20,747 33,748 14,749 9,750 3,751 3,756 4,757 10,758 1,767 3,768 2,770 3,772 9,773 5,774 2,790 1,793 13,794 2,795 2,796 3,797 1,802 2,808 0.25,822 1,828 2,829 3,832 1,833 2,859 1,865 1,868 17,869 1,876 3,880 2,892 1,901 8.167,902 5.343,903 3.528,904 2.004,907 2.424,908 1.342,909 1.074,910 1.864,911 9.505,912 3.277,913 3.98,914 4.684,915 5.351,916 5.966,917 6.378,918 6.816,919 7.173,920 7.515,921 7.502,922 0.75,923 29,924 6.308,926 2.882,927 0.026,929 7.516,931 12.521,933 11.596,936 2.016,937 34.278,938 0.004,941 129.482,942 52.949,943 49.683,944 39.149,948 52.949,949 168.631,950 49.683,952 7.604,953 61.326,954 16.786,955 16.917,957 129.482,958 39.149,959 129.482,960 102.632,962 39.149,964 129.482,968 12.504,969 73.342,970 55.934,972 129.482,973 49.683,974 92.098,977 129.482,978 24.52,979 28.429,981 88.831,982 129.482,983 49.683,984 92.098,986 0.607,987 0.382,988 0.221,989 0.117,990 20,991 8,994 4,995 1.467,996 2.911,997 138.772,998 0.533,999 14,1000 69.487,1005 9.867,1006 3.212,1007 1.173,1008 1.891,1009 49.683,1010 5.855,1011 4.787,1015 4.162,1017 32.897,1018 271.263,1019 25.5,1031 29.829,1032 33.432,1034 0.298,1035 0.713,1036 0.822,1037 0.918,1038 0.946,1039 0.946,1040 4.572,1041 0.662,1042 5.587,1043 2.848,1044 4.143,1045 4.663,1047 6.518,1048 4.078,1049 5.815,1050 0.118,1051 7.219,1052 1.635,1053 3.892,1054 4.677,1056 7.609,1057 3.775,1058 7.168,1059 -0.279,1060 8.95,1061 0.296,1062 5.849,1063 6.992,1065 10.793,1066 5.742,1067 8.562,1068 -0.535,1069 10.738,1070 -0.803,1071 6.431,1072 7.845,1074 12.709,1075 6.287,1076 9.991,1077 -1.075,1078 12.562,1079 -1.338,1080 7.886,1081 9.67,1083 15.421,1084 7.744,1085 11.444,1086 -1.321,1087 14.41,1088 -3.155,1089 8.83,1090 10.896,1092 17.67,1093 8.662,1094 12.916,1095 -1.339,1096 16.277,1097 -3.539,1098 10.11,1099 12.537,1101 20.227,1102 9.937,1103 3.383,1104 -1.506,1105 18.157,1106 -3.97,1107 11.205,1108 13.93,1110 22.613,1111 11.013,1112 2.905,1113 12.134,1114 20.048,1115 -4.472,1116 12.428,1117 15.5,1119 25.119,1120 12.226,1121 2.364,1122 9.976,1123 21.948,1124 4.645,1125 13.586,1126 16.969,1128 27.563,1129 13.367,1130 1.952,1131 7.77,1132 23.855,1133 3.71,1134 14.793,1135 18.513,1137 30.054,1138 14.562,1139 1.718,1140 6.136,1141 25.768,1142 3.075,1143 15.978,1144 20.016,1146 32.523,1147 15.732,1148 1.43,1149 5.325,1150 27.687,1151 2.352,1152 17.183,1153 21.551,1155 35.011,1156 16.922,1157 1.152,1158 3.793,1159 29.609,1160 2.105,1161 18.381,1162 23.07,1164 37.491,1165 18.106,1166 2131,1167 3330,1168 13.641,1169 21.438,1170 31.394,1171 31.919,1172 32.456,1173 31.482,1174 31.366,1175 40.097,1177 99.824,1178 30.126,1179 5.677,1180 5.574,1181 6.587,1182 5.412,1183 5.383,1184 7.645,1186 19.838,1187 5.326,1188 6.318,1189 1.57,1190 1.596,1191 1.623,1192 1.574,1193 1.568,1194 2.005,1196 4.991,1197 1.506,1198 4.154,1199 4.182,1200 4.164,1201 4.089,1202 5.167,1203 4.09,1204 3.84,1205 3.874,1206 3.844,1207 3.778,1208 4.898,1209 3.766,1210 3.314,1211 3.376,1212 3.429,1213 3.193,1214 4.538,1215 3.188,1216 3.077,1217 3.147,1218 3.109,1219 2.927,1220 4.278,1221 2.929,1222 2.866,1223 2.964,1224 2.864,1225 2.692,1226 4.048,1227 2.664,1228 2.768,1229 2.834,1230 2.621,1231 2.635,1232 3.456,1233 2.613,1234 2.673,1235 2.796,1236 2.452,1237 2.379,1238 3.283,1239 2.373,1240 2.46,1241 2.519,1242 2.35,1243 2.306,1244 3.082,1245 2.305,1246 0.237,1247 0.179,1248 0.353,1249 0.218,1250 0.169,1251 4.731,1252 0.232,1253 3.574,1255 7.059,1256 0.607,1257 4.366,1258 0.166,1259 3.383,1260 4.645,1262 12.134,1263 3.326,1264 2.044,1265 2.025,1266 2.095,1267 2.121,1268 1.362,1269 2.118,1270 1.674,1271 1.635,1272 1.858,1273 1.785,1274 1.176,1275 1.815,1276 1.524,1277 1.469,1278 1.757,1279 1.671,1280 1.121,1281 1.703,1282 1.273,1283 1.216,1284 1.473,1285 1.468,1286 0.592,1287 1.48,1288 0.961,1289 0.914,1290 1.14,1291 1.21,1292 0.171,1293 1.203,1294 0.657,1295 0.585,1296 0.988,1297 0.943,1298 0.08,1299 0.978,1300 0.62,1301 0.523,1302 0.866,1303 0.759,1304 0.071,1305 0.795,1306 0.3,1307 0.147,1308 0.842,1309 0.659,1311 0.739,1312 3.714,1314 5.106,1315 3.045,1316 6.718,1317 5.416,1318 8.433,1319 7.545,1320 10.204,1323 6.215,1326 6.327,1328 3.774,1332 1.267,1340 20.031,1341 43.798,1342 104.942,1343 120.942,1344 135.207,1345 139.207,1346 139.207,1347 20.326,1348 7.081,1349 38.91,1350 38.91,1351 22,1352 12.651,1353 3.585,1354 2.7,1355 20.837,1356 41,1357 25,1358 0.297,1359 122.774,1360 203.53,1361 291.329,1362 9417,1363 3.3,1364 11.569,1365 0.681,1366 0.598,1367 12.069,1368 10.167,1369 8.254,1370 0.413,1371 0.325,1372 6.135,1373 7.873,1374 5.982,1375 4.866,1376 8.543,1377 6.507,1378 7.905,1379 0.255,1380 0.18,1381 8.276,1382 5.574,1383 7.463,1384 0.159,1385 0.098,1386 7.821,1387 4.608,1388 6.809,1389 0.099,1390 0.054,1391 7.103,1392 3.759,1393 5.475,1394 0.061,1395 0.028,1396 5.748,1397 2.551,1398 0.425,1399 53.396,1400 0.271,1401 16.241,1402 0.945,1403 102,1404 219.161,1405 120.6,1406 251.978,1407 350.76,1408 236,1409 129,1410 250.525,1411 144.865,1412 266.757,1413 402.03,1414 254,1415 7.074}
{0 CHEMBL355821,1 1.321,2 5.077,3 1.95,4 3.803,5 52.838,6 6.89,7 0.4,8 3.336,9 3.464,10 2.882,11 2.928,12 4.267,13 2.888,14 3.913,15 4.105,16 3.237,17 3.342,18 4.783,19 3.276,20 4.142,21 4.389,22 3.144,23 3.398,24 4.939,25 3.28,26 4.019,27 4.293,28 2.797,29 3.199,30 4.765,31 3.043,32 3.734,33 4.023,34 2.411,35 2.915,36 4.376,37 2.725,38 3.378,39 3.644,40 1.908,41 2.591,42 4.019,43 2.363,44 3.133,45 3.496,46 0.739,47 1.989,48 3.555,49 1.608,50 2.091,51 2.539,52 0.055,53 0.77,54 2.197,55 0.441,56 0.023,57 0.379,58 5.586,59 2.296,60 3.379,61 3.262,62 0.1,63 0.657,64 10.706,65 3.904,66 7.718,67 5.689,68 0.112,69 0.77,70 14.072,71 4.904,72 11.403,73 7.322,74 0.115,75 0.651,76 12.683,77 4.358,78 12.411,79 6.533,80 0.063,81 0.46,82 9.477,83 3.732,84 6.893,85 5.461,86 0.032,87 0.315,88 6.421,89 2.77,90 4.757,91 3.974,92 0.03,93 0.211,94 5.381,95 2.17,96 4.4,97 3.215,98 0.015,99 0.057,100 1.918,101 0.682,102 1.549,103 1.058,105 21,106 0.267,107 0.614,108 0.792,109 0.857,110 0.873,111 0.873,112 2.673,113 0.968,114 -3.78,115 -3.75,116 -3.56,121 44,123 2,127 2,144 4,145 1,146 1,160 1,176 5,179 1,180 6,187 4,192 4,200 2,206 3,214 3,219 1,227 4,239 3,281 82,282 9.154,283 9.154,284 9.154,285 9.154,286 9.154,287 8.22,288 13.472,289 5.464,290 9.31,291 7.442,292 7.442,293 7.442,294 7.442,295 7.442,296 6.017,297 19.722,298 2.615,299 7.72,300 3.323,301 1.6,302 0.72,303 0.4,304 0.32,305 0.32,306 3.347,311 1,312 1,313 150,314 1.414,317 17.814,318 39.143,321 29.587,322 33.232,325 0.71,326 4.961,329 1,330 0.67,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.83,337 27,338 66,339 4.356,340 3.485,341 6.365,342 4.009,343 3.057,344 3.922,345 1.469,346 9.85,347 2.916,348 3.825,349 2.791,350 5.886,351 3.511,352 2.547,353 3.106,354 0.739,355 8.153,356 2.445,357 3.069,358 2.232,359 4.717,360 2.724,361 1.771,362 2.183,363 0.169,364 5.165,365 1.686,366 2.884,367 1.502,368 3.943,369 2.437,370 1.443,371 2.048,373 3.058,374 1.434,375 2.501,376 1.388,377 3.631,378 2.106,379 1.136,380 1.447,382 3.049,383 1.099,384 2.151,385 1.199,386 3.441,387 2.069,388 1.09,389 1.135,391 2.412,392 1.065,393 1.408,394 0.534,395 2.887,396 1.211,397 0.241,398 0.274,400 0.595,401 0.233,402 0.823,403 -0.123,404 2.636,405 0.474,406 -0.488,407 -0.582,409 -1.34,410 -0.467,411 0.662,412 -0.446,413 2,414 0.257,415 -0.709,416 -0.888,418 -1.718,419 -0.683,420 0.338,421 -0.915,422 1.839,423 -0.064,424 -1.044,425 -1.468,427 -2.778,428 -1.022,429 -0.273,430 -1.187,431 1.539,432 -0.511,433 -1.497,434 -1.646,436 -3.758,437 -1.462,438 -0.5,439 -1.366,440 1.187,441 -0.666,442 -1.604,443 -1.772,445 -4.929,446 -1.511,447 -0.575,448 -1.566,449 1.115,450 -0.984,451 -1.942,452 -2.148,453 -0.594,454 -5.342,455 -1.848,456 -0.74,457 -1.667,458 0.499,459 -1,460 -2,461 -2.61,462 -0.756,463 -5.698,464 -1.886,465 -0.927,466 -2,467 0.316,468 -1.072,469 -2,470 -3,471 -1.027,472 -6.718,473 -2,474 6.3,475 0.485,476 0.239,477 0.018,478 16.75,479 1.288,480 8,481 0.615,482 8.75,483 0.673,484 8.177,485 0.629,486 13.5,487 0.54,488 7.907,489 0.608,490 3.094,491 0.238,492 3.339,493 0.257,496 0.302,501 0.87,502 1.354,503 0.813,504 1.069,505 0.715,506 0.96,507 1.171,508 1.108,509 0.95,510 0.972,511 0.834,512 0.947,513 1.336,514 1.113,515 1.06,516 1.015,517 1.154,518 1.014,519 1.451,520 0.908,521 1.149,522 0.95,523 1.541,524 1.01,525 0.754,526 0.836,527 0.975,528 0.962,529 0.808,530 0.983,531 0.52,532 1.071,533 1.227,534 1.332,535 0.982,536 1.34,537 0.236,538 0.838,539 0.902,540 1.043,541 0.693,542 1.033,549 2,551 1.333,552 0.569,553 0.702,554 0.104,555 0.024,559 1136,560 2158,561 2.266,562 48,564 8,568 2,569 2,572 1.486,573 2.229,574 2.468,575 -0.822,579 1,582 33.023,583 1.321,584 3.044,585 3.924,586 4.244,587 4.324,588 4.324,589 1.577,590 2.565,591 3.683,592 2.427,593 189.341,594 6.104,595 1361.1,597 1,600 116.096,601 0.89,602 3.673,603 0.133,605 0.063,606 0.032,607 0.058,608 0.013,609 0.006,613 0.306,614 1,615 1,617 45.8,618 0.083,619 -0.231,620 0.096,621 -0.065,622 0.14,623 0.002,624 0.083,625 -0.011,626 0.003,627 -0.025,628 0.092,629 -0.019,630 -0.133,631 -0.104,632 -0.09,633 -0.086,634 -0.031,635 -0.084,636 -0.262,637 0.07,638 -0.171,639 -0.027,640 -0.271,641 -0.08,642 -0.045,643 0.044,644 -0.02,645 0.018,646 -0.052,647 0.004,648 -0.076,649 -0.216,650 -0.312,651 -0.326,652 -0.278,653 -0.337,654 0.175,655 -0.131,656 0.069,657 -0.058,658 0.04,659 -0.013,660 0.538,661 0.581,662 1.074,663 0.966,664 0.745,665 1.049,666 0.49,667 1.65,668 1,669 4.899,670 0.985,671 1.123,672 2.554,673 6.521,674 0.673,675 2.773,676 3.091,677 3.401,678 3.689,679 3.892,680 3.912,681 3.989,682 4.025,683 3.807,684 3.401,685 3.197,686 0.627,687 172.25,688 2.773,689 4.29,690 5.153,691 6.033,692 6.913,693 7.798,694 8.682,695 9.568,696 10.453,697 11.34,698 8,701 1,707 1,715 4,720 2,722 6,741 25,743 7,744 1,745 15,747 27,748 11,749 6,750 2,751 4,752 1,756 3,757 6,767 2,770 2,772 7,773 4,777 1,785 1,786 1,793 12,794 2,796 2,802 2,804 1,808 0.333,828 1,829 2,832 1,833 1,855 1,859 1,868 13,876 4,881 1,901 5.833,902 4.483,903 2.806,904 1.663,907 1.671,908 1.275,909 1.043,910 1.498,911 7.749,912 2.996,913 3.541,914 4.09,915 4.624,916 5.136,917 5.269,918 5.572,919 5.845,920 5.965,921 5.596,922 0.5,923 18,924 4.821,925 -0.003,926 2.071,927 0.026,929 7.346,931 9.703,932 -0.001,933 8.391,934 -0.001,936 1.846,937 24,938 0.021,941 141.253,942 55.456,943 19.91,948 55.456,949 141.253,950 19.91,952 9.28,953 37.905,954 2.328,955 25.852,957 141.253,959 141.253,960 75.366,964 117.711,965 23.542,968 29.19,969 46.175,972 141.253,973 19.91,974 55.456,977 141.253,978 17.551,979 41.029,981 16.786,982 141.253,983 19.91,984 55.456,986 0.578,987 0.345,988 0.197,989 0.103,990 13,991 4,994 2,995 1.308,996 2.631,997 86.254,998 0.308,999 13,1000 48.106,1005 7.279,1006 2.675,1007 1.098,1009 19.91,1010 8.439,1015 2.545,1018 216.619,1019 19,1027 4.65,1028 1.29,1031 24.622,1032 28.073,1034 0.284,1035 0.655,1036 0.845,1037 0.914,1038 0.931,1039 0.931,1040 4.227,1041 -0.488,1042 5.118,1043 0.595,1044 3.761,1045 4.22,1046 1.743,1047 5.922,1048 3.686,1049 5.395,1050 -0.709,1051 6.661,1052 -1.34,1053 3.219,1054 3.829,1055 1.048,1056 6.763,1057 3.074,1058 6.684,1059 -1.044,1060 8.306,1061 -1.718,1062 5.333,1063 6.307,1064 2.018,1065 9.879,1066 5.168,1067 8.009,1068 -1.497,1069 10.012,1070 -2.778,1071 5.673,1072 6.762,1073 1.886,1074 11.563,1075 5.433,1076 9.37,1077 -1.604,1078 11.758,1079 -3.758,1080 7.204,1081 8.689,1082 2.535,1083 14.148,1084 6.944,1085 10.754,1086 -1.942,1087 13.53,1088 -4.929,1089 7.958,1090 9.557,1091 2.674,1092 16.164,1093 7.627,1094 12.156,1095 -2,1096 15.318,1097 -5.342,1098 9.24,1099 11.223,1100 3.183,1101 18.56,1102 8.882,1103 3.057,1104 -2,1105 17.119,1106 -5.698,1107 10.185,1108 12.309,1109 3.452,1110 20.718,1111 9.764,1112 2.547,1113 9.85,1114 18.928,1115 -6.718,1116 11.363,1117 13.84,1118 3.896,1119 23.041,1120 10.907,1121 1.771,1122 8.153,1123 20.743,1124 3.922,1125 12.396,1126 15.046,1127 4.225,1128 25.263,1129 11.883,1130 1.443,1131 5.165,1132 22.563,1133 3.106,1134 13.532,1135 16.504,1136 4.638,1137 27.559,1138 12.978,1139 1.136,1140 3.058,1141 24.386,1142 2.183,1143 14.606,1144 17.778,1145 4.996,1146 29.811,1147 13.999,1148 1.09,1149 3.049,1150 26.212,1151 2.048,1152 15.726,1153 19.196,1154 5.395,1155 32.098,1156 15.075,1157 0.241,1158 2.412,1159 28.041,1160 1.447,1161 16.82,1162 20.509,1163 5.767,1164 34.365,1165 16.119,1166 1094,1167 1566,1168 10.633,1169 16.818,1170 22.655,1171 22.657,1172 22.537,1173 22.599,1174 22.568,1175 28.228,1176 4.754,1177 64.562,1178 21.758,1179 5.283,1180 5.485,1181 6.049,1182 5.08,1183 5.057,1184 6.922,1185 2.496,1186 16.568,1187 4.916,1189 1.51,1190 1.51,1191 1.502,1192 1.507,1193 1.505,1194 1.882,1195 0.317,1196 4.304,1197 1.451,1198 4.018,1199 4.063,1200 3.96,1201 3.916,1202 4.873,1203 3.921,1204 3.705,1205 3.757,1206 3.597,1207 3.586,1208 4.431,1209 3.582,1210 3.147,1211 3.226,1212 2.977,1213 3.003,1214 3.909,1215 2.988,1216 3.019,1217 3.094,1218 2.908,1219 2.848,1220 3.72,1221 2.852,1222 2.759,1223 2.851,1224 2.549,1225 2.589,1226 3.416,1227 2.567,1228 2.451,1229 2.537,1230 2.311,1231 2.276,1232 3.096,1233 2.275,1234 2.398,1235 2.521,1236 2.092,1237 2.131,1238 2.878,1239 2.107,1240 1.9,1241 2.078,1242 1.42,1243 1.525,1244 2.294,1245 1.473,1246 0.29,1247 0.232,1248 0.424,1249 0.267,1250 0.204,1251 4.356,1252 0.261,1253 3.485,1254 0.098,1255 6.365,1256 0.657,1257 4.009,1258 0.194,1259 3.057,1260 3.922,1261 1.469,1262 9.85,1263 2.916,1264 1.941,1265 1.911,1266 2.044,1267 2.048,1268 1.211,1269 2.048,1270 1.567,1271 1.499,1272 1.838,1273 1.748,1274 1.174,1275 1.783,1276 1.429,1277 1.364,1278 1.618,1279 1.629,1280 0.805,1281 1.632,1282 0.993,1283 0.927,1284 1.284,1285 1.186,1286 0.506,1287 1.223,1288 0.806,1289 0.739,1290 1.109,1291 1.002,1292 0.182,1293 1.043,1294 0.505,1295 0.405,1296 0.849,1297 0.777,1299 0.808,1300 0.16,1301 0.03,1302 0.719,1303 0.505,1305 0.587,1306 0.028,1308 0.467,1309 0.415,1311 0.454,1312 3.434,1314 4.745,1315 2.398,1316 6.271,1317 4.595,1318 7.898,1319 6.581,1320 9.576,1328 4.684,1333 2.391,1340 15.677,1341 33.023,1342 76.096,1343 98.096,1344 106.096,1345 108.096,1346 108.096,1347 10.218,1348 6.078,1349 15.6,1350 15.6,1351 17,1352 11.871,1353 3,1354 2.322,1355 16.43,1356 28,1357 14,1358 0.348,1359 95.985,1360 162.32,1361 225.963,1362 2788,1364 8.673,1365 0.667,1366 0.579,1367 8.673,1368 7.532,1369 6.433,1370 0.429,1371 0.323,1372 4.794,1373 6.275,1374 4.696,1375 3.86,1376 6.433,1377 4.838,1378 5.727,1379 0.273,1380 0.175,1381 5.727,1382 3.682,1383 5.094,1384 0.176,1385 0.096,1386 5.094,1387 2.796,1388 4.417,1389 0.113,1390 0.054,1391 4.417,1392 2.11,1393 3.515,1394 0.073,1395 0.029,1396 3.515,1397 1.368,1398 0.499,1399 39.579,1400 0.307,1401 12.762,1402 1.09,1403 72,1404 157.29,1405 76.524,1406 157.168,1407 226.89,1408 150,1409 86,1410 176.634,1411 91.329,1412 179.924,1413 265.86,1414 171,1415 5.429}
{0 CHEMBL356000,1 1.529,2 8.053,3 2.948,4 8.693,5 73.483,6 6.727,7 0.25,8 3.749,9 3.88,10 3.223,11 3.177,12 4.863,13 3.156,14 4.303,15 4.506,16 3.5,17 3.57,18 5.19,19 3.513,20 4.564,21 4.793,22 3.55,23 3.738,24 5.444,25 3.633,26 4.647,27 4.903,28 3.469,29 3.675,30 5.583,31 3.548,32 4.526,33 4.808,34 3.296,35 3.493,36 5.477,37 3.379,38 4.368,39 4.619,40 3.159,41 3.431,42 5.353,43 3.309,44 4.253,45 4.526,46 3.144,47 3.429,48 5.067,49 3.298,50 4.205,51 4.464,52 3,53 3.33,54 5.158,55 3.184,56 0.074,57 0.558,58 9.295,59 3.316,60 17.216,61 4.883,62 0.247,63 0.861,64 17.032,65 5.335,66 18.84,67 8.067,68 0.227,69 1.011,70 22.183,71 7.678,72 28.127,73 11.156,74 0.394,75 1.001,76 24.762,77 7.355,78 42.247,79 11.415,80 0.356,81 0.847,82 22.292,83 5.917,84 43.982,85 9.497,86 0.407,87 0.758,88 18.926,89 5.515,90 50.121,91 8.4,92 0.151,93 0.756,94 16.15,95 5.282,96 19.63,97 8.318,98 0.129,99 0.702,100 15.402,101 4.867,102 24.831,103 7.72,104 15,105 26,106 0.278,107 0.609,108 0.789,109 0.863,110 0.891,111 0.891,112 3.009,113 0.998,114 -2.98,115 -2.98,116 -2.88,121 35.9,123 4,124 1,126 1,128 1,129 1,142 1,143 1,147 1,153 1,157 1,163 1,172 1,176 6,180 2,182 2,187 6,191 1,192 3,194 1,200 5,205 1,206 2,209 1,213 1,214 3,216 2,218 1,227 1,229 3,232 2,235 1,241 2,244 5,256 5,261 2,269 2,274 3,281 410,282 13.069,283 13.069,284 13.069,285 13.069,286 13.069,287 11.918,288 15.415,289 7.918,290 13.467,291 9.752,292 9.752,293 9.752,294 9.752,295 9.752,296 8.168,297 20.453,298 3.533,299 10.355,300 3.756,301 1.932,302 0.942,303 0.532,304 0.378,305 0.378,306 3.667,310 1,311 1,312 1,313 313,314 2.739,317 54.798,318 65.05,325 1.114,326 14.091,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 41.5,338 153,339 4.4,340 3.631,341 6.472,342 3.947,343 3.03,344 4.086,345 1.697,346 10.008,347 2.783,348 3.961,349 3.318,350 6.129,351 3.796,352 2.827,353 2.957,354 1.041,355 8.977,356 2.732,357 3.292,358 3.073,359 4.955,360 2.809,361 1.912,362 2.335,364 5.435,365 1.711,366 3.122,367 2.403,368 4.39,369 2.544,370 1.584,371 2.128,373 4.211,374 1.525,375 3.041,376 1.963,377 4.103,378 2.475,379 1.519,380 1.851,382 3.581,383 1.446,384 2.507,385 1.573,386 3.629,387 2.43,388 1.455,389 1.489,391 3.049,392 1.409,393 2.362,394 1.45,395 3.209,396 1.822,397 0.867,398 1.223,400 1.716,401 0.826,402 2.27,403 1.017,404 3.081,405 1.627,406 0.699,407 0.803,409 1.426,410 0.641,411 1.747,412 0.69,413 2.701,414 1.409,415 0.446,416 0.624,418 0.702,419 0.429,420 1.03,421 0.597,422 2.271,423 0.852,424 -0.101,425 -0.112,427 -0.184,428 -0.095,429 0.675,430 -0.035,431 2,432 0.418,433 -0.531,434 -0.622,436 -1.01,437 -0.498,438 0.413,439 -0.345,440 2,441 0.138,442 -0.841,443 -0.931,445 -1.617,446 -0.796,447 0.235,448 -0.671,449 1.793,450 0.053,451 -0.883,452 -1.053,454 -2.008,455 -0.851,456 0.049,457 -0.962,458 1.419,459 -0.241,460 -1.163,461 -1.302,463 -3.022,464 -1.074,465 -0.313,466 -1.238,467 1.313,468 -0.63,469 -1.572,470 -1.81,472 -4.07,473 -1.447,474 8.867,475 0.467,476 0.328,477 0.017,478 19,479 1,480 6.5,481 0.342,482 12.5,483 0.658,484 16.29,485 0.857,486 22.033,487 0.565,488 12.639,489 0.665,490 3.8,491 0.2,492 5.458,493 0.287,494 0.15,496 0.259,501 0.84,502 1.611,503 0.894,504 1.313,505 0.783,506 1.144,507 1.071,508 1.026,509 1.03,510 0.978,511 0.563,512 0.984,513 0.92,514 1.081,515 1.001,516 1.177,517 0.654,518 1.121,519 0.95,520 1.116,521 1.03,522 1.132,523 0.732,524 1.106,525 1.204,526 0.832,527 0.971,528 0.829,529 1.059,530 0.849,531 1.334,532 0.878,533 1.123,534 0.845,535 1.633,536 0.947,537 0.598,538 0.961,539 0.869,540 0.915,541 0.486,542 0.922,543 0.737,544 1.239,545 1.099,546 1.232,547 0.943,548 1.216,549 3,550 0.012,551 2.444,552 1.292,553 0.712,554 0.455,555 0.26,556 0.232,557 0.15,558 0.061,559 3063,560 7795,561 1.995,562 51.3,563 6,564 4,565 4,566 2,567 1,569 3,572 1.603,573 1.869,574 3.032,575 -0.249,577 1,579 1,582 59.634,583 1.529,584 3.353,585 4.343,586 4.753,587 4.907,588 4.907,589 2.42,590 4.143,591 4.222,592 3.154,593 539.273,594 7.192,595 5437.31,596 1,597 1,598 1,599 1,600 206.131,601 1.384,602 4.178,603 0.15,604 0.006,605 0.094,606 0.05,607 0.032,608 0.024,609 0.015,610 0.013,611 0.011,612 0.009,613 0.404,614 0.67,615 1,616 1.21,617 82.817,618 0.094,619 -0.302,620 0.062,621 -0.13,622 0.099,623 -0.06,624 -0.053,625 0.145,626 -0.048,627 0.062,628 -0.022,629 0.017,630 -0.001,631 -0.045,632 -0.046,633 -0.125,634 0.004,635 -0.1,636 0.096,637 -0.158,638 -0.049,639 -0.166,640 0.04,641 -0.14,642 -0.067,643 0.084,644 0.036,645 0.067,646 -0.027,647 0.075,648 -0.092,649 0.061,650 -0.117,651 0.117,652 -0.186,653 0.008,654 -0.027,655 0.062,656 0.052,657 0.097,658 0.024,659 0.092,660 -0.066,661 -0.204,662 -0.169,663 -0.228,664 -0.058,665 -0.215,666 1.203,667 2.659,668 0.579,669 12.609,670 0.999,671 1.14,672 1.751,673 3.065,674 0.626,675 3.045,676 3.296,677 3.555,678 3.738,679 3.761,680 3.638,681 3.689,682 3.738,683 3.714,684 3.584,685 5.039,686 0.589,687 262.37,688 3.045,689 4.533,690 5.361,691 6.209,692 7.055,693 7.908,694 8.76,695 9.614,696 10.468,697 11.324,698 7.7,706 1,707 1,708 1,715 2,720 1,721 2,722 5,726 1,741 39,743 7,745 20,747 40,748 14,749 3,752 1,756 2,757 2,767 5,768 1,770 5,771 2,772 4,773 8,774 1,777 1,784 1,785 1,789 1,790 1,793 20,794 3,795 1,796 5,799 1,802 3,803 1,808 1,809 2,828 1,829 1,836 1,837 1,857 1,858 1,859 2,864 1,868 19,875 1,876 5,878 1,880 2,885 1,886 1,891 1,893 5.1,897 1,898 1,901 10.167,902 7.017,903 4.5,904 2.389,907 1.327,908 1.217,909 0.896,910 5.003,911 7.454,912 3.277,913 3.695,914 4.18,915 4.633,916 4.712,917 4.713,918 4.876,919 4.993,920 5.093,921 5.142,922 1,923 26,924 6.977,926 2.812,927 0.026,929 7.754,931 13.484,933 10.792,936 2.254,937 42.833,938 0.001,941 223.651,942 92.52,943 17.046,945 53.806,948 92.52,949 277.456,950 17.046,951 8.396,952 14.302,953 9.047,954 47.817,955 67,956 87.436,957 153.024,959 223.651,960 109.566,961 53.806,964 188.338,965 78.119,966 11,968 40.824,969 40.765,970 27.977,972 223.651,973 70.851,974 92.52,977 223.651,978 16.63,979 39.337,980 17.031,981 90.374,982 223.651,983 70.851,984 92.52,986 0.555,987 0.342,988 0.189,989 0.091,990 11,991 5,992 0.1,993 4,995 1,996 3.139,997 129.477,999 11,1000 80.711,1005 14.105,1006 6.739,1007 3.37,1009 67.053,1010 3.782,1015 0.774,1016 3.754,1017 42.806,1018 387.022,1019 25.5,1026 1.392,1027 3.071,1031 38.971,1032 44.443,1034 0.289,1035 0.634,1036 0.822,1037 0.899,1038 0.928,1039 0.928,1040 4.503,1041 0.699,1042 5.313,1043 1.716,1044 3.97,1045 4.376,1046 2.189,1047 6.089,1048 3.851,1049 5.663,1050 0.446,1051 6.853,1052 1.426,1053 3.434,1054 3.98,1056 6.986,1057 3.235,1058 6.937,1059 -0.101,1060 8.502,1061 0.702,1062 5.517,1063 6.398,1064 2.993,1065 10.056,1066 5.273,1067 8.247,1068 -0.531,1069 10.215,1070 -0.184,1071 5.889,1072 7.001,1074 11.816,1075 5.556,1076 9.595,1077 -0.841,1078 11.971,1079 -1.01,1080 7.382,1081 8.8,1082 3.938,1083 14.369,1084 7.009,1085 10.969,1086 -0.883,1087 13.754,1088 -1.617,1089 8.161,1090 9.863,1092 16.446,1093 7.7,1094 12.365,1095 -1.163,1096 15.556,1097 -2.008,1098 9.416,1099 11.421,1100 4.951,1101 18.826,1102 8.908,1103 3.03,1104 -1.572,1105 17.372,1106 -3.022,1107 10.372,1108 12.685,1110 21.025,1111 9.78,1112 2.827,1113 10.008,1114 19.196,1115 -4.07,1116 11.53,1117 14.149,1118 5.992,1119 23.343,1120 10.883,1121 1.912,1122 8.977,1123 21.027,1124 4.086,1125 12.562,1126 15.496,1128 25.591,1129 11.833,1130 1.584,1131 5.435,1132 22.864,1133 2.957,1134 13.68,1135 16.925,1136 7.044,1137 27.888,1138 12.889,1139 1.519,1140 4.211,1141 24.704,1142 2.335,1143 14.745,1144 18.307,1146 30.157,1147 13.875,1148 1.455,1149 3.581,1150 26.547,1151 2.128,1152 15.848,1153 19.723,1154 8.099,1155 32.448,1156 14.909,1157 0.867,1158 3.049,1159 28.393,1160 1.851,1161 16.928,1162 21.12,1164 34.727,1165 15.911,1166 3157,1167 5117,1168 13.118,1169 24.398,1170 30.452,1171 31.332,1172 30.537,1173 28.706,1174 28.677,1175 34.995,1176 5.476,1177 78.207,1178 27.001,1179 5.4,1180 5.631,1181 6.231,1182 5.049,1183 5.03,1184 6.794,1185 3.394,1186 16.529,1187 4.783,1188 9.272,1189 1.523,1190 1.567,1191 1.527,1192 1.435,1193 1.434,1194 1.75,1195 0.274,1196 3.91,1197 1.35,1198 4.034,1199 4.096,1200 3.984,1201 3.83,1202 6.546,1203 3.856,1204 3.873,1205 3.921,1206 3.76,1207 3.754,1208 5.427,1209 3.754,1210 3.328,1211 3.387,1212 3.196,1213 3.234,1214 4.863,1215 3.218,1216 3.295,1217 3.359,1218 3.181,1219 3.033,1220 4.5,1221 3.047,1222 3.25,1223 3.315,1224 3.13,1225 2.953,1226 4.056,1227 2.987,1228 3.078,1229 3.173,1230 2.855,1231 2.873,1232 4.036,1233 2.854,1234 2.895,1235 2.983,1236 2.662,1237 2.694,1238 3.755,1239 2.675,1240 2.731,1241 2.826,1242 2.491,1243 2.55,1244 3.42,1245 2.523,1246 0.22,1247 0.182,1248 0.324,1249 0.197,1250 0.151,1251 4.4,1252 0.204,1253 3.631,1254 0.085,1255 6.472,1256 0.5,1257 3.947,1258 0.139,1259 3.03,1260 4.086,1261 1.697,1262 10.008,1263 2.783,1264 1.882,1265 1.839,1266 2.081,1267 2.029,1268 1.462,1269 2.046,1270 1.64,1271 1.574,1272 1.796,1273 1.899,1274 0.935,1275 1.87,1276 1.539,1277 1.472,1278 1.723,1279 1.775,1280 0.839,1281 1.768,1282 1.346,1283 1.298,1284 1.567,1285 1.482,1286 0.81,1287 1.512,1288 1.159,1289 1.092,1290 1.467,1291 1.449,1292 0.744,1293 1.436,1294 1.045,1295 0.958,1296 1.343,1297 1.35,1298 0.357,1299 1.36,1300 0.909,1301 0.826,1302 1.254,1303 1.161,1304 0.311,1305 1.202,1306 0.777,1307 0.686,1308 1.127,1309 1.021,1311 1.058,1312 3.714,1314 4.977,1315 2.398,1316 6.444,1317 4.727,1318 8.004,1319 6.783,1320 9.609,1322 1.887,1327 8.659,1328 4.852,1330 5.937,1332 0.346,1337 5.549,1339 2.829,1340 22.972,1341 59.634,1342 130.772,1343 169.376,1344 185.376,1345 191.376,1346 191.376,1347 31.246,1348 6.127,1349 50.63,1350 50.63,1351 11,1352 11.878,1353 3,1354 2.7,1355 33.64,1356 58,1357 52,1358 0.294,1359 145.479,1360 253.84,1361 346.728,1362 3106,1364 13.665,1365 0.719,1366 0.592,1367 13.665,1368 11.25,1369 9.258,1370 0.463,1371 0.333,1372 6.528,1373 8.764,1374 6.385,1375 5.329,1376 9.258,1377 6.653,1378 7.557,1379 0.291,1380 0.192,1381 7.557,1382 4.989,1383 6.45,1384 0.19,1385 0.111,1386 6.45,1387 3.758,1388 5.212,1389 0.127,1390 0.064,1391 5.212,1392 2.629,1393 3.738,1394 0.089,1395 0.04,1396 3.738,1397 1.698,1398 0.454,1399 58.999,1400 0.276,1401 19.031,1402 0.819,1403 92,1404 263.508,1405 102.699,1406 251.917,1407 334.18,1408 234,1409 106,1410 240.769,1411 118.005,1412 241.663,1413 341.55,1414 224,1415 4.693}
{0 CHEMBL356385,1 1.337,2 12.76,3 6.005,4 36.061,5 104.031,6 6.045,7 0.24,8 4.062,9 4.205,10 3.424,11 3.535,12 5.056,13 3.47,14 4.631,15 4.864,16 3.686,17 3.875,18 5.531,19 3.77,20 4.869,21 5.116,22 3.745,23 4.052,24 5.714,25 3.915,26 5.034,27 5.309,28 3.712,29 4.083,30 5.894,31 3.923,32 4.974,33 5.256,34 3.684,35 4.033,36 5.853,37 3.88,38 4.843,39 5.092,40 3.645,41 3.979,42 5.78,43 3.832,44 4.858,45 5.134,46 3.528,47 3.907,48 5.727,49 3.752,50 4.685,51 4.928,52 3.409,53 3.775,54 5.662,55 3.621,56 0.058,57 0.759,58 13.822,59 5.42,60 10.956,61 7.88,62 0.409,63 1.162,64 24.289,65 8.169,66 30.392,67 12.433,68 0.229,69 1.392,70 30.027,71 10.867,72 28.695,73 16.035,74 0.366,75 1.484,76 35.157,77 12.071,78 52.135,79 17.799,80 0.347,81 1.417,82 33.049,83 11.168,84 50.89,85 16.691,86 0.313,87 1.307,88 29.361,89 10.372,90 43.343,91 15.25,92 0.341,93 1.237,94 29.57,95 9.944,96 45.189,97 14.681,98 0.349,99 1.063,100 25.25,101 8.81,102 46.315,103 12.626,104 60,105 31,106 0.224,107 0.517,108 0.767,109 0.867,110 0.879,111 0.879,112 3.265,113 1.096,114 -4.93,115 -4.84,116 -4.54,121 36.8,122 2,123 5,126 2,127 2,129 1,142 1,143 1,144 4,145 1,146 1,161 1,176 10,179 3,180 6,187 10,192 5,200 6,206 11,214 6,219 8,227 4,231 1,232 9,239 6,244 2,251 7,255 2,256 5,264 8,269 1,277 7,281 1059,282 16.552,283 16.552,284 16.552,285 16.552,286 16.552,287 15.491,288 19.232,289 10.392,290 16.89,291 12.249,292 12.249,293 12.249,294 12.249,295 12.249,296 10.58,297 21.568,298 4.834,299 12.763,300 4.495,301 2.744,302 1.246,303 0.649,304 0.579,305 0.579,306 3.91,312 1,313 620,314 4.69,318 101.071,325 2.07,326 18.426,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 53,338 319,339 4.129,340 3.774,341 5.953,342 3.799,343 2.845,344 3.692,345 2.208,346 8.42,347 2.728,348 3.88,349 3.127,350 5.907,351 3.667,352 2.734,353 3.072,354 1.053,355 8.114,356 2.532,357 3.719,358 2.832,359 5.511,360 3.458,361 2.503,362 2.76,363 0.655,364 7.254,365 2.38,366 3.422,367 2.426,368 4.96,369 2.966,370 2.013,371 2.472,372 0.249,373 5.801,374 1.91,375 3.224,376 2.198,377 4.024,378 2.753,379 1.756,380 1.898,381 0.13,382 3.667,383 1.748,384 2.823,385 2.05,386 3.914,387 2.415,388 1.441,389 1.815,391 3.253,392 1.4,393 2.676,394 1.688,395 3.597,396 2.288,397 1.302,398 1.725,400 2.857,401 1.274,402 2.47,403 1.314,404 3.474,405 2.16,406 1.163,407 1.42,409 2.538,410 1.157,411 2.175,412 1.039,413 2.961,414 1.81,415 0.832,416 0.959,418 1.539,419 0.806,420 1.907,421 1.015,422 2.901,423 1.719,424 0.748,425 0.872,427 1.259,428 0.725,429 1.19,430 0.67,431 2.496,432 1.062,433 0.083,434 0.084,436 0.137,437 0.081,438 1.088,439 0.178,440 2.325,441 0.788,442 -0.202,443 -0.247,445 -0.48,446 -0.198,447 1.027,448 0.003,449 2,450 0.71,451 -0.266,452 -0.326,454 -0.682,455 -0.256,456 0.839,457 -0.303,458 1.756,459 0.365,460 -0.593,461 -0.76,463 -0.919,464 -0.565,465 0.483,466 -0.372,467 1.649,468 0.215,469 -0.758,470 -0.826,472 -1.332,473 -0.733,474 11.967,475 0.479,476 0.527,477 0.021,478 24.75,479 0.99,480 10,481 0.4,482 14.75,483 0.59,484 25.031,485 1.001,486 29.433,487 0.516,488 18.312,489 0.732,490 4.718,491 0.189,492 7.255,493 0.29,494 0.237,496 0.234,501 0.796,502 1.622,503 1.029,504 1.399,505 0.653,506 1.26,507 0.789,508 1.025,509 1.002,510 0.982,511 0.455,512 0.993,513 0.997,514 1.169,515 1.043,516 1.158,517 0.7,518 1.107,519 1.375,520 0.993,521 1.01,522 0.967,523 1.26,524 0.958,525 1.303,526 0.912,527 0.953,528 0.873,529 1.315,530 0.876,531 1.188,532 1.153,533 1.104,534 1.145,535 1.339,536 1.123,537 1.535,538 0.868,539 1.053,540 0.887,541 1.395,542 0.916,543 1.581,544 1.085,545 1.225,546 1.149,547 1.483,548 1.163,549 5,550 0.103,551 2.444,552 1.5,553 1.102,554 0.625,555 0.49,556 0.299,557 0.214,558 0.161,559 6719,560 14157,561 1.867,562 56.1,563 9,564 15,565 1,569 7,572 1.678,573 1.724,574 3.635,575 -0.83,582 76.236,583 1.337,584 3.089,585 4.587,586 5.183,587 5.254,588 5.254,589 3.113,590 4.484,591 4.607,592 3.768,593 1130.42,594 7.959,595 14661.4,600 332.475,601 1.479,602 4.553,603 0.2,604 0.006,605 0.079,606 0.047,607 0.037,608 0.021,609 0.017,610 0.012,611 0.01,612 0.008,613 0.438,614 0.33,615 0.88,616 2.695,617 124.198,618 0.042,619 -0.301,620 0.038,621 -0.158,622 0.001,623 -0.077,624 0.295,625 0.133,626 0.047,627 0.049,628 0.183,629 0.03,630 -0.02,631 -0.099,632 -0.036,633 -0.115,634 0.037,635 -0.078,636 -0.084,637 -0.042,638 0.001,639 0.002,640 -0.044,641 0.008,642 -0.081,643 0.051,644 0.054,645 0.084,646 -0.081,647 0.083,648 -0.004,649 -0.12,650 -0.083,651 -0.123,652 -0.11,653 -0.115,654 -0.145,655 0.09,656 -0.028,657 0.067,658 -0.118,659 0.038,660 -0.042,661 -0.09,662 -0.175,663 -0.143,664 -0.069,665 -0.176,666 1.967,667 5.176,668 0.24,669 27.952,670 0.984,671 1.134,672 3.702,673 13.702,674 0.62,675 3.258,676 3.466,677 3.584,678 3.664,679 3.761,680 3.738,681 3.784,682 3.807,683 3.738,684 3.584,685 7.178,686 0.568,687 344.55,688 3.258,689 4.727,690 5.501,691 6.312,692 7.109,693 7.928,694 8.736,695 9.561,696 10.375,697 11.203,698 3.5,701 1,705 1,715 4,720 2,722 6,737 1,741 57,743 8,744 1,745 25,747 57,748 21,749 6,750 2,751 4,756 1,757 1,763 2,770 6,771 2,772 7,773 12,777 1,782 1,786 1,793 32,794 4,796 4,802 2,808 1,809 2,829 1,836 1,837 1,855 1,859 1,864 4,868 25,876 7,878 1,880 1,881 2,885 1,886 1,891 1,893 3.5,896 1,898 1,901 14.5,902 11.233,903 5.972,904 3.731,907 1.35,908 1.216,909 0.889,910 10.106,911 7.612,912 3.466,913 3.818,914 4.131,915 4.512,916 4.9,917 4.927,918 5.114,919 5.363,920 5.294,921 5.184,922 0.889,923 32,924 9.255,926 3.555,927 0.026,929 7.653,931 18.021,933 13.655,936 2.153,937 53.833,941 376.675,942 144.776,943 6.249,945 36.145,948 144.776,949 412.82,950 6.249,951 34.443,952 20.008,953 37.905,954 25.145,955 22.553,956 58.885,957 364.904,959 376.675,960 151.024,961 36.145,964 294.278,965 118.543,968 40.783,969 93.21,970 17.031,972 376.675,973 42.393,974 144.776,977 376.675,978 32.076,979 78.597,980 17.031,981 59.466,982 376.675,983 42.393,984 144.776,986 0.549,987 0.306,988 0.145,989 0.074,990 9,991 6,992 0.193,993 11,995 1,996 3.696,997 172.978,999 6,1000 116.096,1005 21.381,1006 11.816,1007 8.313,1009 42.393,1010 7.726,1015 1.724,1018 563.844,1019 31,1024 12.176,1028 -0.3,1031 56.112,1032 64.643,1034 0.229,1035 0.53,1036 0.786,1037 0.889,1038 0.901,1039 0.901,1040 4.668,1041 1.163,1042 5.442,1043 2.857,1044 4.143,1045 4.5,1046 2.511,1047 6.129,1048 4.059,1049 5.803,1050 0.832,1051 6.936,1052 2.538,1053 3.611,1054 4.06,1055 1.905,1056 6.804,1057 3.438,1058 7.047,1059 0.748,1060 8.532,1061 1.539,1062 5.617,1063 6.386,1064 3.582,1065 9.828,1066 5.428,1067 8.318,1068 0.083,1069 10.185,1070 1.259,1071 5.889,1072 6.727,1073 3.673,1074 11.276,1075 5.598,1076 9.616,1077 -0.202,1078 11.874,1079 0.137,1080 7.354,1081 8.576,1082 4.969,1083 13.794,1084 7.053,1085 10.932,1086 -0.266,1087 13.585,1088 -0.48,1089 8.005,1090 9.298,1091 5.375,1092 15.566,1093 7.608,1094 12.263,1095 -0.593,1096 15.311,1097 -0.682,1098 9.234,1099 10.932,1100 6.461,1101 17.875,1102 8.819,1103 2.845,1104 -0.758,1105 17.049,1106 -0.919,1107 10.07,1108 11.864,1109 7.029,1110 19.806,1111 9.571,1112 2.734,1113 8.42,1114 18.793,1115 -1.332,1116 11.189,1117 13.382,1118 7.995,1119 22.016,1120 10.665,1121 2.503,1122 8.114,1123 20.544,1124 3.692,1125 12.118,1126 14.441,1127 8.655,1128 24.03,1129 11.522,1130 2.013,1131 7.254,1132 22.298,1133 3.072,1134 13.186,1135 15.888,1136 9.55,1137 26.191,1138 12.557,1139 1.756,1140 5.801,1141 24.057,1142 2.76,1143 14.162,1144 17.03,1145 10.263,1146 28.25,1147 13.47,1148 1.441,1149 3.667,1150 25.817,1151 2.472,1152 15.207,1153 18.43,1154 11.116,1155 30.387,1156 14.478,1157 1.302,1158 3.253,1159 27.58,1160 1.898,1161 16.207,1162 19.626,1163 11.862,1164 32.47,1165 15.422,1166 7175,1167 10567,1168 15.603,1169 35.341,1170 36.051,1171 36.628,1172 36.835,1173 34.901,1174 34.838,1175 41.541,1176 8.59,1177 89.675,1178 33.483,1179 5.063,1180 5.774,1181 5.889,1182 4.873,1183 4.845,1184 6.692,1185 3.912,1186 14.578,1187 4.728,1188 16.049,1189 1.442,1190 1.465,1191 1.473,1192 1.396,1193 1.394,1194 1.662,1195 0.344,1196 3.587,1197 1.339,1198 3.959,1199 3.991,1200 3.892,1201 3.876,1202 7.433,1203 3.874,1204 3.776,1205 3.842,1206 3.642,1207 3.632,1208 5.43,1209 3.617,1210 3.709,1211 3.77,1212 3.596,1213 3.547,1214 4.812,1215 3.551,1216 3.579,1217 3.649,1218 3.444,1219 3.365,1220 4.311,1221 3.374,1222 3.383,1223 3.442,1224 3.248,1225 3.282,1226 4.261,1227 3.266,1228 3.294,1229 3.37,1230 3.112,1231 3.078,1232 4.158,1233 3.079,1234 3.101,1235 3.197,1236 2.896,1237 2.903,1238 4.026,1239 2.887,1240 3.031,1241 3.085,1242 2.83,1243 2.799,1244 3.811,1245 2.793,1246 0.165,1247 0.151,1248 0.238,1249 0.152,1250 0.114,1251 4.129,1252 0.148,1253 3.774,1254 0.088,1255 5.953,1256 0.337,1257 3.799,1258 0.109,1259 2.845,1260 3.692,1261 2.208,1262 8.42,1263 2.728,1264 1.925,1265 1.899,1266 2.054,1267 2.033,1268 1.358,1269 2.04,1270 1.77,1271 1.705,1272 2.026,1273 1.951,1274 1.289,1275 1.977,1276 1.675,1277 1.614,1278 1.876,1279 1.867,1280 1.058,1281 1.874,1282 1.542,1283 1.469,1284 1.819,1285 1.781,1286 1.005,1287 1.796,1288 1.404,1289 1.352,1290 1.657,1291 1.565,1292 0.754,1293 1.599,1294 1.279,1295 1.201,1296 1.619,1297 1.531,1298 0.737,1299 1.567,1300 1.123,1301 1.026,1302 1.489,1303 1.363,1304 0.535,1305 1.411,1306 1.003,1307 0.927,1308 1.367,1309 1.265,1310 0.497,1311 1.281,1312 3.932,1314 5.165,1316 6.575,1318 8.068,1320 9.606,1322 8.118,1328 6.764,1330 5.504,1332 0.322,1333 3.772,1337 5.365,1339 2.66,1340 32.374,1341 76.236,1342 176.093,1343 261.455,1344 295.455,1345 299.455,1346 299.455,1347 71.893,1348 6.261,1349 32.78,1350 32.78,1351 6,1352 11.781,1353 3.17,1354 2.807,1355 71.939,1356 105,1357 125,1358 0.33,1359 208.833,1360 372.34,1361 501.312,1362 3780,1364 18.656,1365 0.746,1366 0.645,1367 18.656,1368 16.125,1369 11.973,1370 0.479,1371 0.365,1372 9.022,1373 11.566,1374 8.62,1375 7.375,1376 11.973,1377 9.131,1378 9.917,1379 0.32,1380 0.215,1381 9.917,1382 6.67,1383 7.501,1384 0.214,1385 0.125,1386 7.501,1387 4.387,1388 5.264,1389 0.139,1390 0.068,1391 5.264,1392 2.579,1393 3.733,1394 0.089,1395 0.037,1396 3.733,1397 1.57,1398 0.532,1399 74.549,1400 0.253,1401 24.991,1402 0.863,1403 112,1404 302.761,1405 122.916,1406 293.143,1407 387.84,1408 272,1409 122,1410 273.487,1411 132.643,1412 280.7,1413 397.38,1414 258,1415 5.514}
{0 CHEMBL357207,1 1.469,2 8.045,3 5.165,4 26.677,5 93.243,6 8.332,7 0.44,8 3.79,9 3.904,10 3.464,11 3.463,12 4.787,13 3.404,14 4.372,15 4.531,16 3.925,17 3.94,18 5.306,19 3.854,20 4.711,21 4.906,22 4.085,23 4.149,24 5.62,25 4.033,26 4.781,27 5.002,28 4.217,29 4.118,30 5.79,31 3.988,32 4.742,33 4.991,34 3.783,35 4.005,36 5.605,37 3.839,38 4.643,39 4.919,40 3.74,41 3.869,42 5.438,43 3.674,44 4.406,45 4.649,46 3.434,47 3.641,48 5.309,49 3.422,50 4.033,51 4.304,52 3.211,53 3.248,54 4.928,55 3.03,56 0.027,57 0.538,58 7.257,59 3.591,60 6.298,61 4.923,62 0.042,63 0.931,64 15.395,65 7.07,66 11.206,67 9.711,68 0.139,69 1.273,70 26.918,71 10.121,72 20.533,73 13.712,74 0.349,75 1.359,76 33.275,77 10.678,78 44.774,79 14.588,80 0.262,81 1.313,82 30.357,83 10.137,84 36.458,85 13.774,86 0.191,87 1.091,88 29.813,89 10.599,90 28.08,91 14.559,92 0.252,93 0.8,94 31.68,95 8.403,96 34.637,97 10.835,98 0.156,99 0.554,100 19.745,101 5.646,102 21.505,103 7.411,104 18,105 38,106 0.261,107 0.645,108 0.811,109 0.88,110 0.88,111 0.88,112 3.149,113 1.03,114 -5.6,115 -5.47,116 -5.11,121 45,122 1,123 4,124 2,137 1,138 1,144 2,145 2,146 3,148 2,165 1,166 1,167 1,176 10,180 4,185 2,187 22,189 2,192 2,197 1,200 12,203 1,206 6,208 1,209 1,211 6,214 17,216 6,219 1,224 2,227 9,229 2,232 1,237 3,239 13,241 3,244 1,249 1,251 8,253 1,264 8,277 4,281 500,282 14.782,283 14.782,284 14.782,285 14.782,286 14.782,287 13.164,288 16.295,289 8.313,290 15.093,291 12.3,292 12.3,293 12.3,294 12.3,295 12.3,296 9.713,297 15.805,298 3.91,299 12.907,300 3.853,301 1.69,302 0.757,303 0.369,304 0.369,305 0.369,306 3.845,308 2,311 1,312 1,313 390,314 2.449,318 140.623,320 47.373,322 113.907,324 68.827,325 1.24,326 18.682,329 0.75,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.86,337 45.667,338 177,339 4.728,340 3.538,341 7.018,342 4.317,343 3.34,344 4.67,345 0.68,346 11.958,347 3.265,348 4.212,349 3.236,350 6.434,351 3.9,352 2.928,353 3.689,355 9.908,356 2.838,357 3.856,358 2.89,359 5.611,360 3.468,361 2.495,362 3.166,364 7.64,365 2.42,366 3.599,367 2.709,368 5.419,369 3.216,370 2.254,371 3.013,373 6.931,374 2.178,375 3.435,376 2.48,377 5.119,378 3.003,379 2.085,380 2.774,382 6.121,383 1.876,384 3.153,385 2.317,386 5.023,387 2.941,388 1.988,389 2.252,391 5.853,392 1.851,393 2.936,394 2.015,395 4.844,396 2.669,397 1.701,398 1.983,400 5.182,401 1.605,402 2.772,403 1.813,404 4.644,405 2.437,406 1.546,407 1.803,409 4.396,410 1.287,411 1.593,412 0.678,413 3.451,414 1.436,415 0.436,416 0.461,418 0.745,419 0.436,420 1.467,421 0.593,422 3.104,423 1.203,424 0.241,425 0.282,427 0.641,428 0.219,429 1.343,430 0.297,431 2.838,432 0.95,438 1.07,439 0.276,440 2.796,441 0.714,442 -0.165,443 -0.197,445 -0.44,446 -0.126,447 0.839,448 0.104,449 2.638,450 0.456,451 -0.459,452 -0.556,454 -1.201,455 -0.293,456 0.505,457 -0.453,458 2.429,459 0.242,460 -0.65,461 -0.701,463 -1.617,464 -0.532,465 0.326,466 -0.56,467 2.157,468 0.105,469 -0.818,470 -0.927,472 -2.218,473 -0.774,474 11.229,475 0.51,476 0.695,477 0.032,478 25.25,479 1.148,480 11.5,481 0.523,482 13.75,483 0.625,484 22.825,485 1.037,486 22.971,487 0.574,488 14.981,489 0.681,490 4.149,491 0.189,492 6.414,493 0.292,494 0.207,496 0.445,501 0.66,502 0.996,503 0.559,504 0.763,505 0.799,506 0.801,507 0.536,508 1.092,509 0.559,510 0.839,511 0.455,512 0.851,513 0.838,514 1.144,515 0.81,516 0.972,517 0.828,518 0.974,519 0.523,520 1.176,521 0.611,522 0.967,523 0.566,524 0.972,525 1.091,526 0.972,527 0.883,528 0.939,529 1.233,530 1.032,531 0.539,532 0.932,533 0.665,534 0.864,535 0.576,536 0.882,537 1.652,538 0.922,539 1.659,540 1.241,541 1.638,542 1.186,543 1.404,544 0.751,545 1.221,546 0.874,547 1.359,548 0.911,549 5.5,550 0.029,551 2,552 2.75,553 1.813,554 1.139,555 0.423,556 0.349,557 0.135,558 0.061,559 4423,560 11427,561 2.12,562 45,563 11,564 3,567 2,568 2,572 1.651,573 1.941,574 2.966,575 0.259,582 58.76,583 1.469,584 3.632,585 4.565,586 4.953,587 4.953,588 4.953,589 2.495,590 4.152,591 4.431,592 3.053,593 705.32,594 7.643,595 7207.32,600 212.877,601 1.495,602 4.373,603 0.22,604 0.014,605 0.053,606 0.065,607 0.046,608 0.041,609 0.018,610 0.022,611 0.012,612 0.012,613 0.504,614 0.67,615 0.88,616 0.853,617 97.51,618 -0.06,619 0.122,620 0.006,621 0.089,622 -0.088,623 0.08,624 0.05,625 -0.053,626 0.082,627 0.059,628 0.139,629 0.078,630 -0.036,631 -0.122,632 -0.019,633 -0.048,634 -0.041,635 -0.033,636 0.357,637 -0.147,638 0.195,639 -0.045,640 0.364,641 -0.03,642 -0.18,643 0.073,644 -0.092,645 -0.023,646 -0.211,647 -0.093,648 0.18,649 -0.024,650 0.19,651 0.132,652 0.182,653 0.142,654 -0.277,655 -0.018,656 -0.287,657 -0.182,658 -0.33,659 -0.174,660 -0.13,661 0.169,662 0.035,663 0.172,664 -0.129,665 0.108,666 1.07,667 2.526,668 0.773,669 13.769,670 0.995,671 1.116,672 4.372,673 19.112,674 0.714,675 3.258,676 3.664,677 4.007,678 4.394,679 4.691,680 4.92,681 5.069,682 5.293,683 5.361,684 5.464,685 4.632,686 0.661,687 333.28,688 3.258,689 4.844,690 5.74,691 6.673,692 7.584,693 8.525,694 9.441,695 10.385,696 11.304,697 12.249,698 5,702 1,708 1,714 2,715 2,716 1,720 5,722 11,733 1,740 2,741 40,743 12,744 1,745 25,747 43,748 18,749 9,750 4,751 2,756 4,757 10,758 2,763 1,767 3,768 2,770 4,772 11,773 7,774 2,777 1,784 1,786 1,793 18,794 2,795 2,796 4,797 2,802 2,808 0.25,822 1,829 4,831 1,833 2,835 1,849 1,850 1,859 1,864 1,865 2,868 22,869 1,876 4,880 2,892 2,901 11.333,902 7.486,903 4.667,904 2.72,907 2.755,908 1.359,909 1.028,910 3.444,911 10.418,912 3.481,913 4.167,914 4.81,915 5.474,916 6.082,917 6.547,918 6.947,919 7.43,920 7.791,921 8.029,922 0.833,923 42,924 8.161,926 3.625,927 0.026,929 7.556,931 16.087,933 14.371,936 2.056,937 45.222,938 0.001,940 1,941 188.338,942 70.995,943 49.683,944 78.297,948 70.995,949 266.635,950 49.683,951 8.825,952 10.138,953 61.326,954 16.786,955 23.603,957 188.338,958 78.297,959 188.338,960 120.678,962 78.297,964 188.338,968 23.864,969 70.552,970 104.559,972 188.338,973 49.683,974 149.292,977 188.338,978 33.741,979 37.254,981 127.98,982 188.338,983 49.683,984 149.292,986 0.599,987 0.363,988 0.214,989 0.119,990 22,991 10,992 0.023,993 1,994 4,995 1.412,996 3.268,997 193.865,998 0.471,999 16,1000 96.107,1005 14.498,1006 5.225,1007 2.287,1008 1.671,1009 49.683,1010 3.608,1011 4.853,1015 4.374,1017 32.897,1018 387.313,1019 31.5,1026 2.451,1028 1.55,1031 39.803,1032 44.621,1034 0.276,1035 0.682,1036 0.858,1037 0.931,1038 0.931,1039 0.931,1040 4.777,1041 1.546,1042 5.771,1043 5.182,1044 4.344,1045 4.852,1046 0.655,1047 6.671,1048 4.257,1049 6.024,1050 0.436,1051 7.382,1052 4.396,1053 4.111,1054 4.89,1056 7.689,1057 3.951,1058 7.374,1059 0.241,1060 9.087,1061 0.745,1062 6.023,1063 7.151,1064 0.356,1065 10.854,1066 5.892,1067 8.754,1069 10.845,1070 0.641,1071 6.538,1072 7.971,1074 12.682,1075 6.355,1076 10.165,1077 -0.165,1078 12.639,1080 7.984,1081 9.777,1082 0.18,1083 15.393,1084 7.814,1085 11.597,1086 -0.459,1087 14.459,1088 -0.44,1089 8.86,1090 10.977,1092 17.59,1093 8.653,1094 13.047,1095 -0.65,1096 16.299,1097 -1.201,1098 10.13,1099 12.611,1100 0.087,1101 20.14,1102 9.922,1103 3.34,1104 -0.818,1105 18.156,1106 -1.617,1107 11.178,1108 13.994,1110 22.495,1111 10.94,1112 2.928,1113 11.958,1114 20.028,1115 -2.218,1116 12.387,1117 15.563,1118 0.041,1119 24.99,1120 12.137,1121 2.495,1122 9.908,1123 21.911,1124 4.67,1125 13.513,1126 17.031,1128 27.412,1129 13.238,1130 2.254,1131 7.64,1132 23.804,1133 3.689,1134 14.703,1135 18.578,1136 0.019,1137 29.889,1138 14.412,1139 2.085,1140 6.931,1141 25.705,1142 3.166,1143 15.865,1144 20.084,1146 32.34,1147 15.55,1148 1.988,1149 6.121,1150 27.613,1151 3.013,1152 17.053,1153 21.624,1154 0.009,1155 34.814,1156 16.719,1157 1.701,1158 5.853,1159 29.526,1160 2.774,1161 18.231,1162 23.148,1164 37.278,1165 17.875,1166 4251,1167 7001,1168 16.531,1169 28.58,1170 38.466,1171 39.046,1172 40.532,1173 38.399,1174 38.029,1175 48.183,1176 1.36,1177 118.746,1178 35.953,1179 5.682,1180 5.538,1181 6.551,1182 5.36,1183 5.34,1184 7.67,1185 1.36,1186 19.563,1187 5.265,1188 11.261,1189 1.539,1190 1.562,1191 1.621,1192 1.536,1193 1.521,1194 1.927,1195 0.054,1196 4.75,1197 1.438,1198 4.139,1199 4.164,1200 4.198,1201 4.078,1202 5.184,1203 4.078,1204 3.884,1205 3.914,1206 3.891,1207 3.828,1208 4.927,1209 3.816,1210 3.537,1211 3.591,1212 3.622,1213 3.444,1214 4.622,1215 3.432,1216 3.314,1217 3.377,1218 3.517,1219 3.19,1220 4.612,1221 3.175,1222 3.216,1223 3.291,1224 3.214,1225 3.065,1226 4.399,1227 3.052,1228 3,1229 3.072,1230 3.066,1231 2.884,1232 3.973,1233 2.866,1234 2.907,1235 2.993,1236 2.85,1237 2.762,1238 3.704,1239 2.738,1240 2.759,1241 2.84,1242 2.736,1243 2.582,1244 3.593,1245 2.558,1246 0.189,1247 0.142,1248 0.281,1249 0.173,1250 0.134,1251 4.728,1252 0.187,1253 3.538,1254 0.027,1255 7.018,1256 0.478,1257 4.317,1258 0.131,1259 3.34,1260 4.67,1261 0.68,1262 11.958,1263 3.265,1264 2.094,1265 2.072,1266 2.182,1267 2.176,1268 1.54,1269 2.18,1270 1.885,1271 1.858,1272 1.979,1273 1.967,1274 1.185,1275 1.984,1276 1.547,1277 1.496,1278 1.799,1279 1.7,1280 1.036,1281 1.74,1282 1.3,1283 1.249,1284 1.518,1285 1.477,1286 0.85,1287 1.485,1288 1.225,1289 1.153,1290 1.457,1291 1.42,1292 0.606,1293 1.457,1294 0.955,1295 0.906,1296 1.278,1297 1.198,1298 0.502,1299 1.207,1300 0.936,1301 0.857,1302 1.189,1303 1.15,1304 0.253,1305 1.199,1306 0.749,1307 0.672,1308 1.042,1309 0.96,1310 0.139,1311 1.002,1312 3.932,1314 5.313,1316 6.907,1318 8.609,1320 10.37,1322 2.231,1323 12.502,1326 6.526,1328 4.376,1332 1.081,1340 26.439,1341 58.76,1342 145.262,1343 182.612,1344 198.122,1345 198.122,1346 198.122,1347 32.787,1348 7.663,1349 38.91,1350 38.91,1351 24,1352 12.746,1353 3.7,1354 2.907,1355 29.713,1356 63,1357 66,1358 0.252,1359 166.549,1360 285.3,1361 398.14,1362 19881,1363 5,1364 15.43,1365 0.701,1366 0.637,1367 16.43,1368 14.008,1369 10.563,1370 0.423,1371 0.343,1372 7.865,1373 9.867,1374 7.576,1375 6.208,1376 11.14,1377 8.586,1378 10.167,1379 0.268,1380 0.192,1381 10.946,1382 7.291,1383 8.741,1384 0.162,1385 0.103,1386 9.287,1387 5.561,1388 8.412,1389 0.105,1390 0.059,1391 9.297,1392 4.714,1393 6.633,1394 0.061,1395 0.032,1396 7.029,1397 3.415,1398 0.373,1399 70.425,1400 0.246,1401 20.821,1402 0.762,1403 126,1404 283.364,1405 160.119,1406 345.915,1407 465.9,1408 322,1409 155,1410 308.387,1411 179.966,1412 336.753,1413 501.9,1414 319,1415 8.857}
{0 CHEMBL357492,1 1.465,2 7.889,3 2.135,4 4.558,5 71.217,6 6.536,7 0.316,8 3.708,9 3.843,10 3.152,11 3.186,12 4.734,13 3.149,14 4.273,15 4.476,16 3.496,17 3.58,18 5.278,19 3.508,20 4.529,21 4.756,22 3.533,23 3.732,24 5.476,25 3.631,26 4.608,27 4.856,28 3.357,29 3.633,30 5.61,31 3.506,32 4.41,33 4.679,34 3.162,35 3.395,36 5.375,37 3.28,38 4.071,39 4.287,40 3.046,41 3.23,42 5.101,43 3.129,44 4.094,45 4.342,46 2.852,47 3.175,48 5.01,49 3.041,50 3.998,51 4.262,52 2.724,53 3.063,54 5.006,55 2.904,56 0.031,57 0.533,58 9.053,59 3.526,60 7.561,61 5.035,62 0.317,63 0.83,64 16.619,65 5.818,66 25.209,67 8.564,68 0.17,69 0.995,70 21.406,71 7.464,72 24.527,73 10.92,74 0.307,75 0.939,76 23.818,77 7.507,78 49.309,79 10.959,80 0.296,81 0.751,82 19.674,83 5.758,84 41.21,85 8.63,86 0.183,87 0.606,88 13.671,89 4.498,90 23.018,91 6.591,92 0.182,93 0.589,94 14.053,95 4.434,96 24.169,97 6.627,98 0.208,99 0.538,100 12.708,101 4.104,102 32.032,103 6.183,104 21,105 26,106 0.27,107 0.608,108 0.82,109 0.873,110 0.873,111 0.873,112 2.96,113 1.011,114 -3.35,115 -3.33,116 -3.19,121 36.8,122 1,123 3,126 1,127 1,129 1,144 3,145 2,146 1,161 1,165 1,166 1,167 1,176 7,179 3,180 3,185 2,187 10,189 2,192 2,197 2,200 8,203 2,206 8,211 2,214 3,216 2,219 5,224 1,229 1,232 5,234 1,235 1,237 1,239 2,241 1,244 2,251 2,256 2,258 2,259 2,264 2,277 1,281 348,282 11.886,283 11.886,284 11.886,285 11.886,286 11.886,287 11.032,288 16.001,289 6.925,290 12.162,291 9.282,292 9.282,293 9.282,294 9.282,295 9.282,296 7.875,297 16.173,298 3.215,299 9.667,300 3.783,301 1.95,302 0.796,303 0.513,304 0.513,305 0.513,306 3.612,310 1,311 1,312 1,313 291,314 3.162,318 89.821,322 76.719,325 1.247,326 16.923,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 39,338 142,339 4.299,340 3.773,341 6.216,342 3.958,343 2.971,344 3.926,345 2.208,346 9.358,347 2.938,348 3.925,349 3.167,350 5.903,351 3.654,352 2.722,353 3.142,354 0.655,355 8.097,356 2.512,357 3.506,358 2.589,359 5.221,360 3.247,361 2.287,362 2.742,363 0.13,364 6.491,365 2.193,366 3.179,367 2.249,368 4.952,369 2.992,370 2.029,371 2.248,373 5.772,374 1.946,375 2.863,376 2.131,377 4.39,378 2.566,379 1.57,380 1.965,382 4.283,383 1.563,384 2.523,385 1.832,386 3.844,387 2.227,388 1.258,389 1.456,391 2.911,392 1.198,393 1.987,394 0.99,395 3.287,396 1.773,397 0.779,398 0.909,400 1.816,401 0.773,402 1.23,403 0.658,404 2.763,405 1.138,406 0.183,407 0.186,409 0.258,410 0.173,411 1.184,412 0.378,413 2.415,414 0.862,415 -0.117,416 -0.14,418 -0.267,419 -0.113,420 0.928,421 0.036,422 2.265,423 0.698,424 -0.277,425 -0.316,427 -0.717,428 -0.269,429 0.604,430 -0.204,431 2.166,432 0.251,433 -0.744,434 -0.887,436 -1.994,437 -0.732,438 0.32,439 -0.693,440 1.81,441 -0.016,442 -1,443 -1.222,445 -2.728,446 -0.981,447 -0.021,448 -0.916,449 1.468,450 -0.211,451 -1.193,452 -1.359,454 -2.831,455 -1.168,456 -0.196,457 -0.986,458 1.285,459 -0.369,460 -1.306,461 -1.468,463 -3.435,464 -1.223,465 -0.449,466 -1.206,467 1.113,468 -0.586,469 -1.537,470 -1.822,472 -4.136,473 -1.459,474 8.467,475 0.47,476 0.489,477 0.027,478 19.25,479 1.069,480 8,481 0.444,482 11.25,483 0.625,484 15.015,485 0.834,486 20.933,487 0.551,488 12.571,489 0.698,490 3.663,491 0.204,492 4.933,493 0.274,494 0.205,496 0.343,501 0.828,502 1.422,503 0.926,504 1.249,505 0.735,506 1.113,507 0.576,508 0.981,509 0.867,510 0.967,511 0.466,512 0.951,513 0.964,514 1.117,515 1.004,516 1.141,517 0.772,518 1.08,519 1.47,520 1.06,521 1.115,522 1.059,523 1.423,524 1.05,525 1.541,526 0.853,527 0.992,528 0.794,529 1.511,530 0.817,531 1.179,532 1.212,533 1.122,534 1.193,535 1.055,536 1.162,537 1.331,538 1.074,539 1.169,540 1.053,541 1.318,542 1.087,543 0.86,544 1.006,545 1.097,546 1.09,547 1.234,548 1.128,549 4.5,550 0.012,551 2.222,552 1,553 1.027,554 0.451,555 0.344,556 0.231,557 0.144,558 0.061,559 2589,560 5949,561 1.963,562 52.6,563 2,564 9,567 2,569 7,572 1.585,573 1.8,574 3.018,575 0.374,577 1,578 1,579 1,582 55.68,583 1.465,584 3.298,585 4.451,586 4.735,587 4.735,588 4.735,589 2.489,590 3.948,591 4.142,592 3.117,593 476.969,594 7.023,595 4508.5,596 1,597 1,599 1,600 199.421,601 1.53,602 4.076,603 0.237,604 0.006,605 0.085,606 0.038,607 0.051,608 0.027,609 0.023,610 0.019,611 0.014,612 0.01,613 0.512,614 0.83,615 1,616 1.641,617 76.466,618 -0.04,619 -0.109,620 0.038,621 -0.049,622 -0.081,623 0.002,624 0.323,625 0.176,626 0.11,627 0.103,628 0.187,629 0.082,630 -0.056,631 -0.052,632 -0.037,633 -0.099,634 -0.004,635 -0.063,636 -0.16,637 -0.137,638 -0.105,639 -0.093,640 -0.1,641 -0.094,642 -0.174,643 0.038,644 0.033,645 0.123,646 -0.13,647 0.108,648 -0.015,649 -0.171,650 -0.124,651 -0.174,652 -0.044,653 -0.171,654 -0.187,655 -0.101,656 -0.176,657 -0.082,658 -0.194,659 -0.124,660 0.075,661 -0.021,662 -0.128,663 -0.133,664 0.09,665 -0.165,666 1.988,667 4.655,668 0.556,669 12.222,670 0.995,671 1.136,672 2.118,673 4.488,674 0.626,675 2.996,676 3.296,677 3.497,678 3.664,679 3.892,680 3.892,681 3.912,682 4.043,683 3.97,684 3.611,685 4.821,686 0.585,687 248.36,688 2.996,689 4.511,690 5.333,691 6.188,692 7.031,693 7.891,694 8.741,695 9.604,696 10.458,697 11.323,698 5.3,699 1,705 1,715 3,720 3,722 6,737 1,741 38,743 7,744 1,745 19,747 39,748 14,749 6,750 3,751 3,756 2,757 3,763 1,767 4,770 4,772 7,773 7,777 1,782 1,786 1,790 1,793 20,794 4,795 2,796 4,802 2,808 0.5,809 2,829 2,833 1,851 1,859 1,864 2,868 18,869 1,876 4,878 1,880 1,881 1,893 5.3,896 1,898 1,901 10,902 7.2,903 4.056,904 2.426,907 1.305,908 1.212,909 0.933,910 4.122,911 7.468,912 3.178,913 3.676,914 4.115,915 4.568,916 5.065,917 5.198,918 5.402,919 5.661,920 5.577,921 5.167,922 1,923 26,924 6.672,926 2.739,927 0.026,929 7.75,931 12.886,933 10.393,936 2.25,937 40.5,938 0.002,941 211.88,942 73.737,943 36.022,945 36.145,948 73.737,949 248.025,950 36.022,951 17.222,952 45.731,953 28.429,954 25.145,955 22.614,956 6.763,957 211.88,959 211.88,960 109.758,961 36.145,964 129.482,965 118.543,968 54.556,969 55.202,972 211.88,973 72.166,974 73.737,977 211.88,978 28.086,979 48.775,981 69.042,982 211.88,983 72.166,984 73.737,986 0.58,987 0.335,988 0.158,989 0.087,990 12,991 6,992 0.077,993 3,994 1,995 1.2,996 2.993,997 122.129,998 0.2,999 10,1000 75.059,1005 13.217,1006 5.613,1007 3.177,1009 72.166,1010 5.836,1015 3.131,1017 32.897,1018 357.783,1019 23,1024 11.655,1028 -0.322,1031 37.811,1032 43.152,1034 0.279,1035 0.628,1036 0.848,1037 0.902,1038 0.902,1039 0.902,1040 4.413,1041 0.183,1042 5.323,1043 1.816,1044 3.97,1045 4.357,1046 2.32,1047 6.089,1048 3.897,1049 5.584,1050 -0.117,1051 6.866,1052 0.258,1053 3.611,1054 4.182,1055 1.847,1056 6.899,1057 3.489,1058 6.87,1059 -0.277,1060 8.501,1061 -0.267,1062 5.533,1063 6.404,1064 3.527,1065 9.923,1066 5.39,1067 8.185,1068 -0.744,1069 10.187,1070 -0.717,1071 5.916,1072 6.979,1073 3.656,1074 11.483,1075 5.726,1076 9.528,1077 -1,1078 11.902,1079 -1.994,1080 7.348,1081 8.754,1082 4.955,1083 14.032,1084 7.147,1085 10.891,1086 -1.193,1087 13.638,1088 -2.728,1089 8.077,1090 9.683,1091 5.37,1092 15.93,1093 7.841,1094 12.268,1095 -1.306,1096 15.389,1097 -2.831,1098 9.304,1099 11.267,1100 6.458,1101 18.291,1102 9.06,1103 2.971,1104 -1.537,1105 17.151,1106 -3.435,1107 10.204,1108 12.384,1109 7.028,1110 20.355,1111 9.935,1112 2.722,1113 9.358,1114 18.921,1115 -4.136,1116 11.341,1117 13.873,1118 7.994,1119 22.634,1120 11.065,1121 2.287,1122 8.097,1123 20.699,1124 3.926,1125 12.326,1126 15.094,1127 8.654,1128 24.78,1129 12.035,1130 2.029,1131 6.491,1132 22.483,1133 3.142,1134 13.423,1135 16.531,1136 9.549,1137 27.026,1138 13.127,1139 1.57,1140 5.772,1141 24.271,1142 2.742,1143 14.452,1144 17.812,1145 10.263,1146 29.212,1147 14.145,1148 1.258,1149 4.283,1150 26.064,1151 2.248,1152 15.533,1153 19.219,1154 11.116,1155 31.445,1156 15.222,1157 0.779,1158 2.911,1159 27.86,1160 1.965,1161 16.584,1162 20.536,1163 11.862,1164 33.651,1165 16.265,1166 2693,1167 4165,1168 12.137,1169 23.773,1170 27.657,1171 28.825,1172 29.363,1173 27.616,1174 27.597,1175 33.149,1176 5.986,1177 77.972,1178 26.595,1179 5.244,1180 5.773,1181 5.76,1182 5.016,1183 4.971,1184 6.926,1185 3.912,1186 15.766,1187 4.938,1188 10.143,1189 1.456,1190 1.517,1191 1.545,1192 1.453,1193 1.452,1194 1.745,1195 0.315,1196 4.104,1197 1.4,1198 4.013,1199 4.042,1200 3.948,1201 3.944,1202 7.433,1203 3.94,1204 3.694,1205 3.756,1206 3.599,1207 3.461,1208 5.012,1209 3.479,1210 3.546,1211 3.608,1212 3.414,1213 3.395,1214 4.777,1215 3.391,1216 3.222,1217 3.292,1218 3.062,1219 3.012,1220 4.284,1221 3.005,1222 3.139,1223 3.229,1224 2.942,1225 2.946,1226 4.119,1227 2.939,1228 2.973,1229 3.032,1230 2.751,1231 2.725,1232 3.769,1233 2.727,1234 2.855,1235 2.949,1236 2.66,1237 2.605,1238 3.729,1239 2.61,1240 2.639,1241 2.708,1242 2.461,1243 2.445,1244 3.612,1245 2.443,1246 0.226,1247 0.199,1248 0.327,1249 0.208,1250 0.156,1251 4.299,1252 0.207,1253 3.773,1254 0.116,1255 6.216,1256 0.493,1257 3.958,1258 0.155,1259 2.971,1260 3.926,1261 2.208,1262 9.358,1263 2.938,1264 1.992,1265 1.965,1266 2.119,1267 2.087,1268 1.419,1269 2.099,1270 1.617,1271 1.553,1272 1.875,1273 1.879,1274 1.039,1275 1.875,1276 1.535,1277 1.474,1278 1.742,1279 1.717,1280 0.912,1281 1.729,1282 1.192,1283 1.117,1284 1.567,1285 1.471,1286 0.75,1287 1.504,1288 1.161,1289 1.076,1290 1.48,1291 1.386,1292 0.623,1293 1.423,1294 0.897,1295 0.847,1296 1.189,1297 1.216,1298 0.281,1299 1.199,1300 0.809,1301 0.733,1302 1.081,1303 1.131,1304 0.138,1305 1.134,1306 0.627,1307 0.563,1308 0.995,1309 0.877,1310 0.114,1311 0.918,1312 3.664,1314 4.963,1316 6.46,1318 8.045,1320 9.677,1322 3.629,1326 5.955,1328 3.545,1330 5.315,1332 0.224,1333 1.533,1340 22.214,1341 55.68,1342 125.308,1343 169.157,1344 179.911,1345 179.911,1346 179.911,1347 30.006,1348 6.163,1349 55.56,1350 55.56,1351 12,1352 11.872,1353 3,1354 2.322,1355 31.057,1356 52,1357 50,1358 0.305,1359 140.148,1360 244.16,1361 333.721,1362 3075,1364 13.121,1365 0.729,1366 0.61,1367 13.121,1368 10.979,1369 8.597,1370 0.452,1371 0.337,1372 6.316,1373 8.258,1374 6.101,1375 5.11,1376 8.597,1377 6.401,1378 7.716,1379 0.297,1380 0.185,1381 7.716,1382 4.816,1383 6.304,1384 0.197,1385 0.107,1386 6.304,1387 3.435,1388 4.6,1389 0.121,1390 0.056,1391 4.6,1392 2.133,1393 3.673,1394 0.077,1395 0.032,1396 3.673,1397 1.546,1398 0.469,1399 53.921,1400 0.287,1401 18.052,1402 0.857,1403 90,1404 252.428,1405 99.862,1406 240.652,1407 324.39,1408 224,1409 103,1410 237.008,1411 111.978,1412 239.017,1413 346.95,1414 223,1415 4.099}
{0 CHEMBL357551,1 1.247,2 16.969,3 5.448,4 29.682,5 134.766,6 5.711,7 0.171,8 4.384,9 4.536,10 3.721,11 3.906,12 5.185,13 3.823,14 5.032,15 5.254,16 4.075,17 4.375,18 5.745,19 4.249,20 5.404,21 5.674,22 4.076,23 4.573,24 6.063,25 4.386,26 5.488,27 5.811,28 3.895,29 4.493,30 6.086,31 4.258,32 5.303,33 5.619,34 3.72,35 4.307,36 5.955,37 4.081,38 5.168,39 5.487,40 3.612,41 4.186,42 5.768,43 3.964,44 5.054,45 5.355,46 3.583,47 4.139,48 5.668,49 3.921,50 5.077,51 5.391,52 3.578,53 4.109,54 5.714,55 3.893,56 0.101,57 1.095,58 19.781,59 7.951,60 10.38,61 11.717,62 0.28,63 1.861,64 36.123,65 13.831,66 22.395,67 20.697,68 0.353,69 2.4,70 49.929,71 18.764,72 34.268,73 28.184,74 0.364,75 2.328,76 51.548,77 19.179,78 41.837,79 28.937,80 0.348,81 1.929,82 43.283,83 15.634,84 41.282,85 23.644,86 0.292,87 1.68,88 37.544,89 13.926,90 29.221,91 20.869,92 0.306,93 1.563,94 33.955,95 13.227,96 25.188,97 19.469,98 0.248,99 1.551,100 34.412,101 12.843,102 30.062,103 19.222,104 11,105 48,106 0.195,107 0.42,108 0.618,109 0.742,110 0.77,111 0.782,112 3.501,113 1.139,114 -5.68,115 -5.54,116 -5.17,121 36.4,123 13,124 3,126 2,127 2,132 1,144 4,145 1,146 1,160 1,176 19,180 3,183 1,185 6,187 25,192 3,197 6,200 16,206 4,211 7,214 9,219 4,224 4,227 9,232 1,237 2,239 13,243 1,244 1,247 1,249 2,251 15,256 1,264 15,269 2,273 1,277 15,281 1932,282 21.637,283 21.637,284 21.637,285 21.637,286 21.637,287 20.783,288 24.838,289 13.142,290 21.845,291 17.362,292 17.362,293 17.362,294 17.362,295 17.362,296 16.015,297 39.514,298 6.375,299 17.663,300 5.019,301 3.583,302 2.319,303 1.527,304 1.345,305 1.267,306 4.2,312 1,313 1194,314 4.743,318 575.421,320 442.831,325 2.725,326 15.437,329 0.75,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.82,337 66.5,338 543,339 4.445,340 3.614,341 7.271,342 4.427,343 3.445,344 3.691,345 1.987,346 13.021,347 3.382,348 4.122,349 3.53,350 5.931,351 3.768,352 2.797,353 3.445,354 0.8,355 8.246,356 2.727,357 3.764,358 2.985,359 5.656,360 3.537,361 2.548,362 3.012,363 0.4,364 7.884,365 2.519,366 3.548,367 2.592,368 5.453,369 3.5,370 2.516,371 2.605,372 0.324,373 7.244,374 2.459,375 3.408,376 2.535,377 5.061,378 3.071,379 2.085,380 2.548,382 6.076,383 2.047,384 3,385 2,386 5.061,387 3,388 2,389 2,391 6.076,392 2,393 3,394 2,395 4.803,396 3,397 2,398 2,400 5.448,401 2,402 2.9,403 1.939,404 3.946,405 2.883,406 1.884,407 1.9,409 3.812,410 1.881,411 2.632,412 1.751,413 3.799,414 2.598,415 1.605,416 1.629,418 3.295,419 1.59,420 2.5,421 1.499,422 3.754,423 2.226,424 1.268,425 1.5,427 2.927,428 1.212,429 2.454,430 1.429,431 3.486,432 2.15,433 1.175,434 1.445,436 2.489,437 1.141,438 2.235,439 1,440 3.414,441 2,442 1,443 1.221,445 2.275,446 1,447 1.764,448 0.989,449 3.396,450 1.698,451 0.729,452 0.743,454 1.553,455 0.703,456 1.278,457 0.673,458 3.396,459 1.203,460 0.237,461 0.241,463 0.529,464 0.228,465 1.227,466 0.419,467 3.12,468 1,474 15.533,475 0.485,476 0.746,477 0.023,478 27.5,479 0.859,480 8,481 0.25,482 19.5,483 0.609,484 40.2,485 1.256,486 37.867,487 0.492,488 15.247,489 0.476,490 3.969,491 0.124,492 11.543,493 0.361,494 0.086,495 0.032,496 0.219,501 0.853,502 1.439,503 1.097,504 1.279,505 0.61,506 1.213,507 0.893,508 1.214,509 1.114,510 1.157,511 0.518,512 1.146,513 1.084,514 1.181,515 1.179,516 1.179,517 0.923,518 1.183,519 0.819,520 0.989,521 0.924,522 0.978,523 0.741,524 0.961,525 1.174,526 0.952,527 1.003,528 0.962,529 1.202,530 0.968,531 1.078,532 0.886,533 0.93,534 0.898,535 1.161,536 0.904,537 0.735,538 0.988,539 0.992,540 1.046,541 0.89,542 1.042,543 0.938,544 0.976,545 0.908,546 0.965,547 0.987,548 0.941,549 7.5,550 0.115,551 2,552 2.063,553 1.036,554 0.625,555 0.363,556 0.299,557 0.18,558 0.143,559 20125,560 31669,561 2.093,562 58.4,563 17,564 14,567 2,568 2,569 10,572 1.73,573 1.99,574 3.966,575 0.084,582 96.048,583 1.247,584 2.684,585 3.948,586 4.74,587 4.922,588 5,589 3.379,590 3.751,591 4.978,592 4.259,593 2112.38,594 8.621,595 36741.7,600 482.543,601 1.355,602 4.94,603 0.214,604 0.005,605 0.042,606 0.047,607 0.03,608 0.022,609 0.013,610 0.011,611 0.007,612 0.006,613 0.397,614 0.33,615 0.75,616 0.633,617 178.24,618 0.018,619 -0.07,620 0.06,621 0.006,622 0.016,623 0.031,624 0.045,625 -0.001,626 -0.027,627 -0.019,628 0.096,629 -0.026,630 -0.101,631 -0.107,632 -0.154,633 -0.136,634 -0.044,635 -0.146,636 0.027,637 -0.059,638 0.025,639 -0.026,640 0.071,641 -0.004,642 -0.053,643 -0.01,644 -0.026,645 -0.019,646 0.004,647 -0.019,648 -0.033,649 0.042,650 0.034,651 0.051,652 -0.021,653 0.048,654 0.131,655 -0.015,656 -0.021,657 -0.047,658 0.023,659 -0.047,660 0.036,661 -0.038,662 0.056,663 -0.002,664 0.083,665 0.025,666 1.529,667 5.139,668 0.5,669 39.102,670 0.976,671 1.135,672 4.446,673 19.765,674 0.616,675 3.584,676 3.892,677 4.094,678 4.382,679 4.615,680 4.718,681 4.762,682 4.736,683 4.263,684 4.248,685 10.305,686 0.556,687 439.76,688 3.584,689 5.118,690 5.943,691 6.819,692 7.664,693 8.555,694 9.413,695 10.316,696 11.183,697 12.095,698 3.9,700 1,704 1,705 1,715 4,720 2,722 6,736 1,741 77,743 7,744 1,745 35,747 80,748 28,749 6,750 2,751 4,756 4,757 8,767 6,768 4,770 13,772 7,773 21,774 4,777 1,782 1,786 1,793 45,794 4,795 2,796 4,802 3,808 0.5,809 1,829 5,831 3,843 1,853 1,859 2,864 2,868 32,876 15,877 2,880 3,881 1,882 1,893 1.3,896 1,901 16.083,902 13.7,903 7.028,904 5.297,907 0.88,908 1.115,909 0.939,910 8.426,911 8.547,912 3.689,913 4.103,914 4.434,915 4.847,916 5.233,917 5.287,918 5.384,919 5.348,920 4.752,921 4.743,922 0.909,923 44,924 11.997,926 5.037,927 0.026,929 7.336,931 24.656,933 21.606,936 1.836,937 58.75,941 506.157,942 102.505,943 39.146,945 25.145,948 102.505,949 531.302,950 39.146,951 16.793,952 55.171,953 55.916,954 29.85,955 9.067,957 506.157,959 506.157,960 141.651,961 25.145,964 388.446,965 142.856,968 73.182,969 68.469,972 506.157,973 64.291,974 102.505,977 506.157,978 47.807,979 57.822,980 36.022,981 25.145,982 506.157,983 64.291,984 102.505,986 0.573,987 0.313,988 0.167,989 0.091,990 22,991 9,992 0.163,993 13,994 6,995 1.5,996 4.714,997 261.377,998 0.75,999 12,1000 139.735,1005 23.921,1006 11.271,1007 6.892,1009 64.291,1010 8.239,1015 2.243,1017 36.022,1018 672.953,1019 39,1024 12.139,1028 0.137,1031 75.188,1032 87.424,1034 0.199,1035 0.428,1036 0.63,1037 0.756,1038 0.785,1039 0.798,1040 4.959,1041 1.884,1042 5.932,1043 5.448,1044 4.575,1045 4.787,1046 2.225,1047 6.735,1048 4.544,1049 6.09,1050 1.605,1051 7.479,1052 3.812,1053 4.205,1054 4.477,1055 1.668,1056 7.865,1057 4.15,1058 7.364,1059 1.268,1060 9.138,1061 3.295,1062 6.192,1063 6.663,1064 3.123,1065 10.902,1066 6.128,1067 8.663,1068 1.175,1069 10.872,1070 2.927,1071 6.648,1072 7.129,1073 3.181,1074 12.959,1075 6.551,1076 10.001,1077 1,1078 12.658,1079 2.489,1080 8.136,1081 8.857,1082 4.315,1083 15.62,1084 8.032,1085 11.363,1086 0.729,1087 14.486,1088 2.275,1089 9,1090 9.679,1091 4.656,1092 18.027,1093 8.865,1094 12.746,1095 0.237,1096 16.345,1097 1.553,1098 10.301,1099 11.219,1100 5.602,1101 20.606,1102 10.155,1103 3.445,1105 18.23,1106 0.529,1107 11.365,1108 12.221,1109 6.091,1110 23.125,1111 11.193,1112 2.797,1113 13.021,1114 20.135,1116 12.603,1117 13.668,1118 6.927,1119 25.691,1120 12.417,1121 2.548,1122 8.246,1123 22.056,1124 3.691,1125 13.758,1126 14.772,1127 7.501,1128 28.243,1129 13.55,1130 2.516,1131 7.884,1132 23.991,1133 3.445,1134 14.981,1135 16.166,1136 8.273,1137 30.808,1138 14.756,1139 2.085,1140 7.244,1141 25.936,1142 3.012,1143 16.177,1144 17.332,1145 8.894,1146 33.37,1147 15.933,1148 2,1149 6.076,1150 27.889,1151 2.605,1152 17.4,1153 18.693,1154 9.631,1155 35.935,1156 17.139,1157 2,1158 6.076,1159 29.849,1160 2.548,1161 18.616,1162 19.899,1163 10.279,1164 38.5,1165 18.336,1166 18746,1167 23628,1168 23.633,1169 47.461,1170 51.125,1171 52.287,1172 52.867,1173 50.579,1174 50.579,1175 55.957,1176 7.022,1177 141.747,1178 49.778,1179 5.445,1180 5.614,1181 7.192,1182 5.445,1183 5.445,1184 6.691,1185 3.497,1186 19.837,1187 5.382,1188 14.022,1189 1.461,1190 1.494,1191 1.51,1192 1.445,1193 1.445,1194 1.599,1195 0.201,1196 4.05,1197 1.422,1198 4.082,1199 4.13,1200 3.976,1201 3.993,1202 7.429,1203 3.982,1204 3.954,1205 3.99,1206 3.887,1207 3.877,1208 4.747,1209 3.875,1210 3.788,1211 3.853,1212 3.635,1213 3.662,1214 4.5,1215 3.644,1216 3.647,1217 3.716,1218 3.521,1219 3.467,1220 4.24,1221 3.465,1222 3.524,1223 3.598,1224 3.377,1225 3.332,1226 4.195,1227 3.338,1228 3.404,1229 3.49,1230 3.243,1231 3.198,1232 4.133,1233 3.195,1234 3.29,1235 3.36,1236 3.129,1237 3.102,1238 3.947,1239 3.1,1240 3.228,1241 3.304,1242 3.039,1243 3.096,1244 3.683,1245 3.073,1246 0.127,1247 0.103,1248 0.208,1249 0.126,1250 0.098,1251 4.445,1252 0.105,1253 3.614,1254 0.057,1255 7.271,1256 0.372,1257 4.427,1258 0.097,1259 3.445,1260 3.691,1261 1.987,1262 13.021,1263 3.382,1264 2.065,1265 2.022,1266 2.235,1267 2.18,1268 1.701,1269 2.201,1270 1.93,1271 1.901,1272 2.054,1273 2.035,1274 1.405,1275 2.042,1276 1.796,1277 1.734,1278 2.037,1279 1.959,1280 1.217,1281 1.99,1282 1.628,1283 1.559,1284 1.885,1285 1.84,1286 1.181,1287 1.855,1288 1.491,1289 1.423,1290 1.754,1291 1.728,1292 0.969,1293 1.743,1294 1.382,1295 1.299,1296 1.666,1297 1.626,1298 0.947,1299 1.645,1300 1.273,1301 1.203,1302 1.562,1303 1.496,1304 0.947,1305 1.515,1306 1.262,1307 1.192,1308 1.562,1309 1.445,1310 0.878,1311 1.489,1312 4.263,1314 5.572,1316 7.084,1318 8.714,1320 10.415,1322 4.059,1328 19.098,1329 7.113,1332 3.119,1333 2.073,1334 0.529,1340 42.842,1341 96.048,1342 206.637,1343 303.974,1344 364.994,1345 378.994,1346 384.994,1347 59.216,1348 7.668,1349 44.37,1350 44.37,1351 24,1352 12.619,1353 3,1354 2.322,1355 52.821,1356 206,1357 162,1358 0.119,1359 262.452,1360 463.85,1361 632.143,1362 29151,1364 22.391,1365 0.7,1366 0.641,1367 22.391,1368 20.504,1369 15.512,1370 0.443,1371 0.38,1372 13.201,1373 15.185,1374 12.808,1375 10.676,1376 15.512,1377 13.293,1378 14.15,1379 0.295,1380 0.236,1381 14.15,1382 11.334,1383 10.889,1384 0.185,1385 0.14,1386 10.889,1387 8.281,1388 9.427,1389 0.119,1390 0.089,1391 9.427,1392 7.025,1393 7.38,1394 0.074,1395 0.054,1396 7.38,1397 5.372,1398 0.204,1399 95.272,1400 0.206,1401 31.712,1402 0.285,1403 166,1404 302.046,1405 173.737,1406 299.668,1407 411.94,1408 282,1409 190,1410 299.129,1411 197.323,1412 309.793,1413 445.22,1414 290,1415 4}
{0 CHEMBL357843,1 1.471,2 8.684,3 2.696,4 7.269,5 75.098,6 6.196,7 0.25,8 3.834,9 3.975,10 3.236,11 3.239,12 4.837,13 3.2,14 4.42,15 4.641,16 3.516,17 3.647,18 5.231,19 3.567,20 4.689,21 4.939,22 3.533,23 3.816,24 5.44,25 3.68,26 4.792,27 5.07,28 3.463,29 3.769,30 5.566,31 3.606,32 4.726,33 5.036,34 3.324,35 3.603,36 5.518,37 3.455,38 4.543,39 4.82,40 3.146,41 3.515,42 5.389,43 3.358,44 4.4,45 4.698,46 3.085,47 3.473,48 5.072,49 3.306,50 4.336,51 4.617,52 3.012,53 3.41,54 5.121,55 3.245,56 0.092,57 0.599,58 11.031,59 3.822,60 14.092,61 5.775,62 0.267,63 0.921,64 19.768,65 6.219,66 17.56,67 9.587,68 0.274,69 1.072,70 25.282,71 8.517,72 22.013,73 12.771,74 0.432,75 1.054,76 28.2,77 8.245,78 31.617,79 13.128,80 0.422,81 0.896,82 26.361,83 6.892,84 37.388,85 11.294,86 0.457,87 0.804,88 22.106,89 6.229,90 42.39,91 9.828,92 0.186,93 0.785,94 18.499,95 5.736,96 16.672,97 9.296,98 0.174,99 0.736,100 17.527,101 5.346,102 19.652,103 8.64,104 12,105 26,106 0.264,107 0.528,108 0.743,109 0.803,110 0.834,111 0.834,112 3.009,113 1.073,114 -3.07,115 -3.07,116 -2.95,121 32.6,122 1,123 5,124 1,126 1,128 1,129 1,147 1,153 1,157 1,163 1,172 1,176 6,180 2,182 2,187 7,191 1,192 2,194 1,200 5,205 1,206 2,209 1,213 1,214 2,216 2,218 1,219 1,227 1,229 2,232 2,235 1,241 2,244 4,253 1,256 4,261 2,269 3,274 2,281 416,282 12.905,283 12.905,284 12.905,285 12.905,286 12.905,287 11.885,288 14.196,289 7.898,290 13.322,291 9.815,292 9.815,293 9.815,294 9.815,295 9.815,296 8.501,297 20.831,298 3.634,299 10.427,300 3.956,301 2.484,302 1.29,303 0.954,304 0.779,305 0.779,306 3.666,310 1,311 1,312 1,313 340,314 3,317 58.102,318 67.283,325 1.208,326 10.809,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 41.5,338 165,339 4.399,340 3.631,341 6.471,342 3.944,343 3.028,344 4.086,345 1.697,346 10.006,347 2.775,348 3.782,349 3.136,350 6.017,351 3.747,352 2.776,353 2.785,354 1.041,355 8.536,356 2.694,357 3.166,358 2.946,359 4.956,360 2.863,361 1.949,362 2.327,364 5.442,365 1.785,366 3.041,367 2.234,368 4.293,369 2.678,370 1.732,371 2.128,373 4.151,374 1.625,375 2.796,376 1.882,377 4.096,378 2.472,379 1.523,380 1.802,382 3.578,383 1.441,384 2.364,385 1.472,386 3.496,387 2.093,388 1.146,389 1.235,391 2.654,392 1.077,393 2.175,394 1.317,395 3.247,396 2,397 1,398 1.158,400 2.136,401 1,402 2,403 1,404 3.139,405 1.819,406 0.862,407 1,409 1.61,410 0.822,411 1.553,412 0.83,413 2.938,414 1.391,415 0.48,416 0.506,418 1.023,419 0.433,420 0.922,421 0.588,422 2.223,423 0.769,424 -0.178,425 -0.191,427 -0.329,428 -0.168,429 0.426,430 -0.155,431 2,432 0.253,433 -0.742,434 -0.746,436 -1.544,437 -0.732,438 0.267,439 -0.659,440 1.806,441 0.088,442 -0.842,443 -1,445 -1.617,446 -0.787,447 0.183,448 -0.784,449 1.555,451 -1,452 -1,454 -2.347,455 -0.899,457 -1,458 1.476,459 -0.101,460 -1,461 -1.134,463 -2.598,464 -1,465 -0.195,466 -1.077,467 1.384,468 -0.525,469 -1.448,470 -1.6,472 -3.491,473 -1.301,474 8.867,475 0.467,476 0.366,477 0.019,478 17,479 0.895,480 4.5,481 0.237,482 12.5,483 0.658,484 18.654,485 0.982,486 23.233,487 0.54,488 10.177,489 0.536,490 3.115,491 0.164,492 6.104,493 0.321,494 0.15,496 0.259,501 0.834,502 1.739,503 0.981,504 1.449,505 0.793,506 1.269,507 1.019,508 1.103,509 1.044,510 1.061,511 0.535,512 1.049,513 0.891,514 1.111,515 1.024,516 1.197,517 0.609,518 1.148,519 0.879,520 1.158,521 1.019,522 1.172,523 0.607,524 1.13,525 1.181,526 0.752,527 0.891,528 0.766,529 0.873,530 0.775,531 1.373,532 0.88,533 1.105,534 0.851,535 1.58,536 0.941,537 0.624,538 1.001,539 0.916,540 0.96,541 0.482,542 0.967,543 0.775,544 1.136,545 1.087,546 1.144,547 0.908,548 1.146,549 3,550 0.033,551 2.444,552 1.354,553 0.601,554 0.455,555 0.32,556 0.179,557 0.1,558 0.056,559 3207,560 6763,561 1.995,562 55.8,563 10,564 4,565 3,566 2,567 1,569 4,572 1.601,573 1.869,574 3.123,575 -0.249,577 1,579 1,582 63.232,583 1.471,584 2.942,585 4.136,586 4.472,587 4.647,588 4.647,589 2.479,590 3.932,591 4.222,592 3.233,593 552.925,594 7.18,595 5585.89,597 1,599 1,600 233.329,601 1.384,602 4.178,603 0.15,604 0.008,605 0.094,606 0.054,607 0.029,608 0.024,609 0.02,610 0.011,611 0.007,612 0.006,613 0.403,614 0.67,615 1,616 1.091,617 83.359,618 0.111,619 -0.313,620 0.067,621 -0.136,622 0.121,623 -0.061,624 -0.018,625 0.111,626 -0.019,627 0.046,628 0.039,629 0.018,630 -0.001,631 -0.041,632 -0.053,633 -0.107,634 0.024,635 -0.094,636 0.115,637 -0.19,638 -0.044,639 -0.189,640 0.072,641 -0.151,642 -0.031,643 0.112,644 0.099,645 0.103,646 0.086,647 0.126,648 -0.083,649 0.034,650 -0.095,651 0.096,652 -0.114,653 0.005,654 -0.034,655 0.017,656 0.01,657 0.036,658 -0.015,659 0.034,660 -0.082,661 -0.078,662 -0.14,663 -0.132,664 -0.085,665 -0.138,666 1.049,667 2.67,668 0.579,669 12.731,670 0.994,671 1.146,672 1.841,673 3.39,674 0.603,675 3.045,676 3.296,677 3.526,678 3.689,679 3.714,680 3.555,681 3.584,682 3.555,683 3.497,684 3.466,685 5.224,686 0.559,687 266.41,688 3.045,689 4.533,690 5.352,691 6.192,692 7.031,693 7.877,694 8.721,695 9.569,696 10.416,697 11.266,698 7,706 1,707 1,708 1,715 2,720 1,721 2,722 5,726 1,741 43,743 6,745 20,747 44,748 14,749 3,752 1,756 2,757 2,763 1,767 5,768 1,770 6,772 4,773 10,774 1,777 1,784 1,785 1,789 1,790 1,793 24,794 3,795 1,796 5,799 1,802 3,803 1,808 1,809 2,828 1,829 1,857 1,858 1,859 2,864 2,868 19,875 1,876 6,878 1,880 2,893 4.7,897 1,898 1,901 10.167,902 7.933,903 4.417,904 2.805,907 1.136,908 1.188,909 0.891,910 5.4,911 7.176,912 3.199,913 3.644,914 4.101,915 4.552,916 4.637,917 4.619,918 4.728,919 4.749,920 4.686,921 4.758,922 0.833,923 25,924 7.017,926 2.807,927 0.026,929 7.596,931 13.875,933 11.207,936 2.096,937 39.833,938 0.002,941 270.735,942 63.528,943 17.046,945 53.806,948 63.528,949 324.541,950 17.046,951 17.222,952 16.836,953 9.047,954 47.817,955 67,956 35.313,957 211.88,959 270.735,960 80.574,961 53.806,964 223.651,965 89.89,966 11,968 52.183,969 17.444,970 10.947,972 270.735,973 70.851,974 63.528,977 270.735,978 19.164,979 48.162,981 67.053,982 270.735,983 70.851,984 63.528,986 0.56,987 0.333,988 0.179,989 0.089,990 11,991 5,992 0.114,993 5,995 1,996 3.175,997 127.869,999 11,1000 76.711,1005 14.537,1006 7.057,1007 3.798,1009 67.053,1010 3.857,1015 0.818,1016 3.841,1017 42.806,1018 405.115,1019 23.5,1026 1.425,1027 3.094,1031 42.738,1032 49.273,1034 0.271,1035 0.542,1036 0.762,1037 0.824,1038 0.856,1039 0.856,1040 4.41,1041 0.862,1042 5.303,1043 2.136,1044 3.97,1045 4.324,1046 2.189,1047 6.061,1048 3.851,1049 5.545,1050 0.48,1051 6.834,1052 1.61,1053 3.434,1054 3.98,1056 6.917,1057 3.235,1058 6.808,1059 -0.178,1060 8.474,1061 1.023,1062 5.501,1063 6.337,1064 2.993,1065 9.991,1066 5.257,1067 8.112,1068 -0.742,1069 10.18,1070 -0.329,1071 5.861,1072 6.973,1074 11.725,1075 5.525,1076 9.458,1077 -0.842,1078 11.929,1079 -1.544,1080 7.352,1081 8.754,1082 3.938,1083 14.28,1084 6.977,1085 10.833,1086 -1,1087 13.706,1088 -1.617,1089 8.116,1090 9.836,1092 16.343,1093 7.648,1094 12.231,1095 -1,1096 15.502,1097 -2.347,1098 9.371,1099 11.39,1100 4.951,1101 18.725,1102 8.857,1103 3.028,1104 -1.448,1105 17.313,1106 -2.598,1107 10.316,1108 12.665,1110 20.918,1111 9.711,1112 2.776,1113 10.006,1114 19.133,1115 -3.491,1116 11.473,1117 14.13,1118 5.992,1119 23.238,1120 10.813,1121 1.949,1122 8.536,1123 20.961,1124 4.086,1125 12.499,1126 15.484,1128 25.485,1129 11.749,1130 1.732,1131 5.442,1132 22.794,1133 2.785,1134 13.615,1135 16.914,1136 7.044,1137 27.785,1138 12.802,1139 1.523,1140 4.151,1141 24.632,1142 2.327,1143 14.677,1144 18.3,1146 30.057,1147 13.777,1148 1.146,1149 3.578,1150 26.473,1151 2.128,1152 15.778,1153 19.717,1154 8.099,1155 32.351,1156 14.807,1157 1,1158 2.654,1159 28.316,1160 1.802,1161 16.856,1162 21.115,1164 34.634,1165 15.8,1166 3270,1167 4872,1168 13.118,1169 25.921,1170 29.402,1171 31.455,1172 30.506,1173 29.003,1174 28.993,1175 34.054,1176 5.476,1177 78.271,1178 27.307,1179 5.399,1180 5.631,1181 6.273,1182 5.043,1183 5.028,1184 6.794,1185 3.394,1186 16.528,1187 4.775,1188 9.084,1189 1.47,1190 1.573,1191 1.525,1192 1.45,1193 1.45,1194 1.703,1195 0.274,1196 3.914,1197 1.365,1198 4.034,1199 4.096,1200 3.983,1201 3.828,1202 6.546,1203 3.853,1204 3.887,1205 3.942,1206 3.753,1207 3.762,1208 4.867,1209 3.759,1210 3.488,1211 3.549,1212 3.328,1213 3.299,1214 4.535,1215 3.292,1216 3.251,1217 3.317,1218 3.166,1219 2.953,1220 4.191,1221 2.988,1222 3.191,1223 3.289,1224 2.991,1225 2.941,1226 4.04,1227 2.932,1228 3.111,1229 3.206,1230 2.866,1231 2.931,1232 3.828,1233 2.91,1234 2.96,1235 3.064,1236 2.694,1237 2.766,1238 3.648,1239 2.733,1240 2.872,1241 2.968,1242 2.597,1243 2.635,1244 3.474,1245 2.613,1246 0.22,1247 0.182,1248 0.324,1249 0.197,1250 0.151,1251 4.399,1252 0.204,1253 3.631,1254 0.085,1255 6.471,1256 0.5,1257 3.944,1258 0.139,1259 3.028,1260 4.086,1261 1.697,1262 10.006,1263 2.775,1264 1.899,1265 1.848,1266 2.116,1267 2.046,1268 1.515,1269 2.07,1270 1.647,1271 1.583,1272 1.807,1273 1.91,1274 1.036,1275 1.879,1276 1.555,1277 1.489,1278 1.778,1279 1.794,1280 0.912,1281 1.79,1282 1.433,1283 1.365,1284 1.682,1285 1.644,1286 0.825,1287 1.668,1288 1.153,1289 1.064,1290 1.513,1291 1.418,1292 0.824,1293 1.429,1294 1.055,1295 0.973,1296 1.397,1297 1.376,1298 0.629,1299 1.384,1300 1.003,1301 0.904,1302 1.344,1303 1.248,1304 0.359,1305 1.305,1306 0.884,1307 0.79,1308 1.253,1309 1.163,1310 0.314,1311 1.204,1312 3.714,1314 4.977,1315 2.398,1316 6.435,1317 4.727,1318 7.977,1319 6.783,1320 9.562,1322 4.081,1327 8.67,1328 7.101,1330 5.974,1332 0.972,1340 24.025,1341 63.232,1342 126.526,1343 177.845,1344 192.31,1345 199.82,1346 199.82,1347 29.224,1348 6.04,1349 50.63,1350 50.63,1351 11,1352 11.824,1353 2.807,1354 2.17,1355 33.739,1356 60,1357 52,1358 0.282,1359 151.333,1360 259.12,1361 361.013,1362 2776,1364 13.665,1365 0.719,1366 0.625,1367 13.665,1368 11.879,1369 9.22,1370 0.461,1371 0.358,1372 7.028,1373 8.717,1374 6.832,1375 5.732,1376 9.22,1377 7.153,1378 7.72,1379 0.297,1380 0.211,1381 7.72,1382 5.496,1383 6.399,1384 0.194,1385 0.127,1386 6.399,1387 4.204,1388 4.998,1389 0.128,1390 0.075,1391 4.998,1392 2.906,1393 3.629,1394 0.091,1395 0.048,1396 3.629,1397 1.92,1398 0.44,1399 58.771,1400 0.276,1401 19.206,1402 0.772,1403 92,1404 243.508,1405 102.699,1406 229.299,1407 306.58,1408 214,1409 105,1410 223.769,1411 116.673,1412 223.2,1413 315.59,1414 207,1415 4.585}
{0 CHEMBL357953,1 1.437,2 10,3 3.577,4 12.794,5 80.41,6 6.533,7 0.3,8 3.776,9 3.912,10 3.207,11 3.247,12 4.865,13 3.205,14 4.303,15 4.519,16 3.477,17 3.558,18 5.343,19 3.484,20 4.509,21 4.742,22 3.499,23 3.689,24 5.504,25 3.59,26 4.581,27 4.815,28 3.39,29 3.648,30 5.635,31 3.53,32 4.511,33 4.775,34 3.287,35 3.557,36 5.478,37 3.437,38 4.304,39 4.533,40 3.269,41 3.539,42 5.293,43 3.414,44 4.36,45 4.611,46 3.139,47 3.537,48 5.293,49 3.382,50 4.306,51 4.572,52 2.967,53 3.394,54 5.254,55 3.212,56 0.03,57 0.567,58 9.683,59 3.779,60 9.512,61 5.394,62 0.344,63 0.847,64 17.275,65 5.61,66 28.962,67 8.467,68 0.184,69 0.974,70 21.068,71 7.156,72 29.225,73 10.486,74 0.286,75 0.95,76 23.103,77 7.591,78 54.074,79 10.799,80 0.317,81 0.88,82 21.634,83 6.726,84 47.098,85 9.881,86 0.183,87 0.809,88 16.933,89 6.293,90 26.358,91 9.099,92 0.168,93 0.825,94 17.94,95 6.575,96 30.521,97 9.576,98 0.221,99 0.742,100 17.116,101 6.2,102 33.867,103 9.006,104 43,105 25,106 0.257,107 0.607,108 0.802,109 0.879,110 0.879,111 0.879,112 3.055,113 1.017,114 -3.77,115 -3.73,116 -3.55,121 38.1,122 2,123 1,126 1,127 2,129 1,142 1,143 1,144 4,145 1,146 1,161 1,176 6,179 3,180 3,185 3,187 7,192 2,197 2,200 4,206 8,211 2,214 3,219 4,224 1,227 3,232 4,235 1,237 1,239 7,251 6,256 2,259 2,264 5,269 1,277 1,281 522,282 13.223,283 13.223,284 13.223,285 13.223,286 13.223,287 12.239,288 17.793,289 7.982,290 13.554,291 9.705,292 9.705,293 9.705,294 9.705,295 9.705,296 8.056,297 18.938,298 3.635,299 10.163,300 3.955,301 2,302 0.911,303 0.482,304 0.482,305 0.482,306 3.691,310 1,311 1,312 1,313 386,314 4,318 76.773,325 1.7,326 17.19,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 43,338 200,339 4.116,340 3.773,341 5.924,342 3.75,343 2.808,344 3.687,345 2.208,346 8.275,347 2.66,348 3.847,349 3.066,350 5.551,351 3.547,352 2.58,353 3.061,354 0.867,355 7.432,356 2.461,357 3.722,358 2.869,359 5.011,360 3.298,361 2.338,362 2.622,363 0.655,364 5.959,365 2.242,366 3.321,367 2.408,368 4.942,369 2.991,370 2.034,371 2.53,372 0.13,373 5.766,374 1.938,375 2.798,376 2.129,377 3.844,378 2.319,379 1.35,380 1.782,382 3.008,383 1.298,384 2.682,385 1.507,386 3.501,387 2.144,388 1.158,389 1.424,391 2.573,392 1.128,393 2.5,394 1.242,395 3.345,396 2.037,397 1.062,398 1.294,400 2.274,401 1.033,402 2.041,403 0.697,404 2.702,405 1.323,406 0.335,407 0.545,409 0.486,410 0.33,411 1.214,412 0.515,413 2.625,414 1.132,415 0.175,416 0.179,418 0.239,419 0.166,420 1.171,421 0.373,422 2,423 0.793,424 -0.184,425 -0.22,427 -0.387,428 -0.179,429 1.008,430 0.014,431 2,432 0.717,433 -0.255,434 -0.325,436 -0.619,437 -0.243,438 0.484,439 -0.371,440 1.636,441 0.16,442 -0.828,443 -0.986,445 -1.966,446 -0.816,447 0.467,448 -0.704,449 1.547,450 -0.001,451 -1,452 -1.338,454 -2.601,455 -0.985,456 -0.146,457 -0.861,458 1.29,459 -0.333,460 -1.3,461 -1.445,463 -2.849,464 -1.223,465 -0.184,466 -0.925,467 1.23,468 -0.374,469 -1.325,470 -1.553,472 -2.863,473 -1.285,474 9.467,475 0.473,476 0.438,477 0.022,478 22,479 1.1,480 10,481 0.5,482 12,483 0.6,484 15.909,485 0.795,486 22.933,487 0.546,488 15.683,489 0.784,490 4.534,491 0.227,492 5.029,493 0.251,494 0.246,496 0.254,501 0.821,502 1.533,503 0.94,504 1.309,505 0.677,506 1.16,507 0.712,508 1.011,509 0.923,510 0.948,511 0.473,512 0.945,513 1.099,514 1.078,515 1.011,516 1.081,517 0.779,518 1.031,519 1.625,520 1.106,521 1.16,522 1.096,523 1.624,524 1.083,525 1.578,526 0.81,527 1.023,528 0.762,529 1.509,530 0.816,531 0.803,532 1.11,533 1.017,534 1.118,535 0.875,536 1.105,537 0.903,538 1.044,539 1.096,540 1.099,541 1.041,542 1.122,543 0.738,544 1.022,545 1.07,546 1.158,547 0.878,548 1.167,549 4.5,550 0.083,551 2,552 1,553 0.622,554 0.486,555 0.346,556 0.262,557 0.148,558 0.096,559 3502,560 9124,561 1.861,562 52.4,564 12,565 1,567 1,569 8,572 1.614,573 1.714,574 3.318,575 -0.32,577 1,579 1,582 60.37,583 1.437,584 3.392,585 4.481,586 4.91,587 4.91,588 4.91,589 2.746,590 3.404,591 4.289,592 3.457,593 656.752,594 7.313,595 7101.14,596 1,597 1,599 1,600 226.477,601 1.5,602 4.228,603 0.225,604 0.01,605 0.08,606 0.04,607 0.03,608 0.024,609 0.017,610 0.015,611 0.011,612 0.011,613 0.464,614 0.67,615 1,616 2.261,617 91.062,618 -0.007,619 -0.26,620 0.03,621 -0.144,622 -0.047,623 -0.066,624 0.324,625 0.126,626 0.08,627 0.054,628 0.185,629 0.041,630 -0.066,631 -0.031,632 -0.022,633 -0.079,634 0.012,635 -0.042,636 -0.177,637 -0.165,638 -0.134,639 -0.118,640 -0.168,641 -0.124,642 -0.202,643 0.114,644 0.002,645 0.17,646 -0.169,647 0.12,648 0.034,649 -0.065,650 -0.061,651 -0.071,652 -0.033,653 -0.081,654 -0.101,655 -0.041,656 -0.147,657 -0.079,658 -0.122,659 -0.114,660 0.093,661 -0.066,662 -0.12,663 -0.168,664 0.007,665 -0.178,666 2.01,667 4.666,668 0.3,669 18.12,670 0.993,671 1.133,672 2.538,673 6.441,674 0.632,675 3.045,676 3.258,677 3.367,678 3.401,679 3.497,680 3.497,681 3.497,682 3.497,683 3.367,684 3.219,685 5.933,686 0.589,687 274.4,688 3.045,689 4.511,690 5.283,691 6.089,692 6.88,693 7.694,694 8.493,695 9.311,696 10.114,697 10.936,698 4.8,700 1,705 1,715 4,720 2,722 6,737 1,741 42,743 8,744 1,745 20,747 42,748 16,749 6,750 2,751 4,756 1,757 1,763 2,770 2,771 2,772 7,773 7,777 1,782 1,786 1,789 1,790 1,793 22,794 4,795 1,796 4,802 2,808 1,809 2,829 1,836 1,837 1,853 1,859 1,864 3,868 20,876 3,877 1,878 1,880 1,881 1,885 1,886 1,891 1,893 4.8,896 1,898 1,901 11.667,902 8.283,903 4.778,904 2.614,907 1.412,908 1.242,909 0.892,910 6.964,911 7.255,912 3.296,913 3.676,914 4.047,915 4.371,916 4.769,917 4.791,918 4.945,919 5.144,920 5.059,921 5.007,922 0.857,923 25,924 7.356,926 2.831,927 0.026,929 7.817,931 13.974,933 10.354,936 2.317,937 46.333,938 0.001,941 247.193,942 126.241,943 21.135,945 36.145,948 126.241,949 283.338,950 21.135,951 26.047,952 9.87,953 55.916,954 25.145,955 19.429,956 58.885,957 235.422,959 247.193,960 147.376,961 36.145,964 153.024,965 130.314,968 45.531,969 84.814,970 17.031,972 247.193,973 57.28,974 126.241,977 247.193,978 21.937,979 67.076,980 35.041,981 59.466,982 247.193,983 57.28,984 126.241,986 0.557,987 0.314,988 0.133,989 0.065,990 8,991 5,992 0.167,993 7,995 1,996 3.219,997 126.298,999 6,1000 86.439,1005 16.392,1006 8.497,1007 5.902,1009 57.28,1010 7.545,1015 1.67,1017 18.011,1018 430.714,1019 26,1024 11.666,1028 -0.344,1031 41.694,1032 47.567,1034 0.267,1035 0.629,1036 0.831,1037 0.911,1038 0.911,1039 0.911,1040 4.494,1041 0.335,1042 5.231,1043 2.274,1044 3.932,1045 4.357,1046 2.458,1047 5.905,1048 3.843,1049 5.65,1050 0.175,1051 6.723,1052 0.486,1053 3.434,1054 3.951,1055 1.847,1056 6.581,1057 3.287,1058 6.904,1059 -0.184,1060 8.308,1061 0.239,1062 5.407,1063 6.309,1064 3.56,1065 9.536,1066 5.22,1067 8.186,1068 -0.255,1069 9.944,1070 -0.387,1071 5.673,1072 6.665,1073 3.656,1074 10.952,1075 5.417,1076 9.494,1077 -0.828,1078 11.61,1079 -0.619,1080 7.117,1081 8.53,1082 4.961,1083 13.419,1084 6.829,1085 10.818,1086 -1,1087 13.297,1088 -1.966,1089 7.739,1090 9.253,1091 5.37,1092 15.161,1093 7.378,1094 12.156,1095 -1.3,1096 14.998,1097 -2.601,1098 8.954,1099 10.898,1100 6.459,1101 17.431,1102 8.561,1103 2.808,1104 -1.325,1105 16.71,1106 -2.849,1107 9.756,1108 11.826,1109 7.028,1110 19.338,1111 9.29,1112 2.58,1113 8.275,1114 18.43,1115 -2.863,1116 10.862,1117 13.352,1118 7.994,1119 21.518,1120 10.363,1121 2.338,1122 7.432,1123 20.156,1124 3.687,1125 11.76,1126 14.408,1127 8.654,1128 23.513,1129 11.189,1130 2.034,1131 5.959,1132 21.888,1133 3.061,1134 12.816,1135 15.861,1136 9.549,1137 25.651,1138 12.207,1139 1.35,1140 5.766,1141 23.624,1142 2.622,1143 13.766,1144 16.999,1145 10.263,1146 27.694,1147 13.089,1148 1.158,1149 3.008,1150 25.365,1151 2.53,1152 14.798,1153 18.403,1154 11.116,1155 29.812,1156 14.079,1157 1.062,1158 2.573,1159 27.109,1160 1.782,1161 15.778,1162 19.597,1163 11.862,1164 31.881,1165 14.993,1166 3798,1167 6222,1168 12.425,1169 26.534,1170 29.254,1171 28.958,1172 29.889,1173 27.709,1174 27.678,1175 34.248,1176 7.72,1177 72.024,1178 26.513,1179 5,1180 5.773,1181 5.531,1182 4.809,1183 4.808,1184 6.687,1185 3.912,1186 14.305,1187 4.66,1188 12.645,1189 1.463,1190 1.448,1191 1.494,1192 1.385,1193 1.384,1194 1.712,1195 0.386,1196 3.601,1197 1.326,1198 3.946,1199 3.974,1200 3.881,1201 3.867,1202 7.433,1203 3.865,1204 3.694,1205 3.757,1206 3.59,1207 3.547,1208 5.43,1209 3.546,1210 3.663,1211 3.731,1212 3.554,1213 3.434,1214 4.812,1215 3.451,1216 3.352,1217 3.417,1218 3.2,1219 3.216,1220 4.303,1221 3.202,1222 3.213,1223 3.286,1224 3.045,1225 2.963,1226 4.228,1227 2.972,1228 3,1229 3.056,1230 2.783,1231 2.823,1232 4.081,1233 2.8,1234 2.97,1235 3.05,1236 2.758,1237 2.762,1238 3.802,1239 2.756,1240 2.816,1241 2.904,1242 2.619,1243 2.636,1244 3.735,1245 2.623,1246 0.206,1247 0.189,1248 0.296,1249 0.187,1250 0.14,1251 4.116,1252 0.184,1253 3.773,1254 0.11,1255 5.924,1256 0.414,1257 3.75,1258 0.133,1259 2.808,1260 3.687,1261 2.208,1262 8.275,1263 2.66,1264 1.917,1265 1.892,1266 2.042,1267 2.021,1268 1.238,1269 2.028,1270 1.665,1271 1.608,1272 1.878,1273 1.878,1274 1.039,1275 1.878,1276 1.603,1277 1.529,1278 1.864,1279 1.829,1280 0.988,1281 1.844,1282 1.365,1283 1.303,1284 1.641,1285 1.551,1286 0.818,1287 1.585,1288 1.185,1289 1.102,1290 1.567,1291 1.466,1292 0.622,1293 1.503,1294 1.006,1295 0.928,1296 1.31,1297 1.24,1298 0.276,1299 1.241,1300 0.929,1301 0.885,1302 1.152,1303 1.196,1304 0.173,1305 1.205,1306 0.821,1307 0.743,1308 1.123,1309 1.055,1310 0.129,1311 1.088,1312 3.714,1314 4.949,1316 6.365,1318 7.856,1320 9.386,1322 5.548,1328 2.241,1329 3.216,1330 5.291,1332 0.064,1333 1.517,1337 5.297,1339 2.622,1340 24.74,1341 60.37,1342 142.477,1343 188.213,1344 206.213,1345 206.213,1346 206.213,1347 44.269,1348 5.844,1349 41.57,1350 41.57,1351 6,1352 11.52,1353 3.17,1354 2.807,1355 49.772,1356 71,1357 70,1358 0.35,1359 160.871,1360 285.84,1361 384.286,1362 2100,1364 14.958,1365 0.748,1366 0.617,1367 14.958,1368 12.349,1369 9.562,1370 0.478,1371 0.339,1372 6.682,1373 9.185,1374 6.406,1375 5.442,1376 9.562,1377 6.778,1378 7.941,1379 0.318,1380 0.185,1381 7.941,1382 4.622,1383 6.218,1384 0.222,1385 0.107,1386 6.218,1387 3.004,1388 3.998,1389 0.138,1390 0.054,1391 3.998,1392 1.564,1393 2.781,1394 0.087,1395 0.029,1396 2.781,1397 0.938,1398 0.557,1399 59.88,1400 0.284,1401 20.428,1402 0.932,1403 90,1404 275.449,1405 100.555,1406 265.143,1407 350.88,1408 246,1409 98,1410 248.782,1411 107.644,1412 252.155,1413 358.36,1414 234,1415 4.857}
{0 CHEMBL357981,1 1.563,2 7.882,3 2.34,4 5.476,5 66.16,6 6.752,7 0.294,8 3.626,9 3.761,10 3.088,11 3.006,12 4.821,13 2.993,14 4.131,15 4.349,16 3.343,17 3.332,18 5.094,19 3.298,20 4.299,21 4.501,22 3.387,23 3.499,24 5.324,25 3.425,26 4.466,27 4.708,28 3.308,29 3.504,30 5.485,31 3.38,32 4.44,33 4.747,34 3.142,35 3.334,36 5.376,37 3.213,38 4.208,39 4.456,40 2.987,41 3.247,42 5.254,43 3.13,44 4.072,45 4.344,46 2.881,47 3.213,48 4.963,49 3.068,50 4.008,51 4.291,52 2.645,53 3.034,54 5.034,55 2.867,56 0.078,57 0.481,58 8.259,59 2.745,60 17.932,61 4.158,62 0.265,63 0.689,64 14.595,65 4.006,66 21.07,67 6.31,68 0.226,69 0.787,70 17.032,71 5.623,72 27.087,73 8.148,74 0.356,75 0.828,76 20.57,77 5.901,78 39.643,79 9.35,80 0.364,81 0.709,82 20.667,83 5.064,84 43.984,85 8.502,86 0.405,87 0.613,88 16.266,89 4.551,90 49.101,91 6.952,92 0.138,93 0.601,94 13.483,95 4.31,96 19.664,97 6.848,98 0.145,99 0.513,100 12.849,101 3.732,102 27.768,103 6.091,104 37,105 22,106 0.293,107 0.646,108 0.82,109 0.863,110 0.874,111 0.874,112 2.906,113 0.969,114 -2.45,115 -2.47,116 -2.42,121 34.3,122 2,124 1,126 1,128 1,129 1,142 1,143 1,147 1,153 1,157 1,163 1,172 1,176 3,180 2,182 2,187 3,191 1,192 2,194 1,200 3,205 1,206 1,209 1,213 1,214 1,216 2,218 1,229 2,232 2,235 1,241 1,244 4,256 3,261 2,269 1,274 2,281 328,282 11.207,283 11.207,284 11.207,285 11.207,286 11.207,287 10.056,288 15.415,289 6.685,290 11.623,291 8.215,292 8.215,293 8.215,294 8.215,295 8.215,296 6.614,297 20.453,298 2.937,299 8.83,300 3.567,301 1.682,302 0.75,303 0.522,304 0.465,305 0.465,306 3.527,311 1,312 1,313 258,314 3.536,317 54.159,325 1.093,326 12.406,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 37.5,338 134,339 4.399,340 3.631,341 6.471,342 3.943,343 3.027,344 4.086,345 1.697,346 10.006,347 2.772,348 3.871,349 3.252,350 5.862,351 3.653,352 2.691,353 2.847,354 1.041,355 7.861,356 2.588,357 3.245,358 3.064,359 4.951,360 2.788,361 1.892,362 2.331,364 5.406,365 1.691,366 3.072,367 2.369,368 4.124,369 2.475,370 1.529,371 2.128,373 3.618,374 1.443,375 3.041,376 1.902,377 3.941,378 2.308,379 1.376,380 1.705,382 3.212,383 1.273,384 2.364,385 1.457,386 3.143,387 1.82,388 0.864,389 1.223,391 1.613,392 0.823,393 2.096,394 0.974,395 2.956,396 1.452,397 0.54,398 0.664,400 1.06,401 0.488,402 1.478,403 0.617,404 2.288,405 1.104,406 0.118,407 0.171,409 0.164,410 0.116,411 0.91,412 0.178,413 2,414 0.75,415 -0.198,416 -0.215,418 -0.361,419 -0.187,420 0.423,421 -0.177,422 1.843,423 0.089,424 -0.84,425 -1,427 -1.559,428 -0.78,429 0.193,430 -0.713,431 1.599,432 -0.1,433 -1,434 -1.131,436 -2.569,437 -0.897,438 -0.152,439 -0.851,440 1.402,441 -0.306,442 -1.299,443 -1.403,445 -2.849,446 -1.267,447 -0.193,448 -1.076,449 1.257,450 -0.524,451 -1.459,452 -1.761,454 -3.475,455 -1.346,456 -0.313,457 -1.444,458 0.828,459 -0.701,460 -1.663,461 -2.15,463 -4.555,464 -1.554,465 -0.517,466 -1.515,467 0.638,468 -0.802,469 -1.714,470 -2.251,472 -5.421,473 -1.626,474 7.867,475 0.463,476 0.404,477 0.024,478 17.5,479 1.029,480 6.5,481 0.382,482 11,483 0.647,484 13.574,485 0.798,486 20.033,487 0.572,488 12.215,489 0.719,490 3.813,491 0.224,492 4.283,493 0.252,494 0.297,496 0.292,501 0.867,502 1.745,503 0.908,504 1.402,505 0.874,506 1.199,507 1.149,508 0.926,509 0.938,510 0.811,511 0.594,512 0.817,513 1.126,514 1.14,515 1.1,516 1.228,517 0.783,518 1.178,519 0.899,520 1.272,521 1.129,522 1.3,523 0.775,524 1.267,525 1.018,526 0.712,527 0.85,528 0.719,529 0.886,530 0.733,531 1.375,532 0.842,533 1.143,534 0.827,535 1.63,536 0.945,537 0.594,538 1.064,539 0.959,540 1.066,541 0.519,542 1.067,543 0.751,544 1.115,545 1.073,546 1.167,547 0.991,548 1.165,549 3.5,551 2.667,552 1.292,553 0.57,554 0.413,555 0.341,556 0.238,557 0.105,558 0.02,559 2016,560 5940,561 1.838,562 51.4,563 3,564 4,565 4,566 2,567 1,569 4,572 1.57,573 1.672,574 2.991,575 -0.198,577 1,578 1,579 1,582 54.692,583 1.563,584 3.448,585 4.379,586 4.607,587 4.665,588 4.665,589 2.419,590 3.852,591 4.058,592 3.097,593 421.196,594 6.862,595 3925.14,597 1,599 1,600 179.525,601 1.566,602 3.976,603 0.206,605 0.121,606 0.059,607 0.032,608 0.026,609 0.024,610 0.018,611 0.012,612 0.005,613 0.503,614 0.67,615 1,616 2.207,617 71.205,618 0.084,619 -0.417,620 0.047,621 -0.209,622 0.015,623 -0.114,624 -0.058,625 0.218,626 0.062,627 0.185,628 -0.016,629 0.154,630 -0.081,631 -0.028,632 -0.134,633 -0.143,634 -0.056,635 -0.153,636 0.087,637 -0.264,638 -0.162,639 -0.309,640 -0.012,641 -0.291,642 -0.015,643 0.147,644 0.143,645 0.14,646 0.04,647 0.178,648 -0.106,649 0.079,650 -0.136,651 0.139,652 -0.189,653 0.009,654 -0.035,655 -0.041,656 -0.052,657 -0.039,658 0.021,659 -0.045,660 -0.062,661 -0.15,662 -0.145,663 -0.202,664 -0.032,665 -0.185,666 1.355,667 2.566,668 0.294,669 11.64,670 1.002,671 1.144,672 1.215,673 1.477,674 0.618,675 2.89,676 3.135,677 3.332,678 3.401,679 3.332,680 3.258,681 3.258,682 3.178,683 2.833,684 2.303,685 4.799,686 0.584,687 236.33,688 2.89,689 4.369,690 5.176,691 6.009,692 6.841,693 7.681,694 8.521,695 9.366,696 10.211,697 11.058,698 8.6,706 1,707 1,708 1,715 2,720 1,721 2,722 5,726 1,741 35,743 7,745 17,747 35,748 12,749 3,752 1,756 1,757 1,763 2,770 1,771 2,772 4,773 6,774 1,777 1,784 1,785 1,790 1,793 18,794 3,795 1,796 5,799 1,802 3,803 1,808 1,809 2,828 1,836 1,837 1,857 1,858 1,859 1,864 3,868 17,875 1,876 1,878 1,880 2,885 1,886 1,891 1,893 5.7,897 1,898 1,901 10.167,902 7.017,903 4.083,904 1.972,907 1.346,908 1.244,909 0.857,910 5.202,911 6.856,912 3.157,913 3.59,914 4.067,915 4.487,916 4.525,917 4.547,918 4.683,919 4.713,920 4.609,921 4.511,922 1,923 22,924 6.187,926 2.367,927 0.026,929 7.902,931 11.633,933 8.603,936 2.402,937 40.833,938 0.001,941 200.109,942 100.032,943 17.046,945 53.806,948 100.032,949 253.914,950 17.046,951 26.047,952 4.164,953 9.047,954 47.817,955 67,956 87.436,957 129.482,959 200.109,960 117.078,961 53.806,964 153.024,965 89.89,966 11,968 48.336,969 40.765,970 27.977,972 200.109,973 70.851,974 100.032,977 200.109,978 6.491,979 56.987,980 17.031,981 90.374,982 200.109,983 70.851,984 100.032,986 0.561,987 0.339,988 0.159,989 0.073,990 8,991 5,992 0.143,993 5,995 1,996 2.843,997 103.444,999 5,1000 69.487,1005 13.752,1006 6.43,1007 3.584,1009 67.053,1010 3.708,1015 0.744,1016 3.664,1017 42.806,1018 370.992,1019 22.5,1026 1.36,1027 3.023,1031 35.087,1032 40.028,1034 0.305,1035 0.672,1036 0.854,1037 0.898,1038 0.909,1039 0.909,1040 4.373,1041 0.118,1042 5.153,1043 1.06,1044 3.807,1045 4.27,1046 2.189,1047 5.922,1048 3.665,1049 5.564,1050 -0.198,1051 6.708,1052 0.164,1053 3.434,1054 3.98,1056 6.843,1057 3.235,1058 6.848,1059 -0.84,1060 8.368,1061 -0.361,1062 5.361,1063 6.337,1064 2.993,1065 9.87,1066 5.074,1067 8.17,1068 -1,1069 10.088,1070 -1.559,1071 5.832,1072 6.982,1074 11.617,1075 5.484,1076 9.524,1077 -1.299,1078 11.844,1079 -2.569,1080 7.232,1081 8.764,1082 3.938,1083 14.161,1084 6.799,1085 10.902,1086 -1.459,1087 13.625,1088 -2.849,1089 8.06,1090 9.844,1092 16.229,1093 7.56,1094 12.3,1095 -1.663,1096 15.423,1097 -3.475,1098 9.265,1099 11.399,1100 4.951,1101 18.612,1102 8.68,1103 3.027,1104 -1.714,1105 17.233,1106 -4.555,1107 10.243,1108 12.67,1110 20.811,1111 9.583,1112 2.691,1113 10.006,1114 19.052,1115 -5.421,1116 11.375,1117 14.136,1118 5.992,1119 23.137,1120 10.63,1121 1.892,1122 7.861,1123 20.878,1124 4.086,1125 12.417,1126 15.487,1128 25.392,1129 11.59,1130 1.529,1131 5.406,1132 22.71,1133 2.847,1134 13.522,1135 16.918,1136 7.044,1137 27.699,1138 12.609,1139 1.376,1140 3.618,1141 24.547,1142 2.331,1143 14.591,1144 18.302,1146 29.979,1147 13.593,1148 0.864,1149 3.212,1150 26.387,1151 2.128,1152 15.688,1153 19.718,1154 8.099,1155 32.281,1156 14.602,1157 0.54,1158 1.613,1159 28.231,1160 1.705,1161 16.771,1162 21.116,1164 34.572,1165 15.597,1166 2246,1167 3922,1168 10.345,1169 21.637,1170 25.954,1171 26.909,1172 26.662,1173 24.121,1174 24.074,1175 30.313,1176 5.476,1177 65.88,1178 22.39,1179 5.284,1180 5.477,1181 6.23,1182 5.037,1183 4.998,1184 6.794,1185 3.394,1186 16.522,1187 4.569,1188 10.94,1189 1.527,1190 1.583,1191 1.568,1192 1.419,1193 1.416,1194 1.783,1195 0.322,1196 3.875,1197 1.317,1198 4.029,1199 4.092,1200 3.981,1201 3.81,1202 6.546,1203 3.845,1204 3.743,1205 3.788,1206 3.633,1207 3.628,1208 5.428,1209 3.622,1210 3.304,1211 3.372,1212 3.182,1213 3.099,1214 4.863,1215 3.099,1216 3.25,1217 3.316,1218 3.141,1219 2.953,1220 4.509,1221 2.988,1222 3.147,1223 3.249,1224 2.933,1225 2.914,1226 4.04,1227 2.907,1228 2.962,1229 3.05,1230 2.708,1231 2.788,1232 3.917,1233 2.754,1234 2.872,1235 2.968,1236 2.6,1237 2.635,1238 3.754,1239 2.613,1240 2.421,1241 2.491,1242 2.229,1243 2.052,1244 3.623,1245 2.046,1246 0.259,1247 0.214,1248 0.381,1249 0.232,1250 0.178,1251 4.399,1252 0.24,1253 3.631,1254 0.1,1255 6.471,1256 0.589,1257 3.943,1258 0.163,1259 3.027,1260 4.086,1261 1.697,1262 10.006,1263 2.772,1264 1.75,1265 1.708,1266 1.953,1267 1.95,1268 1.18,1269 1.939,1270 1.632,1271 1.566,1272 1.794,1273 1.864,1274 0.921,1275 1.855,1276 1.533,1277 1.467,1278 1.716,1279 1.754,1280 0.827,1281 1.753,1282 1.248,1283 1.177,1284 1.594,1285 1.484,1286 0.672,1287 1.52,1288 1.053,1289 0.968,1290 1.344,1291 1.409,1292 0.359,1293 1.383,1294 1.002,1295 0.916,1296 1.307,1297 1.195,1298 0.314,1299 1.238,1300 0.884,1301 0.79,1302 1.254,1303 1.165,1304 0.147,1305 1.205,1306 0.477,1307 0.387,1308 0.865,1309 0.913,1311 0.89,1312 3.555,1314 4.812,1315 2.398,1316 6.256,1317 4.727,1318 7.781,1319 6.783,1320 9.351,1322 5.741,1327 8.566,1328 0.37,1330 5.645,1332 0.042,1337 5.328,1339 2.64,1340 20.445,1341 54.692,1342 120.664,1343 153.26,1344 161.26,1345 163.26,1346 163.26,1347 31.407,1348 5.509,1349 50.63,1350 50.63,1351 5,1352 11.619,1353 3,1354 2.7,1355 38.088,1356 48,1357 46,1358 0.402,1359 133.687,1360 231.6,1361 317.957,1362 1240,1364 12.836,1365 0.755,1366 0.613,1367 12.836,1368 10.421,1369 8.096,1370 0.476,1371 0.323,1372 5.366,1373 7.593,1374 5.132,1375 4.364,1376 8.096,1377 5.491,1378 6.707,1379 0.305,1380 0.184,1381 6.707,1382 4.053,1383 5.559,1384 0.206,1385 0.106,1386 5.559,1387 2.857,1388 3.746,1389 0.129,1390 0.05,1391 3.746,1392 1.446,1393 2.427,1394 0.09,1395 0.028,1396 2.427,1397 0.745,1398 0.619,1399 52.028,1400 0.311,1401 17.263,1402 1.12,1403 78,1404 249.508,1405 88.699,1406 238.305,1407 311.96,1408 220,1409 88,1410 222.769,1411 99.673,1412 224.203,1413 312.03,1414 206,1415 4.896}
{0 CHEMBL358026,1 1.464,2 9.263,3 3.228,4 10.421,5 75.662,6 6.676,7 0.316,8 3.708,9 3.841,10 3.158,11 3.176,12 4.827,13 3.142,14 4.224,15 4.437,16 3.429,17 3.486,18 5.291,19 3.423,20 4.409,21 4.617,22 3.436,23 3.628,24 5.45,25 3.531,26 4.575,27 4.836,28 3.343,29 3.603,30 5.554,31 3.484,32 4.364,33 4.598,34 3.311,35 3.561,36 5.378,37 3.449,38 4.342,39 4.57,40 3.226,41 3.54,42 5.37,43 3.398,44 4.363,45 4.646,46 2.981,47 3.393,48 5.25,49 3.228,50 4.051,51 4.299,52 2.821,53 3.141,54 5.108,55 2.986,56 0.023,57 0.529,58 8.829,59 3.447,60 8.832,61 4.883,62 0.342,63 0.783,64 15.86,65 5.087,66 27.808,67 7.621,68 0.132,69 0.899,70 18.78,71 6.762,72 27.034,73 9.624,74 0.345,75 0.915,76 23.263,77 7.402,78 56.013,79 10.6,80 0.186,81 0.846,82 18.13,83 6.323,84 31.9,85 9.177,86 0.161,87 0.831,88 17.481,89 6.541,90 31.395,91 9.449,92 0.246,93 0.753,94 18.574,95 6.086,96 37.138,97 8.984,98 0.19,99 0.581,100 13.335,101 4.639,102 28.967,103 6.715,104 40,105 24,106 0.267,107 0.629,108 0.802,109 0.84,110 0.84,111 0.84,112 3.008,113 0.975,114 -3.52,115 -3.49,116 -3.34,121 38.5,122 1,123 1,126 2,127 1,129 1,142 1,143 1,144 4,145 1,146 1,161 1,176 6,179 3,180 2,185 3,187 7,192 2,197 2,200 4,206 6,211 2,214 5,219 4,224 1,227 4,232 5,235 1,237 1,239 4,251 3,256 3,259 2,264 2,269 1,277 1,281 458,282 12.353,283 12.353,284 12.353,285 12.353,286 12.353,287 11.292,288 17.063,289 7.667,290 12.648,291 9.339,292 9.339,293 9.339,294 9.339,295 9.339,296 7.637,297 19.506,298 3.62,299 9.777,300 3.822,301 1.828,302 0.879,303 0.673,304 0.673,305 0.673,306 3.64,310 1,311 1,312 1,313 339,314 3.873,318 71.69,325 1.568,326 16.389,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 41,338 176,339 4.12,340 3.762,341 5.84,342 3.755,343 2.801,344 3.691,345 2.208,346 8.156,347 2.69,348 3.829,349 2.934,350 5.579,351 3.552,352 2.596,353 3.041,354 0.867,355 7.395,356 2.444,357 3.533,358 2.661,359 5.131,360 3.245,361 2.289,362 2.601,363 0.655,364 6.249,365 2.184,366 3.393,367 2.394,368 4.696,369 2.834,370 1.879,371 2.253,372 0.13,373 5.128,374 1.787,375 3.061,376 2.004,377 3.569,378 2.355,379 1.375,380 1.889,382 2.738,383 1.345,384 2.663,385 1.946,386 3.428,387 2.192,388 1.206,389 1.715,391 2.446,392 1.187,393 2.304,394 1.272,395 3.352,396 1.967,397 1,398 1.191,400 2.272,401 0.949,402 1.8,403 0.676,404 2.679,405 1.205,406 0.244,407 0.331,409 0.401,410 0.234,411 1.188,412 0.479,413 2.414,414 0.778,415 -0.204,416 -0.259,418 -0.473,419 -0.197,420 1.009,421 -0.019,422 2,423 0.71,424 -0.265,425 -0.322,427 -0.671,428 -0.257,429 0.484,430 -0.362,431 1.725,433 -1,434 -1,436 -1.802,437 -0.9,438 0.366,439 -0.58,440 1.574,441 -0.001,442 -1,443 -1.192,445 -2,446 -0.971,447 0.218,448 -0.6,449 1.353,450 -0.026,451 -1,452 -1.34,454 -2.398,455 -0.984,457 -1,458 1.075,459 -0.1,460 -1,461 -1.417,463 -2.702,464 -1,465 -0.237,466 -1.02,467 1,468 -0.495,469 -1.462,470 -1.813,472 -3.83,473 -1.428,474 8.967,475 0.472,476 0.476,477 0.025,478 21.5,479 1.132,480 10,481 0.526,482 11.5,483 0.605,484 14.32,485 0.754,486 21.633,487 0.555,488 15.381,489 0.81,490 4.58,491 0.241,492 4.444,493 0.234,494 0.26,496 0.268,501 0.823,502 1.535,503 0.915,504 1.298,505 0.674,506 1.14,507 0.736,508 0.897,509 0.903,510 0.862,511 0.481,512 0.879,513 1.06,514 1.265,515 1.108,516 1.295,517 0.793,518 1.218,519 1.556,520 0.819,521 0.997,522 0.789,523 1.443,524 0.824,525 1.074,526 1.043,527 1.035,528 1.015,529 1.037,530 1.019,531 0.716,532 1.272,533 1.106,534 1.321,535 0.95,536 1.283,537 1.152,538 0.819,539 1.011,540 0.852,541 1.037,542 0.907,543 0.866,544 1.125,545 1.114,546 1.226,547 1.004,548 1.22,549 4.5,550 0.05,551 1.556,552 1.125,553 0.782,554 0.458,555 0.345,556 0.224,557 0.156,558 0.076,559 2929,560 8215,561 1.854,562 51.3,564 13,565 1,567 1,569 5,572 1.601,573 1.701,574 3.221,575 -0.301,577 1,579 1,582 57.089,583 1.464,584 3.457,585 4.407,586 4.612,587 4.612,588 4.612,589 2.721,590 4.143,591 4.214,592 3.349,593 572.629,594 7.172,595 5866.36,596 1,597 1,598 1,599 1,600 206.131,601 1.524,602 4.149,603 0.237,604 0.01,605 0.065,606 0.049,607 0.037,608 0.022,609 0.019,610 0.016,611 0.014,612 0.008,613 0.477,614 0.67,615 1,616 2.203,617 84.216,618 -0.014,619 -0.276,620 0.031,621 -0.153,622 -0.052,623 -0.069,624 0.306,625 0.239,626 0.092,627 0.126,628 0.18,629 0.092,630 -0.069,631 -0.206,632 -0.141,633 -0.258,634 -0.004,635 -0.212,636 -0.182,637 0.063,638 0.026,639 0.154,640 -0.127,641 0.12,642 -0.118,643 -0.024,644 -0.067,645 -0.007,646 -0.099,647 -0.026,648 0.049,649 -0.248,650 -0.171,651 -0.281,652 -0.096,653 -0.265,654 -0.13,655 0.079,656 -0.031,657 0.089,658 -0.101,659 0.049,660 0.104,661 -0.157,662 -0.147,663 -0.245,664 0.023,665 -0.244,666 2.046,667 4.456,668 0.316,669 16.122,670 0.995,671 1.132,672 2.289,673 5.238,674 0.635,675 2.996,676 3.219,677 3.296,678 3.401,679 3.526,680 3.466,681 3.466,682 3.466,683 3.258,684 2.89,685 5.526,686 0.595,687 260.37,688 2.996,689 4.466,690 5.231,691 6.047,692 6.838,693 7.662,694 8.463,695 9.29,696 10.096,697 10.926,698 5.1,700 1,705 1,715 4,720 2,722 6,737 1,741 39,743 8,744 1,745 19,747 39,748 15,749 6,750 2,751 4,756 1,757 1,763 1,770 2,771 2,772 7,773 6,777 1,782 1,786 1,789 1,790 1,793 20,794 4,795 1,796 4,802 2,808 1,809 2,829 1,836 1,837 1,853 1,859 1,864 3,868 19,876 2,877 1,878 1,880 1,881 1,885 1,886 1,891 1,893 5.1,896 1,898 1,901 11.167,902 7.783,903 4.444,904 2.172,907 1.425,908 1.248,909 0.892,910 6.241,911 7.171,912 3.258,913 3.651,914 3.975,915 4.371,916 4.815,917 4.816,918 4.969,919 5.195,920 4.957,921 4.747,922 1,923 23,924 6.968,926 2.678,927 0.026,929 7.86,931 13.157,933 9.708,936 2.36,937 44.833,938 0.001,941 223.651,942 123.707,943 21.135,945 36.145,948 123.707,949 259.796,950 21.135,951 25.618,952 7.765,953 55.916,954 25.145,955 19.429,956 58.885,957 211.88,959 223.651,960 144.842,961 36.145,964 164.795,965 95,968 34.601,969 93.21,970 17.031,972 223.651,973 57.28,974 123.707,977 223.651,978 19.832,979 66.647,980 35.041,981 59.466,982 223.651,983 57.28,984 123.707,986 0.558,987 0.297,988 0.138,989 0.078,990 8,991 5,992 0.154,993 6,995 1,996 3.098,997 118.588,999 6,1000 78.711,1005 15.395,1006 7.703,1007 5.67,1009 57.28,1010 7.516,1015 1.654,1017 18.011,1018 404.637,1019 25,1024 11.456,1028 -0.379,1031 38.811,1032 44.152,1034 0.277,1035 0.654,1036 0.834,1037 0.873,1038 0.873,1039 0.873,1040 4.46,1041 0.244,1042 5.187,1043 2.272,1044 3.892,1045 4.331,1046 2.458,1047 5.866,1048 3.804,1049 5.625,1050 -0.204,1051 6.676,1052 0.401,1053 3.434,1054 3.951,1055 1.847,1056 6.512,1057 3.287,1058 6.881,1059 -0.265,1060 8.259,1061 -0.473,1062 5.361,1063 6.275,1064 3.56,1065 9.498,1066 5.178,1067 8.161,1068 -1,1069 9.893,1070 -0.671,1071 5.638,1072 6.626,1073 3.656,1074 10.872,1075 5.387,1076 9.463,1077 -1,1078 11.558,1079 -1.802,1080 7.076,1081 8.498,1082 4.961,1083 13.368,1084 6.8,1085 10.782,1086 -1,1087 13.241,1088 -2,1089 7.702,1090 9.217,1091 5.37,1092 15.072,1093 7.358,1094 12.113,1095 -1,1096 14.938,1097 -2.398,1098 8.919,1099 10.874,1100 6.459,1101 17.356,1102 8.551,1103 2.801,1104 -1.462,1105 16.645,1106 -2.702,1107 9.724,1108 11.804,1109 7.028,1110 19.233,1111 9.293,1112 2.596,1113 8.156,1114 18.358,1115 -3.83,1116 10.833,1117 13.339,1118 7.994,1119 21.414,1120 10.377,1121 2.289,1122 7.395,1123 20.078,1124 3.691,1125 11.734,1126 14.398,1127 8.654,1128 23.385,1129 11.219,1130 1.879,1131 6.249,1132 21.802,1133 3.041,1134 12.791,1135 15.856,1136 9.549,1137 25.515,1138 12.249,1139 1.375,1140 5.128,1141 23.529,1142 2.601,1143 13.743,1144 16.998,1145 10.263,1146 27.537,1147 13.147,1148 1.206,1149 2.738,1150 25.26,1151 2.253,1152 14.776,1153 18.406,1154 11.116,1155 29.644,1156 14.149,1157 1,1158 2.446,1159 26.993,1160 1.889,1161 15.756,1162 19.603,1163 11.862,1164 31.694,1165 15.08,1166 3200,1167 5440,1168 11.731,1169 24.773,1170 28.353,1171 28.41,1172 28.127,1173 26.802,1174 26.784,1175 33.425,1176 7.72,1177 69.572,1178 25.64,1179 4.985,1180 5.762,1181 5.705,1182 4.803,1183 4.801,1184 6.691,1185 3.912,1186 14.09,1187 4.69,1188 12.052,1189 1.492,1190 1.495,1191 1.48,1192 1.411,1193 1.41,1194 1.759,1195 0.406,1196 3.662,1197 1.349,1198 3.95,1199 3.979,1200 3.885,1201 3.872,1202 7.433,1203 3.87,1204 3.674,1205 3.737,1206 3.569,1207 3.509,1208 5.432,1209 3.51,1210 3.605,1211 3.675,1212 3.502,1213 3.339,1214 4.813,1215 3.371,1216 3.378,1217 3.436,1218 3.244,1219 3.275,1220 4.321,1221 3.262,1222 3.063,1223 3.095,1224 2.925,1225 2.832,1226 4.241,1227 2.836,1228 2.947,1229 3.021,1230 2.759,1231 2.778,1232 4.053,1233 2.772,1234 2.874,1235 3.009,1236 2.599,1237 2.618,1238 3.696,1239 2.57,1240 2.75,1241 2.857,1242 2.503,1243 2.497,1244 3.595,1245 2.52,1246 0.217,1247 0.198,1248 0.307,1249 0.198,1250 0.147,1251 4.12,1252 0.194,1253 3.762,1254 0.116,1255 5.84,1256 0.429,1257 3.755,1258 0.142,1259 2.801,1260 3.691,1261 2.208,1262 8.156,1263 2.69,1264 1.922,1265 1.897,1266 2.05,1267 2.027,1268 1.27,1269 2.035,1270 1.64,1271 1.58,1272 1.85,1273 1.854,1274 0.974,1275 1.851,1276 1.513,1277 1.439,1278 1.781,1279 1.788,1280 0.833,1281 1.792,1282 1.401,1283 1.348,1284 1.636,1285 1.549,1286 0.687,1287 1.583,1288 1.007,1289 0.943,1290 1.417,1291 1.269,1292 0.497,1293 1.308,1294 0.934,1295 0.882,1296 1.356,1297 1.239,1298 0.469,1299 1.28,1300 0.924,1301 0.804,1302 1.137,1303 1.189,1304 0.171,1305 1.182,1306 0.739,1307 0.637,1308 1.079,1309 1.018,1310 0.032,1311 1.046,1312 3.664,1314 4.905,1316 6.319,1318 7.812,1320 9.349,1322 5.367,1328 1.38,1329 3.207,1330 5.213,1332 0.274,1333 1.393,1337 5.203,1339 2.548,1340 23.214,1341 57.089,1342 134.828,1343 171.866,1344 179.866,1345 179.866,1346 179.866,1347 39.046,1348 5.746,1349 41.57,1350 41.57,1351 6,1352 11.505,1353 3.17,1354 2.807,1355 45.687,1356 62,1357 68,1358 0.368,1359 151.279,1360 268.54,1361 360.88,1362 1790,1364 14.251,1365 0.75,1366 0.613,1367 14.251,1368 11.642,1369 9.024,1370 0.475,1371 0.325,1372 6.075,1373 8.648,1374 5.782,1375 4.948,1376 9.024,1377 6.175,1378 7.839,1379 0.327,1380 0.192,1381 7.839,1382 4.6,1383 5.521,1384 0.212,1385 0.099,1386 5.521,1387 2.563,1388 3.868,1389 0.133,1390 0.055,1391 3.868,1392 1.587,1393 2.959,1394 0.09,1395 0.03,1396 2.959,1397 0.999,1398 0.579,1399 56.736,1400 0.292,1401 19.381,1402 0.998,1403 86,1404 271.449,1405 96.222,1406 261.925,1407 342.98,1408 242,1409 93,1410 239.43,1411 102.477,1412 245.737,1413 345.87,1414 225,1415 6.268}
{0 CHEMBL359198,1 1.337,2 12.16,3 4.863,4 23.651,5 102.002,6 6.045,7 0.222,8 4.096,9 4.235,10 3.482,11 3.598,12 4.982,13 3.535,14 4.719,15 4.933,16 3.857,17 4.038,18 5.576,19 3.939,20 5.019,21 5.272,22 3.903,23 4.224,24 5.755,25 4.088,26 5.105,27 5.368,28 3.812,29 4.234,30 5.868,31 4.061,32 5.097,33 5.398,34 3.699,35 4.082,36 5.862,37 3.906,38 4.86,39 5.13,40 3.523,41 3.865,42 5.695,43 3.715,44 4.67,45 4.936,46 3.462,47 3.709,48 5.563,49 3.58,50 4.57,51 4.811,52 3.32,53 3.577,54 5.607,55 3.465,56 0.062,57 0.794,58 14.302,59 5.762,60 7.869,61 8.284,62 0.387,63 1.319,64 26.477,65 9.702,66 33.19,67 14.363,68 0.284,69 1.643,70 34.788,71 12.71,72 26.249,73 18.825,74 0.294,75 1.701,76 37.543,77 13.812,78 36.509,79 20.359,80 0.352,81 1.538,82 36.973,83 12.429,84 42.824,85 18.708,86 0.423,87 1.202,88 29.95,89 9.662,90 39.382,91 14.231,92 0.252,93 1.034,94 24.706,95 7.989,96 29.47,97 11.937,98 0.439,99 0.911,100 23.225,101 6.64,102 49.415,103 9.833,104 28,105 38,106 0.224,107 0.485,108 0.723,109 0.869,110 0.881,111 0.881,112 3.266,113 1.101,114 -4.63,115 -4.55,116 -4.28,121 36.8,122 3,123 6,125 1,127 3,129 1,144 3,145 2,146 1,161 1,176 12,179 1,180 6,183 2,185 1,187 15,192 5,197 1,200 13,206 8,211 3,214 7,219 8,224 3,227 5,231 1,232 4,237 3,239 4,244 5,249 3,251 5,255 1,256 3,259 1,264 6,277 9,281 937,282 16.979,283 16.979,284 16.979,285 16.979,286 16.979,287 16.139,288 22.483,289 10.188,290 17.297,291 13.235,292 13.235,293 13.235,294 13.235,295 13.235,296 11.855,297 28.055,298 4.735,299 13.69,300 4.495,301 2.934,302 1.509,303 0.636,304 0.566,305 0.566,306 3.946,311 1,312 1,313 645,314 4.062,317 100.411,318 57.937,320 81.025,321 86.91,324 121.638,325 1.846,326 18.078,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 53,338 304,339 4.78,340 3.899,341 7.933,342 4.675,343 3.685,344 4.16,345 2.186,346 14.943,347 3.652,348 3.988,349 3.662,350 6.169,351 3.648,352 2.696,353 3.314,354 0.8,355 8.716,356 2.571,357 3.669,358 2.858,359 5.67,360 3.363,361 2.426,362 2.875,363 0.366,364 7.464,365 2.255,366 3.35,367 2.593,368 5.407,369 3.209,370 2.241,371 2.52,373 7.008,374 2.156,375 3.299,376 2.394,377 4.802,378 2.966,379 1.993,380 2.388,382 5.418,383 1.927,384 2.797,385 1.875,386 4.66,387 2.756,388 1.758,389 1.795,391 4.059,392 1.749,393 2.612,394 1.521,395 4.149,396 2.333,397 1.357,398 1.646,400 3.492,401 1.321,402 2.3,403 1.461,404 3.773,405 2.215,406 1.227,407 1.289,409 2.988,410 1.208,411 2.269,412 1.167,413 3.332,414 2.112,415 1.12,416 1.25,418 2.309,419 1.11,420 1.735,421 0.901,422 3.251,423 1.654,424 0.675,425 0.705,427 1.382,428 0.659,429 1.578,430 0.788,431 2.895,432 1.501,433 0.533,434 0.546,436 0.934,437 0.513,438 1.385,439 0.683,440 2.78,441 1.182,442 0.209,443 0.23,445 0.398,446 0.202,447 0.961,448 0.295,449 2.683,450 0.784,451 -0.167,452 -0.175,454 -0.327,455 -0.158,456 0.815,457 -0.032,458 2.413,459 0.656,460 -0.348,461 -0.388,463 -0.671,464 -0.345,465 0.613,466 -0.349,467 2.343,468 0.319,469 -0.671,470 -0.751,472 -1.763,473 -0.658,474 11.967,475 0.479,476 0.592,477 0.024,478 23.5,479 0.94,480 8,481 0.32,482 15.5,483 0.62,484 28.072,485 1.123,486 29.433,487 0.516,488 14.779,489 0.591,490 3.762,491 0.15,492 8.318,493 0.333,494 0.153,495 0.042,496 0.242,501 0.794,502 1.474,503 1.005,504 1.307,505 0.617,506 1.193,507 0.623,508 1.098,509 0.952,510 1.045,511 0.385,512 1.027,513 0.963,514 1.043,515 1.002,516 1.023,517 0.666,518 1.012,519 0.937,520 1.177,521 1.077,522 1.18,523 0.868,524 1.15,525 1.098,526 0.951,527 0.886,528 0.923,529 1.138,530 0.887,531 1.764,532 0.915,533 1.095,534 0.911,535 1.534,536 0.938,537 1.493,538 1.097,539 0.982,540 1.016,541 1.702,542 0.957,543 2.555,544 0.86,545 1.369,546 0.892,547 3.408,548 0.993,549 5.5,550 0.094,551 3.333,552 2.396,553 1.366,554 0.663,555 0.497,556 0.322,557 0.201,558 0.135,559 7214,560 12639,561 2.028,562 56.1,563 12,564 10,567 1,569 9,572 1.676,573 1.887,574 3.492,575 -0.396,582 76.236,583 1.337,584 2.899,585 4.324,586 5.197,587 5.267,588 5.267,589 3.049,590 4.644,591 4.603,592 3.666,593 1099.73,594 7.944,595 13553.1,597 1,600 332.475,601 1.571,602 4.56,603 0.204,604 0.006,605 0.088,606 0.061,607 0.041,608 0.023,609 0.021,610 0.014,611 0.011,612 0.008,613 0.477,614 0.33,615 1,616 2.201,617 122.228,618 0.017,619 -0.139,620 0.062,621 -0.05,622 -0.009,623 0.001,624 0.307,625 0.085,626 0.085,627 0.054,628 0.25,629 0.048,630 -0.056,631 0.031,632 -0.002,633 0.018,634 0.009,635 0.017,636 -0.036,637 -0.158,638 -0.095,639 -0.153,640 0.004,641 -0.134,642 0.004,643 -0.031,644 0.095,645 0.009,646 0.003,647 0.056,648 -0.099,649 0.021,650 -0.044,651 0.026,652 -0.141,653 -0.002,654 -0.036,655 -0.127,656 0.056,657 -0.058,658 -0.054,660 -0.228,661 0.138,662 -0.22,663 0.014,664 -0.301,665 -0.09,666 2.002,667 5.01,668 0.48,669 26.173,670 0.984,671 1.134,672 3.396,673 11.53,674 0.62,675 3.332,676 3.664,677 3.97,678 4.277,679 4.489,680 4.615,681 4.787,682 4.868,683 4.852,684 4.868,685 6.713,686 0.568,687 344.55,688 3.332,689 4.875,690 5.74,691 6.645,692 7.547,693 8.472,694 9.395,695 10.332,696 11.267,697 12.211,698 3.5,701 1,705 1,715 3,720 3,722 6,737 1,741 57,743 7,744 1,745 27,747 59,748 21,749 6,750 3,751 3,756 3,757 6,763 3,764 1,766 1,767 3,770 7,772 7,773 14,777 1,782 1,786 1,793 32,794 4,795 1,796 4,802 2,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 3,868 25,876 9,877 1,878 1,880 1,881 1,882 1,893 3.5,896 1,898 1,901 13.25,902 10.867,903 5.681,904 4.149,907 1.288,908 1.176,909 0.928,910 5.932,911 8.585,912 3.466,913 3.942,914 4.41,915 4.923,916 5.398,917 5.648,918 6.016,919 6.271,920 6.329,921 6.416,922 1,923 39,924 9.339,926 3.896,927 0.026,929 7.49,931 18.702,933 15.843,936 1.99,937 49.75,938 0.001,939 1,940 1,941 364.904,942 94.806,943 21.135,945 36.145,948 94.806,949 401.049,950 21.135,951 26.476,952 39.535,953 28.429,954 25.145,955 25.739,956 6.763,957 364.904,959 364.904,960 115.941,961 36.145,964 258.964,965 142.085,968 69.135,969 46.806,972 364.904,973 57.28,974 94.806,977 364.904,978 39.901,979 58.029,980 18.011,981 36.145,982 364.904,983 57.28,984 94.806,986 0.57,987 0.337,988 0.183,989 0.099,990 18,991 8,992 0.136,993 8,994 2,995 1.333,996 3.723,997 201.569,998 0.333,999 12,1000 116.096,1005 18.567,1006 7.988,1007 3.814,1009 57.28,1010 6.192,1015 3.46,1017 18.011,1018 516.99,1019 31,1024 12.01,1028 -0.335,1031 56.112,1032 64.643,1034 0.229,1035 0.497,1036 0.741,1037 0.891,1038 0.903,1039 0.903,1040 4.741,1041 1.227,1042 5.759,1043 3.492,1044 4.344,1045 4.625,1046 2.351,1047 6.673,1048 4.283,1049 5.914,1050 1.12,1051 7.386,1052 2.988,1053 4.111,1054 4.494,1055 1.847,1056 8.069,1057 4.039,1058 7.235,1059 0.675,1060 9.143,1061 2.309,1062 6.061,1063 6.665,1064 3.504,1065 11.224,1066 5.958,1067 8.6,1068 0.533,1069 10.988,1070 1.382,1071 6.735,1072 7.368,1073 3.598,1074 13.535,1075 6.639,1076 10.009,1077 0.209,1078 12.894,1079 0.934,1080 8.205,1081 9.081,1082 4.907,1083 16.344,1084 8.091,1085 11.45,1086 -0.167,1087 14.843,1088 0.398,1089 9.269,1090 10.151,1091 5.29,1092 18.938,1093 9.165,1094 12.916,1095 -0.348,1096 16.824,1097 -0.327,1098 10.601,1099 11.699,1100 6.387,1101 21.668,1102 10.489,1103 3.685,1104 -0.671,1105 18.829,1106 -0.671,1107 11.817,1108 12.943,1109 6.93,1110 24.341,1111 11.709,1112 2.696,1113 14.943,1114 20.852,1115 -1.763,1116 13.118,1117 14.424,1118 7.902,1119 27.053,1120 13.004,1121 2.426,1122 8.716,1123 22.887,1124 4.16,1125 14.389,1126 15.754,1127 8.539,1128 29.748,1129 14.273,1130 2.241,1131 7.464,1132 24.931,1133 3.314,1134 15.686,1135 17.205,1136 9.436,1137 32.454,1138 15.565,1139 1.993,1140 7.008,1141 26.983,1142 2.875,1143 16.977,1144 18.579,1145 10.13,1146 35.156,1147 16.85,1148 1.758,1149 5.418,1150 29.039,1151 2.52,1152 18.277,1153 20.016,1154 10.981,1155 37.861,1156 18.143,1157 1.357,1158 4.059,1159 31.099,1160 2.388,1161 19.575,1162 21.413,1163 11.71,1164 40.564,1165 19.434,1166 7202,1167 9681,1168 17.682,1169 35.341,1170 39.972,1171 40.988,1172 42.158,1173 39.851,1174 39.841,1175 45.439,1176 6.705,1177 118.221,1178 38.645,1179 5.743,1180 5.899,1181 7.886,1182 5.753,1183 5.685,1184 7.16,1185 3.889,1186 23.402,1187 5.652,1188 12.991,1189 1.48,1190 1.518,1191 1.561,1192 1.476,1193 1.476,1194 1.683,1195 0.248,1196 4.379,1197 1.431,1198 4.099,1199 4.132,1200 4.037,1201 4.028,1202 7.435,1203 4.026,1204 3.771,1205 3.837,1206 3.656,1207 3.625,1208 4.819,1209 3.611,1210 3.712,1211 3.76,1212 3.584,1213 3.577,1214 4.418,1215 3.578,1216 3.53,1217 3.6,1218 3.401,1219 3.314,1220 4.252,1221 3.317,1222 3.404,1223 3.486,1224 3.205,1225 3.24,1226 4.135,1227 3.219,1228 3.283,1229 3.335,1230 3.116,1231 3.076,1232 4.008,1233 3.081,1234 3.134,1235 3.212,1236 2.959,1237 2.937,1238 3.931,1239 2.943,1240 3.076,1241 3.184,1242 2.819,1243 2.881,1244 3.651,1245 2.852,1246 0.177,1247 0.144,1248 0.294,1249 0.173,1250 0.136,1251 4.78,1252 0.154,1253 3.899,1254 0.081,1255 7.933,1256 0.553,1257 4.675,1258 0.135,1259 3.685,1260 4.16,1261 2.186,1262 14.943,1263 3.652,1264 1.911,1265 1.893,1266 2.025,1267 1.997,1268 1.353,1269 2.002,1270 1.764,1271 1.698,1272 2.011,1273 1.936,1274 1.312,1275 1.967,1276 1.677,1277 1.623,1278 1.892,1279 1.863,1280 1.218,1281 1.876,1282 1.591,1283 1.52,1284 1.843,1285 1.774,1286 1.072,1287 1.798,1288 1.499,1289 1.423,1290 1.794,1291 1.733,1292 1.034,1293 1.755,1294 1.284,1295 1.214,1296 1.606,1297 1.517,1298 0.828,1299 1.546,1300 1.181,1301 1.118,1302 1.481,1303 1.465,1304 0.64,1305 1.477,1306 1.075,1307 0.986,1308 1.444,1309 1.314,1310 0.596,1311 1.364,1312 4.007,1314 5.333,1315 3.045,1316 6.862,1317 5.587,1318 8.501,1319 7.832,1320 10.212,1322 6.801,1328 9.858,1329 2.86,1330 5.529,1332 0.593,1333 2.587,1334 0.196,1340 32.374,1341 76.236,1342 165.24,1343 246.461,1344 296.21,1345 300.21,1346 300.21,1347 44.424,1348 7.297,1349 41.57,1350 41.57,1351 16,1352 12.706,1353 3,1354 2.322,1355 42.151,1356 99,1357 131,1358 0.211,1359 199.901,1360 352.9,1361 479.518,1362 13638,1364 17.864,1365 0.715,1366 0.637,1367 17.864,1368 15.937,1369 12.08,1370 0.447,1371 0.367,1372 9.821,1373 11.711,1374 9.503,1375 7.945,1376 12.08,1377 9.913,1378 10.644,1379 0.28,1380 0.203,1381 10.644,1382 7.712,1383 9.036,1384 0.174,1385 0.118,1386 9.036,1387 6.121,1388 7.566,1389 0.107,1390 0.064,1391 7.566,1392 4.571,1393 6.001,1394 0.068,1395 0.036,1396 6.001,1397 3.17,1398 0.337,1399 74.902,1400 0.238,1401 24.622,1402 0.563,1403 130,1404 297.449,1405 140.889,1406 284.739,1407 395.17,1408 268,1409 155,1410 297.064,1411 164.812,1412 298.493,1413 442.25,1414 282,1415 6.633}
{0 CHEMBL359288,1 1.387,2 7.842,3 4.662,4 21.731,5 75.355,6 6.773,7 0.3,8 3.698,9 3.816,10 3.182,11 3.238,12 4.771,13 3.196,14 4.254,15 4.447,16 3.508,17 3.623,18 5.264,19 3.549,20 4.497,21 4.695,22 3.577,23 3.805,24 5.469,25 3.699,26 4.632,27 4.869,28 3.455,29 3.765,30 5.612,31 3.64,32 4.425,33 4.661,34 3.362,35 3.631,36 5.416,37 3.508,38 4.315,39 4.545,40 3.157,41 3.454,42 5.335,43 3.328,44 4.158,45 4.418,46 2.979,47 3.238,48 5.152,49 3.106,50 3.974,51 4.211,52 2.769,53 3.042,54 5.072,55 2.935,56 0.02,57 0.502,58 8.431,59 3.725,60 7.535,61 4.989,62 0.317,63 0.818,64 15.847,65 6.087,66 24.493,67 8.49,68 0.106,69 0.994,70 19.976,71 8.414,72 23.294,73 11.37,74 0.313,75 1.048,76 24.206,77 8.784,78 52.085,79 11.899,80 0.147,81 0.904,82 19.063,83 7.339,84 29.425,85 10.231,86 0.192,87 0.778,88 17.395,89 6.321,90 33.724,91 8.655,92 0.133,93 0.665,94 14.878,95 5.264,96 28.907,97 7.495,98 0.207,99 0.558,100 12.68,101 3.783,102 36.122,103 5.337,104 26,105 27,106 0.253,107 0.6,108 0.791,109 0.833,110 0.833,111 0.833,112 3.01,113 0.985,114 -4.58,115 -4.5,116 -4.23,121 42.1,123 4,124 1,126 2,142 1,143 1,144 3,145 2,146 1,161 1,176 12,179 3,180 2,187 16,192 2,200 16,206 6,214 11,219 7,227 7,232 6,239 3,244 7,251 1,256 4,269 2,281 407,282 12.646,283 12.646,284 12.646,285 12.646,286 12.646,287 11.609,288 14.592,289 7.581,290 12.866,291 9.821,292 9.821,293 9.821,294 9.821,295 9.821,296 8.098,297 11.791,298 3.495,299 10.144,300 3.861,301 1.95,302 0.902,303 0.671,304 0.671,305 0.671,306 3.666,311 1,312 1,313 302,314 3.317,318 93.304,322 79.951,325 1.235,326 16.176,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 40.5,338 149,339 4.365,340 3.763,341 6.528,342 4.063,343 3.069,344 3.969,345 2.208,346 10.3,347 3.053,348 3.914,349 3.309,350 5.808,351 3.623,352 2.694,353 3.141,354 0.655,355 7.841,356 2.48,357 3.577,358 2.639,359 5.262,360 3.227,361 2.258,362 2.751,363 0.13,364 6.461,365 2.192,366 3.443,367 2.45,368 5.129,369 3.012,370 2.032,371 2.421,373 6.064,374 1.981,375 3.143,376 1.978,377 4.143,378 2.428,379 1.435,380 1.894,382 3.589,383 1.423,384 2.601,385 1.941,386 3.543,387 2.227,388 1.229,389 1.533,391 2.546,392 1.227,393 2.329,394 1.476,395 3.445,396 2.007,397 1.052,398 1.231,400 2.36,401 0.986,402 2.203,403 0.968,404 3.084,405 1.792,406 0.793,407 1.053,409 1.548,410 0.79,411 1.419,412 0.712,413 2.566,414 1.018,415 0.036,416 0.045,418 0.077,419 0.035,420 1.055,421 0.043,422 2.361,423 0.644,424 -0.343,425 -0.427,427 -0.705,428 -0.335,429 0.686,430 -0.353,431 2.234,432 0.34,433 -0.659,434 -0.822,436 -1.585,437 -0.656,438 0.593,439 -0.469,440 2,441 0.197,442 -0.8,443 -1,445 -1.874,446 -0.791,447 0.26,448 -0.6,449 1.601,450 -0.084,451 -1,452 -1.073,454 -2,455 -0.9,457 -0.683,458 1.472,459 -0.1,460 -1.084,461 -1.471,463 -2.899,464 -1.08,465 -0.19,466 -0.992,467 1.324,468 -0.426,469 -1.408,470 -1.77,472 -3.903,473 -1.383,474 9.067,475 0.477,476 0.473,477 0.025,478 21.5,479 1.132,480 10,481 0.526,482 11.5,483 0.605,484 15.374,485 0.809,486 20.933,487 0.551,488 14.503,489 0.763,490 4.143,491 0.218,492 4.971,493 0.262,494 0.202,496 0.32,501 0.727,502 1.356,503 0.866,504 1.195,505 0.595,506 1.069,507 0.572,508 0.804,509 0.871,510 0.862,511 0.42,512 0.887,513 0.839,514 1.18,515 0.994,516 1.22,517 0.675,518 1.146,519 1.53,520 0.891,521 1.099,522 0.897,523 1.41,524 0.945,525 0.916,526 1.067,527 0.971,528 1.063,529 0.963,530 1.029,531 1.393,532 1.079,533 1.147,534 1.07,535 1.133,536 1.08,537 1.044,538 1.098,539 0.936,540 1.019,541 1.171,542 0.972,543 1.985,544 0.925,545 1.348,546 0.869,547 2.323,548 0.986,549 4,551 2.222,552 1,553 1.107,554 0.493,555 0.445,556 0.306,557 0.148,558 0.071,559 2866,560 7202,561 1.965,562 50,563 9,564 9,565 1,572 1.605,573 1.81,574 3.005,575 -0.828,582 52.711,583 1.387,584 3.298,585 4.346,586 4.577,587 4.577,588 4.577,589 2.484,590 3.827,591 4.217,592 3.114,593 532.526,594 7.197,595 5224.83,597 1,600 199.421,601 1.509,602 4.159,603 0.2,605 0.082,606 0.036,607 0.046,608 0.022,609 0.026,610 0.022,611 0.013,612 0.012,613 0.46,614 0.83,615 1,616 1.604,617 81.981,618 0.016,619 -0.189,620 0.052,621 -0.094,622 0.002,623 -0.03,624 0.357,625 0.304,626 0.092,627 0.146,628 0.183,629 0.098,630 0.002,631 -0.177,632 -0.055,633 -0.178,634 0.028,635 -0.131,636 -0.195,637 0.041,638 -0.088,639 0.07,640 -0.153,641 0.011,642 -0.026,643 -0.083,644 -0.01,645 -0.074,646 -0.039,647 -0.044,648 -0.15,649 -0.12,650 -0.147,651 -0.103,652 -0.157,653 -0.124,654 -0.013,655 -0.15,656 0.052,657 -0.076,658 -0.036,659 -0.016,660 -0.358,661 0.102,662 -0.29,663 0.016,664 -0.261,665 -0.102,666 2.024,667 4.559,668 0.526,669 13.54,670 0.992,671 1.122,672 3.346,673 11.195,674 0.652,675 3.045,676 3.332,677 3.555,678 3.761,679 4.007,680 4.007,681 4.111,682 4.159,683 4.094,684 3.738,685 4.838,686 0.61,687 257.36,688 3.045,689 4.554,690 5.38,691 6.24,692 7.094,693 7.962,694 8.826,695 9.697,696 10.566,697 11.439,698 2.6,705 1,715 3,720 3,722 6,737 1,741 38,743 8,744 1,745 20,747 39,748 16,749 6,750 3,751 3,756 2,757 3,767 3,768 1,770 4,771 2,772 7,773 7,774 1,777 1,782 1,786 1,790 1,793 19,794 3,796 3,802 1,808 0.5,809 2,829 2,833 1,836 1,837 1,859 1,864 2,868 19,876 4,878 1,880 1,881 1,885 1,886 1,891 1,893 5.3,896 1,898 1,901 10.5,902 7.45,903 4.333,904 2.332,907 1.502,908 1.238,909 0.927,910 4.367,911 7.81,912 3.296,913 3.75,914 4.193,915 4.667,916 5.187,917 5.351,918 5.638,919 5.83,920 5.897,921 5.498,922 1,923 28,924 7.014,926 2.854,927 0.026,929 7.763,931 13.518,933 10.843,936 2.263,937 43,938 0.001,941 223.651,942 114.089,943 3.124,945 36.145,948 114.089,949 259.796,950 3.124,951 16.793,952 13.262,953 28.429,954 25.145,955 22.614,956 58.885,957 211.88,959 223.651,960 117.213,961 36.145,964 223.651,965 36.145,968 13.262,969 86.92,970 17.031,972 223.651,973 39.269,974 114.089,977 223.651,978 28.515,979 48.346,980 17.031,981 59.466,982 223.651,983 39.269,984 114.089,986 0.57,987 0.33,988 0.168,989 0.099,990 12,991 6,992 0.077,993 3,994 1,995 1.2,996 3.058,997 133.017,998 0.2,999 10,1000 78.711,1005 13.8,1006 6.013,1007 3.229,1009 39.269,1010 5.882,1015 3.172,1018 377.009,1019 26,1024 11.559,1028 -0.357,1031 37.709,1032 42.654,1034 0.264,1035 0.628,1036 0.828,1037 0.872,1038 0.872,1039 0.872,1040 4.538,1041 0.793,1042 5.361,1043 2.36,1044 4.007,1045 4.431,1046 2.32,1047 6.146,1048 3.949,1049 5.721,1050 0.036,1051 6.911,1052 1.548,1053 3.611,1054 4.182,1055 1.847,1056 7.024,1057 3.507,1058 7.009,1059 -0.343,1060 8.562,1061 0.077,1062 5.572,1063 6.465,1064 3.527,1065 10.094,1066 5.459,1067 8.325,1068 -0.659,1069 10.271,1070 -0.705,1071 5.969,1072 7.018,1073 3.656,1074 11.787,1075 5.82,1076 9.67,1077 -0.8,1078 12.016,1079 -1.585,1080 7.424,1081 8.816,1082 4.955,1083 14.38,1084 7.272,1085 11.034,1086 -1,1087 13.786,1088 -1.874,1089 8.188,1090 9.752,1091 5.37,1092 16.427,1093 8.018,1094 12.415,1095 -1.084,1096 15.574,1097 -2,1098 9.434,1099 11.342,1100 6.458,1101 18.851,1102 9.262,1103 3.069,1104 -1.408,1105 17.375,1106 -2.899,1107 10.376,1108 12.477,1109 7.028,1110 21.057,1111 10.198,1112 2.694,1113 10.3,1114 19.187,1115 -3.903,1116 11.534,1117 13.968,1118 7.994,1119 23.42,1120 11.357,1121 2.258,1122 7.841,1123 21.008,1124 3.969,1125 12.562,1126 15.209,1127 8.654,1128 25.696,1129 12.384,1130 2.032,1131 6.461,1132 22.837,1133 3.141,1134 13.686,1135 16.649,1136 9.549,1137 28.037,1138 13.511,1139 1.435,1140 6.064,1141 24.671,1142 2.751,1143 14.755,1144 17.95,1145 10.263,1146 30.344,1147 14.582,1148 1.229,1149 3.589,1150 26.512,1151 2.421,1152 15.867,1153 19.362,1154 11.116,1155 32.677,1156 15.698,1157 1.052,1158 2.546,1159 28.357,1160 1.894,1161 16.958,1162 20.696,1163 11.862,1164 34.997,1165 16.791,1166 3006,1167 4841,1168 12.83,1169 24.767,1170 30.587,1171 31.13,1172 30.684,1173 29.244,1174 29.194,1175 36.076,1176 5.986,1177 81.57,1178 28.334,1179 5.312,1180 5.763,1181 6.296,1182 5.111,1183 5.069,1184 6.969,1185 3.912,1186 17.079,1187 5.053,1188 10.648,1189 1.529,1190 1.556,1191 1.534,1192 1.462,1193 1.46,1194 1.804,1195 0.299,1196 4.078,1197 1.417,1198 4.025,1199 4.052,1200 3.961,1201 3.964,1202 7.433,1203 3.959,1204 3.663,1205 3.714,1206 3.579,1207 3.504,1208 5.429,1209 3.501,1210 3.55,1211 3.606,1212 3.439,1213 3.348,1214 4.797,1215 3.369,1216 3.407,1217 3.467,1218 3.262,1219 3.282,1220 4.309,1221 3.272,1222 3.058,1223 3.109,1224 2.918,1225 2.934,1226 4.14,1227 2.919,1228 2.977,1229 3.009,1230 2.836,1231 2.718,1232 3.881,1233 2.742,1234 2.874,1235 3.003,1236 2.566,1237 2.618,1238 3.648,1239 2.57,1240 2.727,1241 2.803,1242 2.499,1243 2.566,1244 3.467,1245 2.554,1246 0.218,1247 0.188,1248 0.326,1249 0.203,1250 0.153,1251 4.365,1252 0.198,1253 3.763,1254 0.11,1255 6.528,1256 0.515,1257 4.063,1258 0.153,1259 3.069,1260 3.969,1261 2.208,1262 10.3,1263 3.053,1264 2.008,1265 1.983,1266 2.136,1267 2.092,1268 1.468,1269 2.107,1270 1.607,1271 1.569,1272 1.801,1273 1.841,1274 0.945,1275 1.825,1276 1.507,1277 1.438,1278 1.757,1279 1.701,1280 0.913,1281 1.724,1282 1.428,1283 1.367,1284 1.674,1285 1.582,1286 0.832,1287 1.616,1288 1.064,1289 1.009,1290 1.417,1291 1.246,1292 0.469,1293 1.308,1294 0.934,1295 0.838,1296 1.328,1297 1.239,1298 0.461,1299 1.267,1300 0.86,1301 0.804,1302 1.098,1303 1.169,1304 0.19,1305 1.128,1306 0.747,1307 0.674,1308 1.054,1309 0.961,1310 0.086,1311 1.009,1312 3.714,1314 5.004,1316 6.5,1318 8.095,1320 9.743,1322 3.337,1328 4.12,1330 5.304,1332 0.395,1333 1.415,1337 5.433,1339 2.741,1340 23.192,1341 52.711,1342 125.308,1343 165.157,1344 173.911,1345 173.911,1346 173.911,1347 32.032,1348 6.308,1349 29.54,1350 29.54,1351 12,1352 11.981,1353 3.17,1354 2.807,1355 33.553,1356 55,1357 52,1358 0.315,1359 146.684,1360 262.48,1361 349.668,1362 3689,1364 13.828,1365 0.728,1366 0.604,1367 13.828,1368 11.479,1369 9.113,1370 0.456,1371 0.328,1372 6.49,1373 8.813,1374 6.243,1375 5.248,1376 9.113,1377 6.569,1378 8.04,1379 0.298,1380 0.19,1381 8.04,1382 5.12,1383 6.415,1384 0.189,1385 0.103,1386 6.415,1387 3.49,1388 4.892,1389 0.116,1390 0.059,1391 4.892,1392 2.485,1393 4.144,1394 0.077,1395 0.034,1396 4.144,1397 1.839,1398 0.478,1399 56.818,1400 0.279,1401 18.83,1402 0.903,1403 94,1404 267.116,1405 102.502,1406 258.655,1407 345.73,1408 240,1409 108,1410 248.022,1411 115.978,1412 254.151,1413 364.83,1414 235,1415 5.405}
{0 CHEMBL359312,1 1.6,2 7.813,3 2.021,4 4.084,5 61.688,6 6.947,7 0.313,8 3.546,9 3.679,10 3.033,11 2.915,12 4.768,13 2.913,14 4.036,15 4.25,16 3.262,17 3.216,18 5.03,19 3.194,20 4.176,21 4.374,22 3.255,23 3.354,24 5.199,25 3.286,26 4.313,27 4.565,28 3.229,29 3.348,30 5.321,31 3.239,32 4.264,33 4.552,34 3.073,35 3.191,36 5.28,37 3.103,38 4.069,39 4.292,40 2.872,41 3.13,42 5.175,43 3.014,44 3.966,45 4.259,46 2.663,47 3.031,48 4.838,49 2.873,50 3.767,51 4.056,52 2.409,53 2.765,54 4.844,55 2.604,56 0.087,57 0.442,58 7.379,59 2.405,60 16.932,61 3.652,62 0.274,63 0.62,64 13.157,65 3.408,66 19.301,67 5.428,68 0.259,69 0.685,70 14.975,71 4.743,72 25.632,73 6.858,74 0.321,75 0.714,76 17.563,77 4.894,78 29.93,79 7.968,80 0.364,81 0.608,82 17.497,83 4.062,84 39.763,85 6.814,86 0.375,87 0.536,88 14.057,89 4.113,90 47.017,91 6.074,92 0.17,93 0.505,94 12.405,95 3.631,96 19.866,97 5.946,98 0.138,99 0.382,100 10.21,101 2.904,102 25.052,103 4.728,104 28,105 20,106 0.306,107 0.676,108 0.852,109 0.864,110 0.875,111 0.875,112 2.85,113 0.948,114 -2.16,115 -2.21,116 -2.18,121 34.4,122 1,123 1,126 1,128 1,129 1,142 1,143 1,147 1,153 1,157 1,163 1,172 1,176 2,180 2,182 2,187 2,191 1,192 1,194 1,200 1,205 1,206 1,209 1,213 1,214 1,216 2,218 1,229 1,232 2,235 1,241 1,244 3,256 2,261 2,269 1,274 1,281 294,282 10.707,283 10.707,284 10.707,285 10.707,286 10.707,287 9.479,288 14.593,289 6.675,290 11.13,291 7.802,292 7.802,293 7.802,294 7.802,295 7.802,296 6.162,297 19.916,298 2.976,299 8.429,300 3.4,301 1.463,302 0.547,303 0.485,304 0.422,305 0.422,306 3.472,311 1,312 1,313 241,314 3.24,317 50.075,325 1.109,326 11.586,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 35.5,338 125,339 4.399,340 3.631,341 6.471,342 3.942,343 3.026,344 4.086,345 1.697,346 10.005,347 2.77,348 3.593,349 3.12,350 5.083,351 3.292,352 2.365,353 2.499,354 1.041,355 6.139,356 2.187,357 3.241,358 2.864,359 4.88,360 2.742,361 1.838,362 2.28,364 5.272,365 1.657,366 3.042,367 2.221,368 4.106,369 2.472,370 1.524,371 2.128,373 3.588,374 1.442,375 3.029,376 1.862,377 3.288,378 2.063,379 1.102,380 1.636,382 2.021,383 1.052,384 2.363,385 1.456,386 3.109,387 1.819,388 0.863,389 1.223,391 1.576,392 0.823,393 1.749,394 0.969,395 2.703,396 1.442,397 0.538,398 0.611,400 1.007,401 0.483,402 1.045,403 0.612,404 2,405 0.791,406 -0.157,407 -0.172,409 -0.283,410 -0.148,411 0.828,412 -0.125,413 2,414 0.411,415 -0.579,416 -0.817,418 -0.886,419 -0.57,420 0.422,421 -0.371,422 1.726,423 0.088,424 -0.841,425 -1,427 -1.56,428 -0.783,429 0.191,430 -0.715,431 1.409,432 -0.101,433 -1,434 -1.137,436 -2.579,437 -0.898,438 -0.191,439 -1.076,440 1.292,441 -0.519,442 -1.447,443 -1.719,445 -3.327,446 -1.301,447 -0.313,448 -1.312,449 0.828,450 -0.698,451 -1.662,452 -2.122,454 -4.121,455 -1.554,456 -0.511,457 -1.471,458 0.639,459 -0.8,460 -1.712,461 -2.251,463 -4.919,464 -1.626,465 -0.518,466 -1.722,467 0.241,468 -0.956,469 -1.893,470 -2.538,471 -1.041,472 -5.423,473 -1.737,474 7.367,475 0.46,476 0.315,477 0.02,478 17,479 1.063,480 6.5,481 0.406,482 10.5,483 0.656,484 11.498,485 0.719,486 18.733,487 0.585,488 11.569,489 0.723,490 3.857,491 0.241,492 3.828,493 0.239,494 0.249,496 0.244,501 0.874,502 1.764,503 0.879,504 1.394,505 0.855,506 1.176,507 1.187,508 0.946,509 0.968,510 0.819,511 0.612,512 0.829,513 1.22,514 1.107,515 1.157,516 1.195,517 0.858,518 1.182,519 0.682,520 1.231,521 0.973,522 1.231,523 0.553,524 1.167,525 1.159,526 0.672,527 0.935,528 0.704,529 1.002,530 0.744,531 1.379,532 1.011,533 1.245,534 1.027,535 1.762,536 1.13,537 0.621,538 0.931,539 0.942,540 0.963,541 0.522,542 0.994,543 0.744,544 1.009,545 0.984,546 1.084,547 1.114,548 1.073,549 3,551 2,552 1.167,553 0.57,554 0.358,555 0.274,556 0.135,557 0.081,558 0.02,559 1729,560 5421,561 1.861,562 50,564 4,565 4,566 2,567 1,569 5,572 1.55,573 1.714,574 2.966,575 -0.168,577 1,578 1,579 1,582 51.191,583 1.6,584 3.537,585 4.453,586 4.515,587 4.578,588 4.578,589 2.43,590 3.75,591 3.966,592 3.075,593 368.942,594 6.679,595 3279.41,597 1,599 1,600 160,601 1.5,602 3.906,603 0.188,605 0.1,606 0.061,607 0.034,608 0.024,609 0.023,610 0.013,611 0.012,612 0.007,613 0.461,614 0.67,615 1,616 2.25,617 65.5,618 0.07,619 -0.452,620 0.048,621 -0.227,622 0.025,623 -0.122,624 -0.089,625 0.189,626 0.02,627 0.152,628 -0.037,629 0.118,630 -0.137,631 -0.016,632 -0.197,633 -0.139,634 -0.127,635 -0.183,636 0.174,637 -0.239,638 -0.023,639 -0.259,640 0.111,641 -0.193,642 -0.084,643 0.219,644 0.074,645 0.155,646 -0.012,647 0.163,648 -0.111,649 -0.085,650 -0.253,651 -0.018,652 -0.253,653 -0.157,654 -0.036,655 0.019,656 -0.025,657 0.007,658 0.039,659 0.001,660 -0.033,661 -0.104,662 -0.049,663 -0.132,664 -0.026,665 -0.092,666 1.323,667 2.524,668 0.313,669 11.422,670 1.006,671 1.144,672 0.934,673 0.873,674 0.621,675 2.833,676 3.045,677 3.219,678 3.367,679 3.296,680 3.178,681 3.135,682 2.996,683 2.565,684 2.197,685 4.679,686 0.591,687 222.3,688 2.833,689 4.29,690 5.081,691 5.911,692 6.732,693 7.573,694 8.408,695 9.254,696 10.095,697 10.944,698 9.4,706 1,707 1,708 1,715 2,720 1,721 2,722 5,726 1,741 32,743 7,745 16,747 32,748 11,749 3,752 1,756 1,757 1,763 1,770 2,771 2,772 4,773 5,777 1,784 1,785 1,790 1,793 16,794 3,795 1,796 5,799 1,802 3,803 1,808 1,809 2,828 1,836 1,837 1,857 1,858 1,859 1,864 2,868 16,875 1,876 2,878 1,880 1,885 1,886 1,891 1,893 6.3,897 1,898 1,901 9.333,902 6.183,903 3.889,904 1.736,907 1.372,908 1.254,909 0.863,910 5.031,911 6.775,912 3.114,913 3.534,914 3.977,915 4.475,916 4.514,917 4.515,918 4.626,919 4.6,920 4.429,921 4.454,922 1,923 19,924 5.808,926 2.2,927 0.026,929 7.938,931 10.876,933 7.916,936 2.438,937 39,938 0.002,941 176.567,942 93.742,943 17.046,945 53.806,948 93.742,949 230.372,950 17.046,951 17.222,952 6.698,953 9.047,954 47.817,955 67,956 87.436,957 105.94,959 176.567,960 110.787,961 53.806,964 117.711,965 101.661,966 11,968 42.045,969 40.765,970 27.977,972 176.567,973 70.851,974 93.742,977 176.567,978 9.026,979 48.162,980 17.031,981 90.374,982 176.567,983 70.851,984 93.742,986 0.544,987 0.314,988 0.17,989 0.081,990 7,991 4,992 0.156,993 5,995 1,996 2.798,997 93.431,999 5,1000 64,1005 12.756,1006 6.31,1007 3.656,1009 67.053,1010 3.7,1015 0.746,1016 3.654,1017 42.806,1018 341.159,1019 21.5,1026 1.356,1027 3.009,1031 32.203,1032 36.613,1034 0.32,1035 0.707,1036 0.891,1037 0.903,1038 0.916,1039 0.916,1040 4.307,1041 -0.157,1042 5.03,1043 1.007,1044 3.714,1045 4.212,1046 2.189,1047 5.771,1048 3.557,1049 5.488,1050 -0.579,1051 6.553,1052 -0.283,1053 3.219,1054 3.861,1056 6.629,1057 2.966,1058 6.763,1059 -0.841,1060 8.185,1061 -0.886,1062 5.22,1063 6.271,1064 2.993,1065 9.687,1066 4.888,1067 8.075,1068 -1,1069 9.882,1070 -1.56,1071 5.602,1072 6.895,1074 11.437,1075 5.164,1076 9.42,1077 -1.447,1078 11.623,1079 -2.579,1080 7.054,1081 8.711,1082 3.938,1083 14,1084 6.541,1085 10.791,1086 -1.662,1087 13.395,1088 -3.327,1089 7.838,1090 9.793,1092 16.093,1093 7.225,1094 12.184,1095 -1.712,1096 15.189,1097 -4.121,1098 9.072,1099 11.365,1100 4.951,1101 18.492,1102 8.378,1103 3.026,1104 -1.893,1105 16.999,1106 -4.919,1107 10.037,1108 12.642,1110 20.716,1111 9.248,1112 2.365,1113 10.005,1114 18.823,1115 -5.423,1116 11.187,1117 14.116,1118 5.992,1119 23.056,1120 10.313,1121 1.838,1122 6.139,1123 20.656,1124 4.086,1125 12.23,1126 15.472,1128 25.329,1129 11.265,1130 1.524,1131 5.272,1132 22.497,1133 2.499,1134 13.349,1135 16.907,1136 7.044,1137 27.647,1138 12.296,1139 1.102,1140 3.588,1141 24.344,1142 2.28,1143 14.427,1144 18.294,1146 29.938,1147 13.284,1148 0.863,1149 2.021,1150 26.196,1151 2.128,1152 15.536,1153 19.713,1154 8.099,1155 32.247,1156 14.305,1157 0.538,1158 1.576,1159 28.051,1160 1.636,1161 16.629,1162 21.112,1164 34.545,1165 15.308,1166 1932,1167 3479,1168 9.94,1169 19.875,1170 24.019,1171 25.373,1172 24.28,1173 22.505,1174 22.513,1175 28.927,1176 5.476,1177 59.214,1178 20.827,1179 5.269,1180 5.477,1181 6.244,1182 5.029,1183 4.992,1184 6.794,1185 3.394,1186 16.513,1187 4.567,1188 9.473,1189 1.501,1190 1.586,1191 1.517,1192 1.407,1193 1.407,1194 1.808,1195 0.342,1196 3.701,1197 1.302,1198 4.028,1199 4.092,1200 3.98,1201 3.808,1202 6.546,1203 3.844,1204 3.685,1205 3.731,1206 3.567,1207 3.554,1208 5.43,1209 3.549,1210 3.27,1211 3.338,1212 3.176,1213 3.088,1214 4.863,1215 3.087,1216 3.249,1217 3.315,1218 3.129,1219 2.953,1220 4.504,1221 2.988,1222 3.141,1223 3.232,1224 2.933,1225 2.914,1226 4.04,1227 2.906,1228 2.872,1229 2.968,1230 2.602,1231 2.635,1232 3.848,1233 2.613,1234 2.556,1235 2.673,1236 2.254,1237 2.327,1238 3.652,1239 2.287,1240 2.409,1241 2.466,1242 2.196,1243 1.937,1244 3.215,1245 2.006,1246 0.275,1247 0.227,1248 0.404,1249 0.246,1250 0.189,1251 4.399,1252 0.255,1253 3.631,1254 0.106,1255 6.471,1256 0.625,1257 3.942,1258 0.173,1259 3.026,1260 4.086,1261 1.697,1262 10.005,1263 2.77,1264 1.702,1265 1.656,1266 1.907,1267 1.938,1268 1.117,1269 1.916,1270 1.62,1271 1.555,1272 1.793,1273 1.843,1274 0.914,1275 1.839,1276 1.524,1277 1.459,1278 1.702,1279 1.732,1280 0.823,1281 1.736,1282 1.216,1283 1.156,1284 1.502,1285 1.431,1286 0.497,1287 1.436,1288 1.052,1289 0.968,1290 1.344,1291 1.383,1292 0.358,1293 1.382,1294 0.884,1295 0.79,1296 1.254,1297 1.165,1298 0.313,1299 1.205,1300 0.61,1301 0.499,1302 1.024,1303 0.929,1305 0.947,1306 0.441,1307 0.35,1308 0.77,1309 0.84,1311 0.855,1312 3.497,1314 4.727,1315 2.398,1316 6.142,1317 4.727,1318 7.648,1319 6.783,1320 9.208,1322 3.779,1327 8.524,1328 0.96,1330 5.533,1332 0.011,1337 5.185,1339 2.543,1340 18.918,1341 51.191,1342 113.191,1343 142.49,1344 144.49,1345 146.49,1346 146.49,1347 25.696,1348 5.403,1349 50.63,1350 50.63,1351 5,1352 11.505,1353 3,1354 2.7,1355 34.566,1356 43,1357 48,1358 0.402,1359 124.095,1360 214.3,1361 294.551,1362 1083,1364 11.966,1365 0.748,1366 0.597,1367 11.966,1368 9.551,1369 7.685,1370 0.48,1371 0.316,1372 4.929,1373 7.179,1374 4.748,1375 4.024,1376 7.685,1377 5.054,1378 6.238,1379 0.312,1380 0.181,1381 6.238,1382 3.612,1383 4.763,1384 0.198,1385 0.097,1386 4.763,1387 2.317,1388 3.717,1389 0.133,1390 0.05,1391 3.717,1392 1.402,1393 2.4,1394 0.092,1395 0.028,1396 2.4,1397 0.72,1398 0.619,1399 49.564,1400 0.317,1401 16.403,1402 1.122,1403 72,1404 243.508,1405 82.699,1406 231.757,1407 301.42,1408 214,1409 80,1410 212.769,1411 91.34,1412 213.725,1413 295.97,1414 196,1415 5.059}
{0 CHEMBL359412,1 1.498,2 8.722,3 2.319,4 5.376,5 70.68,6 6.309,7 0.263,8 3.769,9 3.909,10 3.189,11 3.167,12 4.786,13 3.135,14 4.349,15 4.568,16 3.439,17 3.574,18 5.165,19 3.495,20 4.597,21 4.853,22 3.427,23 3.719,24 5.344,25 3.574,26 4.691,27 4.984,28 3.325,29 3.596,30 5.461,31 3.436,32 4.472,33 4.764,34 3.169,35 3.343,36 5.34,37 3.229,38 4.31,39 4.575,40 2.959,41 3.262,42 5.214,43 3.132,44 4.163,45 4.451,46 2.938,47 3.275,48 4.844,49 3.126,50 4.17,51 4.444,52 2.907,53 3.28,54 4.925,55 3.124,56 0.083,57 0.56,58 10.195,59 3.482,60 12.583,61 5.278,62 0.274,63 0.859,64 18.377,65 5.666,66 16.417,67 8.767,68 0.212,69 0.976,70 22.938,71 7.769,72 17.5,73 11.757,74 0.444,75 0.889,76 25.703,77 6.948,78 30.5,79 11.333,80 0.36,81 0.684,82 20.883,83 5.112,84 32.028,85 8.434,86 0.446,87 0.622,88 17.933,89 4.593,90 38.667,91 7.331,92 0.148,93 0.633,94 14.675,95 4.601,96 11.584,97 7.385,98 0.155,99 0.636,100 14.865,101 4.632,102 15.334,103 7.405,104 7,105 24,106 0.274,107 0.536,108 0.731,109 0.797,110 0.831,111 0.831,112 2.958,113 1.058,114 -2.81,115 -2.82,116 -2.73,121 32.5,123 5,124 1,126 1,127 1,128 1,147 1,153 1,157 1,163 1,172 1,176 6,180 1,182 2,187 6,191 1,192 2,194 1,200 3,205 1,206 2,209 1,213 1,216 1,218 1,219 1,229 2,232 1,235 1,241 2,244 3,253 1,256 4,261 1,269 3,274 2,281 368,282 12.405,283 12.405,284 12.405,285 12.405,286 12.405,287 11.385,288 13.118,289 7.745,290 12.809,291 9.353,292 9.353,293 9.353,294 9.353,295 9.353,296 8.04,297 18.506,298 3.588,299 9.95,300 3.824,301 2.386,302 1.318,303 0.957,304 0.769,305 0.769,306 3.618,310 1,311 1,312 1,313 325,314 2.646,317 54.138,318 63.093,325 1.228,326 9.919,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 39.5,338 157,339 4.399,340 3.631,341 6.47,342 3.94,343 3.024,344 4.086,345 1.697,346 10.003,347 2.769,348 3.523,349 3.098,350 5.341,351 3.508,352 2.52,353 2.528,354 1.041,355 6.967,356 2.49,357 3.164,358 2.644,359 4.95,360 2.803,361 1.912,362 2.326,364 5.413,365 1.701,366 3.041,367 2.232,368 4.112,369 2.507,370 1.545,371 2.128,373 3.605,374 1.49,375 2.553,376 1.736,377 3.674,378 2.469,379 1.509,380 1.554,382 3.211,383 1.441,384 2.363,385 1.459,386 3.324,387 2,388 1.033,389 1.233,391 2.276,392 1,393 2.095,394 1.317,395 3.247,396 1.912,397 1,398 1.068,400 2.136,401 0.9,402 2,403 1,404 3.109,405 1.807,406 0.856,407 1,409 1.557,410 0.811,411 1.197,412 0.689,413 2.614,414 1.069,415 0.132,416 0.138,418 0.276,419 0.123,420 0.782,421 0.372,422 2,423 0.639,424 -0.311,425 -0.332,427 -0.616,428 -0.292,429 0.42,430 -0.251,431 1.925,432 0.153,433 -0.79,434 -0.85,436 -1.514,437 -0.746,438 0.251,439 -0.672,440 1.622,441 0.021,442 -0.897,443 -1,445 -1.922,446 -0.823,448 -1,449 1.555,451 -1,452 -1.07,454 -2.347,455 -1,456 -0.036,457 -1.005,458 1.394,459 -0.369,460 -1.292,461 -1.456,463 -3.185,464 -1.175,465 -0.313,466 -1.441,467 1.027,468 -0.704,469 -1.652,470 -1.86,472 -4.325,473 -1.553,474 8.367,475 0.465,476 0.277,477 0.015,478 16.5,479 0.917,480 4.5,481 0.25,482 12,483 0.667,484 16.071,485 0.893,486 21.933,487 0.548,488 9.798,489 0.544,490 3.137,491 0.174,492 5.672,493 0.315,494 0.1,496 0.215,501 0.835,502 1.754,503 0.957,504 1.445,505 0.755,506 1.254,507 1.06,508 1.076,509 1.084,510 1.032,511 0.568,512 1.051,513 0.676,514 1.181,515 0.991,516 1.284,517 0.517,518 1.206,519 0.909,520 1.009,521 0.937,522 1.021,523 0.603,524 0.992,525 1.36,526 0.81,527 0.937,528 0.806,529 1.04,530 0.799,531 1.664,532 0.806,533 1.207,534 0.77,535 1.894,536 0.912,537 0.632,538 0.988,539 0.901,540 0.953,541 0.512,542 0.956,543 0.766,544 1.108,545 1.052,546 1.098,547 0.942,548 1.11,549 2.5,550 0.033,551 1.778,552 1.104,553 0.481,554 0.306,555 0.183,556 0.148,557 0.1,558 0.056,559 2916,560 6292,561 2.026,562 55,563 10,564 5,565 3,566 2,567 1,569 1,572 1.582,573 1.929,574 3.122,575 -0.225,577 1,579 1,582 59.909,583 1.498,584 2.936,585 4.004,586 4.365,587 4.553,588 4.553,589 2.483,590 3.725,591 4.143,592 3.245,593 496.421,594 7.008,595 4884.37,596 1,597 1,599 1,600 212.877,601 1.224,602 4.116,603 0.132,604 0.008,605 0.074,606 0.05,607 0.027,608 0.019,609 0.014,610 0.011,611 0.008,612 0.006,613 0.348,614 0.67,615 1,616 1.047,617 77.959,618 0.103,619 -0.336,620 0.069,621 -0.146,622 0.148,623 -0.065,624 -0.061,625 0.135,626 -0.071,627 0.065,628 0.001,629 0.003,630 0.053,631 -0.112,632 -0.052,633 -0.192,634 0.052,635 -0.149,636 0.123,637 -0.111,638 0.038,639 -0.099,640 0.095,641 -0.053,642 -0.055,643 0.057,644 0.083,645 0.06,646 0.076,647 0.097,648 -0.157,649 0.099,650 -0.16,651 0.144,652 -0.174,653 0.005,654 -0.037,655 0.048,656 0.023,657 0.068,658 -0.023,659 0.061,660 -0.089,661 -0.049,662 -0.115,663 -0.063,664 -0.125,665 -0.088,666 0.987,667 2.618,668 0.611,669 12.716,670 0.996,671 1.146,672 1.578,673 2.489,674 0.604,675 2.996,676 3.219,677 3.434,678 3.611,679 3.611,680 3.401,681 3.401,682 3.434,683 3.466,684 3.434,685 5.262,686 0.562,687 252.38,688 2.996,689 4.466,690 5.273,691 6.103,692 6.929,693 7.765,694 8.598,695 9.438,696 10.275,697 11.117,698 7.5,706 1,707 1,708 1,715 2,720 1,721 2,722 5,726 1,741 40,743 6,745 19,747 41,748 13,749 3,752 1,756 2,757 2,767 5,768 1,770 5,772 4,773 9,774 1,777 1,784 1,785 1,790 1,793 22,794 3,795 1,796 5,799 1,802 3,803 1,808 1,809 2,828 1,829 1,857 1,858 1,859 2,864 1,868 18,875 1,876 7,878 1,880 1,893 5,897 1,898 1,901 9.333,902 7.1,903 4.222,904 2.555,907 1.153,908 1.193,909 0.895,910 5.199,911 7.114,912 3.157,913 3.59,914 4.05,915 4.52,916 4.588,917 4.537,918 4.596,919 4.594,920 4.638,921 4.667,922 0.833,923 22,924 6.639,926 2.645,927 0.026,929 7.611,931 13.119,933 10.525,936 2.111,937 38,938 0.003,941 247.193,942 59.295,943 17.046,945 53.806,948 59.295,949 300.999,950 17.046,951 8.396,952 21.429,953 9.047,954 47.817,955 67,956 35.313,957 188.338,959 247.193,960 76.341,961 53.806,964 235.422,965 54.577,966 11,968 47.951,969 17.444,970 10.947,972 247.193,973 70.851,974 59.295,977 247.193,978 23.757,979 39.337,981 67.053,982 247.193,983 70.851,984 59.295,986 0.55,987 0.322,988 0.178,989 0.088,990 10,991 4,992 0.122,993 5,995 1,996 3.157,997 115.992,999 11,1000 71.059,1005 13.559,1006 6.902,1007 3.812,1009 67.053,1010 3.846,1015 0.821,1016 3.826,1017 42.806,1018 377.34,1019 22.5,1026 1.421,1027 3.075,1031 39.854,1032 45.858,1034 0.281,1035 0.552,1036 0.752,1037 0.82,1038 0.856,1039 0.856,1040 4.347,1041 0.856,1042 5.198,1043 2.136,1044 3.892,1045 4.27,1046 2.189,1047 5.922,1048 3.772,1049 5.468,1050 0.132,1051 6.698,1052 1.557,1053 3.219,1054 3.861,1056 6.698,1057 3.026,1058 6.719,1059 -0.311,1060 8.308,1061 0.276,1062 5.38,1063 6.286,1064 2.993,1065 9.785,1066 5.133,1067 8.014,1068 -0.79,1069 9.988,1070 -0.616,1071 5.638,1072 6.905,1074 11.502,1075 5.293,1076 9.355,1077 -0.897,1078 11.716,1079 -1.514,1080 7.186,1081 8.715,1082 3.938,1083 14.061,1084 6.799,1085 10.727,1086 -1,1087 13.477,1088 -1.922,1089 7.892,1090 9.799,1092 16.137,1093 7.392,1094 12.126,1095 -1.292,1096 15.262,1097 -2.347,1098 9.175,1099 11.366,1100 4.951,1101 18.527,1102 8.627,1103 3.024,1104 -1.652,1105 17.065,1106 -3.185,1107 10.093,1108 12.645,1110 20.74,1111 9.429,1112 2.52,1113 10.003,1114 18.882,1115 -4.325,1116 11.264,1117 14.117,1118 5.992,1119 23.074,1120 10.54,1121 1.912,1122 6.967,1123 20.708,1124 4.086,1125 12.28,1126 15.473,1128 25.341,1129 11.443,1130 1.545,1131 5.413,1132 22.543,1133 2.528,1134 13.406,1135 16.907,1136 7.044,1137 27.655,1138 12.496,1139 1.509,1140 3.605,1141 24.385,1142 2.326,1143 14.467,1144 18.294,1146 29.942,1147 13.449,1148 1.033,1149 3.211,1150 26.231,1151 2.128,1152 15.576,1153 19.713,1154 8.099,1155 32.249,1156 14.476,1157 1,1158 2.276,1159 28.081,1160 1.554,1161 16.658,1162 21.112,1164 34.546,1165 15.455,1166 2953,1167 4452,1168 12.712,1169 24.159,1170 27.354,1171 29.388,1172 28.209,1173 27.071,1174 27.061,1175 32.121,1176 5.476,1177 70.886,1178 25.446,1179 5.399,1180 5.631,1181 6.272,1182 5.031,1183 5.024,1184 6.794,1185 3.394,1186 16.502,1187 4.769,1188 7.313,1189 1.44,1190 1.547,1191 1.485,1192 1.425,1193 1.424,1194 1.691,1195 0.288,1196 3.731,1197 1.339,1198 4.031,1199 4.094,1200 3.981,1201 3.82,1202 6.546,1203 3.849,1204 3.874,1205 3.931,1206 3.733,1207 3.754,1208 4.865,1209 3.745,1210 3.398,1211 3.456,1212 3.246,1213 3.168,1214 4.511,1215 3.17,1216 3.25,1217 3.316,1218 3.161,1219 2.953,1220 4.191,1221 2.988,1222 3.157,1223 3.254,1224 2.951,1225 2.941,1226 4.039,1227 2.919,1228 3.111,1229 3.206,1230 2.866,1231 2.924,1232 3.775,1233 2.91,1234 2.903,1235 2.994,1236 2.654,1237 2.67,1238 3.474,1239 2.652,1240 2.605,1241 2.726,1242 2.326,1243 2.352,1244 3.461,1245 2.322,1246 0.232,1247 0.191,1248 0.341,1249 0.207,1250 0.159,1251 4.399,1252 0.215,1253 3.631,1254 0.089,1255 6.47,1256 0.526,1257 3.94,1258 0.146,1259 3.024,1260 4.086,1261 1.697,1262 10.003,1263 2.769,1264 1.887,1265 1.835,1266 2.11,1267 2.036,1268 1.507,1269 2.062,1270 1.645,1271 1.58,1272 1.798,1273 1.909,1274 0.976,1275 1.877,1276 1.546,1277 1.48,1278 1.741,1279 1.788,1280 0.9,1281 1.78,1282 1.308,1283 1.243,1284 1.588,1285 1.541,1286 0.825,1287 1.555,1288 1.153,1289 1.064,1290 1.513,1291 1.404,1292 0.822,1293 1.429,1294 1.055,1295 0.972,1296 1.344,1297 1.376,1298 0.412,1299 1.38,1300 0.908,1301 0.819,1302 1.275,1303 1.182,1304 0.348,1305 1.221,1306 0.666,1307 0.554,1308 1.111,1309 1.004,1310 0.286,1311 1.037,1312 3.664,1314 4.905,1315 2.398,1316 6.34,1317 4.727,1318 7.863,1319 6.783,1320 9.43,1322 1.911,1327 8.618,1328 7.996,1330 5.766,1332 0.72,1340 22.498,1341 59.909,1342 117.454,1343 160.148,1344 174.612,1345 182.122,1346 182.122,1347 25.178,1348 5.961,1349 50.63,1350 50.63,1351 11,1352 11.682,1353 2.807,1354 2.17,1355 31.174,1356 57,1357 48,1358 0.271,1359 141.741,1360 241.82,1361 337.608,1362 2596,1364 12.795,1365 0.711,1366 0.612,1367 12.795,1368 11.009,1369 8.809,1370 0.464,1371 0.353,1372 6.575,1373 8.307,1374 6.429,1375 5.39,1376 8.809,1377 6.704,1378 7.202,1379 0.3,1380 0.213,1381 7.202,1382 5.101,1383 5.863,1384 0.195,1385 0.124,1386 5.863,1387 3.724,1388 4.726,1389 0.131,1390 0.073,1391 4.726,1392 2.634,1393 3.397,1394 0.094,1395 0.048,1396 3.397,1397 1.718,1398 0.428,1399 56.398,1400 0.28,1401 18.477,1402 0.729,1403 86,1404 237.508,1405 96.035,1406 222.987,1407 295.28,1408 208,1409 97,1410 210.86,1411 108.34,1412 211.561,1413 297.79,1414 195,1415 4.377}
{0 CHEMBL359570,1 1.447,2 13.179,3 3.668,4 13.452,5 109.68,6 7.085,7 0.5,8 4.075,9 4.194,10 3.62,11 3.646,12 5.077,13 3.612,14 4.657,15 4.831,16 3.985,17 4.085,18 5.587,19 4.022,20 4.952,21 5.176,22 3.952,23 4.211,24 5.808,25 4.096,26 5.022,27 5.293,28 3.809,29 4.153,30 5.771,31 3.998,32 4.904,33 5.177,34 3.752,35 4.023,36 5.68,37 3.889,38 4.775,39 5.019,40 3.675,41 3.968,42 5.622,43 3.837,44 4.75,45 5.005,46 3.556,47 3.91,48 5.552,49 3.757,50 4.646,51 4.912,52 3.387,53 3.781,54 5.392,55 3.617,56 0.082,57 0.768,58 11.593,59 5.096,60 8.221,61 6.85,62 0.161,63 1.32,64 22.117,65 8.882,66 17.302,67 12.315,68 0.247,69 1.644,70 31.568,71 12.013,72 32.867,73 16.851,74 0.331,75 1.68,76 35.359,77 13.002,78 34.822,79 18.802,80 0.31,81 1.47,82 31.769,83 11.487,84 33.795,85 16.401,86 0.343,87 1.34,88 27.147,89 9.875,90 35.369,91 14.064,92 0.304,93 1.276,94 26.702,95 10.025,96 32.619,97 14.175,98 0.277,99 1.122,100 24.374,101 9.144,102 28.104,103 12.966,104 2,105 45,106 0.239,107 0.581,108 0.761,109 0.827,110 0.835,111 0.835,112 3.374,113 0.958,114 -4.35,115 -4.29,116 -4.04,121 43.4,123 5,124 1,127 3,144 7,145 3,146 1,148 1,154 1,160 1,168 1,176 13,180 8,183 1,185 3,187 15,192 9,197 1,200 10,206 9,209 1,211 1,214 6,219 8,222 1,227 11,231 1,232 2,237 1,239 12,243 2,244 2,249 1,251 12,255 1,256 2,261 1,264 7,269 4,274 2,277 4,281 1206,282 19.411,283 19.411,284 19.411,285 19.411,286 19.411,287 17.375,288 22.449,289 11.51,290 19.579,291 15.869,292 15.869,293 15.869,294 15.869,295 15.869,296 12.746,297 26.863,298 5.574,299 16.128,300 4.281,301 2.218,302 1.13,303 0.731,304 0.679,305 0.679,306 4.091,310 1,311 1,312 1,313 837,314 2.739,317 120.003,318 246.035,321 202.894,324 140.263,325 2.048,326 19.351,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 59.5,338 369,339 4.606,340 3.687,341 6.605,342 4.165,343 3.175,344 4.551,345 1.987,346 10.6,347 3.143,348 4.114,349 3.176,350 6.135,351 3.78,352 2.796,353 3.592,354 0.916,355 9.051,356 2.75,357 3.941,358 3.017,359 5.617,360 3.683,361 2.719,362 3.457,363 0.324,364 7.789,365 2.628,366 3.61,367 2.713,368 5.343,369 3.467,370 2.468,371 2.737,372 0.172,373 6.969,374 2.465,375 3.42,376 2.552,377 5.132,378 3.08,379 2.11,380 2.617,382 6.103,383 2.05,384 3.279,385 2.253,386 4.947,387 2.97,388 1.978,389 2.508,391 5.819,392 1.942,393 3.16,394 2.05,395 4.786,396 2.832,397 1.822,398 2.241,400 5.219,401 1.83,402 2.883,403 1.76,404 4.539,405 2.505,406 1.523,407 2.017,409 4.518,410 1.492,411 2.811,412 1.515,413 3.915,414 2.41,415 1.416,416 1.904,418 3.042,419 1.405,420 2.5,421 1.198,422 3.594,423 2.031,424 1.046,425 1.5,427 2.82,428 1.028,429 2.426,430 1.077,431 3.414,432 2,433 1,434 1.4,436 2.275,437 1,438 2,439 1,440 3.286,441 1.984,442 1,443 1,445 2.136,446 0.983,447 1.853,448 0.828,449 3.247,450 1.723,451 0.74,452 0.803,454 1.797,455 0.726,456 1.416,457 0.653,458 3.013,459 1.2,460 0.22,461 0.253,463 0.581,464 0.215,465 1.183,466 0.415,467 2.783,468 0.976,474 13.367,475 0.477,476 0.602,477 0.021,478 34.25,479 1.223,480 16,481 0.571,482 18.25,483 0.652,484 24.933,485 0.89,486 29.833,487 0.563,488 21.891,489 0.782,490 6.363,491 0.227,492 7.38,493 0.264,494 0.025,496 0.329,501 0.64,502 1.197,503 0.801,504 1.043,505 0.499,506 0.957,507 0.752,508 1.167,509 0.92,510 1.07,511 0.518,512 1.017,513 0.973,514 1.112,515 1.08,516 1.111,517 0.944,518 1.106,519 0.758,520 0.996,521 0.962,522 1.014,523 0.508,524 1.012,525 0.934,526 0.884,527 0.864,528 0.883,529 0.848,530 0.87,531 0.905,532 0.999,533 1.069,534 1.031,535 0.665,536 1.057,537 0.87,538 0.95,539 1.06,540 1.055,541 0.656,542 1.08,543 0.908,544 0.951,545 1.019,546 0.996,547 0.896,548 1.028,549 5.5,550 0.114,551 2.444,552 1.646,553 1.213,554 0.601,555 0.447,556 0.329,557 0.157,558 0.152,559 12274,560 27743,561 2.223,562 47.2,563 3,564 13,567 1,568 4,569 4,572 1.702,573 2.154,574 3.666,575 -0.394,577 1,582 76.687,583 1.447,584 3.51,585 4.597,586 4.997,587 5.049,588 5.049,589 3.128,590 4.379,591 4.779,592 3.837,593 1450.54,594 8.264,595 20024.5,597 1,599 1,600 303.58,601 1.108,602 4.769,603 0.172,604 0.006,605 0.054,606 0.04,607 0.036,608 0.018,609 0.015,610 0.013,611 0.007,612 0.007,613 0.368,614 0.33,615 0.88,616 0.343,617 143.754,618 0.124,619 -0.033,620 0.079,621 0.015,622 0.072,623 0.035,624 0.04,625 -0.061,626 -0.002,627 -0.055,628 0.081,629 -0.036,630 -0.089,631 -0.101,632 -0.123,633 -0.119,634 -0.045,635 -0.123,636 0.042,637 -0.05,638 0.018,639 -0.038,640 0.065,641 -0.017,642 0.019,643 0.045,644 0.136,645 0.09,646 0.003,647 0.121,648 0.039,649 -0.011,650 -0.09,651 -0.057,652 0.031,653 -0.08,654 0.032,655 0.002,656 -0.081,657 -0.072,658 0.024,659 -0.089,660 0.006,661 -0.036,662 -0.032,663 -0.007,664 -0.076,665 -0.027,666 1.612,667 4.598,668 0.857,669 30.087,670 0.994,671 1.122,672 3.122,673 9.745,674 0.666,675 3.497,676 3.829,677 4.111,678 4.407,679 4.625,680 4.7,681 4.898,682 5.063,683 5.043,684 5.118,685 7.593,686 0.628,687 375.51,688 3.497,689 5.043,690 5.9,691 6.781,692 7.653,693 8.539,694 9.419,695 10.309,696 11.195,697 12.087,698 5.7,701 1,705 1,708 1,714 2,715 7,716 1,718 1,720 4,722 16,741 53,743 17,744 2,745 32,747 57,748 23,749 13,750 5,751 7,756 5,757 8,767 3,768 1,770 5,772 14,773 9,774 1,777 1,782 1,786 1,790 1,793 25,794 5,795 1,796 5,801 1,802 3,808 0.6,809 2,828 2,829 3,832 2,835 1,843 1,855 1,859 3,868 28,876 8,877 1,880 1,881 1,893 3.8,896 1,898 1,901 13,902 9.4,903 6,904 3.474,907 3.074,908 1.378,909 1.023,910 4.815,911 11.212,912 3.738,913 4.327,914 4.893,915 5.503,916 6.016,917 6.318,918 6.763,919 7.152,920 7.151,921 7.299,922 0.889,923 41,924 10.399,926 4.527,927 0.026,929 7.536,931 20.599,933 17.912,936 2.036,937 57,939 1,940 1,941 282.506,942 109.322,943 40.732,945 34.879,948 109.322,949 317.385,950 40.732,952 37.001,953 66.334,954 49.446,955 27.316,956 4.836,957 282.506,959 282.506,960 150.054,961 34.879,964 235.422,965 81.963,968 42.882,969 87.575,970 19.597,972 282.506,973 75.611,974 109.322,977 282.506,978 42.988,979 69.458,980 18.011,981 54.476,982 282.506,983 75.611,984 109.322,986 0.583,987 0.335,988 0.185,989 0.101,990 24,991 9,992 0.088,993 5,994 2,995 1.167,996 4.245,997 244.075,998 0.167,999 24,1000 126.606,1005 17.752,1006 7.595,1007 3.821,1008 1.838,1009 75.611,1010 14.72,1011 4.312,1013 5.523,1015 4.349,1017 18.011,1018 467.439,1019 41,1024 11.598,1028 0.055,1031 52.68,1032 59.481,1034 0.253,1035 0.613,1036 0.803,1037 0.872,1038 0.881,1039 0.881,1040 4.984,1041 1.523,1042 5.872,1043 5.219,1044 4.511,1045 5.014,1046 2.249,1047 6.663,1048 4.48,1049 6.168,1050 1.416,1051 7.409,1052 4.518,1053 4.007,1054 4.783,1055 1.668,1056 7.466,1057 3.964,1058 7.464,1059 1.046,1060 9.041,1061 3.042,1062 6.084,1063 7.191,1064 3.142,1065 10.569,1066 6.022,1067 8.794,1068 1,1069 10.729,1070 2.82,1071 6.415,1072 7.844,1073 3.188,1074 12.233,1075 6.339,1076 10.159,1077 1,1078 12.455,1079 2.275,1080 7.932,1081 9.723,1082 4.321,1083 14.829,1084 7.841,1085 11.549,1086 0.74,1087 14.208,1088 2.136,1089 8.665,1090 10.814,1091 4.658,1092 16.872,1093 8.561,1094 12.961,1095 0.22,1096 15.981,1097 1.797,1098 9.946,1099 12.473,1100 5.603,1101 19.295,1102 9.829,1103 3.175,1105 17.771,1106 0.581,1107 10.88,1108 13.782,1109 6.092,1110 21.506,1111 10.753,1112 2.796,1113 10.6,1114 19.574,1116 12.061,1117 15.35,1118 6.928,1119 23.872,1120 11.923,1121 2.719,1122 9.051,1123 21.389,1124 4.551,1125 13.095,1126 16.765,1127 7.501,1128 26.158,1129 12.947,1130 2.468,1131 7.789,1132 23.212,1133 3.592,1134 14.239,1135 18.296,1136 8.273,1137 28.507,1138 14.081,1139 2.11,1140 6.969,1141 25.044,1142 3.457,1143 15.323,1144 19.762,1145 8.894,1146 30.827,1147 15.156,1148 1.978,1149 6.103,1150 26.883,1151 2.737,1152 16.455,1153 21.279,1154 9.631,1155 33.174,1156 16.28,1157 1.822,1158 5.819,1159 28.727,1160 2.617,1161 17.565,1162 22.77,1163 10.279,1164 35.511,1165 17.381,1166 11096,1167 16889,1168 22.364,1169 35.302,1170 48.161,1171 49.114,1172 48.394,1173 48.008,1174 48.027,1175 61.161,1176 6.799,1177 137.436,1178 47.314,1179 5.606,1180 5.687,1181 6.406,1182 5.2,1183 5.175,1184 7.551,1185 3.497,1186 17.446,1187 5.143,1188 7.226,1189 1.505,1190 1.535,1191 1.512,1192 1.5,1193 1.501,1194 1.911,1195 0.212,1196 4.295,1197 1.479,1198 4.132,1199 4.15,1200 4.102,1201 4.027,1202 7.429,1203 4.041,1204 3.95,1205 3.996,1206 3.864,1207 3.866,1208 5.255,1209 3.86,1210 3.823,1211 3.87,1212 3.713,1213 3.721,1214 4.756,1215 3.711,1216 3.675,1217 3.711,1218 3.619,1219 3.487,1220 4.489,1221 3.511,1222 3.389,1223 3.454,1224 3.249,1225 3.208,1226 4.32,1227 3.21,1228 3.134,1229 3.206,1230 2.998,1231 2.995,1232 3.967,1233 2.984,1234 3.111,1235 3.202,1236 2.879,1237 2.941,1238 3.799,1239 2.91,1240 2.945,1241 3.002,1242 2.866,1243 2.802,1244 3.674,1245 2.792,1246 0.144,1247 0.115,1248 0.206,1249 0.13,1250 0.099,1251 4.606,1252 0.142,1253 3.687,1254 0.062,1255 6.605,1256 0.331,1257 4.165,1258 0.098,1259 3.175,1260 4.551,1261 1.987,1262 10.6,1263 3.143,1264 1.949,1265 1.925,1266 2.106,1267 2.07,1268 1.487,1269 2.085,1270 1.921,1271 1.892,1272 2.025,1273 1.997,1274 1.232,1275 2.004,1276 1.829,1277 1.782,1278 1.979,1279 1.944,1280 1.152,1281 1.961,1282 1.502,1283 1.443,1284 1.728,1285 1.718,1286 1.003,1287 1.715,1288 1.418,1289 1.383,1290 1.59,1291 1.667,1292 0.825,1293 1.643,1294 1.215,1295 1.152,1296 1.513,1297 1.443,1298 0.758,1299 1.44,1300 1.153,1301 1.064,1302 1.462,1303 1.376,1304 0.681,1305 1.429,1306 0.981,1307 0.928,1308 1.237,1309 1.288,1310 0.448,1311 1.244,1312 4.174,1314 5.501,1315 3.045,1316 7.011,1317 5.416,1318 8.604,1319 7.506,1320 10.243,1328 8.425,1329 2.873,1332 0.747,1333 2.56,1340 33.289,1341 76.687,1342 186.035,1343 243.664,1344 264.825,1345 267.58,1346 267.58,1347 39.232,1348 8.138,1349 58.37,1350 58.37,1351 28,1352 12.616,1353 4.17,1354 3.322,1355 38.06,1356 130,1357 122,1358 0.142,1359 199.384,1360 341.42,1361 478.256,1362 44943,1364 18.924,1365 0.676,1366 0.571,1367 18.924,1368 15.987,1369 13.742,1370 0.429,1371 0.319,1372 10.116,1373 13.316,1374 9.918,1375 8.152,1376 13.742,1377 10.217,1378 12.533,1379 0.279,1380 0.18,1381 12.533,1382 8.104,1383 10.68,1384 0.178,1385 0.102,1386 10.68,1387 6.141,1388 9.208,1389 0.114,1390 0.056,1391 9.208,1392 4.505,1393 7.505,1394 0.074,1395 0.033,1396 7.505,1397 3.287,1398 0.231,1399 85.414,1400 0.211,1401 27.392,1402 0.367,1403 154,1404 387.094,1405 165.613,1406 376.157,1407 523.62,1408 354,1409 182,1410 398.026,1411 194.475,1412 400.49,1413 583.86,1414 378,1415 9.481}
{0 CHEMBL359719,1 1.404,2 12.086,3 2.153,4 4.635,5 127.411,6 7.233,7 0.154,8 4.313,9 4.403,10 3.844,11 3.812,12 5.397,13 3.803,14 4.925,15 5.064,16 4.37,17 4.285,18 6.008,19 4.281,20 5.336,21 5.459,22 4.664,23 4.621,24 6.489,25 4.613,26 5.658,27 5.83,28 4.662,29 4.798,30 6.786,31 4.727,32 5.776,33 6.021,34 4.523,35 4.782,36 6.827,37 4.647,38 5.626,39 5.899,40 4.375,41 4.526,42 6.648,43 4.416,44 5.233,45 5.427,46 4.15,47 4.221,48 6.453,49 4.169,50 4.959,51 5.152,52 3.988,53 4.039,54 6.172,55 3.977,56 0.114,57 0.868,58 14.696,59 7.21,60 22.583,61 8.617,62 0.48,63 1.496,64 29.513,65 12.456,66 66.777,67 15.5,68 0.931,69 2.17,70 45.596,71 17.815,72 113.914,73 21.416,74 1.575,75 2.847,76 66.513,77 23.757,78 214.89,79 30.118,80 1.761,81 3.101,82 78.547,83 26.679,84 243.732,85 37.088,86 1.617,87 2.523,88 70.579,89 21.635,90 206.683,91 30.655,92 1.429,93 1.702,94 46.322,95 14.03,96 175.15,97 17.822,98 0.994,99 1.364,100 33.988,101 11.424,102 102.742,103 14.916,104 83,105 65,106 0.223,107 0.559,108 0.742,109 0.813,110 0.847,111 0.847,112 3.59,113 0.92,114 -4.18,115 -4.13,116 -3.9,121 40.3,122 4,123 5,125 1,126 1,132 4,137 1,138 1,140 2,144 4,145 1,146 1,160 2,176 9,179 2,180 14,185 4,187 12,192 13,195 2,197 10,200 20,205 2,206 13,210 1,211 4,214 24,219 10,222 5,224 5,227 11,231 2,232 19,235 1,239 12,243 1,244 6,247 2,249 2,251 9,255 4,256 6,261 2,264 12,268 2,269 2,274 3,277 9,281 1886,282 22.345,283 22.345,284 22.345,285 22.345,286 22.345,287 20.921,288 27.759,289 11.966,290 22.876,291 19.034,292 19.034,293 19.034,294 19.034,295 19.034,296 16.685,297 36.32,298 5.497,299 19.863,300 4.662,301 2.555,302 1.404,303 0.956,304 0.743,305 0.743,306 4.281,312 1,313 920,314 4.416,318 264.265,319 82.183,322 189.351,323 119.961,325 1.979,326 65.855,329 1,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.98,337 78,338 423,339 5.246,340 4.41,341 9.295,342 5.213,343 4.242,344 4.269,345 2.443,346 19.882,347 4.115,348 4.675,349 3.967,350 8.412,351 4.59,352 3.641,353 3.969,354 1.674,355 15.795,356 3.448,357 4.391,358 3.729,359 7.245,360 4.022,361 3.057,362 3.713,363 0.86,364 11.285,365 2.943,366 4.093,367 3.586,368 6.507,369 3.821,370 2.862,371 3.514,372 0.86,373 10.141,374 2.74,375 3.869,376 3.109,377 6.112,378 3.677,379 2.69,380 3.036,381 0.286,382 8.779,383 2.65,384 3.697,385 2.959,386 6.064,387 3.331,388 2.368,389 2.898,391 7.853,392 2.269,393 3.602,394 2.741,395 5.332,396 3.287,397 2.337,398 2.735,400 6.764,401 2.204,402 3.275,403 2.606,404 5.294,405 3.049,406 2.091,407 2.353,409 6.229,410 1.984,411 3.108,412 2.491,413 5.02,414 2.843,415 1.877,416 2.122,418 5.553,419 1.788,420 2.914,421 1.88,422 4.749,423 2.463,424 1.51,425 1.973,427 4.633,428 1.426,429 2.5,430 1.749,431 4.432,432 2.314,433 1.356,434 1.5,436 4.109,437 1.284,438 2.485,439 1.325,440 4,441 2,442 1,443 1.463,445 2.275,446 1,447 1.803,448 1.053,449 3.83,450 1.649,451 0.675,452 0.717,454 1.774,455 0.647,456 1.657,457 1,458 3.811,459 1.426,460 0.513,461 0.562,463 1.168,464 0.454,465 1.513,466 0.983,467 3.584,468 1.412,469 0.459,470 0.467,472 1.032,473 0.437,474 16.167,475 0.462,476 1.554,477 0.044,478 35,479 1,480 12.5,481 0.357,482 22.5,483 0.643,484 49.625,485 1.418,486 40.233,487 0.6,488 31.557,489 0.902,490 6.225,491 0.178,492 10.066,493 0.288,494 0.237,495 0.155,496 0.216,501 0.818,502 1.213,503 0.804,504 1.183,505 0.777,506 1.021,507 0.771,508 1.026,509 0.642,510 0.989,511 0.594,512 0.817,513 1.239,514 1.146,515 1.034,516 1.121,517 1.024,518 1.043,519 1.222,520 1.143,521 1.235,522 1.15,523 1.282,524 1.189,525 0.778,526 1.032,527 0.986,528 1.046,529 0.852,530 1.064,531 0.901,532 0.772,533 0.781,534 0.763,535 1.016,536 0.746,537 1.531,538 0.873,539 1.218,540 0.871,541 1.595,542 0.952,543 1.039,544 0.993,545 1.025,546 0.995,547 1.225,548 1.005,549 12,550 0.268,551 9.111,552 5.625,553 5.007,554 2.552,555 1.323,556 0.89,557 0.574,558 0.366,559 15440,560 41863,561 2.004,562 47.8,563 5,564 8,567 2,568 2,569 15,572 1.77,573 1.787,574 3.441,575 0.162,582 94.046,583 1.404,584 3.511,585 4.663,586 5.11,587 5.323,588 5.323,589 3.095,590 4.672,591 5.093,592 3.625,593 2156.74,594 8.964,595 30415.7,600 406.428,601 1.898,602 4.987,603 0.308,604 0.011,605 0.14,606 0.067,607 0.064,608 0.04,609 0.023,610 0.02,611 0.015,612 0.012,613 0.7,614 0.5,615 0.75,616 0.797,617 183.509,618 -0.059,619 -0.01,620 0.045,621 0.002,622 -0.109,623 0.042,624 0.102,625 0.086,626 0.27,627 0.113,628 0.1,629 0.213,630 -0.108,631 -0.05,632 -0.079,633 -0.05,634 -0.053,635 -0.056,636 -0.129,637 -0.118,638 -0.256,639 -0.138,640 -0.13,641 -0.214,642 0.071,643 -0.08,644 -0.008,645 -0.081,646 0.071,647 -0.067,648 0.051,649 0.124,650 0.244,651 0.148,652 0.029,653 0.228,654 -0.161,655 0.077,656 -0.158,657 0.061,658 -0.14,659 -0.03,660 0.08,661 -0.007,662 -0.021,663 -0.016,664 -0.008,665 -0.039,666 2.915,667 6.382,668 0.714,669 35.577,670 1.011,671 1.124,672 2.954,673 8.727,674 0.639,675 3.689,676 4.19,677 4.575,678 4.868,679 5.193,680 5.438,681 5.609,682 5.802,683 6.023,684 6.168,685 6.636,686 0.614,687 484.59,688 3.689,689 5.342,690 6.275,691 7.246,692 8.208,693 9.187,694 10.161,695 11.148,696 12.129,697 13.12,715 4,720 2,722 6,739 1,741 67,743 10,744 1,745 39,747 71,748 27,749 6,750 2,751 4,752 5,756 5,757 11,763 4,764 1,766 1,767 5,768 4,770 5,772 12,773 15,774 4,777 4,782 2,784 1,786 5,793 32,794 8,795 2,796 8,808 0.4,809 8,812 2,829 4,830 1,833 2,834 1,846 2,849 3,850 1,857 2,858 1,859 2,864 5,868 35,875 2,876 5,878 4,882 5,893 11.9,894 2,896 2,897 1,898 3,901 19.583,902 13.567,903 7.167,904 4.051,907 1.773,908 1.199,909 0.87,910 5.363,911 10.662,912 3.85,913 4.46,914 4.965,915 5.42,916 5.916,917 6.241,918 6.555,919 6.887,920 7.284,921 7.581,922 1,923 84,924 13.365,926 6.434,927 0.026,929 7.94,931 24.758,933 22.056,936 2.44,937 85.417,941 353.133,942 142.722,945 179.656,948 142.722,949 532.789,951 46.184,952 12.673,953 132.748,954 86.159,955 44.614,957 353.133,959 353.133,960 142.722,961 179.656,964 176.567,965 259.856,966 96.367,968 47.973,969 74.785,970 19.963,972 353.133,973 179.656,974 142.722,977 353.133,978 49.157,979 93.565,981 179.656,982 353.133,983 179.656,984 142.722,986 0.629,987 0.394,988 0.198,989 0.109,990 37,991 17,992 0.028,993 2,994 3,995 1.24,996 4.032,997 386.158,998 0.24,999 25,1000 173.525,1005 24.51,1006 7.658,1007 3.214,1009 179.656,1010 7.124,1015 1.367,1017 85.367,1018 675.511,1019 46,1024 25.587,1026 1.677,1028 -0.124,1031 67.756,1032 75.318,1034 0.231,1035 0.579,1036 0.769,1037 0.842,1038 0.878,1039 0.878,1040 5.244,1041 2.091,1042 6.422,1043 6.764,1044 4.875,1045 5.147,1046 2.976,1047 7.517,1048 4.794,1049 6.539,1050 1.877,1051 8.193,1052 6.229,1053 5.094,1054 5.338,1055 2.243,1056 9.36,1057 4.973,1058 7.959,1059 1.51,1060 10.105,1061 5.553,1062 6.866,1063 7.329,1064 4.166,1065 12.607,1066 6.712,1067 9.415,1068 1.356,1069 12.106,1070 4.633,1071 7.848,1072 8.208,1073 4.269,1074 15.241,1075 7.657,1076 10.907,1077 1,1078 14.166,1079 4.109,1080 9.297,1081 9.825,1082 5.66,1083 18.252,1084 9.075,1085 12.426,1086 0.675,1087 16.267,1088 2.275,1089 10.556,1090 10.98,1091 6.158,1092 21.118,1093 10.3,1094 13.966,1095 0.513,1096 18.397,1097 1.774,1098 11.951,1099 12.474,1100 7.297,1101 24.092,1102 11.666,1103 4.242,1104 0.459,1105 20.548,1106 1.168,1107 13.309,1108 13.756,1109 7.992,1110 27.03,1111 12.994,1112 3.641,1113 19.882,1114 22.714,1115 1.032,1116 14.709,1117 15.203,1118 9.007,1119 30.001,1120 14.365,1121 3.057,1122 15.795,1123 24.891,1124 4.269,1125 16.107,1126 16.55,1127 9.802,1128 32.965,1129 15.734,1130 2.862,1131 11.285,1132 27.077,1133 3.969,1134 17.519,1135 17.979,1136 10.755,1137 35.942,1138 17.118,1139 2.69,1140 10.141,1141 29.27,1142 3.713,1143 18.935,1144 19.36,1145 11.599,1146 38.917,1147 18.506,1148 2.368,1149 8.779,1150 31.468,1151 3.514,1152 20.357,1153 20.785,1154 12.522,1155 41.897,1156 19.9,1157 2.337,1158 7.853,1159 33.67,1160 3.036,1161 21.782,1162 22.186,1163 13.391,1164 44.879,1165 21.298,1166 14767,1167 24425,1168 24.326,1169 42.818,1170 62.817,1171 65.256,1172 67.548,1173 62.048,1174 62.007,1175 71.284,1176 12.246,1177 215.878,1178 59.386,1179 6.246,1180 6.41,1181 8.846,1182 6.317,1183 6.242,1184 7.269,1185 4.174,1186 30.947,1187 6.115,1188 22.637,1189 1.611,1190 1.673,1191 1.732,1192 1.591,1193 1.59,1194 1.828,1195 0.314,1196 5.535,1197 1.523,1198 4.098,1199 4.113,1200 4.043,1201 3.992,1202 7.434,1203 4.001,1204 3.935,1205 3.951,1206 3.882,1207 3.858,1208 7.43,1209 3.859,1210 3.785,1211 3.796,1212 3.729,1213 3.651,1214 6.458,1215 3.666,1216 3.582,1217 3.606,1218 3.504,1219 3.419,1220 6.432,1221 3.428,1222 3.507,1223 3.567,1224 3.359,1225 3.369,1226 4.911,1227 3.356,1228 3.315,1229 3.362,1230 3.191,1231 3.125,1232 4.748,1233 3.127,1234 3.286,1235 3.338,1236 3.152,1237 3.087,1238 4.519,1239 3.095,1240 3.18,1241 3.249,1242 2.998,1243 2.946,1244 4.458,1245 2.943,1246 0.135,1247 0.113,1248 0.238,1249 0.134,1250 0.109,1251 5.246,1252 0.109,1253 4.41,1254 0.063,1255 9.295,1256 0.51,1257 5.213,1258 0.106,1259 4.242,1260 4.269,1261 2.443,1262 19.882,1263 4.115,1264 2.008,1265 1.991,1266 2.129,1267 2.132,1268 1.554,1269 2.128,1270 1.91,1271 1.892,1272 2.011,1273 2.006,1274 1.151,1275 2.007,1276 1.705,1277 1.688,1278 1.874,1279 1.876,1280 1.129,1281 1.869,1282 1.627,1283 1.594,1284 1.829,1285 1.82,1286 1.08,1287 1.817,1288 1.498,1289 1.448,1290 1.729,1291 1.68,1292 0.957,1293 1.699,1294 1.277,1295 1.229,1296 1.577,1297 1.522,1298 0.726,1299 1.539,1300 1.218,1301 1.149,1302 1.568,1303 1.481,1304 0.694,1305 1.509,1306 1.164,1307 1.086,1308 1.525,1309 1.424,1310 0.59,1311 1.457,1312 4.369,1314 5.826,1316 7.499,1317 2.708,1318 9.281,1319 5.533,1320 11.127,1322 8.507,1327 24.425,1328 0.705,1330 22.916,1334 -6.765,1340 41.147,1341 94.046,1342 235.212,1343 312.389,1344 342.389,1345 356.654,1346 356.654,1347 111.018,1348 8.889,1349 115.43,1350 115.43,1351 31,1352 13.586,1353 3.459,1354 3,1355 52.169,1356 140,1357 191,1358 0.192,1359 244.275,1360 454.8,1361 587.791,1362 91612,1364 25.441,1365 0.727,1366 0.593,1367 25.441,1368 20.766,1369 16.29,1370 0.418,1371 0.307,1372 11.779,1373 15.533,1374 11.315,1375 9.265,1376 16.29,1377 11.963,1378 17.019,1379 0.262,1380 0.169,1381 17.019,1382 11.016,1383 15.543,1384 0.162,1385 0.094,1386 15.543,1387 9.01,1388 12.404,1389 0.096,1390 0.051,1391 12.404,1392 6.641,1393 10.267,1394 0.057,1395 0.027,1396 10.267,1397 4.765,1398 0.293,1399 103.352,1400 0.203,1401 31.213,1402 0.555,1403 208,1404 614.713,1405 235.015,1406 568.09,1407 771.07,1408 528,1409 265,1410 575.697,1411 292.795,1412 571.699,1413 857.69,1414 536,1415 5.62}
{0 CHEMBL360055,1 1.261,2 11.361,3 1.272,4 1.617,5 150.633,6 5.322,7 0.167,8 4.579,9 4.738,10 3.829,11 3.953,12 5.395,13 3.875,14 5.216,15 5.472,16 4.137,17 4.336,18 5.888,19 4.234,20 5.524,21 5.792,22 4.342,23 4.645,24 6.194,25 4.509,26 5.736,27 5.997,28 4.316,29 4.832,30 6.423,31 4.626,32 5.953,33 6.291,34 4.151,35 4.745,36 6.559,37 4.497,38 5.639,39 5.962,40 4.123,41 4.497,42 6.257,43 4.324,44 5.243,45 5.439,46 4.35,47 4.538,48 6.047,49 4.441,50 5.577,51 5.793,52 4.459,53 4.722,54 6.415,55 4.609,56 0.145,57 1.233,58 25.382,59 8.716,60 14.987,61 13.417,62 0.47,63 1.881,64 43.82,65 12.785,66 27.804,67 20.706,68 0.982,69 2.46,70 58.05,71 19.081,72 43.297,73 29.075,74 0.568,75 2.904,76 68.698,77 25.66,78 52.52,79 37.81,80 0.895,81 2.754,82 77.134,83 24.412,84 79.874,85 37.641,86 1.065,87 2.126,88 58.948,89 17.729,90 55.54,91 27.292,92 0.445,93 2.147,94 47.196,95 17.034,96 30.195,97 25.132,98 0.707,99 2.604,100 63.94,101 20.778,102 67.482,103 31.201,104 199,105 48,106 0.19,107 0.314,108 0.461,109 0.5,110 0.505,111 0.518,112 3.615,113 1.277,114 -2.4,115 -2.43,116 -2.38,121 31.3,122 9,127 15,144 3,146 3,176 2,180 2,187 1,189 9,191 2,192 4,194 3,205 1,206 3,214 9,219 9,229 2,234 4,241 4,246 2,251 6,253 3,256 12,264 12,269 6,277 9,280 2,281 3140,282 24.544,283 24.544,284 24.544,285 24.544,286 24.544,287 23.792,288 38.009,289 13.463,290 25.719,291 16.751,292 16.751,293 16.751,294 16.751,295 16.751,296 15.574,297 44.641,298 5.265,299 18.271,300 5.324,301 4.506,302 3.529,303 3.269,304 3.24,305 3.154,306 4.267,312 1,313 788,314 6.124,318 152.345,325 1.877,326 22.638,329 0.75,330 0.5,331 0.33,332 0.6,333 1,334 0.67,335 0.5,336 0.62,337 76.5,338 409,339 4.376,340 3.683,341 7.172,342 4.221,343 3.312,344 4.021,345 1.2,346 12.409,347 3.009,348 4.311,349 3.681,350 7.172,351 4.22,352 3.311,353 3.311,354 1.2,355 12.409,356 3.007,357 4.311,358 3.68,359 7.172,360 4.219,361 3.311,362 3.311,363 1.2,364 12.409,365 3.007,366 4.302,367 3.361,368 6.503,369 3.952,370 3.016,371 3.309,372 0.86,373 10.189,374 2.815,375 3.383,376 2.635,377 5.203,378 3.022,379 2.118,380 2.625,381 0.86,382 6.248,383 1.904,384 2.942,385 2.241,386 4.229,387 2.552,388 1.642,389 2.108,390 0.86,391 3.94,392 1.495,393 2.486,394 1.716,395 3.787,396 2.298,397 1.376,398 1.485,400 2.936,401 1.252,402 2.237,403 1.443,404 3.752,405 2.086,406 1.146,407 1.222,409 2.536,410 1.068,411 2.227,412 1.337,413 3.72,414 2.084,415 1.138,416 1.216,418 2.498,419 1.067,420 1.618,421 0.816,422 3.414,423 1.591,424 0.618,425 0.618,427 1.088,428 0.6,429 1.618,430 0.744,431 3.414,432 1.591,433 0.618,434 0.618,436 0.828,437 0.6,438 1.618,439 0.744,440 3.414,441 1.591,442 0.618,443 0.618,445 0.828,446 0.6,447 1.618,448 0.744,449 3.414,450 1.591,451 0.618,452 0.618,454 0.828,455 0.6,456 1.618,457 0.744,458 3.414,459 1.591,460 0.618,461 0.618,463 0.828,464 0.6,465 1.618,466 0.744,467 3.414,468 1.591,469 0.618,470 0.618,472 0.828,473 0.6,474 17.2,475 0.478,476 0.685,477 0.019,478 30,479 0.833,480 7.5,481 0.208,482 22.5,483 0.625,484 53.379,485 1.483,486 46.7,487 0.486,488 23.426,489 0.651,490 5.531,491 0.154,492 11.783,493 0.327,494 0.262,495 0.07,496 0.087,501 1.022,502 2.029,503 1.211,504 1.696,505 1.142,506 1.498,507 1.636,508 1.182,509 1.134,510 1.008,511 1.051,512 0.995,513 1.273,514 0.827,515 1.099,516 0.881,517 0.828,518 0.943,519 0.806,520 1.463,521 1.205,522 1.525,523 1.007,524 1.428,525 1.38,526 0.846,527 0.876,528 0.842,529 1.435,530 0.823,531 1.946,532 0.5,533 0.842,534 0.461,535 1.855,536 0.546,537 1.187,538 1.436,539 1.135,540 1.381,541 1.263,542 1.271,543 2.148,544 1.298,545 1.357,546 1.285,547 1.915,548 1.252,549 9.5,550 0.347,551 4.889,552 2.813,553 0.933,554 0.882,555 1.038,556 0.807,557 0.665,558 0.361,559 15982,560 22365,561 1.843,562 62.5,564 33,569 27,572 1.782,573 1.694,574 3.408,575 -0.827,582 121.026,583 1.261,584 2.079,585 3.056,586 3.316,587 3.345,588 3.431,589 2.797,590 3.711,591 5.14,592 3.731,593 2350.25,594 9.084,595 40097.1,600 632.156,601 1.551,602 5.055,603 0.264,604 0.009,605 0.102,606 0.048,607 0.019,608 0.022,609 0.022,610 0.013,611 0.01,612 0.007,613 0.516,614 0.5,615 0.63,616 2.339,617 197.303,618 0.092,619 -0.501,620 0.066,621 -0.27,622 -0.056,623 -0.13,624 -0.099,625 0.037,626 0.058,627 0.051,628 0.043,629 0.074,630 0.137,631 0.335,632 0.04,633 0.179,634 0.24,635 0.118,636 0.086,637 -0.327,638 -0.163,639 -0.344,640 0.048,641 -0.286,642 -0.024,643 -0.029,644 0.08,645 0.03,646 -0.029,647 0.06,648 -0.03,649 0.325,650 0.202,651 0.383,652 -0.143,653 0.317,654 0.122,655 -0.078,656 0.082,657 -0.061,658 0.032,659 -0.001,660 -0.168,661 -0.089,662 -0.117,663 -0.111,664 -0.024,665 -0.107,666 0.899,667 2.977,668 0.167,669 44.444,670 0.979,671 1.145,672 -7.165,673 51.34,674 0.584,675 3.611,676 3.892,677 4.143,678 4.094,679 4.043,680 4.159,681 4.394,682 4.533,683 4.533,684 4.511,685 7.899,686 0.523,687 510.93,688 3.611,689 5.13,690 5.964,691 6.817,692 7.658,693 8.513,694 9.357,695 10.214,696 11.06,697 11.917,698 3.1,712 3,715 3,720 3,722 6,739 3,741 96,743 6,744 1,745 36,747 96,748 30,749 6,750 3,751 3,756 1,757 1,763 9,772 6,773 24,793 60,794 3,796 6,802 3,803 3,807 3,808 1,809 3,829 1,859 1,864 9,868 36,876 15,878 3,883 3,893 3.1,898 3,901 21.25,902 19.5,903 9.056,904 7.639,907 1.277,908 1.182,909 0.854,910 15.362,911 8.308,912 3.689,913 4.086,914 4.486,915 4.722,916 5.019,917 5.139,918 5.421,919 5.656,920 5.813,921 5.992,922 1,923 59,924 13.438,926 5.122,927 0.026,929 7.347,931 27.11,933 21.043,936 1.847,937 66.5,941 706.266,942 162.631,945 33,948 162.631,949 739.266,951 79.427,952 39.046,953 28.429,955 48.73,957 706.266,959 706.266,960 162.631,961 33,964 388.446,965 350.819,968 118.472,969 44.159,972 706.266,973 33,974 162.631,977 706.266,978 54.776,979 107.856,981 33,982 706.266,983 33,984 162.631,986 0.56,987 0.38,988 0.163,989 0.051,990 15,991 9,992 0.219,993 21,995 1,996 4.297,997 307.642,999 6,1000 133.588,1005 33.016,1006 16.751,1007 9.358,1009 33,1010 6.102,1015 2.376,1018 901.897,1019 39,1031 93.97,1032 109.956,1034 0.191,1035 0.316,1036 0.464,1037 0.504,1038 0.508,1039 0.521,1040 4.945,1041 1.146,1042 6.009,1043 2.936,1044 4.575,1045 4.771,1046 2.416,1047 6.909,1048 4.407,1049 6.123,1050 1.138,1051 7.662,1052 2.536,1053 4.511,1054 4.732,1055 1.724,1056 8.581,1057 4.218,1058 7.467,1059 0.618,1060 9.437,1061 2.498,1062 6.392,1063 6.813,1064 2.373,1065 11.447,1066 6.038,1067 8.854,1068 0.618,1069 11.286,1070 1.088,1071 7.171,1072 7.571,1073 2.125,1074 13.764,1075 6.702,1076 10.273,1077 0.618,1078 13.181,1079 0.828,1080 8.557,1081 9.19,1082 2.519,1083 16.336,1084 8.014,1085 11.709,1086 0.618,1087 15.102,1088 0.828,1089 9.611,1090 10.242,1091 2.463,1092 18.799,1093 8.961,1094 13.154,1095 0.618,1096 17.038,1097 0.828,1098 10.858,1099 11.717,1100 2.754,1101 21.319,1102 10.125,1103 3.312,1104 0.618,1105 18.983,1106 0.828,1107 12.001,1108 12.903,1109 2.802,1110 23.817,1111 11.166,1112 3.311,1113 12.409,1114 20.934,1115 0.828,1116 13.207,1117 14.324,1118 3.04,1119 26.33,1120 12.283,1121 3.311,1122 12.409,1123 22.889,1124 4.021,1125 14.38,1126 15.585,1127 3.148,1128 28.838,1129 13.357,1130 3.016,1131 12.409,1132 24.846,1133 3.311,1134 15.574,1135 16.983,1136 3.358,1137 31.351,1138 14.459,1139 2.118,1140 10.189,1141 26.805,1142 3.311,1143 16.758,1144 18.289,1145 3.499,1146 33.863,1147 15.545,1148 1.642,1149 6.248,1150 28.766,1151 3.309,1152 17.949,1153 19.678,1154 3.695,1155 36.377,1156 16.642,1157 1.376,1158 3.94,1159 30.728,1160 2.625,1161 19.137,1162 21.014,1163 3.855,1164 38.892,1165 17.733,1166 17028,1167 20408,1168 22.011,1169 56.08,1170 49.374,1171 49.744,1172 60.728,1173 49.775,1174 49.562,1175 54.098,1176 12.36,1177 144.031,1178 45.73,1179 5.316,1180 5.683,1181 6.745,1182 5.318,1183 5.312,1184 7.021,1185 2.06,1186 19.188,1187 5.009,1188 25.212,1189 1.371,1190 1.382,1191 1.687,1192 1.383,1193 1.377,1194 1.503,1195 0.343,1196 4.001,1197 1.27,1198 4.002,1199 4.058,1200 3.922,1201 3.847,1202 4.96,1203 3.86,1204 3.888,1205 3.967,1206 3.766,1207 3.695,1208 4.536,1209 3.701,1210 3.887,1211 3.966,1212 3.764,1213 3.674,1214 4.451,1215 3.686,1216 3.852,1217 3.885,1218 3.759,1219 3.673,1220 4.401,1221 3.684,1222 3.372,1223 3.429,1224 3.214,1225 3.151,1226 4.298,1227 3.151,1228 3.338,1229 3.407,1230 3.157,1231 3.13,1232 4.262,1233 3.122,1234 3.306,1235 3.407,1236 3.101,1237 3.123,1238 4.136,1239 3.091,1240 3.306,1241 3.407,1242 3.04,1243 3.123,1244 3.892,1245 3.089,1246 0.122,1247 0.102,1248 0.199,1249 0.117,1250 0.092,1251 4.376,1252 0.112,1253 3.683,1254 0.033,1255 7.172,1256 0.345,1257 4.221,1258 0.084,1259 3.312,1260 4.021,1261 1.2,1262 12.409,1263 3.009,1264 1.888,1265 1.865,1266 2.07,1267 2.095,1268 1.415,1269 2.092,1270 1.842,1271 1.765,1272 2.064,1273 2.079,1274 1.413,1275 2.08,1276 1.841,1277 1.764,1278 2.063,1279 2.078,1280 1.413,1281 2.079,1282 1.81,1283 1.745,1284 1.944,1285 1.963,1286 1.058,1287 1.955,1288 1.351,1289 1.278,1290 1.725,1291 1.597,1292 0.896,1293 1.638,1294 1.351,1295 1.256,1296 1.725,1297 1.584,1298 0.892,1299 1.638,1300 1.351,1301 1.256,1302 1.725,1303 1.584,1304 0.869,1305 1.638,1306 1.351,1307 1.256,1308 1.725,1309 1.584,1310 0.869,1311 1.638,1312 4.29,1314 5.58,1316 7.101,1318 8.704,1320 10.337,1322 20.477,1328 15.102,1330 19.24,1335 3.202,1340 50.222,1341 121.026,1342 199.603,1343 293.392,1344 318.373,1345 321.128,1346 329.392,1347 151.309,1348 7.032,1349 27.69,1350 27.69,1351 6,1352 12.472,1353 2.807,1354 2,1355 131.221,1356 158,1357 152,1358 0.372,1359 319.128,1360 559.71,1361 770.432,1362 9732,1364 27.081,1365 0.752,1366 0.71,1367 27.081,1368 25.563,1369 17.315,1370 0.481,1371 0.426,1372 15.086,1373 16.452,1374 14.504,1375 12.332,1376 17.315,1377 15.329,1378 13.474,1379 0.281,1380 0.23,1381 13.474,1382 11.061,1383 12.919,1384 0.208,1385 0.167,1386 12.919,1387 10.351,1388 8.676,1389 0.147,1390 0.099,1391 8.676,1392 5.831,1393 4.682,1394 0.084,1395 0.033,1396 4.682,1397 1.87,1398 0.583,1399 108.733,1400 0.213,1401 32.955,1402 1.026,1403 168,1404 342.205,1405 186.955,1406 314.771,1407 438.49,1408 300,1409 194,1410 331.124,1411 216.174,1412 324.837,1413 478.42,1414 308,1415 4.432}
{0 CHEMBL360186,1 2.134,2 12.8,3 5.839,4 34.089,5 116.915,6 11.115,7 0.579,8 4.045,9 4.119,10 4.057,11 3.62,12 5.345,13 3.637,14 4.604,15 4.709,16 4.528,17 3.981,18 6.648,19 4.017,20 4.702,21 4.828,22 4.439,23 4.063,24 6.277,25 4.069,26 4.879,27 5.048,28 4.5,29 4.059,30 6.41,31 4.08,32 4.728,33 4.836,34 4.709,35 4.006,36 6.237,37 4.066,38 4.952,39 5.079,40 4.733,41 3.891,42 7.445,43 3.992,44 4.447,45 4.583,46 4.206,47 3.763,48 6.121,49 3.802,50 4.528,51 4.709,52 4.092,53 3.751,54 6.008,55 3.773,56 0.453,57 1.259,58 4.053,59 4.712,60 91.915,61 3.357,62 1.671,63 2.559,64 9.226,65 7.764,66 301.676,67 5.9,68 1.1,69 2.059,70 13.96,71 9.608,72 148.95,73 7.579,74 1.944,75 2.235,76 20.894,77 11.039,78 331.886,79 7.628,80 1.047,81 2.474,82 28.294,83 11.159,84 239.879,85 6.578,86 3.761,87 3.056,88 29.901,89 11.118,90 738.799,91 6.112,92 0.872,93 1.64,94 8.76,95 6.205,96 102.887,97 4.868,98 1.258,99 1.772,100 15.548,101 7.927,102 196.256,103 7.024,104 86,105 59,106 0.356,107 0.657,108 0.726,109 0.788,110 0.798,111 0.798,112 3.589,113 0.927,114 -5.36,115 -5.24,116 -4.9,121 41.7,122 1,134 2,144 8,145 3,146 2,148 1,151 1,153 1,164 1,168 1,176 8,179 4,180 5,183 1,185 2,187 9,191 2,192 7,195 1,197 2,200 4,205 4,206 14,211 2,219 11,227 2,231 4,232 4,235 2,237 1,239 6,244 5,251 5,256 8,259 2,264 4,269 6,274 2,277 2,281 2255,282 22.043,283 22.043,284 22.043,285 22.043,286 22.043,287 19.307,288 23.733,289 12.369,290 23.03,291 18.769,292 18.769,293 18.769,294 18.769,295 18.769,296 14.464,297 31.517,298 5.935,299 20.541,300 3.451,301 1.642,302 1.23,303 0.855,304 0.797,305 0.797,306 4.268,312 1,313 948,314 4.848,317 208.019,318 259.94,325 2.217,326 93.151,329 0.75,330 0.83,331 0.83,332 0.3,334 0.83,335 1,336 0.65,337 83.5,338 448,339 4.995,340 4.726,341 7.68,342 4.487,343 3.561,344 4.892,345 3.825,346 13.694,347 3.287,348 4.53,349 4.472,350 7.173,351 4.23,352 3.351,353 4.107,354 3.825,355 11.913,356 2.988,357 4.382,358 4.439,359 7.052,360 4.059,361 3.23,362 3.924,363 0.4,364 11.446,365 2.835,366 4.292,367 3.126,368 6.493,369 3.96,370 3.014,371 3.556,373 10.115,374 2.676,375 4.007,376 2.821,377 5.67,378 3.582,379 2.649,380 3.425,382 7.812,383 2.487,384 3.784,385 2.448,386 5.527,387 3.28,388 2.342,389 3.346,391 6.907,392 2.161,393 3.435,394 2.332,395 5.194,396 3.001,397 2.08,398 2.678,400 6.315,401 1.869,402 3.153,403 1.971,404 4.842,405 2.702,406 1.78,407 2.36,409 5.299,410 1.627,411 2.887,412 1.819,413 4.71,414 2.444,415 1.504,416 2.031,418 4.563,419 1.388,420 2.821,421 1.634,422 4.377,423 2.364,424 1.397,425 1.941,427 3.92,428 1.336,429 2.65,430 1.452,431 4.1,432 2.211,433 1.285,434 1.698,436 3.204,437 1.157,438 2.644,439 1.162,440 3.858,441 2.062,442 1.089,443 1.645,445 3.062,446 1.055,447 2.5,448 1,449 3.57,450 2,451 1,452 1.5,454 2.513,455 1,456 2.359,457 0.933,458 3.272,459 1.86,460 0.896,461 1.293,463 2.136,464 0.862,465 2.132,466 0.636,467 3.247,468 1.562,469 0.632,470 0.947,472 1.623,473 0.581,474 16.048,475 0.459,476 1.511,477 0.043,478 46.25,479 1.321,480 23.5,481 0.671,482 22.75,483 0.65,484 30.535,485 0.872,486 39.152,487 0.816,488 45.183,489 1.291,490 9.226,491 0.264,492 7.021,493 0.201,494 0.18,495 0.114,496 0.274,498 6,501 0.558,502 0.942,503 0.672,504 1.103,505 0.652,506 0.853,507 0.395,508 0.709,509 0.597,510 0.852,511 0.402,512 0.84,513 0.705,514 0.956,515 1.014,516 1.163,517 0.604,518 1.139,519 1.243,520 0.913,521 1.063,522 0.764,523 1.216,524 0.865,525 0.968,526 1.352,527 1.289,528 1.736,529 1.053,530 1.035,531 0.684,532 0.593,533 1.043,534 0.665,535 0.764,536 0.841,537 0.642,538 0.797,539 0.777,540 1.006,541 0.626,542 1.053,543 0.967,544 1.042,545 0.845,546 0.847,547 0.917,548 0.95,549 12,550 0.286,551 5.333,552 3.222,553 2.528,554 2.747,555 0.954,556 0.595,557 0.687,558 0.371,559 17200,560 78534,561 1.971,562 27.1,564 8,565 1,567 1,568 3,572 1.768,573 1.772,574 3.55,575 -0.175,582 102.415,583 2.134,584 3.943,585 4.355,586 4.73,587 4.788,588 4.788,589 3.04,590 4.286,591 5.098,592 3.82,593 2273.1,594 8.959,595 35029.6,600 268.078,601 1.84,602 5.001,603 0.316,604 0.009,605 0.09,606 0.057,607 0.045,608 0.045,609 0.015,610 0.014,611 0.017,612 0.01,613 0.617,614 0.17,615 0.88,616 0.886,617 188.566,618 0.001,619 -0.076,620 0.108,621 -0.092,622 -0.113,623 0.001,624 0.45,625 0.275,626 0.184,627 0.082,628 0.436,629 0.003,630 -0.052,631 -0.18,632 -0.104,633 -0.191,634 0.04,635 -0.177,636 -0.313,637 -0.04,638 -0.071,639 0.182,640 -0.267,641 0.128,642 -0.155,643 -0.423,644 0.051,645 -0.435,646 -0.204,647 -0.057,648 0.774,649 0.629,650 -0.035,651 0.326,652 0.789,653 -0.05,654 0.076,655 0.052,656 -0.012,657 -0.147,658 0.051,659 -0.163,660 -0.108,661 -0.147,662 0.045,663 0.031,664 -0.104,665 0.105,666 6.455,667 5.951,668 0.629,669 39.633,670 1.075,671 1.16,672 4.131,673 17.069,674 0.712,675 3.664,676 4.094,677 4.304,678 4.533,679 4.796,680 4.97,681 5.011,682 5.094,683 5.17,684 5.273,685 7.632,686 0.727,687 533.52,688 3.664,689 5.273,690 6.129,691 7.048,692 7.933,693 8.852,694 9.748,695 10.667,696 11.57,697 12.491,698 10.4,706 2,708 3,715 9,716 3,719 1,720 8,721 1,722 22,734 1,741 48,743 24,744 2,745 38,747 51,748 20,749 17,750 4,751 8,756 4,757 4,763 3,769 2,772 17,773 3,777 2,780 1,782 2,791 6,793 13,794 12,795 1,796 15,797 2,802 5,808 1,809 2,820 1,828 2,829 2,859 4,862 2,864 1,866 6,868 35,872 1,877 1,882 2,892 6,893 4.2,896 2,901 19.75,902 9.074,903 7.139,904 2.546,907 3.962,908 1.492,909 1.018,910 6.415,911 12.018,912 3.951,913 4.64,914 5.194,915 5.759,916 6.262,917 6.634,918 6.968,919 7.294,920 7.638,921 7.985,922 1,923 57,924 16.469,926 10.478,927 0.026,929 8.76,931 22.789,933 18.973,936 3.26,937 114.083,941 141.253,942 165.511,943 66.606,945 44.313,946 89.761,947 36.859,948 128.651,949 185.566,950 156.367,951 8.825,953 90.665,954 92.738,955 127.392,956 11.771,957 160.534,958 15.519,959 141.253,960 195.257,961 134.074,962 36.859,964 143.581,965 134.074,968 45.783,969 98.722,970 54.232,971 31.052,972 231.014,973 110.919,974 165.511,976 5.807,977 156.772,978 50.502,979 93.853,980 18.011,981 182.498,982 141.253,983 200.68,984 165.511,986 0.617,987 0.336,988 0.159,989 0.095,990 30,991 15,992 0.098,993 5,995 1,996 4.304,997 341.718,999 22,1000 152.015,1001 1,1004 1,1005 25.154,1006 8.926,1007 5.341,1009 200.509,1010 10.002,1011 12.157,1014 0.962,1015 -3.335,1016 0.304,1017 18.011,1018 507.444,1019 51,1022 -4.918,1024 25.901,1031 51.578,1032 55.695,1034 0.382,1035 0.706,1036 0.78,1037 0.847,1038 0.857,1039 0.857,1040 5.25,1041 1.78,1042 6.232,1043 6.315,1044 4.779,1045 5.328,1046 3.714,1047 7.165,1048 4.61,1049 6.546,1050 1.504,1051 7.892,1052 5.299,1053 4.844,1054 5.491,1055 4.586,1056 8.601,1057 4.478,1058 7.93,1059 1.397,1060 9.67,1061 4.563,1062 6.6,1063 7.666,1064 6.111,1065 11.608,1066 6.238,1067 9.354,1068 1.285,1069 11.518,1070 3.92,1071 7.397,1072 8.601,1073 7.382,1074 13.783,1075 6.849,1076 10.809,1077 1.089,1078 13.411,1079 3.204,1080 8.771,1081 10.349,1082 8.751,1083 16.456,1084 8.196,1085 12.288,1086 1,1087 15.332,1088 3.062,1089 9.833,1090 11.62,1091 10.082,1092 18.879,1093 9.108,1094 13.785,1095 0.896,1096 17.273,1097 2.513,1098 11.095,1099 13.226,1100 11.427,1101 21.47,1102 10.314,1103 3.561,1104 0.632,1105 19.229,1106 2.136,1107 12.257,1108 14.652,1109 12.767,1110 23.985,1111 11.356,1112 3.351,1113 13.694,1114 21.196,1115 1.623,1116 13.489,1117 16.216,1118 14.11,1119 26.56,1120 12.515,1121 3.23,1122 11.913,1123 23.172,1124 4.892,1125 14.691,1126 17.716,1127 15.451,1128 29.114,1129 13.616,1130 3.014,1131 11.446,1132 25.155,1133 4.107,1134 15.918,1135 19.274,1136 16.793,1137 31.692,1138 14.765,1139 2.649,1140 10.115,1141 27.143,1142 3.924,1143 17.138,1144 20.812,1145 18.134,1146 34.266,1147 15.895,1148 2.342,1149 7.812,1150 29.136,1151 3.556,1152 18.368,1153 22.374,1154 19.476,1155 36.852,1156 17.046,1157 2.08,1158 6.907,1159 31.133,1160 3.425,1161 19.597,1162 23.931,1163 20.818,1164 39.438,1165 18.192,1166 16657,1167 36015,1168 23.75,1169 34.188,1170 60.878,1171 59.172,1172 60.368,1173 60.056,1174 59.617,1175 78.688,1176 16.101,1177 189.044,1178 54.619,1179 5.784,1180 6.726,1181 7.481,1182 5.568,1183 5.561,1184 7.892,1185 5.335,1186 21.869,1187 5.287,1188 23.35,1189 1.602,1190 1.557,1191 1.589,1192 1.58,1193 1.569,1194 2.071,1195 0.424,1196 4.975,1197 1.437,1198 4.17,1199 4.167,1200 4.771,1201 4.12,1202 8.518,1203 4.051,1204 3.937,1205 3.966,1206 4.208,1207 3.856,1208 8.509,1209 3.846,1210 3.884,1211 3.92,1212 3.875,1213 3.785,1214 7.999,1215 3.789,1216 3.695,1217 3.702,1218 3.794,1219 3.614,1220 7.999,1221 3.548,1222 3.484,1223 3.492,1224 3.672,1225 3.395,1226 7.999,1227 3.335,1228 3.431,1229 3.47,1230 3.475,1231 3.113,1232 7.999,1233 3.179,1234 3.067,1235 3.144,1236 3.082,1237 2.826,1238 7.716,1239 2.819,1240 2.994,1241 3.061,1242 2.878,1243 2.765,1244 6.999,1245 2.778,1246 0.131,1247 0.124,1248 0.202,1249 0.118,1250 0.094,1251 4.995,1252 0.129,1253 4.726,1254 0.101,1255 7.68,1256 0.36,1257 4.487,1258 0.086,1259 3.561,1260 4.892,1261 3.825,1262 13.694,1263 3.287,1264 1.983,1265 1.994,1266 2.009,1267 2.063,1268 1.219,1269 2.082,1270 1.886,1271 1.855,1272 1.975,1273 1.983,1274 1.063,1275 1.995,1276 1.642,1277 1.625,1278 1.773,1279 1.791,1280 0.906,1281 1.781,1282 1.562,1283 1.557,1284 1.508,1285 1.755,1286 0.737,1287 1.757,1288 1.254,1289 1.222,1290 1.297,1291 1.532,1292 0.429,1293 1.456,1294 1.179,1295 1.151,1296 1.224,1297 1.461,1298 0.376,1299 1.414,1300 1.14,1301 1.091,1302 1.181,1303 1.347,1304 0.308,1305 1.354,1306 0.886,1307 0.821,1308 1.163,1309 1.206,1310 0.218,1311 1.143,1312 4.344,1314 5.746,1315 3.045,1316 7.313,1317 5.352,1318 8.95,1319 7.413,1320 10.628,1322 1.403,1324 79.014,1329 3.003,1334 -10.41,1340 34.898,1341 102.415,1342 189.284,1343 209.059,1344 227.059,1345 229.814,1346 229.814,1347 113.923,1348 8.056,1349 89.77,1350 126.39,1351 22,1352 13.002,1353 4.644,1354 3.807,1355 59.509,1356 159,1357 183,1358 0.182,1359 215.185,1360 381.14,1361 516.811,1362 37049,1363 12.5,1364 25.596,1365 0.731,1366 0.543,1367 21.199,1368 19.019,1369 16.247,1370 0.428,1371 0.309,1372 9.457,1373 13.997,1374 9.168,1375 7.504,1376 15.067,1377 11.738,1378 17.34,1379 0.294,1380 0.165,1381 15.32,1382 9.709,1383 12.784,1384 0.175,1385 0.093,1386 12.733,1387 6.817,1388 9.83,1389 0.107,1390 0.053,1391 10.914,1392 4.834,1393 8.177,1394 0.068,1395 0.03,1396 8.916,1397 3.573,1398 0.287,1399 117.643,1400 0.205,1401 32.076,1402 0.499,1403 194,1404 1030.77,1405 306.588,1406 871.463,1407 1121.06,1408 796,1409 229,1410 741.829,1411 333.049,1412 763.93,1413 1157.08,1414 712,1415 5.585}
{0 CHEMBL360832,1 1.468,2 13.129,3 1.87,4 3.496,5 123.81,6 7.026,7 0.353,8 4.222,9 4.333,10 3.778,11 3.773,12 5.219,13 3.715,14 4.82,15 4.996,16 4.195,17 4.227,18 5.72,19 4.144,20 5.127,21 5.306,22 4.281,23 4.438,24 6.083,25 4.311,26 5.318,27 5.572,28 4.201,29 4.446,30 6.204,31 4.279,32 5.256,33 5.514,34 4.206,35 4.369,36 6.13,37 4.219,38 5.147,39 5.359,40 4.041,41 4.356,42 6.083,43 4.174,44 5.158,45 5.446,46 3.881,47 4.23,48 5.978,49 4.022,50 4.89,51 5.13,52 3.803,53 4.005,54 5.871,55 3.872,56 0.041,57 0.855,58 15.163,59 6.747,60 12.423,61 8.571,62 0.265,63 1.479,64 30.864,65 11.64,66 22.8,67 14.77,68 0.462,69 1.92,70 43.299,71 16.305,72 51.951,73 20.626,74 0.578,75 2.168,76 53.022,77 19.08,78 78.73,79 25.416,80 0.557,81 2.003,82 50.291,83 17.286,84 67.882,85 22.817,86 0.511,87 1.879,88 48.37,89 17.324,90 66.209,91 21.32,92 0.504,93 1.836,94 48.178,95 16.889,96 64.135,97 22.777,98 0.378,99 1.369,100 32.935,101 11.664,102 60.083,103 15.34,104 30,105 50,106 0.237,107 0.547,108 0.754,109 0.809,110 0.821,111 0.827,112 3.472,113 1.051,114 -0.48,115 -0.61,116 -0.75,121 39.7,123 4,126 3,127 3,129 1,132 1,144 7,145 2,146 3,158 1,176 8,180 3,185 3,187 14,189 3,191 1,192 5,200 8,203 2,206 6,209 1,213 1,214 3,216 3,219 4,224 2,227 10,229 1,234 1,237 2,239 7,243 2,244 2,249 4,251 8,253 2,256 1,261 2,264 2,266 1,269 6,272 2,274 1,277 3,279 2,281 1609,282 20.687,283 20.687,284 20.687,285 20.687,286 20.687,287 19.082,288 26.575,289 11.811,290 21.341,291 16.632,292 16.632,293 16.632,294 16.632,295 16.632,296 14.083,297 34.113,298 5.451,299 17.557,300 4.509,301 2.593,302 1.312,303 0.969,304 0.893,305 0.861,306 4.162,311 1,312 1,313 879,314 4,317 75.346,318 322.484,321 143.509,325 2.142,326 31.678,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 66.5,338 407,339 4.451,340 4.689,341 7.095,342 4.356,343 3.412,344 4.091,345 3.389,346 12.22,347 3.233,348 4.407,349 3.778,350 6.889,351 4.104,352 3.166,353 3.547,354 1.975,355 11.576,356 2.962,357 4.184,358 3.668,359 6.431,360 4.025,361 3.083,362 3.388,363 1.26,364 10.082,365 2.894,366 3.92,367 3.343,368 6.054,369 3.645,370 2.701,371 3.214,372 0.86,373 8.717,374 2.552,375 3.782,376 3.157,377 5.688,378 3.395,379 2.404,380 3.067,381 0.86,382 7.371,383 2.375,384 3.578,385 2.741,386 5.295,387 3.242,388 2.262,389 2.773,390 0.245,391 6.782,392 2.189,393 3.093,394 2.577,395 4.717,396 2.698,397 1.771,398 2.285,400 5.118,401 1.628,402 2.874,403 2.379,404 4.166,405 2.439,406 1.442,407 2.028,409 3.26,410 1.437,411 2.5,412 2.096,413 4,414 2.121,415 1.144,416 1.5,418 3.069,419 1.092,420 2.407,421 1.536,422 3.943,423 2,424 1.136,425 1.321,427 2.841,428 1,429 2.223,430 1.077,431 3.716,432 1.984,433 1,434 1.204,436 2.472,437 0.983,438 2,439 1.054,440 3.373,441 1.978,442 1,443 1,445 2.136,446 0.939,447 1.49,448 1,449 3.247,450 1.382,451 0.413,452 0.432,454 1.014,455 0.395,456 1.471,457 0.837,458 3.143,459 1.209,460 0.359,461 0.387,463 0.488,464 0.303,465 1.388,466 0.749,467 3,468 1.121,469 0.241,470 0.271,472 0.458,473 0.209,474 15.067,475 0.486,476 0.93,477 0.03,478 34.5,479 1.113,480 15,481 0.484,482 19.5,483 0.629,484 33.576,485 1.083,486 35.033,487 0.556,488 25.812,489 0.833,490 6.524,491 0.21,492 8.304,493 0.268,494 0.144,495 0.06,496 0.232,501 0.837,502 1.297,503 0.827,504 1.085,505 0.737,506 1.04,507 1.146,508 0.907,509 0.952,510 0.86,511 0.722,512 0.843,513 1.083,514 1.229,515 1.199,516 1.233,517 1.286,518 1.221,519 0.764,520 1.037,521 0.919,522 1.027,523 0.898,524 1.01,525 1.082,526 0.865,527 0.823,528 0.841,529 1.163,530 0.858,531 1.22,532 1.175,533 1.491,534 1.321,535 1.646,536 1.244,537 0.394,538 1.007,539 0.975,540 1.09,541 0.489,542 0.954,543 1.337,544 0.927,545 0.878,546 0.847,547 1.689,548 0.926,549 9,550 0.112,551 4,552 2.479,553 2.685,554 0.875,555 1.077,556 0.52,557 0.35,558 0.351,559 13749,560 31920,561 2.05,562 50.8,564 23,567 1,568 2,569 2,570 4,572 1.733,573 1.898,574 3.675,575 -0.393,577 1,582 92.472,583 1.468,584 3.385,585 4.665,586 5.009,587 5.084,588 5.116,589 3.139,590 3.962,591 4.924,592 3.847,593 1789,594 8.581,595 25924.7,597 1,600 376.569,601 1.64,602 4.863,603 0.265,604 0.004,605 0.08,606 0.05,607 0.06,608 0.02,609 0.029,610 0.016,611 0.011,612 0.013,613 0.547,614 0.33,615 1,616 0.839,617 162.8,618 -0.019,619 -0.115,620 0.076,621 -0.005,622 -0.048,623 0.015,624 -0.124,625 0.232,626 0.076,627 0.192,628 -0.011,629 0.159,630 -0.046,631 -0.155,632 -0.167,633 -0.171,634 -0.108,635 -0.212,636 0.1,637 -0.071,638 0.041,639 -0.058,640 0.092,641 -0.023,642 -0.036,643 0.09,644 0.139,645 0.1,646 -0.029,647 0.107,648 -0.143,649 -0.145,650 -0.293,651 -0.189,652 -0.209,653 -0.234,654 0.24,655 -0.063,656 0.078,657 -0.063,658 0.238,659 0.054,660 -0.121,661 0.02,662 0.021,663 0.053,664 -0.1,665 0.023,666 2.143,667 6.1,668 0.677,669 34.92,670 0.995,671 1.122,672 -0.748,673 0.559,674 0.655,675 3.555,676 3.932,677 4.174,678 4.431,679 4.7,680 4.718,681 4.86,682 4.997,683 4.942,684 5.011,685 7.631,686 0.607,687 442.65,688 3.555,689 5.13,690 5.984,691 6.889,692 7.763,693 8.668,694 9.553,695 10.456,696 11.347,697 12.25,698 1.6,712 1,715 7,720 5,722 12,739 2,741 63,743 13,744 2,745 34,747 66,748 25,749 12,750 5,751 7,756 4,757 5,767 4,768 1,770 5,772 13,773 12,774 1,777 1,782 1,786 1,790 1,793 32,794 4,795 1,796 6,797 1,802 1,803 1,807 1,808 0.75,809 4,812 1,828 1,829 3,832 1,841 1,857 1,859 3,860 1,862 1,864 3,868 31,875 1,876 7,878 2,879 1,880 1,882 1,883 1,893 6.3,894 1,896 1,898 2,901 16.333,902 12.033,903 6.75,904 3.8,907 1.982,908 1.253,909 0.91,910 6.568,911 9.807,912 3.738,913 4.29,914 4.745,915 5.223,916 5.71,917 5.784,918 6.009,919 6.254,920 6.244,921 6.277,922 0.889,923 50,924 11.604,926 5.027,927 0.026,929 7.642,931 22.605,933 19.317,936 2.142,937 66.417,941 364.904,942 168.713,945 89.828,947 32.22,948 136.494,949 454.732,951 30.162,952 16.455,953 109.017,954 30.278,955 40.409,957 397.124,959 364.904,960 136.494,961 89.828,962 32.22,964 294.278,965 117.771,966 42.683,968 16.455,969 120.038,971 32.22,972 364.904,973 89.828,974 168.713,977 364.904,978 72.217,979 96.496,981 89.828,982 364.904,983 89.828,984 168.713,986 0.592,987 0.346,988 0.181,989 0.106,990 25,991 11,992 0.106,993 7,994 1,995 1.095,996 4.197,997 280.035,998 0.095,999 21,1000 145.58,1001 1,1005 22.504,1006 9.048,1007 5.048,1009 89.828,1010 14.422,1015 4.875,1017 42.683,1018 623.445,1019 41,1024 13.1,1028 0.14,1031 62.683,1032 70.692,1034 0.246,1035 0.566,1036 0.78,1037 0.838,1038 0.851,1039 0.856,1040 5.03,1041 1.442,1042 6.038,1043 5.118,1044 4.615,1045 4.977,1046 3.564,1047 6.925,1048 4.514,1049 6.249,1050 1.144,1051 7.655,1052 3.26,1053 4.511,1054 4.902,1055 2.219,1056 8.264,1057 4.332,1058 7.587,1059 1.136,1060 9.381,1061 3.069,1062 6.372,1063 7.083,1064 5.635,1065 11.224,1066 6.166,1067 8.954,1068 1,1069 11.171,1070 2.841,1071 7.04,1072 7.723,1073 4.214,1074 13.305,1075 6.743,1076 10.348,1077 1,1078 13.002,1079 2.472,1080 8.443,1081 9.464,1082 7.988,1083 15.891,1084 8.119,1085 11.759,1086 0.413,1087 14.858,1088 2.136,1089 9.416,1090 10.421,1091 6.602,1092 18.222,1093 9.005,1094 13.183,1095 0.359,1096 16.733,1097 1.014,1098 10.669,1099 11.986,1100 10.394,1101 20.715,1102 10.22,1103 3.412,1104 0.241,1105 18.62,1106 0.488,1107 11.766,1108 13.114,1109 9.161,1110 23.135,1111 11.241,1112 3.166,1113 12.22,1114 20.517,1115 0.458,1116 12.971,1117 14.595,1118 12.812,1119 25.608,1120 12.399,1121 3.083,1122 11.576,1123 22.422,1124 4.091,1125 14.121,1126 15.826,1127 11.751,1128 28.062,1129 13.482,1130 2.701,1131 10.082,1132 24.333,1133 3.547,1134 15.313,1135 17.265,1136 15.235,1137 30.535,1138 14.623,1139 2.404,1140 8.717,1141 26.248,1142 3.388,1143 16.488,1144 18.56,1145 14.332,1146 33.003,1147 15.736,1148 2.262,1149 7.371,1150 28.168,1151 3.214,1152 17.68,1153 19.977,1154 17.659,1155 35.479,1156 16.875,1157 1.771,1158 6.782,1159 30.092,1160 3.067,1161 18.867,1162 21.314,1163 16.895,1164 37.955,1165 18.004,1166 13100,1167 20122,1168 22.246,1169 41.273,1170 51.354,1171 54.492,1172 53.273,1173 50.989,1174 51.066,1175 61.012,1176 17.178,1177 155.206,1178 48.379,1179 5.451,1180 6.689,1181 6.897,1182 5.475,1183 5.412,1184 7.091,1185 6.716,1186 19.143,1187 5.233,1188 16.371,1189 1.51,1190 1.603,1191 1.567,1192 1.5,1193 1.502,1194 1.794,1195 0.505,1196 4.565,1197 1.423,1198 4.047,1199 4.09,1200 4.139,1201 3.982,1202 7.426,1203 3.958,1204 3.967,1205 3.986,1206 3.918,1207 3.884,1208 6.445,1209 3.878,1210 3.84,1211 3.876,1212 3.753,1213 3.739,1214 4.922,1215 3.737,1216 3.62,1217 3.652,1218 3.606,1219 3.464,1220 4.756,1221 3.467,1222 3.419,1223 3.466,1224 3.376,1225 3.242,1226 4.495,1227 3.238,1228 3.247,1229 3.314,1230 3.078,1231 2.972,1232 4.338,1233 2.979,1234 3.195,1235 3.254,1236 3.057,1237 2.958,1238 4.316,1239 2.962,1240 3.111,1241 3.206,1242 2.877,1243 2.941,1244 3.801,1245 2.91,1246 0.131,1247 0.138,1248 0.209,1249 0.128,1250 0.1,1251 4.451,1252 0.12,1253 4.689,1254 0.1,1255 7.095,1256 0.359,1257 4.356,1258 0.095,1259 3.412,1260 4.091,1261 3.389,1262 12.22,1263 3.233,1264 1.968,1265 1.924,1266 2.128,1267 2.138,1268 1.506,1269 2.14,1270 1.87,1271 1.86,1272 2.002,1273 1.968,1274 1.209,1275 1.975,1276 1.844,1277 1.809,1278 1.948,1279 1.95,1280 1.15,1281 1.956,1282 1.603,1283 1.569,1284 1.762,1285 1.779,1286 1.021,1287 1.784,1288 1.369,1289 1.31,1290 1.622,1291 1.581,1292 0.884,1293 1.6,1294 1.203,1295 1.148,1296 1.574,1297 1.521,1298 0.825,1299 1.537,1300 1.188,1301 1.111,1302 1.526,1303 1.464,1304 0.611,1305 1.496,1306 1.153,1307 1.064,1308 1.513,1309 1.376,1310 0.575,1311 1.429,1312 4.234,1314 5.595,1315 2.398,1316 7.146,1317 4.727,1318 8.778,1319 6.843,1320 10.453,1322 5.491,1327 11.202,1328 4.954,1330 10.788,1331 1.582,1332 -0.15,1334 -0.893,1335 0.906,1340 38.233,1341 92.472,1342 213.227,1343 293.898,1344 315.549,1345 320.304,1346 322.304,1347 71.504,1348 7.825,1349 55.76,1350 81.06,1351 23,1352 12.772,1353 3.807,1354 3,1355 49.704,1356 143,1357 139,1358 0.17,1359 235.888,1360 417.33,1361 567.326,1362 28426,1364 22.062,1365 0.712,1366 0.628,1367 22.416,1368 19.465,1369 14.828,1370 0.436,1371 0.35,1372 10.949,1373 13.807,1374 10.506,1375 8.692,1376 15.237,1377 11.916,1378 14.071,1379 0.281,1380 0.214,1381 14.713,1382 10.711,1383 11.594,1384 0.181,1385 0.13,1386 12.431,1387 8.313,1388 9.361,1389 0.113,1390 0.075,1391 10.216,1392 6.198,1393 8.058,1394 0.074,1395 0.046,1396 8.925,1397 5.024,1398 0.272,1399 97.141,1400 0.212,1401 29.435,1402 0.451,1403 168,1404 428.55,1405 206.694,1406 426.532,1407 574.81,1408 400,1409 198,1410 394.129,1411 236.178,1412 416.815,1413 606.92,1414 388,1415 7.048}
{0 CHEMBL361165,1 1.341,2 18.333,3 5.115,4 26.165,5 190.726,6 6.446,7 0.571,8 4.602,9 4.746,10 4.043,11 4.127,12 5.597,13 4.075,14 5.151,15 5.36,16 4.354,17 4.524,18 6.029,19 4.444,20 5.414,21 5.645,22 4.472,23 4.724,24 6.244,25 4.611,26 5.582,27 5.846,28 4.497,29 4.806,30 6.343,31 4.668,32 5.615,33 5.865,34 4.544,35 4.875,36 6.39,37 4.731,38 5.725,39 6.001,40 4.512,41 4.897,42 6.497,43 4.74,44 5.693,45 5.965,46 4.392,47 4.847,48 6.488,49 4.664,50 5.708,51 6.028,52 4.212,53 4.718,54 6.42,55 4.505,56 0.126,57 1.367,58 22.479,59 8.633,60 19.525,61 12.626,62 0.338,63 2.181,64 39.714,65 13.944,66 32.992,67 20.872,68 0.357,69 2.73,70 51.268,71 18.97,72 42.432,73 28.228,74 0.627,75 3.059,76 61.031,77 22.507,78 51.824,79 33.293,80 0.4,81 3.221,82 62.283,83 24.146,84 46.288,85 35.634,86 0.586,87 3.466,88 70.497,89 25.029,90 64.717,91 37.802,92 0.462,93 3.356,94 67.776,95 24.93,96 70.009,97 37.56,98 0.699,99 3.175,100 69.54,101 24.042,102 78.007,103 36.873,104 27,105 66,106 0.197,107 0.49,108 0.678,109 0.805,110 0.869,111 0.891,112 3.831,113 0.994,114 -5.31,115 -5.19,116 -4.85,121 40.4,123 3,126 3,127 7,144 15,145 5,146 3,148 2,165 2,166 2,167 2,176 17,180 6,185 6,187 21,189 9,192 3,197 3,200 18,203 8,205 2,206 3,209 1,211 2,213 2,214 22,216 6,217 1,219 1,224 3,226 1,227 23,229 5,230 1,232 4,237 12,239 19,241 8,244 1,249 14,251 12,253 9,255 1,256 2,258 1,259 1,260 1,261 7,263 1,264 10,266 3,269 1,273 2,274 3,276 3,277 7,279 1,280 1,281 4947,282 30.819,283 30.819,284 30.819,285 30.819,286 30.819,287 27.497,288 35.383,289 18.751,290 31.42,291 24.194,292 24.194,293 24.194,294 24.194,295 24.194,296 19.202,297 44.173,298 8.91,299 25.067,300 5.213,301 3.22,302 1.942,303 1.073,304 0.641,305 0.492,306 4.536,312 1,313 1793,314 4.848,318 656.947,322 409.069,325 2.622,326 21.708,329 0.75,330 0.67,331 0.67,332 0.9,333 0.5,334 0.67,335 0.5,336 0.66,337 94,338 825,339 4.839,340 3.417,341 7.141,342 4.369,343 3.393,344 4.905,345 0.916,346 12.515,347 3.314,348 4.204,349 3.177,350 6.325,351 3.833,352 2.868,353 3.884,354 0.86,355 9.493,356 2.768,357 4.167,358 2.758,359 6.153,360 3.736,361 2.744,362 3.805,363 0.8,364 9.086,365 2.721,366 4.053,367 2.73,368 6.102,369 3.599,370 2.624,371 3.689,372 0.4,373 8.753,374 2.557,375 3.602,376 2.679,377 5.245,378 3.329,379 2.404,380 3.068,381 0.172,382 6.315,383 2.222,384 3.577,385 2.625,386 5.077,387 3.179,388 2.245,389 3,391 6.184,392 2.141,393 3.417,394 2.309,395 5.021,396 3.16,397 2.209,398 2.697,400 5.986,401 2.108,402 3.347,403 2.265,404 4.994,405 3.145,406 2.172,407 2.433,409 5.96,410 2.054,411 3.287,412 2.029,413 4.881,414 2.893,415 1.908,416 2.322,418 5.405,419 1.877,420 2.917,421 1.953,422 4.277,423 2.745,424 1.797,425 2.087,427 3.967,428 1.701,429 2.851,430 1.929,431 4.22,432 2.493,433 1.544,434 1.981,436 3.74,437 1.461,438 2.821,439 1.521,440 4.073,441 2.44,442 1.448,443 1.912,445 3.304,446 1.432,447 2.798,448 1.478,449 3.843,450 2.396,451 1.408,452 1.835,454 3.193,455 1.389,456 2.676,457 1.359,458 3.683,459 2.327,460 1.336,461 1.753,463 3.029,464 1.322,465 2.541,466 1.228,467 3.621,468 2.183,469 1.188,470 1.552,472 2.919,473 1.181,474 21.733,475 0.483,476 0.904,477 0.02,478 54.75,479 1.217,480 26.5,481 0.589,482 28.25,483 0.628,484 47.349,485 1.052,486 49.367,487 0.525,488 47.505,489 1.056,490 10.981,491 0.244,492 10.959,493 0.244,494 0.106,496 0.285,501 1.106,502 1.347,503 0.97,504 1.127,505 1.198,506 1.047,507 1.489,508 1.025,509 1.029,510 0.908,511 0.808,512 0.921,513 1.06,514 1.137,515 1.029,516 1.067,517 0.878,518 1.046,519 0.96,520 0.871,521 0.95,522 0.902,523 0.748,524 0.923,525 0.731,526 1.134,527 0.986,528 1.108,529 0.653,530 1.075,531 1.151,532 0.979,533 1.042,534 0.96,535 0.943,536 0.985,537 0.877,538 1.229,539 1.128,540 1.208,541 1.122,542 1.191,543 0.835,544 0.875,545 0.938,546 0.893,547 1.103,548 0.916,549 7,550 0.182,551 4.222,552 2.938,553 2.827,554 1.632,555 1.131,556 0.622,557 0.451,558 0.242,559 42695,560 87728,561 2.082,562 52.1,564 38,567 5,570 6,572 1.822,573 1.971,574 3.985,575 1.977,582 126.08,583 1.341,584 3.334,585 4.613,586 5.481,587 5.913,588 6.062,589 3.303,590 5.253,591 5.464,592 4.341,593 4297.1,594 9.645,595 90049.4,600 616.131,601 1.312,602 5.433,603 0.143,604 0.005,605 0.064,606 0.041,607 0.039,608 0.021,609 0.016,610 0.01,611 0.009,612 0.006,613 0.354,615 0.63,616 0.596,617 270.419,618 -0.019,619 -0.095,620 0.053,621 -0.014,622 -0.093,623 0.021,624 -0.173,625 0.127,626 0.004,627 0.117,628 0.034,629 0.084,630 -0.063,631 -0.049,632 -0.029,633 -0.036,634 -0.01,635 -0.029,636 0.075,637 0.148,638 0.047,639 0.095,640 0.044,641 0.071,642 0.031,643 -0.106,644 -0.012,645 -0.073,646 0.062,647 -0.051,648 -0.119,649 0.027,650 -0.047,651 0.019,652 -0.018,653 -0.003,654 -0.05,655 -0.231,656 -0.151,657 -0.21,658 -0.05,659 -0.193,660 0.08,661 0.049,662 0.044,663 0.039,664 0.006,665 0.038,666 0.896,667 2.314,668 0.578,669 66.456,670 0.983,671 1.129,672 4.075,673 16.607,674 0.647,675 3.912,676 4.205,677 4.477,678 4.779,679 5.081,680 5.215,681 5.371,682 5.509,683 5.617,684 5.58,685 11.178,686 0.598,687 605.93,688 3.912,689 5.442,690 6.286,691 7.162,692 8.035,693 8.928,694 9.818,695 10.722,696 11.625,697 12.537,698 6.4,700 1,701 2,702 2,708 1,714 4,715 15,720 6,721 1,722 28,733 2,739 1,741 94,743 28,744 4,745 49,747 98,748 38,749 25,750 9,751 15,756 5,757 8,770 3,772 25,773 13,793 49,794 6,795 5,796 7,802 6,803 1,808 0.6,809 1,822 1,829 5,833 2,853 1,855 2,859 3,864 3,868 45,869 2,876 10,877 1,878 1,881 2,893 1.1,898 1,901 22.833,902 17.233,903 10.139,904 5.675,907 5.258,908 1.602,909 0.993,910 11.803,911 13.992,912 4.159,913 4.758,914 5.39,915 6.064,916 6.748,917 7.187,918 7.72,919 8.219,920 8.683,921 8.943,922 1,923 72,924 16.629,926 6.809,927 0.026,929 7.448,931 32.927,933 26.887,936 1.948,937 87.667,941 517.928,942 221.911,943 91.953,945 11,948 221.911,949 528.928,950 91.953,951 27.676,952 22.344,953 225.949,954 1.899,955 46.996,957 517.928,959 517.928,960 313.864,961 11,964 447.302,965 81.626,968 51.504,969 260.461,970 1.899,972 517.928,973 102.953,974 221.911,977 517.928,978 52.091,979 177.967,980 18.011,981 76.794,982 517.928,983 102.953,984 221.911,986 0.566,987 0.327,988 0.185,989 0.111,990 28,991 13,992 0.163,993 16,994 2,995 1.154,996 5.445,997 450.025,998 0.154,999 26,1000 241.133,1005 32.861,1006 16.163,1007 8.601,1008 4.71,1009 101.054,1010 31.363,1015 6.109,1016 2.434,1017 83.805,1018 842.792,1019 63,1031 92.436,1032 106.126,1034 0.205,1035 0.509,1036 0.704,1037 0.836,1038 0.902,1039 0.925,1040 5.38,1041 2.172,1042 6.248,1043 5.986,1044 4.89,1045 5.447,1046 1.661,1047 7.052,1048 4.826,1049 6.57,1050 1.908,1051 7.794,1052 5.96,1053 4.369,1054 5.239,1055 0.57,1056 7.974,1057 4.256,1058 7.869,1059 1.797,1060 9.448,1061 5.405,1062 6.457,1063 7.698,1064 1.271,1065 11.14,1066 6.336,1067 9.211,1068 1.544,1069 11.171,1070 3.967,1071 6.804,1072 8.402,1073 0.581,1074 12.986,1075 6.641,1076 10.593,1077 1.448,1078 12.943,1079 3.74,1080 8.329,1081 10.319,1082 1.026,1083 15.69,1084 8.16,1085 12.006,1086 1.408,1087 14.749,1088 3.304,1089 9.108,1090 11.473,1091 0.515,1092 17.924,1093 8.908,1094 13.444,1095 1.336,1096 16.582,1097 3.193,1098 10.409,1099 13.171,1100 0.841,1101 20.489,1102 10.198,1103 3.393,1104 1.188,1105 18.436,1106 3.029,1107 11.408,1108 14.549,1109 0.441,1110 22.886,1111 11.17,1112 2.868,1113 12.515,1114 20.306,1115 2.919,1116 12.626,1117 16.163,1118 0.689,1119 25.413,1120 12.374,1121 2.744,1122 9.493,1123 22.19,1124 4.905,1125 13.733,1126 17.649,1127 0.373,1128 27.881,1129 13.456,1130 2.624,1131 9.086,1132 24.085,1133 3.884,1134 14.929,1135 19.235,1136 0.564,1137 30.399,1138 14.634,1139 2.404,1140 8.753,1141 25.989,1142 3.805,1143 16.087,1144 20.774,1145 0.314,1146 32.898,1147 15.769,1148 2.245,1149 6.315,1150 27.901,1151 3.689,1152 17.283,1153 22.354,1154 0.461,1155 35.418,1156 16.944,1157 2.209,1158 6.184,1159 29.82,1160 3.068,1161 18.467,1162 23.917,1163 0.264,1164 37.931,1165 18.105,1166 40239,1167 57841,1168 32.997,1169 60.859,1170 71.852,1171 71.742,1172 74.058,1173 71.435,1174 71.352,1175 92.546,1176 6.298,1177 198.93,1178 68.965,1179 5.815,1180 5.417,1181 7.003,1182 5.413,1183 5.393,1184 7.905,1185 1.776,1186 20.515,1187 5.314,1188 21.9,1189 1.466,1190 1.464,1191 1.511,1192 1.458,1193 1.456,1194 1.889,1195 0.129,1196 4.06,1197 1.407,1198 4.226,1199 4.252,1200 4.197,1201 4.163,1202 5.167,1203 4.168,1204 3.944,1205 3.979,1206 3.876,1207 3.86,1208 5.086,1209 3.859,1210 3.858,1211 3.888,1212 3.79,1213 3.807,1214 4.864,1215 3.8,1216 3.79,1217 3.86,1218 3.694,1219 3.677,1220 4.822,1221 3.676,1222 3.754,1223 3.798,1224 3.648,1225 3.608,1226 4.666,1227 3.607,1228 3.669,1229 3.743,1230 3.526,1231 3.496,1232 4.398,1233 3.492,1234 3.563,1235 3.641,1236 3.421,1237 3.386,1238 4.371,1239 3.381,1240 3.414,1241 3.502,1242 3.282,1243 3.201,1244 4.279,1245 3.209,1246 0.099,1247 0.07,1248 0.146,1249 0.089,1250 0.069,1251 4.839,1252 0.1,1253 3.417,1254 0.019,1255 7.141,1256 0.255,1257 4.369,1258 0.068,1259 3.393,1260 4.905,1261 0.916,1262 12.515,1263 3.314,1264 2.176,1265 2.156,1266 2.228,1267 2.254,1268 1.447,1269 2.248,1270 1.911,1271 1.885,1272 2.037,1273 2.028,1274 1.31,1275 2.033,1276 1.869,1277 1.842,1278 1.99,1279 1.962,1280 1.23,1281 1.974,1282 1.758,1283 1.715,1284 1.983,1285 1.944,1286 1.162,1287 1.961,1288 1.741,1289 1.678,1290 1.909,1291 1.88,1292 1.101,1293 1.893,1294 1.657,1295 1.585,1296 1.857,1297 1.845,1298 1.063,1299 1.854,1300 1.552,1301 1.478,1302 1.811,1303 1.764,1304 0.927,1305 1.783,1306 1.38,1307 1.294,1308 1.675,1309 1.632,1310 0.832,1311 1.65,1312 4.595,1314 5.894,1316 7.396,1318 9.005,1320 10.684,1322 6.15,1326 12.622,1328 10.278,1329 3.684,1330 5.504,1333 4.814,1340 56.169,1341 126.08,1342 313.414,1343 433.615,1344 515.237,1345 555.867,1346 569.867,1347 76.748,1348 8.735,1349 83.66,1350 83.66,1351 30,1352 13.053,1353 4.858,1354 3.907,1355 77.438,1356 305,1357 304,1358 0.118,1359 346.482,1360 591.45,1361 837.176,1362 105439,1364 31.597,1365 0.702,1366 0.604,1367 31.597,1368 27.189,1369 21.94,1370 0.448,1371 0.331,1372 16.042,1373 21.319,1374 15.547,1375 13.021,1376 21.94,1377 16.227,1378 19.066,1379 0.289,1380 0.186,1381 19.066,1382 12.243,1383 15.642,1384 0.18,1385 0.1,1386 15.642,1387 8.722,1388 13.252,1389 0.112,1390 0.055,1391 13.252,1392 6.456,1393 11.299,1394 0.071,1395 0.029,1396 11.299,1397 4.622,1398 0.197,1399 135.763,1400 0.174,1401 40.575,1402 0.298,1403 230,1404 500.316,1405 242.565,1406 501.999,1407 704.53,1408 474,1409 268,1410 526.7,1411 282.147,1412 548.464,1413 795.72,1414 513,1415 6.035}
{0 CHEMBL361409,1 1.487,2 8.524,3 2.699,4 7.286,5 83.144,6 6.578,7 0.261,8 3.873,9 4.009,10 3.342,11 3.331,12 4.854,13 3.303,14 4.476,15 4.689,16 3.764,17 3.775,18 5.435,19 3.729,20 4.715,21 4.918,22 3.846,23 3.992,24 5.597,25 3.911,26 4.908,27 5.164,28 3.753,29 4.036,30 5.782,31 3.913,32 4.825,33 5.071,34 3.498,35 3.904,36 5.729,37 3.737,38 4.728,39 5.049,40 3.243,41 3.626,42 5.454,43 3.439,44 4.266,45 4.513,46 3.144,47 3.306,48 5.223,49 3.193,50 4.164,51 4.412,52 2.969,53 3.127,54 5.232,55 3.036,56 0.025,57 0.648,58 10.659,59 3.893,60 7.249,61 5.787,62 0.409,63 1.056,64 20.553,65 6.393,66 32.356,67 9.873,68 0.19,69 1.308,70 25.604,71 8.801,72 23.259,73 13.187,74 0.357,75 1.412,76 31.734,77 9.961,78 41.581,79 15.313,80 0.326,81 1.221,82 29.093,83 9.959,84 45.145,85 14.658,86 0.372,87 0.954,88 26.86,89 8.378,90 37.448,91 12.817,92 0.239,93 0.683,94 16.822,95 5.234,96 24.333,97 7.798,98 0.351,99 0.597,100 15.705,101 3.873,102 36.839,103 6.054,104 30,105 35,106 0.263,107 0.58,108 0.783,109 0.867,110 0.867,111 0.867,112 3.105,113 0.979,114 -3.35,115 -3.33,116 -3.19,121 36.4,122 2,123 1,125 1,126 2,127 2,130 1,144 3,145 1,146 2,161 1,176 5,179 2,180 7,183 2,185 1,187 6,192 8,200 5,206 7,211 2,214 3,218 1,219 5,224 2,227 2,231 1,232 1,237 1,239 2,243 1,244 2,247 1,249 2,251 2,255 1,259 1,264 1,269 1,277 2,281 515,282 13.833,283 13.833,284 13.833,285 13.833,286 13.833,287 13.017,288 23.216,289 7.883,290 14.239,291 11.265,292 11.265,293 11.265,294 11.265,295 11.265,296 9.898,297 31.489,298 3.616,299 11.865,300 3.973,301 2.187,302 1.04,303 0.569,304 0.569,305 0.569,306 3.774,310 1,311 1,312 1,313 381,314 3.464,317 73.136,318 42.446,320 59.124,321 64.089,324 89.193,325 1.306,326 16.034,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 45.5,338 179,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 3.983,349 3.662,350 6.211,351 3.64,352 2.689,353 3.318,354 0.966,355 8.828,356 2.559,357 3.681,358 2.821,359 6.169,360 3.4,361 2.46,362 2.885,363 0.693,364 8.458,365 2.295,366 3.475,367 2.742,368 5.45,369 3.303,370 2.37,371 2.601,372 0.366,373 7.184,374 2.198,375 3.304,376 2.506,377 4.859,378 2.974,379 2.017,380 2.423,382 5.444,383 1.916,384 2.617,385 1.747,386 4.692,387 2.425,388 1.483,389 1.631,391 4.373,392 1.392,393 2.519,394 1.511,395 4.214,396 2.129,397 1.135,398 1.524,400 3.06,401 1.127,402 2.121,403 1.171,404 3.723,405 1.979,406 1.019,407 1.076,409 1.879,410 0.969,411 1.783,412 0.927,413 3.138,414 1.691,415 0.724,416 0.756,418 1.625,419 0.697,420 1.232,421 0.7,422 3.085,423 0.892,424 -0.041,425 -0.047,427 -0.099,428 -0.038,429 0.762,430 0.044,431 2.654,432 0.642,433 -0.298,434 -0.305,436 -0.731,437 -0.279,438 0.709,439 -0.023,440 2.457,441 0.437,442 -0.548,443 -0.607,445 -0.905,446 -0.527,447 0.614,448 -0.316,449 2.427,450 0.305,451 -0.702,452 -0.892,454 -1.878,455 -0.707,456 0.49,457 -0.651,458 2.155,459 0.082,460 -0.909,461 -1,463 -2.701,464 -0.9,466 -0.796,467 2.116,468 -0.049,469 -1,470 -1.252,472 -2.804,473 -0.946,474 9.867,475 0.47,476 0.703,477 0.033,478 22.75,479 1.083,480 8.5,481 0.405,482 14.25,483 0.679,484 19.929,485 0.949,486 24.333,487 0.553,488 15.797,489 0.752,490 4.274,491 0.204,492 5.695,493 0.271,494 0.236,495 0.051,496 0.334,501 0.823,502 1.66,503 0.89,504 1.335,505 0.63,506 1.146,507 0.738,508 0.857,509 0.807,510 0.758,511 0.388,512 0.766,513 0.991,514 1.317,515 1.034,516 1.2,517 0.717,518 1.132,519 1.101,520 0.965,521 1.089,522 1.002,523 0.828,524 1.026,525 1.064,526 1.221,527 1.216,528 1.329,529 1.289,530 1.313,531 0.898,532 0.715,533 0.74,534 0.747,535 0.752,536 0.736,537 1.174,538 1.149,539 0.996,540 1.143,541 1.211,542 1.075,543 1.967,544 0.863,545 1.28,546 0.843,547 2.781,548 0.952,549 5.5,550 0.037,551 3.556,552 3.271,553 1.246,554 0.646,555 0.471,556 0.313,557 0.213,558 0.089,559 3800,560 8497,561 2.006,562 52.3,563 3,564 13,565 1,567 1,569 5,572 1.634,573 1.813,574 3.009,575 -0.291,576 1,577 1,579 1,582 65.418,583 1.487,584 3.273,585 4.419,586 4.891,587 4.891,588 4.891,589 2.498,590 4.107,591 4.357,592 3.152,593 661.874,594 7.482,595 6719.26,597 1,599 1,600 240.215,601 1.761,602 4.278,603 0.239,604 0.009,605 0.102,606 0.088,607 0.039,608 0.029,609 0.026,610 0.02,611 0.016,612 0.01,613 0.579,614 0.83,615 1,616 1.539,617 92.934,618 -0.009,619 -0.33,620 0.078,621 -0.139,622 -0.047,623 -0.036,624 0.262,625 0.335,626 0.197,627 0.269,628 0.25,629 0.236,630 -0.09,631 -0.174,632 -0.065,633 -0.111,634 -0.026,635 -0.089,636 -0.145,637 0.067,638 -0.111,639 -0.015,640 0.011,641 -0.045,642 -0.06,643 -0.251,644 -0.25,645 -0.302,646 -0.143,647 -0.309,648 0.073,649 0.073,650 0.228,651 0.167,652 0.014,653 0.212,654 0.079,655 -0.204,656 0.011,657 -0.166,658 0.014,659 -0.107,660 -0.2,661 0.095,662 -0.192,663 0.025,664 -0.271,665 -0.075,666 2.061,667 4.585,668 0.571,669 15.456,670 0.995,671 1.138,672 2.118,673 4.487,674 0.626,675 3.178,676 3.584,677 3.932,678 4.29,679 4.477,680 4.585,681 4.771,682 4.828,683 4.771,684 4.71,685 4.915,686 0.585,687 289.42,688 3.178,689 4.762,690 5.659,691 6.603,692 7.529,693 8.484,694 9.425,695 10.385,696 11.335,697 12.298,698 6.8,701 1,704 1,705 1,715 3,720 3,722 6,736 1,737 1,741 44,743 7,744 1,745 23,747 46,748 16,749 6,750 3,751 3,756 3,757 6,763 2,764 1,766 1,767 1,770 1,772 7,773 9,777 1,782 1,786 1,789 1,790 1,793 23,794 5,795 1,796 5,802 3,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 4,868 21,876 3,877 1,878 1,880 1,881 2,882 1,893 4.5,896 1,898 1,901 11.583,902 9.067,903 4.569,904 2.774,907 1.315,908 1.188,909 0.932,910 3.619,911 8.308,912 3.332,913 3.882,914 4.398,915 4.951,916 5.421,917 5.684,918 6.051,919 6.29,920 6.328,921 6.299,922 0.833,923 37,924 7.79,926 3.301,927 0.026,929 7.631,931 15.217,933 12.842,936 2.131,937 44.75,938 0.001,941 258.964,942 87.566,943 24.259,945 36.145,948 87.566,949 295.109,950 24.259,951 34.443,952 24.757,953 28.429,954 25.145,955 28.434,956 18.534,957 247.193,959 258.964,960 111.825,961 36.145,964 200.109,965 95,968 45.531,969 66.294,972 258.964,973 60.404,974 87.566,977 258.964,978 24.694,979 69.121,980 18.011,981 36.145,982 258.964,983 60.404,984 87.566,986 0.595,987 0.363,988 0.207,989 0.104,990 19,991 9,992 0.065,993 3,994 2,995 1.333,996 3.169,997 170.624,998 0.333,999 12,1000 92.239,1005 14.668,1006 5.181,1007 2.211,1009 60.404,1010 5.955,1015 3.128,1017 18.011,1018 406.935,1019 27,1024 11.585,1028 -0.394,1031 43.796,1032 50.066,1034 0.272,1035 0.599,1036 0.809,1037 0.896,1038 0.896,1039 0.896,1040 4.649,1041 1.019,1042 5.727,1043 3.06,1044 4.263,1045 4.564,1046 2.466,1047 6.706,1048 4.171,1049 5.87,1050 0.724,1051 7.401,1052 1.879,1053 4.205,1054 4.559,1055 1.905,1056 8.162,1057 4.094,1058 7.222,1059 -0.041,1060 9.195,1061 1.625,1062 6.057,1063 6.667,1064 3.531,1065 11.34,1066 5.901,1067 8.613,1068 -0.298,1069 11.065,1070 -0.099,1071 6.825,1072 7.43,1073 3.612,1074 13.666,1075 6.668,1076 10.042,1077 -0.548,1078 12.987,1079 -0.731,1080 8.262,1081 9.123,1082 4.913,1083 16.499,1084 8.076,1085 11.5,1086 -0.702,1087 14.948,1088 -0.905,1089 9.373,1090 10.226,1091 5.293,1092 19.111,1093 9.184,1094 12.981,1095 -0.909,1096 16.936,1097 -1.878,1098 10.702,1099 11.77,1100 6.388,1101 21.864,1102 10.493,1103 3.737,1104 -1,1105 18.947,1106 -2.701,1107 11.943,1108 13.037,1109 6.931,1110 24.56,1111 11.724,1112 2.689,1113 15.306,1114 20.974,1115 -2.804,1116 13.252,1117 14.52,1118 7.902,1119 27.294,1120 13.016,1121 2.46,1122 8.828,1123 23.013,1124 4.206,1125 14.541,1126 15.869,1127 8.539,1128 30.013,1129 14.288,1130 2.37,1131 8.458,1132 25.062,1133 3.318,1134 15.851,1135 17.326,1136 9.436,1137 32.743,1138 15.58,1139 2.017,1140 7.184,1141 27.119,1142 2.885,1143 17.157,1144 18.716,1145 10.13,1146 35.468,1147 16.867,1148 1.483,1149 5.444,1150 29.181,1151 2.601,1152 18.47,1153 20.162,1154 10.981,1155 38.197,1156 18.161,1157 1.135,1158 4.373,1159 31.247,1160 2.423,1161 19.783,1162 21.573,1163 11.71,1164 40.924,1165 19.454,1166 3857,1167 5856,1168 14.622,1169 27.54,1170 35.617,1171 36.564,1172 38.224,1173 35.293,1174 35.266,1175 40.842,1176 8.422,1177 112.313,1178 33.62,1179 5.797,1180 5.973,1181 7.778,1182 5.785,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 12.297,1189 1.549,1190 1.59,1191 1.662,1192 1.534,1193 1.533,1194 1.776,1195 0.366,1196 4.883,1197 1.462,1198 4.09,1199 4.128,1200 4.037,1201 3.994,1202 7.435,1203 3.999,1204 3.716,1205 3.759,1206 3.636,1207 3.565,1208 4.834,1209 3.57,1210 3.591,1211 3.665,1212 3.469,1213 3.362,1214 4.452,1215 3.372,1216 3.314,1217 3.399,1218 3.152,1219 3.079,1220 4.232,1221 3.086,1222 3.253,1223 3.345,1224 3.055,1225 3.042,1226 4.076,1227 3.031,1228 3.149,1229 3.195,1230 2.982,1231 2.855,1232 3.9,1233 2.891,1234 2.976,1235 3.093,1236 2.681,1237 2.761,1238 3.835,1239 2.725,1240 2.785,1241 2.858,1242 2.6,1243 2.644,1244 3.51,1245 2.623,1246 0.21,1247 0.173,1248 0.348,1249 0.205,1250 0.162,1251 4.832,1252 0.183,1253 3.973,1254 0.095,1255 8.006,1256 0.665,1257 4.714,1258 0.159,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.903,1265 1.884,1266 2.004,1267 1.996,1268 1.31,1269 1.996,1270 1.633,1271 1.578,1272 1.846,1273 1.837,1274 1.058,1275 1.837,1276 1.555,1277 1.477,1278 1.829,1279 1.82,1280 1.014,1281 1.826,1282 1.527,1283 1.444,1284 1.786,1285 1.745,1286 0.987,1287 1.768,1288 1.233,1289 1.151,1290 1.579,1291 1.509,1292 0.644,1293 1.532,1294 1.029,1295 0.987,1296 1.453,1297 1.368,1298 0.563,1299 1.354,1300 1.013,1301 0.899,1302 1.249,1303 1.291,1304 0.347,1305 1.341,1306 0.818,1307 0.743,1308 1.173,1309 1.046,1310 0.223,1311 1.097,1312 3.85,1314 5.231,1315 3.045,1316 6.815,1317 5.638,1318 8.502,1319 7.921,1320 10.253,1322 8.49,1328 2.777,1329 2.654,1330 5.353,1332 0.382,1333 4.725,1334 0.097,1340 25.762,1341 65.418,1342 143.995,1343 194.441,1344 215.195,1345 215.195,1346 215.195,1347 31.25,1348 6.993,1349 44.81,1350 44.81,1351 16,1352 12.782,1353 3,1354 2.322,1355 32.17,1356 61,1357 77,1358 0.274,1359 158.734,1360 277.4,1361 379.07,1362 8359,1364 15.198,1365 0.724,1366 0.626,1367 15.198,1368 13.142,1369 9.969,1370 0.433,1371 0.326,1372 7.377,1373 9.5,1374 7.057,1375 5.906,1376 9.969,1377 7.504,1378 9.486,1379 0.271,1380 0.178,1381 9.486,1382 6.231,1383 8.131,1384 0.163,1385 0.097,1386 8.131,1387 4.833,1388 7.415,1389 0.103,1390 0.054,1391 7.415,1392 3.906,1393 5.469,1394 0.063,1395 0.029,1396 5.469,1397 2.546,1398 0.413,1399 62.946,1400 0.262,1401 20.321,1402 0.798,1403 116,1404 303.094,1405 129.025,1406 288.091,1407 399.19,1408 270,1409 143,1410 302.529,1411 156.142,1412 305.637,1413 454.43,1414 285,1415 7.027}
{0 CHEMBL361869,1 1.483,2 12.258,3 2.776,4 7.706,5 123.759,6 7.223,7 0.471,8 4.194,9 4.301,10 3.774,11 3.755,12 5.225,13 3.702,14 4.773,15 4.944,16 4.169,17 4.193,18 5.702,19 4.116,20 5.08,21 5.261,22 4.321,23 4.423,24 6.039,25 4.313,26 5.304,27 5.542,28 4.286,29 4.47,30 6.256,31 4.321,32 5.264,33 5.509,34 4.249,35 4.417,36 6.18,37 4.262,38 5.152,39 5.377,40 4.101,41 4.376,42 6.092,43 4.202,44 5.084,45 5.333,46 3.963,47 4.25,48 6.025,49 4.069,50 4.87,51 5.091,52 3.863,53 4.057,54 5.866,55 3.923,56 0.033,57 0.82,58 14.149,59 6.438,60 12.13,61 8.04,62 0.268,63 1.407,64 28.152,65 10.827,66 25.808,67 13.607,68 0.371,69 1.859,70 39.752,71 15.49,72 42.634,73 19.635,74 0.597,75 2.187,76 51.83,77 18.829,78 84.798,79 24.547,80 0.592,81 2.081,82 52.742,83 18.412,84 73.356,85 23.487,86 0.393,87 1.93,88 48.699,89 17.607,90 62.217,91 21.975,92 0.501,93 1.757,94 43.345,95 16.018,96 73.529,97 20.809,98 0.246,99 1.413,100 34.778,101 12.741,102 47.268,103 15.978,104 30,105 49,106 0.24,107 0.56,108 0.754,109 0.828,110 0.852,111 0.857,112 3.472,113 1.029,114 -0.4,115 -0.54,116 -0.69,121 41,123 2,124 1,126 3,127 3,129 1,144 8,145 2,146 2,154 2,159 1,176 9,180 3,185 2,187 12,189 3,191 1,192 6,197 1,200 9,203 3,206 5,209 1,213 1,214 5,216 2,219 4,221 1,224 2,227 10,229 1,237 2,239 9,241 2,243 2,244 3,249 4,251 6,253 1,256 4,261 2,264 3,266 2,269 4,272 2,274 1,277 5,281 1608,282 20.894,283 20.894,284 20.894,285 20.894,286 20.894,287 18.966,288 23.394,289 12.009,290 21.548,291 16.621,292 16.621,293 16.621,294 16.621,295 16.621,296 13.535,297 30.396,298 5.522,299 17.535,300 4.448,301 2.463,302 1.263,303 0.804,304 0.66,305 0.627,306 4.164,311 1,312 1,313 819,314 3.606,317 69.527,318 200.831,319 113.853,321 133.325,325 2.025,326 31.385,329 1,330 1,331 1,332 0.9,333 0.5,334 1,335 1,336 0.91,337 66.5,338 380,339 4.575,340 3.771,341 7,342 4.236,343 3.311,344 4.504,345 1.277,346 11.919,347 3.103,348 4.333,349 3.658,350 6.611,351 4.103,352 3.151,353 3.614,354 1.26,355 10.491,356 2.975,357 4.168,358 3.246,359 6.351,360 3.903,361 2.927,362 3.529,363 0.86,364 9.72,365 2.836,366 3.867,367 2.774,368 5.938,369 3.5,370 2.57,371 3.223,372 0.86,373 8.323,374 2.406,375 3.785,376 2.627,377 5.484,378 3.394,379 2.404,380 3.113,381 0.245,382 6.819,383 2.346,384 3.347,385 2.552,386 5.293,387 3.078,388 2.111,389 2.471,391 6.656,392 2.024,393 3.178,394 2.215,395 4.717,396 2.698,397 1.771,398 2.467,400 5.118,401 1.628,402 2.874,403 1.664,404 4.436,405 2.473,406 1.509,407 2.028,409 4.08,410 1.445,411 2.681,412 1.586,413 3.943,414 2.439,415 1.442,416 1.678,418 3.079,419 1.437,420 2.5,421 1.535,422 3.818,423 2,424 1.136,425 1.5,427 2.841,428 1,429 2.399,430 1.427,431 3.715,432 1.992,433 1,434 1.376,436 2.275,437 0.96,438 2.264,439 1.002,440 3.342,441 1.882,442 0.888,443 1.127,445 2.136,446 0.857,447 1.554,448 1,449 3.247,450 1.422,451 0.463,452 0.473,454 1.098,455 0.44,456 1.501,457 0.709,458 3.164,459 1.211,460 0.364,461 0.395,463 0.493,464 0.305,465 1.485,466 0.575,467 2.887,468 1.122,469 0.241,470 0.311,472 0.458,473 0.209,474 15.067,475 0.486,476 0.838,477 0.027,478 36,479 1.161,480 16.5,481 0.532,482 19.5,483 0.629,484 32.292,485 1.042,486 34.433,487 0.564,488 27.908,489 0.9,490 6.997,491 0.226,492 7.923,493 0.256,494 0.144,495 0.027,496 0.299,501 0.839,502 1.264,503 0.807,504 1.053,505 0.735,506 1.005,507 1.185,508 0.847,509 0.888,510 0.772,511 0.752,512 0.807,513 0.884,514 1.175,515 1.024,516 1.139,517 0.962,518 1.112,519 0.893,520 1.029,521 0.936,522 1.008,523 1.087,524 1.015,525 1.023,526 0.933,527 0.988,528 0.974,529 1.167,530 0.935,531 0.951,532 1.141,533 1.329,534 1.266,535 1.362,536 1.14,537 0.631,538 1.05,539 1.058,540 1.106,541 0.961,542 1.051,543 1.033,544 1.164,545 1.147,546 1.21,547 1.154,548 1.078,549 7.5,550 0.203,551 4,552 2.854,553 2.376,554 1.039,555 0.976,556 0.5,557 0.481,558 0.205,559 12902,560 31038,561 2.057,562 49.2,564 24,567 1,568 1,569 2,570 2,572 1.736,573 1.908,574 3.592,575 -0.393,577 1,582 90.472,583 1.483,584 3.468,585 4.668,586 5.127,587 5.271,588 5.303,589 3.087,590 4.245,591 4.923,592 3.742,593 1739.99,594 8.6,595 24509.7,597 1,600 361.775,601 1.595,602 4.87,603 0.221,604 0.008,605 0.082,606 0.053,607 0.048,608 0.023,609 0.024,610 0.014,611 0.014,612 0.007,613 0.493,614 0.33,615 1,616 0.839,617 160.989,618 -0.024,619 -0.115,620 0.073,621 -0.005,622 -0.052,623 0.014,624 -0.152,625 0.271,626 0.078,627 0.23,628 -0.033,629 0.169,630 0.025,631 -0.115,632 -0.048,633 -0.11,634 -0.012,635 -0.113,636 0.061,637 -0.049,638 0.029,639 -0.042,640 0.06,641 -0.035,642 -0.013,643 0.041,644 0.065,645 0.034,646 -0.033,647 0.05,648 -0.076,649 -0.13,650 -0.162,651 -0.148,652 -0.126,653 -0.121,654 0.154,655 -0.079,656 -0.02,657 -0.077,658 0.103,659 -0.042,660 -0.03,661 -0.177,662 -0.079,663 -0.166,664 0.016,665 -0.081,666 1.947,667 6.392,668 0.71,669 32.689,670 0.997,671 1.119,672 -0.825,673 0.681,674 0.664,675 3.555,676 3.912,677 4.19,678 4.443,679 4.673,680 4.812,681 4.934,682 5.056,683 5.075,684 5.147,685 7.135,686 0.618,687 440.63,688 3.555,689 5.118,690 5.979,691 6.874,692 7.752,693 8.652,694 9.537,695 10.438,696 11.327,697 12.23,698 1.6,712 1,714 2,715 8,719 1,720 4,722 16,727 1,739 2,741 61,743 17,744 2,745 34,747 64,748 25,749 14,750 5,751 7,752 1,756 4,757 5,767 3,768 1,770 3,772 15,773 10,774 1,777 1,782 1,786 1,790 1,793 30,794 4,795 1,796 6,797 1,802 1,803 1,807 1,808 0.75,809 4,811 1,828 1,829 2,830 1,832 1,857 1,859 3,862 1,864 3,868 31,875 1,876 5,878 2,880 2,883 1,888 1,893 6.6,894 1,896 1,898 2,901 16.25,902 11.7,903 6.847,904 3.685,907 2.782,908 1.354,909 0.929,910 6.656,911 10.645,912 3.784,913 4.379,914 4.95,915 5.518,916 6.048,917 6.376,918 6.745,919 7.118,920 7.113,921 7.182,922 1,923 54,924 11.578,926 4.987,927 0.026,929 7.667,931 22.425,933 18.934,936 2.167,937 67.167,940 1,941 341.362,942 172.119,945 89.828,947 31.278,948 140.842,949 431.19,951 30.162,952 11.386,953 118.493,954 30.278,955 38.245,956 2.104,957 372.64,959 341.362,960 140.842,961 89.828,962 31.278,964 294.278,965 94.229,966 42.683,968 11.386,969 129.456,971 31.278,972 341.362,973 89.828,974 172.119,977 341.362,978 66.147,979 105.972,981 89.828,982 341.362,983 89.828,984 172.119,986 0.586,987 0.352,988 0.186,989 0.102,990 24,991 11,992 0.094,993 6,994 1,995 1.091,996 4.121,997 285.432,998 0.091,999 22,1000 149.58,1001 1,1005 22.253,1006 9.273,1007 4.789,1008 1.938,1009 89.828,1010 16.171,1014 1.458,1015 3.278,1017 42.683,1018 603.309,1019 43,1024 13.392,1028 0.041,1031 60.8,1032 68.276,1034 0.25,1035 0.585,1036 0.787,1037 0.865,1038 0.889,1039 0.894,1040 5.05,1041 1.509,1042 6.004,1043 5.118,1044 4.595,1045 5.066,1046 2.271,1047 6.868,1048 4.496,1049 6.267,1050 1.442,1051 7.604,1052 4.08,1053 4.369,1054 4.966,1055 0.931,1056 8.044,1057 4.197,1058 7.596,1059 1.136,1060 9.31,1061 3.079,1062 6.29,1063 7.268,1064 2.428,1065 11.063,1066 6.093,1067 8.959,1068 1,1069 11.077,1070 2.841,1071 6.868,1072 7.972,1073 1.381,1074 13.021,1075 6.584,1076 10.351,1077 0.888,1078 12.883,1079 2.275,1080 8.291,1081 9.788,1082 2.737,1083 15.617,1084 7.983,1085 11.764,1086 0.463,1087 14.714,1088 2.136,1089 9.204,1090 10.872,1091 1.783,1092 17.867,1093 8.809,1094 13.193,1095 0.364,1096 16.564,1097 1.098,1098 10.454,1099 12.496,1100 3.126,1101 20.345,1102 10.024,1103 3.311,1104 0.241,1105 18.428,1106 0.493,1107 11.511,1108 13.779,1109 2.192,1110 22.71,1111 11.001,1112 3.151,1113 11.919,1114 20.301,1115 0.458,1116 12.701,1117 15.323,1118 3.559,1119 25.159,1120 12.144,1121 2.927,1122 10.491,1123 22.183,1124 4.504,1125 13.819,1126 16.711,1127 2.615,1128 27.572,1129 13.189,1130 2.57,1131 9.72,1132 24.072,1133 3.614,1134 14.991,1135 18.223,1136 4.015,1137 30.017,1138 14.307,1139 2.404,1140 8.323,1141 25.966,1142 3.529,1143 16.137,1144 19.666,1145 3.05,1146 32.454,1147 15.384,1148 2.111,1149 6.819,1150 27.865,1151 3.223,1152 17.306,1153 21.168,1154 4.483,1155 34.904,1156 16.492,1157 1.771,1158 6.656,1159 29.768,1160 3.113,1161 18.466,1162 22.64,1163 3.495,1164 37.353,1165 17.585,1166 12338,1167 19315,1168 22.364,1169 40.512,1170 51.083,1171 52.626,1172 53.418,1173 50.537,1174 50.576,1175 63.62,1176 9.005,1177 151.01,1178 47.942,1179 5.526,1180 5.771,1181 6.801,1182 5.358,1183 5.311,1184 7.504,1185 2.555,1186 19.14,1187 5.103,1188 16.229,1189 1.502,1190 1.548,1191 1.571,1192 1.486,1193 1.488,1194 1.871,1195 0.265,1196 4.441,1197 1.41,1198 4.106,1199 4.117,1200 4.341,1201 4.114,1202 7.426,1203 4.066,1204 3.988,1205 4.029,1206 3.909,1207 3.884,1208 6.448,1209 3.881,1210 3.833,1211 3.87,1212 3.744,1213 3.726,1214 4.968,1215 3.725,1216 3.595,1217 3.628,1218 3.606,1219 3.443,1220 4.756,1221 3.446,1222 3.434,1223 3.469,1224 3.394,1225 3.261,1226 4.527,1227 3.257,1228 3.299,1229 3.369,1230 3.129,1231 3.134,1232 4.496,1233 3.115,1234 3.249,1235 3.314,1236 3.076,1237 2.967,1238 4.312,1239 2.97,1240 3.084,1241 3.152,1242 2.919,1243 2.882,1244 3.83,1245 2.875,1246 0.135,1247 0.111,1248 0.206,1249 0.125,1250 0.097,1251 4.575,1252 0.132,1253 3.771,1254 0.038,1255 7,1256 0.351,1257 4.236,1258 0.091,1259 3.311,1260 4.504,1261 1.277,1262 11.919,1263 3.103,1264 1.939,1265 1.903,1266 2.084,1267 2.086,1268 1.402,1269 2.089,1270 1.909,1271 1.901,1272 1.971,1273 1.988,1274 1.32,1275 1.984,1276 1.776,1277 1.752,1278 1.934,1279 1.916,1280 1.14,1281 1.927,1282 1.724,1283 1.656,1284 1.926,1285 1.899,1286 1.085,1287 1.914,1288 1.425,1289 1.412,1290 1.586,1291 1.56,1292 0.753,1293 1.572,1294 1.223,1295 1.176,1296 1.573,1297 1.518,1298 0.682,1299 1.535,1300 1.187,1301 1.11,1302 1.527,1303 1.465,1304 0.581,1305 1.499,1306 1.154,1307 1.075,1308 1.423,1309 1.367,1310 0.573,1311 1.419,1312 4.234,1314 5.58,1315 2.398,1316 7.112,1317 4.844,1318 8.725,1319 7.034,1320 10.379,1322 5.44,1327 10.852,1328 3.961,1330 10.779,1332 -0.981,1335 0.839,1340 37.706,1341 90.472,1342 211.536,1343 284.755,1344 312.755,1345 321.51,1346 323.51,1347 68.099,1348 7.863,1349 55.76,1350 84,1351 24,1352 12.753,1353 4.17,1354 3.322,1355 49.503,1356 132,1357 134,1358 0.183,1359 232.96,1360 403.79,1361 560.183,1362 28938,1364 22.01,1365 0.71,1366 0.62,1367 22.363,1368 19.206,1369 14.92,1370 0.439,1371 0.343,1372 10.745,1373 13.896,1374 10.339,1375 8.587,1376 15.328,1377 11.657,1378 13.656,1379 0.279,1380 0.205,1381 14.298,1382 10.028,1383 11.745,1384 0.181,1385 0.119,1386 12.567,1387 7.755,1388 9.566,1389 0.114,1390 0.069,1391 10.458,1392 5.837,1393 7.717,1394 0.073,1395 0.041,1396 8.6,1397 4.346,1398 0.288,1399 97.768,1400 0.211,1401 29.099,1402 0.498,1403 166,1404 438.55,1405 204.03,1406 436.586,1407 592.1,1408 410,1409 197,1410 407.715,1411 235.178,1412 432.912,1413 632.86,1414 404,1415 7.369}
{0 CHEMBL362049,1 1.484,2 9.76,3 4.144,4 17.169,5 96.24,6 7.201,7 0.429,8 3.957,9 4.068,10 3.507,11 3.485,12 5.009,13 3.469,14 4.529,15 4.692,16 3.929,17 3.914,18 5.581,19 3.883,20 4.762,21 4.931,22 3.99,23 4.083,24 5.749,25 4.022,26 4.921,27 5.15,28 3.851,29 4.065,30 5.871,31 3.963,32 4.83,33 5.067,34 3.695,35 3.881,36 5.847,37 3.77,38 4.672,39 4.939,40 3.448,41 3.586,42 5.651,43 3.498,44 4.177,45 4.352,46 3.418,47 3.45,48 5.293,49 3.407,50 4.269,51 4.453,52 3.378,53 3.514,54 5.467,55 3.44,56 0.011,57 0.661,58 10.115,59 4.499,60 7.381,61 5.813,62 0.398,63 1.094,64 19.952,65 7.582,66 34.153,67 10.132,68 0.165,69 1.361,70 25.021,71 9.838,72 26.249,73 13.023,74 0.348,75 1.504,76 31.614,77 10.816,78 42.451,79 14.974,80 0.299,81 1.274,82 29.427,83 10.458,84 50,85 14.238,86 0.604,87 0.988,88 27.381,89 8.218,90 63.12,91 11.047,92 0.241,93 0.722,94 14.513,95 5.267,96 24.054,97 6.797,98 0.355,99 0.806,100 15.985,101 5.437,102 45.916,103 7.309,104 17,105 42,106 0.254,107 0.6,108 0.799,109 0.871,110 0.886,111 0.886,112 3.267,113 0.913,114 -4.31,115 -4.24,116 -4.01,121 42.6,122 2,123 1,125 1,126 1,127 1,130 1,144 7,145 2,146 3,161 1,176 10,179 2,180 7,183 2,185 2,187 11,192 8,197 3,200 9,206 9,211 3,214 4,218 1,219 11,224 2,227 2,231 1,232 3,237 1,239 4,243 1,244 2,247 1,249 2,251 10,255 1,259 1,264 10,269 2,277 9,281 831,282 16.687,283 16.687,284 16.687,285 16.687,286 16.687,287 15.067,288 23.468,289 9.523,290 17.069,291 13.783,292 13.783,293 13.783,294 13.783,295 13.783,296 11.322,297 31.149,298 4.474,299 14.398,300 4.07,301 2.055,302 0.892,303 0.474,304 0.389,305 0.389,306 3.96,311 1,312 1,313 540,314 3.391,317 96.332,318 133.336,320 77.564,321 81.769,324 114.395,325 1.488,326 20.74,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 54,338 244,339 4.809,340 3.969,341 7.956,342 4.681,343 3.705,344 4.198,345 2.186,346 15.054,347 3.62,348 4.189,349 3.679,350 6.181,351 3.813,352 2.841,353 3.788,354 1.138,355 8.787,356 2.765,357 3.941,358 2.91,359 6.055,360 3.592,361 2.632,362 3.284,363 0.643,364 8.694,365 2.525,366 3.644,367 2.75,368 5.941,369 3.373,370 2.436,371 2.849,372 0.366,373 7.787,374 2.264,375 3.416,376 2.719,377 5.406,378 3.1,379 2.153,380 2.586,382 6.797,383 2.022,384 3.115,385 2.38,386 4.785,387 2.795,388 1.845,389 2.219,391 5.279,392 1.734,393 2.874,394 1.67,395 4.202,396 2.414,397 1.414,398 2.037,400 3.565,401 1.414,402 2.804,403 1.616,404 4.081,405 2.367,406 1.38,407 1.912,409 3.026,410 1.356,411 2.519,412 1.472,413 3.703,414 2.164,415 1.213,416 1.525,418 2.959,419 1.151,420 2.201,421 1.15,422 3.649,423 2.013,424 1.061,425 1.189,427 2.634,428 0.999,429 1.691,430 0.985,431 3.595,432 1.547,433 0.626,434 0.654,436 1.636,437 0.572,438 1.412,439 0.739,440 3.031,441 1.123,442 0.173,443 0.203,445 0.423,446 0.163,447 1.201,448 0.479,449 2.97,450 0.828,451 -0.131,452 -0.162,454 -0.32,455 -0.124,456 0.787,457 -0.039,458 2.512,459 0.41,460 -0.572,461 -0.627,463 -1.384,464 -0.545,465 0.696,466 -0.246,467 2.385,468 0.346,469 -0.616,470 -0.71,472 -1.555,473 -0.588,474 11.8,475 0.472,476 0.771,477 0.031,478 31.5,479 1.26,480 15,481 0.6,482 16.5,483 0.66,484 21.454,485 0.858,486 27.2,487 0.579,488 22.481,489 0.899,490 6.081,491 0.243,492 5.906,493 0.236,494 0.155,495 0.042,496 0.331,501 0.805,502 1.327,503 0.793,504 1.14,505 0.652,506 0.987,507 0.795,508 0.909,509 0.785,510 0.83,511 0.502,512 0.807,513 1.068,514 1.326,515 1.054,516 1.222,517 0.773,518 1.152,519 1.17,520 1.039,521 1.138,522 1.061,523 0.823,524 1.075,525 1.121,526 1.125,527 1.034,528 1.188,529 1.308,530 1.116,531 1.738,532 0.587,533 0.931,534 0.554,535 1.905,536 0.614,537 1.37,538 0.983,539 1.009,540 0.937,541 1.62,542 0.93,543 1.242,544 1.034,545 1.263,546 1.027,547 2.332,548 1.119,549 6,550 0.163,551 4,552 3.174,553 1.383,554 0.733,555 0.516,556 0.291,557 0.237,558 0.242,559 7345,560 17157,561 2.095,562 46.8,563 6,564 12,565 1,567 1,569 2,572 1.678,573 1.935,574 3.234,575 -0.356,577 1,582 69.765,583 1.484,584 3.499,585 4.663,586 5.081,587 5.166,588 5.166,589 2.628,590 4.404,591 4.62,592 3.426,593 1027.9,594 7.974,595 12383,597 1,599 1,600 261.066,601 1.643,602 4.557,603 0.214,604 0.008,605 0.095,606 0.074,607 0.04,608 0.026,609 0.022,610 0.012,611 0.011,612 0.013,613 0.515,614 0.5,615 1,616 0.609,617 120.136,618 -0.021,619 -0.155,620 0.072,621 -0.068,622 -0.066,623 0.004,624 0.243,625 0.195,626 0.158,627 0.178,628 0.2,629 0.155,630 -0.098,631 -0.265,632 -0.123,633 -0.205,634 -0.03,635 -0.177,636 -0.145,637 -0.025,638 -0.153,639 -0.109,640 -0.004,641 -0.121,642 0.007,643 -0.206,644 -0.027,645 -0.22,646 0.009,647 -0.143,648 -0.108,649 0.251,650 0.181,651 0.361,652 -0.153,653 0.323,654 -0.05,655 0.048,656 -0.018,657 0.05,658 -0.087,659 0.015,660 -0.012,661 0.046,662 -0.282,663 -0.069,664 -0.181,665 -0.193,666 2.148,667 5.238,668 0.72,669 19.469,670 1,671 1.123,672 3.079,673 9.478,674 0.659,675 3.367,676 3.761,677 4.094,678 4.407,679 4.595,680 4.644,681 4.804,682 4.868,683 4.883,684 4.956,685 6,686 0.627,687 338.44,688 3.367,689 4.949,690 5.838,691 6.76,692 7.671,693 8.601,694 9.523,695 10.458,696 11.389,697 12.328,698 4.3,704 1,705 1,715 7,720 5,722 12,736 1,737 1,741 47,743 13,744 2,745 28,747 50,748 20,749 12,750 5,751 7,756 4,757 7,763 2,764 1,766 1,767 1,770 1,772 13,773 7,777 1,782 1,786 1,790 1,793 22,794 5,795 1,796 5,802 2,808 0.5,809 3,815 1,828 2,829 2,831 1,832 1,835 1,858 1,859 2,864 3,868 25,876 2,877 1,878 2,880 1,881 1,882 1,893 6.4,896 1,897 1,898 1,901 12.917,902 9.367,903 5.319,904 2.796,907 2.193,908 1.291,909 0.972,910 3.971,911 9.73,912 3.584,913 4.174,914 4.71,915 5.254,916 5.733,917 5.86,918 6.18,919 6.433,920 6.543,921 6.745,922 1,923 43,924 9.271,926 4.018,927 0.026,929 7.663,931 17.899,933 15.191,936 2.163,937 54.083,940 1,941 247.193,942 123.398,943 21.135,945 47.145,948 123.398,949 294.338,950 21.135,951 26.047,952 25.138,953 66.334,954 36.145,955 31.252,956 18.534,957 235.422,959 247.193,960 144.533,961 47.145,964 223.651,965 59.687,966 11,968 42.788,969 101.745,972 247.193,973 68.28,974 123.398,977 247.193,978 31.017,979 95.505,980 18.011,981 47.145,982 247.193,983 68.28,984 123.398,986 0.599,987 0.365,988 0.201,989 0.103,990 23,991 10,992 0.06,993 3,994 2,995 1.222,996 3.666,997 216.826,998 0.222,999 18,1000 112.096,1005 16.431,1006 6.042,1007 2.697,1009 68.28,1010 13.421,1015 4.614,1017 18.011,1018 438.871,1019 35,1024 12.238,1028 -0.482,1031 47.022,1032 52.777,1034 0.267,1035 0.63,1036 0.839,1037 0.915,1038 0.93,1039 0.93,1040 4.875,1041 1.38,1042 5.883,1043 3.565,1044 4.443,1045 4.86,1046 2.539,1047 6.819,1048 4.362,1049 6.099,1050 1.213,1051 7.529,1052 3.026,1053 4.29,1054 4.758,1055 1.847,1056 8.189,1057 4.197,1058 7.44,1059 1.061,1060 9.295,1061 2.959,1062 6.192,1063 7.003,1064 3.585,1065 11.345,1066 6.051,1067 8.818,1068 0.626,1069 11.139,1070 2.634,1071 6.889,1072 7.671,1073 3.604,1074 13.619,1075 6.742,1076 10.234,1077 0.173,1078 13.037,1079 1.636,1080 8.339,1081 9.456,1082 4.933,1083 16.427,1084 8.16,1085 11.675,1086 -0.131,1087 14.975,1088 0.423,1089 9.398,1090 10.48,1091 5.293,1092 19.009,1093 9.21,1094 13.139,1095 -0.572,1096 16.944,1097 -0.32,1098 10.72,1099 12.075,1100 6.395,1101 21.741,1102 10.508,1103 3.705,1104 -0.616,1105 18.936,1106 -1.384,1107 11.927,1108 13.28,1109 6.931,1110 24.415,1111 11.701,1112 2.841,1113 15.054,1114 20.947,1115 -1.555,1116 13.222,1117 14.786,1118 7.904,1119 27.131,1120 12.974,1121 2.632,1122 8.787,1123 22.972,1124 4.198,1125 14.487,1126 16.087,1127 8.54,1128 29.832,1129 14.221,1130 2.436,1131 8.694,1132 25.008,1133 3.788,1134 15.782,1135 17.548,1136 9.436,1137 32.544,1138 15.494,1139 2.153,1140 7.787,1141 27.054,1142 3.284,1143 17.071,1144 18.902,1145 10.13,1146 35.252,1147 16.762,1148 1.845,1149 6.797,1150 29.106,1151 2.849,1152 18.371,1153 20.343,1154 10.982,1155 37.964,1156 18.04,1157 1.414,1158 5.279,1159 31.163,1160 2.586,1161 19.671,1162 21.727,1163 11.71,1164 40.675,1165 19.318,1166 6937,1167 10719,1168 18.493,1169 30.989,1170 43.231,1171 44.492,1172 45.164,1173 42.907,1174 42.956,1175 52.889,1176 8.666,1177 133.279,1178 41.167,1179 5.773,1180 5.969,1181 7.644,1182 5.775,1183 5.705,1184 7.198,1185 3.889,1186 23.395,1187 5.62,1188 12.369,1189 1.544,1190 1.589,1191 1.613,1192 1.532,1193 1.534,1194 1.889,1195 0.31,1196 4.76,1197 1.47,1198 4.078,1199 4.106,1200 4.028,1201 3.983,1202 7.435,1203 3.989,1204 3.926,1205 3.958,1206 3.863,1207 3.855,1208 4.869,1209 3.851,1210 3.663,1211 3.688,1212 3.582,1213 3.521,1214 4.751,1215 3.526,1216 3.388,1217 3.431,1218 3.323,1219 3.11,1220 4.595,1221 3.151,1222 3.262,1223 3.337,1224 3.101,1225 3.033,1226 4.198,1227 3.032,1228 3.169,1229 3.256,1230 2.963,1231 2.991,1232 3.939,1233 2.99,1234 3.108,1235 3.198,1236 2.888,1237 2.901,1238 3.897,1239 2.883,1240 2.84,1241 2.895,1242 2.708,1243 2.684,1244 3.869,1245 2.679,1246 0.172,1247 0.142,1248 0.284,1249 0.167,1250 0.132,1251 4.809,1252 0.15,1253 3.969,1254 0.078,1255 7.956,1256 0.538,1257 4.681,1258 0.129,1259 3.705,1260 4.198,1261 2.186,1262 15.054,1263 3.62,1264 1.919,1265 1.894,1266 2.036,1267 2.022,1268 1.31,1269 2.025,1270 1.897,1271 1.873,1272 2.002,1273 1.978,1274 1.135,1275 1.986,1276 1.623,1277 1.571,1278 1.829,1279 1.799,1280 1.031,1281 1.811,1282 1.392,1283 1.335,1284 1.659,1285 1.668,1286 0.858,1287 1.662,1288 1.218,1289 1.18,1290 1.553,1291 1.531,1292 0.631,1293 1.499,1294 1.202,1295 1.125,1296 1.538,1297 1.418,1298 0.604,1299 1.469,1300 1.134,1301 1.054,1302 1.312,1303 1.416,1304 0.365,1305 1.428,1306 0.842,1307 0.776,1308 1.209,1309 1.11,1310 0.27,1311 1.153,1312 4.043,1314 5.416,1315 3.045,1316 6.987,1317 5.587,1318 8.655,1319 7.84,1320 10.378,1322 6.206,1328 1.72,1329 2.795,1330 11.412,1332 0.054,1333 2.166,1334 -0.06,1340 29.455,1341 69.765,1342 164.46,1343 219.15,1344 238.801,1345 242.801,1346 242.801,1347 37.594,1348 7.537,1349 50.8,1350 50.8,1351 22,1352 12.826,1353 3.807,1354 3,1355 36.085,1356 91,1357 83,1358 0.196,1359 178.129,1360 313.21,1361 426.395,1362 19056,1364 17.604,1365 0.704,1366 0.588,1367 17.604,1368 14.705,1369 11.987,1370 0.428,1371 0.304,1372 8.398,1373 11.512,1374 8.092,1375 6.717,1376 11.987,1377 8.523,1378 11.411,1379 0.272,1380 0.167,1381 11.411,1382 7.01,1383 9.977,1384 0.169,1385 0.091,1386 9.977,1387 5.35,1388 8.648,1389 0.107,1390 0.048,1391 8.648,1392 3.923,1393 6.716,1394 0.069,1395 0.026,1396 6.716,1397 2.526,1398 0.307,1399 75.254,1400 0.233,1401 24.135,1402 0.54,1403 140,1404 385.185,1405 154.875,1406 365.779,1407 507.77,1408 344,1409 171,1410 382.525,1411 185.963,1412 386.307,1413 573.59,1414 362,1415 7.886}
{0 CHEMBL362350,1 1.259,2 11.76,3 2.839,4 8.058,5 102.331,6 6.52,7 0.429,8 4.004,9 4.14,10 3.483,11 3.585,12 4.951,13 3.526,14 4.574,15 4.77,16 3.809,17 4.002,18 5.42,19 3.913,20 4.873,21 5.12,22 3.805,23 4.155,24 5.618,25 4.011,26 4.962,27 5.247,28 3.648,29 4.116,30 5.633,31 3.931,32 4.872,33 5.168,34 3.524,35 4.015,36 5.528,37 3.824,38 4.774,39 5.057,40 3.483,41 3.957,42 5.448,43 3.773,44 4.717,45 5.003,46 3.41,47 3.887,48 5.382,49 3.7,50 4.595,51 4.878,52 3.251,53 3.763,54 5.279,55 3.564,56 0.083,57 0.74,58 11.941,59 4.945,60 9.623,61 7.072,62 0.147,63 1.248,64 21.692,65 8.127,66 16.206,67 12.015,68 0.191,69 1.567,70 29.466,71 11.355,72 21.819,73 16.74,74 0.223,75 1.633,76 32.496,77 12.248,78 24.225,79 18.219,80 0.201,81 1.464,82 29.679,83 11.392,84 23.218,85 16.869,86 0.173,87 1.346,88 26.794,89 10.448,90 20.739,91 15.397,92 0.193,93 1.269,94 25.354,95 9.851,96 19.295,97 14.49,98 0.157,99 1.115,100 22.322,101 8.956,102 17.389,103 13.076,104 2,105 38,106 0.211,107 0.518,108 0.704,109 0.802,110 0.834,111 0.834,112 3.266,113 1.009,114 -5.06,115 -4.96,116 -4.64,121 43.1,123 4,124 1,127 3,144 9,145 2,146 1,156 1,159 1,171 1,176 14,180 5,187 15,189 2,192 6,200 9,203 3,206 6,214 6,216 2,219 4,227 11,229 1,239 12,241 2,243 1,244 1,251 12,256 1,258 1,264 7,269 3,277 4,281 888,282 17.361,283 17.361,284 17.361,285 17.361,286 17.361,287 15.622,288 20.974,289 10.482,290 17.557,291 13.865,292 13.865,293 13.865,294 13.865,295 13.865,296 11.25,297 28.941,298 5.03,299 14.191,300 4.413,301 2.587,302 1.483,303 0.894,304 0.706,305 0.706,306 3.971,310 1,311 1,312 1,313 653,314 2.55,317 57.51,318 238.812,321 107.669,325 1.968,326 8.936,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 51.5,338 294,339 4.536,340 3.449,341 6.718,342 4.147,343 3.174,344 4.162,345 0.916,346 10.907,347 3.088,348 3.941,349 3.018,350 5.619,351 3.689,352 2.726,353 3.457,354 0.782,355 7.791,356 2.633,357 3.621,358 2.617,359 5.474,360 3.474,361 2.476,362 2.762,363 0.6,364 7.02,365 2.47,366 3.453,367 2.502,368 5.314,369 3.114,370 2.155,371 2.628,372 0.172,373 6.581,374 2.063,375 3.362,376 2.201,377 4.955,378 2.972,379 2.013,380 2.577,382 5.851,383 1.922,384 3.152,385 2.073,386 4.772,387 2.84,388 1.861,389 2.225,391 5.052,392 1.818,393 2.823,394 1.518,395 3.663,396 2.417,397 1.422,398 1.923,400 3.046,401 1.414,402 2.717,403 1.305,404 3.59,405 2.228,406 1.235,407 1.776,409 2.826,410 1.225,411 2.5,412 1.137,413 3.579,414 2.013,415 1.021,416 1.5,418 2.506,419 1.012,420 2.478,421 1.077,422 3.414,423 2,424 1,425 1.411,427 2.275,428 1,429 2,430 1,431 3.247,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.807,439 0.809,440 3.149,441 1.572,442 0.594,443 0.682,445 1.415,446 0.58,447 1.238,448 0.337,449 2.792,450 1.044,451 0.072,452 0.079,454 0.18,455 0.069,456 1.007,457 -0.083,458 2.415,459 0.531,460 -0.455,461 -0.514,463 -1.094,464 -0.448,465 0.744,466 -0.293,467 2.228,468 0.383,469 -0.573,470 -0.886,472 -1.349,473 -0.546,474 12.2,475 0.488,476 0.465,477 0.019,478 30.5,479 1.22,480 15,481 0.6,482 15.5,483 0.62,484 21.258,485 0.85,486 26.5,487 0.52,488 18.909,489 0.756,490 5.731,491 0.229,492 6.562,493 0.262,494 0.041,496 0.27,501 0.777,502 1.249,503 0.906,504 1.095,505 0.881,506 1.024,507 1.401,508 1.176,509 1.049,510 1.035,511 0.756,512 1.02,513 1.135,514 1.107,515 1.071,516 1.075,517 0.848,518 1.069,519 1.125,520 1.031,521 1.055,522 1.029,523 0.867,524 1.035,525 1.018,526 0.898,527 0.976,528 0.931,529 1.046,530 0.947,531 0.986,532 0.974,533 1.022,534 1.007,535 1.166,536 1.015,537 0.949,538 0.911,539 1.018,540 0.982,541 1.023,542 1.001,543 0.748,544 1.015,545 1.045,546 1.093,547 1.077,548 1.091,549 4,550 0.065,551 2.222,552 1.576,553 0.836,554 0.393,555 0.412,556 0.267,557 0.095,558 0.128,559 8603,560 16487,561 2.179,562 51,563 3,564 15,566 2,568 2,569 4,572 1.672,573 2.113,574 3.498,575 -0.869,576 1,577 1,582 64.22,583 1.259,584 3.085,585 4.189,586 4.778,587 4.967,588 4.967,589 2.904,590 4.134,591 4.617,592 3.686,593 1105.78,594 7.94,595 14045.1,597 1,599 1,600 289.294,601 1.078,602 4.606,603 0.143,604 0.005,605 0.058,606 0.044,607 0.029,608 0.015,609 0.016,610 0.012,611 0.005,612 0.009,613 0.335,614 0.5,615 1,616 0.372,617 123.345,618 0.282,619 -0.076,620 0.087,621 -0.031,622 0.112,623 0.006,624 -0.103,625 -0.052,626 -0.043,627 -0.035,628 0.108,629 -0.035,630 -0.081,631 -0.086,632 -0.086,633 -0.087,634 0.042,635 -0.087,636 -0.077,637 -0.064,638 -0.071,639 -0.067,640 0.024,641 -0.068,642 -0.061,643 0.044,644 0.002,645 0.035,646 -0.091,647 0.025,648 -0.064,649 -0.018,650 -0.047,651 -0.03,652 -0.202,653 -0.036,654 0.012,655 0.045,656 -0.04,657 -0.011,658 -0.106,659 -0.026,660 0.078,661 -0.074,662 -0.078,663 -0.109,664 -0.138,665 -0.106,666 0.532,667 1.64,668 0.84,669 23.821,670 0.98,671 1.123,672 3.828,673 14.657,674 0.662,675 3.367,676 3.664,677 3.932,678 4.19,679 4.382,680 4.317,681 4.431,682 4.543,683 4.533,684 4.605,685 6.956,686 0.61,687 332.51,688 3.367,689 4.89,690 5.733,691 6.597,692 7.455,693 8.324,694 9.189,695 10.061,696 10.93,697 11.805,698 5.9,701 1,707 1,712 1,715 9,720 3,722 12,741 51,743 14,744 2,745 28,747 54,748 22,749 12,750 3,751 9,752 2,756 4,757 5,767 2,768 1,770 4,772 14,773 8,774 1,777 2,778 1,785 1,786 1,789 1,790 1,793 26,794 2,796 3,802 3,803 1,808 0.75,828 1,829 3,832 1,855 1,859 3,868 25,876 7,880 1,881 1,901 11.833,902 8.983,903 5.5,904 3.324,907 2.392,908 1.323,909 1.001,910 4.867,911 9.79,912 3.611,913 4.127,914 4.659,915 5.173,916 5.629,917 5.608,918 5.897,919 6.098,920 6.069,921 6.004,922 0.875,923 36,924 9.259,926 3.883,927 0.026,929 7.36,931 18.613,933 15.821,936 1.86,937 46.5,938 0.001,940 1,941 306.049,942 128.964,943 21.564,948 128.964,949 306.049,950 21.564,952 18.232,953 85.286,954 41.637,955 28.915,957 282.506,959 306.049,960 150.528,964 260.741,965 47.084,968 36.243,969 97.171,970 15.338,972 306.049,973 21.564,974 128.964,977 306.049,978 28.34,979 90.187,981 32.001,982 306.049,983 21.564,984 128.964,986 0.573,987 0.334,988 0.185,989 0.101,990 19,991 7,992 0.093,993 5,994 1,995 1.095,996 3.94,997 201.315,998 0.095,999 21,1000 108.096,1005 16.381,1006 7.428,1007 3.783,1009 19.787,1010 19.226,1015 3.822,1018 456.577,1019 36,1020 4.013,1027 4.64,1028 1.206,1031 49.967,1032 57.27,1034 0.222,1035 0.544,1036 0.739,1037 0.842,1038 0.876,1039 0.876,1040 4.836,1041 1.235,1042 5.687,1043 3.046,1044 4.344,1045 4.812,1046 1.492,1047 6.457,1048 4.297,1049 5.995,1050 1.021,1051 7.212,1052 2.826,1053 3.761,1054 4.35,1055 0.325,1056 7.261,1057 3.664,1058 7.268,1059 1,1060 8.837,1061 2.506,1062 5.889,1063 6.867,1064 1.087,1065 10.372,1066 5.79,1067 8.575,1068 1,1069 10.526,1070 2.275,1071 6.176,1072 7.282,1073 0.393,1074 12.092,1075 6.027,1076 9.919,1077 0.594,1078 12.258,1079 2.136,1080 7.726,1081 9.245,1082 0.813,1083 14.704,1084 7.573,1085 11.291,1086 0.072,1087 14.022,1088 1.415,1089 8.444,1090 10.121,1091 0.384,1092 16.821,1093 8.246,1094 12.687,1095 -0.455,1096 15.81,1097 0.18,1098 9.746,1099 11.819,1100 0.622,1101 19.275,1102 9.536,1103 3.174,1104 -0.573,1105 17.617,1106 -1.094,1107 10.682,1108 12.947,1109 0.351,1110 21.557,1111 10.432,1112 2.726,1113 10.907,1114 19.44,1115 -1.349,1116 11.879,1117 14.509,1118 0.486,1119 23.964,1120 11.611,1121 2.476,1122 7.791,1123 21.277,1124 4.162,1125 12.924,1126 15.774,1127 0.312,1128 26.311,1129 12.619,1130 2.155,1131 7.02,1132 23.125,1133 3.457,1134 14.081,1135 17.266,1136 0.386,1137 28.704,1138 13.754,1139 2.013,1140 6.581,1141 24.983,1142 2.762,1143 15.177,1144 18.604,1145 0.273,1146 31.076,1147 14.818,1148 1.861,1149 5.851,1150 26.848,1151 2.628,1152 16.322,1153 20.062,1154 0.312,1155 33.465,1156 15.937,1157 1.422,1158 5.052,1159 28.72,1160 2.577,1161 17.444,1162 21.439,1163 0.236,1164 35.848,1165 17.029,1166 7960,1167 11101,1168 19.474,1169 33.773,1170 41.919,1171 41.669,1172 41.997,1173 41.543,1174 41.497,1175 52.365,1176 4.942,1177 115.168,1178 40.555,1179 5.536,1180 5.449,1181 6.519,1182 5.182,1183 5.174,1184 7.162,1185 1.699,1186 17.811,1187 5.088,1188 6.445,1189 1.497,1190 1.488,1191 1.5,1192 1.484,1193 1.482,1194 1.87,1195 0.177,1196 4.113,1197 1.448,1198 4.053,1199 4.097,1200 4.006,1201 3.949,1202 5.043,1203 3.955,1204 3.943,1205 3.988,1206 3.861,1207 3.861,1208 4.755,1209 3.856,1210 3.816,1211 3.864,1212 3.7,1213 3.714,1214 4.527,1215 3.703,1216 3.501,1217 3.566,1218 3.391,1219 3.349,1220 4.326,1221 3.349,1222 3.368,1223 3.451,1224 3.235,1225 3.156,1226 4.154,1227 3.167,1228 3.152,1229 3.228,1230 3,1231 3.001,1232 3.829,1233 2.991,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.674,1239 2.91,1240 2.909,1241 2.981,1242 2.753,1243 2.781,1244 3.592,1245 2.766,1246 0.162,1247 0.123,1248 0.24,1249 0.148,1250 0.113,1251 4.536,1252 0.149,1253 3.449,1254 0.033,1255 6.718,1256 0.39,1257 4.147,1258 0.11,1259 3.174,1260 4.162,1261 0.916,1262 10.907,1263 3.088,1264 1.937,1265 1.899,1266 2.104,1267 2.068,1268 1.486,1269 2.084,1270 1.896,1271 1.869,1272 2.021,1273 1.977,1274 1.18,1275 1.991,1276 1.831,1277 1.783,1278 1.984,1279 1.949,1280 1.113,1281 1.964,1282 1.546,1283 1.476,1284 1.753,1285 1.782,1286 0.984,1287 1.77,1288 1.326,1289 1.244,1290 1.553,1291 1.572,1292 0.825,1293 1.581,1294 1.17,1295 1.101,1296 1.513,1297 1.376,1298 0.694,1299 1.429,1300 1.153,1301 1.064,1302 1.447,1303 1.364,1304 0.451,1305 1.398,1306 0.937,1307 0.874,1308 1.21,1309 1.119,1310 0.352,1311 1.154,1312 4.043,1314 5.342,1315 2.398,1316 6.838,1317 4.844,1318 8.418,1319 7.018,1320 10.041,1328 8.413,1332 0.82,1333 2.589,1340 31.122,1341 64.22,1342 157.352,1343 213.645,1344 243.684,1345 253.294,1346 253.294,1347 29.914,1348 7.398,1349 20.01,1350 20.01,1351 23,1352 12.346,1353 3.907,1354 3.17,1355 36.282,1356 106,1357 96,1358 0.166,1359 190.656,1360 331.12,1361 456.96,1362 17824,1364 17.062,1365 0.682,1366 0.593,1367 17.062,1368 14.825,1369 12.293,1370 0.439,1371 0.336,1372 9.345,1373 12.023,1374 9.137,1375 7.573,1376 12.293,1377 9.419,1378 10.789,1379 0.284,1380 0.192,1381 10.789,1382 7.295,1383 9.189,1384 0.184,1385 0.111,1386 9.189,1387 5.564,1388 7.739,1389 0.119,1390 0.063,1391 7.739,1392 4.076,1393 6.347,1394 0.08,1395 0.038,1396 6.347,1397 3.018,1398 0.269,1399 75.437,1400 0.227,1401 24.867,1402 0.432,1403 132,1404 261.623,1405 138.217,1406 265.469,1407 378.86,1408 252,1409 154,1410 291.127,1411 161.771,1412 298.843,1413 435.51,1414 283,1415 6.47}
{0 CHEMBL362444,1 1.558,2 7.316,3 2.081,4 4.33,5 71.421,6 7.09,7 0.286,8 3.727,9 3.841,10 3.259,11 3.183,12 4.768,13 3.18,14 4.321,15 4.499,16 3.686,17 3.621,18 5.374,19 3.604,20 4.524,21 4.693,22 3.744,23 3.804,24 5.516,25 3.753,26 4.685,27 4.907,28 3.564,29 3.8,30 5.634,31 3.702,32 4.537,33 4.77,34 3.342,35 3.631,36 5.467,37 3.491,38 4.443,39 4.741,40 3.043,41 3.311,42 5.262,43 3.157,44 3.957,45 4.196,46 2.94,47 2.95,48 4.986,49 2.885,50 3.833,51 4.046,52 2.777,53 2.775,54 5.118,55 2.729,56 0.034,57 0.532,58 8.363,59 3.396,60 6.021,61 4.575,62 0.45,63 0.856,64 17.001,65 5.649,66 33.514,67 7.878,68 0.214,69 1.033,70 20.27,71 7.612,72 24.179,73 10.297,74 0.468,75 1.093,76 25.544,77 8.094,78 44.561,79 11.429,80 0.265,81 0.928,82 21.556,83 7.682,84 31.174,85 10.966,86 0.46,87 0.722,88 21.445,89 6.171,90 38.958,91 9.353,92 0.256,93 0.494,94 12.553,95 3.607,96 21.073,97 5.27,98 0.382,99 0.435,100 11.277,101 2.486,102 42.708,103 3.827,104 20,105 32,106 0.287,107 0.637,108 0.816,109 0.869,110 0.869,111 0.869,112 3.012,113 0.921,114 -2.84,115 -2.85,116 -2.76,121 37.8,122 1,123 1,125 1,126 2,127 1,130 1,144 3,145 1,146 2,161 1,176 5,179 2,180 7,183 2,187 6,192 8,200 5,206 5,211 2,214 3,218 1,219 5,224 2,227 2,231 1,232 1,237 1,243 1,244 2,247 1,249 2,255 1,259 1,281 380,282 12.626,283 12.626,284 12.626,285 12.626,286 12.626,287 11.81,288 19.712,289 7.078,290 13.037,291 10.25,292 10.25,293 10.25,294 10.25,295 10.25,296 8.861,297 24.439,298 3.23,299 10.851,300 3.652,301 1.752,302 0.784,303 0.494,304 0.494,305 0.494,306 3.681,310 1,311 1,312 1,313 299,314 3.24,317 63.564,318 36.442,320 51.233,321 55.53,324 77.068,325 1.141,326 17.441,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 42,338 139,339 4.809,340 3.969,341 7.956,342 4.681,343 3.705,344 4.198,345 2.186,346 15.054,347 3.62,348 3.956,349 3.657,350 6.18,351 3.61,352 2.659,353 3.289,354 1.138,355 8.773,356 2.53,357 3.661,358 2.756,359 5.942,360 3.392,361 2.455,362 2.858,363 0.643,364 7.804,365 2.28,366 3.426,367 2.723,368 5.414,369 3.125,370 2.182,371 2.585,372 0.366,373 6.815,374 2.04,375 3.112,376 2.381,377 4.74,378 2.793,379 1.848,380 2.213,382 5.132,383 1.73,384 2.52,385 1.616,386 4.198,387 2.167,388 1.217,389 1.526,391 3.026,392 1.153,393 2.201,394 1.15,395 3.704,396 2.013,397 1.061,398 1.19,400 2.637,401 0.999,402 1.696,403 1.108,404 3.649,405 1.556,406 0.638,407 0.664,409 1.642,410 0.581,411 1.501,412 0.968,413 3.029,414 1.294,415 0.377,416 0.401,418 0.571,419 0.341,420 1.198,421 0.641,422 2.907,423 0.804,424 -0.164,425 -0.205,427 -0.367,428 -0.156,429 0.698,430 -0.158,431 2.445,432 0.348,433 -0.602,434 -0.63,436 -1.55,437 -0.562,438 0.552,439 -0.321,440 2.288,441 0.261,442 -0.712,443 -0.844,445 -1.943,446 -0.69,447 0.344,448 -0.642,449 2.201,450 0.082,451 -0.909,452 -1.233,454 -2.686,455 -0.894,456 -0.167,457 -0.869,458 1.922,459 -0.377,460 -1.339,461 -1.414,463 -3.081,464 -1.258,465 -0.318,466 -0.991,467 1.785,468 -0.459,469 -1.414,470 -1.659,472 -4.041,473 -1.363,474 8.8,475 0.463,476 0.613,477 0.032,478 21.5,479 1.132,480 8.5,481 0.447,482 13,483 0.684,484 16.063,485 0.845,486 21.8,487 0.589,488 14.579,489 0.767,490 4.189,491 0.22,492 4.87,493 0.256,494 0.208,495 0.057,496 0.33,501 0.822,502 1.536,503 0.802,504 1.294,505 0.636,506 1.074,507 0.839,508 0.777,509 0.781,510 0.733,511 0.502,512 0.731,513 1.029,514 1.304,515 1.004,516 1.251,517 0.726,518 1.148,519 1.277,520 0.951,521 1.203,522 0.995,523 1.027,524 1.068,525 0.758,526 1.256,527 1.089,528 1.368,529 0.859,530 1.315,531 0.896,532 0.772,533 0.802,534 0.765,535 0.814,536 0.773,537 1.115,538 1.051,539 0.91,540 0.987,541 1.292,542 0.93,543 1.58,544 1.032,545 1.368,546 0.941,547 2.918,548 1.067,549 5,551 3.333,552 2.674,553 0.961,554 0.615,555 0.375,556 0.287,557 0.118,558 0.025,559 2876,560 7641,561 2.038,562 48.6,563 3,564 11,565 1,567 1,569 2,572 1.606,573 1.854,574 2.834,575 -0.249,577 1,578 1,579 1,582 57.633,583 1.558,584 3.458,585 4.425,586 4.716,587 4.716,588 4.716,589 2.234,590 4.037,591 4.216,592 2.968,593 507.444,594 7.2,595 4788.16,596 1,597 1,599 1,600 192.75,601 1.747,602 4.142,603 0.238,605 0.104,606 0.081,607 0.037,608 0.032,609 0.027,610 0.022,611 0.012,612 0.008,613 0.562,614 0.83,615 1,616 1.368,617 80.314,618 -0.04,619 -0.264,620 0.074,621 -0.136,622 -0.059,623 -0.025,624 0.195,625 0.369,626 0.18,627 0.294,628 0.192,629 0.246,630 -0.104,631 -0.212,632 -0.082,633 -0.162,634 0.002,635 -0.126,636 -0.234,637 0.047,638 -0.23,639 -0.015,640 -0.112,641 -0.103,642 0.022,643 -0.293,644 -0.162,645 -0.345,646 -0.046,647 -0.301,648 0.083,649 0.022,650 0.21,651 0.138,652 0.007,653 0.19,654 0.041,655 -0.123,656 0.106,657 -0.066,658 0.003,659 0.006,660 -0.047,661 -0.017,662 -0.296,663 -0.111,664 -0.165,665 -0.228,666 2.115,667 4.285,668 0.632,669 12.316,670 1.007,671 1.134,672 1.613,673 2.601,674 0.634,675 3.091,676 3.497,677 3.85,678 4.174,679 4.369,680 4.466,681 4.635,682 4.673,683 4.575,684 4.454,685 4.433,686 0.605,687 262.34,688 3.091,689 4.673,690 5.572,691 6.509,692 7.435,693 8.382,694 9.321,695 10.273,696 11.219,697 12.174,698 5.4,704 1,705 1,715 3,720 3,722 6,736 1,737 1,741 37,743 7,744 1,745 21,747 39,748 14,749 6,750 3,751 3,756 3,757 6,763 1,764 1,766 1,767 1,770 1,772 7,773 7,777 1,782 1,786 1,789 1,790 1,793 18,794 5,795 1,796 5,802 2,808 0.333,809 3,815 1,828 2,829 1,831 1,832 1,835 1,858 1,859 1,864 3,868 19,876 2,877 1,878 2,880 1,881 1,882 1,893 8.1,896 1,897 1,898 1,901 10.25,902 7.533,903 4.125,904 2.171,907 1.326,908 1.196,909 0.936,910 2.947,911 8.108,912 3.258,913 3.818,914 4.347,915 4.886,916 5.372,917 5.617,918 5.971,919 6.183,920 6.154,921 6.056,922 0.8,923 33,924 7.033,926 3.021,927 0.026,929 7.75,931 13.521,933 11.405,936 2.25,937 42.75,938 0.001,941 200.109,942 79.122,943 21.135,945 47.145,948 79.122,949 247.253,950 21.135,951 25.618,952 25.138,953 28.429,954 36.145,955 25.31,956 18.534,957 188.338,959 200.109,960 100.257,961 47.145,964 176.567,965 59.687,966 11,968 33.963,969 66.294,972 200.109,973 68.28,974 79.122,977 200.109,978 25.075,979 57.171,980 18.011,981 47.145,982 200.109,983 68.28,984 79.122,986 0.598,987 0.371,988 0.197,989 0.102,990 18,991 8,992 0.051,993 2,994 2,995 1.333,996 3.01,997 149.261,998 0.333,999 12,1000 80.711,1005 12.758,1006 4.389,1007 1.817,1009 68.28,1010 5.755,1015 2.913,1017 18.011,1018 347.51,1019 25,1024 11.285,1028 -0.448,1031 37.254,1032 41.946,1034 0.299,1035 0.664,1036 0.849,1037 0.905,1038 0.905,1039 0.905,1040 4.57,1041 0.638,1042 5.638,1043 2.637,1044 4.174,1045 4.5,1046 2.539,1047 6.613,1048 4.074,1049 5.794,1050 0.377,1051 7.313,1052 1.642,1053 4.111,1054 4.494,1055 1.847,1056 8.084,1057 4.009,1058 7.149,1059 -0.164,1060 9.108,1061 0.571,1062 5.974,1063 6.623,1064 3.585,1065 11.245,1066 5.812,1067 8.545,1068 -0.602,1069 10.98,1070 -0.367,1071 6.746,1072 7.388,1073 3.604,1074 13.571,1075 6.591,1076 9.978,1077 -0.712,1078 12.905,1079 -1.55,1080 8.183,1081 9.089,1082 4.933,1083 16.389,1084 7.992,1085 11.438,1086 -0.909,1087 14.866,1088 -1.943,1089 9.293,1090 10.193,1091 5.293,1092 18.99,1093 9.1,1094 12.92,1095 -1.339,1096 16.856,1097 -2.686,1098 10.62,1099 11.741,1100 6.395,1101 21.728,1102 10.402,1103 3.705,1104 -1.414,1105 18.865,1106 -3.081,1107 11.856,1108 13.007,1109 6.931,1110 24.408,1111 11.627,1112 2.659,1113 15.054,1114 20.891,1115 -4.041,1116 13.16,1117 14.493,1118 7.904,1119 27.127,1120 12.91,1121 2.455,1122 8.773,1123 22.928,1124 4.198,1125 14.442,1126 15.84,1127 8.54,1128 29.829,1129 14.174,1130 2.182,1131 7.804,1132 24.974,1133 3.289,1134 15.745,1135 17.298,1136 9.436,1137 32.543,1138 15.456,1139 1.848,1140 6.815,1141 27.027,1142 2.858,1143 17.043,1144 18.687,1145 10.13,1146 35.252,1147 16.734,1148 1.217,1149 5.132,1150 29.085,1151 2.585,1152 18.349,1153 20.132,1154 10.982,1155 37.964,1156 18.018,1157 1.061,1158 3.026,1159 31.147,1160 2.213,1161 19.654,1162 21.543,1163 11.71,1164 40.675,1165 19.301,1166 2912,1167 4812,1168 13.523,1169 23.466,1170 32.349,1171 33.826,1172 34.804,1173 32.202,1174 32.282,1175 37.848,1176 8.666,1177 102.908,1178 30.549,1179 5.773,1180 5.969,1181 7.507,1182 5.771,1183 5.705,1184 7.198,1185 3.889,1186 23.395,1187 5.62,1188 10.207,1189 1.54,1190 1.611,1191 1.657,1192 1.533,1193 1.537,1194 1.802,1195 0.413,1196 4.9,1197 1.455,1198 4.075,1199 4.102,1200 4.025,1201 3.98,1202 7.435,1203 3.986,1204 3.678,1205 3.705,1206 3.601,1207 3.523,1208 4.863,1209 3.529,1210 3.505,1211 3.57,1212 3.404,1213 3.207,1214 4.6,1215 3.249,1216 3.291,1217 3.387,1218 3.117,1219 3.059,1220 4.265,1221 3.06,1222 3.112,1223 3.201,1224 2.892,1225 2.902,1226 4.071,1227 2.884,1228 2.969,1229 3.014,1230 2.77,1231 2.698,1232 3.895,1233 2.703,1234 2.775,1235 2.849,1236 2.586,1237 2.611,1238 3.807,1239 2.599,1240 2.702,1241 2.793,1242 2.464,1243 2.472,1244 3.495,1245 2.464,1246 0.229,1247 0.189,1248 0.379,1249 0.223,1250 0.176,1251 4.809,1252 0.2,1253 3.969,1254 0.104,1255 7.956,1256 0.717,1257 4.681,1258 0.172,1259 3.705,1260 4.198,1261 2.186,1262 15.054,1263 3.62,1264 1.903,1265 1.884,1266 2.004,1267 1.993,1268 1.31,1269 1.994,1270 1.624,1271 1.572,1272 1.83,1273 1.8,1274 1.031,1275 1.813,1276 1.419,1277 1.357,1278 1.693,1279 1.748,1280 0.858,1281 1.726,1282 1.367,1283 1.298,1284 1.654,1285 1.64,1286 0.682,1287 1.646,1288 1.17,1289 1.083,1290 1.537,1291 1.441,1292 0.63,1293 1.475,1294 0.878,1295 0.833,1296 1.21,1297 1.209,1298 0.365,1299 1.177,1300 0.817,1301 0.734,1302 1.087,1303 1.109,1304 0.149,1305 1.149,1306 0.726,1307 0.645,1308 1.014,1309 0.949,1310 0.083,1311 0.986,1312 3.761,1314 5.142,1315 3.045,1316 6.727,1317 5.587,1318 8.413,1319 7.84,1320 10.161,1322 5.793,1328 1.754,1329 2.45,1330 11.031,1332 0.081,1333 2.159,1334 -0.022,1340 22.402,1341 57.633,1342 127.937,1343 163.73,1344 174.485,1345 174.485,1346 174.485,1347 27.118,1348 6.782,1349 50.8,1350 50.8,1351 16,1352 12.662,1353 3,1354 2.322,1355 27.752,1356 50,1357 58,1358 0.291,1359 136.751,1360 240.59,1361 325.432,1362 6395,1364 13.621,1365 0.717,1366 0.6,1367 13.621,1368 11.396,1369 9.059,1370 0.431,1371 0.307,1372 6.312,1373 8.562,1374 6.07,1375 5.038,1376 9.059,1377 6.446,1378 8.562,1379 0.268,1380 0.166,1381 8.562,1382 5.32,1383 7.68,1384 0.167,1385 0.091,1386 7.68,1387 4.172,1388 6.459,1389 0.101,1390 0.049,1391 6.459,1392 3.125,1393 4.995,1394 0.064,1395 0.026,1396 4.995,1397 2.047,1398 0.432,1399 57.834,1400 0.272,1401 18.445,1402 0.867,1403 106,1404 317.185,1405 120.209,1406 293.747,1407 402.63,1408 276,1409 131,1410 298.68,1411 145.131,1412 298.792,1413 446.3,1414 279,1415 7.569}
{0 CHEMBL362579,1 1.534,2 11.29,3 6.286,4 39.518,5 128.665,6 7.625,7 0.545,8 4.105,9 4.217,10 3.722,11 3.742,12 5.259,13 3.674,14 4.609,15 4.76,16 4.086,17 4.146,18 5.774,19 4.042,20 4.896,21 5.083,22 4.206,23 4.309,24 5.965,25 4.168,26 5.007,27 5.231,28 4.152,29 4.289,30 6.052,31 4.134,32 4.912,33 5.116,34 4.136,35 4.256,36 5.98,37 4.132,38 4.986,39 5.198,40 4.193,41 4.282,42 6.087,43 4.165,44 4.948,45 5.151,46 4.12,47 4.226,48 6.16,49 4.137,50 4.892,51 5.08,52 4.103,53 4.157,54 6.269,55 4.084,56 0.13,57 0.759,58 11.75,59 5.628,60 12.568,61 7.148,62 0.153,63 1.218,64 22.422,65 10.213,66 45.465,67 12.71,68 0.159,69 1.623,70 34.06,71 13.708,72 42.091,73 16.85,74 0.336,75 1.736,76 42.825,77 15.63,78 71.17,79 18.799,80 0.222,81 1.595,82 33.624,83 13.207,84 56.626,85 16.665,86 0.324,87 1.693,88 38.514,89 14.259,90 64.842,91 17.672,92 0.381,93 1.598,94 33.367,95 12.78,96 81.076,97 16.259,98 0.449,99 1.509,100 29.232,101 11.463,102 111.943,103 14.75,104 42,105 45,106 0.249,107 0.546,108 0.703,109 0.826,110 0.853,111 0.853,112 3.472,113 1.008,114 -6.7,115 -6.51,116 -6.04,121 43.9,122 2,123 2,124 1,129 1,144 12,145 3,146 3,159 1,165 1,166 1,167 1,168 2,176 17,179 1,180 4,185 1,187 23,189 1,192 8,197 3,200 20,203 3,206 9,211 1,214 16,216 1,219 7,224 2,227 20,229 2,232 7,237 2,239 20,241 2,243 1,244 6,246 1,247 1,249 2,251 19,253 2,255 2,256 11,258 1,259 1,261 3,264 20,266 3,269 11,271 2,272 2,274 2,277 15,279 2,281 1933,282 20.43,283 20.43,284 20.43,285 20.43,286 20.43,287 17.808,288 18.325,289 12.133,290 20.638,291 16.277,292 16.277,293 16.277,294 16.277,295 16.277,296 12.409,297 16.55,298 5.763,299 16.641,300 4.299,301 2.475,302 1.509,303 0.755,304 0.588,305 0.588,306 4.15,312 1,313 729,314 4.243,318 356.324,325 1.765,326 34.029,329 0.75,330 0.83,331 0.67,332 0.7,333 0.5,334 0.83,335 1,336 0.75,337 66,338 350,339 4.327,340 4.625,341 6.295,342 3.97,343 3.005,344 3.995,345 3.272,346 9.593,347 2.933,348 4.2,349 3.78,350 6.024,351 3.807,352 2.805,353 3.785,354 2.612,355 8.583,356 2.787,357 4.162,358 3.62,359 5.997,360 3.723,361 2.77,362 3.766,363 1.277,364 8.494,365 2.618,366 3.882,367 3.308,368 5.788,369 3.535,370 2.547,371 3.291,373 7.749,374 2.525,375 3.731,376 2.785,377 5.408,378 3.412,379 2.425,380 3.07,382 7.129,383 2.369,384 3.174,385 2.4,386 4.557,387 2.937,388 1.932,389 2.344,391 4.747,392 1.941,393 3.048,394 2.103,395 4.421,396 2.656,397 1.7,398 2.103,400 4.46,401 1.616,402 2.889,403 2.06,404 4.169,405 2.408,406 1.435,407 2.052,409 3.749,410 1.4,411 2.836,412 1.755,413 3.924,414 2.396,415 1.414,416 1.962,418 3.154,419 1.367,420 2.769,421 1.658,422 3.659,423 2.312,424 1.295,425 1.8,427 2.971,428 1.31,429 2.593,430 1.459,431 3.582,432 2,433 1,434 1.588,436 2.441,437 1,438 2.5,439 1.169,440 3.435,441 2,442 1,443 1.5,445 2.319,446 1,447 2.337,448 1,449 3.414,450 1.916,451 0.938,452 1.25,454 2.275,455 0.9,456 1.354,457 1,458 2.847,459 1.045,460 0.122,461 0.143,463 0.291,464 0.11,465 1.211,466 0.868,467 2.617,468 0.938,469 -0.058,470 -0.068,472 -0.141,473 -0.057,474 15.133,475 0.488,476 0.843,477 0.027,478 41.25,479 1.331,480 23.5,481 0.758,482 17.75,483 0.573,484 27.137,485 0.875,486 32.867,487 0.577,488 32.85,489 1.06,490 7.732,491 0.249,492 7.097,493 0.229,494 0.159,496 0.324,501 0.41,502 0.898,503 0.772,504 0.857,505 0.565,506 0.9,507 0.435,508 1.054,509 0.904,510 1.044,511 0.417,512 1,513 0.716,514 1.167,515 1.161,516 1.221,517 0.66,518 1.122,519 0.968,520 1,521 1.229,522 1.145,523 0.973,524 0.983,525 0.871,526 1.033,527 0.991,528 1.048,529 0.876,530 1.006,531 0.962,532 1.003,533 0.996,534 1.047,535 1.004,536 0.949,537 1.11,538 0.977,539 0.877,540 0.91,541 1.192,542 0.917,543 1.076,544 1.097,545 0.786,546 0.94,547 1.082,548 1.002,549 7,550 0.206,551 3.556,552 1.75,553 1.707,554 1.25,555 0.673,556 0.677,557 0.447,558 0.249,559 11951,560 32435,561 1.993,562 45.6,563 9,564 13,567 2,568 2,572 1.743,573 1.842,574 3.404,575 0.161,582 87.412,583 1.534,584 3.358,585 4.323,586 5.078,587 5.245,588 5.245,589 2.882,590 4.285,591 4.922,592 3.649,593 1696.8,594 8.635,595 24539.7,600 332.475,601 1.492,602 4.869,603 0.212,604 0.009,605 0.079,606 0.038,607 0.04,608 0.028,609 0.014,610 0.014,611 0.01,612 0.007,613 0.451,614 0.17,615 0.88,616 1.033,617 160.858,618 0.182,619 0.206,620 0.051,621 0.13,622 -0.03,623 0.062,624 0.161,625 -0.022,626 0.068,627 0.025,628 0.176,629 0.008,630 -0.011,631 -0.132,632 -0.032,633 -0.102,634 0.015,635 -0.107,636 -0.036,637 -0.002,638 0.003,639 -0.004,640 -0.036,641 0.041,642 -0.027,643 -0.035,644 0.019,645 -0.021,646 -0.036,647 -0.01,648 -0.009,649 -0.009,650 0.061,651 -0.01,652 -0.047,653 0.046,654 0.017,655 0.001,656 0.015,657 0.016,658 -0.032,659 0.041,660 0.166,661 -0.119,662 0.013,663 -0.077,664 0.193,665 -0.072,666 2.419,667 6.077,668 0.581,669 32.089,670 0.998,671 1.115,672 5.467,673 29.888,674 0.687,675 3.526,676 3.829,677 4.025,678 4.22,679 4.443,680 4.466,681 4.585,682 4.654,683 4.673,684 4.727,685 6.959,686 0.644,687 434.6,688 3.526,689 5.056,690 5.878,691 6.735,692 7.576,693 8.435,694 9.285,695 10.146,696 11.001,697 11.863,698 3.5,702 1,709 1,715 12,720 6,722 18,727 1,733 1,735 1,741 57,743 21,744 3,745 33,747 59,748 25,749 18,750 6,751 12,752 1,756 3,757 3,763 2,770 3,772 19,773 6,774 1,777 3,779 1,782 3,786 1,793 26,794 4,795 2,796 6,797 1,802 2,808 1,809 3,829 3,859 3,860 1,862 1,864 2,868 31,869 1,876 2,879 1,880 2,893 5.3,896 1,899 2,901 16.833,902 10.617,903 6.861,904 3.408,907 2.431,908 1.34,909 0.953,910 7.754,911 9.574,912 3.829,913 4.401,914 4.885,915 5.365,916 5.879,917 5.957,918 6.245,919 6.417,920 6.698,921 7.055,922 1,923 46,924 11.502,926 4.869,927 0.026,929 7.892,931 21.766,933 17.726,936 2.392,937 74.167,941 282.506,942 190.408,943 38.567,945 75.892,947 32.22,948 158.189,949 358.398,950 38.567,951 23.32,952 5.069,953 146.612,954 30.278,955 16.621,957 314.726,958 50.747,959 282.506,960 196.756,961 75.892,962 32.22,964 282.506,965 25.145,966 50.747,968 22.719,969 168.367,970 5.67,971 32.22,972 282.506,973 114.459,974 190.408,977 282.506,978 59.043,979 137.035,981 108.789,982 282.506,983 114.459,984 190.408,986 0.58,987 0.322,988 0.164,989 0.092,990 19,991 10,992 0.153,993 9,995 1,996 4.118,997 269.136,999 18,1000 145.58,1001 1,1005 22.896,1006 10.499,1007 6.349,1009 108.789,1010 21.645,1015 4.048,1017 32.897,1018 587.374,1019 45,1021 -0.419,1024 35.581,1028 -0.005,1031 56.865,1032 63.527,1034 0.263,1035 0.576,1036 0.741,1037 0.871,1038 0.899,1039 0.899,1040 5.047,1041 1.435,1042 5.861,1043 4.46,1044 4.511,1045 5.088,1046 3.608,1047 6.624,1048 4.468,1049 6.249,1050 1.414,1051 7.398,1052 3.749,1053 4.111,1054 4.868,1055 2.361,1056 7.438,1057 4.04,1058 7.543,1059 1.295,1060 9.032,1061 3.154,1062 6.066,1063 7.227,1064 5.698,1065 10.475,1066 5.977,1067 8.868,1068 1,1069 10.721,1070 2.971,1071 6.431,1072 7.772,1073 4.506,1074 12.069,1075 6.308,1076 10.221,1077 1,1078 12.443,1079 2.441,1080 7.883,1081 9.635,1082 7.954,1083 14.61,1084 7.748,1085 11.593,1086 0.938,1087 14.189,1088 2.319,1089 8.6,1090 10.539,1091 6.556,1092 16.532,1093 8.428,1094 12.98,1095 0.122,1096 15.95,1097 2.275,1098 9.836,1099 12.176,1100 10.266,1101 18.881,1102 9.652,1103 3.005,1104 -0.058,1105 17.722,1106 0.291,1107 10.725,1108 13.269,1109 8.548,1110 20.955,1111 10.506,1112 2.805,1113 9.593,1114 19.502,1115 -0.141,1116 11.863,1117 14.786,1118 12.603,1119 23.226,1120 11.63,1121 2.77,1122 8.583,1123 21.288,1124 3.995,1125 12.838,1126 15.985,1127 10.509,1128 25.375,1129 12.574,1130 2.547,1131 8.494,1132 23.08,1133 3.785,1134 13.933,1135 17.436,1136 14.954,1137 27.617,1138 13.652,1139 2.425,1140 7.749,1141 24.875,1142 3.766,1143 14.952,1144 18.698,1145 12.452,1146 29.805,1147 14.643,1148 1.932,1149 7.129,1150 26.673,1151 3.291,1152 16.029,1153 20.111,1154 17.312,1155 32.038,1156 15.702,1157 1.7,1158 4.747,1159 28.473,1160 3.07,1161 17.073,1162 21.412,1163 14.386,1164 34.249,1165 16.719,1166 11851,1167 19790,1168 21.383,1169 39.159,1170 49.439,1171 53.745,1172 50.674,1173 48.741,1174 48.779,1175 65.296,1176 14.325,1177 135.913,1178 47.754,1179 5.229,1180 6.625,1181 5.983,1182 5.097,1183 5.005,1184 6.995,1185 6.545,1186 16.152,1187 4.933,1188 18.304,1189 1.498,1190 1.629,1191 1.536,1192 1.477,1193 1.478,1194 1.979,1195 0.434,1196 4.119,1197 1.447,1198 4.034,1199 4.058,1200 4.094,1201 3.971,1202 7.815,1203 3.956,1204 3.942,1205 3.969,1206 3.897,1207 3.875,1208 7.427,1209 3.866,1210 3.881,1211 3.91,1212 3.886,1213 3.814,1214 6.999,1215 3.808,1216 3.665,1217 3.716,1218 3.607,1219 3.539,1220 5.102,1221 3.525,1222 3.549,1223 3.583,1224 3.473,1225 3.381,1226 4.714,1227 3.361,1228 3.383,1229 3.414,1230 3.347,1231 3.051,1232 4.676,1233 3.117,1234 3.073,1235 3.158,1236 3.187,1237 2.969,1238 4.509,1239 2.948,1240 3.037,1241 3.097,1242 2.886,1243 2.821,1244 4.195,1245 2.825,1246 0.131,1247 0.14,1248 0.191,1249 0.12,1250 0.091,1251 4.327,1252 0.121,1253 4.625,1254 0.099,1255 6.295,1256 0.291,1257 3.97,1258 0.089,1259 3.005,1260 3.995,1261 3.272,1262 9.593,1263 2.933,1264 1.975,1265 1.954,1266 2.087,1267 2.091,1268 1.317,1269 2.076,1270 1.929,1271 1.905,1272 2.031,1273 2.032,1274 1.26,1275 2.037,1276 1.867,1277 1.842,1278 1.97,1279 1.958,1280 1.051,1281 1.97,1282 1.666,1283 1.613,1284 1.899,1285 1.83,1286 1.04,1287 1.854,1288 1.47,1289 1.431,1290 1.651,1291 1.706,1292 0.875,1293 1.672,1294 1.182,1295 1.154,1296 1.417,1297 1.544,1298 0.517,1299 1.502,1300 1.049,1301 1.01,1302 1.323,1303 1.318,1304 0.469,1305 1.321,1306 0.995,1307 0.91,1308 1.285,1309 1.239,1310 0.283,1311 1.308,1312 4.205,1314 5.509,1316 6.997,1318 8.564,1320 10.171,1322 4.324,1326 6.109,1328 1.178,1331 1.455,1332 0.25,1340 36.696,1341 87.412,1342 191.416,1343 246.436,1344 289.455,1345 298.965,1346 298.965,1347 81.882,1348 7.143,1349 88.91,1350 114.21,1351 18,1352 12.413,1353 4.459,1354 3.7,1355 57.831,1356 121,1357 151,1358 0.218,1359 232.906,1360 409.12,1361 560.05,1362 10749,1364 22.38,1365 0.722,1366 0.596,1367 22.734,1368 18.471,1369 14.829,1370 0.449,1371 0.336,1372 10.218,1373 14.023,1374 9.796,1375 8.22,1376 15.238,1377 11.088,1378 13.572,1379 0.302,1380 0.204,1381 14.214,1382 9.163,1383 10.435,1384 0.19,1385 0.114,1386 11.291,1387 6.281,1388 8.243,1389 0.123,1390 0.068,1391 9.127,1392 4.577,1393 6.651,1394 0.079,1395 0.039,1396 7.539,1397 3.297,1398 0.34,1399 95.824,1400 0.216,1401 29.047,1402 0.606,1403 156,1404 449.024,1405 190.93,1406 462.381,1407 613.66,1408 426,1409 178,1410 427.246,1411 210.474,1412 447.487,1413 642.08,1414 419,1415 5.886}
{0 CHEMBL362685,1 1.29,2 22.188,3 8.627,4 74.422,5 132.471,6 5.438,8 4.429,9 4.584,10 3.665,11 3.845,12 5.268,13 3.759,14 5.054,15 5.292,16 3.837,17 4.2,18 5.891,19 4.031,20 5.349,21 5.664,22 3.792,23 4.301,24 5.968,25 4.087,26 5.316,27 5.619,28 3.777,29 4.242,30 6.043,31 4.05,32 5.256,33 5.554,34 3.737,35 4.195,36 5.997,37 4.01,38 5.208,39 5.497,40 3.706,41 4.168,42 5.973,43 3.981,44 5.191,45 5.484,46 3.601,47 4.15,48 5.912,49 3.948,50 5.153,51 5.461,52 3.55,53 4.146,54 5.766,55 3.92,56 0.101,57 1.055,58 21.351,59 8.287,60 9.357,61 12.062,62 0.7,63 1.546,64 36.702,65 12.882,66 55.262,67 19.154,68 0.424,69 1.744,70 44.201,71 14.842,72 34.863,73 22.813,74 0.539,75 1.654,76 43.899,77 13.581,78 50.682,79 21.167,80 0.53,81 1.566,82 41.646,83 12.909,84 48.581,85 20.002,86 0.479,87 1.503,88 39.759,89 12.776,90 52.165,91 19.497,92 0.508,93 1.478,94 38.755,95 12.591,96 48.642,97 19.175,98 0.348,99 1.478,100 36.319,101 12.776,102 31.503,103 19.372,104 72,105 32,106 0.201,107 0.304,108 0.472,109 0.584,110 0.626,111 0.665,112 3.5,113 1.308,114 -5.25,115 -5.13,116 -4.8,121 31,122 2,123 18,127 4,161 2,176 17,179 2,180 2,183 4,185 2,187 14,192 2,197 2,200 11,206 8,211 4,214 10,219 8,224 2,227 9,232 8,237 2,239 10,244 4,249 2,251 11,256 4,261 2,264 12,269 4,274 2,277 11,281 2540,282 21.987,283 21.987,284 21.987,285 21.987,286 21.987,287 21.678,288 14.51,289 15.186,290 22.373,291 15.347,292 15.347,293 15.347,294 15.347,295 15.347,296 14.743,297 12.515,298 7.367,299 15.877,300 5.103,301 4.443,302 3.365,303 2.652,304 2.38,305 2.131,306 4.151,312 1,313 1360,314 5.657,325 3.688,326 25.689,329 1,330 0.67,331 0.83,332 0.6,333 1,334 0.83,335 0.5,336 0.78,337 69,338 710,339 3.659,340 3.637,341 5.035,342 3.32,343 2.382,344 2.828,345 2.186,346 6.092,347 2.207,348 3.659,349 3.637,350 5.035,351 3.32,352 2.382,353 2.828,354 2.186,355 6.092,356 2.207,357 2.969,358 2.037,359 3.971,360 2.966,361 1.967,362 1.969,363 0.366,364 3.939,365 1.965,366 2.881,367 2.025,368 3.886,369 2.871,370 1.875,371 1.88,372 0.366,373 3.763,374 1.867,375 2.745,376 1.914,377 3.762,378 2.727,379 1.742,380 1.745,382 3.494,383 1.716,384 2.647,385 1.791,386 3.647,387 2.612,388 1.637,389 1.644,391 3.215,392 1.592,393 2.625,394 1.781,395 3.581,396 2.581,397 1.593,398 1.618,400 3.073,401 1.568,402 2.527,403 1.747,404 3.482,405 2.485,406 1.488,407 1.517,409 2.918,410 1.479,411 2.309,412 1.545,413 3.299,414 2.262,415 1.28,416 1.298,418 2.552,419 1.251,420 2.056,421 1.291,422 3.086,423 2.002,424 1.038,425 1.046,427 2.069,428 0.993,429 1.815,430 1.055,431 2.882,432 1.763,433 0.814,434 0.814,436 1.57,437 0.767,438 1.753,439 1.044,440 2.701,441 1.663,442 0.694,443 0.71,445 1.213,446 0.668,447 1.699,448 0.989,449 2.517,450 1.578,451 0.591,452 0.618,454 1.022,455 0.578,456 1.451,457 0.696,458 2.312,459 1.345,460 0.371,461 0.384,463 0.703,464 0.358,465 1.151,466 0.417,467 2.102,468 1.052,469 0.086,470 0.088,472 0.17,473 0.082,474 15.133,475 0.473,476 0.212,477 0.007,478 21,479 0.656,480 3,481 0.094,482 18,483 0.563,484 41.527,485 1.298,486 41.867,487 0.498,488 11.256,489 0.352,490 2.747,491 0.086,492 12.955,493 0.405,494 0.11,496 0.066,501 0.798,502 1.711,503 1.188,504 1.611,505 0.582,506 1.464,507 0.609,508 1.359,509 1.202,510 1.398,511 0.433,512 1.382,513 0.786,514 1.015,515 0.885,516 1,517 0.649,518 0.961,519 1.252,520 0.97,521 1.024,522 0.947,523 1.241,524 0.954,525 1.343,526 0.925,527 1.062,528 0.932,529 1.327,530 0.954,531 1.312,532 1.006,533 1.07,534 1.016,535 1.317,536 1.016,537 1.391,538 0.949,539 1.137,540 0.968,541 1.417,542 1.019,543 0.771,544 1.039,545 0.99,546 1.06,547 0.752,548 1.055,549 2.5,550 0.05,551 1.111,552 0.625,553 0.4,554 0.278,555 0.122,556 0.094,557 0.074,558 0.06,559 18871,560 37725,561 1.881,562 61.9,563 34,564 8,567 2,569 8,572 1.731,573 1.811,574 4.429,575 0.146,582 108.32,583 1.29,584 1.949,585 3.027,586 3.74,587 4.012,588 4.261,589 3.875,590 4,591 4.969,592 4.615,593 2289,594 8.617,595 44862.2,600 536.955,601 0.868,602 4.962,603 0.081,604 0.002,605 0.035,606 0.02,607 0.013,608 0.01,609 0.004,610 0.004,611 0.003,612 0.003,613 0.175,614 0.17,615 0.88,616 3.875,617 184.439,618 0.004,619 -0.163,620 0.007,621 -0.12,622 0.017,623 -0.063,624 0.338,625 -0.134,626 -0.121,627 -0.204,628 0.231,629 -0.224,630 0.012,631 -0.044,632 0.061,633 -0.012,634 0.013,635 0.026,636 -0.088,637 -0.001,638 -0.012,639 0.009,640 -0.072,641 0.009,642 -0.114,643 0.055,644 -0.032,645 0.029,646 -0.091,647 0.013,648 -0.098,649 -0.018,650 -0.042,651 -0.017,652 -0.045,653 -0.022,654 -0.159,655 0.03,656 -0.11,657 0.022,658 -0.129,659 -0.033,660 -0.033,661 -0.032,662 -0.04,663 -0.035,664 -0.028,665 -0.038,666 1.935,667 4.386,669 59.297,670 0.983,671 1.145,672 4.016,673 16.127,674 0.582,675 3.466,676 3.497,677 3.466,678 3.434,679 3.401,680 3.367,681 3.258,682 3.219,683 3.178,684 3.135,685 12.628,686 0.525,687 456.8,688 3.466,689 4.844,690 5.533,691 6.244,692 6.944,693 7.66,694 8.364,695 9.082,696 9.788,697 10.508,698 2.4,705 2,741 84,743 2,745 31,747 83,748 26,763 2,770 18,772 2,773 24,777 2,782 2,786 2,793 52,794 6,795 2,796 6,802 2,809 4,856 2,864 2,868 32,876 22,877 2,878 2,893 4.8,896 2,898 2,901 17.667,902 14.667,903 8.083,904 6.458,907 0.113,908 1.018,909 0.87,910 25.782,911 6.384,912 3.526,913 3.611,914 3.584,915 3.555,916 3.526,917 3.497,918 3.332,919 3.296,920 3.258,921 3.219,922 0.933,923 31,924 11.968,926 4.459,927 0.026,929 7.573,931 24.016,933 18.12,936 2.073,937 66.333,941 588.555,942 90.193,943 36.022,945 72.29,948 90.193,949 660.845,950 36.022,951 17.65,952 95.039,954 50.29,955 22,956 13.525,957 588.555,959 588.555,960 126.215,961 72.29,964 494.386,965 166.458,968 112.69,969 13.525,972 588.555,973 108.311,974 90.193,977 588.555,978 72.543,979 17.65,980 36.022,981 72.29,982 588.555,983 108.311,984 90.193,986 0.506,987 0.254,988 0.121,989 0.061,990 2,991 2,992 0.301,993 25,996 4.901,997 198.256,1000 128,1005 31.195,1006 26.447,1007 26.358,1009 108.311,1017 36.022,1018 787.059,1019 33,1024 22.772,1028 -0.538,1031 82.603,1032 96.214,1034 0.202,1035 0.305,1036 0.474,1037 0.585,1038 0.628,1039 0.667,1040 4.625,1041 1.488,1042 5.313,1043 3.073,1044 4.174,1045 4.29,1046 2.894,1047 5.707,1048 4.105,1049 5.568,1050 1.28,1051 6.603,1052 2.918,1053 2.565,1054 3.219,1055 2.389,1056 5.38,1057 2.431,1058 6.667,1059 1.038,1060 7.975,1061 2.552,1062 5.361,1063 5.68,1064 4.168,1065 8.646,1066 5.2,1067 7.789,1068 0.814,1069 9.403,1070 2.069,1071 4.615,1072 5.638,1073 4.269,1074 9.383,1075 4.301,1076 8.955,1077 0.694,1078 10.873,1079 1.57,1080 6.725,1081 7.353,1082 5.594,1083 11.901,1084 6.45,1085 10.147,1086 0.591,1087 12.376,1088 1.213,1089 6.512,1090 7.854,1091 5.979,1092 13.159,1093 6.02,1094 11.362,1095 0.371,1096 13.904,1097 1.022,1098 8.199,1099 9.214,1100 7.079,1101 15.335,1102 7.789,1103 2.382,1104 0.086,1105 15.453,1106 0.703,1107 8.34,1108 9.995,1109 7.623,1110 16.854,1111 7.679,1112 2.382,1113 6.092,1114 17.018,1115 0.17,1116 9.752,1117 11.185,1118 8.595,1119 18.86,1120 9.189,1121 1.967,1122 6.092,1123 18.596,1124 2.828,1125 10.133,1126 12.103,1127 9.232,1128 20.512,1129 9.309,1130 1.875,1131 3.939,1132 20.182,1133 2.828,1134 11.362,1135 13.214,1136 10.129,1137 22.429,1138 10.634,1139 1.742,1140 3.763,1141 21.776,1142 1.969,1143 11.906,1144 14.196,1145 10.823,1146 24.15,1147 10.922,1148 1.637,1149 3.494,1150 23.376,1151 1.88,1152 13.013,1153 15.269,1154 11.675,1155 26.019,1156 12.112,1157 1.593,1158 3.215,1159 24.979,1160 1.745,1161 13.666,1162 16.282,1163 12.403,1164 27.778,1165 12.526,1166 19958,1167 28388,1168 20.219,1169 48.864,1170 39.954,1171 41.693,1172 40.661,1173 39.867,1174 39.883,1175 41.979,1176 10.21,1177 83.771,1178 38.6,1179 4.648,1180 5.605,1181 5.009,1182 4.37,1183 4.372,1184 4.828,1185 3.889,1186 10.769,1187 4.178,1188 16.964,1189 1.289,1190 1.345,1191 1.312,1192 1.286,1193 1.287,1194 1.354,1195 0.329,1196 2.702,1197 1.245,1198 3.867,1199 3.929,1200 3.712,1201 3.737,1202 7.437,1203 3.719,1204 3.763,1205 3.821,1206 3.626,1207 3.625,1208 7.433,1209 3.608,1210 3.735,1211 3.8,1212 3.597,1213 3.563,1214 4.49,1215 3.555,1216 3.7,1217 3.77,1218 3.542,1219 3.534,1220 4.464,1221 3.523,1222 3.641,1223 3.708,1224 3.463,1225 3.502,1226 4.224,1227 3.483,1228 3.538,1229 3.595,1230 3.377,1231 3.358,1232 4.199,1233 3.348,1234 3.448,1235 3.5,1236 3.307,1237 3.203,1238 4.193,1239 3.218,1240 3.375,1241 3.445,1242 3.21,1243 3.119,1244 4.091,1245 3.143,1246 0.118,1247 0.117,1248 0.162,1249 0.107,1250 0.077,1251 3.659,1252 0.091,1253 3.637,1254 0.071,1255 5.035,1256 0.197,1257 3.32,1258 0.071,1259 2.382,1260 2.828,1261 2.186,1262 6.092,1263 2.207,1264 1.839,1265 1.779,1266 2.084,1267 1.993,1268 1.452,1269 2.027,1270 1.773,1271 1.713,1272 2.025,1273 1.947,1274 1.385,1275 1.972,1276 1.705,1277 1.638,1278 1.973,1279 1.914,1280 1.279,1281 1.931,1282 1.701,1283 1.631,1284 1.972,1285 1.899,1286 1.254,1287 1.925,1288 1.662,1289 1.597,1290 1.93,1291 1.841,1292 1.254,1293 1.874,1294 1.527,1295 1.464,1296 1.809,1297 1.742,1298 1.138,1299 1.762,1300 1.382,1301 1.323,1302 1.672,1303 1.656,1304 0.973,1305 1.654,1306 1.311,1307 1.243,1308 1.611,1309 1.599,1310 0.796,1311 1.606,1312 4.143,1314 5.252,1316 6.488,1318 7.783,1320 9.113,1322 4.211,1328 24.027,1329 5.539,1330 10.322,1340 44.072,1341 108.32,1342 163.703,1343 254.308,1344 314.187,1345 337.006,1346 357.935,1347 230.815,1348 6.271,1349 76.66,1350 76.66,1352 11.179,1353 1.585,1354 1.585,1355 206.738,1356 246,1357 220,1358 0.379,1359 283.89,1360 510.24,1361 684.452,1362 5206,1364 23.539,1365 0.736,1366 0.662,1367 23.539,1368 21.189,1369 15.702,1370 0.507,1371 0.436,1372 13.38,1373 15.155,1374 13.092,1375 11.145,1376 15.702,1377 13.515,1378 11.436,1379 0.357,1380 0.274,1381 11.436,1382 8.782,1383 7.745,1384 0.25,1385 0.181,1386 7.745,1387 5.604,1388 5.235,1389 0.174,1390 0.116,1391 5.235,1392 3.492,1393 3.512,1394 0.121,1395 0.076,1396 3.512,1397 2.218,1398 0.67,1399 98.091,1400 0.222,1401 32.852,1402 0.875,1403 126,1404 349.608,1405 141.619,1406 318.759,1407 408.9,1408 298,1409 126,1410 269.562,1411 138.3,1412 264.328,1413 375.36,1414 248,1415 6.77}
{0 CHEMBL362704,1 1.537,2 7.947,3 1.992,4 3.969,5 68.314,6 7.314,7 0.286,8 3.708,9 3.805,10 3.262,11 3.168,12 4.762,13 3.175,14 4.302,15 4.45,16 3.684,17 3.584,18 5.422,19 3.575,20 4.536,21 4.711,22 3.678,23 3.729,24 5.525,25 3.686,26 4.555,27 4.774,28 3.497,29 3.611,30 5.566,31 3.538,32 4.355,33 4.551,34 3.312,35 3.38,36 5.449,37 3.326,38 4.098,39 4.307,40 3.019,41 3.137,42 5.088,43 3.061,44 3.926,45 4.147,46 3.006,47 3.019,48 5.053,49 2.945,50 3.951,51 4.176,52 2.776,53 2.887,54 5.13,55 2.812,56 0.061,57 0.49,58 7.826,59 3.548,60 6.085,61 4.391,62 0.503,63 0.788,64 16.258,65 5.968,66 37.36,67 7.673,68 0.379,69 0.955,70 20.923,71 7.539,72 30.41,73 9.752,74 0.462,75 0.9,76 22.693,77 7.416,78 43.71,79 10.018,80 0.533,81 0.725,82 18.682,83 5.601,84 46.319,85 7.426,86 0.41,87 0.566,88 14.415,89 4.419,90 29.803,91 6.019,92 0.273,93 0.509,94 11.677,95 3.851,96 25.187,97 5.579,98 0.464,99 0.484,100 12.842,101 3.144,102 50.406,103 4.553,104 14,105 31,106 0.285,107 0.641,108 0.813,109 0.869,110 0.879,111 0.879,112 3.011,113 0.927,114 -2.84,115 -2.85,116 -2.76,121 38.9,122 2,123 1,125 1,127 2,130 1,144 3,145 1,146 2,161 1,176 5,179 2,180 7,183 2,185 1,187 6,192 7,200 5,206 8,211 2,214 3,218 1,219 5,224 2,227 2,231 1,232 1,237 1,239 2,243 1,244 2,247 1,249 2,251 2,255 1,259 1,264 1,269 1,277 2,281 374,282 12.704,283 12.704,284 12.704,285 12.704,286 12.704,287 11.864,288 19.106,289 7.4,290 13.003,291 10.346,292 10.346,293 10.346,294 10.346,295 10.346,296 8.963,297 22.376,298 3.464,299 10.799,300 3.633,301 1.712,302 0.785,303 0.486,304 0.431,305 0.431,306 3.686,311 1,312 1,313 328,314 3.317,317 36.007,318 79.823,319 48.115,322 68.115,323 75.822,325 1.224,326 21.392,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 42.5,338 151,339 4.664,340 3.814,341 7.576,342 4.528,343 3.537,344 4.105,345 2.186,346 13.68,347 3.502,348 3.937,349 3.659,350 5.861,351 3.595,352 2.65,353 3.232,354 1.392,355 8.146,356 2.501,357 3.635,358 2.903,359 5.432,360 3.312,361 2.364,362 2.839,363 0.532,364 7.179,365 2.234,366 3.368,367 2.759,368 5.33,369 3.229,370 2.248,371 2.536,372 0.366,373 6.712,374 2.181,375 3.204,376 2.423,377 4.773,378 2.884,379 1.924,380 2.272,382 5.322,383 1.831,384 2.557,385 1.511,386 4.169,387 2.137,388 1.14,389 1.579,391 3.149,392 1.136,393 2.123,394 1.348,395 3.72,396 1.983,397 1.025,398 1.08,400 1.869,401 0.973,402 1.753,403 1.173,404 3.175,405 1.637,406 0.74,407 0.747,409 1.714,410 0.655,411 1.47,412 0.889,413 3.069,414 1.167,415 0.239,416 0.274,418 0.607,419 0.218,420 0.879,421 0.4,422 2.936,423 0.627,424 -0.312,425 -0.337,427 -0.698,428 -0.289,429 0.691,430 -0.049,431 2.486,432 0.441,433 -0.546,434 -0.592,436 -1.162,437 -0.535,438 0.646,439 -0.257,440 2.269,441 0.376,442 -0.648,443 -0.792,445 -1.813,446 -0.655,447 0.438,448 -0.53,449 2.152,450 0.127,451 -0.867,452 -0.993,454 -2.686,455 -0.861,456 0.146,457 -0.713,458 1.917,459 -0.004,460 -1,461 -1.297,463 -2.885,464 -0.995,465 -0.327,466 -0.935,467 1.652,468 -0.508,469 -1.454,470 -1.643,472 -3.643,473 -1.357,474 8.733,475 0.46,476 0.568,477 0.03,478 21.25,479 1.118,480 8.5,481 0.447,482 12.75,483 0.671,484 15.779,485 0.83,486 21.867,487 0.607,488 13.916,489 0.732,490 4.012,491 0.211,492 5.092,493 0.268,494 0.153,495 0.057,496 0.286,501 0.823,502 1.384,503 0.77,504 1.274,505 0.657,506 1.045,507 0.803,508 0.917,509 0.79,510 0.921,511 0.514,512 0.863,513 1.134,514 1.101,515 1.046,516 1.128,517 0.839,518 1.074,519 1.137,520 1.011,521 0.997,522 1.006,523 1.008,524 0.98,525 1.385,526 1.016,527 1.197,528 1,529 1.626,530 1.045,531 1.178,532 1.023,533 1.136,534 0.994,535 1.138,536 1.048,537 0.535,538 1.267,539 0.796,540 1.164,541 0.941,542 1.066,543 1.328,544 0.817,545 1.325,546 0.822,547 2.553,548 1.007,549 5.5,550 0.032,551 2.444,552 1.819,553 1.134,554 0.382,555 0.42,556 0.196,557 0.161,558 0.05,559 3098,560 8398,561 2.069,562 47.2,563 3,564 7,565 1,567 1,569 3,570 2,572 1.603,573 1.916,574 2.95,575 -0.249,577 1,578 1,579 1,582 55.327,583 1.537,584 3.458,585 4.385,586 4.684,587 4.739,588 4.739,589 2.465,590 4.037,591 4.217,592 3.084,593 527.343,594 7.184,595 5028.75,596 1,597 1,599 1,600 186.117,601 1.638,602 4.16,603 0.262,604 0.016,605 0.079,606 0.061,607 0.047,608 0.02,609 0.03,610 0.014,611 0.016,612 0.008,613 0.553,614 0.83,615 1,616 1.538,617 81.296,618 -0.049,619 -0.152,620 0.069,621 -0.114,622 -0.067,623 -0.009,624 0.226,625 0.182,626 0.148,627 0.127,628 0.217,629 0.119,630 -0.154,631 -0.066,632 -0.107,633 -0.098,634 -0.082,635 -0.089,636 -0.13,637 -0.079,638 -0.016,639 -0.031,640 -0.03,641 -0.003,642 -0.155,643 -0.064,644 -0.184,645 -0.058,646 -0.204,647 -0.117,648 -0.07,649 -0.074,650 -0.139,651 -0.045,652 -0.149,653 -0.1,654 0.266,655 -0.271,656 0.15,657 -0.189,658 0.211,659 -0.077,660 -0.093,661 0.187,662 -0.283,663 0.02,664 -0.293,665 -0.138,666 2.107,667 4.43,668 0.632,669 12.161,670 1.013,671 1.129,672 1.613,673 2.601,674 0.637,675 3.091,676 3.466,677 3.738,678 4.06,679 4.29,680 4.407,681 4.522,682 4.522,683 4.615,684 4.554,685 4.708,686 0.614,687 263.32,688 3.091,689 4.654,690 5.517,691 6.435,692 7.324,693 8.25,694 9.153,695 10.082,696 10.994,697 11.925,698 2.8,705 1,715 3,720 3,722 6,737 1,739 1,741 36,743 7,744 1,745 21,747 38,748 14,749 6,750 3,751 3,756 3,757 6,763 2,764 1,766 1,767 1,770 1,772 7,773 7,777 1,782 1,786 1,789 1,790 1,793 17,794 5,795 1,796 5,802 1,808 0.333,809 4,815 1,828 1,829 2,830 1,833 1,834 1,858 1,859 1,864 2,868 19,876 3,877 1,878 3,880 1,882 1,893 11.1,896 1,897 1,898 2,901 9.917,902 7,903 4.111,904 2.285,907 1.321,908 1.195,909 0.935,910 3.149,911 8.084,912 3.258,913 3.795,914 4.266,915 4.807,916 5.296,917 5.519,918 5.853,919 6.021,920 6.191,921 6.169,922 1,923 30,924 7.048,926 3.039,927 0.026,929 7.803,931 13.458,933 11.265,936 2.303,937 43.75,938 0.001,941 188.338,942 76.106,943 18.011,945 58.145,948 76.106,949 246.482,950 18.011,951 17.65,952 27.243,953 28.788,954 36.145,955 35.672,956 18.534,957 176.567,959 188.338,960 94.117,961 58.145,964 129.482,965 106,966 11,967 0.36,968 44.894,969 48.864,972 188.338,973 76.155,974 76.106,977 188.697,978 29.668,979 46.079,980 18.011,981 58.145,982 188.338,983 76.155,984 76.106,986 0.588,987 0.338,988 0.187,989 0.098,990 17,991 7,992 0.079,993 3,994 3,995 1.417,996 3.099,997 144.762,998 0.5,999 11,1000 80.711,1005 12.758,1006 4.689,1007 2.303,1009 76.155,1010 5.445,1015 2.391,1017 18.011,1018 340.599,1019 25,1024 11.43,1028 -0.44,1031 36.48,1032 40.658,1034 0.297,1035 0.669,1036 0.848,1037 0.906,1038 0.917,1039 0.917,1040 4.549,1041 0.74,1042 5.565,1043 1.869,1044 4.143,1045 4.477,1046 2.637,1047 6.472,1048 4.068,1049 5.757,1050 0.239,1051 7.188,1052 1.714,1053 4.007,1054 4.425,1055 1.784,1056 7.823,1057 3.947,1058 7.093,1059 -0.312,1060 8.929,1061 0.607,1062 5.883,1063 6.571,1064 3.7,1065 10.903,1066 5.762,1067 8.462,1068 -0.546,1069 10.745,1070 -0.698,1071 6.553,1072 7.272,1073 3.59,1074 13.104,1075 6.456,1076 9.867,1077 -0.648,1078 12.615,1079 -1.162,1080 7.985,1081 8.989,1082 5.007,1083 15.834,1084 7.854,1085 11.295,1086 -0.867,1087 14.523,1088 -1.813,1089 9.004,1090 10.034,1091 5.289,1092 18.324,1093 8.891,1094 12.743,1095 -1,1096 16.46,1097 -2.686,1098 10.301,1099 11.587,1100 6.433,1101 20.97,1102 10.171,1103 3.537,1104 -1.454,1105 18.419,1106 -2.885,1107 11.466,1108 12.805,1109 6.93,1110 23.548,1111 11.343,1112 2.65,1113 13.68,1114 20.394,1115 -3.643,1116 12.728,1117 14.286,1118 7.922,1119 26.173,1120 12.596,1121 2.364,1122 8.146,1123 22.383,1124 4.105,1125 13.951,1126 15.594,1127 8.539,1128 28.777,1129 13.819,1130 2.248,1131 7.179,1132 24.38,1133 3.232,1134 15.208,1135 17.04,1136 9.444,1137 31.396,1138 15.068,1139 1.924,1140 6.712,1141 26.384,1142 2.839,1143 16.454,1144 18.396,1145 10.13,1146 34.008,1147 16.309,1148 1.14,1149 5.322,1150 28.394,1151 2.536,1152 17.711,1153 19.825,1154 10.985,1155 36.625,1156 17.559,1157 1.025,1158 3.149,1159 30.408,1160 2.272,1161 18.967,1162 21.207,1163 11.71,1164 39.24,1165 18.807,1166 3085,1167 5159,1168 13.811,1169 22.915,1170 31.995,1171 33.211,1172 33.068,1173 31.629,1174 31.733,1175 37.328,1176 8.951,1177 96.758,1178 30.464,1179 5.611,1180 5.814,1181 7.348,1182 5.6,1183 5.537,1184 7.105,1185 3.889,1186 21.662,1187 5.502,1188 9.028,1189 1.524,1190 1.581,1191 1.575,1192 1.506,1193 1.511,1194 1.778,1195 0.426,1196 4.608,1197 1.451,1198 4.043,1199 4.056,1200 3.99,1201 3.945,1202 7.435,1203 3.952,1204 3.686,1205 3.722,1206 3.606,1207 3.52,1208 4.949,1209 3.528,1210 3.571,1211 3.635,1212 3.447,1213 3.359,1214 4.628,1215 3.366,1216 3.201,1217 3.232,1218 3.064,1219 2.933,1220 4.279,1221 2.961,1222 3.132,1223 3.192,1224 2.971,1225 2.872,1226 4.144,1227 2.896,1228 2.843,1229 2.921,1230 2.677,1231 2.647,1232 3.952,1233 2.631,1234 2.771,1235 2.853,1236 2.578,1237 2.556,1238 3.752,1239 2.564,1240 2.679,1241 2.732,1242 2.485,1243 2.514,1244 3.508,1245 2.494,1246 0.222,1247 0.182,1248 0.361,1249 0.216,1250 0.168,1251 4.664,1252 0.195,1253 3.814,1254 0.104,1255 7.576,1256 0.651,1257 4.528,1258 0.167,1259 3.537,1260 4.105,1261 2.186,1262 13.68,1263 3.502,1264 1.946,1265 1.93,1266 2.048,1267 2.045,1268 1.352,1269 2.044,1270 1.572,1271 1.519,1272 1.844,1273 1.828,1274 0.989,1275 1.829,1276 1.521,1277 1.45,1278 1.752,1279 1.685,1280 0.92,1281 1.71,1282 1.294,1283 1.265,1284 1.541,1285 1.603,1286 0.772,1287 1.575,1288 1.043,1289 1.02,1290 1.327,1291 1.385,1292 0.455,1293 1.348,1294 0.882,1295 0.767,1296 1.25,1297 1.188,1298 0.223,1299 1.242,1300 0.802,1301 0.743,1302 1.093,1303 1.009,1304 0.168,1305 1.036,1306 0.644,1307 0.598,1308 0.902,1309 0.879,1310 0.003,1311 0.896,1312 3.761,1314 5.118,1315 2.398,1316 6.676,1317 4.844,1318 8.337,1319 7.034,1320 10.059,1322 3.989,1328 2.014,1329 2.6,1330 16.523,1332 -0.146,1334 -0.057,1340 22.095,1341 55.327,1342 124.502,1343 157.853,1344 168.608,1345 170.608,1346 170.608,1347 28.232,1348 6.763,1349 56.79,1350 56.79,1351 17,1352 12.43,1353 3,1354 2.322,1355 27.862,1356 54,1357 63,1358 0.269,1359 133.953,1360 238.38,1361 318.605,1362 6472,1364 13.458,1365 0.708,1366 0.582,1367 13.458,1368 11.064,1369 9.104,1370 0.434,1371 0.309,1372 6.363,1373 8.595,1374 6.183,1375 5.108,1376 9.104,1377 6.491,1378 8.674,1379 0.28,1380 0.168,1381 8.674,1382 5.201,1383 7.029,1384 0.171,1385 0.088,1386 7.029,1387 3.596,1388 6.213,1389 0.109,1390 0.046,1391 6.213,1392 2.602,1393 4.843,1394 0.067,1395 0.024,1396 4.843,1397 1.7,1398 0.408,1399 58.199,1400 0.269,1401 18.716,1402 0.774,1403 104,1404 339.275,1405 120.445,1406 308.283,1407 419.13,1408 290,1409 124,1410 308.508,1411 138.953,1412 303.546,1413 453,1414 285,1415 6.081}
{0 CHEMBL362711,1 1.406,2 13.188,3 4.703,4 22.122,5 131.463,6 6.859,7 0.457,8 4.255,9 4.371,10 3.796,11 3.829,12 5.218,13 3.76,14 4.848,15 5.035,16 4.169,17 4.262,18 5.702,19 4.163,20 5.15,21 5.356,22 4.286,23 4.483,24 5.993,25 4.342,26 5.366,27 5.627,28 4.244,29 4.544,30 6.114,31 4.37,32 5.361,33 5.628,34 4.193,35 4.506,36 6.14,37 4.325,38 5.269,39 5.523,40 4.078,41 4.476,42 6.068,43 4.266,44 5.206,45 5.482,46 3.987,47 4.352,48 6.015,49 4.141,50 4.962,51 5.191,52 3.903,53 4.195,54 5.855,55 4.026,56 0.051,57 0.885,58 15.971,59 7.067,60 10.131,61 9.209,62 0.266,63 1.525,64 31.213,65 11.989,66 20.278,67 15.684,68 0.39,69 2.007,70 43.481,71 17.012,72 35.964,73 22.406,74 0.384,75 2.374,76 54.421,77 20.51,78 40.226,79 27.638,80 0.486,81 2.305,82 54.063,83 19.997,84 53.928,85 26.829,86 0.397,87 2.165,88 52.359,89 20.081,90 48.096,91 26.006,92 0.516,93 1.994,94 49.797,95 18.453,96 59.176,97 24.433,98 0.321,99 1.573,100 36.571,101 13.958,102 47.624,103 18.034,104 21,105 49,106 0.224,107 0.513,108 0.733,109 0.829,110 0.85,111 0.855,112 3.502,113 1.075,114 -1.6,115 -1.67,116 -1.7,121 40.9,123 5,124 1,126 3,127 3,144 8,145 2,146 2,154 2,159 1,176 13,180 3,187 16,189 3,191 1,192 6,200 11,203 4,206 6,214 7,216 4,219 5,227 13,229 1,232 1,234 1,239 16,243 2,244 2,251 17,253 2,256 3,264 9,266 1,269 6,277 6,279 2,281 1746,282 21.756,283 21.756,284 21.756,285 21.756,286 21.756,287 19.804,288 21.51,289 12.784,290 22.371,291 17.17,292 17.17,293 17.17,294 17.17,295 17.17,296 14.062,297 24.407,298 5.933,299 18.011,300 4.638,301 2.821,302 1.44,303 0.834,304 0.701,305 0.671,306 4.198,312 1,313 910,314 3.674,317 73.498,318 206.265,320 136.878,321 140.367,325 2.023,326 22.431,329 1,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.98,337 67.5,338 422,339 4.565,340 3.675,341 6.994,342 4.207,343 3.292,344 4.502,345 1.277,346 11.905,347 3.018,348 4.316,349 3.621,350 6.438,351 4.069,352 3.122,353 3.576,354 1.26,355 10.107,356 2.954,357 4.089,358 3.241,359 6.08,360 3.744,361 2.772,362 3.529,363 0.86,364 8.816,365 2.705,366 3.803,367 2.719,368 5.742,369 3.46,370 2.491,371 3.15,372 0.86,373 7.693,374 2.415,375 3.735,376 2.591,377 5.314,378 3.389,379 2.402,380 3.061,381 0.245,382 6.813,383 2.343,384 3.342,385 2.375,386 5.26,387 3.161,388 2.173,389 2.471,391 6.605,392 2.131,393 3.178,394 2.215,395 4.717,396 2.698,397 1.771,398 2.39,400 5.118,401 1.628,402 2.875,403 1.652,404 4.024,405 2.522,406 1.528,407 2.03,409 3.313,410 1.517,411 2.636,412 1.564,413 3.943,414 2.434,415 1.436,416 1.608,418 3.069,419 1.432,420 2.5,421 1.518,422 3.882,423 2.116,424 1.137,425 1.5,427 3.067,428 1.089,429 2.499,430 1.427,431 3.717,432 2,433 1.136,434 1.476,436 2.841,437 1,438 2.399,439 1.003,440 3.352,441 1.978,442 1,443 1.376,445 2.136,446 0.94,447 1.631,448 1,449 3.247,450 1.569,451 0.582,452 0.6,454 1.38,455 0.573,456 1.554,457 0.822,458 3.155,459 1.346,460 0.378,461 0.404,463 0.825,464 0.351,465 1.486,466 0.589,467 2.887,468 1.208,469 0.333,470 0.353,472 0.484,473 0.297,474 15.733,475 0.492,476 0.766,477 0.024,478 36.25,479 1.133,480 16.5,481 0.516,482 19.75,483 0.617,484 34.902,485 1.091,486 35.567,487 0.539,488 26.183,489 0.818,490 6.745,491 0.211,492 8.747,493 0.273,494 0.117,495 0.025,496 0.254,501 0.785,502 1.291,503 0.838,504 1.091,505 0.587,506 1.052,507 1.244,508 0.883,509 0.919,510 0.814,511 0.679,512 0.861,513 0.788,514 1.158,515 1.027,516 1.127,517 0.84,518 1.115,519 0.757,520 1.044,521 0.916,522 1.019,523 0.809,524 0.998,525 1.013,526 0.911,527 0.889,528 0.893,529 1.093,530 0.936,531 0.756,532 1.077,533 1.214,534 1.18,535 1.362,536 1.111,537 0.471,538 1.006,539 1.058,540 1.097,541 0.859,542 0.979,543 1.252,544 1.04,545 1.11,546 1.039,547 1.869,548 1.069,549 7.5,550 0.132,551 3.333,552 2.354,553 2.201,554 0.876,555 0.822,556 0.421,557 0.28,558 0.298,559 14900,560 32418,561 2.074,562 51.5,563 5,564 23,568 2,569 4,572 1.743,573 1.949,574 3.696,575 -0.836,582 92.819,583 1.406,584 3.223,585 4.605,586 5.211,587 5.343,588 5.374,589 3.129,590 4.25,591 4.972,592 3.855,593 1912.14,594 8.684,595 28424.1,600 398.93,601 1.478,602 4.929,603 0.214,604 0.005,605 0.068,606 0.045,607 0.045,608 0.019,609 0.021,610 0.011,611 0.008,612 0.01,613 0.447,614 0.33,615 1,616 0.781,617 169.665,618 0.03,619 -0.131,620 0.087,621 -0.026,622 0.028,623 0.003,624 -0.132,625 0.23,626 0.074,627 0.193,628 0.022,629 0.131,630 0.075,631 -0.103,632 -0.035,633 -0.098,634 0.041,635 -0.103,636 0.032,637 -0.059,638 0.036,639 -0.05,640 0.041,641 -0.01,642 -0.041,643 0.053,644 0.05,645 0.049,646 -0.01,647 0.034,648 0.002,649 -0.083,650 -0.111,651 -0.104,652 -0.103,653 -0.097,654 0.238,655 -0.042,656 0.033,657 -0.042,658 0.169,659 0.029,660 -0.13,661 -0.046,662 -0.09,663 -0.029,664 -0.168,665 -0.08,666 1.396,667 6.185,668 0.719,669 33.953,670 0.988,671 1.12,672 0.368,673 0.135,674 0.66,675 3.584,676 3.912,677 4.159,678 4.407,679 4.625,680 4.71,681 4.868,682 4.949,683 4.905,684 4.942,685 7.704,686 0.607,687 452.69,688 3.584,689 5.13,690 5.974,691 6.855,692 7.717,693 8.603,694 9.473,695 10.36,696 11.235,697 12.123,698 1.5,712 1,714 2,715 8,719 1,720 4,722 16,727 1,739 2,741 66,743 17,744 2,745 35,747 69,748 27,749 14,750 5,751 7,752 1,756 4,757 5,767 4,768 1,770 5,772 15,773 12,774 1,777 1,782 1,786 1,793 34,794 3,796 5,797 1,802 1,803 1,807 1,808 0.75,809 3,828 1,829 2,831 1,832 1,859 3,862 1,864 3,868 32,876 8,878 2,880 1,883 1,888 1,893 4.5,896 1,898 2,901 16.417,902 12.667,903 7.125,904 4.215,907 2.759,908 1.349,909 0.952,910 7.523,911 10.656,912 3.807,913 4.379,914 4.928,915 5.498,916 6.027,917 6.33,918 6.688,919 7.043,920 6.96,921 6.909,922 0.889,923 52,924 11.914,926 4.997,927 0.026,929 7.51,931 23.6,933 19.833,936 2.01,937 64.333,941 400.217,942 179.723,945 47.145,947 31.278,948 148.445,949 447.362,951 30.162,952 18.99,953 75.81,954 30.278,955 38.245,956 2.104,957 431.495,959 400.217,960 148.445,961 47.145,962 31.278,964 353.133,965 94.229,968 18.99,969 129.456,971 31.278,972 400.217,973 47.145,974 179.723,977 400.217,978 73.751,979 105.972,981 47.145,982 400.217,983 47.145,984 179.723,986 0.578,987 0.34,988 0.182,989 0.101,990 23,991 10,992 0.101,993 7,994 1,995 1.087,996 4.3,997 289.102,998 0.087,999 23,1000 156,1001 1,1005 23.256,1006 10.352,1007 5.728,1008 2.108,1009 47.145,1010 16.749,1014 1.565,1015 3.654,1018 627.085,1019 44,1024 13.185,1028 0.27,1031 65.24,1032 73.897,1034 0.233,1035 0.533,1036 0.762,1037 0.862,1038 0.884,1039 0.889,1040 5.056,1041 1.528,1042 5.979,1043 5.118,1044 4.595,1045 5.066,1046 2.271,1047 6.808,1048 4.505,1049 6.258,1050 1.436,1051 7.552,1052 3.313,1053 4.29,1054 4.924,1055 0.931,1056 7.936,1057 4.122,1058 7.574,1059 1.137,1060 9.232,1061 3.069,1062 6.252,1063 7.251,1064 2.428,1065 10.935,1066 6.061,1067 8.925,1068 1.136,1069 10.977,1070 3.067,1071 6.77,1072 7.934,1073 1.381,1074 12.881,1075 6.471,1076 10.309,1077 1,1078 12.763,1079 2.841,1080 8.214,1081 9.765,1082 2.737,1083 15.46,1084 7.895,1085 11.713,1086 0.582,1087 14.579,1088 2.136,1089 9.09,1090 10.841,1091 1.783,1092 17.715,1093 8.655,1094 13.135,1095 0.378,1096 16.416,1097 1.38,1098 10.347,1099 12.473,1100 3.126,1101 20.186,1102 9.876,1103 3.292,1104 0.333,1105 18.268,1106 0.825,1107 11.382,1108 13.754,1109 2.192,1110 22.562,1111 10.802,1112 3.122,1113 11.905,1114 20.133,1115 0.484,1116 12.572,1117 15.302,1118 3.559,1119 25.011,1120 11.938,1121 2.772,1122 10.107,1123 22.008,1124 4.502,1125 13.679,1126 16.691,1127 2.615,1128 27.436,1129 12.945,1130 2.491,1131 8.816,1132 23.891,1133 3.576,1134 14.849,1135 18.206,1136 4.015,1137 29.887,1138 14.047,1139 2.402,1140 7.693,1141 25.781,1142 3.529,1143 15.988,1144 19.65,1145 3.05,1146 32.334,1147 15.093,1148 2.173,1149 6.813,1150 27.678,1151 3.15,1152 17.154,1153 21.153,1154 4.483,1155 34.791,1156 16.183,1157 1.771,1158 6.605,1159 29.579,1160 3.061,1161 18.31,1162 22.626,1163 3.495,1164 37.248,1165 17.249,1166 14174,1167 21155,1168 23.345,1169 43.58,1170 51.828,1171 53.014,1172 53.503,1173 51.507,1174 51.588,1175 64.675,1176 9.005,1177 149.254,1178 49.204,1179 5.565,1180 5.675,1181 6.796,1182 5.325,1183 5.292,1184 7.502,1185 2.555,1186 18.673,1187 5.018,1188 15.12,1189 1.481,1190 1.515,1191 1.529,1192 1.472,1193 1.474,1194 1.848,1195 0.257,1196 4.264,1197 1.406,1198 4.101,1199 4.111,1200 4.34,1201 4.112,1202 7.427,1203 4.063,1204 3.992,1205 4.037,1206 3.906,1207 3.887,1208 4.969,1209 3.883,1210 3.838,1211 3.879,1212 3.734,1213 3.743,1214 4.756,1215 3.733,1216 3.647,1217 3.694,1218 3.622,1219 3.493,1220 4.528,1221 3.497,1222 3.502,1223 3.55,1224 3.456,1225 3.351,1226 4.496,1227 3.342,1228 3.418,1229 3.473,1230 3.258,1231 3.279,1232 4.35,1233 3.256,1234 3.249,1235 3.315,1236 3.084,1237 2.978,1238 4.023,1239 2.984,1240 3.196,1241 3.251,1242 3.055,1243 2.967,1244 3.823,1245 2.969,1246 0.13,1247 0.105,1248 0.2,1249 0.12,1250 0.094,1251 4.565,1252 0.129,1253 3.675,1254 0.036,1255 6.994,1256 0.34,1257 4.207,1258 0.086,1259 3.292,1260 4.502,1261 1.277,1262 11.905,1263 3.018,1264 1.961,1265 1.917,1266 2.135,1267 2.124,1268 1.521,1269 2.131,1270 1.908,1271 1.903,1272 2.021,1273 1.988,1274 1.257,1275 1.988,1276 1.856,1277 1.815,1278 1.962,1279 1.96,1280 1.14,1281 1.979,1282 1.644,1283 1.612,1284 1.83,1285 1.814,1286 1.121,1287 1.827,1288 1.491,1289 1.429,1290 1.762,1291 1.676,1292 1.024,1293 1.71,1294 1.41,1295 1.36,1296 1.592,1297 1.56,1298 0.788,1299 1.581,1300 1.224,1301 1.177,1302 1.573,1303 1.519,1304 0.609,1305 1.536,1306 1.188,1307 1.111,1308 1.512,1309 1.476,1310 0.583,1311 1.51,1312 4.263,1314 5.587,1315 2.398,1316 7.094,1317 4.727,1318 8.685,1319 6.843,1320 10.322,1322 5.66,1328 8.778,1330 10.835,1332 0.463,1335 1.067,1340 40.045,1341 92.819,1342 212.719,1343 303.91,1344 343.91,1345 352.665,1346 354.665,1347 59.928,1348 7.897,1349 35.53,1350 63.77,1351 25,1352 12.656,1353 4.17,1354 3.322,1355 52.047,1356 150,1357 140,1358 0.168,1359 248.149,1360 429.6,1361 597.243,1362 32434,1364 22.554,1365 0.705,1366 0.634,1367 22.907,1368 20.302,1369 15.492,1370 0.443,1371 0.358,1372 11.644,1373 14.532,1374 11.195,1375 9.351,1376 15.901,1377 12.539,1378 13.942,1379 0.285,1380 0.218,1381 14.584,1382 10.69,1383 11.619,1384 0.184,1385 0.13,1386 12.456,1387 8.183,1388 9.516,1389 0.117,1390 0.076,1391 10.378,1392 6.165,1393 7.76,1394 0.077,1395 0.046,1396 8.599,1397 4.687,1398 0.269,1399 100.626,1400 0.207,1401 30.168,1402 0.448,1403 168,1404 408.4,1405 203.926,1406 411.841,1407 563.52,1408 388,1409 196,1410 391.442,1411 231.853,1412 418.328,1413 607.73,1414 390,1415 6.96}
{0 CHEMBL362752,1 1.561,2 13.379,3 4.45,4 19.805,5 121.088,6 8.049,7 0.531,8 4.061,9 4.152,10 3.781,11 3.711,12 5.113,13 3.635,14 4.605,15 4.752,16 4.125,17 4.115,18 5.565,19 4.01,20 4.781,21 4.94,22 4.125,23 4.193,24 5.784,25 4.067,26 4.874,27 5.07,28 4.045,29 4.174,30 5.826,31 4.032,32 4.875,33 5.102,34 4.002,35 4.126,36 5.789,37 3.976,38 4.751,39 4.951,40 3.895,41 4.071,42 5.723,43 3.895,44 4.697,45 4.936,46 3.707,47 3.942,48 5.613,49 3.735,50 4.523,51 4.769,52 3.572,53 3.747,54 5.388,55 3.601,56 0.007,57 0.688,58 11.035,59 5.572,60 7.831,61 6.615,62 0.202,63 1.198,64 25.154,65 10.125,66 20.163,67 11.353,68 0.303,69 1.394,70 30.071,71 12.156,72 33.003,73 14.108,74 0.266,75 1.524,76 35.366,77 13.415,78 38.26,79 15.875,80 0.325,81 1.491,82 35.285,83 13.399,84 40.286,85 16.096,86 0.256,87 1.346,88 32.426,89 12.515,90 39.645,91 14.324,92 0.443,93 1.282,94 33.963,95 12.511,96 48.922,97 14.989,98 0.201,99 1.055,100 24.941,101 9.302,102 24.49,103 11.696,104 14,105 44,106 0.259,107 0.58,108 0.766,109 0.838,110 0.845,111 0.851,112 3.407,113 1.079,114 -4.38,115 -4.31,116 -4.07,121 43.4,123 3,126 2,127 1,129 1,144 5,145 3,146 3,147 2,153 2,158 1,176 7,180 3,187 11,189 3,191 1,192 6,200 7,203 2,206 5,214 5,216 2,219 6,227 8,229 1,239 11,243 2,244 2,246 1,251 7,256 2,264 6,266 2,269 3,277 1,279 1,281 1405,282 19.997,283 19.997,284 19.997,285 19.997,286 19.997,287 17.797,288 24.64,289 11.763,290 20.792,291 15.691,292 15.691,293 15.691,294 15.691,295 15.691,296 12.215,297 29.017,298 5.466,299 16.765,300 4.167,301 2.231,302 1.106,303 0.67,304 0.632,305 0.595,306 4.104,311 1,312 1,313 846,314 3.464,317 166.038,318 192.085,321 133.703,325 2.185,326 21.1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 61.5,338 388,339 4.433,340 4.688,341 6.437,342 4.067,343 3.12,344 4.091,345 3.389,346 10.099,347 2.95,348 4.096,349 3.68,350 6.068,351 3.727,352 2.761,353 3.683,354 1.975,355 8.762,356 2.676,357 3.98,358 3.174,359 5.709,360 3.666,361 2.715,362 3.438,363 0.86,364 7.8,365 2.584,366 3.87,367 2.937,368 5.617,369 3.46,370 2.487,371 3.252,372 0.86,373 7.463,374 2.416,375 3.645,376 2.777,377 5.331,378 3.282,379 2.309,380 2.919,381 0.522,382 6.926,383 2.221,384 3.415,385 2.659,386 4.961,387 2.996,388 2.061,389 2.707,391 5.884,392 1.916,393 3.093,394 2.38,395 4.717,396 2.698,397 1.771,398 2.285,400 5.118,401 1.628,402 2.592,403 2.211,404 4.114,405 2.248,406 1.292,407 1.628,409 3.486,410 1.213,411 2.5,412 2.096,413 3.943,414 2.013,415 1.16,416 1.5,418 2.841,419 0.983,420 2.469,421 1.32,422 3.434,423 1.984,424 1.136,425 1.425,427 2.571,428 0.965,429 2.223,430 1.083,431 3.414,432 1.982,433 1,434 1.204,436 2.275,437 0.943,438 2.118,439 1.053,440 3.065,441 1.539,442 0.618,443 0.927,445 1.372,446 0.536,447 1.827,448 1,449 3,450 1.5,451 0.529,452 0.635,454 1.218,455 0.52,456 1.473,457 0.822,458 2.887,459 1.208,460 0.357,461 0.388,463 0.485,464 0.301,465 1.388,466 0.618,467 2.748,468 1.121,469 0.241,470 0.271,472 0.458,473 0.209,474 14.567,475 0.502,476 0.601,477 0.021,478 36,479 1.241,480 18,481 0.621,482 18,483 0.621,484 26.08,485 0.899,486 30.733,487 0.58,488 24.566,489 0.847,490 6.813,491 0.235,492 7.343,493 0.253,494 0.092,496 0.302,501 0.757,502 1.11,503 0.73,504 0.914,505 0.576,506 0.911,507 1.215,508 0.888,509 1.013,510 0.879,511 0.771,512 0.838,513 0.962,514 1.158,515 1.058,516 1.128,517 1.233,518 1.135,519 1.031,520 1.161,521 1.036,522 1.132,523 1.304,524 1.12,525 1.081,526 0.866,527 0.823,528 0.842,529 0.861,530 0.897,531 1.154,532 1.059,533 1.176,534 1.106,535 1.564,536 1.122,537 0.459,538 0.992,539 1.111,540 1.101,541 0.805,542 1.041,543 0.867,544 0.89,545 0.745,546 0.819,547 0.806,548 0.852,549 6,550 0.18,551 2.889,552 1.639,553 1.627,554 0.869,555 0.591,556 0.38,557 0.166,558 0.141,559 12686,560 33652,561 2.111,562 45.3,563 2,564 14,565 2,566 2,568 2,569 2,572 1.712,573 2,574 3.703,575 -0.785,577 1,582 82.744,583 1.561,584 3.497,585 4.622,586 5.058,587 5.096,588 5.133,589 3.125,590 4.073,591 4.828,592 3.899,593 1583.08,594 8.369,595 22747.3,597 1,600 303.58,601 1.314,602 4.8,603 0.188,604 0.008,605 0.066,606 0.039,607 0.043,608 0.024,609 0.019,610 0.015,611 0.007,612 0.006,613 0.414,614 0.17,615 1,616 0.772,617 151.18,618 0.005,619 -0.082,620 0.082,621 0.014,622 0.006,623 0.017,624 -0.157,625 0.162,626 -0.012,627 0.128,628 -0.06,629 0.107,630 0.035,631 -0.16,632 -0.125,633 -0.162,634 -0.084,635 -0.183,636 -0.046,637 -0.186,638 -0.1,639 -0.178,640 -0.099,641 -0.152,642 -0.05,643 0.083,644 0.074,645 0.077,646 0.046,647 0.08,648 -0.138,649 -0.078,650 -0.145,651 -0.088,652 -0.123,653 -0.138,654 0.323,655 -0.023,656 -0.033,657 -0.054,658 0.237,659 -0.013,660 0.012,661 0.047,662 0.107,663 0.072,664 0.078,665 0.136,666 1.362,667 5.787,668 0.69,669 33.353,670 0.998,671 1.108,672 3.152,673 9.934,674 0.706,675 3.497,676 3.807,677 4.078,678 4.317,679 4.5,680 4.585,681 4.691,682 4.804,683 4.754,684 4.7,685 7.924,686 0.653,687 426.62,688 3.497,689 5.03,690 5.878,691 6.746,692 7.61,693 8.483,694 9.354,695 10.23,696 11.105,697 11.983,698 1.9,708 1,715 9,719 1,720 6,721 1,722 17,739 2,741 53,743 18,744 1,745 32,747 56,748 23,749 15,750 4,751 2,756 4,757 5,767 2,770 4,772 16,773 7,777 1,782 1,786 1,790 1,793 24,794 3,796 6,797 2,802 1,803 1,808 0.75,809 3,822 1,828 2,829 2,832 1,841 1,859 3,860 1,862 2,864 2,868 29,876 4,878 2,879 1,880 1,888 1,893 5.7,896 1,898 2,901 14.5,902 10.167,903 6.5,904 3.083,907 2.892,908 1.377,909 0.981,910 6.682,911 10.565,912 3.75,913 4.321,914 4.851,915 5.358,916 5.791,917 5.971,918 6.231,919 6.527,920 6.651,921 6.722,922 0.889,923 42,924 10.754,926 4.525,927 0.026,929 7.592,931 20.964,933 17.366,936 2.092,937 60.667,940 1,941 282.506,942 202.475,943 1.899,945 47.145,947 63.497,948 138.977,949 329.651,950 1.899,951 21.766,952 9.709,953 62.679,954 55.72,955 61.689,956 23.542,957 298.919,959 282.506,960 140.877,961 47.145,962 63.497,964 258.964,965 70.687,968 27.804,969 111.173,970 1.899,971 63.497,972 282.506,973 49.044,974 202.475,977 282.506,978 99.934,979 104.439,981 47.145,982 282.506,983 49.044,984 202.475,986 0.574,987 0.343,988 0.183,989 0.096,990 21,991 9,992 0.143,993 8,994 1,995 1.1,996 4.235,997 245.298,998 0.1,999 20,1000 136.881,1001 2,1005 20.579,1006 9.416,1007 4.904,1009 47.145,1010 18.813,1014 1.718,1015 6.236,1016 2.164,1018 534.025,1019 41.5,1024 12.787,1028 0.305,1031 52.898,1032 58.741,1034 0.273,1035 0.61,1036 0.807,1037 0.883,1038 0.89,1039 0.896,1040 4.978,1041 1.292,1042 5.849,1043 5.118,1044 4.489,1045 5.007,1046 3.508,1047 6.632,1048 4.374,1049 6.166,1050 1.16,1051 7.39,1052 3.486,1053 4.007,1054 4.732,1055 2.036,1056 7.445,1057 3.883,1058 7.461,1059 1.136,1060 9.023,1061 2.841,1062 6.061,1063 7.14,1064 5.625,1065 10.508,1066 5.865,1067 8.789,1068 1,1069 10.712,1070 2.571,1071 6.415,1072 7.678,1073 4.168,1074 12.127,1075 6.184,1076 10.146,1077 0.618,1078 12.434,1079 2.275,1080 7.894,1081 9.528,1082 7.986,1083 14.684,1084 7.614,1085 11.523,1086 0.529,1087 14.179,1088 1.372,1089 8.628,1090 10.442,1091 6.596,1092 16.651,1093 8.295,1094 12.913,1095 0.357,1096 15.94,1097 1.218,1098 9.878,1099 12.057,1100 10.393,1101 19.033,1102 9.504,1103 3.12,1104 0.241,1105 17.714,1106 0.485,1107 10.798,1108 13.171,1109 9.16,1110 21.166,1111 10.362,1112 2.761,1113 10.099,1114 19.498,1115 0.458,1116 11.954,1117 14.672,1118 12.812,1119 23.484,1120 11.475,1121 2.715,1122 8.762,1123 21.29,1124 4.091,1125 12.968,1126 15.9,1127 11.751,1128 25.699,1129 12.425,1130 2.487,1131 7.8,1132 23.089,1133 3.683,1134 14.089,1135 17.346,1136 15.235,1137 27.997,1138 13.499,1139 2.309,1140 7.463,1141 24.893,1142 3.438,1143 15.151,1144 18.64,1145 14.332,1146 30.254,1147 14.497,1148 2.061,1149 6.926,1150 26.703,1151 3.252,1152 16.262,1153 20.058,1154 17.659,1155 32.549,1156 15.556,1157 1.771,1158 5.884,1159 28.517,1160 2.919,1161 17.35,1162 21.393,1163 16.895,1164 34.827,1165 16.582,1166 11931,1167 19550,1168 21.671,1169 37.421,1170 47.337,1171 50.426,1172 48.39,1173 46.951,1174 47.116,1175 60.701,1176 15.211,1177 133.517,1178 44.12,1179 5.371,1180 6.688,1181 6.051,1182 5.184,1183 5.12,1184 7.091,1185 6.716,1186 16.854,1187 4.95,1188 12.491,1189 1.479,1190 1.576,1191 1.512,1192 1.467,1193 1.472,1194 1.897,1195 0.475,1196 4.172,1197 1.379,1198 4.033,1199 4.065,1200 4.212,1201 3.987,1202 7.426,1203 3.958,1204 3.968,1205 3.986,1206 4.133,1207 3.93,1208 4.923,1209 3.891,1210 3.804,1211 3.819,1212 3.88,1213 3.795,1214 4.802,1215 3.752,1216 3.627,1217 3.651,1218 3.622,1219 3.491,1220 4.616,1221 3.492,1222 3.373,1223 3.424,1224 3.357,1225 3.215,1226 4.495,1227 3.199,1228 3.247,1229 3.313,1230 3.089,1231 2.959,1232 4.334,1233 2.963,1234 3.144,1235 3.208,1236 3.064,1237 2.952,1238 3.934,1239 2.943,1240 2.982,1241 3.061,1242 2.886,1243 2.814,1244 3.684,1245 2.78,1246 0.139,1247 0.146,1248 0.201,1249 0.127,1250 0.098,1251 4.433,1252 0.128,1253 4.688,1254 0.106,1255 6.437,1256 0.316,1257 4.067,1258 0.092,1259 3.12,1260 4.091,1261 3.389,1262 10.099,1263 2.95,1264 1.938,1265 1.897,1266 2.063,1267 2.081,1268 1.28,1269 2.078,1270 1.868,1271 1.859,1272 1.951,1273 1.965,1274 1.177,1275 1.96,1276 1.661,1277 1.63,1278 1.818,1279 1.813,1280 1.073,1281 1.824,1282 1.532,1283 1.504,1284 1.681,1285 1.638,1286 0.938,1287 1.661,1288 1.324,1289 1.323,1290 1.582,1291 1.527,1292 0.743,1293 1.545,1294 1.279,1295 1.227,1296 1.573,1297 1.511,1298 0.576,1299 1.533,1300 1.193,1301 1.131,1302 1.473,1303 1.398,1304 0.574,1305 1.451,1306 1.172,1307 1.099,1308 1.315,1309 1.305,1310 0.562,1311 1.404,1312 4.174,1314 5.485,1315 3.045,1316 6.978,1317 5.283,1318 8.555,1319 7.286,1320 10.179,1322 3.273,1328 2.98,1330 10.765,1331 1.644,1332 -0.019,1340 34.598,1341 82.744,1342 185.328,1343 244.951,1344 268.07,1345 270.07,1346 272.07,1347 48.128,1348 7.673,1349 39.41,1350 92.95,1351 22,1352 12.521,1353 4.248,1354 3.392,1355 45.144,1356 139,1357 126,1358 0.156,1359 217.983,1360 376.27,1361 523.638,1362 24886,1364 20.217,1365 0.697,1366 0.63,1367 20.924,1368 18.276,1369 14.157,1370 0.442,1371 0.36,1372 9.723,1373 12.727,1374 9.256,1375 7.663,1376 15.065,1377 11.514,1378 12.387,1379 0.282,1380 0.21,1381 13.527,1382 9.241,1383 10.747,1384 0.185,1385 0.127,1386 12.117,1387 7.352,1388 8.671,1389 0.117,1390 0.075,1391 10.107,1392 5.583,1393 6.735,1394 0.076,1395 0.042,1396 7.814,1397 3.699,1398 0.255,1399 97.442,1400 0.215,1401 28.287,1402 0.402,1403 152,1404 419.26,1405 206.507,1406 440.6,1407 597.27,1408 416,1409 178,1410 396.438,1411 227.719,1412 432.126,1413 626.41,1414 403,1415 8.221}
{0 CHEMBL362996,1 1.337,2 11.538,3 4.41,4 19.448,5 98.088,6 8.559,7 0.643,8 3.773,9 3.845,10 3.45,11 3.47,12 5.069,13 3.451,14 4.219,15 4.311,16 3.784,17 3.813,18 5.53,19 3.786,20 4.502,21 4.64,22 3.925,23 3.892,24 6.056,25 3.867,26 4.493,27 4.633,28 3.824,29 3.75,30 6.018,31 3.75,32 4.385,33 4.504,34 3.722,35 3.636,36 5.956,37 3.657,38 4.219,39 4.334,40 3.535,41 3.62,42 5.621,43 3.584,44 4.23,45 4.406,46 3.409,47 3.597,48 5.544,49 3.504,50 4.165,51 4.381,52 3.271,53 3.408,54 5.578,55 3.309,56 0.031,57 0.403,58 5.222,59 3.386,60 10.847,61 3.774,62 0.06,63 0.648,64 8.958,65 5.447,66 23.124,67 6.072,68 0.33,69 0.908,70 15.586,71 7.64,72 81.77,73 8.886,74 0.319,75 0.904,76 16.984,77 7.469,78 71.084,79 7.544,80 0.451,81 0.795,82 15.722,83 6.391,84 109.507,85 5.271,86 0.272,87 0.667,88 11.475,89 5.475,90 69.111,91 5.163,92 0.232,93 0.716,94 12.745,95 6.141,96 56.944,97 7.565,98 0.32,99 0.7,100 14.014,101 6.06,102 79.944,103 8.003,104 17,105 38,106 0.231,107 0.356,108 0.415,109 0.533,110 0.609,111 0.626,112 3.304,113 0.853,114 -4.54,115 -4.46,116 -4.2,121 55,144 14,145 4,159 4,176 18,180 4,187 18,191 2,192 12,200 11,206 16,214 8,219 12,227 16,232 4,239 20,243 1,251 16,255 2,256 2,264 8,268 1,269 6,277 3,281 904,282 17.518,283 17.518,284 17.518,285 17.518,286 17.518,287 15.051,288 3.495,289 10.418,290 17.424,291 13.737,292 13.737,293 13.737,294 13.737,295 13.737,296 9.918,297 1.179,298 4.899,299 13.512,300 3.985,301 3.265,302 2.92,303 2.238,304 1.8,305 1.7,306 3.982,311 1,312 1,313 638,314 3.742,318 296.054,325 1.882,326 41.867,328 1,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 56,338 300,339 4.426,340 3.844,341 6.544,342 4.107,343 3.075,344 3.993,346 10.09,347 3.168,348 4.34,349 3.828,350 6.508,351 4.034,352 2.997,353 3.839,355 9.957,356 3.102,357 3.984,358 3.009,359 5.758,360 3.576,361 2.567,362 3.567,364 7.767,365 2.587,366 3.773,367 2.956,368 5.634,369 3.376,370 2.363,371 3.232,373 7.326,374 2.392,375 3.357,376 2.249,377 4.662,378 2.877,379 1.85,380 2.685,382 4.695,383 1.893,384 3.148,385 2.16,386 4.459,387 2.685,388 1.666,389 2.383,391 4.113,392 1.694,393 2.816,394 2.149,395 3.702,396 2.332,397 1.308,398 1.901,400 2.961,401 1.335,402 2.64,403 1.667,404 3.602,405 2.143,406 1.117,407 1.647,409 2.725,410 1.141,411 2.5,412 1.323,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.5,421 1.323,422 3.247,423 2,424 1,425 1.5,427 2.136,428 1,429 2.5,430 1,431 3.247,432 2,433 1,434 1.5,436 2.136,437 1,438 2.283,439 1,440 3.2,441 1.649,442 0.546,443 0.877,445 1.271,446 0.596,447 2.175,448 1,449 3,450 1.492,451 0.367,452 0.626,454 0.839,455 0.409,456 0.961,457 0.038,458 2.284,459 0.492,460 -0.558,461 -0.811,463 -1.26,464 -0.582,465 0.75,466 -0.182,467 2.079,468 0.28,469 -0.75,470 -1.097,472 -1.609,473 -0.77,474 12.333,475 0.474,476 0.597,477 0.023,478 39,479 1.5,480 24,481 0.923,482 15,483 0.577,484 14.814,485 0.57,486 25.467,487 0.637,488 31.013,489 1.193,490 8.17,491 0.314,492 4.406,493 0.169,494 0.108,496 0.324,501 0.47,502 0.844,503 0.637,504 0.842,505 0.521,506 0.792,507 0.599,508 1.074,509 0.811,510 1.072,511 0.652,512 1.008,513 0.671,514 1.087,515 0.795,516 1.077,517 0.671,518 0.99,519 1.485,520 1.081,521 1.03,522 1.047,523 1.438,524 0.961,525 2.118,526 0.812,527 1.243,528 0.78,529 2.079,530 0.806,531 1.438,532 0.984,533 1.305,534 0.995,535 1.447,536 1.092,537 0.513,538 1.098,539 1.036,540 1.13,541 0.548,542 1.185,543 0.339,544 0.983,545 0.821,546 1.005,547 0.373,548 1.019,549 4,550 0.141,551 3.556,552 2.125,553 1.484,554 0.833,555 0.323,556 0.285,557 0.262,558 0.18,559 8286,560 25823,561 2.037,562 35,564 14,572 1.687,573 1.902,574 3.508,575 -0.836,577 1,582 53.467,583 1.337,584 2.057,585 2.402,586 3.084,587 3.522,588 3.622,589 2.931,590 2.873,591 4.672,592 3.647,593 1185.41,594 8.074,595 15091.2,597 1,599 1,600 212.877,601 1.42,602 4.628,603 0.143,604 0.008,605 0.094,606 0.052,607 0.041,608 0.025,609 0.012,610 0.012,611 0.013,612 0.01,613 0.409,614 0.17,615 1,616 0.596,617 128.652,618 0.001,619 0.039,620 0.018,621 0.039,622 -0.046,623 0.034,624 -0.003,625 -0.174,626 -0.079,627 -0.173,628 -0.051,629 -0.15,630 0.232,631 -0.13,632 0.134,633 -0.12,634 0.236,635 -0.039,636 -0.163,637 -0.092,638 -0.004,639 -0.076,640 -0.113,641 -0.02,642 -0.412,643 0.193,644 -0.2,645 0.183,646 -0.37,647 0.072,648 -0.292,649 -0.026,650 -0.401,651 -0.057,652 -0.302,653 -0.209,654 0.14,655 -0.132,656 -0.072,657 -0.142,658 0.099,659 -0.153,660 0.384,661 0.022,662 0.274,663 0.031,664 0.347,665 0.105,666 2.329,667 5.28,668 0.692,669 24.828,670 1.012,671 1.094,672 3.309,673 10.952,674 0.729,675 3.367,676 3.664,677 3.932,678 4.078,679 4.234,680 4.174,681 4.29,682 4.29,683 4.29,684 4.29,685 6.725,686 0.714,687 342.36,688 3.367,689 4.89,690 5.733,691 6.586,692 7.441,693 8.299,694 9.158,695 10.019,696 10.88,697 11.742,715 14,720 4,722 18,727 4,741 40,743 22,744 3,745 28,747 42,748 22,749 18,750 4,751 14,752 4,756 3,757 3,772 22,777 4,782 4,786 4,790 1,793 14,794 4,796 4,808 1,809 4,829 3,859 3,868 26,893 10,896 4,901 13.667,902 7.333,903 5.833,904 2.319,907 2.964,908 1.429,909 0.985,910 4.962,911 9.868,912 3.738,913 4.297,914 4.896,915 5.343,916 5.823,917 5.883,918 6.268,919 6.377,920 6.551,921 6.849,922 0.875,923 41,924 9.7,926 4.272,927 0.026,929 8.167,931 17.608,933 14.153,936 2.667,937 69.333,940 1,941 164.795,942 165.944,945 100.58,948 165.944,949 265.375,953 132.667,954 121.114,955 12.742,957 164.795,959 164.795,960 165.944,961 100.58,964 164.795,965 100.58,969 165.944,972 164.795,973 100.58,974 165.944,977 164.795,978 33.276,979 132.667,981 100.58,982 164.795,983 100.58,984 165.944,986 0.578,987 0.351,988 0.175,989 0.088,990 17,991 8,992 0.143,993 6,995 1,996 3.807,997 209.111,999 18,1000 84.211,1005 17.195,1006 7.502,1007 3.735,1009 100.58,1010 22.022,1015 0.943,1018 431.319,1019 41,1024 48.934,1028 -2.566,1031 40.494,1032 43.744,1034 0.251,1035 0.386,1036 0.451,1037 0.58,1038 0.662,1039 0.681,1040 4.938,1041 1.117,1042 5.707,1043 2.961,1044 4.344,1045 4.984,1047 6.5,1048 4.385,1049 6.144,1050 1,1051 7.268,1052 2.725,1053 3.892,1054 4.635,1056 7.398,1057 3.985,1058 7.438,1059 1,1060 8.936,1061 2.275,1062 5.922,1063 7.132,1065 10.504,1066 6.008,1067 8.772,1068 1,1069 10.667,1070 2.136,1071 6.33,1072 7.615,1074 12.215,1075 6.483,1076 10.139,1077 0.546,1078 12.437,1079 2.136,1080 7.805,1081 9.543,1083 14.834,1084 7.951,1085 11.529,1086 0.367,1087 14.233,1088 1.271,1089 8.59,1090 10.411,1092 16.859,1093 8.8,1094 12.937,1095 -0.558,1096 16.047,1097 0.839,1098 9.845,1099 12.082,1101 19.302,1102 10.06,1103 3.075,1104 -0.75,1105 17.873,1106 -1.26,1107 10.803,1108 13.154,1110 21.468,1111 11.072,1112 2.997,1113 10.09,1114 19.708,1115 -1.609,1116 11.968,1117 14.692,1119 23.837,1120 12.254,1121 2.567,1122 9.957,1123 21.549,1124 3.993,1125 13.005,1126 15.881,1128 26.071,1129 13.337,1130 2.363,1131 7.767,1132 23.396,1133 3.839,1134 14.134,1135 17.345,1137 28.407,1138 14.49,1139 1.85,1140 7.326,1141 25.247,1142 3.567,1143 15.208,1144 18.602,1146 30.676,1147 15.605,1148 1.666,1149 4.695,1150 27.102,1151 3.232,1152 16.324,1153 20.024,1155 32.995,1156 16.749,1157 1.308,1158 4.113,1159 28.959,1160 2.685,1161 17.416,1162 21.324,1164 35.282,1165 17.878,1166 8030,1167 14296,1168 18.493,1169 29.148,1170 42.81,1171 46.104,1172 43.384,1173 41.799,1174 41.711,1175 58.501,1177 116.583,1178 42.636,1179 5.27,1180 5.844,1181 6.346,1182 5.107,1183 5.075,1184 6.993,1186 17.272,1187 5.168,1188 12.611,1189 1.529,1190 1.647,1191 1.549,1192 1.493,1193 1.49,1194 2.089,1196 4.164,1197 1.523,1198 4.015,1199 4.028,1200 3.974,1201 3.946,1202 7.501,1203 3.949,1204 3.912,1205 3.932,1206 3.859,1207 3.848,1208 7.493,1209 3.846,1210 3.848,1211 3.875,1212 3.781,1213 3.795,1214 7.352,1215 3.789,1216 3.487,1217 3.475,1218 3.458,1219 3.324,1220 7.352,1221 3.356,1222 3.282,1223 3.277,1224 3.237,1225 3.099,1226 4.739,1227 3.13,1228 2.883,1229 2.925,1230 2.819,1231 2.757,1232 4.715,1233 2.762,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 4.656,1239 2.715,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.158,1247 0.137,1248 0.234,1249 0.147,1250 0.11,1251 4.426,1252 0.143,1253 3.844,1255 6.544,1256 0.36,1257 4.107,1258 0.113,1259 3.075,1260 3.993,1262 10.09,1263 3.168,1264 1.965,1265 1.952,1266 2.053,1267 2.05,1268 1.135,1269 2.049,1270 1.907,1271 1.886,1272 2.019,1273 1.992,1274 1.079,1275 2,1276 1.856,1277 1.83,1278 1.974,1279 1.931,1280 1.047,1281 1.947,1282 1.38,1283 1.387,1284 1.433,1285 1.571,1286 0.437,1287 1.521,1288 1.176,1289 1.174,1290 1.279,1291 1.389,1292 0.284,1293 1.346,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 4.043,1314 5.342,1316 6.851,1318 8.439,1320 10.065,1340 28.547,1341 53.467,1342 82.271,1343 96.064,1344 123.367,1345 140.877,1346 144.877,1347 69.87,1348 6.905,1349 68.28,1350 68.28,1351 18,1352 12.291,1353 4.524,1354 3.807,1355 44.557,1356 109,1357 90,1358 0.207,1359 177.551,1360 320.22,1361 424.983,1362 8778,1364 18.518,1365 0.712,1366 0.528,1367 18.518,1368 13.716,1369 12.575,1370 0.449,1371 0.284,1372 7.904,1373 12.323,1374 7.732,1375 6.428,1376 12.575,1377 7.959,1378 10.908,1379 0.287,1380 0.148,1381 10.908,1382 5.626,1383 9.749,1384 0.195,1385 0.078,1386 9.749,1387 3.894,1388 7.234,1389 0.125,1390 0.043,1391 7.234,1392 2.476,1393 5.451,1394 0.08,1395 0.023,1396 5.451,1397 1.596,1398 0.329,1399 77.762,1400 0.233,1401 25.436,1402 0.554,1403 132,1404 444.942,1405 140.415,1406 431.27,1407 567.76,1408 398,1409 154,1410 392.545,1411 163.523,1412 401.501,1413 585.06,1414 378,1415 4}
{0 CHEMBL363186,1 1.406,2 3.125,3 0.039,4 0.002,5 28.914,6 7.009,8 2.844,9 2.949,10 2.336,11 2.394,12 3.952,13 2.355,14 3.432,15 3.612,16 2.677,17 2.765,18 4.456,19 2.701,20 3.682,21 3.883,22 2.57,23 2.63,24 5.033,25 2.574,26 3.34,27 3.555,28 1.561,29 1.991,30 4.949,31 1.841,32 2.455,33 2.918,34 0.081,35 1.008,36 2.565,37 0.606,56 0.015,57 0.203,58 3.328,59 1.713,60 6.654,61 2.15,62 0.052,63 0.331,64 6.62,65 2.822,66 22.75,67 3.769,68 0.203,69 0.336,70 9.535,71 2.776,72 50.915,73 3.776,74 0.348,75 0.193,76 7.377,77 1.579,78 81.103,79 2.195,80 0.059,81 0.072,82 2.994,83 0.7,84 11.505,85 1.328,104 10,105 11,106 0.337,107 0.51,108 0.678,109 0.678,110 0.678,111 0.678,112 2.27,113 1.039,114 -1.29,115 -1.38,116 -1.44,121 37.5,122 1,123 2,124 1,158 2,176 2,180 4,187 2,192 4,200 2,205 1,281 28,282 4.983,283 4.983,284 4.983,285 4.983,286 4.983,287 4.723,288 5.601,289 2.828,290 4.922,291 3.875,292 3.875,293 3.875,294 3.875,295 3.875,296 3.326,297 4.577,298 1.301,299 3.745,300 2.594,301 1.875,302 1.172,303 1.172,304 1.172,305 1.172,306 2.792,312 1,313 47,314 1.225,317 19.067,325 0.438,326 14.255,329 1,330 0.67,331 0.83,332 1,333 0.5,334 1,335 1,336 0.86,337 18,338 25,339 4.149,340 4.003,341 6.287,342 3.98,343 2.947,344 3.361,345 2.414,346 9.124,347 3.036,348 3.214,349 3.349,350 4.732,351 2.814,352 1.732,353 2.303,354 2.006,355 4.726,356 1.863,357 2.178,358 1.654,359 3.81,360 2.162,361 1.159,362 1.167,364 2.805,365 1.161,366 1.553,367 1.3,368 2,369 1.103,375 0.461,376 0.391,377 2,378 0.1,379 -1,380 -1.303,381 -0.327,382 -2.414,383 -1.09,384 -0.09,385 -0.796,386 1.268,387 -0.234,388 -1.286,389 -1.529,390 -0.964,391 -3.118,392 -1.353,393 -0.675,394 -0.979,395 1.215,396 -0.714,397 -1.732,398 -2,399 -1.407,400 -4.812,401 -1.772,402 -0.789,403 -1.401,404 0.687,405 -0.811,406 -1.821,407 -2,408 -1.721,409 -6.312,410 -1.845,474 3.667,475 0.458,476 0.285,477 0.036,478 7.5,479 0.938,480 3,481 0.375,482 4.5,483 0.563,484 5.083,485 0.635,486 9.533,487 0.596,488 3.721,489 0.465,490 1.328,491 0.166,492 2.387,493 0.298,494 0.318,496 0.409,501 0.473,502 1.25,503 0.782,504 1.245,505 0.489,506 1.115,507 0.498,508 1.2,509 0.733,510 1.189,511 0.55,512 1.046,513 1.347,514 1.191,515 1.142,516 1.169,517 1.334,518 1.113,519 1.907,520 0.797,521 1.73,522 0.846,523 1.853,524 1.183,549 2,551 1.556,552 0.792,559 193,560 727,561 1.795,562 50,563 3,568 5,572 1.311,573 1.6,574 1.863,575 -0.71,582 22.49,583 1.406,584 2.125,585 2.828,586 2.828,587 2.828,588 2.828,589 1.299,590 2.25,591 2.976,592 1.734,593 48.552,594 4.685,595 271.724,600 64,601 1.561,602 2.858,603 0.25,605 0.141,606 0.099,613 0.49,614 1,615 1,616 0.906,617 21.26,622 0.004,624 0.049,625 -0.112,626 0.102,627 -0.093,628 0.001,629 0.002,630 -0.194,631 -0.294,632 -0.167,633 -0.283,634 -0.176,635 -0.228,636 -0.25,637 -0.035,638 -0.656,639 -0.114,640 -0.188,641 -0.434,642 0.328,643 0.594,644 0.96,645 0.676,646 0.259,647 0.936,666 1.63,667 3.564,668 0.625,669 2.375,670 1.012,671 1.13,672 0.062,673 0.004,674 0.622,675 2.197,676 2.485,677 2.639,678 2.565,679 2.079,680 1.099,685 2.236,686 0.596,687 112.14,688 2.197,689 3.664,690 4.466,691 5.293,692 6.116,693 6.946,694 7.772,695 8.602,696 9.429,697 10.26,741 16,743 2,745 8,747 16,748 6,756 1,757 1,763 1,767 2,768 1,770 2,772 2,773 4,774 1,777 2,782 2,786 2,793 8,794 2,796 2,808 1,809 2,828 1,841 2,859 1,864 1,868 8,876 2,880 1,893 12.5,896 2,901 5,902 3.167,903 1.806,904 1.083,907 0.373,908 1.09,909 0.864,910 1.164,911 4.5,912 2.398,913 2.773,914 2.996,915 2.996,916 2.708,917 1.609,922 1,923 8,924 2.974,925 0.063,926 1.258,927 0.081,929 8.458,931 5.511,932 0.026,933 4.471,934 0.043,935 0.004,936 2.958,937 23.667,938 0.034,941 94.169,942 24.161,945 50.29,948 24.161,949 144.459,951 8.825,952 5.069,954 60.557,957 94.169,959 94.169,960 24.161,961 50.29,964 94.169,965 50.29,968 13.894,969 10.267,972 94.169,973 50.29,974 24.161,977 94.169,978 15.336,979 8.825,981 50.29,982 94.169,983 50.29,984 24.161,986 0.596,987 0.354,988 0.135,989 0.041,990 6,991 3,995 1,996 1.842,997 34.983,999 5,1000 18,1005 5.487,1006 1.697,1007 0.817,1009 50.29,1018 168.62,1019 10,1024 21.127,1028 0.213,1031 16.189,1032 18.08,1034 0.351,1035 0.531,1036 0.707,1037 0.707,1038 0.707,1039 0.707,1040 3.611,1041 -1.821,1042 4.489,1043 -4.812,1044 3.135,1045 3.434,1046 2.823,1047 5.263,1048 3.203,1049 4.779,1051 6.066,1052 -6.312,1053 2.944,1054 3.434,1055 2.661,1056 6.176,1057 3.063,1058 6.071,1060 7.746,1062 4.71,1063 5.293,1064 4.17,1065 9.185,1066 4.837,1067 7.397,1069 9.478,1071 5.303,1072 6.043,1073 4.543,1074 10.874,1075 5.475,1076 8.752,1078 11.241,1080 6.627,1081 7.462,1082 5.699,1083 13.408,1084 6.81,1085 10.125,1087 13.025,1089 7.53,1090 8.5,1091 6.315,1092 15.396,1093 7.75,1094 11.51,1096 14.823,1098 8.698,1099 9.778,1100 7.319,1101 17.75,1102 8.938,1103 2.947,1105 16.632,1107 9.715,1108 10.925,1109 8.057,1110 19.861,1111 9.988,1112 1.732,1113 9.124,1114 18.449,1116 10.827,1117 12.158,1118 8.992,1119 22.137,1120 11.125,1121 1.159,1122 4.726,1123 20.271,1124 3.361,1125 11.885,1126 13.345,1127 9.793,1128 24.303,1129 12.214,1131 2.805,1132 22.098,1133 2.303,1134 12.978,1135 14.563,1136 10.695,1137 26.544,1138 13.334,1139 -1,1141 23.927,1142 1.167,1143 14.05,1144 15.766,1145 11.531,1146 28.734,1147 14.437,1148 -1.286,1149 -2.414,1150 25.759,1152 15.135,1153 16.98,1154 12.419,1155 30.959,1156 15.551,1157 -1.732,1158 -3.118,1159 27.593,1160 -1.303,1161 16.213,1162 18.188,1163 13.274,1164 33.16,1165 16.658,1166 257,1167 513,1168 4.682,1169 9.955,1170 12.188,1171 13.091,1172 13.16,1173 11.718,1174 11.677,1175 13.663,1176 8.839,1177 33.311,1178 12.121,1179 4.938,1180 5.404,1181 5.6,1182 4.791,1183 4.768,1184 5.361,1185 4.135,1186 15.436,1187 4.881,1188 4.233,1189 1.524,1190 1.636,1191 1.645,1192 1.465,1193 1.46,1194 1.708,1195 1.105,1196 4.164,1197 1.515,1198 3.901,1199 3.925,1200 3.821,1201 3.767,1202 7.443,1203 3.775,1204 3.171,1205 3.272,1206 2.921,1207 2.988,1208 7.409,1209 2.955,1210 2.963,1211 2.951,1212 2.908,1213 2.66,1214 4.043,1215 2.717,1216 2.574,1217 2.646,1218 2.34,1219 2.256,1220 3.657,1221 2.257,1222 1.968,1223 2.087,1224 1.549,1225 1.516,1226 2.639,1227 1.511,1228 1.753,1229 1.851,1230 1.41,1231 1.256,1232 2.541,1233 1.285,1234 0.941,1235 1.207,1236 0.083,1237 0.38,1238 1.189,1239 0.262,1240 0.941,1241 1.207,1242 0.083,1243 0.38,1244 1.092,1245 0.262,1246 0.519,1247 0.5,1248 0.786,1249 0.497,1250 0.368,1251 4.149,1252 0.42,1253 4.003,1254 0.302,1255 6.287,1256 1.141,1257 3.98,1258 0.38,1259 2.947,1260 3.361,1261 2.414,1262 9.124,1263 3.036,1264 1.631,1265 1.6,1266 1.837,1267 1.811,1268 1.073,1269 1.816,1270 1.544,1271 1.498,1272 1.783,1273 1.734,1274 1.043,1275 1.749,1276 0.879,1277 0.796,1278 1.231,1279 1.192,1280 0.317,1281 1.208,1282 0.121,1283 0.126,1284 0.712,1285 0.61,1287 0.587,1288 0.113,1290 0.274,1291 0.507,1293 0.504,1296 0.107,1297 0.154,1299 0.15,1312 2.833,1314 4.111,1315 2.398,1316 5.572,1317 4.727,1318 7.101,1319 6.742,1320 8.663,1322 1.678,1328 0.944,1332 -0.296,1340 9.537,1341 22.49,1342 34,1343 45.245,1344 45.245,1345 45.245,1346 45.245,1347 14.662,1348 4.127,1349 34.14,1350 34.14,1351 5,1352 10.833,1353 1.585,1354 1.585,1355 11.83,1356 11,1357 7,1358 0.699,1359 63.069,1360 112.3,1361 145.648,1362 164,1364 6.146,1365 0.768,1366 0.601,1367 6.146,1368 4.808,1369 3.715,1370 0.464,1371 0.346,1372 2.742,1373 3.58,1374 2.643,1375 2.176,1376 3.715,1377 2.77,1378 3.391,1379 0.308,1380 0.196,1381 3.391,1382 2.154,1383 2.872,1384 0.221,1385 0.122,1386 2.872,1387 1.584,1388 1.612,1389 0.134,1390 0.072,1391 1.612,1392 0.859,1393 0.744,1394 0.106,1395 0.04,1396 0.744,1397 0.283,1398 0.901,1399 23.446,1400 0.462,1401 7.419,1402 2.511,1403 38,1404 145.471,1405 42.207,1406 133.938,1407 164.36,1408 122,1409 43,1410 102.273,1411 46.987,1412 101.043,1413 143.41,1414 95,1415 4}
{0 CHEMBL363391,1 1.632,2 13.483,3 4.743,4 22.497,5 125.688,6 7.897,7 0.344,8 4.119,9 4.239,10 3.871,11 3.786,12 5.069,13 3.678,14 4.71,15 4.883,16 4.17,17 4.217,18 5.601,19 4.077,20 5.036,21 5.268,22 4.136,23 4.33,24 5.884,25 4.16,26 5.04,27 5.292,28 4.055,29 4.245,30 5.93,31 4.081,32 5,33 5.268,34 3.932,35 4.179,36 5.837,37 3.997,38 4.902,39 5.155,40 3.901,41 4.096,42 5.772,43 3.907,44 4.823,45 5.08,46 3.852,47 3.986,48 5.727,49 3.795,50 4.707,51 4.978,52 3.769,53 3.842,54 5.58,55 3.668,56 0.054,57 0.833,58 15.684,59 6.37,60 7.166,61 7.739,62 0.153,63 1.412,64 27.833,65 11.496,66 18.315,67 14.624,68 0.302,69 1.829,70 46.804,71 15.93,72 35.781,73 19.803,74 0.416,75 1.81,76 42.692,77 14.238,78 50.163,79 18.638,80 0.381,81 1.709,82 41.23,83 13.974,84 44.482,85 18.199,86 0.333,87 1.477,88 38.617,89 13.496,90 45.989,91 17.09,92 0.391,93 1.347,94 39.178,95 12.366,96 46.57,97 15.791,98 0.316,99 1.201,100 34.732,101 10.475,102 33.527,103 13.498,104 10,105 44,106 0.269,107 0.584,108 0.791,109 0.9,110 0.9,111 0.9,112 3.407,113 1.244,114 -4.75,115 -4.67,116 -4.38,121 38.6,123 8,124 1,127 2,129 1,144 3,145 2,146 2,148 2,160 1,165 1,166 1,167 1,176 9,180 5,183 1,185 4,187 13,189 2,192 4,197 5,200 8,203 2,206 5,208 1,209 1,211 6,214 9,216 4,219 3,222 1,224 3,227 10,229 1,232 1,237 1,239 10,241 1,243 1,244 3,248 1,249 3,250 1,251 8,256 1,261 1,264 5,269 3,271 1,272 1,274 3,277 5,279 1,281 1459,282 19.723,283 19.723,284 19.723,285 19.723,286 19.723,287 18.203,288 17.269,289 11.779,290 20.212,291 15.815,292 15.815,293 15.815,294 15.815,295 15.815,296 13.421,297 12.106,298 5.658,299 16.603,300 4.201,301 2.294,302 1.044,303 0.386,304 0.386,305 0.386,306 4.106,308 1,311 1,312 1,313 858,314 3.606,317 90.436,318 211.286,322 232.997,325 2.19,326 24.938,329 1,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.98,337 60.833,338 391,339 4.64,340 4.08,341 6.778,342 4.204,343 3.224,344 4.574,345 1.907,346 11.08,347 3.159,348 4.01,349 3.576,350 6.03,351 3.671,352 2.69,353 3.536,354 0.149,355 8.617,356 2.64,357 3.687,358 3.36,359 5.446,360 3.469,361 2.545,362 2.962,364 7.058,365 2.406,366 3.586,367 3.354,368 5.353,369 3.408,370 2.431,371 2.834,373 6.998,374 2.303,375 3.537,376 2.956,377 5.19,378 3.253,379 2.276,380 2.685,382 6.306,383 2.208,384 3.348,385 2.627,386 4.977,387 2.976,388 2.014,389 2.54,391 5.882,392 1.921,393 3.229,394 2.267,395 4.881,396 2.862,397 1.948,398 2.287,400 5.514,401 1.696,402 2.604,403 2.11,404 4.121,405 2.511,406 1.541,407 1.641,409 3.393,410 1.484,411 2.569,412 1.663,413 3.683,414 2.252,415 1.259,416 1.563,418 3.214,419 1.249,420 2.154,421 1.468,422 3.644,423 2.043,424 1.135,425 1.147,427 2.468,428 1.01,429 2.112,430 1.232,431 3.354,432 1.933,433 0.966,434 1.076,436 2.302,437 0.918,438 1.72,439 1.1,440 3.076,441 1.59,442 0.623,443 0.651,445 1.449,446 0.596,447 1.618,448 1.055,449 3,450 1.561,451 0.618,452 0.618,454 1.372,455 0.573,456 1.366,457 0.723,458 2.963,459 1.202,460 0.221,461 0.237,463 0.485,464 0.212,465 1.337,466 0.333,467 2.698,468 0.95,474 14.914,475 0.514,476 0.661,477 0.023,478 29.75,479 1.026,480 12,481 0.414,482 17.75,483 0.612,484 33.902,485 1.169,486 31.886,487 0.559,488 16.783,489 0.579,490 4.003,491 0.138,492 10.094,493 0.348,494 0.097,496 0.302,501 0.71,502 1.055,503 0.604,504 0.778,505 0.636,506 0.898,507 0.586,508 1.163,509 0.833,510 1.015,511 0.475,512 1.036,513 0.998,514 1.147,515 1.038,516 1.089,517 0.917,518 1.039,519 1.09,520 1.031,521 0.826,522 0.894,523 1.111,524 0.993,525 1.088,526 0.871,527 0.78,528 0.816,529 1.174,530 0.927,531 1.125,532 0.99,533 0.816,534 0.915,535 1.414,536 0.987,537 1.112,538 0.982,539 0.951,540 0.964,541 1.282,542 1.003,543 1.267,544 0.9,545 0.851,546 0.819,547 1.298,548 0.849,549 5.5,550 0.125,551 2.889,552 1.785,553 1.787,554 0.684,555 0.56,556 0.324,557 0.243,558 0.177,559 12921,560 33845,561 2.111,562 49.1,563 8,564 8,567 3,568 4,569 3,570 2,572 1.712,573 2,574 3.689,575 0.891,582 93.006,583 1.632,584 3.539,585 4.789,586 5.447,587 5.447,588 5.447,589 3.125,590 4.513,591 4.826,592 3.911,593 1588.01,594 8.365,595 22962.8,597 1,600 332.475,601 1.314,602 4.8,603 0.172,604 0.006,605 0.066,606 0.042,607 0.047,608 0.021,609 0.019,610 0.012,611 0.01,612 0.008,613 0.401,614 0.17,615 1,616 0.506,617 151.425,618 -0.04,619 0.101,620 0.148,621 0.166,622 -0.016,623 0.083,624 0.081,625 -0.092,626 -0.006,627 -0.041,628 0.105,629 -0.042,630 -0.081,631 -0.141,632 -0.115,633 -0.117,634 -0.028,635 -0.063,636 -0.051,637 -0.036,638 -0.053,639 -0.051,640 -0.046,641 -0.065,642 -0.091,643 0.104,644 -0.021,645 0.034,646 -0.104,647 0.006,648 -0.018,649 -0.072,650 0.007,651 -0.021,652 -0.056,653 -0.027,654 0.092,655 -0.076,656 -0.001,657 -0.066,658 0.024,659 -0.041,660 -0.011,661 0.017,662 0.081,663 0.053,664 -0.022,665 0.096,666 1.484,667 5.223,668 0.655,669 33.998,670 0.993,671 1.121,672 3.523,673 12.41,674 0.693,675 3.497,676 3.807,677 4.06,678 4.317,679 4.533,680 4.654,681 4.762,682 4.92,683 5.011,684 4.97,685 8.016,686 0.629,687 450.12,688 3.497,689 5.03,690 5.872,691 6.742,692 7.602,693 8.481,694 9.353,695 10.239,696 11.118,697 12.01,698 5.3,702 1,705 1,708 1,714 2,715 3,716 1,720 4,722 11,733 1,740 1,741 57,743 12,744 1,745 32,747 60,748 22,749 9,750 3,751 3,756 4,757 7,758 1,767 5,768 1,770 9,772 10,773 12,774 1,777 1,782 1,786 1,793 28,794 4,795 3,796 7,797 3,802 3,808 0.5,809 1,822 1,828 1,829 3,833 2,843 1,859 2,861 1,862 2,865 1,868 29,869 1,876 10,877 1,879 2,880 2,892 1,893 1.8,896 1,901 14.5,902 9.843,903 6.361,904 3.768,907 2.403,908 1.31,909 0.986,910 7.411,911 10.164,912 3.676,913 4.227,914 4.762,915 5.338,916 5.925,917 6.297,918 6.65,919 7.055,920 7.359,921 7.305,922 0.889,923 43,924 10.819,926 4.646,927 0.026,929 7.556,931 21.499,933 18.608,936 2.056,937 59.611,940 1,941 294.278,942 133.695,943 67.693,944 39.149,945 25.145,947 60.363,948 73.332,949 358.571,950 67.693,952 41.292,953 61.326,954 46.635,955 16.917,957 354.641,958 39.149,959 294.278,960 141.025,961 25.145,962 99.512,964 235.422,965 84,968 46.193,969 78.046,970 55.934,971 60.363,972 294.278,973 92.838,974 172.844,977 294.278,978 105.267,979 28.429,980 18.011,981 113.976,982 294.278,983 92.838,984 172.844,986 0.578,987 0.33,988 0.176,989 0.092,990 21,991 9,992 0.117,993 7,994 2,995 1.211,996 4.259,997 244.486,998 0.211,999 19,1000 140.881,1001 2,1005 21.453,1006 10.019,1007 5.478,1008 1.84,1009 92.838,1010 5.694,1011 4.832,1015 3.747,1017 50.908,1018 559.96,1019 38.5,1024 12.223,1028 0.182,1031 56.596,1032 63.886,1034 0.28,1035 0.607,1036 0.821,1037 0.934,1038 0.934,1039 0.934,1040 4.925,1041 1.541,1042 5.844,1043 5.514,1044 4.489,1045 4.913,1046 1.953,1047 6.627,1048 4.404,1049 6.096,1050 1.259,1051 7.382,1052 3.393,1053 4.007,1054 4.783,1055 1.593,1056 7.462,1057 3.877,1058 7.392,1059 1.135,1060 9.02,1061 3.214,1062 6.052,1063 7.08,1064 2.904,1065 10.574,1066 5.912,1067 8.723,1068 0.966,1069 10.719,1070 2.468,1071 6.399,1072 7.821,1073 3.032,1074 12.272,1075 6.226,1076 10.091,1077 0.623,1078 12.459,1079 2.302,1080 7.889,1081 9.635,1082 4.037,1083 14.916,1084 7.71,1085 11.485,1086 0.618,1087 14.228,1088 1.449,1089 8.638,1090 10.787,1091 4.409,1092 16.998,1093 8.436,1094 12.9,1095 0.221,1096 16.02,1097 1.372,1098 9.909,1099 12.421,1100 5.25,1101 19.488,1102 9.697,1103 3.224,1105 17.831,1106 0.485,1107 10.863,1108 13.772,1109 5.75,1110 21.746,1111 10.633,1112 2.69,1113 11.08,1114 19.657,1116 12.049,1117 15.335,1118 6.501,1119 24.18,1120 11.808,1121 2.545,1122 8.617,1123 21.496,1124 4.574,1125 13.106,1126 16.778,1127 7.068,1128 26.517,1129 12.849,1130 2.431,1131 7.058,1132 23.346,1133 3.536,1134 14.265,1135 18.313,1136 7.771,1137 28.931,1138 13.994,1139 2.276,1140 6.998,1141 25.206,1142 2.962,1143 15.374,1144 19.797,1145 8.374,1146 31.303,1147 15.088,1148 2.014,1149 6.306,1150 27.074,1151 2.834,1152 16.528,1153 21.322,1154 9.051,1155 33.711,1156 16.226,1157 1.948,1158 5.882,1159 28.948,1160 2.685,1161 17.664,1162 22.825,1163 9.674,1164 36.1,1165 17.345,1166 12098,1167 19728,1168 21.671,1169 39.523,1170 46.942,1171 51.677,1172 47.994,1173 47.185,1174 46.981,1175 56.703,1176 4.112,1177 132.276,1178 44.749,1179 5.631,1180 6.08,1181 6.494,1182 5.251,1183 5.224,1184 7.574,1185 3.306,1186 18.627,1187 5.159,1188 12.286,1189 1.467,1190 1.615,1191 1.5,1192 1.475,1193 1.468,1194 1.772,1195 0.129,1196 4.134,1197 1.398,1198 4.114,1199 4.143,1200 4.233,1201 4.046,1202 7.429,1203 4.049,1204 3.834,1205 3.88,1206 4.122,1207 3.795,1208 5.158,1209 3.72,1210 3.772,1211 3.816,1212 3.798,1213 3.703,1214 4.898,1215 3.679,1216 3.631,1217 3.672,1218 3.631,1219 3.526,1220 4.592,1221 3.494,1222 3.423,1223 3.484,1224 3.459,1225 3.298,1226 4.249,1227 3.286,1228 3.274,1229 3.333,1230 3.277,1231 3.117,1232 4.198,1233 3.102,1234 3.142,1235 3.22,1236 3.036,1237 2.972,1238 4.051,1239 2.968,1240 3.049,1241 3.145,1242 3.007,1243 2.876,1244 3.939,1245 2.856,1246 0.145,1247 0.127,1248 0.212,1249 0.131,1250 0.101,1251 4.64,1252 0.143,1253 4.08,1254 0.06,1255 6.778,1256 0.346,1257 4.204,1258 0.099,1259 3.224,1260 4.574,1261 1.907,1262 11.08,1263 3.159,1264 2.07,1265 2.047,1266 2.15,1267 2.159,1268 1.469,1269 2.159,1270 1.802,1271 1.759,1272 1.999,1273 1.952,1274 1.379,1275 1.969,1276 1.757,1277 1.708,1278 1.944,1279 1.885,1280 1.169,1281 1.915,1282 1.553,1283 1.501,1284 1.779,1285 1.732,1286 1.133,1287 1.753,1288 1.394,1289 1.34,1290 1.61,1291 1.58,1292 0.872,1293 1.606,1294 1.266,1295 1.224,1296 1.497,1297 1.458,1298 0.82,1299 1.48,1300 1.14,1301 1.066,1302 1.42,1303 1.348,1304 0.652,1305 1.384,1306 1.072,1307 1.017,1308 1.328,1309 1.317,1310 0.502,1311 1.344,1312 4.174,1314 5.485,1315 2.398,1316 6.984,1317 4.443,1318 8.582,1319 6.26,1320 10.243,1323 6.126,1326 6.415,1328 10.18,1329 3.144,1331 4.006,1332 1.221,1340 35.829,1341 93.006,1342 201.738,1343 272.991,1344 310.475,1345 310.475,1346 310.475,1347 54.714,1348 7.762,1349 68.01,1350 118.61,1351 23,1352 12.541,1353 3.7,1354 2.907,1355 45.191,1356 139,1357 138,1358 0.154,1359 229.638,1360 396.1,1361 552.076,1362 28236,1363 1.8,1364 20.217,1365 0.697,1366 0.654,1367 21.424,1368 18.974,1369 14.097,1370 0.441,1371 0.415,1372 10.64,1373 12.64,1374 10.225,1375 8.375,1376 15.465,1377 13.274,1378 12.657,1379 0.288,1380 0.257,1381 14.334,1382 11.324,1383 10.511,1384 0.184,1385 0.161,1386 12.158,1387 9.2,1388 8.691,1389 0.117,1390 0.101,1391 10.333,1392 7.464,1393 6.696,1394 0.073,1395 0.049,1396 7.54,1397 4.471,1398 0.253,1399 99.029,1400 0.215,1401 28.392,1402 0.396,1403 152,1404 366.95,1405 215.759,1406 431.765,1407 578.12,1408 404,1409 177,1410 365.426,1411 233.687,1412 410.363,1413 595.31,1414 389,1415 5.963}
{0 CHEMBL363455,1 1.408,2 12.538,3 4.029,4 16.229,5 99.703,6 7.531,7 0.621,8 3.931,9 4.027,10 3.522,11 3.519,12 5.023,13 3.5,14 4.457,15 4.597,16 3.846,17 3.896,18 5.523,19 3.857,20 4.66,21 4.845,22 3.805,23 4,24 5.675,25 3.91,26 4.702,27 4.921,28 3.639,29 3.916,30 5.672,31 3.797,32 4.616,33 4.865,34 3.58,35 3.808,36 5.596,37 3.69,38 4.475,39 4.69,40 3.539,41 3.724,42 5.542,43 3.629,44 4.402,45 4.616,46 3.35,47 3.646,48 5.365,49 3.525,50 4.292,51 4.529,52 3.253,53 3.525,54 5.142,55 3.4,56 0.002,57 0.584,58 8.889,59 4.397,60 5.422,61 5.395,62 0.236,63 0.978,64 17.074,65 7.194,66 18.253,67 8.856,68 0.134,69 1.188,70 21.95,71 9.455,72 29.205,73 12.217,74 0.217,75 1.22,76 24.562,77 9.855,78 38.96,79 12.922,80 0.281,81 1.13,82 23.38,83 9.094,84 38.958,85 12.485,86 0.273,87 0.965,88 19.599,89 7.783,90 38.685,91 10.221,92 0.252,93 0.885,94 18.293,95 7.373,96 33.437,97 9.552,98 0.1,99 0.809,100 16.358,101 6.792,102 18.126,103 9.22,104 2,105 39,106 0.239,107 0.532,108 0.71,109 0.833,110 0.85,111 0.85,112 3.303,113 0.913,114 -4.5,115 -4.43,116 -4.17,121 47.8,123 2,127 1,128 1,144 10,145 3,146 2,147 2,159 1,176 13,179 1,180 4,187 13,189 3,192 7,200 9,203 3,206 4,214 6,216 3,218 1,219 3,227 10,229 2,231 1,232 2,239 12,244 2,246 1,251 9,253 1,256 3,264 5,266 2,269 3,277 4,279 1,281 1010,282 18.016,283 18.016,284 18.016,285 18.016,286 18.016,287 15.725,288 20.693,289 10.851,290 18.237,291 14.348,292 14.348,293 14.348,294 14.348,295 14.348,296 10.873,297 25.264,298 5.209,299 14.689,300 4.115,301 2.396,302 1.347,303 0.625,304 0.522,305 0.522,306 4.006,310 1,311 1,312 1,313 724,314 3,317 69.932,318 261.733,321 120.582,325 2.112,326 19.626,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 55.5,338 326,339 4.342,340 3.613,341 6.257,342 3.965,343 2.989,344 3.982,345 1.392,346 9.438,347 2.936,348 4.089,349 3.278,350 5.904,351 3.697,352 2.731,353 3.677,354 1.277,355 8.171,356 2.64,357 3.913,358 2.93,359 5.616,360 3.597,361 2.607,362 3.411,363 0.532,364 7.783,365 2.552,366 3.842,367 2.67,368 5.329,369 3.445,370 2.447,371 3.242,372 0.522,373 6.937,374 2.437,375 3.429,376 2.206,377 4.955,378 3.027,379 2.072,380 2.732,382 5.867,383 1.968,384 2.906,385 2.082,386 4.405,387 2.517,388 1.535,389 2.037,391 4.286,392 1.516,393 2.877,394 1.987,395 4.163,396 2.472,397 1.5,398 2.023,400 3.778,401 1.434,402 2.852,403 1.609,404 3.593,405 2.406,406 1.41,407 1.93,409 3.039,410 1.401,411 2.5,412 1.509,413 3.437,414 2.055,415 1.056,416 1.5,418 2.383,419 1.054,420 2.5,421 1.099,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.18,430 1,431 3.247,432 1.984,433 1,434 1.154,436 2.136,437 0.983,438 1.862,439 1,440 3.132,441 1.608,442 0.6,443 0.715,445 1.392,446 0.599,447 1.624,448 0.771,449 2.985,450 1.316,451 0.365,452 0.441,454 0.895,455 0.344,456 1.33,457 0.416,458 2.758,459 1.026,460 0.039,461 0.048,463 0.096,464 0.038,465 0.853,466 -0.018,467 2.381,468 0.488,469 -0.514,470 -0.648,472 -1.173,473 -0.513,474 12.4,475 0.477,476 0.482,477 0.019,478 36,479 1.385,480 19.5,481 0.75,482 16.5,483 0.635,484 17.619,485 0.678,486 26.9,487 0.585,488 24.565,489 0.945,490 7.315,491 0.281,492 5.461,493 0.21,494 0.027,496 0.274,501 0.753,502 1.181,503 0.745,504 1.048,505 0.588,506 0.92,507 1.054,508 1.005,509 0.972,510 0.952,511 0.731,512 0.941,513 0.875,514 1.162,515 1.059,516 1.153,517 1.019,518 1.136,519 1.004,520 1.109,521 1.113,522 1.106,523 1.338,524 1.123,525 0.642,526 0.891,527 0.845,528 0.892,529 0.84,530 0.892,531 0.884,532 0.913,533 0.956,534 0.94,535 1.21,536 0.952,537 1.06,538 0.949,539 1.132,540 0.993,541 1.392,542 1.067,543 0.654,544 1.06,545 0.91,546 1.052,547 0.515,548 1.028,549 4.5,550 0.098,551 2.444,552 0.944,553 1.062,554 0.566,555 0.372,556 0.235,557 0.161,558 0.108,559 9962,560 24634,561 2.172,562 43.5,563 2,564 12,565 2,566 2,568 2,572 1.682,573 2.108,574 3.613,575 -0.836,577 1,582 64.783,583 1.408,584 3.127,585 4.176,586 4.898,587 5.002,588 5.002,589 3.094,590 4.133,591 4.673,592 3.798,593 1234.5,594 8.048,595 16408.9,597 1,599 1,600 254.084,601 1.058,602 4.663,603 0.155,604 0.006,605 0.063,606 0.026,607 0.037,608 0.02,609 0.014,610 0.011,611 0.008,612 0.006,613 0.345,614 0.33,615 1,616 0.362,617 130.947,618 0.001,619 -0.133,620 0.069,621 -0.063,622 -0.026,623 -0.001,624 0.011,625 0.043,626 -0.067,627 0.009,628 -0.026,629 -0.029,630 -0.061,631 -0.169,632 -0.136,633 -0.172,634 -0.053,635 -0.167,636 -0.089,637 -0.136,638 -0.134,639 -0.129,640 -0.124,641 -0.138,642 0.14,643 0.091,644 0.156,645 0.087,646 0.166,647 0.121,648 0.081,649 0.066,650 0.03,651 0.038,652 0.086,653 0.032,654 -0.072,655 0.008,656 -0.149,657 -0.007,658 -0.176,659 -0.081,660 0.033,661 -0.106,662 0.061,663 -0.057,664 0.028,665 -0.006,666 1.552,667 5.424,668 0.808,669 26.834,670 1,671 1.11,672 3.269,673 10.686,674 0.687,675 3.401,676 3.689,677 3.932,678 4.143,679 4.331,680 4.317,681 4.407,682 4.477,683 4.419,684 4.477,685 7.426,686 0.656,687 346.43,688 3.401,689 4.92,690 5.753,691 6.603,692 7.447,693 8.3,694 9.149,695 10.003,696 10.854,697 11.709,698 2.2,708 1,715 12,720 5,721 1,722 18,727 1,739 2,741 46,743 19,744 2,745 29,747 49,748 22,749 17,750 4,751 8,752 1,756 4,757 5,770 2,772 18,773 4,777 1,782 1,786 1,790 1,793 20,794 3,796 4,802 1,803 1,808 0.75,809 3,822 1,828 1,829 3,832 1,859 3,868 26,876 4,878 2,893 6.5,896 1,898 2,901 12.333,902 8.25,903 5.722,904 2.778,907 3.156,908 1.428,909 1.006,910 4.982,911 10.526,912 3.689,913 4.256,914 4.79,915 5.293,916 5.814,917 5.862,918 6.133,919 6.385,920 6.557,921 6.852,922 1,923 36,924 9.615,926 4.069,927 0.026,929 7.654,931 18.553,933 15.217,936 2.154,937 56,940 1,941 235.422,942 151.859,943 1.899,945 47.145,948 151.859,949 282.567,950 1.899,952 13.825,953 94.762,954 55.72,955 60.138,956 23.542,957 188.338,959 235.422,960 153.758,961 47.145,964 235.422,965 47.145,968 31.92,969 119.94,970 1.899,972 235.422,973 49.044,974 151.859,977 235.422,978 39.002,979 114.756,981 47.145,982 235.422,983 49.044,984 151.859,986 0.574,987 0.33,988 0.172,989 0.092,990 19,991 7,992 0.122,993 6,994 1,995 1.095,996 4.077,997 208.36,998 0.095,999 21,1000 114.211,1005 16.8,1006 7.711,1007 4.138,1009 47.145,1010 23.998,1015 4.445,1016 2.137,1018 436.325,1019 39,1024 12.424,1028 0.115,1031 45.978,1032 51.071,1034 0.255,1035 0.566,1036 0.756,1037 0.887,1038 0.906,1039 0.906,1040 4.894,1041 1.41,1042 5.7,1043 3.778,1044 4.369,1045 4.942,1046 2.224,1047 6.438,1048 4.326,1049 6.072,1050 1.056,1051 7.209,1052 3.039,1053 3.761,1054 4.543,1056 7.154,1057 3.693,1058 7.351,1059 1,1060 8.812,1061 2.383,1062 5.894,1063 7.065,1064 2.649,1065 10.21,1066 5.807,1067 8.664,1068 1,1069 10.473,1070 2.275,1071 6.133,1072 7.473,1074 11.761,1075 6.021,1076 10.007,1077 0.6,1078 12.17,1079 2.136,1080 7.676,1081 9.44,1082 3.19,1083 14.284,1084 7.548,1085 11.37,1086 0.365,1087 13.893,1088 1.392,1089 8.316,1090 10.234,1092 16.187,1093 8.163,1094 12.749,1095 0.039,1096 15.633,1097 0.895,1098 9.597,1099 11.941,1100 3.769,1101 18.516,1102 9.429,1103 2.989,1104 -0.514,1105 17.387,1106 0.096,1107 10.441,1108 12.951,1110 20.582,1111 10.249,1112 2.731,1113 9.438,1114 19.15,1115 -1.173,1116 11.6,1117 14.515,1118 4.364,1119 22.839,1120 11.393,1121 2.607,1122 8.171,1123 20.922,1124 3.982,1125 12.551,1126 15.656,1128 24.984,1129 12.32,1130 2.447,1131 7.783,1132 22.699,1133 3.677,1134 13.655,1135 17.136,1136 4.971,1137 27.216,1138 13.409,1139 2.072,1140 6.937,1141 24.482,1142 3.411,1143 14.662,1144 18.359,1146 29.402,1147 14.394,1148 1.535,1149 5.867,1150 26.27,1151 3.242,1152 15.743,1153 19.79,1154 5.586,1155 31.627,1156 15.458,1157 1.5,1158 4.286,1159 28.062,1160 2.732,1161 16.78,1162 21.067,1164 33.835,1165 16.475,1166 9174,1167 14585,1168 20.167,1169 31.603,1170 42.868,1171 44.344,1172 43.076,1173 42.712,1174 42.7,1175 56.782,1176 7.444,1177 116.956,1178 41.807,1179 5.226,1180 5.613,1181 6.059,1182 5,1183 4.989,1184 6.982,1185 2.783,1186 15.798,1187 4.936,1188 6.368,1189 1.478,1190 1.529,1191 1.485,1192 1.473,1193 1.472,1194 1.958,1195 0.257,1196 4.033,1197 1.442,1198 4.032,1199 4.07,1200 3.972,1201 3.932,1202 7.427,1203 3.936,1204 3.953,1205 3.967,1206 3.905,1207 3.859,1208 4.999,1209 3.865,1210 3.838,1211 3.872,1212 3.764,1213 3.766,1214 4.822,1215 3.763,1216 3.553,1217 3.587,1218 3.469,1219 3.367,1220 4.69,1221 3.382,1222 3.284,1223 3.324,1224 3.167,1225 3.078,1226 4.298,1227 3.095,1228 3.117,1229 3.174,1230 2.98,1231 2.938,1232 3.979,1233 2.941,1234 2.894,1235 2.945,1236 2.756,1237 2.749,1238 3.945,1239 2.743,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.15,1247 0.125,1248 0.216,1249 0.137,1250 0.103,1251 4.342,1252 0.137,1253 3.613,1254 0.048,1255 6.257,1256 0.325,1257 3.965,1258 0.101,1259 2.989,1260 3.982,1261 1.392,1262 9.438,1263 2.936,1264 1.974,1265 1.938,1266 2.095,1267 2.103,1268 1.275,1269 2.103,1270 1.894,1271 1.876,1272 2.006,1273 1.984,1274 1.164,1275 1.989,1276 1.832,1277 1.803,1278 1.941,1279 1.924,1280 1.051,1281 1.935,1282 1.474,1283 1.424,1284 1.693,1285 1.664,1286 0.877,1287 1.675,1288 1.173,1289 1.135,1290 1.439,1291 1.519,1292 0.589,1293 1.485,1294 1.144,1295 1.099,1296 1.404,1297 1.341,1298 0.578,1299 1.36,1300 0.886,1301 0.844,1302 1.181,1303 1.094,1304 0.233,1305 1.107,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 4.078,1314 5.371,1315 2.398,1316 6.853,1317 4.595,1318 8.416,1319 6.581,1320 10.019,1328 2.263,1330 10.617,1340 30.17,1341 64.783,1342 143.845,1343 192.11,1344 225.329,1345 230.084,1346 230.084,1347 36.376,1348 7.37,1349 39.41,1350 39.41,1351 23,1352 12.264,1353 4.322,1354 3.459,1355 38.451,1356 118,1357 104,1358 0.156,1359 183.201,1360 319.31,1361 438.771,1362 17778,1364 17.769,1365 0.683,1366 0.557,1367 17.769,1368 14.481,1369 12.776,1370 0.441,1371 0.304,1372 8.712,1373 12.355,1374 8.538,1375 7.065,1376 12.776,1377 8.824,1378 11.205,1379 0.287,1380 0.166,1381 11.205,1382 6.47,1383 9.523,1384 0.19,1385 0.092,1386 9.523,1387 4.609,1388 7.64,1389 0.123,1390 0.05,1391 7.64,1392 3.128,1393 6.092,1394 0.081,1395 0.028,1396 6.092,1397 2.133,1398 0.256,1399 79.662,1400 0.223,1401 25.922,1402 0.401,1403 136,1404 381.539,1405 147.492,1406 364.557,1407 499.86,1408 344,1409 157,1410 363.799,1411 169.077,1412 369.217,1413 536.65,1414 347,1415 6.62}
{0 CHEMBL363535,1 1.322,2 6.857,3 4.084,4 16.682,5 80.075,6 8.373,7 0.667,8 3.627,9 3.697,10 3.308,11 3.31,12 4.823,13 3.297,14 4.141,15 4.251,16 3.736,17 3.73,18 5.3,19 3.716,20 4.344,21 4.442,22 3.903,23 3.876,24 5.706,25 3.861,26 4.487,27 4.618,28 3.875,29 3.865,30 5.797,31 3.84,32 4.428,33 4.584,34 3.637,35 3.685,36 5.782,37 3.638,38 4.189,39 4.374,40 3.239,41 3.357,42 5.462,43 3.295,44 3.836,45 4.016,46 2.823,47 3.014,48 5.052,49 2.933,50 3.546,51 3.753,52 2.218,53 2.686,54 4.564,55 2.544,56 0.019,57 0.35,58 4.832,59 2.944,60 4.681,61 3.297,62 0.079,63 0.615,64 9.898,65 5.201,66 15.324,67 5.999,68 0.161,69 0.747,70 11.682,71 6.259,72 41.889,73 7.062,74 0.273,75 0.891,76 15.782,77 7.446,78 34.635,79 8.215,80 0.336,81 0.861,82 16.393,83 7.187,84 55.392,85 7.857,86 0.271,87 0.695,88 14.351,89 5.82,90 53.849,91 6.301,92 0.194,93 0.484,94 9.821,95 4.041,96 37.533,97 4.309,98 0.197,99 0.369,100 7.953,101 3.094,102 29.386,103 3.284,104 17,105 37,106 0.239,107 0.598,108 0.721,109 0.806,110 0.861,111 0.861,112 3.107,113 0.849,114 -3.81,115 -3.77,116 -3.58,121 54.5,122 2,144 5,145 7,153 1,154 1,159 2,176 14,180 5,187 18,191 1,192 8,200 18,205 1,206 9,214 14,218 1,219 9,227 9,232 7,239 6,244 4,251 6,264 4,277 2,281 444,282 14.121,283 14.121,284 14.121,285 14.121,286 14.121,287 12.057,288 6.598,289 7.844,290 14.074,291 11.774,292 11.774,293 11.774,294 11.774,295 11.774,296 8.507,297 4.313,298 3.638,299 11.665,300 3.722,301 1.739,302 1.064,303 0.591,304 0.288,305 0.288,306 3.799,310 1,311 1,312 1,313 320,314 2.236,317 27.414,318 90.161,321 46.597,322 99.82,325 1.116,326 25.964,328 1,329 1,330 0.83,331 1,332 0.4,333 0.5,334 1,335 1,336 0.82,337 45,338 144,339 4.803,340 3.908,341 7.188,342 4.442,343 3.431,344 4.681,346 12.596,347 3.471,348 4.449,349 3.188,350 6.675,351 4.021,352 3.018,353 4.214,355 10.677,356 3.027,357 3.938,358 3.045,359 6.102,360 3.554,361 2.54,362 3.451,364 8.583,365 2.578,366 3.756,367 2.791,368 5.932,369 3.411,370 2.382,371 3.098,373 7.934,374 2.439,375 3.305,376 2.388,377 5.152,378 2.896,379 1.89,380 2.622,382 5.65,383 1.9,384 3.038,385 2.043,386 4.649,387 2.559,388 1.558,389 2.287,391 4.244,392 1.559,393 2.862,394 1.581,395 4.223,396 2.46,397 1.441,398 1.945,400 3.815,401 1.465,402 2.636,403 1.373,404 4.023,405 2.159,406 1.154,407 1.682,409 2.92,410 1.159,411 2.4,412 1.134,413 3.698,414 1.925,415 0.913,416 1.325,418 2.25,419 0.922,420 2.107,421 1.036,422 3.24,423 1.473,424 0.377,425 0.616,427 0.914,428 0.409,429 1.297,430 0.279,431 2.932,432 0.889,433 -0.13,434 -0.174,436 -0.328,437 -0.132,438 1.106,439 0.045,440 2.527,441 0.752,442 -0.259,443 -0.329,445 -0.658,446 -0.261,447 0.792,448 -0.358,449 2.369,450 0.367,451 -0.641,452 -0.87,454 -1.62,455 -0.644,456 0.667,457 -0.481,458 2.16,459 0.326,460 -0.7,461 -0.977,463 -1.785,464 -0.718,465 0.201,466 -0.659,467 2,468 -0.193,469 -1.238,470 -1.63,472 -3.265,473 -1.256,474 10,475 0.476,476 0.666,477 0.032,478 30,479 1.429,480 17,481 0.81,482 13,483 0.619,484 14.591,485 0.695,486 20.6,487 0.624,488 21.313,489 1.015,490 5.971,491 0.284,492 4.121,493 0.196,494 0.167,496 0.5,501 0.58,502 0.87,503 0.634,504 0.857,505 0.515,506 0.778,507 0.697,508 0.771,509 0.59,510 0.752,511 0.576,512 0.671,513 0.703,514 1.032,515 0.746,516 1.015,517 0.674,518 0.916,519 1.046,520 1.082,521 0.943,522 1.067,523 0.905,524 1.001,525 1.242,526 1.125,527 1.145,528 1.12,529 1.458,530 1.115,531 1.534,532 0.994,533 1.232,534 0.991,535 1.74,536 1.038,537 1.554,538 1.066,539 1.387,540 1.077,541 1.622,542 1.173,543 1.672,544 0.886,545 1.647,546 0.936,547 1.339,548 1.212,549 3.5,551 3.333,552 2.313,553 2.209,554 0.924,555 0.446,556 0.214,557 0.093,558 0.016,559 3747,560 10210,561 2.126,562 36.4,563 6,564 5,565 1,572 1.641,573 1.938,574 2.795,575 -0.844,577 1,582 43.632,583 1.322,584 3.305,585 3.98,586 4.453,587 4.756,588 4.756,589 2.298,590 4.202,591 4.369,592 2.869,593 602.473,594 7.528,595 5939.29,597 1,598 1,599 1,600 166.465,601 1.494,602 4.303,603 0.146,605 0.09,606 0.055,607 0.057,608 0.032,609 0.023,610 0.018,611 0.015,612 0.008,613 0.444,614 1,615 1,616 0.665,617 90.363,618 -0.007,619 0.018,620 0.047,621 0.023,622 -0.046,623 0.041,624 -0.003,625 0.153,626 0.206,627 0.169,628 -0.004,629 0.217,630 0.132,631 -0.113,632 0.055,633 -0.107,634 0.167,635 -0.055,636 0.04,637 -0.129,638 -0.017,639 -0.125,640 0.045,641 -0.092,642 -0.02,643 -0.147,644 -0.136,645 -0.153,646 -0.068,647 -0.165,648 -0.22,649 0.013,650 -0.138,651 0.008,652 -0.212,653 -0.037,654 -0.262,655 -0.065,656 -0.311,657 -0.085,658 -0.243,659 -0.182,660 -0.399,661 0.137,662 -0.522,663 0.085,664 -0.302,665 -0.174,666 2.141,667 5.564,668 0.81,669 11.673,670 1.009,671 1.095,672 2.575,673 6.631,674 0.725,675 3.219,676 3.638,677 4.043,678 4.407,679 4.691,680 4.86,681 5.056,682 5.22,683 5.308,684 5.226,685 4.207,686 0.706,687 276.3,688 3.219,689 4.812,690 5.733,691 6.673,692 7.61,693 8.555,694 9.497,695 10.443,696 11.388,697 12.335,714 2,715 6,718 1,720 6,722 16,727 2,741 33,743 18,744 2,745 24,747 36,748 18,749 14,750 5,751 5,752 2,756 4,757 10,763 2,772 16,773 2,777 2,782 2,786 2,790 1,792 1,793 12,794 3,796 3,808 0.25,809 3,828 1,829 3,832 1,833 2,859 1,864 2,868 21,893 9.1,896 2,898 1,901 10.833,902 7,903 4.444,904 2.056,907 3.573,908 1.474,909 1.056,910 2.333,911 11.106,912 3.555,913 4.273,914 5.015,915 5.699,916 6.289,917 6.752,918 7.269,919 7.76,920 8.192,921 8.416,922 0.8,923 42,924 7.824,926 3.571,927 0.026,929 7.889,931 14.693,933 12.712,936 2.389,937 50.167,941 141.253,942 113.561,945 59.797,948 113.561,949 201.05,951 17.65,953 59.121,954 60.557,955 30.581,956 17.22,957 129.482,959 141.253,960 113.561,961 59.797,964 141.253,965 59.797,968 17.65,969 95.91,972 141.253,973 59.797,974 113.561,977 141.253,978 36.79,979 76.771,981 59.797,982 141.253,983 59.797,984 113.561,986 0.607,987 0.389,988 0.224,989 0.121,990 22,991 10,994 3,995 1.353,996 3.137,997 185.911,998 0.353,999 17,1000 90.239,1005 12.251,1006 4,1007 1.467,1008 1.801,1009 59.797,1010 11.161,1013 5.538,1015 3.87,1018 314.611,1019 34,1024 24.944,1028 -0.92,1031 33.284,1032 36.119,1034 0.262,1035 0.655,1036 0.789,1037 0.883,1038 0.943,1039 0.943,1040 4.828,1041 1.154,1042 5.771,1043 3.815,1044 4.317,1045 4.959,1047 6.715,1048 4.339,1049 6.1,1050 0.913,1051 7.418,1052 2.92,1053 4.111,1054 4.987,1056 7.861,1057 4.149,1058 7.463,1059 0.377,1060 9.165,1061 2.25,1062 6.038,1063 7.32,1065 11.054,1066 6.077,1067 8.867,1068 -0.13,1069 10.969,1070 0.914,1071 6.648,1072 8.181,1074 13.007,1075 6.706,1076 10.303,1077 -0.259,1078 12.809,1079 -0.328,1080 8.086,1081 9.998,1083 15.74,1084 8.145,1085 11.763,1086 -0.641,1087 14.673,1088 -0.658,1089 9.044,1090 11.227,1092 18.017,1093 9.12,1094 13.242,1095 -0.7,1096 16.554,1097 -1.62,1098 10.319,1099 12.855,1101 20.602,1102 10.399,1103 3.431,1104 -1.238,1105 18.449,1106 -1.785,1107 11.424,1108 14.248,1110 23.015,1111 11.518,1112 3.018,1113 12.596,1114 20.353,1115 -3.265,1116 12.647,1117 15.806,1119 25.552,1120 12.75,1121 2.54,1122 10.677,1123 22.267,1124 4.681,1125 13.814,1126 17.272,1128 28.025,1129 13.929,1130 2.382,1131 8.583,1132 24.187,1133 4.214,1134 15.026,1135 18.806,1137 30.548,1138 15.151,1139 1.89,1140 7.934,1141 26.113,1142 3.451,1143 16.22,1144 20.305,1146 33.048,1147 16.358,1148 1.558,1149 5.65,1150 28.043,1151 3.098,1152 17.432,1153 21.833,1155 35.57,1156 17.581,1157 1.441,1158 4.244,1159 29.978,1160 2.622,1161 18.64,1162 23.347,1164 38.083,1165 18.801,1166 3602,1167 6053,1168 15.838,1169 23.932,1170 38.256,1171 39.881,1172 40.096,1173 37.469,1174 37.406,1175 51.837,1177 119.166,1178 37.86,1179 5.687,1180 5.908,1181 6.716,1182 5.442,1183 5.431,1184 7.681,1186 20.596,1187 5.471,1188 10.587,1189 1.594,1190 1.662,1191 1.671,1192 1.561,1193 1.559,1194 2.16,1196 4.965,1197 1.577,1198 4.166,1199 4.171,1200 4.141,1201 4.116,1202 7.497,1203 4.119,1204 3.902,1205 3.909,1206 3.863,1207 3.805,1208 7.352,1209 3.818,1210 3.488,1211 3.517,1212 3.422,1213 3.389,1214 5.055,1215 3.386,1216 3.341,1217 3.349,1218 3.283,1219 3.189,1220 4.816,1221 3.206,1222 3.17,1223 3.237,1224 3.014,1225 3.004,1226 4.258,1227 3.003,1228 3.01,1229 3.082,1230 2.797,1231 2.783,1232 3.937,1233 2.779,1234 2.757,1235 2.796,1236 2.638,1237 2.575,1238 3.876,1239 2.577,1240 2.608,1241 2.657,1242 2.481,1243 2.485,1244 3.508,1245 2.473,1246 0.2,1247 0.163,1248 0.3,1249 0.185,1250 0.143,1251 4.803,1252 0.195,1253 3.908,1255 7.188,1256 0.525,1257 4.442,1258 0.145,1259 3.431,1260 4.681,1262 12.596,1263 3.471,1264 2.109,1265 2.099,1266 2.17,1267 2.158,1268 1.356,1269 2.161,1270 1.727,1271 1.716,1272 1.836,1273 1.828,1274 0.99,1275 1.825,1276 1.522,1277 1.49,1278 1.716,1279 1.695,1280 0.806,1281 1.697,1282 1.278,1283 1.247,1284 1.53,1285 1.44,1286 0.588,1287 1.461,1288 1.193,1289 1.139,1290 1.402,1291 1.415,1292 0.439,1293 1.427,1294 1.002,1295 0.999,1296 1.2,1297 1.3,1298 0.185,1299 1.26,1300 0.785,1301 0.71,1302 1.043,1303 0.996,1304 0.159,1305 1.011,1306 0.632,1307 0.574,1308 0.867,1309 0.856,1311 0.867,1312 3.892,1314 5.283,1315 2.398,1316 6.893,1317 4.727,1318 8.608,1319 6.843,1320 10.382,1322 3.774,1340 23.305,1341 43.632,1342 109.081,1343 131.346,1344 146.955,1345 156.955,1346 156.955,1347 37.005,1348 7.533,1349 47.28,1350 47.28,1351 23,1352 12.826,1353 4.248,1354 3.459,1355 27.729,1356 54,1357 47,1358 0.273,1359 139.501,1360 240.43,1361 332.143,1362 16961,1364 14.723,1365 0.701,1366 0.557,1367 14.723,1368 11.689,1369 10.092,1370 0.421,1371 0.283,1372 6.734,1373 9.844,1374 6.489,1375 5.374,1376 10.092,1377 6.791,1378 9.569,1379 0.259,1380 0.147,1381 9.569,1382 5.439,1383 9,1384 0.161,1385 0.074,1386 9,1387 4.159,1388 8.047,1389 0.099,1390 0.038,1391 8.047,1392 3.1,1393 6.641,1394 0.061,1395 0.02,1396 6.641,1397 2.143,1398 0.396,1399 62.616,1400 0.251,1401 19.727,1402 0.856,1403 122,1404 359.207,1405 129.75,1406 346.993,1407 480.12,1408 324,1409 154,1410 358.636,1411 163.08,1412 366.11,1413 548.87,1414 345,1415 4}
{0 CHEMBL363557,1 1.437,2 7.9,3 2.94,4 8.641,5 78.976,6 6.533,7 0.273,8 3.821,9 3.951,10 3.284,11 3.322,12 4.773,13 3.283,14 4.428,15 4.628,16 3.658,17 3.758,18 5.373,19 3.685,20 4.706,21 4.938,22 3.706,23 3.94,24 5.506,25 3.83,26 4.779,27 5.019,28 3.682,29 3.926,30 5.65,31 3.809,32 4.719,33 4.963,34 3.506,35 3.806,36 5.626,37 3.674,38 4.55,39 4.813,40 3.304,41 3.601,42 5.433,43 3.458,44 4.387,45 4.653,46 2.981,47 3.37,48 5.275,49 3.212,50 4.144,51 4.428,52 2.812,53 3.171,54 4.976,55 2.998,56 0.03,57 0.602,58 10.099,59 4.05,60 5.661,61 5.732,62 0.343,63 0.996,64 19.359,65 6.823,66 29.047,67 10.044,68 0.2,69 1.217,70 25.393,71 9.323,72 21.199,73 13.485,74 0.26,75 1.233,76 27.692,77 9.707,78 33.805,79 13.995,80 0.375,81 1.12,82 26.46,83 8.724,84 39.092,85 12.65,86 0.205,87 0.938,88 22.066,89 7.329,90 29.977,91 10.87,92 0.375,93 0.754,94 19.258,95 5.883,96 35.403,97 8.603,98 0.109,99 0.625,100 14.502,101 4.83,102 15.858,103 7.395,104 14,105 31,106 0.257,107 0.579,108 0.828,109 0.882,110 0.882,111 0.882,112 3.059,113 1.02,114 -3.46,115 -3.44,116 -3.29,121 38.1,122 1,123 3,124 1,126 1,127 2,129 1,144 3,145 2,146 1,161 1,176 8,179 1,180 5,183 2,185 1,187 9,192 6,200 9,206 8,211 2,214 6,218 1,219 5,224 3,227 3,232 3,237 2,239 3,243 1,244 1,247 1,249 1,251 3,256 1,261 1,264 2,269 1,277 1,281 456,282 13.646,283 13.646,284 13.646,285 13.646,286 13.646,287 12.764,288 18.526,289 8.085,290 13.954,291 10.825,292 10.825,293 10.825,294 10.825,295 10.825,296 9.407,297 21.467,298 3.73,299 11.261,300 3.955,301 2.156,302 0.768,303 0.465,304 0.465,305 0.465,306 3.738,310 1,311 1,312 1,313 339,314 3,317 33.89,318 73.536,321 56.278,322 63.28,325 1.22,326 15.23,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 43,338 158,339 4.496,340 3.689,341 6.945,342 4.255,343 3.277,344 4.082,345 2.186,346 11.722,347 3.207,348 3.948,349 3.514,350 6.238,351 3.727,352 2.774,353 3.104,354 0.916,355 9.242,356 2.644,357 3.6,358 2.946,359 5.282,360 3.263,361 2.309,362 2.762,363 0.366,364 6.501,365 2.174,366 3.139,367 2.196,368 4.992,369 2.909,370 1.93,371 2.294,372 0.172,373 5.617,374 1.888,375 2.976,376 2.053,377 4.823,378 2.759,379 1.806,380 2.108,382 5.111,383 1.711,384 2.81,385 1.716,386 4.223,387 2.479,388 1.487,389 1.844,391 3.716,392 1.474,393 2.168,394 1.511,395 3.763,396 2.059,397 1.107,398 1.153,400 2.635,401 1.048,402 2.08,403 1.302,404 3.324,405 1.915,406 0.935,407 1.022,409 1.863,410 0.909,411 1.848,412 0.863,413 3.106,414 1.762,415 0.776,416 0.817,418 1.608,419 0.764,420 1.252,421 0.638,422 2.598,423 0.927,424 -0.019,425 -0.022,427 -0.046,428 -0.018,429 0.776,430 0.052,431 2.48,432 0.56,433 -0.417,434 -0.445,436 -0.872,437 -0.404,438 0.705,439 -0.19,440 2.295,441 0.448,442 -0.527,443 -0.576,445 -1.034,446 -0.508,447 0.588,448 -0.297,449 2.128,450 0.369,451 -0.646,452 -0.801,454 -1.628,455 -0.648,456 0.38,457 -0.588,458 2,459 0.028,460 -0.952,461 -1.127,463 -2.375,464 -0.931,465 -0.038,466 -0.876,467 1.659,468 -0.177,469 -1.143,470 -1.379,472 -3.137,473 -1.099,474 9.467,475 0.473,476 0.469,477 0.023,478 21,479 1.05,480 8,481 0.4,482 13,483 0.65,484 18.419,485 0.921,486 22.933,487 0.546,488 13.373,489 0.669,490 3.821,491 0.191,492 5.882,493 0.294,494 0.141,496 0.359,501 0.784,502 1.463,503 0.897,504 1.25,505 0.574,506 1.107,507 0.638,508 1.003,509 0.915,510 0.965,511 0.387,512 0.962,513 0.895,514 1.055,515 0.959,516 1.059,517 0.664,518 1.02,519 1.139,520 1.088,521 1.001,522 1.074,523 0.913,524 1.032,525 1.391,526 1.018,527 1.142,528 1.026,529 1.378,530 1.055,531 1.068,532 1.127,533 1.013,534 1.116,535 1.267,536 1.066,537 1.604,538 0.809,539 1.224,540 0.88,541 1.689,542 0.995,543 0.73,544 1.219,545 0.945,546 1.158,547 1.08,548 1.091,549 3.5,550 0.02,551 2.444,552 1.66,553 1.098,554 0.583,555 0.342,556 0.261,557 0.14,558 0.06,559 3429,560 7285,561 2.077,562 52.4,563 4,564 11,567 1,569 6,572 1.622,573 1.935,574 2.958,575 -0.32,577 1,579 1,582 60.37,583 1.437,584 3.236,585 4.624,586 4.928,587 4.928,588 4.928,589 2.466,590 4.022,591 4.29,592 3.085,593 586.105,594 7.351,595 5792.93,596 1,597 1,599 1,600 226.477,601 1.441,602 4.248,603 0.159,604 0.007,605 0.079,606 0.052,607 0.037,608 0.024,609 0.018,610 0.02,611 0.013,612 0.012,613 0.42,614 0.83,615 1,616 1.491,617 86.908,618 -0.006,619 -0.177,620 0.069,621 -0.066,622 -0.004,624 0.278,625 0.166,626 0.07,627 0.088,628 0.234,629 0.06,630 -0.044,631 -0.006,632 0.003,633 -0.018,634 0.001,636 -0.07,637 -0.101,638 -0.017,639 -0.065,640 0.013,641 -0.038,642 -0.115,643 -0.052,644 -0.133,645 -0.053,646 -0.121,647 -0.094,648 -0.04,649 -0.178,650 -0.033,651 -0.152,652 -0.065,653 -0.098,654 -0.142,655 0.108,656 -0.191,657 0.029,658 -0.21,659 -0.08,660 0.037,661 -0.282,662 0.003,663 -0.205,664 0.037,665 -0.12,666 2.025,667 4.647,668 0.65,669 13.64,670 0.993,671 1.133,672 2.232,673 4.981,674 0.632,675 3.135,676 3.466,677 3.784,678 4.111,679 4.317,680 4.419,681 4.564,682 4.71,683 4.673,684 4.554,685 4.726,686 0.589,687 274.4,688 3.135,689 4.673,690 5.541,691 6.441,692 7.334,693 8.244,694 9.146,695 10.061,696 10.968,697 11.885,698 4.8,701 1,705 1,715 3,720 3,722 6,737 1,741 42,743 7,744 1,745 22,747 44,748 16,749 6,750 3,751 3,756 3,757 6,763 1,767 4,768 1,770 4,772 7,773 9,774 1,777 1,782 1,786 1,789 1,790 1,793 22,794 4,795 1,796 4,802 2,808 0.333,809 2,825 1,828 1,829 2,832 1,833 1,855 1,859 1,864 2,868 20,876 5,877 1,878 1,880 2,881 1,893 4.8,896 1,898 1,901 10.333,902 7.95,903 4.472,904 2.846,907 1.37,908 1.199,909 0.953,910 3.88,911 8.272,912 3.296,913 3.795,914 4.287,915 4.823,916 5.282,917 5.482,918 5.769,919 6.067,920 6.141,921 6.114,922 1,923 32,924 7.443,926 3.148,927 0.026,929 7.592,931 14.701,933 12.49,936 2.092,937 41.833,938 0.002,941 247.193,942 75.842,943 21.135,945 36.145,948 75.842,949 283.338,950 21.135,951 17.222,952 29.826,953 28.429,954 25.145,955 25.739,956 6.763,957 247.193,959 247.193,960 96.977,961 36.145,964 176.567,965 106.771,968 41.775,969 55.202,972 247.193,973 57.28,974 75.842,977 247.193,978 30.192,979 48.775,980 18.011,981 36.145,982 247.193,983 57.28,984 75.842,986 0.575,987 0.345,988 0.201,989 0.104,990 16,991 7,992 0.068,993 3,994 2,995 1.308,996 3.173,997 155.409,998 0.308,999 13,1000 86.439,1005 13.748,1006 5.645,1007 2.545,1009 57.28,1010 6.101,1015 3.295,1017 18.011,1018 380.315,1019 26,1024 11.647,1028 -0.359,1031 41.694,1032 47.567,1034 0.267,1035 0.6,1036 0.858,1037 0.914,1038 0.914,1039 0.914,1040 4.559,1041 0.935,1042 5.533,1043 2.635,1044 4.143,1045 4.477,1046 2.401,1047 6.392,1048 4.072,1049 5.721,1050 0.776,1051 7.117,1052 1.863,1053 3.761,1054 4.27,1055 1.847,1056 7.405,1057 3.657,1058 7.018,1059 -0.019,1060 8.807,1061 1.608,1062 5.765,1063 6.515,1064 3.519,1065 10.562,1066 5.631,1067 8.349,1068 -0.417,1069 10.561,1070 -0.046,1071 6.236,1072 7.142,1073 3.603,1074 12.447,1075 6.074,1076 9.717,1077 -0.527,1078 12.357,1079 -0.872,1080 7.712,1081 8.908,1082 4.91,1083 15.127,1084 7.529,1085 11.11,1086 -0.646,1087 14.183,1088 -1.034,1089 8.577,1090 9.924,1091 5.291,1092 17.356,1093 8.371,1094 12.523,1095 -0.952,1096 16.03,1097 -1.628,1098 9.852,1099 11.5,1100 6.388,1101 19.882,1102 9.628,1103 3.277,1104 -1.143,1105 17.895,1106 -2.375,1107 10.893,1108 12.706,1109 6.93,1110 22.245,1111 10.649,1112 2.774,1113 11.722,1114 19.772,1115 -3.137,1116 12.096,1117 14.198,1118 7.902,1119 24.722,1120 11.836,1121 2.309,1122 9.242,1123 21.659,1124 4.082,1125 13.213,1126 15.499,1127 8.539,1128 27.139,1129 12.933,1130 1.93,1131 6.501,1132 23.555,1133 3.104,1134 14.393,1135 16.95,1136 9.436,1137 29.6,1138 14.098,1139 1.806,1140 5.617,1141 25.457,1142 2.762,1143 15.544,1144 18.301,1145 10.13,1146 32.04,1147 15.229,1148 1.487,1149 5.111,1150 27.364,1151 2.294,1152 16.72,1153 19.73,1154 10.981,1155 34.498,1156 16.388,1157 1.107,1158 3.716,1159 29.276,1160 2.108,1161 17.886,1162 21.107,1163 11.71,1164 36.948,1165 17.535,1166 3430,1167 5088,1168 14.622,1169 26.534,1170 32.999,1171 34.054,1172 34.664,1173 32.831,1174 32.799,1175 38.371,1176 7.283,1177 96.029,1178 31.638,1179 5.455,1180 5.689,1181 6.717,1182 5.318,1183 5.277,1184 7.082,1185 3.889,1186 19.208,1187 5.207,1188 9.438,1189 1.5,1190 1.548,1191 1.576,1192 1.492,1193 1.491,1194 1.744,1195 0.331,1196 4.365,1197 1.438,1198 4.064,1199 4.098,1200 3.998,1201 3.984,1202 7.435,1203 3.983,1204 3.73,1205 3.775,1206 3.639,1207 3.595,1208 4.805,1209 3.595,1210 3.598,1211 3.671,1212 3.478,1213 3.363,1214 4.38,1215 3.374,1216 3.367,1217 3.448,1218 3.189,1219 3.204,1220 4.25,1221 3.19,1222 3.209,1223 3.237,1224 3.066,1225 2.928,1226 4.063,1227 2.965,1228 3.081,1229 3.184,1230 2.843,1231 2.882,1232 3.903,1233 2.86,1234 2.889,1235 2.956,1236 2.743,1237 2.729,1238 3.598,1239 2.728,1240 2.714,1241 2.796,1242 2.514,1243 2.559,1244 3.462,1245 2.538,1246 0.204,1247 0.168,1248 0.316,1249 0.193,1250 0.149,1251 4.496,1252 0.186,1253 3.689,1254 0.099,1255 6.945,1256 0.533,1257 4.255,1258 0.146,1259 3.277,1260 4.082,1261 2.186,1262 11.722,1263 3.207,1264 1.991,1265 1.967,1266 2.107,1267 2.079,1268 1.468,1269 2.088,1270 1.62,1271 1.567,1272 1.852,1273 1.829,1274 1.13,1275 1.832,1276 1.551,1277 1.473,1278 1.839,1279 1.793,1280 0.989,1281 1.813,1282 1.483,1283 1.405,1284 1.723,1285 1.689,1286 0.889,1287 1.706,1288 1.213,1289 1.145,1290 1.535,1291 1.422,1292 0.801,1293 1.459,1294 1.056,1295 1.019,1296 1.309,1297 1.391,1298 0.488,1299 1.365,1300 0.907,1301 0.819,1302 1.238,1303 1.156,1304 0.257,1305 1.205,1306 0.722,1307 0.652,1308 1.041,1309 0.914,1310 0.223,1311 0.961,1312 3.807,1314 5.13,1315 2.398,1316 6.663,1317 4.727,1318 8.304,1319 6.823,1320 10.007,1322 4.08,1328 5.233,1329 2.684,1330 5.468,1332 1.253,1333 2.429,1340 24.74,1341 60.37,1342 135.909,1343 194.213,1344 206.968,1345 206.968,1346 206.968,1347 28.239,1348 6.902,1349 41.57,1350 41.57,1351 17,1352 12.398,1353 3,1354 2.322,1355 29.846,1356 56,1357 68,1358 0.273,1359 151.939,1360 266.4,1361 362.492,1362 7965,1364 14.113,1365 0.706,1366 0.609,1367 14.113,1368 12.186,1369 9.703,1370 0.441,1371 0.34,1372 7.385,1373 9.331,1374 7.177,1375 5.958,1376 9.703,1377 7.481,1378 8.618,1379 0.278,1380 0.186,1381 8.618,1382 5.757,1383 7.314,1384 0.17,1385 0.106,1386 7.314,1387 4.551,1388 6.583,1389 0.11,1390 0.061,1391 6.583,1392 3.653,1393 5.089,1394 0.069,1395 0.035,1396 5.089,1397 2.604,1398 0.411,1399 60.724,1400 0.262,1401 19.488,1402 0.803,1403 106,1404 273.449,1405 116.555,1406 259.44,1407 357.33,1408 244,1409 127,1410 265.712,1411 136.811,1412 266.395,1413 394.8,1414 251,1415 6.406}
{0 CHEMBL363588,1 1.466,2 22.739,3 6.831,4 46.656,5 177.713,6 7.031,7 0.367,8 4.574,9 4.681,10 4.081,11 4.045,12 5.657,13 4.031,14 5.13,15 5.306,16 4.386,17 4.4,18 6.172,19 4.367,20 5.318,21 5.498,22 4.503,23 4.564,24 6.346,25 4.508,26 5.454,27 5.665,28 4.49,29 4.598,30 6.487,31 4.521,32 5.468,33 5.682,34 4.4,35 4.617,36 6.424,37 4.518,38 5.493,39 5.729,40 4.328,41 4.604,42 6.398,43 4.477,44 5.475,45 5.731,46 4.293,47 4.533,48 6.38,49 4.402,50 5.356,51 5.596,52 4.251,53 4.462,54 6.288,55 4.344,56 0.044,57 1.186,58 19.922,59 8.863,60 12.494,61 11.314,62 0.695,63 1.839,64 38.626,65 13.766,66 55.928,67 18.156,68 0.622,69 2.185,70 46.186,71 17.623,72 57.644,73 23.31,74 0.96,75 2.394,76 54.868,77 19.236,78 100.435,79 26.144,80 0.837,81 2.443,82 55.511,83 19.656,84 84.403,85 26.644,86 0.774,87 2.482,88 57.079,89 20.52,90 85.071,91 28.555,92 1.191,93 2.364,94 57.587,95 19.726,96 102.471,97 27.945,98 0.771,99 2.152,100 49.972,101 17.851,102 77.262,103 24.996,104 68,105 65,106 0.218,107 0.507,108 0.745,109 0.834,110 0.858,111 0.871,112 3.852,113 0.947,114 -3.22,115 -3.22,116 -3.09,121 40,123 5,126 5,127 4,137 1,138 1,144 9,145 3,146 6,159 1,161 1,176 14,179 1,180 14,183 2,187 15,191 2,192 15,200 9,205 3,206 17,211 2,214 8,218 1,219 12,224 2,227 11,231 1,232 6,237 1,239 12,243 5,244 5,247 1,251 13,255 3,256 7,264 10,269 11,274 1,277 8,281 5576,282 31.411,283 31.411,284 31.411,285 31.411,286 31.411,287 28.848,288 38.488,289 18.845,290 32.447,291 23.963,292 23.963,293 23.963,294 23.963,295 23.963,296 19.63,297 46.06,298 8.684,299 25.253,300 5.026,301 3.086,302 1.489,303 0.892,304 0.734,305 0.642,306 4.546,312 1,313 2204,314 5.148,318 683.9,322 259.947,325 3.577,326 46.963,329 0.75,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.71,337 101,338 1046,339 4.493,340 3.681,341 6.64,342 4.135,343 3.143,344 4.143,345 2.186,346 10.572,347 3.125,348 4.406,349 3.66,350 6.522,351 4,352 3.049,353 4.055,354 1.151,355 10.251,356 2.891,357 4.105,358 3.366,359 5.776,360 3.723,361 2.761,362 3.688,363 0.916,364 7.996,365 2.661,366 3.961,367 2.984,368 5.681,369 3.543,370 2.572,371 3.402,372 0.86,373 7.971,374 2.489,375 3.672,376 2.981,377 5.326,378 3.38,379 2.451,380 2.94,381 0.86,382 6.842,383 2.261,384 3.608,385 2.65,386 5.29,387 3.233,388 2.272,389 2.886,390 0.86,391 6.815,392 2.178,393 3.378,394 2.632,395 5.19,396 3.123,397 2.167,398 2.604,399 0.86,400 6.12,401 2.055,402 3.355,403 2.555,404 5.145,405 2.972,406 2.061,407 2.549,408 0.366,409 6.118,410 1.901,411 3.318,412 2.504,413 4.862,414 2.952,415 1.989,416 2.515,417 0.172,418 5.594,419 1.867,420 3.09,421 2.178,422 4.661,423 2.833,424 1.846,425 2.175,427 4.814,428 1.816,429 3.028,430 2.171,431 4.585,432 2.72,433 1.746,434 2.15,436 4.778,437 1.691,438 2.826,439 1.915,440 3.858,441 2.668,442 1.727,443 1.834,445 3.681,446 1.608,447 2.658,448 1.854,449 3.808,450 2.361,451 1.39,452 1.725,454 2.902,455 1.345,456 2.524,457 1.591,458 3.611,459 2.179,460 1.187,461 1.46,463 2.607,464 1.175,465 2.396,466 1.494,467 3.52,468 2.008,469 1.15,470 1.335,472 2.466,473 0.99,474 21.467,475 0.467,476 0.916,477 0.02,478 54.75,479 1.19,480 25.5,481 0.554,482 29.25,483 0.636,484 46.461,485 1.01,486 52.333,487 0.581,488 49.11,489 1.068,490 11.231,491 0.244,492 11.111,493 0.242,494 0.148,496 0.298,501 0.825,502 1.422,503 0.832,504 1.297,505 0.627,506 1.098,507 1.145,508 0.876,509 0.93,510 0.867,511 0.692,512 0.848,513 0.948,514 1.143,515 0.932,516 1.129,517 0.808,518 1.044,519 1.002,520 1.038,521 0.96,522 1.021,523 1.092,524 0.988,525 1.136,526 1.04,527 1.113,528 1.049,529 1.003,530 1.074,531 0.877,532 1.092,533 1.038,534 1.109,535 0.843,536 1.107,537 0.732,538 0.857,539 0.895,540 0.904,541 0.749,542 0.928,543 0.755,544 1.047,545 0.926,546 1.064,547 0.784,548 1.036,549 9,550 0.248,551 4,552 3.313,553 2.604,554 1.312,555 0.971,556 0.684,557 0.509,558 0.296,559 49119,560 133459,561 2.018,562 48.9,563 6,564 33,567 1,569 4,572 1.822,573 1.89,574 4.394,575 -0.414,582 131.934,583 1.466,584 3.406,585 5.002,586 5.6,587 5.758,588 5.85,589 3.841,590 5.132,591 5.495,592 4.647,593 4809.83,594 9.681,595 109377,600 584.267,601 1.394,602 5.453,603 0.184,604 0.006,605 0.062,606 0.047,607 0.038,608 0.021,609 0.017,610 0.013,611 0.01,612 0.006,613 0.404,614 0.33,615 0.63,616 1.08,617 284.154,618 -0.019,619 -0.196,620 0.063,621 -0.134,622 -0.014,623 -0.036,624 -0.037,625 0.225,626 0.057,627 0.159,628 0.075,629 0.136,630 0.032,631 -0.086,632 0.029,633 -0.071,634 0.052,635 -0.028,636 0.036,637 -0.032,638 0.029,639 -0.015,640 0.043,641 0.003,642 -0.131,643 -0.027,644 -0.131,645 -0.041,646 -0.081,647 -0.08,648 -0.027,649 -0.105,650 -0.074,651 -0.104,652 -0.029,653 -0.099,654 0.149,655 0.095,656 0.089,657 0.068,658 0.088,659 0.067,660 0.09,661 -0.067,662 0.041,663 -0.064,664 0.08,665 -0.028,666 2.137,667 6.245,668 0.478,669 85.41,670 1.004,671 1.127,672 1.995,673 3.98,674 0.64,675 3.912,676 4.19,677 4.431,678 4.663,679 4.86,680 4.913,681 5.017,682 5.124,683 5.193,684 5.22,685 13.122,686 0.609,687 632.82,688 3.912,689 5.434,690 6.263,691 7.122,692 7.969,693 8.836,694 9.692,695 10.564,696 11.427,697 12.303,698 2.2,701 1,705 1,715 9,720 9,722 18,727 1,737 1,739 5,741 90,743 21,744 3,745 49,747 93,748 36,749 18,750 9,751 9,752 3,756 4,757 5,770 5,772 22,773 14,777 3,782 2,784 1,786 3,793 44,794 10,795 1,796 10,802 2,808 0.75,809 8,829 4,833 1,849 1,850 1,855 1,859 3,864 5,868 46,876 9,877 1,878 6,881 1,893 8.9,896 2,898 6,901 24.333,902 17.617,903 10.639,904 5.317,907 3.819,908 1.441,909 0.936,910 13.777,911 12.488,912 4.127,913 4.649,914 5.175,915 5.691,916 6.196,917 6.424,918 6.736,919 7.025,920 7.298,921 7.566,922 0.933,923 71,924 17.039,926 6.954,927 0.026,929 7.739,931 32.553,933 25.515,936 2.239,937 103,941 506.157,942 226.372,943 21.135,945 116.289,948 226.372,949 622.447,950 21.135,951 49.442,952 44.08,953 94.762,954 55.423,955 113.327,956 6.763,957 506.157,959 506.157,960 247.507,961 116.289,964 459.073,965 163.374,968 47.204,969 190.827,970 9.476,972 506.157,973 137.424,974 226.372,977 506.157,978 82.168,979 147.329,980 18.011,981 116.289,982 506.157,983 137.424,984 226.372,986 0.562,987 0.333,988 0.18,989 0.096,990 25,991 13,992 0.183,993 17,994 1,995 1.091,996 5.656,997 430.796,998 0.091,999 22,1000 246.084,1005 35.299,1006 17.954,1007 10.221,1009 137.424,1010 16.561,1015 5.628,1017 18.011,1018 869.954,1019 61,1024 24.685,1026 1.781,1028 -0.027,1031 90.378,1032 101.391,1034 0.226,1035 0.525,1036 0.771,1037 0.863,1038 0.887,1039 0.901,1040 5.354,1041 2.061,1042 6.225,1043 6.12,1044 4.875,1045 5.338,1046 2.976,1047 6.995,1048 4.783,1049 6.528,1050 1.989,1051 7.757,1052 6.118,1053 4.369,1054 5.103,1055 1.847,1056 7.823,1057 4.256,1058 7.817,1059 1.846,1060 9.389,1061 5.594,1062 6.428,1063 7.454,1064 3.729,1065 10.91,1066 6.267,1067 9.142,1068 1.746,1069 11.08,1070 4.814,1071 6.746,1072 8.032,1073 3.603,1074 12.574,1075 6.567,1076 10.499,1077 1.727,1078 12.811,1079 4.778,1080 8.245,1081 9.867,1082 4.967,1083 15.184,1084 8.034,1085 11.88,1086 1.39,1087 14.569,1088 3.681,1089 8.967,1090 10.831,1091 5.291,1092 17.219,1093 8.74,1094 13.278,1095 1.187,1096 16.348,1097 2.902,1098 10.235,1099 12.449,1100 6.402,1101 19.661,1102 9.986,1103 3.143,1104 1.15,1105 18.145,1106 2.607,1107 11.161,1108 13.613,1109 6.93,1110 21.865,1111 10.898,1112 3.049,1113 10.572,1114 19.955,1115 2.466,1116 12.333,1117 15.125,1118 7.906,1119 24.246,1120 12.054,1121 2.761,1122 10.251,1123 21.777,1124 4.143,1125 13.36,1126 16.397,1127 8.539,1128 26.525,1129 13.068,1130 2.572,1131 7.996,1132 23.608,1133 4.055,1134 14.496,1135 17.856,1136 9.437,1137 28.883,1138 14.191,1139 2.451,1140 7.971,1141 25.448,1142 3.688,1143 15.572,1144 19.187,1145 10.13,1146 31.198,1147 15.256,1148 2.272,1149 6.842,1150 27.295,1151 3.402,1152 16.696,1153 20.619,1154 10.982,1155 33.548,1156 16.369,1157 2.167,1158 6.815,1159 29.148,1160 2.94,1161 17.797,1162 21.983,1163 11.71,1164 35.879,1165 17.459,1166 47410,1167 78430,1168 32.304,1169 57.637,1170 70.409,1171 73.869,1172 73.855,1173 69.993,1174 70.182,1175 87.049,1176 16.464,1177 193.497,1178 66.71,1179 5.457,1180 5.681,1181 6.53,1182 5.226,1183 5.143,1184 7.143,1185 3.889,1186 17.818,1187 5.125,1188 27.075,1189 1.437,1190 1.508,1191 1.507,1192 1.428,1193 1.432,1194 1.777,1195 0.336,1196 3.949,1197 1.361,1198 4.039,1199 4.051,1200 3.998,1201 3.95,1202 7.435,1203 3.959,1204 3.938,1205 3.966,1206 3.877,1207 3.855,1208 7.427,1209 3.856,1210 3.903,1211 3.909,1212 3.867,1213 3.815,1214 4.988,1215 3.824,1216 3.77,1217 3.827,1218 3.622,1219 3.642,1220 4.885,1221 3.626,1222 3.618,1223 3.676,1224 3.519,1225 3.449,1226 4.813,1227 3.459,1228 3.546,1229 3.589,1230 3.46,1231 3.391,1232 4.58,1233 3.389,1234 3.511,1235 3.564,1236 3.39,1237 3.217,1238 4.548,1239 3.258,1240 3.351,1241 3.428,1242 3.181,1243 3.154,1244 4.463,1245 3.151,1246 0.092,1247 0.075,1248 0.136,1249 0.084,1250 0.064,1251 4.493,1252 0.085,1253 3.681,1254 0.045,1255 6.64,1256 0.216,1257 4.135,1258 0.064,1259 3.143,1260 4.143,1261 2.186,1262 10.572,1263 3.125,1264 1.962,1265 1.954,1266 2.054,1267 2.067,1268 1.392,1269 2.056,1270 1.911,1271 1.885,1272 2.035,1273 2.027,1274 1.21,1275 2.034,1276 1.864,1277 1.855,1278 2.003,1279 1.98,1280 1.179,1281 1.975,1282 1.775,1283 1.716,1284 1.94,1285 1.932,1286 1.107,1287 1.948,1288 1.584,1289 1.528,1290 1.835,1291 1.804,1292 1.06,1293 1.813,1294 1.503,1295 1.469,1296 1.693,1297 1.73,1298 0.86,1299 1.718,1300 1.404,1301 1.335,1302 1.676,1303 1.671,1304 0.814,1305 1.673,1306 1.345,1307 1.264,1308 1.645,1309 1.573,1310 0.683,1311 1.603,1312 4.595,1314 5.883,1316 7.366,1318 8.946,1320 10.583,1322 8.297,1328 7.958,1329 2.456,1330 33.385,1333 2.275,1340 54.824,1341 131.934,1342 306.569,1343 450.214,1344 503.963,1345 518.228,1346 526.492,1347 114.232,1348 8.669,1349 104.79,1350 104.79,1351 24,1352 12.845,1353 4.459,1354 3.7,1355 92.693,1356 370,1357 356,1358 0.117,1359 336.951,1360 609.86,1361 813.92,1362 103181,1364 32.89,1365 0.715,1366 0.595,1367 32.89,1368 27.351,1369 22.342,1370 0.456,1371 0.316,1372 15.158,1373 21.175,1374 14.659,1375 12.306,1376 22.342,1377 15.467,1378 18.969,1379 0.292,1380 0.17,1381 18.969,1382 11.045,1383 15.735,1384 0.19,1385 0.092,1386 15.735,1387 7.619,1388 12.843,1389 0.122,1390 0.05,1391 12.843,1392 5.247,1393 10.139,1394 0.079,1395 0.028,1396 10.139,1397 3.535,1398 0.199,1399 142.438,1400 0.176,1401 42.134,1402 0.285,1403 228,1404 751.862,1405 255.715,1406 692.759,1407 930.78,1408 652,1409 262,1410 660.26,1411 289.97,1412 666.797,1413 968.4,1414 618,1415 5.008}
{0 CHEMBL363855,1 1.321,2 6.308,3 1.376,4 1.893,5 50.905,6 7.049,7 0.462,8 3.256,9 3.364,10 2.752,11 2.861,12 4.411,13 2.809,14 3.75,15 3.922,16 3.002,17 3.159,18 4.864,19 3.079,20 3.986,21 4.182,22 2.95,23 3.176,24 5.195,25 3.081,26 3.882,27 4.1,28 2.757,29 2.992,30 5.085,31 2.888,32 3.713,33 3.948,34 2.669,35 2.818,36 5.096,37 2.713,38 3.524,39 3.757,40 2.337,41 2.645,42 4.677,43 2.52,44 3.285,45 3.52,46 2.082,47 2.405,48 4.445,49 2.267,50 3.063,51 3.356,52 1.475,53 2,54 4.072,55 1.795,56 0.002,57 0.298,58 4.985,59 2.557,60 4.455,61 3.254,62 0.02,63 0.47,64 8.905,65 4.054,66 12.729,67 5.333,68 0.16,69 0.549,70 12.361,71 4.643,72 45.189,73 5.94,74 0.148,75 0.485,76 11.357,77 4.107,78 40.305,79 5.335,80 0.187,81 0.409,82 9.61,83 3.511,84 49.353,85 4.753,86 0.102,87 0.338,88 7.898,89 2.897,90 27.186,91 3.845,92 0.059,93 0.267,94 6.094,95 2.301,96 16.553,97 3.1,98 0.064,99 0.203,100 5.12,101 1.774,102 16.386,103 2.5,104 14,105 16,106 0.269,107 0.564,108 0.693,109 0.787,110 0.81,111 0.81,112 2.663,113 0.987,114 -3.28,115 -3.27,116 -3.13,121 44,122 1,123 2,144 5,145 1,158 1,159 1,176 7,180 4,187 8,192 4,200 7,206 2,214 4,218 1,219 3,227 4,232 2,239 3,244 2,251 2,256 1,264 1,281 158,282 8.466,283 8.466,284 8.466,285 8.466,286 8.466,287 7.416,288 5.283,289 5.305,290 8.385,291 6.411,292 6.411,293 6.411,294 6.411,295 6.411,296 4.84,297 4.186,298 2.538,299 6.266,300 3.323,301 1.875,302 1.245,303 0.78,304 0.67,305 0.67,306 3.272,311 1,312 1,313 159,314 2.915,318 45.198,325 1.101,326 16.048,329 1,330 0.83,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.85,337 28,338 82,339 4.143,340 3.637,341 6.019,342 3.812,343 2.788,344 3.671,345 2.178,346 8.542,347 2.851,348 3.549,349 3.518,350 4.683,351 3.255,352 2.206,353 2.734,354 1.277,355 5.225,356 2.307,357 3.255,358 2.188,359 4.22,360 2.804,361 1.776,362 2.5,364 4.048,365 1.82,366 2.595,367 1.326,368 3.461,369 2.156,370 1.14,371 1.581,373 2.609,374 1.155,375 2.5,376 1.3,377 3.247,378 2,379 1,380 1.5,382 2.136,383 1,384 1.702,385 1,386 2.662,387 1.412,388 0.352,389 0.43,391 0.744,392 0.37,393 0.751,394 0.497,395 1.893,396 0.281,397 -0.742,398 -0.975,400 -1.603,401 -0.753,402 0.54,403 -0.073,404 1.555,405 0.123,406 -1,407 -1.208,409 -2,410 -1,411 0.5,412 -0.613,413 1.391,414 0.042,415 -1,416 -1.5,418 -2.347,419 -1.041,420 0.197,421 -1,422 1,424 -1,425 -1.519,427 -2.506,428 -1.12,429 -0.383,430 -1.234,431 1,432 -0.583,433 -1.615,434 -2,435 -0.68,436 -4.154,437 -1.676,438 -0.5,439 -1.707,440 0.671,441 -0.901,442 -1.904,443 -2.214,444 -1.277,445 -4.789,446 -1.912,447 -0.85,448 -2,449 0.198,450 -1,451 -2,452 -3,453 -1.498,454 -5.905,455 -2,474 6.167,475 0.474,476 0.302,477 0.023,478 16,479 1.231,480 9,481 0.692,482 7,483 0.538,484 7.589,485 0.584,486 14.233,487 0.569,488 9.426,489 0.725,490 3.326,491 0.256,492 2.872,493 0.221,494 0.189,496 0.243,501 0.48,502 1.091,503 0.82,504 1.088,505 0.512,506 1.023,507 0.56,508 1.16,509 0.857,510 1.152,511 0.587,512 1.069,513 1.401,514 1.012,515 1.174,516 1.012,517 1.406,518 1.049,519 1.391,520 0.995,521 1.126,522 0.991,523 1.386,524 1.011,525 0.792,526 0.926,527 0.84,528 0.921,529 0.783,530 0.894,531 1.222,532 0.944,533 1.099,534 0.95,535 1.19,536 0.995,537 1.006,538 1.124,539 1.092,540 1.126,541 0.989,542 1.123,543 0.975,544 0.927,545 1.023,546 0.937,547 0.969,548 0.98,549 2.5,551 1.333,552 0.563,553 0.351,554 0.264,555 0.142,556 0.066,557 0.041,559 995,560 3120,561 1.872,562 48,564 5,568 7,572 1.48,573 1.733,574 2.734,575 -0.822,579 1,582 33.023,583 1.321,584 2.769,585 3.399,586 3.863,587 3.974,588 3.974,589 2.237,590 2.815,591 3.672,592 2.825,593 220.319,594 6.063,595 1661.37,597 1,600 116.096,601 1.457,602 3.613,603 0.192,605 0.083,606 0.04,607 0.032,608 0.026,609 0.02,610 0.013,611 0.02,613 0.428,614 0.83,615 1,616 1.911,617 48.38,622 -0.023,624 0.038,625 -0.139,626 0.018,627 -0.127,628 0.014,629 -0.069,630 -0.197,631 -0.047,632 -0.195,633 -0.059,634 -0.199,635 -0.116,636 -0.165,637 -0.053,638 -0.128,639 -0.057,640 -0.158,641 -0.082,642 0.269,643 0.01,644 0.152,645 0.015,646 0.277,647 0.057,648 -0.146,649 -0.006,650 -0.115,651 -0.013,652 -0.114,653 -0.052,654 -0.069,655 -0.188,656 -0.129,657 -0.187,658 -0.055,659 -0.171,660 -0.056,661 -0.042,662 -0.023,663 -0.038,664 -0.059,665 -0.027,666 1.629,667 4.397,668 0.462,669 7.089,670 0.998,671 1.116,672 2.048,673 4.193,674 0.659,675 2.639,676 2.833,677 2.89,678 2.944,679 3.045,680 2.708,681 2.565,682 2.197,683 1.946,684 1.609,685 4.01,686 0.624,687 176.23,688 2.639,689 4.078,690 4.828,691 5.624,692 6.402,693 7.201,694 7.99,695 8.79,696 9.584,697 10.386,715 5,720 1,722 6,727 1,741 25,743 8,744 1,745 13,747 25,748 11,749 6,750 1,751 5,752 1,756 1,757 1,763 1,770 2,772 8,773 3,777 2,782 2,786 2,793 12,794 2,796 2,808 1,809 2,829 1,841 1,859 1,864 1,868 13,876 2,893 8,896 2,901 7.5,902 4.75,903 3.028,904 1.507,907 1.32,908 1.266,909 0.906,910 3.389,911 6.276,912 2.944,913 3.384,914 3.732,915 4.105,916 4.537,917 4.202,918 4.343,919 3.841,920 3.841,921 3.841,922 1,923 14,924 4.799,925 -0.003,926 1.908,927 0.026,929 8.115,931 8.955,932 -0.001,933 6.76,934 -0.002,936 2.615,937 34,938 0.006,941 141.253,942 74.728,945 50.29,948 74.728,949 191.543,951 8.825,952 5.069,953 47.381,954 60.557,955 3.186,957 141.253,959 141.253,960 74.728,961 50.29,964 141.253,965 50.29,968 13.894,969 60.834,972 141.253,973 50.29,974 74.728,977 141.253,978 18.522,979 56.206,981 50.29,982 141.253,983 50.29,984 74.728,986 0.555,987 0.285,988 0.135,989 0.078,990 6,991 3,992 0.16,993 4,995 1,996 2.522,997 67.797,999 6,1000 44.106,1005 9.658,1006 4.561,1007 3.203,1009 50.29,1010 9.036,1015 0.684,1018 266.271,1019 18,1024 22.024,1028 0.097,1031 24.956,1032 27.91,1034 0.284,1035 0.596,1036 0.732,1037 0.832,1038 0.856,1039 0.856,1040 4.086,1041 -1,1042 4.762,1043 -1.603,1044 3.497,1045 4.06,1046 2.461,1047 5.407,1048 3.544,1049 5.243,1050 -1,1051 6.229,1052 -2,1053 2.944,1054 3.651,1055 2.036,1056 6.071,1057 3.063,1058 6.493,1059 -1,1060 7.8,1061 -2.347,1062 4.92,1063 6.048,1064 3.529,1065 9.052,1066 5.014,1067 7.775,1068 -1.615,1069 9.435,1070 -2.506,1071 5.142,1072 6.377,1073 3.746,1074 10.584,1075 5.311,1076 9.085,1077 -1.904,1078 11.113,1079 -4.154,1080 6.624,1081 8.312,1082 4.852,1083 13.068,1084 6.766,1085 10.415,1086 -2,1087 12.822,1088 -4.789,1089 7.225,1090 9.007,1091 5.379,1092 14.951,1093 7.43,1094 11.761,1096 14.553,1097 -5.905,1098 8.475,1099 10.717,1100 6.306,1101 17.244,1102 8.664,1103 2.788,1105 16.3,1107 9.276,1108 11.625,1109 6.973,1110 19.275,1111 9.514,1112 2.206,1113 8.542,1114 18.059,1116 10.41,1117 13.2,1118 7.819,1119 21.486,1120 10.645,1121 1.776,1122 5.225,1123 19.827,1124 3.671,1125 11.317,1126 14.242,1127 8.548,1128 23.58,1129 11.59,1130 1.14,1131 4.048,1132 21.602,1133 2.734,1134 12.395,1135 15.728,1136 9.357,1137 25.756,1138 12.673,1139 1,1140 2.609,1141 23.382,1142 2.5,1143 13.358,1144 16.858,1145 10.114,1146 27.878,1147 13.668,1148 0.352,1149 2.136,1150 25.165,1151 1.581,1152 14.407,1153 18.283,1154 10.907,1155 30.037,1156 14.729,1157 -0.742,1158 0.744,1159 26.952,1160 1.5,1161 15.4,1162 19.471,1163 11.675,1164 32.172,1165 15.749,1166 1111,1167 2006,1168 8.148,1169 16.477,1170 18.873,1171 19.625,1172 19.045,1173 18.509,1174 18.523,1175 24.831,1176 6.912,1177 46.608,1178 19.005,1179 4.992,1180 5.637,1181 5.821,1182 4.812,1183 4.788,1184 6.671,1185 3.677,1186 14.447,1187 4.851,1188 6.853,1189 1.452,1190 1.51,1191 1.465,1192 1.424,1193 1.425,1194 1.91,1195 0.532,1196 3.585,1197 1.462,1198 3.935,1199 3.96,1200 3.87,1201 3.867,1202 7.431,1203 3.864,1204 3.679,1205 3.718,1206 3.569,1207 3.532,1208 7.423,1209 3.533,1210 3.321,1211 3.359,1212 3.221,1213 3.129,1214 4.726,1215 3.142,1216 2.874,1217 2.951,1218 2.687,1219 2.735,1220 3.907,1221 2.715,1222 2.854,1223 2.925,1224 2.652,1225 2.703,1226 3.674,1227 2.679,1228 2.541,1229 2.615,1230 2.335,1231 2.277,1232 3.648,1233 2.277,1234 2.275,1235 2.293,1236 2.094,1237 1.824,1238 3.465,1239 1.886,1240 1.962,1241 2.076,1242 1.548,1243 1.503,1244 2.602,1245 1.503,1246 0.319,1247 0.28,1248 0.463,1249 0.293,1250 0.214,1251 4.143,1252 0.282,1253 3.637,1254 0.168,1255 6.019,1256 0.657,1257 3.812,1258 0.219,1259 2.788,1260 3.671,1261 2.178,1262 8.542,1263 2.851,1264 1.917,1265 1.893,1266 2.038,1267 2.008,1268 1.184,1269 2.018,1270 1.654,1271 1.612,1272 1.872,1273 1.832,1274 1.02,1275 1.845,1276 1.275,1277 1.229,1278 1.572,1279 1.506,1280 0.654,1281 1.523,1282 0.887,1283 0.821,1284 1.181,1285 1.117,1286 0.266,1287 1.137,1288 0.886,1289 0.814,1290 1.168,1291 1.062,1292 0.218,1293 1.107,1294 0.514,1295 0.433,1296 0.924,1297 0.813,1298 0.063,1299 0.849,1300 0.068,1301 0.035,1302 0.396,1303 0.542,1305 0.48,1308 0.381,1309 0.377,1311 0.36,1312 3.296,1314 4.511,1316 5.911,1318 7.39,1320 8.91,1322 1.498,1328 0.66,1340 15.59,1341 33.023,1342 69.226,1343 84.977,1344 96.587,1345 99.342,1346 99.342,1347 26.396,1348 4.956,1349 34.14,1350 34.14,1351 6,1352 10.983,1353 3.17,1354 2.585,1355 24.94,1356 30,1357 26,1358 0.42,1359 102.248,1360 179.98,1361 241.246,1362 594,1364 9.682,1365 0.745,1366 0.586,1367 9.682,1368 7.617,1369 6.198,1370 0.477,1371 0.329,1372 4.248,1373 6.051,1374 4.09,1375 3.435,1376 6.198,1377 4.276,1378 5.347,1379 0.334,1380 0.187,1381 5.347,1382 2.991,1383 3.654,1384 0.215,1385 0.106,1386 3.654,1387 1.8,1388 2.535,1389 0.141,1390 0.059,1391 2.535,1392 1.058,1393 2.01,1394 0.1,1395 0.034,1396 2.01,1397 0.671,1398 0.639,1399 38.345,1400 0.35,1401 13.468,1402 1.184,1403 58,1404 197.471,1405 62.207,1406 189.418,1407 239.71,1408 174,1409 62,1410 155.273,1411 65.322,1412 158.192,1413 220.08,1414 148,1415 4}
{0 CHEMBL363919,1 1.406,2 3.5,3 0.033,4 0.001,5 28.941,6 7.009,8 2.844,9 2.949,10 2.336,11 2.394,12 3.929,13 2.355,14 3.432,15 3.611,16 2.618,17 2.74,18 4.464,19 2.664,20 3.725,21 3.942,22 2.453,23 2.671,24 4.951,25 2.575,26 3.353,27 3.635,28 1.894,29 2.027,30 4.818,31 1.892,32 2.256,33 2.54,34 0.39,35 0.821,36 3.497,37 0.708,56 0.015,57 0.203,58 3.328,59 1.713,60 7.409,61 2.15,62 0.049,63 0.328,64 6.613,65 2.803,66 19.649,67 3.764,68 0.244,69 0.351,70 10.082,71 2.932,72 60.429,73 4.033,74 0.261,75 0.205,76 7.337,77 1.746,78 63.262,79 2.671,80 0.108,81 0.049,82 2.494,83 0.395,84 23,85 0.601,104 5,105 10,106 0.337,107 0.51,108 0.689,109 0.689,110 0.689,111 0.689,112 2.263,113 1.058,114 -1.29,115 -1.38,116 -1.44,121 37.5,123 4,158 2,176 2,180 4,187 3,192 2,200 1,205 1,206 2,281 18,282 5.138,283 5.138,284 5.138,285 5.138,286 5.138,287 4.828,288 6.311,289 3.174,290 5.064,291 3.949,292 3.949,293 3.949,294 3.949,295 3.949,296 3.371,297 5.568,298 1.528,299 3.809,300 2.594,301 1.875,302 1.125,303 1.125,304 1.125,305 1.125,306 2.805,312 1,313 54,314 1,318 22.133,325 0.5,326 13.811,329 1,330 0.67,331 0.83,332 1,333 0.5,334 1,335 1,336 0.86,337 18,338 28,339 3.861,340 3.808,341 5.343,342 3.639,343 2.596,344 3.066,345 2.414,346 6.939,347 2.698,348 3.303,349 3.395,350 4.562,351 2.949,352 1.879,353 2.414,354 2.006,355 4.84,356 2,357 2.254,358 1.514,359 3.471,360 2.194,361 1.183,362 1.222,364 2.57,365 1.194,366 1,367 0.978,368 2,369 0.721,370 -0.347,371 -0.414,373 -0.751,374 -0.368,375 1,376 0.744,377 2,378 0.582,379 -0.516,380 -0.652,381 -0.327,382 -1.233,383 -0.558,384 -0.115,385 -0.541,386 1.186,387 -0.215,388 -1.263,389 -1.636,390 -0.964,391 -3.276,392 -1.335,393 -0.303,394 -0.734,395 1,396 -0.47,397 -1.532,398 -2,399 -1.407,400 -3.621,401 -1.632,402 -1,403 -1.645,404 0.438,405 -1,406 -2,407 -2,408 -1.721,409 -5.468,410 -2,474 3.667,475 0.458,476 0.212,477 0.027,478 7.5,479 0.938,480 3,481 0.375,482 4.5,483 0.563,484 4.867,485 0.608,486 9.533,487 0.596,488 3.559,489 0.445,490 1.376,491 0.172,492 2.411,493 0.301,494 0.182,496 0.273,501 0.473,502 1.25,503 0.782,504 1.245,505 0.467,506 1.115,507 0.505,508 1.333,509 0.834,510 1.328,511 0.535,512 1.19,513 1.344,514 1.026,515 1.218,516 1.028,517 1.333,518 1.081,519 0.971,520 0.741,521 0.88,522 0.742,523 0.973,524 0.781,525 2.331,527 1.405,528 0.015,529 2.281,530 0.404,549 2,551 0.667,552 0.5,553 0.222,559 218,560 788,561 1.861,562 50,563 2,568 6,572 1.303,573 1.714,574 2.035,575 -0.71,582 22.49,583 1.406,584 2.125,585 2.875,586 2.875,587 2.875,588 2.875,589 1,590 1.561,591 2.984,592 1.892,593 52.98,594 4.664,595 284.491,600 64,601 1.5,602 2.906,603 0.25,605 0.067,606 0.071,607 0.074,613 0.462,614 1,615 1,616 0.875,617 21.708,622 0.026,624 0.042,625 -0.254,626 -0.005,627 -0.241,628 0.01,629 -0.151,630 -0.238,631 -0.138,632 -0.252,633 -0.147,634 -0.222,635 -0.195,636 0.171,637 0.007,638 0.145,639 0.014,640 0.154,641 0.064,642 -0.575,643 0.601,644 -0.239,645 0.573,646 -0.529,647 0.301,666 1.554,667 3.453,668 0.75,669 1.875,670 1.012,671 1.13,672 0.062,673 0.004,674 0.622,675 2.197,676 2.398,677 2.398,678 2.485,679 2.398,680 1.792,685 2.383,686 0.596,687 112.14,688 2.197,689 3.611,690 4.344,691 5.142,692 5.889,693 6.691,694 7.441,695 8.244,696 8.995,697 9.798,741 16,743 2,745 8,747 16,748 6,756 1,757 1,767 4,770 4,772 2,773 4,777 2,782 2,786 2,793 8,794 2,796 2,808 1,809 2,829 1,841 2,859 1,868 8,876 4,893 12.5,896 2,901 4.667,902 2.833,903 1.833,904 1.083,907 0.368,908 1.089,909 0.883,910 1.426,911 4.511,912 2.398,913 2.708,914 2.708,915 2.944,916 2.708,917 2.565,922 0.333,923 7,924 2.972,925 0.063,926 1.229,927 0.082,929 8.417,931 5.571,932 0.026,933 4.449,934 0.043,935 0.004,936 2.917,937 23.333,938 0.037,941 94.169,942 20.405,945 50.29,948 20.405,949 144.459,952 10.138,954 60.557,957 94.169,959 94.169,960 20.405,961 50.29,964 94.169,965 50.29,968 10.138,969 10.267,972 94.169,973 50.29,974 20.405,977 94.169,978 20.405,981 50.29,982 94.169,983 50.29,984 20.405,986 0.563,987 0.284,988 0.139,989 0.06,990 5,991 2,995 1,996 1.918,997 33.496,999 6,1000 18,1005 5.487,1006 2.079,1007 1.425,1009 50.29,1018 164.864,1019 10,1024 20.905,1028 0.225,1031 16.189,1032 18.08,1034 0.351,1035 0.531,1036 0.719,1037 0.719,1038 0.719,1039 0.719,1040 3.555,1041 -2,1042 4.29,1043 -3.621,1044 3.045,1045 3.367,1046 2.823,1047 4.905,1048 3.118,1049 4.673,1051 5.733,1052 -5.468,1053 2.565,1054 3.219,1055 2.661,1056 5.38,1057 2.734,1058 5.916,1060 7.265,1062 4.443,1063 5.106,1064 4.17,1065 8.318,1066 4.589,1067 7.179,1069 8.839,1071 4.615,1072 5.638,1073 4.543,1074 9.47,1075 4.872,1076 8.465,1078 10.439,1080 6.075,1081 7.074,1082 5.699,1083 11.951,1084 6.296,1085 9.763,1087 12.054,1089 6.592,1090 7.918,1091 6.315,1092 13.428,1093 6.915,1094 11.07,1096 13.68,1098 7.831,1099 9.163,1100 7.319,1101 15.69,1102 8.128,1103 2.596,1105 15.315,1107 8.535,1108 10.153,1109 8.057,1110 17.348,1111 8.922,1112 1.879,1113 6.939,1114 16.956,1116 9.653,1117 11.32,1118 8.992,1119 19.486,1120 10.029,1121 1.183,1122 4.84,1123 18.603,1124 3.066,1125 10.463,1126 12.377,1127 9.793,1128 21.252,1129 10.915,1130 -0.347,1131 2.57,1132 20.254,1133 2.414,1134 11.513,1135 13.513,1136 10.695,1137 23.314,1138 11.968,1139 -0.516,1140 -0.751,1141 21.909,1142 1.222,1143 12.382,1144 14.603,1145 11.531,1146 25.145,1147 12.903,1148 -1.263,1149 -1.233,1150 23.567,1151 -0.414,1152 13.393,1153 15.727,1154 12.419,1155 27.161,1156 13.928,1157 -1.532,1158 -3.276,1159 25.227,1160 -0.652,1161 14.298,1162 16.832,1163 13.274,1164 29.033,1165 14.889,1166 270,1167 536,1168 4.97,1169 9.955,1170 11.335,1171 11.872,1172 11.75,1173 11.265,1174 11.316,1175 13.406,1176 8.839,1177 28.697,1178 11.785,1179 4.861,1180 5.453,1181 4.904,1182 4.639,1183 4.596,1184 5.066,1185 4.135,1186 12.407,1187 4.698,1188 3.565,1189 1.417,1190 1.484,1191 1.469,1192 1.408,1193 1.415,1194 1.676,1195 1.105,1196 3.587,1197 1.473,1198 3.866,1199 3.898,1200 3.77,1201 3.727,1202 7.441,1203 3.73,1204 3.166,1205 3.2,1206 3.084,1207 2.938,1208 7.411,1209 2.958,1210 3.129,1211 3.187,1212 2.934,1213 2.933,1214 4.009,1215 2.926,1216 2.203,1217 2.265,1218 1.942,1219 1.756,1220 3.286,1221 1.802,1222 2.146,1223 2.252,1224 1.85,1225 1.756,1226 3.123,1227 1.74,1228 1.883,1229 1.999,1230 1.402,1231 1.396,1232 2.228,1233 1.4,1234 0.941,1235 1.207,1236 0.083,1237 0.38,1238 1.193,1239 0.262,1240 0.941,1241 1.207,1242 0.083,1243 0.38,1244 1.125,1245 0.262,1246 0.483,1247 0.476,1248 0.668,1249 0.455,1250 0.325,1251 3.861,1252 0.383,1253 3.808,1254 0.302,1255 5.343,1256 0.867,1257 3.639,1258 0.337,1259 2.596,1260 3.066,1261 2.414,1262 6.939,1263 2.698,1264 1.825,1265 1.791,1266 2.015,1267 1.991,1268 1.312,1269 1.998,1270 1.128,1271 1.057,1272 1.445,1273 1.364,1274 0.694,1275 1.394,1276 1.081,1277 1.045,1278 1.352,1279 1.342,1280 0.564,1281 1.335,1282 0.139,1284 0.736,1285 0.55,1287 0.614,1288 0.024,1290 0.263,1291 0.516,1293 0.451,1296 0.167,1297 0.307,1299 0.278,1312 2.833,1314 4.043,1316 5.451,1318 6.948,1320 8.48,1328 2.204,1340 9.537,1341 22.49,1342 34,1343 46,1344 46,1345 46,1346 46,1347 13.384,1348 4.143,1349 34.14,1350 34.14,1351 6,1352 10.405,1353 1.585,1354 1.585,1355 11.963,1356 13,1357 6,1358 0.612,1359 63.069,1360 112.3,1361 145.648,1362 182,1364 5.983,1365 0.748,1366 0.581,1367 5.983,1368 4.645,1369 3.788,1370 0.473,1371 0.353,1372 2.795,1373 3.645,1374 2.735,1375 2.243,1376 3.788,1377 2.822,1378 3.377,1379 0.338,1380 0.211,1381 3.377,1382 2.108,1383 2.199,1384 0.22,1385 0.131,1386 2.199,1387 1.306,1388 1.737,1389 0.158,1390 0.08,1391 1.737,1392 0.879,1393 0.971,1394 0.097,1395 0.052,1396 0.971,1397 0.519,1398 0.834,1399 23.881,1400 0.449,1401 7.614,1402 1.945,1403 36,1404 143.471,1405 40.207,1406 131.785,1407 159.04,1408 120,1409 38,1410 95.273,1411 41.322,1412 94.117,1413 130.48,1414 88,1415 4}
{0 CHEMBL364125,1 1.492,2 11.481,3 2.287,4 5.232,5 108.718,6 6.888,7 0.345,8 4.116,9 4.23,10 3.66,11 3.622,12 5.09,13 3.564,14 4.726,15 4.919,16 4.029,17 4.052,18 5.577,19 3.967,20 4.979,21 5.173,22 4.186,23 4.301,24 5.864,25 4.178,26 5.217,27 5.466,28 4.127,29 4.362,30 6.039,31 4.191,32 5.204,33 5.476,34 4.03,35 4.252,36 6.014,37 4.074,38 4.963,39 5.195,40 3.881,41 4.154,42 5.83,43 3.966,44 4.915,45 5.178,46 3.722,47 4.023,48 5.793,49 3.826,50 4.672,51 4.9,52 3.608,53 3.85,54 5.587,55 3.687,56 0.017,57 0.776,58 14.238,59 6.084,60 8.883,61 7.805,62 0.353,63 1.288,64 28.813,65 9.981,66 23.387,67 12.908,68 0.426,69 1.672,70 37.717,71 14.007,72 30.087,73 18.289,74 0.368,75 1.931,76 47.873,77 17.145,78 45.274,79 22.853,80 0.672,81 1.785,82 50.753,83 16.25,84 59.439,85 21.221,86 0.328,87 1.54,88 41.117,89 14.208,90 41.34,91 18.089,92 0.546,93 1.393,94 37.856,95 12.863,96 60.264,97 16.858,98 0.297,99 1.135,100 29.41,101 10.358,102 38.51,103 13.346,104 37,105 41,106 0.248,107 0.514,108 0.738,109 0.832,110 0.849,111 0.855,112 3.34,113 1.086,114 0.21,115 0.05,116 -0.17,121 36.8,123 3,124 1,126 4,127 4,144 3,145 1,146 2,154 2,159 1,176 5,180 3,187 7,189 2,191 1,192 7,194 1,200 6,203 2,206 5,214 5,219 6,221 1,227 6,232 2,239 5,241 2,243 2,244 2,251 2,253 1,255 1,256 4,266 2,269 4,281 1098,282 18.248,283 18.248,284 18.248,285 18.248,286 18.248,287 17.071,288 21.947,289 10.613,290 19.075,291 14.11,292 14.11,293 14.11,294 14.11,295 14.11,296 12.047,297 25.559,298 4.761,299 15.169,300 4.341,301 2.74,302 1.387,303 0.825,304 0.72,305 0.685,306 4.019,311 1,312 1,313 649,314 3.742,317 60.086,318 76.936,319 100.432,321 114.721,325 1.833,326 23.995,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 58.5,338 310,339 4.573,340 3.735,341 6.969,342 4.192,343 3.275,344 4.504,345 1.277,346 11.77,347 3.045,348 4.278,349 3.622,350 6.511,351 4.088,352 3.139,353 3.604,354 1.2,355 10.266,356 2.948,357 4.136,358 3.244,359 6.267,360 3.837,361 2.855,362 3.277,363 0.86,364 9.367,365 2.792,366 3.806,367 2.729,368 5.875,369 3.43,370 2.489,371 3.139,372 0.86,373 8.092,374 2.32,375 3.178,376 2.215,377 5.108,378 2.855,379 1.888,380 2.471,381 0.86,382 5.826,383 1.814,384 3.108,385 2.164,386 4.717,387 2.698,388 1.771,389 2.217,391 5.118,392 1.627,393 2.503,394 2.086,395 3.943,396 2.357,397 1.477,398 1.492,400 2.95,401 1.308,402 2.399,403 1.647,404 3.873,405 2.275,406 1.296,407 1.376,409 2.841,410 1.249,411 2.391,412 1.427,413 3.835,414 1.991,415 1.136,416 1.333,418 2.751,419 0.958,420 2.24,421 1.338,422 3.646,423 1.864,424 0.869,425 1.123,427 2.187,428 0.84,429 1.554,430 1.002,431 2.952,432 1.326,433 0.396,434 0.415,436 0.748,437 0.359,438 1.486,439 0.794,440 2.887,441 1.206,442 0.348,443 0.376,445 0.481,446 0.298,447 1.439,448 0.518,449 2.804,450 1.121,451 0.241,452 0.311,454 0.458,455 0.209,456 1.084,457 0.428,458 2.73,459 0.987,460 0.038,461 0.039,463 0.07,464 0.036,465 0.772,466 -0.051,467 2.483,468 0.633,469 -0.347,470 -0.357,472 -0.887,473 -0.337,474 13.067,475 0.484,476 0.68,477 0.025,478 27.75,479 1.028,480 10.5,481 0.389,482 17.25,483 0.639,484 29.315,485 1.086,486 31.633,487 0.555,488 20.163,489 0.747,490 5.335,491 0.198,492 7.657,493 0.284,494 0.179,495 0.031,496 0.268,501 0.817,502 1.469,503 0.831,504 1.207,505 0.602,506 1.134,507 1.379,508 0.773,509 0.911,510 0.693,511 0.779,512 0.754,513 0.761,514 1.109,515 1.009,516 1.109,517 0.827,518 1.097,519 0.782,520 1.114,521 0.924,522 1.091,523 1.103,524 1.084,525 1.11,526 0.793,527 0.979,528 0.858,529 1.169,530 0.825,531 0.895,532 1.21,533 1.328,534 1.328,535 1.313,536 1.178,537 0.722,538 0.972,539 1.087,540 1.046,541 1.189,542 0.986,543 0.772,544 1.231,545 1.211,546 1.299,547 1.014,548 1.161,549 6.5,550 0.166,551 3.556,552 2.292,553 1.699,554 1.018,555 0.704,556 0.404,557 0.311,558 0.145,559 8341,560 19664,561 2.005,562 52.6,563 2,564 23,568 1,569 4,572 1.7,573 1.851,574 3.494,575 -0.769,576 1,577 1,582 85.029,583 1.492,584 3.093,585 4.446,586 5.008,587 5.113,588 5.148,589 2.967,590 4.31,591 4.723,592 3.621,593 1270.94,594 8.195,595 16225.9,597 1,599 1,600 332.475,601 1.623,602 4.663,603 0.224,604 0.009,605 0.087,606 0.05,607 0.042,608 0.028,609 0.023,610 0.015,611 0.012,612 0.007,613 0.497,614 0.33,615 1,616 1.331,617 134.091,618 0.009,619 -0.228,620 0.092,621 -0.082,622 0.023,623 -0.032,624 -0.202,625 0.353,626 0.096,627 0.319,628 -0.026,629 0.238,630 0.067,631 0.01,632 -0.016,633 -0.035,634 0.053,635 -0.054,636 0.006,637 -0.125,638 0.016,639 -0.102,640 -0.012,641 -0.08,642 -0.049,643 0.142,644 0.077,645 0.128,646 -0.028,647 0.136,648 -0.059,649 -0.173,650 -0.146,651 -0.17,652 -0.089,653 -0.139,654 0.129,656 -0.015,657 -0.002,658 0.075,659 0.012,660 0.086,661 -0.203,662 -0.114,663 -0.197,664 0.093,665 -0.133,666 1.38,667 6.172,668 0.593,669 26.123,670 0.996,671 1.128,672 -1.438,673 2.068,674 0.641,675 3.401,676 3.738,677 4.007,678 4.234,679 4.454,680 4.625,681 4.727,682 4.82,683 4.812,684 4.836,685 6.57,686 0.591,687 392.59,688 3.401,689 4.949,690 5.802,691 6.691,692 7.566,693 8.46,694 9.343,695 10.24,696 11.128,697 12.026,698 1.8,712 1,714 2,715 3,719 1,720 3,722 10,727 1,739 2,741 57,743 11,744 1,745 29,747 59,748 21,749 8,750 4,751 2,752 1,756 3,757 4,767 3,768 1,770 3,772 9,773 12,774 1,777 1,782 1,786 1,790 1,793 30,794 4,796 6,797 1,802 1,803 1,807 1,808 0.667,809 4,828 1,829 1,830 1,832 1,858 1,859 2,862 1,864 4,868 27,876 7,878 3,880 1,883 1,888 1,893 7,896 1,897 1,898 2,901 14.583,902 11.417,903 6.153,904 3.521,907 2.045,908 1.278,909 0.919,910 6.769,911 9.399,912 3.584,913 4.147,914 4.722,915 5.286,916 5.826,917 6.256,918 6.631,919 6.997,920 6.971,921 6.971,922 0.875,923 46,924 10.054,926 4.168,927 0.026,929 7.599,931 19.715,933 16.251,936 2.099,937 56.667,941 353.133,942 139.563,945 58.145,947 31.278,948 108.285,949 411.278,951 41.046,952 18.513,953 28.429,954 41.278,955 35.06,956 2.104,957 384.411,959 353.133,960 108.285,961 58.145,962 31.278,964 306.049,965 94.229,966 11,968 18.513,969 89.772,971 31.278,972 353.133,973 58.145,974 139.563,977 353.133,978 70.088,979 69.474,981 58.145,982 353.133,983 58.145,984 139.563,986 0.576,987 0.348,988 0.181,989 0.1,990 19,991 9,992 0.119,993 7,994 1,995 1.125,996 3.762,997 227.802,998 0.125,999 16,1000 128.382,1001 1,1005 20.562,1006 8.889,1007 4.637,1008 2.098,1009 58.145,1010 5.919,1014 1.558,1015 2.243,1018 550.84,1019 35,1024 13.172,1028 0.286,1031 56.8,1032 64.276,1034 0.256,1035 0.53,1036 0.762,1037 0.859,1038 0.877,1039 0.883,1040 4.848,1041 1.296,1042 5.826,1043 2.95,1044 4.419,1045 4.832,1046 2.363,1047 6.691,1048 4.295,1049 6.056,1050 1.136,1051 7.43,1052 2.841,1053 4.205,1054 4.82,1055 0.931,1056 7.915,1057 4.02,1058 7.391,1059 0.869,1060 9.141,1061 2.751,1062 6.12,1063 7.049,1064 2.465,1065 10.904,1066 5.89,1067 8.763,1068 0.396,1069 10.915,1070 2.187,1071 6.723,1072 7.859,1073 1.241,1074 12.893,1075 6.416,1076 10.167,1077 0.348,1078 12.727,1079 0.748,1080 8.137,1081 9.616,1082 2.716,1083 15.466,1084 7.791,1085 11.592,1086 0.241,1087 14.565,1088 0.481,1089 9.069,1090 10.784,1091 1.521,1092 17.726,1093 8.641,1094 13.031,1095 0.038,1096 16.419,1097 0.458,1098 10.312,1099 12.375,1100 3.058,1101 20.188,1102 9.838,1103 3.275,1104 -0.347,1105 18.286,1106 0.07,1107 11.377,1108 13.713,1109 1.818,1110 22.551,1111 10.823,1112 3.139,1113 11.77,1114 20.162,1115 -0.887,1116 12.562,1117 15.242,1118 3.455,1119 24.987,1120 11.952,1121 2.855,1122 10.266,1123 22.044,1124 4.504,1125 13.681,1126 16.664,1127 2.132,1128 27.393,1129 12.995,1130 2.489,1131 9.367,1132 23.933,1133 3.604,1134 14.848,1135 18.171,1136 3.885,1137 29.828,1138 14.099,1139 1.888,1140 8.092,1141 25.827,1142 3.277,1143 15.991,1144 19.633,1145 2.46,1146 32.256,1147 15.168,1148 1.771,1149 5.826,1150 27.724,1151 3.139,1152 17.153,1153 21.135,1154 4.334,1155 34.695,1156 16.263,1157 1.477,1158 5.118,1159 29.626,1160 2.471,1161 18.308,1162 22.617,1163 2.798,1164 37.135,1165 17.344,1166 8313,1167 12939,1168 18.781,1169 36.512,1170 42.802,1171 44.398,1172 45.306,1173 42.387,1174 42.436,1175 51.353,1176 10.115,1177 125.845,1178 39.605,1179 5.523,1180 5.735,1181 6.811,1182 5.314,1183 5.275,1184 7.504,1185 2.555,1186 18.772,1187 5.045,1188 15.198,1189 1.476,1190 1.531,1191 1.562,1192 1.462,1193 1.463,1194 1.771,1195 0.349,1196 4.339,1197 1.366,1198 4.102,1199 4.109,1200 4.341,1201 4.113,1202 7.426,1203 4.064,1204 3.944,1205 4.003,1206 3.837,1207 3.782,1208 4.968,1209 3.784,1210 3.646,1211 3.683,1212 3.626,1213 3.482,1214 4.642,1215 3.489,1216 3.475,1217 3.504,1218 3.437,1219 3.321,1220 4.528,1221 3.307,1222 3.348,1223 3.409,1224 3.205,1225 3.136,1226 4.496,1227 3.118,1228 3.288,1229 3.367,1230 3.083,1231 3.072,1232 4.33,1233 3.077,1234 3.249,1235 3.314,1236 3.074,1237 2.967,1238 3.903,1239 2.97,1240 3.078,1241 3.151,1242 2.912,1243 2.856,1244 3.749,1245 2.845,1246 0.158,1247 0.129,1248 0.24,1249 0.145,1250 0.113,1251 4.573,1252 0.155,1253 3.735,1254 0.044,1255 6.969,1256 0.406,1257 4.192,1258 0.105,1259 3.275,1260 4.504,1261 1.277,1262 11.77,1263 3.045,1264 1.909,1265 1.903,1266 2.029,1267 2.057,1268 1.401,1269 2.055,1270 1.816,1271 1.761,1272 1.984,1273 1.988,1274 1.356,1275 1.985,1276 1.78,1277 1.729,1278 1.949,1279 1.913,1280 1.14,1281 1.935,1282 1.437,1283 1.417,1284 1.696,1285 1.673,1286 0.939,1287 1.68,1288 1.371,1289 1.313,1290 1.586,1291 1.556,1292 0.72,1293 1.571,1294 1.222,1295 1.176,1296 1.572,1297 1.518,1298 0.628,1299 1.535,1300 1.185,1301 1.107,1302 1.532,1303 1.459,1304 0.581,1305 1.498,1306 1.124,1307 1.027,1308 1.452,1309 1.371,1310 0.573,1311 1.425,1312 4.078,1314 5.407,1315 2.398,1316 6.927,1317 4.844,1318 8.531,1319 7.018,1320 10.181,1322 7.297,1328 6.943,1330 16.035,1332 0.115,1335 0.998,1340 33.706,1341 85.029,1342 176.318,1343 253.416,1344 285.455,1345 291.455,1346 293.455,1347 55.616,1348 7.354,1349 44.76,1350 73,1351 18,1352 12.551,1353 3.585,1354 2.807,1355 47.097,1356 106,1357 121,1358 0.221,1359 210.766,1360 365.77,1361 506.03,1362 14608,1364 19.441,1365 0.72,1366 0.652,1367 19.795,1368 17.617,1369 12.992,1370 0.448,1371 0.362,1372 9.557,1373 11.865,1374 9.14,1375 7.632,1376 13.4,1377 10.498,1378 11.524,1379 0.281,1380 0.219,1381 12.166,1382 8.985,1383 9.899,1384 0.183,1385 0.131,1386 10.721,1387 7.088,1388 7.787,1389 0.115,1390 0.077,1391 8.687,1392 5.209,1393 6.274,1394 0.074,1395 0.046,1396 7.129,1397 3.884,1398 0.347,1399 86.828,1400 0.231,1401 25.9,1402 0.603,1403 140,1404 392.135,1405 178.14,1406 382.126,1407 512.71,1408 360,1409 165,1410 342.169,1411 203.067,1412 366.128,1413 533.06,1414 338,1415 7.278}
{0 CHEMBL364545,1 1.412,2 21.279,3 7.525,4 56.63,5 170.609,6 7.145,7 0.489,8 4.47,9 4.579,10 4.002,11 4.027,12 5.541,13 3.997,14 5.012,15 5.179,16 4.331,17 4.405,18 6.065,19 4.352,20 5.263,21 5.464,22 4.375,23 4.535,24 6.261,25 4.45,26 5.327,27 5.557,28 4.3,29 4.514,30 6.28,31 4.408,32 5.277,33 5.503,34 4.253,35 4.48,36 6.221,37 4.372,38 5.295,39 5.535,40 4.24,41 4.467,42 6.23,43 4.352,44 5.266,45 5.499,46 4.163,47 4.431,48 6.199,49 4.314,50 5.191,51 5.426,52 4.069,53 4.375,54 6.1,55 4.244,56 0.027,57 1.065,58 17.073,59 7.954,60 9.933,61 10.181,62 0.409,63 1.749,64 32.174,65 13.007,66 40.92,67 17.154,68 0.446,69 2.118,70 43.278,71 17.304,72 59.429,73 22.876,74 0.56,75 2.228,76 47.666,77 18.065,78 72.636,79 24.391,80 0.453,81 2.143,82 44.849,83 17.221,84 61.655,85 23.251,86 0.479,87 2.157,88 46.184,89 17.715,90 68.672,91 24.217,92 0.61,93 2.077,94 45.349,95 16.875,96 72.274,97 22.57,98 0.442,99 1.95,100 41.46,101 16.051,102 60.487,103 21.795,104 20,105 63,106 0.213,107 0.516,108 0.714,109 0.852,110 0.9,111 0.908,112 3.787,113 0.948,114 -5.43,115 -5.31,116 -4.96,121 44.4,123 5,126 2,127 3,137 1,140 1,144 14,145 5,146 3,159 1,161 1,176 22,179 1,180 11,183 2,187 26,191 1,192 11,200 21,205 1,206 13,211 2,214 16,218 1,219 10,224 2,227 14,231 1,232 11,237 1,239 16,243 1,244 7,247 1,251 20,255 1,256 6,264 20,269 7,274 1,277 13,281 4492,282 29.507,283 29.507,284 29.507,285 29.507,286 29.507,287 26.382,288 27.381,289 17.919,290 30.028,291 23.214,292 23.214,293 23.214,294 23.214,295 23.214,296 18.341,297 33.89,298 8.554,299 23.987,300 4.928,301 2.918,302 1.599,303 0.689,304 0.364,305 0.315,306 4.493,313 1993,314 4.796,317 117.923,318 586.85,321 212.331,322 228.28,325 3.203,326 35.346,329 0.5,330 0.67,331 0.67,332 0.7,333 0.5,334 0.67,335 0.5,336 0.6,337 92,338 915,339 4.566,340 3.729,341 6.702,342 4.181,343 3.199,344 4.452,345 2.186,346 10.829,347 3.143,348 4.456,349 3.66,350 6.502,351 4.011,352 3.013,353 4.115,354 0.916,355 10.185,356 3.005,357 4.105,358 3.031,359 5.681,360 3.723,361 2.761,362 3.688,363 0.86,364 7.996,365 2.661,366 3.885,367 2.984,368 5.635,369 3.452,370 2.495,371 3.34,372 0.86,373 7.525,374 2.386,375 3.672,376 2.941,377 5.29,378 3.38,379 2.451,380 2.942,381 0.366,382 6.815,383 2.261,384 3.562,385 2.632,386 5.28,387 3.139,388 2.168,389 2.886,390 0.172,391 6.577,392 2.115,393 3.378,394 2.606,395 5.091,396 3.123,397 2.157,398 2.515,400 5.742,401 2.055,402 3.257,403 2.282,404 4.862,405 2.87,406 1.887,407 2.499,409 5.594,410 1.847,411 3.118,412 2.171,413 4.758,414 2.801,415 1.823,416 2.427,418 4.944,419 1.768,420 3.09,421 1.96,422 4.585,423 2.712,424 1.738,425 2.176,427 4.814,428 1.684,429 3.04,430 1.84,431 4.154,432 2.623,433 1.676,434 2.174,436 3.772,437 1.618,438 2.825,439 1.618,440 3.857,441 2.618,442 1.618,443 1.9,445 3.679,446 1.569,447 2.767,448 1.546,449 3.624,450 2.358,451 1.386,452 1.833,454 2.898,455 1.342,456 2.658,457 1.408,458 3.568,459 2.27,460 1.27,461 1.725,463 2.832,464 1.27,465 2.536,466 1.278,467 3.518,468 2.179,469 1.187,470 1.474,472 2.606,473 1.175,474 20.467,475 0.476,476 0.848,477 0.02,478 54.75,479 1.273,480 28,481 0.651,482 26.75,483 0.622,484 39.505,485 0.919,486 46.133,487 0.57,488 45.093,489 1.049,490 10.839,491 0.252,492 10.156,493 0.236,494 0.081,496 0.288,501 0.762,502 1.231,503 0.815,504 1.112,505 0.587,506 0.99,507 0.859,508 0.969,509 0.919,510 0.982,511 0.55,512 0.952,513 1.008,514 1.023,515 0.95,516 1.021,517 0.754,518 0.987,519 1.036,520 0.965,521 0.963,522 0.954,523 0.971,524 0.949,525 1.02,526 1.017,527 1.009,528 1.022,529 0.982,530 1.015,531 0.879,532 0.989,533 0.916,534 0.991,535 0.784,536 0.964,537 1.214,538 0.867,539 1.066,540 0.915,541 1.121,542 0.962,543 0.979,544 1.014,545 1.059,546 1.04,547 1.044,548 1.061,549 7.5,550 0.173,551 3.556,552 3.014,553 1.591,554 1.195,555 0.79,556 0.588,557 0.334,558 0.207,559 43114,560 107770,561 2.1,562 46.9,563 6,564 27,567 1,569 4,572 1.806,573 2,574 4.309,575 -0.462,582 114.38,583 1.412,584 3.422,585 4.741,586 5.651,587 5.976,588 6.025,589 3.737,590 5.287,591 5.4,592 4.55,593 4109.04,594 9.489,595 88226.8,600 513.528,601 1.254,602 5.373,603 0.16,604 0.005,605 0.056,606 0.047,607 0.027,608 0.022,609 0.015,610 0.012,611 0.007,612 0.005,613 0.356,614 0.17,615 0.63,616 0.823,617 260.217,618 -0.006,619 -0.1,620 0.058,621 -0.048,622 -0.019,623 0.005,624 0.105,625 0.123,626 0.024,627 0.025,628 0.126,629 0.02,630 0.011,631 -0.029,632 0.023,633 -0.013,634 0.079,635 0.004,636 -0.007,637 0.013,638 0.033,639 0.032,640 0.014,641 0.038,642 -0.038,643 -0.026,644 -0.024,645 -0.034,646 -0.04,647 -0.028,648 0.049,649 -0.02,650 0.073,651 -0.003,652 0.079,653 0.033,654 -0.095,655 0.108,656 -0.056,657 0.062,658 -0.071,659 0.016,660 -0.048,661 -0.04,662 -0.076,663 -0.049,664 -0.067,665 -0.065,666 2.131,667 5.971,668 0.581,669 71.567,670 0.997,671 1.117,672 4.198,673 17.624,674 0.667,675 3.871,676 4.159,677 4.407,678 4.663,679 4.868,680 4.934,681 5.069,682 5.204,683 5.247,684 5.283,685 12.341,686 0.631,687 578.76,688 3.871,689 5.398,690 6.232,691 7.094,692 7.947,693 8.819,694 9.682,695 10.561,696 11.431,697 12.315,698 2.5,701 1,705 1,714 2,715 14,720 6,722 23,727 1,737 1,739 2,741 81,743 26,744 4,745 47,747 85,748 36,749 22,750 8,751 14,752 3,756 5,757 7,770 5,772 26,773 10,777 3,782 2,784 1,786 3,793 38,794 7,795 1,796 7,802 2,808 0.6,809 5,828 1,829 4,832 1,833 1,849 2,855 1,859 3,864 2,868 43,876 8,877 1,878 3,881 1,893 6.2,896 2,898 3,901 21.5,902 15.033,903 9.639,904 5.081,907 5.055,908 1.57,909 0.98,910 10.618,911 13.918,912 4.135,913 4.696,914 5.263,915 5.843,916 6.401,917 6.673,918 7.074,919 7.485,920 7.846,921 8.101,922 0.929,923 64,924 15.938,926 6.669,927 0.026,929 7.671,931 30.772,933 24.985,936 2.171,937 93.333,941 435.531,942 227.985,943 21.135,945 83.29,948 227.985,949 518.82,950 21.135,951 16.793,952 39.487,953 142.144,954 60.667,955 66.557,956 6.763,957 435.531,959 435.531,960 249.12,961 83.29,964 388.446,965 130.374,968 42.612,969 191.789,970 14.72,972 435.531,973 104.425,974 227.985,977 435.531,978 69.049,979 162.061,980 18.011,981 83.29,982 435.531,983 104.425,984 227.985,986 0.568,987 0.325,988 0.176,989 0.095,990 27,991 12,992 0.165,993 14,994 2,995 1.16,996 5.567,997 401.9,998 0.16,999 25,1000 229.329,1005 30.495,1006 14.972,1007 8.324,1008 2.203,1009 104.425,1010 27.227,1015 4.435,1017 18.011,1018 767.941,1019 61.5,1024 24.402,1026 1.824,1028 -0.241,1031 80.745,1032 90.517,1034 0.223,1035 0.54,1036 0.748,1037 0.891,1038 0.943,1039 0.95,1040 5.355,1041 1.887,1042 6.188,1043 5.742,1044 4.844,1045 5.384,1046 2.639,1047 6.956,1048 4.784,1049 6.538,1050 1.823,1051 7.714,1052 5.594,1053 4.29,1054 5.103,1055 1.847,1056 7.756,1057 4.204,1058 7.827,1059 1.738,1060 9.34,1061 4.944,1062 6.389,1063 7.552,1064 3.582,1065 10.873,1066 6.278,1067 9.153,1068 1.676,1069 11.029,1070 4.814,1071 6.686,1072 8.131,1073 3.603,1074 12.56,1075 6.559,1076 10.514,1077 1.618,1078 12.76,1079 3.772,1080 8.215,1081 10.04,1082 4.922,1083 15.181,1084 8.071,1085 11.902,1086 1.386,1087 14.522,1088 3.679,1089 8.938,1090 11.051,1091 5.291,1092 17.254,1093 8.785,1094 13.311,1095 1.27,1096 16.307,1097 2.898,1098 10.227,1099 12.722,1100 6.39,1101 19.705,1102 10.06,1103 3.199,1104 1.187,1105 18.111,1106 2.832,1107 11.163,1108 13.957,1109 6.93,1110 21.944,1111 10.99,1112 3.013,1113 10.829,1114 19.93,1115 2.606,1116 12.352,1117 15.517,1118 7.902,1119 24.336,1120 12.168,1121 2.761,1122 10.185,1123 21.76,1124 4.452,1125 13.392,1126 16.868,1127 8.539,1128 26.645,1129 13.201,1130 2.495,1131 7.996,1132 23.601,1133 4.115,1134 14.543,1135 18.377,1136 9.436,1137 29.018,1138 14.342,1139 2.451,1140 7.525,1141 25.451,1142 3.688,1143 15.634,1144 19.787,1145 10.13,1146 31.358,1147 15.424,1148 2.168,1149 6.815,1150 27.307,1151 3.34,1152 16.772,1153 21.274,1154 10.981,1155 33.724,1156 16.552,1157 2.157,1158 6.577,1159 29.17,1160 2.942,1161 17.888,1162 22.716,1163 11.71,1164 36.078,1165 17.657,1166 40346,1167 64007,1168 31.898,1169 53.989,1170 68.645,1171 71.228,1172 70.434,1173 68.283,1174 68.294,1175 88.575,1176 10.723,1177 188.301,1178 66.234,1179 5.53,1180 5.729,1181 6.592,1182 5.265,1183 5.199,1184 7.452,1185 3.889,1186 17.97,1187 5.143,1188 19.502,1189 1.461,1190 1.515,1191 1.499,1192 1.453,1193 1.453,1194 1.885,1195 0.228,1196 4.006,1197 1.409,1198 4.113,1199 4.129,1200 4.072,1201 4.069,1202 7.435,1203 4.067,1204 3.973,1205 3.989,1206 3.935,1207 3.89,1208 7.427,1209 3.899,1210 3.939,1211 3.962,1212 3.878,1213 3.855,1214 4.956,1215 3.856,1216 3.77,1217 3.828,1218 3.622,1219 3.642,1220 4.861,1221 3.627,1222 3.614,1223 3.675,1224 3.509,1225 3.463,1226 4.813,1227 3.463,1228 3.539,1229 3.587,1230 3.457,1231 3.406,1232 4.564,1233 3.401,1234 3.511,1235 3.561,1236 3.394,1237 3.285,1238 4.335,1239 3.29,1240 3.41,1241 3.458,1242 3.31,1243 3.215,1244 4.327,1245 3.255,1246 0.097,1247 0.079,1248 0.143,1249 0.089,1250 0.068,1251 4.566,1252 0.095,1253 3.729,1254 0.047,1255 6.702,1256 0.23,1257 4.181,1258 0.067,1259 3.199,1260 4.452,1261 2.186,1262 10.829,1263 3.143,1264 2.082,1265 2.065,1266 2.161,1267 2.13,1268 1.392,1269 2.142,1270 1.912,1271 1.885,1272 2.052,1273 2.028,1274 1.302,1275 2.035,1276 1.869,1277 1.856,1278 2.008,1279 1.977,1280 1.209,1281 1.983,1282 1.773,1283 1.714,1284 1.944,1285 1.92,1286 1.111,1287 1.935,1288 1.579,1289 1.541,1290 1.831,1291 1.794,1292 1.055,1293 1.806,1294 1.555,1295 1.503,1296 1.7,1297 1.726,1298 0.855,1299 1.716,1300 1.406,1301 1.36,1302 1.692,1303 1.68,1304 0.757,1305 1.68,1306 1.385,1307 1.335,1308 1.658,1309 1.588,1310 0.683,1311 1.616,1312 4.554,1314 5.849,1315 2.398,1316 7.332,1317 4.844,1318 8.907,1319 7.018,1320 10.535,1322 3.651,1328 7.923,1329 2.46,1330 17.166,1333 2.283,1340 51.099,1341 114.38,1342 277.149,1343 383.986,1344 457.753,1345 484.018,1346 488.018,1347 83.984,1348 8.862,1349 81.01,1350 81.01,1351 29,1352 12.852,1353 4.755,1354 3.954,1355 72.422,1356 328,1357 306,1358 0.103,1359 311.714,1360 554.95,1361 752.342,1362 133321,1364 30.02,1365 0.698,1366 0.577,1367 30.02,1368 24.806,1369 20.996,1370 0.447,1371 0.316,1372 14.681,1373 20.293,1374 14.306,1375 11.941,1376 20.996,1377 14.859,1378 18.28,1379 0.29,1380 0.172,1381 18.28,1382 10.807,1383 15.122,1384 0.187,1385 0.092,1386 15.122,1387 7.47,1388 12.513,1389 0.119,1390 0.05,1391 12.513,1392 5.235,1393 9.981,1394 0.077,1395 0.027,1396 9.981,1397 3.517,1398 0.175,1399 130.924,1400 0.177,1401 39.927,1402 0.251,1403 220,1404 630.656,1405 239.743,1406 602.404,1407 825.53,1408 566,1409 254,1410 607.442,1411 273.222,1412 613.679,1413 896.71,1414 577,1415 5.559}
{0 CHEMBL364585,1 1.49,2 12.484,3 3.27,4 10.693,5 122.482,6 6.902,7 0.303,8 4.24,9 4.353,10 3.773,11 3.747,12 5.24,13 3.691,14 4.849,15 5.041,16 4.195,17 4.175,18 5.792,19 4.102,20 5.145,21 5.323,22 4.301,23 4.423,24 6.103,25 4.309,26 5.366,27 5.625,28 4.292,29 4.468,30 6.265,31 4.315,32 5.286,33 5.514,34 4.17,35 4.335,36 6.298,37 4.196,38 5.113,39 5.349,40 4.102,41 4.289,42 6.026,43 4.144,44 5.082,45 5.288,46 3.955,47 4.306,48 6.046,49 4.124,50 5.19,51 5.485,52 3.871,53 4.235,54 6.035,55 4.027,56 0.009,57 0.877,58 15.897,59 6.935,60 10.242,61 8.88,62 0.39,63 1.456,64 31.994,65 11.426,66 37.479,67 14.887,68 0.647,69 1.897,70 44.251,71 15.93,72 53.402,73 20.495,74 0.435,75 2.173,76 55.407,77 19.277,78 67.688,79 25.925,80 0.892,81 1.915,82 54.749,83 16.763,84 113.152,85 21.334,86 0.516,87 1.78,88 47.193,89 15.148,90 61.875,91 19.679,92 0.522,93 1.756,94 42.251,95 15.74,96 72.962,97 20.485,98 0.53,99 1.784,100 47.52,101 16.551,102 84.336,103 22.785,104 77,105 49,106 0.24,107 0.511,108 0.742,109 0.788,110 0.803,111 0.807,112 3.472,113 1.07,114 -0.39,115 -0.53,116 -0.68,121 36.9,122 3,123 3,124 1,126 3,127 3,132 1,144 3,145 1,146 2,154 2,159 1,160 1,176 5,179 1,180 6,187 10,189 2,191 1,192 7,194 2,200 6,203 2,206 8,214 5,219 8,221 1,227 6,229 3,232 4,239 5,241 2,243 2,244 2,251 8,253 1,255 2,256 4,264 6,266 2,269 6,281 1623,282 19.928,283 19.928,284 19.928,285 19.928,286 19.928,287 18.596,288 24.862,289 11.223,290 20.661,291 16.142,292 16.142,293 16.142,294 16.142,295 16.142,296 13.81,297 31.111,298 5.138,299 17.165,300 4.533,301 2.852,302 1.413,303 1.132,304 1.039,305 1.008,306 4.144,311 1,312 1,313 802,314 4.69,317 73.484,318 94.435,319 121.091,321 140.37,325 2.112,326 35.102,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 67.5,338 387,339 4.573,340 3.889,341 6.994,342 4.223,343 3.304,344 4.504,345 2.475,346 11.898,347 3.059,348 4.324,349 3.726,350 6.511,351 4.094,352 3.142,353 3.604,354 1.277,355 10.267,356 2.979,357 4.15,358 3.528,359 6.441,360 4.046,361 3.109,362 3.363,363 1.215,364 10.137,365 2.903,366 4.112,367 3.244,368 6.268,369 3.838,370 2.856,371 3.166,372 0.86,373 9.367,374 2.794,375 3.807,376 3.143,377 5.876,378 3.431,379 2.49,380 3.116,381 0.86,382 8.092,383 2.321,384 3.375,385 2.729,386 5.111,387 3.041,388 2.041,389 2.476,390 0.317,391 5.85,392 2.011,393 3.178,394 2.215,395 4.869,396 2.836,397 1.869,398 2.471,400 5.507,401 1.794,402 3.098,403 2.107,404 4.717,405 2.698,406 1.771,407 2.205,409 5.118,410 1.627,411 2.42,412 1.647,413 3.943,414 2.288,415 1.299,416 1.376,418 2.891,419 1.282,420 2.399,421 1.427,422 3.847,423 1.991,424 1.136,425 1.347,427 2.841,428 0.959,429 2.24,430 1.339,431 3.749,432 1.867,433 0.868,434 1.126,436 2.227,437 0.842,438 1.554,439 1.002,440 3.428,441 1.26,442 0.368,443 0.398,445 0.662,446 0.312,447 1.485,448 0.905,449 2.887,450 1.2,451 0.25,452 0.311,454 0.472,455 0.243,456 1.366,457 0.622,458 2.837,459 1.12,460 0.241,461 0.269,463 0.458,464 0.208,465 0.892,466 0.518,467 2.787,468 0.681,469 -0.237,470 -0.24,472 -0.718,473 -0.213,474 14.9,475 0.481,476 1.14,477 0.037,478 31.5,479 1.016,480 12,481 0.387,482 19.5,483 0.629,484 37.476,485 1.209,486 36.4,487 0.56,488 24.624,489 0.794,490 5.759,491 0.186,492 8.773,493 0.283,494 0.246,495 0.06,496 0.268,501 0.761,502 1.455,503 0.832,504 1.22,505 0.594,506 1.141,507 1.029,508 0.861,509 0.802,510 0.774,511 0.544,512 0.768,513 1.099,514 1.129,515 1.138,516 1.131,517 0.983,518 1.164,519 0.772,520 1.027,521 0.821,522 1.002,523 0.961,524 0.952,525 1.62,526 0.951,527 1.213,528 0.966,529 2.085,530 0.975,531 1.074,532 0.957,533 1.246,534 1.072,535 1.278,536 0.946,537 0.782,538 1.337,539 1.334,540 1.39,541 1.117,542 1.401,543 0.388,544 0.957,545 0.846,546 0.992,547 0.353,548 0.92,549 10,550 0.285,551 4,552 3.292,553 1.859,554 1.438,555 0.923,556 0.51,557 0.479,558 0.225,559 12329,560 30419,561 1.942,562 52.3,563 2,564 18,568 1,569 13,572 1.735,573 1.755,574 3.602,575 -0.767,577 1,582 96.831,583 1.49,584 3.171,585 4.61,586 4.891,587 4.983,588 5.014,589 3.087,590 4.171,591 4.923,592 3.805,593 1769.24,594 8.59,595 25479.2,600 391.454,601 1.789,602 4.832,603 0.303,604 0.011,605 0.082,606 0.065,607 0.038,608 0.035,609 0.022,610 0.015,611 0.015,612 0.008,613 0.593,614 0.33,615 1,616 1.47,617 162.225,618 0.004,619 -0.203,620 0.082,621 -0.074,622 -0.026,623 -0.028,624 -0.004,625 0.271,626 0.19,627 0.257,628 0.119,629 0.243,630 -0.031,631 -0.024,632 -0.128,633 -0.065,634 -0.079,635 -0.14,636 0.038,637 -0.058,638 0.126,639 -0.026,640 0.051,641 0.044,642 -0.209,643 0.014,644 -0.106,645 0.033,646 -0.261,647 -0.028,648 -0.118,649 0.106,650 -0.066,651 0.038,652 -0.091,653 0.06,654 0.02,655 -0.268,656 -0.304,657 -0.287,658 -0.059,659 -0.355,660 0.204,661 -0.029,662 0.114,663 -0.009,664 0.257,665 0.082,666 1.841,667 6.301,668 0.516,669 34.499,670 0.998,671 1.128,672 -0.836,673 0.698,674 0.638,675 3.526,676 3.912,677 4.094,678 4.357,679 4.511,680 4.727,681 4.804,682 4.905,683 4.927,684 4.977,685 7.461,686 0.592,687 448.66,688 3.526,689 5.106,690 5.943,691 6.851,692 7.706,693 8.615,694 9.478,695 10.388,696 11.257,697 12.166,698 1.5,712 1,714 2,715 3,719 1,720 3,722 10,727 1,739 2,741 65,743 12,744 1,745 33,747 67,748 24,749 8,750 4,751 2,752 1,756 3,757 4,763 3,767 3,768 1,770 3,772 10,773 14,774 2,777 2,782 2,786 2,793 34,794 5,796 7,797 1,802 1,803 1,807 1,808 0.667,809 5,828 1,829 1,830 1,832 1,846 1,859 2,862 1,864 6,868 31,876 6,878 3,880 1,882 1,883 1,888 1,893 7.7,896 2,898 3,901 17.667,902 13.583,903 6.694,904 4.021,907 2.066,908 1.271,909 0.903,910 7.446,911 9.678,912 3.714,913 4.294,914 4.782,915 5.359,916 5.847,917 6.281,918 6.647,919 7.013,920 6.994,921 7.002,922 1,923 51,924 11.587,926 4.888,927 0.026,929 7.728,931 22.36,933 18.484,936 2.228,937 69.083,941 400.217,942 157.754,945 83.29,947 31.278,948 126.476,949 483.507,951 56.638,952 13.921,953 28.429,954 62.615,955 46.059,956 2.104,957 431.495,959 400.217,960 126.476,961 83.29,962 31.278,964 247.193,965 236.314,968 40.396,969 86.08,971 31.278,972 400.217,973 83.29,974 157.754,977 400.217,978 72.687,979 85.067,981 83.29,982 400.217,983 83.29,984 157.754,986 0.596,987 0.327,988 0.173,989 0.085,990 23,991 12,992 0.119,993 8,994 1,995 1.125,996 4.021,997 274.584,998 0.125,999 16,1000 148.825,1001 1,1005 24.155,1006 9.557,1007 6.056,1008 2.005,1009 83.29,1010 5.81,1014 1.507,1015 2.107,1018 641.261,1019 40,1024 25.663,1028 0.025,1031 64.894,1032 73.316,1034 0.247,1035 0.526,1036 0.765,1037 0.812,1038 0.827,1039 0.833,1040 5.014,1041 1.771,1042 6.019,1043 5.507,1044 4.595,1045 4.98,1046 2.982,1047 6.901,1048 4.483,1049 6.257,1050 1.299,1051 7.637,1052 5.118,1053 4.575,1054 5.075,1055 2.394,1056 8.204,1057 4.405,1058 7.609,1059 1.136,1060 9.359,1061 2.891,1062 6.354,1063 7.179,1064 4.083,1065 11.136,1066 6.128,1067 8.988,1068 0.868,1069 11.139,1070 2.841,1071 7.048,1072 8.006,1073 4.36,1074 13.142,1075 6.749,1076 10.393,1077 0.368,1078 12.954,1079 2.227,1080 8.408,1081 9.709,1082 5.616,1083 15.7,1084 8.059,1085 11.813,1086 0.25,1087 14.792,1088 0.662,1089 9.38,1090 10.868,1091 6.257,1092 17.959,1093 8.952,1094 13.246,1095 0.241,1096 16.645,1097 0.472,1098 10.603,1099 12.433,1100 7.324,1101 20.415,1102 10.122,1103 3.304,1104 -0.237,1105 18.508,1106 0.458,1107 11.684,1108 13.761,1109 8.113,1110 22.775,1111 11.126,1112 3.142,1113 11.898,1114 20.381,1115 -0.718,1116 12.862,1117 15.277,1118 9.095,1119 25.207,1120 12.245,1121 3.109,1122 10.267,1123 22.26,1124 4.504,1125 13.989,1126 16.69,1127 9.946,1128 27.611,1129 13.297,1130 2.856,1131 10.137,1132 24.145,1133 3.604,1134 15.153,1135 18.191,1136 10.889,1137 30.044,1138 14.396,1139 2.49,1140 9.367,1141 26.035,1142 3.363,1143 16.3,1144 19.648,1145 11.769,1146 32.471,1147 15.47,1148 2.041,1149 8.092,1150 27.928,1151 3.166,1152 17.462,1153 21.146,1154 12.694,1155 34.911,1156 16.563,1157 1.869,1158 5.85,1159 29.826,1160 3.116,1161 18.619,1162 22.626,1163 13.587,1164 37.352,1165 17.647,1166 12314,1167 19532,1168 20.572,1169 41.489,1170 50.226,1171 52.339,1172 52.232,1173 49.394,1174 49.486,1175 59.462,1176 14.009,1177 151.572,1178 46.668,1179 5.545,1180 5.889,1181 6.536,1182 5.345,1183 5.304,1184 7.504,1185 4.217,1186 18.901,1187 5.059,1188 21.148,1189 1.522,1190 1.586,1191 1.583,1192 1.497,1193 1.5,1194 1.802,1195 0.425,1196 4.593,1197 1.414,1198 4.103,1199 4.11,1200 4.341,1201 4.113,1202 7.433,1203 4.065,1204 3.95,1205 4.004,1206 3.854,1207 3.785,1208 7.426,1209 3.789,1210 3.736,1211 3.776,1212 3.65,1213 3.57,1214 4.968,1215 3.573,1216 3.613,1217 3.653,1218 3.578,1219 3.458,1220 4.565,1221 3.461,1222 3.449,1223 3.481,1224 3.41,1225 3.299,1226 4.528,1227 3.289,1228 3.292,1229 3.367,1230 3.143,1231 3.135,1232 4.496,1233 3.112,1234 3.249,1235 3.314,1236 3.076,1237 2.967,1238 4.339,1239 2.981,1240 3.212,1241 3.247,1242 3.058,1243 2.957,1244 3.91,1245 2.97,1246 0.139,1247 0.118,1248 0.212,1249 0.128,1250 0.1,1251 4.573,1252 0.136,1253 3.889,1254 0.075,1255 6.994,1256 0.361,1257 4.223,1258 0.093,1259 3.304,1260 4.504,1261 2.475,1262 11.898,1263 3.059,1264 1.909,1265 1.903,1266 2.017,1267 2.057,1268 1.38,1269 2.049,1270 1.815,1271 1.762,1272 1.984,1273 1.988,1274 1.356,1275 1.985,1276 1.78,1277 1.736,1278 1.949,1279 1.913,1280 1.14,1281 1.935,1282 1.685,1283 1.628,1284 1.941,1285 1.885,1286 1.118,1287 1.903,1288 1.431,1289 1.414,1290 1.589,1291 1.562,1292 0.802,1293 1.577,1294 1.243,1295 1.196,1296 1.573,1297 1.519,1298 0.699,1299 1.536,1300 1.219,1301 1.174,1302 1.549,1303 1.498,1304 0.581,1305 1.516,1306 1.182,1307 1.105,1308 1.423,1309 1.432,1310 0.573,1311 1.458,1312 4.205,1314 5.572,1315 2.398,1316 7.101,1317 4.844,1318 8.703,1319 7.018,1320 10.346,1322 10.977,1328 4.565,1330 16.296,1332 -0.018,1334 -0.479,1335 0.625,1340 38.475,1341 96.831,1342 206.099,1343 299.64,1344 317.905,1345 323.905,1346 325.905,1347 84.731,1348 7.611,1349 61.83,1350 90.07,1351 18,1352 12.69,1353 3.7,1354 3,1355 58.434,1356 139,1357 123,1358 0.207,1359 240.612,1360 423.82,1361 578.854,1362 20712,1364 22.811,1365 0.736,1366 0.655,1367 23.165,1368 20.318,1369 14.532,1370 0.44,1371 0.357,1372 10.831,1373 13.372,1374 10.257,1375 8.609,1376 14.94,1377 11.767,1378 14.495,1379 0.296,1380 0.225,1381 15.137,1382 11.005,1383 10.567,1384 0.179,1385 0.122,1386 11.389,1387 7.169,1388 9.096,1389 0.118,1390 0.072,1391 9.997,1392 5.513,1393 6.38,1394 0.071,1395 0.043,1396 7.235,1397 3.828,1398 0.329,1399 96.202,1400 0.22,1401 29.235,1402 0.556,1403 164,1404 469.871,1405 207.122,1406 456.542,1407 609.95,1408 426,1409 190,1410 420.351,1411 231.279,1412 441.03,1413 639.3,1414 408,1415 7.101}
{0 CHEMBL364588,1 1.313,2 4.889,3 1.072,4 1.148,5 35.37,6 6.104,8 3.042,9 3.174,10 2.368,11 2.524,12 4.118,13 2.45,14 3.59,15 3.822,16 2.558,17 2.771,18 4.608,19 2.655,20 3.795,21 4.045,22 2.548,23 2.744,24 5.143,25 2.623,26 3.623,27 3.874,28 2.163,29 2.557,30 4.732,31 2.41,32 3.425,33 3.71,34 1.951,35 2.317,36 4.485,37 2.157,38 3.111,39 3.365,40 1.528,41 1.979,42 4.297,43 1.821,44 2.755,45 3.062,46 0.633,47 1.542,48 3.689,49 1.27,50 2.195,51 2.648,52 0.062,53 0.835,54 2.303,55 0.485,56 0.003,57 0.25,58 4.764,59 2.141,60 4.135,61 2.902,62 0.033,63 0.35,64 8.203,65 3.02,66 13.561,67 4.372,68 0.249,69 0.355,70 10.465,71 3.021,72 63.989,73 4.517,74 0.164,75 0.293,76 8.701,77 2.485,78 41.376,79 3.72,80 0.114,81 0.23,82 6.937,83 1.975,84 28.648,85 3.027,86 0.113,87 0.159,88 5.143,89 1.337,90 27.129,91 2.042,92 0.075,93 0.101,94 3.379,95 0.883,96 17.311,97 1.416,98 0.028,99 0.043,100 1.619,101 0.41,102 5.783,103 0.749,104 25,105 9,106 0.294,107 0.462,108 0.755,109 0.819,110 0.819,111 0.772,112 2.344,113 1.207,114 -2.04,115 -2.09,116 -2.08,121 33.3,122 2,123 3,158 2,176 3,180 2,187 2,191 1,192 3,200 2,206 2,214 1,219 2,227 1,232 1,239 1,281 60,282 5.613,283 5.613,284 5.613,285 5.613,286 5.613,287 5.314,288 5.332,289 3.613,290 5.538,291 3.873,292 3.873,293 3.873,294 3.873,295 3.873,296 3.34,297 3.846,298 1.641,299 3.737,300 3.08,301 2.334,302 1.024,303 0.739,304 0.739,305 0.948,306 2.862,312 1,313 74,314 3,325 0.815,326 13.704,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 20,338 44,339 3.989,340 3.846,341 5.736,342 3.702,343 2.644,344 3.288,345 1.277,346 7.413,347 2.787,348 2.792,349 2.896,350 3.775,351 2.593,352 1.572,353 1.739,354 1.277,355 3.175,356 1.602,357 2.357,358 1.564,359 3,360 2.07,361 1,362 1.229,364 1.858,365 1.062,366 1.291,367 0.694,368 2,369 1.133,370 0.089,371 0.1,373 0.133,374 0.093,375 0.494,376 0.357,377 1.353,378 0.1,379 -1,380 -1.112,382 -1.802,383 -1.041,384 0.224,385 -0.392,386 1,387 0.051,388 -1,389 -1.347,391 -2,392 -1.091,393 -0.325,394 -1.155,395 1,396 -0.417,397 -1.468,398 -1.897,399 -1.277,400 -3.455,401 -1.562,402 -0.822,403 -1.651,404 0.137,405 -0.833,406 -1.837,407 -2,408 -1.277,409 -5.321,410 -1.848,474 4.167,475 0.463,476 0.233,477 0.026,478 7.5,479 0.833,480 3,481 0.333,482 4.5,483 0.5,484 6.467,485 0.719,486 11.433,487 0.544,488 4.035,489 0.448,490 1.348,491 0.15,492 2.832,493 0.315,494 0.4,496 0.24,501 0.5,502 1.5,503 0.987,504 1.495,505 0.521,506 1.358,507 0.534,508 1.31,509 0.829,510 1.293,511 0.534,512 1.141,513 1.021,514 0.947,515 0.962,516 0.944,517 1.021,518 0.941,519 1.419,520 0.952,521 1.219,522 0.959,523 1.431,524 1.038,525 1.102,526 0.858,527 0.95,528 0.854,529 1.097,530 0.869,531 1.639,532 0.918,533 1.336,534 0.929,535 1.602,536 1.054,537 1.22,538 0.855,539 1.242,540 0.889,541 1.223,542 1.049,549 2,551 1.111,552 0.375,553 0.24,554 0.111,559 272,560 842,561 1.608,562 57.1,563 7,568 5,572 1.344,573 1.459,574 2.423,575 -0.742,582 27.568,583 1.313,584 2.058,585 3.368,586 3.654,587 3.654,588 3.445,589 1.891,590 2.948,591 3.137,592 2.444,593 87.978,594 4.971,595 507.09,600 92.239,601 1.53,602 3.031,603 0.25,605 0.123,606 0.047,607 0.048,608 0.028,613 0.496,614 0.83,615 1,616 1.837,617 27.882,619 -0.1,620 -0.049,621 -0.099,622 -0.013,623 -0.086,624 0.066,625 -0.21,626 0.078,627 -0.185,628 0.064,629 -0.067,630 0.116,631 -0.023,632 0.028,633 -0.026,634 0.119,635 -0.018,636 -0.225,637 -0.041,638 -0.227,639 -0.056,640 -0.232,641 -0.132,642 -0.099,644 -0.004,645 0.006,646 -0.097,647 0.019,648 -0.29,649 -0.07,650 -0.324,651 -0.093,652 -0.244,653 -0.202,654 -0.205,655 -0.098,656 -0.328,657 -0.126,658 -0.216,659 -0.238,660 0.26,661 0.496,662 0.725,663 0.55,664 0.217,665 0.711,666 1.983,667 3.552,669 4.148,670 0.998,671 1.139,672 0.807,673 0.651,674 0.594,675 2.197,676 2.303,677 2.197,678 1.792,679 1.609,680 1.099,685 3.197,686 0.552,687 128.19,688 2.197,689 3.555,690 4.234,691 4.963,692 5.68,693 6.412,694 7.14,695 7.873,696 8.604,697 9.338,741 21,743 2,745 8,747 20,748 7,752 2,763 2,770 3,772 2,773 5,777 2,782 2,786 2,793 12,794 2,796 2,809 2,841 2,864 2,868 9,876 3,893 9.5,896 2,901 6.167,902 4.333,903 2.278,904 1.521,907 0.314,908 1.082,909 0.824,910 3.945,911 4.143,912 2.398,913 2.639,914 2.708,915 2.079,916 1.946,917 1.386,922 1,923 8,924 3.326,925 -0.036,926 1.221,927 0.082,929 8.37,931 6.169,932 -0.015,933 4.276,934 0.045,935 0.003,936 2.87,937 25.833,938 0.023,941 141.253,942 35.521,945 50.29,948 35.521,949 191.543,951 17.65,952 7.604,954 60.557,957 141.253,959 141.253,960 35.521,961 50.29,964 141.253,965 50.29,968 25.254,969 10.267,972 141.253,973 50.29,974 35.521,977 141.253,978 17.871,979 17.65,981 50.29,982 141.253,983 50.29,984 35.521,986 0.537,987 0.279,988 0.088,989 0.046,990 2,991 2,992 0.2,993 4,996 1.948,997 33.345,1000 28.529,1005 8.351,1006 4.251,1007 3.895,1009 50.29,1018 227.064,1019 10,1024 20.852,1028 -0.555,1031 20.956,1032 23.91,1034 0.299,1035 0.469,1036 0.767,1037 0.832,1038 0.832,1039 0.784,1040 3.497,1041 -1.837,1042 4.174,1043 -3.455,1044 2.944,1045 3.296,1046 2.019,1047 4.762,1048 3.025,1049 4.615,1051 5.645,1052 -5.321,1053 2.565,1054 3.219,1056 5.485,1057 2.734,1058 5.855,1060 7.236,1062 4.317,1063 5.094,1064 2.456,1065 8.32,1066 4.493,1067 7.136,1069 8.89,1071 4.71,1072 5.832,1074 9.794,1075 4.993,1076 8.45,1078 10.579,1080 6.014,1081 7.253,1082 2.912,1083 12.163,1084 6.301,1085 9.786,1087 12.29,1089 6.735,1090 8.288,1092 13.917,1093 7.12,1094 11.138,1096 14.014,1098 7.855,1099 9.559,1100 3.38,1101 16.097,1102 8.259,1103 2.644,1105 15.747,1107 8.716,1108 10.696,1110 17.977,1111 9.201,1112 1.572,1113 7.413,1114 17.485,1116 9.756,1117 11.914,1118 3.857,1119 20.069,1120 10.273,1121 1,1122 3.175,1123 19.225,1124 3.288,1125 10.677,1126 13.086,1128 22.009,1129 11.264,1130 0.089,1131 1.858,1132 20.968,1133 1.739,1134 11.682,1135 14.286,1136 4.338,1137 24.057,1138 12.309,1139 -1,1140 0.133,1141 22.713,1142 1.229,1143 12.63,1144 15.47,1146 26.028,1147 13.32,1148 -1,1149 -1.802,1150 24.458,1151 0.1,1152 13.618,1153 16.663,1154 4.823,1155 28.055,1156 14.354,1157 -1.468,1158 -2,1159 26.204,1160 -1.112,1161 14.579,1162 17.851,1164 30.041,1165 15.373,1166 370,1167 702,1168 4.277,1169 12.477,1170 10.856,1171 11.992,1172 11.522,1173 10.597,1174 10.611,1175 12.711,1176 5.11,1177 25.156,1178 11.086,1179 4.81,1180 5.496,1181 5.6,1182 4.535,1183 4.481,1184 5.288,1185 2.555,1186 12.734,1187 4.635,1188 5.865,1189 1.357,1190 1.499,1191 1.44,1192 1.325,1193 1.326,1194 1.589,1195 0.639,1196 3.145,1197 1.386,1198 3.786,1199 3.822,1200 3.692,1201 3.633,1202 7.497,1203 3.636,1204 3.523,1205 3.575,1206 3.356,1207 3.342,1208 7.352,1209 3.34,1210 3.143,1211 3.233,1212 2.915,1213 2.931,1214 4.14,1215 2.909,1216 2.738,1217 2.822,1218 2.478,1219 2.444,1220 3.761,1221 2.436,1222 2.354,1223 2.456,1224 2.109,1225 1.991,1226 3.563,1227 1.979,1228 2.145,1229 2.187,1230 1.838,1231 1.652,1232 2.809,1233 1.71,1234 1.904,1235 2.043,1236 1.358,1237 1.457,1238 2.208,1239 1.433,1240 0.941,1241 1.207,1242 0.112,1243 0.38,1244 1.859,1245 0.262,1246 0.499,1247 0.481,1248 0.717,1249 0.463,1250 0.33,1251 3.989,1252 0.411,1253 3.846,1254 0.16,1255 5.736,1256 0.927,1257 3.702,1258 0.348,1259 2.644,1260 3.288,1261 1.277,1262 7.413,1263 2.787,1264 1.747,1265 1.703,1266 1.986,1267 1.924,1268 1.27,1269 1.942,1270 1.498,1271 1.448,1272 1.751,1273 1.72,1274 0.824,1275 1.731,1276 1.161,1277 1.07,1278 1.543,1279 1.417,1280 0.664,1281 1.463,1282 0.706,1283 0.618,1284 1.11,1285 1.04,1286 0.241,1287 1.061,1288 0.32,1289 0.208,1290 0.763,1291 0.716,1293 0.742,1294 0.028,1296 0.613,1297 0.476,1299 0.53,1303 0.338,1305 0.221,1312 2.833,1314 3.97,1316 5.283,1318 6.671,1320 8.095,1322 3.311,1328 2.225,1340 11.59,1341 27.568,1342 43.219,1343 70.729,1344 76.729,1345 76.729,1346 72.337,1347 24.568,1348 3.829,1349 34.14,1350 34.14,1352 9.992,1353 1.585,1354 1.585,1355 22.647,1356 16,1357 16,1358 0.758,1359 80.055,1360 141.96,1361 187.093,1362 102,1364 7.276,1365 0.808,1366 0.66,1367 7.276,1368 5.938,1369 4.181,1370 0.523,1371 0.402,1372 3.191,1373 4.038,1374 3.028,1375 2.617,1376 4.181,1377 3.219,1378 3.364,1379 0.374,1380 0.231,1381 3.364,1382 2.083,1383 2.151,1384 0.269,1385 0.144,1386 2.151,1387 1.15,1388 0.859,1389 0.172,1390 0.103,1391 0.859,1392 0.513,1393 0.558,1394 0.139,1395 0.071,1396 0.558,1397 0.285,1398 1.116,1399 26.239,1400 0.484,1401 9.27,1402 2.175,1403 34,1404 141.471,1405 38.207,1406 130.467,1407 156.18,1408 118,1409 34,1410 93.273,1411 37.765,1412 92.791,1413 127.62,1414 86,1415 4}
{0 CHEMBL364678,1 1.581,2 20.585,3 7.946,4 63.134,5 163.769,6 7.968,7 0.409,8 4.396,9 4.498,10 4.012,11 3.952,12 5.488,13 3.924,14 4.94,15 5.102,16 4.372,17 4.328,18 6.038,19 4.275,20 5.187,21 5.38,22 4.399,23 4.448,24 6.231,25 4.358,26 5.239,27 5.467,28 4.429,29 4.415,30 6.251,31 4.31,32 5.169,33 5.384,34 4.228,35 4.372,36 6.155,37 4.267,38 5.2,39 5.431,40 4.295,41 4.383,42 6.176,43 4.269,44 5.185,45 5.416,46 4.278,47 4.366,48 6.187,49 4.238,50 5.106,51 5.348,52 4.093,53 4.281,54 5.997,55 4.136,56 0.052,57 0.975,58 14.199,59 7.182,60 8.728,61 8.941,62 0.458,63 1.572,64 29.571,65 11.965,66 41.479,67 15.279,68 0.599,69 1.856,70 44.994,71 16.292,72 66.076,73 20.613,74 0.756,75 1.934,76 51.34,77 16.847,78 83.536,79 21.843,80 0.623,81 1.84,82 44.734,83 15.622,84 68.508,85 20.192,86 0.708,87 1.906,88 45.093,89 16.368,90 74.836,91 21.774,92 0.807,93 1.843,94 46.248,95 16.097,96 89.898,97 21,98 0.498,99 1.725,100 40.688,101 15.156,102 58.785,103 20.314,104 40,105 59,106 0.244,107 0.553,108 0.753,109 0.867,110 0.891,111 0.891,112 3.74,113 0.982,114 -5.47,115 -5.35,116 -5,121 42.7,123 5,126 2,127 3,137 1,140 1,144 10,145 3,146 5,159 1,161 1,176 13,179 1,180 11,183 2,187 19,191 1,192 11,200 9,205 1,206 13,211 2,214 13,218 1,219 7,224 2,227 11,231 1,232 8,237 1,239 13,243 1,244 6,247 1,251 14,255 1,256 5,264 16,269 4,274 1,277 11,281 3945,282 27.54,283 27.54,284 27.54,285 27.54,286 27.54,287 24.901,288 30.583,289 16.674,290 28.334,291 21.732,292 21.732,293 21.732,294 21.732,295 21.732,296 17.536,297 35.813,298 8.011,299 23.026,300 4.648,301 2.637,302 1.343,303 0.6,304 0.447,305 0.447,306 4.434,308 2,313 1799,314 4.796,317 117.799,318 469.716,321 211.56,325 3.128,326 41.792,329 0.5,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.7,337 88.667,338 844,339 4.529,340 3.728,341 6.694,342 4.169,343 3.189,344 4.136,345 2.186,346 10.796,347 3.125,348 4.178,349 3.66,350 5.751,351 3.723,352 2.77,353 3.837,354 0.916,355 8.107,356 2.661,357 4.105,358 3.132,359 5.681,360 3.714,361 2.761,362 3.688,363 0.86,364 7.996,365 2.608,366 3.862,367 2.984,368 5.546,369 3.432,370 2.485,371 3.295,372 0.86,373 7.36,374 2.341,375 3.672,376 2.941,377 5.29,378 3.38,379 2.451,380 2.886,381 0.366,382 6.815,383 2.261,384 3.484,385 2.632,386 5.213,387 3.124,388 2.168,389 2.781,390 0.172,391 6.352,392 2.056,393 3.378,394 2.623,395 4.87,396 3.044,397 2.11,398 2.515,400 5.594,401 1.923,402 3.232,403 2.613,404 4.862,405 2.851,406 1.879,407 2.481,409 5.342,410 1.827,411 3.157,412 2.355,413 4.688,414 2.761,415 1.865,416 2.34,418 4.963,419 1.707,420 3.09,421 2.172,422 4.618,423 2.707,424 1.794,425 2.175,427 4.858,428 1.657,429 3,430 1.967,431 4.585,432 2.7,433 1.727,434 2.138,436 4.814,437 1.522,438 2.823,439 1.837,440 3.857,441 2.587,442 1.649,443 1.832,445 3.679,446 1.441,447 2.658,448 1.544,449 3.585,450 2.356,451 1.383,452 1.724,454 2.893,455 1.34,456 2.488,457 1.392,458 3.517,459 2.179,460 1.187,461 1.438,463 2.605,464 1.175,465 2.387,466 1.278,467 3.473,468 1.909,469 0.923,470 1.266,472 2.19,473 0.898,474 19.895,475 0.485,476 0.958,477 0.023,478 49.75,479 1.213,480 24,481 0.585,482 25.75,483 0.628,484 40.046,485 0.977,486 44.905,487 0.599,488 40.402,489 0.985,490 9.762,491 0.238,492 10.038,493 0.245,494 0.156,496 0.297,501 0.726,502 1.298,503 0.63,504 1.047,505 0.571,506 0.961,507 0.819,508 0.994,509 0.711,510 0.898,511 0.519,512 0.902,513 1.039,514 1.062,515 0.952,516 1.036,517 0.814,518 1.013,519 0.958,520 0.947,521 0.683,522 0.831,523 0.897,524 0.859,525 1.05,526 1.002,527 0.935,528 0.99,529 1.007,530 1.008,531 0.683,532 1.017,533 0.67,534 0.962,535 0.728,536 0.963,537 0.883,538 0.902,539 0.802,540 0.9,541 0.807,542 0.963,543 0.76,544 1.037,545 0.749,546 0.958,547 0.728,548 1.015,549 9,550 0.181,551 2.889,552 3.389,553 1.569,554 1.216,555 0.734,556 0.644,557 0.31,558 0.235,559 36731,560 111273,561 2.035,562 45.3,563 6,564 23,567 1,569 4,572 1.795,573 1.907,574 4.273,575 -0.4,582 118.578,583 1.581,584 3.592,585 4.886,586 5.629,587 5.782,588 5.782,589 3.723,590 5.065,591 5.332,592 4.519,593 3705.96,594 9.352,595 77299.6,600 467.161,601 1.392,602 5.288,603 0.205,604 0.006,605 0.049,606 0.058,607 0.029,608 0.024,609 0.015,610 0.014,611 0.008,612 0.007,613 0.414,614 0.17,615 0.63,616 0.928,617 245.249,618 -0.023,619 -0.13,620 0.025,621 -0.062,622 -0.025,623 -0.009,624 0.073,625 0.116,626 0.053,627 0.057,628 0.142,629 0.044,630 -0.038,631 -0.069,632 -0.034,633 -0.048,634 0.031,635 -0.032,636 0.028,637 0.026,638 0.188,639 0.129,640 0.069,641 0.124,642 -0.09,643 -0.003,644 -0.071,645 -0.028,646 -0.068,647 -0.032,648 0.137,649 -0.033,650 0.119,651 -0.005,652 0.091,653 0.031,654 0.041,655 0.077,656 0.072,657 0.064,658 0.067,659 0.025,660 0.007,661 -0.063,662 0.056,663 0.004,664 0.006,665 -0.011,666 2.137,667 5.739,668 0.512,669 66.772,670 1.007,671 1.12,672 4.245,673 18.02,674 0.679,675 3.807,676 4.094,677 4.29,678 4.543,679 4.7,680 4.787,681 4.868,682 4.99,683 4.99,684 5.011,685 12.072,686 0.643,687 597.58,688 3.807,689 5.333,690 6.151,691 7.009,692 7.845,693 8.714,694 9.56,695 10.435,696 11.29,697 12.171,698 2.7,701 1,705 1,715 10,720 8,722 18,727 1,737 1,739 2,740 2,741 75,743 21,744 3,745 44,747 78,748 32,749 18,750 8,751 10,752 3,756 4,757 5,758 2,770 5,772 22,773 10,777 3,782 2,784 1,786 3,793 34,794 7,795 1,796 9,797 2,802 2,808 0.75,809 5,828 1,829 3,832 1,849 2,855 1,859 3,864 2,865 2,868 41,876 8,877 1,878 3,881 1,892 2,893 6.7,896 2,898 3,901 21.5,902 13.986,903 9.167,904 4.638,907 3.748,908 1.449,909 0.959,910 11.66,911 12.097,912 4.043,913 4.58,914 5.07,915 5.609,916 6.103,917 6.33,918 6.621,919 6.973,920 7.223,921 7.521,922 1,923 58,924 15.17,926 6.31,927 0.026,929 7.782,931 28.93,933 23.144,936 2.282,937 93.556,941 388.446,942 191.936,943 21.135,944 78.297,945 83.29,948 191.936,949 550.033,950 21.135,951 16.793,952 39.487,953 104.239,954 60.667,955 68.412,956 6.763,957 388.446,958 78.297,959 388.446,960 213.071,961 83.29,962 78.297,964 341.362,965 130.374,968 42.612,969 155.739,970 93.017,972 388.446,973 104.425,974 270.233,977 388.446,978 70.904,979 124.156,980 18.011,981 161.587,982 388.446,983 104.425,984 270.233,986 0.57,987 0.315,988 0.169,989 0.089,990 24,991 12,992 0.179,993 14,994 1,995 1.095,996 5.354,997 365.761,998 0.095,999 21,1000 213.66,1005 31.074,1006 15.384,1007 9.588,1009 104.425,1010 17.972,1015 4.989,1017 18.011,1018 763.104,1019 56,1024 24.148,1026 1.639,1028 -0.427,1031 75.509,1032 83.99,1034 0.254,1035 0.577,1036 0.784,1037 0.904,1038 0.928,1039 0.928,1040 5.27,1041 1.879,1042 6.116,1043 5.594,1044 4.779,1045 5.268,1046 2.639,1047 6.864,1048 4.671,1049 6.452,1050 1.865,1051 7.632,1052 5.342,1053 4.29,1054 5.017,1055 1.847,1056 7.597,1057 4.09,1058 7.737,1059 1.794,1060 9.242,1061 4.963,1062 6.312,1063 7.371,1064 3.582,1065 10.69,1066 6.123,1067 9.053,1068 1.727,1069 10.908,1070 4.858,1071 6.608,1072 7.89,1073 3.603,1074 12.277,1075 6.356,1076 10.4,1077 1.649,1078 12.611,1079 4.814,1080 8.103,1081 9.753,1082 4.922,1083 14.894,1084 7.855,1085 11.769,1086 1.383,1087 14.342,1088 3.679,1089 8.803,1090 10.659,1091 5.291,1092 16.902,1093 8.514,1094 13.157,1095 1.187,1096 16.096,1097 2.893,1098 10.072,1099 12.299,1100 6.39,1101 19.349,1102 9.782,1103 3.189,1104 0.923,1105 17.869,1106 2.605,1107 10.985,1108 13.415,1109 6.93,1110 21.561,1111 10.668,1112 2.77,1113 10.796,1114 19.66,1115 2.19,1116 12.16,1117 14.939,1118 7.902,1119 23.953,1120 11.837,1121 2.761,1122 8.107,1123 21.465,1124 4.136,1125 13.182,1126 16.174,1127 8.539,1128 26.256,1129 12.841,1130 2.485,1131 7.996,1132 23.283,1133 3.837,1134 14.322,1135 17.637,1136 9.436,1137 28.633,1138 13.972,1139 2.451,1140 7.36,1141 25.114,1142 3.688,1143 15.401,1144 18.94,1145 10.13,1146 30.977,1147 15.036,1148 2.168,1149 6.815,1150 26.954,1151 3.295,1152 16.533,1153 20.371,1154 10.981,1155 33.352,1156 16.157,1157 2.11,1158 6.352,1159 28.803,1160 2.886,1161 17.641,1162 21.713,1163 11.71,1164 35.714,1165 17.253,1166 35113,1167 61591,1168 29.126,1169 50.943,1170 64.078,1171 66.767,1172 65.973,1173 63.988,1174 63.611,1175 80.248,1176 10.723,1177 174.702,1178 59.867,1179 5.493,1180 5.728,1181 6.585,1182 5.252,1183 5.189,1184 7.136,1185 3.889,1186 17.882,1187 5.125,1188 23.239,1189 1.456,1190 1.517,1191 1.499,1192 1.454,1193 1.446,1194 1.824,1195 0.244,1196 3.971,1197 1.361,1198 4.036,1199 4.045,1200 4.105,1201 3.956,1202 7.435,1203 3.962,1204 3.94,1205 3.968,1206 3.952,1207 3.857,1208 7.427,1209 3.856,1210 3.88,1211 3.893,1212 3.878,1213 3.831,1214 5.034,1215 3.826,1216 3.769,1217 3.827,1218 3.622,1219 3.642,1220 4.901,1221 3.626,1222 3.609,1223 3.673,1224 3.582,1225 3.419,1226 4.814,1227 3.422,1228 3.524,1229 3.585,1230 3.51,1231 3.33,1232 4.632,1233 3.337,1234 3.457,1235 3.486,1236 3.455,1237 3.215,1238 4.571,1239 3.257,1240 3.332,1241 3.398,1242 3.384,1243 3.151,1244 4.329,1245 3.144,1246 0.103,1247 0.085,1248 0.152,1249 0.095,1250 0.072,1251 4.529,1252 0.094,1253 3.728,1254 0.05,1255 6.694,1256 0.245,1257 4.169,1258 0.071,1259 3.189,1260 4.136,1261 2.186,1262 10.796,1263 3.125,1264 1.912,1265 1.895,1266 2.052,1267 2.028,1268 1.392,1269 2.035,1270 1.907,1271 1.885,1272 2.008,1273 1.978,1274 1.209,1275 1.984,1276 1.865,1277 1.852,1278 1.963,1279 1.958,1280 1.112,1281 1.971,1282 1.773,1283 1.713,1284 1.939,1285 1.919,1286 1.101,1287 1.934,1288 1.576,1289 1.508,1290 1.831,1291 1.794,1292 1.051,1293 1.805,1294 1.426,1295 1.422,1296 1.692,1297 1.726,1298 0.855,1299 1.716,1300 1.404,1301 1.336,1302 1.658,1303 1.599,1304 0.683,1305 1.618,1306 1.346,1307 1.266,1308 1.494,1309 1.564,1310 0.664,1311 1.546,1312 4.489,1314 5.784,1315 2.398,1316 7.251,1317 4.844,1318 8.804,1319 7.018,1320 10.408,1322 3.635,1323 12.132,1328 7.808,1329 2.452,1330 16.937,1333 2.271,1340 48.227,1341 118.578,1342 269.416,1343 366.458,1344 422.142,1345 433.652,1346 433.652,1347 95.111,1348 8.349,1349 81.01,1350 81.01,1351 23,1352 12.712,1353 4.459,1354 3.7,1355 77.21,1356 307,1357 275,1358 0.118,1359 303.259,1360 544.71,1361 731.711,1362 70086,1363 2.7,1364 29.192,1365 0.712,1366 0.604,1367 30.192,1368 24.764,1369 19.8,1370 0.45,1371 0.327,1372 13.529,1373 18.479,1374 13.114,1375 10.92,1376 20.377,1377 14.403,1378 17.664,1379 0.299,1380 0.183,1381 18.481,1382 10.814,1383 13.706,1384 0.19,1385 0.097,1386 14.177,1387 6.979,1388 11.494,1389 0.124,1390 0.055,1391 12.289,1392 5.07,1393 8.5,1394 0.078,1395 0.029,1396 8.789,1397 3.111,1398 0.201,1399 130.102,1400 0.185,1401 38.512,1402 0.286,1403 206,1404 649.062,1405 256.782,1406 674.566,1407 888.91,1408 628,1409 234,1410 596.167,1411 272.739,1412 619.396,1413 900.96,1414 580,1415 4.351}
{0 CHEMBL364729,1 1.459,2 4.5,3 1.883,4 3.545,5 50.194,6 20.488,8 2.689,9 2.641,10 3.067,11 2.554,12 4.226,13 2.549,14 3.111,15 3.047,16 3.582,17 2.93,18 4.78,19 2.922,20 3.38,21 3.269,22 4.23,23 3.076,24 5.591,25 3.055,26 2.925,27 2.788,28 3.884,29 2.5,30 5.302,31 2.509,32 1.785,33 1.632,34 2.867,35 1.297,36 4.324,37 1.322,56 0.246,57 0.088,58 7.035,59 0.024,60 34.83,61 0.018,62 0.368,63 0.131,64 11.081,65 0.048,66 52.246,67 0.035,68 0.431,69 0.154,70 15.312,71 0.787,72 63.735,73 0.199,74 0.243,75 0.085,76 9.012,77 0.683,78 29.267,79 0.156,80 0.06,81 0.021,82 2.483,83 0.33,84 5.926,85 0.07,104 37,105 18,106 0.365,107 0.48,108 0.563,109 0.646,110 0.646,111 0.646,112 2.602,113 1.044,114 -3.48,115 -3.46,116 -3.31,121 50,140 4,158 2,191 1,192 2,200 3,206 4,214 2,219 2,227 1,281 60,282 7.243,283 7.243,284 7.243,285 7.243,286 7.243,287 6.357,288 3.16,289 3.853,290 7.566,291 5.743,292 5.743,293 5.743,294 5.743,295 5.743,296 4.402,297 1.669,298 1.725,299 6.547,300 2.126,301 1.667,302 1.333,303 1,304 1,305 1,306 3.174,308 4,312 1,313 102,314 1.732,318 37.6,325 0.5,326 26.055,329 1,330 0.83,331 1,332 0.4,334 1,335 1,336 0.75,337 27.333,338 54,339 4.619,340 3.997,341 6.828,342 4.166,343 3.236,344 4.149,346 10.928,347 3.01,348 3.751,349 3.266,350 5.791,351 3.238,352 2.303,353 3.039,355 7.292,356 1.979,357 3.667,358 3.193,359 5.791,360 3.162,361 2.303,362 2.883,364 7.292,365 1.873,366 2.318,367 2.398,368 3.618,369 1.568,370 0.618,371 0.886,373 1.464,374 0.482,375 1.797,376 2.012,377 3.618,378 1.317,379 0.618,380 0.676,382 1.464,383 0.341,384 1.215,385 1.668,386 2,387 0.617,393 0.24,394 -0.03,395 2,396 -0.216,397 -1.236,398 -1.332,400 -2.928,401 -0.645,403 -0.391,404 1.382,405 -0.581,406 -1.303,407 -1.59,409 -3.292,410 -0.798,412 -0.428,413 1.382,414 -0.695,415 -1.303,416 -1.611,418 -3.292,419 -1.133,420 -0.284,421 -1.31,422 1.209,423 -0.766,424 -1.618,425 -2,427 -5.464,428 -1.552,429 -0.499,430 -1.334,431 1.209,432 -0.81,433 -1.618,434 -2.335,436 -5.464,437 -1.557,438 -0.825,439 -2,440 1.172,441 -1,442 -2,443 -2.766,445 -8,446 -2,474 6.524,475 0.544,476 0.536,477 0.045,478 13.5,479 1.125,480 6,481 0.5,482 7.5,483 0.625,484 9.33,485 0.777,486 12.676,487 1.056,488 8.207,489 0.684,490 2.708,491 0.226,492 2.756,493 0.23,494 0.54,496 0.46,501 0.907,502 0.894,503 0.748,504 0.459,505 0.806,506 0.467,507 1.21,508 1.193,509 0.997,510 0.612,511 1.074,512 0.622,513 1.045,514 1.041,515 0.999,516 0.917,517 1.016,518 0.919,519 0.935,520 0.961,521 1.255,522 1.832,523 1.139,524 1.816,525 0.056,526 0.133,527 1.015,528 2.745,529 0.666,530 2.699,549 3,551 2.667,552 1.5,553 0.907,559 570,560 5362,561 1.732,572 1.469,573 1.5,574 2.241,575 -0.484,582 17.51,583 1.459,584 1.918,585 2.252,586 2.585,587 2.585,588 2.585,589 1,590 1,591 3.563,592 2.134,593 140.839,594 5.91,595 1028.39,597 1,600 43.02,601 1,602 3.396,603 0.25,605 0.148,606 0.071,607 0.076,613 0.545,614 1,615 1,616 0.799,617 40.226,624 -0.327,625 -0.317,626 -0.21,627 -0.001,628 -0.253,629 -0.006,630 -0.137,631 -0.129,632 -0.037,633 0.142,634 -0.074,635 0.138,636 -0.01,637 -0.024,638 -0.184,639 -0.499,640 -0.121,641 -0.491,642 0.959,643 0.903,644 0.262,645 -0.996,646 0.516,647 -0.963,666 2.601,667 3.89,668 0.5,669 5,670 1.143,671 1.085,672 2.254,673 5.081,674 0.989,675 2.565,676 2.944,677 3.219,678 3.219,679 3.219,680 2.944,681 1.946,685 2.86,686 0.983,687 245.86,688 2.565,689 4.111,690 4.977,691 5.855,692 6.735,693 7.615,694 8.496,695 9.378,696 10.259,697 11.14,741 12,743 4,745 12,747 12,748 6,752 6,753 4,756 1,757 1,758 4,772 6,776 4,777 4,782 2,786 6,794 2,796 6,797 4,808 1,809 2,829 1,841 2,849 4,859 1,865 4,868 12,892 4,893 16.7,896 2,901 8,902 2.405,903 2.667,904 0.601,907 1.021,908 1.207,909 0.92,910 2.832,911 5.956,912 2.833,913 3.434,914 3.97,915 4.205,916 4.454,917 4.443,918 3.714,922 0.25,923 21,924 4.393,925 0.006,926 1.967,927 0.026,929 8.87,931 7.376,932 0.003,933 5.714,934 0.005,936 3.37,937 40.444,938 0.002,942 24.269,944 156.595,945 50.29,948 24.269,949 206.884,954 74.559,958 156.595,960 24.269,961 50.29,962 156.595,965 50.29,969 10.267,970 170.597,973 50.29,974 180.864,978 24.269,981 206.884,983 50.29,984 180.864,986 0.619,987 0.403,988 0.166,989 0.069,990 9,991 6,995 1,996 2.12,997 68.544,999 6,1000 31.02,1005 10.058,1006 3.379,1007 1.553,1009 50.29,1018 231.154,1019 16,1024 21.781,1028 -3.028,1031 13.717,1032 13.025,1034 0.407,1035 0.535,1036 0.628,1037 0.721,1038 0.721,1039 0.721,1040 4.111,1041 -1.303,1042 5.056,1043 -2.928,1044 3.611,1045 4.111,1047 5.953,1048 3.367,1049 5.398,1050 -1.303,1051 6.72,1052 -3.292,1053 3.611,1054 4.29,1056 7.05,1057 3.219,1058 6.777,1059 -1.618,1060 8.479,1061 -3.292,1062 5.323,1063 6.351,1065 10.17,1066 4.946,1067 8.188,1068 -1.618,1069 10.282,1070 -5.464,1071 6.043,1072 7.245,1074 11.942,1075 5.517,1076 9.624,1077 -2,1078 12.109,1079 -5.464,1080 7.353,1081 8.879,1083 14.658,1084 6.848,1085 11.077,1087 13.952,1088 -8,1089 8.343,1090 10.061,1092 16.728,1093 7.725,1094 12.543,1096 15.806,1098 9.545,1099 11.557,1101 19.287,1102 8.916,1103 3.236,1105 17.669,1107 10.642,1108 12.869,1110 21.51,1111 9.923,1112 2.303,1113 10.928,1114 19.539,1116 11.818,1117 14.317,1119 23.991,1120 11.061,1121 2.303,1122 7.292,1123 21.416,1124 4.149,1125 12.958,1126 15.688,1128 26.295,1129 12.123,1130 0.618,1131 7.292,1132 23.298,1133 3.039,1134 14.129,1135 17.119,1137 28.735,1138 13.24,1139 0.618,1140 1.464,1141 25.186,1142 2.883,1143 15.288,1144 18.518,1146 31.08,1147 14.325,1149 1.464,1150 27.077,1151 0.886,1152 16.459,1153 19.943,1155 33.498,1156 15.434,1157 -1.236,1159 28.973,1160 0.676,1161 17.627,1162 21.354,1164 35.865,1165 16.528,1166 708,1167 2192,1168 6.592,1169 11.863,1170 18.972,1171 22.028,1172 21.294,1173 18.568,1174 18.155,1175 23.267,1177 56.879,1178 15.369,1179 5.443,1180 5.997,1181 5.657,1182 5.166,1183 5.236,1184 6.915,1186 18.928,1187 5.01,1188 8.324,1189 1.581,1190 1.836,1191 1.775,1192 1.547,1193 1.513,1194 1.939,1196 4.74,1197 1.281,1198 3.891,1199 3.869,1200 4.231,1201 3.829,1202 7.497,1203 3.827,1204 3.069,1205 3.035,1206 3.752,1207 3.01,1208 7.352,1209 2.988,1210 3.057,1211 3.016,1212 3.47,1213 2.872,1214 5.057,1215 2.903,1216 2.197,1217 2.116,1218 3.245,1219 1.821,1220 4.734,1221 1.861,1222 1.863,1223 1.775,1224 3.105,1225 1.796,1226 4.451,1227 1.703,1228 1.699,1229 1.601,1230 2.417,1231 1.571,1232 4.371,1233 1.519,1234 0.757,1235 0.662,1236 1.841,1237 0.705,1238 3.015,1239 0.593,1240 0.537,1241 0.456,1242 1.286,1243 0.455,1244 2.317,1245 0.383,1246 0.385,1247 0.333,1248 0.569,1249 0.347,1250 0.27,1251 4.619,1252 0.346,1253 3.997,1255 6.828,1256 0.911,1257 4.166,1258 0.251,1259 3.236,1260 4.149,1262 10.928,1263 3.01,1264 1.785,1265 1.802,1266 1.701,1267 1.869,1268 0.887,1269 1.848,1270 0.922,1271 0.948,1272 0.767,1273 1.06,1275 1.011,1276 0.863,1277 0.896,1278 0.754,1279 1.021,1281 1.002,1285 0.245,1287 0.124,1312 3.219,1314 4.575,1316 6.151,1318 7.823,1320 9.543,1323 21.691,1340 11.793,1341 17.51,1342 23.02,1343 27.02,1344 31.02,1345 31.02,1346 31.02,1347 32.404,1348 4.934,1349 34.14,1350 34.14,1351 6,1352 11.675,1353 2.322,1354 2.322,1355 21.598,1356 24,1357 10,1358 0.605,1359 90.546,1360 167.86,1361 212.691,1362 486,1363 33.3,1364 9.464,1365 0.789,1366 0.696,1367 11.464,1368 8.352,1369 5.464,1370 0.455,1371 0.348,1372 2.756,1373 4.291,1374 2.577,1375 2.065,1376 6.619,1377 4.176,1378 5.155,1379 0.286,1380 0.19,1381 6.488,1382 3.426,1383 4.976,1384 0.207,1385 0.123,1386 7.329,1387 2.95,1388 2.873,1389 0.12,1390 0.059,1391 4.183,1392 1.409,1393 1.659,1394 0.069,1395 0.029,1396 2.415,1397 0.705,1398 0.828,1399 46.641,1400 0.389,1401 11.444,1402 2.044,1403 60,1404 300.285,1405 126.285,1406 402.149,1407 480.28,1408 364,1409 72,1410 234.724,1411 144.134,1412 275.332,1413 411.23,1414 256,1415 5.777}
{0 CHEMBL364734,1 1.336,2 6.947,3 3.151,4 9.926,5 73.566,6 7.323,7 0.6,8 3.63,9 3.723,10 3.178,11 3.193,12 4.785,13 3.169,14 4.133,15 4.268,16 3.501,17 3.51,18 5.245,19 3.485,20 4.297,21 4.432,22 3.708,23 3.637,24 5.581,25 3.62,26 4.465,27 4.609,28 3.703,29 3.664,30 5.725,31 3.656,32 4.53,33 4.681,34 3.59,35 3.72,36 5.779,37 3.666,38 4.545,39 4.787,40 3.259,41 3.701,42 5.498,43 3.538,44 4.371,45 4.672,46 2.712,47 3.452,48 5.114,49 3.202,50 3.925,51 4.275,52 1.974,53 2.885,54 4.511,55 2.575,56 0.004,57 0.417,58 6.976,59 3.515,60 6.909,61 4.263,62 0.249,63 0.652,64 13.298,65 5.436,66 21.791,67 6.508,68 0.249,69 0.773,70 15.403,71 6.477,72 36.502,73 7.987,74 0.271,75 0.871,76 19.457,77 7.129,78 41.995,79 8.139,80 0.372,81 0.934,82 21.014,83 7.685,84 64.906,85 8.825,86 0.255,87 0.999,88 21.939,89 8.667,90 42.207,91 11.623,92 0.162,93 0.855,94 19.015,95 7.631,96 29.841,97 11.031,98 0.095,99 0.541,100 12.717,101 4.905,102 18.666,103 7.441,104 14,105 27,106 0.246,107 0.493,108 0.565,109 0.687,110 0.748,111 0.758,112 3.012,113 0.9,114 -4.28,115 -4.21,116 -3.98,121 45.7,126 2,133 1,144 10,145 2,159 1,176 12,179 1,180 3,187 12,191 2,192 9,200 7,206 12,214 4,219 9,227 8,232 3,239 10,251 8,264 4,277 1,281 453,282 13.068,283 13.068,284 13.068,285 13.068,286 13.068,287 11.551,288 8.606,289 7.674,290 13.073,291 9.631,292 9.631,293 9.631,294 9.631,295 9.631,296 7.448,297 7.645,298 3.364,299 9.643,300 3.793,301 2.456,302 2.064,303 1.401,304 1.072,305 1.015,306 3.664,310 1,311 1,312 1,313 271,314 3.464,318 134.224,325 0.909,326 19.029,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 41,338 132,339 4.738,340 4.393,341 7.97,342 4.618,343 3.614,344 4.056,345 2.614,346 15.06,347 3.626,348 3.958,349 3.128,350 5.983,351 3.573,352 2.564,353 3.508,354 0.837,355 8.072,356 2.585,357 3.499,358 2.212,359 5.123,360 3.066,361 2.068,362 2.884,363 0.532,364 5.565,365 2.062,366 3.037,367 2.14,368 4.236,369 2.591,370 1.577,371 2.224,373 3.441,374 1.594,375 2.669,376 1.478,377 3.648,378 2.231,379 1.237,380 1.735,382 2.781,383 1.228,384 2.5,385 1.395,386 3.5,387 2,388 1,389 1.5,391 2.136,392 1,393 2.5,394 1.323,395 3.414,396 2,397 1,398 1.5,400 2.136,401 1,402 2.355,403 1,404 3.247,405 1.847,406 0.81,407 1.152,409 1.873,410 0.828,411 1.618,412 1,413 3.247,414 1.477,415 0.618,416 0.618,418 0.828,419 0.525,420 1.07,421 0.747,422 2.814,423 0.814,424 -0.083,425 -0.092,427 -0.113,428 -0.073,429 0.749,430 -0.314,431 2.505,432 0.28,433 -0.747,434 -1.045,436 -1.608,437 -0.76,438 0.589,439 -0.575,440 1.555,441 0.171,442 -0.821,443 -1.132,445 -1.739,446 -0.817,447 0.5,448 -0.758,449 1.555,451 -1,452 -1.5,454 -2.347,455 -1,456 0.5,457 -0.839,458 1.453,460 -1,461 -1.5,463 -2.347,464 -1,465 -0.139,466 -1,467 1.063,468 -0.453,469 -1.497,470 -1.618,472 -4.329,473 -1.525,474 9,475 0.474,476 0.344,477 0.018,478 24.75,479 1.303,480 13.5,481 0.711,482 11.25,483 0.592,484 12.449,485 0.655,486 20.4,487 0.583,488 18.509,489 0.974,490 5.457,491 0.287,492 3.786,493 0.199,494 0.148,495 0.056,496 0.167,501 0.742,502 1.143,503 0.783,504 1.118,505 0.647,506 0.984,507 1.229,508 0.864,509 0.916,510 0.849,511 0.879,512 0.83,513 0.828,514 1.149,515 0.761,516 1.114,517 0.81,518 0.957,519 1.892,520 1.066,521 1.131,522 1.025,523 1.544,524 0.956,525 1.961,526 1.058,527 1.413,528 1.053,529 2.36,530 1.121,531 0.865,532 1.008,533 1.125,534 1.033,535 0.891,536 1.11,537 0.321,538 0.988,539 0.97,540 1.025,541 0.419,542 1.099,543 0.068,544 0.867,545 0.752,546 0.9,547 0.173,548 0.94,549 3.5,551 2.889,552 2,553 0.92,554 0.549,555 0.242,556 0.104,557 0.032,559 2656,560 7253,561 1.982,562 45.7,564 16,572 1.613,573 1.854,574 2.784,575 -0.828,577 1,579 1,582 46.77,583 1.336,584 2.674,585 3.065,586 3.729,587 4.058,588 4.115,589 2.189,590 3.471,591 4.22,592 2.864,593 489.74,594 7.238,595 4733.61,596 1,597 1,599 1,600 179.525,601 1.483,602 4.165,603 0.175,605 0.107,606 0.063,607 0.03,608 0.02,609 0.013,610 0.01,611 0.008,613 0.426,614 0.67,615 1,616 0.986,617 80.031,618 -0.002,619 -0.089,620 0.047,621 -0.076,622 -0.08,623 -0.017,624 0.016,625 0.148,626 0.038,627 0.141,628 -0.103,629 0.101,630 0.317,631 -0.144,632 0.184,633 -0.127,634 0.318,635 -0.017,636 -0.24,637 -0.087,638 -0.101,639 -0.079,640 -0.031,641 -0.067,642 -0.361,643 -0.08,644 -0.394,645 -0.106,646 -0.378,647 -0.231,648 -0.096,649 -0.049,650 -0.165,651 -0.062,652 -0.103,653 -0.115,654 0.05,655 -0.048,656 -0.025,657 -0.051,658 0.01,659 -0.051,660 0.163,661 0.048,662 0.221,663 0.065,664 0.134,665 0.139,666 2.65,667 5.679,668 0.632,669 11.186,670 1.001,671 1.113,672 3.046,673 9.275,674 0.67,675 3.045,676 3.332,677 3.664,678 3.829,679 3.892,680 3.714,681 3.714,682 3.555,683 3.219,684 2.833,685 4.256,686 0.639,687 256.32,688 3.045,689 4.554,690 5.416,691 6.293,692 7.177,693 8.066,694 8.957,695 9.851,696 10.746,697 11.642,715 10,720 2,722 12,727 1,741 35,743 13,744 2,745 20,747 36,748 16,749 12,750 2,751 10,752 1,756 2,757 2,770 1,772 13,773 3,777 1,782 1,786 1,790 1,793 16,794 3,796 3,808 1,809 3,829 2,858 2,859 2,864 2,868 19,878 2,882 1,893 8.6,896 1,897 2,901 10.25,902 6.833,903 4.528,904 1.868,907 1.925,908 1.325,909 0.923,910 4.102,911 7.855,912 3.332,913 3.85,914 4.425,915 4.892,916 5.318,917 5.205,918 5.511,919 5.577,920 5.558,921 5.614,922 0.8,923 32,924 7.032,926 2.912,927 0.026,929 7.829,931 13.151,933 10.181,936 2.329,937 44.25,938 0.001,941 188.338,942 128.033,945 47.145,948 128.033,949 235.482,951 21.766,953 94.762,954 52.278,955 6.371,957 188.338,959 188.338,960 128.033,961 47.145,964 188.338,965 25.145,966 22,969 128.033,972 188.338,973 47.145,974 128.033,977 188.338,978 11.505,979 116.529,981 47.145,982 188.338,983 47.145,984 128.033,986 0.563,987 0.373,988 0.205,989 0.095,990 12,991 5,992 0.139,993 5,995 1,996 2.966,997 137.822,999 12,1000 68.711,1005 13.47,1006 5.786,1007 2.434,1009 47.145,1010 18.189,1015 1.226,1018 363.516,1019 27,1024 12.679,1028 -0.218,1031 35.051,1032 38.95,1034 0.261,1035 0.521,1036 0.598,1037 0.727,1038 0.791,1039 0.802,1040 4.533,1041 0.81,1042 5.425,1043 2.136,1044 4.007,1045 4.533,1046 2.661,1047 6.354,1048 4.007,1049 5.732,1050 0.618,1051 7.076,1052 1.873,1053 3.761,1054 4.159,1055 2.469,1056 7.968,1057 3.789,1058 7.052,1059 -0.083,1060 8.873,1061 0.828,1062 5.753,1063 6.659,1064 4.088,1065 11.092,1066 5.762,1067 8.425,1068 -0.747,1069 10.766,1070 -0.113,1071 6.479,1072 7.151,1073 4.67,1074 13.533,1075 6.504,1076 9.843,1077 -0.821,1078 12.722,1079 -1.608,1080 7.958,1081 9.088,1082 5.847,1083 16.335,1084 7.977,1085 11.293,1086 -1,1087 14.718,1088 -1.739,1089 9.049,1090 9.98,1091 6.681,1092 18.978,1093 9.077,1094 12.767,1095 -1,1096 16.739,1097 -2.347,1098 10.381,1099 11.664,1100 7.716,1101 21.713,1102 10.408,1103 3.614,1104 -1.497,1105 18.777,1106 -2.347,1107 11.599,1108 12.768,1109 8.633,1110 24.407,1111 11.632,1112 2.564,1113 15.06,1114 20.827,1115 -4.329,1116 12.892,1117 14.32,1118 9.62,1119 27.125,1120 12.927,1121 2.068,1122 8.072,1123 22.884,1124 4.056,1125 14.153,1126 15.545,1127 10.566,1128 29.832,1129 14.192,1130 1.577,1131 5.565,1132 24.946,1133 3.508,1134 15.438,1135 17.025,1136 11.536,1137 32.546,1138 15.479,1139 1.237,1140 3.441,1141 27.012,1142 2.884,1143 16.713,1144 18.32,1145 12.491,1146 35.256,1147 16.758,1148 1,1149 2.781,1150 29.08,1151 2.224,1152 17.997,1153 19.761,1154 13.456,1155 37.969,1156 18.045,1157 1,1158 2.136,1159 31.151,1160 1.735,1161 19.278,1162 21.098,1163 14.415,1164 40.681,1165 19.329,1166 2754,1167 4623,1168 13,1169 23.455,1170 29.45,1171 30.433,1172 32.364,1173 28.984,1174 28.977,1175 38.355,1176 7.965,1177 83.785,1178 28.897,1179 5.569,1180 6.393,1181 7.772,1182 5.618,1183 5.614,1184 7.056,1185 4.222,1186 23.289,1187 5.626,1188 8.437,1189 1.472,1190 1.522,1191 1.618,1192 1.449,1193 1.449,1194 1.918,1195 0.398,1196 4.189,1197 1.445,1198 3.988,1199 4.003,1200 3.938,1201 3.911,1202 7.427,1203 3.913,1204 3.851,1205 3.88,1206 3.779,1207 3.795,1208 4.871,1209 3.787,1210 3.5,1211 3.517,1212 3.418,1213 3.279,1214 4.715,1215 3.311,1216 3.168,1217 3.255,1218 2.969,1219 2.884,1220 4.614,1221 2.888,1222 3.111,1223 3.157,1224 2.912,1225 2.868,1226 4.315,1227 2.859,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 3.674,1239 2.715,1240 2.811,1241 2.869,1242 2.658,1243 2.699,1244 3.614,1245 2.681,1246 0.237,1247 0.22,1248 0.399,1249 0.231,1250 0.181,1251 4.738,1252 0.203,1253 4.393,1254 0.131,1255 7.97,1256 0.753,1257 4.618,1258 0.181,1259 3.614,1260 4.056,1261 2.614,1262 15.06,1263 3.626,1264 1.945,1265 1.928,1266 2.048,1267 2.041,1268 1.147,1269 2.04,1270 1.862,1271 1.834,1272 1.99,1273 1.942,1274 1.049,1275 1.959,1276 1.396,1277 1.378,1278 1.639,1279 1.672,1280 0.647,1281 1.656,1282 1.144,1283 1.049,1284 1.557,1285 1.474,1286 0.564,1287 1.503,1288 1.068,1289 1.008,1290 1.304,1291 1.303,1292 0.421,1293 1.304,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.83,1307 0.777,1308 1.074,1309 0.987,1310 0.171,1311 1.019,1312 3.714,1314 5.004,1316 6.553,1318 8.205,1320 9.909,1322 2.939,1330 10.835,1334 -1.4,1340 22.359,1341 46.77,1342 93.577,1343 107.286,1344 130.505,1345 142.015,1346 144.015,1347 34.263,1348 5.93,1349 35.53,1350 35.53,1351 12,1352 12.167,1353 3.807,1354 3,1355 33.219,1356 45,1357 49,1358 0.359,1359 140.958,1360 246.73,1361 335.698,1362 2056,1364 13.717,1365 0.722,1366 0.579,1367 13.717,1368 10.998,1369 9.242,1370 0.462,1371 0.3,1372 5.903,1373 8.898,1374 5.691,1375 4.798,1376 9.242,1377 6,1378 7.462,1379 0.276,1380 0.151,1381 7.462,1382 4.086,1383 6.998,1384 0.184,1385 0.081,1386 6.998,1387 3.064,1388 5.624,1389 0.125,1390 0.046,1391 5.624,1392 2.073,1393 3.825,1394 0.08,1395 0.026,1396 3.825,1397 1.233,1398 0.525,1399 58.153,1400 0.277,1401 18.47,1402 1.114,1403 94,1404 299.207,1405 103.41,1406 281.089,1407 378.26,1408 264,1409 112,1410 264.727,1411 122.852,1412 271.211,1413 401.88,1414 252,1415 4}
{0 CHEMBL364893,1 1.495,2 5.714,3 1.514,4 2.292,5 47.378,6 8.735,7 0.667,8 3.251,9 3.302,10 2.928,11 2.745,12 4.56,13 2.792,14 3.696,15 3.765,16 3.248,17 3.045,18 5.01,19 3.097,20 3.837,21 3.963,22 3.144,23 2.914,24 5.401,25 2.944,26 3.699,27 3.797,28 3.123,29 2.806,30 5.316,31 2.878,32 3.648,33 3.786,34 2.863,35 2.702,36 5.09,37 2.727,38 3.394,39 3.571,40 2.46,41 2.453,42 4.582,43 2.437,44 3.005,45 3.214,46 1.815,47 2.216,48 3.912,49 2.088,50 2.492,51 2.803,52 0.531,53 1.532,54 3.045,55 1.219,56 0.134,57 0.265,58 3.275,59 2.112,60 13.556,61 1.933,62 0.257,63 0.404,64 5.84,65 3.209,66 23.632,67 2.908,68 0.593,69 0.431,70 9.466,71 3.479,72 62.936,73 3.607,74 0.473,75 0.372,76 7.613,77 2.942,78 43.485,79 2.763,80 0.431,81 0.355,82 8.035,83 2.862,84 44.136,85 2.84,86 0.294,87 0.279,88 6.763,89 2.299,90 31.69,91 2.475,92 0.175,93 0.2,94 4.498,95 1.708,96 10.821,97 2.054,98 0.067,99 0.121,100 3.058,101 1.113,102 5.832,103 1.761,104 5,105 20,106 0.308,107 0.661,108 0.787,109 0.881,110 0.918,111 0.918,112 2.733,113 0.816,114 -0.95,115 -1.05,116 -1.15,121 45.5,129 1,144 4,153 2,154 2,159 1,176 2,180 4,191 1,192 1,195 2,197 1,205 1,206 2,209 1,211 2,218 1,219 3,224 1,227 1,232 2,239 2,251 1,281 172,282 9.466,283 9.466,284 9.466,285 9.466,286 9.466,287 8.181,288 6.375,289 5.695,290 9.467,291 7.369,292 7.369,293 7.369,294 7.369,295 7.369,296 5.463,297 6.543,298 2.673,299 7.371,300 2.965,301 1.25,302 0.636,303 0.182,306 3.367,311 1,312 1,313 168,314 2.646,317 79.649,325 0.898,326 21.624,329 1,330 0.83,331 0.83,332 0.4,334 1,335 1,336 0.72,337 32,338 80,339 4.316,340 3.831,341 6.527,342 4.045,343 3.042,344 3.805,345 1.848,346 10.025,347 3.046,348 3.923,349 2.84,350 5.707,351 3.521,352 2.521,353 3.49,354 0.443,355 7.59,356 2.518,357 3.3,358 2.198,359 4.617,360 2.861,361 1.858,362 2.563,364 4.624,365 1.859,366 2.7,367 1.783,368 3.696,369 2.285,370 1.284,371 1.755,373 2.828,374 1.28,375 2.276,376 1.037,377 3.228,378 1.795,379 0.792,380 1.133,382 1.863,383 0.791,384 2.118,385 0.886,386 3,387 1.618,388 0.618,389 0.927,391 1.372,392 0.618,393 2.118,394 0.618,395 3,396 1.618,397 0.618,398 0.927,400 1.372,401 0.618,402 1.74,403 0.618,404 2.735,405 1.274,406 0.272,407 0.373,409 0.608,410 0.266,411 0.24,412 -0.286,413 2,414 -0.151,415 -1.194,416 -1.361,418 -2.744,419 -1.126,420 0.06,421 -0.817,422 1.458,423 -0.275,424 -1.231,425 -1.669,427 -2.828,428 -1.279,429 -0.118,430 -1.246,431 1.226,432 -0.504,433 -1.497,434 -1.861,436 -3.633,437 -1.502,438 -0.118,439 -1.618,440 1,441 -0.618,442 -1.618,443 -2.427,445 -4.372,446 -1.618,447 -0.179,448 -1.618,449 1,450 -0.618,451 -1.618,452 -2.427,454 -4.372,455 -1.618,456 -0.534,457 -1.74,458 0.404,459 -0.849,460 -1.846,461 -2.598,462 -0.763,463 -5.198,464 -1.852,465 -0.842,466 -1.866,467 0.403,468 -1,469 -2,470 -2.63,471 -1.528,472 -7.135,473 -2,474 6.333,475 0.452,476 0.298,477 0.021,478 18.5,479 1.321,480 9.5,481 0.679,482 9,483 0.643,484 7.2,485 0.514,486 15.267,487 0.694,488 11.545,489 0.825,490 4.067,491 0.29,492 2.721,493 0.194,494 0.105,496 0.316,501 0.879,502 1.09,503 0.67,504 1.051,505 0.786,506 0.848,507 1.076,508 1.232,509 0.882,510 1.197,511 0.884,512 1.023,513 0.957,514 0.938,515 1.01,516 0.947,517 0.917,518 0.986,519 1.161,520 1.047,521 0.973,522 1.023,523 1.472,524 0.948,525 1.255,526 0.963,527 1.164,528 0.96,529 1.619,530 1.007,531 1.238,532 0.856,533 1.163,534 0.859,535 1.074,536 0.947,537 0.812,538 0.806,539 1.296,540 0.879,541 0.338,542 1.179,543 0.056,544 1.276,545 1.064,546 1.381,547 0.13,548 1.571,549 2,551 1.778,552 0.806,553 0.64,554 0.222,555 0.059,559 1301,560 4718,561 2.034,562 36.4,564 5,565 2,567 1,572 1.51,573 1.909,574 2.634,575 -0.166,579 1,582 32.888,583 1.495,584 3.209,585 3.823,586 4.278,587 4.459,588 4.459,589 1.95,590 2.236,591 3.784,592 2.683,593 244.148,594 6.309,595 1911.6,597 1,600 98.107,601 1.379,602 3.74,603 0.133,605 0.089,606 0.05,607 0.04,608 0.019,609 0.007,613 0.338,614 0.67,615 1,616 0.673,617 52.519,618 -0.125,619 -0.061,620 0.007,621 -0.043,622 -0.149,623 0.015,624 -0.19,625 -0.237,626 -0.117,627 -0.224,628 -0.163,629 -0.163,630 0.159,631 0.003,632 -0.011,633 -0.017,634 0.236,635 -0.066,636 0.024,637 -0.099,638 -0.016,639 -0.1,640 -0.012,641 -0.081,642 -0.142,643 -0.029,644 -0.149,645 -0.034,646 -0.259,647 -0.078,648 -0.249,649 0.072,650 -0.105,651 0.082,652 -0.219,653 0.057,654 -0.132,655 0.141,656 -0.298,657 0.106,658 -0.032,659 -0.093,660 0.29,661 -0.388,662 0.084,663 -0.394,664 0.198,665 -0.281,666 2.629,667 4.5,668 0.714,669 5.959,670 1.038,671 1.114,672 -0.279,673 0.078,674 0.676,675 2.773,676 3.045,677 3.296,678 3.434,679 3.219,680 3.219,681 3.045,682 2.833,683 2.565,684 2.197,685 3.749,686 0.68,687 192.18,688 2.773,689 4.263,690 5.094,691 5.938,692 6.783,693 7.632,694 8.481,695 9.331,696 10.182,697 11.033,715 6,718 2,720 2,722 10,727 1,741 22,743 11,745 15,747 23,748 10,749 8,752 1,756 2,757 2,770 1,772 9,773 1,777 1,782 1,786 1,790 1,792 2,793 8,794 4,795 1,796 4,808 1,809 4,811 1,828 2,857 1,859 2,868 14,875 1,880 1,893 18.2,894 1,896 1,898 2,901 7.333,902 3.783,903 3.167,904 1.143,907 1.584,908 1.295,909 0.889,910 2.413,911 6.95,912 3.091,913 3.624,914 4.171,915 4.631,916 4.46,917 4.722,918 4.722,919 4.808,920 4.925,921 4.925,922 0.75,923 16,924 5.165,925 0.002,926 2.23,927 0.026,929 8.238,931 9.288,932 0.001,933 7.267,934 -0.001,936 2.738,937 38.333,938 0.002,941 82.398,942 77.415,945 86.843,948 77.415,949 169.241,953 104.067,954 30.278,955 19.015,956 34.44,957 58.856,959 82.398,960 77.415,961 86.843,964 82.398,965 44.16,966 42.683,969 77.415,972 82.398,973 86.843,974 77.415,977 82.398,978 16.031,979 61.384,981 86.843,982 82.398,983 86.843,984 77.415,986 0.573,987 0.348,988 0.178,989 0.062,990 10,991 4,992 0.13,993 3,995 1,996 2.662,997 85.605,999 10,1000 53.303,1005 9.089,1006 3.717,1007 1.752,1009 86.843,1010 8.992,1013 9.765,1015 0.334,1017 42.683,1018 246.656,1019 21,1024 11.5,1028 -0.509,1031 22.844,1032 24.498,1034 0.335,1035 0.72,1036 0.857,1037 0.959,1038 1,1039 1,1040 4.27,1041 0.272,1042 5.056,1043 1.372,1044 3.714,1045 4.304,1046 2.019,1047 5.832,1048 3.714,1049 5.45,1050 -1.194,1051 6.603,1052 0.608,1053 3.219,1054 3.829,1055 1.22,1056 6.706,1057 3.219,1058 6.726,1059 -1.231,1060 8.261,1061 -2.744,1062 5.263,1063 6.398,1064 2.917,1065 9.815,1066 5.265,1067 8.047,1068 -1.497,1069 9.986,1070 -2.828,1071 5.707,1072 6.902,1073 2.638,1074 11.536,1075 5.71,1076 9.404,1077 -1.618,1078 11.753,1079 -3.633,1080 7.133,1081 8.744,1082 3.984,1083 14.142,1084 7.138,1085 10.785,1086 -1.618,1087 13.548,1088 -4.372,1089 7.958,1090 9.671,1091 4.007,1092 16.172,1093 7.963,1094 12.181,1095 -1.846,1096 15.361,1097 -4.372,1098 9.173,1099 11.224,1100 5.117,1101 18.61,1102 9.181,1103 3.042,1104 -2,1105 17.186,1106 -5.198,1107 10.155,1108 12.351,1109 5.332,1110 20.777,1111 10.165,1112 2.521,1113 10.025,1114 19.02,1115 -7.135,1116 11.296,1117 13.776,1118 6.282,1119 23.144,1120 11.307,1121 1.858,1122 7.59,1123 20.861,1124 3.805,1125 12.346,1126 15.001,1127 6.624,1128 25.378,1129 12.359,1130 1.284,1131 4.624,1132 22.708,1133 3.49,1134 13.462,1135 16.368,1136 7.467,1137 27.713,1138 13.476,1139 0.792,1140 2.828,1141 24.558,1142 2.563,1143 14.542,1144 17.642,1145 7.895,1146 29.981,1147 14.557,1148 0.618,1149 1.863,1150 26.412,1151 1.755,1152 15.65,1153 18.983,1154 8.665,1155 32.3,1156 15.667,1157 0.618,1158 1.372,1159 28.27,1160 1.133,1161 16.744,1162 20.281,1163 9.152,1164 34.586,1165 16.763,1166 1339,1167 2621,1168 9.94,1169 14.864,1170 22.584,1171 22.694,1172 22.353,1173 22.033,1174 22.009,1175 29.947,1176 4.582,1177 60.568,1178 21.991,1179 5.158,1180 5.697,1181 6.124,1182 5.045,1183 5.042,1184 6.435,1185 3.376,1186 17.16,1187 5.046,1188 5.393,1189 1.506,1190 1.513,1191 1.49,1192 1.469,1193 1.467,1194 1.996,1195 0.305,1196 4.038,1197 1.466,1198 3.972,1199 3.971,1200 3.929,1201 3.812,1202 7.428,1203 3.837,1204 3.832,1205 3.837,1206 3.778,1207 3.67,1208 6.445,1209 3.692,1210 3.314,1211 3.325,1212 3.239,1213 3.108,1214 5.062,1215 3.133,1216 2.684,1217 2.7,1218 2.573,1219 2.434,1220 5.035,1221 2.448,1222 2.424,1223 2.496,1224 2.239,1225 2.169,1226 3.622,1227 2.167,1228 2.417,1229 2.477,1230 2.238,1231 2.083,1232 3.62,1233 2.117,1234 2.235,1235 2.279,1236 2.055,1237 1.794,1238 3.326,1239 1.861,1240 2.101,1241 2.127,1242 1.97,1243 1.638,1244 3.134,1245 1.732,1246 0.288,1247 0.255,1248 0.435,1249 0.27,1250 0.203,1251 4.316,1252 0.254,1253 3.831,1254 0.123,1255 6.527,1256 0.668,1257 4.045,1258 0.203,1259 3.042,1260 3.805,1261 1.848,1262 10.025,1263 3.046,1264 1.664,1265 1.659,1266 1.764,1267 1.849,1268 0.906,1269 1.809,1270 1.468,1271 1.431,1272 1.647,1273 1.588,1274 0.693,1275 1.607,1276 1.39,1277 1.364,1278 1.561,1279 1.586,1280 0.557,1281 1.585,1282 1.208,1283 1.217,1284 1.327,1285 1.516,1286 0.263,1287 1.45,1288 0.741,1289 0.725,1290 0.997,1291 1.119,1293 1.069,1294 0.194,1295 0.173,1296 0.55,1297 0.742,1299 0.66,1302 0.365,1303 0.239,1305 0.286,1308 0.342,1309 0.104,1311 0.195,1312 3.434,1314 4.71,1315 3.045,1316 6.163,1317 5.13,1318 7.699,1319 6.986,1320 9.283,1327 9.546,1332 -1.295,1340 14.966,1341 32.888,1342 70.598,1343 84.107,1344 94.107,1345 98.107,1346 98.107,1347 22.377,1348 5.366,1349 63.58,1350 63.58,1351 10,1352 11.59,1353 3.585,1354 2.807,1355 21.285,1356 31,1357 22,1358 0.355,1359 93.255,1360 157,1361 219.302,1362 1017,1364 9.966,1365 0.712,1366 0.515,1367 9.966,1368 7.213,1369 6.788,1370 0.453,1371 0.272,1372 3.989,1373 6.397,1374 3.953,1375 3.255,1376 6.788,1377 4.08,1378 5.807,1379 0.29,1380 0.138,1381 5.807,1382 2.76,1383 5.116,1384 0.197,1385 0.07,1386 5.116,1387 1.825,1388 3.825,1389 0.127,1390 0.038,1391 3.825,1392 1.13,1393 1.906,1394 0.079,1395 0.02,1396 1.906,1397 0.478,1398 0.525,1399 43.697,1400 0.317,1401 14.12,1402 1.061,1403 70,1404 287.356,1405 81.293,1406 261.832,1407 344.26,1408 244,1409 81,1410 241.636,1411 93.291,1412 236.936,1413 346.13,1414 223,1415 4}
{0 CHEMBL365129,1 1.451,2 7.706,3 2.946,4 8.681,5 69.26,6 7.947,7 0.667,8 3.502,9 3.583,10 3.355,11 3.224,12 4.532,13 3.125,14 4.019,15 4.135,16 3.508,17 3.563,18 5.326,19 3.449,20 4.299,21 4.481,22 3.496,23 3.629,24 5.418,25 3.47,26 4.237,27 4.459,28 3.483,29 3.513,30 5.36,31 3.331,32 4.15,33 4.329,34 3.346,35 3.347,36 5.508,37 3.236,38 3.99,39 4.198,40 2.95,41 3.148,42 5.251,43 3.046,44 3.69,45 3.917,46 2.566,47 2.981,48 4.694,49 2.836,50 3.498,51 3.747,52 2.358,53 2.834,54 4.335,55 2.66,56 0.055,57 0.382,58 8.391,59 3.576,60 12.653,61 3.989,62 0.14,63 0.636,64 14.659,65 6.114,66 41.502,67 6.86,68 0.181,69 0.811,70 17.801,71 7.384,72 47.481,73 8.523,74 0.091,75 0.81,76 21.727,77 8.132,78 29.323,79 9.146,80 0.211,81 0.697,82 19.349,83 6.708,84 55.886,85 6.777,86 0.198,87 0.577,88 14.6,89 5.227,90 48.916,91 5.879,92 0.101,93 0.431,94 8.88,95 3.76,96 24.499,97 4.943,98 0.027,99 0.366,100 7.102,101 3.26,102 8.181,103 4.611,104 5,105 24,106 0.273,107 0.443,108 0.502,109 0.594,110 0.628,111 0.628,112 2.907,113 1.21,114 -4.4,115 -4.33,116 -4.08,121 45.2,127 2,144 10,145 2,176 12,179 1,187 12,192 4,200 6,206 8,214 1,219 8,227 4,232 4,239 8,251 10,264 8,277 4,281 330,282 11.276,283 11.276,284 11.276,285 11.276,286 11.276,287 9.435,288 7.888,289 6.993,290 11.514,291 8.948,292 8.948,293 8.948,294 8.948,295 8.948,296 6.296,297 7.686,298 3.402,299 9.367,300 3.503,301 2.595,302 2.282,303 1.791,304 1.613,305 1.613,306 3.56,311 1,312 1,313 274,314 3,318 119.186,325 1.287,326 19.877,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 36,338 131,339 4.714,340 5.162,341 6.775,342 4.109,343 3.242,344 4.503,345 3.52,346 11.205,347 2.795,348 3.873,349 2.96,350 5.368,351 3.468,352 2.473,353 3.43,354 0.57,355 7.008,356 2.458,357 3.798,358 2.508,359 5.174,360 3.311,361 2.324,362 3.365,364 6.469,365 2.269,366 2.897,367 1.98,368 3.728,369 2.457,370 1.463,371 2.063,373 3.113,374 1.453,375 2.865,376 1.485,377 3.566,378 2.402,379 1.403,380 2.018,382 3,383 1.402,384 2.5,385 1.324,386 3.247,387 2,388 1,389 1.5,391 2.136,392 1,393 2.5,394 1,395 3.247,396 2,397 1,398 1.5,400 2.136,401 1,402 1.216,403 1,404 3.223,405 0.925,411 1.178,412 0.192,413 2.74,414 0.764,415 -0.216,416 -0.284,418 -0.555,419 -0.209,420 1,421 -0.318,422 2,424 -1,425 -1.312,427 -2.347,428 -0.9,429 0.5,430 -0.407,431 1.78,433 -1,434 -1.439,436 -2.347,437 -0.92,438 0.5,439 -1,440 1.733,442 -1,443 -1.5,445 -2.487,446 -1,447 0.478,448 -1,449 1.555,450 -0.058,451 -1,452 -1.5,454 -2.589,455 -1,456 0.373,457 -1,458 1.555,459 -0.071,460 -1,461 -2,463 -3,464 -1,465 -0.5,466 -1.311,467 0.964,468 -0.828,469 -1.753,470 -2.163,472 -4.789,473 -1.636,474 8.5,475 0.5,476 0.429,477 0.025,478 24.5,479 1.441,480 15,481 0.882,482 9.5,483 0.559,484 9.716,485 0.572,486 17.9,487 0.577,488 15.134,489 0.89,490 4.821,491 0.284,492 3.335,493 0.196,494 0.078,495 0.098,496 0.118,501 0.324,502 1.027,503 0.874,504 1.146,505 0.627,506 0.927,507 0.617,508 1.206,509 1.311,510 1.324,511 0.617,512 1.139,513 1.374,514 1.021,515 1.009,516 0.94,517 1.408,518 1.098,519 0.847,520 1.111,521 1.176,522 1.2,523 0.762,524 0.97,525 2.049,526 1.027,527 1.356,528 1.119,529 1.961,530 0.946,531 1.843,532 0.831,533 1.022,534 0.824,535 1.79,536 0.868,537 0.92,538 0.813,539 0.714,540 0.701,541 0.923,542 0.967,543 0.101,544 0.957,545 0.594,546 0.822,547 0.116,548 1.05,549 4,551 1.111,552 1.25,553 0.782,554 0.375,555 0.281,556 0.007,557 0.032,558 0.023,559 2378,560 6598,561 2.014,562 45.2,564 14,572 1.568,573 1.907,574 2.962,575 -0.807,577 1,578 1,579 1,582 44.974,583 1.451,584 2.359,585 2.673,586 3.164,587 3.341,588 3.341,589 2.44,590 2.676,591 4.062,592 3.074,593 418.067,594 6.858,595 3813.07,596 1,597 1,599 1,600 153.58,601 1.322,602 4.017,603 0.222,605 0.046,606 0.063,607 0.041,608 0.021,609 0.02,610 0.001,611 0.004,612 0.006,613 0.423,614 0.67,615 1,616 0.604,617 70.764,618 0.184,619 0.007,620 0.252,621 -0.013,622 -0.136,623 0.049,624 0.211,625 -0.195,626 -0.205,627 -0.235,628 0.21,629 -0.181,630 -0.198,631 -0.062,632 -0.095,633 -0.011,634 -0.22,635 -0.166,636 0.081,637 -0.098,638 0.092,639 -0.058,640 0.151,641 0.05,642 -0.236,643 -0.026,644 -0.146,645 -0.051,646 -0.12,647 -0.016,648 -0.261,649 0.114,650 -0.132,651 0.056,652 -0.181,653 0.05,654 -0.149,655 0.094,656 -0.087,657 0.066,658 -0.148,659 -0.02,660 0.075,661 -0.055,662 0.005,663 -0.045,664 0.039,665 -0.056,666 4.004,667 4.969,668 0.706,669 10.062,670 0.997,671 1.105,672 3.168,673 10.038,674 0.706,675 2.944,676 3.219,677 3.296,678 3.526,679 3.611,680 3.367,681 3.367,682 3.367,683 3.045,684 3.045,685 4.679,686 0.655,687 246.35,688 2.944,689 4.443,690 5.22,691 6.075,692 6.868,693 7.73,694 8.529,695 9.393,696 10.195,697 11.061,715 10,720 2,722 12,741 31,743 14,744 2,745 18,747 32,748 14,749 12,750 2,751 10,756 2,757 2,772 12,773 2,777 2,780 1,782 2,790 1,793 14,794 2,796 3,797 1,808 1,809 2,829 2,859 2,862 1,868 17,871 1,876 2,893 6.5,896 2,901 8.917,902 5.333,903 3.75,904 1.694,907 2.054,908 1.356,909 0.985,910 3.601,911 7.819,912 3.296,913 3.892,914 4.197,915 4.747,916 5.175,917 4.921,918 5.154,919 5.455,920 5.03,921 5.433,922 1,923 20,924 6.45,926 2.862,927 0.026,929 7.926,931 12.054,933 9.951,936 2.426,937 41.25,938 0.002,941 164.795,942 108.979,945 44.313,947 6.046,948 102.933,949 209.108,952 1.799,953 100.808,954 44.313,955 6.371,957 164.795,959 164.795,960 102.933,961 44.313,962 6.046,964 164.795,965 44.313,968 1.799,969 101.134,970 6.046,972 164.795,973 44.313,974 108.979,976 6.046,977 164.795,978 8.171,979 94.762,981 44.313,982 164.795,983 44.313,984 108.979,986 0.568,987 0.292,988 0.162,989 0.086,990 11,991 4,992 0.125,993 4,995 1,996 2.995,997 109.65,999 12,1000 45.487,1004 1,1005 11.875,1006 5.155,1007 3.72,1009 44.313,1010 18.526,1015 1.673,1018 318.087,1019 26,1022 -3.088,1024 23.939,1031 30.916,1032 34.245,1034 0.293,1035 0.476,1036 0.539,1037 0.639,1038 0.674,1039 0.674,1040 4.477,1042 5.22,1043 2.136,1044 3.892,1045 4.575,1046 3.274,1047 5.989,1048 3.793,1049 5.709,1050 -0.216,1051 6.749,1053 3.611,1054 4.605,1056 7.195,1057 3.306,1058 7.047,1059 -1,1060 8.4,1061 -0.555,1062 5.517,1063 6.871,1064 5.731,1065 10.098,1066 5.233,1067 8.431,1068 -1,1069 10.129,1070 -2.347,1071 6.043,1072 7.698,1074 12.111,1075 5.483,1076 9.851,1077 -1,1078 11.909,1079 -2.347,1080 7.486,1081 9.5,1082 8.244,1083 14.654,1084 6.937,1085 11.299,1086 -1,1087 13.725,1088 -2.487,1089 8.369,1090 10.677,1092 16.936,1093 7.537,1094 12.766,1095 -1,1096 15.564,1097 -2.589,1098 9.636,1099 12.3,1100 10.761,1101 19.386,1102 8.769,1103 3.242,1104 -1.753,1105 17.421,1106 -3,1107 10.681,1108 13.643,1110 21.758,1111 9.553,1112 2.473,1113 11.205,1114 19.291,1115 -4.789,1116 11.882,1117 15.194,1118 13.277,1119 24.184,1120 10.674,1121 2.324,1122 7.008,1123 21.17,1124 4.503,1125 13,1126 16.618,1128 26.585,1129 11.558,1130 1.463,1131 6.469,1132 23.057,1133 3.43,1134 14.179,1135 18.138,1136 15.794,1137 29.004,1138 12.623,1139 1.403,1140 3.113,1141 24.949,1142 3.365,1143 15.329,1144 19.603,1146 31.415,1147 13.565,1148 1,1149 3,1150 26.846,1151 2.063,1152 16.503,1153 21.112,1154 18.311,1155 33.832,1156 14.603,1157 1,1158 2.136,1159 28.747,1160 2.018,1161 17.666,1162 22.596,1164 36.247,1165 15.577,1166 2394,1167 4082,1168 11.901,1169 21.887,1170 26.071,1171 28.385,1172 26.137,1173 25.961,1174 25.809,1175 36.757,1176 8.18,1177 70.133,1178 24.753,1179 5.573,1180 7.162,1181 6.577,1182 5.189,1183 5.242,1184 7.503,1185 7.04,1186 17.839,1187 4.795,1188 6.3,1189 1.448,1190 1.577,1191 1.452,1192 1.442,1193 1.434,1194 2.042,1195 0.454,1196 3.896,1197 1.375,1198 4.081,1199 4.064,1200 4.732,1201 4.089,1202 7.713,1203 3.99,1204 3.872,1205 3.903,1206 3.796,1207 3.819,1208 6.999,1209 3.809,1210 3.728,1211 3.711,1212 3.773,1213 3.69,1214 4.757,1215 3.614,1216 3.008,1217 3.077,1218 2.853,1219 2.898,1220 4.73,1221 2.879,1222 2.854,1223 2.925,1224 2.75,1225 2.735,1226 3.765,1227 2.715,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 2.817,1235 2.843,1236 2.687,1237 2.696,1238 3.674,1239 2.669,1240 2.344,1241 2.471,1242 2.01,1243 2.113,1244 3.674,1245 2.071,1246 0.262,1247 0.287,1248 0.376,1249 0.228,1250 0.18,1251 4.714,1252 0.25,1253 5.162,1254 0.196,1255 6.775,1256 0.623,1257 4.109,1258 0.155,1259 3.242,1260 4.503,1261 3.52,1262 11.205,1263 2.795,1264 1.99,1265 1.994,1266 2.049,1267 2.051,1268 1.35,1269 2.098,1270 1.887,1271 1.858,1272 2.017,1273 1.964,1274 1.11,1275 1.984,1276 1.622,1277 1.643,1278 1.558,1279 1.715,1280 0.897,1281 1.779,1282 1.039,1283 0.977,1284 1.33,1285 1.211,1286 0.53,1287 1.256,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 0.761,1301 0.739,1302 0.931,1303 0.947,1304 0.067,1305 0.977,1306 0.4,1307 0.28,1308 0.861,1309 0.69,1311 0.756,1312 3.611,1314 4.89,1316 6.358,1318 7.901,1320 9.48,1328 0.2,1340 20.304,1341 44.974,1342 73.142,1343 82.851,1344 98.07,1345 103.58,1346 103.58,1347 31.722,1348 5.765,1349 34.14,1350 42.52,1351 12,1352 11.621,1353 3.907,1354 3.17,1355 28.457,1356 46,1357 41,1358 0.3,1359 131.835,1360 224.49,1361 313.439,1362 1904,1364 12.14,1365 0.714,1366 0.602,1367 12.39,1368 10.229,1369 8.157,1370 0.453,1371 0.403,1372 5.572,1373 7.286,1374 5.241,1375 4.385,1376 9.01,1377 7.261,1378 7.581,1379 0.316,1380 0.253,1381 8.867,1382 6.068,1383 5.132,1384 0.197,1385 0.154,1386 5.973,1387 4.005,1388 4.429,1389 0.134,1390 0.097,1391 5.456,1392 3.21,1393 3.263,1394 0.091,1395 0.059,1396 4.077,1397 2.109,1398 0.462,1399 58.475,1400 0.29,1401 17.311,1402 0.844,1403 84,1404 244.331,1405 120.96,1406 261.843,1407 341.48,1408 238,1409 92,1410 213.382,1411 137.172,1412 251.235,1413 350.88,1414 232,1415 4}
{0 CHEMBL365136,1 1.431,2 22.739,3 7.694,4 59.201,5 180.976,6 6.857,7 0.367,8 4.587,9 4.699,10 4.072,11 4.077,12 5.646,13 4.05,14 5.148,15 5.331,16 4.377,17 4.445,18 6.156,19 4.394,20 5.354,21 5.546,22 4.494,23 4.618,24 6.342,25 4.541,26 5.484,27 5.703,28 4.48,29 4.65,30 6.462,31 4.557,32 5.513,33 5.734,34 4.398,35 4.661,36 6.455,37 4.55,38 5.514,39 5.756,40 4.32,41 4.653,42 6.391,43 4.509,44 5.518,45 5.787,46 4.279,47 4.59,48 6.368,49 4.441,50 5.404,51 5.651,52 4.241,53 4.519,54 6.292,55 4.386,56 0.015,57 1.214,58 20.778,59 9.17,60 13.38,61 11.948,62 0.601,63 1.91,64 39.495,65 14.484,66 53.797,67 19.48,68 0.543,69 2.299,70 48.274,71 18.749,72 57.493,73 25.247,74 0.624,75 2.518,76 56.187,77 20.403,78 85.369,79 27.991,80 0.805,81 2.561,82 58.437,83 20.731,84 91.052,85 28.306,86 0.605,87 2.592,88 57.767,89 21.59,90 80.1,91 30.323,92 0.882,93 2.51,94 59.355,95 21.116,96 93.508,97 30.104,98 0.636,99 2.278,100 52.238,101 19.005,102 74.572,103 26.695,104 68,105 65,106 0.212,107 0.505,108 0.739,109 0.832,110 0.858,111 0.871,112 3.852,113 0.969,114 -4.52,115 -4.45,116 -4.19,121 40.2,123 7,126 5,127 3,137 1,138 1,144 9,145 4,146 5,159 1,161 1,176 19,179 1,180 11,183 2,187 21,191 2,192 16,200 16,205 1,206 17,211 2,214 14,218 1,219 11,224 2,227 16,231 1,232 7,237 1,239 16,243 3,244 7,247 1,251 16,255 2,256 9,264 13,269 11,274 1,277 11,281 5576,282 31.411,283 31.411,284 31.411,285 31.411,286 31.411,287 28.848,288 36.652,289 18.845,290 32.335,291 23.963,292 23.963,293 23.963,294 23.963,295 23.963,296 19.63,297 40.614,298 8.684,299 25.071,300 5.092,301 3.122,302 1.544,303 0.916,304 0.74,305 0.65,306 4.546,312 1,313 2204,314 5.148,318 683.9,322 259.947,325 3.577,326 42.668,329 0.75,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.71,337 100,338 1046,339 4.493,340 3.66,341 6.64,342 4.15,343 3.143,344 4.143,345 2.186,346 10.572,347 3.172,348 4.406,349 3.66,350 6.522,351 4.001,352 3.049,353 4.055,354 0.916,355 10.251,356 2.895,357 4.105,358 3.366,359 5.776,360 3.723,361 2.761,362 3.688,363 0.86,364 7.996,365 2.661,366 3.961,367 2.984,368 5.681,369 3.549,370 2.572,371 3.402,372 0.86,373 7.971,374 2.511,375 3.672,376 2.955,377 5.326,378 3.38,379 2.451,380 2.94,381 0.86,382 6.842,383 2.261,384 3.608,385 2.632,386 5.29,387 3.234,388 2.272,389 2.886,390 0.86,391 6.815,392 2.178,393 3.378,394 2.555,395 5.19,396 3.123,397 2.167,398 2.604,399 0.366,400 6.12,401 2.056,402 3.355,403 2.542,404 5.145,405 2.972,406 2.061,407 2.549,408 0.172,409 6.118,410 1.932,411 3.318,412 2.479,413 4.862,414 2.969,415 1.989,416 2.515,418 5.594,419 1.867,420 3.09,421 2.172,422 4.661,423 2.835,424 1.846,425 2.175,427 4.814,428 1.82,429 3.028,430 2.114,431 4.585,432 2.733,433 1.746,434 2.15,436 4.778,437 1.735,438 2.826,439 1.892,440 3.858,441 2.72,442 1.727,443 1.834,445 3.681,446 1.691,447 2.658,448 1.851,449 3.808,450 2.362,451 1.39,452 1.725,454 2.902,455 1.345,456 2.524,457 1.573,458 3.611,459 2.179,460 1.187,461 1.46,463 2.607,464 1.175,465 2.396,466 1.472,467 3.52,468 2.012,469 1.15,470 1.335,472 2.466,473 0.998,474 21.633,475 0.47,476 0.916,477 0.02,478 53.75,479 1.168,480 25,481 0.543,482 28.75,483 0.625,484 48.176,485 1.047,486 52.167,487 0.567,488 47.394,489 1.03,490 10.83,491 0.235,492 11.511,493 0.25,494 0.146,496 0.296,501 0.808,502 1.391,503 0.86,504 1.272,505 0.611,506 1.102,507 1.082,508 0.884,509 0.938,510 0.883,511 0.652,512 0.876,513 0.893,514 1.115,515 0.941,516 1.108,517 0.78,518 1.046,519 1.03,520 1.077,521 0.981,522 1.062,523 1.122,524 1.02,525 1.246,526 1.004,527 1.148,528 1.015,529 1.144,530 1.06,531 0.79,532 1.111,533 1.038,534 1.132,535 0.802,536 1.129,537 0.73,538 0.872,539 0.889,540 0.916,541 0.727,542 0.929,543 0.828,544 1.025,545 0.964,546 1.044,547 0.803,548 1.032,549 9,550 0.248,551 4,552 3.313,553 2.604,554 1.312,555 0.971,556 0.684,557 0.509,558 0.296,559 49119,560 128207,561 2.018,562 50,563 10,564 31,567 1,569 4,572 1.822,573 1.89,574 4.394,575 -0.436,582 131.683,583 1.431,584 3.401,585 4.98,586 5.607,587 5.784,588 5.874,589 3.841,590 5.132,591 5.495,592 4.647,593 4809.83,594 9.681,595 109377,600 600.168,601 1.394,602 5.453,603 0.184,604 0.006,605 0.062,606 0.047,607 0.038,608 0.021,609 0.017,610 0.013,611 0.01,612 0.006,613 0.404,614 0.17,615 0.75,616 1.08,617 284.154,618 -0.008,619 -0.166,620 0.06,621 -0.107,622 -0.003,623 -0.026,624 -0.002,625 0.223,626 0.053,627 0.153,628 0.092,629 0.122,630 0.056,631 -0.06,632 0.025,633 -0.048,634 0.056,635 -0.021,636 -0.025,637 -0.064,638 0.004,639 -0.048,640 -0.007,641 -0.021,642 -0.153,643 0.002,644 -0.15,645 -0.014,646 -0.11,647 -0.073,648 -0.002,649 -0.116,650 -0.083,651 -0.118,652 -0.015,653 -0.115,654 0.096,655 0.081,656 0.083,657 0.059,658 0.074,659 0.067,660 0.035,661 -0.047,662 0.006,663 -0.045,664 0.052,665 -0.028,666 2.132,667 6.325,668 0.478,669 85.41,670 0.999,671 1.126,672 3.295,673 10.855,674 0.641,675 3.912,676 4.19,677 4.431,678 4.663,679 4.86,680 4.913,681 5.017,682 5.124,683 5.193,684 5.22,685 13.122,686 0.605,687 630.85,688 3.912,689 5.434,690 6.263,691 7.122,692 7.969,693 8.836,694 9.692,695 10.564,696 11.427,697 12.303,698 2.2,701 1,705 1,715 9,720 9,722 18,727 1,737 1,739 4,741 92,743 21,744 3,745 49,747 95,748 37,749 18,750 9,751 9,752 3,756 4,757 5,767 2,770 7,772 22,773 15,777 3,782 2,784 1,786 3,793 46,794 9,795 1,796 9,802 2,808 0.75,809 7,829 4,833 1,849 1,850 1,855 1,859 3,864 5,868 46,876 10,877 1,878 5,881 1,893 7.6,896 2,898 5,901 24.333,902 17.95,903 10.639,904 5.567,907 3.819,908 1.441,909 0.939,910 13.814,911 12.488,912 4.127,913 4.649,914 5.175,915 5.691,916 6.196,917 6.424,918 6.736,919 7.025,920 7.298,921 7.566,922 0.933,923 71,924 17.05,926 6.95,927 0.026,929 7.696,931 32.835,933 25.964,936 2.196,937 101,941 529.7,942 224.791,943 21.135,945 105.289,948 224.791,949 634.989,950 21.135,951 49.442,952 44.556,953 94.762,954 55.423,955 100.269,956 6.763,957 529.7,959 529.7,960 245.926,961 105.289,964 482.615,965 152.374,968 47.681,969 188.769,970 9.476,972 529.7,973 126.424,974 224.791,977 529.7,978 80.587,979 147.329,980 18.011,981 105.289,982 529.7,983 126.424,984 224.791,986 0.562,987 0.333,988 0.18,989 0.096,990 25,991 13,992 0.179,993 17,994 1,995 1.091,996 5.656,997 430.796,998 0.091,999 22,1000 246.084,1005 35.337,1006 17.983,1007 10.241,1009 126.424,1010 17.128,1015 6.684,1017 18.011,1018 880.915,1019 61,1024 24.77,1026 1.906,1028 0.326,1031 91.934,1032 103.597,1034 0.219,1035 0.521,1036 0.763,1037 0.86,1038 0.887,1039 0.9,1040 5.354,1041 2.061,1042 6.225,1043 6.12,1044 4.875,1045 5.338,1046 2.831,1047 6.995,1048 4.799,1049 6.528,1050 1.989,1051 7.757,1052 6.118,1053 4.369,1054 5.103,1055 1.847,1056 7.823,1057 4.273,1058 7.817,1059 1.846,1060 9.389,1061 5.594,1062 6.428,1063 7.454,1064 3.641,1065 10.91,1066 6.298,1067 9.142,1068 1.746,1069 11.08,1070 4.814,1071 6.746,1072 8.032,1073 3.603,1074 12.574,1075 6.6,1076 10.499,1077 1.727,1078 12.811,1079 4.778,1080 8.245,1081 9.867,1082 4.934,1083 15.184,1084 8.08,1085 11.88,1086 1.39,1087 14.569,1088 3.681,1089 8.967,1090 10.831,1091 5.291,1092 17.219,1093 8.794,1094 13.278,1095 1.187,1096 16.348,1097 2.902,1098 10.235,1099 12.449,1100 6.392,1101 19.661,1102 10.052,1103 3.143,1104 1.15,1105 18.145,1106 2.607,1107 11.161,1108 13.613,1109 6.93,1110 21.865,1111 10.976,1112 3.049,1113 10.572,1114 19.955,1115 2.466,1116 12.333,1117 15.125,1118 7.903,1119 24.246,1120 12.145,1121 2.761,1122 10.251,1123 21.777,1124 4.143,1125 13.36,1126 16.397,1127 8.539,1128 26.525,1129 13.173,1130 2.572,1131 7.996,1132 23.608,1133 4.055,1134 14.496,1135 17.856,1136 9.436,1137 28.883,1138 14.31,1139 2.451,1140 7.971,1141 25.448,1142 3.688,1143 15.572,1144 19.187,1145 10.13,1146 31.198,1147 15.39,1148 2.272,1149 6.842,1150 27.295,1151 3.402,1152 16.696,1153 20.619,1154 10.981,1155 33.548,1156 16.518,1157 2.167,1158 6.815,1159 29.148,1160 2.94,1161 17.797,1162 21.983,1163 11.71,1164 35.879,1165 17.624,1166 47410,1167 76838,1168 32.304,1169 58.944,1170 70.409,1171 73.717,1172 73.855,1173 70.008,1174 70.182,1175 87.049,1176 14.163,1177 193.497,1178 67.276,1179 5.457,1180 5.66,1181 6.53,1182 5.204,1183 5.143,1184 7.143,1185 3.889,1186 17.818,1187 5.172,1188 27.075,1189 1.437,1190 1.504,1191 1.507,1192 1.429,1193 1.432,1194 1.777,1195 0.289,1196 3.949,1197 1.373,1198 4.058,1199 4.075,1200 4.01,1201 3.988,1202 7.435,1203 3.99,1204 3.94,1205 3.97,1206 3.878,1207 3.858,1208 7.427,1209 3.858,1210 3.909,1211 3.917,1212 3.87,1213 3.826,1214 4.982,1215 3.834,1216 3.771,1217 3.83,1218 3.623,1219 3.644,1220 4.829,1221 3.628,1222 3.623,1223 3.68,1224 3.523,1225 3.467,1226 4.805,1227 3.473,1228 3.551,1229 3.594,1230 3.461,1231 3.394,1232 4.58,1233 3.39,1234 3.512,1235 3.572,1236 3.39,1237 3.217,1238 4.473,1239 3.258,1240 3.351,1241 3.428,1242 3.182,1243 3.154,1244 4.385,1245 3.151,1246 0.092,1247 0.075,1248 0.136,1249 0.085,1250 0.064,1251 4.493,1252 0.085,1253 3.66,1254 0.045,1255 6.64,1256 0.216,1257 4.15,1258 0.065,1259 3.143,1260 4.143,1261 2.186,1262 10.572,1263 3.172,1264 2.006,1265 1.99,1266 2.1,1267 2.089,1268 1.393,1269 2.091,1270 1.911,1271 1.885,1272 2.05,1273 2.027,1274 1.335,1275 2.034,1276 1.873,1277 1.864,1278 2.005,1279 1.984,1280 1.208,1281 1.977,1282 1.777,1283 1.717,1284 1.95,1285 1.934,1286 1.107,1287 1.955,1288 1.592,1289 1.541,1290 1.839,1291 1.807,1292 1.088,1293 1.817,1294 1.525,1295 1.478,1296 1.713,1297 1.731,1298 0.892,1299 1.719,1300 1.404,1301 1.335,1302 1.691,1303 1.682,1304 0.846,1305 1.691,1306 1.345,1307 1.264,1308 1.651,1309 1.573,1310 0.683,1311 1.604,1312 4.595,1314 5.883,1316 7.366,1318 8.946,1320 10.583,1322 8.381,1328 9.447,1329 2.461,1330 27.61,1333 2.287,1340 55.636,1341 131.683,1342 312.92,1343 458.115,1344 515.864,1345 532.129,1346 540.393,1347 113.04,1348 8.669,1349 95.56,1350 95.56,1351 24,1352 12.845,1353 4.459,1354 3.7,1355 92.693,1356 370,1357 356,1358 0.117,1359 342.547,1360 618.37,1361 827.575,1362 103181,1364 32.89,1365 0.715,1366 0.601,1367 32.89,1368 27.65,1369 22.342,1370 0.456,1371 0.323,1372 15.553,1373 21.301,1374 15.029,1375 12.613,1376 22.342,1377 15.828,1378 18.969,1379 0.292,1380 0.176,1381 18.969,1382 11.417,1383 15.735,1384 0.19,1385 0.097,1386 15.735,1387 8.023,1388 12.843,1389 0.122,1390 0.054,1391 12.843,1392 5.628,1393 10.139,1394 0.079,1395 0.03,1396 10.139,1397 3.878,1398 0.199,1399 141.53,1400 0.176,1401 42.134,1402 0.285,1403 228,1404 708.127,1405 252.172,1406 659.039,1407 887.66,1408 620,1409 262,1410 630.805,1411 285.983,1412 640.127,1413 927.6,1414 594,1415 5.306}
{0 CHEMBL365161,1 1.233,2 5.188,3 3.129,4 9.792,5 67.143,6 6.121,8 3.597,9 3.727,10 2.963,11 3.158,12 4.629,13 3.077,14 4.174,15 4.39,16 3.411,17 3.578,18 5.134,19 3.494,20 4.467,21 4.631,22 3.517,23 3.826,24 5.683,25 3.697,26 4.794,27 5.102,28 3.398,29 3.815,30 5.676,31 3.626,32 4.539,33 4.789,34 3.286,35 3.581,36 5.666,37 3.45,38 4.293,39 4.466,40 2.96,41 3.378,42 5.585,43 3.251,44 4.264,45 4.527,46 1.889,47 3.195,48 5.198,49 2.865,50 4.288,51 4.78,52 0.453,53 2.545,54 4.407,55 1.89,56 0.025,57 0.451,58 8.347,59 3.924,60 5.73,61 5.297,62 0.072,63 0.739,64 14.754,65 6.437,66 15.741,67 8.873,68 0.198,69 0.997,70 20.341,71 8.648,72 49.311,73 11.871,74 0.203,75 1.167,76 26.897,77 10.244,78 50.474,79 14.775,80 0.262,81 0.888,82 21.819,83 7.562,84 61.254,85 10.54,86 0.311,87 0.695,88 17.813,89 5.784,90 76.364,91 7.753,92 0.186,93 0.671,94 16.048,95 5.869,96 47.138,97 8.416,98 0.157,99 0.527,100 14.667,101 4.86,102 33.544,103 7.861,104 69,105 26,106 0.232,107 0.436,108 0.467,109 0.499,110 0.53,111 0.624,112 2.855,113 1.043,114 -4.06,115 -4,116 -3.79,121 38.9,122 6,125 2,137 2,138 2,158 2,176 11,180 2,187 17,191 1,192 5,200 12,206 7,214 8,219 7,227 9,232 3,239 9,281 220,282 9.082,283 9.082,284 9.082,285 9.082,286 9.082,287 8.56,288 12.586,289 4.843,290 9.028,291 7.844,292 7.844,293 7.844,294 7.844,295 7.844,296 6.777,297 13.793,298 2.278,299 7.727,300 3.937,301 2.849,302 2.682,303 2.516,304 2.349,305 1.849,306 3.449,311 1,312 1,313 156,314 3.742,318 55.01,325 0.711,326 19.089,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 34,338 83,339 4.651,340 3.92,341 7.295,342 4.454,343 3.447,344 4.019,346 12.409,347 3.471,348 4.328,349 3.502,350 7.085,351 4.247,352 3.246,353 3.453,355 11.569,356 3.249,357 3.862,358 3.375,359 5.943,360 3.638,361 2.593,362 3.035,364 8.088,365 2.699,366 3,367 2.755,368 4.667,369 2.592,370 1.579,371 2,373 4.743,374 1.597,375 3,376 1.737,377 4.642,378 2.567,379 1.527,380 2,382 4.558,383 1.581,384 2.099,385 1.089,386 3.286,387 1.332,388 0.228,389 0.386,391 0.563,392 0.25,393 0.857,394 0.233,395 2.825,396 0.551,397 -0.491,398 -0.611,400 -1.395,401 -0.507,402 0.198,403 -0.704,404 2.559,406 -1,407 -1,409 -3,410 -1,411 0.11,412 -0.743,413 2,415 -1,416 -1,418 -3,419 -1,421 -1,422 2,424 -1,425 -1,427 -3,428 -1,430 -1,431 2,433 -1,434 -1,436 -3,437 -1,439 -1,440 2,441 -0.098,442 -1.134,443 -1.342,445 -3.557,446 -1.175,448 -1,449 2,450 -0.273,451 -1.37,452 -1.903,454 -3.836,455 -1.507,456 -0.532,457 -1.412,458 1.364,459 -0.738,460 -1.753,461 -2,463 -6.423,464 -1.784,465 -0.714,466 -1.592,467 1.286,468 -0.872,469 -1.872,470 -2.318,472 -7.004,473 -1.873,474 7.667,475 0.479,476 0.968,477 0.061,478 14.5,479 0.906,480 6,481 0.375,482 8.5,483 0.531,484 17.878,485 1.117,486 18.733,487 0.52,488 9.708,489 0.607,490 2.284,491 0.143,492 4.747,493 0.297,494 0.478,495 0.13,496 0.261,501 0.499,502 1.25,503 0.991,504 1.248,505 0.588,506 1.187,507 0.485,508 0.807,509 0.601,510 0.793,511 0.459,512 0.721,513 0.652,514 1.551,515 1.285,516 1.555,517 0.673,518 1.503,519 0.61,520 0.877,521 0.721,522 0.868,523 0.642,524 0.815,525 1.617,526 0.969,527 1.069,528 0.954,529 1.581,530 0.946,531 2.888,532 1.245,533 1.857,534 1.256,535 2.802,536 1.41,537 1.345,538 1.532,539 1.728,540 1.567,541 1.371,542 1.678,549 7,551 3.111,552 1.875,553 1.502,554 1.042,559 1326,560 3038,561 1.707,562 55.6,563 18,564 2,572 1.562,573 1.477,574 2.434,575 -0.856,577 1,578 1,579 1,582 44.376,583 1.233,584 2.321,585 2.487,586 2.654,587 2.821,588 3.321,589 1.546,590 2.906,591 3.977,592 2.539,593 304.681,594 6.743,595 2683.8,597 1,599 1,600 186.117,601 1.75,602 3.781,603 0.438,605 0.12,606 0.075,607 0.068,608 0.055,613 0.755,614 1,615 1,616 1.125,617 62.246,622 -0.077,624 0.089,625 0.302,626 0.364,627 0.32,628 0.12,629 0.368,630 0.138,631 -0.4,632 -0.289,633 -0.409,634 0.124,635 -0.401,636 0.088,637 0.045,638 0.201,639 0.065,640 0.047,641 0.136,642 -0.12,643 -0.017,644 -0.029,645 -0.014,646 -0.085,647 -0.011,648 -0.529,649 -0.234,650 -0.692,651 -0.284,652 -0.417,653 -0.479,654 -0.276,655 -0.588,656 -0.767,657 -0.626,658 -0.296,659 -0.739,660 0.254,661 0.634,662 0.781,663 0.671,664 0.223,665 0.775,666 2.058,667 4.782,668 0.375,669 8.5,670 0.986,671 1.127,672 2.826,673 7.986,674 0.626,675 2.833,676 3.296,677 3.367,678 3.497,679 3.714,680 3.664,681 3.296,682 2.565,685 3.656,686 0.575,687 220.34,688 2.833,689 4.443,690 5.263,691 6.192,692 7.05,693 7.97,694 8.841,695 9.755,696 10.631,697 11.542,741 36,743 4,745 16,747 36,748 14,752 6,756 1,757 1,763 6,764 2,772 6,773 8,777 4,782 2,784 2,786 4,790 1,793 20,794 2,796 2,808 1,809 2,829 1,841 2,849 2,850 2,859 1,864 6,868 16,882 2,893 5.6,896 2,901 10.833,902 8.5,903 3.222,904 2.167,907 0.944,908 1.173,909 0.851,910 2.977,911 6.404,912 3.045,913 3.611,914 4.043,915 4.344,916 4.787,917 4.875,918 4.691,919 3.761,922 0.5,923 25,924 5.971,926 2.495,927 0.026,929 7.948,931 11.3,933 9.157,936 2.448,937 39.167,938 0.003,941 235.422,942 88.542,945 50.29,948 88.542,949 285.712,951 52.951,953 18.952,954 60.557,955 6.371,957 235.422,959 235.422,960 88.542,961 50.29,964 235.422,965 50.29,968 52.951,969 16.638,970 18.952,972 235.422,973 50.29,974 88.542,977 235.422,978 16.638,979 71.904,981 50.29,982 235.422,983 50.29,984 88.542,986 0.637,987 0.327,988 0.14,989 0.087,990 13,991 8,992 0.056,993 2,995 1,996 2.443,997 105.742,999 6,1000 54.49,1005 12.899,1006 3.693,1007 2.706,1009 50.29,1018 374.254,1019 20,1024 23.424,1026 3.349,1028 0.796,1031 35.491,1032 40.571,1034 0.238,1035 0.449,1036 0.481,1037 0.513,1038 0.546,1039 0.642,1040 4.394,1041 -1,1042 5.451,1043 -1.395,1044 3.97,1045 4.29,1047 6.418,1048 4,1049 5.714,1050 -1,1051 7.152,1052 -3,1053 4.29,1054 4.575,1056 7.976,1057 4.323,1058 7.111,1059 -1,1060 8.968,1061 -3,1062 5.878,1063 6.463,1065 10.919,1066 5.922,1067 8.533,1068 -1,1069 10.842,1070 -3,1071 6.804,1072 7.366,1074 13.088,1075 6.849,1076 9.978,1077 -1.134,1078 12.748,1079 -3,1080 8.11,1081 8.923,1083 15.726,1084 8.162,1085 11.439,1086 -1.37,1087 14.674,1088 -3.557,1089 9.224,1090 10.075,1092 18.099,1093 9.278,1094 12.912,1095 -1.753,1096 16.612,1097 -3.836,1098 10.46,1099 11.516,1101 20.643,1102 10.517,1103 3.447,1104 -1.872,1105 18.559,1106 -6.423,1107 11.636,1108 12.781,1110 23.092,1111 11.697,1112 3.246,1113 12.409,1114 20.513,1115 -7.004,1116 12.854,1117 14.178,1119 25.605,1120 12.919,1121 2.593,1122 11.569,1123 22.471,1124 4.019,1125 14.055,1126 15.499,1128 28.084,1129 14.123,1130 1.579,1131 8.088,1132 24.433,1133 3.453,1134 15.27,1135 16.881,1137 30.587,1138 15.342,1139 1.527,1140 4.743,1141 26.398,1142 3.035,1143 16.481,1144 18.23,1146 33.078,1147 16.557,1148 0.228,1149 4.558,1150 28.365,1151 2,1152 17.697,1153 19.609,1155 35.579,1156 17.779,1157 -0.491,1158 0.563,1159 30.334,1160 2,1161 18.913,1162 20.974,1164 38.077,1165 19,1166 1560,1167 2448,1168 8.553,1169 22.523,1170 26.879,1171 28.136,1172 26.835,1173 25.359,1174 25.241,1175 29.787,1177 83.862,1178 25.693,1179 5.511,1180 5.92,1181 6.247,1182 5.454,1183 5.447,1184 6.738,1186 20.124,1187 5.471,1188 12.242,1189 1.68,1190 1.759,1191 1.677,1192 1.585,1193 1.578,1194 1.862,1196 5.241,1197 1.606,1198 3.99,1199 4.01,1200 3.938,1201 3.915,1202 7.497,1203 3.916,1204 3.693,1205 3.751,1206 3.554,1207 3.591,1208 7.352,1209 3.574,1210 3.499,1211 3.537,1212 3.379,1213 3.334,1214 4.544,1215 3.336,1216 2.914,1217 3.009,1218 2.81,1219 2.725,1220 4.29,1221 2.741,1222 2.874,1223 3.009,1224 2.769,1225 2.664,1226 3.971,1227 2.683,1228 2.874,1229 3.009,1230 2.499,1231 2.618,1232 3.467,1233 2.57,1234 2.874,1235 3.009,1236 2.499,1237 2.618,1238 3.467,1239 2.57,1240 2.874,1241 2.935,1242 2.499,1243 2.618,1244 3.467,1245 2.57,1246 0.291,1247 0.245,1248 0.456,1249 0.278,1250 0.215,1251 4.651,1252 0.251,1253 3.92,1255 7.295,1256 0.776,1257 4.454,1258 0.217,1259 3.447,1260 4.019,1262 12.409,1263 3.471,1264 1.953,1265 1.933,1266 2.084,1267 2.052,1268 1.309,1269 2.06,1270 1.718,1271 1.663,1272 1.961,1273 1.865,1274 1.178,1275 1.901,1276 1.464,1277 1.422,1278 1.669,1279 1.661,1280 0.731,1281 1.663,1282 0.934,1283 0.814,1284 1.417,1285 1.239,1286 0.469,1287 1.308,1288 0.934,1289 0.804,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.934,1295 0.804,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.934,1301 0.804,1302 1.417,1303 1.239,1304 0.469,1305 1.308,1306 0.844,1307 0.804,1308 1.066,1309 1.067,1310 0.134,1311 1.054,1312 3.497,1314 4.92,1316 6.506,1318 8.164,1320 9.863,1322 11.983,1334 -0.385,1340 20.698,1341 44.376,1342 83.549,1343 89.549,1344 95.549,1345 101.549,1346 119.549,1347 50.02,1348 5.46,1349 34.14,1350 34.14,1351 6,1352 12.063,1353 2.322,1354 2.322,1355 34.097,1356 36,1357 24,1358 0.532,1359 133.953,1360 245.42,1361 318.605,1362 986,1364 12.724,1365 0.795,1366 0.686,1367 12.724,1368 10.971,1369 7.032,1370 0.439,1371 0.348,1372 5.535,1373 6.901,1374 5.033,1375 4.378,1376 7.032,1377 5.563,1378 8.343,1379 0.321,1380 0.244,1381 8.343,1382 6.351,1383 5.064,1384 0.181,1385 0.097,1386 5.064,1387 2.729,1388 3.527,1389 0.11,1390 0.05,1391 3.527,1392 1.592,1393 2.861,1394 0.072,1395 0.028,1396 2.861,1397 1.126,1398 0.761,1399 43.345,1400 0.342,1401 15.408,1402 1.691,1403 84,1404 215.471,1405 88.207,1406 211.692,1407 275,1408 192,1409 96,1410 191.273,1411 100.429,1412 202.644,1413 289.11,1414 184,1415 4}
{0 CHEMBL365392,1 1.573,2 7.111,3 4.449,4 19.792,5 71.682,6 10.735,7 0.632,8 3.358,9 3.414,10 3.228,11 3.11,12 4.656,13 3.078,14 3.794,15 3.866,16 3.624,17 3.461,18 5.129,19 3.416,20 4.06,21 4.173,22 3.818,23 3.556,24 5.59,25 3.499,26 3.99,27 4.082,28 3.779,29 3.362,30 5.661,31 3.337,32 3.785,33 3.86,34 3.544,35 3.12,36 5.542,37 3.135,38 3.573,39 3.66,40 3.295,41 3.078,42 5.04,43 3.023,44 3.544,45 3.664,46 3.448,47 3.102,48 4.873,49 2.958,50 3.368,51 3.572,52 2.573,53 2.726,54 4.397,55 2.509,56 0.06,57 0.244,58 1.386,59 1.718,60 9.947,61 2.014,62 0.111,63 0.386,64 2.637,65 2.886,66 18.62,67 3.327,68 0.318,69 0.523,70 10.765,71 4.719,72 59.268,73 5.375,74 0.439,75 0.464,76 14.364,77 4.588,78 64.293,79 4.374,80 0.442,81 0.382,82 10.094,83 3.573,84 71.998,85 2.742,86 0.229,87 0.316,88 4.068,89 2.662,90 43.451,91 2.251,92 0.222,93 0.296,94 11.1,95 2.974,96 27.478,97 3.19,98 0.161,99 0.275,100 10.973,101 2.982,102 18.621,103 3.707,104 17,105 26,106 0.307,107 0.481,108 0.571,109 0.691,110 0.721,111 0.721,112 2.961,113 0.939,114 -5.16,115 -5.06,116 -4.73,121 53.8,144 8,145 2,146 2,159 2,176 8,180 2,187 12,191 1,192 4,200 9,206 8,214 4,219 8,227 7,232 2,239 8,251 11,264 6,277 1,281 344,282 11.88,283 11.88,284 11.88,285 11.88,286 11.88,287 10.152,288 4.95,289 7.012,290 12.054,291 9.303,292 9.303,293 9.303,294 9.303,295 9.303,296 6.738,297 2.905,298 3.262,299 9.658,300 3.127,301 2.231,302 1.769,303 1.154,304 1,305 1,306 3.609,308 2,311 1,312 1,313 264,314 2.828,318 121.571,325 1.012,326 27.195,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 38.667,338 128,339 4.486,340 3.869,341 6.717,342 4.148,343 3.14,344 4.078,346 10.694,347 3.163,348 4.173,349 3.219,350 6.223,351 3.732,352 2.783,353 3.802,355 9.057,356 2.62,357 3.59,358 2.928,359 5.311,360 3.121,361 2.158,362 2.943,364 6.111,365 2.025,366 2.99,367 2.67,368 4.451,369 2.532,370 1.538,371 2.16,373 4.061,374 1.522,375 2.862,376 1.673,377 3.913,378 2.353,379 1.414,380 2.018,382 3.099,383 1.262,384 2.854,385 1.671,386 3.618,387 2.344,388 1.414,389 1.997,391 2.989,392 1.236,393 2.591,394 1.315,395 3.579,396 2.092,397 1.076,398 1.595,400 2.664,401 1.088,402 2.238,403 1.315,404 3.169,405 1.598,406 0.519,407 0.823,409 1.174,410 0.539,411 1.093,412 0.424,413 2.32,414 0.59,415 -0.249,416 -0.309,418 -0.537,419 -0.162,420 1.092,421 0.399,422 2,423 0.567,424 -0.316,425 -0.429,427 -0.667,428 -0.22,429 0.635,430 -0.247,431 2,432 0.14,433 -0.848,434 -1.208,436 -2.015,437 -0.823,438 0.629,439 -0.66,440 1.794,441 0.14,442 -0.851,443 -1.255,445 -2.015,446 -0.839,447 0.184,448 -0.923,449 1.577,450 -0.247,451 -1.347,452 -1.889,454 -3.459,455 -1.141,456 -0.102,457 -1.148,458 1.382,459 -0.6,460 -1.414,461 -1.889,463 -3.459,464 -1.141,465 -0.111,466 -1.155,467 1.22,468 -0.652,469 -1.414,470 -2,472 -3.502,473 -1.488,474 9.095,475 0.505,476 0.477,477 0.026,478 25.5,479 1.417,480 15,481 0.833,482 10.5,483 0.583,484 11.092,485 0.616,486 17.905,487 0.689,488 17.348,489 0.964,490 5.261,491 0.292,492 3.348,493 0.186,494 0.23,496 0.33,501 0.488,502 0.852,503 0.472,504 0.677,505 0.535,506 0.697,507 0.628,508 1.095,509 0.607,510 0.87,511 0.665,512 0.896,513 0.854,514 1.053,515 0.894,516 0.941,517 0.784,518 0.9,519 1.373,520 1.067,521 1.262,522 1.225,523 1.419,524 1.016,525 1.743,526 0.843,527 1.062,528 0.98,529 2.058,530 0.846,531 1.533,532 0.917,533 0.909,534 0.709,535 1.711,536 0.89,537 0.901,538 1.054,539 1.275,540 1.07,541 0.701,542 1.224,543 0.748,544 1.136,545 1.636,546 1.456,547 0.404,548 1.539,549 3,551 2.667,552 1.75,553 1.084,554 0.528,555 0.286,556 0.094,557 0.073,559 2447,560 9939,561 1.963,562 30.8,564 8,572 1.591,573 1.8,574 2.859,575 -0.763,582 40.908,583 1.573,584 2.47,585 2.931,586 3.547,587 3.7,588 3.7,589 2.197,590 2.948,591 4.147,592 2.933,593 448.759,594 7.056,595 4198.48,597 1,599 1,600 122.211,601 1.53,602 4.076,603 0.158,605 0.103,606 0.063,607 0.045,608 0.026,609 0.018,610 0.007,611 0.012,613 0.432,614 0.83,615 1,616 0.714,617 75.147,618 0.002,619 0.031,620 0.001,621 0.017,622 -0.051,623 0.019,624 -0.013,625 -0.2,626 -0.005,627 -0.11,628 -0.053,629 -0.12,630 0.077,631 -0.101,632 0.034,633 0.002,634 0.155,635 0.046,636 -0.019,637 -0.104,638 -0.106,639 -0.219,640 -0.004,641 -0.093,642 -0.14,643 0.158,644 -0.106,646 -0.182,647 -0.003,648 -0.372,649 0.05,650 -0.109,651 0.202,652 -0.392,653 -0.049,654 -0.034,655 -0.142,656 0.035,657 -0.059,658 -0.08,659 -0.221,660 -0.074,661 -0.159,662 -0.31,663 -0.329,664 -0.011,665 -0.296,666 2.325,667 5.026,668 0.667,669 10.123,670 1.028,671 1.092,672 3.934,673 15.475,674 0.786,675 2.996,676 3.296,677 3.555,678 3.714,679 3.807,680 3.611,681 3.584,682 3.497,683 3.367,684 3.219,685 4.381,686 0.758,687 279.12,688 2.996,689 4.511,690 5.352,691 6.213,692 7.069,693 7.934,694 8.796,695 9.662,696 10.526,697 11.393,715 8,720 4,722 12,727 2,740 2,741 26,743 14,744 2,745 19,747 27,748 14,749 12,750 4,751 8,752 2,756 2,757 2,758 2,772 14,777 2,782 2,786 2,790 1,793 8,794 2,796 4,797 2,808 1,809 2,829 2,859 2,865 2,868 18,892 2,893 7.7,896 2,901 10,902 4.786,903 4.056,904 1.467,907 2.195,908 1.37,909 0.97,910 3.801,911 8.135,912 3.332,913 3.912,914 4.494,915 4.961,916 5.385,917 5.293,918 5.499,919 5.633,920 5.719,921 5.901,922 0.8,923 28,924 6.653,926 2.874,927 0.026,929 8.179,931 12.047,933 9.54,936 2.679,937 48.222,941 94.169,942 99.449,944 78.297,945 50.29,948 99.449,949 222.756,953 75.81,954 60.557,955 13.372,957 94.169,958 78.297,959 94.169,960 99.449,961 50.29,962 78.297,964 94.169,965 50.29,969 99.449,970 78.297,972 94.169,973 50.29,974 177.747,977 94.169,978 23.639,979 75.81,981 128.587,982 94.169,983 50.29,984 177.747,986 0.581,987 0.356,988 0.184,989 0.088,990 12,991 6,992 0.111,993 3,995 1,996 2.928,997 124.99,999 12,1000 57.059,1005 12.811,1006 5.34,1007 2.632,1009 50.29,1010 12.846,1015 0.874,1018 322.205,1019 27,1024 24.051,1028 -1.317,1031 26.72,1032 28.383,1034 0.335,1035 0.525,1036 0.624,1037 0.755,1038 0.787,1039 0.787,1040 4.533,1041 0.519,1042 5.342,1043 2.664,1044 3.97,1045 4.595,1047 6.159,1048 3.908,1049 5.751,1050 -0.249,1051 6.921,1052 1.174,1053 3.611,1054 4.369,1056 7.13,1057 3.472,1058 7.059,1059 -0.316,1060 8.609,1061 -0.537,1062 5.565,1063 6.779,1065 10.251,1066 5.482,1067 8.407,1068 -0.848,1069 10.361,1070 -0.667,1071 6.043,1072 7.371,1074 12.037,1075 5.924,1076 9.788,1077 -0.851,1078 12.152,1079 -2.015,1080 7.485,1081 9.248,1083 14.685,1084 7.4,1085 11.193,1086 -1.347,1087 13.969,1088 -2.015,1089 8.33,1090 10.221,1092 16.783,1093 8.234,1094 12.617,1095 -1.414,1096 15.804,1097 -3.459,1098 9.575,1099 11.862,1101 19.26,1102 9.501,1103 3.14,1104 -1.414,1105 17.651,1106 -3.459,1107 10.578,1108 13.026,1110 21.493,1111 10.508,1112 2.783,1113 10.694,1114 19.508,1115 -3.502,1116 11.748,1117 14.55,1119 23.902,1120 11.694,1121 2.158,1122 9.057,1123 21.371,1124 4.078,1125 12.82,1126 15.814,1128 26.198,1129 12.776,1130 1.538,1131 6.111,1132 23.24,1133 3.802,1134 13.962,1135 17.277,1137 28.578,1138 13.933,1139 1.414,1140 4.061,1141 25.113,1142 2.943,1143 15.066,1144 18.596,1146 30.906,1147 15.05,1148 1.414,1149 3.099,1150 26.99,1151 2.16,1152 16.199,1153 20.026,1155 33.276,1156 16.197,1157 1.076,1158 2.989,1159 28.869,1160 2.018,1161 17.317,1162 21.376,1164 35.621,1165 17.33,1166 2523,1167 5168,1168 12.137,1169 20.432,1170 28.832,1171 30.663,1172 30.174,1173 28.514,1174 28.085,1175 38.835,1177 79.699,1178 26.91,1179 5.316,1180 5.869,1181 6.402,1182 5.148,1183 5.14,1184 7.078,1186 18.166,1187 5.163,1188 9.434,1189 1.517,1190 1.614,1191 1.588,1192 1.501,1193 1.478,1194 2.044,1196 4.195,1197 1.416,1198 3.982,1199 3.991,1200 4.067,1201 3.923,1202 7.497,1203 3.922,1204 3.857,1205 3.878,1206 3.97,1207 3.813,1208 7.352,1209 3.803,1210 3.393,1211 3.389,1212 3.429,1213 3.221,1214 4.925,1215 3.25,1216 2.892,1217 2.922,1218 3.291,1219 2.813,1220 4.901,1221 2.79,1222 2.879,1223 2.922,1224 3.264,1225 2.797,1226 4.34,1227 2.769,1228 2.868,1229 2.907,1230 2.779,1231 2.747,1232 4.335,1233 2.739,1234 2.567,1235 2.594,1236 2.532,1237 2.396,1238 3.637,1239 2.399,1240 2.268,1241 2.224,1242 2.389,1243 1.832,1244 3.585,1245 1.919,1246 0.236,1247 0.204,1248 0.354,1249 0.218,1250 0.165,1251 4.486,1252 0.215,1253 3.869,1255 6.717,1256 0.563,1257 4.148,1258 0.166,1259 3.14,1260 4.078,1262 10.694,1263 3.163,1264 1.937,1265 1.926,1266 2.008,1267 2.013,1268 1.106,1269 2.016,1270 1.855,1271 1.835,1272 1.951,1273 1.922,1274 1.042,1275 1.94,1276 1.293,1277 1.292,1278 1.381,1279 1.494,1280 0.372,1281 1.453,1282 0.873,1283 0.825,1284 1.133,1285 1.04,1286 0.19,1287 1.075,1288 0.868,1289 0.824,1290 1.098,1291 1.018,1292 0.163,1293 1.061,1294 0.844,1295 0.819,1296 0.966,1297 0.977,1298 0.099,1299 0.991,1300 0.484,1301 0.461,1302 0.677,1303 0.704,1305 0.715,1308 0.306,1309 0.439,1311 0.34,1312 3.664,1314 4.963,1316 6.479,1318 8.085,1320 9.734,1323 11.769,1340 19.719,1341 40.908,1342 64.211,1343 76.211,1344 92.211,1345 96.211,1346 96.211,1347 41.182,1348 5.94,1349 34.14,1350 34.14,1351 12,1352 11.939,1353 3.907,1354 3.17,1355 30.816,1356 47,1357 38,1358 0.335,1359 131.515,1360 231.12,1361 312.658,1362 2279,1363 7.7,1364 13.121,1365 0.729,1366 0.595,1367 14.121,1368 10.703,1369 8.609,1370 0.453,1371 0.313,1372 5.223,1373 7.898,1374 5.04,1375 4.163,1376 9.186,1377 5.947,1378 7.569,1379 0.291,1380 0.17,1381 8.311,1382 4.432,1383 6.536,1384 0.192,1385 0.091,1386 7.253,1387 3.102,1388 5.032,1389 0.126,1390 0.049,1391 5.706,1392 1.978,1393 3.588,1394 0.082,1395 0.027,1396 4.025,1397 1.178,1398 0.5,1399 59.16,1400 0.287,1401 17.775,1402 0.99,1403 90,1404 317.878,1405 125.246,1406 368.255,1407 466.7,1408 338,1409 105,1410 278.998,1411 133.182,1412 304.278,1413 445.26,1414 286,1415 4}
{0 CHEMBL365445,1 1.685,2 5.714,3 3.027,4 9.162,5 59.741,6 11.115,7 0.667,8 3.118,9 3.15,10 3.172,11 2.985,12 4.392,13 2.877,14 3.533,15 3.574,16 3.516,17 3.324,18 4.828,19 3.188,20 3.614,21 3.707,22 3.378,23 3.078,24 5.222,25 2.976,26 3.398,27 3.447,28 3.339,29 2.859,30 5.092,31 2.86,32 3.324,33 3.385,34 3.218,35 2.842,36 4.92,37 2.731,38 3.09,39 3.178,40 2.838,41 2.761,42 4.304,43 2.542,44 2.861,45 3.023,46 1.884,47 2.37,48 3.722,49 2.131,50 2.492,51 2.803,52 0.531,53 1.532,54 3.045,55 1.219,56 0.035,57 0.178,58 1.007,59 1.453,60 6.264,61 1.591,62 0.068,63 0.308,64 4.52,65 2.945,66 12.604,67 2.752,68 0.221,69 0.415,70 11.336,71 4.538,72 42.711,73 3.701,74 0.154,75 0.29,76 4.371,77 2.662,78 23.171,79 1.9,80 0.195,81 0.282,82 5.883,83 2.833,84 38.382,85 1.55,86 0.126,87 0.241,88 5.223,89 2.556,90 24.902,91 1.832,92 0.041,93 0.202,94 7.104,95 2.405,96 3.609,97 2.248,98 0.041,99 0.15,100 3.333,101 1.411,102 6.03,103 1.957,104 5,105 20,106 0.351,107 0.55,108 0.649,109 0.691,110 0.691,111 0.691,112 2.733,113 1.142,114 -2.78,115 -2.79,116 -2.71,121 50,144 4,153 2,154 2,159 2,176 2,187 4,191 1,192 4,206 6,219 2,227 4,239 4,251 1,281 172,282 9.466,283 9.466,284 9.466,285 9.466,286 9.466,287 8.103,288 1.747,289 5.695,290 9.82,291 7.369,292 7.369,293 7.369,294 7.369,295 7.369,296 5.293,297 0.589,298 2.673,299 7.902,300 2.636,301 1.675,302 1.2,303 1,304 1,305 1,306 3.367,311 1,312 1,313 168,314 2.646,317 79.649,325 0.898,326 18.287,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 30,338 80,339 4.389,340 3.837,341 6.527,342 4.039,343 3.042,344 3.928,346 10.025,347 3.033,348 3.941,349 2.987,350 5.707,351 3.436,352 2.521,353 3.52,355 7.59,356 2.291,357 3.365,358 2.205,359 4.617,360 2.81,361 1.858,362 2.698,364 4.624,365 1.738,366 2.784,367 2.148,368 3.696,369 2.268,370 1.284,371 1.837,373 2.828,374 1.245,375 2.305,376 1.038,377 3.228,378 1.749,379 0.792,380 1.167,382 1.863,383 0.738,384 2.118,385 1.032,386 3,387 1.468,388 0.618,389 0.927,391 1.372,392 0.508,393 2.118,394 0.618,395 3,396 1.461,397 0.618,398 0.927,400 1.372,401 0.506,402 2.055,403 0.618,404 2.735,405 1.344,406 0.272,407 0.467,409 0.608,410 0.283,411 0.365,412 -0.256,413 2,414 -0.115,415 -1.194,416 -1.659,418 -2.744,419 -1.207,420 0.181,421 -0.98,422 1.458,423 -0.225,424 -1.231,425 -1.706,427 -2.828,428 -1.207,429 -0.084,430 -1.425,431 1.226,432 -0.506,433 -1.497,434 -2,436 -3.633,437 -1.312,438 -0.118,439 -1.618,440 1,441 -0.718,442 -1.618,443 -2.427,445 -4.372,446 -1.316,447 -0.118,448 -1.618,449 1,450 -0.752,451 -1.618,452 -2.427,454 -4.372,455 -1.557,456 -0.461,457 -1.787,458 0.404,459 -0.972,460 -1.846,461 -2.618,463 -5.198,464 -1.804,465 -0.841,466 -2,467 0.403,468 -1.087,469 -2,470 -2.633,472 -7.135,473 -1.938,474 7.333,475 0.524,476 0.298,477 0.021,478 19,479 1.357,480 11,481 0.786,482 8,483 0.571,484 8.313,485 0.594,486 13.667,487 0.683,488 10.432,489 0.745,490 3.625,491 0.259,492 3.163,493 0.226,494 0.091,496 0.273,501 0.495,502 0.684,503 0.692,504 0.663,505 0.509,506 0.664,507 0.672,508 0.978,509 1.078,510 1.024,511 0.659,512 0.94,513 0.797,514 1.27,515 1.166,516 1.356,517 0.847,518 1.116,519 1.702,520 1.043,521 0.612,522 0.912,523 1.812,524 0.704,525 2.27,526 0.719,527 0.753,528 0.554,529 2.247,530 0.796,531 1.359,532 0.868,533 1.586,534 1.098,535 1.261,536 1.16,537 0.236,538 1.535,539 1.744,540 1.7,541 0.107,542 1.788,543 0.091,544 1.11,545 0.495,546 0.779,547 0.113,548 1.418,549 2,551 1.778,552 0.806,553 0.64,554 0.222,555 0.059,559 1301,560 5005,561 2.034,562 30,564 4,565 2,572 1.51,573 1.909,574 2.634,575 -0.696,579 1,582 33.71,583 1.685,584 2.646,585 3.122,586 3.322,587 3.322,588 3.322,589 1.95,590 2.236,591 3.784,592 2.683,593 244.148,594 6.309,595 1911.6,597 1,600 86.439,601 1.379,602 3.74,603 0.133,605 0.089,606 0.05,607 0.04,608 0.019,609 0.007,613 0.338,614 0.83,615 1,616 0.673,617 52.519,618 -0.012,619 0.069,620 0.023,621 0.079,622 -0.043,623 0.055,624 -0.053,625 -0.138,626 -0.152,627 -0.119,628 -0.055,629 -0.136,630 0.315,631 -0.27,632 -0.091,633 -0.317,634 0.273,635 -0.125,636 -0.11,637 -0.107,638 0.161,639 -0.067,640 -0.151,641 0.082,642 -0.572,643 0.279,644 0.08,645 0.368,646 -0.469,647 0.017,648 -0.42,649 0.161,650 -0.386,651 0.051,652 -0.333,653 -0.171,654 0.031,655 -0.582,656 -0.619,657 -0.666,658 0.076,659 -0.636,660 0.291,661 -0.065,662 0.362,663 0.088,664 0.179,665 0.062,666 2.081,667 4.572,668 0.714,669 5.959,670 1.023,671 1.075,672 1.55,673 2.402,674 0.824,675 2.773,676 3.045,677 3.296,678 3.434,679 3.219,680 3.219,681 3.045,682 2.833,683 2.565,684 2.197,685 3.749,686 0.769,687 222.3,688 2.773,689 4.263,690 5.094,691 5.938,692 6.783,693 7.632,694 8.481,695 9.331,696 10.182,697 11.033,715 6,719 2,720 2,722 10,727 2,741 20,743 12,745 15,747 21,748 10,749 8,752 2,756 2,757 2,772 10,777 2,782 2,786 2,793 6,794 2,796 4,797 2,808 1,809 2,828 2,859 2,862 2,868 14,888 2,893 10,896 2,901 7.333,902 3.667,903 3.167,904 1.076,907 1.636,908 1.305,909 0.989,910 2.753,911 7.001,912 3.135,913 3.676,914 4.259,915 4.702,916 4.582,917 4.862,918 4.808,919 4.808,920 4.925,921 4.925,922 0.75,923 16,924 5.185,925 0.002,926 2.228,927 0.026,929 8.095,931 9.574,932 0.001,933 7.67,934 -0.001,936 2.595,937 36.333,938 0.004,941 70.627,942 128.742,945 50.29,947 62.555,948 66.187,949 120.916,953 53.203,954 60.557,956 26.259,957 109.64,959 70.627,960 66.187,961 50.29,962 62.555,964 70.627,965 50.29,969 66.187,971 62.555,972 70.627,973 50.29,974 128.742,977 70.627,978 75.539,979 53.203,981 50.29,982 70.627,983 50.29,984 128.742,986 0.573,987 0.348,988 0.178,989 0.062,990 10,991 4,992 0.143,993 3,995 1,996 2.662,997 85.605,999 10,1000 39.303,1001 2,1005 9.564,1006 4.031,1007 1.941,1009 50.29,1010 10.431,1014 2.582,1015 1.006,1018 249.659,1019 22,1024 23.143,1028 -0.829,1031 20.458,1032 21.504,1034 0.39,1035 0.612,1036 0.722,1037 0.769,1038 0.769,1039 0.769,1040 4.311,1041 0.272,1042 5.056,1043 1.372,1044 3.714,1045 4.357,1047 5.832,1048 3.61,1049 5.504,1050 -1.194,1051 6.603,1052 0.608,1053 3.219,1054 3.951,1056 6.706,1057 3.17,1058 6.79,1059 -1.231,1060 8.261,1061 -2.744,1062 5.263,1063 6.487,1065 9.815,1066 5.111,1067 8.122,1068 -1.497,1069 9.986,1070 -2.828,1071 5.707,1072 7.062,1074 11.536,1075 5.603,1076 9.49,1077 -1.618,1078 11.753,1079 -3.633,1080 7.133,1081 8.879,1083 14.142,1084 6.979,1085 10.882,1086 -1.618,1087 13.548,1088 -4.372,1089 7.958,1090 9.869,1092 16.172,1093 7.839,1094 12.292,1095 -1.846,1096 15.361,1097 -4.372,1098 9.173,1099 11.413,1101 18.61,1102 9.034,1103 3.042,1104 -2,1105 17.186,1106 -5.198,1107 10.155,1108 12.594,1110 20.777,1111 10.04,1112 2.521,1113 10.025,1114 19.02,1115 -7.135,1116 11.296,1117 14.025,1119 23.144,1120 11.175,1121 1.858,1122 7.59,1123 20.861,1124 3.928,1125 12.346,1126 15.297,1128 25.378,1129 12.24,1130 1.284,1131 4.624,1132 22.708,1133 3.52,1134 13.462,1135 16.681,1137 27.713,1138 13.356,1139 0.792,1140 2.828,1141 24.558,1142 2.698,1143 14.542,1144 17.995,1146 29.981,1147 14.446,1148 0.618,1149 1.863,1150 26.412,1151 1.837,1152 15.65,1153 19.36,1155 32.3,1156 15.556,1157 0.618,1158 1.372,1159 28.27,1160 1.167,1161 16.744,1162 20.696,1164 34.586,1165 16.656,1166 1339,1167 2712,1168 9.94,1169 16.489,1170 22.684,1171 23.848,1172 22.353,1173 22.003,1174 22.009,1175 30.941,1177 60.568,1178 20.684,1179 5.23,1180 5.837,1181 6.124,1182 5.126,1183 5.042,1184 6.56,1186 17.16,1187 4.971,1188 5.393,1189 1.512,1190 1.59,1191 1.49,1192 1.467,1193 1.467,1194 2.063,1196 4.038,1197 1.379,1198 3.942,1199 3.935,1200 4.267,1201 3.968,1202 7.496,1203 3.895,1204 3.793,1205 3.797,1206 4.179,1207 3.854,1208 7.352,1209 3.759,1210 3.303,1211 3.293,1212 3.342,1213 3.117,1214 4.649,1215 3.147,1216 2.633,1217 2.641,1218 2.683,1219 2.427,1220 4.616,1221 2.442,1222 2.387,1223 2.463,1224 2.681,1225 2.376,1226 3.27,1227 2.234,1228 2.364,1229 2.412,1230 2.574,1231 2.376,1232 3.165,1233 2.222,1234 2.081,1235 2.105,1236 2.063,1237 1.989,1238 3.061,1239 1.931,1240 1.996,1241 1.992,1242 1.989,1243 1.629,1244 2.962,1245 1.691,1246 0.293,1247 0.256,1248 0.435,1249 0.269,1250 0.203,1251 4.389,1252 0.262,1253 3.837,1255 6.527,1256 0.668,1257 4.039,1258 0.202,1259 3.042,1260 3.928,1262 10.025,1263 3.033,1264 1.659,1265 1.671,1266 1.718,1267 1.772,1268 0.802,1269 1.754,1270 1.468,1271 1.431,1272 1.643,1273 1.575,1274 0.689,1275 1.602,1276 1.412,1277 1.393,1278 1.425,1279 1.489,1280 0.623,1281 1.534,1282 1.268,1283 1.296,1284 1.14,1285 1.233,1286 0.519,1287 1.327,1288 0.724,1289 0.739,1290 0.815,1291 0.892,1293 0.924,1294 0.019,1295 0.038,1296 0.358,1297 0.502,1299 0.4,1302 0.336,1303 0.091,1305 0.191,1308 0.215,1309 0.087,1311 0.184,1312 3.434,1314 4.71,1315 3.045,1316 6.163,1317 5.13,1318 7.699,1319 6.986,1320 9.283,1340 15.384,1341 33.71,1342 52.929,1343 62.439,1344 66.439,1345 66.439,1346 66.439,1347 23.643,1348 5.366,1349 34.14,1350 90.62,1351 10,1352 11.59,1353 3.7,1354 3,1355 21.285,1356 31,1357 22,1358 0.355,1359 104.597,1360 173.8,1361 246.977,1362 1017,1364 9.966,1365 0.712,1366 0.624,1367 10.673,1368 8.73,1369 6.788,1370 0.453,1371 0.381,1372 4.075,1373 5.688,1374 3.822,1375 3.16,1376 7.696,1377 5.708,1378 5.807,1379 0.29,1380 0.225,1381 6.974,1382 4.508,1383 5.116,1384 0.197,1385 0.132,1386 6.517,1387 3.433,1388 3.825,1389 0.127,1390 0.079,1391 5.142,1392 2.361,1393 1.906,1394 0.079,1395 0.039,1396 2.536,1397 0.948,1398 0.525,1399 50.963,1400 0.317,1401 14.12,1402 1.061,1403 70,1404 251.192,1405 118.772,1406 282.335,1407 369.92,1408 262,1409 81,1410 224.073,1411 123.617,1412 255.672,1413 372.74,1414 240,1415 4}
{0 CHEMBL365517,1 1.746,2 8.545,3 2.909,4 8.461,5 76.722,6 10.008,7 0.522,8 3.546,9 3.608,10 3.328,11 3.106,12 5.038,13 3.145,14 3.967,15 4.027,16 3.669,17 3.454,18 5.7,19 3.496,20 4.216,21 4.328,22 3.788,23 3.537,24 5.854,25 3.591,26 4.294,27 4.401,28 3.782,29 3.408,30 5.983,31 3.516,32 4.182,33 4.255,34 3.753,35 3.225,36 6.134,37 3.381,38 3.983,39 4.025,40 3.595,41 3.115,42 6.211,43 3.234,44 3.803,45 3.916,46 3.302,47 3.042,48 5.619,49 3.082,50 3.8,51 3.96,52 3.083,53 2.833,54 5.591,55 2.867,56 0.263,57 0.416,58 2.358,59 2.377,60 40.666,61 2.123,62 0.477,63 0.6,64 3.884,65 3.946,66 107.554,67 3.387,68 0.625,69 0.756,70 8.036,71 4.954,72 122.999,73 4.708,74 0.869,75 0.746,76 10.762,77 5.021,78 177.333,79 3.896,80 0.978,81 0.623,82 9.76,83 4.004,84 203.999,85 2.549,86 0.906,87 0.505,88 6.593,89 3.393,90 213.999,91 2.212,92 0.505,93 0.484,94 5.421,95 3.135,96 99.778,97 2.988,98 0.601,99 0.45,100 8.26,101 3.213,102 125.222,103 3.339,104 41,105 32,106 0.322,107 0.499,108 0.612,109 0.76,110 0.831,111 0.831,112 3.147,113 0.781,114 -4.14,115 -4.09,116 -3.87,121 46.7,144 8,145 2,146 2,159 2,168 4,176 8,179 2,180 6,187 9,191 1,192 15,200 5,205 2,206 13,214 3,218 7,219 10,227 6,231 7,232 5,239 7,243 3,244 7,251 5,255 2,256 9,264 2,269 8,281 644,282 14.242,283 14.242,284 14.242,285 14.242,286 14.242,287 12.038,288 11.654,289 8.316,290 14.304,291 11.271,292 11.271,293 11.271,294 11.271,295 11.271,296 7.91,297 14.396,298 3.874,299 11.312,300 3.16,301 2.2,302 1.584,303 0.784,304 0.4,305 0.4,306 3.799,310 1,311 1,312 1,313 382,314 3.742,318 156.986,325 1.273,326 50.812,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 51,338 188,339 4.559,340 3.901,341 6.755,342 4.184,343 3.174,344 4.279,345 2.612,346 10.907,347 3.213,348 4.241,349 3.78,350 6.216,351 3.828,352 2.825,353 3.804,354 2.612,355 9.046,356 2.819,357 4.064,358 3.727,359 5.856,360 3.529,361 2.556,362 3.656,364 7.914,365 2.483,366 3.699,367 2.983,368 5.361,369 3.183,370 2.18,371 3.149,373 6.297,374 2.177,375 3.293,376 2.368,377 4.507,378 2.711,379 1.7,380 2.6,382 4.164,383 1.714,384 2.982,385 2.157,386 3.87,387 2.371,388 1.361,389 2.128,391 3.104,392 1.372,393 2.683,394 1.752,395 3.631,396 2.089,397 1.074,398 1.677,400 2.651,401 1.088,402 2.593,403 1.323,404 3.588,405 2,406 1,407 1.585,409 2.413,410 1,411 2.5,412 1.28,413 3.247,414 2,415 1,416 1.5,418 2.136,419 1,420 2.236,421 1,422 3.129,423 1.571,424 0.466,425 0.771,427 1.082,428 0.51,429 1.062,430 1,431 2.336,432 0.579,433 -0.441,434 -0.64,436 -1.098,437 -0.447,438 1,439 1,440 2.317,441 0.28,442 -0.751,443 -1.102,445 -1.609,446 -0.771,447 1,448 0.123,449 1.947,450 0.168,451 -0.822,452 -1.18,454 -2,455 -0.811,456 0.75,457 -0.284,458 1.703,460 -1,461 -1.5,463 -2,464 -1,465 0.65,466 -0.583,467 1.555,469 -1,470 -1.849,472 -2.347,473 -1,474 9.8,475 0.445,476 0.672,477 0.031,478 34.5,479 1.568,480 21,481 0.955,482 13.5,483 0.614,484 10.99,485 0.5,486 23.2,487 0.773,488 27.765,489 1.262,490 7.153,491 0.325,492 3.26,493 0.148,494 0.204,496 0.388,501 0.31,502 0.796,503 0.503,504 0.776,505 0.534,506 0.783,507 0.501,508 1.129,509 0.66,510 1.12,511 0.502,512 1.045,513 0.703,514 1.189,515 0.75,516 1.178,517 0.62,518 1.055,519 1.304,520 1.05,521 1.066,522 1.085,523 1.304,524 0.992,525 1.401,526 0.786,527 1.08,528 0.788,529 1.559,530 0.77,531 0.985,532 0.891,533 1.045,534 0.874,535 1.024,536 0.961,537 0.618,538 1.163,539 0.949,540 1.201,541 0.583,542 1.245,543 0.862,544 1.072,545 1.112,546 1.086,547 0.784,548 1.183,549 4.5,550 0.037,551 3.111,552 1.875,553 1.564,554 1.167,555 0.407,556 0.259,557 0.185,558 0.101,559 4167,560 19359,561 1.919,562 26.7,564 8,572 1.65,573 1.737,574 3.095,575 -0.627,577 1,579 1,582 52.394,583 1.746,584 2.707,585 3.323,586 4.123,587 4.507,588 4.507,589 2.517,590 3.88,591 4.43,592 3.207,593 740.75,594 7.639,595 8005.46,596 1,597 1,598 1,599 1,600 147.207,601 1.573,602 4.349,603 0.196,604 0.007,605 0.097,606 0.054,607 0.047,608 0.038,609 0.016,610 0.013,611 0.012,612 0.011,613 0.491,614 0.33,615 1,616 1.028,617 99.798,618 0.276,619 0.319,620 0.053,621 0.181,622 0.001,623 0.031,624 0.174,625 -0.128,626 -0.011,627 -0.122,628 0.164,629 -0.16,630 0.033,631 -0.201,632 0.132,633 -0.193,634 0.092,635 -0.048,636 -0.281,637 -0.106,638 -0.051,639 -0.123,640 -0.267,641 -0.014,642 -0.141,643 0.169,644 -0.081,645 0.139,646 -0.258,647 0.081,648 0.259,649 0.038,650 -0.143,651 0.074,652 0.272,653 -0.15,654 0.201,655 -0.175,656 -0.008,657 -0.232,658 0.202,659 -0.242,660 0.086,661 -0.157,662 0.117,663 -0.091,664 0.139,665 -0.01,666 2.932,667 5.128,668 0.545,669 16.479,670 1.061,671 1.117,672 2.914,673 8.489,674 0.701,675 3.178,676 3.497,677 3.738,678 3.912,679 4.111,680 4.094,681 4.094,682 3.932,683 3.807,684 3.714,685 5.146,686 0.73,687 300.24,688 3.178,689 4.71,690 5.549,691 6.418,692 7.283,693 8.157,694 9.03,695 9.907,696 10.783,697 11.662,698 6.7,709 2,715 8,720 4,722 12,727 2,735 2,741 30,743 18,744 2,745 23,747 31,748 14,749 12,750 4,751 8,752 2,756 2,757 2,772 14,777 6,779 2,782 6,786 2,789 1,790 1,793 8,794 6,796 8,802 2,808 1,809 6,829 2,859 2,868 22,893 20,896 2,899 4,901 12.667,902 5.567,903 4.917,904 1.622,907 2.468,908 1.389,909 0.929,910 4.28,911 8.81,912 3.584,913 4.19,914 4.718,915 5.207,916 5.738,917 5.945,918 6.233,919 6.187,920 6.234,921 6.46,922 0.833,923 35,924 8.2,926 3.712,927 0.026,929 8.773,931 13.986,933 10.936,936 3.273,937 72,941 94.169,942 97.962,943 11.34,945 151.784,948 97.962,949 245.952,950 11.34,951 11.34,953 75.81,954 60.557,955 11.885,957 94.169,958 101.494,959 94.169,960 109.302,961 151.784,964 94.169,965 50.29,966 101.494,969 97.962,970 11.34,972 94.169,973 163.124,974 97.962,977 94.169,978 22.152,979 87.15,981 151.784,982 94.169,983 163.124,984 97.962,986 0.586,987 0.345,988 0.173,989 0.097,990 14,991 8,992 0.161,993 5,995 1,996 3.228,997 166.755,999 12,1000 90.107,1005 15.326,1006 6.144,1007 3.176,1009 151.784,1010 10.059,1015 -1.705,1018 355.254,1019 35,1021 -1.751,1024 67.406,1028 -2.009,1031 31.818,1032 33.499,1034 0.356,1035 0.552,1036 0.677,1037 0.84,1038 0.918,1039 0.918,1040 4.796,1041 1,1042 5.557,1043 2.651,1044 4.174,1045 4.875,1046 3.153,1047 6.382,1048 4.174,1049 6.037,1050 1,1051 7.143,1052 2.413,1053 3.892,1054 4.844,1055 3.006,1056 7.368,1057 3.892,1058 7.364,1059 0.466,1060 8.834,1061 2.136,1062 5.784,1063 7.109,1064 4.84,1065 10.461,1066 5.782,1067 8.729,1068 -0.441,1069 10.584,1070 1.082,1071 6.293,1072 7.856,1073 5.194,1074 12.239,1075 6.304,1076 10.122,1077 -0.751,1078 12.369,1079 -1.098,1080 7.705,1081 9.625,1082 6.64,1083 14.872,1084 7.714,1085 11.536,1086 -0.822,1087 14.179,1088 -1.609,1089 8.553,1090 10.71,1091 7.248,1092 16.972,1093 8.581,1094 12.966,1095 -1,1096 16.005,1097 -2,1098 9.784,1099 12.288,1100 8.487,1101 19.443,1102 9.815,1103 3.174,1104 -1,1105 17.844,1106 -2,1107 10.784,1108 13.534,1109 9.241,1110 21.688,1111 10.835,1112 2.825,1113 10.907,1114 19.691,1115 -2.347,1116 11.947,1117 15.03,1118 10.363,1119 24.1,1120 12.006,1121 2.556,1122 9.046,1123 21.546,1124 4.279,1125 13.017,1126 16.36,1127 11.202,1128 26.414,1129 13.096,1130 2.18,1131 7.914,1132 23.407,1133 3.804,1134 14.157,1135 17.819,1136 12.256,1137 28.805,1138 14.248,1139 1.7,1140 6.297,1141 25.273,1142 3.656,1143 15.262,1144 19.196,1145 13.145,1146 31.154,1147 15.37,1148 1.361,1149 4.164,1150 27.144,1151 3.149,1152 16.397,1153 20.64,1154 14.161,1155 33.538,1156 16.519,1157 1.074,1158 3.104,1159 29.018,1160 2.6,1161 17.519,1162 22.043,1163 15.079,1164 35.904,1165 17.657,1166 4318,1167 9451,1168 14.334,1169 21.023,1170 35.266,1171 38.355,1172 36.669,1173 34.758,1174 34.674,1175 50.299,1176 10.45,1177 99.428,1178 34.751,1179 5.391,1180 5.901,1181 6.557,1182 5.184,1183 5.174,1184 7.279,1185 4.612,1186 18.379,1187 5.213,1188 13.765,1189 1.533,1190 1.668,1191 1.594,1192 1.511,1193 1.508,1194 2.187,1195 0.454,1196 4.323,1197 1.511,1198 4.066,1199 4.083,1200 4.043,1201 3.936,1202 7.819,1203 3.951,1204 3.901,1205 3.925,1206 3.847,1207 3.819,1208 7.811,1209 3.82,1210 3.653,1211 3.67,1212 3.653,1213 3.278,1214 7.496,1215 3.341,1216 3.472,1217 3.47,1218 3.45,1219 3.076,1220 7.352,1221 3.185,1222 3.222,1223 3.233,1224 3.174,1225 2.885,1226 6.999,1227 2.952,1228 2.854,1229 2.925,1230 2.713,1231 2.735,1232 6.999,1233 2.715,1234 2.785,1235 2.809,1236 2.687,1237 2.563,1238 4.726,1239 2.604,1240 2.677,1241 2.734,1242 2.534,1243 2.403,1244 4.592,1245 2.463,1246 0.198,1247 0.17,1248 0.294,1249 0.182,1250 0.138,1251 4.559,1252 0.186,1253 3.901,1254 0.114,1255 6.755,1256 0.474,1257 4.184,1258 0.14,1259 3.174,1260 4.279,1261 2.612,1262 10.907,1263 3.213,1264 1.968,1265 1.953,1266 2.042,1267 2.143,1268 1.132,1269 2.092,1270 1.883,1271 1.858,1272 1.986,1273 1.984,1274 1.06,1275 1.988,1276 1.368,1277 1.362,1278 1.409,1279 1.837,1280 0.377,1281 1.681,1282 1.221,1283 1.205,1284 1.281,1285 1.602,1286 0.218,1287 1.512,1288 1.026,1289 0.998,1290 1.181,1291 1.368,1292 0.213,1293 1.309,1294 0.886,1295 0.821,1296 1.169,1297 1.062,1298 0.156,1299 1.107,1300 0.698,1301 0.669,1302 0.897,1303 0.941,1305 0.937,1306 0.592,1307 0.548,1308 0.795,1309 0.889,1311 0.903,1312 3.85,1314 5.165,1316 6.681,1318 8.284,1320 9.933,1340 21.912,1341 52.394,1342 81.207,1343 99.697,1344 123.697,1345 135.207,1346 135.207,1347 77.856,1348 6.342,1349 125.78,1350 125.78,1351 12,1352 12.199,1353 4.248,1354 3.7,1355 41.97,1356 66,1357 66,1358 0.316,1359 138.568,1360 252.58,1361 329.867,1362 3733,1364 16.276,1365 0.74,1366 0.498,1367 16.276,1368 10.963,1369 10.414,1370 0.453,1371 0.26,1372 5.869,1373 9.791,1374 5.8,1375 4.808,1376 10.414,1377 5.984,1378 9.505,1379 0.297,1380 0.132,1381 9.505,1382 4.24,1383 7.693,1384 0.188,1385 0.07,1386 7.693,1387 2.876,1388 5.767,1389 0.118,1390 0.037,1391 5.767,1392 1.82,1393 4.576,1394 0.076,1395 0.019,1396 4.576,1397 1.163,1398 0.478,1399 67.434,1400 0.264,1401 21.36,1402 0.918,1403 110,1404 511.703,1405 126.561,1406 480.485,1407 608.5,1408 434,1409 128,1410 427.003,1411 144.566,1412 418.348,1413 599.05,1414 389,1415 4}
{0 CHEMBL365678,1 1.352,2 21.814,3 8.196,4 67.179,5 171.663,6 7.046,7 0.489,8 4.475,9 4.581,10 3.997,11 4.049,12 5.528,13 4.012,14 5.025,15 5.19,16 4.327,17 4.425,18 6.046,19 4.366,20 5.288,21 5.493,22 4.366,23 4.543,24 6.285,25 4.453,26 5.329,27 5.563,28 4.269,29 4.508,30 6.267,31 4.395,32 5.263,33 5.49,34 4.213,35 4.47,36 6.194,37 4.354,38 5.279,39 5.521,40 4.183,41 4.462,42 6.185,43 4.333,44 5.252,45 5.488,46 4.127,47 4.424,48 6.14,49 4.296,50 5.207,51 5.447,52 4.087,53 4.376,54 6.105,55 4.248,56 0.031,57 1.039,58 17.436,59 8.306,60 9.545,61 10.633,62 0.295,63 1.743,64 32.735,65 13.638,66 34.847,67 17.918,68 0.496,69 2.155,70 44.942,71 17.771,72 65.562,73 23.459,74 0.565,75 2.228,76 47.965,77 18.315,78 72.66,79 24.709,80 0.456,81 2.1,82 44.392,83 17.364,84 61.407,85 23.348,86 0.467,87 2.13,88 45.364,89 17.866,90 65.94,91 24.42,92 0.503,93 2.053,94 44.438,95 17.118,96 62.283,97 23.049,98 0.451,99 1.972,100 42.418,101 16.352,102 58.311,103 22.185,104 20,105 63,106 0.203,107 0.504,108 0.728,109 0.856,110 0.894,111 0.902,112 3.787,113 0.968,114 -6.36,115 -6.2,116 -5.75,121 45.1,122 1,123 6,126 1,127 3,137 1,140 1,144 14,145 5,146 3,159 1,160 1,176 23,179 1,180 13,187 26,191 1,192 13,200 20,205 1,206 13,214 17,218 1,219 9,227 19,231 1,232 9,239 19,243 1,244 8,251 18,255 1,256 9,264 18,269 7,277 16,281 4584,282 29.455,283 29.455,284 29.455,285 29.455,286 29.455,287 26.349,288 26.939,289 17.871,290 29.88,291 23.22,292 23.22,293 23.22,294 23.22,295 23.22,296 18.353,297 33.642,298 8.564,299 23.894,300 5.006,301 3.004,302 1.516,303 0.665,304 0.409,305 0.36,306 4.493,313 2042,314 4.796,317 119.669,318 601.724,321 215.399,322 237.097,325 3.315,326 35.84,329 0.5,330 0.5,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.51,337 91.5,338 938,339 4.533,340 3.728,341 6.694,342 4.169,343 3.189,344 4.346,345 2.443,346 10.796,347 3.127,348 4.4,349 3.703,350 6.184,351 3.918,352 2.919,353 4.122,354 0.916,355 9.233,356 2.917,357 4.105,358 2.985,359 5.681,360 3.725,361 2.761,362 3.688,363 0.86,364 7.996,365 2.664,366 3.921,367 2.943,368 5.663,369 3.481,370 2.518,371 3.4,372 0.86,373 7.644,374 2.427,375 3.672,376 2.923,377 5.315,378 3.394,379 2.451,380 3.029,381 0.286,382 6.815,383 2.305,384 3.644,385 2.635,386 5.29,387 3.253,388 2.272,389 2.886,390 0.172,391 6.808,392 2.223,393 3.378,394 2.612,395 5.081,396 3.14,397 2.167,398 2.515,400 5.806,401 2.088,402 3.265,403 2.379,404 4.862,405 2.878,406 1.899,407 2.5,409 5.594,410 1.855,411 3.118,412 2.172,413 4.744,414 2.809,415 1.827,416 2.427,418 4.934,419 1.776,420 3.09,421 2.014,422 4.585,423 2.716,424 1.739,425 2.183,427 4.814,428 1.691,429 3.041,430 1.842,431 4.411,432 2.623,433 1.676,434 2.175,436 4.356,437 1.618,438 2.881,439 1.618,440 3.857,441 2.618,442 1.618,443 2.057,445 3.679,446 1.569,447 2.823,448 1.546,449 3.632,450 2.399,451 1.404,452 1.833,454 3.007,455 1.396,456 2.658,457 1.432,458 3.576,459 2.355,460 1.379,461 1.725,463 2.893,464 1.34,465 2.501,466 1.366,467 3.517,468 2.179,469 1.187,470 1.443,472 2.606,473 1.176,474 20.567,475 0.478,476 0.865,477 0.02,478 54.25,479 1.262,480 28,481 0.651,482 26.25,483 0.61,484 40.454,485 0.941,486 46.033,487 0.561,488 43.646,489 1.015,490 10.449,491 0.243,492 10.53,493 0.245,494 0.081,496 0.287,501 0.727,502 1.197,503 0.822,504 1.111,505 0.578,506 1,507 0.894,508 1.052,509 0.919,510 1.031,511 0.57,512 0.977,513 1.112,514 1.019,515 0.984,516 1,517 0.853,518 0.978,519 1.067,520 0.954,521 0.974,522 0.939,523 0.985,524 0.941,525 1.048,526 0.998,527 1.017,528 1,529 0.992,530 1.003,531 0.841,532 0.991,533 0.943,534 0.994,535 0.809,536 0.983,537 1.113,538 0.966,539 1.045,540 0.971,541 0.978,542 0.995,543 1.024,544 0.959,545 1.009,546 0.976,547 0.938,548 0.986,549 8,550 0.196,551 3.333,552 2.889,553 1.711,554 1.188,555 0.752,556 0.574,557 0.392,558 0.206,559 43834,560 105258,561 2.1,562 47.6,563 9,564 24,568 2,569 4,572 1.806,573 2,574 4.363,575 -0.855,582 110.829,583 1.352,584 3.354,585 4.842,586 5.693,587 5.949,588 5.998,589 3.833,590 5.333,591 5.399,592 4.583,593 4138.42,594 9.488,595 89470.8,600 521.319,601 1.254,602 5.373,603 0.17,604 0.005,605 0.053,606 0.046,607 0.031,608 0.022,609 0.015,610 0.012,611 0.009,612 0.005,613 0.368,614 0.17,615 0.5,616 0.823,617 260.795,618 0.011,619 -0.091,620 0.061,621 -0.045,622 -0.013,623 0.005,624 0.052,625 0.023,626 0.028,627 -0.02,628 0.098,629 0.002,630 -0.005,631 -0.017,632 0.007,633 -0.007,634 0.057,636 -0.005,637 0.035,638 0.029,639 0.037,640 0.012,641 0.038,642 -0.04,643 -0.004,644 -0.027,645 -0.015,646 -0.031,647 -0.019,648 0.05,649 -0.01,650 0.04,651 -0.008,652 0.053,653 0.012,654 -0.065,655 0.015,656 -0.045,657 0.008,658 -0.06,659 -0.013,660 -0.032,661 0.027,662 -0.013,663 0.002,664 -0.014,665 -0.002,666 1.881,667 5.901,668 0.581,669 73.931,670 0.994,671 1.115,672 5.134,673 26.361,674 0.668,675 3.871,676 4.159,677 4.394,678 4.644,679 4.852,680 4.913,681 5.043,682 5.182,683 5.226,684 5.273,685 12.522,686 0.629,687 577.77,688 3.871,689 5.398,690 6.229,691 7.088,692 7.936,693 8.804,694 9.662,695 10.536,696 11.401,697 12.281,698 1.2,701 1,714 2,715 14,720 6,722 23,727 1,739 2,741 82,743 26,744 4,745 47,747 86,748 37,749 22,750 8,751 14,752 3,756 5,757 7,763 1,770 6,772 26,773 11,777 3,782 2,784 1,786 3,793 39,794 6,796 6,802 1,808 0.6,809 5,828 1,829 4,832 1,833 1,846 1,849 2,855 1,859 3,864 2,868 43,876 9,878 3,881 1,893 6.1,896 2,898 3,901 21.5,902 15.283,903 9.611,904 5.386,907 5.017,908 1.566,909 0.977,910 10.65,911 13.879,912 4.135,913 4.696,914 5.251,915 5.82,916 6.383,917 6.655,918 7.058,919 7.481,920 7.842,921 8.096,922 1,923 63,924 15.964,926 6.691,927 0.026,929 7.647,931 30.956,933 25.253,936 2.147,937 92.333,941 459.073,942 231.377,943 3.124,945 83.29,948 231.377,949 542.362,950 3.124,951 17.222,952 24.011,953 142.144,954 67.858,955 66.557,957 459.073,959 459.073,960 234.502,961 83.29,964 411.989,965 130.374,968 35.961,969 183.822,970 14.72,972 459.073,973 86.414,974 231.377,977 459.073,978 72.012,979 162.49,981 83.29,982 459.073,983 86.414,984 231.377,986 0.569,987 0.323,988 0.172,989 0.094,990 27,991 12,992 0.174,993 15,994 2,995 1.16,996 5.611,997 398.504,998 0.16,999 25,1000 233.329,1005 30.533,1006 14.999,1007 8.563,1008 2.284,1009 86.414,1010 27.465,1015 4.511,1018 776.864,1019 61.5,1024 24.44,1026 1.803,1028 0.013,1031 81.527,1032 91.434,1034 0.213,1035 0.528,1036 0.762,1037 0.895,1038 0.936,1039 0.943,1040 5.355,1041 1.899,1042 6.184,1043 5.806,1044 4.844,1045 5.384,1046 2.741,1047 6.94,1048 4.791,1049 6.538,1050 1.827,1051 7.703,1052 5.594,1053 4.29,1054 5.103,1055 2.283,1056 7.7,1057 4.213,1058 7.825,1059 1.739,1060 9.319,1061 4.934,1062 6.382,1063 7.544,1064 3.907,1065 10.802,1066 6.281,1067 9.148,1068 1.676,1069 10.995,1070 4.814,1071 6.661,1072 8.1,1073 4.276,1074 12.432,1075 6.541,1076 10.504,1077 1.618,1078 12.711,1079 4.356,1080 8.189,1081 10.009,1082 5.496,1083 15.038,1084 8.051,1085 11.885,1086 1.404,1087 14.456,1088 3.679,1089 8.887,1090 10.986,1091 6.159,1092 17.065,1093 8.735,1094 13.285,1095 1.379,1096 16.223,1097 3.007,1098 10.173,1099 12.655,1100 7.209,1101 19.5,1102 10.007,1103 3.189,1104 1.187,1105 18.008,1106 2.893,1107 11.088,1108 13.853,1109 7.992,1110 21.71,1111 10.909,1112 2.919,1113 10.796,1114 19.808,1115 2.606,1116 12.271,1117 15.406,1118 8.963,1119 24.088,1120 12.079,1121 2.761,1122 9.233,1123 21.621,1124 4.346,1125 13.295,1126 16.722,1127 9.802,1128 26.382,1129 13.089,1130 2.518,1131 7.996,1132 23.445,1133 4.122,1134 14.439,1135 18.218,1136 10.734,1137 28.746,1138 14.22,1139 2.451,1140 7.644,1141 25.278,1142 3.688,1143 15.517,1144 19.597,1145 11.599,1146 31.079,1147 15.284,1148 2.272,1149 6.815,1150 27.12,1151 3.4,1152 16.649,1153 21.067,1154 12.512,1155 33.442,1156 16.401,1157 2.167,1158 6.808,1159 28.968,1160 3.029,1161 17.755,1162 22.479,1163 13.391,1164 35.794,1165 17.493,1166 40963,1167 63720,1168 31.898,1169 54.745,1170 68.64,1171 71.157,1172 70.272,1173 68.306,1174 68.272,1175 88.543,1176 11.075,1177 187.764,1178 66.457,1179 5.497,1180 5.728,1181 6.585,1182 5.253,1183 5.189,1184 7.346,1185 4.174,1186 17.882,1187 5.127,1188 19.529,1189 1.46,1190 1.514,1191 1.495,1192 1.453,1193 1.453,1194 1.884,1195 0.236,1196 3.995,1197 1.414,1198 4.107,1199 4.124,1200 4.063,1201 4.062,1202 7.433,1203 4.059,1204 3.979,1205 3.993,1206 3.941,1207 3.895,1208 7.427,1209 3.904,1210 3.941,1211 3.964,1212 3.879,1213 3.857,1214 4.954,1215 3.858,1216 3.771,1217 3.828,1218 3.624,1219 3.643,1220 4.865,1221 3.627,1222 3.632,1223 3.685,1224 3.533,1225 3.506,1226 4.81,1227 3.505,1228 3.592,1229 3.633,1230 3.494,1231 3.427,1232 4.575,1233 3.432,1234 3.547,1235 3.593,1236 3.412,1237 3.394,1238 4.327,1239 3.389,1240 3.388,1241 3.448,1242 3.285,1243 3.227,1244 4.304,1245 3.237,1246 0.096,1247 0.079,1248 0.142,1249 0.089,1250 0.068,1251 4.533,1252 0.092,1253 3.728,1254 0.052,1255 6.694,1256 0.23,1257 4.169,1258 0.067,1259 3.189,1260 4.346,1261 2.443,1262 10.796,1263 3.127,1264 2.078,1265 2.06,1266 2.161,1267 2.128,1268 1.392,1269 2.14,1270 1.913,1271 1.887,1272 2.053,1273 2.028,1274 1.292,1275 2.036,1276 1.869,1277 1.856,1278 2.009,1279 1.977,1280 1.209,1281 1.983,1282 1.773,1283 1.714,1284 1.944,1285 1.921,1286 1.112,1287 1.936,1288 1.606,1289 1.586,1290 1.849,1291 1.807,1292 1.056,1293 1.82,1294 1.584,1295 1.527,1296 1.825,1297 1.756,1298 1.004,1299 1.781,1300 1.554,1301 1.491,1302 1.727,1303 1.716,1304 0.854,1305 1.715,1306 1.357,1307 1.298,1308 1.659,1309 1.588,1310 0.805,1311 1.617,1312 4.554,1314 5.849,1315 2.398,1316 7.328,1317 4.844,1318 8.897,1319 7.018,1320 10.516,1322 3.913,1328 8.37,1330 17.236,1333 2.299,1340 51.605,1341 110.829,1342 275.009,1343 397.023,1344 466.79,1345 487.809,1346 491.809,1347 86.703,1348 8.862,1349 68.98,1350 68.98,1351 29,1352 12.821,1353 4.755,1354 3.954,1355 72.407,1356 332,1357 306,1358 0.101,1359 314.512,1360 561.25,1361 759.169,1362 133643,1364 30.02,1365 0.698,1366 0.582,1367 30.02,1368 25.013,1369 20.979,1370 0.446,1371 0.323,1372 15.01,1373 20.356,1374 14.621,1375 12.193,1376 20.979,1377 15.164,1378 18.365,1379 0.292,1380 0.175,1381 18.365,1382 11.033,1383 15.078,1384 0.188,1385 0.094,1386 15.078,1387 7.537,1388 12.373,1389 0.12,1390 0.051,1391 12.373,1392 5.212,1393 9.918,1394 0.078,1395 0.028,1396 9.918,1397 3.528,1398 0.173,1399 130.265,1400 0.177,1401 40.038,1402 0.246,1403 220,1404 616.323,1405 238.134,1406 589.4,1407 808.29,1408 554,1409 253,1410 595.033,1411 271.056,1412 600.583,1413 876.62,1414 566,1415 5.68}
{0 CHEMBL365809,1 1.459,2 2.667,3 -0.508,4 0.258,5 21.541,6 7.175,8 2.51,9 2.615,10 1.97,11 1.973,12 3.824,13 1.947,14 2.959,15 3.171,16 2.183,17 2.076,18 4.317,19 2.061,20 2.974,21 3.086,22 2.03,23 1.862,24 4.898,25 1.895,26 2.65,27 2.834,28 0.778,29 1.464,30 4.007,31 1.311,32 2.195,33 2.648,34 0.062,35 0.835,36 2.303,37 0.485,56 0.03,57 0.135,58 2.318,59 1.123,60 8.614,61 1.428,62 0.087,63 0.164,64 4.328,65 1.366,66 23.216,67 1.981,68 0.271,69 0.13,70 4.797,71 1.013,72 65.889,73 1.35,74 0.164,75 0.087,76 3.503,77 0.716,78 38.334,79 1.052,80 0.063,81 0.043,82 2.371,83 0.431,84 14.695,85 0.926,104 20,105 6,106 0.394,107 0.484,108 0.484,109 0.484,110 0.368,111 0.135,112 2.041,113 0.995,114 -0.9,115 -1,116 -1.11,121 33.3,122 2,158 2,180 2,191 1,192 2,200 1,281 16,282 3.328,283 3.328,284 3.328,285 3.328,286 3.328,287 2.977,288 4.119,289 1.987,290 3.239,291 2.414,292 2.414,293 2.414,294 2.414,295 2.414,296 1.865,297 3.063,298 0.911,299 2.27,300 2.126,301 1.792,302 1.792,303 1.792,304 2.223,305 3.085,306 2.444,312 1,313 24,314 2.449,325 0.444,326 11.176,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 14,338 16,339 3.935,340 3.814,341 5.562,342 3.626,343 2.562,344 3.236,345 1.277,346 6.745,347 2.714,348 2.618,349 2.859,350 3,351 2.105,352 1,353 1.414,354 1.277,355 2,356 1.095,357 0.537,358 0.47,359 1.438,360 0.104,361 -1,362 -1.236,364 -2,365 -1.086,366 0.382,367 0.221,368 1,369 0.095,370 -1,371 -1.414,372 -1.277,373 -2,374 -1.095,375 -0.473,376 -1.205,377 1,378 -0.53,379 -1.562,380 -2,381 -1.277,382 -4.745,383 -1.629,474 2.667,475 0.444,476 0.271,477 0.045,478 6,479 1,480 3,481 0.5,482 3,483 0.5,484 2.808,485 0.468,486 7.533,487 0.628,488 3.323,489 0.554,490 1.402,491 0.234,492 1.24,493 0.207,494 0.625,496 0.375,501 0.517,502 1.5,503 0.794,504 1.492,505 0.571,506 1.272,507 0.605,508 1.149,509 0.506,510 1.099,511 0.607,512 0.815,513 1.707,514 1.031,515 1.517,516 1.037,517 1.67,518 1.188,519 1.843,520 1.027,521 1.992,522 1.102,523 1.84,524 1.528,549 2,551 0.889,559 61,560 355,561 1.442,562 50,568 6,572 1.173,573 1.286,574 1.765,575 -0.614,582 17.51,583 1.459,584 1.792,585 1.792,586 1.792,587 1.362,588 0.5,589 0.918,590 0.918,591 2.556,592 1.566,593 23.484,594 3.788,595 109.862,600 43.02,601 0.918,602 2.371,603 0.4,605 0.148,613 0.548,614 1,615 1,616 0.918,617 13.483,618 -0.003,619 -0.182,620 -0.053,621 -0.18,622 -0.058,623 -0.14,624 0.074,625 -0.171,626 0.372,627 -0.103,628 0.077,629 0.189,630 -0.206,631 -0.153,632 -0.501,633 -0.209,634 -0.16,635 -0.421,636 -0.612,637 -0.244,638 -1.059,639 -0.346,640 -0.616,641 -0.783,642 0.37,643 0.494,644 0.956,645 0.591,646 0.354,647 0.919,666 2.046,667 2.794,669 1.778,670 1.025,671 1.139,672 -0.333,673 0.111,674 0.599,675 1.792,676 1.946,677 1.609,685 2.082,686 0.584,687 86.1,688 1.792,689 3.135,690 3.761,691 4.466,692 5.142,693 5.838,694 6.526,695 7.22,696 7.912,697 8.606,741 12,743 2,745 5,747 11,748 4,752 2,763 2,772 2,773 2,777 2,782 2,786 2,793 6,794 2,796 2,809 2,841 2,864 2,868 6,893 16.7,896 2,901 4.667,902 2.833,903 1.444,904 0.646,907 0.405,908 1.131,909 0.785,910 1.521,911 3.497,912 2.079,913 2.398,914 2.303,922 0.5,923 4,924 2.165,925 0.196,926 0.761,927 -0.416,928 0.001,929 9.056,930 0.002,931 3.719,932 0.098,933 2.281,934 -0.254,935 0.017,936 3.556,937 21.333,938 0.042,941 70.627,942 27.917,945 50.29,948 27.917,949 120.916,951 17.65,954 60.557,957 70.627,959 70.627,960 27.917,961 50.29,964 70.627,965 50.29,968 17.65,969 10.267,972 70.627,973 50.29,974 27.917,977 70.627,978 10.267,979 17.65,981 50.29,982 70.627,983 50.29,984 27.917,986 0.578,987 0.267,990 2,991 2,992 0.091,993 1,996 1.475,997 17.064,1000 9.51,1005 5.351,1006 1.706,1007 2.351,1009 50.29,1018 148.834,1019 7,1024 19.588,1028 -0.759,1031 12.305,1032 13.664,1034 0.407,1035 0.5,1036 0.5,1037 0.5,1038 0.38,1039 0.139,1040 3.178,1042 3.807,1044 2.565,1045 3.045,1046 2.019,1047 4.394,1048 2.681,1049 4.382,1051 5.323,1053 2.565,1054 3.219,1056 5.263,1057 2.734,1058 5.663,1060 6.952,1062 3.97,1063 4.92,1064 2.456,1065 7.873,1066 4.199,1067 6.974,1069 8.626,1071 4.615,1072 5.771,1074 9.352,1075 4.908,1076 8.304,1078 10.32,1080 5.707,1081 7.117,1082 2.912,1083 11.569,1084 6.052,1085 9.646,1087 12.024,1089 6.553,1090 8.185,1092 13.272,1093 6.961,1094 10.998,1096 13.734,1098 7.546,1099 9.419,1100 3.38,1101 15.328,1102 8.008,1103 2.562,1105 15.447,1107 8.454,1108 10.556,1110 17.136,1111 8.977,1112 1,1113 6.745,1114 17.161,1116 9.414,1117 11.752,1118 3.857,1119 19.117,1120 9.992,1121 -1,1122 2,1123 18.876,1124 3.236,1125 10.342,1126 12.913,1128 20.975,1129 10.981,1130 -1,1131 -2,1132 20.591,1133 1.414,1134 11.29,1135 14.096,1136 4.338,1137 22.919,1138 11.985,1139 -1.562,1140 -2,1141 22.307,1142 -1.236,1143 12.226,1144 15.265,1146 24.803,1147 12.98,1149 -4.745,1150 24.022,1151 -1.414,1152 13.17,1153 16.442,1154 4.823,1155 26.73,1156 13.981,1159 25.738,1160 -2,1161 14.109,1162 17.615,1164 28.626,1165 14.978,1166 107,1167 282,1168 2.197,1169 7.193,1170 7.507,1171 8.419,1172 7.523,1173 7.142,1174 7.123,1175 9.301,1176 5.11,1177 17.489,1178 7.62,1179 4.408,1180 5.019,1181 4.562,1182 4.156,1183 4.123,1184 5.236,1185 2.555,1186 11.489,1187 4.343,1188 3.786,1189 1.501,1190 1.684,1191 1.505,1192 1.428,1193 1.425,1194 1.86,1195 1.022,1196 3.498,1197 1.524,1198 3.701,1199 3.717,1200 3.63,1201 3.506,1202 7.498,1203 3.53,1204 3.157,1205 3.246,1206 2.934,1207 2.923,1208 7.353,1209 2.906,1210 2.536,1211 2.61,1212 2.242,1213 2.169,1214 3.824,1215 2.176,1216 2.167,1217 2.129,1218 2.035,1219 1.593,1220 3.643,1221 1.718,1222 0.941,1223 1.207,1224 0.113,1225 0.38,1226 1.952,1227 0.262,1228 0.941,1229 1.207,1230 0.083,1231 0.38,1232 0.999,1233 0.262,1234 0.941,1235 1.207,1236 0.083,1237 0.38,1238 0.999,1239 0.262,1240 0.941,1241 1.207,1242 0.083,1243 0.38,1244 0.999,1245 0.262,1246 0.787,1247 0.763,1248 1.112,1249 0.725,1250 0.512,1251 3.935,1252 0.647,1253 3.814,1254 0.255,1255 5.562,1256 1.349,1257 3.626,1258 0.543,1259 2.562,1260 3.236,1261 1.277,1262 6.745,1263 2.714,1264 1.614,1265 1.59,1266 1.819,1267 1.835,1268 0.823,1269 1.823,1270 1.165,1271 1.073,1272 1.562,1273 1.439,1274 0.6,1275 1.483,1276 0.444,1277 0.371,1278 0.736,1279 0.849,1281 0.825,1285 0.394,1287 0.238,1312 2.398,1314 3.555,1316 4.875,1318 6.244,1320 7.626,1322 2.505,1340 7.01,1341 17.51,1342 21.51,1343 21.51,1344 21.51,1345 16.34,1346 6,1347 9.647,1348 3.091,1349 34.14,1350 34.14,1352 9.298,1353 1.585,1354 1.585,1355 11.19,1356 7,1357 4,1358 1.088,1359 51.277,1360 90.06,1361 116.877,1362 29,1364 5.155,1365 0.859,1366 0.636,1367 5.155,1368 3.816,1369 2.643,1370 0.529,1371 0.332,1372 1.63,1373 2.491,1374 1.485,1375 1.295,1376 2.643,1377 1.658,1378 2.488,1379 0.415,1380 0.185,1381 2.488,1382 1.112,1383 1.333,1384 0.333,1385 0.124,1386 1.333,1387 0.496,1398 1.34,1399 17.011,1400 0.675,1401 5.395,1402 3.971,1403 22,1404 129.471,1405 26.207,1406 118.225,1407 137.86,1408 106,1409 21,1410 79.273,1411 24.433,1412 78.967,1413 105.57,1414 72,1415 4}
{0 CHEMBL365904,1 1.461,2 13.25,3 4.481,4 20.081,5 114.062,6 7.118,7 0.387,8 4.105,9 4.213,10 3.685,11 3.691,12 5.078,13 3.627,14 4.68,15 4.855,16 4.025,17 4.099,18 5.554,19 3.994,20 4.894,21 5.094,22 4.086,23 4.214,24 5.807,25 4.078,26 4.939,27 5.16,28 3.99,29 4.181,30 5.833,31 4.036,32 4.935,33 5.177,34 3.912,35 4.123,36 5.794,37 3.97,38 4.816,39 5.04,40 3.784,41 4.053,42 5.728,43 3.879,44 4.758,45 5.016,46 3.64,47 3.94,48 5.626,49 3.733,50 4.589,51 4.848,52 3.505,53 3.757,54 5.397,55 3.605,56 0.029,57 0.754,58 13.185,59 6.061,60 8.202,61 7.691,62 0.212,63 1.277,64 26.876,65 10.554,66 19.337,67 13.187,68 0.364,69 1.539,70 35.449,71 13.303,72 33.947,73 16.756,74 0.297,75 1.568,76 36.768,77 13.569,78 38.633,79 17.339,80 0.344,81 1.518,82 36.64,83 13.28,84 39.883,85 17.135,86 0.269,87 1.373,88 32.717,89 12.367,90 39.376,91 15.564,92 0.458,93 1.285,94 32.83,95 12.103,96 48.059,97 15.55,98 0.21,99 1.074,100 25.603,101 9.247,102 23.023,103 12.409,104 14,105 43,106 0.242,107 0.544,108 0.752,109 0.82,110 0.826,111 0.832,112 3.374,113 1.07,114 -4.53,115 -4.46,116 -4.2,121 41.1,123 6,124 1,126 2,127 1,129 1,144 4,145 2,146 3,147 2,158 1,176 10,180 3,187 11,189 3,191 1,192 6,200 7,203 3,206 5,214 5,216 2,219 6,227 10,229 1,239 12,243 2,244 2,246 1,251 8,256 2,264 7,266 2,269 3,277 1,279 1,281 1292,282 19.29,283 19.29,284 19.29,285 19.29,286 19.29,287 17.712,288 21.002,289 11.263,290 19.874,291 15.191,292 15.191,293 15.191,294 15.191,295 15.191,296 12.576,297 17.96,298 5.218,299 15.959,300 4.346,301 2.52,302 1.259,303 0.848,304 0.813,305 0.777,306 4.068,311 1,312 1,313 812,314 3.464,316 78.943,317 67.603,318 185.588,321 128.139,325 2.125,326 20.949,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 59.5,338 371,339 4.433,340 4.688,341 6.437,342 4.067,343 3.12,344 4.091,345 3.389,346 10.099,347 2.95,348 4.065,349 3.68,350 6.068,351 3.733,352 2.765,353 3.643,354 1.975,355 8.762,356 2.686,357 3.971,358 3.174,359 5.709,360 3.685,361 2.726,362 3.253,363 0.86,364 7.83,365 2.628,366 3.677,367 2.856,368 5.629,369 3.494,370 2.505,371 2.932,372 0.86,373 7.465,374 2.472,375 3.603,376 2.764,377 5.342,378 3.287,379 2.312,380 2.803,382 6.954,383 2.224,384 3.314,385 2.61,386 4.978,387 3.015,388 2.064,389 2.423,391 5.931,392 1.952,393 3.093,394 2.38,395 4.717,396 2.698,397 1.771,398 2.285,400 5.118,401 1.628,402 2.5,403 2.211,404 4.114,405 2.246,406 1.284,407 1.5,409 3.485,410 1.213,411 2.473,412 2.096,413 3.943,414 1.984,415 1.136,416 1.43,418 2.841,419 0.983,420 2.223,421 1.135,422 3.414,423 1.983,424 1,425 1.204,427 2.275,428 0.946,429 1.924,430 1.054,431 3.269,432 1.807,433 0.815,434 0.861,436 1.883,437 0.806,438 1.723,439 1,440 3.01,441 1.503,442 0.49,443 0.57,445 1.116,446 0.489,447 1.473,448 0.829,449 2.887,450 1.208,451 0.354,452 0.386,454 0.483,455 0.3,456 1.388,457 0.793,458 2.739,459 1.121,460 0.241,461 0.271,463 0.458,464 0.209,465 1.08,466 0.345,467 2.618,468 1,474 13.733,475 0.49,476 0.601,477 0.021,478 31.5,479 1.125,480 14,481 0.5,482 17.5,483 0.625,484 27.126,485 0.969,486 30.967,487 0.553,488 20.944,489 0.748,490 5.591,491 0.2,492 8.065,493 0.288,494 0.097,496 0.32,501 0.754,502 1.234,503 0.798,504 1.058,505 0.555,506 1.019,507 1.156,508 0.982,509 1.002,510 0.938,511 0.725,512 0.934,513 0.902,514 1.11,515 1.094,516 1.132,517 1.114,518 1.065,519 1.029,520 1.095,521 1.069,522 1.117,523 1.275,524 1.069,525 1.083,526 0.938,527 0.961,528 0.961,529 0.861,530 0.951,531 1.108,532 1.086,533 1.184,534 1.134,535 1.518,536 1.126,537 0.435,538 0.998,539 1.124,540 1.12,541 0.779,542 1.023,543 0.848,544 0.95,545 0.867,546 0.932,547 0.764,548 0.891,549 6,550 0.172,551 2.778,552 1.729,553 1.623,554 0.889,555 0.6,556 0.35,557 0.167,558 0.142,559 11532,560 24621,561 2.115,562 50,563 8,564 13,566 2,568 2,569 3,572 1.704,573 2,574 3.682,575 -0.813,577 1,582 81.809,583 1.461,584 3.287,585 4.548,586 4.959,587 4.995,588 5.03,589 3.128,590 3.995,591 4.776,592 3.858,593 1458.22,594 8.269,595 20275.9,597 1,599 1,600 325.212,601 1.333,602 4.748,603 0.194,604 0.008,605 0.068,606 0.042,607 0.044,608 0.026,609 0.021,610 0.014,611 0.007,612 0.007,613 0.43,614 0.17,615 1,616 0.789,617 144.041,618 0.017,619 -0.099,620 0.087,621 -0.01,622 0.04,623 0.014,624 -0.118,625 0.104,626 0.028,627 0.111,628 -0.021,629 0.063,630 0.069,631 -0.066,632 -0.021,633 -0.068,634 -0.012,635 -0.063,636 -0.042,637 -0.085,638 -0.049,639 -0.103,640 -0.076,641 -0.081,642 -0.049,643 0.037,644 0.029,645 0.017,646 0.037,647 0.026,648 -0.108,649 -0.09,650 -0.126,651 -0.094,652 -0.091,653 -0.131,654 0.328,655 -0.023,656 0.001,657 -0.043,658 0.241,659 -0.009,660 0.015,661 0.005,662 0.079,663 0.025,664 0.095,665 0.093,666 1.342,667 5.766,668 0.679,669 31.163,670 0.993,671 1.119,672 3.305,673 10.923,674 0.666,675 3.466,676 3.784,677 4.06,678 4.248,679 4.477,680 4.564,681 4.654,682 4.771,683 4.718,684 4.625,685 7.67,686 0.615,687 398.59,688 3.466,689 5.004,690 5.855,691 6.727,692 7.594,693 8.47,694 9.343,695 10.222,696 11.099,697 11.979,698 1.8,708 1,715 6,720 5,721 1,722 12,739 2,741 56,743 13,744 1,745 31,747 59,748 23,749 11,750 4,751 2,756 4,757 5,767 5,768 1,770 7,772 12,773 11,774 1,777 1,782 1,786 1,790 1,793 28,794 3,796 5,797 1,802 1,803 1,808 0.75,809 3,822 1,827 1,828 1,829 2,832 1,841 1,859 3,860 1,862 1,864 2,868 28,876 7,878 2,879 1,880 2,893 5.4,896 1,898 2,901 14,902 10.583,903 6.25,904 3.569,907 2.219,908 1.293,909 0.965,910 6.27,911 9.78,912 3.664,913 4.205,914 4.714,915 5.175,916 5.706,917 5.857,918 6.047,919 6.295,920 6.334,921 6.251,922 0.889,923 41,924 10.431,926 4.427,927 0.026,929 7.536,931 20.645,933 17.549,936 2.036,937 57,939 1,940 1,941 329.591,942 150.841,943 1.899,945 47.145,947 32.22,948 118.621,949 376.736,950 1.899,951 21.766,952 17.313,953 37.905,954 55.72,955 58.503,957 338.268,959 329.591,960 120.52,961 47.145,962 32.22,964 294.278,965 82.458,968 35.408,969 83.213,970 1.899,971 32.22,972 329.591,973 49.044,974 150.841,977 329.591,978 73.075,979 79.665,981 47.145,982 329.591,983 49.044,984 150.841,986 0.577,987 0.346,988 0.173,989 0.096,990 21,991 9,992 0.136,993 8,994 1,995 1.105,996 4.172,997 234.074,998 0.105,999 19,1000 128.606,1001 1,1005 19.782,1006 8.875,1007 4.572,1009 47.145,1010 12.654,1015 5.003,1016 2.277,1018 529.475,1019 38,1024 12.766,1028 0.324,1031 55.589,1032 62.652,1034 0.252,1035 0.566,1036 0.783,1037 0.854,1038 0.86,1039 0.866,1040 4.913,1041 1.284,1042 5.832,1043 5.118,1044 4.466,1045 4.89,1046 3.491,1047 6.621,1048 4.377,1049 6.086,1050 1.136,1051 7.377,1052 3.485,1053 4.007,1054 4.663,1055 2.036,1056 7.445,1057 3.883,1058 7.384,1059 1,1060 9.016,1061 2.841,1062 6.066,1063 6.993,1064 5.624,1065 10.514,1066 5.905,1067 8.711,1068 0.815,1069 10.708,1070 2.275,1071 6.415,1072 7.556,1073 4.168,1074 12.128,1075 6.201,1076 10.068,1077 0.49,1078 12.433,1079 1.883,1080 7.909,1081 9.376,1082 7.986,1083 14.691,1084 7.67,1085 11.443,1086 0.354,1087 14.181,1088 1.116,1089 8.633,1090 10.305,1091 6.596,1092 16.655,1093 8.328,1094 12.832,1095 0.241,1096 15.943,1097 0.483,1098 9.894,1099 11.914,1100 10.393,1101 19.037,1102 9.563,1103 3.12,1105 17.718,1106 0.458,1107 10.807,1108 13.039,1109 9.16,1110 21.169,1111 10.406,1112 2.765,1113 10.099,1114 19.502,1116 11.97,1117 14.546,1118 12.812,1119 23.487,1120 11.534,1121 2.726,1122 8.762,1123 21.294,1124 4.091,1125 12.979,1126 15.784,1127 11.751,1128 25.702,1129 12.474,1130 2.505,1131 7.83,1132 23.093,1133 3.643,1134 14.103,1135 17.238,1136 15.235,1137 28,1138 13.555,1139 2.312,1140 7.465,1141 24.897,1142 3.253,1143 15.162,1144 18.542,1145 14.332,1146 30.256,1147 14.547,1148 2.064,1149 6.954,1150 26.707,1151 2.932,1152 16.274,1153 19.969,1154 17.659,1155 32.55,1156 15.609,1157 1.771,1158 5.931,1159 28.521,1160 2.803,1161 17.36,1162 21.312,1163 16.895,1164 34.828,1165 16.63,1166 10818,1167 16008,1168 20.978,1169 37.296,1170 45.394,1171 49.111,1172 46.901,1173 45.115,1174 45.164,1175 55.302,1176 14.168,1177 129.401,1178 42.971,1179 5.433,1180 6.688,1181 6.055,1182 5.184,1183 5.12,1184 7.091,1185 6.716,1186 16.854,1187 4.95,1188 12.164,1189 1.464,1190 1.584,1191 1.513,1192 1.455,1193 1.457,1194 1.784,1195 0.457,1196 4.174,1197 1.386,1198 4.038,1199 4.079,1200 4.137,1201 3.981,1202 7.426,1203 3.956,1204 3.971,1205 3.99,1206 3.928,1207 3.881,1208 4.922,1209 3.879,1210 3.822,1211 3.871,1212 3.699,1213 3.729,1214 4.777,1215 3.715,1216 3.629,1217 3.656,1218 3.613,1219 3.488,1220 4.495,1221 3.49,1222 3.375,1223 3.427,1224 3.338,1225 3.209,1226 4.334,1227 3.197,1228 3.247,1229 3.313,1230 3.068,1231 2.958,1232 4.257,1233 2.963,1234 3.149,1235 3.217,1236 3.008,1237 2.932,1238 3.913,1239 2.938,1240 2.989,1241 3.077,1242 2.877,1243 2.801,1244 3.676,1245 2.777,1246 0.143,1247 0.151,1248 0.208,1249 0.131,1250 0.101,1251 4.433,1252 0.132,1253 4.688,1254 0.109,1255 6.437,1256 0.326,1257 4.067,1258 0.095,1259 3.12,1260 4.091,1261 3.389,1262 10.099,1263 2.95,1264 1.974,1265 1.928,1266 2.144,1267 2.121,1268 1.535,1269 2.129,1270 1.87,1271 1.859,1272 2.018,1273 1.974,1274 1.269,1275 1.992,1276 1.84,1277 1.796,1278 1.948,1279 1.958,1280 1.166,1281 1.958,1282 1.623,1283 1.595,1284 1.772,1285 1.783,1286 1.013,1287 1.791,1288 1.322,1289 1.259,1290 1.598,1291 1.543,1292 0.868,1293 1.565,1294 1.196,1295 1.138,1296 1.574,1297 1.518,1298 0.615,1299 1.536,1300 1.183,1301 1.106,1302 1.49,1303 1.424,1304 0.575,1305 1.466,1306 1.03,1307 0.953,1308 1.356,1309 1.246,1310 0.571,1311 1.289,1312 4.143,1314 5.493,1315 2.398,1316 7.015,1317 4.727,1318 8.609,1319 6.843,1320 10.243,1322 3.285,1328 7.41,1330 10.767,1331 1.657,1332 0.856,1340 34.465,1341 81.809,1342 184.085,1343 254.683,1344 277.702,1345 279.702,1346 281.702,1347 48.113,1348 7.561,1349 39.41,1350 64.71,1351 21,1352 12.516,1353 3.807,1354 3,1355 42.829,1356 129,1357 134,1358 0.159,1359 212.707,1360 373.94,1361 510.764,1362 21198,1364 19.51,1365 0.697,1366 0.626,1367 19.863,1368 17.518,1369 13.657,1370 0.441,1371 0.357,1372 10.129,1373 12.727,1374 9.766,1375 8.079,1376 14.065,1377 11.06,1378 12.034,1379 0.28,1380 0.213,1381 12.676,1382 9.154,1383 10.497,1384 0.184,1385 0.129,1386 11.334,1387 7.381,1388 7.949,1389 0.115,1390 0.074,1391 8.822,1392 5.13,1393 6.531,1394 0.075,1395 0.042,1396 7.341,1397 3.621,1398 0.259,1399 89.442,1400 0.218,1401 27.453,1402 0.412,1403 148,1404 378.4,1405 183.565,1406 378.549,1407 516.44,1408 358,1409 174,1410 355.381,1411 208.687,1412 375.887,1413 548.68,1414 352,1415 7.399}
{0 CHEMBL365982,1 1.287,2 7,3 2.327,4 5.415,5 63.119,6 7.143,7 0.706,8 3.48,9 3.579,10 2.991,11 3.083,12 4.637,13 3.043,14 3.938,15 4.063,16 3.286,17 3.436,18 5.055,19 3.37,20 4.249,21 4.44,22 3.365,23 3.521,24 5.464,25 3.431,26 4.272,27 4.483,28 3.224,29 3.397,30 5.454,31 3.305,32 4.199,33 4.427,34 3.092,35 3.285,36 5.372,37 3.19,38 3.994,39 4.236,40 2.79,41 3.151,42 5.043,43 3.012,44 3.713,45 3.981,46 2.397,47 2.928,48 4.568,49 2.739,50 3.365,51 3.661,52 1.859,53 2.529,54 4.078,55 2.293,56 0.043,57 0.354,58 6.298,59 3.008,60 13.067,61 3.716,62 0.05,63 0.563,64 10.286,65 4.808,66 15.955,67 6.065,68 0.197,69 0.746,70 15.458,71 6.398,72 42.737,73 8.355,74 0.168,75 0.742,76 16.565,77 6.29,78 42.569,79 8.011,80 0.206,81 0.681,82 15.848,83 5.77,84 46.262,85 7.347,86 0.155,87 0.569,88 12.703,89 4.904,90 33.093,91 6.486,92 0.075,93 0.444,94 9.335,95 3.926,96 16.898,97 5.5,98 0.033,99 0.314,100 6.575,101 2.818,102 8.791,103 4.094,104 5,105 22,106 0.247,107 0.453,108 0.515,109 0.612,110 0.648,111 0.648,112 2.853,113 0.926,114 -3.74,115 -3.71,116 -3.53,121 46.7,129 2,144 10,145 2,176 12,185 2,187 12,196 1,197 6,200 7,211 8,214 4,224 6,227 8,237 2,239 10,251 8,264 4,277 1,281 256,282 10.88,283 10.88,284 10.88,285 10.88,286 10.88,287 9.427,288 10.003,289 6.695,290 10.933,291 8.369,292 8.369,293 8.369,294 8.369,295 8.369,296 6.336,297 13.398,298 3.173,299 8.496,300 3.62,301 2.548,302 2.224,303 1.717,304 1.533,305 1.533,306 3.503,311 1,312 1,313 234,314 2.646,318 107.525,325 1,326 15.97,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 34,338 112,339 4.223,340 3.448,341 6.525,342 4.004,343 3.035,344 3.651,345 0.765,346 10.021,347 2.937,348 3.887,349 2.753,350 5.7,351 3.492,352 2.499,353 3.44,354 0.765,355 7.565,356 2.481,357 3.253,358 1.982,359 4.597,360 2.862,361 1.882,362 2.481,364 4.575,365 1.839,366 2.917,367 1.655,368 3.761,369 2.486,370 1.496,371 2.086,373 3.19,374 1.48,375 2.5,376 1.203,377 3.478,378 2.073,379 1.093,380 1.5,382 2.564,383 1.067,384 2.5,385 1,386 3.247,387 2,388 1,389 1.5,391 2.136,392 1,393 2.477,394 1,395 3.247,396 2,397 1,398 1.47,400 2.136,401 1,402 1.583,403 0.928,404 3,405 1.318,406 0.425,407 0.478,409 0.965,410 0.374,411 0.664,412 -0.421,413 2.153,414 0.239,415 -0.743,416 -0.964,418 -1.602,419 -0.722,420 0.613,421 -0.447,422 1.555,423 0.201,424 -0.757,425 -0.964,427 -1.615,428 -0.724,429 0.5,430 -1,431 1.555,433 -1,434 -1.427,436 -2.347,437 -1,438 0.5,439 -1,440 1.539,442 -1,443 -1.5,445 -2.347,446 -1,447 -0.297,448 -1.026,449 1.247,450 -0.459,451 -1.348,452 -1.5,454 -3.437,455 -1.203,456 -0.5,457 -1.35,458 1,459 -0.697,460 -1.662,461 -2.039,463 -4.789,464 -1.61,465 -0.5,466 -1.647,467 1,468 -0.92,469 -1.919,470 -2.211,472 -4.789,473 -1.919,474 7.667,475 0.479,476 0.298,477 0.019,478 21,479 1.313,480 12,481 0.75,482 9,483 0.563,484 9.562,485 0.598,486 16.933,487 0.564,488 13.235,489 0.827,490 4.435,491 0.277,492 3.353,493 0.21,494 0.087,496 0.261,501 0.99,502 0.877,503 0.891,504 0.874,505 1.086,506 0.869,507 0.905,508 1.165,509 1.045,510 1.162,511 0.984,512 1.129,513 0.85,514 1.126,515 0.964,516 1.118,517 0.839,518 1.067,519 1.475,520 1.111,521 1.091,522 1.091,523 1.399,524 1.046,525 1.636,526 0.897,527 1.054,528 0.883,529 1.556,530 0.886,531 1.215,532 0.862,533 1.069,534 0.873,535 1.195,536 0.939,537 0.483,538 0.923,539 0.976,540 0.951,541 0.529,542 1.02,543 0.1,544 1.033,545 0.922,546 1.064,547 0.172,548 1.101,549 2,551 1.778,552 1.125,553 0.702,554 0.361,555 0.082,556 0.049,557 0.032,559 1909,560 4979,561 2.03,562 46.7,564 12,567 2,572 1.552,573 1.92,574 2.869,575 0.329,577 1,578 1,579 1,582 38.601,583 1.287,584 2.359,585 2.683,586 3.19,587 3.374,588 3.374,589 2.25,590 2.156,591 3.975,592 2.909,593 349.047,594 6.695,595 2999.48,597 1,599 1,600 147.207,601 1.299,602 3.94,603 0.118,605 0.081,606 0.051,607 0.039,608 0.023,609 0.007,610 0.006,611 0.008,613 0.332,614 1,615 1,616 0.625,617 64.124,618 -0.128,619 0.158,620 -0.024,621 0.148,622 -0.222,623 0.088,624 -0.08,625 -0.153,626 -0.169,627 -0.159,628 -0.157,629 -0.174,630 0.18,631 -0.154,632 -0.007,633 -0.15,634 0.188,635 -0.112,636 -0.1,637 -0.159,638 -0.073,639 -0.15,640 -0.04,641 -0.114,642 -0.157,643 0.051,644 -0.007,645 0.053,646 -0.101,647 0.045,648 -0.146,649 0.092,650 -0.073,651 0.082,652 -0.133,653 0.025,654 -0.019,655 0.034,656 -0.046,657 0.026,658 -0.042,659 -0.008,660 0.09,661 -0.089,662 -0.007,663 -0.087,664 0.056,665 -0.065,666 2.219,667 3.992,668 0.75,669 8.5,670 0.995,671 1.111,672 2.514,673 6.318,674 0.675,675 2.89,676 3.135,677 3.367,678 3.497,679 3.611,680 3.367,681 3.367,682 3.219,683 3.045,684 2.833,685 4.235,686 0.637,687 214.28,688 2.89,689 4.369,690 5.187,691 6.019,692 6.853,693 7.692,694 8.532,695 9.374,696 10.216,697 11.06,715 10,720 2,722 12,741 30,743 12,744 2,745 17,747 31,748 14,749 12,750 2,751 10,756 2,757 2,770 2,772 12,773 2,790 1,793 14,794 2,795 2,796 2,808 1,809 2,811 2,829 2,857 2,859 2,868 16,875 2,880 2,893 6.7,894 2,901 8.333,902 4.9,903 3.667,904 1.633,907 2.033,908 1.358,909 0.873,910 3.346,911 7.71,912 3.178,913 3.689,914 4.197,915 4.656,916 5.114,917 4.835,918 5.094,919 5.211,920 5.433,921 5.614,922 0.8,923 22,924 5.934,926 2.51,927 0.026,929 7.875,931 11.169,933 8.99,936 2.375,937 38,938 0.002,941 141.253,942 101.134,945 85.367,948 101.134,949 226.62,953 180.129,955 6.371,957 141.253,959 141.253,960 101.134,961 85.367,964 141.253,966 85.367,969 101.134,972 141.253,973 85.367,974 101.134,977 141.253,978 6.371,979 94.762,981 85.367,982 141.253,983 85.367,984 101.134,986 0.564,987 0.336,988 0.173,989 0.088,990 10,991 4,992 0.097,993 3,995 1,996 2.86,997 102.479,999 12,1000 40,1005 10.867,1006 4.926,1007 2.499,1009 85.367,1010 18.344,1015 1.442,1017 85.367,1018 327.754,1019 23,1031 29.84,1032 33.325,1034 0.262,1035 0.481,1036 0.547,1037 0.65,1038 0.688,1039 0.688,1040 4.344,1041 0.425,1042 5.13,1043 2.136,1044 3.807,1045 4.369,1046 1.206,1047 5.878,1048 3.77,1049 5.499,1050 -0.743,1051 6.655,1052 0.965,1053 3.219,1054 3.689,1056 6.706,1057 3.118,1058 6.751,1059 -0.757,1060 8.296,1061 -1.602,1062 5.323,1063 6.413,1064 0.862,1065 9.826,1066 5.246,1067 8.041,1068 -1,1069 10.008,1070 -1.615,1071 5.638,1072 6.536,1074 11.522,1075 5.478,1076 9.364,1077 -1,1078 11.766,1079 -2.347,1080 7.165,1081 8.708,1082 0.588,1083 14.141,1084 7.03,1085 10.71,1086 -1.348,1087 13.553,1088 -2.347,1089 7.897,1090 9.241,1092 16.164,1093 7.683,1094 12.075,1095 -1.662,1096 15.362,1097 -3.437,1098 9.178,1099 11.114,1100 0.384,1101 18.605,1102 8.973,1103 3.035,1104 -1.919,1105 17.184,1106 -4.789,1107 10.107,1108 11.889,1110 20.771,1111 9.834,1112 2.499,1113 10.021,1114 19.017,1115 -4.789,1116 11.282,1117 13.574,1118 0.242,1119 23.138,1120 11.002,1121 1.882,1122 7.565,1123 20.857,1124 3.651,1125 12.304,1126 14.506,1128 25.372,1129 11.968,1130 1.496,1131 4.575,1132 22.703,1133 3.44,1134 13.435,1135 16.066,1136 0.148,1137 27.706,1138 13.081,1139 1.093,1140 3.19,1141 24.553,1142 2.481,1143 14.501,1144 17.105,1146 29.974,1147 14.099,1148 1,1149 2.564,1150 26.407,1151 2.086,1152 15.616,1153 18.579,1154 0.089,1155 32.293,1156 15.188,1157 1,1158 2.136,1159 28.264,1160 1.5,1161 16.703,1162 19.692,1164 34.578,1165 16.233,1166 1941,1167 3175,1168 11.326,1169 20.239,1170 25.033,1171 25.04,1172 25.698,1173 24.85,1174 24.86,1175 33.212,1176 3.059,1177 66.301,1178 24.355,1179 5.043,1180 5.448,1181 6.327,1182 5.004,1183 5.035,1184 6.651,1185 1.529,1186 17.141,1187 4.937,1188 5.991,1189 1.473,1190 1.473,1191 1.512,1192 1.462,1193 1.462,1194 1.954,1195 0.18,1196 3.9,1197 1.433,1198 3.975,1199 4,1200 3.907,1201 3.909,1202 6.494,1203 3.904,1204 3.849,1205 3.88,1206 3.775,1207 3.795,1208 6.401,1209 3.786,1210 3.399,1211 3.43,1212 3.289,1213 3.23,1214 4.745,1215 3.237,1216 2.901,1217 2.944,1218 2.774,1219 2.758,1220 4.709,1221 2.751,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.677,1227 2.715,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 2.593,1235 2.656,1236 2.421,1237 2.377,1238 3.674,1239 2.376,1240 2.491,1241 2.541,1242 2.279,1243 1.968,1244 3.542,1245 2.032,1246 0.248,1247 0.203,1248 0.384,1249 0.236,1250 0.179,1251 4.223,1252 0.215,1253 3.448,1254 0.045,1255 6.525,1256 0.589,1257 4.004,1258 0.173,1259 3.035,1260 3.651,1261 0.765,1262 10.021,1263 2.937,1264 1.951,1265 1.927,1266 2.067,1267 2.04,1268 1.225,1269 2.05,1270 1.862,1271 1.834,1272 1.992,1273 1.942,1274 1.057,1275 1.96,1276 1.349,1277 1.316,1278 1.549,1279 1.567,1280 0.713,1281 1.559,1282 0.886,1283 0.834,1284 1.181,1285 1.109,1286 0.23,1287 1.107,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.879,1295 0.821,1296 1.124,1297 1.062,1298 0.218,1299 1.104,1300 0.565,1301 0.499,1302 0.912,1303 0.84,1305 0.864,1306 0.299,1307 0.233,1308 0.756,1309 0.814,1311 0.801,1312 3.555,1314 4.812,1316 6.29,1318 7.852,1320 9.454,1327 19.985,1332 -1.771,1340 19.117,1341 38.601,1342 70.768,1343 80.478,1344 95.697,1345 101.207,1346 101.207,1347 26.967,1348 5.677,1349 40.46,1350 40.46,1351 12,1352 11.623,1353 3.7,1354 2.807,1355 25.898,1356 40,1357 34,1358 0.328,1359 120.705,1360 205.98,1361 286.279,1362 1629,1364 11.38,1365 0.711,1366 0.551,1367 11.38,1368 8.823,1369 7.788,1370 0.458,1371 0.309,1372 5.213,1373 7.661,1374 5.104,1375 4.249,1376 7.788,1377 5.248,1378 6.514,1379 0.296,1380 0.169,1381 6.514,1382 3.711,1383 5.616,1384 0.201,1385 0.092,1386 5.616,1387 2.581,1388 4.179,1389 0.131,1390 0.052,1391 4.179,1392 1.665,1393 3.131,1394 0.087,1395 0.03,1396 3.131,1397 1.062,1398 0.493,1399 47.881,1400 0.297,1401 16.153,1402 0.954,1403 78,1404 206.299,1405 82.207,1406 203.567,1407 272,1408 190,1409 89,1410 187.545,1411 93.761,1412 193.457,1413 280.96,1414 183,1415 4}
{0 CHEMBL366114,1 1.533,2 10.875,3 3.205,4 10.271,5 97.519,6 7.489,7 0.462,8 3.912,9 4.013,10 3.537,11 3.491,12 4.968,13 3.435,14 4.464,15 4.631,16 3.902,17 3.898,18 5.418,19 3.81,20 4.629,21 4.786,22 3.968,23 4.028,24 5.663,25 3.91,26 4.717,27 4.912,28 3.826,29 3.986,30 5.684,31 3.842,32 4.72,33 4.964,34 3.726,35 3.871,36 5.612,37 3.722,38 4.529,39 4.729,40 3.622,41 3.791,42 5.534,43 3.637,44 4.525,45 4.769,46 3.497,47 3.723,48 5.481,49 3.525,50 4.376,51 4.636,52 3.341,53 3.517,54 5.268,55 3.379,56 0.005,57 0.615,58 10.223,59 4.843,60 7.347,61 5.922,62 0.207,63 1.027,64 21.721,65 8.351,66 19.909,67 9.926,68 0.291,69 1.191,70 26.949,71 10.503,72 31.076,73 12.412,74 0.211,75 1.246,76 29.515,77 11.325,78 35.39,79 13.787,80 0.315,81 1.206,82 30.909,83 10.847,84 37.009,85 13.52,86 0.233,87 1.036,88 25.254,89 9.316,90 34.963,91 11.05,92 0.42,93 1.028,94 27.37,95 9.797,96 46.506,97 12.179,98 0.2,99 0.864,100 21.747,101 7.448,102 24.95,103 9.776,104 21,105 36,106 0.265,107 0.571,108 0.746,109 0.812,110 0.819,111 0.827,112 3.228,113 1.036,114 -3.65,115 -3.62,116 -3.45,121 41.3,123 3,126 3,129 1,144 4,145 2,146 3,147 2,158 1,176 6,180 3,187 9,189 2,191 1,192 6,200 7,203 1,206 5,214 3,216 1,219 6,227 5,229 1,239 7,243 2,244 2,246 1,251 4,256 2,264 4,266 2,269 2,279 1,281 824,282 16.273,283 16.273,284 16.273,285 16.273,286 16.273,287 14.643,288 19.421,289 9.452,290 16.866,291 12.691,292 12.691,293 12.691,294 12.691,295 12.691,296 10.048,297 17.96,298 4.341,299 13.457,300 3.991,301 2.223,302 1.212,303 0.832,304 0.788,305 0.745,306 3.908,310 1,311 1,312 1,313 554,314 3.24,317 53.951,318 152.517,321 102.086,325 1.729,326 18.871,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 51.5,338 261,339 4.433,340 4.688,341 6.437,342 4.067,343 3.12,344 4.091,345 3.389,346 10.099,347 2.95,348 4.03,349 3.68,350 6.068,351 3.717,352 2.752,353 3.616,354 1.975,355 8.762,356 2.669,357 3.96,358 3.173,359 5.708,360 3.573,361 2.609,362 3.252,363 0.86,364 7.485,365 2.516,366 3.647,367 2.803,368 5.406,369 3.293,370 2.323,371 2.919,372 0.86,373 7.105,374 2.226,375 3.403,376 2.726,377 4.889,378 3.018,379 2.075,380 2.683,382 5.69,383 1.944,384 3.093,385 2.38,386 4.717,387 2.698,388 1.771,389 2.285,391 5.118,392 1.628,393 2.5,394 2.287,395 4.111,396 2.24,397 1.278,398 1.5,400 3.475,401 1.207,402 2.472,403 2.096,404 3.943,405 1.984,406 1.136,407 1.428,409 2.841,410 0.983,411 2.223,412 1.108,413 3.414,414 1.983,415 1,416 1.204,418 2.275,419 0.946,420 1.818,421 1.054,422 3.045,423 1.539,424 0.525,425 0.625,427 1.183,428 0.524,429 1.473,430 1,431 2.887,432 1.208,433 0.356,434 0.387,436 0.484,437 0.301,438 1.388,439 0.822,440 2.739,441 1.121,442 0.241,443 0.271,445 0.458,446 0.209,447 1.096,448 0.382,449 2.404,450 0.773,451 -0.217,452 -0.264,454 -0.461,455 -0.213,456 0.705,457 0.184,458 2.31,459 0.294,460 -0.664,461 -0.801,463 -1.543,464 -0.615,465 0.5,466 -0.006,467 2,468 0.18,469 -0.709,470 -0.841,472 -1.835,473 -0.621,474 11.733,475 0.489,476 0.571,477 0.024,478 29,479 1.208,480 14,481 0.583,482 15,483 0.625,484 20.596,485 0.858,486 26.367,487 0.573,488 19.694,489 0.821,490 5.64,491 0.235,492 5.961,493 0.248,494 0.156,496 0.332,501 0.766,502 1.256,503 0.767,504 1.047,505 0.584,506 0.999,507 1.22,508 0.805,509 0.957,510 0.796,511 0.757,512 0.774,513 0.946,514 1.133,515 1.188,516 1.223,517 1.244,518 1.139,519 0.993,520 1.209,521 1.138,522 1.26,523 1.339,524 1.207,525 1.084,526 0.897,527 0.931,528 0.931,529 0.853,530 0.9,531 1.25,532 1.087,533 1.27,534 1.161,535 1.688,536 1.132,537 0.451,538 1.014,539 1.191,540 1.17,541 0.82,542 1.048,543 0.876,544 0.889,545 0.831,546 0.874,547 0.763,548 0.809,549 5.5,550 0.134,551 2.889,552 1.417,553 1.552,554 0.813,555 0.481,556 0.334,557 0.159,558 0.116,559 6571,560 16470,561 2.04,562 47.8,563 2,564 14,566 2,568 2,569 2,572 1.665,573 1.895,574 3.42,575 -0.782,576 1,577 1,582 70.511,583 1.533,584 3.3,585 4.311,586 4.692,587 4.735,588 4.779,589 2.928,590 3.918,591 4.554,592 3.568,593 984.879,594 7.84,595 11791.2,597 1,599 1,600 254.084,601 1.459,602 4.507,603 0.212,604 0.01,605 0.08,606 0.039,607 0.052,608 0.03,609 0.02,610 0.016,611 0.008,612 0.007,613 0.474,614 0.33,615 1,616 0.921,617 115.44,618 0.003,619 -0.144,620 0.082,621 -0.034,622 -0.001,623 -0.007,624 -0.156,625 0.278,626 0.082,627 0.248,628 -0.045,629 0.2,630 0.037,631 -0.083,632 -0.102,633 -0.122,634 -0.082,635 -0.14,636 -0.047,637 -0.23,638 -0.122,639 -0.224,640 -0.124,641 -0.211,642 -0.042,643 0.046,644 0.081,645 0.049,646 0.057,647 0.081,648 -0.161,649 -0.083,650 -0.164,651 -0.095,652 -0.132,653 -0.147,654 0.342,655 -0.036,656 -0.021,657 -0.064,658 0.247,659 -0.025,660 0.015,661 0.05,662 0.135,663 0.078,664 0.127,665 0.178,666 1.359,667 5.575,668 0.625,669 22.556,670 0.999,671 1.118,672 2.421,673 5.86,674 0.674,675 3.296,676 3.611,677 3.871,678 4.094,679 4.331,680 4.382,681 4.443,682 4.564,683 4.477,684 4.357,685 6.367,686 0.628,687 344.49,688 3.296,689 4.828,690 5.673,691 6.544,692 7.41,693 8.286,694 9.161,695 10.04,696 10.92,697 11.803,698 2.2,708 1,715 6,720 5,721 1,722 12,739 2,741 46,743 13,744 1,745 26,747 48,748 19,749 11,750 4,751 2,756 3,757 4,767 2,770 4,772 12,773 7,777 1,782 1,786 1,789 1,790 1,793 22,794 3,796 5,797 1,802 1,803 1,808 0.667,809 3,822 1,828 1,829 2,832 1,841 1,859 2,860 1,862 1,864 3,868 24,876 3,878 2,879 1,880 1,893 6.5,896 1,898 2,901 12.667,902 9.25,903 5.417,904 2.694,907 2.139,908 1.304,909 0.951,910 5.465,911 9.173,912 3.526,913 4.094,914 4.61,915 5.089,916 5.624,917 5.717,918 5.842,919 6.096,920 6.113,921 6.009,922 1,923 36,924 8.893,926 3.694,927 0.026,929 7.653,931 17.22,933 14.017,936 2.153,937 51.667,940 1,941 258.964,942 149.528,943 1.899,945 47.145,947 32.22,948 117.308,949 306.109,950 1.899,951 30.162,952 7.604,953 37.905,954 55.72,955 58.503,957 267.642,959 258.964,960 119.207,961 47.145,962 32.22,964 235.422,965 70.687,968 25.698,969 91.61,970 1.899,971 32.22,972 258.964,973 49.044,974 149.528,977 258.964,978 63.365,979 88.061,981 47.145,982 258.964,983 49.044,984 149.528,986 0.577,987 0.345,988 0.178,989 0.102,990 17,991 8,992 0.125,993 6,994 1,995 1.133,996 3.643,997 188.389,998 0.133,999 15,1000 106.039,1001 1,1005 17.308,1006 7.578,1007 3.95,1009 47.145,1010 12.13,1015 4.932,1016 1.996,1018 457.536,1019 33,1024 12.575,1028 0.308,1031 45.938,1032 51.406,1034 0.278,1035 0.598,1036 0.78,1037 0.849,1038 0.857,1039 0.865,1040 4.762,1041 1.136,1042 5.659,1043 3.475,1044 4.29,1045 4.779,1046 3.491,1047 6.454,1048 4.187,1049 5.957,1050 1,1051 7.213,1052 2.841,1053 3.892,1054 4.605,1055 2.036,1056 7.31,1057 3.751,1058 7.26,1059 0.525,1060 8.86,1061 2.275,1062 5.878,1063 6.919,1064 5.624,1065 10.363,1066 5.691,1067 8.596,1068 0.356,1069 10.559,1070 1.183,1071 6.275,1072 7.506,1073 4.168,1074 12.008,1075 6.034,1076 9.96,1077 0.241,1078 12.291,1079 0.484,1080 7.73,1081 9.328,1082 7.986,1083 14.575,1084 7.458,1085 11.342,1086 -0.217,1087 14.045,1088 0.458,1089 8.491,1090 10.267,1091 6.596,1092 16.563,1093 8.154,1094 12.738,1095 -0.664,1096 15.815,1097 -0.461,1098 9.735,1099 11.881,1100 10.393,1101 18.956,1102 9.366,1103 3.12,1104 -0.709,1105 17.598,1106 -1.543,1107 10.675,1108 13.01,1109 9.16,1110 21.105,1111 10.237,1112 2.752,1113 10.099,1114 19.39,1115 -1.835,1116 11.833,1117 14.521,1118 12.812,1119 23.433,1120 11.358,1121 2.609,1122 8.762,1123 21.19,1124 4.091,1125 12.862,1126 15.76,1127 11.751,1128 25.659,1129 12.318,1130 2.323,1131 7.485,1132 22.997,1133 3.616,1134 13.988,1135 17.217,1136 15.235,1137 27.964,1138 13.399,1139 2.075,1140 7.105,1141 24.809,1142 3.252,1143 15.061,1144 18.522,1145 14.332,1146 30.228,1147 14.407,1148 1.771,1149 5.69,1150 26.627,1151 2.919,1152 16.178,1153 19.95,1154 17.659,1155 32.528,1156 15.473,1157 1.278,1158 5.118,1159 28.448,1160 2.683,1161 17.275,1162 21.294,1163 16.895,1164 34.811,1165 16.507,1166 6443,1167 10320,1168 17.107,1169 31.012,1170 38.416,1171 41.916,1172 40.325,1173 38.267,1174 38.372,1175 48.52,1176 14.168,1177 109.946,1178 36.203,1179 5.37,1180 6.688,1181 5.978,1182 5.183,1183 5.12,1184 7.091,1185 6.716,1186 16.854,1187 4.95,1188 12.659,1189 1.478,1190 1.612,1191 1.551,1192 1.472,1193 1.476,1194 1.866,1195 0.545,1196 4.229,1197 1.392,1198 4.016,1199 4.043,1200 4.136,1201 3.977,1202 7.426,1203 3.949,1204 3.944,1205 3.976,1206 3.89,1207 3.839,1208 4.922,1209 3.842,1210 3.642,1211 3.671,1212 3.623,1213 3.496,1214 4.79,1215 3.499,1216 3.39,1217 3.444,1218 3.352,1219 3.224,1220 4.495,1221 3.212,1222 3.247,1223 3.314,1224 3.07,1225 2.963,1226 4.334,1227 2.968,1228 3.185,1229 3.254,1230 3.038,1231 2.958,1232 4.013,1233 2.961,1234 3.009,1235 3.104,1236 2.879,1237 2.809,1238 3.714,1239 2.783,1240 2.854,1241 2.925,1242 2.759,1243 2.742,1244 3.674,1245 2.715,1246 0.17,1247 0.18,1248 0.248,1249 0.156,1250 0.12,1251 4.433,1252 0.157,1253 4.688,1254 0.13,1255 6.437,1256 0.388,1257 4.067,1258 0.113,1259 3.12,1260 4.091,1261 3.389,1262 10.099,1263 2.95,1264 1.928,1265 1.886,1266 2.061,1267 2.075,1268 1.272,1269 2.074,1270 1.868,1271 1.858,1272 1.95,1273 1.965,1274 1.168,1275 1.96,1276 1.636,1277 1.607,1278 1.798,1279 1.802,1280 1.013,1281 1.811,1282 1.347,1283 1.282,1284 1.615,1285 1.558,1286 0.861,1287 1.584,1288 1.201,1289 1.143,1290 1.575,1291 1.52,1292 0.581,1293 1.537,1294 1.188,1295 1.11,1296 1.522,1297 1.451,1298 0.575,1299 1.488,1300 1.078,1301 0.993,1302 1.425,1303 1.3,1304 0.548,1305 1.354,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.236,1311 1.107,1312 3.97,1314 5.283,1315 2.398,1316 6.788,1317 4.727,1318 8.378,1319 6.843,1320 10.013,1322 5.255,1328 2.135,1330 10.698,1331 1.641,1332 -0.003,1340 28.884,1341 70.511,1342 151.819,1343 198.309,1344 215.819,1345 217.819,1346 219.819,1347 41.647,1348 7.034,1349 39.41,1350 64.71,1351 17,1352 12.338,1353 3.807,1354 3,1355 39.49,1356 91,1357 96,1358 0.213,1359 181.731,1360 317.1,1361 435.183,1362 10117,1364 17.104,1365 0.713,1366 0.63,1367 17.458,1368 15.112,1369 11.601,1370 0.446,1371 0.345,1372 8.046,1373 10.661,1374 7.671,1375 6.392,1376 12.009,1377 8.982,1378 10.24,1379 0.284,1380 0.203,1381 10.882,1382 7.322,1383 8.775,1384 0.187,1385 0.122,1386 9.612,1387 5.729,1388 6.816,1389 0.116,1390 0.071,1391 7.688,1392 4.217,1393 5.699,1394 0.076,1395 0.041,1396 6.51,1397 3.043,1398 0.338,1399 77.193,1400 0.242,1401 23.691,1402 0.571,1403 124,1404 354.4,1405 159.232,1406 354.246,1407 478.94,1408 334,1409 145,1410 325.099,1411 179.187,1412 345.751,1413 501.84,1414 322,1415 6.048}
{0 CHEMBL366205,1 1.689,2 7.3,3 4.082,4 16.663,5 80.707,6 14.286,7 0.571,8 3.46,9 3.5,10 3.566,11 3.174,12 4.837,13 3.152,14 3.86,15 3.908,16 4.051,17 3.552,18 5.28,19 3.513,20 4.159,21 4.231,22 4.165,23 3.656,24 5.76,25 3.607,26 4.15,27 4.235,28 4.1,29 3.491,30 5.869,31 3.467,32 4.024,33 4.1,34 4.324,35 3.31,36 5.892,37 3.339,38 3.774,39 3.834,40 3.964,41 3.216,42 5.389,43 3.184,44 3.685,45 3.777,46 3.792,47 3.183,48 5.202,49 3.093,50 3.673,51 3.813,52 4.003,53 3.106,54 5.026,55 2.935,56 0.169,57 0.271,58 4.291,59 2.064,60 27.548,61 1.843,62 0.21,63 0.407,64 7.938,65 3.233,66 34.777,67 3.17,68 0.48,69 0.554,70 35.714,71 6.036,72 79.873,73 5.149,74 0.653,75 0.573,76 26.132,77 5.92,78 116.116,79 4.75,80 0.709,81 0.494,82 16.178,83 5.607,84 117.611,85 3.86,86 0.415,87 0.366,88 19.271,89 4.329,90 62.741,91 2.761,92 0.35,93 0.358,94 9.344,95 3.409,96 56.125,97 2.958,98 0.367,99 0.348,100 26.429,101 4.931,102 42.867,103 4.067,104 37,105 30,106 0.324,107 0.6,108 0.666,109 0.731,110 0.731,111 0.731,112 3.058,113 1.006,114 -4.27,115 -4.21,116 -3.98,119 2,121 50,144 6,145 2,146 4,159 2,176 4,180 2,185 4,187 8,191 1,192 4,197 4,200 9,206 4,209 2,214 2,219 6,222 2,224 4,227 3,232 4,237 2,239 6,248 1,249 2,251 5,261 4,264 4,277 4,281 460,282 12.776,283 12.776,284 12.776,285 12.776,286 12.776,287 10.997,288 9.349,289 7.29,290 13.123,291 10.269,292 10.269,293 10.269,294 10.269,295 10.269,296 7.559,297 5.658,298 3.426,299 10.943,300 3.118,301 1.679,302 1.34,303 1,304 1,305 1,306 3.705,311 1,312 1,313 298,314 3,318 137.262,325 1.1,326 36.795,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 43.5,338 146,339 4.51,340 3.862,341 6.728,342 4.174,343 3.161,344 4.129,346 10.756,347 3.203,348 4.242,349 3.176,350 6.255,351 3.816,352 2.848,353 3.904,355 9.218,356 2.75,357 3.74,358 2.933,359 5.374,360 3.278,361 2.332,362 3.141,364 6.496,365 2.185,366 3.454,367 2.78,368 4.934,369 2.952,370 2.095,371 2.774,373 5.703,374 1.678,375 3.322,376 2.523,377 4.892,378 2.849,379 1.955,380 2.583,382 5.423,383 1.609,384 2.958,385 2.453,386 4.468,387 2.525,388 1.531,389 2.099,391 4.125,392 1.497,393 2.591,394 1.349,395 3.945,396 2.093,397 1.077,398 1.596,400 2.88,401 1.092,402 2.239,403 1.348,404 3.295,405 1.612,406 0.541,407 0.838,409 1.264,410 0.565,411 1.363,412 0.698,413 2.557,414 0.923,415 0.083,416 0.1,418 0.179,419 0.055,420 1.357,421 0.695,422 2.368,423 0.879,429 0.695,430 -0.024,431 2.365,432 0.206,433 -0.762,434 -0.968,436 -2.023,437 -0.508,438 0.686,439 -0.172,440 2.15,441 0.206,442 -0.773,443 -1.031,445 -2.023,446 -0.539,447 0.251,448 -0.428,449 1.827,450 -0.218,451 -1,452 -1.271,454 -2.562,455 -0.86,456 0.2,457 -0.717,458 1.453,459 -0.258,460 -1,461 -1.293,463 -2.579,464 -0.868,465 0.11,466 -0.926,467 1.324,468 -0.297,469 -1.349,470 -2,472 -3.691,473 -1.358,474 11,475 0.55,476 0.689,477 0.034,478 27.5,479 1.375,480 16,481 0.8,482 11.5,483 0.575,484 15.741,485 0.787,486 19.6,487 0.7,488 18.416,489 0.921,490 5.2,491 0.26,492 4.197,493 0.21,494 0.364,496 0.364,501 0.807,502 0.719,503 0.482,504 0.509,505 0.802,506 0.578,507 0.676,508 1.041,509 0.615,510 0.726,511 0.671,512 0.787,513 0.989,514 1.156,515 1.063,516 1.11,517 0.895,518 1.092,519 1.275,520 1.082,521 0.82,522 0.896,523 1.313,524 0.96,525 1.176,526 0.88,527 0.786,528 0.932,529 1.504,530 0.739,531 1.364,532 1.001,533 1.142,534 1.159,535 1.538,536 1.069,537 0.96,538 1.04,539 0.783,540 0.782,541 0.862,542 1.017,543 0.911,544 1.059,545 1.547,546 1.35,547 0.73,548 1.308,549 5,551 3.111,552 1.875,553 1.627,554 0.639,555 0.367,556 0.25,557 0.14,558 0.031,559 3169,560 15045,561 1.911,562 28.6,564 6,567 2,572 1.623,573 1.714,574 2.925,575 0.41,577 1,582 47.303,583 1.689,584 3.128,585 3.468,586 3.807,587 3.807,588 3.807,589 2.246,590 2.922,591 4.298,592 3.027,593 575.065,594 7.367,595 5819.92,597 1,599 1,600 134.606,601 1.571,602 4.201,603 0.238,605 0.104,606 0.059,607 0.058,608 0.025,609 0.018,610 0.015,611 0.012,612 0.008,613 0.536,614 0.33,615 1,616 0.737,617 87.056,618 -0.133,619 0.193,620 -0.01,621 0.114,622 -0.159,623 0.099,624 -0.036,625 -0.145,626 -0.007,627 -0.037,628 -0.035,629 -0.057,630 -0.074,631 -0.22,632 -0.153,633 -0.206,634 0.028,635 -0.21,636 -0.081,637 -0.084,638 -0.063,639 -0.001,640 -0.04,641 -0.05,642 0.19,643 0.138,644 0.081,645 0.034,646 0.059,647 0.192,648 -0.234,649 -0.044,650 -0.118,651 -0.182,652 -0.287,653 -0.196,654 -0.033,655 -0.074,656 -0.005,657 0.091,658 -0.033,659 -0.095,660 -0.01,661 -0.093,662 -0.082,663 -0.103,664 -0.039,665 -0.096,666 2.558,667 5.125,668 0.6,669 12.2,670 1.042,671 1.093,672 3.044,673 9.268,674 0.797,675 3.091,676 3.434,677 3.664,678 3.85,679 4.043,680 3.85,681 3.784,682 3.761,683 3.638,684 3.555,685 4.686,686 0.769,687 400.02,688 3.091,689 4.635,690 5.476,691 6.354,692 7.217,693 8.094,694 8.965,695 9.841,696 10.714,697 11.591,715 6,720 6,722 12,727 2,738 2,740 2,741 28,743 14,744 2,745 21,746 2,747 29,748 14,749 12,750 6,751 6,752 2,756 2,757 2,772 14,777 2,782 2,786 2,790 1,793 8,794 4,795 2,796 6,797 2,808 1,809 4,829 2,859 2,863 2,868 20,875 2,892 2,893 14.3,895 2,896 2,901 11.667,902 5.019,903 4.389,904 1.456,907 2.21,908 1.358,909 0.925,910 4.504,911 8.384,912 3.401,913 4.025,914 4.59,915 5.08,916 5.581,917 5.533,918 5.664,919 5.82,920 5.915,921 6.157,922 0.8,923 32,924 7.436,926 3.29,927 0.026,929 8.342,931 13.218,933 10.534,936 2.842,937 56.833,941 70.627,942 79.606,943 91.908,945 135.657,948 171.514,949 206.283,953 56.857,954 145.923,955 12.481,957 70.627,958 91.908,959 70.627,960 79.606,961 135.657,963 91.908,964 70.627,965 135.657,969 79.606,971 91.908,972 70.627,973 135.657,974 171.514,977 70.627,978 22.748,979 56.857,980 91.908,981 135.657,982 70.627,983 135.657,984 171.514,986 0.596,987 0.352,988 0.178,989 0.103,990 14,991 8,992 0.103,993 3,995 1,996 3.036,997 147.071,999 12,1000 66.439,1005 15.072,1006 5.977,1007 3.241,1009 135.657,1010 8.423,1015 0.296,1017 85.367,1018 377.797,1019 29,1024 24.25,1028 -1.783,1031 29.185,1032 30.597,1034 0.351,1035 0.651,1036 0.721,1037 0.792,1038 0.792,1039 0.792,1040 4.635,1041 0.541,1042 5.501,1043 2.88,1044 4.111,1045 4.71,1047 6.33,1048 4.015,1049 5.882,1050 0.083,1051 7.091,1052 1.264,1053 3.892,1054 4.663,1056 7.29,1057 3.704,1058 7.21,1060 8.778,1061 0.179,1062 5.733,1063 6.931,1065 10.386,1066 5.617,1067 8.571,1068 -0.762,1069 10.52,1071 6.256,1072 7.614,1074 12.127,1075 6.119,1076 9.958,1077 -0.773,1078 12.295,1079 -2.023,1080 7.644,1081 9.413,1083 14.782,1084 7.552,1085 11.365,1086 -1,1087 14.095,1088 -2.023,1089 8.497,1090 10.437,1092 16.858,1093 8.419,1094 12.788,1095 -1,1096 15.914,1097 -2.562,1098 9.72,1099 12.038,1101 19.343,1102 9.669,1103 3.161,1104 -1.349,1105 17.747,1106 -2.579,1107 10.724,1108 13.236,1110 21.571,1111 10.697,1112 2.848,1113 10.756,1114 19.592,1115 -3.691,1116 11.885,1117 14.742,1119 23.985,1120 11.879,1121 2.332,1122 9.218,1123 21.446,1124 4.129,1125 12.959,1126 16.032,1128 26.283,1129 12.975,1130 2.095,1131 6.496,1132 23.307,1133 3.904,1134 14.099,1135 17.489,1137 28.668,1138 14.135,1139 1.955,1140 5.703,1141 25.175,1142 3.141,1143 15.205,1144 18.83,1146 31,1147 15.262,1148 1.531,1149 5.423,1150 27.047,1151 2.774,1152 16.339,1153 20.261,1155 33.373,1156 16.416,1157 1.077,1158 4.125,1159 28.924,1160 2.583,1161 17.461,1162 21.63,1164 35.722,1165 17.558,1166 3291,1167 7242,1168 12.948,1169 22.33,1170 32.015,1171 34.606,1172 34.068,1173 31.663,1174 31.243,1175 42.323,1177 92.084,1178 29.267,1179 5.345,1180 5.862,1181 6.051,1182 5.174,1183 5.161,1184 7.129,1186 18.239,1187 5.203,1188 12.719,1189 1.525,1190 1.648,1191 1.622,1192 1.508,1193 1.488,1194 2.015,1196 4.385,1197 1.394,1198 3.986,1199 3.99,1200 6.882,1201 3.931,1202 7.497,1203 3.926,1204 3.863,1205 3.875,1206 6.879,1207 3.83,1208 7.352,1209 3.812,1210 3.398,1211 3.386,1212 3.896,1213 3.26,1214 6.471,1215 3.27,1216 2.968,1217 2.967,1218 3.724,1219 2.901,1220 6.466,1221 2.848,1222 2.952,1223 2.963,1224 3.301,1225 2.856,1226 4.617,1227 2.814,1228 2.871,1229 2.912,1230 2.775,1231 2.748,1232 4.59,1233 2.741,1234 2.618,1235 2.66,1236 2.666,1237 2.376,1238 3.643,1239 2.399,1240 2.357,1241 2.348,1242 2.666,1243 1.883,1244 3.623,1245 1.947,1246 0.215,1247 0.184,1248 0.32,1249 0.199,1250 0.151,1251 4.51,1252 0.197,1253 3.862,1255 6.728,1256 0.512,1257 4.174,1258 0.153,1259 3.161,1260 4.129,1262 10.756,1263 3.203,1264 1.93,1265 1.924,1266 1.972,1267 2.012,1268 1.104,1269 2.006,1270 1.847,1271 1.834,1272 1.902,1273 1.916,1274 1.04,1275 1.925,1276 1.289,1277 1.294,1278 1.358,1279 1.478,1280 0.364,1281 1.437,1282 0.873,1283 0.856,1284 1.115,1285 1.093,1286 0.184,1287 1.082,1288 0.87,1289 0.849,1290 1.019,1291 1.092,1292 0.099,1293 1.079,1294 0.849,1295 0.82,1296 0.945,1297 1.033,1298 0.012,1299 1.041,1300 0.519,1301 0.49,1302 0.779,1303 0.852,1305 0.847,1306 0.065,1307 0.055,1308 0.506,1309 0.594,1311 0.541,1312 3.761,1314 5.094,1316 6.621,1318 8.237,1320 9.898,1321 6.329,1327 19.319,1340 21.544,1341 47.303,1342 87.586,1343 97.096,1344 106.606,1345 106.606,1346 106.606,1347 58.41,1348 6.174,1349 74.6,1350 74.6,1351 12,1352 12.129,1353 3.907,1354 3.17,1355 36.194,1356 56,1357 46,1358 0.329,1359 146.67,1360 256.84,1361 349.635,1362 3037,1363 7.1,1364 14.861,1365 0.743,1366 0.655,1367 16.861,1368 13.103,1369 9.397,1370 0.447,1371 0.335,1372 5.498,1373 7.989,1374 5.293,1375 4.34,1376 10.551,1377 7.045,1378 8.837,1379 0.295,1380 0.194,1381 10.47,1382 5.813,1383 7.221,1384 0.19,1385 0.095,1386 8.269,1387 3.599,1388 5.398,1389 0.117,1390 0.051,1391 6.276,1392 2.347,1393 4.548,1394 0.081,1395 0.031,1396 5.968,1397 1.722,1398 0.494,1399 75.433,1400 0.278,1401 19.488,1402 0.968,1403 102,1404 383.079,1405 242.156,1406 440.979,1407 554,1408 402,1409 119,1410 330.8,1411 184.276,1412 360.635,1413 525.12,1414 338,1415 4}
{0 CHEMBL366931,1 1.51,2 11.444,3 2.51,4 6.3,5 67.75,6 6.2,8 3.773,9 3.914,10 3.123,11 3.095,12 4.792,13 3.069,14 4.35,15 4.572,16 3.316,17 3.378,18 5.448,19 3.281,20 4.544,21 4.829,22 3.232,23 3.423,24 5.408,25 3.296,26 4.454,27 4.713,28 3.198,29 3.295,30 5.491,31 3.222,32 4.365,33 4.61,34 3.17,35 3.188,36 5.553,37 3.128,38 4.207,39 4.439,40 3.049,41 3.118,42 5.274,43 3.052,44 4.204,45 4.432,46 2.962,47 3.045,48 5.471,49 2.968,50 4.047,51 4.307,52 2.74,53 3.009,54 4.91,55 2.88,56 0.042,57 0.499,58 10.427,59 3.491,60 5.328,61 5.281,62 0.602,63 0.655,64 19.002,65 5.121,66 49.615,67 8.1,68 0.477,69 0.68,70 22.217,71 5.411,72 42.034,73 9.133,74 0.448,75 0.604,76 20.912,77 4.317,78 53.966,79 7.59,80 0.745,81 0.529,82 19.731,83 3.977,84 73.336,85 6.69,86 0.302,87 0.476,88 16.21,89 3.922,90 36.275,91 6.351,92 0.63,93 0.445,94 16.736,95 3.695,96 80.423,97 5.874,98 0.224,99 0.438,100 13.409,101 3.563,102 24.52,103 5.804,104 44,105 18,106 0.278,107 0.458,108 0.662,109 0.698,110 0.698,111 0.698,112 2.955,113 1.15,114 -1.98,115 -2.04,116 -2.03,121 28.6,122 2,123 4,127 4,161 2,176 4,179 2,183 4,185 2,187 2,191 1,197 2,206 4,211 2,218 2,219 4,222 2,232 4,243 1,244 2,247 2,248 1,256 2,269 4,274 2,281 440,282 12.088,283 12.088,284 12.088,285 12.088,286 12.088,287 11.778,288 13.116,289 8.186,290 12.48,291 8.347,292 8.347,293 8.347,294 8.347,295 8.347,296 7.743,297 11.834,298 3.867,299 8.89,300 3.882,301 2.907,302 1.798,303 1.607,304 1.607,305 1.607,306 3.569,312 1,313 380,314 4.243,325 1.827,326 22.118,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 41,338 206,339 3.677,340 3.648,341 5.051,342 3.343,343 2.411,344 2.845,345 2.186,346 6.134,347 2.222,348 3.639,349 3.627,350 5.018,351 3.289,352 2.346,353 2.81,354 2.186,355 6.047,356 2.184,357 2.667,358 2.112,359 3.703,360 2.626,361 1.666,362 1.667,363 0.366,364 3.288,365 1.599,366 2.63,367 1.789,368 3.586,369 2.583,370 1.599,371 1.624,372 0.366,373 3.061,374 1.568,375 2.447,376 1.781,377 3.375,378 2.297,379 1.347,380 1.414,382 2.651,383 1.26,384 1.79,385 1.461,386 2.895,387 1.71,388 0.778,389 0.781,391 1.39,392 0.718,393 1.745,394 1.046,395 2.573,396 1.624,397 0.648,398 0.678,400 1.059,401 0.627,402 1.464,403 1.038,404 2.191,405 1.153,406 0.245,407 0.267,409 0.454,410 0.219,411 0.774,412 0.384,413 1.816,414 0.622,415 -0.351,416 -0.357,418 -0.57,419 -0.336,420 0.761,421 0.1,422 1.501,423 0.589,424 -0.42,425 -0.462,427 -0.676,428 -0.416,429 0.531,430 -0.151,431 1.352,432 0.24,433 -0.758,434 -0.903,436 -1.655,437 -0.743,439 -0.404,440 1,441 -0.215,442 -1.225,443 -1.367,445 -2.432,446 -1.241,447 -0.171,448 -0.907,449 0.729,450 -0.261,451 -1.25,452 -1.414,454 -2.456,455 -1.246,456 -0.43,457 -1.03,458 0.72,459 -0.568,460 -1.464,461 -1.722,462 -0.85,463 -3.296,464 -1.277,465 -0.707,466 -1.326,467 0.313,468 -0.797,469 -1.749,470 -1.93,471 -0.85,472 -3.674,473 -1.614,474 8.133,475 0.452,476 0.212,477 0.012,478 14,479 0.778,480 3,481 0.167,482 11,483 0.611,484 16.114,485 0.895,486 23.667,487 0.563,488 9.648,489 0.536,490 2.741,491 0.152,492 5.961,493 0.331,494 0.205,496 0.123,501 0.817,502 1.939,503 0.999,504 1.738,505 0.591,506 1.431,507 0.632,508 1.221,509 1.022,510 1.262,511 0.45,512 1.238,513 0.874,514 1.004,515 0.845,516 0.94,517 0.764,518 0.889,519 1.428,520 1.05,521 1.1,522 0.95,523 1.575,524 0.938,525 1.404,526 0.66,527 1.153,528 0.72,529 1.613,530 0.85,531 1.413,532 1.167,533 1.037,534 1.139,535 1.3,536 1.028,537 1.6,538 0.719,539 1.234,540 0.806,541 1.444,542 0.95,543 1.008,544 1.186,545 1.039,546 1.174,547 0.875,548 1.123,549 2.5,550 0.05,551 1.111,552 0.625,553 0.4,554 0.222,555 0.163,556 0.094,557 0.074,558 0.06,559 2841,560 7415,561 1.793,562 57.1,563 10,564 8,567 2,569 4,572 1.576,573 1.688,574 3.52,575 0.483,582 63.419,583 1.51,584 2.485,585 3.594,586 3.785,587 3.785,588 3.785,589 2.948,590 3.17,591 4.135,592 3.642,593 557.267,594 6.973,595 5989.82,600 226.477,601 1.224,602 4.102,603 0.147,604 0.006,605 0.062,606 0.037,607 0.025,608 0.015,609 0.012,610 0.008,611 0.007,612 0.007,613 0.325,614 0.5,615 0.88,616 2.948,617 81.629,618 -0.047,619 -0.365,620 0.01,621 -0.265,622 -0.019,623 -0.125,624 0.353,625 -0.051,626 -0.015,627 -0.153,628 0.238,629 -0.176,630 0.034,631 -0.072,632 0.11,633 0.011,634 -0.009,635 0.074,636 -0.217,637 -0.094,638 -0.059,639 -0.05,640 -0.204,641 -0.015,642 0.043,643 0.272,644 -0.055,645 0.128,646 -0.063,647 0.031,648 -0.164,649 -0.191,650 -0.002,651 -0.115,652 -0.063,653 -0.031,654 -0.04,655 0.181,656 -0.13,657 0.104,658 0.118,659 -0.038,660 -0.105,661 -0.16,662 -0.079,663 -0.128,664 -0.081,665 -0.101,666 2.14,667 4.084,669 17.481,670 1.006,671 1.152,672 0.754,673 0.569,674 0.576,675 2.89,676 2.944,677 2.89,678 2.833,679 2.773,680 2.708,681 2.565,682 2.398,683 2.303,684 2.197,685 6.608,686 0.54,687 260.38,688 2.89,689 4.263,690 4.949,691 5.673,692 6.378,693 7.111,694 7.824,695 8.559,696 9.277,697 10.014,698 4.8,705 2,741 42,743 2,745 17,747 41,748 12,763 2,770 4,772 2,773 10,777 2,782 2,786 2,793 24,794 6,795 2,796 6,802 2,809 4,856 2,864 2,868 18,876 8,877 2,878 2,893 9.5,896 2,898 2,901 10.667,902 7.667,903 4.583,904 2.958,907 0.185,908 1.036,909 0.845,910 12.081,911 5.333,912 2.996,913 3.135,914 3.091,915 3.045,916 2.996,917 2.944,918 2.89,919 2.565,920 2.485,921 2.398,922 0.875,923 17,924 6.667,926 2.452,927 0.026,929 8.019,931 12.585,933 8.787,936 2.519,937 45.333,938 0.001,941 258.964,942 54.71,943 36.022,945 72.29,948 54.71,949 331.254,950 36.022,951 17.65,952 59.556,954 50.29,955 22,956 13.525,957 258.964,959 258.964,960 90.731,961 72.29,964 211.88,965 119.374,968 77.206,969 13.525,972 258.964,973 108.311,974 54.71,977 258.964,978 37.059,979 17.65,980 36.022,981 72.29,982 258.964,983 108.311,984 54.71,986 0.511,987 0.256,988 0.117,989 0.059,990 2,991 2,992 0.268,993 11,996 3.185,997 92.29,1000 57.059,1005 17.195,1006 12.647,1007 12.496,1009 108.311,1017 36.022,1018 421.985,1019 19,1024 22.168,1028 -0.947,1031 42.232,1032 48.401,1034 0.28,1035 0.461,1036 0.667,1037 0.702,1038 0.702,1039 0.702,1040 4.094,1041 0.245,1042 4.779,1043 1.059,1044 3.611,1045 3.807,1046 2.894,1047 5.242,1048 3.486,1049 5.1,1050 -0.351,1051 6.125,1052 0.454,1053 2.565,1054 3.219,1055 2.389,1056 5.38,1057 2.431,1058 6.254,1059 -0.42,1060 7.564,1061 -0.57,1062 4.86,1063 5.342,1064 4.168,1065 8.376,1066 4.58,1067 7.438,1068 -0.758,1069 9.059,1070 -0.676,1071 4.615,1072 5.638,1073 4.269,1074 9.383,1075 4.301,1076 8.661,1077 -1.225,1078 10.592,1079 -1.655,1080 6.315,1081 7.155,1082 5.594,1083 11.772,1084 5.872,1085 9.904,1086 -1.25,1087 12.149,1088 -2.432,1089 6.512,1090 7.854,1091 5.979,1092 13.159,1093 6.02,1094 11.163,1095 -1.464,1096 13.724,1097 -2.456,1098 7.885,1099 9.111,1100 7.079,1101 15.279,1102 7.278,1103 2.411,1104 -1.749,1105 15.311,1106 -3.296,1107 8.34,1108 9.995,1109 7.623,1110 16.854,1111 7.678,1112 2.346,1113 6.134,1114 16.907,1115 -3.674,1116 9.522,1117 11.135,1118 8.595,1119 18.837,1120 8.754,1121 1.666,1122 6.047,1123 18.509,1124 2.845,1125 10.133,1126 12.103,1127 9.232,1128 20.512,1129 9.304,1130 1.599,1131 3.288,1132 20.115,1133 2.81,1134 11.199,1135 13.19,1136 10.129,1137 22.42,1138 10.272,1139 1.347,1140 3.061,1141 21.724,1142 1.667,1143 11.906,1144 14.196,1145 10.823,1146 24.151,1147 10.914,1148 0.778,1149 2.651,1150 23.336,1151 1.624,1152 12.901,1153 15.259,1154 11.675,1155 26.017,1156 11.815,1157 0.648,1158 1.39,1159 24.948,1160 1.414,1161 13.667,1162 16.283,1163 12.403,1164 27.78,1165 12.514,1166 3200,1167 5330,1168 10.515,1169 24.205,1170 22.235,1171 23.743,1172 22.902,1173 22.005,1174 22.079,1175 24.174,1176 10.21,1177 48.169,1178 20.793,1179 4.639,1180 5.314,1181 4.963,1182 4.439,1183 4.375,1184 4.845,1185 3.889,1186 10.911,1187 3.99,1188 10.781,1189 1.308,1190 1.397,1191 1.347,1192 1.294,1193 1.299,1194 1.422,1195 0.601,1196 2.833,1197 1.223,1198 3.766,1199 3.824,1200 3.653,1201 3.568,1202 7.437,1203 3.565,1204 3.704,1205 3.774,1206 3.567,1207 3.534,1208 7.432,1209 3.522,1210 3.579,1211 3.621,1212 3.422,1213 3.332,1214 4.568,1215 3.357,1216 3.419,1217 3.469,1218 3.303,1219 3.118,1220 4.311,1221 3.157,1222 3.267,1223 3.36,1224 3.075,1225 3.028,1226 4.209,1227 3.025,1228 3.037,1229 3.095,1230 2.817,1231 2.753,1232 4.123,1233 2.769,1234 2.93,1235 2.993,1236 2.727,1237 2.651,1238 3.876,1239 2.669,1240 2.522,1241 2.647,1242 2.205,1243 2.179,1244 3.819,1245 2.159,1246 0.216,1247 0.215,1248 0.297,1249 0.197,1250 0.142,1251 3.677,1252 0.167,1253 3.648,1254 0.129,1255 5.051,1256 0.361,1257 3.343,1258 0.131,1259 2.411,1260 2.845,1261 2.186,1262 6.134,1263 2.222,1264 1.705,1265 1.637,1266 1.973,1267 1.923,1268 1.255,1269 1.933,1270 1.7,1271 1.63,1272 1.972,1273 1.904,1274 1.254,1275 1.926,1276 1.498,1277 1.458,1278 1.745,1279 1.78,1280 0.976,1281 1.771,1282 1.31,1283 1.245,1284 1.609,1285 1.628,1286 0.754,1287 1.614,1288 1.249,1289 1.156,1290 1.591,1291 1.525,1292 0.752,1293 1.551,1294 0.952,1295 0.906,1296 1.213,1297 1.291,1298 0.26,1299 1.277,1300 0.853,1301 0.795,1302 1.167,1303 1.183,1304 0.253,1305 1.184,1306 0.511,1307 0.385,1308 0.982,1309 0.895,1310 0.088,1311 0.933,1312 3.555,1314 4.673,1316 5.932,1318 7.258,1320 8.621,1322 4.079,1328 5.221,1329 5.193,1330 9.619,1340 22.697,1341 63.419,1342 104.37,1343 150.968,1344 158.968,1345 158.968,1346 158.968,1347 70.075,1348 5.147,1349 76.66,1350 76.66,1352 10.671,1353 1.585,1354 1.585,1355 75.419,1356 71,1357 66,1358 0.511,1359 149.597,1360 268.04,1361 356.777,1362 859,1364 13.64,1365 0.758,1366 0.627,1367 13.64,1368 11.29,1369 8.702,1370 0.512,1371 0.383,1372 6.38,1373 8.158,1374 6.229,1375 5.314,1376 8.702,1377 6.515,1378 6.486,1379 0.36,1380 0.213,1381 6.486,1382 3.832,1383 4.245,1384 0.25,1385 0.126,1386 4.245,1387 2.149,1388 2.76,1389 0.172,1390 0.069,1391 2.76,1392 1.105,1393 1.766,1394 0.118,1395 0.037,1396 1.766,1397 0.562,1398 0.852,1399 56.091,1400 0.308,1401 19.376,1402 1.267,1403 70,1404 293.608,1405 85.619,1406 260.497,1407 328.26,1408 242,1409 70,1410 213.562,1411 82.41,1412 206.072,1413 294.88,1414 192,1415 6.444}
{0 CHEMBL367571,1 1.425,2 12.875,3 1.746,4 3.048,5 147.06,6 7.324,7 0.136,8 4.44,9 4.525,10 3.978,11 3.903,12 5.564,13 3.907,14 5.036,15 5.18,16 4.471,17 4.363,18 6.1,19 4.375,20 5.36,21 5.456,22 4.811,23 4.695,24 6.578,25 4.708,26 5.727,27 5.876,28 4.86,29 4.885,30 6.988,31 4.843,32 5.85,33 6.072,34 4.734,35 4.883,36 6.955,37 4.786,38 5.746,39 5.982,40 4.546,41 4.689,42 6.813,43 4.602,44 5.495,45 5.71,46 4.431,47 4.471,48 6.709,49 4.402,50 5.275,51 5.503,52 4.22,53 4.306,54 6.346,55 4.231,56 0.169,57 0.975,58 16.504,59 8.034,60 24.334,61 9.479,62 0.691,63 1.627,64 33.716,65 13.395,66 75.46,67 16.344,68 0.952,69 2.281,70 44.497,71 18.595,72 98.989,73 21.902,74 2.153,75 3.04,76 70.073,77 25.148,78 270.445,79 31.34,80 2.156,81 3.31,82 83.708,83 28.144,84 235.279,85 38.257,86 2.053,87 2.829,88 78.298,89 23.87,90 233.806,91 32.456,92 2.138,93 2.209,94 60.47,95 18.574,96 221.254,97 25.027,98 1.119,99 1.843,100 47.363,101 15.622,102 115.823,103 21.247,104 161,105 73,106 0.221,107 0.543,108 0.707,109 0.757,110 0.812,111 0.829,112 3.718,113 0.893,114 -2.41,115 -2.44,116 -2.39,121 39.5,122 4,123 3,125 2,126 4,132 3,137 2,138 1,140 3,144 2,145 1,146 3,158 1,160 1,176 7,179 1,180 14,185 5,187 11,191 2,192 14,195 1,197 8,200 20,205 4,206 12,209 3,210 1,211 5,214 16,218 3,219 17,222 3,224 5,227 13,231 1,232 10,235 1,239 9,243 7,244 11,247 2,249 2,251 8,255 2,256 7,261 2,264 7,268 2,269 7,274 1,277 4,281 2494,282 25.85,283 25.85,284 25.85,285 25.85,286 25.85,287 24.295,288 36.618,289 13.716,290 26.753,291 21.258,292 21.258,293 21.258,294 21.258,295 21.258,296 18.411,297 49.579,298 5.96,299 22.382,300 4.823,301 2.741,302 1.678,303 1.356,304 1.004,305 0.895,306 4.406,312 1,313 1101,314 4.899,318 420.737,322 375.529,325 2.044,326 77.618,329 0.75,330 0.67,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.85,337 90,338 515,339 5.31,340 4.543,341 9.392,342 5.266,343 4.287,344 4.382,345 1.674,346 20.41,347 4.194,348 4.734,349 3.969,350 8.48,351 4.648,352 3.683,353 4.167,354 1.277,355 16.119,356 3.549,357 4.49,358 3.728,359 7.504,360 4.099,361 3.138,362 3.934,363 1.151,364 12.164,365 3.015,366 4.326,367 3.545,368 6.576,369 3.993,370 3.025,371 3.658,372 0.86,373 10.459,374 2.926,375 4.026,376 3.375,377 6.473,378 3.87,379 2.9,380 3.216,381 0.86,382 10.015,383 2.802,384 3.85,385 3.057,386 6.41,387 3.477,388 2.508,389 3.077,390 0.86,391 8.647,392 2.414,393 3.73,394 2.852,395 6.014,396 3.402,397 2.44,398 2.913,399 0.86,400 8.501,401 2.343,402 3.355,403 2.699,404 5.862,405 3.082,406 2.118,407 2.604,409 7.134,410 2.023,411 3.312,412 2.567,413 5.19,414 2.972,415 2.061,416 2.39,418 6.118,419 1.867,420 3.141,421 2.555,422 5.042,423 2.825,424 1.854,425 2.164,427 5.54,428 1.775,429 2.913,430 2.026,431 4.728,432 2.418,433 1.481,434 1.975,436 4.432,437 1.377,438 2.548,439 1.952,440 4.587,441 2.267,442 1.337,443 1.475,445 3.819,446 1.229,447 2.202,448 1.689,449 4.454,450 2.01,451 1.096,452 1.155,454 2.809,455 0.991,456 2.137,457 1.59,458 4,459 1.89,460 0.982,461 1.078,463 2.221,464 0.875,465 1.644,466 1.231,467 3.831,468 1.489,469 0.533,470 0.556,472 1.467,473 0.502,474 18.333,475 0.458,476 1.671,477 0.042,478 41,479 1.025,480 15,481 0.375,482 26,483 0.65,484 57.257,485 1.431,486 46.467,487 0.611,488 42.379,489 1.059,490 7.842,491 0.196,492 10.832,493 0.271,494 0.291,495 0.136,496 0.273,501 0.848,502 1.293,503 0.793,504 1.255,505 0.791,506 1.05,507 1,508 0.838,509 0.65,510 0.793,511 0.718,512 0.655,513 1.077,514 1.254,515 0.918,516 1.218,517 1.077,518 1.056,519 1.113,520 1.186,521 1.177,522 1.191,523 1.274,524 1.2,525 0.856,526 1.062,527 0.995,528 1.071,529 0.947,530 1.071,531 1.133,532 0.89,533 1.013,534 0.887,535 1.393,536 0.913,537 0.967,538 0.877,539 0.971,540 0.884,541 0.939,542 0.921,543 0.904,544 0.963,545 0.878,546 0.955,547 0.963,548 0.917,549 13,550 0.413,551 10.444,552 7,553 6.373,554 2.806,555 1.724,556 1.142,557 0.763,558 0.596,559 21502,560 60764,561 1.961,562 47.4,563 9,564 16,567 2,569 9,572 1.802,573 1.733,574 3.564,575 0.149,582 108.299,583 1.425,584 3.507,585 4.57,586 4.892,587 5.244,588 5.353,589 3.116,590 4.534,591 5.291,592 3.754,593 2928.5,594 9.355,595 45904.8,600 474.842,601 1.923,602 5.169,603 0.295,604 0.01,605 0.143,606 0.071,607 0.067,608 0.035,609 0.026,610 0.019,611 0.015,612 0.014,613 0.696,614 0.33,615 0.63,616 0.986,617 219.264,618 -0.063,619 -0.073,620 0.05,621 -0.055,622 -0.109,623 0.014,624 -0.045,625 0.266,626 0.281,627 0.297,628 0.022,629 0.364,630 -0.037,631 -0.101,632 -0.002,633 -0.091,634 -0.033,635 -0.046,636 -0.011,637 -0.131,638 -0.208,639 -0.154,640 -0.01,641 -0.221,642 0.045,643 -0.087,644 -0.017,645 -0.088,646 0.044,647 -0.073,648 -0.096,649 0.038,650 0.01,651 0.046,652 -0.143,653 0.055,654 0.134,655 0.068,656 0.055,657 0.06,658 0.151,659 0.04,660 0.011,661 0.001,662 0.11,663 0.017,664 0.012,665 0.078,666 3.202,667 6.757,668 0.6,669 43.003,670 1.015,671 1.126,672 1.181,673 1.396,674 0.635,675 3.807,676 4.304,677 4.736,678 5.05,679 5.366,680 5.58,681 5.778,682 5.961,683 6.192,684 6.358,685 7.303,686 0.614,687 556.66,688 3.807,689 5.46,690 6.409,691 7.387,692 8.361,693 9.347,694 10.332,695 11.323,696 12.314,697 13.31,715 2,720 4,722 6,739 3,741 76,743 11,744 1,745 44,747 80,748 30,749 6,750 4,751 2,752 8,756 5,757 11,763 4,764 2,766 2,767 3,768 3,770 3,772 14,773 16,774 3,777 5,782 2,784 2,786 6,793 36,794 10,795 2,796 10,808 0.4,809 10,812 2,829 5,833 3,841 1,846 1,849 5,850 1,857 2,858 2,859 2,864 8,868 40,875 2,876 3,878 6,882 5,893 13.2,894 2,896 2,897 2,898 4,901 23.083,902 16.317,903 8.556,904 4.288,907 2.198,908 1.238,909 0.863,910 6.7,911 11.424,912 3.97,913 4.6,914 5.189,915 5.677,916 6.181,917 6.51,918 6.851,919 7.169,920 7.586,921 7.91,922 0.889,923 98,924 15.259,926 7.278,927 0.026,929 7.96,931 27.932,933 24.191,936 2.46,937 98.417,941 400.217,942 174.498,945 201.656,948 174.498,949 601.873,951 78.833,952 7.604,953 123.272,954 100.345,955 66.101,957 400.217,959 400.217,960 174.498,961 201.656,964 294.278,965 200.229,966 107.366,968 42.904,969 96.911,970 34.683,972 400.217,973 201.656,974 174.498,977 400.217,978 57.76,979 116.738,981 201.656,982 400.217,983 201.656,984 174.498,986 0.62,987 0.414,988 0.221,989 0.118,990 40,991 20,992 0.063,993 5,994 3,995 1.25,996 4.265,997 463.783,998 0.25,999 24,1000 202.877,1005 28.989,1006 9.245,1007 3.556,1009 201.656,1010 3.3,1015 1.619,1017 85.367,1018 776.371,1019 52,1024 27.195,1026 2.921,1028 -0.393,1031 77.178,1032 85.568,1034 0.228,1035 0.561,1036 0.731,1037 0.783,1038 0.839,1039 0.857,1040 5.364,1041 2.118,1042 6.55,1043 8.501,1044 4.99,1045 5.288,1046 2.914,1047 7.66,1048 4.905,1049 6.665,1050 2.061,1051 8.331,1052 7.134,1053 5.198,1054 5.509,1056 9.489,1057 5.1,1058 8.092,1059 1.854,1060 10.246,1061 6.118,1062 6.984,1063 7.526,1064 3.399,1065 12.758,1066 6.848,1067 9.557,1068 1.481,1069 12.246,1070 5.54,1071 7.966,1072 8.453,1074 15.394,1075 7.814,1076 11.059,1077 1.337,1078 14.304,1079 4.432,1080 9.416,1081 10.083,1082 4.121,1083 18.422,1084 9.239,1085 12.586,1086 1.096,1087 16.402,1088 3.819,1089 10.677,1090 11.289,1092 21.307,1093 10.481,1094 14.134,1095 0.982,1096 18.531,1097 2.809,1098 12.073,1099 12.796,1100 4.992,1101 24.302,1102 11.857,1103 4.287,1104 0.533,1105 20.681,1106 2.221,1107 13.435,1108 14.125,1110 27.265,1111 13.2,1112 3.683,1113 20.41,1114 22.849,1115 1.467,1116 14.839,1117 15.589,1118 5.941,1119 30.261,1120 14.585,1121 3.138,1122 16.119,1123 25.029,1124 4.382,1125 16.242,1126 16.976,1128 33.251,1129 15.969,1130 3.025,1131 12.164,1132 27.22,1133 4.167,1134 17.661,1135 18.426,1136 6.93,1137 36.253,1138 17.368,1139 2.9,1140 10.459,1141 29.418,1142 3.934,1143 19.083,1144 19.842,1146 39.255,1147 18.771,1148 2.508,1149 10.015,1150 31.623,1151 3.658,1152 20.513,1153 21.289,1154 7.938,1155 42.262,1156 20.182,1157 2.44,1158 8.647,1159 33.833,1160 3.216,1161 21.947,1162 22.722,1164 45.27,1165 21.596,1166 20891,1167 35250,1168 26.929,1169 48.25,1170 70.496,1171 73.607,1172 78.704,1173 69.206,1174 69.387,1175 80.273,1176 15.085,1177 244.177,1178 65.985,1179 6.31,1180 6.543,1181 8.934,1182 6.368,1183 6.287,1184 7.382,1185 3.349,1186 31.548,1187 6.194,1188 28.99,1189 1.602,1190 1.673,1191 1.789,1192 1.573,1193 1.577,1194 1.824,1195 0.343,1196 5.549,1197 1.5,1198 4.117,1199 4.129,1200 4.07,1201 4.018,1202 7.433,1203 4.027,1204 3.96,1205 3.964,1206 3.926,1207 3.872,1208 7.426,1209 3.882,1210 3.815,1211 3.823,1212 3.773,1213 3.692,1214 6.457,1215 3.707,1216 3.6,1217 3.623,1218 3.524,1219 3.462,1220 6.432,1221 3.47,1222 3.433,1223 3.482,1224 3.311,1225 3.28,1226 4.993,1227 3.277,1228 3.315,1229 3.367,1230 3.184,1231 3.112,1232 4.775,1233 3.119,1234 3.303,1235 3.355,1236 3.144,1237 3.076,1238 4.715,1239 3.081,1240 3.281,1241 3.336,1242 3.143,1243 3.006,1244 4.58,1245 3.026,1246 0.121,1247 0.103,1248 0.213,1249 0.12,1250 0.097,1251 5.31,1252 0.1,1253 4.543,1254 0.038,1255 9.392,1256 0.464,1257 5.266,1258 0.095,1259 4.287,1260 4.382,1261 1.674,1262 20.41,1263 4.194,1264 2.038,1265 2.024,1266 2.145,1267 2.156,1268 1.547,1269 2.15,1270 1.913,1271 1.907,1272 1.983,1273 2.026,1274 1.191,1275 2.009,1276 1.759,1277 1.746,1278 1.899,1279 1.911,1280 1.108,1281 1.9,1282 1.56,1283 1.532,1284 1.735,1285 1.735,1286 0.993,1287 1.732,1288 1.42,1289 1.37,1290 1.69,1291 1.617,1292 0.848,1293 1.642,1294 1.264,1295 1.211,1296 1.596,1297 1.558,1298 0.7,1299 1.565,1300 1.247,1301 1.191,1302 1.59,1303 1.549,1304 0.602,1305 1.565,1306 1.227,1307 1.163,1308 1.573,1309 1.516,1310 0.591,1311 1.534,1312 4.489,1314 5.943,1316 7.632,1318 9.438,1320 11.31,1322 12.748,1327 24.707,1328 0.105,1330 33.907,1334 -7.693,1340 46.63,1341 108.299,1342 266.516,1343 347.294,1344 371.784,1345 398.539,1346 406.803,1347 140.009,1348 9.225,1349 133.89,1350 133.89,1351 30,1352 13.773,1353 3.585,1354 3.17,1355 63.882,1356 183,1357 182,1358 0.184,1359 278.117,1360 521.64,1361 670.365,1362 133385,1364 29.466,1365 0.737,1366 0.602,1367 29.466,1368 24.091,1369 18.673,1370 0.424,1371 0.298,1372 12.814,1373 17.597,1374 12.205,1375 10.095,1376 18.673,1377 13.095,1378 18.572,1379 0.254,1380 0.16,1381 18.572,1382 11.712,1383 17.942,1384 0.159,1385 0.087,1386 17.942,1387 9.844,1388 14.66,1389 0.095,1390 0.046,1391 14.66,1392 7.165,1393 12.103,1394 0.057,1395 0.024,1396 12.103,1397 5.125,1398 0.283,1399 120.234,1400 0.193,1401 34.752,1402 0.526,1403 234,1404 744.184,1405 264.558,1406 679.741,1407 919.66,1408 634,1409 303,1410 674.061,1411 337.218,1412 676.886,1413 1015.11,1414 628,1415 6.377}
{0 CHEMBL367795,1 1.527,2 8.05,3 2.43,4 5.903,5 76.169,6 6.909,7 0.273,8 3.794,9 3.912,10 3.303,11 3.253,12 4.808,13 3.241,14 4.394,15 4.576,16 3.723,17 3.684,18 5.422,19 3.655,20 4.614,21 4.805,22 3.775,23 3.857,24 5.559,25 3.798,26 4.735,27 4.961,28 3.638,29 3.846,30 5.695,31 3.751,32 4.615,33 4.84,34 3.396,35 3.674,36 5.591,37 3.547,38 4.477,39 4.769,40 3.137,41 3.394,42 5.294,43 3.249,44 4.063,45 4.287,46 3.064,47 3.14,48 5.088,49 3.061,50 4.049,51 4.284,52 2.919,53 3.028,54 5.218,55 2.943,56 0.022,57 0.57,58 9.281,59 3.728,60 6.271,61 5.102,62 0.432,63 0.92,64 18.545,65 6.181,66 34.219,67 8.781,68 0.23,69 1.112,70 22.909,71 8.057,72 26.043,73 11.295,74 0.402,75 1.146,76 26.89,77 8.563,78 43.514,79 12.249,80 0.354,81 0.968,82 23.835,83 7.946,84 43.972,85 11.218,86 0.427,87 0.765,88 21.671,89 6.455,90 36.762,91 9.696,92 0.232,93 0.577,94 13.679,95 4.272,96 21.394,97 6.162,98 0.389,99 0.546,100 13.958,101 3.504,102 44.346,103 5.411,104 21,105 33,106 0.276,107 0.622,108 0.823,109 0.872,110 0.872,111 0.872,112 3.059,113 0.955,114 -3.1,115 -3.1,116 -2.98,121 37.5,122 2,123 1,125 1,126 1,127 2,130 1,144 3,145 1,146 2,161 1,176 5,179 2,180 7,183 2,185 1,187 6,192 8,200 5,206 7,211 2,214 3,218 1,219 5,224 2,227 2,231 1,232 1,237 1,239 2,243 1,244 2,247 1,249 2,251 2,255 1,259 1,264 1,269 1,277 2,281 444,282 13.333,283 13.333,284 13.333,285 13.333,286 13.333,287 12.517,288 21.293,289 7.678,290 13.762,291 10.788,292 10.788,293 10.788,294 10.788,295 10.788,296 9.421,297 26.939,298 3.513,299 11.423,300 3.795,301 1.888,302 0.775,303 0.507,304 0.507,305 0.507,306 3.73,310 1,311 1,312 1,313 346,314 3.391,317 69.757,318 39.696,320 56.212,321 60.599,324 84.264,325 1.255,326 18.415,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 44,338 161,339 4.809,340 3.969,341 7.956,342 4.681,343 3.705,344 4.198,345 2.186,346 15.054,347 3.62,348 3.957,349 3.662,350 6.18,351 3.612,352 2.662,353 3.29,354 1.138,355 8.773,356 2.531,357 3.667,358 2.757,359 5.942,360 3.399,361 2.459,362 2.863,363 0.643,364 7.809,365 2.288,366 3.435,367 2.723,368 5.421,369 3.143,370 2.2,371 2.596,372 0.366,373 6.852,374 2.059,375 3.115,376 2.382,377 4.782,378 2.808,379 1.868,380 2.215,382 5.304,383 1.741,384 2.521,385 1.616,386 4.199,387 2.17,388 1.222,389 1.527,391 3.026,392 1.156,393 2.202,394 1.511,395 3.705,396 2.013,397 1.061,398 1.191,400 2.64,401 0.999,402 2.121,403 1.15,404 3.649,405 1.979,406 1.019,407 1.076,409 1.789,410 0.969,411 1.687,412 0.981,413 3.129,414 1.542,415 0.618,416 0.647,418 1.519,419 0.566,420 1.204,421 0.69,422 3.024,423 0.861,424 -0.067,425 -0.078,427 -0.159,428 -0.061,429 0.719,430 0.034,431 2.564,432 0.437,433 -0.545,434 -0.601,436 -0.902,437 -0.52,438 0.653,439 -0.247,440 2.399,441 0.346,442 -0.615,443 -0.641,445 -1.552,446 -0.58,447 0.503,448 -0.392,449 2.206,450 0.261,451 -0.726,452 -0.897,454 -1.943,455 -0.724,456 0.344,457 -0.695,458 2.144,459 0.081,460 -0.91,461 -1.252,463 -2.707,464 -0.901,465 -0.27,466 -0.94,467 1.822,468 -0.402,469 -1.352,470 -1.416,472 -3.574,473 -1.258,474 9.3,475 0.465,476 0.613,477 0.031,478 22,479 1.1,480 8.5,481 0.425,482 13.5,483 0.675,484 17.813,485 0.891,486 23.1,487 0.578,488 14.863,489 0.743,490 4.151,491 0.208,492 5.407,493 0.27,494 0.197,495 0.054,496 0.312,501 0.819,502 1.535,503 0.831,504 1.307,505 0.644,506 1.099,507 0.82,508 0.893,509 0.805,510 0.825,511 0.493,512 0.805,513 1.058,514 1.209,515 0.992,516 1.146,517 0.765,518 1.068,519 1.255,520 0.997,521 1.143,522 1.031,523 0.981,524 1.057,525 1.155,526 1.177,527 1.202,528 1.264,529 1.405,530 1.257,531 0.922,532 0.777,533 0.801,534 0.764,535 0.828,536 0.768,537 1.075,538 1.153,539 0.997,540 1.117,541 1.269,542 1.065,543 1.32,544 0.989,545 1.227,546 0.936,547 2.458,548 1.032,549 5,550 0.02,551 3.333,552 2.799,553 0.961,554 0.615,555 0.375,556 0.303,557 0.164,558 0.069,559 3409,560 8430,561 2.036,562 50,563 3,564 10,565 1,567 1,569 5,572 1.619,573 1.86,574 2.949,575 -0.271,577 1,579 1,582 61.08,583 1.527,584 3.434,585 4.546,586 4.815,587 4.815,588 4.815,589 2.466,590 4.222,591 4.288,592 3.103,593 589.653,594 7.339,595 5812.3,596 1,597 1,599 1,600 212.877,601 1.72,602 4.22,603 0.227,604 0.007,605 0.101,606 0.082,607 0.034,608 0.031,609 0.023,610 0.02,611 0.014,612 0.01,613 0.549,614 0.83,615 1,616 1.545,617 86.99,618 -0.03,619 -0.248,620 0.074,621 -0.127,622 -0.058,623 -0.023,624 0.216,625 0.255,626 0.169,627 0.214,628 0.205,629 0.188,630 -0.105,631 -0.12,632 -0.04,633 -0.085,634 -0.028,635 -0.054,636 -0.19,637 0.009,638 -0.161,639 -0.046,640 -0.045,641 -0.087,642 -0.094,643 -0.222,644 -0.228,645 -0.263,646 -0.167,647 -0.274,648 0.078,649 0.047,650 0.196,651 0.15,652 0.011,653 0.188,654 0.033,655 -0.166,656 -0.004,657 -0.146,658 -0.02,659 -0.103,660 0.011,661 0.008,662 -0.186,663 -0.061,664 -0.11,665 -0.143,666 2.08,667 4.516,668 0.6,669 14.04,670 1.003,671 1.134,672 1.869,673 3.493,674 0.631,675 3.135,676 3.526,677 3.871,678 4.205,679 4.382,680 4.489,681 4.654,682 4.7,683 4.644,684 4.564,685 4.787,686 0.598,687 276.37,688 3.135,689 4.71,690 5.602,691 6.535,692 7.456,693 8.401,694 9.337,695 10.287,696 11.231,697 12.184,698 5,704 1,705 1,715 3,720 3,722 6,736 1,737 1,741 40,743 7,744 1,745 22,747 42,748 15,749 6,750 3,751 3,756 3,757 6,763 2,764 1,766 1,767 1,770 1,772 7,773 8,777 1,782 1,786 1,789 1,790 1,793 20,794 5,795 1,796 5,802 2,808 0.333,809 3,815 1,828 2,829 1,831 1,832 1,835 1,858 1,859 1,864 3,868 20,876 3,877 1,878 2,880 1,881 1,882 1,893 7.5,896 1,897 1,898 1,901 10.75,902 8.033,903 4.375,904 2.546,907 1.318,908 1.192,909 0.934,910 3.383,911 8.188,912 3.296,913 3.839,914 4.36,915 4.908,916 5.376,917 5.628,918 5.982,919 6.201,920 6.203,921 6.147,922 1,923 34,924 7.421,926 3.173,927 0.026,929 7.713,931 14.338,933 12.052,936 2.213,937 44.25,938 0.001,941 223.651,942 81.656,943 21.135,945 47.145,948 81.656,949 270.796,950 21.135,951 26.047,952 27.243,953 28.429,954 36.145,955 25.31,956 18.534,957 211.88,959 223.651,960 102.791,961 47.145,964 164.795,965 95,966 11,968 44.894,969 57.898,972 223.651,973 68.28,974 81.656,977 223.651,978 27.181,979 57.6,980 18.011,981 47.145,982 223.651,983 68.28,984 81.656,986 0.59,987 0.361,988 0.202,989 0.099,990 18,991 8,992 0.071,993 3,994 2,995 1.333,996 3.128,997 158.026,998 0.333,999 12,1000 86.439,1005 13.711,1006 4.935,1007 2.108,1009 68.28,1010 5.793,1015 2.932,1017 18.011,1018 373.587,1019 26,1024 11.516,1028 -0.414,1031 40.138,1032 45.362,1034 0.287,1035 0.645,1036 0.854,1037 0.905,1038 0.905,1039 0.905,1040 4.6,1041 1.019,1042 5.659,1043 2.64,1044 4.205,1045 4.522,1046 2.539,1047 6.627,1048 4.104,1049 5.815,1050 0.618,1051 7.326,1052 1.789,1053 4.111,1054 4.494,1055 1.847,1056 8.084,1057 4.009,1058 7.164,1059 -0.067,1060 9.116,1061 1.519,1062 5.989,1063 6.631,1064 3.585,1065 11.248,1066 5.826,1067 8.554,1068 -0.545,1069 10.986,1070 -0.159,1071 6.746,1072 7.388,1073 3.604,1074 13.571,1075 6.591,1076 9.985,1077 -0.615,1078 12.908,1079 -0.902,1080 8.191,1081 9.093,1082 4.933,1083 16.39,1084 7.998,1085 11.443,1086 -0.726,1087 14.869,1088 -1.552,1089 9.295,1090 10.194,1091 5.293,1092 18.99,1093 9.101,1094 12.924,1095 -0.91,1096 16.857,1097 -1.943,1098 10.623,1099 11.743,1100 6.395,1101 21.728,1102 10.405,1103 3.705,1104 -1.352,1105 18.866,1106 -2.707,1107 11.857,1108 13.008,1109 6.931,1110 24.408,1111 11.627,1112 2.662,1113 15.054,1114 20.892,1115 -3.574,1116 13.162,1117 14.494,1118 7.904,1119 27.127,1120 12.911,1121 2.459,1122 8.773,1123 22.928,1124 4.198,1125 14.443,1126 15.841,1127 8.54,1128 29.829,1129 14.175,1130 2.2,1131 7.809,1132 24.974,1133 3.29,1134 15.746,1135 17.299,1136 9.436,1137 32.543,1138 15.457,1139 1.868,1140 6.852,1141 27.027,1142 2.863,1143 17.044,1144 18.688,1145 10.13,1146 35.252,1147 16.734,1148 1.222,1149 5.304,1150 29.085,1151 2.596,1152 18.349,1153 20.133,1154 10.982,1155 37.964,1156 18.018,1157 1.061,1158 3.026,1159 31.147,1160 2.215,1161 19.654,1162 21.543,1163 11.71,1164 40.675,1165 19.301,1166 3439,1167 5481,1168 14.216,1169 25.228,1170 33.802,1171 35.138,1172 35.974,1173 33.592,1174 33.627,1175 39.207,1176 8.666,1177 105.534,1178 31.857,1179 5.773,1180 5.969,1181 7.728,1182 5.771,1183 5.705,1184 7.198,1185 3.889,1186 23.395,1187 5.62,1188 10.663,1189 1.536,1190 1.597,1191 1.635,1192 1.527,1193 1.529,1194 1.782,1195 0.394,1196 4.797,1197 1.448,1198 4.075,1199 4.102,1200 4.025,1201 3.98,1202 7.435,1203 3.986,1204 3.689,1205 3.726,1206 3.61,1207 3.524,1208 4.863,1209 3.531,1210 3.577,1211 3.641,1212 3.451,1213 3.36,1214 4.6,1215 3.368,1216 3.312,1217 3.399,1218 3.147,1219 3.079,1220 4.265,1221 3.085,1222 3.167,1223 3.218,1224 3.007,1225 2.906,1226 4.103,1227 2.908,1228 3.102,1229 3.182,1230 2.882,1231 2.854,1232 3.898,1233 2.873,1234 2.786,1235 2.859,1236 2.604,1237 2.644,1238 3.825,1239 2.623,1240 2.72,1241 2.817,1242 2.486,1243 2.517,1244 3.508,1245 2.498,1246 0.219,1247 0.18,1248 0.362,1249 0.213,1250 0.168,1251 4.809,1252 0.191,1253 3.969,1254 0.099,1255 7.956,1256 0.684,1257 4.681,1258 0.165,1259 3.705,1260 4.198,1261 2.186,1262 15.054,1263 3.62,1264 1.903,1265 1.884,1266 2.004,1267 1.994,1268 1.31,1269 1.995,1270 1.625,1271 1.572,1272 1.846,1273 1.82,1274 1.032,1275 1.828,1276 1.549,1277 1.471,1278 1.825,1279 1.797,1280 0.987,1281 1.806,1282 1.388,1283 1.328,1284 1.658,1285 1.654,1286 0.858,1287 1.657,1288 1.18,1289 1.11,1290 1.538,1291 1.462,1292 0.631,1293 1.482,1294 1.027,1295 0.983,1296 1.25,1297 1.363,1298 0.365,1299 1.341,1300 0.832,1301 0.747,1302 1.208,1303 1.11,1304 0.223,1305 1.153,1306 0.734,1307 0.651,1308 1.06,1309 0.967,1310 0.147,1311 1.001,1312 3.807,1314 5.176,1315 3.045,1316 6.751,1317 5.587,1318 8.431,1319 7.84,1320 10.173,1322 6.119,1328 2.312,1329 2.63,1330 11.139,1332 0.081,1333 2.165,1334 -0.023,1340 23.928,1341 61.08,1342 137.367,1343 181.858,1344 192.612,1345 192.612,1346 192.612,1347 30.024,1348 6.87,1349 50.8,1350 50.8,1351 16,1352 12.673,1353 3,1354 2.322,1355 29.972,1356 57,1357 70,1358 0.273,1359 146.343,1360 257.89,1361 348.837,1362 7269,1364 14.328,1365 0.716,1366 0.605,1367 14.328,1368 12.103,1369 9.559,1370 0.434,1371 0.318,1372 6.878,1373 9.067,1374 6.634,1375 5.51,1376 9.559,1377 7.007,1378 8.943,1379 0.271,1380 0.17,1381 8.943,1382 5.6,1383 7.764,1384 0.165,1385 0.091,1386 7.764,1387 4.289,1388 6.903,1389 0.105,1390 0.049,1391 6.903,1392 3.254,1393 5.044,1394 0.064,1395 0.026,1396 5.044,1397 2.065,1398 0.413,1399 60.73,1400 0.265,1401 19.5,1402 0.795,1403 110,1404 321.185,1405 124.542,1406 297.714,1407 409.27,1408 280,1409 135,1410 304.962,1411 149.297,1412 304.073,1413 455.06,1414 285,1415 7.086}
{0 CHEMBL368075,1 1.284,2 28.889,3 9.998,4 99.956,5 228.825,6 5.692,7 0.218,8 4.893,9 5.043,10 4.198,11 4.356,12 5.763,13 4.276,14 5.505,15 5.744,16 4.44,17 4.722,18 6.27,19 4.596,20 5.785,21 6.058,22 4.536,23 4.887,24 6.53,25 4.733,26 5.879,27 6.152,28 4.518,29 4.948,30 6.637,31 4.777,32 5.916,33 6.204,34 4.542,35 5.013,36 6.6,37 4.825,38 5.976,39 6.263,40 4.53,41 5.05,42 6.674,43 4.851,44 6.002,45 6.302,46 4.433,47 5.031,48 6.673,49 4.806,50 5.965,51 6.285,52 4.363,53 4.948,54 6.576,55 4.716,56 0.156,57 1.765,58 33.319,59 13.113,60 18.191,61 19.16,62 0.588,63 2.731,64 58.109,65 20.105,66 42.332,67 30.487,68 0.656,69 3.269,70 73.96,71 25.677,72 66.451,73 38.604,74 0.96,75 3.48,76 81.092,77 27.816,78 88.109,79 41.59,80 0.662,81 3.707,82 82.17,83 30.124,84 66.936,85 45.074,86 0.764,87 3.861,88 87.297,89 31.69,90 79.801,91 47.308,92 0.926,93 3.831,94 88.329,95 32.397,96 86.555,97 48.097,98 0.658,99 3.592,100 83.129,101 30.219,102 65.443,103 45.57,104 89,105 66,106 0.18,107 0.376,108 0.609,109 0.728,110 0.761,111 0.761,112 4.009,113 1.182,114 -6.54,115 -6.36,116 -5.9,121 34.8,122 4,123 16,126 2,127 10,144 8,145 2,146 2,160 2,176 21,179 2,180 18,187 16,192 16,200 9,205 2,206 16,214 14,219 12,227 21,232 10,239 26,243 4,244 8,251 24,256 4,264 20,268 1,269 14,277 20,281 9544,282 36.898,283 36.898,284 36.898,285 36.898,286 36.898,287 35.135,288 42.461,289 23.488,290 37.616,291 26.979,292 26.979,293 26.979,294 26.979,295 26.979,296 24.222,297 47.126,298 10.967,299 28.013,300 5.76,301 4.363,302 2.694,303 1.845,304 1.61,305 1.61,306 4.685,313 3168,314 6.928,318 519.219,325 4.642,326 37.343,329 0.5,330 0.5,331 0.5,332 0.8,333 1,334 0.5,335 0.5,336 0.61,337 114,338 1560,339 4.21,340 3.7,341 6.166,342 3.845,343 2.882,344 3.807,345 1.94,346 9.164,347 2.775,348 4.21,349 3.7,350 6.166,351 3.845,352 2.882,353 3.807,354 1.94,355 9.164,356 2.775,357 3.897,358 3.2,359 5.872,360 3.68,361 2.711,362 3.063,363 0.916,364 7.931,365 2.62,366 3.897,367 3.2,368 5.872,369 3.679,370 2.71,371 3.063,372 0.916,373 7.931,374 2.62,375 3.432,376 2.747,377 5.287,378 3.307,379 2.385,380 2.468,381 0.86,382 6.735,383 2.198,384 3.432,385 2.747,386 5.287,387 3.307,388 2.385,389 2.468,390 0.86,391 6.735,392 2.198,393 2.953,394 2.234,395 4.362,396 2.902,397 1.902,398 2.115,399 0.555,400 4.241,401 1.899,402 2.953,403 2.219,404 4.362,405 2.763,406 1.778,407 2.115,408 0.555,409 4.241,410 1.746,411 2.933,412 2.1,413 4.152,414 2.694,415 1.724,416 1.967,417 0.172,418 4.037,419 1.676,420 2.861,421 2.1,422 4.133,423 2.625,424 1.686,425 1.965,426 0.172,427 3.934,428 1.576,429 2.851,430 1.794,431 3.817,432 2.608,433 1.66,434 1.927,436 3.531,437 1.556,438 2.797,439 1.705,440 3.667,441 2.528,442 1.53,443 1.798,445 3.177,446 1.519,447 2.679,448 1.703,449 3.648,450 2.432,451 1.437,452 1.681,454 3.095,455 1.428,456 2.57,457 1.533,458 3.622,459 2.409,460 1.414,461 1.557,463 3.037,464 1.406,465 2.46,466 1.533,467 3.576,468 2.315,469 1.319,470 1.429,472 2.895,473 1.306,474 25.933,475 0.48,476 0.766,477 0.014,478 48,479 0.889,480 16,481 0.296,482 32,483 0.593,484 76.806,485 1.422,486 65.867,487 0.499,488 37.93,489 0.702,490 8.316,491 0.154,492 18.004,493 0.333,494 0.141,496 0.177,501 0.803,502 1.671,503 1.111,504 1.469,505 0.618,506 1.339,507 1.132,508 1.195,509 1.141,510 1.136,511 0.656,512 1.126,513 1.205,514 1.071,515 1.019,516 1.034,517 0.977,518 1.007,519 1.521,520 1.011,521 1.142,522 0.993,523 1.597,524 1.03,525 0.897,526 1.053,527 1.009,528 1.041,529 1.002,530 1.034,531 1.06,532 1.056,533 1.089,534 1.068,535 1.043,536 1.079,537 0.937,538 1.011,539 1.077,540 1.06,541 1.007,542 1.082,543 0.718,544 0.994,545 0.902,546 0.983,547 0.8,548 0.963,549 7.5,550 0.273,551 4.667,552 2.375,553 1.964,554 1.139,555 0.811,556 0.604,557 0.436,558 0.251,559 81187,560 152999,561 1.946,562 59.1,563 22,564 34,568 4,569 18,572 1.859,573 1.841,574 4.738,575 -0.848,582 169.515,583 1.284,584 2.682,585 4.35,586 5.199,587 5.434,588 5.434,589 4.134,590 4.755,591 5.73,592 5.002,593 7157.18,594 10.148,595 202136,600 929.86,601 1.249,602 5.695,603 0.136,604 0.005,605 0.071,606 0.033,607 0.029,608 0.016,609 0.012,610 0.01,611 0.008,612 0.005,613 0.325,614 0.17,615 0.63,616 1.145,617 355.666,618 0.051,619 -0.261,620 0.045,621 -0.129,622 0.016,623 -0.058,624 0.005,625 -0.001,626 -0.043,627 -0.045,628 0.037,629 -0.045,630 -0.036,631 -0.013,632 0.024,633 -0.011,634 0.031,635 0.012,636 -0.103,637 0.015,638 -0.083,639 0.011,640 -0.129,641 -0.031,642 -0.036,643 -0.016,644 -0.014,645 -0.014,646 -0.046,647 -0.011,648 -0.082,649 -0.032,650 -0.085,651 -0.05,652 -0.071,653 -0.065,654 -0.005,655 -0.025,656 -0.095,657 -0.064,658 -0.059,659 -0.088,660 0.022,661 -0.052,662 0.038,663 -0.019,664 0.003,665 0.007,666 1.394,667 5.685,668 0.222,669 122.102,670 0.98,671 1.138,672 5.306,673 28.156,674 0.606,675 4.025,676 4.205,677 4.357,678 4.443,679 4.564,680 4.511,681 4.477,682 4.466,683 4.407,684 4.317,685 16.705,686 0.549,687 751.28,688 4.025,689 5.493,690 6.271,691 7.069,692 7.867,693 8.673,694 9.478,695 10.289,696 11.099,697 11.912,698 3,701 2,705 2,715 8,720 4,722 12,739 2,741 132,743 14,744 2,745 55,747 133,748 46,749 12,750 4,751 8,756 2,757 2,763 4,770 16,772 14,773 32,777 2,782 2,786 2,793 78,794 8,796 8,802 4,808 1,809 4,829 2,844 2,855 2,859 2,864 6,868 54,876 26,878 2,881 4,893 3,896 2,898 2,901 29.333,902 24.633,903 13.028,904 9.508,907 1.655,908 1.212,909 0.904,910 27.158,911 9.451,912 4.159,913 4.5,914 4.848,915 5.163,916 5.544,917 5.446,918 5.514,919 5.597,920 5.552,921 5.426,922 0.947,923 71,924 20.183,926 7.832,927 0.026,929 7.463,931 40.429,933 31.564,936 1.963,937 106,941 918.146,942 220.754,943 12.497,945 72.29,948 220.754,949 990.436,950 12.497,951 52.094,952 72.832,953 75.81,954 59.699,955 45.106,957 918.146,959 918.146,960 233.251,961 72.29,964 706.266,965 284.169,968 114.381,969 118.87,972 918.146,973 84.787,974 220.754,977 918.146,978 92.85,979 140.401,981 72.29,982 918.146,983 84.787,984 220.754,986 0.54,987 0.307,988 0.153,989 0.084,990 16,991 10,992 0.248,993 33,995 1,996 6.5,997 470.574,999 12,1000 256.764,1005 47.709,1006 30.738,1007 21.454,1009 84.787,1010 16.758,1015 4.511,1018 1223.69,1019 63,1024 25.37,1028 0.546,1031 129.41,1032 150.193,1034 0.182,1035 0.381,1036 0.618,1037 0.738,1038 0.771,1039 0.771,1040 5.342,1041 1.778,1042 6.172,1043 4.241,1044 4.89,1045 5.187,1046 3.013,1047 6.83,1048 4.818,1049 6.421,1050 1.724,1051 7.639,1052 4.241,1053 4.111,1054 4.635,1055 2.339,1056 7.476,1057 3.971,1058 7.638,1059 1.686,1060 9.213,1061 4.037,1062 6.33,1063 7.056,1064 3.737,1065 10.53,1066 6.175,1067 8.89,1068 1.66,1069 10.855,1070 3.934,1071 6.463,1072 7.429,1073 3.823,1074 12.077,1075 6.239,1076 10.185,1077 1.53,1078 12.543,1079 3.531,1080 8.038,1081 9.292,1082 4.841,1083 14.591,1084 7.803,1085 11.507,1086 1.437,1087 14.262,1088 3.177,1089 8.621,1090 10.102,1091 5.232,1092 16.496,1093 8.323,1094 12.851,1095 1.414,1096 16.003,1097 3.095,1098 9.908,1099 11.731,1100 6.078,1101 18.816,1102 9.596,1103 2.882,1104 1.319,1105 17.758,1106 3.037,1107 10.718,1108 12.762,1109 6.605,1110 20.877,1111 10.351,1112 2.882,1113 9.164,1114 19.524,1115 2.895,1116 11.871,1117 14.272,1118 7.363,1119 23.122,1120 11.484,1121 2.711,1122 9.164,1123 21.299,1124 3.807,1125 12.795,1126 15.424,1127 7.956,1128 25.256,1129 12.361,1130 2.71,1131 7.931,1132 23.079,1133 3.807,1134 13.885,1135 16.868,1136 8.669,1137 27.472,1138 13.427,1139 2.385,1140 7.931,1141 24.863,1142 3.063,1143 14.866,1144 18.09,1145 9.296,1146 29.641,1147 14.365,1148 2.385,1149 6.735,1150 26.652,1151 3.063,1152 15.928,1153 19.493,1154 9.985,1155 31.848,1156 15.398,1157 1.902,1158 6.735,1159 28.443,1160 2.468,1161 16.938,1162 20.759,1163 10.629,1164 34.035,1165 16.369,1166 80706,1167 110974,1168 35.939,1169 80.013,1170 75.592,1171 77.467,1172 78.835,1173 75.476,1174 75.42,1175 86.174,1176 17.779,1177 188.142,1178 72.86,1179 5.202,1180 5.7,1181 6.056,1182 4.877,1183 4.882,1184 6.807,1185 3.348,1186 15.393,1187 4.775,1188 32.168,1189 1.374,1190 1.408,1191 1.433,1192 1.372,1193 1.371,1194 1.567,1195 0.323,1196 3.421,1197 1.325,1198 3.996,1199 4.039,1200 3.915,1201 3.894,1202 7.429,1203 3.894,1204 3.928,1205 3.959,1206 3.864,1207 3.846,1208 7.425,1209 3.846,1210 3.85,1211 3.902,1212 3.735,1213 3.711,1214 4.862,1215 3.704,1216 3.794,1217 3.85,1218 3.682,1219 3.636,1220 4.828,1221 3.633,1222 3.741,1223 3.805,1224 3.587,1225 3.611,1226 4.369,1227 3.595,1228 3.687,1229 3.758,1230 3.55,1231 3.503,1232 4.369,1233 3.503,1234 3.63,1235 3.697,1236 3.497,1237 3.435,1238 4.313,1239 3.44,1240 3.58,1241 3.651,1242 3.395,1243 3.419,1244 4.258,1245 3.402,1246 0.077,1247 0.067,1248 0.112,1249 0.07,1250 0.052,1251 4.21,1252 0.069,1253 3.7,1254 0.035,1255 6.166,1256 0.167,1257 3.845,1258 0.05,1259 2.882,1260 3.807,1261 1.94,1262 9.164,1263 2.775,1264 1.915,1265 1.889,1266 2.058,1267 2.035,1268 1.411,1269 2.042,1270 1.915,1271 1.889,1272 2.05,1273 2.035,1274 1.363,1275 2.041,1276 1.818,1277 1.758,1278 2.045,1279 1.994,1280 1.36,1281 2.013,1282 1.777,1283 1.719,1284 1.993,1285 1.959,1286 1.233,1287 1.969,1288 1.754,1289 1.693,1290 1.985,1291 1.918,1292 1.202,1293 1.944,1294 1.664,1295 1.594,1296 1.91,1297 1.876,1298 1.195,1299 1.89,1300 1.603,1301 1.534,1302 1.892,1303 1.825,1304 1.126,1305 1.843,1306 1.592,1307 1.522,1308 1.888,1309 1.791,1310 1.125,1311 1.828,1312 4.71,1314 5.927,1316 7.319,1318 8.797,1320 10.324,1322 12.614,1328 25.507,1330 11.902,1333 8.792,1340 72.436,1341 169.515,1342 353.997,1343 574.195,1344 686.311,1345 717.331,1346 717.331,1347 238.425,1348 7.795,1349 65.56,1350 65.56,1351 12,1352 12.499,1353 3.907,1354 3.17,1355 186.182,1356 561,1357 460,1358 0.151,1359 456.974,1360 815.88,1361 1106.78,1362 41622,1364 39.229,1365 0.726,1366 0.656,1367 39.229,1368 35.425,1369 26.32,1370 0.479,1371 0.394,1372 21.438,1373 25.479,1374 20.742,1375 17.52,1376 26.32,1377 21.663,1378 20.797,1379 0.315,1380 0.228,1381 20.797,1382 15.023,1383 16.472,1384 0.214,1385 0.135,1386 16.472,1387 10.369,1388 11.646,1389 0.139,1390 0.081,1391 11.646,1392 6.767,1393 8.955,1394 0.094,1395 0.049,1396 8.955,1397 4.654,1398 0.263,1399 163.433,1400 0.167,1401 48.7,1402 0.356,1403 242,1404 583.523,1405 261.841,1406 553.544,1407 742.38,1408 522,1409 264,1410 519.337,1411 284.954,1412 524.542,1413 752.38,1414 492,1415 7.47}
{0 CHEMBL368196,1 1.46,2 5.765,3 3.341,4 11.162,5 69.263,6 8.158,7 0.55,8 3.535,9 3.649,10 3.202,11 3.21,12 4.537,13 3.164,14 4.119,15 4.267,16 3.667,17 3.706,18 5.044,19 3.634,20 4.419,21 4.634,22 3.718,23 3.785,24 5.323,25 3.67,26 4.314,27 4.542,28 3.7,29 3.624,30 5.392,31 3.525,32 4.153,33 4.366,34 3.243,35 3.476,36 5.111,37 3.323,38 4.025,39 4.29,40 3.034,41 3.272,42 4.78,43 3.059,44 3.726,45 4.015,46 2.203,47 2.802,48 4.433,49 2.482,50 2.98,51 3.351,52 0.735,53 1.786,54 3.473,55 1.383,56 0.026,57 0.424,58 5.523,59 2.638,60 5.377,61 3.548,62 0.028,63 0.742,64 11.141,65 5.25,66 7.622,67 7.148,68 0.096,69 0.976,70 19.35,71 7.329,72 15.059,73 9.992,74 0.249,75 0.884,76 19.557,77 6.048,78 32.506,79 8.196,80 0.167,81 0.74,82 16.786,83 5.198,84 24.178,85 6.841,86 0.095,87 0.588,88 15.699,89 5.61,90 15.365,91 7.665,92 0.115,93 0.385,94 16.311,95 4.638,96 15.403,97 6.163,98 0.063,99 0.175,100 8.101,101 2.259,102 7.965,103 3.11,104 5,105 31,106 0.277,107 0.664,108 0.765,109 0.856,110 0.881,111 0.881,112 2.914,113 0.976,114 -4.23,115 -4.17,116 -3.94,121 46.7,123 3,124 2,144 3,145 2,146 2,148 2,165 1,166 1,167 1,176 8,180 4,185 2,187 14,189 2,192 4,197 1,200 4,203 1,206 3,208 1,209 1,211 6,214 8,216 6,224 2,227 8,229 2,239 10,251 3,281 200,282 11.654,283 11.654,284 11.654,285 11.654,286 11.654,287 10.319,288 11.066,289 6.52,290 11.826,291 9.867,292 9.867,293 9.867,294 9.867,295 9.867,296 7.807,297 9.705,298 3.077,299 10.217,300 3.447,301 1.409,302 0.875,303 0.4,304 0.267,305 0.267,306 3.607,308 1,311 1,312 1,313 226,314 2,317 43.334,318 78.169,321 36.791,322 86.624,325 0.865,326 12.535,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 35.333,338 98,339 4.742,340 3.583,341 7.086,342 4.372,343 3.39,344 4.659,346 12.226,347 3.329,348 4.216,349 3.169,350 6.519,351 3.889,352 2.919,353 3.689,355 10.144,356 2.821,357 3.569,358 2.47,359 5.703,360 3.209,361 2.234,362 2.978,364 7.424,365 2.178,366 3.322,367 2.366,368 5.112,369 2.95,370 2.024,371 2.545,373 5.909,374 1.865,375 2.969,376 1.913,377 5.015,378 2.733,379 1.765,380 2.045,382 5.467,383 1.663,384 2.834,385 1.582,386 4.591,387 2.464,388 1.482,389 1.939,391 4.224,392 1.442,393 2.425,394 1.242,395 3.731,396 2.07,397 1.12,398 1.409,400 2.652,401 1.03,402 1.682,403 0.67,404 3.273,405 1.656,406 0.659,407 0.669,409 1.632,410 0.656,411 1.319,412 0.348,413 3.081,414 0.923,415 -0.025,416 -0.031,418 -0.067,419 -0.023,420 1.11,421 0.102,422 2.842,423 0.664,424 -0.209,425 -0.257,427 -0.534,428 -0.145,429 0.866,430 -0.351,431 2.353,432 0.439,433 -0.476,434 -0.611,436 -1.278,437 -0.432,438 0.22,439 -0.849,440 2.259,441 -0.102,442 -1.063,443 -1.258,445 -3.023,446 -0.972,447 -0.091,448 -1.071,449 2.141,450 -0.319,451 -1.303,452 -1.462,454 -3.552,455 -1.16,456 -0.22,457 -1.168,458 1.825,459 -0.508,460 -1.403,461 -1.637,463 -3.886,464 -1.317,465 -0.261,466 -1.396,467 1.406,468 -0.588,469 -1.497,470 -1.891,472 -4.578,473 -1.462,474 8.514,475 0.501,476 0.504,477 0.03,478 21.5,479 1.265,480 10.5,481 0.618,482 11,483 0.647,484 13.762,485 0.81,486 17.286,487 0.576,488 11.45,489 0.674,490 3.561,491 0.209,492 4.693,493 0.276,494 0.131,496 0.47,501 0.746,502 0.934,503 0.582,504 0.735,505 0.868,506 0.755,507 0.552,508 1.106,509 0.602,510 0.902,511 0.481,512 0.89,513 0.841,514 1.227,515 0.797,516 1.008,517 0.758,518 0.988,519 1.043,520 0.997,521 0.877,522 0.868,523 1.005,524 0.853,525 1.67,526 1.012,527 1.416,528 1.173,529 1.837,530 1.262,531 0.85,532 0.889,533 0.998,534 1.01,535 0.991,536 1.059,537 1.395,538 0.906,539 1.848,540 1.413,541 1.249,542 1.324,543 1.012,544 0.534,545 1.333,546 0.95,547 0.893,548 0.867,549 3,551 2.222,552 1.722,553 1.391,554 0.545,555 0.133,556 0.028,559 2256,560 5239,561 2.231,562 43.3,563 7,564 3,567 2,568 1,572 1.577,573 2.082,574 2.571,575 0.353,577 1,578 1,579 1,582 43.798,583 1.46,584 3.498,585 4.031,586 4.507,587 4.64,588 4.64,589 1.921,590 3.617,591 4.068,592 2.603,593 353.975,594 6.91,595 3040.59,596 1,597 1,599 1,600 147.207,601 1.402,602 4.021,603 0.15,605 0.072,606 0.059,607 0.054,608 0.034,609 0.012,610 0.009,613 0.39,614 1,615 1,616 0.604,617 66.862,618 -0.087,619 0.152,620 0.013,621 0.122,622 -0.083,623 0.105,624 0.038,625 -0.097,626 0.051,627 -0.002,628 0.106,629 0.021,630 0.023,631 -0.243,632 0.042,633 -0.073,634 0.064,635 -0.041,636 0.208,637 0.059,638 0.114,639 0.055,640 0.255,641 0.066,642 -0.426,643 0.032,644 -0.388,645 -0.249,646 -0.475,647 -0.357,648 -0.007,649 -0.019,650 0.043,651 0.021,652 -0.115,653 -0.021,654 -0.174,655 -0.142,656 -0.32,657 -0.276,658 -0.213,659 -0.22,660 0.025,661 0.197,662 0.051,663 0.217,664 0.013,665 0.316,666 0.946,667 2.333,668 0.882,669 7.516,670 0.994,671 1.114,672 2.996,673 8.977,674 0.715,675 3.045,676 3.466,677 3.871,678 4.263,679 4.5,680 4.663,681 4.812,682 4.956,683 5.011,684 4.868,685 3.601,686 0.668,687 244.74,688 3.045,689 4.635,690 5.557,691 6.5,692 7.435,693 8.384,694 9.324,695 10.274,696 11.216,697 12.166,698 6.7,702 1,708 1,714 2,715 3,716 1,720 4,722 11,733 1,740 1,741 30,743 11,744 1,745 20,747 33,748 14,749 9,750 3,751 3,756 4,757 10,758 1,767 3,768 2,770 3,772 9,773 5,774 2,790 1,793 13,794 2,795 2,796 3,797 1,802 2,808 0.25,822 1,828 2,829 3,832 1,833 2,859 1,865 1,868 17,869 1,876 3,880 2,892 1,901 8.167,902 5.343,903 3.528,904 2.004,907 2.422,908 1.342,909 1.074,910 1.864,911 9.503,912 3.277,913 3.98,914 4.684,915 5.362,916 5.957,917 6.378,918 6.799,919 7.19,920 7.515,921 7.513,922 0.75,923 29,924 6.309,926 2.883,927 0.026,929 7.516,931 12.521,933 11.596,936 2.016,937 34.278,938 0.004,941 129.482,942 52.949,943 49.683,944 39.149,948 52.949,949 168.631,950 49.683,952 7.604,953 61.326,954 16.786,955 16.917,957 129.482,958 39.149,959 129.482,960 102.632,962 39.149,964 129.482,968 12.504,969 73.342,970 55.934,972 129.482,973 49.683,974 92.098,977 129.482,978 24.52,979 28.429,981 88.831,982 129.482,983 49.683,984 92.098,986 0.607,987 0.382,988 0.226,989 0.115,990 20,991 8,994 4,995 1.467,996 2.909,997 138.9,998 0.533,999 14,1000 69.487,1005 9.867,1006 3.212,1007 1.173,1008 1.891,1009 49.683,1010 5.835,1011 4.796,1015 4.135,1017 32.897,1018 271.263,1019 25.5,1031 29.829,1032 33.432,1034 0.298,1035 0.713,1036 0.822,1037 0.918,1038 0.946,1039 0.946,1040 4.572,1041 0.659,1042 5.587,1043 2.652,1044 4.143,1045 4.663,1047 6.521,1048 4.078,1049 5.815,1050 -0.025,1051 7.219,1052 1.632,1053 3.892,1054 4.677,1056 7.621,1057 3.775,1058 7.168,1059 -0.209,1060 8.95,1061 -0.067,1062 5.849,1063 6.992,1065 10.81,1066 5.743,1067 8.562,1068 -0.476,1069 10.74,1070 -0.534,1071 6.431,1072 7.845,1074 12.744,1075 6.289,1076 9.991,1077 -1.063,1078 12.566,1079 -1.278,1080 7.889,1081 9.672,1083 15.461,1084 7.747,1085 11.445,1086 -1.303,1087 14.418,1088 -3.023,1089 8.836,1090 10.902,1092 17.727,1093 8.667,1094 12.919,1095 -1.403,1096 16.289,1097 -3.552,1098 10.119,1099 12.546,1101 20.29,1102 9.943,1103 3.39,1104 -1.497,1105 18.175,1106 -3.886,1107 11.219,1108 13.944,1110 22.689,1111 11.021,1112 2.919,1113 12.226,1114 20.072,1115 -4.578,1116 12.445,1117 15.518,1119 25.201,1120 12.235,1121 2.234,1122 10.144,1123 21.978,1124 4.659,1125 13.607,1126 16.992,1128 27.655,1129 13.379,1130 2.024,1131 7.424,1132 23.892,1133 3.689,1134 14.817,1135 18.54,1137 30.152,1138 14.574,1139 1.765,1140 5.909,1141 25.812,1142 2.978,1143 16.006,1144 20.047,1146 32.629,1147 15.745,1148 1.482,1149 5.467,1150 27.736,1151 2.545,1152 17.213,1153 21.586,1155 35.124,1156 16.937,1157 1.12,1158 4.224,1159 29.664,1160 2.045,1161 18.414,1162 23.109,1164 37.612,1165 18.121,1166 2127,1167 3320,1168 13.641,1169 21.438,1170 31.204,1171 31.697,1172 32.46,1173 31.407,1174 31.188,1175 39.865,1177 99.356,1178 29.969,1179 5.688,1180 5.583,1181 6.622,1182 5.418,1183 5.39,1184 7.659,1186 19.902,1187 5.329,1188 6.283,1189 1.56,1190 1.585,1191 1.623,1192 1.57,1193 1.559,1194 1.993,1196 4.968,1197 1.498,1198 4.154,1199 4.182,1200 4.166,1201 4.089,1202 5.17,1203 4.091,1204 3.84,1205 3.874,1206 3.842,1207 3.779,1208 4.859,1209 3.766,1210 3.31,1211 3.377,1212 3.39,1213 3.182,1214 4.617,1215 3.179,1216 3.08,1217 3.146,1218 3.183,1219 2.935,1220 4.288,1221 2.937,1222 2.866,1223 2.964,1224 2.842,1225 2.691,1226 3.981,1227 2.663,1228 2.77,1229 2.834,1230 2.622,1231 2.638,1232 3.395,1233 2.615,1234 2.676,1235 2.795,1236 2.467,1237 2.395,1238 3.274,1239 2.388,1240 2.458,1241 2.519,1242 2.299,1243 2.298,1244 3.125,1245 2.295,1246 0.237,1247 0.179,1248 0.354,1249 0.219,1250 0.169,1251 4.742,1252 0.233,1253 3.583,1255 7.086,1256 0.611,1257 4.372,1258 0.166,1259 3.39,1260 4.659,1262 12.226,1263 3.329,1264 2.043,1265 2.025,1266 2.093,1267 2.121,1268 1.362,1269 2.118,1270 1.674,1271 1.635,1272 1.858,1273 1.786,1274 1.176,1275 1.815,1276 1.524,1277 1.469,1278 1.757,1279 1.671,1280 1.121,1281 1.704,1282 1.275,1283 1.216,1284 1.482,1285 1.473,1286 0.597,1287 1.485,1288 0.96,1289 0.914,1290 1.144,1291 1.204,1292 0.169,1293 1.198,1294 0.66,1295 0.585,1296 0.979,1297 0.939,1298 0.091,1299 0.974,1300 0.614,1301 0.524,1302 0.866,1303 0.754,1304 0.078,1305 0.79,1306 0.3,1307 0.147,1308 0.831,1309 0.659,1311 0.74,1312 3.714,1314 5.106,1315 3.045,1316 6.718,1317 5.416,1318 8.435,1319 7.545,1320 10.208,1323 6.246,1326 6.333,1328 3.774,1332 1.267,1340 20.031,1341 43.798,1342 104.942,1343 120.942,1344 135.207,1345 139.207,1346 139.207,1347 20.394,1348 7.081,1349 38.91,1350 38.91,1351 22,1352 12.657,1353 3.585,1354 2.7,1355 20.834,1356 40,1357 25,1358 0.298,1359 122.774,1360 203.53,1361 291.329,1362 9417,1363 3.3,1364 11.569,1365 0.681,1366 0.598,1367 12.069,1368 10.167,1369 8.254,1370 0.413,1371 0.325,1372 6.135,1373 7.869,1374 5.982,1375 4.865,1376 8.543,1377 6.507,1378 7.915,1379 0.255,1380 0.18,1381 8.286,1382 5.572,1383 7.383,1384 0.157,1385 0.098,1386 7.72,1387 4.611,1388 7.004,1389 0.1,1390 0.055,1391 7.394,1392 3.839,1393 5.351,1394 0.06,1395 0.028,1396 5.561,1397 2.513,1398 0.426,1399 53.396,1400 0.271,1401 16.234,1402 0.95,1403 102,1404 219.161,1405 120.6,1406 251.945,1407 350.74,1408 236,1409 129,1410 250.525,1411 144.374,1412 266.674,1413 401.8,1414 254,1415 7.375}
{0 CHEMBL369554,1 1.537,2 7.947,3 2.251,4 5.067,5 68.203,6 7.314,7 0.286,8 3.708,9 3.805,10 3.262,11 3.168,12 4.762,13 3.175,14 4.302,15 4.45,16 3.684,17 3.584,18 5.418,19 3.575,20 4.511,21 4.691,22 3.677,23 3.696,24 5.508,25 3.659,26 4.55,27 4.753,28 3.47,29 3.592,30 5.58,31 3.527,32 4.317,33 4.522,34 3.297,35 3.359,36 5.402,37 3.301,38 4.095,39 4.297,40 3.065,41 3.182,42 5.091,43 3.107,44 3.986,45 4.207,46 3.02,47 3.064,48 5.09,49 2.981,50 3.958,51 4.193,52 2.769,53 2.902,54 5.102,55 2.813,56 0.061,57 0.49,58 7.826,59 3.548,60 6.127,61 4.391,62 0.503,63 0.788,64 16.258,65 5.968,66 37.426,67 7.673,68 0.347,69 0.929,70 20.435,71 7.325,72 29.484,73 9.546,74 0.544,75 0.88,76 22.725,77 7.162,78 46.664,79 9.407,80 0.475,81 0.708,82 17.889,83 5.499,84 43.38,85 7.429,86 0.384,87 0.58,88 14.118,89 4.532,90 27.859,91 6.145,92 0.297,93 0.536,94 12.467,95 4.083,96 27.995,97 5.885,98 0.442,99 0.487,100 12.926,101 3.318,102 46.28,103 4.848,104 14,105 31,106 0.285,107 0.641,108 0.813,109 0.869,110 0.879,111 0.879,112 3.011,113 0.931,114 -2.84,115 -2.85,116 -2.76,121 38.9,122 2,123 1,125 1,127 2,130 1,144 3,145 1,146 2,161 1,176 5,179 2,180 7,183 2,185 1,187 6,192 8,200 5,206 7,211 2,214 3,218 1,219 5,224 2,227 2,231 1,232 1,237 1,239 2,243 1,244 2,247 1,249 2,251 2,255 1,259 1,264 1,269 1,277 2,281 378,282 12.781,283 12.781,284 12.781,285 12.781,286 12.781,287 11.941,288 19.261,289 7.445,290 13.106,291 10.327,292 10.327,293 10.327,294 10.327,295 10.327,296 8.946,297 22.485,298 3.433,299 10.792,300 3.633,301 1.712,302 0.785,303 0.486,304 0.431,305 0.431,306 3.685,311 1,312 1,313 327,314 3.317,317 66.109,318 37.64,320 53.105,321 57.002,324 79.697,325 1.224,326 21.437,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 42.5,338 151,339 4.755,340 3.956,341 7.887,342 4.642,343 3.649,344 4.153,345 2.186,346 14.705,347 3.621,348 3.957,349 3.662,350 5.984,351 3.604,352 2.657,353 3.281,354 1.392,355 8.24,356 2.514,357 3.633,358 2.774,359 5.411,360 3.285,361 2.334,362 2.842,363 0.532,364 7.033,365 2.193,366 3.302,367 2.546,368 5.249,369 2.937,370 1.983,371 2.506,372 0.366,373 5.916,374 1.874,375 2.965,376 2.411,377 4.773,378 2.795,379 1.825,380 2.041,382 5.27,383 1.764,384 2.421,385 1.571,386 4.117,387 2.117,388 1.143,389 1.402,391 2.971,392 1.112,393 2.145,394 1.511,395 3.647,396 2.018,397 1.06,398 1.138,400 2.506,401 1.004,402 2.118,403 1.156,404 3.195,405 1.979,406 1.019,407 1.075,409 1.715,410 0.969,411 1.48,412 0.891,413 3.075,414 1.211,415 0.277,416 0.312,418 0.696,419 0.256,420 0.953,421 0.481,422 2.838,423 0.699,424 -0.233,425 -0.253,427 -0.546,428 -0.215,429 0.665,430 -0.006,431 2.49,432 0.428,433 -0.575,434 -0.631,436 -1.003,437 -0.559,438 0.607,439 -0.326,440 2.331,441 0.266,442 -0.725,443 -0.853,445 -1.884,446 -0.716,447 0.472,448 -0.563,449 2.15,450 0.153,451 -0.829,452 -1.077,454 -2.597,455 -0.815,456 0.09,457 -0.696,458 1.924,459 -0.097,460 -1.081,461 -1.322,463 -3.036,464 -1.058,465 -0.393,466 -0.956,467 1.711,468 -0.564,469 -1.528,470 -1.63,472 -3.684,473 -1.454,474 8.733,475 0.46,476 0.541,477 0.028,478 21.25,479 1.118,480 8.5,481 0.447,482 12.75,483 0.671,484 15.727,485 0.828,486 21.867,487 0.607,488 13.883,489 0.731,490 4.012,491 0.211,492 5.119,493 0.269,494 0.153,495 0.057,496 0.286,501 0.823,502 1.384,503 0.77,504 1.274,505 0.656,506 1.045,507 0.803,508 0.917,509 0.79,510 0.921,511 0.524,512 0.863,513 1.081,514 1.104,515 0.968,516 1.122,517 0.8,518 1.031,519 1.406,520 0.99,521 1.164,522 0.987,523 1.147,524 1.02,525 1.205,526 1.018,527 1.083,528 0.996,529 1.574,530 1.008,531 1.09,532 1.057,533 1.112,534 1.031,535 1.098,536 1.072,537 0.607,538 1.268,539 0.868,540 1.181,541 0.959,542 1.107,543 1.165,544 0.833,545 1.224,546 0.842,547 2.2,548 0.995,549 5,550 0.02,551 2.889,552 2.049,553 0.796,554 0.497,555 0.36,556 0.24,557 0.139,558 0.049,559 3084,560 8363,561 2.069,562 47.2,563 3,564 7,565 1,567 1,569 5,572 1.603,573 1.916,574 2.955,575 -0.249,577 1,578 1,579 1,582 55.327,583 1.537,584 3.458,585 4.385,586 4.684,587 4.739,588 4.739,589 2.465,590 4.143,591 4.216,592 3.088,593 528.039,594 7.184,595 5043.03,596 1,597 1,599 1,600 186.117,601 1.638,602 4.16,603 0.238,604 0.01,605 0.093,606 0.068,607 0.035,608 0.026,609 0.024,610 0.017,611 0.014,612 0.008,613 0.534,614 0.83,615 1,616 1.538,617 81.34,618 -0.049,619 -0.152,620 0.069,621 -0.114,622 -0.066,623 -0.009,624 0.226,625 0.182,626 0.148,627 0.127,628 0.207,629 0.119,630 -0.117,631 -0.075,632 -0.027,633 -0.097,634 -0.037,635 -0.044,636 -0.24,637 -0.059,638 -0.162,639 -0.024,640 -0.109,641 -0.069,642 -0.082,643 -0.061,644 -0.085,645 -0.046,646 -0.163,647 -0.062,648 -0.047,649 -0.084,650 -0.136,651 -0.06,652 -0.135,653 -0.111,654 0.222,655 -0.28,656 0.082,657 -0.209,658 0.162,659 -0.123,660 -0.027,661 0.151,662 -0.196,663 0.017,664 -0.189,665 -0.101,666 2.106,667 4.431,668 0.632,669 12.72,670 1.013,671 1.129,672 1.613,673 2.601,674 0.637,675 3.091,676 3.466,677 3.784,678 4.094,679 4.263,680 4.369,681 4.543,682 4.585,683 4.522,684 4.466,685 4.72,686 0.614,687 263.32,688 3.091,689 4.654,690 5.533,691 6.454,692 7.362,693 8.293,694 9.216,695 10.152,696 11.083,697 12.023,698 2.8,705 1,715 3,720 3,722 6,737 1,739 1,741 36,743 7,744 1,745 21,747 38,748 14,749 6,750 3,751 3,756 3,757 6,763 2,764 1,766 1,767 1,770 1,772 7,773 7,777 1,782 1,786 1,789 1,790 1,793 17,794 5,795 1,796 5,802 1,808 0.333,809 4,815 1,828 2,829 1,831 1,832 1,835 1,858 1,859 1,864 2,868 19,876 3,877 1,878 3,880 1,882 1,893 11.1,896 1,897 1,898 2,901 9.917,902 7,903 4.153,904 2.326,907 1.32,908 1.195,909 0.935,910 3.149,911 8.078,912 3.258,913 3.795,914 4.294,915 4.831,916 5.298,917 5.528,918 5.887,919 6.103,920 6.071,921 6.062,922 1,923 30,924 7.05,926 3.045,927 0.026,929 7.803,931 13.458,933 11.269,936 2.303,937 43.75,938 0.001,941 188.338,942 76.106,943 18.011,945 58.145,948 76.106,949 246.482,950 18.011,951 17.65,952 27.243,953 28.788,954 36.145,955 35.672,956 18.534,957 176.567,959 188.338,960 94.117,961 58.145,964 129.482,965 106,966 11,967 0.36,968 44.894,969 48.864,972 188.338,973 76.155,974 76.106,977 188.697,978 29.668,979 46.079,980 18.011,981 58.145,982 188.338,983 76.155,984 76.106,986 0.586,987 0.35,988 0.192,989 0.094,990 17,991 7,992 0.079,993 3,994 2,995 1.333,996 3.102,997 144.945,998 0.333,999 12,1000 80.711,1005 12.758,1006 4.689,1007 2.088,1009 76.155,1010 5.439,1015 2.398,1017 18.011,1018 340.599,1019 25,1024 11.431,1028 -0.439,1031 36.48,1032 40.658,1034 0.297,1035 0.669,1036 0.848,1037 0.906,1038 0.917,1039 0.917,1040 4.549,1041 1.019,1042 5.58,1043 2.506,1044 4.143,1045 4.477,1046 2.637,1047 6.521,1048 4.068,1049 5.757,1050 0.277,1051 7.228,1052 1.715,1053 4.007,1054 4.425,1055 1.784,1056 7.968,1057 3.947,1058 7.1,1059 -0.233,1060 9.003,1061 0.696,1062 5.905,1063 6.582,1064 3.7,1065 11.105,1066 5.792,1067 8.483,1068 -0.575,1069 10.862,1070 -0.546,1071 6.635,1072 7.316,1073 3.59,1074 13.432,1075 6.552,1076 9.907,1077 -0.725,1078 12.779,1079 -1.003,1080 8.086,1081 9.033,1082 5.007,1083 16.226,1084 7.975,1085 11.359,1086 -0.829,1087 14.736,1088 -1.884,1089 9.171,1090 10.112,1091 5.289,1092 18.817,1093 9.081,1094 12.832,1095 -1.081,1096 16.724,1097 -2.597,1098 10.496,1099 11.665,1100 6.433,1101 21.532,1102 10.393,1103 3.649,1104 -1.528,1105 18.733,1106 -3.036,1107 11.714,1108 12.91,1109 6.93,1110 24.194,1111 11.619,1112 2.657,1113 14.705,1114 20.758,1115 -3.684,1116 13.009,1117 14.394,1118 7.922,1119 26.89,1120 12.907,1121 2.334,1122 8.24,1123 22.794,1124 4.153,1125 14.275,1126 15.723,1127 8.539,1128 29.571,1129 14.173,1130 1.983,1131 7.033,1132 24.838,1133 3.281,1134 15.565,1135 17.175,1136 9.444,1137 32.261,1138 15.457,1139 1.825,1140 5.916,1141 26.888,1142 2.842,1143 16.848,1144 18.548,1145 10.13,1146 34.947,1147 16.736,1148 1.143,1149 5.27,1150 28.942,1151 2.506,1152 18.139,1153 19.985,1154 10.985,1155 37.636,1156 18.02,1157 1.06,1158 2.971,1159 30.999,1160 2.041,1161 19.428,1162 21.381,1163 11.71,1164 40.323,1165 19.304,1166 3085,1167 5158,1168 13.811,1169 22.915,1170 32.121,1171 33.307,1172 33.529,1173 31.858,1174 31.896,1175 37.501,1176 8.951,1177 98.107,1178 30.611,1179 5.717,1180 5.956,1181 7.658,1182 5.713,1183 5.649,1184 7.153,1185 3.889,1186 22.9,1187 5.621,1188 9.012,1189 1.53,1190 1.586,1191 1.597,1192 1.517,1193 1.519,1194 1.786,1195 0.426,1196 4.672,1197 1.458,1198 4.052,1199 4.064,1200 4.003,1201 3.953,1202 7.435,1203 3.962,1204 3.687,1205 3.724,1206 3.606,1207 3.522,1208 4.961,1209 3.529,1210 3.576,1211 3.641,1212 3.451,1213 3.36,1214 4.625,1215 3.367,1216 3.211,1217 3.24,1218 3.072,1219 2.936,1220 4.294,1221 2.968,1222 3.103,1223 3.19,1224 2.882,1225 2.881,1226 4.145,1227 2.876,1228 2.947,1229 2.983,1230 2.829,1231 2.69,1232 3.898,1233 2.717,1234 2.779,1235 2.856,1236 2.578,1237 2.623,1238 3.787,1239 2.602,1240 2.577,1241 2.646,1242 2.415,1243 2.339,1244 3.508,1245 2.35,1246 0.226,1247 0.188,1248 0.376,1249 0.221,1250 0.174,1251 4.755,1252 0.198,1253 3.956,1254 0.104,1255 7.887,1256 0.7,1257 4.642,1258 0.172,1259 3.649,1260 4.153,1261 2.186,1262 14.705,1263 3.621,1264 1.896,1265 1.88,1266 1.999,1267 1.986,1268 1.31,1269 1.987,1270 1.59,1271 1.546,1272 1.844,1273 1.82,1274 0.991,1275 1.826,1276 1.541,1277 1.464,1278 1.789,1279 1.734,1280 0.967,1281 1.754,1282 1.306,1283 1.265,1284 1.589,1285 1.609,1286 0.787,1287 1.592,1288 1.06,1289 1.042,1290 1.264,1291 1.403,1292 0.386,1293 1.36,1294 0.883,1295 0.806,1296 1.233,1297 1.197,1298 0.223,1299 1.22,1300 0.767,1301 0.712,1302 1.063,1303 0.967,1304 0.147,1305 1.003,1306 0.685,1307 0.625,1308 0.931,1309 0.929,1310 0.055,1311 0.935,1312 3.761,1314 5.118,1315 3.045,1316 6.676,1317 5.533,1318 8.337,1319 7.735,1320 10.06,1322 3.964,1328 2.151,1329 2.6,1330 16.57,1332 -0.22,1334 -0.143,1340 22.095,1341 55.327,1342 124.502,1343 157.853,1344 168.608,1345 170.608,1346 170.608,1347 28.406,1348 6.758,1349 56.79,1350 56.79,1351 16,1352 12.52,1353 3,1354 2.322,1355 27.863,1356 54,1357 63,1358 0.269,1359 133.953,1360 238.38,1361 318.605,1362 6452,1364 13.458,1365 0.708,1366 0.582,1367 13.458,1368 11.064,1369 9.131,1370 0.435,1371 0.31,1372 6.39,1373 8.623,1374 6.221,1375 5.133,1376 9.131,1377 6.517,1378 8.506,1379 0.274,1380 0.163,1381 8.506,1382 5.066,1383 7.254,1384 0.169,1385 0.087,1386 7.254,1387 3.743,1388 6.308,1389 0.107,1390 0.045,1391 6.308,1392 2.63,1393 4.663,1394 0.067,1395 0.023,1396 4.663,1397 1.626,1398 0.408,1399 58.36,1400 0.269,1401 18.719,1402 0.776,1403 104,1404 339.275,1405 120.445,1406 308.046,1407 420.23,1408 290,1409 126,1410 310.508,1411 141.618,1412 305.058,1413 458.46,1414 287,1415 6.444}
{0 CHEMBL369661,1 1.471,2 5.75,3 3.454,4 11.933,5 66.543,6 8.025,7 0.611,8 3.475,9 3.595,10 3.117,11 3.126,12 4.509,13 3.076,14 4.017,15 4.179,16 3.525,17 3.558,18 4.975,19 3.478,20 4.311,21 4.526,22 3.685,23 3.686,24 5.291,25 3.587,26 4.269,27 4.493,28 3.522,29 3.578,30 5.285,31 3.458,32 4.155,33 4.401,34 3.268,35 3.404,36 5.122,37 3.243,38 3.965,39 4.226,40 2.801,41 3.166,42 4.762,43 2.924,44 3.623,45 3.925,46 2.137,47 2.683,48 4.31,49 2.369,50 2.885,51 3.243,52 0.728,53 1.736,54 3.409,55 1.348,56 0.026,57 0.408,58 5.509,59 2.553,60 5.055,61 3.474,62 0.031,63 0.676,64 10.846,65 4.847,66 6.16,67 6.648,68 0.136,69 0.873,70 18.215,71 6.434,72 17.898,73 8.876,74 0.164,75 0.851,76 17.478,77 5.792,78 22.97,79 7.922,80 0.187,81 0.716,82 16.974,83 5.341,84 26.225,85 7.355,86 0.127,87 0.52,88 17.517,89 5.355,90 18.229,91 7.174,92 0.102,93 0.335,94 14.384,95 4.121,96 13.9,97 5.525,98 0.058,99 0.149,100 7.242,101 1.97,102 7.53,103 2.695,104 5,105 26,106 0.284,107 0.674,108 0.772,109 0.843,110 0.87,111 0.87,112 2.857,113 1.001,114 -3.97,115 -3.92,116 -3.72,121 44.8,123 4,144 3,145 2,146 2,148 2,165 1,166 1,167 1,176 7,180 3,185 2,187 8,189 2,192 5,197 2,200 7,203 2,206 2,208 1,209 1,211 3,214 5,216 3,224 3,227 8,229 3,239 7,251 3,281 164,282 10.914,283 10.914,284 10.914,285 10.914,286 10.914,287 9.529,288 8.64,289 6.345,290 11.088,291 8.867,292 8.867,293 8.867,294 8.867,295 8.867,296 6.76,297 4.027,298 2.979,299 9.228,300 3.387,301 1.362,302 0.854,303 0.483,304 0.345,305 0.345,306 3.532,308 1,311 1,312 1,313 202,314 1.732,318 77.413,322 85.609,325 0.906,326 11.833,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 33.333,338 92,339 4.673,340 3.4,341 6.842,342 4.218,343 3.246,344 4.626,346 11.294,347 3.157,348 4.033,349 3.006,350 6.175,351 3.63,352 2.67,353 3.572,355 8.938,356 2.555,357 3.584,358 2.458,359 5.524,360 3.162,361 2.215,362 2.991,364 6.892,365 2.066,366 3.025,367 1.992,368 4.668,369 2.58,370 1.64,371 2.246,373 4.613,374 1.527,375 2.793,376 1.501,377 3.945,378 2.443,379 1.461,380 1.896,382 3.298,383 1.404,384 2.489,385 1.374,386 3.713,387 2.32,388 1.329,389 1.488,391 2.995,392 1.31,393 2,394 1.208,395 3.517,396 1.842,397 0.883,398 0.959,400 2.14,401 0.827,402 1.49,403 0.517,404 2.942,405 1.068,406 0.166,407 0.209,409 0.407,410 0.138,411 0.937,412 -0.037,413 2.537,414 0.589,415 -0.332,416 -0.391,418 -0.81,419 -0.263,420 0.864,421 -0.43,422 2.34,423 0.39,424 -0.533,425 -0.711,427 -1.304,428 -0.481,429 0.263,430 -0.625,431 2,432 0.131,433 -0.854,434 -0.934,436 -2.046,437 -0.836,438 0.116,439 -0.962,440 1.834,441 -0.203,442 -1.168,443 -1.449,445 -3.196,446 -1.016,447 -0.04,448 -1.136,449 1.514,450 -0.496,451 -1.341,452 -1.75,454 -3.57,455 -1.205,456 -0.274,457 -1.393,458 1.313,459 -0.657,460 -1.559,461 -1.963,463 -4.353,464 -1.495,465 -0.5,466 -1.738,467 1.248,468 -0.875,469 -1.822,470 -2.204,472 -5.527,473 -1.739,474 8.014,475 0.501,476 0.401,477 0.025,478 20.5,479 1.281,480 10.5,481 0.656,482 10,483 0.625,484 12.161,485 0.76,486 16.586,487 0.572,488 11.138,489 0.696,490 3.614,491 0.226,492 4.157,493 0.26,494 0.139,496 0.374,501 0.767,502 0.997,503 0.603,504 0.778,505 0.897,506 0.799,507 0.581,508 1.167,509 0.614,510 0.925,511 0.531,512 0.908,513 0.782,514 1.144,515 0.751,516 0.929,517 0.707,518 0.886,519 1.21,520 1.093,521 0.945,522 0.959,523 1.215,524 1.013,525 1.181,526 0.944,527 1.026,528 0.99,529 1.297,530 1.068,531 1.269,532 0.916,533 1.502,534 1.248,535 1.325,536 1.239,537 1.224,538 0.818,539 1.622,540 1.255,541 1.113,542 1.175,543 1.086,544 0.595,545 1.443,546 1.05,547 0.964,548 0.959,549 2.5,551 2.222,552 1.375,553 1.391,554 0.41,555 0.1,556 0.028,559 1802,560 4457,561 2.135,562 44.8,563 6,564 3,567 2,568 2,572 1.559,573 2,574 2.59,575 0.39,577 1,578 1,579 1,582 42.67,583 1.471,584 3.496,585 4.004,586 4.375,587 4.513,588 4.513,589 1.924,590 2.858,591 3.979,592 2.596,593 311.485,594 6.732,595 2598.37,597 1,599 1,600 140.881,601 1.406,602 3.933,603 0.139,605 0.085,606 0.049,607 0.063,608 0.027,609 0.013,610 0.009,613 0.386,614 1,615 1,616 0.625,617 61.788,618 -0.089,619 0.123,620 0.007,621 0.103,622 -0.103,623 0.086,624 0.051,625 -0.14,626 0.07,627 -0.005,628 0.087,629 0.023,630 0.132,631 -0.139,632 0.106,633 0.004,634 0.161,635 0.057,636 -0.096,637 -0.035,638 -0.06,639 -0.057,640 -0.057,641 -0.107,642 -0.088,643 0.064,644 -0.079,645 -0.058,646 -0.098,647 -0.132,648 -0.181,649 -0.071,650 -0.235,651 -0.196,652 -0.263,653 -0.212,654 -0.102,655 -0.071,656 -0.19,657 -0.141,658 -0.144,659 -0.088,660 -0.028,661 0.103,662 -0.058,663 0.075,664 -0.03,665 0.168,666 0.974,667 2.21,668 0.875,669 7.25,670 0.994,671 1.118,672 2.74,673 7.508,674 0.705,675 2.944,676 3.296,677 3.638,678 3.932,679 4.205,680 4.234,681 4.317,682 4.317,683 4.344,684 4.007,685 3.578,686 0.656,687 232.73,688 2.944,689 4.489,690 5.371,691 6.271,692 7.171,693 8.077,694 8.983,695 9.891,696 10.798,697 11.706,698 6.9,702 1,708 1,714 2,715 3,716 1,720 4,722 11,733 1,740 1,741 29,743 11,744 1,745 18,747 31,748 13,749 9,750 3,751 3,756 3,757 6,758 1,767 4,770 4,772 9,773 4,790 1,793 13,794 2,795 2,796 3,797 1,802 2,808 0.333,822 1,829 3,833 2,859 1,865 1,868 16,869 1,876 4,892 1,901 8,902 5.176,903 3.472,904 1.92,907 2.421,908 1.372,909 1.044,910 2.341,911 8.927,912 3.199,913 3.882,914 4.567,915 5.212,916 5.831,917 6.17,918 6.53,919 6.819,920 7.131,921 6.888,922 0.75,923 28,924 5.914,926 2.566,927 0.026,929 7.569,931 11.605,933 10.024,936 2.069,937 33.111,938 0.005,941 129.482,942 55.484,943 49.683,944 39.149,948 55.484,949 168.631,950 49.683,952 10.138,953 61.326,954 16.786,955 16.917,957 129.482,958 39.149,959 129.482,960 105.166,962 39.149,964 129.482,968 15.039,969 73.342,970 55.934,972 129.482,973 49.683,974 94.632,977 129.482,978 27.055,979 28.429,981 88.831,982 129.482,983 49.683,984 94.632,986 0.589,987 0.365,988 0.207,989 0.115,990 15,991 6,994 2,995 1.286,996 2.783,997 117.822,998 0.286,999 14,1000 64,1005 10.064,1006 3.722,1007 1.532,1008 1.843,1009 49.683,1010 5.794,1011 4.664,1015 3.949,1017 32.897,1018 273.797,1019 23.5,1031 28.829,1032 32.432,1034 0.303,1035 0.72,1036 0.824,1037 0.901,1038 0.929,1039 0.929,1040 4.44,1041 0.166,1042 5.371,1043 2.14,1044 3.97,1045 4.564,1047 6.24,1048 3.892,1049 5.674,1050 -0.332,1051 6.967,1052 0.407,1053 3.611,1054 4.559,1056 7.256,1057 3.453,1058 7.015,1059 -0.533,1060 8.67,1061 -0.81,1062 5.609,1063 6.913,1065 10.414,1066 5.473,1067 8.4,1068 -0.854,1069 10.434,1070 -1.304,1071 6.089,1072 7.751,1074 12.248,1075 5.885,1076 9.82,1077 -1.168,1078 12.237,1079 -2.046,1080 7.569,1081 9.599,1083 14.929,1084 7.377,1085 11.265,1086 -1.341,1087 14.065,1088 -3.196,1089 8.432,1090 10.814,1092 17.091,1093 8.189,1094 12.728,1095 -1.559,1096 15.911,1097 -3.57,1098 9.711,1099 12.466,1101 19.606,1102 9.465,1103 3.246,1104 -1.822,1105 17.771,1106 -4.353,1107 10.746,1108 13.854,1110 21.909,1111 10.461,1112 2.67,1113 11.294,1114 19.64,1115 -5.527,1116 11.95,1117 15.429,1119 24.364,1120 11.651,1121 2.215,1122 8.938,1123 21.517,1124 4.626,1125 13.06,1126 16.895,1128 26.73,1129 12.729,1130 1.64,1131 6.892,1132 23.399,1133 3.572,1134 14.238,1135 18.441,1137 29.163,1138 13.888,1139 1.461,1140 4.613,1141 25.287,1142 2.991,1143 15.382,1144 19.942,1146 31.558,1147 15.003,1148 1.329,1149 3.298,1150 27.18,1151 2.246,1152 16.553,1153 21.477,1155 33.983,1156 16.151,1157 0.883,1158 2.995,1159 29.076,1160 1.896,1161 17.713,1162 22.994,1164 36.392,1165 17.283,1166 1779,1167 2886,1168 12.137,1169 20.438,1170 27.285,1171 27.961,1172 28.43,1173 27.325,1174 27.217,1175 35.972,1177 81.154,1178 25.966,1179 5.618,1180 5.4,1181 6.523,1182 5.26,1183 5.246,1184 7.626,1186 18.893,1187 5.157,1188 6.061,1189 1.516,1190 1.553,1191 1.579,1192 1.518,1193 1.512,1194 1.998,1196 4.509,1197 1.443,1198 4.108,1199 4.134,1200 4.14,1201 4.042,1202 5.164,1203 4.045,1204 3.736,1205 3.78,1206 3.731,1207 3.658,1208 4.898,1209 3.643,1210 3.307,1211 3.374,1212 3.384,1213 3.179,1214 4.503,1215 3.17,1216 3.143,1217 3.22,1218 3.095,1219 2.979,1220 4.263,1221 2.976,1222 2.935,1223 3.018,1224 2.947,1225 2.804,1226 3.971,1227 2.775,1228 2.73,1229 2.83,1230 2.614,1231 2.55,1232 3.531,1233 2.534,1234 2.638,1235 2.709,1236 2.499,1237 2.369,1238 3.311,1239 2.385,1240 2.06,1241 2.185,1242 2.242,1243 1.768,1244 3.179,1245 1.747,1246 0.26,1247 0.189,1248 0.38,1249 0.234,1250 0.18,1251 4.673,1252 0.257,1253 3.4,1255 6.842,1256 0.627,1257 4.218,1258 0.175,1259 3.246,1260 4.626,1262 11.294,1263 3.157,1264 2.066,1265 2.044,1266 2.142,1267 2.152,1268 1.428,1269 2.153,1270 1.751,1271 1.709,1272 1.929,1273 1.864,1274 1.138,1275 1.893,1276 1.29,1277 1.236,1278 1.495,1279 1.485,1280 0.753,1281 1.495,1282 1.134,1283 1.059,1284 1.435,1285 1.349,1286 0.601,1287 1.381,1288 0.916,1289 0.859,1290 1.154,1291 1.171,1292 0.214,1293 1.184,1294 0.693,1295 0.624,1296 0.992,1297 0.949,1298 0.117,1299 0.985,1300 0.63,1301 0.509,1302 0.955,1303 0.852,1305 0.897,1306 0.053,1308 0.674,1309 0.449,1311 0.536,1312 3.611,1314 4.949,1316 6.521,1318 8.201,1320 9.936,1323 6.153,1326 6.21,1328 4.498,1340 19.031,1341 42.67,1342 101.372,1343 116.127,1344 126.881,1345 130.881,1346 130.881,1347 19.149,1348 6.506,1349 38.91,1350 38.91,1351 18,1352 12.223,1353 3.585,1354 2.7,1355 21.595,1356 38,1357 22,1358 0.332,1359 120.575,1360 198.59,1361 285.963,1362 4762,1363 3.4,1364 11.121,1365 0.695,1366 0.607,1367 11.621,1368 9.719,1369 7.771,1370 0.432,1371 0.334,1372 5.631,1373 7.388,1374 5.479,1375 4.505,1376 8.06,1377 6.004,1378 7.039,1379 0.271,1380 0.181,1381 7.41,1382 4.701,1383 6.371,1384 0.172,1385 0.097,1386 6.73,1387 3.593,1388 5.474,1389 0.109,1390 0.053,1391 5.768,1392 2.664,1393 4.601,1394 0.07,1395 0.03,1396 4.883,1397 1.984,1398 0.477,1399 50.497,1400 0.287,1401 15.472,1402 1.051,1403 88,1404 205.161,1405 106.6,1406 237.615,1407 325.62,1408 222,1409 107,1410 226.525,1411 122.699,1412 242.151,1413 360.27,1414 230,1415 7.162}
{0 CHEMBL369772,1 1.508,2 6.909,3 0.806,4 0.65,5 41.152,6 6.201,8 3.304,9 3.438,10 2.637,11 2.597,12 4.381,13 2.579,14 3.845,15 4.062,16 2.779,17 2.848,18 4.964,19 2.757,20 4.014,21 4.301,22 2.667,23 2.847,24 4.973,25 2.72,26 3.84,27 4.104,28 2.554,29 2.671,30 4.878,31 2.592,32 3.695,33 3.941,34 2.484,35 2.526,36 5.034,37 2.457,38 3.524,39 3.769,40 2.17,41 2.41,42 4.585,43 2.302,44 3.427,45 3.686,46 1.8,47 2.259,48 4.398,49 2.106,50 3.183,51 3.49,52 1.497,53 2.087,54 3.932,55 1.859,56 0.058,57 0.288,58 6.495,59 2.075,60 8.425,61 3.169,62 0.363,63 0.362,64 11.414,65 2.885,66 34.167,67 4.679,68 0.379,69 0.357,70 13.104,71 2.874,72 40.199,73 5.054,74 0.283,75 0.3,76 11.183,77 2.17,78 34.414,79 3.974,80 0.39,81 0.253,82 9.958,83 1.923,84 55.071,85 3.355,86 0.201,87 0.212,88 8.03,89 1.846,90 27.358,91 3.084,92 0.226,93 0.177,94 7.247,95 1.619,96 29.417,97 2.7,98 0.101,99 0.147,100 5.293,101 1.422,102 14.579,103 2.386,104 25,105 10,106 0.321,107 0.574,108 0.814,109 0.879,110 0.879,111 0.879,112 2.511,113 1.147,114 -1.31,115 -1.4,116 -1.46,121 26.9,122 1,123 2,127 3,161 1,176 2,179 1,183 2,185 1,187 1,195 1,197 1,206 2,211 1,219 2,222 1,223 1,232 2,249 1,261 1,274 1,281 114,282 7.397,283 7.397,284 7.397,285 7.397,286 7.397,287 7.243,288 6.939,289 5.128,290 7.635,291 4.881,292 4.881,293 4.881,294 4.881,295 4.881,296 4.578,297 5.917,298 2.377,299 5.236,300 3.193,301 2.004,302 0.875,303 0.567,304 0.567,305 0.567,306 3.075,311 1,312 1,313 133,314 3.162,325 1.19,326 14.081,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 25.5,338 76,339 3.658,340 3.637,341 5.034,342 3.316,343 2.379,344 2.828,345 2.186,346 6.088,347 2.203,348 2.65,349 2.036,350 3.636,351 2.608,352 1.641,353 1.648,354 0.366,355 3.147,356 1.585,357 2.434,358 1.782,359 3.29,360 2.305,361 1.372,362 1.414,364 2.449,365 1.262,366 1.76,367 1.193,368 2.635,369 1.661,370 0.707,371 0.722,373 1.139,374 0.668,375 1.292,376 1.035,377 2,378 1.029,379 0.161,380 0.169,382 0.234,383 0.138,384 0.762,385 0.177,386 1.459,387 0.594,388 -0.405,389 -0.434,391 -0.636,392 -0.395,393 0.205,394 -0.253,395 1,396 -0.053,397 -1,398 -1.104,400 -1.801,401 -0.928,402 -0.202,403 -0.928,404 0.722,405 -0.279,406 -1.254,407 -1.414,409 -2.449,410 -1.246,411 -0.656,412 -1.237,413 0.138,414 -0.763,415 -1.698,416 -1.893,417 -0.85,418 -3.521,419 -1.526,420 -0.902,421 -1.663,422 0.087,423 -1.017,424 -1.903,425 -1.936,426 -1.702,427 -4.651,428 -1.76,474 4.9,475 0.445,476 0.106,477 0.01,478 8,479 0.727,480 1.5,481 0.136,482 6.5,483 0.591,484 8.163,485 0.742,486 14.9,487 0.573,488 4.863,489 0.442,490 1.706,491 0.155,492 3.602,493 0.327,494 0.238,496 0.102,501 0.911,502 1.923,503 1.03,504 1.74,505 0.781,506 1.436,507 0.758,508 1.272,509 1.063,510 1.304,511 0.649,512 1.271,513 0.826,514 0.939,515 0.832,516 0.874,517 0.751,518 0.854,519 1.257,520 1.014,521 1.048,522 0.904,523 1.279,524 0.905,525 1.199,526 0.737,527 1.133,528 0.794,529 1.274,530 0.915,531 1.284,532 1.01,533 1.143,534 1.085,535 1.336,536 1.084,537 1.447,538 0.785,539 1.264,540 0.872,541 1.481,542 1.027,543 0.578,544 1.044,545 0.882,546 1.151,547 0.668,548 1.113,549 1.5,551 0.667,552 0.375,553 0.24,554 0.111,555 0.041,556 0.031,557 0.025,559 590,560 1863,561 1.718,562 57.7,563 5,564 6,567 2,569 2,572 1.415,573 1.61,574 2.872,575 0.748,582 39.202,583 1.508,584 2.696,585 3.825,586 4.133,587 4.133,588 4.133,589 2.3,590 3.278,591 3.423,592 2.927,593 160.991,594 5.538,595 1107.68,600 122.211,601 1.241,602 3.384,603 0.15,605 0.067,606 0.042,607 0.03,608 0.016,609 0.008,610 0.01,611 0.012,613 0.335,614 0.67,615 1,616 2.3,617 39.255,618 -0.101,619 -0.331,620 -0.032,621 -0.233,622 -0.082,623 -0.121,624 0.197,625 -0.098,626 -0.077,627 -0.185,628 0.102,629 -0.212,630 0.062,631 -0.045,632 0.104,633 0.034,634 0.02,635 0.078,636 -0.203,637 -0.075,638 -0.052,639 -0.022,640 -0.168,641 0.007,642 0.024,643 0.215,644 -0.087,645 0.061,646 0.114,647 -0.027,648 -0.206,649 -0.061,650 -0.161,651 -0.1,652 -0.148,653 -0.116,654 -0.291,655 0.053,656 -0.282,657 0.037,658 -0.253,659 -0.113,660 0.02,661 -0.149,662 -0.047,663 -0.162,664 -0.017,665 -0.128,666 2.118,667 3.632,669 7.008,670 1.01,671 1.155,672 0.083,673 0.007,674 0.565,675 2.398,676 2.398,677 2.303,678 2.197,679 2.079,680 1.792,681 1.386,682 1.099,683 0.693,685 4.2,686 0.533,687 161.23,688 2.398,689 3.714,690 4.369,691 5.069,692 5.753,693 6.463,694 7.157,695 7.872,696 8.57,697 9.288,698 3.8,705 1,741 26,743 1,745 10,747 25,748 7,763 2,770 2,772 1,773 6,777 1,782 1,786 1,793 15,794 4,795 2,796 4,802 1,809 3,810 1,856 1,857 1,864 1,868 11,875 1,876 5,877 1,878 1,893 11.5,894 1,896 1,898 1,901 6.833,902 4.533,903 2.917,904 1.704,907 0.139,908 1.033,909 0.796,910 7.355,911 4.344,912 2.485,913 2.565,914 2.485,915 2.398,916 2.303,917 1.946,918 1.386,919 1.099,920 0.693,922 0.8,923 9,924 4.039,925 -0.011,926 1.438,927 0.026,929 8.242,931 7.517,932 -0.004,933 5.06,934 0.014,935 0.001,936 2.742,937 30.167,938 0.01,941 153.024,942 27.355,943 18.011,945 78.828,948 27.355,949 231.852,950 18.011,951 8.825,952 29.778,953 42.683,954 25.145,955 11,956 6.763,957 153.024,959 153.024,960 45.366,961 78.828,964 129.482,965 59.687,966 42.683,968 38.603,969 6.763,972 153.024,973 96.839,974 27.355,977 153.024,978 18.53,979 8.825,980 18.011,981 78.828,982 153.024,983 96.839,984 27.355,986 0.494,987 0.248,988 0.114,989 0.062,990 1,991 1,992 0.24,993 6,996 2.329,997 43.681,1000 38.054,1005 10.558,1006 7.663,1007 7.455,1009 96.839,1017 60.694,1018 277.218,1019 11,1024 10.632,1028 -0.451,1031 26.269,1032 30.033,1034 0.321,1035 0.574,1036 0.814,1037 0.879,1038 0.879,1039 0.879,1040 3.526,1041 -1.254,1042 4.174,1043 -1.801,1044 3.045,1045 3.219,1046 2.255,1047 4.595,1048 2.913,1049 4.5,1050 -1.698,1051 5.493,1052 -2.449,1053 1.946,1054 2.565,1055 1.784,1056 4.691,1057 1.822,1058 5.628,1059 -1.903,1060 6.913,1061 -3.521,1062 4.234,1063 4.691,1064 3.49,1065 7.687,1066 3.947,1067 6.793,1069 8.394,1070 -4.651,1071 3.932,1072 4.949,1073 3.59,1074 8.69,1075 3.621,1076 8.002,1078 9.916,1080 5.652,1081 6.475,1082 4.905,1083 11.073,1084 5.204,1085 9.235,1087 11.467,1089 5.82,1090 7.162,1091 5.289,1092 12.466,1093 5.33,1094 10.486,1096 13.037,1098 7.201,1099 8.421,1100 6.387,1101 14.578,1102 6.593,1103 2.379,1105 14.621,1107 7.647,1108 9.302,1109 6.93,1110 16.16,1111 6.985,1112 1.641,1113 6.088,1114 16.215,1116 8.826,1117 10.441,1118 7.902,1119 18.135,1120 8.061,1121 1.372,1122 3.147,1123 17.816,1124 2.828,1125 9.439,1126 11.409,1127 8.539,1128 19.815,1129 8.61,1130 0.707,1131 2.449,1132 19.421,1133 1.648,1134 10.496,1135 12.495,1136 9.436,1137 21.717,1138 9.575,1139 0.161,1140 1.139,1141 21.029,1142 1.414,1143 11.208,1144 13.502,1145 10.13,1146 23.452,1147 10.219,1148 -0.405,1149 0.234,1150 22.64,1151 0.722,1152 12.192,1153 14.562,1154 10.981,1155 25.312,1156 11.116,1157 -1,1158 -0.636,1159 24.253,1160 0.169,1161 12.964,1162 15.587,1163 11.71,1164 27.078,1165 11.816,1166 729,1167 1369,1168 5.951,1169 14.699,1170 12.587,1171 13.588,1172 13.188,1173 12.438,1174 12.519,1175 13.562,1176 5.105,1177 26.117,1178 11.711,1179 4.56,1180 5.3,1181 4.947,1182 4.334,1183 4.282,1184 4.764,1185 3.889,1186 10.739,1187 3.963,1188 6.354,1189 1.259,1190 1.359,1191 1.319,1192 1.244,1193 1.252,1194 1.356,1195 0.511,1196 2.612,1197 1.171,1198 3.737,1199 3.8,1200 3.615,1201 3.551,1202 7.435,1203 3.544,1204 3.561,1205 3.604,1206 3.405,1207 3.306,1208 6.456,1209 3.328,1210 3.33,1211 3.405,1212 3.169,1213 3.063,1214 4.431,1215 3.075,1216 3.006,1217 3.061,1218 2.793,1219 2.712,1220 4.181,1221 2.732,1222 2.584,1223 2.683,1224 2.319,1225 2.186,1226 3.861,1227 2.183,1228 2.424,1229 2.526,1230 2.103,1231 2.046,1232 3.226,1233 2.046,1234 2.011,1235 2.184,1236 1.546,1237 1.605,1238 3.01,1239 1.554,1240 1.879,1241 2.032,1242 1.429,1243 1.295,1244 2.49,1245 1.302,1246 0.366,1247 0.364,1248 0.503,1249 0.332,1250 0.238,1251 3.658,1252 0.283,1253 3.637,1254 0.219,1255 5.034,1256 0.609,1257 3.316,1258 0.22,1259 2.379,1260 2.828,1261 2.186,1262 6.088,1263 2.203,1264 1.702,1265 1.633,1266 1.972,1267 1.913,1268 1.254,1269 1.93,1270 1.478,1271 1.434,1272 1.743,1273 1.769,1274 0.948,1275 1.759,1276 1.274,1277 1.192,1278 1.6,1279 1.571,1280 0.753,1281 1.58,1282 0.912,1283 0.865,1284 1.194,1285 1.262,1286 0.256,1287 1.246,1288 0.52,1289 0.404,1290 0.992,1291 0.948,1292 0.063,1293 0.964,1294 0.377,1295 0.272,1296 0.843,1297 0.787,1299 0.812,1300 0.048,1302 0.667,1303 0.487,1305 0.555,1308 0.469,1309 0.387,1311 0.431,1312 3.045,1314 4.111,1316 5.333,1318 6.629,1320 7.969,1322 2.042,1327 8.282,1328 2.578,1329 2.546,1330 4.538,1340 13.853,1341 39.202,1342 70.106,1343 99.457,1344 107.457,1345 107.457,1346 107.457,1347 24.648,1348 4.205,1349 58.56,1350 58.56,1352 9.963,1353 1,1354 1,1355 32.138,1356 26,1357 25,1358 0.614,1359 93.772,1360 164.39,1361 220.565,1362 200,1364 8.527,1365 0.775,1366 0.618,1367 8.527,1368 6.799,1369 5.308,1370 0.531,1371 0.382,1372 3.735,1373 4.948,1374 3.655,1375 3.109,1376 5.308,1377 3.824,1378 3.743,1379 0.374,1380 0.214,1381 3.743,1382 2.14,1383 2.351,1384 0.261,1385 0.125,1386 2.351,1387 1.124,1388 1.44,1389 0.18,1390 0.07,1391 1.44,1392 0.557,1393 0.943,1394 0.135,1395 0.039,1396 0.943,1397 0.274,1398 0.969,1399 34.495,1400 0.41,1401 11.899,1402 1.612,1403 40,1404 183.954,1405 49.249,1406 161.698,1407 198.46,1408 150,1409 39,1410 120.296,1411 46.257,1412 116.161,1413 165.12,1414 108,1415 5.824}
{0 CHEMBL370059,1 1.416,2 8.526,3 2.724,4 7.422,5 68.831,6 8.767,7 0.6,8 3.467,9 3.531,10 3.144,11 3.11,12 4.829,13 3.11,14 3.884,15 3.964,16 3.477,17 3.439,18 5.378,19 3.428,20 4.146,21 4.276,22 3.565,23 3.506,24 5.698,25 3.492,26 4.144,27 4.281,28 3.424,29 3.322,30 5.7,31 3.333,32 3.976,33 4.115,34 3.218,35 3.125,36 5.52,37 3.148,38 3.685,39 3.81,40 3.016,41 3.033,42 5.099,43 3.013,44 3.67,45 3.82,46 2.955,47 2.964,48 5.324,49 2.911,50 3.574,51 3.775,52 2.684,53 2.732,54 5.187,55 2.649,56 0.084,57 0.314,58 3.775,59 2.575,60 20.23,61 2.56,62 0.189,63 0.484,64 6.11,65 3.992,66 44.984,67 4.206,68 0.297,69 0.643,70 10.48,71 5.352,72 67.264,73 5.92,74 0.385,75 0.631,76 12.03,77 5.146,78 80.076,79 4.913,80 0.434,81 0.526,82 11.192,83 4.234,84 99.631,85 3.618,86 0.214,87 0.398,88 6.836,89 3.267,90 52.074,91 3.19,92 0.302,93 0.399,94 7.066,95 3.345,96 67.41,97 3.912,98 0.314,99 0.371,100 7.83,101 3.171,102 70.068,103 4.047,104 18,105 27,106 0.268,107 0.472,108 0.562,109 0.696,110 0.789,111 0.802,112 3.009,113 0.835,114 -3.74,115 -3.7,116 -3.52,121 51.7,144 9,145 3,159 2,160 1,170 1,174 1,176 12,177 1,180 3,183 1,185 1,187 12,188 2,191 1,192 8,197 2,200 7,201 2,206 10,211 2,214 4,215 1,219 7,224 1,227 8,232 2,233 1,239 10,243 1,245 1,247 1,251 8,252 1,255 1,256 1,259 1,261 1,264 4,265 2,269 2,274 2,277 1,278 2,281 425,282 12.535,283 12.535,284 12.535,285 12.535,286 12.535,287 10.796,288 4.025,289 7.417,290 12.493,291 9.803,292 9.803,293 9.803,294 9.803,295 9.803,296 7.127,297 2.24,298 3.469,299 9.696,300 3.442,301 2.364,302 1.889,303 1.182,304 0.69,305 0.621,306 3.662,311 1,312 1,313 333,314 3.24,318 134.845,325 1.396,326 32.525,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 42,338 162,339 4.395,340 3.837,341 6.527,342 4.078,343 3.046,344 3.952,345 1.437,346 10.029,347 3.14,348 4.119,349 3.575,350 5.931,351 3.745,352 2.739,353 3.67,355 8.219,356 2.743,357 3.814,358 2.982,359 5.671,360 3.427,361 2.417,362 3.247,364 7.438,365 2.435,366 3.286,367 2.261,368 4.577,369 2.809,370 1.787,371 2.566,373 4.465,374 1.818,375 2.887,376 2.155,377 3.832,378 2.39,379 1.373,380 1.97,382 3.094,383 1.384,384 2.613,385 1.669,386 3.589,387 2.095,388 1.075,389 1.575,391 2.619,392 1.084,393 2.5,394 1.323,395 3.414,396 2,397 1,398 1.5,400 2.275,401 1,402 2.5,403 1,404 3.247,405 2,406 1,407 1.5,409 2.136,410 1,411 2.22,412 1,413 3.078,414 1.559,415 0.448,416 0.739,418 1.031,419 0.492,420 0.961,421 0.458,422 2.222,423 0.499,424 -0.534,425 -0.732,427 -1.214,428 -0.541,429 0.75,430 -0.064,431 2,432 0.28,433 -0.751,434 -1.101,436 -1.609,437 -0.771,438 0.5,439 -0.386,440 1.814,442 -1,443 -1.372,445 -2,446 -0.972,447 0.5,448 -0.797,449 1.555,451 -1,452 -1.5,454 -2.347,455 -1,456 0.435,457 -1,458 1.515,459 -0.008,460 -1,461 -1.5,463 -3,464 -1,465 0.196,466 -1,467 1.244,468 -0.229,469 -1.33,470 -1.917,472 -3.415,473 -1.469,474 8.833,475 0.465,476 0.494,477 0.026,478 27.5,479 1.447,480 16.5,481 0.868,482 11,483 0.579,484 9.829,485 0.517,486 19.367,487 0.668,488 20.07,489 1.056,490 5.874,491 0.309,492 3.218,493 0.169,494 0.151,496 0.34,501 0.638,502 0.838,503 0.664,504 0.832,505 0.648,506 0.776,507 0.485,508 1.05,509 0.752,510 1.059,511 0.543,512 1.009,513 0.685,514 1.128,515 0.821,516 1.125,517 0.686,518 1.045,519 1.383,520 1.101,521 1.129,522 1.08,523 1.361,524 1.038,525 1.758,526 0.767,527 1.251,528 0.746,529 1.801,530 0.812,531 1.13,532 0.992,533 1.132,534 0.999,535 1.211,536 1.048,537 0.452,538 1.095,539 0.957,540 1.132,541 0.491,542 1.187,543 0.384,544 0.964,545 0.881,546 1.004,547 0.404,548 1.076,549 3.5,550 0.037,551 2.667,552 1.438,553 0.973,554 0.597,555 0.243,556 0.174,557 0.131,558 0.07,559 3092,560 11599,561 1.965,562 34.5,564 9,567 1,572 1.601,573 1.81,574 3.107,575 -0.301,577 1,578 1,579 1,582 41.059,583 1.416,584 2.494,585 2.969,586 3.676,587 4.168,588 4.237,589 2.55,590 3.722,591 4.218,592 3.219,593 550.49,594 7.175,595 5410.14,596 1,597 1,599 1,600 140.881,601 1.509,602 4.159,603 0.175,604 0.007,605 0.099,606 0.051,607 0.042,608 0.031,609 0.015,610 0.012,611 0.013,612 0.01,613 0.457,614 0.5,615 1,616 0.92,617 82.719,618 -0.058,619 0.1,620 -0.02,621 0.098,622 -0.095,623 0.063,624 0.139,625 -0.113,626 -0.049,627 -0.127,628 0.084,629 -0.142,630 0.103,631 -0.176,632 0.071,633 -0.168,634 0.131,635 -0.087,636 -0.225,637 -0.134,638 -0.113,639 -0.123,640 -0.18,641 -0.093,642 -0.396,643 0.22,644 -0.178,645 0.22,646 -0.386,647 0.125,648 -0.201,649 -0.033,650 -0.226,651 -0.044,652 -0.235,653 -0.117,654 0.363,655 -0.136,656 0.001,657 -0.161,658 0.316,659 -0.187,660 0.447,661 0.012,662 0.231,663 0.004,664 0.413,665 0.036,666 2.742,667 4.929,668 0.632,669 13.374,670 1.025,671 1.1,672 2.509,673 6.296,674 0.711,675 3.045,676 3.332,677 3.555,678 3.664,679 3.807,680 3.761,681 3.807,682 3.611,683 3.497,684 3.367,685 5.092,686 0.707,687 254.25,688 3.045,689 4.554,690 5.38,691 6.225,692 7.067,693 7.917,694 8.765,695 9.617,696 10.467,697 11.32,715 9,720 3,722 12,727 2,731 1,741 29,743 15,744 2,745 20,747 30,748 15,749 12,750 3,751 9,752 3,756 2,757 2,772 15,777 3,782 3,786 3,790 1,793 10,794 4,795 1,796 4,808 1,809 4,829 2,857 1,859 2,868 19,875 1,893 13.8,895 1,896 3,901 10.5,902 5.2,903 4.278,904 1.592,907 2.207,908 1.365,909 0.932,910 3.647,911 8.25,912 3.401,913 3.951,914 4.511,915 4.945,916 5.421,917 5.504,918 5.829,919 5.686,920 5.768,921 6.019,922 0.833,923 28,924 7.035,926 3.055,927 0.026,929 8.395,931 12.554,933 9.881,936 2.895,937 55,941 105.94,942 106.02,945 118.118,948 106.02,949 224.058,953 85.286,954 129.295,955 9.557,957 105.94,959 105.94,960 106.02,961 118.118,964 105.94,965 118.118,969 106.02,972 105.94,973 118.118,974 106.02,977 105.94,978 20.734,979 85.286,981 118.118,982 105.94,983 118.118,984 106.02,986 0.58,987 0.341,988 0.162,989 0.081,990 12,991 6,992 0.133,993 4,995 1,996 3.096,997 130.951,999 12,1000 72.711,1005 12.874,1006 5.382,1007 2.817,1009 118.118,1010 13.504,1015 0.567,1017 42.683,1018 330.078,1019 29,1024 34.513,1028 -2.333,1031 29.727,1032 31.914,1034 0.291,1035 0.513,1036 0.611,1037 0.757,1038 0.858,1039 0.872,1040 4.595,1041 1,1042 5.361,1043 2.275,1044 4.007,1045 4.635,1046 1.635,1047 6.138,1048 4.035,1049 5.804,1050 0.448,1051 6.917,1052 2.136,1053 3.611,1054 4.35,1056 7.029,1057 3.668,1058 7.099,1059 -0.534,1060 8.578,1061 1.031,1062 5.572,1063 6.775,1064 2.253,1065 10.087,1066 5.632,1067 8.431,1068 -0.751,1069 10.299,1070 -1.214,1071 5.994,1072 7.287,1074 11.774,1075 6.098,1076 9.795,1077 -1,1078 12.058,1079 -1.609,1080 7.438,1081 9.181,1082 2.922,1083 14.355,1084 7.543,1085 11.18,1086 -1,1087 13.841,1088 -2,1089 8.215,1090 10.06,1092 16.356,1093 8.367,1094 12.582,1095 -1,1096 15.64,1097 -2.347,1098 9.451,1099 11.713,1100 3.619,1101 18.768,1102 9.611,1103 3.046,1104 -1.33,1105 17.452,1106 -3,1107 10.393,1108 12.786,1110 20.913,1111 10.598,1112 2.739,1113 10.029,1114 19.272,1115 -3.415,1116 11.541,1117 14.313,1118 4.33,1119 23.258,1120 11.764,1121 2.417,1122 8.219,1123 21.098,1124 3.952,1125 12.561,1126 15.497,1128 25.476,1129 12.825,1130 1.787,1131 7.438,1132 22.93,1133 3.67,1134 13.675,1135 16.953,1136 5.047,1137 27.795,1138 13.963,1139 1.373,1140 4.465,1141 24.767,1142 3.247,1143 14.734,1144 18.205,1146 30.051,1147 15.06,1148 1.075,1149 3.094,1150 26.607,1151 2.566,1152 15.835,1153 19.62,1154 5.769,1155 32.359,1156 16.191,1157 1,1158 2.619,1159 28.451,1160 1.97,1161 16.914,1162 20.913,1164 34.636,1165 17.306,1166 3168,1167 6217,1168 12.83,1169 20.625,1170 30.568,1171 32.461,1172 31.133,1173 29.846,1174 29.769,1175 41.437,1176 2.873,1177 82.612,1178 30.194,1179 5.217,1180 5.837,1181 6.329,1182 5.078,1183 5.046,1184 6.952,1185 2.873,1186 17.156,1187 5.14,1188 10.3,1189 1.528,1190 1.623,1191 1.557,1192 1.492,1193 1.488,1194 2.072,1195 0.144,1196 4.131,1197 1.51,1198 3.989,1199 4.002,1200 3.947,1201 3.92,1202 7.497,1203 3.923,1204 3.868,1205 3.892,1206 3.807,1207 3.81,1208 7.474,1209 3.805,1210 3.46,1211 3.444,1212 3.434,1213 3.274,1214 7.352,1215 3.311,1216 3.179,1217 3.165,1218 3.13,1219 2.927,1220 6.351,1221 2.97,1222 2.854,1223 2.925,1224 2.697,1225 2.735,1226 4.727,1227 2.715,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 4.652,1233 2.715,1234 2.776,1235 2.796,1236 2.687,1237 2.551,1238 3.674,1239 2.585,1240 2.444,1241 2.482,1242 2.325,1243 2.179,1244 3.674,1245 2.215,1246 0.22,1247 0.192,1248 0.326,1249 0.204,1250 0.152,1251 4.395,1252 0.198,1253 3.837,1254 0.072,1255 6.527,1256 0.501,1257 4.078,1258 0.157,1259 3.046,1260 3.952,1261 1.437,1262 10.029,1263 3.14,1264 1.949,1265 1.934,1266 2.041,1267 2.035,1268 1.12,1269 2.035,1270 1.871,1271 1.847,1272 1.984,1273 1.952,1274 1.056,1275 1.963,1276 1.335,1277 1.343,1278 1.394,1279 1.555,1280 0.384,1281 1.494,1282 1.019,1283 1.021,1284 1.181,1285 1.324,1286 0.218,1287 1.256,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.886,1295 0.821,1296 1.15,1297 1.062,1298 0.168,1299 1.107,1300 0.681,1301 0.66,1302 0.899,1303 0.94,1305 0.934,1306 0.348,1307 0.312,1308 0.67,1309 0.671,1311 0.672,1312 3.714,1314 5.004,1316 6.5,1318 8.075,1320 9.688,1327 8.75,1340 20.493,1341 41.059,1342 72.313,1343 86.087,1344 106.617,1345 120.881,1346 122.881,1347 47.014,1348 6.043,1349 71.44,1350 71.44,1351 12,1352 11.876,1353 4,1354 3.322,1355 33.737,1356 57,1357 52,1358 0.296,1359 129.507,1360 232.94,1361 307.757,1362 2624,1364 13.828,1365 0.728,1366 0.519,1367 13.828,1368 9.868,1369 9.092,1370 0.455,1371 0.278,1372 5.511,1373 8.824,1374 5.402,1375 4.492,1376 9.092,1377 5.568,1378 8.035,1379 0.298,1380 0.145,1381 8.035,1382 3.907,1383 6.726,1384 0.198,1385 0.078,1386 6.726,1387 2.636,1388 4.856,1389 0.128,1390 0.043,1391 4.856,1392 1.616,1393 3.552,1394 0.081,1395 0.023,1396 3.552,1397 1.022,1398 0.457,1399 56.863,1400 0.279,1401 19.081,1402 0.825,1403 94,1404 353.356,1405 102.636,1406 338.487,1407 436.63,1408 310,1409 108,1410 295.939,1411 116.084,1412 300.914,1413 435.62,1414 282,1415 4}
{0 CHEMBL370299,1 1.392,2 9.7,3 2.691,4 7.24,5 75.522,6 7.564,7 0.571,8 3.672,9 3.757,10 3.233,11 3.203,12 4.879,13 3.196,14 4.152,15 4.285,16 3.529,17 3.525,18 5.315,19 3.51,20 4.316,21 4.45,22 3.645,23 3.641,24 5.668,25 3.614,26 4.402,27 4.565,28 3.486,29 3.606,30 5.669,31 3.542,32 4.411,33 4.643,34 3.307,35 3.497,36 5.555,37 3.398,38 4.171,39 4.393,40 3.195,41 3.299,42 5.346,43 3.214,44 3.917,45 4.085,46 3.098,47 3.161,48 5.177,49 3.091,50 3.957,51 4.169,52 2.864,53 3.003,54 5.101,55 2.925,56 0.054,57 0.433,58 7.029,59 3.602,60 10.381,61 4.154,62 0.223,63 0.667,64 13.129,65 5.526,66 25.243,67 6.417,68 0.291,69 0.786,70 15.364,71 6.541,72 46.242,73 7.775,74 0.287,75 0.839,76 17.633,77 7.013,78 43.566,79 8.463,80 0.328,81 0.832,82 19.605,83 7.111,84 56.913,85 9.32,86 0.425,87 0.651,88 15.393,89 5.561,90 50.666,91 7.351,92 0.304,93 0.518,94 10.799,95 4.383,96 29.228,97 5.571,98 0.239,99 0.512,100 12.382,101 4.303,102 38.533,103 5.407,104 21,105 28,106 0.255,107 0.572,108 0.654,109 0.736,110 0.766,111 0.776,112 3.057,113 0.88,114 -3.33,115 -3.31,116 -3.17,121 44.4,126 2,129 1,144 8,145 2,146 2,159 1,176 8,180 5,185 1,187 8,192 7,195 1,197 3,200 5,206 6,211 4,214 4,219 2,224 2,227 8,231 1,235 1,239 8,243 1,244 2,247 1,251 4,256 4,269 4,281 500,282 13.516,283 13.516,284 13.516,285 13.516,286 13.516,287 12.026,288 15.002,289 7.864,290 13.875,291 10.156,292 10.156,293 10.156,294 10.156,295 10.156,296 7.785,297 15.845,298 3.525,299 10.54,300 3.778,301 2.046,302 1.597,303 1.153,304 0.986,305 0.931,306 3.713,310 1,311 1,312 1,313 398,314 3.162,318 143.682,325 1.5,326 24.718,328 1,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 44,338 194,339 4.327,340 3.831,341 6.528,342 4.048,343 3.047,344 3.848,345 1.848,346 10.031,347 3.047,348 4.037,349 2.931,350 5.736,351 3.619,352 2.641,353 3.641,354 0.86,355 7.745,356 2.584,357 3.773,358 2.823,359 5.318,360 3.379,361 2.432,362 3.147,363 0.86,364 6.818,365 2.297,366 3.485,367 2.669,368 5.233,369 3.126,370 2.17,371 2.776,372 0.443,373 6.487,374 2.058,375 2.878,376 1.986,377 4.473,378 2.452,379 1.471,380 1.957,382 4.062,383 1.43,384 2.5,385 1.568,386 3.414,387 2,388 1,389 1.5,391 2.275,392 1,393 2.5,394 1.066,395 3.414,396 2,397 1,398 1.5,400 2.275,401 1,402 2.027,403 1.01,404 3.343,405 1.662,406 0.724,407 0.86,409 1.484,410 0.662,411 1.642,412 1,413 2.751,414 1.347,415 0.478,416 0.534,418 0.718,419 0.411,420 1.561,421 1,422 2.593,423 1.228,424 0.311,425 0.374,427 0.509,428 0.281,429 0.812,430 -0.044,431 2.136,432 0.402,433 -0.561,434 -0.688,436 -1.068,437 -0.52,438 0.732,439 -0.119,440 2,441 0.355,442 -0.589,443 -0.753,445 -1.121,446 -0.553,447 0.5,448 -0.418,449 2,451 -1,452 -1.5,454 -3,455 -1,456 0.5,457 -0.898,458 1.559,460 -1,461 -1.5,463 -3,464 -1,465 -0.017,466 -1,467 1.26,468 -0.321,469 -1.313,470 -1.508,472 -3.319,473 -1.233,474 9.333,475 0.467,476 0.435,477 0.022,478 26.5,479 1.325,480 14.5,481 0.725,482 12,483 0.6,484 12.575,485 0.629,486 21.867,487 0.607,488 19.264,489 0.963,490 5.739,491 0.287,492 3.912,493 0.196,494 0.179,496 0.321,501 0.832,502 1.119,503 0.784,504 1.092,505 0.783,506 0.957,507 1.195,508 0.887,509 0.905,510 0.867,511 0.877,512 0.828,513 0.988,514 1.138,515 0.963,516 1.124,517 0.888,518 1.053,519 1.191,520 1.237,521 1.202,522 1.235,523 1.418,524 1.224,525 0.971,526 0.948,527 0.952,528 0.947,529 1.434,530 0.945,531 0.723,532 0.812,533 0.83,534 0.821,535 0.986,536 0.845,537 0.615,538 1.147,539 0.967,540 1.162,541 0.587,542 1.149,543 1.28,544 1.024,545 1.111,546 1.017,547 1.445,548 1.024,549 4,550 0.058,551 2.667,552 1.25,553 1.164,554 0.708,555 0.323,556 0.236,557 0.131,558 0.04,559 3609,560 11118,561 1.966,562 44.4,564 15,567 1,572 1.615,573 1.818,574 3.258,575 -0.32,577 1,579 1,582 50.117,583 1.392,584 3.124,585 3.572,586 4.017,587 4.184,588 4.239,589 2.722,590 2.922,591 4.288,592 3.341,593 634.871,594 7.316,595 6511.09,596 1,597 1,598 1,599 1,600 186.117,601 1.485,602 4.237,603 0.19,604 0.01,605 0.095,606 0.042,607 0.049,608 0.035,609 0.018,610 0.015,611 0.011,612 0.004,613 0.469,614 0.67,615 1,616 1.013,617 89.314,618 -0.059,619 -0.04,620 0.022,621 -0.029,622 -0.123,623 0.007,624 -0.169,625 0.14,626 0.006,627 0.144,628 -0.106,629 0.12,630 0.007,631 -0.119,632 -0.056,633 -0.119,634 0.164,635 -0.106,636 -0.165,637 -0.249,638 -0.26,639 -0.257,640 -0.13,641 -0.276,642 -0.068,643 -0.001,644 0.047,645 0.011,646 -0.12,647 0.048,648 0.216,649 0.143,650 0.171,651 0.142,652 0.082,653 0.145,654 0.299,655 -0.155,656 -0.036,657 -0.172,658 0.211,659 -0.18,660 -0.158,661 -0.082,662 -0.086,663 -0.077,664 -0.161,665 -0.067,666 2.519,667 5.177,668 0.6,669 15.4,670 1.011,671 1.116,672 2.1,673 4.409,674 0.664,675 3.091,676 3.367,677 3.611,678 3.714,679 3.892,680 3.892,681 3.892,682 3.714,683 3.611,684 3.497,685 5.446,686 0.641,687 272.32,688 3.091,689 4.595,690 5.425,691 6.267,692 7.112,693 7.961,694 8.811,695 9.663,696 10.515,697 11.368,715 8,720 4,722 12,727 1,739 2,741 36,743 13,744 2,745 21,747 37,748 16,749 12,750 4,751 8,752 1,756 2,757 2,770 1,772 13,773 3,777 1,782 1,786 1,789 1,790 1,793 16,794 4,795 1,796 4,808 1,809 4,811 1,829 2,857 1,859 2,864 2,868 20,875 1,878 2,880 1,893 11.1,894 1,896 1,898 2,901 11,902 6.95,903 4.667,904 1.865,907 2.098,908 1.34,909 0.895,910 4.638,911 8.267,912 3.367,913 3.912,914 4.46,915 4.907,916 5.416,917 5.483,918 5.657,919 5.608,920 5.799,921 6.055,922 0.857,923 30,924 7.391,926 3.064,927 0.026,929 7.983,931 13.665,933 10.554,936 2.483,937 49.667,941 176.567,942 119.568,945 89.828,948 119.568,949 266.395,951 21.766,953 118.493,954 30.278,955 38.858,957 176.567,959 176.567,960 119.568,961 89.828,964 176.567,965 47.145,966 42.683,969 119.568,972 176.567,973 89.828,974 119.568,977 176.567,978 21.991,979 97.576,981 89.828,982 176.567,983 89.828,984 119.568,986 0.571,987 0.35,988 0.164,989 0.084,990 12,991 6,992 0.135,993 5,995 1,996 3.205,997 139.856,999 12,1000 78.439,1005 14.41,1006 6.438,1007 3.322,1009 89.828,1010 13.402,1015 2.319,1017 42.683,1018 385.962,1019 28,1024 12.177,1028 -0.349,1031 36.378,1032 40.159,1034 0.269,1035 0.604,1036 0.691,1037 0.777,1038 0.809,1039 0.82,1040 4.564,1041 0.724,1042 5.398,1043 2.275,1044 4.043,1045 4.595,1046 2.35,1047 6.168,1048 3.988,1049 5.754,1050 0.478,1051 6.948,1052 1.484,1053 3.611,1054 4.29,1055 1.22,1056 7.04,1057 3.544,1058 7.044,1059 0.311,1060 8.597,1061 0.718,1062 5.609,1063 6.726,1064 3.029,1065 10.071,1066 5.526,1067 8.37,1068 -0.561,1069 10.301,1070 0.509,1071 5.994,1072 7.19,1073 2.638,1074 11.724,1075 5.902,1076 9.725,1077 -0.589,1078 12.042,1079 -1.068,1080 7.446,1081 9.098,1082 4.014,1083 14.297,1084 7.353,1085 11.098,1086 -1,1087 13.806,1088 -1.121,1089 8.192,1090 9.914,1091 4.007,1092 16.281,1093 8.098,1094 12.485,1095 -1,1096 15.589,1097 -3,1098 9.428,1099 11.584,1100 5.124,1101 18.697,1102 9.338,1103 3.047,1104 -1.313,1105 17.385,1106 -3,1107 10.35,1108 12.592,1109 5.332,1110 20.84,1111 10.264,1112 2.641,1113 10.031,1114 19.193,1115 -3.319,1116 11.497,1117 14.131,1118 6.284,1119 23.194,1120 11.417,1121 2.432,1122 7.745,1123 21.01,1124 3.848,1125 12.506,1126 15.258,1127 6.624,1128 25.416,1129 12.433,1130 2.17,1131 6.818,1132 22.835,1133 3.641,1134 13.619,1135 16.718,1136 7.467,1137 27.743,1138 13.552,1139 1.471,1140 6.487,1141 24.667,1142 3.147,1143 14.674,1144 17.919,1145 7.895,1146 30.006,1147 14.613,1148 1,1149 4.062,1150 26.505,1151 2.776,1152 15.776,1153 19.332,1154 8.665,1155 32.321,1156 15.721,1157 1,1158 2.275,1159 28.348,1160 1.957,1161 16.854,1162 20.58,1163 9.152,1164 34.604,1165 16.805,1166 3705,1167 6573,1168 13.523,1169 23.909,1170 30.793,1171 32.091,1172 32.421,1173 30.483,1174 30.547,1175 40.273,1176 8.022,1177 84.805,1178 29.54,1179 5.155,1180 5.831,1181 6.079,1182 5.048,1183 5.047,1184 6.848,1185 3.376,1186 17.159,1187 5.047,1188 10.888,1189 1.466,1190 1.528,1191 1.544,1192 1.452,1193 1.455,1194 1.918,1195 0.382,1196 4.038,1197 1.407,1198 3.986,1199 4.001,1200 3.935,1201 3.91,1202 7.428,1203 3.912,1204 3.866,1205 3.886,1206 3.808,1207 3.796,1208 6.444,1209 3.795,1210 3.456,1211 3.467,1212 3.389,1213 3.25,1214 4.867,1215 3.279,1216 3.245,1217 3.308,1218 3.078,1219 2.97,1220 4.839,1221 2.984,1222 3.147,1223 3.217,1224 2.935,1225 2.872,1226 4.352,1227 2.869,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 4.327,1233 2.715,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 3.674,1239 2.715,1240 2.793,1241 2.831,1242 2.639,1243 2.623,1244 3.674,1245 2.612,1246 0.206,1247 0.182,1248 0.311,1249 0.193,1250 0.145,1251 4.327,1252 0.183,1253 3.831,1254 0.088,1255 6.528,1256 0.478,1257 4.048,1258 0.145,1259 3.047,1260 3.848,1261 1.848,1262 10.031,1263 3.047,1264 1.942,1265 1.926,1266 2.037,1267 2.038,1268 1.162,1269 2.037,1270 1.856,1271 1.836,1272 1.965,1273 1.952,1274 1.05,1275 1.956,1276 1.353,1277 1.338,1278 1.595,1279 1.616,1280 0.624,1281 1.598,1282 1.192,1283 1.122,1284 1.567,1285 1.504,1286 0.573,1287 1.524,1288 1.112,1289 1.032,1290 1.405,1291 1.399,1292 0.51,1293 1.409,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.758,1307 0.715,1308 0.962,1309 0.981,1310 0.078,1311 0.964,1312 3.761,1314 5.043,1316 6.538,1318 8.113,1320 9.727,1322 3.122,1327 10.111,1330 10.071,1332 -1.186,1340 23.074,1341 50.117,1342 112.466,1343 128.608,1344 144.608,1345 150.608,1346 152.608,1347 40.713,1348 6.17,1349 55.76,1350 55.76,1351 12,1352 11.924,1353 3.807,1354 3,1355 36.554,1356 64,1357 68,1358 0.284,1359 144.954,1360 255.52,1361 345.449,1362 3117,1364 14.535,1365 0.727,1366 0.568,1367 14.535,1368 11.368,1369 9.651,1370 0.46,1371 0.293,1372 6.042,1373 9.211,1374 5.839,1375 4.895,1376 9.651,1377 6.157,1378 8.096,1379 0.289,1380 0.152,1381 8.096,1382 4.268,1383 7.254,1384 0.202,1385 0.085,1386 7.254,1387 3.054,1388 5.103,1389 0.128,1390 0.046,1391 5.103,1392 1.851,1393 3.786,1394 0.079,1395 0.024,1396 3.786,1397 1.173,1398 0.444,1399 61.294,1400 0.272,1401 20.09,1402 0.782,1403 98,1404 339.356,1405 107.964,1406 316.452,1407 417.86,1408 296,1409 113,1410 286,1411 123.077,1412 291.909,1413 420.45,1414 271,1415 4}
{0 CHEMBL370807,1 1.415,2 15.629,3 5.818,4 33.846,5 140.839,6 6.821,7 0.538,8 4.314,9 4.444,10 3.805,11 3.876,12 5.319,13 3.833,14 4.876,15 5.059,16 4.148,17 4.298,18 5.825,19 4.218,20 5.188,21 5.432,22 4.199,23 4.424,24 6.069,25 4.314,26 5.188,27 5.434,28 4.12,29 4.388,30 6.065,31 4.266,32 5.172,33 5.426,34 4.031,35 4.35,36 6.032,37 4.212,38 5.174,39 5.435,40 3.904,41 4.324,42 5.989,43 4.159,44 5.158,45 5.441,46 3.816,47 4.247,48 5.988,49 4.06,50 5.036,51 5.328,52 3.665,53 4.116,54 5.8,55 3.933,56 0.078,57 0.999,58 15.652,59 6.56,60 10.279,61 9.07,62 0.188,63 1.657,64 28.441,65 11.457,66 23.273,67 16.286,68 0.335,69 2.083,70 40.919,71 14.791,72 45.699,73 21.527,74 0.402,75 2.085,76 41.188,77 14.29,78 48.219,79 20.954,80 0.44,81 2.007,82 40.683,83 14.41,84 49.344,85 21.026,86 0.364,87 1.947,88 40.82,89 14.991,90 48.426,91 21.666,92 0.504,93 1.84,94 40.753,95 15.222,96 61.221,97 22.049,98 0.308,99 1.621,100 36.068,101 13.3,102 42.777,103 19.376,104 5,105 53,106 0.221,107 0.56,108 0.742,109 0.878,110 0.905,111 0.905,112 3.588,113 0.991,114 -4.1,115 -4.05,116 -3.83,121 42,123 9,127 2,144 7,145 4,146 2,148 2,153 1,154 1,160 1,176 15,180 5,183 1,185 10,187 15,192 5,197 10,200 11,206 4,209 1,211 8,214 11,219 2,223 2,224 6,227 15,232 2,237 1,239 17,244 2,247 2,248 2,249 2,251 16,256 2,261 1,264 12,269 4,272 1,274 5,277 10,281 2288,282 24.258,283 24.258,284 24.258,285 24.258,286 24.258,287 21.634,288 22.216,289 14.725,290 24.501,291 19.317,292 19.317,293 19.317,294 19.317,295 19.317,296 15.208,297 19.546,298 7.045,299 19.707,300 4.694,301 2.524,302 1.357,303 0.486,304 0.319,305 0.319,306 4.301,312 1,313 1221,314 4.062,317 88.438,318 373.24,321 163.442,322 304.839,325 2.353,326 27.571,329 1,330 0.67,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.83,337 74,338 547,339 4.64,340 3.575,341 6.829,342 4.207,343 3.226,344 4.564,345 1.907,346 11.348,347 3.162,348 4.547,349 3.361,350 6.543,351 4.072,352 3.087,353 4.502,354 0.4,355 10.343,356 3.04,357 3.914,358 3.167,359 5.982,360 3.524,361 2.532,362 3.437,363 0.149,364 8.37,365 2.512,366 3.671,367 2.669,368 5.381,369 3.393,370 2.388,371 3.065,373 6.711,374 2.39,375 3.627,376 2.533,377 5.17,378 3.223,379 2.255,380 2.893,382 6.257,383 2.176,384 3.522,385 2.356,386 5.028,387 3.134,388 2.18,389 2.83,391 6.055,392 2.077,393 3.328,394 2.122,395 4.949,396 2.905,397 1.936,398 2.657,400 5.693,401 1.868,402 2.94,403 1.851,404 4.141,405 2.717,406 1.729,407 2.142,409 3.652,410 1.706,411 2.781,412 1.608,413 4.116,414 2.512,415 1.523,416 1.838,418 3.487,419 1.505,420 2.733,421 1.519,422 3.969,423 2.345,424 1.347,425 1.789,427 3.329,428 1.343,429 2.59,430 1.456,431 3.736,432 2.318,433 1.339,434 1.615,436 3.255,437 1.309,438 2.488,439 1.367,440 3.594,441 2.242,442 1.247,443 1.487,445 2.902,446 1.24,447 2.36,448 1.35,449 3.561,450 2.178,451 1.21,452 1.336,454 2.727,455 1.169,456 2.235,457 1.253,458 3.412,459 2.007,460 1.039,461 1.196,463 2.339,464 1.001,465 2.031,466 0.961,467 3.226,468 1.73,469 0.749,470 0.909,472 1.736,473 0.732,474 16.767,475 0.479,476 0.657,477 0.019,478 42.5,479 1.214,480 20.5,481 0.586,482 22,483 0.629,484 33.832,485 0.967,486 37.833,487 0.548,488 30.062,489 0.859,490 7.74,491 0.221,492 9.447,493 0.27,494 0.04,496 0.298,501 0.89,502 1.196,503 0.895,504 1.025,505 0.71,506 0.966,507 0.675,508 1.238,509 0.951,510 1.137,511 0.525,512 1.08,513 1.004,514 1.061,515 0.94,516 0.96,517 0.936,518 0.943,519 1.131,520 1.07,521 1.091,522 1.025,523 1.045,524 1.042,525 1.035,526 1.004,527 1.103,528 1.039,529 0.99,530 1.066,531 1.056,532 1.025,533 1.131,534 1.087,535 1.03,536 1.112,537 0.729,538 0.912,539 0.975,540 1.013,541 0.936,542 1.027,543 0.869,544 0.891,545 0.946,546 0.954,547 0.947,548 0.959,549 5,550 0.185,551 3.556,552 2.167,553 1.733,554 0.743,555 0.483,556 0.286,557 0.208,558 0.183,559 23764,560 52270,561 2.158,562 49.3,563 10,564 11,565 1,567 4,568 4,569 4,572 1.758,573 2.079,574 3.834,575 1.435,582 97.633,583 1.415,584 3.585,585 4.752,586 5.623,587 5.79,588 5.79,589 3.128,590 4.558,591 5.109,592 4.127,593 2455.52,594 8.909,595 43242.9,600 421.488,601 1.15,602 5.086,603 0.128,604 0.007,605 0.067,606 0.04,607 0.036,608 0.017,609 0.013,610 0.009,611 0.007,612 0.006,613 0.331,614 0.17,615 0.75,616 0.383,617 196.398,618 -0.072,619 0.007,620 0.037,621 0.065,622 -0.027,623 0.063,624 0.057,625 -0.119,626 -0.012,627 -0.085,628 0.08,629 -0.061,630 -0.054,631 -0.041,632 0.042,633 0.028,634 -0.034,635 0.042,636 -0.101,637 -0.03,638 -0.099,639 -0.059,640 -0.094,641 -0.075,642 -0.04,643 0.011,644 -0.115,645 -0.069,646 -0.05,647 -0.094,648 -0.113,649 -0.057,650 -0.15,651 -0.102,652 -0.086,653 -0.125,654 0.165,655 0.001,656 0.007,657 -0.03,658 0.069,659 -0.033,660 -0.016,661 0.016,662 0.035,663 0.024,664 -0.003,665 0.035,666 1.56,667 5.269,668 0.657,669 39.389,670 0.99,671 1.125,672 2.874,673 8.262,674 0.657,675 3.689,676 3.989,677 4.277,678 4.564,679 4.804,680 4.852,681 4.949,682 5.03,683 5.024,684 4.89,685 9.667,686 0.615,687 470.67,688 3.689,689 5.22,690 6.071,691 6.944,692 7.816,693 8.699,694 9.58,695 10.468,696 11.355,697 12.247,698 5.8,703 1,705 1,706 1,708 1,714 4,715 8,716 1,717 1,720 5,722 21,734 1,738 1,741 69,743 22,744 2,745 39,747 73,748 29,749 17,750 5,751 7,756 5,757 9,767 4,770 9,772 18,773 11,777 1,782 1,786 1,793 34,794 5,795 4,796 6,802 4,808 0.4,809 2,822 1,824 1,828 1,829 4,832 1,833 2,843 1,859 2,868 35,875 1,876 11,877 2,893 2.9,895 1,896 1,901 16.833,902 11.983,903 7.75,904 4.615,907 4.155,908 1.498,909 1.003,910 7.654,911 12.504,912 3.942,913 4.551,914 5.177,915 5.808,916 6.367,917 6.675,918 7.027,919 7.357,920 7.46,921 7.288,922 0.9,923 54,924 13.015,926 5.557,927 0.026,929 7.576,931 25.645,933 21.75,936 2.076,937 72.667,941 353.133,942 128.427,943 69.593,945 67.828,948 128.427,949 420.961,950 69.593,952 45.033,953 75.381,954 107.329,955 35.96,956 13.915,957 341.362,959 353.133,960 198.019,961 67.828,964 306.049,965 114.913,968 66.719,969 96.504,970 34.796,972 353.133,973 137.421,974 128.427,977 353.133,978 53.046,979 75.381,980 52.807,981 84.614,982 353.133,983 137.421,984 128.427,986 0.57,987 0.332,988 0.189,989 0.107,990 25,991 10,992 0.137,993 10,994 3,995 1.261,996 4.858,997 315.985,998 0.261,999 23,1000 179.525,1005 23.84,1006 11.237,1007 5.686,1008 4.308,1009 120.635,1010 15.684,1011 4.916,1012 3.212,1015 5.3,1017 95.49,1018 618.981,1019 50.5,1024 12.269,1028 0.106,1031 68.316,1032 77.64,1034 0.232,1035 0.587,1036 0.778,1037 0.92,1038 0.948,1039 0.948,1040 5.166,1041 1.729,1042 6.028,1043 5.693,1044 4.673,1045 5.239,1046 1.997,1047 6.825,1048 4.633,1049 6.358,1050 1.523,1051 7.569,1052 3.652,1053 4.111,1054 5.085,1055 1.593,1056 7.711,1057 4.058,1058 7.664,1059 1.347,1060 9.217,1061 3.487,1062 6.236,1063 7.506,1064 2.907,1065 10.857,1066 6.161,1067 9.013,1068 1.339,1069 10.933,1070 3.329,1071 6.567,1072 8.26,1073 3.032,1074 12.651,1075 6.478,1076 10.401,1077 1.247,1078 12.695,1079 3.255,1080 8.107,1081 10.133,1082 4.038,1083 15.302,1084 7.999,1085 11.818,1086 1.21,1087 14.489,1088 2.902,1089 8.874,1090 11.303,1091 4.409,1092 17.458,1093 8.75,1094 13.257,1095 1.039,1096 16.307,1097 2.727,1098 10.173,1099 12.961,1100 5.25,1101 19.947,1102 10.032,1103 3.226,1104 0.749,1105 18.144,1106 2.339,1107 11.15,1108 14.322,1109 5.75,1110 22.248,1111 10.991,1112 3.087,1113 11.348,1114 19.993,1115 1.736,1116 12.354,1117 15.892,1118 6.501,1119 24.683,1120 12.177,1121 2.532,1122 10.343,1123 21.854,1124 4.564,1125 13.429,1126 17.337,1127 7.068,1128 27.045,1129 13.232,1130 2.388,1131 8.37,1132 23.722,1133 4.502,1134 14.597,1135 18.872,1136 7.771,1137 29.462,1138 14.383,1139 2.255,1140 6.711,1141 25.598,1142 3.437,1143 15.716,1144 20.355,1145 8.374,1146 31.85,1147 15.481,1148 2.18,1149 6.257,1150 27.479,1151 3.065,1152 16.873,1153 21.875,1154 9.051,1155 34.263,1156 16.62,1157 1.936,1158 6.055,1159 29.365,1160 2.893,1161 18.012,1162 23.374,1163 9.674,1164 36.664,1165 17.739,1166 21705,1167 32357,1168 26.929,1169 45.353,1170 57.501,1171 58.682,1172 58.701,1173 57.405,1174 57.385,1175 74.693,1176 4.912,1177 160.545,1178 56.209,1179 5.606,1180 5.575,1181 6.653,1182 5.247,1183 5.226,1184 7.564,1185 3.306,1186 18.879,1187 5.162,1188 11.732,1189 1.474,1190 1.505,1191 1.505,1192 1.472,1193 1.471,1194 1.915,1195 0.126,1196 4.117,1197 1.441,1198 4.142,1199 4.174,1200 4.098,1201 4.06,1202 7.429,1203 4.065,1204 4.098,1205 4.129,1206 4.06,1207 4.023,1208 6.471,1209 4.028,1210 3.776,1211 3.833,1212 3.654,1213 3.653,1214 4.976,1215 3.64,1216 3.732,1217 3.781,1218 3.616,1219 3.624,1220 4.919,1221 3.616,1222 3.6,1223 3.668,1224 3.466,1225 3.435,1226 4.413,1227 3.434,1228 3.466,1229 3.518,1230 3.365,1231 3.304,1232 4.257,1233 3.309,1234 3.33,1235 3.402,1236 3.193,1237 3.155,1238 4.183,1239 3.155,1240 3.225,1241 3.288,1242 3.085,1243 3.061,1244 4.083,1245 3.058,1246 0.119,1247 0.092,1248 0.175,1249 0.108,1250 0.083,1251 4.64,1252 0.117,1253 3.575,1254 0.049,1255 6.829,1256 0.291,1257 4.207,1258 0.081,1259 3.226,1260 4.564,1261 1.907,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.436,1269 2.163,1270 1.933,1271 1.914,1272 2.021,1273 2.02,1274 1.34,1275 2.02,1276 1.761,1277 1.71,1278 1.994,1279 1.944,1280 1.231,1281 1.96,1282 1.753,1283 1.702,1284 1.948,1285 1.873,1286 1.148,1287 1.902,1288 1.65,1289 1.591,1290 1.85,1291 1.842,1292 1.034,1293 1.852,1294 1.471,1295 1.41,1296 1.706,1297 1.697,1298 0.962,1299 1.699,1300 1.296,1301 1.231,1302 1.515,1303 1.541,1304 0.756,1305 1.545,1306 1.214,1307 1.146,1308 1.463,1309 1.405,1310 0.628,1311 1.422,1312 4.369,1314 5.673,1315 2.398,1316 7.177,1317 4.727,1318 8.784,1319 6.823,1320 10.453,1327 9.718,1328 10.409,1329 6.744,1340 42.417,1341 97.633,1342 247.365,1343 327.863,1344 387.978,1345 399.488,1346 399.488,1347 60.078,1348 8.349,1349 90.04,1350 90.04,1351 29,1352 12.776,1353 4.524,1354 3.644,1355 52.873,1356 212,1357 164,1358 0.118,1359 257.877,1360 440.04,1361 620.98,1362 70568,1364 24.037,1365 0.687,1366 0.577,1367 24.037,1368 20.2,1369 17.187,1370 0.441,1371 0.33,1372 12.787,1373 16.778,1374 12.558,1375 10.377,1376 17.187,1377 12.889,1378 15.024,1379 0.283,1380 0.18,1381 15.024,1382 9.517,1383 12.721,1384 0.179,1385 0.099,1386 12.721,1387 7.019,1388 10.843,1389 0.114,1390 0.054,1391 10.843,1392 5.173,1393 9.061,1394 0.075,1395 0.031,1396 9.061,1397 3.737,1398 0.197,1399 106.045,1400 0.193,1401 33.391,1402 0.292,1403 184,1404 440.529,1405 195.534,1406 435.462,1407 607.27,1408 410,1409 216,1410 454.836,1411 227.149,1412 462.314,1413 677.73,1414 440,1415 9.347}
{0 CHEMBL370961,1 1.432,2 20.308,3 6.617,4 43.783,5 154.159,6 7.049,7 0.429,8 4.388,9 4.499,10 3.903,11 3.918,12 5.459,13 3.89,14 4.931,15 5.104,16 4.215,17 4.281,18 5.986,19 4.227,20 5.173,21 5.382,22 4.233,23 4.391,24 6.17,25 4.303,26 5.228,27 5.468,28 4.154,29 4.355,30 6.174,31 4.249,32 5.158,33 5.386,34 4.125,35 4.333,36 6.114,37 4.231,38 5.191,39 5.432,40 4.094,41 4.352,42 6.122,43 4.228,44 5.173,45 5.417,46 3.969,47 4.311,48 6.052,49 4.171,50 5.098,51 5.349,52 3.88,53 4.232,54 5.943,55 4.082,56 0.019,57 0.996,58 16.168,59 7.357,60 9.161,61 9.503,62 0.401,63 1.601,64 30.357,65 11.82,66 40.247,67 15.798,68 0.438,69 1.898,70 40.299,71 15.45,72 58.779,73 20.688,74 0.561,75 1.957,76 43.955,77 15.776,78 71.314,79 21.661,80 0.457,81 1.865,82 40.337,83 14.821,84 59.825,85 20.202,86 0.47,87 1.921,88 41.79,89 15.687,90 66.658,91 21.713,92 0.564,93 1.869,94 41.541,95 15.249,96 65.2,97 20.939,98 0.391,99 1.743,100 38.177,101 14.413,102 51.968,103 20.136,104 20,105 55,106 0.221,107 0.521,108 0.719,109 0.849,110 0.891,111 0.891,112 3.692,113 0.961,114 -4.84,115 -4.75,116 -4.46,121 42.7,123 5,126 2,127 3,137 1,140 1,144 12,145 3,146 3,159 1,161 1,176 17,179 1,180 11,183 2,187 18,191 1,192 11,200 11,205 1,206 13,211 2,214 8,218 1,219 9,224 2,227 11,231 1,232 8,237 1,239 15,243 1,244 4,247 1,251 16,255 1,256 5,264 14,269 6,274 1,277 9,281 3420,282 26.645,283 26.645,284 26.645,285 26.645,286 26.645,287 24.055,288 27.381,289 16.378,290 27.166,291 20.749,292 20.749,293 20.749,294 20.749,295 20.749,296 16.708,297 33.89,298 7.864,299 21.522,300 4.796,301 2.848,302 1.563,303 0.717,304 0.447,305 0.447,306 4.389,312 1,313 1697,314 4.69,317 112.771,318 445.518,321 201.477,325 3.018,326 33.818,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 84,338 792,339 4.527,340 3.728,341 6.694,342 4.167,343 3.187,344 4.131,345 2.186,346 10.795,347 3.125,348 4.105,349 3.66,350 5.681,351 3.723,352 2.761,353 3.688,354 0.916,355 7.996,356 2.661,357 4.007,358 2.984,359 5.678,360 3.571,361 2.588,362 3.573,363 0.86,364 7.728,365 2.549,366 3.769,367 2.942,368 5.352,369 3.381,370 2.451,371 3.195,372 0.86,373 6.939,374 2.316,375 3.672,376 2.636,377 5.29,378 3.372,379 2.406,380 2.886,381 0.366,382 6.815,383 2.261,384 3.378,385 2.632,386 5.111,387 3.124,388 2.167,389 2.604,390 0.172,391 5.897,392 2.055,393 3.342,394 2.521,395 4.862,396 2.908,397 1.943,398 2.515,400 5.594,401 1.867,402 3.09,403 2.172,404 4.749,405 2.824,406 1.841,407 2.205,409 4.946,410 1.8,411 3.063,412 2.107,413 4.585,414 2.719,415 1.746,416 2.175,418 4.814,419 1.69,420 2.848,421 1.847,422 3.857,423 2.645,424 1.69,425 1.977,427 3.679,428 1.597,429 2.816,430 1.557,431 3.67,432 2.411,433 1.424,434 1.831,436 3.066,437 1.401,438 2.658,439 1.48,440 3.53,441 2.35,442 1.373,443 1.724,445 2.888,446 1.336,447 2.5,448 1.336,449 3.495,450 2.178,451 1.187,452 1.5,454 2.605,455 1.175,456 2.48,457 1.278,458 3.468,459 2,460 1,461 1.435,463 2.165,464 1,465 2.386,466 1.101,467 3.247,468 1.904,469 0.919,470 1.259,472 2.136,473 0.894,474 18.467,475 0.474,476 0.746,477 0.019,478 48.25,479 1.237,480 24,481 0.615,482 24.25,483 0.622,484 35.183,485 0.902,486 42.733,487 0.57,488 38.443,489 0.986,490 9.617,491 0.247,492 9.395,493 0.241,494 0.09,496 0.265,501 0.771,502 1.3,503 0.831,504 1.169,505 0.586,506 1.031,507 0.867,508 1.005,509 0.935,510 1.017,511 0.548,512 0.979,513 1.026,514 1.063,515 0.968,516 1.059,517 0.769,518 1.016,519 1.059,520 0.951,521 0.94,522 0.93,523 0.985,524 0.919,525 1.077,526 0.993,527 1.005,528 0.989,529 1.006,530 0.986,531 0.855,532 1.009,533 0.959,534 1.015,535 0.807,536 1.005,537 1.052,538 0.906,539 1.096,540 0.968,541 0.989,542 1.03,543 0.817,544 1.043,545 1.027,546 1.071,547 0.791,548 1.083,549 7,550 0.148,551 2.667,552 2.639,553 1.347,554 1.105,555 0.652,556 0.438,557 0.274,558 0.146,559 32653,560 84227,561 2.067,562 48,563 6,564 25,567 1,569 4,572 1.783,573 1.966,574 4.266,575 -0.434,582 107.434,583 1.432,584 3.381,585 4.665,586 5.512,587 5.782,588 5.782,589 3.721,590 4.978,591 5.26,592 4.478,593 3318.32,594 9.206,595 66726.3,600 467.161,601 1.252,602 5.231,603 0.167,604 0.005,605 0.048,606 0.049,607 0.027,608 0.023,609 0.014,610 0.011,611 0.008,612 0.005,613 0.357,614 0.17,615 0.75,616 0.879,617 230.121,618 -0.009,619 -0.13,620 0.056,621 -0.07,622 -0.017,623 -0.008,624 0.104,625 0.102,626 0.018,627 0.002,628 0.132,629 0.003,630 0.009,631 -0.07,632 0.011,633 -0.05,634 0.076,635 -0.023,636 -0.005,637 0.014,638 0.063,639 0.045,640 0.022,641 0.062,642 -0.057,644 -0.016,645 -0.003,646 -0.031,647 -0.003,648 0.028,649 -0.034,650 0.017,651 -0.023,652 0.053,653 -0.007,654 -0.082,655 0.066,656 -0.106,657 0.012,658 -0.094,659 -0.044,660 -0.009,661 -0.077,662 -0.058,663 -0.081,664 -0.035,665 -0.08,666 2.13,667 5.635,668 0.538,669 60.746,670 0.998,671 1.121,672 3.608,673 13.02,674 0.656,675 3.761,676 4.025,677 4.234,678 4.466,679 4.644,680 4.691,681 4.804,682 4.905,683 4.86,684 4.868,685 11.708,686 0.621,687 528.7,688 3.761,689 5.273,690 6.089,691 6.936,692 7.772,693 8.631,694 9.478,695 10.345,696 11.202,697 12.075,698 2.7,701 1,705 1,715 12,720 6,722 18,727 1,737 1,739 2,741 75,743 21,744 3,745 42,747 78,748 32,749 18,750 6,751 12,752 3,756 4,757 5,770 5,772 22,773 10,777 3,782 2,784 1,786 3,793 36,794 7,795 1,796 7,802 2,808 0.75,809 5,828 1,829 3,832 1,849 2,855 1,859 3,864 2,868 39,876 8,877 1,878 3,881 1,893 6.7,896 2,898 3,901 19.833,902 13.867,903 8.833,904 4.678,907 3.647,908 1.446,909 0.959,910 10.723,911 11.823,912 4.007,913 4.516,914 5.012,915 5.532,916 6.035,917 6.209,918 6.543,919 6.88,920 7.075,921 7.35,922 1,923 54,924 14.447,926 5.962,927 0.026,929 7.705,931 27.809,933 22.189,936 2.205,937 86,941 411.989,942 203.887,943 21.135,945 83.29,948 203.887,949 495.278,950 21.135,951 16.793,952 39.487,953 123.191,954 60.667,955 61.411,956 6.763,957 411.989,959 411.989,960 225.022,961 83.29,964 364.904,965 130.374,968 42.612,969 167.691,970 14.72,972 411.989,973 104.425,974 203.887,977 411.989,978 63.903,979 143.108,980 18.011,981 83.29,982 411.989,983 104.425,984 203.887,986 0.563,987 0.315,988 0.166,989 0.09,990 22,991 10,992 0.179,993 14,994 1,995 1.095,996 5.267,997 339.021,998 0.095,999 21,1000 202.131,1005 28.564,1006 14.641,1007 8.79,1009 104.425,1010 22.708,1015 4.424,1017 18.011,1018 720.3,1019 54,1024 24.035,1026 1.767,1028 -0.23,1031 74.861,1032 84.102,1034 0.23,1035 0.543,1036 0.749,1037 0.885,1038 0.928,1039 0.928,1040 5.218,1041 1.841,1042 6.033,1043 5.594,1044 4.71,1045 5.204,1046 2.639,1047 6.765,1048 4.641,1049 6.38,1050 1.746,1051 7.536,1052 4.946,1053 4.111,1054 4.82,1055 1.847,1056 7.483,1057 4.007,1058 7.65,1059 1.69,1060 9.138,1061 4.814,1062 6.221,1063 7.276,1064 3.582,1065 10.587,1066 6.089,1067 8.955,1068 1.424,1069 10.801,1070 3.679,1071 6.463,1072 7.711,1073 3.603,1074 12.201,1075 6.301,1076 10.294,1077 1.373,1078 12.506,1079 3.066,1080 8.003,1081 9.636,1082 4.922,1083 14.815,1084 7.822,1085 11.657,1086 1.187,1087 14.242,1088 2.888,1089 8.677,1090 10.484,1091 5.291,1092 16.848,1093 8.473,1094 13.04,1095 1,1096 16.002,1097 2.605,1098 9.97,1099 12.162,1100 6.39,1101 19.296,1102 9.75,1103 3.187,1104 0.919,1105 17.782,1106 2.165,1107 10.873,1108 13.239,1109 6.93,1110 21.524,1111 10.634,1112 2.761,1113 10.795,1114 19.58,1115 2.136,1116 12.06,1117 14.787,1118 7.902,1119 23.919,1120 11.807,1121 2.588,1122 7.996,1123 21.393,1124 4.131,1125 13.082,1126 15.997,1127 8.539,1128 26.232,1129 12.812,1130 2.451,1131 7.728,1132 23.218,1133 3.688,1134 14.23,1135 17.474,1136 9.436,1137 28.612,1138 13.946,1139 2.406,1140 6.939,1141 25.055,1142 3.573,1143 15.312,1144 18.763,1145 10.13,1146 30.961,1147 15.012,1148 2.167,1149 6.815,1150 26.902,1151 3.195,1152 16.451,1153 20.202,1154 10.981,1155 33.338,1156 16.135,1157 1.943,1158 5.897,1159 28.757,1160 2.886,1161 17.564,1162 21.538,1163 11.71,1164 35.704,1165 17.232,1166 31017,1167 50043,1168 28.315,1169 49.228,1170 60.779,1171 63.084,1172 62.199,1173 60.294,1174 60.293,1175 76.581,1176 10.723,1177 162.084,1178 58.236,1179 5.491,1180 5.728,1181 6.585,1182 5.25,1183 5.187,1184 7.131,1185 3.889,1186 17.877,1187 5.125,1188 18.3,1189 1.447,1190 1.502,1191 1.481,1192 1.436,1193 1.436,1194 1.823,1195 0.255,1196 3.859,1197 1.387,1198 4.034,1199 4.045,1200 3.996,1201 3.947,1202 7.435,1203 3.955,1204 3.94,1205 3.968,1206 3.878,1207 3.856,1208 7.427,1209 3.856,1210 3.869,1211 3.895,1212 3.803,1213 3.81,1214 4.93,1215 3.806,1216 3.769,1217 3.827,1218 3.62,1219 3.642,1220 4.814,1221 3.626,1222 3.608,1223 3.673,1224 3.492,1225 3.418,1226 4.758,1227 3.42,1228 3.524,1229 3.585,1230 3.434,1231 3.32,1232 4.539,1233 3.33,1234 3.455,1235 3.487,1236 3.36,1237 3.215,1238 4.329,1239 3.257,1240 3.331,1241 3.398,1242 3.157,1243 3.15,1244 4.244,1245 3.143,1246 0.108,1247 0.089,1248 0.159,1249 0.099,1250 0.076,1251 4.527,1252 0.098,1253 3.728,1254 0.052,1255 6.694,1256 0.257,1257 4.167,1258 0.074,1259 3.187,1260 4.131,1261 2.186,1262 10.795,1263 3.125,1264 1.917,1265 1.893,1266 2.052,1267 2.028,1268 1.392,1269 2.035,1270 1.912,1271 1.885,1272 2.032,1273 1.991,1274 1.209,1275 2.005,1276 1.866,1277 1.852,1278 2.008,1279 1.976,1280 1.113,1281 1.982,1282 1.773,1283 1.713,1284 1.943,1285 1.919,1286 1.103,1287 1.935,1288 1.576,1289 1.508,1290 1.831,1291 1.794,1292 1.051,1293 1.805,1294 1.431,1295 1.421,1296 1.692,1297 1.726,1298 0.855,1299 1.716,1300 1.404,1301 1.336,1302 1.658,1303 1.605,1304 0.683,1305 1.619,1306 1.346,1307 1.266,1308 1.531,1309 1.573,1310 0.664,1311 1.561,1312 4.443,1314 5.72,1315 2.398,1316 7.177,1317 4.844,1318 8.719,1319 7.018,1320 10.312,1322 3.648,1328 7.965,1329 2.455,1330 16.947,1333 2.281,1340 46.572,1341 107.434,1342 253.564,1343 349.903,1344 413.387,1345 433.652,1346 433.652,1347 80.903,1348 8.176,1349 81.01,1350 81.01,1351 23,1352 12.62,1353 4.459,1354 3.7,1355 71.39,1356 284,1357 246,1358 0.118,1359 286.593,1360 514.29,1361 691.047,1362 56878,1364 27.451,1365 0.704,1366 0.581,1367 27.451,1368 22.651,1369 19.012,1370 0.453,1371 0.32,1372 13.27,1373 18.309,1374 12.928,1375 10.819,1376 19.012,1377 13.448,1378 16.385,1379 0.298,1380 0.175,1381 16.385,1382 9.649,1383 13.154,1384 0.193,1385 0.095,1386 13.154,1387 6.457,1388 10.611,1389 0.123,1390 0.051,1391 10.611,1392 4.418,1393 8.281,1394 0.08,1395 0.028,1396 8.281,1397 2.91,1398 0.201,1399 119.025,1400 0.188,1401 37.075,1402 0.285,1403 194,1404 580.656,1405 213.743,1406 550.187,1407 746.15,1408 516,1409 220,1410 542.442,1411 239.222,1412 545.963,1413 793.54,1414 512,1415 5.71}
{0 CHEMBL371006,1 1.553,2 8.208,3 0.794,4 0.63,5 85.623,6 7.453,7 0.423,8 3.932,9 4.017,10 3.481,11 3.345,12 5.077,13 3.369,14 4.493,15 4.634,16 3.86,17 3.723,18 5.583,19 3.75,20 4.668,21 4.79,22 4.091,23 3.942,24 5.871,25 3.96,26 4.871,27 5.013,28 4.152,29 4.055,30 6.015,31 4.053,32 4.997,33 5.177,34 4.075,35 4.081,36 6.118,37 4.037,38 4.964,39 5.185,40 3.771,41 3.978,42 5.995,43 3.866,44 4.829,45 5.104,46 3.437,47 3.708,48 5.783,49 3.564,50 4.424,51 4.67,52 3.08,53 3.267,54 5.459,55 3.158,56 0.151,57 0.588,58 9.761,59 4.41,60 17.814,61 5.247,62 0.633,63 0.907,64 20.087,65 6.755,66 46.901,67 8.265,68 0.73,69 1.131,70 22.861,71 8.425,72 67.824,73 10.382,74 0.904,75 1.331,76 28.832,77 9.926,78 67.728,79 12.611,80 1.147,81 1.437,82 34.346,83 10.855,84 81.526,85 14.486,86 0.935,87 1.341,88 34.177,89 10.979,90 75.997,91 15.32,92 0.828,93 1.089,94 31.854,95 9.128,96 73.025,97 13.63,98 0.648,99 0.694,100 21.14,101 5.76,102 54.6,103 8.251,104 44,105 38,106 0.272,107 0.621,108 0.796,109 0.851,110 0.859,111 0.882,112 3.231,113 0.878,114 -1.43,115 -1.51,116 -1.56,121 37.8,123 1,126 3,127 2,129 1,133 1,144 2,145 3,146 2,147 1,148 1,176 4,179 1,180 7,185 1,187 4,191 3,192 9,196 1,197 1,200 3,205 1,206 7,209 2,214 2,218 2,219 5,222 3,224 1,227 2,231 2,232 1,235 1,237 3,243 1,244 1,249 4,259 1,261 2,272 2,281 692,282 16.472,283 16.472,284 16.472,285 16.472,286 16.472,287 15.23,288 18.1,289 9.25,290 16.976,291 12.5,292 12.5,293 12.5,294 12.5,295 12.5,296 10.416,297 21.713,298 3.937,299 13.166,300 3.939,301 1.945,302 0.945,303 0.628,304 0.584,305 0.45,306 3.908,311 1,312 1,313 409,314 3.742,318 135.898,322 233.668,324 97.769,325 1.326,326 34.011,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 54.5,338 197,339 4.833,340 4.102,341 7.745,342 4.582,343 3.596,344 4.694,345 1.902,346 14.466,347 3.545,348 4.364,349 3.393,350 6.844,351 4.086,352 3.111,353 3.7,354 0.869,355 11.353,356 3.037,357 3.87,358 2.74,359 6.1,360 3.468,361 2.512,362 3.288,363 0.86,364 8.641,365 2.392,366 3.492,367 2.552,368 5.373,369 3.163,370 2.213,371 2.81,372 0.86,373 6.66,374 2.1,375 3.213,376 2.494,377 5.125,378 3.061,379 2.107,380 2.292,381 0.22,382 5.8,383 1.995,384 2.973,385 2.023,386 4.849,387 2.546,388 1.612,389 2.098,391 4.821,392 1.499,393 2.711,394 1.775,395 4.032,396 2.269,397 1.326,398 1.782,400 3.123,401 1.246,402 2.209,403 1.473,404 3.794,405 1.996,406 1.132,407 1.194,409 2.549,410 0.968,411 1.719,412 1.252,413 3.442,414 1.476,415 0.6,416 0.643,418 1.099,419 0.519,420 1.54,421 1.087,422 3.353,423 1.343,424 0.457,425 0.469,427 0.696,428 0.399,429 1.464,430 0.997,431 3.253,432 1.248,433 0.388,434 0.426,436 0.569,437 0.33,438 1.241,439 0.683,440 2.823,441 1.001,442 0.142,443 0.152,445 0.203,446 0.121,447 0.952,448 0.174,449 2.51,450 0.639,451 -0.285,452 -0.33,454 -0.631,455 -0.261,456 0.946,457 -0.069,458 2.41,459 0.54,460 -0.401,461 -0.512,463 -0.899,464 -0.373,465 0.68,466 -0.211,467 2.322,468 0.319,469 -0.631,470 -0.729,472 -1.654,473 -0.59,474 10.9,475 0.454,476 0.576,477 0.024,478 27,479 1.125,480 11,481 0.458,482 16,483 0.667,484 22.106,485 0.921,486 28.1,487 0.624,488 22.143,489 0.923,490 5.745,491 0.239,492 5.851,493 0.244,494 0.199,495 0.046,496 0.321,501 0.963,502 1.399,503 0.8,504 1.294,505 1.019,506 1.049,507 1.32,508 0.854,509 0.877,510 0.748,511 1.084,512 0.696,513 1.019,514 1.066,515 0.859,516 1.002,517 0.95,518 0.906,519 1.08,520 1.222,521 1.008,522 1.142,523 0.887,524 1.068,525 1.022,526 1.08,527 1.115,528 1.098,529 0.738,530 1.122,531 0.878,532 1.128,533 1.128,534 1.189,535 0.968,536 1.225,537 0.793,538 0.926,539 0.934,540 0.961,541 0.999,542 0.98,543 1.1,544 0.959,545 1.122,546 1.018,547 1.101,548 1.064,549 5.5,550 0.017,551 3.556,552 2.563,553 2.382,554 1.16,555 0.769,556 0.425,557 0.197,558 0.076,559 4850,560 15259,561 2.005,562 46.7,564 16,566 1,567 2,571 2,572 1.679,573 1.834,574 2.996,575 0.337,577 1,579 1,582 69.898,583 1.553,584 3.547,585 4.547,586 4.864,587 4.908,588 5.042,589 2.534,590 4.054,591 4.552,592 3.092,593 853.273,594 7.914,595 9386.24,597 1,600 247.133,601 1.697,602 4.483,603 0.212,604 0.004,605 0.094,606 0.055,607 0.05,608 0.028,609 0.027,610 0.021,611 0.015,612 0.009,613 0.513,614 0.33,615 1,616 1.475,617 109.699,618 -0.106,619 -0.164,620 0.04,621 -0.1,622 -0.163,623 -0.007,624 -0.172,625 0.224,626 0.088,627 0.295,628 -0.155,629 0.271,630 0.024,631 0.074,632 0.063,633 0.083,634 0.035,635 0.08,636 -0.026,637 -0.132,638 -0.068,639 -0.094,640 -0.027,641 -0.094,642 -0.003,643 -0.038,644 -0.151,645 -0.11,646 0.051,647 -0.161,648 -0.018,649 -0.156,650 -0.171,651 -0.207,652 -0.045,653 -0.231,654 0.017,655 -0.045,656 0.062,657 -0.045,658 -0.014,659 0.013,660 -0.072,661 -0.084,662 -0.095,663 -0.12,664 -0.028,665 -0.111,666 2.478,667 3.91,668 0.542,669 17.875,670 1.02,671 1.131,672 0.2,673 0.04,674 0.63,675 3.296,676 3.664,677 4.043,678 4.382,679 4.7,680 4.86,681 5.056,682 5.159,683 5.226,684 5.112,685 4.832,686 0.613,687 335.39,688 3.296,689 4.86,690 5.759,691 6.691,692 7.618,693 8.561,694 9.498,695 10.444,696 11.385,697 12.332,698 2.2,708 1,714 2,715 3,716 1,720 4,722 11,739 2,741 45,743 11,744 1,745 26,747 47,748 17,749 9,750 5,751 1,756 3,757 7,763 1,767 1,770 3,772 9,773 8,789 1,790 1,793 21,794 7,795 2,796 7,802 1,808 0.333,809 6,810 1,811 1,822 1,829 3,833 3,835 1,857 2,858 2,859 1,864 3,868 24,875 2,876 3,878 4,880 1,882 1,893 13.3,894 2,897 2,898 2,901 13.083,902 8.85,903 5.597,904 2.353,907 2.398,908 1.326,909 0.874,910 4.827,911 9.745,912 3.481,913 4.103,914 4.781,915 5.443,916 6.085,917 6.496,918 6.933,919 7.295,920 7.651,921 7.698,922 0.833,923 47,924 8.917,926 3.834,927 0.026,929 7.92,931 16.632,933 13.51,936 2.42,937 58.083,941 223.651,942 89.351,943 16.786,945 129.366,948 89.351,949 353.017,950 16.786,951 32.649,952 7.127,953 104.319,954 50.556,955 52.622,957 211.88,959 223.651,960 106.137,961 129.366,964 223.651,965 22,966 107.366,968 18.931,969 70.42,970 16.786,972 223.651,973 146.152,974 89.351,977 223.651,978 28.702,979 60.649,981 146.152,982 223.651,983 146.152,984 89.351,986 0.575,987 0.379,988 0.219,989 0.127,990 19,991 9,992 0.128,993 6,994 3,995 1.385,996 3.283,997 210.72,998 0.462,999 12,1000 110.039,1005 17.233,1006 6.723,1007 2.729,1008 1.768,1009 146.152,1010 5.4,1011 4.441,1015 2.575,1017 85.367,1018 459.154,1019 31.5,1031 45.902,1032 50.907,1034 0.283,1035 0.646,1036 0.828,1037 0.886,1038 0.894,1039 0.918,1040 4.76,1041 1.132,1042 5.802,1043 3.123,1044 4.344,1045 4.787,1046 2.477,1047 6.767,1048 4.257,1049 5.994,1050 0.6,1051 7.465,1052 2.549,1053 4.205,1054 4.832,1055 1.391,1056 8.212,1057 4.14,1058 7.359,1059 0.457,1060 9.243,1061 1.099,1062 6.125,1063 7.095,1064 3.132,1065 11.336,1066 6.004,1067 8.766,1068 0.388,1069 11.093,1070 0.696,1071 6.825,1072 7.967,1073 2.893,1074 13.587,1075 6.719,1076 10.21,1077 0.142,1078 12.99,1079 0.569,1080 8.268,1081 9.764,1082 4.128,1083 16.346,1084 8.132,1085 11.679,1086 -0.285,1087 14.921,1088 0.203,1089 9.311,1090 11.001,1091 4.317,1092 18.867,1093 9.177,1094 13.167,1095 -0.401,1096 16.875,1097 -0.631,1098 10.612,1099 12.632,1100 5.284,1101 21.543,1102 10.46,1103 3.596,1104 -0.631,1105 18.847,1106 -0.899,1107 11.788,1108 14.036,1109 5.681,1110 24.154,1111 11.63,1112 3.111,1113 14.466,1114 20.833,1115 -1.654,1116 13.052,1117 15.606,1118 6.507,1119 26.814,1120 12.88,1121 2.512,1122 11.353,1123 22.828,1124 4.694,1125 14.281,1126 17.086,1127 7.011,1128 29.458,1129 14.098,1130 2.213,1131 8.641,1132 24.833,1133 3.7,1134 15.539,1135 18.636,1136 7.76,1137 32.119,1138 15.344,1139 2.107,1140 6.66,1141 26.844,1142 3.288,1143 16.789,1144 20.15,1145 8.322,1146 34.776,1147 16.583,1148 1.612,1149 5.8,1150 28.86,1151 2.81,1152 18.05,1153 21.694,1154 9.027,1155 37.44,1156 17.831,1157 1.326,1158 4.821,1159 30.881,1160 2.292,1161 19.311,1162 23.224,1163 9.622,1164 40.103,1165 19.079,1166 4978,1167 8875,1168 16.701,1169 28.347,1170 38.179,1171 39.949,1172 43.513,1173 38.141,1174 38.394,1175 47.099,1176 9.422,1177 119.958,1178 36.3,1179 5.756,1180 6.102,1181 7.294,1182 5.63,1183 5.596,1184 7.694,1185 3.369,1186 22.703,1187 5.545,1188 13.647,1189 1.468,1190 1.537,1191 1.674,1192 1.467,1193 1.477,1194 1.811,1195 0.362,1196 4.614,1197 1.396,1198 4.13,1199 4.141,1200 4.104,1201 4.054,1202 6.498,1203 4.064,1204 3.704,1205 3.729,1206 3.615,1207 3.527,1208 6.403,1209 3.541,1210 3.514,1211 3.545,1212 3.439,1213 3.334,1214 5.058,1215 3.353,1216 3.413,1217 3.442,1218 3.298,1219 3.188,1220 4.773,1221 3.207,1222 3.256,1223 3.32,1224 3.071,1225 2.965,1226 4.623,1227 2.976,1228 3.185,1229 3.262,1230 2.967,1231 2.899,1232 4.492,1233 2.897,1234 3.065,1235 3.152,1236 2.853,1237 2.823,1238 4.26,1239 2.812,1240 2.926,1241 3.004,1242 2.698,1243 2.69,1244 4.036,1245 2.672,1246 0.186,1247 0.158,1248 0.298,1249 0.176,1250 0.138,1251 4.833,1252 0.181,1253 4.102,1254 0.073,1255 7.745,1256 0.556,1257 4.582,1258 0.136,1259 3.596,1260 4.694,1261 1.902,1262 14.466,1263 3.545,1264 2.073,1265 2.062,1266 2.125,1267 2.165,1268 1.357,1269 2.152,1270 1.64,1271 1.61,1272 1.838,1273 1.854,1274 1.134,1275 1.846,1276 1.436,1277 1.404,1278 1.635,1279 1.67,1280 0.717,1281 1.653,1282 1.329,1283 1.295,1284 1.598,1285 1.605,1286 0.667,1287 1.597,1288 1.197,1289 1.124,1290 1.576,1291 1.526,1292 0.59,1293 1.541,1294 1.152,1295 1.066,1296 1.516,1297 1.452,1298 0.569,1299 1.476,1300 1.06,1301 0.97,1302 1.376,1303 1.319,1304 0.522,1305 1.346,1306 0.908,1307 0.826,1308 1.261,1309 1.199,1310 0.378,1311 1.219,1312 3.97,1314 5.323,1316 6.921,1318 8.636,1320 10.415,1322 4.652,1327 19.107,1328 -0.106,1330 22.457,1332 -0.983,1334 -1.228,1340 27.578,1341 69.898,1342 159.624,1343 204.604,1344 218.869,1345 220.869,1346 226.869,1347 49.409,1348 7.347,1349 90.27,1350 90.27,1351 18,1352 12.824,1353 3.585,1354 2.7,1355 38.817,1356 70,1357 76,1358 0.295,1359 167.795,1360 294.32,1361 401.179,1362 12744,1364 17.32,1365 0.722,1366 0.579,1367 17.32,1368 13.905,1369 11.596,1370 0.446,1371 0.293,1372 7.395,1373 10.814,1374 7.16,1375 5.913,1376 11.596,1377 7.609,1378 9.987,1379 0.263,1380 0.148,1381 9.987,1382 5.635,1383 9.268,1384 0.166,1385 0.078,1386 9.268,1387 4.349,1388 7.976,1389 0.101,1390 0.041,1391 7.976,1392 3.211,1393 6.959,1394 0.064,1395 0.021,1396 6.959,1397 2.34,1398 0.433,1399 75.46,1400 0.245,1401 22.387,1402 0.908,1403 128,1404 448.887,1405 146.992,1406 403.631,1407 543.54,1408 382,1409 158,1410 380.344,1411 178.104,1412 382.489,1413 573.36,1414 355,1415 4.018}
{0 CHEMBL371181,1 1.485,2 5.714,3 1.91,4 3.65,5 46.855,6 9.508,7 0.667,8 3.162,9 3.199,10 2.918,11 2.709,12 4.533,13 2.764,14 3.589,15 3.64,16 3.234,17 2.981,18 4.992,19 3.052,20 3.669,21 3.77,22 3.119,23 2.799,24 5.397,25 2.861,26 3.436,27 3.487,28 3.089,29 2.637,30 5.256,31 2.762,32 3.363,33 3.425,34 2.83,35 2.506,36 5.028,37 2.603,38 3.155,39 3.252,40 2.443,41 2.317,42 4.507,43 2.358,44 2.914,45 3.089,46 1.813,47 2.184,48 3.871,49 2.071,50 2.492,51 2.803,52 0.531,53 1.532,54 3.045,55 1.219,56 0.132,57 0.228,58 1.951,59 1.8,60 12,61 1.473,62 0.267,63 0.348,64 3.799,65 2.728,66 24.097,67 2.074,68 0.545,69 0.369,70 6.863,71 2.943,72 64.179,73 2.682,74 0.39,75 0.283,76 4.396,77 2.186,78 42.193,79 1.672,80 0.379,81 0.261,82 4.364,83 2.003,84 49.361,85 1.183,86 0.271,87 0.217,88 3.803,89 1.705,90 32.928,91 1.102,92 0.18,93 0.184,94 3.383,95 1.544,96 11.123,97 1.553,98 0.086,99 0.129,100 3.182,101 1.186,102 9.497,103 1.861,104 5,105 20,106 0.309,107 0.55,108 0.649,109 0.691,110 0.691,111 0.691,112 2.733,113 0.79,114 -1.14,115 -1.23,116 -1.31,121 50,144 4,153 2,154 2,159 2,176 2,180 4,191 3,192 2,205 2,206 4,218 1,219 4,227 1,232 2,239 2,251 1,281 172,282 9.466,283 9.466,284 9.466,285 9.466,286 9.466,287 8.103,288 1.747,289 5.695,290 9.419,291 7.369,292 7.369,293 7.369,294 7.369,295 7.369,296 5.293,297 0.589,298 2.673,299 7.256,300 2.836,301 1.675,302 1.2,303 1,304 1,305 1,306 3.367,311 1,312 1,313 168,314 2.646,317 79.649,325 0.898,326 22.813,329 1,330 0.83,331 0.83,332 0.4,334 1,335 1,336 0.72,337 32,338 80,339 4.389,340 3.837,341 6.527,342 4.076,343 3.042,344 3.928,346 10.025,347 3.14,348 3.941,349 2.987,350 5.707,351 3.528,352 2.521,353 3.52,355 7.59,356 2.539,357 3.365,358 2.205,359 4.617,360 2.884,361 1.858,362 2.698,364 4.624,365 1.9,366 2.784,367 2.148,368 3.696,369 2.309,370 1.284,371 1.837,373 2.828,374 1.312,375 2.305,376 1.038,377 3.228,378 1.811,379 0.792,380 1.167,382 1.863,383 0.804,384 2.118,385 1.032,386 3,387 1.618,388 0.618,389 0.927,391 1.372,392 0.618,393 2.118,394 0.618,395 3,396 1.618,397 0.618,398 0.927,400 1.372,401 0.618,402 2.055,403 0.618,404 2.735,405 1.387,406 0.272,407 0.467,409 0.608,410 0.301,411 0.365,412 -0.256,413 2,414 -0.1,415 -1.194,416 -1.659,418 -2.744,419 -1.277,420 0.181,421 -0.98,422 1.458,423 -0.191,424 -1.231,425 -1.706,427 -2.828,428 -1.28,429 -0.084,430 -1.425,431 1.226,432 -0.471,433 -1.497,434 -2,436 -3.633,437 -1.567,438 -0.118,439 -1.618,440 1,441 -0.618,442 -1.618,443 -2.427,445 -4.372,446 -1.618,447 -0.118,448 -1.618,449 1,450 -0.618,451 -1.618,452 -2.427,454 -4.372,455 -1.618,456 -0.461,457 -1.787,458 0.404,459 -0.834,460 -1.846,461 -2.618,463 -5.198,464 -1.871,465 -0.841,466 -2,467 0.403,468 -1,469 -2,470 -2.633,472 -7.135,473 -2,474 6.333,475 0.452,476 0.298,477 0.021,478 20,479 1.429,480 11,481 0.786,482 9,483 0.643,484 6.24,485 0.446,486 14.667,487 0.733,488 12.505,489 0.893,490 4.38,491 0.313,492 2.408,493 0.172,494 0.105,496 0.316,501 0.745,502 1.088,503 0.559,504 1.055,505 0.567,506 0.832,507 1.034,508 1.19,509 0.813,510 1.156,511 0.758,512 0.97,513 0.882,514 0.894,515 0.927,516 0.9,517 0.803,518 0.924,519 1.066,520 1.026,521 0.716,522 0.979,523 1.58,524 0.775,525 1.528,526 0.952,527 1.293,528 0.931,529 2.159,530 0.966,531 1.581,532 0.95,533 1.528,534 0.955,535 1.355,536 1.121,537 0.862,538 0.888,539 1.57,540 0.985,541 0.311,542 1.416,543 0.053,544 1.258,545 1.153,546 1.386,547 0.107,548 1.689,549 2,551 1.778,552 0.806,553 0.64,554 0.222,555 0.059,559 1301,560 5005,561 2.034,562 30,564 4,565 2,572 1.51,573 1.909,574 2.634,575 -0.696,579 1,582 29.71,583 1.485,584 2.646,585 3.122,586 3.322,587 3.322,588 3.322,589 1.95,590 2.236,591 3.784,592 2.683,593 244.148,594 6.309,595 1911.6,597 1,600 86.439,601 1.379,602 3.74,603 0.133,605 0.089,606 0.05,607 0.04,608 0.019,609 0.007,613 0.338,614 0.67,615 1,616 0.673,617 52.519,618 -0.069,619 -0.144,620 0.038,621 -0.128,622 -0.064,623 -0.038,624 -0.185,625 -0.251,626 -0.092,627 -0.237,628 -0.118,629 -0.158,630 0.215,631 0.06,632 0.109,633 0.048,634 0.314,635 0.031,636 0.108,637 -0.078,638 0.183,639 -0.064,640 -0.014,641 0.042,642 -0.286,643 0.001,644 -0.361,645 -0.015,646 -0.496,647 -0.152,648 -0.476,649 0.001,650 -0.555,651 -0.019,652 -0.413,653 -0.218,654 -0.168,655 0.062,656 -0.52,657 0.009,658 -0.027,659 -0.282,660 0.355,661 -0.333,662 0.298,663 -0.328,664 0.267,665 -0.146,666 2.37,667 4.401,668 0.714,669 5.959,670 1.048,671 1.104,672 -0.094,673 0.009,674 0.705,675 2.773,676 3.045,677 3.296,678 3.434,679 3.219,680 3.219,681 3.045,682 2.833,683 2.565,684 2.197,685 3.749,686 0.722,687 190.16,688 2.773,689 4.263,690 5.094,691 5.938,692 6.783,693 7.632,694 8.481,695 9.331,696 10.182,697 11.033,715 6,718 2,720 2,722 10,727 2,741 20,743 12,745 15,747 21,748 10,749 8,752 2,756 2,757 2,772 10,777 2,782 2,786 2,792 2,793 6,794 4,796 4,808 1,809 4,828 2,859 2,868 14,893 20,896 2,898 2,901 7.333,902 3.667,903 3.167,904 1.076,907 1.636,908 1.305,909 0.954,910 2.228,911 7.001,912 3.135,913 3.676,914 4.259,915 4.702,916 4.582,917 4.862,918 4.808,919 4.808,920 4.925,921 4.925,922 0.75,923 16,924 5.152,925 0.002,926 2.221,927 0.026,929 8.333,931 9.166,932 0.001,933 7.065,934 -0.001,936 2.833,937 39.667,938 0.002,941 70.627,942 82.549,945 69.305,948 82.549,949 139.931,953 61.384,954 60.557,955 19.015,956 34.44,957 47.084,959 70.627,960 82.549,961 69.305,964 70.627,965 69.305,969 82.549,972 70.627,973 69.305,974 82.549,977 70.627,978 21.165,979 61.384,981 69.305,982 70.627,983 69.305,984 82.549,986 0.573,987 0.348,988 0.178,989 0.062,990 10,991 4,992 0.143,993 3,995 1,996 2.662,997 85.605,999 10,1000 39.303,1005 8.815,1006 3.539,1007 1.647,1009 69.305,1010 8.628,1013 9.605,1015 0.04,1018 222.48,1019 22,1024 22.802,1028 -1.408,1031 20.96,1032 22.083,1034 0.344,1035 0.612,1036 0.722,1037 0.769,1038 0.769,1039 0.769,1040 4.311,1041 0.272,1042 5.056,1043 1.372,1044 3.714,1045 4.357,1047 5.832,1048 3.752,1049 5.504,1050 -1.194,1051 6.603,1052 0.608,1053 3.219,1054 3.951,1056 6.706,1057 3.311,1058 6.79,1059 -1.231,1060 8.261,1061 -2.744,1062 5.263,1063 6.487,1065 9.815,1066 5.346,1067 8.122,1068 -1.497,1069 9.986,1070 -2.828,1071 5.707,1072 7.062,1074 11.536,1075 5.85,1076 9.49,1077 -1.618,1078 11.753,1079 -3.633,1080 7.133,1081 8.879,1083 14.142,1084 7.277,1085 10.882,1086 -1.618,1087 13.548,1088 -4.372,1089 7.958,1090 9.869,1092 16.172,1093 8.156,1094 12.292,1095 -1.846,1096 15.361,1097 -4.372,1098 9.173,1099 11.413,1101 18.61,1102 9.385,1103 3.042,1104 -2,1105 17.186,1106 -5.198,1107 10.155,1108 12.594,1110 20.777,1111 10.415,1112 2.521,1113 10.025,1114 19.02,1115 -7.135,1116 11.296,1117 14.025,1119 23.144,1120 11.579,1121 1.858,1122 7.59,1123 20.861,1124 3.928,1125 12.346,1126 15.297,1128 25.378,1129 12.671,1130 1.284,1131 4.624,1132 22.708,1133 3.52,1134 13.462,1135 16.681,1137 27.713,1138 13.814,1139 0.792,1140 2.828,1141 24.558,1142 2.698,1143 14.542,1144 17.995,1146 29.981,1147 14.933,1148 0.618,1149 1.863,1150 26.412,1151 1.837,1152 15.65,1153 19.36,1155 32.3,1156 16.072,1157 0.618,1158 1.372,1159 28.27,1160 1.167,1161 16.744,1162 20.696,1164 34.586,1165 17.202,1166 1339,1167 2712,1168 9.94,1169 14.102,1170 22.684,1171 23.848,1172 22.353,1173 22.037,1174 22.009,1175 30.941,1177 60.568,1178 22.463,1179 5.23,1180 5.837,1181 6.124,1182 5.076,1183 5.042,1184 6.56,1186 17.16,1187 5.14,1188 5.393,1189 1.512,1190 1.59,1191 1.49,1192 1.469,1193 1.467,1194 2.063,1196 4.038,1197 1.498,1198 3.973,1199 3.967,1200 3.94,1201 3.811,1202 7.497,1203 3.84,1204 3.832,1205 3.836,1206 3.779,1207 3.67,1208 7.352,1209 3.692,1210 3.308,1211 3.297,1212 3.269,1213 3.101,1214 5.06,1215 3.139,1216 2.633,1217 2.641,1218 2.578,1219 2.423,1220 5.034,1221 2.441,1222 2.422,1223 2.491,1224 2.239,1225 2.165,1226 3.621,1227 2.164,1228 2.411,1229 2.46,1230 2.237,1231 2.072,1232 3.62,1233 2.111,1234 2.132,1235 2.162,1236 1.999,1237 1.759,1238 3.27,1239 1.828,1240 2.031,1241 2.024,1242 1.929,1243 1.517,1244 3.127,1245 1.636,1246 0.293,1247 0.256,1248 0.435,1249 0.272,1250 0.203,1251 4.389,1252 0.262,1253 3.837,1255 6.527,1256 0.668,1257 4.076,1258 0.209,1259 3.042,1260 3.928,1262 10.025,1263 3.14,1264 1.648,1265 1.654,1266 1.724,1267 1.828,1268 0.773,1269 1.775,1270 1.468,1271 1.43,1272 1.646,1273 1.588,1274 0.689,1275 1.606,1276 1.385,1277 1.363,1278 1.529,1279 1.586,1280 0.445,1281 1.582,1282 1.204,1283 1.215,1284 1.316,1285 1.51,1286 0.245,1287 1.442,1288 0.693,1289 0.698,1290 0.866,1291 1.045,1293 0.974,1294 0.018,1295 0.033,1296 0.359,1297 0.515,1299 0.4,1302 0.341,1303 0.104,1305 0.195,1308 0.248,1309 0.101,1311 0.19,1312 3.434,1314 4.71,1315 3.045,1316 6.163,1317 5.13,1318 7.699,1319 6.986,1320 9.283,1340 14.44,1341 29.71,1342 52.929,1343 62.439,1344 66.439,1345 66.439,1346 66.439,1347 22.898,1348 5.366,1349 60.42,1350 60.42,1351 10,1352 11.59,1353 3.7,1354 3,1355 21.285,1356 31,1357 22,1358 0.355,1359 90.328,1360 154.36,1361 212.159,1362 1017,1364 9.966,1365 0.712,1366 0.507,1367 9.966,1368 7.097,1369 6.788,1370 0.453,1371 0.263,1372 3.861,1373 6.397,1374 3.822,1375 3.16,1376 6.788,1377 3.949,1378 5.807,1379 0.29,1380 0.131,1381 5.807,1382 2.613,1383 5.116,1384 0.197,1385 0.065,1386 5.116,1387 1.696,1388 3.825,1389 0.127,1390 0.035,1391 3.825,1392 1.039,1393 1.906,1394 0.079,1395 0.017,1396 1.906,1397 0.418,1398 0.525,1399 43.697,1400 0.317,1401 14.12,1402 1.061,1403 70,1404 308.942,1405 81.293,1406 282.335,1407 369.92,1408 262,1409 81,1410 260,1411 93.291,1412 255.672,1413 372.74,1414 240,1415 4}
{0 CHEMBL371276,1 1.611,2 6.111,3 1.592,4 2.536,5 62.988,6 8.457,7 0.55,8 3.526,9 3.593,10 3.202,11 3.026,12 4.741,13 3.064,14 4.051,15 4.17,16 3.562,17 3.387,18 5.268,19 3.428,20 4.115,21 4.197,22 3.738,23 3.553,24 5.398,25 3.584,26 4.263,27 4.365,28 3.702,29 3.546,30 5.513,31 3.568,32 4.326,33 4.477,34 3.46,35 3.398,36 5.526,37 3.386,38 4.158,39 4.383,40 2.906,41 3.093,42 5.249,43 2.978,44 3.838,45 4.152,46 2.234,47 2.633,48 4.803,49 2.435,50 3.057,51 3.349,52 1.279,53 1.828,54 4.159,55 1.637,56 0.104,57 0.385,58 4.555,59 2.737,60 5.595,61 2.802,62 0.464,63 0.607,64 11.058,65 4.308,66 31.791,67 4.39,68 0.36,69 0.688,70 9.218,71 4.828,72 23.712,73 5.092,74 0.43,75 0.749,76 11.914,77 5.592,78 28.788,79 5.765,80 0.646,81 0.754,82 15.469,83 5.633,84 39.182,85 5.981,86 0.57,87 0.619,88 15.554,89 5.196,90 46.069,91 6.601,92 0.426,93 0.457,94 13.567,95 3.751,96 35.333,97 5.66,98 0.183,99 0.205,100 5.805,101 1.512,102 22.816,103 2.114,104 14,105 29,106 0.308,107 0.655,108 0.774,109 0.8,110 0.814,111 0.853,112 2.964,113 0.818,114 -2.27,115 -2.31,116 -2.28,121 44.8,126 2,127 1,144 2,145 3,146 2,147 1,148 1,160 1,176 4,179 1,180 5,187 4,191 3,192 8,200 2,205 1,206 7,218 2,219 5,231 2,243 1,281 272,282 12.447,283 12.447,284 12.447,285 12.447,286 12.447,287 11.075,288 12.243,289 7.091,290 12.94,291 9.725,292 9.725,293 9.725,294 9.725,295 9.725,296 7.384,297 13.409,298 3.125,299 10.287,300 3.247,301 1.431,302 0.811,303 0.673,304 0.604,305 0.397,306 3.641,311 1,312 1,313 235,314 2.345,318 89.904,322 154.439,324 64.534,325 0.914,326 21.971,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 40.5,338 110,339 4.74,340 3.743,341 7.029,342 4.308,343 3.328,344 4.681,345 1.727,346 12.063,347 3.259,348 4.09,349 3.359,350 6.289,351 3.698,352 2.746,353 3.6,354 0.86,355 9.345,356 2.604,357 3.711,358 2.728,359 5.617,360 3.28,361 2.303,362 3.145,363 0.86,364 7.189,365 2.24,366 3.393,367 2.491,368 5.354,369 3.008,370 2.045,371 2.662,372 0.636,373 6.478,374 1.957,375 2.924,376 2.007,377 4.387,378 2.424,379 1.511,380 2.069,382 4.003,383 1.368,384 2.695,385 1.753,386 4.013,387 2.257,388 1.313,389 1.744,391 3.12,392 1.233,393 2.198,394 1.464,395 3.639,396 1.949,397 1.074,398 1.167,400 2.354,401 0.927,402 1.662,403 1.108,404 2.988,405 1.276,406 0.395,407 0.455,409 0.647,410 0.34,411 1.486,412 0.973,413 2.809,414 1.165,415 0.25,416 0.305,418 0.435,419 0.226,420 1.067,421 0.323,422 2.464,423 0.616,424 -0.349,425 -0.451,427 -0.768,428 -0.332,429 0.95,430 -0.089,431 2.428,432 0.533,433 -0.407,434 -0.525,436 -0.905,437 -0.375,438 0.681,439 -0.337,440 2.319,441 0.302,442 -0.641,443 -0.808,445 -1.682,446 -0.599,447 0.284,448 -0.444,449 2.068,450 -0.117,451 -1.094,452 -1.46,454 -2.791,455 -1.039,456 -0.002,457 -0.889,458 1.692,459 -0.383,460 -1.303,461 -1.652,463 -3.319,464 -1.192,465 -0.338,466 -1.131,467 1.392,468 -0.648,469 -1.624,470 -1.935,472 -4.689,473 -1.466,474 8.233,475 0.457,476 0.414,477 0.023,478 24.75,479 1.375,480 12.5,481 0.694,482 12.25,483 0.681,484 11.397,485 0.633,486 19.367,487 0.668,488 16.861,489 0.937,490 5.225,491 0.29,492 3.533,493 0.196,494 0.162,496 0.425,501 0.81,502 1.29,503 0.634,504 1.178,505 0.607,506 0.925,507 1.201,508 0.704,509 0.766,510 0.565,511 0.748,512 0.532,513 0.712,514 1.054,515 0.69,516 1.028,517 0.69,518 0.893,519 1.063,520 1.315,521 0.987,522 1.285,523 1.091,524 1.156,525 1.302,526 1.098,527 1.308,528 1.167,529 1.039,530 1.223,531 0.94,532 1.017,533 1.218,534 1.105,535 0.958,536 1.23,537 0.597,538 0.689,539 0.92,540 0.725,541 0.59,542 0.87,543 1.077,544 0.771,545 1.386,546 0.882,547 2.37,548 1.125,549 3,551 2.444,552 1.75,553 1.653,554 0.611,555 0.343,556 0.115,559 2288,560 7618,561 2.086,562 37.9,564 10,566 1,572 1.598,573 1.929,574 2.641,575 -0.709,577 1,578 1,579 1,582 46.722,583 1.611,584 3.427,585 4.047,586 4.185,587 4.254,588 4.461,589 2.124,590 3.35,591 4.144,592 2.671,593 408.736,594 7.088,595 3707.1,597 1,599 1,600 140.881,601 1.481,602 4.09,603 0.15,605 0.084,606 0.051,607 0.053,608 0.028,609 0.031,610 0.023,613 0.421,614 0.83,615 1,616 1.015,617 72.807,618 -0.062,619 -0.226,620 0.068,621 -0.164,622 -0.052,623 -0.042,624 -0.138,625 0.31,626 0.131,627 0.412,628 -0.007,629 0.373,630 0.13,631 0.016,632 0.065,633 -0.035,634 0.071,635 -0.016,636 -0.071,637 -0.33,638 -0.14,639 -0.307,640 -0.104,641 -0.262,642 -0.153,643 -0.147,644 -0.32,645 -0.231,646 -0.103,647 -0.307,648 0.028,649 -0.144,650 -0.115,651 -0.145,652 0.022,653 -0.177,654 0.17,655 0.186,656 0.317,657 0.224,658 0.231,659 0.303,660 -0.18,661 0.153,662 -0.166,663 0.016,664 -0.362,665 -0.033,666 2.069,667 4.669,668 0.722,669 8.988,670 1.029,671 1.118,672 1.043,673 1.087,674 0.677,675 3.045,676 3.401,677 3.784,678 4.127,679 4.431,680 4.533,681 4.654,682 4.673,683 4.71,684 4.477,685 3.786,686 0.673,687 245.25,688 3.045,689 4.595,690 5.493,691 6.412,692 7.331,693 8.257,694 9.181,695 10.109,696 11.035,697 11.962,698 3.4,708 1,714 2,715 3,716 1,720 4,722 11,732 1,739 2,741 29,743 12,744 1,745 20,747 31,748 13,749 9,750 5,751 1,752 1,756 3,757 7,772 10,773 3,777 1,782 1,786 1,790 1,793 11,794 5,796 5,802 1,808 0.333,809 4,822 1,829 3,833 3,835 1,859 1,864 2,868 18,876 1,878 3,893 13.8,896 1,898 3,901 9.333,902 6.117,903 4.083,904 1.561,907 2.503,908 1.368,909 0.977,910 2.598,911 9.312,912 3.314,913 3.98,914 4.694,915 5.371,916 6.018,917 6.405,918 6.816,919 7.13,920 7.473,921 7.433,922 1,923 34,924 6.625,926 2.84,927 0.026,929 7.926,931 12.333,933 9.958,936 2.426,937 43.667,938 0.001,941 129.482,942 83.125,943 16.786,945 58.145,948 83.125,949 187.627,950 16.786,951 21.766,952 4.592,953 18.952,954 60.893,955 63.622,957 117.711,959 129.482,960 99.91,961 58.145,964 129.482,965 58.145,968 16.397,969 66.728,970 16.786,972 129.482,973 74.93,974 83.125,977 129.482,978 33.359,979 49.766,981 74.93,982 129.482,983 74.93,984 83.125,986 0.579,987 0.379,988 0.227,989 0.13,990 16,991 7,992 0.065,993 2,994 3,995 1.385,996 2.878,997 141.205,998 0.462,999 12,1000 75.059,1005 11.295,1006 4.14,1007 1.567,1008 1.677,1009 74.93,1010 5.254,1011 4.078,1015 2.339,1018 287.537,1019 26.5,1024 11.669,1028 -0.402,1031 29.829,1032 32.412,1034 0.332,1035 0.705,1036 0.833,1037 0.862,1038 0.876,1039 0.918,1040 4.562,1041 0.395,1042 5.501,1043 2.354,1044 4.078,1045 4.663,1046 2.374,1047 6.409,1048 3.985,1049 5.799,1050 0.25,1051 7.119,1052 0.647,1053 3.761,1054 4.677,1056 7.509,1057 3.683,1058 7.149,1059 -0.349,1060 8.84,1061 0.435,1062 5.753,1063 7.01,1064 3.06,1065 10.674,1066 5.607,1067 8.541,1068 -0.407,1069 10.622,1070 -0.768,1071 6.275,1072 7.861,1074 12.594,1075 6.135,1076 9.967,1077 -0.641,1078 12.441,1079 -0.905,1080 7.745,1081 9.693,1082 4.023,1083 15.297,1084 7.562,1085 11.418,1086 -1.094,1087 14.286,1088 -1.682,1089 8.646,1090 10.923,1092 17.55,1093 8.458,1094 12.887,1095 -1.303,1096 16.15,1097 -2.791,1098 9.925,1099 12.57,1100 5.08,1101 20.104,1102 9.709,1103 3.328,1104 -1.624,1105 18.027,1106 -3.319,1107 10.993,1108 13.972,1110 22.493,1111 10.765,1112 2.746,1113 12.063,1114 19.916,1115 -4.689,1116 12.208,1117 15.55,1118 6.163,1119 24.999,1120 11.958,1121 2.303,1122 9.345,1123 21.814,1124 4.681,1125 13.348,1126 17.029,1128 27.445,1129 13.083,1130 2.045,1131 7.189,1132 23.719,1133 3.6,1134 14.544,1135 18.582,1136 7.254,1137 29.935,1138 14.26,1139 1.511,1140 6.478,1141 25.63,1142 3.145,1143 15.715,1144 20.096,1146 32.405,1147 15.414,1148 1.313,1149 4.003,1150 27.546,1151 2.662,1152 16.908,1153 21.641,1154 8.346,1155 34.892,1156 16.589,1157 1.074,1158 3.12,1159 29.467,1160 2.069,1161 18.093,1162 23.17,1164 37.372,1165 17.756,1166 2319,1167 4314,1168 13.235,1169 19.631,1170 29.945,1171 31.838,1172 32.234,1173 29.808,1174 29.928,1175 39.654,1176 8.167,1177 91.268,1178 28.307,1179 5.644,1180 5.743,1181 6.572,1182 5.393,1183 5.328,1184 7.681,1185 3.455,1186 19.655,1187 5.259,1188 8.497,1189 1.497,1190 1.592,1191 1.612,1192 1.49,1193 1.496,1194 1.983,1195 0.408,1196 4.563,1197 1.415,1198 4.118,1199 4.129,1200 4.095,1201 4.045,1202 7.433,1203 4.055,1204 3.539,1205 3.558,1206 3.495,1207 3.347,1208 5.013,1209 3.375,1210 3.434,1211 3.449,1212 3.359,1213 3.24,1214 4.71,1215 3.266,1216 3.225,1217 3.292,1218 3.029,1219 2.914,1220 4.506,1221 2.922,1222 3.117,1223 3.191,1224 2.933,1225 2.868,1226 4.361,1227 2.868,1228 2.846,1229 2.892,1230 2.698,1231 2.654,1232 4.039,1233 2.653,1234 2.623,1235 2.653,1236 2.523,1237 2.399,1238 3.587,1239 2.431,1240 2.511,1241 2.552,1242 2.384,1243 2.357,1244 3.29,1245 2.362,1246 0.237,1247 0.187,1248 0.351,1249 0.215,1250 0.166,1251 4.74,1252 0.234,1253 3.743,1254 0.086,1255 7.029,1256 0.603,1257 4.308,1258 0.163,1259 3.328,1260 4.681,1261 1.727,1262 12.063,1263 3.259,1264 2.065,1265 2.055,1266 2.113,1267 2.155,1268 1.311,1269 2.141,1270 1.443,1271 1.417,1272 1.636,1273 1.681,1274 0.715,1275 1.658,1276 1.345,1277 1.328,1278 1.585,1279 1.586,1280 0.616,1281 1.575,1282 1.169,1283 1.088,1284 1.528,1285 1.5,1286 0.57,1287 1.509,1288 1.088,1289 1.008,1290 1.355,1291 1.342,1292 0.413,1293 1.356,1294 0.806,1295 0.758,1296 1.044,1297 1.049,1298 0.165,1299 1.049,1300 0.523,1301 0.501,1302 0.721,1303 0.783,1305 0.763,1306 0.476,1307 0.436,1308 0.637,1309 0.655,1311 0.648,1312 3.714,1314 5.056,1316 6.642,1318 8.346,1320 10.111,1322 3.139,1328 0.175,1330 15.738,1340 19.515,1341 46.722,1342 99.372,1343 117.372,1344 121.372,1345 123.372,1346 129.372,1347 24.679,1348 6.809,1349 57.65,1350 57.65,1351 18,1352 12.466,1353 3.7,1354 2.907,1355 25.39,1356 43,1357 38,1358 0.331,1359 118.506,1360 204.9,1361 280.914,1362 6645,1364 12.698,1365 0.705,1366 0.557,1367 12.698,1368 10.019,1369 8.758,1370 0.438,1371 0.273,1372 5.309,1373 8.196,1374 5.144,1375 4.268,1376 8.758,1377 5.456,1378 7.627,1379 0.263,1380 0.135,1381 7.627,1382 3.924,1383 7.088,1384 0.165,1385 0.071,1386 7.088,1387 3.034,1388 6.336,1389 0.104,1390 0.037,1391 6.336,1392 2.257,1393 5.489,1394 0.066,1395 0.019,1396 5.489,1397 1.584,1398 0.474,1399 56.716,1400 0.275,1401 17.124,1402 1.059,1403 98,1404 364.587,1405 111.345,1406 333.124,1407 451.94,1408 314,1409 121,1410 324.647,1411 135.179,1412 327.561,1413 486.38,1414 304,1415 4.708}
{0 CHEMBL371371,1 1.406,2 3.125,3 0.461,4 0.212,5 28.966,6 7.009,8 2.844,9 2.949,10 2.336,11 2.394,12 3.953,13 2.355,14 3.432,15 3.612,16 2.677,17 2.765,18 4.482,19 2.701,20 3.691,21 3.907,22 2.591,23 2.65,24 5.139,25 2.566,26 3.383,27 3.641,28 1.431,29 2,30 4.668,31 1.834,32 2.31,33 2.648,34 0.321,35 0.871,36 3.332,37 0.684,56 0.015,57 0.203,58 3.328,59 1.713,60 6.71,61 2.15,62 0.052,63 0.331,64 6.62,65 2.822,66 21.003,67 3.769,68 0.244,69 0.346,70 9.577,71 2.919,72 65.41,73 4.113,74 0.27,75 0.201,76 7.711,77 1.664,78 59.303,79 2.403,80 0.096,81 0.055,82 2.619,83 0.471,84 20.501,85 0.782,104 10,105 11,106 0.337,107 0.54,108 0.798,109 0.828,110 0.828,111 0.828,112 2.27,113 1.045,114 -1.29,115 -1.38,116 -1.44,121 37.5,122 1,123 2,124 1,158 2,176 3,180 2,187 2,191 1,192 5,200 1,206 1,281 28,282 4.983,283 4.983,284 4.983,285 4.983,286 4.983,287 4.761,288 7.757,289 2.828,290 4.929,291 3.875,292 3.875,293 3.875,294 3.875,295 3.875,296 3.378,297 8.352,298 1.301,299 3.752,300 2.594,301 1.75,302 0.672,303 0.547,304 0.547,305 0.547,306 2.792,312 1,313 47,314 1.225,317 19.067,325 0.438,326 13.981,329 1,330 0.67,331 0.83,332 1,333 0.5,334 1,335 1,336 0.86,337 18,338 25,339 4.192,340 3.954,341 6.287,342 3.986,343 2.947,344 3.47,345 1.277,346 9.124,347 3.055,348 3,349 2.975,350 4.732,351 2.774,352 1.732,353 2,354 1.277,355 4.726,356 1.796,357 2.471,358 1.968,359 3.81,360 2.208,361 1.159,362 1.353,364 2.805,365 1.208,366 1.446,367 0.989,368 2,369 1.1,375 0.368,376 0.02,377 2,378 0.054,379 -1,380 -1.139,382 -2.414,383 -1.042,385 -0.733,386 1.268,387 -0.19,388 -1.286,389 -1.683,391 -3.118,392 -1.415,393 -0.695,394 -1.384,395 1.215,396 -0.722,397 -1.732,398 -2,399 -1.277,400 -4.812,401 -1.751,402 -0.783,403 -1.63,404 0.687,405 -0.808,406 -1.821,407 -2,408 -1.277,409 -6.312,410 -1.851,474 3.667,475 0.458,476 0.285,477 0.036,478 7.5,479 0.938,480 3,481 0.375,482 4.5,483 0.563,484 5.113,485 0.639,486 9.533,487 0.596,488 3.692,489 0.461,490 1.27,491 0.159,492 2.445,493 0.306,494 0.318,496 0.409,501 0.473,502 1.25,503 0.782,504 1.245,505 0.488,506 1.115,507 0.498,508 1.2,509 0.733,510 1.189,511 0.524,512 1.046,513 0.86,514 1.211,515 0.965,516 1.203,517 0.88,518 1.125,519 1.882,520 0.666,521 1.497,522 0.689,523 1.827,524 0.948,525 1.554,527 0.937,528 0.01,529 1.521,530 0.269,549 2,551 1.556,552 0.792,559 193,560 679,561 1.795,562 50,563 5,568 3,572 1.311,573 1.6,574 1.863,575 -0.71,582 22.49,583 1.406,584 2.25,585 3.328,586 3.453,587 3.453,588 3.453,589 1.299,590 2.25,591 2.976,592 1.734,593 48.552,594 4.685,595 271.724,600 64,601 1.561,602 2.858,603 0.25,605 0.141,606 0.099,613 0.49,614 1,615 1,616 0.906,617 21.26,622 0.005,624 0.049,625 -0.112,626 0.102,627 -0.093,628 0.03,629 0.002,630 0.13,631 -0.313,632 -0.016,633 -0.305,634 0.106,635 -0.214,636 -0.443,637 0.069,638 -0.441,639 0.034,640 -0.392,641 -0.168,642 -0.274,643 0.599,644 0.16,645 0.607,646 -0.27,647 0.512,666 1.85,667 3.556,668 0.625,669 2.375,670 1.012,671 1.13,672 0.062,673 0.004,674 0.622,675 2.197,676 2.485,677 2.639,678 2.565,679 2.079,680 1.099,685 2.236,686 0.596,687 112.14,688 2.197,689 3.664,690 4.466,691 5.293,692 6.116,693 6.946,694 7.772,695 8.602,696 9.429,697 10.26,741 16,743 2,745 8,747 16,748 6,752 2,756 1,757 1,763 1,767 2,768 1,770 2,772 2,773 4,774 1,777 2,782 2,786 2,793 8,794 2,796 2,808 1,809 2,828 1,841 2,859 1,864 1,868 8,876 2,880 1,893 12.5,896 2,901 5,902 3.167,903 1.806,904 1.104,907 0.373,908 1.09,909 0.864,910 1.164,911 4.5,912 2.398,913 2.773,914 3.091,915 2.89,916 2.565,917 1.946,922 1,923 8,924 2.972,925 0.063,926 1.259,927 0.081,929 8.458,931 5.511,932 0.026,933 4.475,934 0.043,935 0.004,936 2.958,937 23.667,938 0.034,941 94.169,942 24.161,945 50.29,948 24.161,949 144.459,951 8.825,952 5.069,954 60.557,957 94.169,959 94.169,960 24.161,961 50.29,964 94.169,965 50.29,968 13.894,969 10.267,972 94.169,973 50.29,974 24.161,977 94.169,978 15.336,979 8.825,981 50.29,982 94.169,983 50.29,984 24.161,986 0.596,987 0.354,988 0.135,989 0.041,990 6,991 3,995 1,996 1.842,997 34.983,999 5,1000 24,1005 5.487,1006 1.697,1007 0.817,1009 50.29,1018 168.62,1019 10,1024 20.991,1028 -0.359,1031 16.189,1032 18.08,1034 0.351,1035 0.563,1036 0.832,1037 0.863,1038 0.863,1039 0.863,1040 3.611,1041 -1.821,1042 4.489,1043 -4.812,1044 3.135,1045 3.434,1046 2.019,1047 5.263,1048 3.203,1049 4.779,1051 6.066,1052 -6.312,1053 2.944,1054 3.434,1056 6.176,1057 3.063,1058 6.071,1060 7.746,1062 4.71,1063 5.333,1064 2.456,1065 9.185,1066 4.844,1067 7.4,1069 9.478,1071 5.303,1072 6.133,1074 10.874,1075 5.495,1076 8.763,1078 11.241,1080 6.627,1081 7.585,1082 2.912,1083 13.408,1084 6.835,1085 10.146,1087 13.025,1089 7.53,1090 8.682,1092 15.396,1093 7.789,1094 11.545,1096 14.823,1098 8.698,1099 9.992,1100 3.38,1101 17.75,1102 8.981,1103 2.947,1105 16.632,1107 9.715,1108 11.188,1110 19.861,1111 10.042,1112 1.732,1113 9.124,1114 18.449,1116 10.827,1117 12.454,1118 3.857,1119 22.137,1120 11.185,1121 1.159,1122 4.726,1123 20.271,1124 3.47,1125 11.885,1126 13.682,1128 24.303,1129 12.282,1131 2.805,1132 22.098,1133 2,1134 12.978,1135 14.933,1136 4.338,1137 26.544,1138 13.408,1139 -1,1141 23.927,1142 1.353,1143 14.05,1144 16.172,1146 28.734,1147 14.518,1148 -1.286,1149 -2.414,1150 25.759,1152 15.135,1153 17.418,1154 4.823,1155 30.959,1156 15.638,1157 -1.732,1158 -3.118,1159 27.593,1160 -1.139,1161 16.213,1162 18.661,1164 33.16,1165 16.753,1166 257,1167 509,1168 4.682,1169 9.955,1170 12.218,1171 13.613,1172 13.16,1173 11.735,1174 11.677,1175 13.645,1176 5.11,1177 33.311,1178 12.118,1179 4.974,1180 5.583,1181 5.6,1182 4.794,1183 4.768,1184 5.47,1185 2.555,1186 15.436,1187 4.906,1188 4.233,1189 1.527,1190 1.702,1191 1.645,1192 1.467,1193 1.46,1194 1.706,1195 0.639,1196 4.164,1197 1.515,1198 3.9,1199 3.926,1200 3.821,1201 3.768,1202 7.496,1203 3.774,1204 3.19,1205 3.266,1206 3.002,1207 2.985,1208 7.351,1209 2.973,1210 2.93,1211 2.959,1212 2.786,1213 2.663,1214 4.118,1215 2.689,1216 2.578,1217 2.646,1218 2.374,1219 2.256,1220 3.573,1221 2.259,1222 2.027,1223 2.079,1224 1.718,1225 1.518,1226 2.668,1227 1.577,1228 1.697,1229 1.855,1230 1.185,1231 1.253,1232 2.427,1233 1.219,1234 0.941,1235 1.207,1236 0.11,1237 0.38,1238 1.631,1239 0.262,1240 0.941,1241 1.207,1242 0.083,1243 0.38,1244 0.999,1245 0.262,1246 0.524,1247 0.494,1248 0.786,1249 0.498,1250 0.368,1251 4.192,1252 0.434,1253 3.954,1254 0.16,1255 6.287,1256 1.141,1257 3.986,1258 0.382,1259 2.947,1260 3.47,1261 1.277,1262 9.124,1263 3.055,1264 1.657,1265 1.607,1266 1.904,1267 1.823,1268 1.225,1269 1.851,1270 1.508,1271 1.489,1272 1.686,1273 1.718,1274 0.857,1275 1.699,1276 0.892,1277 0.8,1278 1.251,1279 1.199,1280 0.318,1281 1.226,1282 0.218,1283 0.136,1284 0.706,1285 0.636,1287 0.652,1290 0.444,1291 0.469,1293 0.431,1297 0.163,1299 0.146,1312 2.833,1314 4.111,1315 2.398,1316 5.572,1317 4.727,1318 7.101,1319 6.742,1320 8.663,1322 1.799,1328 1.234,1332 0.002,1340 9.537,1341 22.49,1342 36,1343 53.245,1344 55.245,1345 55.245,1346 55.245,1347 14.342,1348 4.127,1349 34.14,1350 34.14,1351 5,1352 10.833,1353 1.585,1354 1.585,1355 11.83,1356 11,1357 7,1358 0.699,1359 63.069,1360 112.3,1361 145.648,1362 164,1364 6.146,1365 0.768,1366 0.601,1367 6.146,1368 4.808,1369 3.715,1370 0.464,1371 0.348,1372 2.758,1373 3.585,1374 2.66,1375 2.21,1376 3.715,1377 2.786,1378 3.391,1379 0.308,1380 0.202,1381 3.391,1382 2.227,1383 2.872,1384 0.221,1385 0.117,1386 2.872,1387 1.527,1388 1.612,1389 0.134,1390 0.073,1391 1.612,1392 0.877,1393 0.744,1394 0.106,1395 0.046,1396 0.744,1397 0.321,1398 0.901,1399 23.446,1400 0.462,1401 7.419,1402 2.511,1403 38,1404 145.471,1405 42.207,1406 134.196,1407 165.44,1408 122,1409 43,1410 104.273,1411 47.429,1412 103.512,1413 148.45,1414 97,1415 4}
{0 CHEMBL371523,1 1.285,2 7.824,3 3.155,4 9.953,5 66.622,6 7.733,7 0.667,8 3.433,9 3.524,10 3.029,11 3.113,12 4.637,13 3.072,14 3.888,15 4.012,16 3.309,17 3.437,18 5.063,19 3.376,20 4.15,21 4.325,22 3.327,23 3.473,24 5.402,25 3.4,26 4.066,27 4.243,28 3.197,29 3.284,30 5.514,31 3.217,32 3.943,33 4.148,34 3.046,35 3.136,36 5.245,37 3.073,38 3.786,39 3.974,40 2.903,41 3.013,42 5.12,43 2.957,44 3.566,45 3.738,46 2.729,47 2.918,48 4.834,49 2.842,50 3.466,51 3.676,52 2.376,53 2.82,54 4.458,55 2.667,56 0.002,57 0.312,58 4.911,59 2.677,60 4.325,61 3.315,62 0.007,63 0.505,64 8.487,65 4.338,66 10.365,67 5.431,68 0.106,69 0.667,70 13.129,71 5.678,72 33.053,73 6.929,74 0.214,75 0.607,76 12.57,77 5.118,78 59.511,79 6.136,80 0.118,81 0.545,82 11.629,83 4.627,84 34.474,85 5.639,86 0.141,87 0.457,88 9.858,89 3.837,90 38.184,91 4.432,92 0.09,93 0.366,94 7.344,95 3.102,96 24.342,97 3.695,98 0.052,99 0.344,100 6.627,101 3,102 14.244,103 3.961,104 5,105 23,106 0.245,107 0.437,108 0.5,109 0.6,110 0.637,111 0.637,112 2.907,113 0.906,114 -4.38,115 -4.31,116 -4.07,121 51.7,123 1,144 10,145 2,159 2,176 12,180 4,187 14,192 4,200 10,205 1,206 6,214 5,219 6,227 6,232 4,239 8,244 2,251 10,264 8,277 4,281 304,282 11.535,283 11.535,284 11.535,285 11.535,286 11.535,287 9.85,288 4.705,289 7.148,290 11.474,291 8.889,292 8.889,293 8.889,294 8.889,295 8.889,296 6.414,297 3.738,298 3.407,299 8.765,300 3.573,301 2.567,302 2.232,303 1.707,304 1.517,305 1.517,306 3.562,311 1,312 1,313 278,314 2.828,318 119.075,325 1.149,326 19.23,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 36,338 133,339 4.224,340 3.764,341 6.13,342 3.915,343 2.888,344 3.735,345 1.662,346 8.926,347 2.961,348 4.052,349 3.408,350 5.912,351 3.677,352 2.659,353 3.607,354 0.982,355 8.199,356 2.705,357 3.354,358 2.199,359 4.478,360 2.912,361 1.894,362 2.657,364 4.618,365 1.923,366 3.151,367 2.17,368 4,369 2.672,370 1.648,371 2.382,373 3.576,374 1.683,375 2.631,376 1.324,377 3.506,378 2.177,379 1.168,380 1.653,382 2.701,383 1.177,384 2.5,385 1.323,386 3.286,387 2,388 1,389 1.5,391 2.136,392 1,393 2.5,394 1,395 3.247,396 2,397 1,398 1.5,400 2.136,401 1,402 2.467,403 1,404 3.247,405 1.912,406 0.854,407 1.311,409 2.019,410 0.897,411 1,412 0.978,413 2.456,414 0.598,415 -0.476,416 -0.606,418 -1.156,419 -0.498,420 0.749,421 -0.233,422 1.801,423 0.28,424 -0.749,425 -1.08,427 -1.607,428 -0.767,429 0.734,430 -0.603,431 1.555,432 0.278,433 -0.776,434 -1.229,436 -1.644,437 -0.828,438 0.5,439 -0.856,440 1.555,442 -1,443 -1.5,445 -2.347,446 -1,447 0.5,448 -1,449 1.43,451 -1,452 -1.5,454 -2.347,455 -1,456 -0.055,457 -1,458 1,459 -0.405,460 -1.474,461 -2,463 -3.78,464 -1.581,465 -0.443,466 -1.583,467 1,468 -0.679,469 -1.698,470 -2.21,472 -4.789,473 -1.735,474 8.167,475 0.48,476 0.315,477 0.019,478 24.5,479 1.441,480 15,481 0.882,482 9.5,483 0.559,484 8.79,485 0.517,486 17.033,487 0.587,488 15.692,489 0.923,490 5.167,491 0.304,492 3.104,493 0.183,494 0.082,496 0.245,501 0.467,502 0.902,503 0.726,504 0.901,505 0.509,506 0.86,507 0.583,508 1.128,509 0.908,510 1.126,511 0.647,512 1.075,513 1.18,514 1.061,515 1.038,516 1.052,517 1.176,518 1.029,519 1.3,520 1.106,521 1.086,522 1.094,523 1.295,524 1.064,525 1.426,526 0.93,527 0.932,528 0.906,529 1.383,530 0.856,531 1.789,532 0.83,533 1.086,534 0.816,535 1.741,536 0.842,537 1.383,538 0.91,539 1.133,540 0.915,541 1.357,542 0.975,543 0.615,544 1.085,545 1.206,546 1.123,547 0.625,548 1.229,549 2.5,551 1.778,552 0.875,553 0.542,554 0.528,555 0.165,556 0.063,557 0.032,558 0.023,559 2394,560 6758,561 2.028,562 41.4,564 10,568 2,572 1.567,573 1.925,574 3.011,575 -0.865,577 1,578 1,579 1,582 37.259,583 1.285,584 2.291,585 2.626,586 3.151,587 3.341,588 3.341,589 2.44,590 2.676,591 4.063,592 3.083,593 419.306,594 6.857,595 3839.75,597 1,599 1,600 140.881,601 1.261,602 4.03,603 0.139,605 0.077,606 0.04,607 0.03,608 0.033,609 0.012,610 0.005,611 0.004,612 0.006,613 0.346,614 0.67,615 1,616 0.604,617 70.903,619 0.031,620 0.019,621 0.031,622 -0.036,623 0.028,624 0.008,625 -0.192,626 -0.099,627 -0.189,628 -0.053,629 -0.165,630 -0.089,631 -0.1,632 -0.079,633 -0.098,634 -0.083,635 -0.089,636 0.122,637 -0.139,638 -0.069,639 -0.143,640 0.128,641 -0.135,642 -0.079,643 0.048,644 0.12,645 0.064,646 -0.034,647 0.111,648 -0.231,649 0.151,650 -0.036,651 0.146,652 -0.183,653 0.094,654 -0.207,655 0.057,656 -0.17,657 0.041,658 -0.181,659 -0.042,660 -0.092,661 -0.127,662 -0.287,663 -0.149,664 -0.106,665 -0.23,666 1.806,667 4.808,668 0.706,669 9.73,670 0.998,671 1.1,672 3.148,673 9.912,674 0.706,675 2.944,676 3.178,677 3.367,678 3.497,679 3.611,680 3.367,681 3.367,682 3.219,683 3.219,684 3.045,685 4.715,686 0.676,687 224.27,688 2.944,689 4.419,690 5.22,691 6.043,692 6.86,693 7.686,694 8.508,695 9.335,696 10.159,697 10.987,715 10,720 2,722 12,727 2,741 29,743 14,744 2,745 18,747 30,748 15,749 12,750 2,751 10,752 2,756 2,757 2,770 1,772 14,773 1,777 2,782 2,786 2,790 1,793 12,794 2,796 2,808 1,809 2,829 2,859 2,868 17,876 1,893 6.9,896 2,901 8.833,902 5.167,903 3.889,904 1.681,907 2.054,908 1.356,909 0.967,910 3.465,911 7.819,912 3.296,913 3.807,914 4.311,915 4.764,916 5.192,917 4.953,918 5.192,919 5.03,920 5.364,921 5.433,922 1,923 22,924 6.293,926 2.63,927 0.026,929 7.98,931 11.742,933 9.241,936 2.48,937 42.167,938 0.001,941 141.253,942 113.935,945 50.29,948 113.935,949 191.543,952 2.535,953 94.762,954 60.557,955 6.371,957 141.253,959 141.253,960 113.935,961 50.29,964 141.253,965 50.29,968 2.535,969 111.401,972 141.253,973 50.29,974 113.935,977 141.253,978 19.173,979 94.762,981 50.29,982 141.253,983 50.29,984 113.935,986 0.561,987 0.323,988 0.167,989 0.085,990 10,991 4,992 0.133,993 4,995 1,996 3.008,997 109.044,999 12,1000 45.487,1005 11.283,1006 5.221,1007 2.883,1009 50.29,1010 17.745,1015 1.161,1018 305.478,1019 26,1024 23.615,1028 -0.279,1031 28.956,1032 31.91,1034 0.264,1035 0.472,1036 0.541,1037 0.649,1038 0.688,1039 0.688,1040 4.454,1041 0.854,1042 5.153,1043 2.136,1044 3.85,1045 4.489,1046 2.134,1047 5.861,1048 3.884,1049 5.626,1050 -0.476,1051 6.65,1052 2.019,1053 3.219,1054 3.951,1056 6.581,1057 3.311,1058 6.887,1059 -0.749,1060 8.256,1061 -1.156,1062 5.333,1063 6.562,1064 2.897,1065 9.648,1066 5.403,1067 8.185,1068 -0.776,1069 9.927,1070 -1.607,1071 5.565,1072 6.84,1074 11.227,1075 5.699,1076 9.515,1077 -1,1078 11.641,1079 -1.644,1080 7.109,1081 8.894,1082 3.805,1083 13.759,1084 7.224,1085 10.868,1086 -1,1087 13.384,1088 -2.347,1089 7.751,1090 9.579,1092 15.664,1093 7.925,1094 12.238,1095 -1.474,1096 15.144,1097 -2.347,1098 9.032,1099 11.348,1100 4.78,1101 17.993,1102 9.198,1103 2.888,1104 -1.698,1105 16.918,1106 -3.78,1107 9.876,1108 12.262,1110 20.036,1111 10.091,1112 2.659,1113 8.926,1114 18.699,1115 -4.789,1116 11.032,1117 13.864,1118 5.781,1119 22.28,1120 11.25,1121 1.894,1122 8.199,1123 20.486,1124 3.735,1125 11.976,1126 14.917,1128 24.387,1129 12.235,1130 1.648,1131 4.618,1132 22.277,1133 3.607,1134 13.072,1135 16.416,1136 6.792,1137 26.593,1138 13.343,1139 1.168,1140 3.576,1141 24.071,1142 2.657,1143 14.067,1144 17.557,1146 28.732,1147 14.372,1148 1,1149 2.701,1150 25.866,1151 2.382,1152 15.136,1153 18.99,1154 7.806,1155 30.92,1156 15.458,1157 1,1158 2.136,1159 27.663,1160 1.653,1161 16.156,1162 20.188,1164 33.076,1165 16.509,1166 2410,1167 4118,1168 12.019,1169 20.477,1170 26.648,1171 28.173,1172 26.725,1173 26.175,1174 26.219,1175 36.689,1176 5.288,1177 68.621,1178 26.695,1179 5.089,1180 5.764,1181 5.932,1182 4.915,1183 4.888,1184 6.735,1185 3.324,1186 15.333,1187 4.961,1188 6.416,1189 1.48,1190 1.565,1191 1.485,1192 1.454,1193 1.457,1194 2.038,1195 0.294,1196 3.812,1197 1.483,1198 3.969,1199 3.989,1200 3.91,1201 3.899,1202 7.442,1203 3.898,1204 3.874,1205 3.901,1206 3.808,1207 3.818,1208 7.411,1209 3.812,1210 3.495,1211 3.52,1212 3.409,1213 3.346,1214 4.738,1215 3.356,1216 3.056,1217 3.061,1218 3.005,1219 2.893,1220 4.713,1221 2.91,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.693,1227 2.715,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 2.665,1235 2.741,1236 2.497,1237 2.537,1238 3.674,1239 2.518,1240 2.435,1241 2.452,1242 2.324,1243 2.109,1244 3.56,1245 2.167,1246 0.235,1247 0.209,1248 0.341,1249 0.217,1250 0.16,1251 4.224,1252 0.207,1253 3.764,1254 0.092,1255 6.13,1256 0.496,1257 3.915,1258 0.165,1259 2.888,1260 3.735,1261 1.662,1262 8.926,1263 2.961,1264 1.937,1265 1.916,1266 2.048,1267 2.027,1268 1.141,1269 2.034,1270 1.882,1271 1.856,1272 2.004,1273 1.961,1274 1.062,1275 1.977,1276 1.451,1277 1.423,1278 1.636,1279 1.632,1280 0.787,1281 1.632,1282 0.981,1283 0.963,1284 1.181,1285 1.176,1286 0.218,1287 1.153,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.886,1295 0.821,1296 1.15,1297 1.062,1298 0.213,1299 1.107,1300 0.697,1301 0.627,1302 1.015,1303 0.888,1304 0.123,1305 0.936,1306 0.27,1307 0.258,1308 0.486,1309 0.653,1311 0.606,1312 3.611,1314 4.86,1316 6.315,1318 7.851,1320 9.424,1328 -0.075,1340 19.59,1341 37.259,1342 66.443,1343 76.152,1344 91.372,1345 96.881,1346 96.881,1347 31.632,1348 5.765,1349 34.14,1350 34.14,1351 12,1352 11.562,1353 3.907,1354 3.17,1355 28.48,1356 48,1357 39,1358 0.296,1359 124.442,1360 218,1361 295.399,1362 1908,1364 12.088,1365 0.711,1366 0.547,1367 12.088,1368 9.297,1369 8.271,1370 0.459,1371 0.302,1372 5.409,1373 8.136,1374 5.274,1375 4.4,1376 8.271,1377 5.437,1378 6.986,1379 0.304,1380 0.163,1381 6.986,1382 3.755,1383 5.653,1384 0.202,1385 0.09,1386 5.653,1387 2.513,1388 4.378,1389 0.137,1390 0.05,1391 4.378,1392 1.598,1393 3.242,1394 0.09,1395 0.028,1396 3.242,1397 1.014,1398 0.458,1399 50.78,1400 0.288,1401 17.328,1402 0.826,1403 82,1404 253.471,1405 86.207,1406 248.163,1407 326.36,1408 230,1409 92,1410 223.273,1411 95.987,1412 229.102,1413 326.8,1414 216,1415 4}
{0 CHEMBL371651,1 1.778,2 6.105,3 2.458,4 6.043,5 70.372,6 11.177,7 0.524,8 3.532,9 3.588,10 3.439,11 3.09,12 4.751,13 3.111,14 4.063,15 4.161,16 3.934,17 3.467,18 5.318,19 3.492,20 4.126,21 4.19,22 4.123,23 3.663,24 5.425,25 3.666,26 4.281,27 4.354,28 4.353,29 3.688,30 5.609,31 3.689,32 4.342,33 4.467,34 4.218,35 3.567,36 5.604,37 3.53,38 4.181,39 4.367,40 3.532,41 3.307,42 5.325,43 3.137,44 3.857,45 4.14,46 2.446,47 2.771,48 4.859,49 2.525,50 3.057,51 3.349,52 1.279,53 1.828,54 4.159,55 1.637,56 0.137,57 0.369,58 1.264,59 2.643,60 6.384,61 2.446,62 0.532,63 0.592,64 15.262,65 4.901,66 33.225,67 4.029,68 0.406,69 0.662,70 4.116,71 4.975,72 26.408,73 4.556,74 0.526,75 0.725,76 9.629,77 6.335,78 30.158,79 5.226,80 0.738,81 0.749,82 13.623,83 6.691,84 40.496,85 5.58,86 0.656,87 0.62,88 35.736,89 7.253,90 47.916,91 6.976,92 0.49,93 0.473,94 33.839,95 5.389,96 36.305,97 6.281,98 0.206,99 0.219,100 6.357,101 1.821,102 23.853,103 2.173,104 21,105 31,106 0.34,107 0.684,108 0.787,109 0.814,110 0.827,111 0.866,112 3.014,113 0.925,114 -2.93,115 -2.94,116 -2.84,118 1,121 44.8,126 2,130 1,144 2,145 3,146 2,147 1,148 1,160 1,176 4,179 1,180 6,187 5,191 3,192 8,200 3,205 1,206 9,214 1,218 2,219 7,227 2,231 2,243 1,281 333,282 12.947,283 12.947,284 12.947,285 12.947,286 12.947,287 11.6,288 12.394,289 7.318,290 13.601,291 10.215,292 10.215,293 10.215,294 10.215,295 10.215,296 7.902,297 12.922,298 3.233,299 11.11,300 3.08,301 1.281,302 0.742,303 0.604,304 0.535,305 0.328,306 3.688,311 1,312 1,313 246,314 2.449,318 96.299,322 165.569,324 69.27,325 0.87,326 23.924,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 42.25,338 116,339 4.77,340 3.861,341 7.138,342 4.349,343 3.383,344 4.696,345 2.168,346 12.47,347 3.27,348 4.092,349 3.415,350 6.319,351 3.699,352 2.746,353 3.604,354 1.345,355 9.422,356 2.605,357 3.778,358 3.009,359 5.711,360 3.366,361 2.445,362 3.198,363 0.86,364 7.622,365 2.262,366 3.46,367 2.72,368 5.601,369 3.088,370 2.143,371 2.709,372 0.86,373 6.963,374 1.985,375 3.027,376 2.239,377 4.842,378 2.597,379 1.728,380 2.144,382 5.117,383 1.432,384 2.826,385 1.754,386 4.106,387 2.306,388 1.365,389 1.954,391 3.128,392 1.267,393 2.449,394 1.56,395 3.838,396 2.067,397 1.189,398 1.402,400 2.894,401 0.998,402 1.803,403 1.11,404 3.27,405 1.379,406 0.491,407 0.615,409 1.01,410 0.394,411 1.535,412 0.978,413 3.037,414 1.24,415 0.389,416 0.428,418 0.56,419 0.325,420 1.069,421 0.822,422 2.617,423 0.62,424 -0.337,425 -0.436,427 -0.73,428 -0.25,429 0.95,430 0.178,431 2.439,432 0.541,433 -0.376,434 -0.454,436 -0.929,437 -0.335,438 0.744,439 -0.131,440 2.323,441 0.354,442 -0.505,443 -0.615,445 -1.18,446 -0.397,447 0.623,448 -0.385,449 2.208,450 0.101,451 -0.793,452 -1.043,454 -2.011,455 -0.649,456 0.123,457 -0.546,458 1.763,459 -0.282,460 -1.163,461 -1.47,463 -2.939,464 -1.047,465 -0.245,466 -0.89,467 1.632,468 -0.603,469 -1.489,470 -1.779,472 -3.945,473 -1.235,474 9.567,475 0.504,476 0.504,477 0.027,478 25.25,479 1.329,480 12.5,481 0.658,482 12.75,483 0.671,484 15.174,485 0.799,486 19.833,487 0.684,488 16.195,489 0.852,490 4.846,491 0.255,492 4.322,493 0.227,494 0.279,496 0.418,501 0.815,502 1.251,503 0.457,504 0.872,505 0.631,506 0.817,507 1.148,508 0.721,509 0.803,510 0.687,511 0.738,512 0.561,513 0.736,514 0.975,515 0.695,516 0.776,517 0.718,518 0.747,519 0.962,520 1.286,521 0.951,522 1.16,523 0.995,524 1.026,525 1.232,526 1.085,527 0.974,528 1.034,529 0.987,530 1.088,531 1.069,532 1.061,533 1.783,534 1.422,535 1.029,536 1.457,537 0.717,538 0.791,539 1.453,540 1.163,541 0.673,542 1.199,543 1.052,544 0.781,545 0.244,546 0.638,547 2.369,548 1.068,549 3.5,551 2.444,552 2.063,553 2.124,554 0.813,555 0.383,556 0.115,559 2549,560 9699,561 2.05,562 34.5,564 8,565 1,566 1,572 1.616,573 1.869,574 2.624,575 -0.672,577 1,579 1,582 51.556,583 1.778,584 3.577,585 4.116,586 4.254,587 4.323,588 4.53,589 2.104,590 4.143,591 4.223,592 2.665,593 455.67,594 7.256,595 4310.03,596 1,597 1,599 1,600 140.881,601 1.529,602 4.153,603 0.167,605 0.079,606 0.056,607 0.059,608 0.03,609 0.029,610 0.023,613 0.443,614 0.67,615 1,616 1.039,617 78.248,618 -0.076,619 -0.222,620 0.002,621 -0.108,622 -0.074,623 -0.041,624 -0.102,625 0.283,626 -0.004,627 0.212,628 0.001,629 0.305,630 0.096,631 0.068,632 0.015,633 0.073,634 0.04,635 0.053,636 0.026,637 -0.323,638 0.051,639 -0.203,640 -0.013,641 -0.167,642 -0.097,643 -0.128,644 0.031,645 -0.063,646 -0.052,647 -0.161,648 -0.08,649 -0.18,650 -0.256,651 -0.244,652 -0.046,653 -0.334,654 0.089,655 0.122,656 -0.162,657 -0.043,658 0.164,659 0.078,660 -0.152,661 0.211,662 0.082,663 0.144,664 -0.363,665 0.087,666 2.118,667 4.85,668 0.684,669 9.712,670 1.036,671 1.112,672 1.703,673 2.901,674 0.724,675 3.091,676 3.466,677 3.85,678 4.22,679 4.533,680 4.635,681 4.745,682 4.771,683 4.828,684 4.625,685 3.828,686 0.708,687 324.14,688 3.091,689 4.654,690 5.557,691 6.488,692 7.414,693 8.351,694 9.283,695 10.22,696 11.154,697 12.091,698 3.4,708 1,714 2,715 3,716 1,720 4,722 11,732 1,739 2,741 29,743 12,744 1,745 21,746 1,747 31,748 13,749 9,750 5,751 1,752 1,756 3,757 7,772 10,773 3,775 1,777 1,782 1,786 1,790 1,793 10,794 5,796 6,797 1,802 1,808 0.333,809 4,822 1,829 3,833 3,835 1,859 1,863 1,864 2,868 19,878 3,880 1,892 1,893 13.8,896 1,898 3,901 10.167,902 6.093,903 4.278,904 1.539,907 2.5,908 1.361,909 0.977,910 3.109,911 9.423,912 3.35,913 4.016,914 4.73,915 5.422,916 6.071,917 6.462,918 6.876,919 7.193,920 7.546,921 7.549,922 1,923 37,924 7.001,926 3.024,927 0.026,929 7.934,931 12.986,933 10.545,936 2.434,937 46.25,938 0.001,941 117.711,942 78.532,943 62.74,945 58.145,948 124.487,949 175.856,950 16.786,951 21.766,953 18.952,954 60.893,955 63.622,956 11.771,957 140.123,959 117.711,960 95.318,961 58.145,963 45.954,964 117.711,965 58.145,968 11.804,969 66.728,970 16.786,971 45.954,972 117.711,973 74.93,974 124.487,977 117.711,978 28.766,979 49.766,980 45.954,981 74.93,982 117.711,983 74.93,984 124.487,986 0.584,987 0.382,988 0.234,989 0.136,990 17,991 8,992 0.065,993 2,994 3,995 1.385,996 2.906,997 154.209,998 0.462,999 12,1000 80.711,1005 12.696,1006 4.653,1007 1.799,1008 1.594,1009 74.93,1010 5.215,1011 4.092,1015 2.145,1018 317.128,1019 27.5,1024 11.85,1028 -0.452,1031 30.058,1032 32.254,1034 0.366,1035 0.736,1036 0.847,1037 0.876,1038 0.89,1039 0.932,1040 4.613,1041 0.491,1042 5.58,1043 2.894,1044 4.143,1045 4.7,1046 2.727,1047 6.506,1048 4.005,1049 5.855,1050 0.389,1051 7.21,1052 1.01,1053 3.892,1054 4.732,1055 1.823,1056 7.633,1057 3.718,1058 7.208,1059 -0.337,1060 8.942,1061 0.56,1062 5.838,1063 7.039,1064 3.709,1065 10.813,1066 5.627,1067 8.601,1068 -0.376,1069 10.733,1070 -0.73,1071 6.399,1072 7.896,1073 3.472,1074 12.758,1075 6.162,1076 10.028,1077 -0.505,1078 12.561,1079 -0.929,1080 7.85,1081 9.719,1082 5.007,1083 15.485,1084 7.584,1085 11.48,1086 -0.793,1087 14.414,1088 -1.18,1089 8.777,1090 10.954,1091 5.123,1092 17.771,1093 8.485,1094 12.951,1095 -1.163,1096 16.287,1097 -2.011,1098 10.054,1099 12.598,1100 6.428,1101 20.353,1102 9.736,1103 3.383,1104 -1.489,1105 18.174,1106 -2.939,1107 11.143,1108 14.005,1109 6.755,1110 22.779,1111 10.797,1112 2.746,1113 12.47,1114 20.072,1115 -3.945,1116 12.365,1117 15.583,1118 7.9,1119 25.316,1120 11.992,1121 2.445,1122 9.422,1123 21.981,1124 4.696,1125 13.523,1126 17.067,1127 8.365,1128 27.799,1129 13.12,1130 2.143,1131 7.622,1132 23.898,1133 3.604,1134 14.732,1135 18.621,1136 9.398,1137 30.323,1138 14.3,1139 1.728,1140 6.963,1141 25.821,1142 3.198,1143 15.92,1144 20.139,1145 9.957,1146 32.828,1147 15.458,1148 1.365,1149 5.117,1150 27.751,1151 2.709,1152 17.128,1153 21.686,1154 10.912,1155 35.349,1156 16.636,1157 1.189,1158 3.128,1159 29.685,1160 2.144,1161 18.33,1162 23.219,1163 11.535,1164 37.865,1165 17.807,1166 2602,1167 5164,1168 13.641,1169 20.983,1170 31.909,1171 33.68,1172 34.58,1173 31.807,1174 31.757,1175 41.498,1176 10.466,1177 98.371,1178 29.076,1179 5.677,1180 5.861,1181 6.68,1182 5.441,1183 5.383,1184 7.696,1185 3.981,1186 20.094,1187 5.27,1188 10.011,1189 1.519,1190 1.604,1191 1.647,1192 1.515,1193 1.512,1194 1.976,1195 0.498,1196 4.684,1197 1.385,1198 4.119,1199 4.128,1200 6.88,1201 4.052,1202 7.433,1203 4.059,1204 3.539,1205 3.557,1206 4.075,1207 3.362,1208 5.014,1209 3.377,1210 3.441,1211 3.443,1212 3.495,1213 3.294,1214 4.71,1215 3.298,1216 3.225,1217 3.291,1218 3.297,1219 2.915,1220 4.511,1221 2.922,1222 3.119,1223 3.191,1224 3.028,1225 2.887,1226 4.394,1227 2.88,1228 2.86,1229 2.881,1230 2.903,1231 2.769,1232 4.039,1233 2.715,1234 2.629,1235 2.65,1236 2.636,1237 2.448,1238 3.588,1239 2.464,1240 2.511,1241 2.552,1242 2.396,1243 2.37,1244 3.36,1245 2.368,1246 0.227,1247 0.184,1248 0.34,1249 0.207,1250 0.161,1251 4.77,1252 0.224,1253 3.861,1254 0.103,1255 7.138,1256 0.594,1257 4.349,1258 0.156,1259 3.383,1260 4.696,1261 2.168,1262 12.47,1263 3.27,1264 2.064,1265 2.056,1266 2.1,1267 2.148,1268 1.307,1269 2.135,1270 1.442,1271 1.417,1272 1.634,1273 1.681,1274 0.672,1275 1.657,1276 1.337,1277 1.333,1278 1.577,1279 1.557,1280 0.608,1281 1.555,1282 1.168,1283 1.089,1284 1.429,1285 1.486,1286 0.566,1287 1.481,1288 1.088,1289 1.008,1290 1.338,1291 1.337,1292 0.406,1293 1.355,1294 0.791,1295 0.767,1296 0.913,1297 0.978,1298 0.117,1299 0.984,1300 0.515,1301 0.506,1302 0.683,1303 0.762,1305 0.747,1306 0.476,1307 0.437,1308 0.627,1309 0.654,1311 0.648,1312 3.761,1314 5.118,1316 6.713,1318 8.427,1320 10.204,1321 3.34,1322 3.114,1330 15.931,1332 -0.579,1340 20.54,1341 51.556,1342 103.72,1343 119.372,1344 123.372,1345 125.372,1346 131.372,1347 28.791,1348 6.923,1349 57.65,1350 57.65,1351 18,1352 12.589,1353 3.7,1354 2.907,1355 27.379,1356 45,1357 42,1358 0.334,1359 130.419,1360 224.18,1361 309.983,1362 7547,1363 3.4,1364 13.569,1365 0.714,1366 0.624,1367 14.569,1368 11.854,1369 9.168,1370 0.437,1371 0.308,1372 5.469,1373 8.117,1374 5.253,1375 4.333,1376 9.746,1377 6.472,1378 8.176,1379 0.264,1380 0.156,1381 8.918,1382 4.836,1383 7.428,1384 0.161,1385 0.081,1386 8.049,1387 3.707,1388 6.847,1389 0.102,1390 0.043,1391 7.688,1392 2.882,1393 5.918,1394 0.064,1395 0.023,1396 6.685,1397 2.148,1398 0.477,1399 67.46,1400 0.271,1401 17.895,1402 1.082,1403 104,1404 389.242,1405 187.636,1406 392.05,1407 520.66,1408 368,1409 129,1410 348.856,1411 177.428,1412 360.545,1413 542.97,1414 335,1415 4.337}
{0 CHEMBL371787,1 1.463,2 10.385,3 3.559,4 12.664,5 100.052,6 7.049,7 0.414,8 4.011,9 4.124,10 3.542,11 3.538,12 5.038,13 3.515,14 4.588,15 4.758,16 3.92,17 3.955,18 5.604,19 3.909,20 4.866,21 5.068,22 3.984,23 4.121,24 5.775,25 4.039,26 4.963,27 5.192,28 3.95,29 4.084,30 5.906,31 3.996,32 4.89,33 5.112,34 3.821,35 3.963,36 5.951,37 3.873,38 4.731,39 4.967,40 3.648,41 3.779,42 5.735,43 3.694,44 4.528,45 4.739,46 3.478,47 3.618,48 5.596,49 3.548,50 4.388,51 4.599,52 3.463,53 3.618,54 5.381,55 3.536,56 0.016,57 0.7,58 11.046,59 4.844,60 7.787,61 6.359,62 0.353,63 1.17,64 21.475,65 8.034,66 33.731,67 10.963,68 0.311,69 1.462,70 29.089,71 10.913,72 34.642,73 14.978,74 0.364,75 1.515,76 33.36,77 11.562,78 43.604,79 15.959,80 0.608,81 1.354,82 31.742,83 10.45,84 68.063,85 14.148,86 0.317,87 1.141,88 27.032,89 8.986,90 47.534,91 12.212,92 0.47,93 0.934,94 22.299,95 7.034,96 51.343,97 9.145,98 0.185,99 0.879,100 18.289,101 6.7,102 27.295,103 9.112,104 10,105 41,106 0.248,107 0.574,108 0.772,109 0.846,110 0.876,111 0.876,112 3.304,113 0.944,114 -3.86,115 -3.82,116 -3.62,121 42,122 1,123 1,124 1,126 1,127 2,129 2,144 8,145 2,146 2,161 1,176 10,179 1,180 6,183 2,185 2,187 10,191 1,192 6,197 2,200 8,205 1,206 8,211 3,214 4,218 2,219 8,222 1,224 3,227 3,232 6,237 1,239 3,243 1,244 5,247 1,249 1,251 6,256 3,261 1,264 8,269 4,277 9,281 980,282 17.706,283 17.706,284 17.706,285 17.706,286 17.706,287 16.098,288 23.223,289 10.428,290 18.083,291 14.32,292 14.32,293 14.32,294 14.32,295 14.32,296 11.892,297 32.658,298 4.935,299 14.918,300 4.181,301 2.252,302 1.085,303 0.645,304 0.47,305 0.47,306 4.002,310 1,311 1,312 1,313 597,314 3.391,317 50.49,318 192.429,321 83.732,322 93.229,325 1.538,326 21.789,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 56,338 270,339 4.496,340 3.713,341 6.945,342 4.241,343 3.277,344 4.082,345 2.187,346 11.722,347 3.158,348 4.071,349 3.543,350 6.24,351 3.807,352 2.839,353 3.544,354 0.916,355 9.25,356 2.76,357 3.936,358 3.046,359 6.04,360 3.696,361 2.74,362 3.103,363 0.86,364 8.634,365 2.602,366 3.588,367 2.952,368 5.279,369 3.217,370 2.257,371 2.777,372 0.599,373 6.491,374 2.143,375 3.163,376 2.263,377 4.998,378 2.886,379 1.931,380 2.335,381 0.232,382 5.644,383 1.845,384 3.043,385 2.167,386 4.847,387 2.786,388 1.837,389 2.2,390 0.172,391 5.176,392 1.73,393 2.972,394 1.858,395 4.275,396 2.634,397 1.645,398 2.106,400 3.897,401 1.618,402 2.81,403 1.801,404 4.072,405 2.446,406 1.485,407 1.844,409 3.603,410 1.422,411 2.5,412 1.323,413 3.762,414 2.022,415 1.064,416 1.5,418 2.643,419 1.014,420 2.339,421 1.188,422 3.431,423 2,424 1,425 1.291,427 2.356,428 1,429 2.12,430 1,431 3.3,432 1.929,433 0.958,434 1.085,436 2.136,437 0.923,438 1.849,439 0.98,440 3.247,441 1.713,442 0.777,443 0.819,445 1.818,446 0.721,447 1.255,448 0.721,449 2.85,450 0.922,451 0.004,452 0.004,454 0.01,455 0.003,456 0.839,457 0.231,458 2.518,459 0.533,460 -0.413,461 -0.442,463 -1.008,464 -0.387,465 0.776,466 -0.076,467 2.395,468 0.503,469 -0.473,470 -0.535,472 -1.188,473 -0.446,474 12.3,475 0.473,476 0.627,477 0.024,478 31.5,479 1.212,480 14.5,481 0.558,482 17,483 0.654,484 22.507,485 0.866,486 28.5,487 0.57,488 22.807,489 0.877,490 6.133,491 0.236,492 6.498,493 0.25,494 0.108,496 0.358,501 0.804,502 1.334,503 0.816,504 1.156,505 0.623,506 1.009,507 0.837,508 1.024,509 0.909,510 0.96,511 0.512,512 0.938,513 0.924,514 1.145,515 0.994,516 1.114,517 0.727,518 1.067,519 1.182,520 1.08,521 0.98,522 1.046,523 0.947,524 0.992,525 1.448,526 0.979,527 1.114,528 0.981,529 1.525,530 1,531 1.483,532 1.013,533 1.009,534 0.987,535 1.594,536 0.938,537 1.996,538 0.757,539 1.247,540 0.8,541 2.324,542 0.901,543 1.183,544 1.041,545 0.992,546 0.987,547 1.368,548 0.967,549 4.5,550 0.128,551 3.111,552 2.097,553 1.369,554 0.792,555 0.465,556 0.386,557 0.186,558 0.148,559 8296,560 18425,561 2.124,562 48,564 17,567 1,569 5,570 1,572 1.69,573 2,574 3.343,575 -0.37,577 1,582 73.16,583 1.463,584 3.392,585 4.559,586 4.999,587 5.174,588 5.174,589 2.749,590 4.47,591 4.675,592 3.513,593 1141.73,594 8.092,595 14169,597 1,599 1,600 282.193,601 1.37,602 4.637,603 0.155,604 0.007,605 0.076,606 0.05,607 0.035,608 0.024,609 0.017,610 0.016,611 0.007,612 0.007,613 0.394,614 0.5,615 1,616 0.54,617 127.017,618 -0.014,619 -0.149,620 0.072,621 -0.065,622 -0.028,623 0.004,624 0.167,625 0.103,626 0.041,627 0.051,628 0.176,629 0.033,630 0.036,631 -0.109,632 -0.035,633 -0.11,634 0.007,635 -0.085,636 -0.028,637 -0.106,638 0.023,639 -0.081,640 0.022,641 -0.03,642 0.005,643 -0.027,644 -0.073,645 -0.034,647 -0.064,648 -0.116,649 -0.086,650 0.028,651 -0.038,652 -0.063,653 0.009,654 -0.253,655 0.206,656 -0.173,657 0.131,658 -0.292,659 0.007,660 -0.113,661 -0.04,662 -0.013,663 0.008,664 -0.059,665 0.011,666 2.139,667 5.375,668 0.731,669 21.361,670 0.998,671 1.124,672 2.628,673 6.905,674 0.655,675 3.401,676 3.738,677 4.043,678 4.344,679 4.543,680 4.595,681 4.745,682 4.89,683 4.913,684 4.898,685 6.236,686 0.62,687 352.47,688 3.401,689 4.949,690 5.814,691 6.706,692 7.588,693 8.486,694 9.377,695 10.278,696 11.174,697 12.078,698 4,701 1,705 1,715 8,720 4,722 12,737 1,739 1,741 50,743 13,744 2,745 29,747 53,748 21,749 12,750 4,751 8,756 4,757 7,763 1,767 2,768 1,770 3,772 13,773 8,774 1,777 1,782 1,786 1,789 1,790 1,793 24,794 5,795 1,796 5,802 2,808 0.5,809 3,825 1,828 1,829 3,832 1,833 1,855 1,859 2,864 2,868 26,876 3,877 1,878 2,880 3,881 1,893 6,896 1,898 2,901 13,902 9.367,903 5.667,904 3.082,907 2.146,908 1.283,909 0.968,910 4.876,911 9.718,912 3.611,913 4.143,914 4.649,915 5.173,916 5.636,917 5.711,918 5.993,919 6.265,920 6.422,921 6.501,922 0.857,923 42,924 9.664,926 4.154,927 0.026,929 7.628,931 18.778,933 15.874,936 2.128,937 55.333,939 1,940 1,941 270.735,942 125.885,943 21.135,945 47.145,948 125.885,949 317.88,950 21.135,951 17.222,952 27.243,953 75.81,954 25.145,955 41.982,956 6.763,957 270.735,959 270.735,960 147.02,961 47.145,964 200.109,965 117.771,968 39.193,969 107.827,972 270.735,973 68.28,974 125.885,977 270.735,978 32.853,979 96.156,980 18.011,981 47.145,982 270.735,983 68.28,984 125.885,986 0.583,987 0.349,988 0.198,989 0.103,990 21,991 9,992 0.075,993 4,994 2,995 1.211,996 3.811,997 223.841,998 0.211,999 19,1000 118.211,1005 17.379,1006 7.295,1007 3.472,1009 68.28,1010 15.619,1015 3.331,1017 18.011,1018 464.9,1019 36,1024 12.375,1028 -0.472,1031 49.905,1032 56.192,1034 0.259,1035 0.601,1036 0.808,1037 0.886,1038 0.917,1039 0.917,1040 4.868,1041 1.485,1042 5.802,1043 3.897,1044 4.419,1045 4.828,1046 2.57,1047 6.64,1048 4.338,1049 6.039,1050 1.064,1051 7.375,1052 3.603,1053 4.007,1054 4.511,1055 1.847,1056 7.603,1057 3.891,1058 7.329,1059 1,1060 9.051,1061 2.643,1062 6.028,1063 6.881,1064 3.56,1065 10.747,1066 5.87,1067 8.651,1068 0.958,1069 10.792,1070 2.356,1071 6.463,1072 7.377,1073 3.603,1074 12.587,1075 6.267,1076 10.007,1077 0.777,1078 12.574,1079 2.136,1080 7.948,1081 9.246,1082 4.92,1083 15.25,1084 7.718,1085 11.388,1086 0.004,1087 14.385,1088 1.818,1089 8.777,1090 10.142,1091 5.294,1092 17.446,1093 8.508,1094 12.788,1095 -0.413,1096 16.219,1097 0.01,1098 10.052,1099 11.787,1100 6.392,1101 19.957,1102 9.751,1103 3.277,1104 -0.473,1105 18.069,1106 -1.008,1107 11.063,1108 12.898,1109 6.934,1110 22.3,1111 10.723,1112 2.839,1113 11.722,1114 19.932,1115 -1.188,1116 12.259,1117 14.428,1118 7.906,1119 24.765,1120 11.887,1121 2.74,1122 9.25,1123 21.805,1124 4.082,1125 13.353,1126 15.66,1127 8.544,1128 27.171,1129 12.942,1130 2.257,1131 8.634,1132 23.687,1133 3.544,1134 14.523,1135 17.129,1136 9.44,1137 29.625,1138 14.079,1139 1.931,1140 6.491,1141 25.577,1142 3.103,1143 15.656,1144 18.431,1145 10.136,1146 32.059,1147 15.174,1148 1.837,1149 5.644,1150 27.472,1151 2.777,1152 16.822,1153 19.868,1154 10.987,1155 34.512,1156 16.305,1157 1.645,1158 5.176,1159 29.372,1160 2.335,1161 17.974,1162 21.211,1163 11.717,1164 36.959,1165 17.42,1166 7800,1167 11761,1168 19.592,1169 32.75,1170 44.011,1171 44.861,1172 45.054,1173 43.664,1174 43.626,1175 53.38,1176 9.934,1177 126.756,1178 41.879,1179 5.457,1180 5.713,1181 6.747,1182 5.349,1183 5.277,1184 7.082,1185 3.89,1186 19.209,1187 5.158,1188 11.005,1189 1.518,1190 1.547,1191 1.554,1192 1.506,1193 1.504,1194 1.841,1195 0.343,1196 4.371,1197 1.444,1198 4.046,1199 4.075,1200 3.987,1201 3.941,1202 7.435,1203 3.947,1204 3.925,1205 3.96,1206 3.852,1207 3.859,1208 4.901,1209 3.853,1210 3.723,1211 3.765,1212 3.632,1213 3.595,1214 4.756,1215 3.594,1216 3.525,1217 3.581,1218 3.434,1219 3.321,1220 4.425,1221 3.332,1222 3.279,1223 3.357,1224 3.115,1225 3.036,1226 4.247,1227 3.041,1228 3.207,1229 3.234,1230 3.083,1231 2.937,1232 4.216,1233 2.979,1234 3.039,1235 3.127,1236 2.824,1237 2.848,1238 4.045,1239 2.832,1240 2.862,1241 2.925,1242 2.729,1243 2.735,1244 3.674,1245 2.715,1246 0.155,1247 0.128,1248 0.239,1249 0.146,1250 0.113,1251 4.496,1252 0.141,1253 3.713,1254 0.075,1255 6.945,1256 0.404,1257 4.241,1258 0.109,1259 3.277,1260 4.082,1261 2.187,1262 11.722,1263 3.158,1264 1.939,1265 1.922,1266 2.053,1267 2.055,1268 1.359,1269 2.048,1270 1.92,1271 1.89,1272 2.034,1273 2.011,1274 1.193,1275 2.025,1276 1.603,1277 1.549,1278 1.843,1279 1.789,1280 1.122,1281 1.811,1282 1.496,1283 1.429,1284 1.735,1285 1.737,1286 0.889,1287 1.73,1288 1.462,1289 1.391,1290 1.714,1291 1.665,1292 0.832,1293 1.685,1294 1.072,1295 1.053,1296 1.415,1297 1.4,1298 0.565,1299 1.366,1300 1.015,1301 0.925,1302 1.265,1303 1.303,1304 0.395,1305 1.342,1306 0.886,1307 0.821,1308 1.181,1309 1.101,1310 0.254,1311 1.125,1312 4.078,1314 5.407,1315 2.398,1316 6.938,1317 4.727,1318 8.565,1319 6.823,1320 10.247,1322 4.077,1328 2.878,1329 2.879,1330 11.571,1332 0.72,1333 2.355,1340 30.982,1341 73.16,1342 169.589,1343 227.928,1344 249.928,1345 258.683,1346 258.683,1347 40.609,1348 7.572,1349 50.8,1350 50.8,1351 23,1352 12.599,1353 3.807,1354 3,1355 38.129,1356 97,1357 98,1358 0.191,1359 187.722,1360 330.51,1361 449.801,1362 20819,1364 18.096,1365 0.696,1366 0.582,1367 18.096,1368 15.144,1369 12.631,1370 0.436,1371 0.315,1372 8.997,1373 12.15,1374 8.753,1375 7.251,1376 12.631,1377 9.125,1378 11.44,1379 0.279,1380 0.174,1381 11.44,1382 7.126,1383 9.761,1384 0.174,1385 0.096,1386 9.761,1387 5.38,1388 8.599,1389 0.113,1390 0.053,1391 8.599,1392 4.014,1393 6.741,1394 0.072,1395 0.028,1396 6.741,1397 2.63,1398 0.299,1399 79.156,1400 0.226,1401 25.068,1402 0.523,1403 140,1404 383.185,1405 154.431,1406 362.952,1407 500.86,1408 342,1409 167,1410 372.448,1411 181.74,1412 374.155,1413 553.07,1414 352,1415 5.728}
{0 CHEMBL371858,1 1.285,2 7.647,3 3.606,4 13.005,5 67.114,6 7.733,7 0.667,8 3.433,9 3.524,10 3.029,11 3.113,12 4.644,13 3.072,14 3.887,15 4.018,16 3.336,17 3.442,18 5.079,19 3.388,20 4.116,21 4.272,22 3.412,23 3.503,24 5.528,25 3.438,26 4.124,27 4.32,28 3.231,29 3.317,30 5.464,31 3.254,32 3.915,33 4.095,34 3.09,35 3.097,36 5.335,37 3.075,38 3.619,39 3.744,40 2.885,41 3.012,42 4.987,43 2.96,44 3.656,45 3.851,46 2.602,47 2.962,48 4.785,49 2.834,50 3.522,51 3.775,52 2.177,53 2.718,54 4.443,55 2.534,56 0.002,57 0.312,58 4.911,59 2.677,60 3.854,61 3.315,62 0.013,63 0.506,64 8.643,65 4.349,66 9.958,67 5.474,68 0.133,69 0.641,70 11.96,71 5.48,72 40.006,73 6.899,74 0.119,75 0.652,76 13.641,77 5.531,78 35.954,79 6.706,80 0.185,81 0.514,82 11.474,83 4.255,84 50.191,85 4.667,86 0.096,87 0.374,88 7.246,89 3.111,90 27.301,91 3.417,92 0.09,93 0.41,94 8.168,95 3.515,96 24.278,97 4.379,98 0.083,99 0.37,100 7.813,101 3.237,102 21.885,103 4.312,104 10,105 24,106 0.245,107 0.48,108 0.571,109 0.706,110 0.763,111 0.776,112 2.908,113 0.898,114 -4.38,115 -4.31,116 -4.07,121 51.7,122 1,144 9,145 3,159 2,176 13,180 2,187 14,191 1,192 6,200 9,206 8,214 5,219 6,227 8,232 3,239 10,244 1,251 9,264 6,277 3,281 311,282 11.328,283 11.328,284 11.328,285 11.328,286 11.328,287 9.68,288 4.173,289 6.782,290 11.281,291 8.835,292 8.835,293 8.835,294 8.835,295 8.835,296 6.364,297 2.06,298 3.21,299 8.722,300 3.573,301 2.338,302 1.863,303 1.156,304 0.854,305 0.785,306 3.558,311 1,312 1,313 270,314 2.739,318 116.362,325 1.197,326 19.575,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 36,338 130,339 4.388,340 3.836,341 6.526,342 4.074,343 3.04,344 3.93,346 10.025,347 3.138,348 3.982,349 2.989,350 5.712,351 3.571,352 2.565,353 3.573,355 7.619,356 2.58,357 3.627,358 2.573,359 5.029,360 3.231,361 2.221,362 3.032,364 5.991,365 2.241,366 3.183,367 2.161,368 4.504,369 2.731,370 1.712,371 2.431,373 4.285,374 1.74,375 2.722,376 1.873,377 3.643,378 2.237,379 1.213,380 1.768,382 2.844,383 1.238,384 2.5,385 1.323,386 3.414,387 2,388 1,389 1.5,391 2.275,392 1,393 2.5,394 1,395 3.247,396 2,397 1,398 1.5,400 2.136,401 1,402 2.242,403 1,404 3.11,405 1.597,406 0.49,407 0.792,409 1.121,410 0.537,411 1.114,412 0.18,413 2.24,414 0.751,415 -0.276,416 -0.362,418 -0.585,419 -0.282,420 0.75,421 -0.226,422 2,423 0.28,424 -0.751,425 -1.097,427 -1.609,428 -0.77,429 0.5,430 -0.691,431 1.707,433 -1,434 -1.5,436 -2.347,437 -1,438 0.5,439 -1,440 1.555,442 -1,443 -1.5,445 -2.938,446 -1,447 0.229,448 -1,449 1.445,450 -0.158,451 -1.219,452 -1.56,454 -3,455 -1.258,456 -0.048,457 -1.077,458 1.233,459 -0.324,460 -1.381,461 -2,463 -3.504,464 -1.5,465 -0.37,466 -1.537,467 1,468 -0.665,469 -1.688,470 -2.217,472 -4.789,473 -1.734,474 8.167,475 0.48,476 0.404,477 0.024,478 24.5,479 1.441,480 15,481 0.882,482 9.5,483 0.559,484 9.078,485 0.534,486 17.033,487 0.587,488 16.174,489 0.951,490 5.125,491 0.301,492 3.056,493 0.18,494 0.143,496 0.306,501 0.467,502 0.902,503 0.726,504 0.901,505 0.524,506 0.86,507 0.572,508 1.007,509 0.797,510 1.001,511 0.615,512 0.944,513 0.682,514 1.16,515 0.912,516 1.152,517 0.685,518 1.08,519 1.407,520 1.065,521 0.991,522 1.039,523 1.372,524 0.969,525 2.189,526 0.743,527 1.045,528 0.711,529 2.147,530 0.71,531 1.756,532 1.05,533 1.304,534 1.048,535 1.741,536 1.099,537 1.112,538 1.067,539 1.289,540 1.093,541 1.11,542 1.195,543 0.813,544 0.964,545 1.179,546 0.999,547 0.812,548 1.119,549 3,550 0.012,551 2.222,552 1.188,553 0.893,554 0.472,555 0.162,556 0.111,557 0.082,558 0.03,559 2254,560 6198,561 1.994,562 41.4,563 3,564 9,572 1.569,573 1.855,574 2.969,575 -0.865,577 1,579 1,582 37.259,583 1.285,584 2.52,585 2.995,586 3.702,587 4.004,588 4.073,589 2.469,590 3.617,591 4.06,592 3.028,593 411.774,594 6.863,595 3692.51,597 1,599 1,600 140.881,601 1.447,602 4.01,603 0.167,604 0.012,605 0.093,606 0.049,607 0.047,608 0.028,609 0.012,610 0.011,611 0.014,612 0.01,613 0.442,614 0.83,615 1,616 0.682,617 70.192,619 0.031,620 0.019,621 0.031,622 -0.053,623 0.028,624 0.023,625 -0.065,626 0.025,627 -0.058,628 -0.017,629 -0.024,630 0.242,631 -0.211,633 -0.206,634 0.24,635 -0.15,636 -0.065,637 -0.094,638 0.043,639 -0.078,640 -0.031,641 -0.015,642 -0.278,643 0.246,644 0.049,645 0.246,646 -0.237,647 0.204,648 -0.303,649 -0.095,650 -0.374,651 -0.121,652 -0.287,653 -0.234,654 -0.188,655 -0.104,656 -0.333,657 -0.13,658 -0.187,659 -0.232,660 -0.106,661 0.012,662 -0.165,663 -0.005,664 -0.106,665 -0.078,666 2.13,667 4.907,668 0.706,669 9.875,670 0.998,671 1.1,672 3.148,673 9.912,674 0.706,675 2.944,676 3.219,677 3.434,678 3.555,679 3.714,680 3.555,681 3.497,682 3.367,683 3.219,684 3.045,685 4.521,686 0.676,687 224.27,688 2.944,689 4.443,690 5.263,691 6.103,692 6.94,693 7.785,694 8.629,695 9.476,696 10.322,697 11.171,715 9,720 3,722 12,727 2,741 29,743 14,744 2,745 18,747 30,748 15,749 12,750 3,751 9,752 2,756 2,757 2,763 1,772 14,773 1,777 2,782 2,786 2,790 1,793 12,794 2,796 2,808 1,809 2,829 2,859 2,864 1,868 17,893 6.9,896 2,901 9.167,902 5.583,903 3.833,904 1.688,907 2.11,908 1.363,909 0.967,910 3.154,911 7.921,912 3.296,913 3.85,914 4.407,915 4.844,916 5.327,917 5.273,918 5.455,919 5.455,920 5.558,921 5.768,922 1,923 24,924 6.295,926 2.652,927 0.026,929 7.99,931 11.7,933 9.22,936 2.49,937 42.333,938 0.001,941 141.253,942 113.935,945 50.29,948 113.935,949 191.543,951 8.825,953 85.286,954 60.557,955 9.557,957 141.253,959 141.253,960 113.935,961 50.29,964 141.253,965 50.29,968 8.825,969 105.11,972 141.253,973 50.29,974 113.935,977 141.253,978 19.824,979 94.111,981 50.29,982 141.253,983 50.29,984 113.935,986 0.576,987 0.336,988 0.164,989 0.088,990 11,991 5,992 0.1,993 3,995 1,996 2.928,997 112.102,999 12,1000 61.487,1005 11.283,1006 4.753,1007 2.483,1009 50.29,1010 15.606,1015 1.927,1018 305.478,1019 26,1024 23.787,1028 -0.925,1031 28.956,1032 31.91,1034 0.264,1035 0.519,1036 0.616,1037 0.762,1038 0.824,1039 0.838,1040 4.477,1041 0.49,1042 5.231,1043 2.136,1044 3.892,1045 4.533,1047 5.989,1048 3.924,1049 5.678,1050 -0.276,1051 6.77,1052 1.121,1053 3.434,1054 4.182,1056 6.83,1057 3.509,1058 6.966,1059 -0.751,1060 8.414,1061 -0.585,1062 5.434,1063 6.671,1065 9.909,1066 5.505,1067 8.291,1068 -1,1069 10.121,1070 -1.609,1071 5.802,1072 7.118,1074 11.579,1075 5.933,1076 9.646,1077 -1,1078 11.869,1079 -2.347,1080 7.273,1081 9.063,1083 14.187,1084 7.399,1085 11.025,1086 -1.219,1087 13.644,1088 -2.938,1089 8.019,1090 9.889,1092 16.192,1093 8.207,1094 12.421,1095 -1.381,1096 15.44,1097 -3,1098 9.272,1099 11.579,1101 18.629,1102 9.465,1103 3.04,1104 -1.688,1105 17.25,1106 -3.504,1107 10.201,1108 12.613,1110 20.786,1111 10.45,1112 2.565,1113 10.025,1114 19.072,1115 -4.789,1116 11.361,1117 14.165,1119 23.152,1120 11.627,1121 2.221,1122 7.619,1123 20.903,1124 3.93,1125 12.379,1126 15.322,1128 25.383,1129 12.693,1130 1.712,1131 5.991,1132 22.741,1133 3.573,1134 13.502,1135 16.794,1137 27.716,1138 13.841,1139 1.213,1140 4.285,1141 24.584,1142 3.032,1143 14.564,1144 18.028,1146 29.983,1147 14.945,1148 1,1149 2.844,1150 26.433,1151 2.431,1152 15.674,1153 19.452,1155 32.301,1156 16.084,1157 1,1158 2.275,1159 28.286,1160 1.768,1161 16.758,1162 20.733,1164 34.586,1165 17.207,1166 2302,1167 3902,1168 11.731,1169 20.477,1170 27.177,1171 28.639,1172 27.703,1173 26.528,1174 26.485,1175 37.053,1177 72.59,1178 26.946,1179 5.207,1180 5.836,1181 6.328,1182 5.074,1183 5.04,1184 6.93,1186 17.148,1187 5.138,1188 8.034,1189 1.51,1190 1.591,1191 1.539,1192 1.474,1193 1.471,1194 2.058,1196 4.033,1197 1.497,1198 3.987,1199 4.004,1200 3.938,1201 3.921,1202 7.497,1203 3.921,1204 3.865,1205 3.894,1206 3.795,1207 3.811,1208 7.352,1209 3.803,1210 3.436,1211 3.444,1212 3.383,1213 3.276,1214 4.735,1215 3.298,1216 3.087,1217 3.151,1218 2.931,1219 2.927,1220 4.7,1221 2.919,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.844,1227 2.715,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 2.738,1235 2.782,1236 2.593,1237 2.543,1238 3.674,1239 2.544,1240 2.399,1241 2.449,1242 2.262,1243 2.157,1244 3.577,1245 2.156,1246 0.244,1247 0.213,1248 0.363,1249 0.226,1250 0.169,1251 4.388,1252 0.218,1253 3.836,1255 6.526,1256 0.557,1257 4.074,1258 0.174,1259 3.04,1260 3.93,1262 10.025,1263 3.138,1264 1.954,1265 1.936,1266 2.058,1267 2.037,1268 1.15,1269 2.043,1270 1.876,1271 1.849,1272 2.002,1273 1.954,1274 1.068,1275 1.972,1276 1.364,1277 1.347,1278 1.57,1279 1.556,1280 0.637,1281 1.547,1282 1.08,1283 1.023,1284 1.297,1285 1.306,1286 0.301,1287 1.317,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 0.703,1301 0.652,1302 0.961,1303 0.927,1304 0.017,1305 0.936,1306 0.351,1307 0.288,1308 0.68,1309 0.632,1311 0.646,1312 3.611,1314 4.89,1316 6.378,1318 7.948,1320 9.555,1322 1.938,1340 19.59,1341 37.259,1342 73.068,1343 86.842,1344 107.372,1345 116.127,1346 118.127,1347 31.882,1348 5.811,1349 34.14,1350 34.14,1351 12,1352 11.73,1353 3.907,1354 3.17,1355 28.417,1356 45,1357 45,1358 0.316,1359 124.442,1360 218,1361 295.399,1362 1932,1364 12.251,1365 0.721,1366 0.56,1367 12.251,1368 9.513,1369 8.182,1370 0.455,1371 0.299,1372 5.362,1373 8.055,1374 5.174,1375 4.354,1376 8.182,1377 5.39,1378 7.136,1379 0.297,1380 0.162,1381 7.136,1382 3.89,1383 6.027,1384 0.201,1385 0.085,1386 6.027,1387 2.556,1388 4.33,1389 0.127,1390 0.046,1391 4.33,1392 1.557,1393 3.348,1394 0.084,1395 0.026,1396 3.348,1397 1.04,1398 0.48,1399 50.244,1400 0.292,1401 17.132,1402 0.905,1403 84,1404 257.471,1405 88.207,1406 253.136,1407 335.31,1408 234,1409 96,1410 233.273,1411 100.761,1412 241.114,1413 347.58,1414 226,1415 4}
{0 CHEMBL372071,1 1.456,2 8.737,3 0.347,4 0.12,5 75.292,6 6.078,8 3.842,9 3.993,10 3.229,11 3.26,12 4.734,13 3.212,14 4.454,15 4.703,16 3.482,17 3.588,18 5.281,19 3.501,20 4.69,21 4.957,22 3.585,23 3.772,24 5.57,25 3.669,26 4.754,27 4.995,28 3.508,29 3.85,30 5.68,31 3.702,32 4.858,33 5.17,34 3.295,35 3.708,36 5.791,37 3.507,38 4.581,39 4.914,40 3.031,41 3.396,42 5.368,43 3.222,44 4.228,45 4.502,46 3.037,47 3.32,48 5.047,49 3.187,50 4.297,51 4.553,52 2.98,53 3.362,54 5.213,55 3.195,56 0.026,57 0.626,58 11.159,59 3.853,60 3.728,61 6.015,62 0.291,63 0.916,64 20.572,65 5.428,66 15.555,67 9.302,68 0.458,69 1.047,70 25.852,71 7.343,72 31.838,73 11.667,74 0.281,75 1.083,76 27.094,77 9.046,78 34.473,79 13.503,80 0.467,81 0.979,82 29.41,83 8.169,84 75.873,85 13.273,86 0.427,87 0.742,88 22.398,89 5.348,90 43.315,91 9.267,92 0.264,93 0.65,94 15.964,95 4.877,96 17.262,97 7.591,98 0.143,99 0.657,100 16.803,101 5.612,102 24.527,103 8.502,104 25,105 27,106 0.262,107 0.415,108 0.676,109 0.764,110 0.788,111 0.788,112 3.009,113 1.117,114 -2.09,115 -2.13,116 -2.12,121 31.8,122 2,123 3,127 6,129 1,160 2,176 1,179 2,180 6,191 3,205 1,206 3,214 3,218 1,219 6,231 1,232 2,243 2,251 2,256 2,269 6,281 450,282 12.809,283 12.809,284 12.809,285 12.809,286 12.809,287 12.549,288 20.779,289 7.475,290 13.145,291 9.704,292 9.704,293 9.704,294 9.704,295 9.704,296 9.183,297 26.704,298 3.352,299 10.15,300 4.004,301 3.156,302 1.705,303 1.216,304 1.08,305 1.08,306 3.648,311 1,312 1,313 342,314 3.24,315 39.232,318 69.139,325 1.435,326 21.219,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 41.5,338 166,339 4.226,340 3.91,341 6.537,342 4.075,343 3.118,344 3.373,345 2.058,346 10.273,347 2.978,348 3.781,349 3.544,350 5.965,351 3.632,352 2.671,353 2.886,354 1.909,355 8.382,356 2.565,357 3.441,358 2.839,359 5.27,360 3.357,361 2.436,362 2.442,363 0.8,364 6.641,365 2.241,366 3.346,367 2.781,368 5.132,369 3.088,370 2.071,371 2.414,372 0.767,373 5.925,374 2.094,375 2.764,376 2.257,377 4.458,378 2.625,379 1.641,380 1.748,381 0.397,382 4.455,383 1.601,384 2.211,385 1.655,386 3.647,387 2.152,388 1.181,389 1.193,391 2.665,392 1.143,393 1.887,394 1.253,395 3.176,396 1.591,397 0.618,398 0.652,400 1.315,401 0.6,402 1.618,403 0.744,404 2.652,405 1.574,406 0.56,407 0.618,409 0.791,410 0.559,411 1.152,412 0.678,413 2.618,414 1.045,415 0.059,416 0.063,418 0.1,419 0.058,420 0.815,421 0.426,422 2.617,423 0.618,424 -0.379,425 -0.414,427 -0.893,428 -0.372,429 0.683,430 0.042,431 2.134,432 0.516,433 -0.475,434 -0.497,436 -0.956,437 -0.465,438 0.347,439 -0.429,440 2,441 0.119,442 -0.914,443 -0.934,445 -2.131,446 -0.894,447 0.059,448 -0.67,449 1.603,450 0.016,451 -1,452 -1,453 -0.241,454 -2.595,455 -1,457 -0.803,458 1.473,460 -1,461 -1.312,462 -0.327,463 -3,464 -1.06,465 -0.317,466 -1,467 1.154,468 -0.54,469 -1.508,470 -1.618,471 -0.4,472 -3.791,473 -1.423,474 8.867,475 0.467,476 0.435,477 0.023,478 15.75,479 0.829,480 3,481 0.158,482 12.75,483 0.671,484 19.02,485 1.001,486 23.533,487 0.535,488 9.92,489 0.522,490 2.823,491 0.149,492 6.328,493 0.333,494 0.188,496 0.305,501 0.677,502 1.983,503 0.972,504 1.569,505 0.493,506 1.343,507 0.859,508 1.332,509 1.035,510 1.109,511 0.514,512 1.075,513 1.124,514 0.768,515 1.011,516 0.814,517 1.019,518 0.869,519 1.109,520 1.234,521 1.174,522 1.364,523 1.334,524 1.302,525 0.989,526 1.01,527 0.91,528 0.98,529 1.136,530 0.95,531 1.227,532 0.65,533 0.89,534 0.571,535 1.173,536 0.66,537 0.926,538 0.787,539 1.031,540 0.912,541 0.811,542 0.966,543 0.958,544 1.321,545 1.088,546 1.383,547 1.155,548 1.287,549 4,550 0.04,551 2.056,552 1.25,553 1.009,554 0.493,555 0.279,556 0.225,557 0.146,558 0.087,559 3233,560 6537,561 1.965,562 56.8,564 13,569 10,570 2,572 1.6,573 1.81,574 3.118,575 -0.724,577 1,582 64.061,583 1.456,584 2.304,585 3.754,586 4.243,587 4.38,588 4.38,589 2.55,590 3.616,591 4.217,592 3.29,593 562.543,594 7.168,595 5698.25,597 1,600 240.215,601 1.509,602 4.159,603 0.2,604 0.007,605 0.086,606 0.046,607 0.044,608 0.029,609 0.02,610 0.015,611 0.011,612 0.011,613 0.468,614 0.67,615 1,616 1.933,617 83.705,618 0.018,619 -0.496,620 0.068,621 -0.208,622 0.005,623 -0.087,624 0.064,625 -0.126,626 -0.001,627 -0.084,628 0.044,629 -0.054,630 -0.008,631 0.316,632 0.021,633 0.167,634 -0.027,635 0.113,636 -0.071,637 -0.16,638 -0.181,639 -0.249,640 -0.093,641 -0.235,642 0.066,643 -0.175,644 0.046,645 -0.068,646 0.074,647 -0.023,648 -0.077,649 0.169,650 0.094,651 0.227,652 -0.075,653 0.193,654 0.014,655 0.286,656 -0.036,657 0.094,658 -0.005,659 0.034,660 -0.035,661 -0.302,662 -0.127,663 -0.283,664 -0.025,665 -0.23,666 1.55,667 5.016,668 0.474,669 15.141,670 0.993,671 1.147,672 0.858,673 0.736,674 0.598,675 3.045,676 3.332,677 3.497,678 3.638,679 3.761,680 3.714,681 3.714,682 3.611,683 3.367,684 3.332,685 5.383,686 0.552,687 267.42,688 3.045,689 4.554,690 5.389,691 6.248,692 7.104,693 7.971,694 8.837,695 9.709,696 10.582,697 11.459,698 6.8,701 1,705 2,741 44,743 2,745 20,747 45,748 14,756 2,757 2,763 2,767 3,770 4,772 2,773 12,777 2,782 2,786 2,789 1,790 1,793 25,794 5,796 5,802 3,808 1,809 2,826 1,829 1,844 2,855 1,859 2,864 2,868 19,876 9,880 1,881 3,893 4.5,896 2,901 10.5,902 8.267,903 4.417,904 3.183,907 0.19,908 1.032,909 0.909,910 5.085,911 6.138,912 3.135,913 3.466,914 3.664,915 3.85,916 4.078,917 3.932,918 3.892,919 3.85,920 3.555,921 3.434,922 0.833,923 27,924 7.139,926 2.966,927 0.026,929 7.719,931 14.055,933 11.591,936 2.219,937 42.167,938 0.002,941 294.278,942 47.298,943 9.373,945 50.29,948 47.298,949 344.567,950 9.373,951 17.65,952 26.486,954 59.699,955 3.124,957 294.278,959 294.278,960 56.67,961 50.29,964 153.024,965 191.543,968 47.261,969 9.409,972 294.278,973 59.663,974 47.298,977 294.278,978 29.647,979 27.023,981 50.29,982 294.278,983 59.663,984 47.298,986 0.57,987 0.324,988 0.157,989 0.074,990 12,991 6,992 0.156,993 7,995 1,996 3.186,997 127.737,999 9,1000 74.711,1005 14.639,1006 6.599,1007 4.1,1009 59.663,1018 401.238,1019 22,1024 23.978,1028 0.246,1031 43.68,1032 50.481,1034 0.267,1035 0.422,1036 0.688,1037 0.777,1038 0.802,1039 0.802,1040 4.394,1041 0.56,1042 5.371,1043 1.315,1044 4.007,1045 4.143,1046 2.799,1047 6.163,1048 3.926,1049 5.525,1050 0.059,1051 6.934,1052 0.791,1053 3.761,1054 4.007,1055 2.301,1056 7.154,1057 3.65,1058 6.799,1059 -0.379,1060 8.599,1061 0.1,1062 5.617,1063 5.894,1064 3.772,1065 10.145,1066 5.435,1067 8.093,1068 -0.475,1069 10.319,1070 -0.893,1071 6.111,1072 6.509,1073 3.891,1074 11.873,1075 5.898,1076 9.419,1077 -0.914,1078 12.073,1079 -0.956,1080 7.503,1081 7.933,1082 4.992,1083 14.444,1084 7.224,1085 10.761,1086 -1,1087 13.85,1088 -2.131,1089 8.326,1090 8.87,1091 5.387,1092 16.488,1093 8.013,1094 12.118,1095 -1,1096 15.643,1097 -2.595,1098 9.542,1099 10.133,1100 6.301,1101 18.907,1102 9.17,1103 3.118,1104 -1.508,1105 17.448,1106 -3,1107 10.521,1108 11.215,1109 6.836,1110 21.098,1111 10.11,1112 2.671,1113 10.273,1114 19.264,1115 -3.791,1116 11.671,1117 12.427,1118 7.652,1119 23.458,1120 11.207,1121 2.436,1122 8.382,1123 21.087,1124 3.373,1125 12.724,1126 13.573,1127 8.263,1128 25.718,1129 12.219,1130 2.071,1131 6.641,1132 22.918,1133 2.886,1134 13.852,1135 14.772,1136 9.027,1137 28.055,1138 13.298,1139 1.641,1140 5.925,1141 24.754,1142 2.442,1143 14.941,1144 15.949,1145 9.681,1146 30.349,1147 14.344,1148 1.181,1149 4.455,1150 26.596,1151 2.414,1152 16.064,1153 17.148,1154 10.417,1155 32.677,1156 15.42,1157 0.618,1158 2.665,1159 28.441,1160 1.748,1161 17.172,1162 18.34,1163 11.094,1164 34.987,1165 16.484,1166 3330,1167 4846,1168 12.83,1169 26.302,1170 29.054,1171 30.536,1172 30.569,1173 28.73,1174 28.712,1175 30.779,1176 11.861,1177 81.092,1178 27.678,1179 5.226,1180 5.656,1181 6.155,1182 5.142,1183 5.118,1184 5.373,1185 3.571,1186 17.137,1187 4.849,1188 10.594,1189 1.453,1190 1.527,1191 1.528,1192 1.436,1193 1.436,1194 1.539,1195 0.593,1196 4.055,1197 1.384,1198 3.975,1199 4.029,1200 3.891,1201 3.811,1202 7.434,1203 3.818,1204 3.784,1205 3.858,1206 3.65,1207 3.608,1208 7.42,1209 3.609,1210 3.669,1211 3.733,1212 3.547,1213 3.467,1214 4.354,1215 3.479,1216 3.39,1217 3.465,1218 3.206,1219 3.218,1220 4.297,1221 3.202,1222 3.306,1223 3.407,1224 3.093,1225 3.123,1226 4.057,1227 3.089,1228 3.168,1229 3.187,1230 3.04,1231 2.933,1232 3.892,1233 2.959,1234 2.939,1235 3.039,1236 2.732,1237 2.659,1238 3.729,1239 2.665,1240 2.646,1241 2.753,1242 2.385,1243 2.32,1244 3.436,1245 2.33,1246 0.211,1247 0.195,1248 0.327,1249 0.204,1250 0.156,1251 4.226,1252 0.169,1253 3.91,1254 0.103,1255 6.537,1256 0.514,1257 4.075,1258 0.149,1259 3.118,1260 3.373,1261 2.058,1262 10.273,1263 2.978,1264 1.785,1265 1.726,1266 1.993,1267 2.016,1268 1.293,1269 2.005,1270 1.678,1271 1.61,1272 1.881,1273 1.917,1274 1.116,1275 1.914,1276 1.441,1277 1.364,1278 1.725,1279 1.658,1280 0.995,1281 1.686,1282 1.351,1283 1.256,1284 1.724,1285 1.584,1286 0.869,1287 1.638,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.825,1293 1.429,1294 1.116,1295 1.046,1296 1.424,1297 1.362,1298 0.737,1299 1.389,1300 1.066,1301 1.023,1302 1.322,1303 1.334,1304 0.582,1305 1.313,1306 0.836,1307 0.732,1308 1.237,1309 1.125,1310 0.46,1311 1.169,1312 3.714,1313 1.946,1314 5.004,1315 3.714,1316 6.5,1317 5.476,1318 8.09,1319 7.252,1320 9.73,1322 4.291,1328 7.461,1332 0.356,1333 5.834,1340 24.289,1341 64.061,1342 101.364,1343 165.195,1344 186.705,1345 192.705,1346 192.705,1347 41.271,1348 5.948,1349 43.86,1350 43.86,1351 9,1352 11.998,1353 1.585,1354 1.585,1355 33.842,1356 60,1357 56,1358 0.277,1359 152.797,1360 271.34,1361 364.585,1362 2242,1364 13.828,1365 0.728,1366 0.637,1367 13.828,1368 12.099,1369 9.151,1370 0.458,1371 0.372,1372 7.334,1373 8.705,1374 7.133,1375 5.899,1376 9.151,1377 7.449,1378 7.801,1379 0.289,1380 0.202,1381 7.801,1382 5.449,1383 6.135,1384 0.192,1385 0.119,1386 6.135,1387 3.801,1388 4.592,1389 0.124,1390 0.069,1391 4.592,1392 2.549,1393 3.315,1394 0.079,1395 0.035,1396 3.315,1397 1.478,1398 0.435,1399 57.788,1400 0.279,1401 19.301,1402 0.752,1403 94,1404 260.406,1405 105.672,1406 241.922,1407 319.18,1408 226,1409 109,1410 222.371,1411 121.313,1412 219.612,1413 322.38,1414 207,1415 4.699}
{0 CHEMBL372202,1 1.54,2 17.744,3 7.854,4 61.681,5 159.819,6 7.568,7 0.488,8 4.396,9 4.519,10 3.976,11 3.973,12 5.391,13 3.926,14 4.973,15 5.153,16 4.349,17 4.397,18 5.921,19 4.315,20 5.262,21 5.493,22 4.444,23 4.545,24 6.151,25 4.432,26 5.279,27 5.508,28 4.53,29 4.534,30 6.225,31 4.413,32 5.288,33 5.536,34 4.317,35 4.502,36 6.134,37 4.357,38 5.281,39 5.527,40 4.291,41 4.489,42 6.12,43 4.328,44 5.277,45 5.531,46 4.176,47 4.437,48 6.14,49 4.25,50 5.191,51 5.465,52 3.977,53 4.302,54 6.018,55 4.103,56 0.044,57 1.053,58 15.73,59 7.088,60 8.641,61 9.587,62 0.225,63 1.738,64 31.711,65 12.68,66 27.703,67 17.363,68 0.382,69 2.162,70 49.016,71 16.854,72 46.538,73 23.321,74 0.582,75 2.197,76 53.274,77 16.523,78 64.509,79 23.069,80 0.493,81 2.168,82 50.328,83 17.218,84 52.859,85 24.029,86 0.469,87 2.072,88 53.053,89 17.767,90 51.827,91 24.441,92 0.586,93 1.976,94 57.777,95 18.136,96 65.1,97 24.749,98 0.567,99 1.768,100 55.142,101 16.885,102 65.608,103 23.094,104 18,105 59,106 0.237,107 0.557,108 0.749,109 0.872,110 0.899,111 0.899,112 3.692,113 1.028,114 -5.4,115 -5.28,116 -4.93,121 41.3,123 10,126 1,127 2,144 5,145 4,146 4,148 2,153 1,154 1,160 1,176 12,180 7,183 1,185 8,187 19,192 5,197 7,200 9,206 7,209 1,211 8,214 15,219 3,222 1,223 1,224 4,227 11,232 3,237 4,239 18,244 2,247 2,249 2,251 17,256 2,259 1,260 1,261 1,264 16,268 1,269 3,274 1,277 13,281 3109,282 26.783,283 26.783,284 26.783,285 26.783,286 26.783,287 24.142,288 27.576,289 16.084,290 27.411,291 21.218,292 21.218,293 21.218,294 21.218,295 21.218,296 16.943,297 26.224,298 7.617,299 22.201,300 4.689,301 2.61,302 1.362,303 0.564,304 0.383,305 0.383,306 4.4,308 2,313 1524,314 4.416,317 102.032,318 429.363,321 187.733,322 350.033,325 2.534,326 32.652,329 0.5,330 0.67,331 0.67,332 0.7,333 0.5,334 0.67,335 0.5,336 0.6,337 82.667,338 692,339 4.714,340 3.575,341 6.962,342 4.262,343 3.293,344 4.669,345 1.907,346 11.809,347 3.185,348 4.55,349 3.472,350 6.546,351 4.076,352 3.091,353 4.504,354 0.86,355 10.359,356 3.043,357 4.064,358 3.182,359 6.174,360 3.664,361 2.709,362 3.606,363 0.4,364 8.99,365 2.573,366 3.707,367 3.062,368 5.435,369 3.396,370 2.398,371 3.121,372 0.149,373 6.928,374 2.39,375 3.653,376 2.721,377 5.292,378 3.293,379 2.338,380 3.038,382 6.732,383 2.222,384 3.622,385 2.721,386 5.101,387 3.2,388 2.268,389 2.831,391 6.118,392 2.104,393 3.402,394 2.333,395 5.031,396 2.932,397 1.998,398 2.757,400 5.872,401 1.894,402 3.34,403 2.23,404 5.023,405 2.907,406 1.96,407 2.667,409 5.84,410 1.78,411 3.077,412 2.162,413 4.817,414 2.807,415 1.857,416 2.218,418 5.042,419 1.74,420 2.806,421 1.865,422 4.158,423 2.644,424 1.723,425 1.849,427 3.683,428 1.496,429 2.742,430 1.615,431 4.001,432 2.392,433 1.407,434 1.806,436 3.521,437 1.373,438 2.499,439 1.519,440 3.799,441 2.359,442 1.381,443 1.498,445 3.176,446 1.345,447 2.408,448 1.42,449 3.622,450 2.27,451 1.288,452 1.402,454 2.912,455 1.262,456 2.325,457 1.31,458 3.509,459 2.063,460 1.104,461 1.281,463 2.547,464 1.052,465 2.097,466 1.269,467 3.36,468 1.941,469 0.968,470 1.055,472 2.213,473 0.923,474 19.195,475 0.492,476 0.815,477 0.021,478 45.25,479 1.16,480 20.5,481 0.526,482 24.75,483 0.635,484 43.136,485 1.106,486 42.605,487 0.568,488 32.634,489 0.837,490 8.145,491 0.209,492 10.885,493 0.279,494 0.118,496 0.313,501 0.746,502 1.257,503 0.661,504 0.982,505 0.562,506 0.946,507 0.818,508 1.182,509 0.72,510 0.963,511 0.568,512 0.969,513 0.974,514 1.052,515 0.85,516 0.904,517 0.966,518 0.906,519 0.876,520 1.107,521 0.786,522 0.981,523 0.988,524 1.007,525 0.925,526 0.988,527 0.874,528 0.95,529 1.032,530 1.001,531 1.001,532 1.035,533 1.012,534 1.043,535 0.984,536 1.067,537 1.076,538 0.994,539 1.253,540 1.12,541 1.245,542 1.125,543 1.055,544 0.856,545 1.237,546 1.041,547 1.276,548 1.03,549 6.5,550 0.152,551 3.778,552 2.917,553 2.276,554 1.174,555 0.764,556 0.455,557 0.278,558 0.203,559 31404,560 79742,561 2.11,562 48,563 12,564 12,565 1,567 3,568 4,569 4,572 1.784,573 2,574 3.976,575 0.722,582 115.464,583 1.54,584 3.619,585 4.867,586 5.665,587 5.845,588 5.845,589 3.326,590 4.978,591 5.265,592 4.271,593 3164.94,594 9.22,595 60898.6,600 467.161,601 1.309,602 5.228,603 0.151,604 0.005,605 0.064,606 0.047,607 0.039,608 0.023,609 0.016,610 0.011,611 0.008,612 0.006,613 0.372,614 0.17,615 0.63,616 0.608,617 226.619,618 -0.037,619 -0.041,620 0.022,621 0.012,622 0.011,623 0.035,624 0.003,625 -0.067,626 0.035,627 0.014,628 0.088,629 0.008,630 -0.063,631 -0.02,632 0.042,633 0.067,634 -0.044,635 0.072,636 0.079,637 -0.054,638 0.106,639 -0.026,640 0.025,641 -0.044,642 -0.03,643 0.029,644 -0.012,645 0.004,646 -0.072,647 -0.03,648 -0.063,649 -0.06,650 -0.044,651 -0.056,652 -0.05,653 -0.076,654 -0.047,655 -0.056,656 -0.135,657 -0.111,658 -0.075,659 -0.125,660 -0.043,661 0.045,662 -0.101,663 -0.031,664 -0.059,665 -0.022,666 1.547,667 5.347,668 0.59,669 48.48,670 0.996,671 1.125,672 4.167,673 17.36,674 0.675,675 3.784,676 4.094,677 4.382,678 4.682,679 4.92,680 5.037,681 5.124,682 5.22,683 5.226,684 5.124,685 10.587,686 0.628,687 567.61,688 3.784,689 5.323,690 6.176,691 7.057,692 7.932,693 8.825,694 9.711,695 10.611,696 11.503,697 12.407,698 5.3,703 1,705 1,706 1,708 1,714 4,715 6,716 1,717 1,720 7,722 21,734 1,739 1,740 2,741 75,743 22,744 2,745 43,747 79,748 31,749 17,750 7,751 5,756 5,757 9,758 2,767 4,770 10,772 18,773 13,777 1,782 1,786 1,793 36,794 5,795 3,796 8,797 2,802 4,808 0.4,809 2,822 1,824 1,828 1,829 4,832 1,833 2,843 1,859 2,864 1,865 2,868 39,876 12,877 2,878 1,892 2,893 2.7,896 1,898 1,901 19.5,902 13.569,903 8.694,904 4.991,907 4.166,908 1.484,909 1.001,910 9.671,911 12.77,912 4.016,913 4.632,914 5.259,915 5.904,916 6.469,917 6.847,918 7.192,919 7.542,920 7.681,921 7.615,922 1,923 62,924 14.48,926 6.131,927 0.026,929 7.583,931 28.416,933 23.852,936 2.083,937 81.222,941 388.446,942 135.137,943 69.593,944 78.297,945 36.145,948 135.137,949 502.888,950 69.593,951 10.883,952 47.567,953 56.429,954 64.646,955 59.205,956 13.915,957 376.675,958 78.297,959 388.446,960 204.729,961 36.145,962 78.297,964 341.362,965 83.229,968 69.254,969 100.679,970 113.094,972 388.446,973 105.737,974 213.434,977 388.446,978 67.825,979 67.312,980 52.807,981 131.228,982 388.446,983 105.737,984 213.434,986 0.572,987 0.335,988 0.19,989 0.106,990 27,991 12,992 0.152,993 12,994 3,995 1.261,996 5.113,997 365.712,998 0.261,999 23,1000 202.131,1005 28.225,1006 13.363,1007 6.887,1008 4.066,1009 88.952,1010 11.72,1011 4.886,1012 3.287,1015 6.894,1017 52.807,1018 707.618,1019 54.5,1024 12.347,1028 0.119,1031 74.73,1032 84.358,1034 0.247,1035 0.581,1036 0.781,1037 0.91,1038 0.938,1039 0.938,1040 5.254,1041 1.96,1042 6.146,1043 5.872,1044 4.779,1045 5.321,1046 2.18,1047 6.959,1048 4.694,1049 6.453,1050 1.857,1051 7.699,1052 5.84,1053 4.29,1054 5.239,1055 1.593,1056 7.877,1057 4.138,1058 7.769,1059 1.723,1060 9.357,1061 5.042,1062 6.361,1063 7.599,1064 2.965,1065 11.023,1066 6.218,1067 9.126,1068 1.407,1069 11.081,1070 3.683,1071 6.735,1072 8.396,1073 3.032,1074 12.835,1075 6.543,1076 10.521,1077 1.381,1078 12.849,1079 3.521,1080 8.245,1081 10.238,1082 4.052,1083 15.505,1084 8.054,1085 11.943,1086 1.288,1087 14.648,1088 3.176,1089 9.039,1090 11.436,1091 4.409,1092 17.688,1093 8.81,1094 13.387,1095 1.104,1096 16.472,1097 2.912,1098 10.328,1099 13.083,1100 5.254,1101 20.202,1102 10.088,1103 3.293,1104 0.968,1105 18.314,1106 2.547,1107 11.325,1108 14.465,1109 5.75,1110 22.539,1111 11.052,1112 3.091,1113 11.809,1114 20.171,1115 2.213,1116 12.529,1117 16.036,1118 6.502,1119 25.004,1120 12.238,1121 2.709,1122 10.359,1123 22.04,1124 4.669,1125 13.621,1126 17.499,1127 7.068,1128 27.404,1129 13.299,1130 2.398,1131 8.99,1132 23.919,1133 4.504,1134 14.796,1135 19.041,1136 7.771,1137 29.856,1138 14.451,1139 2.338,1140 6.928,1141 25.805,1142 3.606,1143 15.931,1144 20.539,1145 8.374,1146 32.285,1147 15.555,1148 2.268,1149 6.732,1150 27.698,1151 3.121,1152 17.099,1153 22.072,1154 9.051,1155 34.735,1156 16.697,1157 1.998,1158 6.118,1159 29.597,1160 3.038,1161 18.254,1162 23.586,1163 9.674,1164 37.178,1165 17.821,1166 29057,1167 46544,1168 29.126,1169 50.591,1170 63.112,1171 65.13,1172 65.175,1173 63.375,1174 63.077,1175 80.724,1176 6.632,1177 178.808,1178 60.005,1179 5.684,1180 5.575,1181 6.824,1182 5.304,1183 5.293,1184 7.669,1185 3.306,1186 19.368,1187 5.185,1188 17.913,1189 1.468,1190 1.515,1191 1.516,1192 1.474,1193 1.467,1194 1.877,1195 0.154,1196 4.158,1197 1.395,1198 4.145,1199 4.176,1200 4.196,1201 4.068,1202 7.429,1203 4.072,1204 4.102,1205 4.129,1206 4.085,1207 4.029,1208 5.094,1209 4.035,1210 3.789,1211 3.847,1212 3.79,1213 3.672,1214 4.996,1215 3.657,1216 3.739,1217 3.779,1218 3.658,1219 3.644,1220 4.685,1221 3.632,1222 3.632,1223 3.696,1224 3.589,1225 3.458,1226 4.624,1227 3.46,1228 3.514,1229 3.564,1230 3.496,1231 3.358,1232 4.617,1233 3.358,1234 3.39,1235 3.461,1236 3.408,1237 3.198,1238 4.253,1239 3.2,1240 3.276,1241 3.333,1242 3.301,1243 3.119,1244 4.16,1245 3.116,1246 0.11,1247 0.083,1248 0.162,1249 0.099,1250 0.077,1251 4.714,1252 0.109,1253 3.575,1254 0.044,1255 6.962,1256 0.275,1257 4.262,1258 0.074,1259 3.293,1260 4.669,1261 1.907,1262 11.809,1263 3.185,1264 2.067,1265 2.047,1266 2.136,1267 2.152,1268 1.438,1269 2.152,1270 1.935,1271 1.917,1272 2.027,1273 2.024,1274 1.369,1275 2.024,1276 1.779,1277 1.722,1278 2.012,1279 1.954,1280 1.236,1281 1.974,1282 1.748,1283 1.709,1284 1.9,1285 1.861,1286 1.154,1287 1.884,1288 1.66,1289 1.602,1290 1.859,1291 1.85,1292 1.078,1293 1.863,1294 1.528,1295 1.467,1296 1.768,1297 1.733,1298 1.024,1299 1.744,1300 1.327,1301 1.263,1302 1.582,1303 1.597,1304 0.76,1305 1.594,1306 1.256,1307 1.199,1308 1.53,1309 1.514,1310 0.698,1311 1.525,1312 4.466,1314 5.778,1315 2.398,1316 7.287,1317 4.727,1318 8.902,1319 6.823,1320 10.582,1322 1.673,1323 12.876,1328 11.267,1329 6.748,1330 5.339,1340 47.126,1341 115.464,1342 271.395,1343 365.022,1344 424.897,1345 438.407,1346 438.407,1347 73.604,1348 8.603,1349 79.04,1350 79.04,1351 29,1352 12.929,1353 4.524,1354 3.644,1355 62.278,1356 259,1357 224,1358 0.113,1359 293.728,1360 505.06,1361 708.455,1362 97575,1363 2.7,1364 27.192,1365 0.697,1366 0.615,1367 28.192,1368 23.981,1369 19.029,1370 0.443,1371 0.343,1372 13.914,1373 17.933,1374 13.552,1375 11.191,1376 19.607,1377 14.739,1378 16.729,1379 0.284,1380 0.189,1381 17.508,1382 11.161,1383 14.052,1384 0.178,1385 0.103,1386 14.598,1387 8.12,1388 12.167,1389 0.114,1390 0.057,1391 13.024,1392 6.14,1393 9.717,1394 0.071,1395 0.031,1396 10.169,1397 4.277,1398 0.19,1399 123.989,1400 0.185,1401 36.473,1402 0.281,1403 204,1404 528.522,1405 247.348,1406 573.821,1407 773.09,1408 538,1409 240,1410 525.076,1411 273.614,1412 553.141,1413 812.05,1414 523,1415 10.398}
{0 CHEMBL372262,1 1.483,2 8.391,3 3.365,4 11.325,5 92.088,6 6.814,7 0.44,8 3.91,9 4.038,10 3.41,11 3.405,12 4.923,13 3.376,14 4.488,15 4.696,16 3.759,17 3.786,18 5.469,19 3.741,20 4.69,21 4.903,22 3.874,23 3.975,24 5.622,25 3.908,26 4.803,27 5.029,28 3.89,29 4,30 5.815,31 3.925,32 4.82,33 5.039,34 3.856,35 3.983,36 5.898,37 3.903,38 4.752,39 4.966,40 3.721,41 3.985,42 5.666,43 3.864,44 4.86,45 5.125,46 3.503,47 3.904,48 5.727,49 3.745,50 4.679,51 4.968,52 3.107,53 3.664,54 5.479,55 3.452,56 0.016,57 0.671,58 10.496,59 4.195,60 5.863,61 5.925,62 0.327,63 1.076,64 20.34,65 6.453,66 26.656,67 9.627,68 0.233,69 1.295,70 24.678,71 8.463,72 20.236,73 12.381,74 0.237,75 1.37,76 28.024,77 9.181,78 37.12,79 13.547,80 0.6,81 1.318,82 29.352,83 9.412,84 63.586,85 13.343,86 0.162,87 1.294,88 26.111,89 9.969,90 27.138,91 14.145,92 0.385,93 1.301,94 30.627,95 9.829,96 47.497,97 14.527,98 0.417,99 1.039,100 25.775,101 8.427,102 41.93,103 12.593,104 20,105 35,106 0.257,107 0.563,108 0.753,109 0.813,110 0.821,111 0.821,112 3.19,113 0.974,114 -4.07,115 -4.01,116 -3.8,121 39.1,122 2,126 1,127 5,144 4,145 3,148 1,149 1,160 1,176 7,179 2,180 7,187 7,191 1,192 10,200 6,206 8,214 5,218 5,219 7,227 5,232 5,239 3,244 4,251 2,255 2,256 2,264 1,269 1,281 645,282 15.56,283 15.56,284 15.56,285 15.56,286 15.56,287 14.153,288 17.043,289 9.236,290 16.03,291 12.282,292 12.282,293 12.282,294 12.282,295 12.282,296 10.072,297 21.965,298 4.28,299 12.918,300 4.04,301 2.276,302 1.18,303 0.832,304 0.788,305 0.788,306 3.868,310 1,311 1,312 1,313 407,314 2.915,318 173.43,322 95.263,325 1.191,326 19.598,327 1,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 49.5,338 193,339 4.693,340 3.73,341 6.979,342 4.275,343 3.296,344 4.602,345 1.674,346 11.801,347 3.232,348 3.993,349 3.25,350 6.263,351 3.702,352 2.761,353 3.487,354 0.8,355 9.293,356 2.594,357 3.849,358 2.856,359 5.796,360 3.437,361 2.458,362 3.206,363 0.8,364 7.765,365 2.394,366 3.408,367 2.609,368 5.148,369 3.244,370 2.317,371 2.45,373 6.238,374 2.146,375 3.113,376 2.254,377 4.835,378 2.751,379 1.81,380 2.28,382 5.058,383 1.688,384 2.94,385 1.817,386 4.566,387 2.533,388 1.583,389 2.118,391 4.451,392 1.501,393 2.807,394 1.714,395 3.787,396 2.398,397 1.406,398 1.865,400 3.02,401 1.393,402 2.3,403 1.433,404 3.65,405 1.984,406 1.035,407 1.245,409 2.391,410 0.971,411 2.077,412 1.146,413 3.414,414 1.967,415 1,416 1,418 2.275,419 0.965,420 2,421 1,422 3.25,423 1.768,424 0.796,425 0.97,427 1.509,428 0.766,429 1.356,430 0.536,431 2.757,432 1.051,433 0.067,434 0.078,436 0.152,437 0.065,438 1.172,439 0.198,440 2.688,441 0.806,442 -0.156,443 -0.183,445 -0.37,446 -0.149,447 0.749,448 0.006,449 2.253,450 0.495,451 -0.46,452 -0.556,454 -0.908,455 -0.437,456 0.664,457 -0.326,458 2,459 0.389,460 -0.609,461 -0.76,463 -1.222,464 -0.6,465 0.539,466 -0.6,467 2,468 0.098,469 -0.908,470 -1,472 -2.22,473 -0.9,474 10.867,475 0.472,476 0.559,477 0.024,478 27.25,479 1.185,480 12,481 0.522,482 15.25,483 0.663,484 20.298,485 0.883,486 25.733,487 0.559,488 19.775,489 0.86,490 5.44,491 0.237,492 5.674,493 0.247,494 0.169,496 0.35,501 0.769,502 1.583,503 0.847,504 1.287,505 0.596,506 1.107,507 1.015,508 0.942,509 0.874,510 0.788,511 0.534,512 0.788,513 1.013,514 1.075,515 0.933,516 0.973,517 0.733,518 0.938,519 1.13,520 1.134,521 0.973,522 1.06,523 1.2,524 0.992,525 1.44,526 0.835,527 1.099,528 0.894,529 1.792,530 0.949,531 0.911,532 1.321,533 1.114,534 1.349,535 0.984,536 1.282,537 1.304,538 0.997,539 1.193,540 1.047,541 1.367,542 1.099,543 1.007,544 0.908,545 1.163,546 1.024,547 1.151,548 1.11,549 4,550 0.041,551 2.889,552 1.938,553 1.84,554 1.104,555 0.565,556 0.26,557 0.225,558 0.076,559 4781,560 10957,561 2.041,562 50,563 3,564 17,569 3,572 1.666,573 1.89,574 3.028,575 -0.772,576 1,577 1,582 68.228,583 1.483,584 3.247,585 4.344,586 4.692,587 4.735,588 4.735,589 2.459,590 4.056,591 4.491,592 3.133,593 792.727,594 7.784,595 8686.4,597 1,599 1,600 254.084,601 1.478,602 4.443,603 0.16,604 0.014,605 0.083,606 0.05,607 0.048,608 0.031,609 0.018,610 0.011,611 0.016,612 0.009,613 0.44,614 0.5,615 1,616 1.226,617 104.72,618 0.013,619 -0.332,620 0.077,621 -0.148,622 -0.023,623 -0.048,624 0.072,625 0.201,626 0.12,627 0.198,628 0.144,629 0.177,630 -0.061,631 0.03,632 0.037,633 0.042,634 0.009,635 0.053,636 -0.072,637 -0.079,638 0.013,639 -0.072,640 0.019,641 -0.019,642 0.03,643 0.181,644 -0.069,645 0.077,646 -0.052,647 -0.002,648 -0.05,649 -0.298,650 -0.172,651 -0.291,652 -0.06,653 -0.258,654 -0.186,655 -0.059,656 -0.199,657 -0.096,658 -0.194,659 -0.142,660 -0.018,661 -0.019,662 -0.18,663 -0.082,664 -0.122,665 -0.148,666 1.932,667 5.49,668 0.696,669 16.919,670 0.996,671 1.132,672 2.837,673 8.046,674 0.642,675 3.258,676 3.584,677 3.892,678 4.19,679 4.466,680 4.543,681 4.663,682 4.736,683 4.762,684 4.635,685 4.963,686 0.604,687 313.44,688 3.258,689 4.796,690 5.659,691 6.553,692 7.442,693 8.346,694 9.247,695 10.156,696 11.062,697 11.973,698 6.5,701 1,704 1,708 1,714 2,715 4,716 1,720 3,722 11,732 1,736 1,741 46,743 12,744 1,745 25,747 48,748 18,749 9,750 2,751 4,752 1,756 3,757 4,763 2,772 10,773 8,777 1,782 1,786 1,789 1,790 1,793 23,794 5,796 5,802 3,808 0.667,809 2,822 1,829 3,833 1,855 1,859 2,864 3,868 23,876 5,878 1,881 2,893 4.3,896 1,898 1,901 12.167,902 9.267,903 5.167,904 2.979,907 2.446,908 1.35,909 0.963,910 4.717,911 9.433,912 3.481,913 4.069,914 4.696,915 5.333,916 5.947,917 6.295,918 6.704,919 7.041,920 7.306,921 7.214,922 0.833,923 39,924 8.542,926 3.553,927 0.026,929 7.63,931 16.584,933 13.449,936 2.13,937 49,940 1,941 270.735,942 97.574,943 23.034,945 36.145,948 97.574,949 306.88,950 23.034,951 26.047,952 13.015,953 37.905,954 49.122,955 28.337,956 2.328,957 270.735,959 270.735,960 120.609,961 36.145,964 235.422,965 71.458,968 35.934,969 67.889,970 16.786,972 270.735,973 59.179,974 97.574,977 270.735,978 33.623,979 70.2,981 52.93,982 270.735,983 59.179,984 97.574,986 0.575,987 0.347,988 0.199,989 0.116,990 17,991 8,992 0.083,993 4,994 1,995 1.125,996 3.358,997 190.059,998 0.125,999 16,1000 100.042,1005 16.067,1006 6.753,1007 3.133,1008 1.705,1009 59.179,1010 7.779,1011 4.826,1015 2.456,1018 427.489,1019 31.5,1024 12.49,1028 -0.265,1031 45.796,1032 52.066,1034 0.269,1035 0.588,1036 0.786,1037 0.849,1038 0.857,1039 0.857,1040 4.725,1041 1.035,1042 5.652,1043 3.02,1044 4.263,1045 4.754,1046 2.143,1047 6.506,1048 4.177,1049 5.925,1050 1,1051 7.238,1052 2.391,1053 3.892,1054 4.663,1055 0.57,1056 7.516,1057 3.779,1058 7.241,1059 0.796,1060 8.93,1061 2.275,1062 5.883,1063 6.994,1064 2.87,1065 10.672,1066 5.728,1067 8.598,1068 0.067,1069 10.685,1070 1.509,1071 6.347,1072 7.775,1073 0.479,1074 12.531,1075 6.179,1076 9.994,1077 -0.156,1078 12.482,1079 0.152,1080 7.82,1081 9.613,1082 3.82,1083 15.222,1084 7.618,1085 11.418,1086 -0.46,1087 14.307,1088 -0.37,1089 8.67,1090 10.796,1091 0.346,1092 17.428,1093 8.461,1094 12.863,1095 -0.609,1096 16.154,1097 -0.908,1098 9.945,1099 12.442,1100 4.828,1101 19.966,1102 9.71,1103 3.296,1104 -0.908,1105 18.016,1106 -1.222,1107 10.975,1108 13.813,1109 0.237,1110 22.318,1111 10.733,1112 2.761,1113 11.801,1114 19.891,1115 -2.22,1116 12.178,1117 15.383,1118 5.851,1119 24.803,1120 11.918,1121 2.458,1122 9.293,1123 21.777,1124 4.602,1125 13.291,1126 16.838,1127 0.158,1128 27.218,1129 13.02,1130 2.317,1131 7.765,1132 23.67,1133 3.487,1134 14.473,1135 18.38,1136 6.88,1137 29.687,1138 14.187,1139 1.81,1140 6.238,1141 25.57,1142 3.206,1143 15.624,1144 19.873,1145 0.104,1146 32.13,1147 15.325,1148 1.583,1149 5.058,1150 27.476,1151 2.45,1152 16.803,1153 21.404,1154 7.91,1155 34.595,1156 16.489,1157 1.406,1158 4.451,1159 29.387,1160 2.28,1161 17.972,1162 22.915,1163 0.068,1164 37.05,1165 17.644,1166 4776,1167 7347,1168 16.414,1169 29.54,1170 37.352,1171 38.35,1172 39.377,1173 37.104,1174 37.055,1175 46.604,1176 6.549,1177 107.907,1178 35.43,1179 5.693,1180 5.73,1181 6.748,1182 5.343,1183 5.296,1184 7.602,1185 3.349,1186 19.42,1187 5.232,1188 11.712,1189 1.494,1190 1.534,1191 1.575,1192 1.484,1193 1.482,1194 1.864,1195 0.262,1196 4.316,1197 1.417,1198 4.103,1199 4.129,1200 4.072,1201 4.026,1202 7.433,1203 4.034,1204 3.806,1205 3.878,1206 3.693,1207 3.621,1208 4.961,1209 3.629,1210 3.59,1211 3.623,1212 3.504,1213 3.444,1214 4.467,1215 3.447,1216 3.476,1217 3.542,1218 3.338,1219 3.278,1220 4.442,1221 3.277,1222 3.219,1223 3.304,1224 3.077,1225 2.987,1226 4.273,1227 3.003,1228 3.111,1229 3.206,1230 2.887,1231 2.941,1232 3.957,1233 2.91,1234 3.091,1235 3.15,1236 2.866,1237 2.859,1238 3.778,1239 2.847,1240 2.993,1241 3.078,1242 2.832,1243 2.819,1244 3.664,1245 2.812,1246 0.188,1247 0.149,1248 0.279,1249 0.171,1250 0.132,1251 4.693,1252 0.184,1253 3.73,1254 0.067,1255 6.979,1256 0.472,1257 4.275,1258 0.129,1259 3.296,1260 4.602,1261 1.674,1262 11.801,1263 3.232,1264 2.053,1265 2.033,1266 2.121,1267 2.148,1268 1.319,1269 2.14,1270 1.761,1271 1.691,1272 1.969,1273 1.976,1274 1.218,1275 1.98,1276 1.552,1277 1.514,1278 1.806,1279 1.762,1280 0.938,1281 1.771,1282 1.463,1283 1.393,1284 1.731,1285 1.657,1286 0.837,1287 1.685,1288 1.178,1289 1.09,1290 1.541,1291 1.461,1292 0.825,1293 1.49,1294 1.153,1295 1.064,1296 1.513,1297 1.376,1298 0.642,1299 1.429,1300 1.051,1301 0.989,1302 1.318,1303 1.317,1304 0.392,1305 1.31,1306 0.981,1307 0.909,1308 1.198,1309 1.207,1310 0.275,1311 1.211,1312 3.932,1314 5.252,1316 6.792,1318 8.439,1320 10.144,1322 5.93,1328 4.222,1330 5.283,1333 4.573,1340 27.762,1341 68.228,1342 149.373,1343 199.819,1344 215.819,1345 217.819,1346 217.819,1347 35.946,1348 6.987,1349 45.67,1350 45.67,1351 18,1352 12.488,1353 3.7,1354 2.907,1355 36.45,1356 69,1357 75,1358 0.274,1359 172.063,1360 295.82,1361 411.595,1362 8617,1364 16.397,1365 0.713,1366 0.609,1367 16.397,1368 14.003,1369 11.113,1370 0.445,1371 0.325,1372 7.987,1373 10.629,1374 7.702,1375 6.409,1376 11.113,1377 8.114,1378 9.83,1379 0.281,1380 0.17,1381 9.83,1382 5.963,1383 8.387,1384 0.175,1385 0.092,1386 8.387,1387 4.393,1388 7.199,1389 0.111,1390 0.047,1391 7.199,1392 3.087,1393 5.937,1394 0.069,1395 0.026,1396 5.937,1397 2.229,1398 0.409,1399 69.846,1400 0.247,1401 21.929,1402 0.822,1403 120,1404 336.406,1405 132.14,1406 320.348,1407 442.07,1408 302,1409 143,1410 326.485,1411 155.699,1412 330.058,1413 489.18,1414 310,1415 5}
{0 CHEMBL372279,1 1.592,2 11.741,3 3.783,4 14.311,5 111.029,6 7.4,7 0.214,8 4.076,9 4.21,10 3.624,11 3.585,12 5.066,13 3.528,14 4.678,15 4.896,16 4.021,17 3.979,18 5.614,19 3.899,20 4.969,21 5.195,22 4.138,23 4.205,24 5.939,25 4.089,26 5.104,27 5.341,28 4.129,29 4.265,30 6.046,31 4.094,32 5.191,33 5.491,34 3.849,35 4.141,36 6.107,37 3.949,38 5.027,39 5.346,40 3.892,41 4.027,42 5.848,43 3.883,44 4.767,45 4.943,46 4.026,47 4.024,48 5.974,49 3.921,50 4.96,51 5.222,52 3.829,53 3.888,54 6.112,55 3.748,56 0.002,57 0.773,58 12.376,59 5.21,60 6.607,61 7.382,62 0.279,63 1.228,64 26.155,65 8.292,66 24.229,67 12.354,68 0.555,69 1.495,70 38.81,71 11.603,72 48.267,73 16.455,74 0.401,75 1.588,76 48.786,77 14.935,78 69.719,79 20.46,80 0.71,81 1.615,82 49.651,83 13.986,84 105.539,85 20.718,86 0.612,87 1.369,88 43.166,89 11.579,90 60.816,91 17.148,92 0.285,93 1.184,94 32.518,95 10.583,96 59.638,97 14.137,98 0.672,99 1.184,100 41.303,101 10.696,102 110.862,103 14.87,104 72,105 39,106 0.267,107 0.5,108 0.69,109 0.744,110 0.756,111 0.774,112 3.339,113 1.092,114 -4.24,115 -4.18,116 -3.95,121 35.7,122 4,123 1,127 5,129 2,144 3,145 1,146 2,160 2,176 3,179 2,180 5,187 10,191 4,192 1,200 6,206 2,214 7,218 2,219 10,227 1,231 2,232 3,244 10,256 15,269 2,281 1101,282 17.206,283 17.206,284 17.206,285 17.206,286 17.206,287 16.117,288 23.98,289 9.921,290 17.747,291 13.724,292 13.724,293 13.724,294 13.724,295 13.724,296 12.006,297 29.371,298 4.632,299 14.661,300 4.216,301 2.83,302 1.702,303 1.375,304 1.304,305 1.197,306 3.996,308 2,311 1,312 1,313 640,314 4.062,318 208.182,325 2.14,326 31.542,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 58.167,338 317,339 4.235,340 3.887,341 6.289,342 3.96,343 3.003,344 3.879,345 2.058,346 9.396,347 2.867,348 4.139,349 3.528,350 6.238,351 3.807,352 2.873,353 3.314,354 1.909,355 9.09,356 2.678,357 3.874,358 3.258,359 6.057,360 3.776,361 2.84,362 2.882,363 0.8,364 8.699,365 2.633,366 3.621,367 3.16,368 5.736,369 3.358,370 2.401,371 2.793,372 0.767,373 7.563,374 2.295,375 3.459,376 2.749,377 4.96,378 3.005,379 2.117,380 2.742,381 0.397,382 5.816,383 1.814,384 2.921,385 2.419,386 4.556,387 2.711,388 1.732,389 2,391 4.701,392 1.694,393 2.828,394 2.151,395 4.414,396 2.706,397 1.715,398 1.87,400 4,401 1.663,402 2.732,403 1.94,404 4.183,405 2.395,406 1.488,407 1.732,409 3.795,410 1.271,411 2.414,412 1.825,413 3.779,414 2.197,415 1.215,416 1.34,418 2.915,419 1.176,420 1.947,421 1.203,422 3.398,423 1.822,424 0.855,425 0.912,427 2.042,428 0.815,429 1.756,430 0.992,431 3.024,432 1.446,433 0.467,434 0.547,436 1.121,437 0.435,438 1.17,439 0.693,440 2.652,441 0.954,447 1.082,448 0.534,449 2.566,450 0.808,451 -0.125,452 -0.149,454 -0.29,455 -0.11,456 0.797,457 0.256,458 2.359,459 0.319,460 -0.514,461 -0.621,463 -1.242,464 -0.293,465 0.677,466 0.181,467 2.237,468 0.273,469 -0.64,470 -0.678,472 -1.781,473 -0.587,474 13.295,475 0.492,476 0.902,477 0.033,478 26.25,479 0.972,480 9,481 0.333,482 17.25,483 0.639,484 31.291,485 1.159,486 31.705,487 0.566,488 19.069,489 0.706,490 4.941,491 0.183,492 7.743,493 0.287,494 0.308,496 0.354,501 0.622,502 1.719,503 0.652,504 1.187,505 0.532,506 1.122,507 0.754,508 1.2,509 0.656,510 0.834,511 0.498,512 0.864,513 1.106,514 0.869,515 0.96,516 0.886,517 1.002,518 0.98,519 0.928,520 1.286,521 0.89,522 1.198,523 1.125,524 1.201,525 0.81,526 0.99,527 0.697,528 0.876,529 0.905,530 0.912,531 0.895,532 0.462,533 0.57,534 0.439,535 0.828,536 0.494,537 1.106,538 1.449,539 1.048,540 1.428,541 1.371,542 1.309,543 1.575,544 1.012,545 0.853,546 0.908,547 2.059,548 0.933,549 7,550 0.083,551 4,552 2.188,553 1.458,554 0.882,555 0.732,556 0.573,557 0.389,558 0.136,559 8456,560 23643,561 1.893,562 51.8,564 15,569 14,572 1.698,573 1.705,574 3.458,575 -0.733,577 1,582 89.137,583 1.592,584 2.977,585 4.106,586 4.432,587 4.503,588 4.611,589 2.954,590 4.029,591 4.725,592 3.708,593 1301.41,594 8.186,595 17437,597 1,599 1,600 325.212,601 1.579,602 4.637,603 0.25,604 0.006,605 0.103,606 0.053,607 0.042,608 0.03,609 0.022,610 0.016,611 0.016,612 0.008,613 0.545,614 0.33,615 1,616 1.503,617 136.088,618 0.001,619 -0.357,620 0.022,621 -0.123,622 -0.026,623 -0.059,624 0.055,625 0.006,626 0.098,627 0.107,628 0.077,629 0.104,630 -0.075,631 0.264,632 -0.077,633 0.065,634 -0.069,635 -0.022,636 -0.019,637 -0.292,638 -0.022,639 -0.197,640 -0.058,641 -0.196,642 0.084,643 -0.079,644 0.05,645 0.001,646 0.062,647 0.017,648 0.019,649 0.45,650 0.219,651 0.416,652 0.037,653 0.418,654 0.042,655 -0.361,656 -0.103,657 -0.374,658 0.067,659 -0.285,660 -0.098,661 -0.129,662 0.014,663 -0.022,664 -0.096,665 -0.032,666 1.68,667 5.495,668 0.444,669 28.733,670 1,671 1.136,672 3.009,673 9.053,674 0.648,675 3.367,676 3.689,677 3.871,678 4.007,679 4.127,680 4.159,681 4.143,682 4.205,683 4.331,684 4.331,685 7.09,686 0.599,687 414.42,688 3.367,689 4.905,690 5.727,691 6.586,692 7.424,693 8.282,694 9.126,695 9.984,696 10.831,697 11.69,698 5.4,701 1,705 2,715 3,720 3,722 6,740 2,741 56,743 8,744 1,745 28,747 57,748 20,749 6,750 3,751 3,756 2,757 2,758 2,763 4,770 3,772 8,773 12,777 2,782 2,786 2,790 1,793 29,794 5,796 7,797 2,802 3,808 1,809 2,829 2,844 2,855 1,859 2,864 4,865 2,868 27,876 6,880 2,881 3,892 2,893 3.6,896 2,901 15.833,902 11.136,903 5.972,904 3.603,907 1.136,908 1.167,909 0.911,910 8.258,911 7.937,912 3.526,913 3.998,914 4.347,915 4.672,916 5.04,917 4.992,918 4.914,919 5.078,920 5.345,921 5.527,922 0.875,923 41,924 10.067,926 4.152,927 0.026,929 7.805,931 19.317,933 15.528,936 2.305,937 62.222,939 1,940 1,941 341.362,942 96.389,943 9.373,944 78.297,945 50.29,948 96.389,949 469.949,950 9.373,951 35.301,952 19.312,953 28.429,954 59.699,955 13.311,957 341.362,958 78.297,959 341.362,960 105.762,961 50.29,962 78.297,964 176.567,965 215.085,968 57.737,969 48.025,970 78.297,972 341.362,973 59.663,974 174.686,977 341.362,978 32.659,979 73.103,981 128.587,982 341.362,983 59.663,984 174.686,986 0.592,987 0.337,988 0.161,989 0.075,990 16,991 10,992 0.14,993 8,995 1,996 3.757,997 211.243,999 12,1000 118.382,1005 22.317,1006 9.991,1007 6.264,1009 59.663,1010 5.334,1015 2.094,1018 575.711,1019 33,1024 24.983,1028 -0.01,1031 55.978,1032 63.615,1034 0.274,1035 0.513,1036 0.707,1037 0.763,1038 0.775,1039 0.794,1040 4.792,1041 1.488,1042 5.74,1043 4,1044 4.369,1045 4.682,1046 2.799,1047 6.526,1048 4.244,1049 5.967,1050 1.215,1051 7.306,1052 3.795,1053 4.111,1054 4.559,1055 2.301,1056 7.42,1057 3.885,1058 7.254,1059 0.855,1060 8.967,1061 2.915,1062 5.958,1063 6.652,1064 3.772,1065 10.432,1066 5.715,1067 8.564,1068 0.467,1069 10.68,1070 2.042,1071 6.431,1072 7.251,1073 3.891,1074 12.068,1075 6.094,1076 9.902,1078 12.424,1079 1.121,1080 7.816,1081 8.925,1082 4.992,1083 14.607,1084 7.454,1085 11.257,1086 -0.125,1087 14.187,1089 8.611,1090 9.849,1091 5.387,1092 16.551,1093 8.165,1094 12.626,1095 -0.514,1096 15.965,1097 -0.29,1098 9.813,1099 11.366,1100 6.301,1101 18.907,1102 9.335,1103 3.003,1104 -0.64,1105 17.753,1106 -1.242,1107 10.756,1108 12.459,1109 6.836,1110 20.991,1111 10.204,1112 2.873,1113 9.396,1114 19.549,1115 -1.781,1116 11.883,1117 13.904,1118 7.652,1119 23.269,1120 11.29,1121 2.84,1122 9.09,1123 21.351,1124 3.879,1125 12.895,1126 15.095,1127 8.263,1128 25.419,1129 12.236,1130 2.401,1131 8.699,1132 23.157,1133 3.314,1134 13.99,1135 16.501,1136 9.027,1137 27.662,1138 13.286,1139 2.117,1140 7.563,1141 24.966,1142 2.882,1143 15.034,1144 17.753,1145 9.681,1146 29.845,1147 14.27,1148 1.732,1149 5.816,1150 26.778,1151 2.793,1152 16.117,1153 19.138,1154 10.417,1155 32.073,1156 15.305,1157 1.715,1158 4.701,1159 28.593,1160 2.742,1161 17.177,1162 20.427,1163 11.094,1164 34.273,1165 16.31,1166 8659,1167 14788,1168 17.224,1169 36.302,1170 41.922,1171 44.084,1172 43.979,1173 41.73,1174 41.412,1175 48.024,1176 11.861,1177 118.276,1178 38.683,1179 5.235,1180 5.887,1181 5.647,1182 5.028,1183 5.003,1184 6.879,1185 3.571,1186 16.084,1187 4.867,1188 19.261,1189 1.497,1190 1.574,1191 1.571,1192 1.49,1193 1.479,1194 1.715,1195 0.424,1196 4.224,1197 1.382,1198 3.965,1199 4.004,1200 4.096,1201 3.898,1202 7.434,1203 3.887,1204 3.865,1205 3.909,1206 3.823,1207 3.685,1208 7.42,1209 3.702,1210 3.766,1211 3.825,1212 3.658,1213 3.572,1214 5.014,1215 3.586,1216 3.453,1217 3.539,1218 3.594,1219 3.299,1220 4.628,1221 3.271,1222 3.433,1223 3.508,1224 3.32,1225 3.263,1226 4.403,1227 3.254,1228 3.236,1229 3.306,1230 3.23,1231 3.077,1232 4.193,1233 3.061,1234 3.167,1235 3.187,1236 3.139,1237 2.933,1238 4.077,1239 2.959,1240 2.883,1241 3.009,1242 3.065,1243 2.803,1244 4.048,1245 2.774,1246 0.151,1247 0.139,1248 0.225,1249 0.141,1250 0.107,1251 4.235,1252 0.139,1253 3.887,1254 0.073,1255 6.289,1256 0.336,1257 3.96,1258 0.102,1259 3.003,1260 3.879,1261 2.058,1262 9.396,1263 2.867,1264 1.915,1265 1.895,1266 2.021,1267 2.047,1268 1.293,1269 2.039,1270 1.802,1271 1.74,1272 1.999,1273 1.979,1274 1.251,1275 1.994,1276 1.71,1277 1.654,1278 1.872,1279 1.913,1280 1.09,1281 1.912,1282 1.492,1283 1.41,1284 1.82,1285 1.694,1286 0.989,1287 1.742,1288 1.419,1289 1.347,1290 1.681,1291 1.632,1292 0.928,1293 1.655,1294 1.241,1295 1.173,1296 1.527,1297 1.449,1298 0.766,1299 1.483,1300 1.083,1301 1.045,1302 1.417,1303 1.342,1304 0.607,1305 1.34,1306 0.934,1307 0.824,1308 1.417,1309 1.239,1310 0.469,1311 1.308,1312 4.043,1314 5.361,1316 6.858,1318 8.438,1320 10.061,1322 8.583,1323 12.102,1328 2.713,1332 0.808,1333 5.616,1340 33.524,1341 89.137,1342 166.736,1343 229.928,1344 248.192,1345 252.192,1346 258.192,1347 79.65,1348 6.801,1349 43.86,1350 43.86,1351 12,1352 12.244,1353 3.17,1354 2.585,1355 58.655,1356 117,1357 107,1358 0.25,1359 218.235,1360 386.74,1361 524.252,1362 7474,1363 3.6,1364 20.137,1365 0.746,1366 0.669,1367 21.137,1368 18.055,1369 12.684,1370 0.453,1371 0.364,1372 9.386,1373 11.641,1374 8.922,1375 7.43,1376 13.262,1377 10.195,1378 11.908,1379 0.305,1380 0.215,1381 12.687,1382 8.385,1383 9.059,1384 0.193,1385 0.118,1386 9.675,1387 5.565,1388 7.037,1389 0.13,1390 0.073,1391 7.733,1392 3.942,1393 4.797,1394 0.079,1395 0.034,1396 5.156,1397 2.096,1398 0.4,1399 85.3,1400 0.241,1401 26.3,1402 0.667,1403 134,1404 388.813,1405 177.044,1406 430.798,1407 551.21,1408 398,1409 153,1410 342.449,1411 186.809,1412 364.602,1413 527.62,1414 341,1415 4.699}
{0 CHEMBL372491,1 1.453,2 12.333,3 3.233,4 10.454,5 120.529,6 6.76,7 0.303,8 4.236,9 4.351,10 3.766,11 3.759,12 5.152,13 3.698,14 4.869,15 5.058,16 4.156,17 4.21,18 5.689,19 4.121,20 5.18,21 5.391,22 4.288,23 4.443,24 6.009,25 4.311,26 5.346,27 5.601,28 4.223,29 4.477,30 6.126,31 4.306,32 5.32,33 5.585,34 4.156,35 4.406,36 6.1,37 4.231,38 5.192,39 5.439,40 4.045,41 4.373,42 5.972,43 4.18,44 5.168,45 5.438,46 3.883,47 4.278,48 5.951,49 4.065,50 4.98,51 5.247,52 3.772,53 4.096,54 5.774,55 3.908,56 0.034,57 0.878,58 16.189,59 6.967,60 8.528,61 9.038,62 0.324,63 1.504,64 32.696,65 11.84,66 21.278,67 15.503,68 0.538,69 1.977,70 45.857,71 16.685,72 37.051,73 22.066,74 0.456,75 2.201,76 53.946,77 19.118,78 47.772,79 25.778,80 0.672,81 2.071,82 55.286,83 18.395,84 56.961,85 24.276,86 0.389,87 1.94,88 49.509,89 17.575,90 42.108,91 23.006,92 0.582,93 1.816,94 46.565,95 16.672,96 61.31,97 22.308,98 0.357,99 1.507,100 38.528,101 13.837,102 40.695,103 18.459,104 21,105 47,106 0.235,107 0.491,108 0.733,109 0.847,110 0.863,111 0.868,112 3.44,113 1.104,114 -0.44,115 -0.57,116 -0.72,121 37.5,123 6,124 1,126 3,127 4,129 1,144 3,145 1,146 2,154 2,159 1,176 7,180 5,187 8,189 2,191 1,192 8,194 1,200 6,203 3,206 5,214 5,216 1,219 6,221 1,227 8,229 1,232 2,239 9,241 2,243 2,244 2,251 6,253 1,255 1,256 5,264 2,266 2,269 5,277 2,281 1450,282 20.394,283 20.394,284 20.394,285 20.394,286 20.394,287 19.217,288 24.104,289 11.828,290 21.154,291 16.154,292 16.154,293 16.154,294 16.154,295 16.154,296 14.092,297 28.845,298 5.442,299 17.217,300 4.547,301 2.959,302 1.462,303 0.754,304 0.66,305 0.629,306 4.135,311 1,312 1,313 800,314 3.536,317 67.744,318 193.761,319 109.682,321 129.601,325 2.022,326 26.114,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 64.5,338 370,339 4.573,340 3.737,341 6.995,342 4.215,343 3.298,344 4.504,345 1.277,346 11.908,347 3.054,348 4.3,349 3.641,350 6.511,351 4.09,352 3.14,353 3.604,354 1.2,355 10.266,356 2.964,357 4.139,358 3.244,359 6.268,360 3.84,361 2.857,362 3.299,363 0.86,364 9.367,365 2.797,366 3.807,367 2.811,368 5.876,369 3.436,370 2.495,371 3.143,372 0.86,373 8.093,374 2.325,375 3.413,376 2.729,377 5.299,378 3.336,379 2.403,380 2.471,381 0.86,382 6.792,383 2.234,384 3.178,385 2.215,386 5.105,387 2.849,388 1.882,389 2.417,391 5.819,392 1.807,393 3.101,394 2.107,395 4.717,396 2.698,397 1.771,398 2.207,400 5.118,401 1.627,402 2.464,403 1.647,404 3.943,405 2.42,406 1.442,407 1.451,409 3.089,410 1.405,411 2.399,412 1.604,413 3.85,414 2.286,415 1.297,416 1.376,418 2.882,419 1.28,420 2.396,421 1.427,422 3.793,423 1.991,424 1.136,425 1.338,427 2.841,428 0.959,429 2.24,430 1.336,431 3.647,432 1.917,433 1,434 1.124,436 2.224,437 0.906,438 2,439 1.313,440 3.294,441 1.866,442 0.867,443 1,445 2.136,446 0.842,447 1.554,448 1.002,449 3.247,450 1.268,451 0.369,452 0.398,454 0.69,455 0.314,456 1.485,457 0.589,458 2.887,459 1.201,460 0.262,461 0.311,463 0.474,464 0.254,465 1.353,466 0.518,467 2.81,468 1.12,469 0.241,470 0.28,472 0.458,473 0.208,474 14.567,475 0.486,476 0.749,477 0.025,478 29.75,479 0.992,480 10.5,481 0.35,482 19.25,483 0.642,484 35.527,485 1.184,486 34.933,487 0.546,488 20.754,489 0.692,490 5.222,491 0.174,492 9.287,493 0.31,494 0.126,495 0.027,496 0.275,501 0.805,502 1.416,503 0.841,504 1.186,505 0.597,506 1.12,507 1.29,508 0.911,509 0.924,510 0.828,511 0.733,512 0.869,513 0.908,514 1.08,515 1,516 1.059,517 0.848,518 1.059,519 0.871,520 1.068,521 0.929,522 1.036,523 1.105,524 1.034,525 1.12,526 0.869,527 1.011,528 0.91,529 1.166,530 0.889,531 0.822,532 1.13,533 1.224,534 1.222,535 1.144,536 1.118,537 0.636,538 1.017,539 1.054,540 1.068,541 1.029,542 1.045,543 0.614,544 1.083,545 1.015,546 1.127,547 0.79,548 1.025,549 7,550 0.203,551 3.556,552 2.604,553 1.931,554 1.015,555 0.757,556 0.438,557 0.373,558 0.149,559 12223,560 25926,561 2.079,562 53.1,563 4,564 21,568 1,569 8,572 1.726,573 1.946,574 3.604,575 -0.792,577 1,582 92.987,583 1.453,584 3.041,585 4.538,586 5.246,587 5.34,588 5.371,589 3.098,590 4.307,591 4.877,592 3.754,593 1633.05,594 8.496,595 22726.6,597 1,600 384,601 1.524,602 4.832,603 0.212,604 0.008,605 0.076,606 0.051,607 0.043,608 0.024,609 0.02,610 0.014,611 0.012,612 0.006,613 0.466,614 0.33,615 1,616 0.812,617 154.892,618 0.018,619 -0.179,620 0.096,621 -0.054,622 0.026,623 -0.008,624 -0.149,625 0.221,626 0.074,627 0.197,628 0.001,629 0.141,630 0.045,631 -0.008,632 -0.006,633 -0.024,634 0.049,635 -0.039,636 -0.011,637 -0.078,638 0.022,639 -0.061,640 -0.002,641 -0.044,642 -0.053,643 0.096,644 0.037,645 0.083,646 -0.03,647 0.079,648 -0.043,649 -0.105,650 -0.105,651 -0.116,652 -0.042,653 -0.091,654 0.12,655 -0.049,656 -0.04,657 -0.049,658 0.08,659 -0.045,660 0.126,661 -0.111,662 0.006,663 -0.096,664 0.147,665 -0.018,666 1.364,667 6.348,668 0.733,669 31.644,670 0.993,671 1.127,672 -0.793,673 0.629,674 0.641,675 3.526,676 3.871,677 4.143,678 4.394,679 4.615,680 4.754,681 4.868,682 4.984,683 4.997,684 5.05,685 7.187,686 0.59,687 432.66,688 3.526,689 5.081,690 5.938,691 6.828,692 7.7,693 8.595,694 9.474,695 10.372,696 11.255,697 12.154,698 1.6,712 1,714 2,715 3,719 1,720 3,722 10,727 1,739 2,741 64,743 11,744 1,745 33,747 67,748 24,749 8,750 4,751 2,752 1,756 4,757 5,767 7,768 1,770 7,772 9,773 15,774 1,777 1,782 1,786 1,793 34,794 4,796 6,797 1,802 1,803 1,807 1,808 0.75,809 4,828 1,829 2,830 1,832 1,858 1,859 3,862 1,864 3,868 30,876 10,878 3,880 2,883 1,888 1,893 6.3,896 1,897 1,898 2,901 15.417,902 12.25,903 6.653,904 4.243,907 2.003,908 1.256,909 0.939,910 7.008,911 9.813,912 3.689,913 4.238,914 4.791,915 5.345,916 5.87,917 6.283,918 6.653,919 7.018,920 6.997,921 7.006,922 1,923 51,924 11.224,926 4.774,927 0.026,929 7.517,931 22.324,933 19.083,936 2.017,937 60.5,941 400.217,942 136.283,945 58.145,947 31.278,948 105.005,949 458.362,951 30.162,952 26.117,953 28.429,954 41.278,955 35.06,956 2.104,957 431.495,959 400.217,960 105.005,961 58.145,962 31.278,964 306.049,965 141.314,966 11,968 26.117,969 78.889,971 31.278,972 400.217,973 58.145,974 136.283,977 400.217,978 77.692,979 58.591,981 58.145,982 400.217,983 58.145,984 136.283,986 0.582,987 0.348,988 0.185,989 0.1,990 23,991 10,992 0.09,993 6,994 1,995 1.091,996 4.105,997 269.686,998 0.091,999 22,1000 147.207,1001 1,1005 22.04,1006 9.539,1007 5.025,1008 2.115,1009 58.145,1010 5.965,1014 1.573,1015 2.268,1018 594.645,1019 39,1024 13.348,1028 0.302,1031 63.567,1032 72.107,1034 0.242,1035 0.507,1036 0.756,1037 0.874,1038 0.89,1039 0.895,1040 4.966,1041 1.442,1042 5.953,1043 5.118,1044 4.554,1045 4.924,1046 2.363,1047 6.806,1048 4.437,1049 6.159,1050 1.297,1051 7.544,1052 3.089,1053 4.29,1054 4.868,1055 0.931,1056 7.972,1057 4.103,1058 7.482,1059 1.136,1060 9.241,1061 2.882,1062 6.236,1063 7.096,1064 2.465,1065 10.982,1066 6.009,1067 8.841,1068 1,1069 11.001,1070 2.841,1071 6.792,1072 7.882,1073 1.241,1074 12.942,1075 6.481,1076 10.235,1077 0.867,1078 12.802,1079 2.224,1080 8.228,1081 9.638,1082 2.716,1083 15.53,1084 7.88,1085 11.65,1086 0.369,1087 14.63,1088 2.136,1089 9.13,1090 10.795,1091 1.521,1092 17.785,1093 8.697,1094 13.082,1095 0.262,1096 16.477,1097 0.69,1098 10.384,1099 12.384,1100 3.058,1101 20.259,1102 9.906,1103 3.298,1104 0.241,1105 18.338,1106 0.474,1107 11.435,1108 13.719,1109 1.818,1110 22.628,1111 10.875,1112 3.14,1113 11.908,1114 20.209,1115 0.458,1116 12.625,1117 15.247,1118 3.455,1119 25.076,1120 12.01,1121 2.857,1122 10.266,1123 22.089,1124 4.504,1125 13.74,1126 16.667,1127 2.132,1128 27.494,1129 13.047,1130 2.495,1131 9.367,1132 23.977,1133 3.604,1134 14.911,1135 18.173,1136 3.885,1137 29.941,1138 14.155,1139 2.403,1140 8.093,1141 25.869,1142 3.299,1143 16.055,1144 19.635,1145 2.46,1146 32.382,1147 15.222,1148 1.882,1149 6.792,1150 27.768,1151 3.143,1152 17.222,1153 21.136,1154 4.334,1155 34.835,1156 16.32,1157 1.771,1158 5.819,1159 29.67,1160 2.471,1161 18.38,1162 22.618,1163 2.798,1164 37.287,1165 17.403,1166 11637,1167 17187,1168 21.959,1169 41.034,1170 49.351,1171 50.894,1172 51.103,1173 48.885,1174 48.924,1175 57.843,1176 10.115,1177 144.313,1178 45.951,1179 5.573,1180 5.737,1181 6.797,1182 5.337,1183 5.298,1184 7.504,1185 2.555,1186 18.911,1187 5.054,1188 14.368,1189 1.495,1190 1.542,1191 1.549,1192 1.481,1193 1.483,1194 1.753,1195 0.307,1196 4.373,1197 1.392,1198 4.104,1199 4.114,1200 4.341,1201 4.114,1202 7.426,1203 4.065,1204 3.964,1205 4.016,1206 3.861,1207 3.804,1208 4.968,1209 3.806,1210 3.783,1211 3.83,1212 3.667,1213 3.64,1214 4.626,1215 3.635,1216 3.595,1217 3.633,1218 3.586,1219 3.441,1220 4.528,1221 3.441,1222 3.429,1223 3.472,1224 3.375,1225 3.274,1226 4.496,1227 3.261,1228 3.291,1229 3.367,1230 3.098,1231 3.134,1232 4.324,1233 3.11,1234 3.249,1235 3.314,1236 3.075,1237 2.975,1238 3.902,1239 2.97,1240 3.147,1241 3.229,1242 2.947,1243 2.967,1244 3.749,1245 2.955,1246 0.139,1247 0.113,1248 0.212,1249 0.128,1250 0.1,1251 4.573,1252 0.136,1253 3.737,1254 0.039,1255 6.995,1256 0.361,1257 4.215,1258 0.093,1259 3.298,1260 4.504,1261 1.277,1262 11.908,1263 3.054,1264 1.909,1265 1.903,1266 2.071,1267 2.083,1268 1.451,1269 2.082,1270 1.864,1271 1.805,1272 1.984,1273 1.988,1274 1.356,1275 1.985,1276 1.783,1277 1.752,1278 1.951,1279 1.916,1280 1.299,1281 1.936,1282 1.702,1283 1.634,1284 1.946,1285 1.908,1286 1.14,1287 1.927,1288 1.429,1289 1.413,1290 1.591,1291 1.559,1292 0.917,1293 1.575,1294 1.243,1295 1.178,1296 1.574,1297 1.519,1298 0.732,1299 1.536,1300 1.22,1301 1.162,1302 1.568,1303 1.474,1304 0.673,1305 1.512,1306 1.183,1307 1.105,1308 1.493,1309 1.415,1310 0.581,1311 1.463,1312 4.205,1314 5.541,1315 2.398,1316 7.066,1317 4.844,1318 8.671,1319 7.018,1320 10.318,1322 5.632,1328 10.917,1330 16.831,1332 0.512,1335 1.037,1340 37.76,1341 92.987,1342 194.645,1343 290.451,1344 335.735,1345 341.735,1346 343.735,1347 58.801,1348 7.81,1349 44.76,1350 73,1351 24,1352 12.68,1353 3.585,1354 2.807,1355 47.204,1356 130,1357 127,1358 0.178,1359 232.15,1360 405.31,1361 558.206,1362 27581,1364 21.14,1365 0.705,1366 0.644,1367 21.493,1368 19.316,1369 14.509,1370 0.44,1371 0.368,1372 11.212,1373 13.417,1374 10.825,1375 8.964,1376 14.918,1377 12.142,1378 13.129,1379 0.279,1380 0.222,1381 13.771,1382 10.435,1383 11.271,1384 0.182,1385 0.132,1386 12.093,1387 8.172,1388 9.225,1389 0.115,1390 0.079,1391 10.126,1392 6.332,1393 7.383,1394 0.074,1395 0.048,1396 8.238,1397 4.751,1398 0.282,1399 95.635,1400 0.213,1401 28.46,1402 0.479,1403 160,1404 412.135,1405 199.469,1406 401.929,1407 547.01,1408 380,1409 189,1410 375.987,1411 228.562,1412 395.986,1413 582.01,1414 370,1415 7.552}
{0 CHEMBL372710,1 1.581,2 21.073,3 7.946,4 63.134,5 163.769,6 7.968,7 0.409,8 4.396,9 4.498,10 4.012,11 3.952,12 5.489,13 3.924,14 4.94,15 5.102,16 4.372,17 4.328,18 6.033,19 4.275,20 5.188,21 5.38,22 4.496,23 4.457,24 6.257,25 4.367,26 5.238,27 5.467,28 4.291,29 4.4,30 6.225,31 4.293,32 5.166,33 5.385,34 4.221,35 4.364,36 6.146,37 4.261,38 5.199,39 5.431,40 4.245,41 4.382,42 6.164,43 4.263,44 5.183,45 5.416,46 4.237,47 4.355,48 6.149,49 4.226,50 5.109,51 5.348,52 4.155,53 4.286,54 6.046,55 4.145,56 0.052,57 0.975,58 14.199,59 7.182,60 8.798,61 8.941,62 0.458,63 1.572,64 29.571,65 11.965,66 40.431,67 15.279,68 0.637,69 1.859,70 47.914,71 16.36,72 70.323,73 20.617,74 0.73,75 1.933,76 48.835,77 16.773,78 81.148,79 21.84,80 0.597,81 1.85,82 42.754,83 15.466,84 66.857,85 20.14,86 0.659,87 1.906,88 44.94,89 16.387,90 73.895,91 21.795,92 0.805,93 1.85,94 45.673,95 16.013,96 82.591,97 20.976,98 0.56,99 1.72,100 41.831,101 15.215,102 67.239,103 20.319,104 40,105 59,106 0.244,107 0.553,108 0.753,109 0.875,110 0.907,111 0.907,112 3.74,113 0.982,114 -5.47,115 -5.35,116 -5,121 42.7,123 5,126 2,127 3,137 1,140 1,144 10,145 3,146 5,159 1,161 1,176 14,179 1,180 11,183 2,187 16,191 1,192 11,200 13,205 1,206 13,211 2,214 10,218 1,219 8,224 2,227 12,231 1,232 7,237 1,239 14,243 1,244 5,247 1,251 14,255 1,256 6,264 14,269 5,274 1,277 11,281 3968,282 27.593,283 27.593,284 27.593,285 27.593,286 27.593,287 24.925,288 29.548,289 16.631,290 28.347,291 21.683,292 21.683,293 21.683,294 21.683,295 21.683,296 17.499,297 34.797,298 7.952,299 22.972,300 4.648,301 2.637,302 1.343,303 0.547,304 0.34,305 0.34,306 4.434,308 2,313 1840,314 4.796,317 118.516,318 470.877,321 212.801,325 3.148,326 41.625,329 0.5,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.7,337 88.667,338 864,339 4.529,340 3.728,341 6.694,342 4.168,343 3.189,344 4.136,345 2.186,346 10.796,347 3.125,348 4.222,349 3.66,350 5.958,351 3.743,352 2.827,353 3.885,354 0.916,355 8.379,356 2.661,357 4.105,358 3.309,359 5.681,360 3.723,361 2.761,362 3.688,363 0.86,364 7.996,365 2.605,366 3.888,367 2.984,368 5.649,369 3.448,370 2.504,371 3.328,372 0.86,373 7.543,374 2.344,375 3.672,376 2.942,377 5.296,378 3.38,379 2.451,380 2.9,381 0.366,382 6.815,383 2.261,384 3.573,385 2.632,386 5.29,387 3.155,388 2.222,389 2.886,390 0.172,391 6.68,392 2.056,393 3.378,394 2.619,395 5.06,396 3.123,397 2.167,398 2.515,400 5.719,401 1.976,402 3.224,403 2.432,404 4.862,405 2.865,406 1.887,407 2.432,409 5.594,410 1.836,411 3.09,412 2.172,413 4.74,414 2.791,415 1.82,416 2.175,418 4.921,419 1.734,420 3.026,421 2.15,422 4.585,423 2.709,424 1.736,425 2.16,427 4.814,428 1.676,429 2.824,430 2.011,431 4.042,432 2.611,433 1.669,434 1.948,436 3.679,437 1.548,438 2.82,439 1.842,440 3.857,441 2.357,442 1.414,443 1.833,445 3.524,446 1.34,447 2.658,448 1.545,449 3.59,450 2.306,451 1.384,452 1.725,454 2.894,455 1.198,456 2.499,457 1.4,458 3.517,459 2.179,460 1.187,461 1.442,463 2.606,464 1.175,465 2.39,466 1.278,467 3.473,468 1.918,469 0.929,470 1.28,472 2.207,473 0.905,474 19.895,475 0.485,476 0.941,477 0.023,478 49.75,479 1.213,480 24,481 0.585,482 25.75,483 0.628,484 39.989,485 0.975,486 44.905,487 0.599,488 40.343,489 0.984,490 9.777,491 0.238,492 10.04,493 0.245,494 0.156,496 0.297,501 0.726,502 1.298,503 0.63,504 1.047,505 0.57,506 0.961,507 0.819,508 0.994,509 0.711,510 0.898,511 0.532,512 0.902,513 0.986,514 1.061,515 0.829,516 0.993,517 0.756,518 0.982,519 1.016,520 0.954,521 0.836,522 0.901,523 0.957,524 0.914,525 0.996,526 1,527 0.81,528 0.947,529 0.956,530 0.977,531 0.744,532 1.017,533 0.722,534 0.966,535 0.757,536 0.98,537 0.866,538 0.907,539 0.78,540 0.909,541 0.848,542 0.975,543 0.722,544 1.038,545 0.757,546 0.977,547 0.677,548 1.014,549 8.5,550 0.201,551 3.556,552 3.014,553 1.649,554 1.216,555 0.773,556 0.602,557 0.373,558 0.217,559 36871,560 112121,561 2.035,562 45.3,563 6,564 23,567 1,569 4,572 1.795,573 1.907,574 4.315,575 -0.4,582 118.578,583 1.581,584 3.592,585 4.886,586 5.682,587 5.889,588 5.889,589 3.753,590 5.211,591 5.331,592 4.532,593 3716.26,594 9.351,595 77593.5,600 467.161,601 1.392,602 5.288,603 0.193,604 0.006,605 0.06,606 0.051,607 0.032,608 0.024,609 0.016,610 0.013,611 0.009,612 0.006,613 0.411,614 0.17,615 0.63,616 0.928,617 245.396,618 -0.023,619 -0.13,620 0.025,621 -0.062,622 -0.024,623 -0.009,624 0.073,625 0.116,626 0.053,627 0.057,628 0.129,629 0.044,630 0.015,631 -0.067,632 0.091,633 -0.004,634 0.09,635 -0.001,636 -0.031,637 0.019,638 0.034,639 0.058,640 0.009,641 0.069,642 -0.068,643 0.002,644 -0.02,645 0.003,646 -0.04,647 -0.003,648 0.076,649 -0.033,650 0.066,651 -0.008,652 0.062,653 0.015,654 0.042,655 0.074,656 0.057,657 0.048,658 0.013,659 0.012,660 0.063,661 -0.065,662 0.087,663 -0.008,664 0.071,665 -0.008,666 2.137,667 5.728,668 0.512,669 67.374,670 1.007,671 1.12,672 4.245,673 18.02,674 0.679,675 3.807,676 4.094,677 4.304,678 4.522,679 4.71,680 4.771,681 4.875,682 4.99,683 4.984,684 5.024,685 12.123,686 0.643,687 597.58,688 3.807,689 5.333,690 6.155,691 7.009,692 7.85,693 8.714,694 9.566,695 10.436,696 11.296,697 12.172,698 2.7,701 1,705 1,715 10,720 8,722 18,727 1,737 1,739 2,740 2,741 75,743 21,744 3,745 44,747 78,748 32,749 18,750 8,751 10,752 3,756 4,757 5,758 2,770 5,772 22,773 10,777 3,782 2,784 1,786 3,793 34,794 7,795 1,796 9,797 2,802 2,808 0.75,809 5,828 1,829 3,832 1,849 2,855 1,859 3,864 2,865 2,868 41,876 8,877 1,878 3,881 1,892 2,893 6.7,896 2,898 3,901 21.5,902 13.986,903 9.194,904 4.645,907 3.739,908 1.448,909 0.959,910 11.66,911 12.088,912 4.043,913 4.58,914 5.08,915 5.592,916 6.108,917 6.32,918 6.629,919 6.979,920 7.213,921 7.53,922 0.929,923 59,924 15.169,926 6.311,927 0.026,929 7.782,931 28.93,933 23.149,936 2.282,937 93.556,941 388.446,942 191.936,943 21.135,944 78.297,945 83.29,948 191.936,949 550.033,950 21.135,951 16.793,952 39.487,953 104.239,954 60.667,955 68.412,956 6.763,957 388.446,958 78.297,959 388.446,960 213.071,961 83.29,962 78.297,964 341.362,965 130.374,968 42.612,969 155.739,970 93.017,972 388.446,973 104.425,974 270.233,977 388.446,978 70.904,979 124.156,980 18.011,981 161.587,982 388.446,983 104.425,984 270.233,986 0.572,987 0.322,988 0.163,989 0.089,990 24,991 12,992 0.179,993 14,994 1,995 1.095,996 5.361,997 365.264,998 0.095,999 21,1000 219.66,1005 31.074,1006 15.384,1007 9.317,1009 104.425,1010 18.056,1015 4.937,1017 18.011,1018 763.104,1019 56,1024 24.137,1026 1.658,1028 -0.404,1031 75.509,1032 83.99,1034 0.254,1035 0.577,1036 0.784,1037 0.912,1038 0.945,1039 0.945,1040 5.27,1041 1.887,1042 6.12,1043 5.719,1044 4.779,1045 5.268,1046 2.639,1047 6.872,1048 4.671,1049 6.452,1050 1.82,1051 7.643,1052 5.594,1053 4.29,1054 5.017,1055 1.847,1056 7.633,1057 4.09,1058 7.739,1059 1.736,1060 9.263,1061 4.921,1062 6.319,1063 7.376,1064 3.582,1065 10.717,1066 6.124,1067 9.059,1068 1.669,1069 10.939,1070 4.814,1071 6.635,1072 7.915,1073 3.603,1074 12.326,1075 6.361,1076 10.41,1077 1.414,1078 12.653,1079 3.679,1080 8.125,1081 9.772,1082 4.922,1083 14.932,1084 7.858,1085 11.784,1086 1.384,1087 14.394,1088 3.524,1089 8.84,1090 10.695,1091 5.291,1092 16.945,1093 8.518,1094 13.176,1095 1.187,1096 16.156,1097 2.894,1098 10.105,1099 12.328,1100 6.39,1101 19.385,1102 9.784,1103 3.189,1104 0.929,1105 17.936,1106 2.606,1107 11.026,1108 13.456,1109 6.93,1110 21.593,1111 10.67,1112 2.827,1113 10.796,1114 19.732,1115 2.207,1116 12.198,1117 14.977,1118 7.902,1119 23.98,1120 11.838,1121 2.761,1122 8.379,1123 21.54,1124 4.136,1125 13.223,1126 16.219,1127 8.539,1128 26.279,1129 12.841,1130 2.504,1131 7.996,1132 23.36,1133 3.885,1134 14.361,1135 17.679,1136 9.436,1137 28.652,1138 13.972,1139 2.451,1140 7.543,1141 25.19,1142 3.688,1143 15.44,1144 18.987,1145 10.13,1146 30.992,1147 15.036,1148 2.222,1149 6.815,1150 27.029,1151 3.328,1152 16.57,1153 20.416,1154 10.981,1155 33.364,1156 16.157,1157 2.167,1158 6.68,1159 28.876,1160 2.9,1161 17.678,1162 21.761,1163 11.71,1164 35.724,1165 17.252,1166 35248,1167 61954,1168 29.126,1169 50.943,1170 64.095,1171 67.244,1172 66.154,1173 63.977,1174 63.75,1175 80.463,1176 10.723,1177 175.503,1178 60.031,1179 5.493,1180 5.728,1181 6.585,1182 5.252,1183 5.189,1184 7.136,1185 3.889,1186 17.881,1187 5.125,1188 23.292,1189 1.457,1190 1.528,1191 1.504,1192 1.454,1193 1.449,1194 1.829,1195 0.244,1196 3.989,1197 1.364,1198 4.036,1199 4.045,1200 4.126,1201 3.956,1202 7.435,1203 3.961,1204 3.94,1205 3.968,1206 3.959,1207 3.856,1208 7.427,1209 3.856,1210 3.88,1211 3.893,1212 3.878,1213 3.831,1214 5.052,1215 3.827,1216 3.769,1217 3.827,1218 3.623,1219 3.642,1220 4.906,1221 3.626,1222 3.609,1223 3.673,1224 3.526,1225 3.42,1226 4.814,1227 3.422,1228 3.524,1229 3.585,1230 3.465,1231 3.334,1232 4.58,1233 3.34,1234 3.458,1235 3.486,1236 3.403,1237 3.216,1238 4.49,1239 3.257,1240 3.332,1241 3.398,1242 3.39,1243 3.152,1244 4.33,1245 3.145,1246 0.103,1247 0.085,1248 0.152,1249 0.095,1250 0.072,1251 4.529,1252 0.094,1253 3.728,1254 0.05,1255 6.694,1256 0.245,1257 4.168,1258 0.071,1259 3.189,1260 4.136,1261 2.186,1262 10.796,1263 3.125,1264 1.912,1265 1.895,1266 2.052,1267 2.028,1268 1.392,1269 2.035,1270 1.908,1271 1.885,1272 2.008,1273 1.978,1274 1.209,1275 1.984,1276 1.865,1277 1.852,1278 1.967,1279 1.96,1280 1.113,1281 1.972,1282 1.773,1283 1.713,1284 1.94,1285 1.919,1286 1.101,1287 1.934,1288 1.576,1289 1.508,1290 1.831,1291 1.794,1292 1.051,1293 1.805,1294 1.425,1295 1.422,1296 1.692,1297 1.726,1298 0.855,1299 1.716,1300 1.404,1301 1.336,1302 1.658,1303 1.598,1304 0.683,1305 1.618,1306 1.346,1307 1.266,1308 1.487,1309 1.562,1310 0.664,1311 1.543,1312 4.489,1314 5.784,1315 2.398,1316 7.255,1317 4.844,1318 8.811,1319 7.018,1320 10.417,1322 3.635,1323 12.058,1328 7.817,1329 2.452,1330 16.937,1333 2.272,1340 48.227,1341 118.578,1342 269.416,1343 366.458,1344 426.142,1345 441.652,1346 441.652,1347 95.545,1348 8.349,1349 81.01,1350 81.01,1351 23,1352 12.715,1353 4.459,1354 3.7,1355 77.212,1356 308,1357 275,1358 0.117,1359 303.259,1360 544.71,1361 731.711,1362 70086,1363 2.7,1364 29.192,1365 0.712,1366 0.604,1367 30.192,1368 24.764,1369 19.817,1370 0.45,1371 0.327,1372 13.535,1373 18.546,1374 13.123,1375 10.929,1376 20.394,1377 14.409,1378 17.515,1379 0.297,1380 0.182,1381 18.256,1382 10.727,1383 14.136,1384 0.194,1385 0.101,1386 15.051,1387 7.34,1388 11.061,1389 0.122,1390 0.052,1391 11.463,1392 4.777,1393 8.677,1394 0.079,1395 0.029,1396 9.046,1397 3.182,1398 0.2,1399 130.203,1400 0.185,1401 38.54,1402 0.285,1403 206,1404 649.062,1405 256.782,1406 674.406,1407 889.55,1408 628,1409 235,1410 597.167,1411 281.452,1412 620.251,1413 904.74,1414 581,1415 5.097}
{0 CHEMBL372716,1 1.685,2 5.714,3 2.444,4 5.973,5 59.986,6 11.115,7 0.667,8 3.118,9 3.15,10 3.172,11 2.985,12 4.39,13 2.877,14 3.532,15 3.573,16 3.42,17 3.294,18 4.826,19 3.177,20 3.607,21 3.704,22 3.209,23 3.049,24 5.246,25 2.977,26 3.531,27 3.617,28 3.347,29 2.895,30 5.186,31 2.889,32 3.326,33 3.384,34 3.148,35 2.774,36 4.909,37 2.722,38 3.055,39 3.165,40 2.818,41 2.756,42 4.174,43 2.546,44 3.018,45 3.204,46 2.777,47 2.649,48 3.762,49 2.243,50 2.135,51 2.44,52 0.498,53 1.28,54 2.539,55 0.888,56 0.035,57 0.178,58 1.007,59 1.453,60 6.153,61 1.591,62 0.071,63 0.317,64 7.082,65 3.292,66 13.682,67 2.855,68 0.188,69 0.357,70 5.876,71 3.246,72 38.477,73 3.213,74 0.216,75 0.36,76 6.471,77 3.384,78 36.571,79 2.467,80 0.211,81 0.285,82 4.203,83 2.665,84 40.055,85 1.449,86 0.075,87 0.204,88 1.854,89 1.809,90 13.14,91 1.821,92 0.064,93 0.285,94 12.516,95 3.87,96 7.456,97 3.224,98 0.039,99 0.131,100 5.893,101 1.674,102 5.881,103 1.68,104 5,105 20,106 0.351,107 0.55,108 0.649,109 0.691,110 0.691,111 0.691,112 2.733,113 1.162,114 -2.78,115 -2.79,116 -2.71,121 50,144 2,145 2,153 4,159 2,176 2,180 2,187 4,191 1,192 4,200 1,206 4,214 2,219 2,227 3,239 2,251 1,281 172,282 9.466,283 9.466,284 9.466,285 9.466,286 9.466,287 8.103,288 1.747,289 5.695,290 9.84,291 7.369,292 7.369,293 7.369,294 7.369,295 7.369,296 5.293,297 0.589,298 2.673,299 7.862,300 2.636,301 1.675,302 1.2,303 1,304 1,305 1,306 3.367,311 1,312 1,313 168,314 2.646,317 79.649,325 0.898,326 18.264,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 30,338 80,339 4.389,340 3.837,341 6.527,342 4.069,343 3.042,344 3.928,346 10.025,347 3.12,348 3.941,349 2.987,350 5.707,351 3.493,352 2.521,353 3.52,355 7.59,356 2.453,357 3.365,358 2.205,359 4.617,360 2.794,361 1.858,362 2.698,364 4.624,365 1.719,366 2.784,367 2.148,368 3.696,369 2.169,370 1.284,371 1.837,373 2.828,374 1.099,375 2.305,376 1.038,377 3.228,378 1.693,379 0.792,380 1.167,382 1.863,383 0.688,384 2.118,385 1.032,386 3,387 1.509,388 0.618,389 0.927,391 1.372,392 0.534,393 2.118,394 0.618,395 3,396 1.496,397 0.618,398 0.927,400 1.372,401 0.529,402 2.055,403 0.618,404 2.735,405 1.334,406 0.272,407 0.467,409 0.608,410 0.281,411 0.365,412 -0.256,413 2,414 -0.13,415 -1.194,416 -1.659,418 -2.744,419 -1.075,420 0.181,421 -0.98,422 1.458,423 -0.274,424 -1.231,425 -1.706,427 -2.828,428 -1.079,429 -0.084,430 -1.425,431 1.226,432 -0.57,433 -1.497,434 -2,436 -3.633,437 -1.482,438 -0.118,439 -1.618,440 1,441 -0.656,442 -1.618,443 -2.427,445 -4.372,446 -1.538,447 -0.118,448 -1.618,449 1,450 -0.674,451 -1.618,452 -2.427,454 -4.372,455 -1.57,456 -0.461,457 -1.787,458 0.404,459 -0.976,460 -1.846,461 -2.618,463 -5.198,464 -1.75,465 -0.841,466 -2,467 0.403,468 -1.078,469 -2,470 -2.633,472 -7.135,473 -1.928,474 7.333,475 0.524,476 0.298,477 0.021,478 19,479 1.357,480 11,481 0.786,482 8,483 0.571,484 8.096,485 0.578,486 13.667,487 0.683,488 10.648,489 0.761,490 3.594,491 0.257,492 3.194,493 0.228,494 0.091,496 0.273,501 0.495,502 0.684,503 0.692,504 0.663,505 0.51,506 0.664,507 0.694,508 1.058,509 1.248,510 1.176,511 0.65,512 1.007,513 0.875,514 1.187,515 0.817,516 1.004,517 0.843,518 1.137,519 1.874,520 0.904,521 0.623,522 0.791,523 1.976,524 0.663,525 2.122,526 0.848,527 0.877,528 0.84,529 2.269,530 0.842,531 0.714,532 0.882,533 1.004,534 0.841,535 0.684,536 1.171,537 0.224,538 1.33,539 1.73,540 1.573,541 0.092,542 1.534,543 0.217,544 1.215,545 1.667,546 1.514,547 0.072,548 1.368,549 2,551 1.778,552 0.806,553 0.64,554 0.222,555 0.059,559 1301,560 5245,561 2.034,562 30,564 2,565 4,572 1.51,573 1.909,574 2.634,575 -0.696,579 1,582 33.71,583 1.685,584 2.646,585 3.122,586 3.322,587 3.322,588 3.322,589 1.95,590 2.236,591 3.784,592 2.683,593 244.148,594 6.309,595 1911.6,597 1,600 86.439,601 1.379,602 3.74,603 0.133,605 0.089,606 0.05,607 0.04,608 0.019,609 0.007,613 0.338,614 0.83,615 1,616 0.673,617 52.519,618 -0.012,619 0.069,620 0.023,621 0.079,622 -0.045,623 0.055,624 -0.077,625 -0.223,626 -0.33,627 -0.28,628 -0.043,629 -0.208,630 0.206,631 -0.299,632 -0.096,633 -0.222,634 0.263,635 -0.255,636 -0.198,637 0.099,638 0.185,639 0.097,640 -0.23,641 0.227,642 -0.416,643 0.143,644 -0.051,645 0.067,646 -0.492,647 -0.032,648 -0.143,649 0.021,650 -0.072,651 0.08,652 -0.154,653 -0.212,654 0.105,655 -0.157,656 -0.022,657 -0.096,658 0.133,659 -0.138,660 0.226,661 0.092,662 -0.054,663 -0.079,664 0.261,665 0.379,666 2.093,667 4.566,668 0.714,669 5.959,670 1.023,671 1.075,672 1.55,673 2.402,674 0.824,675 2.773,676 3.045,677 3.296,678 3.434,679 3.219,680 3.219,681 3.045,682 2.833,683 2.565,684 2.197,685 3.749,686 0.769,687 222.3,688 2.773,689 4.263,690 5.094,691 5.938,692 6.783,693 7.632,694 8.481,695 9.331,696 10.182,697 11.033,715 6,719 2,720 2,722 10,727 2,741 20,743 12,745 15,747 21,748 10,749 8,752 2,756 2,757 2,772 10,777 2,782 2,786 2,793 6,794 2,796 4,797 2,808 1,809 2,828 2,859 2,862 2,868 14,888 2,893 10,896 2,901 7.333,902 3.667,903 3.167,904 1.049,907 1.636,908 1.305,909 0.989,910 2.753,911 7.001,912 3.135,913 3.676,914 4.259,915 4.702,916 4.582,917 4.862,918 4.808,919 4.808,920 4.925,921 4.925,922 0.75,923 16,924 5.185,925 0.002,926 2.228,927 0.026,929 8.095,931 9.574,932 0.001,933 7.665,934 -0.001,936 2.595,937 36.333,938 0.004,941 70.627,942 128.742,945 50.29,947 62.555,948 66.187,949 120.916,953 49.549,954 60.557,955 6.371,956 47.084,957 86.098,959 70.627,960 66.187,961 50.29,962 62.555,964 70.627,965 50.29,969 66.187,971 62.555,972 70.627,973 50.29,974 128.742,977 70.627,978 79.193,979 49.549,981 50.29,982 70.627,983 50.29,984 128.742,986 0.573,987 0.348,988 0.178,989 0.062,990 10,991 4,992 0.143,993 3,995 1,996 2.662,997 85.605,999 10,1000 39.303,1001 2,1005 9.564,1006 4.031,1007 1.941,1009 50.29,1010 10.274,1014 2.824,1015 0.956,1018 249.659,1019 22,1024 23.132,1028 -0.853,1031 20.458,1032 21.504,1034 0.39,1035 0.612,1036 0.722,1037 0.769,1038 0.769,1039 0.769,1040 4.311,1041 0.272,1042 5.056,1043 1.372,1044 3.714,1045 4.357,1047 5.832,1048 3.642,1049 5.504,1050 -1.194,1051 6.603,1052 0.608,1053 3.219,1054 3.951,1056 6.706,1057 3.311,1058 6.79,1059 -1.231,1060 8.261,1061 -2.744,1062 5.263,1063 6.487,1065 9.815,1066 5.22,1067 8.122,1068 -1.497,1069 9.986,1070 -2.828,1071 5.707,1072 7.062,1074 11.536,1075 5.803,1076 9.49,1077 -1.618,1078 11.753,1079 -3.633,1080 7.133,1081 8.879,1083 14.142,1084 7.164,1085 10.882,1086 -1.618,1087 13.548,1088 -4.372,1089 7.958,1090 9.869,1092 16.172,1093 8.086,1094 12.292,1095 -1.846,1096 15.361,1097 -4.372,1098 9.173,1099 11.413,1101 18.61,1102 9.283,1103 3.042,1104 -2,1105 17.186,1106 -5.198,1107 10.155,1108 12.594,1110 20.777,1111 10.333,1112 2.521,1113 10.025,1114 19.02,1115 -7.135,1116 11.296,1117 14.025,1119 23.144,1120 11.481,1121 1.858,1122 7.59,1123 20.861,1124 3.928,1125 12.346,1126 15.297,1128 25.378,1129 12.58,1130 1.284,1131 4.624,1132 22.708,1133 3.52,1134 13.462,1135 16.681,1137 27.713,1138 13.715,1139 0.792,1140 2.828,1141 24.558,1142 2.698,1143 14.542,1144 17.995,1146 29.981,1147 14.834,1148 0.618,1149 1.863,1150 26.412,1151 1.837,1152 15.65,1153 19.36,1155 32.3,1156 15.967,1157 0.618,1158 1.372,1159 28.27,1160 1.167,1161 16.744,1162 20.696,1164 34.586,1165 17.096,1166 1339,1167 2760,1168 9.94,1169 16.489,1170 22.684,1171 23.848,1172 22.353,1173 21.965,1174 22.009,1175 30.941,1177 60.568,1178 20.845,1179 5.23,1180 5.837,1181 6.124,1182 5.146,1183 5.042,1184 6.56,1186 17.16,1187 5.048,1188 5.393,1189 1.512,1190 1.59,1191 1.49,1192 1.464,1193 1.467,1194 2.063,1196 4.038,1197 1.39,1198 3.95,1199 3.945,1200 4.237,1201 3.961,1202 7.497,1203 3.899,1204 3.792,1205 3.794,1206 4.179,1207 3.854,1208 7.352,1209 3.759,1210 3.266,1211 3.24,1212 3.47,1213 3.141,1214 4.64,1215 3.123,1216 2.595,1217 2.626,1218 2.801,1219 2.437,1220 4.603,1221 2.407,1222 2.471,1223 2.554,1224 2.491,1225 2.368,1226 3.278,1227 2.3,1228 2.433,1229 2.45,1230 2.394,1231 2.368,1232 3.245,1233 2.271,1234 2.077,1235 2.141,1236 2.132,1237 1.983,1238 3.072,1239 1.908,1240 2.013,1241 2.049,1242 2.031,1243 1.637,1244 2.916,1245 1.701,1246 0.293,1247 0.256,1248 0.435,1249 0.271,1250 0.203,1251 4.389,1252 0.262,1253 3.837,1255 6.527,1256 0.668,1257 4.069,1258 0.208,1259 3.042,1260 3.928,1262 10.025,1263 3.12,1264 1.699,1265 1.699,1266 1.763,1267 1.823,1268 0.846,1269 1.797,1270 1.445,1271 1.418,1272 1.586,1273 1.539,1274 0.68,1275 1.557,1276 1.32,1277 1.326,1278 1.297,1279 1.337,1280 0.556,1281 1.427,1282 1.295,1283 1.309,1284 1.222,1285 1.274,1286 0.54,1287 1.384,1288 0.793,1289 0.794,1290 0.89,1291 1.015,1293 1.009,1294 0.009,1295 0.041,1296 0.435,1297 0.508,1299 0.387,1302 0.422,1303 0.193,1305 0.286,1308 0.131,1309 0.19,1311 0.272,1312 3.434,1314 4.71,1315 3.045,1316 6.163,1317 5.13,1318 7.699,1319 6.986,1320 9.283,1340 15.384,1341 33.71,1342 52.929,1343 62.439,1344 66.439,1345 66.439,1346 66.439,1347 23.465,1348 5.366,1349 34.14,1350 90.62,1351 10,1352 11.59,1353 3.7,1354 3,1355 21.285,1356 31,1357 22,1358 0.355,1359 104.597,1360 173.8,1361 246.977,1362 1017,1364 9.966,1365 0.712,1366 0.624,1367 10.673,1368 8.73,1369 6.788,1370 0.453,1371 0.387,1372 4.06,1373 5.662,1374 3.783,1375 3.132,1376 7.788,1377 5.808,1378 5.807,1379 0.29,1380 0.212,1381 6.803,1382 4.242,1383 5.116,1384 0.197,1385 0.121,1386 6.145,1387 3.139,1388 3.825,1389 0.127,1390 0.077,1391 5.045,1392 2.321,1393 1.906,1394 0.079,1395 0.039,1396 2.596,1397 0.926,1398 0.525,1399 51.881,1400 0.317,1401 14.12,1402 1.061,1403 70,1404 251.192,1405 112.091,1406 282.918,1407 367.16,1408 262,1409 81,1410 221.387,1411 115.826,1412 251.646,1413 362.42,1414 234,1415 4}
{0 CHEMBL372856,1 1.747,2 10.154,3 2.876,4 8.271,5 89.649,6 9.482,7 0.444,8 3.778,9 3.841,10 3.513,11 3.246,12 5.222,13 3.301,14 4.237,15 4.326,16 3.849,17 3.579,18 5.849,19 3.646,20 4.389,21 4.466,22 4.022,23 3.712,24 5.999,25 3.789,26 4.568,27 4.657,28 4.04,29 3.701,30 6.242,31 3.787,32 4.543,33 4.684,34 3.89,35 3.613,36 6.125,37 3.682,38 4.475,39 4.608,40 3.766,41 3.422,42 6.348,43 3.491,44 4.049,45 4.13,46 3.651,47 3.251,48 6.037,49 3.326,50 4.075,51 4.202,52 3.484,53 3.168,54 5.637,55 3.256,56 0.35,57 0.519,58 4.11,59 3.275,60 35.042,61 3.06,62 0.781,63 0.743,64 10.228,65 5.206,66 117.603,67 4.766,68 0.767,69 0.887,70 9.48,71 5.894,72 105.82,73 5.304,74 1.265,75 0.955,76 14.314,77 6.503,78 162.577,79 5.489,80 1.095,81 0.929,82 16.588,83 6.274,84 172.225,85 5.974,86 1.508,87 0.757,88 19.019,89 5.856,90 286.684,91 5.707,92 0.796,93 0.579,94 8.105,95 4.049,96 143.17,97 4.176,98 0.654,99 0.593,100 9.613,101 3.805,102 95.694,103 3.472,104 81,105 38,106 0.308,107 0.598,108 0.642,109 0.686,110 0.686,111 0.686,112 3.304,113 0.782,114 -3.18,115 -3.17,116 -3.05,121 42.1,126 2,144 6,145 2,146 4,159 2,168 4,176 6,179 2,180 6,187 4,191 3,192 18,200 3,205 4,206 18,214 4,218 2,219 6,227 6,231 8,232 2,239 4,243 6,244 10,251 1,256 14,268 1,269 6,281 968,282 16.93,283 16.93,284 16.93,285 16.93,286 16.93,287 14.753,288 16.743,289 9.611,290 17.333,291 13.08,292 13.08,293 13.08,294 13.08,295 13.08,296 9.556,297 16.497,298 4.263,299 13.477,300 3.501,301 1.856,302 1.606,303 1.356,304 1.356,305 1.356,306 3.959,310 1,311 1,312 1,313 532,314 4.123,318 192.688,325 1.55,326 58.881,328 1,329 1,330 0.83,331 1,332 0.4,334 0.83,335 1,336 0.72,337 61,338 264,339 4.51,340 3.862,341 6.592,342 4.138,343 3.129,344 4.211,345 2.612,346 10.343,347 3.172,348 4.423,349 3.812,350 6.438,351 3.964,352 2.999,353 4.15,354 2.612,355 9.884,356 2.893,357 4.203,358 3.784,359 6.334,360 3.797,361 2.811,362 3.685,363 0.86,364 9.404,365 2.745,366 3.748,367 3.01,368 5.634,369 3.29,370 2.29,371 3.22,372 0.86,373 7.291,374 2.284,375 3.529,376 2.852,377 4.889,378 2.918,379 1.968,380 2.907,382 5.195,383 1.867,384 3.433,385 2.803,386 4.889,387 2.894,388 1.953,389 2.727,391 5.195,392 1.832,393 2.943,394 2.006,395 4.517,396 2.478,397 1.467,398 2.059,400 4.139,401 1.468,402 2.61,403 1.974,404 3.633,405 2,406 1,407 1.597,409 2.428,410 1,411 2.609,412 1.44,413 3.612,414 2,415 1,416 1.597,418 2.419,419 1,420 2.322,421 1.44,422 3.385,423 1.744,424 0.741,425 1.001,427 1.55,428 0.719,429 1.714,430 1.047,431 2.863,432 1.396,433 0.515,434 0.591,436 0.824,437 0.448,438 1.696,439 1.046,440 2.736,441 1.306,442 0.325,443 0.442,445 0.561,446 0.316,447 1,448 1,449 2.427,450 0.472,451 -0.474,452 -0.596,454 -0.926,455 -0.441,456 1,457 1,458 2.27,459 0.465,460 -0.5,461 -0.662,463 -0.979,464 -0.474,465 0.87,466 0.104,467 2.13,468 0.172,469 -0.824,470 -1.177,472 -2,473 -0.817,474 11.467,475 0.441,476 0.792,477 0.03,478 38.5,479 1.481,480 22,481 0.846,482 16.5,483 0.635,484 15.583,485 0.599,486 28.733,487 0.756,488 33.968,489 1.306,490 8.137,491 0.313,492 4.157,493 0.16,494 0.262,496 0.419,501 0.492,502 1.043,503 0.554,504 1.031,505 0.542,506 0.905,507 0.848,508 0.929,509 0.667,510 0.838,511 0.538,512 0.715,513 0.803,514 1.217,515 0.719,516 1.197,517 0.668,518 1,519 1.092,520 1.206,521 1.063,522 1.154,523 1.126,524 1.112,525 1.13,526 1.024,527 1.08,528 1.076,529 1.28,530 1.043,531 1.101,532 0.671,533 1.109,534 0.698,535 1.401,536 0.855,537 0.462,538 1.221,539 0.639,540 1.167,541 0.486,542 1.055,543 1.19,544 1.269,545 1.047,546 1.182,547 1.093,548 1.064,549 6,550 0.239,551 4,552 2.375,553 2.027,554 1.292,555 0.65,556 0.455,557 0.23,558 0.191,559 6687,560 31103,561 1.889,562 31.6,564 12,572 1.693,573 1.696,574 3.327,575 -0.608,576 1,577 1,582 66.402,583 1.747,584 3.392,585 3.642,586 3.892,587 3.892,588 3.892,589 2.719,590 3.393,591 4.673,592 3.463,593 1125.38,594 8.11,595 13941,596 1,597 1,598 1,599 1,600 199.421,601 1.577,602 4.578,603 0.222,604 0.015,605 0.105,606 0.054,607 0.048,608 0.036,609 0.022,610 0.016,611 0.01,612 0.01,613 0.538,614 0.33,615 0.88,616 1.119,617 126.508,618 0.163,619 0.135,620 0.057,621 0.022,622 -0.015,623 -0.026,624 -0.018,625 0.105,626 0.136,627 0.214,628 0.136,629 0.246,630 -0.015,631 -0.135,632 0.02,633 -0.166,634 0.049,635 -0.09,636 -0.098,637 -0.215,638 -0.178,639 -0.174,640 -0.136,641 -0.203,642 -0.21,643 -0.031,644 -0.09,645 -0.12,646 -0.218,647 -0.052,648 0.061,649 0.197,650 0.026,651 0.257,652 -0.034,653 0.158,654 0.461,655 -0.217,656 0.225,657 -0.157,658 0.487,659 -0.115,660 -0.276,661 -0.259,662 -0.099,663 -0.229,664 -0.148,665 -0.105,666 2.752,667 5.341,668 0.462,669 22.249,670 1.059,671 1.125,672 1.949,673 3.8,674 0.67,675 3.332,676 3.664,677 3.932,678 4.111,679 4.29,680 4.317,681 4.369,682 4.263,683 4.19,684 4.174,685 6.067,686 0.695,687 360.3,688 3.332,689 4.875,690 5.727,691 6.605,692 7.477,693 8.358,694 9.234,695 10.115,696 10.994,697 11.875,698 5.3,709 2,715 6,720 6,722 12,727 2,735 2,739 2,741 38,743 18,744 2,745 27,747 39,748 16,749 12,750 6,751 6,752 2,756 2,757 2,772 14,773 2,777 6,779 2,782 6,786 2,789 1,790 1,793 12,794 8,796 10,802 2,808 1,809 8,829 2,859 2,864 2,868 26,878 2,893 21.1,896 2,898 2,899 4,901 15.333,902 7.733,903 5.944,904 1.935,907 2.506,908 1.372,909 0.905,910 5.775,911 9.244,912 3.689,913 4.304,914 4.856,915 5.355,916 5.869,917 6.116,918 6.397,919 6.391,920 6.491,921 6.723,922 0.857,923 44,924 9.675,926 4.277,927 0.026,929 8.667,931 16.605,933 12.716,936 3.167,937 82.333,941 141.253,942 111.262,943 11.34,945 173.783,948 111.262,949 315.037,950 11.34,951 33.106,953 56.857,954 60.557,955 44.371,957 141.253,958 101.494,959 141.253,960 122.602,961 173.783,964 141.253,965 72.29,966 101.494,969 111.262,970 11.34,972 141.253,973 185.124,974 111.262,977 141.253,978 32.638,979 89.964,981 173.783,982 141.253,983 185.124,984 111.262,986 0.585,987 0.361,988 0.185,989 0.097,990 16,991 10,992 0.179,993 7,995 1,996 3.516,997 210.64,999 12,1000 92.211,1005 19.185,1006 7.826,1007 3.934,1009 173.783,1010 6.603,1015 -1.571,1018 437.639,1019 39,1021 -1.503,1024 68.786,1028 -2.092,1031 40.24,1032 42.748,1034 0.333,1035 0.646,1036 0.694,1037 0.742,1038 0.742,1039 0.742,1040 4.92,1041 1,1042 5.746,1043 4.139,1044 4.344,1045 4.99,1046 3.272,1047 6.592,1048 4.304,1049 6.166,1050 1,1051 7.348,1052 2.428,1053 4.111,1054 5.037,1055 3.006,1056 7.609,1057 4.071,1058 7.506,1059 0.741,1060 9.048,1061 2.419,1062 5.984,1063 7.247,1064 4.857,1065 10.678,1066 5.92,1067 8.881,1068 0.515,1069 10.802,1070 1.55,1071 6.524,1072 8.05,1073 5.194,1074 12.446,1075 6.464,1076 10.283,1077 0.325,1078 12.588,1079 0.824,1080 7.916,1081 9.782,1082 6.642,1083 15.049,1084 7.843,1085 11.704,1086 -0.474,1087 14.395,1088 0.561,1089 8.779,1090 10.904,1091 7.248,1092 17.118,1093 8.711,1094 13.138,1095 -0.5,1096 16.217,1097 -0.926,1098 9.996,1099 12.461,1100 8.487,1101 19.548,1102 9.923,1103 3.129,1104 -0.824,1105 18.048,1106 -0.979,1107 11,1108 13.732,1109 9.241,1110 21.747,1111 10.932,1112 2.999,1113 10.343,1114 19.888,1115 -2,1116 12.151,1117 15.216,1118 10.363,1119 24.108,1120 12.083,1121 2.811,1122 9.884,1123 21.733,1124 4.211,1125 13.217,1126 16.56,1127 11.202,1128 26.365,1129 13.154,1130 2.29,1131 9.404,1132 23.583,1133 4.15,1134 14.344,1135 18.012,1136 12.256,1137 28.697,1138 14.286,1139 1.968,1140 7.291,1141 25.436,1142 3.685,1143 15.437,1144 19.394,1145 13.145,1146 30.982,1147 15.387,1148 1.953,1149 5.195,1150 27.293,1151 3.22,1152 16.557,1153 20.831,1154 14.161,1155 33.302,1156 16.514,1157 1.467,1158 5.195,1159 29.152,1160 2.907,1161 17.664,1162 22.233,1163 15.079,1164 35.601,1165 17.631,1166 6951,1167 15116,1168 16.531,1169 25.454,1170 40.813,1171 44.482,1172 43.644,1173 40.384,1174 40.397,1175 56.372,1176 13.89,1177 118.463,1178 39.486,1179 5.343,1180 5.862,1181 6.132,1182 5.138,1183 5.129,1184 7.211,1185 4.612,1186 17.552,1187 5.172,1188 18.324,1189 1.512,1190 1.647,1191 1.616,1192 1.496,1193 1.496,1194 2.088,1195 0.514,1196 4.388,1197 1.462,1198 4.05,1199 4.062,1200 4.024,1201 3.931,1202 7.818,1203 3.946,1204 3.963,1205 3.98,1206 3.938,1207 3.827,1208 7.812,1209 3.842,1210 3.611,1211 3.611,1212 3.609,1213 3.296,1214 7.496,1215 3.361,1216 3.476,1217 3.494,1218 3.448,1219 3.039,1220 7.352,1221 3.136,1222 3.365,1223 3.389,1224 3.299,1225 2.987,1226 6.999,1227 3.063,1228 3.245,1229 3.307,1230 3.079,1231 2.958,1232 6.999,1233 2.977,1234 3.116,1235 3.168,1236 2.93,1237 2.858,1238 4.822,1239 2.86,1240 2.801,1241 2.851,1242 2.656,1243 2.652,1244 4.797,1245 2.641,1246 0.167,1247 0.143,1248 0.244,1249 0.153,1250 0.116,1251 4.51,1252 0.156,1253 3.862,1254 0.097,1255 6.592,1256 0.383,1257 4.138,1258 0.117,1259 3.129,1260 4.211,1261 2.612,1262 10.343,1263 3.172,1264 1.957,1265 1.946,1266 2.022,1267 2.109,1268 1.127,1269 2.069,1270 1.886,1271 1.869,1272 1.962,1273 2.068,1274 1.067,1275 2.016,1276 1.38,1277 1.382,1278 1.584,1279 1.749,1280 0.583,1281 1.634,1282 1.194,1283 1.162,1284 1.566,1285 1.652,1286 0.572,1287 1.557,1288 1.186,1289 1.133,1290 1.346,1291 1.57,1292 0.305,1293 1.552,1294 1.185,1295 1.118,1296 1.274,1297 1.497,1298 0.213,1299 1.505,1300 1.052,1301 0.997,1302 1.238,1303 1.32,1304 0.213,1305 1.298,1306 0.791,1307 0.742,1308 1.009,1309 0.981,1310 0.05,1311 1.002,1312 4.007,1314 5.333,1316 6.862,1318 8.479,1320 10.143,1322 2.455,1330 9.655,1340 26.395,1341 66.402,1342 128.892,1343 138.402,1344 147.911,1345 147.911,1346 147.911,1347 102.73,1348 6.738,1349 144.24,1350 144.24,1351 12,1352 12.411,1353 4.248,1354 3.7,1355 54.899,1356 95,1357 86,1358 0.29,1359 165.746,1360 304.76,1361 396.179,1362 6283,1364 19.43,1365 0.747,1366 0.524,1367 19.43,1368 13.625,1369 12.294,1370 0.455,1371 0.261,1372 6.838,1373 11.368,1374 6.679,1375 5.57,1376 12.294,1377 7.037,1378 11.017,1379 0.29,1380 0.13,1381 11.017,1382 4.946,1383 9.255,1384 0.185,1385 0.07,1386 9.255,1387 3.482,1388 7.065,1389 0.118,1390 0.037,1391 7.065,1392 2.21,1393 5.465,1394 0.076,1395 0.019,1396 5.465,1397 1.389,1398 0.449,1399 80.948,1400 0.246,1401 24.826,1402 0.811,1403 130,1404 623.175,1405 152.318,1406 573.096,1407 729.88,1408 522,1409 153,1410 509.093,1411 175.823,1412 500.594,1413 718.46,1414 462,1415 4}
{0 CHEMBL373345,1 1.626,2 7,3 1.676,4 2.808,5 57.015,6 8.843,7 0.706,8 3.289,9 3.376,10 2.996,11 2.915,12 4.618,13 2.921,14 3.705,15 3.82,16 3.285,17 3.194,18 5.053,19 3.198,20 3.905,21 4.069,22 3.35,23 3.188,24 5.508,25 3.194,26 3.735,27 3.878,28 3.174,29 2.971,30 5.342,31 3.001,32 3.596,33 3.71,34 3.047,35 2.818,36 5.233,37 2.877,38 3.45,39 3.587,40 2.765,41 2.706,42 4.925,43 2.715,44 3.277,45 3.474,46 2.379,47 2.603,48 4.423,49 2.517,50 3.093,51 3.348,52 1.83,53 2.363,54 3.932,55 2.179,56 0.043,57 0.323,58 2.909,59 1.896,60 7.086,61 2.015,62 0.095,63 0.496,64 5.113,65 2.81,66 15.061,67 2.947,68 0.327,69 0.58,70 8.798,71 3.534,72 54.938,73 4.079,74 0.249,75 0.459,76 7.343,77 3.02,78 35.358,79 3.105,80 0.239,81 0.385,82 6.401,83 2.584,84 43.568,85 2.07,86 0.209,87 0.353,88 5.455,89 2.086,90 39.407,91 1.65,92 0.124,93 0.319,94 4.689,95 1.898,96 18.296,97 2.113,98 0.069,99 0.25,100 4.605,101 1.977,102 8.445,103 2.73,104 5,105 22,106 0.322,107 0.5,108 0.632,109 0.711,110 0.711,111 0.711,112 2.853,113 0.829,114 -1.55,115 -1.63,116 -1.66,121 50,144 6,147 2,148 2,159 2,176 4,180 4,187 2,191 3,192 4,205 2,206 4,218 1,219 6,227 1,232 4,239 2,244 2,251 3,264 2,277 1,281 256,282 10.88,283 10.88,284 10.88,285 10.88,286 10.88,287 9.258,288 1.747,289 6.695,290 10.958,291 8.369,292 8.369,293 8.369,294 8.369,295 8.369,296 5.959,297 0.589,298 3.173,299 8.454,300 2.959,301 2.063,302 1.396,303 1,304 1,305 1,306 3.503,311 1,312 1,313 234,314 2.646,318 107.525,325 1,326 22.081,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 35,338 112,339 4.381,340 3.836,341 6.525,342 4.057,343 3.035,344 3.909,346 10.021,347 3.097,348 3.918,349 2.983,350 5.7,351 3.475,352 2.499,353 3.486,355 7.565,356 2.437,357 3.386,358 2.187,359 4.597,360 2.881,361 1.882,362 2.746,364 4.575,365 1.872,366 2.977,367 2.135,368 3.761,369 2.499,370 1.496,371 2.158,373 3.19,374 1.497,375 2.612,376 1.323,377 3.478,378 2.097,379 1.093,380 1.618,382 2.564,383 1.092,384 2.5,385 1.323,386 3.247,387 1.959,388 1,389 1.5,391 2.136,392 0.956,393 2.5,394 1,395 3.247,396 1.957,397 1,398 1.5,400 2.136,401 0.955,402 2.204,403 1,404 3,405 1.527,406 0.425,407 0.71,409 0.965,410 0.462,411 0.754,412 -0.125,413 2.153,414 0.255,415 -0.743,416 -1.047,418 -1.602,419 -0.731,420 0.746,421 -0.536,422 1.555,423 0.254,424 -0.757,425 -1.145,427 -1.615,428 -0.761,429 0.5,430 -0.903,431 1.555,432 -0.025,433 -1,434 -1.5,436 -2.347,437 -0.973,438 0.5,439 -1,440 1.539,441 -0.025,442 -1,443 -1.5,445 -2.347,446 -0.973,447 0.184,448 -1,449 1.247,450 -0.256,451 -1.348,452 -2,454 -3.437,455 -1.48,456 -0.345,457 -1.505,458 1,459 -0.654,460 -1.662,461 -2.208,463 -4.789,464 -1.678,465 -0.5,466 -1.919,467 1,468 -0.928,469 -1.919,470 -2.227,472 -4.789,473 -1.875,474 7.467,475 0.467,476 0.298,477 0.019,478 25,479 1.563,480 15,481 0.938,482 10,483 0.625,484 6.973,485 0.436,486 15.933,487 0.664,488 15.824,489 0.989,490 5.248,491 0.328,492 2.539,493 0.159,494 0.089,496 0.268,501 0.561,502 1.157,503 0.609,504 0.962,505 0.54,506 0.835,507 0.778,508 1.283,509 0.836,510 1.127,511 0.719,512 1.016,513 0.732,514 0.944,515 0.801,516 0.918,517 0.715,518 0.875,519 1.271,520 0.964,521 0.928,522 1.027,523 1.379,524 0.93,525 2.057,526 0.911,527 1.134,528 0.919,529 2.224,530 0.85,531 1.94,532 1.051,533 1.447,534 0.89,535 1.932,536 1.015,537 0.935,538 0.942,539 1.405,540 0.994,541 0.756,542 1.221,543 0.252,544 0.906,545 1.22,546 1.222,547 0.174,548 1.402,549 2,551 1.778,552 1.125,553 0.702,554 0.361,555 0.082,556 0.049,557 0.032,559 1909,560 6385,561 2.03,562 33.3,564 6,566 2,572 1.552,573 1.92,574 2.869,575 -0.734,579 1,582 39.02,583 1.626,584 2.522,585 3.189,586 3.585,587 3.585,588 3.585,589 2.25,590 2.156,591 3.975,592 2.909,593 349.047,594 6.695,595 2999.48,597 1,600 110.039,601 1.299,602 3.94,603 0.118,605 0.081,606 0.051,607 0.039,608 0.023,609 0.007,610 0.006,611 0.008,613 0.332,614 0.83,615 1,616 0.625,617 64.124,618 -0.022,619 -0.163,620 0.028,621 -0.063,622 -0.057,623 -0.021,624 -0.082,625 -0.27,626 -0.098,627 -0.238,628 -0.091,629 -0.184,630 0.302,631 0.055,632 0.17,633 0.017,634 0.297,635 0.057,636 0.041,637 -0.019,638 0.064,639 -0.081,640 0.017,641 -0.023,642 -0.378,643 0.008,644 -0.143,645 0.024,646 -0.356,647 -0.007,648 -0.537,649 -0.061,650 -0.497,651 0.025,652 -0.466,653 -0.174,654 -0.248,655 0.077,656 -0.46,657 -0.052,658 -0.187,659 -0.24,660 0.098,661 -0.026,662 -0.132,663 -0.166,664 0.082,665 -0.193,666 2.306,667 4.693,668 0.75,669 8.5,670 1.021,671 1.111,672 0.321,673 0.103,674 0.717,675 2.89,676 3.135,677 3.367,678 3.497,679 3.611,680 3.367,681 3.367,682 3.219,683 3.045,684 2.833,685 4.235,686 0.711,687 212.22,688 2.89,689 4.369,690 5.187,691 6.019,692 6.853,693 7.692,694 8.532,695 9.374,696 10.216,697 11.06,698 8.3,708 2,715 8,716 2,720 2,722 12,727 2,741 24,743 14,745 17,747 25,748 12,749 10,752 2,756 2,757 2,772 12,777 2,782 2,786 2,790 1,793 8,794 4,796 4,802 2,808 1,809 2,822 2,829 2,859 2,868 16,893 8.3,896 2,901 8.333,902 4.4,903 3.667,904 1.338,907 2.106,908 1.371,909 0.961,910 2.837,911 7.783,912 3.258,913 3.784,914 4.35,915 4.79,916 5.241,917 5.073,918 5.364,919 5.364,920 5.433,921 5.614,922 0.8,923 22,924 5.894,926 2.493,927 0.026,929 8.167,931 10.666,933 8.192,936 2.667,937 42.667,938 0.001,941 94.169,942 90.733,943 33.571,945 50.29,948 90.733,949 144.459,950 33.571,953 56.857,954 117.67,955 23.608,957 70.627,959 94.169,960 124.304,961 50.29,964 94.169,965 50.29,968 23.608,969 67.124,970 33.571,972 94.169,973 83.861,974 90.733,977 94.169,978 15.78,979 74.952,981 83.861,982 94.169,983 83.861,984 90.733,986 0.564,987 0.336,988 0.173,989 0.088,990 10,991 4,992 0.12,993 3,995 1,996 2.86,997 102.479,999 12,1000 48,1005 10.189,1006 4.455,1007 2.202,1009 83.861,1010 12.631,1011 7.654,1015 0.274,1018 268.763,1019 25,1024 23.386,1028 -1.279,1031 24.509,1032 26.661,1034 0.355,1035 0.55,1036 0.695,1037 0.782,1038 0.782,1039 0.782,1040 4.419,1041 0.425,1042 5.13,1043 2.136,1044 3.807,1045 4.466,1047 5.878,1048 3.799,1049 5.6,1050 -0.743,1051 6.655,1052 0.965,1053 3.219,1054 3.951,1056 6.706,1057 3.266,1058 6.872,1059 -0.757,1060 8.296,1061 -1.602,1062 5.323,1063 6.576,1065 9.826,1066 5.324,1067 8.185,1068 -1,1069 10.008,1070 -1.615,1071 5.638,1072 6.922,1074 11.522,1075 5.716,1076 9.534,1077 -1,1078 11.766,1079 -2.347,1080 7.165,1081 8.952,1083 14.141,1084 7.2,1085 10.909,1086 -1.348,1087 13.553,1088 -2.347,1089 7.897,1090 9.718,1092 16.164,1093 8.005,1094 12.304,1095 -1.662,1096 15.362,1097 -3.437,1098 9.178,1099 11.459,1101 18.605,1102 9.264,1103 3.035,1104 -1.919,1105 17.184,1106 -4.789,1107 10.107,1108 12.456,1110 20.771,1111 10.252,1112 2.499,1113 10.021,1114 19.017,1115 -4.789,1116 11.282,1117 14.039,1119 23.138,1120 11.425,1121 1.882,1122 7.565,1123 20.857,1124 3.909,1125 12.304,1126 15.173,1128 25.372,1129 12.492,1130 1.496,1131 4.575,1132 22.703,1133 3.486,1134 13.435,1135 16.664,1137 27.706,1138 13.634,1139 1.093,1140 3.19,1141 24.553,1142 2.746,1143 14.501,1144 17.882,1146 29.974,1147 14.735,1148 1,1149 2.564,1150 26.407,1151 2.158,1152 15.616,1153 19.317,1155 32.293,1156 15.867,1157 1,1158 2.136,1159 28.264,1160 1.618,1161 16.703,1162 20.587,1164 34.578,1165 16.983,1166 1941,1167 3640,1168 11.326,1169 17.205,1170 25.428,1171 27.057,1172 25.698,1173 24.906,1174 24.86,1175 35.255,1177 66.301,1178 24.738,1179 5.197,1180 5.836,1181 6.327,1182 5.096,1183 5.035,1184 6.909,1186 17.141,1187 5.056,1188 5.991,1189 1.496,1190 1.592,1191 1.512,1192 1.465,1193 1.462,1194 2.074,1196 3.9,1197 1.455,1198 3.947,1199 3.973,1200 3.909,1201 3.829,1202 7.497,1203 3.844,1204 3.816,1205 3.857,1206 3.754,1207 3.711,1208 7.352,1209 3.715,1210 3.391,1211 3.388,1212 3.344,1213 3.22,1214 4.874,1215 3.248,1216 2.873,1217 2.914,1218 2.787,1219 2.748,1220 4.844,1221 2.745,1222 2.782,1223 2.862,1224 2.632,1225 2.611,1226 3.835,1227 2.606,1228 2.747,1229 2.819,1230 2.621,1231 2.519,1232 3.83,1233 2.54,1234 2.453,1235 2.511,1236 2.357,1237 2.181,1238 3.634,1239 2.22,1240 2.206,1241 2.186,1242 2.149,1243 1.712,1244 3.56,1245 1.824,1246 0.258,1247 0.226,1248 0.384,1249 0.239,1250 0.179,1251 4.381,1252 0.23,1253 3.836,1255 6.525,1256 0.589,1257 4.057,1258 0.182,1259 3.035,1260 3.909,1262 10.021,1263 3.097,1264 1.879,1265 1.853,1266 1.973,1267 2.014,1268 0.981,1269 2,1270 1.793,1271 1.756,1272 1.917,1273 1.921,1274 0.921,1275 1.922,1276 1.293,1277 1.291,1278 1.38,1279 1.494,1280 0.367,1281 1.453,1282 0.866,1283 0.82,1284 1.126,1285 1.038,1286 0.183,1287 1.068,1288 0.776,1289 0.704,1290 1.063,1291 1,1292 0.033,1293 1.028,1294 0.676,1295 0.609,1296 0.887,1297 0.943,1299 0.927,1300 0.348,1301 0.288,1302 0.638,1303 0.666,1305 0.656,1308 0.306,1309 0.425,1311 0.334,1312 3.555,1314 4.812,1316 6.29,1318 7.852,1320 9.454,1340 17.053,1341 39.02,1342 60.529,1343 76.529,1344 86.039,1345 86.039,1346 86.039,1347 27.591,1348 5.677,1349 59.92,1350 59.92,1351 12,1352 11.623,1353 3.907,1354 3.17,1355 25.898,1356 40,1357 34,1358 0.328,1359 109.254,1360 188.1,1361 258.339,1362 1629,1364 11.38,1365 0.711,1366 0.521,1367 11.38,1368 8.33,1369 7.788,1370 0.458,1371 0.276,1372 4.639,1373 7.523,1374 4.556,1375 3.8,1376 7.788,1377 4.699,1378 6.514,1379 0.296,1380 0.14,1381 6.514,1382 3.088,1383 5.616,1384 0.201,1385 0.071,1386 5.616,1387 2.001,1388 4.179,1389 0.131,1390 0.038,1391 4.179,1392 1.227,1393 3.131,1394 0.087,1395 0.021,1396 3.131,1397 0.752,1398 0.493,1399 48.789,1400 0.297,1401 16.153,1402 0.954,1403 78,1404 288.761,1405 85.649,1406 278.377,1407 367.4,1408 258,1409 89,1410 256.202,1411 97.536,1412 259.475,1413 375.44,1414 244,1415 4}
{0 CHEMBL373651,1 1.471,2 6,3 2.214,4 4.9,5 63.603,6 7.354,7 0.833,8 3.492,9 3.608,10 3.066,11 3.042,12 4.605,13 3.026,14 3.99,15 4.169,16 3.447,17 3.454,18 5.027,19 3.43,20 4.167,21 4.328,22 3.486,23 3.616,24 5.22,25 3.549,26 4.288,27 4.508,28 3.308,29 3.568,30 5.205,31 3.449,32 4.159,33 4.412,34 3.033,35 3.333,36 5.086,37 3.196,38 3.983,39 4.253,40 2.585,41 3.017,42 4.908,43 2.833,44 3.646,45 3.96,46 1.859,47 2.456,48 4.547,49 2.221,50 3.028,51 3.392,52 1.133,53 1.808,54 3.689,55 1.524,56 0.026,57 0.427,58 6.058,59 2.531,60 6.619,61 3.324,62 0.098,63 0.7,64 10.971,65 3.927,66 9.684,67 5.419,68 0.107,69 0.802,70 12.865,71 5.424,72 13.88,73 7.176,74 0.089,75 0.86,76 15.631,77 6.229,78 14.045,79 8.701,80 0.165,81 0.73,82 14.505,83 5.261,84 16.044,85 7.524,86 0.094,87 0.573,88 12.542,89 4.597,90 18.243,91 6.504,92 0.203,93 0.356,94 10.021,95 3.222,96 25.211,97 4.513,98 0.047,99 0.19,100 5.354,101 1.816,102 7.631,103 2.749,104 10,105 27,106 0.279,107 0.601,108 0.716,109 0.808,110 0.86,111 0.86,112 2.857,113 0.891,114 -2.52,115 -2.55,116 -2.49,121 44.8,126 2,144 4,145 2,146 1,147 2,154 2,176 4,180 3,185 2,187 4,189 1,192 3,194 1,197 2,200 4,203 1,211 1,214 2,216 1,222 1,224 1,227 1,229 2,241 1,250 1,281 186,282 10.654,283 10.654,284 10.654,285 10.654,286 10.654,287 8.85,288 8.481,289 6.042,290 10.899,291 8.866,292 8.866,293 8.866,294 8.866,295 8.866,296 6.16,297 6.163,298 2.875,299 9.266,300 3.387,301 1.69,302 1.087,303 0.604,304 0.328,305 0.328,306 3.526,311 1,312 1,313 208,314 1.871,317 19.815,318 54.662,321 79.186,325 0.875,326 7.905,329 1,330 0.83,331 1,332 0.6,333 0.5,334 1,335 1,336 0.85,337 34,338 96,339 4.82,340 3.368,341 7.016,342 4.311,343 3.341,344 4.931,346 11.974,347 3.242,348 3.965,349 2.647,350 5.779,351 3.476,352 2.519,353 3.625,355 7.747,356 2.411,357 3.65,358 2.418,359 5.604,360 3.185,361 2.254,362 3.107,364 6.939,365 2.096,366 3.473,367 2.107,368 4.978,369 2.994,370 2.036,371 2.886,373 5.852,374 1.942,375 3.208,376 1.875,377 4.869,378 2.729,379 1.776,380 2.504,382 5.313,383 1.686,384 2.585,385 1.102,386 3.87,387 2.086,388 1.094,389 1.626,391 2.834,392 1.085,393 2.249,394 0.941,395 3.585,396 1.802,397 0.84,398 1.152,400 2.079,401 0.805,402 1.215,403 0.085,404 2.662,405 0.834,406 -0.131,407 -0.167,409 -0.313,410 -0.126,411 1.086,412 -0.011,413 2.541,414 0.67,415 -0.26,416 -0.329,418 -0.617,419 -0.238,420 0.633,421 -0.622,422 2.33,423 0.186,424 -0.763,425 -0.992,427 -2.093,428 -0.711,429 0.625,430 -0.795,431 2.328,432 0.125,433 -0.834,434 -1.211,436 -2.516,437 -0.803,438 0.112,439 -0.984,440 1.758,441 -0.237,442 -1.161,443 -1.531,445 -3.103,446 -1.074,447 -0.017,448 -1.195,449 1.725,450 -0.393,451 -1.315,452 -1.76,454 -3.415,455 -1.221,456 -0.259,457 -1.492,458 1.337,459 -0.656,460 -1.592,461 -2.177,463 -4.555,464 -1.492,465 -0.416,466 -1.879,467 1.103,468 -0.899,469 -1.89,470 -2.811,472 -5.799,473 -1.786,474 7.633,475 0.477,476 0.507,477 0.032,478 22.25,479 1.391,480 11.5,481 0.719,482 10.75,483 0.672,484 9.674,485 0.605,486 16.667,487 0.575,488 13.906,489 0.869,490 4.504,491 0.282,492 3.16,493 0.198,494 0.175,496 0.432,501 1.006,502 1.366,503 0.801,504 1.017,505 0.998,506 0.906,507 1.048,508 0.857,509 0.761,510 0.647,511 0.511,512 0.638,513 0.941,514 1.067,515 1.036,516 1.086,517 0.953,518 1.078,519 0.748,520 1.223,521 1.067,522 1.217,523 0.702,524 1.188,525 0.785,526 0.967,527 1.07,528 1.067,529 0.703,530 1.089,531 0.979,532 1.153,533 1.15,534 1.268,535 0.996,536 1.24,537 1.574,538 0.598,539 1.092,540 0.736,541 2.229,542 0.861,543 0.589,544 0.665,545 0.71,546 0.795,547 0.581,548 0.772,549 3.5,551 2.222,552 1.986,553 0.897,554 0.681,555 0.126,556 0.1,559 1768,560 4175,561 2.097,562 44.8,564 10,566 2,567 1,572 1.558,573 1.92,574 2.619,575 -0.291,577 1,578 1,579 1,582 42.67,583 1.471,584 3.168,585 3.771,586 4.254,587 4.53,588 4.53,589 2.127,590 3.5,591 3.973,592 2.645,593 317.407,594 6.723,595 2615.25,597 1,599 1,600 140.881,601 1.505,602 3.912,603 0.194,605 0.082,606 0.074,607 0.043,608 0.045,609 0.016,610 0.033,613 0.488,614 1,615 1,616 0.703,617 61.854,618 -0.071,619 -0.245,620 0.053,621 -0.042,622 -0.164,623 0.005,624 -0.136,625 0.284,626 0.148,627 0.29,628 0.083,629 0.273,630 -0.07,631 -0.018,632 -0.157,633 -0.099,634 -0.103,635 -0.136,636 -0.033,637 -0.255,638 -0.145,639 -0.239,640 -0.039,641 -0.213,642 0.063,643 -0.005,644 -0.099,645 -0.115,646 0.055,647 -0.12,648 -0.019,649 -0.278,650 -0.148,651 -0.306,652 0.061,653 -0.252,655 0.18,656 0.035,657 0.219,658 -0.265,659 0.135,660 0.181,661 0.086,662 0.391,663 0.18,664 0.279,665 0.297,666 1.353,667 3.539,668 0.813,669 7.953,670 0.996,671 1.12,672 1.29,673 1.665,674 0.678,675 2.944,676 3.332,677 3.664,678 4.007,679 4.29,680 4.357,681 4.431,682 4.477,683 4.22,684 3.951,685 3.627,686 0.643,687 213.28,688 2.944,689 4.511,690 5.398,691 6.319,692 7.232,693 8.159,694 9.081,695 10.01,696 10.935,697 11.865,698 6.9,706 1,708 1,714 4,715 6,720 1,721 2,722 15,738 1,741 29,743 15,744 1,745 18,747 31,748 13,749 11,750 3,751 3,756 3,757 6,772 11,773 2,790 1,793 13,794 1,795 1,796 3,802 2,803 1,808 0.333,809 1,822 1,824 1,828 1,829 2,832 2,859 1,864 2,868 16,875 1,893 3.4,895 1,901 8.333,902 5.9,903 3.389,904 1.676,907 3.241,908 1.498,909 1.007,910 1.946,911 9.754,912 3.277,913 4.047,914 4.79,915 5.538,916 6.205,917 6.647,918 7.128,919 7.572,920 7.675,921 7.829,922 1,923 27,924 5.879,926 2.513,927 0.026,929 7.646,931 11.352,933 9.498,936 2.146,937 34.333,938 0.004,941 141.253,942 82.227,943 3.798,945 42.683,948 82.227,949 183.937,950 3.798,951 16.793,953 37.905,954 68.125,955 25.14,956 4.288,957 117.711,959 141.253,960 86.025,961 42.683,964 141.253,965 42.683,968 19.994,969 64.132,970 1.899,972 141.253,973 46.482,974 82.227,977 141.253,978 9.434,979 76.591,981 42.683,982 141.253,983 46.482,984 82.227,986 0.6,987 0.359,988 0.205,989 0.125,990 16,991 7,994 2,995 1.308,996 2.759,997 118.874,998 0.308,999 13,1000 64,1005 9.664,1006 3.221,1007 1.337,1008 4.578,1009 42.683,1010 11.679,1015 0.313,1016 4.172,1017 42.683,1018 269.962,1019 25.5,1031 28.891,1032 32.49,1034 0.303,1035 0.652,1036 0.776,1037 0.876,1038 0.932,1039 0.932,1040 4.519,1041 -0.131,1042 5.425,1043 2.079,1044 4.007,1045 4.732,1047 6.315,1048 3.926,1049 5.801,1050 -0.26,1051 7.034,1052 -0.313,1053 3.761,1054 4.808,1056 7.353,1057 3.62,1058 7.163,1059 -0.763,1060 8.743,1061 -0.617,1062 5.673,1063 7.176,1065 10.518,1066 5.524,1067 8.566,1068 -0.834,1069 10.509,1070 -2.093,1071 6.217,1072 8.076,1074 12.414,1075 6.019,1076 10.002,1077 -1.161,1078 12.313,1079 -2.516,1080 7.664,1081 9.954,1083 15.126,1084 7.457,1085 11.463,1086 -1.315,1087 14.144,1088 -3.103,1089 8.579,1090 11.247,1092 17.388,1093 8.336,1094 12.945,1095 -1.592,1096 15.998,1097 -3.415,1098 9.859,1099 12.94,1101 19.948,1102 9.598,1103 3.341,1104 -1.89,1105 17.868,1106 -4.555,1107 10.942,1108 14.41,1110 22.351,1111 10.65,1112 2.519,1113 11.974,1114 19.754,1115 -5.799,1116 12.166,1117 16.036,1119 24.859,1120 11.852,1121 2.254,1122 7.747,1123 21.65,1124 4.931,1125 13.321,1126 17.581,1128 27.314,1129 12.977,1130 2.036,1131 6.939,1132 23.557,1133 3.625,1134 14.528,1135 19.185,1137 29.805,1138 14.158,1139 1.776,1140 5.852,1141 25.471,1142 3.107,1143 15.712,1144 20.759,1146 32.278,1147 15.313,1148 1.094,1149 5.313,1150 27.392,1151 2.886,1152 16.916,1153 22.356,1155 34.763,1156 16.489,1157 0.84,1158 2.834,1159 29.318,1160 2.504,1161 18.112,1162 23.943,1164 37.242,1165 17.656,1166 1775,1167 2793,1168 11.849,1169 19.654,1170 28.066,1171 27.625,1172 29.402,1173 27.79,1174 27.72,1175 39.664,1177 85.478,1178 26.534,1179 5.32,1180 5.368,1181 6.302,1182 5.347,1183 5.341,1184 7.931,1186 19.205,1187 5.242,1188 7.699,1189 1.559,1190 1.535,1191 1.633,1192 1.544,1193 1.54,1194 2.204,1196 4.749,1197 1.474,1198 4.233,1199 4.265,1200 4.205,1201 4.143,1202 6.471,1203 4.154,1204 3.744,1205 3.794,1206 3.675,1207 3.609,1208 4.99,1209 3.619,1210 3.403,1211 3.474,1212 3.294,1213 3.183,1214 4.517,1215 3.199,1216 3.166,1217 3.242,1218 3.018,1219 3.007,1220 4.07,1221 3,1222 2.848,1223 2.918,1224 2.678,1225 2.68,1226 3.908,1227 2.665,1228 2.799,1229 2.879,1230 2.577,1231 2.628,1232 3.559,1233 2.601,1234 2.729,1235 2.801,1236 2.513,1237 2.552,1238 3.462,1239 2.536,1240 2.271,1241 2.36,1242 2.024,1243 2.001,1244 3.249,1245 1.991,1246 0.268,1247 0.187,1248 0.39,1249 0.239,1250 0.186,1251 4.82,1252 0.274,1253 3.368,1255 7.016,1256 0.665,1257 4.311,1258 0.18,1259 3.341,1260 4.931,1262 11.974,1263 3.242,1264 1.983,1265 1.963,1266 2.061,1267 2.097,1268 1.218,1269 2.086,1270 1.884,1271 1.842,1272 1.986,1273 2.028,1274 1.114,1275 2.021,1276 1.364,1277 1.28,1278 1.647,1279 1.628,1280 0.72,1281 1.636,1282 1.185,1283 1.119,1284 1.487,1285 1.39,1286 0.556,1287 1.423,1288 0.849,1289 0.777,1290 1.147,1291 1.096,1292 0.219,1293 1.109,1294 0.806,1295 0.719,1296 1.115,1297 1.014,1298 0.201,1299 1.055,1300 0.752,1301 0.71,1302 0.969,1303 0.97,1304 0.039,1305 0.979,1306 0.356,1307 0.252,1308 0.706,1309 0.647,1311 0.677,1312 3.611,1314 4.977,1315 2.398,1316 6.547,1317 4.949,1318 8.211,1319 7.222,1320 9.926,1322 4.052,1327 9.539,1340 18.655,1341 42.67,1342 91.862,1343 109.372,1344 123.372,1345 131.372,1346 131.372,1347 16.116,1348 6.513,1349 29.04,1350 29.04,1351 17,1352 12.367,1353 4,1354 3.087,1355 21.615,1356 37,1357 31,1358 0.335,1359 114.775,1360 179.95,1361 271.811,1362 4576,1364 11.284,1365 0.705,1366 0.585,1367 11.284,1368 9.359,1369 7.665,1370 0.426,1371 0.297,1372 5.263,1373 7.383,1374 5.071,1375 4.247,1376 7.665,1377 5.344,1378 7.351,1379 0.272,1380 0.159,1381 7.351,1382 4.281,1383 6.335,1384 0.167,1385 0.083,1386 6.335,1387 3.146,1388 5.495,1389 0.102,1390 0.043,1391 5.495,1392 2.309,1393 4.818,1394 0.067,1395 0.024,1396 4.818,1397 1.696,1398 0.48,1399 47.885,1400 0.291,1401 15.465,1402 1.064,1403 90,1404 216.128,1405 96.267,1406 215.613,1407 306.02,1408 202,1409 110,1410 239.171,1411 117.184,1412 245.932,1413 361.51,1414 231,1415 5.745}
{0 CHEMBL373674,1 1.514,2 5.4,3 2.111,4 4.457,5 57.906,6 7.93,7 0.882,8 3.362,9 3.465,10 2.997,11 2.954,12 4.543,13 2.948,14 3.831,15 3.982,16 3.371,17 3.349,18 4.95,19 3.335,20 4.007,21 4.161,22 3.401,23 3.47,24 5.113,25 3.424,26 4.073,27 4.267,28 3.2,29 3.411,30 5.082,31 3.312,32 3.956,33 4.201,34 2.845,35 3.124,36 4.97,37 2.987,38 3.698,39 3.986,40 2.328,41 2.629,42 4.71,43 2.47,44 3.035,45 3.32,46 1.304,47 1.669,48 4.234,49 1.501,50 2.003,51 2.426,52 0.132,53 0.746,54 2.303,55 0.48,56 0.024,57 0.361,58 4.507,59 2.114,60 6.218,61 2.534,62 0.065,63 0.591,64 8.058,65 3.289,66 8.413,67 4.14,68 0.107,69 0.678,70 9.903,71 4.304,72 13.177,73 5.332,74 0.072,75 0.703,76 11.36,77 4.866,78 11.319,79 6.376,80 0.133,81 0.6,82 11.524,83 4.448,84 16.137,85 6.132,86 0.103,87 0.437,88 10.05,89 3.464,90 18.524,91 4.792,92 0.186,93 0.191,94 5.87,95 1.631,96 26.72,97 1.973,98 0.032,99 0.068,100 2.283,101 0.638,102 4.156,103 1.049,104 5,105 25,106 0.296,107 0.641,108 0.778,109 0.872,110 0.872,111 0.872,112 2.8,113 0.844,114 -2.25,115 -2.29,116 -2.26,121 48,126 1,144 4,145 2,146 1,147 2,154 2,176 4,180 4,185 2,187 4,191 1,192 4,197 2,200 4,206 1,211 1,214 2,219 2,222 1,224 1,227 1,232 1,247 1,281 162,282 10.207,283 10.207,284 10.207,285 10.207,286 10.207,287 8.427,288 5.319,289 5.903,290 10.409,291 8.383,292 8.383,293 8.383,294 8.383,295 8.383,296 5.747,297 3.663,298 2.791,299 8.714,300 3.13,301 1.371,302 0.67,303 0.19,304 0.19,305 0.19,306 3.47,311 1,312 1,313 177,314 1.732,317 17.921,318 49.192,321 71.459,325 0.827,326 9.332,329 1,330 0.67,331 0.83,332 0.6,334 1,335 1,336 0.73,337 32,338 81,339 4.812,340 3.358,341 7.012,342 4.303,343 3.333,344 4.923,346 11.951,347 3.236,348 3.89,349 2.61,350 5.738,351 3.406,352 2.44,353 3.532,355 7.538,356 2.355,357 3.595,358 2.207,359 5.603,360 3.108,361 2.152,362 3.068,364 6.931,365 2.049,366 3.34,367 2.016,368 4.923,369 2.862,370 1.902,371 2.698,373 5.559,374 1.818,375 2.903,376 1.419,377 3.862,378 2.357,379 1.409,380 2.102,382 3.139,383 1.333,384 2.5,385 1,386 3.652,387 1.978,388 1,389 1.5,391 2.543,392 0.976,393 2.244,394 0.94,395 3.484,396 1.798,397 0.838,398 1.147,400 2.008,401 0.802,402 1.092,403 0.079,404 2.566,405 0.693,406 -0.239,407 -0.298,409 -0.556,410 -0.219,411 0.972,412 -0.364,413 2.44,414 0.499,415 -0.461,416 -0.637,418 -1.162,419 -0.44,420 0.627,421 -0.789,422 2.279,423 0.125,424 -0.823,425 -1.192,427 -2.043,428 -0.775,429 0.5,430 -0.979,431 2,432 -0.014,433 -1,434 -1.5,436 -2.832,437 -0.988,438 0.061,439 -1,440 1.739,441 -0.293,442 -1.202,443 -1.54,445 -3.088,446 -1.093,447 -0.227,448 -1.472,449 1.375,450 -0.633,451 -1.57,452 -2.156,454 -4.373,455 -1.472,456 -0.385,457 -1.867,458 1.203,459 -0.882,460 -1.873,461 -2.797,463 -5.392,464 -1.776,465 -0.424,466 -1.899,467 1.089,468 -0.969,469 -1.907,470 -2.848,472 -5.889,473 -1.868,474 7.133,475 0.476,476 0.401,477 0.027,478 22.5,479 1.5,480 12.5,481 0.833,482 10,483 0.667,484 7.944,485 0.53,486 15.067,487 0.603,488 13.13,489 0.875,490 4.52,491 0.301,492 2.751,493 0.183,494 0.117,496 0.407,501 0.959,502 1.205,503 0.734,504 0.913,505 0.96,506 0.815,507 0.913,508 0.955,509 0.744,510 0.748,511 0.575,512 0.706,513 0.976,514 0.971,515 0.982,516 0.98,517 0.944,518 0.984,519 0.796,520 1.226,521 1.147,522 1.274,523 0.745,524 1.266,525 0.687,526 1.034,527 1.091,528 1.182,529 0.795,530 1.191,531 1.127,532 1.003,533 1.044,534 1.089,535 1.146,536 1.06,537 2.748,538 0.459,539 1.469,540 0.592,541 3.504,542 0.844,543 0.425,544 0.038,545 0.354,546 0.047,547 0.266,548 0.141,549 2.5,551 2,552 1.924,553 0.626,554 0.49,555 0.061,556 0.028,559 1499,560 4122,561 2.145,562 40,564 7,566 2,567 1,572 1.539,573 2,574 2.507,575 -0.265,579 1,582 37.858,583 1.514,584 3.273,585 3.974,586 4.454,587 4.454,588 4.454,589 1.909,590 3.907,591 3.883,592 2.515,593 264.076,594 6.542,595 2099.89,597 1,600 116.096,601 1.429,602 3.837,603 0.147,605 0.08,606 0.077,607 0.033,608 0.041,609 0.01,610 0.028,613 0.416,614 1,615 1,616 0.648,617 56.098,618 -0.102,619 -0.159,620 0.034,621 0.007,622 -0.159,623 0.029,624 -0.116,625 0.128,626 0.084,627 0.161,628 0.029,629 0.163,630 -0.088,631 0.038,632 -0.135,633 -0.042,634 -0.1,635 -0.089,636 -0.073,637 -0.277,638 -0.251,639 -0.316,640 -0.061,641 -0.313,642 0.129,643 -0.12,644 -0.084,645 -0.203,646 0.031,647 -0.178,648 -0.003,649 -0.14,650 0.096,651 -0.093,652 0.089,653 0.001,654 -0.209,655 0.352,656 -0.126,657 0.408,658 -0.428,659 0.177,660 0.235,661 0.773,662 1.071,663 1.049,664 0.318,665 1.176,666 1.369,667 3.474,668 0.867,669 6.72,670 1.003,671 1.115,672 1.018,673 1.037,674 0.7,675 2.89,676 3.258,677 3.611,678 3.951,679 4.205,680 4.234,681 4.29,682 4.304,683 4.025,684 3.738,685 3.396,686 0.675,687 198.24,688 2.89,689 4.443,690 5.333,691 6.248,692 7.162,693 8.085,694 9.005,695 9.931,696 10.853,697 11.779,698 8,706 1,708 1,714 4,715 6,716 1,720 1,721 1,722 15,738 1,741 25,743 15,744 1,745 17,747 27,748 12,749 11,750 3,751 3,756 3,757 6,772 11,773 1,790 1,793 10,794 2,795 1,796 3,802 2,808 0.333,809 1,822 1,824 1,828 1,829 2,832 2,859 1,864 1,868 15,875 1,893 4,895 1,901 7.5,902 4.85,903 3.222,904 1.393,907 3.242,908 1.508,909 1.015,910 1.657,911 9.618,912 3.239,913 3.994,914 4.751,915 5.497,916 6.146,917 6.554,918 7.025,919 7.454,920 7.53,921 7.675,922 0.75,923 25,924 5.498,925 -0.001,926 2.371,927 0.026,929 7.722,931 10.515,933 8.815,936 2.222,937 33.333,938 0.004,941 105.94,942 73.83,943 18.685,945 42.683,948 73.83,949 148.623,950 18.685,951 8.396,953 37.905,954 83.011,955 25.14,956 4.288,957 82.398,959 105.94,960 92.515,961 42.683,964 105.94,965 42.683,968 19.994,969 55.736,970 16.786,972 105.94,973 61.368,974 73.83,977 105.94,978 9.434,979 66.295,981 59.469,982 105.94,983 61.368,984 73.83,986 0.591,987 0.363,988 0.213,989 0.124,990 15,991 6,994 2,995 1.308,996 2.698,997 108.489,998 0.308,999 13,1000 58.603,1005 8.594,1006 2.892,1007 1.109,1008 4.377,1009 59.469,1010 10.992,1011 4.108,1015 0.298,1016 2.08,1017 42.683,1018 241.138,1019 24.5,1031 25.065,1032 27.867,1034 0.326,1035 0.705,1036 0.856,1037 0.959,1038 0.959,1039 0.959,1040 4.463,1041 -0.239,1042 5.342,1043 2.008,1044 3.932,1045 4.677,1047 6.232,1048 3.86,1049 5.732,1050 -0.461,1051 6.948,1052 -0.556,1053 3.611,1054 4.691,1056 7.281,1057 3.496,1058 7.087,1059 -0.823,1060 8.659,1061 -1.162,1062 5.587,1063 7.119,1065 10.461,1066 5.456,1067 8.487,1068 -1,1069 10.432,1070 -2.043,1071 6.111,1072 8.005,1074 12.381,1075 5.942,1076 9.924,1077 -1.202,1078 12.245,1079 -2.832,1080 7.589,1081 9.908,1083 15.092,1084 7.403,1085 11.388,1086 -1.57,1087 14.086,1088 -3.088,1089 8.506,1090 11.201,1092 17.365,1093 8.285,1094 12.875,1095 -1.873,1096 15.949,1097 -4.373,1098 9.799,1099 12.904,1101 19.923,1102 9.558,1103 3.333,1104 -1.907,1105 17.827,1106 -5.392,1107 10.886,1108 14.376,1110 22.329,1111 10.613,1112 2.44,1113 11.951,1114 19.719,1115 -5.889,1116 12.116,1117 16.006,1119 24.836,1120 11.818,1121 2.152,1122 7.538,1123 21.621,1124 4.923,1125 13.273,1126 17.552,1128 27.291,1129 12.945,1130 1.902,1131 6.931,1132 23.531,1133 3.532,1134 14.482,1135 19.156,1137 29.78,1138 14.128,1139 1.409,1140 5.559,1141 25.448,1142 3.068,1143 15.667,1144 20.731,1146 32.252,1147 15.283,1148 1,1149 3.139,1150 27.371,1151 2.698,1152 16.871,1153 22.328,1155 34.736,1156 16.459,1157 0.838,1158 2.543,1159 29.299,1160 2.102,1161 18.067,1162 23.914,1164 37.213,1165 17.625,1166 1495,1167 2537,1168 11.444,1169 17.512,1170 26.393,1171 26.072,1172 27.371,1173 26.199,1174 26.149,1175 37.937,1177 79.342,1178 25.14,1179 5.312,1180 5.358,1181 6.69,1182 5.339,1183 5.333,1184 7.923,1186 19.174,1187 5.236,1188 5.903,1189 1.553,1190 1.534,1191 1.61,1192 1.541,1193 1.538,1194 2.232,1196 4.667,1197 1.479,1198 4.217,1199 4.246,1200 4.191,1201 4.132,1202 6.471,1203 4.143,1204 3.66,1205 3.695,1206 3.598,1207 3.553,1208 5.038,1209 3.559,1210 3.35,1211 3.428,1212 3.234,1213 3.138,1214 4.583,1215 3.149,1216 2.959,1217 3.013,1218 2.868,1219 2.824,1220 4.067,1221 2.827,1222 2.847,1223 2.918,1224 2.677,1225 2.648,1226 3.853,1227 2.646,1228 2.777,1229 2.846,1230 2.562,1231 2.628,1232 3.534,1233 2.599,1234 2.323,1235 2.397,1236 2.163,1237 2.087,1238 3.384,1239 2.095,1240 2.116,1241 2.207,1242 1.876,1243 1.625,1244 2.976,1245 1.683,1246 0.283,1247 0.198,1248 0.412,1249 0.253,1250 0.196,1251 4.812,1252 0.29,1253 3.358,1255 7.012,1256 0.703,1257 4.303,1258 0.19,1259 3.333,1260 4.923,1262 11.951,1263 3.236,1264 1.964,1265 1.949,1266 2.034,1267 2.033,1268 1.189,1269 2.034,1270 1.847,1271 1.805,1272 1.945,1273 2.013,1274 1.055,1275 1.996,1276 1.302,1277 1.232,1278 1.582,1279 1.545,1280 0.619,1281 1.557,1282 0.937,1283 0.884,1284 1.155,1285 1.113,1286 0.219,1287 1.12,1288 0.84,1289 0.762,1290 1.14,1291 1.088,1292 0.206,1293 1.109,1294 0.756,1295 0.714,1296 0.972,1297 0.971,1298 0.039,1299 0.982,1300 0.435,1301 0.347,1302 0.731,1303 0.703,1305 0.722,1306 0.011,1308 0.554,1309 0.541,1311 0.555,1312 3.555,1314 4.905,1315 2.398,1316 6.472,1317 4.949,1318 8.136,1319 7.222,1320 9.85,1322 2.003,1327 9.474,1340 16.865,1341 37.858,1342 81.832,1343 99.342,1344 111.342,1345 111.342,1346 111.342,1347 14.733,1348 6.377,1349 38.05,1350 38.05,1351 17,1352 12.284,1353 4,1354 3.087,1355 19.748,1356 32,1357 27,1358 0.349,1359 103.719,1360 161.33,1361 244.834,1362 3897,1364 10.414,1365 0.694,1366 0.554,1367 10.414,1368 8.306,1369 7.271,1370 0.428,1371 0.281,1372 4.721,1373 7.025,1374 4.58,1375 3.805,1376 7.271,1377 4.783,1378 6.717,1379 0.269,1380 0.146,1381 6.717,1382 3.653,1383 5.993,1384 0.166,1385 0.078,1386 5.993,1387 2.793,1388 5.284,1389 0.104,1390 0.04,1391 5.284,1392 2.043,1393 4.491,1394 0.068,1395 0.021,1396 4.491,1397 1.395,1398 0.495,1399 45.325,1400 0.296,1401 14.5,1402 1.13,1403 84,1404 225.44,1405 89.906,1406 223.931,1407 314.85,1408 210,1409 103,1410 241.312,1411 109.352,1412 247.72,1413 363.69,1414 233,1415 5}
{0 CHEMBL373715,1 1.825,2 4.308,3 1.821,4 3.316,5 48.54,6 10.295,7 0.429,8 3.093,9 3.168,10 2.916,11 2.743,12 4.381,13 2.744,14 3.574,15 3.679,16 3.358,17 3.129,18 4.921,19 3.123,20 3.747,21 3.837,22 3.483,23 3.179,24 5.373,25 3.165,26 3.71,27 3.86,28 3.355,29 3.008,30 5.168,31 2.961,32 3.483,33 3.687,34 2.782,35 2.478,36 5.015,37 2.401,38 2.816,39 2.984,40 1.015,41 1.415,42 4.348,43 1.288,56 0.084,57 0.248,58 1.498,59 1.456,60 10.818,61 1.424,62 0.179,63 0.391,64 4.112,65 2.645,66 24.414,67 2.896,68 0.328,69 0.428,70 5.986,71 3.218,72 57.783,73 3.15,74 0.342,75 0.408,76 8.85,77 3.24,78 42.764,79 3.193,80 0.305,81 0.299,82 9.478,83 3.084,84 43.37,85 3.471,86 0.326,87 0.107,88 8.761,89 1.589,90 61.717,91 0.784,104 17,105 21,106 0.393,107 0.793,108 0.838,109 0.861,110 0.861,111 0.861,112 2.673,113 0.886,114 -3.09,115 -3.09,116 -2.97,121 47.4,122 1,144 2,145 2,146 2,159 1,160 1,176 3,180 1,183 1,185 2,187 6,191 1,192 1,195 1,197 2,200 4,206 4,211 2,214 1,219 6,227 1,281 116,282 8.345,283 8.345,284 8.345,285 8.345,286 8.345,287 7.304,288 10.201,289 4.631,290 8.457,291 6.836,292 6.836,293 6.836,294 6.836,295 6.836,296 5.171,297 13.283,298 2.147,299 7.041,300 2.423,301 0.566,302 0.356,303 0.25,304 0.25,305 0.25,306 3.295,308 1,312 1,313 114,314 1.732,317 21.25,318 27.306,321 41.2,325 0.639,326 19.934,329 1,330 0.67,331 0.83,332 0.4,334 1,335 1,336 0.7,337 28.833,338 56,339 4.619,340 3.914,341 6.937,342 4.268,343 3.28,344 4.287,345 1.058,346 11.596,347 3.238,348 3.81,349 3.141,350 5.767,351 3.433,352 2.408,353 3.179,355 7.429,356 2.453,357 3.536,358 2.844,359 5.438,360 3.11,361 2.199,362 2.848,364 6.584,365 1.953,366 2.932,367 2.594,368 4.469,369 2.472,370 1.474,371 2.068,373 4.084,374 1.448,375 2.627,376 1.764,377 4.138,378 2.183,379 1.181,380 1.509,382 3.209,383 1.143,384 1.523,385 0.828,386 2.77,387 1.153,388 0.212,389 0.26,391 0.458,392 0.175,393 1.26,394 0.724,395 2.565,396 0.757,397 -0.242,398 -0.354,400 -0.578,401 -0.217,402 0.598,403 0.103,404 2.344,405 0.147,406 -0.885,407 -1.099,409 -2.254,410 -0.767,411 0.243,412 -0.495,413 1.752,414 -0.134,415 -1,416 -1.268,418 -2.546,419 -0.902,421 -1.01,422 1.482,423 -0.328,424 -1.392,425 -1.945,427 -3.894,428 -1.4,429 -0.242,430 -1.221,431 1.307,432 -0.696,433 -1.531,434 -2,436 -4.214,437 -1.513,438 -0.5,439 -1.534,440 1.258,441 -0.792,442 -1.791,443 -2.213,445 -5.705,446 -1.747,447 -0.58,448 -1.813,449 1.087,450 -0.974,451 -1.914,452 -2.272,454 -6.949,455 -1.866,456 -0.826,457 -2,458 0.686,459 -1,460 -2,461 -3,462 -1.058,463 -7.222,464 -2,474 6.281,475 0.483,476 0.477,477 0.037,478 17.75,479 1.365,480 9.5,481 0.731,482 8.25,483 0.635,484 7.648,485 0.588,486 13.519,487 0.712,488 10.587,489 0.814,490 3.565,491 0.274,492 2.544,493 0.196,494 0.299,496 0.478,501 0.596,502 1.026,503 0.489,504 0.725,505 0.536,506 0.698,507 0.539,508 1.023,509 0.489,510 0.741,511 0.56,512 0.693,513 0.819,514 1.195,515 0.912,516 1.038,517 0.81,518 1.019,519 0.883,520 1.016,521 1.098,522 1.131,523 0.799,524 1.112,525 0.947,526 1.112,527 0.994,528 1.319,529 0.956,530 1.253,531 3.78,532 0.03,533 3.077,534 0.864,535 4.056,536 1.286,549 3,551 2.222,552 1.667,553 1.089,554 0.142,559 855,560 3708,561 1.948,562 31.6,563 3,564 2,567 1,572 1.495,573 1.733,574 2.249,575 -0.127,582 34.672,583 1.825,584 3.682,585 3.892,586 3.998,587 3.998,588 3.998,589 1.46,590 3.547,591 3.678,592 2.234,593 174.226,594 6.138,595 1313.55,597 1,600 80.711,601 1.526,602 3.574,603 0.214,605 0.106,606 0.079,607 0.073,608 0.02,613 0.492,614 1,615 1,616 0.808,617 45.218,618 -0.063,619 0.035,620 -0.009,621 0.055,622 -0.056,623 0.055,624 0.094,625 -0.013,626 0.141,627 0.108,628 0.038,629 0.165,630 0.097,631 -0.241,632 -0.062,633 -0.146,634 0.113,635 -0.179,636 0.025,637 -0.037,638 0.006,639 -0.17,640 0.005,641 -0.14,642 0.112,643 -0.282,644 0.157,645 -0.256,646 0.145,647 -0.067,648 -1.487,649 0.71,650 -1.27,651 0.415,652 -1.422,653 -0.158,666 2.272,667 4.273,668 0.692,669 5.148,670 1.038,671 1.111,672 1.862,673 3.469,674 0.74,675 2.708,676 3.091,677 3.401,678 3.664,679 3.807,680 3.638,681 3.401,682 3.367,683 2.708,684 1.099,685 3,686 0.729,687 195.61,688 2.708,689 4.263,690 5.142,691 6.052,692 6.954,693 7.864,694 8.771,695 9.681,696 10.589,697 11.499,698 5.3,705 1,715 2,720 4,722 6,727 1,740 1,741 19,743 8,744 1,745 14,747 20,748 9,749 6,750 4,751 2,752 2,756 2,757 3,758 1,763 1,772 8,773 1,777 2,782 2,786 2,793 6,794 3,795 1,796 4,797 1,802 1,808 0.5,809 2,828 1,829 1,832 1,843 1,859 1,864 1,865 1,868 13,877 1,892 1,893 10.5,896 2,901 7.5,902 3.893,903 2.806,904 1.084,907 1.54,908 1.275,909 0.985,910 1.719,911 7.139,912 2.996,913 3.624,914 4.216,915 4.735,916 5.214,917 5.269,918 5.306,919 5.471,920 5.03,921 3.841,922 0.667,923 21,924 4.792,925 -0.003,926 2.129,927 0.026,929 8.316,931 8.65,932 -0.001,933 7.091,934 0.001,936 2.816,937 36.611,938 0.003,941 58.856,942 50.244,943 18.011,944 39.149,945 50.29,948 50.244,949 148.294,950 18.011,951 8.825,952 18.011,953 18.952,954 60.128,955 12.629,957 58.856,958 39.149,959 58.856,960 68.255,961 50.29,962 39.149,964 58.856,965 50.29,968 26.836,969 41.419,970 39.149,972 58.856,973 68.301,974 89.393,977 58.856,978 22.467,979 27.778,980 18.011,981 89.438,982 58.856,983 68.301,984 89.393,986 0.607,987 0.378,988 0.201,989 0.109,990 12,991 6,994 1,995 1.222,996 2.366,997 83.648,998 0.222,999 9,1000 48.106,1005 8.418,1006 2.655,1007 1.087,1009 68.301,1010 3.383,1015 2.011,1017 18.011,1018 216.549,1019 19,1024 22.289,1028 -1.158,1031 19.731,1032 21.107,1034 0.43,1035 0.867,1036 0.916,1037 0.941,1038 0.941,1039 0.941,1040 4.256,1041 -0.885,1042 5.187,1043 -0.578,1044 3.761,1045 4.304,1046 1.176,1047 6.084,1048 3.713,1049 5.51,1050 -1,1051 6.817,1052 -2.254,1053 3.611,1054 4.369,1056 7.168,1057 3.54,1058 6.86,1059 -1.392,1060 8.545,1061 -2.546,1062 5.442,1063 6.546,1064 1.255,1065 10.313,1066 5.372,1067 8.246,1068 -1.531,1069 10.328,1070 -3.894,1071 6.066,1072 7.369,1074 12.215,1075 5.986,1076 9.662,1077 -1.791,1078 12.144,1079 -4.214,1080 7.459,1081 9.102,1082 1.338,1083 14.909,1084 7.374,1085 11.1,1086 -1.914,1087 13.985,1088 -5.705,1089 8.414,1090 10.262,1092 17.146,1093 8.321,1094 12.556,1095 -2,1096 15.844,1097 -6.949,1098 9.661,1099 11.832,1100 1.422,1101 19.684,1102 9.559,1103 3.28,1105 17.718,1106 -7.222,1107 10.753,1108 13.147,1110 22.054,1111 10.641,1112 2.408,1113 11.596,1114 19.603,1116 11.954,1117 14.652,1118 1.51,1119 24.537,1120 11.831,1121 2.199,1122 7.429,1123 21.497,1124 4.287,1125 13.103,1126 16.039,1128 26.957,1129 12.967,1130 1.474,1131 6.584,1132 23.4,1133 3.179,1134 14.291,1135 17.517,1136 1.599,1137 29.419,1138 14.143,1139 1.181,1140 4.084,1141 25.308,1142 2.848,1143 15.462,1144 18.939,1146 31.858,1147 15.301,1148 0.212,1149 3.209,1150 27.222,1151 2.068,1152 16.648,1153 20.405,1154 1.69,1155 34.313,1156 16.474,1157 -0.242,1158 0.458,1159 29.14,1160 1.509,1161 17.828,1162 21.844,1164 36.76,1165 17.641,1166 946,1167 2027,1168 8.671,1169 14.057,1170 21.808,1171 23.78,1172 23.497,1173 21.581,1174 21.508,1175 28.302,1176 2.117,1177 66.722,1178 20.821,1179 5.444,1180 5.914,1181 6.251,1182 5.268,1183 5.28,1184 7.287,1185 2.117,1186 18.817,1187 5.238,1188 7.36,1189 1.558,1190 1.699,1191 1.678,1192 1.541,1193 1.536,1194 2.022,1195 0.151,1196 4.766,1197 1.487,1198 4.019,1199 4.034,1200 4.083,1201 3.942,1202 7.499,1203 3.947,1204 3.473,1205 3.491,1206 3.545,1207 3.282,1208 7.352,1209 3.313,1210 3.18,1211 3.241,1212 3.341,1213 3.054,1214 4.905,1215 3.034,1216 2.716,1217 2.77,1218 2.682,1219 2.471,1220 4.379,1221 2.475,1222 2.583,1223 2.599,1224 2.6,1225 2.349,1226 3.894,1227 2.369,1228 2.393,1229 2.404,1230 2.479,1231 2.086,1232 3.637,1233 2.132,1234 1.825,1235 1.911,1236 1.839,1237 1.386,1238 2.998,1239 1.376,1240 1.515,1241 1.627,1242 1.566,1243 1.191,1244 2.688,1245 1.177,1246 0.33,1247 0.28,1248 0.496,1249 0.305,1250 0.234,1251 4.619,1252 0.306,1253 3.914,1254 0.076,1255 6.937,1256 0.828,1257 4.268,1258 0.231,1259 3.28,1260 4.287,1261 1.058,1262 11.596,1263 3.238,1264 1.899,1265 1.883,1266 1.979,1267 1.968,1268 1.145,1269 1.977,1270 1.394,1271 1.388,1272 1.524,1273 1.656,1274 0.605,1275 1.59,1276 1.127,1277 1.062,1278 1.363,1279 1.371,1280 0.247,1281 1.407,1282 0.944,1283 0.894,1284 1.121,1285 1.162,1286 0.196,1287 1.152,1288 0.445,1289 0.392,1290 0.669,1291 0.634,1293 0.669,1296 0.276,1297 0.381,1299 0.271,1303 0.238,1305 0.231,1312 3.367,1314 4.727,1315 2.398,1316 6.29,1317 4.844,1318 7.946,1319 7.034,1320 9.653,1322 1.814,1323 5.789,1329 2.483,1340 13.859,1341 34.672,1342 69.956,1343 73.956,1344 75.956,1345 75.956,1346 75.956,1347 22.859,1348 5.598,1349 49.93,1350 49.93,1351 11,1352 12.014,1353 3.17,1354 2.585,1355 18.91,1356 24,1357 18,1358 0.454,1359 90.797,1360 159.23,1361 213.306,1362 1310,1363 5.3,1364 9.585,1365 0.737,1366 0.585,1367 10.085,1368 7.605,1369 6.109,1370 0.436,1371 0.295,1372 3.743,1373 5.628,1374 3.592,1375 2.967,1376 6.398,1377 4.136,1378 5.845,1379 0.278,1380 0.157,1381 6.216,1382 3.305,1383 5.108,1384 0.176,1385 0.081,1386 5.445,1387 2.35,1388 4.055,1389 0.107,1390 0.042,1391 4.413,1392 1.592,1393 3.268,1394 0.074,1395 0.025,1396 3.629,1397 1.08,1398 0.627,1399 41.393,1400 0.34,1401 12.448,1402 1.533,1403 70,1404 256.007,1405 91.891,1406 274.776,1407 353.66,1408 252,1409 85,1410 227.389,1411 103.526,1412 240.048,1413 355.43,1414 225,1415 4}
{0 CHEMBL373781,1 1.612,2 8.833,3 1.571,4 2.469,5 85.213,6 8.898,7 0.444,8 3.727,9 3.808,10 3.445,11 3.337,12 4.978,13 3.352,14 4.253,15 4.37,16 3.861,17 3.741,18 5.517,19 3.753,20 4.508,21 4.657,22 3.986,23 3.833,24 6.011,25 3.842,26 4.512,27 4.663,28 3.79,29 3.767,30 5.841,31 3.746,32 4.492,33 4.658,34 3.597,35 3.562,36 5.894,37 3.544,38 4.253,39 4.444,40 3.435,41 3.424,42 5.53,43 3.396,44 4.091,45 4.248,46 3.604,47 3.418,48 5.606,49 3.448,50 4.011,51 4.108,52 3.569,53 3.357,54 5.804,55 3.398,56 0.089,57 0.492,58 4.459,59 3.001,60 15.007,61 3.083,62 0.274,63 0.85,64 9.302,65 4.923,66 27.301,67 5.228,68 0.583,69 1.048,70 15.385,71 6.768,72 96.056,73 7.592,74 0.433,75 1.018,76 15.216,77 7.059,78 74.021,79 7.278,80 0.711,81 0.959,82 17.87,83 6.753,84 120.451,85 6.366,86 0.535,87 0.772,88 15.18,89 5.549,90 87.894,91 6.033,92 0.339,93 0.657,94 11.24,95 4.655,96 63.783,97 5.25,98 0.402,99 0.564,100 8.75,101 4.204,102 83.308,103 4.026,104 17,105 40,106 0.287,107 0.545,108 0.624,109 0.703,110 0.723,111 0.723,112 3.23,113 0.833,114 -3.1,115 -3.1,116 -2.98,121 50,127 2,144 8,145 2,146 2,159 2,160 2,176 8,179 2,180 6,187 8,191 5,192 8,200 4,206 10,218 2,219 10,231 2,232 4,243 1,244 6,251 4,255 2,256 8,264 8,268 1,269 6,277 8,281 688,282 16.242,283 16.242,284 16.242,285 16.242,286 16.242,287 14.471,288 18.363,289 9.264,290 16.357,291 13.242,292 13.242,293 13.242,294 13.242,295 13.242,296 10.315,297 25.823,298 4.305,299 13.371,300 3.558,301 2.111,302 1.667,303 1.222,304 1.111,305 1.111,306 3.923,310 1,311 1,312 1,313 468,314 2.646,317 90.929,318 115.331,321 173.875,325 1.056,326 40.626,328 1,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 53,338 212,339 4.594,340 3.986,341 6.977,342 4.306,343 3.321,344 4.133,345 1.2,346 11.748,347 3.276,348 4.572,349 3.969,350 6.958,351 4.274,352 3.283,353 4.123,354 1.2,355 11.687,356 3.254,357 3.61,358 3.002,359 5.664,360 3.211,361 2.236,362 2.971,363 0.293,364 7.172,365 2.191,366 3.603,367 2.961,368 5.599,369 3.167,370 2.148,371 2.963,372 0.293,373 6.889,374 2.181,375 3.409,376 2.784,377 5.539,378 3.138,379 2.114,380 2.539,382 6.606,383 2.129,384 3.294,385 2.747,386 5.534,387 3.009,388 2.026,389 2.432,391 6.588,392 1.973,393 2.843,394 1.997,395 3.895,396 2.362,397 1.354,398 1.97,400 3.002,401 1.362,402 2.842,403 1.801,404 3.688,405 2.361,406 1.354,407 1.97,409 2.958,410 1.36,411 2.519,412 1.343,413 3.641,414 2.162,415 1.172,416 1.507,418 2.891,419 1.157,420 2.42,421 1.321,422 3.64,423 1.921,424 0.914,425 1.304,427 2.292,428 0.916,429 2.228,430 1.258,431 3.328,432 1.715,433 0.658,434 0.915,436 1.539,437 0.686,438 1.836,439 1.03,440 2.989,441 1.292,442 0.202,443 0.305,445 0.476,446 0.217,447 1.208,448 0.367,449 2.604,450 0.856,451 -0.197,452 -0.274,454 -0.455,455 -0.206,456 0.839,457 -0.018,458 2.37,459 0.42,460 -0.585,461 -0.769,463 -1.446,464 -0.581,465 0.72,466 -0.019,467 2.314,468 0.281,469 -0.741,470 -0.985,472 -1.797,473 -0.749,474 11.133,475 0.464,476 0.666,477 0.028,478 35,479 1.458,480 19,481 0.792,482 16,483 0.667,484 15.161,485 0.632,486 24.267,487 0.674,488 26.594,489 1.108,490 7.074,491 0.295,492 4.518,493 0.188,494 0.12,496 0.431,501 0.563,502 1.232,503 0.588,504 0.964,505 0.494,506 0.824,507 0.621,508 1.118,509 0.729,510 0.933,511 0.568,512 0.867,513 0.665,514 0.92,515 0.761,516 0.928,517 0.648,518 0.875,519 1.087,520 1.257,521 1.184,522 1.268,523 1.018,524 1.256,525 1.569,526 1.106,527 1.447,528 1.088,529 1.626,530 1.207,531 1.191,532 0.799,533 1.095,534 0.763,535 1.269,536 0.871,537 0.848,538 0.763,539 0.546,540 0.741,541 0.801,542 0.586,543 1.066,544 0.846,545 0.787,546 0.96,547 1.074,548 0.833,549 3.5,550 0.041,551 3.778,552 3.722,553 0.924,554 0.626,555 0.506,556 0.514,557 0.328,558 0.109,559 6177,560 20071,561 2.11,562 33.3,564 12,572 1.671,573 1.946,574 3.101,575 -0.74,576 1,577 1,579 1,582 58.039,583 1.612,584 3.059,585 3.503,586 3.948,587 4.059,588 4.059,589 2.355,590 3.418,591 4.564,592 3.229,593 891.331,594 7.884,595 10280.3,596 1,597 1,599 1,600 186.117,601 1.483,602 4.504,603 0.13,604 0.007,605 0.094,606 0.087,607 0.027,608 0.024,609 0.021,610 0.017,611 0.012,612 0.006,613 0.425,614 0.5,615 1,616 0.622,617 112.169,618 -0.027,619 -0.192,620 0.042,621 -0.055,622 -0.022,623 -0.007,624 0.038,625 -0.034,626 0.017,627 -0.033,628 -0.008,629 -0.018,630 0.226,631 0.108,632 0.165,633 0.017,634 0.198,635 0.064,636 -0.16,637 -0.286,638 -0.237,639 -0.308,640 -0.093,641 -0.297,642 -0.276,643 -0.142,644 -0.354,645 -0.119,646 -0.296,647 -0.235,648 -0.117,649 0.173,650 0.011,651 0.233,652 -0.201,653 0.172,654 0.102,655 0.212,656 0.442,657 0.242,658 0.148,659 0.408,660 0.145,661 0.073,662 0.116,663 0.011,664 0.234,665 0.055,666 2.276,667 5.165,668 0.75,669 15.5,670 1.026,671 1.109,672 1.874,673 3.511,674 0.712,675 3.332,676 3.714,677 4.094,678 4.394,679 4.575,680 4.575,681 4.691,682 4.828,683 4.836,684 4.905,685 5.381,686 0.709,687 320.32,688 3.332,689 4.905,690 5.808,691 6.723,692 7.64,693 8.559,694 9.479,695 10.399,696 11.32,697 12.241,698 5.6,705 2,715 8,720 4,722 12,727 2,741 36,743 16,744 2,745 27,747 39,748 18,749 12,750 4,751 8,752 4,756 4,757 6,772 16,773 2,777 4,782 4,786 4,789 1,790 1,793 12,794 6,796 6,802 2,808 0.5,809 4,828 2,829 2,832 2,844 2,859 2,868 24,876 2,881 2,893 11.1,896 4,901 12.333,902 6.733,903 5.194,904 2.192,907 2.563,908 1.343,909 1.023,910 3.239,911 10.032,912 3.638,913 4.22,914 4.848,915 5.36,916 5.826,917 5.922,918 6.2,919 6.421,920 6.447,921 6.632,922 0.833,923 43,924 8.986,926 4.144,927 0.026,929 8.181,931 16.413,933 13.974,936 2.681,937 64.333,941 141.253,942 111.582,943 6.249,945 100.58,948 111.582,949 241.833,950 6.249,952 10.46,953 75.81,954 120.256,955 11.885,957 141.253,959 141.253,960 117.831,961 100.58,964 141.253,965 100.58,968 10.46,969 107.371,972 141.253,973 106.828,974 111.582,977 141.253,978 35.772,979 82.059,981 100.58,982 141.253,983 106.828,984 111.582,986 0.596,987 0.383,988 0.215,989 0.111,990 22,991 10,992 0.077,993 3,994 2,995 1.222,996 3.535,997 208.799,998 0.222,999 18,1000 86.039,1005 14.644,1006 5.309,1007 2.089,1009 106.828,1010 13.505,1015 1.816,1018 359.664,1019 37,1024 48.313,1028 -2.311,1031 36.931,1032 39.91,1034 0.312,1035 0.592,1036 0.678,1037 0.764,1038 0.785,1039 0.785,1040 4.905,1041 1.354,1042 5.826,1043 3.002,1044 4.394,1045 4.905,1046 1.911,1047 6.735,1048 4.38,1049 6.124,1050 1.172,1051 7.453,1052 2.958,1053 4.111,1054 4.745,1055 0.57,1056 7.823,1057 4.093,1058 7.451,1059 0.914,1060 9.185,1061 2.891,1062 6.08,1063 7.066,1064 2.088,1065 11.002,1066 6.039,1067 8.817,1068 0.658,1069 10.976,1070 2.292,1071 6.661,1072 7.744,1073 1.045,1074 12.934,1075 6.617,1076 10.22,1077 0.202,1078 12.804,1079 1.539,1080 8.119,1081 9.548,1082 2.341,1083 15.637,1084 8.053,1085 11.651,1086 -0.197,1087 14.658,1088 0.476,1089 9.072,1090 10.61,1091 1.491,1092 17.9,1093 9.001,1094 13.104,1095 -0.585,1096 16.528,1097 -0.455,1098 10.354,1099 12.208,1100 2.615,1101 20.447,1102 10.265,1103 3.321,1104 -0.741,1105 18.413,1106 -1.446,1107 11.458,1108 13.451,1109 1.928,1110 22.836,1111 11.361,1112 3.283,1113 11.748,1114 20.308,1115 -1.797,1116 12.681,1117 14.957,1118 2.904,1119 25.328,1120 12.569,1121 2.236,1122 11.687,1123 22.211,1124 4.133,1125 13.842,1126 16.287,1127 2.356,1128 27.763,1129 13.72,1130 2.148,1131 7.172,1132 24.121,1133 4.123,1134 15.046,1135 17.751,1136 3.204,1137 30.235,1138 14.91,1139 2.114,1140 6.889,1141 26.037,1142 2.971,1143 16.228,1144 19.124,1145 2.776,1146 32.687,1147 16.082,1148 2.026,1149 6.606,1150 27.958,1151 2.963,1152 17.425,1153 20.565,1154 3.515,1155 35.152,1156 17.267,1157 1.354,1158 6.588,1159 29.883,1160 2.539,1161 18.616,1162 21.96,1163 3.188,1164 37.61,1165 18.446,1166 5850,1167 10654,1168 17.918,1169 25.636,1170 42.65,1171 45.732,1172 43.791,1173 41.659,1174 41.565,1175 54.266,1176 5.971,1177 127.693,1178 41.404,1179 5.569,1180 5.986,1181 6.656,1182 5.365,1183 5.321,1184 7.133,1185 2.293,1186 18.96,1187 5.276,1188 11.885,1189 1.58,1190 1.694,1191 1.622,1192 1.543,1193 1.539,1194 2.01,1195 0.221,1196 4.729,1197 1.533,1198 4.049,1199 4.074,1200 4.014,1201 3.945,1202 7.501,1203 3.956,1204 3.977,1205 3.995,1206 3.947,1207 3.891,1208 7.494,1209 3.899,1210 3.547,1211 3.601,1212 3.452,1213 3.384,1214 7.352,1215 3.394,1216 3.433,1217 3.445,1218 3.382,1219 3.245,1220 7.352,1221 3.278,1222 3.272,1223 3.288,1224 3.177,1225 3.08,1226 4.73,1227 3.097,1228 2.933,1229 2.984,1230 2.844,1231 2.78,1232 4.696,1233 2.78,1234 2.825,1235 2.89,1236 2.675,1237 2.697,1238 4.074,1239 2.681,1240 2.605,1241 2.613,1242 2.545,1243 2.418,1244 3.773,1245 2.443,1246 0.17,1247 0.148,1248 0.258,1249 0.159,1250 0.123,1251 4.594,1252 0.153,1253 3.986,1254 0.044,1255 6.977,1256 0.435,1257 4.306,1258 0.121,1259 3.321,1260 4.133,1261 1.2,1262 11.748,1263 3.276,1264 1.89,1265 1.865,1266 1.996,1267 1.985,1268 1.17,1269 1.989,1270 1.875,1271 1.853,1272 1.978,1273 1.952,1274 1.08,1275 1.962,1276 1.592,1277 1.547,1278 1.78,1279 1.819,1280 0.998,1281 1.801,1282 1.356,1283 1.358,1284 1.398,1285 1.622,1286 0.415,1287 1.546,1288 1.193,1289 1.175,1290 1.308,1291 1.416,1292 0.3,1293 1.383,1294 0.941,1295 0.896,1296 1.115,1297 1.145,1298 0.241,1299 1.133,1300 0.81,1301 0.752,1302 1.073,1303 0.987,1304 0.151,1305 1.023,1306 0.779,1307 0.723,1308 1.055,1309 0.977,1310 0.094,1311 1.01,1312 4.007,1314 5.371,1315 3.045,1316 6.94,1317 5.638,1318 8.597,1319 7.888,1320 10.299,1328 0.296,1333 2.715,1340 25.536,1341 58.039,1342 110.117,1343 126.117,1344 142.117,1345 146.117,1346 146.117,1347 54.346,1348 7.469,1349 78.14,1350 78.14,1351 22,1352 12.749,1353 4.087,1354 3.459,1355 33.805,1356 80,1357 60,1358 0.215,1359 154.159,1360 279.48,1361 367.907,1362 17478,1364 16.845,1365 0.702,1366 0.523,1367 16.845,1368 12.56,1369 11.592,1370 0.429,1371 0.278,1372 7.391,1373 11.156,1374 7.285,1375 5.955,1376 11.592,1377 7.498,1378 10.566,1379 0.264,1380 0.14,1381 10.566,1382 5.606,1383 10.043,1384 0.17,1385 0.073,1386 10.043,1387 4.305,1388 8.424,1389 0.105,1390 0.039,1391 8.424,1392 3.14,1393 6.725,1394 0.07,1395 0.022,1396 6.725,1397 2.08,1398 0.329,1399 72.938,1400 0.236,1401 22.948,1402 0.612,1403 134,1404 456.232,1405 148.131,1406 433.675,1407 581.94,1408 402,1409 166,1410 419.588,1411 182.322,1412 421.068,1413 630.55,1414 398,1415 4}
{0 CHEMBL374130,1 1.335,2 13.267,3 5.981,4 35.771,5 118.475,6 7.044,7 0.375,8 4.131,9 4.232,10 3.623,11 3.683,12 5.273,13 3.649,14 4.646,15 4.805,16 3.987,17 4.065,18 5.717,19 4.012,20 4.923,21 5.084,22 4.114,23 4.219,24 6.044,25 4.157,26 5.082,27 5.29,28 4.11,29 4.225,30 6.318,31 4.134,32 5.053,33 5.298,34 3.943,35 4.178,36 6.038,37 4.066,38 4.926,39 5.14,40 3.975,41 4.101,42 6.118,43 4.017,44 4.88,45 5.06,46 3.813,47 4.044,48 6.057,49 3.951,50 4.908,51 5.171,52 3.739,53 3.94,54 6.007,55 3.821,56 0.058,57 0.717,58 12.614,59 6.054,60 16.89,61 7.464,62 0.064,63 1.168,64 22.14,65 9.965,66 21.025,67 12.851,68 0.195,69 1.475,70 30.28,71 12.458,72 47.58,73 15.833,74 0.827,75 1.644,76 37.808,77 14.009,78 128.535,79 18.626,80 0.409,81 1.604,82 37.062,83 13.79,84 79.106,85 18.615,86 0.499,87 1.42,88 32.14,89 12.108,90 92.394,91 16.032,92 0.42,93 1.342,94 30.511,95 11.263,96 85.614,97 14.188,98 0.427,99 1.353,100 32.67,101 11.658,102 91.365,103 16.044,104 57,105 45,106 0.219,107 0.566,108 0.739,109 0.814,110 0.851,111 0.851,112 3.44,113 0.948,114 -4.79,115 -4.7,116 -4.42,121 43.1,122 3,123 4,129 1,137 2,138 2,144 5,145 3,146 4,159 1,176 14,180 6,185 6,187 20,192 2,197 4,200 15,205 1,206 6,209 3,210 1,211 6,214 16,219 4,224 2,227 13,232 4,235 2,237 8,239 16,244 2,249 6,251 9,256 4,259 1,261 8,264 11,269 2,274 2,277 8,281 1528,282 19.568,283 19.568,284 19.568,285 19.568,286 19.568,287 17.141,288 26.102,289 11.441,290 19.745,291 15.75,292 15.75,293 15.75,294 15.75,295 15.75,296 12.227,297 31.607,298 5.45,299 16.091,300 4.523,301 2.402,302 1.343,303 0.884,304 0.66,305 0.66,306 4.117,312 1,313 830,314 3.937,318 269.111,322 142.72,325 2.484,326 42.217,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 65,338 398,339 4.616,340 3.761,341 6.906,342 4.254,343 3.276,344 4.329,345 1.277,346 11.5,347 3.203,348 4.137,349 3.234,350 6.22,351 3.831,352 2.858,353 3.678,354 1.151,355 9.263,356 2.781,357 3.912,358 3.174,359 6.004,360 3.551,361 2.557,362 3.307,363 0.68,364 8.357,365 2.541,366 3.739,367 2.826,368 5.247,369 3.365,370 2.368,371 2.997,372 0.68,373 6.323,374 2.361,375 3.621,376 2.661,377 5.049,378 3.212,379 2.257,380 2.863,381 0.68,382 6.106,383 2.175,384 3.562,385 2.621,386 5.031,387 3.173,388 2.175,389 2.847,391 6.03,392 2.138,393 3.394,394 2.478,395 4.79,396 3.007,397 2.05,398 2.671,400 5.134,401 1.951,402 3.084,403 2.277,404 4.642,405 2.692,406 1.704,407 2.198,409 4.848,410 1.662,411 2.591,412 1.761,413 4.321,414 2.303,415 1.357,416 1.597,418 3.854,419 1.271,420 2.5,421 1.551,422 3.693,423 2.136,424 1.147,425 1.5,427 2.585,428 1.132,429 2.243,430 1.396,431 3.414,432 2,433 1,434 1.213,436 2.275,437 1,438 1.907,439 1,440 3.226,441 1.798,442 0.822,443 0.861,445 1.867,446 0.798,447 1.363,448 0.892,449 3.085,450 1.055,451 0.079,452 0.093,454 0.201,455 0.076,456 1.21,457 0.525,458 2.798,459 0.897,460 -0.051,461 -0.059,463 -0.133,464 -0.047,465 1.103,466 0.334,467 2.601,468 0.73,469 -0.203,470 -0.241,472 -0.476,473 -0.185,474 14.167,475 0.472,476 0.915,477 0.031,478 35,479 1.167,480 17.5,481 0.583,482 17.5,483 0.583,484 29.374,485 0.979,486 33.233,487 0.573,488 28.167,489 0.939,490 6.798,491 0.227,492 7.459,493 0.249,494 0.2,496 0.388,501 0.884,502 1.036,503 0.885,504 1.024,505 0.878,506 0.965,507 0.695,508 1.091,509 0.78,510 1.071,511 0.564,512 0.961,513 1.091,514 1.242,515 1.05,516 1.224,517 1.016,518 1.144,519 0.817,520 1.027,521 0.935,522 1.027,523 0.819,524 1.006,525 0.982,526 0.881,527 0.892,528 0.876,529 0.975,530 0.869,531 0.932,532 0.958,533 0.887,534 0.95,535 1.016,536 0.917,537 1.553,538 1.167,539 1.354,540 1.17,541 1.669,542 1.218,543 0.876,544 0.885,545 0.802,546 0.874,547 0.866,548 0.832,549 7,550 0.149,551 3.778,552 2.438,553 2.062,554 1.437,555 0.749,556 0.648,557 0.328,558 0.298,559 11608,560 29253,561 1.974,562 48.3,563 15,564 8,567 3,568 2,572 1.726,573 1.8,574 3.623,575 0.801,582 77.451,583 1.335,584 3.456,585 4.515,586 4.974,587 5.198,588 5.198,589 3.261,590 4.507,591 4.865,592 3.839,593 1670.16,594 8.486,595 23539.4,600 339.763,601 1.549,602 4.808,603 0.219,604 0.006,605 0.084,606 0.051,607 0.046,608 0.036,609 0.018,610 0.02,611 0.011,612 0.012,613 0.502,614 0.17,615 1,616 1.798,617 155.759,618 -0.088,619 0.093,620 -0.001,621 0.091,622 -0.122,623 0.065,624 0.022,625 -0.019,626 0.124,627 -0.001,628 0.045,629 0.067,630 -0.077,631 -0.201,632 -0.096,633 -0.194,634 -0.095,635 -0.156,636 0.281,637 -0.043,638 0.062,639 -0.048,640 0.226,641 -0.035,642 -0.052,643 0.085,644 0.095,645 0.095,646 -0.056,647 0.117,648 0.105,649 0.029,650 0.102,651 0.035,652 0.107,653 0.063,654 -0.249,655 -0.168,656 -0.344,657 -0.188,658 -0.265,659 -0.268,660 0.082,661 0.055,662 0.203,663 0.075,664 0.137,665 0.147,666 1.905,667 5.771,668 0.533,669 38.391,670 1,671 1.118,672 3.562,673 12.687,674 0.654,675 3.497,676 3.829,677 4.06,678 4.317,679 4.564,680 4.727,681 4.787,682 4.963,683 5.063,684 5.142,685 7.51,686 0.62,687 408.53,688 3.497,689 5.043,690 5.883,691 6.765,692 7.63,693 8.523,694 9.401,695 10.302,696 11.189,697 12.095,715 5,720 7,722 12,727 1,738 3,739 1,741 58,743 15,744 2,745 32,747 60,748 25,749 12,750 7,751 5,752 1,756 3,757 4,763 3,767 2,770 5,772 17,773 8,777 3,782 1,784 2,786 3,793 28,794 5,795 3,796 5,808 0.667,809 5,829 3,833 1,849 2,850 2,859 2,864 3,868 30,875 3,876 4,878 1,880 1,893 8.6,895 3,896 1,898 1,901 16.667,902 11.1,903 6.583,904 3.449,907 2.746,908 1.364,909 0.908,910 7.01,911 10.281,912 3.738,913 4.331,914 4.812,915 5.328,916 5.852,917 6.127,918 6.354,919 6.742,920 7.101,921 7.421,922 1,923 48,924 11.214,926 4.838,927 0.026,929 7.917,931 21.086,933 17.24,936 2.417,937 72.5,941 294.278,942 129.252,945 164.195,948 129.252,949 458.472,951 26.476,952 10.138,953 66.334,954 158.328,955 32.171,957 294.278,959 294.278,960 129.252,961 164.195,964 294.278,965 164.195,968 36.614,969 73.686,970 18.952,972 294.278,973 164.195,974 129.252,977 294.278,978 36.443,979 92.809,981 164.195,982 294.278,983 164.195,984 129.252,986 0.586,987 0.326,988 0.168,989 0.093,990 20,991 11,992 0.1,993 6,994 1,995 1.125,996 4.054,997 258.48,998 0.125,999 16,1000 141.207,1005 22.134,1006 9.501,1007 5.338,1009 164.195,1010 7.845,1015 1.178,1017 128.05,1018 587.725,1019 41,1024 12.771,1026 4.138,1028 2.188,1031 58.007,1032 64.86,1034 0.228,1035 0.59,1036 0.771,1037 0.849,1038 0.887,1039 0.887,1040 4.99,1041 1.704,1042 5.889,1043 5.134,1044 4.511,1045 5.017,1046 2.271,1047 6.706,1048 4.467,1049 6.214,1050 1.357,1051 7.459,1052 4.848,1053 4.205,1054 4.924,1056 7.644,1057 4.13,1058 7.532,1059 1.147,1060 9.128,1061 3.854,1062 6.111,1063 7.176,1064 2.409,1065 10.751,1066 6.029,1067 8.88,1068 1,1069 10.855,1070 2.585,1071 6.567,1072 7.834,1074 12.522,1075 6.452,1076 10.255,1077 0.822,1078 12.621,1079 2.275,1080 7.997,1081 9.619,1082 2.704,1083 15.186,1084 7.873,1085 11.65,1086 0.079,1087 14.416,1088 1.867,1089 8.815,1090 10.646,1092 17.325,1093 8.66,1094 13.062,1095 -0.051,1096 16.232,1097 0.201,1098 10.065,1099 12.243,1100 3.073,1101 19.836,1102 9.896,1103 3.276,1104 -0.203,1105 18.066,1106 -0.133,1107 11.064,1108 13.47,1110 22.138,1111 10.865,1112 2.858,1113 11.5,1114 19.915,1115 -0.476,1116 12.248,1117 14.984,1118 3.479,1119 24.595,1120 12.032,1121 2.557,1122 9.263,1123 21.775,1124 4.329,1125 13.336,1126 16.319,1128 26.97,1129 13.092,1130 2.368,1131 8.357,1132 23.646,1133 3.678,1134 14.502,1135 17.798,1136 3.905,1137 29.41,1138 14.238,1139 2.257,1140 6.323,1141 25.525,1142 3.307,1143 15.633,1144 19.191,1146 31.818,1147 15.343,1148 2.175,1149 6.106,1150 27.411,1151 2.997,1152 16.797,1153 20.656,1154 4.344,1155 34.255,1156 16.486,1157 2.05,1158 6.03,1159 29.302,1160 2.863,1161 17.95,1162 22.08,1164 36.679,1165 17.615,1166 11559,1167 18608,1168 20.403,1169 37.932,1170 48.024,1171 49.094,1172 50.13,1173 47.407,1174 47.3,1175 60.307,1176 8.937,1177 136.685,1178 46.178,1179 5.562,1180 5.761,1181 6.466,1182 5.351,1183 5.276,1184 7.329,1185 2.555,1186 19.041,1187 5.203,1188 19.295,1189 1.501,1190 1.534,1191 1.567,1192 1.481,1193 1.478,1194 1.885,1195 0.279,1196 4.271,1197 1.443,1198 4.046,1199 4.055,1200 4.007,1201 3.958,1202 7.427,1203 3.967,1204 3.883,1205 3.906,1206 3.826,1207 3.819,1208 6.49,1209 3.817,1210 3.803,1211 3.844,1212 3.692,1213 3.715,1214 6.47,1215 3.704,1216 3.628,1217 3.676,1218 3.515,1219 3.53,1220 6.445,1221 3.518,1222 3.478,1223 3.51,1224 3.381,1225 3.337,1226 4.76,1227 3.342,1228 3.177,1229 3.259,1230 3.051,1231 3.024,1232 4.529,1233 3.001,1234 3.101,1235 3.125,1236 2.972,1237 2.893,1238 4.489,1239 2.924,1240 3.024,1241 3.089,1242 2.823,1243 2.853,1244 4.347,1245 2.83,1246 0.144,1247 0.118,1248 0.216,1249 0.133,1250 0.102,1251 4.616,1252 0.135,1253 3.761,1254 0.04,1255 6.906,1256 0.359,1257 4.254,1258 0.1,1259 3.276,1260 4.329,1261 1.277,1262 11.5,1263 3.203,1264 1.977,1265 1.968,1266 2.068,1267 2.085,1268 1.298,1269 2.075,1270 1.879,1271 1.857,1272 2.025,1273 1.973,1274 1.244,1275 1.99,1276 1.802,1277 1.763,1278 1.95,1279 1.919,1280 1.121,1281 1.933,1282 1.64,1283 1.595,1284 1.848,1285 1.781,1286 0.976,1287 1.807,1288 1.447,1289 1.413,1290 1.653,1291 1.627,1292 0.866,1293 1.633,1294 1.208,1295 1.13,1296 1.547,1297 1.42,1298 0.715,1299 1.468,1300 1.06,1301 0.982,1302 1.417,1303 1.295,1304 0.568,1305 1.337,1306 0.981,1307 0.965,1308 1.41,1309 1.239,1310 0.469,1311 1.308,1312 4.174,1314 5.501,1316 7.017,1318 8.631,1320 10.307,1322 6.142,1327 30.622,1328 2.249,1330 5.902,1332 -0.535,1340 35.949,1341 77.451,1342 200.424,1343 261.849,1344 288.479,1345 301.498,1346 301.498,1347 89.358,1348 7.536,1349 86.99,1350 86.99,1351 18,1352 12.617,1353 4,1354 3.322,1355 55.529,1356 134,1357 150,1358 0.206,1359 222.033,1360 402.37,1361 533.522,1362 18456,1364 21.836,1365 0.728,1366 0.587,1367 21.836,1368 17.605,1369 14.257,1370 0.446,1371 0.316,1372 10.025,1373 13.869,1374 9.643,1375 8.055,1376 14.257,1377 10.115,1378 13.309,1379 0.296,1380 0.178,1381 13.309,1382 7.996,1383 10.368,1384 0.182,1385 0.093,1386 10.368,1387 5.276,1388 8.584,1389 0.116,1390 0.048,1391 8.584,1392 3.543,1393 6.572,1394 0.069,1395 0.025,1396 6.572,1397 2.385,1398 0.328,1399 88.667,1400 0.221,1401 28.68,1402 0.554,1403 154,1404 445.92,1405 166.622,1406 430.041,1407 573.29,1408 398,1409 179,1410 409.091,1411 191.624,1412 416.059,1413 605.55,1414 390,1415 4.039}
{0 CHEMBL374184,1 1.487,2 9.103,3 3.776,4 14.255,5 114.145,6 7.027,7 0.375,8 4.119,9 4.235,10 3.633,11 3.642,12 5.197,13 3.618,14 4.667,15 4.841,16 4.007,17 4.05,18 5.683,19 4.002,20 4.9,21 5.092,22 4.17,23 4.239,24 5.867,25 4.186,26 5.014,27 5.197,28 4.252,29 4.314,30 6.125,31 4.258,32 5.137,33 5.353,34 4.235,35 4.364,36 6.171,37 4.291,38 5.141,39 5.356,40 4.214,41 4.355,42 6.213,43 4.267,44 5.152,45 5.387,46 4.014,47 4.301,48 6.077,49 4.177,50 5.105,51 5.369,52 3.856,53 4.167,54 5.998,55 4.005,56 0.044,57 0.789,58 12.488,59 5.388,60 12.064,61 7.078,62 0.285,63 1.272,64 23.247,65 9.172,66 29.426,67 12.399,68 0.234,69 1.609,70 29.65,71 10.988,72 29.721,73 15.283,74 0.406,75 1.807,76 33.333,77 11.88,78 55.365,79 16.502,80 0.411,81 1.961,82 38.841,83 13.01,84 62.067,85 18.509,86 0.525,87 1.946,88 38.872,89 13.44,90 75.401,91 19.153,92 0.402,93 1.88,94 39.929,95 13.929,96 56.662,97 19.726,98 0.652,99 1.672,100 39.129,101 14.09,102 64.677,103 20.224,104 32,105 46,106 0.245,107 0.618,108 0.815,109 0.845,110 0.856,111 0.856,112 3.41,113 0.948,114 -4.12,115 -4.06,116 -3.84,121 41.1,122 2,123 4,124 1,126 1,127 1,138 1,141 1,144 4,145 3,146 2,148 1,149 1,158 1,165 1,166 1,167 1,176 11,179 1,180 10,183 1,185 3,187 15,189 2,192 7,197 3,200 13,203 2,205 1,206 11,208 2,209 3,211 8,214 12,216 4,219 9,224 5,227 10,229 3,231 1,232 11,234 1,235 2,236 1,237 6,238 1,239 16,241 3,244 1,249 1,251 12,255 3,256 5,258 1,259 2,261 3,264 10,266 1,269 2,274 1,277 3,281 1398,282 19.792,283 19.792,284 19.792,285 19.792,286 19.792,287 17.778,288 26.653,289 11.553,290 20.236,291 15.676,292 15.676,293 15.676,294 15.676,295 15.676,296 12.528,297 30.813,298 5.284,299 16.215,300 4.32,301 2.057,302 0.862,303 0.683,304 0.612,305 0.612,306 4.104,311 1,312 1,313 566,314 3.317,318 248.046,322 199.141,325 1.17,326 29.637,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 62.5,338 264,339 4.717,340 3.794,341 7.192,342 4.394,343 3.408,344 4.381,345 1.36,346 12.665,347 3.361,348 4.339,349 3.256,350 6.601,351 3.975,352 2.989,353 3.856,354 1.216,355 10.404,356 2.946,357 4.026,358 2.98,359 6.056,360 3.603,361 2.627,362 3.59,363 0.986,364 8.468,365 2.568,366 3.756,367 2.818,368 5.745,369 3.412,370 2.435,371 3.1,372 0.86,373 7.727,374 2.375,375 3.614,376 2.74,377 5.342,378 3.206,379 2.265,380 2.912,382 6.768,383 2.125,384 3.381,385 2.412,386 5.238,387 3.023,388 2.06,389 2.65,391 6.251,392 1.976,393 3.164,394 2.197,395 4.85,396 2.808,397 1.848,398 2.282,400 5.093,401 1.769,402 2.583,403 1.832,404 4.504,405 2.433,406 1.443,407 1.583,409 4.006,410 1.427,411 2.5,412 1.489,413 3.864,414 2.339,415 1.376,416 1.5,418 3.074,419 1.319,420 2.48,421 1.465,422 3.654,423 2,424 1,425 1.477,427 2.431,428 1,429 2.114,430 1.259,431 3.414,432 1.96,433 1,434 1.067,436 2.275,437 0.956,438 1.995,439 1.049,440 3.408,441 1.848,442 0.896,443 0.952,445 1.621,446 0.846,447 1.638,448 1,449 3.113,450 1.373,451 0.497,452 0.549,454 0.781,455 0.431,456 1.33,457 0.511,458 2.851,459 1.049,460 0.09,461 0.104,463 0.233,464 0.086,465 1.058,466 0.241,467 2.735,468 0.859,469 -0.101,470 -0.112,472 -0.258,473 -0.096,474 13.7,475 0.472,476 0.713,477 0.025,478 35,479 1.207,480 16.5,481 0.569,482 18.5,483 0.638,484 29.538,485 1.019,486 31.9,487 0.57,488 27.381,489 0.944,490 6.608,491 0.228,492 7.437,493 0.256,494 0.163,496 0.401,501 0.942,502 1.217,503 0.858,504 1.098,505 1.027,506 0.983,507 0.871,508 1.035,509 0.797,510 0.93,511 0.599,512 0.871,513 1.01,514 1.116,515 0.865,516 0.948,517 0.875,518 0.892,519 1.05,520 1.185,521 1.038,522 1.106,523 1.229,524 1.072,525 1.212,526 1.077,527 1.046,528 0.973,529 1.423,530 0.971,531 0.955,532 1.108,533 1.057,534 1.092,535 0.983,536 1.083,537 1.115,538 1.071,539 1.166,540 1.131,541 1.257,542 1.145,543 0.615,544 0.977,545 0.946,546 1.088,547 0.711,548 1.077,549 5,550 0.074,551 3.333,552 2.75,553 2.836,554 1.708,555 1.01,556 0.715,557 0.345,558 0.196,559 8846,560 21064,561 2.07,562 48.2,563 7,564 9,567 3,568 5,569 3,572 1.731,573 1.912,574 3.115,575 0.857,577 1,582 83.278,583 1.487,584 3.75,585 4.945,586 5.124,587 5.195,588 5.195,589 2.555,590 4.487,591 4.824,592 3.277,593 1330.48,594 8.472,595 16977.1,597 1,599 1,600 325.212,601 1.487,602 4.777,603 0.156,604 0.007,605 0.072,606 0.051,607 0.051,608 0.031,609 0.019,610 0.017,611 0.01,612 0.009,613 0.425,614 0.33,615 1,616 1.206,617 142.256,618 -0.067,619 -0.022,620 0.042,621 0.014,622 -0.116,623 0.043,624 0.1,625 0.047,626 0.149,627 0.127,628 0.146,629 0.139,630 -0.078,631 -0.027,632 0.086,633 0.079,634 -0.058,635 0.102,636 0.005,637 -0.064,638 -0.074,639 -0.104,640 0.02,641 -0.105,642 -0.155,643 -0.009,644 -0.064,645 0.001,646 -0.134,647 -0.011,648 0.047,649 -0.047,650 -0.084,651 -0.11,652 0.121,653 -0.115,654 -0.135,655 -0.068,656 -0.189,657 -0.151,658 -0.199,659 -0.169,660 0.284,661 -0.07,662 0.034,663 -0.103,664 0.151,665 -0.077,666 1.78,667 4.722,668 0.69,669 24.421,670 0.998,671 1.127,672 2.886,673 8.328,674 0.652,675 3.497,676 3.85,677 4.205,678 4.554,679 4.875,680 5.056,681 5.242,682 5.451,683 5.557,684 5.537,685 5.53,686 0.617,687 393.53,688 3.497,689 5.056,690 5.943,691 6.858,692 7.77,693 8.698,694 9.622,695 10.556,696 11.486,697 12.423,698 5.4,702 1,707 1,708 1,715 4,716 1,720 7,722 12,733 1,739 1,741 56,743 14,744 1,745 32,747 59,748 23,749 11,750 2,751 4,752 3,756 4,757 7,763 2,767 4,768 1,770 4,772 14,773 9,774 1,777 2,785 1,786 3,790 1,793 27,794 6,795 3,796 6,802 3,808 0.5,809 3,822 1,829 4,833 2,839 1,850 1,857 1,858 1,859 2,864 3,868 29,869 1,875 1,876 5,878 2,880 1,893 5.4,895 1,897 1,898 1,901 15.167,902 10.933,903 6.5,904 3.597,907 2.904,908 1.366,909 0.965,910 5.616,911 10.836,912 3.714,913 4.331,914 4.942,915 5.553,916 6.162,917 6.553,918 6.998,919 7.448,920 7.792,921 7.993,922 1,923 54,924 10.767,926 4.611,927 0.026,929 7.655,931 20.776,933 17.328,936 2.155,937 62.5,939 1,940 1,941 282.506,942 110.773,943 66.468,945 64.683,948 110.773,949 347.19,950 66.468,951 28.533,952 14.731,953 70.802,954 73.226,955 52.304,956 2.328,957 282.506,959 282.506,960 177.241,961 64.683,964 247.193,965 88.997,966 11,968 51.923,969 108.532,970 16.786,972 282.506,973 131.151,974 110.773,977 282.506,978 44.334,979 66.438,981 131.151,982 282.506,983 131.151,984 110.773,986 0.579,987 0.359,988 0.21,989 0.121,990 23,991 11,992 0.068,993 4,994 2,995 1.2,996 3.769,997 278.362,998 0.2,999 20,1000 134.881,1005 19.931,1006 8.172,1007 3.537,1009 131.151,1010 7.801,1011 4.877,1015 6.163,1017 75.581,1018 524.43,1019 40,1027 4.712,1028 1.207,1031 55.891,1032 63.106,1034 0.256,1035 0.646,1036 0.852,1037 0.882,1038 0.895,1039 0.895,1040 4.984,1041 1.443,1042 5.948,1043 5.093,1044 4.533,1045 5.017,1046 2.318,1047 6.841,1048 4.477,1049 6.206,1050 1.376,1051 7.555,1052 4.006,1053 4.205,1054 4.924,1055 1.06,1056 7.912,1057 4.141,1058 7.542,1059 1,1060 9.267,1061 3.074,1062 6.192,1063 7.235,1064 2.502,1065 11.093,1066 6.101,1067 8.916,1068 1,1069 11.042,1070 2.431,1071 6.698,1072 7.941,1073 1.679,1074 13.013,1075 6.602,1076 10.323,1077 0.896,1078 12.856,1079 2.275,1080 8.168,1081 9.748,1082 2.812,1083 15.738,1084 8.053,1085 11.753,1086 0.497,1087 14.699,1088 1.621,1089 9.056,1090 10.82,1091 2.248,1092 18.013,1093 8.936,1094 13.201,1095 0.09,1096 16.563,1097 0.781,1098 10.338,1099 12.425,1100 3.209,1101 20.595,1102 10.204,1103 3.408,1104 -0.101,1105 18.443,1106 0.233,1107 11.401,1108 13.682,1109 2.825,1110 23.019,1111 11.259,1112 2.989,1113 12.665,1114 20.337,1115 -0.258,1116 12.621,1117 15.2,1118 3.664,1119 25.558,1120 12.466,1121 2.627,1122 10.404,1123 22.242,1124 4.381,1125 13.764,1126 16.553,1127 3.415,1128 28.043,1129 13.599,1130 2.435,1131 8.468,1132 24.155,1133 3.856,1134 14.967,1135 18.034,1136 4.159,1137 30.572,1138 14.79,1139 2.265,1140 7.727,1141 26.077,1142 3.59,1143 16.147,1144 19.439,1145 4.015,1146 33.083,1147 15.957,1148 2.06,1149 6.768,1150 28.005,1151 3.1,1152 17.35,1153 20.906,1154 4.682,1155 35.612,1156 17.148,1157 1.848,1158 6.251,1159 29.938,1160 2.912,1161 18.547,1162 22.339,1163 4.622,1164 38.135,1165 18.332,1166 8634,1167 13444,1168 21.096,1169 36.517,1170 48.271,1171 48.784,1172 51.21,1173 47.807,1174 47.867,1175 60.008,1176 8.844,1177 143.593,1178 46.37,1179 5.662,1180 5.794,1181 6.961,1182 5.447,1183 5.408,1184 7.381,1185 2.576,1186 20.359,1187 5.361,1188 15.235,1189 1.508,1190 1.524,1191 1.6,1192 1.494,1193 1.496,1194 1.875,1195 0.276,1196 4.487,1197 1.449,1198 4.091,1199 4.12,1200 4.054,1201 4.01,1202 6.473,1203 4.016,1204 3.883,1205 3.912,1206 3.819,1207 3.805,1208 5.124,1209 3.804,1210 3.726,1211 3.759,1212 3.655,1213 3.607,1214 4.869,1215 3.612,1216 3.519,1217 3.577,1218 3.379,1219 3.325,1220 4.78,1221 3.328,1222 3.381,1223 3.454,1224 3.225,1225 3.223,1226 4.523,1227 3.21,1228 3.272,1229 3.331,1230 3.127,1231 3.044,1232 4.377,1233 3.053,1234 3.15,1235 3.224,1236 2.994,1237 2.939,1238 4.341,1239 2.934,1240 3.096,1241 3.178,1242 2.898,1243 2.88,1244 3.971,1245 2.872,1246 0.147,1247 0.119,1248 0.225,1249 0.137,1250 0.107,1251 4.717,1252 0.137,1253 3.794,1254 0.043,1255 7.192,1256 0.396,1257 4.394,1258 0.105,1259 3.408,1260 4.381,1261 1.36,1262 12.665,1263 3.361,1264 2.033,1265 2.008,1266 2.122,1267 2.133,1268 1.427,1269 2.13,1270 1.877,1271 1.848,1272 2.015,1273 1.981,1274 1.259,1275 1.992,1276 1.696,1277 1.663,1278 1.848,1279 1.852,1280 0.964,1281 1.851,1282 1.482,1283 1.421,1284 1.788,1285 1.724,1286 0.93,1287 1.745,1288 1.381,1289 1.317,1290 1.621,1291 1.577,1292 0.773,1293 1.596,1294 1.218,1295 1.155,1296 1.566,1297 1.512,1298 0.722,1299 1.53,1300 1.128,1301 1.05,1302 1.453,1303 1.367,1304 0.595,1305 1.389,1306 1.095,1307 1.016,1308 1.368,1309 1.35,1310 0.533,1311 1.365,1312 4.174,1314 5.517,1316 7.084,1318 8.762,1320 10.501,1322 5.359,1326 6.712,1327 10.722,1328 4.458,1330 10.796,1332 -0.306,1340 34.53,1341 83.278,1342 210.018,1343 276.947,1344 286.947,1345 290.947,1346 290.947,1347 53.717,1348 7.932,1349 89.96,1350 89.96,1351 24,1352 12.922,1353 3.907,1354 3.17,1355 44.126,1356 90,1357 122,1358 0.234,1359 210.773,1360 373.47,1361 506.047,1362 28325,1364 20.543,1365 0.708,1366 0.592,1367 20.543,1368 17.158,1369 14.045,1370 0.439,1371 0.316,1372 9.983,1373 13.515,1374 9.671,1375 8.027,1376 14.045,1377 10.113,1378 12.463,1379 0.271,1380 0.162,1381 12.463,1382 7.45,1383 11.035,1384 0.167,1385 0.087,1386 11.035,1387 5.737,1388 9.869,1389 0.105,1390 0.046,1391 9.869,1392 4.338,1393 8.203,1394 0.063,1395 0.025,1396 8.203,1397 3.216,1398 0.349,1399 87.978,1400 0.218,1401 26.539,1402 0.71,1403 156,1404 424.223,1405 169.936,1406 407.258,1407 569,1408 384,1409 190,1410 429.509,1411 203.303,1412 434.759,1413 644.96,1414 410,1415 6.963}
{0 CHEMBL374331,1 1.469,2 8.773,3 3.775,4 14.248,5 87.807,6 7.359,7 0.5,8 3.774,9 3.891,10 3.333,11 3.358,12 4.893,13 3.329,14 4.298,15 4.476,16 3.717,17 3.745,18 5.372,19 3.704,20 4.494,21 4.655,22 3.833,23 3.875,24 5.761,25 3.822,26 4.647,27 4.863,28 3.64,29 3.846,30 5.733,31 3.738,32 4.632,33 4.895,34 3.425,35 3.674,36 5.678,37 3.546,38 4.397,39 4.667,40 3.29,41 3.528,42 5.359,43 3.418,44 4.273,45 4.516,46 3.376,47 3.532,48 5.32,49 3.446,50 4.199,51 4.388,52 3.293,53 3.486,54 5.401,55 3.403,56 0.014,57 0.557,58 7.951,59 3.658,60 5.263,61 4.784,62 0.153,63 0.914,64 15.036,65 6.073,66 12.681,67 8.236,68 0.215,69 1.079,70 18.197,71 7.364,72 42.505,73 9.834,74 0.213,75 1.211,76 22.912,77 8.467,78 39.728,79 11.649,80 0.335,81 1.119,82 24.677,83 8.26,84 59.378,85 11.528,86 0.241,87 0.906,88 19.375,89 6.513,90 38.669,91 9.196,92 0.13,93 0.793,94 16.306,95 6.315,96 24.435,97 8.682,98 0.152,99 0.724,100 14.54,101 5.788,102 32.528,103 7.391,104 26,105 35,106 0.26,107 0.577,108 0.7,109 0.79,110 0.844,111 0.871,112 3.147,113 0.907,114 -4.54,115 -4.47,116 -4.21,121 45,122 3,128 1,144 6,145 4,146 2,159 1,160 1,176 11,179 1,180 3,183 1,185 2,187 13,191 2,192 4,197 3,200 10,206 7,209 1,211 4,214 3,219 6,222 1,224 3,227 1,232 4,237 1,239 4,244 6,251 10,256 5,264 12,269 3,277 9,281 572,282 14.483,283 14.483,284 14.483,285 14.483,286 14.483,287 12.715,288 18.155,289 8.238,290 14.596,291 11.758,292 11.758,293 11.758,294 11.758,295 11.758,296 9.02,297 26.283,298 3.849,299 11.914,300 3.853,301 2.065,302 1.37,303 0.863,304 0.557,305 0.407,306 3.821,310 1,311 1,312 1,313 412,314 2.55,317 45.333,318 124.824,321 85.987,325 1.107,326 22.396,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 47,338 193,339 4.584,340 3.979,341 6.968,342 4.291,343 3.303,344 4.129,345 1.219,346 11.718,347 3.264,348 4.342,349 3.144,350 6.198,351 3.953,352 2.962,353 4.032,354 0.557,355 9.149,356 2.936,357 3.679,358 2.982,359 5.662,360 3.351,361 2.368,362 3.037,363 0.21,364 7.214,365 2.327,366 3.604,367 2.775,368 5.609,369 3.172,370 2.166,371 2.964,373 6.965,374 2.182,375 3.349,376 2.601,377 5.537,378 3.077,379 2.084,380 2.486,382 6.599,383 2.04,384 3.028,385 2.012,386 4.5,387 2.655,388 1.666,389 2.214,391 4.572,392 1.646,393 2.842,394 1.816,395 3.819,396 2.361,397 1.354,398 1.97,400 2.966,401 1.36,402 2.469,403 1.394,404 3.641,405 2.086,406 1.116,407 1.427,409 2.761,410 1.079,411 2.212,412 1.311,413 3.466,414 1.814,415 0.809,416 1.024,418 1.955,419 0.806,420 1.801,421 1.056,422 3.069,423 1.457,424 0.428,425 0.539,427 0.999,428 0.435,429 1.286,430 0.5,431 2.667,432 0.961,433 -0.065,434 -0.087,436 -0.152,437 -0.066,438 0.86,439 -0.018,440 2.575,441 0.506,442 -0.492,443 -0.61,445 -1.232,446 -0.49,447 0.765,448 -0.165,449 2.337,450 0.4,451 -0.598,452 -0.731,454 -1.459,455 -0.592,456 0.573,457 -0.319,458 2,459 0.194,460 -0.805,461 -1.005,463 -1.961,464 -0.8,465 0.376,466 -0.741,467 2,468 0.066,469 -0.932,470 -1.309,472 -2.27,473 -0.929,474 10.467,475 0.476,476 0.686,477 0.031,478 29.75,479 1.352,480 16,481 0.727,482 13.75,483 0.625,484 16.474,485 0.749,486 23.133,487 0.578,488 20.924,489 0.951,490 6,491 0.273,492 4.486,493 0.204,494 0.207,496 0.42,501 0.637,502 1.231,503 0.782,504 1.027,505 0.543,506 0.936,507 0.619,508 0.907,509 0.707,510 0.812,511 0.541,512 0.77,513 0.724,514 1.299,515 0.945,516 1.191,517 0.681,518 1.111,519 0.976,520 1.313,521 1.167,522 1.261,523 0.891,524 1.24,525 1.212,526 0.978,527 1.045,528 0.935,529 1.188,530 0.96,531 1.104,532 0.712,533 0.915,534 0.697,535 0.937,536 0.752,537 0.806,538 0.71,539 0.706,540 0.755,541 0.756,542 0.717,543 1.394,544 0.921,545 1.131,546 1.047,547 1.505,548 1.057,549 4.5,550 0.037,551 3.556,552 2.611,553 1.187,554 0.57,555 0.456,556 0.4,557 0.279,558 0.157,559 4691,560 11821,561 2.017,562 45,563 9,564 6,565 2,567 1,572 1.646,573 1.833,574 3.104,575 -0.354,577 1,579 1,582 58.76,583 1.469,584 3.257,585 3.952,586 4.459,587 4.765,588 4.915,589 2.402,590 3.88,591 4.437,592 3.223,593 744.495,594 7.621,595 8131.6,596 1,597 1,598 1,599 1,600 212.877,601 1.544,602 4.36,603 0.188,604 0.007,605 0.102,606 0.071,607 0.042,608 0.026,609 0.022,610 0.017,611 0.013,612 0.012,613 0.499,614 0.67,615 1,616 0.688,617 100.295,618 -0.024,619 -0.1,620 0.041,621 -0.012,622 -0.059,623 0.017,624 0.129,625 0.188,626 0.194,627 0.168,628 0.038,629 0.186,630 0.213,631 -0.236,632 -0.037,633 -0.213,634 0.197,635 -0.169,636 -0.023,637 -0.299,638 -0.207,639 -0.31,640 -0.019,641 -0.29,642 -0.051,643 -0.03,644 -0.005,645 0.003,646 -0.043,647 0.004,648 -0.116,649 0.266,650 0.108,651 0.246,652 -0.047,653 0.223,654 0.027,655 0.237,656 0.273,657 0.241,658 0.089,659 0.291,660 -0.178,661 0.033,662 -0.163,663 -0.049,664 -0.119,665 -0.092,666 2.143,667 5.126,668 0.682,669 14.636,670 0.998,671 1.118,672 3.315,673 10.989,674 0.675,675 3.219,676 3.584,677 3.892,678 4.127,679 4.317,680 4.277,681 4.304,682 4.407,683 4.419,684 4.443,685 5.282,686 0.642,687 294.38,688 3.219,689 4.779,690 5.652,691 6.547,692 7.438,693 8.335,694 9.231,695 10.131,696 11.03,697 11.93,698 5,703 1,705 1,715 6,720 6,722 12,727 1,734 1,741 40,743 14,744 2,745 24,747 42,748 18,749 12,750 6,751 6,752 2,756 3,757 4,763 3,772 14,773 4,777 2,782 2,786 2,790 1,793 18,794 4,795 1,796 4,802 2,808 0.667,809 2,828 1,829 2,832 1,844 1,859 2,864 3,868 22,876 1,877 1,881 1,893 5,896 2,901 12,902 8.283,903 4.778,904 2.367,907 2.396,908 1.348,909 0.99,910 3.652,911 9.276,912 3.497,913 4.111,914 4.691,915 5.18,916 5.665,917 5.71,918 5.841,919 6.082,920 6.26,921 6.538,922 0.833,923 37,924 8.165,926 3.51,927 0.026,929 7.833,931 15.473,933 12.694,936 2.333,937 51.333,940 1,941 200.109,942 113.104,943 21.135,945 50.29,948 113.104,949 250.399,950 21.135,951 26.476,952 4.801,953 56.857,954 78.139,955 18.256,956 23.542,957 176.567,959 200.109,960 134.239,961 50.29,964 200.109,965 50.29,968 31.277,969 84.951,970 18.011,972 200.109,973 71.425,974 113.104,977 200.109,978 29.771,979 86.457,980 18.011,981 50.29,982 200.109,983 71.425,984 113.104,986 0.598,987 0.369,988 0.19,989 0.101,990 18,991 9,992 0.071,993 3,994 1,995 1.133,996 3.329,997 174.938,998 0.133,999 15,1000 98.107,1005 14.643,1006 5.487,1007 2.51,1009 71.425,1010 11.277,1015 5.679,1017 18.011,1018 384.638,1019 32,1024 24.091,1028 -0.913,1031 39.927,1032 44.737,1034 0.276,1035 0.612,1036 0.743,1037 0.838,1038 0.895,1039 0.924,1040 4.754,1041 1.116,1042 5.673,1043 2.966,1044 4.263,1045 4.796,1046 1.509,1047 6.538,1048 4.241,1049 5.985,1050 0.809,1051 7.28,1052 2.761,1053 4.007,1054 4.718,1055 0.325,1056 7.548,1057 3.986,1058 7.314,1059 0.428,1060 8.987,1061 1.955,1062 5.916,1063 6.994,1064 1.598,1065 10.678,1066 5.869,1067 8.679,1068 -0.065,1069 10.75,1070 0.999,1071 6.463,1072 7.692,1073 0.705,1074 12.514,1075 6.417,1076 10.075,1077 -0.492,1078 12.547,1079 -0.152,1080 7.889,1081 9.484,1082 1.817,1083 15.187,1084 7.82,1085 11.494,1086 -0.598,1087 14.368,1088 -1.232,1089 8.792,1090 10.535,1091 1.105,1092 17.38,1093 8.72,1094 12.93,1095 -0.805,1096 16.207,1097 -1.459,1098 10.047,1099 12.131,1100 2.087,1101 19.903,1102 9.957,1103 3.303,1104 -0.932,1105 18.06,1106 -1.961,1107 11.106,1108 13.355,1109 1.518,1110 22.25,1111 11.008,1112 2.962,1113 11.718,1114 19.925,1115 -2.27,1116 12.303,1117 14.859,1118 2.385,1119 24.724,1120 12.19,1121 2.368,1122 9.149,1123 21.799,1124 4.129,1125 13.428,1126 16.17,1127 1.94,1128 27.135,1129 13.306,1130 2.166,1131 7.214,1132 23.682,1133 4.032,1134 14.608,1135 17.629,1136 2.702,1137 29.595,1138 14.472,1139 2.084,1140 6.965,1141 25.573,1142 3.037,1143 15.763,1144 18.986,1145 2.365,1146 32.034,1147 15.616,1148 1.666,1149 6.599,1150 27.47,1151 2.964,1152 16.939,1153 20.421,1154 3.035,1155 34.491,1156 16.78,1157 1.354,1158 4.572,1159 29.373,1160 2.486,1161 18.108,1162 21.802,1163 2.791,1164 36.941,1165 17.938,1166 4626,1167 7493,1168 15.433,1169 27.012,1170 37.154,1171 39.035,1172 38.602,1173 36.517,1174 36.513,1175 47.648,1176 3.971,1177 109.793,1178 36.153,1179 5.511,1180 5.979,1181 6.646,1182 5.344,1183 5.303,1184 7.129,1185 2.319,1186 18.902,1187 5.264,1188 12.76,1189 1.548,1190 1.626,1191 1.608,1192 1.522,1193 1.521,1194 1.985,1195 0.165,1196 4.575,1197 1.506,1198 4.034,1199 4.062,1200 3.996,1201 3.943,1202 7.497,1203 3.948,1204 3.948,1205 3.973,1206 3.895,1207 3.886,1208 7.352,1209 3.886,1210 3.495,1211 3.548,1212 3.417,1213 3.306,1214 4.765,1215 3.329,1216 3.351,1217 3.408,1218 3.227,1219 3.201,1220 4.695,1221 3.193,1222 3.234,1223 3.302,1224 3.067,1225 3.045,1226 4.172,1227 3.041,1228 3.108,1229 3.201,1230 2.901,1231 2.908,1232 3.974,1233 2.897,1234 2.893,1235 2.973,1236 2.708,1237 2.718,1238 3.822,1239 2.702,1240 2.761,1241 2.856,1242 2.545,1243 2.565,1244 3.642,1245 2.535,1246 0.191,1247 0.166,1248 0.29,1249 0.179,1250 0.138,1251 4.584,1252 0.172,1253 3.979,1254 0.051,1255 6.968,1256 0.488,1257 4.291,1258 0.136,1259 3.303,1260 4.129,1261 1.219,1262 11.718,1263 3.264,1264 1.961,1265 1.934,1266 2.078,1267 2.051,1268 1.239,1269 2.061,1270 1.879,1271 1.856,1272 1.982,1273 1.959,1274 1.093,1275 1.968,1276 1.48,1277 1.443,1278 1.688,1279 1.744,1280 0.822,1281 1.713,1282 1.35,1283 1.29,1284 1.617,1285 1.552,1286 0.74,1287 1.585,1288 1.213,1289 1.148,1290 1.553,1291 1.448,1292 0.624,1293 1.477,1294 1.124,1295 1.047,1296 1.332,1297 1.381,1298 0.367,1299 1.387,1300 0.907,1301 0.823,1302 1.241,1303 1.147,1304 0.29,1305 1.182,1306 0.795,1307 0.73,1308 1.073,1309 0.988,1310 0.149,1311 1.024,1312 3.892,1314 5.242,1315 2.398,1316 6.79,1317 4.949,1318 8.426,1319 7.195,1320 10.107,1322 6.157,1328 0.283,1329 3.268,1333 1.492,1340 25.687,1341 58.76,1342 130.294,1343 158.083,1344 178.348,1345 190.612,1346 196.612,1347 39.743,1348 6.88,1349 51.1,1350 51.1,1351 17,1352 12.452,1353 3.907,1354 3.17,1355 34.476,1356 71,1357 62,1358 0.246,1359 159.414,1360 279.54,1361 380.731,1362 8099,1364 15.853,1365 0.721,1366 0.588,1367 15.853,1368 12.935,1369 10.486,1370 0.437,1371 0.302,1372 7.184,1373 10.205,1374 6.862,1375 5.761,1376 10.486,1377 7.257,1378 9.735,1379 0.278,1380 0.162,1381 9.735,1382 5.666,1383 8.67,1384 0.181,1385 0.086,1386 8.67,1387 4.147,1388 6.782,1389 0.111,1390 0.045,1391 6.782,1392 2.72,1393 5.431,1394 0.073,1395 0.024,1396 5.431,1397 1.812,1398 0.379,1399 65.063,1400 0.255,1401 21.415,1402 0.693,1403 118,1404 331.449,1405 126.842,1406 324.44,1407 443.14,1408 302,1409 142,1410 325.484,1411 152.146,1412 334.337,1413 491.41,1414 313,1415 4}
{0 CHEMBL374629,1 1.562,2 5.462,3 1.613,4 2.601,5 48.336,6 7.964,7 0.429,8 3.203,9 3.304,10 2.819,11 2.8,12 4.399,13 2.788,14 3.706,15 3.85,16 3.192,17 3.17,18 4.926,19 3.144,20 3.899,21 4.071,22 3.213,23 3.187,24 5.36,25 3.149,26 3.79,27 3.993,28 2.826,29 2.991,30 4.996,31 2.899,32 3.627,33 3.882,34 2.397,35 2.596,36 4.776,37 2.494,38 3.137,39 3.4,40 1.915,41 2.165,42 4.14,43 2.046,44 2.831,45 3.039,46 1.534,47 1.671,48 4.248,49 1.604,50 2.14,51 2.279,52 0.514,53 0.712,54 3.761,55 0.756,56 0.032,57 0.3,58 3.777,59 1.986,60 5.441,61 2.362,62 0.101,63 0.48,64 7.265,65 3.408,66 15.625,67 4.3,68 0.254,69 0.542,70 10.006,71 4.044,72 49.199,73 5.134,74 0.128,75 0.481,76 9.291,77 3.734,78 20.32,79 4.82,80 0.198,81 0.383,82 9.304,83 2.906,84 36.334,85 3.833,86 0.101,87 0.238,88 5.512,89 1.77,90 18.893,91 2.431,92 0.119,93 0.143,94 4.177,95 1.258,96 24.4,97 1.405,98 0.135,99 0.05,100 2.324,101 0.405,102 29.267,103 0.127,104 11,105 20,106 0.325,107 0.709,108 0.819,109 0.864,110 0.864,111 0.864,112 2.671,113 0.901,114 -2.82,115 -2.83,116 -2.75,121 45.5,122 1,123 1,144 3,145 2,146 1,159 1,160 1,176 6,180 1,183 1,185 2,187 7,191 1,192 2,195 1,197 2,200 5,206 4,211 2,214 2,219 3,224 1,227 1,232 2,244 2,281 113,282 8.663,283 8.663,284 8.663,285 8.663,286 8.663,287 7.755,288 11.644,289 4.92,290 8.668,291 6.806,292 6.806,293 6.806,294 6.806,295 6.806,296 5.225,297 15.037,298 2.236,299 6.784,300 2.898,301 1.051,302 0.523,303 0.307,304 0.307,305 0.307,306 3.302,311 1,312 1,313 147,314 1.871,317 23.135,318 27.404,321 42.612,325 0.959,326 16.431,329 1,330 0.83,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.85,337 28.5,338 71,339 4.498,340 3.884,341 6.659,342 4.169,343 3.163,344 4.105,345 1.058,346 10.622,347 3.179,348 3.826,349 2.919,350 5.526,351 3.462,352 2.449,353 3.23,355 7.164,356 2.476,357 3.29,358 2.791,359 5.109,360 2.903,361 1.882,362 2.509,364 5.724,365 1.911,366 3.034,367 2.314,368 4.713,369 2.666,370 1.679,371 2.165,373 4.861,374 1.648,375 2.449,376 1.471,377 3.501,378 1.923,379 0.885,380 1.268,382 2.085,383 0.91,384 1.642,385 0.656,386 2.827,387 1.447,388 0.436,389 0.499,391 0.669,392 0.439,393 1.259,394 0.517,395 2.419,396 0.826,397 -0.231,398 -0.341,400 -0.542,401 -0.242,402 0.756,403 -0.016,404 2.264,405 0.382,406 -0.629,407 -0.79,409 -1.416,410 -0.632,411 0.496,412 -0.667,413 2,414 0.018,415 -1,416 -1.427,418 -2.84,419 -1.01,420 0.128,421 -0.914,422 1.441,423 -0.237,424 -1.32,425 -1.701,427 -3.46,428 -1.421,429 -0.481,430 -1.337,431 1.266,432 -0.596,433 -1.599,434 -2,436 -4.314,437 -1.618,438 -0.5,439 -1.516,440 1.061,441 -0.798,442 -1.791,443 -2.186,445 -5.517,446 -1.751,447 -0.58,448 -1.823,449 0.762,450 -0.964,451 -1.925,452 -2.331,454 -6.105,455 -1.89,456 -0.817,457 -2,458 0.453,459 -1,460 -2,461 -3,462 -1.058,463 -6.93,464 -2,474 6.067,475 0.467,476 0.366,477 0.028,478 17.5,479 1.346,480 9.5,481 0.731,482 8,483 0.615,484 7.196,485 0.554,486 13.733,487 0.624,488 10.2,489 0.785,490 3.403,491 0.262,492 2.816,493 0.217,494 0.192,496 0.412,501 0.583,502 1.076,503 0.703,504 0.945,505 0.515,506 0.858,507 0.482,508 1.083,509 0.662,510 0.987,511 0.523,512 0.891,513 0.644,514 1.019,515 0.809,516 1.022,517 0.679,518 0.967,519 0.824,520 1.23,521 1.07,522 1.259,523 0.783,524 1.23,525 1.231,526 0.852,527 1.11,528 0.88,529 1.171,530 0.943,531 0.954,532 0.838,533 1.081,534 0.949,535 0.855,536 1.004,537 2.178,538 0.94,539 1.517,540 1.056,541 2.293,542 1.145,543 5.855,545 3.086,546 0.03,547 6.296,548 0.827,549 3,551 1.778,552 1.451,553 0.528,554 0.396,555 0.137,559 943,560 2952,561 1.992,562 40.9,563 5,564 3,567 1,572 1.487,573 1.814,574 2.511,575 -0.202,579 1,582 34.359,583 1.562,584 3.409,585 3.936,586 4.152,587 4.152,588 4.152,589 1.988,590 3.393,591 3.671,592 2.527,593 197.138,594 6.095,595 1414.1,597 1,600 98.107,601 1.549,602 3.601,603 0.214,605 0.089,606 0.076,607 0.044,608 0.057,609 0.034,613 0.514,614 1,615 1,616 1.057,617 46.22,618 -0.048,619 0.022,620 0.013,621 0.047,622 -0.044,623 0.048,624 0.137,625 -0.055,626 0.15,627 -0.001,628 0.051,629 0.056,630 0.258,631 -0.052,632 0.109,633 -0.059,634 0.222,635 -0.019,636 -0.045,637 -0.304,638 -0.137,639 -0.298,640 -0.013,641 -0.251,642 -0.167,643 0.056,644 -0.026,645 0.044,646 -0.124,647 0.047,648 -0.089,649 0.099,650 -0.025,651 -0.027,652 -0.058,653 0.001,654 -0.424,655 -0.155,656 -0.35,657 -0.137,658 -0.357,659 -0.216,660 -1.852,661 0.711,662 -1.608,663 0.767,664 -1.788,665 -0.18,666 2.191,667 4.184,668 0.692,669 6.189,670 1.013,671 1.117,672 1.594,673 2.542,674 0.68,675 2.708,676 3.045,677 3.332,678 3.555,679 3.689,680 3.664,681 3.638,682 3.401,683 2.565,684 1.609,685 3.347,686 0.662,687 175.2,688 2.708,689 4.234,690 5.094,691 5.979,692 6.86,693 7.751,694 8.638,695 9.531,696 10.42,697 11.314,698 4.5,705 1,715 3,720 3,722 6,727 1,741 22,743 8,744 1,745 14,747 23,748 10,749 6,750 3,751 3,752 2,756 2,757 3,763 1,770 1,772 8,773 2,777 2,782 2,786 2,793 9,794 3,795 1,796 3,802 1,808 0.5,809 2,828 1,829 1,832 1,843 1,859 1,864 1,868 13,876 1,877 1,893 9.1,896 2,901 7.167,902 4.333,903 2.917,904 1.465,907 1.518,908 1.271,909 0.978,910 1.746,911 7.109,912 2.996,913 3.57,914 4.147,915 4.638,916 5.118,917 5.301,918 5.466,919 5.403,920 4.78,921 3.944,922 0.75,923 19,924 4.807,925 -0.003,926 2.088,927 0.026,929 8.141,931 8.906,932 -0.001,933 7.266,934 0.001,936 2.641,937 34.333,938 0.005,941 94.169,942 58.755,943 18.011,945 50.29,948 58.755,949 144.459,950 18.011,951 8.825,952 20.545,953 28.429,954 60.128,955 9.128,957 94.169,959 94.169,960 76.765,961 50.29,964 94.169,965 50.29,968 29.37,969 47.395,972 94.169,973 68.301,974 58.755,977 94.169,978 21.501,979 37.254,980 18.011,981 50.29,982 94.169,983 68.301,984 58.755,986 0.587,987 0.363,988 0.185,989 0.097,990 11,991 5,992 0.043,993 1,994 1,995 1.222,996 2.458,997 80.737,998 0.222,999 9,1000 48.106,1005 8.145,1006 2.787,1007 1.176,1009 68.301,1010 5.42,1015 2.255,1017 18.011,1018 221.224,1019 19,1024 22.154,1028 -0.957,1031 22.291,1032 24.578,1034 0.35,1035 0.764,1036 0.883,1037 0.931,1038 0.931,1039 0.931,1040 4.227,1041 -0.629,1042 5.106,1043 -0.542,1044 3.714,1045 4.248,1046 1.176,1047 5.948,1048 3.723,1049 5.448,1050 -1,1051 6.696,1052 -1.416,1053 3.434,1054 4.182,1056 6.911,1057 3.468,1058 6.772,1059 -1.32,1060 8.383,1061 -2.84,1062 5.342,1063 6.43,1064 1.255,1065 10.008,1066 5.359,1067 8.134,1068 -1.599,1069 10.124,1070 -3.46,1071 5.861,1072 7.134,1074 11.785,1075 5.904,1076 9.526,1077 -1.791,1078 11.899,1079 -4.314,1080 7.284,1081 8.905,1082 1.338,1083 14.414,1084 7.312,1085 10.94,1086 -1.925,1087 13.698,1088 -5.517,1089 8.161,1090 9.961,1092 16.538,1093 8.209,1094 12.371,1095 -2,1096 15.515,1097 -6.105,1098 9.405,1099 11.541,1100 1.422,1101 19.001,1102 9.446,1103 3.163,1105 17.346,1106 -6.93,1107 10.438,1108 12.767,1110 21.269,1111 10.492,1112 2.449,1113 10.622,1114 19.19,1116 11.617,1117 14.261,1118 1.51,1119 23.67,1120 11.669,1121 1.882,1122 7.164,1123 21.043,1124 4.105,1125 12.717,1126 15.575,1128 25.994,1129 12.778,1130 1.679,1131 5.724,1132 22.903,1133 3.23,1134 13.875,1135 17.027,1136 1.599,1137 28.372,1138 13.937,1139 0.885,1140 4.861,1141 24.771,1142 2.509,1143 15.003,1144 18.386,1146 30.72,1147 15.071,1148 0.436,1149 2.085,1150 26.644,1151 2.165,1152 16.154,1153 19.818,1154 1.69,1155 33.088,1156 16.225,1157 -0.231,1158 0.669,1159 28.521,1160 1.268,1161 17.294,1162 21.201,1164 35.445,1165 17.371,1166 1022,1167 1889,1168 8.959,1169 14.96,1170 21.193,1171 22.825,1172 22.443,1173 20.969,1174 20.99,1175 27.551,1176 2.117,1177 62.247,1178 21.128,1179 5.315,1180 5.884,1181 6.206,1182 5.169,1183 5.163,1184 7.105,1185 2.117,1186 17.552,1187 5.179,1188 6.683,1189 1.514,1190 1.63,1191 1.603,1192 1.498,1193 1.499,1194 1.968,1195 0.151,1196 4.446,1197 1.509,1198 4.017,1199 4.038,1200 3.98,1201 3.934,1202 7.499,1203 3.94,1204 3.568,1205 3.609,1206 3.485,1207 3.403,1208 7.352,1209 3.415,1210 3.234,1211 3.292,1212 3.059,1213 3.039,1214 4.707,1215 3.04,1216 2.918,1217 2.971,1218 2.814,1219 2.753,1220 4.045,1221 2.752,1222 2.591,1223 2.627,1224 2.514,1225 2.389,1226 3.847,1227 2.404,1228 2.502,1229 2.555,1230 2.341,1231 2.112,1232 3.473,1233 2.176,1234 2.143,1235 2.277,1236 1.736,1237 1.82,1238 2.975,1239 1.778,1240 1.885,1241 1.969,1242 1.625,1243 1.372,1244 2.56,1245 1.421,1246 0.321,1247 0.277,1248 0.476,1249 0.298,1250 0.226,1251 4.498,1252 0.293,1253 3.884,1254 0.076,1255 6.659,1256 0.759,1257 4.169,1258 0.227,1259 3.163,1260 4.105,1261 1.058,1262 10.622,1263 3.179,1264 1.917,1265 1.894,1266 2.033,1267 1.996,1268 1.213,1269 2.009,1270 1.453,1271 1.419,1272 1.717,1273 1.662,1274 0.856,1275 1.662,1276 1.331,1277 1.288,1278 1.419,1279 1.607,1280 0.342,1281 1.57,1282 0.892,1283 0.838,1284 1.11,1285 1.114,1286 0.229,1287 1.111,1288 0.742,1289 0.676,1290 1.06,1291 0.961,1292 0.061,1293 1,1294 0.291,1295 0.163,1296 0.794,1297 0.669,1299 0.718,1302 0.451,1303 0.349,1305 0.378,1308 0.07,1309 0.325,1311 0.223,1312 3.367,1314 4.691,1315 2.398,1316 6.221,1317 4.844,1318 7.837,1319 7.002,1320 9.5,1322 2.028,1328 0.9,1329 2.533,1340 14.558,1341 34.359,1342 74.988,1343 86.598,1344 91.353,1345 91.353,1346 91.353,1347 20.35,1348 5.591,1349 49.93,1350 49.93,1351 11,1352 11.841,1353 3.17,1354 2.585,1355 19.119,1356 27,1357 26,1358 0.406,1359 92.057,1360 161.32,1361 216.379,1362 1333,1364 9.422,1365 0.725,1366 0.558,1367 9.422,1368 7.256,1369 6.22,1370 0.444,1371 0.3,1372 4.162,1373 6.029,1374 4.046,1375 3.376,1376 6.22,1377 4.207,1378 5.583,1379 0.279,1380 0.151,1381 5.583,1382 3.017,1383 4.975,1384 0.184,1385 0.081,1386 4.975,1387 2.191,1388 3.833,1389 0.113,1390 0.042,1391 3.833,1392 1.414,1393 2.878,1394 0.074,1395 0.023,1396 2.878,1397 0.885,1398 0.582,1399 38.88,1400 0.334,1401 12.786,1402 1.262,1403 68,1404 225.804,1405 74.372,1406 216.753,1407 287.85,1408 200,1409 81,1410 204.526,1411 87.649,1412 207.086,1413 305.17,1414 195,1415 4}
{0 CHEMBL374729,1 1.44,2 6.765,3 2.541,4 6.458,5 68.067,6 7.103,7 0.789,8 3.576,9 3.697,10 3.126,11 3.118,12 4.636,13 3.096,14 4.095,15 4.278,16 3.49,17 3.508,18 5.062,19 3.479,20 4.218,21 4.382,22 3.554,23 3.661,24 5.21,25 3.602,26 4.372,27 4.582,28 3.368,29 3.672,30 5.27,31 3.548,32 4.378,33 4.672,34 3.088,35 3.471,36 5.124,37 3.295,38 3.988,39 4.237,40 2.825,41 3.146,42 4.814,43 3.004,44 3.787,45 4.049,46 2.356,47 2.865,48 4.592,49 2.666,50 3.573,51 3.894,52 1.812,53 2.42,54 4.227,55 2.179,56 0.025,57 0.464,58 6.976,59 2.877,60 6.85,61 3.88,62 0.128,63 0.741,64 12.934,65 4.646,66 12.879,67 6.376,68 0.132,69 0.86,70 14.145,71 5.541,72 13.191,73 7.541,74 0.117,75 0.952,76 17.109,77 6.623,78 17.504,79 9.344,80 0.185,81 0.856,82 18.809,83 6.999,84 19.911,85 10.243,86 0.101,87 0.591,88 12.292,89 4.582,90 13.125,91 6.459,92 0.14,93 0.47,94 10.18,95 3.683,96 12.672,97 5.276,98 0.102,99 0.332,100 8.852,101 3.049,102 11.44,103 4.365,104 11,105 28,106 0.268,107 0.627,108 0.778,109 0.836,110 0.847,111 0.847,112 2.911,113 0.91,114 -2.78,115 -2.8,116 -2.71,121 43.8,122 1,126 2,144 4,145 2,146 1,147 1,148 1,154 2,176 4,180 2,185 3,187 4,189 2,192 2,197 4,199 1,200 5,203 1,206 1,214 4,216 1,219 1,222 1,227 3,229 2,239 1,241 1,244 1,246 1,281 240,282 11.525,283 11.525,284 11.525,285 11.525,286 11.525,287 9.765,288 8.069,289 6.503,290 11.867,291 9.277,292 9.277,293 9.277,294 9.277,295 9.277,296 6.573,297 7.34,298 2.991,299 9.728,300 3.56,301 1.629,302 0.821,303 0.508,304 0.446,305 0.446,306 3.584,311 1,312 1,313 247,314 2.121,317 21.235,318 61.492,321 87.148,325 1.073,326 6.802,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 36,338 115,339 4.769,340 3.329,341 6.891,342 4.264,343 3.288,344 4.868,345 0.86,346 11.533,347 3.212,348 4.149,349 2.903,350 6.163,351 3.688,352 2.732,353 3.84,355 8.843,356 2.61,357 3.668,358 2.606,359 5.392,360 3.239,361 2.306,362 3.089,364 6.751,365 2.146,366 3.386,367 1.959,368 5.172,369 2.883,370 1.912,371 2.804,373 6.025,374 1.851,375 3.198,376 1.851,377 4.893,378 2.712,379 1.764,380 2.494,382 5.198,383 1.666,384 2.677,385 1.284,386 4.059,387 2.194,388 1.204,389 1.76,391 3.202,392 1.191,393 2.091,394 1.098,395 3.361,396 1.642,397 0.719,398 0.943,400 1.643,401 0.658,402 1.586,403 0.718,404 2.84,405 1.278,406 0.382,407 0.447,409 0.66,410 0.34,411 1.443,412 0.344,413 2.787,414 1.121,415 0.157,416 0.195,418 0.337,419 0.151,420 0.903,421 -0.251,422 2.441,423 0.454,424 -0.491,425 -0.653,427 -1.123,428 -0.459,429 0.647,430 -0.725,431 2.338,432 0.159,433 -0.831,434 -1.205,436 -2.517,437 -0.821,438 0.397,439 -0.818,440 2.092,441 -0.054,442 -1,443 -1.288,445 -2.652,446 -0.933,447 0.043,448 -1.135,449 1.637,450 -0.358,451 -1.317,452 -1.745,454 -3.6,455 -1.244,456 -0.167,457 -1.228,458 1.504,459 -0.463,460 -1.4,461 -1.827,463 -3.982,464 -1.319,465 -0.299,466 -1.345,467 1.288,468 -0.703,469 -1.592,470 -2.045,472 -4.411,473 -1.425,474 8.133,475 0.478,476 0.469,477 0.028,478 22.75,479 1.338,480 11.5,481 0.676,482 11.25,483 0.662,484 11.491,485 0.676,486 17.967,487 0.561,488 14.02,489 0.825,490 4.68,491 0.275,492 3.523,493 0.207,494 0.184,496 0.418,501 0.961,502 1.334,503 0.817,504 1.084,505 0.984,506 0.952,507 1.387,508 0.915,509 0.776,510 0.68,511 0.947,512 0.656,513 1.1,514 1.074,515 1.041,516 1.024,517 0.91,518 1.021,519 0.92,520 1.258,521 1.246,522 1.289,523 1.167,524 1.296,525 0.543,526 0.846,527 0.834,528 0.922,529 0.657,530 0.912,531 1.067,532 1.106,533 1.068,534 1.128,535 1.003,536 1.109,537 0.949,538 1.063,539 1.301,540 1.264,541 1.278,542 1.315,543 1.299,544 0.823,545 0.962,546 0.886,547 1.224,548 0.905,549 3.5,551 2.444,552 1.576,553 1.173,554 0.594,555 0.278,556 0.147,557 0.045,559 2129,560 4692,561 2.091,562 46.9,564 10,566 1,567 1,568 3,572 1.574,573 1.925,574 2.778,575 -0.314,577 1,578 1,579 1,582 46.094,583 1.44,584 3.371,585 4.179,586 4.492,587 4.554,588 4.554,589 2.257,590 3.735,591 4.058,592 2.811,593 382.305,594 6.885,595 3284.07,596 1,597 1,599 1,600 160,601 1.496,602 4.004,603 0.184,605 0.087,606 0.054,607 0.053,608 0.037,609 0.023,610 0.024,611 0.015,613 0.479,614 1,615 1,616 0.922,617 68.132,618 -0.011,619 -0.19,620 0.075,621 -0.075,622 -0.097,623 -0.003,624 -0.141,625 0.169,626 0.189,627 0.289,628 0.058,629 0.28,630 -0.099,631 0.033,632 -0.123,633 -0.04,634 -0.023,635 -0.079,636 -0.133,637 -0.228,638 -0.326,639 -0.316,640 -0.299,641 -0.337,642 0.175,643 0.042,644 0.147,645 0.049,646 0.213,647 0.09,648 -0.059,649 -0.184,650 -0.093,651 -0.158,652 -0.002,653 -0.135,654 0.067,655 -0.14,656 -0.321,657 -0.316,658 -0.218,659 -0.356,660 -0.047,661 -0.053,662 0.095,663 0.065,664 0.025,665 0.085,666 0.774,667 1.775,668 0.765,669 9.315,670 0.993,671 1.122,672 1.554,673 2.414,674 0.669,675 2.996,676 3.367,677 3.714,678 4.007,679 4.29,680 4.419,681 4.522,682 4.615,683 4.454,684 4.234,685 3.97,686 0.631,687 227.31,688 2.996,689 4.554,690 5.442,691 6.351,692 7.262,693 8.179,694 9.097,695 10.018,696 10.939,697 11.861,698 6.3,706 1,708 1,714 4,715 5,717 1,720 2,721 1,722 15,739 1,741 32,743 15,744 1,745 19,747 34,748 14,749 11,750 3,751 3,756 3,757 6,763 1,772 11,773 3,790 1,793 15,794 1,795 1,796 3,802 2,803 1,808 0.333,809 1,822 1,824 1,828 1,829 2,832 2,859 1,864 3,868 17,878 1,893 3.1,898 1,901 8.833,902 6.833,903 3.722,904 1.868,907 3.25,908 1.489,909 1.029,910 2.331,911 9.892,912 3.314,913 4.065,914 4.808,915 5.529,916 6.199,917 6.683,918 7.176,919 7.652,920 7.806,921 7.986,922 0.8,923 29,924 6.243,926 2.605,927 0.026,929 7.5,931 12.179,933 10.006,936 2,937 34,938 0.003,941 164.795,942 92.491,943 18.685,945 11,948 92.491,949 175.795,950 18.685,951 28.105,953 37.905,954 13.67,955 49.979,956 4.288,957 153.024,959 164.795,960 111.176,961 11,964 164.795,965 11,968 37.415,969 71.862,970 1.899,972 164.795,973 29.685,974 92.491,977 164.795,978 17.434,979 76.956,980 16.786,981 11,982 164.795,983 29.685,984 92.491,986 0.593,987 0.369,988 0.195,989 0.113,990 16,991 7,992 0.029,993 1,994 2,995 1.308,996 2.866,997 127.689,998 0.308,999 13,1000 67.487,1005 10.599,1006 3.739,1007 1.516,1008 4.797,1009 11,1010 10.347,1012 3.462,1015 2.127,1016 2.12,1017 16.786,1018 286.971,1019 26.5,1031 31.774,1032 35.905,1034 0.288,1035 0.674,1036 0.836,1037 0.898,1038 0.911,1039 0.911,1040 4.551,1041 0.382,1042 5.46,1043 1.643,1044 4.043,1045 4.749,1046 0.908,1047 6.34,1048 3.962,1049 5.822,1050 0.157,1051 7.067,1052 0.66,1053 3.761,1054 4.808,1056 7.365,1057 3.647,1058 7.181,1059 -0.491,1060 8.773,1061 0.337,1062 5.707,1063 7.183,1064 0.739,1065 10.503,1066 5.564,1067 8.582,1068 -0.831,1069 10.535,1070 -1.123,1071 6.236,1072 8.072,1074 12.347,1075 6.065,1076 10.015,1077 -1,1078 12.331,1079 -2.517,1080 7.682,1081 9.942,1082 0.593,1083 15.025,1084 7.491,1085 11.471,1086 -1.317,1087 14.153,1088 -2.652,1089 8.574,1090 11.214,1092 17.216,1093 8.36,1094 12.946,1095 -1.4,1096 15.993,1097 -3.6,1098 9.84,1099 12.895,1100 0.469,1101 19.739,1102 9.608,1103 3.288,1104 -1.592,1105 17.847,1106 -3.982,1107 10.894,1108 14.341,1110 22.076,1111 10.642,1112 2.732,1113 11.533,1114 19.713,1115 -4.411,1116 12.097,1117 15.953,1118 0.366,1119 24.544,1120 11.827,1121 2.306,1122 8.843,1123 21.589,1124 4.868,1125 13.223,1126 17.475,1128 26.942,1129 12.933,1130 1.912,1131 6.751,1132 23.473,1133 3.84,1134 14.407,1135 19.062,1136 0.283,1137 29.392,1138 14.098,1139 1.764,1140 6.025,1141 25.364,1142 3.089,1143 15.564,1144 20.617,1146 31.815,1147 15.235,1148 1.204,1149 5.198,1150 27.261,1151 2.804,1152 16.744,1153 22.198,1154 0.217,1155 34.26,1156 16.395,1157 0.719,1158 3.202,1159 29.162,1160 2.494,1161 17.916,1162 23.767,1164 36.695,1165 17.546,1166 2139,1167 3248,1168 12.542,1169 21.415,1170 28.829,1171 29.532,1172 30.597,1173 28.895,1174 28.928,1175 40.879,1176 1.72,1177 88.384,1178 27.652,1179 5.324,1180 5.329,1181 6.438,1182 5.301,1183 5.288,1184 7.868,1185 1.72,1186 19.025,1187 5.212,1188 8.228,1189 1.517,1190 1.554,1191 1.61,1192 1.521,1193 1.523,1194 2.152,1195 0.091,1196 4.652,1197 1.455,1198 4.229,1199 4.261,1200 4.199,1201 4.141,1202 5.063,1203 4.151,1204 3.771,1205 3.817,1206 3.706,1207 3.64,1208 4.721,1209 3.65,1210 3.384,1211 3.443,1212 3.276,1213 3.145,1214 4.425,1215 3.165,1216 3.192,1217 3.271,1218 3.037,1219 3.056,1220 3.983,1221 3.043,1222 3.134,1223 3.218,1224 2.922,1225 2.908,1226 3.937,1227 2.898,1228 2.963,1229 3.07,1230 2.72,1231 2.738,1232 3.696,1233 2.72,1234 2.798,1235 2.876,1236 2.588,1237 2.654,1238 3.542,1239 2.626,1240 2.386,1241 2.468,1242 2.2,1243 2.223,1244 3.096,1245 2.209,1246 0.251,1247 0.175,1248 0.363,1249 0.224,1250 0.173,1251 4.769,1252 0.256,1253 3.329,1254 0.045,1255 6.891,1256 0.607,1257 4.264,1258 0.169,1259 3.288,1260 4.868,1261 0.86,1262 11.533,1263 3.212,1264 1.994,1265 1.973,1266 2.074,1267 2.108,1268 1.249,1269 2.098,1270 1.881,1271 1.843,1272 1.982,1273 2.018,1274 1.097,1275 2.011,1276 1.271,1277 1.205,1278 1.584,1279 1.569,1280 0.635,1281 1.568,1282 1.255,1283 1.183,1284 1.562,1285 1.492,1286 0.616,1287 1.515,1288 1.17,1289 1.082,1290 1.529,1291 1.409,1292 0.575,1293 1.46,1294 0.965,1295 0.868,1296 1.249,1297 1.227,1298 0.301,1299 1.252,1300 0.819,1301 0.748,1302 1.102,1303 1.004,1304 0.182,1305 1.044,1306 0.614,1307 0.549,1308 0.863,1309 0.793,1310 0.001,1311 0.82,1312 3.664,1314 5.017,1315 2.398,1316 6.583,1317 4.844,1318 8.245,1319 7.066,1320 9.955,1322 5.872,1330 5.275,1340 20.182,1341 46.094,1342 107.861,1343 133.735,1344 143.735,1345 145.735,1346 145.735,1347 15.669,1348 6.642,1349 28.9,1350 28.9,1351 17,1352 12.368,1353 4,1354 3.087,1355 23.608,1356 42,1357 42,1358 0.311,1359 124.367,1360 197.25,1361 295.216,1362 5431,1364 11.991,1365 0.705,1366 0.606,1367 11.991,1368 10.295,1369 8.203,1370 0.432,1371 0.303,1372 5.668,1373 7.875,1374 5.418,1375 4.561,1376 8.203,1377 5.761,1378 7.488,1379 0.267,1380 0.16,1381 7.488,1382 4.467,1383 6.937,1384 0.173,1385 0.088,1386 6.937,1387 3.512,1388 5.562,1389 0.103,1390 0.043,1391 5.562,1392 2.318,1393 4.734,1394 0.066,1395 0.023,1396 4.734,1397 1.653,1398 0.455,1399 51.399,1400 0.282,1401 16.528,1402 0.956,1403 94,1404 228.401,1405 101.014,1406 223.525,1407 320.13,1408 212,1409 115,1410 249.052,1411 122.681,1412 256.289,1413 376.02,1414 240,1415 6.097}
{0 CHEMBL374740,1 1.953,2 4.692,3 1.999,4 3.997,5 48.304,6 13.501,7 0.429,8 2.969,9 3.009,10 3.004,11 2.683,12 4.348,13 2.698,14 3.425,15 3.463,16 3.477,17 3.08,18 4.929,19 3.087,20 3.633,21 3.685,22 3.577,23 3.087,24 5.387,25 3.081,26 3.397,27 3.47,28 3.557,29 2.863,30 5.006,31 2.816,32 2.985,33 3.037,34 3.17,35 2.097,36 5.089,37 2.175,38 1.852,39 1.903,40 1.687,41 0.867,42 3.869,43 0.894,56 0.152,57 0.196,58 0.942,59 0.846,60 19.253,61 0.643,62 0.264,63 0.3,64 1.939,65 1.458,66 33.804,67 1.2,68 0.47,69 0.33,70 8.211,71 2.481,72 71.384,73 1.851,74 0.384,75 0.255,76 8.778,77 2.205,78 51.993,79 1.644,80 0.355,81 0.134,82 6.19,83 1.783,84 50.044,85 1.342,86 0.141,87 0.033,88 2.714,89 0.661,90 23.143,91 0.299,104 17,105 21,106 0.438,107 0.757,108 0.841,109 0.897,110 0.897,111 0.897,112 2.673,113 0.899,114 -3.36,115 -3.34,116 -3.2,121 50,144 2,145 1,146 3,159 1,160 1,176 1,180 1,183 1,185 1,187 4,191 1,192 2,195 1,197 3,200 3,206 1,214 2,219 5,224 1,232 1,281 111,282 8.293,283 8.293,284 8.293,285 8.293,286 8.293,287 7.28,288 9.541,289 4.629,290 8.543,291 6.863,292 6.863,293 6.863,294 6.863,295 6.863,296 5.196,297 10.762,298 2.182,299 7.331,300 2.047,301 0.625,302 0.25,306 3.295,308 2,312 1,313 125,314 1.732,317 22.065,318 27.181,321 41.667,325 0.686,326 22.603,329 1,330 0.83,331 1,332 0.4,334 1,335 1,336 0.75,337 29.167,338 61,339 4.569,340 3.899,341 6.785,342 4.214,343 3.229,344 4.224,345 1.058,346 11.077,347 3.186,348 3.87,349 3.201,350 5.784,351 3.434,352 2.479,353 3.262,355 7.541,356 2.311,357 3.434,358 2.881,359 5.073,360 2.965,361 2.087,362 2.735,364 5.999,365 1.78,366 3.141,367 2.708,368 4.91,369 2.698,370 1.711,371 2.312,373 5.144,374 1.615,375 2.566,376 2.061,377 4.074,378 2.08,379 1.134,380 1.443,382 3.087,383 0.998,384 1.617,385 1.139,386 2.772,387 1.103,388 0.133,389 0.187,391 0.317,392 0.111,393 0.916,394 0.271,395 2.578,396 0.412,397 -0.472,398 -0.594,400 -1.188,401 -0.289,402 0.708,403 0.208,404 2.343,405 0.241,406 -0.669,407 -0.895,409 -1.691,410 -0.543,411 0.364,412 -0.157,413 1.757,414 -0.134,415 -1,416 -1.244,418 -2.557,419 -0.879,420 -0.055,421 -1.031,422 1.466,423 -0.458,424 -1.41,425 -1.91,427 -4.067,428 -1.183,429 -0.23,430 -1.121,431 1.266,432 -0.764,433 -1.516,434 -2,436 -4.197,437 -1.506,438 -0.5,439 -1.526,440 1.124,441 -0.808,442 -1.79,443 -2.228,445 -5.777,446 -1.747,447 -0.579,448 -1.813,449 1.067,450 -0.983,451 -1.917,452 -2.292,454 -6.435,455 -1.854,456 -0.821,457 -2,458 1,459 -1,460 -2,461 -3,462 -1.058,463 -7.254,464 -2,474 6.495,475 0.5,476 0.494,477 0.038,478 18,479 1.385,480 9.5,481 0.731,482 8.5,483 0.654,484 7.516,485 0.578,486 13.305,487 0.832,488 10.619,489 0.817,490 3.581,491 0.275,492 2.511,493 0.193,494 0.323,496 0.462,501 0.666,502 0.969,503 0.468,504 0.537,505 0.581,506 0.527,507 0.663,508 1.144,509 0.568,510 0.72,511 0.634,512 0.757,513 0.991,514 1.061,515 1.2,516 1.159,517 0.937,518 1.237,519 1.298,520 1.011,521 1.107,522 0.884,523 1.208,524 1.04,525 1.11,526 0.877,527 1.356,528 1.695,529 1.397,530 1.213,531 2.492,532 0.067,533 2.582,534 1.709,535 2.965,536 1.699,549 3.5,551 2,552 1.639,553 0.964,554 0.278,559 875,560 5016,561 1.948,562 18.8,564 2,567 1,572 1.493,573 1.733,574 2.33,575 -0.053,582 31.245,583 1.953,584 3.375,585 3.75,586 4,587 4,588 4,589 1.738,590 3.393,591 3.677,592 2.32,593 180.978,594 6.128,595 1335.98,597 1,600 64,601 1.526,602 3.574,603 0.25,605 0.095,606 0.082,607 0.069,608 0.035,613 0.531,614 1,615 1,616 0.808,617 45.459,618 -0.084,619 0.059,620 -0.017,621 0.082,622 -0.049,623 0.086,624 0.004,625 -0.167,626 -0.004,627 -0.035,628 -0.003,629 -0.076,630 -0.057,631 -0.132,632 -0.28,633 -0.236,635 -0.32,636 -0.309,637 -0.106,638 0.091,639 0.197,640 -0.274,641 0.083,642 0.343,643 -0.037,644 0.142,645 -0.379,646 0.169,647 0.097,648 -0.566,649 0.734,650 -0.771,651 -0.033,652 -0.698,653 -0.172,666 2.334,667 4.172,668 0.692,669 5.124,670 1.073,671 1.102,672 2.13,673 4.539,674 0.822,675 2.708,676 3.091,677 3.367,678 3.638,679 3.784,680 3.689,681 3.497,682 3.367,683 2.565,684 1.099,685 3.076,686 0.822,687 216.02,688 2.708,689 4.263,690 5.13,691 6.038,692 6.929,693 7.837,694 8.734,695 9.642,696 10.541,697 11.448,698 6.3,705 1,715 2,720 4,722 6,727 1,740 2,741 16,743 8,744 1,745 14,747 17,748 8,749 6,750 4,751 2,752 2,756 2,757 3,758 2,772 8,777 2,782 2,786 2,793 3,794 3,795 1,796 5,797 2,802 1,808 0.5,809 2,828 1,829 1,832 1,843 1,859 1,865 2,868 13,877 1,892 2,893 12.5,896 2,901 7.5,902 3.036,903 2.778,904 0.863,907 1.53,908 1.273,909 0.992,910 1.875,911 7.128,912 2.996,913 3.624,914 4.193,915 4.715,916 5.214,917 5.32,918 5.393,919 5.437,920 4.815,921 3.841,922 1,923 20,924 4.772,925 -0.003,926 2.149,927 0.026,929 8.479,931 8.437,932 -0.001,933 6.92,934 0.001,936 2.979,937 38.722,938 0.002,941 23.542,942 41.734,943 18.011,944 78.297,945 50.29,948 41.734,949 152.129,950 18.011,952 18.011,953 18.952,954 60.128,955 12.944,957 23.542,958 78.297,959 23.542,960 59.745,961 50.29,962 78.297,964 23.542,965 50.29,968 18.011,969 41.734,970 78.297,972 23.542,973 68.301,974 120.031,977 23.542,978 22.782,979 18.952,980 18.011,981 128.587,982 23.542,983 68.301,984 120.031,986 0.607,987 0.364,988 0.195,989 0.106,990 12,991 6,994 1,995 1.222,996 2.382,997 83.02,998 0.222,999 9,1000 48.106,1005 8.691,1006 2.805,1007 1.253,1009 68.301,1010 2.893,1015 1.207,1017 18.011,1018 211.874,1019 19,1024 22.104,1028 -1.265,1031 17.171,1032 17.636,1034 0.488,1035 0.844,1036 0.938,1037 1,1038 1,1039 1,1040 4.256,1041 -0.669,1042 5.176,1043 -1.188,1044 3.761,1045 4.304,1046 1.176,1047 6.052,1048 3.653,1049 5.51,1050 -1,1051 6.79,1052 -1.691,1053 3.611,1054 4.369,1056 7.06,1057 3.43,1058 6.856,1059 -1.41,1060 8.5,1061 -2.557,1062 5.425,1063 6.533,1064 1.255,1065 10.189,1066 5.274,1067 8.234,1068 -1.516,1069 10.26,1070 -4.067,1071 6.019,1072 7.325,1074 12,1075 5.841,1076 9.64,1077 -1.79,1078 12.053,1079 -4.197,1080 7.405,1081 9.057,1082 1.338,1083 14.675,1084 7.242,1085 11.066,1086 -1.917,1087 13.869,1088 -5.777,1089 8.33,1090 10.182,1092 16.834,1093 8.159,1094 12.51,1095 -2,1096 15.703,1097 -6.435,1098 9.567,1099 11.748,1100 1.422,1101 19.342,1102 9.4,1103 3.229,1105 17.552,1106 -7.254,1107 10.634,1108 13.032,1110 21.647,1111 10.462,1112 2.479,1113 11.077,1114 19.412,1116 11.821,1117 14.529,1118 1.51,1119 24.092,1120 11.646,1121 2.087,1122 7.541,1123 21.282,1124 4.224,1125 12.947,1126 15.89,1128 26.457,1129 12.766,1130 1.711,1131 5.999,1132 23.16,1133 3.262,1134 14.12,1135 17.356,1136 1.599,1137 28.877,1138 13.932,1139 1.134,1140 5.144,1141 25.044,1142 2.735,1143 15.272,1144 18.756,1146 31.265,1147 15.075,1148 0.133,1149 3.087,1150 26.934,1151 2.312,1152 16.441,1153 20.208,1154 1.69,1155 33.676,1156 16.235,1157 -0.472,1158 0.317,1159 28.827,1160 1.443,1161 17.604,1162 21.628,1164 36.074,1165 17.387,1166 963,1167 2346,1168 8.671,1169 13.153,1170 22.109,1171 24.306,1172 23.253,1173 21.845,1174 21.548,1175 28.328,1176 2.117,1177 66.33,1178 20.001,1179 5.39,1180 5.899,1181 5.785,1182 5.214,1183 5.229,1184 7.224,1185 2.117,1186 18.331,1187 5.186,1188 7.434,1189 1.579,1190 1.736,1191 1.661,1192 1.56,1193 1.539,1194 2.023,1195 0.151,1196 4.738,1197 1.429,1198 4.005,1199 4.016,1200 4.135,1201 3.929,1202 7.499,1203 3.933,1204 3.451,1205 3.452,1206 3.638,1207 3.276,1208 7.352,1209 3.305,1210 2.964,1211 2.985,1212 3.552,1213 2.868,1214 5.003,1215 2.849,1216 2.628,1217 2.609,1218 2.843,1219 2.457,1220 4.632,1221 2.478,1222 2.508,1223 2.54,1224 2.622,1225 2.12,1226 4.134,1227 2.193,1228 1.948,1229 1.984,1230 2.281,1231 1.559,1232 3.587,1233 1.562,1234 1.618,1235 1.664,1236 2.144,1237 1.461,1238 3.274,1239 1.353,1240 1.435,1241 1.503,1242 1.441,1243 1.093,1244 2.542,1245 1.082,1246 0.326,1247 0.278,1248 0.485,1249 0.301,1250 0.231,1251 4.569,1252 0.302,1253 3.899,1254 0.076,1255 6.785,1256 0.791,1257 4.214,1258 0.228,1259 3.229,1260 4.224,1261 1.058,1262 11.077,1263 3.186,1264 1.864,1265 1.856,1266 1.888,1267 1.92,1268 1.07,1269 1.926,1270 1.364,1271 1.364,1272 1.409,1273 1.648,1274 0.321,1275 1.574,1276 0.928,1277 0.899,1278 1.057,1279 1.128,1280 0.141,1281 1.113,1282 0.748,1283 0.728,1284 0.877,1285 0.887,1287 0.915,1290 0.246,1291 0.402,1293 0.317,1297 0.247,1299 0.225,1312 3.367,1314 4.727,1315 2.398,1316 6.279,1317 4.844,1318 7.92,1319 7.018,1320 9.612,1323 11.42,1329 2.364,1340 13.16,1341 31.245,1342 54,1343 60,1344 64,1345 64,1346 64,1347 23.954,1348 5.598,1349 49.93,1350 49.93,1351 11,1352 11.966,1353 3.17,1354 2.585,1355 18.968,1356 25,1357 19,1358 0.441,1359 89.538,1360 157.14,1361 210.233,1362 1313,1363 12.5,1364 9.585,1365 0.737,1366 0.595,1367 10.585,1368 7.739,1369 6.092,1370 0.435,1371 0.3,1372 3.456,1373 5.304,1374 3.338,1375 2.707,1376 6.67,1377 4.197,1378 5.954,1379 0.284,1380 0.164,1381 6.733,1382 3.437,1383 4.946,1384 0.177,1385 0.081,1386 5.514,1387 2.261,1388 4.045,1389 0.109,1390 0.046,1391 4.818,1392 1.713,1393 3.127,1394 0.073,1395 0.023,1396 3.692,1397 0.991,1398 0.616,1399 44.467,1400 0.34,1401 12.519,1402 1.451,1403 70,1404 282.211,1405 107.411,1406 328.361,1407 411.98,1408 300,1409 84,1410 243.252,1411 112.61,1412 264.444,1413 390.66,1414 248,1415 4}
{0 CHEMBL374758,1 1.707,2 8,3 3.064,4 9.391,5 80.306,6 10.683,7 0.545,8 3.559,9 3.652,10 3.437,11 3.211,12 4.757,13 3.192,14 4.047,15 4.172,16 3.87,17 3.599,18 5.25,19 3.562,20 4.287,21 4.447,22 4.064,23 3.682,24 5.639,25 3.626,26 4.261,27 4.434,28 3.795,29 3.562,30 5.5,31 3.469,32 4.163,33 4.354,34 3.521,35 3.34,36 5.444,37 3.262,38 3.917,39 4.115,40 3.54,41 3.272,42 5.094,43 3.194,44 3.794,45 3.933,46 3.902,47 3.328,48 5.154,49 3.251,50 3.702,51 3.831,52 3.651,53 3.159,54 5.1,55 3.052,56 0.051,57 0.414,58 2.171,59 2.44,60 5.564,61 2.682,62 0.173,63 0.693,64 5.147,65 4.149,66 10.085,67 4.552,68 0.333,69 0.828,70 16.555,71 6.178,72 46.947,73 6.836,74 0.303,75 0.801,76 23.587,77 6.545,78 34.918,79 6.636,80 0.406,81 0.703,82 26.341,83 5.975,84 52.64,85 5.745,86 0.232,87 0.556,88 11.412,89 4.514,90 34.338,91 4.865,92 0.172,93 0.455,94 10.578,95 4.291,96 20.121,97 4.363,98 0.183,99 0.395,100 12.603,101 4.123,102 24.796,103 3.924,104 10,105 31,106 0.319,107 0.6,108 0.708,109 0.84,110 0.901,111 0.913,112 3.058,113 0.943,114 -4.45,115 -4.38,116 -4.13,119 1,121 48.4,128 1,144 8,145 1,146 3,159 1,160 1,176 7,179 1,180 3,183 1,185 1,187 7,191 2,192 4,197 3,200 5,206 6,209 1,211 3,214 1,219 6,222 1,224 2,232 2,237 1,239 2,244 4,251 8,256 4,264 9,269 1,277 5,281 472,282 13.535,283 13.535,284 13.535,285 13.535,286 13.535,287 11.845,288 14.249,289 7.93,290 13.783,291 10.807,292 10.807,293 10.807,294 10.807,295 10.807,296 8.223,297 19.512,298 3.709,299 11.255,300 3.247,301 1.742,302 1.161,303 0.452,304 0.129,305 0.065,306 3.736,310 1,311 1,312 1,313 345,314 2.345,317 39.202,318 109.586,321 74.586,325 1,326 22.369,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 42.75,338 160,339 4.584,340 3.979,341 6.968,342 4.29,343 3.303,344 4.128,345 1.219,346 11.718,347 3.264,348 4.159,349 3.142,350 6.023,351 3.71,352 2.791,353 3.773,354 0.557,355 8.554,356 2.528,357 3.606,358 2.977,359 5.628,360 3.174,361 2.175,362 2.966,363 0.21,364 7.02,365 2.183,366 3.356,367 2.769,368 5.537,369 3.085,370 2.092,371 2.491,373 6.6,374 2.041,375 2.923,376 2.087,377 4.227,378 2.505,379 1.552,380 2.092,382 3.938,383 1.482,384 2.848,385 1.8,386 3.771,387 2.361,388 1.414,389 1.982,391 2.998,392 1.36,393 2.841,394 1.524,395 3.64,396 2.333,397 1.354,398 1.97,400 2.958,401 1.189,402 2.455,403 1.325,404 3.599,405 2.013,406 1.029,407 1.397,409 2.561,410 1.01,411 2.147,412 1.183,413 3.271,414 1.678,415 0.664,416 0.883,418 1.537,419 0.658,420 1.537,421 0.682,422 2.791,423 1.113,424 0.112,425 0.153,427 0.256,428 0.099,429 1.024,430 0.294,431 2.373,432 0.59,433 -0.287,434 -0.363,436 -0.632,437 -0.196,438 0.779,439 -0.018,440 2.166,441 0.321,442 -0.64,443 -0.835,445 -1.552,446 -0.578,447 0.621,448 -0.472,449 2,450 0.149,451 -0.827,452 -1.124,454 -1.97,455 -0.795,456 0.531,457 -0.826,458 2,459 0.064,460 -0.933,461 -1.339,463 -2.255,464 -0.928,465 0.172,466 -0.863,467 1.633,468 -0.236,469 -1.315,470 -1.741,472 -3.428,473 -1.097,474 10.3,475 0.515,476 0.49,477 0.025,478 28.75,479 1.438,480 16,481 0.8,482 12.75,483 0.638,484 13.459,485 0.673,486 19.7,487 0.635,488 18.189,489 0.909,490 5.664,491 0.283,492 4.018,493 0.201,494 0.194,496 0.33,501 0.636,502 1.153,503 0.463,504 0.722,505 0.519,506 0.744,507 0.676,508 1.014,509 0.569,510 0.758,511 0.602,512 0.838,513 0.726,514 1.162,515 0.859,516 0.988,517 0.673,518 0.952,519 1.169,520 1.273,521 1.237,522 1.244,523 1.064,524 1.234,525 1.554,526 1,527 1.166,528 1.112,529 1.624,530 1.101,531 1.21,532 0.673,533 0.642,534 0.583,535 1.218,536 0.683,537 0.91,538 0.704,539 1.205,540 0.907,541 0.98,542 0.763,543 1.171,544 0.969,545 1.486,546 1.309,547 1.373,548 1.209,549 3,551 2.889,552 2.236,553 0.724,554 0.514,555 0.417,556 0.289,557 0.105,558 0.054,559 3685,560 12381,561 2.077,562 35.5,564 8,565 2,567 1,572 1.619,573 1.935,574 2.981,575 -0.271,577 1,579 1,582 52.923,583 1.707,584 3.212,585 3.793,586 4.503,587 4.825,588 4.89,589 2.333,590 4.022,591 4.298,592 3.099,593 588.773,594 7.346,595 5994.2,596 1,597 1,598 1,599 1,600 153.58,601 1.441,602 4.248,603 0.136,605 0.093,606 0.07,607 0.03,608 0.027,609 0.022,610 0.014,611 0.007,612 0.009,613 0.408,614 0.5,615 1,616 0.627,617 87.701,618 -0.056,619 -0.104,620 -0.001,621 -0.005,622 -0.051,623 0.016,624 0.041,625 0.065,626 0.002,627 0.008,628 -0.028,629 -0.037,630 0.211,631 -0.153,632 0.016,633 -0.074,634 0.212,635 -0.029,636 -0.121,637 -0.274,638 -0.148,639 -0.255,640 -0.057,641 -0.28,642 -0.211,643 -0.011,644 -0.147,645 -0.113,646 -0.202,647 -0.119,648 -0.176,649 0.301,650 0.076,651 0.34,652 -0.134,653 0.318,654 0.062,655 0.191,656 0.123,657 0.183,658 0.062,659 0.231,660 -0.048,661 -0.131,662 -0.037,663 -0.175,664 -0.08,665 -0.21,666 2.161,667 4.993,668 0.75,669 12.74,670 1.016,671 1.108,672 3.225,673 10.397,674 0.745,675 3.135,676 3.466,677 3.784,678 4.025,679 4.19,680 4.143,681 4.22,682 4.29,683 4.22,684 4.174,685 4.895,686 0.714,687 331.18,688 3.135,689 4.673,690 5.541,691 6.425,692 7.311,693 8.203,694 9.096,695 9.992,696 10.889,697 11.789,698 6.5,703 1,705 1,715 8,720 4,722 12,727 1,734 1,740 1,741 31,743 14,744 2,745 22,746 1,747 33,748 15,749 12,750 4,751 8,752 2,756 3,757 4,772 14,773 1,777 2,782 2,786 2,789 1,790 1,793 11,794 4,795 1,796 5,797 1,802 2,808 0.667,809 2,828 1,829 2,832 1,844 1,859 2,863 1,868 20,876 1,877 1,881 1,892 1,893 6.5,896 2,901 10.333,902 5.593,903 4.417,904 1.757,907 2.375,908 1.356,909 1.016,910 3.49,911 9.053,912 3.434,913 4.007,914 4.59,915 5.074,916 5.532,917 5.53,918 5.769,919 6.005,920 6.115,921 6.341,922 1,923 32,924 7.4,926 3.216,927 0.026,929 7.938,931 13.819,933 11.323,936 2.438,937 48.75,941 117.711,942 99.079,943 67.089,945 50.29,948 145.033,949 168.001,950 21.135,952 4.801,953 75.81,954 78.139,955 11.754,956 23.542,957 94.169,958 45.954,959 117.711,960 120.214,961 50.29,963 45.954,964 117.711,965 50.29,968 4.801,969 97.402,970 18.011,971 45.954,972 117.711,973 71.425,974 145.033,977 117.711,978 23.269,979 78.934,980 63.965,981 50.29,982 117.711,983 71.425,984 145.033,986 0.584,987 0.361,988 0.193,989 0.099,990 16,991 7,992 0.091,993 3,994 1,995 1.133,996 3.224,997 152.233,998 0.133,999 15,1000 84.439,1005 13.191,1006 5.291,1007 2.348,1009 71.425,1010 14.65,1015 2.9,1017 18.011,1018 334.169,1019 30,1024 23.85,1028 -0.944,1031 31.505,1032 34.333,1034 0.345,1035 0.648,1036 0.766,1037 0.909,1038 0.974,1039 0.987,1040 4.663,1041 1.029,1042 5.533,1043 2.958,1044 4.143,1045 4.691,1046 1.509,1047 6.382,1048 4.072,1049 5.868,1050 0.664,1051 7.122,1052 2.561,1053 3.761,1054 4.443,1055 0.325,1056 7.383,1057 3.628,1058 7.176,1059 0.112,1060 8.819,1061 1.537,1062 5.765,1063 6.843,1064 1.598,1065 10.532,1066 5.638,1067 8.524,1068 -0.287,1069 10.579,1070 0.256,1071 6.256,1072 7.429,1073 0.705,1074 12.404,1075 6.088,1076 9.908,1077 -0.64,1078 12.38,1079 -0.632,1080 7.731,1081 9.296,1082 1.817,1083 15.08,1084 7.561,1085 11.319,1086 -0.827,1087 14.208,1088 -1.552,1089 8.616,1090 10.275,1091 1.105,1092 17.304,1093 8.424,1094 12.751,1095 -0.933,1096 16.056,1097 -1.97,1098 9.895,1099 11.912,1100 2.087,1101 19.831,1102 9.698,1103 3.303,1104 -1.315,1105 17.919,1106 -2.255,1107 10.951,1108 13.087,1109 1.518,1110 22.198,1111 10.745,1112 2.791,1113 11.718,1114 19.794,1115 -3.428,1116 12.162,1117 14.611,1118 2.385,1119 24.677,1120 11.951,1121 2.175,1122 8.554,1123 21.679,1124 4.128,1125 13.291,1126 15.889,1127 1.94,1128 27.1,1129 13.075,1130 2.092,1131 7.02,1132 23.572,1133 3.773,1134 14.48,1135 17.356,1136 2.702,1137 29.565,1138 14.26,1139 1.552,1140 6.6,1141 25.472,1142 2.966,1143 15.641,1144 18.69,1145 2.365,1146 32.01,1147 15.417,1148 1.414,1149 3.938,1150 27.378,1151 2.491,1152 16.825,1153 20.126,1154 3.035,1155 34.471,1156 16.597,1157 1.354,1158 2.998,1159 29.289,1160 2.092,1161 18.001,1162 21.492,1163 2.791,1164 36.925,1165 17.768,1166 3601,1167 6692,1168 14.622,1169 23.08,1170 33.64,1171 35.41,1172 34.603,1173 33.254,1174 32.976,1175 43.674,1176 3.971,1177 96.282,1178 31.625,1179 5.509,1180 5.979,1181 6.657,1182 5.344,1183 5.303,1184 7.128,1185 2.319,1186 18.902,1187 5.264,1188 9.078,1189 1.529,1190 1.61,1191 1.573,1192 1.512,1193 1.499,1194 1.985,1195 0.18,1196 4.376,1197 1.438,1198 4.024,1199 4.048,1200 6.88,1201 3.927,1202 7.497,1203 3.935,1204 3.889,1205 3.915,1206 3.985,1207 3.848,1208 7.352,1209 3.831,1210 3.482,1211 3.526,1212 3.734,1213 3.294,1214 4.784,1215 3.32,1216 3.246,1217 3.292,1218 3.41,1219 3.02,1220 4.702,1221 3.038,1222 2.898,1223 2.954,1224 3.139,1225 2.88,1226 4.136,1227 2.799,1228 2.87,1229 2.915,1230 2.787,1231 2.754,1232 3.782,1233 2.747,1234 2.703,1235 2.769,1236 2.587,1237 2.57,1238 3.719,1239 2.545,1240 2.605,1241 2.613,1242 2.544,1243 2.417,1244 3.614,1245 2.442,1246 0.208,1247 0.181,1248 0.317,1249 0.195,1250 0.15,1251 4.584,1252 0.188,1253 3.979,1254 0.055,1255 6.968,1256 0.533,1257 4.29,1258 0.148,1259 3.303,1260 4.128,1261 1.219,1262 11.718,1263 3.264,1264 1.895,1265 1.869,1266 1.99,1267 1.993,1268 1.112,1269 1.998,1270 1.869,1271 1.847,1272 1.961,1273 1.943,1274 1.067,1275 1.955,1276 1.461,1277 1.432,1278 1.613,1279 1.723,1280 0.777,1281 1.685,1282 1.17,1283 1.124,1284 1.309,1285 1.42,1286 0.301,1287 1.389,1288 0.886,1289 0.838,1290 1.127,1291 1.081,1292 0.198,1293 1.088,1294 0.871,1295 0.829,1296 1.074,1297 1.002,1298 0.166,1299 1.043,1300 0.783,1301 0.726,1302 0.992,1303 0.976,1304 0.111,1305 1.007,1306 0.622,1307 0.564,1308 0.86,1309 0.818,1311 0.852,1312 3.807,1314 5.13,1315 2.398,1316 6.663,1317 4.949,1318 8.286,1319 7.195,1320 9.954,1321 3.432,1328 0.254,1329 3.153,1333 1.455,1340 22.132,1341 52.923,1342 99.58,1343 117.58,1344 139.58,1345 149.58,1346 151.58,1347 33.782,1348 6.678,1349 51.1,1350 51.1,1351 17,1352 12.312,1353 3.907,1354 3.17,1355 29.931,1356 58,1357 52,1358 0.256,1359 142.551,1360 246.92,1361 339.585,1362 6323,1363 3.2,1364 14.113,1365 0.706,1366 0.603,1367 15.113,1368 12.054,1369 9.682,1370 0.44,1371 0.314,1372 6.094,1373 8.862,1374 5.934,1375 4.892,1376 10.259,1377 6.912,1378 8.593,1379 0.277,1380 0.169,1381 9.335,1382 5.249,1383 7.765,1384 0.181,1385 0.09,1386 8.525,1387 3.872,1388 6.248,1389 0.114,1390 0.047,1391 6.785,1392 2.599,1393 4.879,1394 0.075,1395 0.025,1396 5.238,1397 1.623,1398 0.391,1399 68.607,1400 0.262,1401 19.688,1402 0.731,1403 106,1404 334.103,1405 180.713,1406 360.304,1407 476.48,1408 334,1409 127,1410 318.217,1411 172.004,1412 335.279,1413 495.58,1414 316,1415 4}
{0 CHEMBL374905,1 1.52,2 7.111,3 1.915,4 3.666,5 68.561,6 7.186,7 0.3,8 3.629,9 3.749,10 3.178,11 3.168,12 4.654,13 3.144,14 4.224,15 4.413,16 3.544,17 3.586,18 5.212,19 3.538,20 4.502,21 4.73,22 3.608,23 3.693,24 5.621,25 3.611,26 4.51,27 4.775,28 3.405,29 3.564,30 5.495,31 3.459,32 4.309,33 4.55,34 3.291,35 3.389,36 5.422,37 3.317,38 4.147,39 4.35,40 3.128,41 3.342,42 5.237,43 3.253,44 4.072,45 4.275,46 2.865,47 3.23,48 5.168,49 3.099,50 3.872,51 4.138,52 2.218,53 2.876,54 4.809,55 2.658,56 0.003,57 0.503,58 7.2,59 3.146,60 3.503,61 4.258,62 0.178,63 0.856,64 14.551,65 5.199,66 10.969,67 7.375,68 0.279,69 1.012,70 20.413,71 7.098,72 48.185,73 10.258,74 0.283,75 0.963,76 21.621,77 6.715,78 38.366,79 9.962,80 0.296,81 0.763,82 17.729,83 5.482,84 43.514,85 7.696,86 0.206,87 0.663,88 14.433,89 5.099,90 37.217,91 6.749,92 0.189,93 0.589,94 13.431,95 5.015,96 39.806,97 6.542,98 0.161,99 0.448,100 11.541,101 4.139,102 33.243,103 5.74,104 5,105 28,106 0.284,107 0.578,108 0.733,109 0.807,110 0.818,111 0.818,112 2.962,113 0.967,114 -3.14,115 -3.13,116 -3.01,121 41.2,123 3,127 2,128 1,144 4,145 1,146 1,159 1,160 1,176 6,179 2,180 5,187 5,191 2,192 5,200 2,205 1,206 9,218 1,219 6,232 3,239 4,244 3,251 6,256 1,264 4,277 1,281 356,282 12.328,283 12.328,284 12.328,285 12.328,286 12.328,287 11.442,288 14.729,289 7.348,290 12.486,291 9.863,292 9.863,293 9.863,294 9.863,295 9.863,296 8.399,297 18.978,298 3.49,299 10.099,300 3.568,301 1.993,302 1.162,303 0.765,304 0.706,305 0.706,306 3.64,311 1,312 1,313 278,314 2,317 33.194,318 91.695,321 63.493,325 0.914,326 20.143,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 39,338 128,339 4.586,340 3.981,341 6.972,342 4.294,343 3.309,344 4.129,345 1.225,346 11.743,347 3.266,348 3.624,349 3.036,350 5.701,351 3.461,352 2.529,353 2.969,354 0.842,355 7.563,356 2.353,357 3.552,358 2.846,359 5.541,360 3.164,361 2.144,362 2.62,363 0.308,364 6.63,365 2.18,366 3.237,367 2.666,368 5.241,369 3.002,370 2.022,371 2.324,373 6.314,374 1.966,375 2.842,376 1.848,377 3.778,378 2.426,379 1.445,380 1.97,382 3.128,383 1.413,384 2.512,385 1.497,386 3.641,387 2.36,388 1.354,389 1.507,391 2.955,392 1.359,393 2.383,394 1.32,395 3.546,396 1.984,397 1,398 1.264,400 2.299,401 0.983,402 2,403 1.077,404 3.247,405 1.923,406 0.92,407 1,409 2.136,410 0.918,411 1.865,412 1.053,413 3.083,414 1.388,415 0.326,416 0.448,418 0.785,419 0.339,420 0.942,421 0.068,422 2.528,423 0.674,424 -0.32,425 -0.385,427 -0.768,428 -0.318,429 0.67,430 -0.019,431 2.312,432 0.322,433 -0.686,434 -0.84,436 -1.621,437 -0.684,438 0.518,439 -0.727,440 2,441 0.1,442 -0.898,443 -1,445 -2.153,446 -0.896,447 0.171,448 -0.784,449 1.555,450 -0.049,451 -1,452 -1.206,454 -2.347,455 -0.946,457 -0.827,458 1.548,459 -0.16,460 -1.18,461 -1.435,463 -3.01,464 -1.163,465 -0.124,466 -1.079,467 1.439,468 -0.333,469 -1.38,470 -1.959,472 -3.746,473 -1.491,474 8.467,475 0.47,476 0.401,477 0.022,478 21.5,479 1.194,480 9.5,481 0.528,482 12,483 0.667,484 13.293,485 0.739,486 19.733,487 0.58,488 13.714,489 0.762,490 4.062,491 0.226,492 4.709,493 0.262,494 0.079,496 0.331,501 0.605,502 1.483,503 0.771,504 1.176,505 0.462,506 1.025,507 0.735,508 1.039,509 0.913,510 0.957,511 0.504,512 0.943,513 0.642,514 1.143,515 0.85,516 1.067,517 0.534,518 0.997,519 0.946,520 0.981,521 0.911,522 0.916,523 0.808,524 0.898,525 1.354,526 0.823,527 0.967,528 0.806,529 1.394,530 0.817,531 1.498,532 0.93,533 1.22,534 1.026,535 1.638,536 1.076,537 1.503,538 1.044,539 1.379,540 1.226,541 1.789,542 1.295,543 1.165,544 0.971,545 1.274,546 1.155,547 1.405,548 1.243,549 2.5,551 2,552 1.924,553 0.773,554 0.622,555 0.195,556 0.112,557 0.053,559 2679,560 6324,561 2.12,562 47.1,563 2,564 8,565 2,569 4,572 1.591,573 2,574 2.839,575 -0.763,577 1,578 1,579 1,582 51.671,583 1.52,584 3.094,585 3.925,586 4.323,587 4.382,588 4.382,589 2.177,590 3.308,591 4.143,592 2.915,593 446.068,594 7.051,595 4110.88,596 1,597 1,599 1,600 172.974,601 1.352,602 4.109,603 0.125,605 0.071,606 0.069,607 0.035,608 0.031,609 0.011,610 0.009,611 0.011,613 0.363,614 0.83,615 1,616 0.584,617 74.744,618 -0.002,619 -0.275,620 0.068,621 -0.089,622 0.009,623 -0.018,624 0.036,625 0.122,626 -0.002,627 0.025,628 0.03,629 0.011,630 0.212,631 -0.136,632 0.103,633 -0.095,634 0.24,635 -0.024,636 0.011,637 -0.024,638 0.086,639 0.005,640 0.049,641 0.053,642 -0.081,643 0.123,644 0.059,645 0.121,646 -0.07,647 0.117,648 -0.253,649 0.037,650 -0.239,651 -0.038,652 -0.239,653 -0.12,654 -0.266,655 -0.132,656 -0.406,657 -0.217,658 -0.293,659 -0.322,660 -0.16,661 -0.15,662 -0.286,663 -0.175,664 -0.214,665 -0.247,666 2.054,667 4.986,668 0.833,669 10.58,670 1.001,671 1.127,672 1.908,673 3.642,674 0.654,675 3.045,676 3.367,677 3.689,678 3.97,679 4.174,680 4.127,681 4.205,682 4.248,683 4.111,684 3.97,685 4.306,686 0.622,687 244.32,688 3.045,689 4.575,690 5.442,691 6.33,692 7.22,693 8.119,694 9.018,695 9.922,696 10.827,697 11.734,698 5.9,701 1,705 1,715 4,720 2,722 6,727 1,741 34,743 8,744 1,745 20,747 36,748 14,749 6,750 2,751 4,752 2,756 3,757 4,767 3,770 3,772 8,773 6,777 2,782 2,786 2,790 1,793 16,794 4,796 4,802 2,808 0.667,809 2,828 1,829 2,832 1,844 1,855 1,859 2,868 18,876 6,881 2,893 5.9,896 2,901 9,902 6.067,903 3.972,904 2.271,907 1.394,908 1.215,909 0.989,910 2.982,911 7.888,912 3.258,913 3.75,914 4.301,915 4.778,916 5.237,917 5.318,918 5.565,919 5.722,920 5.599,921 5.504,922 0.8,923 28,924 6.732,926 2.955,927 0.026,929 7.815,931 12.996,933 11.052,936 2.315,937 41.667,938 0.002,941 188.338,942 67.177,943 6.249,945 50.29,948 67.177,949 238.627,950 6.249,952 16.616,953 37.905,954 60.128,955 9.067,956 23.542,957 164.795,959 188.338,960 73.426,961 50.29,964 141.253,965 97.374,968 19.741,969 53.685,972 188.338,973 56.538,974 67.177,977 188.338,978 29.272,979 44.154,981 50.29,982 188.338,983 56.538,984 67.177,986 0.579,987 0.353,988 0.199,989 0.11,990 15,991 6,992 0.056,993 2,994 1,995 1.133,996 3.046,997 133.499,998 0.133,999 15,1000 71.059,1005 11.576,1006 4.637,1007 2.016,1009 56.538,1010 7.246,1015 1.303,1018 312.053,1019 25,1024 23.825,1028 -0.76,1031 34.043,1032 38.322,1034 0.299,1035 0.608,1036 0.772,1037 0.85,1038 0.861,1039 0.861,1040 4.505,1041 0.92,1042 5.425,1043 2.299,1044 4.043,1045 4.431,1046 1.641,1047 6.271,1048 4.002,1049 5.667,1050 0.326,1051 7.004,1052 2.136,1053 3.611,1054 4.159,1055 0.57,1056 7.252,1057 3.55,1058 6.96,1059 -0.32,1060 8.693,1061 0.785,1062 5.652,1063 6.48,1064 1.696,1065 10.429,1066 5.564,1067 8.292,1068 -0.686,1069 10.449,1070 -0.768,1071 6.111,1072 7.102,1073 0.889,1074 12.308,1075 6.017,1076 9.667,1077 -0.898,1078 12.248,1079 -1.621,1080 7.613,1081 8.903,1082 1.889,1083 15.007,1084 7.493,1085 11.074,1086 -1,1087 14.078,1088 -2.153,1089 8.489,1090 9.941,1091 1.233,1092 17.248,1093 8.368,1094 12.506,1095 -1.18,1096 15.929,1097 -2.347,1098 9.786,1099 11.535,1100 2.144,1101 19.792,1102 9.645,1103 3.309,1104 -1.38,1105 17.798,1106 -3.01,1107 10.847,1108 12.769,1109 1.618,1110 22.173,1111 10.705,1112 2.529,1113 11.743,1114 19.68,1115 -3.746,1116 12.072,1117 14.274,1118 2.438,1119 24.665,1120 11.915,1121 2.144,1122 7.563,1123 21.572,1124 4.129,1125 13.212,1126 15.601,1127 2.03,1128 27.098,1129 13.05,1130 2.022,1131 6.63,1132 23.474,1133 2.969,1134 14.413,1135 17.063,1136 2.758,1137 29.571,1138 14.239,1139 1.445,1140 6.314,1141 25.384,1142 2.62,1143 15.585,1144 18.435,1145 2.456,1146 32.024,1147 15.403,1148 1.354,1149 3.128,1150 27.299,1151 2.324,1152 16.78,1153 19.875,1154 3.098,1155 34.49,1156 16.587,1157 1,1158 2.955,1159 29.219,1160 1.97,1161 17.966,1162 21.27,1163 2.887,1164 36.95,1165 17.762,1166 2619,1167 4145,1168 13.523,1169 22.25,1170 30.7,1171 32.168,1172 31.1,1173 30.183,1174 30.098,1175 36.464,1176 4.75,1177 87.103,1178 29.551,1179 5.586,1180 5.981,1181 6.774,1182 5.33,1183 5.309,1184 7.129,1185 2.326,1186 18.957,1187 5.266,1188 6.68,1189 1.535,1190 1.608,1191 1.555,1192 1.509,1193 1.505,1194 1.823,1195 0.238,1196 4.355,1197 1.478,1198 4.025,1199 4.053,1200 3.988,1201 3.921,1202 7.497,1203 3.931,1204 3.822,1205 3.886,1206 3.689,1207 3.675,1208 7.352,1209 3.668,1210 3.464,1211 3.499,1212 3.396,1213 3.28,1214 4.715,1215 3.307,1216 3.204,1217 3.262,1218 3.072,1219 2.983,1220 4.324,1221 2.994,1222 3.111,1223 3.206,1224 2.866,1225 2.941,1226 3.895,1227 2.91,1228 2.894,1229 2.963,1230 2.757,1231 2.732,1232 3.616,1233 2.725,1234 2.65,1235 2.751,1236 2.545,1237 2.422,1238 3.517,1239 2.443,1240 2.605,1241 2.613,1242 2.432,1243 2.406,1244 3.474,1245 2.392,1246 0.229,1247 0.199,1248 0.349,1249 0.215,1250 0.165,1251 4.586,1252 0.206,1253 3.981,1254 0.061,1255 6.972,1256 0.587,1257 4.294,1258 0.163,1259 3.309,1260 4.129,1261 1.225,1262 11.743,1263 3.266,1264 1.885,1265 1.86,1266 2.054,1267 2.029,1268 1.406,1269 2.04,1270 1.817,1271 1.754,1272 1.979,1273 1.948,1274 1.093,1275 1.96,1276 1.437,1277 1.413,1278 1.591,1279 1.696,1280 0.834,1281 1.656,1282 1.155,1283 1.102,1284 1.513,1285 1.4,1286 0.825,1287 1.429,1288 1.153,1289 1.064,1290 1.329,1291 1.376,1292 0.469,1293 1.385,1294 0.889,1295 0.82,1296 1.178,1297 1.126,1298 0.284,1299 1.142,1300 0.781,1301 0.722,1302 1.07,1303 0.979,1304 0.14,1305 1.015,1306 0.562,1307 0.468,1308 0.883,1309 0.841,1311 0.867,1312 3.714,1314 5.03,1315 2.398,1316 6.561,1317 4.949,1318 8.182,1319 7.195,1320 9.851,1328 6.192,1333 3.861,1340 21.16,1341 51.671,1342 105.199,1343 133.464,1344 146.974,1345 148.974,1346 148.974,1347 29.667,1348 6.494,1349 42.31,1350 42.31,1351 17,1352 12.252,1353 3.17,1354 2.585,1355 25.603,1356 45,1357 46,1358 0.285,1359 129.827,1360 229.16,1361 308.538,1362 4782,1364 12.535,1365 0.696,1366 0.57,1367 12.535,1368 10.263,1369 8.771,1370 0.439,1371 0.322,1372 6.363,1373 8.456,1374 6.255,1375 5.157,1376 8.771,1377 6.448,1378 7.734,1379 0.276,1380 0.175,1381 7.734,1382 4.9,1383 6.935,1384 0.178,1385 0.094,1386 6.935,1387 3.669,1388 5.74,1389 0.11,1390 0.052,1391 5.74,1392 2.689,1393 4.717,1394 0.074,1395 0.03,1396 4.717,1397 1.909,1398 0.424,1399 54.93,1400 0.272,1401 17.719,1402 0.85,1403 96,1404 276.761,1405 105.203,1406 263.875,1407 355.9,1408 246,1409 115,1410 255.907,1411 125.978,1412 258.277,1413 384.95,1414 243,1415 4}
{0 CHEMBL374970,1 1.576,2 6.188,3 1.784,4 3.181,5 57.488,6 8.046,7 0.353,8 3.395,9 3.49,10 3.017,11 2.967,12 4.613,13 2.961,14 3.919,15 4.067,16 3.392,17 3.327,18 5.138,19 3.308,20 4.155,21 4.337,22 3.51,23 3.369,24 5.605,25 3.372,26 4.071,27 4.23,28 3.42,29 3.247,30 5.64,31 3.27,32 3.968,33 4.103,34 3.134,35 3.059,36 5.603,37 3.067,38 3.758,39 3.929,40 2.617,41 2.881,42 5.069,43 2.788,44 3.585,45 3.821,46 2.034,47 2.61,48 4.687,49 2.422,50 3.182,51 3.49,52 1.201,53 2.081,54 4.034,55 1.806,56 0.045,57 0.364,58 4.473,59 2.488,60 9.433,61 2.919,62 0.182,63 0.593,64 9.103,65 4.109,66 21.592,67 5.193,68 0.377,69 0.688,70 13.628,71 4.878,72 69.697,73 6.127,74 0.346,75 0.615,76 12.209,77 4.324,78 65.675,79 5.055,80 0.447,81 0.515,82 11.321,83 3.714,84 90.89,85 3.756,86 0.273,87 0.416,88 9.355,89 3.514,90 58.747,91 3.962,92 0.211,93 0.35,94 8.606,95 3.105,96 42.712,97 4.002,98 0.14,99 0.226,100 6.489,101 2.12,102 26.594,103 3.076,104 20,105 24,106 0.31,107 0.64,108 0.798,109 0.856,110 0.871,111 0.871,112 2.856,113 0.913,114 -2.91,115 -2.92,116 -2.82,121 44.4,122 1,123 2,144 4,145 1,146 1,159 1,160 2,176 6,179 2,180 5,187 5,191 2,192 6,200 2,205 1,206 10,214 2,218 1,219 7,227 4,232 3,239 5,244 1,251 3,264 1,281 250,282 10.682,283 10.682,284 10.682,285 10.682,286 10.682,287 9.666,288 10.785,289 6.309,290 10.709,291 8.301,292 8.301,293 8.301,294 8.301,295 8.301,296 6.587,297 12.73,298 2.847,299 8.309,300 3.179,301 1.497,302 0.695,303 0.398,304 0.324,305 0.324,306 3.497,311 1,312 1,313 202,314 2.739,317 30.265,318 37.167,321 57.335,325 0.859,326 27.846,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 35.5,338 99,339 4.621,340 4.063,341 7.072,342 4.334,343 3.349,344 4.154,345 1.953,346 12.11,347 3.301,348 3.767,349 3.551,350 5.946,351 3.462,352 2.453,353 3.063,354 1.081,355 8.017,356 2.462,357 3.582,358 2.9,359 5.542,360 3.158,361 2.128,362 2.867,363 0.119,364 6.617,365 2.177,366 3.003,367 2.647,368 4.683,369 2.665,370 1.656,371 2.088,373 4.52,374 1.66,375 2.839,376 1.684,377 3.641,378 2.36,379 1.354,380 1.97,382 2.955,383 1.359,384 2.389,385 1.353,386 3.602,387 2.026,388 1.016,389 1.244,391 2.135,392 1.022,393 2.113,394 1.318,395 3.09,396 1.781,397 0.726,398 0.969,400 1.376,401 0.758,402 1.547,403 0.927,404 2.594,405 1.027,406 -0.057,407 -0.083,409 -0.126,410 -0.061,411 0.795,412 0.168,413 2.325,414 0.465,415 -0.576,416 -0.672,418 -0.916,419 -0.589,420 0.658,421 -0.018,422 2,423 0.328,424 -0.712,425 -0.986,427 -1.715,428 -0.737,429 0.557,430 -0.686,431 1.787,432 0.083,433 -0.922,434 -1.354,436 -2.248,437 -0.929,438 0.165,439 -0.827,440 1.462,441 -0.246,442 -1.343,443 -1.841,445 -3.364,446 -1.469,447 -0.289,448 -1.148,449 1.288,450 -0.495,451 -1.523,452 -2,454 -3.688,455 -1.567,456 -0.5,457 -1.429,458 1.239,459 -0.733,460 -1.737,461 -2,463 -5.222,464 -1.729,465 -0.567,466 -1.606,467 1.176,468 -0.932,469 -1.875,470 -2.193,471 -0.646,472 -5.93,473 -1.777,474 7.4,475 0.463,476 0.422,477 0.026,478 21,479 1.313,480 11,481 0.688,482 10,483 0.625,484 10.046,485 0.628,486 17.2,487 0.637,488 14.151,489 0.884,490 4.082,491 0.255,492 3.582,493 0.224,494 0.203,496 0.392,501 0.539,502 1.286,503 0.674,504 1.085,505 0.503,506 0.946,507 0.47,508 1.174,509 0.674,510 1.04,511 0.555,512 0.939,513 0.841,514 0.923,515 0.686,516 0.838,517 0.839,518 0.736,519 1.164,520 1.028,521 0.867,522 0.981,523 1.07,524 0.86,525 1.83,526 0.913,527 1.434,528 0.994,529 1.776,530 1.082,531 1.497,532 1.041,533 1.522,534 1.182,535 1.557,536 1.34,537 1.053,538 1.033,539 1.42,540 1.195,541 1.087,542 1.375,543 0.698,544 0.828,545 1.133,546 0.969,547 0.736,548 1.136,549 2.5,551 2.222,552 2.361,553 0.987,554 0.452,555 0.197,556 0.043,557 0.02,559 1588,560 5170,561 1.958,562 40.7,563 5,564 4,568 2,572 1.56,573 1.778,574 2.623,575 -0.734,579 1,582 42.554,583 1.576,584 3.258,585 4.06,586 4.357,587 4.431,588 4.431,589 2.108,590 3.625,591 3.968,592 2.688,593 322.518,594 6.727,595 2724.45,597 1,600 128.382,601 1.561,602 3.895,603 0.147,605 0.093,606 0.091,607 0.043,608 0.028,609 0.022,610 0.011,611 0.02,613 0.455,614 0.83,615 1,616 1.5,617 62.438,618 -0.014,619 -0.171,620 0.032,621 -0.056,622 -0.021,623 -0.015,624 0.173,625 -0.104,626 0.149,627 -0.052,628 0.025,629 0.012,630 0.131,631 0.081,632 0.281,633 0.11,634 0.102,635 0.214,636 -0.011,637 -0.032,638 0.103,639 -0.048,640 0.085,641 0.047,642 -0.297,643 0.049,644 -0.428,645 -0.084,646 -0.174,647 -0.241,648 -0.339,649 -0.153,650 -0.545,651 -0.21,652 -0.32,653 -0.394,654 -0.174,655 -0.182,656 -0.394,657 -0.218,658 -0.178,659 -0.341,660 -0.006,661 -0.024,662 -0.016,663 0.008,664 -0.059,665 -0.008,666 2.403,667 4.717,668 0.563,669 8.797,670 1.019,671 1.119,672 1.683,673 2.831,674 0.673,675 2.89,676 3.219,677 3.555,678 3.85,679 3.989,680 3.932,681 3.85,682 3.714,683 3.219,684 2.89,685 3.763,686 0.659,687 217.24,688 2.89,689 4.419,690 5.293,691 6.196,692 7.099,693 8.014,694 8.925,695 9.843,696 10.758,697 11.677,698 3.7,705 1,715 4,720 2,722 6,727 1,741 27,743 9,744 1,745 17,747 28,748 12,749 6,750 2,751 4,752 2,756 2,757 3,763 1,770 2,772 9,773 3,777 3,782 3,786 3,790 1,793 11,794 4,796 4,802 1,805 1,808 0.5,809 3,828 1,829 1,832 1,859 1,864 1,868 16,876 2,881 1,893 11.1,896 3,901 9,902 5.283,903 3.667,904 1.838,907 1.536,908 1.258,909 0.948,910 2.673,911 7.484,912 3.178,913 3.701,914 4.273,915 4.803,916 5.237,917 5.345,918 5.542,919 5.647,920 5.336,921 5.299,922 1,923 26,924 5.977,926 2.633,927 0.026,929 8.271,931 10.883,933 8.793,936 2.771,937 44.333,938 0.001,941 129.482,942 72.284,943 3.124,945 75.435,948 72.284,949 204.917,950 3.124,951 8.825,952 8.193,953 37.905,954 89.978,955 5.942,957 129.482,959 129.482,960 75.409,961 75.435,964 129.482,965 75.435,968 17.019,969 58.39,972 129.482,973 78.559,974 72.284,977 129.482,978 25.554,979 49.855,981 75.435,982 129.482,983 78.559,984 72.284,986 0.575,987 0.364,988 0.213,989 0.113,990 12,991 6,992 0.071,993 2,994 1,995 1.222,996 2.687,997 109.795,998 0.222,999 9,1000 64,1005 10.717,1006 3.991,1007 1.61,1009 78.559,1010 6.565,1015 0.73,1018 280.326,1019 23,1024 34.923,1028 -1.648,1031 27.502,1032 30.203,1034 0.331,1035 0.685,1036 0.854,1037 0.916,1038 0.932,1039 0.932,1040 4.413,1041 -0.057,1042 5.303,1043 1.376,1044 3.892,1045 4.382,1046 2.263,1047 6.201,1048 3.891,1049 5.618,1050 -0.576,1051 6.923,1052 -0.126,1053 3.611,1054 4.248,1055 1.668,1056 7.306,1057 3.609,1058 6.937,1059 -0.712,1060 8.653,1061 -0.916,1062 5.549,1063 6.505,1064 3.114,1065 10.491,1066 5.524,1067 8.297,1068 -0.922,1069 10.445,1070 -1.715,1071 6.133,1072 7.196,1073 3.157,1074 12.45,1075 6.098,1076 9.696,1077 -1.343,1078 12.278,1079 -2.248,1080 7.579,1081 8.962,1082 4.217,1083 15.17,1084 7.52,1085 11.122,1086 -1.523,1087 14.136,1088 -3.364,1089 8.539,1090 10.03,1091 4.581,1092 17.463,1093 8.464,1094 12.57,1095 -1.737,1096 16.014,1097 -3.688,1098 9.817,1099 11.607,1100 5.448,1101 20.033,1102 9.721,1103 3.349,1104 -1.875,1105 17.907,1106 -5.222,1107 10.929,1108 12.854,1109 5.967,1110 22.452,1111 10.817,1112 2.453,1113 12.11,1114 19.811,1115 -5.93,1116 12.154,1117 14.351,1118 6.737,1119 24.971,1120 12.023,1121 2.128,1122 8.017,1123 21.724,1124 4.154,1125 13.325,1126 15.686,1127 7.331,1128 27.438,1129 13.177,1130 1.656,1131 6.617,1132 23.645,1133 3.063,1134 14.536,1135 17.145,1136 8.052,1137 29.94,1138 14.371,1139 1.354,1140 4.52,1141 25.572,1142 2.867,1143 15.729,1144 18.523,1145 8.683,1146 32.424,1147 15.548,1148 1.016,1149 2.955,1150 27.504,1151 2.088,1152 16.936,1153 19.966,1154 9.379,1155 34.921,1156 16.739,1157 0.726,1158 2.135,1159 29.44,1160 1.97,1161 18.138,1162 21.366,1163 10.029,1164 37.411,1165 17.926,1166 1713,1167 3177,1168 10.751,1169 18.176,1170 26.076,1171 28.341,1172 27.624,1173 25.342,1174 25.364,1175 32.71,1176 6.305,1177 75.459,1178 25.479,1179 5.528,1180 6.063,1181 6.841,1182 5.334,1183 5.349,1184 7.154,1185 3.369,1186 19.551,1187 5.301,1188 8.806,1189 1.534,1190 1.667,1191 1.625,1192 1.491,1193 1.492,1194 1.924,1195 0.371,1196 4.439,1197 1.499,1198 4.021,1199 4.04,1200 3.992,1201 3.92,1202 7.5,1203 3.932,1204 3.662,1205 3.716,1206 3.541,1207 3.515,1208 7.425,1209 3.51,1210 3.433,1211 3.458,1212 3.352,1213 3.246,1214 7.351,1215 3.271,1216 3.158,1217 3.192,1218 3.033,1219 2.924,1220 4.706,1221 2.941,1222 2.855,1223 2.922,1224 2.715,1225 2.706,1226 4.094,1227 2.694,1228 2.605,1229 2.613,1230 2.544,1231 2.417,1232 3.771,1233 2.443,1234 2.53,1235 2.607,1236 2.337,1237 2.196,1238 3.614,1239 2.212,1240 2.325,1241 2.325,1242 2.158,1243 1.88,1244 3.292,1245 1.968,1246 0.272,1247 0.239,1248 0.416,1249 0.255,1250 0.197,1251 4.621,1252 0.244,1253 4.063,1254 0.115,1255 7.072,1256 0.712,1257 4.334,1258 0.194,1259 3.349,1260 4.154,1261 1.953,1262 12.11,1263 3.301,1264 1.882,1265 1.859,1266 1.987,1267 1.972,1268 1.183,1269 1.976,1270 1.675,1271 1.624,1272 1.925,1273 1.864,1274 1.075,1275 1.88,1276 1.377,1277 1.361,1278 1.495,1279 1.637,1280 0.57,1281 1.59,1282 1.103,1283 1.06,1284 1.325,1285 1.353,1286 0.335,1287 1.344,1288 0.844,1289 0.781,1290 1.087,1291 1.061,1292 0.197,1293 1.074,1294 0.766,1295 0.711,1296 1.031,1297 0.976,1298 0.036,1299 1.006,1300 0.36,1301 0.288,1302 0.797,1303 0.736,1305 0.736,1306 0.01,1308 0.459,1309 0.444,1311 0.476,1312 3.555,1314 4.875,1315 2.398,1316 6.415,1317 4.949,1318 8.057,1319 7.209,1320 9.753,1322 1.853,1328 0.923,1333 0.987,1340 17.8,1341 42.554,1342 87.976,1343 109.627,1344 117.627,1345 119.627,1346 119.627,1347 37.982,1348 5.948,1349 56.14,1350 56.14,1351 11,1352 12.187,1353 3.322,1354 2.807,1355 25.672,1356 35,1357 42,1358 0.39,1359 112.31,1360 202.07,1361 265.797,1362 2116,1364 11.707,1365 0.732,1366 0.556,1367 11.707,1368 8.896,1369 7.664,1370 0.451,1371 0.304,1372 5.107,1373 7.383,1374 4.986,1375 4.165,1376 7.664,1377 5.171,1378 6.674,1379 0.278,1380 0.151,1381 6.674,1382 3.631,1383 5.882,1384 0.173,1385 0.074,1386 5.882,1387 2.5,1388 5.037,1389 0.11,1390 0.038,1391 5.037,1392 1.76,1393 3.723,1394 0.07,1395 0.021,1396 3.723,1397 1.091,1398 0.56,1399 48.215,1400 0.305,1401 15.615,1402 1.234,1403 82,1404 296.852,1405 91.613,1406 280.041,1407 368.66,1408 258,1409 99,1410 260.134,1411 109.307,1412 259.638,1413 386.87,1414 245,1415 4}
{0 CHEMBL374981,1 1.438,2 18.878,3 6.755,4 45.627,5 162.978,6 6.688,7 0.386,8 4.495,9 4.62,10 3.958,11 3.998,12 5.517,13 3.96,14 5.065,15 5.253,16 4.261,17 4.388,18 6.013,19 4.316,20 5.322,21 5.546,22 4.403,23 4.551,24 6.266,25 4.458,26 5.392,27 5.619,28 4.395,29 4.558,30 6.344,31 4.462,32 5.448,33 5.686,34 4.339,35 4.55,36 6.411,37 4.44,38 5.424,39 5.673,40 4.213,41 4.52,42 6.359,43 4.382,44 5.419,45 5.693,46 4.067,47 4.431,48 6.332,49 4.278,50 5.278,51 5.544,52 3.891,53 4.312,54 6.15,55 4.149,56 0.079,57 1.153,58 19.533,59 8.361,60 12.928,61 11.229,62 0.399,63 1.824,64 36.189,65 13.734,66 38.286,67 19.032,68 0.594,69 2.266,70 47.365,71 17.313,72 61.243,73 24.754,74 0.544,75 2.401,76 51.223,77 17.332,78 66.903,79 25.199,80 0.972,81 2.442,82 55.337,83 17.55,84 92.748,85 25.687,86 0.706,87 2.373,88 53.413,89 17.911,90 81.836,91 26.197,92 0.689,93 2.221,94 53.879,95 17.479,96 96.431,97 25.545,98 0.623,99 1.925,100 46.669,101 15.635,102 83.453,103 22.49,104 35,105 58,106 0.218,107 0.496,108 0.672,109 0.779,110 0.837,111 0.87,112 3.74,113 1.004,114 -5.5,115 -5.38,116 -5.02,121 39.3,123 11,126 3,127 1,144 7,145 5,146 4,160 2,173 1,176 22,180 4,183 2,185 5,187 24,191 2,192 7,195 1,197 11,200 20,205 1,206 5,211 12,214 16,218 2,219 4,222 2,224 10,227 17,231 1,232 6,235 1,237 5,239 16,244 9,249 3,251 16,256 7,261 3,264 16,269 4,274 1,277 16,281 3628,282 28.336,283 28.336,284 28.336,285 28.336,286 28.336,287 26.078,288 27.59,289 17.218,290 28.927,291 21.561,292 21.561,293 21.561,294 21.561,295 21.561,296 17.718,297 23.233,298 7.941,299 22.163,300 4.954,301 3.114,302 1.952,303 1.248,304 0.863,305 0.646,306 4.437,313 1659,314 4.95,318 519.122,322 405.219,325 2.783,326 37.989,329 0.5,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.7,337 88.5,338 774,339 4.641,340 3.582,341 6.83,342 4.22,343 3.227,344 4.564,345 1.886,346 11.349,347 3.204,348 4.454,349 3.572,350 6.547,351 4.051,352 3.093,353 4.141,354 1.058,355 10.344,356 2.971,357 3.921,358 3.35,359 5.982,360 3.589,361 2.606,362 3.438,363 0.86,364 8.37,365 2.534,366 3.915,367 3.314,368 5.955,369 3.532,370 2.532,371 3.272,372 0.86,373 8.294,374 2.532,375 3.673,376 2.666,377 5.389,378 3.402,379 2.391,380 2.924,381 0.86,382 6.754,383 2.404,384 3.488,385 2.555,386 5.19,387 3.114,388 2.122,389 2.783,391 6.118,392 2.101,393 3.355,394 2.314,395 5.021,396 2.972,397 2.061,398 2.604,400 6.023,401 1.873,402 2.956,403 2.098,404 4.341,405 2.878,406 1.884,407 2.141,409 4.159,410 1.867,411 2.937,412 1.926,413 4.116,414 2.612,415 1.636,416 2.012,418 3.682,419 1.593,420 2.831,421 1.781,422 3.914,423 2.523,424 1.524,425 1.839,427 3.329,428 1.522,429 2.603,430 1.688,431 3.867,432 2.372,433 1.389,434 1.636,436 3.325,437 1.358,438 2.527,439 1.623,440 3.705,441 2.347,442 1.347,443 1.509,445 3.015,446 1.347,447 2.488,448 1.449,449 3.594,450 2.247,451 1.247,452 1.486,454 2.902,455 1.247,456 2.178,457 1.35,458 3.58,459 2.079,460 1.136,461 1.168,463 2.533,464 1.071,465 2.139,466 1.32,467 3.482,468 1.951,469 1.03,470 1.107,472 2.234,473 0.938,474 19.367,475 0.472,476 0.708,477 0.017,478 46,479 1.122,480 21,481 0.512,482 25,483 0.61,484 44.377,485 1.082,486 46.633,487 0.555,488 37.072,489 0.904,490 8.687,491 0.212,492 11.363,493 0.277,494 0.112,496 0.284,501 0.781,502 1.254,503 0.898,504 1.2,505 0.573,506 1.081,507 0.998,508 1.075,509 0.968,510 1.024,511 0.641,512 0.998,513 0.735,514 1.099,515 0.861,516 1.022,517 0.821,518 0.968,519 1.016,520 1.218,521 1.014,522 1.112,523 1.113,524 1.063,525 1.183,526 1.034,527 1.108,528 0.977,529 1.035,530 1.016,531 1.007,532 1.086,533 1.117,534 1.09,535 1.121,536 1.108,537 1.198,538 0.898,539 1.062,540 0.923,541 1.689,542 0.96,543 1.252,544 0.917,545 1.134,546 0.96,547 1.747,548 1.021,549 6,550 0.132,551 4.222,552 2.563,553 2.484,554 1.278,555 0.709,556 0.372,557 0.271,558 0.183,559 35758,560 84848,561 2.049,562 51.2,563 18,564 18,567 3,568 2,569 2,572 1.795,573 1.937,574 4.073,575 0.692,582 120.796,583 1.438,584 3.279,585 4.44,586 5.145,587 5.529,588 5.746,589 3.39,590 4.723,591 5.339,592 4.385,593 3595.96,594 9.357,595 74518.9,600 536.955,601 1.315,602 5.297,603 0.136,604 0.004,605 0.073,606 0.039,607 0.04,608 0.022,609 0.014,610 0.009,611 0.008,612 0.006,613 0.352,614 0.17,615 0.63,616 0.777,617 243.92,618 0.008,619 0.01,620 0.05,621 -0.023,622 0.019,623 0.014,624 -0.017,625 0.04,626 0.013,627 0.052,628 0.051,629 0.036,630 0.146,631 -0.046,632 0.111,633 0.014,634 0.077,635 0.05,636 -0.009,637 -0.157,638 -0.021,639 -0.112,640 -0.042,641 -0.074,642 0.003,643 -0.003,644 -0.087,645 -0.018,646 0.007,647 -0.059,648 -0.026,649 -0.069,650 -0.127,651 -0.115,652 -0.019,653 -0.13,654 -0.126,655 0.05,656 -0.058,657 0.018,658 -0.132,659 -0.002,660 -0.161,661 0.025,662 -0.133,663 -0.001,664 -0.202,665 -0.053,666 1.84,667 5.591,668 0.488,669 53.574,670 0.995,671 1.129,672 4.269,673 18.225,674 0.637,675 3.807,676 4.078,677 4.357,678 4.605,679 4.844,680 4.898,681 4.977,682 4.977,683 4.99,684 4.852,685 11.58,686 0.597,687 561.79,688 3.807,689 5.323,690 6.163,691 7.026,692 7.889,693 8.764,694 9.639,695 10.52,696 11.402,697 12.288,698 3.6,703 1,705 2,714 2,715 7,720 7,722 17,729 1,739 3,741 84,743 19,744 3,745 44,747 87,748 33,749 16,750 9,751 7,752 1,756 4,757 7,767 4,770 11,772 18,773 15,777 2,782 2,786 2,793 43,794 8,795 3,796 8,802 3,806 1,808 0.5,809 5,829 4,833 2,859 2,864 3,868 41,876 12,877 3,878 3,893 6,896 2,898 3,901 21.167,902 15.667,903 9.528,904 5.396,907 3.21,908 1.389,909 0.956,910 12.001,911 11.456,912 4.016,913 4.554,914 5.134,915 5.698,916 6.27,917 6.561,918 6.874,919 7.081,920 7.336,921 7.179,922 0.917,923 65,924 15.242,926 6.285,927 0.026,929 7.654,931 29.646,933 23.993,936 2.154,937 88.333,941 470.844,942 171.567,943 53.787,945 83.29,948 171.567,949 554.134,950 53.787,951 32.649,952 65.885,953 66.334,954 77.587,955 66.189,957 470.844,959 470.844,960 225.355,961 83.29,964 447.302,965 106.832,968 65.885,969 141.582,970 17.888,972 470.844,973 137.077,974 171.567,977 470.844,978 72.585,979 98.983,980 53.787,981 83.29,982 470.844,983 137.077,984 171.567,986 0.558,987 0.337,988 0.189,989 0.106,990 23,991 11,992 0.172,993 15,994 2,995 1.2,996 5.241,997 373.413,998 0.2,999 20,1000 211.66,1005 30.985,1006 15.88,1007 8.295,1008 2.374,1009 137.077,1010 13.984,1015 5.63,1017 53.787,1018 779.488,1019 54.5,1024 25.147,1028 -0.148,1031 83.614,1032 94.846,1034 0.225,1035 0.513,1036 0.695,1037 0.805,1038 0.865,1039 0.899,1040 5.238,1041 1.884,1042 6.116,1043 6.023,1044 4.762,1045 5.242,1046 2.596,1047 6.909,1048 4.717,1049 6.407,1050 1.636,1051 7.66,1052 4.159,1053 4.205,1054 5.075,1055 1.593,1056 7.818,1057 4.155,1058 7.704,1059 1.524,1060 9.312,1061 3.682,1062 6.323,1063 7.434,1064 3.144,1065 10.947,1066 6.243,1067 9.045,1068 1.389,1069 11.033,1070 3.329,1071 6.661,1072 8.159,1073 2.98,1074 12.734,1075 6.566,1076 10.425,1077 1.347,1078 12.799,1079 3.325,1080 8.186,1081 9.99,1082 4.066,1083 15.376,1084 8.074,1085 11.832,1086 1.247,1087 14.595,1088 3.015,1089 8.955,1090 11.118,1091 4.33,1092 17.514,1093 8.821,1094 13.261,1095 1.136,1096 16.413,1097 2.902,1098 10.242,1099 12.749,1100 5.191,1101 19.997,1102 10.096,1103 3.227,1104 1.03,1105 18.247,1106 2.533,1107 11.217,1108 14.069,1109 5.648,1110 22.284,1111 11.05,1112 3.093,1113 11.349,1114 20.093,1115 2.234,1116 12.412,1117 15.619,1118 6.399,1119 24.714,1120 12.232,1121 2.606,1122 10.344,1123 21.948,1124 4.564,1125 13.482,1126 17.032,1127 6.944,1128 27.067,1129 13.284,1130 2.532,1131 8.37,1132 23.812,1133 4.141,1134 14.644,1135 18.549,1136 7.64,1137 29.481,1138 14.433,1139 2.391,1140 8.294,1141 25.681,1142 3.438,1143 15.759,1144 20.008,1145 8.228,1146 31.864,1147 15.532,1148 2.122,1149 6.754,1150 27.556,1151 3.272,1152 16.912,1153 21.514,1154 8.895,1155 34.274,1156 16.673,1157 2.061,1158 6.118,1159 29.436,1160 2.924,1161 18.048,1162 22.995,1163 9.506,1164 36.673,1165 17.796,1166 34025,1167 52607,1168 29.413,1169 53.518,1170 63.114,1171 66.219,1172 66.339,1173 63.028,1174 63.228,1175 78.566,1176 11.048,1177 174.094,1178 61.606,1179 5.617,1180 5.582,1181 6.74,1182 5.24,1183 5.227,1184 7.564,1185 3.272,1186 18.88,1187 5.204,1188 20.869,1189 1.434,1190 1.505,1191 1.508,1192 1.432,1193 1.437,1194 1.786,1195 0.251,1196 3.957,1197 1.4,1198 4.131,1199 4.155,1200 4.086,1201 4.086,1202 7.431,1203 4.083,1204 3.961,1205 3.972,1206 3.925,1207 3.857,1208 7.427,1209 3.871,1210 3.801,1211 3.857,1212 3.662,1213 3.675,1214 4.969,1215 3.66,1216 3.732,1217 3.781,1218 3.616,1219 3.65,1220 4.89,1221 3.635,1222 3.664,1223 3.724,1224 3.544,1225 3.489,1226 4.58,1227 3.487,1228 3.499,1229 3.562,1230 3.398,1231 3.263,1232 4.462,1233 3.284,1234 3.357,1235 3.417,1236 3.229,1237 3.178,1238 4.409,1239 3.175,1240 3.303,1241 3.355,1242 3.144,1243 3.105,1244 4.253,1245 3.116,1246 0.105,1247 0.081,1248 0.155,1249 0.096,1250 0.073,1251 4.641,1252 0.104,1253 3.582,1254 0.043,1255 6.83,1256 0.258,1257 4.22,1258 0.073,1259 3.227,1260 4.564,1261 1.886,1262 11.349,1263 3.204,1264 2.107,1265 2.088,1266 2.193,1267 2.169,1268 1.471,1269 2.177,1270 1.89,1271 1.882,1272 2.05,1273 2.021,1274 1.407,1275 2.013,1276 1.801,1277 1.743,1278 1.958,1279 1.961,1280 1.217,1281 1.978,1282 1.754,1283 1.709,1284 1.95,1285 1.873,1286 1.175,1287 1.902,1288 1.64,1289 1.58,1290 1.884,1291 1.846,1292 1.079,1293 1.856,1294 1.424,1295 1.362,1296 1.67,1297 1.695,1298 0.93,1299 1.683,1300 1.307,1301 1.252,1302 1.59,1303 1.559,1304 0.769,1305 1.565,1306 1.249,1307 1.2,1308 1.573,1309 1.558,1310 0.666,1311 1.556,1312 4.489,1314 5.771,1316 7.263,1318 8.864,1320 10.53,1322 4.589,1328 11.593,1329 9.192,1330 15.974,1340 50.174,1341 120.796,1342 275.412,1343 372.999,1344 432.161,1345 464.425,1346 482.69,1347 96.471,1348 8.246,1349 97.92,1350 97.92,1351 24,1352 12.821,1353 4.322,1354 3.524,1355 77.261,1356 300,1357 219,1358 0.121,1359 308.834,1360 547.87,1361 745.316,1362 63278,1364 29.029,1365 0.708,1366 0.599,1367 29.029,1368 24.568,1369 20.05,1370 0.456,1371 0.335,1372 14.513,1373 19.258,1374 14.129,1375 11.823,1376 20.05,1377 14.719,1378 16.669,1379 0.287,1380 0.182,1381 16.669,1382 10.532,1383 14.237,1384 0.185,1385 0.101,1386 14.237,1387 7.742,1388 11.698,1389 0.118,1390 0.056,1391 11.698,1392 5.546,1393 9.666,1394 0.077,1395 0.032,1396 9.666,1397 4.003,1398 0.205,1399 126.161,1400 0.184,1401 38.245,1402 0.295,1403 204,1404 583.676,1405 222.227,1406 550.456,1407 746.93,1408 518,1409 237,1410 536.186,1411 255.811,1412 544.464,1413 791.21,1414 509,1415 8.294}
{0 CHEMBL375077,1 1.451,2 6.235,3 2.645,4 6.995,5 67.267,6 7.3,7 0.789,8 3.545,9 3.658,10 3.121,11 3.107,12 4.631,13 3.087,14 4.064,15 4.244,16 3.485,17 3.485,18 5.057,19 3.462,20 4.162,21 4.317,22 3.57,23 3.638,24 5.181,25 3.594,26 4.302,27 4.482,28 3.452,29 3.689,30 5.25,31 3.589,32 4.353,33 4.601,34 3.128,35 3.543,36 5.206,37 3.371,38 4.18,39 4.484,40 2.789,41 3.175,42 4.944,43 2.992,44 3.715,45 3.993,46 2.214,47 2.644,48 4.542,49 2.467,50 3.233,51 3.514,52 1.536,53 2.209,54 3.98,55 1.979,56 0.012,57 0.442,58 6.385,59 2.811,60 6.221,61 3.689,62 0.127,63 0.716,64 12.266,65 4.439,66 13.365,67 5.946,68 0.127,69 0.816,70 12.854,71 5.099,72 12.297,73 6.761,74 0.093,75 0.908,76 15.057,77 6.171,78 12.433,79 8.413,80 0.148,81 0.878,82 17.356,83 6.941,84 19.694,85 9.834,86 0.123,87 0.69,88 15.92,89 5.774,90 19.07,91 8.352,92 0.197,93 0.416,94 10.141,95 3.232,96 16.273,97 4.452,98 0.077,99 0.25,100 6.101,101 2.186,102 8.955,103 3.019,104 11,105 28,106 0.272,107 0.613,108 0.781,109 0.842,110 0.842,111 0.842,112 2.912,113 0.884,114 -2.78,115 -2.8,116 -2.71,121 45.2,122 1,126 2,144 4,145 2,146 1,147 1,148 1,154 2,176 4,180 7,187 4,191 1,192 7,200 5,206 2,214 4,218 1,219 3,227 3,232 1,239 1,243 1,244 1,281 244,282 11.577,283 11.577,284 11.577,285 11.577,286 11.577,287 9.805,288 9.901,289 6.579,290 11.921,291 9.283,292 9.283,293 9.283,294 9.283,295 9.283,296 6.564,297 10.539,298 3.001,299 9.73,300 3.503,301 1.682,302 0.783,303 0.46,304 0.46,305 0.46,306 3.584,311 1,312 1,313 228,314 2.121,317 21.399,318 59.756,321 86.212,325 0.983,326 7.346,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 36,338 106,339 4.851,340 3.418,341 7.107,342 4.348,343 3.378,344 4.965,345 0.86,346 12.297,347 3.277,348 4.035,349 2.835,350 6.037,351 3.57,352 2.606,353 3.706,355 8.45,356 2.513,357 3.63,358 2.49,359 5.611,360 3.182,361 2.246,362 3.083,364 6.997,365 2.092,366 3.517,367 2.156,368 5.239,369 3.052,370 2.084,371 2.927,373 6.438,374 2.013,375 2.963,376 1.67,377 4.636,378 2.464,379 1.523,380 2.171,382 4.332,383 1.429,384 2.708,385 1.309,386 3.888,387 2.239,388 1.257,389 1.798,391 3.039,392 1.233,393 2.357,394 1.088,395 3.572,396 1.898,397 0.933,398 1.3,400 2.225,401 0.897,402 1.622,403 0.898,404 2.859,405 1.327,406 0.46,407 0.517,409 0.711,410 0.395,411 1.085,412 0.026,413 2.648,414 0.702,415 -0.259,416 -0.321,418 -0.59,419 -0.248,420 0.968,421 -0.186,422 2.461,423 0.563,424 -0.396,425 -0.517,427 -0.947,428 -0.378,429 0.753,430 -0.441,431 2.322,432 0.323,433 -0.623,434 -0.844,436 -1.488,437 -0.584,438 0.534,439 -0.916,440 2.13,441 0.043,442 -0.944,443 -1.384,445 -2.819,446 -0.93,447 -0.037,448 -1.07,449 1.74,450 -0.402,451 -1.361,452 -1.72,454 -3.484,455 -1.246,456 -0.174,457 -1.212,458 1.498,459 -0.52,460 -1.432,461 -1.831,463 -3.819,464 -1.336,465 -0.337,466 -1.484,467 1.313,468 -0.748,469 -1.651,470 -2.186,472 -4.7,473 -1.509,474 8.133,475 0.478,476 0.452,477 0.027,478 23.75,479 1.397,480 12.5,481 0.735,482 11.25,483 0.662,484 11.113,485 0.654,486 17.667,487 0.57,488 14.635,489 0.861,490 4.829,491 0.284,492 3.391,493 0.199,494 0.184,496 0.418,501 0.865,502 1.349,503 0.77,504 1.104,505 0.879,506 0.955,507 1.4,508 0.874,509 0.744,510 0.628,511 0.965,512 0.606,513 1.128,514 0.99,515 0.97,516 0.919,517 1.016,518 0.919,519 0.915,520 1.246,521 1.223,522 1.273,523 0.914,524 1.277,525 0.59,526 1.128,527 1.136,528 1.273,529 0.948,530 1.272,531 0.802,532 0.932,533 0.845,534 0.962,535 0.856,536 0.921,537 1.783,538 0.767,539 1.285,540 0.919,541 1.473,542 1.033,543 1.51,544 1.031,545 1.311,546 1.124,547 1.549,548 1.209,549 3,551 2.222,552 2.236,553 1.062,554 0.584,555 0.254,556 0.075,557 0.02,559 2055,560 4988,561 2.091,562 45.2,564 10,566 1,568 3,572 1.577,573 1.925,574 2.666,575 -0.807,577 1,578 1,579 1,582 44.974,583 1.451,584 3.272,585 4.171,586 4.494,587 4.494,588 4.494,589 2.184,590 3.735,591 4.059,592 2.718,593 369.612,594 6.901,595 3188.24,597 1,599 1,600 153.58,601 1.496,602 4.004,603 0.158,605 0.079,606 0.075,607 0.042,608 0.036,609 0.023,610 0.015,611 0.01,613 0.439,614 1,615 1,616 0.922,617 67.593,618 0.02,619 -0.252,620 0.083,621 -0.113,622 -0.052,623 -0.026,624 -0.15,625 0.198,626 0.211,627 0.325,628 0.038,629 0.315,630 -0.107,631 0.111,632 -0.073,633 0.043,634 -0.102,635 -0.003,636 -0.145,637 -0.206,638 -0.336,639 -0.301,640 -0.171,641 -0.333,642 0.1,643 -0.204,644 -0.191,645 -0.291,646 -0.07,647 -0.278,648 0.086,649 -0.081,650 0.188,651 0.012,652 0.173,653 0.097,654 -0.084,655 0.118,656 -0.196,657 0.007,658 -0.075,659 -0.092,660 -0.218,661 -0.214,662 -0.263,663 -0.152,664 -0.295,665 -0.216,666 0.778,667 1.786,668 0.765,669 9.003,670 0.995,671 1.119,672 1.554,673 2.414,674 0.679,675 2.996,676 3.367,677 3.738,678 4.078,679 4.331,680 4.431,681 4.533,682 4.575,683 4.407,684 4.111,685 3.806,686 0.643,687 226.3,688 2.996,689 4.554,690 5.451,691 6.372,692 7.291,693 8.221,694 9.148,695 10.081,696 11.011,697 11.946,698 6.5,706 1,708 1,714 4,715 5,716 1,720 2,721 1,722 15,739 1,741 31,743 15,744 1,745 19,747 33,748 14,749 11,750 3,751 3,756 3,757 6,763 1,772 11,773 3,790 1,793 14,794 2,796 3,802 2,808 0.333,809 1,822 1,824 1,828 1,829 2,832 2,859 1,864 3,868 17,878 1,893 3.2,898 1,901 8.833,902 6.733,903 3.75,904 1.764,907 3.252,908 1.49,909 1.016,910 2.248,911 9.886,912 3.314,913 4.065,914 4.832,915 5.577,916 6.229,917 6.686,918 7.172,919 7.617,920 7.776,921 7.898,922 1,923 30,924 6.238,926 2.601,927 0.026,929 7.529,931 12.123,933 9.929,936 2.029,937 34.5,938 0.003,941 164.795,942 92.491,943 18.685,945 11,948 92.491,949 175.795,950 18.685,951 28.105,953 37.905,954 28.557,955 35.093,956 4.288,957 153.024,959 164.795,960 111.176,961 11,964 164.795,965 11,968 22.528,969 71.862,970 16.786,972 164.795,973 29.685,974 92.491,977 164.795,978 17.434,979 76.956,981 27.785,982 164.795,983 29.685,984 92.491,986 0.589,987 0.373,988 0.214,989 0.12,990 16,991 7,992 0.03,993 1,994 2,995 1.308,996 2.838,997 129.209,998 0.308,999 13,1000 69.487,1005 10.453,1006 3.656,1007 1.4,1008 4.842,1009 27.785,1010 10.079,1011 4.354,1015 1.944,1016 2.187,1018 286.971,1019 26.5,1031 30.833,1032 34.697,1034 0.293,1035 0.661,1036 0.842,1037 0.907,1038 0.907,1039 0.907,1040 4.551,1041 0.46,1042 5.468,1043 2.225,1044 4.043,1045 4.749,1046 0.908,1047 6.375,1048 3.962,1049 5.822,1050 -0.259,1051 7.088,1052 0.711,1053 3.761,1054 4.808,1056 7.466,1057 3.647,1058 7.184,1059 -0.396,1060 8.81,1061 -0.59,1062 5.72,1063 7.196,1064 0.739,1065 10.641,1066 5.575,1067 8.591,1068 -0.623,1069 10.592,1070 -0.947,1071 6.275,1072 8.114,1074 12.586,1075 6.096,1076 10.034,1077 -0.944,1078 12.413,1079 -1.488,1080 7.736,1081 9.993,1082 0.593,1083 15.306,1084 7.535,1085 11.504,1086 -1.361,1087 14.262,1088 -2.819,1089 8.67,1090 11.303,1092 17.6,1093 8.437,1094 12.995,1095 -1.432,1096 16.131,1097 -3.484,1098 9.956,1099 12.997,1100 0.469,1101 20.175,1102 9.7,1103 3.378,1104 -1.651,1105 18.016,1106 -3.819,1107 11.055,1108 14.48,1110 22.605,1111 10.769,1112 2.606,1113 12.297,1114 19.914,1115 -4.7,1116 12.285,1117 16.109,1118 0.366,1119 25.135,1120 11.974,1121 2.246,1122 8.45,1123 21.824,1124 4.965,1125 13.452,1126 17.662,1128 27.615,1129 13.11,1130 2.084,1131 6.997,1132 23.742,1133 3.706,1134 14.667,1135 19.27,1136 0.283,1137 30.13,1138 14.298,1139 1.523,1140 6.438,1141 25.668,1142 3.083,1143 15.862,1144 20.852,1146 32.628,1147 15.463,1148 1.257,1149 4.332,1150 27.599,1151 2.927,1152 17.075,1153 22.455,1154 0.217,1155 35.139,1156 16.648,1157 0.933,1158 3.039,1159 29.536,1160 2.171,1161 18.282,1162 24.048,1164 37.644,1165 17.824,1166 2073,1167 3300,1168 12.542,1169 21.034,1170 29.049,1171 29.372,1172 30.919,1173 28.916,1174 28.973,1175 40.936,1176 1.72,1177 88.978,1178 27.697,1179 5.406,1180 5.418,1181 6.654,1182 5.384,1183 5.378,1184 7.965,1185 1.72,1186 19.735,1187 5.277,1188 8.061,1189 1.529,1190 1.546,1191 1.627,1192 1.522,1193 1.525,1194 2.155,1195 0.091,1196 4.683,1197 1.458,1198 4.224,1199 4.253,1200 4.199,1201 4.14,1202 5.059,1203 4.152,1204 3.698,1205 3.732,1206 3.637,1207 3.588,1208 4.762,1209 3.595,1210 3.383,1211 3.455,1212 3.268,1213 3.153,1214 4.449,1215 3.169,1216 3.222,1217 3.298,1218 3.051,1219 3.062,1220 4.028,1221 3.049,1222 3.126,1223 3.219,1224 2.891,1225 2.879,1226 3.913,1227 2.867,1228 2.897,1229 2.964,1230 2.745,1231 2.765,1232 3.712,1233 2.752,1234 2.732,1235 2.82,1236 2.493,1237 2.563,1238 3.425,1239 2.533,1240 2.384,1241 2.48,1242 2.154,1243 2.201,1244 3.2,1245 2.18,1246 0.255,1247 0.18,1248 0.374,1249 0.229,1250 0.178,1251 4.851,1252 0.261,1253 3.418,1254 0.045,1255 7.107,1256 0.647,1257 4.348,1258 0.172,1259 3.378,1260 4.965,1261 0.86,1262 12.297,1263 3.277,1264 1.971,1265 1.955,1266 2.041,1267 2.041,1268 1.204,1269 2.042,1270 1.869,1271 1.83,1272 1.969,1273 2.028,1274 1.103,1275 2.013,1276 1.332,1277 1.268,1278 1.624,1279 1.606,1280 0.668,1281 1.61,1282 1.217,1283 1.134,1284 1.566,1285 1.461,1286 0.612,1287 1.5,1288 1.142,1289 1.053,1290 1.509,1291 1.393,1292 0.549,1293 1.438,1294 0.904,1295 0.844,1296 1.149,1297 1.076,1298 0.211,1299 1.104,1300 0.706,1301 0.638,1302 0.944,1303 0.909,1304 0.103,1305 0.932,1306 0.577,1307 0.496,1308 0.85,1309 0.781,1311 0.81,1312 3.664,1314 5.017,1315 2.398,1316 6.592,1317 4.949,1318 8.265,1319 7.235,1320 9.991,1322 5.809,1330 5.286,1340 19.918,1341 44.974,1342 101.441,1343 129.315,1344 139.315,1345 139.315,1346 139.315,1347 15.801,1348 6.635,1349 27.05,1350 27.05,1351 17,1352 12.446,1353 4,1354 3.087,1355 23.515,1356 40,1357 42,1358 0.326,1359 122.903,1360 195.93,1361 291.645,1362 5337,1364 11.991,1365 0.705,1366 0.599,1367 11.991,1368 10.189,1369 8.22,1370 0.433,1371 0.295,1372 5.511,1373 7.89,1374 5.251,1375 4.41,1376 8.22,1377 5.599,1378 7.424,1379 0.265,1380 0.151,1381 7.424,1382 4.235,1383 6.822,1384 0.166,1385 0.08,1386 6.822,1387 3.298,1388 6.011,1389 0.104,1390 0.043,1391 6.011,1392 2.47,1393 4.868,1394 0.065,1395 0.022,1396 4.868,1397 1.63,1398 0.47,1399 51.509,1400 0.282,1401 16.396,1402 1.028,1403 94,1404 249.026,1405 101.014,1406 242.235,1407 345.46,1408 230,1409 116,1410 266.179,1411 123.681,1412 273.692,1413 402.46,1414 256,1415 4.928}
{0 CHEMBL375078,1 1.714,2 4.929,3 0.275,4 0.076,5 45.453,6 10.061,7 0.4,8 3.127,9 3.181,10 2.897,11 2.682,12 4.579,13 2.744,14 3.552,15 3.606,16 3.305,17 3.048,18 5.214,19 3.103,20 3.761,21 3.848,22 3.358,23 3.054,24 5.494,25 3.123,26 3.696,27 3.802,28 3.157,29 2.852,30 5.341,31 2.927,32 3.542,33 3.664,34 2.841,35 2.362,36 5.278,37 2.521,38 2.985,39 3.098,40 2.19,41 1.451,42 5.418,43 1.606,44 1.479,45 1.683,46 0.208,47 0.399,48 2.773,49 0.369,56 0.179,57 0.258,58 1.652,59 1.53,60 32.695,61 1.069,62 0.31,63 0.393,64 2.386,65 2.443,66 58.033,67 2.026,68 0.463,69 0.454,70 4.796,71 3.052,72 93.714,73 2.663,74 0.46,75 0.414,76 5.079,77 2.708,78 79.712,79 2.131,80 0.491,81 0.307,82 6.174,83 2.321,84 96.511,85 1.67,86 0.507,87 0.139,88 4.912,89 1.243,90 113.69,91 1.084,92 0.078,93 0.027,94 1.313,95 0.263,96 17.146,97 0.238,104 18,105 22,106 0.365,107 0.722,108 0.828,109 0.881,110 0.904,111 0.904,112 2.737,113 0.766,114 -1.92,115 -1.98,116 -1.98,121 47.4,144 3,145 2,146 1,159 1,160 2,170 1,174 1,176 4,177 1,180 2,183 2,185 3,187 4,188 1,191 1,192 3,195 1,197 3,198 1,200 2,201 2,206 6,209 1,210 1,211 3,215 1,219 4,220 2,224 1,231 2,235 2,281 152,282 9.052,283 9.052,284 9.052,285 9.052,286 9.052,287 7.973,288 10.284,289 5.125,290 9.059,291 7.347,292 7.347,293 7.347,294 7.347,295 7.347,296 5.552,297 14.175,298 2.364,299 7.326,300 2.534,301 0.856,302 0.356,303 0.105,306 3.368,312 1,313 140,314 2.345,317 23.951,318 30.896,321 46.472,325 0.673,326 29.178,329 1,330 0.83,331 0.83,332 0.4,334 1,335 1,336 0.72,337 32.5,338 69,339 4.583,340 3.898,341 6.846,342 4.246,343 3.246,344 4.226,345 1.437,346 11.307,347 3.245,348 3.992,349 3.586,350 6.089,351 3.653,352 2.633,353 3.363,354 1.058,355 8.488,356 2.671,357 3.378,358 2.898,359 5.177,360 2.944,361 1.923,362 2.62,364 5.65,365 1.946,366 2.96,367 2.651,368 4.649,369 2.566,370 1.575,371 2.043,373 4.441,374 1.543,375 2.829,376 1.58,377 3.755,378 2.337,379 1.327,380 1.909,382 3.014,383 1.333,384 2.405,385 1.537,386 3.506,387 1.842,388 0.803,389 1.175,391 1.974,392 0.821,393 1.366,394 0.704,395 2.458,396 0.908,397 -0.148,398 -0.213,400 -0.349,401 -0.154,402 0.824,403 0.412,404 2.284,405 0.354,406 -0.67,407 -0.94,409 -1.631,410 -0.677,411 0.583,412 0.016,413 2.215,414 0.115,415 -0.921,416 -1.205,418 -2,419 -0.923,420 0.411,421 -0.522,422 1.682,423 -0.017,424 -1,425 -1.421,427 -2.449,428 -0.984,429 0.092,430 -1.011,431 1.495,432 -0.296,433 -1.37,434 -2,436 -3.822,437 -1.485,438 -0.5,439 -1.48,440 1.263,441 -0.668,442 -1.667,443 -2.041,445 -5.224,446 -1.686,447 -0.51,448 -1.568,449 1.093,450 -0.812,451 -1.799,452 -2.168,454 -5.859,455 -1.746,456 -0.58,457 -1.842,458 1,459 -0.972,460 -1.933,461 -2.347,462 -1.058,463 -6.123,464 -1.903,465 -0.833,466 -2,467 0.489,468 -1,469 -2,470 -3,471 -1.437,472 -7.416,473 -2,474 6.233,475 0.445,476 0.477,477 0.034,478 20,479 1.429,480 11,481 0.786,482 9,483 0.643,484 6.66,485 0.476,486 14.767,487 0.777,488 13.429,489 0.959,490 4.226,491 0.302,492 2.384,493 0.17,494 0.214,496 0.481,501 0.776,502 0.947,503 0.621,504 0.772,505 0.69,506 0.649,507 0.489,508 1.102,509 0.573,510 0.999,511 0.533,512 0.909,513 0.773,514 1.17,515 0.806,516 1.126,517 0.799,518 1.051,519 1.076,520 1.054,521 1.159,522 1.139,523 1.08,524 1.176,525 1.707,526 1.084,527 1.4,528 1.211,529 1.645,530 1.138,531 1.136,532 0.34,533 1.485,534 0.451,535 1.17,536 0.909,537 2.24,539 2.245,540 0.021,541 2.435,542 0.7,549 3,551 2.222,552 1.701,553 0.773,554 0.65,559 1078,560 5260,561 1.952,562 26.3,564 3,567 2,572 1.518,573 1.75,574 2.416,575 0.616,582 32.572,583 1.714,584 3.392,585 3.892,586 4.143,587 4.248,588 4.248,589 1.788,590 3.182,591 3.782,592 2.438,593 221.85,594 6.344,595 1725.44,597 1,600 80.711,601 1.557,602 3.689,603 0.2,605 0.101,606 0.077,607 0.045,608 0.059,613 0.483,614 0.67,615 1,616 1.06,617 50.995,618 -0.154,619 0.111,620 -0.074,621 0.166,622 -0.116,623 0.138,624 0.168,625 -0.078,626 0.027,627 -0.061,628 0.108,629 -0.098,630 0.045,631 -0.213,632 0.044,633 -0.18,634 0.038,635 -0.122,636 -0.16,637 -0.084,638 -0.207,639 -0.216,640 -0.19,641 -0.234,642 -0.494,643 -0.234,644 -0.158,645 -0.269,646 -0.43,647 -0.09,648 0.598,649 0.418,650 0.137,651 0.54,652 0.643,653 0.241,654 -0.785,655 0.738,656 -0.27,657 1.064,658 -0.832,659 0.864,666 2.836,667 4.166,668 0.643,669 5.959,670 1.062,671 1.114,672 0.693,673 0.48,674 0.702,675 2.773,676 3.135,677 3.434,678 3.689,679 3.829,680 3.784,681 3.689,682 3.434,683 2.89,684 2.398,685 3.302,686 0.733,687 191.15,688 2.773,689 4.317,690 5.187,691 6.089,692 6.984,693 7.889,694 8.79,695 9.696,696 10.598,697 11.504,698 5.3,705 1,715 3,720 3,722 6,727 1,731 1,741 19,743 9,744 1,745 15,747 20,748 9,749 6,750 3,751 3,752 3,756 2,757 3,772 9,777 3,782 3,786 3,793 5,794 5,795 2,796 5,802 1,808 0.5,809 4,828 1,829 1,832 1,843 1,857 1,859 1,868 14,875 1,877 1,893 21.1,895 1,896 3,901 8,902 3.45,903 3.056,904 1.001,907 1.652,908 1.289,909 0.934,910 1.775,911 7.379,912 3.091,913 3.676,914 4.259,915 4.774,916 5.256,917 5.437,918 5.623,919 5.596,920 5.238,921 4.979,922 1,923 22,924 5.178,925 0.002,926 2.372,927 0.026,929 8.75,931 8.943,932 0.001,933 7.27,934 -0.001,936 3.25,937 45.5,938 0.001,941 35.313,942 48.305,943 18.011,945 118.118,948 48.305,949 153.431,950 18.011,952 18.011,953 28.429,954 128.866,955 9.128,957 35.313,959 35.313,960 66.315,961 118.118,964 35.313,965 118.118,968 18.011,969 48.305,972 35.313,973 136.129,974 48.305,977 35.313,978 19.876,979 28.429,980 18.011,981 118.118,982 35.313,983 136.129,984 48.305,986 0.599,987 0.366,988 0.194,989 0.102,990 12,991 6,992 0.05,993 1,994 1,995 1.222,996 2.482,997 91.711,998 0.222,999 9,1000 53.303,1005 8.753,1006 2.839,1007 1.195,1009 136.129,1010 4.183,1015 0.145,1017 60.694,1018 219.747,1019 21,1024 32.83,1028 -2.645,1031 20.178,1032 21.166,1034 0.404,1035 0.798,1036 0.916,1037 0.975,1038 1,1039 1,1040 4.337,1041 -0.67,1042 5.22,1043 -0.349,1044 3.807,1045 4.357,1046 1.997,1047 6.103,1048 3.813,1049 5.577,1050 -0.921,1051 6.838,1052 -1.631,1053 3.611,1054 4.35,1056 7.168,1057 3.633,1058 6.913,1059 -1,1060 8.559,1061 -2,1062 5.468,1063 6.553,1064 2.487,1065 10.298,1066 5.479,1067 8.286,1068 -1.37,1069 10.335,1070 -2.449,1071 6.066,1072 7.331,1074 12.175,1075 6.091,1076 9.692,1077 -1.667,1078 12.146,1079 -3.822,1080 7.47,1081 9.075,1082 3.063,1083 14.841,1084 7.484,1085 11.121,1086 -1.799,1087 13.981,1088 -5.224,1089 8.404,1090 10.201,1092 17.039,1093 8.427,1094 12.568,1095 -1.933,1096 15.832,1097 -5.859,1098 9.649,1099 11.77,1100 3.7,1101 19.547,1102 9.664,1103 3.246,1104 -2,1105 17.696,1106 -6.123,1107 10.721,1108 13.055,1110 21.875,1111 10.739,1112 2.633,1113 11.307,1114 19.57,1115 -7.416,1116 11.911,1117 14.551,1118 4.375,1119 24.328,1120 11.924,1121 1.923,1122 8.488,1123 21.451,1124 4.226,1125 13.04,1126 15.912,1128 26.71,1129 13.054,1130 1.575,1131 5.65,1132 23.339,1133 3.363,1134 14.214,1135 17.377,1136 5.073,1137 29.144,1138 14.225,1139 1.327,1140 4.441,1141 25.232,1142 2.62,1143 15.368,1144 18.775,1146 31.55,1147 15.377,1148 0.803,1149 3.014,1150 27.129,1151 2.043,1152 16.538,1153 20.226,1154 5.783,1155 33.977,1156 16.545,1157 -0.148,1158 1.974,1159 29.03,1160 1.909,1161 17.702,1162 21.644,1164 36.393,1165 17.708,1166 1179,1167 2648,1168 9.364,1169 13.347,1170 23.494,1171 25.438,1172 24.844,1173 23.016,1174 23.015,1175 30.669,1176 4.99,1177 69.746,1178 23.116,1179 5.415,1180 5.898,1181 6.357,1182 5.246,1183 5.246,1184 7.226,1185 2.873,1186 18.723,1187 5.245,1188 7.971,1189 1.566,1190 1.696,1191 1.656,1192 1.534,1193 1.534,1194 2.045,1195 0.333,1196 4.65,1197 1.541,1198 4.018,1199 4.032,1200 3.991,1201 3.927,1202 7.499,1203 3.939,1204 3.493,1205 3.49,1206 3.466,1207 3.28,1208 7.474,1209 3.323,1210 3.248,1211 3.252,1212 3.182,1213 3.01,1214 7.352,1215 3.047,1216 2.765,1217 2.794,1218 2.7,1219 2.447,1220 6.351,1221 2.49,1222 2.588,1223 2.602,1224 2.528,1225 2.362,1226 4.669,1227 2.415,1228 2.415,1229 2.445,1230 2.291,1231 2.037,1232 3.926,1233 2.106,1234 2.027,1235 2.067,1236 1.802,1237 1.366,1238 3.512,1239 1.447,1240 1.819,1241 1.896,1242 1.591,1243 1.268,1244 2.928,1245 1.337,1246 0.306,1247 0.26,1248 0.456,1249 0.283,1250 0.216,1251 4.583,1252 0.282,1253 3.898,1254 0.096,1255 6.846,1256 0.754,1257 4.246,1258 0.216,1259 3.246,1260 4.226,1261 1.437,1262 11.307,1263 3.245,1264 1.894,1265 1.879,1266 1.972,1267 1.978,1268 1.1,1269 1.974,1270 1.383,1271 1.386,1272 1.432,1273 1.658,1274 0.359,1275 1.585,1276 1.05,1277 1.056,1278 1.167,1279 1.401,1280 0.201,1281 1.318,1282 0.943,1283 0.894,1284 1.121,1285 1.165,1286 0.027,1287 1.152,1288 0.458,1289 0.418,1290 0.776,1291 0.779,1293 0.789,1296 0.405,1297 0.444,1299 0.407,1302 0.284,1303 0.37,1305 0.241,1308 0.103,1309 0.223,1311 0.23,1312 3.434,1314 4.779,1315 2.398,1316 6.326,1317 4.844,1318 7.965,1319 7.018,1320 9.654,1327 8.759,1329 2.228,1340 13.934,1341 32.572,1342 64.446,1343 73.956,1344 78.711,1345 80.711,1346 80.711,1347 30.493,1348 5.727,1349 87.23,1350 87.23,1351 11,1352 12.023,1353 3.322,1354 2.807,1355 21.092,1356 28,1357 22,1358 0.42,1359 87.53,1360 158.96,1361 205.332,1362 1576,1364 10.293,1365 0.735,1366 0.493,1367 10.293,1368 6.904,1369 6.609,1370 0.441,1371 0.255,1372 3.756,1373 6.279,1374 3.717,1375 3.05,1376 6.609,1377 3.83,1378 6.239,1379 0.284,1380 0.128,1381 6.239,1382 2.817,1383 5.248,1384 0.175,1385 0.066,1386 5.248,1387 1.984,1388 4.231,1389 0.108,1390 0.035,1391 4.231,1392 1.347,1393 3.242,1394 0.072,1395 0.018,1396 3.242,1397 0.812,1398 0.594,1399 42.372,1400 0.327,1401 13.551,1402 1.365,1403 74,1404 317.689,1405 84.8,1406 298.18,1407 383.05,1408 272,1409 89,1410 262.193,1411 99.138,1412 262.469,1413 387.07,1414 246,1415 4}
{0 CHEMBL375126,1 1.715,2 7.9,3 3.789,4 14.354,5 77.813,6 10.557,7 0.545,8 3.501,9 3.568,10 3.361,11 3.206,12 4.739,13 3.189,14 3.996,15 4.092,16 3.797,17 3.606,18 5.261,19 3.577,20 4.246,21 4.363,22 4.024,23 3.714,24 5.704,25 3.66,26 4.231,27 4.399,28 3.632,29 3.555,30 5.487,31 3.484,32 4.086,33 4.239,34 3.483,35 3.376,36 5.462,37 3.332,38 3.904,39 4.037,40 3.435,41 3.302,42 5.273,43 3.243,44 3.749,45 3.869,46 3.533,47 3.201,48 5.226,49 3.132,50 3.504,51 3.642,52 3.41,53 2.909,54 5.073,55 2.8,56 0.076,57 0.334,58 1.801,59 2.024,60 8.942,61 2.23,62 0.192,63 0.573,64 4.358,65 3.538,66 15.931,67 3.822,68 0.427,69 0.703,70 14.753,71 5.418,72 58.24,73 5.902,74 0.386,75 0.731,76 14.949,77 5.801,78 48.662,79 6.149,80 0.427,81 0.6,82 14.292,83 5.074,84 57.982,85 4.931,86 0.326,87 0.471,88 10.574,89 4.179,90 46.432,91 4.212,92 0.279,93 0.387,94 7.444,95 3.591,96 41.832,97 3.73,98 0.298,99 0.282,100 9.471,101 3.159,102 39.734,103 3.414,104 17,105 32,106 0.325,107 0.611,108 0.739,109 0.88,110 0.906,111 0.906,112 3.059,113 0.917,114 -4.98,115 -4.88,116 -4.58,121 51.7,127 1,144 7,145 2,146 3,159 1,160 1,176 7,179 1,180 4,187 8,191 2,192 6,200 8,206 7,214 4,219 7,227 6,232 4,239 7,244 2,251 6,256 2,264 5,269 1,277 3,281 464,282 13.276,283 13.276,284 13.276,285 13.276,286 13.276,287 11.561,288 14.5,289 7.601,290 13.557,291 10.797,292 10.797,293 10.797,294 10.797,295 10.797,296 8.156,297 19.648,298 3.579,299 11.369,300 3.143,301 1.631,302 0.953,303 0.207,304 0.069,305 0.069,306 3.733,308 2,311 1,312 1,313 339,314 2.236,317 39.029,318 106.603,321 74.397,325 1.03,326 27.038,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 43.167,338 158,339 4.588,340 3.982,341 6.972,342 4.296,343 3.309,344 4.132,345 1.23,346 11.744,347 3.269,348 4.212,349 3.322,350 5.958,351 3.737,352 2.824,353 3.866,354 0.521,355 8.367,356 2.587,357 3.619,358 3.009,359 5.671,360 3.238,361 2.3,362 2.976,364 7.284,365 2.182,366 3.549,367 2.803,368 5.54,369 3.154,370 2.131,371 2.836,373 6.616,374 2.065,375 3.239,376 2.498,377 5.131,378 2.883,379 1.916,380 2.402,382 5.989,383 1.781,384 2.842,385 2.136,386 4.043,387 2.361,388 1.414,389 1.97,391 3.525,392 1.36,393 2.82,394 1.773,395 3.726,396 2.306,397 1.354,398 1.948,400 2.958,401 1.199,402 2.429,403 1.322,404 3.64,405 1.94,406 0.941,407 1.33,409 2.385,410 0.933,411 1.965,412 1.097,413 3.179,414 1.447,415 0.423,416 0.578,418 1.007,419 0.401,420 1.431,421 0.758,422 2.668,423 0.952,424 0.091,425 0.118,427 0.201,428 0.064,429 0.933,430 0.162,431 2.377,432 0.515,433 -0.399,434 -0.509,436 -1.011,437 -0.328,438 0.759,439 -0.018,440 2.346,441 0.287,442 -0.657,443 -0.86,445 -1.662,446 -0.527,447 0.596,448 -0.241,449 2.114,450 0.123,451 -0.854,452 -1.147,454 -2.107,455 -0.776,456 0.388,457 -0.794,458 2,459 -0.039,460 -1,461 -1.368,463 -2.598,464 -0.924,465 0.118,466 -0.829,467 1.487,468 -0.278,469 -1.334,470 -1.764,472 -3.428,473 -1.117,474 9.995,475 0.5,476 0.597,477 0.03,478 28.25,479 1.413,480 15.5,481 0.775,482 12.75,483 0.638,484 13.393,485 0.67,486 20.005,487 0.69,488 19.037,489 0.952,490 5.658,491 0.283,492 3.917,493 0.196,494 0.21,496 0.39,501 0.538,502 1.094,503 0.466,504 0.735,505 0.509,506 0.716,507 0.625,508 1.091,509 0.576,510 0.777,511 0.586,512 0.805,513 0.716,514 1.176,515 0.783,516 1.027,517 0.698,518 1.034,519 1.088,520 1.087,521 0.941,522 1.045,523 1.043,524 1.096,525 1.381,526 0.878,527 0.976,528 0.981,529 1.562,530 1.01,531 1.242,532 0.85,533 0.976,534 0.965,535 1.459,536 1.012,537 1.083,538 0.958,539 0.92,540 0.915,541 1.246,542 0.938,543 0.911,544 0.938,545 1.351,546 1.122,547 0.854,548 1.026,549 4,550 0.012,551 2.889,552 2.299,553 1.076,554 0.678,555 0.355,556 0.339,557 0.179,558 0.046,559 3517,560 13961,561 2.048,562 31,564 9,572 1.62,573 1.875,574 2.975,575 -0.738,577 1,579 1,582 49.749,583 1.715,584 3.227,585 3.904,586 4.651,587 4.789,588 4.789,589 2.366,590 3.922,591 4.297,592 3.07,593 583.37,594 7.351,595 5822.34,596 1,597 1,598 1,599 1,600 140.881,601 1.522,602 4.231,603 0.182,604 0.012,605 0.09,606 0.07,607 0.043,608 0.031,609 0.018,610 0.019,611 0.015,612 0.009,613 0.489,614 0.67,615 1,616 0.68,617 87.09,618 -0.018,619 -0.111,620 0.004,621 -0.022,622 -0.035,623 0.001,624 0.018,625 -0.053,626 0.014,627 -0.002,628 -0.01,629 -0.024,630 0.176,631 -0.192,632 0.086,633 -0.119,634 0.176,635 -0.128,636 -0.17,637 -0.055,638 -0.1,639 -0.072,640 -0.09,641 -0.079,642 -0.238,643 0.126,644 -0.137,645 0.011,646 -0.229,647 -0.013,648 -0.178,649 0.08,650 -0.105,651 0.014,652 -0.237,653 -0.033,654 0.011,655 -0.075,656 0.128,657 0.098,658 -0.067,659 0.055,660 0.301,661 -0.085,662 0.215,663 0.034,664 0.228,665 0.099,666 2.183,667 5.036,668 0.75,669 12.5,670 1.028,671 1.099,672 3.747,673 14.042,674 0.774,675 3.135,676 3.497,677 3.807,678 4.06,679 4.277,680 4.263,681 4.344,682 4.443,683 4.394,684 4.317,685 4.742,686 0.75,687 306.15,688 3.135,689 4.691,690 5.565,691 6.46,692 7.353,693 8.254,694 9.154,695 10.058,696 10.962,697 11.868,698 3.4,705 1,715 7,720 5,722 12,727 1,740 2,741 29,743 14,744 2,745 22,747 31,748 15,749 12,750 5,751 7,752 2,756 3,757 4,758 2,772 14,773 1,777 2,782 2,786 2,790 1,793 9,794 3,796 5,797 2,802 1,808 0.667,809 2,828 1,829 2,832 1,844 1,859 2,865 2,868 20,876 1,881 1,892 2,893 6.9,896 2,901 10.667,902 5.402,903 4.333,904 1.674,907 2.395,908 1.356,909 1.008,910 3.342,911 9.117,912 3.434,913 4.043,914 4.625,915 5.125,916 5.637,917 5.722,918 5.98,919 6.305,920 6.521,921 6.707,922 1,923 33,924 7.395,926 3.276,927 0.026,929 8.069,931 13.638,933 11.341,936 2.569,937 51.389,941 105.94,942 94.407,943 3.124,944 78.297,945 50.29,948 94.407,949 234.527,950 3.124,952 5.23,953 66.334,954 60.128,955 16.129,957 105.94,958 78.297,959 105.94,960 97.531,961 50.29,962 78.297,964 105.94,965 50.29,968 5.23,969 92.301,970 78.297,972 105.94,973 53.414,974 172.704,977 105.94,978 28.073,979 69.458,981 128.587,982 105.94,983 53.414,984 172.704,986 0.596,987 0.365,988 0.189,989 0.104,990 17,991 8,992 0.065,993 2,994 1,995 1.133,996 3.157,997 155.253,998 0.133,999 15,1000 86.439,1005 13.314,1006 5.021,1007 2.28,1009 53.414,1010 12.113,1015 2.776,1018 332.058,1019 30,1024 23.916,1028 -0.988,1031 29.822,1032 31.881,1034 0.353,1035 0.664,1036 0.804,1037 0.957,1038 0.986,1039 0.986,1040 4.682,1041 0.941,1042 5.58,1043 2.958,1044 4.174,1045 4.727,1046 1.487,1047 6.441,1048 4.088,1049 5.909,1050 0.423,1051 7.18,1052 2.385,1053 3.892,1054 4.59,1055 0.325,1056 7.438,1057 3.72,1058 7.233,1059 0.091,1060 8.881,1061 1.007,1062 5.82,1063 6.911,1064 1.615,1065 10.579,1066 5.676,1067 8.591,1068 -0.399,1069 10.64,1070 0.201,1071 6.347,1072 7.551,1073 0.74,1074 12.421,1075 6.146,1076 9.981,1077 -0.657,1078 12.434,1079 -1.011,1080 7.788,1081 9.377,1082 1.853,1083 15.105,1084 7.602,1085 11.394,1086 -0.854,1087 14.255,1088 -1.662,1089 8.682,1090 10.382,1091 1.168,1092 17.314,1093 8.468,1094 12.826,1095 -1,1096 16.094,1097 -2.107,1098 9.946,1099 11.997,1100 2.14,1101 19.847,1102 9.737,1103 3.309,1104 -1.334,1105 17.949,1106 -2.598,1107 11.004,1108 13.188,1109 1.605,1110 22.21,1111 10.782,1112 2.824,1113 11.744,1114 19.818,1115 -3.428,1116 12.208,1117 14.701,1118 2.456,1119 24.694,1120 11.986,1121 2.3,1122 8.367,1123 21.697,1124 4.132,1125 13.337,1126 15.989,1127 2.049,1128 27.118,1129 13.109,1130 2.131,1131 7.284,1132 23.586,1133 3.866,1134 14.523,1135 17.45,1136 2.793,1137 29.587,1138 14.293,1139 1.916,1140 6.616,1141 25.483,1142 2.976,1143 15.684,1144 18.79,1145 2.494,1146 32.034,1147 15.45,1148 1.414,1149 5.989,1150 27.386,1151 2.836,1152 16.868,1153 20.224,1154 3.145,1155 34.499,1156 16.63,1157 1.354,1158 3.525,1159 29.296,1160 2.402,1161 18.043,1162 21.592,1163 2.938,1164 36.956,1165 17.8,1166 3476,1167 7014,1168 14.334,1169 22.438,1170 34.112,1171 36.488,1172 35.358,1173 33.631,1174 33.406,1175 44.316,1176 3.503,1177 100.153,1178 31.684,1179 5.488,1180 5.982,1181 6.651,1182 5.315,1183 5.309,1184 7.132,1185 2.335,1186 18.959,1187 5.269,1188 10.6,1189 1.551,1190 1.659,1191 1.607,1192 1.529,1193 1.518,1194 2.014,1195 0.159,1196 4.552,1197 1.44,1198 4.036,1199 4.057,1200 4.123,1201 3.947,1202 7.497,1203 3.953,1204 3.882,1205 3.897,1206 3.968,1207 3.841,1208 7.352,1209 3.832,1210 3.459,1211 3.482,1212 3.448,1213 3.286,1214 5.04,1215 3.31,1216 3.163,1217 3.189,1218 3.398,1219 3.033,1220 4.712,1221 3.029,1222 2.879,1223 2.922,1224 3.306,1225 2.792,1226 4.491,1227 2.766,1228 2.855,1229 2.906,1230 2.883,1231 2.741,1232 4.277,1233 2.729,1234 2.605,1235 2.613,1236 2.595,1237 2.418,1238 3.834,1239 2.443,1240 2.539,1241 2.587,1242 2.543,1243 2.338,1244 3.615,1245 2.327,1246 0.209,1247 0.181,1248 0.317,1249 0.195,1250 0.15,1251 4.588,1252 0.188,1253 3.982,1254 0.056,1255 6.972,1256 0.534,1257 4.296,1258 0.149,1259 3.309,1260 4.132,1261 1.23,1262 11.744,1263 3.269,1264 1.916,1265 1.895,1266 2.003,1267 1.997,1268 1.177,1269 2.006,1270 1.86,1271 1.841,1272 1.948,1273 1.928,1274 1.063,1275 1.941,1276 1.419,1277 1.406,1278 1.506,1279 1.658,1280 0.679,1281 1.607,1282 1.124,1283 1.095,1284 1.274,1285 1.31,1286 0.296,1287 1.307,1288 0.868,1289 0.824,1290 1.089,1291 1.018,1292 0.169,1293 1.058,1294 0.828,1295 0.788,1296 1.07,1297 0.984,1298 0.146,1299 1.022,1300 0.756,1301 0.714,1302 0.912,1303 0.946,1305 0.948,1306 0.406,1307 0.329,1308 0.701,1309 0.636,1311 0.688,1312 3.807,1314 5.153,1315 2.398,1316 6.701,1317 4.949,1318 8.334,1319 7.195,1320 10.012,1323 11.826,1328 0.29,1333 1.456,1340 21.74,1341 49.749,1342 93.578,1343 113.23,1344 134.881,1345 138.881,1346 138.881,1347 38.192,1348 6.723,1349 39.07,1350 39.07,1351 17,1352 12.387,1353 3.907,1354 3.17,1355 29.882,1356 56,1357 56,1358 0.268,1359 140.509,1360 247.06,1361 334.601,1362 6374,1363 6.9,1364 14.276,1365 0.714,1366 0.589,1367 15.276,1368 11.78,1369 9.575,1370 0.435,1371 0.306,1372 5.975,1373 8.792,1374 5.784,1375 4.739,1376 10.153,1377 6.725,1378 8.864,1379 0.277,1380 0.166,1381 9.605,1382 5.3,1383 7.917,1384 0.18,1385 0.09,1386 8.832,1387 3.943,1388 6.19,1389 0.109,1390 0.045,1391 6.591,1392 2.546,1393 5.115,1394 0.072,1395 0.025,1396 5.484,1397 1.76,1398 0.404,1399 65.495,1400 0.264,1401 19.515,1402 0.779,1403 108,1404 357.523,1405 146.105,1406 405.744,1407 524.79,1408 374,1409 130,1410 330.519,1411 165.544,1412 355.409,1413 526.02,1414 334,1415 4.317}
{0 CHEMBL375304,1 1.571,2 8.818,3 2.212,4 4.895,5 81.363,6 8.176,7 0.5,8 3.692,9 3.792,10 3.333,11 3.284,12 4.91,13 3.279,14 4.188,15 4.327,16 3.708,17 3.653,18 5.419,19 3.637,20 4.426,21 4.583,22 3.772,23 3.738,24 5.811,25 3.709,26 4.452,27 4.654,28 3.634,29 3.641,30 5.699,31 3.598,32 4.346,33 4.518,34 3.547,35 3.433,36 5.871,37 3.431,38 4.185,39 4.395,40 3.338,41 3.283,42 5.625,43 3.254,44 3.976,45 4.147,46 3.19,47 3.236,48 5.283,49 3.203,50 3.944,51 4.148,52 3.149,53 3.255,54 5.146,55 3.2,56 0.049,57 0.498,58 5.796,59 3.101,60 7.119,61 3.617,62 0.191,63 0.806,64 11.075,65 5.089,66 18.669,67 6.265,68 0.426,69 0.975,70 15.69,71 6.387,72 60.753,73 7.636,74 0.275,75 0.964,76 18.096,77 6.921,78 44.316,79 8.662,80 0.492,81 0.831,82 16.474,83 5.563,84 88.317,85 6.193,86 0.436,87 0.706,88 15.2,89 5.067,90 78.167,91 6.246,92 0.255,93 0.586,94 10.938,95 4.093,96 45.71,97 4.59,98 0.204,99 0.574,100 11.012,101 4.258,102 29.267,103 5.28,104 17,105 34,106 0.283,107 0.599,108 0.743,109 0.863,110 0.897,111 0.897,112 3.147,113 0.86,114 -3.44,115 -3.42,116 -3.27,121 47.2,122 1,127 1,144 8,145 2,146 2,159 1,160 2,176 9,179 1,180 3,183 1,185 2,187 10,191 3,192 4,195 1,197 2,200 5,206 7,211 2,214 1,218 1,219 9,222 1,224 2,231 1,232 6,235 1,237 2,244 5,249 1,251 4,256 4,264 8,269 4,277 10,281 600,282 14.637,283 14.637,284 14.637,285 14.637,286 14.637,287 12.821,288 17.553,289 8.583,290 14.714,291 11.829,292 11.829,293 11.829,294 11.829,295 11.829,296 8.983,297 24.714,298 4.078,299 11.924,300 3.598,301 1.843,302 1.042,303 0.375,304 0.188,305 0.188,306 3.823,310 1,311 1,312 1,313 416,314 2.915,317 46.577,318 129.254,321 88.011,325 1.231,326 30.453,328 1,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 48,338 194,339 4.587,340 3.99,341 6.972,342 4.296,343 3.308,344 4.13,345 1.96,346 11.74,347 3.269,348 4.071,349 3.594,350 5.696,351 3.686,352 2.703,353 3.661,354 1.197,355 7.761,356 2.654,357 3.673,358 2.962,359 5.555,360 3.35,361 2.349,362 2.983,363 0.357,364 7.167,365 2.342,366 3.591,367 2.763,368 5.533,369 3.162,370 2.137,371 2.866,372 0.127,373 6.61,374 2.179,375 3.305,376 2.723,377 4.976,378 2.997,379 2.015,380 2.493,382 5.815,383 1.966,384 3.134,385 2.142,386 4.571,387 2.738,388 1.728,389 2.291,391 4.746,392 1.735,393 2.842,394 1.858,395 3.695,396 2.361,397 1.354,398 1.97,400 2.958,401 1.36,402 2.659,403 1.326,404 3.64,405 2.182,406 1.184,407 1.731,409 2.599,410 1.181,411 2.424,412 1.24,413 3.478,414 1.927,415 0.919,416 1.309,418 2.306,419 0.921,420 1.915,421 1.162,422 3.122,423 1.383,424 0.309,425 0.442,427 0.755,428 0.325,429 1.188,430 0.588,431 2.69,432 0.827,433 -0.164,434 -0.211,436 -0.42,437 -0.163,438 0.939,439 0.186,440 2.36,441 0.576,442 -0.423,443 -0.526,445 -0.981,446 -0.422,447 0.886,448 -0.019,449 2.141,450 0.524,451 -0.506,452 -0.683,454 -1.229,455 -0.513,456 0.653,457 -0.132,458 2,459 0.202,460 -0.828,461 -1.129,463 -2.018,464 -0.839,465 0.519,466 -0.643,467 2,468 0.041,469 -1,470 -1.375,472 -2.457,473 -0.992,474 10.3,475 0.468,476 0.613,477 0.028,478 31.5,479 1.432,480 17.5,481 0.795,482 14,483 0.636,484 13.671,485 0.621,486 22.7,487 0.631,488 22.941,489 1.043,490 6.465,491 0.294,492 4.094,493 0.186,494 0.146,496 0.379,501 0.603,502 1.192,503 0.683,504 0.972,505 0.519,506 0.862,507 0.562,508 1.144,509 0.733,510 0.986,511 0.558,512 0.91,513 0.854,514 1.037,515 1,516 1.055,517 0.896,518 1.054,519 1.004,520 1.145,521 0.934,522 1.095,523 0.941,524 1.013,525 1.569,526 1.101,527 1.178,528 1.045,529 1.578,530 1.027,531 1.2,532 0.858,533 0.928,534 0.79,535 1.191,536 0.797,537 1.475,538 0.92,539 1.173,540 0.886,541 1.442,542 0.948,543 0.979,544 0.622,545 0.905,546 0.722,547 0.881,548 0.77,549 4.5,550 0.045,551 2.444,552 2.611,553 1.044,554 0.789,555 0.32,556 0.281,557 0.174,558 0.151,559 4867,560 14418,561 2.043,562 38.9,563 3,564 10,567 1,572 1.645,573 1.886,574 3.117,575 -0.31,576 1,577 1,579 1,582 56.573,583 1.571,584 3.326,585 4.128,586 4.795,587 4.982,588 4.982,589 2.487,590 4.187,591 4.435,592 3.278,593 757.13,594 7.615,595 8315.97,596 1,597 1,599 1,600 186.117,601 1.495,602 4.376,603 0.188,604 0.006,605 0.072,606 0.077,607 0.036,608 0.032,609 0.015,610 0.015,611 0.009,612 0.009,613 0.458,614 0.67,615 1,616 0.65,617 100.775,618 -0.04,619 -0.102,620 0.03,621 -0.012,622 -0.047,623 0.017,624 0.12,625 -0.071,626 0.078,627 -0.036,628 0.022,629 -0.003,630 0.131,632 -0.093,633 -0.115,634 0.045,635 -0.147,636 -0.056,637 -0.178,638 0.064,639 -0.128,640 -0.006,641 -0.027,642 -0.085,643 -0.116,644 -0.13,645 -0.122,646 -0.041,647 -0.131,648 0.062,649 0.098,650 0.159,651 0.168,652 0.098,653 0.182,654 -0.294,655 0.062,656 -0.199,657 0.072,658 -0.223,659 -0.019,660 -0.122,661 0.349,662 0.071,663 0.27,664 -0.037,665 0.236,666 2.333,667 5.125,668 0.682,669 15.545,670 1.014,671 1.114,672 2.214,673 4.902,674 0.693,675 3.219,676 3.555,677 3.829,678 4.111,679 4.277,680 4.234,681 4.248,682 4.304,683 4.205,684 4.22,685 5.424,686 0.676,687 294.33,688 3.219,689 4.762,690 5.617,691 6.506,692 7.381,693 8.277,694 9.16,695 10.06,696 10.949,697 11.851,698 5.6,705 2,715 8,720 4,722 12,727 1,741 36,743 15,744 2,745 24,747 38,748 17,749 12,750 4,751 8,752 2,756 3,757 4,763 1,772 15,773 2,777 3,782 3,786 3,789 1,790 1,793 14,794 5,795 1,796 5,802 2,808 0.667,809 3,828 1,829 2,832 1,843 1,844 1,859 2,864 1,868 22,876 1,877 1,881 1,893 8.3,896 3,901 11.667,902 6.867,903 4.806,904 2.068,907 2.29,908 1.337,909 0.992,910 3.677,911 9.09,912 3.526,913 4.094,914 4.625,915 5.145,916 5.611,917 5.642,918 5.814,919 6.035,920 5.976,921 6.129,922 0.833,923 34,924 8.185,926 3.596,927 0.026,929 8.076,931 15.076,933 12.297,936 2.576,937 56.667,941 153.024,942 113.168,943 21.135,945 75.435,948 113.168,949 228.459,950 21.135,951 8.825,952 23.241,953 75.81,954 89.978,955 11.885,957 153.024,959 153.024,960 134.303,961 75.435,964 153.024,965 75.435,968 32.066,969 102.237,972 153.024,973 96.57,974 113.168,977 153.024,978 28.533,979 87.759,980 18.011,981 75.435,982 153.024,983 96.57,984 113.168,986 0.586,987 0.345,988 0.193,989 0.104,990 17,991 8,992 0.079,993 3,994 1,995 1.133,996 3.395,997 171.977,998 0.133,999 15,1000 96.107,1005 14.332,1006 5.644,1007 2.758,1009 96.57,1010 14.056,1015 2.513,1017 18.011,1018 362.762,1019 33,1024 35.995,1028 -1.581,1031 36.487,1032 40.116,1034 0.304,1035 0.643,1036 0.798,1037 0.927,1038 0.964,1039 0.964,1040 4.762,1041 1.184,1042 5.617,1043 2.958,1044 4.234,1045 4.779,1046 2.349,1047 6.45,1048 4.22,1049 5.973,1050 0.919,1051 7.192,1052 2.599,1053 3.892,1054 4.575,1055 1.668,1056 7.394,1057 3.878,1058 7.28,1059 0.309,1060 8.87,1061 2.306,1062 5.844,1063 6.906,1064 3.192,1065 10.543,1066 5.802,1067 8.62,1068 -0.164,1069 10.608,1070 0.755,1071 6.312,1072 7.471,1073 3.162,1074 12.371,1075 6.268,1076 9.992,1077 -0.423,1078 12.387,1079 -0.42,1080 7.772,1081 9.314,1082 4.289,1083 15.061,1084 7.703,1085 11.388,1086 -0.506,1087 14.196,1088 -0.981,1089 8.631,1090 10.261,1091 4.591,1092 17.275,1093 8.556,1094 12.804,1095 -0.828,1096 16.028,1097 -1.229,1098 9.905,1099 11.89,1100 5.512,1101 19.814,1102 9.81,1103 3.308,1104 -1,1105 17.879,1106 -2.018,1107 10.947,1108 13.041,1109 5.987,1110 22.184,1111 10.843,1112 2.703,1113 11.74,1114 19.747,1115 -2.457,1116 12.156,1117 14.563,1118 6.798,1119 24.672,1120 12.036,1121 2.349,1122 7.761,1123 21.627,1124 4.13,1125 13.281,1126 15.827,1127 7.363,1128 27.101,1129 13.15,1130 2.137,1131 7.167,1132 23.518,1133 3.661,1134 14.471,1135 17.294,1136 8.113,1137 29.573,1138 14.327,1139 2.015,1140 6.61,1141 25.419,1142 2.983,1143 15.633,1144 18.621,1145 8.727,1146 32.023,1147 15.477,1148 1.728,1149 5.815,1150 27.327,1151 2.866,1152 16.82,1153 20.059,1154 9.443,1155 34.489,1156 16.652,1157 1.354,1158 4.746,1159 29.242,1160 2.493,1161 17.998,1162 21.422,1163 10.083,1164 36.947,1165 17.818,1166 4755,1167 8313,1168 15.72,1169 24.943,1170 36.901,1171 39.013,1172 37.808,1173 36.078,1174 36.015,1175 47.755,1176 7.282,1177 104.914,1178 35.864,1179 5.528,1180 5.99,1181 6.65,1182 5.335,1183 5.308,1184 7.13,1185 3.435,1186 18.952,1187 5.269,1188 11.309,1189 1.538,1190 1.626,1191 1.575,1192 1.503,1193 1.501,1194 1.99,1195 0.303,1196 4.371,1197 1.494,1198 4.026,1199 4.049,1200 3.992,1201 3.926,1202 7.498,1203 3.936,1204 3.92,1205 3.951,1206 3.857,1207 3.852,1208 7.428,1209 3.848,1210 3.558,1211 3.598,1212 3.482,1213 3.365,1214 7.352,1215 3.39,1216 3.38,1217 3.393,1218 3.332,1219 3.168,1220 4.761,1221 3.204,1222 3.16,1223 3.237,1224 2.976,1225 3.007,1226 4.706,1227 2.989,1228 2.958,1229 3.021,1230 2.847,1231 2.791,1232 4.021,1233 2.792,1234 2.818,1235 2.879,1236 2.686,1237 2.686,1238 3.884,1239 2.676,1240 2.605,1241 2.635,1242 2.545,1243 2.417,1244 3.793,1245 2.443,1246 0.191,1247 0.166,1248 0.29,1249 0.179,1250 0.138,1251 4.587,1252 0.172,1253 3.99,1254 0.082,1255 6.972,1256 0.489,1257 4.296,1258 0.136,1259 3.308,1260 4.13,1261 1.96,1262 11.74,1263 3.269,1264 1.917,1265 1.887,1266 2.039,1267 2.02,1268 1.136,1269 2.025,1270 1.88,1271 1.857,1272 1.984,1273 1.961,1274 1.096,1275 1.97,1276 1.533,1277 1.502,1278 1.68,1279 1.779,1280 0.842,1281 1.745,1282 1.271,1283 1.253,1284 1.537,1285 1.528,1286 0.605,1287 1.497,1288 1.177,1289 1.111,1290 1.326,1291 1.392,1292 0.303,1293 1.408,1294 0.949,1295 0.893,1296 1.172,1297 1.176,1298 0.231,1299 1.175,1300 0.807,1301 0.751,1302 1.073,1303 0.988,1304 0.147,1305 1.022,1306 0.743,1307 0.703,1308 0.962,1309 0.963,1310 0.01,1311 0.965,1312 3.892,1314 5.22,1315 2.398,1316 6.742,1317 4.949,1318 8.351,1319 7.195,1320 10.007,1322 1.925,1328 -0.185,1329 2.732,1333 1.211,1340 24.348,1341 56.573,1342 119.753,1343 148.608,1344 172.608,1345 179.362,1346 179.362,1347 46.449,1348 6.8,1349 68.17,1350 68.17,1351 17,1352 12.375,1353 4,1354 3.322,1355 34.502,1356 72,1357 64,1358 0.239,1359 150.891,1360 268.39,1361 359.934,1362 7470,1364 15.69,1365 0.713,1366 0.545,1367 15.69,1368 11.998,1369 10.559,1370 0.44,1371 0.287,1372 6.794,1373 10.209,1374 6.608,1375 5.495,1376 10.559,1377 6.878,1378 9.709,1379 0.286,1380 0.152,1381 9.709,1382 5.155,1383 8.06,1384 0.179,1385 0.077,1386 8.06,1387 3.482,1388 6.835,1389 0.114,1390 0.041,1391 6.835,1392 2.472,1393 5.338,1394 0.075,1395 0.022,1396 5.338,1397 1.554,1398 0.37,1399 66.029,1400 0.252,1401 21.579,1402 0.667,1403 116,1404 379.185,1405 127.334,1406 365.243,1407 486.96,1408 338,1409 137,1410 347.684,1411 148.89,1412 352.691,1413 516.12,1414 331,1415 4}
{0 CHEMBL375862,1 1.471,2 6.063,3 2.29,4 5.245,5 63.298,6 7.354,7 0.833,8 3.491,9 3.61,10 3.059,11 3.053,12 4.608,13 3.034,14 3.981,15 4.152,16 3.451,17 3.46,18 5.029,19 3.431,20 4.174,21 4.341,22 3.492,23 3.598,24 5.238,25 3.539,26 4.295,27 4.515,28 3.279,29 3.565,30 5.234,31 3.444,32 4.227,33 4.518,34 2.969,35 3.315,36 5.088,37 3.15,38 3.817,39 4.065,40 2.597,41 2.939,42 4.772,43 2.794,44 3.555,45 3.836,46 2.05,47 2.552,48 4.466,49 2.336,50 3.197,51 3.522,52 1.258,53 1.924,54 4.078,55 1.677,56 0.034,57 0.425,58 6.082,59 2.538,60 6.649,61 3.319,62 0.064,63 0.688,64 10.683,65 4.16,66 8.69,67 5.701,68 0.125,69 0.817,70 13.105,71 5.177,72 14.301,73 6.906,74 0.115,75 0.876,76 15.75,77 6.01,78 16.158,79 8.402,80 0.171,81 0.744,82 16.341,83 5.984,84 20.901,85 8.718,86 0.098,87 0.495,88 10.394,89 3.777,90 15.789,91 5.234,92 0.116,93 0.353,94 8.333,95 3.074,96 13.922,97 4.377,98 0.098,99 0.217,100 6.42,101 2.023,102 15.845,103 2.822,104 10,105 27,106 0.279,107 0.666,108 0.782,109 0.847,110 0.86,111 0.86,112 2.857,113 0.895,114 -2.52,115 -2.55,116 -2.49,121 44.8,122 1,126 1,144 4,145 2,146 1,147 1,148 1,154 2,176 4,185 5,187 4,189 2,197 6,199 1,200 5,203 1,211 1,214 4,216 1,223 1,224 1,227 3,229 2,239 1,241 1,249 1,250 1,281 194,282 10.654,283 10.654,284 10.654,285 10.654,286 10.654,287 8.842,288 5.913,289 6.001,290 10.858,291 8.85,292 8.85,293 8.85,294 8.85,295 8.85,296 6.15,297 3.851,298 2.843,299 9.191,300 3.387,301 1.349,302 0.742,303 0.397,304 0.328,305 0.328,306 3.526,311 1,312 1,313 210,314 1.871,317 19.133,318 55.668,321 78.759,325 0.953,326 9.379,329 1,330 0.83,331 1,332 0.6,333 0.5,334 1,335 1,336 0.85,337 34,338 97,339 4.768,340 3.325,341 6.89,342 4.263,343 3.286,344 4.867,346 11.529,347 3.211,348 4.142,349 2.845,350 6.159,351 3.677,352 2.719,353 3.835,355 8.815,356 2.604,357 3.615,358 2.447,359 5.349,360 3.168,361 2.22,362 3.045,364 6.368,365 2.098,366 3.377,367 1.937,368 4.98,369 2.869,370 1.898,371 2.793,373 5.764,374 1.838,375 3.185,376 1.841,377 4.852,378 2.7,379 1.749,380 2.476,382 5.115,383 1.657,384 2.676,385 1.264,386 4.052,387 2.193,388 1.202,389 1.759,391 3.192,392 1.19,393 2.047,394 0.788,395 3.352,396 1.569,397 0.618,398 0.859,400 1.557,401 0.586,402 1.454,403 0.401,404 2.788,405 1.149,406 0.18,407 0.219,409 0.4,410 0.174,411 1.104,412 -0.014,413 2.524,414 0.661,415 -0.275,416 -0.36,418 -0.681,419 -0.255,420 0.648,421 -0.648,422 2.359,423 0.162,424 -0.824,425 -1.104,427 -2.278,428 -0.791,429 0.5,430 -0.817,431 2.265,432 0.063,433 -0.878,434 -1.238,436 -2.582,437 -0.839,438 0.044,439 -1.093,440 1.83,441 -0.356,442 -1.313,443 -1.668,445 -3.273,446 -1.211,447 -0.033,448 -1.227,449 1.512,450 -0.402,451 -1.332,452 -1.825,454 -3.792,455 -1.285,456 -0.171,457 -1.32,458 1.349,459 -0.496,460 -1.44,461 -1.985,463 -4.25,464 -1.358,465 -0.415,466 -1.878,467 1.219,468 -0.899,469 -1.891,470 -2.812,472 -5.688,473 -1.793,474 7.633,475 0.477,476 0.507,477 0.032,478 22,479 1.375,480 11.5,481 0.719,482 10.5,483 0.656,484 10.228,485 0.639,486 16.667,487 0.575,488 13.309,489 0.832,490 4.435,491 0.277,492 3.229,493 0.202,494 0.175,496 0.445,501 1.048,502 1.211,503 0.821,504 0.935,505 1.024,506 0.861,507 0.846,508 1.032,509 0.709,510 0.799,511 0.501,512 0.732,513 1.066,514 1.075,515 1.059,516 1.042,517 0.94,518 1.044,519 0.905,520 1.192,521 1.2,522 1.224,523 0.801,524 1.238,525 0.573,526 0.848,527 0.848,528 0.931,529 0.57,530 0.924,531 1.202,532 1.079,533 1.175,534 1.158,535 1.266,536 1.167,537 0.784,538 0.992,539 1.12,540 1.203,541 1.147,542 1.217,543 1.813,544 0.653,545 1.101,546 0.787,547 2.196,548 0.864,549 3.5,551 2.444,552 1.576,553 1.133,554 0.532,555 0.223,556 0.1,559 1790,560 4219,561 2.097,562 44.8,564 7,566 1,567 2,568 3,572 1.557,573 1.92,574 2.653,575 0.39,577 1,578 1,579 1,582 42.67,583 1.471,584 3.509,585 4.116,586 4.461,587 4.53,588 4.53,589 2.149,590 3.875,591 3.975,592 2.673,593 320.733,594 6.717,595 2639.92,597 1,599 1,600 140.881,601 1.505,602 3.912,603 0.194,605 0.091,606 0.058,607 0.057,608 0.038,609 0.025,610 0.025,613 0.488,614 1,615 1,616 0.703,617 62.033,618 -0.114,619 -0.086,620 0.032,621 0.043,622 -0.183,623 0.051,624 -0.038,625 0.068,626 0.183,627 0.167,628 0.098,629 0.202,630 -0.108,631 0.002,632 -0.165,633 -0.081,634 -0.081,635 -0.124,636 -0.121,637 -0.191,638 -0.276,639 -0.268,640 -0.116,641 -0.286,642 0.18,643 0.037,644 0.156,645 0.044,646 0.178,647 0.091,648 -0.118,649 -0.169,650 -0.182,651 -0.2,652 -0.091,653 -0.199,654 0.223,655 -0.158,656 -0.098,657 -0.23,658 0.026,659 -0.213,660 -0.184,661 0.093,662 0.05,663 0.164,664 -0.173,665 0.137,666 1.362,667 3.513,668 0.813,669 7.766,670 0.996,671 1.12,672 1.29,673 1.665,674 0.678,675 2.944,676 3.332,677 3.664,678 3.97,679 4.248,680 4.344,681 4.431,682 4.511,683 4.263,684 4.007,685 3.678,686 0.643,687 213.28,688 2.944,689 4.511,690 5.398,691 6.312,692 7.222,693 8.141,694 9.059,695 9.98,696 10.901,697 11.823,698 6.9,706 1,708 1,714 4,715 5,717 1,720 2,721 1,722 15,738 1,741 29,743 15,744 1,745 18,747 31,748 13,749 11,750 3,751 3,756 3,757 6,763 1,772 11,773 2,790 1,793 13,794 1,795 2,796 3,802 2,803 1,808 0.333,809 1,822 1,824 1,828 1,829 2,832 2,859 1,864 2,868 16,875 1,893 3.4,895 1,901 8.333,902 5.867,903 3.389,904 1.71,907 3.252,908 1.499,909 1.017,910 1.946,911 9.772,912 3.277,913 4.047,914 4.783,915 5.511,916 6.178,917 6.644,918 7.128,919 7.598,920 7.706,921 7.869,922 1,923 27,924 5.881,926 2.525,927 0.026,929 7.656,931 11.345,933 9.53,936 2.156,937 34.5,938 0.003,941 129.482,942 76.365,943 18.685,945 42.683,948 76.365,949 172.165,950 18.685,951 17.222,953 37.905,954 56.354,955 33.736,956 4.288,957 117.711,959 129.482,960 95.05,961 42.683,964 129.482,965 42.683,968 37.415,969 55.736,970 1.899,972 129.482,973 61.368,974 76.365,977 129.482,978 12.191,979 66.073,980 16.786,981 42.683,982 129.482,983 61.368,984 76.365,986 0.603,987 0.364,988 0.195,989 0.116,990 16,991 7,994 2,995 1.308,996 2.765,997 118.438,998 0.308,999 13,1000 62,1005 9.664,1006 3.221,1007 1.337,1008 4.41,1009 42.683,1010 9.514,1012 3.382,1015 1.493,1016 2.081,1017 59.469,1018 267.215,1019 25.5,1031 28.891,1032 32.49,1034 0.303,1035 0.722,1036 0.847,1037 0.918,1038 0.932,1039 0.932,1040 4.519,1041 0.18,1042 5.425,1043 1.557,1044 4.007,1045 4.732,1047 6.308,1048 3.937,1049 5.801,1050 -0.275,1051 7.034,1052 0.4,1053 3.761,1054 4.808,1056 7.33,1057 3.647,1058 7.163,1059 -0.824,1060 8.742,1061 -0.681,1062 5.673,1063 7.172,1065 10.475,1066 5.545,1067 8.566,1068 -0.878,1069 10.504,1070 -2.278,1071 6.217,1072 8.065,1074 12.322,1075 6.053,1076 9.999,1077 -1.313,1078 12.302,1079 -2.582,1080 7.653,1081 9.935,1083 15.007,1084 7.476,1085 11.456,1086 -1.332,1087 14.125,1088 -3.273,1089 8.553,1090 11.208,1092 17.201,1093 8.349,1094 12.932,1095 -1.44,1096 15.967,1097 -3.792,1098 9.817,1099 12.89,1101 19.728,1102 9.597,1103 3.286,1104 -1.891,1105 17.824,1106 -4.25,1107 10.876,1108 14.337,1110 22.066,1111 10.633,1112 2.719,1113 11.529,1114 19.693,1115 -5.688,1116 12.079,1117 15.949,1119 24.536,1120 11.819,1121 2.22,1122 8.815,1123 21.571,1124 4.867,1125 13.207,1126 17.472,1128 26.935,1129 12.925,1130 1.898,1131 6.368,1132 23.457,1133 3.835,1134 14.392,1135 19.059,1137 29.386,1138 14.091,1139 1.749,1140 5.764,1141 25.35,1142 3.045,1143 15.551,1144 20.615,1146 31.809,1147 15.228,1148 1.202,1149 5.115,1150 27.249,1151 2.793,1152 16.732,1153 22.195,1155 34.254,1156 16.389,1157 0.618,1158 3.192,1159 29.151,1160 2.476,1161 17.904,1162 23.765,1164 36.689,1165 17.54,1166 1794,1167 2822,1168 11.849,1169 19.654,1170 27.859,1171 27.97,1172 29.266,1173 27.797,1174 27.745,1175 39.705,1177 85.479,1178 26.711,1179 5.268,1180 5.325,1181 6.192,1182 5.299,1183 5.286,1184 7.867,1186 19.02,1187 5.211,1188 7.724,1189 1.548,1190 1.554,1191 1.626,1192 1.544,1193 1.541,1194 2.206,1196 4.749,1197 1.484,1198 4.228,1199 4.26,1200 4.198,1201 4.14,1202 6.471,1203 4.151,1204 3.765,1205 3.812,1206 3.699,1207 3.637,1208 5.02,1209 3.646,1210 3.32,1211 3.383,1212 3.223,1213 3.115,1214 4.521,1215 3.128,1216 3.192,1217 3.268,1218 3.037,1219 3.053,1220 4.028,1221 3.042,1222 3.025,1223 3.117,1224 2.819,1225 2.819,1226 3.941,1227 2.81,1228 2.806,1229 2.884,1230 2.589,1231 2.655,1232 3.697,1233 2.627,1234 2.535,1235 2.597,1236 2.353,1237 2.268,1238 3.541,1239 2.27,1240 2.2,1241 2.311,1242 1.968,1243 1.964,1244 2.959,1245 1.953,1246 0.265,1247 0.185,1248 0.383,1249 0.237,1250 0.183,1251 4.768,1252 0.27,1253 3.325,1255 6.89,1256 0.64,1257 4.263,1258 0.178,1259 3.286,1260 4.867,1262 11.529,1263 3.211,1264 1.993,1265 1.972,1266 2.073,1267 2.107,1268 1.247,1269 2.098,1270 1.879,1271 1.841,1272 1.979,1273 2.014,1274 1.089,1275 2.007,1276 1.264,1277 1.183,1278 1.568,1279 1.526,1280 0.635,1281 1.535,1282 1.221,1283 1.155,1284 1.531,1285 1.417,1286 0.61,1287 1.464,1288 1.039,1289 0.964,1290 1.28,1291 1.316,1292 0.302,1293 1.317,1294 0.82,1295 0.749,1296 1.102,1297 1.004,1298 0.182,1299 1.044,1300 0.667,1301 0.604,1302 0.923,1303 0.951,1305 0.941,1306 0.17,1307 0.055,1308 0.596,1309 0.555,1311 0.575,1312 3.611,1314 4.977,1315 2.398,1316 6.547,1317 4.844,1318 8.211,1319 7.066,1320 9.924,1322 4.106,1327 9.513,1340 18.655,1341 42.67,1342 101.762,1343 119.372,1344 129.372,1345 131.372,1346 131.372,1347 16.703,1348 6.519,1349 39.9,1350 39.9,1351 17,1352 12.33,1353 4,1354 3.087,1355 21.656,1356 37,1357 31,1358 0.329,1359 114.775,1360 179.95,1361 271.811,1362 4640,1364 11.284,1365 0.705,1366 0.583,1367 11.284,1368 9.334,1369 7.665,1370 0.426,1371 0.298,1372 5.306,1373 7.423,1374 5.109,1375 4.274,1376 7.665,1377 5.372,1378 7.319,1379 0.271,1380 0.159,1381 7.319,1382 4.285,1383 6.513,1384 0.171,1385 0.087,1386 6.513,1387 3.289,1388 5.319,1389 0.102,1390 0.042,1391 5.319,1392 2.2,1393 4.594,1394 0.067,1395 0.023,1396 4.594,1397 1.569,1398 0.474,1399 47.633,1400 0.291,1401 15.5,1402 1.032,1403 90,1404 212.815,1405 96.239,1406 213.57,1407 303.45,1408 200,1409 110,1410 237.537,1411 116.685,1412 243.925,1413 358.61,1414 230,1415 6}
{0 CHEMBL376011,1 1.548,2 5.357,3 1.905,4 3.63,5 53.009,6 8.373,7 0.938,8 3.257,9 3.355,10 2.929,11 2.871,12 4.479,13 2.874,14 3.69,15 3.806,16 3.294,17 3.261,18 4.886,19 3.25,20 3.894,21 4.055,22 3.251,23 3.31,24 5.039,25 3.264,26 3.852,27 4.064,28 2.973,29 3.136,30 4.879,31 3.051,32 3.552,33 3.776,34 2.642,35 2.759,36 4.681,37 2.666,38 3.281,39 3.525,40 2.127,41 2.277,42 4.437,43 2.186,44 2.663,45 2.953,46 1.178,47 1.415,48 3.85,49 1.258,50 1.559,51 1.936,52 0.113,53 0.514,54 1.946,55 0.342,56 0.043,57 0.318,58 3.56,59 1.755,60 6.425,61 1.91,62 0.041,63 0.502,64 5.602,65 2.813,66 6.435,67 3.257,68 0.126,69 0.6,70 8.378,71 3.691,72 15.873,73 4.338,74 0.11,75 0.562,76 9.287,77 3.767,78 14.732,79 4.779,80 0.106,81 0.395,82 7.315,83 2.968,84 12.254,85 3.952,86 0.108,87 0.298,88 6.138,89 2.062,90 16.008,91 2.488,92 0.125,93 0.143,94 3.986,95 1.172,96 16.638,97 1.509,98 0.023,99 0.045,100 1.415,101 0.368,102 2.935,103 0.591,104 2,105 23,106 0.311,107 0.626,108 0.786,109 0.896,110 0.896,111 0.896,112 2.738,113 0.823,114 -1.97,115 -2.02,116 -2.02,121 50,144 4,145 2,146 1,147 2,154 2,176 4,180 1,185 5,187 4,192 1,195 1,197 5,200 4,206 1,211 1,214 2,219 2,223 1,224 1,227 1,232 1,247 1,281 138,282 9.654,283 9.654,284 9.654,285 9.654,286 9.654,287 7.94,288 2.157,289 5.681,290 9.813,291 7.926,292 7.926,293 7.926,294 7.926,295 7.926,296 5.374,297 1.163,298 2.723,299 8.194,300 2.912,301 1.341,302 0.545,306 3.411,311 1,312 1,313 166,314 1.581,317 15.863,318 45.458,321 64.668,325 0.837,326 10.294,329 1,330 0.67,331 0.83,332 0.4,334 1,335 1,336 0.7,337 30,338 75,339 4.707,340 3.218,341 6.759,342 4.192,343 3.209,344 4.805,346 11.112,347 3.152,348 3.883,349 2.581,350 5.605,351 3.394,352 2.425,353 3.527,355 7.271,356 2.348,357 3.437,358 2.11,359 4.973,360 2.955,361 2,362 2.836,364 5.766,365 1.901,366 3.241,367 1.755,368 4.827,369 2.717,370 1.748,371 2.602,373 5.181,374 1.69,375 2.891,376 1.398,377 3.793,378 2.342,379 1.393,380 2.085,382 3.063,383 1.319,384 2.5,385 1,386 3.59,387 1.978,388 1,389 1.5,391 2.541,392 0.975,393 1.906,394 0.514,395 3.056,396 1.38,397 0.432,398 0.63,400 1.043,401 0.408,402 1.034,403 -0.102,404 2.423,405 0.573,406 -0.356,407 -0.47,409 -0.854,410 -0.327,411 0.804,412 -0.696,413 2.281,414 0.278,415 -0.696,416 -1.045,418 -1.845,419 -0.677,420 0.5,421 -0.877,422 2,423 -0.012,424 -1,425 -1.389,427 -2.538,428 -0.922,429 0.426,430 -1,431 2,432 -0.071,433 -1,434 -1.5,436 -2.873,437 -0.988,438 -0.038,439 -1.282,440 1.472,441 -0.448,442 -1.385,443 -1.945,445 -3.626,446 -1.304,447 -0.367,448 -1.859,449 1.114,450 -0.87,451 -1.863,452 -2.789,454 -5.235,455 -1.775,456 -0.423,457 -1.899,458 1.091,459 -0.969,460 -1.907,461 -2.848,463 -5.674,464 -1.862,465 -0.5,466 -2,467 0.698,468 -1,469 -2,470 -3,472 -6.329,473 -1.938,474 6.633,475 0.474,476 0.329,477 0.023,478 21.75,479 1.554,480 12.5,481 0.893,482 9.25,483 0.661,484 6.585,485 0.47,486 13.767,487 0.626,488 11.854,489 0.847,490 4.368,491 0.312,492 2.476,493 0.177,494 0.05,496 0.377,501 1.014,502 0.996,503 0.719,504 0.754,505 0.981,506 0.697,507 0.762,508 1.135,509 0.775,510 0.966,511 0.593,512 0.883,513 0.997,514 0.994,515 1.053,516 1.031,517 0.982,518 1.05,519 0.898,520 1.055,521 1.097,522 1.106,523 0.846,524 1.125,525 0.664,526 1.042,527 0.947,528 1.172,529 0.785,530 1.128,531 1.688,532 1.046,533 1.322,534 1.1,535 1.735,536 1.14,537 1.697,538 0.528,539 1.275,540 0.705,541 2.163,542 0.905,543 0.68,544 0.064,545 0.633,546 0.084,547 0.42,548 0.255,549 2.5,551 1.556,552 1.201,553 0.546,554 0.309,555 0.061,556 0.028,559 1316,560 3807,561 2.2,562 36.4,564 4,566 2,567 2,572 1.513,573 2.1,574 2.521,575 0.477,579 1,582 34.054,583 1.548,584 3.118,585 3.914,586 4.459,587 4.459,588 4.459,589 1.924,590 3.379,591 3.785,592 2.511,593 228.496,594 6.326,595 1720.64,597 1,600 98.107,601 1.264,602 3.757,603 0.156,605 0.068,606 0.057,607 0.036,608 0.031,609 0.012,610 0.028,613 0.388,614 1,615 1,616 0.544,617 51.019,618 -0.174,619 0.026,620 -0.004,621 0.126,622 -0.193,623 0.097,624 -0.078,625 -0.123,626 -0.045,627 -0.084,628 0.003,629 -0.061,630 -0.101,631 -0.017,632 -0.189,633 -0.108,634 -0.119,635 -0.156,636 -0.088,637 -0.118,638 -0.12,639 -0.14,640 -0.075,641 -0.133,642 0.248,643 -0.163,644 0.106,645 -0.166,646 0.183,647 -0.078,648 -0.253,649 -0.123,650 -0.155,651 -0.114,652 -0.177,653 -0.114,654 0.186,655 0.339,656 0.128,657 0.371,658 -0.007,659 0.252,660 0.095,661 0.87,662 0.951,663 1.08,664 0.221,665 1.174,666 1.379,667 3.379,668 0.929,669 5.837,670 1.008,671 1.111,672 0.737,673 0.544,674 0.716,675 2.833,676 3.178,677 3.497,678 3.829,679 4.078,680 4.078,681 4.159,682 4.22,683 3.85,684 3.638,685 3.341,686 0.697,687 184.21,688 2.833,689 4.369,690 5.242,691 6.142,692 7.038,693 7.945,694 8.848,695 9.757,696 10.663,697 11.572,698 9.1,706 1,708 1,714 4,715 6,716 1,717 1,720 1,722 15,738 1,741 22,743 15,744 1,745 16,747 24,748 11,749 11,750 3,751 3,756 3,757 6,772 11,790 1,793 8,794 2,795 2,796 3,802 2,808 0.333,809 1,822 1,824 1,828 1,829 2,832 2,859 1,868 14,875 1,893 4.5,895 1,901 6.667,902 3.9,903 3,904 1.218,907 3.238,908 1.519,909 1.043,910 1.449,911 9.48,912 3.199,913 3.937,914 4.67,915 5.411,916 6.055,917 6.448,918 6.934,919 7.393,920 7.403,921 7.601,922 0.75,923 21,924 5.124,925 0.002,926 2.233,927 0.026,929 7.774,931 9.734,932 0.001,933 8.199,936 2.274,937 31.833,938 0.005,941 70.627,942 65.434,943 33.571,945 42.683,948 65.434,949 113.31,950 33.571,953 37.905,954 83.011,955 40.026,956 4.288,957 47.084,959 70.627,960 99.005,961 42.683,964 70.627,965 42.683,968 34.88,969 47.339,970 16.786,972 70.627,973 76.254,974 65.434,977 70.627,978 9.434,979 56,980 16.786,981 59.469,982 70.627,983 76.254,984 65.434,986 0.585,987 0.347,988 0.203,989 0.12,990 14,991 5,994 2,995 1.308,996 2.672,997 96.868,998 0.308,999 13,1000 53.303,1005 7.679,1006 2.642,1007 1.074,1008 4.132,1009 59.469,1010 10.767,1011 4.037,1012 3.232,1015 0.287,1017 59.469,1018 212.315,1019 23.5,1031 22.182,1032 24.452,1034 0.347,1035 0.699,1036 0.878,1037 1,1038 1,1039 1,1040 4.404,1041 -0.356,1042 5.231,1043 1.043,1044 3.85,1045 4.62,1047 6.075,1048 3.79,1049 5.658,1050 -0.696,1051 6.801,1052 -0.854,1053 3.434,1054 4.559,1056 7.018,1057 3.353,1058 6.997,1059 -1,1060 8.474,1061 -1.845,1062 5.46,1063 7.035,1065 10.169,1066 5.357,1067 8.38,1068 -1,1069 10.21,1070 -2.538,1071 5.889,1072 7.853,1074 11.998,1075 5.774,1076 9.797,1077 -1.385,1078 11.986,1079 -2.873,1080 7.393,1081 9.781,1083 14.66,1084 7.26,1085 11.242,1086 -1.863,1087 13.792,1088 -3.626,1089 8.23,1090 11.02,1092 16.849,1093 8.086,1094 12.709,1095 -1.907,1096 15.62,1097 -5.235,1098 9.522,1099 12.725,1101 19.345,1102 9.36,1103 3.209,1104 -2,1105 17.465,1106 -5.674,1107 10.547,1108 14.156,1110 21.672,1111 10.372,1112 2.425,1113 11.112,1114 19.324,1115 -6.329,1116 11.756,1117 15.774,1119 24.111,1120 11.564,1121 2,1122 7.271,1123 21.193,1124 4.805,1125 12.862,1126 17.287,1128 26.489,1129 12.655,1130 1.748,1131 5.766,1132 23.07,1133 3.527,1134 14.041,1135 18.873,1137 28.908,1138 13.817,1139 1.393,1140 5.181,1141 24.954,1142 2.836,1143 15.181,1144 20.419,1146 31.305,1147 14.941,1148 1,1149 3.063,1150 26.844,1151 2.602,1152 16.35,1153 21.993,1155 33.717,1156 16.092,1157 0.432,1158 2.541,1159 28.737,1160 2.085,1161 17.505,1162 23.553,1164 36.121,1165 17.23,1166 1294,1167 2256,1168 11.038,1169 15.75,1170 24.567,1171 24.399,1172 24.955,1173 24.437,1174 24.415,1175 35.97,1177 71.953,1178 23.586,1179 5.207,1180 5.218,1181 6.44,1182 5.228,1183 5.209,1184 7.805,1186 18.113,1187 5.152,1188 4.088,1189 1.535,1190 1.525,1191 1.56,1192 1.527,1193 1.526,1194 2.248,1196 4.497,1197 1.474,1198 4.204,1199 4.234,1200 4.174,1201 4.12,1202 6.471,1203 4.13,1204 3.659,1205 3.694,1206 3.598,1207 3.552,1208 5.072,1209 3.558,1210 3.209,1211 3.272,1212 3.125,1213 2.998,1214 4.592,1215 3.019,1216 2.945,1217 3.002,1218 2.851,1219 2.82,1220 4.013,1221 2.82,1222 2.798,1223 2.852,1224 2.659,1225 2.647,1226 3.844,1227 2.642,1228 2.372,1229 2.45,1230 2.19,1231 2.088,1232 3.499,1233 2.096,1234 2.204,1235 2.302,1236 2.013,1237 1.832,1238 3.012,1239 1.869,1240 1.937,1241 2.069,1242 1.626,1243 1.474,1244 2.743,1245 1.5,1246 0.294,1247 0.201,1248 0.422,1249 0.262,1250 0.201,1251 4.707,1252 0.3,1253 3.218,1255 6.759,1256 0.694,1257 4.192,1258 0.197,1259 3.209,1260 4.805,1262 11.112,1263 3.152,1264 1.964,1265 1.948,1266 2.033,1267 2.032,1268 1.186,1269 2.033,1270 1.821,1271 1.78,1272 1.914,1273 1.985,1274 0.97,1275 1.967,1276 1.138,1277 1.086,1278 1.32,1279 1.393,1280 0.344,1281 1.372,1282 0.935,1283 0.882,1284 1.154,1285 1.102,1286 0.206,1287 1.119,1288 0.756,1289 0.715,1290 0.987,1291 0.992,1292 0.055,1293 0.984,1294 0.548,1295 0.456,1296 0.857,1297 0.837,1299 0.861,1300 0.053,1302 0.581,1303 0.563,1305 0.578,1308 0.456,1309 0.266,1311 0.342,1312 3.497,1314 4.828,1315 2.398,1316 6.372,1317 4.844,1318 8.011,1319 7.05,1320 9.698,1327 9.379,1340 15.338,1341 34.054,1342 68.598,1343 86.107,1344 98.107,1345 98.107,1346 98.107,1347 13.185,1348 6.242,1349 48.91,1350 48.91,1351 17,1352 12.089,1353 4,1354 3.087,1355 18.061,1356 29,1357 24,1358 0.346,1359 94.126,1360 144.03,1361 221.429,1362 3356,1364 9.544,1365 0.682,1366 0.526,1367 9.544,1368 7.359,1369 6.843,1370 0.428,1371 0.274,1372 4.339,1373 6.636,1374 4.261,1375 3.52,1376 6.843,1377 4.389,1378 6.286,1379 0.273,1380 0.142,1381 6.286,1382 3.276,1383 5.434,1384 0.17,1385 0.074,1386 5.434,1387 2.384,1388 4.786,1389 0.106,1390 0.039,1391 4.786,1392 1.738,1393 4.153,1394 0.072,1395 0.02,1396 4.153,1397 1.188,1398 0.494,1399 42.546,1400 0.301,1401 13.672,1402 1.099,1403 78,1404 214.128,1405 83.545,1406 213.632,1407 298.77,1408 200,1409 94,1410 227.397,1411 99.519,1412 232.973,1413 340.66,1414 220,1415 5}
{0 CHEMBL376012,1 1.514,2 5.467,3 2.188,4 4.787,5 57.601,6 7.93,7 0.882,8 3.362,9 3.467,10 2.99,11 2.966,12 4.543,13 2.957,14 3.821,15 3.961,16 3.375,17 3.356,18 4.963,19 3.336,20 4.014,21 4.179,22 3.377,23 3.43,24 5.148,25 3.387,26 4.03,27 4.234,28 3.147,29 3.344,30 5.047,31 3.255,32 3.889,33 4.137,34 2.819,35 3.071,36 4.89,37 2.936,38 3.559,39 3.799,40 2.389,41 2.652,42 4.633,43 2.53,44 3.236,45 3.545,46 1.628,47 2.052,48 4.258,49 1.83,50 2.418,51 2.737,52 0.441,53 1.052,54 3.367,55 0.865,56 0.033,57 0.36,58 4.546,59 2.11,60 6.369,61 2.514,62 0.028,63 0.576,64 7.731,65 3.509,66 7.554,67 4.459,68 0.127,69 0.694,70 10.231,71 4.1,72 17.124,73 5.082,74 0.109,75 0.685,76 11.18,77 4.366,78 14.225,79 5.683,80 0.111,81 0.547,82 10.922,83 4.389,84 15.306,85 6.1,86 0.095,87 0.391,88 7.92,89 2.837,90 16.676,91 3.689,92 0.12,93 0.256,94 6.72,95 2.271,96 17.6,97 3.23,98 0.087,99 0.097,100 3.309,101 0.867,102 13.32,103 1.063,104 5,105 25,106 0.296,107 0.687,108 0.794,109 0.872,110 0.872,111 0.872,112 2.799,113 0.85,114 -2.25,115 -2.29,116 -2.26,121 48,122 1,144 4,145 2,146 1,147 1,148 1,154 2,176 4,180 2,185 5,187 4,192 1,195 1,197 6,200 5,206 1,211 1,214 4,219 2,223 1,224 1,227 3,232 1,239 1,247 1,249 1,281 159,282 10.154,283 10.154,284 10.154,285 10.154,286 10.154,287 8.395,288 4.582,289 5.843,290 10.315,291 8.393,292 8.393,293 8.393,294 8.393,295 8.393,296 5.766,297 2.633,298 2.778,299 8.667,300 3.13,301 1.135,302 0.59,303 0.19,304 0.19,305 0.19,306 3.471,311 1,312 1,313 179,314 1.732,317 17.239,318 50.198,321 71.032,325 0.898,326 10.958,329 1,330 0.67,331 0.83,332 0.6,334 1,335 1,336 0.73,337 32,338 82,339 4.747,340 3.283,341 6.849,342 4.238,343 3.258,344 4.849,346 11.41,347 3.194,348 4.019,349 2.715,350 5.93,351 3.546,352 2.575,353 3.695,355 8.156,356 2.498,357 3.507,358 2.347,359 5.119,360 3.065,361 2.113,362 2.894,364 5.842,365 2.007,366 3.37,367 1.922,368 4.957,369 2.862,370 1.888,371 2.788,373 5.759,374 1.834,375 2.905,376 1.439,377 4.311,378 2.359,379 1.414,380 2.103,382 3.743,383 1.333,384 2.665,385 1.259,386 3.829,387 2.188,388 1.199,389 1.741,391 3.026,392 1.184,393 2.041,394 0.681,395 3.202,396 1.543,397 0.589,398 0.841,400 1.432,401 0.56,402 1.179,403 0.108,404 2.476,405 0.769,406 -0.179,407 -0.23,409 -0.415,410 -0.168,411 0.952,412 -0.257,413 2.365,414 0.493,415 -0.461,416 -0.618,418 -1.125,419 -0.436,420 0.603,421 -0.796,422 2.254,423 0.126,424 -0.858,425 -1.233,427 -2.564,428 -0.839,429 0.439,430 -0.913,431 2.183,432 -0.05,433 -1,434 -1.419,436 -2.757,437 -0.947,438 -0.017,439 -1.172,440 1.703,441 -0.372,442 -1.331,443 -1.785,445 -3.462,446 -1.278,447 -0.077,448 -1.303,449 1.31,450 -0.47,451 -1.414,452 -1.971,454 -3.814,455 -1.339,456 -0.405,457 -1.87,458 1.249,459 -0.886,460 -1.882,461 -2.802,463 -5.671,464 -1.788,465 -0.427,466 -1.902,467 1.092,468 -0.975,469 -1.911,470 -2.852,472 -5.928,473 -1.874,474 7.133,475 0.476,476 0.418,477 0.028,478 22.25,479 1.483,480 12.5,481 0.833,482 9.75,483 0.65,484 8.326,485 0.555,486 15.067,487 0.603,488 12.625,489 0.842,490 4.432,491 0.295,492 2.822,493 0.188,494 0.117,496 0.421,501 1.002,502 1.035,503 0.757,504 0.818,505 0.997,506 0.762,507 0.699,508 1.153,509 0.682,510 0.929,511 0.542,512 0.82,513 1.115,514 1.011,515 1.043,516 0.968,517 1.025,518 0.984,519 1.004,520 1.074,521 1.196,522 1.122,523 0.863,524 1.164,525 0.539,526 1.014,527 0.934,528 1.147,529 0.627,530 1.115,531 1.396,532 1.083,533 1.266,534 1.171,535 1.511,536 1.198,537 0.921,538 0.81,539 1.024,540 1.019,541 1.149,542 1.048,543 3.105,544 0.19,545 1.415,546 0.254,547 3.66,548 0.564,549 3,551 2,552 1.389,553 0.942,554 0.341,555 0.158,556 0.028,559 1529,560 4166,561 2.145,562 40,564 4,566 1,567 2,568 3,572 1.537,573 2,574 2.548,575 0.431,579 1,582 37.858,583 1.514,584 3.509,585 4.054,586 4.454,587 4.454,588 4.454,589 1.966,590 3.64,591 3.883,592 2.568,593 269.644,594 6.533,595 2136.18,597 1,600 116.096,601 1.429,602 3.837,603 0.176,605 0.08,606 0.058,607 0.052,608 0.028,609 0.023,610 0.014,613 0.431,614 1,615 1,616 0.648,617 56.382,618 -0.147,619 0.018,620 0.009,621 0.106,622 -0.191,623 0.084,624 -0.002,625 -0.127,626 0.128,627 0.006,628 0.07,629 0.072,630 -0.137,631 0.033,632 -0.172,633 -0.055,634 -0.129,635 -0.108,636 -0.169,637 -0.077,638 -0.278,639 -0.188,640 -0.134,641 -0.232,642 0.232,643 -0.144,644 0.085,645 -0.139,646 0.195,647 -0.067,648 -0.176,649 -0.174,650 -0.213,651 -0.208,652 -0.186,653 -0.213,654 0.311,656 0.186,657 0.008,658 0.257,659 0.062,660 -0.653,661 0.597,662 0.005,663 0.778,664 -0.748,665 0.527,666 1.377,667 3.448,668 0.867,669 6.72,670 1.003,671 1.115,672 1.018,673 1.037,674 0.7,675 2.89,676 3.258,677 3.584,678 3.912,679 4.174,680 4.22,681 4.29,682 4.369,683 4.078,684 3.784,685 3.479,686 0.675,687 198.24,688 2.89,689 4.443,690 5.323,691 6.232,692 7.136,693 8.052,694 8.964,695 9.88,696 10.795,697 11.712,698 8,706 1,708 1,714 4,715 5,716 1,717 1,720 2,722 15,738 1,741 25,743 15,744 1,745 17,747 27,748 12,749 11,750 3,751 3,756 3,757 6,763 1,772 11,773 1,790 1,793 10,794 2,795 2,796 3,802 2,808 0.333,809 1,822 1,824 1,828 1,829 2,832 2,859 1,864 1,868 15,875 1,893 4,895 1,901 7.5,902 4.817,903 3.194,904 1.431,907 3.25,908 1.509,909 1.027,910 1.657,911 9.637,912 3.239,913 3.994,914 4.732,915 5.469,916 6.124,917 6.551,918 7.025,919 7.496,920 7.566,921 7.71,922 0.75,923 24,924 5.502,925 -0.001,926 2.385,927 0.026,929 7.733,931 10.508,933 8.838,936 2.233,937 33.5,938 0.004,941 94.169,942 67.969,943 33.571,945 42.683,948 67.969,949 136.852,950 33.571,951 8.825,953 37.905,954 71.24,955 33.736,956 4.288,957 82.398,959 94.169,960 101.54,961 42.683,964 94.169,965 42.683,968 37.415,969 47.339,970 16.786,972 94.169,973 76.254,974 67.969,977 94.169,978 12.191,979 55.778,980 16.786,981 59.469,982 94.169,983 76.254,984 67.969,986 0.594,987 0.355,988 0.202,989 0.119,990 15,991 6,994 2,995 1.308,996 2.713,997 107.685,998 0.308,999 13,1000 58.603,1005 8.594,1006 2.892,1007 1.176,1008 4.209,1009 59.469,1010 9.077,1011 4.231,1012 3.3,1015 1.265,1017 59.469,1018 238.392,1019 24.5,1031 25.065,1032 27.867,1034 0.326,1035 0.756,1036 0.873,1037 0.959,1038 0.959,1039 0.959,1040 4.463,1041 -0.179,1042 5.333,1043 1.432,1044 3.932,1045 4.677,1047 6.201,1048 3.872,1049 5.732,1050 -0.461,1051 6.925,1052 -0.415,1053 3.611,1054 4.691,1056 7.195,1057 3.526,1058 7.083,1059 -0.858,1060 8.617,1061 -1.125,1062 5.572,1063 7.108,1065 10.345,1066 5.467,1067 8.477,1068 -1,1069 10.369,1070 -2.564,1071 6.066,1072 7.971,1074 12.196,1075 5.942,1076 9.904,1077 -1.331,1078 12.159,1079 -2.757,1080 7.533,1081 9.868,1083 14.872,1084 7.391,1085 11.357,1086 -1.414,1087 13.977,1088 -3.462,1089 8.408,1090 11.13,1092 17.076,1093 8.249,1094 12.83,1095 -1.882,1096 15.815,1097 -3.814,1098 9.685,1099 12.824,1101 19.592,1102 9.508,1103 3.258,1104 -1.911,1105 17.67,1106 -5.671,1107 10.731,1108 14.268,1110 21.936,1111 10.538,1112 2.575,1113 11.41,1114 19.537,1115 -5.928,1116 11.939,1117 15.884,1119 24.397,1120 11.728,1121 2.113,1122 8.156,1123 21.414,1124 4.849,1125 13.06,1126 17.406,1128 26.795,1129 12.831,1130 1.888,1131 5.842,1132 23.299,1133 3.695,1134 14.245,1135 18.995,1137 29.238,1138 13.998,1139 1.414,1140 5.759,1141 25.191,1142 2.894,1143 15.398,1144 20.549,1146 31.657,1147 15.133,1148 1.199,1149 3.743,1150 27.089,1151 2.788,1152 16.577,1153 22.129,1155 34.094,1156 16.292,1157 0.589,1158 3.026,1159 28.99,1160 2.103,1161 17.744,1162 23.697,1164 36.522,1165 17.441,1166 1521,1167 2571,1168 11.444,1169 17.512,1170 26.331,1171 26.058,1172 27.219,1173 26.097,1174 26.071,1175 37.821,1177 78.734,1178 25.218,1179 5.247,1180 5.283,1181 6.377,1182 5.275,1183 5.258,1184 7.849,1186 18.698,1187 5.194,1188 6.021,1189 1.549,1190 1.533,1191 1.601,1192 1.535,1193 1.534,1194 2.225,1196 4.631,1197 1.483,1198 4.21,1199 4.24,1200 4.182,1201 4.128,1202 6.471,1203 4.138,1204 3.687,1205 3.723,1206 3.626,1207 3.583,1208 5.058,1209 3.588,1210 3.209,1211 3.272,1212 3.127,1213 3.059,1214 4.59,1215 3.042,1216 3.19,1217 3.267,1218 3.022,1219 2.986,1220 4.02,1221 3.009,1222 2.879,1223 2.942,1224 2.74,1225 2.75,1226 3.92,1227 2.74,1228 2.554,1229 2.624,1230 2.359,1231 2.278,1232 3.657,1233 2.279,1234 2.292,1235 2.383,1236 2.127,1237 2.061,1238 3.279,1239 2.066,1240 2.132,1241 2.216,1242 1.905,1243 1.723,1244 2.895,1245 1.762,1246 0.279,1247 0.193,1248 0.403,1249 0.249,1250 0.192,1251 4.747,1252 0.285,1253 3.283,1255 6.849,1256 0.671,1257 4.238,1258 0.188,1259 3.258,1260 4.849,1262 11.41,1263 3.194,1264 1.969,1265 1.953,1266 2.039,1267 2.039,1268 1.198,1269 2.04,1270 1.845,1271 1.806,1272 1.944,1273 2.001,1274 1.029,1275 1.987,1276 1.223,1277 1.158,1278 1.54,1279 1.417,1280 0.61,1281 1.464,1282 1.1,1283 1.03,1284 1.296,1285 1.387,1286 0.308,1287 1.364,1288 0.887,1289 0.835,1290 1.116,1291 1.063,1292 0.184,1293 1.079,1294 0.686,1295 0.626,1296 0.93,1297 0.962,1299 0.954,1300 0.254,1301 0.152,1302 0.615,1303 0.588,1305 0.603,1306 0.03,1308 0.545,1309 0.504,1311 0.528,1312 3.555,1314 4.905,1315 2.398,1316 6.463,1317 4.844,1318 8.117,1319 7.066,1320 9.82,1322 1.97,1327 9.448,1340 16.865,1341 37.858,1342 87.732,1343 101.342,1344 111.342,1345 111.342,1346 111.342,1347 15.255,1348 6.387,1349 48.91,1350 48.91,1351 17,1352 12.223,1353 4,1354 3.087,1355 19.799,1356 33,1357 27,1358 0.339,1359 103.719,1360 161.33,1361 244.834,1362 3979,1364 10.414,1365 0.694,1366 0.552,1367 10.414,1368 8.281,1369 7.254,1370 0.427,1371 0.283,1372 4.767,1373 7.049,1374 4.623,1375 3.837,1376 7.254,1377 4.815,1378 6.814,1379 0.273,1380 0.147,1381 6.814,1382 3.674,1383 5.913,1384 0.169,1385 0.077,1386 5.913,1387 2.694,1388 5.119,1389 0.104,1390 0.04,1391 5.119,1392 1.947,1393 4.412,1394 0.069,1395 0.021,1396 4.412,1397 1.347,1398 0.486,1399 44.964,1400 0.296,1401 14.563,1402 1.078,1403 84,1404 222.128,1405 89.878,1406 221.949,1407 312.68,1408 208,1409 102,1410 240.749,1411 107.852,1412 246.504,1413 361.8,1414 233,1415 5}
{0 CHEMBL376186,1 1.359,2 16.853,3 6.665,4 44.42,5 135.687,6 6.86,7 0.486,8 4.275,9 4.384,10 3.775,11 3.82,12 5.302,13 3.784,14 4.832,15 5.007,16 4.084,17 4.191,18 5.787,19 4.132,20 5.081,21 5.287,22 4.181,23 4.328,24 6.019,25 4.245,26 5.164,27 5.397,28 4.101,29 4.309,30 6.123,31 4.198,32 5.111,33 5.357,34 3.936,35 4.273,36 5.956,37 4.132,38 5.112,39 5.38,40 3.798,41 4.211,42 5.895,43 4.043,44 5.01,45 5.279,46 3.653,47 4.114,48 5.725,49 3.933,50 4.953,51 5.236,52 3.565,53 4.012,54 5.668,55 3.832,56 0.032,57 0.867,58 14.907,59 6.826,60 9.347,61 8.865,62 0.228,63 1.432,64 27.95,65 10.982,66 24.576,67 14.585,68 0.282,69 1.751,70 36.645,71 14.294,72 37.913,73 19.144,74 0.674,75 1.846,76 41.155,77 15.005,78 67.839,79 20.501,80 0.344,81 1.792,82 38.385,83 14.675,84 46.995,85 20.373,86 0.503,87 1.754,88 39.149,89 14.536,90 52.943,91 20.447,92 0.295,93 1.583,94 34.936,95 13.581,96 34.682,97 19.084,98 0.407,99 1.459,100 33.675,101 12.547,102 39.747,103 17.654,104 11,105 49,106 0.215,107 0.492,108 0.699,109 0.833,110 0.895,111 0.899,112 3.559,113 0.977,114 -5.13,115 -5.03,116 -4.71,121 43.3,123 5,126 2,127 3,144 11,145 3,146 4,159 1,176 14,180 13,187 15,192 11,200 9,205 3,206 12,214 10,219 4,227 11,231 1,232 6,239 12,244 4,251 10,255 1,256 4,264 11,269 3,277 10,281 2192,282 23.474,283 23.474,284 23.474,285 23.474,286 23.474,287 21.218,288 24.626,289 14.352,290 23.973,291 18.248,292 18.248,293 18.248,294 18.248,295 18.248,296 14.769,297 31.313,298 6.793,299 18.952,300 4.707,301 2.953,302 1.646,303 0.803,304 0.411,305 0.381,306 4.26,312 1,313 1244,314 4.123,318 411.681,322 307.701,325 2.526,326 26.266,329 1,330 0.67,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.83,337 72.5,338 573,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 0.916,346 11.061,347 3.18,348 4.204,349 3.177,350 6.153,351 3.833,352 2.867,353 3.805,354 0.86,355 9.086,356 2.768,357 4.048,358 2.995,359 6.011,360 3.613,361 2.642,362 3.676,363 0.86,364 8.529,365 2.563,366 3.617,367 2.82,368 5.407,369 3.233,370 2.292,371 2.964,372 0.86,373 6.913,374 2.172,375 3.342,376 2.654,377 5.124,378 3.214,379 2.27,380 2.504,381 0.172,382 6.065,383 2.117,384 3.309,385 2.495,386 5.04,387 2.956,388 2.016,389 2.387,391 6.04,392 1.877,393 2.917,394 1.953,395 4.282,396 2.805,397 1.818,398 2.087,400 4.003,401 1.786,402 2.908,403 1.855,404 4.125,405 2.502,406 1.549,407 2.082,409 3.658,410 1.473,411 2.872,412 1.668,413 3.857,414 2.45,415 1.466,416 1.946,418 3.384,419 1.435,420 2.778,421 1.552,422 3.715,423 2.427,424 1.434,425 1.819,427 3.085,428 1.42,429 2.714,430 1.472,431 3.623,432 2.311,433 1.336,434 1.8,436 3.036,437 1.297,438 2.465,439 1.37,440 3.523,441 2.242,442 1.256,443 1.438,445 2.842,446 1.236,447 2.378,448 1.298,449 3.462,450 1.911,451 0.914,452 1.268,454 2.094,455 0.902,456 1.905,457 1.047,458 3.102,459 1.771,460 0.782,461 0.87,463 1.732,464 0.768,465 1.706,466 0.94,467 2.911,468 1.426,469 0.528,470 0.607,472 0.903,473 0.468,474 16.233,475 0.477,476 0.606,477 0.018,478 42,479 1.235,480 21,481 0.618,482 21,483 0.618,484 30.565,485 0.899,486 37.167,487 0.555,488 30.952,489 0.91,490 8.217,491 0.242,492 8.435,493 0.248,494 0.082,496 0.271,501 0.786,502 1.277,503 0.85,504 1.172,505 0.615,506 1.042,507 1.177,508 1.015,509 0.975,510 0.986,511 0.733,512 0.947,513 1.117,514 1.087,515 0.938,516 1.053,517 0.842,518 0.983,519 1.089,520 0.957,521 0.983,522 0.94,523 1.074,524 0.946,525 0.949,526 1.049,527 1.035,528 1.039,529 1.095,530 1.045,531 0.893,532 0.908,533 1.021,534 0.938,535 0.645,536 0.983,537 0.781,538 1.027,539 1.017,540 1.057,541 0.571,542 1.068,543 0.902,544 0.825,545 0.952,546 0.868,547 0.859,548 0.911,549 5,550 0.132,551 3.111,552 2,553 1.933,554 0.757,555 0.463,556 0.24,557 0.18,558 0.123,559 21995,560 51371,561 2.095,562 49.3,563 6,564 23,569 4,572 1.748,573 2,574 3.979,575 -0.846,582 91.082,583 1.359,584 3.113,585 4.42,586 5.263,587 5.655,588 5.685,589 3.375,590 4.911,591 5.065,592 4.225,593 2370.23,594 8.807,595 41844.4,600 406.428,601 1.223,602 5.037,603 0.135,604 0.006,605 0.063,606 0.038,607 0.042,608 0.019,609 0.014,610 0.009,611 0.007,612 0.005,613 0.338,614 0.33,615 0.88,616 0.608,617 190.994,618 0.015,619 -0.133,620 0.068,621 -0.073,622 0.011,623 -0.008,624 -0.094,625 0.075,626 0.005,627 0.028,628 0.018,629 0.035,630 -0.03,631 -0.073,632 0.05,633 -0.051,634 0.082,635 0.002,636 0.11,637 0.028,638 0.031,639 0.027,640 0.139,641 0.019,642 -0.062,643 -0.057,644 -0.059,645 -0.059,646 -0.059,647 -0.058,648 0.005,649 0.059,650 -0.035,651 0.024,652 0.029,653 -0.004,654 -0.024,655 -0.075,656 -0.052,657 -0.079,658 -0.023,659 -0.071,660 -0.009,661 0.108,662 0.038,663 0.09,664 -0.043,665 0.072,666 1.669,667 5.638,668 0.588,669 42.997,670 0.993,671 1.119,672 3.9,673 15.212,674 0.657,675 3.638,676 3.912,677 4.174,678 4.419,679 4.644,680 4.682,681 4.762,682 4.86,683 4.927,684 4.836,685 10.122,686 0.617,687 459.63,688 3.638,689 5.153,690 5.989,691 6.847,692 7.702,693 8.571,694 9.437,695 10.313,696 11.185,697 12.067,698 1.5,701 1,715 11,720 7,722 18,727 1,739 3,741 67,743 19,744 3,745 37,747 70,748 29,749 18,750 7,751 11,752 1,756 4,757 7,770 5,772 19,773 10,777 1,782 1,786 1,793 33,794 5,796 5,802 1,808 0.5,809 4,829 4,833 2,855 1,859 2,864 2,868 34,876 8,878 3,881 1,893 6,896 1,898 3,901 17,902 12.533,903 7.722,904 4.24,907 3.315,908 1.413,909 0.966,910 8.617,911 11.333,912 3.871,913 4.401,914 4.954,915 5.489,916 6.009,917 6.183,918 6.51,919 6.846,920 7.165,921 7.331,922 0.909,923 52,924 12.614,926 5.227,927 0.026,929 7.583,931 24.61,933 19.932,936 2.083,937 70.833,941 388.446,942 180.659,943 3.124,945 58.145,948 180.659,949 446.591,950 3.124,951 19.279,952 21.476,953 104.239,954 30.278,955 66.654,957 388.446,959 388.446,960 183.783,961 58.145,964 341.362,965 105.229,968 24.601,969 159.182,972 388.446,973 61.269,974 180.659,977 388.446,978 57.14,979 126.642,981 58.145,982 388.446,983 61.269,984 180.659,986 0.563,987 0.331,988 0.183,989 0.099,990 21,991 9,992 0.171,993 12,994 2,995 1.2,996 4.774,997 289.876,998 0.2,999 20,1000 172.974,1005 24.311,1006 12.051,1007 6.411,1009 61.269,1010 21.01,1015 5.284,1018 630.374,1019 47,1024 12.638,1028 -0.003,1031 66.549,1032 74.979,1034 0.224,1035 0.513,1036 0.729,1037 0.868,1038 0.932,1039 0.937,1040 5.085,1041 1.549,1042 5.938,1043 4.003,1044 4.595,1045 5.088,1046 1.938,1047 6.711,1048 4.527,1049 6.248,1050 1.466,1051 7.467,1052 3.658,1053 4.007,1054 4.732,1055 0.325,1056 7.551,1057 3.907,1058 7.526,1059 1.434,1060 9.103,1061 3.384,1062 6.138,1063 7.204,1064 1.656,1065 10.68,1066 6.015,1067 8.844,1068 1.336,1069 10.807,1070 3.085,1071 6.431,1072 7.722,1073 0.393,1074 12.402,1075 6.29,1076 10.2,1077 1.256,1078 12.555,1079 3.036,1080 7.975,1081 9.636,1082 1.418,1083 15.04,1084 7.817,1085 11.584,1086 0.914,1087 14.335,1088 2.842,1089 8.705,1090 10.574,1091 0.384,1092 17.126,1093 8.539,1094 12.989,1095 0.782,1096 16.137,1097 2.094,1098 10.002,1099 12.238,1100 1.207,1101 19.599,1102 9.822,1103 3.215,1104 0.528,1105 17.957,1106 1.732,1107 10.949,1108 13.391,1109 0.351,1110 21.847,1111 10.765,1112 2.867,1113 11.061,1114 19.789,1115 0.903,1116 12.144,1117 14.931,1118 1.019,1119 24.264,1120 11.95,1121 2.642,1122 9.086,1123 21.632,1124 4.198,1125 13.196,1126 16.199,1127 0.312,1128 26.587,1129 12.998,1130 2.292,1131 8.529,1132 23.484,1133 3.805,1134 14.355,1135 17.676,1136 0.852,1137 28.986,1138 14.148,1139 2.27,1140 6.913,1141 25.343,1142 3.676,1143 15.457,1144 19.007,1145 0.273,1146 31.345,1147 15.245,1148 2.016,1149 6.065,1150 27.208,1151 2.964,1152 16.605,1153 20.452,1154 0.706,1155 33.74,1156 16.386,1157 1.818,1158 6.04,1159 29.078,1160 2.504,1161 17.732,1162 21.819,1163 0.236,1164 36.119,1165 17.507,1166 20665,1167 31850,1168 25.137,1169 44.006,1170 53.754,1171 55.305,1172 55.119,1173 53.34,1174 53.302,1175 67.46,1176 7.338,1177 145.974,1178 51.423,1179 5.517,1180 5.692,1181 6.664,1182 5.3,1183 5.215,1184 7.198,1185 1.776,1186 18.6,1187 5.18,1188 14.221,1189 1.453,1190 1.495,1191 1.49,1192 1.442,1193 1.441,1194 1.823,1195 0.198,1196 3.945,1197 1.39,1198 4.049,1199 4.057,1200 4.014,1201 3.966,1202 7.427,1203 3.975,1204 3.939,1205 3.97,1206 3.874,1207 3.857,1208 4.948,1209 3.857,1210 3.794,1211 3.838,1212 3.717,1213 3.713,1214 4.858,1215 3.71,1216 3.747,1217 3.787,1218 3.608,1219 3.638,1220 4.708,1221 3.621,1222 3.584,1223 3.657,1224 3.434,1225 3.407,1226 4.394,1227 3.402,1228 3.371,1229 3.443,1230 3.23,1231 3.177,1232 4.377,1233 3.176,1234 3.249,1235 3.315,1236 3.105,1237 3.055,1238 4.265,1239 3.065,1240 3.208,1241 3.229,1242 3.062,1243 2.969,1244 4.112,1245 2.978,1246 0.123,1247 0.1,1248 0.183,1249 0.114,1250 0.087,1251 4.553,1252 0.113,1253 3.692,1254 0.025,1255 6.774,1256 0.299,1257 4.203,1258 0.086,1259 3.215,1260 4.198,1261 0.916,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.062,1267 2.084,1268 1.392,1269 2.074,1270 1.911,1271 1.885,1272 2.047,1273 2.027,1274 1.211,1275 2.034,1276 1.792,1277 1.757,1278 2.006,1279 1.941,1280 1.164,1281 1.966,1282 1.756,1283 1.707,1284 1.89,1285 1.861,1286 1.104,1287 1.872,1288 1.575,1289 1.504,1290 1.829,1291 1.776,1292 0.976,1293 1.798,1294 1.358,1295 1.282,1296 1.663,1297 1.592,1298 0.855,1299 1.62,1300 1.197,1301 1.129,1302 1.573,1303 1.512,1304 0.667,1305 1.532,1306 1.148,1307 1.122,1308 1.44,1309 1.362,1310 0.574,1311 1.379,1312 4.317,1314 5.602,1316 7.093,1318 8.689,1320 10.346,1322 3.886,1328 8.39,1330 17.279,1333 2.349,1340 41.309,1341 91.082,1342 208.603,1343 296.135,1344 352.654,1345 378.918,1346 380.918,1347 62.947,1348 8.018,1349 51.91,1350 51.91,1351 24,1352 12.604,1353 4.322,1354 3.459,1355 57.799,1356 215,1357 162,1358 0.127,1359 252.88,1360 447.88,1361 608.787,1362 44801,1364 23.753,1365 0.699,1366 0.591,1367 23.753,1368 20.088,1369 16.652,1370 0.45,1371 0.326,1372 11.89,1373 16.071,1374 11.566,1375 9.662,1376 16.652,1377 12.044,1378 14.159,1379 0.289,1380 0.179,1381 14.159,1382 8.751,1383 11.929,1384 0.186,1385 0.096,1386 11.929,1387 6.135,1388 9.937,1389 0.121,1390 0.052,1391 9.937,1392 4.279,1393 7.966,1394 0.077,1395 0.028,1396 7.966,1397 2.904,1398 0.215,1399 104.028,1400 0.199,1401 32.949,1402 0.31,1403 172,1404 480.587,1405 186.481,1406 455.261,1407 625.33,1408 430,1409 199,1410 456.67,1411 214.62,1412 462.767,1413 676.02,1414 434,1415 5.662}
{0 CHEMBL376228,1 1.875,2 4.25,3 1.335,4 1.782,5 43.499,6 11.349,7 0.462,8 2.953,9 3.012,10 2.851,11 2.623,12 4.301,13 2.641,14 3.403,15 3.467,16 3.282,17 2.998,18 4.85,19 3.008,20 3.598,21 3.691,22 3.37,23 2.989,24 5.297,25 2.99,26 3.367,27 3.475,28 3.216,29 2.672,30 5.031,31 2.662,32 2.92,33 3.046,34 2.323,35 1.84,36 4.714,37 1.854,38 1.729,39 1.923,40 0.295,41 0.509,42 3.135,43 0.491,56 0.104,57 0.206,58 0.535,59 1.075,60 13.755,61 0.881,62 0.188,63 0.318,64 0.817,65 1.835,66 24.313,67 1.651,68 0.371,69 0.357,70 4.858,71 2.671,72 62.762,73 2.408,74 0.314,75 0.261,76 5.662,77 2.296,78 41.745,79 2.023,80 0.288,81 0.151,82 6.418,83 1.661,84 44.131,85 1.196,86 0.104,87 0.042,88 1.741,89 0.516,90 21.7,91 0.343,104 10,105 19,106 0.42,107 0.736,108 0.83,109 0.897,110 0.897,111 0.897,112 2.604,113 0.858,114 -2.79,115 -2.8,116 -2.72,121 50,144 3,145 1,146 2,159 1,160 1,176 2,180 1,183 1,185 2,187 5,191 1,192 1,195 1,197 1,200 2,206 4,211 2,214 1,219 4,281 94,282 7.845,283 7.845,284 7.845,285 7.845,286 7.845,287 6.857,288 9.607,289 4.454,290 7.961,291 6.369,292 6.369,293 6.369,294 6.369,295 6.369,296 4.784,297 14.073,298 2.07,299 6.578,300 2.125,301 0.719,302 0.297,306 3.225,308 1,312 1,313 105,314 1.581,317 19.208,318 24.415,321 36.99,325 0.625,326 19.181,329 1,330 0.67,331 0.83,332 0.4,334 1,335 1,336 0.7,337 26.833,338 51,339 4.561,340 3.906,341 6.845,342 4.215,343 3.225,344 4.193,345 1.058,346 11.247,347 3.19,348 3.71,349 3.101,350 5.534,351 3.274,352 2.296,353 3.056,355 6.764,356 2.227,357 3.279,358 2.774,359 5.073,360 2.869,361 1.923,362 2.523,364 5.75,365 1.765,366 2.891,367 2.328,368 4.324,369 2.421,370 1.414,371 1.997,373 3.718,374 1.402,375 2.526,376 1.35,377 3.541,378 2.006,379 1.02,380 1.392,382 2.371,383 0.954,384 1.302,385 0.824,386 2.468,387 0.829,388 -0.233,389 -0.346,391 -0.555,392 -0.188,393 1.064,394 0.372,395 2.29,396 0.562,397 -0.284,398 -0.361,400 -0.648,401 -0.246,402 0.579,403 -0.137,404 2.254,405 0.102,406 -0.91,407 -1.23,409 -2.297,410 -0.888,411 0.101,412 -1.004,413 1.593,414 -0.296,415 -1.349,416 -1.789,418 -3.429,419 -1.122,420 -0.12,421 -1.026,422 1.294,423 -0.631,424 -1.414,425 -2,427 -3.878,428 -1.499,429 -0.5,430 -1.525,431 1.237,432 -0.785,433 -1.786,434 -2.213,436 -5.352,437 -1.747,438 -0.58,439 -1.801,440 1.084,441 -0.967,442 -1.902,443 -2.22,445 -6.698,446 -1.848,447 -0.815,448 -2,449 0.464,450 -1,451 -2,452 -3,453 -1.058,454 -6.995,455 -2,474 5.781,475 0.482,476 0.388,477 0.032,478 17.25,479 1.438,480 9.5,481 0.792,482 7.75,483 0.646,484 5.906,485 0.492,486 12.219,487 0.764,488 9.88,489 0.823,490 3.509,491 0.292,492 2.189,493 0.182,494 0.239,496 0.432,501 0.623,502 0.972,503 0.466,504 0.644,505 0.547,506 0.611,507 0.592,508 1.151,509 0.557,510 0.856,511 0.612,512 0.851,513 0.883,514 1.016,515 0.969,516 0.945,517 0.857,518 0.975,519 1.009,520 1.086,521 1.286,522 1.288,523 0.946,524 1.179,525 1.867,526 0.849,527 1.942,528 1.562,529 1.914,530 1.533,531 2.996,533 1.19,534 0.021,535 3.6,536 0.735,549 2.5,551 1.778,552 1.604,553 0.613,554 0.142,559 712,560 3373,561 1.991,562 25,564 3,567 1,572 1.466,573 1.8,574 2.22,575 -0.083,582 30,583 1.875,584 3.281,585 3.703,586 4,587 4,588 4,589 1.483,590 3.418,591 3.564,592 2.182,593 144.035,594 5.897,595 1020.16,600 64,601 1.555,602 3.478,603 0.192,605 0.094,606 0.089,607 0.051,608 0.036,613 0.462,614 1,615 1,616 0.799,617 40.159,618 -0.079,619 0.05,620 -0.017,621 0.072,622 -0.054,623 0.072,624 0.045,625 -0.177,626 0.005,627 -0.096,628 -0.011,629 -0.116,630 0.059,631 -0.083,632 -0.034,633 -0.008,634 0.088,635 -0.04,636 0.021,637 -0.195,638 0.035,639 -0.254,640 0.008,641 -0.129,642 -0.382,643 -0.005,644 -0.471,645 -0.376,646 -0.32,647 -0.34,648 -1.134,649 0.892,650 -0.141,651 1.404,652 -1.251,653 0.879,666 2.28,667 4.121,668 0.75,669 4.333,670 1.053,671 1.106,672 1.559,673 2.431,674 0.768,675 2.639,676 2.996,677 3.296,678 3.555,679 3.611,680 3.434,681 3.258,682 3.178,683 2.398,684 0.693,685 2.868,686 0.771,687 181.58,688 2.639,689 4.174,690 5.043,691 5.943,692 6.83,693 7.732,694 8.624,695 9.526,696 10.419,697 11.32,698 6.3,705 1,715 3,720 3,722 6,727 1,740 1,741 16,743 8,744 1,745 13,747 17,748 8,749 6,750 3,751 3,752 2,756 2,757 3,758 1,772 8,777 2,782 2,786 2,793 4,794 3,795 1,796 4,797 1,802 1,808 0.5,809 2,828 1,829 1,832 1,843 1,859 1,865 1,868 12,877 1,892 1,893 12.5,896 2,901 6.667,902 2.976,903 2.611,904 0.883,907 1.544,908 1.284,909 0.997,910 1.496,911 6.982,912 2.944,913 3.541,914 4.123,915 4.638,916 5.048,917 5.091,918 5.173,919 5.344,920 4.787,921 3.446,922 0.667,923 18,924 4.411,925 0.006,926 1.973,927 0.026,929 8.412,931 7.876,932 0.003,933 6.443,934 -0.002,936 2.912,937 34.944,938 0.004,941 35.313,942 47.71,943 18.011,944 39.149,945 50.29,948 47.71,949 124.752,950 18.011,952 18.011,953 28.429,954 60.128,955 9.443,957 35.313,958 39.149,959 35.313,960 65.721,961 50.29,962 39.149,964 35.313,965 50.29,968 18.011,969 47.71,970 39.149,972 35.313,973 68.301,974 86.858,977 35.313,978 19.281,979 28.429,980 18.011,981 89.438,982 35.313,983 68.301,984 86.858,986 0.598,987 0.37,988 0.201,989 0.097,990 11,991 5,994 1,995 1.222,996 2.319,997 73.587,998 0.222,999 9,1000 43.02,1005 7.466,1006 2.405,1007 0.987,1009 68.301,1010 4.905,1015 1.095,1017 18.011,1018 190.472,1019 18,1024 21.985,1028 -1.173,1031 16.847,1032 17.692,1034 0.469,1035 0.82,1036 0.926,1037 1,1038 1,1039 1,1040 4.182,1041 -0.91,1042 5.069,1043 -0.648,1044 3.664,1045 4.22,1046 1.176,1047 5.943,1048 3.61,1049 5.417,1050 -1.349,1051 6.678,1052 -2.297,1053 3.434,1054 4.182,1056 6.986,1057 3.349,1058 6.75,1059 -1.414,1060 8.391,1061 -3.429,1062 5.313,1063 6.422,1064 1.255,1065 10.128,1066 5.235,1067 8.122,1068 -1.786,1069 10.161,1070 -3.878,1071 5.889,1072 7.169,1074 12.015,1075 5.798,1076 9.526,1077 -1.902,1078 11.968,1079 -5.352,1080 7.307,1081 8.941,1082 1.338,1083 14.689,1084 7.216,1085 10.954,1086 -2,1087 13.801,1088 -6.698,1089 8.238,1090 10.05,1092 16.91,1093 8.139,1094 12.401,1096 15.654,1097 -6.995,1098 9.491,1099 11.636,1100 1.422,1101 19.422,1102 9.388,1103 3.225,1105 17.522,1107 10.568,1108 12.912,1110 21.769,1111 10.457,1112 2.296,1113 11.247,1114 19.401,1116 11.765,1117 14.418,1118 1.51,1119 24.223,1120 11.646,1121 1.923,1122 6.764,1123 21.29,1124 4.193,1125 12.898,1126 15.774,1128 26.617,1129 12.77,1130 1.414,1131 5.75,1132 23.186,1133 3.056,1134 14.077,1135 17.243,1136 1.599,1137 29.05,1138 13.94,1139 1.02,1140 3.718,1141 25.088,1142 2.523,1143 15.233,1144 18.638,1146 31.46,1147 15.086,1148 -0.233,1149 2.371,1150 26.995,1151 1.997,1152 16.405,1153 20.089,1154 1.69,1155 33.885,1156 16.248,1157 -0.284,1158 -0.555,1159 28.905,1160 1.392,1161 17.57,1162 21.502,1164 36.301,1165 17.403,1166 783,1167 1752,1168 8.266,1169 12.295,1170 20.089,1171 21.956,1172 21.405,1173 19.88,1174 19.756,1175 26.321,1176 2.117,1177 59.702,1178 19.075,1179 5.376,1180 5.906,1181 6.381,1182 5.215,1183 5.225,1184 7.193,1185 2.117,1186 18.242,1187 5.19,1188 5.972,1189 1.545,1190 1.689,1191 1.647,1192 1.529,1193 1.52,1194 2.025,1195 0.163,1196 4.592,1197 1.467,1198 4.001,1199 4.016,1200 4.072,1201 3.919,1202 7.499,1203 3.925,1204 3.44,1205 3.454,1206 3.543,1207 3.25,1208 7.352,1209 3.283,1210 2.957,1211 2.986,1212 3.233,1213 2.842,1214 4.911,1215 2.829,1216 2.605,1217 2.612,1218 2.643,1219 2.425,1220 4.364,1221 2.447,1222 2.516,1223 2.54,1224 2.542,1225 2.123,1226 3.88,1227 2.199,1228 1.919,1229 1.987,1230 2.056,1231 1.507,1232 3.155,1233 1.49,1234 1.516,1235 1.684,1236 1.631,1237 1.193,1238 2.963,1239 1.186,1240 1.43,1241 1.502,1242 0.875,1243 1.028,1244 2.121,1245 0.966,1246 0.351,1247 0.3,1248 0.527,1249 0.324,1250 0.248,1251 4.561,1252 0.323,1253 3.906,1254 0.081,1255 6.845,1256 0.865,1257 4.215,1258 0.245,1259 3.225,1260 4.193,1261 1.058,1262 11.247,1263 3.19,1264 1.87,1265 1.855,1266 1.939,1267 1.939,1268 1.072,1269 1.947,1270 1.366,1271 1.364,1272 1.412,1273 1.649,1274 0.325,1275 1.575,1276 0.945,1277 0.896,1278 1.124,1279 1.164,1280 0.201,1281 1.152,1282 0.752,1283 0.728,1284 0.927,1285 0.904,1287 0.935,1290 0.392,1291 0.395,1293 0.379,1296 0.207,1297 0.321,1299 0.234,1303 0.003,1305 0.081,1312 3.296,1314 4.635,1315 2.398,1316 6.18,1317 4.844,1318 7.819,1319 7.018,1320 9.505,1323 5.717,1329 2.415,1340 12.332,1341 30,1342 52.49,1343 59.245,1344 64,1345 64,1346 64,1347 19.55,1348 5.438,1349 49.93,1350 49.93,1351 11,1352 11.843,1353 3.17,1354 2.585,1355 16.916,1356 21,1357 16,1358 0.462,1359 81.205,1360 141.93,1361 189.9,1362 1084,1363 6.3,1364 8.715,1365 0.726,1366 0.557,1367 9.215,1368 6.682,1369 5.698,1370 0.438,1371 0.286,1372 3.327,1373 5.215,1374 3.245,1375 2.656,1376 5.987,1377 3.719,1378 5.318,1379 0.28,1380 0.15,1381 5.689,1382 2.853,1383 4.615,1384 0.178,1385 0.077,1386 4.952,1387 2.01,1388 3.846,1389 0.113,1390 0.042,1391 4.236,1392 1.412,1393 2.71,1394 0.075,1395 0.022,1396 2.951,1397 0.788,1398 0.636,1399 38.929,1400 0.348,1401 11.529,1402 1.562,1403 64,1404 248.007,1405 85.891,1406 266.138,1407 340.59,1408 244,1409 77,1410 216.389,1411 95.36,1412 227.655,1413 336.81,1414 214,1415 4}
{0 CHEMBL376290,1 1.825,2 4.692,3 1.821,4 3.316,5 48.54,6 10.295,7 0.429,8 3.093,9 3.168,10 2.916,11 2.743,12 4.379,13 2.744,14 3.574,15 3.679,16 3.358,17 3.129,18 4.93,19 3.123,20 3.747,21 3.837,22 3.399,23 3.156,24 5.372,25 3.139,26 3.691,27 3.863,28 3.182,29 2.988,30 4.995,31 2.929,32 3.513,33 3.681,34 2.994,35 2.573,36 5.087,37 2.493,38 2.805,39 2.988,40 1.808,41 1.349,42 4.531,43 1.33,56 0.084,57 0.248,58 1.498,59 1.456,60 10.707,61 1.424,62 0.179,63 0.391,64 4.112,65 2.645,66 24.539,67 2.896,68 0.335,69 0.429,70 6.819,71 3.232,72 56.404,73 3.129,74 0.281,75 0.423,76 6.98,77 3.17,78 40.026,79 3.218,80 0.346,81 0.278,82 11.929,83 3.2,84 46.052,85 3.37,86 0.339,87 0.112,88 7.345,89 1.528,90 63.138,91 0.88,104 17,105 21,106 0.393,107 0.793,108 0.838,109 0.861,110 0.861,111 0.861,112 2.673,113 0.885,114 -3.09,115 -3.09,116 -2.97,121 47.4,122 1,144 2,145 2,146 2,159 1,160 1,176 3,180 1,183 1,185 2,187 5,191 1,192 2,195 1,197 3,200 5,206 3,214 2,219 5,224 1,232 1,281 111,282 8.293,283 8.293,284 8.293,285 8.293,286 8.293,287 7.28,288 10.201,289 4.629,290 8.431,291 6.863,292 6.863,293 6.863,294 6.863,295 6.863,296 5.196,297 12.471,298 2.182,299 7.096,300 2.423,301 0.566,302 0.356,303 0.25,304 0.25,305 0.25,306 3.295,308 1,312 1,313 125,314 1.732,317 22.065,318 27.181,321 41.667,325 0.686,326 19.721,329 1,330 0.67,331 0.83,332 0.4,334 1,335 1,336 0.7,337 28.833,338 61,339 4.569,340 3.894,341 6.785,342 4.227,343 3.229,344 4.224,345 1.058,346 11.077,347 3.221,348 3.87,349 3.093,350 5.784,351 3.478,352 2.479,353 3.262,355 7.541,356 2.469,357 3.434,358 2.859,359 5.073,360 2.994,361 2.087,362 2.735,364 5.999,365 1.858,366 3.141,367 2.63,368 4.91,369 2.709,370 1.711,371 2.312,373 5.144,374 1.631,375 2.566,376 1.852,377 4.074,378 2.138,379 1.134,380 1.443,382 3.087,383 1.114,384 1.617,385 1.089,386 2.772,387 1.152,388 0.133,389 0.187,391 0.317,392 0.124,393 0.916,394 0.213,395 2.578,396 0.518,397 -0.472,398 -0.594,400 -1.188,401 -0.372,402 0.708,403 0.035,404 2.343,405 0.241,406 -0.669,407 -0.895,409 -1.691,410 -0.579,411 0.364,412 -0.217,413 1.757,414 -0.052,415 -1,416 -1.244,418 -2.557,419 -0.939,420 -0.055,421 -1.065,422 1.466,423 -0.359,424 -1.41,425 -1.91,427 -4.067,428 -1.398,429 -0.23,430 -1.197,431 1.266,432 -0.677,433 -1.516,434 -2,436 -4.197,437 -1.514,438 -0.5,439 -1.529,440 1.124,441 -0.794,442 -1.79,443 -2.228,445 -5.777,446 -1.747,447 -0.579,448 -1.817,449 1.067,450 -0.975,451 -1.917,452 -2.292,454 -6.435,455 -1.867,456 -0.821,457 -2,458 1,459 -1,460 -2,461 -3,462 -1.058,463 -7.254,464 -2,474 6.281,475 0.483,476 0.494,477 0.038,478 17.75,479 1.365,480 9.5,481 0.731,482 8.25,483 0.635,484 7.603,485 0.585,486 13.519,487 0.712,488 10.532,489 0.81,490 3.55,491 0.273,492 2.542,493 0.196,494 0.299,496 0.478,501 0.596,502 1.026,503 0.489,504 0.725,505 0.538,506 0.698,507 0.539,508 1.023,509 0.489,510 0.741,511 0.548,512 0.693,513 0.848,514 1.22,515 1.055,516 1.177,517 0.822,518 1.157,519 0.998,520 0.973,521 0.865,522 0.863,523 0.881,524 0.993,525 1.119,526 1.137,527 1.63,528 1.616,529 1.087,530 1.43,531 2.969,532 0.02,533 1.854,534 0.534,535 3.516,536 0.812,549 3.5,551 2,552 1.639,553 0.964,554 0.278,559 875,560 3900,561 1.948,562 31.6,563 3,564 2,567 1,572 1.493,573 1.733,574 2.33,575 -0.127,582 34.672,583 1.825,584 3.682,585 3.892,586 3.998,587 3.998,588 3.998,589 1.738,590 3.393,591 3.677,592 2.32,593 180.978,594 6.128,595 1335.98,597 1,600 80.711,601 1.526,602 3.574,603 0.25,605 0.095,606 0.082,607 0.069,608 0.035,613 0.531,614 1,615 1,616 0.808,617 45.459,618 -0.063,619 0.035,620 -0.009,621 0.055,622 -0.057,623 0.055,624 0.094,625 -0.013,626 0.141,627 0.108,628 0.052,629 0.165,630 0.066,631 -0.268,632 -0.213,633 -0.293,634 0.098,635 -0.325,636 -0.168,637 0.026,638 0.028,639 0.078,640 -0.094,641 0.007,642 0.063,643 -0.343,644 -0.101,645 -0.506,646 0.036,647 -0.293,648 -0.733,649 0.745,650 -0.297,651 0.716,652 -0.876,653 0.372,666 2.25,667 4.23,668 0.692,669 5.124,670 1.038,671 1.111,672 1.862,673 3.469,674 0.74,675 2.708,676 3.091,677 3.367,678 3.638,679 3.784,680 3.689,681 3.497,682 3.367,683 2.565,684 1.099,685 3.076,686 0.729,687 195.61,688 2.708,689 4.263,690 5.13,691 6.038,692 6.929,693 7.837,694 8.734,695 9.642,696 10.541,697 11.448,698 5.3,705 1,715 2,720 4,722 6,727 1,740 1,741 19,743 8,744 1,745 14,747 20,748 9,749 6,750 4,751 2,752 2,756 2,757 3,758 1,763 1,772 8,773 1,777 2,782 2,786 2,793 6,794 3,795 1,796 4,797 1,802 1,808 0.5,809 2,828 1,829 1,832 1,843 1,859 1,864 1,865 1,868 13,877 1,892 1,893 10.5,896 2,901 7.5,902 3.893,903 2.778,904 1.077,907 1.53,908 1.273,909 0.985,910 1.719,911 7.128,912 2.996,913 3.624,914 4.193,915 4.715,916 5.214,917 5.32,918 5.393,919 5.437,920 4.815,921 3.841,922 1,923 20,924 4.787,925 -0.003,926 2.12,927 0.026,929 8.316,931 8.65,932 -0.001,933 7.086,934 0.001,936 2.816,937 36.611,938 0.003,941 58.856,942 50.244,943 18.011,944 39.149,945 50.29,948 50.244,949 148.294,950 18.011,951 8.825,952 18.011,953 18.952,954 60.128,955 12.629,957 58.856,958 39.149,959 58.856,960 68.255,961 50.29,962 39.149,964 58.856,965 50.29,968 26.836,969 41.419,970 39.149,972 58.856,973 68.301,974 89.393,977 58.856,978 22.467,979 27.778,980 18.011,981 89.438,982 58.856,983 68.301,984 89.393,986 0.607,987 0.364,988 0.195,989 0.106,990 12,991 6,994 1,995 1.222,996 2.382,997 83.02,998 0.222,999 9,1000 48.106,1005 8.418,1006 2.655,1007 1.17,1009 68.301,1010 3.212,1015 2.234,1017 18.011,1018 216.549,1019 19,1024 22.221,1028 -1.096,1031 19.731,1032 21.107,1034 0.43,1035 0.867,1036 0.916,1037 0.941,1038 0.941,1039 0.941,1040 4.256,1041 -0.669,1042 5.176,1043 -1.188,1044 3.761,1045 4.304,1046 1.176,1047 6.052,1048 3.713,1049 5.51,1050 -1,1051 6.79,1052 -1.691,1053 3.611,1054 4.369,1056 7.06,1057 3.54,1058 6.856,1059 -1.41,1060 8.5,1061 -2.557,1062 5.425,1063 6.533,1064 1.255,1065 10.189,1066 5.365,1067 8.234,1068 -1.516,1069 10.26,1070 -4.067,1071 6.019,1072 7.325,1074 12,1075 5.965,1076 9.64,1077 -1.79,1078 12.053,1079 -4.197,1080 7.405,1081 9.057,1082 1.338,1083 14.675,1084 7.353,1085 11.066,1086 -1.917,1087 13.869,1088 -5.777,1089 8.33,1090 10.182,1092 16.834,1093 8.289,1094 12.51,1095 -2,1096 15.703,1097 -6.435,1098 9.567,1099 11.748,1100 1.422,1101 19.342,1102 9.524,1103 3.229,1105 17.552,1106 -7.254,1107 10.634,1108 13.032,1110 21.647,1111 10.598,1112 2.479,1113 11.077,1114 19.412,1116 11.821,1117 14.529,1118 1.51,1119 24.092,1120 11.783,1121 2.087,1122 7.541,1123 21.282,1124 4.224,1125 12.947,1126 15.89,1128 26.457,1129 12.912,1130 1.711,1131 5.999,1132 23.16,1133 3.262,1134 14.12,1135 17.356,1136 1.599,1137 28.877,1138 14.082,1139 1.134,1140 5.144,1141 25.044,1142 2.735,1143 15.272,1144 18.756,1146 31.265,1147 15.233,1148 0.133,1149 3.087,1150 26.934,1151 2.312,1152 16.441,1153 20.208,1154 1.69,1155 33.676,1156 16.401,1157 -0.472,1158 0.317,1159 28.827,1160 1.443,1161 17.604,1162 21.628,1164 36.074,1165 17.561,1166 963,1167 2082,1168 8.671,1169 14.057,1170 22.109,1171 24.114,1172 23.253,1173 21.738,1174 21.548,1175 28.328,1176 2.117,1177 66.33,1178 20.835,1179 5.39,1180 5.894,1181 5.785,1182 5.227,1183 5.229,1184 7.224,1185 2.117,1186 18.331,1187 5.221,1188 7.434,1189 1.579,1190 1.722,1191 1.661,1192 1.553,1193 1.539,1194 2.023,1195 0.151,1196 4.738,1197 1.488,1198 4.018,1199 4.034,1200 4.068,1201 3.94,1202 7.499,1203 3.945,1204 3.478,1205 3.49,1206 3.636,1207 3.295,1208 7.352,1209 3.324,1210 3.176,1211 3.241,1212 3.227,1213 3.045,1214 4.917,1215 3.024,1216 2.715,1217 2.771,1218 2.807,1219 2.464,1220 4.367,1221 2.485,1222 2.594,1223 2.598,1224 2.546,1225 2.358,1226 3.853,1227 2.374,1228 2.363,1229 2.408,1230 2.273,1231 2.04,1232 3.58,1233 2.079,1234 1.864,1235 1.906,1236 2.139,1237 1.512,1238 3.215,1239 1.487,1240 1.529,1241 1.623,1242 1.462,1243 1.168,1244 2.561,1245 1.16,1246 0.326,1247 0.278,1248 0.485,1249 0.302,1250 0.231,1251 4.569,1252 0.302,1253 3.894,1254 0.076,1255 6.785,1256 0.791,1257 4.227,1258 0.23,1259 3.229,1260 4.224,1261 1.058,1262 11.077,1263 3.221,1264 1.899,1265 1.883,1266 1.974,1267 1.967,1268 1.145,1269 1.976,1270 1.396,1271 1.388,1272 1.545,1273 1.658,1274 0.615,1275 1.596,1276 1.129,1277 1.061,1278 1.357,1279 1.378,1280 0.246,1281 1.411,1282 0.928,1283 0.897,1284 1.047,1285 1.121,1286 0.14,1287 1.108,1288 0.475,1289 0.387,1290 0.809,1291 0.726,1293 0.766,1296 0.202,1297 0.387,1299 0.239,1303 0.155,1305 0.183,1312 3.367,1314 4.727,1315 2.398,1316 6.279,1317 4.844,1318 7.92,1319 7.018,1320 9.612,1322 1.795,1323 5.75,1329 2.496,1340 13.859,1341 34.672,1342 69.956,1343 73.956,1344 75.956,1345 75.956,1346 75.956,1347 22.228,1348 5.598,1349 49.93,1350 49.93,1351 11,1352 11.966,1353 3.17,1354 2.585,1355 18.968,1356 25,1357 19,1358 0.441,1359 90.797,1360 159.23,1361 213.306,1362 1313,1363 5.3,1364 9.585,1365 0.737,1366 0.585,1367 10.085,1368 7.605,1369 6.092,1370 0.435,1371 0.295,1372 3.737,1373 5.595,1374 3.583,1375 2.959,1376 6.381,1377 4.13,1378 5.954,1379 0.284,1380 0.16,1381 6.362,1382 3.365,1383 4.946,1384 0.177,1385 0.079,1386 5.182,1387 2.208,1388 4.045,1389 0.109,1390 0.045,1391 4.367,1392 1.654,1393 3.127,1394 0.073,1395 0.022,1396 3.409,1397 0.966,1398 0.616,1399 41.292,1400 0.34,1401 12.519,1402 1.451,1403 70,1404 256.007,1405 91.891,1406 274.978,1407 353.06,1408 252,1409 84,1410 226.389,1411 100.575,1412 239.319,1413 352.02,1414 224,1415 4}
{0 CHEMBL376291,1 1.623,2 7.842,3 3.124,4 9.761,5 73.008,6 9.369,7 0.571,8 3.491,9 3.57,10 3.256,11 3.171,12 4.707,13 3.154,14 3.984,15 4.094,16 3.659,17 3.558,18 5.216,19 3.53,20 4.226,21 4.367,22 3.725,23 3.636,24 5.614,25 3.586,26 4.217,27 4.401,28 3.46,29 3.494,30 5.434,31 3.425,32 4.064,33 4.243,34 3.349,35 3.323,36 5.399,37 3.285,38 3.891,39 4.039,40 3.23,41 3.237,42 5.241,43 3.176,44 3.715,45 3.874,46 3.082,47 3.072,48 5.021,49 2.987,50 3.462,51 3.649,52 3.019,53 2.766,54 4.818,55 2.638,56 0.04,57 0.346,58 3.231,59 2.278,60 5.457,61 2.581,62 0.135,63 0.591,64 6.616,65 3.834,66 9.276,67 4.349,68 0.302,69 0.726,70 13.088,71 5.551,72 47.535,73 6.428,74 0.276,75 0.747,76 15.042,77 5.744,78 37.025,79 6.438,80 0.287,81 0.627,82 11.84,83 4.891,84 45.674,85 5.131,86 0.26,87 0.483,88 11.437,89 4.201,90 37.057,91 4.393,92 0.165,93 0.41,94 7.831,95 3.595,96 28.722,97 3.931,98 0.194,99 0.304,100 8.611,101 3.071,102 29.858,103 3.547,104 10,105 30,106 0.307,107 0.58,108 0.71,109 0.841,110 0.854,111 0.854,112 3.011,113 0.892,114 -4.47,115 -4.39,116 -4.14,121 51.7,127 1,144 8,145 2,146 2,159 1,160 1,176 8,179 1,180 4,187 10,191 2,192 6,200 6,206 8,214 3,219 6,227 6,232 5,239 9,244 2,251 6,256 1,264 4,269 1,277 2,281 415,282 12.776,283 12.776,284 12.776,285 12.776,286 12.776,287 11.114,288 13.934,289 7.435,290 12.96,291 10.329,292 10.329,293 10.329,294 10.329,295 10.329,296 7.77,297 18.411,298 3.526,299 10.661,300 3.235,301 1.793,302 1.103,303 0.414,304 0.345,305 0.345,306 3.687,308 1,311 1,312 1,313 322,314 2.121,317 36.476,318 99.506,321 69.553,325 1.042,326 23.077,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 40.833,338 149,339 4.588,340 3.982,341 6.972,342 4.296,343 3.309,344 4.131,345 1.23,346 11.743,347 3.269,348 4.011,349 3.045,350 5.706,351 3.588,352 2.617,353 3.613,354 0.521,355 7.612,356 2.54,357 3.607,358 2.929,359 5.541,360 3.174,361 2.212,362 2.969,364 6.665,365 2.181,366 3.476,367 2.791,368 5.326,369 3.114,370 2.123,371 2.736,373 6.53,374 2.015,375 3.225,376 2.495,377 4.869,378 2.843,379 1.896,380 2.394,382 5.558,383 1.708,384 2.842,385 1.781,386 3.722,387 2.361,388 1.354,389 1.97,391 2.958,392 1.36,393 2.5,394 1.322,395 3.64,396 2,397 1,398 1.5,400 2.381,401 1,402 2.429,403 1.103,404 3.414,405 1.94,406 0.941,407 1.33,409 2.275,410 0.933,411 1.96,412 1,413 3.153,414 1.442,415 0.396,416 0.554,418 0.947,419 0.394,420 1.271,421 0.596,422 2.592,423 0.856,424 -0.09,425 -0.12,427 -0.2,428 -0.073,429 0.85,430 -0.017,431 2.326,432 0.413,433 -0.545,434 -0.705,436 -1.33,437 -0.476,438 0.602,439 -0.13,440 2,441 0.138,442 -0.84,443 -1.109,445 -2.062,446 -0.774,447 0.5,448 -0.794,449 2,451 -1,452 -1.365,454 -2.554,455 -0.924,456 0.372,457 -0.829,458 1.818,459 -0.046,460 -1,461 -1.5,463 -3,464 -1,465 0.099,466 -1,467 1.474,468 -0.286,469 -1.337,470 -1.765,472 -3.312,473 -1.232,474 9.281,475 0.488,476 0.507,477 0.027,478 27.5,479 1.447,480 15.5,481 0.816,482 12,483 0.632,484 11.345,485 0.597,486 18.919,487 0.652,488 18.196,489 0.958,490 5.57,491 0.293,492 3.594,493 0.189,494 0.149,496 0.366,501 0.532,502 1.093,503 0.511,504 0.812,505 0.501,506 0.767,507 0.613,508 1.095,509 0.635,510 0.867,511 0.574,512 0.868,513 0.742,514 1.171,515 0.947,516 1.111,517 0.707,518 1.072,519 1.104,520 1.082,521 1.001,522 1.072,523 1.037,524 1.089,525 1.386,526 0.837,527 0.709,528 0.777,529 1.517,530 0.838,531 1.315,532 0.865,533 1.161,534 1.069,535 1.467,536 1.079,537 1.192,538 0.994,539 0.924,540 0.993,541 1.366,542 1.087,543 0.923,544 0.96,545 1.191,546 1.04,547 0.984,548 1.058,549 3.5,550 0.012,551 2.444,552 1.986,553 0.964,554 0.678,555 0.274,556 0.204,557 0.158,558 0.03,559 3122,560 10876,561 2.081,562 34.5,564 10,572 1.605,573 1.932,574 2.948,575 -0.776,577 1,579 1,582 47.059,583 1.623,584 3.065,585 3.755,586 4.444,587 4.513,588 4.513,589 2.379,590 3.722,591 4.22,592 3.045,593 520.629,594 7.198,595 4980.68,596 1,597 1,598 1,599 1,600 140.881,601 1.462,602 4.171,603 0.167,604 0.012,605 0.081,606 0.066,607 0.042,608 0.032,609 0.015,610 0.015,611 0.018,612 0.007,613 0.456,614 0.83,615 1,616 0.644,617 81.115,618 -0.014,619 -0.109,620 0.014,621 -0.021,622 -0.037,623 0.006,624 0.04,625 -0.063,626 0.002,627 -0.042,628 -0.007,629 -0.054,630 0.154,631 -0.188,632 -0.071,633 -0.192,634 0.165,635 -0.157,636 -0.15,637 -0.065,638 -0.126,639 -0.114,640 -0.075,641 -0.102,642 -0.213,643 0.164,644 0.034,645 0.186,646 -0.155,647 0.143,648 -0.172,649 0.056,650 -0.209,651 -0.09,652 -0.202,653 -0.118,654 -0.156,655 -0.096,656 -0.03,657 -0.003,658 -0.195,659 -0.092,660 0.185,661 -0.085,662 0.271,663 0.077,664 0.056,665 0.062,666 2.142,667 4.984,668 0.789,669 11.834,670 1.017,671 1.101,672 3.236,673 10.472,674 0.744,675 3.091,676 3.434,677 3.738,678 4.007,679 4.234,680 4.19,681 4.263,682 4.357,683 4.263,684 4.174,685 4.612,686 0.721,687 271.71,688 3.091,689 4.635,690 5.501,691 6.392,692 7.281,693 8.179,694 9.078,695 9.98,696 10.883,697 11.789,698 3.4,705 1,715 8,720 4,722 12,727 1,740 1,741 29,743 14,744 2,745 21,747 31,748 15,749 12,750 4,751 8,752 2,756 3,757 4,758 1,772 14,773 1,777 2,782 2,786 2,790 1,793 10,794 3,796 4,797 1,802 1,808 0.667,809 2,828 1,829 2,832 1,844 1,859 2,865 1,868 19,876 1,881 1,892 1,893 6.9,896 2,901 9.833,902 5.343,903 4.139,904 1.687,907 2.375,908 1.359,909 1.012,910 2.937,911 8.989,912 3.401,913 3.989,914 4.564,915 5.07,916 5.592,917 5.637,918 5.912,919 6.248,920 6.425,921 6.597,922 1,923 30,924 7.031,926 3.096,927 0.026,929 8.006,931 13.077,933 10.859,936 2.506,937 47.611,938 0.001,941 117.711,942 100.382,943 3.124,944 39.149,945 50.29,948 100.382,949 207.15,950 3.124,952 5.23,953 75.81,954 60.128,955 12.629,957 117.711,958 39.149,959 117.711,960 103.507,961 50.29,962 39.149,964 117.711,965 50.29,968 5.23,969 98.277,970 39.149,972 117.711,973 53.414,974 139.531,977 117.711,978 24.572,979 78.934,981 89.438,982 117.711,983 53.414,984 139.531,986 0.589,987 0.354,988 0.19,989 0.109,990 16,991 7,992 0.065,993 2,994 1,995 1.133,996 3.114,997 143.654,998 0.133,999 15,1000 76.711,1005 12.092,1006 4.614,1007 2.074,1009 53.414,1010 14.277,1015 2.726,1018 310.656,1019 29,1024 23.823,1028 -0.916,1031 29.498,1032 31.937,1034 0.334,1035 0.631,1036 0.773,1037 0.915,1038 0.929,1039 0.929,1040 4.635,1041 0.941,1042 5.501,1043 2.381,1044 4.111,1045 4.673,1046 1.487,1047 6.347,1048 4.061,1049 5.848,1050 0.396,1051 7.086,1052 2.275,1053 3.761,1054 4.443,1055 0.325,1056 7.326,1057 3.66,1058 7.158,1059 -0.09,1060 8.774,1061 0.947,1062 5.733,1063 6.827,1064 1.615,1065 10.476,1066 5.647,1067 8.505,1068 -0.545,1069 10.524,1070 -0.2,1071 6.217,1072 7.388,1073 0.74,1074 12.334,1075 6.106,1076 9.884,1077 -0.84,1078 12.313,1079 -1.33,1080 7.684,1081 9.258,1082 1.853,1083 15.026,1084 7.576,1085 11.289,1086 -1,1087 14.132,1088 -2.062,1089 8.558,1090 10.203,1091 1.168,1092 17.257,1093 8.439,1094 12.713,1095 -1,1096 15.974,1097 -2.554,1098 9.838,1099 11.847,1100 2.14,1101 19.799,1102 9.715,1103 3.309,1104 -1.337,1105 17.834,1106 -3,1107 10.893,1108 12.997,1109 1.605,1110 22.177,1111 10.761,1112 2.617,1113 11.743,1114 19.708,1115 -3.312,1116 12.108,1117 14.528,1118 2.456,1119 24.667,1120 11.969,1121 2.212,1122 7.612,1123 21.595,1124 4.131,1125 13.242,1126 15.792,1127 2.049,1128 27.099,1129 13.094,1130 2.123,1131 6.665,1132 23.492,1133 3.613,1134 14.438,1135 17.264,1136 2.793,1137 29.572,1138 14.281,1139 1.896,1140 6.53,1141 25.397,1142 2.969,1143 15.606,1144 18.592,1145 2.494,1146 32.024,1147 15.439,1148 1.354,1149 5.558,1150 27.309,1151 2.736,1152 16.797,1153 20.034,1154 3.145,1155 34.491,1156 16.62,1157 1,1158 2.958,1159 29.227,1160 2.394,1161 17.98,1162 21.398,1163 2.938,1164 36.95,1165 17.793,1166 3068,1167 5803,1168 13.929,1169 21.58,1170 32.42,1171 34.242,1172 33.257,1173 31.944,1174 31.695,1175 42.394,1176 3.503,1177 93.338,1178 30.802,1179 5.486,1180 5.982,1181 6.651,1182 5.309,1183 5.309,1184 7.131,1185 2.335,1186 18.957,1187 5.269,1188 8.853,1189 1.544,1190 1.631,1191 1.584,1192 1.521,1193 1.509,1194 2.019,1195 0.167,1196 4.445,1197 1.467,1198 4.035,1199 4.057,1200 4.03,1201 3.943,1202 7.497,1203 3.95,1204 3.876,1205 3.898,1206 3.939,1207 3.829,1208 7.352,1209 3.821,1210 3.458,1211 3.483,1212 3.448,1213 3.283,1214 4.941,1215 3.308,1216 3.159,1217 3.19,1218 3.325,1219 3.023,1220 4.711,1221 3.02,1222 2.855,1223 2.925,1224 2.897,1225 2.741,1226 4.332,1227 2.73,1228 2.854,1229 2.906,1230 2.687,1231 2.735,1232 3.848,1233 2.715,1234 2.605,1235 2.613,1236 2.575,1237 2.418,1238 3.674,1239 2.443,1240 2.538,1241 2.588,1242 2.541,1243 2.338,1244 3.615,1245 2.326,1246 0.218,1247 0.19,1248 0.332,1249 0.205,1250 0.158,1251 4.588,1252 0.197,1253 3.982,1254 0.059,1255 6.972,1256 0.559,1257 4.296,1258 0.156,1259 3.309,1260 4.131,1261 1.23,1262 11.743,1263 3.269,1264 1.92,1265 1.894,1266 2.02,1267 2.005,1268 1.177,1269 2.015,1270 1.862,1271 1.841,1272 1.964,1273 1.934,1274 1.063,1275 1.947,1276 1.42,1277 1.406,1278 1.522,1279 1.663,1280 0.688,1281 1.613,1282 1.126,1283 1.095,1284 1.279,1285 1.316,1286 0.297,1287 1.312,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.83,1295 0.788,1296 1.073,1297 0.989,1298 0.154,1299 1.024,1300 0.758,1301 0.714,1302 0.933,1303 0.957,1305 0.958,1306 0.408,1307 0.329,1308 0.748,1309 0.648,1311 0.7,1312 3.761,1314 5.094,1315 2.398,1316 6.629,1317 4.949,1318 8.252,1319 7.195,1320 9.92,1323 5.827,1328 0.374,1333 1.501,1340 20.913,1341 47.059,1342 88.881,1343 108.881,1344 128.881,1345 130.881,1346 130.881,1347 32.701,1348 6.613,1349 39.07,1350 39.07,1351 17,1352 12.308,1353 3.907,1354 3.17,1355 27.749,1356 51,1357 58,1358 0.271,1359 132.176,1360 231.85,1361 314.269,1362 5573,1363 3.4,1364 13.405,1365 0.706,1366 0.564,1367 13.905,1368 10.724,1369 9.165,1370 0.436,1371 0.297,1372 5.84,1373 8.641,1374 5.684,1375 4.678,1376 9.453,1377 6.241,1378 8.356,1379 0.279,1380 0.16,1381 8.764,1382 4.8,1383 7.346,1384 0.179,1385 0.083,1386 7.634,1387 3.385,1388 5.882,1389 0.109,1390 0.043,1391 6.048,1392 2.304,1393 5.008,1394 0.074,1395 0.024,1396 5.243,1397 1.664,1398 0.409,1399 59.856,1400 0.268,1401 18.69,1402 0.791,1403 102,1404 323.32,1405 124.585,1406 343.617,1407 452.74,1408 318,1409 122,1410 302.657,1411 140.072,1412 317.632,1413 468.09,1414 299,1415 4}
{0 CHEMBL376327,1 1.408,2 5.5,3 -0.094,4 0.009,5 77.049,6 6.451,8 3.866,9 3.985,10 3.314,11 3.387,12 4.782,13 3.344,14 4.534,15 4.71,16 3.8,17 3.933,18 5.368,19 3.864,20 4.998,21 5.206,22 4.06,23 4.254,24 5.88,25 4.16,26 5.188,27 5.422,28 4.098,29 4.332,30 6.086,31 4.216,32 5.194,33 5.447,34 3.826,35 4.163,36 6.253,37 4.004,38 4.982,39 5.297,40 2.99,41 3.709,42 5.918,43 3.442,44 4.391,45 4.767,46 1.72,47 2.874,48 5.17,49 2.505,50 3.227,51 3.655,52 0.455,53 1.627,54 3.761,55 1.21,56 0.048,57 0.612,58 10.744,59 4.619,60 11.004,61 6.263,62 0.119,63 1.127,64 21.253,65 8.499,66 20.043,67 11.924,68 0.351,69 1.632,70 34.485,71 12.687,72 53.061,73 18.014,74 0.411,75 1.853,76 41.896,77 14.615,78 59.188,79 21.136,80 0.74,81 1.662,82 43.003,83 13.695,84 124.609,85 19.967,86 0.648,87 1.147,88 34.846,89 10.44,90 107.04,91 15.586,92 0.387,93 0.549,94 19.289,95 5.166,96 58.783,97 8.099,98 0.117,99 0.152,100 5.806,101 1.493,102 15.602,103 2.473,104 17,105 37,106 0.252,107 0.55,108 0.812,109 0.893,110 0.902,111 0.902,112 3.064,113 1.029,114 -2.57,115 -2.59,116 -2.53,121 37.2,122 1,123 4,124 3,125 1,127 2,129 2,137 1,140 1,158 1,176 8,180 5,185 3,187 12,192 7,195 1,197 3,200 10,206 4,209 1,211 5,214 10,218 1,219 3,222 2,224 5,227 3,232 1,236 1,237 3,239 2,249 1,281 382,282 13.253,283 13.253,284 13.253,285 13.253,286 13.253,287 12.953,288 19.745,289 7.28,290 13.389,291 11.317,292 11.317,293 11.317,294 11.317,295 11.317,296 10.71,297 28.214,298 3.398,299 11.563,300 4.019,301 2.353,302 0.89,303 0.436,304 0.39,305 0.39,306 3.754,311 1,312 1,313 243,314 2.646,317 20.682,318 50.518,319 29.144,321 78.883,322 86.696,323 47.964,324 107.978,325 0.7,326 30.618,329 1,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.98,337 43.5,338 110,339 4.921,340 4.165,341 8.506,342 4.858,343 3.866,344 4.044,345 2.178,346 17.382,347 3.836,348 3.865,349 3.54,350 6.238,351 3.63,352 2.661,353 3.048,354 0.916,355 8.948,356 2.603,357 3.548,358 2.859,359 5.917,360 3.469,361 2.495,362 2.585,363 0.172,364 7.786,365 2.403,366 3.428,367 2.624,368 5.568,369 3.347,370 2.356,371 2.452,373 6.891,374 2.329,375 3.09,376 2.425,377 5.099,378 2.922,379 1.952,380 2.098,382 5.661,383 1.882,384 2.833,385 2.102,386 4.907,387 2.714,388 1.728,389 1.823,391 5.275,392 1.703,393 2.747,394 1.882,395 4.825,396 2.702,397 1.717,398 1.744,400 4.778,401 1.677,402 2.112,403 1.416,404 4.196,405 1.89,406 0.908,407 1.01,409 2.599,410 0.884,411 1.574,412 0.73,413 3.362,414 1.365,415 0.389,416 0.424,418 1.048,419 0.378,420 1.127,421 0.601,422 3,423 0.982,424 0.035,425 0.036,427 0.089,428 0.033,429 0.858,430 0.17,431 3,432 0.71,433 -0.316,434 -0.34,436 -0.845,437 -0.32,438 0.531,439 -0.17,440 2.808,441 0.425,442 -0.546,443 -0.57,445 -1.51,446 -0.522,447 0.323,448 -0.368,449 2.606,450 0.144,451 -0.838,452 -0.844,454 -2.108,455 -0.766,456 0.167,457 -0.409,458 2.219,459 0.077,460 -0.88,461 -1,463 -2.529,464 -0.882,465 -0.101,466 -0.87,467 2.178,468 -0.139,469 -1.126,470 -1.185,472 -3.146,473 -1.125,474 9.4,475 0.47,476 0.728,477 0.036,478 15.5,479 0.775,480 2.5,481 0.125,482 13,483 0.65,484 25.476,485 1.274,486 23.6,487 0.549,488 9.279,489 0.464,490 2.138,491 0.107,492 7.392,493 0.37,494 0.16,495 0.053,496 0.415,501 0.825,502 1.299,503 0.925,504 1.154,505 0.779,506 1.07,507 0.737,508 1.184,509 0.921,510 1.104,511 0.627,512 1.042,513 0.929,514 1.124,515 1.005,516 1.076,517 0.932,518 1.054,519 0.919,520 1.153,521 1.013,522 1.138,523 0.885,524 1.093,525 1.084,526 1.111,527 1.159,528 1.174,529 1.085,530 1.176,531 1.19,532 0.851,533 1.071,534 0.912,535 1.279,536 0.973,537 1.251,538 0.433,539 0.839,540 0.47,541 1.325,542 0.58,543 0.856,544 0.077,545 0.426,546 0.087,547 0.795,548 0.179,549 6,551 3.333,552 3.167,553 2.191,554 1.087,555 0.232,559 2909,560 6305,561 2.12,562 53.5,563 7,564 7,567 2,568 3,569 2,570 2,572 1.635,573 1.92,574 2.438,575 0.311,577 1,582 60.533,583 1.408,584 3.073,585 4.536,586 4.99,587 5.037,588 5.037,589 1.722,590 3.984,591 4.3,592 2.478,593 470.853,594 7.429,595 4613.27,597 1,600 233.329,601 1.739,602 4.218,603 0.261,605 0.09,606 0.069,607 0.049,608 0.037,609 0.026,613 0.532,614 0.67,615 1,616 0.68,617 82.272,618 -0.074,619 0.015,620 0.044,621 0.103,622 -0.078,623 0.091,624 -0.046,625 0.041,626 0.034,627 0.055,628 -0.023,629 0.059,630 -0.049,631 -0.01,632 -0.031,633 -0.001,634 -0.079,635 -0.013,636 -0.021,637 -0.102,638 -0.042,639 -0.118,640 -0.025,641 -0.087,642 0.053,643 -0.157,644 -0.161,645 -0.228,646 0.082,647 -0.227,648 -0.039,649 -0.07,650 -0.088,651 -0.061,652 -0.034,653 -0.082,654 -0.103,655 0.217,656 0.139,657 0.271,658 -0.117,659 0.245,660 0.038,661 0.481,662 0.511,663 0.584,664 -0.009,665 0.619,666 1.785,667 5.529,668 0.8,669 8.4,670 0.995,671 1.132,672 1.339,673 1.793,674 0.622,675 3.178,676 3.638,677 4.06,678 4.5,679 4.836,680 5.024,681 5.153,682 5.278,683 5.338,684 5.313,685 3.556,686 0.58,687 277.4,688 3.178,689 4.796,690 5.733,691 6.711,692 7.677,693 8.66,694 9.635,695 10.617,696 11.596,697 12.578,698 2.3,701 1,741 43,743 2,745 23,747 46,748 16,756 4,757 13,763 1,764 1,766 1,767 6,768 3,770 6,772 3,773 13,774 3,777 2,782 1,784 1,786 2,790 1,793 23,794 4,795 2,796 4,802 1,808 0.25,809 3,811 2,828 1,829 2,830 1,832 2,833 2,834 1,835 2,841 1,849 2,855 1,857 2,859 1,864 1,868 20,875 2,876 6,880 5,881 1,882 1,893 7,894 2,896 1,901 10.417,902 7.517,903 4.139,904 2.89,907 0.48,908 1.064,909 0.877,910 2.701,911 8.027,912 3.258,913 3.761,914 4.248,915 4.736,916 5.136,917 5.347,918 5.509,919 5.694,920 5.793,921 5.855,922 0.75,923 46,924 7.618,926 3.643,927 0.026,929 7.763,931 14.989,933 14.411,936 2.263,937 45.25,938 0.002,941 247.193,942 40.541,943 3.124,945 110.512,948 40.541,949 357.705,950 3.124,951 8.825,952 14.35,953 94.843,954 33.035,955 3.124,957 247.193,959 247.193,960 43.666,961 110.512,964 200.109,965 72.229,966 85.367,968 26.299,969 5.133,970 12.233,972 247.193,973 113.636,974 40.541,977 247.193,978 22.24,979 21.426,981 110.512,982 247.193,983 113.636,984 40.541,986 0.613,987 0.387,988 0.241,989 0.146,990 23,991 10,994 5,995 1.5,996 2.935,997 182.639,998 0.625,999 14,1000 86.439,1005 12.996,1006 4.156,1007 1.539,1009 113.636,1017 85.367,1018 401.37,1019 25,1024 12.529,1026 2.266,1028 1.434,1031 42.803,1032 48.694,1034 0.259,1035 0.566,1036 0.836,1037 0.92,1038 0.928,1039 0.928,1040 4.644,1041 0.908,1042 5.814,1043 4.778,1044 4.317,1045 4.443,1046 2.298,1047 6.851,1048 4.28,1049 5.849,1050 0.389,1051 7.52,1052 2.599,1053 4.29,1054 4.443,1055 2.085,1056 8.465,1057 4.242,1058 7.209,1059 0.035,1060 9.351,1061 1.048,1062 6.155,1063 6.405,1064 3.392,1065 11.729,1066 6.096,1067 8.604,1068 -0.316,1069 11.266,1070 0.089,1071 6.957,1072 7.216,1073 3.757,1074 14.262,1075 6.897,1076 10.047,1077 -0.546,1078 13.243,1079 -0.845,1080 8.422,1081 8.766,1082 4.787,1083 17.202,1084 8.354,1085 11.522,1086 -0.838,1087 15.265,1088 -1.51,1089 9.576,1090 9.928,1091 5.381,1092 19.986,1093 9.508,1094 13.026,1095 -0.88,1096 17.322,1097 -2.108,1098 10.941,1099 11.358,1100 6.28,1101 22.859,1102 10.866,1103 3.866,1104 -1.126,1105 19.404,1106 -2.529,1107 12.225,1108 12.662,1109 6.973,1110 25.699,1111 12.147,1112 2.661,1113 17.382,1114 21.504,1115 -3.146,1116 13.572,1117 14.061,1118 7.81,1119 28.558,1120 13.488,1121 2.495,1122 8.948,1123 23.616,1124 4.044,1125 14.9,1126 15.419,1127 8.548,1128 31.41,1129 14.811,1130 2.356,1131 7.786,1132 25.736,1133 3.048,1134 16.247,1135 16.812,1136 9.354,1137 34.266,1138 16.151,1139 1.952,1140 6.891,1141 27.863,1142 2.585,1143 17.59,1144 18.192,1145 10.114,1146 37.12,1147 17.488,1148 1.728,1149 5.661,1150 29.994,1151 2.452,1152 18.939,1153 19.586,1154 10.905,1155 39.976,1156 18.83,1157 1.717,1158 5.275,1159 32.128,1160 2.098,1161 20.288,1162 20.975,1163 11.675,1164 42.831,1165 20.172,1166 2853,1167 4213,1168 15.027,1169 26.745,1170 36.753,1171 37.697,1172 39.321,1173 36.192,1174 36.214,1175 38.529,1176 6.534,1177 120.913,1178 35.455,1179 5.921,1180 6.097,1181 7.798,1182 5.898,1183 5.866,1184 6.558,1185 3.677,1186 25.928,1187 5.836,1188 10.099,1189 1.598,1190 1.639,1191 1.71,1192 1.574,1193 1.575,1194 1.675,1195 0.284,1196 5.257,1197 1.542,1198 4.109,1199 4.142,1200 4.039,1201 4.019,1202 7.426,1203 4.019,1204 3.64,1205 3.701,1206 3.507,1207 3.504,1208 6.452,1209 3.493,1210 3.598,1211 3.643,1212 3.491,1213 3.44,1214 6.445,1215 3.447,1216 3.484,1217 3.536,1218 3.338,1219 3.318,1220 4.523,1221 3.314,1222 3.075,1223 3.156,1224 2.915,1225 2.872,1226 4.05,1227 2.854,1228 2.999,1229 3.067,1230 2.833,1231 2.849,1232 3.898,1233 2.84,1234 2.967,1235 3.024,1236 2.775,1237 2.728,1238 3.645,1239 2.737,1240 2.713,1241 2.811,1242 2.446,1243 2.437,1244 3.567,1245 2.415,1246 0.214,1247 0.181,1248 0.37,1249 0.211,1250 0.168,1251 4.921,1252 0.176,1253 4.165,1254 0.095,1255 8.506,1256 0.756,1257 4.858,1258 0.167,1259 3.866,1260 4.044,1261 2.178,1262 17.382,1263 3.836,1264 1.966,1265 1.933,1266 2.107,1267 2.084,1268 1.535,1269 2.093,1270 1.708,1271 1.67,1272 1.901,1273 1.883,1274 1.271,1275 1.889,1276 1.623,1277 1.563,1278 1.861,1279 1.81,1280 1.2,1281 1.83,1282 1.433,1283 1.383,1284 1.68,1285 1.628,1286 0.947,1287 1.644,1288 1.19,1289 1.119,1290 1.496,1291 1.405,1292 0.795,1293 1.441,1294 0.97,1295 0.913,1296 1.258,1297 1.273,1298 0.505,1299 1.26,1300 0.858,1301 0.781,1302 1.224,1303 1.088,1304 0.426,1305 1.141,1306 0.792,1307 0.684,1308 1.173,1309 1.084,1310 0.355,1311 1.116,1312 3.85,1314 5.273,1315 2.398,1316 6.909,1317 5.043,1318 8.662,1319 7.413,1320 10.486,1322 2.197,1327 21.068,1328 4.236,1332 -0.34,1333 2.249,1334 -0.39,1340 24.961,1341 60.533,1342 132.136,1343 195.065,1344 214.574,1345 216.574,1346 216.574,1347 46.13,1348 7.546,1349 60.77,1350 60.77,1351 24,1352 13.048,1353 1.585,1354 1.585,1355 25.652,1356 43,1357 42,1358 0.321,1359 147.603,1360 268.01,1361 351.91,1362 16500,1364 14.069,1365 0.703,1366 0.598,1367 14.069,1368 11.957,1369 9.53,1370 0.414,1371 0.343,1372 7.814,1373 9.232,1374 7.64,1375 6.174,1376 9.53,1377 7.892,1378 9.515,1379 0.257,1380 0.196,1381 9.515,1382 7.258,1383 8.432,1384 0.148,1385 0.108,1386 8.432,1387 6.134,1388 8.125,1389 0.091,1390 0.062,1391 8.125,1392 5.51,1393 7.381,1394 0.059,1395 0.037,1396 7.381,1397 4.577,1398 0.447,1399 59.485,1400 0.258,1401 18.33,1402 1.103,1403 120,1404 269.68,1405 128.726,1406 254.778,1407 344.91,1408 238,1409 154,1410 246.999,1411 163.366,1412 247.823,1413 377.1,1414 236,1415 4.554}
{0 CHEMBL376425,1 1.35,2 9.4,3 4.453,4 19.83,5 97.455,6 6.361,7 0.222,8 4.044,9 4.172,10 3.46,11 3.592,12 5.013,13 3.531,14 4.657,15 4.844,16 3.842,17 4.054,18 5.614,19 3.951,20 5.027,21 5.271,22 3.891,23 4.209,24 5.868,25 4.068,26 5.118,27 5.376,28 3.886,29 4.175,30 6.056,31 4.045,32 5.065,33 5.31,34 3.915,35 4.135,36 6.085,37 4.026,38 5.094,39 5.334,40 3.897,41 4.154,42 6.253,43 4.026,44 5.098,45 5.381,46 3.631,47 4.118,48 5.957,49 3.932,50 4.901,51 5.193,52 3.451,53 3.962,54 5.68,55 3.766,56 0.053,57 0.73,58 12.898,59 5.744,60 8.446,61 7.812,62 0.252,63 1.256,64 24.015,65 10.158,66 45.176,67 14.235,68 0.252,69 1.646,70 35.069,71 13.12,72 38.439,73 18.972,74 0.473,75 1.668,76 39.361,77 13.006,78 80.454,79 18.856,80 0.44,81 1.588,82 37.523,83 12.263,84 74.334,85 17.626,86 0.786,87 1.591,88 38.98,89 12.981,90 136.524,91 18.352,92 0.45,93 1.575,94 37.996,95 13.434,96 80.515,97 19.335,98 0.295,99 1.325,100 30.74,101 11.478,102 49.002,103 16.607,104 24,105 38,106 0.228,107 0.515,108 0.702,109 0.812,110 0.812,111 0.812,112 3.267,113 1.072,114 -4.68,115 -4.6,116 -4.32,121 38.9,122 1,123 9,124 1,125 1,129 1,144 4,145 2,160 2,170 1,174 1,176 18,177 1,180 2,183 2,185 4,187 22,188 2,192 5,197 7,200 14,201 2,206 7,211 7,214 10,215 3,219 6,220 1,224 6,225 1,227 13,228 2,231 1,232 5,235 2,236 1,237 3,239 18,244 3,249 1,251 18,252 2,256 2,261 2,264 16,265 2,269 2,274 2,277 12,278 2,281 940,282 16.792,283 16.792,284 16.792,285 16.792,286 16.792,287 15.741,288 16.877,289 9.952,290 16.831,291 13.27,292 13.27,293 13.27,294 13.27,295 13.27,296 11.657,297 20.399,298 4.577,299 13.317,300 4.405,301 2.698,302 1.594,303 0.94,304 0.94,305 0.94,306 3.943,311 1,312 1,313 496,314 4.183,317 133.871,318 78.058,321 114.709,325 1.456,326 30.792,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 53.5,338 235,339 4.565,340 4.027,341 7.628,342 4.506,343 3.503,344 3.84,345 2.341,346 13.9,347 3.511,348 4.263,349 3.711,350 6.245,351 3.973,352 2.979,353 3.666,354 1.907,355 9.484,356 2.963,357 3.838,358 3.207,359 5.904,360 3.655,361 2.652,362 2.996,363 0.149,364 8.068,365 2.645,366 3.34,367 2.737,368 5.262,369 3.152,370 2.178,371 2.426,373 6.517,374 2.115,375 2.967,376 2.162,377 4.689,378 2.653,379 1.636,380 2.07,382 4.312,383 1.656,384 2.879,385 2.023,386 4.414,387 2.532,388 1.532,389 2.012,391 4.176,392 1.532,393 2.711,394 1.821,395 3.962,396 2.443,397 1.437,398 1.719,400 3.135,401 1.429,402 2.654,403 1.441,404 3.618,405 2.361,406 1.364,407 1.607,409 2.937,410 1.359,411 2.277,412 1.369,413 3.613,414 2.172,415 1.156,416 1.243,418 2.579,419 1.168,420 1.844,421 1.016,422 3.577,423 1.738,424 0.732,425 0.776,427 1.464,428 0.729,429 1.618,430 0.618,431 3.157,432 1.618,433 0.618,434 0.618,436 1.365,437 0.618,438 1.569,439 0.547,440 3,441 1.347,442 0.347,443 0.412,445 0.86,446 0.347,447 0.981,448 0.455,449 2.852,450 0.697,451 -0.301,452 -0.316,454 -0.62,455 -0.298,456 0.682,457 0.406,458 2.468,459 0.663,460 -0.345,461 -0.387,463 -0.859,464 -0.345,465 0.589,466 -0.287,467 2.036,468 0.152,469 -0.854,470 -0.933,472 -2,473 -0.855,474 11.9,475 0.476,476 0.634,477 0.025,478 23.75,479 0.95,480 9,481 0.36,482 14.75,483 0.59,484 28.626,485 1.145,486 28.9,487 0.535,488 15.689,489 0.628,490 3.79,491 0.152,492 8.248,493 0.33,494 0.126,495 0.042,496 0.252,501 0.711,502 1.212,503 0.957,504 1.15,505 0.619,506 1.092,507 0.375,508 1.206,509 0.937,510 1.179,511 0.375,512 1.139,513 0.788,514 1.214,515 1.016,516 1.165,517 0.764,518 1.123,519 1.379,520 0.988,521 1.051,522 0.931,523 1.411,524 0.941,525 1.48,526 1.028,527 1.063,528 0.978,529 1.482,530 0.961,531 1.358,532 0.952,533 1.12,534 0.977,535 1.362,536 1.013,537 1.139,538 0.876,539 1.032,540 0.905,541 1.138,542 0.949,543 0.783,544 0.881,545 0.938,546 0.93,547 0.807,548 0.951,549 6,550 0.086,551 3.111,552 2.042,553 1.547,554 0.778,555 0.675,556 0.332,557 0.169,558 0.169,559 6565,560 14504,561 2.028,562 53.7,563 17,564 5,567 2,568 1,569 4,572 1.684,573 1.887,574 3.221,575 0.194,577 1,582 72.889,583 1.35,584 3.057,585 4.161,586 4.815,587 4.815,588 4.815,589 2.695,590 3.734,591 4.616,592 3.377,593 1013.2,594 8.006,595 12168.6,597 1,599 1,600 310.764,601 1.571,602 4.56,603 0.222,604 0.007,605 0.082,606 0.055,607 0.043,608 0.021,609 0.019,610 0.012,611 0.007,612 0.009,613 0.479,614 0.17,615 1,616 1.458,617 119.534,618 -0.047,619 0.059,620 0.023,621 0.074,622 -0.02,623 0.06,624 0.211,625 -0.044,626 0.016,627 -0.042,628 0.166,629 -0.042,630 -0.014,631 -0.166,632 -0.052,633 -0.143,634 -0.028,635 -0.108,636 -0.127,637 -0.004,638 -0.03,639 0.013,640 -0.144,641 0.006,642 -0.121,643 -0.029,644 -0.024,645 -0.028,646 -0.091,647 -0.013,648 0.104,649 0.025,650 -0.074,651 -0.021,652 0.117,653 -0.066,654 -0.11,655 0.05,656 -0.053,657 0.041,658 -0.078,659 0.007,660 -0.033,661 0.056,662 0.004,663 0.036,664 -0.05,665 0.028,666 2.422,667 6.133,668 0.56,669 19.728,670 0.99,671 1.129,672 3.448,673 11.886,674 0.63,675 3.332,676 3.664,677 3.932,678 4.174,679 4.304,680 4.317,681 4.369,682 4.443,683 4.317,684 4.394,685 5.768,686 0.584,687 343.51,688 3.332,689 4.875,690 5.727,691 6.616,692 7.494,693 8.388,694 9.275,695 10.17,696 11.062,697 11.958,698 1.9,705 1,715 4,720 2,722 6,741 54,743 8,744 1,745 27,747 56,748 21,749 6,750 2,751 4,756 3,757 4,763 1,764 1,766 1,767 7,770 10,772 8,773 13,774 1,777 2,782 2,786 2,790 1,793 29,794 4,795 2,796 4,802 1,808 0.667,809 3,828 2,829 1,832 1,843 1,845 1,857 1,859 2,864 1,868 25,875 1,876 9,877 1,880 2,882 1,893 5.6,895 1,896 2,901 13.25,902 9.533,903 5.597,904 3.779,907 1.181,908 1.174,909 0.912,910 5.708,911 7.983,912 3.497,913 3.961,914 4.366,915 4.753,916 5.096,917 5.114,918 5.286,919 5.513,920 5.411,921 5.685,922 1,923 37,924 9.423,926 4.127,927 0.026,929 7.763,931 18.406,933 16.027,936 2.263,937 56.583,939 1,940 1,941 317.82,942 81.527,943 18.011,945 92.973,948 81.527,949 410.793,950 18.011,951 8.825,952 40.822,953 37.905,954 98.588,955 6.371,957 317.82,959 317.82,960 99.537,961 92.973,964 270.735,965 140.058,968 49.647,969 49.891,972 317.82,973 110.984,974 81.527,977 317.82,978 34.796,979 46.73,980 18.011,981 92.973,982 317.82,983 110.984,984 81.527,986 0.577,987 0.344,988 0.187,989 0.098,990 18,991 8,992 0.125,993 7,994 1,995 1.143,996 3.612,997 205.591,998 0.143,999 14,1000 104.096,1005 18.29,1006 7.803,1007 4.017,1009 110.984,1010 8.358,1015 2.644,1017 60.694,1018 510.33,1019 32,1024 24.736,1028 -0.667,1031 53.454,1032 60.939,1034 0.235,1035 0.531,1036 0.723,1037 0.837,1038 0.837,1039 0.837,1040 4.766,1041 1.364,1042 5.746,1043 3.135,1044 4.344,1045 4.644,1046 2.748,1047 6.624,1048 4.337,1049 5.941,1050 1.156,1051 7.356,1052 2.937,1053 4.111,1054 4.477,1055 2.591,1056 7.976,1057 4.105,1058 7.253,1059 0.732,1060 9.088,1061 2.579,1062 6.043,1063 6.639,1064 4.005,1065 11.039,1066 6.032,1067 8.603,1068 0.618,1069 10.901,1070 1.464,1071 6.686,1072 7.284,1073 4.392,1074 13.276,1075 6.682,1076 9.992,1077 0.347,1078 12.768,1079 1.365,1080 8.125,1081 8.977,1082 5.469,1083 15.979,1084 8.117,1085 11.407,1086 -0.301,1087 14.676,1088 0.86,1089 9.124,1090 9.961,1091 6.092,1092 18.492,1093 9.123,1094 12.841,1095 -0.345,1096 16.612,1097 -0.62,1098 10.407,1099 11.478,1100 7.032,1101 21.127,1102 10.406,1103 3.503,1104 -0.854,1105 18.569,1106 -0.859,1107 11.547,1108 12.617,1109 7.767,1110 23.721,1111 11.552,1112 2.979,1113 13.9,1114 20.543,1115 -2,1116 12.786,1117 14.054,1118 8.649,1119 26.348,1120 12.793,1121 2.652,1122 9.484,1123 22.529,1124 3.84,1125 13.982,1126 15.271,1127 9.44,1128 28.967,1129 13.993,1130 2.178,1131 8.068,1132 24.524,1133 3.666,1134 15.214,1135 16.666,1136 10.299,1137 31.595,1138 15.228,1139 1.636,1140 6.517,1141 26.527,1142 2.996,1143 16.435,1144 17.928,1145 11.117,1146 34.222,1147 16.453,1148 1.532,1149 4.312,1150 28.536,1151 2.426,1152 17.669,1153 19.298,1154 11.967,1155 36.852,1156 17.69,1157 1.437,1158 4.176,1159 30.55,1160 2.07,1161 18.902,1162 20.586,1163 12.8,1164 39.482,1165 18.927,1166 6489,1167 9703,1168 17.682,1169 34.029,1170 40.603,1171 41.559,1172 42.653,1173 40.3,1174 40.267,1175 46.768,1176 8.794,1177 117.595,1178 40.147,1179 5.553,1180 6.027,1181 7.39,1182 5.548,1183 5.503,1184 6.84,1185 3.925,1186 21.304,1187 5.511,1188 12.533,1189 1.504,1190 1.539,1191 1.58,1192 1.493,1193 1.491,1194 1.732,1195 0.326,1196 4.355,1197 1.487,1198 4.043,1199 4.079,1200 3.968,1201 3.97,1202 7.474,1203 3.964,1204 3.939,1205 3.976,1206 3.846,1207 3.853,1208 7.428,1209 3.845,1210 3.707,1211 3.759,1212 3.583,1213 3.569,1214 6.351,1215 3.56,1216 3.505,1217 3.565,1218 3.387,1219 3.357,1220 4.753,1221 3.354,1222 3.39,1223 3.447,1224 3.219,1225 3.196,1226 4.297,1227 3.187,1228 3.207,1229 3.239,1230 3.098,1231 2.979,1232 4.129,1233 3.007,1234 2.964,1235 3.036,1236 2.8,1237 2.847,1238 4.102,1239 2.827,1240 2.937,1241 2.979,1242 2.778,1243 2.671,1244 3.693,1245 2.648,1246 0.169,1247 0.149,1248 0.283,1249 0.167,1250 0.13,1251 4.565,1252 0.142,1253 4.027,1254 0.087,1255 7.628,1256 0.515,1257 4.506,1258 0.13,1259 3.503,1260 3.84,1261 2.341,1262 13.9,1263 3.511,1264 1.896,1265 1.871,1266 2.03,1267 1.993,1268 1.425,1269 2.003,1270 1.846,1271 1.809,1272 2.012,1273 1.964,1274 1.211,1275 1.982,1276 1.651,1277 1.597,1278 1.878,1279 1.844,1280 1.199,1281 1.856,1282 1.577,1283 1.507,1284 1.86,1285 1.751,1286 1.172,1287 1.793,1288 1.538,1289 1.476,1290 1.786,1291 1.706,1292 1.149,1293 1.739,1294 1.295,1295 1.246,1296 1.571,1297 1.551,1298 0.807,1299 1.547,1300 1.067,1301 1.007,1302 1.348,1303 1.233,1304 0.528,1305 1.276,1306 0.902,1307 0.844,1308 1.21,1309 1.209,1310 0.412,1311 1.194,1312 4.007,1314 5.333,1315 3.045,1316 6.849,1317 5.352,1318 8.456,1319 7.413,1320 10.112,1322 2.007,1327 9.532,1328 7.448,1329 3.263,1332 -0.258,1334 -0.479,1340 31.541,1341 72.889,1342 165.071,1343 224.706,1344 260.009,1345 260.009,1346 260.009,1347 65.799,1348 6.802,1349 66.4,1350 66.4,1351 16,1352 12.484,1353 3.17,1354 2.585,1355 41.578,1356 84,1357 83,1358 0.239,1359 194.175,1360 348.05,1361 465.548,1362 6868,1364 17.864,1365 0.715,1366 0.604,1367 17.864,1368 15.092,1369 12.038,1370 0.446,1371 0.357,1372 9.583,1373 11.769,1374 9.345,1375 7.747,1376 12.038,1377 9.644,1378 10.845,1379 0.285,1380 0.207,1381 10.845,1382 7.863,1383 8.941,1384 0.179,1385 0.121,1386 8.941,1387 6.052,1388 7.341,1389 0.115,1390 0.074,1391 7.341,1392 4.708,1393 5.549,1394 0.076,1395 0.041,1396 5.549,1397 2.996,1398 0.367,1399 74.366,1400 0.238,1401 24.017,1402 0.677,1403 130,1404 317.954,1405 138.696,1406 306.951,1407 406.58,1408 284,1409 153,1410 285.275,1411 160.813,1412 289.472,1413 421.9,1414 273,1415 5.523}
{0 CHEMBL376434,1 1.471,2 6.688,3 2.259,4 5.101,5 63.475,6 7.354,7 0.833,8 3.492,9 3.609,10 3.073,11 3.037,12 4.575,13 3.024,14 3.997,15 4.168,16 3.419,17 3.428,18 5.004,19 3.405,20 4.12,21 4.285,22 3.42,23 3.55,24 5.12,25 3.482,26 4.205,27 4.431,28 3.213,29 3.471,30 5.083,31 3.353,32 4.056,33 4.316,34 2.952,35 3.222,36 4.897,37 3.087,38 3.816,39 4.069,40 2.663,41 2.935,42 4.644,43 2.804,44 3.497,45 3.734,46 2.164,47 2.63,48 4.355,49 2.457,50 3.372,51 3.703,52 1.579,53 2.269,54 3.989,55 1.991,56 0.017,57 0.424,58 6.035,59 2.536,60 5.977,61 3.325,62 0.125,63 0.674,64 11.288,65 4.071,66 12.054,67 5.378,68 0.106,69 0.763,70 12.36,71 5.121,72 12.724,73 6.786,74 0.096,75 0.788,76 14.535,77 5.645,78 14.6,79 7.899,80 0.143,81 0.644,82 13.215,83 4.903,84 15.04,85 7.013,86 0.095,87 0.494,88 10.465,89 3.763,90 11.6,91 5.249,92 0.139,93 0.36,94 7.455,95 2.61,96 10.291,97 3.618,98 0.043,99 0.288,100 7.193,101 2.672,102 8.287,103 3.975,104 6,105 26,106 0.279,107 0.628,108 0.768,109 0.847,110 0.86,111 0.86,112 2.856,113 0.89,114 -2.52,115 -2.55,116 -2.49,121 44.8,126 2,144 4,145 2,146 1,147 2,154 2,176 4,180 2,185 3,187 4,189 1,192 2,197 3,199 1,200 4,203 1,206 1,214 2,216 1,219 1,222 1,227 1,229 2,241 1,246 1,281 214,282 10.972,283 10.972,284 10.972,285 10.972,286 10.972,287 9.285,288 7.476,289 6.32,290 11.311,291 8.836,292 8.836,293 8.836,294 8.836,295 8.836,296 6.21,297 7.151,298 2.95,299 9.284,300 3.387,301 1.552,302 0.811,303 0.397,304 0.328,305 0.328,306 3.532,311 1,312 1,313 232,314 2,317 19.86,318 56.752,321 80.783,325 1.063,326 6.126,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 34,338 107,339 4.717,340 3.24,341 6.766,342 4.203,343 3.223,344 4.816,345 0.86,346 11.144,347 3.16,348 3.98,349 2.778,350 5.676,351 3.5,352 2.548,353 3.635,355 7.623,356 2.426,357 3.609,358 2.432,359 5.204,360 3.162,361 2.239,362 3.012,364 6.42,365 2.062,366 3.347,367 1.952,368 5.005,369 2.848,370 1.888,371 2.739,373 5.709,374 1.806,375 3.166,376 1.728,377 4.745,378 2.657,379 1.698,380 2.465,382 5.006,383 1.622,384 2.585,385 1.105,386 3.831,387 2.086,388 1.093,389 1.626,391 2.826,392 1.084,393 1.994,394 1.087,395 3.175,396 1.543,397 0.638,398 0.815,400 1.312,401 0.571,402 1.553,403 0.425,404 2.798,405 1.193,406 0.28,407 0.358,409 0.506,410 0.255,411 1.044,412 -0.136,413 2.47,414 0.636,415 -0.315,416 -0.405,418 -0.739,419 -0.299,420 0.82,421 -0.416,422 2.299,423 0.317,424 -0.62,425 -0.851,427 -1.539,428 -0.573,429 0.613,430 -0.793,431 2.215,432 0.143,433 -0.843,434 -1.208,436 -2.521,437 -0.827,438 0.359,439 -0.962,440 2,441 -0.147,442 -1.091,443 -1.527,445 -3.214,446 -1.017,447 -0.015,448 -1.208,449 1.548,450 -0.396,451 -1.332,452 -1.781,454 -3.467,455 -1.244,456 -0.296,457 -1.331,458 1.301,459 -0.7,460 -1.589,461 -2.032,463 -4.26,464 -1.419,465 -0.42,466 -1.875,467 1.049,468 -0.915,469 -1.892,470 -2.806,472 -5.598,473 -1.792,474 7.633,475 0.477,476 0.397,477 0.025,478 22.25,479 1.391,480 11.5,481 0.719,482 10.75,483 0.672,484 9.366,485 0.585,486 16.667,487 0.575,488 13.343,489 0.834,490 4.596,491 0.287,492 3.179,493 0.199,494 0.131,496 0.38,501 0.963,502 1.322,503 0.78,504 1.055,505 0.941,506 0.914,507 1.456,508 0.874,509 0.842,510 0.67,511 0.996,512 0.67,513 0.984,514 1.092,515 1.058,516 1.105,517 1.021,518 1.096,519 0.821,520 1.16,521 1.067,522 1.162,523 0.976,524 1.147,525 0.68,526 0.935,527 0.933,528 1.015,529 0.807,530 1.005,531 1.157,532 1.072,533 1.045,534 1.075,535 0.937,536 1.056,537 1.249,538 1.003,539 1.494,540 1.231,541 1.619,542 1.37,543 0.424,544 1.024,545 0.884,546 1.132,547 0.691,548 1.085,549 3.5,551 1.778,552 1.389,553 0.777,554 0.563,555 0.182,556 0.115,557 0.045,559 1880,560 4303,561 2.135,562 44.8,564 10,566 2,567 1,572 1.554,573 2,574 2.766,575 -0.291,577 1,578 1,579 1,582 42.67,583 1.471,584 3.306,585 4.047,586 4.461,587 4.53,588 4.53,589 2.227,590 3.75,591 3.97,592 2.788,593 334.618,594 6.699,595 2753.42,597 1,599 1,600 140.881,601 1.406,602 3.933,603 0.194,605 0.068,606 0.056,607 0.041,608 0.04,609 0.018,610 0.023,611 0.023,613 0.463,614 1,615 1,616 0.875,617 62.704,618 -0.026,619 -0.201,620 0.075,621 -0.08,622 -0.087,623 -0.004,624 -0.212,625 0.211,626 0.097,627 0.28,628 0.008,629 0.239,630 -0.073,631 -0.044,632 -0.172,633 -0.126,634 -0.127,635 -0.159,636 -0.054,637 -0.188,638 -0.134,639 -0.192,640 -0.122,641 -0.176,642 0.153,643 -0.008,644 0.047,645 -0.047,646 0.126,647 -0.016,648 -0.067,649 -0.167,650 -0.04,651 -0.115,652 0.102,653 -0.082,654 -0.055,655 -0.046,656 -0.51,657 -0.297,658 -0.47,659 -0.437,660 0.179,661 -0.246,662 0.151,663 -0.143,664 0.187,665 -0.024,666 0.776,667 1.745,668 0.813,669 8.594,670 0.996,671 1.12,672 1.29,673 1.665,674 0.678,675 2.944,676 3.296,677 3.611,678 3.932,679 4.205,680 4.304,681 4.407,682 4.489,683 4.277,684 4.094,685 3.889,686 0.643,687 213.28,688 2.944,689 4.489,690 5.361,691 6.263,692 7.16,693 8.071,694 8.976,695 9.889,696 10.798,697 11.713,698 6.9,706 1,708 1,714 4,715 6,717 1,720 1,721 1,722 15,739 1,741 29,743 15,744 1,745 18,747 31,748 13,749 11,750 3,751 3,756 3,757 6,772 11,773 2,790 1,793 13,794 1,795 1,796 3,802 2,803 1,808 0.333,809 1,822 1,824 1,828 1,829 2,832 2,859 1,864 2,868 16,878 1,893 3.4,898 1,901 8,902 5.917,903 3.5,904 1.66,907 3.236,908 1.497,909 1.042,910 2.108,911 9.751,912 3.277,913 4.012,914 4.738,915 5.474,916 6.135,917 6.593,918 7.091,919 7.56,920 7.67,921 7.882,922 0.8,923 25,924 5.868,926 2.456,927 0.026,929 7.521,931 11.404,933 9.358,936 2.021,937 32.333,938 0.004,941 141.253,942 89.957,943 18.685,945 11,948 89.957,949 152.253,950 18.685,951 19.279,953 37.905,954 25.441,955 56.27,956 4.288,957 117.711,959 141.253,960 108.642,961 11,964 141.253,965 11,968 34.88,969 71.862,970 1.899,972 141.253,973 29.685,974 89.957,977 141.253,978 14.678,979 77.178,980 16.786,981 11,982 141.253,983 29.685,984 89.957,986 0.585,987 0.35,988 0.195,989 0.116,990 15,991 6,992 0.032,993 1,994 2,995 1.308,996 2.836,997 115.785,998 0.308,999 13,1000 64,1005 9.664,1006 3.49,1007 1.497,1008 4.72,1009 11,1010 12.338,1012 3.394,1015 0.89,1016 2.037,1017 16.786,1018 260.895,1019 25.5,1031 28.891,1032 32.49,1034 0.303,1035 0.68,1036 0.833,1037 0.918,1038 0.932,1039 0.932,1040 4.497,1041 0.28,1042 5.361,1043 1.312,1044 3.97,1045 4.696,1046 0.908,1047 6.209,1048 3.887,1049 5.755,1050 -0.315,1051 6.938,1052 0.506,1053 3.611,1054 4.691,1056 7.154,1057 3.496,1058 7.099,1059 -0.62,1060 8.612,1061 -0.739,1062 5.595,1063 7.108,1064 0.739,1065 10.278,1066 5.452,1067 8.485,1068 -0.843,1069 10.342,1070 -1.539,1071 6.043,1072 7.943,1074 12.077,1075 5.88,1076 9.903,1077 -1.091,1078 12.11,1079 -2.521,1080 7.518,1081 9.842,1082 0.593,1083 14.731,1084 7.338,1085 11.345,1086 -1.332,1087 13.905,1088 -3.214,1089 8.353,1090 11.081,1092 16.9,1093 8.161,1094 12.808,1095 -1.589,1096 15.721,1097 -3.467,1098 9.629,1099 12.774,1100 0.469,1101 19.394,1102 9.423,1103 3.223,1104 -1.892,1105 17.554,1106 -4.26,1107 10.647,1108 14.203,1110 21.713,1111 10.43,1112 2.548,1113 11.144,1114 19.402,1115 -5.598,1116 11.848,1117 15.816,1118 0.366,1119 24.152,1120 11.616,1121 2.239,1122 7.623,1123 21.262,1124 4.816,1125 12.949,1126 17.327,1128 26.528,1129 12.704,1130 1.888,1131 6.42,1132 23.131,1133 3.635,1134 14.124,1135 18.911,1136 0.283,1137 28.949,1138 13.864,1139 1.698,1140 5.709,1141 25.008,1142 3.012,1143 15.262,1144 20.457,1146 31.346,1147 14.987,1148 1.093,1149 5.006,1150 26.891,1151 2.739,1152 16.43,1153 22.031,1154 0.217,1155 33.76,1156 16.138,1157 0.638,1158 2.826,1159 28.78,1160 2.465,1161 17.584,1162 23.592,1164 36.165,1165 17.276,1166 1871,1167 2898,1168 12.137,1169 19.654,1170 27.236,1171 27.611,1172 28.362,1173 27.184,1174 27.217,1175 38.931,1176 1.72,1177 81.095,1178 25.97,1179 5.272,1180 5.24,1181 6.313,1182 5.24,1183 5.223,1184 7.816,1185 1.72,1186 18.189,1187 5.16,1188 6.615,1189 1.513,1190 1.534,1191 1.576,1192 1.51,1193 1.512,1194 2.163,1195 0.096,1196 4.505,1197 1.443,1198 4.222,1199 4.254,1200 4.19,1201 4.132,1202 5.07,1203 4.143,1204 3.751,1205 3.798,1206 3.682,1207 3.614,1208 4.726,1209 3.624,1210 3.382,1211 3.442,1212 3.273,1213 3.137,1214 4.423,1215 3.16,1216 3.137,1217 3.218,1218 2.974,1219 2.957,1220 3.969,1221 2.953,1222 3.057,1223 3.138,1224 2.877,1225 2.846,1226 3.89,1227 2.839,1228 2.798,1229 2.877,1230 2.605,1231 2.662,1232 3.555,1233 2.638,1234 2.659,1235 2.741,1236 2.45,1237 2.508,1238 3.347,1239 2.484,1240 2.181,1241 2.277,1242 1.98,1243 1.993,1244 2.953,1245 1.98,1246 0.262,1247 0.18,1248 0.376,1249 0.234,1250 0.179,1251 4.717,1252 0.268,1253 3.24,1254 0.048,1255 6.766,1256 0.619,1257 4.203,1258 0.176,1259 3.223,1260 4.816,1261 0.86,1262 11.144,1263 3.16,1264 1.984,1265 1.964,1266 2.062,1267 2.093,1268 1.222,1269 2.084,1270 1.865,1271 1.823,1272 1.968,1273 2.016,1274 1.058,1275 2.006,1276 1.27,1277 1.195,1278 1.577,1279 1.568,1280 0.633,1281 1.566,1282 1.231,1283 1.163,1284 1.551,1285 1.492,1286 0.581,1287 1.515,1288 1.033,1289 0.953,1290 1.287,1291 1.25,1292 0.34,1293 1.276,1294 0.828,1295 0.753,1296 1.124,1297 1.018,1298 0.201,1299 1.06,1300 0.696,1301 0.64,1302 0.947,1303 0.864,1304 0.058,1305 0.898,1306 0.442,1307 0.332,1308 0.799,1309 0.737,1311 0.768,1312 3.611,1314 4.949,1315 2.398,1316 6.494,1317 4.844,1318 8.133,1319 7.05,1320 9.822,1322 3.71,1330 5.245,1340 18.655,1341 42.67,1342 95.862,1343 117.372,1344 129.372,1345 131.372,1346 131.372,1347 13.594,1348 6.515,1349 28.9,1350 28.9,1351 17,1352 12.226,1353 4,1354 3.087,1355 21.729,1356 38,1357 38,1358 0.311,1359 114.775,1360 179.95,1361 271.811,1362 4690,1364 11.121,1365 0.695,1366 0.586,1367 11.121,1368 9.372,1369 7.775,1370 0.432,1371 0.297,1372 5.244,1373 7.447,1374 5.062,1375 4.249,1376 7.775,1377 5.338,1378 7.089,1379 0.273,1380 0.157,1381 7.089,1382 4.086,1383 6.193,1384 0.172,1385 0.082,1386 6.193,1387 2.961,1388 5.293,1389 0.106,1390 0.042,1391 5.293,1392 2.124,1393 4.509,1394 0.068,1395 0.023,1396 4.509,1397 1.508,1398 0.456,1399 48.872,1400 0.287,1401 15.707,1402 0.947,1403 88,1404 220.401,1405 94.681,1406 215.268,1407 306.62,1408 204,1409 106,1410 236.771,1411 113.348,1412 243.548,1413 355.9,1414 228,1415 5.658}
{0 CHEMBL376435,1 1.97,2 5,3 1.613,4 2.601,5 44.668,6 11.323,7 0.375,8 3.147,9 3.212,10 3,11 2.674,12 4.595,13 2.765,14 3.695,15 3.774,16 3.555,17 3.036,18 5.855,19 3.147,20 3.789,21 3.885,22 3.487,23 3.032,24 5.606,25 3.148,26 3.816,27 3.958,28 3.405,29 2.816,30 5.638,31 2.98,32 3.664,33 3.82,34 3.155,35 2.266,36 5.573,37 2.599,38 3.06,39 3.164,40 2.666,41 1.063,42 5.948,43 1.593,56 0.319,57 0.524,58 0.549,59 1.729,60 68.171,61 1.05,62 0.837,63 1.102,64 1.96,65 2.997,66 161.709,67 1.891,68 0.753,69 0.81,70 2.964,71 3.311,72 151.259,73 2.602,74 0.872,75 0.86,76 4.649,77 3.13,78 167.497,79 2.098,80 0.994,81 0.744,82 6.315,83 2.894,84 194.832,85 1.672,86 0.779,87 0.148,88 4.881,89 1.144,90 172.346,91 0.442,104 27,105 25,106 0.424,107 0.73,108 0.807,109 0.861,110 0.861,111 0.861,112 2.799,113 0.744,114 -3.24,115 -3.23,116 -3.1,121 47.4,134 1,144 3,145 2,146 1,159 1,160 1,176 4,180 1,183 1,185 2,187 4,191 1,192 2,195 1,197 2,200 2,206 4,211 1,219 3,281 183,282 9.317,283 9.317,284 9.317,285 9.317,286 9.317,287 8.42,288 10.629,289 5.137,290 9.57,291 7.857,292 7.857,293 7.857,294 7.857,295 7.857,296 6.326,297 13.424,298 2.396,299 8.313,300 2.278,301 0.856,302 0.501,303 0.25,304 0.25,305 0.25,306 3.427,312 1,313 151,314 2.915,317 26.322,318 34.137,321 51.213,325 0.667,326 42.565,329 1,330 0.83,331 1,332 0.4,334 1,335 1,336 0.75,337 37,338 75,339 4.665,340 4.473,341 7.304,342 4.358,343 3.436,344 4.249,345 3.825,346 12.551,347 3.261,348 4.221,349 3.88,350 6.593,351 3.955,352 3.015,353 3.469,354 1.058,355 10.249,356 2.77,357 3.508,358 2.902,359 5.513,360 3.096,361 2.116,362 2.746,364 6.669,365 2.023,366 3.041,367 2.691,368 4.887,369 2.677,370 1.705,371 2.141,373 5.113,374 1.621,375 2.842,376 1.607,377 4.192,378 2.369,379 1.373,380 1.972,382 3.438,383 1.36,384 2.424,385 1.537,386 3.584,387 1.897,388 0.88,389 1.233,391 2.264,392 0.877,393 1.353,394 0.692,395 2.822,396 0.911,397 -0.134,398 -0.191,400 -0.324,401 -0.138,402 0.792,403 0.51,404 2.432,405 0.343,406 -0.665,407 -0.935,409 -1.659,410 -0.668,411 0.563,412 0.51,413 2.283,414 0.107,415 -0.92,416 -1,418 -2.465,419 -0.7,420 0.093,421 0.042,422 2,423 -0.296,424 -1,425 -1,427 -3,428 -0.7,430 -0.383,431 2,432 -0.3,433 -1,434 -1.221,436 -3,437 -0.929,439 -1.01,440 2,441 -0.3,442 -1.371,443 -1.978,445 -3.827,446 -1.481,447 -0.5,448 -1.303,449 1.538,450 -0.706,451 -1.69,452 -2,453 -0.805,454 -5.51,455 -1.655,456 -0.571,457 -1.519,458 1.264,459 -0.825,460 -1.801,461 -2.168,462 -1.058,463 -6.07,464 -1.745,465 -0.586,466 -1.817,467 1.094,468 -0.986,469 -1.943,470 -2.318,471 -1.51,472 -6.521,473 -1.894,474 6.424,475 0.428,476 0.676,477 0.045,478 19.25,479 1.283,480 9.5,481 0.633,482 9.75,483 0.65,484 8.469,485 0.565,486 16.976,487 0.893,488 14.673,489 0.978,490 4.116,491 0.274,492 2.794,493 0.186,494 0.237,495 0.078,496 0.389,498 3,501 0.63,502 0.818,503 0.492,504 0.882,505 0.656,506 0.736,507 0.434,508 0.628,509 0.489,510 0.891,511 0.466,512 0.907,513 0.688,514 0.902,515 0.695,516 1.154,517 0.695,518 1.139,519 1.142,520 1.028,521 1.215,522 1.095,523 1.158,524 1.164,525 1.929,526 1.617,527 1.681,528 1.297,529 1.875,530 1.122,531 1.368,532 1.005,533 1.789,534 0.054,535 1.312,536 0.484,549 4.5,551 2.667,552 2.076,553 0.901,554 0.903,559 1265,560 7534,561 1.903,562 21.1,564 3,567 1,572 1.54,573 1.682,574 2.419,575 -0.069,582 37.426,583 1.97,584 3.392,585 3.747,586 3.998,587 3.998,588 3.998,589 1.782,590 3.59,591 3.884,592 2.472,593 259.609,594 6.551,595 2122.4,597 1,600 80.711,601 1.826,602 3.757,603 0.281,605 0.107,606 0.087,607 0.045,608 0.065,613 0.584,614 1,615 1,616 1.049,617 56.244,618 -0.045,619 -0.012,620 -0.027,621 0.051,622 -0.071,623 0.074,624 0.382,625 0.362,626 0.148,627 0.072,628 0.329,629 -0.101,630 0.021,631 -0.198,632 0.133,633 -0.247,634 0.033,635 -0.149,636 -0.211,637 -0.088,638 -0.184,639 -0.173,640 -0.245,641 -0.168,642 -0.683,643 -0.48,644 -0.345,645 -0.31,646 -0.647,647 -0.041,648 0.484,649 0.304,650 -0.134,651 0.941,652 0.635,653 0.419,666 5.83,667 4.435,668 0.6,669 6.507,670 1.102,671 1.167,672 2.01,673 4.038,674 0.685,675 2.833,676 3.258,677 3.497,678 3.761,679 3.912,680 3.912,681 3.85,682 3.555,683 3.091,684 2.708,685 3.406,686 0.746,687 215.14,688 2.833,689 4.419,690 5.283,691 6.213,692 7.104,693 8.032,694 8.932,695 9.858,696 10.761,697 11.685,698 5.3,705 1,715 3,720 3,722 6,727 1,741 19,743 8,744 1,745 16,747 20,748 9,749 6,750 3,751 3,752 2,756 2,757 3,763 1,769 1,772 8,773 1,777 2,782 2,786 2,791 3,793 4,794 6,795 1,796 6,802 1,808 0.5,809 2,828 1,829 1,832 1,843 1,859 1,866 3,868 15,877 1,882 1,892 3,893 10.5,896 2,901 8.917,902 3.512,903 3.111,904 1.017,907 1.531,908 1.262,909 0.991,910 1.917,911 7.38,912 3.091,913 3.701,914 4.259,915 4.774,916 5.256,917 5.437,918 5.623,919 5.596,920 5.238,921 4.979,922 1,923 24,924 6.077,925 -0.001,926 3.289,927 0.026,929 9.239,931 9.338,933 7.702,936 3.739,937 56.083,941 35.313,942 55.154,943 18.011,945 50.29,946 44.88,948 55.154,949 85.603,950 62.891,952 18.011,953 28.429,954 60.128,955 54.008,957 35.313,958 7.76,959 35.313,960 73.165,961 95.17,964 35.313,965 95.17,968 25.77,969 47.395,972 80.194,973 68.301,974 55.154,977 43.073,978 18.966,979 28.429,980 18.011,981 95.17,982 35.313,983 113.181,984 55.154,986 0.618,987 0.354,988 0.181,989 0.097,990 14,991 7,994 1,995 1.222,996 2.511,997 102.959,998 0.222,999 9,1000 53.848,1005 9.876,1006 2.912,1007 1.433,1009 113.181,1010 3.1,1015 -1.672,1017 18.011,1018 203.649,1019 21,1024 21.979,1028 -1.96,1031 20.945,1032 22.182,1034 0.464,1035 0.798,1036 0.882,1037 0.941,1038 0.941,1039 0.941,1040 4.388,1041 -0.665,1042 5.389,1043 -0.324,1044 3.932,1045 4.382,1046 3.139,1047 6.337,1048 3.84,1049 5.664,1050 -0.92,1051 7.057,1052 -1.659,1053 4.007,1054 4.494,1055 3.903,1056 7.716,1057 3.76,1058 7.033,1059 -1,1060 8.837,1061 -2.465,1062 5.74,1063 6.6,1064 5.431,1065 10.76,1066 5.531,1067 8.437,1068 -1,1069 10.679,1070 -3,1071 6.538,1072 7.436,1073 6.69,1074 12.859,1075 6.194,1076 9.871,1077 -1.371,1078 12.557,1079 -3,1080 7.902,1081 9.141,1082 8.059,1083 15.535,1084 7.559,1085 11.325,1086 -1.69,1087 14.46,1088 -3.827,1089 8.964,1090 10.293,1091 9.388,1092 17.888,1093 8.524,1094 12.796,1095 -1.801,1096 16.378,1097 -5.51,1098 10.218,1099 11.846,1100 10.734,1101 20.453,1102 9.751,1103 3.436,1104 -1.943,1105 18.309,1106 -6.07,1107 11.374,1108 13.144,1109 12.074,1110 22.904,1111 10.836,1112 3.015,1113 12.551,1114 20.25,1115 -6.521,1116 12.597,1117 14.633,1118 13.416,1119 25.435,1120 12.019,1121 2.116,1122 10.249,1123 22.197,1124 4.249,1125 13.789,1126 16.002,1127 14.758,1128 27.925,1129 13.152,1130 1.705,1131 6.669,1132 24.15,1133 3.469,1134 15.006,1135 17.464,1136 16.1,1137 30.447,1138 14.323,1139 1.373,1140 5.113,1141 26.108,1142 2.746,1143 16.213,1144 18.869,1145 17.441,1146 32.955,1147 15.478,1148 0.88,1149 3.438,1150 28.07,1151 2.141,1152 17.43,1153 20.32,1154 18.783,1155 35.476,1156 16.647,1157 -0.134,1158 2.264,1159 30.035,1160 1.972,1161 18.646,1162 21.743,1163 20.124,1164 37.993,1165 17.812,1166 1387,1167 3434,1168 9.652,1169 13.011,1170 25.732,1171 26.104,1172 26.646,1173 25.228,1174 25.049,1175 31.619,1176 9.767,1177 80.57,1178 23.822,1179 5.509,1180 6.473,1181 6.809,1182 5.358,1183 5.436,1184 7.249,1185 5.335,1186 20.46,1187 5.261,1188 9.238,1189 1.608,1190 1.631,1191 1.665,1192 1.577,1193 1.566,1194 1.976,1195 0.61,1196 5.036,1197 1.489,1198 4.024,1199 4.042,1200 4.002,1201 3.928,1202 8.513,1203 3.941,1204 3.509,1205 3.523,1206 3.515,1207 3.28,1208 7.999,1209 3.325,1210 3.272,1211 3.318,1212 3.24,1213 3.004,1214 7.999,1215 3.048,1216 2.761,1217 2.805,1218 2.714,1219 2.439,1220 7.499,1221 2.48,1222 2.587,1223 2.601,1224 2.529,1225 2.337,1226 7.352,1227 2.406,1228 2.398,1229 2.432,1230 2.294,1231 2.023,1232 4.669,1233 2.094,1234 1.832,1235 1.917,1236 1.602,1237 1.301,1238 3.926,1239 1.36,1240 1.454,1241 1.639,1242 1.581,1243 0.999,1244 3.506,1245 0.929,1246 0.292,1247 0.28,1248 0.456,1249 0.272,1250 0.215,1251 4.665,1252 0.266,1253 4.473,1254 0.239,1255 7.304,1256 0.784,1257 4.358,1258 0.204,1259 3.436,1260 4.249,1261 3.825,1262 12.551,1263 3.261,1264 1.895,1265 1.877,1266 1.971,1267 1.985,1268 1.113,1269 1.978,1270 1.382,1271 1.381,1272 1.428,1273 1.66,1274 0.382,1275 1.586,1276 1.026,1277 0.995,1278 1.126,1279 1.409,1280 0.202,1281 1.296,1282 0.943,1283 0.893,1284 1.101,1285 1.165,1286 0.057,1287 1.152,1288 0.399,1289 0.332,1290 0.639,1291 0.735,1293 0.732,1296 0.354,1297 0.395,1299 0.293,1302 0.13,1303 0.249,1305 0.234,1311 0.043,1312 3.497,1314 4.89,1315 2.398,1316 6.469,1317 4.844,1318 8.131,1319 7.018,1320 9.838,1324 37.304,1329 1.914,1334 -4.58,1340 14.181,1341 37.426,1342 64.446,1343 71.201,1344 75.956,1345 75.956,1346 75.956,1347 39.963,1348 5.849,1349 49.93,1350 49.93,1351 11,1352 12.194,1353 3.17,1354 2.585,1355 23.315,1356 31,1357 24,1358 0.418,1359 86.059,1360 162.23,1361 201.744,1362 1825,1363 15.8,1364 11.215,1365 0.748,1366 0.479,1367 8.715,1368 7.182,1369 6.91,1370 0.432,1371 0.248,1372 3.849,1373 6.425,1374 3.852,1375 3.116,1376 5.698,1377 3.969,1378 7.303,1379 0.292,1380 0.12,1381 5.308,1382 3.009,1383 5.449,1384 0.17,1385 0.064,1386 4.695,1387 2.059,1388 4.433,1389 0.106,1390 0.033,1391 3.652,1392 1.405,1393 3.399,1394 0.069,1395 0.017,1396 2.819,1397 0.853,1398 0.591,1399 45.271,1400 0.322,1401 14.42,1402 1.358,1403 82,1404 498.137,1405 105.389,1406 392.482,1407 489.21,1408 358,1409 98,1410 323.526,1411 115.292,1412 305.769,1413 471.57,1414 286,1415 4}
{0 CHEMBL376478,1 1.324,2 12.848,3 7.959,4 63.354,5 185.357,6 6.447,7 0.37,8 4.654,9 4.784,10 4.125,11 4.225,12 5.526,13 4.171,14 5.305,15 5.493,16 4.569,17 4.74,18 6.09,19 4.658,20 5.687,21 5.906,22 4.782,23 5.039,24 6.407,25 4.926,26 5.929,27 6.173,28 4.848,29 5.174,30 6.656,31 5.035,32 6.003,33 6.266,34 4.836,35 5.189,36 6.734,37 5.039,38 5.979,39 6.238,40 4.797,41 5.165,42 6.763,43 5.015,44 5.926,45 6.197,46 4.71,47 5.092,48 6.706,49 4.93,50 5.79,51 6.059,52 4.572,53 4.959,54 6.568,55 4.797,56 0.107,57 1.399,58 23.453,59 9.844,60 14.532,61 13.887,62 0.412,63 2.531,64 45.818,65 17.912,66 34.643,67 25.807,68 0.408,69 3.581,70 66.894,71 26.519,72 37.933,73 38.387,74 0.764,75 4.349,76 86.203,77 32.8,78 63.106,79 47.626,80 0.752,81 4.524,82 93.093,83 35.169,84 74.261,85 50.926,86 0.791,87 4.386,88 91.09,89 34.431,90 91.24,91 49.501,92 0.734,93 4.139,94 85.973,95 32.835,96 91.633,97 47.694,98 0.551,99 3.592,100 74.907,101 28.951,102 79.134,103 41.756,104 36,105 83,106 0.193,107 0.493,108 0.756,109 0.86,110 0.884,111 0.893,112 3.854,113 1.013,114 -6.04,115 -5.89,116 -5.48,121 41.7,122 2,123 7,124 7,126 2,127 3,129 2,144 7,145 5,154 4,160 1,176 25,179 1,180 9,185 8,187 30,192 9,197 9,200 33,205 2,206 11,209 1,211 8,214 37,219 9,222 1,224 6,227 37,232 11,236 1,237 5,239 37,244 10,247 2,249 6,251 34,256 8,261 5,264 28,269 6,272 3,274 4,277 26,281 4316,282 32.038,283 32.038,284 32.038,285 32.038,286 32.038,287 29.695,288 32.942,289 17.978,290 32.484,291 26.52,292 26.52,293 26.52,294 26.52,295 26.52,296 22.711,297 39.399,298 8.303,299 27.131,300 5.261,301 3.209,302 1.41,303 0.698,304 0.531,305 0.469,306 4.594,313 1361,314 4,317 112.567,318 484.383,319 86.685,320 98.624,321 336.99,322 243.176,323 426.688,324 147.395,325 1.757,326 32.205,329 0.5,330 0.5,331 0.83,332 0.9,333 0.5,334 0.83,335 1,336 0.72,337 96,338 591,339 4.704,340 3.866,341 7.047,342 4.37,343 3.388,344 4.618,345 2.443,346 12.156,347 3.332,348 4.655,349 3.567,350 7.023,351 4.338,352 3.356,353 4.577,354 0.8,355 12.045,356 3.294,357 4.301,358 3.51,359 6.852,360 4.15,361 3.167,362 3.544,363 0.8,364 11.412,365 3.113,366 4.238,367 3.18,368 6.664,369 4.052,370 3.072,371 3.382,372 0.68,373 10.764,374 3.013,375 4.012,376 3.1,377 6.317,378 3.763,379 2.77,380 3.24,381 0.286,382 9.549,383 2.749,384 3.618,385 2.984,386 5.92,387 3.421,388 2.432,389 2.975,391 8.126,392 2.403,393 3.549,394 2.55,395 5.838,396 3.316,397 2.361,398 2.682,400 7.855,401 2.275,402 3.503,403 2.5,404 5.605,405 3.29,406 2.302,407 2.636,409 7.153,410 2.241,411 3.322,412 2.333,413 5.441,414 3.128,415 2.146,416 2.518,418 6.672,419 2.119,420 3.228,421 2.189,422 5.277,423 3.083,424 2.118,425 2.439,427 6.654,428 2.035,429 3.137,430 2.148,431 5.239,432 3.007,433 2.024,434 2.349,436 6.27,437 1.974,438 3.125,439 2.045,440 5.144,441 2.814,442 1.836,443 2.138,445 5.82,446 1.792,447 3.054,448 1.976,449 4.885,450 2.644,451 1.679,452 2.078,454 5.133,455 1.618,456 2.878,457 1.771,458 4.621,459 2.589,460 1.616,461 2.032,463 4.454,464 1.559,465 2.741,466 1.485,467 4.557,468 2.437,469 1.457,470 1.742,472 4.234,473 1.425,474 22.267,475 0.484,476 1.223,477 0.027,478 47.75,479 1.038,480 17.5,481 0.38,482 30.25,483 0.658,484 68.236,485 1.483,486 50.333,487 0.524,488 38.915,489 0.846,490 7.767,491 0.169,492 14.698,493 0.32,494 0.105,496 0.463,501 0.831,502 1.282,503 0.91,504 1.105,505 0.618,506 1.025,507 0.948,508 1.08,509 0.953,510 0.962,511 0.551,512 0.952,513 0.829,514 1.144,515 0.99,516 1.068,517 0.682,518 1.042,519 1.011,520 1.072,521 1.061,522 1.059,523 1.069,524 1.061,525 1.119,526 0.997,527 1,528 0.99,529 1.117,530 0.985,531 1.282,532 0.976,533 1.045,534 0.983,535 1.365,536 0.996,537 0.935,538 0.988,539 0.975,540 0.998,541 0.968,542 0.991,543 1.021,544 1.013,545 0.975,546 1.01,547 1.101,548 0.995,549 8.5,550 0.442,551 5.778,552 4.778,553 3.748,554 2.507,555 1.907,556 1.166,557 0.702,558 0.574,559 36610,560 63378,561 2.232,562 52.1,563 17,564 21,567 2,568 3,569 7,572 1.839,573 2.091,574 3.592,575 -0.003,582 127.086,583 1.324,584 3.376,585 5.175,586 5.887,587 6.054,588 6.116,589 2.954,590 5.35,591 5.499,592 3.801,593 3933.61,594 9.787,595 68842.2,600 632.156,601 1.387,602 5.46,603 0.157,604 0.007,605 0.07,606 0.048,607 0.037,608 0.025,609 0.02,610 0.013,611 0.009,612 0.009,613 0.395,614 0.17,615 0.63,616 0.845,617 262.459,618 0.022,619 -0.06,620 0.093,621 0.022,622 0.028,623 0.057,624 0.052,625 0.066,626 0.056,627 0.095,628 0.095,629 0.08,630 -0.023,631 -0.055,632 -0.004,633 -0.027,634 0.01,635 -0.015,636 0.005,637 -0.028,638 -0.063,639 -0.054,640 -0.039,641 -0.063,642 -0.037,643 0.002,644 -0.002,645 -0.001,646 -0.025,647 0.002,648 -0.088,649 0.017,650 -0.04,651 0.008,652 -0.065,653 -0.01,654 0.043,655 -0.005,656 0.012,657 -0.01,658 0.065,659 -0.002,660 -0.019,661 -0.041,662 0.013,663 -0.015,664 0.017,665 -0.001,666 1.702,667 6.646,668 0.804,669 48.565,670 0.983,671 1.125,672 4.815,673 23.182,674 0.65,675 4.007,676 4.431,677 4.852,678 5.257,679 5.62,680 5.886,681 6.184,682 6.461,683 6.711,684 6.954,685 7.752,686 0.6,687 618.94,688 4.007,689 5.617,690 6.544,691 7.489,692 8.433,693 9.384,694 10.332,695 11.285,696 12.236,697 13.189,698 4.2,701 2,706 2,714 4,715 7,717 2,720 5,722 20,741 96,743 21,744 2,745 54,747 104,748 40,749 16,750 5,751 7,756 9,757 28,763 2,767 7,768 7,770 9,772 17,773 23,774 7,777 1,782 1,786 1,793 50,794 4,795 2,796 6,802 4,808 0.222,809 2,824 2,828 2,829 6,830 1,831 1,832 3,833 2,834 3,835 1,846 1,855 2,859 2,864 4,868 46,876 10,878 1,880 9,881 2,893 2.1,896 1,898 1,901 22,902 18.067,903 9.806,904 6.675,907 4.238,908 1.374,909 1.017,910 7.219,911 15.562,912 4.19,913 4.816,914 5.463,915 6.11,916 6.676,917 7.138,918 7.675,919 8.195,920 8.58,921 9.071,922 1,923 100,924 17.265,926 7.823,927 0.026,929 7.351,931 35.075,933 32.685,936 1.851,937 85.167,941 565.013,942 159.018,943 39.82,945 36.145,948 159.018,949 601.158,950 39.82,951 36.93,952 24.059,953 66.334,954 32.336,955 65.522,956 9.802,957 565.013,959 565.013,960 198.838,961 36.145,964 482.615,965 118.543,968 81.529,969 117.309,972 565.013,973 75.965,974 159.018,977 565.013,978 55.755,979 109.512,980 33.571,981 36.145,982 565.013,983 75.965,984 159.018,986 0.597,987 0.379,988 0.225,989 0.134,990 48,991 21,992 0.048,993 5,994 11,995 1.486,996 5.034,997 588.426,998 0.595,999 33,1000 250.084,1005 29.535,1006 11.244,1007 4.475,1008 5.235,1009 42.393,1010 16.128,1012 8.027,1015 7.219,1017 33.571,1018 799.996,1019 65,1024 13.646,1028 -0.035,1031 94.385,1032 107.962,1034 0.201,1035 0.513,1036 0.786,1037 0.894,1038 0.919,1039 0.929,1040 5.517,1041 2.302,1042 6.569,1043 7.855,1044 5.118,1045 5.505,1046 2.631,1047 7.504,1048 5.076,1049 6.724,1050 2.146,1051 8.2,1052 7.153,1053 4.844,1054 5.427,1055 2.321,1056 8.593,1057 4.787,1058 8.06,1059 2.118,1060 9.927,1061 6.672,1062 6.832,1063 7.71,1064 3.87,1065 11.776,1066 6.756,1067 9.426,1068 2.024,1069 11.711,1070 6.654,1071 7.378,1072 8.502,1073 4.278,1074 13.681,1075 7.286,1076 10.828,1077 1.836,1078 13.53,1079 6.27,1080 8.847,1081 10.3,1082 5.489,1083 16.388,1084 8.738,1085 12.254,1086 1.679,1087 15.373,1088 5.82,1089 9.76,1090 11.496,1091 6.159,1092 18.628,1093 9.634,1094 13.701,1095 1.616,1096 17.235,1097 5.133,1098 11.042,1099 13.12,1100 7.209,1101 21.177,1102 10.901,1103 3.388,1104 1.457,1105 19.11,1106 4.454,1107 12.116,1108 14.501,1109 7.992,1110 23.554,1111 11.957,1112 3.356,1113 12.156,1114 20.996,1115 4.234,1116 13.334,1117 16.059,1118 8.963,1119 26.049,1120 13.158,1121 3.167,1122 12.045,1123 22.891,1124 4.618,1125 14.477,1126 17.521,1127 9.802,1128 28.482,1129 14.283,1130 3.072,1131 11.412,1132 24.793,1133 4.577,1134 15.675,1135 19.056,1136 10.734,1137 30.961,1138 15.464,1139 2.77,1140 10.764,1141 26.701,1142 3.544,1143 16.848,1144 20.554,1145 11.599,1146 33.418,1147 16.619,1148 2.432,1149 9.549,1150 28.613,1151 3.382,1152 18.043,1153 22.081,1154 12.512,1155 35.894,1156 17.796,1157 2.361,1158 8.126,1159 30.53,1160 3.24,1161 19.229,1162 23.594,1163 13.391,1164 38.362,1165 18.965,1166 32481,1167 42904,1168 36.934,1169 62.444,1170 84.326,1171 85.447,1172 88.499,1173 83.806,1174 83.847,1175 100.509,1176 10.018,1177 266.69,1178 81.991,1179 5.704,1180 5.866,1181 6.728,1182 5.422,1183 5.388,1184 7.618,1185 4.174,1186 19.87,1187 5.332,1188 21.167,1189 1.562,1190 1.582,1191 1.639,1192 1.552,1193 1.553,1194 1.861,1195 0.186,1196 4.939,1197 1.518,1198 4.234,1199 4.268,1200 4.186,1201 4.153,1202 7.432,1203 4.157,1204 4.123,1205 4.158,1206 4.079,1207 4.04,1208 4.986,1209 4.045,1210 3.946,1211 3.991,1212 3.858,1213 3.854,1214 4.905,1215 3.849,1216 3.926,1217 3.971,1218 3.841,1219 3.814,1220 4.514,1221 3.813,1222 3.601,1223 3.652,1224 3.506,1225 3.507,1226 4.445,1227 3.5,1228 3.539,1229 3.596,1230 3.408,1231 3.4,1232 4.378,1233 3.388,1234 3.476,1235 3.552,1236 3.338,1237 3.322,1238 4.27,1239 3.31,1240 3.44,1241 3.484,1242 3.295,1243 3.253,1244 4.172,1245 3.25,1246 0.087,1247 0.072,1248 0.131,1249 0.081,1250 0.063,1251 4.704,1252 0.086,1253 3.866,1254 0.045,1255 7.047,1256 0.225,1257 4.37,1258 0.062,1259 3.388,1260 4.618,1261 2.443,1262 12.156,1263 3.332,1264 2.022,1265 1.995,1266 2.159,1267 2.133,1268 1.611,1269 2.144,1270 1.989,1271 1.944,1272 2.146,1273 2.118,1274 1.573,1275 2.13,1276 1.943,1277 1.919,1278 2.04,1279 2.029,1280 1.288,1281 2.034,1282 1.893,1283 1.858,1284 2.017,1285 1.993,1286 1.214,1287 2.002,1288 1.677,1289 1.632,1290 1.855,1291 1.828,1292 1.167,1293 1.837,1294 1.601,1295 1.547,1296 1.82,1297 1.77,1298 1.087,1299 1.789,1300 1.512,1301 1.44,1302 1.812,1303 1.711,1304 1.065,1305 1.749,1306 1.476,1307 1.418,1308 1.694,1309 1.689,1310 0.947,1311 1.695,1312 4.691,1314 6.089,1315 3.045,1316 7.692,1317 5.587,1318 9.393,1319 7.84,1320 11.146,1322 8.506,1328 11.632,1330 5.564,1332 3.934,1333 5.311,1340 57.632,1341 127.086,1342 324.074,1343 496.756,1344 565.137,1345 581.137,1346 587.137,1347 77.256,1348 11.325,1349 64.36,1350 64.36,1351 55,1352 13.677,1353 4.459,1354 3.585,1355 55.189,1356 212,1357 234,1358 0.124,1359 336.747,1360 583.54,1361 813.422,1362 1730100,1364 31.266,1365 0.68,1366 0.609,1367 31.266,1368 28.02,1369 22.465,1370 0.416,1371 0.338,1372 18.075,1373 21.929,1374 17.565,1375 14.43,1376 22.465,1377 18.228,1378 20.96,1379 0.253,1380 0.188,1381 20.96,1382 15.613,1383 19.874,1384 0.156,1385 0.107,1386 19.874,1387 13.627,1388 18.296,1389 0.096,1390 0.061,1391 18.296,1392 11.59,1393 16.625,1394 0.06,1395 0.035,1396 16.625,1397 9.72,1398 0.191,1399 138.536,1400 0.165,1401 38.844,1402 0.356,1403 274,1404 537.427,1405 287.807,1406 527.997,1407 759.89,1408 502,1409 347,1410 587.266,1411 362.808,1412 601.353,1413 905.87,1414 570,1415 6.644}
{0 CHEMBL376518,1 1.768,2 5.357,3 2.217,4 4.917,5 61.265,6 13.686,7 0.4,8 3.206,9 3.291,10 3.311,11 2.938,12 4.387,13 2.856,14 3.722,15 3.851,16 3.605,17 3.326,18 4.916,19 3.212,20 3.913,21 4.072,22 3.71,23 3.329,24 5.361,25 3.246,26 3.823,27 3.966,28 3.724,29 3.294,30 5.153,31 3.149,32 3.75,33 3.906,34 4.051,35 3.197,36 5.181,37 2.937,38 3.272,39 3.497,40 3.675,41 2.759,42 4.465,43 2.345,44 2.49,45 2.806,46 2.613,47 2.124,48 3.044,49 1.53,50 1.315,51 1.617,52 0.643,53 0.895,54 1.633,55 0.441,56 0.029,57 0.283,58 2.734,59 1.715,60 5.859,61 1.991,62 0.121,63 0.505,64 25.601,65 4.716,66 10.512,67 3.986,68 0.263,69 0.597,70 30.368,71 5.892,72 43.247,73 4.956,74 0.16,75 0.506,76 8.645,77 4.185,78 27.406,79 4.006,80 0.255,81 0.46,82 13.282,83 5.614,84 49.75,85 3.675,86 0.163,87 0.299,88 23.442,89 5.188,90 32.99,91 3.378,92 0.038,93 0.151,94 28.34,95 3.638,96 6.647,97 2.668,98 0.012,99 0.039,100 12.177,101 1.294,102 2.09,103 0.813,104 12,105 21,106 0.368,107 0.682,108 0.795,109 0.871,110 0.89,111 0.89,112 2.737,113 1.158,114 -3.4,115 -3.38,116 -3.23,121 45.5,127 2,144 4,145 1,146 1,159 1,160 1,176 4,179 1,180 3,187 4,191 2,192 5,200 2,206 5,219 4,227 2,232 1,239 2,251 1,281 148,282 9.475,283 9.475,284 9.475,285 9.475,286 9.475,287 8.589,288 9.392,289 5.635,290 9.806,291 7.328,292 7.328,293 7.328,294 7.328,295 7.328,296 5.865,297 12.522,298 2.535,299 7.838,300 2.692,301 1.182,302 0.636,303 0.273,304 0.182,305 0.182,306 3.374,311 1,312 1,313 154,314 2.121,317 24.742,318 30.558,321 47.019,325 0.837,326 18.162,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 29.9,338 75,339 4.583,340 3.977,341 6.967,342 4.29,343 3.302,344 4.128,345 1.2,346 11.717,347 3.264,348 3.606,349 2.983,350 5.631,351 3.176,352 2.183,353 2.966,354 0.293,355 7.026,356 2.183,357 3.358,358 2.77,359 5.537,360 3.095,361 2.097,362 2.49,364 6.6,365 2.048,366 2.843,367 2.067,368 3.799,369 2.361,370 1.355,371 1.97,373 2.965,374 1.36,375 2.502,376 1.688,377 3.64,378 2.132,379 1.256,380 1.486,382 2.705,383 1.038,384 2.273,385 1.321,386 3.275,387 1.768,388 0.819,389 1.079,391 1.674,392 0.635,393 1.632,394 1.061,395 2.668,396 1.099,397 0.165,398 0.227,400 0.31,401 0.068,402 0.851,403 -0.007,404 2.333,405 0.394,406 -0.505,407 -0.625,409 -0.985,410 -0.277,411 0.596,412 -0.032,413 2,414 0.111,415 -0.831,416 -1.066,418 -1.824,419 -0.722,420 0.332,421 -0.826,422 1.694,423 -0.168,424 -1,425 -1.364,427 -2.277,428 -0.926,429 0.069,430 -0.932,431 1.455,432 -0.352,433 -1.361,434 -1.889,436 -3.5,437 -1.466,438 -0.5,439 -1.359,440 1.261,441 -0.755,442 -1.701,443 -2,445 -4.895,446 -1.589,447 -0.516,448 -1.605,449 1.176,450 -0.933,451 -1.867,452 -2.182,454 -5.314,455 -1.753,456 -0.755,457 -1.817,458 0.322,459 -1,460 -1.911,461 -2.222,462 -0.4,463 -7.022,464 -1.863,465 -0.874,466 -2,467 0.241,468 -1.019,469 -2,470 -3,471 -1.093,472 -7.18,473 -2,474 7.71,475 0.551,476 0.333,477 0.024,478 18.25,479 1.304,480 9.5,481 0.679,482 8.75,483 0.625,484 10.026,485 0.716,486 13.89,487 0.631,488 9.501,489 0.679,490 2.965,491 0.212,492 3.788,493 0.271,494 0.3,496 0.311,501 0.556,502 1.119,503 0.459,504 0.531,505 0.488,506 0.717,507 0.616,508 1.116,509 0.89,510 0.93,511 0.567,512 0.951,513 0.713,514 1.001,515 0.736,516 0.848,517 0.683,518 0.872,519 1.191,520 1.031,521 0.515,522 0.608,523 1.17,524 0.966,525 1.876,526 0.923,527 1.064,528 1.01,529 1.96,530 1.066,531 1.413,532 0.827,533 1.686,534 1.513,535 1.511,536 1.191,537 0.066,538 0.902,539 2.8,540 2.4,541 0.071,542 1.489,543 0.064,544 0.969,545 3.922,546 3.489,547 0.074,548 1.901,549 2,551 2,552 1.986,553 0.622,554 0.368,555 0.06,556 0.028,559 1106,560 4567,561 1.993,562 36.4,564 8,572 1.518,573 1.826,574 2.463,575 -0.696,579 1,580 1,582 38.888,583 1.768,584 3.278,585 3.823,586 4.187,587 4.278,588 4.278,589 1.924,590 3.236,591 3.776,592 2.502,593 227.719,594 6.338,595 1755.5,597 1,600 98.107,601 1.531,602 3.714,603 0.133,605 0.095,606 0.09,607 0.037,608 0.033,609 0.015,610 0.028,613 0.432,614 0.83,615 1,616 1.292,617 51.192,618 -0.018,619 -0.169,621 -0.015,622 -0.014,623 -0.017,624 0.061,625 -0.095,626 -0.099,627 -0.139,628 -0.001,629 -0.128,630 0.246,631 -0.016,632 -0.047,633 -0.11,634 0.222,635 -0.008,636 -0.171,637 -0.134,638 0.009,639 0.008,640 -0.109,641 -0.149,642 -0.391,643 -0.018,644 0.011,645 0.066,646 -0.334,647 -0.082,648 -0.244,649 0.1,650 -0.034,651 0.031,652 -0.254,653 0.078,654 0.266,655 0.088,656 -0.263,657 -0.162,658 0.19,659 0.189,660 0.324,661 0.08,662 -0.578,663 -0.608,664 0.228,665 0.061,666 2.067,667 4.525,668 0.643,669 7.082,670 1.016,671 1.104,672 2.167,673 4.696,674 0.801,675 2.773,676 3.091,677 3.434,678 3.714,679 3.85,680 3.714,681 3.611,682 3.434,683 2.833,684 2.303,685 3.376,686 0.722,687 301.09,688 2.773,689 4.29,690 5.165,691 6.061,692 6.963,693 7.87,694 8.778,695 9.687,696 10.596,697 11.506,698 4.5,705 1,715 4,720 2,722 6,727 1,741 22,743 8,744 1,745 15,747 23,748 10,749 6,750 2,751 4,752 2,754 1,756 2,757 3,763 1,772 8,773 2,777 2,782 2,786 2,790 1,793 8,794 3,796 4,797 1,798 1,802 1,808 0.5,809 2,828 1,829 1,832 1,844 1,859 1,867 1,868 14,876 2,881 1,892 1,893 9.1,896 2,901 7.667,902 4.01,903 3.222,904 1.292,907 1.482,908 1.259,909 0.993,910 2.651,911 7.199,912 3.045,913 3.57,914 4.171,915 4.672,916 5.124,917 5.165,918 5.351,919 5.418,920 5.041,921 4.627,922 0.75,923 22,924 5.2,925 0.002,926 2.239,927 0.026,929 8.056,931 9.71,932 0.001,933 7.881,934 -0.001,936 2.556,937 35.787,938 0.004,941 94.169,942 113.582,943 3.124,945 50.29,947 56.782,948 56.8,949 144.459,950 3.124,952 6.239,953 37.905,954 60.128,955 5.942,957 94.169,958 56.782,959 94.169,960 59.924,961 50.29,963 56.782,964 94.169,965 50.29,968 6.239,969 53.685,971 56.782,972 94.169,973 53.414,974 56.8,975 56.782,977 94.169,978 18.895,979 97.811,981 50.29,982 94.169,983 53.414,984 56.8,985 56.782,986 0.57,987 0.365,988 0.216,989 0.119,990 11,991 5,992 0.043,993 1,994 1,995 1.222,996 2.532,997 90.555,998 0.222,999 9,1000 53.303,1005 9.801,1006 3.787,1007 1.519,1009 53.414,1010 7.121,1015 1.279,1018 261.165,1019 20,1024 23.013,1028 -0.784,1031 22.36,1032 24.299,1034 0.396,1035 0.735,1036 0.857,1037 0.939,1038 0.959,1039 0.959,1040 4.27,1041 -0.505,1042 5.165,1043 0.31,1044 3.761,1045 4.248,1046 1.356,1047 6.052,1048 3.704,1049 5.465,1050 -0.831,1051 6.777,1052 -0.985,1053 3.434,1054 4.06,1055 0.325,1056 7.13,1057 3.416,1058 6.778,1059 -1,1060 8.5,1061 -1.824,1062 5.407,1063 6.381,1064 1.511,1065 10.308,1066 5.343,1067 8.136,1068 -1.361,1069 10.287,1070 -2.277,1071 5.969,1072 7.052,1073 0.653,1074 12.241,1075 5.925,1076 9.535,1077 -1.701,1078 12.113,1079 -3.5,1080 7.431,1081 8.856,1082 1.739,1083 14.943,1084 7.353,1085 10.962,1086 -1.867,1087 13.965,1088 -4.895,1089 8.379,1090 9.917,1091 1.001,1092 17.206,1093 8.306,1094 12.413,1095 -1.911,1096 15.835,1097 -5.314,1098 9.661,1099 11.514,1100 1.993,1101 19.752,1102 9.566,1103 3.302,1104 -2,1105 17.719,1106 -7.022,1107 10.764,1108 12.757,1109 1.37,1110 22.141,1111 10.664,1112 2.183,1113 11.717,1114 19.614,1115 -7.18,1116 11.986,1117 14.264,1118 2.264,1119 24.633,1120 11.871,1121 2.097,1122 7.026,1123 21.517,1124 4.128,1125 13.147,1126 15.594,1127 1.754,1128 27.068,1129 13.022,1130 1.355,1131 6.6,1132 23.428,1133 2.966,1134 14.35,1135 17.057,1136 2.551,1137 29.54,1138 14.212,1139 1.256,1140 2.965,1141 25.344,1142 2.49,1143 15.532,1144 18.43,1145 2.143,1146 31.992,1147 15.384,1148 0.819,1149 2.705,1150 27.264,1151 1.97,1152 16.729,1153 19.872,1154 2.851,1155 34.457,1156 16.568,1157 0.165,1158 1.674,1159 29.189,1160 1.486,1161 17.919,1162 21.266,1163 2.535,1164 36.915,1165 17.747,1166 1201,1167 2479,1168 9.652,1169 17.619,1170 22.928,1171 24.932,1172 24.099,1173 22.59,1174 22.351,1175 28.695,1176 2.986,1177 65.993,1178 21.192,1179 5.457,1180 5.977,1181 6.726,1182 5.308,1183 5.302,1184 7.128,1185 2.293,1186 18.896,1187 5.264,1188 6.931,1189 1.529,1190 1.662,1191 1.607,1192 1.506,1193 1.49,1194 1.913,1195 0.199,1196 4.4,1197 1.413,1198 4.015,1199 4.037,1200 10.696,1201 3.94,1202 7.497,1203 3.93,1204 3.526,1205 3.578,1206 3.978,1207 3.792,1208 7.352,1209 3.404,1210 3.325,1211 3.343,1212 3.409,1213 3.256,1214 4.713,1215 3.199,1216 2.887,1217 2.944,1218 3.077,1219 2.846,1220 4.039,1221 2.757,1222 2.605,1223 2.613,1224 2.685,1225 2.594,1226 3.625,1227 2.443,1228 2.509,1229 2.578,1230 2.544,1231 2.417,1232 3.594,1233 2.301,1234 2.234,1235 2.275,1236 2.313,1237 1.939,1238 2.948,1239 1.932,1240 1.55,1241 1.723,1242 1.738,1243 1.589,1244 2.378,1245 1.146,1246 0.306,1247 0.265,1248 0.464,1249 0.286,1250 0.22,1251 4.583,1252 0.275,1253 3.977,1254 0.08,1255 6.967,1256 0.781,1257 4.29,1258 0.218,1259 3.302,1260 4.128,1261 1.2,1262 11.717,1263 3.264,1264 1.882,1265 1.859,1266 1.985,1267 1.965,1268 1.139,1269 1.974,1270 1.556,1271 1.512,1272 1.701,1273 1.758,1274 1.014,1275 1.753,1276 1.25,1277 1.237,1278 1.329,1279 1.441,1280 0.351,1281 1.43,1282 0.882,1283 0.837,1284 1.079,1285 1.052,1286 0.227,1287 1.07,1288 0.773,1289 0.72,1290 1.006,1291 0.975,1292 0.101,1293 1.005,1294 0.351,1295 0.242,1296 0.775,1297 0.634,1299 0.715,1302 0.312,1303 0.433,1305 0.355,1308 0.3,1309 0.047,1311 0.145,1312 3.434,1314 4.745,1315 2.398,1316 6.282,1317 4.949,1318 7.921,1319 7.195,1320 9.613,1325 2.188,1328 1.424,1333 1.546,1340 15.875,1341 38.888,1342 72.107,1343 84.107,1344 92.107,1345 94.107,1346 94.107,1347 24.165,1348 5.717,1349 39.07,1350 39.07,1351 11,1352 12.021,1353 3.17,1354 2.585,1355 21.083,1356 29,1357 30,1358 0.415,1359 109.642,1360 186.6,1361 259.286,1362 1570,1363 4.5,1364 10.129,1365 0.724,1366 0.68,1367 11.629,1368 9.523,1369 6.753,1370 0.45,1371 0.386,1372 4.307,1373 5.841,1374 4.131,1375 3.369,1376 7.814,1377 5.792,1378 5.783,1379 0.275,1380 0.194,1381 6.533,1382 4.071,1383 5.227,1384 0.174,1385 0.089,1386 5.66,1387 2.669,1388 4.353,1389 0.109,1390 0.051,1391 4.853,1392 2.037,1393 3.453,1394 0.075,1395 0.032,1396 4.169,1397 1.454,1398 0.587,1399 58.828,1400 0.322,1401 13.679,1402 1.347,1403 72,1404 246.765,1405 208.843,1406 273.257,1407 351.22,1408 254,1409 87,1410 219.449,1411 125.439,1412 228.231,1413 340.34,1414 215,1415 4}
{0 CHEMBL377037,1 1.381,2 9.407,3 3.77,4 14.212,5 103.637,6 6.44,7 0.207,8 4.121,9 4.244,10 3.536,11 3.646,12 5.127,13 3.593,14 4.728,15 4.909,16 3.939,17 4.117,18 5.706,19 4.025,20 5.111,21 5.341,22 4.042,23 4.306,24 6.004,25 4.181,26 5.273,27 5.53,28 4.062,29 4.306,30 6.249,31 4.188,32 5.193,33 5.425,34 4.121,35 4.279,36 6.313,37 4.187,38 5.247,39 5.466,40 4.106,41 4.327,42 6.432,43 4.214,44 5.32,45 5.6,46 3.827,47 4.296,48 6.211,49 4.115,50 5.114,51 5.408,52 3.664,53 4.115,54 5.936,55 3.929,56 0.062,57 0.781,58 13.883,59 6.14,60 12.055,61 8.248,62 0.266,63 1.341,64 25.783,65 10.775,66 55.19,67 15.002,68 0.312,69 1.798,70 38.352,71 14.056,72 51.366,73 20.367,74 0.6,75 1.89,76 46.381,77 14.767,78 106.771,79 21.499,80 0.605,81 1.785,82 42.954,83 13.88,84 118.775,85 19.868,86 0.846,87 1.854,88 45.54,89 15.147,90 158.89,91 21.264,92 0.659,93 1.888,94 48.205,95 16.148,96 121.378,97 23.346,98 0.415,99 1.562,100 38.626,101 13.572,102 72.737,103 19.795,104 38,105 42,106 0.229,107 0.533,108 0.721,109 0.822,110 0.822,111 0.822,112 3.341,113 1.052,114 -4.11,115 -4.05,116 -3.84,121 37.9,122 1,123 9,124 1,125 1,127 1,132 1,144 4,145 2,160 2,170 1,174 1,176 18,177 1,180 2,183 2,185 4,187 22,188 2,192 5,196 1,197 9,200 14,201 2,206 7,211 9,214 10,215 3,219 6,220 1,222 1,224 9,225 1,227 13,228 2,231 1,232 5,235 2,236 1,237 8,239 18,244 3,249 4,251 18,252 2,256 2,261 3,262 1,264 16,265 2,269 2,272 1,273 1,274 3,277 12,278 2,281 1096,282 18.06,283 18.06,284 18.06,285 18.06,286 18.06,287 17.009,288 17.768,289 10.46,290 18.109,291 14.136,292 14.136,293 14.136,294 14.136,295 14.136,296 12.541,297 23.522,298 4.688,299 14.222,300 4.477,301 2.65,302 1.518,303 0.91,304 0.91,305 0.91,306 4.014,311 1,312 1,313 532,314 4.583,317 146.602,318 84.736,321 124.432,325 1.385,326 39.077,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 58.5,338 254,339 4.618,340 4.049,341 7.641,342 4.545,343 3.551,344 3.915,345 2.341,346 13.974,347 3.533,348 4.456,349 3.717,350 7.259,351 4.362,352 3.373,353 3.671,354 1.907,355 12.917,356 3.327,357 3.913,358 3.567,359 6.024,360 3.659,361 2.657,362 3.129,363 0.149,364 8.595,365 2.649,366 3.824,367 2.808,368 5.901,369 3.589,370 2.597,371 2.981,373 8.055,374 2.571,375 3.004,376 2.639,377 4.871,378 2.722,379 1.703,380 2.071,382 4.541,383 1.723,384 2.879,385 2.024,386 4.532,387 2.532,388 1.532,389 2.012,391 4.397,392 1.532,393 2.86,394 1.821,395 3.962,396 2.443,397 1.437,398 1.954,400 3.136,401 1.43,402 2.654,403 1.482,404 3.672,405 2.412,406 1.413,407 1.607,409 3.001,410 1.41,411 2.285,412 1.369,413 3.618,414 2.215,415 1.208,416 1.261,418 2.628,419 1.211,420 1.846,421 1.152,422 3.613,423 1.743,424 0.739,425 0.781,427 1.464,428 0.735,429 1.618,430 1.016,431 3.441,432 1.618,433 0.618,434 0.618,436 1.373,437 0.618,438 1.569,439 0.618,440 3.376,441 1.347,442 0.453,443 0.463,445 0.897,446 0.39,447 1.489,448 0.547,449 3.347,450 1.327,451 0.347,452 0.412,454 0.637,455 0.347,456 0.981,457 0.474,458 3.011,459 0.697,460 -0.301,461 -0.316,463 -0.622,464 -0.298,465 0.683,466 0.414,467 2.47,468 0.663,469 -0.344,470 -0.386,472 -0.932,473 -0.345,474 12.733,475 0.472,476 0.738,477 0.027,478 25,479 0.926,480 9,481 0.333,482 16,483 0.593,484 32.859,485 1.217,486 31.667,487 0.546,488 18.32,489 0.679,490 4.089,491 0.151,492 8.845,493 0.328,494 0.144,495 0.079,496 0.196,501 0.784,502 1.214,503 0.959,504 1.153,505 0.706,506 1.091,507 0.473,508 1.214,509 0.913,510 1.16,511 0.472,512 1.115,513 0.732,514 1.256,515 1.026,516 1.211,517 0.716,518 1.165,519 1.294,520 0.957,521 1.012,522 0.905,523 1.308,524 0.908,525 1.299,526 1.027,527 1.02,528 0.981,529 1.348,530 0.954,531 1.284,532 1.085,533 1.171,534 1.112,535 1.298,536 1.124,537 1.165,538 0.882,539 1.056,540 0.912,541 1.143,542 0.962,543 0.809,544 0.868,545 0.887,546 0.907,547 0.813,548 0.909,549 7.5,550 0.086,551 3.778,552 2.639,553 2.152,554 1.024,555 0.867,556 0.466,557 0.243,558 0.189,559 7555,560 17846,561 1.996,562 53.4,563 17,564 6,567 3,568 1,569 4,572 1.708,573 1.841,574 3.218,575 0.872,577 1,582 80.075,583 1.381,584 3.208,585 4.34,586 4.948,587 4.948,588 4.948,589 2.672,590 4.088,591 4.728,592 3.361,593 1179.57,594 8.245,595 14758,597 1,599 1,600 339.763,601 1.65,602 4.655,603 0.259,604 0.007,605 0.09,606 0.061,607 0.05,608 0.022,609 0.02,610 0.015,611 0.009,612 0.009,613 0.541,614 0.33,615 1,616 1.507,617 131.442,618 -0.072,619 0.081,620 0.009,621 0.095,622 -0.048,623 0.069,624 0.15,625 -0.03,626 0.031,628 0.115,629 -0.006,630 0.011,631 -0.164,632 -0.068,633 -0.167,634 -0.016,635 -0.135,636 -0.121,637 0.022,638 0.004,639 0.038,640 -0.131,641 0.042,642 -0.047,643 -0.011,644 0.011,645 -0.008,646 -0.018,647 0.011,648 0.034,649 -0.075,650 -0.135,651 -0.121,652 0.056,653 -0.151,654 -0.123,655 0.033,656 -0.072,657 0.026,658 -0.102,659 -0.01,660 -0.016,661 0.049,662 0.06,663 0.043,664 -0.037,665 0.062,666 2.471,667 6.386,668 0.519,669 21.726,670 0.994,671 1.13,672 2.879,673 8.287,674 0.625,675 3.401,676 3.761,677 4.043,678 4.304,679 4.489,680 4.511,681 4.543,682 4.625,683 4.466,684 4.431,685 5.766,686 0.582,687 373.54,688 3.401,689 4.963,690 5.826,691 6.737,692 7.63,693 8.547,694 9.45,695 10.369,696 11.278,697 12.197,698 1.7,705 1,715 4,720 2,722 6,741 58,743 8,744 1,745 29,747 60,748 22,749 6,750 2,751 4,756 3,757 4,763 2,764 1,766 1,767 6,768 1,770 9,772 8,773 14,774 2,777 2,782 2,786 2,790 1,793 31,794 5,795 3,796 5,802 1,808 0.667,809 4,810 1,828 2,829 1,832 1,843 1,845 1,857 2,859 2,864 1,868 27,875 2,876 10,877 1,880 1,882 2,893 6.9,894 1,895 1,896 2,901 14.667,902 10.15,903 6.097,904 3.9,907 1.157,908 1.167,909 0.883,910 6.149,911 8.066,912 3.555,913 4.034,914 4.44,915 4.851,916 5.233,917 5.288,918 5.473,919 5.732,920 5.622,921 5.739,922 1,923 43,924 10.207,926 4.537,927 0.026,929 7.87,931 19.659,933 17.155,936 2.37,937 64,939 1,940 1,941 329.591,942 81.527,943 18.011,945 135.657,948 81.527,949 465.247,950 18.011,951 8.825,952 40.822,953 80.588,954 98.588,955 6.371,957 329.591,959 329.591,960 99.537,961 135.657,964 282.506,965 140.058,966 42.683,968 49.647,969 49.891,972 329.591,973 153.667,974 81.527,977 329.591,978 34.796,979 46.73,980 18.011,981 135.657,982 329.591,983 153.667,984 81.527,986 0.58,987 0.354,988 0.192,989 0.106,990 20,991 9,992 0.133,993 8,994 1,995 1.143,996 3.658,997 234.762,998 0.143,999 14,1000 116.382,1005 20.196,1006 8.22,1007 4.158,1009 153.667,1010 8.057,1015 2.337,1017 103.377,1018 564.785,1019 34,1024 25.068,1028 -0.87,1031 57.665,1032 65.564,1034 0.236,1035 0.548,1036 0.741,1037 0.845,1038 0.845,1039 0.845,1040 4.848,1041 1.413,1042 5.883,1043 3.136,1044 4.443,1045 4.718,1046 2.748,1047 6.821,1048 4.43,1049 6.05,1050 1.208,1051 7.535,1052 3.001,1053 4.369,1054 4.663,1055 2.591,1056 8.363,1057 4.35,1058 7.394,1059 0.739,1060 9.312,1061 2.628,1062 6.24,1063 6.753,1064 4.005,1065 11.399,1066 6.211,1067 8.775,1068 0.618,1069 11.166,1070 1.464,1071 7.004,1072 7.472,1073 4.392,1074 13.706,1075 6.964,1076 10.192,1077 0.453,1078 13.069,1079 1.373,1080 8.421,1081 9.117,1082 5.469,1083 16.405,1084 8.374,1085 11.631,1086 0.347,1087 15.004,1088 0.897,1089 9.491,1090 10.145,1091 6.092,1092 18.929,1093 9.435,1094 13.086,1095 -0.301,1096 16.961,1097 0.637,1098 10.778,1099 11.634,1100 7.032,1101 21.557,1102 10.713,1103 3.551,1104 -0.344,1105 18.933,1106 -0.622,1107 11.958,1108 12.802,1109 7.767,1110 24.143,1111 11.885,1112 3.373,1113 13.974,1114 20.916,1115 -0.932,1116 13.209,1117 14.226,1118 8.649,1119 26.758,1120 13.13,1121 2.657,1122 12.917,1123 22.907,1124 3.915,1125 14.43,1126 15.466,1127 9.44,1128 29.364,1129 14.343,1130 2.597,1131 8.595,1132 24.903,1133 3.671,1134 15.675,1135 16.856,1136 10.299,1137 31.979,1138 15.581,1139 1.703,1140 8.055,1141 26.905,1142 3.129,1143 16.911,1144 18.138,1145 11.117,1146 34.593,1147 16.811,1148 1.532,1149 4.541,1150 28.91,1151 2.981,1152 18.157,1153 19.512,1154 11.967,1155 37.209,1156 18.051,1157 1.437,1158 4.397,1159 30.918,1160 2.071,1161 19.402,1162 20.819,1163 12.8,1164 39.827,1165 19.289,1166 7545,1167 11645,1168 18.663,1169 36.245,1170 43.547,1171 45.005,1172 47.433,1173 43.203,1174 43.257,1175 49.751,1176 8.794,1177 131.232,1178 42.953,1179 5.607,1180 6.049,1181 7.403,1182 5.587,1183 5.551,1184 6.915,1185 3.925,1186 21.643,1187 5.533,1188 14.682,1189 1.502,1190 1.552,1191 1.636,1192 1.49,1193 1.492,1194 1.716,1195 0.303,1196 4.525,1197 1.481,1198 4.059,1199 4.092,1200 3.988,1201 3.985,1202 7.474,1203 3.98,1204 3.941,1205 3.978,1206 3.847,1207 3.853,1208 7.428,1209 3.845,1210 3.708,1211 3.759,1212 3.585,1213 3.57,1214 6.456,1215 3.56,1216 3.575,1217 3.624,1218 3.466,1219 3.435,1220 6.351,1221 3.435,1222 3.391,1223 3.449,1224 3.22,1225 3.198,1226 4.75,1227 3.188,1228 3.226,1229 3.253,1230 3.125,1231 2.98,1232 4.296,1233 3.01,1234 3.037,1235 3.096,1236 2.858,1237 2.847,1238 4.125,1239 2.827,1240 2.964,1241 3.036,1242 2.8,1243 2.794,1244 4.1,1245 2.798,1246 0.159,1247 0.14,1248 0.263,1249 0.157,1250 0.122,1251 4.618,1252 0.135,1253 4.049,1254 0.081,1255 7.641,1256 0.482,1257 4.545,1258 0.122,1259 3.551,1260 3.915,1261 2.341,1262 13.974,1263 3.533,1264 1.896,1265 1.871,1266 2.031,1267 1.998,1268 1.426,1269 2.006,1270 1.849,1271 1.812,1272 2.012,1273 1.964,1274 1.24,1275 1.982,1276 1.691,1277 1.643,1278 1.892,1279 1.878,1280 1.211,1281 1.884,1282 1.578,1283 1.523,1284 1.86,1285 1.751,1286 1.172,1287 1.793,1288 1.577,1289 1.507,1290 1.818,1291 1.743,1292 1.171,1293 1.772,1294 1.297,1295 1.247,1296 1.572,1297 1.556,1298 0.807,1299 1.55,1300 1.067,1301 1.007,1302 1.348,1303 1.286,1304 0.528,1305 1.283,1306 0.961,1307 0.896,1308 1.304,1309 1.233,1310 0.449,1311 1.276,1312 4.078,1314 5.425,1315 3.045,1316 6.973,1317 5.416,1318 8.611,1319 7.545,1320 10.297,1322 1.98,1327 19.698,1328 6.318,1329 3.176,1332 -0.482,1334 -1.283,1340 33.783,1341 80.075,1342 186.072,1343 251.705,1344 287.008,1345 287.008,1346 287.008,1347 84.587,1348 6.909,1349 86.63,1350 86.63,1351 16,1352 12.708,1353 3.17,1354 2.585,1355 46.634,1356 92,1357 94,1358 0.249,1359 207.764,1360 374.14,1361 498.704,1362 7482,1364 19.493,1365 0.722,1366 0.599,1367 19.493,1368 16.169,1369 12.934,1370 0.446,1371 0.351,1372 10.085,1373 12.592,1374 9.821,1375 8.133,1376 12.934,1377 10.166,1378 11.738,1379 0.279,1380 0.203,1381 11.738,1382 8.53,1383 9.862,1384 0.176,1385 0.116,1386 9.862,1387 6.523,1388 8.025,1389 0.11,1390 0.069,1391 8.025,1392 5.016,1393 6.37,1394 0.072,1395 0.038,1396 6.37,1397 3.338,1398 0.38,1399 80.425,1400 0.231,1401 25.374,1402 0.721,1403 142,1404 362.103,1405 152.469,1406 346.434,1407 454.64,1408 320,1409 169,1410 313.072,1411 178.862,1412 318.938,1413 466.62,1414 299,1415 5.523}
{0 CHEMBL377041,1 1.377,2 11.679,3 4.077,4 16.621,5 110.307,6 6.235,7 0.2,8 4.178,9 4.314,10 3.576,11 3.691,12 5.126,13 3.631,14 4.795,15 4.997,16 3.933,17 4.139,18 5.719,19 4.037,20 5.154,21 5.406,22 3.965,23 4.303,24 5.962,25 4.153,26 5.257,27 5.534,28 3.984,29 4.279,30 6.14,31 4.143,32 5.188,33 5.431,34 4.069,35 4.295,36 6.175,37 4.184,38 5.274,39 5.515,40 4.04,41 4.341,42 6.359,43 4.199,44 5.296,45 5.594,46 3.725,47 4.261,48 6.076,49 4.056,50 5.106,51 5.428,52 3.541,53 4.041,54 5.829,55 3.831,56 0.064,57 0.861,58 15.145,59 6.3,60 9.069,61 8.89,62 0.316,63 1.451,64 28.127,65 10.715,66 46.797,67 15.69,68 0.325,69 1.839,70 39.931,71 14.314,72 37.735,73 21.19,74 0.552,75 1.859,76 44.963,77 14.124,78 78.586,79 21.28,80 0.523,81 1.807,82 42.332,83 13.888,84 73.087,85 20.338,86 0.835,87 1.914,88 46.315,89 15.313,90 137.874,91 22.295,92 0.551,93 1.886,94 46.022,95 14.881,96 80.303,97 22.683,98 0.384,99 1.522,100 37.493,101 12.364,102 51.481,103 18.971,104 24,105 41,106 0.225,107 0.501,108 0.708,109 0.844,110 0.851,111 0.851,112 3.374,113 1.082,114 -4.32,115 -4.26,116 -4.02,121 37.1,122 1,123 8,124 1,125 1,127 3,129 1,144 5,145 1,160 2,170 1,174 1,176 16,177 1,180 4,183 2,185 3,187 17,188 2,192 7,195 1,197 5,200 10,201 2,206 8,211 5,214 8,215 3,218 1,219 6,220 1,224 5,225 1,227 10,228 2,231 1,232 6,235 2,236 1,237 5,239 9,244 5,249 3,251 5,252 1,256 4,257 1,261 2,264 6,268 1,269 3,272 1,277 12,281 1302,282 18.861,283 18.861,284 18.861,285 18.861,286 18.861,287 17.811,288 23.015,289 11.353,290 19,291 14.765,292 14.765,293 14.765,294 14.765,295 14.765,296 13.207,297 35.597,298 5.281,299 14.98,300 4.577,301 2.897,302 1.631,303 0.799,304 0.754,305 0.754,306 4.051,311 1,312 1,313 685,314 4.301,317 181.961,318 108.68,325 1.773,326 32.173,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 60,338 327,339 4.564,340 4.026,341 7.627,342 4.506,343 3.503,344 3.67,345 2.341,346 13.9,347 3.511,348 3.952,349 3.711,350 5.905,351 3.741,352 2.788,353 3.457,354 1.907,355 8.181,356 2.669,357 3.841,358 3.075,359 5.73,360 3.651,361 2.65,362 2.998,363 0.916,364 8.034,365 2.632,366 3.661,367 2.76,368 5.363,369 3.445,370 2.456,371 2.71,372 0.172,373 7.022,374 2.423,375 3.141,376 2.564,377 4.952,378 2.923,379 1.966,380 2.208,381 0.149,382 5.595,383 1.876,384 2.905,385 2.059,386 4.588,387 2.602,388 1.596,389 2.001,391 4.077,392 1.596,393 2.657,394 2.021,395 3.962,396 2.442,397 1.436,398 1.642,400 3.133,401 1.428,402 2.648,403 1.502,404 3.618,405 2.373,406 1.383,407 1.607,409 3.008,410 1.366,411 2.5,412 1.369,413 3.597,414 2.18,415 1.17,416 1.5,418 2.596,419 1.176,420 2.277,421 1.016,422 3.572,423 2,424 1,425 1.244,427 2.136,428 1,429 1.846,430 1,431 3.287,432 1.75,433 0.755,434 0.786,436 1.738,437 0.745,438 1.745,439 0.868,440 3.247,441 1.691,442 0.701,443 0.723,445 1.464,446 0.691,447 1.618,448 0.618,449 3.143,450 1.618,451 0.618,452 0.618,454 1.36,455 0.618,456 1.129,457 0.459,458 2.868,459 0.904,460 -0.067,461 -0.076,463 -0.179,464 -0.065,465 0.854,466 0.413,467 2.65,468 0.675,469 -0.324,470 -0.325,472 -0.628,473 -0.323,474 13.3,475 0.475,476 0.651,477 0.023,478 26,479 0.929,480 9,481 0.321,482 17,483 0.607,484 32.868,485 1.174,486 32.9,487 0.531,488 18.056,489 0.645,490 4.338,491 0.155,492 9.183,493 0.328,494 0.113,495 0.038,496 0.218,501 0.748,502 1.394,503 0.982,504 1.241,505 0.624,506 1.153,507 0.544,508 1.23,509 1.007,510 1.169,511 0.393,512 1.141,513 0.806,514 1.216,515 1.052,516 1.199,517 0.768,518 1.16,519 1.353,520 0.91,521 0.988,522 0.855,523 1.385,524 0.867,525 1.401,526 1.02,527 1.059,528 0.995,529 1.487,530 0.983,531 1.301,532 1.11,533 1.164,534 1.101,535 1.384,536 1.121,537 1.124,538 0.968,539 1.084,540 0.956,541 1.047,542 1.004,543 0.794,544 0.841,545 0.854,546 0.849,547 0.7,548 0.85,549 6.5,550 0.101,551 2.889,552 2.007,553 1.556,554 0.865,555 0.636,556 0.306,557 0.268,558 0.194,559 9590,560 20731,561 2.025,562 54.8,563 17,564 12,567 2,568 1,570 2,572 1.711,573 1.898,574 3.481,575 0.176,577 1,582 85.39,583 1.377,584 3.057,585 4.323,586 5.156,587 5.2,588 5.2,589 2.937,590 4.164,591 4.777,592 3.659,593 1383.02,594 8.311,595 18559,597 1,600 369.16,601 1.486,602 4.731,603 0.217,604 0.005,605 0.07,606 0.051,607 0.039,608 0.02,609 0.016,610 0.011,611 0.011,612 0.008,613 0.448,614 0.17,615 1,616 1.36,617 141.425,618 -0.035,619 -0.064,620 0.032,621 0.015,622 -0.016,623 0.028,624 0.152,625 -0.023,626 -0.018,627 -0.042,628 0.157,629 -0.049,630 -0.004,631 -0.158,632 -0.078,633 -0.17,634 -0.023,635 -0.139,636 -0.115,637 0.056,638 0.03,639 0.078,640 -0.123,641 0.075,642 -0.079,643 0.004,644 -0.019,645 -0.007,646 -0.085,647 -0.004,648 0.079,649 -0.117,650 -0.126,651 -0.112,652 0.079,653 -0.145,654 -0.121,655 -0.032,656 -0.106,657 -0.034,658 -0.083,659 -0.064,660 0.001,661 0.058,662 0.091,663 0.056,664 0.026,665 0.085,666 2.421,667 6.228,668 0.571,669 28.071,670 0.989,671 1.133,672 3.094,673 9.57,674 0.622,675 3.434,676 3.738,677 3.97,678 4.19,679 4.29,680 4.29,681 4.331,682 4.369,683 4.331,684 4.369,685 6.832,686 0.574,687 386.59,688 3.434,689 4.963,690 5.796,691 6.668,692 7.527,693 8.405,694 9.274,695 10.155,696 11.03,697 11.914,698 3.2,701 1,705 1,715 5,720 1,722 6,741 62,743 8,744 1,745 30,747 64,748 23,749 6,750 1,751 5,756 3,757 3,763 1,764 1,766 1,767 6,770 9,772 8,773 15,774 1,777 2,782 2,786 2,790 1,793 34,794 5,795 2,796 5,802 2,808 1,809 3,825 1,828 2,829 1,843 1,845 1,855 1,857 1,859 3,864 1,868 28,875 1,876 11,877 1,880 2,881 1,882 1,893 4.8,895 1,896 2,901 14.75,902 10.817,903 6.319,904 4.253,907 1.006,908 1.145,909 0.908,910 7.394,911 7.945,912 3.584,913 3.998,914 4.341,915 4.669,916 4.959,917 4.827,918 4.901,919 5.055,920 5.122,921 5.289,922 0.875,923 39,924 10.543,926 4.535,927 0.026,929 7.711,931 20.678,933 17.693,936 2.211,937 61.917,940 1,941 376.675,942 91.6,943 21.135,945 92.973,948 91.6,949 469.648,950 21.135,951 8.825,952 44.604,953 47.381,954 98.588,955 6.31,957 376.675,959 376.675,960 112.735,961 92.973,964 353.133,965 116.515,968 56.554,969 56.181,972 376.675,973 114.108,974 91.6,977 376.675,978 35.393,979 59.331,980 18.011,981 92.973,982 376.675,983 114.108,984 91.6,986 0.571,987 0.332,988 0.179,989 0.093,990 18,991 8,992 0.141,993 9,995 1,996 3.946,997 232.674,999 16,1000 126.606,1005 21.17,1006 9.779,1007 5.51,1009 114.108,1010 10.423,1015 1.297,1017 60.694,1018 582.383,1019 35,1024 24.893,1028 -0.658,1031 61.323,1032 70.268,1034 0.231,1035 0.513,1036 0.726,1037 0.866,1038 0.873,1039 0.873,1040 4.84,1041 1.383,1042 5.796,1043 3.133,1044 4.419,1045 4.682,1046 2.84,1047 6.635,1048 4.391,1049 5.987,1050 1.17,1051 7.378,1052 3.008,1053 4.111,1054 4.388,1055 2.619,1056 7.938,1057 4.078,1058 7.275,1059 1,1060 9.085,1061 2.596,1062 6.075,1063 6.581,1064 4.023,1065 10.993,1066 6.027,1067 8.598,1068 0.755,1069 10.877,1070 2.136,1071 6.661,1072 7.092,1073 4.398,1074 13.228,1075 6.622,1076 9.962,1077 0.701,1078 12.73,1079 1.738,1080 8.11,1081 8.803,1082 5.472,1083 15.932,1084 8.061,1085 11.352,1086 0.618,1087 14.627,1088 1.464,1089 9.075,1090 9.654,1091 6.093,1092 18.456,1093 9.041,1094 12.764,1095 -0.067,1096 16.558,1097 1.36,1098 10.361,1099 11.182,1100 7.032,1101 21.097,1102 10.324,1103 3.503,1104 -0.324,1105 18.514,1106 -0.179,1107 11.486,1108 12.195,1109 7.768,1110 23.7,1111 11.463,1112 2.788,1113 13.9,1114 20.489,1115 -0.628,1116 12.728,1117 13.637,1118 8.65,1119 26.332,1120 12.707,1121 2.65,1122 8.181,1123 22.478,1124 3.67,1125 13.92,1126 14.741,1127 9.44,1128 28.955,1129 13.91,1130 2.456,1131 8.034,1132 24.478,1133 3.457,1134 15.155,1135 16.132,1136 10.299,1137 31.587,1138 15.151,1139 1.966,1140 7.022,1141 26.486,1142 2.998,1143 16.378,1144 17.293,1145 11.117,1146 34.216,1147 16.382,1148 1.596,1149 5.595,1150 28.5,1151 2.71,1152 17.616,1153 18.652,1154 11.967,1155 36.848,1156 17.626,1157 1.436,1158 4.077,1159 30.518,1160 2.208,1161 18.853,1162 19.852,1163 12.8,1164 39.479,1165 18.869,1166 9436,1167 13940,1168 19.761,1169 38.557,1170 44.375,1171 45.225,1172 46.385,1173 44.102,1174 44.046,1175 50.326,1176 10.971,1177 124.487,1178 43.459,1179 5.564,1180 6.026,1181 7.429,1182 5.558,1183 5.503,1184 6.67,1185 3.925,1186 21.295,1187 5.511,1188 13.729,1189 1.479,1190 1.507,1191 1.546,1192 1.47,1193 1.468,1194 1.678,1195 0.366,1196 4.15,1197 1.449,1198 4.009,1199 4.056,1200 3.917,1201 3.899,1202 7.474,1203 3.896,1204 3.92,1205 3.961,1206 3.834,1207 3.841,1208 7.428,1209 3.834,1210 3.787,1211 3.842,1212 3.675,1213 3.645,1214 6.351,1215 3.645,1216 3.704,1217 3.756,1218 3.575,1219 3.568,1220 4.757,1221 3.557,1222 3.395,1223 3.454,1224 3.228,1225 3.201,1226 4.378,1227 3.193,1228 3.311,1229 3.363,1230 3.207,1231 3.062,1232 4.26,1233 3.085,1234 3.119,1235 3.182,1236 2.964,1237 2.953,1238 4.112,1239 2.953,1240 2.959,1241 3.019,1242 2.785,1243 2.735,1244 3.843,1245 2.715,1246 0.152,1247 0.134,1248 0.254,1249 0.15,1250 0.117,1251 4.564,1252 0.122,1253 4.026,1254 0.078,1255 7.627,1256 0.463,1257 4.506,1258 0.117,1259 3.503,1260 3.67,1261 2.341,1262 13.9,1263 3.511,1264 1.912,1265 1.881,1266 2.043,1267 2.007,1268 1.425,1269 2.02,1270 1.846,1271 1.809,1272 2.03,1273 1.992,1274 1.217,1275 2.003,1276 1.654,1277 1.598,1278 1.884,1279 1.849,1280 1.211,1281 1.861,1282 1.577,1283 1.507,1284 1.86,1285 1.751,1286 1.196,1287 1.793,1288 1.548,1289 1.484,1290 1.809,1291 1.722,1292 1.166,1293 1.755,1294 1.479,1295 1.4,1296 1.713,1297 1.708,1298 0.954,1299 1.72,1300 1.295,1301 1.246,1302 1.571,1303 1.553,1304 0.807,1305 1.548,1306 1.023,1307 0.952,1308 1.333,1309 1.254,1310 0.55,1311 1.275,1312 4.111,1314 5.416,1315 3.045,1316 6.905,1317 5.283,1318 8.48,1319 7.273,1320 10.104,1322 2.011,1327 9.582,1328 9.413,1329 3.29,1332 -0.241,1333 2.388,1334 -0.481,1340 35.616,1341 85.39,1342 189.559,1343 268.041,1344 319.65,1345 322.405,1346 322.405,1347 76.454,1348 6.939,1349 69.64,1350 69.64,1351 16,1352 12.449,1353 3.17,1354 2.585,1355 49.685,1356 113,1357 120,1358 0.212,1359 220.154,1360 393.65,1361 528.937,1362 8758,1364 19.985,1365 0.714,1366 0.608,1367 19.985,1368 17.031,1369 13.521,1370 0.451,1371 0.361,1372 10.73,1373 13.153,1374 10.471,1375 8.693,1376 13.521,1377 10.823,1378 11.988,1379 0.292,1380 0.212,1381 11.988,1382 8.695,1383 9.644,1384 0.185,1385 0.125,1386 9.644,1387 6.522,1388 7.792,1389 0.12,1390 0.077,1391 7.792,1392 4.983,1393 5.727,1394 0.08,1395 0.043,1396 5.727,1397 3.111,1398 0.334,1399 83.878,1400 0.225,1401 26.902,1402 0.577,1403 142,1404 347.599,1405 152.778,1406 334.466,1407 441.13,1408 310,1409 164,1410 306.388,1411 174.671,1412 311.105,1413 450.98,1414 292,1415 5.523}
{0 CHEMBL377283,1 1.537,2 7.947,3 2.251,4 5.067,5 68.203,6 7.314,7 0.286,8 3.708,9 3.805,10 3.262,11 3.168,12 4.762,13 3.175,14 4.302,15 4.45,16 3.684,17 3.584,18 5.418,19 3.575,20 4.511,21 4.691,22 3.677,23 3.696,24 5.508,25 3.659,26 4.55,27 4.753,28 3.47,29 3.592,30 5.58,31 3.527,32 4.317,33 4.522,34 3.297,35 3.359,36 5.402,37 3.301,38 4.095,39 4.297,40 3.065,41 3.182,42 5.091,43 3.107,44 3.986,45 4.207,46 3.02,47 3.064,48 5.09,49 2.981,50 3.958,51 4.193,52 2.769,53 2.902,54 5.102,55 2.813,56 0.061,57 0.49,58 7.826,59 3.548,60 6.127,61 4.391,62 0.503,63 0.788,64 16.258,65 5.968,66 37.426,67 7.673,68 0.347,69 0.929,70 20.435,71 7.325,72 29.484,73 9.546,74 0.544,75 0.88,76 22.725,77 7.162,78 46.664,79 9.407,80 0.475,81 0.708,82 17.889,83 5.499,84 43.38,85 7.429,86 0.384,87 0.58,88 14.118,89 4.532,90 27.859,91 6.145,92 0.297,93 0.536,94 12.467,95 4.083,96 27.995,97 5.885,98 0.442,99 0.487,100 12.926,101 3.318,102 46.28,103 4.848,104 14,105 31,106 0.285,107 0.641,108 0.813,109 0.869,110 0.879,111 0.879,112 3.011,113 0.931,114 -2.84,115 -2.85,116 -2.76,121 38.9,122 2,123 1,125 1,127 2,130 1,144 3,145 1,146 2,161 1,176 5,179 2,180 7,183 2,185 1,187 6,192 8,200 5,206 7,211 2,214 3,218 1,219 5,224 2,227 2,231 1,232 1,237 1,239 2,243 1,244 2,247 1,249 2,251 2,255 1,259 1,264 1,269 1,277 2,281 378,282 12.781,283 12.781,284 12.781,285 12.781,286 12.781,287 11.941,288 19.261,289 7.445,290 13.106,291 10.327,292 10.327,293 10.327,294 10.327,295 10.327,296 8.946,297 22.485,298 3.433,299 10.792,300 3.633,301 1.712,302 0.785,303 0.486,304 0.431,305 0.431,306 3.685,311 1,312 1,313 327,314 3.317,317 66.109,318 37.64,320 53.105,321 57.002,324 79.697,325 1.224,326 21.437,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 42.5,338 151,339 4.755,340 3.956,341 7.887,342 4.642,343 3.649,344 4.153,345 2.186,346 14.705,347 3.621,348 3.957,349 3.662,350 5.984,351 3.604,352 2.657,353 3.281,354 1.392,355 8.24,356 2.514,357 3.633,358 2.774,359 5.411,360 3.285,361 2.334,362 2.842,363 0.532,364 7.033,365 2.193,366 3.302,367 2.546,368 5.249,369 2.937,370 1.983,371 2.506,372 0.366,373 5.916,374 1.874,375 2.965,376 2.411,377 4.773,378 2.795,379 1.825,380 2.041,382 5.27,383 1.764,384 2.421,385 1.571,386 4.117,387 2.117,388 1.143,389 1.402,391 2.971,392 1.112,393 2.145,394 1.511,395 3.647,396 2.018,397 1.06,398 1.138,400 2.506,401 1.004,402 2.118,403 1.156,404 3.195,405 1.979,406 1.019,407 1.075,409 1.715,410 0.969,411 1.48,412 0.891,413 3.075,414 1.211,415 0.277,416 0.312,418 0.696,419 0.256,420 0.953,421 0.481,422 2.838,423 0.699,424 -0.233,425 -0.253,427 -0.546,428 -0.215,429 0.665,430 -0.006,431 2.49,432 0.428,433 -0.575,434 -0.631,436 -1.003,437 -0.559,438 0.607,439 -0.326,440 2.331,441 0.266,442 -0.725,443 -0.853,445 -1.884,446 -0.716,447 0.472,448 -0.563,449 2.15,450 0.153,451 -0.829,452 -1.077,454 -2.597,455 -0.815,456 0.09,457 -0.696,458 1.924,459 -0.097,460 -1.081,461 -1.322,463 -3.036,464 -1.058,465 -0.393,466 -0.956,467 1.711,468 -0.564,469 -1.528,470 -1.63,472 -3.684,473 -1.454,474 8.733,475 0.46,476 0.541,477 0.028,478 21.25,479 1.118,480 8.5,481 0.447,482 12.75,483 0.671,484 15.727,485 0.828,486 21.867,487 0.607,488 13.883,489 0.731,490 4.012,491 0.211,492 5.119,493 0.269,494 0.153,495 0.057,496 0.286,501 0.823,502 1.384,503 0.77,504 1.274,505 0.656,506 1.045,507 0.803,508 0.917,509 0.79,510 0.921,511 0.524,512 0.863,513 1.081,514 1.104,515 0.968,516 1.122,517 0.8,518 1.031,519 1.406,520 0.99,521 1.164,522 0.987,523 1.147,524 1.02,525 1.205,526 1.018,527 1.083,528 0.996,529 1.574,530 1.008,531 1.09,532 1.057,533 1.112,534 1.031,535 1.098,536 1.072,537 0.607,538 1.268,539 0.868,540 1.181,541 0.959,542 1.107,543 1.165,544 0.833,545 1.224,546 0.842,547 2.2,548 0.995,549 5,550 0.02,551 2.889,552 2.049,553 0.796,554 0.497,555 0.36,556 0.24,557 0.139,558 0.049,559 3084,560 8363,561 2.069,562 47.2,563 3,564 7,565 1,567 1,569 5,572 1.603,573 1.916,574 2.955,575 -0.249,577 1,578 1,579 1,582 55.327,583 1.537,584 3.458,585 4.385,586 4.684,587 4.739,588 4.739,589 2.465,590 4.143,591 4.216,592 3.088,593 528.039,594 7.184,595 5043.03,596 1,597 1,599 1,600 186.117,601 1.638,602 4.16,603 0.238,604 0.01,605 0.093,606 0.068,607 0.035,608 0.026,609 0.024,610 0.017,611 0.014,612 0.008,613 0.534,614 0.83,615 1,616 1.538,617 81.34,618 -0.049,619 -0.152,620 0.069,621 -0.114,622 -0.066,623 -0.009,624 0.226,625 0.182,626 0.148,627 0.127,628 0.207,629 0.119,630 -0.117,631 -0.075,632 -0.027,633 -0.097,634 -0.037,635 -0.044,636 -0.24,637 -0.059,638 -0.162,639 -0.024,640 -0.109,641 -0.069,642 -0.082,643 -0.061,644 -0.085,645 -0.046,646 -0.163,647 -0.062,648 -0.047,649 -0.084,650 -0.136,651 -0.06,652 -0.135,653 -0.111,654 0.222,655 -0.28,656 0.082,657 -0.209,658 0.162,659 -0.123,660 -0.027,661 0.151,662 -0.196,663 0.017,664 -0.189,665 -0.101,666 2.106,667 4.431,668 0.632,669 12.72,670 1.013,671 1.129,672 1.613,673 2.601,674 0.637,675 3.091,676 3.466,677 3.784,678 4.094,679 4.263,680 4.369,681 4.543,682 4.585,683 4.522,684 4.466,685 4.72,686 0.614,687 263.32,688 3.091,689 4.654,690 5.533,691 6.454,692 7.362,693 8.293,694 9.216,695 10.152,696 11.083,697 12.023,698 2.8,705 1,715 3,720 3,722 6,737 1,739 1,741 36,743 7,744 1,745 21,747 38,748 14,749 6,750 3,751 3,756 3,757 6,763 2,764 1,766 1,767 1,770 1,772 7,773 7,777 1,782 1,786 1,789 1,790 1,793 17,794 5,795 1,796 5,802 1,808 0.333,809 4,815 1,828 2,829 1,831 1,832 1,835 1,858 1,859 1,864 2,868 19,876 3,877 1,878 3,880 1,882 1,893 11.1,896 1,897 1,898 2,901 9.917,902 7,903 4.153,904 2.326,907 1.32,908 1.195,909 0.935,910 3.149,911 8.078,912 3.258,913 3.795,914 4.294,915 4.831,916 5.298,917 5.528,918 5.887,919 6.103,920 6.071,921 6.062,922 1,923 30,924 7.05,926 3.045,927 0.026,929 7.803,931 13.458,933 11.269,936 2.303,937 43.75,938 0.001,941 188.338,942 76.106,943 18.011,945 58.145,948 76.106,949 246.482,950 18.011,951 17.65,952 27.243,953 28.788,954 36.145,955 35.672,956 18.534,957 176.567,959 188.338,960 94.117,961 58.145,964 129.482,965 106,966 11,967 0.36,968 44.894,969 48.864,972 188.338,973 76.155,974 76.106,977 188.697,978 29.668,979 46.079,980 18.011,981 58.145,982 188.338,983 76.155,984 76.106,986 0.586,987 0.35,988 0.192,989 0.094,990 17,991 7,992 0.079,993 3,994 2,995 1.333,996 3.102,997 144.945,998 0.333,999 12,1000 80.711,1005 12.758,1006 4.689,1007 2.088,1009 76.155,1010 5.439,1015 2.398,1017 18.011,1018 340.599,1019 25,1024 11.431,1028 -0.439,1031 36.48,1032 40.658,1034 0.297,1035 0.669,1036 0.848,1037 0.906,1038 0.917,1039 0.917,1040 4.549,1041 1.019,1042 5.58,1043 2.506,1044 4.143,1045 4.477,1046 2.637,1047 6.521,1048 4.068,1049 5.757,1050 0.277,1051 7.228,1052 1.715,1053 4.007,1054 4.425,1055 1.784,1056 7.968,1057 3.947,1058 7.1,1059 -0.233,1060 9.003,1061 0.696,1062 5.905,1063 6.582,1064 3.7,1065 11.105,1066 5.792,1067 8.483,1068 -0.575,1069 10.862,1070 -0.546,1071 6.635,1072 7.316,1073 3.59,1074 13.432,1075 6.552,1076 9.907,1077 -0.725,1078 12.779,1079 -1.003,1080 8.086,1081 9.033,1082 5.007,1083 16.226,1084 7.975,1085 11.359,1086 -0.829,1087 14.736,1088 -1.884,1089 9.171,1090 10.112,1091 5.289,1092 18.817,1093 9.081,1094 12.832,1095 -1.081,1096 16.724,1097 -2.597,1098 10.496,1099 11.665,1100 6.433,1101 21.532,1102 10.393,1103 3.649,1104 -1.528,1105 18.733,1106 -3.036,1107 11.714,1108 12.91,1109 6.93,1110 24.194,1111 11.619,1112 2.657,1113 14.705,1114 20.758,1115 -3.684,1116 13.009,1117 14.394,1118 7.922,1119 26.89,1120 12.907,1121 2.334,1122 8.24,1123 22.794,1124 4.153,1125 14.275,1126 15.723,1127 8.539,1128 29.571,1129 14.173,1130 1.983,1131 7.033,1132 24.838,1133 3.281,1134 15.565,1135 17.175,1136 9.444,1137 32.261,1138 15.457,1139 1.825,1140 5.916,1141 26.888,1142 2.842,1143 16.848,1144 18.548,1145 10.13,1146 34.947,1147 16.736,1148 1.143,1149 5.27,1150 28.942,1151 2.506,1152 18.139,1153 19.985,1154 10.985,1155 37.636,1156 18.02,1157 1.06,1158 2.971,1159 30.999,1160 2.041,1161 19.428,1162 21.381,1163 11.71,1164 40.323,1165 19.304,1166 3085,1167 5158,1168 13.811,1169 22.915,1170 32.121,1171 33.307,1172 33.529,1173 31.858,1174 31.896,1175 37.501,1176 8.951,1177 98.107,1178 30.611,1179 5.717,1180 5.956,1181 7.658,1182 5.713,1183 5.649,1184 7.153,1185 3.889,1186 22.9,1187 5.621,1188 9.012,1189 1.53,1190 1.586,1191 1.597,1192 1.517,1193 1.519,1194 1.786,1195 0.426,1196 4.672,1197 1.458,1198 4.052,1199 4.064,1200 4.003,1201 3.953,1202 7.435,1203 3.962,1204 3.687,1205 3.724,1206 3.606,1207 3.522,1208 4.961,1209 3.529,1210 3.576,1211 3.641,1212 3.451,1213 3.36,1214 4.625,1215 3.367,1216 3.211,1217 3.24,1218 3.072,1219 2.936,1220 4.294,1221 2.968,1222 3.103,1223 3.19,1224 2.882,1225 2.881,1226 4.145,1227 2.876,1228 2.947,1229 2.983,1230 2.829,1231 2.69,1232 3.898,1233 2.717,1234 2.779,1235 2.856,1236 2.578,1237 2.623,1238 3.787,1239 2.602,1240 2.577,1241 2.646,1242 2.415,1243 2.339,1244 3.508,1245 2.35,1246 0.226,1247 0.188,1248 0.376,1249 0.221,1250 0.174,1251 4.755,1252 0.198,1253 3.956,1254 0.104,1255 7.887,1256 0.7,1257 4.642,1258 0.172,1259 3.649,1260 4.153,1261 2.186,1262 14.705,1263 3.621,1264 1.896,1265 1.88,1266 1.999,1267 1.986,1268 1.31,1269 1.987,1270 1.59,1271 1.546,1272 1.844,1273 1.82,1274 0.991,1275 1.826,1276 1.541,1277 1.464,1278 1.789,1279 1.734,1280 0.967,1281 1.754,1282 1.306,1283 1.265,1284 1.589,1285 1.609,1286 0.787,1287 1.592,1288 1.06,1289 1.042,1290 1.264,1291 1.403,1292 0.386,1293 1.36,1294 0.883,1295 0.806,1296 1.233,1297 1.197,1298 0.223,1299 1.22,1300 0.767,1301 0.712,1302 1.063,1303 0.967,1304 0.147,1305 1.003,1306 0.685,1307 0.625,1308 0.931,1309 0.929,1310 0.055,1311 0.935,1312 3.761,1314 5.118,1315 3.045,1316 6.676,1317 5.533,1318 8.337,1319 7.735,1320 10.06,1322 3.964,1328 2.151,1329 2.6,1330 16.57,1332 -0.22,1334 -0.143,1340 22.095,1341 55.327,1342 124.502,1343 157.853,1344 168.608,1345 170.608,1346 170.608,1347 28.406,1348 6.758,1349 56.79,1350 56.79,1351 16,1352 12.52,1353 3,1354 2.322,1355 27.863,1356 54,1357 63,1358 0.269,1359 133.953,1360 238.38,1361 318.605,1362 6452,1364 13.458,1365 0.708,1366 0.582,1367 13.458,1368 11.064,1369 9.131,1370 0.435,1371 0.31,1372 6.39,1373 8.623,1374 6.221,1375 5.133,1376 9.131,1377 6.517,1378 8.506,1379 0.274,1380 0.163,1381 8.506,1382 5.066,1383 7.254,1384 0.169,1385 0.087,1386 7.254,1387 3.743,1388 6.308,1389 0.107,1390 0.045,1391 6.308,1392 2.63,1393 4.663,1394 0.067,1395 0.023,1396 4.663,1397 1.626,1398 0.408,1399 58.36,1400 0.269,1401 18.719,1402 0.776,1403 104,1404 339.275,1405 120.445,1406 308.046,1407 420.23,1408 290,1409 126,1410 310.508,1411 141.618,1412 305.058,1413 458.46,1414 287,1415 6.313}
{0 CHEMBL377431,1 1.38,2 10.115,3 3.839,4 14.738,5 100.438,6 6.343,7 0.222,8 4.088,9 4.215,10 3.476,11 3.592,12 5.113,13 3.536,14 4.673,15 4.862,16 3.813,17 4.022,18 5.672,19 3.919,20 5.045,21 5.291,22 3.905,23 4.193,24 5.933,25 4.057,26 5.161,27 5.418,28 3.943,29 4.19,30 6.142,31 4.073,32 5.133,33 5.367,34 4.043,35 4.213,36 6.247,37 4.116,38 5.219,39 5.452,40 4.032,41 4.242,42 6.416,43 4.127,44 5.232,45 5.51,46 3.747,47 4.175,48 6.182,49 4.005,50 5.042,51 5.335,52 3.564,53 4.017,54 5.913,55 3.834,56 0.063,57 0.754,58 13.661,59 5.933,60 12.385,61 8.036,62 0.272,63 1.244,64 24.69,65 10.055,66 55.393,67 14.116,68 0.324,69 1.612,70 35.973,71 12.926,72 55.665,73 18.864,74 0.557,75 1.667,76 41.418,77 12.882,78 102.424,79 19.001,80 0.56,81 1.665,82 40.416,83 12.934,84 110.934,85 18.774,86 0.861,87 1.732,88 44.495,89 14.006,90 162.601,91 20.119,92 0.649,93 1.666,94 44.17,95 14.05,96 121.714,97 20.532,98 0.449,99 1.402,100 35.928,101 12.128,102 81.632,103 17.782,104 38,105 36,106 0.231,107 0.533,108 0.728,109 0.842,110 0.85,111 0.85,112 3.304,113 1.077,114 -3.89,115 -3.85,116 -3.65,121 36.8,122 1,123 8,124 1,125 1,127 1,129 1,144 5,145 1,160 2,170 1,174 1,176 17,177 1,180 2,183 2,185 3,187 19,188 2,192 5,196 1,197 7,200 12,201 2,206 6,211 8,214 8,215 3,219 5,220 1,222 1,224 9,225 1,227 9,228 2,231 1,232 5,235 2,236 1,237 9,239 12,244 3,249 5,251 14,252 1,256 2,261 2,262 1,264 15,265 1,269 1,272 1,273 1,274 2,277 13,278 2,281 1070,282 17.422,283 17.422,284 17.422,285 17.422,286 17.422,287 16.372,288 15.948,289 10.527,290 17.482,291 13.193,292 13.193,293 13.193,294 13.193,295 13.193,296 11.634,297 19.608,298 4.769,299 13.29,300 4.453,301 2.648,302 1.481,303 0.798,304 0.75,305 0.75,306 3.963,311 1,312 1,313 533,314 4.637,317 87.063,318 106.861,325 1.441,326 36.774,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 56.5,338 263,339 4.564,340 4.026,341 7.627,342 4.505,343 3.502,344 3.67,345 2.341,346 13.9,347 3.51,348 3.934,349 3.711,350 5.905,351 3.673,352 2.68,353 3.455,354 1.907,355 8.082,356 2.657,357 3.837,358 2.892,359 5.593,360 3.622,361 2.627,362 2.996,363 0.149,364 7.691,365 2.608,366 3.402,367 2.701,368 5.131,369 3.208,370 2.233,371 2.467,373 6.216,374 2.169,375 2.965,376 2.296,377 4.68,378 2.675,379 1.659,380 2.06,382 4.188,383 1.676,384 2.786,385 2.024,386 3.962,387 2.444,388 1.439,389 1.814,391 3.135,392 1.431,393 2.654,394 1.528,395 3.618,396 2.407,397 1.41,398 1.607,400 3.009,401 1.403,402 2.5,403 1.369,404 3.603,405 2.199,406 1.192,407 1.5,409 2.594,410 1.194,411 2.281,412 1.093,413 3.568,414 2,415 1,416 1.254,418 2.136,419 1,420 1.845,421 1.015,422 3.247,423 1.742,424 0.739,425 0.781,427 1.464,428 0.734,429 1.618,430 1,431 3.152,432 1.618,433 0.618,434 0.618,436 1.369,437 0.618,438 1.457,439 0.618,440 2.846,441 1.278,442 0.382,443 0.401,445 0.563,446 0.337,447 1.126,448 0.438,449 2.728,450 0.845,451 -0.147,452 -0.173,454 -0.359,455 -0.145,456 0.683,457 0.386,458 2.468,459 0.672,460 -0.329,461 -0.331,463 -0.636,464 -0.329,465 0.608,466 -0.131,467 1.963,468 0.248,469 -0.748,470 -0.892,472 -1.66,473 -0.738,474 12.233,475 0.471,476 0.583,477 0.022,478 24,479 0.923,480 9,481 0.346,482 15,483 0.577,484 29.867,485 1.149,486 30.967,487 0.543,488 17.715,489 0.681,490 4.117,491 0.158,492 8.386,493 0.323,494 0.15,495 0.041,496 0.204,501 0.797,502 1.27,503 0.99,504 1.206,505 0.719,506 1.137,507 0.502,508 1.262,509 0.984,510 1.234,511 0.493,512 1.194,513 0.729,514 1.191,515 0.979,516 1.158,517 0.744,518 1.112,519 1.312,520 0.967,521 1.033,522 0.905,523 1.343,524 0.916,525 1.23,526 1.076,527 1.03,528 1.028,529 1.251,530 0.994,531 1.297,532 1.07,533 1.135,534 1.075,535 1.309,536 1.08,537 1.292,538 0.875,539 1.074,540 0.898,541 1.257,542 0.945,543 0.96,544 0.833,545 0.93,546 0.872,547 0.958,548 0.894,549 6,550 0.075,551 2.889,552 1.812,553 1.636,554 0.816,555 0.725,556 0.385,557 0.198,558 0.146,559 6884,560 16961,561 1.943,562 54.4,563 17,564 8,567 3,568 1,569 2,572 1.696,573 1.803,574 3.305,575 0.898,577 1,582 78.656,583 1.38,584 3.185,585 4.352,586 5.034,587 5.083,588 5.083,589 2.716,590 3.748,591 4.671,592 3.446,593 1119.97,594 8.126,595 14065.6,597 1,599 1,600 332.475,601 1.553,602 4.611,603 0.222,604 0.005,605 0.08,606 0.049,607 0.043,608 0.019,609 0.019,610 0.013,611 0.008,612 0.007,613 0.466,614 0.33,615 1,616 1.54,617 126.646,618 -0.073,619 0.053,620 -0.005,621 0.07,622 -0.05,623 0.047,624 0.143,625 -0.068,626 -0.03,627 -0.066,628 0.114,629 -0.077,630 0.022,631 -0.129,632 -0.023,633 -0.121,634 -0.014,635 -0.086,636 -0.135,637 0.023,638 -0.013,639 0.04,640 -0.145,641 0.035,642 -0.034,643 -0.046,644 -0.002,645 -0.044,646 -0.006,647 -0.018,648 0.046,649 -0.078,650 -0.092,651 -0.106,652 0.06,653 -0.121,654 -0.144,655 0.035,656 -0.076,657 0.024,658 -0.117,659 -0.009,660 -0.059,661 0.077,662 0.028,663 0.066,664 -0.066,665 0.063,666 2.478,667 6.074,668 0.423,669 22.45,670 0.994,671 1.133,672 2.66,673 7.075,674 0.618,675 3.332,676 3.611,677 3.829,678 4.007,679 4.127,680 4.06,681 3.989,682 3.951,683 3.761,684 3.611,685 6.048,686 0.575,687 361.53,688 3.332,689 4.844,690 5.666,691 6.529,692 7.382,693 8.253,694 9.118,695 9.994,696 10.866,697 11.745,698 1.8,705 1,715 5,720 1,722 6,741 57,743 8,744 1,745 27,747 58,748 21,749 6,750 1,751 5,756 2,757 2,763 2,764 1,766 1,767 4,770 9,772 8,773 13,774 1,777 2,782 2,786 2,790 1,793 31,794 5,795 3,796 5,802 1,808 1,809 4,810 1,828 1,829 1,843 1,845 1,857 2,859 2,864 1,868 26,875 2,876 9,877 1,880 2,882 1,893 7,894 1,895 1,896 2,901 14.417,902 9.817,903 6.069,904 3.803,907 0.953,908 1.15,909 0.868,910 7.955,911 7.318,912 3.497,913 3.902,914 4.245,915 4.56,916 4.879,917 4.69,918 4.695,919 4.831,920 4.816,921 4.907,922 0.857,923 37,924 9.792,926 4.182,927 0.026,929 7.92,931 18.746,933 15.628,936 2.42,937 62.917,939 1,940 1,941 329.591,942 85.283,943 18.011,945 135.657,948 85.283,949 465.247,950 18.011,951 8.825,952 38.287,953 90.065,954 98.588,955 3.186,957 329.591,959 329.591,960 103.294,961 135.657,964 306.049,965 116.515,966 42.683,968 47.112,969 56.181,972 329.591,973 153.667,974 85.283,977 329.591,978 29.076,979 56.206,980 18.011,981 135.657,982 329.591,983 153.667,984 85.283,986 0.562,987 0.332,988 0.176,989 0.096,990 14,991 7,992 0.172,993 10,995 1,996 3.64,997 204.715,999 11,1000 114.211,1005 20.763,1006 9.962,1007 5.729,1009 153.667,1010 9.756,1015 1.057,1017 103.377,1018 568.541,1019 32,1024 24.664,1028 -0.902,1031 56.665,1032 64.564,1034 0.237,1035 0.546,1036 0.746,1037 0.863,1038 0.871,1039 0.871,1040 4.732,1041 1.192,1042 5.666,1043 3.009,1044 4.29,1045 4.585,1046 2.748,1047 6.509,1048 4.278,1049 5.884,1050 1,1051 7.256,1052 2.594,1053 4.007,1054 4.311,1055 2.591,1056 7.879,1057 4.001,1058 7.175,1059 0.739,1060 8.976,1061 2.136,1062 5.953,1063 6.509,1064 4.005,1065 10.926,1066 5.935,1067 8.505,1068 0.618,1069 10.784,1070 1.464,1071 6.567,1072 7.033,1073 4.392,1074 13.198,1075 6.559,1076 9.875,1077 0.382,1078 12.652,1079 1.369,1080 8.011,1081 8.755,1082 5.469,1083 15.907,1084 7.998,1085 11.273,1086 -0.147,1087 14.565,1088 0.563,1089 8.999,1090 9.612,1091 6.092,1092 18.443,1093 8.997,1094 12.692,1095 -0.329,1096 16.509,1097 -0.359,1098 10.287,1099 11.15,1100 7.032,1101 21.089,1102 10.285,1103 3.502,1104 -0.748,1105 18.476,1106 -0.636,1107 11.428,1108 12.167,1109 7.767,1110 23.695,1111 11.434,1112 2.68,1113 13.9,1114 20.459,1115 -1.66,1116 12.675,1117 13.616,1118 8.649,1119 26.329,1120 12.684,1121 2.627,1122 8.082,1123 22.455,1124 3.67,1125 13.878,1126 14.722,1127 9.44,1128 28.954,1129 13.893,1130 2.233,1131 7.691,1132 24.461,1133 3.455,1134 15.119,1135 16.118,1136 10.299,1137 31.586,1138 15.137,1139 1.659,1140 6.216,1141 26.473,1142 2.996,1143 16.348,1144 17.281,1145 11.117,1146 34.216,1147 16.371,1148 1.439,1149 4.188,1150 28.489,1151 2.467,1152 17.591,1153 18.643,1154 11.967,1155 36.847,1156 17.618,1157 1.41,1158 3.135,1159 30.51,1160 2.06,1161 18.833,1162 19.844,1163 12.8,1164 39.479,1165 18.863,1166 7062,1167 11146,1168 17.277,1169 35.245,1170 39.246,1171 40.486,1172 41.984,1173 38.921,1174 38.96,1175 45.245,1176 8.794,1177 108.694,1178 38.674,1179 5.541,1180 6.026,1181 7.429,1182 5.527,1183 5.502,1184 6.67,1185 3.925,1186 21.292,1187 5.51,1188 14.442,1189 1.454,1190 1.499,1191 1.555,1192 1.442,1193 1.443,1194 1.676,1195 0.326,1196 4.026,1197 1.432,1198 3.997,1199 4.037,1200 3.906,1201 3.9,1202 7.474,1203 3.895,1204 3.905,1205 3.939,1206 3.82,1207 3.836,1208 7.428,1209 3.827,1210 3.709,1211 3.76,1212 3.587,1213 3.57,1214 6.456,1215 3.561,1216 3.6,1217 3.658,1218 3.47,1219 3.424,1220 6.351,1221 3.427,1222 3.391,1223 3.449,1224 3.219,1225 3.197,1226 4.752,1227 3.187,1228 3.218,1229 3.245,1230 3.111,1231 2.971,1232 4.297,1233 2.999,1234 3.019,1235 3.082,1236 2.845,1237 2.82,1238 4.115,1239 2.816,1240 2.934,1241 2.979,1242 2.773,1243 2.735,1244 4.059,1245 2.715,1246 0.169,1247 0.149,1248 0.282,1249 0.167,1250 0.13,1251 4.564,1252 0.136,1253 4.026,1254 0.087,1255 7.627,1256 0.515,1257 4.505,1258 0.13,1259 3.502,1260 3.67,1261 2.341,1262 13.9,1263 3.51,1264 1.928,1265 1.897,1266 2.063,1267 2.031,1268 1.426,1269 2.042,1270 1.841,1271 1.804,1272 2.026,1273 1.975,1274 1.269,1275 1.992,1276 1.64,1277 1.587,1278 1.869,1279 1.831,1280 1.211,1281 1.842,1282 1.577,1283 1.507,1284 1.86,1285 1.751,1286 1.178,1287 1.793,1288 1.524,1289 1.466,1290 1.766,1291 1.714,1292 0.96,1293 1.738,1294 1.295,1295 1.246,1296 1.571,1297 1.555,1298 0.806,1299 1.549,1300 1.001,1301 0.938,1302 1.32,1303 1.28,1304 0.48,1305 1.284,1306 0.886,1307 0.821,1308 1.21,1309 1.217,1310 0.412,1311 1.205,1312 4.007,1314 5.293,1315 2.398,1316 6.777,1317 4.595,1318 8.352,1319 6.605,1320 9.979,1322 1.971,1327 19.221,1328 5.587,1329 3.002,1332 -0.831,1334 -0.609,1340 32.783,1341 78.656,1342 181.562,1343 248.052,1344 286.965,1345 289.72,1346 289.72,1347 93.899,1348 6.365,1349 86.63,1350 86.63,1351 11,1352 12.284,1353 3.17,1354 2.585,1355 54.646,1356 92,1357 96,1358 0.287,1359 205.565,1360 369.2,1361 493.339,1362 3736,1364 18.993,1365 0.731,1366 0.601,1367 18.993,1368 15.616,1369 12.503,1370 0.463,1371 0.359,1372 9.608,1373 12.153,1374 9.375,1375 7.81,1376 12.503,1377 9.69,1378 10.717,1379 0.298,1380 0.21,1381 10.717,1382 7.558,1383 8.571,1384 0.19,1385 0.123,1386 8.571,1387 5.546,1388 6.615,1389 0.123,1390 0.076,1391 6.615,1392 4.107,1393 5.045,1394 0.083,1395 0.043,1396 5.045,1397 2.606,1398 0.444,1399 77.866,1400 0.241,1401 24.962,1402 0.81,1403 126,1404 344.103,1405 136.136,1406 327.427,1407 422.15,1408 302,1409 144,1410 281.79,1411 153.197,1412 285.517,1413 411.55,1414 268,1415 5.523}
{0 CHEMBL377618,1 1.635,2 9.304,3 2.628,4 6.907,5 91.008,6 7.073,7 0.208,8 3.934,9 4.062,10 3.481,11 3.457,12 4.976,13 3.387,14 4.522,15 4.717,16 3.886,17 3.881,18 5.544,19 3.769,20 4.831,21 5.068,22 3.798,23 3.99,24 5.742,25 3.849,26 4.94,27 5.187,28 3.797,29 3.974,30 5.963,31 3.863,32 4.887,33 5.118,34 3.896,35 3.984,36 5.967,37 3.879,38 4.996,39 5.248,40 3.907,41 3.987,42 6.221,43 3.854,44 4.855,45 5.122,46 3.655,47 3.897,48 5.809,49 3.701,50 4.658,51 4.938,52 3.365,53 3.671,54 5.58,55 3.469,56 0.06,57 0.7,58 11.716,59 5.012,60 9.649,61 6.519,62 0.258,63 1.134,64 23.347,65 8.218,66 48.566,67 11.578,68 0.297,69 1.331,70 34.01,71 10.777,72 48.146,73 14.931,74 0.585,75 1.34,76 35.411,77 10.158,78 96.391,79 14.504,80 0.425,81 1.306,82 33.125,83 10.424,84 71.967,85 14.61,86 0.891,87 1.34,88 38.596,89 11.225,90 153.397,91 15.551,92 0.511,93 1.252,94 38.349,95 10.701,96 79.73,97 14.245,98 0.467,99 1.024,100 31.453,101 8.21,102 66.043,103 11.335,104 33,105 33,106 0.285,107 0.502,108 0.716,109 0.837,110 0.837,111 0.837,112 3.188,113 1.135,114 -2.85,115 -2.86,116 -2.77,121 33.3,122 2,123 7,124 1,125 1,127 1,160 2,163 2,168 1,170 1,174 1,176 10,177 1,180 5,183 2,185 2,187 12,188 2,192 6,195 1,197 6,200 7,201 2,206 5,209 1,211 5,214 6,215 3,218 1,219 6,220 1,224 5,225 1,227 6,228 2,231 2,232 7,235 2,236 1,237 3,239 7,244 8,249 1,251 6,256 4,257 1,264 4,265 1,268 1,269 3,270 1,272 1,274 1,277 4,281 817,282 15.137,283 15.137,284 15.137,285 15.137,286 15.137,287 14.192,288 17.483,289 8.984,290 15.49,291 11.749,292 11.749,293 11.749,294 11.749,295 11.749,296 10.264,297 23.787,298 4.097,299 12.299,300 3.95,301 2.702,302 1.475,303 0.781,304 0.781,305 0.781,306 3.841,310 1,311 1,312 1,313 434,314 4.243,317 153.492,325 1.448,326 32.158,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 50.5,338 214,339 4.56,340 4.023,341 7.626,342 4.503,343 3.499,344 3.717,345 2.341,346 13.89,347 3.508,348 4.084,349 3.711,350 5.903,351 3.656,352 2.698,353 3.654,354 1.909,355 8.064,356 2.646,357 3.837,358 2.9,359 5.552,360 3.558,361 2.648,362 2.995,363 0.561,364 7.575,365 2.32,366 3.209,367 2.714,368 4.903,369 2.912,370 1.965,371 2.355,373 5.198,374 1.86,375 3.013,376 2.201,377 4.615,378 2.662,379 1.698,380 2.057,382 4.535,383 1.606,384 2.654,385 2.024,386 3.962,387 2.443,388 1.438,389 1.607,391 3.138,392 1.428,393 2.304,394 1.369,395 3.618,396 2.249,397 1.257,398 1.291,400 2.679,401 1.242,402 2.216,403 1.15,404 3.598,405 1.771,406 0.787,407 1.085,409 1.772,410 0.765,411 1.857,412 1.015,413 3.302,414 1.671,415 0.725,416 0.799,418 1.464,419 0.672,420 1.676,421 0.726,422 3.239,423 1.618,424 0.618,425 0.618,427 1.414,428 0.618,429 1.618,430 0.618,431 2.963,432 1.284,433 0.351,434 0.429,436 0.806,437 0.32,438 0.683,439 0.428,440 2.471,441 0.673,442 -0.328,443 -0.329,445 -0.633,446 -0.328,447 0.554,448 -0.038,449 2.354,450 0.236,451 -0.694,452 -0.803,454 -1.652,455 -0.636,456 0.472,457 -0.299,458 1.605,459 0.105,460 -0.923,461 -0.933,463 -2,464 -0.89,465 0.319,466 -0.45,467 1.574,468 -0.011,469 -1,470 -1.209,472 -2.097,473 -0.969,474 11.033,475 0.48,476 0.621,477 0.027,478 20.75,479 0.902,480 7,481 0.304,482 13.75,483 0.598,484 26.846,485 1.167,486 27.367,487 0.57,488 13.032,489 0.567,490 3.267,491 0.142,492 7.698,493 0.335,494 0.181,495 0.045,496 0.227,501 0.697,502 1.271,503 0.837,504 1.101,505 0.623,506 1.106,507 0.405,508 1.275,509 0.775,510 1.109,511 0.386,512 1.074,513 0.805,514 1.212,515 1.082,516 1.251,517 0.824,518 1.147,519 1.451,520 0.866,521 0.92,522 0.795,523 1.537,524 0.927,525 1.147,526 1.063,527 0.803,528 0.975,529 1.246,530 1.034,531 1.221,532 0.839,533 0.824,534 0.771,535 1.329,536 0.893,537 1.221,538 0.988,539 1.288,540 1.073,541 1.168,542 0.995,543 1.244,544 0.889,545 1.322,546 0.993,547 1.141,548 0.963,549 6,550 0.11,551 3.111,552 1.694,553 1.29,554 0.858,555 0.478,556 0.276,557 0.173,558 0.129,559 4970,560 14077,561 1.936,562 52.1,563 17,564 2,567 2,568 4,572 1.662,573 1.781,574 3.179,575 0.364,576 1,577 1,582 78.472,583 1.635,584 2.883,585 4.11,586 4.804,587 4.804,588 4.804,589 2.682,590 4.176,591 4.493,592 3.337,593 844.327,594 7.761,595 9685.98,597 1,599 1,600 268.078,601 1.644,602 4.423,603 0.25,604 0.011,605 0.094,606 0.055,607 0.042,608 0.026,609 0.015,610 0.012,611 0.01,612 0.009,613 0.524,614 0.33,615 1,616 1.572,617 107.308,618 -0.009,619 0.051,620 0.051,621 0.067,622 -0.009,623 0.03,624 0.23,625 -0.113,626 0.156,627 -0.003,628 0.189,629 0.012,630 -0.009,631 -0.177,632 -0.096,633 -0.198,634 -0.027,635 -0.118,636 -0.208,637 0.071,638 -0.078,639 0.043,640 -0.202,641 -0.002,642 -0.041,643 -0.101,644 0.02,645 -0.084,646 -0.042,647 -0.061,648 0.11,649 0.041,650 0.069,651 0.091,652 0.104,653 0.033,654 -0.178,655 -0.025,656 -0.118,657 0.001,658 -0.132,659 -0.02,660 -0.226,661 0.084,662 -0.17,663 0.033,664 -0.165,665 -0.016,666 2.453,667 5.762,668 0.435,669 18.718,670 1.002,671 1.138,672 1.622,673 2.632,674 0.633,675 3.219,676 3.526,677 3.738,678 3.912,679 3.932,680 3.892,681 3.807,682 3.784,683 3.689,684 3.526,685 5.613,686 0.587,687 339.51,688 3.219,689 4.745,690 5.572,691 6.444,692 7.3,693 8.177,694 9.044,695 9.924,696 10.796,697 11.678,698 6.3,705 1,708 2,716 2,719 1,720 2,722 5,741 48,743 7,745 24,747 49,748 16,749 2,756 2,757 2,763 2,764 1,766 1,767 4,770 7,772 4,773 12,774 1,777 2,782 2,786 2,789 1,790 1,793 25,794 6,795 2,796 7,797 1,802 3,808 1,809 3,828 2,843 1,845 1,857 1,859 2,862 1,864 2,868 23,875 1,876 8,877 1,880 1,882 1,893 6.3,895 1,896 2,901 12.917,902 8.933,903 5.236,904 3.273,907 0.795,908 1.129,909 0.883,910 6.518,911 6.964,912 3.384,913 3.834,914 4.188,915 4.506,916 4.512,917 4.477,918 4.511,919 4.71,920 4.677,921 4.677,922 1,923 31,924 8.625,926 3.669,927 0.026,929 7.917,931 16.495,933 13.673,936 2.417,937 55.583,940 1,941 270.735,942 76.249,943 51.337,945 92.973,947 31.278,948 44.972,949 363.709,950 51.337,951 17.65,952 37.858,954 133.773,957 302.013,959 270.735,960 96.308,961 92.973,962 31.278,964 270.735,965 92.973,968 57.368,969 5.615,970 33.326,971 31.278,972 270.735,973 144.31,974 76.249,977 270.735,978 58.599,979 17.65,980 18.011,981 126.299,982 270.735,983 144.31,984 76.249,986 0.574,987 0.335,988 0.173,989 0.086,990 14,991 7,992 0.163,993 8,995 1,996 3.404,997 172.511,999 10,1000 100.042,1001 1,1005 18.315,1006 8.185,1007 4.725,1009 144.31,1011 7.96,1014 1.467,1015 1.658,1017 60.694,1018 491.295,1019 28.5,1024 24.238,1028 -0.809,1031 48.083,1032 54.61,1034 0.293,1035 0.516,1036 0.736,1037 0.86,1038 0.86,1039 0.86,1040 4.637,1041 0.787,1042 5.595,1043 2.679,1044 4.205,1045 4.516,1046 2.782,1047 6.454,1048 4.13,1049 5.817,1050 0.725,1051 7.2,1052 1.772,1053 4.007,1054 4.407,1055 2.591,1056 7.858,1057 3.928,1058 7.13,1059 0.618,1060 8.932,1061 1.464,1062 5.894,1063 6.512,1064 4.011,1065 10.897,1066 5.784,1067 8.482,1068 0.351,1069 10.748,1070 1.414,1071 6.567,1072 7.221,1073 4.392,1074 13.187,1075 6.481,1076 9.871,1077 -0.328,1078 12.624,1079 0.806,1080 7.978,1081 8.83,1082 5.471,1083 15.893,1084 7.881,1085 11.286,1086 -0.694,1087 14.542,1088 -0.633,1089 8.997,1090 9.868,1091 6.093,1092 18.436,1093 8.93,1094 12.718,1095 -0.923,1096 16.49,1097 -1.652,1098 10.271,1099 11.299,1100 7.033,1101 21.08,1102 10.207,1103 3.499,1104 -1,1105 18.461,1106 -2,1107 11.425,1108 12.478,1109 7.768,1110 23.688,1111 11.384,1112 2.698,1113 13.89,1114 20.447,1115 -2.097,1116 12.666,1117 13.836,1118 8.651,1119 26.321,1120 12.634,1121 2.648,1122 8.064,1123 22.445,1124 3.717,1125 13.873,1126 15.08,1127 9.441,1128 28.946,1129 13.857,1130 1.965,1131 7.575,1132 24.452,1133 3.654,1134 15.111,1135 16.408,1136 10.3,1137 31.577,1138 15.104,1139 1.698,1140 5.198,1141 26.465,1142 2.995,1143 16.34,1144 17.682,1145 11.118,1146 34.207,1147 16.345,1148 1.438,1149 4.535,1150 28.483,1151 2.355,1152 17.582,1153 18.996,1154 11.968,1155 36.838,1156 17.595,1157 1.257,1158 3.138,1159 30.504,1160 2.057,1161 18.822,1162 20.286,1163 12.801,1164 39.468,1165 18.843,1166 5125,1167 8751,1168 15.197,1169 30.404,1170 35.933,1171 36.576,1172 38.064,1173 35.388,1174 35.367,1175 41.217,1176 9.622,1177 101.068,1178 33.97,1179 5.532,1180 5.976,1181 7.388,1182 5.598,1183 5.499,1184 6.316,1185 3.925,1186 21.18,1187 5.477,1188 13.397,1189 1.497,1190 1.524,1191 1.586,1192 1.475,1193 1.474,1194 1.717,1195 0.401,1196 4.211,1197 1.415,1198 3.983,1199 4.023,1200 4.219,1201 3.881,1202 7.474,1203 3.87,1204 3.812,1205 3.849,1206 3.87,1207 3.772,1208 7.428,1209 3.696,1210 3.706,1211 3.758,1212 3.582,1213 3.569,1214 6.351,1215 3.559,1216 3.413,1217 3.48,1218 3.301,1219 3.212,1220 5.004,1221 3.208,1222 3.374,1223 3.431,1224 3.217,1225 3.136,1226 4.294,1227 3.149,1228 3.102,1229 3.16,1230 2.929,1231 2.893,1232 4.114,1233 2.894,1234 2.934,1235 2.994,1236 2.766,1237 2.671,1238 4.012,1239 2.637,1240 2.869,1241 2.979,1242 2.583,1243 2.618,1244 3.77,1245 2.635,1246 0.19,1247 0.168,1248 0.318,1249 0.188,1250 0.146,1251 4.56,1252 0.155,1253 4.023,1254 0.098,1255 7.626,1256 0.579,1257 4.503,1258 0.146,1259 3.499,1260 3.717,1261 2.341,1262 13.89,1263 3.508,1264 1.844,1265 1.807,1266 2.029,1267 1.991,1268 1.424,1269 2.002,1270 1.635,1271 1.585,1272 1.866,1273 1.826,1274 1.211,1275 1.839,1276 1.577,1277 1.507,1278 1.86,1279 1.751,1280 1.183,1281 1.793,1282 1.507,1283 1.48,1284 1.669,1285 1.658,1286 0.917,1287 1.684,1288 1.394,1289 1.316,1290 1.638,1291 1.624,1292 0.806,1293 1.65,1294 1.289,1295 1.238,1296 1.56,1297 1.54,1298 0.739,1299 1.539,1300 0.869,1301 0.822,1302 1.208,1303 1.194,1304 0.411,1305 1.155,1306 0.77,1307 0.724,1308 1.045,1309 1.172,1310 0.094,1311 1.147,1312 3.892,1314 5.198,1315 3.045,1316 6.683,1317 5.283,1318 8.257,1319 7.261,1320 9.883,1322 3.86,1327 9.423,1328 5.796,1329 2.958,1332 -0.437,1334 -0.53,1340 28.191,1341 78.472,1342 138.385,1343 197.265,1344 230.568,1345 230.568,1346 230.568,1347 70.855,1348 6.17,1349 92.18,1350 120.42,1351 10,1352 12.215,1353 3,1354 2.459,1355 45.061,1356 73,1357 83,1358 0.293,1359 181.254,1360 317.06,1361 434.02,1362 2854,1364 16.872,1365 0.734,1366 0.636,1367 17.226,1368 14.617,1369 10.965,1370 0.457,1371 0.378,1372 8.248,1373 10.077,1374 7.931,1375 6.611,1376 11.373,1377 9.084,1378 9.829,1379 0.298,1380 0.233,1381 10.584,1382 7.679,1383 7.727,1384 0.188,1385 0.133,1386 8.401,1387 5.473,1388 5.92,1389 0.121,1390 0.084,1391 6.558,1392 4.11,1393 4.132,1394 0.083,1395 0.048,1396 4.556,1397 2.396,1398 0.451,1399 72.968,1400 0.257,1401 22.478,1402 0.828,1403 114,1404 346.104,1405 152.54,1406 348.964,1407 456.1,1408 322,1409 131,1410 304.198,1411 161.462,1412 319.068,1413 459.81,1414 299,1415 5.523}
{0 CHEMBL378050,1 1.349,2 9.292,3 4.406,4 19.413,5 94.14,6 6.255,7 0.24,8 4.009,9 4.14,10 3.395,11 3.535,12 5.007,13 3.471,14 4.599,15 4.794,16 3.747,17 3.964,18 5.584,19 3.856,20 4.962,21 5.207,22 3.835,23 4.133,24 5.831,25 3.996,26 5.076,27 5.329,28 3.862,29 4.131,30 6.059,31 4.009,32 5.068,33 5.315,34 3.911,35 4.147,36 6.097,37 4.033,38 5.114,39 5.354,40 3.883,41 4.154,42 6.296,43 4.022,44 5.073,45 5.355,46 3.571,47 4.097,48 5.943,49 3.903,50 4.936,51 5.244,52 3.358,53 3.942,54 5.719,55 3.72,56 0.054,57 0.705,58 12.665,59 5.54,60 9.383,61 7.601,62 0.254,63 1.169,64 22.891,65 9.429,66 47.106,67 13.343,68 0.24,69 1.517,70 32.896,71 12.104,72 41.317,73 17.624,74 0.476,75 1.584,76 37.796,77 12.035,78 85.232,79 17.722,80 0.425,81 1.574,82 37.456,83 12.367,84 77.574,85 17.904,86 0.813,87 1.58,88 39.739,89 13.021,90 147.348,91 18.54,92 0.438,93 1.52,94 36.765,95 12.98,96 82.958,97 18.828,98 0.295,99 1.32,100 31.437,101 11.548,102 55.539,103 16.974,104 33,105 34,106 0.229,107 0.509,108 0.681,109 0.825,110 0.834,111 0.834,112 3.229,113 1.088,114 -4.45,115 -4.38,116 -4.13,121 37.7,122 2,123 7,124 1,125 1,129 1,144 5,145 1,160 2,170 1,174 1,176 16,177 1,180 2,183 2,185 4,187 18,188 2,192 5,197 7,200 12,201 2,206 7,211 7,214 10,215 3,219 6,220 1,224 5,225 1,227 14,228 2,231 1,232 5,235 2,236 1,237 3,239 18,244 2,249 1,251 17,252 2,256 2,261 2,264 13,265 2,269 2,274 2,277 9,278 2,281 880,282 15.897,283 15.897,284 15.897,285 15.897,286 15.897,287 14.871,288 16.02,289 9.544,290 15.941,291 12.243,292 12.243,293 12.243,294 12.243,295 12.243,296 10.698,297 23.293,298 4.35,299 12.292,300 4.379,301 2.735,302 1.72,303 0.873,304 0.821,305 0.821,306 3.884,311 1,312 1,313 452,314 4.416,317 78.188,318 95.782,325 1.399,326 29.385,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 51.5,338 223,339 4.565,340 4.029,341 7.628,342 4.506,343 3.503,344 3.682,345 2.341,346 13.9,347 3.511,348 4.041,349 3.712,350 6.034,351 3.769,352 2.783,353 3.521,354 1.909,355 8.604,356 2.743,357 3.835,358 3.07,359 5.899,360 3.647,361 2.644,362 2.995,363 0.561,364 8.052,365 2.639,366 3.22,367 2.693,368 4.919,369 2.912,370 1.922,371 2.369,373 5.08,374 1.895,375 2.951,376 2.025,377 4.177,378 2.61,379 1.599,380 2.014,382 3.595,383 1.612,384 2.654,385 1.855,386 3.962,387 2.442,388 1.435,389 1.607,391 3.132,392 1.428,393 2.5,394 1.369,395 3.618,396 2.247,397 1.248,398 1.5,400 2.698,401 1.244,402 2.369,403 1.187,404 3.59,405 2,406 1,407 1.354,409 2.187,410 1,411 2.228,412 1.015,413 3.446,414 1.944,415 0.939,416 1.14,418 2.136,419 0.939,420 1.842,421 1,422 3.247,423 1.724,424 0.714,425 0.768,427 1.464,428 0.714,429 1.618,430 0.618,431 3.079,432 1.618,433 0.618,434 0.618,436 1.345,437 0.618,438 0.837,439 0.432,440 2.681,441 0.674,442 -0.325,443 -0.326,445 -0.628,446 -0.325,447 0.682,448 0.279,449 2.466,450 0.506,451 -0.508,452 -0.598,454 -1.22,455 -0.509,456 0.589,457 -0.297,458 1.914,459 0.237,460 -0.764,461 -0.936,463 -1.628,464 -0.765,465 0.5,466 -0.583,467 1.572,468 0.105,469 -0.924,470 -0.965,472 -2,473 -0.891,474 11.4,475 0.475,476 0.604,477 0.025,478 22.75,479 0.948,480 9,481 0.375,482 13.75,483 0.573,484 27.049,485 1.127,486 28.2,487 0.532,488 15.863,489 0.661,490 3.765,491 0.157,492 7.717,493 0.322,494 0.175,495 0.044,496 0.219,501 0.723,502 1.271,503 0.991,504 1.206,505 0.646,506 1.142,507 0.384,508 1.231,509 0.94,510 1.199,511 0.388,512 1.152,513 0.798,514 1.212,515 0.984,516 1.152,517 0.789,518 1.098,519 1.452,520 1.002,521 1.089,522 0.938,523 1.447,524 0.954,525 1.38,526 1.021,527 1.045,528 0.991,529 1.37,530 0.969,531 1.4,532 0.967,533 1.144,534 0.994,535 1.448,536 1.033,537 1.109,538 0.919,539 1.076,540 0.953,541 1.119,542 1.005,543 0.68,544 0.895,545 0.912,546 0.945,547 0.676,548 0.958,549 5.5,550 0.058,551 3.333,552 1.687,553 1.516,554 1.017,555 0.535,556 0.294,557 0.185,558 0.091,559 5426,560 12587,561 1.939,562 54.7,563 17,564 6,567 2,568 1,569 3,572 1.675,573 1.789,574 3.188,575 0.214,577 1,582 71.505,583 1.349,584 2.992,585 4.008,586 4.855,587 4.907,588 4.907,589 2.669,590 3.887,591 4.556,592 3.327,593 918.142,594 7.895,595 10768.2,597 1,599 1,600 303.58,601 1.613,602 4.488,603 0.22,604 0.006,605 0.098,606 0.048,607 0.043,608 0.027,609 0.016,610 0.012,611 0.009,612 0.006,613 0.486,614 0.17,615 1,616 1.534,617 113.107,618 -0.048,619 0.031,620 0.007,621 0.047,622 -0.034,623 0.036,624 0.224,625 -0.059,626 0.024,627 -0.052,628 0.176,629 -0.045,630 -0.005,631 -0.158,632 -0.015,633 -0.12,634 -0.023,635 -0.076,636 -0.15,637 0.003,638 -0.054,639 0.007,640 -0.15,641 -0.007,642 -0.105,643 -0.013,644 -0.014,645 -0.023,646 -0.071,647 -0.005,648 0.083,649 0.005,650 -0.093,651 -0.034,652 0.077,653 -0.082,654 -0.121,655 0.018,656 -0.104,657 0.003,658 -0.107,659 -0.042,660 -0.006,661 0.022,662 0.011,663 0.006,664 -0.005,665 0.011,666 2.438,667 6.009,668 0.458,669 18.833,670 0.99,671 1.131,672 3.225,673 10.398,674 0.623,675 3.258,676 3.555,677 3.784,678 3.951,679 4.06,680 3.989,681 3.912,682 3.829,683 3.664,684 3.497,685 5.6,686 0.576,687 331.5,688 3.258,689 4.779,690 5.609,691 6.479,692 7.339,693 8.215,694 9.087,695 9.966,696 10.844,697 11.727,698 1.9,705 1,715 5,720 1,722 6,741 53,743 8,744 1,745 25,747 54,748 20,749 6,750 1,751 5,756 2,757 2,763 2,764 1,766 1,767 4,770 8,772 8,773 12,774 1,777 2,782 2,786 2,790 1,793 29,794 4,795 2,796 4,802 1,808 1,809 3,828 1,829 1,843 1,845 1,857 1,859 2,864 2,868 24,875 1,876 7,877 1,880 2,882 1,893 5.7,895 1,896 2,901 13.417,902 9.617,903 5.514,904 3.661,907 0.988,908 1.158,909 0.884,910 6.707,911 7.226,912 3.434,913 3.861,914 4.23,915 4.545,916 4.873,917 4.707,918 4.747,919 4.748,920 4.921,921 4.897,922 1,923 35,924 9.02,926 3.832,927 0.026,929 7.83,931 17.412,933 14.531,936 2.33,937 55.917,939 1,940 1,941 317.82,942 91.573,943 18.011,945 92.973,948 91.573,949 410.793,950 18.011,951 17.65,952 35.752,953 47.381,954 98.588,955 3.186,957 317.82,959 317.82,960 109.584,961 92.973,964 282.506,965 128.287,968 53.403,969 56.181,972 317.82,973 110.984,974 91.573,977 317.82,978 26.542,979 65.032,980 18.011,981 92.973,982 317.82,983 110.984,984 91.573,986 0.57,987 0.338,988 0.176,989 0.093,990 14,991 7,992 0.148,993 8,995 1,996 3.449,997 185.054,999 11,1000 102.039,1005 18.827,1006 8.55,1007 4.755,1009 110.984,1010 9.89,1015 1.072,1017 60.694,1018 520.377,1019 30,1024 24.563,1028 -0.745,1031 52.454,1032 59.939,1034 0.236,1035 0.522,1036 0.7,1037 0.848,1038 0.857,1039 0.857,1040 4.677,1041 1,1042 5.624,1043 2.698,1044 4.234,1045 4.543,1046 2.782,1047 6.488,1048 4.227,1049 5.844,1050 0.939,1051 7.232,1052 2.187,1053 4.007,1054 4.311,1055 2.591,1056 7.892,1057 4.001,1058 7.145,1059 0.714,1060 8.971,1061 2.136,1062 5.922,1063 6.497,1064 4.011,1065 10.943,1066 5.909,1067 8.487,1068 0.618,1069 10.794,1070 1.464,1071 6.581,1072 7.061,1073 4.392,1074 13.22,1075 6.575,1076 9.869,1077 -0.325,1078 12.674,1079 1.345,1080 8.011,1081 8.777,1082 5.471,1083 15.927,1084 8.001,1085 11.277,1086 -0.508,1087 14.594,1088 -0.628,1089 9.023,1090 9.667,1091 6.093,1092 18.458,1093 9.02,1094 12.706,1095 -0.764,1096 16.542,1097 -1.22,1098 10.305,1099 11.2,1100 7.033,1101 21.1,1102 10.303,1103 3.503,1104 -0.924,1105 18.51,1106 -1.628,1107 11.454,1108 12.243,1109 7.768,1110 23.702,1111 11.458,1112 2.783,1113 13.9,1114 20.492,1115 -2,1116 12.698,1117 13.688,1118 8.651,1119 26.334,1120 12.704,1121 2.644,1122 8.604,1123 22.486,1124 3.682,1125 13.902,1126 14.816,1127 9.441,1128 28.957,1129 13.914,1130 1.922,1131 8.052,1132 24.488,1133 3.521,1134 15.14,1135 16.209,1136 10.3,1137 31.588,1138 15.155,1139 1.599,1140 5.08,1141 26.497,1142 2.995,1143 16.368,1144 17.389,1145 11.118,1146 34.217,1147 16.388,1148 1.435,1149 3.595,1150 28.51,1151 2.369,1152 17.609,1153 18.75,1154 11.968,1155 36.849,1156 17.632,1157 1.248,1158 3.132,1159 30.528,1160 2.014,1161 18.849,1162 19.965,1163 12.801,1164 39.48,1165 18.875,1166 5590,1167 8581,1168 15.89,1169 33.029,1170 37.25,1171 37.848,1172 39.359,1173 36.84,1174 36.81,1175 43.136,1176 9.622,1177 104.386,1178 36.686,1179 5.538,1180 6.029,1181 7.43,1182 5.522,1183 5.503,1184 6.682,1185 3.925,1186 21.322,1187 5.511,1188 13.498,1189 1.49,1190 1.514,1191 1.574,1192 1.474,1193 1.472,1194 1.725,1195 0.385,1196 4.175,1197 1.467,1198 4,1199 4.039,1200 3.913,1201 3.904,1202 7.474,1203 3.899,1204 3.895,1205 3.931,1206 3.809,1207 3.827,1208 7.428,1209 3.818,1210 3.707,1211 3.759,1212 3.582,1213 3.569,1214 6.351,1215 3.56,1216 3.487,1217 3.557,1218 3.356,1219 3.307,1220 4.76,1221 3.306,1222 3.389,1223 3.446,1224 3.218,1225 3.193,1226 4.299,1227 3.184,1228 3.179,1229 3.22,1230 3.04,1231 2.948,1232 4.137,1233 2.969,1234 2.924,1235 2.979,1236 2.757,1237 2.735,1238 4.105,1239 2.715,1240 2.869,1241 2.968,1242 2.687,1243 2.671,1244 3.689,1245 2.635,1246 0.183,1247 0.161,1248 0.305,1249 0.18,1250 0.14,1251 4.565,1252 0.147,1253 4.029,1254 0.094,1255 7.628,1256 0.556,1257 4.506,1258 0.14,1259 3.503,1260 3.682,1261 2.341,1262 13.9,1263 3.511,1264 1.928,1265 1.897,1266 2.06,1267 2.032,1268 1.425,1269 2.042,1270 1.835,1271 1.799,1272 2.022,1273 1.967,1274 1.211,1275 1.985,1276 1.622,1277 1.569,1278 1.861,1279 1.801,1280 1.205,1281 1.821,1282 1.577,1283 1.507,1284 1.86,1285 1.751,1286 1.166,1287 1.793,1288 1.436,1289 1.363,1290 1.72,1291 1.642,1292 0.832,1293 1.671,1294 1.292,1295 1.242,1296 1.571,1297 1.546,1298 0.805,1299 1.546,1300 0.886,1301 0.821,1302 1.216,1303 1.226,1304 0.412,1305 1.222,1306 0.879,1307 0.807,1308 1.185,1309 1.172,1310 0.252,1311 1.149,1312 3.932,1314 5.231,1315 2.398,1316 6.73,1317 4.595,1318 8.32,1319 6.605,1320 9.961,1322 3.978,1327 9.489,1328 5.538,1329 3.133,1332 -0.489,1334 -0.513,1340 30.541,1341 71.505,1342 158.602,1343 212.403,1344 257.315,1345 260.07,1346 260.07,1347 75.844,1348 6.238,1349 66.4,1350 66.4,1351 11,1352 12.262,1353 3.17,1354 2.585,1355 48.096,1356 77,1357 82,1358 0.3,1359 191.977,1360 343.11,1361 460.183,1362 3104,1364 17.579,1365 0.732,1366 0.615,1367 17.579,1368 14.755,1369 11.482,1370 0.459,1371 0.363,1372 9.009,1373 11.211,1374 8.737,1375 7.317,1376 11.482,1377 9.07,1378 10.078,1379 0.296,1380 0.209,1381 10.078,1382 7.121,1383 8.096,1384 0.188,1385 0.124,1386 8.096,1387 5.313,1388 6.245,1389 0.122,1390 0.076,1391 6.245,1392 3.883,1393 4.609,1394 0.081,1395 0.043,1396 4.609,1397 2.431,1398 0.459,1399 71.032,1400 0.251,1401 23.196,1402 0.858,1403 118,1404 303.954,1405 126.696,1406 293.032,1407 383.41,1408 270,1409 136,1410 265.275,1411 143.813,1412 269.063,1413 388.52,1414 253,1415 5.523}
{0 CHEMBL378404,1 1.486,2 9.667,3 3.706,4 13.736,5 88.385,6 7.567,7 0.444,8 3.885,9 3.977,10 3.474,11 3.418,12 4.971,13 3.416,14 4.45,15 4.581,16 3.897,17 3.835,18 5.582,19 3.819,20 4.694,21 4.848,22 3.912,23 3.983,24 5.72,25 3.934,26 4.773,27 4.998,28 3.738,29 3.88,30 5.764,31 3.795,32 4.626,33 4.843,34 3.633,35 3.649,36 5.739,37 3.597,38 4.372,39 4.564,40 3.363,41 3.379,42 5.512,43 3.354,44 4.056,45 4.222,46 3.378,47 3.362,48 5.265,49 3.326,50 4.191,51 4.362,52 3.291,53 3.43,54 5.4,55 3.363,56 0.043,57 0.573,58 8.607,59 4.248,60 6.814,61 5.05,62 0.46,63 0.944,64 17.424,65 7.29,66 36.546,67 8.934,68 0.295,69 1.197,70 22.688,71 9.274,72 28.64,73 11.347,74 0.395,75 1.254,76 27.378,77 9.741,78 41.45,79 12.88,80 0.488,81 1.026,82 24.323,83 8.099,84 50.47,85 10.401,86 0.611,87 0.752,88 19.572,89 5.845,90 57.321,91 6.802,92 0.277,93 0.634,94 12.196,95 4.772,96 27.397,97 6.109,98 0.421,99 0.729,100 14.402,101 4.991,102 50.064,103 6.227,104 10,105 40,106 0.259,107 0.617,108 0.796,109 0.876,110 0.892,111 0.892,112 3.229,113 0.89,114 -4.08,115 -4.03,116 -3.81,121 44.2,122 2,123 1,125 1,127 1,130 1,144 7,145 2,146 3,161 1,176 10,179 2,180 7,183 2,185 2,187 11,192 7,197 3,200 9,206 10,211 3,214 4,218 1,219 11,224 2,227 2,231 1,232 3,237 1,239 4,243 1,244 2,247 1,249 2,251 10,255 1,259 1,264 10,269 2,277 9,281 748,282 16.057,283 16.057,284 16.057,285 16.057,286 16.057,287 14.413,288 21.281,289 9.246,290 16.31,291 13.342,292 13.342,293 13.342,294 13.342,295 13.342,296 10.864,297 26.586,298 4.425,299 13.775,300 3.94,301 1.892,302 0.864,303 0.407,304 0.314,305 0.314,306 3.924,310 1,311 1,312 1,313 518,314 3.317,317 50.333,318 188.093,319 67.261,322 93.314,323 104.041,325 1.472,326 23.839,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 52.5,338 232,339 4.664,340 3.815,341 7.576,342 4.528,343 3.537,344 4.105,345 2.186,346 13.68,347 3.502,348 4.189,349 3.676,350 6.055,351 3.813,352 2.841,353 3.787,354 1.392,355 8.712,356 2.765,357 3.92,358 2.914,359 5.859,360 3.571,361 2.615,362 3.226,363 0.532,364 8.13,365 2.491,366 3.605,367 2.898,368 5.422,369 3.289,370 2.336,371 2.822,372 0.366,373 7.142,374 2.23,375 3.358,376 2.749,377 5.325,378 3.199,379 2.222,380 2.529,382 6.686,383 2.138,384 3.201,385 2.419,386 4.777,387 2.858,388 1.889,389 2.273,391 5.296,392 1.813,393 2.874,394 1.669,395 4.171,396 2.414,397 1.414,398 2.038,400 3.566,401 1.414,402 2.804,403 1.472,404 4.08,405 2.366,406 1.378,407 1.912,409 3.147,410 1.355,411 2.557,412 1.348,413 3.72,414 2.137,415 1.139,416 1.578,418 2.958,419 1.136,420 1.753,421 1.173,422 3.596,423 1.637,424 0.741,425 0.747,427 1.862,428 0.655,429 1.494,430 0.905,431 3.094,432 1.218,433 0.298,434 0.341,436 0.791,437 0.271,438 1.389,439 0.571,440 3.052,441 1.057,442 0.082,443 0.099,445 0.193,446 0.079,447 0.879,448 0.323,449 2.869,450 0.61,451 -0.348,452 -0.396,454 -0.991,455 -0.329,456 0.777,457 -0.1,458 2.43,459 0.419,460 -0.563,461 -0.632,463 -1.422,464 -0.551,465 0.689,466 -0.255,467 2.267,468 0.377,469 -0.639,470 -0.833,472 -1.813,473 -0.642,474 11.233,475 0.468,476 0.725,477 0.03,478 30.75,479 1.281,480 15,481 0.625,482 15.75,483 0.656,484 19.312,485 0.805,486 25.967,487 0.604,488 21.394,489 0.891,490 5.942,491 0.248,492 5.59,493 0.233,494 0.119,495 0.045,496 0.312,501 0.806,502 1.196,503 0.742,504 1.107,505 0.665,506 0.94,507 0.78,508 0.939,509 0.775,510 0.914,511 0.524,512 0.861,513 1.142,514 1.26,515 1.113,516 1.218,517 0.85,518 1.171,519 1.036,520 1.07,521 1.018,522 1.052,523 0.831,524 1.029,525 1.265,526 1.012,527 0.985,528 0.992,529 1.439,530 0.938,531 2.022,532 0.702,533 1.251,534 0.654,535 2.417,536 0.772,537 0.778,538 1.066,539 0.829,540 0.964,541 1.283,542 0.92,543 1.232,544 0.92,545 1.349,546 0.952,547 2.397,548 1.117,549 6.5,550 0.09,551 3.111,552 2.194,553 1.557,554 0.5,555 0.562,556 0.184,557 0.284,558 0.212,559 6802,560 17125,561 2.125,562 44.2,563 6,564 9,565 1,567 1,570 2,572 1.666,573 1.986,574 3.234,575 -0.342,577 1,579 1,582 63.908,583 1.486,584 3.534,585 4.562,586 5.019,587 5.112,588 5.112,589 2.62,590 4.502,591 4.562,592 3.408,593 940.545,594 7.852,595 11040.4,597 1,599 1,600 233.329,601 1.564,602 4.509,603 0.241,604 0.005,605 0.078,606 0.056,607 0.05,608 0.019,609 0.027,610 0.008,611 0.014,612 0.012,613 0.509,614 0.67,615 1,616 0.566,617 113.945,618 -0.036,619 -0.079,620 0.067,621 -0.056,622 -0.077,623 0.015,624 0.255,625 0.109,626 0.133,627 0.099,628 0.211,629 0.087,630 -0.145,631 -0.241,632 -0.194,633 -0.22,634 -0.086,635 -0.22,636 -0.085,637 -0.093,638 -0.024,639 -0.097,640 0.016,641 -0.053,642 -0.026,643 -0.07,644 0.064,645 -0.054,646 0.008,647 0.013,648 -0.29,649 0.223,650 -0.137,651 0.26,652 -0.373,653 0.121,654 0.182,655 -0.03,656 0.105,657 0.024,658 0.138,659 0.038,660 -0.099,661 0.168,662 -0.391,663 -0.016,664 -0.345,665 -0.214,666 2.174,667 5.152,668 0.75,669 18.083,670 1.008,671 1.118,672 2.851,673 8.129,674 0.667,675 3.332,676 3.714,677 3.989,678 4.29,679 4.522,680 4.575,681 4.691,682 4.718,683 4.86,684 4.927,685 5.906,686 0.642,687 325.39,688 3.332,689 4.905,690 5.771,691 6.681,692 7.566,693 8.479,694 9.374,695 10.289,696 11.191,697 12.108,698 2.3,705 1,715 7,720 5,722 12,737 1,739 1,741 43,743 13,744 2,745 27,747 46,748 19,749 12,750 5,751 7,756 4,757 7,763 2,764 1,766 1,767 1,770 1,772 13,773 6,777 1,782 1,786 1,790 1,793 19,794 5,795 1,796 5,802 1,808 0.5,809 4,815 1,828 1,829 3,830 1,833 1,834 1,858 1,859 2,864 2,868 24,876 2,877 1,878 3,880 1,882 1,893 9.3,896 1,897 1,898 2,901 12.083,902 8.333,903 5.056,904 2.535,907 2.199,908 1.295,909 0.976,910 3.74,911 9.645,912 3.555,913 4.143,914 4.644,915 5.183,916 5.677,917 5.775,918 6.075,919 6.293,920 6.534,921 6.736,922 1,923 39,924 8.899,926 3.885,927 0.026,929 7.733,931 17.019,933 14.404,936 2.233,937 53.583,940 1,941 211.88,942 117.848,943 18.011,945 58.145,948 117.848,949 270.024,950 18.011,951 17.65,952 25.138,953 66.693,954 36.145,955 41.615,956 18.534,957 200.109,959 211.88,960 135.859,961 58.145,964 188.338,965 70.687,966 11,967 0.36,968 42.788,969 92.711,972 211.88,973 76.155,974 117.848,977 212.239,978 33.504,979 83.984,980 18.011,981 58.145,982 211.88,983 76.155,984 117.848,986 0.598,987 0.347,988 0.188,989 0.102,990 22,991 9,992 0.065,993 3,994 3,995 1.278,996 3.639,997 202.49,998 0.333,999 17,1000 108.039,1005 15.486,1006 5.796,1007 2.909,1009 76.155,1010 13.021,1015 4.045,1017 18.011,1018 405.883,1019 34,1024 12.152,1028 -0.508,1031 43.363,1032 48.073,1034 0.274,1035 0.651,1036 0.841,1037 0.925,1038 0.942,1039 0.942,1040 4.836,1041 1.378,1042 5.808,1043 3.566,1044 4.394,1045 4.828,1046 2.637,1047 6.693,1048 4.334,1049 6.056,1050 1.139,1051 7.418,1052 3.147,1053 4.205,1054 4.705,1055 1.784,1056 7.958,1057 4.146,1058 7.386,1059 0.741,1060 9.14,1061 2.958,1062 6.107,1063 6.962,1064 3.7,1065 11.037,1066 6.001,1067 8.749,1068 0.298,1069 10.936,1070 1.862,1071 6.723,1072 7.585,1073 3.59,1074 13.179,1075 6.627,1076 10.143,1077 0.082,1078 12.784,1079 0.791,1080 8.164,1081 9.384,1082 5.007,1083 15.898,1084 8.039,1085 11.56,1086 -0.348,1087 14.67,1088 0.193,1089 9.14,1090 10.362,1091 5.289,1092 18.36,1093 9.024,1094 12.996,1095 -0.563,1096 16.586,1097 -0.991,1098 10.433,1099 11.965,1100 6.433,1101 20.997,1102 10.301,1103 3.537,1104 -0.639,1105 18.525,1106 -1.422,1107 11.568,1108 13.129,1109 6.93,1110 23.564,1111 11.439,1112 2.841,1113 13.68,1114 20.484,1115 -1.813,1116 12.82,1117 14.634,1118 7.922,1119 26.184,1120 12.682,1121 2.615,1122 8.712,1123 22.456,1124 4.105,1125 14.023,1126 15.899,1127 8.539,1128 28.784,1129 13.884,1130 2.336,1131 8.13,1132 24.441,1133 3.787,1134 15.269,1135 17.353,1136 9.444,1137 31.4,1138 15.123,1139 2.222,1140 7.142,1141 26.434,1142 3.226,1143 16.503,1144 18.674,1145 10.13,1146 34.011,1147 16.352,1148 1.889,1149 6.686,1150 28.435,1151 2.822,1152 17.753,1153 20.101,1154 10.985,1155 36.627,1156 17.594,1157 1.414,1158 5.296,1159 30.441,1160 2.529,1161 19,1162 21.456,1163 11.71,1164 39.241,1165 18.835,1166 6355,1167 10206,1168 18.087,1169 28.676,1170 41.396,1171 42.582,1172 42.341,1173 40.885,1174 40.984,1175 50.92,1176 8.951,1177 124.326,1178 39.701,1179 5.611,1180 5.815,1181 7.263,1182 5.619,1183 5.537,1184 7.105,1185 3.889,1186 21.662,1187 5.502,1188 10.427,1189 1.533,1190 1.577,1191 1.568,1192 1.514,1193 1.518,1194 1.886,1195 0.332,1196 4.605,1197 1.47,1198 4.047,1199 4.062,1200 3.995,1201 3.949,1202 7.435,1203 3.956,1204 3.924,1205 3.956,1206 3.861,1207 3.853,1208 4.951,1209 3.85,1210 3.658,1211 3.682,1212 3.578,1213 3.517,1214 4.759,1215 3.522,1216 3.36,1217 3.38,1218 3.309,1219 3.065,1220 4.619,1221 3.121,1222 3.169,1223 3.256,1224 2.986,1225 3.012,1226 4.236,1227 2.995,1228 3.141,1229 3.205,1230 2.962,1231 2.912,1232 3.998,1233 2.917,1234 2.88,1235 2.939,1236 2.755,1237 2.705,1238 3.906,1239 2.706,1240 2.797,1241 2.876,1242 2.621,1243 2.623,1244 3.848,1245 2.608,1246 0.173,1247 0.141,1248 0.281,1249 0.168,1250 0.131,1251 4.664,1252 0.152,1253 3.815,1254 0.081,1255 7.576,1256 0.507,1257 4.528,1258 0.13,1259 3.537,1260 4.105,1261 2.186,1262 13.68,1263 3.502,1264 1.948,1265 1.932,1266 2.05,1267 2.049,1268 1.352,1269 2.047,1270 1.911,1271 1.883,1272 2.033,1273 2.004,1274 1.135,1275 2.015,1276 1.546,1277 1.504,1278 1.754,1279 1.708,1280 0.921,1281 1.721,1282 1.296,1283 1.269,1284 1.553,1285 1.612,1286 0.772,1287 1.578,1288 1.211,1289 1.157,1290 1.541,1291 1.496,1292 0.604,1293 1.47,1294 1.173,1295 1.12,1296 1.328,1297 1.418,1298 0.455,1299 1.446,1300 0.882,1301 0.798,1302 1.312,1303 1.189,1304 0.27,1305 1.243,1306 0.842,1307 0.767,1308 1.103,1309 1.045,1310 0.17,1311 1.06,1312 4.007,1314 5.371,1315 2.398,1316 6.929,1317 4.844,1318 8.581,1319 7.034,1320 10.286,1322 4.078,1328 1.433,1329 2.765,1330 16.859,1332 -0.168,1334 -0.093,1340 27.622,1341 63.908,1342 151.973,1343 196.168,1344 215.82,1345 219.82,1346 219.82,1347 35.864,1348 7.446,1349 56.79,1350 56.79,1351 23,1352 12.621,1353 3.807,1354 3,1355 34.03,1356 86,1357 76,1358 0.194,1359 165.739,1360 293.7,1361 396.163,1362 17289,1364 16.734,1365 0.697,1366 0.569,1367 16.734,1368 13.666,1369 11.533,1370 0.427,1371 0.297,1372 7.883,1373 11.04,1374 7.64,1375 6.315,1376 11.533,1377 8.007,1378 11.143,1379 0.279,1380 0.165,1381 11.143,1382 6.611,1383 9.242,1384 0.174,1385 0.088,1386 9.242,1387 4.657,1388 7.959,1389 0.111,1390 0.045,1391 7.959,1392 3.27,1393 6.515,1394 0.072,1395 0.024,1396 6.515,1397 2.16,1398 0.305,1399 72.723,1400 0.235,1401 23.386,1402 0.532,1403 134,1404 403.275,1405 150.778,1406 376.348,1407 517.63,1408 354,1409 160,1410 386.072,1411 175.619,1412 385.78,1413 571.53,1414 362,1415 7.42}
{0 CHEMBL378762,1 1.666,2 8.5,3 2.756,4 7.597,5 86.169,6 7.233,7 0.217,8 3.876,9 4.001,10 3.445,11 3.4,12 4.941,13 3.334,14 4.458,15 4.647,16 3.868,17 3.82,18 5.511,19 3.717,20 4.768,21 5.001,22 3.755,23 3.932,24 5.701,25 3.796,26 4.88,27 5.126,28 3.834,29 3.92,30 5.939,31 3.82,32 4.833,33 5.063,34 3.927,35 3.944,36 5.948,37 3.848,38 4.9,39 5.121,40 3.917,41 3.958,42 6.18,43 3.828,44 4.776,45 5.028,46 3.519,47 3.798,48 5.805,49 3.621,50 4.502,51 4.786,52 3.34,53 3.514,54 5.463,55 3.305,56 0.068,57 0.662,58 10.788,59 4.67,60 10.541,61 6.001,62 0.282,63 1.073,64 21.937,65 7.601,66 49.555,67 10.78,68 0.294,69 1.247,70 31.073,71 10.262,72 49.674,73 13.947,74 0.609,75 1.26,76 33.818,77 9.584,78 99.971,79 13.626,80 0.457,81 1.259,82 31.661,83 9.821,84 75.415,85 13.43,86 0.873,87 1.307,88 39.785,89 10.832,90 148.703,91 13.912,92 0.6,93 1.152,94 34.714,95 9.117,96 90.354,97 12.32,98 0.432,99 0.872,100 26.745,101 7.16,102 52.468,103 10.168,104 33,105 32,106 0.294,107 0.515,108 0.708,109 0.831,110 0.831,111 0.831,112 3.147,113 1.125,114 -3.68,115 -3.65,116 -3.47,121 33.3,122 2,123 7,124 1,125 1,160 2,163 1,164 1,168 1,170 1,174 1,176 10,177 1,180 5,183 3,185 3,187 12,188 2,192 6,195 1,197 5,200 7,201 2,205 1,206 7,211 6,214 7,215 3,218 1,219 8,220 1,224 4,225 1,227 8,228 2,231 1,232 10,235 2,236 1,237 3,239 8,244 5,245 1,249 1,251 6,252 1,255 1,256 3,257 1,259 1,261 1,264 4,268 1,269 2,272 1,277 2,278 1,281 712,282 14.43,283 14.43,284 14.43,285 14.43,286 14.43,287 13.485,288 17.258,289 8.538,290 14.789,291 11.265,292 11.265,293 11.265,294 11.265,295 11.265,296 9.807,297 25.238,298 3.898,299 11.834,300 3.826,301 2.575,302 1.485,303 0.789,304 0.789,305 0.789,306 3.797,310 1,311 1,312 1,313 378,314 4.123,317 143.25,325 1.318,326 31.536,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 48.5,338 187,339 4.568,340 4.026,341 7.627,342 4.505,343 3.503,344 3.768,345 2.341,346 13.9,347 3.509,348 4.078,349 3.711,350 5.905,351 3.661,352 2.706,353 3.603,354 1.907,355 8.084,356 2.647,357 3.834,358 2.859,359 5.585,360 3.536,361 2.635,362 2.994,363 0.149,364 7.651,365 2.288,366 3.232,367 2.666,368 4.923,369 2.898,370 1.96,371 2.378,373 5.384,374 1.836,375 2.88,376 2.042,377 4.495,378 2.524,379 1.557,380 1.901,382 3.956,383 1.482,384 2.654,385 2.017,386 3.962,387 2.436,388 1.432,389 1.607,391 3.131,392 1.418,393 2.287,394 1.369,395 3.618,396 2.176,397 1.174,398 1.26,400 2.593,401 1.166,402 2.201,403 1.016,404 3.583,405 1.743,406 0.752,407 1.057,409 1.716,410 0.736,411 1.845,412 0.809,413 3.276,414 1.618,415 0.699,416 0.776,418 1.464,419 0.627,420 1.618,421 0.618,422 3.135,423 1.618,424 0.618,425 0.618,427 1.359,428 0.618,429 1.022,430 0.438,431 2.807,432 0.676,433 -0.312,434 -0.321,436 -0.623,437 -0.296,438 0.682,439 0.376,440 2.467,441 0.591,442 -0.356,443 -0.43,445 -0.894,446 -0.342,447 0.472,448 -0.283,449 1.885,450 0.106,451 -0.842,452 -0.93,454 -2,455 -0.792,456 0.418,457 -0.38,458 1.601,459 0.101,460 -0.924,461 -1.017,463 -2.006,464 -0.891,465 0.104,466 -0.65,467 1.572,468 -0.027,469 -1,470 -1.316,472 -2.098,473 -1.002,474 10.533,475 0.479,476 0.621,477 0.028,478 20.75,479 0.943,480 7.5,481 0.341,482 13.25,483 0.602,484 24.971,485 1.135,486 26.067,487 0.579,488 12.95,489 0.589,490 3.207,491 0.146,492 7.258,493 0.33,494 0.19,495 0.047,496 0.237,501 0.699,502 1.259,503 0.82,504 1.081,505 0.624,506 1.085,507 0.33,508 1.279,509 0.734,510 1.145,511 0.369,512 1.079,513 0.797,514 1.183,515 1.01,516 1.188,517 0.816,518 1.13,519 1.319,520 0.877,521 0.812,522 0.776,523 1.424,524 0.887,525 1.214,526 0.98,527 0.802,528 0.862,529 1.271,530 0.922,531 1.392,532 1.012,533 1.301,534 1.09,535 1.422,536 1.023,537 1.487,538 0.964,539 1.371,540 1.035,541 1.42,542 1.072,543 0.68,544 0.988,545 1.03,546 1.093,547 0.644,548 1.068,549 6,550 0.037,551 2.889,552 1.819,553 1.405,554 0.753,555 0.526,556 0.26,557 0.161,558 0.134,559 4185,560 12216,561 1.933,562 51.1,563 17,567 2,568 4,572 1.652,573 1.772,574 3.057,575 0.393,576 1,577 1,579 1,582 74.978,583 1.666,584 2.917,585 4.007,586 4.703,587 4.703,588 4.703,589 2.495,590 4.096,591 4.429,592 3.194,593 737.801,594 7.645,595 8104.19,597 1,599 1,600 247.133,601 1.674,602 4.355,603 0.261,604 0.007,605 0.09,606 0.061,607 0.045,608 0.022,609 0.017,610 0.013,611 0.012,612 0.013,613 0.541,614 0.33,615 1,616 1.611,617 100.034,618 -0.015,619 0.054,620 0.05,621 0.071,622 -0.012,623 0.032,624 0.294,625 -0.125,626 0.188,627 -0.039,628 0.207,629 0.005,630 -0.011,631 -0.166,632 -0.077,633 -0.169,634 -0.02,635 -0.107,636 -0.132,637 0.045,638 0.02,639 0.061,640 -0.15,641 0.044,642 -0.08,643 -0.014,644 0.069,645 0.04,646 -0.064,647 0.038,648 -0.01,649 -0.027,650 -0.136,651 -0.029,652 0.032,653 -0.068,654 -0.312,655 0.01,656 -0.273,657 -0.036,658 -0.231,659 -0.132,660 0.097,661 -0.031,662 0.011,663 -0.104,664 0.039,665 -0.097,666 2.465,667 5.743,668 0.455,669 16.364,670 1.004,671 1.138,672 2.453,673 6.017,674 0.636,675 3.178,676 3.497,677 3.714,678 3.912,679 3.951,680 3.932,681 3.892,682 3.829,683 3.584,684 3.401,685 5.177,686 0.593,687 325.48,688 3.178,689 4.71,690 5.541,691 6.422,692 7.284,693 8.169,694 9.044,695 9.931,696 10.812,697 11.7,698 6.7,705 1,708 2,716 2,719 1,720 2,722 5,741 45,743 7,745 23,747 46,748 15,749 2,756 2,757 2,763 2,764 1,766 1,767 4,770 7,772 4,773 11,774 1,777 2,782 2,786 2,789 1,790 1,793 23,794 6,795 2,796 7,797 1,802 3,808 1,809 3,828 2,843 1,845 1,857 1,859 2,862 1,864 2,868 22,875 1,876 7,877 1,880 1,882 1,893 6.7,895 1,896 2,901 12.417,902 8.433,903 4.986,904 3.086,907 0.812,908 1.133,909 0.883,910 5.904,911 6.912,912 3.35,913 3.812,914 4.172,915 4.539,916 4.576,917 4.635,918 4.762,919 4.749,920 4.696,921 4.732,922 0.833,923 30,924 8.245,926 3.53,927 0.026,929 7.958,931 15.678,933 13.014,936 2.458,937 54.083,940 1,941 247.193,942 73.715,943 51.337,945 92.973,947 31.278,948 42.437,949 340.166,950 51.337,951 17.65,952 35.752,954 132.843,955 0.501,957 278.471,959 247.193,960 93.774,961 92.973,962 31.278,964 247.193,965 92.973,968 54.833,969 5.615,970 33.326,971 31.278,972 247.193,973 144.31,974 73.715,977 247.193,978 56.064,979 17.65,980 18.011,981 126.299,982 247.193,983 144.31,984 73.715,986 0.576,987 0.336,988 0.177,989 0.089,990 14,991 7,992 0.152,993 7,995 1,996 3.272,997 164.94,999 10,1000 94.107,1001 1,1005 17.33,1006 7.495,1007 4.26,1009 144.31,1011 7.826,1014 1.339,1015 1.293,1017 60.694,1018 465.218,1019 27.5,1024 24.195,1028 -0.892,1031 45.2,1032 51.195,1034 0.303,1035 0.531,1036 0.73,1037 0.856,1038 0.856,1039 0.856,1040 4.608,1041 0.752,1042 5.572,1043 2.593,1044 4.174,1045 4.494,1046 2.748,1047 6.444,1048 4.096,1049 5.796,1050 0.699,1051 7.185,1052 1.716,1053 4.007,1054 4.407,1055 2.591,1056 7.858,1057 3.92,1058 7.114,1059 0.618,1060 8.923,1061 1.464,1062 5.878,1063 6.503,1064 4.005,1065 10.903,1066 5.761,1067 8.471,1068 -0.312,1069 10.744,1070 1.359,1071 6.567,1072 7.221,1073 4.392,1074 13.191,1075 6.474,1076 9.865,1077 -0.356,1078 12.623,1079 -0.623,1080 7.973,1081 8.831,1082 5.469,1083 15.901,1084 7.87,1085 11.282,1086 -0.842,1087 14.543,1088 -0.894,1089 9,1090 9.874,1091 6.092,1092 18.441,1093 8.927,1094 12.717,1095 -0.924,1096 16.492,1097 -2,1098 10.274,1099 11.307,1100 7.032,1101 21.087,1102 10.203,1103 3.503,1104 -1,1105 18.464,1106 -2.006,1107 11.431,1108 12.491,1109 7.767,1110 23.694,1111 11.384,1112 2.706,1113 13.9,1114 20.451,1115 -2.098,1116 12.673,1117 13.853,1118 8.649,1119 26.328,1120 12.634,1121 2.635,1122 8.084,1123 22.449,1124 3.768,1125 13.882,1126 15.101,1127 9.44,1128 28.954,1129 13.859,1130 1.96,1131 7.651,1132 24.456,1133 3.603,1134 15.121,1135 16.433,1136 10.299,1137 31.586,1138 15.107,1139 1.557,1140 5.384,1141 26.469,1142 2.994,1143 16.352,1144 17.713,1145 11.117,1146 34.216,1147 16.349,1148 1.432,1149 3.956,1150 28.487,1151 2.378,1152 17.594,1153 19.032,1154 11.967,1155 36.847,1156 17.598,1157 1.174,1158 3.131,1159 30.509,1160 1.901,1161 18.836,1162 20.327,1163 12.8,1164 39.479,1165 18.847,1166 4353,1167 7568,1168 14.504,1169 28.642,1170 34.478,1171 35.022,1172 36.617,1173 34.129,1174 34.069,1175 39.923,1176 8.794,1177 98.476,1178 32.652,1179 5.537,1180 5.98,1181 7.39,1182 5.618,1183 5.503,1184 6.373,1185 3.925,1186 21.295,1187 5.478,1188 12.875,1189 1.499,1190 1.523,1191 1.592,1192 1.484,1193 1.481,1194 1.736,1195 0.382,1196 4.282,1197 1.42,1198 3.984,1199 4.023,1200 4.218,1201 3.882,1202 7.474,1203 3.871,1204 3.783,1205 3.822,1206 3.857,1207 3.732,1208 7.428,1209 3.656,1210 3.704,1211 3.756,1212 3.58,1213 3.568,1214 6.351,1215 3.558,1216 3.394,1217 3.453,1218 3.228,1219 3.202,1220 5.015,1221 3.192,1222 3.298,1223 3.345,1224 3.205,1225 3.039,1226 4.285,1227 3.07,1228 3.021,1229 3.093,1230 2.84,1231 2.794,1232 4.113,1233 2.78,1234 2.889,1235 2.979,1236 2.726,1237 2.671,1238 3.904,1239 2.635,1240 2.869,1241 2.944,1242 2.583,1243 2.549,1244 3.704,1245 2.587,1246 0.199,1247 0.175,1248 0.332,1249 0.196,1250 0.152,1251 4.568,1252 0.164,1253 4.026,1254 0.102,1255 7.627,1256 0.604,1257 4.505,1258 0.153,1259 3.503,1260 3.768,1261 2.341,1262 13.9,1263 3.509,1264 1.842,1265 1.806,1266 2.028,1267 1.987,1268 1.424,1269 1.999,1270 1.624,1271 1.573,1272 1.86,1273 1.806,1274 1.211,1275 1.823,1276 1.577,1277 1.507,1278 1.86,1279 1.751,1280 1.181,1281 1.793,1282 1.464,1283 1.433,1284 1.668,1285 1.627,1286 0.809,1287 1.661,1288 1.316,1289 1.261,1290 1.577,1291 1.586,1292 0.797,1293 1.575,1294 1.212,1295 1.148,1296 1.305,1297 1.472,1298 0.417,1299 1.462,1300 0.771,1301 0.728,1302 1.203,1303 1.172,1304 0.351,1305 1.149,1306 0.747,1307 0.675,1308 1.027,1309 1.07,1310 0.094,1311 1.089,1312 3.85,1314 5.165,1315 3.045,1316 6.658,1317 5.283,1318 8.24,1319 7.261,1320 9.876,1322 3.807,1327 9.402,1328 5.294,1329 2.845,1332 -0.454,1334 -0.572,1340 26.664,1341 74.978,1342 131.243,1343 180.321,1344 211.624,1345 211.624,1346 211.624,1347 66.023,1348 6.1,1349 92.18,1350 120.42,1351 10,1352 12.232,1353 3,1354 2.459,1355 41.891,1356 64,1357 72,1358 0.313,1359 171.662,1360 299.76,1361 410.615,1362 2493,1364 16.165,1365 0.735,1366 0.632,1367 16.518,1368 13.91,1369 10.465,1370 0.455,1371 0.375,1372 7.794,1373 9.593,1374 7.493,1375 6.257,1376 10.873,1377 8.627,1378 9.487,1379 0.296,1380 0.227,1381 10.242,1382 7.277,1383 7.406,1384 0.185,1385 0.129,1386 8.061,1387 5.166,1388 5.83,1389 0.119,1390 0.079,1391 6.524,1392 3.872,1393 4.036,1394 0.079,1395 0.045,1396 4.48,1397 2.287,1398 0.474,1399 69.922,1400 0.263,1401 21.396,1402 0.911,1403 110,1404 342.104,1405 149.485,1406 345.448,1407 452.3,1408 318,1409 127,1410 304.761,1411 157.35,1412 319.634,1413 462.11,1414 299,1415 5.523}
{0 CHEMBL378763,1 1.635,2 9.217,3 3.423,4 11.718,5 90.796,6 7.073,7 0.208,8 3.934,9 4.062,10 3.481,11 3.457,12 4.977,13 3.387,14 4.521,15 4.714,16 3.895,17 3.877,18 5.546,19 3.767,20 4.836,21 5.078,22 3.84,23 3.997,24 5.745,25 3.854,26 4.928,27 5.169,28 3.896,29 3.989,30 5.986,31 3.88,32 4.881,33 5.112,34 3.958,35 3.987,36 5.987,37 3.888,38 4.925,39 5.146,40 3.942,41 3.988,42 6.193,43 3.861,44 4.822,45 5.077,46 3.588,47 3.852,48 5.846,49 3.68,50 4.574,51 4.845,52 3.451,53 3.614,54 5.56,55 3.428,56 0.06,57 0.7,58 11.716,59 5.012,60 9.566,61 6.519,62 0.276,63 1.135,64 23.553,65 8.164,66 48.843,67 11.648,68 0.272,69 1.33,70 32.991,71 10.989,72 46.974,73 15.045,74 0.605,75 1.357,76 37.744,77 10.334,78 96.525,79 14.432,80 0.439,81 1.33,82 33.238,83 10.056,84 72.641,85 14.033,86 0.865,87 1.353,88 40.543,89 10.832,90 144.764,91 14.152,92 0.556,93 1.209,94 35.826,95 9.574,96 84.754,97 13.08,98 0.474,99 0.944,100 28.247,101 7.636,102 61.538,103 10.755,104 38,105 33,106 0.285,107 0.502,108 0.701,109 0.837,110 0.837,111 0.837,112 3.188,113 1.148,114 -3.93,115 -3.89,116 -3.69,121 33.3,122 2,123 8,124 1,125 1,160 2,163 1,164 1,168 1,170 1,174 1,176 11,177 1,180 5,183 3,185 3,187 12,188 2,192 7,195 1,197 5,200 8,201 2,205 1,206 8,211 6,214 7,215 3,218 1,219 8,220 1,224 5,225 1,227 8,228 2,231 1,232 10,235 2,236 1,237 3,239 8,244 6,245 1,249 1,251 7,252 1,255 1,256 3,257 1,259 1,261 1,264 7,268 1,269 2,272 1,277 5,278 1,281 803,282 15.3,283 15.3,284 15.3,285 15.3,286 15.3,287 14.408,288 18.47,289 9.041,290 15.618,291 11.693,292 11.693,293 11.693,294 11.693,295 11.693,296 10.23,297 25.238,298 4.044,299 12.245,300 3.95,301 2.702,302 1.559,303 0.781,304 0.781,305 0.781,306 3.841,310 1,311 1,312 1,313 428,314 4.243,317 150.694,325 1.376,326 32.301,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 50.5,338 212,339 4.568,340 4.026,341 7.627,342 4.505,343 3.503,344 3.78,345 2.341,346 13.9,347 3.509,348 4.103,349 3.711,350 5.905,351 3.664,352 2.734,353 3.613,354 1.907,355 8.097,356 2.647,357 3.835,358 2.895,359 5.658,360 3.576,361 2.642,362 2.994,363 0.149,364 7.865,365 2.333,366 3.284,367 2.697,368 5.045,369 2.97,370 2.037,371 2.44,373 5.853,374 1.898,375 2.91,376 2.144,377 4.617,378 2.576,379 1.593,380 1.927,382 4.082,383 1.542,384 2.654,385 2.023,386 3.962,387 2.439,388 1.433,389 1.607,391 3.132,392 1.424,393 2.291,394 1.369,395 3.618,396 2.194,397 1.189,398 1.266,400 2.604,401 1.187,402 2.214,403 1.016,404 3.585,405 1.758,406 0.78,407 1.082,409 1.756,410 0.753,411 1.845,412 0.893,413 3.292,414 1.67,415 0.709,416 0.776,418 1.464,419 0.669,420 1.618,421 0.618,422 3.144,423 1.618,424 0.618,425 0.618,427 1.36,428 0.618,429 1.498,430 0.466,431 2.855,432 1.245,433 0.336,434 0.382,436 0.492,437 0.299,438 0.973,439 0.424,440 2.508,441 0.675,442 -0.322,443 -0.324,445 -0.626,446 -0.32,447 0.682,448 0.252,449 2.464,450 0.547,451 -0.414,452 -0.519,454 -1.046,455 -0.391,456 0.472,457 -0.296,458 1.857,459 0.105,460 -0.924,461 -0.935,463 -2,464 -0.891,465 0.132,466 -0.604,467 1.572,468 -0.026,469 -1,470 -1.308,472 -2.097,473 -1.002,474 11.033,475 0.48,476 0.583,477 0.025,478 21.25,479 0.924,480 7.5,481 0.326,482 13.75,483 0.598,484 26.841,485 1.167,486 27.367,487 0.57,488 13.294,489 0.578,490 3.145,491 0.137,492 7.858,493 0.342,494 0.181,495 0.045,496 0.227,501 0.697,502 1.271,503 0.837,504 1.101,505 0.622,506 1.106,507 0.332,508 1.29,509 0.755,510 1.162,511 0.375,512 1.102,513 0.769,514 1.157,515 0.93,516 1.117,517 0.798,518 1.068,519 1.387,520 0.944,521 1.029,522 0.918,523 1.459,524 0.923,525 1.266,526 1.022,527 0.838,528 0.884,529 1.301,530 0.946,531 1.483,532 1.008,533 1.339,534 1.083,535 1.492,536 1.02,537 1.473,538 0.974,539 1.335,540 1.037,541 1.405,542 1.049,543 0.894,544 0.938,545 1.059,546 1.036,547 0.912,548 1.026,549 6,550 0.07,551 2.889,552 1.819,553 1.53,554 0.753,555 0.567,556 0.26,557 0.161,558 0.159,559 4778,560 13177,561 1.936,562 52.1,563 20,567 2,568 3,572 1.663,573 1.781,574 3.158,575 0.364,577 1,582 78.472,583 1.635,584 2.883,585 4.026,586 4.804,587 4.804,588 4.804,589 2.682,590 4.056,591 4.492,592 3.296,593 833.852,594 7.768,595 9461.07,597 1,599 1,600 268.078,601 1.644,602 4.423,603 0.25,604 0.01,605 0.088,606 0.057,607 0.046,608 0.022,609 0.018,610 0.012,611 0.009,612 0.012,613 0.523,614 0.33,615 1,616 1.649,617 106.736,618 -0.009,619 0.051,620 0.051,621 0.067,622 -0.008,623 0.03,624 0.292,625 -0.131,626 0.174,627 -0.05,628 0.198,629 -0.01,630 0.015,631 -0.147,632 0.008,633 -0.1,634 -0.008,635 -0.045,636 -0.152,637 0.033,638 -0.05,639 0.018,640 -0.155,641 0.022,642 -0.091,643 -0.032,644 0.046,645 0.018,646 -0.067,647 0.01,648 -0.025,649 0.004,650 -0.152,651 -0.023,652 0.022,653 -0.072,654 -0.282,655 0.009,656 -0.234,657 -0.033,658 -0.198,659 -0.105,660 0.031,661 0.035,662 -0.013,663 -0.044,664 -0.009,665 -0.061,666 2.463,667 5.831,668 0.435,669 17.822,670 1.002,671 1.138,672 2.702,673 7.302,674 0.633,675 3.219,676 3.526,677 3.761,678 3.951,679 4.007,680 4.007,681 3.951,682 3.932,683 3.738,684 3.611,685 5.461,686 0.587,687 339.51,688 3.219,689 4.745,690 5.58,691 6.457,692 7.322,693 8.205,694 9.081,695 9.967,696 10.849,697 11.737,698 6.3,705 1,708 2,716 2,719 1,720 2,722 5,741 48,743 7,745 24,747 49,748 16,749 2,756 2,757 2,763 2,764 1,766 1,767 4,770 8,772 4,773 12,774 1,777 2,782 2,786 2,789 1,790 1,793 25,794 6,795 2,796 7,797 1,802 3,808 1,809 3,828 2,843 1,845 1,857 1,859 2,862 1,864 2,868 23,875 1,876 8,877 1,880 1,882 1,893 6.3,895 1,896 2,901 12.917,902 8.933,903 5.319,904 3.461,907 0.844,908 1.136,909 0.883,910 6.518,911 7.052,912 3.384,913 3.834,914 4.218,915 4.586,916 4.665,917 4.777,918 4.845,919 4.886,920 4.839,921 4.888,922 1,923 32,924 8.629,926 3.679,927 0.026,929 7.917,931 16.495,933 13.676,936 2.417,937 55.583,940 1,941 270.735,942 76.249,943 51.337,945 92.973,947 31.278,948 44.972,949 363.709,950 51.337,951 17.65,952 38.287,954 132.843,955 0.501,957 302.013,959 270.735,960 96.308,961 92.973,962 31.278,964 270.735,965 92.973,968 57.368,969 5.615,970 33.326,971 31.278,972 270.735,973 144.31,974 76.249,977 270.735,978 58.599,979 17.65,980 18.011,981 126.299,982 270.735,983 144.31,984 76.249,986 0.57,987 0.341,988 0.178,989 0.091,990 14,991 7,992 0.163,993 8,995 1,996 3.367,997 174.753,999 10,1000 100.042,1001 1,1005 18.315,1006 8.185,1007 4.498,1009 144.31,1011 8.016,1014 1.384,1015 1.399,1017 60.694,1018 491.295,1019 28.5,1024 24.322,1028 -0.883,1031 48.083,1032 54.61,1034 0.293,1035 0.516,1036 0.721,1037 0.86,1038 0.86,1039 0.86,1040 4.637,1041 0.78,1042 5.602,1043 2.604,1044 4.205,1045 4.516,1046 2.748,1047 6.472,1048 4.128,1049 5.817,1050 0.709,1051 7.213,1052 1.756,1053 4.007,1054 4.407,1055 2.591,1056 7.879,1057 3.92,1058 7.133,1059 0.618,1060 8.949,1061 1.464,1062 5.905,1063 6.523,1064 4.005,1065 10.921,1066 5.787,1067 8.489,1068 0.336,1069 10.768,1070 1.36,1071 6.581,1072 7.238,1073 4.392,1074 13.201,1075 6.484,1076 9.882,1077 -0.322,1078 12.644,1079 0.492,1080 7.995,1081 8.853,1082 5.469,1083 15.908,1084 7.885,1085 11.3,1086 -0.414,1087 14.561,1088 -0.626,1089 9.014,1090 9.897,1091 6.092,1092 18.445,1093 8.934,1094 12.735,1095 -0.924,1096 16.507,1097 -1.046,1098 10.289,1099 11.333,1100 7.032,1101 21.09,1102 10.211,1103 3.503,1104 -1,1105 18.476,1106 -2,1107 11.442,1108 12.519,1109 7.767,1110 23.696,1111 11.388,1112 2.734,1113 13.9,1114 20.46,1115 -2.097,1116 12.683,1117 13.884,1118 8.649,1119 26.329,1120 12.638,1121 2.642,1122 8.097,1123 22.457,1124 3.78,1125 13.89,1126 15.135,1127 9.44,1128 28.954,1129 13.861,1130 2.037,1131 7.865,1132 24.462,1133 3.613,1134 15.128,1135 16.47,1136 10.299,1137 31.586,1138 15.109,1139 1.593,1140 5.853,1141 26.474,1142 2.994,1143 16.358,1144 17.752,1145 11.117,1146 34.216,1147 16.35,1148 1.433,1149 4.082,1150 28.491,1151 2.44,1152 17.6,1153 19.075,1154 11.967,1155 36.848,1156 17.599,1157 1.189,1158 3.132,1159 30.511,1160 1.927,1161 18.84,1162 20.373,1163 12.8,1164 39.479,1165 18.848,1166 4972,1167 8387,1168 15.197,1169 30.404,1170 35.515,1171 36.066,1172 38.119,1173 35.164,1174 35.15,1175 40.97,1176 8.794,1177 101.211,1178 33.757,1179 5.537,1180 5.98,1181 7.39,1182 5.624,1183 5.503,1184 6.393,1185 3.925,1186 21.295,1187 5.478,1188 13.383,1189 1.48,1190 1.503,1191 1.588,1192 1.465,1193 1.465,1194 1.707,1195 0.366,1196 4.217,1197 1.407,1198 3.985,1199 4.025,1200 4.223,1201 3.885,1202 7.474,1203 3.873,1204 3.804,1205 3.843,1206 3.857,1207 3.752,1208 7.428,1209 3.683,1210 3.705,1211 3.757,1212 3.58,1213 3.569,1214 6.351,1215 3.559,1216 3.405,1217 3.475,1218 3.251,1219 3.213,1220 5.008,1221 3.205,1222 3.373,1223 3.435,1224 3.215,1225 3.167,1226 4.285,1227 3.157,1228 3.183,1229 3.228,1230 3.089,1231 2.961,1232 4.113,1233 2.967,1234 2.934,1235 2.979,1236 2.782,1237 2.671,1238 4.016,1239 2.635,1240 2.869,1241 2.974,1242 2.583,1243 2.581,1244 3.779,1245 2.63,1246 0.19,1247 0.168,1248 0.318,1249 0.188,1250 0.146,1251 4.568,1252 0.158,1253 4.026,1254 0.098,1255 7.627,1256 0.579,1257 4.505,1258 0.146,1259 3.503,1260 3.78,1261 2.341,1262 13.9,1263 3.509,1264 1.842,1265 1.806,1266 2.028,1267 1.987,1268 1.424,1269 1.999,1270 1.627,1271 1.58,1272 1.86,1273 1.806,1274 1.211,1275 1.824,1276 1.589,1277 1.537,1278 1.86,1279 1.757,1280 1.181,1281 1.796,1282 1.577,1283 1.507,1284 1.837,1285 1.751,1286 1.051,1287 1.793,1288 1.323,1289 1.271,1290 1.577,1291 1.587,1292 0.807,1293 1.576,1294 1.225,1295 1.178,1296 1.305,1297 1.477,1298 0.443,1299 1.462,1300 0.911,1301 0.835,1302 1.203,1303 1.191,1304 0.404,1305 1.185,1306 0.771,1307 0.727,1308 1.119,1309 1.172,1310 0.202,1311 1.149,1312 3.892,1314 5.198,1315 3.045,1316 6.691,1317 5.283,1318 8.273,1319 7.273,1320 9.908,1322 3.97,1327 9.434,1328 6.091,1329 2.879,1332 -0.454,1334 -0.573,1340 28.191,1341 78.472,1342 138.385,1343 193.265,1344 230.568,1345 230.568,1346 230.568,1347 71.468,1348 6.209,1349 92.18,1350 120.42,1351 10,1352 12.269,1353 3,1354 2.459,1355 44.988,1356 71,1357 87,1358 0.304,1359 181.254,1360 317.06,1361 434.02,1362 2918,1364 16.872,1365 0.734,1366 0.636,1367 17.226,1368 14.617,1369 11.003,1370 0.458,1371 0.383,1372 8.355,1373 10.167,1374 8.057,1375 6.735,1376 11.411,1377 9.187,1378 9.656,1379 0.293,1380 0.224,1381 10.352,1382 7.386,1383 7.83,1384 0.186,1385 0.134,1386 8.595,1387 5.639,1388 6.055,1389 0.119,1390 0.08,1391 6.783,1392 4.06,1393 4.258,1394 0.079,1395 0.046,1396 4.771,1397 2.462,1398 0.464,1399 73.15,1400 0.257,1401 22.326,1402 0.871,1403 114,1404 346.104,1405 153.485,1406 349.332,1407 459.08,1408 322,1409 132,1410 310.761,1411 164.187,1412 325.063,1413 472.35,1414 305,1415 5.523}
{0 CHEMBL379065,1 1.597,2 11.286,3 4.455,4 19.851,5 110.891,6 7.301,7 0.367,8 4.078,9 4.197,10 3.655,11 3.65,12 5.143,13 3.586,14 4.643,15 4.817,16 4.056,17 4.069,18 5.689,19 3.968,20 4.966,21 5.195,22 4,23 4.191,24 5.883,25 4.051,26 5.063,27 5.301,28 4.015,29 4.169,30 6.087,31 4.047,32 5.021,33 5.256,34 4.094,35 4.167,36 6.074,37 4.063,38 5.047,39 5.259,40 4.162,41 4.198,42 6.302,43 4.086,44 5.035,45 5.269,46 3.959,47 4.13,48 6.139,49 4.006,50 4.822,51 5.039,52 3.938,53 4.026,54 5.933,55 3.905,56 0.056,57 0.795,58 12.537,59 5.713,60 10.311,61 7.271,62 0.262,63 1.32,64 24.876,65 9.582,66 48.844,67 13.148,68 0.247,69 1.621,70 36.18,71 13.312,72 48.255,73 17.676,74 0.587,75 1.679,76 42.008,77 12.999,78 99.715,79 17.266,80 0.439,81 1.629,82 37.46,83 12.497,84 74.644,85 16.765,86 0.738,87 1.693,88 43.503,89 13.478,90 133.993,91 16.911,92 0.624,93 1.616,94 42.665,95 12.723,96 105.677,97 16.196,98 0.438,99 1.38,100 33.08,101 10.865,102 69.432,103 14.261,104 21,105 41,106 0.266,107 0.565,108 0.725,109 0.83,110 0.838,111 0.838,112 3.375,113 1.074,114 -4.85,115 -4.76,116 -4.47,121 38.2,122 1,123 8,124 1,125 1,144 5,145 1,160 2,163 1,164 1,168 1,170 1,174 1,176 17,177 1,180 5,183 3,185 3,187 20,188 2,192 7,195 1,197 5,200 15,201 2,205 1,206 8,211 6,214 12,215 3,218 1,219 8,220 1,224 5,225 1,227 13,228 4,231 1,232 12,235 2,236 1,237 5,239 13,240 2,244 8,245 1,249 3,251 14,252 2,255 1,256 6,257 1,259 1,261 4,264 16,268 1,269 4,272 1,274 2,277 11,278 1,281 1386,282 18.861,283 18.861,284 18.861,285 18.861,286 18.861,287 17.217,288 22.108,289 11.197,290 19.179,291 14.711,292 14.711,293 14.711,294 14.711,295 14.711,296 12.203,297 28.179,298 5.193,299 15.262,300 4.184,301 2.385,302 1.421,303 0.791,304 0.741,305 0.741,306 4.051,311 1,312 1,313 665,314 4.301,317 186.253,318 114.23,325 1.755,326 34.654,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 60.5,338 316,339 4.568,340 4.026,341 7.627,342 4.505,343 3.503,344 3.78,345 2.341,346 13.9,347 3.509,348 4.103,349 3.712,350 5.911,351 3.69,352 2.737,353 3.613,354 1.907,355 8.126,356 2.678,357 3.921,358 2.896,359 5.658,360 3.58,361 2.67,362 3.446,363 0.149,364 7.871,365 2.47,366 3.805,367 2.726,368 5.331,369 3.471,370 2.471,371 2.99,373 6.921,374 2.333,375 3.284,376 2.689,377 5.045,378 2.97,379 2.037,380 2.44,382 5.853,383 1.898,384 2.939,385 2.143,386 4.617,387 2.576,388 1.593,389 2.103,391 4.082,392 1.543,393 2.908,394 1.98,395 3.962,396 2.542,397 1.54,398 1.927,400 3.283,401 1.537,402 2.571,403 1.564,404 3.693,405 2.304,406 1.298,407 1.515,409 2.991,410 1.29,411 2.5,412 1.347,413 3.618,414 2.085,415 1.08,416 1.5,418 2.493,419 1.077,420 2.252,421 1,422 3.478,423 2,424 1,425 1.203,427 2.136,428 1,429 2.202,430 0.893,431 3.29,432 1.689,433 0.754,434 1.071,436 1.751,437 0.692,438 1.618,439 0.65,440 3.247,441 1.618,442 0.618,443 0.618,445 1.464,446 0.618,447 1.595,448 0.618,449 3.132,450 1.447,451 0.447,452 0.492,454 1.08,455 0.444,456 1.498,457 0.465,458 2.858,459 1.245,460 0.335,461 0.38,463 0.491,464 0.299,465 0.973,466 0.399,467 2.611,468 0.577,469 -0.403,470 -0.46,472 -1.036,473 -0.379,474 13.533,475 0.483,476 0.651,477 0.023,478 30.25,479 1.08,480 13.5,481 0.482,482 16.75,483 0.598,484 30.445,485 1.087,486 31.467,487 0.572,488 20.841,489 0.744,490 5.127,491 0.183,492 8.394,493 0.3,494 0.111,495 0.037,496 0.222,501 0.685,502 1.128,503 0.809,504 1.004,505 0.616,506 1.004,507 0.345,508 1.233,509 0.796,510 1.144,511 0.396,512 1.097,513 0.779,514 1.148,515 0.981,516 1.135,517 0.816,518 1.106,519 1.375,520 0.956,521 1.061,522 0.954,523 1.454,524 0.972,525 1.241,526 0.939,527 0.824,528 0.84,529 1.292,530 0.894,531 1.313,532 1.049,533 1.253,534 1.123,535 1.302,536 1.018,537 1.736,538 0.879,539 1.263,540 0.936,541 1.708,542 0.934,543 1.038,544 1.061,545 1.036,546 1.101,547 1.078,548 1.066,549 6.5,550 0.087,551 3.111,552 1.757,553 1.601,554 0.955,555 0.731,556 0.444,557 0.257,558 0.224,559 9350,560 24796,561 2.025,562 49.1,563 17,564 5,567 2,568 3,572 1.715,573 1.898,574 3.432,575 0.247,577 1,582 87.844,583 1.597,584 3.396,585 4.361,586 4.99,587 5.04,588 5.04,589 2.914,590 4.379,591 4.775,592 3.589,593 1356.61,594 8.33,595 18018.6,597 1,599 1,600 317.975,601 1.486,602 4.731,603 0.217,604 0.005,605 0.076,606 0.045,607 0.042,608 0.023,609 0.017,610 0.012,611 0.008,612 0.009,613 0.453,614 0.17,615 1,616 0.845,617 140.505,618 -0.004,619 0.082,620 0.051,621 0.08,622 -0.007,623 0.047,624 0.279,625 -0.124,626 0.121,627 -0.075,628 0.182,629 -0.051,630 0.007,631 -0.153,632 -0.039,633 -0.13,634 -0.02,635 -0.095,636 -0.139,637 0.015,638 -0.079,639 -0.014,640 -0.159,641 -0.025,642 -0.066,643 0.026,644 0.073,645 0.062,646 -0.069,647 0.056,648 0.074,649 -0.026,650 -0.093,651 -0.067,652 0.12,653 -0.06,654 -0.298,655 0.099,656 -0.17,657 0.05,658 -0.211,659 0.003,660 0.021,661 -0.046,662 -0.031,663 -0.095,664 0.004,665 -0.084,666 2.487,667 6.101,668 0.571,669 26.75,670 0.999,671 1.128,672 3.618,673 13.088,674 0.658,675 3.434,676 3.738,677 3.97,678 4.159,679 4.263,680 4.263,681 4.277,682 4.344,683 4.277,684 4.263,685 6.545,686 0.613,687 401.58,688 3.434,689 4.963,690 5.796,691 6.663,692 7.52,693 8.393,694 9.261,695 10.138,696 11.012,697 11.892,698 5.5,705 1,708 2,715 5,716 2,719 1,720 3,722 11,741 55,743 13,744 1,745 30,747 57,748 21,749 8,750 1,751 5,756 3,757 3,763 1,764 1,766 1,767 4,770 8,772 10,773 11,774 1,777 2,782 2,786 2,790 1,793 27,794 6,795 2,796 7,797 1,802 3,808 1,809 3,828 2,829 1,843 1,845 1,857 1,859 3,862 1,864 1,868 28,875 1,876 8,877 1,880 1,882 1,893 5.5,895 1,896 2,901 14.75,902 9.85,903 6.319,904 3.697,907 1.43,908 1.212,909 0.919,910 7.172,911 8.177,912 3.651,913 4.139,914 4.56,915 4.961,916 5.188,917 5.146,918 5.262,919 5.409,920 5.517,921 5.656,922 0.875,923 39,924 10.49,926 4.522,927 0.026,929 7.83,931 20.098,933 16.827,936 2.33,937 65.25,939 1,940 1,941 294.278,942 117.991,943 51.337,945 92.973,947 31.278,948 86.713,949 387.251,950 51.337,951 8.825,952 38.287,953 47.381,954 132.843,955 3.686,957 325.555,959 294.278,960 138.05,961 92.973,962 31.278,964 294.278,965 92.973,968 48.543,969 56.181,970 33.326,971 31.278,972 294.278,973 144.31,974 117.991,977 294.278,978 61.784,979 56.206,980 18.011,981 126.299,982 294.278,983 144.31,984 117.991,986 0.574,987 0.337,988 0.171,989 0.088,990 18,991 8,992 0.158,993 9,995 1,996 3.931,997 233.667,999 16,1000 126.606,1001 1,1005 20.917,1006 9.601,1007 5.389,1009 144.31,1010 9.899,1011 8.089,1014 1.381,1015 2.506,1017 60.694,1018 556.578,1019 37.5,1024 25.023,1028 -0.922,1031 54.967,1032 62.026,1034 0.276,1035 0.587,1036 0.754,1037 0.863,1038 0.872,1039 0.872,1040 4.888,1041 1.298,1042 5.796,1043 3.283,1044 4.419,1045 4.824,1046 2.748,1047 6.629,1048 4.358,1049 6.066,1050 1.08,1051 7.378,1052 2.991,1053 4.111,1054 4.559,1055 2.591,1056 7.938,1057 4.033,1058 7.367,1059 1,1060 9.084,1061 2.493,1062 6.075,1063 6.853,1064 4.005,1065 10.982,1066 5.976,1067 8.705,1068 0.754,1069 10.875,1070 2.136,1071 6.661,1072 7.398,1073 4.392,1074 13.223,1075 6.571,1076 10.08,1077 0.618,1078 12.726,1079 1.751,1080 8.107,1081 9.167,1082 5.469,1083 15.925,1084 8.01,1085 11.479,1086 0.447,1087 14.623,1088 1.464,1089 9.071,1090 10.062,1091 6.092,1092 18.452,1093 8.995,1094 12.896,1095 0.335,1096 16.554,1097 1.08,1098 10.355,1099 11.615,1100 7.032,1101 21.094,1102 10.282,1103 3.503,1104 -0.403,1105 18.51,1106 0.491,1107 11.479,1108 12.682,1109 7.767,1110 23.698,1111 11.427,1112 2.737,1113 13.9,1114 20.485,1115 -1.036,1116 12.72,1117 14.13,1118 8.649,1119 26.331,1120 12.676,1121 2.67,1122 8.126,1123 22.475,1124 3.78,1125 13.913,1126 15.291,1127 9.44,1128 28.955,1129 13.885,1130 2.471,1131 7.871,1132 24.475,1133 3.613,1134 15.148,1135 16.681,1136 10.299,1137 31.586,1138 15.129,1139 2.037,1140 6.921,1141 26.483,1142 3.446,1143 16.371,1144 17.898,1145 11.117,1146 34.216,1147 16.363,1148 1.593,1149 5.853,1150 28.497,1151 2.99,1152 17.611,1153 19.256,1154 11.967,1155 36.848,1156 17.61,1157 1.54,1158 4.082,1159 30.516,1160 2.44,1161 18.848,1162 20.506,1163 12.8,1164 39.479,1165 18.856,1166 9168,1167 15078,1168 19.761,1169 36.165,1170 44.53,1171 45.037,1172 46.401,1173 44.193,1174 44.166,1175 54.154,1176 8.794,1177 124.884,1178 42.773,1179 5.543,1180 6.026,1181 7.429,1182 5.624,1183 5.503,1184 6.78,1185 3.925,1186 21.296,1187 5.509,1188 13.553,1189 1.484,1190 1.501,1191 1.547,1192 1.473,1193 1.472,1194 1.805,1195 0.293,1196 4.163,1197 1.426,1198 4.001,1199 4.039,1200 4.223,1201 3.913,1202 7.474,1203 3.903,1204 3.9,1205 3.934,1206 3.886,1207 3.831,1208 7.428,1209 3.819,1210 3.801,1211 3.842,1212 3.806,1213 3.75,1214 6.351,1215 3.682,1216 3.639,1217 3.676,1218 3.536,1219 3.497,1220 5.008,1221 3.495,1222 3.39,1223 3.465,1224 3.248,1225 3.189,1226 4.751,1227 3.182,1228 3.225,1229 3.284,1230 3.09,1231 3.065,1232 4.275,1233 3.049,1234 3.179,1235 3.211,1236 3.083,1237 2.94,1238 4.017,1239 2.957,1240 2.909,1241 2.979,1242 2.765,1243 2.735,1244 3.966,1245 2.715,1246 0.152,1247 0.134,1248 0.254,1249 0.15,1250 0.117,1251 4.568,1252 0.126,1253 4.026,1254 0.078,1255 7.627,1256 0.463,1257 4.505,1258 0.117,1259 3.503,1260 3.78,1261 2.341,1262 13.9,1263 3.509,1264 1.935,1265 1.904,1266 2.078,1267 2.029,1268 1.427,1269 2.046,1270 1.806,1271 1.774,1272 1.961,1273 1.935,1274 1.222,1275 1.943,1276 1.597,1277 1.553,1278 1.86,1279 1.757,1280 1.211,1281 1.797,1282 1.577,1283 1.507,1284 1.837,1285 1.751,1286 1.051,1287 1.793,1288 1.531,1289 1.487,1290 1.741,1291 1.728,1292 0.989,1293 1.724,1294 1.25,1295 1.2,1296 1.414,1297 1.494,1298 0.656,1299 1.481,1300 1.143,1301 1.103,1302 1.305,1303 1.404,1304 0.438,1305 1.391,1306 0.911,1307 0.835,1308 1.181,1309 1.191,1310 0.266,1311 1.185,1312 4.111,1314 5.416,1315 3.045,1316 6.905,1317 5.283,1318 8.477,1319 7.273,1320 10.096,1322 1.995,1327 9.781,1328 5.753,1329 2.911,1332 -0.537,1334 -0.627,1340 33.717,1341 87.844,1342 186.807,1343 239.836,1344 274.465,1345 277.22,1346 277.22,1347 76.454,1348 6.748,1349 92.18,1350 120.42,1351 16,1352 12.429,1353 3.807,1354 3.087,1355 49.457,1356 105,1357 122,1358 0.221,1359 213.04,1360 372.38,1361 511.578,1362 6458,1364 19.985,1365 0.714,1366 0.607,1367 20.338,1368 17.004,1369 13.521,1370 0.451,1371 0.358,1372 9.912,1373 12.685,1374 9.609,1375 7.97,1376 13.929,1377 10.745,1378 11.949,1379 0.291,1380 0.21,1381 12.644,1382 8.622,1383 9.841,1384 0.189,1385 0.127,1386 10.606,1387 6.626,1388 7.609,1389 0.121,1390 0.075,1391 8.337,1392 4.697,1393 5.564,1394 0.079,1395 0.043,1396 6.077,1397 3.014,1398 0.344,1399 88.256,1400 0.225,1401 26.758,1402 0.613,1403 142,1404 406.104,1405 181.485,1406 412.396,1407 548.41,1408 382,1409 164,1410 376.761,1411 196.187,1412 394.57,1413 570.9,1414 371,1415 5.523}
{0 CHEMBL379563,1 1.623,2 10.889,3 4.421,4 19.542,5 106.342,6 7.453,7 0.379,8 4.028,9 4.145,10 3.625,11 3.603,12 5.112,13 3.543,14 4.587,15 4.756,16 4.032,17 4.022,18 5.658,19 3.927,20 4.91,21 5.138,22 4.016,23 4.145,24 5.85,25 4.013,26 5.009,27 5.245,28 4.094,29 4.133,30 6.07,31 4.021,32 4.957,33 5.18,34 4.128,35 4.116,36 6.077,37 4.018,38 4.98,39 5.194,40 4.052,41 4.078,42 6.257,43 3.963,44 4.864,45 5.112,46 3.731,47 3.939,48 5.912,49 3.79,50 4.639,51 4.896,52 3.686,53 3.758,54 5.702,55 3.62,56 0.059,57 0.756,58 11.584,59 5.359,60 11.079,61 6.73,62 0.261,63 1.255,64 23.155,65 8.988,66 49.385,67 12.222,68 0.237,69 1.538,70 33.154,71 12.524,72 50.254,73 16.588,74 0.586,75 1.616,76 40.518,77 12.452,78 102.411,79 16.081,80 0.445,81 1.578,82 37.261,83 11.861,84 79.189,85 15.212,86 0.881,87 1.581,88 42.78,89 12.028,90 150.133,91 14.657,92 0.541,93 1.407,94 36.969,95 10.557,96 84.277,97 13.593,98 0.471,99 1.119,100 29.575,101 8.75,102 63.252,103 11.611,104 24,105 40,106 0.273,107 0.565,108 0.699,109 0.825,110 0.834,111 0.834,112 3.34,113 1.064,114 -4.89,115 -4.8,116 -4.5,121 38.5,122 1,123 7,124 1,125 1,144 5,145 1,160 2,163 1,164 1,168 1,170 1,174 1,176 16,177 1,180 5,183 3,185 3,187 18,188 2,192 8,195 1,197 5,200 12,201 2,205 1,206 11,211 6,214 9,215 3,218 1,219 11,220 1,224 6,225 1,227 9,228 2,231 1,232 11,235 2,236 1,237 5,239 8,244 7,245 1,249 2,251 8,252 1,255 1,256 5,257 1,259 1,261 1,264 12,268 1,269 3,272 1,277 15,278 1,281 1158,282 18.206,283 18.206,284 18.206,285 18.206,286 18.206,287 16.625,288 14.832,289 10.898,290 18.508,291 14.253,292 14.253,293 14.253,294 14.253,295 14.253,296 11.873,297 21.85,298 5.027,299 14.768,300 4.078,301 2.345,302 1.547,303 0.798,304 0.745,305 0.745,306 4.016,311 1,312 1,313 617,314 4.183,317 172.635,318 101.34,325 1.605,326 33.807,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 58.5,338 294,339 4.569,340 4.026,341 7.627,342 4.505,343 3.503,344 3.962,345 2.341,346 13.9,347 3.509,348 4.286,349 3.711,350 6.182,351 3.834,352 2.917,353 3.668,354 1.907,355 9.229,356 2.7,357 3.844,358 2.946,359 5.904,360 3.655,361 2.653,362 3.247,363 0.149,364 8.071,365 2.645,366 3.74,367 2.735,368 5.39,369 3.289,370 2.373,371 2.991,373 7.006,374 2.144,375 3.186,376 2.366,377 4.779,378 2.79,379 1.81,380 2.398,382 4.673,383 1.762,384 2.944,385 2.024,386 4.294,387 2.559,388 1.575,389 1.992,391 3.814,392 1.535,393 2.654,394 1.73,395 3.962,396 2.44,397 1.434,398 1.607,400 3.132,401 1.425,402 2.529,403 1.369,404 3.618,405 2.227,406 1.228,407 1.531,409 2.689,410 1.222,411 2.5,412 1.144,413 3.588,414 2,415 1.017,416 1.5,418 2.464,419 1,420 2.279,421 1.016,422 3.484,423 1.98,424 1,425 1.243,427 2.136,428 0.966,429 2.168,430 1,431 3.267,432 1.732,433 0.73,434 1.004,436 1.65,437 0.724,438 1.845,439 0.685,440 3.247,441 1.618,442 0.67,443 0.776,445 1.464,446 0.618,447 1.618,448 0.618,449 3.133,450 1.554,451 0.618,452 0.618,454 1.359,455 0.575,456 1.011,457 0.435,458 2.814,459 0.675,460 -0.319,461 -0.323,463 -0.625,464 -0.313,465 0.725,466 0.347,467 2.468,468 0.573,469 -0.381,470 -0.478,472 -0.993,473 -0.36,474 13.033,475 0.483,476 0.634,477 0.023,478 29.75,479 1.102,480 13.5,481 0.5,482 16.25,483 0.602,484 28.428,485 1.053,486 30.167,487 0.58,488 20.428,489 0.757,490 5.032,491 0.186,492 8.006,493 0.297,494 0.115,495 0.038,496 0.23,501 0.686,502 1.112,503 0.794,504 0.984,505 0.618,506 0.983,507 0.343,508 1.221,509 0.779,510 1.13,511 0.395,512 1.079,513 0.747,514 1.123,515 0.84,516 1.043,517 0.8,518 1.05,519 1.362,520 0.941,521 0.982,522 0.875,523 1.437,524 0.867,525 1.311,526 1.062,527 0.979,528 0.949,529 1.313,530 0.909,531 1.6,532 1.039,533 1.438,534 1.1,535 1.554,536 1.008,537 1.526,538 0.95,539 1.346,540 1.003,541 1.381,542 1.002,543 0.964,544 0.82,545 0.988,546 0.919,547 0.981,548 0.87,549 6,550 0.122,551 3.333,552 1.785,553 1.606,554 0.872,555 0.587,556 0.397,557 0.202,558 0.173,559 8397,560 22467,561 2.026,562 48.1,563 17,564 5,567 2,568 1,572 1.703,573 1.895,574 3.396,575 0.267,577 1,582 84.378,583 1.623,584 3.356,585 4.154,586 4.902,587 4.955,588 4.955,589 2.858,590 4.236,591 4.726,592 3.556,593 1248.12,594 8.215,595 16069.4,597 1,599 1,600 296.423,601 1.514,602 4.676,603 0.207,604 0.007,605 0.083,606 0.046,607 0.04,608 0.021,609 0.016,610 0.015,611 0.008,612 0.007,613 0.45,614 0.17,615 1,616 1.391,617 133.801,618 -0.009,619 0.086,620 0.05,621 0.084,622 -0.012,623 0.049,624 0.281,625 -0.118,626 0.129,627 -0.068,628 0.186,629 -0.043,630 0.031,631 -0.148,632 0.057,633 -0.067,634 -0.004,635 -0.042,636 -0.117,637 0.03,638 0.048,639 0.089,640 -0.136,641 0.083,642 -0.086,643 -0.058,644 0.054,645 0.027,646 -0.061,647 0.041,648 -0.049,649 -0.007,650 -0.197,651 -0.038,652 0.008,653 -0.081,654 -0.288,655 0.058,656 -0.222,657 -0.009,658 -0.184,659 -0.065,660 0.048,661 0.165,662 0.083,663 0.073,664 0.018,665 0.098,666 2.474,667 6.08,668 0.593,669 24.708,670 1.002,671 1.127,672 3.663,673 13.416,674 0.662,675 3.401,676 3.714,677 3.97,678 4.19,679 4.304,680 4.317,681 4.344,682 4.382,683 4.357,684 4.382,685 6.406,686 0.619,687 387.55,688 3.401,689 4.934,690 5.778,691 6.655,692 7.525,693 8.408,694 9.287,695 10.173,696 11.057,697 11.944,698 5.8,705 1,708 2,715 5,716 2,719 1,720 3,722 11,741 52,743 13,744 1,745 29,747 54,748 20,749 8,750 1,751 5,756 3,757 3,763 1,764 1,766 1,767 4,770 7,772 10,773 10,774 1,777 2,782 2,786 2,790 1,793 25,794 6,795 2,796 7,797 1,802 3,808 1,809 3,828 2,829 1,843 1,845 1,857 1,859 3,862 1,864 1,868 27,875 1,876 7,877 1,880 1,882 1,893 5.8,895 1,896 2,901 14.25,902 9.35,903 6.097,904 3.509,907 1.979,908 1.288,909 0.92,910 6.59,911 8.858,912 3.624,913 4.123,914 4.591,915 5.061,916 5.395,917 5.586,918 5.914,919 6.168,920 6.398,921 6.555,922 1,923 39,924 10.099,926 4.369,927 0.026,929 7.861,931 19.281,933 16.162,936 2.361,937 63.75,939 1,940 1,941 270.735,942 115.456,943 51.337,945 92.973,947 31.278,948 84.179,949 363.709,950 51.337,951 8.825,952 35.752,953 47.381,954 132.843,955 3.686,957 302.013,959 270.735,960 135.515,961 92.973,962 31.278,964 270.735,965 92.973,968 46.008,969 56.181,970 33.326,971 31.278,972 270.735,973 144.31,974 115.456,977 270.735,978 59.25,979 56.206,980 18.011,981 126.299,982 270.735,983 144.31,984 115.456,986 0.572,987 0.339,988 0.183,989 0.095,990 18,991 8,992 0.148,993 8,995 1,996 3.818,997 224.63,999 16,1000 120.382,1001 1,1005 19.943,1006 8.923,1007 4.731,1009 144.31,1010 9.705,1011 8.273,1014 1.337,1015 2.174,1017 60.694,1018 530.502,1019 36.5,1024 24.688,1028 -0.92,1031 52.083,1032 58.61,1034 0.285,1035 0.589,1036 0.729,1037 0.86,1038 0.869,1039 0.869,1040 4.866,1041 1.228,1042 5.784,1043 3.132,1044 4.394,1045 4.808,1046 2.748,1047 6.642,1048 4.332,1049 6.05,1050 1.017,1051 7.381,1052 2.689,1053 4.111,1054 4.559,1055 2.591,1056 7.976,1057 4.033,1058 7.357,1059 1,1060 9.103,1061 2.464,1062 6.071,1063 6.864,1064 4.005,1065 11.036,1066 5.967,1067 8.705,1068 0.73,1069 10.909,1070 2.136,1071 6.686,1072 7.452,1073 4.392,1074 13.27,1075 6.589,1076 10.091,1077 0.67,1078 12.772,1079 1.65,1080 8.131,1081 9.228,1082 5.469,1083 15.971,1084 8.022,1085 11.502,1086 0.618,1087 14.676,1088 1.464,1089 9.113,1090 10.179,1091 6.092,1092 18.484,1093 9.02,1094 12.931,1095 -0.319,1096 16.61,1097 1.359,1098 10.397,1099 11.742,1100 7.032,1101 21.12,1102 10.303,1103 3.503,1104 -0.381,1105 18.565,1106 -0.625,1107 11.528,1108 12.873,1109 7.767,1110 23.715,1111 11.451,1112 2.917,1113 13.9,1114 20.538,1115 -0.993,1116 12.767,1117 14.335,1118 8.649,1119 26.344,1120 12.697,1121 2.653,1122 9.229,1123 22.523,1124 3.962,1125 13.959,1126 15.562,1127 9.44,1128 28.963,1129 13.904,1130 2.373,1131 8.071,1132 24.519,1133 3.668,1134 15.192,1135 16.975,1136 10.299,1137 31.592,1138 15.145,1139 1.81,1140 7.006,1141 26.522,1142 3.247,1143 16.412,1144 18.257,1145 11.117,1146 34.22,1147 16.377,1148 1.575,1149 4.673,1150 28.531,1151 2.991,1152 17.648,1153 19.644,1154 11.967,1155 36.85,1156 17.622,1157 1.434,1158 3.814,1159 30.545,1160 2.398,1161 18.881,1162 20.958,1163 12.8,1164 39.481,1165 18.865,1166 8284,1167 13711,1168 19.068,1169 34.404,1170 43.601,1171 44.216,1172 45.337,1173 43.084,1174 43.055,1175 53.072,1176 8.794,1177 123.173,1178 41.651,1179 5.538,1180 6.026,1181 7.429,1182 5.636,1183 5.503,1184 6.962,1185 3.925,1186 21.296,1187 5.509,1188 13.322,1189 1.503,1190 1.525,1191 1.563,1192 1.486,1193 1.485,1194 1.83,1195 0.303,1196 4.247,1197 1.436,1198 4.003,1199 4.038,1200 4.241,1201 3.934,1202 7.474,1203 3.909,1204 3.919,1205 3.95,1206 3.859,1207 3.849,1208 7.428,1209 3.838,1210 3.711,1211 3.761,1212 3.734,1213 3.589,1214 6.351,1215 3.564,1216 3.646,1217 3.69,1218 3.578,1219 3.562,1220 5.034,1221 3.518,1222 3.392,1223 3.45,1224 3.223,1225 3.2,1226 4.692,1227 3.19,1228 3.251,1229 3.28,1230 3.195,1231 3.007,1232 4.285,1233 3.038,1234 2.954,1235 2.994,1236 2.805,1237 2.735,1238 4.112,1239 2.724,1240 2.869,1241 2.979,1242 2.687,1243 2.72,1244 3.828,1245 2.715,1246 0.158,1247 0.139,1248 0.263,1249 0.155,1250 0.121,1251 4.569,1252 0.137,1253 4.026,1254 0.081,1255 7.627,1256 0.479,1257 4.505,1258 0.121,1259 3.503,1260 3.962,1261 2.341,1262 13.9,1263 3.509,1264 1.899,1265 1.876,1266 2.028,1267 1.987,1268 1.424,1269 1.999,1270 1.842,1271 1.805,1272 2.009,1273 1.969,1274 1.211,1275 1.987,1276 1.623,1277 1.571,1278 1.86,1279 1.806,1280 1.181,1281 1.823,1282 1.577,1283 1.507,1284 1.86,1285 1.751,1286 1.09,1287 1.793,1288 1.332,1289 1.298,1290 1.577,1291 1.588,1292 0.807,1293 1.576,1294 1.252,1295 1.228,1296 1.305,1297 1.48,1298 0.499,1299 1.463,1300 1.132,1301 1.07,1302 1.204,1303 1.304,1304 0.41,1305 1.304,1306 0.886,1307 0.821,1308 1.2,1309 1.172,1310 0.234,1311 1.149,1312 4.078,1314 5.389,1315 3.045,1316 6.891,1317 5.283,1318 8.48,1319 7.286,1320 10.119,1322 1.976,1327 9.528,1328 5.168,1329 2.914,1332 -0.479,1334 -0.614,1340 32.191,1341 84.378,1342 174.493,1343 216,1344 254.913,1345 257.668,1346 257.668,1347 71.288,1348 6.878,1349 92.18,1350 120.42,1351 16,1352 12.476,1353 3.807,1354 3.087,1355 46.892,1356 102,1357 106,1358 0.223,1359 203.448,1360 355.08,1361 488.173,1362 7803,1364 19.278,1365 0.714,1366 0.604,1367 19.631,1368 16.297,1369 13.038,1370 0.45,1371 0.355,1372 9.455,1373 12.218,1374 9.167,1375 7.636,1376 13.446,1377 10.287,1378 11.54,1379 0.289,1380 0.206,1381 12.209,1382 8.225,1383 9.501,1384 0.183,1385 0.12,1386 10.273,1387 6.22,1388 7.653,1389 0.118,1390 0.072,1391 8.49,1392 4.654,1393 5.669,1394 0.078,1395 0.04,1396 6.33,1397 2.915,1398 0.348,1399 85.357,1400 0.229,1401 25.894,1402 0.615,1403 138,1404 402.104,1405 177.485,1406 408.624,1407 544.81,1408 378,1409 161,1410 376.761,1411 195.024,1412 395.205,1413 575.7,1414 371,1415 5.523}
{0 CHEMBL379935,1 1.597,2 11.679,3 4.455,4 19.851,5 110.891,6 7.301,7 0.367,8 4.078,9 4.197,10 3.655,11 3.65,12 5.143,13 3.586,14 4.643,15 4.817,16 4.056,17 4.069,18 5.689,19 3.968,20 4.966,21 5.195,22 4,23 4.191,24 5.882,25 4.051,26 5.066,27 5.311,28 4.095,29 4.176,30 6.093,31 4.056,32 5.009,33 5.236,34 4.189,35 4.179,36 6.107,37 4.071,38 5.039,39 5.255,40 4.14,41 4.153,42 6.295,43 4.029,44 4.909,45 5.152,46 3.771,47 3.984,48 5.952,49 3.835,50 4.681,51 4.945,52 3.677,53 3.782,54 5.695,55 3.63,56 0.056,57 0.795,58 12.537,59 5.713,60 10.311,61 7.271,62 0.262,63 1.32,64 24.876,65 9.582,66 48.896,67 13.148,68 0.247,69 1.621,70 36.18,71 13.312,72 48.554,73 17.676,74 0.566,75 1.681,76 41.078,77 12.981,78 99.541,79 17.367,80 0.436,81 1.662,82 39.905,83 12.74,84 76.586,85 16.387,86 0.869,87 1.694,88 46.384,89 13.05,90 149.261,91 15.955,92 0.572,93 1.486,94 39.119,95 10.759,96 86.676,97 13.952,98 0.44,99 1.177,100 30.501,101 8.932,102 56.944,103 12.201,104 24,105 41,106 0.266,107 0.559,108 0.712,109 0.83,110 0.838,111 0.838,112 3.374,113 1.074,114 -4.85,115 -4.76,116 -4.47,121 38.2,122 1,123 8,124 1,125 1,144 5,145 1,160 2,163 1,164 1,168 1,170 1,174 1,176 17,177 1,180 5,183 3,185 3,187 20,188 2,192 7,195 1,197 5,200 13,201 2,205 1,206 10,211 6,214 10,215 3,218 1,219 12,220 1,224 5,225 1,227 10,228 2,231 1,232 13,235 2,236 1,237 5,239 9,244 7,245 1,249 3,251 7,252 1,255 1,256 5,257 1,259 1,261 2,264 9,268 1,269 4,272 1,277 13,278 1,281 1302,282 18.861,283 18.861,284 18.861,285 18.861,286 18.861,287 17.217,288 22.108,289 11.353,290 19.179,291 14.765,292 14.765,293 14.765,294 14.765,295 14.765,296 12.307,297 34.062,298 5.281,299 15.299,300 4.184,301 2.424,302 1.499,303 0.791,304 0.741,305 0.741,306 4.051,311 1,312 1,313 685,314 4.301,317 181.961,318 108.68,325 1.773,326 34.173,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 60.5,338 327,339 4.568,340 4.026,341 7.627,342 4.505,343 3.503,344 3.799,345 2.341,346 13.9,347 3.509,348 4.144,349 3.711,350 5.905,351 3.696,352 2.788,353 3.631,354 1.907,355 8.181,356 2.647,357 3.863,358 3.023,359 5.73,360 3.649,361 2.65,362 3.405,363 0.68,364 8.034,365 2.585,366 3.826,367 2.764,368 5.363,369 3.402,370 2.456,371 2.994,372 0.149,373 7.022,374 2.247,375 3.263,376 2.531,377 4.952,378 2.913,379 1.966,380 2.438,382 5.595,383 1.856,384 2.947,385 2.035,386 4.588,387 2.584,388 1.596,389 2.044,391 4.077,392 1.56,393 2.8,394 2.015,395 3.962,396 2.442,397 1.436,398 1.866,400 3.133,401 1.428,402 2.654,403 1.476,404 3.618,405 2.364,406 1.383,407 1.607,409 3.008,410 1.348,411 2.5,412 1.369,413 3.597,414 2.17,415 1.17,416 1.5,418 2.596,419 1.159,420 2.287,421 1.016,422 3.572,423 2,424 1,425 1.26,427 2.136,428 1,429 2.204,430 1,431 3.287,432 1.745,433 0.755,434 1.062,436 1.738,437 0.738,438 1.845,439 0.82,440 3.247,441 1.628,442 0.701,443 0.776,445 1.464,446 0.635,447 1.618,448 0.618,449 3.143,450 1.618,451 0.618,452 0.618,454 1.36,455 0.618,456 1.22,457 0.44,458 2.868,459 0.87,460 -0.067,461 -0.083,463 -0.179,464 -0.062,465 0.962,466 0.39,467 2.65,468 0.674,469 -0.324,470 -0.326,472 -0.628,473 -0.323,474 13.533,475 0.483,476 0.651,477 0.023,478 30.25,479 1.08,480 13.5,481 0.482,482 16.75,483 0.598,484 30.289,485 1.082,486 31.467,487 0.572,488 20.635,489 0.737,490 5.127,491 0.183,492 8.394,493 0.3,494 0.111,495 0.037,496 0.222,501 0.685,502 1.128,503 0.809,504 1.004,505 0.616,506 1.004,507 0.345,508 1.233,509 0.796,510 1.144,511 0.397,512 1.097,513 0.779,514 1.148,515 0.981,516 1.135,517 0.819,518 1.106,519 1.318,520 0.916,521 0.867,522 0.817,523 1.417,524 0.874,525 1.298,526 1.041,527 0.987,528 0.943,529 1.299,530 0.887,531 1.581,532 1.081,533 1.477,534 1.139,535 1.536,536 0.993,537 1.681,538 1.007,539 1.468,540 1.05,541 1.522,542 1.031,543 0.88,544 0.928,545 1.019,546 0.997,547 0.803,548 0.952,549 6.5,550 0.101,551 2.889,552 2.007,553 1.556,554 0.865,555 0.636,556 0.306,557 0.268,558 0.194,559 9590,560 24868,561 2.025,562 49.1,563 17,564 5,567 2,568 3,572 1.711,573 1.898,574 3.481,575 0.247,577 1,582 87.844,583 1.597,584 3.358,585 4.283,586 4.99,587 5.04,588 5.04,589 2.937,590 4.164,591 4.777,592 3.659,593 1383.02,594 8.311,595 18559,597 1,599 1,600 317.975,601 1.486,602 4.731,603 0.217,604 0.005,605 0.07,606 0.051,607 0.039,608 0.02,609 0.016,610 0.011,611 0.011,612 0.008,613 0.448,614 0.17,615 1,616 1.36,617 141.425,618 -0.004,619 0.082,620 0.051,621 0.08,622 -0.007,623 0.047,624 0.279,625 -0.124,626 0.121,627 -0.075,628 0.182,629 -0.051,630 0.007,631 -0.153,632 -0.039,633 -0.13,634 -0.023,635 -0.095,636 -0.095,637 0.035,638 0.078,639 0.097,640 -0.129,641 0.071,642 -0.07,643 -0.029,644 0.091,645 0.064,646 -0.047,647 0.072,648 -0.023,649 -0.03,650 -0.157,651 -0.027,652 0.026,653 -0.053,654 -0.341,655 0.034,656 -0.288,657 -0.037,658 -0.235,659 -0.106,660 0.068,661 0.079,662 0.045,663 -0.015,664 0.057,665 0.009,666 2.47,667 6.101,668 0.571,669 28.071,670 0.999,671 1.128,672 3.618,673 13.088,674 0.658,675 3.434,676 3.738,677 3.97,678 4.19,679 4.29,680 4.29,681 4.331,682 4.369,683 4.331,684 4.369,685 6.832,686 0.613,687 401.58,688 3.434,689 4.963,690 5.796,691 6.668,692 7.527,693 8.405,694 9.274,695 10.155,696 11.03,697 11.914,698 5.5,705 1,708 2,715 5,716 2,719 1,720 3,722 11,741 55,743 13,744 1,745 30,747 57,748 21,749 8,750 1,751 5,756 3,757 3,763 1,764 1,766 1,767 4,770 8,772 10,773 11,774 1,777 2,782 2,786 2,790 1,793 27,794 6,795 2,796 7,797 1,802 3,808 1,809 3,828 2,829 1,843 1,845 1,857 1,859 3,862 1,864 1,868 28,875 1,876 8,877 1,880 1,882 1,893 5.5,895 1,896 2,901 14.75,902 9.85,903 6.319,904 3.697,907 1.945,908 1.28,909 0.919,910 7.172,911 8.884,912 3.651,913 4.139,914 4.56,915 5.002,916 5.276,917 5.355,918 5.673,919 5.955,920 6.191,921 6.436,922 0.875,923 39,924 10.48,926 4.511,927 0.026,929 7.83,931 20.098,933 16.827,936 2.33,937 65.25,939 1,940 1,941 294.278,942 117.991,943 51.337,945 92.973,947 31.278,948 86.713,949 387.251,950 51.337,951 8.825,952 38.287,953 47.381,954 132.843,955 3.686,957 325.555,959 294.278,960 138.05,961 92.973,962 31.278,964 294.278,965 92.973,968 48.543,969 56.181,970 33.326,971 31.278,972 294.278,973 144.31,974 117.991,977 294.278,978 61.784,979 56.206,980 18.011,981 126.299,982 294.278,983 144.31,984 117.991,986 0.571,987 0.332,988 0.179,989 0.093,990 18,991 8,992 0.158,993 9,995 1,996 3.946,997 232.674,999 16,1000 126.606,1001 1,1005 20.917,1006 9.601,1007 5.389,1009 144.31,1010 10.009,1011 8.318,1014 1.378,1015 2.48,1017 60.694,1018 556.578,1019 37.5,1024 24.727,1028 -0.906,1031 54.967,1032 62.026,1034 0.276,1035 0.581,1036 0.741,1037 0.863,1038 0.872,1039 0.872,1040 4.888,1041 1.383,1042 5.796,1043 3.133,1044 4.419,1045 4.824,1046 2.805,1047 6.635,1048 4.358,1049 6.066,1050 1.17,1051 7.378,1052 3.008,1053 4.111,1054 4.559,1055 2.591,1056 7.938,1057 4.033,1058 7.367,1059 1,1060 9.085,1061 2.596,1062 6.075,1063 6.853,1064 4.013,1065 10.993,1066 5.976,1067 8.705,1068 0.755,1069 10.877,1070 2.136,1071 6.661,1072 7.398,1073 4.392,1074 13.228,1075 6.571,1076 10.08,1077 0.701,1078 12.73,1079 1.738,1080 8.11,1081 9.171,1082 5.47,1083 15.932,1084 8.012,1085 11.48,1086 0.618,1087 14.627,1088 1.464,1089 9.075,1090 10.068,1091 6.092,1092 18.456,1093 8.998,1094 12.899,1095 -0.067,1096 16.558,1097 1.36,1098 10.361,1099 11.625,1100 7.032,1101 21.097,1102 10.286,1103 3.503,1104 -0.324,1105 18.514,1106 -0.179,1107 11.486,1108 12.697,1109 7.767,1110 23.7,1111 11.431,1112 2.788,1113 13.9,1114 20.489,1115 -0.628,1116 12.728,1117 14.147,1118 8.649,1119 26.332,1120 12.68,1121 2.65,1122 8.181,1123 22.478,1124 3.799,1125 13.92,1126 15.314,1127 9.44,1128 28.955,1129 13.888,1130 2.456,1131 8.034,1132 24.478,1133 3.631,1134 15.155,1135 16.707,1136 10.299,1137 31.587,1138 15.131,1139 1.966,1140 7.022,1141 26.486,1142 3.405,1143 16.378,1144 17.93,1145 11.117,1146 34.216,1147 16.365,1148 1.596,1149 5.595,1150 28.5,1151 2.994,1152 17.616,1153 19.291,1154 11.967,1155 36.848,1156 17.612,1157 1.436,1158 4.077,1159 30.518,1160 2.438,1161 18.853,1162 20.548,1163 12.8,1164 39.479,1165 18.856,1166 9436,1167 15350,1168 19.761,1169 36.165,1170 44.539,1171 45.289,1172 46.385,1173 44.127,1174 44.046,1175 54,1176 10.154,1177 124.487,1178 42.659,1179 5.537,1180 6.026,1181 7.429,1182 5.633,1183 5.503,1184 6.799,1185 3.925,1186 21.295,1187 5.509,1188 13.729,1189 1.485,1190 1.51,1191 1.546,1192 1.471,1193 1.468,1194 1.8,1195 0.338,1196 4.15,1197 1.422,1198 3.999,1199 4.036,1200 4.229,1201 3.92,1202 7.474,1203 3.9,1204 3.918,1205 3.951,1206 3.858,1207 3.848,1208 7.428,1209 3.838,1210 3.734,1211 3.774,1212 3.801,1213 3.675,1214 6.351,1215 3.611,1216 3.697,1217 3.747,1218 3.579,1219 3.568,1220 5.013,1221 3.556,1222 3.393,1223 3.452,1224 3.227,1225 3.201,1226 4.735,1227 3.192,1228 3.289,1229 3.329,1230 3.205,1231 3.055,1232 4.285,1233 3.08,1234 3.054,1235 3.108,1236 2.943,1237 2.901,1238 4.112,1239 2.891,1240 2.916,1241 2.979,1242 2.777,1243 2.735,1244 3.864,1245 2.715,1246 0.152,1247 0.134,1248 0.254,1249 0.15,1250 0.117,1251 4.568,1252 0.127,1253 4.026,1254 0.078,1255 7.627,1256 0.463,1257 4.505,1258 0.117,1259 3.503,1260 3.799,1261 2.341,1262 13.9,1263 3.509,1264 1.915,1265 1.888,1266 2.039,1267 1.992,1268 1.424,1269 2.012,1270 1.842,1271 1.805,1272 2.028,1273 1.987,1274 1.211,1275 1.999,1276 1.623,1277 1.572,1278 1.86,1279 1.806,1280 1.182,1281 1.823,1282 1.577,1283 1.507,1284 1.86,1285 1.751,1286 1.174,1287 1.793,1288 1.409,1289 1.391,1290 1.577,1291 1.588,1292 0.808,1293 1.578,1294 1.313,1295 1.26,1296 1.532,1297 1.531,1298 0.765,1299 1.546,1300 1.211,1301 1.149,1302 1.305,1303 1.465,1304 0.418,1305 1.462,1306 0.886,1307 0.821,1308 1.203,1309 1.172,1310 0.364,1311 1.149,1312 4.111,1314 5.416,1315 3.045,1316 6.905,1317 5.283,1318 8.48,1319 7.273,1320 10.104,1322 1.979,1327 9.542,1328 5.875,1329 2.93,1332 -0.475,1334 -0.608,1340 33.717,1341 87.844,1342 184.665,1343 235.552,1344 274.465,1345 277.22,1346 277.22,1347 75.678,1348 6.939,1349 92.18,1350 120.42,1351 16,1352 12.449,1353 3.807,1354 3.087,1355 49.685,1356 113,1357 120,1358 0.212,1359 213.04,1360 372.38,1361 511.578,1362 8758,1364 19.985,1365 0.714,1366 0.607,1367 20.338,1368 17.004,1369 13.521,1370 0.451,1371 0.358,1372 9.912,1373 12.685,1374 9.604,1375 7.994,1376 13.929,1377 10.745,1378 11.988,1379 0.292,1380 0.212,1381 12.683,1382 8.695,1383 9.644,1384 0.185,1385 0.123,1386 10.348,1387 6.39,1388 7.792,1389 0.12,1390 0.075,1391 8.603,1392 4.853,1393 5.727,1394 0.08,1395 0.042,1396 6.342,1397 3.043,1398 0.334,1399 88.256,1400 0.225,1401 26.902,1402 0.577,1403 142,1404 406.104,1405 181.485,1406 412.654,1407 548.53,1408 382,1409 164,1410 376.761,1411 196.187,1412 395.231,1413 572.46,1414 371,1415 5.523}
{0 CHEMBL379950,1 1.449,2 10.04,3 4.496,4 20.213,5 96.333,6 6.715,7 0.407,8 4.003,9 4.123,10 3.473,11 3.531,12 5.039,13 3.488,14 4.582,15 4.76,16 3.83,17 3.958,18 5.593,19 3.874,20 4.905,21 5.141,22 3.829,23 4.085,24 5.737,25 3.962,26 5.012,27 5.264,28 3.895,29 4.065,30 5.922,31 3.97,32 4.952,33 5.182,34 3.951,35 4.033,36 5.974,37 3.969,38 4.94,39 5.158,40 3.851,41 3.971,42 6.108,43 3.891,44 4.841,45 5.107,46 3.551,47 3.879,48 5.797,49 3.735,50 4.661,51 4.948,52 3.291,53 3.779,54 5.382,55 3.594,56 0.058,57 0.704,58 11.758,59 5.277,60 9.7,61 6.972,62 0.27,63 1.156,64 21.768,65 9.025,66 44.388,67 12.517,68 0.225,69 1.447,70 31.001,71 11.495,72 35.938,73 16.425,74 0.471,75 1.523,76 35.924,77 10.99,78 66.947,79 16.094,80 0.43,81 1.478,82 33.757,83 9.862,84 57.398,85 14.475,86 0.836,87 1.391,88 34.1,89 9.624,90 104.3,91 13.824,92 0.514,93 1.258,94 30.316,95 9.631,96 68.419,97 14.123,98 0.229,99 1.096,100 24.472,101 8.966,102 29.733,103 13.259,104 17,105 37,106 0.246,107 0.519,108 0.681,109 0.818,110 0.827,111 0.827,112 3.267,113 1.025,114 -5.61,115 -5.49,116 -5.12,121 39.2,122 1,123 8,124 1,125 1,144 5,145 1,160 1,163 2,168 1,170 1,174 1,176 17,177 1,179 2,180 5,183 1,185 1,187 19,188 2,192 12,197 2,200 12,201 2,206 16,211 2,214 8,215 3,219 14,220 2,224 3,227 9,228 2,231 2,232 9,233 1,235 2,237 2,239 12,243 1,244 4,247 1,251 14,252 1,256 2,261 1,264 15,265 1,269 1,274 1,277 13,278 2,281 966,282 16.999,283 16.999,284 16.999,285 16.999,286 16.999,287 15.51,288 17.694,289 10.274,290 17.077,291 13.299,292 13.299,293 13.299,294 13.299,295 13.299,296 11.119,297 23.153,298 4.764,299 13.411,300 4.224,301 2.614,302 1.655,303 0.853,304 0.799,305 0.799,306 3.945,311 1,312 1,313 527,314 3.808,317 152.109,318 92.638,325 1.565,326 26.76,328 1,329 0.75,330 1,331 1,332 1,333 1,334 1,335 1,336 0.96,337 54,338 251,339 4.613,340 3.786,341 7.657,342 4.517,343 3.522,344 3.973,345 2.341,346 14.082,347 3.503,348 4.011,349 3.633,350 5.913,351 3.7,352 2.709,353 3.474,354 0.68,355 8.148,356 2.68,357 3.848,358 2.958,359 5.638,360 3.622,361 2.624,362 3.165,364 7.788,365 2.61,366 3.697,367 2.391,368 5.239,369 3.287,370 2.302,371 2.944,373 6.502,374 2.263,375 2.968,376 2.048,377 4.741,378 2.633,379 1.65,380 2.128,382 4.563,383 1.621,384 2.761,385 1.761,386 3.962,387 2.448,388 1.443,389 1.846,391 3.141,392 1.436,393 2.654,394 1.474,395 3.619,396 2.394,397 1.396,398 1.607,400 3.009,401 1.39,402 2.5,403 1.221,404 3.618,405 2.166,406 1.183,407 1.5,409 2.645,410 1.161,411 2.314,412 1,413 3.569,414 2,415 1,416 1.297,418 2.136,419 1,420 2.154,421 0.994,422 3.301,423 1.771,424 0.773,425 1.018,427 1.702,428 0.766,429 1.841,430 0.698,431 3.247,432 1.647,433 0.655,434 0.77,436 1.464,437 0.648,438 1.618,439 0.618,440 3.151,441 1.618,442 0.618,443 0.618,445 1.352,446 0.618,447 1.173,448 0.421,449 2.836,450 0.878,451 -0.111,452 -0.138,454 -0.294,455 -0.11,456 0.683,457 0.138,458 2.552,459 0.673,460 -0.327,461 -0.328,463 -0.633,464 -0.327,465 0.5,466 -0.308,467 2.462,468 0.126,469 -0.878,470 -0.923,472 -2,473 -0.87,474 11.8,475 0.472,476 0.545,477 0.022,478 26.5,479 1.06,480 11.5,481 0.46,482 15,483 0.6,484 25.954,485 1.038,486 28.4,487 0.557,488 17.314,489 0.693,490 4.553,491 0.182,492 7.574,493 0.303,494 0.099,495 0.042,496 0.212,501 0.731,502 1.187,503 0.884,504 1.175,505 0.677,506 1.075,507 0.422,508 1.203,509 0.875,510 1.195,511 0.364,512 1.122,513 0.826,514 1.181,515 0.971,516 1.155,517 0.764,518 1.098,519 1.403,520 0.98,521 0.999,522 0.871,523 1.205,524 0.87,525 1.557,526 1.071,527 1.065,528 0.942,529 1.236,530 0.917,531 1.724,532 0.988,533 1.269,534 0.941,535 1.899,536 1.019,537 1.197,538 0.855,539 1.084,540 0.873,541 1.189,542 0.948,543 0.584,544 0.877,545 0.95,546 0.951,547 0.438,548 0.992,549 5.5,550 0.075,551 2.667,552 1.438,553 1.371,554 0.667,555 0.632,556 0.326,557 0.135,558 0.126,559 6703,560 15950,561 2.052,562 51,563 17,564 5,567 1,568 3,572 1.683,573 1.935,574 3.286,575 -0.356,577 1,582 73.889,583 1.449,584 3.059,585 4.017,586 4.819,587 4.873,588 4.873,589 2.759,590 3.924,591 4.612,592 3.442,593 1032.49,594 7.996,595 12457.2,597 1,599 1,600 289.294,601 1.429,602 4.574,603 0.204,604 0.005,605 0.072,606 0.041,607 0.037,608 0.017,609 0.019,610 0.013,611 0.007,612 0.007,613 0.423,614 0.17,615 0.88,616 1.402,617 120.078,618 0.022,619 0.054,620 0.043,621 0.016,622 0.005,623 0.026,624 0.284,625 -0.079,626 0.053,627 -0.079,628 0.24,629 -0.056,630 -0.015,631 -0.175,632 -0.019,633 -0.13,634 -0.033,635 -0.084,636 -0.145,637 -0.006,638 0.026,639 0.06,640 -0.134,641 0.068,642 -0.174,643 -0.037,644 -0.02,645 -0.016,646 -0.077,647 0.007,648 -0.021,649 0.017,650 -0.187,651 -0.03,652 -0.077,653 -0.119,654 -0.069,655 0.101,656 -0.078,657 0.058,658 -0.036,659 -0.003,660 -0.023,661 0.085,662 -0.024,663 0.033,664 -0.007,665 0.013,666 2.378,667 4.63,668 0.64,669 22.294,670 0.996,671 1.13,672 4.384,673 19.224,674 0.637,675 3.332,676 3.638,677 3.892,678 4.143,679 4.277,680 4.331,681 4.382,682 4.419,683 4.357,684 4.277,685 5.951,686 0.598,687 342.48,688 3.332,689 4.86,690 5.7,691 6.581,692 7.451,693 8.341,694 9.224,695 10.119,696 11.009,697 11.908,698 3.9,708 2,715 5,716 2,718 1,720 3,722 11,741 51,743 12,744 1,745 27,747 53,748 20,749 8,750 1,751 5,756 3,757 3,763 1,764 1,766 1,767 4,770 8,772 9,773 11,774 1,777 1,782 1,786 1,790 1,793 26,794 5,795 1,796 5,802 2,808 1,809 3,828 2,829 1,845 1,857 1,859 3,864 1,868 25,875 1,876 8,880 1,882 1,893 5.9,895 1,896 1,898 1,901 12.917,902 9.183,903 5.653,904 3.53,907 1.941,908 1.286,909 0.911,910 5.775,911 8.716,912 3.541,913 4.039,914 4.496,915 4.981,916 5.306,917 5.458,918 5.754,919 6.078,920 6.309,921 6.492,922 0.857,923 35,924 9.328,926 3.98,927 0.026,929 7.73,931 18.109,933 15.238,936 2.23,937 55.75,939 1,940 1,941 294.278,942 90.618,943 33.326,945 77.336,948 90.618,949 371.613,950 33.326,951 8.825,952 20.276,953 47.381,954 112.104,955 12.693,957 294.278,959 294.278,960 123.944,961 77.336,964 294.278,965 77.336,968 39.141,969 51.477,970 33.326,972 294.278,973 110.662,974 90.618,977 294.278,978 34.412,979 56.206,981 110.662,982 294.278,983 110.662,984 90.618,986 0.568,987 0.331,988 0.183,989 0.098,990 17,991 7,992 0.151,993 8,995 1,996 3.667,997 203.108,999 16,1000 108.096,1005 17.975,1006 8.032,1007 4.231,1009 110.662,1010 10.046,1011 8.565,1013 6.018,1015 2.376,1017 42.683,1018 495.557,1019 33.5,1024 11.63,1028 -0.711,1031 50.789,1032 57.607,1034 0.255,1035 0.539,1036 0.708,1037 0.85,1038 0.859,1039 0.859,1040 4.777,1041 1.183,1042 5.7,1043 3.009,1044 4.317,1045 4.723,1046 2.35,1047 6.558,1048 4.3,1049 5.954,1050 1,1051 7.291,1052 2.645,1053 4.007,1054 4.425,1055 2.243,1056 7.912,1057 3.981,1058 7.256,1059 0.773,1060 9.01,1061 2.136,1062 5.989,1063 6.77,1064 3.64,1065 10.987,1066 5.958,1067 8.6,1068 0.655,1069 10.817,1070 1.702,1071 6.594,1072 7.312,1073 4.112,1074 13.262,1075 6.557,1076 9.983,1077 0.618,1078 12.687,1079 1.464,1080 8.054,1081 9.12,1082 5.203,1083 15.987,1084 8.013,1085 11.392,1086 -0.111,1087 14.601,1088 1.352,1089 9.041,1090 10.036,1091 5.889,1092 18.534,1093 8.995,1094 12.822,1095 -0.327,1096 16.546,1097 -0.294,1098 10.338,1099 11.621,1100 6.849,1101 21.193,1102 10.287,1103 3.522,1104 -0.878,1105 18.516,1106 -0.633,1107 11.481,1108 12.729,1109 7.625,1110 23.812,1111 11.426,1112 2.709,1113 14.082,1114 20.502,1115 -2,1116 12.735,1117 14.207,1118 8.526,1119 26.459,1120 12.675,1121 2.624,1122 8.148,1123 22.501,1124 3.973,1125 13.942,1126 15.423,1127 9.342,1128 29.097,1129 13.877,1130 2.302,1131 7.788,1132 24.509,1133 3.474,1134 15.188,1135 16.847,1136 10.216,1137 31.742,1138 15.119,1139 1.65,1140 6.502,1141 26.524,1142 3.165,1143 16.423,1144 18.126,1145 11.051,1146 34.385,1147 16.348,1148 1.443,1149 4.563,1150 28.545,1151 2.944,1152 17.672,1153 19.523,1154 11.912,1155 37.03,1156 17.592,1157 1.396,1158 3.141,1159 30.569,1160 2.128,1161 18.918,1162 20.84,1163 12.755,1164 39.674,1165 18.833,1166 6628,1167 10336,1168 17.97,1169 32.512,1170 40.184,1171 40.247,1172 41.724,1173 39.783,1174 39.753,1175 48.677,1176 6.042,1177 113.061,1178 39.39,1179 5.579,1180 5.786,1181 7.459,1182 5.538,1183 5.522,1184 6.973,1185 3.925,1186 21.669,1187 5.503,1188 11.116,1189 1.488,1190 1.491,1191 1.545,1192 1.473,1193 1.472,1194 1.803,1195 0.224,1196 4.187,1197 1.459,1198 4.033,1199 4.067,1200 3.972,1201 3.911,1202 7.474,1203 3.914,1204 3.894,1205 3.929,1206 3.81,1207 3.83,1208 6.351,1209 3.82,1210 3.724,1211 3.769,1212 3.636,1213 3.572,1214 5.242,1215 3.567,1216 3.638,1217 3.686,1218 3.528,1219 3.404,1220 4.739,1221 3.443,1222 3.388,1223 3.445,1224 3.218,1225 3.19,1226 4.268,1227 3.182,1228 3.105,1229 3.16,1230 2.964,1231 2.942,1232 4.111,1233 2.944,1234 2.965,1235 3.01,1236 2.815,1237 2.735,1238 3.938,1239 2.722,1240 2.869,1241 2.979,1242 2.687,1243 2.695,1244 3.75,1245 2.715,1246 0.171,1247 0.14,1248 0.284,1249 0.167,1250 0.13,1251 4.613,1252 0.147,1253 3.786,1254 0.087,1255 7.657,1256 0.522,1257 4.517,1258 0.13,1259 3.522,1260 3.973,1261 2.341,1262 14.082,1263 3.503,1264 1.915,1265 1.887,1266 2.043,1267 2.002,1268 1.426,1269 2.016,1270 1.836,1271 1.798,1272 2.025,1273 1.975,1274 1.211,1275 1.991,1276 1.611,1277 1.558,1278 1.86,1279 1.785,1280 1.185,1281 1.808,1282 1.577,1283 1.507,1284 1.854,1285 1.751,1286 1.163,1287 1.793,1288 1.368,1289 1.327,1290 1.576,1291 1.594,1292 0.807,1293 1.577,1294 1.297,1295 1.246,1296 1.554,1297 1.555,1298 0.718,1299 1.547,1300 0.886,1301 0.821,1302 1.208,1303 1.233,1304 0.412,1305 1.175,1306 0.878,1307 0.819,1308 1.181,1309 1.172,1310 0.218,1311 1.148,1312 4.007,1314 5.313,1315 3.045,1316 6.81,1317 5.283,1318 8.399,1319 7.298,1320 10.041,1322 2.03,1327 9.559,1328 6.841,1332 -0.34,1334 -0.264,1340 30.509,1341 73.889,1342 155.984,1343 204.871,1344 245.784,1345 248.539,1346 248.539,1347 56.202,1348 6.775,1349 76.22,1350 76.22,1351 16,1352 12.433,1353 3.7,1354 2.907,1355 41.617,1356 86,1357 94,1358 0.234,1359 188.45,1360 328.21,1361 451.578,1362 6653,1364 17.7,1365 0.708,1366 0.591,1367 17.7,1368 14.779,1369 12.127,1370 0.449,1371 0.342,1372 9.139,1373 11.745,1374 8.924,1375 7.431,1376 12.127,1377 9.224,1378 10.682,1379 0.289,1380 0.194,1381 10.682,1382 7.179,1383 8.669,1384 0.181,1385 0.11,1386 8.669,1387 5.303,1388 7.162,1389 0.116,1390 0.065,1391 7.162,1392 4,1393 5.385,1394 0.076,1395 0.035,1396 5.385,1397 2.499,1398 0.362,1399 75.641,1400 0.236,1401 24.164,1402 0.659,1403 128,1404 352.911,1405 140.298,1406 337.611,1407 455.37,1408 314,1409 149,1410 335.401,1411 161.164,1412 334.934,1413 486.08,1414 315,1415 5.523}
{0 CHEMBL380050,1 1.519,2 11.793,3 3.711,4 13.768,5 112.46,6 6.923,7 0.375,8 4.148,9 4.279,10 3.658,11 3.643,12 5.139,13 3.616,14 4.756,15 4.958,16 3.99,17 4.045,18 5.72,19 3.997,20 5.046,21 5.285,22 4.029,23 4.247,24 5.949,25 4.142,26 5.13,27 5.399,28 3.938,29 4.296,30 5.878,31 4.139,32 5.177,33 5.466,34 3.995,35 4.317,36 5.877,37 4.17,38 5.148,39 5.405,40 4.01,41 4.331,42 5.997,43 4.182,44 5.167,45 5.455,46 3.917,47 4.216,48 5.997,49 4.053,50 5.036,51 5.341,52 3.722,53 3.873,54 6.06,55 3.763,56 0.002,57 0.975,58 13.197,59 5.597,60 5.884,61 7.6,62 0.273,63 1.585,64 26.462,65 8.628,66 28.106,67 12.375,68 0.522,69 1.978,70 36.45,71 12.613,72 52.776,73 17.619,74 0.299,75 1.963,76 39.244,77 14.646,78 44.095,79 21.187,80 0.389,81 1.935,82 41.558,83 14.295,84 42.226,85 21.654,86 0.535,87 2.07,88 40.068,89 14.731,90 48.336,91 21.198,92 0.242,93 2.057,94 41.556,95 15.036,96 46.407,97 21.566,98 0.671,99 1.904,100 39.83,101 11.41,102 91.498,103 15.279,104 5,105 43,106 0.25,107 0.463,108 0.569,109 0.65,110 0.699,111 0.733,112 3.408,113 0.981,114 -4.56,115 -4.48,116 -4.22,121 39.7,127 10,129 1,144 8,145 2,146 2,176 8,180 2,187 9,191 3,192 4,200 8,206 4,214 8,219 2,227 8,231 2,232 4,239 4,244 4,256 2,268 1,269 4,281 1531,282 19.93,283 19.93,284 19.93,285 19.93,286 19.93,287 18.427,288 26.948,289 12.004,290 20.554,291 15.814,292 15.814,293 15.814,294 15.814,295 15.814,296 13.682,297 34.016,298 5.76,299 16.83,300 4.339,301 3.052,302 2.405,303 1.914,304 1.621,305 1.414,306 4.109,311 1,312 1,313 744,314 2.915,318 428.567,325 1.843,326 28.471,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 63.5,338 342,339 4.341,340 3.557,341 6.783,342 4.117,343 3.147,344 3.829,345 1.277,346 11.165,347 3.055,348 3.929,349 2.95,350 5.469,351 3.536,352 2.611,353 3.535,354 0.86,355 7.282,356 2.412,357 3.73,358 2.905,359 5.348,360 3.467,361 2.501,362 3.024,363 0.8,364 6.861,365 2.412,366 3.583,367 2.872,368 5.323,369 3.388,370 2.464,371 2.618,372 0.8,373 6.791,374 2.268,375 3.431,376 2.769,377 5.147,378 3.231,379 2.304,380 2.509,381 0.494,382 6.314,383 2.122,384 3.239,385 2.283,386 4.927,387 2.834,388 1.908,389 2.459,391 5.619,392 1.759,393 3.029,394 2.172,395 4.845,396 2.815,397 1.857,398 2.069,400 5.382,401 1.756,402 2.5,403 2.137,404 3.677,405 2.357,406 1.492,407 1.5,409 3.151,410 1.284,411 2.5,412 1.256,413 3.602,414 2,415 1,416 1.5,418 2.275,419 1,420 2.495,421 1.146,422 3.414,423 2,424 1,425 1.495,427 2.275,428 1,429 2,430 1.059,431 3.414,432 1.967,433 1,434 1,436 2.275,437 0.965,438 2,439 1,440 3.414,441 1.952,442 1,443 1,445 2.136,446 0.946,447 1.89,448 1,449 3.247,450 1.721,451 0.773,452 0.833,454 1.933,455 0.728,456 1.589,457 0.835,458 3.094,459 1.448,460 0.504,461 0.542,463 1.271,464 0.472,465 1.125,466 0.443,467 2.443,468 0.733,469 -0.178,470 -0.218,472 -0.384,473 -0.156,474 13.605,475 0.469,476 0.571,477 0.02,478 31.25,479 1.078,480 12,481 0.414,482 19.25,483 0.664,484 27.598,485 0.952,486 33.195,487 0.572,488 23.73,489 0.818,490 6.497,491 0.224,492 7.69,493 0.265,494 0.042,496 0.272,499 2,501 0.642,502 1.276,503 0.805,504 1.257,505 0.501,506 1.104,507 1.035,508 1.001,509 1.03,510 0.958,511 0.562,512 0.968,513 0.958,514 0.903,515 1.101,516 0.98,517 0.781,518 1.048,519 0.544,520 0.919,521 0.93,522 1.094,523 0.537,524 1.096,525 0.444,526 0.662,527 0.781,528 0.823,529 0.26,530 0.856,531 0.541,532 0.821,533 0.998,534 1.082,535 0.559,536 1.13,537 0.573,538 1.071,539 0.829,540 1.144,541 0.597,542 1.067,543 1.734,544 1.218,545 1.075,546 0.832,547 1.875,548 0.812,549 5,550 0.112,551 2.889,552 1.438,553 1.338,554 0.556,555 0.725,556 0.569,557 0.18,558 0.244,559 11428,560 29526,561 2.132,562 50,564 29,572 1.721,573 2.047,574 3.483,575 -0.785,577 1,582 88.085,583 1.519,584 2.806,585 3.453,586 3.944,587 4.237,588 4.444,589 2.905,590 3.686,591 4.823,592 3.696,593 1500.4,594 8.411,595 20706.8,597 1,599 1,600 339.763,601 1.178,602 4.812,603 0.156,604 0.005,605 0.067,606 0.033,607 0.034,608 0.013,609 0.018,610 0.016,611 0.007,612 0.012,613 0.361,614 0.33,615 1,616 0.434,617 148.196,618 -0.001,619 -0.208,620 0.071,621 -0.114,622 0.003,623 -0.029,624 -0.151,625 -0.024,626 -0.078,627 0.026,628 0.021,629 0.002,630 -0.08,631 0.072,632 -0.145,633 0.007,634 -0.01,635 -0.065,636 0.004,637 -0.083,638 -0.028,639 -0.086,640 0.009,641 -0.069,642 0.013,643 0.047,644 0.118,645 0.127,646 0.029,647 0.145,648 0.078,649 0.039,650 -0.086,651 -0.079,652 -0.001,653 -0.115,654 0.075,655 -0.244,656 0.101,657 -0.163,658 0.081,659 -0.056,660 -0.165,661 -0.051,662 0.036,663 0.078,664 -0.111,665 0.099,666 1.903,667 5.456,668 0.828,669 31.993,670 1,671 1.141,672 3.328,673 11.075,674 0.638,675 3.497,676 3.784,677 4.025,678 4.263,679 4.533,680 4.533,681 4.71,682 4.796,683 4.796,684 4.89,685 7.022,686 0.602,687 401.55,688 3.497,689 5.017,690 5.849,691 6.706,692 7.556,693 8.42,694 9.281,695 10.149,696 11.016,697 11.887,698 5.2,701 3,715 8,720 4,722 12,740 2,741 58,743 12,744 2,745 32,747 61,748 23,749 12,750 4,751 8,756 4,757 4,770 1,772 12,773 11,790 1,791 2,793 29,794 6,796 6,802 3,808 1,809 1,829 4,855 3,858 1,859 4,866 2,868 29,876 10,878 1,880 1,881 3,892 2,893 1.7,897 1,901 14.167,902 10.052,903 6.417,904 3.633,907 1.437,908 1.196,909 0.978,910 6.884,911 8.771,912 3.664,913 4.143,914 4.59,915 5.061,916 5.584,917 5.631,918 5.967,919 6.278,920 6.442,921 6.698,922 0.875,923 43,924 10.822,926 4.601,927 0.026,929 7.724,931 21.149,933 17.709,936 2.224,937 64.5,939 1,940 1,941 341.362,942 126.454,943 9.373,945 11,946 29.92,948 126.454,949 352.362,950 39.293,952 26.03,953 75.81,954 11,955 33.986,956 29.92,957 341.362,959 341.362,960 135.827,961 40.92,964 371.282,966 11,968 35.403,969 100.423,972 371.282,973 20.373,974 126.454,977 341.362,978 50.644,979 85.183,981 40.92,982 341.362,983 50.293,984 126.454,986 0.573,987 0.325,988 0.172,989 0.103,990 20,991 8,992 0.098,993 6,995 1,996 4.161,997 250.779,999 24,1000 110.881,1005 20.43,1006 9.772,1007 5.401,1009 50.293,1010 13.383,1015 1.61,1018 518.109,1019 38,1031 58.029,1032 66.197,1034 0.259,1035 0.479,1036 0.589,1037 0.673,1038 0.723,1039 0.759,1040 4.898,1041 1.492,1042 5.802,1043 5.382,1044 4.466,1045 4.828,1046 1.998,1047 6.555,1048 4.352,1049 6.029,1050 1,1051 7.319,1052 3.151,1053 3.892,1054 4.369,1055 1.182,1056 7.361,1057 3.687,1058 7.286,1059 1,1060 8.936,1061 2.275,1062 5.999,1063 6.806,1064 1.824,1065 10.454,1066 5.79,1067 8.569,1068 1,1069 10.615,1070 2.275,1071 6.256,1072 7.146,1073 1.552,1074 12.187,1075 5.979,1076 9.886,1077 1,1078 12.339,1079 2.275,1080 7.799,1081 9.076,1082 1.932,1083 14.808,1084 7.514,1085 11.225,1086 0.773,1087 14.096,1088 2.136,1089 8.468,1090 9.803,1091 1.918,1092 16.952,1093 8.139,1094 12.582,1095 0.504,1096 15.88,1097 1.933,1098 9.766,1099 11.497,1100 2.208,1101 19.43,1102 9.422,1103 3.147,1104 -0.178,1105 17.687,1106 1.271,1107 10.656,1108 12.446,1109 2.324,1110 21.743,1111 10.284,1112 2.611,1113 11.165,1114 19.512,1115 -0.384,1116 11.846,1117 14.006,1118 2.581,1119 24.176,1120 11.455,1121 2.501,1122 7.282,1123 21.354,1124 3.829,1125 12.855,1126 15.09,1127 2.762,1128 26.553,1129 12.442,1130 2.464,1131 6.861,1132 23.209,1133 3.535,1134 14.003,1135 16.567,1136 3.008,1137 28.972,1138 13.569,1139 2.304,1140 6.791,1141 25.075,1142 3.024,1143 15.075,1144 17.739,1145 3.22,1146 31.371,1147 14.62,1148 1.908,1149 6.314,1150 26.951,1151 2.618,1152 16.209,1153 19.162,1154 3.463,1155 33.786,1156 15.733,1157 1.857,1158 5.619,1159 28.835,1160 2.509,1161 17.314,1162 20.391,1163 3.691,1164 36.194,1165 16.816,1166 10789,1167 17487,1168 21.959,1169 37.006,1170 47.263,1171 47.671,1172 48.161,1173 47.329,1174 47.124,1175 55.827,1176 8.461,1177 129.457,1178 44.359,1179 5.341,1180 5.557,1181 6.585,1182 5.22,1183 5.147,1184 6.829,1185 2.137,1186 17.914,1187 5.055,1188 10.321,1189 1.477,1190 1.49,1191 1.505,1192 1.479,1193 1.473,1194 1.745,1195 0.264,1196 4.046,1197 1.386,1198 4.028,1199 4.067,1200 3.969,1201 3.946,1202 8.203,1203 3.946,1204 3.844,1205 3.906,1206 3.772,1207 3.751,1208 8.2,1209 3.75,1210 3.824,1211 3.852,1212 3.732,1213 3.647,1214 4.718,1215 3.659,1216 3.736,1217 3.802,1218 3.616,1219 3.525,1220 4.625,1221 3.537,1222 3.371,1223 3.443,1224 3.245,1225 3.168,1226 4.547,1227 3.173,1228 3.149,1229 3.206,1230 3.038,1231 2.991,1232 4.336,1233 2.99,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.993,1239 2.91,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.697,1245 2.91,1246 0.136,1247 0.111,1248 0.212,1249 0.129,1250 0.098,1251 4.341,1252 0.12,1253 3.557,1254 0.04,1255 6.783,1256 0.349,1257 4.117,1258 0.095,1259 3.147,1260 3.829,1261 1.277,1262 11.165,1263 3.055,1264 1.98,1265 1.953,1266 2.088,1267 2.094,1268 1.37,1269 2.095,1270 1.812,1271 1.787,1272 1.988,1273 2.003,1274 1.258,1275 2.003,1276 1.787,1277 1.719,1278 1.923,1279 1.914,1280 1.161,1281 1.916,1282 1.685,1283 1.619,1284 1.906,1285 1.907,1286 0.99,1287 1.912,1288 1.34,1289 1.268,1290 1.628,1291 1.582,1292 0.919,1293 1.599,1294 1.153,1295 1.064,1296 1.513,1297 1.376,1298 0.825,1299 1.429,1300 1.153,1301 1.064,1302 1.513,1303 1.376,1304 0.825,1305 1.429,1306 1.111,1307 1.061,1308 1.308,1309 1.312,1310 0.546,1311 1.312,1312 4.174,1314 5.468,1316 6.961,1318 8.539,1320 10.159,1324 26.911,1328 9.76,1330 5.422,1332 0.012,1333 7.403,1340 34.921,1341 88.085,1342 162.769,1343 200.253,1344 228.743,1345 245.763,1346 257.763,1347 51.662,1348 7.334,1349 18.95,1350 18.95,1351 24,1352 12.43,1353 3.7,1354 2.807,1355 44.67,1356 117,1357 136,1358 0.179,1359 211.032,1360 373.31,1361 506.678,1362 14333,1363 3.4,1364 20.054,1365 0.692,1366 0.578,1367 18.313,1368 16.773,1369 14.187,1370 0.443,1371 0.327,1372 10.28,1373 13.496,1374 10.123,1375 8.245,1376 13.399,1377 10.463,1378 12.479,1379 0.29,1380 0.182,1381 11.236,1382 7.837,1383 10.353,1384 0.188,1385 0.109,1386 9.532,1387 5.98,1388 8.305,1389 0.119,1390 0.061,1391 8.002,1392 4.257,1393 7.221,1394 0.078,1395 0.034,1396 6.75,1397 3.171,1398 0.282,1399 89.652,1400 0.213,1401 27.786,1402 0.487,1403 150,1404 492.893,1405 167.118,1406 418.362,1407 551.9,1408 394,1409 173,1410 379.993,1411 189.832,1412 372.171,1413 545.14,1414 351,1415 6.546}
{0 CHEMBL380830,1 1.537,2 7.947,3 1.992,4 3.969,5 68.314,6 7.314,7 0.286,8 3.708,9 3.805,10 3.262,11 3.168,12 4.762,13 3.175,14 4.302,15 4.45,16 3.684,17 3.584,18 5.422,19 3.575,20 4.536,21 4.711,22 3.678,23 3.729,24 5.525,25 3.686,26 4.555,27 4.774,28 3.497,29 3.611,30 5.566,31 3.538,32 4.355,33 4.551,34 3.312,35 3.38,36 5.449,37 3.326,38 4.098,39 4.307,40 3.019,41 3.137,42 5.088,43 3.061,44 3.926,45 4.147,46 3.006,47 3.019,48 5.053,49 2.945,50 3.951,51 4.176,52 2.776,53 2.887,54 5.13,55 2.812,56 0.061,57 0.49,58 7.826,59 3.548,60 6.085,61 4.391,62 0.503,63 0.788,64 16.258,65 5.968,66 37.36,67 7.673,68 0.379,69 0.955,70 20.923,71 7.539,72 30.41,73 9.752,74 0.462,75 0.9,76 22.693,77 7.416,78 43.71,79 10.018,80 0.533,81 0.725,82 18.682,83 5.601,84 46.319,85 7.426,86 0.41,87 0.566,88 14.415,89 4.419,90 29.803,91 6.019,92 0.273,93 0.509,94 11.677,95 3.851,96 25.187,97 5.579,98 0.464,99 0.484,100 12.842,101 3.144,102 50.406,103 4.553,104 14,105 31,106 0.285,107 0.641,108 0.813,109 0.869,110 0.879,111 0.879,112 3.011,113 0.927,114 -2.84,115 -2.85,116 -2.76,121 38.9,122 2,123 1,125 1,127 2,130 1,144 3,145 1,146 2,161 1,176 5,179 2,180 7,183 2,185 1,187 6,192 7,200 5,206 8,211 2,214 3,218 1,219 5,224 2,227 2,231 1,232 1,237 1,239 2,243 1,244 2,247 1,249 2,251 2,255 1,259 1,264 1,269 1,277 2,281 374,282 12.704,283 12.704,284 12.704,285 12.704,286 12.704,287 11.864,288 19.106,289 7.4,290 13.003,291 10.346,292 10.346,293 10.346,294 10.346,295 10.346,296 8.963,297 22.376,298 3.464,299 10.799,300 3.633,301 1.712,302 0.785,303 0.486,304 0.431,305 0.431,306 3.686,311 1,312 1,313 328,314 3.317,317 36.007,318 79.823,319 48.115,322 68.115,323 75.822,325 1.224,326 21.392,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 42.5,338 151,339 4.664,340 3.814,341 7.576,342 4.528,343 3.537,344 4.105,345 2.186,346 13.68,347 3.502,348 3.937,349 3.659,350 5.861,351 3.595,352 2.65,353 3.232,354 1.392,355 8.146,356 2.501,357 3.635,358 2.903,359 5.432,360 3.312,361 2.364,362 2.839,363 0.532,364 7.179,365 2.234,366 3.368,367 2.759,368 5.33,369 3.229,370 2.248,371 2.536,372 0.366,373 6.712,374 2.181,375 3.204,376 2.423,377 4.773,378 2.884,379 1.924,380 2.272,382 5.322,383 1.831,384 2.557,385 1.511,386 4.169,387 2.137,388 1.14,389 1.579,391 3.149,392 1.136,393 2.123,394 1.348,395 3.72,396 1.983,397 1.025,398 1.08,400 1.869,401 0.973,402 1.753,403 1.173,404 3.175,405 1.637,406 0.74,407 0.747,409 1.714,410 0.655,411 1.47,412 0.889,413 3.069,414 1.167,415 0.239,416 0.274,418 0.607,419 0.218,420 0.879,421 0.4,422 2.936,423 0.627,424 -0.312,425 -0.337,427 -0.698,428 -0.289,429 0.691,430 -0.049,431 2.486,432 0.441,433 -0.546,434 -0.592,436 -1.162,437 -0.535,438 0.646,439 -0.257,440 2.269,441 0.376,442 -0.648,443 -0.792,445 -1.813,446 -0.655,447 0.438,448 -0.53,449 2.152,450 0.127,451 -0.867,452 -0.993,454 -2.686,455 -0.861,456 0.146,457 -0.713,458 1.917,459 -0.004,460 -1,461 -1.297,463 -2.885,464 -0.995,465 -0.327,466 -0.935,467 1.652,468 -0.508,469 -1.454,470 -1.643,472 -3.643,473 -1.357,474 8.733,475 0.46,476 0.568,477 0.03,478 21.25,479 1.118,480 8.5,481 0.447,482 12.75,483 0.671,484 15.779,485 0.83,486 21.867,487 0.607,488 13.916,489 0.732,490 4.012,491 0.211,492 5.092,493 0.268,494 0.153,495 0.057,496 0.286,501 0.823,502 1.384,503 0.77,504 1.274,505 0.657,506 1.045,507 0.803,508 0.917,509 0.79,510 0.921,511 0.514,512 0.863,513 1.134,514 1.101,515 1.046,516 1.128,517 0.839,518 1.074,519 1.137,520 1.011,521 0.997,522 1.006,523 1.008,524 0.98,525 1.385,526 1.016,527 1.197,528 1,529 1.626,530 1.045,531 1.178,532 1.023,533 1.136,534 0.994,535 1.138,536 1.048,537 0.535,538 1.267,539 0.796,540 1.164,541 0.941,542 1.066,543 1.328,544 0.817,545 1.325,546 0.822,547 2.553,548 1.007,549 5.5,550 0.032,551 2.444,552 1.819,553 1.134,554 0.382,555 0.42,556 0.196,557 0.161,558 0.05,559 3098,560 8398,561 2.069,562 47.2,563 3,564 7,565 1,567 1,569 3,570 2,572 1.603,573 1.916,574 2.95,575 -0.249,577 1,578 1,579 1,582 55.327,583 1.537,584 3.458,585 4.385,586 4.684,587 4.739,588 4.739,589 2.465,590 4.037,591 4.217,592 3.084,593 527.343,594 7.184,595 5028.75,596 1,597 1,599 1,600 186.117,601 1.638,602 4.16,603 0.262,604 0.016,605 0.079,606 0.061,607 0.047,608 0.02,609 0.03,610 0.014,611 0.016,612 0.008,613 0.553,614 0.83,615 1,616 1.538,617 81.296,618 -0.049,619 -0.152,620 0.069,621 -0.114,622 -0.067,623 -0.009,624 0.226,625 0.182,626 0.148,627 0.127,628 0.217,629 0.119,630 -0.154,631 -0.066,632 -0.107,633 -0.098,634 -0.082,635 -0.089,636 -0.13,637 -0.079,638 -0.016,639 -0.031,640 -0.03,641 -0.003,642 -0.155,643 -0.064,644 -0.184,645 -0.058,646 -0.204,647 -0.117,648 -0.07,649 -0.074,650 -0.139,651 -0.045,652 -0.149,653 -0.1,654 0.266,655 -0.271,656 0.15,657 -0.189,658 0.211,659 -0.077,660 -0.093,661 0.187,662 -0.283,663 0.02,664 -0.293,665 -0.138,666 2.107,667 4.43,668 0.632,669 12.161,670 1.013,671 1.129,672 1.613,673 2.601,674 0.637,675 3.091,676 3.466,677 3.738,678 4.06,679 4.29,680 4.407,681 4.522,682 4.522,683 4.615,684 4.554,685 4.708,686 0.614,687 263.32,688 3.091,689 4.654,690 5.517,691 6.435,692 7.324,693 8.25,694 9.153,695 10.082,696 10.994,697 11.925,698 2.8,705 1,715 3,720 3,722 6,737 1,739 1,741 36,743 7,744 1,745 21,747 38,748 14,749 6,750 3,751 3,756 3,757 6,763 2,764 1,766 1,767 1,770 1,772 7,773 7,777 1,782 1,786 1,789 1,790 1,793 17,794 5,795 1,796 5,802 1,808 0.333,809 4,815 1,828 1,829 2,830 1,833 1,834 1,858 1,859 1,864 2,868 19,876 3,877 1,878 3,880 1,882 1,893 11.1,896 1,897 1,898 2,901 9.917,902 7,903 4.111,904 2.285,907 1.321,908 1.195,909 0.935,910 3.149,911 8.084,912 3.258,913 3.795,914 4.266,915 4.807,916 5.296,917 5.519,918 5.853,919 6.021,920 6.191,921 6.169,922 1,923 30,924 7.048,926 3.039,927 0.026,929 7.803,931 13.458,933 11.265,936 2.303,937 43.75,938 0.001,941 188.338,942 76.106,943 18.011,945 58.145,948 76.106,949 246.482,950 18.011,951 17.65,952 27.243,953 28.788,954 36.145,955 35.672,956 18.534,957 176.567,959 188.338,960 94.117,961 58.145,964 129.482,965 106,966 11,967 0.36,968 44.894,969 48.864,972 188.338,973 76.155,974 76.106,977 188.697,978 29.668,979 46.079,980 18.011,981 58.145,982 188.338,983 76.155,984 76.106,986 0.588,987 0.338,988 0.187,989 0.098,990 17,991 7,992 0.079,993 3,994 3,995 1.417,996 3.099,997 144.762,998 0.5,999 11,1000 80.711,1005 12.758,1006 4.689,1007 2.303,1009 76.155,1010 5.445,1015 2.391,1017 18.011,1018 340.599,1019 25,1024 11.43,1028 -0.44,1031 36.48,1032 40.658,1034 0.297,1035 0.669,1036 0.848,1037 0.906,1038 0.917,1039 0.917,1040 4.549,1041 0.74,1042 5.565,1043 1.869,1044 4.143,1045 4.477,1046 2.637,1047 6.472,1048 4.068,1049 5.757,1050 0.239,1051 7.188,1052 1.714,1053 4.007,1054 4.425,1055 1.784,1056 7.823,1057 3.947,1058 7.093,1059 -0.312,1060 8.929,1061 0.607,1062 5.883,1063 6.571,1064 3.7,1065 10.903,1066 5.762,1067 8.462,1068 -0.546,1069 10.745,1070 -0.698,1071 6.553,1072 7.272,1073 3.59,1074 13.104,1075 6.456,1076 9.867,1077 -0.648,1078 12.615,1079 -1.162,1080 7.985,1081 8.989,1082 5.007,1083 15.834,1084 7.854,1085 11.295,1086 -0.867,1087 14.523,1088 -1.813,1089 9.004,1090 10.034,1091 5.289,1092 18.324,1093 8.891,1094 12.743,1095 -1,1096 16.46,1097 -2.686,1098 10.301,1099 11.587,1100 6.433,1101 20.97,1102 10.171,1103 3.537,1104 -1.454,1105 18.419,1106 -2.885,1107 11.466,1108 12.805,1109 6.93,1110 23.548,1111 11.343,1112 2.65,1113 13.68,1114 20.394,1115 -3.643,1116 12.728,1117 14.286,1118 7.922,1119 26.173,1120 12.596,1121 2.364,1122 8.146,1123 22.383,1124 4.105,1125 13.951,1126 15.594,1127 8.539,1128 28.777,1129 13.819,1130 2.248,1131 7.179,1132 24.38,1133 3.232,1134 15.208,1135 17.04,1136 9.444,1137 31.396,1138 15.068,1139 1.924,1140 6.712,1141 26.384,1142 2.839,1143 16.454,1144 18.396,1145 10.13,1146 34.008,1147 16.309,1148 1.14,1149 5.322,1150 28.394,1151 2.536,1152 17.711,1153 19.825,1154 10.985,1155 36.625,1156 17.559,1157 1.025,1158 3.149,1159 30.408,1160 2.272,1161 18.967,1162 21.207,1163 11.71,1164 39.24,1165 18.807,1166 3085,1167 5159,1168 13.811,1169 22.915,1170 31.995,1171 33.211,1172 33.068,1173 31.629,1174 31.733,1175 37.328,1176 8.951,1177 96.758,1178 30.464,1179 5.611,1180 5.814,1181 7.348,1182 5.6,1183 5.537,1184 7.105,1185 3.889,1186 21.662,1187 5.502,1188 9.028,1189 1.524,1190 1.581,1191 1.575,1192 1.506,1193 1.511,1194 1.778,1195 0.426,1196 4.608,1197 1.451,1198 4.043,1199 4.056,1200 3.99,1201 3.945,1202 7.435,1203 3.952,1204 3.686,1205 3.722,1206 3.606,1207 3.52,1208 4.949,1209 3.528,1210 3.571,1211 3.635,1212 3.447,1213 3.359,1214 4.628,1215 3.366,1216 3.201,1217 3.232,1218 3.064,1219 2.933,1220 4.279,1221 2.961,1222 3.132,1223 3.192,1224 2.971,1225 2.872,1226 4.144,1227 2.896,1228 2.843,1229 2.921,1230 2.677,1231 2.647,1232 3.952,1233 2.631,1234 2.771,1235 2.853,1236 2.578,1237 2.556,1238 3.752,1239 2.564,1240 2.679,1241 2.732,1242 2.485,1243 2.514,1244 3.508,1245 2.494,1246 0.222,1247 0.182,1248 0.361,1249 0.216,1250 0.168,1251 4.664,1252 0.195,1253 3.814,1254 0.104,1255 7.576,1256 0.651,1257 4.528,1258 0.167,1259 3.537,1260 4.105,1261 2.186,1262 13.68,1263 3.502,1264 1.946,1265 1.93,1266 2.048,1267 2.045,1268 1.352,1269 2.044,1270 1.572,1271 1.519,1272 1.844,1273 1.828,1274 0.989,1275 1.829,1276 1.521,1277 1.45,1278 1.752,1279 1.685,1280 0.92,1281 1.71,1282 1.294,1283 1.265,1284 1.541,1285 1.603,1286 0.772,1287 1.575,1288 1.043,1289 1.02,1290 1.327,1291 1.385,1292 0.455,1293 1.348,1294 0.882,1295 0.767,1296 1.25,1297 1.188,1298 0.223,1299 1.242,1300 0.802,1301 0.743,1302 1.093,1303 1.009,1304 0.168,1305 1.036,1306 0.644,1307 0.598,1308 0.902,1309 0.879,1310 0.003,1311 0.896,1312 3.761,1314 5.118,1315 2.398,1316 6.676,1317 4.844,1318 8.337,1319 7.034,1320 10.059,1322 3.989,1328 2.014,1329 2.6,1330 16.523,1332 -0.146,1334 -0.057,1340 22.095,1341 55.327,1342 124.502,1343 157.853,1344 168.608,1345 170.608,1346 170.608,1347 28.232,1348 6.763,1349 56.79,1350 56.79,1351 17,1352 12.43,1353 3,1354 2.322,1355 27.862,1356 54,1357 63,1358 0.269,1359 133.953,1360 238.38,1361 318.605,1362 6472,1364 13.458,1365 0.708,1366 0.582,1367 13.458,1368 11.064,1369 9.104,1370 0.434,1371 0.309,1372 6.363,1373 8.595,1374 6.183,1375 5.108,1376 9.104,1377 6.491,1378 8.674,1379 0.28,1380 0.168,1381 8.674,1382 5.201,1383 7.029,1384 0.171,1385 0.088,1386 7.029,1387 3.596,1388 6.213,1389 0.109,1390 0.046,1391 6.213,1392 2.602,1393 4.843,1394 0.067,1395 0.024,1396 4.843,1397 1.7,1398 0.408,1399 58.199,1400 0.269,1401 18.716,1402 0.774,1403 104,1404 339.275,1405 120.445,1406 308.283,1407 419.13,1408 290,1409 124,1410 308.508,1411 138.953,1412 303.546,1413 453,1414 285,1415 6.215}
{0 CHEMBL381499,1 1.435,2 16.917,3 7.206,4 51.922,5 148.551,6 7.086,7 0.525,8 4.335,9 4.466,10 3.863,11 3.924,12 5.3,13 3.869,14 4.91,15 5.096,16 4.217,17 4.349,18 5.825,19 4.255,20 5.222,21 5.471,22 4.267,23 4.476,24 6.062,25 4.35,26 5.213,27 5.461,28 4.198,29 4.432,30 6.073,31 4.298,32 5.2,33 5.459,34 4.083,35 4.397,36 6.003,37 4.243,38 5.199,39 5.468,40 4.063,41 4.378,42 5.977,43 4.205,44 5.184,45 5.461,46 3.991,47 4.321,48 5.987,49 4.132,50 5.08,51 5.355,52 3.839,53 4.21,54 5.901,55 4.014,56 0.067,57 1.013,58 15.717,59 6.75,60 7.984,61 9.436,62 0.197,63 1.691,64 29.903,65 12.056,66 21.727,67 17.089,68 0.339,69 2.129,70 45.233,71 16.032,72 40.637,73 22.955,74 0.441,75 2.123,76 44.449,77 15.187,78 47.893,79 21.953,80 0.397,81 2.06,82 43.069,83 15.374,84 42.819,85 22.111,86 0.351,87 1.984,88 44.211,89 16.139,90 40.013,91 23.122,92 0.403,93 1.867,94 46.713,95 16.303,96 48.147,97 22.963,98 0.447,99 1.647,100 44.747,101 14.885,102 53.041,103 20.7,104 5,105 54,106 0.223,107 0.54,108 0.721,109 0.865,110 0.903,111 0.903,112 3.615,113 1.03,114 -5.26,115 -5.15,116 -4.81,121 42.3,123 10,127 2,144 7,145 4,146 2,148 2,153 1,154 1,160 1,176 16,180 5,183 1,185 8,187 19,192 4,197 8,200 13,206 5,209 1,211 8,214 14,219 2,223 1,224 4,227 13,232 3,237 5,239 17,244 2,247 1,249 2,251 16,256 3,259 1,260 1,261 1,264 17,269 2,274 1,277 14,281 2536,282 24.966,283 24.966,284 24.966,285 24.966,286 24.966,287 22.342,288 21.661,289 15.222,290 25.304,291 19.817,292 19.817,293 19.817,294 19.817,295 19.817,296 15.708,297 19.024,298 7.291,299 20.395,300 4.715,301 2.675,302 1.513,303 0.585,304 0.338,305 0.338,306 4.327,308 1,312 1,313 1356,314 4.183,317 93.414,318 390.928,321 173,322 317.081,325 2.44,326 24.612,329 0.75,330 0.67,331 0.67,332 0.7,333 0.5,334 0.67,335 0.5,336 0.64,337 75.333,338 609,339 4.651,340 3.575,341 6.833,342 4.214,343 3.235,344 4.582,345 1.907,346 11.364,347 3.165,348 4.523,349 3.373,350 6.526,351 4.048,352 3.061,353 4.473,354 0.4,355 10.264,356 3.02,357 3.99,358 3.135,359 6.004,360 3.58,361 2.61,362 3.534,363 0.149,364 8.477,365 2.532,366 3.661,367 2.943,368 5.427,369 3.39,370 2.383,371 2.961,373 6.886,374 2.388,375 3.584,376 2.562,377 5.138,378 3.192,379 2.252,380 2.84,382 6.149,383 2.103,384 3.411,385 2.271,386 5.025,387 3.027,388 2.035,389 2.752,391 5.941,392 2.016,393 3.365,394 2.224,395 4.899,396 2.886,397 1.984,398 2.699,400 5.573,401 1.779,402 3.046,403 1.877,404 4.192,405 2.779,406 1.789,407 2.318,409 3.785,410 1.702,411 2.836,412 1.62,413 4.121,414 2.519,415 1.546,416 1.852,418 3.709,419 1.501,420 2.676,421 1.547,422 3.972,423 2.441,424 1.457,425 1.745,427 3.393,428 1.426,429 2.654,430 1.519,431 3.767,432 2.358,433 1.378,434 1.695,436 3.18,437 1.348,438 2.491,439 1.434,440 3.61,441 2.251,442 1.259,443 1.49,445 2.95,446 1.247,447 2.394,448 1.411,449 3.586,450 2.241,451 1.248,452 1.388,454 2.818,455 1.237,456 2.281,457 1.179,458 3.441,459 2.01,460 1.041,461 1.227,463 2.391,464 1.005,465 2.034,466 1.138,467 3.253,468 1.868,469 0.885,470 0.982,472 2.016,473 0.862,474 17.648,475 0.49,476 0.657,477 0.018,478 42.5,479 1.181,480 20,481 0.556,482 22.5,483 0.625,484 37.061,485 1.029,486 38.752,487 0.546,488 29.053,489 0.807,490 7.572,491 0.21,492 10.115,493 0.281,494 0.059,496 0.283,501 0.759,502 1.212,503 0.75,504 0.989,505 0.559,506 0.958,507 0.688,508 1.231,509 0.821,510 1.071,511 0.54,512 1.056,513 1.012,514 1.043,515 0.888,516 0.932,517 0.963,518 0.924,519 1.133,520 1.069,521 0.944,522 0.999,523 1.124,524 1.025,525 1.102,526 0.991,527 0.908,528 0.968,529 1.116,530 1.03,531 0.839,532 1.013,533 0.865,534 1.016,535 0.884,536 1.034,537 1.03,538 0.95,539 1.042,540 1.012,541 1.182,542 1.011,543 1.217,544 0.855,545 1.28,546 1.037,547 1.367,548 1.029,549 5,550 0.135,551 3.556,552 2.292,553 1.573,554 0.747,555 0.605,556 0.396,557 0.204,558 0.143,559 26123,560 58887,561 2.154,562 49.3,563 12,564 11,565 1,567 3,568 4,569 4,572 1.764,573 2.077,574 3.929,575 0.718,582 101.9,583 1.435,584 3.474,585 4.637,586 5.565,587 5.812,588 5.812,589 3.253,590 4.781,591 5.148,592 4.206,593 2649.94,594 8.986,595 48110.4,600 436.632,601 1.135,602 5.128,603 0.125,604 0.005,605 0.066,606 0.042,607 0.032,608 0.017,609 0.015,610 0.011,611 0.007,612 0.005,613 0.325,614 0.17,615 0.63,616 0.375,617 204.485,618 -0.036,619 -0.011,620 0.031,621 0.038,622 0.016,623 0.049,624 0.064,625 -0.12,626 0.001,627 -0.067,628 0.089,629 -0.059,630 -0.045,631 -0.028,632 0.037,633 0.041,634 -0.027,635 0.055,636 -0.052,637 -0.029,638 -0.055,639 -0.053,640 -0.072,641 -0.069,642 -0.103,643 0.026,644 -0.065,645 -0.023,646 -0.107,647 -0.068,648 0.02,649 -0.049,650 0.018,651 -0.043,652 0.007,653 -0.047,654 0.018,655 -0.03,656 -0.003,657 -0.02,659 -0.019,660 -0.022,661 0.051,662 -0.099,663 -0.027,664 -0.031,665 -0.033,666 1.512,667 5.247,668 0.639,669 43.802,670 0.989,671 1.124,672 4.029,673 16.235,674 0.669,675 3.714,676 4.007,677 4.29,678 4.575,679 4.804,680 4.875,681 4.984,682 5.081,683 5.069,684 4.956,685 10.097,686 0.621,687 503.14,688 3.714,689 5.242,690 6.089,691 6.959,692 7.828,693 8.709,694 9.588,695 10.476,696 11.362,697 12.254,698 5.6,703 1,705 1,706 1,708 1,714 4,715 8,716 1,717 1,720 5,722 21,734 1,740 1,741 71,743 22,744 2,745 40,747 75,748 30,749 17,750 5,751 7,756 5,757 9,758 1,767 4,770 10,772 18,773 12,777 1,782 1,786 1,793 35,794 4,795 3,796 6,797 1,802 4,808 0.4,809 1,822 1,824 1,828 1,829 4,832 1,833 2,843 1,859 2,865 1,868 36,876 12,877 2,892 1,893 1.4,896 1,901 17.333,902 12.426,903 8,904 4.851,907 4.104,908 1.49,909 1.015,910 8.452,911 12.471,912 3.961,913 4.562,914 5.182,915 5.811,916 6.363,917 6.691,918 7.052,919 7.4,920 7.507,921 7.391,922 0.909,923 55,924 13.382,926 5.669,927 0.026,929 7.508,931 26.547,933 22.483,936 2.008,937 72.278,941 376.675,942 134.462,943 69.593,944 39.149,945 25.145,948 134.462,949 440.969,950 69.593,952 47.567,953 75.381,954 64.646,955 39.461,956 13.915,957 364.904,958 39.149,959 376.675,960 204.055,961 25.145,962 39.149,964 329.591,965 72.229,968 69.254,969 100.004,970 73.945,972 376.675,973 94.737,974 173.611,977 376.675,978 59.081,979 75.381,980 52.807,981 81.079,982 376.675,983 94.737,984 173.611,986 0.568,987 0.33,988 0.187,989 0.104,990 25,991 10,992 0.147,993 11,994 3,995 1.261,996 4.974,997 325.137,998 0.261,999 23,1000 184.117,1005 25.106,1006 12.119,1007 6.241,1008 4.546,1009 77.952,1010 16.362,1011 4.908,1012 3.295,1015 5.86,1017 52.807,1018 645.023,1019 51.5,1024 12.247,1028 0.154,1031 70.196,1032 79.79,1034 0.233,1035 0.565,1036 0.754,1037 0.905,1038 0.945,1039 0.945,1040 5.183,1041 1.789,1042 6.043,1043 5.573,1044 4.691,1045 5.25,1046 1.997,1047 6.834,1048 4.637,1049 6.37,1050 1.546,1051 7.579,1052 3.785,1053 4.111,1054 5.085,1055 1.593,1056 7.711,1057 4.016,1058 7.672,1059 1.457,1060 9.224,1061 3.709,1062 6.248,1063 7.509,1064 2.907,1065 10.858,1066 6.152,1067 9.019,1068 1.378,1069 10.937,1070 3.393,1071 6.567,1072 8.26,1073 3.032,1074 12.65,1075 6.444,1076 10.405,1077 1.259,1078 12.697,1079 3.18,1080 8.113,1081 10.134,1082 4.038,1083 15.3,1084 7.983,1085 11.821,1086 1.248,1087 14.491,1088 2.95,1089 8.874,1090 11.303,1091 4.409,1092 17.454,1093 8.724,1094 13.259,1095 1.041,1096 16.308,1097 2.818,1098 10.175,1099 12.961,1100 5.25,1101 19.943,1102 10.013,1103 3.235,1104 0.885,1105 18.144,1106 2.391,1107 11.15,1108 14.321,1109 5.75,1110 22.243,1111 10.968,1112 3.061,1113 11.364,1114 19.993,1115 2.016,1116 12.353,1117 15.891,1118 6.501,1119 24.678,1120 12.157,1121 2.61,1122 10.264,1123 21.853,1124 4.582,1125 13.426,1126 17.336,1127 7.068,1128 27.039,1129 13.21,1130 2.383,1131 8.477,1132 23.721,1133 4.473,1134 14.594,1135 18.87,1136 7.771,1137 29.457,1138 14.361,1139 2.252,1140 6.886,1141 25.596,1142 3.534,1143 15.712,1144 20.352,1145 8.374,1146 31.845,1147 15.458,1148 2.035,1149 6.149,1150 27.477,1151 2.961,1152 16.869,1153 21.872,1154 9.051,1155 34.259,1156 16.596,1157 1.984,1158 5.941,1159 29.362,1160 2.84,1161 18.007,1162 23.371,1163 9.674,1164 36.661,1165 17.714,1166 23881,1167 36035,1168 27.622,1169 47.518,1170 58.685,1171 60.099,1172 59.889,1173 58.776,1174 58.596,1175 75.884,1176 4.912,1177 162.905,1178 56.846,1179 5.621,1180 5.575,1181 6.695,1182 5.255,1183 5.235,1184 7.582,1185 3.306,1186 18.902,1187 5.165,1188 11.912,1189 1.467,1190 1.502,1191 1.497,1192 1.469,1193 1.465,1194 1.897,1195 0.123,1196 4.073,1197 1.421,1198 4.141,1199 4.175,1200 4.132,1201 4.063,1202 7.429,1203 4.067,1204 4.099,1205 4.129,1206 4.074,1207 4.026,1208 5.04,1209 4.03,1210 3.789,1211 3.847,1212 3.778,1213 3.665,1214 4.967,1215 3.652,1216 3.736,1217 3.78,1218 3.657,1219 3.643,1220 4.685,1221 3.631,1222 3.628,1223 3.694,1224 3.495,1225 3.455,1226 4.318,1227 3.455,1228 3.484,1229 3.549,1230 3.402,1231 3.352,1232 4.26,1233 3.345,1234 3.354,1235 3.424,1236 3.335,1237 3.194,1238 4.164,1239 3.191,1240 3.255,1241 3.319,1242 3.175,1243 3.101,1244 4.128,1245 3.095,1246 0.116,1247 0.089,1248 0.171,1249 0.105,1250 0.081,1251 4.651,1252 0.115,1253 3.575,1254 0.048,1255 6.833,1256 0.284,1257 4.214,1258 0.079,1259 3.235,1260 4.582,1261 1.907,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.149,1267 2.158,1268 1.437,1269 2.159,1270 1.94,1271 1.917,1272 2.042,1273 2.02,1274 1.369,1275 2.028,1276 1.779,1277 1.722,1278 2.017,1279 1.953,1280 1.234,1281 1.975,1282 1.75,1283 1.709,1284 1.926,1285 1.865,1286 1.154,1287 1.892,1288 1.66,1289 1.601,1290 1.862,1291 1.854,1292 1.078,1293 1.864,1294 1.528,1295 1.467,1296 1.769,1297 1.733,1298 1.024,1299 1.745,1300 1.324,1301 1.26,1302 1.541,1303 1.574,1304 0.76,1305 1.574,1306 1.24,1307 1.175,1308 1.474,1309 1.433,1310 0.698,1311 1.453,1312 4.394,1314 5.694,1315 2.398,1316 7.192,1317 4.727,1318 8.795,1319 6.823,1320 10.46,1323 6.234,1328 11.869,1329 6.803,1340 44.057,1341 101.9,1342 246.677,1343 329.206,1344 395.122,1345 412.632,1346 412.632,1347 60.282,1348 8.367,1349 69.81,1350 69.81,1351 29,1352 12.783,1353 4.524,1354 3.644,1355 55.187,1356 227,1357 190,1358 0.114,1359 271.806,1360 463.76,1361 654.967,1362 73045,1363 1.4,1364 24.744,1365 0.687,1366 0.6,1367 25.244,1368 21.593,1369 17.687,1370 0.442,1371 0.343,1372 13.297,1373 17.04,1374 13.015,1375 10.754,1376 17.975,1377 13.732,1378 15.377,1379 0.285,1380 0.19,1381 15.785,1382 10.268,1383 12.965,1384 0.18,1385 0.104,1386 13.227,1387 7.484,1388 11.076,1389 0.115,1390 0.057,1391 11.311,1392 5.508,1393 9.052,1394 0.075,1395 0.033,1396 9.284,1397 3.971,1398 0.192,1399 111.643,1400 0.19,1401 34.311,1402 0.282,1403 188,1404 438.583,1405 212.95,1406 465.37,1407 640.71,1408 438,1409 220,1410 456.668,1411 239.246,1412 474.812,1413 696.68,1414 452,1415 10}
{0 CHEMBL381782,1 1.455,2 10.308,3 4.413,4 19.476,5 103.215,6 6.892,7 0.414,8 4.025,9 4.151,10 3.539,11 3.548,12 5.046,13 3.518,14 4.601,15 4.794,16 3.963,17 3.987,18 5.593,19 3.942,20 4.849,21 5.031,22 4.048,23 4.193,24 5.78,25 4.113,26 5.066,27 5.321,28 3.944,29 4.22,30 5.944,31 4.096,32 5.003,33 5.255,34 3.772,35 4.072,36 5.955,37 3.925,38 4.883,39 5.18,40 3.526,41 3.782,42 5.766,43 3.649,44 4.36,45 4.565,46 3.476,47 3.574,48 5.405,49 3.503,50 4.362,51 4.562,52 3.41,53 3.576,54 5.478,55 3.498,56 0.032,57 0.747,58 11.558,59 4.727,60 8.704,61 6.551,62 0.396,63 1.247,64 22.182,65 7.844,66 33.043,67 11.306,68 0.172,69 1.565,70 27.978,71 10.619,72 25.635,73 14.996,74 0.347,75 1.784,76 36.721,77 12.268,78 41.935,79 18.164,80 0.315,81 1.535,82 34.751,83 12.518,84 53.037,85 17.729,86 0.552,87 1.199,88 32.969,89 10.302,90 63.198,91 14.518,92 0.265,93 0.852,94 18.047,95 6.378,96 27.654,97 8.68,98 0.336,99 0.876,100 18.216,101 5.899,102 39.973,103 8.127,104 26,105 44,106 0.245,107 0.577,108 0.782,109 0.867,110 0.88,111 0.88,112 3.305,113 0.933,114 -4.53,115 -4.46,116 -4.2,121 41.2,122 2,123 1,125 1,126 2,127 1,130 1,144 7,145 2,146 3,161 1,176 10,179 2,180 7,183 2,185 2,187 11,192 8,197 3,200 9,206 9,211 3,214 4,218 1,219 11,224 2,227 2,231 1,232 3,237 1,239 4,243 1,244 2,247 1,249 2,251 10,255 1,259 1,264 10,269 2,277 9,281 916,282 17.187,283 17.187,284 17.187,285 17.187,286 17.187,287 15.567,288 25.391,289 9.728,290 17.546,291 14.261,292 14.261,293 14.261,294 14.261,295 14.261,296 11.799,297 35.698,298 4.577,299 14.84,300 4.217,301 2.251,302 1.033,303 0.53,304 0.451,305 0.451,306 3.995,311 1,312 1,313 588,314 3.464,317 99.71,318 140.056,320 80.476,321 85.259,324 119.323,325 1.515,326 18.263,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 55.5,338 268,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 4.19,349 3.679,350 6.211,351 3.814,352 2.842,353 3.788,354 0.966,355 8.84,356 2.765,357 3.969,358 2.913,359 6.169,360 3.622,361 2.662,362 3.314,363 0.693,364 8.696,365 2.552,366 3.654,367 2.81,368 6.054,369 3.383,370 2.445,371 2.869,372 0.366,373 8.453,374 2.281,375 3.465,376 2.742,377 5.435,378 3.272,379 2.337,380 2.592,382 7.121,383 2.17,384 3.295,385 2.501,386 4.856,387 2.937,388 1.969,389 2.423,391 5.405,392 1.889,393 2.875,394 1.747,395 4.698,396 2.441,397 1.493,398 2.039,400 4.387,401 1.414,402 2.806,403 1.669,404 4.216,405 2.414,406 1.414,407 1.915,409 3.552,410 1.411,411 2.615,412 1.472,413 4.081,414 2.347,415 1.361,416 1.629,418 3.06,419 1.334,420 2.517,421 1.171,422 3.722,423 2.127,424 1.133,425 1.521,427 2.958,428 1.126,429 1.785,430 0.933,431 3.595,432 1.695,433 0.73,434 0.761,436 1.822,437 0.702,438 1.415,439 0.744,440 3.088,441 1.129,442 0.181,443 0.212,445 0.445,446 0.169,447 1.228,448 0.483,449 2.987,450 0.856,451 -0.107,452 -0.131,454 -0.264,455 -0.102,456 0.787,457 -0.008,458 2.621,459 0.64,460 -0.301,461 -0.311,463 -0.744,464 -0.282,465 0.762,466 -0.046,467 2.427,468 0.41,469 -0.579,470 -0.701,472 -1.387,473 -0.562,474 12.367,475 0.476,476 0.86,477 0.033,478 32.25,479 1.24,480 15,481 0.577,482 17.25,483 0.663,484 23.669,485 0.91,486 28.433,487 0.558,488 23.546,489 0.906,490 6.204,491 0.239,492 6.194,493 0.238,494 0.189,495 0.04,496 0.348,501 0.812,502 1.438,503 0.842,504 1.17,505 0.638,506 1.03,507 0.706,508 0.871,509 0.783,510 0.771,511 0.396,512 0.769,513 1.006,514 1.396,515 1.082,516 1.256,517 0.725,518 1.192,519 1.04,520 0.997,521 1.089,522 1.027,523 0.694,524 1.04,525 1.07,526 1.159,527 1.071,528 1.245,529 1.23,530 1.178,531 1.757,532 0.569,533 0.85,534 0.576,535 1.736,536 0.613,537 1.497,538 1.002,539 1.004,540 0.982,541 1.542,542 0.956,543 1.862,544 0.922,545 1.301,546 0.944,547 2.644,548 1.041,549 6.5,550 0.183,551 4.222,552 3.646,553 1.668,554 0.764,555 0.612,556 0.3,557 0.286,558 0.246,559 8004,560 17242,561 2.069,562 49,563 6,564 15,565 1,567 1,569 2,572 1.689,573 1.891,574 3.291,575 -0.37,577 1,582 74.204,583 1.455,584 3.422,585 4.64,586 5.143,587 5.221,588 5.221,589 2.68,590 4.47,591 4.675,592 3.472,593 1128.55,594 8.088,595 13902.9,597 1,599 1,600 289.294,601 1.693,602 4.603,603 0.224,604 0.009,605 0.096,606 0.079,607 0.043,608 0.025,609 0.024,610 0.012,611 0.012,612 0.012,613 0.537,614 0.5,615 1,616 0.638,617 126.54,618 -0.003,619 -0.221,620 0.075,621 -0.08,622 -0.053,623 -0.007,624 0.288,625 0.283,626 0.187,627 0.23,628 0.248,629 0.205,630 -0.083,631 -0.293,632 -0.136,633 -0.221,634 -0.023,635 -0.194,636 -0.109,637 0.031,638 -0.109,639 -0.075,640 0.046,641 -0.079,642 0.037,643 -0.238,644 -0.081,645 -0.262,646 0.016,647 -0.196,648 -0.093,649 0.231,650 0.228,651 0.341,652 -0.11,653 0.323,654 0.005,655 -0.014,656 0.018,657 0.012,658 -0.035,659 0.007,660 -0.211,661 0.132,662 -0.262,663 0.013,664 -0.325,665 -0.116,666 2.129,667 5.306,668 0.692,669 21.189,670 0.994,671 1.127,672 3.302,673 10.901,674 0.653,675 3.401,676 3.807,677 4.143,678 4.477,679 4.673,680 4.727,681 4.905,682 4.977,683 4.984,684 5.056,685 6.137,686 0.614,687 351.49,688 3.401,689 4.99,690 5.883,691 6.815,692 7.73,693 8.669,694 9.597,695 10.542,696 11.479,697 12.428,698 5.9,701 1,704 1,705 1,715 7,720 5,722 12,736 1,737 1,741 51,743 13,744 2,745 29,747 54,748 21,749 12,750 5,751 7,756 4,757 7,763 2,764 1,766 1,767 1,770 1,772 13,773 8,777 1,782 1,786 1,790 1,793 25,794 5,795 1,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 4,868 26,876 2,877 1,878 1,880 1,881 2,882 1,893 3.9,896 1,898 1,901 13.75,902 10.4,903 5.514,904 3.024,907 2.186,908 1.286,909 0.967,910 4.204,911 9.832,912 3.611,913 4.205,914 4.736,915 5.284,916 5.764,917 5.905,918 6.237,919 6.504,920 6.633,921 6.831,922 0.857,923 46,924 9.639,926 4.146,927 0.026,929 7.599,931 18.778,933 15.981,936 2.099,937 54.583,939 1,940 1,941 282.506,942 129.308,943 24.259,945 36.145,948 129.308,949 318.651,950 24.259,951 34.443,952 22.651,953 66.334,954 25.145,955 34.377,956 18.534,957 270.735,959 282.506,960 153.567,961 36.145,964 258.964,965 59.687,968 43.426,969 110.141,972 282.506,973 60.404,974 129.308,977 282.506,978 28.531,979 107.026,980 18.011,981 36.145,982 282.506,983 60.404,984 129.308,986 0.603,987 0.367,988 0.205,989 0.107,990 24,991 11,992 0.056,993 3,994 2,995 1.222,996 3.705,997 230.381,998 0.222,999 18,1000 120.211,1005 17.379,1006 6.289,1007 2.812,1009 60.404,1010 13.624,1015 4.832,1017 18.011,1018 472.218,1019 36,1024 12.306,1028 -0.462,1031 50.68,1032 57.481,1034 0.256,1035 0.603,1036 0.818,1037 0.907,1038 0.92,1039 0.92,1040 4.913,1041 1.414,1042 5.938,1043 4.387,1044 4.489,1045 4.89,1046 2.466,1047 6.884,1048 4.414,1049 6.141,1050 1.361,1051 7.59,1052 3.552,1053 4.369,1054 4.808,1055 1.905,1056 8.26,1057 4.268,1058 7.484,1059 1.133,1060 9.361,1061 3.06,1062 6.248,1063 7.028,1064 3.531,1065 11.429,1066 6.112,1067 8.863,1068 0.73,1069 11.207,1070 2.958,1071 6.957,1072 7.703,1073 3.612,1074 13.709,1075 6.808,1076 10.279,1077 0.181,1078 13.107,1079 1.822,1080 8.401,1081 9.476,1082 4.913,1083 16.532,1084 8.227,1085 11.721,1086 -0.107,1087 15.046,1088 0.445,1089 9.469,1090 10.504,1091 5.293,1092 19.127,1093 9.285,1094 13.186,1095 -0.301,1096 17.016,1097 -0.264,1098 10.792,1099 12.094,1100 6.388,1101 21.876,1102 10.589,1103 3.737,1104 -0.579,1105 19.011,1106 -0.744,1107 12.007,1108 13.302,1109 6.931,1110 24.565,1111 11.791,1112 2.842,1113 15.306,1114 21.025,1115 -1.387,1116 13.308,1117 14.805,1118 7.902,1119 27.298,1120 13.073,1121 2.662,1122 8.84,1123 23.053,1124 4.206,1125 14.581,1126 16.108,1127 8.539,1128 30.015,1129 14.33,1130 2.445,1131 8.696,1132 25.094,1133 3.788,1134 15.884,1135 17.57,1136 9.436,1137 32.744,1138 15.613,1139 2.337,1140 8.453,1141 27.143,1142 3.314,1143 17.182,1144 18.925,1145 10.13,1146 35.469,1147 16.892,1148 1.969,1149 7.121,1150 29.2,1151 2.869,1152 18.49,1153 20.366,1154 10.981,1155 38.197,1156 18.18,1157 1.493,1158 5.405,1159 31.262,1160 2.592,1161 19.798,1162 21.752,1163 11.71,1164 40.925,1165 19.468,1166 7610,1167 11308,1168 18.898,1169 33.302,1170 45.042,1171 45.892,1172 47.433,1173 44.617,1174 44.606,1175 54.536,1176 8.422,1177 140.088,1178 42.94,1179 5.797,1180 5.973,1181 7.693,1182 5.805,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 14.249,1189 1.553,1190 1.582,1191 1.636,1192 1.539,1193 1.538,1194 1.881,1195 0.29,1196 4.831,1197 1.481,1198 4.093,1199 4.131,1200 4.04,1201 3.996,1202 7.435,1203 4.002,1204 3.926,1205 3.96,1206 3.864,1207 3.855,1208 4.843,1209 3.852,1210 3.699,1211 3.742,1212 3.616,1213 3.563,1214 4.746,1215 3.566,1216 3.398,1217 3.439,1218 3.337,1219 3.114,1220 4.445,1221 3.158,1222 3.272,1223 3.362,1224 3.101,1225 3.048,1226 4.143,1227 3.043,1228 3.227,1229 3.31,1230 3.036,1231 3.028,1232 3.938,1233 3.014,1234 3.169,1235 3.256,1236 2.962,1237 2.984,1238 3.898,1239 2.986,1240 2.976,1241 3.093,1242 2.709,1243 2.761,1244 3.876,1245 2.727,1246 0.167,1247 0.137,1248 0.276,1249 0.163,1250 0.129,1251 4.832,1252 0.145,1253 3.973,1254 0.075,1255 8.006,1256 0.528,1257 4.714,1258 0.126,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.919,1265 1.894,1266 2.036,1267 2.022,1268 1.31,1269 2.025,1270 1.897,1271 1.873,1272 2.002,1273 1.979,1274 1.135,1275 1.988,1276 1.633,1277 1.577,1278 1.832,1279 1.836,1280 1.057,1281 1.837,1282 1.534,1283 1.453,1284 1.787,1285 1.754,1286 1.012,1287 1.774,1288 1.255,1289 1.205,1290 1.58,1291 1.565,1292 0.644,1293 1.546,1294 1.209,1295 1.128,1296 1.553,1297 1.444,1298 0.604,1299 1.47,1300 1.147,1301 1.077,1302 1.453,1303 1.418,1304 0.563,1305 1.434,1306 1.014,1307 0.899,1308 1.312,1309 1.291,1310 0.347,1311 1.353,1312 4.078,1314 5.46,1315 3.045,1316 7.038,1317 5.638,1318 8.712,1319 7.921,1320 10.443,1322 8.576,1328 2.175,1329 2.818,1330 5.572,1332 0.355,1333 4.727,1334 0.06,1340 31.289,1341 74.204,1342 174.504,1343 236.623,1344 262.274,1345 266.274,1346 266.274,1347 38.752,1348 7.645,1349 44.81,1350 44.81,1351 22,1352 12.92,1353 3.807,1354 3,1355 38.2,1356 97,1357 90,1358 0.196,1359 190.52,1360 332.72,1361 456.628,1362 21498,1364 18.474,1365 0.711,1366 0.606,1367 18.474,1368 15.744,1369 12.398,1370 0.428,1371 0.311,1372 8.897,1373 11.945,1374 8.514,1375 7.113,1376 12.398,1377 9.021,1378 11.955,1379 0.272,1380 0.174,1381 11.955,1382 7.641,1383 10.344,1384 0.167,1385 0.095,1386 10.344,1387 5.894,1388 9.161,1389 0.105,1390 0.053,1391 9.161,1392 4.574,1393 7.141,1394 0.067,1395 0.028,1396 7.141,1397 3.006,1398 0.307,1399 77.47,1400 0.23,1401 24.921,1402 0.541,1403 146,1404 367.094,1405 159.359,1406 356.156,1407 497.69,1408 334,1409 179,1410 380.092,1411 192.808,1412 387.871,1413 572.96,1414 362,1415 5.259}
{0 CHEMBL381926,1 1.527,2 8.05,3 2.43,4 5.903,5 76.169,6 6.909,7 0.273,8 3.794,9 3.912,10 3.303,11 3.253,12 4.808,13 3.241,14 4.394,15 4.576,16 3.723,17 3.684,18 5.422,19 3.655,20 4.614,21 4.805,22 3.775,23 3.857,24 5.559,25 3.798,26 4.735,27 4.961,28 3.638,29 3.846,30 5.695,31 3.751,32 4.615,33 4.84,34 3.396,35 3.674,36 5.591,37 3.547,38 4.477,39 4.769,40 3.137,41 3.394,42 5.294,43 3.249,44 4.063,45 4.287,46 3.064,47 3.14,48 5.088,49 3.061,50 4.049,51 4.284,52 2.919,53 3.028,54 5.218,55 2.943,56 0.022,57 0.57,58 9.281,59 3.728,60 6.271,61 5.102,62 0.432,63 0.92,64 18.545,65 6.181,66 34.219,67 8.781,68 0.23,69 1.112,70 22.909,71 8.057,72 26.043,73 11.295,74 0.402,75 1.146,76 26.89,77 8.563,78 43.514,79 12.249,80 0.354,81 0.968,82 23.835,83 7.946,84 43.972,85 11.218,86 0.427,87 0.765,88 21.671,89 6.455,90 36.762,91 9.696,92 0.232,93 0.577,94 13.679,95 4.272,96 21.394,97 6.162,98 0.389,99 0.546,100 13.958,101 3.504,102 44.346,103 5.411,104 21,105 33,106 0.276,107 0.622,108 0.823,109 0.872,110 0.872,111 0.872,112 3.059,113 0.955,114 -3.1,115 -3.1,116 -2.98,121 37.5,122 2,123 1,125 1,126 1,127 2,130 1,144 3,145 1,146 2,161 1,176 5,179 2,180 7,183 2,185 1,187 6,192 8,200 5,206 7,211 2,214 3,218 1,219 5,224 2,227 2,231 1,232 1,237 1,239 2,243 1,244 2,247 1,249 2,251 2,255 1,259 1,264 1,269 1,277 2,281 444,282 13.333,283 13.333,284 13.333,285 13.333,286 13.333,287 12.517,288 21.293,289 7.678,290 13.762,291 10.788,292 10.788,293 10.788,294 10.788,295 10.788,296 9.421,297 26.939,298 3.513,299 11.423,300 3.795,301 1.888,302 0.775,303 0.507,304 0.507,305 0.507,306 3.73,310 1,311 1,312 1,313 346,314 3.391,317 69.757,318 39.696,320 56.212,321 60.599,324 84.264,325 1.255,326 18.415,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 44,338 161,339 4.809,340 3.969,341 7.956,342 4.681,343 3.705,344 4.198,345 2.186,346 15.054,347 3.62,348 3.957,349 3.662,350 6.18,351 3.612,352 2.662,353 3.29,354 1.138,355 8.773,356 2.531,357 3.667,358 2.757,359 5.942,360 3.399,361 2.459,362 2.863,363 0.643,364 7.809,365 2.288,366 3.435,367 2.723,368 5.421,369 3.143,370 2.2,371 2.596,372 0.366,373 6.852,374 2.059,375 3.115,376 2.382,377 4.782,378 2.808,379 1.868,380 2.215,382 5.304,383 1.741,384 2.521,385 1.616,386 4.199,387 2.17,388 1.222,389 1.527,391 3.026,392 1.156,393 2.202,394 1.511,395 3.705,396 2.013,397 1.061,398 1.191,400 2.64,401 0.999,402 2.121,403 1.15,404 3.649,405 1.979,406 1.019,407 1.076,409 1.789,410 0.969,411 1.687,412 0.981,413 3.129,414 1.542,415 0.618,416 0.647,418 1.519,419 0.566,420 1.204,421 0.69,422 3.024,423 0.861,424 -0.067,425 -0.078,427 -0.159,428 -0.061,429 0.719,430 0.034,431 2.564,432 0.437,433 -0.545,434 -0.601,436 -0.902,437 -0.52,438 0.653,439 -0.247,440 2.399,441 0.346,442 -0.615,443 -0.641,445 -1.552,446 -0.58,447 0.503,448 -0.392,449 2.206,450 0.261,451 -0.726,452 -0.897,454 -1.943,455 -0.724,456 0.344,457 -0.695,458 2.144,459 0.081,460 -0.91,461 -1.252,463 -2.707,464 -0.901,465 -0.27,466 -0.94,467 1.822,468 -0.402,469 -1.352,470 -1.416,472 -3.574,473 -1.258,474 9.3,475 0.465,476 0.613,477 0.031,478 22,479 1.1,480 8.5,481 0.425,482 13.5,483 0.675,484 17.813,485 0.891,486 23.1,487 0.578,488 14.863,489 0.743,490 4.151,491 0.208,492 5.407,493 0.27,494 0.197,495 0.054,496 0.312,501 0.819,502 1.535,503 0.831,504 1.307,505 0.644,506 1.099,507 0.82,508 0.893,509 0.805,510 0.825,511 0.493,512 0.805,513 1.058,514 1.209,515 0.992,516 1.146,517 0.765,518 1.068,519 1.255,520 0.997,521 1.143,522 1.031,523 0.981,524 1.057,525 1.155,526 1.177,527 1.202,528 1.264,529 1.405,530 1.257,531 0.922,532 0.777,533 0.801,534 0.764,535 0.828,536 0.768,537 1.075,538 1.153,539 0.997,540 1.117,541 1.269,542 1.065,543 1.32,544 0.989,545 1.227,546 0.936,547 2.458,548 1.032,549 5,550 0.02,551 3.333,552 2.799,553 0.961,554 0.615,555 0.375,556 0.303,557 0.164,558 0.069,559 3409,560 8430,561 2.036,562 50,563 3,564 10,565 1,567 1,569 5,572 1.619,573 1.86,574 2.949,575 -0.271,577 1,579 1,582 61.08,583 1.527,584 3.434,585 4.546,586 4.815,587 4.815,588 4.815,589 2.466,590 4.222,591 4.288,592 3.103,593 589.653,594 7.339,595 5812.3,596 1,597 1,599 1,600 212.877,601 1.72,602 4.22,603 0.227,604 0.007,605 0.101,606 0.082,607 0.034,608 0.031,609 0.023,610 0.02,611 0.014,612 0.01,613 0.549,614 0.83,615 1,616 1.545,617 86.99,618 -0.03,619 -0.248,620 0.074,621 -0.127,622 -0.058,623 -0.023,624 0.216,625 0.255,626 0.169,627 0.214,628 0.205,629 0.188,630 -0.105,631 -0.12,632 -0.04,633 -0.085,634 -0.028,635 -0.054,636 -0.19,637 0.009,638 -0.161,639 -0.046,640 -0.045,641 -0.087,642 -0.094,643 -0.222,644 -0.228,645 -0.263,646 -0.167,647 -0.274,648 0.078,649 0.047,650 0.196,651 0.15,652 0.011,653 0.188,654 0.033,655 -0.166,656 -0.004,657 -0.146,658 -0.02,659 -0.103,660 0.011,661 0.008,662 -0.186,663 -0.061,664 -0.11,665 -0.143,666 2.08,667 4.516,668 0.6,669 14.04,670 1.003,671 1.134,672 1.869,673 3.493,674 0.631,675 3.135,676 3.526,677 3.871,678 4.205,679 4.382,680 4.489,681 4.654,682 4.7,683 4.644,684 4.564,685 4.787,686 0.598,687 276.37,688 3.135,689 4.71,690 5.602,691 6.535,692 7.456,693 8.401,694 9.337,695 10.287,696 11.231,697 12.184,698 5,704 1,705 1,715 3,720 3,722 6,736 1,737 1,741 40,743 7,744 1,745 22,747 42,748 15,749 6,750 3,751 3,756 3,757 6,763 2,764 1,766 1,767 1,770 1,772 7,773 8,777 1,782 1,786 1,789 1,790 1,793 20,794 5,795 1,796 5,802 2,808 0.333,809 3,815 1,828 2,829 1,831 1,832 1,835 1,858 1,859 1,864 3,868 20,876 3,877 1,878 2,880 1,881 1,882 1,893 7.5,896 1,897 1,898 1,901 10.75,902 8.033,903 4.375,904 2.546,907 1.318,908 1.192,909 0.934,910 3.383,911 8.188,912 3.296,913 3.839,914 4.36,915 4.908,916 5.376,917 5.628,918 5.982,919 6.201,920 6.203,921 6.147,922 1,923 34,924 7.421,926 3.173,927 0.026,929 7.713,931 14.338,933 12.052,936 2.213,937 44.25,938 0.001,941 223.651,942 81.656,943 21.135,945 47.145,948 81.656,949 270.796,950 21.135,951 26.047,952 27.243,953 28.429,954 36.145,955 25.31,956 18.534,957 211.88,959 223.651,960 102.791,961 47.145,964 164.795,965 95,966 11,968 44.894,969 57.898,972 223.651,973 68.28,974 81.656,977 223.651,978 27.181,979 57.6,980 18.011,981 47.145,982 223.651,983 68.28,984 81.656,986 0.59,987 0.361,988 0.202,989 0.099,990 18,991 8,992 0.071,993 3,994 2,995 1.333,996 3.128,997 158.026,998 0.333,999 12,1000 86.439,1005 13.711,1006 4.935,1007 2.108,1009 68.28,1010 5.793,1015 2.932,1017 18.011,1018 373.587,1019 26,1024 11.516,1028 -0.414,1031 40.138,1032 45.362,1034 0.287,1035 0.645,1036 0.854,1037 0.905,1038 0.905,1039 0.905,1040 4.6,1041 1.019,1042 5.659,1043 2.64,1044 4.205,1045 4.522,1046 2.539,1047 6.627,1048 4.104,1049 5.815,1050 0.618,1051 7.326,1052 1.789,1053 4.111,1054 4.494,1055 1.847,1056 8.084,1057 4.009,1058 7.164,1059 -0.067,1060 9.116,1061 1.519,1062 5.989,1063 6.631,1064 3.585,1065 11.248,1066 5.826,1067 8.554,1068 -0.545,1069 10.986,1070 -0.159,1071 6.746,1072 7.388,1073 3.604,1074 13.571,1075 6.591,1076 9.985,1077 -0.615,1078 12.908,1079 -0.902,1080 8.191,1081 9.093,1082 4.933,1083 16.39,1084 7.998,1085 11.443,1086 -0.726,1087 14.869,1088 -1.552,1089 9.295,1090 10.194,1091 5.293,1092 18.99,1093 9.101,1094 12.924,1095 -0.91,1096 16.857,1097 -1.943,1098 10.623,1099 11.743,1100 6.395,1101 21.728,1102 10.405,1103 3.705,1104 -1.352,1105 18.866,1106 -2.707,1107 11.857,1108 13.008,1109 6.931,1110 24.408,1111 11.627,1112 2.662,1113 15.054,1114 20.892,1115 -3.574,1116 13.162,1117 14.494,1118 7.904,1119 27.127,1120 12.911,1121 2.459,1122 8.773,1123 22.928,1124 4.198,1125 14.443,1126 15.841,1127 8.54,1128 29.829,1129 14.175,1130 2.2,1131 7.809,1132 24.974,1133 3.29,1134 15.746,1135 17.299,1136 9.436,1137 32.543,1138 15.457,1139 1.868,1140 6.852,1141 27.027,1142 2.863,1143 17.044,1144 18.688,1145 10.13,1146 35.252,1147 16.734,1148 1.222,1149 5.304,1150 29.085,1151 2.596,1152 18.349,1153 20.133,1154 10.982,1155 37.964,1156 18.018,1157 1.061,1158 3.026,1159 31.147,1160 2.215,1161 19.654,1162 21.543,1163 11.71,1164 40.675,1165 19.301,1166 3439,1167 5481,1168 14.216,1169 25.228,1170 33.802,1171 35.138,1172 35.974,1173 33.592,1174 33.627,1175 39.207,1176 8.666,1177 105.534,1178 31.857,1179 5.773,1180 5.969,1181 7.728,1182 5.771,1183 5.705,1184 7.198,1185 3.889,1186 23.395,1187 5.62,1188 10.663,1189 1.536,1190 1.597,1191 1.635,1192 1.527,1193 1.529,1194 1.782,1195 0.394,1196 4.797,1197 1.448,1198 4.075,1199 4.102,1200 4.025,1201 3.98,1202 7.435,1203 3.986,1204 3.689,1205 3.726,1206 3.61,1207 3.524,1208 4.863,1209 3.531,1210 3.577,1211 3.641,1212 3.451,1213 3.36,1214 4.6,1215 3.368,1216 3.312,1217 3.399,1218 3.147,1219 3.079,1220 4.265,1221 3.085,1222 3.167,1223 3.218,1224 3.007,1225 2.906,1226 4.103,1227 2.908,1228 3.102,1229 3.182,1230 2.882,1231 2.854,1232 3.898,1233 2.873,1234 2.786,1235 2.859,1236 2.604,1237 2.644,1238 3.825,1239 2.623,1240 2.72,1241 2.817,1242 2.486,1243 2.517,1244 3.508,1245 2.498,1246 0.219,1247 0.18,1248 0.362,1249 0.213,1250 0.168,1251 4.809,1252 0.191,1253 3.969,1254 0.099,1255 7.956,1256 0.684,1257 4.681,1258 0.165,1259 3.705,1260 4.198,1261 2.186,1262 15.054,1263 3.62,1264 1.903,1265 1.884,1266 2.004,1267 1.994,1268 1.31,1269 1.995,1270 1.625,1271 1.572,1272 1.846,1273 1.82,1274 1.032,1275 1.828,1276 1.549,1277 1.471,1278 1.825,1279 1.797,1280 0.987,1281 1.806,1282 1.388,1283 1.328,1284 1.658,1285 1.654,1286 0.858,1287 1.657,1288 1.18,1289 1.11,1290 1.538,1291 1.462,1292 0.631,1293 1.482,1294 1.027,1295 0.983,1296 1.25,1297 1.363,1298 0.365,1299 1.341,1300 0.832,1301 0.747,1302 1.208,1303 1.11,1304 0.223,1305 1.153,1306 0.734,1307 0.651,1308 1.06,1309 0.967,1310 0.147,1311 1.001,1312 3.807,1314 5.176,1315 3.045,1316 6.751,1317 5.587,1318 8.431,1319 7.84,1320 10.173,1322 6.119,1328 2.312,1329 2.63,1330 11.139,1332 0.081,1333 2.165,1334 -0.023,1340 23.928,1341 61.08,1342 137.367,1343 181.858,1344 192.612,1345 192.612,1346 192.612,1347 30.024,1348 6.87,1349 50.8,1350 50.8,1351 16,1352 12.673,1353 3,1354 2.322,1355 29.972,1356 57,1357 70,1358 0.273,1359 146.343,1360 257.89,1361 348.837,1362 7269,1364 14.328,1365 0.716,1366 0.605,1367 14.328,1368 12.103,1369 9.559,1370 0.434,1371 0.318,1372 6.878,1373 9.067,1374 6.634,1375 5.51,1376 9.559,1377 7.007,1378 8.943,1379 0.271,1380 0.17,1381 8.943,1382 5.6,1383 7.764,1384 0.165,1385 0.091,1386 7.764,1387 4.289,1388 6.903,1389 0.105,1390 0.049,1391 6.903,1392 3.254,1393 5.044,1394 0.064,1395 0.026,1396 5.044,1397 2.065,1398 0.413,1399 60.73,1400 0.265,1401 19.5,1402 0.795,1403 110,1404 321.185,1405 124.542,1406 297.714,1407 409.27,1408 280,1409 135,1410 304.962,1411 149.297,1412 304.073,1413 455.06,1414 285,1415 7.086}
{0 CHEMBL382207,1 1.444,2 11.259,3 4.852,4 23.538,5 105.389,6 6.915,7 0.4,8 4.062,9 4.178,10 3.575,11 3.588,12 5.082,13 3.56,14 4.644,15 4.818,16 3.996,17 4.022,18 5.656,19 3.977,20 4.896,21 5.081,22 4.056,23 4.206,24 5.847,25 4.127,26 5.051,27 5.29,28 3.928,29 4.196,30 5.973,31 4.075,32 4.955,33 5.202,34 3.732,35 4.007,36 5.913,37 3.87,38 4.758,39 5.044,40 3.522,41 3.698,42 5.64,43 3.584,44 4.313,45 4.503,46 3.518,47 3.538,48 5.408,49 3.497,50 4.436,51 4.635,52 3.522,53 3.571,54 5.663,55 3.518,56 0.024,57 0.739,58 11.962,59 5.188,60 8.958,61 6.899,62 0.42,63 1.227,64 23.17,65 8.782,66 37.145,67 12.034,68 0.204,69 1.546,70 29.706,71 11.549,72 31.214,73 15.752,74 0.348,75 1.685,76 36.248,77 12.85,78 49.941,79 18.129,80 0.35,81 1.438,82 33.449,83 11.906,84 55.435,85 16.58,86 0.505,87 1.114,88 28.82,89 8.956,90 49.575,91 12.786,92 0.266,93 0.838,94 17.165,95 5.596,96 26.129,97 7.647,98 0.421,99 0.889,100 19.965,101 6.181,102 57.025,103 8.417,104 27,105 45,106 0.241,107 0.57,108 0.751,109 0.826,110 0.835,111 0.835,112 3.34,113 0.946,114 -4.75,115 -4.66,116 -4.38,121 41.5,122 3,123 1,124 1,125 1,126 1,127 1,130 1,144 7,145 2,146 3,161 1,176 12,179 2,180 7,183 2,185 2,187 15,192 8,197 2,200 13,206 9,211 3,214 7,218 1,219 9,224 3,227 2,231 1,232 3,237 3,239 4,243 1,244 4,247 1,249 2,251 8,255 1,256 4,259 1,264 8,269 2,277 10,281 1065,282 17.841,283 17.841,284 17.841,285 17.841,286 17.841,287 16.326,288 27.725,289 10.103,290 18.228,291 14.757,292 14.757,293 14.757,294 14.757,295 14.757,296 12.345,297 34.881,298 4.738,299 15.376,300 4.284,301 2.323,302 1.239,303 0.788,304 0.736,305 0.736,306 4.031,311 1,312 1,313 668,314 3.808,317 112.162,318 150.531,320 90.264,321 95.25,324 133.089,325 1.824,326 21.609,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 58,338 304,339 4.809,340 3.969,341 7.956,342 4.681,343 3.705,344 4.198,345 2.186,346 15.054,347 3.62,348 4.126,349 3.675,350 6.181,351 3.791,352 2.803,353 3.691,354 1.138,355 8.774,356 2.777,357 3.955,358 2.992,359 5.943,360 3.62,361 2.665,362 3.291,363 0.643,364 8.251,365 2.538,366 3.735,367 2.761,368 5.931,369 3.46,370 2.499,371 2.989,372 0.366,373 7.84,374 2.394,375 3.557,376 2.726,377 5.528,378 3.297,379 2.352,380 2.776,382 7.278,383 2.208,384 3.33,385 2.459,386 5.268,387 3.007,388 2.064,389 2.482,391 6.529,392 1.932,393 3.098,394 2.361,395 4.624,396 2.74,397 1.771,398 2.202,400 4.89,401 1.695,402 2.52,403 1.616,404 4.198,405 2.226,406 1.239,407 1.526,409 3.026,410 1.222,411 2.5,412 1.314,413 3.771,414 2.163,415 1.206,416 1.5,418 2.912,419 1.15,420 2.451,421 1.15,422 3.701,423 2.013,424 1.061,425 1.44,427 2.634,428 1,429 2.201,430 1,431 3.648,432 2,433 1,434 1.189,436 2.275,437 0.999,438 1.69,439 0.985,440 3.414,441 1.547,442 0.625,443 0.653,445 1.636,446 0.572,447 1.273,448 0.735,449 3.03,450 0.998,451 0.075,452 0.086,454 0.204,455 0.069,456 1.191,457 0.391,458 2.965,459 0.782,460 -0.203,461 -0.26,463 -0.492,464 -0.197,465 0.704,466 -0.169,467 2.501,468 0.349,469 -0.6,470 -0.63,472 -1.548,473 -0.56,474 12.8,475 0.474,476 0.877,477 0.032,478 32.5,479 1.204,480 15,481 0.556,482 17.5,483 0.648,484 25.105,485 0.93,486 29.8,487 0.562,488 23.663,489 0.876,490 5.981,491 0.222,492 6.899,493 0.256,494 0.182,495 0.039,496 0.344,501 0.804,502 1.341,503 0.837,504 1.17,505 0.676,506 1.029,507 0.781,508 0.928,509 0.801,510 0.858,511 0.489,512 0.834,513 1.037,514 1.269,515 1.054,516 1.198,517 0.765,518 1.14,519 1.076,520 1.055,521 1.08,522 1.076,523 0.778,524 1.071,525 1.114,526 1.13,527 1.058,528 1.168,529 1.341,530 1.121,531 1.338,532 0.715,533 0.803,534 0.64,535 1.328,536 0.647,537 1.482,538 1.007,539 1.058,540 0.952,541 1.638,542 0.935,543 1.671,544 0.967,545 1.153,546 0.93,547 2.79,548 0.953,549 7,550 0.126,551 4.222,552 3.299,553 1.383,554 0.969,555 0.516,556 0.378,557 0.274,558 0.257,559 9407,560 20283,561 2.066,562 49.1,563 10,564 12,565 1,567 1,569 2,572 1.696,573 1.895,574 3.414,575 -0.382,582 76.506,583 1.444,584 3.405,585 4.488,586 4.94,587 4.992,588 4.992,589 2.876,590 4.385,591 4.727,592 3.643,593 1278.73,594 8.177,595 16607.5,597 1,600 303.58,601 1.675,602 4.66,603 0.233,604 0.006,605 0.094,606 0.072,607 0.036,608 0.033,609 0.021,610 0.015,611 0.011,612 0.012,613 0.533,614 0.33,615 1,616 0.803,617 134.865,618 -0.008,619 -0.143,620 0.071,621 -0.062,622 -0.07,623 0.005,624 0.258,625 0.186,626 0.166,627 0.172,628 0.219,629 0.156,630 -0.081,631 -0.201,632 -0.101,633 -0.163,634 -0.023,635 -0.141,636 -0.095,637 -0.056,638 -0.1,639 -0.103,640 0.032,641 -0.098,642 -0.002,643 -0.203,644 -0.06,645 -0.198,646 -0.044,647 -0.148,648 0.026,649 0.154,650 0.255,651 0.268,652 -0.017,653 0.29,654 -0.05,655 0.088,656 -0.028,658 -0.091,659 -0.009,660 -0.004,661 0.065,662 -0.091,663 0.003,664 -0.068,665 -0.044,666 2.15,667 5.304,668 0.667,669 23.786,670 0.996,671 1.125,672 3.52,673 12.394,674 0.651,675 3.434,676 3.829,677 4.143,678 4.443,679 4.635,680 4.727,681 4.875,682 4.92,683 4.905,684 4.984,685 6.791,686 0.613,687 366.5,688 3.434,689 5.017,690 5.9,691 6.819,692 7.724,693 8.65,694 9.567,695 10.499,696 11.425,697 12.362,698 3.8,704 1,705 1,715 7,720 5,722 12,736 1,737 1,741 53,743 13,744 2,745 30,747 56,748 22,749 12,750 5,751 7,756 4,757 7,763 3,764 1,766 1,767 1,770 1,772 13,773 9,774 1,777 1,782 1,786 1,793 26,794 5,795 1,796 5,802 2,808 0.5,809 3,815 1,828 2,829 2,831 1,832 1,835 1,858 1,859 2,864 4,868 27,876 2,877 1,878 2,880 2,881 1,882 1,893 5.7,896 1,897 1,898 1,901 14.25,902 10.7,903 5.736,904 3.289,907 2.196,908 1.285,909 0.956,910 4.647,911 9.901,912 3.638,913 4.22,914 4.749,915 5.292,916 5.782,917 5.966,918 6.283,919 6.484,920 6.539,921 6.777,922 1,923 46,924 10.025,926 4.319,927 0.026,929 7.627,931 19.472,933 16.534,936 2.127,937 57.417,939 1,940 1,941 294.278,942 132.223,943 21.135,945 47.145,948 132.223,949 341.422,950 21.135,951 34.872,952 25.138,953 66.334,954 36.145,955 31.252,956 18.534,957 282.506,959 294.278,960 153.358,961 47.145,964 270.735,965 59.687,966 11,968 51.613,969 101.745,972 294.278,973 68.28,974 132.223,977 294.278,978 31.017,979 104.33,980 18.011,981 47.145,982 294.278,983 68.28,984 132.223,986 0.601,987 0.359,988 0.191,989 0.098,990 24,991 11,992 0.071,993 4,994 2,995 1.222,996 3.854,997 236.542,998 0.222,999 18,1000 122.382,1005 18.33,1006 6.844,1007 3.214,1009 68.28,1010 13.649,1015 4.824,1017 18.011,1018 494.781,1019 37,1024 12.304,1028 -0.483,1031 52.789,1032 59.607,1034 0.252,1035 0.594,1036 0.784,1037 0.862,1038 0.871,1039 0.871,1040 4.934,1041 1.239,1042 5.948,1043 4.89,1044 4.511,1045 4.905,1046 2.539,1047 6.872,1048 4.436,1049 6.156,1050 1.206,1051 7.588,1052 3.026,1053 4.369,1054 4.808,1055 1.847,1056 8.22,1057 4.283,1058 7.493,1059 1.061,1060 9.346,1061 2.912,1062 6.252,1063 7.032,1064 3.585,1065 11.362,1066 6.12,1067 8.866,1068 1,1069 11.18,1070 2.634,1071 6.938,1072 7.688,1073 3.604,1074 13.624,1075 6.801,1076 10.274,1077 0.625,1078 13.068,1079 2.275,1080 8.378,1081 9.463,1082 4.933,1083 16.427,1084 8.21,1085 11.709,1086 0.075,1087 14.998,1088 1.636,1089 9.425,1090 10.468,1091 5.293,1092 19.007,1093 9.246,1094 13.166,1095 -0.203,1096 16.959,1097 0.204,1098 10.74,1099 12.058,1100 6.395,1101 21.739,1102 10.538,1103 3.705,1104 -0.6,1105 18.945,1106 -0.492,1107 11.939,1108 13.246,1109 6.931,1110 24.414,1111 11.721,1112 2.803,1113 15.054,1114 20.952,1115 -1.548,1116 13.23,1117 14.75,1118 7.904,1119 27.13,1120 12.99,1121 2.665,1122 8.774,1123 22.975,1124 4.198,1125 14.492,1126 16.041,1127 8.54,1128 29.831,1129 14.232,1130 2.499,1131 8.251,1132 25.009,1133 3.691,1134 15.785,1135 17.502,1136 9.436,1137 32.544,1138 15.503,1139 2.352,1140 7.84,1141 27.053,1142 3.291,1143 17.072,1144 18.851,1145 10.13,1146 35.252,1147 16.768,1148 2.064,1149 7.278,1150 29.105,1151 2.989,1152 18.371,1153 20.292,1154 10.982,1155 37.964,1156 18.045,1157 1.771,1158 6.529,1159 31.162,1160 2.776,1161 19.67,1162 21.674,1163 11.71,1164 40.675,1165 19.321,1166 8942,1167 13288,1168 19.592,1169 34.512,1170 46.423,1171 47.68,1172 48.383,1173 46.042,1174 46.133,1175 56.049,1176 8.666,1177 142.605,1178 44.349,1179 5.773,1180 5.969,1181 7.379,1182 5.775,1183 5.705,1184 7.198,1185 3.889,1186 23.395,1187 5.62,1188 15.105,1189 1.547,1190 1.589,1191 1.613,1192 1.535,1193 1.538,1194 1.868,1195 0.289,1196 4.753,1197 1.478,1198 4.08,1199 4.107,1200 4.029,1201 3.984,1202 7.435,1203 3.991,1204 3.947,1205 3.98,1206 3.881,1207 3.88,1208 4.869,1209 3.876,1210 3.669,1211 3.695,1212 3.589,1213 3.522,1214 4.745,1215 3.528,1216 3.536,1217 3.601,1218 3.411,1219 3.388,1220 4.595,1221 3.377,1222 3.347,1223 3.411,1224 3.229,1225 3.094,1226 4.219,1227 3.12,1228 3.242,1229 3.299,1230 3.087,1231 2.966,1232 4.128,1233 3,1234 3.107,1235 3.197,1236 2.886,1237 2.9,1238 3.906,1239 2.882,1240 2.874,1241 3.009,1242 2.687,1243 2.735,1244 3.855,1245 2.715,1246 0.16,1247 0.132,1248 0.265,1249 0.156,1250 0.123,1251 4.809,1252 0.14,1253 3.969,1254 0.073,1255 7.956,1256 0.502,1257 4.681,1258 0.121,1259 3.705,1260 4.198,1261 2.186,1262 15.054,1263 3.62,1264 1.94,1265 1.911,1266 2.069,1267 2.037,1268 1.31,1269 2.046,1270 1.901,1271 1.881,1272 2.003,1273 1.985,1274 1.252,1275 1.99,1276 1.624,1277 1.571,1278 1.83,1279 1.799,1280 1.031,1281 1.812,1282 1.541,1283 1.477,1284 1.796,1285 1.74,1286 0.909,1287 1.757,1288 1.39,1289 1.333,1290 1.659,1291 1.657,1292 0.858,1293 1.659,1294 1.194,1295 1.148,1296 1.538,1297 1.494,1298 0.631,1299 1.488,1300 1.105,1301 1.039,1302 1.417,1303 1.403,1304 0.469,1305 1.394,1306 0.934,1307 0.821,1308 1.267,1309 1.239,1310 0.365,1311 1.308,1312 4.111,1314 5.485,1315 3.045,1316 7.05,1317 5.587,1318 8.708,1319 7.84,1320 10.421,1322 8.548,1328 1.718,1329 2.793,1330 11.447,1332 0.511,1333 2.169,1334 -0.063,1340 32.509,1341 76.506,1342 180.463,1343 237.889,1344 261.805,1345 264.56,1346 264.56,1347 43.695,1348 7.705,1349 50.8,1350 50.8,1351 22,1352 12.862,1353 3.807,1354 3,1355 40.544,1356 111,1357 111,1358 0.179,1359 197.314,1360 347.81,1361 473.206,1362 23920,1364 19.181,1365 0.71,1366 0.603,1367 19.181,1368 16.282,1369 12.881,1370 0.429,1371 0.315,1372 9.336,1373 12.404,1374 8.959,1375 7.476,1376 12.881,1377 9.461,1378 12.414,1379 0.276,1380 0.177,1381 12.414,1382 7.972,1383 10.553,1384 0.17,1385 0.093,1386 10.553,1387 5.792,1388 9.048,1389 0.108,1390 0.05,1391 9.048,1392 4.169,1393 6.894,1394 0.068,1395 0.026,1396 6.894,1397 2.667,1398 0.286,1399 80.618,1400 0.226,1401 26.071,1402 0.478,1403 150,1404 395.185,1405 164.875,1406 376.619,1407 523.57,1408 354,1409 182,1410 395.525,1411 196.797,1412 400.113,1413 593.32,1414 375,1415 5.413}
{0 CHEMBL382260,1 1.389,2 17.108,3 6.525,4 42.574,5 150.209,6 6.65,7 0.512,8 4.388,9 4.521,10 3.862,11 3.94,12 5.358,13 3.892,14 4.964,15 5.155,16 4.189,17 4.354,18 5.866,19 4.27,20 5.249,21 5.495,22 4.25,23 4.487,24 6.085,25 4.373,26 5.264,27 5.51,28 4.181,29 4.473,30 6.108,31 4.344,32 5.277,33 5.538,34 4.097,35 4.446,36 6.076,37 4.297,38 5.265,39 5.529,40 3.997,41 4.418,42 6.032,43 4.251,44 5.255,45 5.535,46 3.884,47 4.348,48 6.034,49 4.159,50 5.168,51 5.468,52 3.746,53 4.22,54 5.91,55 4.023,56 0.077,57 1.075,58 17.405,59 7.246,60 10.223,61 10.138,62 0.257,63 1.77,64 32.036,65 12.488,66 25.493,67 17.817,68 0.349,69 2.205,70 43.619,71 15.842,72 40.221,73 23.214,74 0.414,75 2.243,76 44.503,77 15.663,78 45.797,79 23.094,80 0.465,81 2.2,82 45.242,83 16.202,84 46.108,85 23.813,86 0.376,87 2.122,88 44.573,89 16.522,90 41.574,91 24.033,92 0.469,93 2.037,94 44.459,95 16.358,96 50.887,97 23.927,98 0.423,99 1.818,100 40.982,101 15.106,102 49.232,103 22.094,104 6,105 55,106 0.214,107 0.531,108 0.732,109 0.868,110 0.899,111 0.899,112 3.641,113 1.008,114 -4.49,115 -4.41,116 -4.16,121 41.3,123 10,126 1,127 2,144 7,145 4,146 2,148 2,153 1,154 1,160 1,176 16,180 7,183 1,185 8,187 16,192 7,197 8,200 12,206 5,209 1,211 7,214 12,219 3,222 1,223 1,224 5,227 15,232 3,237 3,239 17,244 2,247 2,249 2,251 16,256 2,259 1,260 1,261 1,264 15,268 1,269 3,274 1,277 13,281 2708,282 25.836,283 25.836,284 25.836,285 25.836,286 25.836,287 23.264,288 24.373,289 15.727,290 26.217,291 20.245,292 20.245,293 20.245,294 20.245,295 20.245,296 16.13,297 23.035,298 7.442,299 20.744,300 4.84,301 2.777,302 1.469,303 0.59,304 0.383,305 0.383,306 4.354,312 1,313 1405,314 4.301,317 96.405,318 408.063,321 177.354,322 334.442,325 2.58,326 24.584,329 1,330 0.67,331 0.83,332 0.8,333 0.5,334 0.83,335 0.5,336 0.73,337 78,338 633,339 4.64,340 3.575,341 6.829,342 4.207,343 3.226,344 4.564,345 1.907,346 11.348,347 3.162,348 4.55,349 3.361,350 6.546,351 4.076,352 3.091,353 4.504,354 0.86,355 10.359,356 3.043,357 3.914,358 3.182,359 5.982,360 3.524,361 2.532,362 3.437,363 0.4,364 8.37,365 2.512,366 3.707,367 2.721,368 5.381,369 3.396,370 2.398,371 3.121,372 0.149,373 6.732,374 2.39,375 3.653,376 2.669,377 5.292,378 3.293,379 2.338,380 2.893,382 6.711,383 2.222,384 3.522,385 2.356,386 5.101,387 3.135,388 2.181,389 2.831,391 6.118,392 2.078,393 3.34,394 2.162,395 5.023,396 2.931,397 1.96,398 2.667,400 5.872,401 1.894,402 2.94,403 1.877,404 4.158,405 2.781,406 1.789,407 2.142,409 3.718,410 1.774,411 2.827,412 1.648,413 4.116,414 2.516,415 1.528,416 1.852,418 3.525,419 1.508,420 2.743,421 1.519,422 3.975,423 2.364,424 1.388,425 1.83,427 3.329,428 1.352,429 2.604,430 1.48,431 3.779,432 2.345,433 1.347,434 1.634,436 3.306,437 1.343,438 2.49,439 1.418,440 3.594,441 2.27,442 1.289,443 1.489,445 2.902,446 1.262,447 2.407,448 1.35,449 3.588,450 2.242,451 1.247,452 1.4,454 2.887,455 1.24,456 2.325,457 1.31,458 3.448,459 2.05,460 1.092,461 1.281,463 2.439,464 1.042,465 2.069,466 1.101,467 3.283,468 1.848,469 0.868,470 0.99,472 1.981,473 0.847,474 17.767,475 0.48,476 0.619,477 0.017,478 43.75,479 1.182,480 20.5,481 0.554,482 23.25,483 0.628,484 37.439,485 1.012,486 40.433,487 0.539,488 31.03,489 0.839,490 7.984,491 0.216,492 10.241,493 0.277,494 0.047,496 0.281,501 0.85,502 1.261,503 0.907,504 1.103,505 0.605,506 1.019,507 0.93,508 1.189,509 0.985,510 1.087,511 0.634,512 1.049,513 1.011,514 1.058,515 0.934,516 0.956,517 0.984,518 0.937,519 1.127,520 1.096,521 1.106,522 1.056,523 1.198,524 1.068,525 1,526 0.994,527 1.074,528 1.026,529 1.114,530 1.048,531 1.025,532 1.037,533 1.095,534 1.077,535 0.986,536 1.091,537 0.881,538 0.996,539 1.057,540 1.064,541 1.13,542 1.079,543 0.821,544 0.85,545 0.924,546 0.925,547 1.138,548 0.938,549 5,550 0.135,551 3.556,552 2.167,553 1.773,554 0.806,555 0.539,556 0.318,557 0.208,558 0.163,559 28202,560 59692,561 2.15,562 50.7,563 12,564 14,565 1,567 3,568 4,569 4,572 1.771,573 2.075,574 3.951,575 0.702,582 104.16,583 1.389,584 3.452,585 4.76,586 5.639,587 5.845,588 5.845,589 3.29,590 4.723,591 5.19,592 4.244,593 2826.83,594 9.065,595 52855.3,600 467.161,601 1.12,602 5.168,603 0.122,604 0.005,605 0.065,606 0.038,607 0.035,608 0.018,609 0.013,610 0.009,611 0.007,612 0.005,613 0.316,614 0.17,615 0.63,616 0.509,617 212.358,618 -0.021,619 -0.042,620 0.055,621 0.011,622 0.028,623 0.038,624 0.013,625 -0.076,626 -0.009,627 -0.033,628 0.067,629 -0.027,630 -0.046,631 -0.028,632 0.053,633 0.039,634 -0.021,635 0.053,636 -0.096,637 -0.047,638 -0.111,639 -0.078,640 -0.117,641 -0.093,642 -0.023,643 0.017,644 -0.086,645 -0.051,646 -0.078,647 -0.07,648 -0.092,649 -0.062,650 -0.116,651 -0.087,652 -0.055,653 -0.101,654 0.045,655 -0.054,656 -0.077,657 -0.087,658 0.001,659 -0.094,660 0.069,661 0.053,662 0.054,663 0.042,664 0.038,665 0.045,666 1.523,667 5.313,668 0.622,669 44.346,670 0.988,671 1.126,672 3.257,673 10.61,674 0.652,675 3.738,676 4.025,677 4.317,678 4.595,679 4.836,680 4.905,681 5.004,682 5.075,683 5.069,684 4.934,685 10.405,686 0.606,687 498.73,688 3.738,689 5.263,690 6.111,691 6.98,692 7.85,693 8.731,694 9.611,695 10.498,696 11.385,697 12.275,698 5.3,703 1,705 1,706 1,708 1,714 4,715 8,716 1,717 1,720 5,722 21,734 1,739 1,741 75,743 22,744 2,745 41,747 79,748 31,749 17,750 5,751 7,756 5,757 9,767 4,770 10,772 18,773 13,777 1,782 1,786 1,793 38,794 5,795 3,796 6,802 4,808 0.4,809 2,822 1,824 1,828 1,829 4,832 1,833 2,843 1,859 2,864 1,868 37,876 12,877 2,878 1,893 2.7,896 1,898 1,901 17.833,902 13.45,903 8.333,904 5.024,907 4.157,908 1.492,909 1.004,910 8.754,911 12.613,912 3.98,913 4.572,914 5.199,915 5.824,916 6.386,917 6.711,918 7.07,919 7.394,920 7.507,921 7.342,922 0.909,923 57,924 13.752,926 5.775,927 0.026,929 7.491,931 27.295,933 22.893,936 1.991,937 73.667,941 411.989,942 147.088,943 69.593,945 36.145,948 147.088,949 448.133,950 69.593,951 10.883,952 47.567,953 75.381,954 64.646,955 52.204,956 13.915,957 400.217,959 411.989,960 216.68,961 36.145,964 364.904,965 83.229,968 69.254,969 112.63,970 34.796,972 411.989,973 105.737,974 147.088,977 411.989,978 60.824,979 86.264,980 52.807,981 52.93,982 411.989,983 105.737,984 147.088,986 0.564,987 0.333,988 0.187,989 0.105,990 25,991 10,992 0.152,993 12,994 3,995 1.261,996 5.052,997 335.987,998 0.261,999 23,1000 190.75,1005 25.753,1006 12.576,1007 6.34,1008 4.587,1009 88.952,1010 16.537,1011 4.933,1012 3.294,1015 6.051,1017 52.807,1018 664.814,1019 52.5,1024 12.313,1028 0.144,1031 74.083,1032 84.47,1034 0.223,1035 0.554,1036 0.764,1037 0.905,1038 0.938,1039 0.938,1040 5.2,1041 1.789,1042 6.061,1043 5.872,1044 4.71,1045 5.26,1046 2.18,1047 6.853,1048 4.665,1049 6.382,1050 1.528,1051 7.598,1052 3.718,1053 4.111,1054 5.085,1055 1.593,1056 7.735,1057 4.058,1058 7.683,1059 1.388,1060 9.243,1061 3.525,1062 6.267,1063 7.517,1064 2.965,1065 10.878,1066 6.184,1067 9.029,1068 1.347,1069 10.957,1070 3.329,1071 6.581,1072 8.266,1073 3.032,1074 12.669,1075 6.486,1076 10.416,1077 1.289,1078 12.717,1079 3.306,1080 8.131,1081 10.14,1082 4.052,1083 15.316,1084 8.015,1085 11.832,1086 1.247,1087 14.51,1088 2.902,1089 8.889,1090 11.309,1091 4.409,1092 17.469,1093 8.758,1094 13.27,1095 1.092,1096 16.327,1097 2.887,1098 10.192,1099 12.966,1100 5.254,1101 19.956,1102 10.042,1103 3.226,1104 0.868,1105 18.161,1106 2.439,1107 11.165,1108 14.326,1109 5.75,1110 22.256,1111 10.998,1112 3.091,1113 11.348,1114 20.009,1115 1.981,1116 12.368,1117 15.896,1118 6.502,1119 24.69,1120 12.184,1121 2.532,1122 10.359,1123 21.868,1124 4.564,1125 13.441,1126 17.341,1127 7.068,1128 27.051,1129 13.238,1130 2.398,1131 8.37,1132 23.735,1133 4.504,1134 14.609,1135 18.876,1136 7.771,1137 29.468,1138 14.388,1139 2.338,1140 6.732,1141 25.609,1142 3.437,1143 15.727,1144 20.358,1145 8.374,1146 31.856,1147 15.486,1148 2.181,1149 6.711,1150 27.489,1151 3.121,1152 16.884,1153 21.879,1154 9.051,1155 34.268,1156 16.625,1157 1.96,1158 6.118,1159 29.373,1160 2.893,1161 18.022,1162 23.378,1163 9.674,1164 36.669,1165 17.743,1166 25884,1167 37821,1168 28.315,1169 48.876,1170 59.8,1171 61.4,1172 61.396,1173 59.744,1174 59.843,1175 77.141,1176 6.632,1177 165.999,1178 58.424,1179 5.61,1180 5.575,1181 6.692,1182 5.247,1183 5.226,1184 7.564,1185 3.306,1186 18.879,1187 5.162,1188 12.318,1189 1.459,1190 1.498,1191 1.497,1192 1.457,1193 1.46,1194 1.881,1195 0.162,1196 4.049,1197 1.425,1198 4.144,1199 4.176,1200 4.1,1201 4.061,1202 7.429,1203 4.066,1204 4.099,1205 4.129,1206 4.06,1207 4.023,1208 5.007,1209 4.029,1210 3.789,1211 3.847,1212 3.661,1213 3.657,1214 4.964,1215 3.645,1216 3.732,1217 3.781,1218 3.616,1219 3.641,1220 4.624,1221 3.628,1222 3.631,1223 3.696,1224 3.499,1225 3.458,1226 4.413,1227 3.46,1228 3.513,1229 3.565,1230 3.408,1231 3.357,1232 4.261,1233 3.357,1234 3.389,1235 3.461,1236 3.243,1237 3.184,1238 4.163,1239 3.19,1240 3.27,1241 3.334,1242 3.124,1243 3.111,1244 4.047,1245 3.107,1246 0.113,1247 0.087,1248 0.167,1249 0.103,1250 0.079,1251 4.64,1252 0.111,1253 3.575,1254 0.047,1255 6.829,1256 0.277,1257 4.207,1258 0.077,1259 3.226,1260 4.564,1261 1.907,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.436,1269 2.163,1270 1.935,1271 1.917,1272 2.027,1273 2.024,1274 1.369,1275 2.024,1276 1.779,1277 1.722,1278 2.012,1279 1.954,1280 1.236,1281 1.975,1282 1.754,1283 1.708,1284 1.949,1285 1.873,1286 1.154,1287 1.902,1288 1.66,1289 1.602,1290 1.861,1291 1.857,1292 1.078,1293 1.865,1294 1.529,1295 1.467,1296 1.771,1297 1.734,1298 1.024,1299 1.746,1300 1.329,1301 1.262,1302 1.582,1303 1.598,1304 0.761,1305 1.595,1306 1.26,1307 1.198,1308 1.537,1309 1.516,1310 0.7,1311 1.527,1312 4.419,1314 5.714,1315 2.398,1316 7.212,1317 4.727,1318 8.814,1319 6.823,1320 10.479,1322 1.68,1328 11.96,1329 6.828,1330 5.34,1340 45.471,1341 104.16,1342 258.863,1343 356.981,1344 422.897,1345 438.407,1346 438.407,1347 61.394,1348 8.456,1349 79.04,1350 79.04,1351 29,1352 12.805,1353 4.524,1354 3.644,1355 57.531,1356 242,1357 199,1358 0.112,1359 277.062,1360 474.64,1361 667.791,1362 82971,1364 25.451,1365 0.688,1366 0.591,1367 25.451,1368 21.868,1369 18.225,1370 0.445,1371 0.336,1372 13.649,1373 17.73,1374 13.357,1375 11.081,1376 18.225,1377 13.778,1378 15.546,1379 0.283,1380 0.183,1381 15.546,1382 10.053,1383 13.395,1384 0.181,1385 0.101,1386 13.395,1387 7.493,1388 11.262,1389 0.115,1390 0.056,1391 11.262,1392 5.468,1393 9.321,1394 0.075,1395 0.032,1396 9.321,1397 3.945,1398 0.188,1399 112.811,1400 0.188,1401 35.099,1402 0.275,1403 192,1404 460.115,1405 204.309,1406 449.578,1407 629.71,1408 426,1409 225,1410 470.351,1411 237.146,1412 478.839,1413 700.9,1414 454,1415 9.187}
{0 CHEMBL382351,1 1.514,2 7.75,3 2.35,4 5.524,5 78.396,6 6.717,7 0.273,8 3.811,9 3.945,10 3.3,11 3.266,12 4.816,13 3.246,14 4.409,15 4.62,16 3.729,17 3.718,18 5.388,19 3.681,20 4.633,21 4.819,22 3.818,23 3.946,24 5.555,25 3.871,26 4.866,27 5.121,28 3.687,29 3.998,30 5.726,31 3.871,32 4.763,33 5.016,34 3.449,35 3.87,36 5.622,37 3.691,38 4.702,39 5.028,40 3.158,41 3.561,42 5.427,43 3.364,44 4.18,45 4.441,46 3.031,47 3.147,48 5.135,49 3.041,50 3.974,51 4.207,52 2.834,53 2.9,54 5.134,55 2.842,56 0.016,57 0.61,58 9.777,59 3.564,60 7.208,61 5.272,62 0.409,63 0.992,64 19.073,65 5.869,66 31.708,67 8.999,68 0.14,69 1.233,70 23.144,71 8.368,72 23.071,73 12.233,74 0.385,75 1.359,76 30.467,77 9.499,78 41.884,79 14.547,80 0.212,81 1.182,82 26.912,83 9.705,84 33.769,85 14.401,86 0.382,87 0.907,88 26.666,89 8.094,90 39.734,91 12.487,92 0.242,93 0.597,94 15.636,95 4.565,96 23.857,97 6.893,98 0.339,99 0.486,100 13.163,101 2.863,102 35.661,103 4.506,104 29,105 34,106 0.273,107 0.597,108 0.78,109 0.863,110 0.863,111 0.863,112 3.06,113 0.947,114 -3.1,115 -3.1,116 -2.98,121 36.6,122 1,123 1,125 1,126 3,127 1,130 1,144 3,145 1,146 2,161 1,176 5,179 2,180 7,183 2,187 6,192 8,200 5,206 5,211 2,214 3,218 1,219 5,224 2,227 2,231 1,232 1,237 1,243 1,244 2,247 1,249 2,255 1,259 1,281 440,282 13.126,283 13.126,284 13.126,285 13.126,286 13.126,287 12.31,288 21.635,289 7.283,290 13.514,291 10.727,292 10.727,293 10.727,294 10.727,295 10.727,296 9.338,297 28.989,298 3.333,299 11.293,300 3.844,301 2.043,302 1.025,303 0.561,304 0.561,305 0.561,306 3.727,310 1,311 1,312 1,313 330,314 3.317,317 66.943,318 39.192,320 54.145,321 59.02,324 81.997,325 1.2,326 14.981,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 43.5,338 155,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 3.981,349 3.658,350 6.211,351 3.638,352 2.687,353 3.318,354 0.966,355 8.828,356 2.558,357 3.674,358 2.82,359 6.169,360 3.396,361 2.456,362 2.879,363 0.693,364 8.458,365 2.29,366 3.471,367 2.742,368 5.444,369 3.295,370 2.362,371 2.592,372 0.366,373 7.152,374 2.188,375 3.297,376 2.505,377 4.838,378 2.95,379 1.988,380 2.419,382 5.281,383 1.895,384 2.616,385 1.746,386 4.67,387 2.42,388 1.476,389 1.63,391 4.351,392 1.388,393 2.518,394 1.171,395 4.214,396 2.128,397 1.134,398 1.523,400 3.06,401 1.126,402 1.787,403 1.106,404 3.723,405 1.698,406 0.735,407 0.765,409 1.826,410 0.705,411 1.507,412 0.915,413 3.088,414 1.304,415 0.39,416 0.414,418 0.594,419 0.352,420 1.224,421 0.653,422 2.931,423 0.834,424 -0.136,425 -0.165,427 -0.306,428 -0.13,429 0.762,430 -0.015,431 2.582,432 0.638,433 -0.304,434 -0.319,436 -0.747,437 -0.285,438 0.665,439 -0.171,440 2.427,441 0.308,442 -0.679,443 -0.834,445 -1.876,446 -0.662,447 0.524,448 -0.587,449 2.277,450 0.083,451 -0.908,452 -1,454 -2.679,455 -0.893,457 -0.792,458 2.139,459 -0.049,460 -1,461 -1.234,463 -2.804,464 -0.946,465 -0.169,466 -0.875,467 1.891,468 -0.397,469 -1.363,470 -1.524,472 -3.083,473 -1.31,474 9.367,475 0.468,476 0.703,477 0.035,478 22.25,479 1.113,480 8.5,481 0.425,482 13.75,483 0.688,484 18.124,485 0.906,486 23.033,487 0.562,488 15.515,489 0.776,490 4.311,491 0.216,492 5.158,493 0.258,494 0.249,495 0.053,496 0.352,501 0.824,502 1.668,503 0.864,504 1.326,505 0.62,506 1.126,507 0.754,508 0.752,509 0.782,510 0.669,511 0.394,512 0.696,513 0.943,514 1.408,515 1.045,516 1.298,517 0.67,518 1.207,519 1.121,520 0.926,521 1.134,522 0.971,523 0.868,524 1.033,525 0.644,526 1.282,527 1.12,528 1.415,529 0.779,530 1.36,531 0.871,532 0.709,533 0.737,534 0.748,535 0.737,536 0.738,537 1.197,538 1.068,539 0.921,540 1.041,541 1.211,542 0.97,543 2.297,544 0.873,545 1.406,546 0.821,547 3.215,548 0.961,549 5.5,551 3.556,552 3.146,553 1.246,554 0.646,555 0.471,556 0.297,557 0.168,558 0.045,559 3227,560 7706,561 2.007,562 51.2,563 3,564 14,565 1,567 1,569 2,572 1.622,573 1.805,574 2.896,575 -0.271,577 1,579 1,582 62.063,583 1.514,584 3.315,585 4.332,586 4.796,587 4.796,588 4.796,589 2.423,590 4.022,591 4.289,592 3.025,593 574.662,594 7.351,595 5586.97,596 1,597 1,599 1,600 219.66,601 1.776,602 4.203,603 0.25,605 0.105,606 0.087,607 0.042,608 0.031,609 0.029,610 0.021,611 0.015,612 0.009,613 0.589,614 0.83,615 1,616 1.364,617 86.168,618 -0.017,619 -0.349,620 0.079,621 -0.148,622 -0.045,623 -0.039,624 0.242,625 0.439,626 0.21,627 0.346,628 0.24,629 0.293,630 -0.084,631 -0.253,632 -0.101,633 -0.18,634 0.009,635 -0.151,636 -0.186,637 0.099,638 -0.165,639 0.012,640 -0.049,641 -0.056,642 0.047,643 -0.304,644 -0.2,645 -0.369,646 -0.042,647 -0.331,648 0.079,649 0.052,650 0.239,651 0.158,652 0.013,653 0.213,654 0.091,655 -0.18,656 0.096,657 -0.106,658 0.036,659 -0.028,660 -0.287,661 0.092,662 -0.282,663 0.004,664 -0.337,665 -0.127,666 2.096,667 4.353,668 0.6,669 13.5,670 0.998,671 1.138,672 1.869,673 3.493,674 0.629,675 3.135,676 3.555,677 3.912,678 4.263,679 4.466,680 4.564,681 4.754,682 4.804,683 4.71,684 4.615,685 4.564,686 0.591,687 275.39,688 3.135,689 4.727,690 5.631,691 6.578,692 7.509,693 8.466,694 9.411,695 10.372,696 11.325,697 12.289,698 7.3,701 1,704 1,705 1,715 3,720 3,722 6,736 1,737 1,741 41,743 7,744 1,745 22,747 43,748 15,749 6,750 3,751 3,756 3,757 6,763 1,764 1,766 1,767 1,770 1,772 7,773 8,777 1,782 1,786 1,789 1,790 1,793 21,794 5,795 1,796 5,802 3,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 4,868 20,876 2,877 1,878 1,880 1,881 2,882 1,893 4.9,896 1,898 1,901 11.083,902 8.567,903 4.319,904 2.399,907 1.322,908 1.191,909 0.934,910 3.179,911 8.23,912 3.296,913 3.861,914 4.385,915 4.93,916 5.417,917 5.674,918 6.04,919 6.273,920 6.285,921 6.221,922 1,923 36,924 7.403,926 3.149,927 0.026,929 7.663,931 14.401,933 12.196,936 2.163,937 43.25,938 0.001,941 235.422,942 85.032,943 24.259,945 36.145,948 85.032,949 271.567,950 24.259,951 34.014,952 22.651,953 28.429,954 25.145,955 28.434,956 18.534,957 223.651,959 235.422,960 109.291,961 36.145,964 211.88,965 59.687,968 34.601,969 74.69,972 235.422,973 60.404,974 85.032,977 235.422,978 22.588,979 68.692,980 18.011,981 36.145,982 235.422,983 60.404,984 85.032,986 0.603,987 0.374,988 0.203,989 0.107,990 19,991 9,992 0.047,993 2,994 2,995 1.333,996 3.052,997 161.667,998 0.333,999 12,1000 86.439,1005 13.711,1006 4.638,1007 1.935,1009 60.404,1010 5.917,1015 3.108,1017 18.011,1018 380.858,1019 26,1024 11.353,1028 -0.429,1031 40.912,1032 46.651,1034 0.283,1035 0.619,1036 0.809,1037 0.895,1038 0.895,1039 0.895,1040 4.62,1041 0.735,1042 5.707,1043 3.06,1044 4.234,1045 4.543,1046 2.466,1047 6.693,1048 4.142,1049 5.85,1050 0.39,1051 7.388,1052 1.826,1053 4.205,1054 4.559,1055 1.905,1056 8.162,1057 4.094,1058 7.208,1059 -0.136,1060 9.187,1061 0.594,1062 6.043,1063 6.66,1064 3.531,1065 11.337,1066 5.888,1067 8.603,1068 -0.304,1069 11.06,1070 -0.306,1071 6.825,1072 7.43,1073 3.612,1074 13.665,1075 6.668,1076 10.036,1077 -0.679,1078 12.984,1079 -0.747,1080 8.256,1081 9.119,1082 4.913,1083 16.498,1084 8.071,1085 11.496,1086 -0.908,1087 14.946,1088 -1.876,1089 9.371,1090 10.225,1091 5.293,1092 19.111,1093 9.183,1094 12.977,1095 -1,1096 16.935,1097 -2.679,1098 10.699,1099 11.768,1100 6.388,1101 21.864,1102 10.491,1103 3.737,1104 -1.363,1105 18.946,1106 -2.804,1107 11.942,1108 13.036,1109 6.931,1110 24.559,1111 11.723,1112 2.687,1113 15.306,1114 20.973,1115 -3.083,1116 13.251,1117 14.519,1118 7.902,1119 27.294,1120 13.015,1121 2.456,1122 8.828,1123 23.013,1124 4.206,1125 14.54,1126 15.868,1127 8.539,1128 30.013,1129 14.288,1130 2.362,1131 8.458,1132 25.062,1133 3.318,1134 15.85,1135 17.326,1136 9.436,1137 32.743,1138 15.58,1139 1.988,1140 7.152,1141 27.119,1142 2.879,1143 17.157,1144 18.716,1145 10.13,1146 35.468,1147 16.867,1148 1.476,1149 5.281,1150 29.181,1151 2.592,1152 18.47,1153 20.161,1154 10.981,1155 38.197,1156 18.161,1157 1.134,1158 4.351,1159 31.247,1160 2.419,1161 19.783,1162 21.573,1163 11.71,1164 40.924,1165 19.454,1166 3288,1167 5165,1168 13.929,1169 25.779,1170 34.178,1171 35.306,1172 37.092,1173 33.903,1174 33.929,1175 39.492,1176 8.422,1177 109.713,1178 32.32,1179 5.797,1180 5.973,1181 7.557,1182 5.778,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 11.799,1189 1.554,1190 1.605,1191 1.686,1192 1.541,1193 1.542,1194 1.795,1195 0.383,1196 4.987,1197 1.469,1198 4.089,1199 4.128,1200 4.037,1201 3.994,1202 7.435,1203 3.999,1204 3.71,1205 3.751,1206 3.631,1207 3.564,1208 4.834,1209 3.569,1210 3.517,1211 3.584,1212 3.422,1213 3.21,1214 4.454,1215 3.255,1216 3.291,1217 3.388,1218 3.117,1219 3.061,1220 4.224,1221 3.06,1222 3.243,1223 3.339,1224 3.041,1225 3.035,1226 4.05,1227 3.024,1228 2.976,1229 3.093,1230 2.77,1231 2.762,1232 3.897,1233 2.729,1234 2.969,1235 3.014,1236 2.679,1237 2.697,1238 3.815,1239 2.698,1240 2.775,1241 2.849,1242 2.583,1243 2.611,1244 3.497,1245 2.599,1246 0.22,1247 0.181,1248 0.364,1249 0.214,1250 0.17,1251 4.832,1252 0.191,1253 3.973,1254 0.099,1255 8.006,1256 0.696,1257 4.714,1258 0.166,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.903,1265 1.884,1266 2.004,1267 1.995,1268 1.31,1269 1.995,1270 1.633,1271 1.578,1272 1.833,1273 1.836,1274 1.058,1275 1.837,1276 1.535,1277 1.455,1278 1.788,1279 1.772,1280 1.013,1281 1.781,1282 1.4,1283 1.327,1284 1.69,1285 1.717,1286 0.683,1287 1.712,1288 1.22,1289 1.124,1290 1.577,1291 1.488,1292 0.642,1293 1.522,1294 1.014,1295 0.899,1296 1.453,1297 1.291,1298 0.563,1299 1.354,1300 0.878,1301 0.833,1302 1.177,1303 1.209,1304 0.347,1305 1.176,1306 0.797,1307 0.727,1308 1.077,1309 1.041,1310 0.15,1311 1.091,1312 3.807,1314 5.198,1315 3.045,1316 6.792,1317 5.638,1318 8.486,1319 7.921,1320 10.242,1322 8.163,1328 2.209,1329 2.473,1330 5.262,1332 0.382,1333 4.714,1334 0.098,1340 24.235,1341 62.063,1342 135.908,1343 177.621,1344 196.64,1345 196.64,1346 196.64,1347 28.295,1348 6.908,1349 44.81,1350 44.81,1351 16,1352 12.771,1353 3,1354 2.322,1355 29.875,1356 54,1357 64,1358 0.29,1359 149.141,1360 260.1,1361 355.664,1362 7381,1364 14.491,1365 0.725,1366 0.622,1367 14.491,1368 12.435,1369 9.469,1370 0.43,1371 0.316,1372 6.811,1373 8.995,1374 6.493,1375 5.434,1376 9.469,1377 6.943,1378 9.105,1379 0.268,1380 0.175,1381 9.105,1382 5.951,1383 8.047,1384 0.164,1385 0.096,1386 8.047,1387 4.716,1388 6.971,1389 0.1,1390 0.054,1391 6.971,1392 3.777,1393 5.42,1394 0.063,1395 0.029,1396 5.42,1397 2.527,1398 0.431,1399 60.049,1400 0.268,1401 19.279,1402 0.867,1403 112,1404 299.094,1405 124.692,1406 284.125,1407 392.55,1408 266,1409 139,1410 296.247,1411 151.976,1412 300.356,1413 445.67,1414 279,1415 5.005}
{0 CHEMBL382423,1 1.21,2 15.75,3 6.371,4 40.587,5 154.718,6 5.937,7 0.275,8 4.455,9 4.605,10 3.831,11 4.013,12 5.303,13 3.935,14 5.072,15 5.283,16 4.199,17 4.468,18 5.824,19 4.352,20 5.429,21 5.69,22 4.324,23 4.673,24 6.147,25 4.525,26 5.529,27 5.811,28 4.28,29 4.692,30 6.228,31 4.518,32 5.535,33 5.824,34 4.081,35 4.657,36 6.201,37 4.449,38 5.528,39 5.854,40 3.917,41 4.568,42 6.072,43 4.326,44 5.358,45 5.671,46 3.765,47 4.429,48 5.925,49 4.19,50 5.273,51 5.599,52 3.65,53 4.318,54 5.802,55 4.071,56 0.112,57 1.181,58 20.633,59 8.342,60 12.481,61 12.296,62 0.208,63 2.006,64 37.13,65 14.669,66 20.766,67 21.829,68 0.345,69 2.667,70 52.034,71 19.188,72 36.519,73 29.273,74 0.442,75 2.837,76 56.881,77 20.724,78 46.604,79 31.635,80 0.414,81 2.774,82 56.742,83 20.642,84 44.9,85 31.595,86 0.332,87 2.552,88 54.308,89 21.37,90 35.366,91 31.838,92 0.292,93 2.198,94 46.241,95 18.069,96 30.421,97 26.97,98 0.273,99 1.969,100 41.953,101 16.868,102 26.691,103 24.873,104 11,105 56,106 0.185,107 0.489,108 0.716,109 0.857,110 0.89,111 0.897,112 3.615,113 1.093,114 -5.79,115 -5.65,116 -5.26,121 39,122 2,123 12,124 1,127 2,129 1,132 1,137 2,138 2,144 4,145 2,146 1,148 2,165 1,166 1,167 1,176 20,180 4,185 9,187 25,189 3,192 4,197 8,200 19,203 3,206 2,209 1,210 1,211 13,213 1,214 21,216 4,224 6,227 17,232 1,237 5,239 21,241 1,244 1,249 1,251 20,253 1,256 1,260 1,261 1,264 20,266 1,269 1,274 1,277 16,279 1,281 2336,282 24.791,283 24.791,284 24.791,285 24.791,286 24.791,287 22.835,288 30.332,289 14.941,290 24.987,291 19.771,292 19.771,293 19.771,294 19.771,295 19.771,296 16.96,297 43.256,298 7.065,299 20.104,300 5.147,301 3.157,302 1.669,303 0.744,304 0.531,305 0.482,306 4.326,312 1,313 1257,314 4.183,318 497.472,320 147.897,322 315.456,325 2.208,326 18.644,329 0.75,330 0.5,331 0.83,332 1,333 1,334 1,335 1,336 0.87,337 74,338 567,339 4.64,340 3.886,341 7.58,342 4.52,343 3.534,344 4.564,345 1.039,346 13.718,347 3.484,348 4.636,349 3.361,350 6.829,351 4.207,352 3.226,353 3.823,354 0.68,355 11.348,356 3.162,357 3.914,358 2.743,359 5.982,360 3.524,361 2.532,362 3.437,363 0.4,364 8.37,365 2.512,366 3.645,367 2.669,368 5.798,369 3.403,370 2.422,371 2.893,372 0.4,373 7.886,374 2.38,375 3.522,376 2.62,377 5.381,378 3.292,379 2.315,380 2.855,381 0.341,382 6.858,383 2.259,384 3.409,385 2.496,386 5.363,387 3.136,388 2.182,389 2.444,391 6.711,392 2.089,393 3.363,394 2.356,395 5.105,396 3.096,397 2.1,398 2.389,400 5.994,401 2.079,402 2.941,403 1.906,404 4.116,405 2.86,406 1.865,407 2.142,409 3.815,410 1.855,411 2.882,412 1.718,413 3.991,414 2.552,415 1.573,416 1.888,418 3.42,419 1.538,420 2.643,421 1.553,422 3.946,423 2.497,424 1.506,425 1.67,427 3.329,428 1.492,429 2.548,430 1.452,431 3.814,432 2.345,433 1.347,434 1.548,436 3.145,437 1.343,438 2.486,439 1.41,440 3.621,441 2.242,442 1.247,443 1.484,445 2.902,446 1.24,447 2.339,448 1.35,449 3.594,450 2.149,451 1.18,452 1.267,454 2.633,455 1.141,456 2.142,457 1.249,458 3.473,459 1.98,460 0.992,461 1.103,463 2.25,464 0.978,465 1.885,466 0.913,467 3.399,468 1.752,469 0.771,470 0.835,472 1.722,473 0.755,474 17.6,475 0.489,476 0.773,477 0.021,478 34.25,479 0.951,480 12.5,481 0.347,482 21.75,483 0.604,484 47.036,485 1.307,486 40.6,487 0.495,488 21.081,489 0.586,490 5.356,491 0.149,492 12.214,493 0.339,494 0.08,495 0.028,496 0.256,501 1.161,502 1.242,503 1.065,504 1.128,505 1.228,506 1.097,507 1.012,508 1.247,509 1.039,510 1.139,511 0.816,512 1.099,513 1.249,514 1.135,515 1.032,516 1.037,517 1.175,518 1.023,519 1.188,520 1.083,521 1.037,522 1.029,523 1.013,524 1.024,525 1.493,526 1.054,527 1.215,528 1.089,529 1.489,530 1.126,531 0.804,532 0.885,533 0.918,534 0.925,535 0.741,536 0.928,537 0.971,538 0.948,539 1.041,540 1.012,541 0.912,542 1.028,543 0.688,544 0.853,545 0.919,546 0.933,547 0.738,548 0.939,549 6.5,550 0.12,551 3.778,552 3.063,553 2.227,554 0.917,555 0.462,556 0.28,557 0.213,558 0.168,559 25076,560 41155,561 2.13,562 56.1,563 19,564 11,567 4,568 2,569 8,570 2,572 1.764,573 2.028,574 3.814,575 1.357,582 99.235,583 1.21,584 3.2,585 4.689,586 5.613,587 5.827,588 5.876,589 3.103,590 4.406,591 5.153,592 4.115,593 2592.24,594 8.986,595 46726.6,600 521.319,601 1.355,602 5.112,603 0.162,604 0.005,605 0.067,606 0.05,607 0.04,608 0.021,609 0.012,610 0.009,611 0.008,612 0.006,613 0.381,615 0.63,616 0.586,617 203.539,618 -0.032,619 0.045,620 0.054,621 0.066,622 -0.083,623 0.066,624 0.028,625 -0.091,626 0.022,627 -0.031,628 0.087,629 -0.009,630 -0.024,631 -0.059,632 0.004,633 -0.019,634 -0.013,635 -0.008,636 0.058,637 -0.049,638 -0.018,639 -0.047,640 0.127,641 -0.039,642 -0.229,643 -0.032,644 -0.203,645 -0.12,646 -0.245,647 -0.153,649 0.023,650 0.028,651 0.031,652 0.002,653 0.032,654 -0.088,655 -0.008,656 -0.078,657 -0.044,658 -0.107,659 -0.058,660 0.055,661 0.05,662 0.023,663 0.029,664 0.003,665 0.025,666 1.374,667 2.886,668 0.639,669 38,670 0.975,671 1.131,672 4.558,673 20.774,674 0.634,675 3.714,676 4.043,677 4.344,678 4.673,679 4.913,680 5.017,681 5.056,682 5.124,683 5.075,684 4.949,685 9.798,686 0.575,687 486.82,688 3.714,689 5.263,690 6.125,691 7.024,692 7.907,693 8.818,694 9.71,695 10.627,696 11.523,697 12.444,698 4.9,699 1,700 1,703 1,708 1,714 2,715 4,716 1,720 3,722 11,734 1,741 82,743 13,744 1,745 40,747 86,748 32,749 9,750 2,751 4,756 5,757 9,763 2,767 8,768 2,770 13,772 13,773 19,774 2,777 2,784 2,786 2,793 46,794 4,795 4,796 4,802 4,808 0.4,822 1,829 5,831 1,833 2,849 2,850 2,851 1,853 1,859 2,864 2,868 36,869 1,876 14,877 2,880 2,882 1,901 17.75,902 14.7,903 7.972,904 5.711,907 2.769,908 1.325,909 0.978,910 8.254,911 11.284,912 3.882,913 4.425,914 4.973,915 5.546,916 6.09,917 6.392,918 6.706,919 7.014,920 7.271,921 7.085,922 0.9,923 61,924 13.454,926 5.714,927 0.026,929 7.294,931 27.479,933 24.006,936 1.794,937 64.583,941 494.386,942 128.921,943 85.704,948 128.921,949 494.386,950 85.704,951 17.65,952 67.523,953 74.868,954 34.796,955 19.787,957 494.386,959 494.386,960 214.625,964 376.675,965 117.711,968 108.085,969 52.791,970 53.749,972 494.386,973 85.704,974 128.921,977 494.386,978 54.413,979 74.508,980 36.022,981 49.683,982 494.386,983 85.704,984 128.921,986 0.572,987 0.34,988 0.203,989 0.112,990 27,991 11,992 0.116,993 10,994 4,995 1.304,996 4.833,997 334.277,998 0.348,999 22,1000 186.117,1005 25.641,1006 11.588,1007 5.797,1008 2.436,1009 85.704,1010 8.639,1011 4.969,1015 4.162,1017 68.919,1018 709.012,1019 47.5,1026 4.747,1028 2.943,1031 79.963,1032 92.712,1034 0.19,1035 0.503,1036 0.738,1037 0.883,1038 0.917,1039 0.924,1040 5.152,1041 1.865,1042 6.12,1043 5.994,1044 4.727,1045 5.112,1046 1.601,1047 6.991,1048 4.694,1049 6.335,1050 1.573,1051 7.71,1052 3.815,1053 4.369,1054 4.956,1056 8.197,1057 4.315,1058 7.653,1059 1.506,1060 9.421,1061 3.42,1062 6.392,1063 7.267,1064 1.359,1065 11.328,1066 6.325,1067 9.011,1068 1.347,1069 11.211,1070 3.329,1071 6.919,1072 7.995,1074 13.427,1075 6.832,1076 10.41,1077 1.247,1078 13.056,1079 3.145,1080 8.416,1081 9.802,1082 1.319,1083 16.154,1084 8.317,1085 11.837,1086 1.18,1087 14.939,1088 2.902,1089 9.355,1090 10.942,1092 18.576,1093 9.238,1094 13.288,1095 0.992,1096 16.849,1097 2.633,1098 10.667,1099 12.559,1100 1.34,1101 21.203,1102 10.538,1103 3.534,1104 0.771,1105 18.781,1106 2.25,1107 11.786,1108 13.893,1110 23.74,1111 11.64,1112 3.226,1113 13.718,1114 20.729,1115 1.722,1116 13.041,1117 15.437,1118 1.383,1119 26.345,1120 12.882,1121 2.532,1122 11.348,1123 22.691,1124 4.564,1125 14.233,1126 16.862,1128 28.925,1129 14.059,1130 2.422,1131 8.37,1132 24.662,1133 3.823,1134 15.475,1135 18.38,1136 1.435,1137 31.528,1138 15.286,1139 2.315,1140 7.886,1141 26.643,1142 3.437,1143 16.697,1144 19.849,1146 34.125,1147 16.494,1148 2.182,1149 6.858,1150 28.63,1151 2.893,1152 17.938,1153 21.36,1154 1.492,1155 36.732,1156 17.721,1157 2.1,1158 6.711,1159 30.622,1160 2.855,1161 19.174,1162 22.851,1164 39.337,1165 18.943,1166 23078,1167 29713,1168 27.216,1169 52.012,1170 59.245,1171 59.055,1172 61.141,1173 58.612,1174 58.6,1175 69.786,1176 5.721,1177 170.425,1178 57.589,1179 5.64,1180 5.886,1181 7.489,1182 5.561,1183 5.534,1184 7.564,1185 2.079,1186 21.763,1187 5.484,1188 14.767,1189 1.481,1190 1.476,1191 1.529,1192 1.465,1193 1.465,1194 1.745,1195 0.143,1196 4.261,1197 1.44,1198 4.12,1199 4.153,1200 4.077,1201 4.046,1202 5.029,1203 4.049,1204 4.029,1205 4.069,1206 3.95,1207 3.953,1208 4.969,1209 3.947,1210 3.771,1211 3.837,1212 3.624,1213 3.655,1214 4.482,1215 3.64,1216 3.732,1217 3.781,1218 3.605,1219 3.639,1220 4.413,1221 3.622,1222 3.596,1223 3.674,1224 3.446,1225 3.432,1226 4.29,1227 3.424,1228 3.469,1229 3.537,1230 3.319,1231 3.351,1232 4.231,1233 3.335,1234 3.417,1235 3.493,1236 3.256,1237 3.268,1238 4.179,1239 3.254,1240 3.284,1241 3.365,1242 3.125,1243 3.151,1244 4.021,1245 3.137,1246 0.116,1247 0.097,1248 0.19,1249 0.113,1250 0.088,1251 4.64,1252 0.114,1253 3.886,1254 0.026,1255 7.58,1256 0.343,1257 4.52,1258 0.087,1259 3.534,1260 4.564,1261 1.039,1262 13.718,1263 3.484,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.519,1269 2.163,1270 2.013,1271 1.978,1272 2.154,1273 2.121,1274 1.437,1275 2.135,1276 1.782,1277 1.719,1278 2.029,1279 1.946,1280 1.384,1281 1.978,1282 1.754,1283 1.708,1284 1.949,1285 1.872,1286 1.173,1287 1.902,1288 1.591,1289 1.52,1290 1.848,1291 1.796,1292 1.127,1293 1.818,1294 1.492,1295 1.431,1296 1.759,1297 1.66,1298 0.999,1299 1.696,1300 1.43,1301 1.359,1302 1.718,1303 1.627,1304 0.853,1305 1.662,1306 1.29,1307 1.226,1308 1.558,1309 1.505,1310 0.816,1311 1.528,1312 4.394,1314 5.72,1316 7.262,1318 8.924,1320 10.656,1322 4.409,1326 6.886,1328 16.753,1329 7.671,1332 1.092,1334 -0.124,1340 47.148,1341 99.235,1342 262.408,1343 384.486,1344 460.3,1345 477.809,1346 481.809,1347 62.077,1348 8.515,1349 62.97,1350 62.97,1351 30,1352 12.957,1353 3.807,1354 3.087,1355 55.239,1356 224,1357 154,1358 0.118,1359 287.444,1360 504.08,1361 693.123,1362 84811,1364 24.96,1365 0.693,1366 0.626,1367 24.96,1368 22.543,1369 17.571,1370 0.439,1371 0.364,1372 14.512,1373 17.339,1374 14.097,1375 11.726,1376 17.571,1377 14.578,1378 15.648,1379 0.279,1380 0.207,1381 15.648,1382 11.618,1383 13.106,1384 0.172,1385 0.115,1386 13.106,1387 8.772,1388 12.01,1389 0.113,1390 0.068,1391 12.01,1392 7.207,1393 9.508,1394 0.07,1395 0.038,1396 9.508,1397 5.196,1398 0.197,1399 106.99,1400 0.192,1401 34.051,1402 0.292,1403 192,1404 333.623,1405 198.855,1406 341.053,1407 491.67,1408 324,1409 228,1410 379.761,1411 235.327,1412 392.371,1413 580.18,1414 373,1415 7.804}
{0 CHEMBL383242,1 1.423,2 10,3 2.062,4 4.252,5 100.295,6 6.855,7 0.429,8 4.036,9 4.142,10 3.536,11 3.509,12 5.095,13 3.492,14 4.589,15 4.773,16 3.846,17 3.871,18 5.528,19 3.845,20 4.697,21 4.843,22 4.019,23 4.087,24 5.699,25 4.035,26 4.911,27 5.099,28 3.977,29 4.19,30 5.811,31 4.089,32 5.066,33 5.307,34 3.888,35 4.19,36 5.881,37 4.063,38 4.944,39 5.172,40 3.801,41 4.123,42 5.773,43 3.982,44 4.963,45 5.235,46 3.716,47 4.011,48 5.738,49 3.866,50 4.809,51 5.064,52 3.595,53 3.81,54 5.644,55 3.7,56 0.004,57 0.682,58 11.944,59 5.172,60 10.856,61 6.687,62 0.335,63 1.065,64 22.877,65 7.854,66 26.599,67 10.406,68 0.349,69 1.275,70 24.289,71 9.78,72 26.94,73 12.962,74 0.153,75 1.517,76 30.296,77 12.247,78 27.897,79 16.65,80 0.531,81 1.628,82 37.486,83 13.204,84 43.084,85 18.4,86 0.356,87 1.491,88 32.278,89 12.361,90 33.425,91 17.239,92 0.376,93 1.433,94 33.963,95 11.872,96 37.209,97 17.05,98 0.386,99 1.19,100 29.546,101 9.473,102 36.516,103 13.317,104 42,105 39,106 0.24,107 0.502,108 0.665,109 0.722,110 0.754,111 0.78,112 3.305,113 0.938,114 -3.58,115 -3.55,116 -3.39,121 40.4,123 2,126 5,127 1,144 5,145 3,146 4,159 1,176 8,180 4,187 9,189 3,191 2,192 8,200 7,203 3,206 6,214 6,216 3,219 3,221 1,227 7,229 1,232 3,234 2,239 6,244 6,246 1,251 2,256 7,268 1,269 3,281 1016,282 17.859,283 17.859,284 17.859,285 17.859,286 17.859,287 16.112,288 25.658,289 10.237,290 18.653,291 13.534,292 13.534,293 13.534,294 13.534,295 13.534,296 10.616,297 31.303,298 4.47,299 14.416,300 4.278,301 2.72,302 1.757,303 1.419,304 1.226,305 1.073,306 3.985,310 1,311 1,312 1,313 543,314 3.082,318 210.315,322 112.543,325 1.385,326 16.989,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 56.5,338 260,339 4.55,340 3.536,341 6.717,342 4.167,343 3.191,344 4.21,345 1.356,346 10.936,347 3.115,348 4.265,349 3.212,350 6.17,351 3.853,352 2.899,353 3.911,354 0.86,355 9.148,356 2.766,357 4.086,358 3.151,359 6.111,360 3.663,361 2.73,362 3.544,363 0.86,364 8.887,365 2.538,366 3.576,367 2.617,368 5.566,369 3.235,370 2.263,371 2.892,372 0.86,373 7.14,374 2.187,375 3.457,376 2.469,377 5.201,378 3.037,379 2.088,380 2.74,381 0.86,382 6.347,383 1.976,384 3.094,385 2.218,386 4.788,387 2.779,388 1.821,389 2.261,390 0.591,391 5.173,392 1.741,393 2.919,394 2.176,395 4.369,396 2.521,397 1.609,398 2.057,400 4.129,401 1.461,402 2.509,403 1.866,404 4.241,405 2.331,406 1.417,407 1.508,409 3.668,410 1.286,411 1.966,412 1.189,413 3.464,414 1.693,415 0.776,416 0.895,418 1.684,419 0.703,420 1.822,421 1.044,422 3.07,423 1.527,424 0.623,425 0.724,427 1.188,428 0.558,429 1.569,430 0.97,431 2.966,432 1.366,433 0.452,434 0.49,436 0.856,437 0.406,438 1.476,439 0.934,440 2.796,441 1.215,442 0.362,443 0.393,445 0.494,446 0.306,447 1.363,448 0.644,449 2.584,450 1.14,451 0.252,452 0.273,454 0.381,455 0.224,456 0.95,457 0.141,458 2.467,459 0.705,460 -0.235,461 -0.263,463 -0.451,464 -0.218,465 0.877,466 0.104,467 2.395,468 0.533,469 -0.399,470 -0.473,472 -0.771,473 -0.366,474 12.233,475 0.471,476 0.568,477 0.022,478 32.25,479 1.24,480 15.5,481 0.596,482 16.75,483 0.644,484 22.608,485 0.87,486 29.467,487 0.567,488 24.684,489 0.949,490 6.876,491 0.264,492 5.728,493 0.22,494 0.204,496 0.36,501 0.89,502 1.451,503 0.847,504 1.309,505 0.842,506 1.105,507 1.513,508 0.725,509 0.903,510 0.638,511 1.227,512 0.652,513 0.835,514 1.157,515 0.988,516 1.121,517 0.747,518 1.08,519 0.81,520 1.366,521 1.089,522 1.34,523 0.856,524 1.275,525 1.081,526 0.937,527 1.063,528 0.934,529 1.137,530 0.987,531 0.745,532 1.159,533 1.077,534 1.186,535 0.938,536 1.193,537 0.785,538 0.955,539 0.877,540 0.957,541 0.774,542 0.935,543 1.27,544 0.908,545 1.006,546 0.912,547 1.097,548 0.906,549 5.5,550 0.144,551 3.333,552 1.813,553 2.222,554 0.938,555 0.687,556 0.519,557 0.275,558 0.193,559 6984,560 17433,561 2.014,562 50,564 22,568 2,569 2,572 1.695,573 1.857,574 3.3,575 -0.798,576 1,577 1,582 73.973,583 1.423,584 2.98,585 3.943,586 4.282,587 4.474,588 4.628,589 2.705,590 4.316,591 4.671,592 3.413,593 1109.19,594 8.118,595 13515.7,597 1,599 1,600 296.423,601 1.502,602 4.615,603 0.196,604 0.011,605 0.085,606 0.04,607 0.054,608 0.025,609 0.021,610 0.017,611 0.011,612 0.01,613 0.471,614 0.5,615 1,616 1.054,617 125.644,618 0.002,619 -0.251,620 0.082,621 -0.166,622 0.032,623 -0.05,624 -0.215,625 0.355,626 0.119,627 0.361,628 -0.094,629 0.311,630 0.109,631 -0.006,632 -0.041,633 -0.032,634 0.132,635 -0.055,636 -0.043,637 -0.293,638 -0.161,639 -0.275,640 -0.053,641 -0.246,642 -0.104,643 0.046,644 -0.082,645 0.042,646 -0.167,647 -0.01,648 0.02,649 -0.146,650 -0.137,651 -0.169,652 -0.114,653 -0.183,654 0.034,655 -0.009,656 0.091,657 -0.001,658 0.088,659 0.047,660 -0.113,661 0.039,662 0.012,663 0.013,664 0.003,665 0.036,666 0.926,667 2.009,668 0.615,669 21.396,670 0.999,671 1.125,672 2.352,673 5.53,674 0.641,675 3.367,676 3.689,677 4.007,678 4.263,679 4.533,680 4.615,681 4.727,682 4.844,683 4.913,684 4.828,685 5.851,686 0.605,687 356.48,688 3.367,689 4.905,690 5.771,691 6.658,692 7.544,693 8.436,694 9.328,695 10.223,696 11.118,697 12.014,698 1.9,712 1,715 5,720 7,722 12,739 4,741 52,743 13,744 2,745 28,747 54,748 21,749 12,750 7,751 5,752 1,756 3,757 4,767 1,770 2,772 13,773 8,777 1,786 1,789 1,790 1,793 26,794 4,796 5,802 1,803 1,808 0.667,809 4,829 3,833 1,859 2,864 5,868 26,876 3,878 4,893 7.7,898 4,901 14,902 11.083,903 6.056,904 2.924,907 2.582,908 1.353,909 0.945,910 5.965,911 9.889,912 3.584,913 4.19,914 4.783,915 5.329,916 5.889,917 6.13,918 6.429,919 6.724,920 6.998,921 7.102,922 0.857,923 45,924 9.568,926 3.848,927 0.026,929 7.571,931 18.563,933 14.639,936 2.071,937 53.833,941 306.049,942 139.772,943 1.899,945 44,948 139.772,949 350.048,950 1.899,951 51.929,952 9.074,953 47.381,954 2.757,955 74.53,957 306.049,959 306.049,960 141.671,961 44,964 284.406,965 67.542,968 7.175,969 132.597,972 306.049,973 45.899,974 139.772,977 306.049,978 40.462,979 101.209,981 44,982 306.049,983 45.899,984 139.772,986 0.571,987 0.365,988 0.201,989 0.111,990 18,991 9,992 0.111,993 6,994 1,995 1.125,996 3.617,997 220.746,998 0.125,999 16,1000 122.211,1005 18.895,1006 8.208,1007 3.803,1009 44,1010 10.245,1015 6.698,1018 491.719,1019 35,1028 1.263,1031 51.956,1032 58.526,1034 0.25,1035 0.523,1036 0.692,1037 0.751,1038 0.785,1039 0.812,1040 4.828,1041 1.417,1042 5.765,1043 4.129,1044 4.369,1045 4.875,1046 2.382,1047 6.608,1048 4.265,1049 6.044,1050 0.776,1051 7.349,1052 3.668,1053 4.007,1054 4.783,1055 0.623,1056 7.582,1057 3.871,1058 7.373,1059 0.623,1060 9.03,1061 1.684,1062 5.999,1063 7.099,1064 2.398,1065 10.669,1066 5.824,1067 8.74,1068 0.452,1069 10.766,1070 1.188,1071 6.447,1072 7.784,1073 1.147,1074 12.425,1075 6.229,1076 10.135,1077 0.362,1078 12.536,1079 0.856,1080 7.904,1081 9.594,1082 2.602,1083 15.039,1084 7.668,1085 11.55,1086 0.252,1087 14.329,1088 0.494,1089 8.719,1090 10.631,1091 1.768,1092 17.128,1093 8.44,1094 12.98,1095 -0.235,1096 16.138,1097 0.381,1098 9.97,1099 12.232,1100 2.953,1101 19.58,1102 9.677,1103 3.191,1104 -0.399,1105 17.96,1106 -0.451,1107 10.957,1108 13.447,1109 2.428,1110 21.819,1111 10.626,1112 2.899,1113 10.936,1114 19.791,1115 -0.771,1116 12.128,1117 14.952,1118 3.402,1119 24.214,1120 11.782,1121 2.73,1122 9.148,1123 21.631,1124 4.21,1125 13.194,1126 16.259,1127 3.093,1128 26.525,1129 12.817,1130 2.263,1131 8.887,1132 23.477,1133 3.911,1134 14.337,1135 17.718,1136 3.911,1137 28.903,1138 13.944,1139 2.088,1140 7.14,1141 25.329,1142 3.544,1143 15.44,1144 19.075,1145 3.753,1146 31.248,1147 15.021,1148 1.821,1149 6.347,1150 27.186,1151 2.892,1152 16.576,1153 20.512,1154 4.454,1155 33.623,1156 16.139,1157 1.609,1158 5.173,1159 29.047,1160 2.74,1161 17.697,1162 21.897,1163 4.405,1164 35.987,1165 17.238,1166 6998,1167 11143,1168 18.205,1169 33.341,1170 40.801,1171 42.192,1172 44.061,1173 40.815,1174 40.966,1175 51.795,1176 10.773,1177 120.061,1178 38.533,1179 5.418,1180 5.536,1181 6.27,1182 5.205,1183 5.191,1184 7.21,1185 2.557,1186 18.122,1187 5.115,1188 14.751,1189 1.457,1190 1.507,1191 1.574,1192 1.458,1193 1.463,1194 1.85,1195 0.385,1196 4.288,1197 1.376,1198 4.074,1199 4.104,1200 4.024,1201 3.984,1202 4.958,1203 3.99,1204 3.899,1205 3.913,1206 3.852,1207 3.819,1208 4.905,1209 3.824,1210 3.64,1211 3.684,1212 3.562,1213 3.443,1214 4.537,1215 3.465,1216 3.328,1217 3.381,1218 3.183,1219 3.145,1220 4.496,1221 3.143,1222 3.252,1223 3.32,1224 3.071,1225 2.992,1226 4.494,1227 2.998,1228 3.247,1229 3.314,1230 3.05,1231 2.951,1232 4.286,1233 2.959,1234 3.22,1235 3.298,1236 3.023,1237 2.941,1238 4.075,1239 2.946,1240 3.109,1241 3.194,1242 2.892,1243 2.886,1244 3.701,1245 2.876,1246 0.162,1247 0.126,1248 0.24,1249 0.149,1250 0.114,1251 4.55,1252 0.15,1253 3.536,1254 0.048,1255 6.717,1256 0.391,1257 4.167,1258 0.111,1259 3.191,1260 4.21,1261 1.356,1262 10.936,1263 3.115,1264 2.018,1265 1.993,1266 2.117,1267 2.135,1268 1.38,1269 2.131,1270 1.873,1271 1.857,1272 1.972,1273 1.979,1274 1.137,1275 1.975,1276 1.569,1277 1.522,1278 1.755,1279 1.795,1280 0.889,1281 1.782,1282 1.297,1283 1.244,1284 1.598,1285 1.546,1286 0.764,1287 1.564,1288 1.204,1289 1.128,1290 1.576,1291 1.523,1292 0.61,1293 1.539,1294 1.191,1295 1.115,1296 1.575,1297 1.522,1298 0.576,1299 1.539,1300 1.182,1301 1.099,1302 1.563,1303 1.478,1304 0.573,1305 1.509,1306 1.122,1307 1.036,1308 1.481,1309 1.358,1310 0.561,1311 1.404,1312 4.043,1314 5.361,1316 6.901,1318 8.542,1320 10.235,1322 8.791,1328 2.77,1330 21.756,1340 31.466,1341 73.973,1342 154.965,1343 205.039,1344 222.648,1345 232.648,1346 240.648,1347 37.472,1348 7.307,1349 39.93,1350 39.93,1351 18,1352 12.539,1353 3.807,1354 3,1355 44.156,1356 89,1357 96,1358 0.243,1359 193.781,1360 341.98,1361 464.585,1362 13502,1364 18.681,1365 0.719,1366 0.621,1367 18.681,1368 16.141,1369 12.604,1370 0.45,1371 0.313,1372 8.553,1373 11.886,1374 8.162,1375 6.879,1376 12.604,1377 8.756,1378 10.702,1379 0.274,1380 0.166,1381 10.702,1382 6.489,1383 9.678,1384 0.179,1385 0.093,1386 9.678,1387 5.048,1388 7.927,1389 0.113,1390 0.051,1391 7.927,1392 3.553,1393 6.647,1394 0.072,1395 0.029,1396 6.647,1397 2.663,1398 0.373,1399 80.747,1400 0.234,1401 24.679,1402 0.691,1403 134,1404 399.275,1405 147.596,1406 368.239,1407 505.77,1408 350,1409 160,1410 365.154,1411 174.845,1412 374.783,1413 543.03,1414 345,1415 5.26}
{0 CHEMBL384563,1 1.58,2 8.13,3 2.627,4 6.903,5 91.862,6 7.996,7 0.423,8 3.824,9 3.944,10 3.455,11 3.442,12 4.912,13 3.406,14 4.386,15 4.543,16 3.887,17 3.914,18 5.393,19 3.849,20 4.727,21 4.915,22 4.039,23 4.141,24 5.675,25 4.05,26 4.877,27 5.11,28 4.017,29 4.145,30 5.825,31 4.036,32 4.856,33 5.099,34 3.878,35 4.057,36 5.854,37 3.932,38 4.752,39 5.021,40 3.749,41 3.872,42 5.759,43 3.737,44 4.459,45 4.702,46 3.44,47 3.63,48 5.584,49 3.47,50 4.211,51 4.488,52 3.134,53 3.273,54 5.224,55 3.084,56 0.03,57 0.597,58 7.736,59 3.636,60 9.734,61 4.773,62 0.113,63 1.004,64 15.355,65 6.829,66 19.602,67 9.155,68 0.135,69 1.381,70 24.661,71 9.608,72 29.477,73 12.991,74 0.279,75 1.562,76 30.398,77 10.843,78 47.164,79 15.095,80 0.304,81 1.492,82 29.486,83 10.612,84 51.481,85 14.575,86 0.337,87 1.244,88 30.075,89 9.946,90 56.33,91 13.649,92 0.314,93 0.918,94 24.704,95 7.498,96 55.61,97 10.123,98 0.231,99 0.623,100 21.153,101 6.443,102 41.29,103 8.427,104 19,105 39,106 0.278,107 0.692,108 0.85,109 0.896,110 0.896,111 0.896,112 3.191,113 0.947,114 -3.79,115 -3.75,116 -3.57,121 43.9,122 1,123 2,124 2,129 1,137 1,138 1,144 3,145 2,146 2,148 2,160 1,165 1,166 1,167 1,176 9,180 4,183 1,185 4,187 15,189 2,192 3,197 6,200 12,203 2,206 6,208 1,209 1,211 5,214 11,216 4,219 5,222 1,223 1,224 4,226 1,227 7,229 2,232 2,237 4,239 10,241 3,243 1,244 2,246 1,247 1,249 2,251 7,256 1,264 5,269 2,274 1,277 1,281 606,282 15.541,283 15.541,284 15.541,285 15.541,286 15.541,287 13.787,288 16.74,289 8.947,290 15.802,291 12.819,292 12.819,293 12.819,294 12.819,295 12.819,296 10.139,297 15.745,298 4.193,299 13.265,300 3.777,301 1.423,302 0.525,303 0.262,304 0.262,305 0.262,306 3.888,308 1,310 1,311 1,312 1,313 409,314 2.646,318 149.497,320 46.83,322 121.819,324 69.95,325 1.289,326 22.551,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 48.833,338 187,339 4.689,340 3.578,341 7.051,342 4.352,343 3.366,344 4.587,345 1.058,346 12.124,347 3.318,348 4.234,349 3.133,350 6.479,351 3.943,352 2.962,353 3.656,354 0.68,355 10.077,356 2.903,357 3.836,358 2.91,359 5.955,360 3.438,361 2.476,362 3.176,364 8.244,365 2.386,366 3.546,367 2.835,368 5.44,369 3.181,370 2.201,371 2.909,373 6.916,374 2.157,375 3.428,376 2.548,377 5.182,378 3.089,379 2.116,380 2.723,382 6.134,383 2.056,384 3.327,385 2.456,386 5.015,387 2.993,388 2.068,389 2.435,391 5.935,392 1.86,393 2.965,394 2.303,395 4.827,396 2.699,397 1.745,398 2.019,400 5.176,401 1.615,402 2.677,403 1.899,404 3.976,405 2.242,406 1.23,407 1.56,409 2.89,410 1.227,411 2.491,412 1.212,413 3.776,414 2.074,415 1.096,416 1.484,418 2.539,419 1.058,420 1.641,421 1.088,422 3.302,423 1.357,424 0.344,425 0.412,427 0.707,428 0.343,429 1.43,430 0.517,431 3,432 1.159,433 0.179,434 0.208,436 0.524,437 0.171,438 1.26,439 0.28,440 2.765,441 0.87,442 -0.087,443 -0.11,445 -0.22,446 -0.082,447 1.005,448 0.109,449 2.643,450 0.598,451 -0.28,452 -0.342,454 -0.693,455 -0.202,456 0.649,457 0.001,458 2.393,459 0.359,460 -0.644,461 -0.75,463 -1.26,464 -0.608,465 0.54,466 -0.45,467 2.333,468 0.234,469 -0.736,470 -0.913,472 -1.907,473 -0.722,474 11.248,475 0.489,476 0.678,477 0.029,478 27.75,479 1.207,480 13,481 0.565,482 14.75,483 0.641,484 21.416,485 0.931,486 24.152,487 0.589,488 18.809,489 0.818,490 5.12,491 0.223,492 5.96,493 0.259,494 0.173,496 0.445,501 0.72,502 1.065,503 0.631,504 0.832,505 0.642,506 0.82,507 0.58,508 1.066,509 0.658,510 0.88,511 0.519,512 0.889,513 0.762,514 1.224,515 0.909,516 1.084,517 0.62,518 1.072,519 0.735,520 1.109,521 0.79,522 1.005,523 0.664,524 1.017,525 0.928,526 1.011,527 0.795,528 0.985,529 1.047,530 1.047,531 1.045,532 0.897,533 0.737,534 0.822,535 1.173,536 0.856,537 1.106,538 0.949,539 1.354,540 1.157,541 1.029,542 1.173,543 1.49,544 0.731,545 1.166,546 0.857,547 1.7,548 0.877,549 5,550 0.029,551 2.667,552 2.313,553 2.164,554 1.194,555 0.625,556 0.311,557 0.148,558 0.097,559 4896,560 13987,561 2.115,562 43.9,563 5,564 5,566 1,567 3,568 2,569 2,572 1.665,573 1.944,574 2.99,575 0.989,576 1,577 1,579 1,582 64.787,583 1.58,584 3.935,585 4.833,586 5.095,587 5.095,588 5.095,589 2.525,590 4.23,591 4.492,592 3.083,593 779.906,594 7.779,595 8261.34,596 1,597 1,599 1,600 219.66,601 1.491,602 4.44,603 0.192,604 0.01,605 0.068,606 0.053,607 0.053,608 0.035,609 0.022,610 0.016,611 0.012,612 0.016,613 0.478,614 0.5,615 1,616 1.029,617 103.6,618 -0.084,619 0.092,620 0.01,621 0.098,622 -0.044,623 0.086,624 0.057,625 0.012,626 0.049,627 0.075,628 0.055,629 0.057,630 -0.073,631 -0.175,632 -0.095,633 -0.13,634 -0.055,635 -0.118,636 0.019,637 -0.084,638 -0.005,639 -0.075,640 0.007,641 -0.059,642 -0.04,643 -0.004,644 -0.035,645 -0.065,646 -0.079,647 -0.095,648 -0.009,649 0.029,650 0.146,651 0.136,652 -0.005,653 0.135,654 0.001,655 0.003,656 -0.204,657 -0.169,658 0.043,659 -0.193,660 -0.123,661 0.07,662 0.094,663 0.194,664 -0.142,665 0.167,666 1.238,667 4.039,668 0.739,669 15.928,670 1.001,671 1.121,672 2.559,673 6.548,674 0.693,675 3.296,676 3.689,677 4.043,678 4.431,679 4.779,680 4.984,681 5.147,682 5.352,683 5.455,684 5.521,685 4.746,686 0.654,687 327.84,688 3.296,689 4.875,690 5.771,691 6.703,692 7.623,693 8.563,694 9.491,695 10.433,696 11.365,697 12.309,698 7.3,702 1,705 1,708 1,714 2,715 3,716 1,720 4,722 11,733 1,740 1,741 41,743 13,744 1,745 26,747 44,748 18,749 9,750 3,751 3,756 4,757 10,758 1,763 1,767 3,768 2,770 3,772 12,773 6,774 2,777 2,782 1,784 2,786 1,789 1,790 1,793 18,794 4,795 3,796 5,797 1,802 3,808 0.25,809 1,822 1,829 4,831 1,833 2,835 1,843 1,849 1,850 1,859 1,864 1,865 1,868 23,869 1,876 2,877 1,880 3,892 1,893 2.4,896 1,901 11.833,902 7.51,903 4.944,904 2.469,907 2.85,908 1.367,909 1.014,910 3.49,911 10.615,912 3.541,913 4.182,914 4.796,915 5.449,916 6.088,917 6.526,918 6.958,919 7.432,920 7.823,921 8.018,922 0.833,923 44,924 8.513,926 3.783,927 0.026,929 7.729,931 16.477,933 14.575,936 2.229,937 51.278,940 1,941 176.567,942 82.897,943 67.693,944 39.149,945 25.145,948 82.897,949 240.86,950 67.693,951 8.825,952 23.08,953 70.802,954 64.697,955 20.102,957 164.795,958 39.149,959 176.567,960 150.59,961 25.145,962 39.149,964 153.024,965 48.687,968 36.806,969 87.523,970 65.41,972 176.567,973 92.838,974 122.046,977 176.567,978 25.171,979 57.726,980 18.011,981 113.976,982 176.567,983 92.838,984 122.046,986 0.591,987 0.357,988 0.216,989 0.133,990 22,991 10,992 0.023,993 1,994 4,995 1.412,996 3.344,997 205.783,998 0.471,999 16,1000 104.042,1005 14.827,1006 5.413,1007 2.294,1008 1.776,1009 92.838,1010 5.632,1011 4.83,1015 3.581,1017 50.908,1018 391.451,1019 33.5,1024 11.039,1026 3.065,1028 1.352,1031 41.025,1032 45.97,1034 0.295,1035 0.734,1036 0.902,1037 0.951,1038 0.951,1039 0.951,1040 4.826,1041 1.23,1042 5.796,1043 5.176,1044 4.369,1045 4.868,1046 1.427,1047 6.701,1048 4.309,1049 6.057,1050 1.096,1051 7.409,1052 2.89,1053 4.111,1054 4.832,1056 7.743,1057 4.007,1058 7.394,1059 0.344,1060 9.121,1061 2.539,1062 6.047,1063 7.118,1064 1.37,1065 10.919,1066 5.95,1067 8.762,1068 0.179,1069 10.889,1070 0.707,1071 6.567,1072 7.884,1074 12.776,1075 6.444,1076 10.161,1077 -0.087,1078 12.693,1079 0.524,1080 8.023,1081 9.7,1082 1.388,1083 15.494,1084 7.9,1085 11.583,1086 -0.28,1087 14.524,1088 -0.22,1089 8.91,1090 10.857,1092 17.706,1093 8.772,1094 13.024,1095 -0.644,1096 16.374,1097 -0.693,1098 10.188,1099 12.49,1100 1.444,1101 20.267,1102 10.044,1103 3.366,1104 -0.736,1105 18.239,1106 -1.26,1107 11.248,1108 13.839,1110 22.634,1111 11.091,1112 2.962,1113 12.124,1114 20.117,1115 -1.907,1116 12.463,1117 15.399,1118 1.519,1119 25.14,1120 12.298,1121 2.476,1122 10.077,1123 22.006,1124 4.587,1125 13.6,1126 16.839,1128 27.574,1129 13.421,1130 2.201,1131 8.244,1132 23.903,1133 3.656,1134 14.798,1135 18.372,1136 1.603,1137 30.063,1138 14.609,1139 2.116,1140 6.916,1141 25.808,1142 3.176,1143 15.969,1144 19.855,1146 32.527,1147 15.767,1148 2.068,1149 6.134,1150 27.718,1151 2.909,1152 17.165,1153 21.378,1154 1.692,1155 35.013,1156 16.95,1157 1.745,1158 5.935,1159 29.634,1160 2.723,1161 18.352,1162 22.881,1164 37.49,1165 18.124,1166 4734,1167 8073,1168 17.224,1169 28.421,1170 40.185,1171 41.717,1172 42.008,1173 39.815,1174 39.568,1175 50.333,1176 3.477,1177 122.529,1178 38.192,1179 5.642,1180 5.578,1181 6.809,1182 5.395,1183 5.366,1184 7.587,1185 2.117,1186 19.798,1187 5.318,1188 11.738,1189 1.546,1190 1.605,1191 1.616,1192 1.531,1193 1.522,1194 1.936,1195 0.134,1196 4.713,1197 1.469,1198 4.14,1199 4.169,1200 4.138,1201 4.073,1202 7.454,1203 4.075,1204 3.887,1205 3.92,1206 3.884,1207 3.819,1208 5.158,1209 3.812,1210 3.476,1211 3.526,1212 3.589,1213 3.39,1214 4.898,1215 3.381,1216 3.418,1217 3.466,1218 3.335,1219 3.179,1220 4.619,1221 3.195,1222 3.259,1223 3.33,1224 3.175,1225 3.091,1226 4.432,1227 3.096,1228 3.062,1229 3.133,1230 3.045,1231 2.867,1232 4.078,1233 2.869,1234 2.987,1235 3.068,1236 2.874,1237 2.826,1238 3.986,1239 2.826,1240 2.737,1241 2.838,1242 2.775,1243 2.575,1244 3.655,1245 2.558,1246 0.18,1247 0.138,1248 0.271,1249 0.167,1250 0.129,1251 4.689,1252 0.176,1253 3.578,1254 0.041,1255 7.051,1256 0.466,1257 4.352,1258 0.128,1259 3.366,1260 4.587,1261 1.058,1262 12.124,1263 3.318,1264 2.096,1265 2.072,1266 2.18,1267 2.183,1268 1.532,1269 2.185,1270 1.884,1271 1.854,1272 1.994,1273 1.979,1274 1.171,1275 1.99,1276 1.473,1277 1.43,1278 1.693,1279 1.643,1280 0.918,1281 1.656,1282 1.312,1283 1.259,1284 1.501,1285 1.567,1286 0.77,1287 1.551,1288 1.244,1289 1.181,1290 1.474,1291 1.455,1292 0.585,1293 1.471,1294 1.032,1295 0.966,1296 1.341,1297 1.298,1298 0.385,1299 1.328,1300 0.962,1301 0.9,1302 1.198,1303 1.195,1304 0.224,1305 1.202,1306 0.737,1307 0.659,1308 1.084,1309 0.992,1310 0.166,1311 1.031,1312 3.97,1314 5.342,1316 6.932,1318 8.639,1320 10.409,1322 2.145,1323 6.094,1326 6.511,1328 1.696,1329 3.003,1332 0.555,1340 26.821,1341 64.787,1342 161.321,1343 198.15,1344 208.905,1345 208.905,1346 208.905,1347 37.554,1348 7.765,1349 68.01,1350 68.01,1351 24,1352 12.804,1353 3.807,1354 3.087,1355 31.578,1356 66,1357 69,1358 0.251,1359 166.079,1360 287.24,1361 396.993,1362 22635,1363 2.4,1364 16.137,1365 0.702,1366 0.591,1367 16.637,1368 13.6,1369 11.08,1370 0.426,1371 0.316,1372 7.797,1373 10.521,1374 7.551,1375 6.198,1376 11.368,1377 8.205,1378 10.463,1379 0.268,1380 0.179,1381 10.871,1382 6.986,1383 8.993,1384 0.161,1385 0.095,1386 9.255,1387 5.337,1388 8.401,1389 0.101,1390 0.053,1391 8.636,1392 4.385,1393 7.342,1394 0.062,1395 0.029,1396 7.574,1397 3.391,1398 0.371,1399 71.512,1400 0.241,1401 21.653,1402 0.765,1403 130,1404 325.229,1405 151.871,1406 351.989,1407 474.84,1408 328,1409 160,1410 326.942,1411 176.084,1412 345.952,1413 510.11,1414 326,1415 7.009}
{0 CHEMBL384886,1 1.526,2 16.342,3 4.25,4 18.061,5 146.171,6 7.036,7 0.415,8 4.386,9 4.507,10 3.894,11 3.872,12 5.457,13 3.853,14 4.943,15 5.124,16 4.21,17 4.252,18 5.949,19 4.205,20 5.177,21 5.383,22 4.344,23 4.404,24 6.197,25 4.342,26 5.238,27 5.448,28 4.329,29 4.415,30 6.258,31 4.348,32 5.305,33 5.526,34 4.257,35 4.422,36 6.301,37 4.337,38 5.294,39 5.524,40 4.128,41 4.401,42 6.263,43 4.283,44 5.301,45 5.578,46 4.078,47 4.319,48 6.341,49 4.169,50 5.153,51 5.427,52 3.893,53 4.158,54 6.121,55 4.014,56 0.067,57 1.047,58 16.443,59 7.011,60 10.916,61 9.283,62 0.402,63 1.631,64 31.273,65 11.333,66 38.267,67 15.635,68 0.639,69 2.001,70 40.445,71 13.683,72 63.766,73 19.599,74 0.589,75 2.108,76 43.247,77 13.849,78 67.122,79 20.004,80 0.83,81 2.136,82 47.593,83 14.725,84 79.967,85 20.859,86 0.651,87 2.081,88 46.721,89 15.386,90 70.981,91 21.855,92 0.945,93 1.956,94 48.5,95 16.175,96 124.609,97 23.948,98 0.691,99 1.682,100 41.916,101 13.563,102 90.48,103 19.967,104 35,105 55,106 0.236,107 0.538,108 0.719,109 0.826,110 0.844,111 0.861,112 3.667,113 0.955,114 -3.61,115 -3.58,116 -3.41,121 39.2,123 8,126 3,127 1,144 6,145 3,146 4,148 2,160 2,173 1,176 13,180 8,183 2,185 5,187 13,191 2,192 10,195 1,197 8,200 8,205 1,206 9,209 1,211 8,214 7,219 8,222 2,223 1,224 8,227 12,232 3,236 1,237 2,239 12,243 4,244 6,247 3,249 1,251 11,255 1,256 4,259 2,261 4,264 8,269 3,274 4,277 2,281 2844,282 26.162,283 26.162,284 26.162,285 26.162,286 26.162,287 23.841,288 30.192,289 15.645,290 26.802,291 20.066,292 20.066,293 20.066,294 20.066,295 20.066,296 16.128,297 28.815,298 7.165,299 20.762,300 4.684,301 2.74,302 1.571,303 0.882,304 0.764,305 0.652,306 4.364,312 1,313 1335,314 4.637,318 455.39,322 354.512,325 2.446,326 39.428,329 0.75,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.71,337 83,338 621,339 4.641,340 3.582,341 6.83,342 4.208,343 3.227,344 4.564,345 1.907,346 11.349,347 3.165,348 4.42,349 3.569,350 6.523,351 4.009,352 3.061,353 4.104,354 1.886,355 10.257,356 2.899,357 3.915,358 3.375,359 5.982,360 3.524,361 2.532,362 3.438,363 0.86,364 8.37,365 2.512,366 3.705,367 3.35,368 5.389,369 3.443,370 2.442,371 2.938,372 0.86,373 6.836,374 2.432,375 3.666,376 2.666,377 5.32,378 3.385,379 2.379,380 2.923,381 0.86,382 6.754,383 2.383,384 3.502,385 2.564,386 5.19,387 3.155,388 2.171,389 2.787,390 0.149,391 6.118,392 2.127,393 3.485,394 2.555,395 5.028,396 3.085,397 2.114,398 2.743,400 6.044,401 2.043,402 3.355,403 2.314,404 4.983,405 2.972,406 2.061,407 2.604,409 5.936,410 1.867,411 2.937,412 1.964,413 4.116,414 2.516,415 1.527,416 2.141,418 3.338,419 1.508,420 2.605,421 1.752,422 3.899,423 2.415,424 1.428,425 1.638,427 3.329,428 1.404,429 2.499,430 1.623,431 3.81,432 2.345,433 1.347,434 1.491,436 3.021,437 1.343,438 2.485,439 1.449,440 3.607,441 2.242,442 1.247,443 1.474,445 2.902,446 1.24,447 2.228,448 1.35,449 3.594,450 2.022,451 1.167,452 1.211,454 2.527,455 1.006,456 2.137,457 1.243,458 3.504,459 1.982,460 1.011,461 1.098,463 2.382,464 0.962,465 1.788,466 1.152,467 3.131,468 1.635,469 0.669,470 0.72,472 1.464,473 0.642,474 17.767,475 0.468,476 0.725,477 0.019,478 45,479 1.184,480 21,481 0.553,482 24,483 0.632,484 38.008,485 1,486 42.833,487 0.579,488 36.923,489 0.972,490 8.864,491 0.233,492 9.669,493 0.254,494 0.122,496 0.31,501 0.79,502 1.296,503 0.841,504 1.199,505 0.579,506 1.049,507 1.022,508 1.108,509 0.914,510 0.991,511 0.669,512 0.944,513 0.893,514 1.136,515 0.917,516 1.007,517 1.037,518 0.967,519 1.089,520 1.199,521 1.074,522 1.108,523 1.151,524 1.079,525 1.394,526 0.994,527 1.203,528 0.984,529 1.11,530 1.046,531 1.205,532 1.073,533 1.226,534 1.13,535 1.259,536 1.171,537 0.532,538 0.915,539 0.817,540 0.971,541 0.864,542 0.953,543 0.839,544 0.954,545 0.913,546 0.962,547 1.354,548 0.958,549 6.5,550 0.149,551 4,552 2.563,553 2.444,554 0.993,555 0.811,556 0.493,557 0.246,558 0.182,559 26823,560 68329,561 2.053,562 48.6,563 8,564 17,567 3,568 6,569 2,572 1.78,573 1.932,574 3.891,575 0.764,582 112.891,583 1.526,584 3.469,585 4.638,586 5.327,587 5.446,588 5.557,589 3.23,590 4.564,591 5.228,592 4.181,593 2939.11,594 9.157,595 54600.9,600 459.5,601 1.359,602 5.183,603 0.159,604 0.005,605 0.073,606 0.042,607 0.042,608 0.019,609 0.018,610 0.012,611 0.007,612 0.006,613 0.382,614 0.33,615 0.75,616 0.812,617 217.929,618 -0.009,619 -0.036,620 0.052,621 -0.046,622 0.004,623 0.006,624 -0.036,625 0.001,626 0.043,627 0.067,628 0.03,629 0.065,630 0.071,631 -0.059,632 0.052,633 0.01,634 -0.03,635 0.025,636 -0.065,637 -0.111,638 -0.092,639 -0.121,640 -0.102,641 -0.109,642 -0.192,643 0.04,644 -0.191,645 -0.022,646 -0.105,647 -0.095,648 -0.172,649 -0.064,650 -0.239,651 -0.144,652 -0.141,653 -0.193,654 0.306,655 -0.01,656 0.164,657 0.002,658 0.302,659 0.048,660 0.092,661 -0.051,662 0.082,663 0.001,664 0.024,665 0.031,666 1.79,667 5.513,668 0.526,669 44.36,670 1.002,671 1.131,672 2.382,673 5.673,674 0.642,675 3.738,676 4.025,677 4.304,678 4.564,679 4.804,680 4.844,681 4.949,682 4.984,683 5.011,684 4.86,685 10.019,686 0.609,687 520.69,688 3.738,689 5.263,690 6.107,691 6.976,692 7.842,693 8.72,694 9.595,695 10.478,696 11.359,697 12.246,698 5.4,703 1,705 2,708 1,714 2,715 6,716 1,720 7,722 17,739 3,741 74,743 19,744 2,745 41,747 77,748 29,749 15,750 6,751 6,756 4,757 7,767 4,770 8,772 17,773 12,777 2,782 2,786 2,793 36,794 9,795 3,796 9,802 4,806 1,808 0.5,809 5,822 1,829 4,833 2,843 1,859 2,864 3,868 38,876 9,877 3,878 3,893 6.8,896 2,898 3,901 19.667,902 14.033,903 8.75,904 4.517,907 3.268,908 1.401,909 0.96,910 10.074,911 11.425,912 3.961,913 4.522,914 5.092,915 5.664,916 6.233,917 6.508,918 6.831,919 7.097,920 7.375,921 7.198,922 1,923 61,924 14.104,926 5.857,927 0.026,929 7.732,931 27.067,933 21.791,936 2.232,937 84.833,941 388.446,942 153.63,943 70.573,945 83.29,948 153.63,949 471.736,950 70.573,951 32.649,952 58.281,953 56.857,954 94.373,955 65.332,957 388.446,959 388.446,960 224.203,961 83.29,964 364.904,965 106.832,968 63.182,969 126.347,970 34.674,972 388.446,973 153.862,974 153.63,977 388.446,978 64.123,979 89.507,980 53.787,981 100.075,982 388.446,983 153.862,984 153.63,986 0.564,987 0.341,988 0.192,989 0.108,990 23,991 11,992 0.156,993 12,994 2,995 1.2,996 4.901,997 346.9,998 0.2,999 20,1000 191.421,1005 27.994,1006 13.675,1007 7.1,1008 1.937,1009 153.862,1010 11.674,1011 4.829,1015 5.789,1017 53.787,1018 695.939,1019 51.5,1024 24.861,1028 -0.2,1031 74.181,1032 83.683,1034 0.246,1035 0.559,1036 0.747,1037 0.858,1038 0.877,1039 0.895,1040 5.189,1041 2.061,1042 6.071,1043 6.044,1044 4.71,1045 5.209,1046 2.846,1047 6.87,1048 4.65,1049 6.372,1050 1.527,1051 7.619,1052 5.936,1053 4.205,1054 5.075,1055 2.179,1056 7.781,1057 4.136,1058 7.677,1059 1.428,1060 9.272,1061 3.338,1062 6.282,1063 7.414,1064 3.636,1065 10.896,1066 6.173,1067 9.02,1068 1.347,1069 10.989,1070 3.329,1071 6.635,1072 8.134,1073 3.675,1074 12.675,1075 6.5,1076 10.4,1077 1.247,1078 12.748,1079 3.021,1080 8.144,1081 9.963,1082 4.711,1083 15.316,1084 7.983,1085 11.805,1086 1.167,1087 14.538,1088 2.902,1089 8.91,1090 11.083,1091 5.057,1092 17.455,1093 8.714,1094 13.229,1095 1.011,1096 16.35,1097 2.527,1098 10.191,1099 12.716,1100 5.903,1101 19.942,1102 9.973,1103 3.227,1104 0.669,1105 18.179,1106 2.382,1107 11.162,1108 14.033,1109 6.392,1110 22.233,1111 10.907,1112 3.061,1113 11.349,1114 20.022,1115 1.464,1116 12.354,1117 15.585,1118 7.141,1119 24.668,1120 12.076,1121 2.532,1122 10.257,1123 21.875,1124 4.564,1125 13.422,1126 16.998,1127 7.701,1128 27.025,1129 13.11,1130 2.442,1131 8.37,1132 23.738,1133 4.104,1134 14.583,1135 18.518,1136 8.4,1137 29.442,1138 14.247,1139 2.379,1140 6.836,1141 25.608,1142 3.438,1143 15.696,1144 19.977,1145 8.997,1146 31.828,1147 15.33,1148 2.171,1149 6.754,1150 27.484,1151 2.938,1152 16.849,1153 21.485,1154 9.669,1155 34.241,1156 16.459,1157 2.114,1158 6.118,1159 29.366,1160 2.923,1161 17.984,1162 22.967,1163 10.286,1164 36.642,1165 17.568,1166 25550,1167 40919,1168 27.334,1169 47.478,1170 59.212,1171 62.237,1172 62.403,1173 59.221,1174 59.381,1175 74.72,1176 13.044,1177 165.956,1178 57.455,1179 5.607,1180 5.582,1181 6.521,1182 5.249,1183 5.227,1184 7.564,1185 3.306,1186 18.88,1187 5.165,1188 19.56,1189 1.444,1190 1.518,1191 1.522,1192 1.444,1193 1.448,1194 1.822,1195 0.318,1196 4.048,1197 1.401,1198 4.114,1199 4.144,1200 4.074,1201 4.039,1202 7.431,1203 4.044,1204 3.961,1205 3.975,1206 3.916,1207 3.869,1208 7.427,1209 3.877,1210 3.753,1211 3.805,1212 3.651,1213 3.65,1214 4.99,1215 3.637,1216 3.731,1217 3.78,1218 3.615,1219 3.566,1220 4.956,1221 3.574,1222 3.593,1223 3.636,1224 3.51,1225 3.391,1226 4.58,1227 3.407,1228 3.382,1229 3.458,1230 3.246,1231 3.185,1232 4.464,1233 3.188,1234 3.303,1235 3.355,1236 3.144,1237 3.053,1238 4.42,1239 3.074,1240 3.264,1241 3.321,1242 3.139,1243 3.006,1244 4.297,1245 3.026,1246 0.113,1247 0.087,1248 0.167,1249 0.103,1250 0.079,1251 4.641,1252 0.111,1253 3.582,1254 0.047,1255 6.83,1256 0.277,1257 4.208,1258 0.077,1259 3.227,1260 4.564,1261 1.907,1262 11.349,1263 3.165,1264 2.069,1265 2.044,1266 2.154,1267 2.161,1268 1.432,1269 2.16,1270 1.91,1271 1.896,1272 2.016,1273 2.027,1274 1.254,1275 2.021,1276 1.754,1277 1.709,1278 1.949,1279 1.916,1280 1.209,1281 1.916,1282 1.701,1283 1.645,1284 1.92,1285 1.872,1286 1.144,1287 1.901,1288 1.521,1289 1.481,1290 1.725,1291 1.76,1292 0.9,1293 1.742,1294 1.323,1295 1.259,1296 1.59,1297 1.595,1298 0.758,1299 1.587,1300 1.227,1301 1.163,1302 1.57,1303 1.558,1304 0.634,1305 1.565,1306 1.218,1307 1.162,1308 1.54,1309 1.509,1310 0.599,1311 1.528,1312 4.419,1314 5.714,1316 7.216,1318 8.823,1320 10.492,1322 4.678,1328 6.269,1329 8.91,1330 16.086,1340 45.088,1341 112.891,1342 256.714,1343 343.222,1344 394.215,1345 402.97,1346 411.235,1347 86.106,1348 8.157,1349 110.81,1350 110.81,1351 24,1352 12.779,1353 4.322,1354 3.524,1355 68.315,1356 239,1357 186,1358 0.136,1359 277.259,1360 489.67,1361 668.272,1362 52623,1364 26.907,1365 0.708,1366 0.587,1367 26.907,1368 22.317,1369 18.533,1370 0.452,1371 0.318,1372 12.825,1373 17.674,1374 12.481,1375 10.391,1376 18.533,1377 13.046,1378 15.712,1379 0.286,1380 0.169,1381 15.712,1382 9.297,1383 13.349,1384 0.183,1385 0.093,1386 13.349,1387 6.764,1388 11.12,1389 0.117,1390 0.051,1391 11.12,1392 4.813,1393 9.279,1394 0.077,1395 0.029,1396 9.279,1397 3.48,1398 0.226,1399 117.468,1400 0.191,1401 35.489,1402 0.341,1403 192,1404 591.321,1405 212.28,1406 554.729,1407 750.81,1408 522,1409 224,1410 539.003,1411 244.644,1412 544.208,1413 789.85,1414 509,1415 7.142}
{0 CHEMBL385130,1 1.311,2 26.28,3 8.253,4 68.109,5 210.28,6 5.793,7 0.235,8 4.802,9 4.951,10 4.125,11 4.261,12 5.701,13 4.187,14 5.408,15 5.646,16 4.367,17 4.629,18 6.19,19 4.511,20 5.671,21 5.936,22 4.471,23 4.813,24 6.433,25 4.664,26 5.809,27 6.081,28 4.441,29 4.884,30 6.579,31 4.708,32 5.867,33 6.164,34 4.419,35 4.918,36 6.547,37 4.719,38 5.884,39 6.184,40 4.381,41 4.909,42 6.57,43 4.706,44 5.851,45 6.148,46 4.29,47 4.877,48 6.539,49 4.655,50 5.824,51 6.144,52 4.221,53 4.796,54 6.456,55 4.563,56 0.135,57 1.612,58 30.163,59 11.748,60 18.508,61 17.197,62 0.58,63 2.491,64 52.882,65 17.93,66 40.667,67 27.322,68 0.552,69 3.017,70 66.573,71 23.418,72 56.896,73 35.235,74 0.871,75 3.278,76 75.909,77 26.136,78 84.417,79 39.198,80 0.664,81 3.432,82 78.154,83 27.875,84 69.049,85 42.088,86 0.766,87 3.401,88 79.523,89 27.899,90 77.056,91 41.998,92 0.853,93 3.267,94 76.667,95 28.035,96 79.257,97 41.415,98 0.579,99 3.087,100 72.881,101 26.29,102 62.167,103 39.655,104 81,105 62,106 0.187,107 0.391,108 0.62,109 0.719,110 0.756,111 0.756,112 3.933,113 1.146,114 -5.88,115 -5.74,116 -5.34,121 35,122 2,123 14,126 4,127 8,144 8,145 2,146 2,160 2,176 19,179 2,180 16,187 16,192 14,200 9,205 2,206 16,214 10,219 12,227 13,232 8,239 20,243 4,244 6,251 22,256 4,264 16,268 1,269 14,277 14,281 7720,282 34.07,283 34.07,284 34.07,285 34.07,286 34.07,287 32.307,288 40.305,289 21.22,290 34.871,291 24.903,292 24.903,293 24.903,294 24.903,295 24.903,296 22.101,297 44.8,298 9.769,299 25.857,300 5.596,301 4.164,302 2.559,303 1.863,304 1.604,305 1.604,306 4.608,313 2676,314 6.633,318 480.802,325 4.429,326 33.995,329 0.5,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.68,337 106,338 1314,339 4.206,340 3.7,341 6.159,342 3.84,343 2.875,344 3.805,345 1.94,346 9.118,347 2.773,348 4.206,349 3.7,350 6.159,351 3.84,352 2.875,353 3.805,354 1.94,355 9.118,356 2.773,357 3.897,358 3.188,359 5.872,360 3.68,361 2.711,362 3.063,363 0.916,364 7.931,365 2.62,366 3.897,367 3.188,368 5.872,369 3.679,370 2.71,371 3.063,372 0.916,373 7.931,374 2.62,375 3.43,376 2.729,377 5.284,378 3.303,379 2.379,380 2.467,381 0.86,382 6.713,383 2.195,384 3.43,385 2.729,386 5.284,387 3.303,388 2.379,389 2.467,390 0.86,391 6.713,392 2.195,393 2.934,394 2.234,395 4.316,396 2.902,397 1.902,398 2.088,399 0.555,400 4.075,401 1.899,402 2.917,403 2.219,404 4.316,405 2.761,406 1.774,407 2.088,408 0.555,409 4.054,410 1.745,411 2.917,412 1.958,413 4.152,414 2.686,415 1.701,416 1.959,417 0.172,418 4.003,419 1.672,420 2.856,421 1.958,422 4.133,423 2.551,424 1.569,425 1.956,426 0.172,427 3.919,428 1.543,429 2.845,430 1.794,431 3.817,432 2.488,433 1.539,434 1.925,436 3.527,437 1.451,438 2.796,439 1.692,440 3.658,441 2.473,442 1.506,443 1.798,445 3.153,446 1.441,447 2.678,448 1.691,449 3.629,450 2.43,451 1.435,452 1.681,454 3.043,455 1.425,456 2.57,457 1.505,458 3.611,459 2.409,460 1.414,461 1.557,463 3.004,464 1.405,465 2.46,466 1.505,467 3.575,468 2.312,469 1.316,470 1.415,472 2.893,473 1.303,474 23.933,475 0.479,476 0.766,477 0.015,478 46,479 0.92,480 16,481 0.32,482 30,483 0.6,484 67.178,485 1.344,486 60.667,487 0.506,488 36.601,489 0.732,490 8.474,491 0.169,492 15.846,493 0.317,494 0.153,496 0.192,501 0.799,502 1.686,503 1.083,504 1.467,505 0.593,506 1.325,507 1.168,508 1.129,509 1.126,510 1.062,511 0.66,512 1.072,513 1.021,514 1.121,515 1.03,516 1.087,517 0.933,518 1.056,519 1.294,520 1.073,521 1.145,522 1.063,523 1.506,524 1.088,525 0.863,526 1.039,527 0.995,528 1.031,529 0.968,530 1.024,531 1.062,532 0.953,533 1.034,534 0.976,535 1.025,536 0.996,537 0.936,538 0.984,539 1.067,540 1.054,541 1.04,542 1.078,543 0.685,544 1.014,545 0.878,546 1,547 0.833,548 0.968,549 7.5,550 0.273,551 4.667,552 2.375,553 1.964,554 1.083,555 0.691,556 0.486,557 0.386,558 0.251,559 66047,560 132083,561 1.941,562 58.3,563 16,564 36,568 4,569 14,572 1.841,573 1.829,574 4.606,575 -0.836,582 157.3,583 1.311,584 2.743,585 4.348,586 5.044,587 5.302,588 5.302,589 3.974,590 4.644,591 5.619,592 4.905,593 6008.84,594 9.924,595 159627,600 828.827,601 1.299,602 5.579,603 0.147,604 0.006,605 0.075,606 0.035,607 0.032,608 0.018,609 0.012,610 0.01,611 0.008,612 0.005,613 0.348,614 0.17,615 0.63,616 0.827,617 322.477,618 0.047,619 -0.284,620 0.048,621 -0.141,622 0.031,623 -0.063,624 -0.029,625 0.061,626 -0.038,627 0.015,628 0.028,629 -0.007,630 -0.032,631 -0.033,632 -0.001,633 -0.039,634 0.027,635 -0.017,636 -0.077,637 -0.042,638 -0.11,639 -0.05,640 -0.12,641 -0.081,642 -0.031,643 -0.039,644 -0.02,645 -0.033,646 -0.044,647 -0.025,648 -0.081,649 0.027,650 -0.048,651 0.002,652 -0.062,653 -0.016,655 -0.014,656 -0.092,657 -0.057,658 -0.058,659 -0.084,660 0.04,661 -0.091,662 0.053,663 -0.036,665 0.003,666 1.397,667 5.615,668 0.24,669 107.776,670 0.982,671 1.138,672 4.649,673 21.613,674 0.608,675 3.951,676 4.143,677 4.304,678 4.369,679 4.454,680 4.369,681 4.304,682 4.263,683 4.248,684 4.205,685 15.756,686 0.553,687 695.16,688 3.951,689 5.425,690 6.209,691 7.009,692 7.808,693 8.614,694 9.418,695 10.227,696 11.034,697 11.845,698 3.3,701 2,705 2,715 8,720 4,722 12,739 2,741 120,743 14,744 2,745 51,747 121,748 42,749 12,750 4,751 8,756 2,757 2,763 2,770 14,772 14,773 28,777 2,782 2,786 2,793 70,794 8,796 8,802 4,808 1,809 4,829 2,844 2,855 2,859 2,864 6,868 50,876 22,878 2,881 4,893 3.3,896 2,898 2,901 27.333,902 22.633,903 12.028,904 8.175,907 1.496,908 1.197,909 0.905,910 23.822,911 9.078,912 4.094,913 4.454,914 4.816,915 5.116,916 5.471,917 5.314,918 5.325,919 5.333,920 5.314,921 5.252,922 0.941,923 67,924 18.649,926 7.242,927 0.026,929 7.5,931 37.163,933 28.959,936 2,937 100,941 823.977,942 210.616,943 12.497,945 72.29,948 210.616,949 896.267,950 12.497,951 56.209,952 58.578,953 75.81,954 59.699,955 45.106,957 823.977,959 823.977,960 223.113,961 72.29,964 659.182,965 237.085,968 82.477,969 140.636,972 823.977,973 84.787,974 210.616,977 823.977,978 78.596,979 144.517,981 72.29,982 823.977,983 84.787,984 210.616,986 0.546,987 0.319,988 0.156,989 0.079,990 16,991 10,992 0.24,993 29,995 1,996 6.178,997 424.395,999 12,1000 232.193,1005 43.721,1006 27.243,1007 18.577,1009 84.787,1010 16.465,1015 4.347,1018 1119.38,1019 59,1024 25.23,1028 0.539,1031 117.875,1032 136.532,1034 0.19,1035 0.397,1036 0.629,1037 0.73,1038 0.768,1039 0.768,1040 5.283,1041 1.774,1042 6.12,1043 4.075,1044 4.828,1045 5.142,1046 3.013,1047 6.79,1048 4.758,1049 6.374,1050 1.701,1051 7.599,1052 4.054,1053 4.111,1054 4.635,1055 2.339,1056 7.476,1057 3.971,1058 7.6,1059 1.569,1060 9.183,1061 4.003,1062 6.286,1063 7.035,1064 3.737,1065 10.505,1066 6.139,1067 8.862,1068 1.539,1069 10.833,1070 3.919,1071 6.463,1072 7.429,1073 3.823,1074 12.064,1075 6.239,1076 10.163,1077 1.506,1078 12.527,1079 3.527,1080 8.008,1081 9.282,1082 4.841,1083 14.566,1084 7.783,1085 11.49,1086 1.435,1087 14.249,1088 3.153,1089 8.616,1090 10.099,1091 5.232,1092 16.473,1093 8.32,1094 12.837,1095 1.414,1096 15.991,1097 3.043,1098 9.885,1099 11.724,1100 6.078,1101 18.785,1102 9.583,1103 2.875,1104 1.316,1105 17.748,1106 3.004,1107 10.708,1108 12.757,1109 6.605,1110 20.843,1111 10.346,1112 2.875,1113 9.118,1114 19.515,1115 2.893,1116 11.85,1117 14.267,1118 7.363,1119 23.082,1120 11.475,1121 2.711,1122 9.118,1123 21.289,1124 3.805,1125 12.78,1126 15.418,1127 7.956,1128 25.211,1129 12.353,1130 2.71,1131 7.931,1132 23.069,1133 3.805,1134 13.864,1135 16.861,1136 8.669,1137 27.422,1138 13.417,1139 2.379,1140 7.931,1141 24.853,1142 3.063,1143 14.846,1144 18.083,1145 9.296,1146 29.585,1147 14.355,1148 2.379,1149 6.713,1150 26.64,1151 3.063,1152 15.904,1153 19.486,1154 9.985,1155 31.787,1156 15.388,1157 1.902,1158 6.713,1159 28.431,1160 2.467,1161 16.914,1162 20.75,1163 10.629,1164 33.969,1165 16.357,1166 65446,1167 92738,1168 33.167,1169 72.967,1170 70.502,1171 72.476,1172 73.975,1173 70.325,1174 70.3,1175 81.054,1176 17.779,1177 177.812,1178 67.89,1179 5.198,1180 5.7,1181 6.049,1182 4.865,1183 4.875,1184 6.805,1185 3.348,1186 15.307,1187 4.773,1188 30.516,1189 1.382,1190 1.421,1191 1.45,1192 1.379,1193 1.378,1194 1.589,1195 0.349,1196 3.487,1197 1.331,1198 3.988,1199 4.031,1200 3.908,1201 3.889,1202 7.429,1203 3.888,1204 3.925,1205 3.957,1206 3.861,1207 3.845,1208 7.425,1209 3.844,1210 3.85,1211 3.902,1212 3.735,1213 3.711,1214 4.877,1215 3.704,1216 3.793,1217 3.85,1218 3.682,1219 3.636,1220 4.847,1221 3.633,1222 3.741,1223 3.804,1224 3.586,1225 3.611,1226 4.395,1227 3.595,1228 3.685,1229 3.755,1230 3.548,1231 3.502,1232 4.392,1233 3.502,1234 3.627,1235 3.694,1236 3.496,1237 3.433,1238 4.31,1239 3.439,1240 3.544,1241 3.622,1242 3.369,1243 3.378,1244 4.258,1245 3.367,1246 0.082,1247 0.073,1248 0.121,1249 0.075,1250 0.056,1251 4.206,1252 0.075,1253 3.7,1254 0.038,1255 6.159,1256 0.179,1257 3.84,1258 0.054,1259 2.875,1260 3.805,1261 1.94,1262 9.118,1263 2.773,1264 1.913,1265 1.887,1266 2.057,1267 2.033,1268 1.411,1269 2.04,1270 1.913,1271 1.887,1272 2.048,1273 2.032,1274 1.363,1275 2.039,1276 1.818,1277 1.758,1278 2.043,1279 1.993,1280 1.36,1281 2.012,1282 1.776,1283 1.719,1284 1.99,1285 1.957,1286 1.232,1287 1.967,1288 1.753,1289 1.693,1290 1.982,1291 1.915,1292 1.196,1293 1.941,1294 1.663,1295 1.593,1296 1.907,1297 1.871,1298 1.188,1299 1.886,1300 1.596,1301 1.527,1302 1.848,1303 1.816,1304 1.042,1305 1.828,1306 1.552,1307 1.477,1308 1.834,1309 1.756,1310 1.032,1311 1.788,1312 4.635,1314 5.861,1316 7.265,1318 8.751,1320 10.283,1322 11.758,1328 21.922,1330 11.013,1333 8.727,1340 66.329,1341 157.3,1342 329.137,1343 521.729,1344 605.278,1345 636.298,1346 636.298,1347 203.392,1348 7.582,1349 65.56,1350 65.56,1351 12,1352 12.434,1353 3.907,1354 3.17,1355 163.466,1356 489,1357 358,1358 0.152,1359 418.605,1360 746.68,1361 1013.16,1362 30766,1364 36.401,1365 0.728,1366 0.652,1367 36.401,1368 32.597,1369 24.32,1370 0.477,1371 0.382,1372 19.247,1373 23.438,1374 18.578,1375 15.686,1376 24.32,1377 19.488,1378 19.33,1379 0.312,1380 0.222,1381 19.33,1382 13.734,1383 15.664,1384 0.215,1385 0.135,1386 15.664,1387 9.886,1388 11.028,1389 0.141,1390 0.083,1391 11.028,1392 6.46,1393 8.103,1394 0.095,1395 0.051,1396 8.103,1397 4.297,1398 0.264,1399 151.847,1400 0.174,1401 45.915,1402 0.358,1403 226,1404 567.523,1405 244.512,1406 537.665,1407 715.74,1408 506,1409 248,1410 493.519,1411 267.625,1412 504.352,1413 716.76,1414 468,1415 7.914}
{0 CHEMBL385132,1 1.707,2 8.7,3 3.064,4 9.391,5 80.306,6 10.683,7 0.545,8 3.559,9 3.652,10 3.437,11 3.211,12 4.756,13 3.192,14 4.047,15 4.172,16 3.87,17 3.599,18 5.256,19 3.562,20 4.287,21 4.447,22 3.934,23 3.674,24 5.633,25 3.612,26 4.255,27 4.438,28 3.621,29 3.508,30 5.483,31 3.428,32 4.153,33 4.361,34 3.471,35 3.284,36 5.426,37 3.231,38 3.917,39 4.114,40 3.348,41 3.24,42 5.102,43 3.162,44 3.787,45 3.935,46 3.395,47 3.223,48 5.084,49 3.149,50 3.689,51 3.839,52 3.374,53 3.11,54 4.984,55 3.004,56 0.051,57 0.414,58 2.171,59 2.44,60 5.529,61 2.682,62 0.173,63 0.693,64 5.147,65 4.149,66 10.171,67 4.552,68 0.327,69 0.832,70 19.175,71 6.331,72 46.69,73 6.886,74 0.295,75 0.809,76 19.046,77 6.158,78 34.611,79 6.544,80 0.388,81 0.715,82 14.361,83 5.293,84 53.037,85 5.577,86 0.237,87 0.556,88 14.858,89 4.581,90 33.547,91 4.886,92 0.166,93 0.457,94 16.1,95 4.161,96 19.455,97 4.374,98 0.153,99 0.403,100 6.415,101 3.714,102 26.089,103 3.868,104 10,105 31,106 0.319,107 0.6,108 0.715,109 0.836,110 0.865,111 0.865,112 3.058,113 0.942,114 -4.45,115 -4.38,116 -4.13,119 1,121 48.4,128 1,144 8,145 1,146 3,159 1,160 1,176 6,179 1,180 3,183 1,185 2,187 8,191 2,192 4,197 2,200 6,206 7,209 1,211 2,219 5,222 1,224 3,232 2,237 1,239 4,244 5,251 8,256 2,264 6,269 1,277 4,281 484,282 13.483,283 13.483,284 13.483,285 13.483,286 13.483,287 11.821,288 15.923,289 7.878,290 13.764,291 10.812,292 10.812,293 10.812,294 10.812,295 10.812,296 8.243,297 22.282,298 3.721,299 11.307,300 3.247,301 1.742,302 1.121,303 0.476,304 0.323,305 0.323,306 3.736,310 1,311 1,312 1,313 376,314 2.345,317 40.438,318 110.853,321 76.682,325 1.16,326 22.113,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 42.75,338 174,339 4.583,340 3.979,341 6.968,342 4.29,343 3.303,344 4.128,345 1.219,346 11.718,347 3.264,348 4.011,349 2.996,350 5.64,351 3.565,352 2.618,353 3.614,354 0.557,355 7.261,356 2.472,357 3.607,358 2.916,359 5.538,360 3.176,361 2.203,362 2.967,363 0.21,364 6.922,365 2.183,366 3.449,367 2.776,368 5.4,369 3.104,370 2.123,371 2.715,373 6.598,374 2.042,375 3.313,376 2.495,377 4.886,378 2.925,379 2.014,380 2.468,382 5.676,383 1.691,384 2.842,385 1.896,386 3.788,387 2.361,388 1.354,389 1.97,391 2.963,392 1.36,393 2.5,394 1.338,395 3.64,396 2.039,397 1.069,398 1.5,400 2.655,401 1.027,402 2.462,403 1.26,404 3.414,405 2,406 1,407 1.412,409 2.275,410 1,411 2.16,412 1,413 3.297,414 1.696,415 0.69,416 0.905,418 1.608,419 0.672,420 1.537,421 0.786,422 2.799,423 1.114,424 0.113,425 0.154,427 0.26,428 0.099,429 1.037,430 0.302,431 2.373,432 0.605,433 -0.282,434 -0.359,436 -0.619,437 -0.195,438 0.763,439 -0.018,440 2.167,441 0.316,442 -0.66,443 -0.854,445 -1.612,446 -0.596,447 0.561,448 -0.498,449 2,450 0.091,451 -0.896,452 -1.236,454 -2.182,455 -0.833,456 0.5,457 -0.826,458 2,460 -1,461 -1.424,463 -2.861,464 -0.949,465 0.197,466 -0.918,467 1.638,468 -0.213,469 -1.151,470 -1.5,472 -3,473 -1,474 10.3,475 0.515,476 0.507,477 0.025,478 28.75,479 1.438,480 16,481 0.8,482 12.75,483 0.638,484 13.081,485 0.654,486 19.7,487 0.635,488 18.266,489 0.913,490 5.648,491 0.282,492 4.017,493 0.201,494 0.194,496 0.33,501 0.636,502 1.153,503 0.463,504 0.722,505 0.521,506 0.744,507 0.676,508 1.014,509 0.569,510 0.758,511 0.592,512 0.838,513 0.793,514 1.147,515 0.935,516 1.028,517 0.693,518 1.01,519 1.115,520 1.283,521 0.832,522 1.121,523 1.059,524 1.199,525 1.432,526 0.95,527 0.379,528 0.732,529 1.578,530 0.893,531 1.236,532 0.728,533 0.734,534 0.728,535 1.211,536 0.807,537 1.025,538 0.893,539 1.162,540 1.178,541 1.09,542 1.082,543 1.258,544 0.915,545 0.814,546 0.931,547 1.509,548 1.087,549 3.5,550 0.025,551 2.667,552 1.986,553 0.804,554 0.57,555 0.375,556 0.203,557 0.153,558 0.123,559 3805,560 13213,561 2.077,562 35.5,564 8,565 2,567 1,572 1.616,573 1.935,574 3.076,575 -0.271,577 1,579 1,582 52.923,583 1.707,584 3.212,585 3.833,586 4.478,587 4.632,588 4.632,589 2.446,590 3.922,591 4.295,592 3.202,593 608.303,594 7.33,595 6171.7,596 1,597 1,598 1,599 1,600 153.58,601 1.441,602 4.248,603 0.159,604 0.006,605 0.086,606 0.064,607 0.035,608 0.03,609 0.021,610 0.011,611 0.011,612 0.014,613 0.437,614 0.5,615 1,616 0.627,617 88.292,618 -0.056,619 -0.104,620 -0.001,621 -0.005,622 -0.052,623 0.016,624 0.041,625 0.065,626 0.002,627 0.008,628 -0.018,629 -0.037,630 0.142,631 -0.138,632 -0.062,633 -0.115,634 0.191,635 -0.089,636 -0.092,637 -0.276,638 -0.097,639 -0.236,640 -0.052,641 -0.259,642 -0.13,643 0.055,644 0.053,645 0.098,646 -0.152,647 0.07,648 -0.203,649 0.245,650 -0.019,651 0.191,652 -0.127,653 0.189,654 -0.078,655 0.003,656 -0.126,657 -0.183,658 -0.051,659 -0.111,660 -0.185,661 -0.062,662 0.011,663 0.025,664 -0.218,665 -0.111,666 2.157,667 4.966,668 0.75,669 13.32,670 1.016,671 1.108,672 3.225,673 10.397,674 0.745,675 3.135,676 3.466,677 3.761,678 4.007,679 4.205,680 4.143,681 4.174,682 4.263,683 4.234,684 4.22,685 5.101,686 0.714,687 331.18,688 3.135,689 4.673,690 5.533,691 6.415,692 7.296,693 8.186,694 9.075,695 9.969,696 10.864,697 11.762,698 6.5,703 1,705 1,715 8,720 4,722 12,727 1,734 1,740 1,741 31,743 14,744 2,745 22,746 1,747 33,748 15,749 12,750 4,751 8,752 2,756 3,757 4,772 14,773 1,777 2,782 2,786 2,789 1,790 1,793 11,794 4,795 1,796 5,797 1,802 2,808 0.667,809 2,828 1,829 2,832 1,844 1,859 2,863 1,868 20,876 1,877 1,881 1,892 1,893 6.5,896 2,901 10.333,902 5.593,903 4.389,904 1.75,907 2.334,908 1.349,909 1.016,910 3.49,911 9.012,912 3.434,913 4.007,914 4.575,915 5.064,916 5.552,917 5.545,918 5.738,919 5.987,920 6.14,921 6.374,922 0.833,923 31,924 7.398,926 3.212,927 0.026,929 7.938,931 13.819,933 11.318,936 2.438,937 48.75,941 117.711,942 99.079,943 67.089,945 50.29,948 145.033,949 168.001,950 21.135,952 4.801,953 75.81,954 78.139,955 11.754,956 23.542,957 94.169,958 45.954,959 117.711,960 120.214,961 50.29,963 45.954,964 117.711,965 50.29,968 4.801,969 97.402,970 18.011,971 45.954,972 117.711,973 71.425,974 145.033,977 117.711,978 23.269,979 78.934,980 63.965,981 50.29,982 117.711,983 71.425,984 145.033,986 0.586,987 0.352,988 0.186,989 0.103,990 16,991 7,992 0.091,993 3,994 1,995 1.133,996 3.254,997 150.773,998 0.133,999 15,1000 82.439,1005 13.191,1006 5.291,1007 2.467,1009 71.425,1010 14.654,1015 3.001,1017 18.011,1018 334.169,1019 30,1024 23.804,1028 -0.936,1031 31.505,1032 34.333,1034 0.345,1035 0.648,1036 0.774,1037 0.904,1038 0.935,1039 0.935,1040 4.663,1041 1,1042 5.525,1043 2.655,1044 4.143,1045 4.691,1046 1.509,1047 6.358,1048 4.072,1049 5.868,1050 0.69,1051 7.102,1052 2.275,1053 3.761,1054 4.443,1055 0.325,1056 7.326,1057 3.628,1058 7.173,1059 0.113,1060 8.784,1061 1.608,1062 5.753,1063 6.834,1064 1.598,1065 10.465,1066 5.635,1067 8.515,1068 -0.282,1069 10.529,1070 0.26,1071 6.217,1072 7.388,1073 0.705,1074 12.324,1075 6.075,1076 9.891,1077 -0.66,1078 12.315,1079 -0.619,1080 7.69,1081 9.259,1082 1.817,1083 15.007,1084 7.55,1085 11.293,1086 -0.896,1087 14.131,1088 -1.612,1089 8.553,1090 10.201,1091 1.105,1092 17.24,1093 8.407,1094 12.715,1095 -1,1096 15.97,1097 -2.182,1098 9.834,1099 11.845,1100 2.087,1101 19.777,1102 9.684,1103 3.303,1104 -1.151,1105 17.828,1106 -2.861,1107 10.882,1108 12.993,1109 1.518,1110 22.155,1111 10.73,1112 2.618,1113 11.718,1114 19.701,1115 -3,1116 12.096,1117 14.524,1118 2.385,1119 24.643,1120 11.938,1121 2.203,1122 7.261,1123 21.586,1124 4.128,1125 13.225,1126 15.786,1127 1.94,1128 27.074,1129 13.063,1130 2.123,1131 6.922,1132 23.482,1133 3.614,1134 14.419,1135 17.258,1136 2.702,1137 29.545,1138 14.25,1139 2.014,1140 6.598,1141 25.386,1142 2.967,1143 15.584,1144 18.584,1145 2.365,1146 31.995,1147 15.408,1148 1.354,1149 5.676,1150 27.298,1151 2.715,1152 16.774,1153 20.026,1154 3.035,1155 34.46,1156 16.59,1157 1.069,1158 2.963,1159 29.215,1160 2.468,1161 17.954,1162 21.389,1163 2.791,1164 36.917,1165 17.761,1166 3712,1167 7003,1168 14.622,1169 23.08,1170 33.657,1171 35.359,1172 34.417,1173 33.27,1174 32.976,1175 43.668,1176 3.971,1177 95.871,1178 31.62,1179 5.506,1180 5.979,1181 6.646,1182 5.342,1183 5.303,1184 7.128,1185 2.319,1186 18.901,1187 5.264,1188 9.305,1189 1.53,1190 1.607,1191 1.564,1192 1.512,1193 1.499,1194 1.985,1195 0.18,1196 4.358,1197 1.437,1198 4.024,1199 4.048,1200 6.88,1201 3.926,1202 7.497,1203 3.934,1204 3.888,1205 3.915,1206 3.986,1207 3.847,1208 7.352,1209 3.83,1210 3.483,1211 3.525,1212 3.746,1213 3.298,1214 4.784,1215 3.322,1216 3.249,1217 3.291,1218 3.406,1219 3.06,1220 4.702,1221 3.058,1222 2.901,1223 2.951,1224 3.1,1225 2.809,1226 4.149,1227 2.781,1228 2.854,1229 2.925,1230 2.741,1231 2.735,1232 3.76,1233 2.715,1234 2.71,1235 2.764,1236 2.687,1237 2.613,1238 3.674,1239 2.571,1240 2.605,1241 2.613,1242 2.545,1243 2.417,1244 3.615,1245 2.443,1246 0.208,1247 0.181,1248 0.317,1249 0.195,1250 0.15,1251 4.583,1252 0.188,1253 3.979,1254 0.055,1255 6.968,1256 0.533,1257 4.29,1258 0.148,1259 3.303,1260 4.128,1261 1.219,1262 11.718,1263 3.264,1264 1.895,1265 1.869,1266 1.991,1267 1.995,1268 1.111,1269 2,1270 1.869,1271 1.847,1272 1.959,1273 1.943,1274 1.066,1275 1.955,1276 1.461,1277 1.432,1278 1.6,1279 1.718,1280 0.776,1281 1.68,1282 1.168,1283 1.126,1284 1.302,1285 1.41,1286 0.299,1287 1.381,1288 0.886,1289 0.841,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.879,1295 0.821,1296 1.075,1297 1.057,1298 0.165,1299 1.057,1300 0.782,1301 0.727,1302 0.982,1303 0.976,1304 0.095,1305 1.005,1306 0.619,1307 0.567,1308 0.85,1309 0.801,1311 0.839,1312 3.807,1314 5.13,1315 2.398,1316 6.655,1317 4.949,1318 8.268,1319 7.195,1320 9.926,1321 3.365,1328 0.267,1329 3.138,1333 1.458,1340 22.132,1341 52.923,1342 99.58,1343 118.825,1344 138.825,1345 143.58,1346 143.58,1347 33.348,1348 6.678,1349 51.1,1350 51.1,1351 17,1352 12.286,1353 3.907,1354 3.17,1355 30.029,1356 60,1357 66,1358 0.247,1359 142.551,1360 246.92,1361 339.585,1362 6323,1363 3.2,1364 14.113,1365 0.706,1366 0.603,1367 15.113,1368 12.054,1369 9.665,1370 0.439,1371 0.314,1372 6.088,1373 8.809,1374 5.926,1375 4.883,1376 10.242,1377 6.906,1378 8.698,1379 0.281,1380 0.172,1381 9.514,1382 5.337,1383 7.649,1384 0.182,1385 0.088,1386 8.226,1387 3.693,1388 6.065,1389 0.112,1390 0.045,1391 6.399,1392 2.408,1393 4.995,1394 0.076,1395 0.026,1396 5.467,1397 1.696,1398 0.38,1399 68.506,1400 0.262,1401 19.841,1402 0.691,1403 106,1404 334.103,1405 180.713,1406 360.409,1407 475.86,1408 334,1409 126,1410 317.217,1411 164.243,1412 334.348,1413 491.99,1414 315,1415 4}
{0 CHEMBL385269,1 1.594,2 13.029,3 3.403,4 11.579,5 127.717,6 7.493,7 0.459,8 4.23,9 4.343,10 3.794,11 3.714,12 5.364,13 3.714,14 4.767,15 4.933,16 4.126,17 4.087,18 5.851,19 4.07,20 4.97,21 5.148,22 4.289,23 4.241,24 6.112,25 4.213,26 5.048,27 5.233,28 4.271,29 4.249,30 6.172,31 4.219,32 5.12,33 5.319,34 4.228,35 4.261,36 6.305,37 4.206,38 5.111,39 5.328,40 4.085,41 4.233,42 6.198,43 4.138,44 5.122,45 5.379,46 3.928,47 4.087,48 6.201,49 3.989,50 4.912,51 5.169,52 3.789,53 3.876,54 6.028,55 3.785,56 0.109,57 0.893,58 12.716,59 5.652,60 10.26,61 7.125,62 0.469,63 1.377,64 24.983,65 9.049,66 37.936,67 11.893,68 0.676,69 1.679,70 30.922,71 10.971,72 58.957,73 14.893,74 0.644,75 1.789,76 33.821,77 11.03,78 60.126,79 14.984,80 1.098,81 1.817,82 38.141,83 11.904,84 103.081,85 16.32,86 0.712,87 1.778,88 37.597,89 12.753,90 69.247,91 17.853,92 0.835,93 1.647,94 41.336,95 12.052,96 106.572,97 17.292,98 0.901,99 1.343,100 33.666,101 9.57,102 97.001,103 13.96,104 35,105 51,106 0.256,107 0.596,108 0.744,109 0.806,110 0.829,111 0.85,112 3.56,113 0.899,114 -2.81,115 -2.82,116 -2.74,121 40.3,123 4,126 3,127 1,144 6,145 3,146 4,148 2,160 2,173 1,176 10,180 7,183 2,185 3,187 10,191 2,192 10,195 2,196 1,197 6,200 6,205 1,206 5,209 1,210 1,211 6,214 6,218 3,219 3,222 4,224 7,227 8,231 1,232 4,235 2,237 7,239 6,243 1,244 4,249 4,251 2,255 2,256 4,259 3,261 4,264 2,268 1,269 2,272 3,274 2,277 6,281 1992,282 23.386,283 23.386,284 23.386,285 23.386,286 23.386,287 21.128,288 24.138,289 13.732,290 24.02,291 18.061,292 18.061,293 18.061,294 18.061,295 18.061,296 14.218,297 20.117,298 6.216,299 18.75,300 4.36,301 2.238,302 1.315,303 0.924,304 0.783,305 0.649,306 4.256,311 1,312 1,313 955,314 4.183,318 370.644,322 288.92,325 1.851,326 38.478,329 1,330 0.67,331 1,332 1,333 0.5,334 1,335 1,336 0.88,337 75,338 443,339 4.641,340 3.634,341 6.83,342 4.208,343 3.227,344 4.564,345 1.937,346 11.349,347 3.165,348 4.454,349 3.526,350 6.547,351 4.052,352 3.094,353 4.141,354 1.057,355 10.344,356 2.972,357 3.931,358 3.35,359 5.982,360 3.605,361 2.622,362 3.438,363 0.86,364 8.37,365 2.551,366 3.914,367 3.31,368 5.957,369 3.524,370 2.532,371 3.277,372 0.86,373 8.302,374 2.512,375 3.654,376 2.666,377 5.389,378 3.351,379 2.35,380 2.921,381 0.86,382 6.754,383 2.341,384 3.485,385 2.555,386 5.19,387 3.08,388 2.11,389 2.773,390 0.131,391 6.118,392 2.038,393 3.355,394 2.314,395 5.022,396 2.972,397 2.061,398 2.604,400 6.02,401 1.867,402 2.937,403 2.095,404 4.298,405 2.515,406 1.527,407 2.141,409 3.927,410 1.507,411 2.866,412 1.78,413 4.116,414 2.442,415 1.474,416 1.917,418 3.329,419 1.415,420 2.601,421 1.624,422 3.892,423 2.345,424 1.347,425 1.633,427 3.311,428 1.343,429 2.488,430 1.449,431 3.671,432 2.242,433 1.247,434 1.487,436 2.902,437 1.24,438 2.166,439 1.438,440 3.594,441 2.032,442 1.108,443 1.151,445 2.541,446 1.024,447 2.136,448 1.35,449 3.558,450 1.903,451 1,452 1.097,454 2.173,455 0.886,456 1.756,457 1.241,458 3.095,459 1.506,460 0.527,461 0.612,463 1.206,464 0.511,465 1.615,466 0.99,467 2.865,468 1.27,469 0.396,470 0.452,472 0.603,473 0.342,474 15.767,475 0.464,476 0.708,477 0.021,478 43,479 1.265,480 21,481 0.618,482 22,483 0.647,484 30.438,485 0.895,486 37.633,487 0.607,488 36.275,489 1.067,490 8.748,491 0.257,492 7.802,493 0.229,494 0.137,496 0.349,501 0.8,502 1.264,503 0.779,504 1.153,505 0.587,506 0.985,507 1.064,508 1.045,509 0.858,510 0.892,511 0.685,512 0.843,513 0.816,514 1.164,515 0.854,516 1.028,517 0.922,518 0.961,519 1.115,520 1.213,521 1.069,522 1.122,523 1.181,524 1.078,525 1.08,526 1.02,527 1.133,528 1,529 0.779,530 1.059,531 0.896,532 1.204,533 1.113,534 1.219,535 0.947,536 1.212,537 1.203,538 0.969,539 1.052,540 0.934,541 1.723,542 0.957,543 0.996,544 0.874,545 0.976,546 0.856,547 1.544,548 0.9,549 6,550 0.169,551 4.222,552 2.438,553 2.484,554 1.333,555 0.628,556 0.356,557 0.34,558 0.241,559 17411,560 47381,561 2.059,562 45.2,563 6,564 17,567 3,568 2,572 1.758,573 1.925,574 3.61,575 0.84,577 1,582 98.848,583 1.594,584 3.716,585 4.639,586 5.03,587 5.171,588 5.305,589 2.95,590 4.043,591 5.067,592 3.847,593 2158.21,594 8.866,595 34304,600 369.16,601 1.419,602 5.016,603 0.162,604 0.005,605 0.083,606 0.042,607 0.045,608 0.026,609 0.015,610 0.01,611 0.011,612 0.008,613 0.407,614 0.33,615 0.88,616 0.865,617 184.044,618 -0.031,619 -0.038,620 0.05,621 -0.051,622 -0.023,623 0.008,624 -0.07,625 0.049,626 0.07,627 0.138,628 0.013,629 0.131,630 0.129,631 -0.077,632 0.079,633 -0.014,634 0.039,635 0.013,636 -0.083,637 -0.114,638 -0.115,639 -0.151,640 -0.117,641 -0.138,642 0.056,643 0.022,644 -0.145,645 -0.043,646 0.161,647 -0.121,648 0.009,649 -0.203,650 -0.149,651 -0.229,652 0.037,653 -0.224,654 -0.122,655 -0.058,656 -0.011,657 -0.003,658 -0.134,659 0.014,660 0.101,661 0.049,662 0.072,663 0.061,664 -0.009,665 0.06,666 2.11,667 5.654,668 0.588,669 32.27,670 1.01,671 1.129,672 1.583,673 2.504,674 0.652,675 3.638,676 3.951,677 4.263,678 4.533,679 4.796,680 4.852,681 4.934,682 4.956,683 5.004,684 4.905,685 8.012,686 0.629,687 464.57,688 3.638,689 5.176,690 6.038,691 6.921,692 7.803,693 8.692,694 9.581,695 10.473,696 11.365,697 12.259,698 6.5,703 1,705 2,708 1,714 2,715 6,716 1,720 7,722 17,729 1,739 3,741 62,743 19,744 2,745 37,747 65,748 25,749 15,750 6,751 6,752 1,756 4,757 7,767 4,770 4,772 17,773 8,777 2,782 2,786 2,790 1,793 28,794 9,795 3,796 9,802 4,806 1,808 0.5,809 5,822 1,829 4,833 2,859 2,864 3,868 34,876 5,877 3,878 3,893 8.1,896 2,898 3,901 17.667,902 12.033,903 7.778,904 3.579,907 3.353,908 1.418,909 0.971,910 7.753,911 11.382,912 3.882,913 4.477,914 5.092,915 5.674,916 6.265,917 6.557,918 6.874,919 7.096,920 7.37,921 7.259,922 1,923 58,924 12.6,926 5.312,927 0.026,929 7.819,931 23.801,933 19.126,936 2.319,937 78.833,941 294.278,942 143.492,943 70.573,945 83.29,948 143.492,949 377.567,950 70.573,951 32.649,952 48.143,953 56.857,954 94.373,955 65.332,957 294.278,959 294.278,960 214.065,961 83.29,964 294.278,965 83.29,968 53.044,969 126.347,970 34.674,972 294.278,973 153.862,974 143.492,977 294.278,978 53.985,979 89.507,980 53.787,981 100.075,982 294.278,983 153.862,984 143.492,986 0.57,987 0.354,988 0.2,989 0.115,990 23,991 11,992 0.123,993 8,994 2,995 1.2,996 4.414,997 314.292,998 0.2,999 20,1000 164.974,1005 24.11,1006 10.933,1007 5.236,1008 1.834,1009 153.862,1010 10.909,1011 4.798,1015 4.439,1017 53.787,1018 591.632,1019 47.5,1024 25.184,1028 -0.826,1031 62.647,1032 70.023,1034 0.268,1035 0.624,1036 0.779,1037 0.845,1038 0.869,1039 0.891,1040 5.119,1041 1.527,1042 6.019,1043 6.02,1044 4.635,1045 5.165,1046 2.635,1047 6.851,1048 4.571,1049 6.323,1050 1.474,1051 7.591,1052 3.927,1053 4.205,1054 5.075,1055 1.593,1056 7.818,1057 4.136,1058 7.643,1059 1.347,1060 9.267,1061 3.329,1062 6.244,1063 7.409,1064 3.242,1065 10.935,1066 6.131,1067 9.002,1068 1.247,1069 11.004,1070 3.311,1071 6.661,1072 8.159,1073 3.067,1074 12.734,1075 6.531,1076 10.395,1077 1.108,1078 12.781,1079 2.902,1080 8.146,1081 9.983,1082 4.234,1083 15.374,1084 7.987,1085 11.812,1086 1,1087 14.584,1088 2.541,1089 8.955,1090 11.118,1091 4.487,1092 17.514,1093 8.77,1094 13.247,1095 0.527,1096 16.406,1097 2.173,1098 10.225,1099 12.747,1100 5.418,1101 19.997,1102 10.017,1103 3.227,1104 0.396,1105 18.243,1106 1.206,1107 11.218,1108 14.07,1109 5.87,1110 22.284,1111 10.981,1112 3.094,1113 11.349,1114 20.09,1115 0.603,1116 12.405,1117 15.619,1118 6.679,1119 24.715,1120 12.146,1121 2.622,1122 10.344,1123 21.947,1124 4.564,1125 13.483,1126 17.032,1127 7.227,1128 27.067,1129 13.196,1130 2.532,1131 8.37,1132 23.811,1133 4.141,1134 14.643,1135 18.55,1136 7.971,1137 29.481,1138 14.332,1139 2.35,1140 8.302,1141 25.681,1142 3.438,1143 15.761,1144 20.008,1145 8.569,1146 31.864,1147 15.424,1148 2.11,1149 6.754,1150 27.556,1151 3.277,1152 16.912,1153 21.514,1154 9.278,1155 34.274,1156 16.553,1157 2.061,1158 6.118,1159 29.436,1160 2.921,1161 18.049,1162 22.995,1163 9.903,1164 36.673,1165 17.665,1166 16651,1167 27639,1168 24.561,1169 40.432,1170 54.299,1171 57.342,1172 57.512,1173 54.155,1174 54.32,1175 69.652,1176 11.41,1177 156.305,1178 52.394,1179 5.591,1180 5.634,1181 6.515,1182 5.249,1183 5.227,1184 7.564,1185 3.402,1186 18.88,1187 5.165,1188 17.686,1189 1.468,1190 1.55,1191 1.554,1192 1.464,1193 1.468,1194 1.882,1195 0.308,1196 4.224,1197 1.416,1198 4.113,1199 4.143,1200 4.074,1201 4.038,1202 7.434,1203 4.043,1204 3.956,1205 3.963,1206 3.924,1207 3.853,1208 7.424,1209 3.868,1210 3.733,1211 3.781,1212 3.619,1213 3.65,1214 4.986,1215 3.636,1216 3.648,1217 3.699,1218 3.575,1219 3.385,1220 4.952,1221 3.425,1222 3.385,1223 3.436,1224 3.318,1225 3.171,1226 4.58,1227 3.181,1228 3.303,1229 3.355,1230 3.146,1231 3.071,1232 4.461,1233 3.099,1234 3.264,1235 3.318,1236 3.144,1237 3.006,1238 4.42,1239 3.026,1240 3.209,1241 3.282,1242 3.018,1243 2.968,1244 4.298,1245 2.966,1246 0.125,1247 0.098,1248 0.185,1249 0.114,1250 0.087,1251 4.641,1252 0.123,1253 3.634,1254 0.052,1255 6.83,1256 0.307,1257 4.208,1258 0.086,1259 3.227,1260 4.564,1261 1.937,1262 11.349,1263 3.165,1264 2.069,1265 2.044,1266 2.154,1267 2.161,1268 1.432,1269 2.16,1270 1.887,1271 1.881,1272 1.956,1273 2.016,1274 1.145,1275 1.995,1276 1.754,1277 1.709,1278 1.949,1279 1.873,1280 1.083,1281 1.902,1282 1.528,1283 1.477,1284 1.706,1285 1.819,1286 0.833,1287 1.784,1288 1.297,1289 1.246,1290 1.59,1291 1.574,1292 0.756,1293 1.565,1294 1.227,1295 1.172,1296 1.572,1297 1.558,1298 0.621,1299 1.554,1300 1.218,1301 1.163,1302 1.545,1303 1.506,1304 0.584,1305 1.522,1306 1.162,1307 1.077,1308 1.484,1309 1.436,1310 0.575,1311 1.458,1312 4.317,1314 5.631,1316 7.16,1318 8.792,1320 10.482,1322 4.43,1328 3.808,1329 8.413,1330 15.844,1340 38.981,1341 98.848,1342 230.41,1343 287.611,1344 311.876,1345 320.631,1346 328.896,1347 71.191,1348 8.029,1349 110.81,1350 110.81,1351 24,1352 12.785,1353 4.322,1354 3.524,1355 57.145,1356 169,1357 140,1358 0.164,1359 238.89,1360 420.47,1361 574.651,1362 40157,1364 24.079,1365 0.708,1366 0.573,1367 24.079,1368 19.488,1369 16.55,1370 0.447,1371 0.3,1372 10.868,1373 15.701,1374 10.568,1375 8.806,1376 16.55,1377 11.089,1378 14.194,1379 0.278,1380 0.155,1381 14.194,1382 7.906,1383 12.496,1384 0.179,1385 0.083,1386 12.496,1387 5.833,1388 10.403,1389 0.113,1390 0.045,1391 10.403,1392 4.167,1393 8.887,1394 0.074,1395 0.025,1396 8.887,1397 3.027,1398 0.263,1399 105.569,1400 0.202,1401 31.657,1402 0.432,1403 176,1404 575.321,1405 196.28,1406 538.463,1407 729.93,1408 506,1409 209,1410 527.003,1411 230.392,1412 532.416,1413 777.29,1414 497,1415 7.287}
{0 CHEMBL385778,1 1.44,2 6.706,3 2.465,4 6.074,5 68.372,6 7.103,7 0.789,8 3.576,9 3.696,10 3.132,11 3.108,12 4.633,13 3.088,14 4.103,15 4.293,16 3.487,17 3.502,18 5.06,19 3.478,20 4.211,21 4.369,22 3.548,23 3.678,24 5.191,25 3.612,26 4.365,27 4.576,28 3.395,29 3.675,30 5.241,31 3.553,32 4.319,33 4.583,34 3.145,35 3.486,36 5.129,37 3.335,38 4.13,39 4.398,40 2.815,41 3.21,42 4.916,43 3.035,44 3.86,45 4.151,46 2.307,47 2.818,48 4.613,49 2.625,50 3.47,51 3.771,52 1.674,53 2.444,54 4.143,55 2.163,56 0.018,57 0.465,58 6.96,59 2.865,60 6.893,61 3.879,62 0.16,63 0.751,64 13.204,65 4.41,66 13.564,67 6.109,68 0.114,69 0.846,70 13.908,71 5.801,72 12.517,73 7.808,74 0.092,75 0.937,76 16.949,77 6.836,78 15.46,79 9.609,80 0.183,81 0.844,82 17.227,83 6.326,84 17.638,85 9.171,86 0.099,87 0.666,88 14.365,89 5.373,90 15.499,91 7.675,92 0.221,93 0.472,94 11.692,95 3.788,96 15.953,97 5.364,98 0.037,99 0.324,100 7.465,101 2.922,102 8.637,103 4.276,104 11,105 28,106 0.268,107 0.57,108 0.719,109 0.801,110 0.847,111 0.847,112 2.911,113 0.905,114 -2.78,115 -2.8,116 -2.71,121 43.8,126 3,144 4,145 2,146 1,147 2,154 2,176 4,180 5,187 4,189 1,192 5,194 1,200 4,203 1,206 1,214 2,216 1,218 1,219 1,227 1,229 2,241 1,246 1,281 247,282 11.525,283 11.525,284 11.525,285 11.525,286 11.525,287 9.773,288 10.638,289 6.544,290 11.908,291 9.293,292 9.293,293 9.293,294 9.293,295 9.293,296 6.583,297 9.651,298 3.023,299 9.804,300 3.56,301 1.939,302 1.133,303 0.696,304 0.446,305 0.446,306 3.584,311 1,312 1,313 245,314 2.121,317 21.918,318 60.486,321 87.575,325 1.017,326 5.533,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 36,338 114,339 4.82,340 3.372,341 7.017,342 4.312,343 3.343,344 4.932,345 0.86,346 11.978,347 3.243,348 3.982,349 2.799,350 5.792,351 3.504,352 2.553,353 3.636,355 7.84,356 2.429,357 3.682,358 2.463,359 5.612,360 3.225,361 2.302,362 3.132,364 7.019,365 2.124,366 3.482,367 2.121,368 5.197,369 3.004,370 2.046,371 2.899,373 6.284,374 1.951,375 3.236,376 1.926,377 4.91,378 2.763,379 1.816,380 2.535,382 5.472,383 1.711,384 2.585,385 1.128,386 3.874,387 2.087,388 1.094,389 1.626,391 2.836,392 1.085,393 2.272,394 1.097,395 3.594,396 1.832,397 0.88,398 1.188,400 2.123,401 0.834,402 1.607,403 0.847,404 2.851,405 1.313,406 0.443,407 0.5,409 0.686,410 0.382,411 1.215,412 0.01,413 2.662,414 0.833,415 -0.134,416 -0.171,418 -0.321,419 -0.129,420 0.848,421 -0.234,422 2.444,423 0.411,424 -0.528,425 -0.676,427 -1.136,428 -0.49,429 0.633,430 -0.645,431 2.33,432 0.173,433 -0.768,434 -1.026,436 -2.156,437 -0.713,438 0.586,439 -0.811,440 2.13,441 0.109,442 -0.861,443 -1.239,445 -2.588,446 -0.836,447 0.057,448 -1.054,449 1.744,450 -0.309,451 -1.244,452 -1.65,454 -3.382,455 -1.16,456 -0.187,457 -1.21,458 1.496,459 -0.56,460 -1.461,461 -1.815,463 -3.839,464 -1.301,465 -0.339,466 -1.502,467 1.325,468 -0.749,469 -1.656,470 -2.201,472 -4.665,473 -1.52,474 8.133,475 0.478,476 0.469,477 0.028,478 23,479 1.353,480 11.5,481 0.676,482 11.5,483 0.676,484 10.923,485 0.643,486 17.967,487 0.561,488 14.642,489 0.861,490 4.748,491 0.279,492 3.454,493 0.203,494 0.184,496 0.406,501 0.92,502 1.478,503 0.798,504 1.158,505 0.923,506 0.993,507 1.582,508 0.755,509 0.823,510 0.545,511 0.996,512 0.572,513 0.971,514 1.067,515 1.019,516 1.066,517 0.941,518 1.053,519 0.764,520 1.287,521 1.122,522 1.282,523 0.942,524 1.251,525 0.729,526 0.947,527 1.019,528 1.035,529 0.847,530 1.049,531 0.894,532 1.17,533 1.063,534 1.225,535 0.899,536 1.178,537 1.619,538 0.661,539 1.191,540 0.794,541 1.645,542 0.932,543 0.461,544 1.268,545 1.126,546 1.409,547 0.955,548 1.364,549 3.5,551 2.222,552 1.986,553 0.937,554 0.744,555 0.223,556 0.115,557 0.045,559 2103,560 4644,561 2.091,562 46.9,564 13,566 2,572 1.576,573 1.925,574 2.748,575 -0.807,577 1,578 1,579 1,582 46.094,583 1.44,584 3.061,585 3.867,586 4.304,587 4.554,588 4.554,589 2.207,590 3.852,591 4.057,592 2.784,593 378.605,594 6.89,595 3252.31,596 1,597 1,599 1,600 160,601 1.496,602 4.004,603 0.184,605 0.079,606 0.068,607 0.041,608 0.044,609 0.02,610 0.019,611 0.023,613 0.479,614 1,615 1,616 0.922,617 67.936,618 0.031,619 -0.338,620 0.094,621 -0.152,622 -0.052,623 -0.045,624 -0.231,625 0.364,626 0.159,627 0.398,628 0.024,629 0.342,630 -0.063,631 0.015,632 -0.117,633 -0.056,634 -0.081,635 -0.09,636 -0.049,637 -0.287,638 -0.207,639 -0.289,640 -0.143,641 -0.272,642 0.078,643 0.01,644 -0.054,645 -0.075,646 0.028,647 -0.075,648 0.016,649 -0.279,650 -0.085,651 -0.258,652 0.092,653 -0.195,654 -0.1,655 0.207,656 -0.133,657 0.131,658 -0.247,659 0.012,660 0.103,661 -0.449,662 -0.162,663 -0.431,664 -0.071,665 -0.347,666 0.766,667 1.79,668 0.765,669 9.446,670 0.993,671 1.122,672 1.554,673 2.414,674 0.669,675 2.996,676 3.367,677 3.714,678 4.043,679 4.331,680 4.431,681 4.543,682 4.585,683 4.394,684 4.174,685 3.915,686 0.631,687 227.31,688 2.996,689 4.554,690 5.442,691 6.358,692 7.272,693 8.196,694 9.119,695 10.047,696 10.972,697 11.902,698 6.3,706 1,708 1,714 4,715 6,720 1,721 2,722 15,739 1,741 32,743 15,744 1,745 19,747 34,748 14,749 11,750 3,751 3,756 3,757 6,772 11,773 3,790 1,793 15,794 1,796 3,802 2,803 1,808 0.333,809 1,822 1,824 1,828 1,829 2,832 2,859 1,864 3,868 17,878 1,893 3.1,898 1,901 8.833,902 6.867,903 3.722,904 1.835,907 3.24,908 1.488,909 1.019,910 2.331,911 9.874,912 3.314,913 4.065,914 4.814,915 5.555,916 6.226,917 6.686,918 7.183,919 7.627,920 7.768,921 7.945,922 0.8,923 29,924 6.241,926 2.592,927 0.026,929 7.49,931 12.186,933 9.974,936 1.99,937 33.833,938 0.003,941 176.567,942 98.353,943 3.798,945 11,948 98.353,949 187.566,950 3.798,951 27.676,953 37.905,954 25.441,955 41.383,956 4.288,957 153.024,959 176.567,960 102.151,961 11,964 176.567,965 11,968 19.994,969 80.258,970 1.899,972 176.567,973 14.798,974 98.353,977 176.567,978 14.678,979 87.474,981 11,982 176.567,983 14.798,984 98.353,986 0.59,987 0.364,988 0.204,989 0.122,990 16,991 7,992 0.029,993 1,994 2,995 1.308,996 2.86,997 128.167,998 0.308,999 13,1000 69.487,1005 10.599,1006 3.739,1007 1.516,1008 4.965,1009 11,1010 12.563,1015 0.901,1016 4.28,1018 289.718,1019 26.5,1031 31.774,1032 35.905,1034 0.288,1035 0.612,1036 0.773,1037 0.861,1038 0.911,1039 0.911,1040 4.551,1041 0.443,1042 5.46,1043 2.123,1044 4.043,1045 4.749,1046 0.908,1047 6.347,1048 3.951,1049 5.822,1050 -0.134,1051 7.067,1052 0.686,1053 3.761,1054 4.808,1056 7.387,1057 3.62,1058 7.181,1059 -0.528,1060 8.774,1061 -0.321,1062 5.707,1063 7.186,1064 0.739,1065 10.544,1066 5.543,1067 8.583,1068 -0.768,1069 10.539,1070 -1.136,1071 6.236,1072 8.083,1074 12.437,1075 6.032,1076 10.017,1077 -0.861,1078 12.342,1079 -2.156,1080 7.693,1081 9.961,1082 0.593,1083 15.142,1084 7.472,1085 11.478,1086 -1.244,1087 14.171,1088 -2.588,1089 8.6,1090 11.252,1092 17.4,1093 8.347,1094 12.959,1095 -1.461,1096 16.022,1097 -3.382,1098 9.881,1099 12.945,1100 0.469,1101 19.957,1102 9.61,1103 3.343,1104 -1.656,1105 17.89,1106 -3.839,1107 10.96,1108 14.414,1110 22.358,1111 10.66,1112 2.553,1113 11.978,1114 19.773,1115 -4.665,1116 12.182,1117 16.04,1118 0.366,1119 24.865,1120 11.86,1121 2.302,1122 7.84,1123 21.667,1124 4.932,1125 13.334,1126 17.584,1128 27.319,1129 12.984,1130 2.046,1131 7.019,1132 23.571,1133 3.636,1134 14.54,1135 19.187,1136 0.283,1137 29.81,1138 14.165,1139 1.816,1140 6.284,1141 25.483,1142 3.132,1143 15.723,1144 20.762,1146 32.282,1147 15.319,1148 1.094,1149 5.472,1150 27.402,1151 2.899,1152 16.926,1153 22.358,1154 0.217,1155 34.768,1156 16.495,1157 0.88,1158 2.836,1159 29.327,1160 2.535,1161 18.122,1162 23.945,1164 37.247,1165 17.661,1166 2116,1167 3215,1168 12.542,1169 21.415,1170 29.017,1171 29.383,1172 30.73,1173 28.92,1174 28.951,1175 40.897,1176 1.72,1177 88.475,1178 27.519,1179 5.375,1180 5.372,1181 6.563,1182 5.349,1183 5.343,1184 7.932,1185 1.72,1186 19.212,1187 5.243,1188 8.198,1189 1.527,1190 1.546,1191 1.617,1192 1.522,1193 1.524,1194 2.152,1195 0.091,1196 4.657,1197 1.448,1198 4.234,1199 4.266,1200 4.206,1201 4.144,1202 5.037,1203 4.155,1204 3.751,1205 3.799,1206 3.682,1207 3.614,1208 4.723,1209 3.624,1210 3.439,1211 3.505,1212 3.329,1213 3.202,1214 4.413,1215 3.222,1216 3.186,1217 3.27,1218 3.023,1219 3.008,1220 4.019,1221 3.002,1222 3.137,1223 3.218,1224 2.927,1225 2.894,1226 3.907,1227 2.887,1228 2.8,1229 2.879,1230 2.61,1231 2.666,1232 3.561,1233 2.643,1234 2.782,1235 2.874,1236 2.53,1237 2.609,1238 3.465,1239 2.577,1240 2.646,1241 2.727,1242 2.434,1243 2.495,1244 3.316,1245 2.471,1246 0.254,1247 0.177,1248 0.369,1249 0.227,1250 0.176,1251 4.82,1252 0.26,1253 3.372,1254 0.045,1255 7.017,1256 0.63,1257 4.312,1258 0.171,1259 3.343,1260 4.932,1261 0.86,1262 11.978,1263 3.243,1264 1.984,1265 1.964,1266 2.062,1267 2.097,1268 1.222,1269 2.086,1270 1.886,1271 1.843,1272 1.988,1273 2.032,1274 1.118,1275 2.024,1276 1.374,1277 1.297,1278 1.656,1279 1.649,1280 0.724,1281 1.652,1282 1.232,1283 1.163,1284 1.57,1285 1.505,1286 0.597,1287 1.527,1288 1.112,1289 1.022,1290 1.473,1291 1.347,1292 0.535,1293 1.395,1294 0.838,1295 0.764,1296 1.136,1297 1.032,1298 0.219,1299 1.074,1300 0.804,1301 0.719,1302 1.115,1303 1.014,1304 0.201,1305 1.055,1306 0.674,1307 0.616,1308 0.897,1309 0.836,1310 0.044,1311 0.862,1312 3.664,1314 5.017,1315 2.398,1316 6.583,1317 4.949,1318 8.245,1319 7.222,1320 9.957,1322 5.834,1330 5.29,1340 20.182,1341 46.094,1342 97.961,1343 123.735,1344 137.735,1345 145.735,1346 145.735,1347 15.07,1348 6.635,1349 18.04,1350 18.04,1351 17,1352 12.405,1353 4,1354 3.087,1355 23.565,1356 41,1357 42,1358 0.317,1359 124.367,1360 197.25,1361 295.216,1362 5341,1364 11.991,1365 0.705,1366 0.607,1367 11.991,1368 10.32,1369 8.203,1370 0.432,1371 0.302,1372 5.625,1373 7.836,1374 5.38,1375 4.534,1376 8.203,1377 5.733,1378 7.52,1379 0.269,1380 0.159,1381 7.52,1382 4.463,1383 6.759,1384 0.169,1385 0.084,1386 6.759,1387 3.37,1388 5.738,1389 0.102,1390 0.043,1391 5.738,1392 2.427,1393 4.969,1394 0.066,1395 0.024,1396 4.969,1397 1.78,1398 0.461,1399 51.651,1400 0.282,1401 16.492,1402 0.985,1403 94,1404 231.714,1405 101.042,1406 225.567,1407 322.7,1408 214,1409 115,1410 250.686,1411 123.181,1412 258.295,1413 378.92,1414 241,1415 5.886}
{0 CHEMBL385799,1 1.953,2 4.692,3 1.999,4 3.997,5 48.304,6 13.501,7 0.429,8 2.969,9 3.009,10 3.004,11 2.683,12 4.349,13 2.698,14 3.425,15 3.463,16 3.477,17 3.08,18 4.915,19 3.087,20 3.634,21 3.685,22 3.773,23 3.135,24 5.418,25 3.121,26 3.399,27 3.469,28 3.431,29 2.804,30 5.093,31 2.785,32 2.979,33 3.037,34 3.007,35 2.089,36 4.967,37 2.132,38 1.852,39 1.903,40 1.687,41 0.867,42 3.869,43 0.894,56 0.152,57 0.196,58 0.942,59 0.846,60 19.364,61 0.643,62 0.264,63 0.3,64 1.939,65 1.458,66 33.901,67 1.2,68 0.473,69 0.338,70 8.895,71 2.482,72 72.028,73 1.902,74 0.389,75 0.247,76 7.439,77 2.206,78 50.851,79 1.724,80 0.348,81 0.134,82 6.846,83 1.781,84 50.334,85 1.211,86 0.141,87 0.033,88 2.714,89 0.661,90 23.143,91 0.299,104 17,105 21,106 0.438,107 0.757,108 0.841,109 0.897,110 0.897,111 0.897,112 2.673,113 0.901,114 -3.36,115 -3.34,116 -3.2,121 50,144 2,145 1,146 3,159 1,160 1,176 1,180 1,183 1,185 2,187 3,191 1,192 1,195 1,197 1,200 5,206 3,211 1,214 1,219 4,224 1,232 1,281 120,282 8.345,283 8.345,284 8.345,285 8.345,286 8.345,287 7.304,288 10.174,289 4.613,290 8.558,291 6.826,292 6.826,293 6.826,294 6.826,295 6.826,296 5.167,297 14.338,298 2.137,299 7.283,300 2.047,301 0.625,302 0.25,306 3.295,308 2,312 1,313 125,314 1.732,317 22.065,318 27.181,321 41.667,325 0.686,326 22.721,329 1,330 0.83,331 1,332 0.4,334 1,335 1,336 0.75,337 29.167,338 61,339 4.607,340 3.915,341 6.91,342 4.243,343 3.266,344 4.277,345 1.058,346 11.466,347 3.197,348 3.899,349 3.332,350 5.842,351 3.456,352 2.535,353 3.284,355 7.708,356 2.291,357 3.361,358 2.844,359 5.278,360 2.934,361 1.962,362 2.633,364 6.042,365 1.818,366 3.101,367 2.466,368 4.808,369 2.662,370 1.704,371 2.267,373 4.921,374 1.586,375 2.546,376 2.133,377 3.878,378 2.017,379 1.044,380 1.403,382 2.648,383 0.955,384 1.523,385 0.937,386 2.806,387 1.036,388 0.231,389 0.277,391 0.509,392 0.143,393 1.229,394 0.791,395 2.557,396 0.701,397 -0.245,398 -0.355,400 -0.586,401 -0.213,402 0.711,403 0.156,404 2.344,405 0.247,406 -0.713,407 -0.922,409 -1.838,410 -0.567,411 0.202,412 -0.398,413 1.751,414 -0.238,415 -1.238,416 -1.562,418 -3.04,419 -0.957,420 -0.107,421 -1.024,422 1.501,423 -0.559,424 -1.392,425 -1.789,427 -4.041,428 -1.146,429 -0.172,430 -1.09,431 1.262,432 -0.721,433 -1.45,434 -2,436 -4.063,437 -1.506,438 -0.5,439 -1.533,440 1.246,441 -0.794,442 -1.786,443 -2.22,445 -5.576,446 -1.748,447 -0.58,448 -1.811,449 1.111,450 -0.983,451 -1.918,452 -2.293,454 -6.834,455 -1.853,456 -0.819,457 -2,458 0.706,459 -1,460 -2,461 -3,462 -1.058,463 -7.317,464 -2,474 6.495,475 0.5,476 0.477,477 0.037,478 18,479 1.385,480 9.5,481 0.731,482 8.5,483 0.654,484 7.598,485 0.584,486 13.305,487 0.832,488 10.617,489 0.817,490 3.597,491 0.277,492 2.512,493 0.193,494 0.323,496 0.462,501 0.666,502 0.969,503 0.468,504 0.537,505 0.579,506 0.527,507 0.663,508 1.144,509 0.568,510 0.72,511 0.653,512 0.757,513 0.91,514 1.011,515 0.841,516 0.827,517 0.881,518 0.933,519 1.157,520 1.075,521 1.353,522 1.283,523 1.064,524 1.266,525 1.519,526 0.877,527 1.709,528 1.737,529 1.725,530 1.488,531 2.492,532 0.067,533 2.582,534 1.709,535 2.965,536 1.699,549 3,551 2.222,552 1.667,553 0.884,554 0.278,559 867,560 4904,561 1.948,562 18.8,564 2,567 1,572 1.494,573 1.733,574 2.327,575 -0.053,582 31.245,583 1.953,584 3.375,585 3.75,586 4,587 4,588 4,589 1.738,590 2.777,591 3.678,592 2.302,593 179.527,594 6.132,595 1324.43,597 1,600 64,601 1.526,602 3.574,603 0.214,605 0.106,606 0.079,607 0.063,608 0.04,613 0.502,614 1,615 1,616 0.808,617 45.344,618 -0.084,619 0.059,620 -0.017,621 0.082,622 -0.047,623 0.086,624 0.004,625 -0.167,626 -0.004,627 -0.035,628 -0.022,629 -0.076,630 0.03,631 -0.078,632 0.102,633 0.118,634 0.061,635 0.005,636 -0.159,637 -0.175,638 -0.172,639 -0.229,640 -0.121,641 -0.158,642 -0.093,643 -0.037,644 -0.235,645 -0.424,646 -0.181,647 -0.196,648 -0.566,649 0.734,650 -0.771,651 -0.033,652 -0.698,653 -0.172,666 2.334,667 4.214,668 0.692,669 4.899,670 1.073,671 1.102,672 2.13,673 4.539,674 0.822,675 2.708,676 3.091,677 3.401,678 3.638,679 3.761,680 3.638,681 3.526,682 3.401,683 2.565,684 1.099,685 3.042,686 0.822,687 216.02,688 2.708,689 4.263,690 5.142,691 6.047,692 6.946,693 7.854,694 8.757,695 9.664,696 10.569,697 11.476,698 6.3,705 1,715 2,720 4,722 6,727 1,740 2,741 16,743 8,744 1,745 14,747 17,748 8,749 6,750 4,751 2,752 2,756 2,757 3,758 2,772 8,777 2,782 2,786 2,793 3,794 3,795 1,796 5,797 2,802 1,808 0.5,809 2,828 1,829 1,832 1,843 1,859 1,865 2,868 13,877 1,892 2,893 12.5,896 2,901 7.5,902 3.036,903 2.806,904 0.87,907 1.533,908 1.274,909 0.992,910 1.875,911 7.131,912 2.996,913 3.624,914 4.216,915 4.722,916 5.189,917 5.28,918 5.402,919 5.501,920 4.868,921 3.596,922 1,923 21,924 4.776,925 -0.003,926 2.158,927 0.026,929 8.479,931 8.437,932 -0.001,933 6.925,934 0.001,936 2.979,937 38.722,938 0.002,941 23.542,942 41.734,943 18.011,944 78.297,945 50.29,948 41.734,949 152.129,950 18.011,952 18.011,953 18.952,954 60.128,955 12.944,957 23.542,958 78.297,959 23.542,960 59.745,961 50.29,962 78.297,964 23.542,965 50.29,968 18.011,969 41.734,970 78.297,972 23.542,973 68.301,974 120.031,977 23.542,978 22.782,979 18.952,980 18.011,981 128.587,982 23.542,983 68.301,984 120.031,986 0.609,987 0.381,988 0.194,989 0.1,990 12,991 6,994 1,995 1.222,996 2.372,997 83.383,998 0.222,999 9,1000 48.106,1005 8.691,1006 2.805,1007 1.165,1009 68.301,1010 3.077,1015 0.983,1017 18.011,1018 211.874,1019 19,1024 22.147,1028 -1.304,1031 17.171,1032 17.636,1034 0.488,1035 0.844,1036 0.938,1037 1,1038 1,1039 1,1040 4.256,1041 -0.713,1042 5.187,1043 -0.586,1044 3.761,1045 4.304,1046 1.176,1047 6.08,1048 3.653,1049 5.51,1050 -1.238,1051 6.817,1052 -1.838,1053 3.611,1054 4.369,1056 7.149,1057 3.43,1058 6.86,1059 -1.392,1060 8.545,1061 -3.04,1062 5.442,1063 6.546,1064 1.255,1065 10.29,1066 5.278,1067 8.246,1068 -1.45,1069 10.325,1070 -4.041,1071 6.066,1072 7.369,1074 12.169,1075 5.852,1076 9.661,1077 -1.786,1078 12.139,1079 -4.063,1080 7.455,1081 9.101,1082 1.338,1083 14.859,1084 7.254,1085 11.099,1086 -1.918,1087 13.976,1088 -5.576,1089 8.408,1090 10.258,1092 17.074,1093 8.179,1094 12.553,1095 -2,1096 15.831,1097 -6.834,1098 9.65,1099 11.827,1100 1.422,1101 19.607,1102 9.421,1103 3.266,1105 17.7,1106 -7.317,1107 10.737,1108 13.138,1110 21.957,1111 10.49,1112 2.535,1113 11.466,1114 19.58,1116 11.932,1117 14.641,1118 1.51,1119 24.431,1120 11.677,1121 1.962,1122 7.708,1123 21.47,1124 4.277,1125 13.074,1126 16.024,1128 26.836,1129 12.802,1130 1.704,1131 6.042,1132 23.367,1133 3.284,1134 14.256,1135 17.499,1136 1.599,1137 29.288,1138 13.972,1139 1.044,1140 4.921,1141 25.271,1142 2.633,1143 15.42,1144 18.917,1146 31.714,1147 15.119,1148 0.231,1149 2.648,1150 27.18,1151 2.267,1152 16.6,1153 20.38,1154 1.69,1155 34.158,1156 16.283,1157 -0.245,1158 0.509,1159 29.093,1160 1.403,1161 17.774,1162 21.815,1164 36.592,1165 17.439,1166 956,1167 2317,1168 8.671,1169 13.153,1170 21.789,1171 24.118,1172 23.433,1173 21.552,1174 21.485,1175 28.283,1176 2.117,1177 66.588,1178 19.981,1179 5.427,1180 5.915,1181 6.204,1182 5.243,1183 5.266,1184 7.277,1185 2.117,1186 18.783,1187 5.197,1188 7.365,1189 1.556,1190 1.723,1191 1.674,1192 1.539,1193 1.535,1194 2.02,1195 0.151,1196 4.756,1197 1.427,1198 4.005,1199 4.015,1200 4.158,1201 3.931,1202 7.499,1203 3.935,1204 3.45,1205 3.452,1206 3.646,1207 3.274,1208 7.352,1209 3.303,1210 2.962,1211 2.985,1212 3.386,1213 2.856,1214 5.021,1215 2.841,1216 2.626,1217 2.609,1218 3.082,1219 2.472,1220 4.484,1221 2.486,1222 2.516,1223 2.539,1224 2.63,1225 2.126,1226 4.32,1227 2.201,1228 1.946,1229 1.985,1230 2.326,1231 1.663,1232 3.673,1233 1.609,1234 1.61,1235 1.666,1236 1.836,1237 1.271,1238 3.026,1239 1.262,1240 1.435,1241 1.5,1242 1.553,1243 1.123,1244 2.664,1245 1.084,1246 0.329,1247 0.28,1248 0.494,1249 0.303,1250 0.233,1251 4.607,1252 0.306,1253 3.915,1254 0.076,1255 6.91,1256 0.819,1257 4.243,1258 0.228,1259 3.266,1260 4.277,1261 1.058,1262 11.466,1263 3.197,1264 1.864,1265 1.856,1266 1.893,1267 1.921,1268 1.07,1269 1.927,1270 1.366,1271 1.364,1272 1.411,1273 1.649,1274 0.324,1275 1.575,1276 0.927,1277 0.9,1278 1.061,1279 1.13,1280 0.141,1281 1.116,1282 0.745,1283 0.728,1284 0.786,1285 0.863,1287 0.888,1290 0.381,1291 0.392,1293 0.37,1296 0.007,1297 0.304,1299 0.224,1312 3.367,1314 4.727,1315 2.398,1316 6.29,1317 4.844,1318 7.943,1319 7.018,1320 9.645,1323 11.436,1329 2.384,1340 13.16,1341 31.245,1342 54,1343 60,1344 64,1345 64,1346 64,1347 24.443,1348 5.598,1349 49.93,1350 49.93,1351 11,1352 11.994,1353 3.17,1354 2.585,1355 18.952,1356 24,1357 19,1358 0.447,1359 89.538,1360 157.14,1361 210.233,1362 1314,1363 12.5,1364 9.585,1365 0.737,1366 0.595,1367 10.585,1368 7.739,1369 6.109,1370 0.436,1371 0.3,1372 3.462,1373 5.367,1374 3.346,1375 2.716,1376 6.686,1377 4.203,1378 5.823,1379 0.277,1380 0.16,1381 6.527,1382 3.352,1383 5.221,1384 0.18,1385 0.089,1386 6.189,1387 2.581,1388 3.996,1389 0.108,1390 0.043,1391 4.561,1392 1.578,1393 3.029,1394 0.072,1395 0.023,1396 3.533,1397 0.969,1398 0.621,1399 44.568,1400 0.34,1401 12.487,1402 1.487,1403 70,1404 282.211,1405 107.411,1406 328.259,1407 412.64,1408 300,1409 85,1410 244.252,1411 120.831,1412 265.443,1413 394.78,1414 249,1415 4}
{0 CHEMBL385800,1 1.953,2 4.769,3 1.999,4 3.997,5 48.304,6 13.501,7 0.429,8 2.969,9 3.009,10 3.004,11 2.683,12 4.348,13 2.698,14 3.425,15 3.463,16 3.477,17 3.08,18 4.931,19 3.087,20 3.631,21 3.685,22 3.564,23 3.102,24 5.364,25 3.09,26 3.405,27 3.469,28 3.679,29 2.829,30 5.178,31 2.814,32 2.97,33 3.037,34 2.784,35 2.121,36 4.79,37 2.111,38 1.871,39 1.903,40 2.195,41 0.894,42 4.198,43 1.036,56 0.152,57 0.196,58 0.942,59 0.846,60 19.253,61 0.643,62 0.264,63 0.3,64 1.939,65 1.458,66 34.082,67 1.2,68 0.47,69 0.335,70 8.275,71 2.482,72 71.67,73 1.818,74 0.394,75 0.245,76 7.994,77 2.206,78 50.298,79 1.841,80 0.339,81 0.139,82 7.565,83 1.78,84 51.466,85 1.047,86 0.148,87 0.033,88 2.058,89 0.663,90 22.853,91 0.431,104 17,105 21,106 0.438,107 0.757,108 0.841,109 0.897,110 0.897,111 0.897,112 2.673,113 0.899,114 -3.36,115 -3.34,116 -3.2,121 50,144 2,145 1,146 3,159 1,160 1,180 1,183 1,185 2,187 7,191 1,192 1,195 1,206 4,211 3,214 3,219 2,232 2,281 111,282 8.293,283 8.293,284 8.293,285 8.293,286 8.293,287 7.28,288 11.209,289 4.637,290 8.545,291 6.869,292 6.869,293 6.869,294 6.869,295 6.869,296 5.201,297 16.621,298 2.183,299 7.332,300 2.047,301 0.625,302 0.25,306 3.295,308 2,312 1,313 127,314 1.732,317 22.065,318 27.181,321 41.667,325 0.746,326 22.627,329 1,330 0.83,331 1,332 0.4,334 1,335 1,336 0.75,337 29.167,338 62,339 4.584,340 3.908,341 6.855,342 4.229,343 3.244,344 4.24,345 1.058,346 11.299,347 3.194,348 3.835,349 3.183,350 5.591,351 3.391,352 2.439,353 3.229,355 7.108,356 2.283,357 3.376,358 2.869,359 5.131,360 2.926,361 2.033,362 2.638,364 5.997,365 1.777,366 3.199,367 2.608,368 4.931,369 2.752,370 1.798,371 2.417,373 5.374,374 1.623,375 2.657,376 2.296,377 4.143,378 2.156,379 1.188,380 1.542,382 3.197,383 1.06,384 1.385,385 0.853,386 2.73,387 0.865,388 -0.148,389 -0.208,391 -0.366,392 -0.115,393 1.12,394 0.45,395 2.601,396 0.654,397 -0.255,398 -0.348,400 -0.68,401 -0.23,402 0.706,403 0.254,404 2.342,405 0.207,406 -0.582,407 -0.687,409 -1.351,410 -0.34,411 0.325,412 -0.204,413 1.757,414 -0.161,415 -1.093,416 -1.412,418 -2.771,419 -0.993,420 -0.058,421 -1.005,422 1.458,423 -0.475,424 -1.409,425 -1.898,427 -4.067,428 -1.152,429 -0.228,430 -1.156,431 1.265,432 -0.749,433 -1.508,434 -2,436 -4.196,437 -1.506,438 -0.5,439 -1.526,440 1.196,441 -0.811,442 -1.789,443 -2.217,445 -5.636,446 -1.748,447 -0.58,448 -1.812,449 1,450 -0.983,451 -1.917,452 -2.297,454 -6.879,455 -1.853,456 -0.82,457 -2,458 1,459 -1,460 -2,461 -3,462 -1.058,463 -7.029,464 -2,474 6.495,475 0.5,476 0.494,477 0.038,478 18,479 1.385,480 9.5,481 0.731,482 8.5,483 0.654,484 7.521,485 0.579,486 13.305,487 0.832,488 10.623,489 0.817,490 3.582,491 0.276,492 2.51,493 0.193,494 0.323,496 0.462,501 0.666,502 0.969,503 0.468,504 0.537,505 0.581,506 0.527,507 0.663,508 1.144,509 0.568,510 0.72,511 0.632,512 0.757,513 1.071,514 1.019,515 1.222,516 1.058,517 0.98,518 1.168,519 0.849,520 1.119,521 0.838,522 1.117,523 0.911,524 1.052,525 2.098,526 0.786,527 2.109,528 1.564,529 2.134,530 1.615,531 0.96,532 0.07,533 1.258,534 1.55,535 1.736,536 0.67,549 3.5,551 1.778,552 1.917,553 0.804,554 0.334,559 875,560 5016,561 1.948,562 18.8,564 2,567 1,572 1.493,573 1.733,574 2.327,575 -0.053,582 31.245,583 1.953,584 3.375,585 3.75,586 4,587 4,588 4,589 1.826,590 3.547,591 3.677,592 2.335,593 182.168,594 6.127,595 1335.69,597 1,600 64,601 1.526,602 3.574,603 0.25,605 0.085,606 0.096,607 0.054,608 0.056,613 0.54,614 1,615 1,616 0.808,617 45.453,618 -0.084,619 0.059,620 -0.017,621 0.082,622 -0.049,623 0.086,624 0.004,625 -0.167,626 -0.004,627 -0.035,629 -0.076,630 -0.142,631 -0.087,632 -0.303,633 -0.129,634 -0.045,635 -0.246,636 0.169,637 -0.222,638 0.378,639 -0.052,640 0.042,641 0.07,642 -0.71,643 0.06,644 -0.662,645 -0.24,646 -0.617,647 -0.331,648 1.069,649 0.732,650 0.642,651 0.136,652 0.614,653 0.925,666 2.334,667 4.189,668 0.692,669 5.124,670 1.073,671 1.102,672 2.13,673 4.539,674 0.822,675 2.708,676 3.091,677 3.367,678 3.664,679 3.738,680 3.714,681 3.497,682 3.332,683 2.708,684 0.693,685 3.08,686 0.822,687 216.02,688 2.708,689 4.263,690 5.13,691 6.043,692 6.929,693 7.844,694 8.735,695 9.65,696 10.544,697 11.458,698 6.3,705 1,715 2,720 4,722 6,727 1,740 2,741 16,743 8,744 1,745 14,747 17,748 8,749 6,750 4,751 2,752 2,756 2,757 3,758 2,772 8,777 2,782 2,786 2,793 3,794 3,795 1,796 5,797 2,802 1,808 0.5,809 2,828 1,829 1,832 1,843 1,859 1,865 2,868 13,877 1,892 2,893 12.5,896 2,901 7.5,902 3.036,903 2.778,904 0.863,907 1.53,908 1.273,909 0.992,910 1.875,911 7.128,912 2.996,913 3.624,914 4.193,915 4.742,916 5.164,917 5.37,918 5.34,919 5.444,920 4.967,921 3.446,922 1,923 20,924 4.773,925 -0.003,926 2.151,927 0.026,929 8.479,931 8.437,932 -0.001,933 6.92,934 0.001,936 2.979,937 38.722,938 0.002,941 23.542,942 41.734,943 18.011,944 78.297,945 50.29,948 41.734,949 152.129,950 18.011,952 18.011,953 18.952,954 60.128,955 12.944,957 23.542,958 78.297,959 23.542,960 59.745,961 50.29,962 78.297,964 23.542,965 50.29,968 18.011,969 41.734,970 78.297,972 23.542,973 68.301,974 120.031,977 23.542,978 22.782,979 18.952,980 18.011,981 128.587,982 23.542,983 68.301,984 120.031,986 0.606,987 0.363,988 0.202,989 0.099,990 12,991 6,994 1,995 1.222,996 2.382,997 83.069,998 0.222,999 9,1000 48.106,1005 8.691,1006 2.805,1007 1.253,1009 68.301,1010 2.922,1015 1.174,1017 18.011,1018 211.874,1019 19,1024 22.121,1028 -1.282,1031 17.171,1032 17.636,1034 0.488,1035 0.844,1036 0.938,1037 1,1038 1,1039 1,1040 4.256,1041 -0.582,1042 5.176,1043 -0.68,1044 3.761,1045 4.304,1046 1.176,1047 6.057,1048 3.653,1049 5.51,1050 -1.093,1051 6.79,1052 -1.351,1053 3.611,1054 4.369,1056 7.081,1057 3.43,1058 6.856,1059 -1.409,1060 8.5,1061 -2.771,1062 5.425,1063 6.533,1064 1.255,1065 10.219,1066 5.275,1067 8.234,1068 -1.508,1069 10.263,1070 -4.067,1071 6.019,1072 7.325,1074 12.067,1075 5.843,1076 9.64,1077 -1.789,1078 12.06,1079 -4.196,1080 7.409,1081 9.06,1082 1.338,1083 14.752,1084 7.247,1085 11.068,1086 -1.917,1087 13.883,1088 -5.636,1089 8.34,1090 10.191,1092 16.953,1093 8.169,1094 12.513,1095 -2,1096 15.725,1097 -6.879,1098 9.582,1099 11.761,1100 1.422,1101 19.474,1102 9.412,1103 3.244,1105 17.584,1106 -7.029,1107 10.657,1108 13.053,1110 21.815,1111 10.48,1112 2.439,1113 11.299,1114 19.456,1116 11.85,1117 14.554,1118 1.51,1119 24.275,1120 11.667,1121 2.033,1122 7.108,1123 21.338,1124 4.24,1125 12.984,1126 15.923,1128 26.669,1129 12.791,1130 1.798,1131 5.997,1132 23.23,1133 3.229,1134 14.162,1135 17.393,1136 1.599,1137 29.107,1138 13.96,1139 1.188,1140 5.374,1141 25.128,1142 2.638,1143 15.321,1144 18.799,1146 31.52,1147 15.107,1148 -0.148,1149 3.197,1150 27.032,1151 2.417,1152 16.496,1153 20.255,1154 1.69,1155 33.95,1156 16.27,1157 -0.255,1158 -0.366,1159 28.94,1160 1.542,1161 17.664,1162 21.681,1164 36.37,1165 17.425,1166 963,1167 2346,1168 8.671,1169 13.153,1170 21.786,1171 23.962,1172 23.302,1173 21.622,1174 21.402,1175 28.131,1176 2.117,1177 65.951,1178 19.874,1179 5.404,1180 5.908,1181 5.855,1182 5.229,1183 5.244,1184 7.24,1185 2.117,1186 18.328,1187 5.194,1188 7.429,1189 1.556,1190 1.712,1191 1.664,1192 1.544,1193 1.529,1194 2.009,1195 0.151,1196 4.711,1197 1.42,1198 4.005,1199 4.015,1200 4.136,1201 3.93,1202 7.499,1203 3.934,1204 3.451,1205 3.452,1206 3.649,1207 3.276,1208 7.352,1209 3.305,1210 2.961,1211 2.985,1212 3.526,1213 2.856,1214 5,1215 2.841,1216 2.622,1217 2.609,1218 2.878,1219 2.474,1220 4.623,1221 2.488,1222 2.526,1223 2.538,1224 2.637,1225 2.135,1226 4.199,1227 2.212,1228 1.923,1229 1.986,1230 2.323,1231 1.507,1232 3.505,1233 1.492,1234 1.615,1235 1.665,1236 1.951,1237 1.443,1238 3.13,1239 1.344,1240 1.459,1241 1.501,1242 1.61,1243 1.153,1244 2.872,1245 1.162,1246 0.327,1247 0.279,1248 0.49,1249 0.302,1250 0.232,1251 4.584,1252 0.303,1253 3.908,1254 0.076,1255 6.855,1256 0.807,1257 4.229,1258 0.228,1259 3.244,1260 4.24,1261 1.058,1262 11.299,1263 3.194,1264 1.864,1265 1.856,1266 1.887,1267 1.92,1268 1.07,1269 1.926,1270 1.365,1271 1.364,1272 1.41,1273 1.648,1274 0.318,1275 1.574,1276 0.932,1277 0.899,1278 1.061,1279 1.129,1280 0.148,1281 1.114,1282 0.743,1283 0.729,1284 0.88,1285 0.886,1287 0.913,1290 0.259,1291 0.352,1293 0.322,1297 0.303,1299 0.209,1312 3.367,1314 4.727,1315 2.398,1316 6.279,1317 4.844,1318 7.923,1319 7.018,1320 9.618,1323 11.415,1329 2.371,1340 13.16,1341 31.245,1342 54,1343 60,1344 64,1345 64,1346 64,1347 24.007,1348 5.598,1349 49.93,1350 49.93,1351 11,1352 11.974,1353 3.17,1354 2.585,1355 18.972,1356 25,1357 20,1358 0.441,1359 89.538,1360 157.14,1361 210.233,1362 1313,1363 12.5,1364 9.585,1365 0.737,1366 0.595,1367 10.585,1368 7.739,1369 6.092,1370 0.435,1371 0.3,1372 3.456,1373 5.3,1374 3.338,1375 2.707,1376 6.67,1377 4.197,1378 5.963,1379 0.284,1380 0.164,1381 6.742,1382 3.437,1383 4.86,1384 0.174,1385 0.08,1386 5.406,1387 2.253,1388 4.299,1389 0.113,1390 0.047,1391 5.184,1392 1.775,1393 2.848,1394 0.069,1395 0.023,1396 3.275,1397 0.929,1398 0.616,1399 44.467,1400 0.34,1401 12.522,1402 1.454,1403 70,1404 282.211,1405 107.411,1406 328.361,1407 411.98,1408 300,1409 84,1410 243.252,1411 112.118,1412 264.443,1413 390.72,1414 248,1415 4}
{0 CHEMBL386000,1 1.613,2 5.4,3 1.327,4 1.762,5 52.887,6 8.467,7 0.375,8 3.294,9 3.38,10 2.958,11 2.872,12 4.559,13 2.879,14 3.8,15 3.933,16 3.346,17 3.226,18 5.083,19 3.227,20 4.016,21 4.171,22 3.468,23 3.256,24 5.569,25 3.289,26 3.919,27 4.041,28 3.331,29 3.137,30 5.573,31 3.179,32 3.823,33 3.949,34 3.021,35 2.936,36 5.509,37 2.936,38 3.609,39 3.795,40 2.222,41 2.595,42 4.961,43 2.479,44 3.16,45 3.445,46 1.23,47 2.066,48 4.119,49 1.814,50 2.473,51 2.862,52 0.331,53 1.304,54 2.833,55 0.959,56 0.06,57 0.324,58 3.482,59 2.135,60 11.616,61 2.351,62 0.195,63 0.525,64 7.284,65 3.496,66 25.37,67 4.194,68 0.386,69 0.602,70 10.922,71 4.071,72 71.058,73 4.699,74 0.371,75 0.53,76 9.208,77 3.52,78 71.709,79 3.476,80 0.384,81 0.441,82 8.906,83 3.482,84 82.269,85 3.421,86 0.322,87 0.345,88 8.41,89 2.954,90 67.541,91 3.1,92 0.175,93 0.223,94 6.358,95 2.076,96 34.511,97 2.837,98 0.065,99 0.109,100 3.817,101 1.119,102 11.501,103 1.909,104 19,105 23,106 0.325,107 0.653,108 0.785,109 0.852,110 0.869,111 0.869,112 2.799,113 0.876,114 -2.63,115 -2.65,116 -2.58,121 45.8,122 1,123 1,144 4,145 1,146 1,159 1,160 2,176 5,179 2,180 5,187 4,191 2,192 6,200 2,205 1,206 8,214 2,218 1,219 7,227 4,232 2,239 3,251 1,281 191,282 9.975,283 9.975,284 9.975,285 9.975,286 9.975,287 8.959,288 10.785,289 5.703,290 10.001,291 7.763,292 7.763,293 7.763,294 7.763,295 7.763,296 6.026,297 12.73,298 2.551,299 7.768,300 2.972,301 1.349,302 0.698,303 0.365,304 0.281,305 0.281,306 3.434,311 1,312 1,313 165,314 2.55,317 27.286,318 33.594,321 51.8,325 0.827,326 26.975,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 33.5,338 81,339 4.62,340 4.063,341 7.072,342 4.334,343 3.348,344 4.153,345 1.953,346 12.106,347 3.3,348 3.759,349 3.548,350 5.942,351 3.448,352 2.439,353 3.059,354 1.081,355 7.98,356 2.446,357 3.581,358 2.899,359 5.542,360 3.157,361 2.128,362 2.863,363 0.119,364 6.617,365 2.177,366 2.987,367 2.646,368 4.644,369 2.609,370 1.591,371 2.07,373 4.306,374 1.608,375 2.839,376 1.683,377 3.641,378 2.359,379 1.354,380 1.97,382 2.953,383 1.358,384 2.381,385 1.318,386 3.565,387 1.855,388 0.83,389 1.186,391 1.977,392 0.845,393 1.633,394 1.028,395 2.908,396 1.351,397 0.298,398 0.361,400 0.447,401 0.311,402 1.422,403 0.877,404 2.389,405 0.946,406 -0.148,407 -0.221,409 -0.302,410 -0.159,411 0.793,412 -0.018,413 2.194,414 0.33,415 -0.699,416 -0.957,418 -1.713,419 -0.712,420 0.564,421 -0.485,422 2,423 0.084,424 -0.922,425 -1.348,427 -2.247,428 -0.927,429 0.181,430 -0.827,431 1.483,432 -0.232,433 -1.328,434 -1.718,436 -2.939,437 -1.44,438 -0.106,439 -0.939,440 1.409,441 -0.34,442 -1.395,443 -2,445 -3.582,446 -1.493,447 -0.5,448 -1.31,449 1.258,450 -0.706,451 -1.703,452 -2,454 -5.217,455 -1.677,456 -0.517,457 -1.587,458 1.176,459 -0.931,460 -1.87,461 -2.193,462 -0.646,463 -5.879,464 -1.761,465 -0.757,466 -1.815,467 0.457,468 -0.964,469 -1.923,470 -2.225,471 -1.09,472 -7.079,473 -1.876,474 6.9,475 0.46,476 0.422,477 0.028,478 20.5,479 1.367,480 11,481 0.733,482 9.5,483 0.633,484 8.595,485 0.573,486 15.9,487 0.663,488 13.659,489 0.911,490 4.082,491 0.272,492 3.082,493 0.205,494 0.217,496 0.42,501 0.545,502 1.269,503 0.629,504 1.05,505 0.512,506 0.904,507 0.483,508 1.146,509 0.621,510 0.992,511 0.576,512 0.883,513 0.9,514 0.924,515 0.685,516 0.823,517 0.881,518 0.709,519 1.319,520 0.979,521 1.054,522 0.995,523 1.207,524 0.936,525 1.473,526 1.091,527 1.347,528 1.22,529 1.476,530 1.248,531 1.645,532 0.99,533 1.747,534 1.162,535 1.695,536 1.432,537 0.874,538 0.846,539 1.328,540 1.016,541 0.916,542 1.257,543 0.036,544 0.59,545 0.553,546 0.704,547 0.046,548 0.771,549 2.5,551 2.222,552 2.236,553 0.987,554 0.396,555 0.1,556 0.028,559 1289,560 4605,561 1.955,562 37.5,563 3,564 4,568 2,572 1.542,573 1.765,574 2.477,575 -0.716,579 1,582 38.701,583 1.613,584 3.236,585 3.887,586 4.22,587 4.304,588 4.304,589 1.909,590 3.64,591 3.878,592 2.511,593 263.706,594 6.551,595 2148.67,597 1,600 110.039,601 1.566,602 3.796,603 0.156,605 0.097,606 0.089,607 0.047,608 0.028,609 0.02,610 0.028,613 0.465,614 0.83,615 1,616 1.29,617 56.373,618 -0.02,619 -0.185,620 0.031,621 -0.063,622 -0.031,623 -0.019,624 0.166,625 -0.086,626 0.176,627 -0.03,628 0.011,629 0.04,630 0.093,631 0.088,632 0.263,633 0.112,634 0.086,635 0.215,636 -0.135,637 0.035,638 -0.141,639 -0.08,640 -0.01,641 -0.089,642 -0.165,643 -0.195,644 -0.373,645 -0.276,646 -0.083,647 -0.361,648 -0.421,649 -0.151,650 -0.68,651 -0.201,652 -0.401,653 -0.456,654 -0.079,655 -0.04,656 -0.141,657 -0.016,658 -0.129,659 -0.086,660 0.36,661 0.174,662 0.808,663 0.337,664 0.273,665 0.624,666 2.414,667 4.518,668 0.6,669 7.618,670 1.026,671 1.116,672 1.402,673 1.964,674 0.684,675 2.833,676 3.178,677 3.526,678 3.807,679 3.951,680 3.85,681 3.738,682 3.555,683 2.996,684 2.639,685 3.448,686 0.678,687 203.21,688 2.833,689 4.369,690 5.252,691 6.159,692 7.067,693 7.983,694 8.897,695 9.815,696 10.731,697 11.65,698 4.2,705 1,715 4,720 2,722 6,727 1,741 24,743 9,744 1,745 16,747 25,748 11,749 6,750 2,751 4,752 2,756 2,757 3,763 1,770 1,772 9,773 2,777 3,782 3,786 3,790 1,793 9,794 4,796 4,802 1,805 1,808 0.5,809 3,828 1,829 1,832 1,859 1,864 1,868 15,876 1,881 1,893 12.5,896 3,901 8.5,902 4.783,903 3.417,904 1.588,907 1.559,908 1.267,909 0.953,910 2.216,911 7.396,912 3.135,913 3.676,914 4.259,915 4.778,916 5.226,917 5.316,918 5.506,919 5.596,920 5.247,921 5.183,922 0.75,923 25,924 5.59,925 -0.001,926 2.481,927 0.026,929 8.356,931 10.066,933 8.127,936 2.856,937 42.833,938 0.002,941 105.94,942 69.75,943 3.124,945 75.435,948 69.75,949 181.375,950 3.124,951 8.825,952 5.659,953 37.905,954 89.978,955 5.942,957 105.94,959 105.94,960 72.874,961 75.435,964 105.94,965 75.435,968 14.484,969 58.39,972 105.94,973 78.559,974 69.75,977 105.94,978 23.02,979 49.855,981 75.435,982 105.94,983 78.559,984 69.75,986 0.584,987 0.379,988 0.213,989 0.114,990 12,991 6,992 0.04,993 1,994 1,995 1.222,996 2.568,997 101.43,998 0.222,999 9,1000 58.603,1005 9.751,1006 3.409,1007 1.306,1009 78.559,1010 6.523,1015 0.712,1018 254.249,1019 22,1024 34.488,1028 -1.7,1031 24.618,1032 26.787,1034 0.352,1035 0.706,1036 0.848,1037 0.92,1038 0.939,1039 0.939,1040 4.376,1041 -0.148,1042 5.273,1043 0.447,1044 3.85,1045 4.357,1046 2.263,1047 6.18,1048 3.85,1049 5.592,1050 -0.699,1051 6.903,1052 -0.302,1053 3.611,1054 4.248,1055 1.668,1056 7.306,1057 3.609,1058 6.918,1059 -0.922,1060 8.64,1061 -1.713,1062 5.525,1063 6.496,1064 3.114,1065 10.482,1066 5.5,1067 8.285,1068 -1.328,1069 10.437,1070 -2.247,1071 6.133,1072 7.196,1073 3.157,1074 12.448,1075 6.098,1076 9.687,1077 -1.395,1078 12.271,1079 -2.939,1080 7.566,1081 8.958,1082 4.217,1083 15.165,1084 7.505,1085 11.115,1086 -1.703,1087 14.132,1088 -3.582,1089 8.536,1090 10.029,1091 4.581,1092 17.46,1093 8.461,1094 12.565,1095 -1.87,1096 16.011,1097 -5.217,1098 9.809,1099 11.605,1100 5.448,1101 20.028,1102 9.713,1103 3.348,1104 -1.923,1105 17.904,1106 -5.879,1107 10.926,1108 12.853,1109 5.967,1110 22.449,1111 10.812,1112 2.439,1113 12.106,1114 19.808,1115 -7.079,1116 12.149,1117 14.35,1118 6.737,1119 24.968,1120 12.017,1121 2.128,1122 7.98,1123 21.722,1124 4.153,1125 13.321,1126 15.685,1127 7.331,1128 27.434,1129 13.173,1130 1.591,1131 6.617,1132 23.643,1133 3.059,1134 14.531,1135 17.144,1136 8.052,1137 29.936,1138 14.366,1139 1.354,1140 4.306,1141 25.57,1142 2.863,1143 15.725,1144 18.523,1145 8.683,1146 32.42,1147 15.544,1148 0.83,1149 2.953,1150 27.502,1151 2.07,1152 16.932,1153 19.965,1154 9.379,1155 34.917,1156 16.736,1157 0.298,1158 1.977,1159 29.438,1160 1.97,1161 18.134,1162 21.365,1163 10.029,1164 37.407,1165 17.922,1166 1404,1167 2722,1168 10.057,1169 16.415,1170 24.445,1171 27.041,1172 26.377,1173 23.964,1174 23.978,1175 31.324,1176 6.305,1177 72.772,1178 24.089,1179 5.501,1180 6.063,1181 6.75,1182 5.334,1183 5.348,1184 7.153,1185 3.369,1186 19.534,1187 5.3,1188 8.306,1189 1.528,1190 1.69,1191 1.649,1192 1.498,1193 1.499,1194 1.958,1195 0.394,1196 4.548,1197 1.506,1198 4.02,1199 4.038,1200 3.991,1201 3.919,1202 7.5,1203 3.931,1204 3.608,1205 3.655,1206 3.507,1207 3.44,1208 7.425,1209 3.447,1210 3.397,1211 3.418,1212 3.319,1213 3.21,1214 7.351,1215 3.232,1216 2.998,1217 3.043,1218 2.861,1219 2.798,1220 4.706,1221 2.801,1222 2.776,1223 2.831,1224 2.622,1225 2.536,1226 4.009,1227 2.55,1228 2.605,1229 2.613,1230 2.543,1231 2.417,1232 3.739,1233 2.443,1234 2.377,1235 2.401,1236 2.298,1237 1.96,1238 3.613,1239 2.04,1240 2.107,1241 2.19,1242 1.698,1243 1.673,1244 2.938,1245 1.683,1246 0.289,1247 0.254,1248 0.442,1249 0.271,1250 0.209,1251 4.62,1252 0.26,1253 4.063,1254 0.122,1255 7.072,1256 0.757,1257 4.334,1258 0.206,1259 3.348,1260 4.153,1261 1.953,1262 12.106,1263 3.3,1264 1.882,1265 1.859,1266 1.984,1267 1.969,1268 1.095,1269 1.974,1270 1.61,1271 1.567,1272 1.852,1273 1.827,1274 1.007,1275 1.825,1276 1.324,1277 1.309,1278 1.407,1279 1.577,1280 0.383,1281 1.533,1282 0.98,1283 0.933,1284 1.173,1285 1.224,1286 0.241,1287 1.204,1288 0.788,1289 0.73,1290 1.07,1291 0.981,1292 0.139,1293 1.017,1294 0.621,1295 0.572,1296 0.944,1297 0.915,1299 0.918,1300 0.072,1302 0.462,1303 0.509,1305 0.505,1308 0.3,1309 0.432,1311 0.338,1312 3.497,1314 4.828,1315 2.398,1316 6.382,1317 4.949,1318 8.032,1319 7.209,1320 9.733,1322 1.654,1328 0.202,1333 0.956,1340 16.273,1341 38.701,1342 77.675,1343 93.284,1344 101.284,1345 103.284,1346 103.284,1347 33.751,1348 5.838,1349 56.14,1350 56.14,1351 11,1352 12.159,1353 3.322,1354 2.807,1355 23.268,1356 31,1357 31,1358 0.415,1359 102.718,1360 184.77,1361 242.392,1362 1806,1364 11,1365 0.733,1366 0.546,1367 11,1368 8.188,1369 7.164,1370 0.448,1371 0.292,1372 4.607,1373 6.883,1374 4.499,1375 3.736,1376 7.164,1377 4.671,1378 6.293,1379 0.274,1380 0.141,1381 6.293,1382 3.234,1383 5.782,1384 0.175,1385 0.071,1386 5.782,1387 2.339,1388 4.662,1389 0.106,1390 0.036,1391 4.662,1392 1.593,1393 3.645,1394 0.071,1395 0.02,1396 3.645,1397 1.025,1398 0.587,1399 45.215,1400 0.315,1401 14.523,1402 1.36,1403 78,1404 292.852,1405 87.613,1406 275.796,1407 362.86,1408 254,1409 95,1410 256.134,1411 105.307,1412 255.298,1413 380.6,1414 241,1415 4}
{0 CHEMBL386053,1 1.456,2 10.269,3 3.797,4 14.414,5 95.488,6 6.82,7 0.214,8 4.052,9 4.163,10 3.526,11 3.537,12 5.086,13 3.511,14 4.653,15 4.823,16 3.897,17 3.973,18 5.709,19 3.91,20 4.949,21 5.171,22 3.92,23 4.122,24 5.869,25 4.015,26 5.065,27 5.306,28 3.896,29 4.101,30 6.063,31 4.002,32 5.025,33 5.265,34 3.901,35 4.08,36 6.053,37 3.979,38 5.061,39 5.296,40 3.887,41 4.05,42 6.279,43 3.947,44 4.952,45 5.209,46 3.638,47 3.988,48 5.934,49 3.841,50 4.852,51 5.13,52 3.52,53 3.876,54 5.734,55 3.713,56 0.048,57 0.709,58 12.262,59 5.443,60 8.867,61 7.072,62 0.429,63 1.172,64 23.771,65 9.305,66 56.558,67 12.608,68 0.272,69 1.477,70 32.399,71 11.944,72 48.229,73 16.922,74 0.642,75 1.538,76 38.186,77 11.546,78 100.429,79 16.764,80 0.534,81 1.485,82 36.268,83 11.606,84 76.119,85 16.731,86 0.986,87 1.447,88 38.661,89 11.658,90 157.404,91 16.579,92 0.632,93 1.347,94 33.992,95 11.096,96 91.304,97 16.018,98 0.474,99 1.207,100 30.535,101 10.398,102 66.523,103 15.191,104 24,105 39,106 0.246,107 0.544,108 0.731,109 0.852,110 0.859,111 0.859,112 3.304,113 1.011,114 -3.84,115 -3.8,116 -3.61,121 37.7,122 1,123 7,124 1,125 1,127 1,128 1,144 3,145 1,146 2,160 2,170 1,174 1,176 13,177 1,179 1,180 4,183 2,185 3,187 13,188 2,192 9,197 7,200 8,201 2,206 8,211 6,214 7,215 3,219 6,220 1,222 1,224 4,225 1,227 10,228 2,231 1,232 4,235 3,236 1,237 3,239 14,243 1,244 2,249 1,251 12,252 1,255 1,256 5,261 1,264 6,265 2,269 8,274 2,277 4,278 1,281 1044,282 17.499,283 17.499,284 17.499,285 17.499,286 17.499,287 16.476,288 21.658,289 10.343,290 17.681,291 13.737,292 13.737,293 13.737,294 13.737,295 13.737,296 12.038,297 29.993,298 4.728,299 14.003,300 4.272,301 2.515,302 1.412,303 0.693,304 0.656,305 0.656,306 3.98,310 1,311 1,312 1,313 565,314 4.301,317 152.949,318 78.336,321 124.34,325 1.521,326 36.505,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 57.5,338 267,339 4.56,340 4.023,341 7.626,342 4.503,343 3.499,344 3.925,345 2.341,346 13.89,347 3.508,348 4.288,349 3.711,350 6.193,351 3.894,352 2.94,353 3.665,354 1.909,355 9.255,356 2.8,357 3.838,358 3.314,359 5.903,360 3.655,361 2.652,362 2.997,363 1.392,364 8.063,365 2.645,366 3.583,367 2.767,368 5.274,369 3.282,370 2.308,371 2.882,372 0.561,373 6.713,374 2.235,375 3.072,376 2.596,377 4.866,378 2.793,379 1.786,380 2.096,381 0.532,382 4.727,383 1.786,384 2.886,385 2.025,386 4.366,387 2.477,388 1.534,389 2.023,391 4.206,392 1.439,393 2.654,394 1.992,395 3.962,396 2.444,397 1.439,398 1.607,400 3.139,401 1.43,402 2.308,403 1.771,404 3.618,405 2.27,406 1.277,407 1.3,409 2.705,410 1.265,411 2.214,412 1.369,413 3.604,414 2.104,415 1.107,416 1.19,418 2.458,419 1.102,420 1.89,421 1.182,422 3.466,423 1.769,424 0.772,425 0.822,427 1.509,428 0.763,429 1.82,430 1.015,431 3.303,432 1.618,433 0.618,434 0.675,436 1.464,437 0.618,438 1.618,439 0.768,440 3.059,441 1.55,442 0.571,443 0.618,445 1.272,446 0.552,447 1.536,448 0.618,449 2.95,450 1.244,451 0.286,452 0.337,454 0.677,455 0.271,456 0.745,457 0.428,458 2.52,459 0.673,460 -0.328,461 -0.329,463 -0.633,464 -0.328,465 0.682,466 0.045,467 2.462,468 0.398,469 -0.597,470 -0.73,472 -1.53,473 -0.588,474 12.067,475 0.464,476 0.634,477 0.024,478 26.25,479 1.01,480 10,481 0.385,482 16.25,483 0.625,484 27.635,485 1.063,486 30.533,487 0.576,488 18.647,489 0.717,490 4.566,491 0.176,492 7.972,493 0.307,494 0.124,495 0.041,496 0.249,501 0.785,502 1.322,503 0.87,504 1.243,505 0.646,506 1.095,507 0.654,508 1.113,509 0.902,510 1.104,511 0.443,512 1.061,513 0.717,514 1.282,515 0.938,516 1.226,517 0.784,518 1.144,519 1.208,520 0.988,521 1.077,522 0.928,523 1.455,524 0.96,525 1.001,526 1.047,527 0.987,528 1.024,529 1.194,530 1,531 1.147,532 0.904,533 1.059,534 0.91,535 1.483,536 0.962,537 0.94,538 0.91,539 1.052,540 0.944,541 1.195,542 1.007,543 0.646,544 0.905,545 0.87,546 0.957,547 0.783,548 0.958,549 6,550 0.112,551 3.556,552 1.632,553 1.493,554 0.917,555 0.492,556 0.316,557 0.271,558 0.141,559 7720,560 20387,561 2.027,562 50.9,563 17,564 5,565 2,567 2,568 1,572 1.692,573 1.891,574 3.333,575 0.251,577 1,582 77.15,583 1.456,584 3.213,585 4.316,586 5.034,587 5.072,588 5.072,589 2.749,590 4.085,591 4.674,592 3.508,593 1139.99,594 8.106,595 14347.8,597 1,599 1,600 303.58,601 1.542,602 4.619,603 0.214,604 0.006,605 0.091,606 0.043,607 0.041,608 0.025,609 0.014,610 0.012,611 0.011,612 0.006,613 0.465,614 0.33,615 1,616 1.423,617 127.273,618 -0.05,619 -0.035,620 0.036,621 -0.009,622 -0.029,623 0.026,624 0.165,625 0.039,626 0.033,627 0.017,628 0.164,630 -0.005,631 -0.232,632 -0.013,633 -0.171,634 -0.014,635 -0.107,636 -0.166,637 0.011,638 -0.079,639 0.017,640 -0.185,641 -0.006,642 -0.057,643 -0.045,644 -0.009,645 -0.055,646 -0.049,647 -0.025,648 0.04,649 0.047,650 -0.037,651 0.027,652 0.059,653 -0.019,654 -0.051,655 0.052,656 -0.084,657 0.019,658 -0.096,659 -0.029,660 0.071,661 0.029,662 0.07,663 0.013,664 -0.001,665 0.04,666 2.457,667 5.977,668 0.538,669 21.911,670 1.004,671 1.131,672 2.607,673 6.797,674 0.626,675 3.367,676 3.689,677 3.951,678 4.159,679 4.263,680 4.277,681 4.248,682 4.277,683 4.205,684 4.263,685 6.249,686 0.593,687 361.48,688 3.367,689 4.905,690 5.753,691 6.632,692 7.503,693 8.386,694 9.264,695 10.149,696 11.029,697 11.915,698 1.9,705 1,715 3,720 3,722 6,739 2,741 53,743 8,744 1,745 28,747 55,748 20,749 6,750 3,751 3,756 3,757 4,763 1,764 1,766 1,767 4,770 7,772 8,773 12,774 1,777 2,782 2,786 2,790 1,793 27,794 6,795 2,796 6,802 1,808 0.667,809 5,828 2,829 1,832 1,843 1,845 1,857 1,859 2,864 1,868 26,875 1,876 9,877 1,878 2,880 1,882 1,893 9.4,895 1,896 2,898 2,901 13.75,902 9.45,903 5.847,904 3.557,907 1.188,908 1.174,909 0.905,910 6.201,911 8.022,912 3.526,913 3.998,914 4.422,915 4.799,916 5.181,917 5.267,918 5.355,919 5.537,920 5.514,921 5.621,922 0.857,923 38,924 9.758,926 4.237,927 0.026,929 7.881,931 18.676,933 15.745,936 2.381,937 61.917,939 1,940 1,941 294.278,942 83.039,943 18.011,945 114.973,948 83.039,949 409.251,950 18.011,951 8.825,952 44.508,953 28.429,954 98.588,955 35.672,956 23.542,957 270.735,959 294.278,960 101.049,961 114.973,964 294.278,965 114.973,968 53.334,969 47.716,972 294.278,973 132.984,974 83.039,977 294.278,978 45.785,979 37.254,980 18.011,981 114.973,982 294.278,983 132.984,984 83.039,986 0.576,987 0.344,988 0.182,989 0.092,990 18,991 8,992 0.145,993 8,994 1,995 1.143,996 3.746,997 212.729,998 0.143,999 14,1000 118.211,1005 19.185,1006 8.404,1007 4.407,1009 132.984,1010 5.629,1015 2.358,1017 60.694,1018 510.3,1019 33,1024 24.549,1028 -0.809,1031 53.225,1032 59.943,1034 0.254,1035 0.561,1036 0.754,1037 0.879,1038 0.886,1039 0.886,1040 4.792,1041 1.277,1042 5.765,1043 3.139,1044 4.369,1045 4.682,1046 3.025,1047 6.629,1048 4.335,1049 5.967,1050 1.107,1051 7.368,1052 2.705,1053 4.111,1054 4.559,1055 2.591,1056 7.976,1057 4.075,1058 7.282,1059 0.772,1060 9.095,1061 2.458,1062 6.057,1063 6.712,1064 4.141,1065 11.027,1066 5.999,1067 8.636,1068 0.618,1069 10.903,1070 1.509,1071 6.686,1072 7.402,1073 4.392,1074 13.267,1075 6.636,1076 10.029,1077 0.571,1078 12.767,1079 1.464,1080 8.124,1081 9.079,1082 5.53,1083 15.964,1084 8.061,1085 11.446,1086 0.286,1087 14.672,1088 1.272,1089 9.113,1090 10.095,1091 6.093,1092 18.48,1093 9.062,1094 12.88,1095 -0.328,1096 16.606,1097 0.677,1098 10.393,1099 11.603,1100 7.058,1101 21.114,1102 10.34,1103 3.499,1104 -0.597,1105 18.562,1106 -0.633,1107 11.527,1108 12.768,1109 7.768,1110 23.71,1111 11.484,1112 2.94,1113 13.89,1114 20.535,1115 -1.53,1116 12.764,1117 14.203,1118 8.66,1119 26.337,1120 12.725,1121 2.652,1122 9.255,1123 22.52,1124 3.925,1125 13.958,1126 15.445,1127 9.441,1128 28.956,1129 13.928,1130 2.308,1131 8.063,1132 24.516,1133 3.665,1134 15.188,1135 16.844,1136 10.303,1137 31.584,1138 15.166,1139 1.786,1140 6.713,1141 26.519,1142 2.997,1143 16.408,1144 18.13,1145 11.118,1146 34.211,1147 16.394,1148 1.534,1149 4.727,1150 28.528,1151 2.882,1152 17.642,1153 19.51,1154 11.969,1155 36.841,1156 17.635,1157 1.439,1158 4.206,1159 30.542,1160 2.096,1161 18.874,1162 20.822,1163 12.801,1164 39.47,1165 18.875,1166 7568,1167 12421,1168 18.375,1169 33.176,1170 41.892,1171 43.217,1172 43.948,1173 41.578,1174 41.58,1175 48.275,1176 13.468,1177 120.155,1178 40.83,1179 5.532,1180 6.023,1181 7.388,1182 5.548,1183 5.499,1184 6.925,1185 3.925,1186 21.179,1187 5.508,1188 12.983,1189 1.496,1190 1.543,1191 1.57,1192 1.485,1193 1.485,1194 1.724,1195 0.481,1196 4.291,1197 1.458,1198 4.007,1199 4.039,1200 3.94,1201 3.901,1202 7.474,1203 3.904,1204 3.926,1205 3.948,1206 3.849,1207 3.831,1208 7.428,1209 3.83,1210 3.707,1211 3.759,1212 3.583,1213 3.569,1214 6.351,1215 3.56,1216 3.477,1217 3.528,1218 3.369,1219 3.237,1220 5.005,1221 3.258,1222 3.388,1223 3.443,1224 3.219,1225 3.18,1226 4.388,1227 3.18,1228 3.242,1229 3.27,1230 3.141,1231 2.98,1232 4.276,1233 3.015,1234 3.019,1235 3.071,1236 2.854,1237 2.806,1238 4.113,1239 2.807,1240 2.881,1241 2.979,1242 2.738,1243 2.671,1244 3.998,1245 2.648,1246 0.163,1247 0.144,1248 0.272,1249 0.161,1250 0.125,1251 4.56,1252 0.14,1253 4.023,1254 0.084,1255 7.626,1256 0.496,1257 4.503,1258 0.125,1259 3.499,1260 3.925,1261 2.341,1262 13.89,1263 3.508,1264 1.892,1265 1.869,1266 2.033,1267 2.011,1268 1.424,1269 2.015,1270 1.831,1271 1.797,1272 1.982,1273 1.954,1274 1.211,1275 1.966,1276 1.618,1277 1.564,1278 1.86,1279 1.794,1280 1.188,1281 1.814,1282 1.577,1283 1.507,1284 1.856,1285 1.751,1286 1.139,1287 1.793,1288 1.319,1289 1.266,1290 1.581,1291 1.584,1292 0.807,1293 1.577,1294 1.231,1295 1.175,1296 1.487,1297 1.523,1298 0.652,1299 1.498,1300 1.147,1301 1.107,1302 1.43,1303 1.471,1304 0.576,1305 1.465,1306 0.794,1307 0.753,1308 1.207,1309 1.172,1310 0.411,1311 1.149,1312 4.043,1314 5.361,1315 3.045,1316 6.87,1317 5.283,1318 8.471,1319 7.286,1320 10.122,1322 1.983,1327 9.501,1328 5.999,1329 3.031,1330 10.672,1332 -0.45,1334 -0.547,1340 31.444,1341 77.15,1342 170.311,1343 228.767,1344 266.825,1345 268.825,1346 268.825,1347 67.271,1348 6.834,1349 84.86,1350 84.86,1351 16,1352 12.448,1353 3.17,1354 2.585,1355 44.284,1356 96,1357 88,1358 0.222,1359 192.576,1360 348.33,1361 461.645,1362 7502,1364 18.571,1365 0.714,1366 0.587,1367 18.571,1368 15.254,1369 12.538,1370 0.448,1371 0.337,1372 9.305,1373 12.016,1374 9.101,1375 7.543,1376 12.538,1377 9.436,1378 11.175,1379 0.287,1380 0.189,1381 11.175,1382 7.386,1383 9.322,1384 0.183,1385 0.109,1386 9.322,1387 5.556,1388 7.395,1389 0.117,1390 0.066,1391 7.395,1392 4.129,1393 5.481,1394 0.078,1395 0.036,1396 5.481,1397 2.543,1398 0.347,1399 79.229,1400 0.233,1401 25.1,1402 0.611,1403 134,1404 411.425,1405 149.67,1406 380.517,1407 501.55,1408 354,1409 157,1410 349.902,1411 172.065,1412 349.726,1413 512.7,1414 327,1415 5.523}
{0 CHEMBL386541,1 1.753,2 8.36,3 2.66,4 7.073,5 100.426,6 8.398,7 0.393,8 3.92,9 4.023,10 3.743,11 3.558,12 4.926,13 3.496,14 4.51,15 4.656,16 4.064,17 4.006,18 5.746,19 3.936,20 4.842,21 5.022,22 4.154,23 4.214,24 5.874,25 4.117,26 4.95,27 5.172,28 4.212,29 4.253,30 5.902,31 4.122,32 4.98,33 5.2,34 4.158,35 4.231,36 6.036,37 4.097,38 4.966,39 5.212,40 4.068,41 4.109,42 6.02,43 3.96,44 4.742,45 4.989,46 3.825,47 3.899,48 5.919,49 3.72,50 4.49,51 4.73,52 3.496,53 3.579,54 5.641,55 3.396,56 0.1,57 0.685,58 10.973,59 4.528,60 19.195,61 5.374,62 0.3,63 1.142,64 21.12,65 8.547,66 56.117,67 10.485,68 0.369,69 1.523,70 29.058,71 10.856,72 66.385,73 13.587,74 0.388,75 1.705,76 35.855,77 12.851,78 65.349,79 16.437,80 0.449,81 1.715,82 38.551,83 13.538,84 76.146,85 16.494,86 0.55,87 1.549,88 38.533,89 12.788,90 90.657,91 16.405,92 0.529,93 1.239,94 38.514,95 11.444,96 87.455,97 14.117,98 0.437,99 0.874,100 27.579,101 8.28,102 74.745,103 9.735,104 39,105 44,106 0.301,107 0.67,108 0.836,109 0.877,110 0.877,111 0.877,112 3.269,113 1.127,114 -3.33,115 -3.31,116 -3.17,121 40,122 1,123 2,124 2,126 1,129 1,137 1,138 1,144 3,145 2,146 2,148 2,165 1,166 1,167 1,176 9,179 1,180 4,183 2,185 4,187 15,189 2,192 3,197 6,200 12,203 2,206 8,208 1,209 1,211 5,214 11,216 4,219 9,222 1,223 1,224 4,226 1,227 7,229 2,232 3,237 4,239 10,241 3,243 2,244 4,246 2,247 2,249 2,251 7,256 2,264 5,269 4,274 1,277 1,281 776,282 16.066,283 16.066,284 16.066,285 16.066,286 16.066,287 14.065,288 14.691,289 8.95,290 16.37,291 13.859,292 13.859,293 13.859,294 13.859,295 13.859,296 10.752,297 11.787,298 4.324,299 14.446,300 3.739,301 1.591,302 0.628,303 0.389,304 0.389,305 0.389,306 3.959,308 1,310 1,311 1,312 1,313 451,314 3.464,318 169.213,320 51.269,322 138.22,324 77.505,325 1.443,326 33.255,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 53.833,338 209,339 4.705,340 4.313,341 7.061,342 4.368,343 3.386,344 4.587,345 0.68,346 12.171,347 3.329,348 4.624,349 3.564,350 6.578,351 4.076,352 3.129,353 4.43,355 10.491,356 2.967,357 4.211,358 3.112,359 6.318,360 3.864,361 2.894,362 3.65,364 9.644,365 2.777,366 3.83,367 2.864,368 5.918,369 3.427,370 2.463,371 3.168,373 8.151,374 2.378,375 3.545,376 2.557,377 5.438,378 3.179,379 2.201,380 2.908,382 6.907,383 2.154,384 3.414,385 2.456,386 5.182,387 3.031,388 2.088,389 2.721,391 6.134,392 1.991,393 3.269,394 2.325,395 5,396 2.984,397 2.027,398 2.349,400 5.873,401 1.86,402 2.96,403 1.901,404 4.827,405 2.687,406 1.732,407 2.015,409 5.17,410 1.604,411 2.491,412 1.212,413 3.976,414 2.074,415 1.097,416 1.487,418 2.887,419 1.059,420 1.699,421 1.112,422 3.709,423 1.526,424 0.574,425 0.616,427 1.714,428 0.543,429 1.43,430 0.599,431 3.296,432 1.159,433 0.18,434 0.208,436 0.531,437 0.172,438 1.265,439 0.441,440 3,441 0.88,442 -0.07,443 -0.088,445 -0.188,446 -0.065,447 1.005,448 0.277,449 2.779,450 0.6,451 -0.275,452 -0.337,454 -0.694,455 -0.197,456 1,457 0.098,458 2.645,459 0.379,460 -0.606,461 -0.632,463 -1.627,464 -0.586,465 0.649,466 -0.264,467 2.395,468 0.236,469 -0.71,470 -0.868,472 -2.228,473 -0.641,474 12.414,475 0.497,476 1.032,477 0.041,478 30.25,479 1.21,480 14.5,481 0.58,482 15.75,483 0.63,484 25.362,485 1.014,486 27.186,487 0.604,488 21.633,489 0.865,490 5.199,491 0.208,492 6.527,493 0.261,494 0.224,495 0.067,496 0.403,501 0.542,502 1.174,503 0.709,504 1.07,505 0.719,506 0.871,507 0.502,508 1.143,509 0.816,510 1.025,511 0.421,512 0.904,513 1.1,514 1.125,515 0.911,516 0.925,517 1.037,518 1.045,519 0.705,520 1.091,521 0.813,522 0.966,523 0.632,524 0.999,525 0.961,526 1.039,527 0.929,528 1.055,529 1.004,530 1.047,531 1.073,532 0.952,533 0.726,534 0.844,535 1.216,536 0.938,537 0.818,538 0.965,539 1.214,540 1.142,541 0.708,542 1.047,543 1.698,544 0.817,545 1.183,546 0.896,547 1.816,548 1.027,549 7.5,550 0.087,551 2.889,552 2.563,553 2.724,554 1.361,555 1.071,556 0.411,557 0.287,558 0.126,559 6022,560 18784,561 2.048,562 44.4,563 5,564 8,567 3,568 2,569 2,572 1.688,573 1.84,574 3.035,575 1.005,576 1,577 1,582 78.881,583 1.753,584 3.9,585 4.864,586 5.103,587 5.103,588 5.103,589 2.565,590 4.054,591 4.613,592 3.171,593 951.191,594 8.023,595 10734.5,597 1,599 1,600 247.133,601 1.735,602 4.53,603 0.268,604 0.017,605 0.066,606 0.056,607 0.061,608 0.032,609 0.032,610 0.015,611 0.018,612 0.013,613 0.577,614 0.5,615 1,616 1.051,617 116.301,618 0.059,619 0.035,620 0.141,621 0.009,622 -0.164,623 0.086,624 0.245,625 -0.045,626 -0.007,627 -0.029,628 0.315,629 0.056,630 -0.208,631 -0.083,632 -0.147,633 -0.049,634 -0.17,635 -0.118,636 0.002,637 -0.056,638 0.009,639 -0.026,640 -0.008,641 -0.031,642 -0.073,643 -0.009,644 -0.076,645 -0.078,646 -0.06,647 -0.086,648 -0.053,649 -0.035,650 0.1,651 0.063,652 -0.097,653 0.034,654 0.142,655 -0.007,656 -0.076,657 -0.092,658 0.198,659 -0.038,660 -0.3,661 0.063,662 -0.103,663 0.065,664 -0.275,665 -0.059,666 4.221,667 4.866,668 0.68,669 18.925,670 1.007,671 1.123,672 2.1,673 4.408,674 0.695,675 3.367,676 3.807,677 4.078,678 4.477,679 4.844,680 5.05,681 5.257,682 5.434,683 5.561,684 5.642,685 5.044,686 0.65,687 377.93,688 3.367,689 4.977,690 5.855,691 6.801,692 7.708,693 8.656,694 9.576,695 10.523,696 11.451,697 12.398,698 6.7,700 1,702 1,708 1,714 2,715 3,716 1,720 4,722 11,733 1,740 1,741 45,743 14,744 1,745 28,747 48,748 18,749 9,750 3,751 3,756 4,757 10,758 1,763 1,767 3,768 2,770 3,772 11,773 7,774 2,777 3,780 1,782 2,784 1,786 1,789 1,790 1,793 20,794 5,795 3,796 7,797 2,802 3,808 0.25,809 2,822 1,829 4,831 1,833 2,835 1,849 1,850 1,859 1,862 1,864 2,865 1,868 25,869 1,872 1,876 2,877 1,880 3,892 1,893 4.4,896 2,901 13.583,902 8.51,903 5.069,904 2.594,907 2.911,908 1.367,909 1.015,910 3.928,911 10.842,912 3.624,913 4.337,914 4.82,915 5.474,916 6.115,917 6.556,918 7.007,919 7.47,920 7.875,921 8.097,922 0.833,923 46,924 9.469,926 4.427,927 0.026,929 7.868,931 17.899,933 16.049,936 2.368,937 59.194,940 1,941 200.109,942 84.899,943 66.088,944 39.149,945 44.313,947 5.807,948 79.092,949 283.57,950 66.088,951 16.016,952 5.069,953 93.015,954 61.098,955 20.102,957 200.109,958 39.149,959 200.109,960 145.18,961 44.313,962 44.956,964 176.567,965 67.855,968 35.2,969 83.718,970 71.218,972 200.109,973 110.401,974 124.048,976 5.807,977 200.109,978 25.171,979 53.921,980 16.405,981 133.144,982 200.109,983 110.401,984 124.048,986 0.613,987 0.332,988 0.194,989 0.126,990 25,991 12,992 0.042,993 2,994 4,995 1.412,996 3.439,997 231.375,998 0.471,999 16,1000 114.096,1004 1,1005 16.984,1006 5.782,1007 2.976,1008 1.656,1009 110.401,1010 5.514,1011 4.805,1015 3.259,1017 49.302,1018 434.557,1019 36.5,1022 -3.305,1024 23.731,1026 2.169,1028 1.266,1031 45.313,1032 50.515,1034 0.319,1035 0.71,1036 0.886,1037 0.929,1038 0.929,1039 0.929,1040 4.94,1041 1.732,1042 5.932,1043 5.873,1044 4.489,1045 5.024,1046 0.655,1047 6.853,1048 4.414,1049 6.225,1050 1.097,1051 7.563,1052 5.17,1053 4.443,1054 5.286,1056 8.044,1057 4.299,1058 7.611,1059 0.574,1060 9.291,1061 2.887,1062 6.24,1063 7.393,1064 0.356,1065 11.112,1066 6.107,1067 9.025,1068 0.18,1069 11.072,1070 1.714,1071 6.889,1072 8.365,1074 13.027,1075 6.696,1076 10.466,1077 -0.07,1078 12.887,1079 0.531,1080 8.278,1081 10.08,1082 0.18,1083 15.695,1084 8.087,1085 11.924,1086 -0.275,1087 14.724,1088 -0.188,1089 9.227,1090 11.35,1092 17.92,1093 8.993,1094 13.397,1095 -0.606,1096 16.577,1097 -0.694,1098 10.476,1099 12.932,1100 0.087,1101 20.454,1102 10.234,1103 3.386,1104 -0.71,1105 18.444,1106 -1.627,1107 11.559,1108 14.333,1110 22.816,1111 11.285,1112 3.129,1113 12.171,1114 20.321,1115 -2.228,1116 12.762,1117 15.866,1118 0.041,1119 25.306,1120 12.474,1121 2.894,1122 10.491,1123 22.207,1124 4.587,1125 13.904,1126 17.325,1128 27.731,1129 13.594,1130 2.463,1131 9.644,1132 24.101,1133 4.43,1134 15.094,1135 18.841,1136 0.019,1137 30.21,1138 14.769,1139 2.201,1140 8.151,1141 26.001,1142 3.65,1143 16.265,1144 20.327,1146 32.665,1147 15.92,1148 2.088,1149 6.907,1150 27.906,1151 3.168,1152 17.454,1153 21.837,1154 0.009,1155 35.144,1156 17.095,1157 2.027,1158 6.134,1159 29.816,1160 2.908,1161 18.638,1162 23.335,1164 37.616,1165 18.263,1166 5870,1167 10468,1168 17.918,1169 31.284,1170 43.678,1171 45.449,1172 45.466,1173 43.775,1174 43.543,1175 56.279,1176 1.36,1177 139.341,1178 41.669,1179 5.658,1180 6.313,1181 6.347,1182 5.412,1183 5.386,1184 7.587,1185 1.36,1186 19.854,1187 5.329,1188 15.144,1189 1.56,1190 1.623,1191 1.624,1192 1.563,1193 1.555,1194 2.01,1195 0.049,1196 4.976,1197 1.488,1198 4.152,1199 4.177,1200 4.716,1201 4.087,1202 7.718,1203 4.081,1204 3.966,1205 3.96,1206 4.133,1207 3.924,1208 6.999,1209 3.845,1210 3.82,1211 3.812,1212 3.864,1213 3.775,1214 5.158,1215 3.693,1216 3.472,1217 3.516,1218 3.58,1219 3.389,1220 4.898,1221 3.381,1222 3.271,1223 3.343,1224 3.205,1225 3.138,1226 4.617,1227 3.125,1228 3.138,1229 3.214,1230 3.061,1231 2.983,1232 4.429,1233 2.971,1234 2.989,1235 3.074,1236 2.925,1237 2.836,1238 4.075,1239 2.829,1240 2.793,1241 2.908,1242 2.799,1243 2.615,1244 3.955,1245 2.601,1246 0.168,1247 0.154,1248 0.252,1249 0.156,1250 0.121,1251 4.705,1252 0.164,1253 4.313,1254 0.024,1255 7.061,1256 0.435,1257 4.368,1258 0.119,1259 3.386,1260 4.587,1261 0.68,1262 12.171,1263 3.329,1264 2.098,1265 2.075,1266 2.178,1267 2.185,1268 1.537,1269 2.19,1270 1.895,1271 1.874,1272 1.993,1273 1.989,1274 1.173,1275 2.011,1276 1.681,1277 1.713,1278 1.692,1279 1.814,1280 0.971,1281 1.884,1282 1.467,1283 1.427,1284 1.607,1285 1.602,1286 0.91,1287 1.632,1288 1.266,1289 1.207,1290 1.495,1291 1.462,1292 0.763,1293 1.476,1294 1.135,1295 1.064,1296 1.41,1297 1.352,1298 0.556,1299 1.387,1300 0.968,1301 0.904,1302 1.218,1303 1.213,1304 0.365,1305 1.226,1306 0.794,1307 0.698,1308 1.153,1309 1.101,1310 0.222,1311 1.141,1312 4.043,1314 5.451,1316 7.047,1318 8.744,1320 10.501,1322 3.297,1323 6.098,1326 6.517,1328 1.449,1329 2.829,1332 -0.092,1340 29.25,1341 78.881,1342 175.518,1343 218.869,1344 229.624,1345 229.624,1346 229.624,1347 53.25,1348 7.93,1349 85.08,1350 93.46,1351 24,1352 12.893,1353 3.907,1354 3.248,1355 35.6,1356 76,1357 80,1358 0.244,1359 184.134,1360 317.18,1361 441.047,1362 27773,1363 2.2,1364 17.93,1365 0.717,1366 0.626,1367 18.68,1368 15.655,1369 11.726,1370 0.419,1371 0.376,1372 8.375,1373 10.409,1374 7.891,1375 6.487,1376 12.942,1377 10.518,1378 12.439,1379 0.283,1380 0.213,1381 14.23,1382 9.371,1383 9.219,1384 0.159,1385 0.106,1386 9.905,1387 6.127,1388 8.643,1389 0.099,1390 0.061,1391 9.391,1392 5.317,1393 7.754,1394 0.062,1395 0.035,1396 8.575,1397 4.378,1398 0.362,1399 84.878,1400 0.236,1401 23.3,1402 0.738,1403 144,1404 383.825,1405 198.827,1406 428.399,1407 570.97,1408 392,1409 174,1410 376.318,1411 230.308,1412 426.715,1413 619.4,1414 398,1415 7.393}
{0 CHEMBL388551,1 1.45,2 17.632,3 5.914,4 34.98,5 157.589,6 7.002,7 0.5,8 4.402,9 4.538,10 3.919,11 3.963,12 5.366,13 3.911,14 4.98,15 5.178,16 4.27,17 4.385,18 5.884,19 4.298,20 5.274,21 5.517,22 4.325,23 4.531,24 6.118,25 4.408,26 5.32,27 5.578,28 4.26,29 4.512,30 6.158,31 4.372,32 5.3,33 5.566,34 4.169,35 4.482,36 6.082,37 4.323,38 5.322,39 5.6,40 4.166,41 4.446,42 6.134,43 4.277,44 5.274,45 5.558,46 4.083,47 4.379,48 6.055,49 4.199,50 5.176,51 5.45,52 3.972,53 4.28,54 6.009,55 4.108,56 0.072,57 1.111,58 17.172,59 7.08,60 9.062,61 10.066,62 0.26,63 1.832,64 32.828,65 12.213,66 24.216,67 17.739,68 0.369,69 2.258,70 47.37,71 16.366,72 41.033,73 23.791,74 0.562,75 2.324,76 49.766,77 16.578,78 53.644,79 24.323,80 0.353,81 2.237,82 47.499,83 17.068,84 41.166,85 24.922,86 0.57,87 2.197,88 50.494,89 17.224,90 56.387,91 25.197,92 0.39,93 2.03,94 50.743,95 16.909,96 47.918,97 24.417,98 0.541,99 1.834,100 48.737,101 14.85,102 57.813,103 21.138,104 10,105 57,106 0.223,107 0.541,108 0.736,109 0.852,110 0.881,111 0.893,112 3.667,113 1.022,114 -4.68,115 -4.59,116 -4.32,121 40.8,123 8,126 1,127 4,144 7,145 4,146 2,148 2,153 1,154 1,160 1,176 13,180 7,183 1,185 8,187 17,192 4,197 6,200 12,206 5,209 3,211 7,214 15,219 1,224 2,227 12,231 1,232 5,235 1,236 1,237 4,239 12,244 5,249 2,251 5,255 1,256 7,260 1,261 2,264 6,269 2,277 5,281 3014,282 26.12,283 26.12,284 26.12,285 26.12,286 26.12,287 23.496,288 28.441,289 15.795,290 26.574,291 20.784,292 20.784,293 20.784,294 20.784,295 20.784,296 16.674,297 32.076,298 7.55,299 21.54,300 4.798,301 2.721,302 1.453,303 0.694,304 0.51,305 0.431,306 4.377,308 1,312 1,313 1485,314 4.528,317 101.754,318 424.958,321 188.167,322 344.896,325 2.657,326 25.681,329 0.75,330 0.67,331 0.67,332 0.7,333 0.5,334 0.67,335 0.5,336 0.64,337 79.833,338 670,339 4.651,340 3.58,341 6.833,342 4.214,343 3.235,344 4.582,345 1.907,346 11.364,347 3.165,348 4.524,349 3.373,350 6.526,351 4.049,352 3.062,353 4.473,354 0.8,355 10.265,356 3.022,357 3.99,358 3.127,359 6.004,360 3.58,361 2.61,362 3.534,363 0.4,364 8.477,365 2.532,366 3.669,367 2.943,368 5.427,369 3.396,370 2.412,371 2.961,372 0.149,373 6.886,374 2.387,375 3.584,376 2.71,377 5.173,378 3.295,379 2.349,380 2.872,382 6.287,383 2.195,384 3.392,385 2.56,386 5.038,387 3.183,388 2.245,389 2.706,391 6.089,392 2.09,393 3.375,394 2.267,395 4.975,396 2.977,397 1.987,398 2.699,400 5.76,401 1.965,402 3.356,403 2.192,404 4.899,405 2.879,406 1.979,407 2.376,409 5.573,410 1.704,411 3.046,412 1.766,413 4.183,414 2.544,415 1.568,416 2.318,418 3.762,419 1.527,420 2.705,421 1.668,422 4.121,423 2.518,424 1.546,425 1.756,427 3.477,428 1.501,429 2.657,430 1.546,431 3.943,432 2.428,433 1.439,434 1.724,436 3.339,437 1.416,438 2.55,439 1.435,440 3.65,441 2.317,442 1.349,443 1.551,445 3.072,446 1.301,447 2.488,448 1.423,449 3.6,450 2.249,451 1.256,452 1.487,454 2.904,455 1.245,456 2.376,457 1.3,458 3.565,459 2.182,460 1.187,461 1.367,463 2.755,464 1.179,465 2.155,466 1.097,467 3.385,468 1.874,469 0.906,470 1.03,472 2.157,473 0.868,474 18.548,475 0.488,476 0.763,477 0.02,478 44.25,479 1.164,480 20,481 0.526,482 24.25,483 0.638,484 39.969,485 1.052,486 41.452,487 0.545,488 32.094,489 0.845,490 8.194,491 0.216,492 10.387,493 0.273,494 0.083,496 0.291,501 0.794,502 1.333,503 0.765,504 1.049,505 0.579,506 0.996,507 0.858,508 1.162,509 0.835,510 0.99,511 0.563,512 0.992,513 1.065,514 1.088,515 0.939,516 0.981,517 0.996,518 0.977,519 1.093,520 0.947,521 0.94,522 0.951,523 1.087,524 0.997,525 0.9,526 1.083,527 0.855,528 1.026,529 0.883,530 1.044,531 0.879,532 0.957,533 0.848,534 0.956,535 1.028,536 0.983,537 1.027,538 1.003,539 0.997,540 0.997,541 1.033,542 0.975,543 1.555,544 0.876,545 1.309,546 0.984,547 1.725,548 0.998,549 6,550 0.173,551 4,552 2.417,553 1.813,554 0.778,555 0.757,556 0.409,557 0.347,558 0.212,559 30045,560 67767,561 2.129,562 50,563 8,564 18,565 1,567 3,568 4,570 4,572 1.778,573 2.036,574 3.99,575 0.712,582 110.232,583 1.45,584 3.527,585 4.795,586 5.554,587 5.738,588 5.817,589 3.359,590 5.09,591 5.226,592 4.276,593 3005.98,594 9.145,595 56871.9,600 474.842,601 1.226,602 5.198,603 0.143,604 0.006,605 0.07,606 0.042,607 0.035,608 0.017,609 0.017,610 0.01,611 0.01,612 0.006,613 0.355,614 0.17,615 0.63,616 0.427,617 219.472,618 -0.027,619 -0.094,620 0.036,621 0.002,622 0.009,623 0.029,624 0.004,625 -0.017,626 0.011,627 0.01,628 0.078,629 0.001,630 -0.079,631 -0.05,632 -0.011,634 -0.049,635 0.005,636 -0.029,637 0.086,638 -0.048,639 -0.004,640 -0.061,641 -0.038,642 -0.042,643 -0.09,644 -0.016,645 -0.061,646 -0.017,647 -0.063,648 0.121,649 0.006,650 0.046,651 -0.001,652 0.051,653 -0.013,654 -0.012,655 -0.078,656 0.034,657 -0.016,658 0.027,659 0.009,660 -0.152,661 0.068,662 -0.129,663 -0.006,664 -0.168,665 -0.033,666 1.545,667 5.324,668 0.605,669 48.402,670 0.989,671 1.128,672 3.445,673 11.869,674 0.662,675 3.761,676 4.06,677 4.331,678 4.605,679 4.836,680 4.905,681 5.024,682 5.124,683 5.112,684 5.011,685 10.508,686 0.613,687 532.19,688 3.761,689 5.293,690 6.138,691 7.008,692 7.873,693 8.753,694 9.629,695 10.515,696 11.398,697 12.288,698 6.6,701 1,703 1,705 1,706 1,708 1,714 4,715 8,716 1,717 1,720 5,722 21,734 1,740 1,741 76,743 22,744 2,745 42,747 80,748 31,749 17,750 5,751 7,756 5,757 9,758 1,767 4,770 8,772 18,773 13,777 1,782 1,786 1,793 38,794 5,795 3,796 7,797 1,802 5,808 0.4,809 1,822 1,824 1,828 1,829 4,832 1,833 2,843 1,855 1,859 2,864 1,865 1,868 38,876 12,877 2,881 1,892 1,893 1.3,896 1,901 18.667,902 13.626,903 8.417,904 5.001,907 4.059,908 1.482,909 1.006,910 9.211,911 12.48,912 3.998,913 4.593,914 5.199,915 5.82,916 6.375,917 6.704,918 7.069,919 7.42,920 7.523,921 7.424,922 1,923 58,924 14.118,926 5.94,927 0.026,929 7.507,931 27.961,933 23.471,936 2.007,937 76.278,941 411.989,942 142.001,943 72.717,944 39.149,945 25.145,948 142.001,949 476.282,950 72.717,951 8.396,952 46.71,953 75.381,954 64.646,955 42.585,956 13.915,957 400.217,958 39.149,959 411.989,960 214.718,961 25.145,962 39.149,964 364.904,965 72.229,968 71.521,969 108.401,970 73.945,972 411.989,973 97.862,974 181.149,977 411.989,978 58.223,979 86.902,980 52.807,981 81.079,982 411.989,983 97.862,984 181.149,986 0.572,987 0.33,988 0.183,989 0.102,990 26,991 11,992 0.15,993 12,994 3,995 1.261,996 5.111,997 348.739,998 0.261,999 23,1000 199.421,1005 26.988,1006 12.969,1007 6.897,1008 4.488,1009 81.076,1010 16.285,1011 4.92,1012 3.281,1015 5.806,1017 52.807,1018 691,1019 53.5,1024 12.324,1028 0.122,1031 75.181,1032 85.703,1034 0.232,1035 0.565,1036 0.767,1037 0.889,1038 0.918,1039 0.931,1040 5.227,1041 1.979,1042 6.098,1043 5.76,1044 4.745,1045 5.281,1046 2.12,1047 6.887,1048 4.679,1049 6.413,1050 1.568,1051 7.636,1052 5.573,1053 4.205,1054 5.121,1055 1.668,1056 7.758,1057 4.092,1058 7.714,1059 1.546,1060 9.278,1061 3.762,1062 6.304,1063 7.526,1064 2.932,1065 10.89,1066 6.19,1067 9.057,1068 1.439,1069 10.988,1070 3.477,1071 6.635,1072 8.273,1073 3.047,1074 12.669,1075 6.492,1076 10.439,1077 1.349,1078 12.742,1079 3.339,1080 8.162,1081 10.141,1082 4.042,1083 15.314,1084 8.012,1085 11.85,1086 1.256,1087 14.529,1088 3.072,1089 8.92,1090 11.307,1091 4.412,1092 17.461,1093 8.752,1094 13.283,1095 1.187,1096 16.34,1097 2.904,1098 10.212,1099 12.963,1100 5.251,1101 19.948,1102 10.033,1103 3.235,1104 0.906,1105 18.17,1106 2.755,1107 11.18,1108 14.322,1109 5.75,1110 22.246,1111 10.986,1112 3.062,1113 11.364,1114 20.014,1115 2.157,1116 12.378,1117 15.892,1118 6.501,1119 24.68,1120 12.17,1121 2.61,1122 10.265,1123 21.87,1124 4.582,1125 13.446,1126 17.336,1127 7.068,1128 27.04,1129 13.221,1130 2.412,1131 8.477,1132 23.734,1133 4.473,1134 14.61,1135 18.87,1136 7.771,1137 29.457,1138 14.37,1139 2.349,1140 6.886,1141 25.607,1142 3.534,1143 15.725,1144 20.352,1145 8.374,1146 31.846,1147 15.466,1148 2.245,1149 6.287,1150 27.485,1151 2.961,1152 16.879,1153 21.872,1154 9.051,1155 34.259,1156 16.603,1157 1.987,1158 6.089,1159 29.368,1160 2.872,1161 18.016,1162 23.371,1163 9.674,1164 36.662,1165 17.72,1166 27580,1167 41610,1168 28.72,1169 50.285,1170 61.856,1171 63.223,1172 63.161,1173 61.949,1174 61.717,1175 79.005,1176 6.512,1177 172.206,1178 59.522,1179 5.624,1180 5.58,1181 6.54,1182 5.256,1183 5.235,1184 7.582,1185 3.306,1186 18.902,1187 5.165,1188 14.988,1189 1.473,1190 1.505,1191 1.504,1192 1.475,1193 1.469,1194 1.881,1195 0.155,1196 4.1,1197 1.417,1198 4.142,1199 4.175,1200 4.132,1201 4.064,1202 7.429,1203 4.068,1204 4.099,1205 4.129,1206 4.075,1207 4.027,1208 5.04,1209 4.031,1210 3.79,1211 3.863,1212 3.779,1213 3.662,1214 4.966,1215 3.648,1216 3.736,1217 3.78,1218 3.659,1219 3.6,1220 4.685,1221 3.602,1222 3.662,1223 3.723,1224 3.545,1225 3.489,1226 4.346,1227 3.491,1228 3.518,1229 3.587,1230 3.42,1231 3.375,1232 4.31,1233 3.362,1234 3.395,1235 3.464,1236 3.336,1237 3.216,1238 4.205,1239 3.224,1240 3.297,1241 3.369,1242 3.256,1243 3.16,1244 4.145,1245 3.15,1246 0.111,1247 0.085,1248 0.163,1249 0.1,1250 0.077,1251 4.651,1252 0.109,1253 3.58,1254 0.045,1255 6.833,1256 0.271,1257 4.214,1258 0.075,1259 3.235,1260 4.582,1261 1.907,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.148,1267 2.158,1268 1.435,1269 2.158,1270 1.941,1271 1.918,1272 2.042,1273 2.02,1274 1.291,1275 2.028,1276 1.751,1277 1.71,1278 1.979,1279 1.965,1280 1.242,1281 1.974,1282 1.748,1283 1.681,1284 1.926,1285 1.876,1286 1.169,1287 1.893,1288 1.677,1289 1.62,1290 1.878,1291 1.862,1292 1.122,1293 1.877,1294 1.559,1295 1.488,1296 1.812,1297 1.761,1298 1.04,1299 1.781,1300 1.373,1301 1.308,1302 1.622,1303 1.632,1304 0.773,1305 1.63,1306 1.278,1307 1.22,1308 1.52,1309 1.508,1310 0.743,1311 1.526,1312 4.443,1314 5.746,1315 2.398,1316 7.244,1317 4.727,1318 8.841,1319 6.823,1320 10.499,1322 2.157,1323 6.251,1328 11.473,1329 6.824,1333 2.347,1340 46.605,1341 110.232,1342 268.054,1343 364.436,1344 422.088,1345 436.088,1346 442.088,1347 65.472,1348 8.421,1349 73.05,1350 73.05,1351 29,1352 12.818,1353 4.524,1354 3.644,1355 59.837,1356 248,1357 212,1358 0.112,1359 288.193,1360 492.06,1361 694.95,1362 78866,1363 1.3,1364 26.321,1365 0.693,1366 0.606,1367 26.821,1368 23.041,1369 18.581,1370 0.442,1371 0.341,1372 13.841,1373 17.82,1374 13.493,1375 11.157,1376 18.869,1377 14.312,1378 16.353,1379 0.287,1380 0.191,1381 16.761,1382 10.864,1383 13.617,1384 0.182,1385 0.104,1386 13.879,1387 7.814,1388 11.446,1389 0.116,1390 0.058,1391 11.68,1392 5.693,1393 9.409,1394 0.075,1395 0.033,1396 9.641,1397 4.066,1398 0.189,1399 117.703,1400 0.187,1401 35.847,1402 0.278,1403 198,1404 468.228,1405 224.698,1406 493.157,1407 676.27,1408 464,1409 231,1410 479.429,1411 252.411,1412 499.418,1413 730.31,1414 473,1415 8.538}
{0 CHEMBL388575,1 1.482,2 14.515,3 6.259,4 39.169,5 134.799,6 7.436,7 0.568,8 4.214,9 4.341,10 3.786,11 3.813,12 5.218,13 3.769,14 4.776,15 4.952,16 4.156,17 4.24,18 5.742,19 4.161,20 5.08,21 5.318,22 4.225,23 4.362,24 5.976,25 4.255,26 5.07,27 5.305,28 4.175,29 4.303,30 6.039,31 4.197,32 5.035,33 5.276,34 4.027,35 4.267,36 5.927,37 4.138,38 5.048,39 5.299,40 3.971,41 4.263,42 5.881,43 4.1,44 5.047,45 5.319,46 3.834,47 4.218,48 5.79,49 4.017,50 4.945,51 5.222,52 3.691,53 4.085,54 5.703,55 3.875,56 0.051,57 0.894,58 12.92,59 5.679,60 7.353,61 7.771,62 0.165,63 1.491,64 24.856,65 10.187,66 20.832,67 14.184,68 0.264,69 1.882,70 38.811,71 13.834,72 36.36,73 19.503,74 0.471,75 1.877,76 38.107,77 12.778,78 52.458,79 18.038,80 0.336,81 1.781,82 35.806,83 12.712,84 44.781,85 17.833,86 0.366,87 1.741,88 37.636,89 13.792,90 44.114,91 19.304,92 0.303,93 1.656,94 41.207,95 14.715,96 40.408,97 20.541,98 0.351,99 1.459,100 40.309,101 13.419,102 43.21,103 18.725,104 5,105 51,106 0.236,107 0.581,108 0.741,109 0.856,110 0.892,111 0.902,112 3.531,113 0.995,114 -4.95,115 -4.85,116 -4.55,121 43.5,123 7,127 2,144 7,145 4,146 2,148 2,153 1,154 1,160 1,176 13,180 5,183 1,185 8,187 16,192 4,197 7,200 10,206 5,209 2,210 1,211 8,214 11,219 3,224 3,227 12,232 3,236 1,237 3,239 17,244 1,249 1,251 14,256 1,259 1,261 4,264 11,274 3,277 5,281 1904,282 22.897,283 22.897,284 22.897,285 22.897,286 22.897,287 20.336,288 19.322,289 13.823,290 23.238,291 18.318,292 18.318,293 18.318,294 18.318,295 18.318,296 14.305,297 18.741,298 6.599,299 18.901,300 4.472,301 2.308,302 1.304,303 0.581,304 0.355,305 0.29,306 4.245,308 1,312 1,313 1072,314 3.808,317 77.985,318 331.495,321 145.256,322 269.809,325 1.921,326 24.058,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 69.333,338 479,339 4.651,340 3.596,341 6.833,342 4.214,343 3.235,344 4.582,345 1.058,346 11.364,347 3.165,348 4.577,349 3.373,350 6.679,351 4.126,352 3.134,353 4.511,354 0.4,355 10.751,356 3.107,357 3.99,358 2.943,359 6.004,360 3.58,361 2.61,362 3.534,364 8.477,365 2.532,366 3.766,367 2.884,368 5.623,369 3.378,370 2.382,371 3.14,373 7.241,374 2.363,375 3.584,376 2.562,377 5.427,378 3.192,379 2.252,380 2.961,382 6.886,383 2.103,384 3.365,385 2.272,386 4.899,387 2.888,388 1.985,389 2.699,391 5.573,392 1.799,393 3.048,394 1.907,395 4.498,396 2.803,397 1.82,398 2.32,400 4.306,401 1.702,402 3.012,403 1.761,404 4.121,405 2.544,406 1.562,407 2.17,409 3.73,410 1.531,411 2.822,412 1.666,413 4.024,414 2.513,415 1.542,416 1.846,418 3.485,419 1.495,420 2.657,421 1.545,422 3.957,423 2.431,424 1.44,425 1.7,427 3.374,428 1.419,429 2.543,430 1.437,431 3.729,432 2.277,433 1.292,434 1.55,436 3.129,437 1.267,438 2.49,439 1.43,440 3.591,441 2.248,442 1.255,443 1.489,445 2.84,446 1.244,447 2.348,448 1.172,449 3.551,450 2.026,451 1.052,452 1.318,454 2.536,455 1.02,456 2.035,457 1.113,458 3.284,459 1.852,460 0.872,461 0.982,463 2.013,464 0.845,465 1.944,466 0.802,467 3.066,468 1.516,469 0.558,470 0.713,472 1.27,473 0.531,474 16.148,475 0.489,476 0.64,477 0.019,478 41,479 1.242,480 20,481 0.606,482 21,483 0.636,484 31.386,485 0.951,486 34.852,487 0.562,488 28.5,489 0.864,490 7.48,491 0.227,492 8.723,493 0.264,494 0.065,496 0.31,501 0.756,502 1.182,503 0.703,504 0.937,505 0.559,506 0.904,507 0.69,508 1.203,509 0.78,510 1.025,511 0.53,512 1.01,513 0.913,514 1.078,515 0.845,516 0.939,517 0.79,518 0.904,519 1.128,520 1.03,521 0.907,522 0.966,523 1.175,524 0.984,525 1.236,526 1.016,527 0.921,528 0.972,529 1.262,530 1.036,531 0.959,532 0.975,533 0.94,534 1.043,535 1.093,536 1.101,537 0.899,538 0.968,539 1.104,540 1.078,541 0.941,542 1.099,543 0.921,544 0.943,545 1.297,546 1.11,547 0.892,548 1.09,549 4.5,550 0.102,551 3.556,552 2.319,553 1.858,554 0.719,555 0.578,556 0.293,557 0.183,558 0.107,559 19138,560 45672,561 2.168,562 46.8,563 8,564 11,565 1,567 3,568 2,569 4,572 1.745,573 2.084,574 3.73,575 0.772,582 91.897,583 1.482,584 3.647,585 4.65,586 5.374,587 5.599,588 5.664,589 3.059,590 4.741,591 5.023,592 3.967,593 2094.34,594 8.75,595 34027.1,600 369.16,601 1.182,602 4.999,603 0.122,604 0.004,605 0.07,606 0.044,607 0.039,608 0.018,609 0.016,610 0.01,611 0.007,612 0.004,613 0.333,614 0.17,615 0.75,616 0.398,617 179.783,618 -0.049,619 -0.009,620 0.027,621 0.044,623 0.053,624 0.056,625 -0.105,626 0.009,627 -0.05,628 0.091,629 -0.043,630 -0.007,631 -0.068,632 0.069,633 0.031,634 0.042,635 0.073,636 0.04,637 0.019,638 -0.023,639 -0.035,640 0.006,641 -0.046,642 -0.167,643 0.008,644 -0.089,645 -0.032,646 -0.114,647 -0.085,648 -0.032,649 -0.004,650 -0.061,651 -0.071,652 -0.077,653 -0.118,654 -0.059,655 -0.063,656 -0.065,657 -0.064,658 -0.087,659 -0.08,660 0.001,661 -0.058,662 -0.103,663 -0.077,664 -0.035,665 -0.063,666 1.681,667 5.52,668 0.697,669 33.87,670 0.993,671 1.122,672 3.719,673 13.83,674 0.681,675 3.638,676 3.951,677 4.263,678 4.564,679 4.804,680 4.875,681 4.97,682 5.063,683 5.037,684 4.927,685 8.675,686 0.637,687 461.05,688 3.638,689 5.176,690 6.038,691 6.921,692 7.803,693 8.695,694 9.586,695 10.483,696 11.378,697 12.278,698 6.5,703 1,705 1,706 1,708 1,714 4,715 8,716 1,717 1,720 5,722 21,729 1,734 1,740 1,741 62,743 22,744 2,745 37,747 66,748 27,749 17,750 5,751 7,752 1,756 5,757 9,758 1,767 4,770 7,772 18,773 9,777 1,782 1,786 1,793 29,794 4,795 3,796 6,797 1,802 4,808 0.4,809 1,822 1,824 1,828 1,829 4,832 1,833 2,859 2,865 1,868 33,876 9,877 2,892 1,893 1.6,896 1,901 15.833,902 10.926,903 7.278,904 4.163,907 4.175,908 1.504,909 1.032,910 6.841,911 12.457,912 3.902,913 4.53,914 5.188,915 5.836,916 6.4,917 6.741,918 7.089,919 7.437,920 7.533,921 7.445,922 1,923 53,924 12.251,926 5.256,927 0.026,929 7.554,931 24.097,933 20.485,936 2.054,937 67.778,941 306.049,942 126.858,943 69.593,944 39.149,945 25.145,948 126.858,949 370.342,950 69.593,952 39.964,953 75.381,954 64.646,955 39.461,956 13.915,957 294.278,958 39.149,959 306.049,960 196.451,961 25.145,962 39.149,964 258.964,965 72.229,968 61.65,969 100.004,970 73.945,972 306.049,973 94.737,974 166.007,977 306.049,978 51.477,979 75.381,980 52.807,981 81.079,982 306.049,983 94.737,984 166.007,986 0.573,987 0.34,988 0.197,989 0.111,990 25,991 10,992 0.121,993 8,994 3,995 1.261,996 4.61,997 300.281,998 0.261,999 23,1000 164.465,1005 22.245,1006 10.149,1007 4.874,1008 4.09,1009 77.952,1010 15.666,1011 4.896,1012 3.159,1015 5.271,1017 52.807,1018 566.793,1019 48.5,1024 12.52,1028 -0.015,1031 61.545,1032 69.544,1034 0.249,1035 0.612,1036 0.781,1037 0.902,1038 0.94,1039 0.951,1040 5.131,1041 1.562,1042 6.004,1043 4.306,1044 4.635,1045 5.218,1046 1.27,1047 6.825,1048 4.577,1049 6.333,1050 1.542,1051 7.561,1052 3.73,1053 4.111,1054 5.085,1056 7.758,1057 4.016,1058 7.647,1059 1.44,1060 9.226,1061 3.485,1062 6.221,1063 7.508,1064 1.27,1065 10.916,1066 6.123,1067 9.006,1068 1.292,1069 10.959,1070 3.374,1071 6.594,1072 8.282,1074 12.74,1075 6.478,1076 10.405,1077 1.255,1078 12.738,1079 3.129,1080 8.124,1081 10.154,1082 1.34,1083 15.401,1084 7.998,1085 11.832,1086 1.052,1087 14.548,1088 2.84,1089 8.925,1090 11.336,1092 17.571,1093 8.788,1094 13.28,1095 0.872,1096 16.38,1097 2.536,1098 10.221,1099 12.993,1100 1.423,1101 20.07,1102 10.072,1103 3.235,1104 0.558,1105 18.227,1106 2.013,1107 11.222,1108 14.36,1110 22.38,1111 11.06,1112 3.134,1113 11.364,1114 20.087,1115 1.27,1116 12.427,1117 15.931,1118 1.51,1119 24.821,1120 12.252,1121 2.61,1122 10.751,1123 21.957,1124 4.582,1125 13.516,1126 17.38,1128 27.189,1129 13.327,1130 2.382,1131 8.477,1132 23.833,1133 4.511,1134 14.688,1135 18.916,1136 1.599,1137 29.612,1138 14.484,1139 2.252,1140 7.241,1141 25.716,1142 3.534,1143 15.816,1144 20.402,1146 32.005,1147 15.596,1148 1.985,1149 6.886,1150 27.603,1151 3.14,1152 16.978,1153 21.924,1154 1.69,1155 34.421,1156 16.742,1157 1.82,1158 5.573,1159 29.494,1160 2.961,1161 18.124,1162 23.426,1164 36.825,1165 17.871,1166 17470,1167 27157,1168 25.542,1169 42.233,1170 55.04,1171 56.451,1172 56.24,1173 55,1174 54.796,1175 72.062,1176 2.917,1177 155.82,1178 53.043,1179 5.61,1180 5.596,1181 6.694,1182 5.255,1183 5.235,1184 7.582,1185 2.117,1186 18.902,1187 5.165,1188 11.123,1189 1.488,1190 1.526,1191 1.52,1192 1.486,1193 1.481,1194 1.948,1195 0.079,1196 4.211,1197 1.434,1198 4.14,1199 4.172,1200 4.132,1201 4.06,1202 7.429,1203 4.065,1204 4.099,1205 4.128,1206 4.08,1207 4.024,1208 5.039,1209 4.029,1210 3.744,1211 3.808,1212 3.778,1213 3.662,1214 4.954,1215 3.647,1216 3.731,1217 3.78,1218 3.589,1219 3.592,1220 4.685,1221 3.579,1222 3.529,1223 3.59,1224 3.443,1225 3.363,1226 4.303,1227 3.371,1228 3.393,1229 3.458,1230 3.381,1231 3.243,1232 4.266,1233 3.237,1234 3.257,1235 3.316,1236 3.222,1237 3.109,1238 4.166,1239 3.103,1240 3.153,1241 3.225,1242 3.059,1243 2.967,1244 4.114,1245 2.968,1246 0.126,1247 0.097,1248 0.185,1249 0.114,1250 0.087,1251 4.651,1252 0.124,1253 3.596,1254 0.029,1255 6.833,1256 0.307,1257 4.214,1258 0.086,1259 3.235,1260 4.582,1261 1.058,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.149,1267 2.158,1268 1.436,1269 2.159,1270 1.935,1271 1.913,1272 2.029,1273 2.017,1274 1.333,1275 2.022,1276 1.751,1277 1.71,1278 1.988,1279 1.929,1280 1.15,1281 1.95,1282 1.743,1283 1.678,1284 1.924,1285 1.863,1286 1.144,1287 1.891,1288 1.57,1289 1.524,1290 1.73,1291 1.783,1292 0.96,1293 1.77,1294 1.398,1295 1.325,1296 1.626,1297 1.627,1298 0.755,1299 1.636,1300 1.229,1301 1.175,1302 1.461,1303 1.424,1304 0.705,1305 1.431,1306 1.133,1307 1.058,1308 1.403,1309 1.346,1310 0.607,1311 1.378,1312 4.317,1314 5.631,1315 2.398,1316 7.151,1317 4.727,1318 8.775,1319 6.843,1320 10.459,1323 6.221,1328 9.211,1329 6.759,1340 39.476,1341 91.897,1342 226.086,1343 288.289,1344 333.16,1345 347.16,1346 351.16,1347 52.148,1348 8.282,1349 69.81,1350 69.81,1351 29,1352 12.801,1353 4.524,1354 3.644,1355 48.338,1356 178,1357 149,1358 0.129,1359 243.029,1360 411.86,1361 584.751,1362 60939,1363 1.6,1364 22.623,1365 0.686,1366 0.59,1367 23.123,1368 19.472,1369 16.204,1370 0.438,1371 0.332,1372 11.84,1373 15.562,1374 11.595,1375 9.576,1376 16.492,1377 12.275,1378 14.222,1379 0.279,1380 0.181,1381 14.63,1382 9.208,1383 12.293,1384 0.176,1385 0.096,1386 12.555,1387 6.735,1388 10.66,1389 0.112,1390 0.052,1391 10.895,1392 4.964,1393 8.807,1394 0.073,1395 0.03,1396 9.039,1397 3.595,1398 0.213,1399 102.744,1400 0.198,1401 31.478,1402 0.328,1403 176,1404 426.583,1405 200.95,1406 453.14,1407 625.55,1408 426,1409 209,1410 448.668,1411 228.745,1412 466.791,1413 689.42,1414 444,1415 6.745}
{0 CHEMBL388615,1 1.496,2 16.171,3 6.95,4 48.298,5 142.558,6 7.315,7 0.538,8 4.288,9 4.419,10 3.844,11 3.868,12 5.284,13 3.822,14 4.857,15 5.04,16 4.202,17 4.288,18 5.806,19 4.206,20 5.161,21 5.409,22 4.271,23 4.409,24 6.045,25 4.296,26 5.154,27 5.401,28 4.22,29 4.347,30 6.105,31 4.239,32 5.112,33 5.363,34 4.073,35 4.324,36 5.968,37 4.19,38 5.136,39 5.394,40 4.022,41 4.327,42 5.945,43 4.162,44 5.138,45 5.416,46 3.893,47 4.284,48 5.867,49 4.082,50 5.038,51 5.323,52 3.752,53 4.164,54 5.767,55 3.956,56 0.079,57 0.991,58 14.361,59 6.212,60 8.419,61 8.579,62 0.174,63 1.63,64 27.585,65 10.985,66 22.304,67 15.541,68 0.366,69 2.018,70 42.557,71 14.769,72 42.474,73 21.24,74 0.518,75 2.006,76 42.046,77 13.446,78 59.286,79 19.52,80 0.362,81 1.898,82 39.131,83 13.53,84 44.217,85 19.465,86 0.376,87 1.867,88 41.367,89 14.762,90 45.71,91 21.057,92 0.356,93 1.783,94 44.918,95 15.535,96 43.312,97 22.049,98 0.389,99 1.579,100 43.645,101 14.196,102 42.845,103 20.049,104 5,105 53,106 0.235,107 0.55,108 0.705,109 0.832,110 0.878,111 0.892,112 3.588,113 1.011,114 -5.18,115 -5.08,116 -4.75,121 41.8,123 9,127 2,144 7,145 3,146 2,148 3,154 1,160 1,172 1,176 14,180 6,183 1,185 5,187 17,192 6,195 1,196 1,197 7,200 10,205 1,206 6,209 2,211 9,214 10,219 3,224 6,227 11,232 4,237 5,239 16,244 3,249 1,251 16,256 3,260 1,261 1,264 16,269 2,274 1,277 13,281 2294,282 24.311,283 24.311,284 24.311,285 24.311,286 24.311,287 21.75,288 19.322,289 14.823,290 24.665,291 19.318,292 19.318,293 19.318,294 19.318,295 19.318,296 15.305,297 18.741,298 7.099,299 19.918,300 4.57,301 2.564,302 1.578,303 0.769,304 0.478,305 0.388,306 4.301,308 1,312 1,313 1262,314 4.062,317 87.892,318 371.164,321 163.089,322 301.892,325 2.204,326 25.716,329 1,330 0.67,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.83,337 73.833,338 566,339 4.651,340 3.596,341 6.833,342 4.214,343 3.235,344 4.582,345 1.058,346 11.364,347 3.165,348 4.577,349 3.373,350 6.679,351 4.119,352 3.134,353 4.511,354 0.4,355 10.751,356 3.084,357 3.99,358 2.943,359 6.004,360 3.58,361 2.61,362 3.534,364 8.477,365 2.532,366 3.766,367 2.884,368 5.623,369 3.376,370 2.382,371 3.14,373 7.241,374 2.357,375 3.584,376 2.562,377 5.427,378 3.193,379 2.252,380 2.961,382 6.886,383 2.103,384 3.365,385 2.272,386 4.899,387 2.9,388 1.986,389 2.699,391 5.573,392 1.87,393 3.049,394 1.934,395 4.498,396 2.858,397 1.879,398 2.32,400 4.306,401 1.704,402 3.014,403 1.776,404 4.121,405 2.618,406 1.645,407 2.17,409 3.806,410 1.599,411 2.879,412 1.741,413 4.023,414 2.528,415 1.546,416 1.894,418 3.545,419 1.516,420 2.689,421 1.545,422 3.97,423 2.454,424 1.466,425 1.735,427 3.396,428 1.441,429 2.581,430 1.516,431 3.809,432 2.411,433 1.414,434 1.6,436 3.238,437 1.405,438 2.502,439 1.434,440 3.614,441 2.249,442 1.257,443 1.494,445 3.009,446 1.246,447 2.482,448 1.346,449 3.567,450 2.139,451 1.166,452 1.469,454 2.665,455 1.13,456 2.194,457 1.115,458 3.459,459 1.989,460 1.011,461 1.168,463 2.391,464 0.983,465 1.983,466 1.041,467 3.159,468 1.78,469 0.797,470 0.897,472 1.783,473 0.776,474 17.048,475 0.487,476 0.64,477 0.018,478 42,479 1.2,480 20,481 0.571,482 22,483 0.629,484 35.178,485 1.005,486 37.552,487 0.56,488 28.845,489 0.824,490 7.496,491 0.214,492 9.707,493 0.277,494 0.061,496 0.293,501 0.706,502 1.169,503 0.719,504 0.973,505 0.547,506 0.938,507 0.689,508 1.269,509 0.793,510 1.076,511 0.534,512 1.046,513 0.813,514 1.05,515 0.826,516 0.933,517 0.746,518 0.901,519 1.129,520 1.028,521 0.894,522 0.945,523 1.125,524 0.959,525 1.14,526 0.99,527 0.904,528 0.958,529 1.097,530 1.017,531 0.953,532 1.001,533 0.932,534 1.045,535 1.065,536 1.092,537 0.916,538 0.938,539 1.089,540 1.049,541 0.933,542 1.075,543 0.99,544 0.843,545 1.279,546 1.053,547 0.934,548 1.052,549 4.5,550 0.102,551 3.556,552 2.319,553 1.858,554 0.719,555 0.578,556 0.293,557 0.207,558 0.147,559 23752,560 57029,561 2.158,562 47.8,563 12,564 11,567 3,568 2,569 4,572 1.757,573 2.079,574 3.867,575 0.763,582 100.212,583 1.496,584 3.502,585 4.488,586 5.297,587 5.588,588 5.678,589 3.2,590 4.786,591 5.109,592 4.128,593 2456.22,594 8.906,595 43255.3,600 406.428,601 1.15,602 5.086,603 0.115,604 0.004,605 0.067,606 0.042,607 0.037,608 0.017,609 0.015,610 0.009,611 0.007,612 0.006,613 0.32,614 0.17,615 0.75,616 0.383,617 196.411,618 0.016,619 0.042,620 0.032,621 0.044,622 0.028,623 0.048,624 0.059,625 -0.156,626 0.011,627 -0.076,628 0.101,629 -0.058,630 0.085,631 -0.047,632 0.094,633 0.043,634 0.086,635 0.083,636 0.031,637 0.01,638 0.002,639 -0.014,640 0.046,641 -0.016,642 -0.145,643 0.026,644 -0.065,645 -0.011,646 -0.077,647 -0.056,648 -0.054,649 -0.039,650 -0.051,651 -0.066,652 -0.074,653 -0.102,654 -0.069,655 -0.032,656 -0.059,657 -0.041,658 -0.089,659 -0.062,660 -0.067,661 0.045,662 -0.106,663 -0.03,664 -0.088,665 -0.034,666 1.753,667 5.44,668 0.657,669 39.556,670 0.993,671 1.126,672 3.954,673 15.637,674 0.672,675 3.689,676 3.989,677 4.29,678 4.585,679 4.82,680 4.89,681 4.984,682 5.075,683 5.05,684 4.934,685 9.685,686 0.627,687 490.1,688 3.689,689 5.22,690 6.075,691 6.952,692 7.828,693 8.717,694 9.603,695 10.497,696 11.39,697 12.287,698 7.5,703 1,705 1,706 1,708 2,714 4,715 7,716 2,717 1,720 5,722 21,729 1,734 1,740 1,741 67,743 22,744 2,745 39,747 71,748 28,749 16,750 5,751 7,752 1,756 5,757 9,758 1,767 4,770 9,772 17,773 11,777 1,782 1,786 1,793 32,794 5,795 3,796 7,797 1,802 5,808 0.4,809 1,820 1,822 1,828 1,829 4,832 1,833 2,859 2,865 1,868 35,876 11,877 2,892 1,893 1.5,896 1,901 16.833,902 11.793,903 7.778,904 4.597,907 4.127,908 1.495,909 1.017,910 7.852,911 12.466,912 3.942,913 4.551,914 5.199,915 5.842,916 6.404,917 6.743,918 7.091,919 7.438,920 7.534,921 7.444,922 1,923 55,924 12.994,926 5.538,927 0.026,929 7.551,931 25.6,933 21.635,936 2.051,937 71.778,941 341.362,942 122.451,943 86.133,944 39.149,945 25.145,948 122.451,949 405.656,950 86.133,952 45.033,953 66.334,954 81.309,955 38.297,956 2.757,957 341.362,958 39.149,959 341.362,960 208.584,961 25.145,962 39.149,964 294.278,965 72.229,968 68.741,969 88.384,970 90.608,972 341.362,973 111.278,974 161.6,977 341.362,978 56.117,979 66.334,980 52.685,981 97.742,982 341.362,983 111.278,984 161.6,986 0.569,987 0.335,988 0.193,989 0.108,990 25,991 10,992 0.141,993 10,994 3,995 1.261,996 4.848,997 317.127,998 0.261,999 23,1000 179.525,1005 24.088,1006 11.408,1007 5.626,1008 3.848,1009 94.615,1010 13.696,1011 9.098,1012 2.855,1015 5.168,1017 52.685,1018 614.24,1019 50.5,1024 12.44,1028 -0.086,1031 66.53,1032 75.458,1034 0.247,1035 0.577,1036 0.74,1037 0.873,1038 0.921,1039 0.936,1040 5.166,1041 1.645,1042 6.033,1043 4.306,1044 4.673,1045 5.239,1046 1.27,1047 6.843,1048 4.615,1049 6.358,1050 1.546,1051 7.581,1052 3.806,1053 4.111,1054 5.085,1056 7.758,1057 4.005,1058 7.665,1059 1.466,1060 9.24,1061 3.545,1062 6.244,1063 7.515,1064 1.27,1065 10.92,1066 6.142,1067 9.019,1068 1.414,1069 10.968,1070 3.396,1071 6.594,1072 8.282,1074 12.74,1075 6.461,1076 10.413,1077 1.257,1078 12.743,1079 3.238,1080 8.135,1081 10.155,1082 1.34,1083 15.402,1084 7.997,1085 11.837,1086 1.166,1087 14.551,1088 3.009,1089 8.925,1090 11.336,1092 17.571,1093 8.765,1094 13.284,1095 1.011,1096 16.381,1097 2.665,1098 10.226,1099 12.993,1100 1.423,1101 20.07,1102 10.055,1103 3.235,1104 0.797,1105 18.229,1106 2.391,1107 11.222,1108 14.36,1110 22.38,1111 11.031,1112 3.134,1113 11.364,1114 20.088,1115 1.783,1116 12.429,1117 15.931,1118 1.51,1119 24.822,1120 12.224,1121 2.61,1122 10.751,1123 21.957,1124 4.582,1125 13.516,1126 17.38,1128 27.189,1129 13.291,1130 2.382,1131 8.477,1132 23.833,1133 4.511,1134 14.689,1135 18.916,1136 1.599,1137 29.612,1138 14.448,1139 2.252,1140 7.241,1141 25.716,1142 3.534,1143 15.816,1144 20.402,1146 32.005,1147 15.555,1148 1.986,1149 6.886,1150 27.603,1151 3.14,1152 16.978,1153 21.924,1154 1.69,1155 34.421,1156 16.699,1157 1.879,1158 5.573,1159 29.494,1160 2.961,1161 18.124,1162 23.426,1164 36.825,1165 17.825,1166 21706,1167 33847,1168 26.929,1169 45,1170 57.559,1171 58.991,1172 58.819,1173 57.573,1174 57.345,1175 74.613,1176 2.917,1177 160.922,1178 55.557,1179 5.618,1180 5.596,1181 6.742,1182 5.255,1183 5.235,1184 7.582,1185 2.117,1186 18.902,1187 5.165,1188 11.713,1189 1.476,1190 1.513,1191 1.508,1192 1.476,1193 1.47,1194 1.913,1195 0.075,1196 4.126,1197 1.425,1198 4.129,1199 4.163,1200 4.131,1201 4.051,1202 7.429,1203 4.055,1204 4.088,1205 4.122,1206 4.067,1207 3.988,1208 5.069,1209 4,1210 3.776,1211 3.842,1212 3.778,1213 3.665,1214 5.031,1215 3.65,1216 3.736,1217 3.78,1218 3.618,1219 3.641,1220 4.685,1221 3.624,1222 3.599,1223 3.669,1224 3.482,1225 3.418,1226 4.393,1227 3.419,1228 3.455,1229 3.515,1230 3.406,1231 3.282,1232 4.272,1233 3.291,1234 3.312,1235 3.387,1236 3.299,1237 3.176,1238 4.186,1239 3.165,1240 3.199,1241 3.265,1242 3.122,1243 3.001,1244 4.142,1245 3.005,1246 0.119,1247 0.092,1248 0.175,1249 0.108,1250 0.083,1251 4.651,1252 0.117,1253 3.596,1254 0.027,1255 6.833,1256 0.291,1257 4.214,1258 0.081,1259 3.235,1260 4.582,1261 1.058,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.149,1267 2.158,1268 1.437,1269 2.159,1270 1.926,1271 1.905,1272 2.034,1273 2.003,1274 1.386,1275 2.01,1276 1.783,1277 1.72,1278 2.012,1279 1.948,1280 1.173,1281 1.976,1282 1.75,1283 1.709,1284 1.926,1285 1.863,1286 1.136,1287 1.892,1288 1.591,1289 1.524,1290 1.837,1291 1.828,1292 1.116,1293 1.823,1294 1.449,1295 1.39,1296 1.611,1297 1.707,1298 0.821,1299 1.689,1300 1.289,1301 1.232,1302 1.501,1303 1.522,1304 0.751,1305 1.529,1306 1.16,1307 1.084,1308 1.45,1309 1.364,1310 0.604,1311 1.384,1312 4.369,1314 5.673,1315 2.398,1316 7.182,1317 4.727,1318 8.796,1319 6.843,1320 10.474,1323 6.23,1328 11.782,1329 6.746,1340 42.024,1341 100.212,1342 234.611,1343 300.719,1344 354.918,1345 374.428,1346 380.428,1347 58.302,1348 8.339,1349 82.7,1350 82.7,1351 29,1352 12.812,1353 4.524,1354 3.644,1355 52.912,1356 212,1357 172,1358 0.118,1359 259.416,1360 440.16,1361 624.734,1362 69003,1363 1.5,1364 24.037,1365 0.687,1366 0.593,1367 24.537,1368 20.756,1369 17.204,1370 0.441,1371 0.337,1372 12.697,1373 16.5,1374 12.448,1375 10.301,1376 17.492,1377 13.145,1378 14.929,1379 0.282,1380 0.185,1381 15.337,1382 9.783,1383 12.793,1384 0.178,1385 0.098,1386 13.055,1387 7.09,1388 11.014,1389 0.114,1390 0.053,1391 11.249,1392 5.183,1393 9.057,1394 0.074,1395 0.031,1396 9.289,1397 3.757,1398 0.197,1399 109.199,1400 0.193,1401 33.398,1402 0.292,1403 184,1404 454.228,1405 210.671,1406 478.996,1407 660.25,1408 450,1409 217,1410 476.148,1411 239.076,1412 492.533,1413 725.72,1414 468,1415 7.022}
{0 CHEMBL388627,1 1.45,2 16.171,3 7.171,4 51.422,5 144.001,6 7.193,7 0.538,8 4.296,9 4.426,10 3.838,11 3.888,12 5.273,13 3.837,14 4.867,15 5.05,16 4.197,17 4.314,18 5.8,19 4.225,20 5.178,21 5.426,22 4.264,23 4.439,24 6.036,25 4.319,26 5.17,27 5.415,28 4.216,29 4.384,30 6.096,31 4.265,32 5.138,33 5.389,34 4.075,35 4.351,36 5.99,37 4.21,38 5.149,39 5.409,40 4.02,41 4.345,42 5.945,43 4.174,44 5.151,45 5.43,46 3.891,47 4.302,48 5.867,49 4.095,50 5.053,51 5.338,52 3.749,53 4.184,54 5.767,55 3.97,56 0.062,57 0.973,58 14.796,59 6.394,60 7.821,61 8.886,62 0.187,63 1.624,64 28.254,65 11.438,66 22.015,67 16.134,68 0.293,69 2.048,70 43.193,71 15.416,72 37.911,73 22.022,74 0.5,75 2.039,76 42.642,77 14.357,78 54.142,79 20.611,80 0.359,81 1.944,82 40.271,83 14.307,84 45.549,85 20.404,86 0.364,87 1.901,88 41.945,89 15.3,90 43.386,91 21.726,92 0.338,93 1.823,94 45.269,95 16.081,96 40.292,97 22.694,98 0.367,99 1.619,100 43.885,101 14.743,102 40.04,103 20.689,104 5,105 53,106 0.227,107 0.552,108 0.71,109 0.835,110 0.88,111 0.894,112 3.588,113 1.021,114 -5.34,115 -5.22,116 -4.88,121 42.6,123 9,127 2,144 7,145 4,146 2,148 2,153 1,154 1,160 1,176 15,180 5,183 1,185 8,187 18,192 4,197 7,200 12,206 5,209 2,210 1,211 8,214 12,219 3,224 5,227 12,232 3,237 5,239 17,244 2,249 1,251 17,256 2,260 1,261 1,264 17,269 1,274 1,277 13,281 2294,282 24.311,283 24.311,284 24.311,285 24.311,286 24.311,287 21.75,288 19.322,289 14.823,290 24.653,291 19.318,292 19.318,293 19.318,294 19.318,295 19.318,296 15.305,297 18.741,298 7.099,299 19.901,300 4.637,301 2.561,302 1.555,303 0.757,304 0.471,305 0.382,306 4.301,308 1,312 1,313 1262,314 4.062,317 87.892,318 371.164,321 163.089,322 301.892,325 2.204,326 24.19,329 1,330 0.67,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.83,337 73.333,338 566,339 4.651,340 3.596,341 6.833,342 4.214,343 3.235,344 4.582,345 1.058,346 11.364,347 3.165,348 4.577,349 3.373,350 6.679,351 4.126,352 3.134,353 4.511,354 0.4,355 10.751,356 3.107,357 3.99,358 2.943,359 6.004,360 3.58,361 2.61,362 3.534,364 8.477,365 2.532,366 3.766,367 2.884,368 5.623,369 3.378,370 2.382,371 3.14,373 7.241,374 2.363,375 3.584,376 2.562,377 5.427,378 3.193,379 2.252,380 2.961,382 6.886,383 2.103,384 3.365,385 2.272,386 4.899,387 2.9,388 1.986,389 2.699,391 5.573,392 1.871,393 3.049,394 1.934,395 4.498,396 2.859,397 1.879,398 2.32,400 4.306,401 1.704,402 3.014,403 1.776,404 4.121,405 2.622,406 1.645,407 2.17,409 3.806,410 1.605,411 2.879,412 1.741,413 4.023,414 2.519,415 1.546,416 1.894,418 3.545,419 1.502,420 2.689,421 1.545,422 3.97,423 2.455,424 1.466,425 1.735,427 3.396,428 1.442,429 2.581,430 1.516,431 3.809,432 2.412,433 1.414,434 1.6,436 3.238,437 1.405,438 2.502,439 1.434,440 3.614,441 2.249,442 1.257,443 1.494,445 3.009,446 1.246,447 2.482,448 1.346,449 3.567,450 2.14,451 1.166,452 1.469,454 2.665,455 1.132,456 2.194,457 1.115,458 3.459,459 1.99,460 1.011,461 1.168,463 2.391,464 0.984,465 1.983,466 1.041,467 3.159,468 1.777,469 0.797,470 0.897,472 1.783,473 0.773,474 17.148,475 0.49,476 0.64,477 0.018,478 42,479 1.2,480 20,481 0.571,482 22,483 0.629,484 35.181,485 1.005,486 37.452,487 0.551,488 28.841,489 0.824,490 7.48,491 0.214,492 9.723,493 0.278,494 0.061,496 0.292,501 0.758,502 1.203,503 0.735,504 0.973,505 0.559,506 0.941,507 0.688,508 1.222,509 0.808,510 1.057,511 0.526,512 1.042,513 0.892,514 1.068,515 0.839,516 0.936,517 0.771,518 0.903,519 1.097,520 1.023,521 0.895,522 0.961,523 1.14,524 0.975,525 1.197,526 1.009,527 0.907,528 0.966,529 1.221,530 1.021,531 0.96,532 1.013,533 0.926,534 1.039,535 1.068,536 1.081,537 0.921,538 0.949,539 1.083,540 1.042,541 0.932,542 1.065,543 0.993,544 0.853,545 1.269,546 1.047,547 0.929,548 1.044,549 4.5,550 0.102,551 3.556,552 2.319,553 1.858,554 0.719,555 0.578,556 0.293,557 0.207,558 0.147,559 23752,560 54910,561 2.158,562 48.5,563 12,564 11,565 1,567 3,568 2,569 4,572 1.757,573 2.079,574 3.867,575 0.735,582 98.601,583 1.45,584 3.526,585 4.533,586 5.33,587 5.617,588 5.705,589 3.2,590 4.786,591 5.109,592 4.128,593 2456.22,594 8.906,595 43255.3,600 413.947,601 1.15,602 5.086,603 0.115,604 0.004,605 0.067,606 0.042,607 0.037,608 0.017,609 0.015,610 0.009,611 0.007,612 0.006,613 0.32,614 0.17,615 0.75,616 0.383,617 196.411,618 -0.04,619 -0.011,620 0.03,621 0.04,622 0.011,623 0.05,624 0.062,625 -0.115,626 0.004,627 -0.062,628 0.1,629 -0.054,630 0.009,631 -0.059,632 0.08,633 0.038,634 0.058,635 0.078,636 0.062,637 0.018,638 -0.002,639 -0.023,640 0.03,641 -0.027,642 -0.14,643 0.009,644 -0.065,645 -0.021,646 -0.088,647 -0.063,648 -0.043,649 -0.043,650 -0.044,651 -0.065,652 -0.066,653 -0.098,654 -0.064,655 -0.033,656 -0.055,657 -0.04,658 -0.084,659 -0.059,660 -0.059,661 0.046,662 -0.1,663 -0.03,664 -0.082,665 -0.033,666 1.666,667 5.491,668 0.657,669 39.556,670 0.99,671 1.123,672 4.107,673 16.868,674 0.673,675 3.689,676 3.989,677 4.29,678 4.585,679 4.82,680 4.89,681 4.984,682 5.075,683 5.05,684 4.934,685 9.685,686 0.625,687 489.11,688 3.689,689 5.22,690 6.075,691 6.952,692 7.828,693 8.717,694 9.603,695 10.497,696 11.39,697 12.287,698 5.9,703 1,705 1,706 1,708 1,714 4,715 8,716 1,717 1,720 5,722 21,729 1,734 1,740 1,741 68,743 22,744 2,745 39,747 72,748 29,749 17,750 5,751 7,752 1,756 5,757 9,758 1,767 4,770 9,772 18,773 11,777 1,782 1,786 1,793 33,794 4,795 3,796 6,797 1,802 4,808 0.4,809 1,822 1,824 1,828 1,829 4,832 1,833 2,859 2,865 1,868 35,876 11,877 2,892 1,893 1.5,896 1,901 16.833,902 11.926,903 7.778,904 4.663,907 4.127,908 1.495,909 1.02,910 7.901,911 12.466,912 3.942,913 4.551,914 5.199,915 5.842,916 6.404,917 6.743,918 7.091,919 7.438,920 7.534,921 7.444,922 1,923 55,924 13.006,926 5.539,927 0.026,929 7.522,931 25.73,933 21.818,936 2.022,937 70.778,941 353.133,942 131.927,943 69.593,944 39.149,945 25.145,948 131.927,949 417.427,950 69.593,952 45.033,953 75.381,954 64.646,955 39.461,956 13.915,957 341.362,958 39.149,959 353.133,960 201.52,961 25.145,962 39.149,964 306.049,965 72.229,968 66.719,969 100.004,970 73.945,972 353.133,973 94.737,974 171.076,977 353.133,978 56.546,979 75.381,980 52.807,981 81.079,982 353.133,983 94.737,984 171.076,986 0.569,987 0.335,988 0.193,989 0.108,990 25,991 10,992 0.139,993 10,994 3,995 1.261,996 4.848,997 317.127,998 0.261,999 23,1000 173.525,1005 24.15,1006 11.451,1007 5.652,1008 4.149,1009 77.952,1010 15.744,1011 4.911,1012 3.164,1015 5.366,1017 52.807,1018 618.947,1019 50.5,1024 12.491,1028 0.001,1031 67.312,1032 76.375,1034 0.238,1035 0.579,1036 0.745,1037 0.876,1038 0.923,1039 0.937,1040 5.166,1041 1.645,1042 6.033,1043 4.306,1044 4.673,1045 5.239,1046 1.27,1047 6.843,1048 4.617,1049 6.358,1050 1.546,1051 7.581,1052 3.806,1053 4.111,1054 5.085,1056 7.758,1057 4.016,1058 7.665,1059 1.466,1060 9.24,1061 3.545,1062 6.244,1063 7.515,1064 1.27,1065 10.92,1066 6.149,1067 9.019,1068 1.414,1069 10.968,1070 3.396,1071 6.594,1072 8.282,1074 12.74,1075 6.478,1076 10.413,1077 1.257,1078 12.743,1079 3.238,1080 8.135,1081 10.155,1082 1.34,1083 15.402,1084 8.012,1085 11.837,1086 1.166,1087 14.551,1088 3.009,1089 8.925,1090 11.336,1092 17.571,1093 8.788,1094 13.284,1095 1.011,1096 16.381,1097 2.665,1098 10.226,1099 12.993,1100 1.423,1101 20.07,1102 10.078,1103 3.235,1104 0.797,1105 18.229,1106 2.391,1107 11.222,1108 14.36,1110 22.38,1111 11.06,1112 3.134,1113 11.364,1114 20.088,1115 1.783,1116 12.429,1117 15.931,1118 1.51,1119 24.822,1120 12.254,1121 2.61,1122 10.751,1123 21.957,1124 4.582,1125 13.516,1126 17.38,1128 27.189,1129 13.327,1130 2.382,1131 8.477,1132 23.833,1133 4.511,1134 14.689,1135 18.916,1136 1.599,1137 29.612,1138 14.485,1139 2.252,1140 7.241,1141 25.716,1142 3.534,1143 15.816,1144 20.402,1146 32.005,1147 15.596,1148 1.986,1149 6.886,1150 27.603,1151 3.14,1152 16.978,1153 21.924,1154 1.69,1155 34.421,1156 16.743,1157 1.879,1158 5.573,1159 29.494,1160 2.961,1161 18.124,1162 23.426,1164 36.825,1165 17.871,1166 21706,1167 33195,1168 26.929,1169 45.756,1170 57.559,1171 58.991,1172 58.819,1173 57.557,1174 57.345,1175 74.613,1176 2.917,1177 160.922,1178 55.592,1179 5.618,1180 5.596,1181 6.742,1182 5.255,1183 5.235,1184 7.582,1185 2.117,1186 18.902,1187 5.165,1188 11.713,1189 1.476,1190 1.513,1191 1.508,1192 1.476,1193 1.47,1194 1.913,1195 0.075,1196 4.126,1197 1.425,1198 4.141,1199 4.172,1200 4.132,1201 4.06,1202 7.429,1203 4.066,1204 4.099,1205 4.128,1206 4.08,1207 4.024,1208 5.04,1209 4.03,1210 3.777,1211 3.843,1212 3.778,1213 3.665,1214 4.954,1215 3.65,1216 3.736,1217 3.78,1218 3.618,1219 3.641,1220 4.685,1221 3.624,1222 3.598,1223 3.669,1224 3.48,1225 3.423,1226 4.302,1227 3.424,1228 3.454,1229 3.507,1230 3.404,1231 3.318,1232 4.269,1233 3.314,1234 3.323,1235 3.397,1236 3.3,1237 3.184,1238 4.184,1239 3.173,1240 3.216,1241 3.275,1242 3.145,1243 3.02,1244 4.142,1245 3.027,1246 0.119,1247 0.092,1248 0.175,1249 0.108,1250 0.083,1251 4.651,1252 0.117,1253 3.596,1254 0.027,1255 6.833,1256 0.291,1257 4.214,1258 0.081,1259 3.235,1260 4.582,1261 1.058,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.149,1267 2.158,1268 1.437,1269 2.159,1270 1.935,1271 1.913,1272 2.037,1273 2.017,1274 1.386,1275 2.023,1276 1.784,1277 1.722,1278 2.021,1279 1.953,1280 1.174,1281 1.98,1282 1.75,1283 1.709,1284 1.926,1285 1.864,1286 1.147,1287 1.892,1288 1.612,1289 1.558,1290 1.84,1291 1.828,1292 1.12,1293 1.829,1294 1.507,1295 1.445,1296 1.671,1297 1.706,1298 0.826,1299 1.709,1300 1.302,1301 1.242,1302 1.551,1303 1.532,1304 0.752,1305 1.544,1306 1.179,1307 1.11,1308 1.454,1309 1.379,1310 0.695,1311 1.394,1312 4.369,1314 5.673,1315 2.398,1316 7.182,1317 4.727,1318 8.796,1319 6.843,1320 10.474,1323 6.233,1328 11.915,1329 6.803,1340 42.53,1341 98.601,1342 239.782,1343 308.238,1344 362.438,1345 381.947,1346 387.947,1347 57.681,1348 8.339,1349 69.81,1350 69.81,1351 29,1352 12.812,1353 4.524,1354 3.644,1355 52.912,1356 212,1357 172,1358 0.118,1359 262.214,1360 446.46,1361 631.561,1362 69003,1363 1.5,1364 24.037,1365 0.687,1366 0.597,1367 24.537,1368 20.886,1369 17.204,1370 0.441,1371 0.34,1372 12.84,1373 16.562,1374 12.576,1375 10.409,1376 17.492,1377 13.275,1378 14.929,1379 0.282,1380 0.187,1381 15.337,1382 9.915,1383 12.793,1384 0.178,1385 0.1,1386 13.055,1387 7.235,1388 11.014,1389 0.114,1390 0.055,1391 11.249,1392 5.317,1393 9.057,1394 0.074,1395 0.031,1396 9.289,1397 3.845,1398 0.197,1399 108.744,1400 0.193,1401 33.398,1402 0.292,1403 184,1404 434.583,1405 208.95,1406 461.463,1407 637.07,1408 434,1409 217,1410 456.668,1411 236.745,1412 475.115,1413 700.94,1414 452,1415 7.444}
{0 CHEMBL388714,1 1.395,2 13,3 4.84,4 23.424,5 126.57,6 7.281,7 0.514,8 4.162,9 4.262,10 3.716,11 3.722,12 5.266,13 3.699,14 4.687,15 4.848,16 4.037,17 4.086,18 5.711,19 4.052,20 4.88,21 5.042,22 4.175,23 4.252,24 5.933,25 4.196,26 5.036,27 5.238,28 4.157,29 4.28,30 6.085,31 4.199,32 5.067,33 5.278,34 4.114,35 4.288,36 6.084,37 4.196,38 5.032,39 5.247,40 4.032,41 4.281,42 6.017,43 4.165,44 5.036,45 5.277,46 3.89,47 4.216,48 5.971,49 4.079,50 4.841,51 5.066,52 3.804,53 4.076,54 5.769,55 3.953,56 0.008,57 0.75,58 12.091,59 5.798,60 9.123,61 7.229,62 0.232,63 1.235,64 23.077,65 9.153,66 22.672,67 11.553,68 0.243,69 1.489,70 27.634,71 11.618,72 28.508,73 14.961,74 0.447,75 1.697,76 34.325,77 13.429,78 55.173,79 17.755,80 0.559,81 1.72,82 36.218,83 13.934,84 61.489,85 18.31,86 0.34,87 1.685,88 34.21,89 14.021,90 51.01,91 18.747,92 0.487,93 1.659,94 35.928,95 13.944,96 61.45,97 18.799,98 0.19,99 1.384,100 28.402,101 11.734,102 37.615,103 15.783,104 26,105 48,106 0.225,107 0.528,108 0.701,109 0.798,110 0.833,111 0.857,112 3.502,113 0.913,114 -4.66,115 -4.58,116 -4.31,121 45.8,122 1,126 2,127 3,138 1,139 1,144 11,145 4,146 3,159 1,176 14,180 10,187 16,191 1,192 11,200 11,205 2,206 10,214 8,218 2,219 8,227 13,231 1,232 4,239 17,243 2,244 4,251 17,256 5,264 11,269 8,277 8,281 1802,282 22.127,283 22.127,284 22.127,285 22.127,286 22.127,287 19.677,288 26.271,289 13.042,290 22.693,291 17.103,292 17.103,293 17.103,294 17.103,295 17.103,296 13.257,297 34.217,298 5.957,299 17.768,300 4.488,301 2.617,302 1.544,303 0.945,304 0.729,305 0.581,306 4.2,311 1,312 1,313 893,314 3.536,318 393.522,322 146.79,325 2,326 26.698,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 68.5,338 416,339 4.566,340 3.676,341 6.764,342 4.207,343 3.214,344 4.214,345 0.995,346 11.024,347 3.196,348 4.245,349 3.193,350 6.25,351 3.847,352 2.876,353 3.85,354 0.86,355 9.399,356 2.793,357 3.97,358 3.083,359 5.92,360 3.666,361 2.705,362 3.459,363 0.86,364 8.253,365 2.603,366 3.897,367 2.757,368 5.652,369 3.508,370 2.528,371 3.382,372 0.86,373 7.83,374 2.476,375 3.625,376 2.718,377 5.355,378 3.281,379 2.314,380 2.94,381 0.359,382 6.932,383 2.228,384 3.315,385 2.48,386 5.069,387 3.003,388 2.046,389 2.492,391 5.854,392 1.946,393 3.214,394 2.199,395 4.85,396 2.842,397 1.887,398 2.358,400 5.418,401 1.788,402 2.948,403 2.161,404 4.524,405 2.503,406 1.53,407 2.096,409 4.3,410 1.483,411 2.812,412 1.709,413 4.134,414 2.402,415 1.418,416 1.906,418 3.425,419 1.395,420 2.719,421 1.512,422 3.586,423 2.281,424 1.36,425 1.731,427 3.018,428 1.242,429 2.601,430 1.325,431 3.491,432 2.111,433 1.13,434 1.595,436 2.558,437 1.099,438 2.5,439 1.141,440 3.252,441 2,442 1,443 1.5,445 2.136,446 1,447 1.963,448 1.01,449 3.247,450 1.55,451 0.623,452 0.775,454 1.252,455 0.566,456 1.527,457 1,458 2.985,459 1.391,460 0.419,461 0.436,463 0.617,464 0.406,465 1.474,466 0.713,467 2.862,468 1.246,469 0.389,470 0.425,472 0.575,473 0.329,474 15.233,475 0.476,476 0.636,477 0.02,478 42.5,479 1.328,480 22.5,481 0.703,482 20,483 0.625,484 26.435,485 0.826,486 33.967,487 0.576,488 34.535,489 1.079,490 8.837,491 0.276,492 6.785,493 0.212,494 0.12,496 0.322,501 0.787,502 1.231,503 0.787,504 1.117,505 0.627,506 0.978,507 1.254,508 0.872,509 0.907,510 0.808,511 0.799,512 0.794,513 0.896,514 1.162,515 0.938,516 1.109,517 0.815,518 1.039,519 0.89,520 1.088,521 0.946,522 1.052,523 1.03,524 1.011,525 1.028,526 0.966,527 0.997,528 0.956,529 1.129,530 0.968,531 0.778,532 1.083,533 1.009,534 1.101,535 0.852,536 1.092,537 0.93,538 0.88,539 1.024,540 0.919,541 1.332,542 0.979,543 0.772,544 1.089,545 0.971,546 1.097,547 1.066,548 1.073,549 6,550 0.173,551 3.111,552 2.313,553 2.062,554 1.118,555 0.767,556 0.464,557 0.316,558 0.254,559 14353,560 35704,561 2.082,562 45.8,564 23,565 1,569 3,572 1.744,573 1.959,574 3.669,575 -0.836,582 82.312,583 1.395,584 3.265,585 4.339,586 4.937,587 5.153,588 5.302,589 3.125,590 4.539,591 4.97,592 3.812,593 1890.56,594 8.693,595 27721.6,597 1,600 347.076,601 1.366,602 4.936,603 0.171,604 0.006,605 0.065,606 0.044,607 0.041,608 0.023,609 0.017,610 0.012,611 0.009,612 0.008,613 0.397,614 0.33,615 1,616 0.851,617 168.774,618 0.004,619 -0.144,620 0.067,621 -0.081,622 -0.02,623 -0.012,624 -0.148,625 0.202,626 0.044,627 0.172,628 -0.046,629 0.148,630 0.055,631 -0.119,632 -0.008,633 -0.111,634 0.072,635 -0.075,636 0.124,637 -0.079,638 0.029,639 -0.074,640 0.116,641 -0.041,642 0.057,643 0.022,644 -0.005,645 0.022,646 0.031,647 0.003,648 0.047,649 -0.1,650 -0.053,651 -0.105,652 0.062,653 -0.096,654 -0.019,655 0.084,656 -0.034,657 0.065,658 -0.11,659 0.018,660 -0.006,661 -0.121,662 -0.016,663 -0.097,664 -0.072,665 -0.065,666 1.763,667 6.261,668 0.688,669 35.121,670 0.998,671 1.114,672 3.434,673 11.793,674 0.673,675 3.584,676 3.892,677 4.19,678 4.454,679 4.71,680 4.787,681 4.92,682 5.056,683 5.165,684 5.193,685 7.478,686 0.639,687 429.55,688 3.584,689 5.118,690 5.974,691 6.851,692 7.724,693 8.61,694 9.49,695 10.38,696 11.265,697 12.158,698 1.7,701 1,715 11,720 7,722 18,727 1,739 3,741 59,743 20,744 3,745 35,747 62,748 27,749 18,750 7,751 11,752 3,756 4,757 5,763 1,772 21,773 6,777 2,782 1,784 1,786 2,793 27,794 5,796 5,802 1,808 0.75,809 4,829 4,833 1,850 1,855 1,859 3,864 3,868 32,876 3,878 3,881 1,893 6.8,896 1,898 3,901 16.333,902 11.617,903 7.306,904 3.501,907 3.661,908 1.46,909 0.976,910 6.935,911 11.622,912 3.85,913 4.425,914 5.012,915 5.559,916 6.101,917 6.315,918 6.671,919 7.021,920 7.369,921 7.682,922 0.889,923 53,924 11.835,926 4.939,927 0.026,929 7.656,931 22.716,933 18.268,936 2.156,937 69,940 1,941 317.82,942 189.473,943 3.124,945 58.145,948 189.473,949 375.964,950 3.124,951 30.591,952 17.851,953 104.239,954 30.278,955 67.782,956 11.771,957 306.049,959 317.82,960 192.597,961 58.145,964 282.506,965 93.458,968 18.267,969 174.331,972 317.82,973 61.269,974 189.473,977 317.82,978 43.109,979 149.488,981 58.145,982 317.82,983 61.269,984 189.473,986 0.569,987 0.349,988 0.194,989 0.108,990 22,991 10,992 0.129,993 8,994 1,995 1.091,996 4.274,997 292.02,998 0.091,999 22,1000 156,1005 22.128,1006 10.029,1007 4.9,1009 61.269,1010 21.871,1015 5.215,1018 568.562,1019 46,1024 13.261,1026 1.525,1028 0.429,1031 58.898,1032 65.734,1034 0.237,1035 0.555,1036 0.738,1037 0.839,1038 0.876,1039 0.901,1040 5.078,1041 1.53,1042 5.948,1043 5.418,1044 4.575,1045 5.112,1046 2.013,1047 6.76,1048 4.512,1049 6.274,1050 1.418,1051 7.506,1052 4.3,1053 4.111,1054 4.832,1055 0.325,1056 7.659,1057 4.043,1058 7.576,1059 1.36,1060 9.164,1061 3.425,1062 6.168,1063 7.272,1064 1.747,1065 10.766,1066 6.064,1067 8.914,1068 1.13,1069 10.88,1070 3.018,1071 6.538,1072 7.808,1073 0.504,1074 12.483,1075 6.433,1076 10.283,1077 1,1078 12.635,1079 2.558,1080 8.036,1081 9.706,1082 1.534,1083 15.112,1084 7.907,1085 11.675,1086 0.623,1087 14.416,1088 2.136,1089 8.8,1090 10.638,1091 0.585,1092 17.183,1093 8.671,1094 13.085,1095 0.419,1096 16.217,1097 1.252,1098 10.073,1099 12.295,1100 1.356,1101 19.647,1102 9.929,1103 3.214,1104 0.389,1105 18.032,1106 0.617,1107 11.03,1108 13.44,1109 0.622,1110 21.882,1111 10.886,1112 2.876,1113 11.024,1114 19.859,1115 0.575,1116 12.211,1117 14.976,1118 1.208,1119 24.29,1120 12.059,1121 2.705,1122 9.399,1123 21.697,1124 4.214,1125 13.262,1126 16.239,1127 0.639,1128 26.603,1129 13.11,1130 2.528,1131 8.253,1132 23.543,1133 3.85,1134 14.412,1135 17.715,1136 1.086,1137 28.993,1138 14.254,1139 2.314,1140 7.83,1141 25.396,1142 3.459,1143 15.51,1144 19.046,1145 0.646,1146 31.345,1147 15.352,1148 2.046,1149 6.932,1150 27.255,1151 3.382,1152 16.651,1153 20.493,1154 0.986,1155 33.732,1156 16.491,1157 1.887,1158 5.854,1159 29.12,1160 2.94,1161 17.773,1162 21.863,1163 0.648,1164 36.103,1165 17.613,1166 13742,1167 21888,1168 23.463,1169 39.722,1170 51.424,1171 53.23,1172 53.598,1173 50.885,1174 50.936,1175 66.392,1176 7.867,1177 145.313,1178 49.159,1179 5.445,1180 5.676,1181 6.566,1182 5.295,1183 5.214,1184 7.214,1185 1.855,1186 18.464,1187 5.196,1188 15.193,1189 1.469,1190 1.521,1191 1.531,1192 1.454,1193 1.455,1194 1.897,1195 0.225,1196 4.152,1197 1.405,1198 4.05,1199 4.063,1200 4.013,1201 3.972,1202 7.427,1203 3.978,1204 3.927,1205 3.955,1206 3.862,1207 3.852,1208 4.975,1209 3.849,1210 3.867,1211 3.889,1212 3.806,1213 3.805,1214 4.772,1215 3.805,1216 3.6,1217 3.666,1218 3.499,1219 3.429,1220 4.739,1221 3.436,1222 3.48,1223 3.5,1224 3.384,1225 3.316,1226 4.604,1227 3.325,1228 3.249,1229 3.314,1230 3.065,1231 3.014,1232 4.493,1233 2.994,1234 3.189,1235 3.273,1236 2.996,1237 2.953,1238 4.206,1239 2.965,1240 3.132,1241 3.206,1242 2.938,1243 2.935,1244 4.017,1245 2.931,1246 0.13,1247 0.105,1248 0.193,1249 0.12,1250 0.092,1251 4.566,1252 0.12,1253 3.676,1254 0.028,1255 6.764,1256 0.315,1257 4.207,1258 0.091,1259 3.214,1260 4.214,1261 0.995,1262 11.024,1263 3.196,1264 1.988,1265 1.975,1266 2.081,1267 2.081,1268 1.264,1269 2.078,1270 1.916,1271 1.888,1272 2.033,1273 2.02,1274 1.159,1275 2.023,1276 1.858,1277 1.841,1278 1.946,1279 1.948,1280 1.079,1281 1.954,1282 1.576,1283 1.508,1284 1.835,1285 1.781,1286 0.988,1287 1.801,1288 1.416,1289 1.393,1290 1.607,1291 1.627,1292 0.729,1293 1.614,1294 1.201,1295 1.122,1296 1.575,1297 1.524,1298 0.614,1299 1.539,1300 1.191,1301 1.116,1302 1.523,1303 1.429,1304 0.574,1305 1.468,1306 1.133,1307 1.058,1308 1.43,1309 1.354,1310 0.554,1311 1.386,1312 4.263,1314 5.572,1316 7.094,1318 8.713,1320 10.382,1322 5.263,1328 2.601,1330 16.466,1333 2.37,1340 37.729,1341 82.312,1342 192.644,1343 256.003,1344 291.302,1345 304.056,1346 312.811,1347 56.578,1348 7.961,1349 51.91,1350 51.91,1351 24,1352 12.687,1353 4.392,1354 3.585,1355 51.936,1356 143,1357 146,1358 0.176,1359 230.768,1360 410.64,1361 554.834,1362 33842,1364 22.501,1365 0.703,1366 0.582,1367 22.501,1368 18.63,1369 15.622,1370 0.446,1371 0.304,1372 10.498,1373 15.019,1374 10.14,1375 8.489,1376 15.622,1377 10.657,1378 13.375,1379 0.279,1380 0.16,1381 13.375,1382 7.671,1383 11.787,1384 0.181,1385 0.086,1386 11.787,1387 5.619,1388 9.849,1389 0.116,1390 0.046,1391 9.849,1392 3.872,1393 8.142,1394 0.074,1395 0.025,1396 8.142,1397 2.709,1398 0.278,1399 98.061,1400 0.206,1401 30.016,1402 0.474,1403 166,1404 486.587,1405 179.485,1406 462.356,1407 634.3,1408 436,1409 196,1410 461.204,1411 211.067,1412 472.307,1413 688.69,1414 440,1415 5.799}
{0 CHEMBL388883,1 1.68,2 9.125,3 6.889,4 47.461,5 85.968,6 12.691,7 0.364,8 3.823,9 3.876,10 3.741,11 3.296,12 5.362,13 3.427,14 4.46,15 4.539,16 4.411,17 3.649,18 6.979,19 3.824,20 4.514,21 4.594,22 4.323,23 3.795,24 6.393,25 3.946,26 4.787,27 4.915,28 4.428,29 3.738,30 6.688,31 3.977,32 4.735,33 4.845,34 4.434,35 3.569,36 6.907,37 3.871,38 4.532,39 4.574,40 4.463,41 3.463,42 6.992,43 3.779,44 4.687,45 4.779,46 4.658,47 3.449,48 7.511,49 3.774,50 4.38,51 4.505,52 4.134,53 3.364,54 6.251,55 3.618,56 1.231,57 1.766,58 0.78,59 4.323,60 260.682,61 2.183,62 2.738,63 3.422,64 4.476,65 7.236,66 529.913,67 3.482,68 2.591,69 2.941,70 3.958,71 8.22,72 501.922,73 5.068,74 3.871,75 3.095,76 13.613,77 9.768,78 753.057,79 5.398,80 3.625,81 2.566,82 14.281,83 8.418,84 746.417,85 3.99,86 2.617,87 2.521,88 4.078,89 6.753,90 579.902,91 2.728,92 3.687,93 4.093,94 8.57,95 7.902,96 722.438,97 3.458,98 2.567,99 2.758,100 6.66,101 6.936,102 498.189,103 4.006,104 213,105 54,106 0.302,107 0.49,108 0.535,109 0.599,110 0.675,111 0.675,112 3.503,113 0.718,114 -6.97,115 -6.78,116 -6.27,121 47.4,134 4,144 6,145 6,159 2,176 12,180 2,187 12,191 1,192 6,200 7,206 8,214 4,219 6,227 8,232 2,239 10,251 8,264 4,277 1,281 1672,282 18.664,283 18.664,284 18.664,285 18.664,286 18.664,287 17.249,288 19.567,289 9.959,290 19.621,291 16.207,292 16.207,293 16.207,294 16.207,295 16.207,296 13.729,297 18.77,298 4.668,299 18.032,300 3.568,301 2.527,302 2.277,303 1.922,304 1.501,305 1.501,306 4.146,312 1,313 580,314 5.745,318 232.59,325 1.25,326 140.527,329 0.75,330 0.67,331 0.83,332 0.5,333 0.5,334 0.83,335 1,336 0.73,337 84,338 292,339 4.691,340 4.483,341 7.322,342 4.394,343 3.467,344 4.256,345 3.825,346 12.604,347 3.311,348 4.597,349 4.478,350 7.279,351 4.302,352 3.412,353 4.118,354 3.825,355 12.386,356 3.091,357 4.36,358 4.453,359 7.104,360 4.118,361 3.275,362 3.569,363 3.825,364 11.639,365 2.791,366 4.349,367 4.452,368 7.103,369 4.11,370 3.27,371 3.529,372 3.825,373 11.638,374 2.753,375 4.084,376 3.828,377 6.466,378 3.819,379 2.869,380 3.284,382 9.709,383 2.626,384 3.617,385 3.01,386 5.838,387 3.283,388 2.37,389 2.77,391 7.867,392 2.09,393 3.274,394 2.435,395 5.05,396 2.847,397 1.911,398 2.44,400 5.612,401 1.711,402 2.981,403 2.355,404 4.595,405 2.545,406 1.588,407 2.12,409 4.608,410 1.482,411 2.703,412 1.786,413 4.549,414 2.268,415 1.344,416 1.748,418 4.248,419 1.203,420 2.644,421 1.783,422 4.343,423 2.198,424 1.255,425 1.689,427 3.62,428 1.151,429 2.577,430 1.278,431 3.951,432 2.083,433 1.071,434 1.586,436 2.835,437 1.079,438 2.223,439 1.277,440 3.303,441 1.575,442 0.477,443 0.77,445 1.153,446 0.516,447 0.988,448 0.51,449 3.027,450 0.601,451 -0.373,452 -0.468,454 -1.045,455 -0.359,456 0.988,457 0.51,458 2.96,459 0.585,460 -0.408,461 -0.539,463 -1.099,464 -0.4,465 0.654,466 0.51,467 2.696,468 0.186,469 -0.826,470 -1,472 -2.5,473 -0.7,474 13.095,475 0.409,476 1.844,477 0.058,478 35,479 1.094,480 15,481 0.469,482 20,483 0.625,484 29.303,485 0.916,486 39.105,487 1.029,488 45.515,489 1.422,490 7.833,491 0.245,492 6.409,493 0.2,494 0.313,495 0.153,496 0.305,498 12,501 0.699,502 0.866,503 0.481,504 0.996,505 0.803,506 0.872,507 0.449,508 0.557,509 0.444,510 0.79,511 0.472,512 0.874,513 0.73,514 0.914,515 0.659,516 1.212,517 0.7,518 1.271,519 1.293,520 1.089,521 1.429,522 1.105,523 1.267,524 1.174,525 1.341,526 1.062,527 1.433,528 0.887,529 1.363,530 0.849,531 0.917,532 1.145,533 0.659,534 1.056,535 0.985,536 0.868,537 0.564,538 0.764,539 0.534,540 0.811,541 0.544,542 0.859,543 1.228,544 1.378,545 1.112,546 1.385,547 1.194,548 1.321,549 13,550 0.223,551 6.222,552 3.875,553 2.907,554 2.611,555 1.673,556 0.719,557 0.799,558 0.662,559 10165,560 74745,561 1.782,562 15.8,564 6,572 1.755,573 1.548,574 3.164,575 -0.558,582 63.833,583 1.68,584 2.721,585 2.971,586 3.326,587 3.747,588 3.747,589 2.43,590 3.156,591 4.976,592 3.359,593 1666.04,594 8.761,595 23583.7,600 199.421,601 1.85,602 4.801,603 0.394,604 0.007,605 0.115,606 0.069,607 0.05,608 0.047,609 0.03,610 0.012,611 0.019,612 0.015,613 0.759,614 0.67,615 0.63,616 1.053,617 163.465,618 0.012,619 0.021,621 0.028,622 -0.07,623 0.021,624 0.445,625 0.454,626 0.228,627 0.23,628 0.411,629 -0.026,630 0.018,631 -0.112,632 0.124,633 -0.24,634 0.052,635 -0.208,636 -0.398,637 -0.24,638 -0.342,639 -0.16,640 -0.37,641 -0.038,642 -0.407,643 -0.207,644 -0.384,645 0.034,646 -0.399,647 0.175,648 -0.029,649 -0.253,650 0.023,651 -0.125,652 -0.038,653 -0.117,654 0.527,655 0.354,656 0.359,657 0.184,658 0.536,659 -0.074,660 -0.306,661 -0.434,662 -0.081,663 -0.396,664 -0.288,665 -0.213,666 6.768,667 5.266,668 0.375,669 26.75,670 1.152,671 1.217,672 5.742,673 32.973,674 0.658,675 3.526,676 4.007,677 4.143,678 4.344,679 4.595,680 4.779,681 4.898,682 4.511,683 4.673,684 4.673,685 6.066,686 0.757,687 482.24,688 3.526,689 5.165,690 6.009,691 6.95,692 7.825,693 8.76,694 9.648,695 10.577,696 11.473,697 12.399,715 6,720 6,722 12,727 2,741 38,743 14,744 2,745 33,747 39,748 18,749 12,750 6,751 6,752 2,756 2,757 2,763 4,769 4,772 14,773 4,777 2,782 2,786 2,791 12,793 6,794 14,796 14,808 1,809 2,829 2,859 2,866 12,868 32,882 4,892 12,893 5.3,896 2,901 20.667,902 7.048,903 6.389,904 1.963,907 2.351,908 1.328,909 0.959,910 6.204,911 9.527,912 3.738,913 4.382,914 4.902,915 5.411,916 5.958,917 6.26,918 6.537,919 6.342,920 6.66,921 6.88,922 0.833,923 56,924 14.821,926 4.205,927 0.026,929 9.885,931 19.016,933 15.533,936 4.385,937 140.333,941 70.627,942 117.276,945 50.29,946 179.521,948 117.276,949 120.916,950 179.521,953 56.857,954 60.557,955 198.635,957 70.627,958 31.038,959 70.627,960 117.276,961 229.811,964 70.627,965 229.811,968 31.038,969 86.238,972 250.148,973 50.29,974 117.276,977 101.665,978 29.38,979 56.857,981 229.811,982 70.627,983 229.811,984 117.276,986 0.637,987 0.332,988 0.148,989 0.088,990 26,991 16,992 0.077,993 3,995 1,996 3.668,997 300.664,999 12,1000 108.98,1005 25.275,1006 7.855,1007 5.451,1009 229.811,1010 -1.445,1015 -11.817,1018 417.714,1019 41,1024 24.533,1028 -5.013,1031 43.759,1032 46.232,1034 0.32,1035 0.518,1036 0.566,1037 0.634,1038 0.714,1039 0.714,1040 5.094,1041 1.588,1042 6.184,1043 5.612,1044 4.691,1045 5.069,1046 4.387,1047 7.165,1048 4.513,1049 6.414,1050 1.344,1051 7.888,1052 4.608,1053 4.977,1054 5.308,1055 5.274,1056 8.718,1057 4.553,1058 7.811,1059 1.255,1060 9.705,1061 4.248,1062 6.608,1063 7.316,1064 6.803,1065 11.682,1066 6.237,1067 9.237,1068 1.071,1069 11.582,1070 3.62,1071 7.518,1072 8.193,1073 8.075,1074 13.852,1075 6.935,1076 10.685,1077 0.477,1078 13.49,1079 2.835,1080 8.843,1081 9.854,1082 9.444,1083 16.497,1084 8.262,1085 12.149,1086 -0.373,1087 15.418,1088 1.153,1089 9.95,1090 11,1091 10.775,1092 18.871,1093 9.218,1094 13.625,1095 -0.408,1096 17.358,1097 -1.045,1098 11.192,1099 12.528,1100 12.121,1101 21.42,1102 10.423,1103 3.467,1104 -0.826,1105 19.306,1106 -1.099,1107 12.366,1108 13.804,1109 13.461,1110 23.87,1111 11.489,1112 3.412,1113 12.604,1114 21.26,1115 -2.5,1116 13.586,1117 15.275,1118 14.803,1119 26.388,1120 12.654,1121 3.275,1122 12.386,1123 23.219,1124 4.256,1125 14.784,1126 16.62,1127 16.144,1128 28.869,1129 13.77,1130 3.27,1131 11.639,1132 25.181,1133 4.118,1134 15.999,1135 18.065,1136 17.486,1137 31.378,1138 14.927,1139 2.869,1140 11.638,1141 27.146,1142 3.569,1143 17.208,1144 19.447,1145 18.827,1146 33.873,1147 16.068,1148 2.37,1149 9.709,1150 29.113,1151 3.529,1152 18.423,1153 20.883,1154 20.169,1155 36.38,1156 17.226,1157 1.911,1158 7.867,1159 31.081,1160 3.284,1161 19.638,1162 22.286,1163 21.511,1164 38.883,1165 18.381,1166 10695,1167 29062,1168 18.493,1169 25.012,1170 54.383,1171 52.586,1172 55.26,1173 53.412,1174 52.615,1175 63.756,1176 30.602,1177 175.838,1178 47.611,1179 5.556,1180 6.483,1181 6.567,1182 5.394,1183 5.467,1184 7.256,1185 5.335,1186 20.656,1187 5.311,1188 27.12,1189 1.648,1190 1.594,1191 1.675,1192 1.619,1193 1.594,1194 1.932,1195 0.927,1196 5.328,1197 1.443,1198 4.04,1199 4.053,1200 4.024,1201 3.958,1202 8.525,1203 3.968,1204 3.934,1205 3.954,1206 3.914,1207 3.857,1208 8.509,1209 3.862,1210 3.509,1211 3.528,1212 3.535,1213 3.285,1214 8.509,1215 3.329,1216 3.459,1217 3.495,1218 3.503,1219 3.154,1220 8.509,1221 3.218,1222 3.391,1223 3.401,1224 3.413,1225 3.094,1226 7.999,1227 3.156,1228 3.088,1229 3.139,1230 3.122,1231 2.748,1232 7.999,1233 2.751,1234 3.056,1235 3.109,1236 3.055,1237 2.642,1238 7.999,1239 2.731,1240 2.871,1241 2.913,1242 2.772,1243 2.621,1244 7.999,1245 2.727,1246 0.142,1247 0.136,1248 0.222,1249 0.133,1250 0.105,1251 4.691,1252 0.129,1253 4.483,1254 0.116,1255 7.322,1256 0.382,1257 4.394,1258 0.1,1259 3.467,1260 4.256,1261 3.825,1262 12.604,1263 3.311,1264 1.97,1265 1.959,1266 2.026,1267 2.065,1268 1.176,1269 2.048,1270 1.899,1271 1.882,1272 1.969,1273 1.995,1274 1.12,1275 1.982,1276 1.339,1277 1.339,1278 1.385,1279 1.594,1280 0.415,1281 1.506,1282 1.209,1283 1.186,1284 1.227,1285 1.552,1286 0.327,1287 1.434,1288 1.163,1289 1.141,1290 1.223,1291 1.489,1292 0.29,1293 1.388,1294 0.865,1295 0.82,1296 1.099,1297 1.226,1298 0.175,1299 1.096,1300 0.758,1301 0.709,1302 0.866,1303 1.204,1305 1.095,1306 0.724,1307 0.683,1308 0.738,1309 1.033,1311 1.044,1312 4.205,1314 5.645,1316 7.244,1318 8.91,1320 10.615,1324 155.73,1334 -21.656,1340 28.77,1341 63.833,1342 103.382,1343 112.892,1344 126.402,1345 142.402,1346 142.402,1347 202.058,1348 7.176,1349 34.14,1350 34.14,1351 12,1352 12.909,1353 3.907,1354 3.17,1355 76.043,1356 116,1357 94,1358 0.326,1359 167.597,1360 342.74,1361 400.698,1362 10621,1363 31.6,1364 24.861,1365 0.777,1366 0.463,1367 14.861,1368 14.816,1369 14.242,1370 0.432,1371 0.239,1372 7.57,1373 12.93,1374 7.654,1375 6.106,1376 9.397,1377 7.902,1378 16.743,1379 0.31,1380 0.114,1381 8.837,1382 6.17,1383 10.654,1384 0.172,1385 0.065,1386 7.221,1387 4,1388 8.077,1389 0.106,1390 0.034,1391 5.398,1392 2.556,1393 6.433,1394 0.066,1395 0.017,1396 4.548,1397 1.67,1398 0.492,1399 95.607,1400 0.233,1401 28.846,1402 0.962,1403 174,1404 1386.8,1405 246.276,1406 998.093,1407 1204.04,1408 906,1409 203,1410 761.273,1411 249.667,1412 690.417,1413 1092.76,1414 642,1415 4}
{0 CHEMBL389192,1 1.408,2 18.579,3 8.118,4 65.904,5 157.753,6 6.899,7 0.5,8 4.407,9 4.542,10 3.911,11 3.991,12 5.351,13 3.931,14 4.99,15 5.181,16 4.256,17 4.416,18 5.878,19 4.314,20 5.308,21 5.564,22 4.305,23 4.545,24 6.118,25 4.408,26 5.3,27 5.557,28 4.237,29 4.504,30 6.13,31 4.361,32 5.284,33 5.551,34 4.141,35 4.475,36 6.055,37 4.314,38 5.291,39 5.562,40 4.137,41 4.452,42 6.088,43 4.277,44 5.274,45 5.556,46 4.02,47 4.395,48 6.034,49 4.198,50 5.179,51 5.464,52 3.87,53 4.286,54 5.926,55 4.082,56 0.078,57 1.092,58 17.529,59 7.46,60 8.779,61 10.523,62 0.217,63 1.822,64 33.114,65 13.278,66 23.175,67 18.963,68 0.362,69 2.293,70 49.324,71 17.572,72 41.843,73 25.369,74 0.476,75 2.286,76 48.718,77 16.655,78 50.367,79 24.32,80 0.359,81 2.21,82 46.805,83 17.023,84 40.279,85 24.706,86 0.458,87 2.147,88 48.456,89 17.697,90 48.947,91 25.359,92 0.386,93 2.029,94 50.458,95 17.663,96 48.191,97 25.06,98 0.403,99 1.815,100 48.382,101 16.021,102 46.354,103 22.662,104 5,105 56,106 0.216,107 0.516,108 0.69,109 0.828,110 0.872,111 0.884,112 3.667,113 1.052,114 -5.63,115 -5.5,116 -5.13,121 41.6,123 12,127 2,144 7,145 4,146 2,148 2,153 1,154 1,160 1,176 18,180 5,183 1,185 8,187 21,192 4,197 8,200 15,206 5,209 1,211 9,214 16,219 2,224 4,227 16,232 3,235 1,236 1,237 4,239 18,244 4,249 4,251 16,256 3,261 2,264 16,269 2,273 1,274 1,277 17,281 3014,282 26.38,283 26.38,284 26.38,285 26.38,286 26.38,287 23.756,288 21.925,289 16.236,290 26.718,291 20.817,292 20.817,293 20.817,294 20.817,295 20.817,296 16.708,297 19.791,298 7.813,299 21.398,300 4.859,301 2.896,302 1.762,303 0.857,304 0.571,305 0.494,306 4.379,308 1,313 1566,314 4.416,317 103.049,318 431.349,321 190.388,322 350.126,325 2.72,326 24.656,329 0.5,330 0.67,331 0.67,332 0.7,333 0.5,334 0.67,335 0.5,336 0.6,337 79.333,338 706,339 4.651,340 3.58,341 6.833,342 4.214,343 3.235,344 4.582,345 1.907,346 11.364,347 3.165,348 4.524,349 3.373,350 6.526,351 4.049,352 3.062,353 4.473,354 0.4,355 10.265,356 3.022,357 3.99,358 3.127,359 6.004,360 3.58,361 2.61,362 3.534,363 0.149,364 8.477,365 2.532,366 3.668,367 2.943,368 5.427,369 3.389,370 2.383,371 2.961,373 6.886,374 2.385,375 3.584,376 2.562,377 5.173,378 3.193,379 2.252,380 2.872,382 6.283,383 2.104,384 3.384,385 2.272,386 4.979,387 2.984,388 1.995,389 2.705,391 5.765,392 1.972,393 3.365,394 2.192,395 4.899,396 2.903,397 1.985,398 2.699,400 5.573,401 1.882,402 3.046,403 1.942,404 4.183,405 2.863,406 1.882,407 2.318,409 3.842,410 1.704,411 2.91,412 1.789,413 4.121,414 2.615,415 1.627,416 1.916,418 3.759,419 1.605,420 2.714,421 1.565,422 3.983,423 2.518,424 1.546,425 1.754,427 3.461,428 1.501,429 2.655,430 1.546,431 3.859,432 2.431,433 1.441,434 1.721,436 3.35,437 1.419,438 2.599,439 1.434,440 3.648,441 2.264,442 1.286,443 1.608,445 3.089,446 1.254,447 2.489,448 1.395,449 3.593,450 2.247,451 1.255,452 1.488,454 2.832,455 1.243,456 2.303,457 1.3,458 3.551,459 2.181,460 1.188,461 1.294,463 2.71,464 1.177,465 2.158,466 1.143,467 3.319,468 1.923,469 0.952,470 1.053,472 2.163,473 0.918,474 18.648,475 0.491,476 0.657,477 0.017,478 43.5,479 1.145,480 20,481 0.526,482 23.5,483 0.618,484 40.939,485 1.077,486 41.352,487 0.537,488 29.383,489 0.773,490 7.572,491 0.199,492 11.115,493 0.292,494 0.056,496 0.268,501 0.763,502 1.229,503 0.779,504 1.019,505 0.561,506 0.989,507 0.689,508 1.247,509 0.847,510 1.097,511 0.538,512 1.082,513 0.994,514 1.037,515 0.882,516 0.932,517 0.944,518 0.923,519 1.139,520 1.027,521 0.939,522 0.973,523 1.104,524 1.003,525 0.979,526 1.014,527 0.867,528 0.975,529 0.92,530 1.01,531 0.853,532 0.999,533 0.861,534 1.013,535 1.045,536 1.027,537 1.101,538 0.969,539 1.048,540 1.01,541 1.204,542 1.012,543 1.276,544 0.906,545 1.258,546 1.021,547 1.299,548 1.014,549 5,550 0.119,551 3.556,552 2.167,553 1.653,554 0.778,555 0.675,556 0.315,557 0.228,558 0.147,559 31717,560 69653,561 2.145,562 50.6,563 16,564 11,565 1,567 3,568 4,569 4,572 1.776,573 2.073,574 4.052,575 0.686,582 108.412,583 1.408,584 3.371,585 4.505,586 5.41,587 5.695,588 5.773,589 3.379,590 4.88,591 5.227,592 4.344,593 3054.07,594 9.132,595 59739.7,600 482.543,601 1.105,602 5.207,603 0.119,604 0.004,605 0.063,606 0.038,607 0.032,608 0.017,609 0.016,610 0.009,611 0.007,612 0.005,613 0.311,614 0.17,615 0.5,616 0.362,617 221.429,618 -0.029,619 -0.012,620 0.032,621 0.036,622 0.025,623 0.046,624 0.068,625 -0.128,626 -0.006,627 -0.077,628 0.095,629 -0.068,630 -0.03,631 -0.024,632 0.046,633 0.045,634 -0.014,635 0.059,636 -0.05,637 0.011,638 -0.042,639 -0.024,640 -0.055,641 -0.043,642 -0.068,643 -0.007,644 -0.021,645 -0.018,646 -0.031,647 -0.038,648 0.108,649 -0.033,650 0.029,651 -0.041,652 0.045,653 -0.046,654 -0.053,655 -0.043,656 -0.018,657 -0.024,658 -0.037,659 -0.026,660 -0.121,661 0.012,662 -0.098,663 -0.025,664 -0.099,665 -0.028,666 1.519,667 5.248,668 0.605,669 49.349,670 0.987,671 1.125,672 4.402,673 19.382,674 0.663,675 3.761,676 4.043,677 4.317,678 4.595,679 4.828,680 4.898,681 5.004,682 5.1,683 5.075,684 4.963,685 11.114,686 0.612,687 531.2,688 3.761,689 5.283,690 6.125,691 6.989,692 7.854,693 8.731,694 9.608,695 10.493,696 11.377,697 12.267,698 5.2,703 1,705 1,706 1,708 1,714 4,715 8,716 1,717 1,720 5,722 21,734 1,740 1,741 77,743 22,744 2,745 42,747 81,748 32,749 17,750 5,751 7,756 5,757 9,758 1,767 4,770 12,772 18,773 14,777 1,782 1,786 1,793 39,794 4,795 3,796 6,797 1,802 4,808 0.4,809 1,822 1,824 1,828 1,829 4,832 1,833 2,843 1,859 2,865 1,868 38,876 14,877 2,892 1,893 1.3,896 1,901 18.333,902 13.426,903 8.5,904 5.351,907 4.059,908 1.482,909 1.007,910 9.591,911 12.48,912 3.998,913 4.582,914 5.194,915 5.817,916 6.373,917 6.702,918 7.065,919 7.415,920 7.514,921 7.409,922 0.917,923 57,924 14.138,926 5.955,927 0.026,929 7.481,931 28.18,933 23.816,936 1.981,937 75.278,941 423.76,942 139.531,943 69.593,944 39.149,945 25.145,948 139.531,949 488.053,950 69.593,952 52.637,953 75.381,954 64.646,955 39.461,956 13.915,957 411.989,958 39.149,959 423.76,960 209.124,961 25.145,962 39.149,964 376.675,965 72.229,968 74.323,969 100.004,970 73.945,972 423.76,973 94.737,974 178.68,977 423.76,978 64.15,979 75.381,980 52.807,981 81.079,982 423.76,983 94.737,984 178.68,986 0.565,987 0.325,988 0.183,989 0.103,990 25,991 10,992 0.16,993 13,994 3,995 1.261,996 5.205,997 342.369,998 0.261,999 23,1000 199.421,1005 27.025,1006 13.486,1007 7.108,1008 4.548,1009 77.952,1010 16.35,1011 4.922,1012 3.283,1015 5.901,1017 52.807,1018 697.177,1019 53.5,1024 12.248,1028 0.148,1031 75.963,1032 86.62,1034 0.225,1035 0.538,1036 0.719,1037 0.863,1038 0.909,1039 0.921,1040 5.216,1041 1.882,1042 6.071,1043 5.573,1044 4.727,1045 5.27,1046 1.997,1047 6.851,1048 4.675,1049 6.393,1050 1.627,1051 7.599,1052 3.842,1053 4.111,1054 5.085,1055 1.593,1056 7.711,1057 4.016,1058 7.69,1059 1.546,1060 9.237,1061 3.759,1062 6.271,1063 7.516,1064 2.907,1065 10.862,1066 6.178,1067 9.031,1068 1.441,1069 10.946,1070 3.461,1071 6.567,1072 8.26,1073 3.032,1074 12.65,1075 6.444,1076 10.414,1077 1.286,1078 12.703,1079 3.35,1080 8.125,1081 10.136,1082 4.038,1083 15.301,1084 7.997,1085 11.827,1086 1.255,1087 14.494,1088 3.089,1089 8.874,1090 11.303,1091 4.409,1092 17.455,1093 8.724,1094 13.263,1095 1.188,1096 16.311,1097 2.832,1098 10.181,1099 12.961,1100 5.25,1101 19.943,1102 10.02,1103 3.235,1104 0.952,1105 18.145,1106 2.71,1107 11.15,1108 14.321,1109 5.75,1110 22.244,1111 10.969,1112 3.062,1113 11.364,1114 19.994,1115 2.163,1116 12.356,1117 15.891,1118 6.501,1119 24.678,1120 12.161,1121 2.61,1122 10.265,1123 21.854,1124 4.582,1125 13.427,1126 17.336,1127 7.068,1128 27.04,1129 13.212,1130 2.383,1131 8.477,1132 23.722,1133 4.473,1134 14.597,1135 18.87,1136 7.771,1137 29.457,1138 14.364,1139 2.252,1140 6.886,1141 25.597,1142 3.534,1143 15.714,1144 20.352,1145 8.374,1146 31.846,1147 15.461,1148 1.995,1149 6.283,1150 27.478,1151 2.961,1152 16.871,1153 21.872,1154 9.051,1155 34.259,1156 16.6,1157 1.985,1158 5.765,1159 29.363,1160 2.872,1161 18.009,1162 23.371,1163 9.674,1164 36.662,1165 17.718,1166 29047,1167 43253,1168 29.008,1169 51.04,1170 61.271,1171 62.747,1172 62.411,1173 61.409,1174 61.2,1175 78.489,1176 4.912,1177 168.166,1178 59.448,1179 5.627,1180 5.58,1181 6.757,1182 5.255,1183 5.235,1184 7.582,1185 3.306,1186 18.902,1187 5.165,1188 12.502,1189 1.459,1190 1.494,1191 1.486,1192 1.462,1193 1.457,1194 1.869,1195 0.117,1196 4.004,1197 1.415,1198 4.142,1199 4.176,1200 4.132,1201 4.064,1202 7.429,1203 4.068,1204 4.099,1205 4.129,1206 4.075,1207 4.027,1208 5.04,1209 4.031,1210 3.801,1211 3.866,1212 3.779,1213 3.674,1214 4.966,1215 3.659,1216 3.736,1217 3.78,1218 3.656,1219 3.655,1220 4.685,1221 3.639,1222 3.678,1223 3.739,1224 3.551,1225 3.511,1226 4.311,1227 3.512,1228 3.55,1229 3.615,1230 3.428,1231 3.415,1232 4.275,1233 3.401,1234 3.406,1235 3.473,1236 3.358,1237 3.243,1238 4.204,1239 3.246,1240 3.32,1241 3.388,1242 3.276,1243 3.18,1244 4.149,1245 3.174,1246 0.111,1247 0.085,1248 0.163,1249 0.1,1250 0.077,1251 4.651,1252 0.109,1253 3.58,1254 0.045,1255 6.833,1256 0.271,1257 4.214,1258 0.075,1259 3.235,1260 4.582,1261 1.907,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.149,1267 2.158,1268 1.438,1269 2.159,1270 1.941,1271 1.918,1272 2.048,1273 2.02,1274 1.402,1275 2.028,1276 1.799,1277 1.738,1278 2.037,1279 1.967,1280 1.247,1281 1.994,1282 1.75,1283 1.709,1284 1.928,1285 1.884,1286 1.209,1287 1.896,1288 1.691,1289 1.639,1290 1.898,1291 1.862,1292 1.14,1293 1.887,1294 1.6,1295 1.531,1296 1.841,1297 1.787,1298 1.045,1299 1.81,1300 1.405,1301 1.341,1302 1.649,1303 1.645,1304 0.915,1305 1.647,1306 1.302,1307 1.244,1308 1.524,1309 1.52,1310 0.755,1311 1.536,1312 4.443,1314 5.733,1315 2.398,1316 7.222,1317 4.727,1318 8.816,1319 6.823,1320 10.475,1323 6.245,1328 14.782,1329 6.851,1340 47.11,1341 108.412,1342 259.53,1343 346.891,1344 416.543,1345 438.543,1346 444.543,1347 66.345,1348 8.421,1349 69.81,1350 69.81,1351 29,1352 12.798,1353 4.524,1354 3.644,1355 60.008,1356 265,1357 214,1358 0.105,1359 290.991,1360 498.36,1361 701.777,1362 81863,1363 1.3,1364 26.158,1365 0.688,1366 0.605,1367 26.658,1368 23.008,1369 18.687,1370 0.445,1371 0.351,1372 14.297,1373 18.04,1374 13.996,1375 11.588,1376 18.975,1377 14.732,1378 16.084,1379 0.287,1380 0.196,1381 16.492,1382 10.975,1383 13.473,1384 0.182,1385 0.108,1386 13.735,1387 7.984,1388 11.376,1389 0.116,1390 0.06,1391 11.611,1392 5.84,1393 9.375,1394 0.076,1395 0.034,1396 9.606,1397 4.236,1398 0.179,1399 117.643,1400 0.186,1401 36.156,1402 0.256,1403 196,1404 446.583,1405 220.95,1406 473.693,1407 652.23,1408 446,1409 228,1410 464.668,1411 247.246,1412 483.136,1413 708.2,1414 460,1415 9.301}
{0 CHEMBL389283,1 1.219,2 10.333,3 2.937,4 8.625,5 75.938,6 6.06,7 0.632,8 3.73,9 3.878,10 3.129,11 3.263,12 4.647,13 3.192,14 4.276,15 4.494,16 3.327,17 3.617,18 5.075,19 3.498,20 4.561,21 4.849,22 3.233,23 3.719,24 5.214,25 3.531,26 4.518,27 4.826,28 2.988,29 3.613,30 5.097,31 3.385,32 4.417,33 4.731,34 2.899,35 3.506,36 4.985,37 3.279,38 4.311,39 4.622,40 2.82,41 3.408,42 4.898,43 3.187,44 4.194,45 4.501,46 2.737,47 3.305,48 4.804,49 3.088,50 4.054,51 4.351,52 2.662,53 3.171,54 4.7,55 2.961,56 0.052,57 0.564,58 9.741,59 3.768,60 7.828,61 5.633,62 0.123,63 0.895,64 16.681,65 5.901,66 12.625,67 9.081,68 0.146,69 1.055,70 21.336,71 7.994,72 15.547,73 12.07,74 0.127,75 0.963,76 20.095,77 7.858,78 13.438,79 11.698,80 0.109,81 0.86,82 18.043,83 7.16,84 11.922,85 10.612,86 0.1,87 0.778,88 16.257,89 6.387,90 11.156,91 9.497,92 0.117,93 0.697,94 14.499,95 5.732,96 10.641,97 8.441,98 0.069,99 0.612,100 12.57,101 4.951,102 10,103 7.374,105 22,106 0.22,107 0.455,108 0.591,109 0.652,110 0.652,111 0.652,112 2.956,113 1.11,114 -3.86,115 -3.82,116 -3.62,121 40,123 4,127 2,144 6,147 4,176 7,187 4,189 6,200 1,203 4,214 4,216 2,227 6,229 2,239 6,251 6,254 1,264 2,279 4,281 376,282 12.656,283 12.656,284 12.656,285 12.656,286 12.656,287 11.154,288 9.487,289 8.305,290 12.888,291 9.449,292 9.449,293 9.449,294 9.449,295 9.449,296 7.362,297 5,298 4.04,299 9.822,300 4.103,301 2.794,302 2.038,303 1.7,304 1.7,305 1.7,306 3.627,310 1,311 1,312 1,313 392,314 2.646,318 134.955,325 1.63,326 3.1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 37,338 186,339 3.898,340 2.633,341 5.341,342 3.457,343 2.527,344 3.445,346 6.968,347 2.351,348 3.895,349 2.623,350 5.339,351 3.445,352 2.517,353 3.444,355 6.963,356 2.336,357 2.981,358 1.792,359 3.837,360 2.783,361 1.786,362 2.132,364 3.622,365 1.78,366 2.938,367 1.595,368 3.661,369 2.54,370 1.552,371 2.106,373 3.219,374 1.531,375 2.685,376 1.452,377 3.529,378 2.395,379 1.414,380 1.702,382 2.97,383 1.383,384 2.5,385 1,386 3.247,387 1.984,388 1,389 1.5,391 2.136,392 0.983,393 2.5,394 1,395 3.247,396 1.984,397 1,398 1.5,400 2.136,401 0.983,402 2.129,403 1,404 3.163,405 1.983,406 1,407 1.101,409 2.112,410 0.981,411 1.459,412 0.374,413 2.667,414 1.308,415 0.331,416 0.363,418 0.722,419 0.323,420 0.934,421 -0.174,422 2.124,423 0.682,424 -0.287,425 -0.328,427 -0.641,428 -0.277,429 0.647,430 -0.615,431 1.555,432 0.302,433 -0.682,434 -0.833,436 -1.44,437 -0.67,438 0.5,439 -1,440 1.555,441 -0.01,442 -1,443 -1.236,445 -2.071,446 -0.946,447 0.5,448 -1,449 1.498,450 -0.049,451 -1,452 -1.5,454 -2.347,455 -0.946,456 0.283,457 -1,458 1.094,459 -0.049,460 -1,461 -1.5,463 -2.347,464 -0.989,465 -0.243,466 -1.339,467 0.953,468 -0.452,469 -1.414,470 -1.665,472 -3.154,473 -1.354,474 8.8,475 0.489,476 0.137,477 0.008,478 21,479 1.167,480 10,481 0.556,482 11,483 0.611,484 12.977,485 0.721,486 20,487 0.5,488 11.084,489 0.616,490 4.053,491 0.225,492 4.896,493 0.272,496 0.091,501 1.057,502 1.523,503 1.019,504 1.242,505 0.815,506 1.148,507 1.732,508 1.26,509 1.238,510 1.153,511 1.049,512 1.162,513 1.213,514 0.992,515 1.051,516 0.993,517 0.988,518 1.009,519 0.961,520 0.942,521 1.028,522 1.001,523 0.98,524 1.016,525 0.809,526 0.905,527 0.944,528 0.952,529 0.897,530 0.956,531 0.869,532 0.914,533 0.957,534 0.954,535 0.968,536 0.96,537 0.804,538 0.821,539 0.971,540 0.934,541 1.041,542 0.958,543 0.646,544 1.166,545 0.945,546 1.104,547 0.99,548 1.054,549 1.5,550 0.008,551 0.667,552 0.25,553 0.222,554 0.125,555 0.08,556 0.024,557 0.066,558 0.051,559 3567,560 6477,561 2.092,562 55,563 4,564 10,566 4,569 4,572 1.572,573 2.077,574 3.37,575 -0.873,577 1,579 1,582 48.77,583 1.219,584 2.528,585 3.284,586 3.622,587 3.622,588 3.622,589 2.725,590 2.725,591 4.147,592 3.508,593 536.712,594 6.963,595 5633.29,596 1,597 1,599 1,600 212.877,601 0.503,602 4.156,603 0.079,604 0.001,605 0.03,606 0.013,607 0.016,608 0.01,609 0.007,610 0.002,611 0.007,612 0.005,613 0.169,614 0.83,615 1,617 80.688,618 0.152,619 -0.286,620 0.065,621 -0.113,622 0.25,623 -0.044,624 -0.201,625 -0.105,626 -0.177,627 -0.14,628 -0.035,629 -0.154,630 -0.108,631 -0.005,632 -0.067,633 -0.031,634 -0.068,635 -0.044,636 -0.084,637 -0.013,638 -0.076,639 -0.045,640 -0.132,641 -0.057,642 -0.017,643 0.005,644 -0.001,645 0.005,646 -0.059,647 0.003,648 -0.029,649 0.005,650 -0.008,651 0.002,652 -0.092,653 -0.001,654 0.101,655 0.112,656 -0.015,657 0.021,658 -0.114,660 0.129,661 -0.241,662 0.005,663 -0.131,664 -0.026,665 -0.081,666 0.362,667 0.256,668 0.667,669 14.123,670 0.976,671 1.129,672 2.627,673 6.902,674 0.641,675 2.996,676 3.135,677 3.258,678 3.367,679 3.466,680 3.135,681 3.091,682 3.045,683 3.045,684 3.045,685 6.242,686 0.583,687 242.4,688 2.996,689 4.419,690 5.176,691 5.948,692 6.715,693 7.492,694 8.262,695 9.039,696 9.81,697 10.588,698 5,708 2,715 10,721 2,722 12,741 40,743 12,745 19,747 41,748 16,749 10,756 2,757 2,770 4,772 10,773 6,790 1,793 22,796 2,802 2,803 2,808 1,822 2,829 2,859 2,868 18,876 6,901 8.667,902 6.833,903 4.25,904 2.722,907 1.935,908 1.331,909 0.956,910 5.701,911 7.785,912 3.258,913 3.689,914 4.119,915 4.546,916 4.969,917 4.408,918 4.396,919 4.384,920 4.42,921 4.523,922 0.857,923 19,924 6.656,926 2.591,927 0.026,929 7.333,931 13.384,933 10.488,936 1.833,937 33,938 0.005,941 258.964,942 107.397,943 3.798,948 107.397,949 258.964,950 3.798,952 14.35,953 56.857,954 50.883,955 36.19,957 211.88,959 258.964,960 111.195,964 211.88,965 47.084,968 50.539,969 56.857,970 3.798,972 258.964,973 3.798,974 107.397,977 258.964,978 14.35,979 96.845,982 258.964,983 3.798,984 107.397,986 0.533,987 0.289,988 0.153,989 0.08,990 8,991 2,992 0.171,993 7,995 1,996 3.383,997 107.397,999 12,1000 49.059,1005 13.064,1006 7.855,1007 5.22,1010 21.038,1016 4.512,1018 370.159,1019 25,1031 39.04,1032 45.149,1034 0.229,1035 0.475,1036 0.617,1037 0.681,1038 0.681,1039 0.681,1040 4.369,1041 1,1042 5.017,1043 2.136,1044 3.807,1045 4.369,1047 5.565,1048 3.726,1049 5.457,1050 0.331,1051 6.392,1052 2.112,1053 2.565,1054 3.332,1056 5.784,1057 2.277,1058 6.65,1059 -0.287,1060 7.86,1061 0.722,1062 5.13,1063 6.338,1065 8.894,1066 4.934,1067 7.877,1068 -0.682,1069 9.39,1070 -0.641,1071 4.796,1072 6.184,1074 10.098,1075 4.328,1076 9.139,1077 -1,1078 10.964,1079 -1.44,1080 6.686,1081 8.567,1083 12.536,1084 6.349,1085 10.425,1086 -1,1087 12.569,1088 -2.071,1089 6.86,1090 8.872,1092 14.147,1093 6.253,1094 11.73,1095 -1,1096 14.196,1097 -2.347,1098 8.362,1099 10.907,1101 16.31,1102 7.87,1103 2.527,1104 -1.414,1105 15.839,1106 -2.347,1107 8.832,1108 11.483,1110 18.101,1111 8.095,1112 2.517,1113 6.968,1114 17.492,1115 -3.154,1116 10.107,1117 13.298,1119 20.144,1120 9.453,1121 1.786,1122 6.963,1123 19.152,1124 3.445,1125 10.755,1126 14.05,1128 22.016,1129 9.887,1130 1.552,1131 3.622,1132 20.817,1133 3.444,1134 11.893,1135 15.713,1137 24.003,1138 11.076,1139 1.414,1140 3.219,1141 22.485,1142 2.132,1143 12.649,1144 16.588,1146 25.912,1147 11.648,1148 1,1149 2.97,1150 24.156,1151 2.106,1152 13.704,1153 18.144,1155 27.875,1156 12.725,1157 1,1158 2.136,1159 25.828,1160 1.702,1161 14.525,1162 19.109,1164 29.801,1165 13.39,1166 3486,1167 4742,1168 13.288,1169 25.625,1170 26.284,1171 26.18,1172 26.377,1173 26.325,1174 26.255,1175 34.585,1177 61.693,1178 25.3,1179 4.824,1180 4.633,1181 5.167,1182 4.492,1183 4.527,1184 6.445,1186 11.756,1187 4.287,1189 1.383,1190 1.378,1191 1.388,1192 1.386,1193 1.382,1194 1.82,1196 3.247,1197 1.332,1198 3.979,1199 4.036,1200 3.895,1201 3.838,1202 4.813,1203 3.844,1204 3.928,1205 3.983,1206 3.854,1207 3.789,1208 4.788,1209 3.798,1210 3.662,1211 3.725,1212 3.502,1213 3.551,1214 4.139,1215 3.531,1216 3.369,1217 3.443,1218 3.192,1219 3.227,1220 3.923,1221 3.208,1222 3.055,1223 3.144,1224 2.884,1225 2.855,1226 3.703,1227 2.85,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 3.674,1239 2.715,1240 2.78,1241 2.879,1242 2.594,1243 2.555,1244 3.403,1245 2.554,1246 0.205,1247 0.139,1248 0.281,1249 0.182,1250 0.133,1251 3.898,1252 0.181,1253 2.633,1255 5.341,1256 0.367,1257 3.457,1258 0.124,1259 2.527,1260 3.445,1262 6.968,1263 2.351,1264 1.917,1265 1.866,1266 2.082,1267 2.086,1268 1.388,1269 2.087,1270 1.892,1271 1.843,1272 2.031,1273 2.058,1274 1.186,1275 2.054,1276 1.688,1277 1.63,1278 1.914,1279 1.837,1280 1.03,1281 1.869,1282 1.394,1283 1.323,1284 1.681,1285 1.575,1286 0.887,1287 1.615,1288 1.052,1289 0.964,1290 1.379,1291 1.291,1292 0.612,1293 1.326,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.289,1299 1.107,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.765,1307 0.669,1308 1.109,1309 1.038,1310 0.218,1311 1.069,1312 3.664,1314 4.844,1316 6.217,1318 7.67,1320 9.16,1328 7.45,1340 23.311,1341 48.77,1342 101.129,1343 131.367,1344 144.877,1345 144.877,1346 144.877,1347 19.899,1348 5.849,1349 7.76,1350 7.76,1351 12,1352 11.205,1353 3.7,1354 2.807,1355 31.511,1356 69,1357 48,1358 0.218,1359 148.413,1360 247.64,1361 353.887,1362 2544,1364 12.468,1365 0.693,1366 0.612,1367 12.468,1368 11.016,1369 8.949,1370 0.471,1371 0.37,1372 6.966,1373 8.736,1374 6.846,1375 5.773,1376 8.949,1377 7.028,1378 7,1379 0.318,1380 0.222,1381 7,1382 4.885,1383 5.424,1384 0.217,1385 0.135,1386 5.424,1387 3.367,1388 4.171,1389 0.149,1390 0.082,1391 4.171,1392 2.301,1393 3.187,1394 0.103,1395 0.05,1396 3.187,1397 1.561,1398 0.362,1399 54.922,1400 0.274,1401 19.193,1402 0.541,1403 82,1404 150.666,1405 86.163,1406 153.814,1407 215.16,1408 146,1409 88,1410 160.507,1411 92.996,1412 164.586,1413 230.88,1414 156,1415 4.201}
{0 CHEMBL389825,1 1.434,2 14,3 4.986,4 24.863,5 128.546,6 7.426,7 0.5,8 4.187,9 4.282,10 3.756,11 3.72,12 5.317,13 3.709,14 4.711,15 4.868,16 4.084,17 4.08,18 5.791,19 4.062,20 4.859,21 4.993,22 4.215,23 4.259,24 5.945,25 4.215,26 5.068,27 5.267,28 4.18,29 4.293,30 6.097,31 4.218,32 5.075,33 5.276,34 4.097,35 4.275,36 6.106,37 4.185,38 5.06,39 5.294,40 3.934,41 4.207,42 6.016,43 4.087,44 4.896,45 5.139,46 3.837,47 4.091,48 5.828,49 3.964,50 4.799,51 5.028,52 3.779,53 3.959,54 5.801,55 3.863,56 0.019,57 0.767,58 12.082,59 5.881,60 8.353,61 7.124,62 0.426,63 1.238,64 23.823,65 9.125,66 34.236,67 11.211,68 0.238,69 1.449,70 25.797,71 11.518,72 24.086,73 14.286,74 0.502,75 1.731,76 35.416,77 13.683,78 48.896,79 17.835,80 0.529,81 1.724,82 36.029,83 13.762,84 58.142,85 17.77,86 0.591,87 1.671,88 37.039,89 13.819,90 62.706,91 18.38,92 0.332,93 1.447,94 30.688,95 12.375,96 43.954,97 17.015,98 0.47,99 1.28,100 28.498,101 10.54,102 51.768,103 13.938,104 35,105 50,106 0.231,107 0.525,108 0.692,109 0.788,110 0.824,111 0.852,112 3.531,113 0.885,114 -4.97,115 -4.87,116 -4.57,121 45,126 4,127 2,137 1,138 1,144 10,145 4,146 4,160 1,176 14,179 1,180 10,187 16,191 1,192 13,200 13,205 2,206 13,214 8,218 1,219 9,227 9,231 1,232 6,239 11,243 1,244 6,251 11,255 2,256 7,264 9,269 5,277 6,281 1930,282 22.574,283 22.574,284 22.574,285 22.574,286 22.574,287 20.138,288 26.257,289 13.151,290 23.28,291 17.584,292 17.584,293 17.584,294 17.584,295 17.584,296 13.66,297 33.34,298 5.986,299 18.417,300 4.473,301 2.646,302 1.613,303 1.013,304 0.788,305 0.617,306 4.227,311 1,312 1,313 990,314 3.606,318 427.881,322 164.154,325 2.303,326 27.557,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 71.5,338 462,339 4.511,340 3.729,341 6.553,342 4.125,343 3.149,344 4.166,345 1.674,346 10.396,347 3.074,348 4.247,349 3.234,350 6.271,351 3.86,352 2.89,353 3.834,354 0.995,355 9.454,356 2.8,357 4.204,358 3.194,359 6.154,360 3.831,361 2.863,362 3.804,363 0.86,364 9.093,365 2.767,366 3.913,367 2.902,368 5.835,369 3.551,370 2.582,371 3.366,372 0.86,373 7.957,374 2.505,375 3.661,376 2.7,377 5.484,378 3.325,379 2.378,380 2.99,381 0.86,382 7.342,383 2.24,384 3.359,385 2.596,386 5.055,387 3.04,388 2.083,389 2.539,390 0.359,391 5.839,392 1.981,393 3.198,394 2.294,395 4.83,396 2.86,397 1.901,398 2.354,400 5.456,401 1.807,402 3.075,403 2.208,404 4.706,405 2.678,406 1.717,407 2.227,409 4.98,410 1.639,411 2.917,412 1.868,413 4.24,414 2.47,415 1.518,416 2.085,418 3.847,419 1.439,420 2.766,421 1.677,422 4.14,423 2.376,424 1.392,425 1.835,427 3.424,428 1.365,429 2.641,430 1.485,431 3.616,432 2.185,433 1.276,434 1.584,436 3.003,437 1.146,438 2.5,439 1.163,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.019,448 1.003,449 3.4,450 1.611,451 0.667,452 0.851,454 1.492,455 0.619,456 1.721,457 1,458 2.966,459 1.428,460 0.531,461 0.614,463 0.904,464 0.47,465 1.496,466 0.94,467 2.849,468 1.233,469 0.384,470 0.415,472 0.53,473 0.323,474 15.567,475 0.472,476 0.742,477 0.022,478 44,479 1.333,480 23,481 0.697,482 21,483 0.636,484 26.654,485 0.808,486 35.433,487 0.591,488 36.61,489 1.109,490 9.339,491 0.283,492 6.677,493 0.202,494 0.15,496 0.347,501 0.813,502 1.278,503 0.767,504 1.159,505 0.655,506 0.988,507 1.23,508 0.745,509 0.868,510 0.701,511 0.752,512 0.702,513 0.87,514 1.273,515 0.962,516 1.222,517 0.746,518 1.13,519 0.936,520 1.076,521 0.972,522 1.044,523 0.91,524 1.018,525 1.073,526 1.082,527 1.103,528 1.077,529 1.198,530 1.09,531 0.971,532 0.899,533 1.041,534 0.934,535 1.085,536 0.987,537 0.518,538 1.015,539 0.838,540 1.025,541 0.575,542 0.999,543 1.003,544 0.839,545 0.937,546 0.855,547 1.384,548 0.882,549 7,550 0.206,551 3.778,552 2.25,553 2.413,554 1.146,555 0.908,556 0.436,557 0.295,558 0.229,559 16622,560 44243,561 2.061,562 45,564 27,572 1.748,573 1.922,574 3.749,575 -0.811,582 86.04,583 1.434,584 3.261,585 4.294,586 4.894,587 5.119,588 5.29,589 3.268,590 4.718,591 5.015,592 3.956,593 2088.95,594 8.757,595 32434.6,597 1,600 354.413,601 1.434,602 4.971,603 0.194,604 0.009,605 0.076,606 0.041,607 0.047,608 0.025,609 0.023,610 0.012,611 0.009,612 0.008,613 0.444,614 0.17,615 1,616 0.88,617 177.99,618 -0.009,619 -0.178,620 0.07,621 -0.112,622 -0.037,623 -0.025,624 -0.084,625 0.33,626 0.088,627 0.279,628 0.041,629 0.233,630 0.029,631 -0.227,632 -0.071,633 -0.197,634 0.036,635 -0.161,636 0.028,637 -0.067,638 -0.003,639 -0.062,640 0.035,641 -0.043,642 -0.06,643 -0.084,644 -0.126,645 -0.098,646 -0.063,647 -0.119,648 -0.04,649 0.068,650 -0.044,651 0.044,652 -0.043,653 0.008,654 0.129,655 -0.055,656 0.12,657 -0.022,658 0.157,659 0.035,660 -0.007,661 0.131,662 0.069,663 0.12,664 -0.055,665 0.107,666 2.059,667 5.655,668 0.667,669 39.166,670 1.004,671 1.116,672 3.742,673 14.003,674 0.67,675 3.611,676 3.932,677 4.22,678 4.477,679 4.727,680 4.787,681 4.934,682 5.069,683 5.153,684 5.17,685 8.268,686 0.641,687 445.55,688 3.611,689 5.153,690 6.009,691 6.889,692 7.76,693 8.643,694 9.521,695 10.407,696 11.288,697 12.175,698 1.7,701 1,715 10,720 8,722 18,739 3,741 60,743 20,744 3,745 36,747 63,748 27,749 18,750 8,751 10,752 3,756 4,757 5,772 21,773 6,777 2,782 1,784 1,786 2,793 27,794 6,796 6,802 1,808 0.75,809 5,829 4,833 1,846 1,849 1,850 1,855 1,859 3,864 4,868 33,876 2,878 4,881 1,893 8.3,896 1,898 4,901 17.167,902 12.2,903 7.472,904 3.268,907 3.783,908 1.468,909 0.967,910 7.138,911 11.864,912 3.871,913 4.46,914 5.045,915 5.593,916 6.157,917 6.392,918 6.77,919 7.152,920 7.49,921 7.755,922 1,923 55,924 12.171,926 5.051,927 0.026,929 7.702,931 23.209,933 18.489,936 2.202,937 72.667,940 1,941 317.82,942 193.589,943 3.124,945 69.144,948 193.589,949 386.964,950 3.124,951 41.046,952 4.211,953 104.239,954 32.336,955 84.025,957 317.82,959 317.82,960 196.713,961 69.144,964 317.82,965 69.144,968 7.336,969 179.901,970 9.476,972 317.82,973 72.269,974 193.589,977 317.82,978 48.304,979 148.409,981 69.144,982 317.82,983 72.269,984 193.589,986 0.574,987 0.351,988 0.194,989 0.106,990 23,991 11,992 0.127,993 8,994 1,995 1.091,996 4.394,997 299.518,998 0.091,999 22,1000 162.465,1005 23.055,1006 10.216,1007 5.115,1009 72.269,1010 19.468,1015 6.292,1018 583.677,1019 47,1024 12.655,1026 1.825,1028 0.111,1031 60.225,1032 66.943,1034 0.243,1035 0.552,1036 0.727,1037 0.828,1038 0.867,1039 0.896,1040 5.109,1041 1.717,1042 5.994,1043 5.456,1044 4.615,1045 5.147,1046 2.572,1047 6.808,1048 4.536,1049 6.315,1050 1.518,1051 7.556,1052 4.98,1053 4.205,1054 4.934,1055 0.325,1056 7.703,1057 4.1,1058 7.624,1059 1.392,1060 9.215,1061 3.847,1062 6.217,1063 7.324,1064 3.066,1065 10.783,1066 6.079,1067 8.967,1068 1.276,1069 10.928,1070 3.424,1071 6.608,1072 7.9,1073 0.504,1074 12.466,1075 6.439,1076 10.339,1077 1,1078 12.677,1079 3.003,1080 8.083,1081 9.77,1082 3.886,1083 15.057,1084 7.894,1085 11.733,1086 0.667,1087 14.448,1088 2.275,1089 8.848,1090 10.721,1091 0.585,1092 17.075,1093 8.626,1094 13.143,1095 0.531,1096 16.236,1097 1.492,1098 10.104,1099 12.359,1100 4.848,1101 19.487,1102 9.865,1103 3.149,1104 0.384,1105 18.036,1106 0.904,1107 11.049,1108 13.508,1109 0.622,1110 21.658,1111 10.778,1112 2.89,1113 10.396,1114 19.846,1115 0.53,1116 12.213,1117 15.031,1118 5.857,1119 24.002,1120 11.925,1121 2.863,1122 9.454,1123 21.663,1124 4.166,1125 13.245,1126 16.288,1127 0.639,1128 26.244,1129 12.927,1130 2.582,1131 9.093,1132 23.486,1133 3.834,1134 14.374,1135 17.751,1136 6.882,1137 28.564,1138 14.037,1139 2.378,1140 7.957,1141 25.315,1142 3.804,1143 15.448,1144 19.069,1145 0.646,1146 30.842,1147 15.084,1148 2.083,1149 7.342,1150 27.147,1151 3.366,1152 16.566,1153 20.501,1154 7.91,1155 33.156,1156 16.181,1157 1.901,1158 5.839,1159 28.984,1160 2.99,1161 17.662,1162 21.855,1163 0.648,1164 35.454,1165 17.252,1166 15913,1167 26155,1168 23.868,1169 40.176,1170 53.342,1171 55.131,1172 55.695,1173 52.769,1174 52.864,1175 68.569,1176 11.216,1177 152.441,1178 50.55,1179 5.405,1180 5.729,1181 6.248,1182 5.216,1183 5.149,1184 7.166,1185 3.349,1186 17.269,1187 5.074,1188 17.608,1189 1.482,1190 1.531,1191 1.547,1192 1.466,1193 1.468,1194 1.905,1195 0.312,1196 4.234,1197 1.404,1198 4.049,1199 4.063,1200 4.011,1201 3.976,1202 7.433,1203 3.981,1204 3.933,1205 3.956,1206 3.876,1207 3.853,1208 4.968,1209 3.854,1210 3.867,1211 3.887,1212 3.813,1213 3.801,1214 4.86,1215 3.801,1216 3.569,1217 3.616,1218 3.5,1219 3.406,1220 4.735,1221 3.421,1222 3.436,1223 3.472,1224 3.323,1225 3.231,1226 4.528,1227 3.243,1228 3.249,1229 3.315,1230 3.063,1231 2.971,1232 4.494,1233 2.98,1234 3.249,1235 3.314,1236 3.062,1237 2.953,1238 4.39,1239 2.965,1240 3.151,1241 3.216,1242 2.991,1243 2.927,1244 4.192,1245 2.929,1246 0.125,1247 0.104,1248 0.182,1249 0.115,1250 0.087,1251 4.511,1252 0.116,1253 3.729,1254 0.047,1255 6.553,1256 0.289,1257 4.125,1258 0.085,1259 3.149,1260 4.166,1261 1.674,1262 10.396,1263 3.074,1264 1.992,1265 1.979,1266 2.079,1267 2.081,1268 1.246,1269 2.078,1270 1.911,1271 1.887,1272 2.019,1273 2.02,1274 1.164,1275 2.019,1276 1.854,1277 1.837,1278 1.947,1279 1.948,1280 1.083,1281 1.95,1282 1.514,1283 1.471,1284 1.733,1285 1.729,1286 0.866,1287 1.732,1288 1.371,1289 1.323,1290 1.598,1291 1.607,1292 0.649,1293 1.596,1294 1.197,1295 1.125,1296 1.576,1297 1.524,1298 0.575,1299 1.54,1300 1.191,1301 1.116,1302 1.572,1303 1.512,1304 0.573,1305 1.532,1306 1.131,1307 1.058,1308 1.435,1309 1.368,1310 0.555,1311 1.391,1312 4.29,1314 5.609,1316 7.135,1318 8.754,1320 10.421,1322 6.881,1328 1.535,1330 21.68,1333 2.219,1340 38.444,1341 86.04,1342 195.631,1343 257.645,1344 293.619,1345 307.129,1346 317.394,1347 56.606,1348 8.081,1349 61.14,1350 61.14,1351 24,1352 12.707,1353 4.392,1354 3.585,1355 54.729,1356 166,1357 144,1358 0.161,1359 234.764,1360 419.43,1361 564.585,1362 40401,1364 23.372,1365 0.708,1366 0.583,1367 23.372,1368 19.254,1369 16.016,1370 0.445,1371 0.295,1372 10.414,1373 15.266,1374 10.009,1375 8.405,1376 16.016,1377 10.617,1378 14.011,1379 0.28,1380 0.157,1381 14.011,1382 7.874,1383 12.102,1384 0.181,1385 0.083,1386 12.102,1387 5.589,1388 10.183,1389 0.117,1390 0.045,1391 10.183,1392 3.929,1393 8.386,1394 0.075,1395 0.024,1396 8.386,1397 2.678,1398 0.259,1399 101.532,1400 0.205,1401 31.149,1402 0.42,1403 172,1404 538.323,1405 188.916,1406 505.259,1407 689.11,1408 476,1409 203,1410 498.306,1411 220.891,1412 510.356,1413 742.45,1414 472,1415 7.207}
{0 CHEMBL390083,1 1.414,2 13.567,3 4.716,4 22.243,5 117.24,6 7.337,7 0.545,8 4.1,9 4.198,10 3.662,11 3.653,12 5.192,13 3.634,14 4.633,15 4.79,16 3.989,17 4.015,18 5.666,19 3.986,20 4.849,21 5.017,22 4.093,23 4.149,24 5.892,25 4.102,26 4.953,27 5.16,28 4.008,29 4.129,30 6.012,31 4.048,32 4.882,33 5.102,34 3.829,35 4.086,36 5.818,37 3.969,38 4.906,39 5.159,40 3.67,41 3.991,42 5.77,43 3.853,44 4.718,45 4.961,46 3.533,47 3.86,48 5.534,49 3.717,50 4.673,51 4.929,52 3.456,53 3.746,54 5.53,55 3.607,56 0.001,57 0.706,58 11.221,59 5.409,60 7.302,61 6.685,62 0.197,63 1.167,64 21.649,65 8.577,66 21.015,67 10.736,68 0.206,69 1.396,70 27.468,71 11.056,72 30.459,73 13.882,74 0.67,75 1.509,76 32.759,77 11.981,78 62.495,79 15.579,80 0.236,81 1.444,82 29.681,83 11.785,84 41.973,85 15.717,86 0.521,87 1.432,88 32.573,89 11.681,90 54.768,91 15.788,92 0.205,93 1.213,94 25.794,95 10.057,96 29.058,97 13.721,98 0.451,99 1.118,100 25.884,101 9.392,102 42.11,103 12.769,104 11,105 45,106 0.232,107 0.527,108 0.728,109 0.841,110 0.891,111 0.897,112 3.44,113 0.913,114 -4.33,115 -4.27,116 -4.03,121 45.5,123 1,126 2,127 3,144 11,145 3,146 4,159 1,176 10,180 13,187 12,192 9,200 7,205 4,206 10,214 9,219 2,227 8,231 1,232 7,239 7,244 4,251 2,255 2,256 5,264 4,269 1,277 5,281 1464,282 20.646,283 20.646,284 20.646,285 20.646,286 20.646,287 18.39,288 24.626,289 12.352,290 21.144,291 16.248,292 16.248,293 16.248,294 16.248,295 16.248,296 12.769,297 33.018,298 5.793,299 16.952,300 4.367,301 2.571,302 1.351,303 0.659,304 0.355,305 0.318,306 4.14,311 1,312 1,313 888,314 3.606,318 328.275,322 244.308,325 2.062,326 25.53,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 64.5,338 407,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 0.916,346 11.061,347 3.18,348 4.204,349 3.177,350 6.153,351 3.833,352 2.868,353 3.805,354 0.86,355 9.086,356 2.768,357 4.048,358 2.995,359 6.011,360 3.613,361 2.643,362 3.676,363 0.86,364 8.529,365 2.563,366 3.618,367 2.821,368 5.408,369 3.246,370 2.306,371 2.964,372 0.86,373 6.913,374 2.176,375 3.344,376 2.654,377 5.125,378 3.19,379 2.247,380 2.505,381 0.172,382 6.078,383 2.097,384 3.301,385 2.489,386 5.039,387 2.944,388 2.008,389 2.384,391 6.025,392 1.858,393 2.917,394 1.941,395 4.28,396 2.516,397 1.564,398 2.087,400 3.982,401 1.486,402 2.905,403 1.708,404 4.125,405 2.452,406 1.474,407 2.081,409 3.384,410 1.435,411 2.826,412 1.584,413 3.719,414 2.427,415 1.435,416 1.925,418 3.101,419 1.42,420 2.715,421 1.48,422 3.631,423 2.265,424 1.305,425 1.81,427 3.047,428 1.247,429 2.478,430 1.37,431 3.557,432 2.239,433 1.254,434 1.451,436 2.849,437 1.23,438 2.365,439 1.298,440 3.471,441 1.88,442 0.853,443 1.248,445 2.039,446 0.869,447 1.731,448 0.94,449 2.988,450 1.45,451 0.544,452 0.628,454 1.066,455 0.487,456 1.529,457 0.762,458 2.911,459 1.306,460 0.398,461 0.431,463 0.758,464 0.358,465 1.39,466 0.512,467 2.731,468 0.967,474 14.233,475 0.474,476 0.606,477 0.02,478 40,479 1.333,480 21,481 0.7,482 19,483 0.633,484 23.301,485 0.777,486 31.967,487 0.581,488 30.052,489 1.002,490 8.217,491 0.274,492 6.435,493 0.215,494 0.094,496 0.309,501 0.787,502 1.247,503 0.775,504 1.125,505 0.623,506 0.976,507 1.222,508 0.927,509 0.917,510 0.887,511 0.765,512 0.844,513 1.211,514 1.127,515 0.973,516 1.088,517 0.921,518 1.006,519 1.116,520 0.922,521 1.022,522 0.926,523 1.146,524 0.954,525 0.909,526 1.144,527 1.061,528 1.137,529 1.141,530 1.126,531 1.071,532 0.869,533 1.055,534 0.88,535 0.73,536 0.949,537 0.81,538 1.118,539 1.04,540 1.127,541 0.575,542 1.122,543 0.941,544 0.86,545 0.98,546 0.887,547 0.928,548 0.934,549 5,550 0.132,551 3.111,552 2,553 1.933,554 0.701,555 0.504,556 0.208,557 0.193,558 0.158,559 13991,560 35143,561 2.107,562 45.5,564 23,570 2,572 1.72,573 2,574 3.699,575 -0.825,582 77.782,583 1.414,584 3.21,585 4.43,586 5.122,587 5.427,588 5.463,589 3.099,590 4.507,591 4.883,592 3.906,593 1699.28,594 8.468,595 25379.4,597 1,600 317.975,601 1.295,602 4.851,603 0.152,604 0.006,605 0.069,606 0.042,607 0.046,608 0.02,609 0.017,610 0.008,611 0.008,612 0.007,613 0.375,614 0.33,615 1,616 0.659,617 158.428,618 -0.001,619 -0.154,620 0.07,621 -0.087,622 -0.024,623 -0.013,624 -0.131,625 0.15,626 0.027,627 0.092,628 -0.02,629 0.094,630 -0.084,631 -0.115,632 -0.012,633 -0.099,634 0.026,635 -0.051,636 0.113,637 0.068,638 -0.008,639 0.037,640 0.1,642 -0.054,643 -0.161,644 -0.097,645 -0.152,646 -0.082,647 -0.135,648 -0.039,649 0.09,650 -0.03,651 0.079,652 -0.002,653 0.036,654 -0.023,655 -0.152,656 -0.064,657 -0.147,658 -0.014,659 -0.118,660 0.083,661 0.081,662 0.049,663 0.079,664 -0.021,665 0.059,666 1.684,667 5.615,668 0.667,669 31.707,670 1,671 1.115,672 3.101,673 9.616,674 0.672,675 3.526,676 3.829,677 4.111,678 4.369,679 4.605,680 4.644,681 4.736,682 4.836,683 4.92,684 4.86,685 8.139,686 0.64,687 403.51,688 3.526,689 5.056,690 5.905,691 6.777,692 7.643,693 8.521,694 9.395,695 10.279,696 11.157,697 12.044,698 1.8,701 1,715 11,720 7,722 18,727 1,739 3,741 55,743 19,744 3,745 33,747 58,748 25,749 18,750 7,751 11,752 1,756 4,757 7,770 1,772 19,773 6,777 1,782 1,786 1,793 25,794 5,796 5,802 1,808 0.5,809 4,829 4,833 2,855 1,859 2,864 2,868 30,876 4,878 3,881 1,893 7.3,896 1,898 3,901 15,902 10.533,903 6.722,904 3.24,907 3.412,908 1.434,909 0.979,910 6.362,911 11.277,912 3.784,913 4.35,914 4.925,915 5.473,916 5.999,917 6.174,918 6.507,919 6.845,920 7.171,921 7.352,922 0.889,923 48,924 11.102,926 4.657,927 0.026,929 7.661,931 21.344,933 17.266,936 2.161,937 64.833,939 1,940 1,941 294.278,942 170.52,943 3.124,945 58.145,948 170.52,949 352.422,950 3.124,951 19.279,952 11.338,953 104.239,954 30.278,955 66.654,957 294.278,959 294.278,960 173.645,961 58.145,964 270.735,965 81.687,968 14.463,969 159.182,972 294.278,973 61.269,974 170.52,977 294.278,978 47.002,979 126.642,981 58.145,982 294.278,983 61.269,984 170.52,986 0.571,987 0.341,988 0.19,989 0.103,990 21,991 9,992 0.138,993 8,994 2,995 1.2,996 4.292,997 256.746,998 0.2,999 20,1000 147.207,1005 20.454,1006 9.331,1007 4.69,1009 61.269,1010 20.748,1015 5.072,1018 526.067,1019 43,1024 12.615,1028 -0.017,1031 55.014,1032 61.318,1034 0.245,1035 0.555,1036 0.766,1037 0.886,1038 0.939,1039 0.945,1040 5.007,1041 1.474,1042 5.872,1043 3.982,1044 4.511,1045 5.037,1046 1.938,1047 6.671,1048 4.437,1049 6.192,1050 1.435,1051 7.42,1052 3.384,1053 4.007,1054 4.732,1055 0.325,1056 7.551,1057 3.907,1058 7.484,1059 1.305,1060 9.071,1061 3.101,1062 6.084,1063 7.186,1064 1.656,1065 10.671,1066 5.954,1067 8.814,1068 1.254,1069 10.786,1070 3.047,1071 6.431,1072 7.722,1073 0.393,1074 12.402,1075 6.29,1076 10.179,1077 0.853,1078 12.542,1079 2.849,1080 7.947,1081 9.631,1082 1.418,1083 15.038,1084 7.784,1085 11.569,1086 0.544,1087 14.327,1088 2.039,1089 8.705,1090 10.574,1091 0.384,1092 17.126,1093 8.539,1094 12.979,1095 0.398,1096 16.132,1097 1.066,1098 9.989,1099 12.236,1100 1.207,1101 19.599,1102 9.807,1103 3.215,1105 17.954,1106 0.758,1107 10.949,1108 13.391,1109 0.351,1110 21.847,1111 10.765,1112 2.868,1113 11.061,1114 19.787,1116 12.139,1117 14.931,1118 1.019,1119 24.264,1120 11.944,1121 2.643,1122 9.086,1123 21.631,1124 4.198,1125 13.196,1126 16.199,1127 0.312,1128 26.587,1129 12.998,1130 2.306,1131 8.529,1132 23.484,1133 3.805,1134 14.353,1135 17.675,1136 0.852,1137 28.986,1138 14.146,1139 2.247,1140 6.913,1141 25.343,1142 3.676,1143 15.457,1144 19.007,1145 0.273,1146 31.345,1147 15.245,1148 2.008,1149 6.078,1150 27.208,1151 2.964,1152 16.604,1153 20.452,1154 0.706,1155 33.74,1156 16.385,1157 1.564,1158 6.025,1159 29.078,1160 2.505,1161 17.732,1162 21.819,1163 0.236,1164 36.119,1165 17.507,1166 13149,1167 21018,1168 22.364,1169 36.96,1170 48.752,1171 50.265,1172 50.03,1173 48.246,1174 48.226,1175 62.386,1176 7.338,1177 135.834,1178 46.346,1179 5.487,1180 5.692,1181 6.469,1182 5.301,1183 5.215,1184 7.198,1185 1.776,1186 18.6,1187 5.18,1188 12.743,1189 1.477,1190 1.523,1191 1.516,1192 1.462,1193 1.461,1194 1.89,1195 0.222,1196 4.116,1197 1.404,1198 4.048,1199 4.055,1200 4.014,1201 3.965,1202 7.427,1203 3.974,1204 3.935,1205 3.964,1206 3.872,1207 3.855,1208 4.948,1209 3.855,1210 3.781,1211 3.807,1212 3.715,1213 3.711,1214 4.858,1215 3.708,1216 3.655,1217 3.72,1218 3.52,1219 3.485,1220 4.708,1221 3.483,1222 3.361,1223 3.427,1224 3.24,1225 3.151,1226 4.398,1227 3.16,1228 3.249,1229 3.315,1230 3.083,1231 3.037,1232 4.375,1233 3.044,1234 3.185,1235 3.203,1236 3.061,1237 2.967,1238 4.218,1239 2.976,1240 2.986,1241 3.05,1242 2.902,1243 2.812,1244 4.067,1245 2.824,1246 0.138,1247 0.112,1248 0.205,1249 0.127,1250 0.097,1251 4.553,1252 0.127,1253 3.692,1254 0.028,1255 6.774,1256 0.335,1257 4.203,1258 0.096,1259 3.215,1260 4.198,1261 0.916,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.058,1267 2.084,1268 1.255,1269 2.073,1270 1.91,1271 1.885,1272 2.032,1273 2.022,1274 1.165,1275 2.027,1276 1.775,1277 1.751,1278 1.913,1279 1.889,1280 1.113,1281 1.898,1282 1.639,1283 1.572,1284 1.857,1285 1.816,1286 0.974,1287 1.832,1288 1.328,1289 1.256,1290 1.635,1291 1.578,1292 0.783,1293 1.6,1294 1.197,1295 1.125,1296 1.573,1297 1.512,1298 0.574,1299 1.532,1300 1.126,1301 1.107,1302 1.361,1303 1.313,1304 0.503,1305 1.294,1306 0.996,1307 0.911,1308 1.264,1309 1.219,1310 0.415,1311 1.272,1312 4.205,1314 5.509,1316 7.024,1318 8.64,1320 10.313,1322 3.781,1328 3.175,1330 17.216,1333 2.243,1340 35.202,1341 77.782,1342 176.564,1343 243.656,1344 281.71,1345 298.465,1346 300.465,1347 50.284,1348 7.865,1349 51.91,1350 51.91,1351 24,1352 12.577,1353 4.322,1354 3.459,1355 47.558,1356 151,1357 120,1358 0.152,1359 214.511,1360 378.68,1361 515.166,1362 33365,1364 20.924,1365 0.697,1366 0.575,1367 20.924,1368 17.259,1369 14.652,1370 0.444,1371 0.304,1372 9.89,1373 14.071,1374 9.605,1375 7.995,1376 14.652,1377 10.044,1378 12.744,1379 0.283,1380 0.163,1381 12.744,1382 7.337,1383 10.929,1384 0.182,1385 0.086,1386 10.929,1387 5.135,1388 9.23,1389 0.118,1390 0.046,1391 9.23,1392 3.599,1393 7.47,1394 0.075,1395 0.024,1396 7.47,1397 2.403,1398 0.249,1399 92.028,1400 0.211,1401 29.089,1402 0.387,1403 156,1404 464.587,1405 170.481,1406 438.615,1407 602.29,1408 414,1409 183,1410 440.67,1411 198.62,1412 446.121,1413 652.98,1414 418,1415 5.469}
{0 CHEMBL390247,1 1.459,2 20.9,3 6.499,4 42.236,5 178.063,6 6.647,7 0.238,8 4.513,9 4.65,10 4.027,11 4.072,12 5.443,13 3.975,14 5.091,15 5.307,16 4.311,17 4.448,18 5.929,19 4.306,20 5.357,21 5.623,22 4.239,23 4.52,24 6.154,25 4.347,26 5.416,27 5.692,28 4.254,29 4.563,30 6.185,31 4.377,32 5.482,33 5.765,34 4.259,35 4.629,36 6.259,37 4.415,38 5.456,39 5.724,40 4.131,41 4.604,42 6.217,43 4.382,44 5.418,45 5.711,46 4.013,47 4.494,48 6.152,49 4.271,50 5.287,51 5.573,52 3.966,53 4.378,54 6.034,55 4.169,56 0.101,57 1.257,58 22.691,59 9.24,60 12.188,61 12.54,62 0.284,63 2.044,64 42.646,65 15.084,66 28.401,67 20.772,68 0.55,69 2.403,70 57.317,71 18.525,72 53.811,73 26.125,74 0.51,75 2.462,76 54.993,77 19.678,78 52.655,79 27.954,80 0.607,81 2.594,82 64.893,83 22.935,84 72.822,85 30.645,86 0.474,87 2.531,88 63.247,89 22.556,90 55.587,91 30.025,92 0.523,93 2.345,94 57.18,95 20.338,96 56.029,97 28.018,98 0.401,99 2.065,100 50.573,101 17.929,102 46.37,103 24.575,104 21,105 52,106 0.22,107 0.493,108 0.687,109 0.772,110 0.801,111 0.821,112 3.716,113 1.2,114 -4.95,115 -4.86,116 -4.56,121 36.4,122 2,123 8,127 8,137 2,140 2,144 4,153 2,154 2,158 2,176 8,180 7,185 3,187 8,191 1,192 9,196 1,197 3,200 3,206 5,209 2,211 1,214 4,219 4,222 2,224 2,227 14,232 2,237 2,239 14,243 1,244 3,247 1,249 3,251 12,256 3,261 3,264 8,269 5,274 3,277 3,281 4184,282 27.534,283 27.534,284 27.534,285 27.534,286 27.534,287 25.511,288 35.214,289 17.268,290 28.38,291 20.676,292 20.676,293 20.676,294 20.676,295 20.676,296 17.645,297 46.698,298 8.165,299 21.954,300 5.001,301 3.194,302 1.903,303 1.338,304 1.148,305 1.017,306 4.401,312 1,313 1746,314 5.196,317 314.77,318 173.909,325 4.01,326 29.041,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 84,338 836,339 4.381,340 3.581,341 6.25,342 3.974,343 2.988,344 3.846,345 0.916,346 9.366,347 2.947,348 3.955,349 2.992,350 5.741,351 3.581,352 2.669,353 3.49,354 0.916,355 7.648,356 2.425,357 3.955,358 2.992,359 5.572,360 3.581,361 2.669,362 3.49,363 0.6,364 7.648,365 2.425,366 3.773,367 2.889,368 5.572,369 3.392,370 2.422,371 3.014,372 0.4,373 7.583,374 2.34,375 3.375,376 2.442,377 5.027,378 3.153,379 2.242,380 2.417,381 0.172,382 6.033,383 2.037,384 3.375,385 2.438,386 5.027,387 3.153,388 2.242,389 2.417,390 0.172,391 6.033,392 2.036,393 3.266,394 2.433,395 4.559,396 2.82,397 1.832,398 2.385,400 4.72,401 1.802,402 2.864,403 1.953,404 3.929,405 2.799,406 1.816,407 1.859,409 3.724,410 1.78,411 2.788,412 1.781,413 3.828,414 2.659,415 1.67,416 1.79,418 3.597,419 1.644,420 2.616,421 1.657,422 3.67,423 2.369,424 1.403,425 1.618,427 3.013,428 1.35,429 2.57,430 1.373,431 3.473,432 2.247,433 1.269,434 1.592,436 2.706,437 1.238,438 2.529,439 1.338,440 3.421,441 2.119,442 1.17,443 1.473,445 2.545,446 1.097,447 2.286,448 1.269,449 3.35,450 2.1,451 1.146,452 1.263,454 2.443,455 1.081,456 2.13,457 1.213,458 3.191,459 1.859,460 0.89,461 1.005,463 1.946,464 0.857,465 2.118,466 0.79,467 3,468 1.625,469 0.655,470 0.927,472 1.372,473 0.634,474 19.933,475 0.498,476 0.588,477 0.015,478 38,479 0.95,480 14,481 0.35,482 24,483 0.6,484 49.073,485 1.227,486 46.067,487 0.523,488 26.121,489 0.653,490 6.716,491 0.168,492 12.868,493 0.322,494 0.084,496 0.191,501 0.869,502 1.378,503 0.894,504 1.092,505 0.736,506 1.119,507 1.027,508 1.178,509 1.018,510 1.037,511 0.591,512 1.067,513 0.959,514 1.102,515 1.057,516 1.072,517 0.739,518 1.019,519 0.869,520 1.002,521 0.767,522 0.872,523 0.809,524 0.989,525 0.885,526 0.892,527 1.013,528 0.97,529 0.868,530 0.952,531 1.114,532 1.082,533 1.181,534 1.154,535 1.255,536 1.135,537 1.052,538 0.886,539 0.912,540 0.913,541 1.198,542 0.996,543 1.1,544 0.991,545 0.901,546 0.94,547 1.29,548 0.98,549 6,550 0.164,551 2.667,552 1.944,553 1.394,554 0.778,555 0.547,556 0.325,557 0.202,558 0.201,559 35250,560 77480,561 2.024,562 54.5,563 8,564 22,565 2,567 2,569 14,572 1.791,573 1.935,574 4.292,575 0.099,582 128.352,583 1.459,584 3.266,585 4.556,586 5.121,587 5.311,588 5.442,589 3.722,590 3.884,591 5.29,592 4.574,593 3567.63,594 9.284,595 75494.6,600 568.43,601 1.157,602 5.273,603 0.143,604 0.005,605 0.051,606 0.04,607 0.029,608 0.016,609 0.013,610 0.009,611 0.006,612 0.006,613 0.317,614 0.17,615 0.75,616 0.681,617 239.419,618 -0.007,619 -0.125,620 0.072,621 0.016,622 -0.016,623 0.006,624 -0.075,625 -0.022,626 -0.006,627 -0.004,628 0.054,629 -0.035,630 0.068,631 -0.069,632 -0.058,633 -0.092,634 0.117,635 -0.039,636 0.076,637 -0.03,638 0.04,639 -0.001,640 0.058,641 -0.024,642 0.061,643 0.075,644 -0.009,645 0.028,646 0.103,647 0.035,648 -0.112,649 -0.104,650 -0.169,651 -0.137,652 -0.124,653 -0.134,654 -0.04,655 0.038,656 -0.05,657 -0.017,658 -0.103,659 -0.039,660 -0.046,661 -0.068,662 -0.013,663 -0.022,664 -0.09,665 -0.013,666 1.794,667 5.524,668 0.4,669 77.66,670 0.985,671 1.129,672 3.725,673 13.873,674 0.647,675 3.761,676 3.97,677 4.143,678 4.29,679 4.317,680 4.29,681 4.263,682 4.205,683 4.143,684 4.174,685 12.474,686 0.585,687 584.98,688 3.761,689 5.242,690 6.033,691 6.847,692 7.654,693 8.473,694 9.287,695 10.11,696 10.929,697 11.754,698 4.5,700 1,701 2,707 1,715 6,719 2,720 2,722 10,741 88,743 14,745 42,747 90,748 32,749 8,752 6,756 3,757 3,763 2,770 8,772 14,773 18,777 4,782 1,784 2,785 1,786 4,793 48,794 6,795 2,796 8,797 2,802 4,808 1,809 2,828 2,829 1,839 1,841 1,849 4,853 1,855 2,857 1,859 3,862 2,864 2,868 40,875 1,876 16,877 1,881 2,888 2,893 2.3,895 1,896 1,901 20.667,902 15.717,903 9.389,904 6.043,907 2.136,908 1.284,909 0.933,910 15.978,911 9.655,912 3.951,913 4.363,914 4.785,915 5.177,916 5.256,917 5.362,918 5.432,919 5.398,920 5.336,921 5.388,922 0.929,923 49,924 14.92,926 5.995,927 0.026,929 7.504,931 29.67,933 23.759,936 2.004,937 80.167,941 541.471,942 202.847,943 41.045,945 67.828,947 62.555,948 140.292,949 609.299,950 41.045,951 17.65,952 37.122,953 90.166,954 78.475,955 23.034,956 26.259,957 580.484,959 541.471,960 181.337,961 67.828,962 62.555,964 376.675,965 232.624,968 95.817,969 63.81,970 21.709,971 62.555,972 541.471,973 108.873,974 202.847,977 541.471,978 113.041,979 96.055,980 18.011,981 84.614,982 541.471,983 108.873,984 202.847,986 0.549,987 0.313,988 0.163,989 0.08,990 17,991 8,992 0.233,993 21,995 1,996 5.45,997 327.989,999 16,1000 212.877,1001 2,1005 32.847,1006 19.457,1007 12.817,1009 108.873,1010 12.934,1014 3.651,1015 2.853,1017 60.694,1018 853.191,1019 51,1024 12.524,1026 3.006,1027 4.468,1028 0.855,1031 86.654,1032 99.386,1034 0.226,1035 0.506,1036 0.705,1037 0.793,1038 0.822,1039 0.843,1040 5.145,1041 1.816,1042 5.943,1043 4.72,1044 4.654,1045 5.05,1046 1.619,1047 6.613,1048 4.542,1049 6.261,1050 1.67,1051 7.41,1052 3.724,1053 3.892,1054 4.477,1055 0.57,1056 7.222,1057 3.712,1058 7.501,1059 1.403,1060 8.978,1061 3.597,1062 6.107,1063 6.998,1064 1.171,1065 10.285,1066 5.893,1067 8.777,1068 1.269,1069 10.608,1070 3.013,1071 6.256,1072 7.388,1073 0.674,1074 11.767,1075 5.969,1076 10.092,1077 1.17,1078 12.28,1079 2.706,1080 7.812,1081 9.241,1082 0.92,1083 14.288,1084 7.509,1085 11.431,1086 1.146,1087 13.981,1088 2.545,1089 8.401,1090 10.087,1091 0.66,1092 16.138,1093 8.046,1094 12.791,1095 0.89,1096 15.703,1097 2.443,1098 9.675,1099 11.65,1100 0.757,1101 18.468,1102 9.308,1103 2.988,1104 0.655,1105 17.439,1106 1.946,1107 10.493,1108 12.726,1109 0.611,1110 20.493,1111 10.095,1112 2.669,1113 9.366,1114 19.186,1115 1.372,1116 11.641,1117 14.155,1118 0.64,1119 22.752,1120 11.235,1121 2.669,1122 7.648,1123 20.943,1124 3.846,1125 12.577,1126 15.349,1127 0.55,1128 24.866,1129 12.157,1130 2.422,1131 7.648,1132 22.706,1133 3.49,1134 13.672,1135 16.716,1136 0.548,1137 27.099,1138 13.247,1139 2.242,1140 7.583,1141 24.477,1142 3.49,1143 14.67,1144 17.971,1145 0.487,1146 29.263,1147 14.24,1148 2.242,1149 6.033,1150 26.253,1151 3.014,1152 15.745,1153 19.311,1154 0.471,1155 31.488,1156 15.312,1157 1.832,1158 6.033,1159 28.033,1160 2.417,1161 16.777,1162 20.598,1163 0.427,1164 33.681,1165 16.343,1166 34076,1167 50730,1168 28.197,1169 56.978,1170 59.625,1171 59.366,1172 60.205,1173 58.603,1174 58.624,1175 70.482,1176 6.355,1177 149.588,1178 55.317,1179 5.347,1180 5.581,1181 6.114,1182 5.047,1183 4.988,1184 6.55,1185 1.605,1186 16.052,1187 4.947,1188 18.304,1189 1.42,1190 1.413,1191 1.433,1192 1.395,1193 1.396,1194 1.678,1195 0.151,1196 3.562,1197 1.317,1198 3.961,1199 4.001,1200 4.228,1201 3.936,1202 7.428,1203 3.867,1204 3.887,1205 3.913,1206 4.209,1207 3.906,1208 6.469,1209 3.822,1210 3.882,1211 3.912,1212 3.883,1213 3.801,1214 4.693,1215 3.804,1216 3.747,1217 3.804,1218 3.625,1219 3.622,1220 4.665,1221 3.605,1222 3.729,1223 3.775,1224 3.617,1225 3.618,1226 4.614,1227 3.599,1228 3.596,1229 3.669,1230 3.468,1231 3.418,1232 4.351,1233 3.412,1234 3.562,1235 3.634,1236 3.416,1237 3.395,1238 4.265,1239 3.384,1240 3.4,1241 3.485,1242 3.232,1243 3.217,1244 4.236,1245 3.205,1246 0.104,1247 0.085,1248 0.149,1249 0.095,1250 0.071,1251 4.381,1252 0.092,1253 3.581,1254 0.022,1255 6.25,1256 0.223,1257 3.974,1258 0.07,1259 2.988,1260 3.846,1261 0.916,1262 9.366,1263 2.947,1264 1.858,1265 1.829,1266 2.036,1267 2.014,1268 1.38,1269 2.017,1270 1.791,1271 1.727,1272 2.027,1273 1.972,1274 1.377,1275 1.994,1276 1.768,1277 1.712,1278 1.929,1279 1.947,1280 1.179,1281 1.95,1282 1.659,1283 1.6,1284 1.891,1285 1.85,1286 1.17,1287 1.872,1288 1.634,1289 1.58,1290 1.849,1291 1.804,1292 1.02,1293 1.828,1294 1.479,1295 1.428,1296 1.719,1297 1.636,1298 0.979,1299 1.666,1300 1.471,1301 1.42,1302 1.694,1303 1.601,1304 0.904,1305 1.635,1306 1.409,1307 1.357,1308 1.686,1309 1.6,1310 0.857,1311 1.634,1312 4.443,1314 5.68,1315 3.045,1316 7.081,1317 5.13,1318 8.567,1319 6.952,1320 10.106,1322 4.447,1327 10.42,1328 16.782,1329 3.235,1333 4.992,1340 51.479,1341 128.352,1342 287.399,1343 400.946,1344 450.656,1345 467.41,1346 478.92,1347 103.983,1348 7.519,1349 68.17,1350 124.65,1351 16,1352 12.332,1353 3.907,1354 3.322,1355 88.31,1356 302,1357 248,1358 0.134,1359 329.558,1360 580.76,1361 795.88,1362 25450,1364 28.418,1365 0.71,1366 0.652,1367 29.125,1368 26.079,1369 19.584,1370 0.466,1371 0.4,1372 15.058,1373 18.084,1374 14.502,1375 12.125,1376 20.492,1377 16.794,1378 15.957,1379 0.307,1380 0.239,1381 17.177,1382 12.435,1383 12.771,1384 0.206,1385 0.145,1386 14.004,1387 8.994,1388 9.761,1389 0.136,1390 0.087,1391 10.981,1392 6.296,1393 6.771,1394 0.091,1395 0.052,1396 7.426,1397 3.852,1398 0.229,1399 129.874,1400 0.188,1401 38.226,1402 0.324,1403 188,1404 456.874,1405 244.377,1406 486.73,1407 655.87,1408 458,1409 208,1410 433.495,1411 254.719,1412 469.353,1413 675.74,1414 442,1415 7.219}
{0 CHEMBL390737,1 1.34,2 15.806,3 6.225,4 38.751,5 124.622,6 6.926,7 0.529,8 4.166,9 4.276,10 3.679,11 3.742,12 5.193,13 3.701,14 4.715,15 4.886,16 3.992,17 4.116,18 5.68,19 4.052,20 4.985,21 5.195,22 4.059,23 4.238,24 5.922,25 4.146,26 5.041,27 5.286,28 3.958,29 4.18,30 5.995,31 4.062,32 4.936,33 5.182,34 3.784,35 4.118,36 5.797,37 3.98,38 4.911,39 5.172,40 3.658,41 4.062,42 5.713,43 3.895,44 4.84,45 5.112,46 3.523,47 3.962,48 5.565,49 3.784,50 4.723,51 4.985,52 3.44,53 3.848,54 5.486,55 3.682,56 0.035,57 0.771,58 13.054,59 6.042,60 7.832,61 7.891,62 0.169,63 1.296,64 24.266,65 9.845,66 19.644,67 13.114,68 0.256,69 1.607,70 33.095,71 13.115,72 35.077,73 17.536,74 0.553,75 1.661,76 36.372,77 13.475,78 60.984,79 18.445,80 0.298,81 1.523,82 32.186,83 12.475,84 41.415,85 17.127,86 0.357,87 1.473,88 31.519,89 12.451,90 42.638,91 17.385,92 0.29,93 1.36,94 29.516,95 11.662,96 30.064,97 16.324,98 0.221,99 1.196,100 26.187,101 10.378,102 29.843,103 14.31,104 5,105 45,106 0.216,107 0.496,108 0.681,109 0.829,110 0.882,111 0.882,112 3.471,113 0.972,114 -5.26,115 -5.14,116 -4.81,121 45,123 4,126 1,127 3,144 12,145 3,146 3,159 1,176 15,180 11,187 16,192 10,200 9,205 2,206 11,214 9,219 4,227 12,231 1,232 3,239 13,243 1,244 3,251 11,256 3,264 9,269 5,277 8,281 1740,282 21.397,283 21.397,284 21.397,285 21.397,286 21.397,287 19.141,288 21.798,289 13.19,290 21.724,291 16.849,292 16.849,293 16.849,294 16.849,295 16.849,296 13.458,297 28.386,298 6.365,299 17.374,300 4.567,301 2.838,302 1.69,303 0.773,304 0.446,305 0.446,306 4.174,312 1,313 1074,314 3.808,318 361.159,322 267.856,325 2.354,326 23.111,329 1,330 0.83,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.85,337 65.5,338 490,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 0.916,346 11.061,347 3.18,348 4.048,349 2.995,350 6.011,351 3.613,352 2.642,353 3.676,354 0.86,355 8.529,356 2.563,357 3.927,358 2.943,359 5.484,360 3.597,361 2.625,362 3.455,363 0.86,364 7.392,365 2.559,366 3.617,367 2.82,368 5.407,369 3.232,370 2.271,371 2.964,372 0.172,373 6.913,374 2.172,375 3.31,376 2.495,377 5.124,378 3.117,379 2.165,380 2.504,382 6.04,383 2.053,384 3.294,385 2.367,386 4.819,387 2.954,388 2.015,389 2.364,391 5.518,392 1.87,393 2.907,394 1.842,395 4.125,396 2.741,397 1.757,398 2.082,400 3.606,401 1.724,402 2.866,403 1.656,404 3.827,405 2.438,406 1.449,407 1.972,409 3.384,410 1.43,411 2.751,412 1.538,413 3.713,414 2.419,415 1.425,416 1.813,418 3.082,419 1.414,420 2.712,421 1.41,422 3.589,423 2.245,424 1.261,425 1.763,427 3.037,428 1.237,429 2.5,430 1.365,431 3.497,432 2.19,433 1.224,434 1.5,436 2.591,437 1.176,438 2.438,439 1.298,440 3.366,441 2,442 1,443 1.348,445 2.136,446 1,447 2.265,448 1,449 3.247,450 1.883,451 0.859,452 1.209,454 2.036,455 0.873,456 1.684,457 0.842,458 2.957,459 1.549,460 0.598,461 0.636,463 1.304,464 0.563,465 1.407,466 0.519,467 2.911,468 0.995,469 0.028,470 0.031,472 0.066,473 0.027,474 14.9,475 0.481,476 0.554,477 0.018,478 39.5,479 1.274,480 20.5,481 0.661,482 19,483 0.613,484 25.812,485 0.833,486 33.1,487 0.552,488 27.985,489 0.903,490 7.717,491 0.249,492 7.487,493 0.242,494 0.056,496 0.262,501 0.756,502 1.216,503 0.839,504 1.108,505 0.596,506 1.001,507 1.098,508 1.049,509 0.981,510 1.024,511 0.68,512 0.982,513 1.178,514 1.082,515 0.968,516 1.052,517 0.856,518 0.995,519 1.088,520 0.923,521 0.935,522 0.902,523 1.059,524 0.898,525 1.084,526 0.974,527 1.037,528 0.978,529 1.201,530 0.996,531 0.75,532 0.972,533 0.997,534 1.005,535 0.591,536 1.025,537 0.77,538 0.937,539 0.979,540 0.988,541 0.542,542 1.007,543 0.951,544 1.001,545 1.001,546 1.024,547 0.918,548 1.023,549 4.5,550 0.082,551 2.444,552 1.813,553 1.622,554 0.583,555 0.422,556 0.208,557 0.131,558 0.142,559 16944,560 37998,561 2.123,562 48.3,563 4,564 21,569 4,572 1.725,573 2.044,574 3.897,575 -0.863,582 80.395,583 1.34,584 3.069,585 4.217,586 5.134,587 5.461,588 5.461,589 3.345,590 4.696,591 4.928,592 4.109,593 1910.48,594 8.541,595 30729,600 354.413,601 1.14,602 4.91,603 0.132,604 0.004,605 0.054,606 0.039,607 0.041,608 0.017,609 0.015,610 0.008,611 0.006,612 0.006,613 0.323,614 0.33,615 1,616 0.415,617 168.31,618 0.02,619 -0.108,620 0.066,621 -0.048,622 0.002,623 0.003,624 -0.067,625 0.035,626 -0.019,627 -0.025,628 0.025,629 -0.012,630 -0.031,631 -0.084,632 0.023,633 -0.065,634 0.067,635 -0.022,636 0.149,637 0.053,638 0.085,639 0.057,640 0.175,641 0.065,642 -0.084,643 0.009,644 -0.047,645 -0.005,646 -0.076,647 -0.018,648 0.083,649 -0.01,650 -0.02,651 -0.027,652 0.064,653 -0.033,654 0.041,655 0.013,656 0.001,657 -0.013,658 0.004,659 -0.012,660 -0.03,661 -0.063,662 -0.014,663 -0.044,664 -0.055,665 -0.031,666 1.666,667 5.606,668 0.645,669 38.529,670 0.991,671 1.116,672 4.026,673 16.21,674 0.667,675 3.555,676 3.829,677 4.078,678 4.331,679 4.564,680 4.605,681 4.71,682 4.82,683 4.883,684 4.796,685 9.244,686 0.626,687 415.57,688 3.555,689 5.069,690 5.9,691 6.756,692 7.606,693 8.474,694 9.337,695 10.214,696 11.084,697 11.968,698 1.7,701 1,715 12,720 6,722 18,727 1,739 2,741 60,743 19,744 3,745 34,747 63,748 27,749 18,750 6,751 12,752 1,756 4,757 7,770 4,772 19,773 8,777 1,782 1,786 1,793 29,794 4,796 4,802 1,808 0.5,809 3,829 4,833 2,855 1,859 2,864 1,868 31,876 7,878 2,881 1,893 5,896 1,898 2,901 15.167,902 10.95,903 6.944,904 3.831,907 3.209,908 1.41,909 0.981,910 7.265,911 11.045,912 3.807,913 4.337,914 4.881,915 5.424,916 5.952,917 6.117,918 6.469,919 6.825,920 7.144,921 7.315,922 1,923 46,924 11.507,926 4.809,927 0.026,929 7.57,931 22.484,933 18.374,936 2.07,937 64.167,941 341.362,942 171.474,943 3.124,945 47.145,948 171.474,949 388.507,950 3.124,951 8.396,952 18.942,953 113.715,954 30.278,955 50.411,957 341.362,959 341.362,960 174.598,961 47.145,964 294.278,965 94.229,968 22.066,969 152.532,972 341.362,973 50.269,974 171.474,977 341.362,978 49.362,979 125.236,981 47.145,982 341.362,983 50.269,984 171.474,986 0.564,987 0.323,988 0.178,989 0.098,990 20,991 8,992 0.159,993 10,994 2,995 1.2,996 4.547,997 257.686,998 0.2,999 20,1000 149.58,1005 21.453,1006 10.499,1007 5.678,1009 50.269,1010 23.402,1015 4.479,1018 563.105,1019 44,1024 12.606,1028 0.001,1031 59.454,1032 66.939,1034 0.227,1035 0.52,1036 0.714,1037 0.869,1038 0.925,1039 0.925,1040 5.014,1041 1.449,1042 5.844,1043 3.606,1044 4.511,1045 5.024,1046 1.698,1047 6.603,1048 4.455,1049 6.175,1050 1.425,1051 7.361,1052 3.384,1053 3.892,1054 4.605,1055 0.325,1056 7.398,1057 3.806,1058 7.447,1059 1.261,1060 8.984,1061 3.082,1062 6.038,1063 7.126,1064 1.422,1065 10.539,1066 5.933,1067 8.757,1068 1.224,1069 10.676,1070 3.037,1071 6.293,1072 7.574,1073 0.393,1074 12.239,1075 6.177,1076 10.103,1077 1,1078 12.413,1079 2.591,1080 7.856,1081 9.533,1082 1.2,1083 14.891,1084 7.722,1085 11.478,1086 0.859,1087 14.184,1088 2.136,1089 8.558,1090 10.416,1091 0.384,1092 16.977,1093 8.423,1094 12.875,1095 0.598,1096 15.98,1097 2.036,1098 9.868,1099 12.112,1100 1.01,1101 19.467,1102 9.719,1103 3.215,1104 0.028,1105 17.796,1106 1.304,1107 10.801,1108 13.23,1109 0.351,1110 21.726,1111 10.653,1112 2.642,1113 11.061,1114 19.626,1115 0.066,1116 12.006,1117 14.792,1118 0.845,1119 24.158,1120 11.847,1121 2.625,1122 8.529,1123 21.469,1124 4.198,1125 13.055,1126 16.041,1127 0.312,1128 26.494,1129 12.895,1130 2.271,1131 7.392,1132 23.323,1133 3.676,1134 14.221,1135 17.533,1136 0.702,1137 28.907,1138 14.053,1139 2.165,1140 6.913,1141 25.185,1142 3.455,1143 15.327,1144 18.857,1145 0.273,1146 31.278,1147 15.154,1148 2.015,1149 6.04,1150 27.055,1151 2.964,1152 16.483,1153 20.313,1154 0.579,1155 33.684,1156 16.303,1157 1.757,1158 5.518,1159 28.931,1160 2.504,1161 17.616,1162 21.681,1163 0.236,1164 36.071,1165 17.43,1166 15812,1167 23953,1168 23.345,1169 40.029,1170 49.735,1171 50.807,1172 50.294,1173 49.145,1174 49.067,1175 63.027,1176 5.618,1177 133.39,1178 47.683,1179 5.511,1180 5.692,1181 6.637,1182 5.3,1183 5.215,1184 7.198,1185 1.776,1186 18.6,1187 5.18,1188 10.666,1189 1.463,1190 1.494,1191 1.479,1192 1.445,1193 1.443,1194 1.854,1195 0.165,1196 3.923,1197 1.402,1198 4.048,1199 4.056,1200 4.013,1201 3.965,1202 7.427,1203 3.974,1204 3.926,1205 3.965,1206 3.847,1207 3.855,1208 4.946,1209 3.849,1210 3.79,1211 3.828,1212 3.717,1213 3.713,1214 4.755,1215 3.71,1216 3.732,1217 3.779,1218 3.591,1219 3.615,1220 4.708,1221 3.599,1222 3.544,1223 3.618,1224 3.394,1225 3.353,1226 4.378,1227 3.352,1228 3.308,1229 3.371,1230 3.196,1231 3.118,1232 4.261,1233 3.126,1234 3.178,1235 3.203,1236 3.042,1237 3.028,1238 4.103,1239 3.026,1240 2.987,1241 3.055,1242 2.902,1243 2.813,1244 3.947,1245 2.824,1246 0.134,1247 0.109,1248 0.199,1249 0.124,1250 0.095,1251 4.553,1252 0.123,1253 3.692,1254 0.027,1255 6.774,1256 0.325,1257 4.203,1258 0.094,1259 3.215,1260 4.198,1261 0.916,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.063,1267 2.084,1268 1.372,1269 2.074,1270 1.917,1271 1.884,1272 2.054,1273 2.022,1274 1.188,1275 2.037,1276 1.785,1277 1.756,1278 1.999,1279 1.928,1280 1.162,1281 1.954,1282 1.743,1283 1.688,1284 1.885,1285 1.853,1286 1.049,1287 1.866,1288 1.527,1289 1.453,1290 1.79,1291 1.743,1292 0.971,1293 1.764,1294 1.289,1295 1.219,1296 1.608,1297 1.525,1298 0.791,1299 1.555,1300 1.128,1301 1.105,1302 1.366,1303 1.318,1304 0.556,1305 1.308,1306 1.003,1307 0.921,1308 1.323,1309 1.222,1310 0.498,1311 1.275,1312 4.234,1314 5.517,1316 7.004,1318 8.594,1320 10.246,1322 2.178,1328 7.321,1330 11.808,1333 2.373,1340 37.541,1341 80.395,1342 184.133,1343 253.029,1344 308.049,1345 327.659,1346 327.659,1347 53.036,1348 7.836,1349 42.68,1350 42.68,1351 24,1352 12.505,1353 4.322,1354 3.459,1355 50.188,1356 176,1357 160,1358 0.134,1359 229.699,1360 404.49,1361 552.226,1362 34061,1364 21.468,1365 0.693,1366 0.582,1367 21.468,1368 18.05,1369 15.204,1370 0.447,1371 0.324,1372 10.903,1373 14.775,1374 10.631,1375 8.863,1376 15.204,1377 11.014,1378 13.096,1379 0.291,1380 0.179,1381 13.096,1382 8.071,1383 10.844,1384 0.187,1385 0.096,1386 10.844,1387 5.548,1388 9.103,1389 0.121,1390 0.052,1391 9.103,1392 3.873,1393 7.332,1394 0.077,1395 0.028,1396 7.332,1397 2.629,1398 0.225,1399 94.22,1400 0.207,1401 30.472,1402 0.331,1403 158,1404 420.852,1405 169.603,1406 404.977,1407 558.66,1408 382,1409 182,1410 411.124,1411 194.63,1412 417.309,1413 609.89,1414 393,1415 5.539}
{0 CHEMBL391356,1 1.753,2 11.769,3 5.115,4 26.158,5 99.132,6 9.731,7 0.643,8 3.81,9 3.886,10 3.599,11 3.408,12 5.054,13 3.409,14 4.269,15 4.381,16 3.98,17 3.742,18 5.557,19 3.732,20 4.481,21 4.603,22 4.135,23 3.813,24 5.776,25 3.802,26 4.457,27 4.596,28 4.042,29 3.746,30 5.758,31 3.709,32 4.394,33 4.552,34 3.862,35 3.73,36 5.68,37 3.676,38 4.373,39 4.53,40 3.768,41 3.724,42 5.594,43 3.636,44 4.293,45 4.496,46 3.499,47 3.566,48 5.4,49 3.446,50 4.071,51 4.284,52 3.401,53 3.278,54 5.164,55 3.211,56 0.108,57 0.509,58 4.151,59 3.217,60 5.572,61 3.405,62 0.39,63 0.796,64 9.521,65 5.156,66 19.851,67 5.502,68 0.597,69 0.89,70 18.747,71 7.071,72 37.122,73 6.997,74 0.633,75 0.865,76 20.169,77 7.12,78 47.446,79 6.624,80 0.528,81 0.832,82 17.945,83 6.894,84 44.142,85 7.349,86 0.442,87 0.804,88 19.07,89 6.978,90 42.278,91 7.469,92 0.479,93 0.763,94 20.317,95 6.819,96 40.406,97 8.358,98 0.364,99 0.628,100 14.157,101 5.318,102 25.934,103 6.563,104 17,105 38,106 0.307,107 0.565,108 0.679,109 0.76,110 0.79,111 0.807,112 3.303,113 0.897,114 -4.17,115 -4.11,116 -3.89,121 47.5,126 1,144 9,146 6,147 2,161 1,176 6,179 3,180 6,187 6,192 10,200 4,205 1,206 9,214 1,218 1,219 8,227 4,232 4,239 8,243 2,244 2,251 8,256 2,264 6,268 1,269 2,277 2,281 972,282 17.413,283 17.413,284 17.413,285 17.413,286 17.413,287 14.977,288 17.743,289 10.35,290 18.028,291 13.779,292 13.779,293 13.779,294 13.779,295 13.779,296 10.254,297 21.095,298 4.909,299 14.916,300 3.569,301 2.102,302 1.451,303 0.988,304 0.819,305 0.719,306 3.984,308 2,311 1,312 1,313 650,314 3.317,318 290.625,325 1.959,326 27.842,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 56.667,338 306,339 4.349,340 3.801,341 6.412,342 3.897,343 2.995,344 4.005,345 2.208,346 9.753,347 2.758,348 4.194,349 3.457,350 6.339,351 3.873,352 2.946,353 3.66,354 0.86,355 9.428,356 2.626,357 3.996,358 2.863,359 5.513,360 3.554,361 2.601,362 3.569,363 0.655,364 7.421,365 2.451,366 3.613,367 2.708,368 5.217,369 3.183,370 2.24,371 2.939,372 0.13,373 6.531,374 2.104,375 3.348,376 2.623,377 4.894,378 2.921,379 1.958,380 2.613,382 5.376,383 1.861,384 3.232,385 2.476,386 4.841,387 2.7,388 1.879,389 2.481,391 5.104,392 1.429,393 2.889,394 1.73,395 3.977,396 2.414,397 1.444,398 2.042,400 3.39,401 1.397,402 2.855,403 1.608,404 3.771,405 2.326,406 1.389,407 1.99,409 3.131,410 1.289,411 2.5,412 1.23,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.5,421 1.043,422 3.29,423 2,424 1,425 1.5,427 2.136,428 1,429 1.95,430 1,431 3.247,432 1.623,433 0.687,434 0.814,436 1.664,437 0.632,438 1.712,439 1,440 3.048,441 1.3,442 0.485,443 0.565,445 1.153,446 0.356,447 1.276,448 0.805,449 2.54,450 0.831,451 -0.062,452 -0.077,454 -0.146,455 -0.051,456 1,457 0.173,458 2.352,459 0.425,460 -0.347,461 -0.445,463 -0.757,464 -0.222,465 0.721,466 0.141,467 2.203,468 0.275,469 -0.634,470 -0.785,472 -1.607,473 -0.511,474 12.729,475 0.49,476 0.63,477 0.024,478 38,479 1.462,480 21,481 0.808,482 17,483 0.654,484 17.605,485 0.677,486 26.871,487 0.672,488 27.487,489 1.057,490 7.79,491 0.3,492 4.752,493 0.183,494 0.178,496 0.306,501 0.739,502 1.298,503 0.509,504 0.923,505 0.611,506 0.824,507 0.767,508 1.026,509 0.625,510 0.812,511 0.588,512 0.809,513 1.1,514 1.115,515 0.908,516 1.141,517 0.828,518 1.003,519 1.479,520 0.959,521 0.785,522 0.821,523 1.464,524 0.915,525 1.114,526 0.904,527 0.905,528 0.86,529 1.515,530 0.904,531 1.166,532 1.037,533 1.204,534 1.102,535 1.465,536 1.154,537 0.688,538 0.918,539 1.046,540 1.056,541 0.765,542 1.121,543 0.489,544 1.006,545 0.498,546 1.024,547 0.432,548 0.966,549 5,550 0.128,551 3.111,552 1.75,553 1.587,554 0.701,555 0.463,556 0.288,557 0.143,558 0.168,559 8610,560 30666,561 2.037,562 35,564 12,566 2,572 1.685,573 1.902,574 3.493,575 -0.722,582 70.109,583 1.753,584 3.22,585 3.871,586 4.334,587 4.503,588 4.603,589 2.911,590 3.979,591 4.674,592 3.694,593 1200.68,594 8.065,595 15662.7,600 212.877,601 1.42,602 4.628,603 0.179,604 0.007,605 0.082,606 0.045,607 0.048,608 0.022,609 0.017,610 0.013,611 0.008,612 0.01,613 0.429,614 0.5,615 1,616 0.596,617 129.692,618 -0.049,619 -0.244,620 0.015,621 -0.11,622 -0.086,623 -0.042,624 0.123,625 0.052,626 0.047,627 0.043,628 0.094,629 0.018,630 0.045,631 -0.138,632 0.02,633 -0.199,634 0.054,635 -0.105,636 -0.2,637 -0.003,638 0.087,639 0.14,640 -0.129,641 0.008,642 -0.083,643 0.059,644 -0.021,645 0.109,646 -0.095,647 0.068,648 -0.213,649 -0.096,650 -0.202,651 -0.112,652 -0.244,653 -0.166,654 0.109,655 0.025,656 -0.074,657 -0.041,658 0.006,659 -0.037,660 0.3,661 -0.051,662 0.271,663 -0.043,664 0.203,665 0.121,666 2.162,667 5.209,668 0.692,669 25.231,670 1.025,671 1.11,672 2.937,673 8.623,674 0.736,675 3.367,676 3.664,677 3.892,678 4.06,679 4.234,680 4.127,681 4.174,682 4.29,683 4.317,684 4.344,685 7.013,686 0.713,687 389.25,688 3.367,689 4.89,690 5.72,691 6.572,692 7.415,693 8.268,694 9.115,695 9.969,696 10.817,697 11.671,698 5,705 1,708 1,715 11,716 1,720 6,722 18,737 1,739 1,740 2,741 40,743 19,744 2,745 28,747 42,748 19,749 17,750 3,751 9,756 3,757 3,758 2,772 18,773 1,777 1,782 1,786 1,793 14,794 5,796 7,797 2,802 2,808 1,809 3,822 1,829 3,859 3,864 1,865 2,868 26,878 2,881 1,892 2,893 7.5,896 1,898 2,901 13.667,902 7.602,903 5.778,904 2.171,907 3.091,908 1.442,909 0.969,910 5.986,911 10.081,912 3.664,913 4.241,914 4.751,915 5.244,916 5.74,917 5.699,918 5.964,919 6.33,920 6.584,921 6.869,922 0.875,923 39,924 9.525,926 3.965,927 0.026,929 7.919,931 17.625,933 13.707,936 2.419,937 62.889,940 1,941 164.795,942 144.028,943 19.91,944 78.297,945 47.145,948 144.028,949 290.237,950 19.91,951 8.396,952 3.124,953 85.286,954 65.473,955 65.583,956 6.763,957 141.253,958 78.297,959 164.795,960 163.938,961 47.145,962 78.297,964 164.795,965 47.145,968 21.219,969 125.933,970 95.083,972 164.795,973 67.055,974 222.325,977 164.795,978 32.251,979 114.902,981 142.228,982 164.795,983 67.055,984 222.325,986 0.58,987 0.339,988 0.172,989 0.09,990 17,991 8,992 0.119,993 5,995 1,996 3.853,997 205.807,999 18,1000 108.211,1005 18.516,1006 8.405,1007 4.68,1009 67.055,1010 18.641,1011 3.868,1015 2.541,1018 454.175,1019 38,1024 12.209,1028 -0.495,1031 41.018,1032 44.419,1034 0.329,1035 0.605,1036 0.727,1037 0.814,1038 0.846,1039 0.865,1040 4.871,1041 1.389,1042 5.694,1043 3.39,1044 4.344,1045 4.927,1046 2.456,1047 6.46,1048 4.183,1049 6.07,1050 1,1051 7.233,1052 3.131,1053 3.892,1054 4.605,1055 1.847,1056 7.281,1057 3.56,1058 7.36,1059 1,1060 8.874,1061 2.275,1062 5.9,1063 7.061,1064 3.559,1065 10.353,1066 5.581,1067 8.682,1068 0.687,1069 10.572,1070 2.136,1071 6.256,1072 7.504,1073 3.656,1074 11.988,1075 5.75,1076 10.033,1077 0.485,1078 12.308,1079 1.664,1080 7.731,1081 9.445,1082 4.961,1083 14.569,1084 7.24,1085 11.403,1086 -0.062,1087 14.07,1088 1.153,1089 8.462,1090 10.265,1091 5.37,1092 16.545,1093 7.791,1094 12.789,1095 -0.347,1096 15.851,1097 -0.146,1098 9.715,1099 11.961,1100 6.459,1101 18.942,1102 9.035,1103 2.995,1104 -0.634,1105 17.645,1106 -0.757,1107 10.628,1108 12.995,1109 7.028,1110 21.072,1111 9.786,1112 2.946,1113 9.753,1114 19.451,1115 -1.607,1116 11.783,1117 14.553,1118 7.994,1119 23.393,1120 10.907,1121 2.601,1122 9.428,1123 21.265,1124 4.005,1125 12.784,1126 15.716,1127 8.654,1128 25.594,1129 11.765,1130 2.24,1131 7.421,1132 23.085,1133 3.66,1134 13.896,1135 17.194,1136 9.549,1137 27.883,1138 12.823,1139 1.958,1140 6.531,1141 24.912,1142 3.569,1143 14.94,1144 18.435,1145 10.263,1146 30.117,1147 13.741,1148 1.879,1149 5.376,1150 26.743,1151 2.939,1152 16.035,1153 19.867,1154 11.116,1155 32.392,1156 14.766,1157 1.444,1158 5.104,1159 28.577,1160 2.613,1161 17.1,1162 21.157,1163 11.862,1164 34.642,1165 15.718,1166 8336,1167 15951,1168 18.493,1169 29.421,1170 41.707,1171 43.252,1172 42.782,1173 41.554,1174 41.251,1175 55.357,1176 7.706,1177 114.725,1178 37.806,1179 5.221,1180 5.801,1181 6.214,1182 4.998,1183 4.995,1184 7.005,1185 3.912,1186 16.477,1187 4.758,1188 13.021,1189 1.49,1190 1.545,1191 1.528,1192 1.484,1193 1.473,1194 1.977,1195 0.275,1196 4.097,1197 1.35,1198 3.966,1199 3.985,1200 4.093,1201 3.864,1202 7.433,1203 3.871,1204 3.894,1205 3.921,1206 3.876,1207 3.814,1208 5.129,1209 3.814,1210 3.803,1211 3.826,1212 3.797,1213 3.723,1214 4.844,1215 3.723,1216 3.464,1217 3.509,1218 3.582,1219 3.2,1220 4.754,1221 3.24,1222 3.052,1223 3.077,1224 3.399,1225 2.849,1226 4.632,1227 2.832,1228 2.901,1229 2.925,1230 2.997,1231 2.799,1232 4.407,1233 2.815,1234 2.854,1235 2.925,1236 2.944,1237 2.735,1238 4.296,1239 2.715,1240 2.854,1241 2.918,1242 2.703,1243 2.735,1244 4.042,1245 2.715,1246 0.155,1247 0.136,1248 0.229,1249 0.139,1250 0.107,1251 4.349,1252 0.143,1253 3.801,1254 0.079,1255 6.412,1256 0.348,1257 3.897,1258 0.099,1259 2.995,1260 4.005,1261 2.208,1262 9.753,1263 2.758,1264 1.899,1265 1.876,1266 2.017,1267 2.019,1268 1.083,1269 2.015,1270 1.873,1271 1.852,1272 1.969,1273 1.977,1274 1.043,1275 1.977,1276 1.756,1277 1.736,1278 1.788,1279 1.867,1280 0.88,1281 1.863,1282 1.362,1283 1.304,1284 1.635,1285 1.638,1286 0.682,1287 1.632,1288 0.929,1289 0.908,1290 1.181,1291 1.253,1292 0.218,1293 1.207,1294 0.886,1295 0.827,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 0.886,1301 0.821,1302 1.116,1303 1.062,1304 0.169,1305 1.107,1306 0.849,1307 0.821,1308 1.021,1309 1.025,1310 0.105,1311 1.013,1312 4.043,1314 5.342,1316 6.838,1318 8.416,1320 10.033,1322 1.641,1323 12.052,1330 11.014,1333 1.418,1340 28.53,1341 70.109,1342 128.784,1343 154.838,1344 173.367,1345 180.122,1346 184.122,1347 44.564,1348 6.989,1349 51.66,1350 51.66,1351 18,1352 12.227,1353 4.322,1354 3.459,1355 44.664,1356 112,1357 94,1358 0.196,1359 183.814,1360 319.87,1361 440.266,1362 10260,1363 5,1364 18.518,1365 0.712,1366 0.586,1367 19.518,1368 15.238,1369 12.542,1370 0.448,1371 0.299,1372 7.562,1373 11.495,1374 7.316,1375 6.085,1376 13.119,1377 8.375,1378 11.142,1379 0.293,1380 0.16,1381 11.884,1382 6.083,1383 9.349,1384 0.195,1385 0.084,1386 10.065,1387 4.014,1388 7.168,1389 0.126,1390 0.045,1391 7.885,1392 2.559,1393 5.606,1394 0.082,1395 0.023,1396 6.013,1397 1.533,1398 0.316,1399 84.933,1400 0.233,1401 25.6,1402 0.516,1403 132,1404 466.904,1405 177.802,1406 504.06,1407 662.88,1408 468,1409 152,1410 442.189,1411 192.328,1412 462.752,1413 673.93,1414 433,1415 4.301}
{0 CHEMBL391918,1 1.311,2 10.636,3 2.862,4 8.189,5 131.838,6 5.932,8 4.405,9 4.54,10 3.782,11 3.922,12 5.26,13 3.854,14 5.082,15 5.287,16 4.275,17 4.457,18 5.821,19 4.37,20 5.497,21 5.693,22 4.552,23 4.841,24 6.279,25 4.725,26 5.86,27 6.113,28 4.579,29 5.019,30 6.601,31 4.844,32 5.976,33 6.273,34 4.498,35 4.977,36 6.727,37 4.782,38 5.847,39 6.145,40 4.254,41 4.818,42 6.632,43 4.602,44 5.646,45 5.966,46 4.126,47 4.619,48 6.343,49 4.413,50 5.418,51 5.687,52 4.011,53 4.471,54 6.247,55 4.282,56 0.088,57 1.079,58 19.833,59 8.331,60 12.652,61 11.746,62 0.315,63 1.93,64 38.159,65 14.914,66 25.481,67 21.48,68 0.408,69 2.871,70 57.724,71 22.936,72 46.173,73 32.751,74 0.624,75 3.672,76 80.033,77 30.643,78 72.92,79 44.551,80 0.872,81 3.688,82 88.32,83 31.178,84 108.965,85 45.98,86 0.981,87 3.185,88 77.626,89 27.077,90 129.422,91 40.024,92 0.581,93 2.596,94 62.248,95 22.29,96 77.073,97 33.079,98 0.637,99 2.204,100 51.458,101 18.113,102 83.375,103 26.743,104 84,105 61,106 0.205,107 0.463,108 0.763,109 0.839,110 0.868,111 0.868,112 3.533,113 1.067,114 -5.12,115 -5.01,116 -4.69,121 36.4,122 5,123 6,124 4,125 3,126 2,127 1,129 3,137 1,138 1,158 1,160 1,176 18,179 1,180 9,185 2,187 31,192 9,197 2,200 35,206 14,209 1,211 5,214 29,219 12,224 2,227 24,231 1,232 9,235 1,237 2,239 18,244 5,249 2,251 15,255 2,256 10,261 2,264 8,269 6,274 2,277 3,281 1569,282 21.144,283 21.144,284 21.144,285 21.144,286 21.144,287 20.469,288 27.37,289 11.358,290 21.459,291 18.118,292 18.118,293 18.118,294 18.118,295 18.118,296 17.059,297 38.712,298 5.24,299 18.595,300 4.956,301 3.308,302 1.39,303 0.903,304 0.718,305 0.718,306 4.227,312 1,313 765,314 4.416,317 45.409,318 158.526,319 49.179,321 74.82,322 94.509,323 166.801,325 1.526,326 37.42,329 1,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.98,337 70,338 351,339 4.997,340 4.086,341 8.709,342 4.991,343 3.992,344 4.009,345 2.178,346 17.648,347 3.987,348 4.653,349 3.763,350 7.869,351 4.604,352 3.613,353 3.742,354 1.835,355 14.625,356 3.582,357 4.057,358 3.619,359 7.037,360 3.997,361 3.007,362 3.172,363 0.8,364 11.42,365 2.982,366 3.829,367 3.137,368 6.35,369 3.678,370 2.69,371 2.99,372 0.68,373 9.199,374 2.665,375 3.721,376 3.043,377 6.047,378 3.424,379 2.437,380 2.826,381 0.413,382 8.095,383 2.412,384 3.545,385 2.754,386 5.958,387 3.365,388 2.397,389 2.695,391 7.988,392 2.315,393 3.432,394 2.562,395 5.369,396 3.136,397 2.187,398 2.443,400 6.314,401 2.056,402 3.09,403 2.378,404 5.227,405 3.022,406 2.078,407 2.09,409 6.077,410 1.949,411 2.906,412 2.181,413 4.894,414 2.816,415 1.858,416 1.903,418 5.2,419 1.768,420 2.605,421 1.865,422 4.861,423 2.517,424 1.525,425 1.582,427 4.497,428 1.507,429 2.404,430 1.651,431 4.339,432 2.292,433 1.291,434 1.369,436 3.622,437 1.285,438 2.007,439 1.36,440 3.956,441 1.904,442 0.939,443 0.962,445 2.307,446 0.901,447 1.95,448 1.225,449 3.839,450 1.775,451 0.83,452 0.893,454 2.113,455 0.777,456 1.378,457 0.72,458 3.449,459 1.204,460 0.255,461 0.268,463 0.664,464 0.24,465 1.115,466 0.618,467 3.298,468 1.075,469 0.087,470 0.089,472 0.245,473 0.086,474 15.8,475 0.479,476 1.424,477 0.043,478 24.75,479 0.75,480 4,481 0.121,482 20.75,483 0.629,484 58.012,485 1.758,486 39.4,487 0.512,488 15.993,489 0.485,490 3.284,491 0.1,492 12.136,493 0.368,494 0.264,495 0.095,496 0.342,501 0.797,502 1.424,503 1.02,504 1.299,505 0.784,506 1.2,507 0.859,508 0.994,509 0.893,510 0.946,511 0.63,512 0.919,513 1.023,514 1.24,515 1.17,516 1.237,517 1.008,518 1.22,519 0.829,520 1.233,521 1.12,522 1.256,523 0.82,524 1.225,525 1.123,526 0.935,527 0.971,528 0.951,529 1.256,530 0.947,531 1.165,532 0.946,533 1.06,534 0.974,535 1.394,536 1.006,537 0.879,538 0.814,539 0.806,540 0.818,541 1.065,542 0.808,543 1.099,544 1.17,545 1.142,546 1.161,547 1.433,548 1.161,549 10.5,550 0.239,551 8,552 5.611,553 4.018,554 2.123,555 1.309,556 0.889,557 0.534,558 0.44,559 12692,560 22857,561 2.018,562 57.1,563 17,564 12,567 1,568 6,569 7,570 1,572 1.758,573 1.792,574 3.324,575 -0.442,582 100.967,583 1.311,584 2.958,585 4.876,586 5.364,587 5.549,588 5.549,589 2.838,590 4.658,591 5.015,592 3.46,593 1826.69,594 8.819,595 24524.6,600 482.543,601 1.876,602 4.908,603 0.284,604 0.01,605 0.131,606 0.073,607 0.056,608 0.033,609 0.027,610 0.019,611 0.014,612 0.015,613 0.662,614 0.33,615 0.88,616 0.97,617 168.544,618 0.001,619 -0.068,620 0.071,621 0.011,622 -0.07,623 0.041,624 0.025,625 0.223,626 0.161,627 0.211,628 0.025,629 0.204,630 -0.099,631 -0.032,632 -0.116,633 -0.062,634 -0.088,635 -0.086,636 -0.007,637 -0.169,638 -0.129,639 -0.187,640 0.005,641 -0.173,642 -0.049,643 0.002,644 0.01,645 0.006,646 -0.032,647 0.014,648 -0.027,649 -0.02,650 -0.076,651 -0.029,652 -0.027,653 -0.055,654 0.012,655 0.083,656 0.138,657 0.115,658 0.007,659 0.137,660 0.032,661 -0.171,662 -0.133,663 -0.162,664 -0.022,665 -0.167,666 1.681,667 6.827,668 0.667,669 28.413,670 0.984,671 1.134,672 3.887,673 15.105,674 0.615,675 3.638,676 4.127,677 4.522,678 4.875,679 5.182,680 5.366,681 5.591,682 5.817,683 6.014,684 6.215,685 6.029,686 0.562,687 456.74,688 3.638,689 5.283,690 6.217,691 7.189,692 8.146,693 9.121,694 10.088,695 11.065,696 12.037,697 13.015,698 2.6,701 1,707 1,741 77,743 3,745 37,747 81,748 28,756 5,757 15,763 5,764 3,766 3,767 8,768 4,770 9,772 4,773 24,774 4,777 3,782 1,784 1,785 1,786 3,793 44,794 5,795 1,796 5,802 2,808 0.2,809 3,811 1,828 1,829 3,830 1,832 1,833 1,834 2,841 1,849 1,850 1,855 1,857 1,858 1,859 1,864 7,868 33,875 1,876 7,878 1,880 7,881 1,882 3,893 3.9,894 1,896 1,898 1,901 18.417,902 15.6,903 6.771,904 5.004,907 0.772,908 1.086,909 0.881,910 5.557,911 9.702,912 3.714,913 4.248,914 4.663,915 5.075,916 5.455,917 5.68,918 5.953,919 6.225,920 6.485,921 6.709,922 1,923 77,924 12.5,926 5.701,927 0.026,929 7.503,931 25.047,933 23.387,936 2.003,937 66.083,941 506.157,942 103.328,943 19.91,945 78.828,948 103.328,949 584.986,950 19.91,951 60.919,952 19.8,953 52.16,954 35.093,955 34.095,957 506.157,959 506.157,960 123.238,961 78.828,964 411.989,965 130.314,966 42.683,968 83.835,969 29.926,970 9.476,972 506.157,973 98.738,974 103.328,977 506.157,978 32.933,979 73.519,981 95.614,982 506.157,983 98.738,984 103.328,986 0.626,987 0.394,988 0.213,989 0.122,990 35,991 17,992 0.025,993 2,994 4,995 1.364,996 3.874,997 359.372,998 0.364,999 22,1000 160.465,1005 23.704,1006 7.737,1007 3.212,1009 98.738,1017 42.683,1018 708.224,1019 40,1024 13.827,1026 2.422,1027 4.882,1028 2.737,1031 75.741,1032 87.344,1034 0.209,1035 0.472,1036 0.778,1037 0.856,1038 0.885,1039 0.885,1040 5.13,1041 2.078,1042 6.337,1043 6.314,1044 4.812,1045 4.934,1046 2.802,1047 7.393,1048 4.774,1049 6.375,1050 1.858,1051 8.073,1052 6.077,1053 4.934,1054 5.056,1055 2.416,1056 9.052,1057 4.902,1058 7.763,1059 1.525,1060 9.933,1061 5.2,1062 6.727,1063 6.938,1064 3.802,1065 12.258,1066 6.679,1067 9.182,1068 1.291,1069 11.871,1070 4.497,1071 7.621,1072 7.788,1073 4.075,1074 14.727,1075 7.585,1076 10.638,1077 0.939,1078 13.861,1079 3.622,1080 9.052,1081 9.284,1082 5.099,1083 17.634,1084 9.008,1085 12.121,1086 0.83,1087 15.888,1088 2.307,1089 10.239,1090 10.424,1091 5.633,1092 20.36,1093 10.202,1094 13.624,1095 0.255,1096 17.943,1097 2.113,1098 11.591,1099 11.812,1100 6.51,1101 23.211,1102 11.552,1103 3.992,1104 0.087,1105 20.019,1106 0.664,1107 12.885,1108 13.074,1109 7.163,1110 26.019,1111 12.848,1112 3.613,1113 17.648,1114 22.11,1115 0.245,1116 14.229,1117 14.434,1118 7.977,1119 28.865,1120 14.191,1121 3.007,1122 14.625,1123 24.214,1124 4.009,1125 15.563,1126 15.751,1127 8.688,1128 31.703,1129 15.525,1130 2.69,1131 11.42,1132 26.328,1133 3.742,1134 16.913,1135 17.108,1136 9.475,1137 34.554,1138 16.875,1139 2.437,1140 9.199,1141 28.449,1142 3.172,1143 18.264,1144 18.451,1145 10.215,1146 37.404,1147 18.226,1148 2.397,1149 8.095,1150 30.577,1151 2.99,1152 19.622,1153 19.811,1154 10.993,1155 40.261,1156 19.583,1157 2.187,1158 7.988,1159 32.71,1160 2.826,1161 20.981,1162 21.168,1163 11.748,1164 43.119,1165 20.942,1166 12162,1167 16354,1168 23.175,1169 47.364,1170 58.944,1171 60.671,1172 63.483,1173 58.327,1174 58.373,1175 62.064,1176 11.813,1177 200.028,1178 57.026,1179 5.997,1180 6.072,1181 7.982,1182 6.1,1183 5.992,1184 6.52,1185 3.677,1186 27.457,1187 5.987,1188 21.969,1189 1.593,1190 1.64,1191 1.716,1192 1.576,1193 1.578,1194 1.677,1195 0.319,1196 5.406,1197 1.541,1198 4.131,1199 4.164,1200 4.05,1201 4.052,1202 7.426,1203 4.047,1204 3.968,1205 4.004,1206 3.89,1207 3.877,1208 6.449,1209 3.874,1210 3.728,1211 3.785,1212 3.621,1213 3.576,1214 4.872,1215 3.578,1216 3.578,1217 3.645,1218 3.453,1219 3.394,1220 4.471,1221 3.397,1222 3.466,1223 3.513,1224 3.352,1225 3.311,1226 4.366,1227 3.306,1228 3.409,1229 3.47,1230 3.253,1231 3.248,1232 4.244,1233 3.246,1234 3.318,1235 3.392,1236 3.147,1237 3.165,1238 4.001,1239 3.151,1240 3.214,1241 3.312,1242 2.992,1243 3.022,1244 3.9,1245 2.998,1246 0.135,1247 0.11,1248 0.235,1249 0.135,1250 0.108,1251 4.997,1252 0.108,1253 4.086,1254 0.059,1255 8.709,1256 0.477,1257 4.991,1258 0.108,1259 3.992,1260 4.009,1261 2.178,1262 17.648,1263 3.987,1264 1.981,1265 1.95,1266 2.121,1267 2.097,1268 1.573,1269 2.105,1270 1.962,1271 1.929,1272 2.115,1273 2.072,1274 1.52,1275 2.087,1276 1.757,1277 1.705,1278 1.964,1279 1.939,1280 1.337,1281 1.951,1282 1.552,1283 1.506,1284 1.772,1285 1.748,1286 1.085,1287 1.756,1288 1.488,1289 1.422,1290 1.757,1291 1.696,1292 1.046,1293 1.714,1294 1.459,1295 1.388,1296 1.731,1297 1.657,1298 0.933,1299 1.69,1300 1.312,1301 1.239,1302 1.641,1303 1.529,1304 0.832,1305 1.569,1306 1.295,1307 1.228,1308 1.603,1309 1.502,1310 0.726,1311 1.536,1312 4.317,1314 5.765,1315 2.398,1316 7.418,1317 5.13,1318 9.174,1319 7.516,1320 10.989,1322 15.483,1327 11.362,1328 6.173,1330 5.98,1332 1.167,1333 2.223,1334 -0.173,1340 43.25,1341 100.967,1342 227.801,1343 375.484,1344 412.994,1345 427.258,1346 427.258,1347 87.423,1348 8.93,1349 62.13,1350 62.13,1351 30,1352 13.488,1353 2,1354 2,1355 47.597,1356 121,1357 134,1358 0.203,1359 259.184,1360 471.61,1361 624.169,1362 95370,1364 23.922,1365 0.725,1366 0.658,1367 23.922,1368 21.727,1369 15.42,1370 0.417,1371 0.356,1372 13.035,1373 14.971,1374 12.385,1375 10.219,1376 15.42,1377 13.155,1378 15.936,1379 0.261,1380 0.213,1381 15.936,1382 13,1383 14.291,1384 0.157,1385 0.126,1386 14.291,1387 11.441,1388 12.395,1389 0.095,1390 0.071,1391 12.395,1392 9.192,1393 10.533,1394 0.06,1395 0.041,1396 10.533,1397 7.206,1398 0.305,1399 95.736,1400 0.208,1401 29.406,1402 0.6,1403 196,1404 388.911,1405 207.663,1406 373.244,1407 513.56,1408 350,1409 250,1410 376.589,1411 261.971,1412 387.18,1413 576.29,1414 361,1415 5.281}
{0 CHEMBL392099,1 1.77,2 13.379,3 5.028,4 25.276,5 99.199,6 9.1,7 0.563,8 3.93,9 4.012,10 3.651,11 3.468,12 5.183,13 3.504,14 4.468,15 4.586,16 4.105,17 3.831,18 6.186,19 3.864,20 4.631,21 4.775,22 4.031,23 3.897,24 5.916,25 3.905,26 4.712,27 4.901,28 3.92,29 3.733,30 6.129,31 3.759,32 4.414,33 4.602,34 3.73,35 3.613,36 5.727,37 3.616,38 4.358,39 4.509,40 3.696,41 3.601,42 5.765,43 3.586,44 4.321,45 4.519,46 3.525,47 3.582,48 5.481,49 3.515,50 4.207,51 4.393,52 3.575,53 3.449,54 5.511,55 3.444,56 0.225,57 0.818,58 5.355,59 4.095,60 30.334,61 3.923,62 1.051,63 1.657,64 12.716,65 6.607,66 140.235,67 6.488,68 0.669,69 1.408,70 16.124,71 8.434,72 61.101,73 8.728,74 1.276,75 1.478,76 24.383,77 8.309,78 141.14,79 8.058,80 0.718,81 1.083,82 16.426,83 6.488,84 80.458,85 7.124,86 0.858,87 0.896,88 14.04,89 6.128,90 76.772,91 6.469,92 0.612,93 0.932,94 15.287,95 6.742,96 65.268,97 8.283,98 0.435,99 0.986,100 12.664,101 5.965,102 43.652,103 6.864,104 18,105 46,106 0.303,107 0.567,108 0.676,109 0.766,110 0.793,111 0.808,112 3.407,113 0.818,114 -5.31,115 -5.19,116 -4.85,121 47.7,127 2,134 1,144 10,145 3,146 2,147 1,149 1,161 1,176 10,179 4,180 9,187 9,192 8,200 5,206 13,214 2,218 1,219 10,227 4,232 4,239 8,243 3,244 1,251 10,256 1,264 8,268 2,269 5,277 4,281 1330,282 19.228,283 19.228,284 19.228,285 19.228,286 19.228,287 16.938,288 24.159,289 11.177,290 19.866,291 15.823,292 15.823,293 15.823,294 15.823,295 15.823,296 12.384,297 30.23,298 5.36,299 16.962,300 3.69,301 2.154,302 1.517,303 0.989,304 0.835,305 0.744,306 4.102,311 1,312 1,313 846,314 3.808,317 72.407,318 304.639,321 140.373,325 2.297,326 46.93,329 1,330 1,331 1,332 0.4,333 0.5,334 1,335 1,336 0.84,337 66.5,338 388,339 4.44,340 4.46,341 7.111,342 4.168,343 3.314,344 3.851,345 3.825,346 11.657,347 2.95,348 4.305,349 3.814,350 6.343,351 4.013,352 3.048,353 3.844,354 2.211,355 9.765,356 2.856,357 4.089,358 3.15,359 5.843,360 3.671,361 2.733,362 3.652,363 0.881,364 8.069,365 2.558,366 3.869,367 3.067,368 5.606,369 3.487,370 2.561,371 3.191,372 0.86,373 7.713,374 2.357,375 3.71,376 2.667,377 5.305,378 3.285,379 2.337,380 3.012,381 0.359,382 6.784,383 2.175,384 3.357,385 2.321,386 4.978,387 2.95,388 2.018,389 2.616,390 0.223,391 5.913,392 1.864,393 2.933,394 1.987,395 4.556,396 2.527,397 1.567,398 2.1,400 4.607,401 1.524,402 2.897,403 1.907,404 4.414,405 2.488,406 1.532,407 2.012,409 4.312,410 1.467,411 2.879,412 1.851,413 4.021,414 2.453,415 1.471,416 2.011,418 3.37,419 1.375,420 2.5,421 1.392,422 3.58,423 2.005,424 1.044,425 1.5,427 2.684,428 1,429 2.5,430 1,431 3.414,432 2,433 1,434 1.5,436 2.275,437 0.987,438 2.36,439 1,440 3.414,441 1.958,442 1,443 1.268,445 2.275,446 0.956,447 1.569,448 0.907,449 3.047,450 1.33,451 0.347,452 0.412,454 0.86,455 0.34,456 1.547,457 0.595,458 3,459 1.167,460 0.256,461 0.313,463 0.648,464 0.229,465 1.128,466 0.51,467 2.744,468 0.716,469 -0.212,470 -0.266,472 -0.533,473 -0.194,474 13.157,475 0.454,476 0.877,477 0.03,478 39.75,479 1.371,480 20.5,481 0.707,482 19.25,483 0.664,484 19.796,485 0.683,486 31.243,487 0.71,488 31.792,489 1.096,490 8.286,491 0.286,492 5.595,493 0.193,494 0.09,495 0.038,496 0.296,498 3,501 0.629,502 0.965,503 0.573,504 1.057,505 0.58,506 0.885,507 0.473,508 0.688,509 0.691,510 0.915,511 0.364,512 0.915,513 0.808,514 0.985,515 0.919,516 1.259,517 0.573,518 1.199,519 1.306,520 0.812,521 1.225,522 0.862,523 1.169,524 0.955,525 0.84,526 0.775,527 0.912,528 0.888,529 0.867,530 0.904,531 0.622,532 0.566,533 0.965,534 0.935,535 0.665,536 1.066,537 0.448,538 0.626,539 0.82,540 0.939,541 0.469,542 1.052,543 0.712,544 1.043,545 0.717,546 1.144,547 0.613,548 1.022,549 7.5,550 0.14,551 3.333,552 1.792,553 1.672,554 0.653,555 0.585,556 0.457,557 0.196,558 0.225,559 12843,560 46585,561 2.082,562 34.1,564 14,566 1,572 1.71,573 1.944,574 3.684,575 -0.717,582 77.863,583 1.77,584 3.305,585 3.943,586 4.471,587 4.624,588 4.715,589 3.095,590 4.142,591 4.83,592 3.917,593 1590.41,594 8.361,595 23018.5,597 1,600 240.215,601 1.548,602 4.781,603 0.234,604 0.007,605 0.072,606 0.042,607 0.046,608 0.02,609 0.019,610 0.018,611 0.007,612 0.009,613 0.476,614 0.33,615 1,616 0.729,617 151.578,618 -0.04,619 -0.108,620 0.038,621 -0.092,622 -0.083,623 -0.023,624 0.393,625 0.307,626 0.089,627 0.033,628 0.42,629 -0.054,630 -0.073,631 -0.237,632 -0.068,633 -0.301,634 0.012,635 -0.23,636 -0.204,637 0.069,638 -0.151,639 0.076,640 -0.134,641 0.015,642 -0.05,643 0.006,644 0.053,645 0.056,646 -0.06,647 0.105,648 0.151,649 0.097,650 -0.069,651 0.007,652 0.033,653 -0.091,654 0.162,655 0.006,656 0.144,657 0.051,658 0.068,659 0.061,660 0.028,661 -0.223,662 0.244,663 -0.141,664 0.079,665 0.05,666 5.701,667 5.343,668 0.724,669 32.193,670 1.041,671 1.136,672 4.075,673 16.608,674 0.688,675 3.497,676 3.85,677 4.06,678 4.277,679 4.489,680 4.522,681 4.605,682 4.718,683 4.673,684 4.762,685 8.056,686 0.694,687 400.38,688 3.497,689 5.056,690 5.894,691 6.774,692 7.628,693 8.506,694 9.366,695 10.243,696 11.105,697 11.982,698 4.5,705 1,708 1,715 11,716 1,720 6,722 18,737 1,739 1,741 44,743 19,744 2,745 32,747 47,748 21,749 17,750 4,751 8,756 4,757 5,763 1,769 1,772 18,773 3,777 1,782 1,786 1,791 3,793 15,794 8,796 8,802 2,808 0.75,809 3,822 1,828 1,829 3,832 1,859 3,866 3,868 29,876 2,878 2,881 1,882 1,892 3,893 6.8,896 1,898 2,901 14.917,902 7.995,903 6.139,904 2.474,907 3.256,908 1.423,909 1.003,910 5.164,911 10.962,912 3.761,913 4.35,914 4.846,915 5.35,916 5.876,917 5.954,918 6.247,919 6.582,920 6.788,921 7.113,922 0.889,923 43,924 11.146,926 5.262,927 0.026,929 8.29,931 19.52,933 15.943,936 2.79,937 80.917,940 1,941 176.567,942 147.402,943 19.91,945 47.145,946 44.88,948 147.402,949 223.711,950 64.79,952 7.336,953 94.762,954 53.702,955 95.971,956 11.577,957 164.795,958 7.76,959 176.567,960 167.311,961 92.025,964 176.567,965 92.025,968 24.143,969 126.383,970 16.786,972 221.447,973 67.055,974 147.402,977 184.326,978 35.832,979 106.934,981 108.811,982 176.567,983 111.935,984 147.402,986 0.595,987 0.33,988 0.165,989 0.091,990 23,991 10,992 0.085,993 4,994 1,995 1.095,996 4.197,997 245.854,998 0.095,999 21,1000 120.127,1005 19.285,1006 7.765,1007 4.519,1009 111.935,1010 16.722,1011 3.649,1015 2.049,1018 435.903,1019 42,1024 12.343,1028 -0.459,1031 45.792,1032 49.966,1034 0.324,1035 0.605,1036 0.722,1037 0.819,1038 0.847,1039 0.864,1040 5.014,1041 1.532,1042 5.916,1043 4.607,1044 4.533,1045 5.037,1046 3.484,1047 6.737,1048 4.399,1049 6.232,1050 1.471,1051 7.491,1052 4.312,1053 4.29,1054 4.82,1055 4.006,1056 7.832,1057 3.977,1058 7.545,1059 1.044,1060 9.172,1061 3.37,1062 6.192,1063 7.168,1064 5.565,1065 10.811,1066 5.897,1067 8.889,1068 1,1069 10.92,1070 2.684,1071 6.735,1072 7.673,1073 6.736,1074 12.719,1075 6.249,1076 10.261,1077 1,1078 12.711,1079 2.275,1080 8.163,1081 9.548,1082 8.102,1083 15.289,1084 7.674,1085 11.652,1086 0.347,1087 14.533,1088 2.275,1089 9.046,1090 10.396,1091 9.406,1092 17.516,1093 8.384,1094 13.057,1095 0.256,1096 16.379,1097 0.86,1098 10.3,1099 12.048,1100 10.748,1101 19.976,1102 9.601,1103 3.314,1104 -0.212,1105 18.243,1106 0.648,1107 11.338,1108 13.086,1109 12.081,1110 22.329,1111 10.487,1112 3.048,1113 11.657,1114 20.123,1115 -0.533,1116 12.528,1117 14.615,1118 13.421,1119 24.765,1120 11.612,1121 2.733,1122 9.765,1123 22.015,1124 3.851,1125 13.638,1126 15.765,1127 14.76,1128 27.17,1129 12.585,1130 2.561,1131 8.069,1132 23.918,1133 3.844,1134 14.809,1135 17.221,1136 16.101,1137 29.606,1138 13.671,1139 2.337,1140 7.713,1141 25.829,1142 3.652,1143 15.952,1144 18.441,1145 17.442,1146 32.033,1147 14.688,1148 2.018,1149 6.784,1150 27.747,1151 3.191,1152 17.121,1153 19.852,1154 18.783,1155 34.473,1156 15.758,1157 1.567,1158 5.913,1159 29.672,1160 3.012,1161 18.282,1162 21.116,1163 20.125,1164 36.912,1165 16.798,1166 12087,1167 23306,1168 21.266,1169 30.279,1170 49.157,1171 48.705,1172 48.764,1173 48.753,1174 48.457,1175 62.561,1176 16.716,1177 141.863,1178 45.278,1179 5.361,1180 6.46,1181 6.794,1182 5.28,1183 5.314,1184 6.851,1185 5.529,1186 18.535,1187 4.95,1188 14.6,1189 1.536,1190 1.522,1191 1.524,1192 1.524,1193 1.514,1194 1.955,1195 0.522,1196 4.433,1197 1.415,1198 4.019,1199 4.05,1200 3.964,1201 3.932,1202 8.513,1203 3.933,1204 3.937,1205 3.962,1206 3.896,1207 3.833,1208 7.999,1209 3.842,1210 3.836,1211 3.862,1212 3.794,1213 3.735,1214 7.999,1215 3.744,1216 3.486,1217 3.523,1218 3.434,1219 3.27,1220 7.433,1221 3.296,1222 3.311,1223 3.348,1224 3.327,1225 2.999,1226 5.004,1227 3.061,1228 3.085,1229 3.088,1230 3.01,1231 2.847,1232 4.777,1233 2.877,1234 2.964,1235 3.036,1236 2.8,1237 2.827,1238 4.739,1239 2.827,1240 2.854,1241 2.925,1242 2.755,1243 2.735,1244 4.328,1245 2.715,1246 0.139,1247 0.139,1248 0.222,1249 0.13,1250 0.104,1251 4.44,1252 0.12,1253 4.46,1254 0.12,1255 7.111,1256 0.364,1257 4.168,1258 0.092,1259 3.314,1260 3.851,1261 3.825,1262 11.657,1263 2.95,1264 1.896,1265 1.871,1266 2.012,1267 2.018,1268 1.172,1269 2,1270 1.884,1271 1.866,1272 1.978,1273 1.964,1274 1.045,1275 1.982,1276 1.8,1277 1.772,1278 1.892,1279 1.928,1280 0.959,1281 1.916,1282 1.465,1283 1.41,1284 1.655,1285 1.736,1286 0.914,1287 1.708,1288 1.075,1289 1.057,1290 1.348,1291 1.426,1292 0.528,1293 1.316,1294 1.067,1295 1.007,1296 1.181,1297 1.233,1298 0.22,1299 1.276,1300 0.917,1301 0.904,1302 1.163,1303 1.216,1304 0.218,1305 1.159,1306 0.886,1307 0.821,1308 1.098,1309 1.062,1310 0.14,1311 1.107,1312 4.174,1314 5.517,1315 2.398,1316 7.038,1317 4.727,1318 8.631,1319 6.843,1320 10.259,1324 37.676,1328 0.992,1330 10.797,1333 1.598,1334 -4.451,1340 30.552,1341 77.863,1342 145.432,1343 173.486,1344 196.705,1345 203.46,1346 207.46,1347 56.681,1348 7.706,1349 51.66,1350 51.66,1351 23,1352 12.523,1353 4.322,1354 3.459,1355 45.21,1356 144,1357 112,1358 0.153,1359 182.534,1360 329.9,1361 437.143,1362 26350,1363 6.8,1364 20.433,1365 0.705,1366 0.518,1367 17.933,1368 15.018,1369 13.881,1370 0.434,1371 0.273,1372 8.54,1373 13.118,1374 8.442,1375 6.925,1376 12.67,1377 8.731,1378 13.455,1379 0.293,1380 0.14,1381 11.497,1382 6.449,1383 10.492,1384 0.184,1385 0.077,1386 9.556,1387 4.414,1388 8.4,1389 0.118,1390 0.041,1391 7.701,1392 2.932,1393 6.8,1394 0.077,1395 0.022,1396 6.536,1397 1.915,1398 0.251,1399 88.776,1400 0.217,1401 28.332,1402 0.392,1403 156,1404 696.83,1405 188.224,1406 582.258,1407 762.32,1408 540,1409 181,1410 540.464,1411 206.272,1412 522.449,1413 783.49,1414 489,1415 4.301}
{0 CHEMBL392100,1 1.77,2 13.31,3 5.342,4 28.535,5 99.118,6 9.1,7 0.563,8 3.93,9 4.012,10 3.651,11 3.468,12 5.183,13 3.504,14 4.466,15 4.582,16 4.107,17 3.829,18 6.186,19 3.862,20 4.642,21 4.8,22 4.044,23 3.889,24 5.925,25 3.906,26 4.666,27 4.833,28 3.963,29 3.753,30 6.122,31 3.789,32 4.499,33 4.683,34 3.745,35 3.645,36 5.827,37 3.648,38 4.348,39 4.51,40 3.675,41 3.617,42 5.716,43 3.591,44 4.304,45 4.486,46 3.556,47 3.625,48 5.472,49 3.556,50 4.286,51 4.486,52 3.559,53 3.487,54 5.544,55 3.458,56 0.225,57 0.818,58 5.355,59 4.095,60 30.418,61 3.923,62 1.038,63 1.656,64 12.532,65 6.683,66 141.549,67 6.622,68 0.717,69 1.412,70 17.681,71 8.296,72 62.026,73 8.724,74 1.136,75 1.472,76 20.84,77 7.965,78 122.246,79 7.391,80 0.881,81 1.114,82 18.636,83 6.995,84 102.022,85 7.281,86 0.849,87 0.903,88 14.46,89 6.174,90 78.485,91 6.751,92 0.533,93 0.958,94 13.41,95 6.701,96 53.25,97 8.143,98 0.473,99 1.027,100 14.329,101 6.536,102 46.605,103 7.801,104 18,105 46,106 0.303,107 0.585,108 0.718,109 0.824,110 0.855,111 0.871,112 3.407,113 0.824,114 -5.31,115 -5.19,116 -4.85,121 47.7,123 1,127 1,134 1,144 10,145 2,146 3,147 1,149 1,161 1,176 9,179 4,180 10,187 8,192 8,200 6,206 14,214 3,218 1,219 10,227 4,232 2,239 10,243 3,244 1,251 12,256 1,264 6,268 2,269 6,277 2,281 1308,282 19.281,283 19.281,284 19.281,285 19.281,286 19.281,287 17.015,288 23.024,289 11.196,290 19.926,291 15.806,292 15.806,293 15.806,294 15.806,295 15.806,296 12.385,297 26.48,298 5.328,299 16.959,300 3.69,301 2.046,302 1.272,303 0.654,304 0.472,305 0.381,306 4.102,311 1,312 1,313 841,314 3.808,317 73.24,318 296.455,321 136.393,325 2.231,326 47.211,329 1,330 1,331 1,332 0.4,333 0.5,334 1,335 1,336 0.84,337 66.5,338 386,339 4.44,340 4.46,341 7.111,342 4.168,343 3.314,344 3.919,345 3.825,346 11.657,347 2.999,348 4.392,349 3.832,350 6.682,351 4.094,352 3.14,353 3.845,354 2.208,355 10.765,356 2.856,357 4.082,358 3.106,359 5.707,360 3.661,361 2.726,362 3.648,363 0.86,364 7.872,365 2.548,366 3.839,367 3.055,368 5.59,369 3.437,370 2.517,371 3.183,372 0.655,373 7.525,374 2.298,375 3.661,376 2.658,377 5.294,378 3.24,379 2.28,380 2.962,381 0.13,382 6.663,383 2.153,384 3.347,385 2.319,386 4.981,387 2.94,388 2.002,389 2.608,391 5.901,392 1.859,393 2.939,394 1.992,395 4.558,396 2.543,397 1.567,398 2.107,400 4.609,401 1.541,402 2.903,403 1.908,404 4.422,405 2.477,406 1.546,407 2.016,409 4.059,410 1.402,411 2.845,412 1.671,413 3.918,414 2.395,415 1.41,416 1.948,418 3.318,419 1.362,420 2.5,421 1.202,422 3.554,423 2,424 1.016,425 1.5,427 2.502,428 1,429 2.5,430 1,431 3.414,432 1.989,433 1,434 1.5,436 2.275,437 0.982,438 2.253,439 1,440 3.414,441 1.959,442 1,443 1.187,445 2.275,446 0.956,447 1.72,448 0.911,449 3.109,450 1.462,451 0.491,452 0.583,454 1.183,455 0.473,456 1.542,457 0.668,458 3.011,459 1.158,460 0.239,461 0.294,463 0.601,464 0.216,465 1.127,466 0.51,467 2.705,468 0.715,469 -0.216,470 -0.272,472 -0.539,473 -0.198,474 13.157,475 0.454,476 0.86,477 0.03,478 40.25,479 1.388,480 21,481 0.724,482 19.25,483 0.664,484 19.873,485 0.685,486 31.243,487 0.71,488 31.975,489 1.103,490 8.244,491 0.284,492 5.654,493 0.195,494 0.09,495 0.038,496 0.296,498 3,501 0.629,502 0.965,503 0.573,504 1.057,505 0.58,506 0.885,507 0.455,508 0.73,509 0.676,510 0.969,511 0.36,512 0.953,513 0.827,514 0.915,515 0.863,516 1.108,517 0.564,518 1.044,519 1.283,520 0.884,521 1.22,522 0.997,523 1.152,524 1.049,525 1.005,526 0.728,527 1.051,528 0.847,529 1.018,530 0.922,531 0.554,532 0.516,533 0.916,534 0.835,535 0.607,536 0.988,537 0.367,538 0.685,539 0.838,540 1.065,541 0.402,542 1.177,543 0.656,544 1.018,545 0.768,546 1.192,547 0.572,548 1.11,549 7,550 0.157,551 3.556,552 1.944,553 1.472,554 0.715,555 0.574,556 0.392,557 0.244,558 0.207,559 12623,560 45849,561 2.082,562 34.1,564 12,566 1,569 2,572 1.711,573 1.944,574 3.658,575 -0.717,582 77.863,583 1.77,584 3.413,585 4.187,586 4.806,587 4.988,588 5.079,589 3.108,590 4.28,591 4.83,592 3.894,593 1581.07,594 8.364,595 22691.8,600 240.215,601 1.548,602 4.781,603 0.219,604 0.008,605 0.077,606 0.044,607 0.039,608 0.022,609 0.019,610 0.015,611 0.009,612 0.009,613 0.462,614 0.33,615 1,616 0.729,617 151.165,618 -0.04,619 -0.108,620 0.038,621 -0.092,622 -0.082,623 -0.023,624 0.408,625 0.263,626 0.102,627 -0.016,628 0.425,629 -0.088,630 -0.083,631 -0.172,632 0.02,633 -0.162,634 0.02,635 -0.068,636 -0.191,637 0.045,638 -0.217,639 -0.054,640 -0.123,641 -0.119,642 -0.131,643 0.011,644 -0.053,645 0.094,646 -0.131,647 0.08,648 0.175,649 0.148,650 -0.012,651 0.116,652 0.048,653 0.013,654 0.186,655 -0.024,656 0.058,657 -0.07,658 0.079,659 -0.086,660 0.05,661 -0.238,662 0.225,663 -0.189,664 0.086,665 -0.004,666 5.701,667 5.437,668 0.724,669 31.218,670 1.041,671 1.136,672 4.075,673 16.608,674 0.688,675 3.497,676 3.85,677 4.078,678 4.304,679 4.489,680 4.522,681 4.615,682 4.71,683 4.682,684 4.787,685 7.928,686 0.694,687 400.38,688 3.497,689 5.056,690 5.9,691 6.783,692 7.642,693 8.524,694 9.388,695 10.27,696 11.136,697 12.018,698 4.5,705 1,708 1,715 11,716 1,720 6,722 18,737 1,739 1,741 44,743 19,744 2,745 32,747 47,748 21,749 17,750 4,751 8,756 4,757 5,763 1,767 1,769 1,770 1,772 18,773 3,777 1,782 1,786 1,791 3,793 15,794 8,796 8,802 2,808 0.75,809 3,822 1,828 1,829 3,832 1,859 3,866 3,868 29,876 2,878 2,881 1,882 1,892 3,893 6.8,896 1,898 2,901 14.917,902 7.995,903 6.167,904 2.549,907 3.256,908 1.423,909 1.003,910 5.164,911 10.962,912 3.761,913 4.35,914 4.862,915 5.383,916 5.888,917 5.969,918 6.279,919 6.595,920 6.801,921 7.173,922 0.889,923 44,924 11.148,926 5.267,927 0.026,929 8.29,931 19.52,933 15.947,936 2.79,937 80.917,941 176.567,942 147.402,943 19.91,945 47.145,946 44.88,948 147.402,949 223.711,950 64.79,952 7.765,953 94.762,954 53.702,955 95.542,956 11.577,957 164.795,958 7.76,959 176.567,960 167.311,961 92.025,964 153.024,965 115.567,968 24.571,969 125.954,970 16.786,972 221.447,973 67.055,974 147.402,977 184.326,978 35.832,979 106.934,981 108.811,982 176.567,983 111.935,984 147.402,986 0.594,987 0.335,988 0.171,989 0.09,990 23,991 10,992 0.085,993 4,994 1,995 1.095,996 4.168,997 247.637,998 0.095,999 21,1000 132.127,1005 19.285,1006 7.765,1007 4.356,1009 111.935,1010 16.553,1011 3.651,1015 1.783,1018 435.903,1019 42,1024 12.437,1028 -0.479,1031 45.792,1032 49.966,1034 0.324,1035 0.625,1036 0.767,1037 0.88,1038 0.914,1039 0.93,1040 5.014,1041 1.546,1042 5.922,1043 4.609,1044 4.533,1045 5.037,1046 3.45,1047 6.756,1048 4.396,1049 6.232,1050 1.41,1051 7.504,1052 4.059,1053 4.29,1054 4.82,1055 4.006,1056 7.888,1057 3.966,1058 7.547,1059 1.016,1060 9.196,1061 3.318,1062 6.201,1063 7.174,1064 5.561,1065 10.888,1066 5.897,1067 8.895,1068 1,1069 10.957,1070 2.502,1071 6.758,1072 7.693,1073 6.735,1074 12.836,1075 6.257,1076 10.272,1077 1,1078 12.762,1079 2.275,1080 8.19,1081 9.566,1082 8.102,1083 15.429,1084 7.687,1085 11.67,1086 0.491,1087 14.599,1088 2.275,1089 9.091,1090 10.433,1091 9.406,1092 17.68,1093 8.414,1094 13.083,1095 0.239,1096 16.459,1097 1.183,1098 10.349,1099 12.083,1100 10.748,1101 20.158,1102 9.635,1103 3.314,1104 -0.216,1105 18.337,1106 0.601,1107 11.403,1108 13.142,1109 12.081,1110 22.522,1111 10.54,1112 3.14,1113 11.657,1114 20.229,1115 -0.539,1116 12.599,1117 14.669,1118 13.421,1119 24.967,1120 11.673,1121 2.726,1122 10.765,1123 22.131,1124 3.919,1125 13.72,1126 15.84,1127 14.76,1128 27.374,1129 12.664,1130 2.517,1131 7.872,1132 24.043,1133 3.845,1134 14.897,1135 17.296,1136 16.101,1137 29.812,1138 13.76,1139 2.28,1140 7.525,1141 25.961,1142 3.648,1143 16.048,1144 18.535,1145 17.442,1146 32.237,1147 14.795,1148 2.002,1149 6.663,1150 27.885,1151 3.183,1152 17.222,1153 19.948,1154 18.783,1155 34.673,1156 15.878,1157 1.567,1158 5.901,1159 29.814,1160 2.962,1161 18.387,1162 21.23,1163 20.125,1164 37.106,1165 16.934,1166 11900,1167 22968,1168 21.266,1169 30.279,1170 49.175,1171 48.735,1172 49.029,1173 48.796,1174 48.498,1175 62.601,1176 15.356,1177 142.413,1178 45.289,1179 5.365,1180 6.46,1181 6.792,1182 5.281,1183 5.314,1184 6.919,1185 5.529,1186 18.753,1187 4.999,1188 14.573,1189 1.537,1190 1.523,1191 1.532,1192 1.525,1193 1.516,1194 1.956,1195 0.48,1196 4.45,1197 1.415,1198 4.02,1199 4.051,1200 3.968,1201 3.925,1202 8.513,1203 3.929,1204 3.936,1205 3.961,1206 3.896,1207 3.831,1208 7.999,1209 3.84,1210 3.835,1211 3.861,1212 3.792,1213 3.735,1214 7.999,1215 3.744,1216 3.467,1217 3.51,1218 3.403,1219 3.289,1220 7.433,1221 3.296,1222 3.316,1223 3.351,1224 3.324,1225 3.01,1226 5.004,1227 3.071,1228 3.191,1229 3.207,1230 3.095,1231 2.924,1232 4.781,1233 2.971,1234 2.887,1235 2.928,1236 2.81,1237 2.735,1238 4.737,1239 2.732,1240 2.854,1241 2.925,1242 2.687,1243 2.723,1244 4.325,1245 2.715,1246 0.139,1247 0.139,1248 0.222,1249 0.13,1250 0.104,1251 4.44,1252 0.122,1253 4.46,1254 0.12,1255 7.111,1256 0.364,1257 4.168,1258 0.094,1259 3.314,1260 3.919,1261 3.825,1262 11.657,1263 2.999,1264 1.891,1265 1.871,1266 1.999,1267 2.019,1268 1.174,1269 2.002,1270 1.878,1271 1.854,1272 1.977,1273 1.966,1274 1.046,1275 1.974,1276 1.799,1277 1.772,1278 1.892,1279 1.922,1280 0.982,1281 1.914,1282 1.5,1283 1.439,1284 1.732,1285 1.734,1286 0.958,1287 1.731,1288 1.116,1289 1.101,1290 1.247,1291 1.435,1292 0.359,1293 1.347,1294 1.053,1295 1.024,1296 1.181,1297 1.355,1298 0.22,1299 1.292,1300 0.886,1301 0.821,1302 1.157,1303 1.062,1304 0.218,1305 1.107,1306 0.823,1307 0.791,1308 1.107,1309 1.048,1310 0.176,1311 1.035,1312 4.174,1314 5.517,1315 2.398,1316 7.043,1317 4.727,1318 8.645,1319 6.843,1320 10.284,1324 37.69,1328 1.331,1330 10.827,1333 1.575,1334 -4.451,1340 30.552,1341 77.863,1342 150.187,1343 184.241,1344 211.46,1345 219.46,1346 223.46,1347 57.022,1348 7.706,1349 51.66,1350 51.66,1351 23,1352 12.556,1353 4.322,1354 3.459,1355 45.194,1356 142,1357 112,1358 0.156,1359 182.534,1360 329.9,1361 437.143,1362 26296,1363 6.8,1364 20.433,1365 0.705,1366 0.518,1367 17.933,1368 15.018,1369 13.898,1370 0.434,1371 0.275,1372 8.597,1373 13.134,1374 8.518,1375 6.976,1376 12.687,1377 8.784,1378 13.369,1379 0.291,1380 0.138,1381 11.411,1382 6.355,1383 10.529,1384 0.182,1385 0.076,1386 9.593,1387 4.423,1388 8.625,1389 0.118,1390 0.041,1391 7.925,1392 2.989,1393 6.777,1394 0.077,1395 0.022,1396 6.513,1397 1.895,1398 0.255,1399 88.84,1400 0.217,1401 28.241,1402 0.401,1403 156,1404 696.83,1405 188.557,1406 581.767,1407 764.94,1408 540,1409 182,1410 547.168,1411 207.439,1412 526.732,1413 792.31,1414 495,1415 4.301}
{0 CHEMBL392324,1 1.467,2 8.545,3 4.693,4 22.026,5 91.84,6 8.074,7 0.25,8 3.87,9 3.998,10 3.519,11 3.468,12 4.788,13 3.396,14 4.48,15 4.675,16 3.96,17 3.905,18 5.339,19 3.799,20 4.784,21 5.031,22 4.006,23 4.01,24 5.68,25 3.87,26 4.767,27 5.026,28 3.799,29 3.901,30 5.682,31 3.775,32 4.618,33 4.843,34 3.75,35 3.867,36 5.567,37 3.755,38 4.713,39 4.948,40 3.779,41 3.962,42 5.596,43 3.812,44 4.765,45 5.028,46 3.76,47 3.975,48 5.557,49 3.777,50 4.721,51 5.009,52 3.902,53 3.868,54 5.472,55 3.617,56 0.031,57 0.626,58 9.245,59 4.533,60 4.528,61 6.242,62 0.175,63 1.085,64 20.493,65 8.139,66 13.467,67 11.281,68 0.267,69 1.347,70 36.887,71 10.733,72 29.103,73 14.676,74 0.354,75 1.29,76 36.233,77 9.49,78 39.371,79 13.013,80 0.257,81 1.148,82 23.855,83 8.387,84 34.485,85 11.61,86 0.265,87 1.233,88 33.762,89 10.11,90 32.585,91 13.854,92 0.197,93 1.241,94 31.132,95 11.523,96 31.051,97 15.64,98 0.261,99 1.132,100 37.902,101 11.41,102 34.95,103 15.368,104 13,105 34,106 0.257,107 0.526,108 0.699,109 0.805,110 0.805,111 0.805,112 3.148,113 1.136,114 -5.42,115 -5.3,116 -4.95,119 1,121 40,122 1,123 7,127 1,132 1,144 4,145 1,146 1,160 2,176 10,179 2,180 5,187 11,191 1,192 10,200 5,206 11,214 4,219 7,227 9,232 6,239 15,244 1,251 17,256 2,264 11,277 5,281 686,282 14.93,283 14.93,284 14.93,285 14.93,286 14.93,287 13.879,288 14.781,289 8.886,290 15.222,291 11.78,292 11.78,293 11.78,294 11.78,295 11.78,296 10.109,297 17.388,298 4.142,299 12.334,300 4.024,301 2.494,302 1.506,303 0.906,304 0.906,305 0.906,306 3.824,311 1,312 1,313 399,314 3.082,317 121.009,318 71.7,325 1.182,326 18.01,328 1,329 0.75,330 1,331 1,332 1,333 1,334 1,335 1,336 0.96,337 45.75,338 188,339 4.716,340 4.199,341 7.718,342 4.567,343 3.593,344 3.938,345 2.021,346 14.285,347 3.497,348 4.023,349 3.072,350 6.217,351 3.677,352 2.718,353 3.609,354 1.358,355 9.137,356 2.606,357 3.71,358 2.908,359 5.39,360 3.431,361 2.492,362 2.833,363 0.69,364 7.051,365 2.339,366 3.403,367 2.832,368 5.14,369 2.968,370 2.064,371 2.657,372 0.239,373 5.753,374 1.832,375 3.151,376 2.511,377 4.879,378 2.786,379 1.799,380 2.213,382 5.272,383 1.672,384 2.5,385 1.631,386 4.016,387 2.378,388 1.385,389 1.5,391 3.031,392 1.369,393 2.476,394 1.472,395 3.645,396 2.311,397 1.332,398 1.452,400 2.639,401 1.297,402 2.4,403 1.255,404 3.618,405 2,406 1,407 1.39,409 2.275,410 1,411 1.888,412 1,413 3.414,414 1.618,415 0.618,416 0.668,418 1.464,419 0.618,420 1.618,421 0.618,422 3.199,423 1.568,424 0.566,425 0.618,427 1.354,428 0.547,429 1.348,430 0.604,431 2.942,432 1.168,433 0.199,434 0.217,436 0.341,437 0.186,438 1.235,439 0.478,440 2.734,441 0.791,442 -0.113,443 -0.141,445 -0.261,446 -0.079,447 0.536,448 -0.113,449 2.327,450 0.361,451 -0.574,452 -0.604,454 -1.377,455 -0.478,456 0.5,457 -0.377,458 2,459 0.025,460 -0.876,461 -0.971,463 -2.108,464 -0.719,465 0.314,466 -0.6,467 1.937,469 -1,470 -1.336,472 -2.54,473 -1,474 11.467,475 0.521,476 0.528,477 0.024,478 22.5,479 1.023,480 9,481 0.409,482 13.5,483 0.614,484 23.913,485 1.087,486 23.933,487 0.532,488 12.488,489 0.568,490 3.477,491 0.158,492 7.167,493 0.326,494 0.189,495 0.044,496 0.209,501 0.618,502 1.351,503 0.517,504 0.957,505 0.53,506 1.007,507 0.585,508 1.2,509 0.542,510 0.9,511 0.535,512 0.972,513 0.987,514 1.147,515 0.793,516 0.959,517 0.888,518 0.965,519 1.838,520 0.914,521 0.718,522 0.778,523 1.856,524 0.853,525 1.678,526 1.003,527 0.407,528 0.77,529 1.76,530 0.931,531 1.228,532 1.017,533 0.735,534 0.998,535 1.312,536 1.066,537 0.832,538 0.982,539 0.477,540 0.882,541 1.063,542 1.019,543 0.528,544 0.978,545 0.712,546 0.987,547 0.765,548 1.044,549 5,550 0.049,551 2.889,552 1.986,553 1.312,554 0.74,555 0.451,556 0.256,557 0.199,558 0.092,559 4544,560 10679,561 2.059,562 51.1,563 11,564 6,568 2,569 4,572 1.651,573 1.927,574 3.057,575 -0.807,582 66.033,583 1.467,584 2.998,585 3.986,586 4.586,587 4.586,588 4.586,589 2.465,590 4.096,591 4.425,592 3.188,593 736.381,594 7.638,595 7996.89,597 1,600 247.133,601 1.529,602 4.381,603 0.208,604 0.012,605 0.085,606 0.06,607 0.045,608 0.026,609 0.016,610 0.011,611 0.012,612 0.012,613 0.486,614 0.5,615 1,616 1.203,617 99.708,618 0.021,619 -0.147,620 0.008,621 -0.029,622 0.004,623 0.003,624 0.194,625 -0.074,626 0.039,627 -0.005,628 0.061,629 -0.001,630 0.075,631 -0.11,632 -0.006,633 -0.052,634 0.082,635 -0.021,636 -0.245,637 0.128,638 -0.044,639 0.06,640 -0.184,641 0.035,642 -0.233,643 0.064,644 -0.016,645 0.032,646 -0.099,647 -0.029,648 -0.12,649 0.002,650 -0.063,651 -0.1,652 -0.057,653 -0.115,654 -0.036,655 -0.045,656 0.033,657 -0.005,658 -0.042,659 -0.05,660 0.152,661 -0.096,662 0.106,663 -0.032,664 0.026,665 -0.052,666 1.668,667 5.977,668 0.682,669 17.124,670 0.988,671 1.125,672 4.187,673 17.534,674 0.671,675 3.219,676 3.555,677 3.85,678 4.127,679 4.317,680 4.369,681 4.443,682 4.5,683 4.419,684 4.331,685 5.133,686 0.613,687 363.33,688 3.219,689 4.762,690 5.624,691 6.524,692 7.418,693 8.33,694 9.239,695 10.158,696 11.074,697 11.998,698 4.4,705 1,707 1,715 4,720 2,722 6,740 1,741 45,743 8,744 1,745 24,746 1,747 47,748 18,749 6,750 2,751 4,756 3,757 3,763 1,767 4,768 1,770 7,772 8,773 10,774 1,777 2,782 1,785 1,786 2,790 1,793 23,794 3,796 4,797 1,802 2,804 1,808 0.667,809 1,828 2,829 1,844 1,859 2,863 1,864 1,868 22,876 8,881 1,882 1,892 1,893 2.2,896 1,901 11.417,902 8.293,903 4.931,904 3.245,907 1.4,908 1.209,909 0.954,910 4.795,911 8.097,912 3.401,913 3.902,914 4.385,915 4.831,916 5.238,917 5.267,918 5.427,919 5.764,920 5.941,921 6.063,922 0.833,923 33,924 8.231,926 3.51,927 0.026,929 7.53,931 16.326,933 13.916,936 2.03,937 44.667,938 0.001,940 1,941 270.735,942 79.851,943 65.864,945 25.145,948 125.805,949 295.88,950 19.91,951 8.825,952 22.972,953 37.905,954 32.177,955 23.026,957 270.735,958 45.954,959 270.735,960 99.761,961 25.145,963 45.954,964 223.651,965 72.229,968 48.582,969 51.178,971 45.954,972 270.735,973 45.055,974 125.805,977 270.735,978 33.121,979 49.855,980 45.954,981 41.93,982 270.735,983 45.055,984 125.805,986 0.575,987 0.341,988 0.185,989 0.106,990 17,991 7,992 0.106,993 5,995 1.067,996 3.377,997 174.483,999 16,1000 90.107,1005 15.892,1006 6.638,1007 3.214,1009 45.055,1010 8.219,1015 2.229,1018 441.595,1019 29,1024 12.977,1027 4.916,1028 1.246,1031 44.48,1032 50.615,1034 0.267,1035 0.546,1036 0.726,1037 0.835,1038 0.835,1039 0.835,1040 4.668,1041 1,1042 5.645,1043 2.639,1044 4.234,1045 4.585,1046 2.484,1047 6.547,1048 4.15,1049 5.859,1050 0.618,1051 7.266,1052 2.275,1053 4.007,1054 4.407,1055 1.912,1056 7.951,1057 3.844,1058 7.183,1059 0.566,1060 9.013,1061 1.464,1062 5.953,1063 6.645,1064 3.336,1065 11.053,1066 5.802,1067 8.55,1068 0.199,1069 10.844,1070 1.354,1071 6.621,1072 7.274,1073 3.412,1074 13.338,1075 6.427,1076 9.958,1077 -0.113,1078 12.732,1079 0.341,1080 8.077,1081 9.018,1082 4.481,1083 16.09,1084 7.875,1085 11.394,1086 -0.574,1087 14.661,1088 -0.261,1089 9.116,1090 9.995,1091 4.859,1092 18.641,1093 8.888,1094 12.851,1095 -0.876,1096 16.619,1097 -1.377,1098 10.428,1099 11.546,1100 5.761,1101 21.319,1102 10.183,1103 3.593,1104 -1,1105 18.599,1106 -2.108,1107 11.612,1108 12.692,1109 6.291,1110 23.945,1111 11.345,1112 2.718,1113 14.285,1114 20.595,1115 -2.54,1116 12.888,1117 14.152,1118 7.104,1119 26.608,1120 12.599,1121 2.492,1122 9.137,1123 22.602,1124 3.938,1125 14.128,1126 15.388,1127 7.714,1128 29.257,1129 13.815,1130 2.064,1131 7.051,1132 24.618,1133 3.609,1134 15.399,1135 16.802,1136 8.479,1137 31.916,1138 15.062,1139 1.799,1140 5.753,1141 26.64,1142 2.833,1143 16.661,1144 18.088,1145 9.132,1146 34.572,1147 16.299,1148 1.385,1149 5.272,1150 28.668,1151 2.657,1152 17.933,1153 19.477,1154 9.869,1155 37.231,1156 17.546,1157 1.332,1158 3.031,1159 30.699,1160 2.213,1161 19.204,1162 20.793,1163 10.545,1164 39.889,1165 18.791,1166 4512,1167 7040,1168 15.89,1169 30.194,1170 35.937,1171 36.741,1172 38.022,1173 35.861,1174 35.534,1175 42.188,1176 8.615,1177 105.202,1178 33.926,1179 5.697,1180 6.199,1181 7.578,1182 5.62,1183 5.593,1184 6.938,1185 3.519,1186 22.256,1187 5.497,1188 10.102,1189 1.497,1190 1.531,1191 1.584,1192 1.494,1193 1.481,1194 1.758,1195 0.359,1196 4.383,1197 1.414,1198 4.027,1199 4.07,1200 6.88,1201 3.917,1202 7.427,1203 3.914,1204 3.877,1205 3.906,1206 3.957,1207 3.816,1208 4.761,1209 3.806,1210 3.678,1211 3.746,1212 3.73,1213 3.552,1214 4.627,1215 3.533,1216 3.483,1217 3.551,1218 3.51,1219 3.303,1220 4.144,1221 3.302,1222 3.14,1223 3.221,1224 3.325,1225 3.032,1226 4.042,1227 2.987,1228 3.033,1229 3.083,1230 2.927,1231 2.872,1232 3.837,1233 2.86,1234 2.869,1235 2.979,1236 2.803,1237 2.735,1238 3.674,1239 2.715,1240 2.854,1241 2.925,1242 2.687,1243 2.671,1244 3.482,1245 2.635,1246 0.197,1247 0.175,1248 0.322,1249 0.19,1250 0.15,1251 4.716,1252 0.164,1253 4.199,1254 0.084,1255 7.718,1256 0.595,1257 4.567,1258 0.146,1259 3.593,1260 3.938,1261 2.021,1262 14.285,1263 3.497,1264 1.908,1265 1.884,1266 2.006,1267 1.989,1268 1.28,1269 2.003,1270 1.727,1271 1.666,1272 1.97,1273 1.892,1274 1.211,1275 1.922,1276 1.619,1277 1.581,1278 1.86,1279 1.781,1280 1.188,1281 1.793,1282 1.577,1283 1.507,1284 1.793,1285 1.751,1286 1.144,1287 1.784,1288 1.398,1289 1.331,1290 1.628,1291 1.623,1292 0.817,1293 1.627,1294 1.138,1295 1.064,1296 1.432,1297 1.354,1298 0.659,1299 1.397,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.265,1305 1.107,1306 0.803,1307 0.763,1308 1.098,1309 1.039,1310 0.218,1311 1.049,1312 3.892,1314 5.22,1315 3.045,1316 6.749,1317 5.476,1318 8.373,1319 7.644,1320 10.054,1321 3.461,1322 2.182,1328 7.906,1333 1.949,1334 -0.418,1340 27.578,1341 66.033,1342 134.913,1343 179.359,1344 206.379,1345 206.379,1346 206.379,1347 39.848,1348 6.697,1349 32.67,1350 32.67,1351 16,1352 12.506,1353 3.17,1354 2.585,1355 34.235,1356 64,1357 76,1358 0.259,1359 176.114,1360 308.85,1361 421.478,1362 5768,1363 2.2,1364 15.579,1365 0.708,1366 0.67,1367 16.579,1368 14.733,1369 10.644,1370 0.443,1371 0.379,1372 8.291,1373 9.864,1374 8.026,1375 6.659,1376 11.221,1377 9.089,1378 9.49,1379 0.279,1380 0.215,1381 10.307,1382 7.304,1383 8.151,1384 0.177,1385 0.114,1386 8.728,1387 5.265,1388 6.589,1389 0.108,1390 0.061,1391 6.922,1392 3.735,1393 5.283,1394 0.071,1395 0.035,1396 5.754,1397 2.598,1398 0.392,1399 73.73,1400 0.251,1401 21.377,1402 0.757,1403 116,1404 273.68,1405 189.275,1406 304.522,1407 409.33,1408 284,1409 138,1410 277.708,1411 175.166,1412 293.975,1413 435.95,1414 278,1415 7.155}
{0 CHEMBL392385,1 1.909,2 13.379,3 5.932,4 35.183,5 100.614,6 9.833,7 0.581,8 3.897,9 3.974,10 3.673,11 3.431,12 5.2,13 3.468,14 4.403,15 4.516,16 4.129,17 3.76,18 6.187,19 3.799,20 4.559,21 4.689,22 4.092,23 3.838,24 5.943,25 3.862,26 4.628,27 4.788,28 4.013,29 3.721,30 6.137,31 3.756,32 4.472,33 4.64,34 3.873,35 3.685,36 5.838,37 3.684,38 4.404,39 4.55,40 3.834,41 3.661,42 5.869,43 3.623,44 4.316,45 4.518,46 3.577,47 3.594,48 5.487,49 3.516,50 4.241,51 4.432,52 3.679,53 3.473,54 5.566,55 3.454,56 0.281,57 0.782,58 4.006,59 3.848,60 33.664,61 3.539,62 1.083,63 1.544,64 10.647,65 6.155,66 144.069,67 5.756,68 0.81,69 1.281,70 15.944,71 7.668,72 67.359,73 7.18,74 1.289,75 1.375,76 20.655,77 7.758,78 133.846,79 6.563,80 0.936,81 1.076,82 17.898,83 7.024,84 110.04,85 6.901,86 1.029,87 0.893,88 18.341,89 6.791,90 91.279,91 6.971,92 0.658,93 0.921,94 14.952,95 6.855,96 67.599,97 8.573,98 0.568,99 0.966,100 13.718,101 6.309,102 57.291,103 7.281,104 38,105 44,106 0.33,107 0.598,108 0.726,109 0.836,110 0.852,111 0.868,112 3.407,113 0.834,114 -5.31,115 -5.19,116 -4.85,121 46.5,126 1,134 1,144 10,145 1,146 4,147 1,149 1,161 1,176 6,179 4,180 9,187 8,192 7,200 4,206 13,214 3,218 1,219 8,227 4,232 4,239 8,243 3,244 1,251 8,256 1,264 6,268 2,269 5,277 4,281 1348,282 18.781,283 18.781,284 18.781,285 18.781,286 18.781,287 16.49,288 23.069,289 10.888,290 19.565,291 15.275,292 15.275,293 15.275,294 15.275,295 15.275,296 11.836,297 27.815,298 5.189,299 16.686,300 3.517,301 1.972,302 1.226,303 0.593,304 0.5,305 0.407,306 4.084,308 1,312 1,313 815,314 4.123,318 339.201,325 2.297,326 49.973,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 66.833,338 388,339 4.44,340 4.46,341 7.111,342 4.168,343 3.314,344 3.846,345 3.825,346 11.657,347 2.856,348 4.234,349 3.802,350 6.352,351 3.906,352 2.97,353 3.746,354 2.208,355 9.497,356 2.769,357 4.07,358 3.076,359 5.626,360 3.645,361 2.713,362 3.642,363 0.86,364 7.81,365 2.531,366 3.838,367 2.992,368 5.432,369 3.409,370 2.497,371 3.187,372 0.655,373 7.196,374 2.246,375 3.697,376 2.704,377 5.179,378 3.242,379 2.319,380 3.025,381 0.13,382 6.364,383 2.11,384 3.394,385 2.492,386 4.977,387 2.974,388 2.057,389 2.673,391 5.897,392 1.862,393 3.132,394 2.308,395 4.67,396 2.652,397 1.711,398 2.317,400 4.798,401 1.543,402 2.899,403 1.909,404 4.552,405 2.464,406 1.553,407 2.011,409 4.578,410 1.374,411 2.671,412 1.446,413 3.557,414 2.178,415 1.2,416 1.742,418 2.639,419 1.147,420 2.5,421 1.038,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1,431 3.414,432 1.959,433 1,434 1.5,436 2.275,437 0.956,438 1.951,439 1,440 3.408,441 1.625,442 0.682,443 0.81,445 1.712,446 0.634,447 1.542,448 0.89,449 3.024,450 1.154,451 0.237,452 0.292,454 0.593,455 0.214,456 1.127,457 0.51,458 2.686,459 0.711,460 -0.225,461 -0.285,463 -0.554,464 -0.207,465 0.927,466 0.51,467 2.504,468 0.414,469 -0.406,470 -0.51,472 -0.9,473 -0.256,474 13.371,475 0.461,476 0.953,477 0.033,478 40,479 1.379,480 21,481 0.724,482 19,483 0.655,484 20.231,485 0.698,486 31.629,487 0.736,488 33.041,489 1.139,490 8.365,491 0.288,492 5.354,493 0.185,494 0.18,495 0.037,496 0.292,498 3,501 0.65,502 0.998,503 0.518,504 1.014,505 0.611,506 0.874,507 0.506,508 0.706,509 0.595,510 0.84,511 0.39,512 0.844,513 0.937,514 0.979,515 0.98,516 1.154,517 0.639,518 1.087,519 1.322,520 0.872,521 1.114,522 0.923,523 1.209,524 1.015,525 0.967,526 0.746,527 0.968,528 0.841,529 0.992,530 0.915,531 0.512,532 0.559,533 1.188,534 1.124,535 0.568,536 1.232,537 0.358,538 0.645,539 0.616,540 0.924,541 0.398,542 1.064,543 0.695,544 1.025,545 0.654,546 1.065,547 0.595,548 0.996,549 8,550 0.202,551 3.556,552 2,553 1.547,554 0.944,555 0.544,556 0.42,557 0.304,558 0.212,559 11949,560 51093,561 1.985,562 32.6,564 13,566 1,572 1.711,573 1.822,574 3.683,575 -0.683,582 82.078,583 1.909,584 3.455,585 4.2,586 4.833,587 4.926,588 5.019,589 3.095,590 4.418,591 4.829,592 3.919,593 1591.09,594 8.366,595 23107.1,600 233.329,601 1.658,602 4.76,603 0.258,604 0.011,605 0.081,606 0.047,607 0.042,608 0.028,609 0.018,610 0.016,611 0.011,612 0.009,613 0.52,614 0.33,615 1,616 0.805,617 151.664,618 -0.048,619 -0.132,620 0.017,621 -0.112,622 -0.105,623 -0.043,624 0.383,625 0.31,626 0.116,627 0.076,628 0.428,629 0.001,630 -0.148,631 -0.211,632 -0.107,633 -0.22,634 -0.017,635 -0.152,636 -0.231,637 0.067,638 -0.191,639 0.013,640 -0.166,641 -0.087,642 -0.132,643 0.01,644 -0.044,645 0.098,646 -0.14,647 0.084,648 0.226,649 0.085,650 -0.142,651 -0.16,652 0.078,653 -0.224,654 0.217,655 -0.011,656 0.207,657 0.039,658 0.105,659 0.083,660 0.044,661 -0.234,662 0.275,663 -0.077,664 0.095,665 0.115,666 5.713,667 5.241,668 0.621,669 32.706,670 1.049,671 1.137,672 4.075,673 16.608,674 0.701,675 3.466,676 3.807,677 3.97,678 4.127,679 4.317,680 4.304,681 4.357,682 4.419,683 4.407,684 4.489,685 8.065,686 0.706,687 422.81,688 3.466,689 5.017,690 5.838,691 6.706,692 7.541,693 8.406,694 9.245,695 10.109,696 10.951,697 11.814,698 4.7,705 1,708 1,715 11,716 1,720 6,722 18,737 1,739 1,740 1,741 43,743 19,744 2,745 31,747 45,748 20,749 17,750 4,751 8,756 3,757 3,758 1,763 1,769 1,772 18,773 2,777 1,782 1,786 1,791 3,793 14,794 8,796 9,797 1,802 2,808 1,809 3,822 1,829 3,859 3,864 1,865 1,866 3,868 29,878 2,881 1,882 1,892 4,893 7,896 1,898 2,901 15.917,902 8.138,903 6.222,904 2.303,907 3.084,908 1.425,909 0.967,910 6.308,911 10.337,912 3.738,913 4.324,914 4.802,915 5.298,916 5.809,917 5.856,918 6.114,919 6.411,920 6.638,921 7.015,922 0.889,923 43,924 11.101,926 5.137,927 0.026,929 8.398,931 19.087,933 14.948,936 2.898,937 84.028,941 164.795,942 151.473,943 19.91,944 39.149,945 47.145,946 44.88,948 151.473,949 251.089,950 64.79,951 8.396,952 3.124,953 94.762,954 53.702,955 95.857,956 11.577,957 153.024,958 46.908,959 164.795,960 171.383,961 92.025,962 39.149,964 164.795,965 92.025,968 19.931,969 134.666,970 55.934,972 209.676,973 67.055,974 190.621,977 172.555,978 31.507,979 115.331,981 147.959,982 164.795,983 111.935,984 190.621,986 0.595,987 0.326,988 0.155,989 0.084,990 20,991 10,992 0.111,993 5,995 1,996 4.088,997 236.966,999 18,1000 132.127,1005 20.968,1006 8.724,1007 5.626,1009 111.935,1010 15.405,1011 3.63,1015 0.771,1018 467.352,1019 41,1024 12.241,1028 -0.62,1031 45.116,1032 48.91,1034 0.352,1035 0.637,1036 0.774,1037 0.891,1038 0.908,1039 0.925,1040 4.98,1041 1.553,1042 5.866,1043 4.798,1044 4.489,1045 5.011,1046 3.45,1047 6.673,1048 4.317,1049 6.206,1050 1.2,1051 7.44,1052 4.578,1053 4.29,1054 4.82,1055 4.006,1056 7.779,1057 3.895,1058 7.519,1059 1,1060 9.122,1061 2.639,1062 6.142,1063 7.145,1064 5.561,1065 10.736,1066 5.778,1067 8.861,1068 1,1069 10.869,1070 2.275,1071 6.698,1072 7.639,1073 6.735,1074 12.645,1075 6.097,1076 10.229,1077 0.682,1078 12.659,1079 2.275,1080 8.101,1081 9.512,1082 8.102,1083 15.217,1084 7.506,1085 11.615,1086 0.237,1087 14.482,1088 1.712,1089 8.987,1090 10.334,1091 9.406,1092 17.447,1093 8.17,1094 13.015,1095 -0.225,1096 16.329,1097 0.593,1098 10.228,1099 11.991,1100 10.748,1101 19.915,1102 9.374,1103 3.314,1104 -0.406,1105 18.196,1106 -0.554,1107 11.265,1108 12.999,1109 12.081,1110 22.273,1111 10.213,1112 2.97,1113 11.657,1114 20.078,1115 -0.9,1116 12.45,1117 14.533,1118 13.421,1119 24.717,1120 11.322,1121 2.713,1122 9.497,1123 21.974,1124 3.846,1125 13.559,1126 15.655,1127 14.76,1128 27.126,1129 12.251,1130 2.497,1131 7.81,1132 23.88,1133 3.746,1134 14.729,1135 17.113,1136 16.101,1137 29.568,1138 13.315,1139 2.319,1140 7.196,1141 25.795,1142 3.642,1143 15.872,1144 18.309,1145 17.442,1146 32,1147 14.292,1148 2.057,1149 6.364,1150 27.718,1151 3.187,1152 17.041,1153 19.719,1154 18.783,1155 34.444,1156 15.337,1157 1.711,1158 5.897,1159 29.646,1160 3.025,1161 18.202,1162 20.963,1163 20.125,1164 36.887,1165 16.339,1166 11672,1167 24366,1168 19.879,1169 30.137,1170 47.35,1171 46.91,1172 47.626,1173 46.936,1174 46.506,1175 60.579,1176 15.356,1177 134.586,1178 42.486,1179 5.313,1180 6.46,1181 6.663,1182 5.272,1183 5.314,1184 6.846,1185 5.529,1186 18.536,1187 4.856,1188 17.803,1189 1.527,1190 1.513,1191 1.536,1192 1.514,1193 1.5,1194 1.954,1195 0.495,1196 4.341,1197 1.371,1198 3.973,1199 3.994,1200 4.01,1201 3.869,1202 8.513,1203 3.874,1204 3.904,1205 3.932,1206 3.911,1207 3.82,1208 7.999,1209 3.822,1210 3.834,1211 3.859,1212 3.799,1213 3.735,1214 7.999,1215 3.744,1216 3.471,1217 3.51,1218 3.513,1219 3.209,1220 7.433,1221 3.249,1222 3.308,1223 3.347,1224 3.336,1225 2.994,1226 5.007,1227 3.055,1228 3.028,1229 3.057,1230 3.207,1231 2.796,1232 4.937,1233 2.797,1234 2.878,1235 2.925,1236 2.903,1237 2.759,1238 4.766,1239 2.764,1240 2.854,1241 2.922,1242 2.691,1243 2.735,1244 4.386,1245 2.715,1246 0.143,1247 0.144,1248 0.229,1249 0.134,1250 0.107,1251 4.44,1252 0.124,1253 4.46,1254 0.123,1255 7.111,1256 0.376,1257 4.168,1258 0.092,1259 3.314,1260 3.846,1261 3.825,1262 11.657,1263 2.856,1264 1.896,1265 1.875,1266 1.988,1267 2.024,1268 1.081,1269 2.01,1270 1.875,1271 1.853,1272 1.969,1273 1.985,1274 1.043,1275 1.982,1276 1.798,1277 1.771,1278 1.892,1279 1.916,1280 0.959,1281 1.911,1282 1.361,1283 1.305,1284 1.627,1285 1.633,1286 0.678,1287 1.626,1288 1.074,1289 1.053,1290 1.181,1291 1.426,1292 0.22,1293 1.317,1294 0.897,1295 0.868,1296 1.165,1297 1.237,1298 0.218,1299 1.188,1300 0.886,1301 0.824,1302 1.126,1303 1.062,1304 0.186,1305 1.107,1306 0.868,1307 0.821,1308 1.064,1309 1.019,1310 0.126,1311 1.06,1312 4.143,1314 5.476,1316 6.987,1318 8.57,1320 10.187,1322 1.543,1323 5.915,1324 37.643,1330 10.668,1333 1.294,1334 -4.463,1340 30.379,1341 82.078,1342 148.547,1343 180.6,1344 207.82,1345 211.82,1346 215.82,1347 67.43,1348 7.253,1349 51.66,1350 51.66,1351 18,1352 12.366,1353 4.322,1354 3.459,1355 52.989,1356 144,1357 112,1358 0.18,1359 188.668,1360 340.17,1361 452.11,1362 14537,1363 9.3,1364 21.018,1365 0.725,1366 0.543,1367 19.018,1368 15.738,1369 13.719,1370 0.443,1371 0.278,1372 8.083,1373 12.637,1374 7.921,1375 6.538,1376 12.797,1377 8.623,1378 13.31,1379 0.303,1380 0.143,1381 11.761,1382 6.3,1383 10.028,1384 0.193,1385 0.077,1386 9.354,1387 4.019,1388 7.602,1389 0.125,1390 0.04,1391 7.156,1392 2.449,1393 5.986,1394 0.081,1395 0.022,1396 5.947,1397 1.595,1398 0.295,1399 91.028,1400 0.224,1401 28.32,1402 0.463,1403 150,1404 717.034,1405 197.743,1406 630.511,1407 811.24,1408 582,1409 171,1410 549.678,1411 205.698,1412 540.621,1413 804.93,1414 505,1415 4.301}
{0 CHEMBL392577,1 1.345,2 8.167,3 6.502,4 42.281,5 123.514,6 8.586,7 0.8,8 3.97,9 4.051,10 3.728,11 3.74,12 5.097,13 3.685,14 4.454,15 4.553,16 4.147,17 4.165,18 5.55,19 4.09,20 4.739,21 4.887,22 4.307,23 4.329,24 5.783,25 4.241,26 4.777,27 4.92,28 4.283,29 4.315,30 5.922,31 4.239,32 4.807,33 4.941,34 4.302,35 4.308,36 6.071,37 4.26,38 4.836,39 4.983,40 4.213,41 4.347,42 6.008,43 4.27,44 4.849,45 5.021,46 4.181,47 4.399,48 5.84,49 4.27,50 4.825,51 5.022,52 4.04,53 4.324,54 5.733,55 4.145,56 0.019,57 0.471,58 7.093,59 3.629,60 5.098,61 4.607,62 0.089,63 0.814,64 12.696,65 6.248,66 8.545,67 7.854,68 0.114,69 1.229,70 23.091,71 9.893,72 12.199,73 11.899,74 0.132,75 1.281,76 24.613,77 10.331,78 17.746,79 11.775,80 0.214,81 1.279,82 23.291,83 9.907,84 40.271,85 10.914,86 0.247,87 1.301,88 21.928,89 9.891,90 50.333,91 11.365,92 0.145,93 1.313,94 23.826,95 11.137,96 29.791,97 14.323,98 0.085,99 1.335,100 27.137,101 12.286,102 20.515,103 16.05,104 2,105 51,106 0.222,107 0.386,108 0.518,109 0.691,110 0.761,111 0.775,112 3.443,113 0.92,114 -6.76,115 -6.57,116 -6.09,121 57.4,144 17,145 5,146 4,160 1,176 22,179 1,180 4,187 28,192 9,200 27,206 12,214 20,219 15,227 25,232 6,239 32,251 38,264 37,277 20,281 1332,282 21.121,283 21.121,284 21.121,285 21.121,286 21.121,287 17.777,288 11.558,289 12.471,290 21.358,291 17.342,292 17.342,293 17.342,294 17.342,295 17.342,296 12.338,297 13.437,298 5.927,299 17.778,300 4.21,301 3.212,302 2.415,303 1.362,304 0.936,305 0.851,306 4.172,312 1,313 561,314 2.828,318 305.686,322 346.346,325 1.044,326 15.991,329 0.75,330 0.67,331 0.83,332 0.3,334 0.83,335 1,336 0.63,337 61.5,338 245,339 4.765,340 4.609,341 7.145,342 4.364,343 3.388,344 4.762,345 2.95,346 12.469,347 3.329,348 4.51,349 3.768,350 6.816,351 4.121,352 3.16,353 4.101,354 1.2,355 11.293,356 3.005,357 4.032,358 3.221,359 5.982,360 3.532,361 2.532,362 3.798,363 0.293,364 8.37,365 2.532,366 3.962,367 3.105,368 5.982,369 3.502,370 2.532,371 3.58,373 8.37,374 2.447,375 3.833,376 2.667,377 5.828,378 3.429,379 2.456,380 3.278,382 7.907,383 2.391,384 3.344,385 2.532,386 5.349,387 2.941,388 2,389 2.611,391 6.458,392 1.871,393 3.028,394 1.955,395 4.558,396 2.544,397 1.56,398 2.274,400 4.132,401 1.534,402 2.973,403 1.788,404 4.116,405 2.493,406 1.512,407 2.169,409 3.329,410 1.459,411 2.847,412 1.628,413 4.116,414 2.35,415 1.347,416 2.021,418 3.329,419 1.349,420 2.844,421 1.511,422 3.814,423 2.347,424 1.347,425 1.966,427 3.219,428 1.347,429 2.819,430 1.348,431 3.664,432 2.336,433 1.333,434 1.932,436 3.035,437 1.329,438 2.747,439 1.347,440 3.594,441 2.247,442 1.247,443 1.87,445 2.902,446 1.247,447 2.702,448 1.247,449 3.594,450 2.227,451 1.247,452 1.792,454 2.902,455 1.215,456 2.064,457 0.842,458 3.481,459 1.618,460 0.636,461 0.882,463 1.618,464 0.622,465 1.846,466 0.698,467 3.094,468 1.376,469 0.386,470 0.544,472 0.929,473 0.375,474 15.067,475 0.502,476 0.62,477 0.021,478 47,479 1.567,480 28.5,481 0.95,482 18.5,483 0.617,484 21.403,485 0.713,486 27.533,487 0.586,488 35.587,489 1.186,490 9.155,491 0.305,492 5.654,493 0.188,494 0.022,496 0.358,501 0.582,502 0.861,503 0.663,504 0.73,505 0.546,506 0.719,507 0.565,508 0.992,509 0.809,510 0.87,511 0.602,512 0.873,513 0.923,514 1.035,515 0.955,516 0.966,517 0.792,518 0.855,519 1.462,520 1.102,521 1.107,522 1.079,523 1.299,524 0.928,525 2.132,526 1.035,527 0.931,528 0.964,529 2.179,530 0.889,531 2.151,532 0.852,533 0.919,534 0.798,535 2.277,536 0.934,537 0.843,538 0.867,539 0.927,540 0.897,541 0.9,542 1.023,543 0.281,544 1.07,545 1.148,546 1.171,547 0.272,548 1.209,549 3.5,551 3.111,552 2.375,553 2.64,554 1.056,555 0.813,556 0.34,557 0.163,558 0.09,559 10767,560 25775,561 2.268,562 36.2,564 17,572 1.74,573 2.195,574 3.037,575 -0.891,582 63.197,583 1.345,584 2.342,585 3.14,586 4.193,587 4.618,588 4.704,589 2.308,590 3.174,591 4.885,592 3.159,593 1374.23,594 8.583,595 17947.4,600 261.066,601 1.136,602 4.868,603 0.1,605 0.061,606 0.041,607 0.046,608 0.018,609 0.015,610 0.007,611 0.004,612 0.004,613 0.295,614 0.67,615 0.75,616 0.327,617 147.65,618 0.019,619 -0.012,620 0.066,621 0.044,622 -0.059,623 0.045,624 0.169,625 -0.09,626 0.019,627 -0.036,628 -0.031,629 -0.072,630 0.061,631 -0.033,632 0.081,633 0.011,634 0.02,635 0.058,636 -0.01,637 -0.082,638 -0.069,639 -0.107,640 0.082,641 -0.033,642 -0.079,643 -0.043,644 -0.053,645 -0.08,646 0.043,647 -0.034,648 -0.348,649 0.106,650 -0.147,651 0.045,652 -0.268,653 -0.062,654 -0.138,655 0.045,656 -0.054,657 0.029,658 -0.132,659 -0.058,660 0.011,661 -0.136,662 -0.081,663 -0.12,664 0.006,665 -0.157,666 1.664,667 7.27,668 0.933,669 20.16,670 0.991,671 1.084,672 5.525,673 30.528,674 0.77,675 3.584,676 3.951,677 4.344,678 4.727,679 5.081,680 5.22,681 5.451,682 5.638,683 5.784,684 5.808,685 5.338,686 0.726,687 403.52,688 3.584,689 5.153,690 6.057,691 6.978,692 7.902,693 8.833,694 9.764,695 10.699,696 11.633,697 12.569,698 2.1,705 1,714 4,715 17,720 5,722 28,730 1,741 47,743 29,744 5,745 35,747 52,748 27,749 26,750 9,751 17,756 6,757 12,772 27,777 1,782 1,786 1,793 17,794 2,796 3,797 1,802 1,808 0.333,809 1,829 6,833 4,859 2,860 1,862 1,868 30,879 1,881 1,893 2.1,896 1,901 13.667,902 8.7,903 6.444,904 2.879,907 5.873,908 1.671,909 1.104,910 3.984,911 14.63,912 3.932,913 4.62,914 5.327,915 6.032,916 6.715,917 7.101,918 7.641,919 8.147,920 8.591,921 8.846,922 1,923 58,924 11.115,926 4.947,927 0.026,929 7.55,931 21.59,933 18.757,936 2.05,937 61.5,941 200.109,942 220.113,943 3.124,945 25.145,947 32.22,948 187.893,949 225.254,950 3.124,952 3.124,953 161.096,954 29.85,955 22.092,957 232.328,959 200.109,960 191.018,961 25.145,962 32.22,964 200.109,965 25.145,968 3.124,969 187.893,971 32.22,972 200.109,973 28.269,974 220.113,977 200.109,978 59.017,979 164.221,981 25.145,982 200.109,983 28.269,984 220.113,986 0.583,987 0.363,988 0.224,989 0.135,990 29,991 11,992 0.019,993 1,994 4,995 1.286,996 3.979,997 313.354,998 0.286,999 28,1000 123.207,1001 1,1005 17.467,1006 6.843,1007 2.712,1008 4.115,1009 28.269,1010 34.715,1015 4.801,1018 448.491,1019 50,1024 14.27,1028 0.003,1031 46.574,1032 50.949,1034 0.242,1035 0.422,1036 0.565,1037 0.755,1038 0.831,1039 0.847,1040 5.17,1041 1.512,1042 6.047,1043 4.132,1044 4.635,1045 5.308,1046 3.058,1047 6.944,1048 4.585,1049 6.404,1050 1.347,1051 7.647,1052 3.329,1053 4.205,1054 5.121,1055 0.325,1056 7.999,1057 4.112,1058 7.735,1059 1.347,1060 9.356,1061 3.329,1062 6.29,1063 7.624,1064 5.05,1065 11.205,1066 6.184,1067 9.107,1068 1.333,1069 11.131,1070 3.219,1071 6.746,1072 8.315,1073 0.653,1074 13.122,1075 6.597,1076 10.514,1077 1.247,1078 12.949,1079 3.035,1080 8.271,1081 10.248,1082 7.188,1083 15.847,1084 8.109,1085 11.948,1086 1.247,1087 14.796,1088 2.902,1089 9.139,1090 11.369,1091 1.001,1092 18.106,1093 8.94,1094 13.403,1095 0.636,1096 16.664,1097 2.902,1098 10.446,1099 13.063,1100 9.348,1101 20.677,1102 10.232,1103 3.388,1104 0.386,1105 18.546,1106 1.618,1107 11.501,1108 14.398,1109 1.37,1110 23.077,1111 11.254,1112 3.16,1113 12.469,1114 20.44,1115 0.929,1116 12.729,1117 15.992,1118 11.511,1119 25.599,1120 12.465,1121 2.532,1122 11.293,1123 22.344,1124 4.762,1125 13.865,1126 17.433,1127 1.754,1128 28.059,1129 13.575,1130 2.532,1131 8.37,1132 24.255,1133 4.101,1134 15.069,1135 18.99,1136 13.675,1137 30.567,1138 14.761,1139 2.456,1140 8.37,1141 26.173,1142 3.798,1143 16.241,1144 20.485,1145 2.143,1146 33.053,1147 15.911,1148 2,1149 7.907,1150 28.095,1151 3.58,1152 17.44,1153 22.031,1154 15.838,1155 35.558,1156 17.091,1157 1.56,1158 6.458,1159 30.023,1160 3.278,1161 18.628,1162 23.553,1163 2.535,1164 38.056,1165 18.26,1166 9711,1167 15176,1168 24.561,1169 36.199,1170 53.777,1171 57.262,1172 54.838,1173 53.455,1174 53.368,1175 75.165,1176 8.886,1177 160.519,1178 52.102,1179 5.637,1180 6.609,1181 6.83,1182 5.528,1183 5.388,1184 7.762,1185 5.9,1186 20.176,1187 5.329,1188 6.335,1189 1.536,1190 1.636,1191 1.567,1192 1.527,1193 1.525,1194 2.148,1195 0.254,1196 4.586,1197 1.489,1198 4.187,1199 4.201,1200 4.189,1201 4.154,1202 7.428,1203 4.151,1204 3.997,1205 4.016,1206 4.094,1207 3.971,1208 4.952,1209 3.945,1210 3.758,1211 3.788,1212 3.686,1213 3.707,1214 4.804,1215 3.698,1216 3.758,1217 3.788,1218 3.686,1219 3.707,1220 4.615,1221 3.698,1222 3.396,1223 3.414,1224 3.393,1225 3.248,1226 4.615,1227 3.267,1228 3.172,1229 3.218,1230 3.267,1231 3.091,1232 4.009,1233 3.08,1234 3.025,1235 3.069,1236 3.064,1237 3.014,1238 3.922,1239 2.939,1240 2.945,1241 2.978,1242 2.915,1243 2.873,1244 3.806,1245 2.853,1246 0.136,1247 0.132,1248 0.204,1249 0.125,1250 0.097,1251 4.765,1252 0.136,1253 4.609,1254 0.084,1255 7.145,1256 0.356,1257 4.364,1258 0.095,1259 3.388,1260 4.762,1261 2.95,1262 12.469,1263 3.329,1264 2.16,1265 2.148,1266 2.22,1267 2.204,1268 1.397,1269 2.21,1270 1.971,1271 1.954,1272 2.025,1273 2.036,1274 1.191,1275 2.049,1276 1.772,1277 1.744,1278 1.902,1279 1.849,1280 0.978,1281 1.869,1282 1.772,1283 1.744,1284 1.902,1285 1.849,1286 0.978,1287 1.869,1288 1.322,1289 1.301,1290 1.437,1291 1.499,1292 0.52,1293 1.471,1294 1.188,1295 1.146,1296 1.373,1297 1.309,1298 0.456,1299 1.337,1300 1.017,1301 0.983,1302 1.19,1303 1.151,1304 0.313,1305 1.171,1306 0.946,1307 0.91,1308 1.109,1309 1.046,1310 0.257,1311 1.105,1312 4.263,1314 5.617,1316 7.203,1318 8.898,1320 10.65,1331 1.712,1333 1.884,1340 34.138,1341 63.197,1342 110.092,1343 147.579,1344 197.066,1345 217.066,1346 221.066,1347 38.246,1348 8.757,1349 22,1350 50.24,1351 36,1352 13.068,1353 4.907,1354 4,1355 37.259,1356 95,1357 82,1358 0.191,1359 206.341,1360 348.34,1361 495.233,1362 88497,1364 20.079,1365 0.669,1366 0.563,1367 20.432,1368 16.895,1369 14.81,1370 0.423,1371 0.307,1372 9.955,1373 14.207,1374 9.659,1375 7.972,1376 15.218,1377 10.736,1378 13.319,1379 0.261,1380 0.166,1381 13.961,1382 8.456,1383 12.274,1384 0.162,1385 0.089,1386 13.084,1387 6.751,1388 11.372,1389 0.102,1390 0.048,1391 12.278,1392 5.337,1393 10.367,1394 0.065,1395 0.026,1396 11.395,1397 4.168,1398 0.283,1399 94.018,1400 0.202,1401 27.072,1402 0.582,1403 172,1404 408.241,1405 202.918,1406 433.767,1407 622.85,1408 410,1409 213,1410 466.605,1411 243.096,1412 495.918,1413 742.46,1414 472,1415 8.456}
{0 CHEMBL393149,1 1.73,2 14,3 5.623,4 31.616,5 105.392,6 8.499,7 0.563,8 4.002,9 4.096,10 3.659,11 3.514,12 5.236,13 3.535,14 4.527,15 4.668,16 4.079,17 3.838,18 6.205,19 3.854,20 4.702,21 4.875,22 4.034,23 3.916,24 5.947,25 3.916,26 4.785,27 4.979,28 3.967,29 3.828,30 6.172,31 3.837,32 4.64,33 4.831,34 3.872,35 3.817,36 5.915,37 3.804,38 4.615,39 4.786,40 3.825,41 3.863,42 5.916,43 3.805,44 4.651,45 4.879,46 3.669,47 3.832,48 5.744,49 3.725,50 4.527,51 4.764,52 3.634,53 3.655,54 5.692,55 3.592,56 0.181,57 0.872,58 7.439,59 4.667,60 24.877,61 4.939,62 1.05,63 1.685,64 16.741,65 7.284,66 139.789,67 8.071,68 0.625,69 1.46,70 21.313,71 8.92,72 53.456,73 10.239,74 1.181,75 1.553,76 27.302,77 8.896,78 129.904,79 9.559,80 0.833,81 1.278,82 22.305,83 8.061,84 94.305,85 9.238,86 0.876,87 1.151,88 19.782,89 8.365,90 76.067,91 10.025,92 0.687,93 1.193,94 23.445,95 9.547,96 69.778,97 12.599,98 0.539,99 1.183,100 21.472,101 8.319,102 56.431,103 10.696,104 30,105 44,106 0.292,107 0.563,108 0.702,109 0.799,110 0.831,111 0.845,112 3.439,113 0.859,114 -5.52,115 -5.39,116 -5.03,121 44.9,122 1,127 2,134 1,144 11,145 2,146 2,147 1,149 1,161 1,176 10,179 4,180 9,187 9,192 8,200 5,206 13,214 3,218 1,219 11,227 6,232 4,239 10,243 3,244 3,251 11,256 1,264 8,268 2,269 5,277 6,281 1548,282 19.858,283 19.858,284 19.858,285 19.858,286 19.858,287 17.568,288 23.597,289 11.744,290 20.54,291 15.745,292 15.745,293 15.745,294 15.745,295 15.745,296 12.361,297 27.767,298 5.536,299 16.91,300 3.884,301 2.275,302 1.45,303 0.878,304 0.684,305 0.602,306 4.119,312 1,313 882,314 4.301,318 358.947,325 2.333,326 47.187,329 0.75,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.84,337 68.5,338 420,339 4.44,340 4.46,341 7.111,342 4.168,343 3.314,344 3.846,345 3.825,346 11.657,347 2.856,348 4.123,349 3.792,350 6.077,351 3.8,352 2.865,353 3.656,354 2.209,355 8.806,356 2.677,357 3.998,358 3.074,359 5.615,360 3.627,361 2.694,362 3.468,363 0.86,364 7.783,365 2.529,366 3.839,367 2.815,368 5.379,369 3.43,370 2.481,371 3.193,372 0.796,373 7.1,374 2.344,375 3.716,376 2.648,377 5.235,378 3.291,379 2.333,380 3.031,381 0.247,382 6.564,383 2.183,384 3.366,385 2.323,386 4.974,387 2.964,388 2.034,389 2.626,391 5.901,392 1.874,393 2.926,394 2.1,395 4.556,396 2.497,397 1.57,398 2.079,400 4.607,401 1.479,402 2.896,403 1.909,404 4.021,405 2.458,406 1.483,407 2.011,409 3.388,410 1.377,411 2.518,412 1.499,413 3.558,414 2.194,415 1.222,416 1.5,418 2.819,419 1.17,420 2.5,421 1,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.5,439 1,440 3.247,441 1.959,442 1,443 1.457,445 2.136,446 0.956,447 1.55,448 0.911,449 3.045,450 1.299,451 0.344,452 0.375,454 0.684,455 0.325,456 1.407,457 0.522,458 2.761,459 1.162,460 0.239,461 0.284,463 0.487,464 0.218,465 1.128,466 0.51,467 2.71,468 0.726,469 -0.197,470 -0.243,472 -0.499,473 -0.18,474 13.657,475 0.455,476 0.825,477 0.028,478 39.75,479 1.325,480 20.5,481 0.683,482 19.25,483 0.642,484 21.92,485 0.731,486 33.143,487 0.676,488 32.984,489 1.099,490 8.335,491 0.278,492 6.012,493 0.2,494 0.124,495 0.037,496 0.249,498 3,501 0.63,502 1.032,503 0.631,504 1.137,505 0.591,506 0.964,507 0.477,508 0.745,509 0.712,510 0.974,511 0.371,512 0.952,513 0.833,514 0.965,515 0.853,516 1.135,517 0.578,518 1.044,519 1.292,520 0.846,521 1.158,522 0.887,523 1.157,524 0.945,525 0.947,526 0.741,527 0.971,528 0.843,529 0.948,530 0.889,531 0.528,532 0.629,533 0.994,534 1.069,535 0.563,536 1.191,537 0.401,538 0.659,539 0.826,540 1.046,541 0.421,542 1.118,543 0.625,544 0.895,545 0.719,546 1.032,547 0.555,548 0.965,549 7.5,550 0.165,551 3.111,552 1.688,553 1.556,554 0.771,555 0.587,556 0.516,557 0.218,558 0.222,559 13222,560 47582,561 2.004,562 38.8,564 15,566 1,569 3,572 1.721,573 1.865,574 3.74,575 -0.726,582 84.793,583 1.73,584 3.34,585 4.164,586 4.737,587 4.931,588 5.012,589 3.273,590 4.257,591 4.877,592 3.972,593 1727.66,594 8.469,595 25864.9,600 275.121,601 1.549,602 4.824,603 0.234,604 0.008,605 0.071,606 0.039,607 0.041,608 0.021,609 0.017,610 0.018,611 0.008,612 0.009,613 0.465,614 0.33,615 0.88,616 0.855,617 158.873,618 -0.033,619 -0.126,620 0.037,621 -0.11,622 -0.088,623 -0.036,624 0.421,625 0.274,626 0.13,627 0.004,628 0.439,629 -0.043,630 -0.07,631 -0.19,632 0.033,633 -0.174,634 0.021,635 -0.07,636 -0.174,637 0.064,638 -0.133,639 0.044,640 -0.107,641 -0.012,642 -0.107,643 0.026,644 -0.032,645 0.098,646 -0.103,647 0.082,648 0.149,649 0.051,650 -0.133,651 -0.102,652 0.044,653 -0.198,654 0.158,655 -0.046,656 0.114,657 -0.057,658 0.076,659 -0.02,660 0.058,661 -0.165,662 0.276,663 -0.04,664 0.084,665 0.131,666 5.704,667 5.407,668 0.6,669 35.707,670 1.032,671 1.139,672 4.288,673 18.389,674 0.669,675 3.497,676 3.807,677 3.97,678 4.127,679 4.317,680 4.29,681 4.369,682 4.443,683 4.443,684 4.466,685 8.306,686 0.665,687 416.43,688 3.497,689 5.03,690 5.844,691 6.701,692 7.529,693 8.385,694 9.218,695 10.074,696 10.91,697 11.765,698 4.1,705 1,708 1,715 12,716 1,720 5,722 18,737 1,739 1,741 49,743 19,744 2,745 32,747 51,748 22,749 17,750 3,751 9,756 3,757 3,763 2,769 1,772 18,773 4,777 1,782 1,786 1,791 3,793 19,794 8,796 8,802 2,808 1,809 3,822 1,829 3,859 3,864 1,866 3,868 30,876 2,878 2,881 1,882 1,892 3,893 6.1,896 1,898 2,901 16.083,902 9.079,903 6.611,904 2.897,907 2.984,908 1.411,909 0.961,910 6.962,911 10.247,912 3.761,913 4.311,914 4.773,915 5.249,916 5.764,917 5.765,918 6.064,919 6.377,920 6.629,921 6.913,922 1,923 43,924 11.507,926 5.251,927 0.026,929 8.275,931 20.16,933 15.788,936 2.775,937 83.25,941 223.651,942 162.517,943 19.91,945 47.145,946 44.88,948 162.517,949 270.796,950 64.79,951 8.825,952 7.336,953 104.239,954 53.702,955 92.786,956 11.577,957 211.88,958 7.76,959 223.651,960 182.427,961 92.025,964 188.338,965 127.338,968 32.968,969 132.674,970 16.786,972 268.531,973 67.055,974 162.517,977 231.41,978 32.647,979 125.236,981 108.811,982 223.651,983 111.935,984 162.517,986 0.582,987 0.322,988 0.158,989 0.085,990 19,991 9,992 0.137,993 7,995 1,996 4.222,997 245.174,999 18,1000 134.452,1005 21.665,1006 9.641,1007 6.228,1009 111.935,1010 18.446,1011 3.651,1015 0.822,1018 498.103,1019 42,1024 12.407,1028 -0.487,1031 50.56,1032 55.796,1034 0.308,1035 0.595,1036 0.742,1037 0.844,1038 0.878,1039 0.893,1040 4.987,1041 1.483,1042 5.849,1043 4.607,1044 4.489,1045 4.997,1046 3.467,1047 6.635,1048 4.348,1049 6.19,1050 1.222,1051 7.404,1052 3.388,1053 4.205,1054 4.705,1055 4.006,1056 7.719,1057 3.858,1058 7.487,1059 1,1060 9.07,1061 2.819,1062 6.116,1063 7.093,1064 5.563,1065 10.664,1066 5.796,1067 8.816,1068 1,1069 10.805,1070 2.275,1071 6.621,1072 7.51,1073 6.736,1074 12.577,1075 6.065,1076 10.173,1077 1,1078 12.587,1079 2.275,1080 8.053,1081 9.428,1082 8.102,1083 15.134,1084 7.502,1085 11.548,1086 0.344,1087 14.404,1088 2.136,1089 8.91,1090 10.184,1091 9.406,1092 17.375,1093 8.127,1094 12.939,1095 0.239,1096 16.247,1097 0.684,1098 10.164,1099 11.875,1100 10.748,1101 19.838,1102 9.342,1103 3.314,1104 -0.197,1105 18.111,1106 0.487,1107 11.187,1108 12.827,1109 12.081,1110 22.208,1111 10.15,1112 2.865,1113 11.657,1114 19.992,1115 -0.499,1116 12.377,1117 14.386,1118 13.421,1119 24.653,1120 11.259,1121 2.694,1122 8.806,1123 21.888,1124 3.846,1125 13.48,1126 15.462,1127 14.76,1128 27.073,1129 12.165,1130 2.481,1131 7.783,1132 23.795,1133 3.656,1134 14.653,1135 16.937,1136 16.101,1137 29.519,1138 13.225,1139 2.333,1140 7.1,1141 25.712,1142 3.468,1143 15.795,1144 18.097,1145 17.442,1146 31.959,1147 14.183,1148 2.034,1149 6.564,1150 27.637,1151 3.193,1152 16.967,1153 19.518,1154 18.783,1155 34.408,1156 15.221,1157 1.57,1158 5.901,1159 29.569,1160 3.031,1161 18.131,1162 20.735,1163 20.125,1164 36.856,1165 16.21,1166 12892,1167 24838,1168 20.86,1169 32.801,1170 47.808,1171 47.279,1172 47.818,1173 47.447,1174 47.156,1175 61.049,1176 15.876,1177 132.964,1178 43.98,1179 5.336,1180 6.46,1181 6.913,1182 5.271,1183 5.314,1184 6.846,1185 5.529,1186 18.535,1187 4.856,1188 16.683,1189 1.494,1190 1.477,1191 1.494,1192 1.483,1193 1.474,1194 1.908,1195 0.496,1196 4.155,1197 1.374,1198 3.973,1199 3.999,1200 3.928,1201 3.872,1202 8.513,1203 3.875,1204 3.908,1205 3.94,1206 3.846,1207 3.825,1208 7.999,1209 3.827,1210 3.838,1211 3.864,1212 3.793,1213 3.736,1214 7.999,1215 3.745,1216 3.619,1217 3.679,1218 3.527,1219 3.406,1220 7.433,1221 3.42,1222 3.318,1223 3.352,1224 3.335,1225 3.016,1226 5.004,1227 3.068,1228 3.217,1229 3.275,1230 3.074,1231 2.985,1232 4.772,1233 2.989,1234 3.052,1235 3.079,1236 2.912,1237 2.83,1238 4.746,1239 2.869,1240 2.854,1241 2.925,1242 2.757,1243 2.735,1244 4.338,1245 2.715,1246 0.139,1247 0.139,1248 0.222,1249 0.13,1250 0.104,1251 4.44,1252 0.12,1253 4.46,1254 0.12,1255 7.111,1256 0.364,1257 4.168,1258 0.089,1259 3.314,1260 3.846,1261 3.825,1262 11.657,1263 2.856,1264 1.915,1265 1.886,1266 2.045,1267 2.029,1268 1.186,1269 2.029,1270 1.882,1271 1.863,1272 1.978,1273 2.003,1274 1.044,1275 1.996,1276 1.799,1277 1.772,1278 1.893,1279 1.924,1280 0.99,1281 1.915,1282 1.569,1283 1.5,1284 1.835,1285 1.796,1286 0.958,1287 1.808,1288 1.186,1289 1.123,1290 1.473,1291 1.459,1292 0.64,1293 1.452,1294 1.075,1295 1.052,1296 1.181,1297 1.411,1298 0.221,1299 1.315,1300 0.938,1301 0.925,1302 1.181,1303 1.223,1304 0.218,1305 1.183,1306 0.886,1307 0.821,1308 1.164,1309 1.062,1310 0.218,1311 1.107,1312 4.174,1314 5.485,1316 6.978,1318 8.544,1320 10.144,1322 1.859,1324 37.722,1328 0.908,1330 10.813,1333 1.561,1334 -4.454,1340 32.605,1341 84.793,1342 163.641,1343 204.047,1344 232.101,1345 241.611,1346 245.611,1347 69.6,1348 7.263,1349 51.66,1350 51.66,1351 18,1352 12.323,1353 4.322,1354 3.459,1355 55.783,1356 152,1357 126,1358 0.178,1359 199.52,1360 359.56,1361 478.588,1362 14836,1363 6.1,1364 21.562,1365 0.719,1366 0.537,1367 19.062,1368 16.095,1369 14.347,1370 0.448,1371 0.286,1372 8.977,1373 13.571,1374 8.83,1375 7.321,1376 13.135,1377 9.168,1378 13.327,1379 0.303,1380 0.144,1381 11.369,1382 6.324,1383 10.1,1384 0.194,1385 0.08,1386 9.163,1387 4.171,1388 7.809,1389 0.128,1390 0.042,1391 7.11,1392 2.579,1393 6.123,1394 0.083,1395 0.023,1396 5.859,1397 1.67,1398 0.291,1399 91.57,1400 0.219,1401 29.195,1402 0.455,1403 152,1404 690.83,1405 184.224,1406 576.368,1407 750.09,1408 534,1409 172,1410 527.464,1411 196.939,1412 508.609,1413 758.58,1414 476,1415 4.301}
{0 CHEMBL393212,1 1.281,2 12.111,3 4.447,4 19.778,5 145.64,6 5.8,8 4.505,9 4.644,10 3.859,11 4.021,12 5.344,13 3.946,14 5.182,15 5.392,16 4.341,17 4.55,18 5.897,19 4.454,20 5.595,21 5.802,22 4.631,23 4.919,24 6.367,25 4.799,26 5.944,27 6.2,28 4.659,29 5.086,30 6.694,31 4.915,32 6.042,33 6.335,34 4.58,35 5.058,36 6.787,37 4.867,38 5.94,39 6.237,40 4.381,41 4.94,42 6.701,43 4.726,44 5.786,45 6.098,46 4.269,47 4.794,48 6.47,49 4.582,50 5.627,51 5.911,52 4.149,53 4.668,54 6.395,55 4.461,56 0.103,57 1.195,58 22.255,59 9.367,60 13.473,61 13.25,62 0.336,63 2.123,64 42.287,65 16.677,66 24.263,67 24.053,68 0.423,69 3.133,70 63.739,71 25.184,72 46.986,73 36.203,74 0.762,75 3.951,76 87.291,77 32.356,78 83.233,79 47.365,80 0.93,81 3.97,82 93.859,83 33.24,84 109.786,85 48.987,86 0.991,87 3.545,88 84.169,89 30.212,90 127.239,91 44.455,92 0.601,93 3.047,94 70.728,95 26.266,96 79.874,97 38.702,98 0.696,99 2.686,100 62.03,101 22.527,102 88.81,103 33.241,104 109,105 65,106 0.196,107 0.432,108 0.724,109 0.847,110 0.872,111 0.872,112 3.617,113 1.098,114 -5.69,115 -5.56,116 -5.19,121 36,122 6,123 7,124 5,125 3,126 2,127 1,129 3,137 1,138 1,158 1,160 1,176 21,179 1,180 9,185 2,187 33,192 13,197 2,200 36,206 16,209 1,211 5,214 29,219 12,224 2,227 28,231 1,232 9,235 1,237 2,239 26,244 5,249 2,251 22,255 2,256 10,261 2,264 14,269 6,274 2,277 9,281 2004,282 23.221,283 23.221,284 23.221,285 23.221,286 23.221,287 22.624,288 29.795,289 12.503,290 23.496,291 19.506,292 19.506,293 19.506,294 19.506,295 19.506,296 18.478,297 42.01,298 5.67,299 19.947,300 5.146,301 3.603,302 1.693,303 0.887,304 0.721,305 0.721,306 4.309,312 1,313 940,314 4.848,317 53.94,318 178.638,319 57.302,321 89.391,322 103.944,323 192.647,325 1.802,326 40.031,329 0.75,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.94,337 76,338 436,339 4.997,340 4.086,341 8.709,342 4.991,343 3.992,344 4.009,345 2.178,346 17.648,347 3.987,348 4.657,349 3.777,350 7.869,351 4.606,352 3.616,353 3.753,354 1.835,355 14.628,356 3.583,357 4.071,358 3.621,359 7.037,360 3.997,361 3.008,362 3.255,363 0.8,364 11.42,365 2.982,366 3.964,367 3.332,368 6.351,369 3.717,370 2.76,371 3.086,372 0.68,373 9.214,374 2.672,375 3.779,376 3.05,377 6.096,378 3.647,379 2.661,380 2.846,381 0.413,382 8.639,383 2.598,384 3.61,385 2.809,386 6.013,387 3.4,388 2.405,389 2.756,391 8.053,392 2.389,393 3.433,394 2.572,395 5.89,396 3.309,397 2.316,398 2.443,400 7.807,401 2.29,402 3.09,403 2.379,404 5.369,405 3.026,406 2.083,407 2.09,409 6.088,410 1.953,411 3.007,412 2.196,413 5.13,414 2.904,415 1.925,416 2.007,418 5.638,419 1.883,420 2.643,421 1.898,422 4.873,423 2.525,424 1.529,425 1.614,427 4.504,428 1.519,429 2.543,430 1.828,431 4.339,432 2.362,433 1.445,434 1.515,436 3.629,437 1.313,438 2.403,439 1.591,440 4.156,441 2.286,442 1.283,443 1.368,445 3.516,446 1.281,447 2.007,448 1.343,449 3.951,450 1.904,451 0.938,452 0.962,454 2.305,455 0.901,456 1.95,457 1.222,458 3.839,459 1.771,460 0.821,461 0.889,463 2.102,464 0.774,465 1.377,466 0.652,467 3.446,468 1.273,469 0.301,470 0.306,472 0.604,473 0.291,474 17.3,475 0.481,476 1.475,477 0.041,478 26.25,479 0.729,480 4,481 0.111,482 22.25,483 0.618,484 66.117,485 1.837,486 43.3,487 0.503,488 16.973,489 0.471,490 3.199,491 0.089,492 13.669,493 0.38,494 0.27,495 0.087,496 0.341,501 0.804,502 1.432,503 1.056,504 1.317,505 0.802,506 1.227,507 0.862,508 1.017,509 0.919,510 0.975,511 0.65,512 0.949,513 0.985,514 1.276,515 1.124,516 1.245,517 0.985,518 1.203,519 1.078,520 1.196,521 1.152,522 1.201,523 0.918,524 1.185,525 1.273,526 0.945,527 1.018,528 0.956,529 1.341,530 0.962,531 1.171,532 0.957,533 1.059,534 0.982,535 1.39,536 1.009,537 0.859,538 0.888,539 0.868,540 0.898,541 1.043,542 0.888,543 0.988,544 1.119,545 1.084,546 1.116,547 1.286,548 1.114,549 11,550 0.355,551 8.667,552 5.736,553 4.178,554 2.442,555 1.472,556 1.023,557 0.554,558 0.49,559 16405,560 27634,561 2.001,562 58.1,563 25,564 12,567 1,568 4,569 7,570 1,572 1.778,573 1.778,574 3.493,575 -0.465,582 110.131,583 1.281,584 2.823,585 4.733,586 5.539,587 5.705,588 5.705,589 3.04,590 4.517,591 5.136,592 3.653,593 2301.25,594 9.054,595 33354.3,600 552.659,601 1.863,602 5.034,603 0.275,604 0.012,605 0.133,606 0.069,607 0.054,608 0.034,609 0.026,610 0.019,611 0.013,612 0.014,613 0.649,614 0.17,615 0.63,616 1.12,617 190.76,618 0.007,619 -0.062,620 0.068,621 0.01,622 -0.074,623 0.038,624 0.033,625 0.203,626 0.153,627 0.191,628 0.012,629 0.186,630 -0.047,631 -0.075,632 -0.055,633 -0.072,634 -0.054,635 -0.065,636 -0.042,637 -0.126,638 -0.125,639 -0.148,640 -0.009,641 -0.144,642 -0.075,643 0.014,644 -0.016,645 0.007,646 -0.046,647 0.003,648 -0.022,649 -0.01,650 -0.068,651 -0.02,652 -0.014,653 -0.046,654 0.005,655 0.041,656 0.082,657 0.061,658 0.002,659 0.077,660 0.047,661 -0.133,662 -0.091,663 -0.122,664 -0.006,665 -0.122,666 1.685,667 6.935,668 0.611,669 36.241,670 0.981,671 1.135,672 4.465,673 19.936,674 0.612,675 3.714,676 4.19,677 4.585,678 4.92,679 5.226,680 5.442,681 5.673,682 5.892,683 6.082,684 6.295,685 6.769,686 0.556,687 498.83,688 3.714,689 5.352,690 6.282,691 7.248,692 8.202,693 9.173,694 10.137,695 11.111,696 12.081,697 13.057,698 2.3,701 1,707 1,741 86,743 3,745 40,747 90,748 31,756 5,757 15,763 6,764 3,766 3,767 8,768 4,770 10,772 4,773 27,774 5,777 3,782 1,784 1,785 1,786 3,793 50,794 5,795 1,796 5,802 2,808 0.2,809 3,811 1,828 1,829 3,830 1,832 1,833 1,834 2,841 1,849 1,850 1,855 1,857 1,858 1,859 1,864 8,868 36,875 1,876 8,878 1,880 8,881 1,882 3,893 3.5,894 1,896 1,898 1,901 20.25,902 17.433,903 7.549,904 5.838,907 0.791,908 1.086,909 0.879,910 6.663,911 9.939,912 3.784,913 4.304,914 4.736,915 5.13,916 5.509,917 5.768,918 6.05,919 6.33,920 6.59,921 6.827,922 1,923 83,924 13.644,926 6.161,927 0.026,929 7.47,931 27.436,933 25.407,936 1.97,937 70.917,941 576.784,942 114.688,943 19.91,945 78.828,948 114.688,949 655.612,950 19.91,951 69.744,952 22.334,953 52.16,954 35.093,955 34.095,957 576.784,959 576.784,960 134.598,961 78.828,964 482.615,965 130.314,966 42.683,968 95.195,969 29.926,970 9.476,972 576.784,973 98.738,974 114.688,977 576.784,978 35.468,979 82.345,981 95.614,982 576.784,983 98.738,984 114.688,986 0.62,987 0.394,988 0.207,989 0.115,990 36,991 18,992 0.044,993 4,994 4,995 1.364,996 4.099,997 398.129,998 0.364,999 22,1000 182.117,1005 26.576,1006 9.026,1007 3.774,1009 98.738,1017 42.683,1018 790.21,1019 43,1024 13.935,1026 2.451,1027 5.152,1028 2.874,1031 84.392,1032 97.59,1034 0.199,1035 0.439,1036 0.737,1037 0.862,1038 0.888,1039 0.888,1040 5.193,1041 2.083,1042 6.395,1043 7.807,1044 4.875,1045 4.99,1046 2.802,1047 7.442,1048 4.839,1049 6.43,1050 1.925,1051 8.127,1052 6.088,1053 4.977,1054 5.094,1055 2.416,1056 9.081,1057 4.945,1058 7.813,1059 1.529,1060 9.981,1061 5.638,1062 6.779,1063 6.987,1064 3.802,1065 12.283,1066 6.73,1067 9.228,1068 1.445,1069 11.912,1070 4.504,1071 7.66,1072 7.832,1073 4.075,1074 14.739,1075 7.62,1076 10.681,1077 1.283,1078 13.895,1079 3.629,1080 9.089,1081 9.332,1082 5.099,1083 17.642,1084 9.041,1085 12.16,1086 0.938,1087 15.916,1088 3.516,1089 10.267,1090 10.47,1091 5.633,1092 20.364,1093 10.225,1094 13.661,1095 0.821,1096 17.965,1097 2.305,1098 11.615,1099 11.857,1100 6.51,1101 23.214,1102 11.57,1103 3.992,1104 0.301,1105 20.036,1106 2.102,1107 12.902,1108 13.116,1109 7.163,1110 26.02,1111 12.861,1112 3.616,1113 17.648,1114 22.123,1115 0.604,1116 14.243,1117 14.474,1118 7.977,1119 28.866,1120 14.201,1121 3.008,1122 14.628,1123 24.224,1124 4.009,1125 15.573,1126 15.788,1127 8.688,1128 31.703,1129 15.532,1130 2.76,1131 11.42,1132 26.335,1133 3.753,1134 16.922,1135 17.143,1136 9.475,1137 34.554,1138 16.88,1139 2.661,1140 9.214,1141 28.455,1142 3.255,1143 18.271,1144 18.483,1145 10.215,1146 37.405,1147 18.229,1148 2.405,1149 8.639,1150 30.581,1151 3.086,1152 19.627,1153 19.841,1154 10.993,1155 40.261,1156 19.585,1157 2.316,1158 8.053,1159 32.713,1160 2.846,1161 20.986,1162 21.195,1163 11.748,1164 43.119,1165 20.944,1166 15855,1167 20614,1168 24.967,1169 52.648,1170 63.157,1171 64.766,1172 68.729,1173 62.504,1174 62.503,1175 66.157,1176 11.813,1177 212.371,1178 61.167,1179 5.997,1180 6.072,1181 8.253,1182 6.101,1183 5.992,1184 6.54,1185 3.677,1186 27.457,1187 5.987,1188 24.942,1189 1.579,1190 1.619,1191 1.718,1192 1.563,1193 1.563,1194 1.654,1195 0.295,1196 5.309,1197 1.529,1198 4.134,1199 4.168,1200 4.052,1201 4.054,1202 7.426,1203 4.049,1204 3.974,1205 4.01,1206 3.897,1207 3.88,1208 6.449,1209 3.878,1210 3.762,1211 3.816,1212 3.654,1213 3.628,1214 4.86,1215 3.625,1216 3.664,1217 3.732,1218 3.532,1219 3.524,1220 4.469,1221 3.516,1222 3.536,1223 3.601,1224 3.394,1225 3.367,1226 4.368,1227 3.363,1228 3.445,1229 3.504,1230 3.296,1231 3.302,1232 4.246,1233 3.289,1234 3.372,1235 3.424,1236 3.23,1237 3.215,1238 4.125,1239 3.212,1240 3.244,1241 3.334,1242 3.05,1243 3.063,1244 3.964,1245 3.048,1246 0.125,1247 0.102,1248 0.218,1249 0.125,1250 0.1,1251 4.997,1252 0.1,1253 4.086,1254 0.054,1255 8.709,1256 0.441,1257 4.991,1258 0.1,1259 3.992,1260 4.009,1261 2.178,1262 17.648,1263 3.987,1264 1.984,1265 1.953,1266 2.124,1267 2.102,1268 1.573,1269 2.11,1270 1.963,1271 1.931,1272 2.115,1273 2.072,1274 1.522,1275 2.087,1276 1.757,1277 1.705,1278 1.966,1279 1.939,1280 1.337,1281 1.951,1282 1.724,1283 1.669,1284 1.962,1285 1.882,1286 1.24,1287 1.912,1288 1.507,1289 1.456,1290 1.762,1291 1.708,1292 1.085,1293 1.726,1294 1.481,1295 1.407,1296 1.747,1297 1.666,1298 1.035,1299 1.697,1300 1.431,1301 1.363,1302 1.707,1303 1.638,1304 0.932,1305 1.665,1306 1.295,1307 1.233,1308 1.604,1309 1.504,1310 0.832,1311 1.536,1312 4.394,1314 5.832,1315 2.398,1316 7.477,1317 5.13,1318 9.226,1319 7.516,1320 11.033,1322 17.988,1327 11.427,1328 7.23,1330 6.333,1332 1.5,1333 2.228,1334 -0.202,1340 47.83,1341 110.131,1342 242.806,1343 407.071,1344 476.355,1345 490.62,1346 490.62,1347 101.871,1348 9.148,1349 62.13,1350 62.13,1351 30,1352 13.531,1353 2,1354 2,1355 54.353,1356 149,1357 176,1358 0.189,1359 287.961,1360 523.51,1361 694.385,1362 123803,1364 26.206,1365 0.728,1366 0.667,1367 26.206,1368 24.011,1369 16.869,1370 0.422,1371 0.366,1372 14.517,1373 16.438,1374 13.797,1375 11.447,1376 16.869,1377 14.636,1378 16.977,1379 0.261,1380 0.217,1381 16.977,1382 14.128,1383 15.518,1384 0.16,1385 0.127,1386 15.518,1387 12.36,1388 13.064,1389 0.096,1390 0.07,1391 13.064,1392 9.539,1393 10.875,1394 0.059,1395 0.04,1396 10.875,1397 7.392,1398 0.289,1399 104.429,1400 0.2,1401 31.885,1402 0.545,1403 210,1404 402.911,1405 221.663,1406 388.07,1407 536.3,1408 364,1409 267,1410 395.589,1411 279.968,1412 406.966,1413 608.02,1414 380,1415 6.577}
{0 CHEMBL393621,1 1.29,2 11.429,3 3.991,4 15.928,5 141.039,6 5.841,8 4.473,9 4.61,10 3.834,11 3.989,12 5.318,13 3.916,14 5.149,15 5.359,16 4.323,17 4.521,18 5.873,19 4.429,20 5.564,21 5.766,22 4.61,23 4.893,24 6.349,25 4.775,26 5.921,27 6.179,28 4.629,29 5.06,30 6.666,31 4.89,32 6.006,33 6.296,34 4.554,35 5.034,36 6.754,37 4.842,38 5.924,39 6.225,40 4.348,41 4.91,42 6.688,43 4.694,44 5.742,45 6.054,46 4.219,47 4.744,48 6.438,49 4.532,50 5.575,51 5.862,52 4.101,53 4.603,54 6.348,55 4.399,56 0.098,57 1.156,58 21.451,59 9.022,60 13.399,61 12.75,62 0.33,63 2.06,64 40.924,65 16.098,66 24.598,67 23.206,68 0.409,69 3.05,70 61.848,71 24.425,72 48.921,73 35.068,74 0.767,75 3.85,76 85.317,77 31.548,78 81.741,79 46.167,80 0.86,81 3.859,82 90.708,83 32.575,84 106.087,85 47.852,86 0.997,87 3.46,88 82.952,89 29.504,90 129.624,91 43.508,92 0.59,93 2.909,94 68.029,95 25.042,96 80.269,97 36.954,98 0.687,99 2.529,100 59.009,101 21.133,102 87.337,103 31.262,104 106,105 64,106 0.199,107 0.439,108 0.724,109 0.829,110 0.856,111 0.856,112 3.59,113 1.084,114 -5.5,115 -5.38,116 -5.02,121 36.1,122 6,123 6,124 5,125 3,126 2,127 1,129 3,137 1,138 1,158 1,160 1,176 20,179 1,180 9,185 2,187 32,192 13,197 2,200 35,206 14,209 1,211 5,214 29,219 12,224 2,227 28,231 1,232 9,235 1,237 2,239 24,244 5,249 2,251 19,255 2,256 10,261 2,264 12,269 6,274 2,277 7,281 1853,282 22.351,283 22.351,284 22.351,285 22.351,286 22.351,287 21.754,288 29.795,289 12.001,290 22.626,291 19.086,292 19.086,293 19.086,294 19.086,295 19.086,296 18.051,297 42.01,298 5.515,299 19.529,300 5.085,301 3.525,302 1.676,303 0.992,304 0.82,305 0.82,306 4.282,312 1,313 865,314 4.743,317 51.027,318 171.587,319 54.459,321 84.4,322 100.593,323 183.611,325 1.69,326 39.334,329 0.75,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.94,337 74,338 400,339 4.997,340 4.086,341 8.709,342 4.991,343 3.992,344 4.009,345 2.178,346 17.648,347 3.987,348 4.657,349 3.776,350 7.869,351 4.606,352 3.615,353 3.752,354 1.835,355 14.628,356 3.583,357 4.068,358 3.62,359 7.037,360 3.997,361 3.007,362 3.244,363 0.8,364 11.42,365 2.982,366 3.946,367 3.316,368 6.351,369 3.697,370 2.731,371 3.08,372 0.68,373 9.209,374 2.669,375 3.777,376 3.049,377 6.07,378 3.618,379 2.645,380 2.844,381 0.413,382 8.415,383 2.545,384 3.605,385 2.805,386 5.994,387 3.399,388 2.404,389 2.753,391 8.046,392 2.383,393 3.433,394 2.571,395 5.837,396 3.301,397 2.308,398 2.443,400 7.698,401 2.284,402 3.09,403 2.379,404 5.369,405 3.026,406 2.083,407 2.09,409 6.087,410 1.953,411 2.981,412 2.192,413 5.122,414 2.894,415 1.915,416 1.981,418 5.593,419 1.873,420 2.619,421 1.876,422 4.872,423 2.522,424 1.527,425 1.593,427 4.502,428 1.515,429 2.409,430 1.76,431 4.339,432 2.296,433 1.322,434 1.373,436 3.623,437 1.286,438 2.389,439 1.538,440 3.967,441 2.18,442 1.24,443 1.342,445 2.973,446 1.149,447 2.007,448 1.331,449 3.839,450 1.904,451 0.937,452 0.962,454 2.304,455 0.9,456 1.95,457 1.221,458 3.836,459 1.767,460 0.813,461 0.886,463 2.093,464 0.77,465 1.362,466 0.642,467 3.436,468 1.154,469 0.183,470 0.198,472 0.516,473 0.176,474 16.8,475 0.48,476 1.513,477 0.043,478 25.75,479 0.736,480 4,481 0.114,482 21.75,483 0.621,484 63.605,485 1.817,486 42,487 0.506,488 16.712,489 0.477,490 3.199,491 0.091,492 13.131,493 0.375,494 0.278,495 0.089,496 0.351,501 0.801,502 1.43,503 1.045,504 1.312,505 0.802,506 1.219,507 0.86,508 1.002,509 0.904,510 0.958,511 0.644,512 0.932,513 0.987,514 1.3,515 1.143,516 1.27,517 0.985,518 1.227,519 1.079,520 1.157,521 1.144,522 1.172,523 0.912,524 1.164,525 1.169,526 0.983,527 1.015,528 0.998,529 1.308,530 0.994,531 1.15,532 0.931,533 1.036,534 0.957,535 1.363,536 0.985,537 0.869,538 0.895,539 0.875,540 0.906,541 1.062,542 0.895,543 1,544 1.087,545 1.057,546 1.08,547 1.296,548 1.078,549 11,550 0.335,551 8.444,552 5.736,553 4.178,554 2.414,555 1.391,556 1.007,557 0.534,558 0.49,559 15062,560 25907,561 2.001,562 57.8,563 23,564 12,567 1,568 4,569 7,570 1,572 1.772,573 1.772,574 3.426,575 -0.458,582 107.088,583 1.29,584 2.85,585 4.699,586 5.383,587 5.555,588 5.555,589 2.889,590 5.015,591 5.097,592 3.587,593 2134.27,594 8.978,595 30156,600 529.128,601 1.866,602 4.99,603 0.282,604 0.012,605 0.132,606 0.071,607 0.055,608 0.035,609 0.026,610 0.02,611 0.013,612 0.015,613 0.66,614 0.33,615 0.63,616 1.045,617 183.247,618 0.005,619 -0.064,620 0.069,621 0.011,622 -0.077,623 0.039,624 0.031,625 0.217,626 0.163,627 0.206,628 0.016,629 0.201,630 -0.054,631 -0.094,632 -0.077,633 -0.094,634 -0.057,635 -0.088,636 -0.053,637 -0.095,638 -0.123,639 -0.125,640 -0.015,641 -0.13,642 -0.057,643 -0.021,644 -0.022,645 -0.022,646 -0.041,647 -0.018,648 -0.018,649 0.002,650 -0.052,651 -0.005,652 -0.01,653 -0.03,654 0.002,655 0.031,656 0.074,657 0.051,658 -0.007,659 0.068,660 0.052,661 -0.113,662 -0.067,663 -0.098,664 0.001,665 -0.097,666 1.684,667 6.902,668 0.629,669 33.242,670 0.982,671 1.135,672 4.275,673 18.273,674 0.613,675 3.689,676 4.174,677 4.564,678 4.905,679 5.215,680 5.429,681 5.649,682 5.869,683 6.061,684 6.277,685 6.512,686 0.558,687 484.8,688 3.689,689 5.333,690 6.263,691 7.232,692 8.187,693 9.16,694 10.125,695 11.1,696 12.07,697 13.047,698 2.4,701 1,707 1,741 83,743 3,745 39,747 87,748 30,756 5,757 15,763 6,764 3,766 3,767 8,768 4,770 9,772 4,773 26,774 5,777 3,782 1,784 1,785 1,786 3,793 48,794 5,795 1,796 5,802 2,808 0.2,809 3,811 1,828 1,829 3,830 1,832 1,833 1,834 2,841 1,849 1,850 1,855 1,857 1,858 1,859 1,864 8,868 35,875 1,876 7,878 1,880 8,881 1,882 3,893 3.6,894 1,896 1,898 1,901 19.75,902 16.933,903 7.215,904 5.504,907 0.786,908 1.087,909 0.878,910 6.221,911 9.866,912 3.761,913 4.29,914 4.718,915 5.112,916 5.497,917 5.753,918 6.023,919 6.304,920 6.561,921 6.798,922 0.875,923 81,924 13.262,926 6.015,927 0.026,929 7.483,931 26.62,933 24.735,936 1.983,937 69.417,941 553.242,942 112.153,943 19.91,945 78.828,948 112.153,949 632.07,950 19.91,951 69.744,952 19.8,953 52.16,954 35.093,955 34.095,957 553.242,959 553.242,960 132.063,961 78.828,964 459.073,965 130.314,966 42.683,968 92.661,969 29.926,970 9.476,972 553.242,973 98.738,974 112.153,977 553.242,978 32.933,979 82.345,981 95.614,982 553.242,983 98.738,984 112.153,986 0.626,987 0.392,988 0.207,989 0.117,990 36,991 18,992 0.034,993 3,994 4,995 1.364,996 4.015,997 385.661,998 0.364,999 22,1000 173.525,1005 25.616,1006 8.5,1007 3.582,1009 98.738,1017 42.683,1018 764.133,1019 42,1024 13.902,1026 2.441,1027 5.081,1028 2.834,1031 81.508,1032 94.174,1034 0.202,1035 0.447,1036 0.737,1037 0.844,1038 0.871,1039 0.871,1040 5.176,1041 2.083,1042 6.382,1043 7.698,1044 4.86,1045 4.977,1046 2.802,1047 7.432,1048 4.824,1049 6.418,1050 1.915,1051 8.115,1052 6.087,1053 4.977,1054 5.094,1055 2.416,1056 9.075,1057 4.945,1058 7.803,1059 1.527,1060 9.971,1061 5.593,1062 6.767,1063 6.978,1064 3.802,1065 12.277,1066 6.718,1067 9.22,1068 1.322,1069 11.904,1070 4.502,1071 7.655,1072 7.828,1073 4.075,1074 14.736,1075 7.615,1076 10.674,1077 1.24,1078 13.889,1079 3.623,1080 9.082,1081 9.326,1082 5.099,1083 17.64,1084 9.034,1085 12.154,1086 0.937,1087 15.911,1088 2.973,1089 10.262,1090 10.465,1091 5.633,1092 20.363,1093 10.22,1094 13.656,1095 0.813,1096 17.961,1097 2.304,1098 11.61,1099 11.852,1100 6.51,1101 23.213,1102 11.566,1103 3.992,1104 0.183,1105 20.033,1106 2.093,1107 12.899,1108 13.112,1109 7.163,1110 26.02,1111 12.858,1112 3.615,1113 17.648,1114 22.121,1115 0.516,1116 14.241,1117 14.47,1118 7.977,1119 28.866,1120 14.198,1121 3.007,1122 14.628,1123 24.222,1124 4.009,1125 15.571,1126 15.784,1127 8.688,1128 31.703,1129 15.53,1130 2.731,1131 11.42,1132 26.334,1133 3.752,1134 16.92,1135 17.139,1136 9.475,1137 34.554,1138 16.879,1139 2.645,1140 9.209,1141 28.454,1142 3.244,1143 18.269,1144 18.479,1145 10.215,1146 37.405,1147 18.228,1148 2.404,1149 8.415,1150 30.581,1151 3.08,1152 19.626,1153 19.838,1154 10.993,1155 40.261,1156 19.585,1157 2.308,1158 8.046,1159 32.713,1160 2.844,1161 20.985,1162 21.192,1163 11.748,1164 43.119,1165 20.943,1166 14524,1167 19080,1168 24.274,1169 50.887,1170 62.271,1171 63.941,1172 66.846,1173 61.52,1174 61.547,1175 65.203,1176 11.813,1177 209.8,1178 60.212,1179 5.997,1180 6.072,1181 7.981,1182 6.101,1183 5.992,1184 6.538,1185 3.677,1186 27.457,1187 5.987,1188 24.398,1189 1.597,1190 1.64,1191 1.714,1192 1.577,1193 1.578,1194 1.672,1195 0.303,1196 5.379,1197 1.544,1198 4.133,1199 4.167,1200 4.052,1201 4.054,1202 7.426,1203 4.048,1204 3.973,1205 4.009,1206 3.896,1207 3.88,1208 6.449,1209 3.877,1210 3.748,1211 3.803,1212 3.643,1213 3.605,1214 4.863,1215 3.606,1216 3.64,1217 3.707,1218 3.51,1219 3.493,1220 4.469,1221 3.486,1222 3.523,1223 3.586,1224 3.384,1225 3.36,1226 4.368,1227 3.354,1228 3.442,1229 3.502,1230 3.282,1231 3.3,1232 4.246,1233 3.286,1234 3.364,1235 3.419,1236 3.218,1237 3.211,1238 4.094,1239 3.206,1240 3.231,1241 3.325,1242 3.022,1243 3.048,1244 3.951,1245 3.03,1246 0.128,1247 0.105,1248 0.223,1249 0.128,1250 0.102,1251 4.997,1252 0.103,1253 4.086,1254 0.056,1255 8.709,1256 0.453,1257 4.991,1258 0.102,1259 3.992,1260 4.009,1261 2.178,1262 17.648,1263 3.987,1264 1.983,1265 1.952,1266 2.123,1267 2.101,1268 1.573,1269 2.109,1270 1.963,1271 1.93,1272 2.115,1273 2.072,1274 1.521,1275 2.087,1276 1.757,1277 1.705,1278 1.964,1279 1.939,1280 1.337,1281 1.951,1282 1.678,1283 1.624,1284 1.92,1285 1.846,1286 1.138,1287 1.872,1288 1.502,1289 1.448,1290 1.762,1291 1.706,1292 1.085,1293 1.724,1294 1.478,1295 1.404,1296 1.746,1297 1.662,1298 1.025,1299 1.696,1300 1.42,1301 1.352,1302 1.702,1303 1.623,1304 0.932,1305 1.653,1306 1.295,1307 1.233,1308 1.603,1309 1.503,1310 0.832,1311 1.536,1312 4.369,1314 5.814,1315 2.398,1316 7.462,1317 5.13,1318 9.213,1319 7.516,1320 11.023,1322 17.869,1327 11.407,1328 6.165,1330 6.242,1332 1.45,1333 2.226,1334 -0.199,1340 46.304,1341 107.088,1342 236.515,1343 390.031,1344 446.825,1345 461.089,1346 461.089,1347 97.31,1348 9.081,1349 62.13,1350 62.13,1351 30,1352 13.521,1353 2,1354 2,1355 52.056,1356 139,1357 151,1358 0.194,1359 278.369,1360 506.21,1361 670.98,1362 113914,1364 25.499,1365 0.729,1366 0.666,1367 25.499,1368 23.304,1369 16.331,1370 0.419,1371 0.361,1372 13.979,1373 15.899,1374 13.258,1375 10.993,1376 16.331,1377 14.098,1378 16.835,1379 0.263,1380 0.218,1381 16.835,1382 13.974,1383 15.012,1384 0.158,1385 0.124,1386 15.012,1387 11.82,1388 12.819,1389 0.096,1390 0.07,1391 12.819,1392 9.411,1393 10.733,1394 0.059,1395 0.04,1396 10.733,1397 7.319,1398 0.294,1399 101.2,1400 0.203,1401 31.053,1402 0.563,1403 206,1404 398.911,1405 217.663,1406 384.175,1407 530.06,1408 360,1409 262,1410 390.589,1411 274.968,1412 402.307,1413 600.27,1414 375,1415 6.524}
{0 CHEMBL393758,1 1.838,2 14.324,3 6.74,4 45.432,5 109.693,6 9.648,7 0.486,8 4.064,9 4.145,10 3.814,11 3.567,12 5.358,13 3.623,14 4.639,15 4.757,16 4.333,17 3.935,18 6.588,19 3.995,20 4.814,21 4.969,22 4.277,23 4.047,24 6.19,25 4.086,26 4.912,27 5.088,28 4.228,29 3.954,30 6.421,31 4.013,32 4.752,33 4.926,34 4.112,35 3.871,36 6.18,37 3.913,38 4.664,39 4.812,40 4.083,41 3.846,42 6.125,43 3.877,44 4.736,45 4.917,46 4.048,47 3.812,48 6.453,49 3.822,50 4.533,51 4.732,52 3.807,53 3.686,54 5.886,55 3.683,56 0.458,57 1.155,58 4.871,59 4.915,60 74.758,61 4.273,62 1.737,63 2.424,64 13.848,65 8.143,66 277.19,67 7.386,68 1.274,69 1.96,70 18.978,71 9.995,72 141.949,73 10.091,74 1.965,75 2.016,76 26.265,77 10.244,78 251.811,79 9.097,80 1.567,81 1.656,82 21.997,83 8.753,84 210.426,85 8.525,86 1.406,87 1.585,88 17.229,89 8.566,90 178.668,91 8.272,92 2.069,93 1.645,94 23.828,95 9.595,96 304.157,97 9.484,98 1.141,99 1.473,100 18.349,101 8.285,102 157.003,103 8.868,104 54,105 55,106 0.307,107 0.598,108 0.721,109 0.803,110 0.852,111 0.866,112 3.56,113 0.812,114 -6.04,115 -5.89,116 -5.47,121 46,123 2,127 1,134 2,144 9,145 3,146 3,147 1,149 1,161 1,176 10,179 4,180 10,187 9,192 9,200 7,206 14,214 5,218 1,219 12,227 5,232 2,239 10,243 3,244 1,251 14,256 1,264 8,268 2,269 6,277 2,281 2108,282 21.908,283 21.908,284 21.908,285 21.908,286 21.908,287 19.708,288 29.31,289 12.462,290 22.804,291 18.263,292 18.263,293 18.263,294 18.263,295 18.263,296 14.833,297 35.16,298 5.924,299 19.904,300 3.806,301 2.07,302 1.336,303 0.845,304 0.55,305 0.47,306 4.249,312 1,313 1041,314 4.583,318 445.016,322 171.912,325 2.363,326 78.146,329 0.75,330 0.67,331 1,332 0.6,333 0.5,334 1,335 1,336 0.79,337 81,338 487,339 4.523,340 4.461,341 7.125,342 4.229,343 3.343,344 4.054,345 3.825,346 11.753,347 3.053,348 4.44,349 4.46,350 7.111,351 4.168,352 3.314,353 3.846,354 3.825,355 11.657,356 2.856,357 4.238,358 3.826,359 6.654,360 3.982,361 3.067,362 3.654,363 2.208,364 10.643,365 2.731,366 4.075,367 3.093,368 5.727,369 3.658,370 2.724,371 3.437,372 0.86,373 7.887,374 2.542,375 3.836,376 3.048,377 5.597,378 3.441,379 2.52,380 3.178,381 0.655,382 7.58,383 2.303,384 3.665,385 2.663,386 5.306,387 3.259,388 2.303,389 2.949,390 0.13,391 6.738,392 2.164,393 3.354,394 2.323,395 4.985,396 2.953,397 2.02,398 2.609,400 5.925,401 1.868,402 2.962,403 2.11,404 4.645,405 2.63,406 1.687,407 2.071,409 4.86,410 1.562,411 2.908,412 2.015,413 4.558,414 2.483,415 1.57,416 2.02,418 4.611,419 1.414,420 2.861,421 1.909,422 4.415,423 2.415,424 1.438,425 1.962,427 4.003,428 1.365,429 2.5,430 1.463,431 3.892,432 2.291,433 1.32,434 1.5,436 3.161,437 1.262,438 2.5,439 1,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.47,448 1,449 3.414,450 1.959,451 1,452 1.453,454 2.275,455 0.956,456 2.01,457 0.955,458 3.36,459 1.715,460 0.742,461 0.899,463 1.861,464 0.715,465 1.547,466 0.884,467 3.047,468 1.172,469 0.262,470 0.318,472 0.662,473 0.235,474 15.014,475 0.442,476 1.255,477 0.037,478 43.5,479 1.279,480 21,481 0.618,482 22.5,483 0.662,484 27.584,485 0.811,486 38.386,487 0.768,488 40.187,489 1.182,490 8.923,491 0.262,492 7.08,493 0.208,494 0.136,495 0.067,496 0.293,498 6,501 0.614,502 0.924,503 0.537,504 1.087,505 0.603,506 0.91,507 0.411,508 0.648,509 0.6,510 0.942,511 0.343,512 0.949,513 0.714,514 0.869,515 0.77,516 1.121,517 0.513,518 1.062,519 1.163,520 0.887,521 1.196,522 0.965,523 1.051,524 1.039,525 0.905,526 0.701,527 0.998,528 0.868,529 0.946,530 0.947,531 0.727,532 0.809,533 0.897,534 1.055,535 0.773,536 1.108,537 0.835,538 0.848,539 1.096,540 0.878,541 0.941,542 1.064,543 0.818,544 0.935,545 0.939,546 1.11,547 0.779,548 1.13,549 10,550 0.223,551 4.667,552 2.375,553 2.071,554 1.472,555 0.893,556 0.575,557 0.414,558 0.302,559 18263,560 80657,561 2.011,562 32,563 2,564 11,566 1,569 2,572 1.754,573 1.838,574 3.748,575 -0.671,582 91.886,583 1.838,584 3.573,585 4.308,586 4.799,587 5.094,588 5.174,589 3.223,590 4.234,591 5.059,592 4.015,593 2252.69,594 8.836,595 36202.4,600 282.193,601 1.729,602 4.983,603 0.27,604 0.008,605 0.085,606 0.043,607 0.042,608 0.033,609 0.021,610 0.015,611 0.013,612 0.009,613 0.539,614 0.33,615 0.75,616 0.86,617 185.813,618 -0.038,619 -0.077,620 0.023,621 -0.081,622 -0.079,623 -0.021,624 0.433,625 0.331,626 0.163,627 0.04,628 0.461,629 -0.064,630 -0.05,631 -0.166,632 0.074,633 -0.171,634 0.048,635 -0.049,636 -0.218,637 -0.021,638 -0.203,639 -0.025,640 -0.151,641 -0.064,642 -0.086,643 0.048,644 -0.046,645 0.061,646 -0.134,647 0.052,648 0.039,649 -0.081,650 -0.011,651 -0.098,652 -0.043,653 -0.105,654 0.163,655 0.1,656 -0.047,657 0.123,658 0.063,659 -0.021,660 -0.045,661 -0.119,662 0.063,663 -0.108,664 -0.033,665 -0.011,666 5.792,667 5.669,668 0.647,669 40.235,670 1.062,671 1.156,672 4.805,673 23.091,674 0.672,675 3.638,676 4.025,677 4.22,678 4.431,679 4.691,680 4.787,681 4.905,682 4.934,683 5.024,684 5.056,685 8.637,686 0.695,687 482.41,688 3.638,689 5.22,690 6.061,691 6.957,692 7.817,693 8.711,694 9.578,695 10.47,696 11.341,697 12.233,698 4,705 1,708 1,715 10,716 1,720 7,722 18,737 1,739 1,741 50,743 19,744 2,745 37,747 53,748 23,749 17,750 5,751 7,756 4,757 5,763 2,767 2,769 2,770 2,772 18,773 5,777 1,782 1,786 1,791 6,793 16,794 11,796 11,802 2,808 0.75,809 3,822 1,829 4,833 1,859 3,866 6,868 34,876 3,878 2,881 1,882 2,892 6,893 6,896 1,898 2,901 18.5,902 9.09,903 7.083,904 2.913,907 3.292,908 1.405,909 0.992,910 6.464,911 11.428,912 3.871,913 4.472,914 4.968,915 5.485,916 6.03,917 6.196,918 6.5,919 6.714,920 6.996,921 7.279,922 1,923 55,924 13.593,926 6.911,927 0.026,929 8.657,931 22.359,933 18.351,936 3.157,937 107.333,941 188.338,942 151.405,943 19.91,945 47.145,946 89.761,948 151.405,949 235.482,950 109.671,952 10.299,953 85.286,954 53.702,955 143.608,956 11.577,957 176.567,958 15.519,959 188.338,960 171.315,961 136.905,964 164.795,965 160.448,968 34.866,969 119.664,970 16.786,972 278.098,973 67.055,974 151.405,977 203.857,978 41.552,979 97.458,981 153.691,982 188.338,983 156.815,984 151.405,986 0.606,987 0.331,988 0.16,989 0.09,990 27,991 13,992 0.075,993 4,994 1,995 1.091,996 4.427,997 311.997,998 0.091,999 22,1000 159.464,1005 23.909,1006 9.192,1007 5.651,1009 156.815,1010 11.413,1011 3.604,1015 -0.735,1018 496.558,1019 47,1024 12.669,1028 -0.835,1031 53.098,1032 57.815,1034 0.326,1035 0.633,1036 0.763,1037 0.85,1038 0.903,1039 0.917,1040 5.156,1041 1.687,1042 6.125,1043 5.925,1044 4.71,1045 5.159,1046 3.938,1047 6.995,1048 4.546,1049 6.398,1050 1.57,1051 7.738,1052 4.86,1053 4.635,1054 5.085,1055 4.639,1056 8.271,1057 4.243,1058 7.735,1059 1.438,1060 9.466,1061 4.611,1062 6.447,1063 7.315,1064 6.184,1065 11.235,1066 6.088,1067 9.103,1068 1.32,1069 11.26,1070 4.003,1071 7.116,1072 7.935,1073 7.405,1074 13.264,1075 6.52,1076 10.498,1077 1,1078 13.098,1079 3.161,1080 8.508,1081 9.732,1082 8.773,1083 15.86,1084 7.911,1085 11.912,1086 1,1087 14.964,1088 2.275,1089 9.476,1090 10.673,1091 10.091,1092 18.154,1093 8.677,1094 13.341,1095 0.742,1096 16.852,1097 2.275,1098 10.727,1099 12.276,1100 11.434,1101 20.645,1102 9.882,1103 3.343,1104 0.262,1105 18.754,1106 1.861,1107 11.82,1108 13.39,1109 12.771,1110 23.035,1111 10.808,1112 3.314,1113 11.753,1114 20.668,1115 0.662,1116 13.023,1117 14.89,1118 14.112,1119 25.495,1120 11.935,1121 3.067,1122 11.657,1123 22.59,1124 4.054,1125 14.17,1126 16.106,1127 15.452,1128 27.921,1129 12.939,1130 2.724,1131 10.643,1132 24.52,1133 3.846,1134 15.359,1135 17.55,1136 16.793,1137 30.373,1138 14.036,1139 2.52,1140 7.887,1141 26.454,1142 3.654,1143 16.529,1144 18.827,1145 18.135,1146 32.813,1147 15.08,1148 2.303,1149 7.58,1150 28.393,1151 3.437,1152 17.716,1153 20.24,1154 19.476,1155 35.263,1156 16.167,1157 2.02,1158 6.738,1159 30.335,1160 3.178,1161 18.898,1162 21.556,1163 20.818,1164 37.71,1165 17.232,1166 17534,1167 37099,1168 23.75,1169 33.614,1170 57.669,1171 55.869,1172 57.312,1173 57.06,1174 56.622,1175 70.901,1176 23.007,1177 171.781,1178 52.053,1179 5.474,1180 6.461,1181 6.653,1182 5.335,1183 5.343,1184 7.054,1185 5.529,1186 18.939,1187 5.053,1188 21.433,1189 1.559,1190 1.51,1191 1.549,1192 1.542,1193 1.53,1194 1.916,1195 0.622,1196 4.643,1197 1.407,1198 4.031,1199 4.06,1200 3.987,1201 3.937,1202 8.517,1203 3.942,1204 3.938,1205 3.962,1206 3.902,1207 3.832,1208 8.509,1209 3.842,1210 3.837,1211 3.862,1212 3.795,1213 3.735,1214 7.999,1215 3.744,1216 3.605,1217 3.654,1218 3.557,1219 3.43,1220 7.999,1221 3.437,1222 3.35,1223 3.368,1224 3.353,1225 3.062,1226 7.999,1227 3.118,1228 3.284,1229 3.319,1230 3.272,1231 2.983,1232 7.999,1233 3.04,1234 3.196,1235 3.247,1236 3.117,1237 2.901,1238 7.433,1239 2.948,1240 2.917,1241 2.952,1242 2.843,1243 2.735,1244 5.004,1245 2.733,1246 0.122,1247 0.121,1248 0.193,1249 0.114,1250 0.09,1251 4.523,1252 0.11,1253 4.461,1254 0.103,1255 7.125,1256 0.318,1257 4.229,1258 0.083,1259 3.343,1260 4.054,1261 3.825,1262 11.753,1263 3.053,1264 1.976,1265 1.949,1266 2.085,1267 2.09,1268 1.357,1269 2.087,1270 1.882,1271 1.864,1272 1.977,1273 2.013,1274 1.044,1275 1.997,1276 1.799,1277 1.771,1278 1.892,1279 1.921,1280 0.969,1281 1.913,1282 1.552,1283 1.501,1284 1.756,1285 1.744,1286 0.959,1287 1.739,1288 1.177,1289 1.157,1290 1.361,1291 1.482,1292 0.579,1293 1.423,1294 1.068,1295 1.041,1296 1.181,1297 1.411,1298 0.229,1299 1.31,1300 1.005,1301 0.97,1302 1.165,1303 1.347,1304 0.218,1305 1.264,1306 0.886,1307 0.821,1308 1.111,1309 1.091,1310 0.214,1311 1.107,1312 4.317,1314 5.687,1316 7.236,1318 8.861,1320 10.526,1324 77.118,1328 1.315,1330 10.682,1333 1.157,1334 -9.056,1340 34.755,1341 91.886,1342 178.67,1343 215.399,1344 239.928,1345 254.683,1346 258.683,1347 98.997,1348 8.137,1349 51.66,1350 51.66,1351 24,1352 12.764,1353 4.322,1354 3.459,1355 57.37,1356 179,1357 162,1358 0.156,1359 205.313,1360 382.71,1361 492.724,1362 45070,1363 12,1364 24.51,1365 0.721,1366 0.508,1367 19.51,1368 17.282,1369 16.003,1370 0.433,1371 0.271,1372 9.749,1373 14.943,1374 9.708,1375 7.903,1376 13.581,1377 10.012,1378 16.314,1379 0.297,1380 0.135,1381 12.398,1382 7.421,1383 12.076,1384 0.18,1385 0.076,1386 10.177,1387 5.067,1388 9.613,1389 0.116,1390 0.041,1391 8.346,1392 3.401,1393 7.919,1394 0.073,1395 0.022,1396 7.288,1397 2.391,1398 0.253,1399 103.721,1400 0.205,1401 32.015,1402 0.403,1403 184,1404 985.163,1405 233.574,1406 774.503,1407 990.75,1408 714,1409 214,1410 685.168,1411 249.915,1412 645.848,1413 986.92,1414 605,1415 4.301}
{0 CHEMBL394348,1 1.354,2 24.25,3 7.202,4 51.864,5 202.83,6 6.121,7 0.24,8 4.714,9 4.854,10 4.09,11 4.197,12 5.67,13 4.136,14 5.294,15 5.514,16 4.347,17 4.561,18 6.147,19 4.461,20 5.561,21 5.82,22 4.452,23 4.724,24 6.388,25 4.594,26 5.653,27 5.912,28 4.395,29 4.783,30 6.445,31 4.62,32 5.759,33 6.052,34 4.341,35 4.81,36 6.509,37 4.614,38 5.722,39 6.02,40 4.319,41 4.772,42 6.431,43 4.583,44 5.672,45 5.953,46 4.304,47 4.744,48 6.432,49 4.57,50 5.649,51 5.922,52 4.211,53 4.725,54 6.404,55 4.531,56 0.12,57 1.469,58 26.549,59 10.584,60 17.405,61 15.177,62 0.401,63 2.306,64 46.933,65 16.277,66 39.784,67 24.421,68 0.612,69 2.801,70 60.37,71 20.787,72 65.691,73 31.372,74 0.66,75 2.981,76 65.807,77 23.504,78 67.976,79 34.873,80 0.863,81 3.148,82 72.055,83 25.628,84 92.982,85 38.371,86 0.602,87 3.035,88 69.151,89 24.42,90 66.989,91 36.801,92 0.75,93 2.906,94 66.822,95 23.197,96 72.535,97 34.399,98 0.605,99 2.832,100 64.834,101 23.558,102 67.583,103 34.61,104 53,105 62,106 0.196,107 0.462,108 0.671,109 0.77,110 0.798,111 0.813,112 3.894,113 1.087,114 -4.72,115 -4.64,116 -4.36,121 37,122 2,123 10,126 2,127 8,137 2,140 2,144 8,145 2,146 2,158 2,176 16,180 13,185 3,187 14,191 1,192 13,196 1,197 3,200 11,206 7,209 2,211 1,214 10,218 2,219 8,222 2,224 2,227 12,232 4,237 2,239 14,243 1,244 7,247 1,249 3,251 20,256 5,261 3,264 14,269 8,274 4,277 9,281 6916,282 33.103,283 33.103,284 33.103,285 33.103,286 33.103,287 30.82,288 40.224,289 20.483,290 33.878,291 24.44,292 24.44,293 24.44,294 24.44,295 24.44,296 20.88,297 47.045,298 9.423,299 25.402,300 5.401,301 3.564,302 2.121,303 1.438,304 1.246,305 1.139,306 4.58,312 1,313 2408,314 5.657,318 659.014,325 4.479,326 36.625,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 102,338 1164,339 4.381,340 3.581,341 6.25,342 3.974,343 2.988,344 3.846,345 0.86,346 9.366,347 2.947,348 4.194,349 3.131,350 6.131,351 3.814,352 2.844,353 3.8,354 0.86,355 8.988,356 2.758,357 4.194,358 3.131,359 6.131,360 3.814,361 2.844,362 3.8,363 0.8,364 8.988,365 2.758,366 3.773,367 2.889,368 5.741,369 3.393,370 2.45,371 3.014,372 0.8,373 7.583,374 2.34,375 3.463,376 2.784,377 5.301,378 3.371,379 2.45,380 2.473,381 0.6,382 6.793,383 2.257,384 3.463,385 2.784,386 5.301,387 3.37,388 2.421,389 2.473,390 0.4,391 6.793,392 2.257,393 3.266,394 2.437,395 4.559,396 2.829,397 1.838,398 2.385,400 4.72,401 1.816,402 2.92,403 2.06,404 4.389,405 2.812,406 1.826,407 2.094,409 4.25,410 1.798,411 2.918,412 2.06,413 4.389,414 2.671,415 1.684,416 2.094,418 4.25,419 1.656,420 2.916,421 1.952,422 3.93,423 2.579,424 1.622,425 2.044,427 3.724,428 1.551,429 2.915,430 1.783,431 3.829,432 2.569,433 1.61,434 2.044,436 3.598,437 1.542,438 2.857,439 1.659,440 3.674,441 2.454,442 1.472,443 1.854,445 3.072,446 1.435,447 2.78,448 1.551,449 3.63,450 2.453,451 1.469,452 1.779,454 3.057,455 1.435,456 2.579,457 1.547,458 3.626,459 2.359,460 1.391,461 1.508,463 2.988,464 1.342,465 2.31,466 1.329,467 3.432,468 2.231,469 1.246,470 1.289,472 2.631,473 1.225,474 22.933,475 0.478,476 0.691,477 0.014,478 48,479 1,480 19,481 0.396,482 29,483 0.604,484 58.923,485 1.228,486 56.267,487 0.521,488 38.78,489 0.808,490 9.226,491 0.192,492 14.255,493 0.297,494 0.116,496 0.209,501 0.882,502 1.51,503 1.021,504 1.331,505 0.754,506 1.21,507 1.172,508 1.187,509 1.086,510 1.086,511 0.691,512 1.067,513 0.935,514 1.037,515 0.969,516 0.998,517 0.738,518 0.979,519 0.982,520 1.163,521 1.103,522 1.157,523 0.867,524 1.146,525 0.761,526 0.977,527 0.97,528 0.994,529 0.823,530 1.005,531 0.829,532 0.98,533 0.928,534 0.965,535 1.041,536 0.956,537 1.173,538 0.889,539 1.072,540 0.951,541 1.158,542 0.991,543 1.092,544 1.123,545 1.138,546 1.143,547 1.192,548 1.153,549 7,550 0.231,551 4.444,552 2,553 1.929,554 1.208,555 0.653,556 0.542,557 0.295,558 0.242,559 58100,560 121550,561 1.996,562 55.6,563 8,564 32,567 2,569 18,572 1.833,573 1.895,574 4.482,575 0.023,582 146.237,583 1.354,584 3.191,585 4.634,586 5.317,587 5.509,588 5.616,589 3.887,590 4.304,591 5.556,592 4.794,593 5407.12,594 9.811,595 134229,600 729.528,601 1.236,602 5.528,603 0.14,604 0.005,605 0.072,606 0.03,607 0.032,608 0.022,609 0.012,610 0.01,611 0.006,612 0.006,613 0.334,614 0.17,615 0.75,616 0.79,617 303.63,618 0.003,619 -0.183,620 0.043,621 -0.08,622 0.001,623 -0.025,624 -0.099,625 -0.018,626 -0.037,627 -0.015,628 0.035,629 -0.016,630 0.031,631 0.037,632 0.042,633 0.015,634 0.119,635 0.031,636 -0.008,637 -0.122,638 -0.103,639 -0.129,640 0.01,641 -0.128,642 0.087,643 -0.009,644 -0.003,645 -0.015,646 0.075,647 -0.02,648 -0.013,649 -0.016,650 0.035,651 0.008,652 -0.05,653 0.025,654 -0.094,655 0.103,656 -0.07,657 0.025,658 -0.101,659 -0.013,660 -0.099,661 -0.143,662 -0.152,663 -0.131,664 -0.13,665 -0.148,666 1.809,667 5.647,668 0.375,669 102.25,670 0.986,671 1.134,672 3.493,673 12.204,674 0.622,675 3.932,676 4.143,677 4.344,678 4.466,679 4.595,680 4.533,681 4.511,682 4.466,683 4.443,684 4.443,685 14.534,686 0.571,687 661.04,688 3.932,689 5.416,690 6.217,691 7.033,692 7.848,693 8.67,694 9.492,695 10.317,696 11.143,697 11.971,698 3.7,700 1,701 2,707 1,715 8,720 4,722 12,739 2,741 108,743 16,744 2,745 50,747 110,748 40,749 12,750 4,751 8,752 6,756 3,757 3,763 2,770 10,772 18,773 22,777 4,782 1,784 2,785 1,786 4,793 60,794 8,795 2,796 8,802 4,808 1,809 4,829 3,839 1,841 1,849 4,853 1,855 2,857 1,859 3,864 4,868 48,875 1,876 18,877 1,878 2,881 2,893 3.7,895 1,896 1,898 2,901 25.333,902 19.883,903 11.444,904 7.279,907 2.825,908 1.353,909 0.918,910 19.248,911 10.82,912 4.111,913 4.533,914 4.987,915 5.365,916 5.761,917 5.696,918 5.727,919 5.724,920 5.79,921 5.808,922 0.938,923 67,924 17.863,926 7.096,927 0.026,929 7.538,931 35.272,933 27.783,936 2.038,937 97.833,941 682.724,942 203.875,943 41.045,945 89.828,948 203.875,949 772.552,950 41.045,951 39.417,952 42.191,953 112.773,954 78.475,955 61.892,957 682.724,959 682.724,960 244.92,961 89.828,964 470.844,965 301.708,968 100.886,969 122.324,970 21.709,972 682.724,973 130.873,974 203.875,977 682.724,978 69.696,979 140.428,980 18.011,981 106.614,982 682.724,983 130.873,984 203.875,986 0.548,987 0.324,988 0.167,989 0.085,990 19,991 10,992 0.227,993 25,995 1,996 6.021,997 419.826,999 18,1000 266.078,1005 39.477,1006 23.404,1007 14.597,1009 130.873,1010 16.504,1015 4.444,1017 60.694,1018 1017.47,1019 60,1024 12.647,1026 2.995,1027 4.493,1028 0.794,1031 106.457,1032 122.456,1034 0.2,1035 0.472,1036 0.686,1037 0.787,1038 0.816,1039 0.831,1040 5.308,1041 1.826,1042 6.133,1043 4.72,1044 4.828,1045 5.22,1046 1.934,1047 6.83,1048 4.758,1049 6.431,1050 1.684,1051 7.623,1052 4.25,1053 4.111,1054 4.745,1055 0.57,1056 7.554,1057 3.992,1058 7.681,1059 1.622,1060 9.217,1061 4.25,1062 6.308,1063 7.213,1064 1.486,1065 10.598,1066 6.174,1067 8.971,1068 1.61,1069 10.877,1070 3.724,1071 6.494,1072 7.642,1073 0.479,1074 12.192,1075 6.31,1076 10.299,1077 1.472,1078 12.58,1079 3.598,1080 8.055,1081 9.533,1082 1.182,1083 14.71,1084 7.865,1085 11.653,1086 1.469,1087 14.312,1088 3.072,1089 8.679,1090 10.392,1091 0.346,1092 16.647,1093 8.449,1094 13.028,1095 1.391,1096 16.064,1097 3.057,1098 9.964,1099 12.028,1100 0.944,1101 18.981,1102 9.727,1103 2.988,1104 1.246,1105 17.831,1106 2.988,1107 10.809,1108 13.105,1109 0.237,1110 21.063,1111 10.542,1112 2.844,1113 9.366,1114 19.608,1115 2.631,1116 11.967,1117 14.612,1118 0.748,1119 23.326,1120 11.692,1121 2.844,1122 8.988,1123 21.392,1124 3.846,1125 12.923,1126 15.803,1127 0.158,1128 25.475,1129 12.624,1130 2.45,1131 8.988,1132 23.182,1133 3.8,1134 14.026,1135 17.239,1136 0.586,1137 27.709,1138 13.716,1139 2.45,1140 7.583,1141 24.977,1142 3.8,1143 15.036,1144 18.493,1145 0.104,1146 29.89,1147 14.708,1148 2.421,1149 6.793,1150 26.776,1151 3.014,1152 16.116,1153 19.89,1154 0.453,1155 32.113,1156 15.776,1157 1.838,1158 6.793,1159 28.577,1160 2.473,1161 17.154,1162 21.179,1163 0.068,1164 34.31,1165 16.798,1166 56650,1167 82166,1168 33.167,1169 67.16,1170 70.077,1171 71.329,1172 72.77,1173 69.677,1174 69.685,1175 83.318,1176 8.64,1177 179.914,1178 67.168,1179 5.35,1180 5.581,1181 6.114,1182 5.006,1183 4.988,1184 6.846,1185 1.72,1186 16.052,1187 4.947,1188 25.705,1189 1.402,1190 1.427,1191 1.455,1192 1.394,1193 1.394,1194 1.666,1195 0.173,1196 3.598,1197 1.343,1198 3.993,1199 4.032,1200 3.92,1201 3.897,1202 7.428,1203 3.896,1204 3.925,1205 3.955,1206 3.86,1207 3.851,1208 6.469,1209 3.849,1210 3.908,1211 3.936,1212 3.859,1213 3.797,1214 4.876,1215 3.809,1216 3.774,1217 3.84,1218 3.635,1219 3.631,1220 4.846,1221 3.621,1222 3.767,1223 3.825,1224 3.629,1225 3.629,1226 4.618,1227 3.618,1228 3.639,1229 3.716,1230 3.492,1231 3.458,1232 4.392,1233 3.456,1234 3.602,1235 3.673,1236 3.442,1237 3.437,1238 4.39,1239 3.429,1240 3.409,1241 3.493,1242 3.248,1243 3.232,1244 4.353,1245 3.222,1246 0.088,1247 0.072,1248 0.125,1249 0.079,1250 0.06,1251 4.381,1252 0.077,1253 3.581,1254 0.017,1255 6.25,1256 0.187,1257 3.974,1258 0.059,1259 2.988,1260 3.846,1261 0.86,1262 9.366,1263 2.947,1264 1.919,1265 1.893,1266 2.058,1267 2.033,1268 1.385,1269 2.043,1270 1.919,1271 1.893,1272 2.057,1273 2.03,1274 1.382,1275 2.041,1276 1.857,1277 1.829,1278 2.018,1279 2.006,1280 1.26,1281 2.004,1282 1.779,1283 1.715,1284 2.009,1285 1.947,1286 1.258,1287 1.97,1288 1.753,1289 1.695,1290 1.919,1291 1.922,1292 1.114,1293 1.93,1294 1.626,1295 1.551,1296 1.879,1297 1.837,1298 1.101,1299 1.856,1300 1.601,1301 1.53,1302 1.845,1303 1.795,1304 1,1305 1.818,1306 1.412,1307 1.333,1308 1.719,1309 1.632,1310 0.963,1311 1.664,1312 4.615,1314 5.855,1316 7.284,1318 8.805,1320 10.377,1322 7.896,1327 10.518,1328 18.325,1329 3.245,1330 10.98,1333 4.991,1340 61.695,1341 146.237,1342 344.579,1343 500.45,1344 574.244,1345 594.999,1346 606.508,1347 145.618,1348 7.996,1349 86.63,1350 86.63,1351 18,1352 12.546,1353 4.087,1354 3.459,1355 118.943,1356 426,1357 338,1358 0.128,1359 386.172,1360 694.44,1361 934.02,1362 50602,1364 34.401,1365 0.717,1366 0.625,1367 34.401,1368 30.015,1369 23.481,1370 0.47,1371 0.362,1372 17.91,1373 22.671,1374 17.393,1375 14.588,1376 23.481,1377 18.124,1378 18.765,1379 0.303,1380 0.201,1381 18.765,1382 12.466,1383 15.561,1384 0.205,1385 0.12,1386 15.561,1387 9.133,1388 11.758,1389 0.137,1390 0.071,1391 11.758,1392 6.092,1393 8.915,1394 0.091,1395 0.041,1396 8.915,1397 4.01,1398 0.219,1399 146.407,1400 0.174,1401 44.161,1402 0.306,1403 224,1404 574.624,1405 241.569,1406 549.007,1407 742.05,1408 518,1409 250,1410 523.786,1411 268.404,1412 533.094,1413 766.7,1414 500,1415 7.762}
{0 CHEMBL394557,1 1.689,2 8.5,3 3.546,4 12.571,5 63.462,6 10.151,7 0.571,8 3.476,9 3.542,10 3.246,11 3.045,12 4.947,13 3.093,14 3.938,15 4.022,16 3.647,17 3.376,18 5.516,19 3.44,20 4.259,21 4.389,22 3.826,23 3.426,24 6.198,25 3.509,26 4.194,27 4.347,28 3.53,29 3.256,30 5.803,31 3.327,32 4.073,33 4.226,34 3.458,35 3.12,36 5.853,37 3.193,38 3.923,39 4.067,40 3.41,41 3.015,42 5.949,43 3.078,44 3.747,45 3.924,46 3.188,47 2.847,48 5.62,49 2.895,50 3.543,51 3.743,52 2.946,53 2.466,54 5.267,55 2.596,56 0.322,57 0.669,58 2.162,59 2.822,60 64.752,61 2.168,62 0.558,63 1.064,64 3.784,65 4.491,66 109.378,67 3.514,68 1.243,69 1.473,70 9.873,71 5.974,72 233.77,73 4.81,74 1.071,75 0.981,76 11.301,77 5.484,78 207.463,79 4.39,80 1.054,81 0.785,82 11.359,83 4.717,84 211.866,85 4.105,86 1.003,87 0.782,88 8.672,89 4.128,90 195.924,91 3.6,92 0.756,93 0.782,94 7.704,95 3.702,96 139.031,97 3.555,98 0.631,99 0.763,100 7.072,101 3.022,102 114.622,103 2.496,104 37,105 30,106 0.327,107 0.605,108 0.698,109 0.847,110 0.916,111 0.93,112 3.058,113 0.789,114 -5.24,115 -5.13,116 -4.8,121 50,129 1,144 6,145 2,146 4,159 1,176 6,180 1,185 1,187 4,192 3,195 1,197 3,200 3,206 3,211 3,214 4,219 1,224 1,227 6,239 4,251 1,281 468,282 12.776,283 12.776,284 12.776,285 12.776,286 12.776,287 11.075,288 10.781,289 7.207,290 12.986,291 10.237,292 10.237,293 10.237,294 10.237,295 10.237,296 7.712,297 9.403,298 3.364,299 10.693,300 3.118,301 1.679,302 1.197,303 0.429,304 0.071,306 3.705,311 1,312 1,313 348,314 3,318 140.888,325 1.3,326 56.253,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 48,338 170,339 4.387,340 3.836,341 6.546,342 4.077,343 3.083,344 3.986,345 1.848,346 10.122,347 3.063,348 4.215,349 3.3,350 6.008,351 3.776,352 2.825,353 3.873,354 0.443,355 8.501,356 2.682,357 3.942,358 3.257,359 5.864,360 3.556,361 2.62,362 3.313,364 7.885,365 2.423,366 3.523,367 2.734,368 5.53,369 3.154,370 2.188,371 2.837,373 6.86,374 2.082,375 2.855,376 2.132,377 4.49,378 2.403,379 1.414,380 1.966,382 4.039,383 1.385,384 2.82,385 2.108,386 4.048,387 2.353,388 1.414,389 1.949,391 3.527,392 1.311,393 2.812,394 1.903,395 4.033,396 2.35,397 1.414,398 1.904,400 3.495,401 1.307,402 1.977,403 1.483,404 3.348,405 1.562,406 0.586,407 0.747,409 1.366,410 0.554,411 1.359,412 0.708,413 2.547,414 0.95,415 0.082,416 0.098,418 0.178,419 0.069,420 1.287,421 0.675,422 2.377,423 0.879,429 0.747,430 -0.034,431 2.372,432 0.292,433 -0.652,434 -0.827,436 -1.692,437 -0.581,438 0.717,439 -0.07,440 2.149,441 0.272,442 -0.661,443 -0.861,445 -1.695,446 -0.595,447 0.142,448 -0.313,449 1.828,450 -0.221,451 -1.19,452 -1.373,454 -2.981,455 -1.055,456 0.023,457 -0.672,458 1.457,459 -0.314,460 -1.209,461 -1.546,463 -3.126,464 -1.118,465 -0.139,466 -0.948,467 1.281,468 -0.464,469 -1.414,470 -1.779,472 -3.716,473 -1.248,474 8.81,475 0.44,476 0.689,477 0.034,478 25.5,479 1.275,480 13.5,481 0.675,482 12,483 0.6,484 12.895,485 0.645,486 22.39,487 0.8,488 20.721,489 1.036,490 5.615,491 0.281,492 3.782,493 0.189,494 0.205,496 0.454,499 4,501 0.611,502 0.754,503 0.55,504 0.863,505 0.639,506 0.779,507 0.725,508 0.964,509 0.666,510 1.128,511 0.727,512 1.018,513 0.854,514 0.909,515 0.916,516 1.083,517 0.841,518 1.086,519 1.129,520 0.869,521 1.226,522 1.049,523 1.148,524 1.137,525 0.924,526 0.701,527 1.012,528 0.831,529 0.969,530 0.923,531 0.761,532 0.863,533 0.965,534 0.896,535 0.784,536 1.028,537 0.831,538 1.092,539 0.948,540 1.029,541 0.798,542 1.08,543 1.509,544 1.576,545 1.262,546 1.142,547 1.437,548 1.015,549 5,550 0.041,551 3.556,552 1.625,553 1.467,554 0.694,555 0.405,556 0.267,557 0.18,558 0.111,559 3361,560 17534,561 1.911,562 28.6,564 7,567 1,572 1.618,573 1.714,574 3.105,575 -0.222,577 1,579 1,582 47.303,583 1.689,584 3.128,585 3.611,586 4.379,587 4.736,588 4.807,589 2.522,590 3.322,591 4.296,592 3.185,593 605.222,594 7.34,595 6121.7,597 1,599 1,600 134.606,601 1.571,602 4.201,603 0.238,604 0.01,605 0.119,606 0.051,607 0.061,608 0.032,609 0.02,610 0.017,611 0.015,612 0.014,613 0.576,614 0.83,615 1,616 0.737,617 88.111,618 -0.039,619 0.034,620 -0.029,621 0.092,622 -0.066,623 0.072,624 -0.062,625 -0.137,626 -0.039,627 -0.179,628 -0.061,629 -0.144,630 0.06,631 0.025,632 -0.018,633 -0.128,634 0.082,635 -0.149,636 -0.251,637 -0.098,638 -0.229,639 -0.123,640 -0.247,641 -0.128,642 -0.049,643 -0.011,644 0.035,645 0.085,646 -0.069,647 0.118,648 0.196,649 0.02,650 0.045,651 0.054,652 0.172,653 -0.036,654 0.105,655 -0.123,656 0.127,657 -0.048,658 0.116,659 -0.005,660 -0.319,661 -0.33,662 -0.053,663 -0.125,664 -0.278,665 0.043,666 3.13,667 5.015,668 0.6,669 13,670 1.072,671 1.152,672 4.011,673 16.091,674 0.687,675 3.091,676 3.434,677 3.664,678 3.761,679 3.97,680 3.932,681 3.85,682 3.714,683 3.638,684 3.611,685 5.028,686 0.719,687 284.22,688 3.091,689 4.635,690 5.476,691 6.34,692 7.2,693 8.064,694 8.928,695 9.793,696 10.659,697 11.525,715 6,720 6,722 12,727 1,740 4,741 28,743 13,744 2,745 21,747 29,748 14,749 12,750 6,751 6,752 1,756 2,757 2,770 1,772 13,773 1,777 1,782 1,786 1,790 1,791 4,793 8,794 6,795 1,796 6,808 1,809 2,811 1,829 2,857 1,859 2,866 4,868 20,875 1,880 1,892 4,893 7.1,894 1,896 1,901 11.667,902 5.021,903 4.389,904 1.494,907 2.115,908 1.343,909 0.924,910 3.87,911 8.289,912 3.367,913 3.989,914 4.527,915 4.972,916 5.493,917 5.555,918 5.621,919 5.651,920 5.873,921 6.188,922 0.833,923 32,924 7.604,926 3.612,927 0.026,929 9,931 12.731,933 10.265,936 3.5,937 70,941 82.398,942 104.846,945 67.828,946 59.84,948 104.846,949 150.226,950 59.84,953 99.541,954 30.278,955 42.855,956 59.84,957 82.398,959 82.398,960 104.846,961 127.669,964 142.238,965 25.145,966 42.683,969 104.846,972 142.238,973 67.828,974 104.846,977 82.398,978 47.989,979 56.857,981 127.669,982 82.398,983 127.669,984 104.846,986 0.601,987 0.359,988 0.157,989 0.087,990 14,991 8,992 0.103,993 3,995 1,996 3.081,997 144.611,999 12,1000 86.439,1005 14.232,1006 5.438,1007 2.89,1009 127.669,1010 4.802,1015 -5.183,1017 42.683,1018 314.913,1019 28,1024 11.85,1028 -0.949,1031 30.007,1032 32.269,1034 0.351,1035 0.651,1036 0.751,1037 0.911,1038 0.985,1039 1,1040 4.605,1041 0.586,1042 5.501,1043 3.495,1044 4.111,1045 4.673,1046 2.019,1047 6.315,1048 4.029,1049 5.845,1050 0.082,1051 7.091,1052 1.366,1053 3.892,1054 4.605,1055 1.22,1056 7.239,1057 3.733,1058 7.168,1060 8.776,1061 0.178,1062 5.733,1063 6.875,1064 2.917,1065 10.294,1066 5.598,1067 8.524,1068 -0.652,1069 10.511,1071 6.256,1072 7.526,1073 2.638,1074 11.947,1075 6.051,1076 9.904,1077 -0.661,1078 12.274,1079 -1.692,1080 7.633,1081 9.33,1082 3.984,1083 14.55,1084 7.452,1085 11.302,1086 -1.19,1087 14.057,1088 -1.695,1089 8.468,1090 10.307,1091 4.007,1092 16.518,1093 8.24,1094 12.712,1095 -1.209,1096 15.853,1097 -2.981,1098 9.673,1099 11.91,1100 5.117,1101 18.948,1102 9.458,1103 3.083,1104 -1.414,1105 17.659,1106 -3.126,1107 10.647,1108 13.055,1109 5.332,1110 21.073,1111 10.405,1112 2.825,1113 10.122,1114 19.473,1115 -3.716,1116 11.784,1117 14.554,1118 6.282,1119 23.429,1120 11.548,1121 2.62,1122 8.501,1123 21.294,1124 3.986,1125 12.823,1126 15.793,1127 6.624,1128 25.637,1129 12.573,1130 2.188,1131 7.885,1132 23.12,1133 3.873,1134 13.934,1135 17.236,1136 7.467,1137 27.962,1138 13.688,1139 1.414,1140 6.86,1141 24.95,1142 3.313,1143 15.005,1144 18.529,1145 7.895,1146 30.216,1147 14.753,1148 1.414,1149 4.039,1150 26.785,1151 2.837,1152 16.109,1153 19.941,1154 8.665,1155 32.529,1156 15.859,1157 1.414,1158 3.527,1159 28.624,1160 1.966,1161 17.197,1162 21.265,1163 9.152,1164 34.808,1165 16.944,1166 3475,1167 8007,1168 12.948,1169 19.227,1170 31.784,1171 34.118,1172 34.019,1173 31.389,1174 31.255,1175 41.347,1176 4.582,1177 91.944,1178 29.752,1179 5.215,1180 5.836,1181 5.845,1182 5.077,1183 5.083,1184 6.986,1185 3.376,1186 17.314,1187 5.063,1188 13.023,1189 1.514,1190 1.625,1191 1.62,1192 1.495,1193 1.488,1194 1.969,1195 0.218,1196 4.378,1197 1.417,1198 3.992,1199 4.009,1200 3.96,1201 3.907,1202 8.243,1203 3.915,1204 3.876,1205 3.899,1206 3.847,1207 3.793,1208 8.236,1209 3.799,1210 3.425,1211 3.432,1212 3.397,1213 3.223,1214 8.161,1215 3.258,1216 2.948,1217 2.975,1218 2.927,1219 2.751,1220 8.161,1221 2.781,1222 2.896,1223 2.955,1224 2.803,1225 2.733,1226 7.428,1227 2.734,1228 2.889,1229 2.945,1230 2.791,1231 2.733,1232 6.444,1233 2.732,1234 2.637,1235 2.683,1236 2.567,1237 2.361,1238 4.517,1239 2.395,1240 2.415,1241 2.425,1242 2.306,1243 1.881,1244 4.472,1245 1.978,1246 0.209,1247 0.183,1248 0.312,1249 0.194,1250 0.147,1251 4.387,1252 0.19,1253 3.836,1254 0.088,1255 6.546,1256 0.482,1257 4.077,1258 0.146,1259 3.083,1260 3.986,1261 1.848,1262 10.122,1263 3.063,1264 1.933,1265 1.918,1266 2.01,1267 2.037,1268 1.145,1269 2.026,1270 1.842,1271 1.822,1272 1.924,1273 1.945,1274 1.017,1275 1.936,1276 1.301,1277 1.291,1278 1.417,1279 1.54,1280 0.524,1281 1.492,1282 0.865,1283 0.812,1284 1.12,1285 1.07,1286 0.165,1287 1.081,1288 0.859,1289 0.804,1290 1.1,1291 1.068,1292 0.14,1293 1.077,1294 0.816,1295 0.792,1296 0.919,1297 1.064,1299 1.009,1300 0.502,1301 0.458,1302 0.757,1303 0.841,1305 0.805,1306 0.137,1307 0.112,1308 0.507,1309 0.665,1311 0.596,1312 3.761,1314 5.094,1316 6.621,1318 8.229,1320 9.873,1324 51.514,1327 9.763,1332 -1.796,1340 20.124,1341 47.303,1342 87.586,1343 101.096,1344 122.606,1345 132.606,1346 134.606,1347 77.195,1348 6.174,1349 37.3,1350 37.3,1351 12,1352 12.071,1353 3.807,1354 3,1355 36.41,1356 60,1357 54,1358 0.306,1359 122.57,1360 227.62,1361 290.831,1362 3037,1363 14.3,1364 14.861,1365 0.743,1366 0.495,1367 11.38,1368 9.909,1369 9.397,1370 0.447,1371 0.263,1372 5.389,1373 8.828,1374 5.356,1375 4.364,1376 7.788,1377 5.522,1378 8.774,1379 0.292,1380 0.136,1381 6.514,1382 4.069,1383 7.594,1384 0.2,1385 0.071,1386 5.616,1387 2.712,1388 4.992,1389 0.119,1390 0.039,1391 4.179,1392 1.641,1393 3.999,1394 0.077,1395 0.02,1396 3.131,1397 1.059,1398 0.469,1399 60.999,1400 0.278,1401 19.743,1402 0.87,1403 102,1404 604.33,1405 121.531,1406 472.289,1407 583.96,1408 432,1409 119,1410 380.242,1411 138.407,1412 359.408,1413 527.86,1414 337,1415 4}
{0 CHEMBL394806,1 1.724,2 8.636,3 3.957,4 15.654,5 63.894,6 11.436,7 0.522,8 3.507,9 3.561,10 3.357,11 3.039,12 5.081,13 3.127,14 3.977,15 4.046,16 3.792,17 3.367,18 5.676,19 3.488,20 4.321,21 4.428,22 4.04,23 3.415,24 6.487,25 3.574,26 4.246,27 4.378,28 3.804,29 3.245,30 6.186,31 3.397,32 4.136,33 4.265,34 3.667,35 3.109,36 6.164,37 3.257,38 3.987,39 4.106,40 3.624,41 3.003,42 6.232,43 3.146,44 3.805,45 3.959,46 3.413,47 2.831,48 5.814,49 2.982,50 3.652,51 3.811,52 3.239,53 2.436,54 5.566,55 2.731,56 0.575,57 0.901,58 0.789,59 2.901,60 113.547,61 1.762,62 0.991,63 1.432,64 1.262,65 4.618,66 193.948,67 2.858,68 1.897,69 1.98,70 6.212,71 6.146,72 361.678,73 3.882,74 1.716,75 1.425,76 8.736,77 5.594,78 332.949,79 4.018,80 1.589,81 0.925,82 9.341,83 4.821,84 316.868,85 3.485,86 1.405,87 0.914,88 6.415,89 4.226,90 271.594,91 3.007,92 1.124,93 1.028,94 6.373,95 3.796,96 207.672,97 3.001,98 1.088,99 1.036,100 5.457,101 3.163,102 205.448,103 1.483,104 65,105 34,106 0.334,107 0.605,108 0.671,109 0.764,110 0.806,111 0.819,112 3.147,113 0.748,114 -5.48,115 -5.36,116 -5.01,121 50,129 1,144 4,145 2,146 6,159 1,176 4,180 1,185 1,187 2,192 3,195 1,197 3,200 1,206 2,211 2,214 4,227 4,281 592,282 13.776,283 13.776,284 13.776,285 13.776,286 13.776,287 11.97,288 11.932,289 7.596,290 14.071,291 11.185,292 11.185,293 11.185,294 11.185,295 11.185,296 8.49,297 11.052,298 3.532,299 11.841,300 3.083,301 1.679,302 1.34,303 0.857,304 0.643,305 0.571,306 3.792,311 1,312 1,313 386,314 3.162,318 156.579,325 1.306,326 76.454,329 0.75,330 1,331 1,332 0.4,334 1,335 1,336 0.74,337 55,338 190,339 4.466,340 3.845,341 6.586,342 4.119,343 3.139,344 4.129,345 1.848,346 10.286,347 3.086,348 4.363,349 3.48,350 6.331,351 3.921,352 2.981,353 4.06,354 0.443,355 9.389,356 2.79,357 4.033,358 3.434,359 6.207,360 3.687,361 2.743,362 3.385,364 8.813,365 2.548,366 3.541,367 2.736,368 5.607,369 3.179,370 2.206,371 2.861,373 7.115,374 2.12,375 3.232,376 2.592,377 4.879,378 2.787,379 1.879,380 2.481,382 5.225,383 1.678,384 3.232,385 2.592,386 4.879,387 2.787,388 1.879,389 2.481,391 5.225,392 1.678,393 2.844,394 2.026,395 4.548,396 2.398,397 1.414,398 1.916,400 4.135,401 1.376,402 2.003,403 1.818,404 3.557,405 1.601,406 0.671,407 0.814,409 1.645,410 0.599,411 1.545,412 1.58,413 2.98,414 1.171,415 0.367,416 0.405,418 0.824,419 0.284,420 1.445,421 1.319,422 2.653,423 1.056,424 0.198,425 0.234,427 0.427,428 0.164,429 1,430 0.159,431 2.653,432 0.557,433 -0.347,434 -0.445,436 -0.898,437 -0.303,438 1,439 0.159,440 2.562,441 0.557,442 -0.347,443 -0.445,445 -0.898,446 -0.303,447 0.31,448 -0.138,449 2,450 -0.053,451 -1,452 -1.114,454 -2.467,455 -0.84,456 0.183,457 -0.226,458 1.536,459 -0.134,460 -1,461 -1.222,463 -2.491,464 -0.873,465 -0.098,466 -0.388,467 1.468,468 -0.403,469 -1.298,470 -1.491,472 -3.282,473 -1.085,474 9.381,475 0.426,476 0.868,477 0.039,478 27,479 1.227,480 13.5,481 0.614,482 13.5,483 0.614,484 15.54,485 0.706,486 25.419,487 0.908,488 24.424,489 1.11,490 6.052,491 0.275,492 4.166,493 0.189,494 0.254,496 0.533,499 6,501 0.658,502 0.77,503 0.516,504 0.864,505 0.68,506 0.755,507 0.792,508 0.981,509 0.621,510 1.129,511 0.793,512 0.994,513 0.846,514 0.881,515 0.905,516 1.077,517 0.845,518 1.125,519 0.969,520 0.817,521 1.083,522 1.044,523 0.988,524 1.148,525 0.96,526 0.768,527 1.168,528 0.825,529 0.996,530 1,531 0.796,532 0.906,533 1.039,534 0.892,535 0.804,536 1.088,537 1.013,538 1.171,539 1.012,540 1.041,541 0.952,542 1.039,543 1.974,544 1.763,545 1.78,546 1.164,547 1.922,548 0.984,549 6,550 0.041,551 4,552 2.25,553 1.849,554 0.806,555 0.568,556 0.299,557 0.279,558 0.182,559 4171,560 25692,561 1.869,562 21.4,564 5,567 1,572 1.647,573 1.65,574 3.105,575 -0.175,577 1,582 48.283,583 1.724,584 3.128,585 3.468,586 3.95,587 4.164,588 4.236,589 2.482,590 2.914,591 4.436,592 3.22,593 743.806,594 7.628,595 8047.34,597 1,599 1,600 134.606,601 1.495,602 4.316,603 0.261,604 0.007,605 0.118,606 0.059,607 0.062,608 0.031,609 0.024,610 0.015,611 0.017,612 0.014,613 0.607,614 0.67,615 0.88,616 0.733,617 100.026,618 -0.036,619 0.029,620 -0.038,621 0.09,622 -0.053,623 0.083,624 -0.091,625 -0.147,626 -0.026,627 -0.18,628 -0.086,629 -0.131,630 0.071,631 0.055,632 -0.015,633 -0.121,634 0.077,635 -0.192,636 -0.101,637 -0.054,638 -0.012,639 -0.127,640 -0.104,641 -0.059,642 -0.062,643 -0.022,644 -0.059,645 0.088,646 -0.081,647 0.091,648 0.161,649 -0.013,650 -0.004,651 0.057,652 0.148,653 -0.074,654 -0.057,655 -0.227,656 0.131,657 -0.064,658 -0.014,659 0.093,660 -0.716,661 -0.441,662 -0.63,663 -0.128,664 -0.686,665 -0.042,666 3.547,667 5.04,668 0.545,669 14.612,670 1.108,671 1.177,672 4.255,673 18.101,674 0.682,675 3.178,676 3.555,677 3.807,678 3.932,679 4.111,680 4.143,681 4.043,682 3.892,683 3.892,684 3.892,685 5.211,686 0.746,687 320.2,688 3.178,689 4.745,690 5.602,691 6.485,692 7.357,693 8.24,694 9.115,695 9.999,696 10.876,697 11.76,715 4,720 8,722 12,727 1,740 6,741 28,743 13,744 2,745 23,747 29,748 14,749 12,750 8,751 4,752 1,756 2,757 2,770 1,772 13,773 1,777 1,782 1,786 1,790 1,791 6,793 6,794 8,795 1,796 8,808 1,809 2,811 1,829 2,857 1,859 2,866 6,868 22,875 1,880 1,892 6,893 7.1,894 1,896 1,901 13.333,902 5.14,903 4.778,904 1.468,907 2.138,908 1.335,909 0.925,910 4.252,911 8.521,912 3.434,913 4.094,914 4.649,915 5.116,916 5.614,917 5.77,918 5.799,919 5.799,920 6.067,921 6.411,922 0.833,923 38,924 8.588,926 4.388,927 0.026,929 9.379,931 13.573,933 11.013,936 3.879,937 85.333,941 58.856,942 104.136,945 67.828,946 89.761,948 104.136,949 126.684,950 89.761,953 80.588,954 30.278,955 61.097,956 89.761,957 58.856,959 58.856,960 104.136,961 157.589,964 148.616,965 25.145,966 42.683,969 104.136,972 148.616,973 67.828,974 104.136,977 58.856,978 66.231,979 37.905,981 157.589,982 58.856,983 157.589,984 104.136,986 0.61,987 0.372,988 0.166,989 0.086,990 16,991 10,992 0.103,993 3,995 1,996 3.162,997 168.942,999 12,1000 86.107,1005 16.066,1006 5.823,1007 3.004,1009 157.589,1010 1.356,1015 -11.691,1017 42.683,1018 320.58,1019 30,1024 11.824,1028 -1.344,1031 31.032,1032 32.948,1034 0.359,1035 0.651,1036 0.721,1037 0.822,1038 0.866,1039 0.881,1040 4.7,1041 0.671,1042 5.652,1043 4.135,1044 4.234,1045 4.779,1046 2.019,1047 6.506,1048 4.124,1049 5.965,1050 0.367,1051 7.27,1052 1.645,1053 4.111,1054 4.844,1055 1.22,1056 7.483,1057 3.916,1058 7.31,1059 0.198,1060 8.981,1061 0.824,1062 5.9,1063 7.03,1064 2.917,1065 10.567,1066 5.717,1067 8.687,1068 -0.347,1069 10.737,1070 0.427,1071 6.494,1072 7.795,1073 2.638,1074 12.245,1075 6.226,1076 10.086,1077 -0.347,1078 12.521,1079 -0.898,1080 7.845,1081 9.545,1082 3.984,1083 14.884,1084 7.593,1085 11.502,1086 -1,1087 14.322,1088 -0.898,1089 8.735,1090 10.624,1091 4.007,1092 16.87,1093 8.415,1094 12.931,1095 -1,1096 16.135,1097 -2.467,1098 9.936,1099 12.199,1100 5.117,1101 19.329,1102 9.619,1103 3.139,1104 -1.298,1105 17.957,1106 -2.491,1107 10.952,1108 13.434,1109 5.332,1110 21.467,1111 10.587,1112 2.981,1113 10.286,1114 19.787,1115 -3.282,1116 12.098,1117 14.927,1118 6.282,1119 23.843,1120 11.725,1121 2.743,1122 9.389,1123 21.623,1124 4.129,1125 13.17,1126 16.243,1127 6.624,1128 26.059,1129 12.763,1130 2.206,1131 8.813,1132 23.464,1133 4.06,1134 14.297,1135 17.695,1136 7.467,1137 28.397,1138 13.877,1139 1.879,1140 7.115,1141 25.308,1142 3.385,1143 15.394,1144 19.054,1145 7.895,1146 30.656,1147 14.949,1148 1.879,1149 5.225,1150 27.156,1151 2.861,1152 16.515,1153 20.486,1154 8.665,1155 32.977,1156 16.056,1157 1.414,1158 5.225,1159 29.007,1160 2.481,1161 17.626,1162 21.867,1163 9.152,1164 35.26,1165 17.146,1166 4341,1167 10847,1168 13.759,1169 19.102,1170 35.324,1171 38.948,1172 37.933,1173 34.974,1174 34.955,1175 45.532,1176 4.582,1177 106.167,1178 32.646,1179 5.298,1180 5.845,1181 5.586,1182 5.119,1183 5.139,1184 7.129,1185 3.376,1186 17.514,1187 5.086,1188 15.986,1189 1.536,1190 1.693,1191 1.649,1192 1.521,1193 1.52,1194 1.98,1195 0.199,1196 4.616,1197 1.419,1198 4.001,1199 4.015,1200 3.982,1201 3.906,1202 8.264,1203 3.919,1204 3.889,1205 3.909,1206 3.878,1207 3.792,1208 8.255,1209 3.806,1210 3.434,1211 3.438,1212 3.415,1213 3.222,1214 8.191,1215 3.263,1216 2.95,1217 2.985,1218 2.929,1219 2.75,1220 8.191,1221 2.784,1222 2.937,1223 2.985,1224 2.913,1225 2.73,1226 8.149,1227 2.753,1228 2.937,1229 2.972,1230 2.913,1231 2.73,1232 8.148,1233 2.753,1234 2.641,1235 2.685,1236 2.57,1237 2.361,1238 7.428,1239 2.397,1240 2.415,1241 2.425,1242 2.307,1243 1.881,1244 6.444,1245 1.978,1246 0.194,1247 0.167,1248 0.286,1249 0.179,1250 0.136,1251 4.466,1252 0.18,1253 3.845,1254 0.08,1255 6.586,1256 0.447,1257 4.119,1258 0.134,1259 3.139,1260 4.129,1261 1.848,1262 10.286,1263 3.086,1264 1.927,1265 1.914,1266 1.985,1267 2.038,1268 1.137,1269 2.019,1270 1.832,1271 1.816,1272 1.887,1273 1.947,1274 0.999,1275 1.925,1276 1.292,1277 1.285,1278 1.379,1279 1.541,1280 0.486,1281 1.483,1282 0.832,1283 0.794,1284 1.035,1285 1.074,1286 0.072,1287 1.047,1288 0.832,1289 0.787,1290 1.035,1291 1.074,1292 0.072,1293 1.047,1294 0.812,1295 0.787,1296 0.88,1297 1.067,1299 1.003,1300 0.497,1301 0.456,1302 0.719,1303 0.842,1305 0.798,1306 0.137,1307 0.112,1308 0.5,1309 0.665,1311 0.595,1312 3.85,1314 5.209,1316 6.76,1318 8.395,1320 10.069,1324 77.714,1327 9.689,1332 -2.214,1340 20.89,1341 48.283,1342 87.586,1343 97.096,1344 110.606,1345 116.606,1346 118.606,1347 103.682,1348 6.384,1349 37.3,1350 37.3,1351 12,1352 12.294,1353 3.807,1354 3,1355 42.154,1356 69,1357 58,1358 0.31,1359 124.966,1360 239.76,1361 296.678,1362 3903,1363 21.4,1364 16.602,1365 0.755,1366 0.478,1367 11.38,1368 10.51,1369 10.218,1370 0.444,1371 0.249,1372 5.55,1373 9.443,1374 5.557,1375 4.488,1376 7.788,1377 5.733,1378 9.809,1379 0.288,1380 0.127,1381 6.514,1382 4.319,1383 8.605,1384 0.196,1385 0.065,1386 5.616,1387 2.839,1388 5.8,1389 0.116,1390 0.035,1391 4.179,1392 1.74,1393 4.319,1394 0.072,1395 0.018,1396 3.131,1397 1.081,1398 0.473,1399 67.66,1400 0.27,1401 21.321,1402 0.886,1403 114,1404 792.552,1405 141.192,1406 596.659,1407 728.1,1408 544,1409 135,1410 468.909,1411 163.233,1412 435.262,1413 644.43,1414 407,1415 4}
{0 CHEMBL394807,1 1.713,2 10.25,3 4.608,4 21.235,5 74.543,6 10.243,7 0.48,8 3.666,9 3.738,10 3.435,11 3.195,12 5.063,13 3.253,14 4.232,15 4.329,16 3.999,17 3.548,18 6.423,19 3.623,20 4.384,21 4.512,22 3.938,23 3.656,24 6.06,25 3.707,26 4.549,27 4.721,28 3.853,29 3.524,30 6.241,31 3.611,32 4.371,33 4.568,34 3.535,35 3.319,36 5.932,37 3.38,38 3.977,39 4.131,40 3.393,41 3.209,42 5.373,43 3.234,44 4.116,45 4.266,46 3.633,47 3.142,48 6.216,49 3.219,50 4.041,51 4.221,52 3.499,53 2.924,54 6.207,55 3.028,56 0.478,57 0.948,58 2.539,59 3.658,60 106.035,61 2.774,62 1.499,63 2.024,64 7.11,65 6.035,66 286.776,67 4.541,68 1.146,69 1.554,70 8.955,71 7.217,72 208.909,73 6.643,74 1.841,75 1.529,76 17.28,77 7.847,78 335.431,79 6.293,80 1.66,81 1.064,82 18.608,83 6.37,84 318.409,85 5.411,86 0.799,87 0.881,88 8.128,89 4.669,90 163.333,91 4.566,92 1.334,93 0.949,94 10.475,95 4.99,96 264.722,97 4.706,98 1.407,99 0.885,100 12.476,101 4.512,102 272.791,103 4.207,104 69,105 38,106 0.318,107 0.56,108 0.611,109 0.698,110 0.761,111 0.772,112 3.228,113 0.788,114 -5.69,115 -5.55,116 -5.18,121 47.1,129 1,134 2,144 8,145 4,159 1,176 12,180 1,185 1,187 12,192 3,195 1,197 3,200 7,206 4,211 4,214 4,219 3,224 3,227 8,232 1,237 1,239 10,251 8,264 4,277 1,281 804,282 14.72,283 14.72,284 14.72,285 14.72,286 14.72,287 13.307,288 15.285,289 8.13,290 15.223,291 12.25,292 12.25,293 12.25,294 12.25,295 12.25,296 10.016,297 14.85,298 3.782,299 13.224,300 3.374,301 2.067,302 1.795,303 1.324,304 0.986,305 0.927,306 3.875,311 1,312 1,313 498,314 4.472,318 180.649,325 1.792,326 71.349,328 1,329 0.75,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.84,337 59,338 246,339 4.466,340 4.46,341 7.112,342 4.19,343 3.319,344 3.93,345 3.825,346 11.66,347 3.067,348 4.439,349 4.46,350 7.111,351 4.171,352 3.313,353 3.836,354 3.825,355 11.658,356 2.879,357 4.243,358 3.83,359 6.524,360 4.001,361 3.018,362 3.505,363 1.848,364 10.016,365 2.804,366 3.823,367 2.837,368 5.703,369 3.455,370 2.474,371 3.173,372 0.443,373 7.585,374 2.394,375 3.265,376 2.303,377 4.785,378 2.849,379 1.904,380 2.443,382 5.24,383 1.757,384 2.956,385 2.093,386 4.625,387 2.554,388 1.628,389 2.068,391 4.767,392 1.458,393 2.65,394 1.699,395 4.354,396 2.206,397 1.238,398 1.664,400 3.671,401 1.172,402 2.5,403 1.379,404 3.414,405 2,406 1,407 1.5,409 2.275,410 1,411 2.5,412 1,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 1.914,421 1,422 3.325,423 1.488,424 0.493,425 0.644,427 1.176,428 0.478,429 0.919,430 0.51,431 2.786,432 0.492,433 -0.502,434 -0.635,436 -1.203,437 -0.485,438 0.823,439 0.51,440 2.639,441 0.435,442 -0.54,443 -0.713,445 -1.253,446 -0.528,447 0.5,448 0.51,449 2.141,451 -1,452 -1,454 -3,455 -0.7,456 0.5,457 0.51,458 2,460 -1,461 -1,463 -3,464 -0.7,466 -0.032,467 2,468 -0.3,469 -1,470 -1,472 -3,473 -0.7,474 10.381,475 0.433,476 1.088,477 0.045,478 28,479 1.167,480 13.5,481 0.563,482 14.5,483 0.604,484 17.71,485 0.738,486 28.019,487 0.824,488 26.636,489 1.11,490 6.128,491 0.255,492 4.87,493 0.203,494 0.229,495 0.096,496 0.289,498 6,501 0.612,502 0.803,503 0.541,504 0.945,505 0.702,506 0.841,507 0.426,508 0.595,509 0.574,510 0.939,511 0.45,512 0.98,513 0.606,514 0.866,515 0.698,516 1.224,517 0.582,518 1.205,519 1.173,520 0.98,521 1.266,522 1.084,523 1.138,524 1.172,525 1.194,526 0.734,527 1.32,528 0.73,529 1.205,530 0.908,531 0.621,532 0.683,533 0.781,534 1.038,535 0.688,536 1.113,537 0.607,538 0.889,539 0.81,540 1.003,541 0.645,542 1.103,543 0.826,544 0.983,545 0.949,546 0.813,547 0.82,548 0.909,549 8,550 0.108,551 4.444,552 2.25,553 1.324,554 1.069,555 0.568,556 0.424,557 0.329,558 0.2,559 5861,560 33434,561 1.861,562 29.4,564 9,567 1,572 1.665,573 1.655,574 3.31,575 -0.219,582 58.245,583 1.713,584 3.021,585 3.293,586 3.763,587 4.102,588 4.161,589 2.689,590 2.855,591 4.555,592 3.521,593 971.909,594 7.84,595 11618.7,597 1,600 172.974,601 1.855,602 4.433,603 0.32,604 0.008,605 0.117,606 0.059,607 0.041,608 0.045,609 0.026,610 0.018,611 0.016,612 0.012,613 0.661,614 0.67,615 0.88,616 1.018,617 115.095,618 -0.03,619 0.027,620 -0.023,621 0.076,622 -0.111,623 0.062,624 0.42,625 0.421,626 0.123,627 0.078,628 0.39,629 -0.109,630 0.037,631 -0.152,632 0.078,633 -0.265,634 0.072,635 -0.185,636 -0.269,637 -0.144,638 -0.25,639 -0.147,640 -0.23,641 -0.148,642 -0.296,643 0.008,644 -0.206,645 0.184,646 -0.299,647 0.179,648 -0.003,649 -0.083,650 0.093,651 -0.108,652 -0.057,653 -0.022,654 0.298,655 -0.044,656 0.186,657 -0.059,658 0.261,659 -0.089,660 0.237,661 -0.028,662 0.205,663 0.136,664 0.239,665 0.13,666 5.812,667 5.034,668 0.5,669 22.083,670 1.082,671 1.17,672 4.456,673 19.86,674 0.665,675 3.258,676 3.664,677 3.807,678 3.892,679 4.043,680 4.174,681 4.29,682 4.043,683 3.97,684 3.892,685 6.281,686 0.704,687 348.26,688 3.258,689 4.844,690 5.673,691 6.567,692 7.414,693 8.303,694 9.156,695 10.043,696 10.9,697 11.784,715 8,720 4,722 12,727 1,741 34,743 13,744 2,745 25,747 35,748 16,749 12,750 4,751 8,752 1,756 2,757 2,763 2,769 2,770 1,772 13,773 3,777 1,782 1,786 1,790 1,791 6,793 10,794 8,795 1,796 8,808 1,809 2,811 1,829 2,857 1,859 2,866 6,868 24,875 1,880 1,882 2,892 6,893 5.9,894 1,896 1,901 14.5,902 5.974,903 5,904 1.788,907 2.117,908 1.323,909 0.922,910 4.731,911 8.674,912 3.497,913 4.094,914 4.59,915 5.032,916 5.529,917 5.731,918 6.027,919 5.829,920 6.019,921 6.306,922 0.857,923 38,924 9.942,926 5.405,927 0.026,929 9.215,931 15.092,933 12.253,936 3.715,937 89.167,941 105.94,942 109.205,945 67.828,946 89.761,948 109.205,949 173.768,950 89.761,953 118.493,954 30.278,955 102.503,957 105.94,958 15.519,959 105.94,960 109.205,961 157.589,964 105.94,965 114.906,966 42.683,968 15.519,969 93.686,972 195.701,973 67.828,974 109.205,977 121.459,978 17.876,979 75.81,981 157.589,982 105.94,983 157.589,984 109.205,986 0.618,987 0.335,988 0.14,989 0.068,990 18,991 10,992 0.086,993 3,995 1,996 3.402,997 185.231,999 12,1000 92.529,1005 18.033,1006 6.296,1007 4.168,1009 157.589,1010 6.471,1015 -2.174,1017 42.683,1018 372.734,1019 32,1024 12.034,1028 -0.913,1031 36.8,1032 39.779,1034 0.337,1035 0.594,1036 0.647,1037 0.74,1038 0.806,1039 0.818,1040 4.787,1041 1,1042 5.784,1043 3.671,1044 4.344,1045 4.779,1046 3.855,1047 6.686,1048 4.209,1049 6.058,1050 1,1051 7.437,1052 2.275,1053 4.443,1054 4.796,1055 4.61,1056 8.102,1057 4.073,1058 7.413,1059 0.493,1060 9.206,1061 2.275,1062 6.151,1063 6.952,1064 6.149,1065 11.03,1066 5.847,1067 8.801,1068 -0.502,1069 11.04,1070 1.176,1071 6.948,1072 7.638,1073 7.39,1074 13.125,1075 6.417,1076 10.215,1077 -0.54,1078 12.911,1079 -1.203,1080 8.291,1081 9.391,1082 8.759,1083 15.713,1084 7.774,1085 11.646,1086 -1,1087 14.805,1088 -1.253,1089 9.331,1090 10.369,1091 10.084,1092 18.029,1093 8.629,1094 13.09,1095 -1,1096 16.714,1097 -3,1098 10.565,1099 11.944,1100 11.429,1101 20.518,1102 9.825,1103 3.319,1104 -1,1105 18.635,1106 -3,1107 11.693,1108 13.073,1109 12.768,1110 22.914,1111 10.806,1112 3.313,1113 11.66,1114 20.562,1115 -3,1116 12.892,1117 14.553,1118 14.11,1119 25.372,1120 11.936,1121 3.018,1122 11.658,1123 22.496,1124 3.93,1125 14.056,1126 15.769,1127 15.451,1128 27.799,1129 12.975,1130 2.474,1131 10.016,1132 24.434,1133 3.836,1134 15.245,1135 17.196,1136 16.793,1137 30.249,1138 14.08,1139 1.904,1140 7.585,1141 26.375,1142 3.505,1143 16.423,1144 18.464,1145 18.134,1146 32.689,1147 15.145,1148 1.628,1149 5.24,1150 28.319,1151 3.173,1152 17.611,1153 19.86,1154 19.476,1155 35.138,1156 16.241,1157 1.238,1158 4.767,1159 30.265,1160 2.443,1161 18.795,1162 21.161,1163 20.818,1164 37.584,1165 17.321,1166 6053,1167 14557,1168 14.909,1169 22.625,1170 39.911,1171 38.089,1172 39.934,1173 39.262,1174 38.774,1175 48.527,1176 19.883,1177 120.645,1178 36.017,1179 5.299,1180 6.46,1181 6.526,1182 5.19,1183 5.319,1184 6.93,1185 5.353,1186 18.845,1187 5.067,1188 17.55,1189 1.596,1190 1.524,1191 1.597,1192 1.57,1193 1.551,1194 1.941,1195 0.795,1196 4.826,1197 1.441,1198 4.005,1199 4.024,1200 3.965,1201 3.931,1202 8.517,1203 3.934,1204 3.899,1205 3.924,1206 3.861,1207 3.829,1208 8.509,1209 3.829,1210 3.526,1211 3.542,1212 3.525,1213 3.314,1214 7.999,1215 3.351,1216 3.311,1217 3.35,1218 3.331,1219 3.017,1220 7.999,1221 3.073,1222 3.111,1223 3.147,1224 3.085,1225 2.735,1226 7.999,1227 2.814,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 7.999,1233 2.715,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 7.428,1239 2.715,1240 2.682,1241 2.705,1242 2.611,1243 2.323,1244 6.444,1245 2.395,1246 0.179,1247 0.178,1248 0.284,1249 0.168,1250 0.133,1251 4.466,1252 0.157,1253 4.46,1254 0.153,1255 7.112,1256 0.466,1257 4.19,1258 0.123,1259 3.319,1260 3.93,1261 3.825,1262 11.66,1263 3.067,1264 1.959,1265 1.941,1266 2.048,1267 2.05,1268 1.184,1269 2.047,1270 1.882,1271 1.86,1272 1.98,1273 1.973,1274 1.088,1275 1.973,1276 1.384,1277 1.372,1278 1.48,1279 1.629,1280 0.632,1281 1.567,1282 1.084,1283 1.059,1284 1.181,1285 1.42,1286 0.241,1287 1.315,1288 0.886,1289 0.821,1290 1.181,1291 1.268,1292 0.218,1293 1.169,1294 0.886,1295 0.821,1296 1.14,1297 1.062,1298 0.218,1299 1.107,1300 0.849,1301 0.814,1302 0.964,1303 1.062,1305 1.107,1306 0.462,1307 0.423,1308 0.631,1309 0.887,1311 0.812,1312 3.932,1314 5.313,1316 6.87,1318 8.492,1320 10.145,1324 74.728,1327 9.912,1332 -1.774,1334 -9.117,1340 23.944,1341 58.245,1342 102.709,1343 111.954,1344 127.954,1345 139.464,1346 141.464,1347 98.044,1348 6.557,1349 37.3,1350 37.3,1351 12,1352 12.322,1353 3.807,1354 3,1355 48.71,1356 90,1357 72,1358 0.269,1359 144.151,1360 274.36,1361 343.488,1362 5117,1363 17.6,1364 18.121,1365 0.755,1366 0.492,1367 13.121,1368 11.819,1369 10.998,1370 0.44,1371 0.263,1372 6.383,1373 10.279,1374 6.367,1375 5.164,1376 8.575,1377 6.566,1378 11.674,1379 0.307,1380 0.131,1381 7.758,1382 4.962,1383 8.31,1384 0.189,1385 0.075,1386 6.438,1387 3.299,1388 5.881,1389 0.123,1390 0.041,1391 4.482,1392 1.987,1393 4.137,1394 0.074,1395 0.023,1396 3.565,1397 1.26,1398 0.425,1399 71.643,1400 0.259,1401 23.555,1402 0.728,1403 126,1404 796.552,1405 164.241,1406 600.87,1407 737.22,1408 548,1409 145,1410 472.909,1411 170.714,1412 440.471,1413 682.69,1414 411,1415 4}
{0 CHEMBL394865,1 1.372,2 23.87,3 6.559,4 43.024,5 193.321,6 6.206,7 0.25,8 4.661,9 4.799,10 4.05,11 4.142,12 5.632,13 4.086,14 5.236,15 5.454,16 4.312,17 4.504,18 6.112,19 4.411,20 5.493,21 5.746,22 4.395,23 4.665,24 6.345,25 4.537,26 5.593,27 5.863,28 4.348,29 4.713,30 6.383,31 4.552,32 5.655,33 5.937,34 4.317,35 4.743,36 6.445,37 4.563,38 5.635,39 5.913,40 4.263,41 4.728,42 6.389,43 4.542,44 5.642,45 5.934,46 4.208,47 4.668,48 6.389,49 4.484,50 5.53,51 5.802,52 4.119,53 4.598,54 6.301,55 4.412,56 0.108,57 1.393,58 24.903,59 9.894,60 16.189,61 14.169,62 0.389,63 2.181,64 44.218,65 15.123,66 39.509,67 22.725,68 0.583,69 2.644,70 56.562,71 19.418,72 64.499,73 29.311,74 0.6,75 2.817,76 61.775,77 21.727,78 64.159,79 32.714,80 0.818,81 2.89,82 65.534,83 23.467,84 88.579,85 34.853,86 0.531,87 2.854,88 63.913,89 23.177,90 64.581,91 34.457,92 0.755,93 2.745,94 64.937,95 22.147,96 74.222,97 32.99,98 0.58,99 2.503,100 58.039,101 20.58,102 62.948,103 30.286,104 53,105 60,106 0.201,107 0.476,108 0.685,109 0.774,110 0.798,111 0.814,112 3.852,113 1.069,114 -4.38,115 -4.31,116 -4.07,121 37.3,122 2,123 8,126 2,127 8,137 2,140 2,144 8,145 2,146 2,158 2,176 14,180 13,185 3,187 12,191 1,192 13,196 1,197 3,200 7,206 7,209 2,211 1,214 8,218 2,219 6,222 2,224 2,227 16,232 2,237 2,239 16,243 1,244 7,247 1,249 3,251 18,256 5,261 3,264 10,269 8,274 4,277 5,281 6096,282 31.584,283 31.584,284 31.584,285 31.584,286 31.584,287 29.356,288 43.84,289 19.512,290 32.357,291 23.498,292 23.498,293 23.498,294 23.498,295 23.498,296 19.979,297 58.616,298 9.056,299 24.463,300 5.3,301 3.422,302 1.99,303 1.385,304 1.221,305 1.108,306 4.538,312 1,313 2274,314 5.477,318 626.383,325 4.321,326 35.844,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 98,338 1098,339 4.381,340 3.581,341 6.25,342 3.974,343 2.988,344 3.846,345 0.916,346 9.366,347 2.947,348 4.082,349 3.044,350 5.741,351 3.711,352 2.744,353 3.674,354 0.916,355 7.96,356 2.657,357 4.082,358 3.044,359 5.673,360 3.711,361 2.744,362 3.674,363 0.86,364 7.96,365 2.657,366 3.773,367 2.889,368 5.673,369 3.393,370 2.423,371 3.014,372 0.86,373 7.583,374 2.34,375 3.531,376 2.775,377 5.292,378 3.34,379 2.414,380 2.695,381 0.6,382 6.786,383 2.232,384 3.531,385 2.775,386 5.292,387 3.34,388 2.412,389 2.695,390 0.4,391 6.786,392 2.232,393 3.266,394 2.437,395 4.814,396 2.914,397 1.952,398 2.385,399 0.172,400 5.407,401 1.875,402 3.187,403 2.264,404 4.814,405 2.913,406 1.951,407 2.286,408 0.172,409 5.407,410 1.872,411 3.186,412 2.264,413 4.559,414 2.804,415 1.822,416 2.285,418 4.72,419 1.777,420 2.859,421 1.951,422 3.929,423 2.778,424 1.801,425 1.854,427 3.719,428 1.751,429 2.779,430 1.777,431 3.826,432 2.652,433 1.663,434 1.789,436 3.589,437 1.637,438 2.675,439 1.651,440 3.664,441 2.357,442 1.391,443 1.748,445 2.99,446 1.339,447 2.669,448 1.359,449 3.5,450 2.238,451 1.253,452 1.733,454 2.669,455 1.232,456 2.569,457 1.34,458 3.495,459 2.2,460 1.212,461 1.495,463 2.629,464 1.195,465 2.294,466 1.296,467 3.412,468 2.185,469 1.197,470 1.272,472 2.561,473 1.18,474 21.933,475 0.477,476 0.724,477 0.016,478 47,479 1.022,480 19,481 0.413,482 28,483 0.609,484 54.189,485 1.178,486 53.667,487 0.526,488 38.289,489 0.832,490 9.146,491 0.199,492 13.302,493 0.289,494 0.122,496 0.219,501 0.882,502 1.51,503 1.003,504 1.322,505 0.758,506 1.196,507 1.181,508 1.17,509 1.07,510 1.061,511 0.679,512 1.042,513 0.94,514 1.1,515 1.003,516 1.041,517 0.767,518 1.023,519 0.794,520 1.097,521 1.005,522 1.084,523 0.79,524 1.066,525 0.785,526 0.949,527 0.976,528 0.983,529 0.859,530 1.001,531 0.839,532 1.093,533 1.041,534 1.111,535 1.12,536 1.102,537 1.121,538 0.85,539 1.026,540 0.913,541 1.126,542 0.951,543 1.16,544 1.095,545 1.125,546 1.106,547 1.252,548 1.118,549 8,550 0.198,551 3.111,552 2.5,553 1.929,554 1.042,555 0.73,556 0.51,557 0.254,558 0.242,559 51162,560 110104,561 1.995,562 54.9,563 8,564 32,567 2,569 14,572 1.824,573 1.89,574 4.477,575 0.04,582 139.954,583 1.372,584 3.25,585 4.682,586 5.287,587 5.452,588 5.564,589 3.915,590 4.23,591 5.494,592 4.74,593 4906.26,594 9.688,595 116649,600 680.587,601 1.264,602 5.465,603 0.167,604 0.005,605 0.052,606 0.04,607 0.033,608 0.019,609 0.014,610 0.01,611 0.006,612 0.006,613 0.351,614 0.17,615 0.75,616 0.81,617 287.044,618 -0.001,619 -0.192,620 0.044,621 -0.084,622 -0.009,623 -0.026,624 -0.106,625 -0.004,626 -0.028,627 0.001,628 0.047,629 -0.001,630 0.016,631 -0.022,632 0.005,633 -0.021,634 0.099,635 -0.01,636 0.035,637 -0.066,638 -0.025,639 -0.076,640 0.038,641 -0.06,642 0.08,643 0.033,644 -0.004,645 0.011,646 0.072,647 -0.006,648 -0.038,649 -0.1,650 -0.076,651 -0.102,652 -0.099,653 -0.094,654 -0.075,655 0.103,656 -0.037,657 0.04,658 -0.091,659 0.012,660 -0.109,661 -0.124,662 -0.135,663 -0.104,664 -0.136,665 -0.123,666 1.813,667 5.62,668 0.391,669 94.805,670 0.987,671 1.134,672 3.149,673 9.913,674 0.624,675 3.892,676 4.111,677 4.29,678 4.443,679 4.595,680 4.533,681 4.511,682 4.466,683 4.419,684 4.369,685 13.935,686 0.575,687 632.98,688 3.892,689 5.38,690 6.176,691 6.997,692 7.808,693 8.635,694 9.453,695 10.283,696 11.105,697 11.938,698 3.9,700 1,701 2,707 1,715 8,720 4,722 12,739 2,741 102,743 16,744 2,745 48,747 104,748 38,749 12,750 4,751 8,752 6,756 3,757 3,763 2,770 8,772 18,773 20,777 4,782 1,784 2,785 1,786 4,793 56,794 8,795 2,796 8,802 4,808 1,809 4,829 3,839 1,841 1,849 4,853 1,855 2,857 1,859 3,864 4,868 46,875 1,876 16,877 1,878 2,881 2,893 3.9,895 1,896 1,898 2,901 24.333,902 18.883,903 10.889,904 6.765,907 2.769,908 1.349,909 0.919,910 17.739,911 10.699,912 4.078,913 4.511,914 4.952,915 5.367,916 5.786,917 5.762,918 5.791,919 5.786,920 5.762,921 5.665,922 0.938,923 63,924 17.102,926 6.806,927 0.026,929 7.562,931 33.639,933 26.441,936 2.062,937 94.833,941 635.64,942 198.806,943 41.045,945 89.828,948 198.806,949 725.468,950 41.045,951 39.417,952 37.122,953 112.773,954 78.475,955 61.892,957 635.64,959 635.64,960 239.851,961 89.828,964 470.844,965 254.623,968 95.817,969 122.324,970 21.709,972 635.64,973 130.873,974 198.806,977 635.64,978 64.627,979 140.428,980 18.011,981 106.614,982 635.64,983 130.873,984 198.806,986 0.549,987 0.318,988 0.165,989 0.09,990 19,991 10,992 0.221,993 23,995 1,996 5.845,997 398.608,999 18,1000 254.084,1005 37.496,1006 21.762,1007 14.148,1009 130.873,1010 16.539,1015 4.34,1017 60.694,1018 965.318,1019 58,1024 12.62,1026 2.984,1027 4.482,1028 0.777,1031 100.69,1032 115.626,1034 0.206,1035 0.487,1036 0.702,1037 0.792,1038 0.817,1039 0.834,1040 5.278,1041 1.951,1042 6.098,1043 5.407,1044 4.796,1045 5.198,1046 2.08,1047 6.786,1048 4.723,1049 6.408,1050 1.822,1051 7.579,1052 5.407,1053 4.111,1054 4.745,1055 0.57,1056 7.434,1057 3.992,1058 7.66,1059 1.801,1060 9.157,1061 4.72,1062 6.271,1063 7.191,1064 1.689,1065 10.474,1066 6.133,1067 8.946,1068 1.663,1069 10.792,1070 3.719,1071 6.431,1072 7.575,1073 0.674,1074 11.941,1075 6.247,1076 10.266,1077 1.391,1078 12.465,1079 3.589,1080 7.987,1081 9.475,1082 1.417,1083 14.465,1084 7.793,1085 11.609,1086 1.253,1087 14.164,1088 2.99,1089 8.569,1090 10.268,1091 0.66,1092 16.293,1093 8.339,1094 12.971,1095 1.212,1096 15.881,1097 2.669,1098 9.853,1099 11.918,1100 1.203,1101 18.622,1102 9.615,1103 2.988,1104 1.197,1105 17.611,1106 2.629,1107 10.66,1108 12.932,1109 0.611,1110 20.629,1111 10.396,1112 2.744,1113 9.366,1114 19.352,1115 2.561,1116 11.816,1117 14.449,1118 1.023,1119 22.882,1120 11.545,1121 2.744,1122 7.96,1123 21.101,1124 3.846,1125 12.743,1126 15.588,1127 0.55,1128 24.982,1129 12.453,1130 2.423,1131 7.96,1132 22.858,1133 3.674,1134 13.842,1135 17.028,1136 0.869,1137 27.207,1138 13.544,1139 2.414,1140 7.583,1141 24.621,1142 3.674,1143 14.833,1144 18.241,1145 0.487,1146 29.359,1147 14.52,1148 2.412,1149 6.786,1150 26.39,1151 3.014,1152 15.907,1153 19.636,1154 0.735,1155 31.576,1156 15.587,1157 1.952,1158 6.786,1159 28.164,1160 2.695,1161 16.933,1162 20.893,1163 0.427,1164 33.759,1165 16.6,1166 49892,1167 73406,1168 31.781,1169 63.637,1170 67.392,1171 68.717,1172 69.94,1173 66.855,1174 66.936,1175 80.507,1176 9.795,1177 173.241,1178 64.427,1179 5.347,1180 5.581,1181 6.114,1182 5.006,1183 4.988,1184 6.846,1185 1.776,1186 16.052,1187 4.947,1188 25.053,1189 1.404,1190 1.432,1191 1.457,1192 1.393,1193 1.395,1194 1.677,1195 0.204,1196 3.609,1197 1.342,1198 3.99,1199 4.03,1200 3.918,1201 3.891,1202 7.428,1203 3.891,1204 3.923,1205 3.956,1206 3.859,1207 3.845,1208 6.469,1209 3.843,1210 3.906,1211 3.934,1212 3.857,1213 3.795,1214 4.881,1215 3.808,1216 3.759,1217 3.823,1218 3.612,1219 3.622,1220 4.852,1221 3.609,1222 3.745,1223 3.8,1224 3.608,1225 3.616,1226 4.618,1227 3.604,1228 3.613,1229 3.689,1230 3.47,1231 3.425,1232 4.406,1233 3.424,1234 3.578,1235 3.65,1236 3.42,1237 3.402,1238 4.401,1239 3.397,1240 3.402,1241 3.487,1242 3.237,1243 3.22,1244 4.349,1245 3.209,1246 0.091,1247 0.075,1248 0.13,1249 0.083,1250 0.062,1251 4.381,1252 0.08,1253 3.581,1254 0.019,1255 6.25,1256 0.195,1257 3.974,1258 0.061,1259 2.988,1260 3.846,1261 0.916,1262 9.366,1263 2.947,1264 1.914,1265 1.887,1266 2.055,1267 2.034,1268 1.381,1269 2.042,1270 1.914,1271 1.887,1272 2.052,1273 2.031,1274 1.378,1275 2.039,1276 1.856,1277 1.829,1278 2.007,1279 2.004,1280 1.215,1281 1.999,1282 1.769,1283 1.707,1284 1.996,1285 1.932,1286 1.21,1287 1.957,1288 1.741,1289 1.685,1290 1.907,1291 1.9,1292 1.082,1293 1.913,1294 1.596,1295 1.52,1296 1.856,1297 1.812,1298 1.065,1299 1.83,1300 1.572,1301 1.499,1302 1.831,1303 1.776,1304 0.984,1305 1.799,1306 1.408,1307 1.325,1308 1.719,1309 1.63,1310 0.951,1311 1.664,1312 4.575,1314 5.82,1316 7.248,1318 8.764,1320 10.331,1322 7.807,1327 10.495,1328 15.95,1329 3.236,1330 10.693,1333 4.91,1340 58.642,1341 139.954,1342 331.543,1343 477.594,1344 539.303,1345 556.058,1346 567.568,1347 132.409,1348 7.93,1349 86.63,1350 86.63,1351 18,1352 12.511,1353 4.087,1354 3.459,1355 110.916,1356 391,1357 336,1358 0.13,1359 366.987,1360 659.84,1361 887.209,1362 45134,1364 32.987,1365 0.717,1366 0.622,1367 32.987,1368 28.601,1369 22.448,1370 0.468,1371 0.356,1372 16.898,1373 21.637,1374 16.385,1375 13.774,1376 22.448,1377 17.112,1378 18.27,1379 0.305,1380 0.199,1381 18.27,1382 11.915,1383 14.759,1384 0.205,1385 0.117,1386 14.759,1387 8.434,1388 11.244,1389 0.134,1390 0.067,1391 11.244,1392 5.616,1393 8.834,1394 0.09,1395 0.039,1396 8.834,1397 3.823,1398 0.223,1399 140.205,1400 0.177,1401 42.645,1402 0.313,1403 216,1404 566.624,1405 233.569,1406 541.7,1407 729.69,1408 510,1409 240,1410 513.786,1411 258.072,1412 525.079,1413 752.62,1414 490,1415 7.86}
{0 CHEMBL395018,1 1.669,2 7.3,3 3.942,4 15.539,5 62.938,6 10.854,7 0.571,8 3.405,9 3.461,10 3.239,11 3.019,12 4.93,13 3.073,14 3.855,15 3.926,16 3.637,17 3.33,18 5.482,19 3.408,20 4.158,21 4.269,22 3.873,23 3.349,24 6.202,25 3.478,26 4.078,27 4.188,28 3.699,29 3.12,30 6.098,31 3.295,32 3.884,33 3.961,34 3.562,35 2.946,36 6.131,37 3.124,38 3.658,39 3.736,40 3.35,41 2.882,42 5.71,43 3,44 3.645,45 3.783,46 3.239,47 2.784,48 5.559,49 2.891,50 3.545,51 3.727,52 3.039,53 2.459,54 5.659,55 2.578,56 0.331,57 0.637,58 0.956,59 2.435,60 69.223,61 1.759,62 0.581,63 1.011,64 1.801,65 3.862,66 120.899,67 2.79,68 1.206,69 1.482,70 7.047,71 5.242,72 241.532,73 4.012,74 1.189,75 1.059,76 7.697,77 4.658,78 246.614,79 2.944,80 1.09,81 0.771,82 5.866,83 3.566,84 234.128,85 1.797,86 0.701,87 0.727,88 3.184,89 2.971,90 148.483,91 1.835,92 0.743,93 0.954,94 4.332,95 3.225,96 143.612,97 2.299,98 0.849,99 0.951,100 5.705,101 3.014,102 157.048,103 2.322,104 37,105 30,106 0.325,107 0.519,108 0.62,109 0.721,110 0.721,111 0.721,112 3.058,113 0.772,114 -5.16,115 -5.06,116 -4.73,121 53.8,144 6,145 2,146 4,159 2,176 6,180 2,187 4,191 1,192 4,200 3,206 4,214 2,219 4,227 3,232 2,239 4,251 3,264 2,277 1,281 452,282 12.88,283 12.88,284 12.88,285 12.88,286 12.88,287 11.047,288 6.153,289 7.3,290 13.02,291 10.217,292 10.217,293 10.217,294 10.217,295 10.217,296 7.504,297 3.513,298 3.349,299 10.532,300 3.031,301 2.039,302 1.52,303 1,304 1,305 1,306 3.705,311 1,312 1,313 298,314 3,318 137.262,325 1.1,326 60.419,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 48,338 146,339 4.54,340 3.88,341 6.789,342 4.194,343 3.191,344 4.18,346 10.943,347 3.208,348 4.324,349 3.402,350 6.451,351 3.897,352 2.942,353 3.997,355 9.752,356 2.801,357 3.849,358 3.242,359 5.82,360 3.441,361 2.471,362 3.24,364 7.544,365 2.358,366 3.347,367 2.841,368 5.249,369 2.941,370 1.975,371 2.615,373 5.946,374 1.884,375 2.89,376 2.194,377 4.559,378 2.407,379 1.414,380 2.048,382 4,383 1.387,384 2.867,385 2.168,386 3.918,387 2.384,388 1.414,389 2.03,391 3.187,392 1.361,393 2.847,394 1.66,395 3.844,396 2.374,397 1.414,398 1.95,400 3.162,401 1.34,402 2.319,403 1.658,404 3.434,405 1.713,406 0.678,407 0.972,409 1.594,410 0.672,411 1.336,412 0.927,413 2.582,414 0.945,415 0.096,416 0.112,418 0.209,419 0.078,420 1.331,421 0.918,422 2.36,423 0.904,429 0.894,430 0.008,431 2.357,432 0.438,433 -0.532,434 -0.706,436 -1.239,437 -0.496,438 0.893,439 -0.057,440 2.151,441 0.429,442 -0.561,443 -0.792,445 -1.278,446 -0.536,447 0.214,448 -0.34,449 1.826,450 -0.221,451 -1.285,452 -1.622,454 -3.166,455 -1.149,456 -0.021,457 -0.783,458 1.443,459 -0.421,460 -1.328,461 -1.64,463 -3.291,464 -1.149,465 -0.066,466 -1.023,467 1.302,468 -0.479,469 -1.414,470 -1.927,472 -3.651,473 -1.298,474 8.81,475 0.44,476 0.656,477 0.033,478 27,479 1.35,480 15,481 0.75,482 12,483 0.6,484 11.98,485 0.599,486 21.79,487 0.838,488 22.336,489 1.117,490 5.961,491 0.298,492 3.47,493 0.173,494 0.205,496 0.454,499 4,501 0.553,502 0.735,503 0.48,504 0.856,505 0.588,506 0.775,507 0.712,508 0.945,509 0.618,510 1.1,511 0.739,512 0.996,513 0.856,514 0.973,515 0.737,516 1.063,517 0.851,518 0.952,519 1.306,520 1.097,521 1.173,522 1.013,523 1.317,524 0.932,525 1.186,526 0.892,527 1.163,528 0.775,529 1.241,530 0.796,531 0.928,532 0.987,533 0.94,534 0.989,535 0.962,536 1.014,537 1.105,538 1.227,539 1.147,540 1.15,541 1.068,542 1.189,543 1.169,544 1.234,545 1.36,546 1.152,547 1.085,548 1.29,549 4,551 3.556,552 2.125,553 1.467,554 0.639,555 0.367,556 0.25,557 0.14,558 0.031,559 3153,560 16397,561 1.911,562 23.1,564 6,572 1.623,573 1.714,574 2.922,575 -0.689,582 43.399,583 1.669,584 2.661,585 3.181,586 3.7,587 3.7,588 3.7,589 2.246,590 3.122,591 4.3,592 3.022,593 574.263,594 7.366,595 5789.37,597 1,599 1,600 122.211,601 1.571,602 4.201,603 0.19,605 0.119,606 0.063,607 0.052,608 0.027,609 0.018,610 0.015,611 0.012,612 0.008,613 0.503,614 0.83,615 1,616 0.737,617 86.968,618 0.007,619 0.022,620 0.001,621 0.031,622 -0.024,623 0.025,624 -0.047,625 -0.14,626 -0.009,627 -0.202,628 -0.069,629 -0.16,630 0.08,631 -0.028,632 0.198,633 -0.111,634 0.089,635 -0.002,636 -0.233,637 -0.116,638 -0.166,639 -0.054,640 -0.214,641 -0.011,642 -0.067,643 0.058,644 -0.251,645 0.166,646 -0.054,647 0.006,648 -0.017,649 -0.134,650 -0.113,651 -0.068,652 -0.014,653 -0.157,654 -0.083,655 -0.14,656 -0.112,657 -0.159,658 -0.09,659 -0.187,660 0.07,661 0.062,662 -0.047,663 -0.094,664 0.064,665 -0.162,666 3.178,667 5.392,668 0.6,669 11.8,670 1.082,671 1.148,672 3.934,673 15.475,674 0.71,675 3.091,676 3.434,677 3.714,678 3.85,679 3.97,680 3.85,681 3.829,682 3.761,683 3.638,684 3.555,685 4.668,686 0.754,687 282.2,688 3.091,689 4.635,690 5.493,691 6.368,692 7.241,693 8.118,694 8.995,695 9.873,696 10.752,697 11.631,715 6,720 6,722 12,727 2,740 4,741 26,743 14,744 2,745 21,747 27,748 14,749 12,750 6,751 6,752 2,756 2,757 2,772 14,777 2,782 2,786 2,790 1,791 4,793 6,794 6,796 6,808 1,809 2,829 2,859 2,866 4,868 20,892 4,893 7.7,896 2,901 11.667,902 4.905,903 4.444,904 1.441,907 2.211,908 1.358,909 0.976,910 3.671,911 8.385,912 3.401,913 4.025,914 4.62,915 5.08,916 5.529,917 5.533,918 5.716,919 5.82,920 5.915,921 6.157,922 0.8,923 34,924 7.68,926 3.738,927 0.026,929 9.067,931 12.61,933 10.072,936 3.567,937 71.333,941 70.627,942 109.98,945 50.29,946 59.84,948 109.98,949 120.916,950 59.84,953 56.857,954 60.557,955 42.855,956 59.84,957 70.627,959 70.627,960 109.98,961 110.13,964 130.467,965 50.29,969 109.98,972 130.467,973 50.29,974 109.98,977 70.627,978 53.122,979 56.857,981 110.13,982 70.627,983 110.13,984 109.98,986 0.597,987 0.374,988 0.179,989 0.087,990 14,991 8,992 0.111,993 3,995 1,996 3.02,997 147.798,999 12,1000 66.439,1005 13.952,1006 5.262,1007 2.489,1009 110.13,1010 5.353,1015 -7.325,1018 290.737,1019 29,1024 23.473,1028 -2.905,1031 28.123,1032 29.854,1034 0.355,1035 0.566,1036 0.677,1037 0.787,1038 0.787,1039 0.787,1040 4.635,1041 0.678,1042 5.517,1043 3.162,1044 4.111,1045 4.71,1047 6.372,1048 4.057,1049 5.882,1050 0.096,1051 7.13,1052 1.594,1053 3.892,1054 4.663,1056 7.398,1057 3.789,1058 7.216,1060 8.846,1061 0.209,1062 5.759,1063 6.948,1065 10.517,1066 5.676,1067 8.588,1068 -0.532,1069 10.617,1071 6.33,1072 7.679,1074 12.311,1075 6.211,1076 9.989,1077 -0.561,1078 12.421,1079 -1.239,1080 7.722,1081 9.474,1083 14.978,1084 7.622,1085 11.412,1086 -1.285,1087 14.248,1088 -1.278,1089 8.621,1090 10.551,1092 17.08,1093 8.502,1094 12.851,1095 -1.328,1096 16.09,1097 -3.166,1098 9.847,1099 12.148,1101 19.58,1102 9.74,1103 3.191,1104 -1.414,1105 17.943,1106 -3.291,1107 10.882,1108 13.389,1110 21.822,1111 10.77,1112 2.942,1113 10.943,1114 19.805,1115 -3.651,1116 12.048,1117 14.895,1119 24.251,1120 11.945,1121 2.471,1122 9.752,1123 21.673,1124 4.18,1125 13.141,1126 16.218,1128 26.561,1129 13.041,1130 1.975,1131 7.544,1132 23.547,1133 3.997,1134 14.288,1135 17.679,1137 28.96,1138 14.196,1139 1.414,1140 5.946,1141 25.426,1142 3.24,1143 15.407,1144 19.045,1146 31.303,1147 15.322,1148 1.414,1149 4,1150 27.308,1151 2.615,1152 16.549,1153 20.484,1155 33.691,1156 16.473,1157 1.414,1158 3.187,1159 29.193,1160 2.048,1161 17.681,1162 21.873,1164 36.052,1165 17.614,1166 3277,1167 7556,1168 12.948,1169 18.466,1170 31.872,1171 35.456,1172 34.415,1173 31.309,1174 31.189,1175 42.289,1177 92.675,1178 30.179,1179 5.375,1180 5.88,1181 6.318,1182 5.194,1183 5.191,1184 7.18,1186 18.601,1187 5.208,1188 12.638,1189 1.518,1190 1.688,1191 1.639,1192 1.491,1193 1.485,1194 2.014,1196 4.413,1197 1.437,1198 3.995,1199 4.007,1200 3.976,1201 3.906,1202 8.243,1203 3.918,1204 3.876,1205 3.898,1206 3.848,1207 3.793,1208 8.236,1209 3.8,1210 3.405,1211 3.397,1212 3.386,1213 3.22,1214 8.161,1215 3.255,1216 2.93,1217 2.981,1218 2.882,1219 2.75,1220 8.161,1221 2.762,1222 2.93,1223 2.981,1224 2.873,1225 2.73,1226 7.496,1227 2.751,1228 2.901,1229 2.929,1230 2.85,1231 2.73,1232 7.352,1233 2.751,1234 2.595,1235 2.633,1236 2.546,1237 2.348,1238 4.535,1239 2.38,1240 2.283,1241 2.249,1242 2.275,1243 1.773,1244 4.505,1245 1.896,1246 0.216,1247 0.185,1248 0.323,1249 0.2,1250 0.152,1251 4.54,1252 0.199,1253 3.88,1255 6.789,1256 0.521,1257 4.194,1258 0.153,1259 3.191,1260 4.18,1262 10.943,1263 3.208,1264 1.927,1265 1.916,1266 1.992,1267 2.032,1268 1.081,1269 2.015,1270 1.842,1271 1.822,1272 1.928,1273 1.944,1274 1.012,1275 1.937,1276 1.286,1277 1.287,1278 1.361,1279 1.496,1280 0.348,1281 1.445,1282 0.84,1283 0.809,1284 1.037,1285 1.074,1286 0.112,1287 1.042,1288 0.829,1289 0.786,1290 0.999,1291 1.074,1292 0.03,1293 1.042,1294 0.828,1295 0.786,1296 0.968,1297 1.028,1298 0.013,1299 1.016,1300 0.474,1301 0.441,1302 0.675,1303 0.77,1305 0.742,1308 0.291,1309 0.471,1311 0.338,1312 3.761,1314 5.094,1316 6.637,1318 8.271,1320 9.945,1324 52.737,1340 19.597,1341 43.399,1342 69.192,1343 82.702,1344 96.211,1345 96.211,1346 96.211,1347 78.532,1348 6.174,1349 34.14,1350 34.14,1351 12,1352 12.167,1353 3.907,1354 3.17,1355 36.218,1356 56,1357 44,1358 0.33,1359 119.643,1360 224.98,1361 283.688,1362 3037,1363 15.4,1364 14.861,1365 0.743,1366 0.49,1367 11.38,1368 9.792,1369 9.43,1370 0.449,1371 0.257,1372 5.273,1373 8.874,1374 5.242,1375 4.285,1376 7.788,1377 5.402,1378 8.581,1379 0.286,1380 0.129,1381 6.514,1382 3.861,1383 7.72,1384 0.193,1385 0.065,1386 5.616,1387 2.599,1388 5.51,1389 0.12,1390 0.035,1391 4.179,1392 1.603,1393 3.973,1394 0.076,1395 0.019,1396 3.131,1397 0.963,1398 0.496,1399 61.201,1400 0.278,1401 19.462,1402 0.973,1403 102,1404 625.916,1405 121.531,1406 492.496,1407 610.8,1408 450,1409 121,1410 400.606,1411 141.571,1412 379.852,1413 561.16,1414 356,1415 4}
{0 CHEMBL395019,1 1.703,2 8.917,3 5.005,4 25.046,5 74.02,6 10.82,7 0.48,8 3.609,9 3.673,10 3.428,11 3.172,12 5.047,13 3.235,14 4.171,15 4.26,16 3.992,17 3.509,18 6.418,19 3.596,20 4.295,21 4.408,22 3.928,23 3.596,24 6.056,25 3.668,26 4.441,27 4.601,28 3.873,29 3.452,30 6.18,31 3.581,32 4.219,33 4.333,34 3.806,35 3.27,36 6.042,37 3.447,38 4.145,39 4.247,40 3.755,41 3.16,42 6.399,43 3.312,44 3.962,45 4.08,46 3.599,47 3.093,48 6.216,49 3.178,50 3.808,51 3.965,52 3.38,53 2.97,54 5.518,55 3.056,56 0.492,57 0.927,58 1.305,59 3.311,60 110.942,61 2.374,62 1.477,63 2,64 4.87,65 5.524,66 285.561,67 3.791,68 1.156,69 1.508,70 6.05,71 6.447,72 222.485,73 5.561,74 1.829,75 1.519,76 14.672,77 7.057,78 362.364,79 5.154,80 1.387,81 1.328,82 8.865,83 5.39,84 285.696,85 3.155,86 1.529,87 1.02,88 8.174,89 4.778,90 322.862,91 2.806,92 1.163,93 0.918,94 6.792,95 4.245,96 245.328,97 3.661,98 0.771,99 1.102,100 4.852,101 4.09,102 138.89,103 3.737,104 69,105 38,106 0.318,107 0.504,108 0.598,109 0.691,110 0.691,111 0.691,112 3.228,113 0.772,114 -5.88,115 -5.73,116 -5.34,121 50,134 2,144 8,145 4,159 2,176 12,180 2,187 12,191 1,192 6,200 7,206 8,214 4,219 6,227 8,232 2,239 10,251 8,264 4,277 1,281 772,282 14.72,283 14.72,284 14.72,285 14.72,286 14.72,287 13.229,288 10.657,289 8.222,290 15.175,291 12.284,292 12.284,293 12.284,294 12.284,295 12.284,296 9.857,297 8.897,298 3.855,299 13.143,300 3.297,301 2.297,302 1.797,303 1.297,304 1.297,305 1.297,306 3.875,311 1,312 1,313 432,314 4.472,318 173.19,325 1.431,326 75.367,329 0.75,330 0.83,331 1,332 0.4,333 0.5,334 1,335 1,336 0.78,337 59,338 214,339 4.516,340 4.461,341 7.12,342 4.223,343 3.333,344 4.036,345 3.825,346 11.712,347 3.169,348 4.453,349 4.46,350 7.117,351 4.18,352 3.319,353 3.875,354 3.825,355 11.695,356 2.905,357 4.262,358 3.835,359 6.521,360 3.992,361 2.998,362 3.523,364 10.003,365 2.788,366 3.81,367 2.987,368 5.715,369 3.438,370 2.46,371 3.127,373 7.659,374 2.364,375 3.317,376 2.321,377 4.83,378 2.868,379 1.901,380 2.55,382 5.312,383 1.794,384 2.981,385 2.269,386 4.579,387 2.544,388 1.587,389 2.121,391 4.555,392 1.484,393 2.657,394 1.607,395 4.257,396 2.188,397 1.21,398 1.684,400 3.442,401 1.161,402 2.574,403 1.604,404 3.527,405 2.097,406 1.118,407 1.604,409 2.565,410 1.081,411 2.554,412 1.15,413 3.476,414 2.063,415 1.059,416 1.568,418 2.462,419 1.058,420 2.208,421 1.15,422 3.205,423 1.543,424 0.428,425 0.714,427 1.007,428 0.472,429 0.797,430 0.51,431 2.734,432 0.345,433 -0.656,434 -0.888,436 -1.591,437 -0.649,438 0.794,439 0.51,440 2.715,441 0.342,442 -0.668,443 -0.922,445 -1.6,446 -0.666,447 0.626,448 0.51,449 2.309,450 0.168,451 -0.835,452 -1,454 -2.4,455 -0.7,456 0.622,457 0.51,458 2,459 0.168,460 -0.838,461 -1,463 -2.408,464 -0.7,465 0.195,466 -0.124,467 2,468 -0.239,469 -1,470 -1,472 -3,473 -0.7,474 10.381,475 0.433,476 1.088,477 0.045,478 29.5,479 1.229,480 15,481 0.625,482 14.5,483 0.604,484 16.81,485 0.7,486 27.419,487 0.857,488 28.522,489 1.188,490 6.443,491 0.268,492 4.555,493 0.19,494 0.229,495 0.096,496 0.289,498 6,501 0.572,502 0.787,503 0.487,504 0.935,505 0.668,506 0.836,507 0.407,508 0.574,509 0.527,510 0.896,511 0.444,512 0.949,513 0.619,514 0.863,515 0.675,516 1.2,517 0.598,518 1.195,519 1.265,520 0.974,521 1.282,522 0.941,523 1.269,524 0.978,525 1.33,526 1.054,527 1.157,528 1.012,529 1.385,530 0.908,531 1.015,532 0.901,533 1.169,534 0.836,535 1.054,536 0.978,537 0.487,538 0.817,539 0.703,540 0.9,541 0.49,542 1.048,543 0.808,544 1.247,545 0.783,546 1.4,547 0.722,548 1.337,549 8,550 0.223,551 4,552 2.25,553 1.52,554 1.292,555 0.571,556 0.392,557 0.247,558 0.209,559 5381,560 31017,561 1.861,562 25,564 8,572 1.671,573 1.655,574 3.18,575 -0.658,582 54.49,583 1.703,584 2.703,585 3.203,586 3.703,587 3.703,588 3.703,589 2.522,590 3.022,591 4.561,592 3.346,593 923.408,594 7.877,595 10791.7,597 1,600 160,601 1.855,602 4.433,603 0.32,604 0.019,605 0.105,606 0.059,607 0.045,608 0.04,609 0.02,610 0.016,611 0.012,612 0.013,613 0.65,614 0.67,615 0.88,616 1.018,617 113.295,618 0.007,619 0.02,620 0.001,621 0.03,622 -0.078,623 0.024,624 0.443,625 0.43,626 0.156,627 0.09,628 0.392,629 -0.108,630 0.041,631 -0.155,632 0.121,633 -0.269,634 0.08,635 -0.176,636 -0.327,637 -0.112,638 -0.21,639 0.008,640 -0.313,641 0.077,642 -0.389,643 -0.191,644 -0.242,645 -0.081,646 -0.399,647 0.004,648 0.014,649 0.019,650 -0.241,651 0.101,652 0.016,653 -0.113,654 0.374,655 -0.018,656 0.262,657 0.039,658 0.394,659 -0.032,660 -0.016,661 -0.385,662 0.209,663 -0.432,664 0.039,665 -0.225,666 5.963,667 4.987,668 0.5,669 17.861,670 1.091,671 1.168,672 4.647,673 21.594,674 0.683,675 3.258,676 3.664,677 3.807,678 3.932,679 4.143,680 4.143,681 4.205,682 4.043,683 3.989,684 4.007,685 5.682,686 0.732,687 346.24,688 3.258,689 4.844,690 5.673,691 6.572,692 7.426,693 8.318,694 9.181,695 10.069,696 10.936,697 11.822,715 8,720 4,722 12,727 2,741 32,743 14,744 2,745 25,747 33,748 16,749 12,750 4,751 8,752 2,756 2,757 2,763 2,769 2,772 14,773 2,777 2,782 2,786 2,791 6,793 8,794 8,796 8,808 1,809 2,829 2,859 2,866 6,868 24,882 2,892 6,893 6.3,896 2,901 14.5,902 5.857,903 5,904 1.721,907 2.195,908 1.335,909 0.965,910 4.533,911 8.752,912 3.526,913 4.127,914 4.649,915 5.107,916 5.623,917 5.752,918 6.039,919 5.981,920 6.101,921 6.36,922 0.833,923 38,924 10.17,926 5.701,927 0.026,929 9.271,931 14.971,933 12.05,936 3.771,937 90.5,941 94.169,942 114.338,945 50.29,946 89.761,948 114.338,949 144.459,950 89.761,953 75.81,954 60.557,955 102.503,957 94.169,958 15.519,959 94.169,960 114.338,961 140.051,964 94.169,965 140.051,968 15.519,969 98.819,972 183.929,973 50.29,974 114.338,977 109.688,978 23.009,979 75.81,981 140.051,982 94.169,983 140.051,984 114.338,986 0.615,987 0.334,988 0.147,989 0.082,990 18,991 10,992 0.091,993 3,995 1,996 3.33,997 189.423,999 12,1000 76.529,1005 17.752,1006 6.128,1007 4.042,1009 140.051,1010 6.246,1015 -3.366,1018 348.558,1019 33,1024 23.974,1028 -2.638,1031 34.916,1032 37.363,1034 0.341,1035 0.541,1036 0.641,1037 0.741,1038 0.741,1039 0.741,1040 4.812,1041 1.118,1042 5.784,1043 3.442,1044 4.344,1045 4.812,1046 3.706,1047 6.691,1048 4.232,1049 6.088,1050 1.059,1051 7.437,1052 2.565,1053 4.443,1054 4.844,1055 4.586,1056 8.102,1057 4.113,1058 7.446,1059 0.428,1060 9.207,1061 2.462,1062 6.151,1063 7.004,1064 6.111,1065 11.046,1066 5.893,1067 8.837,1068 -0.656,1069 11.042,1070 1.007,1071 6.948,1072 7.718,1073 7.382,1074 13.135,1075 6.489,1076 10.254,1077 -0.668,1078 12.914,1079 -1.591,1080 8.294,1081 9.469,1082 8.751,1083 15.735,1084 7.854,1085 11.69,1086 -0.835,1087 14.809,1088 -1.6,1089 9.336,1090 10.484,1091 10.082,1092 18.048,1093 8.742,1094 13.139,1095 -0.838,1096 16.72,1097 -2.4,1098 10.572,1099 12.056,1100 11.427,1101 20.545,1102 9.951,1103 3.333,1104 -1,1105 18.641,1106 -2.408,1107 11.704,1108 13.226,1109 12.767,1110 22.942,1111 10.966,1112 3.319,1113 11.712,1114 20.57,1115 -3,1116 12.906,1117 14.707,1118 14.11,1119 25.407,1120 12.116,1121 2.998,1122 11.695,1123 22.505,1124 4.036,1125 14.073,1126 15.963,1127 15.451,1128 27.836,1129 13.188,1130 2.46,1131 10.003,1132 24.443,1133 3.875,1134 15.265,1135 17.396,1136 16.793,1137 30.291,1138 14.318,1139 1.901,1140 7.659,1141 26.386,1142 3.523,1143 16.446,1144 18.701,1145 18.134,1146 32.734,1147 15.418,1148 1.587,1149 5.312,1150 28.331,1151 3.127,1152 17.638,1153 20.109,1154 19.476,1155 35.188,1156 16.543,1157 1.21,1158 4.555,1159 30.278,1160 2.55,1161 18.826,1162 21.444,1163 20.818,1164 37.638,1165 17.658,1166 5589,1167 13520,1168 14.909,1169 21.864,1170 40.264,1171 39.514,1172 39.89,1173 39.394,1174 38.829,1175 49.603,1176 15.301,1177 120.822,1178 36.551,1179 5.353,1180 6.461,1181 6.662,1182 5.223,1183 5.333,1184 7.036,1185 5.335,1186 19.043,1187 5.169,1188 17.138,1189 1.611,1190 1.581,1191 1.596,1192 1.576,1193 1.553,1194 1.984,1195 0.612,1196 4.833,1197 1.462,1198 4.008,1199 4.023,1200 3.976,1201 3.932,1202 8.517,1203 3.937,1204 3.899,1205 3.923,1206 3.862,1207 3.829,1208 8.509,1209 3.829,1210 3.498,1211 3.502,1212 3.514,1213 3.28,1214 7.999,1215 3.325,1216 3.313,1217 3.355,1218 3.329,1219 3.015,1220 7.999,1221 3.07,1222 3.207,1223 3.24,1224 3.177,1225 2.943,1226 7.999,1227 2.982,1228 2.871,1229 2.913,1230 2.772,1231 2.748,1232 7.999,1233 2.742,1234 2.654,1235 2.716,1236 2.53,1237 2.409,1238 7.496,1239 2.44,1240 2.582,1241 2.649,1242 2.48,1243 2.275,1244 7.352,1245 2.33,1246 0.181,1247 0.178,1248 0.285,1249 0.169,1250 0.133,1251 4.516,1252 0.161,1253 4.461,1254 0.153,1255 7.12,1256 0.468,1257 4.223,1258 0.127,1259 3.333,1260 4.036,1261 3.825,1262 11.712,1263 3.169,1264 1.956,1265 1.941,1266 2.036,1267 2.047,1268 1.14,1269 2.04,1270 1.882,1271 1.86,1272 1.979,1273 1.972,1274 1.085,1275 1.971,1276 1.335,1277 1.338,1278 1.385,1279 1.58,1280 0.4,1281 1.499,1282 1.095,1283 1.062,1284 1.205,1285 1.429,1286 0.267,1287 1.332,1288 1.046,1289 1.005,1290 1.204,1291 1.342,1292 0.255,1293 1.282,1294 0.863,1295 0.82,1296 1.088,1297 1.033,1298 0.17,1299 1.053,1300 0.551,1301 0.507,1302 0.786,1303 0.858,1305 0.846,1306 0.433,1307 0.365,1308 0.642,1309 0.789,1311 0.776,1312 3.932,1314 5.313,1316 6.87,1318 8.495,1320 10.155,1324 75.709,1334 -9.426,1340 23.417,1341 54.49,1342 86.49,1343 102.49,1344 118.49,1345 118.49,1346 118.49,1347 102.744,1348 6.557,1349 34.14,1350 34.14,1351 12,1352 12.357,1353 3.907,1354 3.17,1355 48.356,1356 82,1357 62,1358 0.296,1359 141.224,1360 271.72,1361 336.346,1362 5117,1363 18.8,1364 18.121,1365 0.755,1366 0.488,1367 13.121,1368 11.703,1369 10.998,1370 0.44,1371 0.257,1372 6.255,1373 10.279,1374 6.236,1375 5.07,1376 8.575,1377 6.435,1378 11.698,1379 0.308,1380 0.127,1381 7.782,1382 4.815,1383 8.196,1384 0.186,1385 0.071,1386 6.27,1387 3.11,1388 5.842,1389 0.117,1390 0.039,1391 4.776,1392 1.936,1393 4.692,1394 0.076,1395 0.02,1396 3.622,1397 1.264,1398 0.456,1399 71.643,1400 0.259,1401 23.125,1402 0.832,1403 126,1404 818.138,1405 164.241,1406 621.429,1407 762.86,1408 566,1409 145,1410 491.273,1411 170.714,1412 459.304,1413 709.16,1414 428,1415 4}
{0 CHEMBL395280,1 1.402,2 6.056,3 1.057,4 1.117,5 75.869,6 6.732,8 3.669,9 3.804,10 3.152,11 3.249,12 4.693,13 3.2,14 4.236,15 4.415,16 3.594,17 3.709,18 5.219,19 3.639,20 4.558,21 4.747,22 3.753,23 3.951,24 5.547,25 3.86,26 4.747,27 4.987,28 3.691,29 3.992,30 5.655,31 3.856,32 4.785,33 5.064,34 3.306,35 3.867,36 5.642,37 3.666,38 4.603,39 4.954,40 2.914,41 3.458,42 5.424,43 3.207,44 3.869,45 4.158,46 2.14,47 2.729,48 4.898,49 2.524,50 3.404,51 3.789,52 1.49,53 2.022,54 4.22,55 1.745,56 0.043,57 0.521,58 8.235,59 3.454,60 8.263,61 4.824,62 0.111,63 0.871,64 14.961,65 6.301,66 16.012,67 8.897,68 0.138,69 1.184,70 21.036,71 8.231,72 26.179,73 11.728,74 0.188,75 1.353,76 25.97,77 9.858,78 33.644,79 14.396,80 0.263,81 1.314,82 27.789,83 9.602,84 46.798,85 14.376,86 0.24,87 0.937,88 23.872,89 8.517,90 46.264,91 12.723,92 0.175,93 0.45,94 11.564,95 3.47,96 30.926,97 5.007,98 0.075,99 0.237,100 7.296,101 2.408,102 15.637,103 3.577,104 18,105 31,106 0.258,107 0.641,108 0.802,109 0.873,110 0.873,111 0.873,112 2.965,113 0.96,114 -3.53,115 -3.5,116 -3.34,121 41.7,122 2,123 2,124 1,132 1,137 4,138 3,140 1,160 1,165 1,166 1,167 1,176 10,180 1,183 1,185 6,187 14,189 3,192 1,197 6,200 14,203 4,206 2,210 1,211 8,213 1,214 16,216 5,219 1,224 2,227 8,232 3,234 1,235 1,237 2,239 4,244 2,256 2,281 296,282 11.867,283 11.867,284 11.867,285 11.867,286 11.867,287 10.666,288 17.096,289 6.614,290 11.908,291 9.797,292 9.797,293 9.797,294 9.797,295 9.797,296 8.064,297 23.076,298 3.022,299 9.865,300 3.768,301 1.689,302 0.82,303 0.431,304 0.431,305 0.431,306 3.633,311 1,312 1,313 232,314 2.646,318 95.642,320 40.675,322 53.911,324 64.36,325 0.963,326 16.387,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 38,338 109,339 4.821,340 4.101,341 7.922,342 4.647,343 3.661,344 4.127,345 1.345,346 14.911,347 3.61,348 4.021,349 3.479,350 6.179,351 3.635,352 2.649,353 3.343,354 1.081,355 8.703,356 2.61,357 3.663,358 2.892,359 5.812,360 3.434,361 2.443,362 2.866,363 0.68,364 7.983,365 2.419,366 3.484,367 2.713,368 5.112,369 3.136,370 2.133,371 2.67,372 0.639,373 6,374 2.138,375 3.389,376 2.565,377 4.948,378 3.014,379 1.995,380 2.436,381 0.473,382 5.647,383 2.022,384 2.691,385 1.483,386 4.286,387 2.234,388 1.254,389 1.574,391 3.446,392 1.226,393 2.343,394 1.375,395 3.876,396 1.984,397 0.99,398 1.198,400 2.261,401 0.983,402 1.531,403 0.765,404 3.259,405 1.132,406 0.128,407 0.154,409 0.359,410 0.128,411 1.061,412 0.442,413 2.975,414 0.868,415 -0.134,416 -0.141,418 -0.223,419 -0.134,420 0.877,421 0.393,422 2.668,423 0.691,424 -0.327,425 -0.418,427 -0.812,428 -0.328,429 0.587,430 -0.029,431 2.457,432 0.476,433 -0.502,434 -0.513,436 -1.433,437 -0.491,438 0.376,439 -0.399,440 2.333,441 0.172,442 -0.815,443 -0.918,445 -2.179,446 -0.801,447 0.186,448 -0.706,449 2.177,450 -0.125,451 -1.158,452 -1.364,454 -3.196,455 -1.19,457 -0.998,458 1.927,459 -0.328,460 -1.313,461 -1.485,463 -3.808,464 -1.286,465 -0.266,466 -1.048,467 1.467,468 -0.48,469 -1.459,470 -1.68,471 -0.335,472 -4.695,473 -1.447,474 8.633,475 0.48,476 0.63,477 0.035,478 17.5,479 0.972,480 6.5,481 0.361,482 11,483 0.611,484 18.051,485 1.003,486 19.567,487 0.544,488 11.256,489 0.625,490 3.263,491 0.181,492 5.279,493 0.293,494 0.201,495 0.058,496 0.347,501 0.809,502 1.06,503 0.903,504 0.963,505 0.747,506 0.935,507 0.457,508 1.093,509 0.752,510 0.98,511 0.479,512 0.912,513 0.952,514 1.222,515 1.064,516 1.139,517 0.884,518 1.115,519 0.7,520 1.192,521 1.032,522 1.159,523 0.628,524 1.133,525 1.039,526 1.054,527 1.265,528 1.144,529 0.967,530 1.204,531 0.555,532 0.725,533 0.652,534 0.77,535 0.602,536 0.734,537 2.266,538 0.842,539 1.388,540 0.968,541 2.278,542 1.073,543 1.007,544 0.466,545 0.463,546 0.515,547 1.153,548 0.454,549 5.5,551 3.111,552 2.375,553 1.631,554 0.826,555 0.223,556 0.146,559 2254,560 5185,561 2.04,562 50,563 7,564 4,567 3,569 4,572 1.598,573 1.846,574 2.588,575 1.088,577 1,579 1,582 50.455,583 1.402,584 3.481,585 4.35,586 4.739,587 4.739,588 4.739,589 2.224,590 3.642,591 4.141,592 2.674,593 409.179,594 7.083,595 3662.13,596 1,597 1,600 186.117,601 1.772,602 4.059,603 0.275,605 0.1,606 0.068,607 0.053,608 0.046,609 0.019,610 0.036,613 0.597,614 1,615 1,616 0.946,617 72.565,618 -0.091,619 0.15,620 0.025,621 0.124,622 -0.118,623 0.097,624 0.196,625 0.005,626 0.177,627 0.091,628 0.115,629 0.123,630 -0.097,631 -0.124,632 -0.118,633 -0.108,634 -0.066,635 -0.115,636 0.02,637 -0.173,638 -0.087,639 -0.168,640 0.033,641 -0.146,642 -0.168,643 -0.076,644 -0.3,645 -0.211,646 -0.16,647 -0.256,648 0.248,649 0.058,650 0.326,651 0.155,652 0.219,653 0.235,654 -0.361,655 0.032,656 -0.326,657 -0.097,658 -0.29,659 -0.189,660 0.201,661 0.198,662 0.566,663 0.364,664 0.233,665 0.486,666 1.708,667 4.454,668 0.722,669 9.21,670 0.989,671 1.126,672 2.298,673 5.283,674 0.654,675 3.045,676 3.466,677 3.807,678 4.174,679 4.431,680 4.605,681 4.615,682 4.71,683 4.522,684 4.443,685 3.758,686 0.61,687 242.35,688 3.045,689 4.635,690 5.533,691 6.482,692 7.402,693 8.357,694 9.284,695 10.242,696 11.17,697 12.129,698 5.6,699 1,705 1,741 36,743 5,745 20,747 38,748 15,752 5,756 3,757 6,763 2,767 2,768 2,770 2,772 9,773 6,774 2,777 5,782 1,784 4,786 5,790 1,793 18,794 3,795 3,796 3,802 2,808 0.333,809 1,829 3,831 1,833 1,835 1,843 1,849 5,850 3,851 1,859 1,864 2,868 18,869 1,876 2,877 1,880 1,882 1,893 2.8,896 1,901 9.75,902 6.917,903 3.847,904 2.201,907 1.319,908 1.195,909 0.976,910 2.44,911 8.081,912 3.258,913 3.829,914 4.331,915 4.836,916 5.298,917 5.617,918 5.775,919 6.023,920 6.031,921 6.114,922 1,923 35,924 6.692,926 2.954,927 0.026,929 7.69,931 13.019,933 11.43,936 2.19,937 39.417,938 0.002,941 176.567,942 77.643,943 50.908,945 25.145,948 77.643,949 201.711,950 50.908,951 17.65,952 55.977,953 37.905,954 32.606,955 9.557,957 176.567,959 176.567,960 128.551,961 25.145,964 129.482,965 72.229,968 73.627,969 14.261,970 40.662,972 176.567,973 76.053,974 77.643,977 176.567,978 22.087,979 55.555,980 18.011,981 58.042,982 176.567,983 76.053,984 77.643,986 0.602,987 0.37,988 0.22,989 0.12,990 18,991 8,994 3,995 1.385,996 2.828,997 143.645,998 0.462,999 12,1000 75.059,1005 11.638,1006 3.774,1007 1.587,1009 76.053,1017 50.908,1018 330.262,1019 25,1024 11.454,1026 7.9,1028 4.668,1031 35.6,1032 40.528,1034 0.271,1035 0.673,1036 0.841,1037 0.917,1038 0.917,1039 0.917,1040 4.585,1041 0.128,1042 5.609,1043 2.261,1044 4.143,1045 4.511,1046 2.148,1047 6.589,1048 4.127,1049 5.841,1050 -0.134,1051 7.283,1052 0.359,1053 4.111,1054 4.511,1055 0.747,1056 8.052,1057 4.079,1058 7.211,1059 -0.327,1060 9.075,1061 -0.223,1062 5.948,1063 6.637,1064 2.236,1065 11.214,1066 5.907,1067 8.612,1068 -0.502,1069 10.944,1070 -0.812,1071 6.698,1072 7.378,1073 1.313,1074 13.518,1075 6.636,1076 10.046,1077 -0.815,1078 12.864,1079 -1.433,1080 8.131,1081 9.055,1082 2.516,1083 16.337,1084 8.058,1085 11.504,1086 -1.158,1087 14.822,1088 -2.179,1089 9.216,1090 10.146,1091 1.919,1092 18.921,1093 9.123,1094 12.984,1095 -1.313,1096 16.809,1097 -3.196,1098 10.535,1099 11.651,1100 2.891,1101 21.655,1102 10.43,1103 3.661,1104 -1.459,1105 18.816,1106 -3.808,1107 11.752,1108 12.913,1109 2.541,1110 24.321,1111 11.63,1112 2.649,1113 14.911,1114 20.839,1115 -4.695,1116 13.046,1117 14.354,1118 3.327,1119 27.033,1120 12.91,1121 2.443,1122 8.703,1123 22.873,1124 4.127,1125 14.312,1126 15.696,1127 3.164,1128 29.724,1129 14.162,1130 2.133,1131 7.983,1132 24.916,1133 3.343,1134 15.604,1135 17.116,1136 3.807,1137 32.429,1138 15.439,1139 1.995,1140 6,1141 26.966,1142 2.866,1143 16.889,1144 18.496,1145 3.782,1146 35.128,1147 16.71,1148 1.254,1149 5.647,1150 29.021,1151 2.67,1152 18.182,1153 19.91,1154 4.32,1155 37.831,1156 17.989,1157 0.99,1158 3.446,1159 31.079,1160 2.436,1161 19.474,1162 21.307,1163 4.395,1164 40.532,1165 19.268,1166 2294,1167 3539,1168 12.83,1169 23.557,1170 31.886,1171 31.515,1172 33.187,1173 30.515,1174 30.503,1175 36.735,1176 8.436,1177 98.619,1178 30.274,1179 5.786,1180 6.007,1181 7.416,1182 5.686,1183 5.661,1184 6.872,1185 2.463,1186 23.514,1187 5.61,1188 9.565,1189 1.594,1190 1.576,1191 1.659,1192 1.526,1193 1.525,1194 1.837,1195 0.422,1196 4.931,1197 1.514,1198 4.07,1199 4.101,1200 4.013,1201 4,1202 7.43,1203 3.999,1204 3.699,1205 3.735,1206 3.632,1207 3.581,1208 5.041,1209 3.587,1210 3.449,1211 3.515,1212 3.301,1213 3.338,1214 4.535,1215 3.321,1216 3.254,1217 3.332,1218 3.093,1219 3.112,1220 4.363,1221 3.096,1222 3.201,1223 3.281,1224 3.068,1225 3.001,1226 4.179,1227 3.008,1228 2.833,1229 2.926,1230 2.702,1231 2.641,1232 3.839,1233 2.619,1234 2.821,1235 2.881,1236 2.608,1237 2.54,1238 3.555,1239 2.578,1240 2.647,1241 2.781,1242 2.319,1243 2.363,1244 3.285,1245 2.332,1246 0.241,1247 0.205,1248 0.396,1249 0.232,1250 0.183,1251 4.821,1252 0.206,1253 4.101,1254 0.067,1255 7.922,1256 0.746,1257 4.647,1258 0.181,1259 3.661,1260 4.127,1261 1.345,1262 14.911,1263 3.61,1264 2.038,1265 2.011,1266 2.147,1267 2.132,1268 1.465,1269 2.138,1270 1.666,1271 1.633,1272 1.811,1273 1.82,1274 0.948,1275 1.816,1276 1.476,1277 1.416,1278 1.751,1279 1.643,1280 0.84,1281 1.684,1282 1.27,1283 1.202,1284 1.559,1285 1.467,1286 0.788,1287 1.498,1288 1.164,1289 1.092,1290 1.462,1291 1.437,1292 0.566,1293 1.454,1294 0.84,1295 0.758,1296 1.177,1297 1.096,1298 0.295,1299 1.134,1300 0.728,1301 0.663,1302 1.083,1303 1.053,1304 0.165,1305 1.06,1306 0.638,1307 0.524,1308 0.952,1309 0.971,1311 0.986,1312 3.714,1314 5.106,1316 6.725,1318 8.466,1320 10.271,1322 4.187,1326 6.676,1328 1.684,1329 2.949,1332 0.333,1334 -0.434,1340 21.972,1341 50.455,1342 125.309,1343 156.608,1344 170.608,1345 170.608,1346 170.608,1347 28.994,1348 6.762,1349 58.88,1350 58.88,1351 18,1352 12.618,1353 2.585,1354 2.585,1355 25.402,1356 41,1357 42,1358 0.339,1359 135.423,1360 248.57,1361 322.193,1362 6120,1364 12.914,1365 0.717,1366 0.599,1367 12.914,1368 10.787,1369 8.542,1370 0.427,1371 0.32,1372 6.359,1373 8.379,1374 6.103,1375 5.073,1376 8.542,1377 6.399,1378 8.346,1379 0.269,1380 0.175,1381 8.346,1382 5.431,1383 7.047,1384 0.16,1385 0.095,1386 7.047,1387 4.174,1388 6.708,1389 0.105,1390 0.056,1391 6.708,1392 3.572,1393 5.107,1394 0.062,1395 0.029,1396 5.107,1397 2.446,1398 0.482,1399 52.487,1400 0.279,1401 17.09,1402 1.098,1403 102,1404 227.381,1405 107.628,1406 227.864,1407 316.22,1408 212,1409 126,1410 237.735,1411 131.158,1412 245.451,1413 363.77,1414 231,1415 7.338}
{0 CHEMBL395652,1 1.22,2 8.455,3 6.037,4 36.448,5 92.32,6 6.691,7 0.522,8 3.815,9 3.932,10 3.278,11 3.443,12 4.901,13 3.375,14 4.341,15 4.538,16 3.654,17 3.814,18 5.342,19 3.737,20 4.508,21 4.64,22 3.832,23 4.002,24 5.762,25 3.922,26 4.777,27 4.991,28 3.869,29 4.053,30 5.911,31 3.954,32 4.787,33 4.955,34 3.646,35 3.961,36 6.085,37 3.843,38 4.833,39 5.148,40 3.416,41 3.773,42 5.807,43 3.618,44 4.233,45 4.383,46 3.385,47 3.674,48 5.376,49 3.571,50 4.459,51 4.666,52 2.973,53 3.706,54 5.398,55 3.483,56 0.028,57 0.526,58 9.414,59 4.586,60 5.233,61 6.106,62 0.077,63 0.867,64 16.731,65 7.575,66 9.482,67 10.303,68 0.185,69 1.028,70 19.633,71 8.889,72 37.553,73 11.78,74 0.149,75 1.294,76 26.767,77 11.2,78 28.094,79 15.088,80 0.338,81 1.25,82 27.939,83 10.507,84 82.905,85 13.263,86 0.405,87 1.267,88 30.539,89 10.933,90 87.973,91 14.914,92 0.128,93 0.765,94 15.161,95 6.583,96 26.966,97 8.624,98 0.136,99 0.956,100 19.218,101 8.372,102 35.561,103 11.433,104 65,105 34,106 0.213,107 0.445,108 0.467,109 0.489,110 0.554,111 0.554,112 3.147,113 0.974,114 -5.57,115 -5.44,116 -5.08,121 45.5,122 6,144 4,145 8,159 2,176 18,180 2,187 24,191 1,192 6,200 19,206 12,214 16,219 10,227 12,232 4,239 18,244 2,251 22,264 12,277 9,281 584,282 13.776,283 13.776,284 13.776,285 13.776,286 13.776,287 11.892,288 16.3,289 7.716,290 13.728,291 11.249,292 11.249,293 11.249,294 11.249,295 11.249,296 8.355,297 21.367,298 3.59,299 11.14,300 4.24,301 2.911,302 2.786,303 2.66,304 2.285,305 2.285,306 3.791,312 1,313 378,314 3.162,318 153.29,325 1.14,326 22.952,329 0.75,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.86,337 46,338 186,339 4.601,340 3.882,341 6.919,342 4.272,343 3.253,344 4.266,346 11.445,347 3.315,348 4.389,349 3.246,350 6.579,351 4.007,352 3.004,353 4.089,355 10.252,356 3.012,357 3.827,358 2.925,359 5.562,360 3.454,361 2.43,362 3.237,364 7.06,365 2.482,366 3.489,367 2.676,368 5.075,369 3.127,370 2.123,371 2.82,373 6.04,374 2.131,375 3.232,376 2.228,377 4.879,378 2.879,379 1.879,380 2.481,382 5.225,383 1.879,384 3.232,385 2.201,386 4.879,387 2.879,388 1.879,389 2.481,391 5.225,392 1.879,393 3.183,394 2.147,395 4.862,396 2.813,397 1.79,398 2.374,400 5.085,401 1.824,402 2.482,403 2.147,404 3.925,405 2.007,406 0.934,407 1.261,409 2.383,410 0.994,411 1.345,412 0.622,413 3,414 1.022,420 1.329,421 0.561,422 2.653,423 0.89,424 -0.194,425 -0.292,427 -0.461,428 -0.209,429 1,430 -0.11,431 2.653,432 0.653,433 -0.347,434 -0.445,436 -0.898,437 -0.347,438 1,439 -0.11,440 2.511,441 0.653,442 -0.347,443 -0.445,445 -0.898,446 -0.347,447 0.443,448 -0.199,449 2,450 0.314,451 -0.688,452 -0.752,454 -1.508,455 -0.689,456 0.429,457 -0.201,458 1.544,459 0.314,460 -0.69,461 -0.76,463 -1.509,464 -0.693,465 0.174,466 -0.454,467 1.468,468 -0.217,469 -1.324,470 -1.824,472 -3.388,473 -1.446,474 10.667,475 0.485,476 0.868,477 0.039,478 27,479 1.227,480 15,481 0.682,482 12,483 0.545,484 20.558,485 0.934,486 23.533,487 0.535,488 20.063,489 0.912,490 5.392,491 0.245,492 4.826,493 0.219,494 0.344,496 0.469,501 0.493,502 1.051,503 0.888,504 1.05,505 0.567,506 1.014,507 0.509,508 0.759,509 0.611,510 0.748,511 0.513,512 0.697,513 0.699,514 1.271,515 1.053,516 1.263,517 0.763,518 1.202,519 0.944,520 1.119,521 0.861,522 1.092,523 0.898,524 0.985,525 2.45,526 1.428,527 1.625,528 1.418,529 2.45,530 1.437,531 1.729,532 0.401,533 0.733,534 0.397,535 1.722,536 0.457,537 1.395,538 1.159,539 1.304,540 1.169,541 1.321,542 1.22,543 0.985,544 1.565,545 1.655,546 1.597,547 1.024,548 1.679,549 6,550 0.041,551 3.111,552 3.25,553 1.849,554 0.806,555 0.731,556 0.236,557 0.311,558 0.04,559 3963,560 8919,561 1.869,562 50,563 18,564 4,572 1.651,573 1.65,574 3.007,575 -0.896,582 53.669,583 1.22,584 2.549,585 2.674,586 2.799,587 3.175,588 3.175,589 2.369,590 2.914,591 4.435,592 3.126,593 722.057,594 7.645,595 7698.02,600 240.215,601 1.495,602 4.316,603 0.261,604 0.021,605 0.092,606 0.086,607 0.049,608 0.031,609 0.03,610 0.01,611 0.026,612 0.004,613 0.609,614 0.83,615 0.88,616 0.733,617 98.99,618 0.001,619 0.027,620 0.019,621 0.027,622 -0.069,623 0.025,624 0.089,625 0.268,626 0.328,627 0.282,628 0.075,629 0.322,630 0.209,631 -0.222,632 -0.105,633 -0.222,634 0.151,635 -0.198,636 0.103,637 -0.128,638 0.121,639 -0.104,640 0.146,641 -0.005,642 -0.318,643 -0.442,644 -0.559,645 -0.462,646 -0.295,647 -0.524,648 -0.126,649 0.518,650 0.328,651 0.516,652 -0.122,653 0.474,654 -0.231,655 -0.125,656 -0.332,657 -0.148,658 -0.149,659 -0.236,660 -0.235,661 -0.573,662 -0.722,663 -0.604,664 -0.261,665 -0.696,666 2.079,667 5.738,668 0.545,669 13.95,670 0.986,671 1.113,672 4.338,673 18.822,674 0.666,675 3.178,676 3.555,677 3.807,678 4.078,679 4.111,680 4.143,681 3.97,682 3.892,683 3.97,684 3.714,685 4.931,686 0.619,687 294.42,688 3.178,689 4.745,690 5.602,691 6.509,692 7.377,693 8.286,694 9.159,695 10.068,696 10.945,697 11.852,715 4,720 8,722 12,727 2,741 44,743 14,744 2,745 23,747 45,748 20,749 12,750 8,751 4,752 2,756 2,757 2,763 6,772 14,773 6,777 2,782 2,786 2,793 22,794 2,796 2,808 1,809 2,829 2,859 2,864 6,868 22,893 4.5,896 2,901 13.333,902 10.167,903 4.778,904 2.688,907 2.254,908 1.353,909 0.946,910 4.325,911 8.637,912 3.466,913 4.127,914 4.705,915 5.259,916 5.639,917 5.828,918 5.77,919 5.955,920 6.178,921 6.306,922 0.833,923 38,924 8.202,926 3.431,927 0.026,929 7.803,931 15.573,933 12.454,936 2.303,937 50.667,941 258.964,942 126.608,945 50.29,948 126.608,949 309.254,951 52.951,953 37.905,954 60.557,955 25.485,957 258.964,959 258.964,960 126.608,961 50.29,964 258.964,965 50.29,968 52.951,969 73.657,972 258.964,973 50.29,974 126.608,977 258.964,978 35.752,979 90.856,981 50.29,982 258.964,983 50.29,984 126.608,986 0.603,987 0.362,988 0.202,989 0.089,990 16,991 10,992 0.067,993 3,995 1,996 3.115,997 171.993,999 12,1000 64.107,1005 16.168,1006 5.886,1007 3.044,1009 50.29,1010 7.787,1015 6.71,1018 435.862,1019 31,1024 25.476,1028 -0.824,1031 43.374,1032 48.986,1034 0.223,1035 0.467,1036 0.49,1037 0.513,1038 0.582,1039 0.582,1040 4.727,1041 0.934,1042 5.652,1043 5.085,1044 4.234,1045 4.812,1047 6.529,1048 4.257,1049 5.998,1051 7.27,1052 2.383,1053 4.111,1054 4.89,1056 7.573,1057 4.149,1058 7.346,1059 -0.194,1060 8.985,1062 5.9,1063 7.078,1065 10.705,1066 5.945,1067 8.727,1068 -0.347,1069 10.752,1070 -0.461,1071 6.494,1072 7.864,1074 12.536,1075 6.562,1076 10.132,1077 -0.347,1078 12.554,1079 -0.898,1080 7.864,1081 9.618,1083 15.227,1084 7.937,1085 11.558,1086 -0.688,1087 14.38,1088 -0.898,1089 8.779,1090 10.735,1092 17.395,1093 8.876,1094 13,1095 -0.69,1096 16.226,1097 -1.508,1098 10.004,1099 12.317,1101 19.921,1102 10.11,1103 3.253,1104 -1.324,1105 18.088,1106 -1.509,1107 11.06,1108 13.595,1110 22.232,1111 11.188,1112 3.004,1113 11.445,1114 19.961,1115 -3.388,1116 12.237,1117 15.1,1119 24.693,1120 12.377,1121 2.43,1122 10.252,1123 21.844,1124 4.266,1125 13.352,1126 16.457,1128 27.064,1129 13.512,1130 2.123,1131 7.06,1132 23.735,1133 4.089,1134 14.514,1135 17.926,1137 29.499,1138 14.69,1139 1.879,1140 6.04,1141 25.633,1142 3.237,1143 15.655,1144 19.322,1146 31.898,1147 15.85,1148 1.879,1149 5.225,1150 27.535,1151 2.82,1152 16.815,1153 20.775,1155 34.325,1156 17.028,1157 1.79,1158 5.225,1159 29.441,1160 2.481,1161 17.967,1162 22.19,1164 36.737,1165 18.2,1166 4141,1167 6322,1168 13.759,1169 29.284,1170 35.305,1171 37.548,1172 38.144,1173 34.61,1174 34.587,1175 46.018,1177 105.43,1178 35.034,1179 5.445,1180 5.882,1181 5.919,1182 5.272,1183 5.253,1184 7.266,1186 19.049,1187 5.315,1188 15.691,1189 1.535,1190 1.633,1191 1.658,1192 1.505,1193 1.504,1194 2.001,1196 4.584,1197 1.523,1198 4.04,1199 4.056,1200 3.997,1201 3.984,1202 7.496,1203 3.984,1204 3.929,1205 3.954,1206 3.871,1207 3.885,1208 7.352,1209 3.878,1210 3.47,1211 3.483,1212 3.416,1213 3.317,1214 4.714,1215 3.334,1216 3.266,1217 3.35,1218 3.084,1219 3.125,1220 4.674,1221 3.105,1222 3.266,1223 3.35,1224 3.067,1225 3.125,1226 3.966,1227 3.101,1228 3.263,1229 3.343,1230 3.067,1231 3.125,1232 3.966,1233 3.101,1234 3.147,1235 3.216,1236 2.939,1237 2.931,1238 3.943,1239 2.927,1240 2.756,1241 2.871,1242 2.524,1243 2.51,1244 3.925,1245 2.474,1246 0.2,1247 0.169,1248 0.301,1249 0.186,1250 0.141,1251 4.601,1252 0.185,1253 3.882,1255 6.919,1256 0.498,1257 4.272,1258 0.144,1259 3.253,1260 4.266,1262 11.445,1263 3.315,1264 2.002,1265 1.986,1266 2.098,1267 2.075,1268 1.263,1269 2.082,1270 1.939,1271 1.916,1272 2.057,1273 2.009,1274 1.219,1275 2.026,1276 1.412,1277 1.387,1278 1.654,1279 1.597,1280 0.74,1281 1.605,1282 1.303,1283 1.226,1284 1.639,1285 1.507,1286 0.719,1287 1.557,1288 1.303,1289 1.226,1290 1.639,1291 1.507,1292 0.719,1293 1.557,1294 1.295,1295 1.221,1296 1.63,1297 1.5,1298 0.717,1299 1.549,1300 1.12,1301 1.06,1302 1.359,1303 1.391,1304 0.377,1305 1.39,1306 0.796,1307 0.679,1308 1.232,1309 1.079,1310 0.307,1311 1.138,1312 3.85,1314 5.209,1316 6.76,1318 8.409,1320 10.106,1322 11.518,1340 27.224,1341 53.669,1342 112.137,1343 117.647,1344 123.156,1345 139.686,1346 139.686,1347 55.169,1348 6.384,1349 34.14,1350 34.14,1351 12,1352 12.375,1353 3.907,1354 3.17,1355 41.985,1356 65,1357 62,1358 0.33,1359 172.404,1360 304.5,1361 412.425,1362 3903,1364 16.602,1365 0.755,1366 0.642,1367 16.602,1368 14.126,1369 10.218,1370 0.444,1371 0.325,1372 7.44,1373 10.092,1374 6.895,1375 5.909,1376 10.218,1377 7.468,1378 9.935,1379 0.292,1380 0.183,1381 9.935,1382 6.206,1383 7.768,1384 0.177,1385 0.091,1386 7.768,1387 4.014,1388 7.255,1389 0.125,1390 0.057,1391 7.255,1392 3.303,1393 4.057,1394 0.068,1395 0.025,1396 4.057,1397 1.485,1398 0.497,1399 62.463,1400 0.27,1401 21.113,1402 0.973,1403 114,1404 297.471,1405 118.207,1406 296.738,1407 400.18,1408 274,1409 135,1410 287.273,1411 139.761,1412 302.795,1413 438.72,1414 280,1415 4}
{0 CHEMBL395653,1 1.295,2 4.5,3 2.198,4 4.833,5 52.465,6 9.109,7 0.688,8 3.149,9 3.205,10 2.9,11 2.901,12 4.411,13 2.891,14 3.627,15 3.697,16 3.308,17 3.31,18 4.906,19 3.297,20 3.857,21 3.968,22 3.406,23 3.354,24 5.382,25 3.343,26 3.763,27 3.898,28 3.125,29 3.151,30 5.144,31 3.119,32 3.491,33 3.646,34 2.55,35 2.549,36 5.026,37 2.517,38 2.761,39 3.017,40 0.711,41 1.421,42 4.007,43 1.241,44 1.02,45 1.365,46 0.014,47 0.255,48 1.099,49 0.13,56 0.02,57 0.18,58 2.071,59 1.502,60 6.246,61 1.619,62 0.037,63 0.305,64 3.676,65 2.542,66 13.057,67 2.739,68 0.17,69 0.431,70 6.636,71 3.605,72 44.752,73 4.069,74 0.114,75 0.41,76 6.602,77 3.435,78 28.117,79 3.735,80 0.149,81 0.336,82 6.012,83 2.763,84 31.634,85 2.667,86 0.164,87 0.197,88 4.792,89 1.633,90 37.62,91 1.54,92 0.011,93 0.031,94 0.909,95 0.287,96 2.42,97 0.475,104 5,105 24,106 0.265,107 0.486,108 0.603,109 0.701,110 0.701,111 0.701,112 2.741,113 0.824,114 -3.66,115 -3.63,116 -3.46,121 60,144 6,145 4,159 2,176 11,180 2,187 14,191 1,192 6,200 12,206 6,214 6,219 6,227 2,281 124,282 9.552,283 9.552,284 9.552,285 9.552,286 9.552,287 8.152,288 1.747,289 5.422,290 9.505,291 7.863,292 7.863,293 7.863,294 7.863,295 7.863,296 5.596,297 0.589,298 2.517,299 7.752,300 3.026,301 1.951,302 1.375,303 0.9,304 0.9,305 0.9,306 3.407,311 1,312 1,313 139,314 1.732,317 17.445,318 42.811,321 65.912,322 36.543,323 42.199,325 0.571,326 18.111,329 1,330 0.67,331 0.83,332 0.4,334 1,335 1,336 0.7,337 30,338 63,339 4.769,340 3.907,341 7.096,342 4.385,343 3.369,344 4.671,346 12.241,347 3.422,348 3.924,349 2.911,350 5.937,351 3.501,352 2.474,353 3.414,355 8.017,356 2.535,357 3.576,358 2.898,359 5.631,360 3.184,361 2.17,362 2.967,364 7.034,365 2.198,366 3.086,367 1.866,368 4.841,369 2.592,370 1.565,371 2.299,373 4.781,374 1.602,375 2.759,376 1.817,377 3.829,378 2.266,379 1.258,380 1.884,382 2.935,383 1.267,384 2.751,385 1.27,386 3.618,387 2.259,388 1.247,389 1.807,391 2.768,392 1.26,393 2.059,394 1.031,395 3,396 1.408,397 0.311,398 0.519,400 0.721,401 0.338,402 1.096,403 -0.025,404 2.506,405 0.593,406 -0.445,407 -0.696,409 -1.056,410 -0.462,411 0.936,412 -0.264,413 2.388,414 0.449,415 -0.56,416 -0.817,418 -1.544,419 -0.564,420 0.661,421 -0.62,422 2.271,423 0.185,424 -0.841,425 -1.19,427 -2.057,428 -0.855,429 0.162,430 -0.99,431 1.753,432 -0.266,433 -1.358,434 -2,436 -3.558,437 -1.493,438 -0.031,439 -1.367,440 1.548,441 -0.465,442 -1.481,443 -2.06,445 -4.33,446 -1.504,447 -0.451,448 -1.728,449 1.382,450 -0.786,451 -1.802,452 -2.26,454 -5.113,455 -1.836,456 -0.5,457 -1.905,458 1.223,459 -0.906,460 -1.906,461 -2.537,463 -6.312,464 -1.907,465 -0.5,466 -2,467 0.544,468 -1,469 -2,470 -3,472 -7.024,473 -2,474 6.667,475 0.476,476 0.384,477 0.027,478 21.5,479 1.536,480 13,481 0.929,482 8.5,483 0.607,484 6.554,485 0.468,486 13.133,487 0.657,488 12.742,489 0.91,490 4.323,491 0.309,492 2.465,493 0.176,494 0.1,496 0.45,501 0.441,502 0.72,503 0.555,504 0.718,505 0.484,506 0.679,507 0.538,508 0.88,509 0.678,510 0.878,511 0.583,512 0.83,513 0.64,514 0.968,515 0.728,516 0.961,517 0.657,518 0.891,519 1.009,520 1.159,521 1.07,522 1.158,523 0.985,524 1.137,525 1.779,526 1.452,527 1.574,528 1.445,529 1.714,530 1.455,531 2.672,532 0.563,533 2.109,534 0.611,535 2.644,536 1.059,549 2,551 2,552 1.986,553 0.657,554 0.285,559 1187,560 3734,561 2.155,562 30,564 6,572 1.52,573 2,574 2.295,575 -0.835,579 1,582 25.909,583 1.295,584 2.371,585 2.946,586 3.422,587 3.422,588 3.422,589 1.264,590 2.95,591 3.79,592 2.231,593 203.015,594 6.363,595 1597.11,597 1,600 86.439,601 1.449,602 3.733,603 0.125,605 0.083,606 0.079,607 0.036,608 0.036,613 0.36,614 1,615 1,616 0.673,617 49.94,618 0.002,619 0.061,620 0.026,621 0.06,622 -0.036,623 0.052,624 -0.002,625 -0.074,626 -0.032,627 -0.074,628 -0.039,629 -0.064,630 0.218,631 -0.056,632 0.155,633 -0.049,634 0.203,635 0.015,636 -0.075,637 -0.208,638 -0.097,639 -0.203,640 -0.051,641 -0.168,642 -0.264,643 -0.388,644 -0.375,645 -0.395,646 -0.205,647 -0.408,648 -0.693,649 0.788,650 -0.403,651 0.742,652 -0.685,653 0.373,654 0.47,655 1.489,656 2.225,657 1.65,658 0.429,659 2.184,666 2.045,667 4.528,668 0.857,669 5.02,670 1.015,671 1.083,672 2.434,673 5.926,674 0.76,675 2.833,676 3.219,677 3.611,678 3.951,679 4.19,680 4.19,681 4.248,682 4.29,683 4.094,684 3.784,685 3.011,686 0.751,687 182.18,688 2.833,689 4.394,690 5.303,691 6.229,692 7.155,693 8.086,694 9.016,695 9.948,696 10.879,697 11.811,714 2,715 6,720 2,722 11,727 2,741 20,743 13,744 2,745 16,747 22,748 12,749 10,750 4,751 6,752 2,756 3,757 7,772 12,777 2,782 2,786 2,793 6,794 2,796 2,808 0.333,809 2,828 1,829 2,832 2,833 1,834 1,859 1,868 14,893 10,896 2,901 7,902 3.833,903 3,904 1.236,907 2.631,908 1.417,909 1.074,910 1.223,911 8.937,912 3.199,913 3.882,914 4.627,915 5.299,916 5.918,917 6.228,918 6.634,919 6.996,920 7.238,921 7.161,922 0.667,923 25,924 5.193,925 0.002,926 2.389,927 0.026,929 8.071,931 9.646,932 0.001,933 8.376,936 2.571,937 36,938 0.004,941 70.627,942 78.642,945 50.29,948 78.642,949 120.916,953 56.857,954 60.557,955 11.517,957 70.627,959 70.627,960 78.642,961 50.29,964 70.627,965 50.29,969 78.642,972 70.627,973 50.29,974 78.642,977 70.627,978 21.784,979 56.857,981 50.29,982 70.627,983 50.29,984 78.642,986 0.597,987 0.385,988 0.223,989 0.121,990 15,991 6,994 3,995 1.417,996 2.566,997 100.77,998 0.5,999 11,1000 41.303,1005 7.455,1006 2.296,1007 0.789,1008 1.768,1009 50.29,1010 10.844,1015 1.089,1018 199.558,1019 23.5,1024 23.055,1028 -0.756,1031 20.305,1032 21.664,1034 0.3,1035 0.549,1036 0.682,1037 0.792,1038 0.792,1039 0.792,1040 4.44,1041 -0.445,1042 5.323,1043 0.721,1044 3.892,1045 4.564,1047 6.244,1048 3.924,1049 5.694,1050 -0.56,1051 6.952,1052 -1.056,1053 3.611,1054 4.527,1056 7.353,1057 3.674,1058 7.044,1059 -0.841,1060 8.686,1061 -1.544,1062 5.58,1063 6.915,1065 10.548,1066 5.641,1067 8.438,1068 -1.358,1069 10.481,1070 -2.057,1071 6.155,1072 7.742,1074 12.512,1075 6.249,1076 9.869,1077 -1.481,1078 12.315,1079 -3.558,1080 7.624,1081 9.608,1083 15.239,1084 7.717,1085 11.328,1086 -1.802,1087 14.174,1088 -4.33,1089 8.579,1090 10.835,1092 17.542,1093 8.7,1094 12.809,1095 -1.906,1096 16.053,1097 -5.113,1098 9.872,1099 12.499,1101 20.119,1102 9.998,1103 3.369,1104 -2,1105 17.947,1106 -6.312,1107 10.984,1108 13.906,1110 22.55,1111 11.131,1112 2.474,1113 12.241,1114 19.852,1115 -7.024,1116 12.219,1117 15.492,1119 25.079,1120 12.376,1121 2.17,1122 8.017,1123 21.767,1124 4.671,1125 13.393,1126 16.976,1128 27.557,1129 13.568,1130 1.565,1131 7.034,1132 23.69,1133 3.414,1134 14.611,1135 18.534,1137 30.07,1138 14.799,1139 1.258,1140 4.781,1141 25.619,1142 2.967,1143 15.808,1144 20.05,1146 32.565,1147 16.013,1148 1.247,1149 2.935,1150 27.553,1151 2.299,1152 17.022,1153 21.597,1155 35.072,1156 17.241,1157 0.311,1158 2.768,1159 29.492,1160 1.884,1161 18.23,1162 23.127,1164 37.573,1165 18.464,1166 1196,1167 2178,1168 10.751,1169 15.193,1170 25.285,1171 27.201,1172 25.905,1173 24.841,1174 24.787,1175 35.121,1177 76.994,1178 25.242,1179 5.566,1180 5.907,1181 6.664,1182 5.385,1183 5.369,1184 7.671,1186 19.743,1187 5.422,1188 5.435,1189 1.58,1190 1.7,1191 1.619,1192 1.553,1193 1.549,1194 2.195,1196 4.812,1197 1.578,1198 4.15,1199 4.158,1200 4.124,1201 4.109,1202 7.497,1203 4.11,1204 3.466,1205 3.491,1206 3.432,1207 3.379,1208 7.351,1209 3.369,1210 3.452,1211 3.462,1212 3.359,1213 3.324,1214 4.855,1215 3.347,1216 2.711,1217 2.764,1218 2.593,1219 2.592,1220 4.292,1221 2.581,1222 2.632,1223 2.64,1224 2.577,1225 2.422,1226 3.792,1227 2.444,1228 2.576,1229 2.589,1230 2.506,1231 2.414,1232 3.411,1233 2.44,1234 2.188,1235 2.22,1236 2.019,1237 1.791,1238 3.137,1239 1.856,1240 1.547,1241 1.741,1242 1.051,1243 1.145,1244 2.214,1245 1.097,1246 0.298,1247 0.244,1248 0.444,1249 0.274,1250 0.211,1251 4.769,1252 0.292,1253 3.907,1255 7.096,1256 0.765,1257 4.385,1258 0.214,1259 3.369,1260 4.671,1262 12.241,1263 3.422,1264 2.049,1265 2.035,1266 2.121,1267 2.094,1268 1.284,1269 2.103,1270 1.604,1271 1.594,1272 1.714,1273 1.738,1274 0.762,1275 1.72,1276 1.161,1277 1.15,1278 1.264,1279 1.369,1280 0.317,1281 1.342,1282 1.034,1283 1.01,1284 1.185,1285 1.151,1286 0.202,1287 1.159,1288 0.69,1289 0.64,1290 0.926,1291 0.84,1292 0.057,1293 0.872,1294 0.301,1295 0.218,1296 0.708,1297 0.583,1299 0.633,1302 0.329,1303 0.392,1305 0.267,1308 0.288,1309 0.082,1311 0.179,1312 3.497,1314 4.86,1315 2.398,1316 6.45,1317 4.949,1318 8.141,1319 7.222,1320 9.883,1340 15.01,1341 25.909,1342 47.419,1343 58.929,1344 68.439,1345 68.439,1346 68.439,1347 20.814,1348 6.306,1349 34.14,1350 34.14,1351 17,1352 12.311,1353 3.807,1354 3.087,1355 17.919,1356 27,1357 17,1358 0.385,1359 91.199,1360 156.38,1361 214.286,1362 3481,1364 9.707,1365 0.693,1366 0.52,1367 9.707,1368 7.281,1369 6.788,1370 0.424,1371 0.275,1372 4.368,1373 6.661,1374 4.281,1375 3.512,1376 6.788,1377 4.396,1378 6.245,1379 0.26,1380 0.14,1381 6.245,1382 3.368,1383 5.938,1384 0.165,1385 0.072,1386 5.938,1387 2.6,1388 5.169,1389 0.101,1390 0.039,1391 5.169,1392 1.964,1393 4.361,1394 0.067,1395 0.021,1396 4.361,1397 1.346,1398 0.533,1399 41.881,1400 0.305,1401 13.308,1402 1.306,1403 80,1404 245.471,1405 84.207,1406 239.086,1407 324.98,1408 222,1409 100,1410 235.273,1411 104.761,1412 240.679,1413 360.42,1414 228,1415 4}
{0 CHEMBL395654,1 1.542,2 4.5,3 1.407,4 1.98,5 51.501,6 8.14,7 0.375,8 3.281,9 3.373,10 2.94,11 2.902,12 4.404,13 2.894,14 3.852,15 3.992,16 3.36,17 3.338,18 4.968,19 3.316,20 4.114,21 4.293,22 3.453,23 3.432,24 5.433,25 3.394,26 4.045,27 4.236,28 3.173,29 3.281,30 5.219,31 3.217,32 3.801,33 3.992,34 2.619,35 2.794,36 5.129,37 2.705,38 3.219,39 3.498,40 0.944,41 1.792,42 4.419,43 1.575,44 1.515,45 1.922,46 0.028,47 0.457,48 1.609,49 0.245,56 0.023,57 0.316,58 3.759,59 2.103,60 5.699,61 2.458,62 0.119,63 0.564,64 7.943,65 3.691,66 11.961,67 4.538,68 0.264,69 0.691,70 12.146,71 5.042,72 46.944,73 6.43,74 0.192,75 0.63,76 11.758,77 4.694,78 32.834,79 5.703,80 0.209,81 0.446,82 9.904,83 3.696,84 43.306,85 4.169,86 0.246,87 0.221,88 7.464,89 2.035,90 49.169,91 2.309,92 0.02,93 0.036,94 1.41,95 0.392,96 3.282,97 0.682,104 5,105 24,106 0.314,107 0.682,108 0.827,109 0.869,110 0.869,111 0.869,112 2.741,113 0.894,114 -2.72,115 -2.74,116 -2.66,121 47.8,123 2,127 1,144 3,145 2,146 1,159 1,160 1,176 6,179 1,180 4,187 6,191 2,192 5,200 5,206 6,214 3,219 6,227 1,281 124,282 9.552,283 9.552,284 9.552,285 9.552,286 9.552,287 8.666,288 12.01,289 5.422,290 9.605,291 7.863,292 7.863,293 7.863,294 7.863,295 7.863,296 6.328,297 14.843,298 2.517,299 7.923,300 2.982,301 1.175,302 0.468,303 0.261,304 0.261,305 0.261,306 3.407,311 1,312 1,313 139,314 1.732,317 17.445,318 42.811,321 65.912,322 36.543,323 42.199,325 0.571,326 18.221,329 1,330 0.67,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.83,337 30.5,338 63,339 4.654,340 3.99,341 7.096,342 4.355,343 3.369,344 4.248,345 1.2,346 12.241,347 3.324,348 3.843,349 3.062,350 5.937,351 3.495,352 2.474,353 3.218,354 0.293,355 8.017,356 2.519,357 3.431,358 2.96,359 5.631,360 3.146,361 2.17,362 2.627,364 7.034,365 2.11,366 2.94,367 2.121,368 4.841,369 2.573,370 1.565,371 2.056,373 4.781,374 1.567,375 2.7,376 1.897,377 3.829,378 2.259,379 1.258,380 1.717,382 2.935,383 1.257,384 2.388,385 1.316,386 3.618,387 2.249,388 1.247,389 1.348,391 2.768,392 1.246,393 1.911,394 1.105,395 3,396 1.395,397 0.311,398 0.458,400 0.721,401 0.332,402 0.933,403 0.096,404 2.506,405 0.584,406 -0.445,407 -0.579,409 -1.056,410 -0.457,411 0.768,412 -0.145,413 2.388,414 0.425,415 -0.56,416 -0.666,418 -1.544,419 -0.548,420 0.493,421 -0.461,422 2.271,423 0.175,424 -0.841,425 -1.077,427 -2.057,428 -0.847,429 0.101,430 -0.964,431 1.753,432 -0.269,433 -1.358,434 -1.834,436 -3.558,437 -1.455,438 -0.278,439 -1.158,440 1.548,441 -0.489,442 -1.481,443 -2,445 -4.33,446 -1.49,447 -0.5,448 -1.536,449 1.382,450 -0.817,451 -1.802,452 -2.026,454 -5.113,455 -1.742,456 -0.596,457 -1.776,458 1.223,459 -0.944,460 -1.906,461 -2.188,463 -6.312,464 -1.871,465 -0.836,466 -1.825,467 0.544,468 -1,469 -2,470 -2.303,471 -0.4,472 -7.024,473 -1.944,474 6.567,475 0.469,476 0.384,477 0.027,478 18.75,479 1.339,480 9.5,481 0.679,482 9.25,483 0.661,484 8.484,485 0.606,486 14.433,487 0.628,488 10.812,489 0.772,490 3.538,491 0.253,492 3.25,493 0.232,494 0.102,496 0.442,501 0.531,502 1.183,503 0.639,504 0.967,505 0.455,506 0.852,507 0.551,508 1.063,509 0.734,510 0.931,511 0.495,512 0.875,513 0.566,514 0.991,515 0.74,516 0.963,517 0.559,518 0.9,519 1.037,520 1.008,521 1.085,522 1.082,523 0.975,524 1.084,525 1.63,526 1.218,527 1.475,528 1.378,529 1.731,530 1.402,531 2.435,532 0.456,533 1.684,534 0.553,535 2.614,536 0.903,549 2,551 2,552 1.986,553 0.657,554 0.285,559 1187,560 3364,561 2.155,562 39.1,563 2,564 5,569 2,572 1.52,573 2,574 2.295,575 -0.766,579 1,582 35.459,583 1.542,584 3.349,585 4.056,586 4.263,587 4.263,588 4.263,589 1.264,590 2.95,591 3.79,592 2.231,593 203.015,594 6.363,595 1597.11,597 1,600 104.042,601 1.449,602 3.733,603 0.125,605 0.083,606 0.079,607 0.036,608 0.036,613 0.36,614 1,615 1,616 0.673,617 49.94,618 -0.013,619 -0.136,620 0.054,621 -0.019,622 0.001,623 0.018,624 0.073,625 -0.008,626 0.062,627 0.004,628 0.026,629 0.024,630 0.25,631 -0.014,632 0.185,633 -0.007,634 0.221,635 0.06,636 -0.121,637 -0.052,638 -0.131,639 -0.131,640 -0.068,641 -0.126,642 -0.261,643 -0.358,644 -0.419,645 -0.429,646 -0.238,647 -0.454,648 -0.582,649 0.341,650 -0.337,651 0.435,652 -0.575,653 0.156,654 0.433,655 0.774,656 1.498,657 1.11,658 0.314,659 1.455,666 2.021,667 4.556,668 0.857,669 5.02,670 1.013,671 1.112,672 1.494,673 2.232,674 0.694,675 2.833,676 3.219,677 3.611,678 3.951,679 4.19,680 4.19,681 4.248,682 4.29,683 4.094,684 3.784,685 3.011,686 0.676,687 187.21,688 2.833,689 4.394,690 5.303,691 6.229,692 7.155,693 8.086,694 9.016,695 9.948,696 10.879,697 11.811,698 4.3,705 1,715 3,720 3,722 6,727 1,741 23,743 8,744 1,745 16,747 25,748 11,749 6,750 3,751 3,752 2,756 3,757 7,767 2,770 2,772 8,773 3,777 2,782 2,786 2,790 1,793 9,794 3,796 3,802 1,808 0.333,809 2,828 1,829 2,832 2,833 1,834 1,844 1,859 1,868 14,876 3,881 1,893 8.7,896 2,901 7,902 4.283,903 3,904 1.547,907 1.518,908 1.241,909 1.037,910 1.42,911 7.824,912 3.091,913 3.676,914 4.314,915 4.859,916 5.366,917 5.529,918 5.783,919 5.971,920 5.945,921 5.768,922 0.667,923 25,924 5.224,925 0.002,926 2.394,927 0.026,929 7.988,931 9.907,932 0.001,933 8.72,936 2.488,937 34.833,938 0.005,941 105.94,942 54.57,943 3.124,945 50.29,948 54.57,949 156.23,950 3.124,952 10.299,953 28.429,954 60.128,955 9.128,957 105.94,959 105.94,960 57.694,961 50.29,964 82.398,965 73.832,968 10.299,969 47.395,972 105.94,973 53.414,974 54.57,977 105.94,978 26.141,979 31.553,981 50.29,982 105.94,983 53.414,984 54.57,986 0.597,987 0.385,988 0.223,989 0.121,990 15,991 6,994 3,995 1.417,996 2.566,997 100.77,998 0.5,999 11,1000 53.303,1005 7.892,1006 2.52,1007 0.887,1009 53.414,1010 5.593,1015 2.592,1018 213.924,1019 21,1024 23.11,1028 -0.698,1031 23.291,1032 25.578,1034 0.341,1035 0.74,1036 0.897,1037 0.942,1038 0.942,1039 0.942,1040 4.363,1041 -0.445,1042 5.323,1043 0.721,1044 3.892,1045 4.357,1046 1.356,1047 6.244,1048 3.88,1049 5.577,1050 -0.56,1051 6.952,1052 -1.056,1053 3.611,1054 4.27,1055 0.325,1056 7.353,1057 3.596,1058 6.911,1059 -0.841,1060 8.686,1061 -1.544,1062 5.58,1063 6.536,1064 1.511,1065 10.548,1066 5.545,1067 8.285,1068 -1.358,1069 10.481,1070 -2.057,1071 6.155,1072 7.289,1073 0.653,1074 12.512,1075 6.114,1076 9.698,1077 -1.481,1078 12.315,1079 -3.558,1080 7.624,1081 9.058,1082 1.739,1083 15.239,1084 7.563,1085 11.139,1086 -1.802,1087 14.174,1088 -4.33,1089 8.579,1090 10.185,1091 1.001,1092 17.542,1093 8.508,1094 12.6,1095 -1.906,1096 16.053,1097 -5.113,1098 9.872,1099 11.766,1100 1.993,1101 20.119,1102 9.781,1103 3.369,1104 -2,1105 17.947,1106 -6.312,1107 10.984,1108 13.061,1109 1.37,1110 22.55,1111 10.88,1112 2.474,1113 12.241,1114 19.852,1115 -7.024,1116 12.219,1117 14.566,1118 2.264,1119 25.079,1120 12.097,1121 2.17,1122 8.017,1123 21.767,1124 4.248,1125 13.393,1126 15.939,1127 1.754,1128 27.557,1129 13.256,1130 1.565,1131 7.034,1132 23.69,1133 3.218,1134 14.611,1135 17.411,1136 2.551,1137 30.07,1138 14.458,1139 1.258,1140 4.781,1141 25.619,1142 2.627,1143 15.808,1144 18.821,1145 2.143,1146 32.565,1147 15.641,1148 1.247,1149 2.935,1150 27.553,1151 2.056,1152 17.022,1153 20.279,1154 2.851,1155 35.072,1156 16.839,1157 0.311,1158 2.768,1159 29.492,1160 1.717,1161 18.23,1162 21.707,1163 2.535,1164 37.573,1165 18.032,1166 1196,1167 2082,1168 10.751,1169 15.96,1170 25.361,1171 27.056,1172 25.905,1173 24.858,1174 24.787,1175 31.344,1176 2.986,1177 76.994,1178 24.709,1179 5.608,1180 5.99,1181 6.664,1182 5.393,1183 5.369,1184 7.248,1185 2.293,1186 19.743,1187 5.324,1188 5.435,1189 1.585,1190 1.691,1191 1.619,1192 1.554,1193 1.549,1194 1.959,1195 0.187,1196 4.812,1197 1.544,1198 4.064,1199 4.088,1200 4.026,1201 3.973,1202 7.497,1203 3.981,1204 3.497,1205 3.556,1206 3.416,1207 3.371,1208 7.352,1209 3.357,1210 3.461,1211 3.473,1212 3.348,1213 3.278,1214 4.702,1215 3.31,1216 2.833,1217 2.913,1218 2.645,1219 2.677,1220 4.061,1221 2.659,1222 2.708,1223 2.755,1224 2.622,1225 2.465,1226 3.7,1227 2.481,1228 2.575,1229 2.592,1230 2.502,1231 2.385,1232 3.355,1233 2.411,1234 2.299,1235 2.316,1236 2.133,1237 1.887,1238 3.14,1239 1.959,1240 1.946,1241 2.119,1242 1.446,1243 1.583,1244 2.296,1245 1.524,1246 0.291,1247 0.249,1248 0.444,1249 0.272,1250 0.211,1251 4.654,1252 0.265,1253 3.99,1254 0.075,1255 7.096,1256 0.765,1257 4.355,1258 0.208,1259 3.369,1260 4.248,1261 1.2,1262 12.241,1263 3.324,1264 1.949,1265 1.922,1266 2.066,1267 2.043,1268 1.348,1269 2.052,1270 1.598,1271 1.561,1272 1.783,1273 1.781,1274 0.965,1275 1.772,1276 1.213,1277 1.198,1278 1.323,1279 1.455,1280 0.552,1281 1.42,1282 1.018,1283 0.957,1284 1.278,1285 1.237,1286 0.274,1287 1.252,1288 0.773,1289 0.717,1290 0.989,1291 0.959,1292 0.164,1293 0.977,1294 0.475,1295 0.386,1296 0.845,1297 0.746,1299 0.787,1300 0.034,1302 0.64,1303 0.463,1305 0.52,1308 0.302,1309 0.359,1311 0.27,1312 3.497,1314 4.86,1315 2.398,1316 6.45,1317 4.949,1318 8.141,1319 7.222,1320 9.883,1328 2.615,1333 1.622,1340 15.558,1341 35.459,1342 77.022,1343 93.287,1344 98.042,1345 98.042,1346 98.042,1347 20.844,1348 6.306,1349 39.07,1350 39.07,1351 17,1352 12.311,1353 3.17,1354 2.585,1355 17.919,1356 27,1357 17,1358 0.385,1359 94.256,1360 166.26,1361 221.744,1362 3481,1364 9.707,1365 0.693,1366 0.544,1367 9.707,1368 7.617,1369 6.788,1370 0.424,1371 0.298,1372 4.716,1373 6.571,1374 4.642,1375 3.788,1376 6.788,1377 4.769,1378 6.245,1379 0.26,1380 0.154,1381 6.245,1382 3.703,1383 5.938,1384 0.165,1385 0.081,1386 5.938,1387 2.901,1388 5.169,1389 0.101,1390 0.045,1391 5.169,1392 2.275,1393 4.361,1394 0.067,1395 0.025,1396 4.361,1397 1.648,1398 0.533,1399 42.418,1400 0.305,1401 13.308,1402 1.306,1403 80,1404 243.116,1405 87.066,1406 232.133,1407 315.59,1408 216,1409 100,1410 230.794,1411 108.314,1412 232.165,1413 350.1,1414 220,1415 4}
{0 CHEMBL395815,1 1.52,2 23.042,3 6.381,4 40.716,5 195.044,6 6.764,7 0.24,8 4.637,9 4.772,10 4.096,11 4.115,12 5.719,13 4.073,14 5.2,15 5.404,16 4.383,17 4.493,18 6.308,19 4.417,20 5.492,21 5.743,22 4.483,23 4.652,24 6.443,25 4.548,26 5.601,27 5.858,28 4.485,29 4.688,30 6.581,31 4.572,32 5.661,33 5.928,34 4.431,35 4.704,36 6.661,37 4.567,38 5.606,39 5.868,40 4.36,41 4.699,42 6.494,43 4.553,44 5.65,45 5.92,46 4.279,47 4.661,48 6.607,49 4.505,50 5.547,51 5.821,52 4.133,53 4.536,54 6.482,55 4.373,56 0.238,57 1.396,58 22.496,59 9.036,60 19.95,61 12.855,62 0.44,63 2.169,64 41.123,65 14.293,66 88.796,67 21.414,68 0.517,69 2.643,70 56.354,71 18.415,72 77.524,73 28.298,74 0.719,75 2.783,76 63.747,77 20.242,78 110.633,79 30.754,80 1.17,81 2.798,82 68.921,83 21.604,84 177.38,85 32.474,86 0.659,87 2.755,88 63.91,89 21.249,90 114.321,91 31.86,92 0.975,93 2.702,94 68.194,95 21.328,96 163.38,97 31.81,98 0.878,99 2.382,100 61.783,101 19.257,102 164.137,103 28.772,104 81,105 64,106 0.222,107 0.499,108 0.673,109 0.765,110 0.796,111 0.813,112 3.894,113 1.025,114 -5.31,115 -5.2,116 -4.86,121 36.7,122 2,123 8,127 8,137 2,140 2,144 8,145 2,146 2,158 2,168 4,176 14,179 2,180 13,185 3,187 12,191 1,192 19,196 1,197 3,200 7,205 2,206 17,209 2,211 1,214 8,218 4,219 10,222 2,224 2,227 12,232 6,237 2,239 18,243 1,244 13,247 1,249 3,251 18,256 9,261 3,264 10,269 12,274 4,277 7,281 6624,282 32.363,283 32.363,284 32.363,285 32.363,286 32.363,287 29.471,288 41.457,289 19.909,290 32.884,291 24.567,292 24.567,293 24.567,294 24.567,295 24.567,296 20.243,297 53.01,298 9.311,299 25.306,300 5.095,301 3.207,302 2.015,303 1.385,304 1.174,305 1.056,306 4.577,313 2284,314 5.831,318 649.618,325 4.288,326 59.825,329 0.5,330 0.5,331 0.5,332 0.8,333 1,334 0.33,336 0.52,337 105,338 1106,339 4.389,340 3.807,341 6.416,342 3.974,343 2.988,344 4.095,345 2.612,346 9.81,347 2.947,348 4.389,349 3.807,350 6.416,351 3.955,352 2.979,353 4.095,354 2.612,355 9.81,356 2.906,357 4.381,358 3.581,359 6.25,360 3.955,361 2.979,362 3.846,363 0.916,364 9.366,365 2.906,366 3.773,367 2.988,368 5.741,369 3.393,370 2.436,371 3.014,372 0.916,373 7.583,374 2.34,375 3.625,376 2.988,377 5.365,378 3.362,379 2.435,380 2.99,381 0.6,382 6.914,383 2.257,384 3.625,385 2.889,386 5.365,387 3.362,388 2.421,389 2.99,390 0.4,391 6.914,392 2.257,393 3.35,394 2.495,395 4.778,396 2.895,397 1.91,398 2.438,399 0.172,400 4.975,401 1.879,402 3.35,403 2.494,404 4.778,405 2.894,406 1.909,407 2.438,408 0.172,409 4.975,410 1.877,411 3.266,412 2.437,413 4.559,414 2.811,415 1.824,416 2.385,418 4.72,419 1.793,420 2.887,421 1.954,422 3.929,423 2.789,424 1.806,425 1.994,427 3.721,428 1.771,429 2.869,430 1.786,431 3.83,432 2.659,433 1.669,434 1.992,436 3.595,437 1.646,438 2.829,439 1.669,440 3.734,441 2.447,442 1.457,443 1.843,445 3.162,446 1.442,447 2.762,448 1.552,449 3.721,450 2.429,451 1.433,452 1.766,454 3.136,455 1.427,456 2.608,457 1.536,458 3.651,459 2.332,460 1.36,461 1.596,463 2.952,464 1.317,465 2.607,466 1.329,467 3.466,468 2.212,469 1.228,470 1.596,472 2.584,473 1.206,474 22.4,475 0.467,476 0.945,477 0.02,478 53.5,479 1.115,480 24,481 0.5,482 29.5,483 0.615,484 53.484,485 1.114,486 55.6,487 0.567,488 47.072,489 0.981,490 10.26,491 0.214,492 12.966,493 0.27,494 0.134,496 0.25,501 0.498,502 1.415,503 0.879,504 1.232,505 0.535,506 1.139,507 0.642,508 1.266,509 0.953,510 1.158,511 0.39,512 1.1,513 0.675,514 1.137,515 0.873,516 1.056,517 0.499,518 0.996,519 0.831,520 1.071,521 0.96,522 1.08,523 0.739,524 1.04,525 0.945,526 0.904,527 0.983,528 0.933,529 1.007,530 0.964,531 0.872,532 1.051,533 1.042,534 1.095,535 0.821,536 1.095,537 1.125,538 0.906,539 1.121,540 1.005,541 1.14,542 1.056,543 1.177,544 0.961,545 1.093,546 0.988,547 1.276,548 1.032,549 8,550 0.231,551 4.444,552 3,553 2.329,554 1.389,555 0.893,556 0.51,557 0.304,558 0.282,559 56156,560 153298,561 1.972,562 51,563 8,564 26,567 2,569 14,572 1.833,573 1.846,574 4.393,575 0.106,582 148.912,583 1.52,584 3.408,585 4.6,586 5.229,587 5.441,588 5.558,589 3.772,590 4.22,591 5.558,592 4.729,593 5334.57,594 9.812,595 130458,600 648.242,601 1.384,602 5.513,603 0.16,604 0.005,605 0.069,606 0.043,607 0.035,608 0.022,609 0.015,610 0.01,611 0.007,612 0.007,613 0.375,614 0.17,615 0.63,616 0.846,617 302.33,618 0.183,619 -0.072,620 0.044,621 -0.009,622 0.018,623 -0.017,624 0.079,625 -0.079,626 -0.008,627 -0.062,628 0.198,629 -0.046,630 0.043,631 -0.072,632 0.079,633 -0.031,634 0.086,635 0.024,636 0.022,637 -0.051,638 0.012,639 -0.083,640 0.037,641 -0.041,642 0.031,643 0.05,644 0.006,645 0.044,646 -0.013,647 0.021,648 -0.071,649 -0.057,650 -0.083,651 -0.08,652 -0.065,653 -0.081,654 -0.126,655 0.038,656 -0.13,657 -0.035,658 -0.117,659 -0.076,660 -0.141,661 -0.055,662 -0.1,663 -0.017,664 -0.16,665 -0.051,666 2.329,667 5.604,668 0.375,669 96.167,670 1,671 1.137,672 4.082,673 16.663,674 0.628,675 3.932,676 4.174,677 4.369,678 4.533,679 4.673,680 4.615,681 4.554,682 4.466,683 4.443,684 4.466,685 14.111,686 0.592,687 662.92,688 3.932,689 5.434,690 6.24,691 7.074,692 7.9,693 8.74,694 9.573,695 10.415,696 11.252,697 12.097,698 6.1,700 1,701 2,707 1,709 2,715 8,720 4,722 12,735 2,741 98,743 20,744 2,745 50,747 100,748 36,749 12,750 4,751 8,752 6,756 3,757 3,763 2,770 8,772 18,773 18,777 8,779 2,782 5,784 2,785 1,786 4,793 50,794 10,795 2,796 12,802 6,808 1,809 6,829 3,839 1,841 1,849 4,853 1,855 2,857 1,859 3,864 2,868 48,875 1,876 16,877 1,881 2,893 6.1,895 1,896 1,899 4,901 26,902 17.617,903 11.167,904 6.596,907 3.348,908 1.416,909 0.917,910 17.156,911 11.396,912 4.174,913 4.654,914 5.091,915 5.528,916 5.927,917 5.953,918 6.046,919 5.921,920 5.926,921 6.031,922 0.933,923 69,924 17.877,926 7.366,927 0.026,929 7.913,931 34.082,933 27.031,936 2.413,937 115.833,941 565.013,942 172.066,943 52.385,945 169.322,948 172.066,949 734.335,950 52.385,951 28.991,952 37.122,953 112.773,954 78.475,955 34.919,957 565.013,958 101.494,959 565.013,960 224.451,961 169.322,964 400.217,965 232.624,966 101.494,968 95.817,969 95.585,970 33.049,972 565.013,973 221.707,974 172.066,977 565.013,978 59.654,979 130.002,980 18.011,981 186.108,982 565.013,983 221.707,984 172.066,986 0.558,987 0.322,988 0.17,989 0.091,990 21,991 12,992 0.23,993 23,995 1,996 5.877,997 429.44,999 18,1000 264.078,1005 38.705,1006 21.276,1007 13.362,1009 210.367,1010 13.758,1015 1.775,1017 60.694,1018 958.786,1019 64,1021 -0.657,1024 57.816,1026 2.843,1027 4.418,1028 0.477,1031 98.014,1032 111.381,1034 0.23,1035 0.515,1036 0.695,1037 0.791,1038 0.823,1039 0.84,1040 5.384,1041 1.909,1042 6.184,1043 4.975,1044 4.86,1045 5.342,1046 3.312,1047 6.917,1048 4.804,1049 6.546,1050 1.824,1051 7.698,1052 4.975,1053 4.29,1054 5.094,1055 3.043,1056 7.716,1057 4.192,1058 7.826,1059 1.806,1060 9.319,1061 4.72,1062 6.372,1063 7.42,1064 4.857,1065 10.786,1066 6.256,1067 9.142,1068 1.669,1069 11.005,1070 3.721,1071 6.661,1072 8.039,1073 5.199,1074 12.446,1075 6.507,1076 10.495,1077 1.457,1078 12.734,1079 3.595,1080 8.168,1081 9.834,1082 6.642,1083 15.013,1084 8.001,1085 11.874,1086 1.433,1087 14.493,1088 3.162,1089 8.87,1090 10.852,1091 7.249,1092 17.019,1093 8.674,1094 13.272,1095 1.36,1096 16.272,1097 3.136,1098 10.134,1099 12.434,1100 8.487,1101 19.406,1102 9.925,1103 2.988,1104 1.228,1105 18.065,1106 2.952,1107 11.039,1108 13.643,1109 9.241,1110 21.559,1111 10.807,1112 2.979,1113 9.81,1114 19.87,1115 2.584,1116 12.199,1117 15.13,1118 10.363,1119 23.877,1120 11.953,1121 2.979,1122 9.81,1123 21.684,1124 4.095,1125 13.2,1126 16.432,1127 11.202,1128 26.095,1129 12.934,1130 2.436,1131 9.366,1132 23.504,1133 4.095,1134 14.316,1135 17.876,1136 12.256,1137 28.386,1138 14.035,1139 2.435,1140 7.583,1141 25.329,1142 3.846,1143 15.363,1144 19.224,1145 13.145,1146 30.634,1147 15.064,1148 2.421,1149 6.914,1150 27.159,1151 3.014,1152 16.462,1153 20.647,1154 14.161,1155 32.915,1156 16.146,1157 1.91,1158 6.914,1159 28.992,1160 2.99,1161 17.531,1162 22.02,1163 15.079,1164 35.176,1165 17.197,1166 54920,1167 91070,1168 32.591,1169 61.512,1170 71.506,1171 74.454,1172 74.263,1173 71.069,1174 71.016,1175 89.472,1176 16.805,1177 188.282,1178 69.112,1179 5.356,1180 5.807,1181 6.28,1182 5.007,1183 4.988,1184 7.095,1185 4.612,1186 16.496,1187 4.947,1188 29.674,1189 1.43,1190 1.489,1191 1.485,1192 1.421,1193 1.42,1194 1.789,1195 0.336,1196 3.766,1197 1.382,1198 4.04,1199 4.075,1200 3.991,1201 3.914,1202 7.818,1203 3.921,1204 3.991,1205 4.02,1206 3.951,1207 3.871,1208 7.812,1209 3.878,1210 3.92,1211 3.951,1212 3.877,1213 3.798,1214 7.428,1215 3.812,1216 3.766,1217 3.834,1218 3.625,1219 3.623,1220 6.999,1221 3.61,1222 3.758,1223 3.817,1224 3.621,1225 3.617,1226 6.999,1227 3.606,1228 3.621,1229 3.699,1230 3.492,1231 3.426,1232 6.469,1233 3.424,1234 3.585,1235 3.657,1236 3.46,1237 3.403,1238 4.718,1239 3.397,1240 3.474,1241 3.503,1242 3.416,1243 3.219,1244 4.689,1245 3.208,1246 0.088,1247 0.076,1248 0.128,1249 0.079,1250 0.06,1251 4.389,1252 0.082,1253 3.807,1254 0.052,1255 6.416,1256 0.196,1257 3.974,1258 0.059,1259 2.988,1260 4.095,1261 2.612,1262 9.81,1263 2.947,1264 1.942,1265 1.913,1266 2.062,1267 2.102,1268 1.382,1269 2.076,1270 1.942,1271 1.913,1272 2.06,1273 2.102,1274 1.379,1275 2.076,1276 1.856,1277 1.829,1278 2.014,1279 2.011,1280 1.223,1281 2.007,1282 1.772,1283 1.708,1284 2.003,1285 1.95,1286 1.219,1287 1.97,1288 1.743,1289 1.686,1290 1.909,1291 1.921,1292 1.089,1293 1.923,1294 1.598,1295 1.521,1296 1.859,1297 1.826,1298 1.073,1299 1.838,1300 1.574,1301 1.499,1302 1.832,1303 1.786,1304 0.986,1305 1.804,1306 1.408,1307 1.325,1308 1.719,1309 1.654,1310 0.952,1311 1.664,1312 4.615,1314 5.878,1316 7.324,1318 8.865,1320 10.458,1322 4.117,1327 10.47,1328 13.224,1329 3.166,1333 4.426,1340 58.007,1341 148.912,1342 333.991,1343 450.758,1344 512.467,1345 533.222,1346 544.732,1347 186.765,1348 8.048,1349 159.81,1350 159.81,1351 18,1352 12.66,1353 4.392,1354 3.907,1355 118.976,1356 416,1357 302,1358 0.132,1359 363.529,1360 659.54,1361 878.771,1362 52860,1364 34.727,1365 0.723,1366 0.59,1367 34.727,1368 28.312,1369 23.227,1370 0.465,1371 0.342,1372 16.858,1373 22.237,1374 16.487,1375 13.785,1376 23.227,1377 17.077,1378 19.561,1379 0.306,1380 0.187,1381 19.561,1382 11.983,1383 15.408,1384 0.198,1385 0.109,1386 15.408,1387 8.517,1388 11.996,1389 0.13,1390 0.062,1391 11.996,1392 5.685,1393 9.263,1394 0.087,1395 0.036,1396 9.263,1397 3.84,1398 0.225,1399 146.446,1400 0.175,1401 43.917,1402 0.318,1403 228,1404 717.386,1405 252.165,1406 684.857,1407 895.17,1408 630,1409 256,1410 637.425,1411 280.728,1412 633.149,1413 906.66,1414 592,1415 5.636}
{0 CHEMBL396050,1 1.339,2 21.69,3 9.517,4 90.564,5 242.075,6 6.436,7 0.387,8 4.847,9 4.977,10 4.278,11 4.382,12 5.841,13 4.325,14 5.407,15 5.609,16 4.563,17 4.757,18 6.296,19 4.669,20 5.674,21 5.913,22 4.716,23 4.93,24 6.542,25 4.821,26 5.791,27 6.029,28 4.775,29 5.003,30 6.691,31 4.887,32 5.901,33 6.146,34 4.834,35 5.086,36 6.843,37 4.965,38 5.975,39 6.224,40 4.799,41 5.128,42 6.877,43 4.993,44 5.982,45 6.238,46 4.692,47 5.14,48 6.808,49 4.972,50 5.989,51 6.269,52 4.605,53 5.121,54 6.726,55 4.925,56 0.127,57 1.653,58 28.698,59 12.148,60 20.225,61 16.862,62 0.407,63 2.683,64 51.326,65 19.257,66 40.678,67 27.644,68 0.571,69 3.346,70 67.066,71 25.135,72 62.215,73 36.423,74 0.802,75 3.675,76 75.942,77 27.85,78 83.956,79 40.166,80 0.84,81 4.061,82 84.898,83 30.78,84 124.891,85 44.399,86 0.95,87 4.275,88 92.009,89 32.619,90 125.483,91 46.794,92 0.913,93 4.285,94 91.757,95 34.681,96 110.383,97 49.365,98 0.683,99 4.252,100 91.153,101 36.021,102 91.298,103 51.838,104 53,105 80,106 0.187,107 0.46,108 0.635,109 0.744,110 0.79,111 0.812,112 4.079,113 1.03,114 -5.94,115 -5.79,116 -5.39,121 41,122 2,123 8,126 2,127 8,138 2,140 2,144 18,145 4,146 2,158 2,176 28,180 13,185 3,187 28,191 1,192 13,196 1,197 5,200 17,205 2,206 15,209 2,211 7,214 12,219 14,222 2,224 10,227 19,232 12,237 8,239 34,243 1,244 7,247 1,249 5,251 44,256 5,261 3,264 42,269 8,274 4,277 37,281 11280,282 40.346,283 40.346,284 40.346,285 40.346,286 40.346,287 36.608,288 40.87,289 24.869,290 41.096,291 30.408,292 30.408,293 30.408,294 30.408,295 30.408,296 24.81,297 52.552,298 11.516,299 31.343,300 5.592,301 3.639,302 2.387,303 1.611,304 1.283,305 1.123,306 4.78,313 2652,314 5.657,318 1196.45,325 4.369,326 45.048,329 0.5,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.68,337 122,338 1258,339 4.757,340 3.76,341 7.146,342 4.378,343 3.386,344 4.344,345 0.916,346 12.432,347 3.358,348 4.214,349 3.188,350 6.504,351 3.84,352 2.875,353 3.805,354 0.916,355 10.096,356 2.819,357 4.206,358 3.188,359 6.159,360 3.84,361 2.875,362 3.805,363 0.86,364 9.118,365 2.773,366 4.206,367 3.053,368 6.159,369 3.825,370 2.828,371 3.753,372 0.86,373 9.118,374 2.773,375 3.798,376 2.867,377 5.938,378 3.392,379 2.417,380 3.264,381 0.6,382 7.983,383 2.359,384 3.711,385 2.729,386 5.443,387 3.305,388 2.38,389 3.013,390 0.4,391 6.783,392 2.278,393 3.43,394 2.729,395 5.284,396 3.303,397 2.38,398 2.743,399 0.172,400 6.713,401 2.197,402 3.43,403 2.394,404 5.284,405 3.298,406 2.306,407 2.467,408 0.172,409 6.713,410 2.197,411 3.41,412 2.279,413 4.885,414 2.905,415 1.909,416 2.467,418 5.142,419 1.897,420 2.922,421 1.978,422 4.316,423 2.813,424 1.828,425 2.088,427 4.045,428 1.799,429 2.917,430 1.961,431 4.316,432 2.774,433 1.782,434 2.088,436 4.043,437 1.766,438 2.917,439 1.938,440 4.131,441 2.505,442 1.553,443 2.023,445 3.757,446 1.477,447 2.866,448 1.794,449 3.852,450 2.493,451 1.545,452 1.96,454 3.613,455 1.458,456 2.851,457 1.702,458 3.813,459 2.457,460 1.477,461 1.959,463 3.22,464 1.438,465 2.813,466 1.546,467 3.757,468 2.434,469 1.44,470 1.865,472 3.03,473 1.429,474 27.933,475 0.482,476 0.863,477 0.015,478 66,479 1.138,480 31,481 0.534,482 35,483 0.603,484 72.722,485 1.254,486 64.467,487 0.528,488 62.714,489 1.081,490 12.979,491 0.224,492 15.503,493 0.267,494 0.095,496 0.243,501 0.868,502 1.341,503 0.956,504 1.189,505 0.756,506 1.096,507 1.177,508 1.097,509 1.041,510 1.012,511 0.74,512 1.003,513 0.87,514 1.06,515 0.898,516 0.989,517 0.719,518 0.946,519 1.052,520 1.098,521 0.972,522 1.029,523 0.978,524 0.997,525 1.154,526 1.072,527 0.995,528 1.017,529 1.378,530 0.99,531 1.535,532 1.001,533 1.137,534 0.988,535 1.775,536 1.015,537 1.247,538 0.992,539 1.169,540 1.054,541 1.453,542 1.099,543 0.792,544 1.016,545 1.02,546 1.052,547 1.043,548 1.061,549 7,550 0.264,551 4.889,552 3.875,553 3.733,554 1.986,555 1.339,556 0.771,557 0.394,558 0.327,559 80364,560 170272,561 2.053,562 52.5,563 8,564 40,567 2,569 14,572 1.886,573 1.955,574 4.278,575 -0.046,582 163.357,583 1.339,584 3.292,585 4.543,586 5.32,587 5.648,588 5.808,589 3.788,590 4.461,591 5.82,592 4.602,593 7607.91,594 10.412,595 190070,600 845.55,601 1.233,602 5.804,603 0.113,604 0.004,605 0.061,606 0.043,607 0.04,608 0.02,609 0.014,610 0.009,611 0.005,612 0.004,613 0.313,614 0.17,615 0.5,616 0.706,617 372.271,618 0.004,619 -0.119,620 0.049,621 -0.039,622 -0.006,623 0.001,624 -0.102,625 0.04,626 -0.022,627 0.028,628 -0.007,629 0.016,630 0.082,631 0.005,632 0.102,633 0.023,634 0.136,635 0.06,636 0.094,637 -0.052,638 0.043,639 -0.028,640 0.121,641 -0.004,642 0.025,643 -0.038,644 0.022,645 -0.027,646 0.115,647 -0.005,648 -0.164,649 0.018,650 -0.104,651 -0.011,652 -0.13,653 -0.044,654 -0.133,655 0.007,656 -0.166,657 -0.058,658 -0.164,659 -0.108,660 -0.037,661 -0.058,662 -0.058,663 -0.05,664 -0.094,665 -0.057,666 1.824,667 7.572,668 0.517,669 127.015,670 0.985,671 1.125,672 4.706,673 22.144,674 0.645,675 4.143,676 4.394,677 4.673,678 4.92,679 5.142,680 5.176,681 5.283,682 5.352,683 5.38,684 5.398,685 12.924,686 0.596,687 785.18,688 4.143,689 5.652,690 6.488,691 7.343,692 8.202,693 9.073,694 9.945,695 10.826,696 11.708,697 12.596,698 3.3,700 1,701 2,707 1,715 18,720 6,722 24,739 2,741 122,743 28,744 4,745 62,747 126,748 50,749 24,750 6,751 18,752 6,756 5,757 5,763 2,770 8,772 30,773 20,777 4,782 1,785 1,786 6,793 64,794 8,795 2,796 8,802 4,808 1,809 4,829 5,839 1,841 1,849 2,850 2,853 1,855 2,857 1,859 5,864 4,868 58,875 1,876 16,877 1,878 2,881 2,893 3.3,895 1,896 1,898 2,901 29.667,902 22.55,903 13.611,904 8.043,907 3.195,908 1.369,909 0.949,910 18.764,911 11.845,912 4.369,913 4.868,914 5.421,915 5.943,916 6.448,917 6.58,918 6.94,919 7.253,920 7.504,921 7.731,922 0.933,923 91,924 21.616,926 8.845,927 0.026,929 7.526,931 42.395,933 34.05,936 2.026,937 117.5,941 729.808,942 287.358,943 41.045,945 89.828,948 287.358,949 819.636,950 41.045,951 39.417,952 37.122,953 188.583,954 78.475,955 74.634,957 729.808,959 729.808,960 328.403,961 89.828,964 565.013,965 254.623,968 95.817,969 229.829,970 2.757,972 729.808,973 130.873,974 287.358,977 729.808,978 77.369,979 216.238,980 18.011,981 106.614,982 729.808,983 130.873,984 287.358,986 0.552,987 0.334,988 0.189,989 0.105,990 29,991 14,992 0.198,993 25,995 1,996 6.363,997 619.285,999 30,1000 331.763,1005 44.581,1006 24.413,1007 12.991,1009 130.873,1010 35.842,1015 5.835,1017 60.694,1018 1148.04,1019 78,1024 14.572,1027 4.946,1028 1.703,1031 120.224,1032 137.287,1034 0.193,1035 0.475,1036 0.656,1037 0.768,1038 0.815,1039 0.838,1040 5.58,1041 2.306,1042 6.425,1043 6.713,1044 5.081,1045 5.557,1046 2.08,1047 7.207,1048 5.027,1049 6.735,1050 1.909,1051 7.959,1052 6.713,1053 4.443,1054 5.112,1055 0.57,1056 8.116,1057 4.359,1058 8.012,1059 1.828,1060 9.607,1061 5.142,1062 6.624,1063 7.649,1064 1.689,1065 11.276,1066 6.526,1067 9.332,1068 1.782,1069 11.329,1070 4.045,1071 6.929,1072 8.125,1073 0.674,1074 13.112,1075 6.807,1076 10.695,1077 1.553,1078 13.101,1079 4.043,1080 8.482,1081 10.068,1082 1.417,1083 15.795,1084 8.353,1085 12.089,1086 1.545,1087 14.908,1088 3.757,1089 9.243,1090 10.99,1091 0.66,1092 18.005,1093 9.101,1094 13.507,1095 1.477,1096 16.741,1097 3.613,1098 10.548,1099 12.67,1100 1.203,1101 20.55,1102 10.401,1103 3.386,1104 1.44,1105 18.593,1106 3.22,1107 11.532,1108 13.826,1109 0.611,1110 22.922,1111 11.378,1112 2.875,1113 12.432,1114 20.46,1115 3.03,1116 12.745,1117 15.378,1118 1.023,1119 25.43,1120 12.587,1121 2.875,1122 10.096,1123 22.34,1124 4.344,1125 13.837,1126 16.66,1127 0.55,1128 27.876,1129 13.675,1130 2.828,1131 9.118,1132 24.229,1133 3.805,1134 15.022,1135 18.151,1136 0.869,1137 30.379,1138 14.858,1139 2.417,1140 9.118,1141 26.128,1142 3.805,1143 16.166,1144 19.504,1145 0.487,1146 32.861,1147 15.999,1148 2.38,1149 7.983,1150 28.034,1151 3.753,1152 17.35,1153 20.966,1154 0.735,1155 35.366,1156 17.18,1157 2.38,1158 6.783,1159 29.946,1160 3.264,1161 18.522,1162 22.36,1163 0.427,1164 37.865,1165 18.349,1166 76964,1167 112300,1168 41.72,1169 78.683,1170 88.963,1171 90.481,1172 92.696,1173 88.301,1174 88.31,1175 110.67,1176 9.795,1177 238.288,1178 85.809,1179 5.724,1180 5.76,1181 7.008,1182 5.41,1183 5.386,1184 7.344,1185 1.776,1186 20.432,1187 5.358,1188 28.106,1189 1.435,1190 1.459,1191 1.495,1192 1.424,1193 1.424,1194 1.785,1195 0.158,1196 3.843,1197 1.384,1198 4.072,1199 4.098,1200 4.031,1201 3.999,1202 7.427,1203 4.003,1204 3.953,1205 3.983,1206 3.889,1207 3.871,1208 6.467,1209 3.871,1210 3.925,1211 3.956,1212 3.861,1213 3.845,1214 4.886,1215 3.844,1216 3.876,1217 3.905,1218 3.81,1219 3.827,1220 4.847,1221 3.819,1222 3.771,1223 3.828,1224 3.659,1225 3.653,1226 4.793,1227 3.645,1228 3.757,1229 3.821,1230 3.609,1231 3.622,1232 4.738,1233 3.608,1234 3.7,1235 3.743,1236 3.598,1237 3.586,1238 4.529,1239 3.585,1240 3.609,1241 3.687,1242 3.463,1243 3.424,1244 4.394,1245 3.422,1246 0.077,1247 0.061,1248 0.115,1249 0.071,1250 0.055,1251 4.757,1252 0.07,1253 3.76,1254 0.015,1255 7.146,1256 0.201,1257 4.378,1258 0.054,1259 3.386,1260 4.344,1261 0.916,1262 12.432,1263 3.358,1264 2,1265 1.984,1266 2.08,1267 2.084,1268 1.382,1269 2.081,1270 1.913,1271 1.887,1272 2.051,1273 2.031,1274 1.378,1275 2.039,1276 1.913,1277 1.887,1278 2.047,1279 2.03,1280 1.229,1281 2.037,1282 1.889,1283 1.863,1284 2.01,1285 1.962,1286 1.211,1287 1.98,1288 1.774,1289 1.717,1290 1.995,1291 1.93,1292 1.188,1293 1.955,1294 1.769,1295 1.706,1296 1.993,1297 1.927,1298 1.085,1299 1.952,1300 1.672,1301 1.635,1302 1.864,1303 1.834,1304 1.065,1305 1.845,1306 1.595,1307 1.519,1308 1.857,1309 1.809,1310 1.061,1311 1.829,1312 4.828,1314 6.098,1316 7.575,1318 9.157,1320 10.803,1322 7.863,1327 12.075,1328 15.104,1329 3.513,1330 11.136,1333 4.91,1340 72.749,1341 163.357,1342 401.608,1343 554.278,1344 649.046,1345 689.021,1346 708.53,1347 156.111,1348 8.65,1349 86.63,1350 86.63,1351 30,1352 13.129,1353 4.858,1354 4.087,1355 114.67,1356 435,1357 456,1358 0.12,1359 449.744,1360 805.08,1361 1089.14,1362 88534,1364 40.953,1365 0.706,1366 0.607,1367 40.953,1368 35.22,1369 28.481,1370 0.459,1371 0.343,1372 21.076,1373 27.69,1374 20.468,1375 17.163,1376 28.481,1377 21.291,1378 23.133,1379 0.289,1380 0.186,1381 23.133,1382 14.882,1383 19.85,1384 0.187,1385 0.103,1386 19.85,1387 10.95,1388 16.343,1389 0.12,1390 0.056,1391 16.343,1392 7.648,1393 13.236,1394 0.078,1395 0.031,1396 13.236,1397 5.3,1398 0.196,1399 176.407,1400 0.155,1401 49.344,1402 0.308,1403 284,1404 702.624,1405 301.569,1406 683.731,1407 942.69,1408 646,1409 328,1410 683.786,1411 347.734,1412 702.015,1413 1024.46,1414 660,1415 6.91}
{0 CHEMBL396190,1 1.293,2 12.39,3 5.916,4 35.004,5 163.893,6 5.865,8 4.62,9 4.756,10 3.98,11 4.13,12 5.48,13 4.057,14 5.295,15 5.506,16 4.473,17 4.648,18 6.056,19 4.559,20 5.693,21 5.888,22 4.744,23 5.006,24 6.526,25 4.893,26 6.063,27 6.322,28 4.749,29 5.157,30 6.826,31 4.996,32 6.08,33 6.356,34 4.748,35 5.158,36 6.809,37 4.989,38 6.073,39 6.35,40 4.689,41 5.141,42 6.848,43 4.958,44 6.042,45 6.329,46 4.672,47 5.104,48 6.827,49 4.925,50 5.993,51 6.256,52 4.552,53 5.074,54 6.858,55 4.876,56 0.098,57 1.331,58 24.808,59 10.532,60 15.57,61 14.792,62 0.48,63 2.339,64 47.391,65 18.513,66 40.671,67 26.557,68 0.461,69 3.425,70 70.78,71 27.595,72 64.877,73 39.435,74 1.094,75 4.26,76 98.923,77 34.918,78 114.198,79 50.961,80 0.934,81 4.275,82 99.019,83 35.855,84 103.27,85 52.315,86 1.141,87 4.224,88 98.264,89 35.634,90 129.711,91 52.037,92 0.87,93 4.072,94 94.397,95 34.449,96 126.256,97 50.391,98 1.099,99 3.994,100 91.462,101 33.045,102 163.65,103 48.57,104 184,105 74,106 0.193,107 0.409,108 0.68,109 0.805,110 0.827,111 0.827,112 3.742,113 1.082,114 -6.38,115 -6.21,116 -5.77,121 36.1,122 9,123 6,124 5,125 4,126 2,127 1,129 3,137 1,138 1,158 1,160 2,176 23,179 2,180 13,187 35,192 21,200 35,205 1,206 21,214 31,219 16,227 36,231 3,232 17,239 35,244 12,251 36,255 3,256 15,264 20,269 13,277 15,281 3089,282 25.685,283 25.685,284 25.685,285 25.685,286 25.685,287 24.971,288 36.375,289 13.757,290 26.019,291 22.037,292 22.037,293 22.037,294 22.037,295 22.037,296 20.753,297 52.437,298 6.362,299 22.549,300 5.307,301 3.851,302 2.033,303 1.192,304 1.045,305 1.045,306 4.429,313 1079,314 5.701,317 61.887,318 219.537,319 69.838,321 102.532,322 132.253,323 233.219,325 1.95,326 47.931,329 0.5,330 0.67,331 0.67,332 0.8,333 1,334 0.67,335 1,336 0.76,337 87,338 508,339 4.999,340 4.103,341 8.711,342 4.993,343 3.995,344 4.012,345 2.443,346 17.663,347 3.988,348 4.657,349 4.002,350 7.869,351 4.606,352 3.615,353 3.752,354 2.178,355 14.628,356 3.583,357 4.381,358 3.775,359 7.074,360 4.287,361 3.291,362 3.511,363 1.835,364 11.53,365 3.273,366 4.069,367 3.619,368 7.029,369 3.999,370 3.009,371 3.244,372 0.8,373 11.315,374 2.984,375 3.947,376 3.316,377 6.359,378 3.698,379 2.732,380 3.081,381 0.68,382 9.23,383 2.669,384 3.778,385 3.056,386 6.082,387 3.618,388 2.645,389 2.846,390 0.413,391 8.423,392 2.545,393 3.606,394 2.805,395 6.008,396 3.404,397 2.41,398 2.753,399 0.286,400 8.219,401 2.388,402 3.435,403 2.654,404 5.837,405 3.302,406 2.312,407 2.445,409 7.701,410 2.285,411 3.232,412 2.553,413 5.504,414 3.132,415 2.199,416 2.238,418 6.717,419 2.035,420 2.981,421 2.34,422 5.123,423 2.894,424 1.915,425 1.981,427 5.596,428 1.874,429 2.72,430 2.192,431 4.912,432 2.527,433 1.535,434 1.661,436 4.536,437 1.518,438 2.615,439 1.877,440 4.398,441 2.399,442 1.409,443 1.582,445 3.899,446 1.374,447 2.408,448 1.76,449 4.322,450 2.279,451 1.304,452 1.371,454 3.565,455 1.268,456 2.389,457 1.538,458 3.968,459 2.179,460 1.226,461 1.341,463 2.972,464 1.148,465 2.011,466 1.348,467 3.87,468 1.89,469 0.914,470 0.955,472 2.283,473 0.885,474 19.633,475 0.479,476 1.908,477 0.047,478 30.75,479 0.75,480 5.5,481 0.134,482 25.25,483 0.616,484 79.847,485 1.947,486 49.367,487 0.509,488 22.617,489 0.552,490 3.896,491 0.095,492 15.04,493 0.367,494 0.314,495 0.102,496 0.326,501 0.711,502 1.467,503 1.028,504 1.362,505 0.656,506 1.247,507 0.78,508 0.978,509 0.853,510 0.935,511 0.524,512 0.9,513 1.017,514 1.386,515 1.167,516 1.355,517 0.873,518 1.286,519 1.398,520 1.037,521 1.15,522 1.043,523 1.223,524 1.066,525 1.142,526 0.999,527 1.005,528 1,529 1.042,530 0.99,531 1.069,532 1.01,533 1.048,534 1.026,535 1.155,536 1.036,537 1.037,538 0.966,539 0.947,540 0.958,541 1.342,542 0.947,543 1.053,544 1.212,545 1.238,546 1.232,547 1.407,548 1.252,549 14,550 0.51,551 9.556,552 5.986,553 4.783,554 3.13,555 2.389,556 1.507,557 0.832,558 0.61,559 22472,560 40332,561 1.953,562 57.7,563 32,564 12,568 4,569 7,570 1,572 1.812,573 1.72,574 3.531,575 -0.848,582 125.455,583 1.293,584 2.749,585 4.567,586 5.408,587 5.555,588 5.555,589 3.052,590 4.998,591 5.324,592 3.734,593 3061.78,594 9.448,595 48873,600 640.192,601 1.888,602 5.205,603 0.311,604 0.012,605 0.129,606 0.066,607 0.056,608 0.036,609 0.03,610 0.019,611 0.013,612 0.013,613 0.684,614 0.17,615 0.63,616 1.275,617 225.825,618 0.03,619 -0.097,620 0.071,621 -0.03,622 -0.051,623 0.017,624 0.129,625 0.227,626 0.208,627 0.221,628 0.095,629 0.225,630 -0.036,631 -0.174,632 -0.096,633 -0.173,634 -0.008,635 -0.144,636 -0.119,637 -0.007,638 -0.106,639 -0.03,640 -0.096,641 -0.062,642 -0.057,644 0.001,645 0.005,646 -0.034,647 0.009,648 0.004,649 -0.014,650 -0.045,651 -0.023,652 -0.005,653 -0.038,654 -0.035,655 0.012,656 0.04,657 0.036,658 -0.018,659 0.044,660 -0.008,661 -0.171,662 -0.223,663 -0.206,664 -0.013,665 -0.234,666 1.809,667 7.257,668 0.537,669 46.22,670 0.983,671 1.134,672 5.152,673 26.545,674 0.612,675 3.829,676 4.317,677 4.663,678 4.977,679 5.318,680 5.576,681 5.826,682 6.035,683 6.211,684 6.436,685 7.234,686 0.558,687 568.93,688 3.829,689 5.476,690 6.392,691 7.356,692 8.302,693 9.27,694 10.23,695 11.203,696 12.171,697 13.147,698 2.1,701 1,707 1,741 97,743 4,745 45,747 101,748 35,756 5,757 15,763 9,764 4,766 3,767 8,768 4,770 9,772 5,773 30,774 5,777 4,782 2,784 1,785 1,786 4,793 56,794 6,796 6,802 2,808 0.2,809 4,828 1,829 3,830 1,832 1,833 1,834 2,841 1,846 1,849 1,850 1,855 1,858 1,859 1,864 11,868 41,876 7,878 2,880 8,881 1,882 4,893 4.1,896 2,898 2,901 23.833,902 20.567,903 8.382,904 6.389,907 0.81,908 1.086,909 0.881,910 7.87,911 10.207,912 3.912,913 4.443,914 4.836,915 5.182,916 5.587,917 5.883,918 6.174,919 6.438,920 6.685,921 6.928,922 1,923 91,924 15.532,926 6.967,927 0.026,929 7.52,931 30.914,933 28.141,936 2.02,937 82.833,941 659.182,942 145.82,943 19.91,945 72.29,948 145.82,949 731.471,950 19.91,951 96.22,952 19.8,953 9.476,954 67.429,955 45.095,957 659.182,959 659.182,960 165.73,961 72.29,964 565.013,965 166.458,968 119.136,969 37.118,970 9.476,972 659.182,973 92.199,974 145.82,977 659.182,978 40.125,979 108.82,981 89.075,982 659.182,983 92.199,984 145.82,986 0.629,987 0.378,988 0.185,989 0.109,990 40,991 21,992 0.059,993 6,994 4,995 1.364,996 4.358,997 474.294,998 0.364,999 22,1000 208.905,1005 31.086,1006 10.38,1007 4.832,1009 92.199,1018 897.202,1019 49,1024 27.505,1026 2.44,1027 5.113,1028 2.646,1031 95.37,1032 110.045,1034 0.196,1035 0.417,1036 0.692,1037 0.819,1038 0.842,1039 0.842,1040 5.328,1041 2.312,1042 6.524,1043 8.219,1044 5.004,1045 5.13,1046 3.278,1047 7.564,1048 4.967,1049 6.582,1050 2.199,1051 8.255,1052 7.701,1053 5.165,1054 5.293,1055 2.977,1056 9.206,1057 5.137,1058 7.97,1059 1.915,1060 10.107,1061 6.717,1062 6.921,1063 7.143,1064 4.504,1065 12.373,1066 6.869,1067 9.388,1068 1.535,1069 12.034,1070 5.596,1071 7.82,1072 8.017,1073 4.862,1074 14.811,1075 7.782,1076 10.84,1077 1.409,1078 14.011,1079 4.536,1080 9.228,1081 9.494,1082 6.002,1083 17.695,1084 9.177,1085 12.316,1086 1.304,1087 16.023,1088 3.899,1089 10.401,1090 10.639,1091 6.622,1092 20.403,1093 10.358,1094 13.812,1095 1.226,1096 18.061,1097 3.565,1098 11.735,1099 12.011,1100 7.612,1101 23.243,1102 11.687,1103 3.995,1104 0.914,1105 20.122,1106 2.972,1107 13.011,1108 13.267,1109 8.354,1110 26.042,1111 12.966,1112 3.615,1113 17.663,1114 22.199,1115 2.283,1116 14.339,1117 14.614,1118 9.28,1119 28.884,1120 14.293,1121 3.291,1122 14.628,1123 24.29,1124 4.012,1125 15.658,1126 15.92,1127 10.086,1128 31.718,1129 15.612,1130 3.009,1131 11.53,1132 26.392,1133 3.752,1134 16.996,1135 17.264,1136 10.984,1137 34.568,1138 16.95,1139 2.732,1140 11.315,1141 28.503,1142 3.511,1143 18.336,1144 18.596,1145 11.823,1146 37.418,1147 18.289,1148 2.645,1149 9.23,1150 30.623,1151 3.244,1152 19.684,1153 19.944,1154 12.71,1155 40.274,1156 19.637,1157 2.41,1158 8.423,1159 32.748,1160 3.081,1161 21.036,1162 21.29,1163 13.568,1164 43.132,1165 20.988,1166 21920,1167 29410,1168 27.452,1169 59.387,1170 72.086,1171 74.887,1172 76.98,1173 71.063,1174 71.122,1175 75.82,1176 17.271,1177 242.076,1178 69.631,1179 5.999,1180 6.089,1181 7.982,1182 6.103,1183 5.995,1184 6.541,1185 4.174,1186 27.482,1187 5.988,1188 31.039,1189 1.602,1190 1.664,1191 1.711,1192 1.579,1193 1.58,1194 1.685,1195 0.384,1196 5.379,1197 1.547,1198 4.139,1199 4.172,1200 4.058,1201 4.057,1202 7.432,1203 4.052,1204 3.975,1205 4.01,1206 3.899,1207 3.881,1208 7.425,1209 3.879,1210 3.79,1211 3.83,1212 3.695,1213 3.649,1214 4.864,1215 3.65,1216 3.728,1217 3.784,1218 3.616,1219 3.59,1220 4.577,1221 3.588,1222 3.64,1223 3.707,1224 3.51,1225 3.492,1226 4.397,1227 3.485,1228 3.521,1229 3.584,1230 3.38,1231 3.36,1232 4.317,1233 3.354,1234 3.441,1235 3.502,1236 3.282,1237 3.3,1238 4.246,1239 3.286,1240 3.364,1241 3.418,1242 3.218,1243 3.211,1244 4.121,1245 3.206,1246 0.111,1247 0.091,1248 0.194,1249 0.111,1250 0.089,1251 4.999,1252 0.089,1253 4.103,1254 0.054,1255 8.711,1256 0.393,1257 4.993,1258 0.089,1259 3.995,1260 4.012,1261 2.443,1262 17.663,1263 3.988,1264 1.983,1265 1.952,1266 2.123,1267 2.101,1268 1.573,1269 2.109,1270 1.963,1271 1.93,1272 2.115,1273 2.072,1274 1.521,1275 2.087,1276 1.785,1277 1.745,1278 1.989,1279 1.965,1280 1.348,1281 1.971,1282 1.724,1283 1.668,1284 1.952,1285 1.898,1286 1.172,1287 1.919,1288 1.678,1289 1.624,1290 1.92,1291 1.846,1292 1.138,1293 1.872,1294 1.5,1295 1.447,1296 1.761,1297 1.696,1298 1.088,1299 1.719,1300 1.477,1301 1.404,1302 1.743,1303 1.661,1304 1.025,1305 1.695,1306 1.419,1307 1.35,1308 1.7,1309 1.62,1310 0.935,1311 1.651,1312 4.511,1314 5.958,1315 2.398,1316 7.597,1317 5.13,1318 9.333,1319 7.526,1320 11.126,1322 23.748,1328 6.004,1330 12.71,1332 1.345,1333 2.249,1334 -0.926,1340 54.126,1341 125.455,1342 266.668,1343 443.016,1344 524.604,1345 538.868,1346 538.868,1347 130.945,1348 9.397,1349 68.2,1350 68.2,1351 30,1352 13.621,1353 2.322,1354 2.322,1355 66.012,1356 177,1357 205,1358 0.187,1359 327.399,1360 598.86,1361 790.615,1362 165558,1364 30.284,1365 0.739,1366 0.675,1367 30.284,1368 27.673,1369 18.936,1370 0.421,1371 0.361,1372 16.088,1373 18.392,1374 15.146,1375 12.655,1376 18.936,1377 16.234,1378 20.121,1379 0.272,1380 0.224,1381 20.121,1382 16.6,1383 16.981,1384 0.162,1385 0.121,1386 16.981,1387 12.668,1388 13.536,1389 0.094,1390 0.068,1391 13.536,1392 9.799,1393 11.726,1394 0.058,1395 0.039,1396 11.726,1397 7.837,1398 0.286,1399 117.648,1400 0.191,1401 35.378,1402 0.544,1403 238,1404 496.232,1405 254.091,1406 473.592,1407 647.96,1408 442,1409 298,1410 477.316,1411 315.952,1412 490.122,1413 726.63,1414 454,1415 6.076}
{0 CHEMBL396199,1 1.39,2 13.781,3 3.648,4 13.307,5 124.881,6 7.176,7 0.514,8 4.179,9 4.283,10 3.722,11 3.722,12 5.271,13 3.699,14 4.718,15 4.885,16 4.075,17 4.114,18 5.756,19 4.081,20 4.939,21 5.094,22 4.174,23 4.323,24 5.96,25 4.244,26 5.166,27 5.413,28 4.148,29 4.339,30 6.094,31 4.232,32 5.081,33 5.281,34 4.088,35 4.314,36 6.106,37 4.212,38 5.096,39 5.342,40 3.913,41 4.26,42 6.02,43 4.112,44 4.922,45 5.186,46 3.776,47 4.085,48 5.803,49 3.939,50 4.693,51 4.906,52 3.713,53 3.921,54 5.696,55 3.82,56 0.012,57 0.776,58 12.66,59 5.865,60 9.301,61 7.419,62 0.365,63 1.286,64 24.342,65 9.255,66 31.19,67 11.94,68 0.205,69 1.586,70 29.166,71 12.869,72 27.899,73 16.718,74 0.419,75 1.91,76 40.75,77 15.541,78 53.081,79 21.388,80 0.454,81 1.75,82 36.293,83 14.177,84 58.006,85 18.566,86 0.43,87 1.75,88 37.999,89 15.038,90 60.314,91 20.534,92 0.321,93 1.48,94 32.064,95 12.774,96 45.762,97 17.89,98 0.358,99 1.178,100 24.953,101 9.624,102 42.335,103 12.738,104 30,105 50,106 0.224,107 0.517,108 0.673,109 0.759,110 0.787,111 0.798,112 3.502,113 0.918,114 -1.79,115 -1.85,116 -1.87,121 45,126 4,127 2,137 1,138 1,144 11,145 4,146 3,160 1,176 16,179 1,180 6,187 18,189 2,191 1,192 8,200 14,203 4,205 1,206 8,214 8,216 4,218 1,219 7,227 10,229 2,231 1,232 4,239 13,241 1,243 1,244 3,251 13,253 1,256 4,258 2,264 10,266 1,269 3,277 7,279 1,281 1770,282 21.497,283 21.497,284 21.497,285 21.497,286 21.497,287 19.061,288 23.951,289 12.497,290 22.055,291 17.184,292 17.184,293 17.184,294 17.184,295 17.184,296 13.36,297 31.635,298 5.812,299 17.906,300 4.516,301 2.697,302 1.73,303 1.196,304 1.017,305 0.95,306 4.196,311 1,312 1,313 949,314 3.808,318 415.494,322 158.939,325 2.184,326 25.062,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 68.5,338 441,339 4.511,340 3.729,341 6.776,342 4.166,343 3.244,344 4.166,345 1.674,346 11.206,347 3.077,348 4.307,349 3.65,350 6.553,351 4.118,352 3.147,353 3.838,354 1.31,355 10.395,356 2.978,357 4.223,358 3.234,359 6.271,360 3.845,361 2.872,362 3.533,363 0.86,364 9.453,365 2.784,366 3.88,367 2.744,368 5.834,369 3.481,370 2.505,371 3.374,372 0.86,373 7.949,374 2.457,375 3.758,376 2.698,377 5.381,378 3.374,379 2.4,380 3.088,381 0.359,382 7.013,383 2.32,384 3.593,385 2.573,386 5.209,387 3.223,388 2.244,389 2.894,390 0.13,391 6.509,392 2.179,393 3.291,394 2.349,395 4.98,396 2.895,397 1.921,398 2.481,400 5.646,401 1.857,402 3.103,403 2.211,404 4.722,405 2.685,406 1.724,407 2.301,409 5.029,410 1.645,411 2.866,412 1.686,413 4.151,414 2.429,415 1.432,416 2.018,418 3.445,419 1.427,420 2.657,421 1.526,422 3.673,423 2.192,424 1.286,425 1.597,427 3.056,428 1.153,429 2.5,430 1.172,431 3.425,432 2,433 1,434 1.5,436 2.275,437 1,438 2.5,439 1.005,440 3.414,441 2,442 1,443 1.5,445 2.136,446 1,447 2.02,448 1,449 3.283,450 1.613,451 0.669,452 0.853,454 1.503,455 0.621,456 1.496,457 1,458 3.247,459 1.233,460 0.384,461 0.415,463 0.532,464 0.323,465 1.355,466 0.766,467 2.859,468 1.082,469 0.117,470 0.137,472 0.29,473 0.113,474 15.233,475 0.476,476 0.878,477 0.027,478 42.75,479 1.336,480 22.5,481 0.703,482 20.25,483 0.633,484 26.152,485 0.817,486 34.267,487 0.571,488 35.382,489 1.106,490 8.972,491 0.28,492 6.409,493 0.2,494 0.153,495 0.026,496 0.295,501 0.809,502 1.307,503 0.802,504 1.145,505 0.651,506 0.998,507 1.181,508 0.739,509 0.873,510 0.7,511 0.643,512 0.715,513 0.775,514 1.333,515 1.06,516 1.304,517 0.718,518 1.24,519 0.773,520 0.938,521 0.811,522 0.905,523 0.748,524 0.867,525 1.133,526 1.081,527 1.14,528 1.096,529 1.231,530 1.114,531 0.783,532 0.984,533 0.995,534 1.022,535 0.997,536 1.041,537 0.51,538 0.924,539 0.794,540 0.93,541 0.567,542 0.911,543 1.073,544 0.932,545 1.028,546 0.951,547 1.587,548 0.981,549 8,550 0.223,551 3.556,552 2.563,553 2.422,554 1.125,555 0.947,556 0.436,557 0.357,558 0.242,559 15073,560 36216,561 2.056,562 46.7,564 28,572 1.741,573 1.91,574 3.716,575 -0.836,577 1,582 83.426,583 1.39,584 3.21,585 4.176,586 4.711,587 4.89,588 4.957,589 3.254,590 4.563,591 4.969,592 3.9,593 1934.37,594 8.671,595 28899.3,597 1,600 354.413,601 1.574,602 4.918,603 0.229,604 0.009,605 0.071,606 0.049,607 0.048,608 0.024,609 0.025,610 0.013,611 0.011,612 0.008,613 0.488,614 0.5,615 1,616 0.825,617 170.176,618 0.007,619 -0.191,620 0.073,621 -0.102,622 -0.041,623 -0.022,624 -0.045,625 0.365,626 0.094,627 0.276,628 0.104,629 0.226,630 0.058,631 -0.296,632 -0.15,633 -0.278,634 0.015,635 -0.252,636 0.089,637 0.043,638 0.175,639 0.07,640 0.125,641 0.127,642 -0.055,643 -0.081,644 -0.161,645 -0.111,646 -0.07,647 -0.145,648 0.04,649 -0.032,650 -0.02,651 -0.032,652 -0.003,653 -0.035,654 0.15,655 0.023,656 0.174,657 0.062,658 0.164,659 0.112,660 -0.004,661 0.06,662 -0.04,663 0.03,664 -0.138,665 -0.008,666 2.044,667 5.663,668 0.688,669 36.77,670 0.997,671 1.116,672 0.562,673 0.316,674 0.668,675 3.584,676 3.932,677 4.174,678 4.454,679 4.7,680 4.762,681 4.934,682 5.081,683 5.147,684 5.153,685 7.909,686 0.633,687 430.56,688 3.584,689 5.142,690 5.989,691 6.882,692 7.746,693 8.643,694 9.514,695 10.412,696 11.288,697 12.187,698 1.7,712 1,715 11,720 7,722 18,739 2,741 60,743 20,744 3,745 35,747 63,748 27,749 18,750 7,751 11,752 3,756 4,757 5,772 21,773 6,777 2,782 1,784 1,786 2,790 1,793 28,794 4,796 5,802 1,803 1,807 1,808 0.75,809 4,829 4,833 1,846 1,849 1,850 1,859 3,864 4,868 32,876 2,878 3,883 1,893 6.7,896 1,898 3,901 16.75,902 12.167,903 7.028,904 3.458,907 3.62,908 1.455,909 0.958,910 6.356,911 11.581,912 3.85,913 4.449,914 4.999,915 5.562,916 6.13,917 6.365,918 6.768,919 7.171,920 7.486,921 7.75,922 1,923 52,924 11.821,926 4.949,927 0.026,929 7.656,931 22.716,933 18.43,936 2.156,937 69,940 1,941 329.591,942 195.335,945 58.145,948 195.335,949 387.735,951 38.559,952 4.211,953 113.715,954 32.336,955 64.658,957 329.591,959 329.591,960 195.335,961 58.145,964 329.591,965 58.145,968 4.211,969 181.647,970 9.476,972 329.591,973 58.145,974 195.335,977 329.591,978 43.061,979 152.274,981 58.145,982 329.591,983 58.145,984 195.335,986 0.584,987 0.338,988 0.187,989 0.103,990 24,991 11,992 0.111,993 7,994 1,995 1.091,996 4.291,997 290.191,998 0.091,999 22,1000 150,1005 22.128,1006 9.192,1007 5.062,1009 58.145,1010 22.131,1015 5.716,1018 583.07,1019 46,1024 12.663,1026 1.841,1028 0.145,1031 59.84,1032 66.941,1034 0.235,1035 0.543,1036 0.707,1037 0.797,1038 0.828,1039 0.839,1040 5.103,1041 1.724,1042 6.009,1043 5.646,1044 4.615,1045 5.136,1046 2.532,1047 6.851,1048 4.54,1049 6.329,1050 1.432,1051 7.59,1052 5.029,1053 4.369,1054 4.966,1055 0.931,1056 7.953,1057 4.229,1058 7.653,1059 1.286,1060 9.275,1061 3.445,1062 6.286,1063 7.31,1064 3.109,1065 10.96,1066 6.13,1067 9.008,1068 1,1069 11.018,1070 3.056,1071 6.815,1072 7.877,1073 1.505,1074 12.826,1075 6.577,1076 10.39,1077 1,1078 12.8,1079 2.275,1080 8.247,1081 9.736,1082 3.952,1083 15.405,1084 7.994,1085 11.79,1086 0.669,1087 14.606,1088 2.136,1089 9.116,1090 10.661,1091 2.008,1092 17.573,1093 8.781,1094 13.205,1095 0.384,1096 16.429,1097 1.503,1098 10.367,1099 12.3,1100 4.902,1101 20.016,1102 10.006,1103 3.244,1104 0.117,1105 18.265,1106 0.532,1107 11.392,1108 13.423,1109 2.509,1110 22.31,1111 10.955,1112 3.147,1113 11.206,1114 20.112,1115 0.29,1116 12.575,1117 14.949,1118 5.895,1119 24.71,1120 12.1,1121 2.872,1122 10.395,1123 21.966,1124 4.166,1125 13.67,1126 16.189,1127 3.021,1128 27.057,1129 13.127,1130 2.505,1131 9.453,1132 23.826,1133 3.838,1134 14.831,1135 17.655,1136 6.906,1137 29.446,1138 14.242,1139 2.4,1140 7.949,1141 25.693,1142 3.533,1143 15.958,1144 18.964,1145 3.544,1146 31.817,1147 15.306,1148 2.244,1149 7.013,1150 27.563,1151 3.374,1152 17.113,1153 20.4,1154 7.926,1155 34.205,1156 16.41,1157 1.921,1158 6.509,1159 29.438,1160 3.088,1161 18.256,1162 21.75,1163 4.073,1164 36.589,1165 17.494,1166 14389,1167 22564,1168 23.057,1169 40.103,1170 52.695,1171 53.799,1172 53.839,1173 51.875,1174 51.891,1175 67.392,1176 10.386,1177 152.875,1178 49.869,1179 5.404,1180 5.729,1181 6.578,1182 5.257,1183 5.244,1184 7.166,1185 3.349,1186 18.082,1187 5.077,1188 16.927,1189 1.506,1190 1.537,1191 1.538,1192 1.482,1193 1.483,1194 1.925,1195 0.297,1196 4.368,1197 1.425,1198 4.061,1199 4.087,1200 4.016,1201 3.982,1202 7.433,1203 3.986,1204 3.953,1205 3.982,1206 3.887,1207 3.863,1208 4.967,1209 3.863,1210 3.865,1211 3.888,1212 3.803,1213 3.802,1214 4.77,1215 3.801,1216 3.676,1217 3.738,1218 3.575,1219 3.493,1220 4.723,1221 3.505,1222 3.484,1223 3.496,1224 3.418,1225 3.31,1226 4.528,1227 3.328,1228 3.249,1229 3.314,1230 3.063,1231 2.953,1232 4.494,1233 2.965,1234 3.154,1235 3.219,1236 2.994,1237 2.932,1238 4.286,1239 2.934,1240 2.993,1241 3.065,1242 2.881,1243 2.854,1244 3.952,1245 2.837,1246 0.129,1247 0.107,1248 0.194,1249 0.119,1250 0.093,1251 4.511,1252 0.119,1253 3.729,1254 0.048,1255 6.776,1256 0.32,1257 4.166,1258 0.088,1259 3.244,1260 4.166,1261 1.674,1262 11.206,1263 3.077,1264 2,1265 1.983,1266 2.11,1267 2.113,1268 1.35,1269 2.115,1270 1.932,1271 1.902,1272 2.042,1273 2.05,1274 1.179,1275 2.042,1276 1.857,1277 1.838,1278 1.957,1279 1.947,1280 1.086,1281 1.956,1282 1.638,1283 1.572,1284 1.848,1285 1.835,1286 0.974,1287 1.844,1288 1.405,1289 1.384,1290 1.602,1291 1.623,1292 0.663,1293 1.606,1294 1.191,1295 1.116,1296 1.575,1297 1.524,1298 0.574,1299 1.539,1300 1.134,1301 1.061,1302 1.437,1303 1.37,1304 0.556,1305 1.393,1306 1.019,1307 0.947,1308 1.417,1309 1.239,1310 0.511,1311 1.308,1312 4.263,1314 5.602,1316 7.138,1318 8.761,1320 10.43,1322 7.582,1328 1.834,1330 16.251,1335 0.836,1340 37.992,1341 83.426,1342 192.585,1343 250.585,1344 282.639,1345 293.394,1346 297.394,1347 55.472,1348 7.961,1349 48.67,1350 48.67,1351 24,1352 12.714,1353 4.392,1354 3.585,1355 52.174,1356 153,1357 150,1358 0.166,1359 232.232,1360 411.96,1361 558.405,1362 33718,1364 22.717,1365 0.71,1366 0.593,1367 22.717,1368 18.975,1369 15.38,1370 0.439,1371 0.306,1372 10.533,1373 14.757,1374 10.128,1375 8.528,1376 15.38,1377 10.715,1378 14.298,1379 0.286,1380 0.178,1381 14.298,1382 8.893,1383 11.478,1384 0.179,1385 0.089,1386 11.478,1387 5.712,1388 9.874,1389 0.116,1390 0.05,1391 9.874,1392 4.213,1393 8.097,1394 0.074,1395 0.026,1396 8.097,1397 2.834,1398 0.267,1399 96.761,1400 0.208,1401 30.281,1402 0.44,1403 170,1404 473.275,1405 184.398,1406 451.421,1407 619.64,1408 424,1409 199,1410 455.69,1411 215.066,1412 467.697,1413 679.61,1414 434,1415 7.979}
{0 CHEMBL396247,1 1.434,2 13.879,3 4.463,4 19.921,5 128.375,6 7.426,7 0.5,8 4.187,9 4.282,10 3.748,11 3.728,12 5.32,13 3.714,14 4.707,15 4.857,16 4.071,17 4.094,18 5.801,19 4.066,20 4.906,21 5.068,22 4.183,23 4.261,24 5.965,25 4.204,26 5.054,27 5.261,28 4.157,29 4.283,30 6.063,31 4.203,32 5.09,33 5.296,34 4.121,35 4.279,36 6.14,37 4.198,38 5.04,39 5.252,40 4.04,41 4.257,42 6.076,43 4.152,44 4.997,45 5.233,46 3.931,47 4.166,48 6.019,49 4.047,50 4.85,51 5.076,52 3.774,53 3.991,54 5.891,55 3.885,56 0.038,57 0.767,58 12.133,59 5.886,60 11.022,61 7.119,62 0.382,63 1.25,64 23.225,65 9.219,66 36.658,67 11.405,68 0.351,69 1.522,70 28.132,71 11.892,72 33.84,73 15.193,74 0.4,75 1.727,76 34.783,77 13.58,78 46.685,79 17.985,80 0.61,81 1.725,82 37.278,83 13.903,84 69.739,85 17.833,86 0.441,87 1.654,88 34.792,89 13.985,90 60.411,91 18.398,92 0.42,93 1.578,94 34.209,95 13.436,96 63.505,97 18.129,98 0.504,99 1.341,100 29.972,101 11.056,102 63.952,103 14.529,104 27,105 49,106 0.231,107 0.551,108 0.709,109 0.795,110 0.824,111 0.834,112 3.532,113 0.898,114 -4.7,115 -4.62,116 -4.34,121 45,126 2,127 4,137 1,138 1,144 11,145 4,146 3,160 1,176 16,179 1,180 8,187 18,191 1,192 12,195 1,200 14,205 1,206 12,214 8,218 1,219 9,224 2,227 10,231 1,232 5,237 4,239 13,243 1,244 4,249 4,251 13,255 2,256 5,261 2,264 10,269 4,274 1,277 7,281 1934,282 22.781,283 22.781,284 22.781,285 22.781,286 22.781,287 20.346,288 24.319,289 13.601,290 23.358,291 17.651,292 17.651,293 17.651,294 17.651,295 17.651,296 13.814,297 31.41,298 6.258,299 18.388,300 4.473,301 2.486,302 1.505,303 0.971,304 0.792,305 0.725,306 4.229,311 1,312 1,313 982,314 3.674,318 434.408,322 166.534,325 2.2,326 30.472,329 1,330 1,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.88,337 71.5,338 458,339 4.511,340 3.729,341 6.553,342 4.125,343 3.149,344 4.166,345 1.674,346 10.396,347 3.074,348 4.246,349 3.234,350 6.271,351 3.854,352 2.882,353 3.833,354 0.995,355 9.454,356 2.796,357 3.97,358 3.087,359 5.835,360 3.679,361 2.719,362 3.46,363 0.86,364 8.023,365 2.617,366 3.88,367 2.735,368 5.669,369 3.481,370 2.501,371 3.362,372 0.86,373 7.894,374 2.457,375 3.66,376 2.698,377 5.346,378 3.314,379 2.352,380 2.99,381 0.359,382 6.96,383 2.239,384 3.378,385 2.516,386 5.052,387 3.067,388 2.102,389 2.551,391 5.888,392 2.015,393 3.23,394 2.249,395 4.861,396 2.874,397 1.908,398 2.378,400 5.523,401 1.829,402 3.087,403 2.193,404 4.71,405 2.681,406 1.719,407 2.26,409 4.989,410 1.642,411 2.837,412 1.689,413 4.148,414 2.428,415 1.436,416 1.952,418 3.442,419 1.423,420 2.655,421 1.598,422 3.594,423 2.196,424 1.29,425 1.595,427 3.041,428 1.156,429 2.5,430 1.424,431 3.414,432 2,433 1.018,434 1.5,436 2.275,437 1,438 2.5,439 1.16,440 3.407,441 2,442 1,443 1.5,445 2.136,446 1,447 2.067,448 1.003,449 3.247,450 1.935,451 1,452 1.053,454 1.774,455 0.925,456 2.011,457 1,458 3.125,459 1.606,460 0.663,461 0.846,463 1.466,464 0.615,465 1.496,466 1,467 2.899,468 1.233,469 0.384,470 0.415,472 0.531,473 0.323,474 15.567,475 0.472,476 0.653,477 0.02,478 43.25,479 1.311,480 22.5,481 0.682,482 20.75,483 0.629,484 26.829,485 0.813,486 35.433,487 0.591,488 35.839,489 1.086,490 9.133,491 0.277,492 6.972,493 0.211,494 0.107,496 0.315,501 0.841,502 1.216,503 0.787,504 1.101,505 0.75,506 0.962,507 1.122,508 0.885,509 0.927,510 0.828,511 0.777,512 0.827,513 0.806,514 1.153,515 0.954,516 1.111,517 0.72,518 1.067,519 0.82,520 1.098,521 0.928,522 1.064,523 0.749,524 1.018,525 1.17,526 0.937,527 1.052,528 0.941,529 1.23,530 0.967,531 0.831,532 1.036,533 0.994,534 1.071,535 0.939,536 1.066,537 0.724,538 1.016,539 0.91,540 1.028,541 0.87,542 1.011,543 1.07,544 0.905,545 1.038,546 0.93,547 1.45,548 0.974,549 6.5,550 0.202,551 3.111,552 2.063,553 2.102,554 1.028,555 0.867,556 0.46,557 0.323,558 0.224,559 16342,560 43723,561 2.079,562 45,564 26,567 1,572 1.75,573 1.96,574 3.738,575 -0.412,582 86.04,583 1.434,584 3.421,585 4.402,586 4.936,587 5.115,588 5.182,589 3.253,590 4.635,591 5.014,592 3.922,593 2070.8,594 8.769,595 31917.6,597 1,600 354.413,601 1.35,602 4.982,603 0.181,604 0.007,605 0.063,606 0.039,607 0.042,608 0.021,609 0.02,610 0.012,611 0.01,612 0.008,613 0.403,614 0.17,615 1,616 0.989,617 177.395,618 -0.037,619 -0.116,620 0.05,621 -0.053,622 -0.073,623 0.002,624 -0.069,625 0.197,626 0.006,627 0.162,628 -0.009,629 0.114,630 0.056,631 -0.106,632 -0.041,633 -0.104,634 0.017,635 -0.094,636 0.038,637 -0.083,638 0.03,639 -0.08,640 0.046,641 -0.033,642 -0.081,643 0.049,644 -0.056,645 0.034,646 -0.083,647 0.002,648 0.019,649 -0.066,650 -0.032,651 -0.07,652 0.027,653 -0.062,654 0.069,655 -0.062,656 0.066,657 -0.034,658 0.073,659 0.006,660 -0.04,661 0.062,662 -0.03,663 0.043,664 -0.126,665 0.01,666 2.076,667 5.664,668 0.667,669 39.207,670 1.004,671 1.116,672 3.474,673 12.069,674 0.67,675 3.611,676 3.912,677 4.19,678 4.454,679 4.718,680 4.796,681 4.949,682 5.094,683 5.193,684 5.198,685 8.073,686 0.641,687 445.55,688 3.611,689 5.142,690 5.989,691 6.862,692 7.728,693 8.608,694 9.482,695 10.366,696 11.245,697 12.132,698 1.7,701 1,715 11,720 7,722 18,739 2,741 60,743 20,744 3,745 36,747 63,748 27,749 18,750 7,751 11,752 3,756 4,757 5,763 1,772 21,773 6,777 2,782 1,784 1,786 2,793 27,794 6,795 1,796 6,802 1,808 0.75,809 5,810 1,829 4,833 1,846 1,849 1,850 1,855 1,857 1,859 3,864 2,868 33,875 1,876 4,878 3,881 1,893 8.3,894 1,896 1,898 3,901 16.833,902 11.317,903 7.528,904 3.358,907 3.594,908 1.449,909 0.956,910 7.452,911 11.6,912 3.871,913 4.437,914 5.006,915 5.554,916 6.128,917 6.367,918 6.763,919 7.163,920 7.511,921 7.766,922 1,923 53,924 12.195,926 5.098,927 0.026,929 7.758,931 23.234,933 18.674,936 2.258,937 74.5,940 1,941 306.049,942 180.648,943 3.124,945 100.828,948 180.648,949 406.877,950 3.124,951 21.766,952 6.317,953 156.398,954 32.336,955 67.782,957 306.049,959 306.049,960 183.772,961 100.828,964 306.049,965 58.145,966 42.683,968 9.441,969 164.854,970 9.476,972 306.049,973 103.952,974 180.648,977 306.049,978 45.167,979 138.605,981 100.828,982 306.049,983 103.952,984 180.648,986 0.566,987 0.339,988 0.19,989 0.107,990 22,991 10,992 0.143,993 9,994 1,995 1.091,996 4.418,997 298.798,998 0.091,999 22,1000 156.465,1005 23.055,1006 10.666,1007 5.451,1009 103.952,1010 21.497,1015 5.349,1017 42.683,1018 590.649,1019 47,1024 12.664,1026 1.811,1028 0.075,1031 60.225,1032 66.943,1034 0.243,1035 0.579,1036 0.745,1037 0.836,1038 0.866,1039 0.877,1040 5.097,1041 1.719,1042 5.958,1043 5.523,1044 4.595,1045 5.124,1046 2.452,1047 6.753,1048 4.524,1049 6.287,1050 1.436,1051 7.504,1052 4.989,1053 4.111,1054 4.832,1055 0.325,1056 7.6,1057 4.017,1058 7.584,1059 1.29,1060 9.147,1061 3.442,1062 6.172,1063 7.271,1064 3.014,1065 10.691,1066 6.045,1067 8.914,1068 1.018,1069 10.847,1070 3.041,1071 6.509,1072 7.782,1073 0.504,1074 12.343,1075 6.354,1076 10.276,1077 1,1078 12.583,1079 2.275,1080 8.013,1081 9.687,1082 3.869,1083 14.938,1084 7.837,1085 11.659,1086 1,1087 14.344,1088 2.136,1089 8.742,1090 10.589,1091 0.585,1092 16.943,1093 8.534,1094 13.06,1095 0.663,1096 16.122,1097 1.774,1098 10.013,1099 12.252,1100 4.843,1101 19.359,1102 9.787,1103 3.149,1104 0.384,1105 17.914,1106 1.466,1107 10.937,1108 13.368,1109 0.622,1110 21.529,1111 10.681,1112 2.882,1113 10.396,1114 19.717,1115 0.531,1116 12.109,1117 14.907,1118 5.856,1119 23.878,1120 11.835,1121 2.719,1122 9.454,1123 21.528,1124 4.166,1125 13.131,1126 16.146,1127 0.639,1128 26.126,1129 12.828,1130 2.501,1131 8.023,1132 23.347,1133 3.833,1134 14.265,1135 17.62,1136 6.881,1137 28.453,1138 13.942,1139 2.352,1140 7.894,1141 25.172,1142 3.46,1143 15.336,1144 18.93,1145 0.646,1146 30.738,1147 14.987,1148 2.102,1149 6.96,1150 27.002,1151 3.362,1152 16.458,1153 20.37,1154 7.91,1155 33.06,1156 16.087,1157 1.908,1158 5.888,1159 28.837,1160 2.99,1161 17.555,1162 21.723,1163 0.648,1164 35.365,1165 17.16,1166 15641,1167 25765,1168 24.156,1169 40.176,1170 52.968,1171 54.521,1172 54.833,1173 52.427,1174 52.466,1175 67.98,1176 9.496,1177 148.102,1178 50.431,1179 5.404,1180 5.729,1181 6.355,1182 5.216,1183 5.149,1184 7.166,1185 3.349,1186 17.269,1187 5.074,1188 15.803,1189 1.471,1190 1.514,1191 1.523,1192 1.456,1193 1.457,1194 1.888,1195 0.264,1196 4.114,1197 1.401,1198 4.049,1199 4.064,1200 4.011,1201 3.977,1202 7.433,1203 3.981,1204 3.927,1205 3.956,1206 3.861,1207 3.853,1208 6.456,1209 3.849,1210 3.864,1211 3.886,1212 3.803,1213 3.801,1214 4.966,1215 3.8,1216 3.616,1217 3.67,1218 3.522,1219 3.439,1220 4.766,1221 3.451,1222 3.487,1223 3.501,1224 3.402,1225 3.307,1226 4.723,1227 3.322,1228 3.249,1229 3.315,1230 3.068,1231 3.008,1232 4.527,1233 3.006,1234 3.219,1235 3.284,1236 3.049,1237 2.953,1238 4.494,1239 2.965,1240 3.138,1241 3.201,1242 2.979,1243 2.928,1244 4.119,1245 2.926,1246 0.125,1247 0.104,1248 0.182,1249 0.115,1250 0.087,1251 4.511,1252 0.116,1253 3.729,1254 0.047,1255 6.553,1256 0.289,1257 4.125,1258 0.085,1259 3.149,1260 4.166,1261 1.674,1262 10.396,1263 3.074,1264 1.993,1265 1.979,1266 2.082,1267 2.082,1268 1.266,1269 2.079,1270 1.917,1271 1.888,1272 2.036,1273 2.02,1274 1.171,1275 2.024,1276 1.855,1277 1.837,1278 1.949,1279 1.945,1280 1.085,1281 1.952,1282 1.569,1283 1.514,1284 1.791,1285 1.786,1286 0.993,1287 1.79,1288 1.412,1289 1.389,1290 1.608,1291 1.631,1292 0.738,1293 1.614,1294 1.191,1295 1.12,1296 1.575,1297 1.524,1298 0.617,1299 1.539,1300 1.186,1301 1.116,1302 1.498,1303 1.446,1304 0.574,1305 1.463,1306 1.121,1307 1.05,1308 1.406,1309 1.353,1310 0.553,1311 1.371,1312 4.29,1314 5.595,1316 7.106,1318 8.712,1320 10.369,1322 3.111,1327 9.469,1328 2.12,1330 16.215,1333 2.189,1340 38.444,1341 86.04,1342 205.282,1343 264.095,1344 296.149,1345 306.904,1346 310.904,1347 60.081,1348 8.006,1349 72.14,1350 72.14,1351 24,1352 12.665,1353 4.392,1354 3.585,1355 54.585,1356 162,1357 150,1358 0.164,1359 234.764,1360 419.43,1361 564.585,1362 35524,1364 23.209,1365 0.703,1366 0.569,1367 23.209,1368 18.784,1369 16.105,1370 0.447,1371 0.299,1372 10.595,1373 15.428,1374 10.286,1375 8.564,1376 16.105,1377 10.773,1378 13.852,1379 0.283,1380 0.159,1381 13.852,1382 7.809,1383 11.825,1384 0.182,1385 0.086,1386 11.825,1387 5.575,1388 9.974,1389 0.117,1390 0.046,1391 9.974,1392 3.893,1393 8.304,1394 0.075,1395 0.024,1396 8.304,1397 2.718,1398 0.264,1399 101.575,1400 0.203,1401 31.062,1402 0.434,1403 170,1404 522.737,1405 185.81,1406 492.786,1407 668.68,1408 464,1409 199,1410 477.628,1411 215.286,1412 487.417,1413 710.86,1414 454,1415 7.307}
{0 CHEMBL396977,1 1.574,2 7.222,3 3.135,4 9.825,5 63.029,6 8.866,7 0.632,8 3.443,9 3.522,10 3.122,11 3.051,12 4.792,13 3.058,14 3.897,15 3.997,16 3.477,17 3.384,18 5.327,19 3.389,20 4.193,21 4.348,22 3.552,23 3.437,24 5.743,25 3.44,26 4.148,27 4.317,28 3.422,29 3.265,30 5.638,31 3.284,32 4.055,33 4.216,34 3.359,35 3.126,36 5.808,37 3.161,38 3.864,39 4.033,40 3.142,41 3.025,42 5.601,43 3.011,44 3.664,45 3.877,46 2.833,47 2.86,48 5.014,49 2.808,50 3.467,51 3.7,52 2.558,53 2.489,54 4.903,55 2.466,56 0.125,57 0.473,58 3.711,59 2.744,60 26.931,61 2.67,62 0.211,63 0.752,64 6.382,65 4.365,66 41.396,67 4.319,68 0.533,69 0.956,70 12.214,71 5.802,72 103.001,73 5.833,74 0.506,75 0.826,76 12.879,77 5.383,78 100.519,79 5.393,80 0.739,81 0.738,82 12.613,83 4.7,84 148.192,85 4.407,86 0.59,87 0.647,88 9.978,89 4.048,90 113.711,91 4.104,92 0.272,93 0.589,94 8.325,95 3.599,96 47.465,97 4.12,98 0.303,99 0.567,100 7.56,101 2.938,102 55.547,103 3.013,104 17,105 26,106 0.305,107 0.571,108 0.709,109 0.875,110 0.916,111 0.93,112 2.96,113 0.838,114 -4.72,115 -4.64,116 -4.36,121 50,129 1,144 8,145 2,146 2,159 1,176 8,180 1,185 1,187 8,192 3,195 1,197 3,200 5,206 3,211 3,214 4,219 2,224 2,227 6,232 1,237 1,239 6,251 5,264 2,277 1,281 352,282 11.776,283 11.776,284 11.776,285 11.776,286 11.776,287 10.181,288 9.63,289 6.941,290 11.902,291 9.335,292 9.335,293 9.335,294 9.335,295 9.335,296 6.951,297 8.854,298 3.285,299 9.58,300 3.233,301 1.857,302 1.143,303 0.286,304 0.071,306 3.609,311 1,312 1,313 268,314 2.828,318 123.216,325 1.136,326 37.255,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 41,338 130,339 4.34,340 3.833,341 6.537,342 4.057,343 3.057,344 3.869,345 1.848,346 10.082,347 3.052,348 4.044,349 3.012,350 5.776,351 3.621,352 2.642,353 3.654,354 0.443,355 7.907,356 2.582,357 3.669,358 2.885,359 5.117,360 3.252,361 2.303,362 3.019,364 6.198,365 2.169,366 3.312,367 2.616,368 4.88,369 2.921,370 1.97,371 2.567,373 5.476,374 1.849,375 2.85,376 1.903,377 4.307,378 2.39,379 1.414,380 1.964,382 3.718,383 1.364,384 2.678,385 1.541,386 3.51,387 2.196,388 1.206,389 1.757,391 2.63,392 1.188,393 2.554,394 1.192,395 3.469,396 2.068,397 1.066,398 1.549,400 2.483,401 1.065,402 1.875,403 1.108,404 3.189,405 1.431,406 0.43,407 0.574,409 1.012,410 0.42,411 0.944,412 0.191,413 2.312,414 0.5,415 -0.404,416 -0.509,418 -0.896,419 -0.348,420 0.927,421 0.191,422 2,423 0.491,424 -0.408,425 -0.513,427 -0.904,428 -0.351,429 0.689,430 -0.208,431 2,432 0.225,433 -0.786,434 -1.007,436 -2.071,437 -0.755,438 0.614,439 -0.468,440 1.783,441 0.179,442 -0.795,443 -1.122,445 -2.072,446 -0.799,447 0.027,448 -0.788,449 1.53,450 -0.322,451 -1.303,452 -1.668,454 -3.349,455 -1.217,456 -0.071,457 -1.118,458 1.348,459 -0.44,460 -1.344,461 -1.813,463 -3.391,464 -1.237,465 -0.143,466 -1.133,467 1.215,468 -0.499,469 -1.414,470 -1.838,472 -3.564,473 -1.354,474 8.238,475 0.458,476 0.511,477 0.028,478 24,479 1.333,480 13.5,481 0.75,482 10.5,483 0.583,484 10.602,485 0.589,486 19.362,487 0.691,488 17.449,489 0.969,490 5.177,491 0.288,492 3.398,493 0.189,494 0.15,496 0.364,499 2,501 0.599,502 0.761,503 0.632,504 0.862,505 0.632,506 0.808,507 0.687,508 0.978,509 0.768,510 1.129,511 0.681,512 1.05,513 0.972,514 1.01,515 1.007,516 1.091,517 0.976,518 1.071,519 1.123,520 0.95,521 1.015,522 1.067,523 1.147,524 1.017,525 1.191,526 0.839,527 1.082,528 0.842,529 1.218,530 0.881,531 0.919,532 0.876,533 1.072,534 0.902,535 0.931,536 1.011,537 0.837,538 1.087,539 0.956,540 1.035,541 0.8,542 1.058,543 1.425,544 1.541,545 1.289,546 1.121,547 1.379,548 1.116,549 4,551 2.222,552 1.5,553 1.084,554 0.472,555 0.245,556 0.142,557 0.099,558 0.031,559 2543,560 10240,561 1.963,562 35.7,564 9,567 1,572 1.589,573 1.8,574 2.93,575 -0.28,577 1,579 1,582 44.084,583 1.574,584 2.95,585 3.664,586 4.522,587 4.736,588 4.807,589 2.281,590 2.948,591 4.145,592 3.018,593 461.681,594 7.042,595 4345.14,597 1,599 1,600 134.606,601 1.53,602 4.076,603 0.211,605 0.085,606 0.058,607 0.049,608 0.024,609 0.015,610 0.012,611 0.012,612 0.008,613 0.474,614 0.83,615 1,616 0.714,617 75.787,618 -0.045,619 0.049,620 -0.019,621 0.095,622 -0.084,623 0.066,624 -0.042,625 -0.137,626 -0.075,627 -0.178,628 -0.035,629 -0.16,630 -0.055,631 -0.075,632 -0.096,633 -0.135,634 -0.044,635 -0.131,636 -0.158,637 -0.146,638 -0.027,639 -0.132,640 -0.148,641 -0.056,642 -0.004,643 0.077,644 -0.037,645 0.099,646 -0.009,647 0.046,648 0.121,649 0.065,650 -0.072,651 0.055,652 0.108,653 -0.054,654 -0.039,655 -0.168,656 0.054,657 -0.056,658 -0.022,659 0.002,660 -0.197,661 -0.157,662 -0.127,663 -0.102,664 -0.205,665 -0.081,666 2.831,667 4.975,668 0.667,669 10.617,670 1.035,671 1.128,672 3.494,673 12.207,674 0.691,675 2.996,676 3.296,677 3.497,678 3.664,679 3.807,680 3.664,681 3.611,682 3.497,683 3.401,684 3.219,685 4.58,686 0.691,687 248.24,688 2.996,689 4.511,690 5.333,691 6.188,692 7.027,693 7.886,694 8.731,695 9.59,696 10.438,697 11.298,715 8,720 4,722 12,727 1,740 2,741 28,743 13,744 2,745 19,747 29,748 14,749 12,750 4,751 8,752 1,756 2,757 2,770 1,772 13,773 1,777 1,782 1,786 1,790 1,791 2,793 10,794 4,795 1,796 4,808 1,809 2,811 1,829 2,857 1,859 2,866 2,868 18,875 1,880 1,892 2,893 7.1,894 1,896 1,901 10,902 4.902,903 4,904 1.52,907 2.105,908 1.354,909 0.922,910 3.495,911 8.045,912 3.296,913 3.871,914 4.388,915 4.873,916 5.343,917 5.27,918 5.426,919 5.497,920 5.686,921 5.901,922 0.8,923 26,924 6.737,926 3.012,927 0.026,929 8.537,931 11.889,933 9.517,936 3.037,937 54.667,941 105.94,942 105.557,945 67.828,946 29.92,948 105.557,949 173.768,950 29.92,953 118.493,954 30.278,955 24.613,956 29.92,957 105.94,959 105.94,960 105.557,961 97.748,964 135.86,965 25.145,966 42.683,969 105.557,972 135.86,973 67.828,974 105.557,977 105.94,978 29.747,979 75.81,981 97.748,982 105.94,983 97.748,984 105.557,986 0.583,987 0.335,988 0.17,989 0.091,990 12,991 6,992 0.103,993 3,995 1,996 2.967,997 123.112,999 12,1000 75.059,1005 12.406,1006 5.071,1007 2.809,1009 97.748,1010 10.118,1015 -0.915,1017 42.683,1018 309.245,1019 26,1024 11.87,1028 -0.667,1031 28.982,1032 31.589,1034 0.328,1035 0.614,1036 0.762,1037 0.941,1038 0.985,1039 1,1040 4.5,1041 0.43,1042 5.323,1043 2.483,1044 3.97,1045 4.554,1046 2.019,1047 6.098,1048 3.924,1049 5.709,1050 -0.404,1051 6.872,1052 1.012,1053 3.611,1054 4.29,1055 1.22,1056 6.94,1057 3.509,1058 7.003,1059 -0.408,1060 8.521,1061 -0.896,1062 5.533,1063 6.691,1064 2.917,1065 10.022,1066 5.463,1067 8.33,1068 -0.786,1069 10.227,1070 -0.904,1071 5.943,1072 7.155,1073 2.638,1074 11.661,1075 5.839,1076 9.683,1077 -0.795,1078 11.97,1079 -2.071,1080 7.378,1081 9.07,1082 3.984,1083 14.283,1084 7.299,1085 11.056,1086 -1.303,1087 13.739,1088 -2.072,1089 8.145,1090 9.892,1091 4.007,1092 16.27,1093 8.051,1094 12.444,1095 -1.344,1096 15.527,1097 -3.349,1098 9.38,1099 11.57,1100 5.117,1101 18.716,1102 9.301,1103 3.057,1104 -1.414,1105 17.33,1106 -3.391,1107 10.319,1108 12.591,1109 5.332,1110 20.865,1111 10.237,1112 2.642,1113 10.082,1114 19.146,1115 -3.564,1116 11.472,1117 14.136,1118 6.282,1119 23.236,1120 11.399,1121 2.303,1122 7.907,1123 20.971,1124 3.869,1125 12.495,1126 15.277,1127 6.624,1128 25.465,1129 12.423,1130 1.97,1131 6.198,1132 22.805,1133 3.654,1134 13.616,1135 16.743,1136 7.467,1137 27.803,1138 13.549,1139 1.414,1140 5.476,1141 24.645,1142 3.019,1143 14.681,1144 17.957,1145 7.895,1146 30.071,1147 14.617,1148 1.206,1149 3.718,1150 26.49,1151 2.567,1152 15.791,1153 19.375,1154 8.665,1155 32.393,1156 15.73,1157 1.066,1158 2.63,1159 28.34,1160 1.964,1161 16.877,1162 20.636,1163 9.152,1164 34.682,1165 16.819,1166 2613,1167 5307,1168 12.137,1169 19.352,1170 28.75,1171 29.75,1172 29.782,1173 28.374,1174 28.176,1175 37.907,1176 4.582,1177 79.014,1178 27.38,1179 5.165,1180 5.833,1181 6.089,1182 5.057,1183 5.057,1184 6.869,1185 3.376,1186 17.258,1187 5.052,1188 9.69,1189 1.513,1190 1.566,1191 1.567,1192 1.493,1193 1.483,1194 1.995,1195 0.241,1196 4.159,1197 1.441,1198 3.984,1199 4.003,1200 3.939,1201 3.907,1202 8.203,1203 3.911,1204 3.863,1205 3.889,1206 3.812,1207 3.794,1208 8.2,1209 3.793,1210 3.407,1211 3.419,1212 3.353,1213 3.225,1214 7.428,1215 3.249,1216 2.92,1217 2.963,1218 2.868,1219 2.754,1220 6.444,1221 2.761,1222 2.896,1223 2.955,1224 2.802,1225 2.733,1226 4.624,1227 2.734,1228 2.876,1229 2.925,1230 2.747,1231 2.733,1232 4.587,1233 2.73,1234 2.585,1235 2.645,1236 2.432,1237 2.365,1238 3.656,1239 2.372,1240 2.389,1241 2.407,1242 2.243,1243 1.883,1244 3.578,1245 1.969,1246 0.228,1247 0.202,1248 0.344,1249 0.214,1250 0.161,1251 4.34,1252 0.204,1253 3.833,1254 0.097,1255 6.537,1256 0.531,1257 4.057,1258 0.161,1259 3.057,1260 3.869,1261 1.848,1262 10.082,1263 3.052,1264 1.94,1265 1.922,1266 2.032,1267 2.036,1268 1.152,1269 2.033,1270 1.852,1271 1.828,1272 1.958,1273 1.943,1274 1.033,1275 1.948,1276 1.316,1277 1.299,1278 1.462,1279 1.537,1280 0.569,1281 1.507,1282 0.874,1283 0.825,1284 1.131,1285 1.069,1286 0.192,1287 1.085,1288 0.859,1289 0.804,1290 1.102,1291 1.068,1292 0.141,1293 1.077,1294 0.844,1295 0.8,1296 1.047,1297 1.059,1298 0.104,1299 1.046,1300 0.54,1301 0.481,1302 0.88,1303 0.833,1305 0.847,1306 0.15,1307 0.12,1308 0.528,1309 0.66,1311 0.616,1312 3.664,1314 4.963,1316 6.46,1318 8.04,1320 9.66,1324 25.939,1327 9.819,1332 -1.498,1340 19.357,1341 44.084,1342 82.606,1343 102.606,1344 126.606,1345 132.606,1346 134.606,1347 50.075,1348 5.94,1349 37.3,1350 37.3,1351 12,1352 11.851,1353 3.807,1354 3,1355 30.91,1356 49,1357 40,1358 0.319,1359 120.174,1360 215.48,1361 284.983,1362 2279,1363 7.1,1364 13.121,1365 0.729,1366 0.517,1367 11.38,1368 9.308,1369 8.575,1370 0.451,1371 0.279,1372 5.228,1373 8.212,1374 5.154,1375 4.244,1376 7.788,1377 5.31,1378 7.782,1379 0.299,1380 0.147,1381 6.514,1382 3.832,1383 6.27,1384 0.196,1385 0.079,1386 5.616,1387 2.522,1388 4.776,1389 0.126,1390 0.043,1391 4.179,1392 1.628,1393 3.622,1394 0.082,1395 0.023,1396 3.131,1397 1.016,1398 0.483,1399 54.339,1400 0.287,1401 17.927,1402 0.922,1403 90,1404 416.107,1405 101.869,1406 348.165,1407 439.9,1408 320,1409 103,1410 291.576,1411 113.582,1412 284.127,1413 412.54,1414 267,1415 4}
{0 CHEMBL397160,1 1.845,2 11.542,3 3.765,4 14.173,5 88.742,6 9.716,7 0.462,8 3.78,9 3.853,10 3.562,11 3.3,12 4.964,13 3.32,14 4.308,15 4.428,16 3.947,17 3.648,18 5.558,19 3.652,20 4.513,21 4.664,22 4.017,23 3.716,24 5.71,25 3.701,26 4.412,27 4.569,28 3.913,29 3.571,30 5.657,31 3.549,32 4.263,33 4.418,34 3.722,35 3.473,36 5.624,37 3.459,38 4.114,39 4.251,40 3.578,41 3.553,42 5.255,43 3.473,44 4.244,45 4.443,46 3.502,47 3.511,48 5.312,49 3.38,50 4.132,51 4.366,52 3.369,53 3.189,54 5.144,55 3.095,56 0.172,57 0.509,58 4.235,59 3.316,60 9.742,61 3.403,62 0.603,63 0.791,64 11.573,65 5.441,66 30.583,67 5.594,68 0.819,69 0.872,70 22.781,71 7.288,72 50.354,73 7.505,74 0.771,75 0.769,76 21.713,77 6.805,78 63.28,79 6.603,80 0.865,81 0.694,82 17.08,83 5.487,84 67.539,85 5.594,86 0.324,87 0.667,88 10.812,89 5.202,90 23.644,91 5.793,92 0.488,93 0.692,94 16.696,95 6.614,96 31.411,97 8.477,98 0.509,99 0.561,100 20.065,101 5.911,102 35.159,103 7.391,104 10,105 35,106 0.332,107 0.646,108 0.738,109 0.774,110 0.793,111 0.812,112 3.227,113 0.924,114 -3.75,115 -3.71,116 -3.53,121 42.1,127 4,144 5,146 4,147 1,149 1,161 1,176 2,179 4,180 4,187 4,191 1,192 9,200 2,206 6,214 1,218 3,219 7,227 4,239 4,243 3,244 2,251 2,256 4,264 2,268 2,281 734,282 16.154,283 16.154,284 16.154,285 16.154,286 16.154,287 14.471,288 19.756,289 9.682,290 16.962,291 12.838,292 12.838,293 12.838,294 12.838,295 12.838,296 10.337,297 21.652,298 4.645,299 14.25,300 3.403,301 1.661,302 1.148,303 0.947,304 0.842,305 0.737,306 3.91,308 2,310 1,311 1,312 1,313 592,314 2.828,318 262.124,325 1.951,326 30.348,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 53.667,338 277,339 4.259,340 3.788,341 6.095,342 3.799,343 2.899,344 3.902,345 2.208,346 8.879,347 2.626,348 4.08,349 3.335,350 6.05,351 3.742,352 2.828,353 3.632,354 0.86,355 8.69,356 2.528,357 3.879,358 2.9,359 5.459,360 3.502,361 2.557,362 3.117,363 0.86,364 7.254,365 2.382,366 3.514,367 2.732,368 5.143,369 3.107,370 2.213,371 2.813,372 0.655,373 6.4,374 1.964,375 3.333,376 2.584,377 4.908,378 2.873,379 2,380 2.597,381 0.13,382 5.62,383 1.66,384 2.897,385 2.455,386 4.196,387 2.621,388 1.703,389 1.956,391 3.933,392 1.54,393 2.819,394 1.932,395 4.117,396 2.282,397 1.416,398 1.885,400 3.638,401 1.17,402 2.5,403 1.855,404 3.45,405 2,406 1.041,407 1.5,409 2.486,410 1,411 2.185,412 1.256,413 3.414,414 1.952,415 1,416 1.13,418 2.275,419 0.946,420 2,421 1,422 3.247,423 1.933,424 1,425 1,427 2.136,428 0.912,429 1.692,430 0.962,431 3.054,432 1.276,433 0.432,434 0.521,436 1.04,437 0.339,438 1.299,439 0.721,440 2.629,441 0.848,442 -0.032,443 -0.04,445 -0.077,446 -0.026,447 0.806,448 0.256,449 2.359,450 0.326,451 -0.513,452 -0.62,454 -1.242,455 -0.293,456 0.761,457 0.157,458 2.209,459 0.254,460 -0.557,461 -0.646,463 -1.463,464 -0.451,465 0.5,466 -0.272,467 2,468 0.227,469 -0.757,470 -0.867,472 -1.643,473 -0.72,474 11.562,475 0.482,476 0.558,477 0.023,478 31,479 1.292,480 14.5,481 0.604,482 16.5,483 0.688,484 17.649,485 0.735,486 26.238,487 0.69,488 21.76,489 0.907,490 6.334,491 0.264,492 5.281,493 0.22,494 0.152,496 0.294,501 0.795,502 1.483,503 0.508,504 1.034,505 0.6,506 0.887,507 0.941,508 1.034,509 0.661,510 0.789,511 0.612,512 0.824,513 1.159,514 0.986,515 0.964,516 1.019,517 0.885,518 0.965,519 1.425,520 1.008,521 0.711,522 0.794,523 1.608,524 0.869,525 1.064,526 0.688,527 0.769,528 0.588,529 1.727,530 0.704,531 0.759,532 1.163,533 1.001,534 1.15,535 0.998,536 1.251,537 0.401,538 1.066,539 0.836,540 1.15,541 0.407,542 1.237,543 0.756,544 0.999,545 0.791,546 1.021,547 0.546,548 0.94,549 5,550 0.099,551 2.444,552 1.25,553 1.347,554 0.507,555 0.343,556 0.313,557 0.131,558 0.151,559 7084,560 26653,561 2.064,562 36.8,564 13,566 1,572 1.662,573 1.946,574 3.481,575 -0.658,577 1,582 70.118,583 1.845,584 3.587,585 4.1,586 4.301,587 4.406,588 4.511,589 2.903,590 3.491,591 4.557,592 3.649,593 1007.14,594 7.825,595 12356.2,596 1,597 1,598 1,599 1,600 199.421,601 1.347,602 4.522,603 0.192,604 0.007,605 0.07,606 0.037,607 0.048,608 0.019,609 0.014,610 0.016,611 0.008,612 0.011,613 0.421,614 0.33,615 1,616 0.566,617 116.64,618 -0.075,619 -0.338,620 0.018,621 -0.164,622 -0.044,623 -0.064,624 0.02,625 0.068,626 0.021,627 0.089,628 0.097,629 0.026,630 -0.094,631 -0.003,632 -0.033,633 -0.069,634 -0.024,635 -0.027,636 -0.252,637 -0.082,638 0.131,639 0.153,640 -0.197,641 0.081,642 0.07,643 0.305,644 0.032,645 0.335,646 -0.088,647 0.221,648 -0.12,649 -0.1,650 -0.22,651 -0.204,652 -0.195,653 -0.302,654 0.262,655 -0.136,656 0.032,657 -0.155,658 0.169,659 -0.151,660 0.121,661 -0.151,662 0.233,663 -0.001,664 0.159,665 0.198,666 2.061,667 4.997,668 0.75,669 22.799,670 1.035,671 1.122,672 2.521,673 6.355,674 0.707,675 3.296,676 3.584,677 3.784,678 3.97,679 4.174,680 4.06,681 4.127,682 4.22,683 4.263,684 4.317,685 6.734,686 0.691,687 369.22,688 3.296,689 4.812,690 5.631,691 6.479,692 7.311,693 8.159,694 8.997,695 9.843,696 10.684,697 11.531,698 5.3,705 1,708 1,715 6,716 1,720 5,722 12,737 1,739 1,740 2,741 38,743 13,744 1,745 26,747 40,748 16,749 11,750 2,751 4,756 3,757 3,758 2,772 12,773 4,777 1,782 1,786 1,790 1,793 14,794 6,796 8,797 2,802 2,808 1,809 4,822 1,829 3,858 1,859 3,865 2,868 24,876 4,878 3,881 1,892 2,893 10.5,896 1,897 1,898 2,901 12.333,902 6.852,903 5.306,904 2.181,907 2.256,908 1.328,909 0.955,910 5.786,911 9.131,912 3.526,913 4.06,914 4.516,915 4.989,916 5.495,917 5.503,918 5.769,919 6.159,920 6.427,921 6.725,922 0.875,923 34,924 8.827,926 3.701,927 0.026,929 7.947,931 16.409,933 12.911,936 2.447,937 58.722,941 164.795,942 98.89,943 19.91,944 78.297,945 58.145,948 98.89,949 301.237,950 19.91,952 16.52,953 47.381,954 64.701,955 48.535,956 11.577,957 153.024,958 78.297,959 164.795,960 118.8,961 58.145,962 78.297,964 164.795,965 47.145,966 11,968 25.568,969 76.446,970 95.083,972 164.795,973 78.054,974 177.187,977 164.795,978 42.461,979 59.553,981 153.227,982 164.795,983 78.054,984 177.187,986 0.577,987 0.327,988 0.168,989 0.093,990 16,991 7,992 0.1,993 4,995 1,996 3.735,997 182.93,999 18,1000 102.039,1005 17.296,1006 8.029,1007 4.743,1009 78.054,1010 9.587,1011 4.015,1015 1.925,1018 420.037,1019 33,1024 11.997,1028 -0.394,1031 39.345,1032 42.629,1034 0.352,1035 0.683,1036 0.781,1037 0.819,1038 0.84,1039 0.86,1040 4.745,1041 1.041,1042 5.595,1043 3.638,1044 4.263,1045 4.745,1046 2.575,1047 6.33,1048 4.058,1049 5.918,1050 1,1051 7.109,1052 2.486,1053 3.761,1054 4.46,1055 1.847,1056 7.05,1057 3.377,1058 7.196,1059 1,1060 8.718,1061 2.275,1062 5.79,1063 6.825,1064 3.59,1065 10.09,1066 5.399,1067 8.504,1068 0.432,1069 10.38,1070 2.136,1071 6.066,1072 7.295,1073 3.656,1074 11.595,1075 5.493,1076 9.841,1077 -0.032,1078 12.076,1079 1.04,1080 7.566,1081 9.17,1082 4.967,1083 14.129,1084 6.987,1085 11.195,1086 -0.513,1087 13.795,1088 -0.077,1089 8.215,1090 9.999,1091 5.37,1092 15.975,1093 7.463,1094 12.564,1095 -0.557,1096 15.53,1097 -1.242,1098 9.476,1099 11.65,1100 6.46,1101 18.308,1102 8.701,1103 2.899,1104 -0.757,1105 17.278,1106 -1.463,1107 10.318,1108 12.679,1109 7.028,1110 20.318,1111 9.382,1112 2.828,1113 8.879,1114 19.035,1115 -1.643,1116 11.465,1117 14.208,1118 7.994,1119 22.562,1120 10.486,1121 2.557,1122 8.69,1123 20.799,1124 3.902,1125 12.406,1126 15.356,1127 8.654,1128 24.652,1129 11.28,1130 2.213,1131 7.254,1132 22.569,1133 3.632,1134 13.499,1135 16.814,1136 9.549,1137 26.857,1138 12.312,1139 2,1140 6.4,1141 24.344,1142 3.117,1143 14.492,1144 18.037,1145 10.263,1146 28.988,1147 13.17,1148 1.703,1149 5.62,1150 26.123,1151 2.813,1152 15.559,1153 19.451,1154 11.116,1155 31.175,1156 14.163,1157 1.416,1158 3.933,1159 27.905,1160 2.597,1161 16.579,1162 20.721,1163 11.862,1164 33.327,1165 15.058,1166 6833,1167 13429,1168 17.394,1169 26.875,1170 38.451,1171 40.069,1172 39.035,1173 38.459,1174 38.175,1175 48.105,1176 9.426,1177 104.705,1178 34.137,1179 5.259,1180 5.788,1181 5.897,1182 4.902,1183 4.899,1184 6.902,1185 3.912,1186 15.199,1187 4.626,1188 10.893,1189 1.479,1190 1.541,1191 1.501,1192 1.479,1193 1.468,1194 1.85,1195 0.363,1196 4.027,1197 1.313,1198 3.95,1199 3.966,1200 4.084,1201 3.844,1202 7.433,1203 3.852,1204 3.824,1205 3.853,1206 3.849,1207 3.733,1208 5.131,1209 3.732,1210 3.767,1211 3.808,1212 3.677,1213 3.549,1214 4.848,1215 3.571,1216 3.261,1217 3.247,1218 3.583,1219 2.946,1220 4.643,1221 3.007,1222 3.111,1223 3.206,1224 3.219,1225 2.941,1226 4.611,1227 2.91,1228 2.982,1229 2.979,1230 3.044,1231 2.834,1232 4.449,1233 2.839,1234 2.854,1235 2.925,1236 2.866,1237 2.735,1238 4.187,1239 2.715,1240 2.809,1241 2.853,1242 2.741,1243 2.635,1244 3.83,1245 2.652,1246 0.164,1247 0.146,1248 0.234,1249 0.146,1250 0.112,1251 4.259,1252 0.15,1253 3.788,1254 0.085,1255 6.095,1256 0.342,1257 3.799,1258 0.101,1259 2.899,1260 3.902,1261 2.208,1262 8.879,1263 2.626,1264 1.878,1265 1.863,1266 1.973,1267 2.01,1268 1.19,1269 1.995,1270 1.765,1271 1.745,1272 1.909,1273 1.949,1274 1.041,1275 1.938,1276 1.695,1277 1.64,1278 1.797,1279 1.862,1280 0.889,1281 1.862,1282 1.153,1283 1.064,1284 1.513,1285 1.41,1286 0.825,1287 1.429,1288 1.049,1289 1.057,1290 1.181,1291 1.376,1292 0.266,1293 1.327,1294 0.886,1295 0.853,1296 1.178,1297 1.083,1298 0.218,1299 1.107,1300 0.856,1301 0.821,1302 1.005,1303 1.062,1304 0.09,1305 1.055,1306 0.739,1307 0.696,1308 0.961,1309 0.939,1310 0.018,1311 0.964,1312 3.97,1314 5.263,1316 6.746,1318 8.31,1320 9.911,1323 11.799,1328 2.106,1330 16.085,1333 1.602,1340 26.245,1341 70.118,1342 136.302,1343 155.812,1344 163.421,1345 167.421,1346 171.421,1347 39.994,1348 6.875,1349 60.89,1350 60.89,1351 18,1352 12.092,1353 3.807,1354 3,1355 39.602,1356 101,1357 82,1358 0.197,1359 167.815,1360 295.58,1361 401.229,1362 8786,1363 5.3,1364 16.941,1365 0.706,1366 0.587,1367 17.941,1368 14.088,1369 11.614,1370 0.447,1371 0.308,1372 7.158,1373 10.408,1374 7.004,1375 5.713,1376 12.192,1377 8.007,1378 10.389,1379 0.297,1380 0.166,1381 11.168,1382 5.825,1383 8.371,1384 0.195,1385 0.088,1386 8.987,1387 3.764,1388 6.631,1389 0.128,1390 0.048,1391 7.311,1392 2.494,1393 5.335,1394 0.083,1395 0.024,1396 5.742,1397 1.515,1398 0.318,1399 80.275,1400 0.24,1401 23.981,1402 0.518,1403 122,1404 468.639,1405 171.124,1406 491.703,1407 638.79,1408 458,1409 139,1410 413.825,1411 179.497,1412 427.774,1413 626.83,1414 401,1415 4.301}
{0 CHEMBL397168,1 1.806,2 12.714,3 4.133,4 17.083,5 93.943,6 8.434,7 0.4,8 3.977,9 4.069,10 3.624,11 3.418,12 5.177,13 3.458,14 4.556,15 4.701,16 4.084,17 3.758,18 6.206,19 3.803,20 4.757,21 4.925,22 4.02,23 3.86,24 5.983,25 3.879,26 4.803,27 5.014,28 3.928,29 3.783,30 6.138,31 3.793,32 4.615,33 4.802,34 3.799,35 3.718,36 5.937,37 3.697,38 4.597,39 4.817,40 3.619,41 3.666,42 5.827,43 3.601,44 4.362,45 4.564,46 3.551,47 3.617,48 5.469,49 3.538,50 4.398,51 4.606,52 3.568,53 3.5,54 5.616,55 3.467,56 0.254,57 0.846,58 7.617,59 4.538,60 29.985,61 4.838,62 1.205,63 1.604,64 18.636,65 7.092,66 154.846,67 8.024,68 1.04,69 1.396,70 24.375,71 8.58,72 74.669,73 9.829,74 1.386,75 1.438,76 29.377,77 8.351,78 149.192,79 9.81,80 1.028,81 1.153,82 21.881,83 7.706,84 98.933,85 9.344,86 1.209,87 0.939,88 24.459,89 7.497,90 118.635,91 9.864,92 0.545,93 0.974,94 15.997,95 7.187,96 47.305,97 9.29,98 0.58,99 1.046,100 17.587,101 6.893,102 44.825,103 8.533,104 38,105 43,106 0.311,107 0.616,108 0.73,109 0.765,110 0.78,111 0.794,112 3.374,113 0.864,114 -4.32,115 -4.26,116 -4.02,121 40.4,122 2,127 2,129 2,134 1,144 6,145 1,146 2,147 1,149 1,161 1,176 4,179 4,180 9,187 3,191 1,192 8,200 2,206 7,214 3,218 3,219 10,227 4,239 4,243 3,244 3,251 6,256 3,264 4,268 2,269 3,281 1168,282 18.021,283 18.021,284 18.021,285 18.021,286 18.021,287 16.482,288 24.401,289 10.425,290 18.819,291 14.818,292 14.818,293 14.818,294 14.818,295 14.818,296 12.468,297 29.195,298 5.005,299 16.211,300 3.748,301 1.977,302 1.314,303 1.112,304 1.027,305 0.942,306 4.05,311 1,312 1,313 748,314 3.808,318 319.681,325 2.255,326 50.704,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 65.5,338 356,339 4.44,340 4.46,341 7.111,342 4.168,343 3.314,344 3.846,345 3.825,346 11.657,347 2.856,348 4.123,349 3.796,350 6.118,351 3.844,352 2.92,353 3.655,354 2.208,355 8.987,356 2.684,357 3.977,358 3.08,359 5.618,360 3.637,361 2.708,362 3.211,363 0.86,364 7.792,365 2.518,366 3.78,367 3.035,368 5.385,369 3.397,370 2.488,371 3.088,372 0.86,373 7.111,374 2.235,375 3.495,376 2.672,377 5.177,378 3.203,379 2.271,380 2.681,381 0.655,382 6.371,383 2.09,384 3.302,385 2.324,386 4.964,387 2.928,388 2,389 2.421,390 0.13,391 5.849,392 1.842,393 2.901,394 2.093,395 4.618,396 2.839,397 1.879,398 2.012,400 4.963,401 1.794,402 2.879,403 2.048,404 4.556,405 2.47,406 1.563,407 1.879,409 4.606,410 1.377,411 2.5,412 1.908,413 3.975,414 2.084,415 1.143,416 1.5,418 3.122,419 1.054,420 2.5,421 1,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.378,430 1,431 3.414,432 1.959,433 1,434 1.301,436 2.275,437 0.956,438 1.547,439 0.909,440 3.052,441 1.169,442 0.26,443 0.316,445 0.659,446 0.232,447 1.128,448 0.51,449 2.779,450 0.719,451 -0.205,452 -0.251,454 -0.52,455 -0.186,456 0.704,457 0.51,458 2.586,459 0.602,460 -0.347,461 -0.347,463 -0.891,464 -0.327,465 0.653,466 0.45,467 2.382,468 0.437,469 -0.474,470 -0.487,472 -1.183,473 -0.428,474 12.49,475 0.446,476 0.969,477 0.035,478 33.25,479 1.188,480 14.5,481 0.518,482 18.75,483 0.67,484 23.134,485 0.826,486 32.51,487 0.692,488 27.658,489 0.988,490 6.788,491 0.242,492 6.415,493 0.229,494 0.175,495 0.04,496 0.312,498 3,501 0.674,502 1.129,503 0.631,504 1.285,505 0.602,506 1.041,507 0.596,508 0.758,509 0.689,510 0.994,511 0.373,512 0.916,513 1.006,514 0.913,515 0.966,516 1.058,517 0.604,518 1.023,519 1.169,520 0.778,521 1.087,522 0.815,523 1.085,524 0.879,525 0.779,526 0.834,527 0.974,528 1.059,529 0.879,530 1.098,531 0.649,532 0.441,533 0.902,534 0.69,535 0.699,536 0.865,537 0.308,538 0.774,539 0.729,540 1.179,541 0.315,542 1.187,543 0.705,544 1.083,545 0.8,546 1.282,547 0.561,548 1.161,549 8.5,550 0.136,551 3.111,552 1.938,553 1.738,554 0.694,555 0.527,556 0.503,557 0.254,558 0.241,559 10760,560 40119,561 1.984,562 40.4,564 12,566 1,569 6,572 1.702,573 1.816,574 3.597,575 -0.671,577 1,582 84.89,583 1.806,584 3.577,585 4.24,586 4.443,587 4.528,588 4.613,589 3.074,590 3.584,591 4.779,592 3.858,593 1458.14,594 8.264,595 20561.6,597 1,599 1,600 261.066,601 1.678,602 4.706,603 0.283,604 0.008,605 0.072,606 0.047,607 0.048,608 0.022,609 0.02,610 0.019,611 0.01,612 0.011,613 0.541,614 0.17,615 1,616 0.82,617 144.5,618 -0.049,619 -0.169,620 0.045,621 -0.167,622 -0.086,623 -0.057,624 0.319,625 0.242,626 0.178,627 0.009,628 0.423,629 0.018,630 -0.157,631 -0.163,632 -0.063,633 -0.098,634 -0.012,635 -0.06,636 -0.167,637 0.101,638 -0.076,639 0.102,640 -0.091,641 0.071,642 0.023,643 -0.062,644 -0.06,645 -0.088,646 -0.049,647 -0.103,648 0.098,649 0.161,650 0.064,651 0.246,652 0.004,653 0.166,654 0.211,655 -0.049,656 0.109,657 -0.124,658 0.116,659 -0.086,660 0.017,661 -0.279,662 0.124,663 -0.265,664 0.07,665 -0.097,666 5.701,667 5.262,668 0.643,669 30.143,670 1.04,671 1.149,672 3.093,673 9.565,674 0.644,675 3.434,676 3.784,677 3.932,678 4.127,679 4.317,680 4.304,681 4.369,682 4.394,683 4.443,684 4.533,685 7.798,686 0.645,687 396.4,688 3.434,689 4.99,690 5.808,691 6.683,692 7.516,693 8.387,694 9.225,695 10.093,696 10.935,697 11.801,698 4.3,705 1,708 1,715 7,716 1,720 4,722 12,737 1,739 1,741 47,743 13,744 1,745 30,747 49,748 19,749 11,750 2,751 4,756 3,757 3,763 3,767 2,769 1,770 2,772 12,773 7,777 1,782 1,786 1,790 1,791 3,793 19,794 9,796 9,802 2,808 1,809 4,822 1,829 3,858 1,859 3,864 2,866 3,868 28,876 2,878 3,880 2,881 1,882 1,892 3,893 8.5,896 1,897 1,898 2,901 15.417,902 8.995,903 5.944,904 2.772,907 2.227,908 1.308,909 0.94,910 6.113,911 9.47,912 3.638,913 4.174,914 4.59,915 5.055,916 5.557,917 5.628,918 5.941,919 6.238,920 6.512,921 6.854,922 1,923 41,924 10.804,926 5.036,927 0.026,929 8.348,931 18.823,933 15.047,936 2.848,937 79.75,940 1,941 223.651,942 120.776,943 19.91,945 58.145,946 44.88,948 120.776,949 281.796,950 64.79,951 17.65,952 7.336,953 56.857,954 64.701,955 89.6,956 11.577,957 211.88,958 7.76,959 223.651,960 140.686,961 103.025,964 153.024,965 162.652,966 11,968 41.793,969 82.107,970 16.786,972 268.531,973 78.054,974 120.776,977 231.41,978 29.461,979 86.68,981 119.81,982 223.651,983 122.935,984 120.776,986 0.597,987 0.321,988 0.159,989 0.087,990 20,991 10,992 0.082,993 4,995 1,996 3.992,997 227.043,999 18,1000 119.851,1005 20.436,1006 8.376,1007 5.604,1009 122.935,1010 8.865,1011 3.64,1015 -0.159,1018 467.361,1019 37,1024 12.262,1028 -0.472,1031 48.887,1032 54.005,1034 0.325,1035 0.644,1036 0.763,1037 0.8,1038 0.815,1039 0.83,1040 4.905,1041 1.563,1042 5.844,1043 4.963,1044 4.466,1045 4.86,1046 3.496,1047 6.65,1048 4.291,1049 6.11,1050 1.143,1051 7.414,1052 4.606,1053 4.29,1054 4.691,1055 4.006,1056 7.743,1057 3.931,1058 7.415,1059 1,1060 9.089,1061 3.122,1062 6.12,1063 6.915,1064 5.565,1065 10.692,1066 5.739,1067 8.745,1068 1,1069 10.828,1070 2.275,1071 6.673,1072 7.429,1073 6.735,1074 12.588,1075 6.081,1076 10.103,1077 0.26,1078 12.61,1079 2.275,1080 8.071,1081 9.236,1082 8.102,1083 15.157,1084 7.443,1085 11.479,1086 -0.205,1087 14.425,1088 0.659,1089 8.951,1090 10.071,1091 9.406,1092 17.387,1093 8.115,1094 12.871,1095 -0.347,1096 16.266,1097 -0.52,1098 10.191,1099 11.687,1100 10.748,1101 19.855,1102 9.287,1103 3.314,1104 -0.474,1105 18.128,1106 -0.891,1107 11.225,1108 12.703,1109 12.081,1110 22.22,1111 10.127,1112 2.92,1113 11.657,1114 20.007,1115 -1.183,1116 12.41,1117 14.211,1118 13.421,1119 24.666,1120 11.213,1121 2.708,1122 8.987,1123 21.901,1124 3.846,1125 13.517,1126 15.339,1127 14.76,1128 27.083,1129 12.14,1130 2.488,1131 7.792,1132 23.807,1133 3.655,1134 14.688,1135 16.781,1136 16.101,1137 29.528,1138 13.189,1139 2.271,1140 7.111,1141 25.723,1142 3.211,1143 15.831,1144 17.98,1145 17.442,1146 31.966,1147 14.162,1148 2,1149 6.371,1150 27.647,1151 3.088,1152 17.002,1153 19.382,1154 18.783,1155 34.415,1156 15.195,1157 1.879,1158 5.849,1159 29.578,1160 2.681,1161 18.164,1162 20.628,1163 20.125,1164 36.862,1165 16.193,1166 10526,1167 20644,1168 19.186,1169 30.256,1170 46.041,1171 45.653,1172 46.003,1173 45.311,1174 45.09,1175 54.822,1176 17.076,1177 131.333,1178 41.275,1179 5.44,1180 6.46,1181 6.525,1182 5.275,1183 5.314,1184 6.846,1185 5.529,1186 18.535,1187 4.856,1188 17.477,1189 1.535,1190 1.522,1191 1.533,1192 1.51,1193 1.503,1194 1.827,1195 0.569,1196 4.378,1197 1.376,1198 3.965,1199 3.988,1200 3.924,1201 3.844,1202 8.513,1203 3.857,1204 3.862,1205 3.899,1206 3.813,1207 3.736,1208 7.999,1209 3.746,1210 3.812,1211 3.846,1212 3.726,1213 3.635,1214 7.999,1215 3.65,1216 3.367,1217 3.452,1218 3.353,1219 3.217,1220 7.433,1221 3.19,1222 3.358,1223 3.375,1224 3.259,1225 3.044,1226 5.004,1227 3.106,1228 3.288,1229 3.328,1230 3.151,1231 2.971,1232 4.769,1233 3.03,1234 2.941,1235 2.99,1236 2.837,1237 2.735,1238 4.647,1239 2.721,1240 2.854,1241 2.925,1242 2.687,1243 2.704,1244 4.322,1245 2.715,1246 0.148,1247 0.149,1248 0.237,1249 0.139,1250 0.11,1251 4.44,1252 0.128,1253 4.46,1254 0.128,1255 7.111,1256 0.389,1257 4.168,1258 0.095,1259 3.314,1260 3.846,1261 3.825,1262 11.657,1263 2.856,1264 1.885,1265 1.867,1266 1.988,1267 2.03,1268 1.253,1269 2.013,1270 1.803,1271 1.774,1272 1.964,1273 1.994,1274 1.044,1275 1.981,1276 1.762,1277 1.714,1278 1.891,1279 1.914,1280 0.97,1281 1.909,1282 1.405,1283 1.325,1284 1.733,1285 1.606,1286 0.959,1287 1.655,1288 1.192,1289 1.158,1290 1.472,1291 1.518,1292 0.596,1293 1.485,1294 1.066,1295 1.038,1296 1.209,1297 1.418,1298 0.398,1299 1.312,1300 0.886,1301 0.821,1302 1.181,1303 1.166,1304 0.22,1305 1.134,1306 0.853,1307 0.808,1308 1.162,1309 1.062,1310 0.218,1311 1.107,1312 4.111,1314 5.451,1316 6.963,1318 8.549,1320 10.17,1322 3.773,1324 37.619,1328 0.897,1330 16.329,1332 -0.133,1333 1.579,1334 -4.451,1340 30.32,1341 84.89,1342 168.13,1343 199.291,1344 208.801,1345 212.801,1346 216.801,1347 68.01,1348 7.243,1349 60.89,1350 60.89,1351 18,1352 12.352,1353 3.807,1354 3,1355 50.196,1356 136,1357 102,1358 0.184,1359 183.521,1360 335.27,1361 439.551,1362 14148,1363 6.4,1364 20.311,1365 0.725,1366 0.545,1367 17.811,1368 15.272,1369 13.203,1370 0.44,1371 0.288,1372 8.416,1373 12.298,1374 8.26,1375 6.791,1376 11.991,1377 8.639,1378 13.097,1379 0.305,1380 0.151,1381 11.139,1382 6.487,1383 9.429,1384 0.189,1385 0.08,1386 8.493,1387 3.993,1388 7.631,1389 0.125,1390 0.046,1391 6.931,1392 2.797,1393 5.93,1394 0.08,1395 0.023,1396 5.665,1397 1.667,1398 0.3,1399 85.521,1400 0.228,1401 27.437,1402 0.473,1403 146,1404 696.566,1405 182.431,1406 569.486,1407 737.22,1408 528,1409 166,1410 516.918,1411 194.705,1412 491.579,1413 737.5,1414 460,1415 4.301}
{0 CHEMBL397271,1 1.449,2 18.091,3 4.611,4 21.264,5 175.325,6 6.826,7 0.449,8 4.545,9 4.684,10 4.035,11 4.087,12 5.542,13 4.047,14 5.122,15 5.313,16 4.388,17 4.513,18 6.069,19 4.437,20 5.452,21 5.702,22 4.503,23 4.665,24 6.387,25 4.568,26 5.453,27 5.693,28 4.443,29 4.647,30 6.394,31 4.548,32 5.456,33 5.693,34 4.401,35 4.669,36 6.402,37 4.547,38 5.528,39 5.789,40 4.3,41 4.669,42 6.429,43 4.505,44 5.538,45 5.843,46 4.154,47 4.555,48 6.308,49 4.372,50 5.369,51 5.673,52 4.114,53 4.36,54 6.256,55 4.223,56 0.092,57 1.32,58 19.823,59 7.926,60 12.381,61 11.316,62 0.294,63 2.162,64 36.759,65 13.894,66 32.77,67 20.348,68 0.597,69 2.738,70 53.834,71 18.01,72 75.783,73 27.013,74 0.654,75 2.735,76 54.168,77 17.02,78 79.786,79 25.623,80 0.683,81 2.721,82 53.838,83 18.344,84 87.255,85 27.221,86 0.711,87 2.79,88 58.232,89 20.644,90 101.396,91 30.692,92 0.569,93 2.656,94 60.212,95 20.04,96 68.912,97 30.644,98 0.567,99 2.192,100 51.603,101 15.893,102 71.533,103 24.296,104 10,105 67,106 0.216,107 0.515,108 0.661,109 0.754,110 0.795,111 0.806,112 3.809,113 0.99,114 -3.24,115 -3.23,116 -3.1,121 40.2,123 10,127 4,129 1,144 8,145 4,146 2,148 4,160 2,165 1,166 1,167 1,176 17,180 9,183 2,185 6,187 18,189 1,192 10,194 1,195 1,196 3,197 7,199 1,200 12,203 1,206 5,209 2,211 9,214 12,221 1,222 3,223 1,224 9,226 1,227 16,231 1,235 2,236 2,237 6,238 1,239 12,244 4,247 2,249 9,251 6,256 4,260 1,261 6,263 1,264 6,266 2,268 2,269 9,272 2,273 2,274 2,277 10,279 2,281 4380,282 30.449,283 30.449,284 30.449,285 30.449,286 30.449,287 27.589,288 33.342,289 18.392,290 30.767,291 24.24,292 24.24,293 24.24,294 24.24,295 24.24,296 19.61,297 35.621,298 8.744,299 24.732,300 4.994,301 2.984,302 2.005,303 1.379,304 1.103,305 1.034,306 4.527,313 1781,314 4.899,318 713.582,322 816.986,325 2.893,326 41.022,329 0.5,330 0.17,331 0.5,332 0.8,333 0.5,334 0.5,335 0.5,336 0.5,337 93.5,338 796,339 4.64,340 3.71,341 6.829,342 4.207,343 3.226,344 4.564,345 1.953,346 11.348,347 3.162,348 4.64,349 3.569,350 6.829,351 4.207,352 3.226,353 4.564,354 1.907,355 11.348,356 3.162,357 3.914,358 3.361,359 5.982,360 3.717,361 2.721,362 3.437,363 0.4,364 8.37,365 2.701,366 3.914,367 3.361,368 5.982,369 3.524,370 2.532,371 3.437,372 0.4,373 8.37,374 2.512,375 3.907,376 2.669,377 5.875,378 3.524,379 2.532,380 3.073,381 0.263,382 7.945,383 2.512,384 3.64,385 2.669,386 5.382,387 3.353,388 2.348,389 2.894,390 0.149,391 6.712,392 2.348,393 3.521,394 2.357,395 5.381,396 3.131,397 2.178,398 2.892,400 6.711,401 2.073,402 3.519,403 2.356,404 5.03,405 3.126,406 2.17,407 2.809,409 6.067,410 2.07,411 2.939,412 2.08,413 4.116,414 2.624,415 1.669,416 2.142,418 3.816,419 1.589,420 2.939,421 1.826,422 4.116,423 2.529,424 1.551,425 2.142,427 3.459,428 1.516,429 2.732,430 1.819,431 4.095,432 2.509,433 1.52,434 1.744,436 3.338,437 1.501,438 2.65,439 1.561,440 3.948,441 2.436,442 1.46,443 1.684,445 3.329,446 1.418,447 2.598,448 1.561,449 3.915,450 2.345,451 1.347,452 1.613,454 3.329,455 1.343,456 2.512,457 1.442,458 3.637,459 2.345,460 1.347,461 1.51,463 3.065,464 1.343,465 2.491,466 1.441,467 3.605,468 2.242,469 1.247,470 1.488,472 2.902,473 1.24,474 20.967,475 0.477,476 0.849,477 0.019,478 52.25,479 1.188,480 24,481 0.545,482 28.25,483 0.642,484 47.238,485 1.074,486 48.033,487 0.552,488 42.052,489 0.956,490 9.561,491 0.217,492 12.02,493 0.273,494 0.051,496 0.31,501 0.84,502 1.264,503 0.891,504 1.06,505 0.641,506 0.985,507 0.709,508 1.265,509 0.954,510 1.14,511 0.576,512 1.081,513 1.008,514 0.997,515 0.913,516 0.912,517 0.932,518 0.9,519 1.465,520 1.032,521 1.148,522 0.967,523 1.401,524 1.009,525 1.127,526 1.069,527 1.169,528 1.095,529 1.079,530 1.13,531 0.783,532 1.094,533 1.114,534 1.173,535 0.761,536 1.182,537 0.816,538 0.955,539 0.939,540 0.984,541 0.747,542 0.974,543 1.213,544 0.809,545 0.843,546 0.786,547 1.239,548 0.769,549 6,550 0.235,551 4.889,552 2.875,553 2.64,554 0.986,555 0.601,556 0.448,557 0.51,558 0.339,559 44637,560 94879,561 2.15,562 49.4,563 12,564 17,567 6,568 6,569 2,572 1.814,573 2.063,574 4.011,575 2.798,582 126.03,583 1.449,584 3.459,585 4.438,586 5.064,587 5.339,588 5.408,589 3.278,590 4.823,591 5.441,592 4.343,593 4108.7,594 9.578,595 86719.7,600 560.536,601 1.199,602 5.413,603 0.122,604 0.005,605 0.073,606 0.039,607 0.039,608 0.016,609 0.011,610 0.01,611 0.011,612 0.007,613 0.334,614 0.17,615 0.63,616 0.388,617 264.3,618 -0.07,619 -0.008,620 0.041,621 0.055,622 -0.03,623 0.062,624 0.078,625 -0.121,626 -0.006,627 -0.076,628 0.051,629 -0.055,630 0.029,631 0.039,632 0.081,633 0.07,634 0.021,635 0.079,636 -0.192,637 0.032,638 -0.133,639 -0.006,640 -0.177,641 -0.054,642 -0.041,643 -0.02,644 -0.178,645 -0.1,646 -0.024,647 -0.148,648 0.108,649 -0.113,650 -0.138,651 -0.174,652 0.105,653 -0.184,654 0.039,655 -0.045,656 0.051,657 -0.029,658 0.016,659 0.007,660 -0.003,661 0.091,662 0.185,663 0.139,664 0.022,665 0.183,666 2.067,667 5.633,668 0.636,669 58.727,670 0.992,671 1.131,672 2.011,673 4.043,674 0.651,675 3.912,676 4.22,677 4.522,678 4.804,679 5.088,680 5.153,681 5.283,682 5.398,683 5.472,684 5.338,685 11.332,686 0.61,687 593.85,688 3.912,689 5.451,690 6.308,691 7.185,692 8.062,693 8.949,694 9.836,695 10.728,696 11.62,697 12.516,698 8,699 1,703 2,705 2,708 2,714 4,715 8,716 2,720 6,722 22,734 2,741 87,743 24,744 2,745 49,747 92,748 35,749 18,750 4,751 8,756 6,757 12,767 8,770 11,772 20,773 15,777 2,782 2,786 2,793 43,794 9,795 6,796 9,802 7,808 0.333,809 2,822 2,829 6,833 4,843 2,851 1,859 2,868 44,869 1,876 14,877 4,880 1,893 2.3,896 2,901 21.333,902 15.067,903 9.75,904 5.769,907 4.536,908 1.501,909 1.011,910 10.017,911 13.58,912 4.143,913 4.727,914 5.338,915 5.946,916 6.559,917 6.888,918 7.266,919 7.616,920 7.921,921 7.748,922 1,923 73,924 16.428,926 7.076,927 0.026,929 7.598,931 32.189,933 27.364,936 2.098,937 92.333,941 435.531,942 145.82,943 138.511,945 50.29,948 145.82,949 485.821,950 138.511,952 102.687,953 75.81,954 129.292,955 26.832,957 435.531,959 435.531,960 284.331,961 50.29,964 411.989,965 73.832,968 112.489,969 102.25,970 69.593,972 435.531,973 188.801,974 145.82,977 435.531,978 70.01,979 75.81,980 72.043,981 116.758,982 435.531,983 188.801,984 145.82,986 0.572,987 0.34,988 0.19,989 0.11,990 31,991 13,992 0.13,993 12,994 4,995 1.286,996 5.528,997 438.271,998 0.286,999 28,1000 240.215,1005 30.455,1006 14.473,1007 7.231,1008 4.249,1009 188.801,1010 16.429,1011 9.781,1015 7.253,1017 104.94,1018 770.152,1019 62,1024 25.15,1028 -0.343,1031 86.272,1032 98.381,1034 0.225,1035 0.537,1036 0.689,1037 0.786,1038 0.829,1039 0.839,1040 5.382,1041 2.17,1042 6.271,1043 6.711,1044 4.905,1045 5.416,1046 2.659,1047 7.083,1048 4.866,1049 6.566,1050 1.669,1051 7.824,1052 6.067,1053 4.369,1054 5.263,1055 2.179,1056 8.003,1057 4.328,1058 7.871,1059 1.551,1060 9.485,1061 3.816,1062 6.485,1063 7.649,1064 3.633,1065 11.154,1066 6.409,1067 9.217,1068 1.52,1069 11.214,1070 3.459,1071 6.836,1072 8.394,1073 3.744,1074 12.963,1075 6.755,1076 10.604,1077 1.46,1078 12.988,1079 3.338,1080 8.37,1081 10.251,1082 4.806,1083 15.627,1084 8.262,1085 12.018,1086 1.347,1087 14.793,1088 3.329,1089 9.149,1090 11.41,1091 5.172,1092 17.793,1093 9.028,1094 13.455,1095 1.347,1096 16.619,1097 3.329,1098 10.447,1099 13.062,1100 6.049,1101 20.299,1102 10.303,1103 3.226,1104 1.247,1105 18.462,1106 3.065,1107 11.433,1108 14.416,1109 6.548,1110 22.614,1111 11.27,1112 3.226,1113 11.348,1114 20.318,1115 2.902,1116 12.638,1117 15.986,1118 7.326,1119 25.069,1120 12.454,1121 2.721,1122 11.348,1123 22.184,1124 4.564,1125 13.719,1126 17.429,1127 7.897,1128 27.447,1129 13.515,1130 2.532,1131 8.37,1132 24.057,1133 4.564,1134 14.892,1135 18.967,1136 8.622,1137 29.884,1138 14.667,1139 2.532,1140 8.37,1141 25.937,1142 3.437,1143 16.019,1144 20.451,1145 9.233,1146 32.29,1147 15.771,1148 2.348,1149 7.945,1150 27.823,1151 3.437,1152 17.183,1153 21.975,1154 9.929,1155 34.721,1156 16.914,1157 2.178,1158 6.712,1159 29.714,1160 3.073,1161 18.33,1162 23.478,1163 10.561,1164 37.139,1165 18.039,1166 40494,1167 59217,1168 33.69,1169 56.654,1170 72.321,1171 74.97,1172 74.218,1173 72.244,1174 72.265,1175 91.396,1176 10.144,1177 203.752,1178 70.858,1179 5.617,1180 5.71,1181 6.515,1182 5.252,1183 5.226,1184 7.564,1185 3.416,1186 18.879,1187 5.162,1188 15.999,1189 1.476,1190 1.53,1191 1.515,1192 1.474,1193 1.475,1194 1.865,1195 0.207,1196 4.158,1197 1.446,1198 4.137,1199 4.169,1200 4.094,1201 4.061,1202 7.431,1203 4.065,1204 4.088,1205 4.118,1206 4.052,1207 4.018,1208 7.426,1209 4.023,1210 3.812,1211 3.865,1212 3.717,1213 3.654,1214 5,1215 3.647,1216 3.733,1217 3.781,1218 3.617,1219 3.649,1220 4.972,1221 3.635,1222 3.732,1223 3.78,1224 3.617,1225 3.624,1226 4.954,1227 3.629,1228 3.65,1229 3.721,1230 3.543,1231 3.419,1232 4.415,1233 3.436,1234 3.527,1235 3.612,1236 3.373,1237 3.335,1238 4.413,1239 3.333,1240 3.374,1241 3.432,1242 3.266,1243 3.177,1244 4.279,1245 3.189,1246 0.095,1247 0.076,1248 0.139,1249 0.086,1250 0.066,1251 4.64,1252 0.093,1253 3.71,1254 0.04,1255 6.829,1256 0.232,1257 4.207,1258 0.065,1259 3.226,1260 4.564,1261 1.953,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.158,1267 2.163,1268 1.434,1269 2.163,1270 2.072,1271 2.046,1272 2.158,1273 2.163,1274 1.434,1275 2.163,1276 1.754,1277 1.709,1278 1.95,1279 1.96,1280 1.222,1281 1.955,1282 1.754,1283 1.709,1284 1.949,1285 1.873,1286 1.16,1287 1.902,1288 1.744,1289 1.692,1290 1.938,1291 1.872,1292 1.156,1293 1.902,1294 1.587,1295 1.515,1296 1.821,1297 1.844,1298 1.051,1299 1.839,1300 1.509,1301 1.43,1302 1.774,1303 1.741,1304 1.033,1305 1.758,1306 1.307,1307 1.256,1308 1.503,1309 1.56,1310 0.755,1311 1.545,1312 4.595,1314 5.905,1316 7.425,1318 9.05,1320 10.737,1326 6.134,1328 11.396,1329 13.018,1332 -0.733,1340 53.062,1341 126.03,1342 300.926,1343 386.098,1344 440.536,1345 464.536,1346 470.536,1347 87.918,1348 9.045,1349 134.06,1350 134.06,1351 36,1352 13.042,1353 4.644,1354 3.807,1355 66.818,1356 312,1357 202,1358 0.1,1359 322.566,1360 559.2,1361 778.821,1362 179052,1364 30.305,1365 0.689,1366 0.577,1367 30.305,1368 25.384,1369 21.581,1370 0.44,1371 0.33,1372 16.02,1373 21.01,1374 15.754,1375 12.973,1376 21.581,1377 16.17,1378 18.839,1379 0.281,1380 0.178,1381 18.839,1382 11.912,1383 16.3,1384 0.179,1385 0.097,1386 16.3,1387 8.833,1388 13.62,1389 0.113,1390 0.054,1391 13.62,1392 6.549,1393 11.802,1394 0.073,1395 0.031,1396 11.802,1397 4.947,1398 0.167,1399 133.559,1400 0.172,1401 40.073,1402 0.248,1403 232,1404 565.405,1405 248.446,1406 555.646,1407 774,1408 524,1409 274,1410 577.301,1411 290.616,1412 583.929,1413 860.99,1414 557,1415 8.207}
{0 CHEMBL397739,1 1.669,2 8.5,3 3.942,4 15.539,5 62.938,6 10.854,7 0.571,8 3.405,9 3.461,10 3.239,11 3.019,12 4.929,13 3.073,14 3.855,15 3.926,16 3.637,17 3.33,18 5.503,19 3.408,20 4.158,21 4.271,22 3.814,23 3.352,24 6.196,25 3.461,26 4.037,27 4.165,28 3.509,29 3.128,30 5.781,31 3.245,32 3.835,33 3.929,34 3.434,35 2.952,36 5.843,37 3.091,38 3.666,39 3.74,40 3.384,41 2.886,42 5.913,43 2.99,44 3.596,45 3.746,46 3.167,47 2.794,48 5.55,49 2.847,50 3.502,51 3.698,52 2.939,53 2.456,54 5.225,55 2.583,56 0.331,57 0.637,58 0.956,59 2.435,60 69,61 1.759,62 0.581,63 1.011,64 1.801,65 3.862,66 119.31,67 2.79,68 1.233,69 1.422,70 6.842,71 5.247,72 242.267,73 3.825,74 1.036,75 0.917,76 7.845,77 4.589,78 212.102,79 3.162,80 0.91,81 0.689,82 6.219,83 3.493,84 199.658,85 2.203,86 0.778,87 0.667,88 3.09,89 2.967,90 166.505,91 1.994,92 0.635,93 0.699,94 4.681,95 3.134,96 124.808,97 3.062,98 0.648,99 0.74,100 6.102,101 2.96,102 123.114,103 2.591,104 37,105 30,106 0.325,107 0.519,108 0.59,109 0.691,110 0.721,111 0.721,112 3.058,113 0.77,114 -5.16,115 -5.06,116 -4.73,121 53.8,144 6,145 2,146 4,159 2,176 6,180 2,187 4,191 1,192 6,200 3,206 6,214 4,219 2,227 6,239 4,251 1,281 468,282 12.776,283 12.776,284 12.776,285 12.776,286 12.776,287 10.997,288 6.153,289 7.207,290 12.938,291 10.237,292 10.237,293 10.237,294 10.237,295 10.237,296 7.541,297 2.462,298 3.364,299 10.578,300 3.031,301 2.039,302 1.673,303 1.154,304 1,305 1,306 3.705,311 1,312 1,313 348,314 3,318 140.888,325 1.3,326 57.781,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 48,338 170,339 4.439,340 3.841,341 6.546,342 4.104,343 3.083,344 4.051,346 10.122,347 3.151,348 4.22,349 3.3,350 6.008,351 3.778,352 2.825,353 3.882,355 8.501,356 2.692,357 3.986,358 3.26,359 5.864,360 3.567,361 2.62,362 3.432,364 7.885,365 2.444,366 3.554,367 2.929,368 5.53,369 3.165,370 2.188,371 2.886,373 6.86,374 2.104,375 2.917,376 2.132,377 4.49,378 2.431,379 1.414,380 2.035,382 4.039,383 1.421,384 2.82,385 2.126,386 4.048,387 2.353,388 1.414,389 1.949,391 3.527,392 1.311,393 2.817,394 1.907,395 4.033,396 2.351,397 1.414,398 1.939,400 3.495,401 1.308,402 2.294,403 1.884,404 3.348,405 1.66,406 0.586,407 0.897,409 1.366,410 0.612,411 1.361,412 0.711,413 2.547,414 0.954,415 0.082,416 0.099,418 0.178,419 0.069,420 1.355,421 0.704,422 2.377,423 0.913,429 0.749,430 0.01,431 2.372,432 0.292,433 -0.652,434 -0.845,436 -1.692,437 -0.587,438 0.746,439 -0.071,440 2.149,441 0.291,442 -0.661,443 -0.885,445 -1.695,446 -0.603,447 0.286,448 -0.311,449 1.828,450 -0.157,451 -1.19,452 -1.538,454 -2.981,455 -1.118,456 0.087,457 -0.764,458 1.457,459 -0.267,460 -1.209,461 -1.575,463 -3.126,464 -1.119,465 -0.057,466 -1.056,467 1.281,468 -0.432,469 -1.414,470 -1.849,472 -3.716,473 -1.25,474 8.81,475 0.44,476 0.689,477 0.034,478 27,479 1.35,480 15,481 0.75,482 12,483 0.6,484 11.702,485 0.585,486 21.79,487 0.838,488 21.915,489 1.096,490 5.929,491 0.296,492 3.467,493 0.173,494 0.205,496 0.454,499 4,501 0.553,502 0.735,503 0.48,504 0.856,505 0.589,506 0.775,507 0.712,508 0.945,509 0.618,510 1.1,511 0.721,512 0.996,513 0.887,514 0.906,515 0.937,516 1.049,517 0.866,518 1.064,519 1.264,520 0.898,521 1.336,522 0.994,523 1.309,524 1.069,525 1.089,526 0.736,527 1.085,528 0.77,529 1.201,530 0.811,531 0.632,532 0.872,533 0.818,534 0.968,535 0.671,536 1.087,537 0.578,538 1.021,539 0.75,540 1.128,541 0.525,542 1.213,543 1.374,544 1.469,545 1.29,546 1.18,547 1.259,548 1.131,549 5,550 0.041,551 3.556,552 1.625,553 1.467,554 0.694,555 0.405,556 0.267,557 0.18,558 0.111,559 3361,560 18189,561 1.911,562 23.1,564 6,572 1.618,573 1.714,574 3.105,575 -0.689,582 43.399,583 1.669,584 2.661,585 3.027,586 3.547,587 3.7,588 3.7,589 2.522,590 3.322,591 4.296,592 3.185,593 605.222,594 7.34,595 6121.7,597 1,599 1,600 122.211,601 1.571,602 4.201,603 0.238,604 0.01,605 0.119,606 0.051,607 0.061,608 0.032,609 0.02,610 0.017,611 0.015,612 0.014,613 0.576,614 0.83,615 1,616 0.737,617 88.111,618 0.007,619 0.022,620 0.001,621 0.031,622 -0.025,623 0.025,624 -0.047,625 -0.14,626 -0.009,627 -0.202,628 -0.051,629 -0.16,630 0.048,631 0.042,632 -0.01,633 -0.096,634 0.069,635 -0.118,636 -0.336,637 -0.083,638 -0.3,639 -0.053,640 -0.341,641 -0.048,642 -0.15,643 0.001,644 -0.125,645 0.146,646 -0.178,647 0.125,648 0.29,649 -0.015,650 0.014,651 -0.047,652 0.282,653 -0.233,654 0.246,655 -0.185,656 0.356,657 -0.164,658 0.274,659 -0.053,660 -0.268,661 -0.331,662 0.057,663 -0.139,664 -0.218,665 0.094,666 2.95,667 4.974,668 0.6,669 13,670 1.082,671 1.148,672 3.934,673 15.475,674 0.71,675 3.091,676 3.434,677 3.664,678 3.761,679 3.97,680 3.932,681 3.85,682 3.714,683 3.638,684 3.611,685 5.028,686 0.754,687 282.2,688 3.091,689 4.635,690 5.476,691 6.34,692 7.2,693 8.064,694 8.928,695 9.793,696 10.659,697 11.525,715 6,720 6,722 12,727 2,740 4,741 26,743 14,744 2,745 21,747 27,748 14,749 12,750 6,751 6,752 2,756 2,757 2,772 14,777 2,782 2,786 2,790 1,791 4,793 6,794 6,796 6,808 1,809 2,829 2,859 2,866 4,868 20,892 4,893 7.7,896 2,901 11.667,902 4.905,903 4.389,904 1.428,907 2.143,908 1.347,909 0.976,910 3.671,911 8.317,912 3.401,913 4.025,914 4.59,915 5.022,916 5.547,917 5.651,918 5.747,919 5.719,920 5.873,921 6.188,922 0.833,923 32,924 7.596,926 3.609,927 0.026,929 9.067,931 12.61,933 10.063,936 3.567,937 71.333,941 70.627,942 109.98,945 50.29,946 59.84,948 109.98,949 120.916,950 59.84,953 56.857,954 60.557,955 42.855,956 59.84,957 70.627,959 70.627,960 109.98,961 110.13,964 130.467,965 50.29,969 109.98,972 130.467,973 50.29,974 109.98,977 70.627,978 53.122,979 56.857,981 110.13,982 70.627,983 110.13,984 109.98,986 0.601,987 0.359,988 0.157,989 0.087,990 14,991 8,992 0.111,993 3,995 1,996 3.081,997 144.611,999 12,1000 66.439,1005 13.952,1006 5.262,1007 2.777,1009 110.13,1010 4.379,1015 -5.649,1018 290.737,1019 29,1024 23.5,1028 -2.287,1031 28.123,1032 29.854,1034 0.355,1035 0.566,1036 0.644,1037 0.755,1038 0.787,1039 0.787,1040 4.635,1041 0.586,1042 5.501,1043 3.495,1044 4.111,1045 4.71,1047 6.315,1048 4.057,1049 5.882,1050 0.082,1051 7.091,1052 1.366,1053 3.892,1054 4.663,1056 7.239,1057 3.789,1058 7.21,1060 8.776,1061 0.178,1062 5.733,1063 6.931,1065 10.294,1066 5.657,1067 8.571,1068 -0.652,1069 10.511,1071 6.256,1072 7.614,1074 11.947,1075 6.153,1076 9.957,1077 -0.661,1078 12.274,1079 -1.692,1080 7.633,1081 9.407,1083 14.55,1084 7.555,1085 11.361,1086 -1.19,1087 14.057,1088 -1.695,1089 8.468,1090 10.416,1092 16.518,1093 8.389,1094 12.778,1095 -1.209,1096 15.853,1097 -2.981,1098 9.673,1099 12.009,1101 18.948,1102 9.616,1103 3.083,1104 -1.414,1105 17.659,1106 -3.126,1107 10.647,1108 13.182,1110 21.073,1111 10.606,1112 2.825,1113 10.122,1114 19.473,1115 -3.716,1116 11.784,1117 14.676,1119 23.429,1120 11.767,1121 2.62,1122 8.501,1123 21.294,1124 4.051,1125 12.823,1126 15.938,1128 25.637,1129 12.832,1130 2.188,1131 7.885,1132 23.12,1133 3.882,1134 13.934,1135 17.381,1137 27.962,1138 13.971,1139 1.414,1140 6.86,1141 24.95,1142 3.432,1143 15.005,1144 18.693,1146 30.216,1147 15.072,1148 1.414,1149 4.039,1150 26.785,1151 2.886,1152 16.109,1153 20.108,1155 32.529,1156 16.205,1157 1.414,1158 3.527,1159 28.624,1160 2.035,1161 17.197,1162 21.45,1164 34.808,1165 17.325,1166 3475,1167 8162,1168 12.948,1169 18.466,1170 32,1171 35.263,1172 34.019,1173 31.425,1174 31.255,1175 42.341,1177 91.944,1178 30.225,1179 5.265,1180 5.841,1181 5.845,1182 5.104,1183 5.083,1184 7.051,1186 17.314,1187 5.151,1188 13.023,1189 1.524,1190 1.679,1191 1.62,1192 1.496,1193 1.488,1194 2.016,1196 4.378,1197 1.439,1198 3.993,1199 4.006,1200 3.968,1201 3.906,1202 8.243,1203 3.916,1204 3.877,1205 3.899,1206 3.848,1207 3.793,1208 8.236,1209 3.8,1210 3.422,1211 3.411,1212 3.425,1213 3.218,1214 8.161,1215 3.265,1216 2.941,1217 2.968,1218 2.935,1219 2.748,1220 8.161,1221 2.781,1222 2.896,1223 2.955,1224 2.804,1225 2.733,1226 7.496,1227 2.734,1228 2.887,1229 2.94,1230 2.791,1231 2.733,1232 7.352,1233 2.732,1234 2.61,1235 2.643,1236 2.568,1237 2.347,1238 4.512,1239 2.388,1240 2.282,1241 2.249,1242 2.263,1243 1.773,1244 4.47,1245 1.896,1246 0.211,1247 0.183,1248 0.312,1249 0.195,1250 0.147,1251 4.439,1252 0.193,1253 3.841,1255 6.546,1256 0.482,1257 4.104,1258 0.15,1259 3.083,1260 4.051,1262 10.122,1263 3.151,1264 1.929,1265 1.917,1266 1.995,1267 2.031,1268 1.085,1269 2.017,1270 1.842,1271 1.822,1272 1.923,1273 1.944,1274 1.012,1275 1.935,1276 1.27,1277 1.278,1278 1.305,1279 1.499,1280 0.28,1281 1.428,1282 0.864,1283 0.81,1284 1.118,1285 1.069,1286 0.163,1287 1.08,1288 0.858,1289 0.804,1290 1.091,1291 1.068,1292 0.113,1293 1.076,1294 0.805,1295 0.787,1296 0.897,1297 1.033,1299 0.98,1300 0.462,1301 0.433,1302 0.669,1303 0.773,1305 0.729,1308 0.237,1309 0.471,1311 0.339,1312 3.761,1314 5.094,1316 6.621,1318 8.229,1320 9.873,1324 51.391,1340 19.597,1341 43.399,1342 69.192,1343 78.702,1344 92.211,1345 96.211,1346 96.211,1347 78.955,1348 6.174,1349 34.14,1350 34.14,1351 12,1352 12.071,1353 3.907,1354 3.17,1355 36.41,1356 60,1357 54,1358 0.306,1359 119.643,1360 224.98,1361 283.688,1362 3037,1363 15.4,1364 14.861,1365 0.743,1366 0.49,1367 11.38,1368 9.792,1369 9.397,1370 0.447,1371 0.257,1372 5.261,1373 8.828,1374 5.226,1375 4.267,1376 7.788,1377 5.39,1378 8.774,1379 0.292,1380 0.131,1381 6.514,1382 3.916,1383 7.594,1384 0.2,1385 0.068,1386 5.616,1387 2.57,1388 4.992,1389 0.119,1390 0.037,1391 4.179,1392 1.537,1393 3.999,1394 0.077,1395 0.019,1396 3.131,1397 0.982,1398 0.469,1399 60.999,1400 0.278,1401 19.743,1402 0.87,1403 102,1404 625.916,1405 121.531,1406 492.718,1407 609.56,1408 450,1409 119,1410 398.606,1411 138.407,1412 377.969,1413 553.82,1414 354,1415 4}
{0 CHEMBL397891,1 1.354,2 15.392,3 9.603,4 92.212,5 206.222,6 7.214,7 0.603,8 4.617,9 4.738,10 4.179,11 4.243,12 5.669,13 4.198,14 5.164,15 5.328,16 4.56,17 4.675,18 6.124,19 4.607,20 5.473,21 5.687,22 4.693,23 4.844,24 6.396,25 4.759,26 5.577,27 5.787,28 4.832,29 4.929,30 6.57,31 4.865,32 5.666,33 5.858,34 4.969,35 5.061,36 6.729,37 5.004,38 5.815,39 6.032,40 4.943,41 5.152,42 6.813,43 5.058,44 5.819,45 6.06,46 4.776,47 5.117,48 6.722,49 4.982,50 5.732,51 5.986,52 4.591,53 5.014,54 6.565,55 4.852,56 0.142,57 1.319,58 19.059,59 8.688,60 17.72,61 11.73,62 0.305,63 2.233,64 35.012,65 15.102,66 30.363,67 20.803,68 0.353,69 2.928,70 51.118,71 20.44,72 50.015,73 28.678,74 0.484,75 3.319,76 57.307,77 20.903,78 69.756,79 29.065,80 0.543,81 3.722,82 61.126,83 21.902,84 86.171,85 30.373,86 0.633,87 4.226,88 72.739,89 26.686,90 101.124,91 37.469,92 0.553,93 4.048,94 74.691,95 29.689,96 94.817,97 41.815,98 0.445,99 3.603,100 69.11,101 29.157,102 76.034,103 41.162,104 8,105 83,106 0.196,107 0.458,108 0.587,109 0.723,110 0.765,111 0.765,112 3.954,113 0.941,114 -9.19,115 -8.88,116 -8.16,121 47.3,122 1,123 7,125 1,127 1,132 1,144 23,145 6,146 1,160 2,163 1,168 3,176 38,179 5,180 9,187 45,191 1,192 23,200 39,206 39,214 40,219 43,227 55,232 33,239 67,244 15,251 72,255 1,256 6,264 66,268 1,269 3,277 51,281 5985,282 35.806,283 35.806,284 35.806,285 35.806,286 35.806,287 31.461,288 30.132,289 21.446,290 36.027,291 28.625,292 28.625,293 28.625,294 28.625,295 28.625,296 22.243,297 35.87,298 10.012,299 29.016,300 5.185,301 3.38,302 2.488,303 1.549,304 1.259,305 1.259,306 4.679,313 1761,314 4.359,317 435.153,318 817.642,325 2.221,326 32.383,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.49,337 106,338 785,339 4.982,340 4.343,341 8.488,342 4.814,343 3.823,344 4.456,345 2.04,346 17.319,347 3.792,348 4.716,349 4.199,350 7.718,351 4.567,352 3.593,353 4.112,354 2.021,355 14.285,356 3.497,357 4.467,358 3.209,359 6.776,360 4.098,361 3.118,362 3.936,363 1.358,364 11.085,365 3.06,366 4.054,367 3.061,368 6.218,369 3.686,370 2.718,371 3.65,372 0.69,373 9.14,374 2.633,375 3.829,376 2.851,377 6.128,378 3.547,379 2.586,380 3.309,381 0.239,382 8.666,383 2.476,384 3.736,385 2.722,386 5.58,387 3.301,388 2.32,389 3.298,391 6.893,392 2.278,393 3.736,394 2.517,395 5.58,396 3.278,397 2.278,398 3.298,400 6.623,401 2.278,402 3.66,403 2.361,404 5.407,405 3.278,406 2.278,407 2.809,409 6.623,410 2.27,411 3.357,412 2.361,413 5.22,414 2.947,415 1.96,416 2.649,418 5.88,419 1.933,420 3.216,421 2.05,422 5.12,423 2.808,424 1.811,425 2.512,427 5.333,428 1.798,429 3.152,430 1.807,431 4.536,432 2.747,433 1.747,434 2.22,436 4.183,437 1.745,438 2.895,439 1.618,440 4.1,441 2.426,442 1.443,443 2.068,445 3.413,446 1.417,447 2.781,448 1.495,449 4.012,450 2.384,451 1.389,452 1.908,454 3.043,455 1.379,456 2.781,457 1.47,458 3.784,459 2.317,460 1.336,461 1.908,463 2.901,464 1.317,465 2.627,466 1.38,467 3.669,468 2.317,469 1.317,470 1.681,472 2.901,473 1.317,474 24.733,475 0.485,476 0.965,477 0.019,478 68.25,479 1.338,480 37,481 0.725,482 31.25,483 0.613,484 54.194,485 1.063,486 51.467,487 0.553,488 65.318,489 1.281,490 12.963,491 0.254,492 12.174,493 0.239,494 0.034,495 0.04,496 0.235,501 0.538,502 1.024,503 0.791,504 0.968,505 0.566,506 0.914,507 0.579,508 1.076,509 0.879,510 1.033,511 0.639,512 0.991,513 0.896,514 1.077,515 0.851,516 0.962,517 0.859,518 0.911,519 1.54,520 1.093,521 0.911,522 0.87,523 1.449,524 0.842,525 1.646,526 1.152,527 1.017,528 0.919,529 1.31,530 0.911,531 1.443,532 1.062,533 1.122,534 0.982,535 1.157,536 1.01,537 1.044,538 0.956,539 1.083,540 1.01,541 1.013,542 1.042,543 0.679,544 0.907,545 1.023,546 1.037,547 0.772,548 1.058,549 8,550 0.334,551 6.444,552 5.104,553 2.866,554 1.904,555 1.519,556 0.854,557 0.534,558 0.353,559 50259,560 105935,561 2.2,562 45.2,563 11,564 25,568 2,569 4,572 1.859,573 2.125,574 3.787,575 -0.859,582 125.94,583 1.354,584 3.16,585 4.051,586 4.99,587 5.28,588 5.28,589 3.19,590 4.642,591 5.645,592 4.066,593 5184.27,594 10.065,595 102749,600 608.142,601 1.23,602 5.625,603 0.138,604 0.005,605 0.078,606 0.055,607 0.027,608 0.015,609 0.013,610 0.009,611 0.007,612 0.005,613 0.352,614 0.17,615 0.5,616 0.628,617 304.648,618 0.225,619 0.065,620 0.078,621 0.018,622 0.058,623 0.028,624 0.251,625 -0.018,626 0.032,627 -0.048,628 0.023,629 -0.034,630 0.101,631 -0.059,632 0.117,633 0.022,634 0.073,635 0.063,636 -0.094,637 -0.024,638 0.085,639 0.078,640 -0.05,641 0.092,642 -0.182,643 -0.038,644 -0.039,645 0.011,646 -0.013,648 -0.209,649 0.013,650 -0.139,651 -0.035,652 -0.074,653 -0.071,654 -0.13,655 0.033,656 -0.102,657 -0.018,658 -0.085,659 -0.05,660 -0.02,661 0.026,662 -0.049,663 -0.013,664 -0.049,665 -0.03,666 2.055,667 6.782,668 0.863,669 65.931,670 0.988,671 1.115,672 7.959,673 63.351,674 0.69,675 4.078,676 4.431,677 4.82,678 5.182,679 5.447,680 5.58,681 5.765,682 5.889,683 5.958,684 6.047,685 9.254,686 0.649,687 670.92,688 4.078,689 5.645,690 6.544,691 7.466,692 8.392,693 9.329,694 10.267,695 11.21,696 12.153,697 13.098,698 6.5,705 1,706 1,707 1,708 3,715 23,716 3,720 8,721 1,722 35,741 93,743 37,744 5,745 58,747 100,748 44,749 31,750 7,751 23,756 8,757 8,763 1,764 1,767 4,768 1,770 7,772 33,773 11,774 1,777 2,782 1,785 1,786 2,793 42,794 6,796 7,802 6,804 1,808 0.875,809 1,828 3,829 5,844 1,859 7,864 1,868 51,876 8,881 1,882 2,893 1.1,896 1,901 24,902 17.033,903 11.292,904 6.188,907 5.297,908 1.547,909 1.009,910 9.091,911 14.986,912 4.363,913 4.954,914 5.586,915 6.213,916 6.767,917 7.081,918 7.587,919 8.033,920 8.41,921 8.767,922 0.9,923 93,924 18.937,926 8.273,927 0.026,929 7.503,931 37.139,933 31.92,936 2.003,937 102.167,941 494.386,942 277.857,943 71.43,945 25.145,948 277.857,949 519.531,950 71.43,951 8.825,952 22.972,953 217.954,954 84.249,955 40.432,957 494.386,959 494.386,960 349.287,961 25.145,964 447.302,965 72.229,968 52.687,969 246.856,970 49.744,972 494.386,973 96.575,974 277.857,977 494.386,978 51.078,979 231.68,981 91.674,982 494.386,983 96.575,984 277.857,986 0.573,987 0.358,988 0.219,989 0.126,990 42,991 16,992 0.11,993 11,995 1.023,996 5.49,997 627.117,999 45,1000 240.764,1005 32.843,1006 14.117,1007 5.872,1009 94.799,1010 48.315,1011 13.821,1015 7.914,1016 1.899,1018 868.819,1019 77.5,1024 13.782,1027 5.085,1028 1.147,1031 91.843,1032 103.673,1034 0.207,1035 0.483,1036 0.62,1037 0.763,1038 0.808,1039 0.808,1040 5.616,1041 2.278,1042 6.55,1043 6.623,1044 5.118,1045 5.644,1046 2.864,1047 7.498,1048 5.088,1049 6.826,1050 1.96,1051 8.19,1052 6.623,1053 4.796,1054 5.301,1055 2.661,1056 8.985,1057 4.736,1058 8.153,1059 1.811,1060 9.967,1061 5.88,1062 6.853,1063 7.813,1064 3.83,1065 12.2,1066 6.786,1067 9.529,1068 1.747,1069 11.838,1070 5.333,1071 7.513,1072 8.373,1073 4.178,1074 14.636,1075 7.421,1076 10.95,1077 1.443,1078 13.775,1079 4.183,1080 9.025,1081 10.294,1082 5.079,1083 17.512,1084 8.924,1085 12.405,1086 1.389,1087 15.759,1088 3.413,1089 10.09,1090 11.283,1091 5.62,1092 20.226,1093 9.971,1094 13.886,1095 1.336,1096 17.776,1097 3.043,1098 11.442,1099 12.95,1100 6.426,1101 23.05,1102 11.312,1103 3.823,1104 1.317,1105 19.818,1106 2.901,1107 12.662,1108 14.16,1109 7.049,1110 25.845,1111 12.52,1112 3.593,1113 17.319,1114 21.878,1115 2.901,1116 13.974,1117 15.712,1118 7.81,1119 28.669,1120 13.822,1121 3.118,1122 14.285,1123 23.953,1124 4.456,1125 15.253,1126 17.04,1127 8.474,1128 31.49,1129 15.09,1130 2.718,1131 11.085,1132 26.039,1133 4.112,1134 16.561,1135 18.539,1136 9.211,1137 34.322,1138 16.389,1139 2.586,1140 9.14,1141 28.133,1142 3.936,1143 17.862,1144 19.931,1145 9.895,1146 37.155,1147 17.681,1148 2.32,1149 8.666,1150 30.234,1151 3.65,1152 19.175,1153 21.409,1154 10.62,1155 39.993,1156 18.984,1157 2.278,1158 6.893,1159 32.341,1160 3.309,1161 20.487,1162 22.836,1163 11.315,1164 42.832,1165 20.288,1166 45678,1167 66643,1168 40.216,1169 64.194,1170 88.632,1171 88.404,1172 91.057,1173 87.77,1174 87.713,1175 114.962,1176 12.695,1177 262.652,1178 86.559,1179 5.963,1180 6.343,1181 8.349,1182 5.87,1183 5.823,1184 7.456,1185 3.538,1186 25.888,1187 5.792,1188 14.826,1189 1.528,1190 1.524,1191 1.57,1192 1.513,1193 1.512,1194 1.982,1195 0.219,1196 4.528,1197 1.492,1198 4.138,1199 4.174,1200 4.101,1201 4.061,1202 7.427,1203 4.063,1204 4.014,1205 4.052,1206 3.961,1207 3.95,1208 5.23,1209 3.946,1210 3.965,1211 3.996,1212 3.911,1213 3.85,1214 4.833,1215 3.859,1216 3.808,1217 3.854,1218 3.747,1219 3.753,1220 4.799,1221 3.743,1222 3.808,1223 3.841,1224 3.729,1225 3.753,1226 4.688,1227 3.743,1228 3.806,1229 3.841,1230 3.729,1231 3.714,1232 4.688,1233 3.711,1234 3.677,1235 3.746,1236 3.568,1237 3.551,1238 4.65,1239 3.532,1240 3.615,1241 3.682,1242 3.51,1243 3.378,1244 4.565,1245 3.421,1246 0.086,1247 0.075,1248 0.146,1249 0.083,1250 0.066,1251 4.982,1252 0.077,1253 4.343,1254 0.035,1255 8.488,1256 0.299,1257 4.814,1258 0.065,1259 3.823,1260 4.456,1261 2.04,1262 17.319,1263 3.792,1264 2.046,1265 2.026,1266 2.128,1267 2.114,1268 1.327,1269 2.118,1270 1.994,1271 1.972,1272 2.087,1273 2.058,1274 1.282,1275 2.07,1276 1.824,1277 1.794,1278 1.981,1279 1.924,1280 1.233,1281 1.939,1282 1.824,1283 1.794,1284 1.961,1285 1.905,1286 1.211,1287 1.926,1288 1.797,1289 1.763,1290 1.961,1291 1.905,1292 1.17,1293 1.926,1294 1.724,1295 1.664,1296 1.914,1297 1.876,1298 1.044,1299 1.894,1300 1.617,1301 1.578,1302 1.86,1303 1.777,1304 1.01,1305 1.793,1306 1.577,1307 1.507,1308 1.792,1309 1.751,1310 1.01,1311 1.782,1312 4.762,1314 6.107,1315 3.434,1316 7.674,1317 5.82,1318 9.346,1319 7.953,1320 11.081,1322 2.187,1328 7.382,1333 1.966,1334 -1.333,1340 60.326,1341 125.94,1342 293.838,1343 376.762,1344 464.049,1345 491.083,1346 491.083,1347 91.795,1348 9.689,1349 76.27,1350 76.27,1351 45,1352 13.591,1353 5.248,1354 4.358,1355 69.066,1356 283,1357 319,1358 0.116,1359 362.828,1360 630.11,1361 877.06,1362 282543,1364 34.677,1365 0.68,1366 0.569,1367 34.677,1368 29.027,1369 25.137,1370 0.433,1371 0.314,1372 18.071,1373 24.65,1374 17.657,1375 14.664,1376 25.137,1377 18.188,1378 21.963,1379 0.265,1380 0.166,1381 21.963,1382 13.738,1383 20.086,1384 0.163,1385 0.087,1386 20.086,1387 10.646,1388 18.02,1389 0.102,1390 0.046,1391 18.02,1392 8.108,1393 15.152,1394 0.066,1395 0.024,1396 15.152,1397 5.644,1398 0.183,1399 154.263,1400 0.158,1401 42.887,1402 0.32,1403 282,1404 651.606,1405 297.148,1406 655.172,1407 938.63,1408 618,1409 347,1410 737.135,1411 365.755,1412 750.88,1413 1115,1414 712,1415 6.416}
{0 CHEMBL398109,1 1.658,2 4.571,3 2.715,4 7.372,5 58.819,6 12.238,7 0.625,8 3.079,9 3.088,10 3.206,11 2.997,12 4.345,13 2.903,14 3.539,15 3.55,16 3.619,17 3.409,18 4.833,19 3.303,20 3.652,21 3.689,22 3.664,23 3.322,24 5.26,25 3.246,26 3.513,27 3.533,28 3.573,29 3.162,30 5.105,31 3.108,32 3.331,33 3.438,34 3.07,35 2.755,36 4.807,37 2.544,38 2.458,39 2.667,40 0.732,41 1.386,42 3.655,43 1.113,44 0.635,45 0.899,46 0.007,47 0.135,48 0.693,49 0.067,56 0.046,57 0.124,58 0.212,59 0.905,60 8.713,61 0.989,62 0.086,63 0.233,64 3.411,65 2.158,66 17.02,67 1.878,68 0.216,69 0.334,70 6.263,71 3.366,72 48.399,73 2.611,74 0.125,75 0.248,76 1.376,77 2.108,78 19.563,79 1.674,80 0.195,81 0.316,82 8.124,83 3.478,84 34.531,85 2.317,86 0.136,87 0.19,88 6.042,89 2.201,90 27.373,91 1.483,92 0.008,93 0.022,94 0.874,95 0.243,96 1.449,97 0.316,104 5,105 24,106 0.349,107 0.62,108 0.667,109 0.667,110 0.667,111 0.667,112 2.741,113 1.086,114 -2.78,115 -2.79,116 -2.71,121 55.6,144 2,145 2,153 2,154 2,159 2,176 3,187 6,191 1,192 4,200 3,206 6,214 2,219 2,227 1,281 100,282 9.552,283 9.552,284 9.552,285 9.552,286 9.552,287 8.251,288 1.747,289 5.406,290 9.883,291 7.857,292 7.857,293 7.857,294 7.857,295 7.857,296 5.751,297 0.589,298 2.5,299 8.342,300 2.512,301 1.222,302 1,303 1,304 1,305 1,306 3.401,312 1,313 142,314 1.732,317 38.087,318 22.25,321 68.907,324 46.656,325 0.49,326 18.424,329 1,330 0.83,331 1,332 0.4,334 1,335 1,336 0.75,337 30,338 64,339 4.669,340 3.881,341 6.988,342 4.307,343 3.325,344 4.35,346 11.819,347 3.264,348 3.941,349 2.987,350 6.042,351 3.436,352 2.521,353 3.52,355 8.453,356 2.473,357 3.778,358 2.898,359 5.925,360 3.432,361 2.394,362 3.108,364 7.898,365 2.291,366 2.784,367 2.148,368 4.118,369 2.268,370 1.284,371 1.837,373 3.117,374 1.245,375 2.706,376 1.324,377 4.068,378 2.075,379 1.258,380 1.79,382 3.08,383 1.003,384 2.298,385 1.037,386 3.416,387 1.73,388 0.785,389 1.157,391 1.998,392 0.719,393 2.118,394 1.032,395 3.336,396 1.468,397 0.618,398 0.927,400 1.61,401 0.508,402 2.055,403 0.618,404 3,405 1.344,406 0.272,407 0.467,409 0.624,410 0.283,411 0.578,412 -0.184,413 2.341,414 0.122,415 -0.834,416 -1.058,418 -2.054,419 -0.755,420 0.181,421 -0.98,422 2,423 -0.225,424 -1.231,425 -1.706,427 -3.042,428 -1.207,429 0.12,430 -0.99,431 1.548,432 -0.298,433 -1.355,434 -2,436 -3.558,437 -1.312,438 -0.106,439 -1.566,440 1.485,441 -0.638,442 -1.574,443 -2.054,445 -4.799,446 -1.316,447 -0.118,448 -1.618,449 1.452,450 -0.718,451 -1.618,452 -2.427,454 -4.869,455 -1.546,456 -0.461,457 -1.787,458 1.223,459 -0.972,460 -1.846,461 -2.527,463 -5.963,464 -1.804,465 -0.664,466 -2,467 0.553,468 -1,469 -2,470 -2.618,472 -6.314,473 -1.846,474 7.333,475 0.524,476 0.384,477 0.027,478 19.5,479 1.393,480 11,481 0.786,482 8.5,483 0.607,484 8.814,485 0.63,486 13.067,487 0.726,488 10.417,489 0.744,490 3.529,491 0.252,492 3.258,493 0.233,494 0.091,496 0.409,501 0.483,502 0.587,503 0.684,504 0.603,505 0.482,506 0.567,507 0.625,508 0.819,509 1.033,510 0.913,511 0.596,512 0.787,513 0.704,514 1.031,515 0.936,516 1.086,517 0.779,518 0.911,519 1.058,520 1.214,521 0.737,522 1.072,523 1.137,524 0.993,525 1.699,526 1.289,527 1.264,528 1.154,529 1.588,530 1.53,531 2.45,532 1.033,533 1.977,534 1.268,535 2.321,536 1.653,549 2,551 2.222,552 0.986,553 1.237,554 0.16,559 1200,560 4698,561 2.155,562 22.2,564 2,565 2,572 1.52,573 2,574 2.31,575 -0.696,582 29.839,583 1.658,584 2.948,585 3.17,586 3.17,587 3.17,588 3.17,589 0.985,590 2.522,591 3.79,592 2.238,593 203.69,594 6.361,595 1609.46,597 1,600 75.059,601 1.449,602 3.733,603 0.125,605 0.093,606 0.043,607 0.062,608 0.02,613 0.342,614 0.83,615 1,616 0.673,617 50.052,618 -0.012,619 0.074,620 -0.006,621 0.066,622 -0.027,623 0.061,624 -0.058,625 -0.077,626 -0.196,627 -0.113,628 -0.037,629 -0.081,630 0.264,631 -0.117,632 -0.012,633 -0.168,634 0.197,635 -0.024,636 0.003,637 -0.352,638 0.069,639 -0.24,640 -0.063,641 -0.22,642 -0.375,643 -0.058,644 -0.045,645 0.076,646 -0.26,647 -0.238,648 -0.753,649 0.624,650 -0.487,651 0.285,652 -0.627,653 0.269,654 0.661,655 1.882,656 1.719,657 1.632,658 0.483,659 3.066,666 2.023,667 4.606,668 0.857,669 5.265,670 1.032,671 1.061,672 1.55,673 2.402,674 0.874,675 2.833,676 3.219,677 3.611,678 3.932,679 4.06,680 4.174,681 4.159,682 4.143,683 3.807,684 3.497,685 3.036,686 0.825,687 220.28,688 2.833,689 4.394,690 5.303,691 6.225,692 7.148,693 8.072,694 8.998,695 9.923,696 10.848,697 11.774,715 4,719 2,720 4,722 10,727 2,741 18,743 12,745 16,747 20,748 10,749 8,752 2,756 3,757 6,772 10,777 2,782 2,786 2,793 4,794 2,796 4,797 2,808 0.333,809 2,828 2,829 1,832 2,835 1,859 1,862 2,868 14,888 2,893 11.1,896 2,901 7,902 3.5,903 3,904 1.042,907 2.195,908 1.354,909 1.072,910 1.637,911 8.4,912 3.178,913 3.818,914 4.519,915 5.128,916 5.44,917 5.879,918 6.147,919 6.419,920 6.489,921 6.5,922 0.25,923 23,924 5.204,925 0.002,926 2.395,927 0.026,929 8.048,931 9.709,932 0.001,933 8.47,936 2.548,937 35.667,938 0.004,941 47.084,942 116.161,945 50.29,947 62.555,948 53.606,949 97.374,953 34.251,954 60.557,955 6.371,956 26.259,957 86.098,959 47.084,960 53.606,961 50.29,962 62.555,964 47.084,965 50.29,969 53.606,971 62.555,972 47.084,973 50.29,974 116.161,977 47.084,978 81.91,979 34.251,981 50.29,982 47.084,983 50.29,984 116.161,986 0.598,987 0.388,988 0.221,989 0.103,990 15,991 6,994 2,995 1.333,996 2.577,997 100.361,998 0.333,999 12,1000 39.303,1001 2,1005 8.332,1006 2.751,1007 0.991,1009 50.29,1010 7.497,1014 2.677,1015 2.994,1018 213.535,1019 23,1024 23.212,1028 -0.713,1031 18.575,1032 19.089,1034 0.398,1035 0.707,1036 0.76,1037 0.76,1038 0.76,1039 0.76,1040 4.425,1041 0.272,1042 5.323,1043 1.61,1044 3.892,1045 4.5,1047 6.24,1048 3.806,1049 5.666,1050 -0.834,1051 6.952,1052 0.624,1053 3.611,1054 4.369,1056 7.338,1057 3.578,1058 7.005,1059 -1.231,1060 8.686,1061 -2.054,1062 5.58,1063 6.751,1065 10.519,1066 5.462,1067 8.388,1068 -1.355,1069 10.479,1070 -3.042,1071 6.176,1072 7.537,1074 12.424,1075 6.085,1076 9.808,1077 -1.574,1078 12.309,1079 -3.558,1080 7.609,1081 9.311,1083 15.133,1084 7.469,1085 11.254,1086 -1.618,1087 14.163,1088 -4.799,1089 8.558,1090 10.479,1092 17.351,1093 8.423,1094 12.717,1095 -1.846,1096 16.033,1097 -4.869,1098 9.821,1099 12.043,1101 19.91,1102 9.655,1103 3.325,1104 -2,1105 17.914,1106 -5.963,1107 10.915,1108 13.377,1110 22.266,1111 10.741,1112 2.521,1113 11.819,1114 19.804,1115 -6.314,1116 12.126,1117 14.869,1119 24.771,1120 11.93,1121 2.394,1122 8.453,1123 21.702,1124 4.35,1125 13.279,1126 16.275,1128 27.188,1129 13.07,1130 1.284,1131 7.898,1132 23.605,1133 3.52,1134 14.477,1135 17.744,1137 29.672,1138 14.249,1139 1.258,1140 3.117,1141 25.514,1142 3.108,1143 15.657,1144 19.182,1146 32.118,1147 15.412,1148 0.785,1149 3.08,1150 27.427,1151 1.837,1152 16.853,1153 20.646,1155 34.593,1156 16.59,1157 0.618,1158 1.998,1159 29.343,1160 1.79,1161 18.044,1162 22.099,1164 37.052,1165 17.764,1166 1206,1167 2460,1168 10.751,1169 15.727,1170 25.699,1171 27.052,1172 25.786,1173 24.92,1174 24.917,1175 34.313,1177 77.198,1178 23.572,1179 5.548,1180 5.881,1181 6.484,1182 5.438,1183 5.325,1184 7.116,1186 19.819,1187 5.264,1188 5.393,1189 1.606,1190 1.691,1191 1.612,1192 1.558,1193 1.557,1194 2.145,1196 4.825,1197 1.473,1198 4.056,1199 4.046,1200 4.346,1201 4.09,1202 7.497,1203 4.03,1204 3.606,1205 3.6,1206 4.1,1207 3.703,1208 7.352,1209 3.582,1210 3.322,1211 3.307,1212 3.343,1213 3.127,1214 4.727,1215 3.166,1216 2.622,1217 2.608,1218 2.879,1219 2.517,1220 4.397,1221 2.429,1222 2.445,1223 2.476,1224 2.586,1225 2.426,1226 3.288,1227 2.381,1228 2.081,1229 2.104,1230 2.372,1231 2.006,1232 3.079,1233 1.936,1234 2.05,1235 2.102,1236 2.119,1237 1.981,1238 2.984,1239 1.866,1240 1.831,1241 1.85,1242 1.682,1243 1.461,1244 2.584,1245 1.535,1246 0.292,1247 0.243,1248 0.437,1249 0.269,1250 0.208,1251 4.669,1252 0.272,1253 3.881,1255 6.988,1256 0.739,1257 4.307,1258 0.204,1259 3.325,1260 4.35,1262 11.819,1263 3.264,1264 1.792,1265 1.799,1266 1.815,1267 1.861,1268 1.018,1269 1.847,1270 1.441,1271 1.44,1272 1.429,1273 1.517,1274 0.631,1275 1.55,1276 1.331,1277 1.328,1278 1.425,1279 1.382,1280 0.572,1281 1.449,1282 1.001,1283 1.011,1284 0.849,1285 1.026,1286 0.265,1287 1.058,1288 0.767,1289 0.799,1290 0.756,1291 0.901,1293 0.92,1296 0.346,1297 0.38,1299 0.343,1302 0.211,1303 0.027,1305 0.109,1312 3.497,1314 4.86,1315 3.045,1316 6.431,1317 5.283,1318 8.11,1319 7.322,1320 9.85,1340 14.857,1341 29.839,1342 53.059,1343 57.059,1344 57.059,1345 57.059,1346 57.059,1347 21.113,1348 6.205,1349 34.14,1350 90.62,1351 16,1352 12.278,1353 3.7,1354 3,1355 17.932,1356 29,1357 14,1358 0.381,1359 97.204,1360 161.44,1361 228.937,1362 3054,1364 9.707,1365 0.693,1366 0.613,1367 10.414,1368 8.575,1369 6.788,1370 0.424,1371 0.362,1372 4.158,1373 5.718,1374 3.912,1375 3.184,1376 7.696,1377 5.791,1378 6.235,1379 0.26,1380 0.201,1381 7.349,1382 4.817,1383 5.98,1384 0.166,1385 0.113,1386 7.396,1387 4.066,1388 5.183,1389 0.104,1390 0.066,1391 6.757,1392 3.29,1393 3.671,1394 0.064,1395 0.036,1396 4.853,1397 2.028,1398 0.529,1399 50.963,1400 0.305,1401 13.347,1402 1.277,1403 80,1404 265.192,1405 128.772,1406 296.404,1407 398.16,1408 276,1409 100,1410 254.073,1411 145.958,1412 286.469,1413 428.91,1414 270,1415 4}
{0 CHEMBL398406,1 1.547,2 9.385,3 4.66,4 21.719,5 104.766,6 7.988,7 0.214,8 4.044,9 4.161,10 3.674,11 3.567,12 5.019,13 3.519,14 4.65,15 4.842,16 4.097,17 3.986,18 5.545,19 3.913,20 4.886,21 5.102,22 4.282,23 4.138,24 5.853,25 4.039,26 4.945,27 5.165,28 4.298,29 4.127,30 5.93,31 4.029,32 4.905,33 5.112,34 4.296,35 4.142,36 5.87,37 4.028,38 4.954,39 5.178,40 4.391,41 4.216,42 5.869,43 4.059,44 4.999,45 5.257,46 4.165,47 4.181,48 5.851,49 3.997,50 4.924,51 5.171,52 4.092,53 4.099,54 5.799,55 3.904,56 0.008,57 0.725,58 11.12,59 5.363,60 7.257,61 7.086,62 0.273,63 1.201,64 25.425,65 9.154,66 23.037,67 12.272,68 0.378,69 1.457,70 37.538,71 11.454,72 37.071,73 15.514,74 0.488,75 1.49,76 49.501,77 11.396,78 51.079,79 15.333,80 0.522,81 1.431,82 39.153,83 11.613,84 49.665,85 15.218,86 0.418,87 1.497,88 52.995,89 13.607,90 45.334,91 17.782,92 0.457,93 1.478,94 57.221,95 14.711,96 51.367,97 19.197,98 0.466,99 1.341,100 57.529,101 13.946,102 50.939,103 17.719,104 37,105 40,106 0.262,107 0.517,108 0.716,109 0.803,110 0.809,111 0.816,112 3.305,113 1.087,114 -4.8,115 -4.72,116 -4.43,119 1,121 37.7,122 1,123 7,126 2,127 1,132 1,144 2,145 1,146 3,160 2,176 7,179 2,180 7,187 8,191 2,192 12,200 3,206 13,214 3,218 1,219 6,227 8,231 1,232 5,239 12,243 2,244 2,251 14,255 2,256 4,264 9,269 6,277 2,281 1018,282 17.67,283 17.67,284 17.67,285 17.67,286 17.67,287 16.619,288 20.66,289 10.293,290 18.275,291 13.601,292 13.601,293 13.601,294 13.601,295 13.601,296 11.739,297 25.918,298 4.582,299 14.455,300 4.181,301 2.672,302 1.496,303 0.986,304 0.948,305 0.911,306 3.98,311 1,312 1,313 510,314 3.536,317 147.49,318 87.815,325 1.26,326 25.979,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 55.75,338 244,339 4.718,340 4.2,341 7.718,342 4.567,343 3.594,344 4.07,345 2.021,346 14.285,347 3.497,348 4.373,349 3.352,350 6.345,351 3.953,352 3.014,353 3.922,354 1.358,355 9.705,356 2.81,357 3.792,358 3.038,359 6.174,360 3.571,361 2.63,362 3.098,363 0.86,364 9.002,365 2.469,366 3.641,367 2.883,368 5.761,369 3.28,370 2.365,371 2.779,372 0.86,373 7.623,374 2.145,375 3.197,376 2.809,377 5.145,378 2.83,379 1.856,380 2.311,381 0.69,382 5.447,383 1.8,384 3.059,385 2.266,386 4.638,387 2.65,388 1.727,389 2.189,390 0.239,391 4.84,392 1.532,393 2.478,394 1.964,395 4.08,396 2.386,397 1.398,398 1.455,400 3.101,401 1.378,402 2.425,403 1.535,404 3.733,405 2.318,406 1.34,407 1.411,409 2.663,410 1.304,411 2.169,412 1.442,413 3.618,414 1.899,415 1.048,416 1.133,418 2.378,419 0.825,420 1.808,421 1.216,422 3.585,423 1.618,424 0.618,425 0.618,427 1.464,428 0.618,429 1.618,430 1.031,431 3.153,432 1.494,433 0.513,434 0.595,436 1.098,437 0.494,438 1.48,439 0.63,440 2.941,441 1.222,442 0.366,443 0.395,445 0.498,446 0.306,447 1.348,448 0.618,449 2.782,450 1.139,451 0.182,452 0.2,454 0.309,455 0.171,456 1.157,457 0.479,458 2.668,459 0.789,460 -0.089,461 -0.105,463 -0.172,464 -0.064,465 0.753,466 -0.016,467 2.4,468 0.394,469 -0.522,470 -0.571,472 -1.326,473 -0.425,474 13.133,475 0.505,476 0.631,477 0.024,478 26.5,479 1.019,480 10,481 0.385,482 16.5,483 0.635,484 30.741,485 1.182,486 29.467,487 0.556,488 17.059,489 0.656,490 4.477,491 0.172,492 8.064,493 0.31,494 0.241,495 0.038,496 0.259,501 0.752,502 1.479,503 0.533,504 1.086,505 0.583,506 1.069,507 0.989,508 1.073,509 0.558,510 0.802,511 0.678,512 0.851,513 0.853,514 1.163,515 0.794,516 0.94,517 0.877,518 0.937,519 1.324,520 1.07,521 1.129,522 1.045,523 1.685,524 0.988,525 1.36,526 0.996,527 0.809,528 0.883,529 1.585,530 0.987,531 0.823,532 1.088,533 1.328,534 1.182,535 1.082,536 1.122,537 0.671,538 0.943,539 1.312,540 1.087,541 0.851,542 1.009,543 0.835,544 1.003,545 1.599,546 1.236,547 0.896,548 1.129,549 6,550 0.085,551 3.778,552 2.611,553 1.854,554 1.063,555 0.736,556 0.497,557 0.371,558 0.162,559 6804,560 16851,561 2.005,562 50.9,563 11,564 10,568 2,569 4,572 1.698,573 1.846,574 3.2,575 -0.76,582 82.004,583 1.547,584 3.056,585 4.232,586 4.742,587 4.78,588 4.817,589 2.59,590 4.393,591 4.67,592 3.329,593 1081.81,594 8.133,595 13232.4,597 1,600 303.58,601 1.648,602 4.606,603 0.214,604 0.008,605 0.094,606 0.061,607 0.046,608 0.028,609 0.02,610 0.015,611 0.013,612 0.009,613 0.507,614 0.33,615 1,616 1.359,617 125.022,618 0.004,619 -0.223,620 0.012,621 -0.089,622 0.015,623 -0.028,624 0.006,625 0.051,626 0.055,627 0.122,628 0.031,629 0.124,630 0.106,631 -0.076,632 0.041,633 0.01,634 0.11,635 0.034,636 -0.119,637 0.003,638 -0.033,639 -0.064,640 -0.161,641 -0.037,642 -0.141,643 0.067,644 0.026,645 0.063,646 -0.143,647 -0.032,648 0.025,649 -0.053,650 -0.003,651 -0.086,652 0.013,653 -0.095,654 0.117,655 0.009,656 -0.037,657 -0.016,658 0.094,659 0.015,660 0.075,661 -0.062,662 -0.1,663 -0.107,664 0.043,665 -0.095,666 1.744,667 6.236,668 0.577,669 21.385,670 0.998,671 1.13,672 3.574,673 12.773,674 0.653,675 3.367,676 3.714,677 4.043,678 4.317,679 4.511,680 4.605,681 4.673,682 4.754,683 4.779,684 4.771,685 5.659,686 0.605,687 423.39,688 3.367,689 4.92,690 5.796,691 6.703,692 7.607,693 8.525,694 9.439,695 10.361,696 11.28,697 12.205,698 3.8,705 1,707 1,715 2,720 4,722 6,739 2,740 1,741 53,743 8,744 1,745 28,746 1,747 55,748 20,749 6,750 4,751 2,756 3,757 3,763 1,767 4,768 1,770 7,772 8,773 12,774 1,777 2,782 1,785 1,786 2,790 1,793 27,794 5,796 6,797 1,802 2,804 1,808 0.667,809 3,828 2,829 1,844 1,859 2,863 1,864 3,868 26,876 8,878 2,881 1,882 1,892 1,893 5.7,896 1,898 2,901 14.083,902 10.46,903 5.986,904 3.565,907 1.501,908 1.213,909 0.931,910 6.29,911 8.561,912 3.526,913 4.052,914 4.588,915 5.055,916 5.481,917 5.648,918 5.774,919 6.025,920 6.295,921 6.465,922 1,923 43,924 9.7,926 4.077,927 0.026,929 7.615,931 18.944,933 15.7,936 2.115,937 55,940 1,941 317.82,942 93.151,943 65.864,945 47.145,948 139.105,949 364.964,950 19.91,951 30.591,952 22.972,953 18.952,954 32.177,955 55.513,957 317.82,958 45.954,959 317.82,960 113.061,961 47.145,963 45.954,964 270.735,965 94.229,968 48.582,969 64.479,971 45.954,972 317.82,973 67.055,974 139.105,977 317.82,978 43.608,979 52.668,980 45.954,981 63.93,982 317.82,983 67.055,984 139.105,986 0.573,987 0.361,988 0.2,989 0.109,990 19,991 9,992 0.127,993 7,995 1.067,996 3.601,997 222.732,999 16,1000 118.211,1005 19.69,1006 8.305,1007 3.823,1009 67.055,1010 3.83,1015 3.239,1018 523.98,1019 33,1024 13.236,1027 4.943,1028 1.114,1031 52.901,1032 59.864,1034 0.27,1035 0.534,1036 0.739,1037 0.828,1038 0.834,1039 0.841,1040 4.808,1041 1.34,1042 5.826,1043 3.101,1044 4.394,1045 4.736,1046 2.704,1047 6.746,1048 4.282,1049 6.012,1050 1.048,1051 7.463,1052 2.663,1053 4.205,1054 4.691,1055 1.912,1056 8.12,1057 4.031,1058 7.353,1059 0.618,1060 9.219,1061 2.378,1062 6.133,1063 6.866,1064 3.411,1065 11.22,1066 5.941,1067 8.737,1068 0.513,1069 11.049,1070 1.464,1071 6.815,1072 7.631,1073 3.412,1074 13.445,1075 6.58,1076 10.159,1077 0.366,1078 12.928,1079 1.098,1080 8.252,1081 9.327,1082 4.499,1083 16.183,1084 7.999,1085 11.605,1086 0.182,1087 14.842,1088 0.498,1089 9.286,1090 10.424,1091 4.859,1092 18.698,1093 9.005,1094 13.07,1095 -0.089,1096 16.783,1097 0.309,1098 10.58,1099 11.95,1100 5.765,1101 21.363,1102 10.281,1103 3.594,1104 -0.522,1105 18.743,1106 -0.172,1107 11.751,1108 13.194,1109 6.291,1110 23.974,1111 11.43,1112 3.014,1113 14.285,1114 20.72,1115 -1.326,1116 13.012,1117 14.649,1118 7.105,1119 26.629,1120 12.671,1121 2.63,1122 9.705,1123 22.709,1124 4.07,1125 14.237,1126 15.964,1127 7.714,1128 29.27,1129 13.876,1130 2.365,1131 9.002,1132 24.709,1133 3.922,1134 15.494,1135 17.387,1136 8.479,1137 31.926,1138 15.113,1139 1.856,1140 7.623,1141 26.716,1142 3.098,1143 16.744,1144 18.737,1145 9.132,1146 34.578,1147 16.341,1148 1.727,1149 5.447,1150 28.731,1151 2.779,1152 18.005,1153 20.144,1154 9.869,1155 37.235,1156 17.581,1157 1.398,1158 4.84,1159 30.751,1160 2.311,1161 19.266,1162 21.513,1163 10.545,1164 39.892,1165 18.82,1166 6838,1167 10922,1168 18.087,1169 34.625,1170 41.568,1171 43.064,1172 45.211,1173 41.527,1174 41.299,1175 48.352,1176 12.055,1177 124.825,1178 38.697,1179 5.699,1180 6.2,1181 7.578,1182 5.623,1183 5.594,1184 7.07,1185 3.519,1186 22.259,1187 5.497,1188 14.498,1189 1.485,1190 1.538,1191 1.615,1192 1.483,1193 1.475,1194 1.727,1195 0.431,1196 4.458,1197 1.382,1198 4.033,1199 4.072,1200 6.88,1201 3.923,1202 7.427,1203 3.923,1204 3.898,1205 3.915,1206 3.958,1207 3.815,1208 4.928,1209 3.813,1210 3.679,1211 3.747,1212 3.785,1213 3.552,1214 4.649,1215 3.533,1216 3.497,1217 3.563,1218 3.516,1219 3.298,1220 4.496,1221 3.306,1222 3.276,1223 3.333,1224 3.353,1225 3.069,1226 4.32,1227 3.066,1228 3.248,1229 3.313,1230 3.09,1231 2.97,1232 4.143,1233 2.968,1234 3.106,1235 3.186,1236 3.028,1237 2.897,1238 4.03,1239 2.885,1240 2.949,1241 3.025,1242 2.916,1243 2.789,1244 3.679,1245 2.76,1246 0.168,1247 0.15,1248 0.276,1249 0.163,1250 0.128,1251 4.718,1252 0.145,1253 4.2,1254 0.072,1255 7.718,1256 0.51,1257 4.567,1258 0.125,1259 3.594,1260 4.07,1261 2.021,1262 14.285,1263 3.497,1264 1.898,1265 1.886,1266 1.986,1267 1.997,1268 1.281,1269 1.994,1270 1.727,1271 1.666,1272 1.943,1273 1.895,1274 1.211,1275 1.922,1276 1.62,1277 1.581,1278 1.86,1279 1.786,1280 1.191,1281 1.793,1282 1.577,1283 1.507,1284 1.793,1285 1.751,1286 1.148,1287 1.785,1288 1.408,1289 1.344,1290 1.644,1291 1.656,1292 0.816,1293 1.653,1294 1.219,1295 1.153,1296 1.576,1297 1.523,1298 0.672,1299 1.539,1300 1.191,1301 1.116,1302 1.561,1303 1.478,1304 0.574,1305 1.51,1306 1.063,1307 0.973,1308 1.392,1309 1.317,1310 0.537,1311 1.354,1312 4.043,1314 5.38,1315 3.045,1316 6.925,1317 5.476,1318 8.569,1319 7.644,1320 10.269,1321 3.613,1322 5.406,1328 7.434,1330 10.783,1333 1.896,1334 -0.494,1340 32.061,1341 82.004,1342 161.974,1343 224.296,1344 251.315,1345 253.315,1346 255.315,1347 54.785,1348 7.06,1349 51.13,1350 51.13,1351 16,1352 12.711,1353 3.17,1354 2.585,1355 44.014,1356 86,1357 93,1358 0.251,1359 203.291,1360 361.03,1361 487.791,1362 9088,1363 1.9,1364 18.734,1365 0.721,1366 0.669,1367 19.734,1368 17.395,1369 12.541,1370 0.448,1371 0.362,1372 9.265,1373 11.487,1374 8.913,1375 7.431,1376 13.119,1377 10.148,1378 10.91,1379 0.273,1380 0.198,1381 11.651,1382 7.915,1383 9.785,1384 0.175,1385 0.109,1386 10.492,1387 6.102,1388 7.994,1389 0.108,1390 0.059,1391 8.569,1392 4.334,1393 6.287,1394 0.07,1395 0.033,1396 6.978,1397 2.954,1398 0.382,1399 87.345,1400 0.235,1401 24.573,1402 0.728,1403 136,1404 385.151,1405 215.032,1406 397.02,1407 531.29,1408 372,1409 164,1410 360.799,1411 212.909,1412 377.139,1413 558.53,1414 352,1415 7.084}
{0 CHEMBL402484,1 1.399,2 7,3 3.306,4 10.93,5 80.413,6 7.226,7 0.522,8 3.733,9 3.834,10 3.305,11 3.302,12 4.755,13 3.281,14 4.301,15 4.464,16 3.68,17 3.725,18 5.231,19 3.693,20 4.46,21 4.617,22 3.794,23 3.906,24 5.401,25 3.842,26 4.578,27 4.764,28 3.72,29 3.932,30 5.459,31 3.836,32 4.618,33 4.843,34 3.478,35 3.803,36 5.448,37 3.669,38 4.411,39 4.656,40 3.234,41 3.544,42 5.212,43 3.397,44 4.25,45 4.53,46 2.954,47 3.215,48 5.013,49 3.078,50 3.898,51 4.148,52 2.423,53 2.924,54 4.687,55 2.759,56 0.013,57 0.495,58 7.883,59 3.644,60 6.402,61 4.619,62 0.182,63 0.854,64 15.75,65 6.043,66 15.338,67 7.718,68 0.2,69 1.008,70 17.824,71 7.663,72 16.643,73 10.068,74 0.113,75 1.118,76 20.582,77 8.745,78 16.629,79 11.651,80 0.286,81 1.098,82 23.191,83 9.015,84 24.951,85 12.004,86 0.185,87 0.883,88 18.989,89 7.499,90 19.174,91 10.226,92 0.186,93 0.731,94 17.163,95 5.953,96 17.901,97 8.159,98 0.204,99 0.509,100 11.947,101 4.054,102 16.228,103 5.293,104 9,105 34,106 0.253,107 0.57,108 0.752,109 0.818,110 0.828,111 0.838,112 3.061,113 0.905,114 -4.07,115 -4.02,116 -3.8,121 45.9,123 1,126 2,127 2,144 5,145 4,146 3,176 9,180 6,187 10,191 1,192 8,200 10,206 5,214 9,218 1,219 2,227 6,231 1,232 3,239 1,244 5,256 1,281 376,282 14.05,283 14.05,284 14.05,285 14.05,286 14.05,287 12.661,288 19.015,289 7.989,290 14.488,291 11.246,292 11.246,293 11.246,294 11.246,295 11.246,296 8.92,297 25.549,298 3.603,299 11.768,300 3.81,301 2.061,302 1.057,303 0.689,304 0.635,305 0.581,306 3.763,310 1,311 1,312 1,313 314,314 2.449,317 26.538,318 90.166,321 92.5,322 100.246,323 57.226,325 1,326 10.363,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 42.5,338 140,339 4.641,340 3.515,341 6.992,342 4.309,343 3.331,344 4.331,345 0.916,346 11.945,347 3.26,348 4.253,349 3.194,350 6.336,351 3.863,352 2.904,353 3.872,354 0.86,355 9.661,356 2.79,357 3.754,358 2.711,359 5.952,360 3.416,361 2.452,362 3.127,363 0.86,364 8.258,365 2.347,366 3.406,367 2.429,368 5.385,369 3.145,370 2.183,371 2.616,372 0.172,373 6.76,374 2.098,375 3.101,376 2.186,377 5.024,378 2.76,379 1.792,380 2.28,382 5.555,383 1.731,384 2.919,385 1.987,386 4.526,387 2.527,388 1.591,389 2.063,391 4.432,392 1.484,393 2.596,394 1.371,395 3.889,396 2.214,397 1.238,398 1.622,400 2.896,401 1.202,402 2.079,403 1.172,404 3.718,405 1.915,406 0.965,407 1.045,409 2.392,410 0.91,411 1.816,412 1.022,413 3.259,414 1.555,415 0.62,416 0.723,418 1.356,419 0.575,420 1.491,421 0.836,422 2.9,423 1.233,424 0.381,425 0.411,427 0.53,428 0.321,429 1.145,430 0.32,431 2.682,432 0.88,433 -0.067,434 -0.078,436 -0.143,437 -0.063,438 0.923,439 -0.056,440 2.548,441 0.591,442 -0.366,443 -0.436,445 -0.944,446 -0.346,447 0.667,448 -0.425,449 2.396,450 0.304,451 -0.658,452 -0.824,454 -1.546,455 -0.626,456 0.577,457 -0.615,458 2.291,459 0.128,460 -0.843,461 -1.091,463 -2.361,464 -0.809,465 0.223,466 -0.803,467 2,468 -0.096,469 -1.061,470 -1.314,472 -2.92,473 -1.016,474 9.567,475 0.478,476 0.445,477 0.022,478 26.75,479 1.338,480 13.5,481 0.675,482 13.25,483 0.663,484 14.743,485 0.737,486 21.033,487 0.568,488 16.989,489 0.849,490 5.329,491 0.266,492 4.484,493 0.224,494 0.105,496 0.408,501 0.854,502 1.247,503 0.77,504 1.087,505 0.781,506 0.943,507 1.431,508 0.796,509 0.871,510 0.672,511 1.137,512 0.685,513 0.751,514 1.093,515 0.929,516 1.035,517 0.687,518 1.008,519 0.831,520 1.192,521 1.06,522 1.189,523 0.867,524 1.157,525 1.161,526 1.017,527 1.164,528 1.075,529 1.276,530 1.118,531 0.861,532 1.097,533 1.017,534 1.145,535 0.983,536 1.116,537 1.292,538 0.887,539 0.935,540 0.895,541 1.13,542 0.868,543 1.905,544 0.829,545 1.427,546 0.912,547 1.818,548 1.075,549 3.5,551 2.444,552 1.597,553 1.483,554 0.604,555 0.41,556 0.227,557 0.116,558 0.016,559 3460,560 7782,561 2.195,562 45.9,564 15,569 2,572 1.625,573 2.069,574 2.832,575 -0.836,577 1,579 1,582 51.776,583 1.399,584 3.149,585 4.152,586 4.52,587 4.574,588 4.628,589 2.228,590 4.122,591 4.296,592 2.89,593 549.187,594 7.374,595 5294.53,596 1,597 1,598 1,599 1,600 192.75,601 1.361,602 4.262,603 0.152,605 0.072,606 0.043,607 0.045,608 0.025,609 0.023,610 0.017,611 0.017,612 0.016,613 0.41,614 1,615 1,616 0.88,617 85.129,618 0.015,619 -0.166,620 0.094,621 -0.077,622 0.055,623 0.002,624 -0.194,625 0.275,626 0.088,627 0.293,628 -0.094,629 0.241,630 0.11,631 -0.052,632 -0.027,633 -0.041,634 0.134,635 -0.049,636 -0.047,637 -0.181,638 -0.146,639 -0.202,640 -0.053,641 -0.188,642 -0.072,643 -0.064,644 -0.179,645 -0.105,646 -0.192,647 -0.151,648 0.085,649 -0.172,650 -0.031,651 -0.171,652 0.019,653 -0.128,654 -0.039,655 0.035,656 0.127,657 0.043,658 0.066,659 0.101,660 -0.372,661 0.112,662 -0.366,663 0.019,664 -0.418,665 -0.141,666 0.865,667 1.951,668 0.8,669 11.58,670 0.995,671 1.115,672 2.839,673 8.057,674 0.676,675 3.178,676 3.555,677 3.951,678 4.317,679 4.625,680 4.812,681 5.03,682 5.226,683 5.308,684 5.293,685 4.251,686 0.64,687 267.35,688 3.178,689 4.745,690 5.652,691 6.578,692 7.504,693 8.437,694 9.368,695 10.304,696 11.238,697 12.174,698 2.7,704 1,715 5,720 7,722 12,736 1,739 2,741 37,743 12,744 2,745 23,747 40,748 17,749 12,750 7,751 5,756 4,757 12,767 1,770 1,772 12,773 5,789 1,790 1,793 17,794 3,796 3,802 1,808 0.25,809 2,828 1,829 3,832 2,833 2,834 1,859 1,864 2,868 20,876 3,878 2,881 1,893 5.4,898 2,901 9.667,902 7.45,903 4.417,904 2.201,907 2.514,908 1.335,909 1.03,910 2.672,911 10.014,912 3.401,913 4.043,914 4.71,915 5.341,916 5.944,917 6.304,918 6.753,919 7.173,920 7.52,921 7.759,922 0.8,923 37,924 7.387,926 3.171,927 0.026,929 7.458,931 14.598,933 12.504,936 1.958,937 39.167,938 0.002,941 200.109,942 101.879,943 3.124,945 22,948 101.879,949 222.109,950 3.124,951 21.766,952 6.746,953 47.381,955 51.11,957 200.109,959 200.109,960 105.004,961 22,964 176.567,965 45.542,968 6.746,969 98.258,972 200.109,973 25.124,974 101.879,977 200.109,978 32.732,979 72.272,981 22,982 200.109,983 25.124,984 101.879,986 0.584,987 0.375,988 0.222,989 0.123,990 20,991 8,992 0.05,993 2,994 4,995 1.438,996 3.161,997 169.824,998 0.5,999 15,1000 84.439,1005 12.095,1006 4.419,1007 1.679,1009 25.124,1010 10.83,1015 8.393,1018 327.112,1019 29,1031 36.825,1032 41.239,1034 0.269,1035 0.604,1036 0.797,1037 0.868,1038 0.878,1039 0.888,1040 4.673,1041 0.965,1042 5.659,1043 2.896,1044 4.234,1045 4.727,1046 1.698,1047 6.564,1048 4.159,1049 5.89,1050 0.62,1051 7.27,1052 2.392,1053 3.892,1054 4.62,1055 0.325,1056 7.621,1057 3.793,1058 7.226,1059 0.381,1060 8.981,1061 1.356,1062 5.911,1063 6.967,1064 1.422,1065 10.782,1066 5.782,1067 8.6,1068 -0.067,1069 10.75,1070 0.53,1071 6.415,1072 7.683,1073 0.393,1074 12.664,1075 6.259,1076 10.009,1077 -0.366,1078 12.557,1079 -0.143,1080 7.895,1081 9.512,1082 1.2,1083 15.35,1084 7.721,1085 11.44,1086 -0.658,1087 14.389,1088 -0.944,1089 8.781,1090 10.602,1091 0.384,1092 17.572,1093 8.58,1094 12.89,1095 -0.843,1096 16.239,1097 -1.546,1098 10.063,1099 12.221,1100 1.01,1101 20.106,1102 9.846,1103 3.331,1104 -1.061,1105 18.104,1106 -2.361,1107 11.119,1108 13.491,1109 0.351,1110 22.471,1111 10.878,1112 2.904,1113 11.945,1114 19.979,1115 -2.92,1116 12.331,1117 15.017,1118 0.845,1119 24.958,1120 12.074,1121 2.452,1122 9.661,1123 21.864,1124 4.331,1125 13.461,1126 16.376,1127 0.312,1128 27.384,1129 13.182,1130 2.183,1131 8.258,1132 23.756,1133 3.872,1134 14.651,1135 17.861,1136 0.702,1137 29.857,1138 14.355,1139 1.792,1140 6.76,1141 25.655,1142 3.127,1143 15.814,1144 19.265,1145 0.273,1146 32.31,1147 15.498,1148 1.591,1149 5.555,1150 27.56,1151 2.616,1152 17.001,1153 20.731,1154 0.579,1155 34.782,1156 16.666,1157 1.238,1158 4.432,1159 29.469,1160 2.28,1161 18.18,1162 22.159,1163 0.236,1164 37.248,1165 17.825,1166 3307,1167 5029,1168 15.72,1169 25.006,1170 34.895,1171 35.748,1172 36.946,1173 34.83,1174 34.913,1175 44.181,1176 5.618,1177 107.572,1178 33.439,1179 5.551,1180 5.515,1181 6.534,1182 5.35,1183 5.331,1184 7.331,1185 1.776,1186 19.53,1187 5.26,1188 7.685,1189 1.517,1190 1.554,1191 1.606,1192 1.514,1193 1.518,1194 1.921,1195 0.244,1196 4.677,1197 1.454,1198 4.11,1199 4.136,1200 4.069,1201 4.044,1202 4.949,1203 4.047,1204 3.801,1205 3.819,1206 3.749,1207 3.717,1208 4.72,1209 3.72,1210 3.434,1211 3.498,1212 3.308,1213 3.292,1214 4.496,1215 3.286,1216 3.308,1217 3.36,1218 3.176,1219 3.104,1220 4.239,1221 3.116,1222 3.245,1223 3.312,1224 3.049,1225 2.953,1226 4.057,1227 2.96,1228 2.977,1229 3.071,1230 2.746,1231 2.781,1232 3.607,1233 2.757,1234 2.866,1235 2.924,1236 2.718,1237 2.753,1238 3.574,1239 2.735,1240 2.571,1241 2.657,1242 2.375,1243 2.429,1244 3.199,1245 2.406,1246 0.202,1247 0.153,1248 0.304,1249 0.187,1250 0.145,1251 4.641,1252 0.188,1253 3.515,1254 0.04,1255 6.992,1256 0.519,1257 4.309,1258 0.142,1259 3.331,1260 4.331,1261 0.916,1262 11.945,1263 3.26,1264 2.021,1265 2.005,1266 2.089,1267 2.095,1268 1.31,1269 2.094,1270 1.76,1271 1.738,1272 1.895,1273 1.862,1274 1.153,1275 1.873,1276 1.485,1277 1.425,1278 1.708,1279 1.715,1280 0.882,1281 1.715,1282 1.217,1283 1.153,1284 1.576,1285 1.524,1286 0.648,1287 1.54,1288 1.187,1289 1.112,1290 1.548,1291 1.456,1292 0.574,1293 1.49,1294 1.081,1295 1.002,1296 1.377,1297 1.295,1298 0.541,1299 1.329,1300 0.87,1301 0.816,1302 1.1,1303 1.016,1304 0.25,1305 1.049,1306 0.772,1307 0.708,1308 1.053,1309 0.953,1310 0.214,1311 0.99,1312 3.85,1314 5.209,1315 2.398,1316 6.795,1317 4.727,1318 8.488,1319 6.862,1320 10.239,1322 3.379,1328 3.214,1330 10.88,1333 2.471,1340 23.665,1341 51.776,1342 116.511,1343 153.63,1344 167.24,1345 169.24,1346 171.24,1347 19.673,1348 7.5,1349 21.7,1350 21.7,1351 23,1352 12.672,1353 3.7,1354 2.807,1355 25.976,1356 53,1357 49,1358 0.264,1359 141.489,1360 244.16,1361 336.993,1362 16222,1364 13.69,1365 0.684,1366 0.589,1367 13.69,1368 11.772,1369 9.813,1370 0.427,1371 0.302,1372 6.825,1373 9.413,1374 6.596,1375 5.452,1376 9.813,1377 6.937,1378 8.737,1379 0.257,1380 0.157,1381 8.737,1382 5.349,1383 8.26,1384 0.162,1385 0.085,1386 8.26,1387 4.348,1388 7.491,1389 0.101,1390 0.046,1391 7.491,1392 3.417,1393 6.427,1394 0.064,1395 0.025,1396 6.427,1397 2.532,1398 0.387,1399 61.685,1400 0.252,1401 19.056,1402 0.81,1403 114,1404 295.116,1405 122.172,1406 280.774,1407 399.25,1408 268,1409 142,1410 301.908,1411 151.421,1412 310.042,1413 460.9,1414 290,1415 5.412}
{0 CHEMBL403260,1 1.363,2 25.846,3 8.397,4 70.506,5 213.176,6 6.428,7 0.436,8 4.74,9 4.874,10 4.168,11 4.259,12 5.737,13 4.205,14 5.301,15 5.506,16 4.447,17 4.627,18 6.216,19 4.537,20 5.566,21 5.805,22 4.528,23 4.791,24 6.43,25 4.673,26 5.674,27 5.926,28 4.508,29 4.844,30 6.524,31 4.7,32 5.735,33 6.003,34 4.485,35 4.871,36 6.559,37 4.709,38 5.744,39 6.019,40 4.41,41 4.841,42 6.533,43 4.67,44 5.684,45 5.959,46 4.314,47 4.789,48 6.457,49 4.601,50 5.648,51 5.945,52 4.275,53 4.714,54 6.406,55 4.525,56 0.104,57 1.504,58 25.893,59 10.745,60 16.602,61 15.071,62 0.469,63 2.393,64 46.449,65 17.062,66 43.765,67 24.698,68 0.519,69 2.956,70 60.514,71 21.825,72 60.521,73 31.846,74 0.695,75 3.176,76 67.521,77 24.599,78 76.729,79 35.729,80 0.585,81 3.308,82 71.283,83 26.455,84 83.385,85 38.505,86 0.699,87 3.268,88 72.375,89 26.065,90 84.675,91 38.026,92 0.745,93 3.087,94 67.927,95 25.475,96 77.092,97 36.844,98 0.47,99 2.918,100 64.953,101 24.428,102 65.005,103 35.828,104 53,105 70,106 0.195,107 0.46,108 0.653,109 0.74,110 0.745,111 0.745,112 3.972,113 1.031,114 -6.31,115 -6.15,116 -5.71,121 40,122 2,123 8,126 2,127 6,144 16,145 4,146 4,160 2,176 23,180 12,183 2,185 6,187 24,192 10,197 6,200 18,205 2,206 14,211 4,214 18,219 10,224 4,227 20,232 6,237 4,239 24,243 2,244 4,247 2,249 4,251 26,256 6,264 20,269 14,273 1,274 4,277 18,281 8616,282 35.808,283 35.808,284 35.808,285 35.808,286 35.808,287 32.611,288 42.214,289 21.882,290 36.496,291 26.938,292 26.938,293 26.938,294 26.938,295 26.938,296 22.073,297 53.278,298 10.118,299 27.757,300 5.418,301 3.567,302 2.219,303 1.609,304 1.573,305 1.573,306 4.666,313 2812,314 5.831,318 942.732,325 4.704,326 35.764,329 0.5,330 0.5,331 0.5,332 0.8,333 1,334 0.5,335 0.5,336 0.61,337 110,338 1344,339 4.272,340 3.591,341 6.159,342 3.894,343 2.898,344 3.926,345 1.907,346 9.118,347 2.886,348 4.206,349 3.59,350 6.159,351 3.84,352 2.875,353 3.805,354 1.907,355 9.118,356 2.773,357 4.206,358 3.188,359 6.15,360 3.84,361 2.875,362 3.805,363 0.916,364 9.085,365 2.773,366 3.963,367 3.188,368 5.497,369 3.605,370 2.625,371 3.476,372 0.916,373 7.429,374 2.567,375 3.794,376 2.892,377 5.449,378 3.498,379 2.509,380 3.091,381 0.86,382 7.273,383 2.475,384 3.538,385 2.729,386 5.284,387 3.305,388 2.38,389 2.759,390 0.86,391 6.713,392 2.214,393 3.432,394 2.729,395 5.284,396 3.303,397 2.379,398 2.609,399 0.172,400 6.713,401 2.196,402 3.428,403 2.538,404 4.852,405 3.176,406 2.16,407 2.466,408 0.172,409 5.605,410 2.169,411 3.388,412 2.346,413 4.791,414 3.039,415 2.032,416 2.466,417 0.149,418 5.419,419 2.035,420 2.917,421 1.959,422 4.316,423 2.614,424 1.627,425 2.088,426 0.149,427 4.052,428 1.605,429 2.917,430 1.959,431 4.316,432 2.592,433 1.604,434 2.088,436 4.036,437 1.583,438 2.871,439 1.694,440 4.306,441 2.479,442 1.525,443 2.011,445 4.013,446 1.445,447 2.844,448 1.693,449 3.679,450 2.473,451 1.514,452 1.953,454 3.225,455 1.441,456 2.841,457 1.519,458 3.674,459 2.424,460 1.429,461 1.952,463 3.204,464 1.42,465 2.599,466 1.505,467 3.613,468 2.405,469 1.41,470 1.593,472 3.006,473 1.401,474 24.933,475 0.479,476 0.844,477 0.016,478 60.5,479 1.163,480 29,481 0.558,482 31.5,483 0.606,484 57.011,485 1.096,486 58.467,487 0.532,488 51.915,489 0.998,490 11.816,491 0.227,492 13.598,493 0.262,494 0.107,496 0.233,501 0.805,502 1.397,503 0.953,504 1.227,505 0.605,506 1.12,507 1.061,508 1.134,509 1.035,510 1.042,511 0.638,512 1.03,513 1.106,514 1.068,515 1.033,516 1.017,517 1.025,518 1.009,519 1.056,520 1.055,521 1.064,522 1.047,523 0.956,524 1.054,525 0.933,526 1.039,527 1,528 1.035,529 1.114,530 1.026,531 1.118,532 0.964,533 1.052,534 0.978,535 1.099,536 1.003,537 0.896,538 0.987,539 1.067,540 1.049,541 0.866,542 1.078,543 0.669,544 0.98,545 0.858,546 0.984,547 0.735,548 0.948,549 9,550 0.33,551 4.444,552 2.5,553 2.249,554 1.292,555 0.847,556 0.604,557 0.369,558 0.314,559 73791,560 161041,561 2.027,562 52.7,563 8,564 34,567 2,568 4,569 10,572 1.851,573 1.926,574 4.588,575 -0.007,582 149.972,583 1.363,584 3.214,585 4.563,586 5.172,587 5.208,588 5.208,589 3.979,590 4.547,591 5.67,592 4.882,593 6473.01,594 10.038,595 170084,600 745.95,601 1.248,602 5.644,603 0.164,604 0.006,605 0.063,606 0.034,607 0.032,608 0.019,609 0.014,610 0.011,611 0.007,612 0.006,613 0.356,614 0.17,615 0.63,616 0.754,617 335.85,618 0.01,619 -0.144,620 0.049,621 -0.062,622 0.006,623 -0.012,624 -0.003,625 0.006,626 -0.017,627 0.004,628 0.058,629 -0.006,630 -0.081,631 0.001,632 -0.026,633 -0.008,634 -0.035,635 -0.008,636 -0.026,637 -0.031,638 -0.065,639 -0.047,640 -0.01,641 -0.059,642 -0.037,643 -0.05,644 -0.02,645 -0.04,646 -0.033,647 -0.029,648 -0.097,649 0.009,650 -0.06,651 -0.004,652 -0.087,653 -0.024,654 0.011,655 -0.018,656 -0.089,657 -0.06,658 -0.043,659 -0.086,660 0.057,661 -0.047,662 0.097,663 -0.005,664 0.058,665 0.043,666 1.624,667 5.601,668 0.462,669 120.592,670 0.987,671 1.128,672 5.084,673 25.851,674 0.64,675 4.025,676 4.263,677 4.466,678 4.635,679 4.796,680 4.762,681 4.812,682 4.844,683 4.844,684 4.89,685 15.359,686 0.592,687 707.06,688 4.025,689 5.525,690 6.333,691 7.163,692 7.984,693 8.819,694 9.645,695 10.481,696 11.311,697 12.149,698 3.6,701 2,705 2,715 16,720 8,722 24,739 2,741 110,743 26,744 4,745 55,747 113,748 44,749 24,750 8,751 16,756 4,757 4,763 2,770 8,772 26,773 18,777 2,782 2,786 2,793 58,794 8,795 2,796 8,802 4,808 1,809 4,829 4,843 2,855 2,859 4,864 4,868 52,876 14,877 2,878 2,881 2,893 3.6,896 2,898 2,901 27,902 20.4,903 12.167,904 7.149,907 3.938,908 1.457,909 0.947,910 17.899,911 12.556,912 4.248,913 4.727,914 5.193,915 5.672,916 6.155,917 6.205,918 6.513,919 6.786,920 6.979,921 7.227,922 0.941,923 74,924 19.299,926 7.759,927 0.026,929 7.571,931 37.823,933 29.984,936 2.071,937 107.667,941 659.182,942 262.099,943 42.27,945 72.29,948 262.099,949 731.471,950 42.27,951 39.417,952 68.932,953 151.62,954 59.699,955 56.991,957 659.182,959 659.182,960 304.369,961 72.29,964 541.471,965 190.001,968 92.831,969 211.538,972 659.182,973 114.56,974 262.099,977 659.182,978 71.062,979 197.285,980 36.022,981 72.29,982 659.182,983 114.56,984 262.099,986 0.554,987 0.323,988 0.17,989 0.09,990 24,991 12,992 0.204,993 23,995 1,996 6.337,997 482.739,999 24,1000 236.423,1005 40.766,1006 22.831,1007 14.161,1009 114.56,1010 32.171,1015 7.958,1017 36.022,1018 1035.84,1019 69,1024 25.203,1028 0.086,1031 108.574,1032 124.041,1034 0.201,1035 0.474,1036 0.673,1037 0.763,1038 0.768,1039 0.768,1040 5.447,1041 2.16,1042 6.263,1043 6.713,1044 4.949,1045 5.416,1046 2.948,1047 6.971,1048 4.895,1049 6.589,1050 2.032,1051 7.757,1052 5.605,1053 4.29,1054 4.977,1055 2.262,1056 7.678,1057 4.206,1058 7.846,1059 1.627,1060 9.347,1061 5.419,1062 6.444,1063 7.457,1064 3.679,1065 10.714,1066 6.337,1067 9.136,1068 1.604,1069 10.996,1070 4.052,1071 6.635,1072 7.848,1073 3.724,1074 12.265,1075 6.49,1076 10.459,1077 1.525,1078 12.684,1079 4.036,1080 8.185,1081 9.789,1082 4.748,1083 14.778,1084 8.027,1085 11.804,1086 1.514,1087 14.4,1088 4.013,1089 8.788,1090 10.585,1091 5.102,1092 16.686,1093 8.593,1094 13.165,1095 1.429,1096 16.134,1097 3.225,1098 10.068,1099 12.275,1100 5.947,1101 19.008,1102 9.863,1103 2.898,1104 1.41,1105 17.883,1106 3.204,1107 10.885,1108 13.293,1109 6.442,1110 21.076,1111 10.646,1112 2.875,1113 9.118,1114 19.643,1115 3.006,1116 12.037,1117 14.845,1118 7.195,1119 23.325,1120 11.787,1121 2.875,1122 9.118,1123 21.411,1124 3.926,1125 12.965,1126 15.992,1127 7.761,1128 25.466,1129 12.686,1130 2.625,1131 9.085,1132 23.187,1133 3.805,1134 14.059,1135 17.463,1136 8.464,1137 27.687,1138 13.766,1139 2.509,1140 7.429,1141 24.969,1142 3.805,1143 15.044,1144 18.687,1145 9.068,1146 29.862,1147 14.726,1148 2.38,1149 7.273,1150 26.756,1151 3.476,1152 16.112,1153 20.109,1154 9.744,1155 32.073,1156 15.778,1157 2.379,1158 6.713,1159 28.546,1160 3.091,1161 17.128,1162 21.381,1163 10.367,1164 34.265,1165 16.772,1166 71021,1167 105142,1168 36.75,1169 70.399,1170 77.754,1171 79.924,1172 80.787,1173 77.469,1174 77.546,1175 96.996,1176 16.019,1177 204.301,1178 75.474,1179 5.234,1180 5.591,1181 5.934,1182 4.923,1183 4.898,1184 6.926,1185 3.306,1186 15.307,1187 4.886,1188 27.222,1189 1.414,1190 1.453,1191 1.469,1192 1.409,1193 1.41,1194 1.764,1195 0.291,1196 3.715,1197 1.372,1198 4.04,1199 4.072,1200 3.979,1201 3.972,1202 7.431,1203 3.97,1204 3.951,1205 3.982,1206 3.886,1207 3.872,1208 7.427,1209 3.871,1210 3.925,1211 3.957,1212 3.861,1213 3.845,1214 4.888,1215 3.844,1216 3.821,1217 3.863,1218 3.75,1219 3.711,1220 4.847,1221 3.714,1222 3.767,1223 3.82,1224 3.638,1225 3.636,1226 4.828,1227 3.626,1228 3.725,1229 3.782,1230 3.593,1231 3.601,1232 4.621,1233 3.589,1234 3.607,1235 3.673,1236 3.489,1237 3.416,1238 4.394,1239 3.421,1240 3.582,1241 3.648,1242 3.451,1243 3.404,1244 4.392,1245 3.405,1246 0.078,1247 0.065,1248 0.112,1249 0.071,1250 0.053,1251 4.272,1252 0.071,1253 3.591,1254 0.035,1255 6.159,1256 0.166,1257 3.894,1258 0.052,1259 2.898,1260 3.926,1261 1.907,1262 9.118,1263 2.886,1264 1.992,1265 1.969,1266 2.086,1267 2.07,1268 1.361,1269 2.076,1270 1.913,1271 1.887,1272 2.048,1273 2.032,1274 1.361,1275 2.038,1276 1.913,1277 1.887,1278 2.046,1279 2.03,1280 1.205,1281 2.037,1282 1.799,1283 1.76,1284 1.987,1285 1.951,1286 1.195,1287 1.961,1288 1.758,1289 1.7,1290 1.98,1291 1.919,1292 1.186,1293 1.942,1294 1.731,1295 1.678,1296 1.89,1297 1.874,1298 1.036,1299 1.884,1300 1.58,1301 1.51,1302 1.842,1303 1.795,1304 1.031,1305 1.811,1306 1.57,1307 1.499,1308 1.834,1309 1.767,1310 0.965,1311 1.793,1312 4.71,1314 5.969,1316 7.414,1318 8.943,1320 10.516,1322 7.793,1328 12.545,1329 6.073,1330 11.005,1333 4.832,1340 65.168,1341 149.972,1342 353.563,1343 501.91,1344 568.93,1345 572.93,1346 572.93,1347 133.819,1348 8.618,1349 83.14,1350 83.14,1351 24,1352 12.718,1353 4.755,1354 3.907,1355 112.688,1356 486,1357 392,1358 0.106,1359 405.438,1360 718.92,1361 981.03,1362 109587,1364 36.97,1365 0.711,1366 0.609,1367 36.97,1368 31.665,1369 25.414,1370 0.462,1371 0.344,1372 18.698,1373 24.613,1374 18.132,1375 15.217,1376 25.414,1377 18.906,1378 20.965,1379 0.3,1380 0.189,1381 20.965,1382 13.234,1383 17.148,1384 0.199,1385 0.11,1386 17.148,1387 9.494,1388 13.468,1389 0.132,1390 0.063,1391 13.468,1392 6.381,1393 10.467,1394 0.087,1395 0.036,1396 10.467,1397 4.298,1398 0.182,1399 157.911,1400 0.165,1401 46.922,1402 0.255,1403 250,1404 648.898,1405 268.456,1406 626.664,1407 850.62,1408 590,1409 281,1410 607.096,1411 298.962,1412 621.274,1413 890.58,1414 582,1415 7.44}
{0 CHEMBL40583,1 0.987,2 7.429,3 5.642,4 31.834,5 88.73,6 7.253,7 0.84,8 3.715,9 3.814,10 3.309,11 3.469,12 4.705,13 3.408,14 4.259,15 4.398,16 3.725,17 3.927,18 5.176,19 3.85,20 4.515,21 4.685,22 3.823,23 4.095,24 5.392,25 3.993,26 4.583,27 4.764,28 3.736,29 4.096,30 5.433,31 3.966,32 4.617,33 4.858,34 3.443,35 3.954,36 5.361,37 3.772,38 4.368,39 4.641,40 3.19,41 3.66,42 5.084,43 3.483,44 4.056,45 4.295,46 2.892,47 3.398,48 4.828,49 3.218,50 3.846,51 4.131,52 2.347,53 3.03,54 4.516,55 2.794,56 0.029,57 0.371,58 7.216,59 3.299,60 5.886,61 4.667,62 0.054,63 0.682,64 13.283,65 6.073,66 8.956,67 8.591,68 0.072,69 0.921,70 17.923,71 8.194,72 12.62,73 11.592,74 0.079,75 1.001,76 19.48,77 8.906,78 14.133,79 12.6,80 0.088,81 1.124,82 21.885,83 10.006,84 16.659,85 14.155,86 0.072,87 0.914,88 17.781,89 8.13,90 14.118,91 11.501,92 0.05,93 0.636,94 12.375,95 5.658,96 10.617,97 8.004,98 0.043,99 0.547,100 10.646,101 4.867,102 9.203,103 6.886,104 2,105 38,106 0.174,107 0.446,108 0.627,109 0.772,110 0.855,111 0.874,112 3.107,113 0.922,114 -7.08,115 -6.88,116 -6.36,121 56.8,122 1,123 2,144 9,145 9,176 25,187 38,200 41,214 36,227 25,239 20,251 14,264 7,277 3,281 390,282 14.723,283 14.723,284 14.723,285 14.723,286 14.723,287 12.33,288 6.566,289 8.385,290 14.723,291 12.358,292 12.358,293 12.358,294 12.358,295 12.358,296 8.667,297 5.021,298 3.963,299 12.358,300 4.223,301 2.675,302 1.646,303 0.821,304 0.345,305 0.237,306 3.829,312 1,313 364,314 2.121,317 20.838,318 107.086,321 76.653,322 131.07,323 48.13,325 1.211,326 5.066,329 0.75,330 0.5,331 0.83,332 0.4,334 0.83,335 1,336 0.62,337 42,338 156,339 4.839,340 3.481,341 7.084,342 4.386,343 3.386,344 4.928,346 12.272,347 3.386,348 4.478,349 3.073,350 6.639,351 4.015,352 3.015,353 4.394,355 10.62,356 3.015,357 3.943,358 2.638,359 6.009,360 3.506,361 2.506,362 3.584,364 8.413,365 2.506,366 3.653,367 2.301,368 5.558,369 3.218,370 2.218,371 3.147,373 7.026,374 2.218,375 3.452,376 2.095,377 5.32,378 3.008,379 2.008,380 2.863,382 6.35,383 2.008,384 3.146,385 1.746,386 4.623,387 2.681,388 1.681,389 2.448,391 4.585,392 1.681,393 2.916,394 1.524,395 4.22,396 2.441,397 1.441,398 2.114,400 3.469,401 1.441,402 2.547,403 1.286,404 3.734,405 2.132,406 1.132,407 1.566,409 2.883,410 1.132,411 2.367,412 1.067,413 3.634,414 1.967,415 0.967,416 1.311,418 2.477,419 0.967,420 2.058,421 0.896,422 3.53,423 1.831,424 0.831,425 1.003,427 2.038,428 0.831,429 1.649,430 0.461,431 3.019,432 1.286,433 0.286,434 0.375,436 0.707,437 0.286,438 1.297,439 -0.107,440 2.887,441 0.829,442 -0.171,443 -0.247,445 -0.47,446 -0.171,447 1.015,448 -0.409,449 2.537,450 0.557,451 -0.443,452 -0.634,454 -1.119,455 -0.443,456 0.686,457 -0.683,458 2.344,459 0.228,460 -0.772,461 -1.06,463 -1.995,464 -0.772,465 0.539,466 -0.827,467 2.237,468 0.134,469 -0.866,470 -1.198,472 -2.461,473 -0.866,474 10.5,475 0.5,476 0.518,477 0.025,478 30.5,479 1.452,480 18,481 0.857,482 12.5,483 0.595,484 15.226,485 0.725,486 19.5,487 0.527,488 18.299,489 0.871,490 5.703,491 0.272,492 4.623,493 0.22,494 0.048,496 0.429,501 0.774,502 0.774,503 0.774,504 0.774,505 0.922,506 0.774,507 0.798,508 0.798,509 0.798,510 0.798,511 0.741,512 0.798,513 0.928,514 0.928,515 0.928,516 0.928,517 0.83,518 0.928,519 1.138,520 1.138,521 1.138,522 1.138,523 1.115,524 1.138,525 1.141,526 1.141,527 1.141,528 1.141,529 1.085,530 1.141,531 0.884,532 0.884,533 0.884,534 0.884,535 0.863,536 0.884,537 1.156,538 1.156,539 1.156,540 1.156,541 1.228,542 1.156,543 1.133,544 1.133,545 1.133,546 1.133,547 1.239,548 1.133,549 3,550 0.012,551 2.889,552 1.465,553 1.707,554 0.601,555 0.342,556 0.165,557 0.106,558 0.03,559 4280,560 7945,561 2.302,562 43.2,563 7,564 9,572 1.637,573 2.211,574 2.89,575 -0.985,582 36.511,583 0.987,584 2.534,585 3.564,586 4.389,587 4.865,588 4.973,589 2.489,590 4.107,591 4.368,592 2.945,593 618.453,594 7.51,595 6038.13,600 192.75,601 1.222,602 4.348,603 0.12,604 0.012,605 0.076,606 0.036,607 0.047,608 0.024,609 0.017,610 0.012,611 0.015,612 0.01,613 0.37,614 0.83,615 0.63,616 0.418,617 90.76,618 0.074,619 0.074,620 0.074,621 0.074,622 -0.03,623 0.074,624 0.09,625 0.09,626 0.09,627 0.09,628 0.076,629 0.09,630 -0.01,631 -0.01,632 -0.01,633 -0.01,634 0.033,635 -0.01,636 -0.212,637 -0.212,638 -0.212,639 -0.212,640 -0.192,641 -0.212,642 -0.148,643 -0.148,644 -0.148,645 -0.148,646 -0.104,647 -0.148,648 0.149,649 0.149,650 0.149,651 0.149,652 0.165,653 0.149,654 -0.165,655 -0.165,656 -0.165,657 -0.165,658 -0.158,659 -0.165,660 -0.088,661 -0.088,662 -0.088,663 -0.088,664 -0.134,665 -0.088,666 0.332,667 0.394,668 0.952,669 11.32,670 0.975,671 1.09,672 5.848,673 34.194,674 0.732,675 3.258,676 3.664,677 4.078,678 4.466,679 4.804,680 5.004,681 5.252,682 5.501,683 5.652,684 5.694,685 4.334,686 0.681,687 268.37,688 3.258,689 4.844,690 5.765,691 6.701,692 7.638,693 8.58,694 9.522,695 10.467,696 11.412,697 12.359,714 6,715 9,720 3,722 21,741 37,743 21,744 4,745 25,747 41,748 21,749 18,750 9,751 9,756 5,757 18,763 1,767 2,770 2,772 18,773 3,793 16,808 0.2,828 1,829 4,832 2,833 3,834 1,859 1,864 1,868 21,876 2,901 9.5,902 7.25,903 4.389,904 2.472,907 4.691,908 1.58,909 1.136,910 2.081,911 12.772,912 3.597,913 4.376,914 5.164,915 5.925,916 6.661,917 7.213,918 7.831,919 8.441,920 8.984,921 9.348,922 1,923 41,924 7.778,926 3.463,927 0.026,929 7.31,931 15.675,933 14.161,936 1.81,937 38,938 0.002,941 188.338,942 124.175,948 124.175,949 188.338,951 8.825,952 5.069,953 85.286,955 24.995,957 188.338,959 188.338,960 124.175,964 188.338,968 13.894,969 110.281,972 188.338,974 124.175,977 188.338,978 30.064,979 94.111,982 188.338,984 124.175,986 0.598,987 0.375,988 0.222,989 0.127,990 24,991 9,994 5,995 1.45,996 3.308,997 191.286,998 0.5,999 19,1000 92.239,1005 11.336,1006 3.856,1007 1.398,1008 8.506,1010 20.289,1015 4.575,1018 312.513,1019 35.5,1031 36.069,1032 40.322,1034 0.189,1035 0.487,1036 0.684,1037 0.842,1038 0.934,1039 0.955,1040 4.854,1041 1.132,1042 5.778,1043 3.469,1044 4.344,1045 5.063,1047 6.698,1048 4.344,1049 6.124,1050 0.967,1051 7.397,1052 2.883,1053 4.007,1054 5.094,1056 7.784,1057 4.007,1058 7.488,1059 0.831,1060 9.119,1061 2.477,1062 6.033,1063 7.516,1065 10.973,1066 6.033,1067 8.896,1068 0.286,1069 10.902,1070 2.038,1071 6.553,1072 8.398,1074 12.896,1075 6.553,1076 10.337,1077 -0.171,1078 12.724,1079 0.707,1080 8.043,1081 10.287,1083 15.607,1084 8.043,1085 11.804,1086 -0.443,1087 14.572,1088 -0.47,1089 8.947,1090 11.553,1092 17.863,1093 8.947,1094 13.289,1095 -0.772,1096 16.439,1097 -1.119,1098 10.242,1099 13.24,1101 20.422,1102 10.242,1103 3.386,1104 -0.866,1105 18.32,1106 -1.995,1107 11.315,1108 14.681,1110 22.814,1111 11.315,1112 3.015,1113 12.272,1114 20.212,1115 -2.461,1116 12.541,1117 16.292,1119 25.323,1120 12.541,1121 2.506,1122 10.62,1123 22.113,1124 4.928,1125 13.687,1126 17.81,1128 27.772,1129 13.687,1130 2.218,1131 8.413,1132 24.021,1133 4.394,1134 14.892,1135 19.396,1137 30.267,1138 14.892,1139 2.008,1140 7.026,1141 25.934,1142 3.584,1143 16.071,1144 20.948,1146 32.741,1147 16.071,1148 1.681,1149 6.35,1150 27.853,1151 3.147,1152 17.272,1153 22.528,1155 35.234,1156 17.272,1157 1.441,1158 4.585,1159 29.776,1160 2.863,1161 18.465,1162 24.095,1164 37.72,1165 18.465,1166 3875,1167 5358,1168 17.512,1169 27.091,1170 38.857,1171 39.342,1172 39.901,1173 38.941,1174 38.941,1175 55.468,1177 121.678,1178 38.941,1179 5.655,1180 5.481,1181 6.767,1182 5.386,1183 5.386,1184 7.928,1186 20.014,1187 5.386,1188 5.513,1189 1.554,1190 1.574,1191 1.596,1192 1.558,1193 1.558,1194 2.219,1196 4.867,1197 1.558,1198 4.255,1199 4.269,1200 4.224,1201 4.233,1202 5.001,1203 4.229,1204 3.956,1205 3.979,1206 3.906,1207 3.921,1208 4.729,1209 3.915,1210 3.542,1211 3.58,1212 3.457,1213 3.481,1214 4.339,1215 3.471,1216 3.421,1217 3.473,1218 3.299,1219 3.334,1220 4.07,1221 3.32,1222 3.261,1223 3.319,1224 3.131,1225 3.168,1226 4.004,1227 3.153,1228 3.008,1229 3.076,1230 2.855,1231 2.897,1232 3.741,1233 2.879,1234 2.747,1235 2.814,1236 2.614,1237 2.651,1238 3.47,1239 2.635,1240 2.711,1241 2.779,1242 2.512,1243 2.575,1244 3.397,1245 2.549,1246 0.194,1247 0.139,1248 0.283,1249 0.175,1250 0.135,1251 4.839,1252 0.197,1253 3.481,1255 7.084,1256 0.491,1257 4.386,1258 0.135,1259 3.386,1260 4.928,1262 12.272,1263 3.386,1264 2.197,1265 2.186,1266 2.25,1267 2.228,1268 1.464,1269 2.236,1270 1.929,1271 1.91,1272 2.027,1273 1.985,1274 1.225,1275 2,1276 1.656,1277 1.62,1278 1.832,1279 1.759,1280 1.083,1281 1.786,1282 1.343,1283 1.292,1284 1.603,1285 1.492,1286 0.745,1287 1.533,1288 1.276,1289 1.215,1290 1.535,1291 1.436,1292 0.612,1293 1.474,1294 1.044,1295 1.002,1296 1.298,1297 1.197,1298 0.427,1299 1.235,1300 1.031,1301 0.974,1302 1.22,1303 1.141,1304 0.383,1305 1.17,1306 0.749,1307 0.673,1308 1.068,1309 0.943,1310 0.134,1311 0.99,1312 3.932,1314 5.313,1315 2.398,1316 6.919,1317 4.727,1318 8.631,1319 6.899,1320 10.399,1322 2.245,1328 2.386,1340 25.214,1341 36.511,1342 93.775,1343 131.856,1344 162.385,1345 179.995,1346 183.995,1347 18.835,1348 8.081,1351 29,1352 12.85,1353 4.459,1354 3.524,1355 25.151,1356 58,1357 48,1358 0.237,1359 148.896,1360 242.7,1361 355.066,1362 34397,1364 13.974,1365 0.665,1366 0.577,1367 13.974,1368 12.11,1369 10.326,1370 0.413,1371 0.307,1372 7.683,1373 10.326,1374 7.431,1375 6.124,1376 10.326,1377 7.683,1378 9.646,1379 0.254,1380 0.163,1381 9.646,1382 6.196,1383 9.154,1384 0.158,1385 0.088,1386 9.154,1387 5.102,1388 8.436,1389 0.098,1390 0.047,1391 8.436,1392 4.083,1393 7.482,1394 0.062,1395 0.025,1396 7.482,1397 3.068,1398 0.348,1399 61.959,1400 0.239,1401 19.887,1402 0.726,1403 126,1404 234,1405 126,1406 244.965,1407 366.09,1408 234,1409 159,1410 293,1411 159,1412 306.897,1413 460.86,1414 293,1415 4.644}
{0 CHEMBL406645,1 1.21,2 17.927,3 9.757,4 95.199,5 174.526,6 5.687,7 0.273,8 4.624,9 4.768,10 3.943,11 4.148,12 5.471,13 4.062,14 5.246,15 5.466,16 4.273,17 4.594,18 5.976,19 4.465,20 5.64,21 5.899,22 4.47,23 4.872,24 6.307,25 4.711,26 5.832,27 6.117,28 4.45,29 4.978,30 6.446,31 4.778,32 5.904,33 6.205,34 4.444,35 5.001,36 6.513,37 4.787,38 5.906,39 6.207,40 4.299,41 4.942,42 6.569,43 4.705,44 5.819,45 6.151,46 4.094,47 4.771,48 6.413,49 4.517,50 5.586,51 5.905,52 3.863,53 4.576,54 6.183,55 4.323,56 0.135,57 1.342,58 25.223,59 10.536,60 15.881,61 15.092,62 0.275,63 2.276,64 44.595,65 17.65,66 30.696,67 25.935,68 0.406,69 3.136,70 63.687,71 25.185,72 42.606,73 36.975,74 0.484,75 3.639,76 75.135,77 29.461,78 49.985,79 43.617,80 0.515,81 3.769,82 79.451,83 31.312,84 50.712,85 46.126,86 0.689,87 3.611,88 79.3,89 30.937,90 76.187,91 45.102,92 0.545,93 3.137,94 70.619,95 27.191,96 59.573,97 39.836,98 0.439,99 2.529,100 56.349,101 22.049,102 49.865,103 32.107,104 21,105 59,106 0.179,107 0.377,108 0.543,109 0.68,110 0.723,111 0.749,112 3.741,113 1.161,114 -7.04,115 -6.84,116 -6.33,121 37.4,122 2,123 15,125 2,127 6,144 8,145 2,146 2,176 26,180 6,185 4,187 29,192 10,197 4,200 28,206 8,211 4,214 27,219 4,224 4,227 28,232 4,235 2,237 4,239 25,244 2,249 2,251 22,256 2,261 2,264 22,274 2,277 22,281 3420,282 28.119,283 28.119,284 28.119,285 28.119,286 28.119,287 26.644,288 28.972,289 16.978,290 28.408,291 21.558,292 21.558,293 21.558,294 21.558,295 21.558,296 19.435,297 32.214,298 7.865,299 22.057,300 5.419,301 4.083,302 2.964,303 2.036,304 1.748,305 1.571,306 4.437,313 1570,314 4.472,318 297.334,319 358.729,325 2.434,326 21.618,329 0.5,330 0.5,331 0.5,332 0.8,333 1,334 0.5,335 0.5,336 0.61,337 85,338 735,339 4.587,340 3.709,341 7.647,342 4.497,343 3.501,344 3.912,345 0.8,346 14.009,347 3.487,348 4.587,349 3.709,350 7.647,351 4.497,352 3.501,353 3.912,354 0.8,355 14.009,356 3.487,357 3.802,358 2.758,359 5.447,360 3.437,361 2.484,362 3.159,364 7.068,365 2.372,366 3.802,367 2.757,368 5.447,369 3.437,370 2.483,371 3.159,373 7.068,374 2.372,375 3.393,376 2.582,377 5.207,378 3.268,379 2.326,380 2.43,382 6.458,383 2.183,384 3.39,385 2.582,386 5.207,387 3.264,388 2.323,389 2.428,391 6.458,392 2.175,393 2.95,394 1.886,395 4.69,396 2.866,397 1.871,398 2.071,400 4.517,401 1.86,402 2.94,403 1.745,404 4.689,405 2.637,406 1.65,407 2.067,409 4.516,410 1.627,411 2.856,412 1.726,413 3.899,414 2.593,415 1.612,416 1.864,418 3.769,419 1.576,420 2.629,421 1.584,422 3.85,423 2.516,424 1.531,425 1.668,427 3.257,428 1.503,429 2.61,430 1.52,431 3.85,432 2.469,433 1.479,434 1.653,436 3.171,437 1.461,438 2.555,439 1.469,440 3.649,441 2.42,442 1.432,443 1.561,445 3.037,446 1.413,447 2.493,448 1.162,449 3.491,450 2.131,451 1.134,452 1.493,454 2.543,455 1.13,456 2.434,457 1.162,458 3.49,459 2.131,460 1.134,461 1.433,463 2.543,464 1.13,465 2.057,466 1.102,467 3.455,468 2.046,469 1.057,470 1.057,472 2.23,473 1.044,474 19.967,475 0.487,476 0.775,477 0.019,478 37,479 0.902,480 13,481 0.317,482 24,483 0.585,484 59.038,485 1.44,486 48.433,487 0.489,488 24.403,489 0.595,490 5.498,491 0.134,492 14.485,493 0.353,494 0.083,495 0.05,496 0.14,501 1.017,502 1.392,503 1.129,504 1.263,505 0.987,506 1.214,507 0.925,508 1.192,509 1.119,510 1.146,511 0.516,512 1.135,513 0.884,514 1.135,515 1.032,516 1.078,517 0.695,518 1.064,519 0.773,520 1.107,521 1.066,522 1.09,523 0.537,524 1.09,525 0.739,526 1.023,527 0.983,528 1.022,529 0.612,530 1.015,531 1.036,532 1.052,533 1.08,534 1.074,535 1.149,536 1.083,537 1.033,538 0.853,539 0.906,540 0.877,541 1.098,542 0.883,543 1.143,544 0.916,545 1.009,546 0.944,547 1.237,548 0.968,549 8.5,550 0.114,551 4.222,552 2.875,553 1.85,554 1.237,555 0.599,556 0.373,557 0.202,558 0.161,559 33830,560 58200,561 2.052,562 58.6,563 28,564 20,567 2,569 8,572 1.796,573 1.952,574 4.031,575 -0.008,582 119.794,583 1.21,584 2.547,585 3.666,586 4.593,587 4.882,588 5.059,589 3.37,590 4.284,591 5.34,592 4.3,593 3526.03,594 9.367,595 70551.2,600 656.306,601 1.299,602 5.294,603 0.193,604 0.004,605 0.072,606 0.041,607 0.028,608 0.019,609 0.012,610 0.009,611 0.006,612 0.005,613 0.389,614 0.33,615 0.63,616 0.671,617 241.651,618 -0.012,619 -0.065,620 0.042,621 0.014,622 -0.031,623 0.026,624 -0.042,625 0.012,626 -0.03,627 -0.018,628 0.091,629 -0.02,630 -0.014,631 -0.04,632 0.002,633 -0.015,634 0.029,635 -0.007,636 -0.032,637 -0.058,638 -0.069,639 -0.073,640 0.01,641 -0.072,642 0.004,643 -0.021,644 -0.009,645 -0.031,646 0.013,647 -0.021,648 0.014,649 -0.088,650 -0.098,651 -0.098,652 -0.038,653 -0.107,654 -0.014,655 0.046,656 0.039,657 0.044,658 -0.033,659 0.046,660 -0.083,661 0.002,662 -0.05,664 -0.093,665 -0.02,666 1.264,667 4.104,668 0.634,669 48.49,670 0.976,671 1.132,672 5.811,673 33.772,674 0.619,675 3.807,676 4.094,677 4.344,678 4.564,679 4.762,680 4.804,681 4.812,682 4.787,683 4.71,684 4.682,685 10.904,686 0.558,687 562.97,688 3.807,689 5.333,690 6.168,691 7.038,692 7.897,693 8.777,694 9.648,695 10.533,696 11.41,697 12.298,698 2,701 2,715 8,720 4,722 12,738 2,741 99,743 12,744 2,745 44,747 102,748 37,749 12,750 4,751 8,756 4,757 4,763 2,764 2,766 2,767 6,770 15,772 12,773 25,793 58,794 4,795 2,796 4,802 2,808 1,809 2,829 2,830 2,855 2,859 4,864 2,868 41,875 2,876 21,881 2,882 2,893 2,895 2,901 21,902 17.467,903 9.417,904 7.186,907 1.619,908 1.2,909 0.912,910 12.74,911 9.724,912 3.932,913 4.369,914 4.8,915 5.232,916 5.655,917 5.665,918 5.806,919 5.803,920 5.778,921 5.775,922 1,923 70,924 15.343,926 6.342,927 0.026,929 7.37,931 31.335,933 26.734,936 1.87,937 76.667,941 659.182,942 150.484,943 6.249,945 85.367,948 150.484,949 744.548,950 6.249,951 17.65,952 50.652,953 75.81,954 85.367,955 12.62,957 659.182,959 659.182,960 156.732,961 85.367,964 565.013,965 179.536,968 74.551,969 82.181,972 659.182,973 91.615,974 150.484,977 659.182,978 57.023,979 99.709,981 85.367,982 659.182,983 91.615,984 150.484,986 0.563,987 0.335,988 0.184,989 0.102,990 24,991 10,992 0.137,993 14,995 1,996 5.122,997 382.151,999 26,1000 179.66,1005 32.205,1006 16.219,1007 9.135,1009 91.615,1010 16.104,1015 3.457,1017 85.367,1018 901.281,1019 50,1031 96.599,1032 112.041,1034 0.183,1035 0.384,1036 0.553,1037 0.693,1038 0.736,1039 0.763,1040 5.182,1041 1.65,1042 6.159,1043 4.517,1044 4.779,1045 5.056,1046 1.072,1047 7.015,1048 4.735,1049 6.327,1050 1.612,1051 7.75,1052 4.516,1053 4.443,1054 4.745,1055 0.57,1056 8.461,1057 4.374,1058 7.623,1059 1.531,1060 9.478,1061 3.769,1062 6.46,1063 7.045,1064 0.653,1065 11.527,1066 6.389,1067 8.96,1068 1.479,1069 11.302,1070 3.257,1071 7.057,1072 7.588,1073 0.479,1074 13.866,1075 6.988,1076 10.344,1077 1.432,1078 13.195,1079 3.171,1080 8.543,1081 9.387,1082 0.432,1083 16.597,1084 8.47,1085 11.759,1086 1.134,1087 15.134,1088 3.037,1089 9.545,1090 10.317,1091 0.346,1092 19.165,1093 9.482,1094 13.199,1095 1.134,1096 17.104,1097 2.543,1098 10.86,1099 11.91,1100 0.291,1101 21.827,1102 10.795,1103 3.501,1104 1.057,1105 19.095,1106 2.543,1107 12.02,1108 13.029,1109 0.237,1110 24.449,1111 11.963,1112 3.501,1113 14.009,1114 21.1,1115 2.23,1116 13.286,1117 14.521,1118 0.195,1119 27.094,1120 13.227,1121 2.484,1122 14.009,1123 23.114,1124 3.912,1125 14.505,1126 15.742,1127 0.158,1128 29.729,1129 14.448,1130 2.483,1131 7.068,1132 25.135,1133 3.912,1134 15.758,1135 17.18,1136 0.129,1137 32.371,1138 15.7,1139 2.326,1140 7.068,1141 27.16,1142 3.159,1143 16.998,1144 18.458,1145 0.104,1146 35.009,1147 16.939,1148 2.323,1149 6.458,1150 29.188,1151 3.159,1152 18.249,1153 19.865,1154 0.084,1155 37.649,1156 18.188,1157 1.871,1158 6.458,1159 31.218,1160 2.43,1161 19.497,1162 21.178,1163 0.068,1164 40.289,1165 19.434,1166 32172,1167 42348,1168 29.466,1169 61.24,1170 62.795,1171 62.367,1172 67.894,1173 62.986,1174 62.795,1175 71.504,1176 3.2,1177 176.35,1178 61.363,1179 5.587,1180 5.709,1181 7.557,1182 5.522,1183 5.501,1184 6.912,1185 1.2,1186 21.514,1187 5.487,1188 18.625,1189 1.427,1190 1.417,1191 1.543,1192 1.432,1193 1.427,1194 1.625,1195 0.073,1196 4.008,1197 1.395,1198 4.046,1199 4.088,1200 3.963,1201 3.964,1202 6.473,1203 3.959,1204 3.981,1205 4.017,1206 3.909,1207 3.91,1208 6.468,1209 3.905,1210 3.815,1211 3.868,1212 3.691,1213 3.697,1214 4.659,1215 3.686,1216 3.773,1217 3.824,1218 3.661,1219 3.646,1220 4.626,1221 3.641,1222 3.72,1223 3.776,1224 3.573,1225 3.605,1226 4.343,1227 3.591,1228 3.593,1229 3.661,1230 3.425,1231 3.462,1232 4.303,1233 3.444,1234 3.48,1235 3.556,1236 3.304,1237 3.334,1238 4.16,1239 3.315,1240 3.46,1241 3.537,1242 3.266,1243 3.319,1244 4.052,1245 3.296,1246 0.104,1247 0.084,1248 0.174,1249 0.102,1250 0.08,1251 4.587,1252 0.089,1253 3.709,1254 0.018,1255 7.647,1256 0.318,1257 4.497,1258 0.079,1259 3.501,1260 3.912,1261 0.8,1262 14.009,1263 3.487,1264 1.961,1265 1.935,1266 2.094,1267 2.055,1268 1.45,1269 2.069,1270 1.961,1271 1.935,1272 2.091,1273 2.053,1274 1.444,1275 2.066,1276 1.817,1277 1.755,1278 2.057,1279 1.98,1280 1.419,1281 2.008,1282 1.727,1283 1.657,1284 1.969,1285 1.923,1286 1.317,1287 1.942,1288 1.685,1289 1.632,1290 1.923,1291 1.852,1292 1.254,1293 1.881,1294 1.678,1295 1.629,1296 1.887,1297 1.82,1298 1.179,1299 1.845,1300 1.634,1301 1.569,1302 1.853,1303 1.805,1304 1.012,1305 1.824,1306 1.533,1307 1.463,1308 1.817,1309 1.714,1310 0.968,1311 1.754,1312 4.489,1314 5.784,1316 7.276,1317 3.367,1318 8.867,1319 5.889,1320 10.516,1322 4.658,1327 20.208,1328 26.439,1333 5.434,1334 0.366,1340 55.223,1341 119.794,1342 252.115,1343 362.919,1344 454.739,1345 483.287,1346 500.797,1347 95.848,1348 8.105,1349 46.94,1350 46.94,1351 26,1352 12.831,1353 3.7,1354 2.807,1355 77.101,1356 284,1357 189,1358 0.129,1359 340.13,1360 601.16,1361 821.678,1362 52504,1364 28.97,1365 0.707,1366 0.64,1367 28.97,1368 26.257,1369 19.983,1370 0.454,1371 0.387,1372 16.929,1373 19.638,1374 16.466,1375 13.746,1376 19.983,1377 17.023,1378 17.053,1379 0.289,1380 0.226,1381 17.053,1382 13.31,1383 14.202,1384 0.187,1385 0.139,1386 14.202,1387 10.531,1388 11.563,1389 0.122,1390 0.082,1391 11.563,1392 7.835,1393 9.365,1394 0.081,1395 0.051,1396 9.365,1397 5.897,1398 0.217,1399 122.278,1400 0.184,1401 37.886,1402 0.32,1403 206,1404 377.59,1405 214.37,1406 376.793,1407 520.86,1408 354,1409 238,1410 382.286,1411 246.984,1412 394.574,1413 573.3,1414 372,1415 4.78}
{0 CHEMBL407320,1 1.53,2 13.148,3 3.609,4 13.023,5 106.568,6 6.773,7 0.379,8 4.087,9 4.222,10 3.566,11 3.568,12 5.109,13 3.53,14 4.666,15 4.858,16 3.855,17 3.97,18 5.771,19 3.888,20 4.942,21 5.213,22 3.87,23 4.101,24 5.71,25 3.981,26 4.939,27 5.2,28 3.824,29 4.07,30 5.791,31 3.952,32 4.903,33 5.157,34 3.743,35 4.074,36 5.727,37 3.937,38 4.939,39 5.202,40 3.627,41 4.067,42 5.747,43 3.891,44 4.923,45 5.218,46 3.452,47 3.963,48 5.61,49 3.76,50 4.798,51 5.104,52 3.321,53 3.756,54 5.532,55 3.565,56 0.176,57 0.802,58 12.931,59 5.098,60 9.788,61 7.278,62 0.453,63 1.262,64 24.155,65 8.527,66 65.105,67 12.635,68 0.279,69 1.527,70 32.424,71 10.448,72 31.121,73 16.504,74 0.459,75 1.497,76 32.792,77 9.914,78 46.766,79 15.615,80 0.383,81 1.454,82 31.256,83 10.483,84 40.984,85 15.794,86 0.402,87 1.428,88 32.445,89 11.401,90 49.767,91 17.075,92 0.288,93 1.32,94 32.173,95 11.006,96 38.401,97 16.853,98 0.326,99 1.114,100 28.928,101 8.837,102 42.777,103 13.957,104 16,105 37,106 0.255,107 0.549,108 0.73,109 0.847,110 0.889,111 0.889,112 3.339,113 1.022,114 -4.1,115 -4.04,116 -3.83,121 36.4,123 7,127 4,144 4,145 2,146 1,148 2,168 3,176 9,179 3,180 5,185 5,187 9,192 5,197 4,200 6,206 4,209 2,211 4,214 9,222 1,223 1,224 2,227 13,232 2,235 2,239 12,244 3,249 3,251 8,256 3,261 2,264 2,269 2,272 2,274 4,277 2,281 1323,282 18.64,283 18.64,284 18.64,285 18.64,286 18.64,287 16.963,288 21.075,289 11.823,290 18.883,291 14.403,292 14.403,293 14.403,294 14.403,295 14.403,296 11.82,297 23.059,298 5.716,299 14.797,300 4.251,301 2.481,302 1.395,303 0.691,304 0.436,305 0.436,306 4.03,310 1,311 1,312 1,313 759,314 3.937,318 188.88,322 217.029,325 1.984,326 22.243,328 1,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 59,338 355,339 4.64,340 4.674,341 6.829,342 4.207,343 3.226,344 4.564,345 4.929,346 11.348,347 3.162,348 3.914,349 3.361,350 5.982,351 3.524,352 2.532,353 3.437,354 0.4,355 8.37,356 2.512,357 3.828,358 2.669,359 5.381,360 3.211,361 2.236,362 3.333,363 0.4,364 6.711,365 2.178,366 3.522,367 2.357,368 4.659,369 3.135,370 2.182,371 2.893,372 0.341,373 5.184,374 2.079,375 2.942,376 2.217,377 4.116,378 2.845,379 1.882,380 2.142,382 3.824,383 1.811,384 2.907,385 2.034,386 3.984,387 2.588,388 1.615,389 1.912,391 3.438,392 1.567,393 2.683,394 1.761,395 3.853,396 2.507,397 1.517,398 1.701,400 3.329,401 1.501,402 2.575,403 1.548,404 3.645,405 2.345,406 1.347,407 1.589,409 3.168,410 1.343,411 2.488,412 1.444,413 3.594,414 2.242,415 1.247,416 1.487,418 2.902,419 1.24,420 2.3,421 1.35,422 3.496,423 2.194,424 1.243,425 1.287,427 2.636,428 1.177,429 1.997,430 1.325,431 3.176,432 1.842,433 0.89,434 0.958,436 1.978,437 0.843,438 1.721,439 1.029,440 2.891,441 1.532,442 0.577,443 0.638,445 1.239,446 0.548,447 1.393,448 1,449 2.724,450 1.149,451 0.207,452 0.232,454 0.457,455 0.194,456 1.103,457 0.69,458 2.404,459 0.851,460 -0.1,461 -0.115,463 -0.237,464 -0.095,465 1,466 0.317,467 2.337,468 0.538,469 -0.445,470 -0.497,472 -1.006,473 -0.432,474 12.6,475 0.467,476 0.418,477 0.015,478 30.5,479 1.13,480 13.5,481 0.5,482 17,483 0.63,484 24.658,485 0.913,486 31.2,487 0.567,488 20.156,489 0.747,490 5.597,491 0.207,492 7.657,493 0.284,494 0.053,496 0.23,501 0.482,502 1.292,503 0.862,504 1.173,505 0.481,506 1.094,507 0.555,508 1.246,509 0.979,510 1.163,511 0.287,512 1.14,513 0.603,514 1.053,515 0.828,516 0.939,517 0.345,518 0.912,519 0.876,520 0.958,521 1.022,522 0.924,523 0.745,524 0.975,525 0.807,526 0.931,527 1.097,528 1.04,529 0.749,530 1.098,531 0.65,532 1.042,533 1.085,534 1.16,535 0.653,536 1.196,537 0.567,538 1.02,539 0.951,540 1.103,541 0.504,542 1.097,543 0.771,544 0.972,545 0.91,546 0.967,547 0.753,548 0.965,549 3,550 0.078,551 2,552 1.313,553 1.2,554 0.438,555 0.3,556 0.161,557 0.123,558 0.097,559 10033,560 27756,561 2.079,562 50.9,563 6,564 12,567 2,568 2,569 4,570 2,572 1.693,573 2,574 3.573,575 0.267,577 1,582 84.175,583 1.53,584 3.3,585 4.386,586 5.09,587 5.345,588 5.345,589 2.982,590 4.236,591 4.718,592 3.854,593 1352.67,594 8.155,595 18936.6,597 1,599 1,600 317.975,601 1.117,602 4.711,603 0.103,604 0.005,605 0.054,606 0.035,607 0.034,608 0.014,609 0.011,610 0.007,611 0.006,612 0.005,613 0.275,614 0.33,615 0.88,616 2.391,617 138.324,618 0.258,619 0.048,620 0.064,621 0.037,622 0.059,623 0.013,624 0.27,625 -0.084,626 -0.034,627 -0.052,628 0.34,629 -0.085,630 -0.002,631 -0.024,632 0.105,633 0.071,634 0.033,635 0.103,636 -0.066,637 0.088,638 -0.058,639 0.054,640 -0.062,641 0.008,642 -0.083,643 0.127,644 -0.155,645 -0.019,646 -0.084,647 -0.086,648 0.018,649 -0.052,650 -0.158,651 -0.121,652 -0.012,653 -0.166,654 0.017,655 -0.109,656 -0.03,657 -0.098,658 0.001,659 -0.076,660 -0.013,661 -0.1,662 0.045,663 -0.02,664 -0.026,665 0.015,666 2.743,667 3.047,668 0.519,669 30.667,670 1,671 1.138,672 2.866,673 8.213,674 0.628,675 3.401,676 3.638,677 3.871,678 4.143,679 4.407,680 4.466,681 4.585,682 4.673,683 4.718,684 4.554,685 7.844,686 0.592,687 372.52,688 3.401,689 4.89,690 5.707,691 6.555,692 7.405,693 8.274,694 9.144,695 10.025,696 10.908,697 11.798,698 7.3,700 1,703 1,708 1,710 1,714 2,715 4,716 1,720 3,722 11,734 1,741 55,743 13,744 1,745 29,747 57,748 20,749 9,750 2,751 4,756 3,757 6,767 4,770 7,772 9,773 11,777 2,779 1,782 2,789 1,790 1,793 28,794 6,795 2,796 7,802 4,808 0.333,809 3,822 1,829 3,833 2,853 1,859 1,868 27,876 11,877 2,878 1,893 5.5,897 1,899 2,901 13.5,902 9.483,903 6.194,904 3.721,907 2.507,908 1.342,909 0.952,910 7.666,911 9.839,912 3.624,913 4.151,914 4.659,915 5.263,916 5.867,917 6.193,918 6.568,919 6.908,920 7.201,921 7.005,922 1,923 38,924 9.982,926 4.083,927 0.026,929 7.735,931 19.523,933 15.876,936 2.235,937 60.333,939 1,940 1,941 306.049,942 79.972,943 61.091,945 61.966,948 79.972,949 368.014,950 61.091,951 8.284,952 28.651,953 55.916,954 46.015,955 13.416,957 306.049,958 50.747,959 306.049,960 141.064,961 61.966,964 235.422,965 70.627,966 61.966,968 51.563,969 54.705,970 34.796,972 306.049,973 123.057,974 79.972,977 306.049,978 42.067,979 46.189,980 36.022,981 78.751,982 306.049,983 123.057,984 79.972,986 0.551,987 0.303,988 0.171,989 0.098,990 15,991 6,992 0.193,993 11,994 2,995 1.286,996 4.092,997 210.326,998 0.286,999 14,1000 126.382,1005 19.842,1006 10.431,1007 5.782,1008 2.307,1009 114.773,1010 8.393,1011 4.878,1015 3.949,1017 36.022,1018 509.078,1019 36.5,1021 -0.743,1024 20.094,1031 54.992,1032 62.604,1034 0.265,1035 0.571,1036 0.759,1037 0.88,1038 0.925,1039 0.925,1040 4.818,1041 1.347,1042 5.631,1043 3.329,1044 4.317,1045 4.836,1046 3.707,1047 6.382,1048 4.266,1049 5.969,1050 1.247,1051 7.136,1052 3.168,1053 3.611,1054 4.663,1055 4.354,1056 7.222,1057 3.561,1058 7.252,1059 1.243,1060 8.76,1061 2.902,1062 5.814,1063 7.032,1064 6.582,1065 10.398,1066 5.719,1067 8.581,1068 0.89,1069 10.462,1070 2.636,1071 6.043,1072 7.777,1073 7.826,1074 12.208,1075 5.947,1076 9.954,1077 0.577,1078 12.22,1079 1.978,1080 7.64,1081 9.615,1082 9.657,1083 14.885,1084 7.509,1085 11.359,1086 0.207,1087 14.018,1088 1.239,1089 8.36,1090 10.772,1091 11.105,1092 17.064,1093 8.222,1094 12.788,1095 -0.1,1096 15.843,1097 0.457,1098 9.691,1099 12.41,1100 12.798,1101 19.578,1102 9.528,1103 3.226,1104 -0.445,1105 17.688,1106 -0.237,1107 10.657,1108 13.758,1109 14.33,1110 21.902,1111 10.479,1112 2.532,1113 11.348,1114 19.549,1115 -1.006,1116 11.881,1117 15.319,1118 15.967,1119 24.361,1120 11.681,1121 2.236,1122 8.37,1123 21.42,1124 4.564,1125 12.961,1126 16.758,1127 17.535,1128 26.744,1129 12.743,1130 2.182,1131 6.711,1132 23.3,1133 3.437,1134 14.145,1135 18.29,1136 19.148,1137 29.184,1138 13.907,1139 1.882,1140 5.184,1141 25.187,1142 3.333,1143 15.276,1144 19.77,1145 20.731,1146 31.592,1147 15.017,1148 1.615,1149 3.824,1150 27.079,1151 2.893,1152 16.448,1153 21.292,1154 22.334,1155 34.024,1156 16.168,1157 1.517,1158 3.438,1159 28.975,1160 2.142,1161 17.6,1162 22.792,1163 23.924,1164 36.444,1165 17.3,1166 9837,1167 16543,1168 19.761,1169 34.523,1170 41.097,1171 44.274,1172 42.316,1173 41.359,1174 41.403,1175 52.346,1176 12.141,1177 109.168,1178 40.307,1179 5.601,1180 6.674,1181 6.754,1182 5.247,1183 5.226,1184 7.564,1185 8.199,1186 18.879,1187 5.162,1188 10.531,1189 1.417,1190 1.527,1191 1.459,1192 1.426,1193 1.428,1194 1.805,1195 0.419,1196 3.764,1197 1.39,1198 4.113,1199 4.144,1200 4.073,1201 4.04,1202 7.823,1203 4.044,1204 3.789,1205 3.845,1206 3.722,1207 3.651,1208 6.999,1209 3.638,1210 3.732,1211 3.78,1212 3.619,1213 3.582,1214 4.972,1215 3.576,1216 3.688,1217 3.733,1218 3.565,1219 3.426,1220 4.433,1221 3.43,1222 3.512,1223 3.576,1224 3.372,1225 3.184,1226 4.41,1227 3.194,1228 3.316,1229 3.388,1230 3.171,1231 3.027,1232 4.278,1233 3.111,1234 3.173,1235 3.247,1236 3.039,1237 2.964,1238 4.162,1239 2.982,1240 3.1,1241 3.184,1242 2.917,1243 2.874,1244 3.976,1245 2.896,1246 0.16,1247 0.161,1248 0.235,1249 0.145,1250 0.111,1251 4.64,1252 0.157,1253 4.674,1254 0.17,1255 6.829,1256 0.391,1257 4.207,1258 0.109,1259 3.226,1260 4.564,1261 4.929,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.435,1269 2.163,1270 1.754,1271 1.709,1272 1.979,1273 1.973,1274 1.3,1275 1.961,1276 1.731,1277 1.661,1278 1.948,1279 1.893,1280 1.174,1281 1.902,1282 1.594,1283 1.531,1284 1.857,1285 1.872,1286 1.138,1287 1.849,1288 1.334,1289 1.27,1290 1.587,1291 1.731,1292 0.81,1293 1.667,1294 1.21,1295 1.167,1296 1.455,1297 1.525,1298 0.747,1299 1.527,1300 1.137,1301 1.068,1302 1.414,1303 1.362,1304 0.606,1305 1.381,1306 1.088,1307 1.017,1308 1.307,1309 1.336,1310 0.481,1311 1.374,1312 4.078,1314 5.333,1316 6.795,1318 8.376,1320 10.036,1328 10.199,1329 6.974,1330 4.284,1340 32.552,1341 84.175,1342 181.503,1343 241.246,1344 279.975,1345 293.975,1346 293.975,1347 44.392,1348 7.331,1349 92,1350 92,1351 18,1352 12.33,1353 3.807,1354 3.087,1355 47.549,1356 123,1357 146,1358 0.18,1359 202.039,1360 350.21,1361 484.734,1362 16578,1364 18.899,1365 0.7,1366 0.582,1367 18.899,1368 15.707,1369 13.254,1370 0.457,1371 0.341,1372 9.746,1373 12.658,1374 9.612,1375 7.97,1376 13.254,1377 9.879,1378 11.116,1379 0.3,1380 0.187,1381 11.116,1382 6.931,1383 8.71,1384 0.185,1385 0.105,1386 8.71,1387 4.946,1388 7.313,1389 0.118,1390 0.058,1391 7.313,1392 3.624,1393 6.157,1394 0.076,1395 0.033,1396 6.157,1397 2.697,1398 0.296,1399 83.731,1400 0.225,1401 26.836,1402 0.459,1403 132,1404 397.163,1405 146.99,1406 375.974,1407 504.63,1408 350,1409 150,1410 373.387,1411 163.363,1412 366.569,1413 529.17,1414 345,1415 8.252}
{0 CHEMBL409610,1 1.479,2 6.5,3 0.611,4 0.373,5 83.512,6 7.056,7 0.24,8 3.889,9 3.989,10 3.412,11 3.374,12 4.923,13 3.365,14 4.492,15 4.649,16 3.852,17 3.849,18 5.462,19 3.832,20 4.825,21 4.98,22 4.099,23 4.14,24 5.848,25 4.096,26 5.046,27 5.25,28 4.127,29 4.212,30 6.055,31 4.14,32 5.011,33 5.225,34 3.862,35 4.096,36 5.96,37 3.991,38 4.854,39 5.101,40 3.572,41 3.849,42 5.847,43 3.703,44 4.628,45 4.902,46 3.071,47 3.462,48 5.593,49 3.28,50 4.311,51 4.65,52 2.117,53 2.943,54 5.106,55 2.662,56 0.062,57 0.593,58 9.978,59 4.373,60 14.132,61 5.525,62 0.259,63 1.019,64 19.698,65 7.349,66 27.078,67 9.576,68 0.417,69 1.379,70 27.54,71 10.862,72 44.989,73 14.144,74 0.59,75 1.607,76 35.946,77 12.87,78 65.931,79 17.523,80 0.634,81 1.493,82 35.574,83 11.901,84 64.231,85 16.205,86 0.636,87 1.229,88 30.879,89 10.218,90 71.711,91 14.531,92 0.587,93 0.9,94 25.644,95 7.64,96 59.941,97 11.05,98 0.424,99 0.606,100 19.557,101 5.138,102 47.129,103 7.963,104 18,105 39,106 0.262,107 0.621,108 0.865,109 0.898,110 0.898,111 0.898,112 3.151,113 0.92,114 -2.37,115 -2.41,116 -2.36,121 39.5,123 1,125 1,126 2,127 2,129 3,137 2,144 2,145 2,146 2,176 6,180 5,185 3,187 7,191 1,192 8,195 1,197 3,200 6,206 6,209 2,211 4,214 4,218 1,219 4,224 2,227 4,231 1,232 1,235 1,236 1,237 2,239 1,247 2,249 2,281 514,282 14.805,283 14.805,284 14.805,285 14.805,286 14.805,287 13.961,288 23.361,289 8.224,290 15.244,291 12.238,292 12.238,293 12.238,294 12.238,295 12.238,296 10.778,297 34.215,298 3.761,299 12.894,300 3.947,301 1.921,302 0.547,303 0.361,304 0.361,305 0.361,306 3.844,311 1,312 1,313 312,314 2.828,317 21.82,318 63.261,319 35.707,321 89.731,322 49.597,323 58.374,324 63.894,325 0.818,326 27.441,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 48.5,338 143,339 4.918,340 4.135,341 8.296,342 4.781,343 3.799,344 4.371,345 0.916,346 16.525,347 3.731,348 4.137,349 3.134,350 6.554,351 3.808,352 2.844,353 3.469,354 0.86,355 10.066,356 2.741,357 3.685,358 2.935,359 5.82,360 3.471,361 2.536,362 2.942,363 0.86,364 7.846,365 2.363,366 3.385,367 2.742,368 5.498,369 3.233,370 2.28,371 2.447,372 0.765,373 6.617,374 2.165,375 3.282,376 2.481,377 5.238,378 3.082,379 2.141,380 2.353,381 0.68,382 6.347,383 2.002,384 2.976,385 2.336,386 4.883,387 2.712,388 1.8,389 2.044,390 0.172,391 5.175,392 1.632,393 2.796,394 1.804,395 4.641,396 2.453,397 1.485,398 1.818,400 4.392,401 1.432,402 2.415,403 1.678,404 4.375,405 2.176,406 1.243,407 1.359,409 3.362,410 1.151,411 1.973,412 1.153,413 3.795,414 1.63,415 0.732,416 0.854,418 1.651,419 0.65,420 1.709,421 0.903,422 3.159,423 1.406,424 0.472,425 0.555,427 1.041,428 0.436,429 1.133,430 0.412,431 2.981,432 0.911,433 -0.018,434 -0.02,436 -0.038,437 -0.017,438 0.959,439 0.18,440 2.85,441 0.697,442 -0.219,443 -0.244,445 -0.538,446 -0.199,447 0.543,448 -0.095,449 2.743,450 0.345,451 -0.554,452 -0.571,454 -1.298,455 -0.491,456 0.521,457 -0.214,458 2.392,459 0.279,460 -0.666,461 -0.719,463 -1.859,464 -0.617,465 0.318,466 -0.444,467 2.28,468 0.107,469 -0.827,470 -0.944,472 -2.254,473 -0.77,474 10.233,475 0.465,476 0.7,477 0.032,478 22.75,479 1.034,480 8,481 0.364,482 14.75,483 0.67,484 22.233,485 1.011,486 25.167,487 0.585,488 17.014,489 0.773,490 4.41,491 0.2,492 6.148,493 0.279,494 0.163,495 0.049,496 0.381,501 0.942,502 1.312,503 0.839,504 1.156,505 1.006,506 1.004,507 1.145,508 0.899,509 0.891,510 0.85,511 0.882,512 0.806,513 0.936,514 1.143,515 0.954,516 1.122,517 0.973,518 1.057,519 0.886,520 1.121,521 0.921,522 1.095,523 0.857,524 1.028,525 1.239,526 1.09,527 1.208,528 1.098,529 1.176,530 1.142,531 0.82,532 1.1,533 1.069,534 1.153,535 0.745,536 1.163,537 1.077,538 0.971,539 1.122,540 1.013,541 1.119,542 1.073,543 1.128,544 0.615,545 1.031,546 0.668,547 1.267,548 0.8,549 6,551 3.556,552 3.042,553 2.382,554 1.185,555 0.586,556 0.285,559 3894,560 9777,561 2.109,562 48.8,564 17,567 2,570 2,572 1.659,573 1.927,574 2.677,575 0.304,577 1,579 1,582 63.604,583 1.479,584 3.505,585 4.88,586 5.066,587 5.066,588 5.066,589 1.878,590 4.061,591 4.431,592 2.76,593 637.593,594 7.687,595 6541.29,597 1,600 233.329,601 1.708,602 4.363,603 0.24,605 0.091,606 0.063,607 0.051,608 0.035,609 0.025,610 0.024,613 0.529,614 0.5,615 1,616 0.853,617 95.242,618 -0.085,619 -0.091,620 0.051,621 0.002,622 -0.15,623 0.044,624 -0.16,625 0.258,626 0.054,627 0.206,628 -0.08,629 0.188,630 0.013,631 -0.045,632 -0.021,633 -0.043,634 -0.037,635 -0.041,636 0.064,637 -0.109,638 0.038,639 -0.082,640 0.061,641 -0.035,642 -0.163,643 -0.106,644 -0.223,645 -0.123,646 -0.159,647 -0.179,648 0.114,649 -0.164,650 -0.093,651 -0.2,652 0.146,653 -0.191,654 0.01,655 -0.114,656 -0.101,657 -0.119,658 0.012,659 -0.134,660 -0.125,661 0.167,662 0.014,663 0.147,664 -0.086,665 0.118,666 1.916,667 4.94,668 0.773,669 12.248,670 1.006,671 1.128,672 1.143,673 1.308,674 0.638,675 3.258,676 3.689,677 4.094,678 4.5,679 4.844,680 5.094,681 5.247,682 5.375,683 5.384,684 5.416,685 4.068,686 0.608,687 303.39,688 3.258,689 4.86,690 5.784,691 6.744,692 7.698,693 8.669,694 9.635,695 10.609,696 11.579,697 12.554,698 2.3,701 1,715 2,720 4,722 6,739 2,741 43,743 7,744 1,745 25,747 46,748 17,749 6,750 4,751 2,756 4,757 12,764 1,766 1,767 4,770 4,772 8,773 9,777 1,784 2,789 1,790 1,793 21,794 5,795 2,796 5,802 1,808 0.25,809 4,811 2,828 1,829 2,830 1,832 2,833 1,834 1,835 1,849 2,855 1,857 2,859 1,864 2,868 22,875 2,876 3,878 2,880 3,881 1,882 1,893 9.3,894 2,898 2,901 11.417,902 8.017,903 4.708,904 2.464,907 1.595,908 1.208,909 0.894,910 3.187,911 9.275,912 3.401,913 3.98,914 4.582,915 5.181,916 5.726,917 6.081,918 6.404,919 6.716,920 6.866,921 7.075,922 0.6,923 48,924 8.25,926 3.767,927 0.026,929 7.746,931 15.876,933 14.167,936 2.246,937 49.417,941 223.651,942 80.788,943 3.124,945 107.366,948 80.788,949 331.017,950 3.124,951 19.279,952 6.746,953 123.272,955 41.982,957 223.651,959 223.651,960 83.913,961 107.366,964 200.109,965 45.542,966 85.367,968 9.87,969 55.09,970 18.952,972 223.651,973 110.491,974 80.788,977 223.651,978 23.604,979 60.309,981 107.366,982 223.651,983 110.491,984 80.788,986 0.602,987 0.378,988 0.227,989 0.137,990 23,991 10,992 0.022,993 1,994 4,995 1.412,996 3.134,997 202.989,998 0.471,999 16,1000 98.107,1005 14.364,1006 4.881,1007 1.875,1009 110.491,1010 3.976,1015 3.584,1017 85.367,1018 414.93,1019 29,1026 3.733,1031 43.247,1032 48.488,1034 0.273,1035 0.646,1036 0.899,1037 0.934,1038 0.934,1039 0.934,1040 4.741,1041 1.243,1042 5.849,1043 4.392,1044 4.369,1045 4.663,1046 2.022,1047 6.855,1048 4.277,1049 5.964,1050 0.732,1051 7.535,1052 3.362,1053 4.29,1054 4.635,1055 0.325,1056 8.393,1057 4.18,1058 7.322,1059 0.472,1060 9.343,1061 1.651,1062 6.18,1063 6.807,1064 1.659,1065 11.612,1066 6.041,1067 8.72,1068 -0.018,1069 11.232,1070 1.041,1071 6.938,1072 7.601,1073 0.393,1074 14.054,1075 6.796,1076 10.161,1077 -0.219,1078 13.179,1079 -0.038,1080 8.399,1081 9.327,1082 1.366,1083 16.941,1084 8.24,1085 11.634,1086 -0.554,1087 15.17,1088 -0.538,1089 9.512,1090 10.49,1091 0.384,1092 19.652,1093 9.35,1094 13.131,1095 -0.666,1096 17.193,1097 -1.298,1098 10.858,1099 12.056,1100 1.122,1101 22.472,1102 10.682,1103 3.799,1104 -0.827,1105 19.241,1106 -1.859,1107 12.109,1108 13.386,1109 0.351,1110 25.252,1111 11.924,1112 2.844,1113 16.525,1114 21.307,1115 -2.254,1116 13.433,1117 14.892,1118 0.919,1119 28.059,1120 13.235,1121 2.536,1122 10.066,1123 23.386,1124 4.371,1125 14.735,1126 16.297,1127 0.312,1128 30.857,1129 14.524,1130 2.28,1131 7.846,1132 25.474,1133 3.469,1134 16.059,1135 17.781,1136 0.75,1137 33.662,1138 15.833,1139 2.141,1140 6.617,1141 27.569,1142 2.942,1143 17.379,1144 19.221,1145 0.273,1146 36.465,1147 17.138,1148 1.8,1149 6.347,1150 29.67,1151 2.447,1152 18.707,1153 20.697,1154 0.61,1155 39.27,1156 18.451,1157 1.485,1158 5.175,1159 31.774,1160 2.353,1161 20.035,1162 22.153,1163 0.236,1164 42.074,1165 19.762,1166 3817,1167 6090,1168 16.414,1169 27.438,1170 39.35,1171 39.436,1172 42.118,1173 38.703,1174 38.666,1175 44.422,1176 8.507,1177 126.044,1178 36.607,1179 5.88,1180 6.135,1181 7.838,1182 5.869,1183 5.799,1184 7.371,1185 1.776,1186 25.068,1187 5.731,1188 11.117,1189 1.574,1190 1.577,1191 1.685,1192 1.548,1193 1.547,1194 1.777,1195 0.34,1196 5.042,1197 1.464,1198 4.104,1199 4.121,1200 4.06,1201 4.02,1202 6.454,1203 4.026,1204 3.728,1205 3.762,1206 3.644,1207 3.632,1208 6.445,1209 3.63,1210 3.6,1211 3.661,1212 3.484,1213 3.386,1214 4.933,1215 3.399,1216 3.286,1217 3.332,1218 3.16,1219 3.087,1220 4.525,1221 3.096,1222 3.24,1223 3.307,1224 3.062,1225 2.973,1226 4.311,1227 2.98,1228 3.103,1229 3.156,1230 2.952,1231 2.925,1232 4.179,1233 2.919,1234 2.936,1235 3.002,1236 2.756,1237 2.746,1238 4.072,1239 2.734,1240 2.882,1241 2.977,1242 2.636,1243 2.691,1244 3.509,1245 2.665,1246 0.197,1247 0.165,1248 0.332,1249 0.191,1250 0.152,1251 4.918,1252 0.175,1253 4.135,1254 0.037,1255 8.296,1256 0.661,1257 4.781,1258 0.149,1259 3.799,1260 4.371,1261 0.916,1262 16.525,1263 3.731,1264 1.942,1265 1.925,1266 2.04,1267 2.02,1268 1.407,1269 2.026,1270 1.812,1271 1.783,1272 1.953,1273 1.969,1274 1.182,1275 1.965,1276 1.559,1277 1.495,1278 1.786,1279 1.799,1280 1.038,1281 1.797,1282 1.276,1283 1.229,1284 1.582,1285 1.549,1286 0.692,1287 1.556,1288 1.14,1289 1.054,1290 1.498,1291 1.426,1292 0.569,1293 1.45,1294 1.091,1295 1.038,1296 1.364,1297 1.307,1298 0.512,1299 1.323,1300 0.934,1301 0.837,1302 1.309,1303 1.185,1304 0.463,1305 1.233,1306 0.799,1307 0.742,1308 1.114,1309 1.083,1310 0.404,1311 1.09,1312 3.932,1314 5.333,1315 2.398,1316 6.948,1317 5.043,1318 8.672,1319 7.434,1320 10.46,1322 3.634,1327 20.917,1328 1.808,1330 11.619,1332 -1.382,1333 2.121,1334 -0.594,1340 26.149,1341 63.604,1342 150.726,1343 209.82,1344 217.82,1345 217.82,1346 217.82,1347 41.986,1348 7.68,1349 62.16,1350 62.16,1351 24,1352 13.028,1353 3,1354 2.322,1355 29.404,1356 54,1357 57,1358 0.291,1359 155.336,1360 277.92,1361 370.781,1362 19699,1364 15.483,1365 0.704,1366 0.583,1367 15.483,1368 12.821,1369 10.558,1370 0.422,1371 0.307,1372 7.527,1373 10.051,1374 7.318,1375 5.978,1376 10.558,1377 7.67,1378 10.098,1379 0.259,1380 0.168,1381 10.098,1382 6.545,1383 9.08,1384 0.154,1385 0.088,1386 9.08,1387 5.18,1388 8.432,1389 0.095,1390 0.047,1391 8.432,1392 4.185,1393 7.29,1394 0.058,1395 0.026,1396 7.29,1397 3.252,1398 0.415,1399 67.13,1400 0.247,1401 20.294,1402 0.956,1403 128,1404 347.416,1405 141.042,1406 322.414,1407 442.26,1408 304,1409 162,1410 321.215,1411 176.956,1412 324.424,1413 491.2,1414 304,1415 5.793}
{0 CHEMBL41,1 1.589,2 8.909,3 4.033,4 16.268,5 80.368,6 7.734,7 0.522,8 3.771,9 3.886,10 3.342,11 3.289,12 4.917,13 3.28,14 4.327,15 4.492,16 3.755,17 3.623,18 5.982,19 3.603,20 4.518,21 4.726,22 3.692,23 3.717,24 5.658,25 3.664,26 4.586,27 4.811,28 3.634,29 3.667,30 5.789,31 3.615,32 4.518,33 4.751,34 3.54,35 3.677,36 5.589,37 3.597,38 4.503,39 4.73,40 3.53,41 3.712,42 5.628,43 3.593,44 4.47,45 4.728,46 3.349,47 3.675,48 5.37,49 3.526,50 4.436,51 4.714,52 3.244,53 3.471,54 5.486,55 3.338,56 0.088,57 0.743,58 7.573,59 4.096,60 18.942,61 4.737,62 0.781,63 1.462,64 16.34,65 6.511,66 132.08,67 7.684,68 0.372,69 1.225,70 20.328,71 8.094,72 35.172,73 10.1,74 0.648,75 1.311,76 23.687,77 8.313,78 73.208,79 9.825,80 0.508,81 1.173,82 21.689,83 8.012,84 73.109,85 10.019,86 0.71,87 1.003,88 20.704,89 7.718,90 58.885,91 10.725,92 0.276,93 1.064,94 19.671,95 7.82,96 37.797,97 11.058,98 0.399,99 1.107,100 20.809,101 7.413,102 59.306,103 9.85,104 23,105 31,106 0.286,107 0.563,108 0.702,109 0.795,110 0.825,111 0.825,112 3.146,113 0.918,114 -5.38,115 -5.27,116 -4.92,121 42.5,123 1,126 1,127 1,129 1,134 1,144 9,145 2,146 1,176 10,180 4,185 1,187 11,192 4,200 7,206 3,209 1,211 1,214 6,219 1,224 2,227 9,237 4,239 10,249 3,251 8,261 1,264 4,277 1,281 668,282 14.532,283 14.532,284 14.532,285 14.532,286 14.532,287 13.121,288 17.549,289 8.883,290 14.989,291 11.344,292 11.344,293 11.344,294 11.344,295 11.344,296 9.298,297 21.258,298 4.19,299 12.137,300 3.733,301 2.195,302 1.42,303 0.907,304 0.738,305 0.738,306 3.805,310 1,311 1,312 1,313 398,314 3.808,318 163.503,325 1.38,326 33.221,328 1,329 0.75,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.89,337 50,338 196,339 4.44,340 4.46,341 7.111,342 4.171,343 3.314,344 3.837,345 3.825,346 11.657,347 2.874,348 4.099,349 3.307,350 6.164,351 3.832,352 2.873,353 3.554,354 1.151,355 9.161,356 2.755,357 3.784,358 2.67,359 5.337,360 3.365,361 2.418,362 3.155,363 0.4,364 6.93,365 2.252,366 3.188,367 2.074,368 4.612,369 2.858,370 1.887,371 2.367,373 4.842,374 1.826,375 2.91,376 1.905,377 4.398,378 2.505,379 1.592,380 2.026,382 4.329,383 1.415,384 2.639,385 1.686,386 3.548,387 2.402,388 1.442,389 1.661,391 2.875,392 1.379,393 2.5,394 1.196,395 3.414,396 2,397 1.017,398 1.5,400 2.275,401 1,402 2.5,403 1,404 3.333,405 2,406 1,407 1.5,409 2.211,410 1,411 2.223,412 1,413 3.247,414 1.965,415 1,416 1.192,418 2.136,419 0.958,420 1.335,421 0.567,422 2.875,423 1.175,424 0.253,425 0.265,427 0.452,428 0.231,429 1.009,430 0.51,431 2.544,432 0.729,433 -0.214,434 -0.249,436 -0.463,437 -0.2,438 0.651,439 0.51,440 2.277,441 0.239,442 -0.739,443 -0.961,445 -1.609,446 -0.7,447 0.5,448 0.13,449 2,450 0.037,451 -0.903,452 -0.988,454 -1.903,455 -0.7,456 0.5,457 -0.433,458 2,460 -1,461 -1,463 -2.347,464 -0.717,465 0.258,466 -0.648,467 2,469 -1,470 -1,472 -3,473 -0.847,474 10.09,475 0.459,476 0.583,477 0.026,478 25.75,479 1.17,480 12.5,481 0.568,482 13.25,483 0.602,484 16.501,485 0.75,486 25.31,487 0.633,488 20.005,489 0.909,490 5.495,491 0.25,492 5.009,493 0.228,494 0.134,495 0.05,496 0.198,498 3,501 0.591,502 0.96,503 0.711,504 1.121,505 0.593,506 1.009,507 0.543,508 0.712,509 0.807,510 1.021,511 0.367,512 1.015,513 0.718,514 0.856,515 0.811,516 1.071,517 0.48,518 1.013,519 1.118,520 0.944,521 1.045,522 0.971,523 0.942,524 0.984,525 0.868,526 0.813,527 0.959,528 0.943,529 0.786,530 0.977,531 0.268,532 0.564,533 0.831,534 0.939,535 0.205,536 1.068,537 0.285,538 0.718,539 0.836,540 1.104,541 0.304,542 1.167,543 0.676,544 0.95,545 0.9,546 1.07,547 0.777,548 1.073,549 5,550 0.112,551 2.444,552 1.188,553 0.813,554 0.653,555 0.243,556 0.323,557 0.308,558 0.186,559 4607,560 15997,561 1.959,562 45,564 15,567 1,570 2,572 1.646,573 1.821,574 3.136,575 -0.31,577 1,582 63.577,583 1.589,584 3.127,585 3.902,586 4.415,587 4.584,588 4.584,589 2.534,590 3.538,591 4.429,592 3.349,593 773.643,594 7.618,595 8745.25,597 1,598 1,599 1,600 212.877,601 1.546,602 4.371,603 0.217,604 0.01,605 0.079,606 0.04,607 0.03,608 0.025,609 0.01,610 0.015,611 0.018,612 0.013,613 0.458,614 0.5,615 1,616 1.37,617 101.792,618 -0.027,619 -0.036,620 0.018,621 -0.026,622 -0.092,623 0.006,624 0.37,625 0.301,626 0.076,627 -0.002,628 0.478,629 -0.053,630 -0.02,631 -0.123,632 0.069,633 -0.091,634 0.061,635 -0.01,636 -0.118,637 -0.053,638 -0.068,639 -0.01,640 -0.061,641 -0.02,642 -0.085,643 0.007,644 -0.035,645 0.033,646 -0.07,647 0.024,648 0.255,649 0.058,650 0.02,651 0.016,652 0.149,653 -0.053,654 0.067,655 -0.096,656 -0.008,657 -0.143,658 0.029,659 -0.118,660 0.011,661 -0.153,662 0.049,663 -0.121,664 -0.033,665 -0.051,666 5.58,667 4.565,668 0.545,669 18.612,670 1.02,671 1.147,672 4.153,673 17.245,674 0.647,675 3.178,676 3.466,677 3.611,678 3.761,679 3.951,680 3.951,681 3.97,682 3.97,683 4.007,684 3.85,685 5.689,686 0.629,687 309.36,688 3.178,689 4.691,690 5.493,691 6.347,692 7.174,693 8.033,694 8.868,695 9.729,696 10.567,697 11.429,698 2.5,700 1,715 9,720 3,722 12,739 1,741 40,743 12,744 2,745 23,747 41,748 17,749 12,750 3,751 9,756 2,757 2,763 1,769 1,770 2,772 12,773 5,790 1,791 3,793 18,794 5,795 1,796 5,802 1,808 1,809 1,829 2,853 1,859 2,864 1,866 3,868 22,876 2,877 1,878 1,880 1,882 1,892 3,893 2.5,898 1,901 12.083,902 7.179,903 4.944,904 2.309,907 1.965,908 1.313,909 0.95,910 5.591,911 8.251,912 3.401,913 3.912,914 4.369,915 4.828,916 5.327,917 5.32,918 5.532,919 5.666,920 6.002,921 6.171,922 0.833,923 30,924 8.512,926 3.887,927 0.026,929 8.254,931 15.016,933 11.813,936 2.754,937 60.583,941 200.109,942 117.697,943 18.011,945 11,946 44.88,948 117.697,949 211.109,950 62.891,951 8.396,952 4.64,953 103.297,955 67.495,957 200.109,958 7.76,959 200.109,960 135.708,961 55.88,964 176.567,965 79.422,968 30.411,969 105.297,972 244.989,973 29.011,974 117.697,977 207.868,978 16.255,979 93.683,980 18.011,981 55.88,982 200.109,983 73.891,984 117.697,986 0.571,987 0.308,988 0.153,989 0.088,990 13,991 6,992 0.146,993 6,995 1,996 3.383,997 158.857,999 12,1000 85.353,1005 16.538,1006 7.437,1007 4.854,1009 73.891,1010 14.433,1015 0.752,1017 18.011,1018 391.697,1019 29,1031 40.803,1032 45.879,1034 0.299,1035 0.587,1036 0.733,1037 0.83,1038 0.861,1039 0.861,1040 4.615,1041 1,1042 5.501,1043 2.275,1044 4.143,1045 4.595,1046 3.17,1047 6.304,1048 4.012,1049 5.804,1050 1,1051 7.067,1052 2.211,1053 3.892,1054 4.27,1055 3.903,1056 7.516,1057 3.511,1058 7.097,1059 0.253,1060 8.759,1061 2.136,1062 5.79,1063 6.669,1064 5.436,1065 10.464,1066 5.484,1067 8.429,1068 -0.214,1069 10.53,1070 0.452,1071 6.365,1072 7.094,1073 6.69,1074 12.484,1075 5.787,1076 9.795,1077 -0.739,1078 12.352,1079 -0.463,1080 7.794,1081 9.021,1082 8.059,1083 15.055,1084 7.254,1085 11.185,1086 -0.903,1087 14.208,1088 -1.609,1089 8.717,1090 9.803,1091 9.388,1092 17.347,1093 7.931,1094 12.593,1095 -1,1096 16.088,1097 -1.903,1098 9.978,1099 11.495,1100 10.734,1101 19.82,1102 9.17,1103 3.314,1104 -1,1105 17.985,1106 -2.347,1107 11.048,1108 12.477,1109 12.074,1110 22.208,1111 10.031,1112 2.873,1113 11.657,1114 19.894,1115 -3,1116 12.251,1117 14.033,1118 13.417,1119 24.658,1120 11.163,1121 2.418,1122 9.161,1123 21.813,1124 3.837,1125 13.384,1126 15.138,1127 14.758,1128 27.083,1129 12.114,1130 1.887,1131 6.93,1132 23.739,1133 3.554,1134 14.569,1135 16.61,1136 16.1,1137 29.529,1138 13.197,1139 1.592,1140 4.842,1141 25.672,1142 3.155,1143 15.731,1144 17.794,1145 17.441,1146 31.97,1147 14.193,1148 1.442,1149 4.329,1150 27.609,1151 2.367,1152 16.913,1153 19.214,1154 18.783,1155 34.418,1156 15.253,1157 1.017,1158 2.875,1159 29.549,1160 2.026,1161 18.089,1162 20.449,1163 20.124,1164 36.866,1165 16.271,1166 4731,1167 9040,1168 14.792,1169 25.887,1170 34.016,1171 32.993,1172 34.165,1173 33.851,1174 33.59,1175 42.113,1176 10.752,1177 93.737,1178 31.381,1179 5.314,1180 6.46,1181 6.972,1182 5.234,1183 5.314,1184 6.837,1185 5.335,1186 18.537,1187 4.874,1188 11.918,1189 1.479,1190 1.434,1191 1.485,1192 1.472,1193 1.46,1194 1.831,1195 0.467,1196 4.076,1197 1.364,1198 3.979,1199 4.004,1200 3.926,1201 3.896,1202 8.513,1203 3.896,1204 3.878,1205 3.907,1206 3.82,1207 3.813,1208 7.999,1209 3.81,1210 3.613,1211 3.693,1212 3.472,1213 3.432,1214 7.999,1215 3.429,1216 3.359,1217 3.406,1218 3.343,1219 3.076,1220 4.866,1221 3.112,1222 3.216,1223 3.292,1224 3.065,1225 2.959,1226 4.707,1227 2.981,1228 2.872,1229 2.955,1230 2.687,1231 2.735,1232 4.355,1233 2.715,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 4.21,1239 2.715,1240 2.854,1241 2.925,1242 2.647,1243 2.698,1244 3.674,1245 2.673,1246 0.193,1247 0.194,1248 0.309,1249 0.181,1250 0.144,1251 4.44,1252 0.167,1253 4.46,1254 0.166,1255 7.111,1256 0.507,1257 4.171,1258 0.125,1259 3.314,1260 3.837,1261 3.825,1262 11.657,1263 2.874,1264 1.936,1265 1.913,1266 2.058,1267 2.041,1268 1.27,1269 2.045,1270 1.872,1271 1.848,1272 1.976,1273 1.962,1274 1.074,1275 1.967,1276 1.593,1277 1.522,1278 1.848,1279 1.818,1280 1.002,1281 1.834,1282 1.254,1283 1.177,1284 1.583,1285 1.529,1286 0.667,1287 1.538,1288 1.069,1289 1.029,1290 1.237,1291 1.405,1292 0.412,1293 1.323,1294 0.886,1295 0.821,1296 1.181,1297 1.121,1298 0.218,1299 1.146,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.885,1307 0.809,1308 1.106,1309 1.062,1310 0.196,1311 1.107,1312 3.85,1314 5.142,1316 6.627,1318 8.194,1320 9.802,1322 1.847,1324 37.694,1328 1.474,1329 3.054,1330 5.863,1332 -0.203,1334 -4.33,1340 25.154,1341 63.577,1342 125.064,1343 156.083,1344 176.612,1345 183.367,1346 183.367,1347 50.772,1348 6.286,1349 21.26,1350 21.26,1351 12,1352 11.983,1353 3.7,1354 2.807,1355 42.15,1356 74,1357 68,1358 0.28,1359 155.874,1360 278.3,1361 372.093,1362 3540,1363 7.5,1364 16.002,1365 0.727,1366 0.556,1367 13.502,1368 12.23,1369 10.503,1370 0.457,1371 0.306,1372 6.905,1373 9.994,1374 6.777,1375 5.629,1376 9.292,1377 7.039,1378 9.62,1379 0.31,1380 0.159,1381 7.662,1382 4.932,1383 6.953,1384 0.193,1385 0.091,1386 6.016,1387 3.288,1388 5.31,1389 0.126,1390 0.051,1391 4.611,1392 2.124,1393 4.207,1394 0.082,1395 0.028,1396 3.943,1397 1.423,1398 0.435,1399 66.69,1400 0.26,1401 21.785,1402 0.775,1403 108,1404 490.402,1405 130.279,1406 390.823,1407 499.59,1408 362,1409 121,1410 337.209,1411 136.794,1412 322.292,1413 486.24,1414 302,1415 5}
{0 CHEMBL411,1 1.234,2 8.3,3 5.087,4 25.873,5 82.667,6 6.709,7 0.571,8 3.74,9 3.852,10 3.195,11 3.336,12 4.86,13 3.279,14 4.213,15 4.384,16 3.499,17 3.693,18 5.255,19 3.607,20 4.469,21 4.672,22 3.586,23 3.835,24 5.48,25 3.731,26 4.508,27 4.698,28 3.542,29 3.903,30 5.438,31 3.771,32 4.687,33 4.922,34 3.537,35 4.006,36 5.516,37 3.833,38 4.819,39 5.102,40 3.412,41 3.961,42 5.616,43 3.751,44 4.675,45 4.979,46 3.162,47 3.649,48 5.541,49 3.443,50 4.239,51 4.509,52 2.791,53 3.094,54 5.363,55 2.953,56 0.053,57 0.48,58 8.888,59 4.128,60 10.224,61 5.362,62 0.056,63 0.768,64 14.544,65 6.688,66 14.139,67 8.998,68 0.138,69 0.963,70 19.46,71 8.359,72 28.209,73 11.244,74 0.121,75 1.021,76 19.908,77 8.913,78 21.556,79 12.063,80 0.092,81 1.226,82 23.88,83 10.852,84 20.218,85 15.179,86 0.142,87 1.352,88 28.122,89 11.983,90 32.046,91 17.007,92 0.209,93 1.114,94 25.233,95 9.757,96 41.881,97 13.696,98 0.245,99 0.671,100 16.93,101 5.662,102 49.438,103 7.412,104 21,105 28,106 0.221,107 0.527,108 0.606,109 0.642,110 0.642,111 0.642,112 3.058,113 0.994,114 -5.19,115 -5.08,116 -4.75,121 45,122 2,123 2,138 2,144 8,145 2,146 2,176 15,185 4,187 20,197 4,200 24,211 2,214 24,224 2,227 21,237 4,239 12,249 6,251 4,261 6,274 4,281 508,282 13.516,283 13.516,284 13.516,285 13.516,286 13.516,287 11.781,288 10.022,289 7.938,290 13.597,291 10.196,292 10.196,293 10.196,294 10.196,295 10.196,296 7.597,297 4.405,298 3.553,299 10.359,300 4.087,301 2.38,302 1.938,303 1.738,304 1.738,305 1.738,306 3.714,311 1,312 1,313 340,314 3.162,318 143.278,325 1.16,326 14.191,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 42,338 166,339 4.478,340 3.258,341 6.676,342 4.1,343 3.1,344 4.065,346 10.757,347 3.098,348 4.011,349 2.736,350 5.777,351 3.604,352 2.616,353 3.614,355 7.844,356 2.585,357 3.768,358 2.602,359 5.1,360 3.32,361 2.357,362 3.237,364 6.211,365 2.265,366 3.422,367 2.335,368 4.981,369 3.071,370 2.106,371 2.706,373 5.856,374 2.023,375 2.952,376 1.713,377 4.517,378 2.507,379 1.523,380 2.086,382 4.269,383 1.494,384 2.5,385 1.436,386 3.736,387 2.097,388 1.101,389 1.5,391 2.307,392 1.095,393 2.5,394 1,395 3.414,396 2,397 1,398 1.5,400 2.275,401 1,402 2.186,403 1,404 3.414,405 2,406 1,407 1.169,409 2.275,410 1,411 1.42,412 0.371,413 2.523,414 1.264,415 0.271,416 0.296,418 0.364,419 0.268,420 1.224,421 0.229,422 2.489,423 0.963,429 1.05,430 -0.037,431 2.283,432 0.632,433 -0.31,434 -0.39,436 -0.64,437 -0.288,438 0.5,439 -0.459,440 2,441 0.276,442 -0.684,443 -0.758,445 -1.288,446 -0.651,447 0.5,448 -1,449 2,451 -1,452 -1.5,454 -3,455 -1,456 0.444,457 -1,458 1.624,460 -1,461 -1.5,463 -3,464 -1,465 -0.045,466 -1.051,467 1.576,468 -0.375,469 -1.298,470 -1.534,472 -3.078,473 -1.202,474 9.667,475 0.483,476 0.435,477 0.022,478 25.5,479 1.275,480 14.5,481 0.725,482 11,483 0.55,484 15.5,485 0.775,486 21.533,487 0.538,488 16.963,489 0.848,490 4.927,491 0.246,492 4.724,493 0.236,494 0.172,496 0.31,501 0.988,502 0.961,503 0.952,504 0.959,505 1.04,506 0.953,507 0.559,508 1.043,509 0.85,510 1.036,511 0.515,512 0.983,513 0.926,514 0.94,515 0.928,516 0.939,517 0.885,518 0.934,519 0.758,520 1.155,521 1.153,522 1.17,523 0.775,524 1.199,525 0.274,526 1.184,527 1.042,528 1.2,529 0.311,530 1.203,531 0.359,532 1.09,533 0.937,534 1.098,535 0.435,536 1.082,537 0.888,538 0.923,539 0.868,540 0.917,541 0.918,542 0.894,543 2.3,544 0.871,545 1.133,546 0.85,547 2.185,548 0.864,549 4,550 0.041,551 2.667,552 1.375,553 1.164,554 0.639,555 0.444,556 0.292,557 0.131,558 0.04,559 3281,560 8466,561 1.966,562 50,563 10,564 8,567 2,572 1.623,573 1.818,574 3.027,575 0.213,582 49.38,583 1.234,584 2.941,585 3.384,586 3.584,587 3.584,588 3.584,589 2.446,590 2.922,591 4.292,592 3.117,593 592.297,594 7.361,595 5991.59,597 1,600 212.877,601 1.485,602 4.237,603 0.19,604 0.021,605 0.095,606 0.046,607 0.042,608 0.024,609 0.02,610 0.018,611 0.013,612 0.008,613 0.477,614 0.67,615 1,616 1.013,617 87.569,618 -0.105,619 0.119,620 -0.013,621 0.11,622 -0.154,623 0.066,624 0.041,625 -0.002,626 0.073,627 0.006,628 0.096,629 0.038,630 -0.048,631 0.07,632 0.03,633 0.069,634 -0.01,635 0.059,636 -0.099,637 -0.134,638 -0.227,639 -0.147,640 -0.109,641 -0.194,642 0.02,643 -0.186,644 -0.145,645 -0.189,646 0.016,647 -0.185,648 0.071,649 -0.133,650 -0.012,651 -0.125,652 0.026,653 -0.084,654 0.042,655 0.002,656 0.119,657 0.016,658 0.017,659 0.067,660 -0.197,661 0.04,662 -0.03,663 0.04,664 -0.131,665 0.025,666 1.383,667 3.411,668 0.6,669 13.8,670 0.987,671 1.114,672 3.956,673 15.651,674 0.663,675 3.091,676 3.367,677 3.611,678 3.807,679 3.989,680 3.892,681 3.892,682 3.807,683 3.497,684 3.219,685 4.849,686 0.617,687 268.38,688 3.091,689 4.595,690 5.425,691 6.282,692 7.133,693 7.995,694 8.854,695 9.717,696 10.578,697 11.443,715 8,720 4,722 12,738 2,741 40,743 13,744 2,745 21,747 41,748 18,749 12,750 4,751 8,752 2,756 2,757 2,763 2,770 2,772 14,773 4,777 1,786 2,793 20,794 2,795 2,796 2,808 1,809 2,829 2,850 2,859 2,864 2,868 20,875 2,876 2,893 5,895 2,901 11,902 7.567,903 4.667,904 2.649,907 2.553,908 1.419,909 0.912,910 4.723,911 8.647,912 3.367,913 3.951,914 4.516,915 5.035,916 5.575,917 5.712,918 6.015,919 6.3,920 6.46,921 6.593,922 0.833,923 30,924 7.362,926 2.983,927 0.026,929 7.75,931 14.168,933 11.234,936 2.25,937 45,938 0.001,941 211.88,942 111.272,945 85.367,948 111.272,949 297.247,951 17.65,952 5.069,953 75.81,954 85.367,955 12.742,957 211.88,959 211.88,960 111.272,961 85.367,964 211.88,965 85.367,968 22.719,969 88.552,972 211.88,973 85.367,974 111.272,977 211.88,978 17.811,979 93.46,981 85.367,982 211.88,983 85.367,984 111.272,986 0.566,987 0.343,988 0.186,989 0.104,990 12,991 6,992 0.098,993 4,995 1,996 3.123,997 143.571,999 12,1000 58.439,1005 14.512,1006 6.509,1007 3.368,1009 85.367,1010 14.664,1015 2.837,1017 85.367,1018 408.518,1019 28,1028 2.552,1031 39.491,1032 44.571,1034 0.232,1035 0.553,1036 0.636,1037 0.673,1038 0.673,1039 0.673,1040 4.564,1041 1,1042 5.398,1043 2.275,1044 4.043,1045 4.635,1047 6.184,1048 4.015,1049 5.773,1050 0.271,1051 6.948,1052 2.275,1053 3.611,1054 4.369,1056 7.111,1057 3.544,1058 7.078,1060 8.6,1061 0.364,1062 5.609,1063 6.822,1065 10.176,1066 5.564,1067 8.422,1068 -0.31,1069 10.312,1071 5.994,1072 7.335,1074 11.955,1075 5.926,1076 9.796,1077 -0.684,1078 12.065,1079 -0.64,1080 7.46,1081 9.258,1083 14.561,1084 7.408,1085 11.192,1086 -1,1087 13.848,1088 -1.288,1089 8.223,1090 10.146,1092 16.689,1093 8.163,1094 12.603,1095 -1,1096 15.652,1097 -3,1098 9.474,1099 11.821,1101 19.146,1102 9.424,1103 3.1,1104 -1.298,1105 17.474,1106 -3,1107 10.421,1108 12.916,1110 21.417,1111 10.37,1112 2.616,1113 10.757,1114 19.309,1115 -3.078,1116 11.586,1117 14.461,1119 23.822,1120 11.542,1121 2.357,1122 7.844,1123 21.155,1124 4.065,1125 12.622,1126 15.677,1128 26.153,1129 12.581,1130 2.106,1131 6.211,1132 23.011,1133 3.614,1134 13.755,1135 17.15,1137 28.539,1138 13.718,1139 1.523,1140 5.856,1141 24.873,1142 3.237,1143 14.836,1144 18.439,1146 30.894,1147 14.801,1148 1.101,1149 4.269,1150 26.742,1151 2.706,1152 15.959,1153 19.874,1155 33.274,1156 15.928,1157 1,1158 2.307,1159 28.616,1160 2.086,1161 17.062,1162 21.206,1164 35.64,1165 17.033,1166 3389,1167 5516,1168 13.523,1169 26.523,1170 30.473,1171 30.427,1172 32.564,1173 30.269,1174 30.148,1175 40.347,1177 84.314,1178 29.657,1179 5.172,1180 5.258,1181 6.208,1182 5.1,1183 5.1,1184 7.065,1186 17.897,1187 5.098,1188 10.878,1189 1.451,1190 1.449,1191 1.551,1192 1.441,1193 1.436,1194 1.921,1196 4.015,1197 1.412,1198 4.015,1199 4.037,1200 3.96,1201 3.966,1202 6.473,1203 3.962,1204 3.851,1205 3.873,1206 3.79,1207 3.786,1208 6.468,1209 3.783,1210 3.592,1211 3.641,1212 3.478,1213 3.487,1214 4.718,1215 3.478,1216 3.384,1217 3.475,1218 3.15,1219 3.218,1220 4.569,1221 3.189,1222 3.04,1223 3.095,1224 2.87,1225 2.87,1226 4.174,1227 2.858,1228 2.884,1229 2.925,1230 2.785,1231 2.735,1232 3.959,1233 2.715,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 3.674,1239 2.715,1240 2.854,1241 2.905,1242 2.687,1243 2.693,1244 3.674,1245 2.707,1246 0.213,1247 0.155,1248 0.318,1249 0.195,1250 0.148,1251 4.478,1252 0.194,1253 3.258,1255 6.676,1256 0.512,1257 4.1,1258 0.148,1259 3.1,1260 4.065,1262 10.757,1263 3.098,1264 1.991,1265 1.971,1266 2.095,1267 2.06,1268 1.305,1269 2.072,1270 1.846,1271 1.825,1272 1.959,1273 1.936,1274 1.05,1275 1.944,1276 1.601,1277 1.555,1278 1.831,1279 1.754,1280 0.949,1281 1.782,1282 1.423,1283 1.337,1284 1.768,1285 1.639,1286 0.92,1287 1.688,1288 1.025,1289 0.967,1290 1.286,1291 1.238,1292 0.408,1293 1.251,1294 0.886,1295 0.821,1296 1.181,1297 1.078,1298 0.218,1299 1.107,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.802,1307 0.776,1308 1.03,1309 1.062,1310 0.142,1311 1.049,1312 3.761,1314 5.043,1316 6.538,1318 8.123,1320 9.751,1322 4.274,1327 18.821,1328 1.851,1340 24.698,1341 49.38,1342 117.658,1343 135.367,1344 143.367,1345 143.367,1346 143.367,1347 33.337,1348 6.094,1349 40.46,1350 40.46,1351 12,1352 11.991,1353 3.807,1354 3,1355 36.172,1356 56,1357 60,1358 0.319,1359 156.147,1360 272.54,1361 372.757,1362 2638,1364 14.535,1365 0.727,1366 0.596,1367 14.535,1368 11.927,1369 9.651,1370 0.46,1371 0.331,1372 6.931,1373 9.509,1374 6.683,1375 5.633,1376 9.651,1377 6.961,1378 8.184,1379 0.292,1380 0.17,1381 8.184,1382 4.758,1383 6.825,1384 0.19,1385 0.097,1386 6.825,1387 3.503,1388 5.399,1389 0.123,1390 0.057,1391 5.399,1392 2.509,1393 4.362,1394 0.082,1395 0.031,1396 4.362,1397 1.641,1398 0.481,1399 59.063,1400 0.272,1401 19.669,1402 0.932,1403 98,1404 244.299,1405 102.207,1406 245.215,1407 335.24,1408 228,1409 113,1410 246.061,1411 116.322,1412 253.624,1413 365.32,1414 240,1415 4.593}
{0 CHEMBL413549,1 1.354,2 12.125,3 4.657,4 21.688,5 97.527,6 6.121,7 0.231,8 4.046,9 4.185,10 3.446,11 3.549,12 4.934,13 3.49,14 4.667,15 4.878,16 3.791,17 3.976,18 5.538,19 3.875,20 4.972,21 5.236,22 3.827,23 4.141,24 5.691,25 4.003,26 4.977,27 5.237,28 3.736,29 4.108,30 5.761,31 3.949,32 4.959,33 5.244,34 3.597,35 3.973,36 5.755,37 3.806,38 4.758,39 5.035,40 3.405,41 3.744,42 5.584,43 3.588,44 4.519,45 4.78,46 3.325,47 3.552,48 5.418,49 3.434,50 4.408,51 4.64,52 3.246,53 3.452,54 5.436,55 3.352,56 0.057,57 0.756,58 13.48,59 5.415,60 6.871,61 7.779,62 0.376,63 1.249,64 25.083,65 9.082,66 31.92,67 13.485,68 0.286,69 1.533,70 33.113,71 11.791,72 25.246,73 17.591,74 0.269,75 1.496,76 33.196,77 12.044,78 33.021,79 17.738,80 0.328,81 1.361,82 32.613,83 10.927,84 38.412,85 16.33,86 0.37,87 1.077,88 26.991,89 8.723,90 34.487,91 12.899,92 0.25,93 0.882,94 21.457,95 6.679,96 25.933,97 9.982,98 0.366,99 0.787,100 19.749,101 5.851,102 39.092,103 8.528,104 21,105 35,106 0.229,107 0.485,108 0.721,109 0.875,110 0.888,111 0.888,112 3.228,113 1.103,114 -4.4,115 -4.33,116 -4.09,121 37,122 2,123 6,124 1,127 3,129 1,144 3,145 2,146 1,161 1,176 11,179 1,180 6,183 2,185 1,187 13,192 5,197 1,200 9,206 8,211 3,214 7,219 6,224 3,227 4,231 1,232 4,237 3,239 4,244 4,249 2,251 4,255 1,256 3,259 1,264 6,277 8,281 850,282 16.585,283 16.585,284 16.585,285 16.585,286 16.585,287 15.755,288 22.805,289 10.13,290 16.904,291 12.779,292 12.779,293 12.779,294 12.779,295 12.779,296 11.398,297 30.034,298 4.743,299 13.238,300 4.401,301 2.889,302 1.496,303 0.584,304 0.509,305 0.509,306 3.913,311 1,312 1,313 620,314 3.742,317 45.53,318 117.611,319 69.109,321 85.025,323 108.605,325 1.885,326 17.011,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 51,338 291,339 4.494,340 3.671,341 6.871,342 4.265,343 3.281,344 4.039,345 2.186,346 11.508,347 3.23,348 3.87,349 3.551,350 5.968,351 3.559,352 2.627,353 3.141,354 0.916,355 8.372,356 2.44,357 3.562,358 2.831,359 5.452,360 3.335,361 2.39,362 2.699,363 0.366,364 7.227,365 2.244,366 3.338,367 2.525,368 5.228,369 3.098,370 2.111,371 2.462,372 0.172,373 6.172,374 2.075,375 3.154,376 2.215,377 4.802,378 2.91,379 1.94,380 2.272,382 5.401,383 1.873,384 2.797,385 1.875,386 4.356,387 2.754,388 1.757,389 1.795,391 3.764,392 1.746,393 2.5,394 1.461,395 3.786,396 2.267,397 1.29,398 1.5,400 3.483,401 1.257,402 2.303,403 1.415,404 3.773,405 2.206,406 1.216,407 1.291,409 2.741,410 1.2,411 2.263,412 1.137,413 3.257,414 2.07,415 1.079,416 1.237,418 2.3,419 1.068,420 1.667,421 0.842,422 3.078,423 1.594,424 0.617,425 0.641,427 1.147,428 0.601,429 1.575,430 0.752,431 2.809,432 1.496,433 0.526,434 0.54,436 0.912,437 0.507,438 1.262,439 0.64,440 2.561,441 0.985,442 0.026,443 0.029,445 0.053,446 0.024,447 0.857,448 0.095,449 2.451,450 0.73,451 -0.241,452 -0.248,454 -0.43,455 -0.232,456 0.809,457 -0.064,458 2.342,459 0.602,460 -0.398,461 -0.456,463 -0.842,464 -0.393,465 0.577,466 -0.412,467 2.119,468 0.207,469 -0.778,470 -0.84,472 -1.876,473 -0.759,474 11.467,475 0.478,476 0.448,477 0.019,478 23,479 0.958,480 8,481 0.333,482 15,483 0.625,484 25.025,485 1.043,486 28.133,487 0.521,488 14.187,489 0.591,490 3.746,491 0.156,492 7.978,493 0.332,494 0.116,496 0.297,501 0.791,502 1.472,503 0.986,504 1.297,505 0.589,506 1.179,507 0.63,508 1.153,509 0.998,510 1.103,511 0.387,512 1.084,513 0.952,514 0.979,515 0.945,516 0.952,517 0.654,518 0.942,519 0.976,520 1.147,521 1.035,522 1.137,523 0.912,524 1.101,525 1.217,526 0.987,527 0.978,528 0.977,529 1.28,530 0.954,531 1.538,532 0.932,533 1.03,534 0.926,535 1.488,536 0.93,537 1.707,538 1.026,539 1.03,540 0.955,541 1.972,542 0.924,543 2.311,544 0.894,545 1.288,546 0.924,547 2.952,548 0.991,549 4,550 0.077,551 2.222,552 1.667,553 1.094,554 0.58,555 0.42,556 0.278,557 0.176,558 0.115,559 6705,560 11905,561 2.064,562 55.6,563 10,564 10,567 1,569 9,572 1.663,573 1.946,574 3.51,575 -0.383,582 73.119,583 1.354,584 2.866,585 4.259,586 5.171,587 5.245,588 5.245,589 3.074,590 4.335,591 4.544,592 3.668,593 1012.43,594 7.819,595 12236,597 1,600 310.764,601 1.347,602 4.522,603 0.154,604 0.006,605 0.063,606 0.046,607 0.035,608 0.022,609 0.02,610 0.014,611 0.01,612 0.008,613 0.378,614 0.33,615 1,616 2.202,617 116.253,618 0.013,619 -0.145,620 0.063,621 -0.053,622 0.007,623 0.001,624 0.297,625 0.027,626 0.029,627 -0.013,628 0.245,629 -0.02,630 -0.045,631 0.061,632 0.044,633 0.059,634 0.015,635 0.064,636 -0.031,637 -0.136,638 -0.051,639 -0.117,640 0.015,641 -0.09,642 -0.047,643 -0.047,644 0.017,645 -0.029,646 -0.045,647 -0.001,648 -0.041,649 -0.015,650 -0.002,651 0.006,652 -0.102,653 0.004,654 -0.105,655 -0.06,656 0.026,657 -0.013,658 -0.155,659 0.017,660 -0.147,661 0.108,662 -0.156,663 0.007,664 -0.205,665 -0.07,666 1.998,667 4.93,668 0.5,669 25.188,670 0.986,671 1.134,672 3.173,673 10.065,674 0.622,675 3.296,676 3.584,677 3.871,678 4.174,679 4.431,680 4.585,681 4.718,682 4.804,683 4.804,684 4.844,685 6.713,686 0.571,687 330.52,688 3.296,689 4.812,690 5.659,691 6.538,692 7.418,693 8.315,694 9.212,695 10.121,696 11.028,697 11.944,698 3.7,701 1,705 1,715 3,720 3,722 6,737 1,741 54,743 7,744 1,745 26,747 56,748 20,749 6,750 3,751 3,756 3,757 6,763 2,767 3,768 1,770 7,772 7,773 13,774 1,777 1,782 1,786 1,790 1,793 30,794 4,795 1,796 4,802 2,808 0.333,809 2,828 1,829 2,830 1,832 1,834 1,855 1,859 1,864 2,868 24,876 9,877 1,878 1,880 2,881 1,893 3.7,896 1,898 1,901 12.333,902 9.95,903 5.528,904 4.003,907 1.291,908 1.178,909 0.941,910 6.043,911 8.523,912 3.434,913 3.882,914 4.347,915 4.87,916 5.362,917 5.626,918 5.962,919 6.226,920 6.265,921 6.388,922 1,923 36,924 8.964,926 3.725,927 0.026,929 7.493,931 17.966,933 15.136,936 1.993,937 47.833,938 0.001,939 1,940 1,941 341.362,942 85.981,943 21.135,945 36.145,948 85.981,949 377.507,950 21.135,951 17.65,952 39.535,953 28.429,954 25.145,955 25.739,956 6.763,957 341.362,959 341.362,960 107.116,961 36.145,964 235.422,965 142.085,968 60.31,969 46.806,972 341.362,973 57.28,974 85.981,977 341.362,978 39.901,979 49.203,980 18.011,981 36.145,982 341.362,983 57.28,984 85.981,986 0.559,987 0.326,988 0.18,989 0.099,990 16,991 7,992 0.143,993 8,994 3,995 1.417,996 3.713,997 186.875,998 0.5,999 11,1000 110.039,1005 17.597,1006 8.241,1007 4.075,1009 57.28,1010 6.206,1015 3.506,1017 18.011,1018 484.622,1019 30,1024 11.93,1028 -0.331,1031 53.229,1032 61.228,1034 0.235,1035 0.498,1036 0.74,1037 0.899,1038 0.911,1039 0.911,1040 4.677,1041 1.216,1042 5.624,1043 3.483,1044 4.263,1045 4.564,1046 2.401,1047 6.438,1048 4.197,1049 5.809,1050 1.079,1051 7.175,1052 2.741,1053 3.761,1054 4.27,1055 1.847,1056 7.357,1057 3.657,1058 7.084,1059 0.617,1060 8.834,1061 2.3,1062 5.838,1063 6.549,1064 3.519,1065 10.505,1066 5.707,1067 8.394,1068 0.526,1069 10.558,1070 1.147,1071 6.217,1072 7.118,1073 3.603,1074 12.322,1075 6.062,1076 9.744,1077 0.026,1078 12.326,1079 0.912,1080 7.731,1081 8.897,1082 4.91,1083 14.989,1084 7.557,1085 11.122,1086 -0.241,1087 14.125,1088 0.053,1089 8.542,1090 9.871,1091 5.291,1092 17.18,1093 8.357,1094 12.523,1095 -0.398,1096 15.949,1097 -0.43,1098 9.836,1099 11.451,1100 6.388,1101 19.692,1102 9.637,1103 3.281,1104 -0.778,1105 17.791,1106 -0.842,1107 10.853,1108 12.626,1109 6.93,1110 22.035,1111 10.649,1112 2.627,1113 11.508,1114 19.647,1115 -1.876,1116 12.065,1117 14.116,1118 7.902,1119 24.498,1120 11.851,1121 2.39,1122 8.372,1123 21.515,1124 4.039,1125 13.176,1126 15.394,1127 8.539,1128 26.901,1129 12.956,1130 2.111,1131 7.227,1132 23.394,1133 3.141,1134 14.363,1135 16.839,1136 9.436,1137 29.348,1138 14.133,1139 1.94,1140 6.172,1141 25.28,1142 2.699,1143 15.515,1144 18.171,1145 10.13,1146 31.774,1147 15.277,1148 1.757,1149 5.401,1150 27.173,1151 2.462,1152 16.696,1153 19.594,1154 10.981,1155 34.218,1156 16.448,1157 1.29,1158 3.764,1159 29.071,1160 2.272,1161 17.866,1162 20.954,1163 11.71,1164 36.654,1165 17.608,1166 6651,1167 9012,1168 17.394,1169 33.58,1170 37.879,1171 38.928,1172 39.53,1173 37.723,1174 37.718,1175 43.293,1176 7.283,1177 106.162,1178 36.53,1179 5.494,1180 5.671,1181 6.824,1182 5.344,1183 5.281,1184 7.039,1185 3.889,1186 18.814,1187 5.23,1188 11.226,1189 1.457,1190 1.497,1191 1.52,1192 1.451,1193 1.451,1194 1.665,1195 0.28,1196 4.083,1197 1.405,1198 4.083,1199 4.116,1200 4.02,1201 4.008,1202 7.435,1203 4.007,1204 3.768,1205 3.835,1206 3.634,1207 3.624,1208 4.816,1209 3.608,1210 3.671,1211 3.719,1212 3.554,1213 3.518,1214 4.388,1215 3.522,1216 3.522,1217 3.595,1218 3.385,1219 3.312,1220 4.242,1221 3.312,1222 3.405,1223 3.484,1224 3.209,1225 3.243,1226 4.111,1227 3.223,1228 3.265,1229 3.318,1230 3.103,1231 3.034,1232 3.993,1233 3.048,1234 3.103,1235 3.185,1236 2.917,1237 2.926,1238 3.879,1239 2.921,1240 2.958,1241 3.038,1242 2.774,1243 2.805,1244 3.629,1245 2.788,1246 0.173,1247 0.141,1248 0.264,1249 0.164,1250 0.126,1251 4.494,1252 0.155,1253 3.671,1254 0.084,1255 6.871,1256 0.443,1257 4.265,1258 0.124,1259 3.281,1260 4.039,1261 2.186,1262 11.508,1263 3.23,1264 1.893,1265 1.876,1266 2.025,1267 1.985,1268 1.396,1269 1.993,1270 1.8,1271 1.74,1272 2.009,1273 1.978,1274 1.353,1275 1.985,1276 1.763,1277 1.698,1278 1.977,1279 1.931,1280 1.194,1281 1.96,1282 1.5,1283 1.425,1284 1.795,1285 1.744,1286 1.035,1287 1.759,1288 1.434,1289 1.352,1290 1.758,1291 1.641,1292 0.952,1293 1.685,1294 1.205,1295 1.163,1296 1.482,1297 1.491,1298 0.779,1299 1.484,1300 1.123,1301 1.043,1302 1.462,1303 1.34,1304 0.64,1305 1.387,1306 1,1307 0.927,1308 1.267,1309 1.234,1310 0.487,1311 1.254,1312 3.97,1314 5.263,1315 2.398,1316 6.76,1317 4.949,1318 8.364,1319 7.222,1320 10.031,1322 4.421,1328 10.011,1329 2.851,1330 5.484,1332 1.193,1333 2.561,1340 30.848,1341 73.119,1342 154.778,1343 229.97,1344 279.254,1345 283.254,1346 283.254,1347 39.181,1348 7.232,1349 41.57,1350 41.57,1351 17,1352 12.458,1353 3,1354 2.322,1355 39.674,1356 95,1357 122,1358 0.206,1359 190.309,1360 335.6,1361 456.113,1362 12752,1364 16.941,1365 0.706,1366 0.626,1367 16.941,1368 15.014,1369 11.724,1370 0.451,1371 0.368,1372 9.469,1373 11.354,1374 9.233,1375 7.701,1376 11.724,1377 9.561,1378 9.956,1379 0.284,1380 0.201,1381 9.956,1382 7.033,1383 8.368,1384 0.178,1385 0.117,1386 8.368,1387 5.487,1388 7.113,1389 0.111,1390 0.065,1391 7.113,1392 4.157,1393 5.793,1394 0.07,1395 0.036,1396 5.793,1397 3.012,1398 0.331,1399 72.766,1400 0.24,1401 23.909,1402 0.543,1403 122,1404 289.449,1405 132.889,1406 275.646,1407 381.59,1408 260,1409 143,1410 285.064,1411 152.645,1412 284.49,1413 421.22,1414 270,1415 6.903}
{0 CHEMBL413765,1 1.337,2 12.16,3 4.863,4 23.651,5 102.002,6 6.045,7 0.222,8 4.096,9 4.235,10 3.482,11 3.598,12 4.982,13 3.535,14 4.719,15 4.933,16 3.857,17 4.038,18 5.576,19 3.939,20 5.019,21 5.272,22 3.903,23 4.224,24 5.755,25 4.088,26 5.105,27 5.368,28 3.812,29 4.234,30 5.868,31 4.061,32 5.097,33 5.398,34 3.699,35 4.082,36 5.862,37 3.906,38 4.86,39 5.13,40 3.523,41 3.865,42 5.695,43 3.715,44 4.67,45 4.936,46 3.462,47 3.709,48 5.563,49 3.58,50 4.57,51 4.811,52 3.32,53 3.577,54 5.607,55 3.465,56 0.062,57 0.794,58 14.302,59 5.762,60 7.869,61 8.284,62 0.387,63 1.319,64 26.477,65 9.702,66 33.19,67 14.363,68 0.284,69 1.643,70 34.788,71 12.71,72 26.249,73 18.825,74 0.294,75 1.701,76 37.543,77 13.812,78 36.509,79 20.359,80 0.352,81 1.538,82 36.973,83 12.429,84 42.824,85 18.708,86 0.423,87 1.202,88 29.95,89 9.662,90 39.382,91 14.231,92 0.252,93 1.034,94 24.706,95 7.989,96 29.47,97 11.937,98 0.439,99 0.911,100 23.225,101 6.64,102 49.415,103 9.833,104 28,105 38,106 0.224,107 0.485,108 0.723,109 0.869,110 0.881,111 0.881,112 3.266,113 1.101,114 -4.63,115 -4.55,116 -4.28,121 36.8,122 3,123 6,125 1,127 3,129 1,144 3,145 2,146 1,161 1,176 12,179 1,180 6,183 2,185 1,187 15,192 5,197 1,200 13,206 8,211 3,214 7,219 8,224 3,227 5,231 1,232 4,237 3,239 4,244 5,249 3,251 5,255 1,256 3,259 1,264 6,277 9,281 937,282 16.979,283 16.979,284 16.979,285 16.979,286 16.979,287 16.139,288 22.483,289 10.188,290 17.297,291 13.235,292 13.235,293 13.235,294 13.235,295 13.235,296 11.855,297 28.055,298 4.735,299 13.69,300 4.495,301 2.934,302 1.509,303 0.636,304 0.566,305 0.566,306 3.946,311 1,312 1,313 645,314 4.062,317 100.411,318 57.937,320 81.025,321 86.91,324 121.638,325 1.846,326 18.078,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 53,338 304,339 4.78,340 3.899,341 7.933,342 4.675,343 3.685,344 4.16,345 2.186,346 14.943,347 3.652,348 3.988,349 3.662,350 6.169,351 3.648,352 2.696,353 3.314,354 0.8,355 8.716,356 2.571,357 3.669,358 2.858,359 5.67,360 3.363,361 2.426,362 2.875,363 0.366,364 7.464,365 2.255,366 3.35,367 2.593,368 5.407,369 3.209,370 2.241,371 2.52,373 7.008,374 2.156,375 3.299,376 2.394,377 4.802,378 2.966,379 1.993,380 2.388,382 5.418,383 1.927,384 2.797,385 1.875,386 4.66,387 2.756,388 1.758,389 1.795,391 4.059,392 1.749,393 2.612,394 1.521,395 4.149,396 2.333,397 1.357,398 1.646,400 3.492,401 1.321,402 2.3,403 1.461,404 3.773,405 2.215,406 1.227,407 1.289,409 2.988,410 1.208,411 2.269,412 1.167,413 3.332,414 2.112,415 1.12,416 1.25,418 2.309,419 1.11,420 1.735,421 0.901,422 3.251,423 1.654,424 0.675,425 0.705,427 1.382,428 0.659,429 1.578,430 0.788,431 2.895,432 1.501,433 0.533,434 0.546,436 0.934,437 0.513,438 1.385,439 0.683,440 2.78,441 1.182,442 0.209,443 0.23,445 0.398,446 0.202,447 0.961,448 0.295,449 2.683,450 0.784,451 -0.167,452 -0.175,454 -0.327,455 -0.158,456 0.815,457 -0.032,458 2.413,459 0.656,460 -0.348,461 -0.388,463 -0.671,464 -0.345,465 0.613,466 -0.349,467 2.343,468 0.319,469 -0.671,470 -0.751,472 -1.763,473 -0.658,474 11.967,475 0.479,476 0.592,477 0.024,478 23.5,479 0.94,480 8,481 0.32,482 15.5,483 0.62,484 28.072,485 1.123,486 29.433,487 0.516,488 14.779,489 0.591,490 3.762,491 0.15,492 8.318,493 0.333,494 0.153,495 0.042,496 0.242,501 0.794,502 1.474,503 1.005,504 1.307,505 0.617,506 1.193,507 0.623,508 1.098,509 0.952,510 1.045,511 0.385,512 1.027,513 0.963,514 1.043,515 1.002,516 1.023,517 0.666,518 1.012,519 0.937,520 1.177,521 1.077,522 1.18,523 0.868,524 1.15,525 1.098,526 0.951,527 0.886,528 0.923,529 1.138,530 0.887,531 1.764,532 0.915,533 1.095,534 0.911,535 1.534,536 0.938,537 1.493,538 1.097,539 0.982,540 1.016,541 1.702,542 0.957,543 2.555,544 0.86,545 1.369,546 0.892,547 3.408,548 0.993,549 5.5,550 0.094,551 3.333,552 2.396,553 1.366,554 0.663,555 0.497,556 0.322,557 0.201,558 0.135,559 7214,560 12639,561 2.028,562 56.1,563 12,564 10,567 1,569 9,572 1.676,573 1.887,574 3.492,575 -0.396,582 76.236,583 1.337,584 2.899,585 4.324,586 5.197,587 5.267,588 5.267,589 3.049,590 4.644,591 4.603,592 3.666,593 1099.73,594 7.944,595 13553.1,597 1,600 332.475,601 1.571,602 4.56,603 0.204,604 0.006,605 0.088,606 0.061,607 0.041,608 0.023,609 0.021,610 0.014,611 0.011,612 0.008,613 0.477,614 0.33,615 1,616 2.201,617 122.228,618 0.017,619 -0.139,620 0.062,621 -0.05,622 -0.009,623 0.001,624 0.307,625 0.085,626 0.085,627 0.054,628 0.25,629 0.048,630 -0.056,631 0.031,632 -0.002,633 0.018,634 0.009,635 0.017,636 -0.036,637 -0.158,638 -0.095,639 -0.153,640 0.004,641 -0.134,642 0.004,643 -0.031,644 0.095,645 0.009,646 0.003,647 0.056,648 -0.099,649 0.021,650 -0.044,651 0.026,652 -0.141,653 -0.002,654 -0.036,655 -0.127,656 0.056,657 -0.058,658 -0.054,660 -0.228,661 0.138,662 -0.22,663 0.014,664 -0.301,665 -0.09,666 2.002,667 5.01,668 0.48,669 26.173,670 0.984,671 1.134,672 3.396,673 11.53,674 0.62,675 3.332,676 3.664,677 3.97,678 4.277,679 4.489,680 4.615,681 4.787,682 4.868,683 4.852,684 4.868,685 6.713,686 0.568,687 344.55,688 3.332,689 4.875,690 5.74,691 6.645,692 7.547,693 8.472,694 9.395,695 10.332,696 11.267,697 12.211,698 3.5,701 1,705 1,715 3,720 3,722 6,737 1,741 57,743 7,744 1,745 27,747 59,748 21,749 6,750 3,751 3,756 3,757 6,763 3,764 1,766 1,767 3,770 7,772 7,773 14,777 1,782 1,786 1,793 32,794 4,795 1,796 4,802 2,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 3,868 25,876 9,877 1,878 1,880 1,881 1,882 1,893 3.5,896 1,898 1,901 13.25,902 10.867,903 5.681,904 4.149,907 1.288,908 1.176,909 0.928,910 5.932,911 8.585,912 3.466,913 3.942,914 4.41,915 4.923,916 5.398,917 5.648,918 6.016,919 6.271,920 6.329,921 6.416,922 1,923 39,924 9.339,926 3.896,927 0.026,929 7.49,931 18.702,933 15.843,936 1.99,937 49.75,938 0.001,939 1,940 1,941 364.904,942 94.806,943 21.135,945 36.145,948 94.806,949 401.049,950 21.135,951 26.476,952 39.535,953 28.429,954 25.145,955 25.739,956 6.763,957 364.904,959 364.904,960 115.941,961 36.145,964 258.964,965 142.085,968 69.135,969 46.806,972 364.904,973 57.28,974 94.806,977 364.904,978 39.901,979 58.029,980 18.011,981 36.145,982 364.904,983 57.28,984 94.806,986 0.57,987 0.337,988 0.183,989 0.099,990 18,991 8,992 0.136,993 8,994 2,995 1.333,996 3.723,997 201.569,998 0.333,999 12,1000 116.096,1005 18.567,1006 7.988,1007 3.814,1009 57.28,1010 6.192,1015 3.46,1017 18.011,1018 516.99,1019 31,1024 12.01,1028 -0.335,1031 56.112,1032 64.643,1034 0.229,1035 0.497,1036 0.741,1037 0.891,1038 0.903,1039 0.903,1040 4.741,1041 1.227,1042 5.759,1043 3.492,1044 4.344,1045 4.625,1046 2.351,1047 6.673,1048 4.283,1049 5.914,1050 1.12,1051 7.386,1052 2.988,1053 4.111,1054 4.494,1055 1.847,1056 8.069,1057 4.039,1058 7.235,1059 0.675,1060 9.143,1061 2.309,1062 6.061,1063 6.665,1064 3.504,1065 11.224,1066 5.958,1067 8.6,1068 0.533,1069 10.988,1070 1.382,1071 6.735,1072 7.368,1073 3.598,1074 13.535,1075 6.639,1076 10.009,1077 0.209,1078 12.894,1079 0.934,1080 8.205,1081 9.081,1082 4.907,1083 16.344,1084 8.091,1085 11.45,1086 -0.167,1087 14.843,1088 0.398,1089 9.269,1090 10.151,1091 5.29,1092 18.938,1093 9.165,1094 12.916,1095 -0.348,1096 16.824,1097 -0.327,1098 10.601,1099 11.699,1100 6.387,1101 21.668,1102 10.489,1103 3.685,1104 -0.671,1105 18.829,1106 -0.671,1107 11.817,1108 12.943,1109 6.93,1110 24.341,1111 11.709,1112 2.696,1113 14.943,1114 20.852,1115 -1.763,1116 13.118,1117 14.424,1118 7.902,1119 27.053,1120 13.004,1121 2.426,1122 8.716,1123 22.887,1124 4.16,1125 14.389,1126 15.754,1127 8.539,1128 29.748,1129 14.273,1130 2.241,1131 7.464,1132 24.931,1133 3.314,1134 15.686,1135 17.205,1136 9.436,1137 32.454,1138 15.565,1139 1.993,1140 7.008,1141 26.983,1142 2.875,1143 16.977,1144 18.579,1145 10.13,1146 35.156,1147 16.85,1148 1.758,1149 5.418,1150 29.039,1151 2.52,1152 18.277,1153 20.016,1154 10.981,1155 37.861,1156 18.143,1157 1.357,1158 4.059,1159 31.099,1160 2.388,1161 19.575,1162 21.413,1163 11.71,1164 40.564,1165 19.434,1166 7202,1167 9681,1168 17.682,1169 35.341,1170 39.972,1171 40.988,1172 42.158,1173 39.851,1174 39.841,1175 45.439,1176 6.705,1177 118.221,1178 38.645,1179 5.743,1180 5.899,1181 7.886,1182 5.753,1183 5.685,1184 7.16,1185 3.889,1186 23.402,1187 5.652,1188 12.991,1189 1.48,1190 1.518,1191 1.561,1192 1.476,1193 1.476,1194 1.683,1195 0.248,1196 4.379,1197 1.431,1198 4.099,1199 4.132,1200 4.037,1201 4.028,1202 7.435,1203 4.026,1204 3.771,1205 3.837,1206 3.656,1207 3.625,1208 4.819,1209 3.611,1210 3.712,1211 3.76,1212 3.584,1213 3.577,1214 4.418,1215 3.578,1216 3.53,1217 3.6,1218 3.401,1219 3.314,1220 4.252,1221 3.317,1222 3.404,1223 3.486,1224 3.205,1225 3.24,1226 4.135,1227 3.219,1228 3.283,1229 3.335,1230 3.116,1231 3.076,1232 4.008,1233 3.081,1234 3.134,1235 3.212,1236 2.959,1237 2.937,1238 3.931,1239 2.943,1240 3.076,1241 3.184,1242 2.819,1243 2.881,1244 3.651,1245 2.852,1246 0.177,1247 0.144,1248 0.294,1249 0.173,1250 0.136,1251 4.78,1252 0.154,1253 3.899,1254 0.081,1255 7.933,1256 0.553,1257 4.675,1258 0.135,1259 3.685,1260 4.16,1261 2.186,1262 14.943,1263 3.652,1264 1.911,1265 1.893,1266 2.025,1267 1.997,1268 1.353,1269 2.002,1270 1.764,1271 1.698,1272 2.011,1273 1.936,1274 1.312,1275 1.967,1276 1.677,1277 1.623,1278 1.892,1279 1.863,1280 1.218,1281 1.876,1282 1.591,1283 1.52,1284 1.843,1285 1.774,1286 1.072,1287 1.798,1288 1.499,1289 1.423,1290 1.794,1291 1.733,1292 1.034,1293 1.755,1294 1.284,1295 1.214,1296 1.606,1297 1.517,1298 0.828,1299 1.546,1300 1.181,1301 1.118,1302 1.481,1303 1.465,1304 0.64,1305 1.477,1306 1.075,1307 0.986,1308 1.444,1309 1.314,1310 0.596,1311 1.364,1312 4.007,1314 5.333,1315 3.045,1316 6.862,1317 5.587,1318 8.501,1319 7.832,1320 10.212,1322 6.801,1328 9.858,1329 2.86,1330 5.529,1332 0.593,1333 2.587,1334 0.196,1340 32.374,1341 76.236,1342 165.24,1343 246.461,1344 296.21,1345 300.21,1346 300.21,1347 44.424,1348 7.297,1349 41.57,1350 41.57,1351 16,1352 12.706,1353 3,1354 2.322,1355 42.151,1356 99,1357 131,1358 0.211,1359 199.901,1360 352.9,1361 479.518,1362 13638,1364 17.864,1365 0.715,1366 0.637,1367 17.864,1368 15.937,1369 12.08,1370 0.447,1371 0.367,1372 9.821,1373 11.711,1374 9.503,1375 7.945,1376 12.08,1377 9.913,1378 10.644,1379 0.28,1380 0.203,1381 10.644,1382 7.712,1383 9.036,1384 0.174,1385 0.118,1386 9.036,1387 6.121,1388 7.566,1389 0.107,1390 0.064,1391 7.566,1392 4.571,1393 6.001,1394 0.068,1395 0.036,1396 6.001,1397 3.17,1398 0.337,1399 74.902,1400 0.238,1401 24.622,1402 0.563,1403 130,1404 297.449,1405 140.889,1406 284.739,1407 395.17,1408 268,1409 155,1410 297.064,1411 164.812,1412 298.493,1413 442.25,1414 282,1415 7.523}
{0 CHEMBL413793,1 1.376,2 13.586,3 5.019,4 25.191,5 115.619,6 7.413,7 0.563,8 4.039,9 4.138,10 3.613,11 3.635,12 5.15,13 3.608,14 4.552,15 4.705,16 3.946,17 4.006,18 5.636,19 3.965,20 4.754,21 4.913,22 4.009,23 4.158,24 5.786,25 4.083,26 4.909,27 5.14,28 3.929,29 4.126,30 5.889,31 4.021,32 4.816,33 5.03,34 3.85,35 4.058,36 5.842,37 3.96,38 4.768,39 4.996,40 3.706,41 3.989,42 5.764,43 3.867,44 4.59,45 4.823,46 3.559,47 3.881,48 5.502,49 3.744,50 4.514,51 4.742,52 3.471,53 3.736,54 5.494,55 3.616,56 0.013,57 0.649,58 10.208,59 4.973,60 6.934,61 6.214,62 0.265,63 1.088,64 19.29,65 7.927,66 25.678,67 10.046,68 0.101,69 1.303,70 23.368,71 10.486,72 21.038,73 13.436,74 0.337,75 1.52,76 30.716,77 12.094,78 42.745,79 16.26,80 0.236,81 1.37,82 27.504,83 10.985,84 42.623,85 14.36,86 0.377,87 1.278,88 27.022,89 10.805,90 49.723,91 14.237,92 0.1,93 1.106,94 21.576,95 9.415,96 25.021,97 12.93,98 0.314,99 1.005,100 20.873,101 8.192,102 38.781,103 10.883,104 11,105 44,106 0.228,107 0.522,108 0.682,109 0.793,110 0.83,111 0.836,112 3.407,113 0.896,114 -5.59,115 -5.46,116 -5.1,121 48.1,126 2,127 2,137 1,138 1,144 12,145 4,146 2,160 1,176 17,179 1,180 8,187 20,192 10,200 15,205 1,206 12,214 9,219 8,227 11,231 1,232 5,239 15,244 2,251 15,255 2,256 3,264 11,269 3,277 7,281 1382,282 19.834,283 19.834,284 19.834,285 19.834,286 19.834,287 17.399,288 20.509,289 11.774,290 20.203,291 15.77,292 15.77,293 15.77,294 15.77,295 15.77,296 12.032,297 27.125,298 5.581,299 16.254,300 4.325,301 2.545,302 1.578,303 0.904,304 0.683,305 0.644,306 4.107,311 1,312 1,313 858,314 3.162,318 368.148,322 141.202,325 2.221,326 20.191,329 0.75,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.84,337 61.5,338 394,339 4.476,340 3.727,341 6.535,342 4.099,343 3.117,344 4.086,345 1.674,346 10.311,347 3.059,348 4.149,349 3.043,350 6.09,351 3.755,352 2.775,353 3.757,354 0.995,355 8.875,356 2.715,357 3.944,358 3.007,359 5.576,360 3.629,361 2.659,362 3.457,363 0.86,364 7.656,365 2.584,366 3.837,367 2.731,368 5.35,369 3.443,370 2.45,371 3.283,372 0.359,373 6.981,374 2.432,375 3.514,376 2.582,377 5.221,378 3.153,379 2.212,380 2.813,382 6.502,383 2.074,384 3.347,385 2.498,386 5.021,387 2.991,388 2.022,389 2.535,391 5.703,392 1.945,393 3.135,394 2.12,395 4.645,396 2.809,397 1.848,398 2.259,400 5.01,401 1.762,402 2.952,403 1.771,404 4.486,405 2.509,406 1.536,407 2.096,409 4.419,410 1.484,411 2.771,412 1.494,413 3.667,414 2.371,415 1.382,416 1.849,418 2.993,419 1.364,420 2.5,421 1.239,422 3.566,423 2,424 1,425 1.5,427 2.358,428 1,429 2.5,430 1.03,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.499,439 1,440 3.247,441 1.912,442 0.924,443 1.356,445 2.136,446 0.905,447 1.704,448 1,449 2.991,450 1.404,451 0.515,452 0.584,454 0.88,455 0.451,456 1.357,457 0.735,458 2.858,459 1.078,460 0.113,461 0.133,463 0.269,464 0.109,465 1.248,466 0.356,467 2.671,468 0.866,469 -0.117,470 -0.146,472 -0.281,473 -0.114,474 13.9,475 0.479,476 0.639,477 0.022,478 40,479 1.379,480 22,481 0.759,482 18,483 0.621,484 20.965,485 0.723,486 29.9,487 0.575,488 30.4,489 1.048,490 8.339,491 0.288,492 5.779,493 0.199,494 0.096,496 0.317,501 0.755,502 1.163,503 0.768,504 1.042,505 0.616,506 0.928,507 1.029,508 0.842,509 0.893,510 0.813,511 0.614,512 0.816,513 0.897,514 1.26,515 1.034,516 1.22,517 0.748,518 1.16,519 0.855,520 1.005,521 0.917,522 0.97,523 0.865,524 0.95,525 1.113,526 1.021,527 1.026,528 1.023,529 1.277,530 1.011,531 1.022,532 0.88,533 1.019,534 0.916,535 1.177,536 0.962,537 0.475,538 1.081,539 0.923,540 1.092,541 0.744,542 1.075,543 0.999,544 0.878,545 1.03,546 0.908,547 1.526,548 0.967,549 6,550 0.165,551 2.667,552 1.75,553 1.791,554 0.938,555 0.643,556 0.252,557 0.27,558 0.158,559 12250,560 30183,561 2.111,562 44.2,564 23,572 1.713,573 2,574 3.698,575 -0.853,582 71.53,583 1.376,584 3.155,585 4.123,586 4.796,587 5.018,588 5.056,589 3.28,590 4.418,591 4.825,592 3.866,593 1569.8,594 8.373,595 22054.5,597 1,600 296.423,601 1.314,602 4.8,603 0.188,604 0.008,605 0.061,606 0.039,607 0.045,608 0.025,609 0.02,610 0.009,611 0.011,612 0.007,613 0.412,614 0.33,615 0.88,616 0.674,617 150.212,618 0.008,619 -0.119,620 0.065,621 -0.056,622 -0.041,623 -0.001,624 0.027,625 0.225,626 0.031,627 0.145,628 0.093,629 0.106,630 -0.034,631 -0.265,632 -0.128,633 -0.236,635 -0.203,636 0.088,637 -0.011,638 0.078,639 0.003,640 0.082,641 0.035,642 -0.073,643 -0.032,644 -0.037,645 -0.05,646 -0.031,647 -0.038,648 0.015,649 0.074,650 -0.015,651 0.073,652 0.006,653 0.032,654 0.053,655 -0.119,656 0.017,657 -0.09,658 0.009,659 -0.05,660 0.038,661 0.103,662 -0.026,663 0.069,664 -0.152,665 0.017,666 2.014,667 5.483,668 0.759,669 33.251,670 0.996,671 1.109,672 4.36,673 19.011,674 0.687,675 3.497,676 3.807,677 4.06,678 4.317,679 4.575,680 4.615,681 4.754,682 4.89,683 4.97,684 4.963,685 7.675,686 0.653,687 385.49,688 3.497,689 5.03,690 5.872,691 6.742,692 7.599,693 8.474,694 9.339,695 10.217,696 11.088,697 11.968,698 1.9,701 1,715 12,720 6,722 18,739 1,741 52,743 20,744 3,745 32,747 55,748 25,749 18,750 6,751 12,752 3,756 4,757 5,772 21,773 4,777 2,782 1,784 1,786 2,793 23,794 4,796 4,802 1,808 0.75,809 3,829 4,833 1,846 1,849 1,850 1,855 1,859 3,864 2,868 29,876 2,878 2,881 1,893 5.8,896 1,898 2,901 14.5,902 10.033,903 6.417,904 2.949,907 3.655,908 1.472,909 0.994,910 5.68,911 11.406,912 3.784,913 4.363,914 4.922,915 5.472,916 6.037,917 6.235,918 6.609,919 7.015,920 7.347,921 7.59,922 1,923 45,924 10.704,926 4.489,927 0.026,929 7.649,931 20.59,933 16.705,936 2.149,937 62.333,940 1,941 270.735,942 180.288,943 3.124,945 47.145,948 180.288,949 317.88,950 3.124,951 19.279,952 4.211,953 123.191,954 32.336,955 51.539,957 270.735,959 270.735,960 183.412,961 47.145,964 270.735,965 47.145,968 7.336,969 166.6,970 9.476,972 270.735,973 50.269,974 180.288,977 270.735,978 37.817,979 145.595,981 47.145,982 270.735,983 50.269,984 180.288,986 0.576,987 0.334,988 0.181,989 0.102,990 21,991 9,992 0.109,993 6,994 1,995 1.091,996 4.184,997 248.664,998 0.091,999 22,1000 132.881,1005 19.285,1006 8.541,1007 4.519,1009 50.269,1010 23.984,1015 5.395,1018 501.292,1019 43,1024 12.483,1026 1.872,1028 0.214,1031 51.803,1032 57.694,1034 0.241,1035 0.554,1036 0.723,1037 0.841,1038 0.88,1039 0.887,1040 5.007,1041 1.536,1042 5.844,1043 5.01,1044 4.489,1045 5.05,1046 2.316,1047 6.621,1048 4.435,1049 6.204,1050 1.382,1051 7.378,1052 4.419,1053 4.007,1054 4.718,1055 0.325,1056 7.424,1057 3.927,1058 7.497,1059 1,1060 9.008,1061 2.993,1062 6.052,1063 7.19,1064 2.958,1065 10.506,1066 5.953,1067 8.821,1068 1,1069 10.694,1070 2.358,1071 6.365,1072 7.639,1073 0.504,1074 12.123,1075 6.241,1076 10.175,1077 0.924,1078 12.415,1079 2.275,1080 7.871,1081 9.583,1082 3.852,1083 14.716,1084 7.735,1085 11.549,1086 0.515,1087 14.162,1088 2.136,1089 8.571,1090 10.424,1091 0.585,1092 16.702,1093 8.412,1094 12.941,1095 0.113,1096 15.928,1097 0.88,1098 9.845,1099 12.115,1100 4.838,1101 19.117,1102 9.673,1103 3.117,1104 -0.117,1105 17.709,1106 0.269,1107 10.746,1108 13.178,1109 0.622,1110 21.279,1111 10.553,1112 2.775,1113 10.311,1114 19.503,1115 -0.281,1116 11.917,1117 14.732,1118 5.855,1119 23.627,1120 11.71,1121 2.659,1122 8.875,1123 21.306,1124 4.086,1125 12.922,1126 15.925,1127 0.639,1128 25.872,1129 12.694,1130 2.45,1131 7.656,1132 23.119,1133 3.757,1134 14.052,1135 17.404,1136 6.881,1137 28.199,1138 13.809,1139 2.212,1140 6.981,1141 24.939,1142 3.457,1143 15.11,1144 18.676,1145 0.646,1146 30.483,1147 14.848,1148 2.022,1149 6.502,1150 26.766,1151 3.283,1152 16.226,1153 20.113,1154 7.91,1155 32.804,1156 15.948,1157 1.848,1158 5.703,1159 28.598,1160 2.813,1161 17.313,1162 21.433,1163 0.648,1164 35.109,1165 17.016,1166 11547,1167 18313,1168 21.671,1169 35.745,1170 47.75,1171 48.789,1172 48.334,1173 47.094,1174 47.103,1175 62.411,1176 7.776,1177 132.734,1178 45.766,1179 5.369,1180 5.727,1181 6.337,1182 5.189,1183 5.117,1184 7.086,1185 3.349,1186 17.143,1187 5.059,1188 12.367,1189 1.492,1190 1.525,1191 1.51,1192 1.472,1193 1.472,1194 1.95,1195 0.243,1196 4.148,1197 1.43,1198 4.044,1199 4.06,1200 4.001,1201 3.975,1202 7.433,1203 3.977,1204 3.922,1205 3.953,1206 3.853,1207 3.852,1208 4.922,1209 3.847,1210 3.859,1211 3.883,1212 3.797,1213 3.8,1214 4.765,1215 3.797,1216 3.556,1217 3.611,1218 3.478,1219 3.402,1220 4.717,1221 3.413,1222 3.422,1223 3.457,1224 3.313,1225 3.228,1226 4.51,1227 3.238,1228 3.191,1229 3.255,1230 3.023,1231 2.936,1232 4.193,1233 2.941,1234 3.001,1235 3.059,1236 2.9,1237 2.847,1238 4.068,1239 2.844,1240 2.956,1241 3.018,1242 2.772,1243 2.771,1244 3.912,1245 2.77,1246 0.14,1247 0.116,1248 0.204,1249 0.128,1250 0.097,1251 4.476,1252 0.128,1253 3.727,1254 0.052,1255 6.535,1256 0.322,1257 4.099,1258 0.096,1259 3.117,1260 4.086,1261 1.674,1262 10.311,1263 3.059,1264 1.994,1265 1.979,1266 2.084,1267 2.079,1268 1.245,1269 2.079,1270 1.916,1271 1.887,1272 2.038,1273 2.015,1274 1.162,1275 2.023,1276 1.857,1277 1.836,1278 1.963,1279 1.942,1280 1.082,1281 1.952,1282 1.513,1283 1.466,1284 1.734,1285 1.721,1286 0.866,1287 1.729,1288 1.364,1289 1.317,1290 1.593,1291 1.591,1292 0.646,1293 1.584,1294 1.155,1295 1.08,1296 1.471,1297 1.421,1298 0.562,1299 1.437,1300 1.008,1301 0.939,1302 1.363,1303 1.222,1304 0.501,1305 1.277,1306 0.934,1307 0.877,1308 1.251,1309 1.174,1310 0.404,1311 1.194,1312 4.174,1314 5.485,1316 6.995,1318 8.594,1320 10.241,1322 3.694,1328 1.724,1330 10.7,1333 2.266,1340 33.961,1341 71.53,1342 164.078,1343 214.384,1344 249.403,1345 260.913,1346 262.913,1347 43.02,1348 7.751,1349 42.68,1350 42.68,1351 24,1352 12.506,1353 4.392,1354 3.585,1355 45.07,1356 134,1357 130,1358 0.163,1359 207.587,1360 367.25,1361 498.272,1362 26806,1364 20.217,1365 0.697,1366 0.572,1367 20.217,1368 16.592,1369 14.119,1370 0.441,1371 0.299,1372 9.439,1373 13.67,1374 9.121,1375 7.636,1376 14.119,1377 9.559,1378 12.581,1379 0.286,1380 0.164,1381 12.581,1382 7.206,1383 10.499,1384 0.184,1385 0.087,1386 10.499,1387 4.956,1388 8.794,1389 0.119,1390 0.047,1391 8.794,1392 3.472,1393 7.311,1394 0.076,1395 0.025,1396 7.311,1397 2.374,1398 0.264,1399 87.917,1400 0.215,1401 28.131,1402 0.427,1403 152,1404 426.852,1405 163.159,1406 412.85,1407 567.19,1408 388,1409 177,1410 415.215,1411 188.468,1412 427.407,1413 620.4,1414 398,1415 6.05}
{0 CHEMBL413794,1 1.376,2 12.241,3 5.019,4 25.191,5 115.619,6 7.413,7 0.563,8 4.039,9 4.138,10 3.613,11 3.635,12 5.15,13 3.608,14 4.552,15 4.705,16 3.946,17 4.006,18 5.636,19 3.965,20 4.754,21 4.913,22 4.009,23 4.158,24 5.786,25 4.083,26 4.908,27 5.14,28 3.938,29 4.133,30 5.871,31 4.033,32 4.82,33 5.021,34 3.9,35 4.096,36 5.861,37 4,38 4.818,39 5.048,40 3.815,41 4.057,42 5.773,43 3.944,44 4.733,45 4.951,46 3.736,47 3.977,48 5.741,49 3.864,50 4.598,51 4.805,52 3.669,53 3.897,54 5.582,55 3.79,56 0.013,57 0.649,58 10.208,59 4.973,60 6.934,61 6.214,62 0.265,63 1.088,64 19.29,65 7.927,66 25.789,67 10.046,68 0.101,69 1.303,70 23.368,71 10.486,72 21.799,73 13.436,74 0.249,75 1.521,76 30.678,77 12.089,78 39.465,79 16.168,80 0.323,81 1.378,82 27.153,83 11.001,84 43.054,85 14.355,86 0.199,87 1.373,88 27.792,89 11.391,90 37.487,91 15.255,92 0.47,93 1.244,94 25.862,95 10.218,96 49.13,97 13.449,98 0.107,99 1.1,100 21.357,101 9.234,102 24.129,103 12.259,104 11,105 44,106 0.228,107 0.522,108 0.691,109 0.813,110 0.853,111 0.875,112 3.408,113 0.896,114 -5.59,115 -5.46,116 -5.1,121 48.1,126 2,127 2,137 1,138 1,144 12,145 4,146 2,160 1,176 17,179 1,180 8,187 19,192 12,200 15,206 11,214 9,218 1,219 10,227 11,232 4,239 14,243 3,244 3,251 16,256 3,264 14,269 4,277 10,281 1410,282 19.834,283 19.834,284 19.834,285 19.834,286 19.834,287 17.399,288 20.509,289 11.814,290 20.203,291 15.787,292 15.787,293 15.787,294 15.787,295 15.787,296 12.038,297 25.962,298 5.608,299 16.273,300 4.325,301 2.545,302 1.525,303 0.789,304 0.544,305 0.414,306 4.107,311 1,312 1,313 772,314 3.162,318 348.395,322 130.649,325 1.922,326 20.461,329 0.75,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.84,337 61.5,338 355,339 4.482,340 3.727,341 6.542,342 4.106,343 3.123,344 4.095,345 1.674,346 10.344,347 3.068,348 4.161,349 3.05,350 6.096,351 3.772,352 2.792,353 3.775,354 0.995,355 8.914,356 2.731,357 3.938,358 3,359 5.585,360 3.617,361 2.645,362 3.456,363 0.86,364 7.66,365 2.575,366 3.824,367 2.756,368 5.378,369 3.431,370 2.441,371 3.245,372 0.359,373 7.04,374 2.414,375 3.51,376 2.603,377 5.229,378 3.151,379 2.216,380 2.802,382 6.531,383 2.06,384 3.299,385 2.457,386 4.96,387 2.964,388 2.002,389 2.464,391 5.562,392 1.913,393 3.132,394 2.094,395 4.639,396 2.765,397 1.794,398 2.26,400 4.961,401 1.726,402 2.97,403 1.715,404 4.461,405 2.542,406 1.556,407 2.13,409 4.373,410 1.528,411 2.779,412 1.493,413 3.67,414 2.372,415 1.382,416 1.867,418 2.996,419 1.366,420 2.649,421 1.291,422 3.565,423 2.182,424 1.183,425 1.704,427 2.66,428 1.18,429 2.5,430 1.178,431 3.465,432 2,433 1,434 1.5,436 2.155,437 1,438 2.403,439 1,440 3.247,441 1.807,442 0.83,443 1.224,445 2.136,446 0.805,447 1.749,448 0.937,449 2.922,450 1.41,451 0.524,452 0.608,454 0.878,455 0.457,456 1.265,457 0.761,458 2.868,459 0.973,465 1.217,466 0.285,467 2.753,468 0.889,469 -0.088,470 -0.113,472 -0.184,473 -0.084,474 13.9,475 0.479,476 0.639,477 0.022,478 40,479 1.379,480 22,481 0.759,482 18,483 0.621,484 21.329,485 0.735,486 29.9,487 0.575,488 30.777,489 1.061,490 8.339,491 0.288,492 5.779,493 0.199,494 0.096,496 0.317,501 0.755,502 1.163,503 0.768,504 1.042,505 0.616,506 0.928,507 1.029,508 0.842,509 0.893,510 0.813,511 0.613,512 0.816,513 0.897,514 1.26,515 1.034,516 1.22,517 0.748,518 1.16,519 0.964,520 0.978,521 0.904,522 0.936,523 0.887,524 0.912,525 1.002,526 1.063,527 1.045,528 1.051,529 1.267,530 1.051,531 0.857,532 1,533 0.929,534 1.005,535 1.111,536 0.981,537 0.979,538 0.857,539 1.03,540 0.895,541 1.087,542 0.962,543 0.762,544 1.149,545 0.972,546 1.151,547 0.774,548 1.103,549 6,550 0.132,551 2.444,552 1.875,553 1.711,554 0.882,555 0.667,556 0.349,557 0.25,558 0.194,559 11454,560 28303,561 2.111,562 44.2,564 23,572 1.718,573 2,574 3.584,575 -0.853,582 71.53,583 1.376,584 3.155,585 4.176,586 4.912,587 5.157,588 5.287,589 3.069,590 4.582,591 4.828,592 3.732,593 1515.25,594 8.403,595 20788.5,597 1,600 296.423,601 1.314,602 4.8,603 0.188,604 0.006,605 0.056,606 0.042,607 0.042,608 0.023,609 0.019,610 0.011,611 0.008,612 0.008,613 0.4,614 0.33,615 0.88,616 0.674,617 148.442,618 0.008,619 -0.119,620 0.065,621 -0.056,622 -0.041,623 -0.001,624 0.027,625 0.225,626 0.031,627 0.145,628 0.094,629 0.106,630 -0.034,631 -0.265,632 -0.128,633 -0.236,635 -0.203,636 -0.022,637 0.017,638 0.092,639 0.037,640 0.057,641 0.074,642 0.03,643 -0.07,644 -0.071,645 -0.077,646 -0.032,647 -0.086,648 -0.003,649 -0.03,650 0.053,651 -0.018,652 -0.028,653 0.019,654 0.118,655 0.119,656 -0.029,657 0.084,658 0.009,659 0.016,660 0.018,661 -0.184,662 -0.025,663 -0.158,664 0.04,665 -0.108,666 2.002,667 5.554,668 0.759,669 29.762,670 0.996,671 1.109,672 4.36,673 19.011,674 0.687,675 3.497,676 3.807,677 4.06,678 4.331,679 4.585,680 4.635,681 4.771,682 4.898,683 4.97,684 5.004,685 7.09,686 0.653,687 385.49,688 3.497,689 5.03,690 5.872,691 6.744,692 7.602,693 8.48,694 9.347,695 10.228,696 11.099,697 11.983,698 1.9,701 1,715 12,720 6,722 18,739 1,741 52,743 20,744 3,745 32,747 55,748 25,749 18,750 6,751 12,752 3,756 4,757 5,772 21,773 4,777 2,782 1,784 1,786 2,793 23,794 4,796 4,802 1,808 0.75,809 3,829 4,833 1,846 1,849 1,850 1,855 1,859 3,864 2,868 29,876 2,878 2,881 1,893 5.8,896 1,898 2,901 14.5,902 10.033,903 6.417,904 2.949,907 3.727,908 1.481,909 0.994,910 5.68,911 11.478,912 3.784,913 4.363,914 4.922,915 5.481,916 6.048,917 6.231,918 6.622,919 7,920 7.341,921 7.616,922 1,923 45,924 10.706,926 4.491,927 0.026,929 7.649,931 20.59,933 16.705,936 2.149,937 62.333,940 1,941 270.735,942 180.288,943 3.124,945 47.145,948 180.288,949 317.88,950 3.124,951 19.279,952 4.211,953 123.191,954 32.336,955 51.539,957 270.735,959 270.735,960 183.412,961 47.145,964 270.735,965 47.145,968 7.336,969 166.6,970 9.476,972 270.735,973 50.269,974 180.288,977 270.735,978 37.817,979 145.595,981 47.145,982 270.735,983 50.269,984 180.288,986 0.575,987 0.333,988 0.184,989 0.104,990 21,991 9,992 0.109,993 6,994 1,995 1.091,996 4.119,997 252.686,998 0.091,999 22,1000 134.881,1005 19.285,1006 8.541,1007 4.519,1009 50.269,1010 23.865,1015 5.396,1018 501.292,1019 43,1024 12.554,1026 1.872,1028 0.218,1031 51.803,1032 57.694,1034 0.241,1035 0.554,1036 0.733,1037 0.862,1038 0.905,1039 0.927,1040 5.007,1041 1.556,1042 5.844,1043 4.961,1044 4.489,1045 5.05,1046 2.316,1047 6.624,1048 4.435,1049 6.204,1050 1.382,1051 7.378,1052 4.373,1053 4.007,1054 4.718,1055 0.325,1056 7.424,1057 3.927,1058 7.497,1059 1.183,1060 9.009,1061 2.996,1062 6.052,1063 7.19,1064 2.958,1065 10.517,1066 5.953,1067 8.821,1068 1,1069 10.695,1070 2.66,1071 6.365,1072 7.639,1073 0.504,1074 12.133,1075 6.241,1076 10.175,1077 0.83,1078 12.418,1079 2.155,1080 7.874,1081 9.585,1082 3.852,1083 14.736,1084 7.738,1085 11.55,1086 0.524,1087 14.166,1088 2.136,1089 8.577,1090 10.43,1091 0.585,1092 16.723,1093 8.419,1094 12.942,1096 15.933,1097 0.878,1098 9.852,1099 12.123,1100 4.838,1101 19.144,1102 9.683,1103 3.123,1104 -0.088,1105 17.716,1107 10.757,1108 13.192,1109 0.622,1110 21.308,1111 10.568,1112 2.792,1113 10.344,1114 19.511,1115 -0.184,1116 11.93,1117 14.746,1118 5.855,1119 23.661,1120 11.729,1121 2.645,1122 8.914,1123 21.316,1124 4.095,1125 12.939,1126 15.946,1127 0.639,1128 25.909,1129 12.719,1130 2.441,1131 7.66,1132 23.13,1133 3.775,1134 14.071,1135 17.425,1136 6.881,1137 28.239,1138 13.837,1139 2.216,1140 7.04,1141 24.952,1142 3.456,1143 15.132,1144 18.704,1145 0.646,1146 30.527,1147 14.88,1148 2.002,1149 6.531,1150 26.78,1151 3.245,1152 16.251,1153 20.142,1154 7.91,1155 32.851,1156 15.984,1157 1.794,1158 5.562,1159 28.614,1160 2.802,1161 17.34,1162 21.467,1163 0.648,1164 35.159,1165 17.056,1166 10833,1167 17203,1168 21.671,1169 35.745,1170 47.859,1171 48.817,1172 48.257,1173 46.968,1174 46.978,1175 62.258,1176 7.776,1177 132.42,1178 45.646,1179 5.376,1180 5.727,1181 6.344,1182 5.196,1183 5.123,1184 7.095,1185 3.349,1186 17.211,1187 5.068,1188 12.19,1189 1.496,1190 1.526,1191 1.508,1192 1.468,1193 1.468,1194 1.946,1195 0.243,1196 4.138,1197 1.426,1198 4.045,1199 4.061,1200 4.003,1201 3.976,1202 7.433,1203 3.979,1204 3.921,1205 3.952,1206 3.852,1207 3.851,1208 4.92,1209 3.846,1210 3.859,1211 3.883,1212 3.796,1213 3.799,1214 4.764,1215 3.797,1216 3.545,1217 3.604,1218 3.465,1219 3.385,1220 4.716,1221 3.396,1222 3.433,1223 3.464,1224 3.326,1225 3.247,1226 4.526,1227 3.255,1228 3.195,1229 3.262,1230 3.021,1231 2.943,1232 4.196,1233 2.95,1234 3.001,1235 3.068,1236 2.888,1237 2.883,1238 4.005,1239 2.865,1240 2.961,1241 3.036,1242 2.836,1243 2.761,1244 3.951,1245 2.773,1246 0.14,1247 0.116,1248 0.204,1249 0.128,1250 0.098,1251 4.482,1252 0.128,1253 3.727,1254 0.052,1255 6.542,1256 0.323,1257 4.106,1258 0.096,1259 3.123,1260 4.095,1261 1.674,1262 10.344,1263 3.068,1264 1.994,1265 1.98,1266 2.084,1267 2.08,1268 1.249,1269 2.08,1270 1.915,1271 1.886,1272 2.038,1273 2.014,1274 1.161,1275 2.022,1276 1.857,1277 1.835,1278 1.962,1279 1.942,1280 1.081,1281 1.952,1282 1.501,1283 1.45,1284 1.733,1285 1.716,1286 0.861,1287 1.726,1288 1.376,1289 1.333,1290 1.59,1291 1.595,1292 0.635,1293 1.584,1294 1.164,1295 1.09,1296 1.483,1297 1.427,1298 0.562,1299 1.447,1300 1.027,1301 0.965,1302 1.369,1303 1.224,1304 0.504,1305 1.28,1306 0.979,1307 0.884,1308 1.316,1309 1.2,1310 0.463,1311 1.243,1312 4.174,1314 5.485,1316 6.995,1318 8.596,1320 10.245,1322 3.715,1328 1.651,1330 10.81,1333 2.252,1340 33.961,1341 71.53,1342 164.078,1343 217.139,1344 255.403,1345 268.158,1346 274.913,1347 43.242,1348 7.751,1349 42.68,1350 42.68,1351 24,1352 12.519,1353 4.392,1354 3.585,1355 44.803,1356 122,1357 127,1358 0.176,1359 207.587,1360 367.25,1361 498.272,1362 26806,1364 20.217,1365 0.697,1366 0.572,1367 20.217,1368 16.592,1369 14.119,1370 0.441,1371 0.299,1372 9.439,1373 13.67,1374 9.121,1375 7.637,1376 14.119,1377 9.559,1378 12.593,1379 0.286,1380 0.164,1381 12.593,1382 7.21,1383 10.431,1384 0.183,1385 0.086,1386 10.431,1387 4.925,1388 8.878,1389 0.118,1390 0.047,1391 8.878,1392 3.53,1393 7.327,1394 0.076,1395 0.025,1396 7.327,1397 2.387,1398 0.279,1399 87.917,1400 0.215,1401 27.77,1402 0.474,1403 152,1404 426.852,1405 163.159,1406 412.915,1407 567.21,1408 388,1409 177,1410 415.215,1411 188.468,1412 427.541,1413 620.61,1414 398,1415 6.519}
{0 CHEMBL415675,1 1.539,2 9.333,3 4.495,4 20.205,5 94.461,6 7.381,7 0.231,8 3.92,9 4.04,10 3.478,11 3.497,12 4.919,13 3.446,14 4.523,15 4.708,16 3.886,17 3.923,18 5.477,19 3.844,20 4.833,21 5.067,22 3.951,23 4.024,24 5.871,25 3.922,26 4.803,27 5.036,28 3.825,29 3.921,30 5.88,31 3.837,32 4.69,33 4.901,34 3.785,35 3.872,36 5.88,37 3.793,38 4.743,39 4.974,40 3.821,41 3.951,42 5.77,43 3.841,44 4.81,45 5.045,46 3.715,47 3.958,48 5.841,49 3.826,50 4.73,51 4.978,52 3.521,53 3.878,54 5.686,55 3.704,56 0.006,57 0.651,58 9.895,59 4.632,60 4.552,61 6.246,62 0.143,63 1.111,64 20.303,65 8.109,66 18.394,67 11.255,68 0.348,69 1.359,70 31.85,71 10.315,72 50.898,73 14.494,74 0.394,75 1.289,76 31.071,77 9.153,78 61.468,79 12.658,80 0.461,81 1.178,82 25.531,83 8.381,84 82.934,85 11.481,86 0.322,87 1.231,88 28.019,89 9.768,90 53.595,91 13.45,92 0.375,93 1.236,94 31.525,95 10.757,96 67.452,97 14.519,98 0.312,99 1.137,100 28.019,101 10.253,102 61.366,103 13.895,104 20,105 37,106 0.266,107 0.54,108 0.711,109 0.811,110 0.811,111 0.811,112 3.229,113 1.053,114 -4.91,115 -4.81,116 -4.52,121 40.4,122 1,123 7,127 1,132 1,144 4,145 1,146 1,159 1,160 2,176 10,179 2,180 5,187 11,191 2,192 11,200 5,206 11,214 3,218 2,219 8,227 5,232 9,239 9,244 9,251 15,256 1,264 15,269 2,277 9,281 866,282 16.137,283 16.137,284 16.137,285 16.137,286 16.137,287 14.995,288 13.112,289 9.525,290 16.37,291 12.741,292 12.741,293 12.741,294 12.741,295 12.741,296 10.864,297 12.995,298 4.417,299 13.175,300 4.016,301 2.43,302 1.442,303 0.867,304 0.867,305 0.867,306 3.904,308 1,311 1,312 1,313 474,314 3.536,317 137.776,318 83.099,325 1.278,326 30.466,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 51.333,338 224,339 4.717,340 4.203,341 7.718,342 4.567,343 3.593,344 3.939,345 2.023,346 14.285,347 3.497,348 4.182,349 3.613,350 6.249,351 3.847,352 2.843,353 3.75,354 1.411,355 9.254,356 2.858,357 3.745,358 2.987,359 5.969,360 3.516,361 2.568,362 3.024,363 1.325,364 8.348,365 2.427,366 3.61,367 2.904,368 5.148,369 3.169,370 2.255,371 2.777,372 0.504,373 6.024,374 2.001,375 3.192,376 2.823,377 5.018,378 2.833,379 1.846,380 2.261,382 5.445,383 1.806,384 2.808,385 1.985,386 4.248,387 2.441,388 1.448,389 1.827,391 3.628,392 1.416,393 2.5,394 1.725,395 3.887,396 2.34,397 1.351,398 1.5,400 2.903,401 1.326,402 2.474,403 1.481,404 3.618,405 2.232,406 1.231,407 1.449,409 2.618,410 1.201,411 2.377,412 1.283,413 3.616,414 2,415 1,416 1.357,418 2.275,419 1,420 1.824,421 1,422 3.414,423 1.618,424 0.618,425 0.618,427 1.464,428 0.618,429 1.618,430 0.618,431 3.124,432 1.477,433 0.451,434 0.531,436 0.992,437 0.454,438 1.348,439 0.54,440 2.939,441 1.123,442 0.138,443 0.158,445 0.255,446 0.134,447 1.115,448 0.477,449 2.616,450 0.621,451 -0.242,452 -0.302,454 -0.529,455 -0.167,456 0.716,457 0.339,458 2.321,459 0.44,460 -0.542,461 -0.587,463 -1.346,464 -0.519,465 0.5,466 -0.374,467 2,468 0.191,469 -0.852,470 -0.986,472 -1.934,473 -0.861,474 11.681,475 0.487,476 0.618,477 0.026,478 25.5,479 1.063,480 10.5,481 0.438,482 15,483 0.625,484 24.199,485 1.008,486 26.719,487 0.568,488 17.608,489 0.734,490 4.351,491 0.181,492 7.204,493 0.3,494 0.161,495 0.043,496 0.248,501 0.557,502 1.367,503 0.672,504 1.083,505 0.496,506 1.022,507 0.552,508 1.234,509 0.692,510 1.023,511 0.516,512 0.995,513 0.938,514 1.093,515 0.87,516 0.97,517 0.896,518 0.942,519 1.554,520 0.991,521 0.966,522 0.882,523 1.545,524 0.904,525 1.355,526 1.013,527 0.821,528 0.887,529 1.427,530 0.956,531 0.939,532 0.994,533 0.755,534 0.961,535 0.974,536 0.969,537 1.216,538 0.961,539 0.932,540 1.011,541 1.449,542 1.024,543 1.117,544 0.97,545 0.884,546 0.977,547 1.341,548 1.076,549 5.5,550 0.075,551 3.556,552 2.236,553 1.352,554 1.028,555 0.615,556 0.334,557 0.196,558 0.131,559 5790,560 14970,561 2.03,562 48.9,563 11,564 6,568 2,569 4,572 1.675,573 1.882,574 3.175,575 -0.782,577 1,582 72.313,583 1.539,584 3.124,585 4.113,586 4.687,587 4.687,588 4.687,589 2.622,590 4.252,591 4.553,592 3.312,593 914.184,594 7.889,595 10610.5,597 1,599 1,600 261.066,601 1.601,602 4.498,603 0.212,604 0.009,605 0.096,606 0.06,607 0.041,608 0.032,609 0.019,610 0.012,611 0.009,612 0.009,613 0.499,614 0.33,615 1,616 1.195,617 112.725,618 0.002,619 -0.143,620 0.029,621 -0.033,622 0.001,623 0.002,624 0.121,625 -0.097,626 0.075,627 -0.034,628 0.047,629 -0.005,630 0.053,631 -0.056,632 0.034,633 -0.028,634 0.044,635 0.01,636 -0.217,637 0.048,638 -0.08,639 0.015,640 -0.148,641 0.002,642 -0.027,643 0.049,644 -0.065,645 0.013,646 0.061,647 -0.047,648 0.017,649 0.023,650 0.037,651 -0.013,652 0.051,653 -0.005,654 -0.096,655 -0.016,656 -0.072,657 -0.047,658 -0.111,659 -0.055,660 -0.142,661 -0.038,662 -0.08,663 -0.013,664 -0.161,665 -0.098,666 1.83,667 5.962,668 0.625,669 19.188,670 0.998,671 1.126,672 3.678,673 13.529,674 0.663,675 3.296,676 3.638,677 3.932,678 4.19,679 4.369,680 4.443,681 4.466,682 4.477,683 4.443,684 4.382,685 5.536,686 0.619,687 346.89,688 3.296,689 4.844,690 5.707,691 6.605,692 7.498,693 8.408,694 9.314,695 10.231,696 11.144,697 12.065,698 4.3,705 1,707 1,715 4,720 2,722 6,727 1,740 1,741 47,743 9,744 1,745 26,747 49,748 19,749 6,750 2,751 4,752 1,756 3,757 3,758 1,763 1,767 4,768 1,770 7,772 9,773 10,774 1,777 3,782 2,785 1,786 3,790 1,793 23,794 4,796 5,797 1,802 2,804 1,808 0.667,809 2,828 2,829 1,844 1,859 2,864 1,865 1,868 24,876 8,881 1,882 1,892 1,893 4.3,896 2,901 12.75,902 8.71,903 5.375,904 3.35,907 1.374,908 1.202,909 0.943,910 5.171,911 8.188,912 3.497,913 3.998,914 4.491,915 4.923,916 5.315,917 5.397,918 5.446,919 5.507,920 5.755,921 5.935,922 1,923 37,924 9.003,926 3.916,927 0.026,929 7.779,931 17.369,933 14.724,936 2.279,937 54.694,940 1,941 270.735,942 85.43,943 19.91,944 39.149,945 50.29,948 85.43,949 360.174,950 19.91,951 8.825,952 22.972,953 37.905,954 62.456,955 23.472,957 270.735,958 39.149,959 270.735,960 105.34,961 50.29,962 39.149,964 223.651,965 97.374,968 48.582,969 56.757,970 39.149,972 270.735,973 70.2,974 124.578,977 270.735,978 38.7,979 49.855,981 106.224,982 270.735,983 70.2,984 124.578,986 0.579,987 0.346,988 0.184,989 0.103,990 18,991 8,992 0.122,993 6,995 1.067,996 3.523,997 196.132,999 16,1000 102.039,1005 17.321,1006 7.165,1007 3.481,1009 70.2,1010 6.815,1015 1.174,1018 465.514,1019 32,1024 25.55,1027 4.8,1028 0.749,1031 46.902,1032 52.927,1034 0.277,1035 0.562,1036 0.74,1037 0.844,1038 0.844,1039 0.844,1040 4.766,1041 1.231,1042 5.733,1043 2.903,1044 4.317,1045 4.682,1046 2.724,1047 6.635,1048 4.258,1049 5.964,1050 1,1051 7.358,1052 2.618,1053 4.111,1054 4.543,1055 1.912,1056 8.019,1057 3.998,1058 7.292,1059 0.618,1060 9.106,1061 2.275,1062 6.038,1063 6.751,1064 3.561,1065 11.117,1066 5.926,1067 8.661,1068 0.451,1069 10.934,1070 1.464,1071 6.711,1072 7.419,1073 3.412,1074 13.377,1075 6.567,1076 10.069,1077 0.138,1078 12.817,1079 0.992,1080 8.154,1081 9.138,1082 4.634,1083 16.122,1084 7.998,1085 11.504,1086 -0.242,1087 14.738,1088 0.255,1089 9.187,1090 10.147,1091 4.862,1092 18.659,1093 9.007,1094 12.959,1095 -0.542,1096 16.688,1097 -0.529,1098 10.489,1099 11.68,1100 5.852,1101 21.332,1102 10.288,1103 3.593,1104 -0.852,1105 18.658,1106 -1.346,1107 11.666,1108 12.849,1109 6.298,1110 23.954,1111 11.439,1112 2.843,1113 14.285,1114 20.645,1115 -1.934,1116 12.934,1117 14.298,1118 7.158,1119 26.613,1120 12.682,1121 2.568,1122 9.254,1123 22.645,1124 3.939,1125 14.166,1126 15.549,1127 7.724,1128 29.26,1129 13.888,1130 2.255,1131 8.348,1132 24.653,1133 3.75,1134 15.431,1135 16.956,1136 8.512,1137 31.918,1138 15.125,1139 1.846,1140 6.024,1141 26.669,1142 3.024,1143 16.687,1144 18.252,1145 9.144,1146 34.573,1147 16.353,1148 1.448,1149 5.445,1150 28.691,1151 2.777,1152 17.955,1153 19.637,1154 9.893,1155 37.232,1156 17.592,1157 1.351,1158 3.628,1159 30.718,1160 2.261,1161 19.222,1162 20.958,1163 10.56,1164 39.889,1165 18.831,1166 5744,1167 9388,1168 16.989,1169 31.154,1170 39.252,1171 40.378,1172 41.591,1173 38.969,1174 38.682,1175 46.384,1176 10.527,1177 114.979,1178 37.476,1179 5.699,1180 6.203,1181 7.578,1182 5.621,1183 5.593,1184 6.939,1185 3.523,1186 22.259,1187 5.497,1188 12.227,1189 1.51,1190 1.553,1191 1.6,1192 1.499,1193 1.488,1194 1.784,1195 0.405,1196 4.422,1197 1.441,1198 4.024,1199 4.065,1200 4.019,1201 3.903,1202 7.431,1203 3.908,1204 3.903,1205 3.926,1206 3.926,1207 3.827,1208 7.422,1209 3.826,1210 3.682,1211 3.75,1212 3.557,1213 3.555,1214 4.932,1215 3.537,1216 3.532,1217 3.594,1218 3.483,1219 3.352,1220 4.648,1221 3.357,1222 3.292,1223 3.331,1224 3.307,1225 3.124,1226 4.278,1227 3.13,1228 3.089,1229 3.152,1230 2.996,1231 2.884,1232 4.144,1233 2.877,1234 2.869,1235 2.979,1236 2.908,1237 2.735,1238 4.035,1239 2.715,1240 2.854,1241 2.925,1242 2.687,1243 2.671,1244 3.674,1245 2.635,1246 0.181,1247 0.162,1248 0.297,1249 0.176,1250 0.138,1251 4.717,1252 0.151,1253 4.203,1254 0.078,1255 7.718,1256 0.549,1257 4.567,1258 0.135,1259 3.593,1260 3.939,1261 2.023,1262 14.285,1263 3.497,1264 1.906,1265 1.888,1266 1.997,1267 1.992,1268 1.279,1269 1.998,1270 1.731,1271 1.669,1272 1.974,1273 1.899,1274 1.211,1275 1.927,1276 1.627,1277 1.59,1278 1.86,1279 1.794,1280 1.175,1281 1.793,1282 1.577,1283 1.507,1284 1.795,1285 1.751,1286 1.102,1287 1.792,1288 1.463,1289 1.406,1290 1.669,1291 1.682,1292 0.863,1293 1.686,1294 1.22,1295 1.162,1296 1.518,1297 1.435,1298 0.721,1299 1.466,1300 0.899,1301 0.854,1302 1.181,1303 1.168,1304 0.268,1305 1.135,1306 0.886,1307 0.821,1308 1.114,1309 1.062,1310 0.218,1311 1.107,1312 3.97,1314 5.303,1315 3.045,1316 6.834,1317 5.476,1318 8.458,1319 7.644,1320 10.137,1322 2.117,1323 5.877,1328 6.556,1333 1.637,1334 -0.58,1340 29.095,1341 72.313,1342 146.845,1343 193.291,1344 220.311,1345 220.311,1346 220.311,1347 56.772,1348 6.815,1349 49.74,1350 49.74,1351 16,1352 12.575,1353 3.322,1354 2.807,1355 39.047,1356 76,1357 90,1358 0.247,1359 183.194,1360 328.23,1361 438.754,1362 6824,1363 2.1,1364 17.156,1365 0.715,1366 0.617,1367 17.656,1368 14.811,1369 11.554,1370 0.444,1371 0.351,1372 8.712,1373 10.972,1374 8.468,1375 7.009,1376 11.843,1377 9.129,1378 10.361,1379 0.28,1380 0.193,1381 10.77,1382 7.128,1383 8.919,1384 0.178,1385 0.104,1386 9.208,1387 5.202,1388 7.116,1389 0.109,1390 0.057,1391 7.283,1392 3.695,1393 5.553,1394 0.071,1395 0.031,1396 5.767,1397 2.4,1398 0.378,1399 74.575,1400 0.243,1401 23.133,1402 0.711,1403 126,1404 344.965,1405 151.027,1406 362.013,1407 479.29,1408 336,1409 150,1410 324.474,1411 170.71,1412 336.399,1413 497.87,1414 318,1415 6.543}
{0 CHEMBL415799,1 1.457,2 7.381,3 2.653,4 7.038,5 87.01,6 7.688,7 0.458,8 3.772,9 3.901,10 3.374,11 3.402,12 4.807,13 3.354,14 4.335,15 4.498,16 3.828,17 3.882,18 5.278,19 3.809,20 4.686,21 4.88,22 3.977,23 4.098,24 5.643,25 3.998,26 4.822,27 5.07,28 3.887,29 4.063,30 5.755,31 3.932,32 4.742,33 5.013,34 3.671,35 3.927,36 5.654,37 3.77,38 4.586,39 4.873,40 3.516,41 3.737,42 5.478,43 3.56,44 4.334,45 4.612,46 3.129,47 3.484,48 5.191,49 3.268,50 3.952,51 4.251,52 2.869,53 3.075,54 4.761,55 2.829,56 0.048,57 0.573,58 8.022,59 3.485,60 9.942,61 4.804,62 0.055,63 0.963,64 15.336,65 6.741,66 12.621,67 9.328,68 0.138,69 1.335,70 24.624,71 9.283,72 25.01,73 12.927,74 0.274,75 1.479,76 29.826,77 10.327,78 40.771,79 14.779,80 0.273,81 1.345,82 27.497,83 9.586,84 42.176,85 13.756,86 0.234,87 1.08,88 25.517,89 8.557,90 38.668,91 12.282,92 0.194,93 0.788,94 23.277,95 7.08,96 31.306,97 9.799,98 0.112,99 0.49,100 16.744,101 5.234,102 18.472,103 7.192,104 17,105 37,106 0.26,107 0.678,108 0.836,109 0.885,110 0.885,111 0.885,112 3.106,113 0.966,114 -4.04,115 -3.99,116 -3.78,121 43.6,122 1,123 2,124 2,129 1,137 1,138 1,144 3,145 2,146 2,148 2,165 2,166 2,167 2,176 9,180 4,185 4,187 15,189 4,192 3,197 6,200 12,203 6,206 4,208 1,209 1,211 5,214 11,216 5,219 1,221 1,222 1,223 1,224 4,226 2,227 7,229 4,230 1,232 1,237 4,239 10,241 4,249 2,251 7,253 2,264 5,274 1,277 1,279 1,281 431,282 13.964,283 13.964,284 13.964,285 13.964,286 13.964,287 12.339,288 12.98,289 7.799,290 14.178,291 11.834,292 11.834,293 11.834,294 11.834,295 11.834,296 9.358,297 10.812,298 3.728,299 12.254,300 3.828,301 1.487,302 0.603,303 0.327,304 0.327,305 0.327,306 3.801,308 1,310 1,311 1,312 1,313 344,314 2.236,318 130.632,320 42.734,322 106.123,324 62.881,325 1.256,326 18.434,327 1,328 1,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 43.833,338 155,339 4.687,340 3.562,341 7.032,342 4.343,343 3.357,344 4.586,345 0.68,346 12.02,347 3.311,348 4.221,349 3.109,350 6.433,351 3.927,352 2.944,353 3.651,355 9.87,356 2.891,357 3.83,358 2.862,359 5.911,360 3.43,361 2.467,362 3.167,364 8.072,365 2.381,366 3.545,367 2.552,368 5.436,369 3.179,370 2.201,371 2.908,373 6.892,374 2.155,375 3.412,376 2.456,377 5.182,378 3.034,379 2.088,380 2.721,382 6.134,383 1.999,384 3.257,385 2.294,386 4.971,387 2.985,388 2.028,389 2.331,391 5.746,392 1.86,393 2.959,394 1.893,395 4.826,396 2.686,397 1.731,398 2.014,400 5.155,401 1.604,402 2.491,403 1.209,404 3.975,405 2.074,406 1.097,407 1.487,409 2.886,410 1.059,411 1.563,412 0.866,413 3.468,414 1.405,415 0.451,416 0.478,418 1.167,419 0.428,420 1.43,421 0.473,422 3.228,423 1.159,424 0.18,425 0.208,427 0.528,428 0.172,429 1.214,430 0.277,431 2.863,432 0.862,433 -0.089,434 -0.112,436 -0.234,437 -0.084,438 0.988,439 0.098,440 2.651,441 0.596,442 -0.282,443 -0.344,445 -0.708,446 -0.203,447 0.645,448 -0.325,449 2.4,450 0.278,451 -0.669,452 -0.79,454 -1.756,455 -0.612,456 0.377,457 -0.562,458 2.337,459 0.114,460 -0.875,461 -0.948,463 -2.514,464 -0.863,465 0.203,466 -0.807,467 2.07,468 -0.02,469 -1,470 -1.236,472 -2.996,473 -0.946,474 10.414,475 0.496,476 0.716,477 0.034,478 24.75,479 1.179,480 11.5,481 0.548,482 13.25,483 0.631,484 20.023,485 0.953,486 21.986,487 0.564,488 15.536,489 0.74,490 4.335,491 0.206,492 5.706,493 0.272,494 0.193,496 0.48,501 0.902,502 0.952,503 0.66,504 0.768,505 1.122,506 0.798,507 0.605,508 1.096,509 0.628,510 0.899,511 0.583,512 0.877,513 0.932,514 1.247,515 0.911,516 1.097,517 0.908,518 1.073,519 0.853,520 1.129,521 0.8,522 1.017,523 0.947,524 1.027,525 0.897,526 0.96,527 0.767,528 0.919,529 0.955,530 0.995,531 0.82,532 0.902,533 0.755,534 0.867,535 0.935,536 0.913,537 1.319,538 0.87,539 1.359,540 1.082,541 1.285,542 1.095,543 1.067,544 0.821,545 1.231,546 0.973,547 1.009,548 0.956,549 5,551 2.667,552 2.313,553 2.084,554 0.903,555 0.443,556 0.267,557 0.115,558 0.051,559 3882,560 9474,561 2.126,562 46.2,563 5,564 5,567 4,568 2,569 2,572 1.638,573 1.938,574 2.88,575 1.827,576 1,577 1,579 1,582 56.83,583 1.457,584 3.799,585 4.683,586 4.958,587 4.958,588 4.958,589 2.489,590 4.202,591 4.366,592 2.955,593 620.537,594 7.514,595 6116.08,596 1,597 1,598 1,599 1,600 206.131,601 1.494,602 4.303,603 0.208,605 0.072,606 0.056,607 0.06,608 0.033,609 0.021,610 0.021,611 0.014,612 0.017,613 0.503,614 0.67,615 1,616 0.665,617 90.991,618 -0.139,619 0.214,620 0.005,621 0.161,622 -0.212,623 0.123,624 0.034,625 -0.03,626 0.086,627 0.066,628 0.066,629 0.086,630 -0.072,631 -0.199,632 -0.089,633 -0.149,634 -0.053,635 -0.126,636 0.052,637 -0.113,638 -0.014,639 -0.096,640 0.027,641 -0.083,642 -0.003,643 0.043,644 -0.007,645 -0.005,646 0.02,647 -0.05,648 0.064,649 0.037,650 0.113,651 0.085,652 0.065,653 0.066,654 -0.19,655 0.025,656 -0.163,657 -0.069,658 -0.213,659 -0.094,660 0.022,661 -0.017,662 0.107,663 0.097,664 -0.026,665 0.095,666 1.185,667 2.475,668 0.81,669 12.263,670 0.992,671 1.122,672 2.808,673 7.886,674 0.691,675 3.219,676 3.638,677 3.989,678 4.357,679 4.7,680 4.875,681 5.03,682 5.242,683 5.323,684 5.333,685 4.377,686 0.644,687 299.83,688 3.219,689 4.812,690 5.714,691 6.648,692 7.568,693 8.506,694 9.432,695 10.372,696 11.302,697 12.243,698 7.7,699 1,702 1,708 1,714 2,715 3,716 1,720 4,722 11,733 1,740 1,741 39,743 12,744 1,745 24,747 42,748 17,749 9,750 3,751 3,756 4,757 10,758 1,763 1,767 3,768 2,770 3,772 11,773 6,774 2,777 1,784 1,786 1,789 1,790 1,793 18,794 3,795 4,796 4,797 1,802 3,808 0.25,822 1,829 4,831 1,833 2,835 1,849 1,850 1,851 1,859 1,864 1,865 1,868 21,869 2,876 2,880 3,892 1,901 10.833,902 7.093,903 4.361,904 2.358,907 2.752,908 1.364,909 1.035,910 2.866,911 10.321,912 3.45,913 4.135,914 4.762,915 5.414,916 6.054,917 6.479,918 6.903,919 7.379,920 7.751,921 7.9,922 1,923 41,924 7.787,926 3.496,927 0.026,929 7.585,931 15.259,933 13.745,936 2.085,937 43.778,938 0.001,941 164.795,942 71.902,943 82.58,944 39.149,948 71.902,949 203.944,950 82.58,951 8.825,952 37.966,953 70.802,954 16.786,955 20.102,957 164.795,958 39.149,959 164.795,960 154.482,962 39.149,964 141.253,965 23.542,968 51.692,969 76.527,970 65.41,972 164.795,973 82.58,974 111.05,977 164.795,978 25.171,979 46.73,981 121.729,982 164.795,983 82.58,984 111.05,986 0.608,987 0.367,988 0.21,989 0.126,990 22,991 10,994 4,995 1.412,996 3.176,997 183.498,998 0.471,999 16,1000 90.239,1005 13.261,1006 4.538,1007 1.921,1008 1.865,1009 82.58,1010 5.717,1011 4.83,1015 3.793,1017 65.794,1018 358.426,1019 30.5,1026 2.31,1028 1.41,1031 38.698,1032 43.761,1034 0.276,1035 0.719,1036 0.886,1037 0.938,1038 0.938,1039 0.938,1040 4.751,1041 1.097,1042 5.753,1043 5.155,1044 4.317,1045 4.82,1046 0.655,1047 6.661,1048 4.257,1049 5.999,1050 0.451,1051 7.373,1052 2.886,1053 4.111,1054 4.832,1056 7.7,1057 4.007,1058 7.348,1059 0.18,1060 9.089,1061 1.167,1062 6.009,1063 7.097,1064 0.356,1065 10.87,1066 5.916,1067 8.725,1068 -0.089,1069 10.859,1070 0.528,1071 6.553,1072 7.881,1074 12.707,1075 6.432,1076 10.131,1077 -0.282,1078 12.662,1079 -0.234,1080 7.989,1081 9.691,1082 0.18,1083 15.426,1084 7.873,1085 11.558,1086 -0.669,1087 14.491,1088 -0.708,1089 8.885,1090 10.853,1092 17.621,1093 8.752,1094 13.002,1095 -0.875,1096 16.338,1097 -1.756,1098 10.155,1099 12.485,1100 0.087,1101 20.181,1102 10.018,1103 3.357,1104 -1,1105 18.201,1106 -2.514,1107 11.216,1108 13.836,1110 22.535,1111 11.065,1112 2.944,1113 12.02,1114 20.076,1115 -2.996,1116 12.427,1117 15.396,1118 0.041,1119 25.038,1120 12.269,1121 2.467,1122 9.87,1123 21.961,1124 4.586,1125 13.563,1126 16.837,1128 27.461,1129 13.392,1130 2.201,1131 8.072,1132 23.855,1133 3.651,1134 14.758,1135 18.37,1136 0.019,1137 29.946,1138 14.577,1139 2.088,1140 6.892,1141 25.757,1142 3.167,1143 15.927,1144 19.854,1146 32.4,1147 15.733,1148 2.028,1149 6.134,1150 27.665,1151 2.908,1152 17.12,1153 21.377,1154 0.009,1155 34.88,1156 16.915,1157 1.731,1158 5.746,1159 29.578,1160 2.721,1161 18.305,1162 22.88,1164 37.35,1165 18.087,1166 3715,1167 5897,1168 15.838,1169 26.966,1170 37.374,1171 37.828,1172 39.26,1173 37.278,1174 37.086,1175 47.105,1176 1.36,1177 116.938,1178 35.715,1179 5.64,1180 5.562,1181 6.318,1182 5.386,1183 5.357,1184 7.586,1185 1.36,1186 19.684,1187 5.311,1188 10.785,1189 1.557,1190 1.576,1191 1.636,1192 1.553,1193 1.545,1194 1.963,1195 0.057,1196 4.872,1197 1.488,1198 4.138,1199 4.167,1200 4.137,1201 4.071,1202 5.165,1203 4.074,1204 3.881,1205 3.916,1206 3.878,1207 3.817,1208 4.996,1209 3.808,1210 3.473,1211 3.519,1212 3.584,1213 3.389,1214 4.898,1215 3.381,1216 3.29,1217 3.366,1218 3.219,1219 3.147,1220 4.585,1221 3.135,1222 3.204,1223 3.29,1224 3.076,1225 3.02,1226 4.373,1227 3.017,1228 2.991,1229 3.079,1230 2.971,1231 2.837,1232 4.069,1233 2.83,1234 2.859,1235 2.977,1236 2.813,1237 2.646,1238 3.746,1239 2.639,1240 2.724,1241 2.833,1242 2.622,1243 2.494,1244 3.562,1245 2.463,1246 0.195,1247 0.148,1248 0.293,1249 0.181,1250 0.14,1251 4.687,1252 0.191,1253 3.562,1254 0.028,1255 7.032,1256 0.501,1257 4.343,1258 0.138,1259 3.357,1260 4.586,1261 0.68,1262 12.02,1263 3.311,1264 2.095,1265 2.071,1266 2.18,1267 2.182,1268 1.521,1269 2.184,1270 1.882,1271 1.852,1272 1.994,1273 1.975,1274 1.169,1275 1.988,1276 1.471,1277 1.429,1278 1.691,1279 1.614,1280 0.916,1281 1.645,1282 1.274,1283 1.215,1284 1.497,1285 1.482,1286 0.765,1287 1.487,1288 1.184,1289 1.107,1290 1.44,1291 1.425,1292 0.549,1293 1.446,1294 0.97,1295 0.905,1296 1.271,1297 1.237,1298 0.347,1299 1.262,1300 0.844,1301 0.737,1302 1.188,1303 1.151,1304 0.219,1305 1.174,1306 0.732,1307 0.637,1308 1.084,1309 0.992,1310 0.165,1311 1.031,1312 3.892,1314 5.283,1316 6.887,1318 8.6,1320 10.37,1322 2.182,1323 6.082,1326 12.924,1328 1.854,1332 0.811,1340 25.106,1341 56.83,1342 148.157,1343 182.621,1344 193.376,1345 193.376,1346 193.376,1347 31.509,1348 7.569,1349 64.93,1350 64.93,1351 24,1352 12.74,1353 3.7,1354 2.907,1355 27.805,1356 57,1357 56,1358 0.262,1359 155.418,1360 263.79,1361 370.98,1362 17712,1363 2.6,1364 14.723,1365 0.701,1366 0.604,1367 15.223,1368 12.691,1369 10.042,1370 0.418,1371 0.322,1372 7.341,1373 9.605,1374 7.088,1375 5.818,1376 10.33,1377 7.725,1378 9.87,1379 0.267,1380 0.183,1381 10.278,1382 6.753,1383 8.634,1384 0.163,1385 0.097,1386 8.896,1387 5.141,1388 7.803,1389 0.101,1390 0.053,1391 8.038,1392 4.106,1393 6.862,1394 0.063,1395 0.029,1396 7.094,1397 3.199,1398 0.385,1399 64.411,1400 0.251,1401 19.884,1402 0.804,1403 122,1404 260.473,1405 141.627,1406 295.909,1407 408.09,1408 276,1409 151,1410 290.159,1411 165.421,1412 309.805,1413 460.21,1414 293,1415 6.648}
{0 CHEMBL416,1 1.459,2 5.5,3 2.187,4 4.783,5 56.928,6 9.008,7 0.556,8 3.361,9 3.405,10 3.091,11 2.903,12 4.623,13 2.95,14 3.847,15 3.921,16 3.465,17 3.252,18 5.157,19 3.306,20 3.934,21 4.011,22 3.501,23 3.297,24 5.231,25 3.336,26 3.935,27 4.026,28 3.412,29 3.205,30 5.204,31 3.248,32 3.901,33 4.018,34 3.157,35 3.05,36 5.199,37 3.067,38 3.701,39 3.868,40 2.592,41 2.816,42 4.952,43 2.707,44 3.354,45 3.672,46 1.586,47 2.038,48 4.417,49 1.834,50 1.953,51 2.278,52 0.225,53 0.655,54 2.944,55 0.503,56 0.112,57 0.282,58 3.037,59 2.255,60 4.12,61 2.001,62 0.362,63 0.456,64 7.027,65 3.632,66 21.647,67 3.169,68 0.43,69 0.499,70 7.471,71 3.996,72 22.004,73 3.663,74 0.394,75 0.499,76 7.894,77 4,78 22.583,79 3.587,80 0.508,81 0.477,82 9.18,83 3.816,84 30.852,85 3.167,86 0.345,87 0.411,88 7.402,89 3.437,90 22.818,91 3.684,92 0.278,93 0.302,94 9.382,95 2.684,96 30.604,97 3.813,98 0.089,99 0.065,100 2.549,101 0.574,102 13.668,103 0.794,104 6,105 26,106 0.289,107 0.724,108 0.837,109 0.87,110 0.87,111 0.87,112 2.857,113 0.796,114 -2.91,115 -2.92,116 -2.82,121 50,126 1,137 2,144 2,145 2,146 2,153 1,154 1,160 1,176 5,179 1,180 5,187 4,191 2,192 6,200 3,205 1,206 6,214 2,218 1,219 4,227 1,231 1,232 2,244 1,281 198,282 11.025,283 11.025,284 11.025,285 11.025,286 11.025,287 9.607,288 8.34,289 6.359,290 11.274,291 8.83,292 8.83,293 8.83,294 8.83,295 8.83,296 6.486,297 8.876,298 2.918,299 9.135,300 3.126,301 0.932,302 0.365,303 0.198,304 0.198,305 0.198,306 3.53,311 1,312 1,313 192,314 2,317 23.847,318 53.167,321 41.256,322 45.455,325 0.875,326 18.644,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 36,338 88,339 4.659,340 3.659,341 6.835,342 4.212,343 3.241,344 4.591,345 1.674,346 11.362,347 3.149,348 4.024,349 3.291,350 6.012,351 3.596,352 2.619,353 3.551,354 0.86,355 8.504,356 2.55,357 3.569,358 2.57,359 5.371,360 3.126,361 2.156,362 2.922,364 6.638,365 2.09,366 3.462,367 2.361,368 4.953,369 3.066,370 2.071,371 2.727,373 5.781,374 2.03,375 2.675,376 1.64,377 4.096,378 2.152,379 1.18,380 1.699,382 3.213,383 1.15,384 2.618,385 1.229,386 3.748,387 2.123,388 1.156,389 1.584,391 2.664,392 1.105,393 2.186,394 1.11,395 3.399,396 1.763,397 0.858,398 1.052,400 1.878,401 0.767,402 1.795,403 0.863,404 2.942,405 1.276,406 0.298,407 0.435,409 0.633,410 0.288,411 1.126,412 0.466,413 2.496,414 0.726,415 -0.2,416 -0.248,418 -0.376,419 -0.182,420 0.865,421 -0.073,422 2.339,423 0.453,424 -0.557,425 -0.76,427 -1.449,428 -0.56,429 0.53,430 -0.524,431 2.329,432 0.093,433 -0.852,434 -1.03,436 -2.398,437 -0.788,438 0.13,439 -0.822,440 1.813,441 -0.134,442 -1.16,443 -1.646,445 -2.997,446 -1.184,447 -0.087,448 -1.201,449 1.53,450 -0.522,451 -1.476,452 -1.941,454 -3.749,455 -1.398,456 -0.14,457 -1.336,458 1.322,459 -0.606,460 -1.604,461 -2.109,463 -4.791,464 -1.553,465 -0.5,466 -1.609,467 1.101,468 -0.872,469 -1.773,470 -2.406,472 -5.417,473 -1.621,474 7.333,475 0.458,476 0.38,477 0.024,478 22.75,479 1.422,480 12,481 0.75,482 10.75,483 0.672,484 8.745,485 0.547,486 16.667,487 0.694,488 14.353,489 0.897,490 4.8,491 0.3,492 2.992,493 0.187,494 0.114,496 0.409,501 0.807,502 1.108,503 0.586,504 1.066,505 0.601,506 0.834,507 1.021,508 0.824,509 0.716,510 0.788,511 0.638,512 0.676,513 0.857,514 1.001,515 0.807,516 0.988,517 0.817,518 0.91,519 1.074,520 1.168,521 0.96,522 1.148,523 0.903,524 1.049,525 1.403,526 0.958,527 1.338,528 0.965,529 0.961,530 1.078,531 0.814,532 1.357,533 1.512,534 1.434,535 1.131,536 1.66,537 0.806,538 0.683,539 0.956,540 0.708,541 1.74,542 0.839,543 1.337,545 1.056,546 0.01,547 3.415,548 0.3,549 3,551 2,552 1.125,553 1.289,554 0.476,555 0.186,556 0.041,559 1781,560 6044,561 2.135,562 33.3,564 7,565 1,572 1.56,573 2,574 2.539,575 -0.734,579 1,582 35.02,583 1.459,584 3.653,585 4.22,586 4.387,587 4.387,588 4.387,589 1.954,590 3.75,591 3.977,592 2.582,593 309.817,594 6.735,595 2606.35,597 1,600 110.039,601 1.406,602 3.933,603 0.167,605 0.077,606 0.043,607 0.056,608 0.028,609 0.023,610 0.02,613 0.415,614 0.83,615 1,616 0.875,617 61.804,618 -0.069,619 -0.155,620 0.061,621 -0.134,622 -0.073,623 -0.028,624 -0.055,625 0.142,626 0.094,627 0.155,628 0.053,629 0.176,630 0.1,631 -0.043,632 0.014,633 -0.05,634 -0.013,635 -0.052,636 -0.061,637 -0.218,638 -0.08,639 -0.214,640 -0.072,641 -0.172,642 -0.232,643 0.001,644 -0.344,645 -0.023,646 -0.042,647 -0.168,648 0.016,649 -0.417,650 -0.499,651 -0.473,652 -0.045,653 -0.628,654 0.037,655 0.282,656 0.549,657 0.344,658 -0.045,659 0.561,660 -0.185,661 0.994,662 0.707,663 1.075,664 -0.594,665 1.198,666 2.072,667 4.173,668 0.813,669 7.422,670 1.035,671 1.104,672 1.683,673 2.831,674 0.703,675 2.944,676 3.296,677 3.638,678 3.97,679 4.205,680 4.277,681 4.357,682 4.394,683 4.263,684 3.989,685 3.577,686 0.707,687 216.2,688 2.944,689 4.489,690 5.371,691 6.279,692 7.182,693 8.094,694 9.003,695 9.916,696 10.827,697 11.74,714 2,715 3,718 1,720 3,722 10,739 1,741 24,743 12,744 1,745 18,747 26,748 12,749 8,750 5,751 1,752 3,756 3,757 6,772 11,773 1,777 2,782 1,784 2,786 1,790 1,792 1,793 8,794 4,796 4,808 0.333,809 4,828 1,829 2,832 1,833 1,846 1,849 2,859 1,864 1,868 16,878 2,893 16.7,896 1,898 3,901 8,902 4.833,903 3.528,904 1.319,907 2.613,908 1.403,909 1.005,910 2.007,911 9.092,912 3.258,913 3.917,914 4.606,915 5.268,916 5.827,917 6.26,918 6.683,919 7.054,920 7.124,921 7.149,922 0.75,923 26,924 5.868,926 2.543,927 0.026,929 7.969,931 10.872,933 8.843,936 2.469,937 39.5,938 0.002,941 94.169,942 88.8,945 56.652,948 88.8,949 150.821,951 10.883,953 49.644,954 32.336,955 47.753,956 16.607,957 82.398,959 94.169,960 88.8,961 56.652,964 94.169,965 56.652,969 69.848,970 18.952,972 94.169,973 56.652,974 88.8,977 94.169,978 28.273,979 60.528,981 56.652,982 94.169,983 56.652,984 88.8,986 0.582,987 0.362,988 0.215,989 0.119,990 15,991 6,992 0.038,993 1,994 2,995 1.308,996 2.787,997 117.774,998 0.308,999 13,1000 64,1005 9.483,1006 3.386,1007 1.361,1008 1.502,1009 56.652,1010 5.298,1013 5.301,1015 1.679,1018 239.621,1019 25,1024 11.173,1026 3.087,1028 -0.406,1031 24.844,1032 26.498,1034 0.318,1035 0.797,1036 0.92,1037 0.957,1038 0.957,1039 0.957,1040 4.494,1041 0.298,1042 5.371,1043 1.878,1044 3.97,1045 4.6,1046 2.09,1047 6.24,1048 3.91,1049 5.733,1050 -0.2,1051 6.961,1052 0.633,1053 3.611,1054 4.543,1056 7.248,1057 3.537,1058 7.069,1059 -0.557,1060 8.654,1061 -0.376,1062 5.609,1063 6.924,1064 2.88,1065 10.393,1066 5.496,1067 8.446,1068 -0.852,1069 10.406,1070 -1.449,1071 6.089,1072 7.734,1074 12.234,1075 5.95,1076 9.857,1077 -1.16,1078 12.197,1079 -2.398,1080 7.556,1081 9.573,1082 3.826,1083 14.905,1084 7.388,1085 11.292,1086 -1.476,1087 14.016,1088 -2.997,1089 8.417,1090 10.775,1092 17.085,1093 8.218,1094 12.746,1095 -1.604,1096 15.853,1097 -3.749,1098 9.686,1099 12.413,1100 4.83,1101 19.6,1102 9.461,1103 3.241,1104 -1.773,1105 17.705,1106 -4.791,1107 10.72,1108 13.794,1110 21.922,1111 10.462,1112 2.619,1113 11.362,1114 19.569,1115 -5.417,1116 11.919,1117 15.356,1118 5.852,1119 24.382,1120 11.635,1121 2.156,1122 8.504,1123 21.442,1124 4.591,1125 13.029,1126 16.816,1128 26.764,1129 12.714,1130 2.071,1131 6.638,1132 23.323,1133 3.551,1134 14.205,1135 18.351,1136 6.88,1137 29.204,1138 13.863,1139 1.18,1140 5.781,1141 25.21,1142 2.922,1143 15.349,1144 19.846,1146 31.613,1147 14.977,1148 1.156,1149 3.213,1150 27.102,1151 2.727,1152 16.52,1153 21.372,1154 7.91,1155 34.046,1156 16.119,1157 0.858,1158 2.664,1159 28.998,1160 1.699,1161 17.68,1162 22.882,1164 36.466,1165 17.249,1166 1773,1167 3357,1168 12.137,1169 16.864,1170 27.752,1171 28.535,1172 28.492,1173 27.164,1174 27.159,1175 37.12,1176 5.069,1177 81.349,1178 26.259,1179 5.493,1180 5.659,1181 6.356,1182 5.301,1183 5.241,1184 7.591,1185 3.349,1186 18.899,1187 5.149,1188 6.365,1189 1.542,1190 1.585,1191 1.583,1192 1.509,1193 1.509,1194 2.062,1195 0.282,1196 4.519,1197 1.459,1198 4.117,1199 4.115,1200 4.093,1201 4.018,1202 7.434,1203 4.035,1204 3.677,1205 3.678,1206 3.633,1207 3.523,1208 5.172,1209 3.544,1210 3.318,1211 3.363,1212 3.193,1213 3.081,1214 4.687,1215 3.1,1216 3.096,1217 3.113,1218 3.026,1219 2.9,1220 4.479,1221 2.919,1222 2.896,1223 2.93,1224 2.738,1225 2.69,1226 4.008,1227 2.694,1228 2.629,1229 2.648,1230 2.517,1231 2.343,1232 3.854,1233 2.391,1234 2.316,1235 2.348,1236 2.22,1237 2.182,1238 3.486,1239 2.186,1240 2.035,1241 2.112,1242 1.834,1243 1.668,1244 3.064,1245 1.696,1246 0.259,1247 0.203,1248 0.38,1249 0.234,1250 0.18,1251 4.659,1252 0.255,1253 3.659,1254 0.093,1255 6.835,1256 0.631,1257 4.212,1258 0.175,1259 3.241,1260 4.591,1261 1.674,1262 11.362,1263 3.149,1264 1.956,1265 1.952,1266 2.01,1267 2.052,1268 1.176,1269 2.034,1270 1.486,1271 1.47,1272 1.622,1273 1.653,1274 0.668,1275 1.627,1276 1.378,1277 1.365,1278 1.598,1279 1.612,1280 0.592,1281 1.604,1282 1.15,1283 1.078,1284 1.444,1285 1.47,1286 0.444,1287 1.468,1288 0.77,1289 0.763,1290 0.935,1291 1.041,1293 0.997,1294 0.662,1295 0.653,1296 0.784,1297 0.871,1299 0.842,1300 0.407,1301 0.369,1302 0.657,1303 0.695,1305 0.698,1308 0.335,1309 0.168,1311 0.233,1312 3.611,1314 4.949,1315 2.398,1316 6.503,1317 4.595,1318 8.165,1319 6.605,1320 9.887,1322 1.518,1330 10.348,1340 16.966,1341 35.02,1342 87.675,1343 101.284,1344 105.284,1345 105.284,1346 105.284,1347 18.971,1348 6.479,1349 52.58,1350 52.58,1351 17,1352 12.253,1353 3.7,1354 3,1355 21.568,1356 36,1357 30,1358 0.333,1359 102.119,1360 176.6,1361 240.93,1362 4474,1364 11.121,1365 0.695,1366 0.532,1367 11.121,1368 8.52,1369 7.792,1370 0.433,1371 0.265,1372 4.661,1373 7.328,1374 4.563,1375 3.772,1376 7.792,1377 4.775,1378 7.005,1379 0.269,1380 0.132,1381 7.005,1382 3.422,1383 6.205,1384 0.168,1385 0.067,1386 6.205,1387 2.487,1388 5.538,1389 0.107,1390 0.034,1391 5.538,1392 1.792,1393 4.545,1394 0.069,1395 0.018,1396 4.545,1397 1.192,1398 0.478,1399 50.17,1400 0.287,1401 15.457,1402 1.062,1403 88,1404 332.942,1405 100.953,1406 304.489,1407 415.35,1408 286,1409 107,1410 307.818,1411 120.51,1412 305.543,1413 452.92,1414 286,1415 4.268}
{0 CHEMBL416586,1 1.322,2 12.962,3 5.319,4 28.296,5 106.603,6 5.976,7 0.214,8 4.142,9 4.283,10 3.518,11 3.645,12 5.017,13 3.579,14 4.768,15 4.984,16 3.885,17 4.084,18 5.61,19 3.979,20 5.073,21 5.33,22 3.93,23 4.269,24 5.793,25 4.126,26 5.154,27 5.421,28 3.842,29 4.278,30 5.902,31 4.101,32 5.147,33 5.449,34 3.733,35 4.133,36 5.896,37 3.951,38 4.922,39 5.197,40 3.562,41 3.928,42 5.734,43 3.77,44 4.745,45 5.016,46 3.509,47 3.777,48 5.614,49 3.638,50 4.656,51 4.911,52 3.367,53 3.643,54 5.646,55 3.524,56 0.068,57 0.832,58 15.118,59 6.108,60 8.26,61 8.787,62 0.395,63 1.381,64 27.847,65 10.282,66 33.812,67 15.207,68 0.293,69 1.721,70 36.563,71 13.439,72 27.013,73 19.909,74 0.304,75 1.779,76 39.257,77 14.521,78 37.24,79 21.41,80 0.36,81 1.614,82 38.565,83 13.116,84 43.175,85 19.714,86 0.429,87 1.279,88 31.62,89 10.366,90 39.159,91 15.279,92 0.258,93 1.112,94 26.442,95 8.645,96 30.42,97 12.961,98 0.466,99 0.989,100 25.133,101 7.059,102 47.473,103 10.656,104 29,105 39,106 0.219,107 0.471,108 0.705,109 0.857,110 0.883,111 0.883,112 3.303,113 1.116,114 -4.84,115 -4.75,116 -4.46,121 36.7,122 3,123 7,125 1,127 3,129 1,144 3,145 2,146 1,161 1,176 13,179 1,180 6,183 2,185 1,187 16,192 5,197 1,200 14,206 8,211 3,214 8,219 8,224 3,227 6,231 1,232 4,237 3,239 4,244 5,249 4,251 5,255 1,256 3,259 1,264 6,269 2,277 9,281 1088,282 17.687,283 17.687,284 17.687,285 17.687,286 17.687,287 16.846,288 22.483,289 10.688,290 18.004,291 13.735,292 13.735,293 13.735,294 13.735,295 13.735,296 12.355,297 28.055,298 4.985,299 14.19,300 4.585,301 3.062,302 1.643,303 0.73,304 0.571,305 0.571,306 3.984,311 1,312 1,313 715,314 4.183,317 107.597,318 61.869,320 86.79,321 92.962,324 130.05,325 1.967,326 18.344,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 55,338 337,339 4.78,340 3.899,341 7.933,342 4.675,343 3.685,344 4.16,345 2.186,346 14.943,347 3.652,348 3.988,349 3.662,350 6.169,351 3.648,352 2.696,353 3.314,354 0.8,355 8.716,356 2.571,357 3.669,358 2.858,359 5.67,360 3.363,361 2.426,362 2.875,363 0.366,364 7.464,365 2.255,366 3.35,367 2.593,368 5.407,369 3.209,370 2.241,371 2.521,373 7.008,374 2.156,375 3.299,376 2.394,377 4.802,378 2.968,379 1.995,380 2.388,382 5.418,383 1.932,384 2.843,385 1.9,386 4.66,387 2.808,388 1.81,389 1.842,391 4.059,392 1.801,393 2.613,394 1.574,395 4.149,396 2.388,397 1.401,398 1.646,400 3.616,401 1.379,402 2.43,403 1.52,404 3.827,405 2.322,406 1.339,407 1.421,409 2.988,410 1.312,411 2.289,412 1.167,413 3.399,414 2.113,415 1.121,416 1.274,418 2.662,419 1.111,420 1.846,421 1.036,422 3.324,423 1.781,424 0.805,425 0.823,427 1.497,428 0.781,429 1.731,430 0.874,431 2.975,432 1.65,433 0.669,434 0.699,436 1.327,437 0.655,438 1.392,439 0.715,440 2.823,441 1.21,442 0.251,443 0.27,445 0.486,446 0.239,447 1.168,448 0.377,449 2.712,450 1.075,451 0.091,452 0.095,454 0.157,455 0.089,456 0.961,457 0.225,458 2.534,459 0.727,460 -0.24,461 -0.267,463 -0.526,464 -0.23,465 0.613,466 -0.246,467 2.394,468 0.41,469 -0.581,470 -0.603,472 -1.063,473 -0.568,474 12.467,475 0.479,476 0.592,477 0.023,478 24,479 0.923,480 8,481 0.308,482 16,483 0.615,484 29.888,485 1.15,486 30.733,487 0.512,488 14.996,489 0.577,490 3.762,491 0.145,492 8.818,493 0.339,494 0.147,495 0.04,496 0.233,501 0.796,502 1.475,503 1.022,504 1.315,505 0.619,506 1.206,507 0.626,508 1.116,509 0.972,510 1.067,511 0.388,512 1.048,513 0.955,514 1.041,515 0.999,516 1.021,517 0.661,518 1.01,519 0.934,520 1.169,521 1.071,522 1.17,523 0.865,524 1.141,525 1.093,526 0.953,527 0.888,528 0.927,529 1.132,530 0.891,531 1.727,532 0.918,533 1.084,534 0.916,535 1.508,536 0.94,537 1.433,538 1.134,539 0.97,540 1.036,541 1.64,542 0.97,543 2.542,544 0.798,545 1.332,546 0.824,547 3.339,548 0.935,549 5.5,550 0.094,551 3.333,552 2.396,553 1.366,554 0.663,555 0.497,556 0.322,557 0.225,558 0.135,559 8295,560 14104,561 2.027,562 56.7,563 14,564 10,567 1,569 9,572 1.685,573 1.891,574 3.579,575 -0.408,582 79.332,583 1.322,584 2.845,585 4.264,586 5.177,587 5.336,588 5.336,589 3.109,590 4.547,591 4.659,592 3.763,593 1222.93,594 8.05,595 15786.9,600 354.413,601 1.542,602 4.619,603 0.196,604 0.006,605 0.085,606 0.06,607 0.04,608 0.022,609 0.02,610 0.013,611 0.011,612 0.008,613 0.462,614 0.33,615 1,616 2.327,617 129.715,618 0.02,619 -0.133,620 0.061,621 -0.048,622 -0.005,623 0.002,624 0.306,625 0.07,626 0.073,627 0.038,628 0.25,629 0.033,630 -0.049,631 0.03,632 0.004,633 0.019,634 0.014,635 0.02,636 -0.032,637 -0.15,638 -0.087,639 -0.144,640 0.009,641 -0.124,642 0.008,643 -0.03,644 0.091,645 0.008,646 0.008,647 0.053,648 -0.086,649 0.02,650 -0.037,651 0.025,652 -0.132,654 -0.012,655 -0.167,656 0.063,657 -0.076,658 -0.032,659 -0.01,660 -0.227,661 0.199,662 -0.186,663 0.061,664 -0.33,665 -0.044,666 1.998,667 5.066,668 0.462,669 29.195,670 0.983,671 1.134,672 3.614,673 13.063,674 0.618,675 3.367,676 3.689,677 3.989,678 4.29,679 4.5,680 4.625,681 4.796,682 4.875,683 4.868,684 4.875,685 7.154,686 0.565,687 358.58,688 3.367,689 4.905,690 5.765,691 6.666,692 7.564,693 8.486,694 9.405,695 10.34,696 11.273,697 12.216,698 3.3,701 1,705 1,715 3,720 3,722 6,737 1,741 60,743 7,744 1,745 28,747 62,748 22,749 6,750 3,751 3,756 3,757 6,763 3,764 1,766 1,767 3,770 8,772 7,773 15,777 1,782 1,786 1,793 34,794 4,795 1,796 4,802 2,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 3,868 26,876 10,877 1,878 1,880 1,881 1,882 1,893 3.3,896 1,898 1,901 13.75,902 11.367,903 5.931,904 4.399,907 1.282,908 1.174,909 0.926,910 6.497,911 8.642,912 3.497,913 3.961,914 4.422,915 4.93,916 5.402,917 5.652,918 6.019,919 6.272,920 6.335,921 6.418,922 0.889,923 40,924 9.718,926 4.04,927 0.026,929 7.471,931 19.518,933 16.51,936 1.971,937 51.25,941 388.446,942 97.34,943 21.135,945 36.145,948 97.34,949 424.591,950 21.135,951 26.476,952 42.07,953 28.429,954 25.145,955 25.739,956 6.763,957 388.446,959 388.446,960 118.475,961 36.145,964 282.506,965 142.085,968 71.67,969 46.806,972 388.446,973 57.28,974 97.34,977 388.446,978 42.436,979 58.029,980 18.011,981 36.145,982 388.446,983 57.28,984 97.34,986 0.567,987 0.333,988 0.181,989 0.097,990 18,991 8,992 0.145,993 9,994 2,995 1.333,996 3.846,997 209.956,998 0.333,999 12,1000 120.211,1005 19.538,1006 8.645,1007 4.215,1009 57.28,1010 6.204,1015 3.465,1017 18.011,1018 543.067,1019 32,1024 12.066,1028 -0.332,1031 58.996,1032 68.059,1034 0.224,1035 0.482,1036 0.722,1037 0.876,1038 0.903,1039 0.903,1040 4.766,1041 1.339,1042 5.778,1043 3.616,1044 4.369,1045 4.644,1046 2.351,1047 6.683,1048 4.311,1049 5.933,1050 1.121,1051 7.398,1052 2.988,1053 4.111,1054 4.494,1055 1.847,1056 8.069,1057 4.039,1058 7.249,1059 0.805,1060 9.151,1061 2.662,1062 6.075,1063 6.672,1064 3.504,1065 11.226,1066 5.973,1067 8.609,1068 0.669,1069 10.992,1070 1.497,1071 6.735,1072 7.368,1073 3.598,1074 13.535,1075 6.639,1076 10.016,1077 0.251,1078 12.896,1079 1.327,1080 8.21,1081 9.083,1082 4.907,1083 16.344,1084 8.097,1085 11.454,1086 0.091,1087 14.844,1088 0.486,1089 9.269,1090 10.151,1091 5.29,1092 18.938,1093 9.165,1094 12.919,1095 -0.24,1096 16.825,1097 0.157,1098 10.603,1099 11.7,1100 6.387,1101 21.668,1102 10.491,1103 3.685,1104 -0.581,1105 18.83,1106 -0.526,1107 11.817,1108 12.943,1109 6.93,1110 24.341,1111 11.709,1112 2.696,1113 14.943,1114 20.852,1115 -1.063,1116 13.119,1117 14.424,1118 7.902,1119 27.053,1120 13.005,1121 2.426,1122 8.716,1123 22.887,1124 4.16,1125 14.389,1126 15.754,1127 8.539,1128 29.748,1129 14.273,1130 2.241,1131 7.464,1132 24.931,1133 3.314,1134 15.687,1135 17.205,1136 9.436,1137 32.454,1138 15.565,1139 1.995,1140 7.008,1141 26.983,1142 2.875,1143 16.977,1144 18.579,1145 10.13,1146 35.156,1147 16.85,1148 1.81,1149 5.418,1150 29.039,1151 2.521,1152 18.277,1153 20.016,1154 10.981,1155 37.861,1156 18.143,1157 1.401,1158 4.059,1159 31.099,1160 2.388,1161 19.575,1162 21.413,1163 11.71,1164 40.564,1165 19.434,1166 8259,1167 10940,1168 18.375,1169 37.103,1170 41.083,1171 42.192,1172 43.418,1173 41.071,1174 41.06,1175 46.655,1176 6.705,1177 120.684,1178 39.865,1179 5.743,1180 5.899,1181 7.897,1182 5.754,1183 5.685,1184 7.16,1185 3.889,1186 23.402,1187 5.652,1188 13.414,1189 1.467,1190 1.507,1191 1.551,1192 1.467,1193 1.466,1194 1.666,1195 0.239,1196 4.31,1197 1.424,1198 4.099,1199 4.132,1200 4.038,1201 4.028,1202 7.435,1203 4.026,1204 3.785,1205 3.851,1206 3.659,1207 3.648,1208 4.819,1209 3.631,1210 3.717,1211 3.763,1212 3.598,1213 3.578,1214 4.418,1215 3.581,1216 3.573,1217 3.645,1218 3.434,1219 3.384,1220 4.256,1221 3.377,1222 3.415,1223 3.492,1224 3.233,1225 3.243,1226 4.149,1227 3.225,1228 3.338,1229 3.399,1230 3.167,1231 3.108,1232 4.034,1233 3.124,1234 3.165,1235 3.241,1236 2.984,1237 3.006,1238 3.941,1239 2.991,1240 3.076,1241 3.184,1242 2.819,1243 2.881,1244 3.741,1245 2.852,1246 0.171,1247 0.139,1248 0.283,1249 0.167,1250 0.132,1251 4.78,1252 0.149,1253 3.899,1254 0.078,1255 7.933,1256 0.534,1257 4.675,1258 0.13,1259 3.685,1260 4.16,1261 2.186,1262 14.943,1263 3.652,1264 1.911,1265 1.893,1266 2.039,1267 1.998,1268 1.379,1269 2.003,1270 1.782,1271 1.718,1272 2.012,1273 1.948,1274 1.312,1275 1.98,1276 1.677,1277 1.623,1278 1.892,1279 1.863,1280 1.218,1281 1.876,1282 1.593,1283 1.522,1284 1.854,1285 1.794,1286 1.121,1287 1.814,1288 1.561,1289 1.486,1290 1.84,1291 1.756,1292 1.071,1293 1.789,1294 1.298,1295 1.238,1296 1.608,1297 1.566,1298 0.828,1299 1.571,1300 1.25,1301 1.165,1302 1.576,1303 1.487,1304 0.778,1305 1.53,1306 1.102,1307 1.025,1308 1.452,1309 1.346,1310 0.597,1311 1.381,1312 4.043,1314 5.361,1315 3.045,1316 6.882,1317 5.587,1318 8.515,1319 7.832,1320 10.221,1322 6.829,1328 11.213,1329 2.878,1330 5.55,1332 0.592,1333 2.589,1334 0.195,1340 33.901,1341 79.332,1342 170.677,1343 255.845,1344 310.639,1345 320.149,1346 320.149,1347 47.741,1348 7.36,1349 41.57,1350 41.57,1351 16,1352 12.712,1353 3,1354 2.322,1355 44.826,1356 109,1357 146,1358 0.201,1359 209.493,1360 370.2,1361 502.924,1362 15119,1364 18.571,1365 0.714,1366 0.64,1367 18.571,1368 16.644,1369 12.58,1370 0.449,1371 0.372,1372 10.321,1373 12.211,1374 9.993,1375 8.361,1376 12.58,1377 10.413,1378 10.998,1379 0.282,1380 0.207,1381 10.998,1382 8.065,1383 9.286,1384 0.175,1385 0.12,1386 9.286,1387 6.371,1388 7.743,1389 0.108,1390 0.066,1391 7.743,1392 4.747,1393 6.126,1394 0.069,1395 0.037,1396 6.126,1397 3.295,1398 0.324,1399 77.902,1400 0.233,1401 25.637,1402 0.526,1403 134,1404 301.449,1405 144.889,1406 288.9,1407 400.93,1408 272,1409 159,1410 301.064,1411 168.812,1412 302.655,1413 448.01,1414 286,1415 7.341}
{0 CHEMBL416772,1 1.559,2 7.8,3 1.459,4 2.128,5 58.808,6 6.434,7 0.333,8 3.572,9 3.714,10 2.992,11 2.902,12 4.682,13 2.887,14 4.096,15 4.329,16 3.185,17 3.222,18 4.993,19 3.169,20 4.224,21 4.47,22 3.167,23 3.324,24 5.088,25 3.221,26 4.316,27 4.585,28 3.136,29 3.261,30 5.22,31 3.148,32 4.212,33 4.496,34 2.971,35 3.082,36 5.17,37 2.995,38 4.053,39 4.302,40 2.678,41 3.002,42 5.052,43 2.866,44 3.921,45 4.237,46 2.48,47 2.912,48 4.612,49 2.731,50 3.762,51 4.05,52 2.299,53 2.771,54 4.58,55 2.583,56 0.078,57 0.435,58 8.295,59 2.529,60 13.202,61 4.018,62 0.284,63 0.605,64 14.442,65 3.682,66 16.909,67 6.071,68 0.212,69 0.643,70 16.027,71 4.813,72 17.682,73 7.507,74 0.363,75 0.608,76 17.966,77 4.385,78 25.587,79 7.463,80 0.344,81 0.494,82 16.369,83 3.58,84 30.841,85 6.147,86 0.39,87 0.45,88 13.968,89 3.49,90 38.387,91 5.611,92 0.161,93 0.416,94 11.617,95 3.238,96 13.538,97 5.42,98 0.127,99 0.354,100 9.892,101 2.86,102 15.216,103 4.68,104 21,105 18,106 0.3,107 0.598,108 0.823,109 0.858,110 0.87,111 0.87,112 2.791,113 1.037,114 -1.96,115 -2.02,116 -2.01,121 30.3,122 1,123 2,126 1,127 1,128 1,147 1,153 1,157 1,163 1,172 1,176 2,180 1,182 2,187 1,191 1,192 1,194 1,205 1,206 1,209 1,213 1,216 1,218 1,229 1,232 1,235 1,241 1,244 2,256 2,261 1,269 1,274 1,281 259,282 10.259,283 10.259,284 10.259,285 10.259,286 10.259,287 9.239,288 13.118,289 6.627,290 10.68,291 7.336,292 7.336,293 7.336,294 7.336,295 7.336,296 6.022,297 18.506,298 3.012,299 7.954,300 3.486,301 1.941,302 0.773,303 0.591,304 0.531,305 0.531,306 3.414,311 1,312 1,313 226,314 2.915,317 46.111,325 1.173,326 9.23,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 33.5,338 117,339 4.398,340 3.631,341 6.47,342 3.94,343 3.024,344 4.086,345 1.697,346 10.003,347 2.769,348 3.183,349 3.095,350 4.954,351 2.85,352 1.96,353 2.345,354 1.041,355 5.426,356 1.744,357 3.041,358 2.409,359 4.115,360 2.606,361 1.659,362 2.129,364 3.622,365 1.569,366 2.718,367 1.872,368 3.711,369 2.471,370 1.521,371 1.723,373 3.298,374 1.441,375 2.363,376 1.464,377 3.16,378 1.928,379 1.026,380 1.23,382 1.91,383 0.916,384 2.077,385 1.278,386 3.04,387 1.811,388 0.857,389 1.055,391 1.536,392 0.815,393 1.325,394 0.705,395 2.355,396 1.213,397 0.271,398 0.281,400 0.457,401 0.253,402 0.898,403 0.463,404 2,405 0.766,406 -0.189,407 -0.201,409 -0.314,410 -0.18,411 0.441,412 -0.171,413 1.83,414 0.183,415 -0.742,416 -0.808,418 -1.27,419 -0.682,420 0.306,421 -0.527,422 1.451,423 0.022,424 -0.891,425 -1.07,427 -1.75,428 -0.815,429 -0.039,430 -1.005,431 1.327,432 -0.372,433 -1.298,434 -1.452,436 -2.89,437 -1.181,438 -0.313,439 -1.44,440 0.753,441 -0.686,442 -1.635,443 -1.826,445 -3.476,446 -1.552,447 -0.498,448 -1.585,449 0.53,450 -0.8,451 -1.709,452 -2.247,454 -4.632,455 -1.565,456 -0.518,457 -1.725,458 0.241,459 -0.956,460 -1.892,461 -2.537,462 -1.041,463 -5.423,464 -1.733,465 -0.882,466 -1.845,467 0.064,468 -1.076,469 -1.961,470 -2.707,471 -1.697,472 -6.497,473 -1.797,474 6.867,475 0.458,476 0.209,477 0.014,478 14.5,479 0.967,480 4.5,481 0.3,482 10,483 0.667,484 11.319,485 0.755,486 18.633,487 0.565,488 9.132,489 0.609,490 3.146,491 0.21,492 4.145,493 0.276,494 0.194,496 0.189,501 0.865,502 1.96,503 0.951,504 1.572,505 0.816,506 1.316,507 1.155,508 1.015,509 1.036,510 0.898,511 0.621,512 0.926,513 0.839,514 1.132,515 0.961,516 1.2,517 0.647,518 1.12,519 0.877,520 1.142,521 0.976,522 1.123,523 0.629,524 1.074,525 1.35,526 0.753,527 0.982,528 0.77,529 1.077,530 0.79,531 1.506,532 0.947,533 1.303,534 0.972,535 1.976,536 1.109,537 0.619,538 0.85,539 0.884,540 0.893,541 0.513,542 0.919,543 0.751,544 1.123,545 1.073,546 1.204,547 1.092,548 1.201,549 2,551 1.556,552 1.042,553 0.49,554 0.271,555 0.137,556 0.103,557 0.081,558 0.02,559 1490,560 3822,561 1.888,562 54.5,563 5,564 5,565 3,566 2,567 1,569 2,572 1.528,573 1.765,574 2.954,575 -0.134,577 1,578 1,579 1,582 51.432,583 1.559,584 3.103,585 4.271,586 4.453,587 4.514,588 4.514,589 2.473,590 3.774,591 3.868,592 3.07,593 322.344,594 6.476,595 2732.94,597 1,600 166.465,601 1.371,602 3.831,603 0.133,605 0.086,606 0.061,607 0.033,608 0.021,609 0.015,610 0.013,611 0.013,612 0.007,613 0.383,614 0.67,615 1,616 2.281,617 60.054,618 0.084,619 -0.515,620 0.054,621 -0.263,622 0.09,623 -0.137,624 -0.088,625 0.149,626 -0.019,627 0.128,628 -0.022,629 0.074,630 0.01,631 -0.034,632 -0.009,633 -0.109,634 0.006,635 -0.072,636 0.13,637 -0.163,638 0.004,639 -0.168,640 0.086,641 -0.115,642 -0.107,643 0.127,644 0.039,645 0.087,646 0.046,647 0.102,648 -0.143,649 -0.023,650 -0.282,651 -0.008,652 -0.227,653 -0.162,654 -0.029,655 0.083,656 0.016,657 0.066,658 0.005,659 0.058,660 -0.07,661 -0.148,662 -0.166,663 -0.185,664 -0.13,665 -0.193,666 1.012,667 2.499,668 0.333,669 11.12,670 1.003,671 1.152,672 0.733,673 0.538,674 0.595,675 2.773,676 2.944,677 3.135,678 3.296,679 3.219,680 3.045,681 2.944,682 2.773,683 2.485,684 2.079,685 4.627,686 0.559,687 212.31,688 2.773,689 4.205,690 4.99,691 5.808,692 6.629,693 7.465,694 8.301,695 9.144,696 9.988,697 10.836,698 9.1,706 1,707 1,708 1,715 2,720 1,721 2,722 5,726 1,741 33,743 6,745 15,747 33,748 10,749 3,752 1,756 1,757 1,763 1,770 2,772 4,773 6,777 1,784 1,785 1,790 1,793 18,794 3,795 1,796 5,799 1,802 3,803 1,808 1,809 2,828 1,857 1,858 1,859 1,864 2,868 15,875 1,876 4,878 1,893 6.1,897 1,898 1,901 8.5,902 6.267,903 3.722,904 2.055,907 1.211,908 1.229,909 0.861,910 5.355,911 6.5,912 2.97,913 3.409,914 3.899,915 4.404,916 4.457,917 4.423,918 4.432,919 4.262,920 4.004,921 3.757,922 1,923 17,924 5.48,925 -0.001,926 2.052,927 0.026,929 7.778,931 10.51,933 7.648,934 -0.001,936 2.278,937 34.167,938 0.004,941 200.109,942 60.517,943 17.046,945 53.806,948 60.517,949 253.914,950 17.046,951 17.222,952 13.825,953 9.047,954 47.817,955 67,956 35.313,957 141.253,959 200.109,960 77.562,961 53.806,964 176.567,965 66.348,966 11,968 49.172,969 17.444,970 10.947,972 200.109,973 70.851,974 60.517,977 200.109,978 16.153,979 48.162,981 67.053,982 200.109,983 70.851,984 60.517,986 0.529,987 0.307,988 0.17,989 0.086,990 6,991 3,992 0.182,993 6,995 1,996 2.757,997 83.632,999 5,1000 58.603,1005 12.201,1006 6.584,1007 3.643,1009 67.053,1010 3.781,1015 0.8,1016 3.748,1017 42.806,1018 331.477,1019 18.5,1026 1.392,1027 3.022,1031 33.087,1032 38.028,1034 0.309,1035 0.615,1036 0.847,1037 0.883,1038 0.895,1039 0.895,1040 4.115,1041 -0.189,1042 4.905,1043 0.457,1044 3.611,1045 4.086,1046 2.189,1047 5.631,1048 3.449,1049 5.252,1050 -0.742,1051 6.409,1052 -0.314,1053 2.944,1054 3.726,1056 6.475,1057 2.682,1058 6.511,1059 -0.891,1060 8.034,1061 -1.27,1062 5.081,1063 6.176,1064 2.993,1065 9.583,1066 4.74,1067 7.824,1068 -1.298,1069 9.736,1070 -1.75,1071 5.398,1072 6.843,1074 11.371,1075 4.949,1076 9.184,1077 -1.635,1078 11.489,1079 -2.89,1080 6.917,1081 8.663,1082 3.938,1083 13.95,1084 6.392,1085 10.578,1086 -1.709,1087 13.277,1088 -3.476,1089 7.696,1090 9.772,1092 16.066,1093 7.072,1094 11.997,1095 -1.892,1096 15.088,1097 -4.632,1098 8.963,1099 11.345,1100 4.951,1101 18.471,1102 8.259,1103 3.024,1104 -1.961,1105 16.916,1106 -5.423,1107 9.94,1108 12.634,1110 20.704,1111 9.143,1112 1.96,1113 10.003,1114 18.754,1115 -6.497,1116 11.109,1117 14.109,1118 5.992,1119 23.047,1120 10.227,1121 1.659,1122 5.426,1123 20.6,1124 4.086,1125 12.164,1126 15.469,1128 25.323,1129 11.193,1130 1.521,1131 3.622,1132 22.452,1133 2.345,1134 13.295,1135 16.904,1136 7.044,1137 27.641,1138 12.238,1139 1.026,1140 3.298,1141 24.308,1142 2.129,1143 14.382,1144 18.292,1146 29.933,1147 13.236,1148 0.857,1149 1.91,1150 26.167,1151 1.723,1152 15.498,1153 19.711,1154 8.099,1155 32.243,1156 14.264,1157 0.271,1158 1.536,1159 28.028,1160 1.23,1161 16.596,1162 21.111,1164 34.541,1165 15.275,1166 1667,1167 2761,1168 9.534,1169 19.637,1170 20.943,1171 22.775,1172 22.098,1173 20.663,1174 20.637,1175 25.698,1176 5.476,1177 52.505,1178 19.011,1179 5.28,1180 5.477,1181 6.406,1182 5.016,1183 4.984,1184 6.793,1185 3.394,1186 16.5,1187 4.566,1188 7.963,1189 1.396,1190 1.518,1191 1.473,1192 1.378,1193 1.376,1194 1.713,1195 0.365,1196 3.5,1197 1.267,1198 4.027,1199 4.091,1200 3.979,1201 3.806,1202 6.546,1203 3.842,1204 3.675,1205 3.741,1206 3.502,1207 3.518,1208 4.865,1209 3.502,1210 3.313,1211 3.388,1212 3.176,1213 3.036,1214 4.504,1215 3.047,1216 3.25,1217 3.316,1218 3.12,1219 2.953,1220 4.064,1221 2.987,1222 3.083,1223 3.189,1224 2.836,1225 2.849,1226 4.038,1227 2.828,1228 2.834,1229 2.939,1230 2.552,1231 2.609,1232 3.772,1233 2.582,1234 2.45,1235 2.575,1236 2.227,1237 2.129,1238 3.39,1239 2.099,1240 2.386,1241 2.459,1242 2.041,1243 1.926,1244 3.048,1245 1.983,1246 0.293,1247 0.242,1248 0.431,1249 0.263,1250 0.202,1251 4.398,1252 0.272,1253 3.631,1254 0.113,1255 6.47,1256 0.667,1257 3.94,1258 0.185,1259 3.024,1260 4.086,1261 1.697,1262 10.003,1263 2.769,1264 1.699,1265 1.638,1266 1.964,1267 1.937,1268 1.242,1269 1.929,1270 1.629,1271 1.559,1272 1.796,1273 1.859,1274 0.93,1275 1.859,1276 1.535,1277 1.467,1278 1.729,1279 1.765,1280 0.834,1281 1.765,1282 1.187,1283 1.109,1284 1.531,1285 1.484,1286 0.694,1287 1.49,1288 1.04,1289 0.949,1290 1.343,1291 1.379,1292 0.359,1293 1.369,1294 0.863,1295 0.763,1296 1.245,1297 1.141,1298 0.316,1299 1.188,1300 0.517,1301 0.407,1302 1.007,1303 0.923,1304 0.174,1305 0.932,1306 0.391,1307 0.268,1308 0.764,1309 0.782,1311 0.821,1312 3.434,1314 4.635,1315 2.398,1316 6.028,1317 4.727,1318 7.526,1319 6.783,1320 9.086,1322 4.016,1327 8.499,1328 3.442,1330 5.467,1340 18.445,1341 51.432,1342 102.407,1343 140.955,1344 146.955,1345 148.955,1346 148.955,1347 21.064,1348 5.288,1349 50.63,1350 50.63,1351 5,1352 11.397,1353 2.807,1354 2.17,1355 31.263,1356 39,1357 48,1358 0.397,1359 120.357,1360 202.28,1361 285.432,1362 946,1364 11.096,1365 0.74,1366 0.621,1367 11.096,1368 9.31,1369 7.291,1370 0.486,1371 0.346,1372 5.057,1373 6.782,1374 4.899,1375 4.182,1376 7.291,1377 5.186,1378 5.617,1379 0.312,1380 0.194,1381 5.617,1382 3.488,1383 4.38,1384 0.199,1385 0.104,1386 4.38,1387 2.288,1388 3.415,1389 0.131,1390 0.053,1391 3.415,1392 1.373,1393 2.318,1394 0.097,1395 0.031,1396 2.318,1397 0.75,1398 0.614,1399 47.292,1400 0.324,1401 15.58,1402 1.097,1403 66,1404 217.508,1405 76.035,1406 202.391,1407 264.46,1408 188,1409 73,1410 186.86,1411 84.008,1412 186.39,1413 260.19,1414 171,1415 4.561}
{0 CHEMBL417915,1 1.417,2 11.821,3 5.121,4 26.227,5 112.365,6 6.659,7 0.387,8 4.123,9 4.253,10 3.605,11 3.644,12 5.117,13 3.605,14 4.709,15 4.908,16 4.027,17 4.088,18 5.666,19 4.031,20 4.973,21 5.168,22 4.111,23 4.303,24 5.876,25 4.209,26 5.18,27 5.441,28 4.015,29 4.333,30 6.039,31 4.194,32 5.109,33 5.368,34 3.806,35 4.177,36 6.014,37 4.011,38 4.953,39 5.264,40 3.595,41 3.875,42 5.756,43 3.724,44 4.474,45 4.69,46 3.57,47 3.652,48 5.508,49 3.585,50 4.515,51 4.728,52 3.549,53 3.629,54 5.672,55 3.571,56 0.046,57 0.825,58 13.348,59 5.404,60 10.253,61 7.616,62 0.417,63 1.377,64 25.258,65 9.033,66 35.681,67 13.166,68 0.212,69 1.748,70 32.509,71 12.322,72 29.916,73 17.676,74 0.352,75 1.964,76 41.087,77 14.282,78 48.734,79 21.204,80 0.364,81 1.698,82 38.574,83 13.947,84 57.463,85 20.002,86 0.465,87 1.324,88 34.15,89 11.001,90 50.422,91 16.098,92 0.295,93 0.962,94 20.579,95 6.669,96 29.309,97 9.472,98 0.398,99 0.952,100 21.951,101 6.597,102 50.785,103 9.152,104 38,105 47,106 0.234,107 0.55,108 0.74,109 0.827,110 0.835,111 0.835,112 3.375,113 0.964,114 -4.97,115 -4.87,116 -4.57,121 40.4,122 3,123 1,124 1,125 1,126 2,127 1,130 1,144 7,145 2,146 3,161 1,176 12,179 2,180 7,183 2,185 2,187 15,192 8,197 2,200 13,206 9,211 3,214 7,218 1,219 9,224 3,227 2,231 1,232 3,237 3,239 4,243 1,244 4,247 1,249 2,251 8,255 1,256 4,259 1,264 8,269 2,277 10,281 1182,282 18.341,283 18.341,284 18.341,285 18.341,286 18.341,287 16.826,288 29.648,289 10.308,290 18.705,291 15.234,292 15.234,293 15.234,294 15.234,295 15.234,296 12.822,297 39.43,298 4.841,299 15.818,300 4.415,301 2.496,302 1.341,303 0.816,304 0.768,305 0.768,306 4.063,311 1,312 1,313 722,314 3.873,317 115.541,318 157.251,320 93.176,321 98.739,324 138.017,325 1.776,326 19.195,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 59.5,338 331,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 4.126,349 3.675,350 6.211,351 3.792,352 2.804,353 3.691,354 0.966,355 8.83,356 2.777,357 3.979,358 2.993,359 6.169,360 3.643,361 2.688,362 3.319,363 0.693,364 8.46,365 2.563,366 3.748,367 2.823,368 5.931,369 3.465,370 2.504,371 2.999,372 0.366,373 8.248,374 2.396,375 3.557,376 2.743,377 5.541,378 3.355,379 2.416,380 2.786,382 7.467,383 2.259,384 3.422,385 2.531,386 5.29,387 3.183,388 2.241,389 2.517,391 6.741,392 2.098,393 3.236,394 2.415,395 4.792,396 2.84,397 1.859,398 2.382,400 5.03,401 1.803,402 2.616,403 1.746,404 4.593,405 2.417,406 1.469,407 1.63,409 4.332,410 1.386,411 2.519,412 1.314,413 4.213,414 2.223,415 1.228,416 1.523,418 3.06,419 1.219,420 2.5,421 1.171,422 3.77,423 2.127,424 1.133,425 1.5,427 2.909,428 1.126,429 2.45,430 1,431 3.721,432 2,433 1,434 1.439,436 2.275,437 1,438 1.785,439 0.933,440 3.414,441 1.694,442 0.729,443 0.761,445 1.823,446 0.702,447 1.283,448 0.741,449 3.088,450 1.011,451 0.089,452 0.102,454 0.243,455 0.081,456 1.21,457 0.396,458 2.982,459 0.804,460 -0.183,461 -0.224,463 -0.447,464 -0.178,465 0.762,466 -0.016,467 2.616,468 0.638,469 -0.305,470 -0.324,472 -0.75,473 -0.286,474 13.367,475 0.477,476 0.966,477 0.035,478 33.25,479 1.188,480 15,481 0.536,482 18.25,483 0.652,484 27.39,485 0.978,486 31.033,487 0.544,488 24.738,489 0.884,490 6.104,491 0.218,492 7.187,493 0.257,494 0.212,495 0.037,496 0.359,501 0.813,502 1.444,503 0.884,504 1.197,505 0.666,506 1.066,507 0.699,508 0.893,509 0.802,510 0.805,511 0.389,512 0.8,513 0.987,514 1.339,515 1.084,516 1.231,517 0.726,518 1.178,519 0.96,520 1.017,521 1.049,522 1.045,523 0.665,524 1.042,525 1.083,526 1.163,527 1.093,528 1.223,529 1.282,530 1.177,531 1.367,532 0.674,533 0.755,534 0.644,535 1.236,536 0.641,537 1.639,538 1.023,539 1.051,540 0.991,541 1.584,542 0.959,543 2.356,544 0.876,545 1.199,546 0.866,547 3.126,548 0.902,549 7.5,550 0.159,551 4.444,552 3.771,553 1.668,554 1,555 0.612,556 0.387,557 0.324,558 0.262,559 10186,560 20372,561 2.043,562 50.9,563 10,564 15,565 1,567 1,569 2,572 1.706,573 1.856,574 3.469,575 -0.394,582 80.796,583 1.417,584 3.336,585 4.492,586 5.017,587 5.065,588 5.065,589 2.955,590 4.593,591 4.779,592 3.682,593 1391.81,594 8.283,595 18463.1,600 332.475,601 1.708,602 4.703,603 0.242,604 0.007,605 0.095,606 0.077,607 0.04,608 0.032,609 0.023,610 0.014,611 0.012,612 0.011,613 0.553,614 0.33,615 1,616 0.82,617 141.427,618 0.009,619 -0.205,620 0.074,621 -0.072,622 -0.059,623 -0.005,624 0.299,625 0.266,626 0.19,627 0.218,628 0.261,629 0.198,630 -0.072,631 -0.232,632 -0.116,633 -0.179,634 -0.02,635 -0.159,636 -0.067,637 0.001,638 -0.072,639 -0.074,640 0.072,641 -0.066,642 0.019,643 -0.233,644 -0.106,645 -0.238,646 -0.039,647 -0.195,648 0.023,649 0.156,650 0.276,651 0.265,652 -0.005,653 0.293,654 0.005,655 0.019,656 0.003,657 -0.029,658 -0.043,659 -0.016,660 -0.176,661 0.132,662 -0.092,663 0.063,664 -0.195,665 0.003,666 2.131,667 5.373,668 0.643,669 25.617,670 0.99,671 1.128,672 3.735,673 13.952,674 0.646,675 3.466,676 3.871,677 4.19,678 4.511,679 4.71,680 4.804,681 4.97,682 5.024,683 5.004,684 5.081,685 6.925,686 0.602,687 379.55,688 3.466,689 5.056,690 5.943,691 6.87,692 7.779,693 8.715,694 9.638,695 10.579,696 11.512,697 12.458,698 5.3,701 1,704 1,705 1,715 7,720 5,722 12,736 1,737 1,741 57,743 13,744 2,745 31,747 60,748 23,749 12,750 5,751 7,756 4,757 7,763 3,764 1,766 1,767 1,770 1,772 13,773 10,774 1,777 1,782 1,786 1,793 29,794 5,795 1,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 5,868 28,876 2,877 1,878 1,880 2,881 2,882 1,893 3.5,896 1,898 1,901 15.083,902 11.733,903 5.931,904 3.517,907 2.192,908 1.281,909 0.953,910 4.883,911 10.002,912 3.664,913 4.248,914 4.775,915 5.322,916 5.813,917 6.006,918 6.334,919 6.552,920 6.63,921 6.861,922 0.875,923 49,924 10.393,926 4.447,927 0.026,929 7.568,931 20.351,933 17.325,936 2.068,937 57.917,940 1,941 329.591,942 138.133,943 24.259,945 36.145,948 138.133,949 365.736,950 24.259,951 43.268,952 22.651,953 66.334,954 25.145,955 34.377,956 18.534,957 317.82,959 329.591,960 162.392,961 36.145,964 306.049,965 59.687,968 52.251,969 110.141,972 329.591,973 60.404,974 138.133,977 329.591,978 28.531,979 115.851,980 18.011,981 36.145,982 329.591,983 60.404,984 138.133,986 0.605,987 0.361,988 0.195,989 0.101,990 25,991 12,992 0.067,993 4,994 2,995 1.222,996 3.892,997 250.349,998 0.222,999 18,1000 128.606,1005 19.285,1006 7.089,1007 3.326,1009 60.404,1010 13.856,1015 5.039,1017 18.011,1018 528.128,1019 38,1024 12.373,1028 -0.464,1031 56.447,1032 64.311,1034 0.243,1035 0.572,1036 0.77,1037 0.86,1038 0.868,1039 0.868,1040 4.97,1041 1.469,1042 5.999,1043 5.03,1044 4.554,1045 4.934,1046 2.466,1047 6.934,1048 4.484,1049 6.195,1050 1.228,1051 7.646,1052 4.332,1053 4.443,1054 4.856,1055 1.905,1056 8.289,1057 4.349,1058 7.535,1059 1.133,1060 9.409,1061 3.06,1062 6.304,1063 7.057,1064 3.531,1065 11.445,1066 6.177,1067 8.909,1068 1,1069 11.246,1070 2.909,1071 7.004,1072 7.72,1073 3.612,1074 13.714,1075 6.864,1076 10.318,1077 0.729,1078 13.136,1079 2.275,1080 8.438,1081 9.484,1082 4.913,1083 16.533,1084 8.274,1085 11.753,1086 0.089,1087 15.067,1088 1.823,1089 9.493,1090 10.492,1091 5.293,1092 19.126,1093 9.318,1094 13.211,1095 -0.183,1096 17.031,1097 0.243,1098 10.811,1099 12.078,1100 6.388,1101 21.874,1102 10.616,1103 3.737,1104 -0.305,1105 19.02,1106 -0.447,1107 12.018,1108 13.269,1109 6.931,1110 24.564,1111 11.809,1112 2.804,1113 15.306,1114 21.03,1115 -0.75,1116 13.315,1117 14.771,1118 7.902,1119 27.297,1120 13.087,1121 2.688,1122 8.83,1123 23.056,1124 4.206,1125 14.585,1126 16.063,1127 8.539,1128 30.014,1129 14.339,1130 2.504,1131 8.46,1132 25.094,1133 3.691,1134 15.886,1135 17.524,1136 9.436,1137 32.744,1138 15.621,1139 2.416,1140 8.248,1141 27.143,1142 3.319,1143 17.183,1144 18.875,1145 10.13,1146 35.469,1147 16.897,1148 2.241,1149 7.467,1150 29.199,1151 2.999,1152 18.49,1153 20.317,1154 10.981,1155 38.197,1156 18.184,1157 1.859,1158 6.741,1159 31.261,1160 2.786,1161 19.798,1162 21.701,1163 11.71,1164 40.924,1165 19.471,1166 9739,1167 13941,1168 19.997,1169 36.824,1170 48.239,1171 49.069,1172 50.641,1173 47.768,1174 47.796,1175 57.711,1176 8.422,1177 149.448,1178 46.134,1179 5.797,1180 5.973,1181 7.42,1182 5.806,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 16.932,1189 1.556,1190 1.583,1191 1.634,1192 1.541,1193 1.542,1194 1.862,1195 0.272,1196 4.821,1197 1.488,1198 4.094,1199 4.132,1200 4.041,1201 3.998,1202 7.435,1203 4.003,1204 3.947,1205 3.981,1206 3.882,1207 3.881,1208 4.844,1209 3.876,1210 3.703,1211 3.745,1212 3.621,1213 3.564,1214 4.74,1215 3.568,1216 3.541,1217 3.606,1218 3.421,1219 3.388,1220 4.446,1221 3.379,1222 3.355,1223 3.414,1224 3.238,1225 3.097,1226 4.183,1227 3.125,1228 3.265,1229 3.354,1230 3.09,1231 3.045,1232 4.107,1233 3.038,1234 3.213,1235 3.281,1236 3.03,1237 2.956,1238 3.906,1239 2.983,1240 2.976,1241 3.093,1242 2.687,1243 2.761,1244 3.865,1245 2.726,1246 0.156,1247 0.128,1248 0.258,1249 0.152,1250 0.121,1251 4.832,1252 0.136,1253 3.973,1254 0.071,1255 8.006,1256 0.494,1257 4.714,1258 0.118,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.94,1265 1.911,1266 2.069,1267 2.037,1268 1.31,1269 2.046,1270 1.901,1271 1.881,1272 2.003,1273 1.986,1274 1.252,1275 1.992,1276 1.633,1277 1.577,1278 1.833,1279 1.836,1280 1.058,1281 1.837,1282 1.545,1283 1.479,1284 1.798,1285 1.762,1286 1.013,1287 1.779,1288 1.53,1289 1.45,1290 1.786,1291 1.726,1292 0.909,1293 1.751,1294 1.244,1295 1.18,1296 1.58,1297 1.532,1298 0.644,1299 1.538,1300 1.111,1301 1.056,1302 1.453,1303 1.42,1304 0.563,1305 1.396,1306 1.014,1307 0.899,1308 1.417,1309 1.291,1310 0.469,1311 1.353,1312 4.143,1314 5.525,1315 3.045,1316 7.098,1317 5.638,1318 8.762,1319 7.921,1320 10.484,1322 10.923,1328 2.173,1329 2.816,1330 5.595,1332 0.816,1333 4.733,1334 0.057,1340 34.342,1341 80.796,1342 190.178,1343 256.029,1344 285.945,1345 288.7,1346 288.7,1347 44.948,1348 7.81,1349 44.81,1350 44.81,1351 22,1352 12.952,1353 3.807,1354 3,1355 42.777,1356 117,1357 120,1358 0.18,1359 209.704,1360 367.32,1361 503.439,1362 26906,1364 20.052,1365 0.716,1366 0.619,1367 20.052,1368 17.321,1369 13.292,1370 0.429,1371 0.321,1372 9.834,1373 12.837,1374 9.381,1375 7.871,1376 13.292,1377 9.958,1378 12.958,1379 0.276,1380 0.183,1381 12.958,1382 8.603,1383 10.92,1384 0.168,1385 0.097,1386 10.92,1387 6.336,1388 9.56,1389 0.106,1390 0.054,1391 9.56,1392 4.82,1393 7.319,1394 0.067,1395 0.029,1396 7.319,1397 3.147,1398 0.286,1399 82.833,1400 0.224,1401 26.84,1402 0.48,1403 156,1404 377.094,1405 169.359,1406 366.997,1407 513.49,1408 344,1409 190,1410 393.092,1411 203.642,1412 401.676,1413 592.69,1414 375,1415 6.12}
{0 CHEMBL418643,1 1.507,2 8.76,3 4.823,4 23.263,5 99.169,6 7.578,7 0.607,8 3.89,9 4.005,10 3.483,11 3.49,12 5.005,13 3.46,14 4.423,15 4.579,16 3.833,17 3.905,18 5.592,19 3.85,20 4.71,21 4.925,22 3.912,23 4.032,24 5.703,25 3.954,26 4.736,27 4.961,28 3.822,29 3.967,30 5.753,31 3.885,32 4.663,33 4.884,34 3.778,35 3.947,36 5.63,37 3.857,38 4.684,39 4.907,40 3.791,41 3.968,42 5.738,43 3.865,44 4.693,45 4.925,46 3.727,47 3.942,48 5.664,49 3.835,50 4.65,51 4.88,52 3.583,53 3.797,54 5.736,55 3.695,56 0.115,57 0.636,58 8.525,59 3.98,60 7.753,61 5.208,62 0.146,63 1.045,64 15.812,65 7.025,66 38.581,67 9.345,68 0.117,69 1.359,70 23.303,71 9.171,72 27.115,73 12.763,74 0.277,75 1.376,76 24.969,77 8.743,78 43.563,79 11.978,80 0.241,81 1.281,82 22.822,83 8.599,84 30.438,85 11.751,86 0.342,87 1.271,88 23.433,89 9.146,90 43.376,91 12.754,92 0.163,93 1.239,94 24.138,95 9.638,96 33.854,97 13.171,98 0.283,99 1.149,100 24.002,101 8.636,102 56.472,103 11.393,104 6,105 39,106 0.258,107 0.579,108 0.729,109 0.83,110 0.856,111 0.856,112 3.268,113 0.921,114 -4.84,115 -4.75,116 -4.46,121 45.5,123 4,127 1,144 8,145 3,146 2,148 2,168 2,176 12,179 1,180 6,185 3,187 13,192 10,197 4,200 9,206 5,209 1,211 5,214 7,218 1,219 1,222 1,224 3,227 13,231 2,232 4,235 2,239 15,244 7,251 15,256 11,264 12,269 9,277 7,281 975,282 17.206,283 17.206,284 17.206,285 17.206,286 17.206,287 14.891,288 18.542,289 10.271,290 17.366,291 13.854,292 13.854,293 13.854,294 13.854,295 13.854,296 10.318,297 20.9,298 4.899,299 14.114,300 3.952,301 2.073,302 1.199,303 0.608,304 0.455,305 0.455,306 3.971,311 1,312 1,313 479,314 2.915,318 215.029,322 167.134,325 1.168,326 22.727,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 53.5,338 219,339 4.664,340 3.782,341 6.84,342 4.225,343 3.245,344 4.6,345 2.612,346 11.393,347 3.179,348 4.198,349 3.361,350 6.077,351 3.726,352 2.75,353 3.834,354 0.657,355 8.737,356 2.684,357 3.897,358 2.761,359 5.79,360 3.514,361 2.522,362 3.445,364 7.675,365 2.504,366 3.826,367 2.67,368 5.414,369 3.365,370 2.384,371 3.327,373 7.036,374 2.334,375 3.511,376 2.304,377 5.302,378 3.097,379 2.14,380 2.886,382 6.623,383 2.045,384 2.963,385 1.893,386 4.141,387 2.511,388 1.521,389 2.106,391 3.385,392 1.505,393 2.924,394 1.665,395 3.934,396 2.438,397 1.446,398 2.085,400 3.319,401 1.434,402 2.602,403 1.507,404 3.758,405 2.268,406 1.269,407 1.635,409 3.105,410 1.267,411 2.5,412 1.395,413 3.63,414 2.202,415 1.208,416 1.5,418 2.877,419 1.199,420 2.496,421 1.159,422 3.541,423 2,424 1,425 1.493,427 2.469,428 1,429 2.145,430 1,431 3.247,432 1.965,433 1,434 1.116,436 2.136,437 0.962,438 1.726,439 1,440 3.061,441 1.42,442 0.454,443 0.557,445 1.093,446 0.437,447 1.28,448 0.599,449 2.834,450 0.904,451 -0.059,452 -0.074,454 -0.159,455 -0.056,456 1,457 0.165,458 2.525,459 0.599,460 -0.38,461 -0.483,463 -0.961,464 -0.371,465 0.968,466 -0.276,467 2.305,468 0.353,469 -0.633,470 -0.787,472 -1.48,473 -0.624,474 11.867,475 0.475,476 0.538,477 0.022,478 35.25,479 1.41,480 19.5,481 0.78,482 15.75,483 0.63,484 18.523,485 0.741,486 25.933,487 0.589,488 24.343,489 0.974,490 6.654,491 0.266,492 5.566,493 0.223,494 0.056,496 0.329,501 0.377,502 1.038,503 0.735,504 0.915,505 0.458,506 0.884,507 0.488,508 1.178,509 0.844,510 1.072,511 0.346,512 1.018,513 0.63,514 1.187,515 0.855,516 1.052,517 0.431,518 0.99,519 1.078,520 1.057,521 1.069,522 0.986,523 0.898,524 1.008,525 0.848,526 0.944,527 1.012,528 0.987,529 0.726,530 1.008,531 0.516,532 0.936,533 0.934,534 1.017,535 0.516,536 1.031,537 0.78,538 0.997,539 0.916,540 1.051,541 0.818,542 1.014,543 1.402,544 0.986,545 1.131,546 1.027,547 1.553,548 1.044,549 4,550 0.037,551 2.667,552 1.313,553 1.462,554 0.847,555 0.608,556 0.328,557 0.225,558 0.135,559 6786,560 17732,561 2.154,562 43.2,563 6,564 10,567 1,568 2,572 1.687,573 2.055,574 3.117,575 -0.356,582 66.311,583 1.507,584 3.386,585 4.26,586 4.851,587 5.005,588 5.005,589 2.469,590 4.404,591 4.613,592 3.257,593 977.097,594 8.019,595 11627.4,597 1,600 240.215,601 1.26,602 4.592,603 0.143,604 0.005,605 0.068,606 0.032,607 0.041,608 0.024,609 0.017,610 0.01,611 0.008,612 0.008,613 0.357,614 0.17,615 1,616 0.663,617 118.305,618 0.25,619 0.09,620 0.062,621 0.085,622 0.034,623 0.045,624 0.159,625 -0.125,626 0.006,627 -0.068,628 0.231,629 -0.056,630 0.021,631 -0.169,632 0.07,633 -0.071,634 0.075,635 -0.006,636 -0.117,637 -0.019,638 -0.095,639 -0.045,640 -0.071,641 -0.061,642 -0.03,643 0.082,644 -0.062,645 -0.023,646 -0.041,647 -0.041,648 0.24,649 0.055,650 0.014,651 -0.031,652 0.157,653 -0.041,654 0.008,655 -0.064,656 0.05,657 -0.043,658 -0.012,659 0.003,660 -0.169,661 -0.056,662 -0.108,663 -0.051,664 -0.186,665 -0.068,666 2.347,667 4.189,668 0.8,669 20.48,670 1.001,671 1.119,672 3.613,673 13.055,674 0.682,675 3.367,676 3.689,677 3.989,678 4.277,679 4.595,680 4.71,681 4.89,682 5.043,683 5.176,684 5.13,685 5.455,686 0.652,687 333.42,688 3.367,689 4.905,690 5.765,691 6.648,692 7.531,693 8.424,694 9.319,695 10.219,696 11.119,697 12.024,698 6.8,703 1,708 1,709 1,714 2,715 8,716 1,720 5,722 17,734 1,735 1,741 44,743 19,744 2,745 28,747 47,748 20,749 15,750 4,751 8,756 4,757 7,767 4,770 4,772 15,773 5,777 2,779 1,782 2,793 19,794 4,795 1,796 5,802 3,808 0.5,809 2,822 1,829 4,833 2,859 2,868 25,876 5,877 1,893 4.5,899 2,901 12.167,902 7.9,903 5.472,904 2.835,907 3.44,908 1.454,909 1.021,910 4.268,911 11.025,912 3.676,913 4.317,914 4.925,915 5.537,916 6.183,917 6.561,918 7.012,919 7.424,920 7.837,921 7.966,922 0.833,923 41,924 9.253,926 4.008,927 0.026,929 7.767,931 17.834,933 15.067,936 2.267,937 56.667,940 1,941 211.88,942 107.412,943 40.466,945 50.747,948 107.412,949 262.627,950 40.466,951 5.67,952 12.244,953 75.81,954 34.796,955 19.358,957 211.88,958 50.747,959 211.88,960 147.879,961 50.747,964 211.88,966 50.747,968 17.145,969 90.268,970 40.466,972 211.88,973 91.213,974 107.412,977 211.88,978 31.602,979 81.48,980 18.011,981 67.532,982 211.88,983 91.213,984 107.412,986 0.578,987 0.338,988 0.185,989 0.109,990 20,991 8,992 0.085,993 4,994 2,995 1.2,996 3.689,997 216.599,998 0.2,999 20,1000 110.096,1005 15.891,1006 6.715,1007 3.167,1008 1.66,1009 85.543,1010 15.114,1011 4.769,1015 4.64,1017 18.011,1018 410.505,1019 38.5,1021 -0.347,1024 22.378,1031 44.029,1032 49.235,1034 0.276,1035 0.62,1036 0.78,1037 0.889,1038 0.917,1039 0.917,1040 4.9,1041 1.269,1042 5.74,1043 3.319,1044 4.369,1045 5.004,1046 2.57,1047 6.558,1048 4.331,1049 6.115,1050 1.208,1051 7.298,1052 3.105,1053 3.892,1054 4.89,1055 2.361,1056 7.479,1057 3.829,1058 7.434,1059 1,1060 8.961,1061 2.877,1062 5.958,1063 7.282,1064 4.16,1065 10.611,1066 5.879,1067 8.792,1068 1,1069 10.688,1070 2.469,1071 6.33,1072 8.012,1073 4.506,1074 12.394,1075 6.223,1076 10.185,1077 0.454,1078 12.456,1079 2.136,1080 7.847,1081 9.875,1082 5.948,1083 15.047,1084 7.727,1085 11.602,1086 -0.059,1087 14.253,1088 1.093,1089 8.623,1090 10.998,1091 6.556,1092 17.192,1093 8.477,1094 13.038,1095 -0.38,1096 16.071,1097 -0.159,1098 9.914,1099 12.65,1100 7.794,1101 19.692,1102 9.753,1103 3.245,1104 -0.633,1105 17.905,1106 -0.961,1107 10.89,1108 13.969,1109 8.548,1110 21.997,1111 10.704,1112 2.75,1113 11.393,1114 19.751,1115 -1.48,1116 12.091,1117 15.534,1118 9.67,1119 24.447,1120 11.889,1121 2.522,1122 8.737,1123 21.607,1124 4.6,1125 13.165,1126 16.953,1127 10.509,1128 26.822,1129 12.939,1130 2.384,1131 7.675,1132 23.472,1133 3.834,1134 14.334,1135 18.484,1136 11.563,1137 29.257,1138 14.091,1139 2.14,1140 7.036,1141 25.344,1142 3.445,1143 15.456,1144 19.953,1145 12.452,1146 31.663,1147 15.19,1148 1.521,1149 6.623,1150 27.223,1151 3.327,1152 16.619,1153 21.474,1154 13.468,1155 34.094,1156 16.334,1157 1.446,1158 3.385,1159 29.107,1160 2.886,1161 17.764,1162 22.969,1163 14.386,1164 36.514,1165 17.458,1166 6443,1167 10581,1168 19.186,1169 30.017,1170 41.902,1171 43.469,1172 42.709,1173 41.888,1174 41.875,1175 57.172,1176 6.539,1177 119.696,1178 41.101,1179 5.61,1180 5.782,1181 6.642,1182 5.266,1183 5.245,1184 7.6,1185 4.612,1186 18.928,1187 5.179,1188 9.013,1189 1.497,1190 1.552,1191 1.525,1192 1.496,1193 1.496,1194 2.042,1195 0.234,1196 4.275,1197 1.468,1198 4.138,1199 4.166,1200 4.106,1201 4.052,1202 7.815,1203 4.06,1204 3.902,1205 3.935,1206 3.83,1207 3.841,1208 6.999,1209 3.833,1210 3.811,1211 3.85,1212 3.753,1213 3.67,1214 4.955,1215 3.669,1216 3.54,1217 3.581,1218 3.462,1219 3.26,1220 4.75,1221 3.29,1222 3.334,1223 3.404,1224 3.222,1225 3.086,1226 4.349,1227 3.122,1228 3.08,1229 3.163,1230 2.949,1231 2.949,1232 4.169,1233 2.935,1234 3.069,1235 3.124,1236 2.909,1237 2.844,1238 3.94,1239 2.861,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.718,1245 2.715,1246 0.167,1247 0.135,1248 0.244,1249 0.151,1250 0.116,1251 4.664,1252 0.164,1253 3.782,1254 0.093,1255 6.84,1256 0.407,1257 4.225,1258 0.114,1259 3.245,1260 4.6,1261 2.612,1262 11.393,1263 3.179,1264 2.08,1265 2.056,1266 2.157,1267 2.189,1268 1.435,1269 2.176,1270 1.904,1271 1.874,1272 2.034,1273 1.995,1274 1.179,1275 2.007,1276 1.772,1277 1.73,1278 1.947,1279 1.955,1280 1.127,1281 1.94,1282 1.393,1283 1.341,1284 1.58,1285 1.711,1286 0.766,1287 1.649,1288 1.236,1289 1.179,1290 1.448,1291 1.527,1292 0.696,1293 1.512,1294 1.11,1295 1.037,1296 1.392,1297 1.319,1298 0.574,1299 1.365,1300 1.011,1301 0.957,1302 1.21,1303 1.241,1304 0.246,1305 1.252,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 4.043,1314 5.361,1316 6.895,1318 8.529,1320 10.22,1328 4.918,1329 3.536,1340 28.708,1341 66.311,1342 148.996,1343 187.46,1344 213.46,1345 220.215,1346 220.215,1347 38.487,1348 7.585,1349 70.74,1350 70.74,1351 24,1352 12.544,1353 4.322,1354 3.524,1355 35.606,1356 77,1357 90,1358 0.218,1359 175.072,1360 299.24,1361 418.937,1362 20067,1364 17.225,1365 0.689,1366 0.555,1367 17.225,1368 13.865,1369 12.22,1370 0.436,1371 0.307,1372 8.52,1373 11.846,1374 8.362,1375 6.912,1376 12.22,1377 8.599,1378 10.93,1379 0.28,1380 0.165,1381 10.93,1382 6.417,1383 9.338,1384 0.176,1385 0.09,1386 9.338,1387 4.768,1388 7.856,1389 0.111,1390 0.049,1391 7.856,1392 3.514,1393 6.871,1394 0.07,1395 0.027,1396 6.871,1397 2.666,1398 0.33,1399 76.083,1400 0.228,1401 23.811,1402 0.636,1403 134,1404 375.094,1405 143.951,1406 367.913,1407 503.97,1408 342,1409 159,1410 380.872,1411 169.315,1412 382.593,1413 557.12,1414 361,1415 5.796}
{0 CHEMBL418712,1 1.415,2 18.903,3 7.02,4 49.278,5 139.766,6 6.395,7 0.313,8 4.319,9 4.454,10 3.819,11 3.853,12 5.18,13 3.743,14 4.914,15 5.137,16 4.047,17 4.222,18 5.66,19 4.061,20 5.099,21 5.336,22 4.021,23 4.309,24 5.802,25 4.095,26 5.224,27 5.534,28 3.999,29 4.327,30 5.803,31 4.071,32 5.04,33 5.288,34 3.861,35 4.222,36 5.73,37 4.009,38 5.067,39 5.349,40 3.768,41 4.218,42 5.656,43 3.956,44 4.931,45 5.204,46 3.77,47 4.135,48 5.521,49 3.872,50 4.979,51 5.275,52 3.608,53 4.104,54 5.525,55 3.82,56 0.087,57 1.007,58 20.011,59 8.047,60 11.824,61 10.725,62 0.291,63 1.617,64 40.351,65 13.525,66 22.476,67 17.488,68 0.506,69 1.767,70 46.414,71 16.382,72 31.641,73 21.071,74 0.291,75 1.912,76 51.005,77 18.363,78 29.208,79 23.621,80 0.401,81 1.625,82 43.243,83 15.198,84 29.88,85 19.292,86 0.306,87 1.7,88 45.397,89 15.758,90 23.446,91 20.637,92 0.225,93 1.498,94 38.766,95 14.614,96 18.93,97 18.455,98 0.301,99 1.535,100 46.249,101 15.466,102 20.345,103 18.753,104 25,105 39,106 0.224,107 0.41,108 0.604,109 0.649,110 0.685,111 0.697,112 3.469,113 1.307,114 -4.4,115 -4.33,116 -4.08,121 34.2,123 7,126 4,127 6,144 4,154 4,176 8,180 4,187 7,191 2,192 4,200 8,206 2,214 7,219 2,227 6,232 4,239 7,244 2,251 6,256 4,264 6,269 4,277 4,281 2034,282 20.811,283 20.811,284 20.811,285 20.811,286 20.811,287 19.623,288 23.523,289 13.377,290 21.446,291 15.916,292 15.916,293 15.916,294 15.916,295 15.916,296 14.072,297 29.993,298 6.556,299 16.86,300 4.775,301 3.604,302 2.383,303 2.096,304 1.87,305 1.795,306 4.141,312 1,313 1202,314 4.796,317 232.461,325 3.08,326 12.137,329 1,330 0.67,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.83,337 65,338 586,339 4.124,340 4.249,341 5.675,342 3.75,343 2.763,344 3.735,345 3.272,346 7.971,347 2.728,348 4.124,349 4.249,350 5.675,351 3.75,352 2.763,353 3.735,354 3.272,355 7.971,356 2.728,357 3.371,358 2.996,359 5.03,360 3.178,361 2.244,362 2.507,363 0.916,364 6.084,365 2.098,366 3.371,367 2.996,368 5.03,369 3.178,370 2.244,371 2.507,372 0.916,373 6.084,374 2.097,375 2.962,376 2.69,377 4.338,378 2.924,379 1.946,380 1.976,381 0.172,382 4.345,383 1.908,384 2.925,385 2.689,386 4.338,387 2.749,388 1.833,389 1.958,390 0.172,391 4.344,392 1.677,393 2.886,394 2.249,395 3.942,396 2.686,397 1.752,398 1.911,400 3.871,401 1.627,402 2.743,403 2.247,404 3.781,405 2.625,406 1.653,407 1.751,409 3.522,410 1.598,411 2.499,412 1.858,413 3.543,414 2.354,415 1.438,416 1.499,418 3.002,419 1.294,420 2.25,421 1.733,422 3.305,423 2.011,424 1.135,425 1.204,427 2.367,428 0.965,429 2.207,430 1.696,431 3.275,432 1.781,433 0.826,434 1.083,436 1.837,437 0.778,438 2.129,439 1.402,440 3.219,441 1.728,442 0.735,443 1.03,445 1.729,446 0.728,447 1.796,448 0.846,449 2.936,450 1.592,451 0.662,452 0.758,454 1.479,455 0.604,456 1.409,457 0.759,458 2.64,459 1.27,460 0.345,461 0.363,463 0.739,464 0.312,465 1.03,466 0.752,467 2.431,468 0.903,469 -0.033,470 -0.034,472 -0.072,473 -0.03,474 15.633,475 0.504,476 0.561,477 0.018,478 26.5,479 0.855,480 8,481 0.258,482 18.5,483 0.597,484 38.049,485 1.227,486 37.167,487 0.509,488 13.676,489 0.441,490 3.936,491 0.127,492 11.089,493 0.358,494 0.128,496 0.179,501 0.919,502 1.48,503 0.91,504 1.181,505 0.921,506 1.216,507 1.339,508 1.083,509 1.313,510 1.185,511 0.895,512 1.056,513 1.314,514 1.133,515 1.128,516 1.157,517 1.453,518 1.197,519 0.567,520 0.91,521 0.86,522 0.92,523 0.485,524 0.849,525 1.797,526 0.966,527 1.201,528 1.023,529 1.726,530 1.049,531 0.78,532 1.098,533 1.173,534 1.183,535 0.936,536 1.116,537 0.757,538 1.074,539 1.065,540 1.1,541 0.863,542 1.102,543 0.904,544 1.013,545 1.524,546 1.301,547 0.838,548 1.001,549 5.5,550 0.09,551 1.111,552 1.514,553 0.65,554 0.647,555 0.234,556 0.175,557 0.137,558 0.109,559 17954,560 37360,561 1.978,562 57.5,563 10,564 28,569 4,572 1.722,573 1.879,574 4.171,575 -0.799,582 103.283,583 1.415,584 2.586,585 3.807,586 4.094,587 4.32,588 4.395,589 3.599,590 3.857,591 4.928,592 4.411,593 2051.13,594 8.525,595 36945.8,600 451.857,601 1.22,602 4.898,603 0.172,604 0.004,605 0.028,606 0.047,607 0.02,608 0.022,609 0.009,610 0.007,611 0.006,612 0.005,613 0.321,614 0.17,615 0.75,616 1.051,617 174.083,618 0.066,619 -0.201,620 0.094,621 -0.041,622 0.091,623 -0.033,624 -0.092,625 0.095,626 -0.09,627 -0.04,628 0.126,630 0.023,631 -0.105,632 -0.089,633 -0.111,634 -0.156,635 -0.167,636 0.112,637 0.028,638 0.147,639 0.082,640 0.257,641 0.129,642 -0.244,643 0.035,644 -0.128,645 0.017,646 -0.268,647 -0.046,648 -0.03,649 -0.096,650 -0.093,651 -0.112,652 -0.122,653 -0.1,654 -0.02,655 -0.074,656 -0.006,657 -0.023,658 -0.055,659 -0.069,660 -0.064,661 0.006,662 -0.154,663 -0.075,664 -0.032,665 0.017,666 0.62,667 2.363,668 0.323,669 45.432,670 0.982,671 1.131,672 3.168,673 10.036,674 0.636,675 3.497,676 3.689,677 3.761,678 3.951,679 3.892,680 3.912,681 3.892,682 3.689,683 3.664,684 3.638,685 11.202,686 0.567,687 466.83,688 3.497,689 4.963,690 5.72,691 6.526,692 7.303,693 8.118,694 8.906,695 9.725,696 10.522,697 11.344,698 2.7,701 2,715 4,718 2,720 4,722 10,741 73,743 10,745 32,747 74,748 25,749 8,756 2,757 2,770 7,772 8,773 17,792 2,793 42,794 4,796 6,797 2,802 2,808 1,809 2,828 2,855 2,859 2,860 2,862 2,864 4,868 31,876 13,879 2,881 2,893 2.7,898 2,901 16.5,902 13.9,903 7.167,904 4.556,907 1.418,908 1.206,909 0.918,910 13.957,911 8.29,912 3.638,913 4.034,914 4.391,915 4.868,916 4.846,917 4.924,918 4.965,919 4.623,920 4.613,921 4.603,922 1,923 32,924 11.529,926 4.453,927 0.026,929 7.333,931 23.33,933 18.277,936 1.833,937 56.833,941 494.386,942 183.277,943 6.249,945 19.015,947 64.439,948 118.838,949 513.401,950 6.249,951 33.586,952 25.552,953 37.905,955 25.263,956 21.795,957 558.825,959 494.386,960 125.086,961 19.015,962 64.439,964 447.302,965 66.099,968 31.801,969 93.286,971 64.439,972 494.386,973 25.263,974 183.277,977 494.386,978 111.786,979 77.739,981 19.015,982 494.386,983 25.263,984 183.277,986 0.546,987 0.273,988 0.149,989 0.073,990 12,991 6,992 0.243,993 18,995 1,996 4.713,997 218.669,999 10,1000 119.58,1001 2,1005 26.756,1006 16.171,1007 12.959,1009 25.263,1010 8.462,1013 11.726,1015 4.352,1018 702.926,1019 37,1031 71.683,1032 82.559,1034 0.229,1035 0.418,1036 0.615,1037 0.661,1038 0.698,1039 0.71,1040 4.816,1041 1.653,1042 5.624,1043 3.871,1044 4.369,1045 4.718,1046 3.847,1047 6.24,1048 4.275,1049 5.91,1050 1.438,1051 7.05,1052 3.522,1053 3.611,1054 4.205,1055 0.57,1056 6.676,1057 3.519,1058 7.124,1059 1.135,1060 8.567,1061 3.002,1062 5.765,1063 6.647,1064 6.135,1065 9.726,1066 5.617,1067 8.373,1068 0.826,1069 10.138,1070 2.367,1071 5.832,1072 7.09,1073 0.674,1074 11.046,1075 5.709,1076 9.662,1077 0.735,1078 11.747,1079 1.837,1080 7.398,1081 8.924,1082 8.5,1083 13.53,1084 7.223,1085 10.977,1086 0.662,1087 13.383,1088 1.729,1089 7.897,1090 9.825,1091 0.66,1092 15.246,1093 7.753,1094 12.316,1095 0.345,1096 15.038,1097 1.479,1098 9.184,1099 11.386,1100 10.87,1101 17.501,1102 8.998,1103 2.763,1104 -0.033,1105 16.709,1106 0.739,1107 9.922,1108 12.507,1109 0.611,1110 19.404,1111 9.762,1112 2.763,1113 7.971,1114 18.391,1115 -0.072,1116 11.07,1117 13.94,1118 13.241,1119 21.558,1120 10.877,1121 2.244,1122 7.971,1123 20.082,1124 3.735,1125 11.938,1126 15.165,1127 0.55,1128 23.551,1129 11.762,1130 2.244,1131 6.084,1132 21.78,1133 3.735,1134 13.016,1135 16.538,1136 15.613,1137 25.661,1138 12.816,1139 1.946,1140 6.084,1141 23.484,1142 2.507,1143 13.954,1144 17.811,1145 0.487,1146 27.696,1147 13.761,1148 1.833,1149 4.345,1150 25.193,1151 2.507,1152 14.999,1153 19.156,1154 17.984,1155 29.786,1156 14.787,1157 1.752,1158 4.344,1159 26.905,1160 1.976,1161 15.973,1162 20.452,1163 0.427,1164 31.842,1165 15.762,1166 17802,1167 25812,1168 21.148,1169 46.444,1170 45.213,1171 50.961,1172 45.204,1173 44.725,1174 44.674,1175 52.034,1176 17.445,1177 110.693,1178 42.286,1179 5.097,1180 6.142,1181 5.628,1182 4.85,1183 4.763,1184 6.346,1185 6.545,1186 13.548,1187 4.644,1188 16.455,1189 1.413,1190 1.593,1191 1.413,1192 1.398,1193 1.396,1194 1.626,1195 0.545,1196 3.459,1197 1.321,1198 3.969,1199 3.987,1200 4.007,1201 3.838,1202 5.044,1203 3.838,1204 3.93,1205 3.943,1206 3.97,1207 3.795,1208 5.024,1209 3.802,1210 3.787,1211 3.847,1212 3.738,1213 3.673,1214 4.279,1215 3.652,1216 3.622,1217 3.686,1218 3.723,1219 3.539,1220 4.267,1221 3.484,1222 3.551,1223 3.636,1224 3.536,1225 3.386,1226 4.211,1227 3.34,1228 3.531,1229 3.616,1230 3.37,1231 3.307,1232 4.041,1233 3.306,1234 3.374,1235 3.437,1236 3.354,1237 3.258,1238 3.838,1239 3.22,1240 3.16,1241 3.221,1242 3.212,1243 3.099,1244 3.648,1245 3.015,1246 0.129,1247 0.133,1248 0.177,1249 0.117,1250 0.086,1251 4.124,1252 0.117,1253 4.249,1254 0.102,1255 5.675,1256 0.249,1257 3.75,1258 0.085,1259 2.763,1260 3.735,1261 3.272,1262 7.971,1263 2.728,1264 1.807,1265 1.75,1266 2.047,1267 1.954,1268 1.42,1269 1.994,1270 1.668,1271 1.625,1272 1.888,1273 1.883,1274 1.265,1275 1.882,1276 1.647,1277 1.59,1278 1.869,1279 1.881,1280 1.06,1281 1.88,1282 1.645,1283 1.588,1284 1.867,1285 1.803,1286 1.034,1287 1.852,1288 1.562,1289 1.536,1290 1.708,1291 1.691,1292 1.03,1293 1.722,1294 1.509,1295 1.467,1296 1.686,1297 1.66,1298 0.934,1299 1.677,1300 1.361,1301 1.295,1302 1.632,1303 1.536,1304 0.859,1305 1.575,1306 1.296,1307 1.233,1308 1.535,1309 1.53,1310 0.693,1311 1.538,1312 4.174,1314 5.398,1315 3.045,1316 6.753,1317 5.283,1318 8.179,1319 7.248,1320 9.651,1322 8.278,1328 15.746,1331 3.996,1333 4.273,1340 41.383,1341 103.283,1342 188.784,1343 277.925,1344 298.863,1345 315.328,1346 320.838,1347 67.005,1348 6.872,1349 32.76,1350 83.36,1351 10,1352 11.93,1353 3.459,1354 2.585,1355 74.291,1356 214,1357 162,1358 0.159,1359 267.926,1360 460.58,1361 645.498,1362 11424,1364 22.313,1365 0.72,1366 0.699,1367 23.02,1368 21.662,1369 15.025,1370 0.47,1371 0.436,1372 11.694,1373 13.552,1374 10.976,1375 9.283,1376 16.025,1377 13.937,1378 12.816,1379 0.329,1380 0.282,1381 13.812,1382 11.002,1383 8.634,1384 0.206,1385 0.168,1386 9.746,1387 7.077,1388 7.1,1389 0.139,1390 0.103,1391 8.149,1392 5.249,1393 4.581,1394 0.095,1395 0.074,1396 5.573,1397 3.551,1398 0.277,1399 103.345,1400 0.217,1401 31.458,1402 0.373,1403 142,1404 346.482,1405 191.129,1406 369.824,1407 491.34,1408 350,1409 152,1410 318.105,1411 195.255,1412 343.434,1413 487.72,1414 314,1415 6.337}
{0 CHEMBL418714,1 1.43,2 18.133,3 6.564,4 43.081,5 135.165,6 6.469,7 0.323,8 4.28,9 4.414,10 3.793,11 3.815,12 5.15,13 3.706,14 4.872,15 5.093,16 4.024,17 4.183,18 5.627,19 4.024,20 5.047,21 5.278,22 3.997,23 4.267,24 5.764,25 4.055,26 5.178,27 5.487,28 3.974,29 4.285,30 5.766,31 4.03,32 4.984,33 5.228,34 3.832,35 4.175,36 5.69,37 3.966,38 5.013,39 5.292,40 3.736,41 4.171,42 5.613,43 3.91,44 4.869,45 5.138,46 3.738,47 4.084,48 5.471,49 3.822,50 4.92,51 5.213,52 3.57,53 4.051,54 5.475,55 3.768,56 0.081,57 0.969,58 19.145,59 7.706,60 11.46,61 10.225,62 0.285,63 1.555,64 39.054,65 12.969,66 21.93,67 16.658,68 0.497,69 1.688,70 44.542,71 15.647,72 31.01,73 19.995,74 0.283,75 1.835,76 49.407,77 17.674,78 28.631,79 22.623,80 0.396,81 1.546,82 41.471,83 14.468,84 29.39,85 18.22,86 0.299,87 1.621,88 43.719,89 15.05,90 22.928,91 19.602,92 0.216,93 1.419,94 36.983,95 13.881,96 18.309,97 17.406,98 0.295,99 1.457,100 44.727,101 14.773,102 19.859,103 17.733,104 25,105 38,106 0.229,107 0.419,108 0.615,109 0.659,110 0.686,111 0.686,112 3.438,113 1.3,114 -4.19,115 -4.13,116 -3.91,121 34.3,123 6,126 4,127 6,144 4,154 4,176 7,180 4,187 6,191 2,192 4,200 7,206 2,214 6,219 2,227 5,232 4,239 6,244 2,251 6,256 4,264 4,269 4,277 5,281 1820,282 20.104,283 20.104,284 20.104,285 20.104,286 20.104,287 18.916,288 23.523,289 12.877,290 20.739,291 15.416,292 15.416,293 15.416,294 15.416,295 15.416,296 13.572,297 29.993,298 6.306,299 16.36,300 4.699,301 3.509,302 2.286,303 2.015,304 1.843,305 1.843,306 4.108,312 1,313 1116,314 4.69,317 222.795,325 2.924,326 12.062,329 1,330 0.67,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.83,337 63,338 544,339 4.124,340 4.249,341 5.675,342 3.75,343 2.763,344 3.735,345 3.272,346 7.971,347 2.728,348 4.124,349 4.249,350 5.675,351 3.75,352 2.763,353 3.735,354 3.272,355 7.971,356 2.728,357 3.371,358 2.996,359 5.03,360 3.178,361 2.244,362 2.507,363 0.916,364 6.084,365 2.098,366 3.371,367 2.996,368 5.03,369 3.178,370 2.244,371 2.507,372 0.916,373 6.084,374 2.097,375 2.959,376 2.69,377 4.338,378 2.909,379 1.938,380 1.975,381 0.172,382 4.346,383 1.889,384 2.923,385 2.689,386 4.338,387 2.728,388 1.819,389 1.957,390 0.172,391 4.344,392 1.649,393 2.876,394 2.25,395 3.932,396 2.68,397 1.74,398 1.9,400 3.848,401 1.624,402 2.706,403 2.246,404 3.746,405 2.587,406 1.62,407 1.713,409 3.444,410 1.557,411 2.429,412 1.827,413 3.48,414 2.257,415 1.365,416 1.426,418 2.853,419 1.189,420 2.228,421 1.728,422 3.288,423 1.902,424 1.026,425 1.139,427 2.157,428 0.874,429 2.2,430 1.677,431 3.271,432 1.756,433 0.77,434 1.071,436 1.782,437 0.755,438 2.035,439 1.258,440 3.142,441 1.702,442 0.719,443 0.972,445 1.692,446 0.702,447 1.645,448 0.762,449 2.826,450 1.465,451 0.556,452 0.603,454 1.206,455 0.494,456 1.228,457 0.758,458 2.532,459 1.093,460 0.164,461 0.172,463 0.356,464 0.148,465 0.889,466 0.577,467 2.39,468 0.74,469 -0.199,470 -0.212,472 -0.469,473 -0.182,474 15.133,475 0.504,476 0.561,477 0.019,478 26,479 0.867,480 8,481 0.267,482 18,483 0.6,484 36.121,485 1.204,486 35.867,487 0.512,488 13.582,489 0.453,490 3.936,491 0.131,492 10.589,493 0.353,494 0.132,496 0.185,501 0.918,502 1.479,503 0.899,504 1.172,505 0.921,506 1.206,507 1.345,508 1.068,509 1.313,510 1.176,511 0.896,512 1.039,513 1.336,514 1.143,515 1.142,516 1.169,517 1.482,518 1.21,519 0.568,520 0.907,521 0.86,522 0.92,523 0.485,524 0.844,525 1.836,526 0.967,527 1.221,528 1.029,529 1.769,530 1.054,531 0.79,532 1.106,533 1.189,534 1.196,535 0.951,536 1.124,537 0.772,538 1.083,539 1.081,540 1.112,541 0.882,542 1.111,543 0.922,544 1.017,545 1.56,546 1.323,547 0.854,548 1.004,549 5.5,550 0.09,551 1.111,552 1.514,553 0.65,554 0.647,555 0.234,556 0.175,557 0.137,558 0.109,559 16125,560 34039,561 1.977,562 57.1,563 8,564 28,569 4,572 1.714,573 1.875,574 4.114,575 -0.792,582 100.134,583 1.43,584 2.62,585 3.843,586 4.115,587 4.286,588 4.286,589 3.507,590 3.774,591 4.881,592 4.349,593 1891.88,594 8.431,595 32838.8,600 429.05,601 1.242,602 4.849,603 0.177,604 0.004,605 0.029,606 0.049,607 0.02,608 0.022,609 0.01,610 0.008,611 0.006,612 0.005,613 0.331,614 0.33,615 0.88,616 1.072,617 166.247,618 0.063,619 -0.208,620 0.095,621 -0.042,622 0.085,623 -0.034,624 -0.097,625 0.11,626 -0.089,627 -0.032,628 0.125,629 0.011,630 0.016,631 -0.112,632 -0.099,633 -0.119,634 -0.172,635 -0.18,636 0.113,637 0.029,638 0.15,639 0.085,640 0.26,641 0.135,642 -0.259,643 0.036,644 -0.139,645 0.015,646 -0.29,647 -0.052,648 -0.034,649 -0.102,650 -0.1,651 -0.119,652 -0.132,653 -0.107,654 -0.024,655 -0.08,656 -0.01,657 -0.027,658 -0.064,659 -0.076,660 -0.069,661 0.006,662 -0.165,663 -0.08,664 -0.038,665 0.018,666 0.621,667 2.359,668 0.333,669 41.911,670 0.983,671 1.131,672 2.96,673 8.763,674 0.638,675 3.466,676 3.664,677 3.738,678 3.932,679 3.871,680 3.892,681 3.871,682 3.664,683 3.638,684 3.611,685 10.751,686 0.569,687 452.8,688 3.466,689 4.934,690 5.694,691 6.503,692 7.281,693 8.098,694 8.889,695 9.71,696 10.508,697 11.332,698 2.9,701 2,715 4,718 2,720 4,722 10,741 70,743 10,745 31,747 71,748 24,749 8,756 2,757 2,770 6,772 8,773 16,792 2,793 40,794 4,796 6,797 2,802 2,808 1,809 2,828 2,855 2,859 2,860 2,862 2,864 4,868 30,876 12,879 2,881 2,893 2.9,898 2,901 16,902 13.4,903 6.917,904 4.306,907 1.44,908 1.211,909 0.919,910 13.167,911 8.262,912 3.611,913 4.016,914 4.379,915 4.861,916 4.838,917 4.916,918 4.958,919 4.613,920 4.603,921 4.593,922 0.917,923 31,924 11.151,926 4.31,927 0.026,929 7.344,931 22.514,933 17.61,936 1.844,937 55.333,941 470.844,942 180.742,943 6.249,945 19.015,947 64.439,948 116.303,949 489.859,950 6.249,951 33.586,952 23.017,953 37.905,955 25.263,956 21.795,957 535.283,959 470.844,960 122.552,961 19.015,962 64.439,964 423.76,965 66.099,968 29.266,969 93.286,971 64.439,972 470.844,973 25.263,974 180.742,977 470.844,978 109.252,979 77.739,981 19.015,982 470.844,983 25.263,984 180.742,986 0.548,987 0.274,988 0.15,989 0.073,990 12,991 6,992 0.239,993 17,995 1,996 4.595,997 210.566,999 10,1000 113.207,1001 2,1005 25.764,1006 15.332,1007 12.223,1009 25.263,1010 8.452,1013 11.717,1015 4.342,1018 676.85,1019 36,1031 68.799,1032 79.144,1034 0.233,1035 0.428,1036 0.627,1037 0.671,1038 0.699,1039 0.699,1040 4.792,1041 1.62,1042 5.602,1043 3.848,1044 4.344,1045 4.7,1046 3.847,1047 6.225,1048 4.247,1049 5.891,1050 1.365,1051 7.033,1052 3.444,1053 3.611,1054 4.205,1055 0.57,1056 6.676,1057 3.519,1058 7.109,1059 1.026,1060 8.553,1061 2.853,1062 5.746,1063 6.64,1064 6.135,1065 9.721,1066 5.595,1067 8.361,1068 0.77,1069 10.128,1070 2.157,1071 5.832,1072 7.09,1073 0.674,1074 11.046,1075 5.709,1076 9.653,1077 0.719,1078 11.74,1079 1.782,1080 7.386,1081 8.921,1082 8.5,1083 13.528,1084 7.209,1085 10.971,1086 0.556,1087 13.378,1088 1.692,1089 7.897,1090 9.825,1091 0.66,1092 15.246,1093 7.753,1094 12.311,1095 0.164,1096 15.035,1097 1.206,1098 9.177,1099 11.385,1100 10.87,1101 17.5,1102 8.989,1103 2.763,1104 -0.199,1105 16.706,1106 0.356,1107 9.922,1108 12.507,1109 0.611,1110 19.404,1111 9.762,1112 2.763,1113 7.971,1114 18.389,1115 -0.469,1116 11.066,1117 13.94,1118 13.241,1119 21.558,1120 10.872,1121 2.244,1122 7.971,1123 20.081,1124 3.735,1125 11.938,1126 15.165,1127 0.55,1128 23.551,1129 11.762,1130 2.244,1131 6.084,1132 21.779,1133 3.735,1134 13.014,1135 16.538,1136 15.613,1137 25.661,1138 12.814,1139 1.938,1140 6.084,1141 23.484,1142 2.507,1143 13.954,1144 17.811,1145 0.487,1146 27.696,1147 13.761,1148 1.819,1149 4.346,1150 25.192,1151 2.507,1152 14.998,1153 19.156,1154 17.984,1155 29.786,1156 14.786,1157 1.74,1158 4.344,1159 26.905,1160 1.975,1161 15.973,1162 20.452,1163 0.427,1164 31.842,1165 15.762,1166 16006,1167 23382,1168 20.455,1169 44.682,1170 43.918,1171 49.53,1172 43.964,1173 43.496,1174 43.46,1175 50.823,1176 17.445,1177 108.278,1178 41.067,1179 5.094,1180 6.115,1181 5.621,1182 4.852,1183 4.763,1184 6.346,1185 6.545,1186 13.548,1187 4.628,1188 16.046,1189 1.417,1190 1.598,1191 1.418,1192 1.403,1193 1.402,1194 1.639,1195 0.563,1196 3.493,1197 1.325,1198 3.968,1199 3.986,1200 4.007,1201 3.837,1202 5.044,1203 3.837,1204 3.93,1205 3.942,1206 3.969,1207 3.795,1208 5.024,1209 3.802,1210 3.774,1211 3.834,1212 3.74,1213 3.663,1214 4.278,1215 3.639,1216 3.591,1217 3.66,1218 3.72,1219 3.514,1220 4.267,1221 3.45,1222 3.549,1223 3.635,1224 3.502,1225 3.362,1226 4.2,1227 3.332,1228 3.52,1229 3.601,1230 3.364,1231 3.296,1232 4.008,1233 3.299,1234 3.309,1235 3.368,1236 3.347,1237 3.228,1238 3.786,1239 3.163,1240 3.113,1241 3.177,1242 3.131,1243 3.041,1244 3.623,1245 2.963,1246 0.133,1247 0.137,1248 0.183,1249 0.121,1250 0.089,1251 4.124,1252 0.12,1253 4.249,1254 0.106,1255 5.675,1256 0.257,1257 3.75,1258 0.088,1259 2.763,1260 3.735,1261 3.272,1262 7.971,1263 2.728,1264 1.797,1265 1.741,1266 2.035,1267 1.943,1268 1.409,1269 1.983,1270 1.651,1271 1.607,1272 1.869,1273 1.882,1274 1.226,1275 1.882,1276 1.647,1277 1.59,1278 1.867,1279 1.881,1280 1.035,1281 1.88,1282 1.636,1283 1.585,1284 1.846,1285 1.769,1286 1.032,1287 1.821,1288 1.552,1289 1.526,1290 1.697,1291 1.683,1292 1.009,1293 1.709,1294 1.488,1295 1.439,1296 1.682,1297 1.646,1298 0.913,1299 1.663,1300 1.324,1301 1.257,1302 1.574,1303 1.531,1304 0.815,1305 1.548,1306 1.291,1307 1.229,1308 1.532,1309 1.529,1310 0.668,1311 1.536,1312 4.143,1314 5.371,1315 3.045,1316 6.73,1317 5.283,1318 8.159,1319 7.248,1320 9.635,1322 8.272,1328 14.294,1331 3.988,1333 4.269,1340 39.856,1341 100.134,1342 183.423,1343 269.011,1344 288.03,1345 300.03,1346 300.03,1347 62.639,1348 6.822,1349 32.76,1350 83.36,1351 10,1352 11.916,1353 3.459,1354 2.585,1355 70.436,1356 199,1357 150,1358 0.163,1359 258.333,1360 443.28,1361 622.093,1362 10499,1364 21.606,1365 0.72,1366 0.699,1367 22.313,1368 20.955,1369 14.525,1370 0.469,1371 0.433,1372 11.194,1373 13.052,1374 10.485,1375 8.867,1376 15.525,1377 13.437,1378 12.462,1379 0.328,1380 0.28,1381 13.458,1382 10.648,1383 8.384,1384 0.204,1385 0.167,1386 9.496,1387 6.827,1388 6.923,1389 0.138,1390 0.101,1391 7.972,1392 5.072,1393 4.456,1394 0.095,1395 0.073,1396 5.448,1397 3.426,1398 0.283,1399 100.345,1400 0.221,1401 30.533,1402 0.384,1403 138,1404 342.482,1405 187.129,1406 365.663,1407 485.58,1408 346,1409 148,1410 314.105,1411 191.255,1412 339.272,1413 481.96,1414 310,1415 6.328}
{0 CHEMBL418917,1 1.498,2 10.167,3 3.574,4 12.77,5 93.939,6 7.187,7 0.444,8 3.916,9 4.038,10 3.464,11 3.448,12 4.965,13 3.429,14 4.477,15 4.649,16 3.878,17 3.886,18 5.527,19 3.845,20 4.752,21 4.947,22 3.9,23 4.048,24 5.692,25 3.967,26 4.882,27 5.142,28 3.74,29 3.991,30 5.791,31 3.869,32 4.742,33 5.004,34 3.611,35 3.774,36 5.727,37 3.668,38 4.466,39 4.69,40 3.423,41 3.56,42 5.483,43 3.483,44 4.27,45 4.485,46 3.367,47 3.47,48 5.337,49 3.389,50 4.243,51 4.459,52 3.228,53 3.399,54 5.346,55 3.322,56 0.024,57 0.668,58 9.73,59 4.069,60 7.295,61 5.47,62 0.337,63 1.112,64 18.592,65 6.932,66 31.016,67 9.662,68 0.173,69 1.391,70 25.026,71 9.33,72 26.433,73 12.997,74 0.281,75 1.462,76 30.694,77 10.222,78 41.514,79 14.916,80 0.335,81 1.16,82 27.588,83 9.223,84 48.862,85 12.928,86 0.364,87 0.872,88 20.813,89 6.863,90 40.289,91 9.052,92 0.205,93 0.786,94 16.175,95 5.903,96 28.289,97 8.07,98 0.37,99 0.758,100 16.371,101 4.983,102 41.873,103 6.705,104 10,105 40,106 0.259,107 0.604,108 0.769,109 0.846,110 0.867,111 0.867,112 3.229,113 0.913,114 -4.08,115 -4.03,116 -3.81,121 42.2,122 1,123 1,125 1,126 1,127 1,130 1,144 8,145 1,146 3,161 1,176 9,179 1,180 4,183 3,185 5,187 10,192 4,197 6,200 7,206 9,211 3,214 3,219 9,222 1,224 2,227 2,231 1,232 3,237 1,239 4,244 2,247 1,248 1,249 2,251 8,255 1,259 1,264 8,274 2,277 8,281 756,282 16.134,283 16.134,284 16.134,285 16.134,286 16.134,287 14.543,288 24.347,289 9.344,290 16.457,291 13.332,292 13.332,293 13.332,294 13.332,295 13.332,296 10.934,297 36.499,298 4.462,299 13.855,300 3.993,301 2.001,302 1.045,303 0.6,304 0.478,305 0.478,306 3.924,310 1,311 1,312 1,313 542,314 3.317,317 90.972,318 128.169,320 73.279,321 77.621,324 109,325 1.5,326 18.232,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 51.5,338 244,339 4.778,340 3.908,341 7.93,342 4.664,343 3.682,344 4.16,345 2.186,346 14.919,347 3.621,348 4.021,349 3.675,350 6.126,351 3.666,352 2.719,353 3.482,354 0.886,355 8.539,356 2.571,357 3.906,358 2.824,359 5.616,360 3.532,361 2.562,362 3.296,363 0.4,364 7.542,365 2.482,366 3.587,367 2.591,368 5.529,369 3.227,370 2.288,371 2.833,372 0.366,373 7.068,374 2.136,375 3.281,376 2.507,377 5.279,378 3.126,379 2.178,380 2.493,382 6.724,383 2.05,384 3.267,385 2.328,386 4.644,387 2.852,388 1.871,389 2.328,391 4.994,392 1.818,393 2.848,394 1.543,395 4.502,396 2.382,397 1.394,398 1.981,400 3.772,401 1.372,402 2.571,403 1.519,404 4.144,405 2.244,406 1.284,407 1.593,409 2.99,410 1.23,411 2.5,412 1.168,413 3.571,414 2.104,415 1.118,416 1.5,418 2.987,419 1.1,420 2.268,421 1,422 3.288,423 2,424 1,425 1.256,427 2.136,428 1,429 1.599,430 0.867,431 3.247,432 1.421,433 0.468,434 0.51,436 1.151,437 0.444,438 1.193,439 0.571,440 2.958,441 0.942,442 0.024,443 0.026,445 0.063,446 0.022,447 1.132,448 0.323,449 2.805,450 0.745,451 -0.247,452 -0.306,454 -0.591,455 -0.24,456 0.67,457 -0.155,458 2.427,459 0.364,460 -0.609,461 -0.723,463 -1.635,464 -0.584,465 0.606,466 -0.57,467 2.417,468 0.168,469 -0.822,470 -1,472 -2.262,473 -0.814,474 11.367,475 0.474,476 0.699,477 0.029,478 31,479 1.292,480 15,481 0.625,482 16,483 0.667,484 19.217,485 0.801,486 25.833,487 0.574,488 21.416,489 0.892,490 5.975,491 0.249,492 5.585,493 0.233,494 0.117,495 0.044,496 0.299,501 0.836,502 1.328,503 0.808,504 1.085,505 0.63,506 0.957,507 0.632,508 0.981,509 0.821,510 0.895,511 0.407,512 0.876,513 1.018,514 1.311,515 1.091,516 1.213,517 0.734,518 1.169,519 0.989,520 1.012,521 1.047,522 1.044,523 0.722,524 1.036,525 1.258,526 0.898,527 0.903,528 0.932,529 1.38,530 0.883,531 1.889,532 0.808,533 1.089,534 0.833,535 1.713,536 0.867,537 1.09,538 1.062,539 0.942,540 1.066,541 1.348,542 1.011,543 1.953,544 0.706,545 1.31,546 0.749,547 2.757,548 0.914,549 6,550 0.101,551 3.333,552 2.583,553 1.232,554 0.646,555 0.516,556 0.207,557 0.268,558 0.151,559 6754,560 15376,561 2.125,562 46.7,563 3,564 13,565 1,567 2,569 2,572 1.666,573 1.986,574 3.292,575 0.255,577 1,579 1,582 67.429,583 1.498,584 3.491,585 4.447,586 4.891,587 5.014,588 5.014,589 2.709,590 4.168,591 4.558,592 3.445,593 950.86,594 7.848,595 11066.2,597 1,599 1,600 247.133,601 1.564,602 4.509,603 0.222,604 0.007,605 0.083,606 0.066,607 0.04,608 0.024,609 0.022,610 0.009,611 0.014,612 0.008,613 0.496,614 0.67,615 1,616 0.566,617 113.944,618 -0.042,619 -0.135,620 0.063,621 -0.033,622 -0.057,623 0.021,624 0.297,625 0.159,626 0.105,627 0.104,628 0.237,629 0.083,630 -0.105,631 -0.254,632 -0.156,633 -0.214,634 -0.031,635 -0.198,636 -0.073,637 -0.03,638 -0.06,639 -0.098,640 0.063,641 -0.071,642 0.014,643 -0.014,644 0.134,645 0.026,646 0.02,647 0.088,648 -0.181,649 0.086,650 -0.028,651 0.13,652 -0.188,653 0.076,654 0.089,655 -0.098,656 0.046,657 -0.076,658 0.033,659 -0.038,660 -0.284,661 0.307,662 -0.263,663 0.172,664 -0.438,665 -0.014,666 2.141,667 5.084,668 0.75,669 18.958,670 0.998,671 1.126,672 2.851,673 8.129,674 0.662,675 3.332,676 3.714,677 4.025,678 4.344,679 4.543,680 4.605,681 4.779,682 4.86,683 4.86,684 4.927,685 5.942,686 0.627,687 323.43,688 3.332,689 4.905,690 5.784,691 6.701,692 7.603,693 8.53,694 9.446,695 10.38,696 11.306,697 12.244,698 6.7,701 1,703 1,705 1,715 8,720 4,722 12,734 1,737 1,741 45,743 13,744 2,745 27,747 48,748 19,749 12,750 4,751 8,756 4,757 7,763 1,764 1,766 1,767 1,770 1,772 13,773 6,777 1,782 1,786 1,789 1,790 1,793 21,794 5,795 2,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 2,868 24,876 2,877 2,878 1,880 1,881 1,882 1,893 4.4,896 1,898 1,901 12.083,902 8.533,903 5.097,904 2.651,907 2.126,908 1.285,909 0.982,910 3.74,911 9.589,912 3.555,913 4.127,914 4.635,915 5.182,916 5.663,917 5.78,918 6.133,919 6.406,920 6.496,921 6.723,922 0.857,923 39,924 8.888,926 3.856,927 0.026,929 7.642,931 17.222,933 14.711,936 2.142,937 51.417,940 1,941 223.651,942 118.377,943 39.146,945 36.145,948 118.377,949 259.796,950 39.146,951 17.222,952 22.651,953 75.81,954 43.156,955 28.067,956 18.534,957 211.88,959 223.651,960 157.523,961 36.145,964 200.109,965 59.687,968 34.601,969 104.911,970 18.011,972 223.651,973 75.291,974 118.377,977 223.651,978 25.345,979 96.156,980 36.022,981 36.145,982 223.651,983 75.291,984 118.377,986 0.595,987 0.351,988 0.195,989 0.103,990 22,991 9,992 0.063,993 3,994 2,995 1.222,996 3.644,997 203.193,998 0.222,999 18,1000 106.039,1005 15.486,1006 5.796,1007 2.693,1009 75.291,1010 15.12,1015 3.641,1017 36.022,1018 417.318,1019 34,1024 12.084,1028 -0.475,1031 44.912,1032 50.651,1034 0.273,1035 0.636,1036 0.81,1037 0.891,1038 0.913,1039 0.913,1040 4.836,1041 1.284,1042 5.82,1043 3.772,1044 4.394,1045 4.812,1046 2.41,1047 6.737,1048 4.322,1049 6.049,1050 1.118,1051 7.449,1052 2.99,1053 4.205,1054 4.635,1055 1.847,1056 8.097,1057 4.111,1058 7.378,1059 1,1060 9.202,1061 2.987,1062 6.125,1063 6.918,1064 3.516,1065 11.246,1066 5.995,1067 8.743,1068 0.468,1069 11.037,1070 2.136,1071 6.792,1072 7.504,1073 3.601,1074 13.535,1075 6.66,1076 10.146,1077 0.024,1078 12.931,1079 1.151,1080 8.256,1081 9.325,1082 4.909,1083 16.34,1084 8.099,1085 11.577,1086 -0.247,1087 14.87,1088 0.063,1089 9.302,1090 10.28,1091 5.291,1092 18.927,1093 9.146,1094 13.031,1095 -0.609,1096 16.842,1097 -0.591,1098 10.63,1099 11.901,1100 6.388,1101 21.656,1102 10.459,1103 3.682,1104 -0.822,1105 18.84,1106 -1.635,1107 11.833,1108 13.056,1109 6.93,1110 24.326,1111 11.656,1112 2.719,1113 14.919,1114 20.857,1115 -2.262,1116 13.13,1117 14.577,1118 7.902,1119 27.036,1120 12.94,1121 2.562,1122 8.539,1123 22.888,1124 4.16,1125 14.393,1126 15.846,1127 8.539,1128 29.73,1129 14.193,1130 2.288,1131 7.542,1132 24.93,1133 3.482,1134 15.687,1135 17.316,1136 9.436,1137 32.434,1138 15.474,1139 2.178,1140 7.068,1141 26.979,1142 3.296,1143 16.973,1144 18.65,1145 10.13,1146 35.134,1147 16.748,1148 1.871,1149 6.724,1150 29.034,1151 2.833,1152 18.27,1153 20.095,1154 10.981,1155 37.838,1156 18.031,1157 1.394,1158 4.994,1159 31.093,1160 2.493,1161 19.566,1162 21.467,1163 11.71,1164 40.539,1165 19.312,1166 6343,1167 9699,1168 18.087,1169 29.779,1170 41.55,1171 42.329,1172 42.565,1173 41.169,1174 41.176,1175 50.916,1176 7.677,1177 125.768,1178 39.692,1179 5.74,1180 5.908,1181 7.732,1182 5.753,1183 5.682,1184 7.16,1185 3.889,1186 23.348,1187 5.621,1188 10.387,1189 1.539,1190 1.568,1191 1.576,1192 1.525,1193 1.525,1194 1.886,1195 0.284,1196 4.658,1197 1.47,1198 4.082,1199 4.12,1200 4.027,1201 3.987,1202 7.435,1203 3.992,1204 3.899,1205 3.934,1206 3.831,1207 3.821,1208 4.855,1209 3.818,1210 3.698,1211 3.741,1212 3.613,1213 3.562,1214 4.759,1215 3.566,1216 3.382,1217 3.408,1218 3.329,1219 3.085,1220 4.453,1221 3.14,1222 3.237,1223 3.33,1224 3.037,1225 3.025,1226 4.141,1227 3.019,1228 3.065,1229 3.154,1230 2.929,1231 2.855,1232 3.889,1233 2.86,1234 2.952,1235 3.065,1236 2.702,1237 2.743,1238 3.863,1239 2.719,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.177,1247 0.145,1248 0.294,1249 0.173,1250 0.136,1251 4.778,1252 0.154,1253 3.908,1254 0.081,1255 7.93,1256 0.553,1257 4.664,1258 0.134,1259 3.682,1260 4.16,1261 2.186,1262 14.919,1263 3.621,1264 1.905,1265 1.885,1266 2.014,1267 2.008,1268 1.31,1269 2.008,1270 1.88,1271 1.85,1272 1.998,1273 1.966,1274 1.061,1275 1.978,1276 1.608,1277 1.556,1278 1.809,1279 1.81,1280 1.022,1281 1.808,1282 1.527,1283 1.443,1284 1.781,1285 1.75,1286 0.994,1287 1.772,1288 1.201,1289 1.178,1290 1.453,1291 1.532,1292 0.563,1293 1.47,1294 1.015,1295 0.902,1296 1.335,1297 1.291,1298 0.417,1299 1.353,1300 0.961,1301 0.88,1302 1.272,1303 1.247,1304 0.279,1305 1.264,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 4.007,1314 5.371,1315 3.045,1316 6.929,1317 5.587,1318 8.581,1319 7.825,1320 10.29,1322 4.41,1328 2.154,1329 6.313,1330 5.472,1332 0.306,1333 2.336,1334 0.055,1340 28.235,1341 67.429,1342 157.08,1343 200.114,1344 220.114,1345 225.624,1346 225.624,1347 33.283,1348 7.463,1349 53.6,1350 53.6,1351 22,1352 12.743,1353 3.807,1354 3,1355 34.04,1356 86,1357 86,1358 0.196,1359 171.335,1360 298.12,1361 409.817,1362 17329,1364 16.734,1365 0.697,1366 0.578,1367 16.734,1368 13.874,1369 11.559,1370 0.428,1371 0.304,1372 8.103,1373 11.142,1374 7.856,1375 6.519,1376 11.559,1377 8.214,1378 10.99,1379 0.275,1380 0.17,1381 10.99,1382 6.783,1383 9.374,1384 0.17,1385 0.094,1386 9.374,1387 5.157,1388 8.145,1389 0.107,1390 0.05,1391 8.145,1392 3.817,1393 6.494,1394 0.07,1395 0.028,1396 6.494,1397 2.586,1398 0.307,1399 72.227,1400 0.235,1401 23.41,1402 0.537,1403 134,1404 347.782,1405 146.998,1406 336.935,1407 468.94,1408 316,1409 162,1410 356.247,1411 174.643,1412 361.247,1413 532.47,1414 339,1415 7.389}
{0 CHEMBL418955,1 1.387,2 13,3 4.662,4 21.732,5 104.397,6 6.74,7 0.552,8 4.037,9 4.155,10 3.538,11 3.585,12 5.023,13 3.543,14 4.609,15 4.793,16 3.852,17 3.989,18 5.48,19 3.92,20 4.872,21 5.101,22 3.851,23 4.132,24 5.652,25 4.009,26 4.977,27 5.245,28 3.711,29 4.098,30 5.697,31 3.931,32 4.891,33 5.18,34 3.609,35 3.991,36 5.573,37 3.822,38 4.754,39 5.013,40 3.564,41 3.929,42 5.483,43 3.779,44 4.708,45 4.965,46 3.445,47 3.853,48 5.447,49 3.693,50 4.557,51 4.815,52 3.268,53 3.699,54 5.271,55 3.525,56 0.09,57 0.717,58 12.03,59 5.216,60 10.624,61 7.05,62 0.172,63 1.206,64 22.372,65 8.588,66 17.891,67 11.94,68 0.212,69 1.497,70 29.552,71 11.409,72 23.306,73 16.188,74 0.382,75 1.581,76 33.66,77 12.336,78 30.872,79 17.913,80 0.308,81 1.426,82 31.026,83 11.401,84 27.864,85 16.657,86 0.233,87 1.284,88 26.699,89 9.915,90 22.407,91 14.279,92 0.28,93 1.206,94 25.709,95 9.456,96 24.442,97 13.415,98 0.243,99 1.014,100 22.017,101 8.45,102 20.117,103 11.954,104 3,105 39,106 0.232,107 0.536,108 0.738,109 0.82,110 0.829,111 0.829,112 3.303,113 0.983,114 -4.6,115 -4.52,116 -4.25,121 42.3,123 4,124 1,126 1,127 3,144 8,145 2,146 1,148 1,154 1,168 1,176 12,180 9,187 14,192 9,200 8,205 1,206 8,214 6,218 1,219 5,227 10,232 3,239 11,243 1,244 2,251 11,255 1,256 2,264 5,269 5,277 4,281 1006,282 18.179,283 18.179,284 18.179,285 18.179,286 18.179,287 16.298,288 18.178,289 10.907,290 18.5,291 14.292,292 14.292,293 14.292,294 14.292,295 14.292,296 11.469,297 19.35,298 5.159,299 14.705,300 4.314,301 2.496,302 1.289,303 0.798,304 0.745,305 0.745,306 4.008,311 1,312 1,313 745,314 2.739,317 61.23,318 252.15,321 113.237,325 2,326 12.82,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 55,338 338,339 4.548,340 3.177,341 6.54,342 4.078,343 3.089,344 4.501,345 0.916,346 10.329,347 3.054,348 3.941,349 3.017,350 5.617,351 3.689,352 2.725,353 3.457,354 0.86,355 7.79,356 2.633,357 3.755,358 2.756,359 5.415,360 3.478,361 2.485,362 3.186,363 0.172,364 7.097,365 2.472,366 3.598,367 2.556,368 5.319,369 3.33,370 2.382,371 2.643,373 6.883,374 2.251,375 3.24,376 2.253,377 4.977,378 3.035,379 2.082,380 2.486,382 5.885,383 1.975,384 3.129,385 1.995,386 4.91,387 2.772,388 1.796,389 2.234,391 5.415,392 1.749,393 2.877,394 1.518,395 4.207,396 2.431,397 1.44,398 2.03,400 3.765,401 1.426,402 2.813,403 1.478,404 3.594,405 2.398,406 1.411,407 1.908,409 3.042,410 1.39,411 2.5,412 1.077,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.179,421 1.053,422 3.316,423 1.984,424 1,425 1.061,427 2.136,428 0.983,429 2,430 1,431 3.247,432 1.807,433 0.82,434 1,436 1.924,437 0.809,438 1.79,439 0.856,440 3.149,441 1.562,442 0.612,443 0.712,445 1.314,446 0.574,447 1.542,448 0.529,449 2.833,450 1.276,451 0.368,452 0.422,454 0.633,455 0.333,456 1.216,457 0.263,458 2.743,459 1.025,460 0.056,461 0.062,463 0.136,464 0.054,465 0.785,466 -0.21,467 2.302,468 0.536,469 -0.451,470 -0.516,472 -1.055,473 -0.443,474 12.467,475 0.479,476 0.444,477 0.017,478 31,479 1.192,480 14.5,481 0.558,482 16.5,483 0.635,484 22.744,485 0.875,486 28.333,487 0.545,488 19.353,489 0.744,490 5.941,491 0.228,492 6.873,493 0.264,494 0.04,496 0.273,501 0.719,502 1.255,503 0.855,504 1.141,505 0.651,506 1.035,507 1.155,508 1.106,509 0.999,510 1.019,511 0.866,512 0.989,513 0.907,514 1.14,515 1.044,516 1.115,517 0.801,518 1.094,519 0.809,520 1.056,521 1.027,522 1.045,523 0.858,524 1.055,525 0.729,526 0.884,527 0.873,528 0.887,529 0.771,530 0.892,531 0.947,532 0.995,533 1.032,534 0.996,535 1.083,536 1.014,537 1.142,538 0.95,539 1.144,540 1.029,541 1.325,542 1.077,543 0.957,544 1.057,545 1.085,546 1.083,547 1.101,548 1.107,549 4.5,550 0.07,551 2.222,552 1.167,553 1.027,554 0.504,555 0.427,556 0.229,557 0.133,558 0.133,559 9690,560 21153,561 2.172,562 50,563 3,564 17,568 2,569 4,572 1.682,573 2.108,574 3.639,575 -0.836,582 72.104,583 1.387,584 3.204,585 4.412,586 4.902,587 4.955,588 4.955,589 3.142,590 4.133,591 4.67,592 3.803,593 1236.05,594 8.046,595 16285.1,597 1,600 296.423,601 1.058,602 4.663,603 0.155,604 0.004,605 0.057,606 0.032,607 0.034,608 0.018,609 0.016,610 0.01,611 0.007,612 0.008,613 0.341,614 0.33,615 1,616 0.542,617 130.712,618 0.175,619 -0.084,620 0.09,621 -0.041,622 0.228,623 0.003,624 -0.096,625 -0.001,626 -0.02,627 0.001,628 0.05,629 0.002,630 -0.051,631 -0.112,632 -0.082,633 -0.112,634 0.042,635 -0.101,636 0.072,637 -0.087,638 -0.052,639 -0.081,640 0.038,641 -0.08,642 0.067,643 0.061,644 0.099,645 0.071,646 0.067,647 0.087,648 -0.077,649 -0.005,650 -0.06,651 -0.022,652 -0.151,653 -0.035,654 -0.105,655 0.031,656 -0.158,657 -0.063,658 -0.249,659 -0.108,660 0.003,661 -0.118,662 -0.111,663 -0.096,664 -0.165,665 -0.12,666 0.856,667 1.977,668 0.808,669 27.491,670 0.99,671 1.123,672 3.366,673 11.331,674 0.655,675 3.401,676 3.689,677 3.951,678 4.19,679 4.394,680 4.407,681 4.522,682 4.605,683 4.595,684 4.682,685 7.384,686 0.611,687 350.5,688 3.401,689 4.92,690 5.759,691 6.616,692 7.469,693 8.332,694 9.191,695 10.058,696 10.921,697 11.789,698 3.8,701 1,708 1,714 2,715 8,716 1,718 1,720 3,722 16,739 1,741 52,743 16,744 2,745 29,747 55,748 22,749 13,750 4,751 8,756 4,757 5,767 2,768 1,770 4,772 13,773 9,774 1,790 1,793 26,794 4,796 4,801 1,802 2,808 0.75,809 2,828 1,829 3,832 1,855 1,859 3,864 1,868 26,876 7,878 1,880 1,881 1,893 3.8,898 2,901 12.333,902 9.483,903 5.806,904 3.314,907 2.896,908 1.385,909 0.983,910 5.447,911 10.418,912 3.638,913 4.201,914 4.774,915 5.341,916 5.815,917 6.015,918 6.345,919 6.612,920 6.428,921 6.531,922 0.889,923 37,924 9.621,926 4.013,927 0.026,929 7.429,931 19.172,933 16.066,936 1.929,937 50.167,939 1,940 1,941 306.049,942 121.743,943 22.721,945 20.734,948 121.743,949 326.783,950 22.721,951 10.883,952 16.455,953 75.81,954 19.597,955 37.617,956 4.836,957 306.049,959 306.049,960 144.464,961 20.734,964 258.964,965 67.818,968 22.336,969 102.531,970 19.597,972 306.049,973 43.455,974 121.743,977 306.049,978 35.05,979 89.817,981 40.331,982 306.049,983 43.455,984 121.743,986 0.569,987 0.332,988 0.178,989 0.098,990 19,991 7,992 0.109,993 6,994 1,995 1.095,996 4.052,997 210.178,998 0.095,999 21,1000 114.211,1005 17.416,1006 8.131,1007 4.233,1008 1.935,1009 43.455,1010 16.716,1011 4.285,1013 5.477,1015 3.302,1018 471.247,1019 37,1031 51.461,1032 58.398,1034 0.243,1035 0.562,1036 0.774,1037 0.86,1038 0.869,1039 0.869,1040 4.852,1041 1.411,1042 5.707,1043 3.765,1044 4.369,1045 4.887,1046 1.382,1047 6.46,1048 4.319,1049 6.016,1050 1,1051 7.222,1052 3.042,1053 3.761,1054 4.543,1055 0.325,1056 7.222,1057 3.678,1058 7.294,1059 1,1060 8.832,1061 2.275,1062 5.905,1063 7.055,1064 1.115,1065 10.294,1066 5.813,1067 8.609,1068 0.82,1069 10.502,1070 2.136,1071 6.155,1072 7.643,1073 0.393,1074 11.931,1075 6.035,1076 9.961,1077 0.612,1078 12.21,1079 1.924,1080 7.706,1081 9.579,1082 0.921,1083 14.496,1084 7.58,1085 11.339,1086 0.368,1087 13.947,1088 1.314,1089 8.373,1090 10.634,1091 0.384,1092 16.52,1093 8.228,1094 12.74,1095 0.056,1096 15.706,1097 0.633,1098 9.666,1099 12.323,1100 0.764,1101 18.921,1102 9.514,1103 3.089,1104 -0.451,1105 17.482,1106 0.136,1107 10.549,1108 13.613,1109 0.351,1110 21.12,1111 10.384,1112 2.725,1113 10.329,1114 19.273,1115 -1.055,1116 11.728,1117 15.193,1118 0.634,1119 23.469,1120 11.556,1121 2.485,1122 7.79,1123 21.076,1124 4.501,1125 12.723,1126 16.597,1127 0.312,1128 25.744,1129 12.541,1130 2.382,1131 7.097,1132 22.89,1133 3.457,1134 13.855,1135 18.13,1136 0.525,1137 28.08,1138 13.665,1139 2.082,1140 6.883,1141 24.713,1142 3.186,1143 14.907,1144 19.587,1145 0.273,1146 30.387,1147 14.709,1148 1.796,1149 5.885,1150 26.544,1151 2.643,1152 16.023,1153 21.102,1154 0.433,1155 32.72,1156 15.817,1157 1.44,1158 5.415,1159 28.383,1160 2.486,1161 17.106,1162 22.584,1163 0.236,1164 35.042,1165 16.891,1166 9021,1167 13478,1168 20.167,1169 34.057,1170 42.647,1171 42.92,1172 43.251,1173 42.507,1174 42.531,1175 54.405,1176 3.898,1177 117.245,1178 41.406,1179 5.548,1180 5.177,1181 6.342,1182 5.113,1183 5.089,1184 7.501,1185 1.776,1186 17.072,1187 5.054,1188 7.041,1189 1.471,1190 1.48,1191 1.491,1192 1.466,1193 1.467,1194 1.876,1195 0.134,1196 4.043,1197 1.428,1198 4.098,1199 4.113,1200 4.065,1201 3.985,1202 5.265,1203 3.999,1204 3.947,1205 3.99,1206 3.863,1207 3.864,1208 4.757,1209 3.858,1210 3.816,1211 3.863,1212 3.7,1213 3.713,1214 4.72,1215 3.703,1216 3.507,1217 3.558,1218 3.41,1219 3.34,1220 4.32,1221 3.345,1222 3.327,1223 3.384,1224 3.194,1225 3.104,1226 4.17,1227 3.117,1228 3.133,1229 3.215,1230 2.931,1231 2.941,1232 3.947,1233 2.924,1234 3.111,1235 3.206,1236 2.907,1237 2.933,1238 3.74,1239 2.91,1240 3.051,1241 3.108,1242 2.866,1243 2.831,1244 3.674,1245 2.838,1246 0.157,1247 0.11,1248 0.226,1249 0.141,1250 0.107,1251 4.548,1252 0.155,1253 3.177,1254 0.032,1255 6.54,1256 0.356,1257 4.078,1258 0.105,1259 3.089,1260 4.501,1261 0.916,1262 10.329,1263 3.054,1264 1.946,1265 1.919,1266 2.106,1267 2.071,1268 1.487,1269 2.086,1270 1.917,1271 1.891,1272 2.026,1273 2.006,1274 1.2,1275 2.008,1276 1.827,1277 1.781,1278 1.98,1279 1.946,1280 1.132,1281 1.963,1282 1.502,1283 1.445,1284 1.729,1285 1.718,1286 0.968,1287 1.719,1288 1.233,1289 1.171,1290 1.565,1291 1.512,1292 0.825,1293 1.527,1294 1.165,1295 1.096,1296 1.513,1297 1.449,1298 0.691,1299 1.438,1300 1.153,1301 1.064,1302 1.458,1303 1.376,1304 0.575,1305 1.429,1306 1.002,1307 0.955,1308 1.232,1309 1.271,1310 0.435,1311 1.264,1312 4.078,1314 5.371,1315 2.398,1316 6.86,1317 4.727,1318 8.432,1319 6.823,1320 10.047,1322 1.669,1328 8.179,1330 5.247,1332 0.784,1333 2.573,1340 31.794,1341 72.104,1342 166.609,1343 229.403,1344 254.913,1345 257.668,1346 257.668,1347 33.082,1348 7.521,1349 38.5,1350 38.5,1351 23,1352 12.335,1353 4.087,1354 3.17,1355 38.449,1356 117,1357 106,1358 0.16,1359 193.318,1360 328.12,1361 463.455,1362 20952,1364 17.769,1365 0.683,1366 0.591,1367 17.769,1368 15.357,1369 12.814,1370 0.442,1371 0.328,1372 9.389,1373 12.364,1374 9.156,1375 7.594,1376 12.814,1377 9.502,1378 11.053,1379 0.283,1380 0.186,1381 11.053,1382 7.235,1383 9.544,1384 0.187,1385 0.108,1386 9.544,1387 5.499,1388 7.808,1389 0.12,1390 0.06,1391 7.808,1392 3.893,1393 6.347,1394 0.079,1395 0.036,1396 6.347,1397 2.869,1398 0.26,1399 79.974,1400 0.223,1401 25.841,1402 0.411,1403 136,1404 342.761,1405 146.224,1406 329.22,1407 459.51,1408 312,1409 158,1410 347.681,1411 169.473,1412 350.853,1413 506.25,1414 329,1415 8.08}
{0 CHEMBL419184,1 1.613,2 11.519,3 2.451,4 6.008,5 100.604,6 7.944,7 0.4,8 3.946,9 4.052,10 3.571,11 3.499,12 5.11,13 3.491,14 4.509,15 4.662,16 3.954,17 3.928,18 5.732,19 3.901,20 4.809,21 5.007,22 4.036,23 4.081,24 5.908,25 4.029,26 4.927,27 5.152,28 3.973,29 4.037,30 6.131,31 3.972,32 4.807,33 5.017,34 3.863,35 3.932,36 5.983,37 3.872,38 4.697,39 4.894,40 3.763,41 3.846,42 6.053,43 3.764,44 4.577,45 4.824,46 3.502,47 3.716,48 5.725,49 3.584,50 4.464,51 4.729,52 3.355,53 3.476,54 5.486,55 3.391,56 0.14,57 0.679,58 8.22,59 4.128,60 9.785,61 5.128,62 0.368,63 1.141,64 16.632,65 6.972,66 47.079,67 9,68 0.329,69 1.439,70 24.98,71 9.744,72 43.424,73 12.916,74 0.686,75 1.487,76 31.616,77 10.75,78 115.526,79 14.242,80 0.626,81 1.29,82 27.878,83 9.776,84 106.137,85 12.423,86 0.808,87 1.172,88 24.204,89 8.674,90 120.42,91 11.325,92 0.426,93 1.056,94 22.217,95 8.488,96 92.919,97 12.091,98 0.429,99 0.917,100 21.434,101 6.483,102 66.327,103 9.102,104 18,105 43,106 0.274,107 0.577,108 0.714,109 0.796,110 0.813,111 0.821,112 3.34,113 0.897,114 -4.39,115 -4.32,116 -4.08,121 43.5,123 2,127 3,129 1,144 8,145 3,146 1,160 2,168 2,176 10,179 3,180 11,187 11,192 14,200 5,205 2,206 15,214 6,218 2,219 4,227 8,231 7,232 3,239 6,243 2,244 6,251 2,256 9,264 2,268 1,269 5,277 6,281 1118,282 18.206,283 18.206,284 18.206,285 18.206,286 18.206,287 16.293,288 24.936,289 10.598,290 18.427,291 14.78,292 14.78,293 14.78,294 14.78,295 14.78,296 11.828,297 35.296,298 5.025,299 15.103,300 3.911,301 2.132,302 1.321,303 0.842,304 0.739,305 0.696,306 4.036,310 1,311 1,312 1,313 678,314 2.915,317 59.052,318 251.075,321 113.199,325 1.871,326 39.633,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 59.5,338 311,339 4.636,340 3.986,341 7.081,342 4.35,343 3.366,344 4.247,345 2.612,346 12.148,347 3.308,348 4.176,349 3.774,350 6.142,351 3.744,352 2.781,353 3.73,354 1.349,355 8.909,356 2.677,357 3.94,358 3.256,359 5.843,360 3.63,361 2.665,362 3.457,363 0.916,364 7.906,365 2.578,366 3.7,367 3.021,368 5.577,369 3.434,370 2.45,371 2.88,372 0.8,373 7.624,374 2.406,375 3.438,376 2.67,377 5.481,378 3.108,379 2.156,380 2.644,381 0.172,382 6.398,383 2.09,384 3.368,385 2.427,386 5.089,387 3.052,388 2.018,389 2.477,391 6.147,392 2.026,393 3.023,394 2.241,395 4.763,396 2.607,397 1.613,398 2.14,400 4.718,401 1.596,402 2.842,403 1.75,404 3.802,405 2.396,406 1.402,407 1.951,409 3.036,410 1.392,411 2.66,412 1.527,413 3.706,414 2.162,415 1.168,416 1.635,418 2.863,419 1.159,420 2.5,421 1.271,422 3.592,423 2,424 1,425 1.5,427 2.342,428 1,429 2.498,430 1.106,431 3.414,432 1.984,433 1,434 1.411,436 2.275,437 0.983,438 2,439 1.077,440 3.247,441 1.947,442 0.921,443 1,445 2.136,446 0.939,447 1.548,448 1,449 3.103,450 1.229,451 0.222,452 0.261,454 0.556,455 0.221,456 1.138,457 1,458 2.75,459 0.85,460 -0.169,461 -0.212,463 -0.438,464 -0.171,465 1.06,466 0.299,467 2.508,468 0.583,469 -0.45,470 -0.642,472 -1.124,473 -0.459,474 12.533,475 0.464,476 0.716,477 0.027,478 35.75,479 1.324,480 18,481 0.667,482 17.75,483 0.657,484 20.85,485 0.772,486 28.867,487 0.628,488 27.383,489 1.014,490 7.027,491 0.26,492 6.015,493 0.223,494 0.106,496 0.375,501 0.422,502 1.255,503 0.673,504 1.035,505 0.455,506 0.936,507 0.535,508 1.112,509 0.827,510 0.993,511 0.407,512 0.965,513 0.722,514 1.162,515 0.897,516 1.129,517 0.565,518 1.053,519 0.979,520 0.95,521 0.977,522 0.979,523 0.909,524 0.972,525 1.175,526 0.946,527 1.041,528 0.985,529 1.28,530 0.993,531 0.804,532 0.988,533 1.116,534 1.079,535 0.967,536 1.164,537 0.325,538 1.145,539 0.863,540 1.189,541 0.306,542 1.159,543 1.017,544 0.891,545 0.939,546 0.825,547 0.916,548 0.845,549 5,550 0.139,551 3.111,552 2.736,553 1.672,554 0.962,555 0.609,556 0.383,557 0.238,558 0.214,559 9227,560 27547,561 2.097,562 41.3,564 15,570 4,572 1.698,573 1.952,574 3.462,575 -0.733,576 1,577 1,582 74.18,583 1.613,584 3.392,585 4.203,586 4.681,587 4.784,588 4.828,589 2.972,590 4.106,591 4.721,592 3.638,593 1277.05,594 8.183,595 16284.8,597 1,599 1,600 254.084,601 1.447,602 4.681,603 0.167,604 0.007,605 0.072,606 0.061,607 0.042,608 0.027,609 0.02,610 0.016,611 0.011,612 0.01,613 0.432,614 0.17,615 1,616 0.76,617 134.189,618 0.153,619 -0.08,620 0.067,621 -0.001,622 0.022,623 -0.001,624 0.136,625 0.018,626 0.002,627 0.001,628 0.146,629 -0.021,630 -0.023,631 -0.129,632 0.013,633 -0.138,634 0.054,635 -0.062,636 -0.017,637 0.004,638 0.037,639 -0.011,640 0.038,641 0.023,642 -0.102,643 -0.017,644 -0.026,645 -0.002,646 -0.151,647 -0.003,648 0.233,649 -0.028,650 -0.128,651 -0.101,652 0.095,653 -0.189,654 0.286,655 -0.234,656 0.12,657 -0.171,658 0.263,659 -0.084,660 -0.093,661 0.042,662 0.132,663 0.117,664 -0.065,665 0.171,666 2.553,667 5.723,668 0.778,669 27.742,670 1.015,671 1.123,672 3.162,673 9.999,674 0.672,675 3.434,676 3.784,677 4.094,678 4.382,679 4.625,680 4.71,681 4.898,682 5.011,683 5.056,684 5.069,685 6.646,686 0.655,687 365.42,688 3.434,689 4.99,690 5.861,691 6.756,692 7.646,693 8.55,694 9.451,695 10.361,696 11.269,697 12.183,698 6.5,701 1,705 1,709 1,715 8,720 4,722 12,735 1,741 46,743 16,744 2,745 30,747 49,748 20,749 12,750 4,751 8,752 2,756 4,757 5,767 3,770 3,772 14,773 6,777 4,779 1,782 4,786 2,789 1,790 1,793 19,794 6,796 7,802 3,805 1,808 0.75,809 4,828 1,829 3,832 1,855 1,859 3,868 27,876 5,880 1,881 2,893 8.7,896 2,899 2,901 13.833,902 8.267,903 5.861,904 2.868,907 2.336,908 1.304,909 0.984,910 4.668,911 10.017,912 3.714,913 4.277,914 4.804,915 5.321,916 5.812,917 6.009,918 6.362,919 6.45,920 6.596,921 6.574,922 0.875,923 45,924 10.094,926 4.534,927 0.026,929 8.049,931 18.886,933 16.074,936 2.549,937 68.833,940 1,941 223.651,942 108.919,943 11.919,945 101.037,948 108.919,949 324.688,950 11.919,951 5.67,952 14.51,953 75.81,954 59.699,955 15.438,957 223.651,958 50.747,959 223.651,960 120.838,961 101.037,964 176.567,965 97.374,966 50.747,968 17.635,969 97.533,970 5.67,972 223.651,973 112.955,974 108.919,977 223.651,978 33.109,979 87.729,981 101.037,982 223.651,983 112.955,984 108.919,986 0.589,987 0.351,988 0.19,989 0.105,990 22,991 10,992 0.082,993 4,994 1,995 1.095,996 3.884,997 235.983,998 0.095,999 21,1000 118.382,1005 17.687,1006 7.126,1007 3.33,1009 107.285,1010 14.059,1015 1.469,1018 445.525,1019 40,1021 -0.553,1024 47.301,1028 -0.758,1031 46.683,1032 51.654,1034 0.292,1035 0.614,1036 0.761,1037 0.847,1038 0.866,1039 0.874,1040 4.97,1041 1.402,1042 5.861,1043 4.718,1044 4.466,1045 4.963,1046 2.918,1047 6.711,1048 4.427,1049 6.169,1050 1.168,1051 7.446,1052 3.036,1053 4.111,1054 4.796,1055 2.431,1056 7.695,1057 4.041,1058 7.479,1059 1,1060 9.134,1061 2.863,1062 6.094,1063 7.089,1064 4.267,1065 10.838,1066 6.004,1067 8.822,1068 1,1069 10.882,1070 2.342,1071 6.567,1072 7.736,1073 4.528,1074 12.692,1075 6.45,1076 10.199,1077 0.921,1078 12.671,1079 2.275,1080 8.037,1081 9.531,1082 5.975,1083 15.38,1084 7.902,1085 11.6,1086 0.222,1087 14.488,1088 2.136,1089 8.895,1090 10.557,1091 6.562,1092 17.61,1093 8.738,1094 13.022,1095 -0.169,1096 16.327,1097 0.556,1098 10.173,1099 12.152,1100 7.801,1101 20.158,1102 10,1103 3.366,1104 -0.45,1105 18.184,1106 -0.438,1107 11.214,1108 13.366,1109 8.55,1110 22.547,1111 11.023,1112 2.781,1113 12.148,1114 20.056,1115 -1.124,1116 12.426,1117 14.872,1118 9.672,1119 25.055,1120 12.22,1121 2.665,1122 8.909,1123 21.94,1124 4.247,1125 13.553,1126 16.185,1127 10.509,1128 27.508,1129 13.331,1130 2.45,1131 7.906,1132 23.835,1133 3.73,1134 14.748,1135 17.649,1136 11.564,1137 30.005,1138 14.512,1139 2.156,1140 7.624,1141 25.74,1142 3.457,1143 15.915,1144 19.016,1145 12.452,1146 32.484,1147 15.664,1148 2.018,1149 6.398,1150 27.652,1151 2.88,1152 17.11,1153 20.463,1154 13.468,1155 34.979,1156 16.845,1157 1.613,1158 6.147,1159 29.571,1160 2.644,1161 18.297,1162 21.86,1163 14.386,1164 37.468,1165 18.017,1166 8756,1167 15355,1168 19.997,1169 30.926,1170 45.994,1171 48.752,1172 47.149,1173 45.545,1174 45.522,1175 58.665,1176 11.7,1177 134.116,1178 44.748,1179 5.636,1180 5.986,1181 6.883,1182 5.385,1183 5.366,1184 7.247,1185 4.612,1186 19.643,1187 5.308,1188 13.258,1189 1.533,1190 1.625,1191 1.572,1192 1.518,1193 1.517,1194 1.955,1195 0.39,1196 4.471,1197 1.492,1198 4.077,1199 4.101,1200 4.047,1201 3.958,1202 7.815,1203 3.973,1204 3.934,1205 3.973,1206 3.857,1207 3.856,1208 7.446,1209 3.851,1210 3.803,1211 3.85,1212 3.73,1213 3.658,1214 7.408,1215 3.657,1216 3.619,1217 3.643,1218 3.574,1219 3.283,1220 6.999,1221 3.35,1222 3.27,1223 3.328,1224 3.184,1225 3.043,1226 4.757,1227 3.055,1228 3.111,1229 3.206,1230 2.996,1231 2.941,1232 4.618,1233 2.921,1234 3.111,1235 3.154,1236 2.939,1237 2.892,1238 4.303,1239 2.91,1240 2.974,1241 2.973,1242 2.866,1243 2.735,1244 3.843,1245 2.751,1246 0.155,1247 0.133,1248 0.236,1249 0.145,1250 0.112,1251 4.636,1252 0.142,1253 3.986,1254 0.087,1255 7.081,1256 0.405,1257 4.35,1258 0.11,1259 3.366,1260 4.247,1261 2.612,1262 12.148,1263 3.308,1264 1.928,1265 1.896,1266 2.076,1267 2.072,1268 1.419,1269 2.068,1270 1.913,1271 1.892,1272 1.985,1273 2.06,1274 1.138,1275 2.028,1276 1.803,1277 1.75,1278 1.983,1279 1.943,1280 1.104,1281 1.959,1282 1.344,1283 1.304,1284 1.516,1285 1.666,1286 0.825,1287 1.578,1288 1.231,1289 1.216,1290 1.513,1291 1.606,1292 0.745,1293 1.537,1294 1.153,1295 1.077,1296 1.328,1297 1.376,1298 0.467,1299 1.429,1300 1.125,1301 1.064,1302 1.236,1303 1.34,1304 0.261,1305 1.345,1306 0.886,1307 0.821,1308 1.181,1309 1.096,1310 0.218,1311 1.107,1312 4.111,1314 5.451,1315 2.398,1316 6.991,1317 4.949,1318 8.618,1319 7.209,1320 10.291,1328 3.864,1332 -0.163,1333 3.614,1340 30.138,1341 74.18,1342 156.03,1343 193.329,1344 215.329,1345 220.084,1346 222.084,1347 63.189,1348 7.682,1349 88.13,1350 88.13,1351 23,1352 12.697,1353 4.087,1354 3.459,1355 40.389,1356 106,1357 113,1358 0.187,1359 183.065,1360 327.72,1361 438.439,1362 22635,1364 18.966,1365 0.702,1366 0.545,1367 18.966,1368 14.706,1369 13.042,1370 0.435,1371 0.299,1372 8.843,1373 12.475,1374 8.703,1375 7.143,1376 13.042,1377 8.97,1378 11.961,1379 0.278,1380 0.162,1381 11.961,1382 6.96,1383 10.331,1384 0.175,1385 0.09,1386 10.331,1387 5.284,1388 8.737,1389 0.111,1390 0.049,1391 8.737,1392 3.87,1393 7.108,1394 0.07,1395 0.028,1396 7.108,1397 2.827,1398 0.294,1399 82.416,1400 0.224,1401 26.031,1402 0.508,1403 146,1404 473.877,1405 161.768,1406 451.506,1407 598.9,1408 416,1409 175,1410 434.624,1411 191.632,1412 432.992,1413 634.53,1414 406,1415 4.569}
{0 CHEMBL419470,1 1.523,2 9.609,3 3.038,4 9.227,5 88.645,6 7.367,7 0.462,8 3.856,9 3.977,10 3.422,11 3.398,12 4.922,13 3.385,14 4.406,15 4.563,16 3.833,17 3.835,18 5.495,19 3.795,20 4.698,21 4.905,22 3.823,23 3.964,24 5.649,25 3.884,26 4.742,27 4.994,28 3.645,29 3.856,30 5.696,31 3.745,32 4.584,33 4.837,34 3.53,35 3.607,36 5.627,37 3.53,38 4.293,39 4.494,40 3.336,41 3.397,42 5.376,43 3.349,44 4.101,45 4.293,46 3.301,47 3.349,48 5.233,49 3.293,50 4.145,51 4.354,52 3.176,53 3.345,54 5.295,55 3.266,56 0.03,57 0.627,58 8.81,59 3.742,60 6.739,61 4.913,62 0.294,63 1.038,64 16.527,65 6.585,66 30.218,67 8.939,68 0.192,69 1.302,70 23.767,71 8.695,72 27.552,73 12.034,74 0.238,75 1.277,76 26.419,77 8.881,78 37.18,79 12.723,80 0.322,81 0.991,82 23.688,83 7.667,84 46.543,85 10.54,86 0.349,87 0.734,88 17.312,89 5.558,90 37.779,91 6.973,92 0.207,93 0.677,94 13.316,95 4.844,96 25.923,97 6.394,98 0.309,99 0.713,100 14.336,101 4.567,102 41.385,103 6.116,104 5,105 38,106 0.267,107 0.617,108 0.769,109 0.853,110 0.876,111 0.876,112 3.189,113 0.904,114 -3.85,115 -3.81,116 -3.62,121 42.9,122 1,123 1,125 1,127 1,130 1,144 8,145 1,146 3,161 1,176 9,179 1,180 2,183 2,184 1,185 7,187 10,192 2,197 8,200 7,206 7,211 5,214 3,219 8,222 1,224 3,227 2,232 3,235 1,237 1,239 4,244 2,247 1,248 1,249 2,251 8,259 1,260 1,264 8,274 2,277 8,281 680,282 15.634,283 15.634,284 15.634,285 15.634,286 15.634,287 14.043,288 23.898,289 9.148,290 15.917,291 12.861,292 12.861,293 12.861,294 12.861,295 12.861,296 10.462,297 36.106,298 4.364,299 13.32,300 3.87,301 1.875,302 1.006,303 0.53,304 0.399,305 0.399,306 3.886,310 1,311 1,312 1,313 496,314 3.24,317 87.593,318 121.448,320 70.367,321 74.132,324 104.071,325 1.486,326 18.78,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 49.5,338 221,339 4.755,340 3.87,341 7.887,342 4.636,343 3.649,344 4.153,345 2.186,346 14.705,347 3.601,348 4.01,349 3.674,350 5.985,351 3.652,352 2.705,353 3.482,354 0.647,355 8.253,356 2.557,357 3.886,358 2.731,359 5.543,360 3.505,361 2.531,362 3.266,363 0.366,364 7.49,365 2.464,366 3.564,367 2.532,368 5.279,369 3.188,370 2.23,371 2.807,372 0.247,373 6.723,374 2.115,375 3.276,376 2.328,377 5.246,378 2.883,379 1.921,380 2.489,382 5.87,383 1.839,384 2.965,385 2.204,386 4.628,387 2.753,388 1.797,389 2.045,391 4.93,392 1.705,393 2.847,394 1.519,395 4.116,396 2.378,397 1.387,398 1.977,400 2.995,401 1.369,402 2.5,403 1.321,404 3.647,405 2.109,406 1.137,407 1.5,409 2.969,410 1.103,411 2.42,412 1.119,413 3.571,414 2.037,415 1.06,416 1.401,418 2.503,419 1.033,420 2.14,421 1,422 3.247,423 2,424 1,425 1.135,427 2.136,428 1,429 1.489,430 0.859,431 3.148,432 1.236,433 0.302,434 0.34,436 0.8,437 0.28,438 1.18,439 0.461,440 2.941,441 0.854,442 -0.084,443 -0.096,445 -0.224,446 -0.078,447 0.952,448 0.214,449 2.798,450 0.632,451 -0.353,452 -0.439,454 -0.874,455 -0.343,456 0.61,457 -0.347,458 2.369,459 0.272,460 -0.71,461 -0.798,463 -1.882,464 -0.689,465 0.54,466 -0.646,467 2.331,468 0.161,469 -0.828,470 -1.077,472 -2.265,473 -0.817,474 10.867,475 0.472,476 0.609,477 0.026,478 30.25,479 1.315,480 15,481 0.652,482 15.25,483 0.663,484 17.352,485 0.754,486 24.533,487 0.584,488 20.234,489 0.88,490 5.801,491 0.252,492 5.348,493 0.233,494 0.077,495 0.046,496 0.276,501 0.861,502 1.211,503 0.797,504 1.005,505 0.64,506 0.898,507 0.546,508 1.073,509 0.833,510 1.006,511 0.422,512 0.966,513 1.019,514 1.222,515 1.058,516 1.138,517 0.738,518 1.107,519 1.004,520 1.056,521 1.055,522 1.089,523 0.765,524 1.067,525 1.398,526 0.87,527 0.889,528 0.884,529 1.521,530 0.828,531 2.165,532 0.819,533 1.172,534 0.829,535 1.911,536 0.872,537 1.266,538 1.022,539 0.977,540 1.001,541 1.52,542 0.973,543 1.614,544 0.794,545 1.306,546 0.859,547 2.662,548 1.007,549 5.5,550 0.068,551 2.889,552 2.236,553 0.947,554 0.615,555 0.42,556 0.197,557 0.218,558 0.146,559 6151,560 14389,561 2.157,562 45.2,563 3,564 10,565 1,567 3,569 2,572 1.654,573 2.044,574 3.229,575 0.989,576 1,577 1,579 1,582 63.953,583 1.523,584 3.517,585 4.386,586 4.862,587 4.993,588 4.993,589 2.653,590 4.089,591 4.498,592 3.393,593 858.406,594 7.725,595 9733.19,596 1,597 1,599 1,600 226.477,601 1.445,602 4.459,603 0.212,604 0.005,605 0.076,606 0.062,607 0.034,608 0.025,609 0.02,610 0.009,611 0.012,612 0.009,613 0.464,614 0.5,615 1,616 0.503,617 107.612,618 -0.076,619 -0.029,620 0.047,621 0.025,622 -0.069,623 0.055,624 0.323,625 0.046,626 0.058,627 0.001,628 0.227,629 -0.011,630 -0.107,631 -0.193,632 -0.118,633 -0.157,634 -0.031,635 -0.142,636 -0.07,637 -0.081,638 -0.066,639 -0.14,640 0.055,641 -0.098,642 -0.009,643 0.012,644 0.172,645 0.067,646 0.001,647 0.137,648 -0.262,649 0.084,650 -0.097,651 0.127,652 -0.236,653 0.047,654 0.025,655 -0.039,656 0.007,657 -0.015,658 -0.017,659 -0.02,660 -0.219,661 0.242,662 -0.3,663 0.07,664 -0.385,665 -0.099,666 2.145,667 5.028,668 0.783,669 17.161,670 1.001,671 1.125,672 2.619,673 6.858,674 0.667,675 3.296,676 3.664,677 3.97,678 4.277,679 4.454,680 4.511,681 4.682,682 4.745,683 4.745,684 4.812,685 5.784,686 0.636,687 309.4,688 3.296,689 4.86,690 5.733,691 6.642,692 7.538,693 8.457,694 9.366,695 10.29,696 11.208,697 12.136,698 7.1,700 1,703 1,705 1,715 8,720 4,722 12,734 1,737 1,741 42,743 13,744 2,745 26,747 45,748 18,749 12,750 4,751 8,756 4,757 7,763 1,764 1,766 1,767 1,770 1,772 13,773 5,777 1,782 1,786 1,789 1,790 1,793 19,794 5,795 3,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,853 1,859 2,864 1,868 23,876 2,877 3,878 1,880 1,882 1,893 4.8,896 1,898 1,901 11.25,902 7.583,903 4.903,904 2.493,907 2.132,908 1.29,909 0.995,910 3.51,911 9.479,912 3.526,913 4.094,914 4.605,915 5.153,916 5.627,917 5.729,918 6.076,919 6.331,920 6.392,921 6.626,922 1,923 36,924 8.514,926 3.718,927 0.026,929 7.67,931 16.44,933 14.086,936 2.17,937 49.917,940 1,941 188.338,942 109.98,943 54.032,945 36.145,948 109.98,949 224.482,950 54.032,951 8.825,952 22.651,953 93.821,954 43.156,955 24.942,956 18.534,957 176.567,959 188.338,960 164.013,961 36.145,964 164.795,965 59.687,968 49.487,969 96.515,970 18.011,972 188.338,973 90.177,974 109.98,977 188.338,978 25.345,979 84.635,980 54.032,981 36.145,982 188.338,983 90.177,984 109.98,986 0.59,987 0.347,988 0.193,989 0.099,990 21,991 8,992 0.067,993 3,994 2,995 1.222,996 3.603,997 190.391,998 0.222,999 18,1000 100.042,1005 14.547,1006 5.549,1007 2.58,1009 90.177,1010 15.048,1015 3.595,1017 54.032,1018 388.495,1019 33,1024 12.028,1028 -0.478,1031 42.029,1032 47.235,1034 0.282,1035 0.652,1036 0.813,1037 0.902,1038 0.926,1039 0.926,1040 4.796,1041 1.137,1042 5.759,1043 2.995,1044 4.344,1045 4.779,1046 2.351,1047 6.663,1048 4.278,1049 6.003,1050 1.06,1051 7.378,1052 2.969,1053 4.111,1054 4.575,1055 1.784,1056 8.023,1057 4.037,1058 7.328,1059 1,1060 9.124,1061 2.503,1062 6.061,1063 6.89,1064 3.501,1065 11.159,1066 5.947,1067 8.692,1068 0.302,1069 10.957,1070 2.136,1071 6.711,1072 7.465,1073 3.59,1074 13.452,1075 6.603,1076 10.095,1077 -0.084,1078 12.85,1079 0.8,1080 8.185,1081 9.302,1082 4.906,1083 16.241,1084 8.051,1085 11.525,1086 -0.353,1087 14.79,1088 -0.224,1089 9.223,1090 10.251,1091 5.289,1092 18.823,1093 9.094,1094 12.978,1095 -0.71,1096 16.763,1097 -0.874,1098 10.551,1099 11.879,1100 6.387,1101 21.536,1102 10.408,1103 3.649,1104 -0.828,1105 18.762,1106 -1.882,1107 11.746,1108 13.031,1109 6.93,1110 24.196,1111 11.602,1112 2.705,1113 14.705,1114 20.778,1115 -2.265,1116 13.038,1117 14.555,1118 7.902,1119 26.891,1120 12.883,1121 2.531,1122 8.253,1123 22.809,1124 4.153,1125 14.293,1126 15.821,1127 8.539,1128 29.571,1129 14.131,1130 2.23,1131 7.49,1132 24.848,1133 3.482,1134 15.58,1135 17.293,1136 9.436,1137 32.261,1138 15.407,1139 1.921,1140 6.723,1141 26.895,1142 3.266,1143 16.858,1144 18.625,1145 10.13,1146 34.947,1147 16.676,1148 1.797,1149 5.87,1150 28.947,1151 2.807,1152 18.147,1153 20.069,1154 10.981,1155 37.636,1156 17.953,1157 1.387,1158 4.93,1159 31.003,1160 2.489,1161 19.434,1162 21.439,1163 11.71,1164 40.323,1165 19.229,1166 5730,1167 8878,1168 17.682,1169 28.017,1170 39.78,1171 40.588,1172 40.321,1173 39.43,1174 39.44,1175 49.187,1176 6.894,1177 118.747,1178 38.135,1179 5.717,1180 5.87,1181 7.688,1182 5.724,1183 5.649,1184 7.153,1185 3.889,1186 22.9,1187 5.601,1188 8.1,1189 1.53,1190 1.561,1191 1.551,1192 1.517,1193 1.517,1194 1.892,1195 0.265,1196 4.567,1197 1.467,1198 4.075,1199 4.112,1200 4.02,1201 3.982,1202 7.435,1203 3.986,1204 3.898,1205 3.934,1206 3.831,1207 3.821,1208 4.859,1209 3.818,1210 3.677,1211 3.718,1212 3.59,1213 3.543,1214 4.76,1215 3.545,1216 3.373,1217 3.397,1218 3.32,1219 3.073,1220 4.468,1221 3.134,1222 3.132,1223 3.236,1224 2.932,1225 2.931,1226 4.127,1227 2.914,1228 3.058,1229 3.147,1230 2.909,1231 2.836,1232 3.865,1233 2.847,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 3.805,1239 2.715,1240 2.808,1241 2.871,1242 2.68,1243 2.64,1244 3.674,1245 2.625,1246 0.183,1247 0.149,1248 0.303,1249 0.178,1250 0.14,1251 4.755,1252 0.16,1253 3.87,1254 0.084,1255 7.887,1256 0.566,1257 4.636,1258 0.139,1259 3.649,1260 4.153,1261 2.186,1262 14.705,1263 3.601,1264 1.905,1265 1.885,1266 2.014,1267 2.008,1268 1.31,1269 2.008,1270 1.88,1271 1.85,1272 1.998,1273 1.966,1274 1.061,1275 1.978,1276 1.605,1277 1.554,1278 1.809,1279 1.773,1280 0.996,1281 1.786,1282 1.435,1283 1.347,1284 1.689,1285 1.707,1286 0.927,1287 1.711,1288 1.199,1289 1.175,1290 1.361,1291 1.528,1292 0.47,1293 1.468,1294 0.979,1295 0.891,1296 1.311,1297 1.263,1298 0.28,1299 1.298,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.799,1307 0.736,1308 1.083,1309 1.039,1310 0.161,1311 1.046,1312 3.97,1314 5.323,1315 3.045,1316 6.872,1317 5.533,1318 8.517,1319 7.735,1320 10.218,1322 2.24,1328 2.06,1329 9.683,1330 5.439,1332 0.255,1334 0.046,1340 26.708,1341 63.953,1342 147.722,1343 184.213,1344 204.213,1345 209.722,1346 209.722,1347 31.028,1348 7.347,1349 62.39,1350 62.39,1351 22,1352 12.642,1353 3.807,1354 3,1355 32.034,1356 80,1357 79,1358 0.197,1359 161.743,1360 280.82,1361 386.412,1362 15192,1364 15.864,1365 0.69,1366 0.562,1367 15.864,1368 12.927,1369 11.149,1370 0.429,1371 0.301,1372 7.736,1373 10.767,1374 7.559,1375 6.247,1376 11.149,1377 7.834,1378 10.457,1379 0.275,1380 0.165,1381 10.457,1382 6.287,1383 8.933,1384 0.172,1385 0.092,1386 8.933,1387 4.767,1388 7.785,1389 0.11,1390 0.049,1391 7.785,1392 3.459,1393 6.036,1394 0.071,1395 0.026,1396 6.036,1397 2.216,1398 0.308,1399 69.557,1400 0.238,1401 22.595,1402 0.538,1403 128,1404 336.47,1405 140.637,1406 325.926,1407 454.2,1408 306,1409 154,1410 345.543,1411 165.644,1412 348.52,1413 514.24,1414 329,1415 7.656}
{0 CHEMBL420378,1 1.379,2 13.448,3 5.942,4 35.305,5 123.485,6 6.85,7 0.375,8 4.155,9 4.285,10 3.657,11 3.749,12 5.066,13 3.681,14 4.757,15 4.952,16 4.008,17 4.183,18 5.601,19 4.078,20 5.116,21 5.357,22 4.1,23 4.386,24 5.922,25 4.237,26 5.19,27 5.465,28 3.928,29 4.333,30 5.945,31 4.142,32 5.079,33 5.366,34 3.826,35 4.201,36 5.844,37 4.015,38 4.914,39 5.173,40 3.784,41 4.097,42 5.742,43 3.934,44 4.849,45 5.085,46 3.732,47 4.048,48 5.757,49 3.878,50 4.795,51 5.062,52 3.517,53 3.956,54 5.548,55 3.756,56 0.055,57 0.822,58 13.802,59 6.041,60 6.151,61 8.468,62 0.158,63 1.416,64 26.738,65 10.554,66 15.498,67 15.033,68 0.273,69 1.874,70 40.778,71 15.255,72 34.886,73 21.582,74 0.325,75 1.926,76 43.909,77 16.219,78 41.284,79 23.042,80 0.384,81 1.675,82 41.089,83 14.669,84 40.714,85 20.833,86 0.26,87 1.446,88 32.908,89 12.399,90 31.948,91 17.275,92 0.358,93 1.309,94 34.402,95 11.864,96 43.385,97 16.079,98 0.239,99 1.257,100 32.046,101 11.377,102 31.323,103 15.833,104 5,105 43,106 0.225,107 0.519,108 0.734,109 0.866,110 0.871,111 0.871,112 3.407,113 1.07,114 -5.97,115 -5.82,116 -5.42,121 41.7,123 7,124 1,127 4,144 7,145 3,146 2,159 1,176 15,180 5,185 3,187 18,192 6,197 4,200 15,206 4,211 1,214 12,219 6,222 1,224 1,227 14,232 1,237 1,239 12,243 1,244 3,249 1,251 14,256 2,261 2,264 10,269 2,277 8,281 1369,282 19.878,283 19.878,284 19.878,285 19.878,286 19.878,287 18.286,288 25.181,289 11.97,290 20.154,291 15.831,292 15.831,293 15.831,294 15.831,295 15.831,296 13.355,297 29.175,298 5.756,299 16.306,300 4.528,301 2.728,302 1.406,303 0.6,304 0.567,305 0.567,306 4.11,308 1,312 1,313 854,314 3.082,318 282.373,319 102.763,323 155.279,325 2.226,326 19.412,329 0.75,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.94,337 60.333,338 390,339 4.331,340 3.606,341 6.248,342 3.97,343 2.972,344 3.973,345 1.277,346 9.413,347 2.971,348 4.061,349 3.085,350 5.898,351 3.721,352 2.761,353 3.653,354 0.916,355 8.153,356 2.664,357 3.895,358 3.034,359 5.661,360 3.616,361 2.614,362 3.236,363 0.4,364 7.923,365 2.605,366 3.638,367 2.861,368 5.39,369 3.496,370 2.518,371 2.708,372 0.172,373 7.102,374 2.463,375 3.342,376 2.451,377 5.093,378 3.123,379 2.192,380 2.499,382 6.266,383 2.01,384 3.048,385 2.142,386 4.651,387 2.743,388 1.82,389 2.115,391 5.025,392 1.656,393 2.948,394 1.995,395 4.469,396 2.649,397 1.685,398 2.082,400 4.508,401 1.622,402 2.866,403 1.928,404 4.167,405 2.643,406 1.643,407 1.902,409 3.798,410 1.596,411 2.655,412 1.584,413 3.716,414 2.398,415 1.386,416 1.723,418 3.251,419 1.397,420 2.609,421 1.281,422 3.482,423 2.17,424 1.187,425 1.609,427 2.597,428 1.143,429 2.072,430 1.089,431 3.414,432 1.984,433 1,434 1.014,436 2.275,437 0.983,438 2,439 1.077,440 3.272,441 1.852,442 0.869,443 1,445 1.963,446 0.853,447 1.754,448 0.95,449 3.118,450 1.585,451 0.564,452 0.631,454 1.315,455 0.572,456 1.221,457 0.388,458 2.841,459 1.038,460 0.056,461 0.062,463 0.144,464 0.055,465 1.079,466 0.206,467 2.455,468 0.837,469 -0.15,470 -0.167,472 -0.349,473 -0.147,474 14.348,475 0.495,476 0.588,477 0.02,478 31.75,479 1.095,480 14,481 0.483,482 17.75,483 0.612,484 29.72,485 1.025,486 31.852,487 0.531,488 20.417,489 0.704,490 5.561,491 0.192,492 8.608,493 0.297,494 0.073,496 0.272,501 0.664,502 1.261,503 0.753,504 1.039,505 0.515,506 1.013,507 0.846,508 1.163,509 0.847,510 1.025,511 0.541,512 1.043,513 0.947,514 1.104,515 0.938,516 1.043,517 0.841,518 1.044,519 0.976,520 1.047,521 0.878,522 1.007,523 1.029,524 1.034,525 0.813,526 0.892,527 0.868,528 0.933,529 0.98,530 0.917,531 1.197,532 0.975,533 0.819,534 0.944,535 1.6,536 0.972,537 1.683,538 1.013,539 1.292,540 1.1,541 2.245,542 1.112,543 1.144,544 1.062,545 1.181,546 1.111,547 1.285,548 1.1,549 5.5,550 0.098,551 2.667,552 1.313,553 1.308,554 0.802,555 0.45,556 0.292,557 0.22,558 0.133,559 13069,560 28356,561 2.132,562 51.7,563 7,564 15,567 1,568 2,569 6,572 1.711,573 2.047,574 3.714,575 -0.439,582 82.737,583 1.379,584 3.178,585 4.501,586 5.307,587 5.34,588 5.34,589 3.142,590 4.651,591 4.831,592 3.915,593 1589.41,594 8.366,595 23073.2,600 354.413,601 1.178,602 4.812,603 0.172,604 0.004,605 0.062,606 0.029,607 0.037,608 0.024,609 0.015,610 0.01,611 0.01,612 0.006,613 0.37,614 0.5,615 0.88,616 0.434,617 151.656,618 0.003,619 -0.053,620 0.035,621 0.011,622 0.022,623 0.032,624 -0.054,625 -0.026,626 -0.024,627 -0.031,628 0.044,629 -0.043,630 -0.047,631 -0.073,632 -0.045,633 -0.063,634 0.018,635 -0.059,636 -0.05,637 -0.072,638 -0.033,639 -0.058,640 -0.032,641 -0.068,642 0.118,643 0.051,644 0.045,645 0.026,646 0.023,647 0.054,648 -0.058,649 -0.003,650 0.019,651 0.014,652 -0.118,653 -0.005,654 -0.123,655 -0.056,656 -0.174,657 -0.097,658 -0.236,659 -0.136,660 -0.103,661 -0.119,662 -0.139,663 -0.118,664 -0.146,665 -0.114,666 1.375,667 5.746,668 0.793,669 32.573,670 0.985,671 1.123,672 4.736,673 22.429,674 0.662,675 3.497,676 3.784,677 4.007,678 4.22,679 4.454,680 4.5,681 4.511,682 4.595,683 4.682,684 4.745,685 8.048,686 0.608,687 411.03,688 3.497,689 5.017,690 5.844,691 6.693,692 7.532,693 8.385,694 9.228,695 10.082,696 10.927,697 11.782,698 3.3,701 1,703 1,715 7,720 5,722 12,727 1,734 1,740 1,741 60,743 13,744 2,745 32,747 63,748 25,749 12,750 5,751 7,752 1,756 4,757 5,758 1,767 5,768 1,770 7,772 13,773 12,774 1,777 1,782 1,786 1,793 31,794 3,795 1,796 4,797 1,802 2,808 0.75,809 1,829 3,830 1,834 1,855 1,859 3,865 1,868 29,876 11,877 1,880 1,881 1,892 1,893 1.7,896 1,901 14.167,902 10.426,903 6.389,904 4.065,907 2.051,908 1.267,909 0.986,910 7.02,911 9.73,912 3.689,913 4.19,914 4.659,915 5.118,916 5.596,917 5.676,918 5.784,919 5.856,920 5.985,921 6.127,922 0.889,923 45,924 10.82,926 4.58,927 0.026,929 7.481,931 21.656,933 18.514,936 1.981,937 57.444,941 353.133,942 113.446,943 21.135,944 39.149,945 25.145,948 113.446,949 417.427,950 21.135,952 26.165,953 66.334,954 48.289,955 18.938,957 353.133,958 39.149,959 353.133,960 134.581,961 25.145,962 39.149,964 282.506,965 95.772,968 29.289,969 87.281,970 57.159,972 353.133,973 46.28,974 152.594,977 353.133,978 47.112,979 69.458,980 18.011,981 64.294,982 353.133,983 46.28,984 152.594,986 0.574,987 0.325,988 0.171,989 0.096,990 20,991 8,992 0.095,993 6,994 1,995 1.087,996 4.272,997 242.033,998 0.087,999 23,1000 136.881,1005 20.592,1006 9.886,1007 5.689,1009 46.28,1010 14.407,1015 5.484,1017 18.011,1018 552.008,1019 39,1024 12.746,1028 0.292,1031 59.109,1032 67.378,1034 0.233,1035 0.538,1036 0.762,1037 0.898,1038 0.904,1039 0.904,1040 4.92,1041 1.643,1042 5.796,1043 4.508,1044 4.466,1045 4.875,1046 1.806,1047 6.529,1048 4.415,1049 6.067,1050 1.386,1051 7.303,1052 3.798,1053 3.892,1054 4.527,1055 0.325,1056 7.235,1057 3.793,1058 7.335,1059 1.187,1060 8.904,1061 3.251,1062 5.989,1063 6.912,1064 1.993,1065 10.286,1066 5.904,1067 8.631,1068 1,1069 10.56,1070 2.597,1071 6.217,1072 7.378,1073 0.393,1074 11.806,1075 6.109,1076 9.959,1077 0.869,1078 12.251,1079 2.275,1080 7.751,1081 9.251,1082 2.342,1083 14.337,1084 7.647,1085 11.309,1086 0.564,1087 13.967,1088 1.963,1089 8.376,1090 10.111,1091 0.384,1092 16.215,1093 8.263,1094 12.676,1095 0.056,1096 15.7,1097 1.315,1098 9.654,1099 11.752,1100 2.756,1101 18.549,1102 9.538,1103 2.972,1104 -0.15,1105 17.446,1106 0.144,1107 10.485,1108 12.822,1109 0.351,1110 20.598,1111 10.368,1112 2.761,1113 9.413,1114 19.203,1115 -0.349,1116 11.641,1117 14.343,1118 3.203,1119 22.854,1120 11.52,1121 2.614,1122 8.153,1123 20.968,1124 3.973,1125 12.581,1126 15.53,1127 0.312,1128 24.988,1129 12.46,1130 2.518,1131 7.923,1132 22.739,1133 3.653,1134 13.68,1135 16.985,1136 3.667,1137 27.217,1138 13.557,1139 2.192,1140 7.102,1141 24.517,1142 3.236,1143 14.677,1144 18.242,1145 0.273,1146 29.394,1147 14.556,1148 1.82,1149 6.266,1150 26.299,1151 2.708,1152 15.753,1153 19.658,1154 4.143,1155 31.615,1156 15.63,1157 1.685,1158 5.025,1159 28.086,1160 2.499,1161 16.781,1162 20.958,1163 0.236,1164 33.816,1165 16.66,1166 12184,1167 18071,1168 21.959,1169 39.745,1170 46.754,1171 47.945,1172 47.591,1173 46.762,1174 46.531,1175 56.416,1176 5.533,1177 127.465,1178 45.176,1179 5.331,1180 5.606,1181 6.004,1182 5.005,1183 4.972,1184 6.973,1185 2.555,1186 15.785,1187 4.971,1188 10.166,1189 1.461,1190 1.498,1191 1.487,1192 1.461,1193 1.454,1194 1.763,1195 0.173,1196 3.983,1197 1.412,1198 4.024,1199 4.06,1200 4.011,1201 3.944,1202 7.427,1203 3.942,1204 3.942,1205 3.982,1206 3.942,1207 3.873,1208 4.939,1209 3.865,1210 3.828,1211 3.871,1212 3.746,1213 3.727,1214 4.721,1215 3.716,1216 3.643,1217 3.694,1218 3.532,1219 3.509,1220 4.391,1221 3.502,1222 3.452,1223 3.517,1224 3.378,1225 3.302,1226 4.259,1227 3.294,1228 3.234,1229 3.313,1230 3.266,1231 3.074,1232 4.152,1233 3.068,1234 3.182,1235 3.253,1236 3.056,1237 2.994,1238 3.888,1239 2.985,1240 3.111,1241 3.206,1242 3.002,1243 2.941,1244 3.844,1245 2.91,1246 0.135,1247 0.113,1248 0.195,1249 0.124,1250 0.093,1251 4.331,1252 0.124,1253 3.606,1254 0.04,1255 6.248,1256 0.294,1257 3.97,1258 0.093,1259 2.972,1260 3.973,1261 1.277,1262 9.413,1263 2.971,1264 1.955,1265 1.929,1266 2.103,1267 2.072,1268 1.485,1269 2.086,1270 1.923,1271 1.894,1272 2.038,1273 2.02,1274 1.313,1275 2.028,1276 1.83,1277 1.785,1278 1.981,1279 1.934,1280 1.186,1281 1.957,1282 1.671,1283 1.605,1284 1.921,1285 1.854,1286 1.146,1287 1.883,1288 1.502,1289 1.447,1290 1.732,1291 1.701,1292 1.004,1293 1.713,1294 1.255,1295 1.191,1296 1.513,1297 1.461,1298 0.825,1299 1.479,1300 1.153,1301 1.064,1302 1.505,1303 1.376,1304 0.734,1305 1.429,1306 1.126,1307 1.053,1308 1.422,1309 1.332,1310 0.651,1311 1.368,1312 4.174,1314 5.468,1316 6.944,1317 2.708,1318 8.502,1319 5.094,1320 10.102,1323 6.1,1328 11.766,1329 3.488,1332 0.661,1333 2.502,1340 36.487,1341 82.737,1342 190.704,1343 270.033,1344 318.413,1345 320.413,1346 320.413,1347 49.213,1348 7.679,1349 32.34,1350 32.34,1351 25,1352 12.338,1353 3.807,1354 3,1355 45.166,1356 143,1357 119,1358 0.152,1359 226.431,1360 397.34,1361 544.252,1362 26909,1363 1.7,1364 20.054,1365 0.692,1366 0.617,1367 20.554,1368 17.886,1369 14.17,1370 0.443,1371 0.357,1372 11.004,1373 13.62,1374 10.73,1375 8.849,1376 14.459,1377 11.418,1378 12.546,1379 0.292,1380 0.209,1381 12.954,1382 9.004,1383 10.343,1384 0.192,1385 0.123,1386 10.605,1387 6.637,1388 8.339,1389 0.124,1390 0.072,1391 8.607,1392 4.815,1393 6.886,1394 0.081,1395 0.042,1396 7.052,1397 3.568,1398 0.249,1399 89.838,1400 0.213,1401 28.383,1402 0.388,1403 150,1404 333.917,1405 171.425,1406 360.551,1407 484.53,1408 338,1409 172,1410 327.302,1411 188.248,1412 345.915,1413 501.9,1414 327,1415 6.478}
{0 CHEMBL420625,1 1.382,2 12.32,3 3.932,4 15.457,5 102.634,6 6.71,7 0.571,8 3.998,9 4.129,10 3.492,11 3.558,12 4.995,13 3.512,14 4.558,15 4.744,16 3.82,17 3.976,18 5.435,19 3.898,20 4.859,21 5.098,22 3.802,23 4.113,24 5.644,25 3.979,26 4.957,27 5.241,28 3.643,29 4.053,30 5.666,31 3.877,32 4.825,33 5.116,34 3.527,35 3.927,36 5.516,37 3.758,38 4.687,39 4.951,40 3.488,41 3.882,42 5.407,43 3.724,44 4.655,45 4.918,46 3.394,47 3.814,48 5.392,49 3.647,50 4.549,51 4.827,52 3.213,53 3.667,54 5.256,55 3.482,56 0.107,57 0.723,58 11.637,59 4.799,60 11.037,61 6.722,62 0.124,63 1.201,64 20.967,65 8.212,66 14.968,67 11.742,68 0.198,69 1.505,70 29.104,71 11.067,72 24.187,73 16.084,74 0.321,75 1.543,76 33.034,77 11.925,78 31.471,79 17.592,80 0.289,81 1.341,82 29.057,83 10.524,84 27.696,85 15.401,86 0.189,87 1.223,88 24.747,89 9.277,90 19.425,91 13.583,92 0.235,93 1.151,94 24.202,95 9.085,96 22.664,97 13.022,98 0.231,99 1.009,100 21.852,101 8.223,102 21.175,103 11.929,104 2,105 38,106 0.233,107 0.563,108 0.735,109 0.821,110 0.83,111 0.83,112 3.266,113 0.983,114 -4.38,115 -4.31,116 -4.07,121 42,123 4,124 1,127 3,144 8,145 2,146 1,148 1,154 1,165 1,166 1,167 1,168 1,176 12,180 7,185 2,187 14,189 2,192 8,197 1,200 8,203 1,206 7,208 1,209 1,211 1,214 6,216 1,219 5,221 1,222 1,227 10,232 2,237 1,239 11,241 1,243 1,244 1,249 1,251 11,253 1,255 1,256 1,261 1,264 5,266 1,269 3,274 2,277 4,279 2,281 902,282 17.309,283 17.309,284 17.309,285 17.309,286 17.309,287 15.376,288 17.027,289 10.404,290 17.47,291 13.864,292 13.864,293 13.864,294 13.864,295 13.864,296 11.047,297 17.199,298 5.012,299 14.128,300 4.262,301 2.307,302 1.285,303 0.775,304 0.72,305 0.72,306 3.97,310 1,311 1,312 1,313 683,314 2.55,317 58.119,318 240.374,321 108.082,325 1.987,326 12.644,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 52.5,338 308,339 4.545,340 3.158,341 6.538,342 4.075,343 3.085,344 4.499,345 0.916,346 10.317,347 3.055,348 3.941,349 3.017,350 5.617,351 3.689,352 2.725,353 3.457,354 0.172,355 7.79,356 2.633,357 3.704,358 2.576,359 5.358,360 3.476,361 2.478,362 3.136,364 6.994,365 2.472,366 3.591,367 2.455,368 5.249,369 3.281,370 2.306,371 2.641,373 6.55,374 2.245,375 3.226,376 2.22,377 4.953,378 3.03,379 2.074,380 2.473,382 5.86,383 1.973,384 3.126,385 1.903,386 4.772,387 2.751,388 1.765,389 2.234,391 5.113,392 1.739,393 2.862,394 1.518,395 4.207,396 2.427,397 1.432,398 2.009,400 3.755,401 1.424,402 2.809,403 1.449,404 3.594,405 2.39,406 1.402,407 1.905,409 3.042,410 1.382,411 2.5,412 1.077,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.173,421 1,422 3.316,423 1.984,424 1,425 1.055,427 2.136,428 0.983,429 2,430 0.86,431 3.247,432 1.807,433 0.82,434 1,436 1.924,437 0.808,438 1.74,439 0.556,440 3.128,441 1.51,442 0.517,443 0.63,445 1.24,446 0.513,447 1.233,448 0.281,449 2.79,450 1.052,451 0.077,452 0.086,454 0.193,455 0.075,456 0.961,457 -0.133,458 2.378,459 0.643,460 -0.331,461 -0.395,463 -0.801,464 -0.321,465 0.763,466 -0.39,467 2.296,468 0.454,469 -0.526,470 -0.622,472 -1.242,473 -0.515,474 12.033,475 0.481,476 0.482,477 0.019,478 30.25,479 1.21,480 14.5,481 0.58,482 15.75,483 0.63,484 21.384,485 0.855,486 26.967,487 0.539,488 18.522,489 0.741,490 5.679,491 0.227,492 6.597,493 0.264,494 0.033,496 0.283,501 0.775,502 1.162,503 0.886,504 1.042,505 0.919,506 0.983,507 0.949,508 1.185,509 0.985,510 1.1,511 0.617,512 1.049,513 0.915,514 1.151,515 1.067,516 1.144,517 0.816,518 1.121,519 0.945,520 0.998,521 1.001,522 1.011,523 0.764,524 1.013,525 1.049,526 0.838,527 0.927,528 0.857,529 0.803,530 0.882,531 0.902,532 0.992,533 1.05,534 1.042,535 0.908,536 1.053,537 1.157,538 0.955,539 1.112,540 1.058,541 1.162,542 1.084,543 0.944,544 0.987,545 1.027,546 1.027,547 1.034,548 1.045,549 4.5,550 0.07,551 2.222,552 1.167,553 0.987,554 0.441,555 0.372,556 0.229,557 0.133,558 0.133,559 8751,560 18666,561 2.179,562 50,563 3,564 14,567 2,568 2,569 4,572 1.671,573 2.113,574 3.567,575 0.194,577 1,582 69.103,583 1.382,584 3.337,585 4.359,586 4.869,587 4.924,588 4.924,589 3.083,590 4.244,591 4.616,592 3.737,593 1121.02,594 7.933,595 14288.2,597 1,599 1,600 282.193,601 1.078,602 4.606,603 0.161,604 0.005,605 0.058,606 0.033,607 0.035,608 0.017,609 0.015,610 0.01,611 0.007,612 0.008,613 0.35,614 0.33,615 1,616 0.372,617 123.775,618 0.177,619 0.032,620 0.07,621 0.041,622 0.084,623 0.045,624 -0.041,625 -0.072,626 -0.023,627 -0.063,628 0.109,629 -0.042,630 -0.049,631 -0.135,632 -0.102,633 -0.143,634 0.012,635 -0.129,636 0.037,637 -0.063,638 -0.018,639 -0.049,640 0.08,641 -0.041,642 -0.023,643 0.082,644 0.062,645 0.104,646 0.03,647 0.09,648 -0.071,649 -0.012,650 -0.084,651 -0.058,652 -0.141,653 -0.067,654 -0.073,655 -0.004,656 -0.128,657 -0.075,658 -0.187,659 -0.104,660 0.047,661 -0.074,662 -0.049,663 -0.046,664 -0.123,665 -0.06,666 0.944,667 1.915,668 0.84,669 24.49,670 0.987,671 1.125,672 3.147,673 9.906,674 0.657,675 3.367,676 3.664,677 3.912,678 4.159,679 4.357,680 4.344,681 4.431,682 4.533,683 4.533,684 4.605,685 7.106,686 0.611,687 335.49,688 3.367,689 4.89,690 5.727,691 6.586,692 7.437,693 8.3,694 9.157,695 10.023,696 10.883,697 11.751,698 6,701 1,702 1,708 1,714 2,715 8,716 1,718 1,720 3,722 16,733 1,741 50,743 16,744 2,745 28,747 53,748 21,749 13,750 4,751 8,756 4,757 5,767 2,768 1,770 4,772 13,773 8,774 1,790 1,793 25,794 4,795 2,796 4,801 1,802 3,808 0.75,809 1,828 1,829 3,832 1,855 1,859 3,868 25,869 1,876 7,880 1,881 1,893 2,898 1,901 11.833,902 8.65,903 5.472,904 3.189,907 2.884,908 1.389,909 1.005,910 4.931,911 10.304,912 3.611,913 4.186,914 4.748,915 5.32,916 5.784,917 5.951,918 6.242,919 6.523,920 6.31,921 6.38,922 1,923 35,924 9.249,926 3.905,927 0.026,929 7.447,931 18.43,933 15.662,936 1.947,937 48.667,939 1,940 1,941 270.735,942 108.373,943 55.618,945 9.734,948 108.373,949 280.469,950 55.618,952 16.455,953 108.707,954 19.597,955 24.13,956 4.836,957 270.735,959 270.735,960 163.992,961 9.734,964 223.651,965 56.819,968 22.336,969 122.059,970 19.597,972 270.735,973 65.352,974 108.373,977 270.735,978 32.563,979 78.934,981 62.228,982 270.735,983 65.352,984 108.373,986 0.575,987 0.327,988 0.177,989 0.098,990 19,991 7,992 0.094,993 5,994 1,995 1.095,996 3.964,997 199.913,998 0.095,999 21,1000 108.096,1005 16.467,1006 7.486,1007 3.984,1008 1.906,1009 65.352,1010 16.564,1011 4.251,1013 5.415,1015 3.206,1017 32.897,1018 444.461,1019 36,1031 49.352,1032 56.272,1034 0.245,1035 0.591,1036 0.772,1037 0.863,1038 0.872,1039 0.872,1040 4.828,1041 1.402,1042 5.68,1043 3.755,1044 4.344,1045 4.871,1046 0.918,1047 6.431,1048 4.308,1049 5.999,1050 1,1051 7.194,1052 3.042,1053 3.761,1054 4.543,1055 0.325,1056 7.182,1057 3.693,1058 7.279,1059 1,1060 8.803,1061 2.275,1062 5.878,1063 7.042,1064 0.671,1065 10.26,1066 5.807,1067 8.593,1068 0.82,1069 10.47,1070 2.136,1071 6.133,1072 7.633,1073 0.393,1074 11.893,1075 6.038,1076 9.944,1077 0.517,1078 12.178,1079 1.924,1080 7.677,1081 9.568,1082 0.533,1083 14.466,1084 7.577,1085 11.322,1086 0.077,1087 13.914,1088 1.24,1089 8.346,1090 10.624,1091 0.384,1092 16.491,1093 8.229,1094 12.722,1095 -0.331,1096 15.672,1097 0.193,1098 9.638,1099 12.314,1100 0.438,1101 18.897,1102 9.514,1103 3.085,1104 -0.526,1105 17.449,1106 -0.801,1107 10.522,1108 13.604,1109 0.351,1110 21.098,1111 10.386,1112 2.725,1113 10.317,1114 19.241,1115 -1.242,1116 11.702,1117 15.185,1118 0.366,1119 23.449,1120 11.558,1121 2.478,1122 7.79,1123 21.045,1124 4.499,1125 12.697,1126 16.589,1127 0.312,1128 25.726,1129 12.544,1130 2.306,1131 6.994,1132 22.861,1133 3.457,1134 13.83,1135 18.123,1136 0.309,1137 28.062,1138 13.669,1139 2.074,1140 6.55,1141 24.686,1142 3.136,1143 14.883,1144 19.58,1145 0.273,1146 30.37,1147 14.713,1148 1.765,1149 5.86,1150 26.52,1151 2.641,1152 15.998,1153 21.095,1154 0.262,1155 32.702,1156 15.821,1157 1.432,1158 5.113,1159 28.36,1160 2.473,1161 17.081,1162 22.577,1163 0.236,1164 35.024,1165 16.896,1166 8097,1167 11959,1168 19.474,1169 32.847,1170 41.575,1171 41.394,1172 41.794,1173 41.405,1174 41.362,1175 53.249,1176 2.178,1177 114.378,1178 40.606,1179 5.545,1180 5.158,1181 6.34,1182 5.111,1183 5.085,1184 7.499,1185 1.605,1186 17.053,1187 5.055,1188 6.731,1189 1.485,1190 1.478,1191 1.493,1192 1.479,1193 1.477,1194 1.902,1195 0.078,1196 4.085,1197 1.45,1198 4.098,1199 4.118,1200 4.065,1201 3.988,1202 5.288,1203 4.001,1204 3.947,1205 3.991,1206 3.863,1207 3.864,1208 5.02,1209 3.858,1210 3.816,1211 3.864,1212 3.7,1213 3.714,1214 4.756,1215 3.703,1216 3.498,1217 3.565,1218 3.394,1219 3.342,1220 4.32,1221 3.344,1222 3.297,1223 3.364,1224 3.179,1225 3.096,1226 4.211,1227 3.106,1228 3.111,1229 3.206,1230 2.917,1231 2.941,1232 3.946,1233 2.91,1234 3.077,1235 3.15,1236 2.866,1237 2.896,1238 3.735,1239 2.893,1240 2.941,1241 3.01,1242 2.797,1243 2.777,1244 3.674,1245 2.774,1246 0.162,1247 0.113,1248 0.233,1249 0.146,1250 0.11,1251 4.545,1252 0.161,1253 3.158,1254 0.033,1255 6.538,1256 0.368,1257 4.075,1258 0.109,1259 3.085,1260 4.499,1261 0.916,1262 10.317,1263 3.055,1264 1.948,1265 1.921,1266 2.106,1267 2.071,1268 1.487,1269 2.086,1270 1.921,1271 1.891,1272 2.029,1273 2.012,1274 1.2,1275 2.016,1276 1.829,1277 1.782,1278 1.988,1279 1.947,1280 1.131,1281 1.966,1282 1.504,1283 1.444,1284 1.73,1285 1.718,1286 0.967,1287 1.719,1288 1.22,1289 1.157,1290 1.513,1291 1.45,1292 0.825,1293 1.448,1294 1.153,1295 1.064,1296 1.465,1297 1.376,1298 0.689,1299 1.429,1300 1.012,1301 0.956,1302 1.282,1303 1.337,1304 0.442,1305 1.289,1306 0.973,1307 0.927,1308 1.181,1309 1.248,1310 0.229,1311 1.264,1312 4.043,1314 5.342,1315 2.398,1316 6.832,1317 4.727,1318 8.404,1319 6.823,1320 10.018,1326 5.8,1328 8.171,1332 0.785,1333 2.57,1340 30.574,1341 69.103,1342 166.835,1343 217.928,1344 243.438,1345 246.193,1346 246.193,1347 32.091,1348 7.42,1349 55.29,1350 55.29,1351 23,1352 12.298,1353 4.087,1354 3.17,1355 36.315,1356 108,1357 96,1358 0.163,1359 186.523,1360 313.03,1361 446.877,1362 18469,1364 17.062,1365 0.682,1366 0.581,1367 17.062,1368 14.526,1369 12.276,1370 0.438,1371 0.328,1372 9.097,1373 11.946,1374 8.904,1375 7.37,1376 12.276,1377 9.178,1378 10.883,1379 0.286,1380 0.188,1381 10.883,1382 7.129,1383 9.121,1384 0.186,1385 0.108,1386 9.121,1387 5.316,1388 7.575,1389 0.12,1390 0.06,1391 7.575,1392 3.802,1393 6.157,1394 0.08,1395 0.037,1396 6.157,1397 2.813,1398 0.265,1399 75.919,1400 0.227,1401 24.958,1402 0.42,1403 132,1404 304.338,1405 140.372,1406 301.521,1407 423.23,1408 284,1409 153,1410 325.981,1411 162.648,1412 330.225,1413 476.46,1414 311,1415 7.7}
{0 CHEMBL420827,1 1.469,2 14.357,3 4.345,4 18.88,5 120.83,6 7.156,7 0.567,8 4.07,9 4.2,10 3.605,11 3.636,12 5.09,13 3.581,14 4.595,15 4.782,16 3.905,17 3.988,18 5.551,19 3.906,20 4.825,21 5.045,22 3.913,23 4.142,24 5.7,25 4,26 4.892,27 5.153,28 3.87,29 4.106,30 5.702,31 3.933,32 4.85,33 5.109,34 3.851,35 4.031,36 5.721,37 3.858,38 4.737,39 4.997,40 3.725,41 3.959,42 5.565,43 3.763,44 4.701,45 4.971,46 3.537,47 3.843,48 5.496,49 3.639,50 4.577,51 4.852,52 3.396,53 3.675,54 5.369,55 3.503,56 0.058,57 0.77,58 12.069,59 5.081,60 8.592,61 6.959,62 0.256,63 1.251,64 23.104,65 7.993,66 23.184,67 11.219,68 0.336,69 1.502,70 30.611,71 11.455,72 29.236,73 15.423,74 0.22,75 1.572,76 34.167,77 12.549,78 29.379,79 16.917,80 0.393,81 1.501,82 35.674,83 11.719,84 41.77,85 15.234,86 0.234,87 1.351,88 30.553,89 11.1,90 29.385,91 14.523,92 0.224,93 1.26,94 31.374,95 10.924,96 30.312,97 13.989,98 0.27,99 1.096,100 26.594,101 8.792,102 28.243,103 11.719,104 5,105 38,106 0.243,107 0.528,108 0.684,109 0.808,110 0.874,111 0.886,112 3.373,113 0.996,114 -4.64,115 -4.56,116 -4.29,121 41.8,126 1,127 5,144 12,145 3,146 1,161 1,176 15,180 1,184 1,185 2,187 17,191 1,192 2,195 1,197 3,200 12,206 2,211 5,214 5,219 2,222 1,224 4,227 2,232 2,235 1,237 3,244 4,249 1,256 4,259 1,261 1,269 3,274 2,281 1312,282 19.242,283 19.242,284 19.242,285 19.242,286 19.242,287 17.049,288 19.5,289 12.085,290 19.72,291 14.881,292 14.881,293 14.881,294 14.881,295 14.881,296 11.691,297 25.805,298 5.823,299 15.638,300 4.312,301 2.584,302 1.637,303 0.891,304 0.486,305 0.414,306 4.062,311 1,312 1,313 862,314 4,318 282.624,322 144.938,325 2.189,326 13.415,329 1,330 1,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.88,337 58.5,338 402,339 4.498,340 3.788,341 6.513,342 4.029,343 3.042,344 4.432,345 1.762,346 10.232,347 3.007,348 3.927,349 3.039,350 5.484,351 3.596,352 2.625,353 3.455,354 0.916,355 7.392,356 2.558,357 3.719,358 2.95,359 5.333,360 3.299,361 2.399,362 3.026,363 0.86,364 6.762,365 2.171,366 3.365,367 2.463,368 4.856,369 3.103,370 2.164,371 2.631,372 0.247,373 5.518,374 2.021,375 3.293,376 2.24,377 4.818,378 2.907,379 1.958,380 2.427,381 0.172,382 5.415,383 1.831,384 3.118,385 2.151,386 4.136,387 2.618,388 1.663,389 2.363,391 3.772,392 1.618,393 2.858,394 1.618,395 3.755,396 2.552,397 1.618,398 1.969,400 3.436,401 1.481,402 2.768,403 1.577,404 3.593,405 2.394,406 1.412,407 1.9,409 3.01,410 1.371,411 2.677,412 1.477,413 3.568,414 2.269,415 1.27,416 1.679,418 2.826,419 1.267,420 2.5,421 1.279,422 3.344,423 2,424 1.04,425 1.5,427 2.255,428 1,429 2.348,430 1.045,431 3.247,432 1.973,433 1,434 1.282,436 2.136,437 0.964,438 2.071,439 1,440 3.163,441 1.83,442 0.861,443 1.033,445 1.935,446 0.829,447 1.376,448 0.824,449 2.804,450 1.201,451 0.294,452 0.309,454 0.655,455 0.264,456 1.297,457 0.436,458 2.519,459 0.865,460 -0.08,461 -0.099,463 -0.196,464 -0.074,465 1.015,466 0.175,467 2.318,468 0.74,469 -0.21,470 -0.247,472 -0.487,473 -0.197,474 13.867,475 0.495,476 0.452,477 0.016,478 34.75,479 1.241,480 17.5,481 0.625,482 17.25,483 0.616,484 22.108,485 0.79,486 29.933,487 0.544,488 24.572,489 0.878,490 7.318,491 0.261,492 6.402,493 0.229,494 0.096,496 0.209,501 1.006,502 1.249,503 0.754,504 0.961,505 0.86,506 0.972,507 1.54,508 1.027,509 0.895,510 0.894,511 1.016,512 0.953,513 1.11,514 1.04,515 1.046,516 1.011,517 1.073,518 1.062,519 0.919,520 1.091,521 0.949,522 1.011,523 0.868,524 0.995,525 1.482,526 0.944,527 1.142,528 0.98,529 1.27,530 0.938,531 1.009,532 0.992,533 1.088,534 1.049,535 1.041,536 1.03,537 1.23,538 1.06,539 1.255,540 1.17,541 1.27,542 1.036,543 1.473,544 0.886,545 1.082,546 0.99,547 1.275,548 0.931,549 4,550 0.095,551 2,552 1.375,553 1.027,554 0.493,555 0.324,556 0.158,557 0.148,558 0.057,559 12330,560 28533,561 2.076,562 49.1,564 25,567 2,572 1.7,573 2,574 3.768,575 0.176,577 1,582 80.796,583 1.469,584 3.197,585 4.144,586 4.89,587 5.295,588 5.368,589 3.183,590 4.307,591 4.784,592 3.985,593 1506.48,594 8.256,595 22523.3,597 1,600 317.975,601 1.095,602 4.765,603 0.133,604 0.005,605 0.053,606 0.037,607 0.031,608 0.016,609 0.012,610 0.007,611 0.007,612 0.003,613 0.306,614 0.17,615 1,616 0.444,617 147.169,618 -0.008,619 -0.122,620 0.032,621 -0.038,622 -0.047,623 -0.002,624 -0.112,625 0.058,626 -0.03,627 0.006,628 -0.036,629 -0.017,630 0.034,631 -0.021,632 -0.103,633 -0.05,634 -0.086,635 -0.093,636 0.017,637 -0.115,638 0.041,639 -0.033,640 0.075,641 -0.015,642 -0.043,643 0.068,644 -0.002,645 0.042,646 -0.008,647 0.019,648 0.005,649 0.001,650 0.006,651 -0.016,652 0.027,653 -0.046,654 -0.042,655 -0.095,656 -0.072,657 -0.095,658 -0.055,659 -0.047,660 -0.025,661 0.068,662 -0.026,663 -0.015,664 -0.068,665 0.024,666 1.054,667 2.221,668 0.571,669 30,670 0.987,671 1.12,672 3.414,673 11.654,674 0.677,675 3.434,676 3.664,677 3.85,678 4.06,679 4.22,680 4.111,681 4.127,682 4.143,683 4.111,684 3.892,685 8.557,686 0.623,687 393.6,688 3.434,689 4.92,690 5.72,691 6.55,692 7.367,693 8.204,694 9.03,695 9.872,696 10.704,697 11.55,698 5.5,701 1,705 2,714 2,715 12,720 2,722 17,741 55,743 18,744 3,745 30,747 57,748 23,749 16,750 4,751 12,756 3,757 4,761 1,772 17,773 6,777 1,783 1,786 1,790 1,793 27,794 4,795 2,796 5,797 1,802 3,808 0.667,809 1,829 3,833 1,855 1,858 1,859 2,862 1,864 1,868 28,876 5,877 2,878 1,881 1,893 1.8,897 1,901 14,902 9.783,903 6.389,904 3.171,907 2.973,908 1.422,909 0.974,910 8.091,911 10.015,912 3.701,913 4.22,914 4.738,915 5.3,916 5.829,917 5.913,918 6.214,919 6.516,920 6.752,921 6.251,922 1,923 37,924 10.311,926 4.123,927 0.026,929 7.5,931 20.177,933 15.87,936 2,937 56,940 1,941 294.278,942 194.178,943 39.146,945 11,947 45.192,948 148.986,949 305.277,950 39.146,951 8.396,952 51.523,953 113.715,954 11,955 14.213,956 0.285,957 294.278,958 45.192,959 294.278,960 188.132,961 11,962 45.192,964 294.278,966 11,968 54.648,969 133.484,971 45.192,972 294.278,973 50.146,974 194.178,977 294.278,978 26.875,979 125.236,980 36.022,981 56.192,982 294.278,983 50.146,984 194.178,986 0.555,987 0.309,988 0.17,989 0.092,990 15,991 6,992 0.158,993 9,994 1,995 1.125,996 4.272,997 212.798,998 0.125,999 16,1000 128.606,1002 1,1005 20.588,1006 11.004,1007 6.764,1008 2.352,1009 50.146,1010 24.896,1015 2.329,1017 36.022,1018 538.601,1019 39.5,1025 5.405,1028 0.612,1031 54.312,1032 61.607,1034 0.254,1035 0.553,1036 0.717,1037 0.846,1038 0.916,1039 0.928,1040 4.877,1041 1.412,1042 5.638,1043 3.436,1044 4.344,1045 4.905,1046 2.243,1047 6.333,1048 4.259,1049 6.027,1050 1.27,1051 7.114,1052 3.01,1053 3.611,1054 4.46,1055 1.404,1056 7.002,1057 3.471,1058 7.283,1059 1.04,1060 8.694,1061 2.826,1062 5.808,1063 7.036,1064 2.792,1065 10.114,1066 5.661,1067 8.577,1068 1,1069 10.341,1070 2.255,1071 5.943,1072 7.517,1073 2.615,1074 11.734,1075 5.769,1076 9.909,1077 0.861,1078 12.037,1079 2.136,1080 7.547,1081 9.52,1082 3.661,1083 14.329,1084 7.367,1085 11.27,1086 0.294,1087 13.768,1088 1.935,1089 8.141,1090 10.493,1091 3.817,1092 16.356,1093 7.955,1094 12.655,1095 -0.08,1096 15.526,1097 0.655,1098 9.463,1099 12.223,1100 4.672,1101 18.775,1102 9.27,1103 3.042,1104 -0.21,1105 17.306,1106 -0.196,1107 10.304,1108 13.456,1109 5.004,1110 20.976,1111 10.112,1112 2.625,1113 10.232,1114 19.103,1115 -0.487,1116 11.495,1117 15.054,1118 5.744,1119 23.334,1120 11.297,1121 2.399,1122 7.392,1123 20.913,1124 4.432,1125 12.464,1126 16.418,1127 6.173,1128 25.606,1129 12.268,1130 2.164,1131 6.762,1132 22.734,1133 3.455,1134 13.598,1135 17.955,1136 6.844,1137 27.943,1138 13.396,1139 1.958,1140 5.518,1141 24.565,1142 3.026,1143 14.634,1144 19.383,1145 7.329,1146 30.246,1147 14.43,1148 1.663,1149 5.415,1150 26.403,1151 2.631,1152 15.745,1153 20.892,1154 7.958,1155 32.575,1156 15.536,1157 1.618,1158 3.772,1159 28.247,1160 2.427,1161 16.814,1162 22.351,1163 8.476,1164 34.89,1165 16.6,1166 11758,1167 18018,1168 20.455,1169 37.256,1170 42.805,1171 44.309,1172 43.359,1173 42.758,1174 42.693,1175 56.014,1176 7.916,1177 110.689,1178 40.765,1179 5.462,1180 5.788,1181 6.34,1182 5.106,1183 5.042,1184 7.432,1185 3.124,1186 17.059,1187 5.007,1188 9.788,1189 1.427,1190 1.477,1191 1.445,1192 1.425,1193 1.423,1194 1.867,1195 0.264,1196 3.69,1197 1.359,1198 4.087,1199 4.11,1200 4.065,1201 4.043,1202 4.959,1203 4.039,1204 3.925,1205 3.963,1206 3.868,1207 3.855,1208 4.792,1209 3.848,1210 3.694,1211 3.751,1212 3.845,1213 3.512,1214 4.757,1215 3.497,1216 3.578,1217 3.651,1218 3.523,1219 3.42,1220 4.571,1221 3.413,1222 3.465,1223 3.517,1224 3.355,1225 3.352,1226 4.329,1227 3.335,1228 3.295,1229 3.349,1230 3.285,1231 3.154,1232 4.174,1233 3.12,1234 3.123,1235 3.204,1236 2.964,1237 2.965,1238 3.891,1239 2.952,1240 2.967,1241 3.053,1242 2.937,1243 2.903,1244 3.798,1245 2.851,1246 0.15,1247 0.126,1248 0.217,1249 0.134,1250 0.101,1251 4.498,1252 0.148,1253 3.788,1254 0.059,1255 6.513,1256 0.341,1257 4.029,1258 0.1,1259 3.042,1260 4.432,1261 1.762,1262 10.232,1263 3.007,1264 2.07,1265 2.051,1266 2.151,1267 2.13,1268 1.285,1269 2.139,1270 1.915,1271 1.883,1272 2.049,1273 2.017,1274 1.209,1275 2.03,1276 1.626,1277 1.566,1278 1.859,1279 1.868,1280 1.067,1281 1.87,1282 1.534,1283 1.475,1284 1.756,1285 1.757,1286 0.983,1287 1.768,1288 1.469,1289 1.412,1290 1.665,1291 1.611,1292 0.704,1293 1.632,1294 1.238,1295 1.188,1296 1.525,1297 1.475,1298 0.691,1299 1.494,1300 1.132,1301 1.06,1302 1.359,1303 1.336,1304 0.5,1305 1.367,1306 0.998,1307 0.923,1308 1.331,1309 1.222,1310 0.411,1311 1.274,1312 4.111,1314 5.361,1316 6.804,1318 8.34,1320 9.931,1322 2.109,1328 3.832,1329 6.483,1330 5.721,1333 2.259,1340 34.288,1341 80.796,1342 175.83,1343 227.936,1344 268.955,1345 291.22,1346 295.22,1347 39.394,1348 7.042,1349 36.53,1350 68.62,1351 18,1352 12.114,1353 4.248,1354 3.392,1355 50.356,1356 148,1357 126,1358 0.16,1359 218.378,1360 373.22,1361 524.601,1362 12836,1364 19.606,1365 0.7,1366 0.609,1367 20.106,1368 17.044,1369 13.72,1370 0.457,1371 0.332,1372 9.474,1373 13.081,1374 9.178,1375 7.663,1376 14.009,1377 9.959,1378 11.577,1379 0.305,1380 0.188,1381 11.985,1382 7.152,1383 9.033,1384 0.196,1385 0.103,1386 9.295,1387 4.729,1388 7.448,1389 0.131,1390 0.057,1391 7.701,1392 3.246,1393 5.842,1394 0.087,1395 0.031,1396 6.061,1397 2.106,1398 0.268,1399 87.768,1400 0.221,1401 28.029,1402 0.396,1403 136,1404 340.907,1405 158.381,1406 358.927,1407 485.88,1408 338,1409 152,1410 332.712,1411 168.948,1412 352.355,1413 505.98,1414 330,1415 5}
{0 CHEMBL421501,1 1.261,2 14.118,3 7.152,4 51.145,5 142.003,6 6.628,7 0.564,8 4.299,9 4.432,10 3.789,11 3.905,12 5.213,13 3.848,14 4.887,15 5.076,16 4.146,17 4.341,18 5.729,19 4.25,20 5.186,21 5.444,22 4.2,23 4.442,24 5.961,25 4.322,26 5.137,27 5.387,28 4.153,29 4.41,30 5.935,31 4.294,32 5.164,33 5.405,34 4.038,35 4.457,36 5.892,37 4.303,38 5.253,39 5.524,40 3.876,41 4.456,42 5.894,43 4.249,44 5.237,45 5.55,46 3.634,47 4.31,48 5.802,49 4.066,50 5.02,51 5.333,52 3.538,53 4.119,54 5.584,55 3.898,56 0.078,57 0.982,58 15.713,59 6.603,60 9.599,61 9.4,62 0.159,63 1.692,64 29.081,65 11.75,66 18.594,67 16.978,68 0.276,69 2.17,70 40.571,71 14.936,72 31.445,73 22.213,74 0.372,75 2.116,76 38.854,77 13.574,78 35.149,79 20.291,80 0.279,81 2.111,82 39.353,83 15.197,84 27.178,85 22.223,86 0.244,87 2.181,88 43.089,89 17.836,90 27.75,91 25.81,92 0.279,93 2.05,94 43.068,95 17.528,96 29.616,97 25.544,98 0.205,99 1.656,100 34.627,101 14.002,102 22.155,103 20.465,105 54,106 0.197,107 0.493,108 0.632,109 0.731,110 0.741,111 0.741,112 3.56,113 1.013,114 -5.45,115 -5.33,116 -4.98,121 44.1,123 10,127 2,144 8,145 4,146 2,148 4,176 17,180 8,185 6,187 18,192 8,197 6,200 9,206 2,209 2,211 10,214 16,224 4,227 22,232 2,239 24,244 2,248 1,251 18,256 2,264 14,269 2,274 4,277 10,281 1916,282 24.104,283 24.104,284 24.104,285 24.104,286 24.104,287 21.529,288 23.565,289 14.646,290 24.327,291 19.356,292 19.356,293 19.356,294 19.356,295 19.356,296 15.308,297 27.757,298 6.995,299 19.739,300 4.826,301 2.935,302 2.044,303 1.412,304 1.353,305 1.353,306 4.288,312 1,313 1102,314 3.606,317 130.225,318 329.33,321 249.042,322 279.469,325 1.862,326 15.15,329 0.75,330 0.67,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.79,337 70,338 480,339 4.644,340 3.372,341 6.832,342 4.214,343 3.234,344 4.565,345 0.4,346 11.354,347 3.169,348 4.644,349 3.372,350 6.832,351 4.214,352 3.233,353 4.565,354 0.4,355 11.354,356 3.169,357 3.926,358 2.684,359 5.989,360 3.539,361 2.547,362 3.449,364 8.393,365 2.526,366 3.926,367 2.684,368 5.989,369 3.539,370 2.547,371 3.449,373 8.393,374 2.526,375 3.519,376 2.346,377 5.38,378 3.132,379 2.178,380 2.89,382 6.702,383 2.075,384 3.517,385 2.339,386 5.38,387 3.12,388 2.168,389 2.89,391 6.701,392 2.062,393 2.941,394 1.894,395 4.078,396 2.829,397 1.838,398 2.144,400 3.804,401 1.821,402 2.938,403 1.695,404 4.076,405 2.499,406 1.527,407 2.143,409 3.421,410 1.482,411 2.871,412 1.529,413 3.983,414 2.461,415 1.472,416 1.884,418 3.227,419 1.455,420 2.638,421 1.464,422 3.921,423 2.425,424 1.436,425 1.671,427 3.118,428 1.418,429 2.564,430 1.369,431 3.762,432 2.183,433 1.194,434 1.586,436 3.114,437 1.18,438 2.451,439 1.349,440 3.612,441 2.15,442 1.153,443 1.444,445 2.999,446 1.149,447 2.261,448 1.268,449 3.555,450 2.101,451 1.115,452 1.241,454 2.619,455 1.098,456 2.229,457 1.129,458 3.465,459 2.094,460 1.105,461 1.209,463 2.475,464 1.092,465 2.051,466 1.079,467 3.405,468 1.97,469 1,470 1.036,472 2.244,473 0.968,474 16.6,475 0.488,476 0.548,477 0.016,478 42.5,479 1.25,480 21,481 0.618,482 21.5,483 0.632,484 33.484,485 0.985,486 35.6,487 0.524,488 27.347,489 0.804,490 7.34,491 0.216,492 9.542,493 0.281,496 0.301,501 0.98,502 1.173,503 0.901,504 1.014,505 0.813,506 0.963,507 1.001,508 1.226,509 0.981,510 1.093,511 0.847,512 1.046,513 1.179,514 1.1,515 0.888,516 0.928,517 0.987,518 0.895,519 1.608,520 0.965,521 1.06,522 0.901,523 1.315,524 0.935,525 1.381,526 1.046,527 1.238,528 1.118,529 1.207,530 1.159,531 0.833,532 1.065,533 1.164,534 1.186,535 1.013,536 1.196,537 0.661,538 0.889,539 0.992,540 1.012,541 0.839,542 1.023,543 0.677,544 0.856,545 0.897,546 0.924,547 0.772,548 0.926,549 3.5,550 0.056,551 3.333,552 2,553 1.956,554 0.674,555 0.361,556 0.224,557 0.169,558 0.112,559 21865,560 40927,561 2.253,562 50,563 12,564 12,567 2,568 4,569 4,572 1.752,573 2.217,574 3.628,575 0.06,582 85.767,583 1.261,584 3.153,585 4.043,586 4.676,587 4.735,588 4.735,589 2.816,590 3.97,591 5.071,592 3.918,593 2197.73,594 8.836,595 37153.4,600 413.947,601 0.874,602 5.06,603 0.09,604 0.002,605 0.062,606 0.036,607 0.038,608 0.015,609 0.01,610 0.008,611 0.006,612 0.004,613 0.272,614 0.33,615 0.75,617 186.982,618 0.011,619 -0.02,620 0.071,621 0.041,622 0.119,623 0.057,624 0.018,625 -0.141,626 -0.002,627 -0.072,628 0.104,629 -0.044,630 0.056,631 -0.074,632 0.115,633 0.038,634 0.139,635 0.073,636 -0.068,637 0.117,638 -0.039,639 0.041,640 -0.064,641 0.01,642 -0.268,643 -0.01,644 -0.251,645 -0.133,646 -0.269,647 -0.18,648 -0.108,649 -0.122,650 -0.199,651 -0.181,652 -0.2,653 -0.194,654 0.046,655 -0.001,656 -0.021,657 -0.026,658 -0.041,659 -0.028,660 0.041,661 0.035,662 0.076,663 0.063,664 0.021,665 0.07,666 0.535,667 1.909,668 0.765,669 32.055,670 0.98,671 1.121,672 4.221,673 17.814,674 0.668,675 3.689,676 4.007,677 4.357,678 4.691,679 4.927,680 5.043,681 5.17,682 5.252,683 5.204,684 5.094,685 8.823,686 0.617,687 450.68,688 3.689,689 5.231,690 6.107,691 6.999,692 7.894,693 8.796,694 9.699,695 10.606,696 11.512,697 12.421,698 5.9,703 2,708 2,714 4,715 8,716 2,720 6,722 22,734 2,741 68,743 22,744 2,745 39,747 73,748 30,749 18,750 4,751 8,756 6,757 12,767 6,770 10,772 18,773 12,793 34,794 4,795 2,796 4,802 4,808 0.333,822 2,828 2,829 4,832 2,833 2,859 2,868 34,876 12,877 2,901 15.333,902 12.067,903 7.472,904 4.825,907 4.637,908 1.531,909 1.049,910 6.27,911 13.365,912 3.932,913 4.564,914 5.242,915 5.901,916 6.51,917 6.858,918 7.238,919 7.578,920 7.821,921 7.652,922 0.889,923 55,924 12.649,926 5.438,927 0.026,929 7.314,931 25.62,933 22.322,936 1.814,937 61.667,941 376.675,942 132.199,943 69.593,948 132.199,949 376.675,950 69.593,952 29.557,953 75.81,954 69.593,955 26.832,957 376.675,959 376.675,960 201.792,964 329.591,965 47.084,968 39.358,969 92.841,970 69.593,972 376.675,973 69.593,974 132.199,977 376.675,978 56.389,979 75.81,980 36.022,981 33.571,982 376.675,983 69.593,984 132.199,986 0.57,987 0.345,988 0.208,989 0.114,990 28,991 10,992 0.123,993 9,994 4,995 1.308,996 4.769,997 321.894,998 0.308,999 26,1000 138.974,1005 21.71,1006 9.82,1007 4.365,1008 4.826,1009 69.593,1010 17.175,1011 9.818,1015 8.223,1017 36.022,1018 578.467,1019 50,1031 66.661,1032 76.221,1034 0.207,1035 0.518,1036 0.664,1037 0.768,1038 0.778,1039 0.778,1040 5.168,1041 1.527,1042 6.066,1043 3.804,1044 4.691,1045 5.252,1046 0.495,1047 6.905,1048 4.651,1049 6.36,1050 1.472,1051 7.627,1052 3.421,1053 4.111,1054 5.094,1056 7.861,1057 4.05,1058 7.675,1059 1.436,1060 9.3,1061 3.227,1062 6.286,1063 7.547,1064 0.097,1065 11.044,1066 6.206,1067 9.037,1068 1.194,1069 11.044,1070 3.118,1071 6.661,1072 8.314,1074 12.895,1075 6.562,1076 10.442,1077 1.153,1078 12.834,1079 3.114,1080 8.209,1081 10.199,1082 0.016,1083 15.57,1084 8.091,1085 11.875,1086 1.115,1087 14.656,1088 2.999,1089 9.026,1090 11.375,1092 17.761,1093 8.89,1094 13.33,1095 1.105,1096 16.499,1097 2.619,1098 10.331,1099 13.04,1100 0.003,1101 20.275,1102 10.176,1103 3.234,1104 1,1105 18.358,1106 2.475,1107 11.349,1108 14.403,1110 22.602,1111 11.174,1112 3.233,1113 11.354,1114 20.227,1115 2.244,1116 12.563,1117 15.979,1119 25.061,1120 12.369,1121 2.547,1122 11.354,1123 22.105,1124 4.565,1125 13.668,1126 17.427,1128 27.445,1129 13.453,1130 2.547,1131 8.393,1132 23.989,1133 4.565,1134 14.851,1135 18.967,1137 29.884,1138 14.616,1139 2.178,1140 8.393,1141 25.879,1142 3.449,1143 15.993,1144 20.453,1146 32.293,1147 15.737,1148 2.168,1149 6.702,1150 27.774,1151 3.449,1152 17.166,1153 21.979,1155 34.726,1156 16.889,1157 1.838,1158 6.701,1159 29.672,1160 2.89,1161 18.324,1162 23.482,1164 37.146,1165 18.027,1166 19406,1167 26694,1168 27.622,1169 45.444,1170 57.659,1171 58.667,1172 58.842,1173 58.071,1174 58.037,1175 75.12,1176 1.6,1177 165.969,1178 56.863,1179 5.604,1180 5.372,1181 6.719,1182 5.26,1183 5.234,1184 7.565,1185 0.8,1186 18.889,1187 5.169,1189 1.478,1190 1.504,1191 1.509,1192 1.489,1193 1.488,1194 1.926,1195 0.041,1196 4.256,1197 1.458,1198 4.141,1199 4.172,1200 4.099,1201 4.066,1202 4.993,1203 4.071,1204 4.096,1205 4.125,1206 4.059,1207 4.026,1208 4.959,1209 4.03,1210 3.749,1211 3.816,1212 3.616,1213 3.643,1214 4.422,1215 3.63,1216 3.714,1217 3.759,1218 3.609,1219 3.638,1220 4.419,1221 3.625,1222 3.712,1223 3.758,1224 3.578,1225 3.611,1226 4.281,1227 3.594,1228 3.507,1229 3.591,1230 3.348,1231 3.321,1232 4.206,1233 3.315,1234 3.259,1235 3.339,1236 3.123,1237 3.098,1238 3.979,1239 3.095,1240 3.122,1241 3.186,1242 2.979,1243 3.007,1244 3.908,1245 2.992,1246 0.119,1247 0.086,1248 0.175,1249 0.108,1250 0.083,1251 4.644,1252 0.117,1253 3.372,1254 0.01,1255 6.832,1256 0.291,1257 4.214,1258 0.081,1259 3.234,1260 4.565,1261 0.4,1262 11.354,1263 3.169,1264 2.039,1265 2.016,1266 2.112,1267 2.126,1268 1.375,1269 2.123,1270 2.038,1271 2.015,1272 2.106,1273 2.122,1274 1.277,1275 2.119,1276 1.76,1277 1.696,1278 2.004,1279 1.925,1280 1.256,1281 1.956,1282 1.579,1283 1.523,1284 1.835,1285 1.756,1286 1.169,1287 1.783,1288 1.56,1289 1.498,1290 1.831,1291 1.729,1292 1.169,1293 1.768,1294 1.532,1295 1.473,1296 1.775,1297 1.707,1298 1.054,1299 1.738,1300 1.505,1301 1.464,1302 1.662,1303 1.623,1304 0.859,1305 1.64,1306 1.426,1307 1.359,1308 1.634,1309 1.578,1310 0.853,1311 1.6,1312 4.369,1314 5.687,1315 3.045,1316 7.213,1317 5.283,1318 8.851,1319 7.298,1320 10.555,1328 14.042,1329 7.581,1340 41.988,1341 85.767,1342 214.399,1343 274.928,1344 317.947,1345 321.947,1346 321.947,1347 42.967,1348 8.728,1349 49.84,1350 49.84,1351 34,1352 12.938,1353 4.524,1354 3.585,1355 45.647,1356 191,1357 117,1358 0.115,1359 252.084,1360 427.4,1361 606.844,1362 109393,1364 22.744,1365 0.669,1366 0.588,1367 22.744,1368 19.999,1369 16.882,1370 0.433,1371 0.338,1372 13.1,1373 16.624,1374 12.853,1375 10.608,1376 16.882,1377 13.17,1378 14.624,1379 0.271,1380 0.182,1381 14.624,1382 9.833,1383 13.107,1384 0.17,1385 0.098,1386 13.107,1387 7.546,1388 11.765,1389 0.109,1390 0.054,1391 11.765,1392 5.856,1393 9.589,1394 0.07,1395 0.029,1396 9.589,1397 3.949,1398 0.189,1399 103.018,1400 0.19,1401 32.215,1402 0.29,1403 186,1404 373.956,1405 193.549,1406 378.531,1407 553.52,1408 362,1409 224,1410 435.014,1411 232.659,1412 444.626,1413 662.98,1414 426,1415 6.939}
{0 CHEMBL421601,1 1.69,2 11.391,3 3.681,4 13.547,5 94.848,6 7.755,7 0.458,8 3.833,9 3.952,10 3.475,11 3.393,12 4.971,13 3.339,14 4.355,15 4.543,16 3.745,17 3.734,18 5.386,19 3.651,20 4.527,21 4.718,22 3.796,23 3.8,24 5.633,25 3.699,26 4.625,27 4.893,28 3.732,29 3.782,30 5.766,31 3.629,32 4.442,33 4.662,34 3.51,35 3.661,36 5.471,37 3.518,38 4.423,39 4.677,40 3.444,41 3.626,42 5.347,43 3.413,44 4.188,45 4.427,46 3.451,47 3.443,48 5.163,49 3.258,50 4.151,51 4.418,52 3.093,53 3.341,54 4.966,55 3.165,56 0.024,57 0.687,58 9.064,59 4.216,60 8.943,61 5.169,62 0.172,63 1.066,64 20.859,65 7.204,66 16.202,67 8.594,68 0.327,69 1.234,70 24.219,71 8.334,72 35.068,73 10.07,74 0.369,75 1.286,76 28.103,77 9.641,78 70.01,79 12.492,80 0.347,81 1.032,82 22.128,83 7.586,84 48.108,85 9.101,86 0.307,87 1.021,88 25.047,89 8.345,90 42.317,91 10.256,92 0.219,93 0.879,94 20.216,95 6.682,96 31.527,97 7.899,98 0.16,99 0.74,100 21.703,101 6.801,102 20.452,103 8.276,104 22,105 31,106 0.297,107 0.625,108 0.794,109 0.842,110 0.85,111 0.85,112 3.186,113 1.06,114 -3.38,115 -3.36,116 -3.22,121 39.5,126 2,127 4,144 5,145 1,146 2,154 2,160 1,176 3,180 3,185 2,187 3,191 1,192 2,197 2,200 2,206 3,209 1,211 1,214 1,219 1,227 2,232 1,235 1,237 1,239 1,244 1,249 1,251 1,256 2,264 2,269 1,272 1,277 3,281 730,282 15.422,283 15.422,284 15.422,285 15.422,286 15.422,287 13.932,288 20.159,289 9.405,290 15.868,291 11.799,292 11.799,293 11.799,294 11.799,295 11.799,296 9.491,297 25.609,298 4.385,299 12.508,300 3.737,301 1.873,302 0.91,303 0.64,304 0.593,305 0.593,306 3.849,310 1,311 1,312 1,313 537,314 3.536,317 74.31,318 89.266,325 1.853,326 22.657,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 50,338 262,339 4.394,340 4.25,341 6.444,342 3.957,343 2.986,344 4.056,345 3.272,346 9.889,347 2.892,348 4.124,349 4.09,350 5.675,351 3.75,352 2.763,353 3.735,354 2.035,355 7.971,356 2.728,357 3.39,358 3.133,359 5.038,360 3.178,361 2.244,362 2.562,363 0.916,364 6.084,365 2.097,366 3.37,367 2.996,368 5.028,369 2.96,370 2.033,371 2.506,372 0.4,373 5.699,374 1.872,375 3.307,376 2.698,377 4.338,378 2.695,379 1.778,380 2.244,381 0.172,382 4.342,383 1.629,384 2.918,385 2.436,386 4.055,387 2.507,388 1.53,389 1.954,391 3.508,392 1.5,393 2.75,394 2.236,395 3.698,396 2.417,397 1.494,398 1.644,400 3.247,401 1.345,402 2.609,403 1.727,404 3.292,405 1.83,406 0.937,407 1.267,409 2.018,410 0.821,411 2.215,412 1.546,413 3.203,414 1.716,415 0.74,416 1.08,418 1.688,419 0.718,420 1.902,421 1.317,422 2.875,423 1.486,424 0.581,425 0.759,427 1.106,428 0.518,429 1.294,430 0.763,431 2.524,432 0.89,433 -0.028,434 -0.033,436 -0.059,437 -0.025,438 1.08,439 0.701,440 2.358,441 0.622,442 -0.312,443 -0.373,445 -0.577,446 -0.271,447 0.837,448 0.05,449 2.283,450 0.575,451 -0.335,452 -0.455,454 -0.865,455 -0.315,456 0.666,457 -0.06,458 1.941,459 0.324,460 -0.602,461 -0.754,463 -1.374,464 -0.545,465 0.164,466 -0.582,467 1.664,468 -0.1,469 -1,470 -1,472 -2,473 -0.9,474 11.152,475 0.485,476 0.489,477 0.021,478 27.75,479 1.207,480 13.5,481 0.587,482 14.25,483 0.62,484 18.775,485 0.816,486 25.448,487 0.592,488 18.072,489 0.786,490 5.284,491 0.23,492 5.812,493 0.253,494 0.151,496 0.26,499 1,501 0.719,502 1.166,503 0.76,504 1.034,505 0.506,506 0.999,507 0.965,508 0.975,509 1.182,510 1.103,511 0.531,512 0.918,513 1.193,514 1.205,515 1.111,516 1.193,517 0.872,518 1.146,519 0.619,520 0.864,521 0.82,522 0.936,523 0.574,524 0.89,525 1.441,526 0.881,527 1.178,528 0.931,529 1.2,530 1.066,531 0.843,532 0.946,533 1.272,534 1.175,535 0.974,536 1.129,537 0.894,538 1.088,539 1.137,540 1.202,541 1.034,542 1.087,543 0.579,544 0.873,545 1.418,546 1.314,547 0.408,548 0.933,549 4.5,550 0.098,551 2,552 1.632,553 0.858,554 0.559,555 0.198,556 0.178,557 0.132,558 0.129,559 6211,560 18577,561 1.971,562 46.5,564 19,567 1,572 1.648,573 1.84,574 3.452,575 -0.284,577 1,579 1,582 72.649,583 1.69,584 3.554,585 4.517,586 4.787,587 4.833,588 4.833,589 2.877,590 4.176,591 4.499,592 3.687,593 932.751,594 7.694,595 11657,597 1,599 1,600 233.329,601 1.41,602 4.449,603 0.188,604 0.006,605 0.065,606 0.056,607 0.032,608 0.027,609 0.012,610 0.011,611 0.008,612 0.008,613 0.411,614 0.33,615 1,616 1.139,617 111.869,618 -0.029,619 -0.129,620 0.061,621 -0.025,622 0.017,623 -0.014,624 -0.103,625 0.024,626 -0.08,627 -0.01,628 0.026,629 0.063,630 -0.069,631 -0.195,632 -0.108,633 -0.172,634 -0.018,635 -0.179,636 0.214,637 0.038,638 0.19,639 0.053,640 0.293,641 0.113,642 -0.277,643 0.048,644 -0.187,645 0.045,646 -0.215,647 -0.114,648 -0.02,649 -0.023,650 -0.08,651 -0.049,652 -0.109,653 -0.104,654 -0.012,655 -0.093,656 0.098,657 -0.037,658 -0.078,659 -0.058,660 0.038,661 -0.055,662 -0.089,663 -0.095,664 0.072,665 0.133,666 2.158,667 5.456,668 0.478,669 20.51,670 1.004,671 1.133,672 2.15,673 4.623,674 0.672,675 3.219,676 3.466,677 3.638,678 3.829,679 3.807,680 3.738,681 3.664,682 3.526,683 3.526,684 3.611,685 7.05,686 0.63,687 333.47,688 3.219,689 4.71,690 5.509,691 6.347,692 7.163,693 8.005,694 8.827,695 9.67,696 10.496,697 11.338,698 7,701 1,703 1,707 1,715 5,718 1,720 5,722 11,724 1,734 1,740 1,741 43,743 12,744 1,745 24,747 44,748 17,749 10,750 3,751 3,756 2,757 2,771 1,772 10,773 6,789 1,790 1,791 1,792 1,793 20,794 5,795 1,796 6,797 1,802 3,808 1,809 1,828 1,829 1,855 1,859 2,860 1,862 1,864 2,866 1,868 23,876 4,877 1,879 1,881 1,885 1,889 1,891 1,892 1,893 2.3,898 1,901 12.5,902 8.293,903 5.306,904 2.377,907 2.133,908 1.331,909 0.942,910 6.82,911 8.567,912 3.481,913 3.966,914 4.473,915 4.993,916 5.192,917 5.189,918 5.203,919 5.056,920 4.984,921 5.229,922 1,923 29,924 8.489,926 3.436,927 0.026,929 7.877,931 16.096,933 12.462,936 2.377,937 54.667,940 1,941 223.651,942 144.967,943 52.194,945 9.507,946 14.96,947 32.22,948 112.748,949 233.158,950 67.155,951 16.793,952 6.011,953 47.381,954 34.612,955 58.754,956 25.858,957 255.87,959 223.651,960 164.942,961 24.467,962 32.22,964 238.611,965 9.507,968 40.194,969 106.737,970 18.011,971 32.22,972 238.611,973 61.702,974 144.967,977 223.651,978 64.191,979 67.298,980 34.612,981 55.527,982 223.651,983 76.662,984 144.967,986 0.56,987 0.314,988 0.173,989 0.08,990 12,991 6,992 0.182,993 8,995 1,996 3.643,997 159.711,999 11,1000 100.042,1001 1,1005 17.713,1006 8.855,1007 5.491,1009 76.662,1010 8.605,1013 5.736,1015 2.03,1017 18.011,1018 445.28,1019 31.5,1031 43.174,1032 48.701,1034 0.311,1035 0.655,1036 0.832,1037 0.882,1038 0.891,1039 0.891,1040 4.689,1041 0.937,1042 5.46,1043 3.247,1044 4.143,1045 4.649,1046 3.482,1047 6.184,1048 4.044,1049 5.867,1050 0.74,1051 6.965,1052 2.018,1053 3.611,1054 4.311,1055 0.325,1056 6.952,1057 3.496,1058 7.141,1059 0.581,1060 8.571,1061 1.688,1062 5.645,1063 6.754,1064 5.582,1065 10.001,1066 5.488,1067 8.451,1068 -0.028,1069 10.24,1070 1.106,1071 5.943,1072 7.302,1073 0.393,1074 11.642,1075 5.779,1076 9.795,1077 -0.312,1078 11.95,1079 -0.059,1080 7.425,1081 9.171,1082 7.863,1083 14.192,1084 7.227,1085 11.163,1086 -0.335,1087 13.69,1088 -0.577,1089 8.124,1090 10.143,1091 0.384,1092 16.198,1093 7.918,1094 12.551,1095 -0.602,1096 15.452,1097 -0.865,1098 9.372,1099 11.759,1100 10.199,1101 18.577,1102 9.137,1103 2.986,1104 -1,1105 17.233,1106 -1.374,1107 10.268,1108 12.936,1109 0.351,1110 20.738,1111 10.018,1112 2.763,1113 9.889,1114 19.027,1115 -2,1116 11.415,1117 14.433,1118 12.557,1119 23.057,1120 11.137,1121 2.244,1122 7.971,1123 20.832,1124 4.056,1125 12.405,1126 15.712,1127 0.312,1128 25.286,1129 12.106,1130 2.033,1131 6.084,1132 22.647,1133 3.735,1134 13.51,1135 17.152,1136 14.923,1137 27.583,1138 13.183,1139 1.778,1140 5.699,1141 24.469,1142 2.562,1143 14.545,1144 18.481,1145 0.273,1146 29.843,1147 14.193,1148 1.53,1149 4.342,1150 26.297,1151 2.506,1152 15.633,1153 19.894,1154 17.292,1155 32.133,1156 15.252,1157 1.494,1158 3.508,1159 28.131,1160 2.244,1161 16.69,1162 21.249,1163 0.236,1164 34.408,1165 16.281,1166 6266,1167 10991,1168 15.603,1169 28.909,1170 35.705,1171 40.268,1172 35.626,1173 34.242,1174 34.173,1175 43.616,1176 13.592,1177 91.104,1178 32.241,1179 5.313,1180 6.25,1181 6.214,1182 5.067,1183 4.986,1184 7.056,1185 6.545,1186 16.558,1187 4.892,1188 12.694,1189 1.488,1190 1.678,1191 1.484,1192 1.427,1193 1.424,1194 1.817,1195 0.566,1196 3.796,1197 1.343,1198 3.965,1199 3.99,1200 3.997,1201 3.869,1202 8.201,1203 3.874,1204 3.923,1205 3.942,1206 3.894,1207 3.8,1208 6.819,1209 3.809,1210 3.563,1211 3.643,1212 3.71,1213 3.458,1214 5.034,1215 3.389,1216 3.491,1217 3.562,1218 3.366,1219 3.283,1220 4.638,1221 3.284,1222 3.184,1223 3.237,1224 3.143,1225 3.035,1226 4.272,1227 3.052,1228 3.093,1229 3.161,1230 3.113,1231 2.961,1232 4.121,1233 2.924,1234 2.889,1235 3.009,1236 2.769,1237 2.72,1238 3.722,1239 2.716,1240 2.874,1241 2.961,1242 2.598,1243 2.618,1244 3.62,1245 2.57,1246 0.183,1247 0.177,1248 0.268,1249 0.165,1250 0.124,1251 4.394,1252 0.169,1253 4.25,1254 0.136,1255 6.444,1256 0.412,1257 3.957,1258 0.121,1259 2.986,1260 4.056,1261 3.272,1262 9.889,1263 2.892,1264 1.901,1265 1.877,1266 1.985,1267 2.006,1268 1.147,1269 2.002,1270 1.648,1271 1.592,1272 1.868,1273 1.882,1274 1.034,1275 1.881,1276 1.596,1277 1.568,1278 1.74,1279 1.726,1280 1.019,1281 1.764,1282 1.427,1283 1.364,1284 1.661,1285 1.616,1286 0.849,1287 1.629,1288 1.281,1289 1.22,1290 1.526,1291 1.529,1292 0.657,1293 1.532,1294 1.119,1295 1.074,1296 1.417,1297 1.297,1298 0.469,1299 1.308,1300 0.934,1301 0.847,1302 1.217,1303 1.239,1304 0.362,1305 1.274,1306 0.902,1307 0.804,1308 1.175,1309 1.124,1310 0.229,1311 1.157,1312 3.892,1314 5.153,1315 2.398,1316 6.589,1317 4.595,1318 8.114,1319 6.555,1320 9.69,1322 4.009,1324 13.456,1328 3.089,1329 3.102,1331 1.729,1333 2.061,1338 8.964,1339 1.886,1340 27.091,1341 72.649,1342 152.807,1343 194.21,1344 205.82,1345 207.82,1346 207.82,1347 49.596,1348 6.435,1349 52.2,1350 77.5,1351 11,1352 11.905,1353 3.7,1354 3.087,1355 45.831,1356 100,1357 82,1358 0.223,1359 175.27,1360 304.03,1361 419.419,1362 5239,1363 2.3,1364 16.656,1365 0.724,1366 0.614,1367 16.14,1368 14.121,1369 11.097,1370 0.462,1371 0.353,1372 7.304,1373 10.14,1374 6.933,1375 5.808,1376 11.186,1377 8.479,1378 9.553,1379 0.308,1380 0.209,1381 9.523,1382 6.465,1383 7.184,1384 0.194,1385 0.111,1386 7.289,1387 4.102,1388 6.027,1389 0.134,1390 0.064,1391 6.048,1392 2.859,1393 3.892,1394 0.088,1395 0.042,1396 4.297,1397 1.829,1398 0.367,1399 74.851,1400 0.253,1401 23.405,1402 0.565,1403 110,1404 388.33,1405 140.81,1406 371.478,1407 483.91,1408 346,1409 123,1410 321.485,1411 150.896,1412 331.991,1413 474.55,1414 307,1415 5.678}
{0 CHEMBL422338,1 1.321,2 4.846,3 2.341,4 5.482,5 50.763,6 7.049,7 0.429,8 3.306,9 3.405,10 2.834,11 2.887,12 4.385,13 2.851,14 3.857,15 4.021,16 3.181,17 3.275,18 4.842,19 3.224,20 4.034,21 4.205,22 3.25,23 3.348,24 5.147,25 3.285,26 4.07,27 4.26,28 2.991,29 3.209,30 5.186,31 3.118,32 3.844,33 4.07,34 2.573,35 2.948,36 4.904,37 2.783,38 3.699,39 4.013,40 1.703,41 2.542,42 4.472,43 2.26,44 3.047,45 3.405,46 0.655,47 1.712,48 3.829,49 1.381,50 2.195,51 2.648,52 0.062,53 0.835,54 2.303,55 0.485,56 0.003,57 0.309,58 5.293,59 2.626,60 3.511,61 3.288,62 0.082,63 0.514,64 10.179,65 4.37,66 12.112,67 5.58,68 0.066,69 0.603,70 12.293,71 5.123,72 15.232,73 6.581,74 0.195,75 0.587,76 13.618,77 4.917,78 34.786,79 6.176,80 0.193,81 0.477,82 10.779,83 4.116,84 26.252,85 5.583,86 0.128,87 0.393,88 9.969,89 3.457,90 20.097,91 4.959,92 0.095,93 0.189,94 5.405,95 1.67,96 17.707,97 2.469,98 0.029,99 0.075,100 2.276,101 0.698,102 4.162,103 1.168,104 11,105 20,106 0.269,107 0.636,108 0.814,109 0.853,110 0.853,111 0.853,112 2.672,113 0.951,114 -3.63,115 -3.6,116 -3.43,121 44,122 1,123 1,124 1,126 1,144 3,145 2,146 1,159 1,176 7,180 4,187 8,192 7,200 7,206 3,214 4,218 1,219 2,227 2,281 119,282 8.715,283 8.715,284 8.715,285 8.715,286 8.715,287 7.896,288 9.752,289 4.965,290 8.863,291 6.8,292 6.8,293 6.8,294 6.8,295 6.8,296 5.424,297 9.949,298 2.217,299 6.921,300 3.323,301 1.522,302 0.651,303 0.46,304 0.46,305 0.46,306 3.302,311 1,312 1,313 129,314 1.871,317 21.579,318 27.656,321 41.731,325 0.675,326 12.621,329 1,330 0.83,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.85,337 28,338 63,339 4.524,340 3.789,341 6.79,342 4.222,343 3.218,344 4.146,345 1.277,346 11.109,347 3.233,348 3.762,349 3.054,350 5.848,351 3.442,352 2.46,353 3.062,354 0.86,355 7.785,356 2.407,357 3.089,358 2.156,359 5.015,360 2.814,361 1.825,362 2.25,364 5.383,365 1.802,366 2.839,367 1.956,368 4.365,369 2.434,370 1.436,371 1.948,373 3.849,374 1.428,375 2.438,376 1.433,377 3.592,378 2.115,379 1.119,380 1.352,382 2.548,383 1.101,384 1.691,385 1.125,386 2.794,387 1.368,388 0.448,389 0.532,391 0.741,392 0.405,393 1.122,394 0.481,395 2.43,396 0.803,397 -0.199,398 -0.239,400 -0.401,401 -0.197,402 0.719,403 -0.335,404 2.283,405 0.298,406 -0.688,407 -0.922,409 -1.499,410 -0.668,411 0.312,412 -0.735,413 2,414 0.069,415 -0.922,416 -1.078,418 -2.399,419 -0.913,420 -0.028,421 -0.901,422 1.541,423 -0.317,424 -1.369,425 -1.698,427 -3.79,428 -1.407,429 -0.484,430 -1.242,431 1.264,432 -0.707,433 -1.614,434 -1.92,436 -4.271,437 -1.479,438 -0.5,439 -1.579,440 1.094,441 -0.795,442 -1.795,443 -2.147,445 -5.686,446 -1.809,447 -0.656,448 -1.721,449 0.571,450 -0.945,451 -1.919,452 -2.286,453 -0.86,454 -6.1,455 -1.902,456 -0.828,457 -2,458 0.412,459 -1,460 -2,461 -3,462 -1.277,463 -7.27,464 -2,474 6.167,475 0.474,476 0.35,477 0.027,478 15.75,479 1.212,480 8,481 0.615,482 7.75,483 0.596,484 8.702,485 0.669,486 14.233,487 0.569,488 8.875,489 0.683,490 3.058,491 0.235,492 3.179,493 0.245,494 0.216,496 0.405,501 0.656,502 1.125,503 0.797,504 1.106,505 0.543,506 0.995,507 0.951,508 0.848,509 0.803,510 0.836,511 0.65,512 0.801,513 0.972,514 1.17,515 0.931,516 1.148,517 1.013,518 1.051,519 1.649,520 1.079,521 1.295,522 1.076,523 1.79,524 1.118,525 0.769,526 1.227,527 1.193,528 1.248,529 0.737,530 1.285,531 0.88,532 0.949,533 1.083,534 0.971,535 0.731,536 1.047,537 1.045,538 0.555,539 0.921,540 0.578,541 1.722,542 0.705,549 2.5,551 2,552 1.451,553 0.733,554 0.396,559 895,560 2375,561 1.992,562 48,563 5,564 6,568 1,572 1.493,573 1.814,574 2.378,575 -0.822,579 1,582 33.023,583 1.321,584 3.122,585 3.993,586 4.183,587 4.183,588 4.183,589 1.776,590 3.547,591 3.674,592 2.369,593 184.778,594 6.123,595 1359.37,597 1,600 116.096,601 1.549,602 3.601,603 0.179,605 0.1,606 0.073,607 0.052,608 0.05,613 0.453,614 1,615 1,616 1.057,617 45.67,618 0.002,619 -0.039,620 0.049,621 -0.029,622 -0.021,623 0.011,624 -0.07,625 0.178,626 0.116,627 0.184,628 -0.022,629 0.181,630 -0.024,631 -0.172,632 -0.001,633 -0.156,634 0.006,635 -0.087,636 -0.253,637 -0.124,638 -0.291,639 -0.139,640 -0.261,641 -0.209,642 0.163,643 -0.286,644 -0.242,645 -0.305,646 0.111,647 -0.336,648 -0.059,649 -0.073,650 -0.093,651 -0.077,652 -0.004,653 -0.089,654 -0.084,655 0.275,656 0.131,657 0.276,658 -0.208,659 0.245,660 0.313,661 0.781,662 1.05,663 0.845,664 0.306,665 1.036,666 1.422,667 4.609,668 0.692,669 5.396,670 0.998,671 1.116,672 2.402,673 5.768,674 0.659,675 2.708,676 3.045,677 3.367,678 3.611,679 3.738,680 3.638,681 3.497,682 3.296,683 2.639,684 1.946,685 3.142,686 0.624,687 176.23,688 2.708,689 4.234,690 5.106,691 5.999,692 6.893,693 7.791,694 8.689,695 9.588,696 10.487,697 11.387,715 3,720 3,722 6,727 1,739 1,741 25,743 7,744 1,745 14,747 26,748 11,749 6,750 3,751 3,752 1,756 2,757 3,763 1,767 1,768 1,770 1,772 7,773 4,774 1,777 1,782 1,786 1,793 12,794 2,796 2,808 0.5,809 2,828 1,829 1,832 1,859 1,864 2,868 13,876 1,878 1,880 1,893 8,896 1,898 1,901 7.167,902 5.167,903 2.944,904 1.535,907 1.409,908 1.252,909 0.941,910 1.929,911 7,912 2.944,913 3.512,914 4.107,915 4.609,916 5.057,917 5.116,918 5.253,919 5.214,920 4.684,921 4.038,922 1,923 20,924 4.813,925 -0.003,926 2.029,927 0.026,929 7.808,931 9.229,932 -0.001,933 7.603,934 0.001,936 2.308,937 30,938 0.009,941 141.253,942 67.42,945 36.145,948 67.42,949 177.398,951 19.708,952 2.535,953 28.429,954 30.278,955 22.614,957 141.253,959 141.253,960 67.42,961 36.145,964 141.253,965 36.145,968 11.36,969 56.06,972 141.253,973 36.145,974 67.42,977 141.253,978 19.283,979 48.137,981 36.145,982 141.253,983 36.145,984 67.42,986 0.584,987 0.374,988 0.203,989 0.105,990 11,991 5,992 0.038,993 1,994 1,995 1.222,996 2.426,997 81.878,998 0.222,999 9,1000 48.106,1005 8.455,1006 2.967,1007 1.181,1009 36.145,1010 5.654,1015 2.754,1018 244.818,1019 18,1024 11.609,1028 0.244,1031 24.956,1032 27.91,1034 0.284,1035 0.672,1036 0.86,1037 0.901,1038 0.901,1039 0.901,1040 4.182,1041 -0.688,1042 5.118,1043 -0.401,1044 3.714,1045 4.19,1046 1.748,1047 5.989,1048 3.696,1049 5.39,1050 -0.922,1051 6.725,1052 -1.499,1053 3.434,1054 4.086,1056 7.029,1057 3.434,1058 6.712,1059 -1.369,1060 8.435,1061 -2.399,1062 5.361,1063 6.365,1064 2.004,1065 10.158,1066 5.344,1067 8.076,1068 -1.614,1069 10.203,1070 -3.79,1071 5.916,1072 7.083,1074 12.021,1075 5.918,1076 9.476,1077 -1.795,1078 12.007,1079 -4.271,1080 7.348,1081 8.873,1082 2.352,1083 14.679,1084 7.344,1085 10.9,1086 -1.919,1087 13.835,1088 -5.686,1089 8.263,1090 9.958,1092 16.866,1093 8.275,1094 12.343,1095 -2,1096 15.68,1097 -6.1,1098 9.517,1099 11.551,1100 2.759,1101 19.365,1102 9.53,1103 3.218,1105 17.538,1106 -7.27,1107 10.581,1108 12.806,1110 21.682,1111 10.606,1112 2.46,1113 11.109,1114 19.407,1116 11.774,1117 14.311,1118 3.203,1119 24.124,1120 11.803,1121 1.825,1122 7.785,1123 21.283,1124 4.146,1125 12.898,1126 15.649,1128 26.494,1129 12.936,1130 1.436,1131 5.383,1132 23.166,1133 3.062,1134 14.071,1135 17.112,1136 3.667,1137 28.914,1138 14.115,1139 1.119,1140 3.849,1141 25.055,1142 2.25,1143 15.22,1144 18.491,1146 31.306,1147 15.271,1148 0.448,1149 2.548,1150 26.947,1151 1.948,1152 16.388,1153 19.934,1154 4.142,1155 33.718,1156 16.444,1157 -0.199,1158 0.741,1159 28.843,1160 1.352,1161 17.547,1162 21.333,1164 36.119,1165 17.61,1166 979,1167 1636,1168 8.959,1169 16.477,1170 21.258,1171 22.506,1172 22.649,1173 20.959,1174 21.012,1175 26.578,1176 4.275,1177 62.831,1178 20.75,1179 5.352,1180 5.789,1181 6.378,1182 5.222,1183 5.218,1184 7.146,1185 2.555,1186 18.378,1187 5.233,1188 6.565,1189 1.518,1190 1.608,1191 1.618,1192 1.497,1193 1.501,1194 1.898,1195 0.305,1196 4.488,1197 1.482,1198 4.033,1199 4.049,1200 3.984,1201 3.964,1202 7.426,1203 3.966,1204 3.537,1205 3.582,1206 3.425,1207 3.409,1208 4.838,1209 3.403,1210 3.249,1211 3.313,1212 3.076,1213 2.989,1214 4.367,1215 3.001,1216 2.965,1217 3.052,1218 2.782,1219 2.782,1220 4.051,1221 2.758,1222 2.909,1223 2.956,1224 2.701,1225 2.721,1226 3.557,1227 2.712,1228 2.532,1229 2.583,1230 2.373,1231 2.273,1232 3.445,1233 2.292,1234 2.33,1235 2.41,1236 2.083,1237 2.14,1238 2.939,1239 2.116,1240 1.717,1241 1.866,1242 1.289,1243 1.285,1244 2.558,1245 1.259,1246 0.323,1247 0.271,1248 0.485,1249 0.302,1250 0.23,1251 4.524,1252 0.296,1253 3.789,1254 0.091,1255 6.79,1256 0.793,1257 4.222,1258 0.231,1259 3.218,1260 4.146,1261 1.277,1262 11.109,1263 3.233,1264 1.886,1265 1.871,1266 1.98,1267 1.97,1268 1.209,1269 1.972,1270 1.644,1271 1.599,1272 1.87,1273 1.808,1274 1.067,1275 1.829,1276 1.195,1277 1.123,1278 1.571,1279 1.511,1280 0.575,1281 1.531,1282 1.041,1283 0.998,1284 1.357,1285 1.223,1286 0.504,1287 1.269,1288 0.903,1289 0.817,1290 1.158,1291 1.172,1292 0.228,1293 1.169,1294 0.612,1295 0.54,1296 0.917,1297 0.841,1298 0.023,1299 0.87,1300 0.096,1301 0.031,1302 0.52,1303 0.438,1305 0.452,1308 0.281,1309 0.2,1311 0.245,1312 3.367,1314 4.691,1315 2.398,1316 6.232,1317 4.844,1318 7.868,1319 7.018,1320 9.552,1322 3.602,1328 0.818,1330 5.201,1332 0.117,1340 15.59,1341 33.023,1342 78.057,1343 99.832,1344 104.587,1345 104.587,1346 104.587,1347 18.512,1348 5.591,1349 26.3,1350 26.3,1351 11,1352 11.909,1353 3,1354 2.322,1355 18.968,1356 25,1357 23,1358 0.432,1359 97.782,1360 170.26,1361 230.349,1362 1329,1364 9.422,1365 0.725,1366 0.603,1367 9.422,1368 7.833,1369 6.236,1370 0.445,1371 0.317,1372 4.383,1373 6.019,1374 4.195,1375 3.511,1376 6.236,1377 4.438,1378 5.499,1379 0.275,1380 0.173,1381 5.499,1382 3.456,1383 5.009,1384 0.179,1385 0.092,1386 5.009,1387 2.576,1388 3.986,1389 0.111,1390 0.052,1391 3.986,1392 1.863,1393 3.058,1394 0.075,1395 0.029,1396 3.058,1397 1.209,1398 0.606,1399 39.111,1400 0.334,1401 12.609,1402 1.414,1403 68,1404 201.471,1405 72.982,1406 190.057,1407 255.97,1408 178,1409 82,1410 181.182,1411 87.316,1412 185.243,1413 270.83,1414 173,1415 6.42}
{0 CHEMBL422459,1 1.371,2 4.273,3 0.275,4 0.075,5 44.259,6 6.09,7 0.545,8 3.276,9 3.419,10 2.653,11 2.713,12 4.329,13 2.664,14 3.79,15 4.026,16 2.981,17 3.092,18 4.73,19 3.032,20 4.03,21 4.229,22 2.92,23 3.309,24 5.014,25 3.162,26 4.249,27 4.574,28 2.64,29 3.212,30 4.98,31 2.972,32 3.91,33 4.219,34 2.332,35 2.85,36 4.779,37 2.633,38 3.562,39 3.847,40 1.206,41 2.274,42 4.554,43 1.993,44 2.831,45 3.305,46 0.12,47 1.283,48 2.944,49 0.81,56 0.038,57 0.337,58 6.225,59 2.172,60 6.857,61 3.278,62 0.109,63 0.517,64 10.376,65 3.229,66 9.807,67 5.082,68 0.087,69 0.631,70 12.979,71 4.992,72 16.726,73 7.238,74 0.173,75 0.624,76 15.341,77 5.48,78 22.147,79 8.287,80 0.099,81 0.428,82 11.021,83 3.77,84 18.978,85 5.645,86 0.167,87 0.244,88 8.057,89 2.255,90 28.914,91 3.294,92 0.037,93 0.092,94 3.22,95 1,96 5.511,97 1.653,104 18,105 16,106 0.285,107 0.556,108 0.622,109 0.689,110 0.689,111 0.689,112 2.524,113 1.035,114 0.56,115 0.38,116 0.13,121 36,126 3,144 4,146 2,176 2,185 2,187 3,189 2,197 1,200 1,203 1,211 1,213 1,216 1,281 87,282 6.61,283 6.61,284 6.61,285 6.61,286 6.61,287 5.872,288 8.97,289 3.815,290 6.778,291 5.424,292 5.424,293 5.424,294 5.424,295 5.424,296 4.353,297 13.255,298 1.81,299 5.731,300 3.273,301 1.971,302 1.651,303 1.331,304 1.331,305 1.331,306 3.098,312 1,313 89,314 2.646,318 34.705,325 0.661,326 6.718,329 1,330 0.83,331 0.83,332 0.9,333 1,334 1,335 1,336 0.94,337 23.5,338 47,339 4.448,340 3.656,341 7.115,342 4.238,343 3.318,344 3.854,345 1.2,346 11.685,347 3.056,348 3.722,349 2.615,350 5.148,351 3.33,352 2.375,353 3.037,355 6.407,356 2.257,357 2.885,358 1.691,359 4.406,360 2.479,361 1.517,362 2.014,364 4.186,365 1.453,366 2.57,367 1.146,368 3.477,369 2.103,370 1.112,371 1.6,373 2.525,374 1.101,375 0.935,376 -0.057,377 2.73,378 0.529,379 -0.402,380 -0.507,382 -0.893,383 -0.368,384 0.641,385 -0.6,386 2,387 0.204,388 -0.77,389 -1,391 -2.154,392 -0.746,394 -0.6,395 2,396 -0.1,397 -1,398 -1,400 -3,401 -0.9,403 -0.638,404 2,405 -0.1,406 -1,407 -1.008,409 -3,410 -0.9,411 -0.073,412 -1.178,413 1.6,414 -0.424,415 -1.354,416 -1.797,417 -0.4,418 -3.401,419 -1.269,420 -0.5,421 -1.576,422 1.074,423 -0.86,424 -1.796,425 -2.193,426 -0.4,427 -5.399,428 -1.685,429 -0.628,430 -2,431 0.45,432 -1,433 -2,434 -3,435 -0.4,436 -6.955,437 -2,474 5.233,475 0.476,476 0.501,477 0.046,478 13.25,479 1.205,480 6.5,481 0.591,482 6.75,483 0.614,484 6.531,485 0.594,486 13.067,487 0.523,488 8.092,489 0.736,490 2.853,491 0.259,492 2.146,493 0.195,494 0.35,495 0.076,496 0.191,501 1.098,502 1.69,503 1.048,504 1.32,505 1.092,506 1.197,507 1.15,508 0.737,509 0.883,510 0.638,511 0.455,512 0.677,513 0.954,514 1.494,515 1.357,516 1.53,517 0.981,518 1.5,519 0.429,520 0.882,521 0.794,522 0.93,523 0.583,524 0.913,525 0.856,526 0.962,527 0.919,528 1.045,529 0.836,530 0.998,531 2.786,532 0.853,533 1.617,534 0.962,535 3.324,536 1.159,549 4,551 1.556,552 0.875,553 0.6,554 0.188,559 509,560 1120,561 1.782,562 56,564 13,567 1,572 1.43,573 1.59,574 2.247,575 -0.206,582 34.264,583 1.371,584 2.672,585 2.992,586 3.312,587 3.312,588 3.312,589 1.495,590 2.845,591 3.438,592 2.25,593 123.776,594 5.618,595 831.528,597 1,600 116.096,601 1.823,602 3.3,603 0.364,605 0.097,606 0.067,607 0.067,608 0.031,613 0.626,614 1,615 1,616 1.16,617 36.049,618 -0.048,619 -0.388,620 0.018,621 -0.142,622 -0.182,623 -0.075,624 -0.138,625 0.474,626 0.16,627 0.36,628 0.162,629 0.32,630 -0.125,631 -0.354,632 -0.381,633 -0.41,634 -0.13,635 -0.426,636 0.177,637 -0.027,638 0.093,639 -0.012,640 0.04,641 0.022,642 0.03,643 -0.108,644 0.003,645 -0.136,646 0.125,647 -0.074,648 -0.53,649 -0.132,650 -0.567,651 -0.158,652 -0.658,653 -0.353,654 0.289,655 0.476,656 0.77,657 0.652,658 0.3,659 0.756,666 1.337,667 3.166,668 0.545,669 4.099,670 0.987,671 1.136,672 -1.787,673 3.193,674 0.616,675 2.485,676 2.833,677 2.833,678 2.89,679 2.996,680 2.485,681 2.303,685 2.973,686 0.566,687 152.24,688 2.485,689 4.007,690 4.779,691 5.652,692 6.457,693 7.322,694 8.139,695 8.998,696 9.822,697 10.676,698 4,712 1,715 4,720 2,722 6,738 1,741 25,743 6,744 1,745 11,747 25,748 9,749 6,750 2,751 4,756 1,757 1,772 6,773 3,793 14,794 1,795 1,796 2,802 1,803 1,807 1,808 1,809 1,829 1,859 1,864 3,868 11,875 1,883 1,893 4,895 1,901 6.917,902 5.283,903 2.333,904 1.418,907 1.201,908 1.255,909 0.838,910 1.981,911 5.91,912 2.708,913 3.277,914 3.67,915 4.105,916 4.541,917 4.202,918 4.123,922 0.667,923 13,924 4.034,925 -0.011,926 1.568,927 -0.014,929 7.758,931 7.724,932 -0.004,933 5.872,934 -0.007,935 0.001,936 2.258,937 24.833,938 0.018,941 153.024,942 65.851,945 42.683,948 65.851,949 195.708,951 25.189,953 37.905,954 42.683,955 2.757,957 153.024,959 153.024,960 65.851,961 42.683,964 153.024,965 42.683,969 65.851,972 153.024,973 42.683,974 65.851,977 153.024,978 2.757,979 63.094,981 42.683,982 153.024,983 42.683,984 65.851,986 0.604,987 0.301,988 0.132,989 0.076,990 8,991 4,992 0.04,993 1,995 1,996 2.136,997 57.083,999 6,1000 33.299,1005 8.241,1006 2.644,1007 2.034,1009 42.683,1010 7.313,1015 1.431,1017 42.683,1018 261.559,1019 14,1031 24.673,1032 28.407,1034 0.295,1035 0.575,1036 0.644,1037 0.713,1038 0.713,1039 0.713,1040 3.942,1041 -1,1042 4.89,1043 -3,1044 3.497,1045 3.951,1046 1.072,1047 5.753,1048 3.385,1049 5.205,1050 -1.354,1051 6.515,1052 -3,1053 3.611,1054 3.951,1055 0.931,1056 7.209,1057 3.357,1058 6.549,1059 -1.796,1060 8.269,1061 -3.401,1062 5.263,1063 6.103,1064 1.148,1065 10.093,1066 5,1067 7.926,1068 -2,1069 10.098,1070 -5.399,1071 6.066,1072 6.73,1073 1.241,1074 12.246,1075 5.649,1076 9.33,1078 11.971,1079 -6.955,1080 7.399,1081 8.521,1082 1.386,1083 14.831,1084 6.958,1085 10.753,1087 13.873,1089 8.45,1090 9.447,1091 1.521,1092 17.192,1093 7.875,1094 12.19,1096 15.794,1098 9.687,1099 11.057,1100 1.668,1101 19.692,1102 9.063,1103 3.318,1105 17.728,1107 10.829,1108 12.149,1109 1.818,1110 22.119,1111 10.093,1112 2.375,1113 11.685,1114 19.67,1116 12.037,1117 13.656,1118 1.973,1119 24.591,1120 11.235,1121 1.517,1122 6.407,1123 21.618,1124 3.854,1125 13.213,1126 14.847,1127 2.132,1128 27.039,1129 12.313,1130 1.112,1131 4.186,1132 23.571,1133 3.037,1134 14.413,1135 16.291,1136 2.294,1137 29.502,1138 13.438,1139 -0.402,1140 2.525,1141 25.526,1142 2.014,1143 15.603,1144 17.543,1145 2.46,1146 31.957,1147 14.537,1148 -0.77,1149 -0.893,1150 27.484,1151 1.6,1152 16.801,1153 18.95,1154 2.628,1155 34.417,1156 15.657,1157 -1,1158 -2.154,1159 29.443,1160 -0.507,1161 17.997,1162 20.24,1163 2.798,1164 36.874,1165 16.765,1166 612,1167 950,1168 6.356,1169 15.409,1170 17.067,1171 16.427,1172 17.02,1173 16.737,1174 16.643,1175 21.009,1176 2.4,1177 49.604,1178 15.735,1179 5.077,1180 5.656,1181 6.666,1182 5.238,1183 5.318,1184 6.854,1185 1.6,1186 18.64,1187 5.056,1188 6.48,1189 1.552,1190 1.493,1191 1.547,1192 1.522,1193 1.513,1194 1.91,1195 0.218,1196 4.509,1197 1.43,1198 3.976,1199 4.024,1200 3.907,1201 3.861,1202 6.471,1203 3.867,1204 3.596,1205 3.667,1206 3.458,1207 3.383,1208 4.669,1209 3.39,1210 2.934,1211 3.009,1212 2.807,1213 2.746,1214 4.248,1215 2.75,1216 2.874,1217 3.009,1218 2.564,1219 2.618,1220 3.529,1221 2.585,1222 2.874,1223 2.971,1224 2.499,1225 2.618,1226 3.467,1227 2.57,1228 2.731,1229 2.799,1230 2.499,1231 2.601,1232 3.467,1233 2.57,1234 2.181,1235 2.27,1236 1.883,1237 1.608,1238 3.337,1239 1.666,1240 1.559,1241 1.759,1242 1.06,1243 1.166,1244 1.928,1245 1.104,1246 0.404,1247 0.332,1248 0.647,1249 0.385,1250 0.302,1251 4.448,1252 0.35,1253 3.656,1254 0.109,1255 7.115,1256 1.062,1257 4.238,1258 0.278,1259 3.318,1260 3.854,1261 1.2,1262 11.685,1263 3.056,1264 1.928,1265 1.892,1266 2.061,1267 2.086,1268 1.226,1269 2.083,1270 1.564,1271 1.483,1272 1.812,1273 1.783,1274 0.891,1275 1.796,1276 0.934,1277 0.839,1278 1.417,1279 1.239,1280 0.469,1281 1.308,1282 0.934,1283 0.804,1284 1.417,1285 1.239,1286 0.469,1287 1.308,1288 0.883,1289 0.804,1290 1.14,1291 1.14,1292 0.17,1293 1.131,1294 0.747,1295 0.687,1296 1.025,1297 0.938,1298 0.089,1299 0.975,1300 0.025,1302 0.582,1303 0.58,1305 0.593,1308 0.339,1309 0.09,1311 0.187,1312 3.135,1314 4.466,1316 5.979,1318 7.568,1320 9.193,1322 6.193,1327 9.166,1335 0.731,1340 14.16,1341 34.264,1342 66.812,1343 74.812,1344 82.812,1345 82.812,1346 82.812,1347 13.879,1348 4.71,1349 20.23,1350 20.23,1351 6,1352 11.237,1353 2.807,1354 2,1355 19.063,1356 19,1357 15,1358 0.551,1359 93.18,1360 154.19,1361 219.12,1362 383,1364 8.483,1365 0.771,1366 0.66,1367 8.483,1368 7.257,1369 4.999,1370 0.454,1371 0.345,1372 3.721,1373 4.787,1374 3.498,1375 3.034,1376 4.999,1377 3.795,1378 5.335,1379 0.333,1380 0.238,1381 5.335,1382 3.8,1383 3.161,1384 0.198,1385 0.107,1386 3.161,1387 1.712,1388 2.221,1389 0.131,1390 0.057,1391 2.221,1392 0.972,1393 1.763,1394 0.093,1395 0.033,1396 1.763,1397 0.624,1398 0.775,1399 31.466,1400 0.397,1401 10.79,1402 1.766,1403 54,1404 122.483,1405 58.213,1406 122.697,1407 162.92,1408 112,1409 59,1410 119.002,1411 63.992,1412 124.821,1413 173.17,1414 114,1415 6.012}
{0 CHEMBL422695,1 1.417,2 5.286,3 2.126,4 4.519,5 50.067,6 7.925,7 0.375,8 3.334,9 3.405,10 2.971,11 2.895,12 4.422,13 2.902,14 3.919,15 4.039,16 3.382,17 3.321,18 5.007,19 3.317,20 4.048,21 4.201,22 3.304,23 3.36,24 5.187,25 3.313,26 4.037,27 4.228,28 2.994,29 3.153,30 5.143,31 3.076,32 3.694,33 3.899,34 2.72,35 2.734,36 4.799,37 2.673,38 3.38,39 3.588,40 2.227,41 2.272,42 4.515,43 2.196,44 2.911,45 3.142,46 1.156,47 1.63,48 3.854,49 1.52,50 2.013,51 2.298,52 0.361,53 1.161,54 2.442,55 0.898,56 0.041,57 0.301,58 4.374,59 2.484,60 4.432,61 2.739,62 0.271,63 0.522,64 9.738,65 4.312,66 18.651,67 4.873,68 0.175,69 0.603,70 11.244,71 5.064,72 18.95,73 6.036,74 0.294,75 0.569,76 12.746,77 4.776,78 38.83,79 5.719,80 0.264,81 0.394,82 9.336,83 3.327,84 26.191,85 4.196,86 0.254,87 0.274,88 7.141,89 2.289,90 21.876,91 2.821,92 0.212,93 0.154,94 5.126,95 1.251,96 19.55,97 1.324,98 0.017,99 0.071,100 1.642,101 0.65,102 2.204,103 0.985,104 5,105 24,106 0.289,107 0.663,108 0.809,109 0.843,110 0.86,111 0.86,112 2.738,113 0.885,114 -3.08,115 -3.08,116 -2.96,121 45.8,122 1,123 1,124 1,128 1,144 2,145 2,146 2,159 1,176 6,179 1,180 4,187 7,192 8,200 6,206 4,214 2,218 1,219 3,231 1,232 2,281 120,282 9.447,283 9.447,284 9.447,285 9.447,286 9.447,287 8.656,288 13.524,289 5.337,290 9.567,291 7.883,292 7.883,293 7.883,294 7.883,295 7.883,296 6.468,297 15.527,298 2.533,299 8.056,300 3.168,301 1.333,302 0.615,303 0.448,304 0.365,305 0.365,306 3.403,311 1,312 1,313 164,314 1.732,317 41.99,318 21.368,321 70.289,324 48.921,325 0.898,326 16.387,329 1,330 0.67,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.83,337 31,338 74,339 4.528,340 3.783,341 6.695,342 4.212,343 3.211,344 4.177,345 1.392,346 10.795,347 3.221,348 4.03,349 3.291,350 6.114,351 3.72,352 2.76,353 3.396,354 1.277,355 8.899,356 2.631,357 3.304,358 2.594,359 5.332,360 2.98,361 1.977,362 2.51,363 0.532,364 6.16,365 1.975,366 3.045,367 2.055,368 4.86,369 2.77,370 1.784,371 2.175,373 5.34,374 1.758,375 2.484,376 1.902,377 4.221,378 2.206,379 1.237,380 1.426,382 3.533,383 1.183,384 2.2,385 1.689,386 3.455,387 2.097,388 1.099,389 1.18,391 2.442,392 1.096,393 1.719,394 1.165,395 3.135,396 1.354,397 0.36,398 0.455,400 0.919,401 0.352,402 0.933,403 0.242,404 2.683,405 0.717,406 -0.288,407 -0.332,409 -0.728,410 -0.288,411 0.713,412 -0.348,413 2.343,414 0.298,415 -0.707,416 -0.94,418 -2.018,419 -0.703,420 0.274,421 -0.628,422 2.126,423 0.044,424 -0.953,425 -1.109,427 -2.553,428 -0.949,429 -0.039,430 -0.781,431 1.541,432 -0.298,433 -1.35,434 -1.653,436 -3.476,437 -1.418,438 -0.437,439 -1.184,440 1.472,441 -0.707,442 -1.599,443 -1.78,445 -4.86,446 -1.426,447 -0.5,448 -1.233,449 1.29,450 -0.76,451 -1.736,452 -1.909,454 -5.022,455 -1.672,456 -0.655,457 -1.588,458 1.184,459 -0.794,460 -1.796,461 -2.186,462 -0.532,463 -5.853,464 -1.812,465 -0.722,466 -1.759,467 1.049,468 -1,469 -2,470 -2.41,471 -1.277,472 -6.614,473 -1.947,474 6.5,475 0.464,476 0.418,477 0.03,478 17.75,479 1.268,480 8.5,481 0.607,482 9.25,483 0.661,484 9.173,485 0.655,486 15.1,487 0.629,488 9.728,489 0.695,490 3.323,491 0.237,492 3.431,493 0.245,494 0.128,496 0.462,501 0.723,502 1.115,503 0.665,504 1.083,505 0.559,506 0.904,507 0.902,508 0.822,509 0.767,510 0.808,511 0.634,512 0.763,513 0.834,514 1.193,515 0.963,516 1.19,517 0.963,518 1.126,519 1.169,520 1.072,521 1.192,522 1.081,523 1.665,524 1.13,525 0.899,526 1.067,527 0.949,528 1.064,529 0.895,530 1.029,531 1.169,532 1.072,533 1.192,534 1.081,535 0.819,536 1.13,537 2.472,538 0.361,539 1.811,540 0.395,541 1.99,542 0.821,543 0.08,544 1.373,545 1.159,546 1.449,547 0.113,548 1.562,549 3,551 2,552 1.458,553 0.634,554 0.389,555 0.117,556 0.028,559 1294,560 3646,561 2.155,562 41.7,563 5,564 2,565 2,568 1,572 1.513,573 2,574 2.495,575 -0.766,579 1,582 34.011,583 1.417,584 3.252,585 3.97,586 4.137,587 4.22,588 4.22,589 1.95,590 3.664,591 3.786,592 2.503,593 227.8,594 6.324,595 1707.59,597 1,600 110.039,601 1.449,602 3.733,603 0.188,605 0.083,606 0.069,607 0.045,608 0.039,609 0.023,610 0.028,613 0.476,614 1,615 1,616 0.673,617 50.928,618 -0.027,619 -0.078,620 0.071,621 -0.061,622 -0.035,623 0.013,624 0.033,625 0.182,626 0.099,627 0.182,628 0.006,629 0.163,630 -0.059,631 -0.216,632 -0.093,633 -0.211,634 -0.018,635 -0.171,636 -0.179,637 -0.129,638 -0.213,639 -0.137,640 -0.245,641 -0.175,642 0.131,643 -0.139,644 0.079,645 -0.13,646 0.068,647 -0.057,648 0.094,649 -0.166,650 -0.098,651 -0.178,652 0.184,653 -0.187,654 -0.687,655 0.524,656 -0.566,657 0.467,658 -0.486,659 0.08,660 0.172,661 -0.472,662 -0.182,663 -0.483,664 0.13,665 -0.438,666 1.446,667 4.7,668 0.857,669 5.939,670 1.017,671 1.113,672 1.848,673 3.414,674 0.674,675 2.833,676 3.219,677 3.555,678 3.85,679 4.007,680 4.111,681 4.248,682 4.29,683 3.892,684 3.584,685 3.322,686 0.657,687 190.21,688 2.833,689 4.394,690 5.283,691 6.192,692 7.098,693 8.01,694 8.919,695 9.832,696 10.743,697 11.656,715 2,720 4,722 6,727 1,739 2,741 24,743 7,744 1,745 16,747 26,748 11,749 6,750 4,751 2,752 1,756 3,757 6,763 1,767 1,768 1,770 1,772 7,773 4,774 1,777 1,782 1,786 1,790 1,793 10,794 3,796 3,808 0.333,809 3,828 2,829 1,832 2,835 1,859 1,864 1,868 14,876 2,878 2,880 1,893 12.5,896 1,898 2,901 7,902 4.75,903 2.944,904 1.521,907 1.403,908 1.226,909 0.992,910 1.547,911 7.624,912 3.045,913 3.651,914 4.252,915 4.795,916 5.296,917 5.567,918 5.823,919 5.942,920 5.529,921 5.195,922 0.75,923 21,924 5.198,925 0.002,926 2.321,927 0.026,929 7.833,931 9.94,932 0.001,933 8.607,936 2.333,937 32.667,938 0.006,941 117.711,942 58.954,945 47.145,948 58.954,949 164.856,951 8.825,952 9.185,953 18.952,954 30.278,955 38.858,956 23.542,957 94.169,959 117.711,960 58.954,961 47.145,964 117.711,965 47.145,968 18.01,969 40.944,972 117.711,973 47.145,974 58.954,977 117.711,978 31.176,979 27.778,981 47.145,982 117.711,983 47.145,984 58.954,986 0.603,987 0.369,988 0.198,989 0.098,990 15,991 6,994 2,995 1.333,996 2.632,997 98.102,998 0.333,999 12,1000 53.303,1005 8.153,1006 2.656,1007 1.067,1009 47.145,1010 3.739,1015 3.366,1018 223.81,1019 20,1024 11.7,1028 0.221,1031 24.4,1032 26.704,1034 0.309,1035 0.709,1036 0.866,1037 0.902,1038 0.92,1039 0.92,1040 4.324,1041 -0.288,1042 5.303,1043 0.919,1044 3.892,1045 4.331,1046 2.164,1047 6.176,1048 3.859,1049 5.538,1050 -0.707,1051 6.905,1052 -0.728,1053 3.611,1054 4.29,1056 7.149,1057 3.578,1058 6.869,1059 -0.953,1060 8.603,1061 -2.018,1062 5.549,1063 6.518,1064 2.638,1065 10.28,1066 5.493,1067 8.238,1068 -1.35,1069 10.355,1070 -2.553,1071 6.089,1072 7.278,1074 12.066,1075 6.039,1076 9.64,1077 -1.599,1078 12.141,1079 -3.476,1080 7.522,1081 9.03,1082 3.189,1083 14.703,1084 7.459,1085 11.064,1086 -1.736,1087 13.949,1088 -4.86,1089 8.417,1090 10.134,1092 16.823,1093 8.363,1094 12.505,1095 -1.796,1096 15.774,1097 -5.022,1098 9.666,1099 11.704,1100 3.768,1101 19.287,1102 9.608,1103 3.211,1104 -2,1105 17.611,1106 -5.853,1107 10.71,1108 12.967,1110 21.549,1111 10.663,1112 2.76,1113 10.795,1114 19.458,1115 -6.614,1116 11.893,1117 14.458,1118 4.364,1119 23.95,1120 11.848,1121 1.977,1122 8.899,1123 21.312,1124 4.177,1125 12.999,1126 15.8,1128 26.272,1129 12.964,1130 1.784,1131 6.16,1132 23.172,1133 3.396,1134 14.16,1135 17.256,1136 4.971,1137 28.652,1138 14.131,1139 1.237,1140 5.34,1141 25.038,1142 2.51,1143 15.293,1144 18.638,1146 31.002,1147 15.274,1148 1.099,1149 3.533,1150 26.908,1151 2.175,1152 16.449,1153 20.078,1154 5.586,1155 33.376,1156 16.437,1157 0.36,1158 2.442,1159 28.782,1160 1.426,1161 17.595,1162 21.481,1164 35.738,1165 17.593,1166 1284,1167 2220,1168 10.751,1169 16.171,1170 25.118,1171 26.658,1172 25.623,1173 24.855,1174 24.858,1175 30.638,1176 6.401,1177 76.175,1178 24.429,1179 5.402,1180 5.783,1181 6.194,1182 5.252,1183 5.211,1184 7.177,1185 2.783,1186 17.757,1187 5.221,1188 5.618,1189 1.57,1190 1.666,1191 1.601,1192 1.553,1193 1.554,1194 1.915,1195 0.4,1196 4.761,1197 1.527,1198 4.051,1199 4.062,1200 4.009,1201 3.972,1202 7.426,1203 3.978,1204 3.629,1205 3.648,1206 3.55,1207 3.449,1208 4.992,1209 3.465,1210 3.18,1211 3.24,1212 3.01,1213 2.949,1214 4.345,1215 2.958,1216 2.99,1217 3.021,1218 2.893,1219 2.839,1220 3.968,1221 2.842,1222 2.812,1223 2.898,1224 2.588,1225 2.584,1226 3.904,1227 2.567,1228 2.574,1229 2.618,1230 2.408,1231 2.299,1232 3.384,1233 2.321,1234 2.202,1235 2.268,1236 2.008,1237 2.045,1238 3.237,1239 2.029,1240 1.71,1241 1.857,1242 1.612,1243 1.28,1244 2.716,1245 1.251,1246 0.283,1247 0.236,1248 0.418,1249 0.263,1250 0.201,1251 4.528,1252 0.261,1253 3.783,1254 0.087,1255 6.695,1256 0.675,1257 4.212,1258 0.201,1259 3.211,1260 4.177,1261 1.392,1262 10.795,1263 3.221,1264 1.862,1265 1.852,1266 1.941,1267 1.936,1268 1.206,1269 1.934,1270 1.644,1271 1.599,1272 1.86,1273 1.808,1274 1.061,1275 1.828,1276 1.156,1277 1.122,1278 1.439,1279 1.517,1280 0.579,1281 1.484,1282 0.981,1283 0.967,1284 1.326,1285 1.197,1286 0.479,1287 1.246,1288 0.906,1289 0.828,1290 1.067,1291 1.165,1292 0.166,1293 1.12,1294 0.623,1295 0.541,1296 0.947,1297 0.852,1298 0.046,1299 0.896,1300 0.072,1301 0.032,1302 0.436,1303 0.433,1305 0.408,1308 0.239,1309 0.198,1311 0.239,1312 3.497,1314 4.86,1315 3.045,1316 6.412,1317 5.416,1318 8.051,1319 7.506,1320 9.739,1322 1.954,1328 1.09,1330 10.493,1332 0.104,1340 15.778,1341 34.011,1342 78.039,1343 95.284,1344 99.284,1345 101.284,1346 101.284,1347 17.655,1348 6.221,1349 35.53,1350 35.53,1351 16,1352 12.169,1353 3,1354 2.322,1355 18.097,1356 30,1357 21,1358 0.348,1359 94.385,1360 166.69,1361 222.06,1362 3158,1364 9.707,1365 0.693,1366 0.562,1367 9.707,1368 7.871,1369 6.754,1370 0.422,1371 0.295,1372 4.641,1373 6.44,1374 4.513,1375 3.704,1376 6.754,1377 4.722,1378 6.419,1379 0.267,1380 0.16,1381 6.419,1382 3.832,1383 5.85,1384 0.172,1385 0.083,1386 5.85,1387 2.838,1388 4.869,1389 0.106,1390 0.045,1391 4.869,1392 2.07,1393 3.648,1394 0.068,1395 0.024,1396 3.648,1397 1.318,1398 0.498,1399 42.918,1400 0.305,1401 13.614,1402 1.101,1403 80,1404 259.207,1405 89.41,1406 237.988,1407 324.16,1408 224,1409 98,1410 235.545,1411 107.745,1412 235.937,1413 352.15,1414 221,1415 6.42}
{0 CHEMBL422860,1 1.496,2 7.118,3 1.921,4 3.691,5 66.315,6 6.695,7 0.333,8 3.634,9 3.767,10 3.1,11 3.11,12 4.688,13 3.081,14 4.19,15 4.39,16 3.45,17 3.509,18 5.23,19 3.448,20 4.428,21 4.636,22 3.495,23 3.663,24 5.437,25 3.57,26 4.534,27 4.782,28 3.29,29 3.55,30 5.546,31 3.433,32 4.261,33 4.516,34 3.122,35 3.331,36 5.263,37 3.213,38 4.087,39 4.328,40 2.867,41 3.133,42 5.031,43 3.014,44 3.946,45 4.214,46 2.781,47 2.972,48 4.987,49 2.845,50 3.79,51 4.03,52 2.524,53 2.819,54 4.851,55 2.705,56 0.024,57 0.495,58 8.189,59 3.19,60 7.374,61 4.518,62 0.315,63 0.766,64 15.161,65 5.292,66 24.077,67 7.709,68 0.107,69 0.913,70 19.031,71 7.053,72 22.881,73 10.048,74 0.348,75 0.874,76 22.376,77 6.665,78 52.922,79 9.798,80 0.218,81 0.701,82 16.659,83 5.188,84 31.751,85 7.845,86 0.194,87 0.566,88 14.096,89 4.341,90 24.677,91 6.365,92 0.199,93 0.496,94 12.21,95 3.78,96 29.788,97 5.696,98 0.188,99 0.434,100 10.561,101 2.729,102 28.493,103 4.284,104 20,105 25,106 0.281,107 0.612,108 0.78,109 0.827,110 0.827,111 0.827,112 2.908,113 0.975,114 -3.08,115 -3.08,116 -2.97,121 37.1,123 3,126 2,129 1,144 3,145 2,146 1,161 1,165 1,166 1,167 1,176 7,179 3,180 2,185 2,187 9,189 2,192 2,197 3,200 8,203 3,206 5,211 2,214 3,216 2,219 6,221 1,222 1,224 1,227 1,229 1,232 3,244 4,246 2,247 2,256 2,281 278,282 11.069,283 11.069,284 11.069,285 11.069,286 11.069,287 10.239,288 15.633,289 6.45,290 11.305,291 8.846,292 8.846,293 8.846,294 8.846,295 8.846,296 7.442,297 18.845,298 3.039,299 9.203,300 3.633,301 1.875,302 0.979,303 0.729,304 0.729,305 0.729,306 3.557,311 1,312 1,313 248,314 3,318 81.164,322 69.473,325 1.183,326 16.435,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 37,338 121,339 4.353,340 3.763,341 6.479,342 4.036,343 3.047,344 3.964,345 2.208,346 10.069,347 3.014,348 3.909,349 3.288,350 5.806,351 3.618,352 2.69,353 3.137,354 0.655,355 7.823,356 2.474,357 3.494,358 2.587,359 5.196,360 3.174,361 2.219,362 2.736,363 0.522,364 6.298,365 2.114,366 3.164,367 2.275,368 5.027,369 2.94,370 1.959,371 2.298,372 0.13,373 5.682,374 1.917,375 2.589,376 1.978,377 4.055,378 2.421,379 1.429,380 1.603,382 3.482,383 1.416,384 2.326,385 1.5,386 3.534,387 2.016,388 1.061,389 1.242,391 2.433,392 0.997,393 2.171,394 1.011,395 3.352,396 1.891,397 0.902,398 1.098,400 2.095,401 0.887,402 1.321,403 0.75,404 2.582,405 1.007,406 0.04,407 0.047,409 0.096,410 0.038,411 0.791,412 0.125,413 2.362,414 0.574,415 -0.4,416 -0.45,418 -0.947,419 -0.386,420 0.672,421 -0.396,422 2.269,423 0.315,424 -0.679,425 -0.831,427 -1.827,428 -0.671,429 0.457,430 -0.559,431 2,432 0.071,433 -0.919,434 -1,436 -2,437 -0.9,439 -0.6,440 1.514,441 -0.1,442 -1,443 -1.181,445 -2.55,446 -0.903,447 -0.186,448 -0.875,449 1.324,450 -0.374,451 -1.354,452 -1.533,454 -3.544,455 -1.321,456 -0.304,457 -1.138,458 1.26,459 -0.477,460 -1.447,461 -1.786,463 -3.97,464 -1.414,465 -0.487,466 -1.257,467 1.044,468 -0.665,469 -1.627,470 -1.857,471 -0.4,472 -4.695,473 -1.51,474 7.967,475 0.469,476 0.511,477 0.03,478 18.75,479 1.103,480 8,481 0.471,482 10.75,483 0.632,484 13.277,485 0.781,486 19.633,487 0.561,488 12.431,489 0.731,490 3.64,491 0.214,492 4.435,493 0.261,494 0.218,496 0.364,501 0.83,502 1.415,503 0.898,504 1.23,505 0.734,506 1.087,507 0.594,508 0.86,509 0.841,510 0.879,511 0.462,512 0.883,513 0.869,514 1.27,515 0.979,516 1.28,517 0.705,518 1.17,519 1.571,520 0.974,521 1.141,522 0.934,523 1.548,524 0.976,525 0.977,526 1.041,527 0.985,528 1.042,529 1,530 1.015,531 1.451,532 1.073,533 1.162,534 1.057,535 1.119,536 1.074,537 0.873,538 0.964,539 0.897,540 0.974,541 0.998,542 0.953,543 1.756,544 1.064,545 1.425,546 0.991,547 2.353,548 1.123,549 4,551 2.222,552 1,553 1.067,554 0.375,555 0.344,556 0.247,557 0.074,558 0.031,559 2140,560 5200,561 1.96,562 51.4,563 4,564 10,567 2,569 2,572 1.57,573 1.789,574 2.871,575 0.411,577 1,578 1,579 1,582 52.361,583 1.496,584 3.255,585 4.15,586 4.4,587 4.4,588 4.4,589 2.286,590 3.97,591 4.061,592 2.977,593 404.86,594 6.865,595 3638.45,597 1,599 1,600 179.525,601 1.549,602 3.989,603 0.222,605 0.089,606 0.04,607 0.056,608 0.023,609 0.029,610 0.022,611 0.009,612 0.016,613 0.507,614 0.83,615 1,616 1.453,617 69.941,618 -0.049,619 -0.116,620 0.038,621 -0.052,622 -0.089,623 0.003,624 0.306,625 0.296,626 0.122,627 0.18,628 0.191,629 0.137,630 -0.017,631 -0.213,632 -0.038,633 -0.202,634 0.045,635 -0.133,636 -0.229,637 -0.06,638 -0.123,639 0.007,640 -0.182,641 -0.039,642 0.015,643 -0.067,644 -0.009,645 -0.084,646 0.001,647 -0.054,648 -0.197,649 -0.139,650 -0.159,651 -0.097,652 -0.171,653 -0.123,654 0.137,655 -0.034,656 0.085,657 -0.039,658 0.151,659 -0.003,660 -0.375,661 -0.054,662 -0.391,663 -0.1,664 -0.326,665 -0.228,666 2.033,667 4.434,668 0.588,669 10.844,670 0.998,671 1.135,672 1.855,673 3.44,674 0.629,675 2.944,676 3.258,677 3.466,678 3.638,679 3.871,680 3.829,681 3.912,682 3.932,683 3.85,684 3.367,685 4.449,686 0.591,687 234.33,688 2.944,689 4.466,690 5.293,691 6.155,692 7.006,693 7.871,694 8.73,695 9.597,696 10.461,697 11.329,698 5.7,699 1,705 1,715 3,720 3,722 6,737 1,741 35,743 7,744 1,745 18,747 36,748 13,749 6,750 3,751 3,756 2,757 3,767 4,770 4,772 7,773 6,777 1,782 1,786 1,790 1,793 18,794 4,795 2,796 4,802 2,808 0.5,809 2,829 2,833 1,851 1,859 1,864 2,868 17,869 1,876 3,878 1,880 1,881 1,893 5.7,896 1,898 1,901 9.5,902 6.7,903 3.75,904 2.068,907 1.318,908 1.217,909 0.936,910 3.574,911 7.386,912 3.135,913 3.651,914 4.115,915 4.568,916 5.075,917 5.184,918 5.437,919 5.554,920 5.504,921 4.89,922 0.8,923 25,924 6.288,926 2.595,927 0.026,929 7.794,931 12.069,933 9.736,936 2.294,937 39,938 0.002,941 188.338,942 71.202,943 36.022,945 36.145,948 71.202,949 224.482,950 36.022,951 16.793,952 43.625,953 28.429,954 25.145,955 22.614,956 6.763,957 188.338,959 188.338,960 107.224,961 36.145,964 164.795,965 59.687,968 43.625,969 63.599,972 188.338,973 72.166,974 71.202,977 188.338,978 25.981,979 48.346,981 69.042,982 188.338,983 72.166,984 71.202,986 0.588,987 0.336,988 0.157,989 0.089,990 12,991 6,992 0.056,993 2,994 1,995 1.2,996 2.868,997 114.233,998 0.2,999 10,1000 67.487,1005 12.242,1006 4.963,1007 2.722,1009 72.166,1010 5.728,1015 2.952,1017 32.897,1018 331.706,1019 22,1024 11.434,1028 -0.366,1031 34.927,1032 39.737,1034 0.292,1035 0.635,1036 0.809,1037 0.858,1038 0.858,1039 0.858,1040 4.376,1041 0.04,1042 5.293,1043 2.095,1044 3.932,1045 4.331,1046 2.372,1047 6.08,1048 3.86,1049 5.558,1050 -0.4,1051 6.851,1052 0.096,1053 3.611,1054 4.182,1055 1.847,1056 6.957,1057 3.489,1058 6.851,1059 -0.679,1060 8.507,1061 -0.947,1062 5.509,1063 6.401,1064 3.532,1065 10.008,1066 5.372,1067 8.175,1068 -0.919,1069 10.218,1070 -1.827,1071 5.943,1072 7.009,1073 3.656,1074 11.676,1075 5.763,1076 9.53,1077 -1,1078 11.961,1079 -2,1080 7.366,1081 8.78,1082 4.956,1083 14.26,1084 7.179,1085 10.906,1086 -1.354,1087 13.728,1088 -2.55,1089 8.145,1090 9.739,1091 5.37,1092 16.276,1093 7.93,1094 12.297,1095 -1.447,1096 15.511,1097 -3.544,1098 9.374,1099 11.321,1100 6.458,1101 18.687,1102 9.156,1103 3.047,1104 -1.627,1105 17.308,1106 -3.97,1107 10.319,1108 12.463,1109 7.028,1110 20.863,1111 10.084,1112 2.69,1113 10.069,1114 19.115,1115 -4.695,1116 11.468,1117 13.952,1118 7.994,1119 23.208,1120 11.23,1121 2.219,1122 7.823,1123 20.93,1124 3.964,1125 12.492,1126 15.195,1127 8.654,1128 25.456,1129 12.245,1130 1.959,1131 6.298,1132 22.753,1133 3.137,1134 13.609,1135 16.634,1136 9.549,1137 27.775,1138 13.36,1139 1.429,1140 5.682,1141 24.581,1142 2.736,1143 14.673,1144 17.934,1145 10.263,1146 30.056,1147 14.418,1148 1.061,1149 3.482,1150 26.415,1151 2.298,1152 15.779,1153 19.346,1154 11.116,1155 32.367,1156 15.521,1157 0.902,1158 2.433,1159 28.253,1160 1.603,1161 16.862,1162 20.678,1163 11.862,1164 34.663,1165 16.6,1166 2239,1167 3570,1168 11.444,1169 22.012,1170 27.1,1171 28.011,1172 28.01,1173 26.739,1174 26.696,1175 32.252,1176 7.029,1177 75.956,1178 25.716,1179 5.298,1180 5.763,1181 6.024,1182 5.082,1183 5.047,1184 6.964,1185 3.912,1186 16.753,1187 5.014,1188 9.606,1189 1.506,1190 1.556,1191 1.556,1192 1.486,1193 1.483,1194 1.792,1195 0.39,1196 4.22,1197 1.429,1198 4.014,1199 4.044,1200 3.951,1201 3.945,1202 7.433,1203 3.942,1204 3.653,1205 3.709,1206 3.567,1207 3.429,1208 5.029,1209 3.44,1210 3.504,1211 3.569,1212 3.365,1213 3.311,1214 4.746,1215 3.326,1216 3.217,1217 3.311,1218 3.046,1219 3.032,1220 4.28,1221 3.024,1222 3.01,1223 3.034,1224 2.865,1225 2.726,1226 4.105,1227 2.753,1228 2.874,1229 3.009,1230 2.572,1231 2.618,1232 3.808,1233 2.57,1234 2.737,1235 2.823,1236 2.537,1237 2.571,1238 3.571,1239 2.558,1240 2.722,1241 2.802,1242 2.499,1243 2.469,1244 3.467,1245 2.489,1246 0.242,1247 0.209,1248 0.36,1249 0.224,1250 0.169,1251 4.353,1252 0.22,1253 3.763,1254 0.123,1255 6.479,1256 0.559,1257 4.036,1258 0.167,1259 3.047,1260 3.964,1261 2.208,1262 10.069,1263 3.014,1264 1.992,1265 1.966,1266 2.119,1267 2.088,1268 1.42,1269 2.099,1270 1.567,1271 1.516,1272 1.794,1273 1.839,1274 0.931,1275 1.822,1276 1.484,1277 1.408,1278 1.735,1279 1.679,1280 0.832,1281 1.701,1282 1.204,1283 1.126,1284 1.495,1285 1.464,1286 0.719,1287 1.483,1288 0.934,1289 0.852,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.882,1295 0.804,1296 1.154,1297 1.214,1298 0.281,1299 1.173,1300 0.751,1301 0.677,1302 1.073,1303 1.021,1304 0.116,1305 1.033,1306 0.663,1307 0.6,1308 0.919,1309 0.95,1311 0.991,1312 3.611,1314 4.92,1316 6.428,1318 8.028,1320 9.676,1322 3.318,1326 6.055,1328 3.189,1330 5.222,1332 0.066,1333 1.402,1340 20.687,1341 52.361,1342 113.909,1343 145.26,1344 154.015,1345 154.015,1346 154.015,1347 26.848,1348 6.068,1349 55.56,1350 55.56,1351 12,1352 11.874,1353 3,1354 2.322,1355 28.433,1356 46,1357 38,1358 0.325,1359 130.556,1360 226.86,1361 310.316,1362 2691,1364 12.414,1365 0.73,1366 0.604,1367 12.414,1368 10.272,1369 8.075,1370 0.449,1371 0.325,1372 5.762,1373 7.74,1374 5.553,1375 4.665,1376 8.075,1377 5.852,1378 7.468,1379 0.299,1380 0.185,1381 7.468,1382 4.622,1383 5.965,1384 0.192,1385 0.098,1386 5.965,1387 3.048,1388 4.343,1389 0.117,1390 0.056,1391 4.343,1392 2.069,1393 3.627,1394 0.077,1395 0.032,1396 3.627,1397 1.51,1398 0.491,1399 50.879,1400 0.296,1401 16.975,1402 0.934,1403 86,1404 248.428,1405 95.529,1406 237.055,1407 318.29,1408 220,1409 99,1410 231.656,1411 107.978,1412 235.374,1413 340.74,1414 218,1415 5.83}
{0 CHEMBL422971,1 1.404,2 8.962,3 3.539,4 12.522,5 106.887,6 7.308,7 0.552,8 3.942,9 4.066,10 3.505,11 3.542,12 5.024,13 3.509,14 4.448,15 4.616,16 3.818,17 3.937,18 5.466,19 3.879,20 4.672,21 4.871,22 3.761,23 4.02,24 5.625,25 3.904,26 4.772,27 5.027,28 3.738,29 3.974,30 5.691,31 3.86,32 4.627,33 4.812,34 3.865,35 4.012,36 5.659,37 3.93,38 4.845,39 5.079,40 3.911,41 4.078,42 5.897,43 3.985,44 4.727,45 4.943,46 3.745,47 4.042,48 5.7,49 3.92,50 4.726,51 4.987,52 3.6,53 3.946,54 5.64,55 3.804,56 0.04,57 0.668,58 9.518,59 4.118,60 7.625,61 5.527,62 0.123,63 1.092,64 17.016,65 6.751,66 12.867,67 9.198,68 0.092,69 1.269,70 22.253,71 9.597,72 22.016,73 13.15,74 0.323,75 1.344,76 27.502,77 10.205,78 42.577,79 14.101,80 0.093,81 1.23,82 21.021,83 8.849,84 22.793,85 12.007,86 0.447,87 1.488,88 28.968,89 10.529,90 54.362,91 14.33,92 0.18,93 1.321,94 24.448,95 10.039,96 36.331,97 13.702,98 0.219,99 1.314,100 25.795,101 9.853,102 35.452,103 13.892,104 2,105 39,106 0.237,107 0.556,108 0.686,109 0.769,110 0.779,111 0.779,112 3.305,113 0.906,114 -3.29,115 -3.28,116 -3.14,121 46.8,127 3,137 2,138 2,144 7,145 3,153 4,158 1,176 12,180 5,185 4,187 11,192 6,197 2,200 7,205 1,206 6,211 2,214 5,219 5,227 10,232 1,235 4,237 2,239 13,244 2,249 2,251 14,256 2,261 4,264 11,269 1,274 6,277 6,281 976,282 18.016,283 18.016,284 18.016,285 18.016,286 18.016,287 15.578,288 13.2,289 11,290 18.212,291 14.395,292 14.395,293 14.395,294 14.395,295 14.395,296 10.793,297 18.575,298 5.341,299 14.679,300 4.151,301 2.256,302 1.488,303 0.995,304 0.936,305 0.936,306 4.003,310 1,311 1,312 1,313 511,314 2.55,317 146.999,318 176.201,325 1.278,326 15.559,328 1,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 54.5,338 233,339 4.392,340 3.681,341 6.457,342 4.073,343 3.071,344 3.853,345 1.057,346 10,347 3.083,348 4.015,349 2.98,350 5.546,351 3.579,352 2.595,353 3.585,354 0.359,355 7.566,356 2.563,357 3.927,358 2.642,359 5.545,360 3.576,361 2.589,362 3.456,363 0.359,364 7.523,365 2.549,366 3.836,367 2.557,368 5.319,369 3.424,370 2.433,371 3.334,373 6.851,374 2.409,375 3.372,376 2.446,377 5.007,378 3.017,379 2.061,380 2.596,382 5.917,383 1.957,384 3.253,385 2.165,386 4.969,387 2.898,388 1.913,389 2.337,391 5.639,392 1.884,393 2.833,394 1.741,395 3.673,396 2.411,397 1.414,398 1.94,400 3.046,401 1.408,402 2.707,403 1.469,404 3.57,405 2.191,406 1.233,407 1.733,409 2.736,410 1.175,411 2.513,412 1.175,413 3.418,414 2.071,415 1.124,416 1.513,418 2.51,419 1.062,420 2.5,421 1.122,422 3.247,423 2,424 1,425 1.5,427 2.136,428 1,429 2.211,430 1,431 3.19,432 1.584,433 0.618,434 0.927,436 1.372,437 0.594,438 2.118,439 0.618,440 3,441 1.581,442 0.618,443 0.927,445 1.372,446 0.594,447 2.118,448 0.618,449 3,450 1.571,451 0.529,452 0.806,454 1.352,455 0.547,456 1.209,457 0.247,458 2.805,459 0.924,460 -0.05,461 -0.062,463 -0.136,464 -0.049,465 1.195,466 0.09,467 2.772,468 0.845,469 -0.124,470 -0.154,472 -0.359,473 -0.12,474 12.533,475 0.482,476 0.482,477 0.019,478 35,479 1.346,480 18.5,481 0.712,482 16.5,483 0.635,484 18.658,485 0.718,486 26.467,487 0.563,488 25.267,489 0.972,490 7.335,491 0.282,492 5.441,493 0.209,494 0.027,496 0.271,501 0.816,502 1.18,503 0.806,504 0.954,505 0.57,506 0.884,507 1.065,508 1.017,509 1.006,510 0.944,511 0.667,512 0.95,513 0.773,514 1.284,515 1.104,516 1.325,517 0.841,518 1.264,519 1.311,520 0.784,521 0.902,522 0.776,523 1.601,524 0.802,525 0.927,526 1.257,527 0.977,528 1.207,529 0.968,530 1.117,531 1.415,532 0.778,533 0.986,534 0.826,535 1.702,536 0.863,537 1.077,538 1.07,539 1.109,540 1.116,541 1.232,542 1.123,543 0.991,544 0.865,545 1.014,546 0.926,547 0.883,548 0.961,549 4.5,550 0.03,551 1.556,552 1.632,553 0.946,554 0.806,555 0.535,556 0.349,557 0.175,558 0.062,559 8075,560 19147,561 2.172,562 44.7,564 15,565 4,567 2,572 1.698,573 2.108,574 3.151,575 0.175,577 1,582 65.965,583 1.404,584 3.299,585 4.067,586 4.56,587 4.618,588 4.618,589 2.457,590 3.306,591 4.67,592 3.341,593 1085.69,594 8.134,595 13803.7,597 1,599 1,600 261.066,601 1.058,602 4.663,603 0.155,604 0.002,605 0.04,606 0.048,607 0.028,608 0.021,609 0.013,610 0.01,611 0.006,612 0.002,613 0.325,614 0.5,615 1,616 0.362,617 126.096,618 -0.037,619 -0.067,620 0.048,621 0.012,622 -0.024,623 0.035,624 -0.159,625 0.082,626 -0.104,627 0.007,628 -0.048,629 -0.029,630 0.008,631 -0.319,632 -0.18,633 -0.327,634 0.002,635 -0.281,636 -0.016,637 0.158,638 0.127,639 0.207,640 -0.099,641 0.184,642 0.029,643 -0.263,644 -0.047,645 -0.221,646 0.064,647 -0.154,648 0.089,649 0.212,650 0.038,651 0.133,652 0.001,653 0.087,654 -0.112,655 -0.113,656 -0.153,657 -0.121,658 -0.109,659 -0.14,660 -0.089,661 0.093,662 -0.018,663 0.057,664 -0.001,665 0.035,666 1.531,667 5.992,668 0.846,669 24.154,670 0.991,671 1.116,672 2.059,673 4.24,674 0.688,675 3.401,676 3.689,677 3.932,678 4.19,679 4.317,680 4.419,681 4.575,682 4.736,683 4.796,684 4.828,685 5.882,686 0.649,687 343.46,688 3.401,689 4.92,690 5.753,691 6.611,692 7.459,693 8.324,694 9.18,695 10.051,696 10.911,697 11.785,698 6.4,701 1,706 2,715 11,717 2,720 3,722 16,741 47,743 19,744 1,745 29,747 50,748 22,749 14,750 1,751 5,752 5,756 4,757 4,772 19,773 3,777 3,782 1,784 2,786 3,789 1,790 1,793 21,794 2,795 2,796 4,802 3,808 1,809 1,824 2,828 2,829 2,841 1,849 2,850 2,855 1,859 4,868 26,876 3,881 1,893 2.1,896 1,901 12.333,902 8.2,903 5.722,904 2.675,907 2.597,908 1.364,909 1.033,910 4.892,911 9.738,912 3.714,913 4.263,914 4.8,915 5.302,916 5.559,917 5.821,918 6.174,919 6.537,920 6.805,921 7.121,922 0.833,923 34,924 9.613,926 4.068,927 0.026,929 7.596,931 18.639,933 15.388,936 2.096,937 54.5,940 1,941 223.651,942 148.854,943 36.695,945 25.145,948 148.854,949 248.796,950 36.695,952 6.317,953 121.476,954 30.278,955 52.623,956 47.084,957 176.567,959 223.651,960 185.55,961 25.145,964 223.651,965 25.145,968 43.012,969 123.585,970 18.952,972 223.651,973 61.84,974 148.854,977 223.651,978 27.378,979 124.6,980 33.571,981 25.145,982 223.651,983 61.84,984 148.854,986 0.57,987 0.325,988 0.178,989 0.087,990 19,991 7,992 0.08,993 4,995 1,996 3.911,997 219.243,999 22,1000 102.211,1005 16.676,1006 7.627,1007 4.084,1009 28.269,1010 21.904,1012 6.089,1015 3.302,1017 33.571,1018 434.346,1019 40,1024 12.992,1026 3.974,1028 1.791,1031 46.585,1032 52.441,1034 0.253,1035 0.594,1036 0.732,1037 0.821,1038 0.831,1039 0.831,1040 4.92,1041 1.233,1042 5.7,1043 3.046,1044 4.369,1045 4.949,1046 1.279,1047 6.447,1048 4.337,1049 6.1,1050 1.124,1051 7.209,1052 2.736,1053 3.761,1054 4.425,1055 0.325,1056 7.149,1057 3.751,1058 7.375,1059 1,1060 8.814,1061 2.51,1062 5.894,1063 7.036,1064 1.082,1065 10.263,1066 5.845,1067 8.684,1068 0.618,1069 10.478,1070 2.136,1071 6.155,1072 7.405,1073 0.604,1074 11.809,1075 6.136,1076 10.025,1077 0.618,1078 12.182,1079 1.372,1080 7.678,1081 9.352,1082 1.023,1083 14.406,1084 7.628,1085 11.387,1086 0.529,1087 13.912,1088 1.372,1089 8.35,1090 10.146,1091 0.783,1092 16.33,1093 8.33,1094 12.766,1095 -0.05,1096 15.663,1097 1.352,1098 9.62,1099 11.794,1100 1.023,1101 18.744,1102 9.58,1103 3.071,1104 -0.124,1105 17.429,1106 -0.136,1107 10.5,1108 12.811,1109 0.91,1110 20.857,1111 10.485,1112 2.595,1113 10,1114 19.208,1115 -0.359,1116 11.663,1117 14.308,1118 1.055,1119 23.201,1120 11.639,1121 2.589,1122 7.566,1123 20.998,1124 3.853,1125 12.651,1126 15.449,1127 1.011,1128 25.409,1129 12.646,1130 2.433,1131 7.523,1132 22.797,1133 3.585,1134 13.772,1135 16.868,1136 1.106,1137 27.726,1138 13.766,1139 2.061,1140 6.851,1141 24.604,1142 3.456,1143 14.817,1144 18.08,1145 1.101,1146 29.981,1147 14.825,1148 1.913,1149 5.917,1150 26.42,1151 3.334,1152 15.923,1153 19.456,1154 1.17,1155 32.288,1156 15.934,1157 1.414,1158 5.639,1159 28.241,1160 2.596,1161 16.998,1162 20.712,1163 1.186,1164 34.566,1165 17.021,1166 7565,1167 11746,1168 20.167,1169 32.324,1170 43.725,1171 43.48,1172 42.344,1173 42.403,1174 42.396,1175 57.012,1176 3.549,1177 116.04,1178 41.65,1179 5.392,1180 5.681,1181 6.259,1182 5.113,1183 5.071,1184 6.853,1185 1.816,1186 17.012,1187 5.083,1188 6.099,1189 1.508,1190 1.499,1191 1.46,1192 1.462,1193 1.462,1194 1.966,1195 0.122,1196 4.001,1197 1.436,1198 4.039,1199 4.078,1200 3.98,1201 3.937,1202 7.427,1203 3.942,1204 3.922,1205 3.973,1206 3.856,1207 3.831,1208 4.893,1209 3.825,1210 3.9,1211 3.938,1212 3.827,1213 3.8,1214 4.861,1215 3.808,1216 3.736,1217 3.783,1218 3.666,1219 3.586,1220 4.752,1221 3.599,1222 3.265,1223 3.322,1224 3.16,1225 3.119,1226 4.339,1227 3.112,1228 3.233,1229 3.291,1230 3.122,1231 3.085,1232 3.978,1233 3.091,1234 2.854,1235 2.925,1236 2.708,1237 2.735,1238 3.86,1239 2.715,1240 2.854,1241 2.925,1242 2.687,1243 2.673,1244 3.674,1245 2.671,1246 0.151,1247 0.127,1248 0.223,1249 0.14,1250 0.106,1251 4.392,1252 0.133,1253 3.681,1254 0.036,1255 6.457,1256 0.345,1257 4.073,1258 0.106,1259 3.071,1260 3.853,1261 1.057,1262 10,1263 3.083,1264 1.937,1265 1.906,1266 2.061,1267 2.052,1268 1.269,1269 2.055,1270 1.848,1271 1.825,1272 1.959,1273 1.939,1274 1.096,1275 1.949,1276 1.618,1277 1.591,1278 1.742,1279 1.732,1280 0.896,1281 1.725,1282 1.445,1283 1.395,1284 1.634,1285 1.713,1286 0.77,1287 1.695,1288 1.433,1289 1.353,1290 1.628,1291 1.674,1292 0.595,1293 1.682,1294 1.421,1295 1.342,1296 1.607,1297 1.584,1298 0.593,1299 1.599,1300 1.168,1301 1.12,1302 1.39,1303 1.351,1304 0.55,1305 1.359,1306 1.058,1307 0.998,1308 1.334,1309 1.228,1310 0.533,1311 1.269,1312 4.078,1314 5.371,1315 3.045,1316 6.841,1317 5.13,1318 8.396,1319 6.952,1320 10.002,1328 2.135,1333 2.313,1340 30.52,1341 65.965,1342 155.044,1343 191.15,1344 214.311,1345 217.066,1346 217.066,1347 35.84,1348 7.141,1349 51.89,1350 51.89,1351 22,1352 12.329,1353 4.322,1354 3.585,1355 37.675,1356 93,1357 86,1358 0.201,1359 187.334,1360 322.41,1361 448.854,1362 10931,1364 17.769,1365 0.683,1366 0.557,1367 17.769,1368 14.482,1369 12.776,1370 0.441,1371 0.302,1372 8.671,1373 12.467,1374 8.46,1375 7.044,1376 12.776,1377 8.755,1378 11.229,1379 0.288,1380 0.169,1381 11.229,1382 6.588,1383 9.372,1384 0.187,1385 0.091,1386 9.372,1387 4.546,1388 7.824,1389 0.12,1390 0.051,1391 7.824,1392 3.319,1393 5.633,1394 0.076,1395 0.028,1396 5.633,1397 2.058,1398 0.308,1399 78.846,1400 0.223,1401 24.955,1402 0.573,1403 136,1404 338.046,1405 142.961,1406 338.75,1407 466.89,1408 318,1409 157,1410 341.129,1411 165.321,1412 354.528,1413 510.98,1414 332,1415 5.222}
{0 CHEMBL423313,1 1.472,2 14.219,3 3.516,4 12.359,5 127.057,6 6.804,7 0.294,8 4.281,9 4.396,10 3.8,11 3.787,12 5.268,13 3.728,14 4.893,15 5.087,16 4.215,17 4.215,18 5.822,19 4.137,20 5.174,21 5.362,22 4.261,23 4.431,24 6.109,25 4.301,26 5.362,27 5.632,28 4.22,29 4.444,30 6.216,31 4.279,32 5.273,33 5.517,34 4.095,35 4.283,36 6.246,37 4.148,38 5.09,39 5.328,40 4.029,41 4.259,42 5.994,43 4.11,44 5.104,45 5.328,46 3.919,47 4.317,48 5.993,49 4.107,50 5.214,51 5.523,52 3.758,53 4.197,54 5.925,55 3.977,56 0.018,57 0.916,58 16.805,59 7.276,60 10.632,61 9.395,62 0.396,63 1.519,64 33.494,65 12.002,66 36.63,67 15.772,68 0.676,69 1.928,70 45.857,71 16.459,72 56.003,73 21.347,74 0.404,75 2.14,76 55.17,77 19.28,78 62.218,79 26.165,80 0.805,81 1.851,82 51.874,83 15.779,84 101.666,85 20.881,86 0.526,87 1.717,88 43.669,89 14.442,90 62.228,91 19.01,92 0.516,93 1.794,94 44.648,95 16.662,96 62.758,97 21.719,98 0.45,99 1.767,100 48.115,101 16.075,102 56.282,103 22.609,104 77,105 50,106 0.235,107 0.506,108 0.747,109 0.775,110 0.78,111 0.785,112 3.501,113 1.08,114 -0.6,115 -0.72,116 -0.86,121 36.8,122 3,123 4,124 1,126 3,127 3,132 1,144 3,145 1,146 2,154 2,159 1,160 1,176 6,179 1,180 6,187 12,189 2,191 1,192 6,194 2,200 7,203 1,206 8,214 3,216 1,219 10,227 5,229 4,232 2,239 7,243 2,244 4,246 1,251 10,256 4,264 7,266 2,269 2,277 3,279 1,281 1780,282 20.583,283 20.583,284 20.583,285 20.583,286 20.583,287 19.226,288 23.649,289 11.65,290 21.309,291 16.641,292 16.641,293 16.641,294 16.641,295 16.641,296 14.281,297 26.94,298 5.374,299 17.656,300 4.615,301 2.915,302 1.409,303 1.229,304 1.199,305 1.17,306 4.175,311 1,312 1,313 946,314 4.899,317 83.257,318 226.07,321 157.756,325 2.295,326 33.939,329 1,330 0.67,331 0.83,332 0.9,333 1,334 1,335 1,336 0.91,337 69.5,338 455,339 4.565,340 3.889,341 6.996,342 4.226,343 3.308,344 4.502,345 2.475,346 11.905,347 3.036,348 4.328,349 3.613,350 6.441,351 4.067,352 3.12,353 3.574,354 1.277,355 10.138,356 2.949,357 4.124,358 3.537,359 6.437,360 4.05,361 3.112,362 3.367,363 1.215,364 10.099,365 2.908,366 4.081,367 3.24,368 6.068,369 3.709,370 2.747,371 3.139,372 0.86,373 8.762,374 2.652,375 3.708,376 3.145,377 5.708,378 3.419,379 2.438,380 3.047,381 0.86,382 7.471,383 2.38,384 3.441,385 2.715,386 5.307,387 3.255,388 2.27,389 2.515,390 0.317,391 6.842,392 2.207,393 3.301,394 2.399,395 4.862,396 3.01,397 2.011,398 2.471,400 5.51,401 1.977,402 3.178,403 2.215,404 4.717,405 2.698,406 1.771,407 2.339,409 5.118,410 1.628,411 2.689,412 1.653,413 4.117,414 2.253,415 1.291,416 1.689,418 3.497,419 1.22,420 2.399,421 1.427,422 3.943,423 1.984,424 1.136,425 1.376,427 2.841,428 0.983,429 2,430 1.128,431 3.802,432 1.983,433 1,434 1,436 2.372,437 0.946,438 1.786,439 1.077,440 3.466,441 1.599,442 0.587,443 0.661,445 1.374,446 0.586,447 1.554,448 1.001,449 3.048,450 1.209,451 0.36,452 0.393,454 0.489,455 0.303,456 1.485,457 0.878,458 2.887,459 1.121,460 0.241,461 0.311,463 0.458,464 0.209,465 1.116,466 0.518,467 2.764,468 0.982,469 0.007,470 0.008,472 0.019,473 0.007,474 15.4,475 0.481,476 1.157,477 0.036,478 32,479 1,480 12,481 0.375,482 20,483 0.625,484 38.645,485 1.208,486 37.7,487 0.554,488 24.102,489 0.753,490 5.783,491 0.181,492 9.232,493 0.289,494 0.238,495 0.058,496 0.26,501 0.76,502 1.456,503 0.846,504 1.229,505 0.593,506 1.153,507 1.024,508 0.886,509 0.817,510 0.801,511 0.536,512 0.798,513 1.111,514 1.13,515 1.174,516 1.152,517 1,518 1.2,519 0.689,520 1.041,521 0.823,522 1.03,523 0.81,524 0.954,525 1.607,526 0.903,527 1.059,528 0.865,529 1.941,530 0.91,531 1.181,532 0.884,533 1.168,534 0.95,535 1.464,536 0.948,537 0.535,538 1.342,539 1.369,540 1.462,541 0.841,542 1.396,543 0.605,544 0.888,545 0.825,546 0.905,547 0.623,548 0.861,549 10.5,550 0.253,551 4,552 2.729,553 2.023,554 1.376,555 0.826,556 0.51,557 0.344,558 0.236,559 14939,560 36123,561 1.944,562 52.9,563 3,564 18,568 2,569 13,572 1.738,573 1.761,574 3.765,575 -0.774,582 100.124,583 1.472,584 3.172,585 4.678,586 4.859,587 4.888,588 4.918,589 3.23,590 4.226,591 4.971,592 3.998,593 1982.92,594 8.659,595 30841.9,600 413.947,601 1.772,602 4.881,603 0.309,604 0.01,605 0.08,606 0.057,607 0.044,608 0.035,609 0.021,610 0.016,611 0.012,612 0.009,613 0.593,614 0.33,615 0.88,616 1.445,617 172.35,618 0.007,619 -0.196,620 0.082,621 -0.072,622 -0.021,623 -0.027,624 0.002,625 0.249,626 0.179,627 0.236,628 0.127,629 0.221,630 -0.035,631 -0.036,632 -0.155,633 -0.085,634 -0.083,635 -0.173,636 0.067,637 -0.084,638 0.126,639 -0.049,640 0.079,641 0.044,642 -0.205,643 0.036,644 -0.044,645 0.062,646 -0.211,647 0.02,648 -0.166,649 0.17,650 -0.083,651 0.09,652 -0.14,653 0.041,654 0.12,655 -0.271,656 -0.269,657 -0.306,658 0.003,659 -0.331,660 0.052,661 0.008,662 0.111,663 0.034,664 0.061,665 0.115,666 1.799,667 5.854,668 0.469,669 38.453,670 0.997,671 1.128,672 -0.628,673 0.394,674 0.636,675 3.555,676 3.932,677 4.094,678 4.344,679 4.522,680 4.635,681 4.673,682 4.787,683 4.754,684 4.682,685 8.493,686 0.588,687 462.69,688 3.555,689 5.13,690 5.958,691 6.86,692 7.708,693 8.609,694 9.466,695 10.366,696 11.229,697 12.13,698 1.5,712 1,714 2,715 3,719 1,720 3,722 10,727 1,739 2,741 68,743 12,744 1,745 34,747 70,748 25,749 8,750 4,751 2,752 1,756 3,757 4,763 3,767 2,768 1,770 4,772 10,773 15,774 2,777 2,782 2,786 2,793 36,794 5,796 7,797 1,802 1,803 1,807 1,808 0.667,809 5,828 1,829 2,832 1,846 1,859 2,862 1,864 6,868 32,876 7,878 3,880 1,882 1,883 1,888 1,893 7.4,896 2,898 3,901 18.167,902 14.083,903 6.917,904 4.229,907 2.054,908 1.269,909 0.902,910 8.005,911 9.68,912 3.738,913 4.307,914 4.774,915 5.345,916 5.84,917 6.235,918 6.576,919 6.936,920 6.832,921 6.683,922 1,923 48,924 11.945,926 5.002,927 0.026,929 7.706,931 23.177,933 19.153,936 2.206,937 70.583,941 423.76,942 160.289,945 83.29,947 31.278,948 129.011,949 507.049,951 56.638,952 16.455,953 28.429,954 62.615,955 46.059,956 2.104,957 455.037,959 423.76,960 129.011,961 83.29,962 31.278,964 270.735,965 236.314,968 42.931,969 86.08,971 31.278,972 423.76,973 83.29,974 160.289,977 423.76,978 75.222,979 85.067,981 83.29,982 423.76,983 83.29,984 160.289,986 0.595,987 0.322,988 0.168,989 0.088,990 23,991 12,992 0.143,993 10,994 1,995 1.133,996 4.238,997 275.919,998 0.133,999 15,1000 151.245,1001 1,1005 25.135,1006 10.191,1007 6.759,1008 2.03,1009 83.29,1010 5.812,1014 1.512,1015 2.138,1018 667.338,1019 41,1024 25.097,1028 0.062,1031 67.778,1032 76.731,1034 0.242,1035 0.521,1036 0.769,1037 0.798,1038 0.803,1039 0.808,1040 5.034,1041 1.771,1042 6.028,1043 5.51,1044 4.615,1045 4.994,1046 2.982,1047 6.893,1048 4.505,1049 6.271,1050 1.291,1051 7.635,1052 5.118,1053 4.575,1054 5.075,1055 2.394,1056 8.176,1057 4.405,1058 7.616,1059 1.136,1060 9.345,1061 3.497,1062 6.358,1063 7.177,1064 4.083,1065 11.089,1066 6.131,1067 8.989,1068 1,1069 11.113,1070 2.841,1071 7.031,1072 7.992,1073 4.36,1074 13.089,1075 6.721,1076 10.387,1077 0.587,1078 12.917,1079 2.372,1080 8.394,1081 9.698,1082 5.616,1083 15.636,1084 8.032,1085 11.802,1086 0.36,1087 14.745,1088 1.374,1089 9.35,1090 10.851,1091 6.257,1092 17.899,1093 8.895,1094 13.229,1095 0.241,1096 16.59,1097 0.489,1098 10.574,1099 12.419,1100 7.324,1101 20.351,1102 10.061,1103 3.308,1104 0.007,1105 18.447,1106 0.458,1107 11.648,1108 13.744,1109 8.113,1110 22.718,1111 11.043,1112 3.12,1113 11.905,1114 20.314,1115 0.019,1116 12.826,1117 15.262,1118 9.095,1119 25.151,1120 12.155,1121 3.112,1122 10.138,1123 22.189,1124 4.502,1125 13.95,1126 16.676,1127 9.946,1128 27.562,1129 13.191,1130 2.747,1131 10.099,1132 24.071,1133 3.574,1134 15.115,1135 18.178,1136 10.889,1137 29.999,1138 14.284,1139 2.438,1140 8.762,1141 25.959,1142 3.367,1143 16.261,1144 19.636,1145 11.769,1146 32.433,1147 15.345,1148 2.27,1149 7.471,1150 27.851,1151 3.139,1152 17.425,1153 21.134,1154 12.694,1155 34.878,1156 16.432,1157 2.011,1158 6.842,1159 29.748,1160 3.047,1161 18.582,1162 22.615,1163 13.587,1164 37.324,1165 17.506,1166 14811,1167 23259,1168 21.266,1169 43.25,1170 51.513,1171 53.743,1172 53.349,1173 50.717,1174 50.8,1175 60.78,1176 14.009,1177 153.79,1178 47.983,1179 5.565,1180 5.889,1181 6.538,1182 5.343,1183 5.308,1184 7.502,1185 4.217,1186 18.659,1187 5.036,1188 22.022,1189 1.515,1190 1.581,1191 1.569,1192 1.492,1193 1.494,1194 1.788,1195 0.412,1196 4.523,1197 1.411,1198 4.098,1199 4.105,1200 4.339,1201 4.111,1202 7.433,1203 4.062,1204 3.976,1205 4.03,1206 3.872,1207 3.814,1208 7.426,1209 3.816,1210 3.738,1211 3.779,1212 3.647,1213 3.572,1214 4.968,1215 3.575,1216 3.649,1217 3.694,1218 3.598,1219 3.499,1220 4.566,1221 3.501,1222 3.492,1223 3.521,1224 3.443,1225 3.344,1226 4.527,1227 3.336,1228 3.317,1229 3.359,1230 3.228,1231 3.121,1232 4.496,1233 3.123,1234 3.249,1235 3.314,1236 3.077,1237 2.967,1238 4.367,1239 2.97,1240 3.157,1241 3.208,1242 3.018,1243 2.941,1244 3.971,1245 2.913,1246 0.134,1247 0.114,1248 0.206,1249 0.124,1250 0.097,1251 4.565,1252 0.132,1253 3.889,1254 0.073,1255 6.996,1256 0.35,1257 4.226,1258 0.089,1259 3.308,1260 4.502,1261 2.475,1262 11.905,1263 3.036,1264 1.934,1265 1.903,1266 2.13,1267 2.128,1268 1.538,1269 2.132,1270 1.908,1271 1.875,1272 1.964,1273 1.987,1274 1.178,1275 1.983,1276 1.708,1277 1.668,1278 1.948,1279 1.904,1280 1.139,1281 1.916,1282 1.656,1283 1.621,1284 1.845,1285 1.825,1286 1.116,1287 1.841,1288 1.456,1289 1.416,1290 1.628,1291 1.618,1292 0.882,1293 1.632,1294 1.24,1295 1.189,1296 1.576,1297 1.524,1298 0.825,1299 1.54,1300 1.205,1301 1.157,1302 1.564,1303 1.506,1304 0.644,1305 1.528,1306 1.165,1307 1.096,1308 1.513,1309 1.399,1310 0.58,1311 1.429,1312 4.234,1314 5.595,1315 2.398,1316 7.122,1317 4.727,1318 8.725,1319 6.843,1320 10.37,1322 11.062,1328 5.827,1330 16.242,1332 0.526,1334 -0.447,1335 0.722,1340 40.001,1341 100.124,1342 215.708,1343 318.134,1344 330.399,1345 332.399,1346 334.399,1347 85.814,1348 7.626,1349 61.83,1350 90.07,1351 17,1352 12.659,1353 3.7,1354 3,1355 61.756,1356 167,1357 136,1358 0.181,1359 250.205,1360 441.12,1361 602.259,1362 22647,1364 23.518,1365 0.735,1366 0.657,1367 23.872,1368 21.025,1369 15.015,1370 0.442,1371 0.36,1372 11.304,1373 13.851,1374 10.713,1375 8.988,1376 15.423,1377 12.241,1378 14.942,1379 0.299,1380 0.228,1381 15.585,1382 11.419,1383 10.753,1384 0.182,1385 0.127,1386 11.591,1387 7.519,1388 9.024,1389 0.119,1390 0.073,1391 9.896,1392 5.569,1393 6.67,1394 0.073,1395 0.045,1396 7.481,1397 4.112,1398 0.296,1399 99.101,1400 0.217,1401 30.573,1402 0.467,1403 168,1404 473.871,1405 211.122,1406 460.708,1407 614.67,1408 430,1409 193,1410 422.351,1411 233.947,1412 443.205,1413 640.27,1414 410,1415 7.102}
{0 CHEMBL423419,1 1.373,2 5.4,3 2.325,4 5.405,5 57.227,6 7.112,7 0.375,8 3.46,9 3.554,10 2.988,11 2.976,12 4.563,13 2.958,14 4.017,15 4.182,16 3.329,17 3.351,18 5.014,19 3.325,20 4.14,21 4.285,22 3.462,23 3.46,24 5.278,25 3.433,26 4.251,27 4.41,28 3.368,29 3.424,30 5.441,31 3.376,32 4.176,33 4.372,34 3.069,35 3.294,36 5.29,37 3.172,38 4.126,39 4.392,40 2.375,41 2.987,42 5.034,43 2.775,44 3.702,45 4.023,46 1.422,47 2.373,48 4.489,49 2.092,50 3.119,51 3.541,52 0.49,53 1.774,54 3.434,55 1.343,56 0.015,57 0.363,58 6.239,59 3.04,60 4.519,61 3.719,62 0.181,63 0.581,64 12.376,65 4.863,66 17.933,67 6.093,68 0.115,69 0.668,70 13.576,71 5.577,72 15.249,73 6.975,74 0.339,75 0.696,76 16.106,77 5.775,78 42.732,79 7.216,80 0.363,81 0.649,82 15.037,83 5.537,84 34.561,85 7.397,86 0.288,87 0.568,88 15.345,89 4.885,90 37.563,91 6.801,92 0.263,93 0.34,94 10.684,95 2.957,96 29.935,97 4.313,98 0.076,99 0.195,100 5.89,101 1.816,102 9.976,103 3.036,104 21,105 23,106 0.27,107 0.596,108 0.75,109 0.777,110 0.804,111 0.845,112 2.799,113 0.931,114 -3.34,115 -3.33,116 -3.19,121 41.4,122 1,123 1,124 1,126 2,144 2,145 2,146 2,159 1,176 5,180 6,187 6,192 8,200 5,205 1,206 4,214 3,218 2,219 3,227 2,281 191,282 10.085,283 10.085,284 10.085,285 10.085,286 10.085,287 9.266,288 14.065,289 5.675,290 10.404,291 7.711,292 7.711,293 7.711,294 7.711,295 7.711,296 6.243,297 16.523,298 2.455,299 8.011,300 3.485,301 1.828,302 1.044,303 0.906,304 0.768,305 0.561,306 3.435,311 1,312 1,313 164,314 2.236,317 25.992,318 33.787,321 50.682,325 0.747,326 16.706,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 33,338 81,339 4.613,340 3.821,341 6.97,342 4.294,343 3.297,344 4.277,345 1.277,346 11.778,347 3.289,348 3.763,349 3.094,350 5.866,351 3.446,352 2.461,353 3.085,354 0.86,355 7.883,356 2.419,357 3.567,358 2.725,359 5.569,360 3.248,361 2.306,362 2.82,363 0.86,364 7.05,365 2.163,366 2.855,367 2.139,368 4.638,369 2.496,370 1.514,371 1.958,373 4.341,374 1.483,375 2.506,376 1.73,377 4.265,378 2.272,379 1.264,380 1.439,382 3.462,383 1.258,384 1.933,385 1.231,386 3.081,387 1.644,388 0.772,389 0.868,391 1.342,392 0.666,393 1.519,394 1.094,395 2.807,396 1.211,397 0.319,398 0.362,400 0.454,401 0.279,402 1.118,403 0.51,404 2.414,405 0.803,406 -0.199,407 -0.237,409 -0.4,410 -0.196,411 0.786,412 0.034,413 2.278,414 0.42,415 -0.519,416 -0.641,418 -1.003,419 -0.482,420 0.328,421 -0.728,422 2.211,423 0.084,424 -0.912,425 -1.076,427 -2.459,428 -0.909,429 -0.021,430 -0.819,431 1.738,432 -0.309,433 -1.336,434 -1.58,436 -3.441,437 -1.202,438 -0.386,439 -0.923,440 1.265,441 -0.591,442 -1.48,443 -1.7,445 -4.328,446 -1.47,447 -0.5,448 -1.383,449 1.104,450 -0.771,451 -1.741,452 -2.036,454 -4.63,455 -1.573,456 -0.578,457 -1.599,458 0.868,459 -0.889,460 -1.81,461 -2.232,462 -0.86,463 -5.725,464 -1.809,465 -0.66,466 -1.726,467 0.493,468 -0.958,469 -1.935,470 -2.305,471 -0.86,472 -7.041,473 -1.914,474 7,475 0.467,476 0.401,477 0.027,478 17.75,479 1.183,480 8.5,481 0.567,482 9.25,483 0.617,484 10.996,485 0.733,486 17,487 0.586,488 11.144,489 0.743,490 3.558,491 0.237,492 3.627,493 0.242,494 0.262,496 0.429,501 0.74,502 1.262,503 0.791,504 1.231,505 0.578,506 1.055,507 1.136,508 0.753,509 0.792,510 0.73,511 0.733,512 0.695,513 1.018,514 1.196,515 0.888,516 1.164,517 1.068,518 1.024,519 1.324,520 1.147,521 1.172,522 1.137,523 1.588,524 1.124,525 0.781,526 1.262,527 1.177,528 1.285,529 0.801,530 1.311,531 1.191,532 1.075,533 1.3,534 1.1,535 1.246,536 1.203,537 1.311,538 0.595,539 1.162,540 0.626,541 1.311,542 0.825,543 0.032,544 0.496,545 0.405,546 0.516,547 0.083,548 0.537,549 3,551 2.222,552 1.667,553 1.249,554 0.65,555 0.041,559 1273,560 3597,561 1.955,562 48.3,563 5,564 8,568 1,572 1.542,573 1.765,574 2.483,575 -0.781,577 1,579 1,582 39.804,583 1.373,584 3.03,585 3.814,586 3.952,587 4.09,588 4.297,589 1.797,590 3.64,591 3.877,592 2.511,593 263.706,594 6.551,595 2148.67,597 1,600 140.881,601 1.566,602 3.796,603 0.188,605 0.097,606 0.067,607 0.059,608 0.046,609 0.008,613 0.465,614 1,615 1,616 1.157,617 56.361,618 -0.01,619 -0.115,620 0.058,621 -0.097,622 -0.021,623 -0.019,624 -0.131,625 0.289,626 0.156,627 0.3,628 -0.039,629 0.291,630 -0.06,631 -0.141,632 0.036,633 -0.121,634 -0.022,635 -0.037,636 -0.072,637 -0.146,638 -0.187,639 -0.158,640 -0.137,641 -0.191,642 0.179,643 -0.285,644 -0.231,645 -0.311,646 0.116,647 -0.351,648 -0.174,649 -0.192,650 -0.302,651 -0.21,652 -0.137,653 -0.272,654 -0.211,655 0.213,656 -0.106,657 0.197,658 -0.213,659 0.088,660 0.249,661 0.276,662 0.567,663 0.321,664 0.214,665 0.482,666 1.513,667 4.909,668 0.6,669 7.68,670 1.006,671 1.122,672 2.115,673 4.473,674 0.645,675 2.833,676 3.178,677 3.526,678 3.807,679 3.989,680 3.97,681 3.807,682 3.611,683 3.258,684 2.565,685 3.448,686 0.615,687 206.26,688 2.833,689 4.369,690 5.252,691 6.159,692 7.067,693 7.981,694 8.894,695 9.809,696 10.723,697 11.638,715 2,720 4,722 6,727 1,739 2,741 29,743 7,744 1,745 16,747 30,748 12,749 6,750 4,751 2,752 1,756 2,757 3,763 1,767 1,768 1,770 1,772 7,773 5,774 1,777 1,782 1,786 1,790 1,793 14,794 3,796 3,808 0.5,809 3,828 1,829 1,832 1,859 1,864 3,868 15,876 1,878 2,880 1,893 10.3,896 1,898 2,901 8.5,902 6.25,903 3.472,904 1.694,907 1.406,908 1.239,909 0.921,910 2.592,911 7.278,912 3.045,913 3.624,914 4.245,915 4.786,916 5.262,917 5.402,918 5.495,919 5.488,920 5.217,921 4.547,922 0.75,923 25,924 5.55,925 -0.001,926 2.316,927 0.026,929 7.844,931 10.538,933 8.495,936 2.344,937 35.167,938 0.004,941 164.795,942 74.07,945 47.145,948 74.07,949 211.94,951 30.591,952 2.535,953 18.952,954 30.278,955 38.858,957 164.795,959 164.795,960 74.07,961 47.145,964 164.795,965 47.145,968 11.36,969 62.71,972 164.795,973 47.145,974 74.07,977 164.795,978 24.526,979 49.544,981 47.145,982 164.795,983 47.145,984 74.07,986 0.58,987 0.382,988 0.214,989 0.118,990 12,991 6,992 0.067,993 2,994 1,995 1.222,996 2.563,997 101.611,998 0.222,999 9,1000 58.603,1005 10.34,1006 3.761,1007 1.482,1009 47.145,1010 3.636,1015 3.113,1018 286.01,1019 20,1024 11.909,1028 0.153,1031 29.167,1032 32.535,1034 0.283,1035 0.624,1036 0.785,1037 0.814,1038 0.842,1039 0.885,1040 4.297,1041 -0.199,1042 5.273,1043 0.454,1044 3.85,1045 4.304,1046 1.977,1047 6.172,1048 3.801,1049 5.514,1050 -0.519,1051 6.897,1052 -0.4,1053 3.611,1054 4.29,1056 7.273,1057 3.578,1058 6.851,1059 -0.912,1060 8.622,1061 -1.003,1062 5.525,1063 6.517,1064 2.142,1065 10.417,1066 5.461,1067 8.229,1068 -1.336,1069 10.404,1070 -2.459,1071 6.111,1072 7.314,1074 12.339,1075 6.063,1076 9.642,1077 -1.48,1078 12.221,1079 -3.441,1080 7.534,1081 9.067,1082 2.426,1083 15.029,1084 7.474,1085 11.079,1086 -1.741,1087 14.063,1088 -4.328,1089 8.474,1090 10.217,1092 17.282,1093 8.425,1094 12.534,1095 -1.81,1096 15.924,1097 -4.63,1098 9.731,1099 11.796,1100 2.796,1101 19.824,1102 9.679,1103 3.297,1104 -1.935,1105 17.799,1106 -5.725,1107 10.819,1108 13.107,1110 22.208,1111 10.774,1112 2.461,1113 11.778,1114 19.685,1115 -7.041,1116 12.025,1117 14.616,1118 3.22,1119 24.701,1120 11.979,1121 2.306,1122 7.883,1123 21.581,1124 4.277,1125 13.173,1126 16.001,1128 27.135,1129 13.131,1130 1.514,1131 7.05,1132 23.485,1133 3.085,1134 14.365,1135 17.48,1136 3.675,1137 29.61,1138 14.323,1139 1.264,1140 4.341,1141 25.396,1142 2.82,1143 15.538,1144 18.9,1146 32.065,1147 15.497,1148 0.772,1149 3.462,1150 27.311,1151 1.958,1152 16.728,1153 20.366,1154 4.146,1155 34.534,1156 16.686,1157 0.319,1158 1.342,1159 29.231,1160 1.439,1161 17.912,1162 21.803,1164 36.995,1165 17.869,1166 1396,1167 2397,1168 10.057,1169 18.693,1170 24.013,1171 25.488,1172 26.276,1173 23.746,1174 23.865,1175 29.617,1176 5.995,1177 72.617,1178 23.111,1179 5.457,1180 5.821,1181 6.536,1182 5.294,1183 5.297,1184 7.277,1185 2.555,1186 19.06,1187 5.289,1188 8.5,1189 1.501,1190 1.593,1191 1.642,1192 1.484,1193 1.492,1194 1.851,1195 0.375,1196 4.539,1197 1.444,1198 4.04,1199 4.052,1200 4,1201 3.965,1202 7.426,1203 3.971,1204 3.549,1205 3.59,1206 3.439,1207 3.413,1208 4.89,1209 3.41,1210 3.328,1211 3.372,1212 3.192,1213 3.042,1214 4.598,1215 3.069,1216 3.141,1217 3.232,1218 2.889,1219 2.868,1220 4.187,1221 2.856,1222 2.965,1223 3.049,1224 2.776,1225 2.781,1226 4.003,1227 2.758,1228 2.873,1229 2.917,1230 2.681,1231 2.67,1232 3.557,1233 2.666,1234 2.475,1235 2.521,1236 2.316,1237 2.231,1238 3.32,1239 2.247,1240 2.326,1241 2.401,1242 2.083,1243 2.134,1244 2.953,1245 2.114,1246 0.288,1247 0.239,1248 0.436,1249 0.268,1250 0.206,1251 4.613,1252 0.267,1253 3.821,1254 0.08,1255 6.97,1256 0.736,1257 4.294,1258 0.206,1259 3.297,1260 4.277,1261 1.277,1262 11.778,1263 3.289,1264 1.88,1265 1.872,1266 1.96,1267 1.978,1268 1.209,1269 1.969,1270 1.644,1271 1.6,1272 1.866,1273 1.81,1274 1.068,1275 1.83,1276 1.231,1277 1.168,1278 1.591,1279 1.561,1280 0.587,1281 1.567,1282 1.143,1283 1.062,1284 1.54,1285 1.449,1286 0.566,1287 1.481,1288 1.031,1289 0.98,1290 1.345,1291 1.214,1292 0.489,1293 1.258,1294 0.883,1295 0.793,1296 1.145,1297 1.167,1298 0.219,1299 1.165,1300 0.526,1301 0.469,1302 0.778,1303 0.746,1305 0.757,1306 0.071,1307 0.015,1308 0.493,1309 0.413,1311 0.418,1312 3.497,1314 4.828,1315 2.398,1316 6.382,1317 4.844,1318 8.037,1319 7.034,1320 9.747,1322 5.134,1328 0.745,1330 10.444,1332 0.033,1340 17.832,1341 39.804,1342 87.862,1343 110.617,1344 114.617,1345 118.617,1346 124.617,1347 24.681,1348 5.872,1349 35.53,1350 35.53,1351 11,1352 12.15,1353 3,1354 2.322,1355 23.265,1356 31,1357 30,1358 0.416,1359 111.371,1360 196.35,1361 263.505,1362 1866,1364 11,1365 0.733,1366 0.611,1367 11,1368 9.164,1369 7.185,1370 0.449,1371 0.31,1372 4.87,1373 6.815,1374 4.639,1375 3.896,1376 7.185,1377 4.967,1378 6.227,1379 0.271,1380 0.165,1381 6.227,1382 3.793,1383 5.75,1384 0.174,1385 0.087,1386 5.75,1387 2.876,1388 4.674,1389 0.106,1390 0.047,1391 4.674,1392 2.087,1393 3.713,1394 0.07,1395 0.026,1396 3.713,1397 1.398,1398 0.588,1399 45.918,1400 0.315,1401 14.487,1402 1.358,1403 78,1404 257.207,1405 85.861,1406 236.261,1407 316.94,1408 222,1409 95,1410 222.727,1411 103.306,1412 226.708,1413 332.06,1414 210,1415 6.42}
{0 CHEMBL424833,1 1.463,2 14.742,3 5.643,4 31.848,5 135.778,6 6.936,7 0.324,8 4.247,9 4.377,10 3.887,11 3.876,12 5.119,13 3.764,14 4.85,15 5.045,16 4.132,17 4.288,18 5.661,19 4.136,20 5.164,21 5.429,22 4.077,23 4.379,24 5.908,25 4.197,26 5.105,27 5.365,28 4.014,29 4.306,30 5.889,31 4.14,32 5.089,33 5.347,34 3.95,35 4.307,36 5.854,37 4.127,38 5.107,39 5.37,40 3.85,41 4.3,42 5.825,43 4.09,44 5.103,45 5.393,46 3.811,47 4.204,48 5.815,49 3.979,50 4.983,51 5.288,52 3.706,53 4.025,54 5.691,55 3.812,56 0.078,57 0.966,58 19.704,59 7.619,60 7.5,61 9.636,62 0.217,63 1.636,64 33.432,65 13.091,66 19.864,67 17.301,68 0.334,69 2.055,70 48.995,71 17.028,72 33.478,73 22.406,74 0.376,75 1.934,76 42.692,77 14.712,78 36.661,79 20.207,80 0.365,81 1.889,82 41.956,83 14.935,84 34.585,85 20.35,86 0.297,87 1.865,88 42.544,89 15.969,90 32.243,91 21.514,92 0.36,93 1.789,94 43.073,95 15.591,96 37.42,97 21.301,98 0.316,99 1.574,100 38.466,101 13.053,102 32.051,103 18.037,104 2,105 44,106 0.235,107 0.499,108 0.701,109 0.849,110 0.891,111 0.901,112 3.471,113 1.269,114 -4.9,115 -4.81,116 -4.51,121 37.9,123 11,127 3,129 1,144 4,145 2,146 1,148 2,160 1,176 12,180 5,183 1,185 5,187 12,192 5,197 5,200 8,206 4,209 1,211 5,214 10,219 2,223 1,224 3,227 15,232 1,239 14,244 2,247 1,249 4,251 10,261 3,264 3,269 2,272 1,274 5,277 3,281 1779,282 21.656,283 21.656,284 21.656,285 21.656,286 21.656,287 20.214,288 20.412,289 13.534,290 22.064,291 16.869,292 16.869,293 16.869,294 16.869,295 16.869,296 14.543,297 18.569,298 6.502,299 17.467,300 4.581,301 2.934,302 1.671,303 0.75,304 0.485,305 0.424,306 4.174,312 1,313 1005,314 4,317 102.347,318 231.93,322 266.451,325 2.316,326 19.286,329 1,330 0.67,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.83,337 64.5,338 457,339 4.64,340 4.08,341 6.829,342 4.207,343 3.226,344 4.564,345 1.907,346 11.348,347 3.162,348 3.914,349 3.574,350 5.982,351 3.524,352 2.545,353 3.437,354 0.4,355 8.37,356 2.512,357 3.661,358 3.361,359 5.381,360 3.468,361 2.532,362 2.893,363 0.149,364 6.998,365 2.398,366 3.538,367 3.354,368 5.353,369 3.377,370 2.376,371 2.829,373 6.711,374 2.296,375 3.522,376 2.669,377 5.034,378 3.134,379 2.18,380 2.54,382 6.09,383 2.077,384 2.94,385 2.356,386 4.116,387 2.727,388 1.743,389 2.142,391 3.653,392 1.713,393 2.782,394 1.887,395 3.97,396 2.521,397 1.547,398 1.794,400 3.329,401 1.508,402 2.598,403 1.667,404 3.755,405 2.499,406 1.514,407 1.622,409 3.301,410 1.479,411 2.56,412 1.64,413 3.658,414 2.345,415 1.347,416 1.555,418 3.167,419 1.343,420 2.488,421 1.469,422 3.594,423 2.242,424 1.247,425 1.487,427 2.902,428 1.24,429 2.252,430 1.402,431 3.535,432 2.162,433 1.219,434 1.243,436 2.663,437 1.144,438 2.124,439 1.35,440 3.318,441 1.999,442 1.071,443 1.104,445 2.333,446 0.97,447 1.888,448 1.094,449 3.093,450 1.714,451 0.738,452 0.817,454 1.686,455 0.717,456 1.618,457 0.973,458 3,459 1.579,460 0.618,461 0.618,463 1.372,464 0.585,465 1.487,466 0.737,467 2.868,468 1.319,469 0.368,470 0.391,472 0.823,473 0.347,474 15.7,475 0.506,476 0.448,477 0.014,478 30.75,479 0.992,480 12,481 0.387,482 18.75,483 0.605,484 36.493,485 1.177,486 34.7,487 0.526,488 16.76,489 0.541,490 4.084,491 0.132,492 11.225,493 0.362,494 0.021,496 0.223,501 0.761,502 1.173,503 0.724,504 0.913,505 0.55,506 1.018,507 0.727,508 1.217,509 1.001,510 1.101,511 0.547,512 1.125,513 1.094,514 1.058,515 1.051,516 1.017,517 0.977,518 0.958,519 1.348,520 0.983,521 0.919,522 0.884,523 1.258,524 0.966,525 1.32,526 0.935,527 0.967,528 0.918,529 1.273,530 1.025,531 1.095,532 1.029,533 0.961,534 1.005,535 1.204,536 1.112,537 0.789,538 1.016,539 0.773,540 0.939,541 1.036,542 1.016,543 1.03,544 0.958,545 0.693,546 0.822,547 1.188,548 0.885,549 3.5,550 0.148,551 2.444,552 1.535,553 1.325,554 0.462,555 0.397,556 0.183,557 0.136,558 0.122,559 16547,560 35629,561 2.143,562 53,563 10,564 11,567 2,568 4,569 6,570 2,572 1.728,573 2.09,574 3.746,575 0.161,582 96.554,583 1.463,584 3.111,585 4.374,586 5.294,587 5.56,588 5.62,589 3.123,590 4.22,591 4.926,592 4.042,593 1879.57,594 8.555,595 30018.8,600 398.93,601 0.964,602 4.922,603 0.103,604 0.006,605 0.056,606 0.036,607 0.033,608 0.012,609 0.012,610 0.007,611 0.005,612 0.005,613 0.276,614 0.17,615 0.88,616 0.32,617 167.491,618 0.011,619 0.015,620 0.196,621 0.129,622 0.039,623 0.059,624 0.081,625 -0.119,626 -0.039,627 -0.079,628 0.084,629 -0.09,630 -0.053,631 -0.054,632 -0.059,633 -0.04,634 -0.018,635 0.018,636 -0.106,637 0.028,638 -0.067,639 -0.013,640 -0.084,641 -0.023,642 -0.149,643 0.067,644 -0.119,645 -0.034,646 -0.125,647 -0.071,648 -0.121,649 -0.077,650 -0.128,651 -0.107,652 -0.125,653 -0.14,654 0.138,655 -0.119,656 0.034,657 -0.069,658 0.033,659 -0.058,660 0.078,661 -0.064,662 0.114,663 0.016,664 0.013,665 0.044,666 1.449,667 5.057,668 0.613,669 36.32,670 0.984,671 1.124,672 3.674,673 13.495,674 0.666,675 3.555,676 3.807,677 4.06,678 4.317,679 4.511,680 4.564,681 4.682,682 4.762,683 4.812,684 4.682,685 8.953,686 0.6,687 457.77,688 3.555,689 5.056,690 5.883,691 6.732,692 7.582,693 8.445,694 9.309,695 10.181,696 11.054,697 11.934,698 4.5,703 1,705 1,708 1,714 2,715 4,716 1,720 3,722 11,734 1,741 66,743 12,744 1,745 34,747 69,748 25,749 9,750 2,751 4,756 4,757 7,767 6,770 12,772 10,773 15,777 1,782 1,786 1,793 35,794 4,795 2,796 6,797 2,802 3,808 0.5,809 1,822 1,828 1,829 3,833 2,843 1,859 2,861 1,862 2,868 31,876 14,877 2,879 2,880 1,893 1.5,896 1,901 14.833,902 11.367,903 7.028,904 4.642,907 2.42,908 1.314,909 0.978,910 9.13,911 10.123,912 3.726,913 4.212,914 4.749,915 5.324,916 5.893,917 6.211,918 6.584,919 6.919,920 7.212,921 7.028,922 1,923 43,924 11.589,926 4.841,927 0.026,929 7.403,931 23.47,933 19.962,936 1.903,937 59,941 388.446,942 149.38,943 52.807,945 25.145,947 60.363,948 89.017,949 413.591,950 52.807,952 51.002,953 37.905,954 64.646,955 13.416,957 448.81,959 388.446,960 141.824,961 25.145,962 60.363,964 294.278,965 119.314,968 55.903,969 51.125,970 34.796,971 60.363,972 388.446,973 77.952,974 149.38,977 388.446,978 111.475,979 37.905,980 36.022,981 41.93,982 388.446,983 77.952,984 149.38,986 0.556,987 0.319,988 0.18,989 0.094,990 19,991 7,992 0.159,993 11,994 2,995 1.211,996 4.57,997 257.263,998 0.211,999 19,1000 153.58,1001 2,1005 23.105,1006 12.249,1007 6.71,1008 2.342,1009 77.952,1010 8.482,1011 4.917,1015 4.001,1017 36.022,1018 615.779,1019 40.5,1024 12.057,1028 0.218,1031 64.923,1032 74.188,1034 0.242,1035 0.515,1036 0.724,1037 0.876,1038 0.92,1039 0.93,1040 4.94,1041 1.514,1042 5.808,1043 3.329,1044 4.489,1045 4.898,1046 1.997,1047 6.555,1048 4.426,1049 6.066,1050 1.347,1051 7.313,1052 3.301,1053 3.761,1054 4.605,1055 1.593,1056 7.357,1057 3.686,1058 7.333,1059 1.247,1060 8.929,1061 3.167,1062 5.994,1063 7.021,1064 2.907,1065 10.516,1066 5.879,1067 8.645,1068 1.219,1069 10.62,1070 2.902,1071 6.217,1072 7.712,1073 3.032,1074 12.286,1075 6.084,1076 10.003,1077 1.071,1078 12.363,1079 2.663,1080 7.805,1081 9.574,1082 4.038,1083 14.942,1084 7.648,1085 11.394,1086 0.738,1087 14.144,1088 2.333,1089 8.506,1090 10.717,1091 4.409,1092 17.099,1093 8.331,1094 12.811,1095 0.618,1096 15.952,1097 1.686,1098 9.824,1099 12.37,1100 5.25,1101 19.602,1102 9.631,1103 3.226,1104 0.368,1105 17.781,1106 1.372,1107 10.766,1108 13.721,1109 5.75,1110 21.917,1111 10.556,1112 2.545,1113 11.348,1114 19.626,1115 0.823,1116 11.976,1117 15.291,1118 6.501,1119 24.37,1120 11.75,1121 2.532,1122 8.37,1123 21.484,1124 4.564,1125 13.036,1126 16.734,1127 7.068,1128 26.75,1129 12.793,1130 2.376,1131 6.998,1132 23.353,1133 3.437,1134 14.209,1135 18.272,1136 7.771,1137 29.187,1138 13.949,1139 2.18,1140 6.711,1141 25.23,1142 2.893,1143 15.326,1144 19.756,1145 8.374,1146 31.594,1147 15.048,1148 1.743,1149 6.09,1150 27.113,1151 2.829,1152 16.489,1153 21.281,1154 9.051,1155 34.026,1156 16.194,1157 1.547,1158 3.653,1159 29.003,1160 2.54,1161 17.632,1162 22.784,1163 9.674,1164 36.445,1165 17.319,1166 15432,1167 22768,1168 23.633,1169 43.949,1170 48.636,1171 53.009,1172 49.528,1173 48.886,1174 48.906,1175 58.479,1176 4.912,1177 130.294,1178 47.328,1179 5.631,1180 6.08,1181 6.654,1182 5.249,1183 5.226,1184 7.564,1185 3.306,1186 18.879,1187 5.162,1188 7.47,1189 1.43,1190 1.559,1191 1.457,1192 1.438,1193 1.438,1194 1.72,1195 0.144,1196 3.832,1197 1.392,1198 4.114,1199 4.145,1200 4.233,1201 4.041,1202 7.429,1203 4.045,1204 3.83,1205 3.88,1206 4.072,1207 3.795,1208 4.972,1209 3.712,1210 3.733,1211 3.781,1212 3.661,1213 3.651,1214 4.413,1215 3.636,1216 3.719,1217 3.779,1218 3.616,1219 3.585,1220 4.282,1221 3.566,1222 3.597,1223 3.652,1224 3.484,1225 3.482,1226 4.216,1227 3.449,1228 3.39,1229 3.468,1230 3.299,1231 3.212,1232 4.11,1233 3.206,1234 3.258,1235 3.317,1236 3.152,1237 3.118,1238 3.976,1239 3.103,1240 3.153,1241 3.229,1242 3.03,1243 2.979,1244 3.921,1245 2.976,1246 0.136,1247 0.12,1248 0.201,1249 0.124,1250 0.095,1251 4.64,1252 0.134,1253 4.08,1254 0.056,1255 6.829,1256 0.334,1257 4.207,1258 0.093,1259 3.226,1260 4.564,1261 1.907,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.435,1269 2.163,1270 1.779,1271 1.725,1272 2.003,1273 1.954,1274 1.38,1275 1.972,1276 1.754,1277 1.709,1278 1.954,1279 1.876,1280 1.285,1281 1.908,1282 1.697,1283 1.631,1284 1.942,1285 1.87,1286 1.145,1287 1.899,1288 1.538,1289 1.482,1290 1.777,1291 1.725,1292 1.132,1293 1.748,1294 1.358,1295 1.291,1296 1.613,1297 1.585,1298 0.86,1299 1.61,1300 1.265,1301 1.218,1302 1.504,1303 1.444,1304 0.798,1305 1.478,1306 1.154,1307 1.088,1308 1.449,1309 1.354,1310 0.746,1311 1.381,1312 4.234,1314 5.501,1315 2.398,1316 6.965,1317 4.443,1318 8.537,1319 6.26,1320 10.179,1328 15.307,1329 6.819,1331 4.034,1332 0.823,1340 39.582,1341 96.554,1342 205.294,1343 288.665,1344 349.42,1345 366.93,1346 370.93,1347 53.559,1348 7.703,1349 54.02,1350 104.62,1351 23,1352 12.473,1353 3.7,1354 2.907,1355 50.043,1356 169,1357 162,1358 0.139,1359 250.082,1360 432.79,1361 601.96,1362 29264,1364 21.305,1365 0.687,1366 0.648,1367 22.012,1368 20.091,1369 15.31,1370 0.45,1371 0.423,1372 12.09,1373 14.123,1374 11.702,1375 9.653,1376 16.389,1377 14.386,1378 12.848,1379 0.292,1380 0.261,1381 14.116,1382 11.482,1383 10.66,1384 0.187,1385 0.163,1386 12.044,1387 9.311,1388 8.915,1389 0.12,1390 0.103,1391 10.323,1392 7.604,1393 6.965,1394 0.077,1395 0.051,1396 7.577,1397 4.55,1398 0.231,1399 103.293,1400 0.206,1401 30.361,1402 0.346,1403 156,1404 347.767,1405 204.934,1406 382.169,1407 526.91,1408 362,1409 179,1410 353.408,1411 226.594,1412 386.884,1413 561.85,1414 369,1415 7.453}
{0 CHEMBL424984,1 1.387,2 12,3 2.277,4 5.186,5 127.49,6 7.29,7 0.158,8 4.265,9 4.354,10 3.804,11 3.797,12 5.366,13 3.782,14 4.863,15 5,16 4.33,17 4.279,18 5.931,19 4.269,20 5.262,21 5.381,22 4.629,23 4.597,24 6.464,25 4.584,26 5.596,27 5.77,28 4.576,29 4.74,30 6.789,31 4.659,32 5.638,33 5.893,34 4.407,35 4.677,36 6.65,37 4.538,38 5.452,39 5.709,40 4.281,41 4.419,42 6.529,43 4.322,44 5.128,45 5.318,46 4.09,47 4.161,48 6.372,49 4.107,50 4.885,51 5.087,52 3.885,53 4.001,54 6.046,55 3.925,56 0.088,57 0.822,58 13.687,59 6.858,60 21.583,61 8.174,62 0.323,63 1.429,64 27.016,65 11.961,66 57.322,67 14.754,68 0.564,69 2.066,70 40.746,71 17.069,72 91.885,73 20.375,74 1.515,75 2.706,76 62.374,77 22.624,78 236.95,79 28.275,80 1.198,81 2.812,82 67.969,83 24.336,84 183.475,85 33.722,86 1.171,87 2.234,88 58.212,89 19.077,90 178.055,91 26.052,92 1.188,93 1.595,94 41.08,95 13.176,96 156.124,97 16.353,98 0.701,99 1.314,100 31.147,101 11.075,102 84.999,103 14.327,104 83,105 64,106 0.222,107 0.589,108 0.754,109 0.81,110 0.846,111 0.846,112 3.562,113 0.909,114 -4.04,115 -3.99,116 -3.78,121 42.2,122 4,123 3,125 2,126 1,132 3,137 3,138 1,140 2,144 4,145 1,146 1,158 1,160 1,176 11,179 1,180 12,185 5,187 15,192 12,195 1,197 10,200 25,205 2,206 10,209 1,210 1,211 5,214 23,219 10,222 3,224 5,227 13,231 1,232 16,235 1,239 12,243 1,244 8,247 2,249 2,251 10,255 2,256 5,261 2,264 12,268 2,269 2,274 3,277 10,281 1700,282 21.715,283 21.715,284 21.715,285 21.715,286 21.715,287 20.224,288 28.225,289 11.493,290 22.12,291 18.496,292 18.496,293 18.496,294 18.496,295 18.496,296 15.974,297 36.656,298 5.229,299 19.109,300 4.613,301 2.323,302 1.29,303 0.938,304 0.715,305 0.715,306 4.253,311 1,312 1,313 890,314 4.416,318 335.86,322 300.415,325 1.941,326 61.411,329 1,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.98,337 75,338 408,339 5.271,340 4.477,341 9.312,342 5.233,343 4.256,344 4.323,345 1.674,346 19.966,347 4.157,348 4.726,349 4.037,350 8.477,351 4.65,352 3.679,353 3.992,354 1.277,355 16.078,356 3.571,357 4.403,358 3.736,359 7.37,360 4.035,361 3.065,362 3.758,363 0.86,364 11.659,365 2.968,366 4.101,367 3.424,368 6.507,369 3.87,370 2.891,371 3.565,372 0.86,373 10.147,374 2.822,375 3.932,376 2.98,377 6.336,378 3.677,379 2.691,380 3.046,382 8.784,383 2.65,384 3.697,385 2.925,386 6.073,387 3.336,388 2.367,389 2.979,391 8.266,392 2.293,393 3.537,394 2.735,395 5.462,396 3.276,397 2.322,398 2.647,400 6.765,401 2.196,402 3.269,403 2.603,404 5.295,405 2.9,406 1.941,407 2.353,409 6.054,410 1.84,411 3.032,412 2.295,413 5.011,414 2.749,415 1.765,416 2.061,418 5.333,419 1.72,420 2.9,421 1.844,422 4.497,423 2.405,424 1.455,425 1.94,427 4.217,428 1.369,429 2.5,430 1.755,431 4.383,432 2.178,433 1.185,434 1.5,436 3.442,437 1.164,438 2.345,439 1.336,440 4,441 2,442 1,443 1.28,445 2.275,446 1,447 2.08,448 1.053,449 3.819,450 1.582,451 0.614,452 0.698,454 1.65,455 0.582,456 1.699,457 1,458 3.708,459 1.413,460 0.505,461 0.556,463 1.066,464 0.45,465 1.612,466 0.816,467 3.545,468 1.351,469 0.364,470 0.459,472 0.751,473 0.352,474 15.833,475 0.466,476 1.527,477 0.045,478 35.5,479 1.044,480 14,481 0.412,482 21.5,483 0.632,484 45.276,485 1.332,486 38.167,487 0.596,488 32.358,489 0.952,490 6.402,491 0.188,492 9.416,493 0.277,494 0.242,495 0.158,496 0.221,501 0.8,502 1.129,503 0.799,504 1.106,505 0.776,506 0.978,507 0.779,508 0.955,509 0.633,510 0.921,511 0.63,512 0.773,513 1.153,514 1.226,515 0.99,516 1.197,517 1.014,518 1.08,519 1.262,520 1.118,521 1.282,522 1.131,523 1.364,524 1.197,525 0.701,526 1.005,527 0.908,528 1.014,529 0.758,530 1.009,531 0.986,532 0.822,533 0.832,534 0.811,535 1.081,536 0.791,537 1.532,538 0.889,539 1.205,540 0.886,541 1.499,542 0.958,543 1.072,544 0.993,545 1.034,546 0.993,547 1.168,548 1.003,549 11.5,550 0.264,551 9.556,552 5.313,553 4.84,554 2.417,555 1.296,556 0.856,557 0.566,558 0.349,559 14440,560 38372,561 2.004,562 46.9,563 9,564 10,567 2,569 9,572 1.762,573 1.782,574 3.446,575 0.147,577 1,582 88.76,583 1.387,584 3.677,585 4.71,586 5.062,587 5.285,588 5.285,589 3.1,590 4.499,591 5.051,592 3.614,593 2027.28,594 8.877,595 28067.7,600 384,601 1.914,602 4.942,603 0.303,604 0.011,605 0.149,606 0.065,607 0.068,608 0.041,609 0.024,610 0.02,611 0.016,612 0.012,613 0.709,614 0.5,615 0.75,616 0.807,617 176.858,618 -0.058,619 0.026,620 0.039,621 0.035,622 -0.116,623 0.054,624 0.056,625 0.137,626 0.265,627 0.162,628 0.053,629 0.244,630 -0.083,631 -0.145,632 -0.06,633 -0.137,634 -0.018,635 -0.101,636 -0.1,637 -0.113,638 -0.291,639 -0.14,640 -0.115,641 -0.239,642 0.085,643 -0.053,644 0.07,645 -0.046,646 0.062,648 0.022,649 0.102,650 0.2,651 0.123,652 0.016,653 0.188,654 -0.121,655 0.07,656 -0.145,657 0.053,658 -0.095,659 -0.034,660 -0.001,661 -0.011,662 -0.037,663 -0.016,664 -0.045,665 -0.031,666 2.912,667 6.262,668 0.706,669 34.118,670 1.009,671 1.12,672 2.813,673 7.913,674 0.65,675 3.664,676 4.174,677 4.585,678 4.86,679 5.193,680 5.429,681 5.606,682 5.793,683 6.019,684 6.157,685 6.569,686 0.624,687 466.57,688 3.664,689 5.323,690 6.267,691 7.241,692 8.211,693 9.193,694 10.175,695 11.164,696 12.152,697 13.146,715 4,720 2,722 6,739 1,741 64,743 11,744 1,745 38,747 68,748 27,749 6,750 2,751 4,752 8,756 5,757 11,763 4,764 2,766 2,767 3,768 3,770 3,772 14,773 13,774 3,777 5,782 2,784 3,786 5,793 30,794 7,795 2,796 7,808 0.4,809 7,812 2,829 5,833 3,841 1,846 1,849 5,850 1,857 2,858 1,859 2,864 5,868 34,875 2,876 3,878 3,882 5,893 10.9,894 2,896 2,897 1,898 2,901 19.083,902 13.067,903 6.958,904 3.808,907 2.104,908 1.239,909 0.875,910 4.85,911 10.926,912 3.85,913 4.472,914 5.032,915 5.48,916 5.994,917 6.324,918 6.638,919 6.966,920 7.379,921 7.686,922 1,923 82,924 12.959,926 6.272,927 0.026,929 7.939,931 24.005,933 21.507,936 2.439,937 82.917,941 329.591,942 154.547,945 168.656,948 154.547,949 498.247,951 46.184,952 7.604,953 151.7,954 84.101,955 33.614,957 329.591,959 329.591,960 154.547,961 168.656,964 223.651,965 178.23,966 96.367,968 42.904,969 72.727,970 38.916,972 329.591,973 168.656,974 154.547,977 329.591,978 42.03,979 112.518,981 168.656,982 329.591,983 168.656,984 154.547,986 0.633,987 0.406,988 0.196,989 0.107,990 37,991 17,992 0.029,993 2,994 3,995 1.25,996 3.977,997 371.314,998 0.25,999 24,1000 166.974,1005 23.344,1006 7.064,1007 2.799,1009 168.656,1010 7.129,1015 1.374,1017 85.367,1018 652.795,1019 46,1024 25.804,1026 4.708,1028 0.125,1031 64.545,1032 71.694,1034 0.231,1035 0.613,1036 0.785,1037 0.844,1038 0.881,1039 0.881,1040 5.244,1041 1.941,1042 6.418,1043 6.765,1044 4.86,1045 5.159,1046 2.552,1047 7.528,1048 4.8,1049 6.547,1050 1.765,1051 8.203,1052 6.054,1053 5.094,1054 5.338,1056 9.389,1057 5.008,1058 7.971,1059 1.455,1060 10.125,1061 5.333,1062 6.868,1063 7.366,1064 3.188,1065 12.644,1066 6.759,1067 9.434,1068 1.185,1069 12.135,1070 4.217,1071 7.867,1072 8.248,1074 15.283,1075 7.733,1076 10.933,1077 1,1078 14.201,1079 3.442,1080 9.319,1081 9.885,1082 4.014,1083 18.298,1084 9.163,1085 12.459,1086 0.614,1087 16.307,1088 2.275,1089 10.587,1090 11.051,1092 21.167,1093 10.407,1094 14.007,1095 0.505,1096 18.439,1097 1.65,1098 11.986,1099 12.557,1100 4.941,1101 24.143,1102 11.784,1103 4.256,1104 0.364,1105 20.592,1106 1.066,1107 13.35,1108 13.853,1110 27.083,1111 13.124,1112 3.679,1113 19.966,1114 22.759,1115 0.751,1116 14.753,1117 15.31,1118 5.917,1119 30.058,1120 14.505,1121 3.065,1122 16.078,1123 24.937,1124 4.323,1125 16.154,1126 16.67,1128 33.024,1129 15.883,1130 2.891,1131 11.659,1132 27.124,1133 3.992,1134 17.569,1135 18.11,1136 6.918,1137 36.003,1138 17.275,1139 2.691,1140 10.147,1141 29.317,1142 3.758,1143 18.988,1144 19.504,1146 38.981,1147 18.671,1148 2.367,1149 8.784,1150 31.516,1151 3.565,1152 20.412,1153 20.939,1154 7.932,1155 41.964,1156 20.073,1157 2.322,1158 8.266,1159 33.719,1160 3.046,1161 21.84,1162 22.354,1164 44.949,1165 21.478,1166 13803,1167 22603,1168 23.633,1169 41.602,1170 62.362,1171 64.159,1172 66.627,1173 60.841,1174 60.76,1175 70.999,1176 9.344,1177 214.18,1178 58.821,1179 6.271,1180 6.477,1181 8.863,1182 6.334,1183 6.256,1184 7.323,1185 3.349,1186 31.092,1187 6.157,1188 22.256,1189 1.641,1190 1.688,1191 1.753,1192 1.601,1193 1.599,1194 1.868,1195 0.246,1196 5.636,1197 1.548,1198 4.111,1199 4.126,1200 4.059,1201 4.017,1202 7.433,1203 4.023,1204 3.944,1205 3.959,1206 3.897,1207 3.871,1208 7.427,1209 3.873,1210 3.801,1211 3.814,1212 3.747,1213 3.686,1214 6.458,1215 3.698,1216 3.586,1217 3.612,1218 3.508,1219 3.452,1220 6.432,1221 3.457,1222 3.422,1223 3.485,1224 3.271,1225 3.298,1226 4.911,1227 3.282,1228 3.283,1229 3.337,1230 3.149,1231 3.097,1232 4.749,1233 3.099,1234 3.219,1235 3.274,1236 3.094,1237 3.028,1238 4.486,1239 3.028,1240 3.159,1241 3.226,1242 2.969,1243 2.933,1244 4.348,1245 2.929,1246 0.139,1247 0.118,1248 0.245,1249 0.138,1250 0.112,1251 5.271,1252 0.114,1253 4.477,1254 0.044,1255 9.312,1256 0.525,1257 5.233,1258 0.109,1259 4.256,1260 4.323,1261 1.674,1262 19.966,1263 4.157,1264 2.041,1265 2.025,1266 2.153,1267 2.156,1268 1.547,1269 2.153,1270 1.921,1271 1.906,1272 2.015,1273 2.018,1274 1.179,1275 2.015,1276 1.758,1277 1.741,1278 1.902,1279 1.9,1280 1.101,1281 1.897,1282 1.553,1283 1.522,1284 1.737,1285 1.722,1286 0.997,1287 1.723,1288 1.441,1289 1.382,1290 1.714,1291 1.616,1292 0.868,1293 1.653,1294 1.245,1295 1.193,1296 1.573,1297 1.513,1298 0.698,1299 1.533,1300 1.196,1301 1.135,1302 1.532,1303 1.439,1304 0.594,1305 1.467,1306 1.147,1307 1.072,1308 1.462,1309 1.384,1310 0.529,1311 1.409,1312 4.344,1314 5.808,1316 7.502,1318 9.307,1320 11.176,1322 8.539,1327 24.182,1328 0.489,1330 17.22,1334 -6.651,1340 39.906,1341 88.76,1342 235.355,1343 301.471,1344 323.961,1345 338.226,1346 338.226,1347 106.108,1348 8.822,1349 106.2,1350 106.2,1351 30,1352 13.61,1353 3.585,1354 3.17,1355 50.007,1356 136,1357 180,1358 0.192,1359 237.351,1360 443.37,1361 570.897,1362 83019,1364 24.734,1365 0.727,1366 0.591,1367 24.734,1368 20.098,1369 15.817,1370 0.416,1371 0.303,1372 11.352,1373 15.189,1374 10.875,1375 8.937,1376 15.817,1377 11.508,1378 16.448,1379 0.257,1380 0.168,1381 16.448,1382 10.725,1383 15.785,1384 0.163,1385 0.092,1386 15.785,1387 8.926,1388 12.029,1389 0.094,1390 0.049,1391 12.029,1392 6.319,1393 10.053,1394 0.056,1395 0.025,1396 10.053,1397 4.535,1398 0.292,1399 99.752,1400 0.206,1401 30.51,1402 0.553,1403 204,1404 576.977,1405 225.922,1406 540.967,1407 736.61,1408 502,1409 263,1410 549.424,1411 287.03,1412 552.076,1413 829.53,1414 517,1415 7.046}
{0 CHEMBL425165,1 1.387,2 16.083,3 4.977,4 24.773,5 95.663,6 5.743,8 4.108,9 4.257,10 3.392,11 3.486,12 5.024,13 3.423,14 4.713,15 4.945,16 3.573,17 3.814,18 5.662,19 3.673,20 4.969,21 5.273,22 3.509,23 3.891,24 5.679,25 3.711,26 4.921,27 5.206,28 3.49,29 3.801,30 5.779,31 3.657,32 4.83,33 5.106,34 3.436,35 3.727,36 5.718,37 3.597,38 4.755,39 5.016,40 3.394,41 3.683,42 5.686,43 3.554,44 4.729,45 4.993,46 3.247,47 3.653,48 5.604,49 3.502,50 4.667,51 4.956,52 3.174,53 3.647,54 5.399,55 3.458,56 0.052,57 0.741,58 15.185,59 5.551,60 5.357,61 8.192,62 0.633,63 1.04,64 26.696,65 8.448,66 49.319,67 12.85,68 0.369,69 1.131,70 31.785,71 9.397,72 30.913,73 14.993,74 0.503,75 1.042,76 31.37,77 8.145,78 49.479,79 13.296,80 0.495,81 0.957,82 28.991,83 7.483,84 47.103,85 12.099,86 0.43,87 0.898,88 26.982,89 7.349,90 49.39,91 11.587,92 0.482,93 0.874,94 26.096,95 7.169,96 48.574,97 11.264,98 0.291,99 0.875,100 23.64,101 7.354,102 27.885,103 11.493,104 56,105 24,106 0.234,107 0.372,108 0.58,109 0.699,110 0.722,111 0.722,112 3.224,113 1.241,114 -3.51,115 -3.48,116 -3.32,121 30,122 2,123 10,127 4,161 2,176 9,179 2,180 2,183 4,185 2,187 6,192 2,197 2,200 3,206 8,211 4,214 2,219 8,224 2,227 1,232 8,237 2,239 2,244 4,249 2,251 4,256 2,261 2,264 6,268 1,269 2,274 2,277 6,281 1044,282 16.33,283 16.33,284 16.33,285 16.33,286 16.33,287 16.021,288 14.51,289 11.186,290 16.716,291 11.347,292 11.347,293 11.347,294 11.347,295 11.347,296 10.743,297 12.515,298 5.367,299 11.877,300 4.52,301 3.703,302 2.466,303 1.758,304 1.625,305 1.625,306 3.86,312 1,313 728,314 4.899,325 2.583,326 24.719,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 53,338 386,339 3.659,340 3.637,341 5.035,342 3.321,343 2.383,344 2.828,345 2.186,346 6.092,347 2.208,348 3.659,349 3.637,350 5.035,351 3.319,352 2.381,353 2.828,354 2.186,355 6.092,356 2.206,357 2.903,358 2.051,359 3.911,360 2.888,361 1.895,362 1.903,363 0.366,364 3.809,365 1.881,366 2.683,367 1.982,368 3.712,369 2.65,370 1.683,371 1.683,372 0.366,373 3.354,374 1.625,375 2.634,376 1.786,377 3.604,378 2.59,379 1.609,380 1.629,382 3.101,383 1.575,384 2.578,385 1.78,386 3.505,387 2.517,388 1.52,389 1.565,391 2.943,392 1.51,393 2.234,394 1.649,395 3.235,396 2.149,397 1.191,398 1.215,400 2.375,401 1.131,402 1.831,403 1.185,404 2.926,405 1.762,406 0.831,407 0.831,409 1.589,410 0.768,411 1.753,412 1.046,413 2.68,414 1.654,415 0.685,416 0.705,418 1.16,419 0.659,420 1.681,421 1.037,422 2.427,423 1.516,424 0.537,425 0.571,427 0.925,428 0.519,429 1.246,430 0.649,431 2.139,432 1.084,433 0.137,434 0.143,436 0.267,437 0.128,438 0.796,439 0.276,440 1.864,441 0.667,442 -0.285,443 -0.285,445 -0.504,446 -0.27,447 0.763,448 0.083,449 1.598,450 0.6,451 -0.398,452 -0.423,454 -0.643,455 -0.392,456 0.715,457 -0.121,458 1.429,459 0.526,460 -0.491,461 -0.556,463 -0.912,464 -0.491,465 0.302,466 -0.319,467 1.292,468 0.133,469 -0.866,470 -0.948,472 -1.833,473 -0.854,474 11.133,475 0.464,476 0.212,477 0.009,478 17,479 0.708,480 3,481 0.125,482 14,483 0.583,484 26.389,485 1.1,486 31.467,487 0.524,488 10.509,489 0.438,490 2.747,491 0.114,492 8.955,493 0.373,494 0.15,496 0.09,501 0.799,502 1.8,503 1.102,504 1.66,505 0.581,506 1.451,507 0.609,508 1.304,509 1.12,510 1.349,511 0.434,512 1.328,513 0.844,514 1.027,515 0.863,516 0.995,517 0.696,518 0.939,519 1.4,520 0.959,521 1.065,522 0.911,523 1.384,524 0.925,525 1.558,526 0.888,527 1.132,528 0.881,529 1.533,530 0.921,531 1.563,532 1.017,533 1.155,534 1.015,535 1.565,536 1.02,537 1.676,538 0.924,539 1.263,540 0.933,541 1.703,542 1.024,543 0.917,544 1.072,545 1.038,546 1.089,547 0.9,548 1.085,549 2.5,550 0.05,551 1.111,552 0.625,553 0.4,554 0.278,555 0.122,556 0.094,557 0.074,558 0.06,559 7439,560 16981,561 1.843,562 60,563 18,564 8,567 2,569 8,572 1.656,573 1.756,574 3.982,575 0.296,582 83.237,583 1.387,584 2.204,585 3.441,586 4.148,587 4.282,588 4.282,589 3.418,590 3.585,591 4.553,592 4.143,593 1143.35,594 7.792,595 16597.6,600 354.413,601 1.041,602 4.534,603 0.109,604 0.004,605 0.046,606 0.027,607 0.018,608 0.013,609 0.006,610 0.006,611 0.005,612 0.004,613 0.237,614 0.33,615 0.88,616 3.418,617 123.777,618 -0.015,619 -0.239,620 0.008,621 -0.174,622 0.003,623 -0.088,624 0.351,625 -0.096,626 -0.077,627 -0.184,628 0.237,629 -0.208,630 -0.007,631 -0.07,632 0.081,633 -0.019,635 0.04,636 -0.152,637 -0.009,638 -0.031,639 0.013,640 -0.126,641 0.014,642 -0.198,643 0.079,644 -0.068,645 0.046,646 -0.16,647 0.02,648 -0.184,649 -0.032,650 -0.088,651 -0.028,652 -0.112,653 -0.04,654 -0.264,655 0.045,656 -0.194,657 0.037,658 -0.216,659 -0.058,660 -0.075,661 -0.054,662 -0.078,663 -0.059,664 -0.064,665 -0.068,666 1.974,667 4.283,669 31.833,670 0.992,671 1.148,672 2.276,673 5.181,674 0.58,675 3.178,676 3.219,677 3.178,678 3.135,679 3.091,680 3.045,681 2.89,682 2.833,683 2.773,684 2.708,685 9.208,686 0.531,687 344.56,688 3.178,689 4.554,690 5.242,691 5.958,692 6.661,693 7.383,694 8.091,695 8.817,696 9.527,697 10.255,698 3.3,705 2,741 60,743 2,745 23,747 59,748 18,763 2,770 10,772 2,773 16,777 2,782 2,786 2,793 36,794 6,795 2,796 6,802 2,809 4,856 2,864 2,868 24,876 14,877 2,878 2,893 6.7,896 2,898 2,901 13.667,902 10.667,903 6.083,904 4.458,907 0.145,908 1.025,909 0.86,910 17.911,911 5.852,912 3.258,913 3.367,914 3.332,915 3.296,916 3.258,917 3.219,918 2.996,919 2.944,920 2.89,921 2.833,922 0.909,923 23,924 8.941,926 3.314,927 0.026,929 7.764,931 17.484,933 12.787,936 2.264,937 54.333,941 400.217,942 69.917,943 36.022,945 72.29,948 69.917,949 472.507,950 36.022,951 17.65,952 74.763,954 50.29,955 22,956 13.525,957 400.217,959 400.217,960 105.938,961 72.29,964 306.049,965 166.458,968 92.413,969 13.525,972 400.217,973 108.311,974 69.917,977 400.217,978 52.267,979 17.65,980 36.022,981 72.29,982 400.217,983 108.311,984 69.917,986 0.508,987 0.255,988 0.119,989 0.06,990 2,991 2,992 0.288,993 17,996 3.949,997 135.779,1000 86.039,1005 23.195,1006 18.532,1007 18.416,1009 108.311,1017 36.022,1018 578.446,1019 25,1024 22.566,1028 -0.615,1031 59.534,1032 68.893,1034 0.235,1035 0.373,1036 0.583,1037 0.702,1038 0.725,1039 0.725,1040 4.357,1041 0.831,1042 5.043,1043 2.375,1044 3.892,1045 4.043,1046 2.894,1047 5.468,1048 3.799,1049 5.328,1050 0.685,1051 6.358,1052 1.589,1053 2.565,1054 3.219,1055 2.389,1056 5.38,1057 2.431,1058 6.452,1059 0.537,1060 7.761,1061 1.16,1062 5.106,1063 5.501,1064 4.168,1065 8.5,1066 4.893,1067 7.604,1068 0.137,1069 9.221,1070 0.925,1071 4.615,1072 5.638,1073 4.269,1074 9.383,1075 4.301,1076 8.798,1077 -0.285,1078 10.722,1079 0.267,1080 6.512,1081 7.245,1082 5.594,1083 11.829,1084 6.159,1085 10.015,1086 -0.398,1087 12.253,1088 -0.504,1089 6.512,1090 7.854,1091 5.979,1092 13.159,1093 6.02,1094 11.253,1095 -0.491,1096 13.805,1097 -0.643,1098 8.032,1099 9.157,1100 7.079,1101 15.303,1102 7.525,1103 2.383,1104 -0.866,1105 15.375,1106 -0.912,1107 8.34,1108 9.995,1109 7.623,1110 16.854,1111 7.679,1112 2.381,1113 6.092,1114 16.956,1115 -1.833,1116 9.627,1117 11.157,1118 8.595,1119 18.846,1120 8.958,1121 1.895,1122 6.092,1123 18.547,1124 2.828,1125 10.133,1126 12.103,1127 9.232,1128 20.512,1129 9.309,1130 1.683,1131 3.809,1132 20.145,1133 2.828,1134 11.272,1135 13.2,1136 10.129,1137 22.423,1138 10.437,1139 1.609,1140 3.354,1141 21.747,1142 1.903,1143 11.906,1144 14.196,1145 10.823,1146 24.15,1147 10.922,1148 1.52,1149 3.101,1150 23.353,1151 1.683,1152 12.95,1153 15.263,1154 11.675,1155 26.017,1156 11.949,1157 1.191,1158 2.943,1159 24.962,1160 1.629,1161 13.666,1162 16.282,1163 12.403,1164 27.778,1165 12.526,1166 8062,1167 12316,1168 14.674,1169 34.773,1170 29.806,1171 31.468,1172 30.503,1173 29.668,1174 29.704,1175 31.8,1176 10.21,1177 63.414,1178 28.42,1179 4.64,1180 5.528,1181 4.963,1182 4.38,1183 4.364,1184 4.828,1185 3.889,1186 10.773,1187 4.118,1188 13.613,1189 1.296,1190 1.368,1191 1.326,1192 1.29,1193 1.291,1194 1.383,1195 0.444,1196 2.757,1197 1.236,1198 3.823,1199 3.881,1200 3.684,1201 3.673,1202 7.437,1203 3.66,1204 3.721,1205 3.784,1206 3.602,1207 3.55,1208 7.433,1209 3.536,1210 3.706,1211 3.778,1212 3.544,1213 3.538,1214 4.491,1215 3.531,1216 3.598,1217 3.656,1218 3.427,1219 3.426,1220 4.459,1221 3.417,1222 3.461,1223 3.505,1224 3.332,1225 3.183,1226 4.205,1227 3.216,1228 3.37,1229 3.439,1230 3.218,1231 3.104,1232 4.186,1233 3.129,1234 3.215,1235 3.307,1236 2.995,1237 3.003,1238 4.077,1239 2.987,1240 3.049,1241 3.116,1242 2.822,1243 2.785,1244 3.889,1245 2.79,1246 0.159,1247 0.158,1248 0.219,1249 0.144,1250 0.104,1251 3.659,1252 0.123,1253 3.637,1254 0.095,1255 5.035,1256 0.265,1257 3.321,1258 0.096,1259 2.383,1260 2.828,1261 2.186,1262 6.092,1263 2.208,1264 1.792,1265 1.733,1266 2.04,1267 1.965,1268 1.399,1269 1.99,1270 1.704,1271 1.636,1272 1.973,1273 1.915,1274 1.255,1275 1.931,1276 1.7,1277 1.63,1278 1.972,1279 1.898,1280 1.254,1281 1.925,1282 1.59,1283 1.531,1284 1.86,1285 1.8,1286 1.186,1287 1.82,1288 1.362,1289 1.31,1290 1.635,1291 1.665,1292 0.88,1293 1.651,1294 1.301,1295 1.228,1296 1.607,1297 1.595,1298 0.754,1299 1.6,1300 1.223,1301 1.131,1302 1.573,1303 1.477,1304 0.753,1305 1.514,1306 0.998,1307 0.936,1308 1.326,1309 1.31,1310 0.543,1311 1.318,1312 3.85,1314 4.963,1316 6.209,1318 7.517,1320 8.862,1322 4.17,1328 12.589,1329 5.452,1330 10.172,1340 31.858,1341 83.237,1342 132.22,1343 206.465,1344 248.904,1345 256.904,1346 256.904,1347 130.398,1348 5.707,1349 76.66,1350 76.66,1352 10.92,1353 1.585,1354 1.585,1355 124.88,1356 134,1357 120,1358 0.433,1359 207.151,1360 371.84,1361 497.209,1362 2130,1364 17.883,1365 0.745,1366 0.647,1367 17.883,1368 15.532,1369 11.702,1370 0.509,1371 0.414,1372 9.38,1373 11.155,1374 9.17,1375 7.811,1376 11.702,1377 9.515,1378 8.608,1379 0.359,1380 0.248,1381 8.608,1382 5.954,1383 5.745,1384 0.25,1385 0.157,1386 5.745,1387 3.604,1388 3.821,1389 0.174,1390 0.094,1391 3.821,1392 2.077,1393 2.512,1394 0.12,1395 0.058,1396 2.512,1397 1.218,1398 0.747,1399 74.091,1400 0.261,1401 25.447,1402 1.025,1403 94,1404 317.608,1405 109.619,1406 285.466,1407 362.82,1408 266,1409 94,1410 237.562,1411 106.3,1412 231.035,1413 329.28,1414 216,1415 6.824}
{0 CHEMBL425192,1 1.374,2 7.647,3 2.853,4 8.137,5 63.767,6 8.379,7 0.667,8 3.391,9 3.464,10 3.038,11 3.043,12 4.707,13 3.03,14 3.804,15 3.896,16 3.353,17 3.366,18 5.137,19 3.343,20 4.074,21 4.216,22 3.425,23 3.408,24 5.589,25 3.379,26 4.015,27 4.178,28 3.231,29 3.2,30 5.476,31 3.183,32 3.807,33 3.951,34 3.096,35 3.008,36 5.332,37 3.023,38 3.588,39 3.696,40 2.918,41 2.932,42 5.181,43 2.906,44 3.558,45 3.742,46 2.63,47 2.859,48 4.92,49 2.749,50 3.405,51 3.655,52 2.208,53 2.561,54 4.427,55 2.409,56 0.05,57 0.292,58 4.005,59 2.427,60 11.655,61 2.601,62 0.052,63 0.451,64 6.32,65 3.773,66 14.005,67 4.204,68 0.242,69 0.601,70 10.798,71 5.03,72 52.812,73 5.733,74 0.244,75 0.566,76 11.513,77 4.695,78 49.885,79 5.024,80 0.26,81 0.448,82 9.485,83 3.638,84 60.564,85 3.471,86 0.243,87 0.354,88 6.436,89 2.886,90 53.81,91 2.829,92 0.19,93 0.366,94 6.949,95 3.133,96 38.802,97 3.88,98 0.092,99 0.328,100 6.933,101 2.869,102 18.04,103 3.858,104 10,105 24,106 0.266,107 0.468,108 0.567,109 0.714,110 0.776,111 0.791,112 2.908,113 0.852,114 -3.55,115 -3.53,116 -3.37,121 51.9,144 9,145 2,146 1,159 2,176 10,180 2,185 2,187 10,191 1,192 6,197 2,200 6,206 8,211 1,214 4,219 5,227 8,232 1,235 1,239 9,247 1,249 1,251 6,261 2,264 2,274 2,281 311,282 11.328,283 11.328,284 11.328,285 11.328,286 11.328,287 9.68,288 3.904,289 6.782,290 11.321,291 8.835,292 8.835,293 8.835,294 8.835,295 8.835,296 6.364,297 1.752,298 3.21,299 8.803,300 3.381,301 2.336,302 1.825,303 1.065,304 0.741,305 0.667,306 3.558,311 1,312 1,313 270,314 2.739,318 116.362,325 1.197,326 25.482,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 37,338 130,339 4.388,340 3.836,341 6.526,342 4.073,343 3.04,344 3.93,346 10.025,347 3.137,348 3.982,349 2.99,350 5.712,351 3.562,352 2.565,353 3.573,355 7.619,356 2.557,357 3.627,358 2.623,359 5.029,360 3.202,361 2.221,362 3.032,364 5.991,365 2.168,366 3.183,367 2.161,368 4.504,369 2.723,370 1.712,371 2.431,373 4.285,374 1.723,375 2.722,376 1.892,377 3.643,378 2.232,379 1.213,380 1.768,382 2.844,383 1.23,384 2.5,385 1.323,386 3.414,387 2,388 1,389 1.5,391 2.275,392 1,393 2.5,394 1,395 3.247,396 2,397 1,398 1.5,400 2.136,401 1,402 2.242,403 1,404 3.11,405 1.593,406 0.49,407 0.792,409 1.121,410 0.533,411 1.114,412 0.234,413 2.24,414 0.694,415 -0.276,416 -0.362,418 -0.585,419 -0.262,420 0.75,421 -0.213,422 2,423 0.28,424 -0.751,425 -1.097,427 -1.609,428 -0.77,429 0.5,430 -0.678,431 1.707,433 -1,434 -1.5,436 -2.347,437 -1,438 0.5,439 -1,440 1.555,442 -1,443 -1.5,445 -2.938,446 -1,447 0.229,448 -1,449 1.445,450 -0.188,451 -1.219,452 -1.56,454 -3,455 -1.168,456 -0.048,457 -1.054,458 1.233,459 -0.369,460 -1.381,461 -2,463 -3.504,464 -1.495,465 -0.37,466 -1.533,467 1,468 -0.674,469 -1.688,470 -2.217,472 -4.789,473 -1.728,474 8,475 0.471,476 0.404,477 0.024,478 25.25,479 1.485,480 15.5,481 0.912,482 9.75,483 0.574,484 8.222,485 0.484,486 17.2,487 0.637,488 17.03,489 1.002,490 5.325,491 0.313,492 2.856,493 0.168,494 0.125,496 0.313,501 0.665,502 0.827,503 0.701,504 0.822,505 0.671,506 0.782,507 0.612,508 1.121,509 0.803,510 1.116,511 0.641,512 1.031,513 0.821,514 1.102,515 0.896,516 1.095,517 0.785,518 1.032,519 1.374,520 1.04,521 1.051,522 1.017,523 1.401,524 0.968,525 1.791,526 0.802,527 1.097,528 0.769,529 1.932,530 0.764,531 1.254,532 0.993,533 1.252,534 1.008,535 1.362,536 1.102,537 0.509,538 1.074,539 1.121,540 1.122,541 0.545,542 1.238,543 0.513,544 1.091,545 0.995,546 1.12,547 0.463,548 1.164,549 3,550 0.012,551 2.222,552 1.188,553 0.893,554 0.472,555 0.162,556 0.111,557 0.082,558 0.03,559 2254,560 7526,561 1.994,562 37,564 9,567 1,572 1.569,573 1.855,574 2.969,575 -0.314,579 1,582 37.105,583 1.374,584 2.419,585 2.93,586 3.69,587 4.014,588 4.088,589 2.469,590 3.617,591 4.06,592 3.028,593 411.774,594 6.863,595 3692.51,597 1,599 1,600 128.382,601 1.447,602 4.01,603 0.167,604 0.012,605 0.093,606 0.049,607 0.047,608 0.028,609 0.012,610 0.011,611 0.014,612 0.01,613 0.442,614 1,615 1,616 0.682,617 70.192,618 -0.065,619 0.108,620 -0.017,621 0.103,622 -0.106,623 0.066,624 -0.006,625 -0.193,626 -0.073,627 -0.19,628 -0.032,629 -0.158,630 0.105,631 -0.15,632 0.026,633 -0.145,634 0.144,635 -0.094,636 -0.168,637 -0.071,638 -0.017,639 -0.057,640 -0.135,641 -0.012,642 -0.32,643 0.179,644 -0.048,645 0.185,646 -0.315,647 0.147,648 -0.03,649 -0.035,650 -0.347,651 -0.077,652 -0.084,653 -0.243,654 0.204,655 -0.117,656 -0.163,657 -0.146,658 0.147,659 -0.223,660 0.071,661 -0.121,662 0.085,663 -0.107,664 0.071,665 -0.03,666 2.24,667 4.825,668 0.706,669 9.875,670 1.015,671 1.1,672 2.324,673 5.403,674 0.71,675 2.944,676 3.219,677 3.434,678 3.555,679 3.714,680 3.555,681 3.497,682 3.367,683 3.219,684 3.045,685 4.521,686 0.695,687 226.24,688 2.944,689 4.443,690 5.263,691 6.103,692 6.94,693 7.785,694 8.629,695 9.476,696 10.322,697 11.171,715 9,720 3,722 12,727 2,738 1,741 27,743 14,744 2,745 18,747 28,748 14,749 12,750 3,751 9,752 2,756 2,757 2,772 14,777 2,782 2,786 2,790 1,793 10,794 3,795 1,796 3,808 1,809 3,829 2,859 2,868 17,875 1,893 11.1,895 1,896 2,901 9.167,902 4.783,903 3.833,904 1.488,907 2.11,908 1.363,909 0.937,910 3.127,911 7.921,912 3.296,913 3.85,914 4.407,915 4.844,916 5.327,917 5.273,918 5.455,919 5.455,920 5.558,921 5.768,922 1,923 24,924 6.284,926 2.697,927 0.026,929 8.225,931 11.401,933 8.988,936 2.725,937 46.333,938 0.001,941 105.94,942 101.924,945 92.973,948 101.924,949 198.913,953 85.286,954 103.24,955 6.371,957 105.94,959 105.94,960 101.924,961 92.973,964 105.94,965 92.973,969 101.924,972 105.94,973 92.973,974 101.924,977 105.94,978 16.638,979 85.286,981 92.973,982 105.94,983 92.973,984 101.924,986 0.576,987 0.336,988 0.164,989 0.088,990 11,991 5,992 0.107,993 3,995 1,996 2.928,997 112.102,999 12,1000 61.487,1005 11.245,1006 4.727,1007 2.467,1009 92.973,1010 14.006,1015 0.705,1017 42.683,1018 300.837,1019 26,1024 23.643,1028 -1.118,1031 27.4,1032 29.704,1034 0.289,1035 0.509,1036 0.616,1037 0.776,1038 0.844,1039 0.86,1040 4.477,1041 0.49,1042 5.231,1043 2.136,1044 3.892,1045 4.533,1047 5.989,1048 3.908,1049 5.678,1050 -0.276,1051 6.77,1052 1.121,1053 3.434,1054 4.182,1056 6.83,1057 3.472,1058 6.966,1059 -0.751,1060 8.414,1061 -0.585,1062 5.434,1063 6.671,1065 9.909,1066 5.479,1067 8.291,1068 -1,1069 10.121,1070 -1.609,1071 5.802,1072 7.118,1074 11.579,1075 5.898,1076 9.646,1077 -1,1078 11.869,1079 -2.347,1080 7.273,1081 9.063,1083 14.187,1084 7.372,1085 11.025,1086 -1.219,1087 13.644,1088 -2.938,1089 8.019,1090 9.889,1092 16.192,1093 8.177,1094 12.421,1095 -1.381,1096 15.44,1097 -3,1098 9.272,1099 11.579,1101 18.629,1102 9.44,1103 3.04,1104 -1.688,1105 17.25,1106 -3.504,1107 10.201,1108 12.613,1110 20.786,1111 10.425,1112 2.565,1113 10.025,1114 19.072,1115 -4.789,1116 11.361,1117 14.165,1119 23.152,1120 11.606,1121 2.221,1122 7.619,1123 20.903,1124 3.93,1125 12.379,1126 15.322,1128 25.383,1129 12.674,1130 1.712,1131 5.991,1132 22.741,1133 3.573,1134 13.502,1135 16.794,1137 27.716,1138 13.824,1139 1.213,1140 4.285,1141 24.584,1142 3.032,1143 14.564,1144 18.028,1146 29.983,1147 14.93,1148 1,1149 2.844,1150 26.433,1151 2.431,1152 15.674,1153 19.452,1155 32.301,1156 16.071,1157 1,1158 2.275,1159 28.286,1160 1.768,1161 16.758,1162 20.733,1164 34.586,1165 17.194,1166 2302,1167 4278,1168 11.731,1169 19.171,1170 27.177,1171 28.622,1172 27.703,1173 26.594,1174 26.485,1175 37.053,1177 72.59,1178 26.697,1179 5.207,1180 5.836,1181 6.328,1182 5.073,1183 5.04,1184 6.93,1186 17.148,1187 5.137,1188 8.034,1189 1.51,1190 1.59,1191 1.539,1192 1.477,1193 1.471,1194 2.058,1196 4.033,1197 1.483,1198 3.979,1199 3.993,1200 3.934,1201 3.906,1202 7.497,1203 3.909,1204 3.854,1205 3.879,1206 3.788,1207 3.793,1208 7.352,1209 3.789,1210 3.403,1211 3.393,1212 3.366,1213 3.221,1214 6.471,1215 3.255,1216 2.924,1217 2.94,1218 2.852,1219 2.758,1220 4.726,1221 2.771,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 4.576,1227 2.715,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 2.62,1235 2.651,1236 2.501,1237 2.365,1238 3.674,1239 2.392,1240 2.304,1241 2.297,1242 2.222,1243 1.801,1244 3.585,1245 1.913,1246 0.244,1247 0.213,1248 0.363,1249 0.226,1250 0.169,1251 4.388,1252 0.218,1253 3.836,1255 6.526,1256 0.557,1257 4.073,1258 0.174,1259 3.04,1260 3.93,1262 10.025,1263 3.137,1264 1.939,1265 1.923,1266 2.036,1267 2.029,1268 1.103,1269 2.029,1270 1.856,1271 1.832,1272 1.972,1273 1.941,1274 1.038,1275 1.953,1276 1.289,1277 1.293,1278 1.364,1279 1.502,1280 0.347,1281 1.451,1282 0.886,1283 0.831,1284 1.181,1285 1.085,1286 0.218,1287 1.107,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.856,1295 0.821,1296 1.052,1297 1.062,1298 0.104,1299 1.063,1300 0.515,1301 0.483,1302 0.782,1303 0.846,1305 0.83,1306 0.034,1307 0.016,1308 0.533,1309 0.554,1311 0.529,1312 3.611,1314 4.89,1316 6.378,1318 7.948,1320 9.555,1327 9.098,1340 18.778,1341 37.105,1342 65.323,1343 79.098,1344 99.627,1345 108.382,1346 110.382,1347 35.636,1348 5.811,1349 54.37,1350 54.37,1351 12,1352 11.73,1353 3.907,1354 3.17,1355 28.417,1356 45,1357 45,1358 0.316,1359 118.846,1360 209.49,1361 281.744,1362 1932,1364 12.251,1365 0.721,1366 0.527,1367 12.251,1368 8.96,1369 8.182,1370 0.455,1371 0.284,1372 5.071,1373 7.984,1374 4.963,1375 4.135,1376 8.182,1377 5.114,1378 7.136,1379 0.297,1380 0.149,1381 7.136,1382 3.571,1383 6.027,1384 0.201,1385 0.079,1386 6.027,1387 2.372,1388 4.33,1389 0.127,1390 0.043,1391 4.33,1392 1.465,1393 3.348,1394 0.084,1395 0.024,1396 3.348,1397 0.941,1398 0.48,1399 50.821,1400 0.292,1401 17.132,1402 0.905,1403 84,1404 289.621,1405 90.311,1406 280.626,1407 366.43,1408 258,1409 96,1410 252.303,1411 102.423,1412 257.569,1413 371.5,1414 242,1415 4}
{0 CHEMBL425739,1 1.446,2 15.563,3 6.1,4 37.205,5 140.379,6 6.838,7 0.314,8 4.287,9 4.419,10 3.911,11 3.912,12 5.15,13 3.799,14 4.894,15 5.091,16 4.153,17 4.324,18 5.693,19 4.17,20 5.211,21 5.478,22 4.1,23 4.417,24 5.941,25 4.231,26 5.154,27 5.418,28 4.038,29 4.347,30 5.923,31 4.177,32 5.139,33 5.4,34 3.975,35 4.346,36 5.885,37 4.163,38 5.158,39 5.426,40 3.88,41 4.339,42 5.868,43 4.127,44 5.147,45 5.438,46 3.833,47 4.251,48 5.83,49 4.026,50 5.033,51 5.332,52 3.74,53 4.096,54 5.752,55 3.876,56 0.083,57 1.006,58 20.626,59 7.98,60 7.939,61 10.164,62 0.225,63 1.701,64 34.961,65 13.692,66 20.623,67 18.19,68 0.343,69 2.135,70 50.8,71 17.751,72 34.192,73 23.521,74 0.384,75 2.014,76 44.621,77 15.461,78 37.329,79 21.353,80 0.348,81 1.967,82 43.862,83 15.609,84 34.201,85 21.442,86 0.344,87 1.953,88 44.611,89 16.642,90 34.21,91 22.53,92 0.323,93 1.859,94 44.574,95 16.216,96 33.145,97 22.214,98 0.371,99 1.635,100 39.907,101 13.975,102 37.836,103 19.26,104 2,105 45,106 0.23,107 0.485,108 0.686,109 0.843,110 0.892,111 0.901,112 3.501,113 1.276,114 -5.11,115 -5,116 -4.69,121 37.7,123 12,127 3,129 1,144 4,145 2,146 1,148 2,160 1,176 13,180 5,183 1,185 5,187 13,192 5,197 5,200 8,206 4,209 1,211 7,214 10,219 2,224 3,227 15,232 2,236 1,239 17,244 2,249 1,251 13,256 1,259 1,261 3,264 8,274 3,277 4,281 1948,282 22.363,283 22.363,284 22.363,285 22.363,286 22.363,287 20.921,288 20.412,289 14.034,290 22.771,291 17.369,292 17.369,293 17.369,294 17.369,295 17.369,296 15.043,297 18.569,298 6.752,299 17.967,300 4.663,301 3.056,302 1.787,303 0.804,304 0.493,305 0.435,306 4.205,312 1,313 1093,314 4.123,317 107.801,318 245.256,322 281.669,325 2.457,326 19.398,329 1,330 0.67,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.83,337 66.5,338 498,339 4.64,340 4.08,341 6.829,342 4.207,343 3.226,344 4.564,345 1.907,346 11.348,347 3.162,348 3.914,349 3.574,350 5.982,351 3.524,352 2.545,353 3.437,354 0.4,355 8.37,356 2.512,357 3.661,358 3.361,359 5.381,360 3.468,361 2.532,362 2.893,363 0.149,364 6.998,365 2.398,366 3.538,367 3.354,368 5.353,369 3.378,370 2.376,371 2.829,373 6.711,374 2.296,375 3.522,376 2.669,377 5.034,378 3.135,379 2.181,380 2.54,382 6.09,383 2.078,384 2.94,385 2.356,386 4.116,387 2.788,388 1.798,389 2.142,391 3.719,392 1.779,393 2.828,394 1.906,395 3.976,396 2.531,397 1.561,398 1.837,400 3.336,401 1.513,402 2.61,403 1.691,404 3.789,405 2.508,406 1.521,407 1.638,409 3.329,410 1.492,411 2.568,412 1.659,413 3.671,414 2.345,415 1.347,416 1.565,418 3.199,419 1.343,420 2.489,421 1.504,422 3.594,423 2.295,424 1.33,425 1.488,427 2.902,428 1.278,429 2.367,430 1.43,431 3.568,432 2.242,433 1.247,434 1.357,436 2.831,437 1.24,438 2.136,439 1.35,440 3.362,441 2.023,442 1.107,443 1.124,445 2.394,446 0.991,447 1.985,448 1.131,449 3.19,450 1.838,451 0.866,452 0.937,454 1.972,455 0.837,456 1.653,457 1.084,458 3,459 1.58,460 0.618,461 0.618,463 1.372,464 0.586,465 1.618,466 0.763,467 2.909,468 1.476,469 0.515,470 0.562,472 1.14,473 0.492,474 16.2,475 0.506,476 0.448,477 0.014,478 31.25,479 0.977,480 12,481 0.375,482 19.25,483 0.602,484 38.41,485 1.2,486 36,487 0.522,488 16.875,489 0.527,490 4.084,491 0.128,492 11.725,493 0.366,494 0.021,496 0.216,501 0.765,502 1.184,503 0.739,504 0.929,505 0.552,506 1.034,507 0.73,508 1.225,509 1.008,510 1.112,511 0.548,512 1.137,513 1.085,514 1.054,515 1.044,516 1.013,517 0.969,518 0.957,519 1.33,520 0.981,521 0.914,522 0.884,523 1.243,524 0.964,525 1.335,526 0.975,527 0.961,528 0.924,529 1.266,530 1.023,531 1.106,532 0.971,533 0.96,534 0.979,535 1.202,536 1.088,537 0.877,538 0.991,539 0.783,540 0.93,541 1.089,542 1.006,543 0.972,544 0.939,545 0.713,546 0.843,547 1.289,548 0.92,549 3.5,550 0.098,551 2.444,552 1.535,553 1.325,554 0.462,555 0.397,556 0.214,557 0.136,558 0.082,559 18494,560 39230,561 2.139,562 53.6,563 12,564 11,567 2,568 4,569 6,570 2,572 1.735,573 2.087,574 3.816,575 0.146,582 99.772,583 1.446,584 3.053,585 4.321,586 5.304,587 5.616,588 5.674,589 3.163,590 4.164,591 4.972,592 4.12,593 2043.74,594 8.641,595 33995,600 421.488,601 0.947,602 4.968,603 0.1,604 0.004,605 0.054,606 0.035,607 0.032,608 0.012,609 0.012,610 0.007,611 0.005,612 0.004,613 0.266,614 0.17,615 0.75,616 0.313,617 175.549,618 0.015,619 0.014,620 0.193,621 0.125,622 0.042,623 0.057,624 0.082,625 -0.123,626 -0.04,627 -0.083,628 0.085,629 -0.095,630 -0.046,631 -0.051,632 -0.052,633 -0.036,634 -0.013,635 0.02,636 -0.095,637 0.027,638 -0.059,639 -0.01,640 -0.075,641 -0.018,642 -0.171,643 0.025,644 -0.109,645 -0.037,646 -0.125,647 -0.066,648 -0.098,649 -0.011,650 -0.122,651 -0.083,652 -0.119,653 -0.12,654 0.046,655 -0.09,656 0.024,657 -0.057,658 -0.023,659 -0.047,660 0.143,661 -0.049,662 0.09,663 0.006,664 0.033,665 0.018,666 1.438,667 5.035,668 0.594,669 38.914,670 0.983,671 1.125,672 3.878,673 15.038,674 0.662,675 3.584,676 3.829,677 4.078,678 4.331,679 4.522,680 4.575,681 4.691,682 4.771,683 4.812,684 4.673,685 9.437,686 0.596,687 471.8,688 3.584,689 5.081,690 5.905,691 6.751,692 7.598,693 8.459,694 9.32,695 10.191,696 11.062,697 11.941,698 4.3,703 1,705 1,708 1,714 2,715 4,716 1,720 3,722 11,734 1,741 69,743 12,744 1,745 35,747 72,748 26,749 9,750 2,751 4,756 4,757 7,767 6,770 13,772 10,773 16,777 1,782 1,786 1,793 37,794 4,795 2,796 6,797 2,802 3,808 0.5,809 1,822 1,828 1,829 3,833 2,843 1,859 2,861 1,862 2,868 32,876 15,877 2,879 2,880 1,893 1.4,896 1,901 15.333,902 11.867,903 7.278,904 4.892,907 2.414,908 1.312,909 0.974,910 9.767,911 10.158,912 3.75,913 4.227,914 4.758,915 5.328,916 5.895,917 6.213,918 6.585,919 6.92,920 7.21,921 7.02,922 0.9,923 44,924 11.967,926 4.983,927 0.026,929 7.391,931 24.287,933 20.628,936 1.891,937 60.5,941 411.989,942 151.915,943 52.807,945 25.145,947 60.363,948 91.551,949 437.133,950 52.807,952 53.536,953 37.905,954 64.646,955 13.416,957 472.352,959 411.989,960 144.358,961 25.145,962 60.363,964 317.82,965 119.314,968 58.437,969 51.125,970 34.796,971 60.363,972 411.989,973 77.952,974 151.915,977 411.989,978 114.01,979 37.905,980 36.022,981 41.93,982 411.989,983 77.952,984 151.915,986 0.555,987 0.317,988 0.178,989 0.093,990 19,991 7,992 0.167,993 12,994 2,995 1.211,996 4.689,997 265.585,998 0.211,999 19,1000 160,1001 2,1005 24.072,1006 12.984,1007 7.215,1008 2.366,1009 77.952,1010 8.516,1011 4.926,1015 4.043,1017 36.022,1018 641.855,1019 41.5,1024 12.035,1028 0.228,1031 67.807,1032 77.603,1034 0.237,1035 0.5,1036 0.707,1037 0.868,1038 0.919,1039 0.929,1040 4.961,1041 1.521,1042 5.826,1043 3.336,1044 4.511,1045 4.913,1046 1.997,1047 6.567,1048 4.45,1049 6.083,1050 1.347,1051 7.326,1052 3.329,1053 3.761,1054 4.605,1055 1.593,1056 7.357,1057 3.686,1058 7.346,1059 1.33,1060 8.938,1061 3.199,1062 6.009,1063 7.027,1064 2.907,1065 10.518,1066 5.896,1067 8.654,1068 1.247,1069 10.626,1070 2.902,1071 6.217,1072 7.712,1073 3.032,1074 12.286,1075 6.084,1076 10.01,1077 1.107,1078 12.367,1079 2.831,1080 7.813,1081 9.576,1082 4.038,1083 14.942,1084 7.657,1085 11.398,1086 0.866,1087 14.146,1088 2.394,1089 8.506,1090 10.717,1091 4.409,1092 17.099,1093 8.331,1094 12.814,1095 0.618,1096 15.954,1097 1.972,1098 9.827,1099 12.371,1100 5.25,1101 19.602,1102 9.635,1103 3.226,1104 0.515,1105 17.782,1106 1.372,1107 10.766,1108 13.721,1109 5.75,1110 21.917,1111 10.556,1112 2.545,1113 11.348,1114 19.627,1115 1.14,1116 11.978,1117 15.291,1118 6.501,1119 24.37,1120 11.752,1121 2.532,1122 8.37,1123 21.485,1124 4.564,1125 13.036,1126 16.734,1127 7.068,1128 26.75,1129 12.793,1130 2.376,1131 6.998,1132 23.353,1133 3.437,1134 14.21,1135 18.272,1136 7.771,1137 29.187,1138 13.95,1139 2.181,1140 6.711,1141 25.23,1142 2.893,1143 15.326,1144 19.756,1145 8.374,1146 31.594,1147 15.048,1148 1.798,1149 6.09,1150 27.113,1151 2.829,1152 16.489,1153 21.281,1154 9.051,1155 34.026,1156 16.194,1157 1.561,1158 3.719,1159 29.003,1160 2.54,1161 17.632,1162 22.784,1163 9.674,1164 36.445,1165 17.319,1166 17257,1167 25261,1168 24.326,1169 45.711,1170 49.953,1171 54.253,1172 50.787,1173 50.106,1174 50.127,1175 59.691,1176 4.912,1177 132.715,1178 48.551,1179 5.632,1180 6.08,1181 6.692,1182 5.248,1183 5.226,1184 7.564,1185 3.306,1186 18.879,1187 5.162,1188 7.693,1189 1.427,1190 1.55,1191 1.451,1192 1.432,1193 1.432,1194 1.705,1195 0.14,1196 3.792,1197 1.387,1198 4.114,1199 4.145,1200 4.233,1201 4.041,1202 7.429,1203 4.045,1204 3.833,1205 3.885,1206 4.072,1207 3.795,1208 4.972,1209 3.714,1210 3.738,1211 3.796,1212 3.667,1213 3.651,1214 4.413,1215 3.637,1216 3.73,1217 3.78,1218 3.617,1219 3.61,1220 4.282,1221 3.589,1222 3.621,1223 3.672,1224 3.514,1225 3.506,1226 4.218,1227 3.473,1228 3.438,1229 3.518,1230 3.329,1231 3.262,1232 4.14,1233 3.253,1234 3.288,1235 3.35,1236 3.191,1237 3.141,1238 3.979,1239 3.128,1240 3.183,1241 3.252,1242 3.056,1243 3.028,1244 3.933,1245 3.011,1246 0.133,1247 0.117,1248 0.195,1249 0.12,1250 0.092,1251 4.64,1252 0.13,1253 4.08,1254 0.054,1255 6.829,1256 0.324,1257 4.207,1258 0.09,1259 3.226,1260 4.564,1261 1.907,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.436,1269 2.163,1270 1.783,1271 1.728,1272 2.01,1273 1.96,1274 1.381,1275 1.978,1276 1.754,1277 1.709,1278 1.977,1279 1.891,1280 1.332,1281 1.926,1282 1.728,1283 1.664,1284 1.948,1285 1.872,1286 1.149,1287 1.901,1288 1.552,1289 1.497,1290 1.785,1291 1.749,1292 1.135,1293 1.767,1294 1.417,1295 1.341,1296 1.692,1297 1.629,1298 0.96,1299 1.663,1300 1.283,1301 1.234,1302 1.524,1303 1.479,1304 0.838,1305 1.508,1306 1.206,1307 1.15,1308 1.463,1309 1.374,1310 0.755,1311 1.409,1312 4.263,1314 5.525,1315 2.398,1316 6.984,1317 4.443,1318 8.551,1319 6.26,1320 10.189,1328 16.671,1329 6.85,1331 4.039,1332 0.826,1340 41.109,1341 99.772,1342 210.624,1343 298.165,1344 365.978,1345 387.488,1346 391.488,1347 56.622,1348 7.744,1349 54.02,1350 104.62,1351 23,1352 12.48,1353 3.7,1354 2.907,1355 52.572,1356 185,1357 174,1358 0.133,1359 259.674,1360 450.09,1361 625.365,1362 31514,1364 22.012,1365 0.688,1366 0.65,1367 22.719,1368 20.798,1369 15.81,1370 0.452,1371 0.425,1372 12.59,1373 14.623,1374 12.192,1375 10.069,1376 16.889,1377 14.886,1378 13.202,1379 0.293,1380 0.263,1381 14.47,1382 11.836,1383 10.91,1384 0.188,1385 0.165,1386 12.294,1387 9.561,1388 9.092,1389 0.121,1390 0.104,1391 10.499,1392 7.781,1393 7.09,1394 0.078,1395 0.051,1396 7.702,1397 4.664,1398 0.223,1399 106.293,1400 0.203,1401 31.316,1402 0.328,1403 160,1404 351.767,1405 208.934,1406 386.331,1407 532.67,1408 366,1409 183,1410 357.408,1411 230.594,1412 391.046,1413 567.61,1414 373,1415 7.416}
{0 CHEMBL426015,1 1.435,2 16.25,3 7.377,4 54.417,5 148.898,6 7.086,7 0.525,8 4.335,9 4.465,10 3.866,11 3.919,12 5.302,13 3.865,14 4.913,15 5.104,16 4.229,17 4.345,18 5.828,19 4.258,20 5.211,21 5.454,22 4.31,23 4.489,24 6.069,25 4.371,26 5.232,27 5.477,28 4.268,29 4.455,30 6.137,31 4.332,32 5.203,33 5.451,34 4.143,35 4.421,36 6.067,37 4.278,38 5.235,39 5.497,40 4.056,41 4.4,42 6.05,43 4.226,44 5.198,45 5.48,46 3.919,47 4.343,48 5.901,49 4.133,50 5.104,51 5.392,52 3.781,53 4.23,54 5.805,55 4.013,56 0.062,57 1.015,58 15.701,59 6.738,60 8.155,61 9.43,62 0.223,63 1.7,64 30.213,65 11.798,66 23.038,67 16.822,68 0.295,69 2.126,70 44.351,71 15.995,72 37.539,73 22.894,74 0.51,75 2.168,76 45.25,77 15.47,78 51.632,79 22.294,80 0.348,81 2.077,82 42.749,83 15.422,84 46.473,85 22.081,86 0.447,87 2.045,88 46.017,89 16.298,90 53.882,91 23.177,92 0.347,93 1.902,94 47.145,95 16.832,96 39.667,97 23.833,98 0.375,99 1.699,100 45.665,101 15.491,102 39.56,103 21.813,104 10,105 55,106 0.223,107 0.541,108 0.714,109 0.833,110 0.875,111 0.888,112 3.615,113 1.025,114 -5.53,115 -5.4,116 -5.04,121 42.3,123 9,126 1,127 2,144 7,145 4,146 2,148 2,153 1,154 1,160 1,176 15,180 8,183 1,185 5,187 18,192 6,197 5,200 12,205 1,206 6,209 2,211 7,214 12,219 3,224 5,227 12,232 4,237 4,239 17,244 3,251 17,256 3,260 1,264 17,269 2,277 13,281 2416,282 24.811,283 24.811,284 24.811,285 24.811,286 24.811,287 22.205,288 22.485,289 15.04,290 25.196,291 19.802,292 19.802,293 19.802,294 19.802,295 19.802,296 15.702,297 21.241,298 7.201,299 20.453,300 4.715,301 2.668,302 1.556,303 0.792,304 0.518,305 0.433,306 4.326,308 1,313 1299,314 4.123,317 90.14,318 383.856,321 167.353,322 313.308,325 2.208,326 23.427,329 0.5,330 0.67,331 0.67,332 0.7,333 0.5,334 0.83,335 1,336 0.7,337 75.333,338 585,339 4.665,340 3.609,341 6.833,342 4.214,343 3.235,344 4.623,345 1.058,346 11.364,347 3.165,348 4.651,349 3.373,350 6.817,351 4.205,352 3.225,353 4.582,354 0.4,355 11.248,356 3.164,357 3.99,358 3.036,359 6.004,360 3.58,361 2.61,362 3.534,364 8.477,365 2.532,366 3.815,367 2.943,368 5.851,369 3.444,370 2.456,371 3.184,373 7.793,374 2.417,375 3.584,376 2.562,377 5.427,378 3.193,379 2.252,380 2.961,382 6.886,383 2.103,384 3.365,385 2.272,386 4.992,387 2.903,388 1.986,389 2.699,391 5.573,392 1.874,393 3.337,394 2.021,395 4.899,396 2.87,397 1.915,398 2.691,400 5.386,401 1.813,402 3.018,403 1.932,404 4.338,405 2.849,406 1.871,407 2.175,409 4.087,410 1.704,411 2.88,412 1.77,413 4.121,414 2.622,415 1.645,416 1.895,418 3.749,419 1.605,420 2.692,421 1.738,422 3.979,423 2.457,424 1.467,425 1.742,427 3.408,428 1.446,429 2.639,430 1.516,431 3.829,432 2.413,433 1.415,434 1.689,436 3.262,437 1.407,438 2.538,439 1.434,440 3.624,441 2.249,442 1.257,443 1.535,445 3.015,446 1.246,447 2.487,448 1.346,449 3.584,450 2.17,451 1.193,452 1.486,454 2.763,455 1.162,456 2.246,457 1.203,458 3.541,459 2.081,460 1.101,461 1.213,463 2.537,464 1.073,465 2.14,466 1.043,467 3.382,468 1.833,469 0.858,470 1.027,472 2.016,473 0.831,474 17.648,475 0.49,476 0.73,477 0.02,478 42.75,479 1.188,480 20,481 0.556,482 22.75,483 0.632,484 37.16,485 1.032,486 38.752,487 0.546,488 30.298,489 0.842,490 7.618,491 0.212,492 9.996,493 0.278,494 0.088,496 0.306,501 0.737,502 1.28,503 0.744,504 1.022,505 0.559,506 0.976,507 0.769,508 1.157,509 0.803,510 0.988,511 0.52,512 0.984,513 0.898,514 1.08,515 0.851,516 0.951,517 0.784,518 0.918,519 1.072,520 1.033,521 0.898,522 0.976,523 1.138,524 0.989,525 1.141,526 1.078,527 0.909,528 1.025,529 1.163,530 1.06,531 1.197,532 0.984,533 0.962,534 1.006,535 1.431,536 1.066,537 0.912,538 0.949,539 1.071,540 1.036,541 0.924,542 1.057,543 0.978,544 0.857,545 1.247,546 1.04,547 0.917,548 1.036,549 5,550 0.119,551 3.778,552 2.889,553 2.058,554 0.837,555 0.619,556 0.324,557 0.232,558 0.167,559 25299,560 57223,561 2.137,562 49.3,563 12,564 14,565 1,567 2,568 2,569 4,572 1.764,573 2.038,574 3.866,575 0.093,582 101.9,583 1.435,584 3.482,585 4.594,586 5.357,587 5.632,588 5.717,589 3.194,590 4.781,591 5.151,592 4.137,593 2606.2,594 8.989,595 46939,600 436.632,601 1.256,602 5.118,603 0.125,604 0.005,605 0.069,606 0.05,607 0.039,608 0.018,609 0.016,610 0.01,611 0.008,612 0.006,613 0.345,614 0.33,615 0.63,616 0.442,617 203.652,618 -0.013,619 -0.08,620 0.037,621 0.005,622 0.01,623 0.03,624 0.042,625 -0.035,626 0.026,627 0.003,628 0.107,629 0.003,630 0.005,631 -0.059,632 0.069,633 0.03,634 0.05,635 0.066,636 0.064,637 0.011,638 -0.009,639 -0.031,640 0.011,641 -0.036,642 -0.107,643 -0.054,644 -0.069,645 -0.073,646 -0.045,647 -0.097,648 -0.104,649 -0.01,650 -0.071,651 -0.045,652 -0.132,653 -0.096,654 -0.06,655 -0.032,656 -0.049,657 -0.037,658 -0.08,659 -0.054,660 -0.053,661 0.044,662 -0.092,663 -0.027,664 -0.076,665 -0.029,666 1.648,667 5.65,668 0.639,669 40.111,670 0.989,671 1.124,672 4.297,673 18.466,674 0.669,675 3.714,676 4.025,677 4.331,678 4.635,679 4.883,680 4.942,681 5.024,682 5.106,683 5.088,684 4.963,685 9.829,686 0.621,687 503.14,688 3.714,689 5.252,690 6.111,691 6.995,692 7.877,693 8.772,694 9.665,695 10.565,696 11.463,697 12.366,698 5.6,703 1,705 1,706 1,708 1,714 4,715 8,716 1,720 5,721 1,722 21,729 1,734 1,740 1,741 71,743 22,744 2,745 40,747 75,748 30,749 17,750 5,751 7,752 1,756 5,757 9,758 1,767 4,770 9,772 18,773 12,777 1,782 1,786 1,793 35,794 4,795 2,796 6,797 1,802 4,808 0.4,809 1,822 1,824 1,828 1,829 4,832 1,833 2,859 2,864 1,865 1,868 36,876 11,877 2,892 1,893 1.4,896 1,901 17.667,902 12.876,903 7.972,904 4.834,907 4.14,908 1.492,909 1.011,910 8.133,911 12.547,912 3.961,913 4.582,914 5.236,915 5.886,916 6.461,917 6.793,918 7.133,919 7.471,920 7.586,921 7.477,922 1,923 58,924 13.382,926 5.679,927 0.026,929 7.508,931 26.512,933 22.429,936 2.008,937 72.278,941 388.446,942 140.324,943 54.706,944 39.149,945 25.145,948 140.324,949 452.74,950 54.706,951 8.396,952 45.033,953 75.381,954 64.646,955 24.574,956 13.915,957 376.675,958 39.149,959 388.446,960 195.03,961 25.145,962 39.149,964 341.362,965 72.229,968 51.833,969 108.401,970 73.945,972 388.446,973 79.851,974 179.472,977 388.446,978 56.546,979 85.677,980 36.022,981 81.079,982 388.446,983 79.851,984 179.472,986 0.572,987 0.339,988 0.195,989 0.112,990 26,991 11,992 0.133,993 10,994 3,995 1.261,996 4.88,997 331.196,998 0.261,999 23,1000 177.362,1005 25.106,1006 11.662,1007 5.735,1008 4.273,1009 77.952,1010 16.013,1011 4.916,1015 5.405,1016 2.012,1017 36.022,1018 647.77,1019 51.5,1024 12.65,1028 0.019,1031 70.196,1032 79.79,1034 0.233,1035 0.566,1036 0.747,1037 0.871,1038 0.916,1039 0.93,1040 5.194,1041 1.871,1042 6.08,1043 5.386,1044 4.71,1045 5.27,1046 1.27,1047 6.905,1048 4.649,1049 6.395,1050 1.645,1051 7.64,1052 4.087,1053 4.205,1054 5.165,1056 7.847,1057 4.092,1058 7.711,1059 1.467,1060 9.309,1061 3.749,1062 6.297,1063 7.56,1064 1.27,1065 11.013,1066 6.189,1067 9.071,1068 1.415,1069 11.047,1070 3.408,1071 6.686,1072 8.36,1074 12.851,1075 6.545,1076 10.473,1077 1.257,1078 12.83,1079 3.262,1080 8.209,1081 10.22,1082 1.34,1083 15.525,1084 8.064,1085 11.904,1086 1.193,1087 14.645,1088 3.015,1089 9.028,1090 11.427,1092 17.714,1093 8.859,1094 13.358,1095 1.101,1096 16.482,1097 2.763,1098 10.325,1099 13.082,1100 1.423,1101 20.225,1102 10.145,1103 3.235,1104 0.858,1105 18.335,1106 2.537,1107 11.342,1108 14.47,1110 22.554,1111 11.142,1112 3.225,1113 11.364,1114 20.201,1115 2.016,1116 12.553,1117 16.045,1118 1.51,1119 25.009,1120 12.338,1121 2.61,1122 11.248,1123 22.076,1124 4.623,1125 13.657,1126 17.512,1128 27.393,1129 13.422,1130 2.456,1131 8.477,1132 23.959,1133 4.582,1134 14.838,1135 19.056,1136 1.599,1137 29.829,1138 14.585,1139 2.252,1140 7.793,1141 25.848,1142 3.534,1143 15.979,1144 20.556,1146 32.236,1147 15.707,1148 1.986,1149 6.886,1150 27.742,1151 3.184,1152 17.151,1153 22.089,1154 1.69,1155 34.665,1156 16.86,1157 1.915,1158 5.573,1159 29.64,1160 2.961,1161 18.308,1162 23.604,1164 37.083,1165 17.997,1166 23222,1167 35117,1168 27.334,1169 47.518,1170 59.332,1171 60.888,1172 60.966,1173 59.421,1174 59.174,1175 76.69,1176 2.917,1177 168.141,1178 57.236,1179 5.632,1180 5.609,1181 6.742,1182 5.255,1183 5.235,1184 7.623,1185 2.117,1186 18.902,1187 5.165,1188 14.67,1189 1.483,1190 1.522,1191 1.524,1192 1.486,1193 1.479,1194 1.917,1195 0.073,1196 4.204,1197 1.431,1198 4.152,1199 4.184,1200 4.136,1201 4.068,1202 7.429,1203 4.074,1204 4.103,1205 4.132,1206 4.095,1207 4.03,1208 5.039,1209 4.036,1210 3.777,1211 3.843,1212 3.778,1213 3.665,1214 4.911,1215 3.65,1216 3.736,1217 3.78,1218 3.618,1219 3.641,1220 4.685,1221 3.624,1222 3.598,1223 3.669,1224 3.48,1225 3.424,1226 4.299,1227 3.425,1228 3.473,1229 3.531,1230 3.406,1231 3.336,1232 4.267,1233 3.331,1234 3.369,1235 3.444,1236 3.325,1237 3.192,1238 4.184,1239 3.187,1240 3.252,1241 3.304,1242 3.206,1243 3.079,1244 4.142,1245 3.088,1246 0.117,1247 0.09,1248 0.171,1249 0.105,1250 0.081,1251 4.665,1252 0.116,1253 3.609,1254 0.026,1255 6.833,1256 0.284,1257 4.214,1258 0.079,1259 3.235,1260 4.623,1261 1.058,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.149,1267 2.158,1268 1.437,1269 2.159,1270 1.94,1271 1.917,1272 2.038,1273 2.028,1274 1.386,1275 2.031,1276 1.784,1277 1.722,1278 2.025,1279 1.956,1280 1.176,1281 1.982,1282 1.75,1283 1.709,1284 1.926,1285 1.864,1286 1.159,1287 1.892,1288 1.64,1289 1.588,1290 1.843,1291 1.848,1292 1.121,1293 1.845,1294 1.539,1295 1.467,1296 1.762,1297 1.743,1298 0.871,1299 1.76,1300 1.322,1301 1.257,1302 1.581,1303 1.566,1304 0.807,1305 1.575,1306 1.23,1307 1.176,1308 1.462,1309 1.414,1310 0.75,1311 1.431,1312 4.394,1314 5.707,1315 2.398,1316 7.223,1317 4.844,1318 8.845,1319 7.034,1320 10.529,1322 1.982,1323 6.24,1328 11.927,1329 6.843,1340 44.057,1341 101.9,1342 247.233,1343 326.168,1344 380.367,1345 399.877,1346 405.877,1347 60.269,1348 8.407,1349 58.95,1350 58.95,1351 29,1352 12.887,1353 4.524,1354 3.644,1355 55.192,1356 223,1357 165,1358 0.117,1359 271.806,1360 463.76,1361 654.967,1362 74801,1363 1.4,1364 24.907,1365 0.692,1366 0.606,1367 25.407,1368 21.834,1369 17.614,1370 0.44,1371 0.342,1372 13.217,1373 16.936,1374 12.887,1375 10.693,1376 17.903,1377 13.666,1378 15.469,1379 0.281,1380 0.188,1381 15.877,1382 10.338,1383 13.204,1384 0.176,1385 0.101,1386 13.466,1387 7.543,1388 11.388,1389 0.112,1390 0.055,1391 11.623,1392 5.58,1393 9.57,1394 0.073,1395 0.031,1396 9.801,1397 4.074,1398 0.196,1399 111.414,1400 0.191,1401 34.109,1402 0.292,1403 190,1404 445.895,1405 215.311,1406 472.211,1407 652.67,1408 444,1409 225,1410 469.513,1411 245.578,1412 489.571,1413 721.98,1414 464,1415 7.963}
{0 CHEMBL426441,1 1.429,2 13.276,3 3.874,4 15.005,5 114.576,6 6.956,7 0.485,8 4.123,9 4.243,10 3.655,11 3.685,12 5.112,13 3.648,14 4.713,15 4.898,16 4.025,17 4.124,18 5.61,19 4.062,20 4.993,21 5.212,22 4.034,23 4.275,24 5.863,25 4.165,26 5.101,27 5.361,28 3.876,29 4.239,30 5.886,31 4.085,32 5.005,33 5.285,34 3.814,35 4.104,36 5.763,37 3.96,38 4.837,39 5.084,40 3.764,41 4.033,42 5.684,43 3.905,44 4.819,45 5.064,46 3.61,47 3.971,48 5.639,49 3.824,50 4.723,51 4.994,52 3.437,53 3.844,54 5.448,55 3.673,56 0.083,57 0.81,58 12.504,59 5.432,60 8.754,61 7.395,62 0.201,63 1.396,64 24.05,65 9.225,66 15.873,67 13.02,68 0.238,69 1.723,70 32.871,71 12.632,72 31.181,73 17.777,74 0.326,75 1.81,76 38.044,77 13.995,78 41.182,79 20.043,80 0.401,81 1.605,82 35.297,83 12.64,84 36.998,85 18.213,86 0.332,87 1.435,88 28.861,89 10.449,90 35.188,91 15.099,92 0.372,93 1.365,94 28.722,95 10.365,96 36.026,97 14.59,98 0.28,99 1.205,100 26.278,101 9.882,102 27.603,103 14.129,104 5,105 47,106 0.234,107 0.558,108 0.762,109 0.824,110 0.832,111 0.832,112 3.408,113 0.965,114 -4.56,115 -4.49,116 -4.22,121 42.9,123 5,124 1,126 1,127 3,144 7,145 3,146 1,148 1,154 1,160 1,168 1,176 13,179 1,180 11,187 14,192 12,200 10,206 9,214 6,218 2,219 8,227 10,231 1,232 3,239 12,243 2,244 3,251 11,255 1,256 4,264 8,269 3,277 6,281 1334,282 19.963,283 19.963,284 19.963,285 19.963,286 19.963,287 17.977,288 23.076,289 11.696,290 20.182,291 16.31,292 16.31,293 16.31,294 16.31,295 16.31,296 13.214,297 27.18,298 5.621,299 16.637,300 4.378,301 2.402,302 1.155,303 0.777,304 0.728,305 0.728,306 4.121,311 1,312 1,313 868,314 2.828,317 124.419,318 255.122,321 209.843,324 145.285,325 2.078,326 19.561,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 61.5,338 385,339 4.633,340 3.826,341 6.743,342 4.228,343 3.248,344 4.559,345 2.015,346 10.999,347 3.187,348 4.235,349 3.175,350 6.432,351 3.899,352 2.921,353 3.693,354 0.916,355 9.868,356 2.853,357 3.941,358 3.017,359 5.617,360 3.686,361 2.723,362 3.457,363 0.625,364 7.789,365 2.631,366 3.615,367 2.74,368 5.423,369 3.469,370 2.471,371 2.808,372 0.172,373 6.986,374 2.467,375 3.488,376 2.555,377 5.329,378 3.131,379 2.152,380 2.628,381 0.111,382 6.573,383 2.104,384 3.28,385 2.273,386 5.082,387 3.009,388 2.043,389 2.533,391 5.879,392 1.96,393 3.164,394 2.182,395 4.948,396 2.833,397 1.823,398 2.245,400 5.614,401 1.831,402 2.914,403 1.924,404 4.742,405 2.608,406 1.63,407 2.046,409 4.917,410 1.591,411 2.814,412 1.516,413 4.112,414 2.413,415 1.419,416 1.907,418 3.257,419 1.41,420 2.568,421 1.394,422 3.594,423 2.178,424 1.191,425 1.571,427 3.041,428 1.171,429 2.5,430 1.077,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.009,439 1,440 3.344,441 1.984,442 1,443 1,445 2.136,446 0.983,447 2,448 0.888,449 3.247,450 1.78,451 0.796,452 0.917,454 1.895,455 0.782,456 1.697,457 0.845,458 3.179,459 1.431,460 0.442,461 0.538,463 1.114,464 0.435,465 1.259,466 0.475,467 2.802,468 1.053,469 0.075,470 0.084,472 0.19,473 0.073,474 13.867,475 0.478,476 0.674,477 0.023,478 35,479 1.207,480 16,481 0.552,482 19,483 0.655,484 26.889,485 0.927,486 31.133,487 0.556,488 23.244,489 0.802,490 6.528,491 0.225,492 7.642,493 0.264,494 0.06,496 0.346,501 0.62,502 1.293,503 0.812,504 1.104,505 0.497,506 1.001,507 0.832,508 1.09,509 0.908,510 0.982,511 0.547,512 0.946,513 0.959,514 1.127,515 1.054,516 1.119,517 0.899,518 1.098,519 0.988,520 1.072,521 1.062,522 1.082,523 0.914,524 1.082,525 0.918,526 0.842,527 0.848,528 0.841,529 0.843,530 0.841,531 0.823,532 1.033,533 1.016,534 1.037,535 0.612,536 1.037,537 1.208,538 0.97,539 1.2,540 1.072,541 0.8,542 1.128,543 0.87,544 0.992,545 0.998,546 1.014,547 0.868,548 1.031,549 5.5,550 0.123,551 3.111,552 1.993,553 1.253,554 0.806,555 0.544,556 0.329,557 0.207,558 0.192,559 13175,560 28928,561 2.193,562 48.2,563 3,564 16,568 4,569 4,572 1.712,573 2.096,574 3.662,575 -0.819,577 1,582 80.036,583 1.429,584 3.406,585 4.653,586 5.03,587 5.08,588 5.08,589 3.112,590 4.418,591 4.829,592 3.852,593 1563.75,594 8.369,595 22085.1,597 1,599 1,600 325.212,601 1.247,602 4.809,603 0.167,604 0.006,605 0.066,606 0.044,607 0.035,608 0.023,609 0.016,610 0.012,611 0.009,612 0.008,613 0.387,614 0.33,615 0.88,616 0.434,617 150.349,618 0.151,619 -0.119,620 0.09,621 -0.029,622 0.074,623 0.01,624 0.021,625 0.035,626 0.035,627 0.027,628 0.053,629 0.035,630 -0.07,631 -0.098,632 -0.097,633 -0.116,634 0.005,635 -0.109,636 -0.064,637 -0.117,638 -0.081,639 -0.104,640 -0.031,641 -0.097,642 0.069,643 0.084,644 0.153,645 0.123,646 0.003,647 0.142,648 0.08,649 -0.028,650 -0.041,651 -0.064,652 0.07,653 -0.06,654 -0.075,655 0.008,656 -0.204,657 -0.103,658 -0.044,659 -0.161,660 0.026,661 -0.077,662 -0.017,663 -0.026,664 -0.063,665 -0.032,666 1.524,667 4.966,668 0.828,669 31.448,670 0.992,671 1.123,672 3.333,673 11.108,674 0.662,675 3.526,676 3.871,677 4.174,678 4.454,679 4.682,680 4.779,681 4.97,682 5.136,683 5.147,684 5.204,685 7.694,686 0.622,687 389.54,688 3.526,689 5.081,690 5.948,691 6.834,692 7.716,693 8.609,694 9.499,695 10.396,696 11.292,697 12.193,698 5.4,701 1,705 1,708 1,714 2,715 7,716 1,718 1,720 4,722 16,741 56,743 17,744 2,745 33,747 60,748 24,749 13,750 5,751 7,756 5,757 8,767 3,768 1,770 5,772 14,773 10,774 1,777 1,782 1,786 1,790 1,793 27,794 5,796 5,801 1,802 3,808 0.6,809 2,828 2,829 3,832 2,835 1,844 1,855 1,859 3,864 1,868 29,876 8,880 1,881 2,893 3.6,896 1,898 1,901 13.833,902 10.35,903 6.222,904 3.649,907 3.065,908 1.372,909 1.011,910 5.047,911 11.305,912 3.761,913 4.353,914 4.937,915 5.531,916 6.052,917 6.381,918 6.829,919 7.22,920 7.263,921 7.406,922 0.889,923 45,924 10.78,926 4.673,927 0.026,929 7.517,931 21.381,933 18.528,936 2.017,937 58.5,939 1,940 1,941 317.82,942 117.718,943 25.845,945 34.879,948 117.718,949 352.699,950 25.845,951 8.396,952 22.114,953 66.334,954 49.446,955 27.316,956 4.836,957 317.82,959 317.82,960 143.564,961 34.879,964 270.735,965 81.963,968 27.995,969 95.972,970 19.597,972 317.82,973 60.724,974 117.718,977 317.82,978 42.988,979 80.979,981 54.476,982 317.82,983 60.724,984 117.718,986 0.587,987 0.346,988 0.185,989 0.1,990 25,991 10,992 0.083,993 5,994 2,995 1.167,996 4.273,997 258.076,998 0.167,999 24,1000 132.881,1005 18.688,1006 7.833,1007 3.783,1008 1.867,1009 60.724,1010 14.815,1011 4.346,1013 5.58,1015 4.47,1018 496.262,1019 42,1024 11.966,1028 0.143,1031 55.563,1032 62.896,1034 0.246,1035 0.586,1036 0.801,1037 0.866,1038 0.875,1039 0.875,1040 5.017,1041 1.63,1042 5.932,1043 5.614,1044 4.554,1045 5.04,1046 2.314,1047 6.749,1048 4.516,1049 6.207,1050 1.419,1051 7.492,1052 4.917,1053 4.111,1054 4.832,1055 1.738,1056 7.624,1057 4.044,1058 7.509,1059 1.191,1060 9.149,1061 3.257,1062 6.155,1063 7.22,1064 3.192,1065 10.741,1066 6.076,1067 8.847,1068 1,1069 10.864,1070 3.041,1071 6.553,1072 7.895,1073 3.273,1074 12.475,1075 6.442,1076 10.221,1077 1,1078 12.617,1079 2.275,1080 8.047,1081 9.759,1082 4.394,1083 15.1,1084 7.925,1085 11.621,1086 0.796,1087 14.397,1088 2.136,1089 8.84,1090 10.861,1091 4.768,1092 17.203,1093 8.689,1094 13.042,1095 0.442,1096 16.198,1097 1.895,1098 10.115,1099 12.513,1100 5.706,1101 19.662,1102 9.951,1103 3.248,1104 0.075,1105 18.015,1106 1.114,1107 11.097,1108 13.827,1109 6.226,1110 21.923,1111 10.908,1112 2.921,1113 10.999,1114 19.846,1115 0.19,1116 12.287,1117 15.39,1118 7.061,1119 24.326,1120 12.082,1121 2.723,1122 9.868,1123 21.687,1124 4.559,1125 13.359,1126 16.807,1127 7.661,1128 26.654,1129 13.132,1130 2.471,1131 7.789,1132 23.538,1133 3.693,1134 14.519,1135 18.335,1136 8.437,1137 29.039,1138 14.275,1139 2.152,1140 6.986,1141 25.396,1142 3.457,1143 15.634,1144 19.802,1145 9.08,1146 31.397,1147 15.37,1148 2.043,1149 6.573,1150 27.261,1151 2.808,1152 16.787,1153 21.318,1154 9.824,1155 33.778,1156 16.505,1157 1.823,1158 5.879,1159 29.131,1160 2.628,1161 17.924,1162 22.808,1163 10.492,1164 36.15,1165 17.623,1166 11992,1167 17955,1168 22.77,1169 37.063,1170 50.078,1171 50.979,1172 50.656,1173 49.859,1174 49.863,1175 62.97,1176 7.679,1177 145.064,1178 48.957,1179 5.633,1180 5.826,1181 6.545,1182 5.264,1183 5.248,1184 7.559,1185 3.529,1186 18.03,1187 5.187,1188 10.217,1189 1.518,1190 1.545,1191 1.535,1192 1.511,1193 1.511,1194 1.908,1195 0.233,1196 4.396,1197 1.484,1198 4.137,1199 4.156,1200 4.107,1201 4.032,1202 7.427,1203 4.046,1204 3.95,1205 3.996,1206 3.864,1207 3.866,1208 5.254,1209 3.86,1210 3.825,1211 3.871,1212 3.719,1213 3.723,1214 4.756,1215 3.713,1216 3.702,1217 3.739,1218 3.643,1219 3.512,1220 4.474,1221 3.536,1222 3.396,1223 3.465,1224 3.254,1225 3.214,1226 4.32,1227 3.216,1228 3.167,1229 3.253,1230 3.016,1231 3.005,1232 3.964,1233 2.996,1234 3.111,1235 3.206,1236 2.915,1237 2.941,1238 3.883,1239 2.91,1240 3.089,1241 3.169,1242 2.866,1243 2.91,1244 3.769,1245 2.893,1246 0.14,1247 0.116,1248 0.204,1249 0.128,1250 0.098,1251 4.633,1252 0.138,1253 3.826,1254 0.061,1255 6.743,1256 0.333,1257 4.228,1258 0.097,1259 3.248,1260 4.559,1261 2.015,1262 10.999,1263 3.187,1264 1.949,1265 1.925,1266 2.105,1267 2.07,1268 1.487,1269 2.085,1270 1.922,1271 1.892,1272 2.025,1273 2.001,1274 1.232,1275 2.006,1276 1.83,1277 1.783,1278 1.98,1279 1.945,1280 1.153,1281 1.962,1282 1.525,1283 1.477,1284 1.737,1285 1.749,1286 1.01,1287 1.734,1288 1.469,1289 1.409,1290 1.698,1291 1.71,1292 0.829,1293 1.712,1294 1.228,1295 1.161,1296 1.513,1297 1.444,1298 0.825,1299 1.451,1300 1.153,1301 1.072,1302 1.488,1303 1.397,1304 0.704,1305 1.429,1306 1.126,1307 1.064,1308 1.42,1309 1.376,1310 0.599,1311 1.393,1312 4.205,1314 5.541,1315 3.045,1316 7.066,1317 5.476,1318 8.672,1319 7.609,1320 10.325,1322 1.844,1328 8.418,1332 0.743,1333 4.307,1340 34.815,1341 80.036,1342 190.715,1343 260.541,1344 281.702,1345 284.457,1346 284.457,1347 42.213,1348 8.24,1349 49.58,1350 49.58,1351 28,1352 12.716,1353 4.17,1354 3.322,1355 40.009,1356 136,1357 132,1358 0.142,1359 208.976,1360 358.72,1361 501.661,1362 50346,1364 19.794,1365 0.683,1366 0.584,1367 19.794,1368 16.934,1369 14.17,1370 0.429,1371 0.322,1372 10.497,1373 13.708,1374 10.237,1375 8.437,1376 14.17,1377 10.612,1378 12.933,1379 0.275,1380 0.18,1381 12.933,1382 8.48,1383 11.425,1384 0.179,1385 0.103,1386 11.425,1387 6.569,1388 9.477,1389 0.111,1390 0.056,1391 9.477,1392 4.731,1393 7.746,1394 0.072,1395 0.032,1396 7.746,1397 3.458,1398 0.231,1399 88.193,1400 0.21,1401 28.133,1402 0.37,1403 160,1404 398.406,1405 171.974,1406 386.456,1407 539.72,1408 364,1409 191,1410 411.941,1411 204.64,1412 415.253,1413 607.01,1414 391,1415 9.32}
{0 CHEMBL426562,1 1.494,2 9.429,3 3.258,4 10.617,5 82.325,6 7.577,7 0.522,8 3.706,9 3.819,10 3.291,11 3.295,12 4.838,13 3.272,14 4.22,15 4.382,16 3.645,17 3.673,18 5.327,19 3.632,20 4.454,21 4.648,22 3.726,23 3.759,24 5.7,25 3.703,26 4.463,27 4.671,28 3.52,29 3.669,30 5.606,31 3.578,32 4.415,33 4.663,34 3.313,35 3.48,36 5.548,37 3.381,38 4.117,39 4.355,40 3.177,41 3.319,42 5.205,43 3.244,44 3.961,45 4.146,46 3.171,47 3.304,48 5.158,49 3.238,50 3.987,51 4.205,52 2.982,53 3.218,54 5.108,55 3.115,56 0.012,57 0.516,58 7.006,59 3.304,60 5.336,61 4.221,62 0.136,63 0.85,64 13.137,65 5.463,66 12.238,67 7.216,68 0.247,69 1.011,70 18.054,71 6.982,72 47.712,73 9.394,74 0.189,75 1.003,76 18.679,77 7.019,78 37.158,79 9.381,80 0.304,81 0.9,82 19.749,83 6.644,84 55.085,85 8.919,86 0.19,87 0.692,88 14.146,89 4.861,90 33.258,91 6.521,92 0.101,93 0.596,94 10.909,95 4.389,96 21.944,97 5.635,98 0.134,99 0.584,100 12.023,101 4.673,102 29.316,103 6.096,104 11,105 32,106 0.269,107 0.589,108 0.736,109 0.833,110 0.856,111 0.856,112 3.103,113 0.911,114 -4.31,115 -4.24,116 -4.01,121 45.9,122 1,123 1,128 1,144 8,145 2,146 2,159 1,160 1,176 10,179 1,180 3,183 1,185 2,187 11,191 2,192 4,197 2,200 8,206 7,209 1,211 3,214 2,219 5,222 1,224 3,232 3,237 2,239 4,244 5,251 8,256 4,264 8,269 2,277 6,281 548,282 14.353,283 14.353,284 14.353,285 14.353,286 14.353,287 12.744,288 17.917,289 8.376,290 14.47,291 11.24,292 11.24,293 11.24,294 11.24,295 11.24,296 8.666,297 23.077,298 3.86,299 11.401,300 3.716,301 1.937,302 1.122,303 0.581,304 0.453,305 0.453,306 3.783,310 1,311 1,312 1,313 426,314 2.55,317 43.944,318 119.26,321 83.128,325 1.361,326 21.577,327 1,328 1,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 45,338 198,339 4.583,340 3.979,341 6.968,342 4.29,343 3.303,344 4.128,345 1.219,346 11.718,347 3.264,348 4.035,349 2.993,350 5.641,351 3.636,352 2.65,353 3.634,354 0.557,355 7.382,356 2.615,357 3.607,358 2.818,359 5.539,360 3.217,361 2.245,362 2.967,363 0.21,364 7.003,365 2.189,366 3.497,367 2.753,368 5.47,369 3.159,370 2.14,371 2.77,373 6.602,374 2.16,375 3.324,376 2.43,377 5.102,378 3.029,379 2.045,380 2.471,382 6.229,383 1.997,384 2.842,385 1.893,386 3.791,387 2.361,388 1.354,389 1.97,391 2.963,392 1.36,393 2.5,394 1.338,395 3.64,396 2.056,397 1.082,398 1.5,400 2.668,401 1.05,402 2.463,403 1.26,404 3.414,405 2,406 1,407 1.415,409 2.275,410 1,411 2.172,412 1,413 3.313,414 1.75,415 0.742,416 0.943,418 1.66,419 0.74,420 1.736,421 0.831,422 2.884,423 1.496,424 0.48,425 0.566,427 0.802,428 0.484,429 1.379,430 0.484,431 2.604,432 1.05,433 0.015,434 0.02,436 0.032,437 0.015,438 0.87,439 -0.018,440 2.352,441 0.52,442 -0.469,443 -0.588,445 -0.966,446 -0.462,447 0.698,448 -0.285,449 2.077,450 0.292,451 -0.715,452 -0.928,454 -1.67,455 -0.713,456 0.548,457 -0.741,458 2,459 0.087,460 -0.911,461 -1.289,463 -2.202,464 -0.909,465 0.5,466 -0.827,467 2,469 -1,470 -1.5,472 -3,473 -1,474 9.967,475 0.475,476 0.469,477 0.022,478 29.25,479 1.393,480 16,481 0.762,482 13.25,483 0.631,484 13.434,485 0.64,486 21.833,487 0.59,488 19.952,489 0.95,490 5.829,491 0.278,492 4.374,493 0.208,494 0.117,496 0.341,501 0.636,502 1.217,503 0.752,504 1,505 0.523,506 0.905,507 0.642,508 1.029,509 0.824,510 0.952,511 0.569,512 0.913,513 0.703,514 1.121,515 0.841,516 1.03,517 0.65,518 0.963,519 1.01,520 1.294,521 1.13,522 1.242,523 0.975,524 1.21,525 1.33,526 0.947,527 1.04,528 0.902,529 1.375,530 0.925,531 1.251,532 0.758,533 0.939,534 0.716,535 1.119,536 0.758,537 1.115,538 0.919,539 1.021,540 0.995,541 1.043,542 0.989,543 1.181,544 0.906,545 1.074,546 0.995,547 1.253,548 1.021,549 3.5,550 0.061,551 2.667,552 1.986,553 0.844,554 0.632,555 0.375,556 0.203,557 0.153,558 0.143,559 4408,560 11338,561 2.074,562 43.2,563 5,564 8,565 2,567 1,572 1.629,573 1.938,574 3.175,575 -0.338,577 1,579 1,582 55.263,583 1.494,584 3.273,585 4.088,586 4.628,587 4.757,588 4.757,589 2.661,590 3.975,591 4.364,592 3.318,593 696.871,594 7.463,595 7373.01,596 1,597 1,598 1,599 1,600 192.75,601 1.418,602 4.322,603 0.152,604 0.008,605 0.083,606 0.06,607 0.034,608 0.032,609 0.02,610 0.011,611 0.01,612 0.013,613 0.422,614 0.5,615 1,616 0.819,617 95.02,618 -0.03,619 -0.104,620 0.04,621 -0.012,622 -0.044,623 0.018,624 0.099,625 0.066,626 0.046,627 0.01,628 0.008,629 0.016,630 0.228,631 -0.102,632 0.101,633 -0.069,634 0.218,635 -0.012,636 -0.012,637 -0.297,638 -0.167,639 -0.292,640 -0.021,641 -0.263,642 -0.068,643 -0.005,644 0.018,645 0.045,646 -0.08,647 0.042,648 -0.158,649 0.232,650 0.079,651 0.235,652 -0.068,653 0.207,654 -0.126,655 0.074,656 -0.087,657 -0.013,658 -0.014,659 -0.032,660 -0.133,661 0.018,662 -0.088,663 -0.003,664 -0.103,665 -0.032,666 2.145,667 5.02,668 0.714,669 15.243,670 1.001,671 1.117,672 3.077,673 9.47,674 0.682,675 3.178,676 3.497,677 3.807,678 4.043,679 4.234,680 4.205,681 4.234,682 4.29,683 4.29,684 4.331,685 5.452,686 0.653,687 280.35,688 3.178,689 4.71,690 5.572,691 6.45,692 7.332,693 8.22,694 9.109,695 10.001,696 10.895,697 11.791,698 5.4,703 1,705 1,715 8,720 4,722 12,727 1,734 1,741 37,743 14,744 2,745 23,747 39,748 17,749 12,750 4,751 8,752 2,756 3,757 4,763 1,770 1,772 14,773 3,777 2,782 2,786 2,789 1,790 1,793 16,794 4,795 1,796 4,802 2,808 0.667,809 2,828 1,829 2,832 1,844 1,859 2,864 1,868 21,876 2,877 1,881 1,893 5.4,896 2,901 10.833,902 6.95,903 4.722,904 2.339,907 2.347,908 1.346,909 0.997,910 3.653,911 9.129,912 3.466,913 4.025,914 4.605,915 5.092,916 5.578,917 5.609,918 5.806,919 6.003,920 6.168,921 6.441,922 1,923 33,924 7.792,926 3.353,927 0.026,929 7.857,931 14.74,933 12.061,936 2.357,937 49.5,941 176.567,942 110.569,943 21.135,945 50.29,948 110.569,949 226.856,950 21.135,951 8.825,952 7.336,953 75.81,954 78.139,955 11.885,956 23.542,957 153.024,959 176.567,960 131.704,961 50.29,964 176.567,965 50.29,968 16.161,969 97.533,970 18.011,972 176.567,973 71.425,974 110.569,977 176.567,978 25.934,979 87.759,980 18.011,981 50.29,982 176.567,983 71.425,984 110.569,986 0.579,987 0.357,988 0.189,989 0.101,990 16,991 7,992 0.103,993 4,994 1,995 1.133,996 3.357,997 159.979,998 0.133,999 15,1000 88.239,1005 13.686,1006 5.605,1007 2.514,1009 71.425,1010 15.129,1015 3.339,1017 18.011,1018 358.561,1019 31,1024 23.903,1028 -0.914,1031 37.043,1032 41.322,1034 0.287,1035 0.628,1036 0.785,1037 0.888,1038 0.913,1039 0.913,1040 4.691,1041 1,1042 5.557,1043 2.668,1044 4.174,1045 4.71,1046 1.509,1047 6.389,1048 4.15,1049 5.887,1050 0.742,1051 7.133,1052 2.275,1053 3.761,1054 4.443,1055 0.325,1056 7.361,1057 3.734,1058 7.19,1059 0.48,1060 8.814,1061 1.66,1062 5.784,1063 6.849,1064 1.598,1065 10.492,1066 5.731,1067 8.532,1068 0.015,1069 10.558,1070 0.802,1071 6.236,1072 7.402,1073 0.705,1074 12.348,1075 6.182,1076 9.909,1077 -0.469,1078 12.343,1079 0.032,1080 7.718,1081 9.274,1082 1.817,1083 15.023,1084 7.641,1085 11.31,1086 -0.715,1087 14.158,1088 -0.966,1089 8.574,1090 10.217,1091 1.105,1092 17.251,1093 8.493,1094 12.733,1095 -0.911,1096 15.995,1097 -1.67,1098 9.856,1099 11.859,1100 2.087,1101 19.784,1102 9.757,1103 3.303,1104 -1,1105 17.85,1106 -2.202,1107 10.9,1108 13.008,1109 1.518,1110 22.16,1111 10.793,1112 2.65,1113 11.718,1114 19.72,1115 -3,1116 12.112,1117 14.537,1118 2.385,1119 24.646,1120 11.992,1121 2.245,1122 7.382,1123 21.603,1124 4.128,1125 13.239,1126 15.8,1127 1.94,1128 27.076,1129 13.108,1130 2.14,1131 7.003,1132 23.496,1133 3.634,1134 14.431,1135 17.27,1136 2.702,1137 29.546,1138 14.288,1139 2.045,1140 6.602,1141 25.399,1142 2.967,1143 15.594,1144 18.597,1145 2.365,1146 31.996,1147 15.44,1148 1.354,1149 6.229,1150 27.308,1151 2.77,1152 16.782,1153 20.037,1154 3.035,1155 34.46,1156 16.616,1157 1.082,1158 2.963,1159 29.223,1160 2.471,1161 17.961,1162 21.4,1163 2.791,1164 36.917,1165 17.783,1166 4313,1167 7061,1168 15.315,1169 25.25,1170 34.627,1171 36.403,1172 35.871,1173 34.182,1174 34.112,1175 44.772,1176 3.971,1177 98.668,1178 33.749,1179 5.507,1180 5.979,1181 6.646,1182 5.34,1183 5.303,1184 7.128,1185 2.319,1186 18.901,1187 5.264,1188 9.752,1189 1.506,1190 1.583,1191 1.56,1192 1.486,1193 1.483,1194 1.947,1195 0.173,1196 4.29,1197 1.467,1198 4.027,1199 4.054,1200 3.99,1201 3.928,1202 7.497,1203 3.937,1204 3.919,1205 3.949,1206 3.855,1207 3.856,1208 7.352,1209 3.852,1210 3.506,1211 3.569,1212 3.419,1213 3.321,1214 4.775,1215 3.337,1216 3.402,1217 3.451,1218 3.264,1219 3.237,1220 4.698,1221 3.236,1222 3.185,1223 3.246,1224 3.03,1225 2.96,1226 4.17,1227 2.969,1228 2.867,1229 2.933,1230 2.733,1231 2.735,1232 3.933,1233 2.715,1234 2.854,1235 2.925,1236 2.687,1237 2.716,1238 3.674,1239 2.708,1240 2.66,1241 2.744,1242 2.545,1243 2.496,1244 3.655,1245 2.476,1246 0.199,1247 0.173,1248 0.303,1249 0.187,1250 0.144,1251 4.583,1252 0.179,1253 3.979,1254 0.053,1255 6.968,1256 0.509,1257 4.29,1258 0.142,1259 3.303,1260 4.128,1261 1.219,1262 11.718,1263 3.264,1264 1.929,1265 1.898,1266 2.056,1267 2.029,1268 1.209,1269 2.039,1270 1.878,1271 1.855,1272 1.982,1273 1.957,1274 1.094,1275 1.967,1276 1.502,1277 1.453,1278 1.752,1279 1.754,1280 0.893,1281 1.74,1282 1.39,1283 1.339,1284 1.584,1285 1.607,1286 0.737,1287 1.614,1288 1.14,1289 1.087,1290 1.303,1291 1.388,1292 0.3,1293 1.369,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.22,1299 1.107,1300 0.845,1301 0.784,1302 1.088,1303 1.055,1304 0.218,1305 1.06,1306 0.773,1307 0.718,1308 1.065,1309 0.977,1310 0.144,1311 1.009,1312 3.85,1314 5.165,1315 2.398,1316 6.688,1317 4.949,1318 8.3,1319 7.195,1320 9.957,1322 2.105,1328 1.278,1329 3.183,1333 1.478,1340 24.16,1341 55.263,1342 121.098,1343 151.24,1344 171.24,1345 175.995,1346 175.995,1347 36.107,1348 6.782,1349 51.1,1350 51.1,1351 17,1352 12.317,1353 3.907,1354 3.17,1355 32.32,1356 68,1357 78,1358 0.235,1359 149.822,1360 262.24,1361 357.326,1362 7282,1364 14.82,1365 0.706,1366 0.562,1367 14.82,1368 11.797,1369 10.203,1370 0.444,1371 0.304,1372 6.911,1373 9.92,1374 6.735,1375 5.612,1376 10.203,1377 6.985,1378 8.867,1379 0.277,1380 0.155,1381 8.867,1382 4.965,1383 8.057,1384 0.183,1385 0.084,1386 8.057,1387 3.682,1388 6.376,1389 0.114,1390 0.043,1391 6.376,1392 2.434,1393 5.093,1394 0.075,1395 0.023,1396 5.093,1397 1.588,1398 0.367,1399 63.363,1400 0.256,1401 20.835,1402 0.648,1403 110,1404 319.449,1405 118.842,1406 310.887,1407 423.74,1408 290,1409 131,1410 309.484,1411 140.979,1412 314.646,1413 464.07,1414 297,1415 4}
{0 CHEMBL426674,1 1.486,2 9.667,3 3.965,4 15.721,5 88.274,6 7.567,7 0.444,8 3.885,9 3.977,10 3.474,11 3.418,12 4.971,13 3.416,14 4.45,15 4.581,16 3.897,17 3.835,18 5.578,19 3.819,20 4.673,21 4.831,22 3.911,23 3.957,24 5.707,25 3.913,26 4.769,27 4.981,28 3.716,29 3.865,30 5.776,31 3.786,32 4.597,33 4.822,34 3.623,35 3.633,36 5.705,37 3.578,38 4.37,39 4.557,40 3.395,41 3.415,42 5.514,43 3.388,44 4.108,45 4.277,46 3.388,47 3.394,48 5.295,49 3.352,50 4.197,51 4.376,52 3.286,53 3.439,54 5.379,55 3.363,56 0.043,57 0.573,58 8.607,59 4.248,60 6.856,61 5.05,62 0.46,63 0.944,64 17.424,65 7.29,66 36.611,67 8.934,68 0.263,69 1.173,70 22.236,71 9.085,72 27.715,73 11.206,74 0.476,75 1.233,76 27.342,77 9.469,78 44.404,79 12.138,80 0.433,81 1.006,82 23.568,83 7.985,84 47.531,85 10.47,86 0.586,87 0.761,88 19.229,89 5.909,90 55.376,91 6.894,92 0.299,93 0.664,94 12.983,95 5.023,96 30.205,97 6.408,98 0.4,99 0.732,100 14.524,101 5.178,102 45.909,103 6.579,104 10,105 40,106 0.259,107 0.617,108 0.796,109 0.876,110 0.892,111 0.892,112 3.229,113 0.893,114 -4.08,115 -4.03,116 -3.81,121 44.2,122 2,123 1,125 1,127 1,130 1,144 7,145 2,146 3,161 1,176 10,179 2,180 7,183 2,185 2,187 11,192 8,197 3,200 9,206 9,211 3,214 4,218 1,219 11,224 2,227 2,231 1,232 3,237 1,239 4,243 1,244 2,247 1,249 2,251 10,255 1,259 1,264 10,269 2,277 9,281 752,282 16.134,283 16.134,284 16.134,285 16.134,286 16.134,287 14.49,288 21.436,289 9.29,290 16.413,291 13.322,292 13.322,293 13.322,294 13.322,295 13.322,296 10.847,297 26.695,298 4.394,299 13.767,300 3.94,301 1.892,302 0.864,303 0.407,304 0.314,305 0.314,306 3.924,310 1,311 1,312 1,313 517,314 3.317,317 92.683,318 127.855,320 74.457,321 78.172,324 109.827,325 1.472,326 23.884,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 52.5,338 232,339 4.755,340 3.956,341 7.887,342 4.642,343 3.649,344 4.153,345 2.186,346 14.705,347 3.621,348 4.189,349 3.679,350 6.056,351 3.813,352 2.841,353 3.788,354 1.392,355 8.714,356 2.765,357 3.941,358 2.911,359 5.982,360 3.58,361 2.622,362 3.276,363 0.532,364 8.222,365 2.504,366 3.6,367 2.763,368 5.395,369 3.235,370 2.285,371 2.824,372 0.366,373 6.975,374 2.146,375 3.291,376 2.546,377 5.249,378 2.915,379 1.953,380 2.501,382 5.906,383 1.861,384 2.966,385 2.408,386 4.777,387 2.788,388 1.816,389 2.048,391 5.25,392 1.759,393 2.874,394 1.669,395 4.12,396 2.414,397 1.414,398 2.032,400 3.562,401 1.414,402 2.804,403 1.57,404 4.079,405 2.366,406 1.378,407 1.912,409 2.972,410 1.355,411 2.42,412 1.472,413 3.646,414 2.114,415 1.137,416 1.401,418 2.957,419 1.11,420 2.14,421 1.156,422 3.596,423 2.016,424 1.06,425 1.135,427 2.503,428 1.003,429 1.5,430 0.906,431 3.153,432 1.244,433 0.32,434 0.361,436 0.838,437 0.293,438 1.393,439 0.594,440 2.974,441 1.078,442 0.106,443 0.126,445 0.252,446 0.102,447 0.953,448 0.393,449 2.816,450 0.679,451 -0.273,452 -0.315,454 -0.719,455 -0.257,456 0.781,457 -0.069,458 2.431,459 0.406,460 -0.594,461 -0.703,463 -1.403,464 -0.582,465 0.61,466 -0.315,467 2.331,468 0.266,469 -0.717,470 -0.869,472 -1.883,473 -0.698,474 11.233,475 0.468,476 0.699,477 0.029,478 30.75,479 1.281,480 15,481 0.625,482 15.75,483 0.656,484 19.258,485 0.802,486 25.967,487 0.604,488 21.36,489 0.89,490 5.942,491 0.248,492 5.618,493 0.234,494 0.119,495 0.045,496 0.312,501 0.806,502 1.196,503 0.742,504 1.107,505 0.664,506 0.94,507 0.78,508 0.939,509 0.775,510 0.914,511 0.534,512 0.861,513 1.086,514 1.266,515 1.044,516 1.216,517 0.809,518 1.139,519 1.28,520 1.056,521 1.155,522 1.04,523 0.953,524 1.061,525 1.101,526 1.013,527 0.891,528 0.99,529 1.385,530 0.909,531 1.941,532 0.728,533 1.231,534 0.683,535 2.381,536 0.791,537 0.847,538 1.075,539 0.897,540 0.987,541 1.292,542 0.962,543 1.088,544 0.93,545 1.268,546 0.965,547 2.086,548 1.106,549 6,550 0.114,551 3.556,552 2.424,553 1.218,554 0.615,555 0.501,556 0.228,557 0.231,558 0.217,559 6776,560 17072,561 2.125,562 44.2,563 6,564 9,565 1,567 1,569 2,572 1.666,573 1.986,574 3.235,575 -0.342,577 1,582 63.908,583 1.486,584 3.534,585 4.562,586 5.019,587 5.112,588 5.112,589 2.62,590 4.502,591 4.562,592 3.41,593 941.05,594 7.853,595 11056.7,597 1,599 1,600 233.329,601 1.564,602 4.509,603 0.222,604 0.006,605 0.089,606 0.062,607 0.041,608 0.023,609 0.023,610 0.01,611 0.012,612 0.012,613 0.499,614 0.67,615 1,616 0.566,617 113.973,618 -0.036,619 -0.079,620 0.067,621 -0.056,622 -0.076,623 0.015,624 0.255,625 0.109,626 0.133,627 0.099,628 0.2,629 0.087,630 -0.109,631 -0.249,632 -0.123,633 -0.219,634 -0.042,635 -0.183,636 -0.179,637 -0.078,638 -0.148,639 -0.092,640 -0.055,641 -0.108,642 0.036,643 -0.07,644 0.148,645 -0.046,646 0.049,647 0.057,648 -0.27,649 0.207,650 -0.136,651 0.241,652 -0.36,653 0.107,654 0.144,655 -0.049,656 0.044,657 -0.002,658 0.092,659 -0.007,660 -0.043,661 0.14,662 -0.315,663 -0.016,664 -0.251,665 -0.181,666 2.174,667 5.153,668 0.75,669 18.083,670 1.008,671 1.118,672 2.851,673 8.129,674 0.667,675 3.332,676 3.714,677 4.025,678 4.317,679 4.5,680 4.543,681 4.71,682 4.771,683 4.787,684 4.875,685 5.912,686 0.642,687 325.39,688 3.332,689 4.905,690 5.784,691 6.696,692 7.595,693 8.513,694 9.424,695 10.346,696 11.264,697 12.19,698 2.3,705 1,715 7,720 5,722 12,737 1,739 1,741 43,743 13,744 2,745 27,747 46,748 19,749 12,750 5,751 7,756 4,757 7,763 2,764 1,766 1,767 1,770 1,772 13,773 6,777 1,782 1,786 1,790 1,793 19,794 5,795 1,796 5,802 1,808 0.5,809 4,815 1,828 2,829 2,831 1,832 1,835 1,858 1,859 2,864 2,868 24,876 2,877 1,878 3,880 1,882 1,893 9.3,896 1,897 1,898 2,901 12.083,902 8.333,903 5.097,904 2.576,907 2.2,908 1.296,909 0.976,910 3.74,911 9.644,912 3.555,913 4.143,914 4.663,915 5.2,916 5.678,917 5.782,918 6.103,919 6.356,920 6.451,921 6.682,922 1,923 39,924 8.901,926 3.891,927 0.026,929 7.733,931 17.019,933 14.408,936 2.233,937 53.583,940 1,941 211.88,942 117.848,943 18.011,945 58.145,948 117.848,949 270.024,950 18.011,951 17.65,952 25.138,953 66.693,954 36.145,955 41.615,956 18.534,957 200.109,959 211.88,960 135.859,961 58.145,964 188.338,965 70.687,966 11,967 0.36,968 42.788,969 92.711,972 211.88,973 76.155,974 117.848,977 212.239,978 33.504,979 83.984,980 18.011,981 58.145,982 211.88,983 76.155,984 117.848,986 0.596,987 0.356,988 0.193,989 0.099,990 22,991 9,992 0.065,993 3,994 2,995 1.222,996 3.64,997 202.695,998 0.222,999 18,1000 108.039,1005 15.486,1006 5.796,1007 2.693,1009 76.155,1010 13.016,1015 4.052,1017 18.011,1018 405.883,1019 34,1024 12.153,1028 -0.507,1031 43.363,1032 48.073,1034 0.274,1035 0.651,1036 0.841,1037 0.925,1038 0.942,1039 0.942,1040 4.836,1041 1.378,1042 5.82,1043 3.562,1044 4.394,1045 4.828,1046 2.637,1047 6.732,1048 4.334,1049 6.056,1050 1.137,1051 7.449,1052 2.972,1053 4.205,1054 4.705,1055 1.784,1056 8.085,1057 4.146,1058 7.391,1059 1.06,1060 9.201,1061 2.957,1062 6.125,1063 6.969,1064 3.7,1065 11.216,1066 6.025,1067 8.764,1068 0.32,1069 11.034,1070 2.503,1071 6.792,1072 7.617,1073 3.59,1074 13.487,1075 6.708,1076 10.174,1077 0.106,1078 12.924,1079 0.838,1080 8.249,1081 9.414,1082 5.007,1083 16.269,1084 8.14,1085 11.609,1086 -0.273,1087 14.857,1088 0.252,1089 9.288,1090 10.419,1091 5.289,1092 18.839,1093 9.192,1094 13.066,1095 -0.594,1096 16.822,1097 -0.719,1098 10.606,1099 12.019,1100 6.433,1101 21.548,1102 10.498,1103 3.649,1104 -0.717,1105 18.812,1106 -1.403,1107 11.795,1108 13.206,1109 6.93,1110 24.202,1111 11.693,1112 2.841,1113 14.705,1114 20.821,1115 -1.883,1116 13.079,1117 14.712,1118 7.922,1119 26.895,1120 12.97,1121 2.622,1122 8.714,1123 22.844,1124 4.153,1125 14.327,1126 15.995,1127 8.539,1128 29.574,1129 14.219,1130 2.285,1131 8.222,1132 24.877,1133 3.788,1134 15.608,1135 17.453,1136 9.444,1137 32.263,1138 15.495,1139 1.953,1140 6.975,1141 26.918,1142 3.276,1143 16.881,1144 18.791,1145 10.13,1146 34.948,1147 16.764,1148 1.816,1149 5.906,1150 28.966,1151 2.824,1152 18.166,1153 20.225,1154 10.985,1155 37.636,1156 18.043,1157 1.414,1158 5.25,1159 31.018,1160 2.501,1161 19.449,1162 21.594,1163 11.71,1164 40.324,1165 19.321,1166 6350,1167 10200,1168 18.087,1169 28.676,1170 41.522,1171 42.686,1172 42.716,1173 41.123,1174 41.163,1175 51.113,1176 8.951,1177 125.712,1178 39.865,1179 5.717,1180 5.956,1181 7.574,1182 5.733,1183 5.649,1184 7.153,1185 3.889,1186 22.9,1187 5.621,1188 10.413,1189 1.538,1190 1.581,1191 1.582,1192 1.523,1193 1.525,1194 1.893,1195 0.332,1196 4.656,1197 1.476,1198 4.056,1199 4.068,1200 4.007,1201 3.957,1202 7.435,1203 3.965,1204 3.924,1205 3.956,1206 3.862,1207 3.854,1208 4.963,1209 3.851,1210 3.661,1211 3.688,1212 3.578,1213 3.519,1214 4.759,1215 3.524,1216 3.368,1217 3.388,1218 3.316,1219 3.07,1220 4.617,1221 3.128,1222 3.169,1223 3.256,1224 2.965,1225 3.014,1226 4.256,1227 2.995,1228 3.108,1229 3.198,1230 2.897,1231 2.904,1232 3.95,1233 2.886,1234 2.979,1235 3.011,1236 2.863,1237 2.763,1238 3.897,1239 2.779,1240 2.804,1241 2.867,1242 2.671,1243 2.626,1244 3.868,1245 2.617,1246 0.176,1247 0.147,1248 0.292,1249 0.172,1250 0.135,1251 4.755,1252 0.154,1253 3.956,1254 0.081,1255 7.887,1256 0.545,1257 4.642,1258 0.134,1259 3.649,1260 4.153,1261 2.186,1262 14.705,1263 3.621,1264 1.917,1265 1.892,1266 2.036,1267 2.02,1268 1.31,1269 2.024,1270 1.891,1271 1.871,1272 1.998,1273 1.97,1274 1.135,1275 1.979,1276 1.584,1277 1.542,1278 1.792,1279 1.745,1280 0.97,1281 1.762,1282 1.306,1283 1.266,1284 1.589,1285 1.612,1286 0.787,1287 1.592,1288 1.213,1289 1.172,1290 1.553,1291 1.523,1292 0.604,1293 1.471,1294 1.183,1295 1.123,1296 1.317,1297 1.418,1298 0.386,1299 1.459,1300 0.906,1301 0.847,1302 1.244,1303 1.204,1304 0.27,1305 1.225,1306 0.796,1307 0.734,1308 1.078,1309 1.023,1310 0.148,1311 1.039,1312 4.007,1314 5.371,1315 3.045,1316 6.929,1317 5.533,1318 8.581,1319 7.735,1320 10.286,1322 4.053,1328 1.572,1329 2.765,1330 16.906,1332 -0.247,1334 -0.179,1340 27.622,1341 63.908,1342 151.973,1343 196.168,1344 215.82,1345 219.82,1346 219.82,1347 36.029,1348 7.444,1349 56.79,1350 56.79,1351 22,1352 12.697,1353 3.807,1354 3,1355 34.03,1356 86,1357 76,1358 0.195,1359 165.739,1360 293.7,1361 396.163,1362 17269,1364 16.734,1365 0.697,1366 0.569,1367 16.734,1368 13.666,1369 11.559,1370 0.428,1371 0.298,1372 7.91,1373 11.068,1374 7.678,1375 6.34,1376 11.559,1377 8.034,1378 10.975,1379 0.274,1380 0.162,1381 10.975,1382 6.475,1383 9.467,1384 0.172,1385 0.087,1386 9.467,1387 4.804,1388 8.053,1389 0.109,1390 0.045,1391 8.053,1392 3.298,1393 6.335,1394 0.071,1395 0.023,1396 6.335,1397 2.087,1398 0.305,1399 72.884,1400 0.235,1401 23.382,1402 0.532,1403 134,1404 403.275,1405 150.778,1406 376.111,1407 518.73,1408 354,1409 162,1410 388.072,1411 178.284,1412 387.293,1413 576.99,1414 364,1415 7.699}
{0 CHEMBL427082,1 1.421,2 17.73,3 7.662,4 58.705,5 153.152,6 6.989,7 0.512,8 4.372,9 4.504,10 3.887,11 3.958,12 5.326,13 3.9,14 4.951,15 5.14,16 4.237,17 4.383,18 5.852,19 4.285,20 5.266,21 5.519,22 4.286,23 4.511,24 6.09,25 4.38,26 5.258,27 5.511,28 4.217,29 4.469,30 6.101,31 4.331,32 5.239,33 5.499,34 4.101,35 4.441,36 6.025,37 4.283,38 5.248,39 5.518,40 4.088,41 4.425,42 6.01,43 4.246,44 5.241,45 5.522,46 4.023,47 4.36,48 6.033,49 4.167,50 5.125,51 5.405,52 3.867,53 4.236,54 5.919,55 4.041,56 0.073,57 1.053,58 16.628,59 7.106,60 8.227,61 9.982,62 0.207,63 1.757,64 31.521,65 12.669,66 22.128,67 18.031,68 0.351,69 2.211,70 47.302,71 16.806,72 40.784,73 24.172,74 0.465,75 2.205,76 46.66,77 15.89,78 48.571,79 23.108,80 0.381,81 2.128,82 44.755,83 16.105,84 41.808,85 23.25,86 0.354,87 2.074,88 46.287,89 17.089,90 39.421,91 24.517,92 0.465,93 1.97,94 49.187,95 17.267,96 50.296,97 24.356,98 0.38,99 1.718,100 46.373,101 15.305,102 48.076,103 21.464,104 5,105 55,106 0.219,107 0.528,108 0.706,109 0.845,110 0.883,111 0.895,112 3.641,113 1.041,114 -5.45,115 -5.33,116 -4.97,121 41.9,123 11,127 2,144 7,145 4,146 2,148 2,153 1,154 1,160 1,176 17,180 5,183 1,185 8,187 20,192 4,197 8,200 14,206 5,209 1,211 9,214 15,219 2,224 5,227 16,232 3,237 2,239 20,244 3,247 1,248 2,249 1,251 17,256 3,261 2,264 13,269 2,272 1,274 5,277 10,281 2781,282 25.673,283 25.673,284 25.673,285 25.673,286 25.673,287 23.049,288 23.493,289 15.722,290 26.011,291 20.317,292 20.317,293 20.317,294 20.317,295 20.317,296 16.208,297 21.474,298 7.541,299 20.898,300 4.788,301 2.787,302 1.635,303 0.73,304 0.486,305 0.405,306 4.353,308 1,313 1458,314 4.301,317 98.321,318 411.061,321 181.847,322 333.421,325 2.606,326 24.822,329 0.5,330 0.67,331 0.67,332 0.7,333 0.5,334 0.67,335 0.5,336 0.6,337 77.333,338 656,339 4.651,340 3.575,341 6.833,342 4.214,343 3.235,344 4.582,345 1.907,346 11.364,347 3.165,348 4.523,349 3.373,350 6.526,351 4.048,352 3.061,353 4.473,354 0.4,355 10.264,356 3.02,357 3.99,358 3.134,359 6.004,360 3.58,361 2.61,362 3.534,363 0.149,364 8.477,365 2.532,366 3.661,367 2.943,368 5.427,369 3.39,370 2.383,371 2.961,373 6.886,374 2.388,375 3.584,376 2.562,377 5.138,378 3.192,379 2.252,380 2.84,382 6.149,383 2.103,384 3.411,385 2.272,386 5.025,387 3.026,388 2.035,389 2.752,391 5.941,392 2.015,393 3.365,394 2.212,395 4.899,396 2.89,397 1.985,398 2.699,400 5.573,401 1.826,402 3.046,403 1.921,404 4.192,405 2.822,406 1.832,407 2.318,409 3.792,410 1.703,411 2.868,412 1.718,413 4.121,414 2.519,415 1.546,416 1.879,418 3.756,419 1.502,420 2.68,421 1.546,422 3.976,423 2.478,424 1.503,425 1.746,427 3.406,428 1.459,429 2.666,430 1.473,431 3.806,432 2.414,433 1.423,434 1.715,436 3.245,437 1.405,438 2.5,439 1.433,440 3.617,441 2.276,442 1.279,443 1.499,445 3.005,446 1.273,447 2.472,448 1.417,449 3.594,450 2.249,451 1.256,452 1.47,454 2.866,455 1.245,456 2.298,457 1.272,458 3.484,459 2.06,460 1.088,461 1.253,463 2.494,464 1.054,465 2.107,466 1.151,467 3.321,468 1.948,469 0.964,470 1.071,472 2.183,473 0.943,474 18.148,475 0.49,476 0.657,477 0.018,478 43,479 1.162,480 20,481 0.541,482 23,483 0.622,484 38.965,485 1.053,486 40.052,487 0.541,488 29.251,489 0.791,490 7.572,491 0.205,492 10.615,493 0.287,494 0.058,496 0.276,501 0.761,502 1.221,503 0.765,504 1.004,505 0.56,506 0.974,507 0.689,508 1.239,509 0.834,510 1.084,511 0.539,512 1.069,513 1.003,514 1.04,515 0.885,516 0.932,517 0.954,518 0.923,519 1.15,520 1.03,521 0.944,522 0.974,523 1.127,524 1.007,525 1.119,526 0.996,527 0.919,528 0.973,529 1.123,530 1.035,531 0.809,532 1.033,533 0.869,534 1.036,535 0.87,536 1.05,537 0.963,538 0.911,539 1.019,540 0.999,541 1.143,542 1,543 1.298,544 0.936,545 1.252,546 1.04,547 1.394,548 1.012,549 5,550 0.102,551 3.556,552 2.292,553 1.573,554 0.747,555 0.605,556 0.396,557 0.228,558 0.143,559 28810,560 63900,561 2.15,562 50,563 14,564 11,565 1,567 3,568 4,569 4,572 1.77,573 2.075,574 3.991,575 0.702,582 105.17,583 1.421,584 3.422,585 4.575,586 5.48,587 5.723,588 5.804,589 3.344,590 4.885,591 5.188,592 4.277,593 2848.43,594 9.06,595 53662.9,600 459.5,601 1.12,602 5.168,603 0.122,604 0.004,605 0.065,606 0.041,607 0.031,608 0.017,609 0.015,610 0.011,611 0.007,612 0.005,613 0.317,614 0.17,615 0.5,616 0.368,617 212.894,618 -0.032,619 -0.011,620 0.031,621 0.037,622 0.02,623 0.047,624 0.066,625 -0.124,626 -0.003,627 -0.072,628 0.092,629 -0.063,630 -0.037,631 -0.026,632 0.042,633 0.043,634 -0.021,635 0.057,636 -0.059,637 0.011,638 -0.05,639 -0.028,640 -0.074,641 -0.05,642 -0.136,643 0.02,644 -0.074,645 -0.021,646 -0.119,647 -0.068,648 0.028,649 -0.069,650 0.012,651 -0.059,652 0.009,653 -0.061,654 0.086,655 0.01,656 0.014,657 -0.013,658 0.026,659 -0.012,660 -0.095,661 -0.028,662 -0.077,663 -0.037,664 -0.063,665 -0.022,666 1.504,667 5.23,668 0.622,669 46.878,670 0.988,671 1.124,672 4.217,673 17.783,674 0.666,675 3.738,676 4.025,677 4.304,678 4.585,679 4.812,680 4.883,681 4.99,682 5.088,683 5.075,684 4.956,685 10.594,686 0.616,687 517.17,688 3.738,689 5.263,690 6.107,691 6.974,692 7.84,693 8.72,694 9.597,695 10.484,696 11.367,697 12.259,698 5.4,703 1,705 1,706 1,708 1,714 4,715 8,716 1,717 1,720 5,722 21,734 1,740 1,741 74,743 22,744 2,745 41,747 78,748 31,749 17,750 5,751 7,756 5,757 9,758 1,767 4,770 11,772 18,773 13,777 1,782 1,786 1,793 37,794 4,795 3,796 6,797 1,802 4,808 0.4,809 1,822 1,824 1,828 1,829 4,832 1,833 2,843 1,859 2,865 1,868 37,876 13,877 2,892 1,893 1.4,896 1,901 17.833,902 12.926,903 8.25,904 5.101,907 4.081,908 1.486,909 1.011,910 9.016,911 12.476,912 3.98,913 4.572,914 5.188,915 5.814,916 6.365,917 6.692,918 7.052,919 7.4,920 7.507,921 7.39,922 1,923 56,924 13.76,926 5.811,927 0.026,929 7.494,931 27.363,933 23.149,936 1.994,937 73.778,941 400.217,942 136.997,943 69.593,944 39.149,945 25.145,948 136.997,949 464.511,950 69.593,952 50.102,953 75.381,954 64.646,955 39.461,956 13.915,957 388.446,958 39.149,959 400.217,960 206.589,961 25.145,962 39.149,964 353.133,965 72.229,968 71.788,969 100.004,970 73.945,972 400.217,973 94.737,974 176.145,977 400.217,978 61.615,979 75.381,980 52.807,981 81.079,982 400.217,983 94.737,984 176.145,986 0.566,987 0.328,988 0.185,989 0.103,990 25,991 10,992 0.154,993 12,994 3,995 1.261,996 5.091,997 333.696,998 0.261,999 23,1000 192.75,1005 26.065,1006 12.798,1007 6.662,1008 4.597,1009 77.952,1010 16.442,1011 4.913,1012 3.309,1015 5.926,1017 52.807,1018 671.1,1019 52.5,1024 12.23,1028 0.163,1031 73.079,1032 83.205,1034 0.229,1035 0.551,1036 0.737,1037 0.882,1038 0.922,1039 0.935,1040 5.2,1041 1.832,1042 6.057,1043 5.573,1044 4.71,1045 5.26,1046 1.997,1047 6.843,1048 4.656,1049 6.382,1050 1.546,1051 7.589,1052 3.792,1053 4.111,1054 5.085,1055 1.593,1056 7.711,1057 4.016,1058 7.681,1059 1.503,1060 9.23,1061 3.756,1062 6.26,1063 7.513,1064 2.907,1065 10.86,1066 6.165,1067 9.025,1068 1.423,1069 10.941,1070 3.406,1071 6.567,1072 8.26,1073 3.032,1074 12.65,1075 6.444,1076 10.41,1077 1.279,1078 12.7,1079 3.245,1080 8.119,1081 10.135,1082 4.038,1083 15.3,1084 7.99,1085 11.824,1086 1.256,1087 14.493,1088 3.005,1089 8.874,1090 11.303,1091 4.409,1092 17.454,1093 8.724,1094 13.261,1095 1.088,1096 16.309,1097 2.866,1098 10.178,1099 12.961,1100 5.25,1101 19.943,1102 10.017,1103 3.235,1104 0.964,1105 18.145,1106 2.494,1107 11.15,1108 14.321,1109 5.75,1110 22.243,1111 10.969,1112 3.061,1113 11.364,1114 19.993,1115 2.183,1116 12.354,1117 15.891,1118 6.501,1119 24.678,1120 12.159,1121 2.61,1122 10.264,1123 21.853,1124 4.582,1125 13.426,1126 17.336,1127 7.068,1128 27.039,1129 13.211,1130 2.383,1131 8.477,1132 23.721,1133 4.473,1134 14.595,1135 18.87,1136 7.771,1137 29.457,1138 14.362,1139 2.252,1140 6.886,1141 25.597,1142 3.534,1143 15.712,1144 20.352,1145 8.374,1146 31.845,1147 15.459,1148 2.035,1149 6.149,1150 27.477,1151 2.961,1152 16.869,1153 21.872,1154 9.051,1155 34.259,1156 16.598,1157 1.985,1158 5.941,1159 29.362,1160 2.84,1161 18.007,1162 23.371,1163 9.674,1164 36.661,1165 17.715,1166 26359,1167 39445,1168 28.315,1169 49.279,1170 59.99,1171 61.367,1172 61.193,1173 60.062,1174 59.893,1175 77.185,1176 4.912,1177 165.507,1178 58.143,1179 5.624,1180 5.575,1181 6.722,1182 5.255,1183 5.235,1184 7.582,1185 3.306,1186 18.902,1187 5.165,1188 12.195,1189 1.463,1190 1.497,1191 1.493,1192 1.465,1193 1.461,1194 1.883,1195 0.12,1196 4.037,1197 1.418,1198 4.142,1199 4.175,1200 4.132,1201 4.064,1202 7.429,1203 4.068,1204 4.099,1205 4.129,1206 4.074,1207 4.027,1208 5.04,1209 4.031,1210 3.788,1211 3.851,1212 3.778,1213 3.664,1214 4.966,1215 3.65,1216 3.736,1217 3.78,1218 3.657,1219 3.635,1220 4.685,1221 3.624,1222 3.671,1223 3.73,1224 3.53,1225 3.529,1226 4.313,1227 3.521,1228 3.504,1229 3.578,1230 3.412,1231 3.344,1232 4.275,1233 3.34,1234 3.395,1235 3.455,1236 3.342,1237 3.248,1238 4.186,1239 3.245,1240 3.276,1241 3.344,1242 3.233,1243 3.15,1244 4.14,1245 3.135,1246 0.113,1247 0.087,1248 0.167,1249 0.103,1250 0.079,1251 4.651,1252 0.112,1253 3.575,1254 0.047,1255 6.833,1256 0.277,1257 4.214,1258 0.077,1259 3.235,1260 4.582,1261 1.907,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.149,1267 2.158,1268 1.437,1269 2.159,1270 1.942,1271 1.919,1272 2.048,1273 2.02,1274 1.365,1275 2.03,1276 1.775,1277 1.715,1278 2.015,1279 1.956,1280 1.295,1281 1.976,1282 1.75,1283 1.708,1284 1.927,1285 1.88,1286 1.153,1287 1.899,1288 1.707,1289 1.652,1290 1.917,1291 1.862,1292 1.103,1293 1.89,1294 1.527,1295 1.461,1296 1.774,1297 1.75,1298 1.056,1299 1.759,1300 1.411,1301 1.348,1302 1.615,1303 1.626,1304 0.767,1305 1.632,1306 1.26,1307 1.206,1308 1.487,1309 1.464,1310 0.752,1311 1.479,1312 4.419,1314 5.714,1315 2.398,1316 7.207,1317 4.727,1318 8.806,1319 6.823,1320 10.467,1323 6.238,1328 13.13,1329 6.83,1340 45.583,1341 105.17,1342 253.23,1343 338.545,1344 405.5,1345 423.5,1346 429.5,1347 63.297,1348 8.394,1349 69.81,1350 69.81,1351 29,1352 12.789,1353 4.524,1354 3.644,1355 57.569,1356 245,1357 203,1358 0.11,1359 281.398,1360 481.06,1361 678.372,1362 77367,1363 1.4,1364 25.451,1365 0.688,1366 0.603,1367 25.951,1368 22.301,1369 18.187,1370 0.444,1371 0.347,1372 13.797,1373 17.54,1374 13.505,1375 11.17,1376 18.475,1377 14.232,1378 15.731,1379 0.286,1380 0.193,1381 16.139,1382 10.621,1383 13.215,1384 0.181,1385 0.106,1386 13.477,1387 7.712,1388 11.253,1389 0.116,1390 0.059,1391 11.487,1392 5.678,1393 9.177,1394 0.075,1395 0.034,1396 9.409,1397 4.1,1398 0.185,1399 114.643,1400 0.188,1401 35.236,1402 0.269,1403 192,1404 442.583,1405 216.95,1406 469.531,1407 646.47,1408 442,1409 224,1410 460.668,1411 243.246,1412 478.972,1413 702.4,1414 456,1415 9.301}
{0 CHEMBL427232,1 1.417,2 11.036,3 4.484,4 20.104,5 110.926,6 6.764,7 0.387,8 4.122,9 4.259,10 3.614,11 3.645,12 5.089,13 3.604,14 4.731,15 4.941,16 3.956,17 4.061,18 5.665,19 3.995,20 5.038,21 5.291,22 3.962,23 4.235,24 5.908,25 4.11,26 5.098,27 5.376,28 3.898,29 4.255,30 5.84,31 4.097,32 5.114,33 5.397,34 3.965,35 4.29,36 5.819,37 4.144,38 5.124,39 5.384,40 3.977,41 4.322,42 5.961,43 4.168,44 5.152,45 5.444,46 3.863,47 4.203,48 5.971,49 4.028,50 4.985,51 5.301,52 3.643,53 3.839,54 6.001,55 3.711,56 0.021,57 0.971,58 13.146,59 5.569,60 5.588,61 7.709,62 0.208,63 1.604,64 25.756,65 8.802,66 23.726,67 12.876,68 0.403,69 1.971,70 36.102,71 12.823,72 47.654,73 18.149,74 0.302,75 1.904,76 38.098,77 14.166,78 41.85,79 20.508,80 0.308,81 1.888,82 38.423,83 13.663,84 34.223,85 20.604,86 0.449,87 2.058,88 38.951,89 14.668,90 44.087,91 21.107,92 0.247,93 2.047,94 40.678,95 14.997,96 43.306,97 21.433,98 0.559,99 1.882,100 37.302,101 11.205,102 81.949,103 15,104 5,105 42,106 0.235,107 0.451,108 0.56,109 0.643,110 0.692,111 0.727,112 3.375,113 1.005,114 -5.37,115 -5.25,116 -4.91,121 40.4,123 2,127 8,129 1,144 8,145 2,146 2,176 9,180 4,187 9,191 2,192 4,200 8,206 4,214 8,219 4,227 8,231 1,232 4,239 4,244 4,256 4,269 4,281 1416,282 19.223,283 19.223,284 19.223,285 19.223,286 19.223,287 17.72,288 26.171,289 11.504,290 19.687,291 15.314,292 15.314,293 15.314,294 15.314,295 15.314,296 13.182,297 32.476,298 5.51,299 16.107,300 4.415,301 3.105,302 2.448,303 1.948,304 1.649,305 1.439,306 4.073,311 1,312 1,313 674,314 2.915,317 94.31,318 302.342,325 1.753,326 24.836,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 60.5,338 309,339 4.341,340 3.557,341 6.783,342 4.117,343 3.147,344 3.829,345 1.277,346 11.165,347 3.055,348 3.929,349 2.939,350 5.471,351 3.547,352 2.618,353 3.535,354 0.8,355 7.29,356 2.427,357 3.731,358 2.905,359 5.348,360 3.467,361 2.501,362 3.024,363 0.8,364 6.884,365 2.412,366 3.593,367 2.863,368 5.332,369 3.408,370 2.476,371 2.625,372 0.494,373 6.791,374 2.304,375 3.441,376 2.747,377 5.149,378 3.235,379 2.306,380 2.509,382 6.316,383 2.13,384 3.239,385 2.27,386 4.927,387 2.835,388 1.907,389 2.473,391 5.619,392 1.761,393 3.03,394 2.172,395 4.845,396 2.815,397 1.857,398 2.069,400 5.382,401 1.759,402 2.5,403 1.385,404 3.659,405 2.27,406 1.295,407 1.5,409 2.806,410 1.259,411 2.5,412 1.146,413 3.497,414 2,415 1,416 1.5,418 2.275,419 1,420 2.301,421 1.027,422 3.414,423 2,424 1,425 1.3,427 2.275,428 1,429 2,430 1,431 3.414,432 1.967,433 1,434 1,436 2.275,437 0.965,438 1.86,439 1,440 3.414,441 1.676,442 0.716,443 0.789,445 1.84,446 0.683,447 1.618,448 0.744,449 3,450 1.591,451 0.618,452 0.618,454 1.372,455 0.6,456 1.5,457 0.693,458 2.971,459 1.396,460 0.443,461 0.465,463 1.085,464 0.419,465 1.125,466 0.443,467 2.407,468 0.733,469 -0.178,470 -0.218,472 -0.384,473 -0.156,474 13.271,475 0.474,476 0.571,477 0.02,478 30.25,479 1.08,480 12,481 0.429,482 18.25,483 0.652,484 26.868,485 0.96,486 31.729,487 0.557,488 22.046,489 0.787,490 5.999,491 0.214,492 7.688,493 0.275,494 0.043,496 0.279,499 2,501 0.59,502 1.239,503 0.829,504 1.21,505 0.48,506 1.094,507 0.875,508 1.019,509 1.008,510 1.001,511 0.493,512 1.004,513 0.919,514 0.916,515 1.082,516 1.016,517 0.741,518 1.059,519 0.614,520 0.868,521 0.899,522 1.005,523 0.554,524 1.007,525 0.438,526 0.689,527 0.812,528 0.856,529 0.253,530 0.885,531 0.55,532 0.824,533 1.002,534 1.087,535 0.555,536 1.122,537 0.618,538 1.055,539 0.855,540 1.126,541 0.603,542 1.059,543 1.836,544 1.235,545 1.057,546 0.833,547 1.924,548 0.806,549 5,550 0.1,551 2.889,552 1.472,553 1.312,554 0.496,555 0.754,556 0.564,557 0.158,558 0.229,559 10308,560 23994,561 2.137,562 50.9,564 25,569 4,572 1.712,573 2.049,574 3.401,575 -0.813,577 1,582 80.796,583 1.417,584 2.728,585 3.385,586 3.885,587 4.184,588 4.394,589 2.924,590 3.638,591 4.771,592 3.629,593 1371.84,594 8.313,595 18338.2,597 1,599 1,600 332.475,601 1.198,602 4.76,603 0.161,604 0.005,605 0.069,606 0.037,607 0.035,608 0.012,609 0.019,610 0.017,611 0.006,612 0.011,613 0.372,614 0.5,615 1,616 0.444,617 140.979,618 0.008,619 -0.179,620 0.067,621 -0.078,622 0.009,623 -0.014,624 -0.099,625 -0.036,626 -0.06,627 -0.009,628 0.05,629 -0.018,630 -0.069,631 0.037,632 -0.122,633 -0.035,634 0.01,635 -0.076,636 -0.002,637 -0.05,638 0.022,639 -0.016,640 0.007,641 0.001,642 0.006,643 0.036,644 0.089,645 0.098,646 0.022,647 0.109,648 0.074,649 0.031,650 -0.083,651 -0.088,652 0.001,653 -0.112,654 0.071,655 -0.238,656 0.082,657 -0.153,658 0.079,659 -0.061,660 -0.14,661 -0.047,662 0.055,663 0.081,664 -0.092,665 0.102,666 1.895,667 5.438,668 0.821,669 30,670 0.995,671 1.14,672 4.136,673 17.104,674 0.641,675 3.466,676 3.761,677 4.007,678 4.248,679 4.466,680 4.511,681 4.691,682 4.779,683 4.762,684 4.86,685 6.739,686 0.6,687 385.55,688 3.466,689 4.99,690 5.826,691 6.686,692 7.54,693 8.406,694 9.269,695 10.139,696 11.008,697 11.881,698 5.3,701 3,715 8,720 4,722 12,740 2,741 57,743 12,744 2,745 31,747 60,748 23,749 12,750 4,751 8,756 4,757 4,767 2,770 3,772 12,773 11,790 1,791 2,793 29,794 5,796 5,802 3,808 1,825 1,828 1,829 3,855 3,859 4,866 2,868 28,876 10,880 1,881 3,892 2,901 13.667,902 9.886,903 6.167,904 3.716,907 1.469,908 1.203,909 0.988,910 6.36,911 8.704,912 3.638,913 4.127,914 4.58,915 5.055,916 5.561,917 5.624,918 5.962,919 6.274,920 6.436,921 6.693,922 1,923 40,924 10.463,926 4.473,927 0.026,929 7.679,931 20.615,933 17.502,936 2.179,937 61,939 1,940 1,941 341.362,942 122.338,943 9.373,946 29.92,948 122.338,949 341.362,950 39.293,952 21.915,953 75.81,955 33.986,956 29.92,957 341.362,959 341.362,960 131.711,961 29.92,964 324.198,965 47.084,968 31.288,969 100.423,972 371.282,973 9.373,974 122.338,977 341.362,978 46.528,979 85.183,981 29.92,982 341.362,983 39.293,984 122.338,986 0.576,987 0.327,988 0.174,989 0.097,990 20,991 8,992 0.1,993 6,995 1,996 4.074,997 240.403,999 23,1000 104.606,1005 19.509,1006 9.129,1007 4.984,1009 39.293,1010 13.449,1015 1.652,1018 502.993,1019 37,1031 56.701,1032 64.987,1034 0.243,1035 0.468,1036 0.58,1037 0.666,1038 0.717,1039 0.753,1040 4.875,1041 1.295,1042 5.784,1043 5.382,1044 4.443,1045 4.812,1046 1.774,1047 6.544,1048 4.346,1049 6.012,1050 1,1051 7.306,1052 2.806,1053 3.892,1054 4.369,1055 1.182,1056 7.361,1057 3.687,1058 7.273,1059 1,1060 8.927,1061 2.275,1062 5.984,1063 6.8,1064 1.63,1065 10.451,1066 5.796,1067 8.561,1068 1,1069 10.609,1070 2.275,1071 6.275,1072 7.153,1073 1.552,1074 12.19,1075 6,1076 9.882,1077 0.716,1078 12.335,1079 2.275,1080 7.791,1081 9.074,1082 1.808,1083 14.808,1084 7.524,1085 11.224,1086 0.618,1087 14.094,1088 1.84,1089 8.486,1090 9.808,1091 1.918,1092 16.954,1093 8.159,1094 12.582,1095 0.443,1096 15.88,1097 1.372,1098 9.764,1099 11.497,1100 2.14,1101 19.43,1102 9.434,1103 3.147,1104 -0.178,1105 17.687,1106 1.085,1107 10.669,1108 12.448,1109 2.324,1110 21.744,1111 10.299,1112 2.618,1113 11.165,1114 19.513,1115 -0.384,1116 11.848,1117 14.006,1118 2.547,1119 24.176,1120 11.466,1121 2.501,1122 7.29,1123 21.355,1124 3.829,1125 12.865,1126 15.091,1127 2.762,1128 26.553,1129 12.453,1130 2.476,1131 6.884,1132 23.21,1133 3.535,1134 14.006,1135 16.567,1136 2.991,1137 28.972,1138 13.578,1139 2.306,1140 6.791,1141 25.076,1142 3.024,1143 15.081,1144 17.739,1145 3.22,1146 31.372,1147 14.628,1148 1.907,1149 6.316,1150 26.952,1151 2.625,1152 16.213,1153 19.163,1154 3.455,1155 33.786,1156 15.74,1157 1.857,1158 5.619,1159 28.836,1160 2.509,1161 17.319,1162 20.391,1163 3.691,1164 36.194,1165 16.821,1166 9713,1167 15017,1168 21.266,1169 36.552,1170 45.746,1171 46.058,1172 46.581,1173 46.007,1174 45.771,1175 54.474,1176 6.741,1177 126.75,1178 43.549,1179 5.341,1180 5.557,1181 6.414,1182 5.184,1183 5.147,1184 6.829,1185 1.967,1186 17.914,1187 5.055,1188 10.055,1189 1.476,1190 1.486,1191 1.503,1192 1.484,1193 1.476,1194 1.757,1195 0.217,1196 4.089,1197 1.405,1198 4.029,1199 4.07,1200 3.969,1201 3.947,1202 8.203,1203 3.947,1204 3.871,1205 3.937,1206 3.772,1207 3.751,1208 8.2,1209 3.75,1210 3.824,1211 3.852,1212 3.751,1213 3.702,1214 4.716,1215 3.703,1216 3.756,1217 3.827,1218 3.633,1219 3.574,1220 4.547,1221 3.578,1222 3.373,1223 3.453,1224 3.242,1225 3.191,1226 4.392,1227 3.188,1228 3.145,1229 3.206,1230 3.024,1231 2.998,1232 4.266,1233 2.995,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.838,1239 2.91,1240 2.869,1241 2.979,1242 2.725,1243 2.735,1244 3.674,1245 2.715,1246 0.14,1247 0.115,1248 0.219,1249 0.133,1250 0.102,1251 4.341,1252 0.124,1253 3.557,1254 0.041,1255 6.783,1256 0.36,1257 4.117,1258 0.099,1259 3.147,1260 3.829,1261 1.277,1262 11.165,1263 3.055,1264 1.98,1265 1.953,1266 2.087,1267 2.092,1268 1.367,1269 2.094,1270 1.812,1271 1.787,1272 1.964,1273 1.966,1274 1.211,1275 1.971,1276 1.765,1277 1.694,1278 1.923,1279 1.907,1280 1.21,1281 1.912,1282 1.577,1283 1.507,1284 1.86,1285 1.788,1286 1.09,1287 1.795,1288 1.549,1289 1.47,1290 1.791,1291 1.751,1292 0.99,1293 1.793,1294 1.219,1295 1.148,1296 1.513,1297 1.46,1298 0.825,1299 1.475,1300 1.153,1301 1.064,1302 1.508,1303 1.376,1304 0.804,1305 1.429,1306 1.07,1307 1.003,1308 1.299,1309 1.264,1310 0.54,1311 1.282,1312 4.143,1314 5.442,1315 2.398,1316 6.93,1317 4.443,1318 8.502,1319 6.26,1320 10.12,1324 26.876,1328 11.452,1332 0.03,1333 7.542,1340 34.206,1341 80.796,1342 155.481,1343 192.965,1344 221.455,1345 238.475,1346 250.475,1347 48.784,1348 7.235,1349 9.72,1350 9.72,1351 23,1352 12.423,1353 3.7,1354 2.807,1355 42.347,1356 107,1357 120,1358 0.184,1359 207.036,1360 364.52,1361 496.927,1362 12327,1363 3.5,1364 19.347,1365 0.691,1366 0.584,1367 17.606,1368 16.365,1369 13.687,1370 0.442,1371 0.335,1372 10.242,1373 13.141,1374 10.073,1375 8.247,1376 12.899,1377 10.386,1378 12.126,1379 0.289,1380 0.189,1381 10.882,1382 7.932,1383 10.103,1384 0.187,1385 0.112,1386 9.282,1387 6.075,1388 8.128,1389 0.118,1390 0.064,1391 7.825,1392 4.438,1393 6.609,1394 0.077,1395 0.035,1396 6.138,1397 3.031,1398 0.288,1399 85.652,1400 0.217,1401 26.914,1402 0.505,1403 146,1404 445.158,1405 160.239,1406 381.214,1407 506.78,1408 358,1409 169,1410 356.357,1411 183.063,1412 350.387,1413 512.9,1414 331,1415 7.678}
{0 CHEMBL427249,1 1.353,2 15,3 5.769,4 33.279,5 120.021,6 7.045,7 0.545,8 4.12,9 4.227,10 3.649,11 3.699,12 5.163,13 3.663,14 4.663,15 4.829,16 3.967,17 4.072,18 5.648,19 4.015,20 4.926,21 5.128,22 4.035,23 4.192,24 5.888,25 4.108,26 4.986,27 5.225,28 3.931,29 4.131,30 5.964,31 4.021,32 4.875,33 5.114,34 3.752,35 4.067,36 5.759,37 3.936,38 4.848,39 5.104,40 3.623,41 4.011,42 5.675,43 3.848,44 4.766,45 5.032,46 3.488,47 3.9,48 5.509,49 3.728,50 4.675,51 4.937,52 3.39,53 3.755,54 5.466,55 3.605,56 0.028,57 0.73,58 12.143,59 5.681,60 7.448,61 7.343,62 0.16,63 1.229,64 22.681,65 9.229,66 18.829,67 12.146,68 0.239,69 1.518,70 30.901,71 12.305,72 33.615,73 16.245,74 0.541,75 1.578,76 34.384,77 12.72,78 59.968,79 17.242,80 0.288,81 1.437,82 30.18,83 11.696,84 40.921,85 15.899,86 0.398,87 1.388,88 29.64,89 11.714,90 42.719,91 16.273,92 0.181,93 1.267,94 27.212,95 11.061,96 27.258,97 15.38,98 0.301,99 1.125,100 25.625,101 9.537,102 35.232,103 12.897,104 5,105 44,106 0.221,107 0.505,108 0.691,109 0.836,110 0.881,111 0.881,112 3.439,113 0.956,114 -5.05,115 -4.95,116 -4.64,121 45.6,123 3,126 1,127 3,144 12,145 3,146 3,159 1,176 14,180 11,187 15,192 10,200 8,205 2,206 11,214 9,219 2,227 12,231 2,232 3,239 13,244 3,251 8,256 6,264 6,269 4,277 5,281 1564,282 20.69,283 20.69,284 20.69,285 20.69,286 20.69,287 18.434,288 21.798,289 12.69,290 21.017,291 16.349,292 16.349,293 16.349,294 16.349,295 16.349,296 12.958,297 28.386,298 6.115,299 16.874,300 4.48,301 2.74,302 1.595,303 0.708,304 0.434,305 0.434,306 4.142,312 1,313 988,314 3.674,318 340.847,322 252.573,325 2.2,326 22.916,329 1,330 1,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.88,337 63.5,338 450,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 0.916,346 11.061,347 3.18,348 4.048,349 2.995,350 6.011,351 3.613,352 2.643,353 3.676,354 0.86,355 8.529,356 2.563,357 3.927,358 2.943,359 5.484,360 3.597,361 2.625,362 3.455,363 0.86,364 7.392,365 2.559,366 3.617,367 2.82,368 5.407,369 3.233,370 2.271,371 2.964,372 0.172,373 6.913,374 2.172,375 3.311,376 2.495,377 5.124,378 3.115,379 2.163,380 2.504,382 6.04,383 2.05,384 3.292,385 2.367,386 4.819,387 2.951,388 2.013,389 2.364,391 5.518,392 1.865,393 2.906,394 1.807,395 4.125,396 2.666,397 1.685,398 2.081,400 3.484,401 1.648,402 2.858,403 1.642,404 3.78,405 2.433,406 1.442,407 1.969,409 3.383,410 1.424,411 2.718,412 1.522,413 3.709,414 2.403,415 1.411,416 1.811,418 3.077,419 1.397,420 2.683,421 1.374,422 3.576,423 2.243,424 1.257,425 1.695,427 3.012,428 1.236,429 2.5,430 1.301,431 3.492,432 2.014,433 1.06,434 1.5,436 2.291,437 1.003,438 2.428,439 1.269,440 3.247,441 2,442 1,443 1.305,445 2.136,446 1,447 2.09,448 1,449 3.247,450 1.854,451 0.83,452 1.054,454 1.955,455 0.844,456 1.464,457 0.596,458 2.911,459 1.27,460 0.33,461 0.353,463 0.744,464 0.307,465 1.374,466 0.496,467 2.825,468 0.967,474 14.4,475 0.48,476 0.554,477 0.018,478 39,479 1.3,480 20.5,481 0.683,482 18.5,483 0.617,484 24.029,485 0.801,486 31.8,487 0.558,488 27.746,489 0.925,490 7.717,491 0.257,492 6.987,493 0.233,494 0.058,496 0.271,501 0.755,502 1.206,503 0.819,504 1.094,505 0.597,506 0.984,507 1.106,508 1.03,509 0.966,510 1.003,511 0.686,512 0.96,513 1.199,514 1.091,515 0.977,516 1.061,517 0.873,518 1.002,519 1.103,520 0.923,521 0.941,522 0.9,523 1.077,524 0.898,525 1.105,526 0.977,527 1.05,528 0.981,529 1.229,530 1.002,531 0.712,532 0.934,533 1.007,534 0.994,535 0.595,536 1.03,537 0.699,538 1.057,539 0.957,540 1.087,541 0.509,542 1.062,543 1.344,544 0.883,545 1.033,546 0.874,547 1.064,548 0.914,549 4.5,550 0.124,551 2.444,552 1.813,553 1.622,554 0.583,555 0.422,556 0.177,557 0.18,558 0.102,559 15103,560 34499,561 2.128,562 47.4,563 2,564 21,569 4,572 1.717,573 2.045,574 3.829,575 -0.858,582 77.126,583 1.353,584 3.093,585 4.238,586 5.125,587 5.399,588 5.399,589 3.244,590 4.44,591 4.88,592 4.029,593 1752.8,594 8.451,595 27016.6,600 332.475,601 1.159,602 4.862,603 0.136,604 0.006,605 0.056,606 0.04,607 0.042,608 0.018,609 0.015,610 0.007,611 0.008,612 0.005,613 0.333,614 0.33,615 1,616 0.424,617 160.311,618 0.016,619 -0.113,620 0.066,621 -0.051,622 -0.006,623 0.002,624 -0.075,625 0.049,626 -0.014,627 -0.015,628 0.017,629 -0.002,630 -0.042,631 -0.094,632 0.01,633 -0.076,634 0.055,635 -0.034,636 0.142,637 0.055,638 0.082,639 0.059,640 0.167,641 0.064,642 -0.095,643 0.007,644 -0.059,645 -0.009,646 -0.091,647 -0.025,648 0.132,649 0.03,650 -0.026,651 -0.015,652 0.067,653 -0.036,654 0.037,655 -0.12,656 0.016,657 -0.099,658 0.024,659 -0.053,660 -0.127,661 0.051,662 -0.003,663 0.089,664 -0.109,665 0.061,666 1.668,667 5.597,668 0.667,669 35.609,670 0.992,671 1.114,672 3.825,673 14.63,674 0.671,675 3.526,676 3.807,677 4.06,678 4.317,679 4.554,680 4.595,681 4.7,682 4.812,683 4.883,684 4.787,685 8.758,686 0.632,687 401.54,688 3.526,689 5.043,690 5.878,691 6.737,692 7.59,693 8.461,694 9.326,695 10.204,696 11.077,697 11.961,698 1.8,701 1,715 12,720 6,722 18,727 1,739 2,741 57,743 19,744 3,745 33,747 60,748 26,749 18,750 6,751 12,752 1,756 4,757 7,770 3,772 19,773 7,777 1,782 1,786 1,793 27,794 4,796 4,802 1,808 0.5,809 3,829 4,833 2,855 1,859 2,864 1,868 30,876 6,878 2,881 1,893 5.3,896 1,898 2,901 14.667,902 10.45,903 6.694,904 3.581,907 3.233,908 1.415,909 0.985,910 6.705,911 11.027,912 3.784,913 4.324,914 4.873,915 5.42,916 5.95,917 6.115,918 6.467,919 6.824,920 7.145,921 7.315,922 0.9,923 45,924 11.129,926 4.666,927 0.026,929 7.589,931 21.668,933 17.707,936 2.089,937 62.667,941 317.82,942 168.939,943 3.124,945 47.145,948 168.939,949 364.964,950 3.124,951 8.396,952 16.407,953 113.715,954 30.278,955 50.411,957 317.82,959 317.82,960 172.064,961 47.145,964 270.735,965 94.229,968 19.532,969 152.532,972 317.82,973 50.269,974 168.939,977 317.82,978 46.828,979 125.236,981 47.145,982 317.82,983 50.269,984 168.939,986 0.567,987 0.325,988 0.18,989 0.099,990 20,991 8,992 0.15,993 9,994 2,995 1.2,996 4.426,997 249.419,998 0.2,999 20,1000 141.207,1005 20.492,1006 9.816,1007 5.241,1009 50.269,1010 23.339,1015 4.449,1018 537.028,1019 43,1024 12.597,1028 -0.002,1031 56.571,1032 63.524,1034 0.232,1035 0.53,1036 0.727,1037 0.879,1038 0.926,1039 0.926,1040 4.994,1041 1.442,1042 5.826,1043 3.484,1044 4.489,1045 5.011,1046 1.698,1047 6.592,1048 4.431,1049 6.161,1050 1.411,1051 7.348,1052 3.383,1053 3.892,1054 4.605,1055 0.325,1056 7.398,1057 3.806,1058 7.436,1059 1.257,1060 8.976,1061 3.077,1062 6.023,1063 7.121,1064 1.422,1065 10.536,1066 5.917,1067 8.748,1068 1.06,1069 10.67,1070 3.012,1071 6.293,1072 7.574,1073 0.393,1074 12.239,1075 6.177,1076 10.097,1077 1,1078 12.41,1079 2.291,1080 7.848,1081 9.532,1082 1.2,1083 14.89,1084 7.713,1085 11.473,1086 0.83,1087 14.182,1088 2.136,1089 8.558,1090 10.416,1091 0.384,1092 16.977,1093 8.423,1094 12.872,1095 0.33,1096 15.979,1097 1.955,1098 9.864,1099 12.112,1100 1.01,1101 19.467,1102 9.715,1103 3.215,1105 17.795,1106 0.744,1107 10.801,1108 13.23,1109 0.351,1110 21.726,1111 10.653,1112 2.643,1113 11.061,1114 19.626,1116 12.004,1117 14.792,1118 0.845,1119 24.158,1120 11.846,1121 2.625,1122 8.529,1123 21.469,1124 4.198,1125 13.055,1126 16.041,1127 0.312,1128 26.494,1129 12.895,1130 2.271,1131 7.392,1132 23.323,1133 3.676,1134 14.221,1135 17.533,1136 0.702,1137 28.907,1138 14.052,1139 2.163,1140 6.913,1141 25.185,1142 3.455,1143 15.327,1144 18.857,1145 0.273,1146 31.278,1147 15.154,1148 2.013,1149 6.04,1150 27.055,1151 2.964,1152 16.483,1153 20.313,1154 0.579,1155 33.684,1156 16.302,1157 1.685,1158 5.518,1159 28.931,1160 2.504,1161 17.616,1162 21.681,1163 0.236,1164 36.071,1165 17.43,1166 14088,1167 21537,1168 22.652,1169 38.267,1170 48.443,1171 49.62,1172 49.067,1173 47.952,1174 47.89,1175 61.857,1176 5.618,1177 131.068,1178 46.501,1179 5.504,1180 5.692,1181 6.599,1182 5.3,1183 5.215,1184 7.198,1185 1.776,1186 18.6,1187 5.18,1188 10.36,1189 1.468,1190 1.504,1191 1.487,1192 1.453,1193 1.451,1194 1.874,1195 0.17,1196 3.972,1197 1.409,1198 4.048,1199 4.055,1200 4.013,1201 3.965,1202 7.427,1203 3.974,1204 3.925,1205 3.964,1206 3.847,1207 3.855,1208 4.946,1209 3.848,1210 3.786,1211 3.819,1212 3.716,1213 3.712,1214 4.755,1215 3.709,1216 3.713,1217 3.767,1218 3.572,1219 3.585,1220 4.708,1221 3.571,1222 3.496,1223 3.571,1224 3.349,1225 3.293,1226 4.378,1227 3.295,1228 3.251,1229 3.29,1230 3.169,1231 3.079,1232 4.253,1233 3.096,1234 3.119,1235 3.168,1236 2.954,1237 2.956,1238 4.093,1239 2.942,1240 2.986,1241 3.053,1242 2.894,1243 2.812,1244 3.874,1245 2.824,1246 0.138,1247 0.112,1248 0.205,1249 0.127,1250 0.097,1251 4.553,1252 0.127,1253 3.692,1254 0.028,1255 6.774,1256 0.335,1257 4.203,1258 0.096,1259 3.215,1260 4.198,1261 0.916,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.061,1267 2.084,1268 1.343,1269 2.074,1270 1.917,1271 1.884,1272 2.053,1273 2.021,1274 1.173,1275 2.035,1276 1.78,1277 1.754,1278 1.978,1279 1.915,1280 1.159,1281 1.937,1282 1.72,1283 1.661,1284 1.88,1285 1.845,1286 0.99,1287 1.859,1288 1.472,1289 1.396,1290 1.745,1291 1.702,1292 0.946,1293 1.722,1294 1.205,1295 1.161,1296 1.529,1297 1.444,1298 0.723,1299 1.47,1300 1.101,1301 1.055,1302 1.36,1303 1.29,1304 0.502,1305 1.28,1306 0.999,1307 0.909,1308 1.251,1309 1.222,1310 0.39,1311 1.272,1312 4.205,1314 5.493,1316 6.986,1318 8.581,1320 10.237,1322 2.163,1328 5.972,1330 11.795,1333 2.353,1340 36.014,1341 77.126,1342 176.322,1343 241.581,1344 292.11,1345 307.72,1346 307.72,1347 50.008,1348 7.794,1349 42.68,1350 42.68,1351 24,1352 12.497,1353 4.322,1354 3.459,1355 47.717,1356 161,1357 148,1358 0.14,1359 220.107,1360 387.19,1361 528.821,1362 31535,1364 20.761,1365 0.692,1366 0.578,1367 20.761,1368 17.343,1369 14.704,1370 0.446,1371 0.319,1372 10.403,1373 14.275,1374 10.141,1375 8.447,1376 14.704,1377 10.514,1378 12.743,1379 0.29,1380 0.175,1381 12.743,1382 7.718,1383 10.594,1384 0.186,1385 0.093,1386 10.594,1387 5.298,1388 8.927,1389 0.121,1390 0.05,1391 8.927,1392 3.696,1393 7.207,1394 0.077,1395 0.027,1396 7.207,1397 2.504,1398 0.234,1399 91.22,1400 0.21,1401 29.505,1402 0.35,1403 154,1404 416.852,1405 165.603,1406 400.815,1407 552.9,1408 378,1409 178,1410 407.124,1411 190.63,1412 413.147,1413 604.13,1414 389,1415 5.109}
{0 CHEMBL427342,1 1.553,2 11.115,3 1.486,4 2.209,5 99.415,6 7.575,7 0.414,8 3.945,9 4.082,10 3.528,11 3.466,12 5.043,13 3.46,14 4.46,15 4.64,16 3.865,17 3.848,18 5.577,19 3.811,20 4.663,21 4.899,22 3.76,23 3.888,24 5.67,25 3.811,26 4.546,27 4.767,28 3.779,29 3.797,30 5.635,31 3.748,32 4.582,33 4.789,34 3.737,35 3.803,36 5.714,37 3.739,38 4.598,39 4.857,40 3.6,41 3.718,42 5.602,43 3.633,44 4.437,45 4.677,46 3.486,47 3.601,48 5.591,49 3.504,50 4.342,51 4.596,52 3.417,53 3.501,54 5.349,55 3.428,56 0.047,57 0.75,58 9.216,59 3.571,60 6.112,61 4.92,62 0.278,63 1.173,64 16.985,65 6.094,66 24.75,67 8.638,68 0.266,69 1.279,70 23.243,71 7.419,72 32.556,73 10.871,74 0.167,75 1.161,76 20.117,77 6.596,78 26.445,79 9.618,80 0.317,81 1.174,82 20.876,83 7.022,84 39.612,85 9.659,86 0.257,87 1.11,88 22.959,89 7.114,90 34.223,91 10.5,92 0.496,93 0.956,94 19.172,95 6.271,96 50.945,97 8.977,98 0.189,99 0.844,100 17.794,101 5.854,102 27.334,103 8.428,104 2,105 39,106 0.265,107 0.587,108 0.691,109 0.75,110 0.75,111 0.75,112 3.304,113 0.893,114 -3.88,115 -3.84,116 -3.64,121 41.3,127 4,144 8,145 2,146 2,160 2,161 1,176 8,180 2,183 4,184 1,185 6,187 8,192 4,197 8,200 4,206 6,211 8,219 6,222 2,223 2,224 6,232 2,237 2,239 4,243 2,247 4,248 2,251 8,264 8,269 4,274 4,277 4,281 1012,282 18.016,283 18.016,284 18.016,285 18.016,286 18.016,287 15.971,288 24.974,289 10.943,290 18.37,291 14.392,292 14.392,293 14.392,294 14.392,295 14.392,296 11.242,297 34.814,298 5.252,299 14.955,300 3.971,301 2.087,302 1.478,303 1.13,304 1.13,305 1.13,306 4.003,310 1,311 1,312 1,313 641,314 2.828,317 147.435,318 181.703,325 1.74,326 20.653,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 56,338 289,339 4.278,340 3.564,341 6.174,342 3.889,343 2.919,344 3.855,345 1.656,346 9.201,347 2.833,348 4.261,349 3.157,350 6.17,351 3.865,352 2.895,353 3.839,354 0.899,355 9.182,356 2.811,357 3.888,358 3.149,359 5.544,360 3.543,361 2.587,362 3.199,363 0.899,364 7.537,365 2.464,366 3.721,367 2.566,368 5.307,369 3.312,370 2.356,371 3.077,372 0.267,373 6.852,374 2.248,375 3.419,376 2.485,377 4.722,378 2.98,379 2,380 2.641,381 0.267,382 5.235,383 1.947,384 3.035,385 1.881,386 4.406,387 2.68,388 1.719,389 2.178,390 0.247,391 4.39,392 1.647,393 2.95,394 1.863,395 4.304,396 2.573,397 1.591,398 2.059,400 4.1,401 1.554,402 2.646,403 1.293,404 3.507,405 2.212,406 1.222,407 1.706,409 2.661,410 1.209,411 2.635,412 1.291,413 3.49,414 2.181,415 1.185,416 1.688,418 2.608,419 1.179,420 2.088,421 1.115,422 3.249,423 1.757,424 0.792,425 0.959,427 1.912,428 0.762,429 2.088,430 1.115,431 3.242,432 1.756,433 0.791,434 0.958,436 1.908,437 0.761,438 1.711,439 0.96,440 3,441 1.518,442 0.618,443 0.656,445 1.372,446 0.556,447 1.711,448 0.96,449 3,450 1.518,451 0.618,452 0.656,454 1.372,455 0.556,456 1.219,457 0.614,458 2.912,459 0.943,465 1.154,466 0.225,467 2.333,468 0.696,469 -0.325,470 -0.443,472 -0.788,473 -0.326,474 12.233,475 0.471,476 0.482,477 0.019,478 35.25,479 1.356,480 17.5,481 0.673,482 17.75,483 0.683,484 17.589,485 0.676,486 27.367,487 0.595,488 25.262,489 0.972,490 7.235,491 0.278,492 5.541,493 0.213,494 0.027,496 0.286,501 0.922,502 1.353,503 0.79,504 1.01,505 0.643,506 0.89,507 0.704,508 1.108,509 0.92,510 1.034,511 0.584,512 1.008,513 1.156,514 1.053,515 1.057,516 0.987,517 1.014,518 0.997,519 1.06,520 1.208,521 0.895,522 1.049,523 0.887,524 0.956,525 1.342,526 1.051,527 1.158,528 1.151,529 1.678,530 1.144,531 1.198,532 1.01,533 0.954,534 0.959,535 1.26,536 0.926,537 0.831,538 0.672,539 1.063,540 0.938,541 1.173,542 1.03,543 1.164,544 0.905,545 0.804,546 0.866,547 1.55,548 0.803,549 4.5,550 0.055,551 2,552 1.181,553 0.864,554 0.597,555 0.442,556 0.175,557 0.231,558 0.071,559 9191,560 22714,561 2.172,562 43.5,564 16,567 4,572 1.687,573 2.108,574 3.483,575 1.735,576 1,577 1,582 71.425,583 1.553,584 3.437,585 4.045,586 4.393,587 4.393,588 4.393,589 2.902,590 3.316,591 4.676,592 3.649,593 1185.81,594 8.079,595 15326.2,597 1,599 1,600 254.084,601 1.058,602 4.663,603 0.155,604 0.003,605 0.051,606 0.035,607 0.025,608 0.019,609 0.016,610 0.007,611 0.01,612 0.004,613 0.324,614 0.17,615 1,616 0.362,617 129.118,618 -0.119,619 -0.143,620 0.036,621 0.004,622 -0.07,623 0.04,624 0.194,625 0.031,626 -0.032,627 -0.054,628 0.102,629 -0.076,630 -0.182,631 -0.047,632 -0.09,633 -0.018,634 -0.105,635 -0.033,636 -0.069,637 -0.189,638 0.062,639 -0.073,640 0.082,641 0.006,642 -0.069,643 -0.031,644 -0.191,645 -0.183,646 -0.136,647 -0.207,648 -0.098,649 -0.086,650 0.064,651 0.01,652 -0.03,653 0.058,654 0.385,655 0.298,656 -0.059,657 0.024,658 0.221,659 -0.071,660 -0.034,661 -0.01,662 0.217,663 0.135,664 -0.09,665 0.205,666 1.957,667 5.333,668 0.846,669 22.84,670 1.003,671 1.133,672 2.653,673 7.038,674 0.67,675 3.401,676 3.689,677 3.932,678 4.19,679 4.263,680 4.317,681 4.394,682 4.443,683 4.419,684 4.454,685 6.792,686 0.642,687 348.45,688 3.401,689 4.92,690 5.753,691 6.611,692 7.454,693 8.315,694 9.162,695 10.023,696 10.871,697 11.732,698 13,700 2,705 2,707 2,715 8,720 4,722 12,741 46,743 15,744 2,745 29,747 49,748 19,749 12,750 4,751 8,752 2,756 4,757 4,761 1,772 15,773 4,777 3,782 1,785 2,786 3,789 1,790 1,793 20,794 7,795 4,796 7,802 6,804 2,808 1,809 1,828 2,829 2,853 2,859 4,868 26,876 4,877 4,893 2.2,896 1,901 12.333,902 7.983,903 5.722,904 2.703,907 2.712,908 1.374,909 1.027,910 4.955,911 9.959,912 3.664,913 4.205,914 4.714,915 5.248,916 5.665,917 5.821,918 6.141,919 6.312,920 6.389,921 6.584,922 1,923 34,924 9.591,926 4.062,927 0.026,929 7.679,931 18.408,933 15.017,936 2.179,937 56.667,941 188.338,942 105.049,943 105.614,945 25.145,948 105.049,949 213.483,950 105.614,952 44.444,953 111.831,954 29.801,955 45.456,956 4.276,957 188.338,959 188.338,960 210.663,961 25.145,964 188.338,965 25.145,968 114.037,969 96.626,972 188.338,973 130.759,974 105.049,977 188.338,978 29.239,979 75.81,980 72.043,981 58.716,982 188.338,983 130.759,984 105.049,986 0.57,987 0.327,988 0.185,989 0.087,990 19,991 7,992 0.082,993 4,995 1,996 4,997 212.637,999 22,1000 98.211,1005 16.763,1006 7.686,1007 4.121,1009 130.759,1010 15.265,1015 3.365,1017 72.043,1018 424.146,1019 38,1024 12.333,1027 8.803,1028 1.445,1031 46.123,1032 52.106,1034 0.281,1035 0.622,1036 0.732,1037 0.795,1038 0.795,1039 0.795,1040 4.883,1041 1.222,1042 5.7,1043 4.1,1044 4.369,1045 4.89,1046 2.232,1047 6.447,1048 4.297,1049 6.058,1050 1.185,1051 7.209,1052 2.661,1053 3.761,1054 4.511,1055 1.195,1056 7.168,1057 3.673,1058 7.341,1059 0.792,1060 8.814,1061 2.608,1062 5.894,1063 6.981,1064 2.627,1065 10.258,1066 5.753,1067 8.658,1068 0.791,1069 10.479,1070 1.912,1071 6.155,1072 7.426,1073 2.324,1074 11.832,1075 5.983,1076 10.006,1077 0.618,1078 12.182,1079 1.908,1080 7.678,1081 9.331,1082 3.323,1083 14.377,1084 7.473,1085 11.374,1086 0.618,1087 13.912,1088 1.372,1089 8.343,1090 10.167,1091 3.407,1092 16.303,1093 8.102,1094 12.757,1096 15.661,1097 1.372,1098 9.608,1099 11.82,1100 4.182,1101 18.648,1102 9.341,1103 2.919,1104 -0.325,1105 17.423,1107 10.471,1108 12.867,1109 4.464,1110 20.73,1111 10.169,1112 2.895,1113 9.201,1114 19.196,1115 -0.788,1116 11.621,1117 14.388,1118 5.12,1119 22.997,1120 11.294,1121 2.587,1122 9.182,1123 20.976,1124 3.855,1125 12.582,1126 15.555,1127 5.504,1128 25.15,1129 12.222,1130 2.356,1131 7.537,1132 22.763,1133 3.839,1134 13.68,1135 17.003,1136 6.093,1137 27.385,1138 13.295,1139 2,1140 6.852,1141 24.554,1142 3.199,1143 14.69,1144 18.241,1145 6.531,1146 29.57,1147 14.273,1148 1.719,1149 5.235,1150 26.35,1151 3.077,1152 15.765,1153 19.648,1154 7.084,1155 31.793,1156 15.323,1157 1.591,1158 4.39,1159 28.148,1160 2.641,1161 16.801,1162 20.928,1163 7.551,1164 33.995,1165 16.327,1166 8511,1167 13514,1168 20.167,1169 30.819,1170 42.794,1171 44.108,1172 42.744,1173 42.464,1174 42.587,1175 54.944,1176 8.471,1177 116.659,1178 41.054,1179 5.17,1180 5.564,1181 5.774,1182 4.948,1183 4.919,1184 6.855,1185 2.912,1186 15.485,1187 4.833,1188 6.232,1189 1.476,1190 1.521,1191 1.474,1192 1.464,1193 1.469,1194 1.895,1195 0.292,1196 4.023,1197 1.416,1198 4,1199 4.041,1200 3.947,1201 3.903,1202 7.431,1203 3.907,1204 3.935,1205 3.976,1206 3.881,1207 3.853,1208 4.875,1209 3.854,1210 3.702,1211 3.774,1212 3.616,1213 3.491,1214 4.834,1215 3.51,1216 3.663,1217 3.731,1218 3.562,1219 3.472,1220 4.581,1221 3.485,1222 3.397,1223 3.442,1224 3.33,1225 3.124,1226 4.557,1227 3.173,1228 2.934,1229 3.004,1230 2.821,1231 2.809,1232 3.999,1233 2.801,1234 2.897,1235 2.959,1236 2.757,1237 2.79,1238 3.774,1239 2.775,1240 2.885,1241 2.953,1242 2.738,1243 2.755,1244 3.609,1245 2.745,1246 0.148,1247 0.123,1248 0.213,1249 0.134,1250 0.101,1251 4.278,1252 0.133,1253 3.564,1254 0.057,1255 6.174,1256 0.317,1257 3.889,1258 0.098,1259 2.919,1260 3.855,1261 1.656,1262 9.201,1263 2.833,1264 1.921,1265 1.893,1266 2.016,1267 2.03,1268 1.111,1269 2.026,1270 1.894,1271 1.868,1272 1.994,1273 1.98,1274 1.095,1275 1.986,1276 1.445,1277 1.362,1278 1.73,1279 1.681,1280 1.004,1281 1.704,1282 1.445,1283 1.361,1284 1.73,1285 1.681,1286 1.004,1287 1.704,1288 1.338,1289 1.285,1290 1.447,1291 1.634,1292 0.464,1293 1.582,1294 1.24,1295 1.176,1296 1.382,1297 1.493,1298 0.435,1299 1.466,1300 1.158,1301 1.097,1302 1.336,1303 1.43,1304 0.318,1305 1.407,1306 0.896,1307 0.832,1308 1.148,1309 1.107,1310 0.206,1311 1.125,1312 4.078,1314 5.371,1315 3.045,1316 6.841,1317 5.13,1318 8.393,1319 6.986,1320 9.99,1328 3.266,1329 12.191,1340 29.531,1341 71.425,1342 158.084,1343 186.084,1344 202.084,1345 202.084,1346 202.084,1347 33.49,1348 7.247,1349 89.91,1350 89.91,1351 22,1352 12.284,1353 4,1354 3.322,1355 38.212,1356 107,1357 84,1358 0.171,1359 181.867,1360 317.05,1361 435.515,1362 14725,1364 17.769,1365 0.683,1366 0.548,1367 17.769,1368 14.25,1369 12.776,1370 0.441,1371 0.298,1372 8.51,1373 12.305,1374 8.382,1375 6.923,1376 12.776,1377 8.634,1378 11.251,1379 0.288,1380 0.155,1381 11.251,1382 6.055,1383 9.251,1384 0.185,1385 0.083,1386 9.251,1387 4.136,1388 8.041,1389 0.124,1390 0.046,1391 8.041,1392 2.964,1393 5.506,1394 0.079,1395 0.024,1396 5.506,1397 1.697,1398 0.274,1399 79.866,1400 0.223,1401 25.515,1402 0.453,1403 136,1404 378.357,1405 149.482,1406 371.182,1407 515.08,1408 350,1409 157,1410 383.749,1411 169.707,1412 388.544,1413 567,1414 368,1415 6.229}
{0 CHEMBL427865,1 1.395,2 13.906,3 5.489,4 30.128,5 127.124,6 7.281,7 0.514,8 4.162,9 4.262,10 3.716,11 3.722,12 5.268,13 3.699,14 4.687,15 4.851,16 4.055,17 4.092,18 5.749,19 4.058,20 4.855,21 4.998,22 4.16,23 4.267,24 5.92,25 4.203,26 5.063,27 5.287,28 4.113,29 4.276,30 6.045,31 4.182,32 5.013,33 5.214,34 4.027,35 4.227,36 6.044,37 4.131,38 4.991,39 5.234,40 3.888,41 4.163,42 5.935,43 4.039,44 4.828,45 5.06,46 3.779,47 4.063,48 5.77,49 3.931,50 4.771,51 5.012,52 3.711,53 3.94,54 5.739,55 3.827,56 0.008,57 0.75,58 12.091,59 5.798,60 8.545,61 7.229,62 0.336,63 1.232,64 23.249,65 9.161,66 30.865,67 11.642,68 0.191,69 1.455,70 26.14,71 11.68,72 25.409,73 14.889,74 0.367,75 1.742,76 35.891,77 13.949,78 47.128,79 18.756,80 0.442,81 1.63,82 33.949,83 13.099,84 55.607,85 16.98,86 0.446,87 1.589,88 34.384,89 13.175,90 55.081,91 17.821,92 0.266,93 1.371,94 28.145,95 11.682,96 40.165,97 15.961,98 0.395,99 1.264,100 27.726,101 10.481,102 48.221,103 14.113,104 30,105 49,106 0.225,107 0.532,108 0.714,109 0.805,110 0.833,111 0.849,112 3.502,113 0.9,114 -5.48,115 -5.35,116 -5,121 45.8,122 1,126 3,127 2,137 1,138 1,144 10,145 5,146 3,160 1,176 17,179 1,180 8,187 20,191 1,192 12,200 16,205 1,206 12,214 9,218 1,219 10,227 10,231 1,232 5,239 13,243 1,244 4,251 14,255 2,256 5,264 12,269 4,277 9,281 1814,282 21.651,283 21.651,284 21.651,285 21.651,286 21.651,287 19.191,288 25.854,289 12.609,290 22.186,291 17.168,292 17.168,293 17.168,294 17.168,295 17.168,296 13.26,297 33.355,298 5.858,299 17.822,300 4.488,301 2.59,302 1.462,303 0.899,304 0.729,305 0.627,306 4.197,311 1,312 1,313 957,314 3.464,318 414.461,322 158.752,325 2.293,326 25.048,329 0.75,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.86,337 68.5,338 445,339 4.511,340 3.729,341 6.553,342 4.125,343 3.149,344 4.166,345 1.674,346 10.396,347 3.074,348 4.246,349 3.234,350 6.271,351 3.854,352 2.881,353 3.833,354 0.995,355 9.454,356 2.796,357 4.06,358 3.056,359 5.835,360 3.706,361 2.728,362 3.653,363 0.86,364 7.966,365 2.678,366 3.911,367 2.789,368 5.624,369 3.536,370 2.556,371 3.366,372 0.86,373 7.791,374 2.502,375 3.662,376 2.699,377 5.421,378 3.327,379 2.377,380 2.99,381 0.359,382 7.176,383 2.245,384 3.415,385 2.573,386 5.049,387 3.112,388 2.137,389 2.623,391 5.871,392 2.077,393 3.298,394 2.335,395 4.879,396 2.914,397 1.932,398 2.506,400 5.583,401 1.885,402 3.131,403 2.215,404 4.725,405 2.739,406 1.782,407 2.327,409 5.08,410 1.693,411 2.938,412 1.971,413 4.49,414 2.621,415 1.658,416 2.008,418 4.558,419 1.587,420 2.664,421 1.676,422 4.144,423 2.196,424 1.282,425 1.715,427 3.43,428 1.183,429 2.63,430 1.236,431 3.48,432 2.171,433 1.18,434 1.584,436 2.587,437 1.144,438 2.5,439 1.161,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.018,448 1.003,449 3.4,450 1.61,451 0.666,452 0.851,454 1.491,455 0.618,456 1.496,457 1,458 2.953,459 1.233,460 0.384,461 0.415,463 0.531,464 0.323,465 1.347,466 0.766,467 2.846,468 1.075,469 0.11,470 0.129,472 0.267,473 0.106,474 15.233,475 0.476,476 0.797,477 0.025,478 42.5,479 1.328,480 22.5,481 0.703,482 20,483 0.625,484 26.102,485 0.816,486 33.967,487 0.576,488 34.394,489 1.075,490 8.88,491 0.277,492 6.581,493 0.206,494 0.153,496 0.354,501 0.787,502 1.231,503 0.787,504 1.117,505 0.65,506 0.978,507 1.13,508 0.767,509 0.846,510 0.73,511 0.667,512 0.729,513 0.824,514 1.303,515 1.025,516 1.262,517 0.75,518 1.19,519 0.855,520 1.035,521 0.899,522 0.999,523 0.838,524 0.959,525 1.187,526 1.09,527 1.128,528 1.081,529 1.281,530 1.093,531 0.898,532 0.873,533 0.956,534 0.9,535 1.047,536 0.929,537 0.564,538 1.067,539 0.925,540 1.08,541 0.637,542 1.064,543 0.968,544 0.817,545 0.913,546 0.834,547 1.396,548 0.864,549 7.5,550 0.19,551 3.333,552 2.375,553 2.213,554 1.139,555 0.826,556 0.436,557 0.332,558 0.214,559 15457,560 38212,561 2.063,562 45.8,563 3,564 24,572 1.74,573 1.92,574 3.745,575 -0.836,582 82.312,583 1.395,584 3.293,585 4.421,586 4.984,587 5.153,588 5.255,589 3.281,590 4.688,591 4.969,592 3.941,593 1954.6,594 8.664,595 29623.4,600 347.076,601 1.448,602 4.925,603 0.214,604 0.008,605 0.068,606 0.046,607 0.046,608 0.026,609 0.022,610 0.013,611 0.01,612 0.008,613 0.461,614 0.33,615 0.88,616 0.825,617 170.981,618 0.004,619 -0.144,620 0.067,621 -0.081,622 -0.043,623 -0.012,624 -0.021,625 0.308,626 0.108,627 0.251,628 0.088,629 0.215,630 0.057,631 -0.268,632 -0.124,633 -0.246,634 0.019,635 -0.219,636 0.065,637 -0.038,638 0.081,639 -0.022,640 0.087,641 0.025,642 -0.053,643 -0.097,644 -0.139,645 -0.105,646 -0.068,647 -0.13,648 0.02,649 0.097,650 0.039,651 0.078,652 0.019,653 0.066,654 0.122,655 -0.1,656 0.026,657 -0.078,658 0.12,659 -0.047,660 0.031,661 0.151,662 0.094,663 0.141,664 -0.042,665 0.126,666 2.047,667 5.634,668 0.688,669 38.398,670 0.998,671 1.114,672 4.246,673 18.029,674 0.673,675 3.584,676 3.912,677 4.174,678 4.443,679 4.691,680 4.771,681 4.905,682 5.056,683 5.13,684 5.142,685 8.137,686 0.639,687 429.55,688 3.584,689 5.13,690 5.979,691 6.86,692 7.724,693 8.609,694 9.481,695 10.368,696 11.245,697 12.134,698 1.7,701 1,715 10,720 8,722 18,739 2,741 59,743 20,744 3,745 35,747 62,748 27,749 18,750 8,751 10,752 3,756 4,757 5,763 1,772 21,773 6,777 2,782 1,784 1,786 2,793 27,794 5,796 5,802 1,808 0.75,809 4,829 4,833 1,846 1,849 1,850 1,855 1,859 3,864 4,868 32,876 2,878 3,881 1,893 6.8,896 1,898 3,901 16.667,902 12.033,903 7.111,904 3.303,907 3.693,908 1.462,909 0.976,910 6.636,911 11.694,912 3.85,913 4.449,914 5.016,915 5.574,916 6.138,917 6.384,918 6.745,919 7.145,920 7.476,921 7.743,922 1,923 52,924 11.816,926 4.923,927 0.026,929 7.661,931 22.674,933 18.24,936 2.161,937 69.167,941 317.82,942 189.473,943 3.124,945 58.145,948 189.473,949 375.964,950 3.124,951 38.988,952 4.211,953 104.239,954 32.336,955 70.968,957 317.82,959 317.82,960 192.597,961 58.145,964 317.82,965 58.145,968 16.161,969 166.96,970 9.476,972 317.82,973 61.269,974 189.473,977 317.82,978 46.246,979 146.351,981 58.145,982 317.82,983 61.269,984 189.473,986 0.58,987 0.342,988 0.188,989 0.103,990 23,991 11,992 0.113,993 7,994 1,995 1.091,996 4.336,997 286.811,998 0.091,999 22,1000 154,1005 22.128,1006 9.597,1007 5.062,1009 61.269,1010 20.095,1015 6.92,1018 568.562,1019 46,1024 12.634,1026 1.835,1028 0.137,1031 58.898,1032 65.734,1034 0.237,1035 0.56,1036 0.752,1037 0.847,1038 0.876,1039 0.893,1040 5.091,1041 1.782,1042 5.969,1043 5.583,1044 4.595,1045 5.136,1046 2.452,1047 6.772,1048 4.531,1049 6.302,1050 1.658,1051 7.523,1052 5.08,1053 4.205,1054 4.934,1055 0.325,1056 7.627,1057 4.12,1058 7.61,1059 1.282,1060 9.171,1061 4.558,1062 6.188,1063 7.309,1064 3.014,1065 10.704,1066 6.074,1067 8.95,1068 1.18,1069 10.872,1070 3.43,1071 6.567,1072 7.866,1073 0.504,1074 12.346,1075 6.427,1076 10.317,1077 1,1078 12.606,1079 2.587,1080 8.035,1081 9.738,1082 3.869,1083 14.943,1084 7.875,1085 11.704,1086 0.666,1087 14.363,1088 2.275,1089 8.781,1090 10.667,1091 0.585,1092 16.94,1093 8.593,1094 13.106,1095 0.384,1096 16.138,1097 1.491,1098 10.035,1099 12.311,1100 4.843,1101 19.358,1102 9.83,1103 3.149,1104 0.11,1105 17.927,1106 0.531,1107 10.966,1108 13.441,1109 0.622,1110 21.524,1111 10.732,1112 2.881,1113 10.396,1114 19.726,1115 0.267,1116 12.13,1117 14.969,1118 5.856,1119 23.875,1120 11.878,1121 2.728,1122 9.454,1123 21.535,1124 4.166,1125 13.154,1126 16.214,1127 0.639,1128 26.121,1129 12.873,1130 2.556,1131 7.966,1132 23.352,1133 3.833,1134 14.283,1135 17.68,1136 6.881,1137 28.449,1138 13.983,1139 2.377,1140 7.791,1141 25.175,1142 3.653,1143 15.354,1144 18.992,1145 0.646,1146 30.735,1147 15.027,1148 2.137,1149 7.176,1150 27.005,1151 3.366,1152 16.472,1153 20.427,1154 7.91,1155 33.057,1156 16.124,1157 1.932,1158 5.871,1159 28.839,1160 2.99,1161 17.568,1162 21.778,1163 0.648,1164 35.362,1165 17.194,1166 14751,1167 23437,1168 23.175,1169 39.722,1170 52.227,1171 53.735,1172 54.172,1173 51.552,1174 51.645,1175 67.334,1176 9.496,1177 148.912,1178 49.821,1179 5.404,1180 5.729,1181 6.109,1182 5.216,1183 5.149,1184 7.166,1185 3.349,1186 17.269,1187 5.074,1188 17.264,1189 1.492,1190 1.535,1191 1.548,1192 1.473,1193 1.476,1194 1.924,1195 0.271,1196 4.255,1197 1.423,1198 4.05,1199 4.065,1200 4.011,1201 3.978,1202 7.433,1203 3.982,1204 3.941,1205 3.968,1206 3.876,1207 3.877,1208 4.967,1209 3.872,1210 3.87,1211 3.891,1212 3.813,1213 3.803,1214 4.762,1215 3.804,1216 3.574,1217 3.626,1218 3.503,1219 3.411,1220 4.718,1221 3.425,1222 3.445,1223 3.478,1224 3.336,1225 3.251,1226 4.527,1227 3.261,1228 3.249,1229 3.314,1230 3.063,1231 3.019,1232 4.494,1233 3.002,1234 3.176,1235 3.258,1236 3.002,1237 2.953,1238 4.197,1239 2.965,1240 3.144,1241 3.212,1242 2.964,1243 2.922,1244 3.949,1245 2.921,1246 0.129,1247 0.107,1248 0.187,1249 0.118,1250 0.09,1251 4.511,1252 0.119,1253 3.729,1254 0.048,1255 6.553,1256 0.297,1257 4.125,1258 0.088,1259 3.149,1260 4.166,1261 1.674,1262 10.396,1263 3.074,1264 1.993,1265 1.979,1266 2.086,1267 2.081,1268 1.254,1269 2.08,1270 1.936,1271 1.909,1272 2.05,1273 2.028,1274 1.186,1275 2.035,1276 1.857,1277 1.84,1278 1.95,1279 1.952,1280 1.094,1281 1.956,1282 1.524,1283 1.476,1284 1.749,1285 1.738,1286 0.9,1287 1.744,1288 1.381,1289 1.339,1290 1.601,1291 1.61,1292 0.685,1293 1.599,1294 1.202,1295 1.124,1296 1.575,1297 1.524,1298 0.605,1299 1.539,1300 1.191,1301 1.116,1302 1.545,1303 1.416,1304 0.574,1305 1.465,1306 1.127,1307 1.052,1308 1.435,1309 1.365,1310 0.545,1311 1.389,1312 4.263,1314 5.587,1316 7.109,1318 8.722,1320 10.384,1322 7.35,1328 1.695,1330 16.229,1333 2.272,1340 37.729,1341 82.312,1342 194.293,1343 260.837,1344 294.056,1345 304.056,1346 310.056,1347 53.2,1348 8.001,1349 51.91,1350 51.91,1351 24,1352 12.666,1353 4.392,1354 3.585,1355 52.238,1356 157,1357 146,1358 0.161,1359 230.768,1360 410.64,1361 554.834,1362 36224,1364 22.665,1365 0.708,1366 0.589,1367 22.665,1368 18.845,1369 15.461,1370 0.442,1371 0.3,1372 10.337,1373 14.864,1374 9.901,1375 8.33,1376 15.461,1377 10.499,1378 13.936,1379 0.284,1380 0.164,1381 13.936,1382 8.051,1383 11.587,1384 0.181,1385 0.086,1386 11.587,1387 5.491,1388 9.876,1389 0.118,1390 0.047,1391 9.876,1392 3.927,1393 8.003,1394 0.074,1395 0.024,1396 8.003,1397 2.616,1398 0.261,1399 97.088,1400 0.208,1401 30.42,1402 0.422,1403 168,1404 490.587,1405 182.037,1406 468.058,1407 640.77,1408 440,1409 197,1410 466.761,1411 211.901,1412 480.912,1413 698.47,1414 445,1415 6.914}
{0 CHEMBL430679,1 1.719,2 15.103,3 3.203,4 10.259,5 116.769,6 7.859,7 0.4,8 4.049,9 4.169,10 3.642,11 3.539,12 5.218,13 3.517,14 4.562,15 4.737,16 3.945,17 3.874,18 5.797,19 3.83,20 4.781,21 4.984,22 3.952,23 4.019,24 5.884,25 3.921,26 4.873,27 5.114,28 3.951,29 3.96,30 5.997,31 3.852,32 4.781,33 5.018,34 3.894,35 3.869,36 5.901,37 3.772,38 4.699,39 4.923,40 3.796,41 3.836,42 5.988,43 3.706,44 4.657,45 4.907,46 3.669,47 3.758,48 5.675,49 3.6,50 4.532,51 4.784,52 3.655,53 3.62,54 5.655,55 3.494,56 0.161,57 0.769,58 10.341,59 4.597,60 10.906,61 5.966,62 0.467,63 1.169,64 21.078,65 7.067,66 56.937,67 9.588,68 0.459,69 1.367,70 28.526,71 10.091,72 45.661,73 13.095,74 0.561,75 1.382,76 35.079,77 10.809,78 86.417,79 14.225,80 0.657,81 1.258,82 32.605,83 9.561,84 69.839,85 12.312,86 0.712,87 1.184,88 29.004,89 9.271,90 116.308,91 11.893,92 0.523,93 1.121,94 30.137,95 9.326,96 67.06,97 12.173,98 0.488,99 0.998,100 28.152,101 7.792,102 64.48,103 10.32,104 27,105 38,106 0.286,107 0.599,108 0.749,109 0.845,110 0.877,111 0.877,112 3.406,113 0.95,114 -3.77,115 -3.73,116 -3.55,121 37.7,126 1,127 5,144 9,145 2,146 1,160 1,161 1,168 2,176 10,179 1,180 4,183 1,184 1,185 1,187 10,191 1,192 10,195 1,197 2,200 5,206 8,209 1,211 2,218 1,219 5,222 2,224 3,231 2,232 2,235 3,237 1,243 1,244 3,247 1,249 1,256 3,259 3,261 1,269 1,274 2,281 1520,282 19.242,283 19.242,284 19.242,285 19.242,286 19.242,287 17.217,288 22.486,289 11.948,290 19.753,291 14.828,292 14.828,293 14.828,294 14.828,295 14.828,296 11.798,297 25.177,298 5.735,299 15.602,300 4.009,301 2.135,302 1.232,303 0.656,304 0.467,305 0.467,306 4.073,311 1,312 1,313 901,314 4.637,318 246.801,325 2.314,326 33.838,329 1,330 0.83,331 0.83,332 1,333 0.5,334 1,335 1,336 0.88,337 64,338 438,339 4.329,340 3.837,341 6.147,342 3.905,343 2.916,344 4.016,345 2.612,346 9.02,347 2.886,348 4.002,349 3.778,350 5.802,351 3.596,352 2.625,353 3.455,354 1.773,355 7.778,356 2.558,357 3.927,358 3.458,359 5.484,360 3.552,361 2.59,362 3.442,363 0.99,364 7.392,365 2.496,366 3.603,367 2.95,368 5.035,369 3.145,370 2.247,371 2.828,372 0.916,373 6.034,374 2.024,375 3.294,376 2.463,377 4.819,378 3.098,379 2.161,380 2.364,381 0.86,382 5.518,383 1.982,384 3.154,385 2.293,386 4.138,387 2.622,388 1.702,389 2.345,390 0.172,391 3.743,392 1.584,393 2.858,394 2.239,395 3.759,396 2.505,397 1.537,398 1.969,399 0.14,400 3.378,401 1.464,402 2.687,403 1.595,404 3.635,405 2.39,406 1.409,407 1.69,409 3.008,410 1.365,411 2.624,412 1.577,413 3.557,414 2.061,415 1.092,416 1.6,418 2.6,419 1.05,420 2.532,421 1.477,422 3.434,423 2,424 1,425 1.5,427 2.322,428 1,429 2.5,430 1.149,431 3.247,432 2,433 1,434 1.482,436 2.136,437 1,438 2.071,439 1,440 3.162,441 1.881,442 0.926,443 1.032,445 2.017,446 0.872,447 1.36,448 1,449 2.751,450 1.178,451 0.273,452 0.287,454 0.598,455 0.244,456 1.016,457 0.938,458 2.45,459 0.779,460 -0.183,461 -0.208,463 -0.437,464 -0.175,465 1,466 0.728,467 2.117,468 0.501,469 -0.444,470 -0.497,472 -1.057,473 -0.412,474 13.767,475 0.475,476 0.634,477 0.022,478 35.75,479 1.233,480 17.5,481 0.603,482 18.25,483 0.629,484 22.299,485 0.769,486 32.433,487 0.612,488 28.536,489 0.984,490 7.675,491 0.265,492 6.278,493 0.216,494 0.169,496 0.24,501 0.598,502 1.315,503 0.679,504 0.998,505 0.523,506 0.996,507 0.872,508 1.068,509 0.815,510 0.926,511 0.479,512 0.965,513 0.861,514 1.128,515 1.012,516 1.102,517 0.668,518 1.121,519 0.959,520 1.071,521 0.925,522 1.025,523 0.945,524 0.967,525 1.109,526 0.891,527 0.991,528 0.922,529 0.923,530 0.891,531 0.842,532 0.935,533 1.084,534 1.021,535 0.789,536 1.059,537 0.797,538 1.032,539 1.086,540 1.113,541 0.718,542 1.034,543 0.722,544 0.951,545 1.06,546 1.153,547 0.482,548 0.962,549 5.5,550 0.124,551 2.444,552 1.563,553 1.173,554 0.785,555 0.346,556 0.271,557 0.189,558 0.091,559 12822,560 40612,561 1.957,562 45.3,564 22,567 2,572 1.71,573 1.832,574 3.865,575 0.296,577 1,582 91.102,583 1.719,584 3.593,585 4.496,586 5.072,587 5.261,588 5.261,589 3.263,590 4.513,591 4.833,592 4.076,593 1654.69,594 8.359,595 25746.8,597 1,599 1,600 303.58,601 1.384,602 4.785,603 0.183,604 0.007,605 0.064,606 0.042,607 0.035,608 0.025,609 0.012,610 0.011,611 0.008,612 0.004,613 0.392,614 0.33,615 1,616 0.772,617 154.895,618 0.108,619 -0.106,620 0.029,621 -0.039,622 -0.009,623 -0.029,624 0.043,625 0.031,626 0.004,627 -0.002,628 0.163,629 -0.017,630 -0.022,631 -0.101,632 -0.094,633 -0.114,634 0.014,635 -0.129,636 -0.012,637 -0.131,638 0.088,639 -0.046,640 0.025,641 0.025,642 -0.032,643 0.07,644 0.059,645 0.055,646 -0.018,647 0.076,648 0.158,649 0.048,650 -0.037,651 -0.01,652 0.213,653 -0.078,654 0.075,655 -0.095,656 0.038,657 -0.045,658 0.014,659 -0.009,660 0.142,661 0.032,662 0.116,663 -0.077,664 0.179,665 0.049,666 2.554,667 5.092,668 0.414,669 34.25,670 1.012,671 1.13,672 2.538,673 6.44,674 0.662,675 3.434,676 3.664,677 3.784,678 3.912,679 4.025,680 3.892,681 3.871,682 3.761,683 3.638,684 3.555,685 8.998,686 0.63,687 416.55,688 3.434,689 4.92,690 5.7,691 6.518,692 7.315,693 8.135,694 8.94,695 9.762,696 10.572,697 11.396,698 7.5,701 1,705 2,709 1,715 9,720 3,722 12,735 1,741 53,743 16,744 2,745 30,747 54,748 20,749 12,750 3,751 9,752 1,756 2,757 2,761 1,772 14,773 6,777 4,779 1,782 3,783 1,786 2,790 1,793 24,794 7,795 2,796 9,797 1,802 4,805 1,808 1,809 4,829 2,855 1,858 1,859 2,862 1,864 1,868 29,876 5,877 2,878 1,881 1,893 7.5,896 1,897 1,899 2,901 15.833,902 9.483,903 6.639,904 2.933,907 1.952,908 1.292,909 0.927,910 9.67,911 8.632,912 3.714,913 4.19,914 4.575,915 5.006,916 5.441,917 5.385,918 5.549,919 5.396,920 5.125,921 5.107,922 0.9,923 37,924 10.691,926 4.335,927 0.026,929 8.017,931 19.896,933 15.145,936 2.517,937 73,940 1,941 258.964,942 168.494,943 44.816,945 86.892,947 45.192,948 123.302,949 345.856,950 44.816,951 14.066,952 51.523,953 85.286,954 40.849,955 12.252,956 0.285,957 258.964,958 95.939,959 258.964,960 168.117,961 86.892,962 45.192,964 258.964,965 25.145,966 61.747,968 54.648,969 107.8,970 5.67,971 45.192,972 258.964,973 131.708,974 168.494,977 258.964,978 29.619,979 102.477,980 36.022,981 132.084,982 258.964,983 131.708,984 168.494,986 0.561,987 0.305,988 0.153,989 0.081,990 13,991 7,992 0.185,993 10,995 1,996 4.26,997 213.33,999 12,1000 134.881,1002 1,1005 22.908,1006 12.242,1007 8.665,1009 126.038,1010 15.67,1015 1.268,1017 36.022,1018 559.165,1019 40,1021 -0.554,1024 33.648,1025 5.066,1028 -0.36,1031 53.629,1032 59.903,1034 0.3,1035 0.627,1036 0.785,1037 0.886,1038 0.918,1039 0.918,1040 4.898,1041 1.409,1042 5.638,1043 3.378,1044 4.344,1045 4.875,1046 3.115,1047 6.315,1048 4.258,1049 6.056,1050 1.092,1051 7.119,1052 3.008,1053 3.761,1054 4.559,1055 2.615,1056 6.957,1057 3.639,1058 7.317,1059 1,1060 8.698,1061 2.6,1062 5.808,1063 6.919,1064 4.4,1065 9.987,1066 5.657,1067 8.611,1068 1,1069 10.337,1070 2.322,1071 6.019,1072 7.408,1073 4.637,1074 11.458,1075 5.853,1076 9.936,1077 0.926,1078 12.014,1079 2.136,1080 7.528,1081 9.266,1082 6.052,1083 13.974,1084 7.337,1085 11.282,1086 0.273,1087 13.717,1088 2.017,1089 8.128,1090 10.14,1091 6.619,1092 15.806,1093 7.937,1094 12.647,1095 -0.183,1096 15.44,1097 0.598,1098 9.389,1099 11.773,1100 7.841,1101 18.121,1102 9.178,1103 2.916,1104 -0.444,1105 17.176,1106 -0.437,1107 10.195,1108 12.852,1109 8.578,1110 20.126,1111 9.986,1112 2.625,1113 9.02,1114 18.923,1115 -1.057,1116 11.336,1117 14.37,1118 9.691,1119 22.359,1120 11.113,1121 2.59,1122 7.778,1123 20.679,1124 4.016,1125 12.253,1126 15.567,1127 10.523,1128 24.451,1129 12.03,1130 2.247,1131 7.392,1132 22.442,1133 3.455,1134 13.338,1135 17.022,1136 11.573,1137 26.651,1138 13.105,1139 2.161,1140 6.034,1141 24.21,1142 3.442,1143 14.314,1144 18.29,1145 12.459,1146 28.787,1147 14.08,1148 1.702,1149 5.518,1150 25.982,1151 2.828,1152 15.375,1153 19.711,1154 13.472,1155 30.976,1156 15.133,1157 1.537,1158 3.743,1159 27.759,1160 2.364,1161 16.385,1162 21.023,1163 14.389,1164 33.137,1165 16.139,1166 12723,1167 22971,1168 19.474,1169 35.103,1170 43.218,1171 46.166,1172 44.075,1173 42.995,1174 42.957,1175 56.017,1176 14.93,1177 111.086,1178 41.05,1179 5.297,1180 5.837,1181 5.974,1182 4.982,1183 4.916,1184 7.016,1185 4.612,1186 15.331,1187 4.886,1188 16.24,1189 1.441,1190 1.539,1191 1.469,1192 1.433,1193 1.432,1194 1.867,1195 0.498,1196 3.703,1197 1.368,1198 4.004,1199 4.029,1200 3.996,1201 3.886,1202 7.815,1203 3.893,1204 3.923,1205 3.961,1206 3.884,1207 3.849,1208 7.429,1209 3.845,1210 3.704,1211 3.759,1212 3.845,1213 3.512,1214 6.999,1215 3.499,1216 3.608,1217 3.668,1218 3.527,1219 3.408,1220 4.85,1221 3.399,1222 3.509,1223 3.548,1224 3.496,1225 3.199,1226 4.757,1227 3.233,1228 3.338,1229 3.383,1230 3.289,1231 3.063,1232 4.655,1233 3.094,1234 3.161,1235 3.235,1236 3.109,1237 2.953,1238 4.57,1239 2.953,1240 2.973,1241 3.053,1242 2.939,1243 2.871,1244 4.174,1245 2.836,1246 0.144,1247 0.128,1248 0.205,1249 0.13,1250 0.097,1251 4.329,1252 0.134,1253 3.837,1254 0.087,1255 6.147,1256 0.301,1257 3.905,1258 0.096,1259 2.916,1260 4.016,1261 2.612,1262 9.02,1263 2.886,1264 1.926,1265 1.904,1266 2.049,1267 2.087,1268 1.209,1269 2.05,1270 1.915,1271 1.883,1272 2.014,1273 2.017,1274 1.095,1275 2.03,1276 1.626,1277 1.566,1278 1.859,1279 1.872,1280 1.067,1281 1.872,1282 1.526,1283 1.458,1284 1.755,1285 1.777,1286 0.983,1287 1.774,1288 1.325,1289 1.288,1290 1.527,1291 1.693,1292 0.693,1293 1.611,1294 1.191,1295 1.144,1296 1.391,1297 1.512,1298 0.5,1299 1.497,1300 1.122,1301 1.059,1302 1.358,1303 1.396,1304 0.385,1305 1.407,1306 0.997,1307 0.913,1308 1.264,1309 1.222,1310 0.218,1311 1.274,1312 4.111,1314 5.361,1316 6.783,1318 8.283,1320 9.826,1322 2.035,1328 3.11,1329 5.369,1330 5.573,1333 2.173,1340 33.4,1341 91.102,1342 190.415,1343 238.296,1344 268.825,1345 278.825,1346 278.825,1347 78.557,1348 6.68,1349 99.42,1350 131.51,1351 12,1352 11.977,1353 4.087,1354 3.459,1355 66.349,1356 160,1357 137,1358 0.194,1359 215.777,1360 381.95,1361 518.256,1362 7782,1364 21.062,1365 0.726,1366 0.586,1367 21.562,1368 16.984,1369 13.952,1370 0.465,1371 0.317,1372 8.959,1373 12.997,1374 8.718,1375 7.271,1376 14.241,1377 9.501,1378 12.085,1379 0.318,1380 0.178,1381 12.494,1382 6.761,1383 8.881,1384 0.207,1385 0.099,1386 9.144,1387 4.237,1388 6.783,1389 0.138,1390 0.055,1391 7.071,1392 2.708,1393 5.036,1394 0.092,1395 0.03,1396 5.204,1397 1.662,1398 0.327,1399 91.636,1400 0.227,1401 28.967,1402 0.479,1403 136,1404 485.759,1405 166.772,1406 482.635,1407 619.19,1408 444,1409 149,1410 412.713,1411 173.594,1412 421.731,1413 598.34,1414 391,1415 7.824}
{0 CHEMBL430886,1 1.159,2 14.217,3 5.218,4 27.225,5 98.943,6 5.683,7 0.5,8 4.027,9 4.18,10 3.357,11 3.553,12 4.871,13 3.465,14 4.607,15 4.835,16 3.543,17 3.923,18 5.329,19 3.776,20 4.922,21 5.225,22 3.471,23 4.038,24 5.501,25 3.825,26 4.892,27 5.21,28 3.284,29 3.962,30 5.415,31 3.718,32 4.824,33 5.146,34 3.218,35 3.888,36 5.335,37 3.643,38 4.755,39 5.075,40 3.162,41 3.822,42 5.274,43 3.58,44 4.68,45 5,46 3.102,47 3.752,48 5.209,49 3.513,50 4.6,51 4.918,52 3.039,53 3.677,54 5.14,55 3.441,56 0.073,57 0.757,58 13.747,59 5.455,60 9.599,61 8.144,62 0.151,63 1.21,64 23.322,65 8.741,66 15.254,67 13.311,68 0.18,69 1.446,70 29.554,71 11.562,72 18.409,73 17.309,74 0.159,75 1.351,76 28.057,77 11.382,78 15.806,79 16.806,80 0.142,81 1.25,82 26.01,83 10.691,84 14.355,85 15.712,86 0.134,87 1.169,88 24.307,89 9.943,90 13.686,91 14.639,92 0.127,93 1.089,94 22.604,95 9.196,96 13.017,97 13.566,98 0.119,99 1.008,100 20.901,101 8.448,102 12.347,103 12.493,105 27,106 0.195,107 0.399,108 0.512,109 0.59,110 0.641,111 0.679,112 3.185,113 1.191,114 -5.02,115 -4.92,116 -4.61,121 38.2,123 9,127 2,144 6,147 4,176 12,187 9,189 6,200 6,203 4,214 9,216 2,227 10,229 2,239 9,241 2,251 8,253 2,264 7,266 2,277 6,279 2,281 848,282 16.192,283 16.192,284 16.192,285 16.192,286 16.192,287 14.69,288 9.487,289 10.805,290 16.424,291 11.949,292 11.949,293 11.949,294 11.949,295 11.949,296 9.862,297 5,298 5.29,299 12.322,300 4.623,301 3.407,302 2.731,303 2.271,304 1.963,305 1.737,306 3.863,311 1,312 1,313 684,314 3.464,318 190.958,325 2.382,326 3.587,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 47,338 327,339 3.896,340 2.628,341 5.34,342 3.451,343 2.522,344 3.444,346 6.965,347 2.344,348 3.896,349 2.628,350 5.34,351 3.451,352 2.522,353 3.444,355 6.965,356 2.343,357 2.985,358 1.922,359 3.934,360 2.921,361 1.922,362 2.123,364 3.858,365 1.92,366 2.959,367 1.74,368 3.779,369 2.729,370 1.732,371 2.119,373 3.506,374 1.727,375 2.873,376 1.598,377 3.655,378 2.553,379 1.562,380 1.903,382 3.221,383 1.546,384 2.659,385 1.487,386 3.547,387 2.436,388 1.451,389 1.668,391 3.02,392 1.426,393 2.5,394 1.242,395 3.322,396 2.223,397 1.236,398 1.5,400 2.557,401 1.218,402 2.5,403 1,404 3.247,405 1.984,406 1,407 1.5,409 2.136,410 0.983,411 2.338,412 1,413 3.247,414 1.984,415 1,416 1.33,418 2.136,419 0.983,420 1.943,421 0.868,422 3,423 1.855,424 0.866,425 0.917,427 1.799,428 0.856,429 1.515,430 0.456,431 2.652,432 1.421,433 0.435,434 0.461,436 0.916,437 0.428,438 1.113,439 0.059,440 2.283,441 0.981,447 0.819,448 -0.298,449 1.877,450 0.596,451 -0.382,452 -0.423,454 -0.823,455 -0.373,456 0.597,457 -0.616,458 1.555,459 0.318,460 -0.669,461 -0.776,463 -1.4,464 -0.659,465 0.5,466 -0.908,467 1.555,468 0.081,469 -0.912,470 -1.074,472 -1.867,473 -0.906,474 11.3,475 0.491,476 0.137,477 0.006,478 23.5,479 1.022,480 10,481 0.435,482 13.5,483 0.587,484 21.166,485 0.92,486 26.5,487 0.482,488 11.911,489 0.518,490 4.053,491 0.176,492 7.396,493 0.322,496 0.071,501 1.086,502 1.518,503 1.119,504 1.3,505 0.84,506 1.227,507 1.648,508 1.315,509 1.286,510 1.241,511 1.023,512 1.244,513 1.128,514 0.986,515 1.018,516 0.987,517 0.909,518 0.995,519 0.911,520 0.949,521 1,522 0.992,523 0.897,524 0.999,525 0.77,526 0.921,527 0.939,528 0.958,529 0.813,530 0.957,531 0.801,532 0.925,533 0.944,534 0.958,535 0.849,536 0.959,537 0.837,538 0.93,539 0.95,540 0.959,541 0.89,542 0.961,543 0.879,544 0.935,545 0.958,546 0.96,547 0.938,548 0.963,549 1.5,550 0.025,551 0.667,552 0.25,553 0.222,554 0.125,555 0.08,556 0.056,557 0.041,558 0.031,559 7852,560 12982,561 2.072,562 58.2,563 14,564 10,566 4,569 4,572 1.641,573 2.06,574 3.796,575 -0.901,582 63.736,583 1.159,584 2.375,585 3.05,586 3.51,587 3.818,588 4.045,589 3.219,590 3.219,591 4.499,592 3.989,593 1009.24,594 7.661,595 13820.4,600 317.975,601 0.426,602 4.512,603 0.063,604 0.002,605 0.025,606 0.01,607 0.012,608 0.007,609 0.005,610 0.003,611 0.003,612 0.002,613 0.131,614 0.5,615 0.88,617 115.884,618 0.158,619 -0.222,620 0.053,621 -0.085,622 0.29,623 -0.033,624 -0.16,625 -0.147,626 -0.183,627 -0.171,628 0.012,629 -0.177,630 -0.062,631 -0.002,632 -0.033,633 -0.015,634 -0.004,635 -0.021,636 -0.057,637 -0.009,638 -0.047,639 -0.029,640 -0.078,641 -0.036,642 -0.005,643 0.003,644 0.003,645 0.004,646 -0.021,647 0.004,648 -0.009,649 0.003,651 0.003,652 -0.032,653 0.002,654 -0.014,655 0.003,656 -0.002,657 0.002,658 -0.046,659 0.001,660 -0.02,661 0.003,662 -0.005,663 0.001,664 -0.061,665 -0.001,666 0.335,667 0.282,668 0.522,669 25.853,670 0.972,671 1.131,672 3.791,673 14.37,674 0.626,675 3.219,676 3.332,677 3.434,678 3.526,679 3.611,680 3.332,681 3.296,682 3.258,683 3.219,684 3.178,685 8.518,686 0.563,687 312.55,688 3.219,689 4.635,690 5.38,691 6.138,692 6.893,693 7.656,694 8.415,695 9.181,696 9.942,697 10.709,698 3.6,708 2,715 10,721 2,722 12,741 55,743 12,745 24,747 56,748 21,749 10,756 2,757 2,770 9,772 10,773 11,793 32,796 2,802 2,803 2,808 1,822 2,829 2,859 2,868 23,876 11,901 11.167,902 9.333,903 5.5,904 3.972,907 1.738,908 1.279,909 0.941,910 9.45,911 7.957,912 3.434,913 3.807,914 4.197,915 4.598,916 5.003,917 4.467,918 4.456,919 4.444,920 4.432,921 4.42,922 1,923 24,924 8.546,926 3.306,927 0.026,929 7.261,931 17.467,933 13.821,936 1.761,937 40.5,938 0.002,941 376.675,942 120.069,943 3.798,948 120.069,949 376.675,950 3.798,952 27.022,953 56.857,954 50.883,955 36.19,957 329.591,959 376.675,960 123.868,964 329.591,965 47.084,968 63.212,969 56.857,970 3.798,972 376.675,973 3.798,974 120.069,977 376.675,978 27.022,979 96.845,982 376.675,983 3.798,984 120.069,986 0.526,987 0.28,988 0.147,989 0.076,990 8,991 2,992 0.214,993 12,995 1,996 4.021,997 143.991,999 12,1000 74.042,1005 17.969,1006 12.096,1007 8.73,1010 21.228,1016 4.565,1018 500.543,1019 30,1031 53.458,1032 62.225,1034 0.2,1035 0.411,1036 0.528,1037 0.607,1038 0.66,1039 0.7,1040 4.543,1041 1,1042 5.198,1043 2.557,1044 4.007,1045 4.489,1047 5.707,1048 3.942,1049 5.597,1050 1,1051 6.547,1052 2.136,1053 2.565,1054 3.332,1056 5.784,1057 2.277,1058 6.766,1059 0.866,1060 7.987,1061 2.136,1062 5.293,1063 6.389,1065 8.957,1066 5.129,1067 7.97,1068 0.435,1069 9.49,1070 1.799,1071 4.796,1072 6.184,1074 10.098,1075 4.328,1076 9.212,1078 11.041,1079 0.916,1080 6.804,1081 8.586,1083 12.558,1084 6.511,1085 10.482,1086 -0.382,1087 12.627,1089 6.86,1090 8.872,1092 14.147,1093 6.253,1094 11.774,1095 -0.669,1096 14.239,1097 -0.823,1098 8.441,1099 10.914,1101 16.318,1102 7.996,1103 2.522,1104 -0.912,1105 15.87,1106 -1.4,1107 8.832,1108 11.483,1110 18.101,1111 8.095,1112 2.522,1113 6.965,1114 17.515,1115 -1.867,1116 10.157,1117 13.3,1119 20.146,1120 9.547,1121 1.922,1122 6.965,1123 19.169,1124 3.444,1125 10.755,1126 14.05,1128 22.016,1129 9.887,1130 1.732,1131 3.858,1132 20.829,1133 3.444,1134 11.924,1135 15.714,1137 24.004,1138 11.145,1139 1.562,1140 3.506,1141 22.494,1142 2.123,1143 12.649,1144 16.588,1146 25.912,1147 11.648,1148 1.451,1149 3.221,1150 24.162,1151 2.119,1152 13.723,1153 18.144,1155 27.875,1156 12.775,1157 1.236,1158 3.02,1159 25.833,1160 1.903,1161 14.525,1162 19.109,1164 29.801,1165 13.39,1166 7636,1167 9882,1168 16.753,1169 34.432,1170 32.63,1171 32.458,1172 32.693,1173 32.579,1174 32.498,1175 40.818,1177 74.157,1178 31.547,1179 4.861,1180 4.628,1181 5.276,1182 4.486,1183 4.522,1184 6.444,1186 11.754,1187 4.303,1189 1.36,1190 1.352,1191 1.362,1192 1.357,1193 1.354,1194 1.701,1196 3.09,1197 1.314,1198 3.978,1199 4.036,1200 3.893,1201 3.838,1202 4.813,1203 3.843,1204 3.938,1205 3.994,1206 3.861,1207 3.798,1208 4.789,1209 3.806,1210 3.774,1211 3.837,1212 3.616,1213 3.66,1214 4.213,1215 3.642,1216 3.621,1217 3.687,1218 3.451,1219 3.503,1220 4.078,1221 3.482,1222 3.43,1223 3.504,1224 3.246,1225 3.295,1226 3.927,1227 3.273,1228 3.216,1229 3.3,1230 3.024,1231 3.049,1232 3.766,1233 3.031,1234 3.002,1235 3.096,1236 2.809,1237 2.801,1238 3.674,1239 2.789,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.162,1247 0.11,1248 0.222,1249 0.144,1250 0.105,1251 3.896,1252 0.144,1253 2.628,1255 5.34,1256 0.29,1257 3.451,1258 0.098,1259 2.522,1260 3.444,1262 6.965,1263 2.344,1264 1.911,1265 1.86,1266 2.09,1267 2.077,1268 1.439,1269 2.08,1270 1.904,1271 1.854,1272 2.057,1273 2.072,1274 1.335,1275 2.07,1276 1.791,1277 1.733,1278 2,1279 1.942,1280 1.193,1281 1.972,1282 1.651,1283 1.589,1284 1.898,1285 1.807,1286 1.064,1287 1.844,1288 1.461,1289 1.39,1290 1.746,1291 1.637,1292 0.96,1293 1.678,1294 1.238,1295 1.157,1296 1.559,1297 1.447,1298 0.815,1299 1.49,1300 1.01,1301 0.917,1302 1.361,1303 1.254,1304 0.613,1305 1.295,1306 0.886,1307 0.821,1308 1.181,1309 1.077,1310 0.4,1311 1.117,1312 3.892,1314 5.056,1316 6.399,1318 7.821,1320 9.284,1328 14.707,1340 30.945,1341 63.736,1342 130.609,1343 167.755,1344 193.062,1345 210.001,1346 222.465,1347 33.967,1348 6.219,1349 7.76,1350 7.76,1351 12,1352 11.335,1353 3.7,1354 2.807,1355 46.1,1356 120,1357 87,1358 0.176,1359 196.374,1360 334.14,1361 470.914,1362 4624,1364 16.004,1365 0.696,1366 0.633,1367 16.004,1368 14.552,1369 11.449,1370 0.477,1371 0.397,1372 9.466,1373 11.236,1374 9.297,1375 7.856,1376 11.449,1377 9.528,1378 8.767,1379 0.325,1380 0.246,1381 8.767,1382 6.653,1383 6.674,1384 0.222,1385 0.154,1386 6.674,1387 4.617,1388 5.055,1389 0.153,1390 0.097,1391 5.055,1392 3.185,1393 3.812,1394 0.106,1395 0.061,1396 3.812,1397 2.186,1398 0.303,1399 69.922,1400 0.244,1401 24.398,1402 0.418,1403 102,1404 170.666,1405 106.163,1406 174.622,1407 243.96,1408 166,1409 108,1410 180.507,1411 112.996,1412 185.394,1413 259.68,1414 176,1415 7.611}
{0 CHEMBL431058,1 1.597,2 15.5,3 3.292,4 10.838,5 115.907,6 7.301,7 0.414,8 4.07,9 4.194,10 3.605,11 3.564,12 5.148,13 3.528,14 4.596,15 4.785,16 3.89,17 3.884,18 5.633,19 3.825,20 4.782,21 4.987,22 3.899,23 4.034,24 5.786,25 3.917,26 4.87,27 5.119,28 3.873,29 3.999,30 5.87,31 3.853,32 4.828,33 5.09,34 3.778,35 3.919,36 5.758,37 3.769,38 4.704,39 4.953,40 3.711,41 3.866,42 5.664,43 3.7,44 4.661,45 4.911,46 3.591,47 3.77,48 5.626,49 3.602,50 4.569,51 4.831,52 3.52,53 3.63,54 5.507,55 3.491,56 0.021,57 0.767,58 11.94,59 5.029,60 8.35,61 6.691,62 0.358,63 1.178,64 23.731,65 7.513,66 31.576,67 10.447,68 0.358,69 1.362,70 29.671,71 10.509,72 38.765,73 13.813,74 0.35,75 1.42,76 34.723,77 11.354,78 58.848,79 15.237,80 0.453,81 1.332,82 34.333,83 10.512,84 53.021,85 14.114,86 0.412,87 1.214,88 29.525,89 10,90 47.5,91 13.224,92 0.362,93 1.134,94 29.839,95 9.55,96 49.503,97 12.405,98 0.403,99 1.023,100 27.116,101 7.771,102 45.385,103 10.634,104 18,105 36,106 0.266,107 0.579,108 0.755,109 0.835,110 0.856,111 0.856,112 3.372,113 0.985,114 -3.4,115 -3.38,116 -3.23,121 38.2,126 2,127 5,144 9,145 2,146 1,160 1,161 1,176 10,180 4,183 1,184 1,185 1,187 10,191 1,192 6,195 1,197 2,200 5,206 5,209 1,211 3,219 2,222 1,224 2,231 1,232 2,235 2,237 2,243 1,244 3,256 3,259 2,261 1,269 2,274 2,281 1392,282 18.905,283 18.905,284 18.905,285 18.905,286 18.905,287 17.184,288 21.846,289 11.767,290 19.538,291 14.271,292 14.271,293 14.271,294 14.271,295 14.271,296 11.644,297 24.685,298 5.584,299 15.157,300 4.184,301 2.31,302 1.251,303 0.768,304 0.646,305 0.646,306 4.042,311 1,312 1,313 895,314 4.416,318 238.803,325 2.393,326 22.977,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 60.5,338 434,339 4.201,340 3.833,341 6.052,342 3.838,343 2.845,344 3.772,345 1.773,346 8.683,347 2.826,348 3.927,349 3.463,350 5.484,351 3.596,352 2.625,353 3.455,354 0.99,355 7.392,356 2.558,357 3.778,358 2.95,359 5.298,360 3.371,361 2.445,362 3.112,363 0.916,364 6.777,365 2.269,366 3.536,367 2.82,368 5.022,369 3.12,370 2.212,371 2.741,372 0.86,373 6.004,374 2.023,375 3.294,376 2.463,377 4.819,378 3.09,379 2.159,380 2.364,381 0.86,382 5.518,383 1.955,384 2.861,385 2.239,386 4.041,387 2.583,388 1.689,389 1.97,390 0.172,391 3.594,392 1.508,393 2.8,394 1.988,395 3.731,396 2.409,397 1.42,398 1.816,399 0.14,400 3.219,401 1.399,402 2.662,403 1.577,404 3.565,405 2.272,406 1.303,407 1.649,409 2.985,410 1.238,411 2.5,412 1.477,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.5,421 1.069,422 3.247,423 2,424 1,425 1.5,427 2.136,428 1,429 2.072,430 1,431 3.176,432 1.907,433 0.98,434 1.038,436 2.058,437 0.897,438 1.646,439 1,440 2.815,441 1.354,442 0.482,443 0.539,445 0.761,446 0.416,447 1.36,448 0.936,449 2.65,450 1.174,451 0.27,452 0.285,454 0.569,455 0.241,456 1.016,457 0.729,458 2.393,459 0.779,460 -0.183,461 -0.207,463 -0.436,464 -0.174,465 1,466 0.192,467 2.07,468 0.509,469 -0.421,470 -0.473,472 -0.918,473 -0.383,474 13.533,475 0.483,476 0.506,477 0.018,478 32.5,479 1.161,480 15,481 0.536,482 17.5,483 0.625,484 22.601,485 0.807,486 31.467,487 0.572,488 24.871,489 0.888,490 7.133,491 0.255,492 6.447,493 0.23,494 0.16,496 0.214,501 0.876,502 1.399,503 0.744,504 1.077,505 0.647,506 1.046,507 1.295,508 0.985,509 0.874,510 0.858,511 0.75,512 0.91,513 1.067,514 1.108,515 1.067,516 1.08,517 0.973,518 1.112,519 0.92,520 1.116,521 0.966,522 1.073,523 0.989,524 1.034,525 1.108,526 0.908,527 0.99,528 0.908,529 1.116,530 0.902,531 0.751,532 0.957,533 1.017,534 1.019,535 0.9,536 1.019,537 0.981,538 1.106,539 1.186,540 1.152,541 1.033,542 1.055,543 1.095,544 0.871,545 1.022,546 0.966,547 1.166,548 0.92,549 5,550 0.107,551 2.222,552 1.313,553 1.053,554 0.667,555 0.344,556 0.208,557 0.189,558 0.071,559 11941,560 32387,561 1.976,562 49.1,564 25,567 2,572 1.7,573 1.867,574 3.899,575 0.247,576 1,577 1,582 87.844,583 1.597,584 3.471,585 4.531,586 5.013,587 5.136,588 5.136,589 3.387,590 4.209,591 4.781,592 4.087,593 1544.8,594 8.253,595 23537.3,597 1,599 1,600 317.975,601 1.287,602 4.745,603 0.172,604 0.006,605 0.062,606 0.038,607 0.034,608 0.024,609 0.013,610 0.009,611 0.009,612 0.003,613 0.37,614 0.33,615 1,616 0.744,617 148.36,618 -0.035,619 -0.208,620 0.028,621 -0.098,622 -0.041,623 -0.04,624 -0.088,625 0.104,627 0.055,628 0.02,629 0.032,630 -0.036,631 -0.071,632 -0.119,633 -0.091,634 -0.031,635 -0.13,636 0.025,637 -0.142,638 0.032,639 -0.091,640 0.112,641 -0.054,642 -0.049,643 0.055,644 0.042,645 0.058,646 -0.051,647 0.058,648 0.15,649 0.031,650 0.022,651 -0.006,652 0.075,653 -0.03,654 0.045,655 -0.134,656 -0.059,657 -0.098,658 0.033,659 -0.068,660 0.011,661 0.104,662 0.027,663 -0.006,664 -0.057,665 0.029,666 1.927,667 5.099,668 0.429,669 33.245,670 0.999,671 1.128,672 2.17,673 4.71,674 0.658,675 3.401,676 3.611,677 3.738,678 3.85,679 3.951,680 3.85,681 3.784,682 3.664,683 3.611,684 3.434,685 8.966,686 0.613,687 401.58,688 3.401,689 4.875,690 5.652,691 6.46,692 7.251,693 8.062,694 8.859,695 9.673,696 10.473,697 11.288,698 5.5,701 1,705 2,715 9,720 3,722 12,739 1,741 55,743 14,744 2,745 29,747 56,748 21,749 12,750 3,751 9,752 1,756 2,757 2,761 1,772 14,773 7,777 2,782 1,783 1,786 2,790 1,793 27,794 6,795 2,796 7,797 1,802 3,805 1,808 1,809 3,829 2,855 1,858 1,859 2,862 1,864 2,868 28,876 5,877 2,878 2,881 1,893 5.5,896 1,897 1,898 1,901 15,902 10.117,903 6.528,904 3.025,907 1.741,908 1.264,909 0.929,910 9.931,911 8.336,912 3.638,913 4.078,914 4.477,915 4.894,916 5.306,917 5.195,918 5.233,919 5.028,920 5.001,921 4.621,922 1,923 35,924 10.311,926 4.057,927 0.026,929 7.732,931 19.675,933 14.855,936 2.232,937 62.5,940 1,941 294.278,942 181.863,943 39.146,945 47.145,947 45.192,948 136.671,949 341.422,950 39.146,951 19.279,952 51.523,953 85.286,954 40.849,955 25.739,956 0.285,957 294.278,958 45.192,959 294.278,960 175.817,961 47.145,962 45.192,964 294.278,965 36.145,966 11,968 54.648,969 121.169,971 45.192,972 294.278,973 86.291,974 181.863,977 294.278,978 32.106,979 107.69,980 36.022,981 92.337,982 294.278,983 86.291,984 181.863,986 0.554,987 0.305,988 0.153,989 0.079,990 12,991 6,992 0.179,993 10,995 1,996 4.234,997 200.651,999 12,1000 126.606,1002 1,1005 22.304,1006 12.467,1007 8.719,1009 86.291,1010 17.164,1015 2.496,1017 36.022,1018 562.431,1019 37,1024 12.099,1025 5.14,1028 0.022,1031 54.967,1032 62.026,1034 0.276,1035 0.6,1036 0.784,1037 0.867,1038 0.888,1039 0.888,1040 4.812,1041 1.303,1042 5.572,1043 3.219,1044 4.29,1045 4.762,1046 2.551,1047 6.225,1048 4.189,1049 5.944,1050 1,1051 7.034,1052 2.985,1053 3.611,1054 4.27,1055 1.404,1056 6.804,1057 3.467,1058 7.184,1059 1,1060 8.592,1061 2.275,1062 5.733,1063 6.745,1064 2.989,1065 9.815,1066 5.559,1067 8.456,1068 0.98,1069 10.206,1070 2.136,1071 5.861,1072 7.04,1073 2.615,1074 11.223,1075 5.668,1076 9.758,1077 0.482,1078 11.857,1079 2.058,1080 7.413,1081 9.005,1082 3.777,1083 13.711,1084 7.197,1085 11.081,1086 0.27,1087 13.534,1088 0.761,1089 7.943,1090 9.685,1091 3.838,1092 15.485,1093 7.727,1094 12.42,1095 -0.183,1096 15.231,1097 0.569,1098 9.225,1099 11.405,1100 4.758,1101 17.772,1102 8.992,1103 2.845,1104 -0.421,1105 16.941,1106 -0.436,1107 9.974,1108 12.303,1109 5.046,1110 19.727,1111 9.748,1112 2.625,1113 8.683,1114 18.663,1115 -0.918,1116 11.121,1117 13.882,1118 5.825,1119 21.93,1120 10.885,1121 2.445,1122 7.392,1123 20.393,1124 3.772,1125 11.992,1126 14.917,1127 6.233,1128 23.978,1129 11.763,1130 2.212,1131 6.777,1132 22.132,1133 3.455,1134 13.072,1135 16.406,1136 6.931,1137 26.148,1138 12.838,1139 2.159,1140 6.004,1141 23.877,1142 3.112,1143 14.011,1144 17.533,1145 7.405,1146 28.245,1147 13.783,1148 1.689,1149 5.518,1150 25.628,1151 2.741,1152 15.06,1153 18.962,1154 8.054,1155 30.402,1156 14.828,1157 1.42,1158 3.594,1159 27.385,1160 2.364,1161 16.038,1162 20.151,1163 8.567,1164 32.526,1165 15.81,1166 11818,1167 19649,1168 19.068,1169 36.165,1170 41.102,1171 43.391,1172 42.072,1173 40.865,1174 40.866,1175 51.478,1176 11.425,1177 103.939,1178 38.658,1179 5.17,1180 5.833,1181 5.879,1182 4.914,1183 4.845,1184 6.772,1185 3.162,1186 14.821,1187 4.826,1188 14.233,1189 1.417,1190 1.496,1191 1.451,1192 1.409,1193 1.409,1194 1.775,1195 0.394,1196 3.584,1197 1.333,1198 3.95,1199 3.981,1200 3.965,1201 3.87,1202 7.429,1203 3.868,1204 3.913,1205 3.941,1206 3.845,1207 3.841,1208 4.876,1209 3.838,1210 3.695,1211 3.751,1212 3.82,1213 3.51,1214 4.823,1215 3.496,1216 3.583,1217 3.654,1218 3.523,1219 3.407,1220 4.756,1221 3.393,1222 3.41,1223 3.453,1224 3.302,1225 3.189,1226 4.57,1227 3.195,1228 3.242,1229 3.305,1230 3.243,1231 3.028,1232 4.339,1233 3.019,1234 3.133,1235 3.217,1236 2.941,1237 2.941,1238 4.174,1239 2.912,1240 2.963,1241 3.053,1242 2.912,1243 2.789,1244 3.801,1245 2.768,1246 0.145,1247 0.132,1248 0.209,1249 0.132,1250 0.098,1251 4.201,1252 0.13,1253 3.833,1254 0.061,1255 6.052,1256 0.299,1257 3.838,1258 0.097,1259 2.845,1260 3.772,1261 1.773,1262 8.683,1263 2.826,1264 1.915,1265 1.883,1266 2.049,1267 2.017,1268 1.209,1269 2.03,1270 1.897,1271 1.878,1272 1.995,1273 2.001,1274 1.079,1275 1.998,1276 1.626,1277 1.565,1278 1.859,1279 1.868,1280 1.065,1281 1.87,1282 1.524,1283 1.455,1284 1.755,1285 1.761,1286 0.983,1287 1.77,1288 1.31,1289 1.27,1290 1.577,1291 1.593,1292 0.693,1293 1.579,1294 1.192,1295 1.124,1296 1.526,1297 1.477,1298 0.578,1299 1.498,1300 1.122,1301 1.043,1302 1.36,1303 1.385,1304 0.5,1305 1.409,1306 0.997,1307 0.906,1308 1.342,1309 1.222,1310 0.359,1311 1.274,1312 4.078,1314 5.313,1316 6.725,1318 8.214,1320 9.743,1322 3.649,1328 3.412,1329 5.617,1330 10.69,1333 2.211,1340 33.717,1341 87.844,1342 190.916,1343 249.181,1344 275.71,1345 282.465,1346 282.465,1347 58.143,1348 6.596,1349 62.83,1350 94.92,1351 12,1352 11.877,1353 3.907,1354 3.17,1355 62.742,1356 154,1357 132,1358 0.191,1359 217.506,1360 382.1,1361 522.475,1362 6987,1364 20.192,1365 0.721,1366 0.612,1367 20.692,1368 17.128,1369 13.58,1370 0.468,1371 0.328,1372 8.985,1373 12.716,1374 8.676,1375 7.27,1376 13.868,1377 9.525,1378 11.344,1379 0.315,1380 0.186,1381 11.752,1382 6.683,1383 8.652,1384 0.211,1385 0.104,1386 8.914,1387 4.27,1388 6.559,1389 0.143,1390 0.058,1391 6.847,1392 2.69,1393 4.694,1394 0.092,1395 0.032,1396 4.863,1397 1.636,1398 0.322,1399 88.617,1400 0.229,1401 28.257,1402 0.467,1403 130,1404 410.378,1405 157.474,1406 410.724,1407 536.95,1408 384,1409 142,1410 351.894,1411 163.433,1412 368.122,1413 523.55,1414 341,1415 7.585}
{0 CHEMBL431519,1 1.384,2 18.371,3 5.556,4 30.874,5 142.605,6 6.01,7 0.158,8 4.453,9 4.597,10 3.837,11 3.902,12 5.311,13 3.849,14 5.095,15 5.318,16 4.185,17 4.341,18 5.908,19 4.252,20 5.384,21 5.638,22 4.233,23 4.547,24 6.097,25 4.407,26 5.502,27 5.791,28 4.134,29 4.574,30 6.194,31 4.395,32 5.454,33 5.744,34 3.985,35 4.47,36 6.177,37 4.27,38 5.367,39 5.684,40 3.839,41 4.287,42 6.037,43 4.089,44 5.119,45 5.399,46 3.802,47 4.122,48 5.898,49 3.967,50 5.061,51 5.333,52 3.742,53 4.063,54 5.912,55 3.919,56 0.085,57 1.148,58 20.867,59 7.747,60 10.456,61 11.509,62 0.597,63 1.866,64 39.241,65 12.716,66 41.961,67 19.504,68 0.487,69 2.31,70 50.486,71 17.318,72 37.152,73 26.375,74 0.517,75 2.412,76 55.651,77 18.784,78 48.247,79 28.914,80 0.52,81 2.167,82 52.785,83 18.141,84 53.552,85 27.428,86 0.592,87 1.823,88 48.069,89 15.503,90 48.702,91 23.661,92 0.49,93 1.534,94 38.497,95 12.29,96 40.876,97 18.626,98 0.567,99 1.458,100 36.922,101 11.012,102 50.487,103 16.925,104 17,105 52,106 0.214,107 0.442,108 0.666,109 0.776,110 0.824,111 0.851,112 3.587,113 1.091,114 -4.44,115 -4.37,116 -4.12,121 34.6,122 1,123 9,125 1,126 2,127 7,130 1,144 3,145 1,146 2,161 1,176 12,179 2,180 8,183 2,185 1,187 12,191 1,192 9,197 1,200 10,206 8,211 3,214 7,218 1,219 9,224 3,227 5,231 1,232 5,237 2,239 4,243 1,244 6,247 1,249 3,251 5,255 1,256 4,259 1,261 1,264 5,269 5,274 1,277 7,281 2636,282 23.758,283 23.758,284 23.758,285 23.758,286 23.758,287 22.942,288 32.09,289 14.525,290 24.403,291 18.783,292 18.783,293 18.783,294 18.783,295 18.783,296 17.416,297 42.083,298 6.987,299 19.773,300 4.956,301 3.483,302 2.035,303 1.324,304 1.016,305 0.843,306 4.283,312 1,313 1399,314 4.637,317 173.146,318 244.33,320 139.336,321 148.64,324 206.32,325 2.854,326 23.872,329 1,330 0.67,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.83,337 75,338 643,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 3.983,349 3.663,350 6.211,351 3.64,352 2.69,353 3.318,354 0.966,355 8.828,356 2.559,357 3.683,358 2.885,359 6.169,360 3.439,361 2.522,362 2.886,363 0.86,364 8.458,365 2.31,366 3.522,367 2.821,368 5.451,369 3.402,370 2.461,371 2.604,372 0.8,373 7.187,374 2.297,375 3.476,376 2.742,377 5.34,378 3.307,379 2.373,380 2.522,381 0.693,382 6.965,383 2.203,384 3.307,385 2.506,386 4.864,387 3.002,388 2.043,389 2.424,390 0.366,391 5.477,392 1.953,393 2.918,394 2.176,395 4.696,396 2.898,397 1.904,398 1.918,400 4.381,401 1.884,402 2.712,403 1.938,404 4.214,405 2.675,406 1.694,407 1.71,409 3.84,410 1.662,411 2.616,412 1.758,413 3.927,414 2.44,415 1.513,416 1.63,418 3.439,419 1.404,420 2.523,421 1.742,422 3.75,423 2.399,424 1.465,425 1.528,427 3.103,428 1.362,429 2.507,430 1.453,431 3.721,432 2.203,433 1.253,434 1.504,436 3.06,437 1.173,438 2.281,439 1.256,440 3.591,441 2.127,442 1.133,443 1.272,445 2.594,446 1.126,447 2,448 1.171,449 3.353,450 1.952,451 1,452 1,454 2.136,455 0.946,456 1.898,457 1.069,458 3.247,459 1.839,460 0.87,461 0.883,463 1.871,464 0.838,465 1.783,466 0.926,467 3.089,468 1.693,469 0.727,470 0.757,472 1.751,473 0.7,474 16.6,475 0.474,476 0.771,477 0.022,478 31.5,479 0.9,480 8.5,481 0.243,482 23,483 0.657,484 42.747,485 1.221,486 42.2,487 0.521,488 21.914,489 0.626,490 5.333,491 0.152,492 11.654,493 0.333,494 0.11,495 0.03,496 0.223,501 0.856,502 1.705,503 1.007,504 1.436,505 0.64,506 1.263,507 1.043,508 1.077,509 1.058,510 1.008,511 0.546,512 1.018,513 0.941,514 1.178,515 1.044,516 1.116,517 0.699,518 1.095,519 0.861,520 1.008,521 1.02,522 1.032,523 0.778,524 1.036,525 0.875,526 1.095,527 1.024,528 1.139,529 1.115,530 1.11,531 1.077,532 0.813,533 0.853,534 0.827,535 1.136,536 0.822,537 1.247,538 1.011,539 0.983,540 1.002,541 1.45,542 0.975,543 1.636,544 0.925,545 1.137,546 0.922,547 2.413,548 0.968,549 6,550 0.131,551 3.778,552 3.333,553 1.397,554 0.736,555 0.532,556 0.356,557 0.258,558 0.161,559 24485,560 45232,561 2.068,562 56.8,563 15,564 23,565 1,567 1,569 6,572 1.754,573 1.953,574 4.051,575 -0.401,582 112.083,583 1.384,584 2.857,585 4.305,586 5.015,587 5.324,588 5.497,589 3.468,590 4.901,591 5.099,592 4.329,593 2575.64,594 8.878,595 47126.5,600 513.528,601 1.412,602 5.063,603 0.158,604 0.005,605 0.073,606 0.063,607 0.03,608 0.02,609 0.016,610 0.011,611 0.009,612 0.006,613 0.391,614 0.33,615 0.75,616 0.504,617 199.314,618 0.028,619 -0.296,620 0.082,621 -0.13,622 0.016,623 -0.034,624 0.107,625 0.137,626 0.019,627 0.076,628 0.181,629 0.044,630 -0.03,631 -0.081,632 -0.037,633 -0.048,634 0.012,635 -0.046,636 -0.058,637 0.012,638 -0.049,639 -0.03,640 0.031,641 -0.033,642 0.011,643 -0.133,644 -0.06,645 -0.136,646 -0.03,647 -0.111,648 0.009,649 0.048,650 0.113,651 0.094,652 -0.024,653 0.113,654 0.01,655 -0.058,656 0.031,657 -0.027,658 0.008,659 -0.003,660 -0.121,661 0.054,662 -0.078,663 0.024,664 -0.146,665 -0.019,666 2.012,667 5.324,668 0.514,669 51.159,670 0.987,671 1.14,672 3.207,673 10.285,674 0.61,675 3.664,676 3.97,677 4.248,678 4.543,679 4.718,680 4.771,681 4.934,682 4.99,683 4.956,684 4.949,685 10.745,686 0.559,687 486.78,688 3.664,689 5.198,690 6.047,691 6.934,692 7.816,693 8.725,694 9.63,695 10.556,696 11.479,697 12.417,698 4.9,701 2,704 1,705 1,715 3,720 3,722 6,736 1,737 1,741 81,743 7,744 1,745 38,747 84,748 28,749 6,750 3,751 3,756 4,757 7,763 1,764 1,766 1,767 1,770 9,772 7,773 21,777 1,782 1,786 1,793 46,794 7,795 1,796 7,802 4,808 0.5,809 3,825 1,828 2,829 2,831 1,832 1,835 1,855 2,858 1,859 2,864 3,868 35,876 16,877 1,878 2,880 1,881 3,882 1,893 3.7,896 1,897 1,898 1,901 17.917,902 14.933,903 7.819,904 5.49,907 1.223,908 1.153,909 0.93,910 9.739,911 9.21,912 3.761,913 4.182,914 4.608,915 5.09,916 5.526,917 5.753,918 6.104,919 6.338,920 6.388,921 6.398,922 0.917,923 53,924 13.085,926 5.432,927 0.026,929 7.436,931 26.366,933 22.203,936 1.936,937 67.75,941 529.7,942 114.519,943 27.384,945 47.145,948 114.519,949 576.844,950 27.384,951 25.618,952 60.535,953 28.429,954 36.145,955 31.559,956 18.534,957 517.928,959 529.7,960 141.903,961 47.145,964 459.073,965 106.771,966 11,968 75.609,969 66.294,972 529.7,973 74.528,974 114.519,977 529.7,978 60.472,979 63.42,980 18.011,981 47.145,982 529.7,983 74.528,984 114.519,986 0.571,987 0.33,988 0.181,989 0.094,990 23,991 10,992 0.155,993 13,994 2,995 1.222,996 4.888,997 301.377,998 0.222,999 18,1000 173.525,1005 26.718,1006 12.757,1007 6.708,1009 74.528,1010 6.087,1015 3.175,1017 18.011,1018 718.747,1019 42,1024 12.324,1028 -0.346,1031 79.945,1032 92.341,1034 0.218,1035 0.451,1036 0.679,1037 0.791,1038 0.84,1039 0.867,1040 5.034,1041 1.694,1042 6.038,1043 4.381,1044 4.654,1045 4.868,1046 2.654,1047 6.907,1048 4.559,1049 6.168,1050 1.513,1051 7.631,1052 3.84,1053 4.29,1054 4.62,1055 1.961,1056 8.207,1057 4.165,1058 7.458,1059 1.465,1060 9.358,1061 3.439,1062 6.308,1063 6.812,1064 3.576,1065 11.39,1066 6.14,1067 8.793,1068 1.253,1069 11.178,1070 3.103,1071 6.889,1072 7.465,1073 3.621,1074 13.68,1075 6.715,1076 10.179,1077 1.133,1078 13.064,1079 3.06,1080 8.391,1081 9.179,1082 4.921,1083 16.509,1084 8.186,1085 11.603,1086 1,1087 15,1088 2.594,1089 9.412,1090 10.243,1091 5.294,1092 19.114,1093 9.209,1094 13.058,1095 0.87,1096 16.972,1097 2.136,1098 10.759,1099 11.79,1100 6.39,1101 21.866,1102 10.535,1103 3.737,1104 0.727,1105 18.971,1106 1.871,1107 11.965,1108 13.044,1109 6.931,1110 24.56,1111 11.736,1112 2.69,1113 15.306,1114 20.99,1115 1.751,1116 13.277,1117 14.527,1118 7.902,1119 27.295,1120 13.031,1121 2.522,1122 8.828,1123 23.024,1124 4.206,1125 14.552,1126 15.872,1127 8.539,1128 30.013,1129 14.294,1130 2.461,1131 8.458,1132 25.07,1133 3.318,1134 15.861,1135 17.329,1136 9.436,1137 32.743,1138 15.586,1139 2.373,1140 7.187,1141 27.124,1142 2.886,1143 17.163,1144 18.717,1145 10.13,1146 35.468,1147 16.87,1148 2.043,1149 6.965,1150 29.184,1151 2.604,1152 18.475,1153 20.163,1154 10.981,1155 38.197,1156 18.163,1157 1.904,1158 5.477,1159 31.25,1160 2.522,1161 19.786,1162 21.574,1163 11.71,1164 40.924,1165 19.455,1166 23032,1167 31497,1168 25.424,1169 49.376,1170 55.875,1171 56.998,1172 57.929,1173 55.707,1174 55.673,1175 61.247,1176 11.742,1177 158.73,1178 53.014,1179 5.832,1180 5.973,1181 7.942,1182 5.817,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 16.319,1189 1.47,1190 1.5,1191 1.524,1192 1.466,1193 1.465,1194 1.612,1195 0.309,1196 4.177,1197 1.395,1198 4.094,1199 4.132,1200 4.039,1201 3.996,1202 7.435,1203 4.002,1204 3.859,1205 3.924,1206 3.721,1207 3.708,1208 4.835,1209 3.696,1210 3.769,1211 3.833,1212 3.65,1213 3.59,1214 4.628,1215 3.592,1216 3.707,1217 3.752,1218 3.596,1219 3.562,1220 4.451,1221 3.565,1222 3.63,1223 3.696,1224 3.482,1225 3.465,1226 4.255,1227 3.458,1228 3.473,1229 3.536,1230 3.338,1231 3.263,1232 4.167,1233 3.265,1234 3.326,1235 3.403,1236 3.162,1237 3.094,1238 4.084,1239 3.108,1240 3.265,1241 3.353,1242 3.083,1243 3.046,1244 3.971,1245 3.039,1246 0.127,1247 0.105,1248 0.211,1249 0.124,1250 0.098,1251 4.832,1252 0.111,1253 3.973,1254 0.058,1255 8.006,1256 0.403,1257 4.714,1258 0.096,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.903,1265 1.884,1266 2.067,1267 2.012,1268 1.431,1269 2.027,1270 1.826,1271 1.764,1272 2.005,1273 1.997,1274 1.315,1275 1.997,1276 1.745,1277 1.681,1278 1.98,1279 1.947,1280 1.31,1281 1.966,1282 1.635,1283 1.579,1284 1.886,1285 1.839,1286 1.197,1287 1.857,1288 1.626,1289 1.561,1290 1.832,1291 1.834,1292 1.058,1293 1.837,1294 1.534,1295 1.454,1296 1.787,1297 1.754,1298 1.034,1299 1.775,1300 1.441,1301 1.371,1302 1.728,1303 1.678,1304 1.012,1305 1.693,1306 1.252,1307 1.187,1308 1.581,1309 1.528,1310 0.825,1311 1.541,1312 4.344,1314 5.652,1315 3.045,1316 7.157,1317 5.638,1318 8.77,1319 7.921,1320 10.457,1322 6.687,1328 18.115,1329 2.927,1330 11.03,1332 0.372,1333 7.298,1334 0.081,1340 45.293,1341 112.083,1342 231.402,1343 348.721,1344 406.244,1345 431.263,1346 445.263,1347 67.19,1348 7.986,1349 57.28,1350 57.28,1351 22,1352 12.918,1353 3,1354 2.322,1355 60.596,1356 228,1357 231,1358 0.123,1359 277.239,1360 492.43,1361 668.223,1362 42436,1364 24.675,1365 0.705,1366 0.634,1367 24.675,1368 22.189,1369 16.987,1370 0.447,1371 0.364,1372 13.625,1373 16.274,1374 13.246,1375 11.004,1376 16.987,1377 13.823,1378 14.96,1379 0.288,1380 0.21,1381 14.96,1382 10.91,1383 12.384,1384 0.179,1385 0.12,1386 12.384,1387 8.286,1388 10.561,1389 0.114,1390 0.068,1391 10.561,1392 6.298,1393 8.064,1394 0.073,1395 0.038,1396 8.064,1397 4.235,1398 0.209,1399 106.664,1400 0.198,1401 33.995,1402 0.297,1403 180,1404 430.475,1405 197.986,1406 403.889,1407 554.21,1408 382,1409 211,1410 404.278,1411 229.575,1412 407.075,1413 601.25,1414 381,1415 7.398}
{0 CHEMBL431784,1 1.543,2 7.684,3 1.997,4 3.988,5 74.162,6 6.878,7 0.286,8 3.745,9 3.878,10 3.25,11 3.206,12 4.766,13 3.192,14 4.333,15 4.532,16 3.676,17 3.658,18 5.35,19 3.622,20 4.574,21 4.768,22 3.716,23 3.85,24 5.512,25 3.772,26 4.745,27 5.004,28 3.505,29 3.828,30 5.627,31 3.694,32 4.572,33 4.851,34 3.335,35 3.617,36 5.431,37 3.468,38 4.321,39 4.573,40 3.082,41 3.352,42 5.214,43 3.222,44 4.12,45 4.391,46 2.968,47 3.097,48 5.09,49 2.977,50 3.917,51 4.16,52 2.672,53 2.795,54 5.054,55 2.727,56 0.021,57 0.571,58 8.888,59 3.279,60 6.589,61 4.768,62 0.37,63 0.927,64 17.287,65 5.583,66 30.731,67 8.349,68 0.15,69 1.132,70 21.662,71 7.663,72 23.981,73 11.197,74 0.363,75 1.165,76 27.171,77 8.229,78 43.564,79 12.616,80 0.243,81 0.928,82 22.807,83 7.509,84 32.075,85 11.378,86 0.293,87 0.698,88 17.995,89 5.623,90 29.145,91 8.226,92 0.188,93 0.573,94 14.609,95 4.436,96 24.154,97 6.786,98 0.374,99 0.443,100 12.604,101 2.596,102 38.371,103 4.062,104 20,105 32,106 0.283,107 0.63,108 0.812,109 0.873,110 0.873,111 0.873,112 3.012,113 0.936,114 -2.84,115 -2.85,116 -2.76,121 36.8,122 1,123 1,125 1,126 2,127 1,130 1,144 3,145 1,146 2,161 1,176 5,179 1,180 4,183 3,185 3,187 6,192 4,197 4,200 5,206 5,211 2,214 3,219 5,222 1,224 2,227 2,231 1,232 1,237 1,244 2,247 1,248 1,249 2,255 1,259 1,281 383,282 12.574,283 12.574,284 12.574,285 12.574,286 12.574,287 11.733,288 21.185,289 7.041,290 12.921,291 10.26,292 10.26,293 10.26,294 10.26,295 10.26,296 8.856,297 28.999,298 3.248,299 10.764,300 3.704,301 1.811,302 0.816,303 0.481,304 0.481,305 0.481,306 3.682,310 1,311 1,312 1,313 313,314 3.24,317 63.295,318 37.136,320 51.039,321 55.422,324 77.43,325 1.208,326 15.577,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 41.5,338 146,339 4.778,340 3.908,341 7.93,342 4.664,343 3.682,344 4.16,345 2.186,346 14.919,347 3.621,348 3.981,349 3.657,350 6.125,351 3.632,352 2.683,353 3.309,354 0.886,355 8.533,356 2.548,357 3.65,358 2.819,359 5.607,360 3.317,361 2.378,362 2.861,363 0.4,364 7.173,365 2.212,366 3.3,367 2.557,368 5.399,369 3.135,370 2.192,371 2.501,372 0.366,373 6.945,374 2.054,375 3.268,376 2.333,377 4.743,378 2.902,379 1.935,380 2.328,382 5.194,383 1.855,384 2.571,385 1.543,386 4.507,387 2.248,388 1.292,389 1.593,391 3.771,392 1.233,393 2.269,394 1.168,395 4.144,396 2.105,397 1.118,398 1.257,400 2.987,401 1.101,402 1.617,403 1.106,404 3.289,405 1.448,406 0.514,407 0.551,409 1.176,410 0.477,411 1.482,412 0.814,413 2.953,414 1.27,415 0.334,416 0.357,418 0.527,419 0.31,420 1.138,421 0.502,422 2.79,423 0.824,424 -0.143,425 -0.169,427 -0.323,428 -0.136,429 0.665,430 -0.114,431 2.42,432 0.364,433 -0.609,434 -0.707,436 -1.634,437 -0.582,438 0.601,439 -0.559,440 2.402,441 0.168,442 -0.823,443 -1,445 -2.604,446 -0.814,447 0.144,448 -0.687,449 2.265,450 -0.047,451 -1,452 -1.081,454 -2.723,455 -0.945,457 -0.793,458 1.963,459 -0.126,460 -1.098,461 -1.352,463 -2.965,464 -1.058,465 -0.205,466 -0.979,467 1.667,468 -0.443,469 -1.405,470 -1.708,472 -3.405,473 -1.369,474 8.867,475 0.467,476 0.63,477 0.033,478 21.5,479 1.132,480 8.5,481 0.447,482 13,483 0.684,484 16.091,485 0.847,486 21.733,487 0.572,488 14.368,489 0.756,490 4.138,491 0.218,492 4.903,493 0.258,494 0.207,495 0.056,496 0.327,501 0.85,502 1.549,503 0.852,504 1.247,505 0.627,506 1.067,507 0.672,508 0.84,509 0.787,510 0.772,511 0.398,512 0.776,513 0.949,514 1.364,515 1.054,516 1.282,517 0.675,518 1.202,519 1.123,520 0.961,521 1.151,522 1.012,523 0.955,524 1.068,525 0.685,526 0.996,527 0.853,528 1.056,529 0.761,530 0.997,531 1.275,532 0.968,533 1.086,534 1.03,535 1.064,536 1.047,537 0.806,538 1.134,539 0.831,540 1.129,541 1.014,542 1.017,543 2.366,544 0.686,545 1.486,546 0.682,547 3.306,548 0.91,549 5.5,551 3.333,552 2.271,553 1.081,554 0.528,555 0.456,556 0.234,557 0.143,558 0.045,559 2926,560 7195,561 2.038,562 50,563 3,564 11,565 1,567 2,569 2,572 1.605,573 1.854,574 2.911,575 0.393,577 1,579 1,582 58.653,583 1.543,584 3.437,585 4.432,586 4.767,587 4.767,588 4.767,589 2.439,590 4.037,591 4.216,592 3.02,593 516.498,594 7.194,595 4863.19,596 1,597 1,599 1,600 199.421,601 1.747,602 4.142,603 0.262,605 0.104,606 0.071,607 0.045,608 0.026,609 0.03,610 0.018,611 0.016,612 0.011,613 0.584,614 0.83,615 1,616 1.368,617 80.622,618 -0.052,619 -0.239,620 0.064,621 -0.088,622 -0.054,623 -0.004,624 0.264,625 0.346,626 0.175,627 0.263,628 0.24,629 0.22,630 -0.094,631 -0.249,632 -0.122,633 -0.196,634 0.009,635 -0.171,636 -0.18,637 0.022,638 -0.183,639 -0.048,640 -0.085,641 -0.102,642 0.095,643 -0.096,644 0.096,645 -0.069,646 0.043,647 0.003,648 -0.079,649 -0.076,650 -0.09,651 -0.054,652 -0.144,653 -0.078,654 0.189,655 -0.249,656 0.152,657 -0.181,658 0.128,659 -0.05,660 -0.378,661 0.239,662 -0.36,663 0.11,664 -0.481,665 -0.099,666 2.101,667 4.284,668 0.632,669 12.499,670 1.001,671 1.138,672 1.613,673 2.601,674 0.632,675 3.091,676 3.497,677 3.829,678 4.143,679 4.357,680 4.454,681 4.635,682 4.691,683 4.595,684 4.543,685 4.523,686 0.598,687 261.36,688 3.091,689 4.673,690 5.565,691 6.497,692 7.418,693 8.36,694 9.293,695 10.24,696 11.182,697 12.131,698 7.9,701 1,703 1,705 1,715 3,720 3,722 6,734 1,737 1,741 38,743 7,744 1,745 21,747 40,748 14,749 6,750 3,751 3,756 3,757 6,763 1,764 1,766 1,767 1,770 1,772 7,773 7,777 1,782 1,786 1,789 1,790 1,793 19,794 5,795 2,796 5,802 3,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 3,868 19,876 2,877 2,878 1,880 1,881 1,882 1,893 5.3,896 1,898 1,901 10.25,902 7.617,903 4.097,904 2.228,907 1.324,908 1.195,909 0.944,910 2.947,911 8.125,912 3.258,913 3.818,914 4.321,915 4.847,916 5.342,917 5.579,918 5.944,919 6.179,920 6.164,921 6.157,922 1,923 32,924 7.03,926 3.013,927 0.026,929 7.697,931 13.619,933 11.573,936 2.197,937 41.75,938 0.001,941 200.109,942 76.635,943 39.146,945 36.145,948 76.635,949 236.254,950 39.146,951 25.618,952 22.651,953 28.429,954 43.156,955 25.31,956 18.534,957 188.338,959 200.109,960 115.781,961 36.145,964 176.567,965 59.687,968 34.601,969 63.17,970 18.011,972 200.109,973 75.291,974 76.635,977 200.109,978 22.588,979 57.171,980 36.022,981 36.145,982 200.109,983 75.291,984 76.635,986 0.601,987 0.364,988 0.189,989 0.103,990 18,991 8,992 0.05,993 2,994 2,995 1.333,996 3.028,997 148.221,998 0.333,999 12,1000 80.711,1005 12.758,1006 4.389,1007 1.901,1009 75.291,1010 5.799,1015 2.975,1017 36.022,1018 352.035,1019 25,1024 11.284,1028 -0.434,1031 38.029,1032 43.235,1034 0.294,1035 0.655,1036 0.844,1037 0.908,1038 0.908,1039 0.908,1040 4.57,1041 0.514,1042 5.631,1043 2.987,1044 4.174,1045 4.5,1046 2.41,1047 6.592,1048 4.09,1049 5.794,1050 0.334,1051 7.296,1052 1.176,1053 4.111,1054 4.494,1055 1.847,1056 8.046,1057 4.019,1058 7.146,1059 -0.143,1060 9.082,1061 0.527,1062 5.964,1063 6.612,1064 3.516,1065 11.192,1066 5.826,1067 8.536,1068 -0.609,1069 10.945,1070 -0.323,1071 6.723,1072 7.361,1073 3.601,1074 13.516,1075 6.593,1076 9.962,1077 -0.823,1078 12.862,1079 -1.634,1080 8.156,1081 9.06,1082 4.909,1083 16.325,1084 7.999,1085 11.415,1086 -1,1087 14.818,1088 -2.604,1089 9.254,1090 10.144,1091 5.291,1092 18.922,1093 9.102,1094 12.889,1095 -1.098,1096 16.804,1097 -2.723,1098 10.576,1099 11.69,1100 6.388,1101 21.652,1102 10.407,1103 3.682,1104 -1.405,1105 18.813,1106 -2.965,1107 11.803,1108 12.938,1109 6.93,1110 24.325,1111 11.63,1112 2.683,1113 14.919,1114 20.837,1115 -3.405,1116 13.101,1117 14.418,1118 7.902,1119 27.035,1120 12.915,1121 2.378,1122 8.533,1123 22.874,1124 4.16,1125 14.375,1126 15.75,1127 8.539,1128 29.729,1129 14.179,1130 2.192,1131 7.173,1132 24.92,1133 3.309,1134 15.672,1135 17.201,1136 9.436,1137 32.434,1138 15.462,1139 1.935,1140 6.945,1141 26.972,1142 2.861,1143 16.964,1144 18.575,1145 10.13,1146 35.134,1147 16.741,1148 1.292,1149 5.194,1150 29.029,1151 2.501,1152 18.262,1153 20.013,1154 10.981,1155 37.837,1156 18.025,1157 1.118,1158 3.771,1159 31.09,1160 2.328,1161 19.561,1162 21.41,1163 11.71,1164 40.539,1165 19.308,1166 2958,1167 4716,1168 13.523,1169 24.017,1170 32.404,1171 33.575,1172 34.728,1173 32.214,1174 32.255,1175 37.835,1176 7.677,1177 102.449,1178 30.819,1179 5.74,1180 5.908,1181 7.482,1182 5.729,1183 5.682,1184 7.16,1185 3.889,1186 23.348,1187 5.621,1188 10.313,1189 1.543,1190 1.599,1191 1.654,1192 1.534,1193 1.536,1194 1.802,1195 0.366,1196 4.879,1197 1.468,1198 4.079,1199 4.118,1200 4.024,1201 3.985,1202 7.435,1203 3.99,1204 3.71,1205 3.751,1206 3.629,1207 3.564,1208 4.847,1209 3.568,1210 3.515,1211 3.581,1212 3.42,1213 3.206,1214 4.463,1215 3.251,1216 3.243,1217 3.34,1218 3.042,1219 3.037,1220 4.224,1221 3.024,1222 3.107,1223 3.187,1224 2.956,1225 2.88,1226 4.03,1227 2.887,1228 2.974,1229 3.079,1230 2.734,1231 2.752,1232 3.88,1233 2.728,1234 2.886,1235 2.954,1236 2.653,1237 2.629,1238 3.63,1239 2.601,1240 2.775,1241 2.847,1242 2.563,1243 2.569,1244 3.493,1245 2.593,1246 0.228,1247 0.186,1248 0.378,1249 0.222,1250 0.175,1251 4.778,1252 0.198,1253 3.908,1254 0.104,1255 7.93,1256 0.71,1257 4.664,1258 0.172,1259 3.682,1260 4.16,1261 2.186,1262 14.919,1263 3.621,1264 1.901,1265 1.882,1266 2.003,1267 1.99,1268 1.31,1269 1.992,1270 1.609,1271 1.557,1272 1.811,1273 1.81,1274 1.022,1275 1.809,1276 1.528,1277 1.443,1278 1.781,1279 1.772,1280 0.995,1281 1.78,1282 1.397,1283 1.324,1284 1.688,1285 1.709,1286 0.681,1287 1.707,1288 1.017,1289 0.941,1290 1.453,1291 1.306,1292 0.563,1293 1.354,1294 1,1295 0.898,1296 1.291,1297 1.29,1298 0.417,1299 1.3,1300 0.808,1301 0.738,1302 1.084,1303 1.157,1304 0.162,1305 1.145,1306 0.788,1307 0.721,1308 1.057,1309 0.973,1310 0.14,1311 1.013,1312 3.761,1314 5.142,1315 3.045,1316 6.72,1317 5.587,1318 8.395,1319 7.825,1320 10.131,1322 5.959,1328 2.186,1329 6.01,1330 5.218,1332 0.331,1333 2.333,1334 0.089,1340 22.708,1341 58.653,1342 130.609,1343 168.402,1344 181.157,1345 181.157,1346 181.157,1347 26.107,1348 6.8,1349 53.6,1350 53.6,1351 16,1352 12.622,1353 3,1354 2.322,1355 27.786,1356 51,1357 58,1358 0.285,1359 139.549,1360 242.8,1361 332.259,1362 6589,1364 13.621,1365 0.717,1366 0.605,1367 13.621,1368 11.487,1369 9.042,1370 0.431,1371 0.312,1372 6.434,1373 8.605,1374 6.181,1375 5.151,1376 9.042,1377 6.553,1378 8.659,1379 0.271,1380 0.173,1381 8.659,1382 5.542,1383 7.611,1384 0.169,1385 0.096,1386 7.611,1387 4.341,1388 6.223,1389 0.1,1390 0.052,1391 6.223,1392 3.203,1393 5.072,1394 0.066,1395 0.029,1396 5.072,1397 2.222,1398 0.426,1399 57.27,1400 0.272,1401 18.516,1402 0.84,1403 106,1404 287.782,1405 118.332,1406 273.508,1407 376.85,1408 256,1409 130,1410 283.402,1411 141.977,1412 286.053,1413 423.53,1414 267,1415 7.246}
{0 CHEMBL431844,1 1.287,2 5.688,3 2.677,4 7.164,5 64.458,6 7.01,7 0.579,8 3.525,9 3.65,10 3.078,11 3.175,12 4.498,13 3.128,14 4.109,15 4.268,16 3.508,17 3.663,18 4.982,19 3.589,20 4.404,21 4.637,22 3.476,23 3.717,24 5.243,25 3.599,26 4.291,27 4.546,28 3.325,29 3.537,30 5.223,31 3.428,32 4.128,33 4.37,34 2.952,35 3.389,36 5.004,37 3.236,38 4.002,39 4.294,40 2.479,41 3.155,42 4.651,43 2.924,44 3.681,45 4.022,46 1.605,47 2.638,48 4.169,49 2.307,50 2.948,51 3.356,52 0.472,53 1.67,54 3.258,55 1.267,56 0.036,57 0.436,58 6.579,59 2.823,60 5.833,61 3.915,62 0.05,63 0.763,64 12.264,65 5.44,66 7.364,67 7.597,68 0.102,69 1.001,70 17.845,71 7.039,72 13.979,73 10.137,74 0.166,75 0.917,76 16.444,77 5.672,78 22.46,79 8.313,80 0.127,81 0.765,82 13.755,83 4.883,84 18.558,85 7.084,86 0.073,87 0.608,88 12.493,89 5.212,90 11.96,91 7.507,92 0.047,93 0.411,94 9.415,95 3.984,96 7.912,97 5.796,98 0.028,99 0.181,100 4.742,101 1.88,102 4.286,103 2.8,104 2,105 29,106 0.244,107 0.623,108 0.732,109 0.843,110 0.881,111 0.881,112 2.859,113 0.951,114 -3.7,115 -3.67,116 -3.49,121 46.7,123 3,124 2,144 4,145 2,146 1,148 2,165 1,166 1,167 1,176 10,180 4,185 2,187 13,189 2,192 5,197 2,200 5,203 2,206 2,208 1,209 1,211 5,214 7,216 5,224 2,227 10,229 2,239 8,251 2,281 158,282 11.154,283 11.154,284 11.154,285 11.154,286 11.154,287 9.864,288 9.464,289 6.347,290 11.216,291 9.394,292 9.394,293 9.394,294 9.394,295 9.394,296 7.413,297 7.798,298 3.017,299 9.514,300 3.62,301 1.625,302 1.05,303 0.467,304 0.267,305 0.267,306 3.555,311 1,312 1,313 213,314 1.871,317 39.028,318 71.832,321 33.828,322 79.771,325 0.852,326 8.737,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 33,338 91,339 4.698,340 3.557,341 7.036,342 4.353,343 3.367,344 4.579,346 12.055,347 3.322,348 4.125,349 2.873,350 6.299,351 3.794,352 2.802,353 3.603,355 9.436,356 2.778,357 3.551,358 2.453,359 5.697,360 3.209,361 2.234,362 2.914,364 7.421,365 2.177,366 3.102,367 1.933,368 5.06,369 2.842,370 1.855,371 2.269,373 5.642,374 1.83,375 2.842,376 1.69,377 4.816,378 2.588,379 1.604,380 1.944,382 4.925,383 1.576,384 2.834,385 1.401,386 3.768,387 2.387,388 1.392,389 1.904,391 3.038,392 1.384,393 2.26,394 0.974,395 3.618,396 1.886,397 0.904,398 1.191,400 2.285,401 0.886,402 1.682,403 0.661,404 3.27,405 1.653,406 0.656,407 0.668,409 1.625,410 0.654,411 1.294,412 0.104,413 3.048,414 0.916,415 -0.032,416 -0.04,418 -0.086,419 -0.03,420 0.994,421 -0.331,422 2.658,423 0.578,424 -0.403,425 -0.531,427 -1.116,428 -0.394,429 0.57,430 -0.767,431 2.258,432 0.131,433 -0.854,434 -1.149,436 -2.058,437 -0.839,438 0.18,439 -0.969,440 2.09,441 -0.138,442 -1.122,443 -1.349,445 -3.267,446 -1.103,447 -0.197,448 -1.148,449 2,450 -0.326,451 -1.321,452 -1.494,454 -3.821,455 -1.314,456 -0.245,457 -1.391,458 1.515,459 -0.514,460 -1.492,461 -1.751,463 -4.44,464 -1.461,465 -0.406,466 -1.632,467 1.382,468 -0.66,469 -1.645,470 -1.967,472 -4.947,473 -1.615,474 7.8,475 0.488,476 0.415,477 0.026,478 20.75,479 1.297,480 10.5,481 0.656,482 10.25,483 0.641,484 11.748,485 0.734,486 16.2,487 0.54,488 10.733,489 0.671,490 3.472,491 0.217,492 4.371,493 0.273,494 0.051,496 0.449,501 1.033,502 0.94,503 0.832,504 0.839,505 1.109,506 0.824,507 0.653,508 1.11,509 0.852,510 1.022,511 0.556,512 0.965,513 0.94,514 1.23,515 0.958,516 1.094,517 0.771,518 1.04,519 1.535,520 0.984,521 1.005,522 0.876,523 1.404,524 0.896,525 1.881,526 1.012,527 1.422,528 1.119,529 1.974,530 1.214,531 0.687,532 0.911,533 1.105,534 1.104,535 0.926,536 1.131,537 0.284,538 0.892,539 0.965,540 1.082,541 0.425,542 1.077,543 0.163,544 0.511,545 0.553,546 0.62,547 0.247,548 0.617,549 2.5,551 2,552 1.285,553 1.24,554 0.396,555 0.056,559 1985,560 3676,561 2.287,562 46.7,563 7,564 4,567 2,568 1,572 1.558,573 2.182,574 2.558,575 0.329,577 1,579 1,582 38.601,583 1.287,584 3.282,585 3.857,586 4.44,587 4.64,588 4.64,589 1.924,590 3.625,591 3.981,592 2.563,593 307.613,594 6.728,595 2522.99,597 1,600 147.207,601 1.272,602 3.951,603 0.132,605 0.069,606 0.049,607 0.056,608 0.028,609 0.007,613 0.342,614 1,615 1,616 0.5,617 61.344,618 -0.099,619 0.148,620 0.058,621 0.137,622 -0.087,623 0.115,624 0.062,625 -0.1,626 0.046,627 -0.029,628 0.095,629 0.001,630 0.069,631 -0.251,632 0.002,633 -0.136,634 0.109,635 -0.084,636 -0.015,637 0.067,638 -0.002,639 0.035,640 0.014,641 0.021,642 -0.491,643 0.033,644 -0.449,645 -0.204,646 -0.459,647 -0.302,648 -0.074,649 -0.042,650 -0.138,651 -0.106,652 -0.152,653 -0.123,654 0.132,655 -0.11,656 0.029,657 -0.062,658 0.045,659 -0.032,660 0.335,661 0.217,662 0.511,663 0.406,664 0.257,665 0.46,666 0.673,667 2.317,668 0.938,669 6.875,670 0.984,671 1.116,672 2.472,673 6.111,674 0.686,675 2.996,676 3.401,677 3.807,678 4.19,679 4.443,680 4.575,681 4.718,682 4.844,683 4.883,684 4.691,685 3.484,686 0.64,687 210.3,688 2.996,689 4.575,690 5.493,691 6.428,692 7.362,693 8.303,694 9.242,695 10.185,696 11.126,697 12.071,698 6.7,702 1,708 1,714 2,715 4,716 1,720 3,722 11,733 1,741 30,743 11,744 1,745 19,747 33,748 14,749 9,750 2,751 4,756 4,757 10,767 3,768 2,770 3,772 9,773 5,774 2,790 1,793 14,794 2,795 2,796 2,802 2,808 0.25,822 1,828 2,829 3,832 1,833 2,859 1,868 16,869 1,876 3,880 2,901 7.333,902 5.283,903 3.333,904 2.017,907 2.414,908 1.347,909 1.085,910 1.543,911 9.371,912 3.239,913 3.922,914 4.62,915 5.285,916 5.894,917 6.28,918 6.705,919 7.087,920 7.406,921 7.322,922 0.75,923 26,924 5.948,926 2.706,927 0.026,929 7.406,931 11.96,933 11.114,936 1.906,937 30.5,938 0.008,941 141.253,942 58.925,943 49.683,948 58.925,949 141.253,950 49.683,952 7.604,953 70.802,954 16.786,955 13.416,957 141.253,959 141.253,960 108.607,964 141.253,968 12.504,969 79.317,970 16.786,972 141.253,973 49.683,974 58.925,977 141.253,978 21.02,979 37.905,981 49.683,982 141.253,983 49.683,984 58.925,986 0.6,987 0.376,988 0.223,989 0.118,990 19,991 7,994 4,995 1.467,996 2.872,997 127.01,998 0.533,999 14,1000 64,1005 8.715,1006 2.833,1007 1.014,1008 2.195,1009 49.683,1010 8.232,1011 4.819,1015 3.662,1017 32.897,1018 249.861,1019 24.5,1031 29.505,1032 33.488,1034 0.262,1035 0.669,1036 0.786,1037 0.905,1038 0.946,1039 0.946,1040 4.519,1041 0.656,1042 5.509,1043 2.285,1044 4.078,1045 4.605,1047 6.428,1048 4.05,1049 5.747,1050 -0.032,1051 7.128,1052 1.625,1053 3.761,1054 4.543,1056 7.496,1057 3.718,1058 7.089,1059 -0.403,1060 8.85,1061 -0.086,1062 5.765,1063 6.91,1065 10.685,1066 5.712,1067 8.472,1068 -0.854,1069 10.63,1070 -1.116,1071 6.312,1072 7.711,1074 12.595,1075 6.245,1076 9.893,1077 -1.122,1078 12.449,1079 -2.058,1080 7.79,1081 9.564,1083 15.306,1084 7.713,1085 11.339,1086 -1.321,1087 14.294,1088 -3.267,1089 8.717,1090 10.754,1092 17.554,1093 8.626,1094 12.806,1095 -1.492,1096 16.158,1097 -3.821,1098 10.008,1099 12.405,1101 20.11,1102 9.905,1103 3.367,1104 -1.645,1105 18.037,1106 -4.44,1107 11.096,1108 13.773,1110 22.496,1111 10.979,1112 2.802,1113 12.055,1114 19.926,1115 -4.947,1116 12.323,1117 15.343,1119 25.001,1120 12.194,1121 2.234,1122 9.436,1123 21.825,1124 4.579,1125 13.478,1126 16.793,1128 27.445,1129 13.336,1130 1.855,1131 7.421,1132 23.731,1133 3.603,1134 14.686,1135 18.33,1137 29.934,1138 14.531,1139 1.604,1140 5.642,1141 25.644,1142 2.914,1143 15.87,1144 19.817,1146 32.402,1147 15.701,1148 1.392,1149 4.925,1150 27.561,1151 2.269,1152 17.075,1153 21.343,1155 34.888,1156 16.892,1157 0.904,1158 3.038,1159 29.483,1160 1.944,1161 18.272,1162 22.847,1164 37.367,1165 18.075,1166 1850,1167 2579,1168 13.235,1169 20.58,1170 29.566,1171 29.625,1172 30.286,1173 29.677,1174 29.63,1175 38.145,1177 92.854,1178 29.214,1179 5.644,1180 5.557,1181 6.718,1182 5.398,1183 5.367,1184 7.579,1186 19.696,1187 5.322,1188 4.161,1189 1.556,1190 1.559,1191 1.594,1192 1.562,1193 1.559,1194 2.008,1196 4.887,1197 1.538,1198 4.152,1199 4.182,1200 4.109,1201 4.084,1202 5.147,1203 4.086,1204 3.836,1205 3.875,1206 3.743,1207 3.769,1208 4.783,1209 3.758,1210 3.309,1211 3.377,1212 3.196,1213 3.181,1214 4.441,1215 3.178,1216 3.07,1217 3.148,1218 2.979,1219 2.897,1220 4.051,1221 2.906,1222 2.864,1223 2.964,1224 2.625,1225 2.689,1226 3.675,1227 2.661,1228 2.753,1229 2.837,1230 2.564,1231 2.611,1232 3.286,1233 2.589,1234 2.67,1235 2.797,1236 2.429,1237 2.379,1238 3.227,1239 2.372,1240 2.456,1241 2.52,1242 2.299,1243 2.291,1244 3.021,1245 2.292,1246 0.247,1247 0.187,1248 0.37,1249 0.229,1250 0.177,1251 4.698,1252 0.241,1253 3.557,1255 7.036,1256 0.634,1257 4.353,1258 0.175,1259 3.367,1260 4.579,1262 12.055,1263 3.322,1264 2.047,1265 2.024,1266 2.117,1267 2.13,1268 1.361,1269 2.128,1270 1.676,1271 1.634,1272 1.87,1273 1.792,1274 1.176,1275 1.821,1276 1.524,1277 1.469,1278 1.757,1279 1.671,1280 1.122,1281 1.704,1282 1.275,1283 1.216,1284 1.484,1285 1.475,1286 0.599,1287 1.487,1288 0.975,1289 0.911,1290 1.202,1291 1.219,1292 0.234,1293 1.217,1294 0.667,1295 0.585,1296 1.051,1297 0.995,1298 0.093,1299 1.029,1300 0.62,1301 0.522,1302 0.869,1303 0.765,1304 0.08,1305 0.803,1306 0.3,1307 0.147,1308 0.865,1309 0.659,1311 0.74,1312 3.664,1314 5.043,1315 3.045,1316 6.648,1317 5.416,1318 8.357,1319 7.545,1320 10.122,1326 6.317,1328 3.896,1332 1.379,1340 19.204,1341 38.601,1342 98.452,1343 115.697,1344 133.207,1345 139.207,1346 139.207,1347 16.854,1348 6.957,1349 38.91,1350 38.91,1351 22,1352 12.564,1353 3.585,1354 2.7,1355 19.27,1356 37,1357 23,1358 0.303,1359 114.441,1360 188.32,1361 270.997,1362 8149,1364 10.698,1365 0.669,1366 0.569,1367 10.698,1368 9.11,1369 7.843,1370 0.413,1371 0.317,1372 5.999,1373 7.751,1374 5.88,1375 4.806,1376 7.843,1377 6.024,1378 7.378,1379 0.254,1380 0.174,1381 7.378,1382 5.048,1383 6.983,1384 0.159,1385 0.096,1386 6.983,1387 4.229,1388 6.48,1389 0.1,1390 0.054,1391 6.48,1392 3.504,1393 5.197,1394 0.062,1395 0.028,1396 5.197,1397 2.369,1398 0.433,1399 47.757,1400 0.275,1401 15.382,1402 0.966,1403 96,1404 184.957,1405 99.081,1406 189.925,1407 278.75,1408 180,1409 121,1410 222.662,1411 124.664,1412 229.162,1413 344.58,1414 219,1415 6.62}
{0 CHEMBL432376,1 1.37,2 14.063,3 3.885,4 15.092,5 127.561,6 6.502,7 0.457,8 4.273,9 4.399,10 3.732,11 3.784,12 5.246,13 3.74,14 4.869,15 5.069,16 4.087,17 4.21,18 5.727,19 4.147,20 5.143,21 5.35,22 4.188,23 4.44,24 6.015,25 4.325,26 5.346,27 5.608,28 4.118,29 4.483,30 6.138,31 4.324,32 5.322,33 5.596,34 4.046,35 4.406,36 6.127,37 4.249,38 5.214,39 5.473,40 3.939,41 4.337,42 6.049,43 4.177,44 5.169,45 5.449,46 3.802,47 4.24,48 5.981,49 4.054,50 5.013,51 5.294,52 3.698,53 4.113,54 5.771,55 3.937,56 0.053,57 0.925,58 15.998,59 6.611,60 11.097,61 9.173,62 0.296,63 1.546,64 30.136,65 10.671,66 21.804,67 15.299,68 0.417,69 1.97,70 39.225,71 15.305,72 36.706,73 21.671,74 0.412,75 2.232,76 48.336,77 18.194,78 48.07,79 26.228,80 0.513,81 2.1,82 47.753,83 17.211,84 56.936,85 24.761,86 0.4,87 1.934,88 42.636,89 15.636,90 50.468,91 22.417,92 0.635,93 1.807,94 40.98,95 14.791,96 63.734,97 21.597,98 0.298,99 1.559,100 34.577,101 13.1,102 34.855,103 18.866,104 30,105 50,106 0.217,107 0.514,108 0.741,109 0.807,110 0.818,111 0.823,112 3.502,113 1.004,114 -0.81,115 -0.92,116 -1.03,121 40.3,123 4,124 1,126 4,127 3,144 8,145 2,146 2,154 2,159 1,176 12,180 6,187 12,189 3,191 2,192 7,200 8,203 3,205 1,206 5,214 4,216 3,218 1,219 6,227 9,229 2,232 2,239 12,243 2,244 2,246 1,251 11,256 2,258 1,264 9,266 1,269 3,277 3,279 1,281 1752,282 21.602,283 21.602,284 21.602,285 21.602,286 21.602,287 19.576,288 24.672,289 12.477,290 22.149,291 17.11,292 17.11,293 17.11,294 17.11,295 17.11,296 13.907,297 27.808,298 5.747,299 17.804,300 4.696,301 2.823,302 1.392,303 0.982,304 0.911,305 0.881,306 4.195,311 1,312 1,313 971,314 3.873,317 79.275,318 337.352,321 150.431,325 2.133,326 22.106,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 68,338 450,339 4.685,340 3.68,341 6.998,342 4.224,343 3.303,344 4.639,345 1.277,346 11.915,347 3.147,348 4.326,349 3.65,350 6.803,351 4.216,352 3.253,353 3.652,354 1.26,355 11.168,356 3.033,357 4.132,358 3.263,359 6.177,360 3.753,361 2.793,362 3.531,363 0.86,364 9.096,365 2.695,366 3.808,367 2.886,368 5.793,369 3.48,370 2.486,371 3.161,372 0.86,373 7.645,374 2.465,375 3.712,376 2.605,377 5.35,378 3.372,379 2.382,380 3.046,381 0.245,382 6.959,383 2.338,384 3.375,385 2.38,386 5.252,387 3.249,388 2.254,389 2.627,391 6.672,392 2.226,393 3.291,394 2.225,395 5.031,396 2.834,397 1.878,398 2.391,400 5.636,401 1.791,402 2.874,403 1.914,404 4.496,405 2.459,406 1.509,407 2.025,409 4.152,410 1.443,411 2.841,412 1.54,413 4.113,414 2.43,415 1.438,416 1.904,418 3.234,419 1.413,420 2.517,421 1.534,422 3.802,423 2.155,424 1.22,425 1.506,427 3.07,428 1.126,429 2.5,430 1.116,431 3.71,432 2,433 1,434 1.5,436 2.372,437 1,438 2,439 1.077,440 3.342,441 1.984,442 1,443 1,445 2.136,446 0.983,447 1.808,448 1.001,449 3.247,450 1.656,451 0.663,452 0.726,454 1.504,455 0.65,456 1.72,457 1,458 3.19,459 1.39,460 0.452,461 0.548,463 0.923,464 0.421,465 1.485,466 0.823,467 2.973,468 1.212,469 0.36,470 0.393,472 0.49,473 0.304,474 15.3,475 0.478,476 0.838,477 0.026,478 37,479 1.156,480 16.5,481 0.516,482 20.5,483 0.641,484 32.467,485 1.015,486 36,487 0.537,488 28.447,489 0.889,490 7.231,491 0.226,492 8.189,493 0.256,494 0.153,495 0.026,496 0.288,501 0.813,502 1.484,503 0.907,504 1.258,505 0.605,506 1.115,507 1.294,508 0.946,509 0.966,510 0.833,511 0.681,512 0.841,513 0.795,514 1.201,515 1.078,516 1.185,517 0.848,518 1.166,519 0.791,520 1.087,521 0.987,522 1.096,523 0.954,524 1.069,525 1.042,526 0.924,527 0.956,528 0.934,529 1.16,530 0.936,531 1.082,532 1.054,533 1.091,534 1.07,535 1.522,536 1.079,537 0.744,538 0.946,539 1.004,540 0.979,541 1.05,542 1.015,543 0.741,544 0.943,545 0.922,546 0.997,547 0.79,548 0.984,549 7.5,550 0.241,551 4,552 2.639,553 2.294,554 1.126,555 0.803,556 0.539,557 0.233,558 0.237,559 15644,560 32896,561 2.056,562 52.2,563 3,564 26,568 2,569 4,572 1.739,573 1.91,574 3.759,575 -0.836,582 91.766,583 1.37,584 3.243,585 4.674,586 5.084,587 5.155,588 5.185,589 3.23,590 4.625,591 4.971,592 3.945,593 1956.58,594 8.664,595 29769.2,600 406.428,601 1.574,602 4.918,603 0.214,604 0.009,605 0.08,606 0.051,607 0.05,608 0.026,609 0.021,610 0.017,611 0.008,612 0.009,613 0.485,614 0.5,615 1,616 0.825,617 171.199,618 0.032,619 -0.245,620 0.081,621 -0.109,622 0.019,623 -0.026,624 -0.143,625 0.205,626 0.058,627 0.187,628 0.023,629 0.157,630 0.082,631 -0.111,632 -0.1,633 -0.132,634 0.05,635 -0.137,636 0.033,637 -0.1,638 -0.021,639 -0.102,640 0.016,641 -0.073,642 -0.014,643 0.027,644 0.032,645 0.031,646 -0.012,647 0.036,648 -0.09,649 -0.07,650 -0.107,651 -0.085,652 -0.128,653 -0.096,654 0.166,655 0.01,656 -0.029,657 -0.017,658 0.068,659 -0.042,660 0.033,661 0.01,662 0.036,663 -0.017,664 0.063,665 0.006,666 1.45,667 6.068,668 0.656,669 36.953,670 0.989,671 1.127,672 -0.42,673 0.176,674 0.641,675 3.584,676 3.932,677 4.205,678 4.454,679 4.691,680 4.745,681 4.844,682 4.956,683 4.89,684 4.852,685 8.173,686 0.595,687 435.64,688 3.584,689 5.142,690 5.999,691 6.891,692 7.767,693 8.663,694 9.548,695 10.447,696 11.336,697 12.238,698 3,706 1,712 1,714 2,715 8,720 4,721 1,722 16,727 1,739 2,741 67,743 17,744 2,745 35,747 70,748 27,749 14,750 5,751 7,752 1,756 4,757 5,767 2,768 1,770 4,772 15,773 12,774 1,777 1,782 1,786 1,793 35,794 3,796 5,802 2,803 1,807 1,808 0.75,809 3,824 1,828 1,829 3,832 1,859 3,864 4,868 32,876 7,878 2,880 1,883 1,893 4.5,896 1,898 2,901 16.75,902 13.2,903 7.097,904 4.182,907 2.821,908 1.357,909 0.949,910 6.921,911 10.711,912 3.807,913 4.404,914 4.979,915 5.558,916 6.095,917 6.404,918 6.764,919 7.101,920 7.032,921 6.86,922 1,923 52,924 11.895,926 4.981,927 0.026,929 7.531,931 23.46,933 19.618,936 2.031,937 65,941 411.989,942 157.104,943 1.899,945 47.145,948 157.104,949 459.133,950 1.899,951 38.559,952 16.455,953 75.81,954 30.278,955 40.144,956 4.901,957 411.989,959 411.989,960 159.003,961 47.145,964 364.904,965 94.229,968 18.354,969 140.649,972 411.989,973 49.044,974 157.104,977 411.989,978 42.735,979 116.268,981 47.145,982 411.989,983 49.044,984 157.104,986 0.584,987 0.35,988 0.185,989 0.104,990 24,991 11,992 0.114,993 8,994 1,995 1.095,996 4.335,997 286.979,998 0.095,999 21,1000 146,1005 22.88,1006 9.679,1007 5.049,1008 1.984,1009 47.145,1010 16.642,1015 3.533,1016 1.98,1018 618.136,1019 44,1024 13.068,1028 0.216,1031 66.265,1032 75.476,1034 0.226,1035 0.535,1036 0.77,1037 0.838,1038 0.85,1039 0.855,1040 5.069,1041 1.509,1042 6.019,1043 5.636,1044 4.615,1045 5.091,1046 2.271,1047 6.876,1048 4.543,1049 6.286,1050 1.438,1051 7.614,1052 4.152,1053 4.369,1054 5.017,1055 0.931,1056 8.05,1057 4.226,1058 7.616,1059 1.22,1060 9.316,1061 3.234,1062 6.301,1063 7.312,1064 2.428,1065 11.072,1066 6.143,1067 8.982,1068 1,1069 11.081,1070 3.07,1071 6.868,1072 8.064,1073 1.381,1074 13.046,1075 6.619,1076 10.381,1077 1,1078 12.887,1079 2.372,1080 8.302,1081 9.878,1082 2.737,1083 15.654,1084 8.035,1085 11.802,1086 0.663,1087 14.72,1088 2.136,1089 9.216,1090 11.022,1091 1.783,1092 17.925,1093 8.857,1094 13.241,1095 0.452,1096 16.573,1097 1.504,1098 10.476,1099 12.654,1100 3.126,1101 20.419,1102 10.084,1103 3.303,1104 0.36,1105 18.442,1106 0.923,1107 11.54,1108 13.995,1109 2.192,1110 22.802,1111 11.066,1112 3.253,1113 11.915,1114 20.322,1115 0.49,1116 12.741,1117 15.557,1118 3.559,1119 25.264,1120 12.222,1121 2.793,1122 11.168,1123 22.211,1124 4.639,1125 13.871,1126 16.997,1127 2.615,1128 27.691,1129 13.278,1130 2.486,1131 9.096,1132 24.107,1133 3.652,1134 15.054,1135 18.534,1136 4.015,1137 30.147,1138 14.409,1139 2.382,1140 7.645,1141 26.01,1142 3.531,1143 16.213,1144 20.021,1145 3.05,1146 32.592,1147 15.501,1148 2.254,1149 6.959,1150 27.918,1151 3.161,1152 17.392,1153 21.551,1154 4.483,1155 35.048,1156 16.625,1157 1.878,1158 6.672,1159 29.83,1160 3.046,1161 18.564,1162 23.061,1163 3.495,1164 37.501,1165 17.735,1166 14876,1167 21762,1168 23.057,1169 42.938,1170 52.435,1171 53.758,1172 54.839,1173 52.082,1174 52.079,1175 65.406,1176 9.005,1177 154.188,1178 50.168,1179 5.685,1180 5.68,1181 6.8,1182 5.259,1183 5.303,1184 7.639,1185 2.555,1186 19.229,1187 5.147,1188 16.905,1189 1.498,1190 1.536,1191 1.567,1192 1.488,1193 1.488,1194 1.869,1195 0.257,1196 4.405,1197 1.433,1198 4.155,1199 4.183,1200 4.122,1201 4.056,1202 7.427,1203 4.069,1204 4.009,1205 4.066,1206 3.914,1207 3.893,1208 4.997,1209 3.89,1210 3.84,1211 3.88,1212 3.74,1213 3.748,1214 4.757,1215 3.74,1216 3.653,1217 3.687,1218 3.583,1219 3.488,1220 4.611,1221 3.504,1222 3.504,1223 3.56,1224 3.38,1225 3.307,1226 4.496,1227 3.317,1228 3.278,1229 3.341,1230 3.138,1231 3.078,1232 4.368,1233 3.08,1234 3.252,1235 3.317,1236 3.07,1237 2.985,1238 3.979,1239 2.99,1240 3.142,1241 3.237,1242 2.912,1243 2.941,1244 3.916,1245 2.91,1246 0.134,1247 0.105,1248 0.2,1249 0.121,1250 0.094,1251 4.685,1252 0.133,1253 3.68,1254 0.036,1255 6.998,1256 0.34,1257 4.224,1258 0.09,1259 3.303,1260 4.639,1261 1.277,1262 11.915,1263 3.147,1264 1.972,1265 1.926,1266 2.146,1267 2.14,1268 1.543,1269 2.146,1270 1.923,1271 1.908,1272 2.016,1273 2.034,1274 1.226,1275 2.02,1276 1.857,1277 1.816,1278 1.992,1279 1.96,1280 1.157,1281 1.98,1282 1.692,1283 1.651,1284 1.855,1285 1.872,1286 1.061,1287 1.867,1288 1.479,1289 1.405,1290 1.721,1291 1.698,1292 0.885,1293 1.713,1294 1.276,1295 1.22,1296 1.59,1297 1.549,1298 0.825,1299 1.561,1300 1.218,1301 1.15,1302 1.575,1303 1.522,1304 0.754,1305 1.538,1306 1.18,1307 1.099,1308 1.546,1309 1.448,1310 0.593,1311 1.483,1312 4.263,1314 5.602,1315 2.398,1316 7.138,1317 4.844,1318 8.759,1319 7.034,1320 10.424,1322 7.583,1328 7.419,1330 10.84,1332 0.635,1335 1.099,1340 39.879,1341 91.766,1342 217.291,1343 313.144,1344 340.654,1345 345.408,1346 347.408,1347 58.701,1348 7.891,1349 40.46,1350 40.46,1351 23,1352 12.761,1353 4.17,1354 3.322,1355 52.286,1356 160,1357 152,1358 0.159,1359 243.812,1360 422.09,1361 586.661,1362 32204,1364 22.717,1365 0.71,1366 0.619,1367 22.717,1368 19.818,1369 15.42,1370 0.441,1371 0.335,1372 11.529,1373 14.813,1374 11.117,1375 9.3,1376 15.42,1377 11.709,1378 14.007,1379 0.28,1380 0.195,1381 14.007,1382 9.733,1383 12.007,1384 0.182,1385 0.112,1386 12.007,1387 7.399,1388 9.706,1389 0.114,1390 0.063,1391 9.706,1392 5.323,1393 7.979,1394 0.074,1395 0.038,1396 7.979,1397 4.089,1398 0.258,1399 96.73,1400 0.208,1401 30.455,1402 0.414,1403 170,1404 415.185,1405 182.718,1406 396.863,1407 546.44,1408 374,1409 201,1410 400.868,1411 216.133,1412 411.862,1413 597.84,1414 383,1415 6.921}
{0 CHEMBL433041,1 1.383,2 12.5,3 5.048,4 25.479,5 106.073,6 6.094,7 0.214,8 4.135,9 4.279,10 3.53,11 3.605,12 5.04,13 3.551,14 4.755,15 4.978,16 3.909,17 4.042,18 5.617,19 3.956,20 5.031,21 5.273,22 3.985,23 4.241,24 5.804,25 4.118,26 5.178,27 5.457,28 3.904,29 4.266,30 5.954,31 4.113,32 5.099,33 5.369,34 3.722,35 4.147,36 5.924,37 3.966,38 5.021,39 5.338,40 3.53,41 3.908,42 5.765,43 3.726,44 4.648,45 4.906,46 3.479,47 3.657,48 5.58,49 3.545,50 4.555,51 4.796,52 3.39,53 3.567,54 5.594,55 3.478,56 0.062,57 0.84,58 14.892,59 5.613,60 9.028,61 8.322,62 0.451,63 1.367,64 27.654,65 9.32,66 34.51,67 14.194,68 0.264,69 1.693,70 35.503,71 12.443,72 27.259,73 18.848,74 0.419,75 1.794,76 40.917,77 13.225,78 42.961,79 20.492,80 0.38,81 1.58,82 37.641,83 12.877,84 45.72,85 19.311,86 0.467,87 1.275,88 34.498,89 10.73,90 43.931,91 16.338,92 0.366,93 0.975,94 24.674,95 7.397,96 34.536,97 11.144,98 0.448,99 0.897,100 23.061,101 6.127,102 44.734,103 9.417,104 35,105 40,106 0.23,107 0.493,108 0.719,109 0.851,110 0.878,111 0.878,112 3.304,113 1.072,114 -4.51,115 -4.44,116 -4.18,121 35.6,122 2,123 6,125 1,126 2,127 2,130 1,144 3,145 1,146 2,161 1,176 10,179 2,180 7,183 2,185 1,187 10,192 8,197 1,200 8,206 7,211 3,214 5,218 1,219 7,224 3,227 3,231 1,232 3,237 2,239 2,243 1,244 4,247 1,249 3,251 4,255 1,256 2,259 1,264 5,269 3,277 7,281 1064,282 17.369,283 17.369,284 17.369,285 17.369,286 17.369,287 16.553,288 23.216,289 10.407,290 17.739,291 13.765,292 13.765,293 13.765,294 13.765,295 13.765,296 12.398,297 31.489,298 4.913,299 14.346,300 4.499,301 2.914,302 1.552,303 0.755,304 0.594,305 0.594,306 3.981,311 1,312 1,313 692,314 4.123,317 107.319,318 60.904,320 86.565,321 92.612,324 129.105,325 2,326 18.504,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 55.5,338 325,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 3.983,349 3.663,350 6.211,351 3.64,352 2.69,353 3.318,354 0.966,355 8.828,356 2.559,357 3.683,358 2.821,359 6.169,360 3.402,361 2.461,362 2.886,363 0.693,364 8.458,365 2.297,366 3.476,367 2.742,368 5.451,369 3.307,370 2.373,371 2.604,372 0.366,373 7.187,374 2.203,375 3.307,376 2.506,377 4.864,378 2.999,379 2.041,380 2.424,382 5.477,383 1.944,384 2.844,385 1.901,386 4.696,387 2.814,388 1.817,389 1.843,391 4.381,392 1.806,393 2.617,394 1.746,395 4.214,396 2.439,397 1.492,398 1.631,400 3.617,401 1.411,402 2.52,403 1.574,404 3.828,405 2.363,406 1.374,407 1.526,409 3.06,410 1.351,411 2.426,412 1.171,413 3.723,414 2.128,415 1.133,416 1.415,418 2.663,419 1.126,420 1.848,421 1.036,422 3.393,423 1.783,424 0.809,425 0.826,427 1.831,428 0.784,429 1.78,430 0.922,431 3.088,432 1.688,433 0.719,434 0.751,436 1.432,437 0.695,438 1.241,439 0.695,440 2.956,441 1.116,442 0.157,443 0.162,445 0.294,446 0.149,447 1.162,448 0.318,449 2.647,450 0.854,451 -0.109,452 -0.128,454 -0.252,455 -0.104,456 0.762,457 -0.015,458 2.495,459 0.64,460 -0.301,461 -0.311,463 -0.743,464 -0.282,465 0.672,466 -0.141,467 2.427,468 0.409,469 -0.58,470 -0.612,472 -1.059,473 -0.564,474 12.367,475 0.476,476 0.703,477 0.027,478 25.25,479 0.971,480 8.5,481 0.327,482 16.75,483 0.644,484 28.632,485 1.101,486 30.833,487 0.523,488 17.336,489 0.667,490 4.252,491 0.164,492 8.217,493 0.316,494 0.189,495 0.04,496 0.267,501 0.827,502 1.63,503 0.993,504 1.371,505 0.633,506 1.221,507 0.733,508 1.003,509 0.933,510 0.948,511 0.399,512 0.947,513 0.914,514 1.265,515 0.993,516 1.155,517 0.671,518 1.093,519 1.118,520 0.966,521 1.05,522 0.969,523 0.859,524 0.986,525 1.048,526 1.193,527 1.115,528 1.236,529 1.247,530 1.196,531 1.312,532 0.753,533 0.826,534 0.75,535 1.249,536 0.744,537 1.696,538 1.05,539 1.028,540 0.998,541 1.824,542 0.958,543 2.466,544 0.852,545 1.305,546 0.836,547 3.294,548 0.929,549 5.5,550 0.11,551 3.556,552 3.271,553 1.326,554 0.701,555 0.512,556 0.344,557 0.25,558 0.135,559 8125,560 14572,561 2.005,562 55.9,563 14,564 13,565 1,567 1,569 4,572 1.685,573 1.846,574 3.502,575 -0.37,582 81.617,583 1.383,584 2.969,585 4.331,586 5.128,587 5.289,588 5.289,589 3.061,590 4.547,591 4.66,592 3.72,593 1209.06,594 8.051,595 15482.6,597 1,600 347.076,601 1.648,602 4.606,603 0.196,604 0.007,605 0.089,606 0.078,607 0.036,608 0.025,609 0.021,610 0.015,611 0.012,612 0.008,613 0.487,614 0.33,615 1,616 2.265,617 129.219,618 0.02,619 -0.259,620 0.07,621 -0.106,622 -0.014,623 -0.027,624 0.279,625 0.199,626 0.114,627 0.128,628 0.248,629 0.108,630 -0.021,631 -0.164,632 0.009,633 -0.079,634 0.021,635 -0.04,636 -0.106,637 0.06,638 -0.05,639 0.007,640 0.01,641 -0.007,642 0.003,643 -0.211,644 -0.127,645 -0.227,646 -0.069,647 -0.198,648 0.014,649 0.074,650 0.162,651 0.14,652 -0.045,653 0.163,654 0.02,655 -0.092,656 0.042,657 -0.047,658 -0.025,659 -0.011,660 -0.229,661 0.156,662 -0.155,663 0.068,664 -0.278,665 -0.025,666 2.017,667 5.073,668 0.462,669 27.982,670 0.987,671 1.138,672 3.282,673 10.771,674 0.616,675 3.367,676 3.714,677 4.025,678 4.357,679 4.543,680 4.644,681 4.828,682 4.89,683 4.852,684 4.836,685 7.014,686 0.566,687 359.57,688 3.367,689 4.92,690 5.79,691 6.706,692 7.612,693 8.549,694 9.477,695 10.426,696 11.368,697 12.324,698 5.1,701 1,704 1,705 1,715 3,720 3,722 6,736 1,737 1,741 59,743 7,744 1,745 28,747 61,748 21,749 6,750 3,751 3,756 3,757 6,763 2,764 1,766 1,767 1,770 6,772 7,773 14,777 1,782 1,786 1,793 33,794 5,795 1,796 5,802 3,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 4,868 26,876 8,877 1,878 1,880 1,881 2,882 1,893 3.4,896 1,898 1,901 14.083,902 11.567,903 5.819,904 4.024,907 1.283,908 1.175,909 0.923,910 6.135,911 8.629,912 3.497,913 3.98,914 4.457,915 4.986,916 5.452,917 5.708,918 6.072,919 6.313,920 6.364,921 6.372,922 1,923 42,924 9.695,926 4.031,927 0.026,929 7.51,931 19.3,933 16.175,936 2.01,937 52.25,940 1,941 376.675,942 100.239,943 24.259,945 36.145,948 100.239,949 412.82,950 24.259,951 34.443,952 37.429,953 28.429,954 25.145,955 28.434,956 18.534,957 364.904,959 376.675,960 124.498,961 36.145,964 329.591,965 83.229,968 58.204,969 66.294,972 376.675,973 60.404,974 100.239,977 376.675,978 37.367,979 69.121,980 18.011,981 36.145,982 376.675,983 60.404,984 100.239,986 0.577,987 0.34,988 0.188,989 0.097,990 19,991 9,992 0.131,993 8,994 2,995 1.333,996 3.788,997 213.232,998 0.333,999 12,1000 122.211,1005 19.5,1006 8.18,1007 3.893,1009 60.404,1010 6.048,1015 3.17,1017 18.011,1018 537.318,1019 32,1024 12.073,1028 -0.35,1031 58.214,1032 67.142,1034 0.235,1035 0.505,1036 0.736,1037 0.872,1038 0.899,1039 0.899,1040 4.783,1041 1.374,1042 5.82,1043 3.617,1044 4.394,1045 4.663,1046 2.466,1047 6.753,1048 4.314,1049 5.964,1050 1.133,1051 7.46,1052 3.06,1053 4.205,1054 4.559,1055 1.905,1056 8.162,1057 4.094,1058 7.289,1059 0.809,1060 9.23,1061 2.663,1062 6.125,1063 6.705,1064 3.531,1065 11.346,1066 5.979,1067 8.658,1068 0.719,1069 11.085,1070 1.831,1071 6.825,1072 7.43,1073 3.612,1074 13.666,1075 6.668,1076 10.073,1077 0.157,1078 12.998,1079 1.432,1080 8.288,1081 9.134,1082 4.913,1083 16.5,1084 8.106,1085 11.52,1086 -0.109,1087 14.953,1088 0.294,1089 9.373,1090 10.226,1091 5.293,1092 19.111,1093 9.184,1094 12.994,1095 -0.301,1096 16.939,1097 -0.252,1098 10.71,1099 11.773,1100 6.388,1101 21.865,1102 10.502,1103 3.737,1104 -0.58,1105 18.948,1106 -0.743,1107 11.943,1108 13.037,1109 6.931,1110 24.56,1111 11.724,1112 2.69,1113 15.306,1114 20.974,1115 -1.059,1116 13.255,1117 14.521,1118 7.902,1119 27.294,1120 13.018,1121 2.461,1122 8.828,1123 23.014,1124 4.206,1125 14.541,1126 15.869,1127 8.539,1128 30.013,1129 14.289,1130 2.373,1131 8.458,1132 25.063,1133 3.318,1134 15.852,1135 17.326,1136 9.436,1137 32.743,1138 15.581,1139 2.041,1140 7.187,1141 27.119,1142 2.886,1143 17.157,1144 18.716,1145 10.13,1146 35.468,1147 16.868,1148 1.817,1149 5.477,1150 29.181,1151 2.604,1152 18.471,1153 20.162,1154 10.981,1155 38.197,1156 18.161,1157 1.492,1158 4.381,1159 31.247,1160 2.424,1161 19.783,1162 21.573,1163 11.71,1164 40.924,1165 19.454,1166 8102,1167 11031,1168 18.087,1169 36.347,1170 41.725,1171 42.709,1172 44.623,1173 41.642,1174 41.608,1175 47.183,1176 8.422,1177 125.071,1178 39.964,1179 5.797,1180 5.973,1181 7.969,1182 5.798,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 14.729,1189 1.49,1190 1.525,1191 1.594,1192 1.487,1193 1.486,1194 1.685,1195 0.301,1196 4.467,1197 1.427,1198 4.091,1199 4.13,1200 4.038,1201 3.995,1202 7.435,1203 4,1204 3.785,1205 3.851,1206 3.654,1207 3.647,1208 4.834,1209 3.63,1210 3.704,1211 3.747,1212 3.591,1213 3.564,1214 4.451,1215 3.567,1216 3.568,1217 3.642,1218 3.429,1219 3.383,1220 4.254,1221 3.375,1222 3.366,1223 3.429,1224 3.217,1225 3.113,1226 4.15,1227 3.137,1228 3.275,1229 3.369,1230 3.094,1231 3.05,1232 4.042,1233 3.045,1234 3.234,1235 3.329,1236 3.035,1237 3.022,1238 3.9,1239 3.014,1240 3.043,1241 3.11,1242 2.822,1243 2.797,1244 3.849,1245 2.802,1246 0.173,1247 0.142,1248 0.286,1249 0.168,1250 0.133,1251 4.832,1252 0.15,1253 3.973,1254 0.078,1255 8.006,1256 0.547,1257 4.714,1258 0.131,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.903,1265 1.884,1266 2.039,1267 1.998,1268 1.379,1269 2,1270 1.782,1271 1.718,1272 2.004,1273 1.948,1274 1.31,1275 1.979,1276 1.633,1277 1.578,1278 1.853,1279 1.836,1280 1.121,1281 1.837,1282 1.565,1283 1.491,1284 1.831,1285 1.794,1286 1.057,1287 1.812,1288 1.531,1289 1.45,1290 1.787,1291 1.746,1292 1.012,1293 1.77,1294 1.281,1295 1.218,1296 1.588,1297 1.57,1298 0.778,1299 1.572,1300 1.211,1301 1.114,1302 1.568,1303 1.474,1304 0.644,1305 1.511,1306 1.015,1307 0.934,1308 1.453,1309 1.295,1310 0.563,1311 1.354,1312 4.043,1314 5.38,1315 3.045,1316 6.919,1317 5.638,1318 8.57,1319 7.921,1320 10.297,1322 8.867,1328 8.804,1329 2.868,1330 5.541,1332 0.379,1333 4.758,1334 0.091,1340 33.396,1341 81.617,1342 175.175,1343 255.527,1344 302.547,1345 312.056,1346 312.056,1347 47.362,1348 7.345,1349 44.81,1350 44.81,1351 16,1352 12.813,1353 3,1354 2.322,1355 44.849,1356 107,1357 146,1358 0.206,1359 206.695,1360 363.9,1361 496.096,1362 14604,1364 18.734,1365 0.721,1366 0.641,1367 18.734,1368 16.677,1369 12.469,1370 0.445,1371 0.357,1372 9.877,1373 12.008,1374 9.505,1375 8.001,1376 12.469,1377 10.004,1378 11.253,1379 0.281,1380 0.201,1381 11.253,1382 8.042,1383 9.4,1384 0.171,1385 0.11,1386 9.4,1387 6.062,1388 8.195,1389 0.106,1390 0.061,1391 8.195,1392 4.681,1393 6.21,1394 0.067,1395 0.033,1396 6.21,1397 3.06,1398 0.33,1399 77.946,1400 0.235,1401 25.534,1402 0.542,1403 136,1404 323.094,1405 149.025,1406 308.983,1407 428.03,1408 290,1409 163,1410 322.529,1411 176.309,1412 326.625,1413 483.69,1414 305,1415 6.903}
{0 CHEMBL433282,1 1.587,2 6.789,3 2.703,4 7.305,5 68.476,6 9.739,7 0.571,8 3.417,9 3.475,10 3.2,11 3.08,12 4.807,13 3.096,14 3.876,15 3.936,16 3.591,17 3.482,18 5.418,19 3.497,20 4.144,21 4.246,22 3.742,23 3.608,24 5.706,25 3.627,26 4.18,27 4.29,28 3.632,29 3.497,30 5.708,31 3.523,32 4.034,33 4.152,34 3.419,35 3.242,36 5.601,37 3.276,38 3.769,39 3.899,40 3.1,41 2.8,42 5.618,43 2.849,44 3.29,45 3.446,46 2.644,47 2.205,48 5.268,49 2.293,50 2.699,51 2.85,52 2.081,53 1.596,54 4.415,55 1.757,56 0.152,57 0.316,58 2.169,59 2.021,60 20.768,61 1.886,62 0.255,63 0.483,64 3.708,65 3.443,66 60.835,67 3.156,68 0.381,69 0.658,70 7.282,71 4.696,72 79.196,73 4.629,74 0.469,75 0.67,76 8.754,77 4.964,78 99.218,79 4.367,80 0.478,81 0.579,82 8.374,83 4.297,84 97.977,85 3.739,86 0.523,87 0.445,88 7.529,89 3.287,90 113.151,91 3.042,92 0.364,93 0.284,94 5.59,95 2.011,96 81.244,97 2.05,98 0.156,99 0.162,100 2.93,101 0.948,102 26.829,103 0.671,104 18,105 31,106 0.302,107 0.505,108 0.629,109 0.773,110 0.852,111 0.881,112 3.013,113 0.795,114 -4.06,115 -4.01,116 -3.79,121 53.8,144 7,145 4,146 1,159 2,168 2,176 11,179 1,180 4,187 14,191 1,192 12,200 13,206 12,214 9,218 1,219 8,227 6,231 3,232 6,239 2,243 2,244 6,256 5,269 2,281 337,282 12.621,283 12.621,284 12.621,285 12.621,286 12.621,287 10.784,288 6.701,289 7.187,290 12.63,291 10.308,292 10.308,293 10.308,294 10.308,295 10.308,296 7.398,297 5.733,298 3.352,299 10.276,300 3.114,301 2.05,302 1.4,303 0.644,304 0.231,305 0.077,306 3.686,311 1,312 1,313 276,314 2.55,318 99.923,322 111.692,325 1.169,326 34.765,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 42.5,338 129,339 4.67,340 3.886,341 6.989,342 4.339,343 3.324,344 4.362,345 2.612,346 11.835,347 3.373,348 4.218,349 3.772,350 6.115,351 3.731,352 2.749,353 3.875,355 8.798,356 2.699,357 3.833,358 2.983,359 5.928,360 3.446,361 2.414,362 3.332,364 7.913,365 2.485,366 3.764,367 2.883,368 5.807,369 3.341,370 2.341,371 3.11,373 7.675,374 2.331,375 2.983,376 2.206,377 4.183,378 2.508,379 1.499,380 2.169,382 3.454,383 1.511,384 2.975,385 1.797,386 4.11,387 2.33,388 1.328,389 2.125,391 3.239,392 1.329,393 2.593,394 1.382,395 3.753,396 2.095,397 1.077,398 1.597,400 2.725,401 1.093,402 2.546,403 1.312,404 3.587,405 2,406 1,407 1.545,409 2.531,410 1,411 2.207,412 1.083,413 3.226,414 1.541,415 0.426,416 0.712,418 1.008,419 0.47,420 1.204,421 1,422 2.718,423 0.803,424 -0.205,425 -0.273,427 -0.523,428 -0.206,429 1,430 0.139,431 2.324,432 0.3,433 -0.731,434 -1.083,436 -1.786,437 -0.749,438 0.769,439 -0.332,440 2,441 0.185,442 -0.829,443 -1.201,445 -2,446 -0.837,447 0.663,448 -0.538,449 2,450 0.073,451 -0.925,452 -1.354,454 -2.253,455 -0.924,456 0.56,457 -0.809,458 1.895,460 -1,461 -1.951,463 -2.512,464 -1,465 0.191,466 -0.936,467 1.563,468 -0.243,469 -1.341,470 -2,472 -3.575,473 -1.455,474 8.733,475 0.46,476 0.58,477 0.031,478 29.75,479 1.566,480 18,481 0.947,482 11.75,483 0.618,484 9.649,485 0.508,486 18.867,487 0.726,488 21.281,489 1.12,490 6.016,491 0.317,492 3.076,493 0.162,494 0.153,496 0.447,501 0.328,502 0.712,503 0.509,504 0.71,505 0.495,506 0.708,507 0.474,508 0.942,509 0.64,510 0.944,511 0.491,512 0.898,513 0.624,514 0.97,515 0.728,516 0.995,517 0.571,518 0.934,519 1.124,520 1.067,521 1.104,522 1.106,523 1.104,524 1.101,525 1.27,526 1.116,527 1.231,528 1.145,529 1.321,530 1.171,531 1.145,532 1.123,533 1.233,534 1.126,535 1.212,536 1.196,537 1.057,538 1.086,539 0.986,540 0.954,541 0.972,542 0.932,543 2.038,544 1.081,545 1.302,546 0.878,547 1.757,548 0.748,549 3.5,551 2.889,552 1.813,553 1.622,554 0.792,555 0.443,556 0.165,557 0.054,558 0.031,559 2779,560 11081,561 2.05,562 26.9,564 7,572 1.61,573 1.869,574 2.782,575 -0.724,579 1,582 41.257,583 1.587,584 2.65,585 3.3,586 4.056,587 4.47,588 4.624,589 2.294,590 3.932,591 4.22,592 2.872,593 491.118,594 7.223,595 4579.48,596 1,597 1,599 1,600 122.211,601 1.529,602 4.153,603 0.167,605 0.093,606 0.052,607 0.054,608 0.034,609 0.03,610 0.018,611 0.011,612 0.016,613 0.474,614 0.67,615 1,616 0.92,617 79.452,618 0.203,619 0.255,620 0.042,621 0.149,622 -0.004,623 0.052,624 0.127,625 -0.048,626 -0.015,627 -0.051,628 0.111,629 -0.082,630 0.082,631 -0.034,632 0.106,633 -0.058,634 0.125,635 0.008,636 -0.195,637 -0.141,638 -0.145,639 -0.137,640 -0.163,641 -0.124,642 -0.202,643 -0.171,644 -0.177,645 -0.16,646 -0.243,647 -0.165,648 0.124,649 -0.141,650 -0.014,651 -0.11,652 0.065,653 -0.128,654 0.297,655 -0.033,656 0.399,657 0.09,658 0.374,659 0.227,660 -0.54,661 0.109,662 0.042,663 0.106,664 -0.296,665 0.291,666 2.585,667 4.982,668 0.737,669 11.274,670 1.041,671 1.099,672 2.827,673 7.992,674 0.735,675 3.091,676 3.466,677 3.807,678 4.094,679 4.407,680 4.522,681 4.625,682 4.663,683 4.71,684 4.466,685 4.173,686 0.749,687 253.22,688 3.091,689 4.654,690 5.541,691 6.45,692 7.361,693 8.277,694 9.194,695 10.114,696 11.033,697 11.954,698 3.8,709 1,715 7,720 5,722 12,727 2,735 1,741 26,743 16,744 2,745 21,747 28,748 14,749 12,750 5,751 7,752 2,756 3,757 6,772 14,777 4,779 1,782 4,786 2,790 1,793 7,794 4,796 5,802 1,808 0.333,809 4,829 3,833 2,859 1,868 19,893 15.4,896 2,899 2,901 10.167,902 4.95,903 4.111,904 1.519,907 2.844,908 1.416,909 1.006,910 2.375,911 9.687,912 3.466,913 4.111,914 4.745,915 5.327,916 5.943,917 6.31,918 6.752,919 7.048,920 7.397,921 7.543,922 0.8,923 35,924 7.056,926 3.245,927 0.026,929 8.43,931 12.591,933 10.554,936 2.93,937 55.667,941 82.398,942 92.1,943 5.67,945 101.037,948 92.1,949 183.434,950 5.67,951 5.67,953 66.334,954 60.557,955 15.499,957 82.398,958 50.747,959 82.398,960 97.77,961 101.037,964 82.398,965 50.29,966 50.747,969 92.1,970 5.67,972 82.398,973 106.707,974 92.1,977 82.398,978 25.766,979 72.004,981 101.037,982 82.398,983 106.707,984 92.1,986 0.597,987 0.368,988 0.197,989 0.115,990 17,991 8,992 0.036,993 1,994 2,995 1.286,996 2.978,997 150.237,998 0.286,999 14,1000 78.711,1005 11.454,1006 3.94,1007 1.604,1009 101.037,1010 10.749,1015 1.439,1018 281.204,1019 31,1021 -0.585,1024 45.383,1028 -1.319,1031 27.062,1032 28.582,1034 0.338,1035 0.564,1036 0.702,1037 0.863,1038 0.951,1039 0.984,1040 4.71,1041 1,1042 5.565,1043 2.725,1044 4.143,1045 4.796,1046 2.501,1047 6.457,1048 4.156,1049 5.96,1050 0.426,1051 7.183,1052 2.531,1053 3.892,1054 4.758,1055 2.361,1056 7.522,1057 3.916,1058 7.302,1059 -0.205,1060 8.904,1061 1.008,1062 5.814,1063 7.059,1064 4.154,1065 10.675,1066 5.839,1067 8.681,1068 -0.731,1069 10.683,1070 -0.523,1071 6.365,1072 7.813,1073 4.506,1074 12.533,1075 6.411,1076 10.091,1077 -0.829,1078 12.497,1079 -1.786,1080 7.802,1081 9.609,1082 5.948,1083 15.232,1084 7.848,1085 11.522,1086 -0.925,1087 14.335,1088 -2,1089 8.703,1090 10.717,1091 6.556,1092 17.422,1093 8.773,1094 12.972,1095 -1,1096 16.188,1097 -2.253,1098 9.966,1099 12.316,1100 7.794,1101 19.972,1102 10.042,1103 3.324,1104 -1.341,1105 18.055,1106 -2.512,1107 11.026,1108 13.594,1109 8.548,1110 22.314,1111 11.124,1112 2.749,1113 11.835,1114 19.931,1115 -3.575,1116 12.23,1117 15.11,1118 9.67,1119 24.812,1120 12.34,1121 2.414,1122 8.798,1123 21.815,1124 4.362,1125 13.362,1126 16.473,1127 10.509,1128 27.223,1129 13.492,1130 2.341,1131 7.913,1132 23.706,1133 3.875,1134 14.551,1135 17.954,1136 11.563,1137 29.703,1138 14.696,1139 1.499,1140 7.675,1141 25.604,1142 3.332,1143 15.716,1144 19.363,1145 12.452,1146 32.146,1147 15.88,1148 1.328,1149 3.454,1150 27.507,1151 3.11,1152 16.904,1153 20.83,1154 13.468,1155 34.62,1156 17.084,1157 1.077,1158 3.239,1159 29.415,1160 2.169,1161 18.085,1162 22.263,1163 14.386,1164 37.078,1165 18.283,1166 2792,1167 5665,1168 13.641,1169 19.108,1170 33.005,1171 35.846,1172 34.254,1173 32.402,1174 32.316,1175 45.652,1176 5.225,1177 98.354,1178 32.583,1179 5.553,1180 5.886,1181 6.668,1182 5.339,1183 5.324,1184 7.362,1185 4.612,1186 19.835,1187 5.373,1188 10.053,1189 1.572,1190 1.707,1191 1.631,1192 1.543,1193 1.539,1194 2.174,1195 0.249,1196 4.684,1197 1.552,1198 4.098,1199 4.11,1200 4.072,1201 4.033,1202 7.815,1203 4.037,1204 3.827,1205 3.851,1206 3.794,1207 3.695,1208 7.497,1209 3.702,1210 3.504,1211 3.513,1212 3.469,1213 3.251,1214 7.352,1215 3.297,1216 3.317,1217 3.318,1218 3.284,1219 3.01,1220 6.999,1221 3.08,1222 2.873,1223 2.914,1224 2.785,1225 2.748,1226 4.774,1227 2.745,1228 2.833,1229 2.879,1230 2.72,1231 2.644,1232 4.521,1233 2.677,1234 2.575,1235 2.613,1236 2.453,1237 2.393,1238 3.677,1239 2.406,1240 2.46,1241 2.474,1242 2.369,1243 2.195,1244 3.627,1245 2.24,1246 0.222,1247 0.185,1248 0.333,1249 0.207,1250 0.158,1251 4.67,1252 0.208,1253 3.886,1254 0.124,1255 6.989,1256 0.564,1257 4.339,1258 0.161,1259 3.324,1260 4.362,1261 2.612,1262 11.835,1263 3.373,1264 2.051,1265 2.04,1266 2.112,1267 2.141,1268 1.259,1269 2.124,1270 1.765,1271 1.739,1272 1.873,1273 1.943,1274 0.949,1275 1.902,1276 1.331,1277 1.328,1278 1.395,1279 1.632,1280 0.386,1281 1.557,1282 1.13,1283 1.11,1284 1.242,1285 1.437,1286 0.271,1287 1.382,1288 0.866,1289 0.82,1290 1.126,1291 1.037,1292 0.183,1293 1.067,1294 0.783,1295 0.747,1296 0.947,1297 0.997,1299 1.009,1300 0.523,1301 0.489,1302 0.746,1303 0.757,1305 0.759,1306 0.342,1307 0.314,1308 0.6,1309 0.638,1311 0.61,1312 3.761,1314 5.118,1316 6.698,1318 8.384,1320 10.127,1340 19.461,1341 41.257,1342 68.908,1343 85.805,1344 105.457,1345 116.211,1346 120.211,1347 42.699,1348 6.844,1349 79.96,1350 79.96,1351 18,1352 12.462,1353 4.087,1354 3.459,1355 27.579,1356 49,1357 44,1358 0.306,1359 119.316,1360 214.28,1361 282.89,1362 7103,1364 13.569,1365 0.714,1366 0.506,1367 13.569,1368 9.622,1369 9.092,1370 0.433,1371 0.265,1372 5.491,1373 8.717,1374 5.405,1375 4.444,1376 9.092,1377 5.562,1378 8.475,1379 0.273,1380 0.135,1381 8.475,1382 4.191,1383 7.543,1384 0.171,1385 0.071,1386 7.543,1387 3.127,1388 6.157,1389 0.104,1390 0.038,1391 6.157,1392 2.229,1393 5.315,1394 0.066,1395 0.02,1396 5.315,1397 1.605,1398 0.447,1399 57.607,1400 0.271,1401 18.243,1402 0.943,1403 104,1404 394.587,1405 114.384,1406 376.362,1407 493.47,1408 344,1409 127,1410 354.638,1411 137.581,1412 353.853,1413 518.38,1414 332,1415 6.071}
{0 CHEMBL433379,1 1.313,2 11.8,3 5.164,4 26.671,5 102.975,6 6.559,7 0.571,8 4.007,9 4.132,10 3.489,11 3.587,12 4.958,13 3.53,14 4.583,15 4.774,16 3.815,17 4.003,18 5.416,19 3.915,20 4.869,21 5.105,22 3.797,23 4.142,24 5.62,25 4,26 4.979,27 5.264,28 3.629,29 4.089,30 5.632,31 3.905,32 4.84,33 5.131,34 3.555,35 3.97,36 5.491,37 3.796,38 4.739,39 4.995,40 3.503,41 3.922,42 5.467,43 3.763,44 4.709,45 4.981,46 3.391,47 3.855,48 5.393,49 3.674,50 4.573,51 4.852,52 3.242,53 3.71,54 5.235,55 3.522,56 0.103,57 0.704,58 11.955,59 5.15,60 10.274,61 7.159,62 0.135,63 1.205,64 21.815,65 8.659,66 14.65,67 12.348,68 0.188,69 1.516,70 29.368,71 11.65,72 22.468,73 16.727,74 0.266,75 1.597,76 33.428,77 12.575,78 25.29,79 18.295,80 0.216,81 1.393,82 28.984,83 11.034,84 21.654,85 16.1,86 0.234,87 1.287,88 26.235,89 9.71,90 22.107,91 14.004,92 0.227,93 1.21,94 25.419,95 9.94,96 21.199,97 14.134,98 0.216,99 1.04,100 22.139,101 8.778,102 18.11,103 12.552,104 2,105 38,106 0.221,107 0.519,108 0.723,109 0.807,110 0.825,111 0.825,112 3.266,113 1.006,114 -5.14,115 -5.03,116 -4.71,121 43.1,122 1,123 4,124 1,127 3,144 8,145 3,148 1,154 1,168 1,176 15,180 7,187 17,192 9,200 11,206 8,214 6,219 7,227 12,232 2,239 13,243 1,244 1,251 13,255 1,256 1,264 9,269 3,277 4,281 897,282 17.309,283 17.309,284 17.309,285 17.309,286 17.309,287 15.376,288 16.29,289 10.407,290 17.451,291 13.864,292 13.864,293 13.864,294 13.864,295 13.864,296 11.047,297 16.17,298 5.016,299 14.09,300 4.359,301 2.585,302 1.368,303 0.868,304 0.76,305 0.76,306 3.97,311 1,312 1,313 655,314 2.55,317 58.119,318 240.143,321 108.082,325 2,326 10.194,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 52,338 295,339 4.547,340 3.166,341 6.544,342 4.08,343 3.088,344 4.502,345 0.916,346 10.345,347 3.062,348 3.941,349 3.017,350 5.617,351 3.688,352 2.725,353 3.457,354 0.172,355 7.789,356 2.633,357 3.659,358 2.577,359 5.346,360 3.474,361 2.476,362 3.066,364 6.978,365 2.472,366 3.587,367 2.468,368 5.148,369 3.249,370 2.259,371 2.693,373 6.204,374 2.237,375 3.333,376 2.24,377 4.957,378 3.043,379 2.082,380 2.601,382 5.856,383 1.995,384 3.149,385 2.024,386 4.937,387 2.874,388 1.887,389 2.23,391 5.658,392 1.857,393 2.824,394 1.517,395 4.132,396 2.417,397 1.422,398 1.928,400 3.445,401 1.415,402 2.716,403 1.31,404 3.594,405 2.255,406 1.265,407 1.809,409 3.041,410 1.251,411 2.5,412 1.077,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.229,421 1,422 3.335,423 1.984,424 1,425 1.138,427 2.136,428 0.983,429 2,430 0.944,431 3.247,432 1.873,433 0.882,434 1,436 2.032,437 0.873,438 1.735,439 0.577,440 3.125,441 1.517,442 0.525,443 0.627,445 1.263,446 0.52,447 1.238,448 0.283,449 2.788,450 1.051,451 0.076,452 0.085,454 0.19,455 0.074,456 0.99,457 -0.059,458 2.376,459 0.691,460 -0.306,461 -0.37,463 -0.728,464 -0.305,465 0.702,466 -0.375,467 2.298,468 0.449,469 -0.545,470 -0.631,472 -1.254,473 -0.541,474 12.133,475 0.485,476 0.482,477 0.019,478 29.5,479 1.18,480 14,481 0.56,482 15.5,483 0.62,484 22.49,485 0.9,486 26.867,487 0.527,488 17.508,489 0.7,490 5.497,491 0.22,492 6.779,493 0.271,494 0.041,496 0.28,501 0.651,502 1.199,503 0.89,504 1.089,505 0.663,506 1.024,507 1.002,508 1.128,509 0.988,510 1.048,511 0.725,512 1.014,513 0.925,514 1.165,515 1.084,516 1.148,517 0.841,518 1.128,519 1.093,520 0.998,521 1.02,522 0.982,523 1.002,524 0.992,525 0.907,526 0.915,527 0.901,528 0.893,529 0.856,530 0.893,531 1.434,532 0.997,533 1.178,534 1.025,535 1.501,536 1.069,537 1.14,538 0.935,539 1.064,540 1.013,541 1.251,542 1.034,543 0.923,544 0.963,545 0.979,546 0.981,547 1.002,548 0.994,549 4.5,550 0.091,551 2.222,552 1.042,553 1.067,554 0.441,555 0.331,556 0.267,557 0.133,558 0.103,559 8683,560 17386,561 2.179,562 51,563 6,564 14,568 2,569 4,572 1.672,573 2.113,574 3.522,575 -0.869,582 66.975,583 1.313,584 3.088,585 4.304,586 4.804,587 4.913,588 4.913,589 2.939,590 4.324,591 4.617,592 3.708,593 1112.42,594 7.938,595 14176.5,600 289.294,601 1.078,602 4.606,603 0.161,604 0.006,605 0.058,606 0.03,607 0.038,608 0.016,609 0.013,610 0.012,611 0.007,612 0.006,613 0.349,614 0.5,615 1,616 0.372,617 123.58,618 0.273,619 -0.042,620 0.087,621 -0.003,622 0.247,623 0.019,624 -0.031,625 -0.024,626 -0.004,627 -0.028,628 0.109,629 -0.013,630 -0.039,631 -0.143,632 -0.111,633 -0.151,634 0.027,635 -0.138,636 -0.062,637 -0.043,638 -0.035,639 -0.027,640 -0.046,641 -0.029,642 -0.002,643 0.038,644 0.077,645 0.065,646 0.024,647 0.077,648 -0.189,649 0.009,650 -0.178,651 -0.066,652 -0.318,653 -0.111,654 -0.037,655 0.013,656 -0.078,657 -0.041,658 -0.182,659 -0.061,660 0.084,661 -0.041,662 -0.003,663 -0.002,664 -0.061,665 -0.014,666 0.752,667 1.969,668 0.84,669 24.035,670 0.983,671 1.121,672 3.906,673 15.256,674 0.659,675 3.367,676 3.664,677 3.912,678 4.159,679 4.369,680 4.331,681 4.419,682 4.554,683 4.522,684 4.595,685 7.029,686 0.609,687 334.5,688 3.367,689 4.89,690 5.727,691 6.586,692 7.438,693 8.301,694 9.159,695 10.024,696 10.886,697 11.753,698 3.9,701 1,708 1,714 2,715 8,716 1,718 1,720 3,722 16,741 51,743 16,744 2,745 28,747 54,748 22,749 13,750 4,751 8,756 4,757 5,763 1,767 2,768 1,770 4,772 13,773 9,774 1,793 26,794 3,796 3,801 1,802 2,808 0.75,809 1,828 1,829 3,832 1,855 1,859 3,864 1,868 25,876 7,880 1,881 1,893 2,898 1,901 11.833,902 9.317,903 5.472,904 3.356,907 2.881,908 1.388,909 0.995,910 4.959,911 10.301,912 3.611,913 4.186,914 4.748,915 5.32,916 5.795,917 5.933,918 6.229,919 6.551,920 6.295,921 6.367,922 0.875,923 35,924 9.268,926 3.887,927 0.026,929 7.367,931 18.637,933 15.822,936 1.867,937 46.667,938 0.001,940 1,941 306.049,942 117.627,943 22.721,945 9.734,948 117.627,949 315.783,950 22.721,951 8.825,952 16.455,953 75.81,954 19.597,955 24.559,956 4.836,957 306.049,959 306.049,960 140.348,961 9.734,964 258.964,965 56.819,968 31.162,969 89.59,970 19.597,972 306.049,973 32.455,974 117.627,977 306.049,978 32.992,979 87.759,981 29.331,982 306.049,983 32.455,984 117.627,986 0.575,987 0.328,988 0.177,989 0.1,990 19,991 7,992 0.093,993 5,994 1,995 1.095,996 3.955,997 200.314,998 0.095,999 21,1000 108.096,1005 16.504,1006 7.511,1007 4,1008 2.111,1009 32.455,1010 17.114,1011 4.306,1013 5.469,1015 3.821,1018 456.131,1019 36,1031 50.134,1032 57.188,1034 0.232,1035 0.544,1036 0.759,1037 0.847,1038 0.866,1039 0.866,1040 4.828,1041 1.265,1042 5.68,1043 3.445,1044 4.344,1045 4.871,1046 0.918,1047 6.431,1048 4.313,1049 5.999,1050 1,1051 7.194,1052 3.041,1053 3.761,1054 4.543,1055 0.325,1056 7.182,1057 3.708,1058 7.279,1059 1,1060 8.803,1061 2.275,1062 5.878,1063 7.042,1064 0.671,1065 10.262,1066 5.816,1067 8.593,1068 0.882,1069 10.47,1070 2.136,1071 6.133,1072 7.633,1073 0.393,1074 11.895,1075 6.054,1076 9.944,1077 0.525,1078 12.178,1079 2.032,1080 7.677,1081 9.568,1082 0.533,1083 14.471,1084 7.589,1085 11.322,1086 0.076,1087 13.914,1088 1.263,1089 8.346,1090 10.624,1091 0.384,1092 16.5,1093 8.245,1094 12.722,1095 -0.306,1096 15.673,1097 0.19,1098 9.639,1099 12.314,1100 0.438,1101 18.909,1102 9.528,1103 3.088,1104 -0.545,1105 17.45,1106 -0.728,1107 10.524,1108 13.605,1109 0.351,1110 21.115,1111 10.403,1112 2.725,1113 10.345,1114 19.242,1115 -1.254,1116 11.704,1117 15.187,1118 0.366,1119 23.47,1120 11.575,1121 2.476,1122 7.789,1123 21.048,1124 4.502,1125 12.702,1126 16.592,1127 0.312,1128 25.751,1129 12.564,1130 2.259,1131 6.978,1132 22.864,1133 3.457,1134 13.836,1135 18.127,1136 0.309,1137 28.09,1138 13.69,1139 2.082,1140 6.204,1141 24.69,1142 3.066,1143 14.89,1144 19.585,1145 0.273,1146 30.402,1147 14.738,1148 1.887,1149 5.856,1150 26.525,1151 2.693,1152 16.008,1153 21.101,1154 0.262,1155 32.737,1156 15.848,1157 1.422,1158 5.658,1159 28.366,1160 2.601,1161 17.092,1162 22.584,1163 0.236,1164 35.063,1165 16.926,1166 8033,1167 11486,1168 19.474,1169 33.603,1170 41.582,1171 41.397,1172 41.794,1173 41.384,1174 41.375,1175 53.266,1176 2.178,1177 114.424,1178 40.742,1179 5.547,1180 5.166,1181 6.346,1182 5.115,1183 5.088,1184 7.502,1185 1.605,1186 17.011,1187 5.062,1188 6.616,1189 1.485,1190 1.478,1191 1.493,1192 1.478,1193 1.478,1194 1.902,1195 0.078,1196 4.087,1197 1.455,1198 4.103,1199 4.121,1200 4.067,1201 4,1202 5.258,1203 4.011,1204 3.948,1205 3.992,1206 3.863,1207 3.864,1208 4.756,1209 3.859,1210 3.817,1211 3.864,1212 3.7,1213 3.716,1214 4.472,1215 3.704,1216 3.516,1217 3.576,1218 3.405,1219 3.372,1220 4.32,1221 3.371,1222 3.331,1223 3.395,1224 3.197,1225 3.14,1226 3.966,1227 3.144,1228 3.121,1229 3.206,1230 2.956,1231 2.975,1232 3.786,1233 2.961,1234 3.111,1235 3.194,1236 2.866,1237 2.941,1238 3.674,1239 2.91,1240 2.939,1241 3.016,1242 2.769,1243 2.806,1244 3.66,1245 2.789,1246 0.162,1247 0.113,1248 0.234,1249 0.146,1250 0.11,1251 4.547,1252 0.161,1253 3.166,1254 0.033,1255 6.544,1256 0.369,1257 4.08,1258 0.109,1259 3.088,1260 4.502,1261 0.916,1262 10.345,1263 3.062,1264 1.96,1265 1.937,1266 2.108,1267 2.072,1268 1.487,1269 2.087,1270 1.927,1271 1.893,1272 2.046,1273 2.018,1274 1.221,1275 2.027,1276 1.832,1277 1.784,1278 2.004,1279 1.948,1280 1.148,1281 1.969,1282 1.509,1283 1.449,1284 1.742,1285 1.715,1286 0.995,1287 1.721,1288 1.23,1289 1.168,1290 1.524,1291 1.482,1292 0.825,1293 1.477,1294 1.206,1295 1.151,1296 1.513,1297 1.42,1298 0.705,1299 1.443,1300 1.153,1301 1.064,1302 1.459,1303 1.376,1304 0.6,1305 1.429,1306 0.988,1307 0.922,1308 1.249,1309 1.214,1310 0.434,1311 1.231,1312 4.043,1314 5.342,1315 2.398,1316 6.832,1317 4.727,1318 8.404,1319 6.823,1320 10.018,1322 2.124,1328 8.328,1332 0.809,1333 2.584,1340 31.079,1341 66.975,1342 157.48,1343 219.519,1344 245.029,1345 250.539,1346 250.539,1347 30.842,1348 7.42,1349 29.27,1350 29.27,1351 23,1352 12.3,1353 4.087,1354 3.17,1355 36.29,1356 107,1357 96,1358 0.164,1359 189.321,1360 319.33,1361 453.704,1362 18469,1364 17.062,1365 0.682,1366 0.598,1367 17.062,1368 14.949,1369 12.276,1370 0.438,1371 0.335,1372 9.318,1373 11.984,1374 9.057,1375 7.525,1376 12.276,1377 9.39,1378 10.883,1379 0.286,1380 0.194,1381 10.883,1382 7.373,1383 9.127,1384 0.186,1385 0.111,1386 9.127,1387 5.446,1388 7.524,1389 0.119,1390 0.062,1391 7.524,1392 3.898,1393 6.265,1394 0.08,1395 0.038,1396 6.265,1397 2.933,1398 0.266,1399 75.631,1400 0.227,1401 24.913,1402 0.426,1403 132,1404 295.026,1405 139.345,1406 291.776,1407 411.71,1408 276,1409 153,1410 317.136,1411 161.815,1412 322.032,1413 464.86,1414 303,1415 8.109}
{0 CHEMBL433678,1 1.483,2 13.833,3 2.644,4 6.99,5 115.857,6 7.115,7 0.364,8 4.125,9 4.247,10 3.654,11 3.676,12 5.175,13 3.644,14 4.701,15 4.884,16 4.02,17 4.093,18 5.727,19 4.034,20 5.003,21 5.22,22 4.067,23 4.25,24 5.999,25 4.157,26 5.1,27 5.355,28 3.976,29 4.211,30 6.13,31 4.087,32 5.004,33 5.261,34 3.881,35 4.12,36 5.974,37 4.002,38 4.918,39 5.158,40 3.85,41 4.099,42 5.883,43 3.98,44 4.898,45 5.13,46 3.805,47 4.023,48 6.023,49 3.907,50 4.763,51 5.003,52 3.591,53 3.853,54 5.892,55 3.727,56 0.016,57 0.822,58 12.11,59 5.345,60 6.328,61 7.204,62 0.274,63 1.376,64 23.469,65 8.97,66 23.645,67 12.644,68 0.262,69 1.711,70 33.32,71 12.274,72 45.741,73 17.152,74 0.438,75 1.764,76 38.476,77 13.513,78 91.2,79 19.318,80 0.466,81 1.602,82 35.254,83 12.08,84 73.794,85 17.132,86 0.352,87 1.497,88 31.469,89 11.606,90 51.387,91 16.222,92 0.451,93 1.405,94 31.301,95 11.263,96 90.967,97 15.496,98 0.566,99 1.228,100 27.878,101 9.218,102 94.935,103 12.899,104 19,105 46,106 0.243,107 0.549,108 0.721,109 0.808,110 0.838,111 0.844,112 3.44,113 0.959,114 -4.25,115 -4.19,116 -3.96,121 42.1,122 1,123 3,124 1,127 4,144 8,145 3,146 1,160 3,176 13,179 2,180 9,183 1,185 3,187 13,192 10,197 2,200 5,205 1,206 13,211 1,214 6,219 6,222 2,227 11,231 1,232 5,235 1,239 15,243 2,244 2,249 1,251 11,255 3,256 4,261 1,264 5,269 5,274 2,277 2,281 1538,282 20.223,283 20.223,284 20.223,285 20.223,286 20.223,287 18.406,288 25.241,289 11.979,290 20.415,291 16.295,292 16.295,293 16.295,294 16.295,295 16.295,296 13.455,297 30.643,298 5.74,299 16.568,300 4.35,301 2.479,302 1.426,303 0.895,304 0.715,305 0.68,306 4.136,311 1,312 1,313 899,314 3.391,317 71.731,318 302.665,321 135.911,325 2.167,326 33.637,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 64.5,338 415,339 4.604,340 3.954,341 6.971,342 4.303,343 3.314,344 4.191,345 1.907,346 11.723,347 3.275,348 3.941,349 3.532,350 5.758,351 3.69,352 2.727,353 3.457,354 1.349,355 7.818,356 2.635,357 3.881,358 3.256,359 5.615,360 3.548,361 2.576,362 3.238,363 0.916,364 7.735,365 2.503,366 3.609,367 3.018,368 5.515,369 3.463,370 2.466,371 2.686,372 0.8,373 6.981,374 2.453,375 3.464,376 2.641,377 5.335,378 3.137,379 2.161,380 2.64,381 0.172,382 6.695,383 2.108,384 3.438,385 2.56,386 5.291,387 3.064,388 2.04,389 2.609,390 0.149,391 6.302,392 2.089,393 3.197,394 2.261,395 4.952,396 3.008,397 2.024,398 2.3,400 5.85,401 1.96,402 3.09,403 2.077,404 4.403,405 2.752,406 1.753,407 2.195,409 4.469,410 1.737,411 2.822,412 1.798,413 3.709,414 2.416,415 1.421,416 1.919,418 3.045,419 1.413,420 2.519,421 1.514,422 3.602,423 2.007,424 1,425 1.5,427 2.435,428 1.001,429 2.5,430 1.272,431 3.514,432 2,433 1,434 1.454,436 2.275,437 1,438 2.141,439 1.077,440 3.414,441 1.984,442 0.987,443 1,445 2.136,446 0.983,447 2,448 1,449 3.247,450 1.875,451 0.864,452 0.995,454 2.103,455 0.868,456 1.437,457 0.684,458 2.935,459 1.21,460 0.209,461 0.239,463 0.523,464 0.207,465 1.317,466 0.65,467 2.733,468 0.95,469 -0.038,470 -0.046,472 -0.099,473 -0.038,474 14.2,475 0.473,476 0.75,477 0.025,478 36.25,479 1.208,480 17,481 0.567,482 19.25,483 0.642,484 26.946,485 0.898,486 32.6,487 0.572,488 27.336,489 0.911,490 6.993,491 0.233,492 7.515,493 0.25,494 0.106,496 0.338,501 0.631,502 1.362,503 0.808,504 1.122,505 0.496,506 1.007,507 0.617,508 1.12,509 0.895,510 1.014,511 0.478,512 0.988,513 0.968,514 1.114,515 1.03,516 1.096,517 0.851,518 1.068,519 0.882,520 1.047,521 0.945,522 1.022,523 0.806,524 0.997,525 1.055,526 0.874,527 0.977,528 0.893,529 1.061,530 0.918,531 0.898,532 0.936,533 1.002,534 1.026,535 0.938,536 1.028,537 1.093,538 1.059,539 1.047,540 1.092,541 1.258,542 1.078,543 1.244,544 0.923,545 1.167,546 0.958,547 1.332,548 1.041,549 6,550 0.153,551 2.889,552 2.611,553 1.387,554 0.921,555 0.788,556 0.486,557 0.199,558 0.151,559 13392,560 33389,561 2.087,562 47.4,563 1,564 16,567 1,568 3,569 6,572 1.723,573 1.957,574 3.707,575 -0.382,576 1,577 1,582 84.544,583 1.483,584 3.354,585 4.407,586 4.938,587 5.118,588 5.153,589 3.236,590 4.44,591 4.874,592 3.908,593 1699.86,594 8.473,595 24690.1,597 1,599 1,600 332.475,601 1.4,602 4.839,603 0.182,604 0.007,605 0.063,606 0.057,607 0.035,608 0.025,609 0.022,610 0.015,611 0.008,612 0.007,613 0.419,614 0.17,615 1,616 0.878,617 157.404,618 -0.014,619 -0.158,620 0.053,621 -0.035,622 -0.007,623 0.008,624 0.128,625 0.024,626 0.022,628 0.078,629 -0.005,630 -0.079,631 -0.078,632 -0.074,633 -0.1,634 -0.017,635 -0.084,636 0.052,637 -0.096,638 0.043,639 -0.049,640 0.117,641 -0.01,642 -0.034,643 0.088,644 0.024,645 0.068,646 -0.056,647 0.056,648 0.007,649 0.042,650 -0.03,651 -0.035,652 -0.042,653 -0.036,654 0.06,655 -0.123,656 -0.047,657 -0.103,658 0.023,659 -0.096,660 0.021,661 0.036,662 -0.144,663 -0.007,664 -0.009,665 -0.089,666 1.927,667 5.757,668 0.7,669 35.853,670 0.998,671 1.125,672 3.021,673 9.128,674 0.658,675 3.526,676 3.85,677 4.111,678 4.382,679 4.595,680 4.635,681 4.787,682 4.913,683 4.92,684 4.927,685 7.918,686 0.623,687 405.54,688 3.526,689 5.069,690 5.916,691 6.795,692 7.662,693 8.548,694 9.426,695 10.318,696 11.204,697 12.1,698 5.3,701 1,705 2,715 8,720 4,722 12,741 57,743 15,744 2,745 33,747 60,748 24,749 12,750 4,751 8,752 2,756 4,757 5,763 1,767 2,768 1,770 3,772 15,773 9,774 1,777 3,782 3,786 3,790 1,793 27,794 6,795 1,796 6,802 3,805 1,808 0.75,809 3,828 1,829 3,832 1,843 1,855 1,859 3,864 1,868 30,876 7,877 1,880 1,881 2,893 5.3,896 3,901 15.333,902 10.4,903 6.556,904 3.618,907 2.211,908 1.282,909 0.98,910 6.193,911 10.045,912 3.761,913 4.277,914 4.762,915 5.278,916 5.746,917 5.85,918 6.161,919 6.361,920 6.373,921 6.264,922 1,923 46,924 11.205,926 4.859,927 0.026,929 7.8,931 21.548,933 18.151,936 2.3,937 69,940 1,941 306.049,942 127.089,943 24.259,945 75.435,948 127.089,949 381.483,950 24.259,951 8.825,952 37.161,953 75.81,954 89.549,955 15.438,957 306.049,959 306.049,960 151.348,961 75.435,964 235.422,965 146.061,968 49.111,969 102.237,972 306.049,973 99.694,974 127.089,977 306.049,978 42.454,979 90.884,980 18.011,981 75.435,982 306.049,983 99.694,984 127.089,986 0.581,987 0.331,988 0.181,989 0.099,990 22,991 10,992 0.1,993 6,994 1,995 1.095,996 4.259,997 260.05,998 0.095,999 21,1000 139.207,1005 20.616,1006 9.011,1007 4.758,1009 99.694,1010 15.388,1015 2.673,1017 18.011,1018 532.832,1019 42,1024 36.685,1028 -0.697,1031 56.891,1032 64.106,1034 0.254,1035 0.575,1036 0.756,1037 0.847,1038 0.877,1039 0.883,1040 5.011,1041 1.753,1042 5.9,1043 5.85,1044 4.533,1045 4.963,1046 2.592,1047 6.703,1048 4.502,1049 6.185,1050 1.421,1051 7.453,1052 4.469,1053 4.111,1054 4.691,1055 1.738,1056 7.585,1057 4.071,1058 7.473,1059 1,1060 9.106,1061 3.045,1062 6.116,1063 7.009,1064 3.251,1065 10.706,1066 6.047,1067 8.79,1068 1,1069 10.819,1070 2.435,1071 6.509,1072 7.54,1073 3.125,1074 12.476,1075 6.431,1076 10.142,1077 0.987,1078 12.574,1079 2.275,1080 7.995,1081 9.373,1082 4.21,1083 15.142,1084 7.893,1085 11.519,1086 0.864,1087 14.36,1088 2.136,1089 8.79,1090 10.309,1091 4.463,1092 17.32,1093 8.681,1094 12.918,1095 0.209,1096 16.17,1097 2.103,1098 10.072,1099 11.935,1100 5.334,1101 19.844,1102 9.943,1103 3.314,1104 -0.038,1105 18,1106 0.523,1107 11.07,1108 13.092,1109 5.78,1110 22.196,1111 10.935,1112 2.727,1113 11.723,1114 19.849,1115 -0.099,1116 12.276,1117 14.619,1118 6.541,1119 24.676,1120 12.127,1121 2.576,1122 7.818,1123 21.712,1124 4.191,1125 13.374,1126 15.898,1127 7.085,1128 27.096,1129 13.217,1130 2.466,1131 7.735,1132 23.589,1133 3.457,1134 14.559,1135 17.375,1136 7.79,1137 29.563,1138 14.39,1139 2.161,1140 6.981,1141 25.477,1142 3.238,1143 15.705,1144 18.722,1145 8.383,1146 32.009,1147 15.528,1148 2.04,1149 6.695,1150 27.374,1151 2.686,1152 16.887,1153 20.173,1154 9.06,1155 34.471,1156 16.7,1157 2.024,1158 6.302,1159 29.28,1160 2.64,1161 18.057,1162 21.558,1163 9.678,1164 36.927,1165 17.86,1166 12691,1167 20227,1168 22.076,1169 37.517,1170 49.736,1171 51.899,1172 50.458,1173 49.09,1174 49.084,1175 60.846,1176 10.587,1177 140.179,1178 48.461,1179 5.604,1180 5.954,1181 6.772,1182 5.339,1183 5.314,1184 7.191,1185 3.306,1186 18.905,1187 5.275,1188 14.619,1189 1.507,1190 1.573,1191 1.529,1192 1.488,1193 1.487,1194 1.844,1195 0.321,1196 4.248,1197 1.469,1198 4.046,1199 4.073,1200 4.008,1201 3.946,1202 7.447,1203 3.956,1204 3.943,1205 3.984,1206 3.862,1207 3.862,1208 7.429,1209 3.857,1210 3.82,1211 3.867,1212 3.706,1213 3.718,1214 7.408,1215 3.707,1216 3.616,1217 3.664,1218 3.547,1219 3.388,1220 4.758,1221 3.418,1222 3.455,1223 3.517,1224 3.332,1225 3.258,1226 4.684,1227 3.266,1228 3.276,1229 3.331,1230 3.16,1231 3.093,1232 4.324,1233 3.102,1234 3.111,1235 3.206,1236 2.972,1237 2.941,1238 4.02,1239 2.91,1240 3.062,1241 3.132,1242 2.886,1243 2.915,1244 3.912,1245 2.9,1246 0.14,1247 0.12,1248 0.211,1249 0.13,1250 0.1,1251 4.604,1252 0.127,1253 3.954,1254 0.058,1255 6.971,1256 0.355,1257 4.303,1258 0.099,1259 3.314,1260 4.191,1261 1.907,1262 11.723,1263 3.275,1264 1.934,1265 1.896,1266 2.1,1267 2.068,1268 1.482,1269 2.082,1270 1.897,1271 1.879,1272 2.013,1273 1.99,1274 1.165,1275 1.987,1276 1.84,1277 1.79,1278 1.978,1279 1.956,1280 1.106,1281 1.977,1282 1.521,1283 1.463,1284 1.737,1285 1.768,1286 1.011,1287 1.754,1288 1.45,1289 1.401,1290 1.701,1291 1.698,1292 0.825,1293 1.693,1294 1.244,1295 1.192,1296 1.513,1297 1.478,1298 0.717,1299 1.471,1300 1.153,1301 1.064,1302 1.465,1303 1.376,1304 0.691,1305 1.429,1306 1.053,1307 0.995,1308 1.281,1309 1.267,1310 0.439,1311 1.287,1312 4.205,1314 5.525,1315 2.398,1316 7.034,1317 4.949,1318 8.628,1319 7.195,1320 10.269,1322 1.414,1328 6.52,1329 2.664,1332 0.524,1333 3.829,1340 35.53,1341 84.544,1342 191.151,1343 251.191,1344 281.455,1345 291.72,1346 293.72,1347 64.722,1348 7.833,1349 71.41,1350 71.41,1351 23,1352 12.627,1353 4,1354 3.322,1355 47.414,1356 143,1357 142,1358 0.161,1359 217.438,1360 388.13,1361 522.309,1362 29991,1364 21.087,1365 0.703,1366 0.576,1367 21.087,1368 17.265,1369 14.508,1370 0.44,1371 0.32,1372 10.436,1373 14.037,1374 10.181,1375 8.416,1376 14.508,1377 10.552,1378 13.222,1379 0.287,1380 0.178,1381 13.222,1382 8.197,1383 10.836,1384 0.181,1385 0.1,1386 10.836,1387 6.008,1388 9.176,1389 0.116,1390 0.055,1391 9.176,1392 4.361,1393 7.328,1394 0.075,1395 0.032,1396 7.328,1397 3.174,1398 0.26,1399 90.338,1400 0.213,1401 28.968,1402 0.418,1403 158,1404 440.83,1405 171.526,1406 425.311,1407 571.88,1408 396,1409 185,1410 409.796,1411 198.474,1412 415.836,1413 608.14,1414 391,1415 8.553}
{0 CHEMBL434378,1 1.526,2 16.395,3 4.671,4 21.82,5 146.223,6 7.036,7 0.415,8 4.386,9 4.507,10 3.894,11 3.872,12 5.458,13 3.853,14 4.943,15 5.124,16 4.21,17 4.252,18 5.952,19 4.205,20 5.179,21 5.389,22 4.359,23 4.402,24 6.204,25 4.342,26 5.24,27 5.452,28 4.345,29 4.405,30 6.278,31 4.345,32 5.298,33 5.517,34 4.283,35 4.415,36 6.339,37 4.333,38 5.286,39 5.519,40 4.152,41 4.397,42 6.286,43 4.279,44 5.294,45 5.559,46 4.003,47 4.303,48 6.286,49 4.165,50 5.133,51 5.393,52 3.802,53 4.168,54 6.047,55 4.02,56 0.067,57 1.047,58 16.443,59 7.011,60 10.925,61 9.283,62 0.402,63 1.631,64 31.273,65 11.333,66 37.854,67 15.635,68 0.596,69 2.002,70 40.498,71 13.793,72 60.613,73 19.848,74 0.597,75 2.104,76 43.505,77 13.65,78 67.478,79 19.784,80 1.006,81 2.127,82 47.302,83 14.39,84 90.868,85 20.672,86 0.692,87 2.081,88 46.214,89 15.226,90 78.952,91 21.974,92 0.828,93 1.942,94 48.368,95 15.215,96 110.196,97 22.034,98 0.644,99 1.657,100 40.91,101 13.391,102 83.398,103 19.089,104 35,105 55,106 0.236,107 0.546,108 0.717,109 0.814,110 0.844,111 0.861,112 3.667,113 0.958,114 -3.61,115 -3.58,116 -3.41,121 39.2,123 8,126 3,127 1,144 6,145 3,146 4,148 2,160 2,173 1,176 13,180 8,183 2,185 5,187 12,191 2,192 11,195 1,197 9,200 7,205 1,206 7,209 1,211 9,214 7,218 2,219 4,222 3,224 9,227 13,231 1,232 3,235 1,237 3,239 13,243 1,244 8,247 1,248 1,251 13,256 6,260 1,264 12,268 1,269 5,272 1,274 1,277 8,281 2808,282 26.214,283 26.214,284 26.214,285 26.214,286 26.214,287 23.956,288 27.59,289 15.718,290 26.857,291 20.061,292 20.061,293 20.061,294 20.061,295 20.061,296 16.218,297 23.233,298 7.191,299 20.76,300 4.684,301 2.686,302 1.582,303 0.957,304 0.764,305 0.652,306 4.364,312 1,313 1339,314 4.637,318 455.625,322 355.195,325 2.385,326 39.876,329 0.75,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.71,337 83,338 623,339 4.641,340 3.582,341 6.83,342 4.208,343 3.227,344 4.564,345 1.886,346 11.349,347 3.165,348 4.454,349 3.572,350 6.547,351 4.051,352 3.093,353 4.141,354 1.058,355 10.344,356 2.971,357 3.921,358 3.35,359 5.982,360 3.589,361 2.606,362 3.438,363 0.86,364 8.37,365 2.534,366 3.915,367 3.314,368 5.955,369 3.524,370 2.532,371 3.272,372 0.86,373 8.294,374 2.512,375 3.672,376 2.666,377 5.389,378 3.399,379 2.391,380 2.924,381 0.86,382 6.754,383 2.4,384 3.488,385 2.555,386 5.19,387 3.089,388 2.121,389 2.783,391 6.118,392 2.046,393 3.355,394 2.314,395 5.021,396 2.972,397 2.061,398 2.604,400 6.023,401 1.867,402 2.939,403 2.097,404 4.341,405 2.758,406 1.777,407 2.141,409 4.148,410 1.742,411 2.936,412 1.866,413 4.116,414 2.514,415 1.526,416 2.002,418 3.391,419 1.507,420 2.69,421 1.772,422 3.903,423 2.435,424 1.459,425 1.682,427 3.329,428 1.415,429 2.599,430 1.623,431 3.784,432 2.345,433 1.347,434 1.628,436 3.265,437 1.343,438 2.488,439 1.449,440 3.627,441 2.242,442 1.247,443 1.487,445 2.902,446 1.24,447 2.199,448 1.426,449 3.594,450 2.091,451 1.152,452 1.187,454 2.575,455 1.081,456 2.14,457 1.35,458 3.548,459 1.947,460 1.032,461 1.109,463 2.257,464 0.933,465 2.05,466 1.242,467 3.187,468 1.824,469 0.85,470 0.959,472 1.816,473 0.817,474 17.767,475 0.468,476 0.708,477 0.019,478 45,479 1.184,480 21,481 0.553,482 24,483 0.632,484 38.052,485 1.001,486 42.833,487 0.579,488 36.953,489 0.972,490 8.772,491 0.231,492 9.777,493 0.257,494 0.122,496 0.31,501 0.79,502 1.296,503 0.841,504 1.199,505 0.578,506 1.049,507 1.022,508 1.108,509 0.914,510 0.991,511 0.659,512 0.944,513 0.816,514 1.158,515 0.85,516 1.012,517 0.886,518 0.944,519 1.122,520 1.199,521 1.048,522 1.086,523 1.209,524 1.045,525 1.243,526 0.998,527 1.165,528 0.973,529 1.1,530 1.036,531 1.022,532 1.117,533 1.16,534 1.146,535 1.155,536 1.168,537 1.126,538 0.854,539 1.072,540 0.93,541 1.661,542 0.984,543 1.174,544 0.868,545 1.127,546 0.963,547 1.614,548 1.031,549 6,550 0.115,551 4.222,552 2.563,553 2.484,554 1.278,555 0.709,556 0.34,557 0.271,558 0.202,559 26919,560 68873,561 2.053,562 48.6,563 10,564 17,567 3,568 4,569 2,572 1.779,573 1.932,574 3.893,575 0.764,582 112.891,583 1.526,584 3.523,585 4.628,586 5.253,587 5.446,588 5.557,589 3.23,590 4.616,591 5.229,592 4.178,593 2937.45,594 9.154,595 54768.2,600 459.5,601 1.359,602 5.183,603 0.146,604 0.004,605 0.077,606 0.041,607 0.042,608 0.024,609 0.015,610 0.009,611 0.008,612 0.007,613 0.374,614 0.33,615 0.75,616 0.812,617 218.078,618 -0.009,619 -0.036,620 0.052,621 -0.046,622 0.004,623 0.006,624 -0.036,625 0.001,626 0.043,627 0.067,628 0.04,629 0.065,630 0.111,631 -0.09,632 0.115,633 0.007,634 0.049,635 0.054,636 -0.062,637 -0.114,638 -0.059,639 -0.107,640 -0.093,641 -0.083,642 -0.044,643 0.044,644 -0.151,645 -0.016,646 -0.037,647 -0.089,648 -0.054,649 -0.102,650 -0.181,651 -0.159,652 -0.051,653 -0.185,654 -0.072,655 0.073,656 -0.062,657 0.019,658 -0.108,659 -0.015,660 -0.144,661 0.054,662 -0.126,663 0.006,664 -0.186,665 -0.049,666 1.89,667 5.597,668 0.526,669 43.374,670 1.002,671 1.131,672 2.382,673 5.673,674 0.642,675 3.738,676 4.025,677 4.317,678 4.575,679 4.82,680 4.875,681 4.956,682 4.956,683 4.977,684 4.836,685 10.063,686 0.609,687 520.69,688 3.738,689 5.263,690 6.111,691 6.982,692 7.853,693 8.733,694 9.613,695 10.499,696 11.384,697 12.273,698 5.4,703 1,705 2,708 1,714 2,715 6,716 1,720 7,722 17,729 1,739 3,741 74,743 19,744 2,745 41,747 77,748 29,749 15,750 6,751 6,752 1,756 4,757 7,767 4,770 8,772 17,773 12,777 2,782 2,786 2,793 36,794 9,795 3,796 9,802 4,806 1,808 0.5,809 5,822 1,829 4,833 2,859 2,864 3,868 38,876 9,877 3,878 3,893 6.8,896 2,898 3,901 19.667,902 14.033,903 8.778,904 4.579,907 3.268,908 1.401,909 0.96,910 10.074,911 11.425,912 3.961,913 4.522,914 5.116,915 5.688,916 6.265,917 6.557,918 6.871,919 7.079,920 7.337,921 7.18,922 1,923 62,924 14.106,926 5.866,927 0.026,929 7.732,931 27.067,933 21.792,936 2.232,937 84.833,941 388.446,942 153.63,943 70.573,945 83.29,948 153.63,949 471.736,950 70.573,951 32.649,952 58.281,953 56.857,954 94.373,955 65.332,957 388.446,959 388.446,960 224.203,961 83.29,964 364.904,965 106.832,968 63.182,969 126.347,970 34.674,972 388.446,973 153.862,974 153.63,977 388.446,978 64.123,979 89.507,980 53.787,981 100.075,982 388.446,983 153.862,984 153.63,986 0.563,987 0.344,988 0.194,989 0.109,990 23,991 11,992 0.156,993 12,994 2,995 1.2,996 4.894,997 347.453,998 0.2,999 20,1000 191.421,1005 27.994,1006 13.675,1007 6.901,1008 1.967,1009 153.862,1010 11.275,1011 4.838,1015 5.021,1017 53.787,1018 695.939,1019 51.5,1024 25.123,1028 -0.281,1031 74.181,1032 83.683,1034 0.246,1035 0.567,1036 0.745,1037 0.846,1038 0.877,1039 0.895,1040 5.189,1041 1.777,1042 6.075,1043 6.023,1044 4.71,1045 5.209,1046 2.596,1047 6.884,1048 4.65,1049 6.372,1050 1.526,1051 7.631,1052 4.148,1053 4.205,1054 5.075,1055 1.593,1056 7.818,1057 4.136,1058 7.678,1059 1.459,1060 9.293,1061 3.391,1062 6.29,1063 7.423,1064 3.144,1065 10.942,1066 6.183,1067 9.026,1068 1.347,1069 11.021,1070 3.329,1071 6.661,1072 8.159,1073 2.98,1074 12.734,1075 6.533,1076 10.412,1077 1.247,1078 12.791,1079 3.265,1080 8.169,1081 9.987,1082 4.066,1083 15.375,1084 8.016,1085 11.823,1086 1.152,1087 14.59,1088 2.902,1089 8.955,1090 11.118,1091 4.33,1092 17.514,1093 8.773,1094 13.255,1095 1.032,1096 16.41,1097 2.575,1098 10.235,1099 12.748,1100 5.191,1101 19.997,1102 10.031,1103 3.227,1104 0.85,1105 18.245,1106 2.257,1107 11.217,1108 14.069,1109 5.648,1110 22.284,1111 10.983,1112 3.093,1113 11.349,1114 20.092,1115 1.816,1116 12.409,1117 15.619,1118 6.399,1119 24.714,1120 12.153,1121 2.606,1122 10.344,1123 21.948,1124 4.564,1125 13.482,1126 17.032,1127 6.944,1128 27.067,1129 13.197,1130 2.532,1131 8.37,1132 23.811,1133 4.141,1134 14.643,1135 18.549,1136 7.64,1137 29.481,1138 14.336,1139 2.391,1140 8.294,1141 25.681,1142 3.438,1143 15.759,1144 20.008,1145 8.228,1146 31.864,1147 15.424,1148 2.121,1149 6.754,1150 27.556,1151 3.272,1152 16.912,1153 21.514,1154 8.895,1155 34.274,1156 16.553,1157 2.061,1158 6.118,1159 29.436,1160 2.924,1161 18.048,1162 22.995,1163 9.506,1164 36.673,1165 17.664,1166 25639,1167 41171,1168 27.334,1169 47.478,1170 59.258,1171 62.489,1172 62.578,1173 59.255,1174 59.408,1175 74.744,1176 11.048,1177 166.46,1178 57.481,1179 5.607,1180 5.582,1181 6.656,1182 5.249,1183 5.227,1184 7.564,1185 3.272,1186 18.88,1187 5.165,1188 19.56,1189 1.445,1190 1.524,1191 1.526,1192 1.445,1193 1.449,1194 1.823,1195 0.269,1196 4.06,1197 1.402,1198 4.114,1199 4.144,1200 4.074,1201 4.039,1202 7.431,1203 4.043,1204 3.959,1205 3.969,1206 3.925,1207 3.856,1208 7.427,1209 3.87,1210 3.766,1211 3.821,1212 3.643,1213 3.651,1214 4.987,1215 3.637,1216 3.732,1217 3.781,1218 3.614,1219 3.618,1220 4.952,1221 3.609,1222 3.571,1223 3.631,1224 3.478,1225 3.334,1226 4.58,1227 3.357,1228 3.389,1229 3.446,1230 3.289,1231 3.176,1232 4.462,1233 3.187,1234 3.303,1235 3.355,1236 3.146,1237 3.095,1238 4.42,1239 3.114,1240 3.274,1241 3.33,1242 3.144,1243 3.006,1244 4.296,1245 3.026,1246 0.113,1247 0.087,1248 0.167,1249 0.103,1250 0.079,1251 4.641,1252 0.111,1253 3.582,1254 0.046,1255 6.83,1256 0.277,1257 4.208,1258 0.077,1259 3.227,1260 4.564,1261 1.886,1262 11.349,1263 3.165,1264 2.069,1265 2.044,1266 2.155,1267 2.161,1268 1.432,1269 2.16,1270 1.889,1271 1.881,1272 2.006,1273 2.02,1274 1.34,1275 2.005,1276 1.754,1277 1.709,1278 1.949,1279 1.93,1280 1.145,1281 1.944,1282 1.752,1283 1.695,1284 1.945,1285 1.872,1286 1.083,1287 1.902,1288 1.491,1289 1.431,1290 1.722,1291 1.758,1292 0.972,1293 1.742,1294 1.307,1295 1.253,1296 1.59,1297 1.583,1298 0.758,1299 1.567,1300 1.241,1301 1.196,1302 1.574,1303 1.558,1304 0.625,1305 1.565,1306 1.227,1307 1.163,1308 1.551,1309 1.509,1310 0.584,1311 1.527,1312 4.419,1314 5.714,1316 7.22,1318 8.834,1320 10.509,1322 4.542,1328 7.424,1329 8.994,1330 15.932,1340 45.088,1341 112.891,1342 260.714,1343 342.467,1344 388.706,1345 402.97,1346 411.235,1347 86.355,1348 8.157,1349 110.81,1350 110.81,1351 24,1352 12.804,1353 4.322,1354 3.524,1355 68.367,1356 241,1357 182,1358 0.135,1359 277.259,1360 489.67,1361 668.272,1362 52735,1364 26.907,1365 0.708,1366 0.587,1367 26.907,1368 22.317,1369 18.55,1370 0.452,1371 0.319,1372 12.868,1373 17.696,1374 12.533,1375 10.46,1376 18.55,1377 13.089,1378 15.608,1379 0.284,1380 0.169,1381 15.608,1382 9.29,1383 13.487,1384 0.182,1385 0.092,1386 13.487,1387 6.789,1388 11.168,1389 0.116,1390 0.05,1391 11.168,1392 4.814,1393 9.291,1394 0.076,1395 0.028,1396 9.291,1397 3.439,1398 0.225,1399 117.569,1400 0.191,1401 35.503,1402 0.338,1403 192,1404 591.321,1405 212.28,1406 554.935,1407 752.89,1408 522,1409 225,1410 543.003,1411 246.143,1412 548.576,1413 799.33,1414 513,1415 7.74}
{0 CHEMBL434948,1 1.514,2 12.889,3 2.564,4 6.575,5 104.728,6 6.588,7 0.207,8 4.108,9 4.246,10 3.563,11 3.591,12 5.077,13 3.55,14 4.73,15 4.946,16 3.907,17 4,18 5.659,19 3.928,20 5.053,21 5.303,22 3.96,23 4.189,24 5.983,25 4.074,26 5.119,27 5.387,28 3.772,29 4.173,30 5.991,31 4.004,32 5.096,33 5.404,34 3.683,35 4.038,36 5.979,37 3.861,38 4.893,39 5.182,40 3.674,41 3.888,42 5.808,43 3.767,44 4.772,45 5.029,46 3.725,47 3.868,48 5.797,49 3.774,50 4.767,51 5.004,52 3.694,53 3.858,54 5.821,55 3.759,56 0.012,57 0.888,58 13.439,59 5.403,60 5.282,61 7.741,62 0.284,63 1.436,64 26.272,65 8.571,66 24.148,67 13.087,68 0.524,69 1.755,70 37.095,71 11.986,72 56.267,73 17.75,74 0.428,75 1.672,76 39.393,77 13.404,78 65.774,79 19.611,80 0.536,81 1.475,82 38.836,83 11.928,84 92.697,85 18.507,86 0.469,87 1.33,88 32.056,89 9.172,90 60.512,91 14.27,92 0.483,93 1.261,94 28.349,95 8.635,96 55.176,97 12.87,98 0.264,99 1.23,100 27.8,101 9.115,102 50.316,103 13.13,104 17,105 39,106 0.252,107 0.498,108 0.724,109 0.83,110 0.853,111 0.871,112 3.339,113 1.041,114 -3.86,115 -3.82,116 -3.63,121 36.8,122 1,123 5,127 6,129 1,144 4,145 1,146 1,160 2,176 7,179 2,180 6,187 8,191 3,192 2,200 5,205 1,206 4,214 4,218 1,219 7,227 1,231 1,232 7,243 2,244 7,251 1,256 7,264 1,269 8,277 2,281 1159,282 18.068,283 18.068,284 18.068,285 18.068,286 18.068,287 17.032,288 24.213,289 10.763,290 18.404,291 14.282,292 14.282,293 14.282,294 14.282,295 14.282,296 12.652,297 28.145,298 5.117,299 14.826,300 4.319,301 2.846,302 1.487,303 0.855,304 0.715,305 0.61,306 4.021,311 1,312 1,313 739,314 3,318 306.629,325 2.42,326 33.109,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 59,338 348,339 4.146,340 3.887,341 6.251,342 3.951,343 2.992,344 3.615,345 2.058,346 9.37,347 2.863,348 4.008,349 3.528,350 6.021,351 3.731,352 2.792,353 3.312,354 1.909,355 8.547,356 2.623,357 3.793,358 3.061,359 5.745,360 3.602,361 2.621,362 2.803,363 0.8,364 7.619,365 2.571,366 3.627,367 2.947,368 5.405,369 3.363,370 2.405,371 2.775,372 0.767,373 7.108,374 2.303,375 3.413,376 2.608,377 4.888,378 3.038,379 2.084,380 2.689,381 0.397,382 5.687,383 1.965,384 2.916,385 2.377,386 4.552,387 2.741,388 1.741,389 1.912,391 4.698,392 1.724,393 2.632,394 2.085,395 4.228,396 2.567,397 1.595,398 1.625,400 3.984,401 1.543,402 2.5,403 1.706,404 3.755,405 2.403,406 1.414,407 1.5,409 3.025,410 1.397,411 2.414,412 1.463,413 3.601,414 2.191,415 1.204,416 1.414,418 2.838,419 1.18,420 2.367,421 1.145,422 3.414,423 2,424 1,425 1.297,427 2.275,428 1,429 1.934,430 1,431 3.308,432 1.823,433 0.842,434 0.891,436 1.966,437 0.821,438 1.681,439 0.984,440 2.945,441 1.409,442 0.409,443 0.473,445 0.965,446 0.403,447 1.131,448 0.67,449 2.654,450 1.036,451 0.048,452 0.051,454 0.108,455 0.047,456 1.084,457 0.489,458 2.521,459 0.752,460 -0.192,461 -0.228,463 -0.422,464 -0.175,465 0.745,466 0.213,467 2.13,468 0.586,469 -0.402,470 -0.422,472 -0.93,473 -0.393,474 12.652,475 0.469,476 0.647,477 0.024,478 26.5,479 0.981,480 9,481 0.333,482 17.5,483 0.648,484 27.757,485 1.028,486 31.748,487 0.557,488 18.983,489 0.703,490 4.978,491 0.184,492 8.047,493 0.298,494 0.115,496 0.292,499 1,501 0.597,502 1.462,503 0.869,504 1.341,505 0.48,506 1.185,507 0.721,508 1.138,509 0.963,510 1.083,511 0.487,512 1.054,513 0.947,514 0.945,515 1.068,516 1.017,517 0.858,518 1.048,519 0.893,520 0.975,521 1.086,522 1.16,523 0.96,524 1.166,525 0.702,526 0.772,527 0.807,528 0.858,529 0.722,530 0.856,531 1.034,532 0.836,533 0.897,534 0.794,535 0.981,536 0.808,537 1.051,538 0.772,539 0.96,540 0.867,541 1.07,542 0.885,543 1.128,544 1.083,545 1.007,546 1.157,547 1.269,548 1.083,549 5.5,550 0.07,551 3.333,552 1.375,553 1.449,554 0.639,555 0.487,556 0.439,557 0.353,558 0.188,559 9915,560 23188,561 2.035,562 52.6,563 2,564 17,569 9,570 2,572 1.695,573 1.906,574 3.613,575 -0.769,576 1,577 1,582 86.274,583 1.514,584 2.987,585 4.346,586 4.978,587 5.118,588 5.223,589 3.097,590 4.385,591 4.723,592 3.82,593 1340.96,594 8.17,595 18299.9,597 1,599 1,600 332.475,601 1.399,602 4.685,603 0.19,604 0.005,605 0.085,606 0.035,607 0.048,608 0.023,609 0.017,610 0.014,611 0.012,612 0.009,613 0.438,614 0.5,615 1,616 0.584,617 137.414,618 0.004,619 -0.252,620 0.058,621 -0.111,622 0.008,623 -0.036,624 0.03,625 -0.062,626 -0.002,627 -0.04,628 0.053,629 -0.027,630 -0.03,631 0.056,632 -0.091,633 -0.025,634 -0.02,635 -0.059,636 -0.056,637 -0.103,638 -0.137,639 -0.165,640 -0.064,641 -0.168,642 0.067,643 -0.052,644 0.136,645 0.054,646 0.078,647 0.098,648 -0.044,649 0.038,650 0.094,651 0.113,652 -0.029,653 0.129,654 0.02,655 0.191,656 0.044,657 0.092,658 -0.007,659 0.078,660 -0.065,661 -0.186,662 -0.019,663 -0.151,664 -0.051,665 -0.089,666 1.933,667 5.422,668 0.667,669 31.177,670 0.997,671 1.142,672 2.632,673 6.927,674 0.623,675 3.401,676 3.689,677 3.892,678 4.043,679 4.248,680 4.143,681 4.143,682 4.263,683 4.382,684 4.443,685 7.518,686 0.583,687 375.54,688 3.401,689 4.92,690 5.74,691 6.583,692 7.418,693 8.261,694 9.1,695 9.944,696 10.787,697 11.632,698 5.3,701 1,705 2,715 4,720 2,722 6,740 1,741 57,743 8,744 1,745 29,747 59,748 21,749 6,750 2,751 4,756 3,757 3,763 1,767 4,770 6,772 8,773 13,777 2,782 2,786 2,790 1,791 1,793 30,794 6,796 6,802 3,808 1,809 2,829 3,844 2,855 1,859 3,864 1,866 1,868 27,876 11,880 1,881 3,892 1,893 3.5,896 2,901 14.167,902 10.243,903 6,904 3.816,907 1.02,908 1.144,909 0.943,910 7.117,911 8.092,912 3.555,913 3.98,914 4.321,915 4.629,916 5.036,917 4.844,918 4.817,919 5.049,920 5.342,921 5.498,922 0.889,923 39,924 10.139,926 4.305,927 0.026,929 7.815,931 19.712,933 16.439,936 2.315,937 62.5,940 1,941 353.133,942 93.753,943 9.373,945 50.29,946 14.96,948 93.753,949 403.423,950 24.333,951 8.825,952 31.556,953 37.905,954 59.699,955 15.431,956 14.96,957 353.133,959 353.133,960 103.126,961 65.25,964 238.611,965 179.772,968 43.505,969 59.621,972 368.093,973 59.663,974 93.753,977 353.133,978 47.023,979 56.103,981 65.25,982 353.133,983 74.623,984 93.753,986 0.578,987 0.331,988 0.163,989 0.09,990 17,991 8,992 0.119,993 7,995 1,996 4.012,997 212.25,999 18,1000 124.382,1005 20.132,1006 9.544,1007 5.681,1009 74.623,1010 6.284,1015 0.701,1018 521.509,1019 34,1024 24.826,1028 0.031,1031 56.843,1032 65.066,1034 0.259,1035 0.512,1036 0.745,1037 0.853,1038 0.877,1039 0.895,1040 4.8,1041 1.414,1042 5.707,1043 3.984,1044 4.369,1045 4.663,1046 2.799,1047 6.447,1048 4.297,1049 5.93,1050 1.204,1051 7.231,1052 3.025,1053 3.892,1054 4.331,1055 2.301,1056 7.209,1057 3.754,1058 7.189,1059 1,1060 8.85,1061 2.838,1062 5.905,1063 6.553,1064 3.772,1065 10.239,1066 5.746,1067 8.47,1068 0.842,1069 10.525,1070 2.275,1071 6.217,1072 6.978,1073 3.891,1074 11.792,1075 5.987,1076 9.782,1077 0.409,1078 12.235,1079 1.966,1080 7.698,1081 8.725,1082 4.992,1083 14.326,1084 7.445,1085 11.112,1086 0.048,1087 13.968,1088 0.965,1089 8.382,1090 9.484,1091 5.387,1092 16.215,1093 8.064,1094 12.455,1095 -0.192,1096 15.717,1097 0.108,1098 9.633,1099 11.041,1100 6.301,1101 18.561,1102 9.287,1103 2.992,1104 -0.402,1105 17.479,1106 -0.422,1107 10.505,1108 11.973,1109 6.836,1110 20.609,1111 10.098,1112 2.792,1113 9.37,1114 19.249,1115 -0.93,1116 11.651,1117 13.437,1118 7.652,1119 22.878,1120 11.21,1121 2.621,1122 8.547,1123 21.027,1124 3.615,1125 12.619,1126 14.471,1127 8.263,1128 25.005,1129 12.122,1130 2.405,1131 7.619,1132 22.81,1133 3.312,1134 13.719,1135 15.88,1136 9.027,1137 27.242,1138 13.183,1139 2.084,1140 7.108,1141 24.598,1142 2.803,1143 14.735,1144 16.984,1145 9.681,1146 29.411,1147 14.148,1148 1.741,1149 5.687,1150 26.39,1151 2.775,1152 15.816,1153 18.356,1154 10.417,1155 31.636,1156 15.187,1157 1.595,1158 4.698,1159 28.185,1160 2.689,1161 16.859,1162 19.509,1163 11.094,1164 33.828,1165 16.18,1166 9586,1167 14884,1168 19.186,1169 35.523,1170 42.729,1171 44.363,1172 43.675,1173 42.427,1174 42.297,1175 48.714,1176 11.861,1177 116.377,1178 40.877,1179 5.146,1180 5.887,1181 5.944,1182 5.019,1183 4.992,1184 6.615,1185 3.571,1186 16.057,1187 4.863,1188 13.606,1189 1.473,1190 1.53,1191 1.506,1192 1.463,1193 1.459,1194 1.68,1195 0.409,1196 4.013,1197 1.41,1198 3.969,1199 4.017,1200 3.897,1201 3.87,1202 8.201,1203 3.869,1204 3.89,1205 3.943,1206 3.798,1207 3.746,1208 7.434,1209 3.745,1210 3.824,1211 3.872,1212 3.732,1213 3.625,1214 7.42,1215 3.649,1216 3.532,1217 3.605,1218 3.38,1219 3.367,1220 4.64,1221 3.357,1222 3.34,1223 3.409,1224 3.197,1225 3.17,1226 4.384,1227 3.165,1228 3.286,1229 3.376,1230 3.094,1231 3.126,1232 4.161,1233 3.097,1234 3.168,1235 3.188,1236 3.058,1237 2.933,1238 3.966,1239 2.959,1240 3.068,1241 3.161,1242 2.891,1243 2.843,1244 3.786,1245 2.839,1246 0.143,1247 0.134,1248 0.216,1249 0.136,1250 0.103,1251 4.146,1252 0.125,1253 3.887,1254 0.071,1255 6.251,1256 0.323,1257 3.951,1258 0.099,1259 2.992,1260 3.615,1261 2.058,1262 9.37,1263 2.863,1264 1.918,1265 1.889,1266 2.082,1267 2.062,1268 1.44,1269 2.068,1270 1.866,1271 1.803,1272 2.042,1273 2.029,1274 1.267,1275 2.035,1276 1.751,1277 1.701,1278 1.922,1279 1.958,1280 1.206,1281 1.95,1282 1.529,1283 1.46,1284 1.778,1285 1.731,1286 1.006,1287 1.754,1288 1.333,1289 1.262,1290 1.673,1291 1.547,1292 0.916,1293 1.592,1294 1.318,1295 1.24,1296 1.586,1297 1.531,1298 0.817,1299 1.556,1300 1.087,1301 1.045,1302 1.418,1303 1.343,1304 0.681,1305 1.361,1306 1.056,1307 0.965,1308 1.373,1309 1.32,1310 0.612,1311 1.335,1312 4.078,1314 5.371,1316 6.853,1318 8.421,1320 10.031,1322 2.272,1324 12.962,1328 8.986,1332 0.624,1333 5.814,1340 33.252,1341 86.274,1342 170.263,1343 247.72,1344 283.72,1345 291.72,1346 297.72,1347 65.546,1348 7.072,1349 43.86,1350 43.86,1351 18,1352 12.194,1353 3.17,1354 2.585,1355 47.303,1356 123,1357 118,1358 0.187,1359 204.966,1360 367.33,1361 491.877,1362 11702,1363 1.8,1364 19.225,1365 0.712,1366 0.6,1367 18.355,1368 16.201,1369 13.025,1370 0.449,1371 0.347,1372 9.927,1373 12.472,1374 9.706,1375 7.997,1376 12.631,1377 10.068,1378 11.602,1379 0.297,1380 0.198,1381 10.98,1382 7.741,1383 9.479,1384 0.197,1385 0.12,1386 9.068,1387 5.755,1388 7.141,1389 0.128,1390 0.071,1391 6.999,1392 3.98,1393 5.876,1394 0.085,1395 0.041,1396 5.592,1397 2.845,1398 0.303,1399 81.895,1400 0.228,1401 26.681,1402 0.486,1403 136,1404 422.518,1405 151.503,1406 375.803,1407 490.92,1408 350,1409 155,1410 338.705,1411 170.389,1412 333.852,1413 483.94,1414 314,1415 4.699}
{0 CHEMBL435109,1 1.402,2 8.5,3 3.087,4 9.531,5 74.999,6 7.95,7 0.571,8 3.615,9 3.693,10 3.226,11 3.18,12 4.86,13 3.177,14 4.086,15 4.212,16 3.518,17 3.485,18 5.301,19 3.481,20 4.221,21 4.339,22 3.631,23 3.581,24 5.656,25 3.571,26 4.277,27 4.422,28 3.533,29 3.52,30 5.63,31 3.497,32 4.281,33 4.457,34 3.467,35 3.429,36 5.68,37 3.402,38 4.083,39 4.237,40 3.304,41 3.318,42 5.493,43 3.271,44 4.037,45 4.229,46 3.075,47 3.185,48 5.274,49 3.125,50 3.857,51 4.026,52 2.833,53 2.995,54 5.015,55 2.932,56 0.045,57 0.398,58 5.808,59 3.303,60 5.063,61 3.692,62 0.226,63 0.617,64 11.551,65 5.096,66 22.159,67 5.646,68 0.287,69 0.705,70 12.85,71 5.832,72 44.893,73 6.556,74 0.258,75 0.738,76 14.506,77 6.115,78 36.883,79 6.92,80 0.514,81 0.724,82 16.382,83 6.018,84 67.67,85 7.098,86 0.376,87 0.606,88 12.261,89 5.061,90 46.008,91 6.014,92 0.285,93 0.574,94 12.847,95 4.812,96 50.396,97 5.695,98 0.288,99 0.469,100 10.545,101 3.868,102 40.694,103 4.247,104 21,105 28,106 0.258,107 0.528,108 0.615,109 0.702,110 0.702,111 0.702,112 3.057,113 0.861,114 -3.52,115 -3.5,116 -3.34,121 47.1,126 2,144 8,145 2,146 2,159 2,176 8,180 6,187 8,191 1,192 10,200 5,206 8,214 4,218 2,219 4,227 6,231 2,232 4,239 6,244 4,251 5,256 2,264 2,268 1,269 2,277 1,281 484,282 13.516,283 13.516,284 13.516,285 13.516,286 13.516,287 11.948,288 10.374,289 7.946,290 13.826,291 10.19,292 10.19,293 10.19,294 10.19,295 10.19,296 7.626,297 9.892,298 3.577,299 10.454,300 3.685,301 2.221,302 1.75,303 1.28,304 1.28,305 1.28,306 3.713,310 1,311 1,312 1,313 348,314 3.162,318 139.874,325 1.3,326 26.842,328 1,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 44,338 170,339 4.41,340 3.839,341 6.538,342 4.09,343 3.061,344 3.976,345 0.86,346 10.095,347 3.147,348 4.078,349 3.037,350 5.807,351 3.659,352 2.679,353 3.693,354 0.86,355 8.062,356 2.63,357 3.763,358 2.828,359 5.338,360 3.354,361 2.394,362 3.167,364 6.835,365 2.288,366 3.402,367 2.75,368 5.134,369 3.026,370 2.061,371 2.67,373 6.09,374 1.973,375 2.933,376 1.937,377 4.393,378 2.473,379 1.48,380 2.07,382 3.879,383 1.456,384 2.712,385 1.913,386 3.54,387 2.231,388 1.238,389 1.794,391 2.677,392 1.225,393 2.577,394 1.227,395 3.479,396 2.08,397 1.068,398 1.586,400 2.497,401 1.078,402 2.212,403 1.226,404 3.208,405 1.55,406 0.465,407 0.725,409 1.028,410 0.484,411 1.583,412 0.936,413 2.693,414 1.293,415 0.427,416 0.48,418 0.621,419 0.366,420 1.583,421 0.936,422 2.674,423 1.291,424 0.396,425 0.475,427 0.614,428 0.36,429 0.766,430 -0.124,431 2.308,432 0.31,433 -0.682,434 -0.902,436 -1.425,437 -0.654,438 0.76,439 -0.369,440 1.787,441 0.308,442 -0.694,443 -0.934,445 -1.435,446 -0.668,447 0.584,448 -0.396,449 1.65,450 0.134,451 -0.843,452 -1.15,454 -2.229,455 -0.826,456 0.582,457 -0.589,458 1.613,459 0.134,460 -0.845,461 -1.213,463 -2.233,464 -0.84,465 0.194,466 -0.919,467 1.469,468 -0.239,469 -1.336,470 -1.928,472 -3.467,473 -1.406,474 9.333,475 0.467,476 0.435,477 0.022,478 28,479 1.4,480 16,481 0.8,482 12,483 0.6,484 11.603,485 0.58,486 21.267,487 0.625,488 20.684,489 1.034,490 6.054,491 0.303,492 3.597,493 0.18,494 0.179,496 0.321,501 0.694,502 1.115,503 0.705,504 1.09,505 0.568,506 0.938,507 1.133,508 0.836,509 0.84,510 0.814,511 0.74,512 0.765,513 0.965,514 1.097,515 0.905,516 1.08,517 0.795,518 0.998,519 1.18,520 1.204,521 1.048,522 1.184,523 1.409,524 1.103,525 1.098,526 0.86,527 0.93,528 0.851,529 1.52,530 0.849,531 0.833,532 1.112,533 1.019,534 1.121,535 1.268,536 1.117,537 1.238,538 0.938,539 1.101,540 0.938,541 1.6,542 0.975,543 1.581,544 0.973,545 1.406,546 0.987,547 1.448,548 1.119,549 4,550 0.041,551 2.222,552 1.5,553 1.164,554 0.708,555 0.327,556 0.142,557 0.099,558 0.071,559 3401,560 10853,561 1.966,562 41.2,564 14,572 1.62,573 1.818,574 3.119,575 -0.787,577 1,579 1,582 47.671,583 1.402,584 2.867,585 3.337,586 3.808,587 3.808,588 3.808,589 2.522,590 3.122,591 4.294,592 3.192,593 606.513,594 7.346,595 6185.22,596 1,597 1,598 1,599 1,600 172.974,601 1.485,602 4.237,603 0.19,604 0.01,605 0.079,606 0.05,607 0.045,608 0.03,609 0.016,610 0.009,611 0.008,612 0.009,613 0.447,614 0.67,615 1,616 1.013,617 88.279,618 -0.019,619 -0.09,620 0.04,621 -0.077,622 -0.058,623 -0.019,624 -0.155,625 0.163,626 0.048,627 0.172,628 -0.061,629 0.163,630 0.016,631 -0.104,632 -0.026,633 -0.102,634 0.188,635 -0.08,636 -0.133,637 -0.23,638 -0.112,639 -0.221,640 -0.118,641 -0.173,642 0.083,643 0.104,644 0.096,645 0.105,646 -0.014,647 0.104,648 0.18,649 -0.139,650 -0.073,651 -0.154,652 0.039,653 -0.172,654 -0.179,655 0.023,656 -0.088,657 0.023,658 -0.231,659 -0.003,660 -0.336,661 -0.011,662 -0.394,663 -0.04,664 -0.334,665 -0.193,666 2.239,667 5.167,668 0.6,669 13.44,670 1.015,671 1.11,672 2.29,673 5.245,674 0.681,675 3.091,676 3.367,677 3.611,678 3.761,679 3.932,680 3.85,681 3.85,682 3.714,683 3.638,684 3.555,685 5.058,686 0.663,687 270.3,688 3.091,689 4.595,690 5.425,691 6.275,692 7.122,693 7.978,694 8.83,695 9.688,696 10.542,697 11.401,715 8,720 4,722 12,727 2,739 2,741 34,743 14,744 2,745 21,747 35,748 16,749 12,750 4,751 8,752 2,756 2,757 2,772 14,773 2,777 2,782 2,786 2,789 1,790 1,793 14,794 4,796 4,808 1,809 4,829 2,859 2,864 2,868 20,878 2,893 11.8,896 2,898 2,901 11,902 6.833,903 4.667,904 1.799,907 2.16,908 1.35,909 0.935,910 4.41,911 8.329,912 3.401,913 3.951,914 4.527,915 4.992,916 5.483,917 5.511,918 5.741,919 5.731,920 5.844,921 6.079,922 0.833,923 30,924 7.389,926 3.068,927 0.026,929 8.05,931 13.544,933 10.351,936 2.55,937 51,941 164.795,942 124.701,945 72.29,948 124.701,949 237.085,951 21.766,953 75.81,954 60.557,955 38.858,957 164.795,959 164.795,960 124.701,961 72.29,964 164.795,965 72.29,969 124.701,972 164.795,973 72.29,974 124.701,977 164.795,978 27.125,979 97.576,981 72.29,982 164.795,983 72.29,984 124.701,986 0.568,987 0.348,988 0.175,989 0.093,990 12,991 6,992 0.143,993 5,995 1,996 3.155,997 141.986,999 12,1000 66.439,1005 14.13,1006 6.242,1007 3.197,1009 72.29,1010 13.03,1015 1.679,1018 361.786,1019 29,1024 24.334,1028 -1.144,1031 34.494,1032 37.744,1034 0.276,1035 0.563,1036 0.656,1037 0.748,1038 0.748,1039 0.748,1040 4.595,1041 0.465,1042 5.398,1043 2.497,1044 4.043,1045 4.635,1046 1.376,1047 6.176,1048 4.017,1049 5.795,1050 0.427,1051 6.948,1052 1.028,1053 3.611,1054 4.369,1056 7.04,1057 3.611,1058 7.091,1059 0.396,1060 8.598,1061 0.621,1062 5.609,1063 6.791,1064 1.159,1065 10.106,1066 5.589,1067 8.425,1068 -0.682,1069 10.306,1070 0.614,1071 5.994,1072 7.312,1074 11.755,1075 6.019,1076 9.788,1077 -0.694,1078 12.049,1079 -1.425,1080 7.453,1081 9.201,1082 0.963,1083 14.355,1084 7.471,1085 11.173,1086 -0.843,1087 13.817,1088 -1.435,1089 8.208,1090 10.09,1092 16.34,1093 8.28,1094 12.573,1095 -0.845,1096 15.604,1097 -2.229,1098 9.45,1099 11.74,1100 0.787,1101 18.771,1102 9.53,1103 3.061,1104 -1.336,1105 17.404,1106 -2.233,1107 10.383,1108 12.825,1110 20.917,1111 10.514,1112 2.679,1113 10.095,1114 19.215,1115 -3.467,1116 11.536,1117 14.351,1118 0.634,1119 23.279,1120 11.687,1121 2.394,1122 8.062,1123 21.036,1124 3.976,1125 12.555,1126 15.549,1128 25.505,1129 12.754,1130 2.061,1131 6.835,1132 22.864,1133 3.693,1134 13.674,1135 17.005,1136 0.504,1137 27.838,1138 13.9,1139 1.48,1140 6.09,1141 24.699,1142 3.167,1143 14.737,1144 18.27,1146 30.104,1147 15.005,1148 1.238,1149 3.879,1150 26.54,1151 2.67,1152 15.844,1153 19.688,1154 0.395,1155 32.425,1156 16.144,1157 1.068,1158 2.677,1159 28.385,1160 2.07,1161 16.929,1162 20.992,1164 34.712,1165 17.267,1166 3505,1167 6352,1168 13.523,1169 23.148,1170 30.89,1171 33.411,1172 32.276,1173 30.473,1174 30.539,1175 41.27,1176 3.44,1177 84.795,1178 30.014,1179 5.24,1180 5.839,1181 6.128,1182 5.09,1183 5.061,1184 6.976,1185 1.72,1186 17.278,1187 5.147,1188 10.677,1189 1.471,1190 1.591,1191 1.537,1192 1.451,1193 1.454,1194 1.965,1195 0.164,1196 4.038,1197 1.429,1198 3.987,1199 3.998,1200 3.946,1201 3.909,1202 7.497,1203 3.915,1204 3.866,1205 3.885,1206 3.809,1207 3.796,1208 7.352,1209 3.795,1210 3.437,1211 3.435,1212 3.395,1213 3.235,1214 4.864,1215 3.272,1216 3.246,1217 3.31,1218 3.072,1219 2.969,1220 4.835,1221 2.981,1222 3.198,1223 3.259,1224 3.014,1225 2.942,1226 4.361,1227 2.946,1228 2.872,1229 2.913,1230 2.772,1231 2.748,1232 4.347,1233 2.743,1234 2.767,1235 2.84,1236 2.572,1237 2.627,1238 3.635,1239 2.603,1240 2.747,1241 2.813,1242 2.55,1243 2.604,1244 3.577,1245 2.58,1246 0.21,1247 0.183,1248 0.311,1249 0.195,1250 0.146,1251 4.41,1252 0.189,1253 3.839,1254 0.041,1255 6.538,1256 0.481,1257 4.09,1258 0.15,1259 3.061,1260 3.976,1261 0.86,1262 10.095,1263 3.147,1264 1.937,1265 1.925,1266 2.024,1267 2.033,1268 1.109,1269 2.028,1270 1.856,1271 1.836,1272 1.965,1273 1.951,1274 1.046,1275 1.955,1276 1.317,1277 1.314,1278 1.58,1279 1.58,1280 0.579,1281 1.565,1282 1.194,1283 1.123,1284 1.569,1285 1.507,1286 0.573,1287 1.527,1288 1.157,1289 1.088,1290 1.358,1291 1.418,1292 0.356,1293 1.406,1294 0.865,1295 0.82,1296 1.12,1297 1.035,1298 0.184,1299 1.062,1300 0.793,1301 0.725,1302 1.073,1303 0.98,1304 0.143,1305 1.017,1306 0.764,1307 0.702,1308 1.019,1309 0.95,1310 0.109,1311 0.974,1312 3.761,1314 5.043,1316 6.538,1318 8.118,1320 9.74,1322 3.015,1330 10.087,1340 22.547,1341 47.671,1342 97.464,1343 113.464,1344 129.464,1345 129.464,1346 129.464,1347 42.53,1348 6.17,1349 52.6,1350 52.6,1351 12,1352 11.953,1353 3.907,1354 3.17,1355 36.333,1356 60,1357 58,1358 0.304,1359 142.027,1360 252.88,1361 338.306,1362 3117,1364 14.535,1365 0.727,1366 0.563,1367 14.535,1368 11.252,1369 9.651,1370 0.46,1371 0.287,1372 5.915,1373 9.211,1374 5.707,1375 4.8,1376 9.651,1377 6.026,1378 8.12,1379 0.29,1380 0.147,1381 8.12,1382 4.122,1383 7.118,1384 0.198,1385 0.08,1386 7.118,1387 2.87,1388 5.22,1389 0.124,1390 0.043,1391 5.22,1392 1.791,1393 4.075,1394 0.081,1395 0.023,1396 4.075,1397 1.155,1398 0.465,1399 61.294,1400 0.272,1401 19.803,1402 0.862,1403 98,1404 360.942,1405 107.964,1406 337.011,1407 443.5,1408 314,1409 113,1410 304.364,1411 123.077,1412 310.743,1413 446.96,1414 288,1415 4}
{0 CHEMBL435373,1 1.727,2 6.857,3 2.74,4 7.506,5 74.225,6 8.231,7 0.261,8 3.711,9 3.824,10 3.328,11 3.239,12 4.907,13 3.246,14 4.296,15 4.446,16 3.877,17 3.692,18 6.024,19 3.689,20 4.568,21 4.746,22 3.857,23 3.932,24 5.712,25 3.88,26 4.75,27 4.973,28 3.891,29 3.973,30 5.798,31 3.895,32 4.838,33 5.079,34 3.925,35 3.83,36 6.235,37 3.791,38 4.718,39 5.004,40 3.542,41 3.41,42 6.149,43 3.403,44 4.029,45 4.267,46 3.148,47 2.733,48 5.695,49 2.798,50 3.648,51 3.934,52 2.361,53 2.041,54 5.194,55 2.145,56 0.161,57 0.75,58 6.326,59 3.607,60 37.471,61 3.944,62 0.791,63 1.557,64 13.857,65 6.419,66 142.772,67 7.48,68 0.475,69 1.42,70 17.884,71 8.138,72 80.981,73 10.014,74 0.553,75 1.565,76 24.064,77 9.715,78 111.903,79 12.987,80 0.978,81 1.89,82 29.367,83 9.663,84 178.623,85 11.966,86 1.368,87 1.521,88 32.844,89 8.69,90 231.6,91 9.175,92 0.677,93 0.841,94 14.575,95 3.696,96 90.319,97 3.97,98 0.628,99 0.521,100 12.311,101 2.723,102 111.265,103 2.074,104 39,105 37,106 0.318,107 0.713,108 0.832,109 0.873,110 0.873,111 0.873,112 3.106,113 0.867,114 -4.31,115 -4.24,116 -4,121 41.7,122 1,123 2,124 1,132 1,134 1,137 2,138 2,144 2,145 1,148 1,149 1,165 1,166 1,167 1,176 9,180 3,183 1,185 4,187 13,189 3,192 2,197 5,200 13,203 4,206 3,208 1,209 1,211 6,214 12,216 4,219 2,224 1,227 6,232 1,236 1,237 3,238 1,239 2,249 2,261 1,281 503,282 13.099,283 13.099,284 13.099,285 13.099,286 13.099,287 11.932,288 17.279,289 7.235,290 13.493,291 11.374,292 11.374,293 11.374,294 11.374,295 11.374,296 9.515,297 21.317,298 3.474,299 12.125,300 3.443,301 1.299,302 0.653,303 0.431,304 0.431,305 0.431,306 3.772,310 1,311 1,312 1,313 301,314 3.606,318 120.514,320 49.246,322 68.212,324 78.946,325 1.197,326 42.849,328 1,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 48.5,338 144,339 4.822,340 4.4,341 7.927,342 4.656,343 3.673,344 4.208,345 3.825,346 14.944,347 3.614,348 4.19,349 4.068,350 6.478,351 3.906,352 3.09,353 3.583,354 1.345,355 10.183,356 2.612,357 3.959,358 2.912,359 6.103,360 3.582,361 2.632,362 3.134,363 0.68,364 8.571,365 2.429,366 3.677,367 2.826,368 5.802,369 3.42,370 2.433,371 2.912,372 0.639,373 7.956,374 2.374,375 3.358,376 2.572,377 5.102,378 3.094,379 2.111,380 2.533,382 5.976,383 2.058,384 3.316,385 2.313,386 4.948,387 2.918,388 1.967,389 2.423,391 5.642,392 1.853,393 2.664,394 1.395,395 4.286,396 2.229,397 1.254,398 1.722,400 3.446,401 1.219,402 2.133,403 1.059,404 3.884,405 1.674,406 0.708,407 0.899,409 2.152,410 0.677,411 1.369,412 0.51,413 3.266,414 1.111,415 0.124,416 0.146,418 0.351,419 0.122,420 0.96,421 0.51,422 3.133,423 0.612,424 -0.309,425 -0.365,427 -0.784,428 -0.28,429 0.758,430 0.421,431 2.831,432 0.475,433 -0.499,434 -0.526,436 -1.428,437 -0.484,438 0.457,439 0.081,440 2.562,441 0.349,442 -0.617,443 -0.665,445 -1.846,446 -0.593,447 0.348,448 0.054,449 2.333,450 0.081,451 -0.879,452 -1,454 -2.881,455 -0.7,456 0.058,457 -0.041,458 2.19,459 -0.226,460 -1,461 -1,463 -3,464 -0.7,466 -0.536,467 2,468 -0.3,469 -1,470 -1.035,472 -3,473 -0.841,474 9.49,475 0.452,476 0.984,477 0.047,478 21.75,479 1.036,480 8.5,481 0.405,482 13.25,483 0.631,484 20.49,485 0.976,486 24.11,487 0.67,488 17.367,489 0.827,490 4.166,491 0.198,492 5.522,493 0.263,494 0.22,495 0.105,496 0.316,498 3,501 0.632,502 0.88,503 0.685,504 0.956,505 0.694,506 0.879,507 0.322,508 0.722,509 0.562,510 0.949,511 0.297,512 0.901,513 0.57,514 0.795,515 0.944,516 1.097,517 0.542,518 1.163,519 0.43,520 0.822,521 0.805,522 1.153,523 0.452,524 1.16,525 0.9,526 1.079,527 0.996,528 1.162,529 0.896,530 1.136,531 1.745,532 1.245,533 1.263,534 0.807,535 1.75,536 0.799,537 1.569,538 1.21,539 1.181,540 1.009,541 1.536,542 0.956,543 2.865,544 1.566,545 1.818,546 0.657,547 2.904,548 0.695,549 8,551 3.333,552 2.5,553 2.431,554 1.104,555 0.749,556 0.2,557 0.135,559 3397,560 13046,561 1.968,562 41.7,563 4,564 4,567 3,568 2,569 2,572 1.642,573 1.75,574 2.755,575 1.109,576 1,577 1,579 1,582 62.156,583 1.727,584 3.871,585 4.517,586 4.739,587 4.739,588 4.739,589 2.284,590 4.071,591 4.361,592 2.895,593 607.855,594 7.529,595 6083.27,596 1,597 1,598 1,599 1,600 186.117,601 1.884,602 4.251,603 0.348,605 0.09,606 0.066,607 0.066,608 0.033,609 0.036,610 0.015,611 0.027,613 0.681,614 0.83,615 1,616 1.144,617 90.752,618 -0.073,619 0.047,620 -0.014,621 0.133,622 -0.129,623 0.106,624 0.429,625 0.3,626 0.228,627 0.124,628 0.466,629 0.091,630 -0.062,631 0.004,632 -0.194,633 -0.081,634 -0.044,635 -0.159,636 0.048,637 -0.136,638 0.022,639 -0.18,640 0.018,641 -0.123,642 -0.006,643 -0.173,644 -0.016,645 -0.229,646 -0.004,647 -0.163,648 -0.274,649 -0.052,650 -0.034,651 0.135,652 -0.267,653 0.165,654 -0.099,655 -0.123,656 -0.012,657 -0.135,658 -0.095,659 -0.083,660 -0.645,661 0.051,662 -0.364,663 0.277,664 -0.64,665 0.171,666 5.654,667 4.846,668 0.619,669 13.664,670 1.032,671 1.154,672 3.076,673 9.463,674 0.649,675 3.178,676 3.638,677 3.871,678 4.263,679 4.595,680 4.745,681 4.852,682 4.905,683 4.875,684 4.718,685 4.302,686 0.642,687 296.32,688 3.178,689 4.796,690 5.666,691 6.627,692 7.532,693 8.494,694 9.416,695 10.376,696 11.307,697 12.266,698 5.6,699 1,708 1,715 2,716 1,720 3,722 6,738 1,741 36,743 8,745 23,747 38,748 15,749 5,756 3,757 6,763 2,767 2,768 2,769 1,770 2,772 9,773 6,774 2,777 2,784 2,786 2,789 1,790 1,791 3,793 15,794 6,795 3,796 6,802 2,808 0.333,809 1,822 1,829 3,831 1,833 1,835 1,849 2,850 2,851 1,859 1,864 1,866 3,868 21,869 1,875 1,876 2,880 1,882 2,892 3,893 2.8,895 1,901 12,902 6.579,903 4.222,904 2.042,907 1.931,908 1.274,909 0.945,910 3.016,911 8.988,912 3.367,913 3.998,914 4.491,915 5.055,916 5.611,917 5.909,918 6.247,919 6.519,920 6.784,921 6.866,922 0.8,923 38,924 8.249,926 4.14,927 0.026,929 8.46,931 14.243,933 12.449,936 2.96,937 62.167,941 141.253,942 71.872,943 49.683,945 42.683,946 44.88,948 71.872,949 183.937,950 94.563,951 8.825,952 37.966,953 37.905,954 59.469,955 57.194,957 141.253,958 7.76,959 141.253,960 121.555,961 87.564,964 117.711,965 111.106,968 57.308,969 28.509,970 35.738,972 186.134,973 92.366,974 71.872,977 149.013,978 17.383,979 46.73,981 137.246,982 141.253,983 137.246,984 71.872,986 0.619,987 0.327,988 0.19,989 0.126,990 21,991 10,994 3,995 1.385,996 3.031,997 177.268,998 0.462,999 12,1000 87.484,1005 14.307,1006 4.427,1007 2.389,1009 137.246,1010 2.948,1011 4.035,1015 1.004,1017 75.581,1018 350.372,1019 28,1026 2.147,1028 1.154,1031 37.138,1032 41.547,1034 0.334,1035 0.749,1036 0.874,1037 0.917,1038 0.917,1039 0.917,1040 4.714,1041 0.708,1042 5.79,1043 3.446,1044 4.317,1045 4.682,1046 3.244,1047 6.77,1048 4.214,1049 6,1050 0.124,1051 7.467,1052 2.152,1053 4.443,1054 4.783,1055 3.925,1056 8.281,1057 4.217,1058 7.38,1059 -0.309,1060 9.26,1061 0.351,1062 6.172,1063 6.865,1064 5.444,1065 11.366,1066 5.977,1067 8.788,1068 -0.499,1069 11.123,1070 -0.784,1071 6.986,1072 7.629,1073 6.693,1074 13.649,1075 6.707,1076 10.223,1077 -0.617,1078 13.033,1079 -1.428,1080 8.369,1081 9.324,1082 8.06,1083 16.436,1084 8.108,1085 11.679,1086 -0.879,1087 14.977,1088 -1.846,1089 9.459,1090 10.402,1091 9.389,1092 18.996,1093 9.163,1094 13.152,1095 -1,1096 16.947,1097 -2.881,1098 10.751,1099 11.942,1100 10.735,1101 21.715,1102 10.462,1103 3.673,1104 -1,1105 18.938,1106 -3,1107 11.954,1108 13.185,1109 12.074,1110 24.37,1111 11.655,1112 3.09,1113 14.944,1114 20.945,1115 -3,1116 13.228,1117 14.659,1118 13.417,1119 27.075,1120 12.933,1121 2.632,1122 10.183,1123 22.965,1124 4.208,1125 14.479,1126 15.989,1127 14.758,1128 29.762,1129 14.181,1130 2.433,1131 8.571,1132 24.996,1133 3.583,1134 15.756,1135 17.435,1136 16.1,1137 32.465,1138 15.458,1139 2.111,1140 7.956,1141 27.035,1142 3.134,1143 17.028,1144 18.812,1145 17.441,1146 35.163,1147 16.728,1148 1.967,1149 5.976,1150 29.08,1151 2.912,1152 18.311,1153 20.247,1154 18.783,1155 37.866,1156 18.007,1157 1.254,1158 5.642,1159 31.131,1160 2.533,1161 19.594,1162 21.648,1163 20.124,1164 40.568,1165 19.286,1166 3473,1167 6898,1168 14.216,1169 23.37,1170 37.064,1171 35.364,1172 37.68,1173 36.275,1174 35.983,1175 43.119,1176 12.979,1177 118.44,1178 33.918,1179 5.776,1180 6.4,1181 7.203,1182 5.696,1183 5.673,1184 7.208,1185 5.335,1186 23.577,1187 5.614,1188 13.159,1189 1.611,1190 1.538,1191 1.638,1192 1.577,1193 1.564,1194 1.875,1195 0.564,1196 5.15,1197 1.475,1198 4.081,1199 4.111,1200 4.033,1201 4.007,1202 8.514,1203 4.009,1204 3.714,1205 3.749,1206 3.668,1207 3.603,1208 7.999,1209 3.609,1210 3.523,1211 3.57,1212 3.493,1213 3.334,1214 7.999,1215 3.349,1216 3.265,1217 3.341,1218 3.123,1219 3.113,1220 6.476,1221 3.104,1222 3.222,1223 3.295,1224 3.111,1225 2.976,1226 5.046,1227 3.003,1228 2.82,1229 2.889,1230 2.714,1231 2.604,1232 4.656,1233 2.609,1234 2.744,1235 2.819,1236 2.597,1237 2.464,1238 4.387,1239 2.488,1240 2.668,1241 2.782,1242 2.38,1243 2.351,1244 3.96,1245 2.363,1246 0.21,1247 0.191,1248 0.345,1249 0.202,1250 0.16,1251 4.822,1252 0.183,1253 4.4,1254 0.166,1255 7.927,1256 0.65,1257 4.656,1258 0.157,1259 3.673,1260 4.208,1261 3.825,1262 14.944,1263 3.614,1264 2.043,1265 2.017,1266 2.142,1267 2.137,1268 1.458,1269 2.14,1270 1.682,1271 1.649,1272 1.818,1273 1.821,1274 0.946,1275 1.818,1276 1.434,1277 1.39,1278 1.63,1279 1.654,1280 0.838,1281 1.627,1282 1.262,1283 1.196,1284 1.51,1285 1.473,1286 0.675,1287 1.494,1288 1.116,1289 1.054,1290 1.353,1291 1.43,1292 0.459,1293 1.406,1294 0.799,1295 0.717,1296 1.164,1297 1.08,1298 0.246,1299 1.122,1300 0.646,1301 0.581,1302 1.016,1303 1.022,1305 0.995,1306 0.6,1307 0.488,1308 0.9,1309 0.944,1311 0.964,1312 3.85,1314 5.273,1316 6.884,1318 8.604,1320 10.388,1322 1.873,1324 38.539,1326 6.373,1327 9.478,1328 0.646,1332 -0.424,1334 -5.605,1340 23.122,1341 62.156,1342 139.362,1343 162.608,1344 170.608,1345 170.608,1346 170.608,1347 53.984,1348 7.057,1349 59.14,1350 59.14,1351 18,1352 12.754,1353 3.17,1354 2.585,1355 31.772,1356 53,1357 57,1358 0.314,1359 139.018,1360 255.88,1361 330.963,1362 8982,1363 8.3,1364 15.414,1365 0.734,1366 0.543,1367 12.914,1368 11.407,1369 9.688,1370 0.421,1371 0.289,1372 6.528,1373 9.219,1374 6.383,1375 5.206,1376 8.542,1377 6.644,1378 10.703,1379 0.289,1380 0.156,1381 8.346,1382 5.777,1383 7.439,1384 0.158,1385 0.088,1386 7.047,1387 4.131,1388 6.968,1389 0.1,1390 0.049,1391 6.708,1392 3.457,1393 6.093,1394 0.062,1395 0.026,1396 5.107,1397 2.547,1398 0.454,1399 61.615,1400 0.265,1401 19.802,1402 0.993,1403 120,1404 499.44,1405 142.645,1406 405.641,1407 521.77,1408 372,1409 144,1410 362.692,1411 157.888,1412 350.196,1413 533.48,1414 328,1415 5.699}
{0 CHEMBL436302,1 1.487,2 8.448,3 3.776,4 14.255,5 114.145,6 7.027,7 0.375,8 4.119,9 4.235,10 3.633,11 3.642,12 5.197,13 3.618,14 4.667,15 4.841,16 4.007,17 4.05,18 5.679,19 4.002,20 4.901,21 5.092,22 4.188,23 4.239,24 5.864,25 4.191,26 5.022,27 5.196,28 4.301,29 4.325,30 6.145,31 4.282,32 5.164,33 5.365,34 4.32,35 4.406,36 6.212,37 4.349,38 5.221,39 5.428,40 4.367,41 4.432,42 6.349,43 4.356,44 5.252,45 5.476,46 4.121,47 4.384,48 6.228,49 4.269,50 5.213,51 5.478,52 3.745,53 4.228,54 6.07,55 4.051,56 0.044,57 0.789,58 12.488,59 5.388,60 12.175,61 7.078,62 0.285,63 1.272,64 23.247,65 9.172,66 29.102,67 12.399,68 0.219,69 1.609,70 29.629,71 10.983,72 28.796,73 15.276,74 0.422,75 1.813,76 33.624,77 11.836,78 55.824,79 16.228,80 0.419,81 2.016,82 39.693,83 13.312,84 58.942,85 18.587,86 0.833,87 2.087,88 42.27,89 14.67,90 91.027,91 20.848,92 0.507,93 2.065,94 44.326,95 14.977,96 69.932,97 20.979,98 0.586,99 1.856,100 44.116,101 14.632,102 74.434,103 20.873,104 32,105 46,106 0.245,107 0.618,108 0.821,109 0.862,110 0.88,111 0.88,112 3.41,113 0.949,114 -4.12,115 -4.06,116 -3.84,121 41.1,122 2,123 4,124 1,126 1,127 1,138 1,141 1,144 4,145 3,146 2,148 1,149 1,158 1,165 1,166 1,167 1,176 11,179 1,180 10,183 1,185 3,187 14,189 2,192 8,197 3,200 11,203 2,205 1,206 13,208 2,209 3,211 8,214 13,216 4,219 5,224 3,227 10,229 2,231 4,232 11,234 2,235 4,236 1,237 6,238 1,239 15,241 3,244 5,249 3,251 11,253 1,256 6,261 3,264 10,266 1,269 2,274 1,277 6,281 1346,282 19.845,283 19.845,284 19.845,285 19.845,286 19.845,287 17.803,288 25.168,289 11.651,290 20.281,291 15.687,292 15.687,293 15.687,294 15.687,295 15.687,296 12.515,297 29.383,298 5.31,299 16.214,300 4.32,301 2.057,302 0.826,303 0.576,304 0.469,305 0.469,306 4.104,311 1,312 1,313 524,314 3.317,318 241.595,322 192.112,325 1.153,326 30.481,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 62.5,338 245,339 4.729,340 3.812,341 7.224,342 4.409,343 3.424,344 4.388,345 1.36,346 12.797,347 3.375,348 4.357,349 3.26,350 6.62,351 3.993,352 3.01,353 3.919,354 1.216,355 10.484,356 2.958,357 4.138,358 3.11,359 6.215,360 3.716,361 2.745,362 3.674,363 0.986,364 9.073,365 2.665,366 3.747,367 2.817,368 5.983,369 3.405,370 2.424,371 3.093,372 0.86,373 8.275,374 2.376,375 3.531,376 2.633,377 5.376,378 3.113,379 2.168,380 2.812,382 6.659,383 2.045,384 3.171,385 2.304,386 5.037,387 2.81,388 1.85,389 2.308,391 5.347,392 1.771,393 3.012,394 2.168,395 4.837,396 2.754,397 1.79,398 2.138,400 5.044,401 1.723,402 2.917,403 1.735,404 4.198,405 2.461,406 1.493,407 2.081,409 3.42,410 1.437,411 2.506,412 1.536,413 3.846,414 2.407,415 1.416,416 1.504,418 3.077,419 1.402,420 2.462,421 1.472,422 3.655,423 2.173,424 1.199,425 1.448,427 2.928,428 1.164,429 2.113,430 1.35,431 3.613,432 1.957,433 1,434 1.067,436 2.361,437 0.951,438 1.983,439 1.163,440 3.387,441 1.811,442 0.844,443 0.929,445 1.587,446 0.812,447 1.637,448 0.939,449 3.078,450 1.362,451 0.48,452 0.54,454 0.752,455 0.418,456 1.33,457 0.51,458 2.849,459 1.049,460 0.09,461 0.104,463 0.233,464 0.086,465 1.058,466 0.239,467 2.718,468 0.859,469 -0.101,470 -0.112,472 -0.258,473 -0.096,474 13.7,475 0.472,476 0.696,477 0.024,478 35,479 1.207,480 16.5,481 0.569,482 18.5,483 0.638,484 30.018,485 1.035,486 31.9,487 0.57,488 27.726,489 0.956,490 6.624,491 0.228,492 7.438,493 0.256,494 0.163,496 0.401,501 0.942,502 1.217,503 0.858,504 1.098,505 1.024,506 0.983,507 0.871,508 1.035,509 0.797,510 0.93,511 0.61,512 0.871,513 0.99,514 1.116,515 0.83,516 0.944,517 0.866,518 0.872,519 1.186,520 1.173,521 1.028,522 1.085,523 1.259,524 1.037,525 1.347,526 1.102,527 1.061,528 0.998,529 1.475,530 0.978,531 0.737,532 1.099,533 0.956,534 1.093,535 0.76,536 1.06,537 1.351,538 1.134,539 1.253,540 1.16,541 1.32,542 1.184,543 1.289,544 0.962,545 1.271,546 1.077,547 1.351,548 1.156,549 4.5,550 0.033,551 3.333,552 2.875,553 2.756,554 1.903,555 1.138,556 0.653,557 0.242,558 0.121,559 8462,560 19912,561 2.07,562 48.2,563 7,564 9,567 3,568 5,569 3,572 1.734,573 1.912,574 3.002,575 0.857,577 1,582 83.278,583 1.487,584 3.75,585 4.981,586 5.231,587 5.338,588 5.338,589 2.43,590 4.582,591 4.829,592 3.148,593 1278.21,594 8.49,595 16300.1,597 1,599 1,600 325.212,601 1.487,602 4.777,603 0.141,604 0.007,605 0.072,606 0.052,607 0.047,608 0.032,609 0.019,610 0.015,611 0.009,612 0.008,613 0.401,614 0.33,615 1,616 1.206,617 141.094,618 -0.067,619 -0.022,620 0.042,621 0.014,622 -0.114,623 0.043,624 0.1,625 0.047,626 0.149,627 0.127,628 0.136,629 0.139,630 -0.058,631 -0.027,632 0.122,633 0.082,634 -0.052,635 0.122,636 -0.011,637 -0.049,638 -0.052,639 -0.084,640 0.024,641 -0.079,642 -0.172,643 -0.023,644 -0.071,645 -0.02,646 -0.166,647 -0.024,648 0.342,649 -0.045,650 0.025,651 -0.108,652 0.326,653 -0.093,654 -0.196,655 -0.129,656 -0.258,657 -0.19,658 -0.183,659 -0.224,660 -0.197,661 -0.035,662 -0.265,663 -0.127,664 -0.244,665 -0.192,666 1.799,667 4.769,668 0.69,669 22.29,670 0.998,671 1.127,672 2.886,673 8.328,674 0.652,675 3.497,676 3.85,677 4.22,678 4.585,679 4.905,680 5.094,681 5.257,682 5.429,683 5.545,684 5.541,685 5.24,686 0.617,687 393.53,688 3.497,689 5.056,690 5.948,691 6.868,692 7.787,693 8.721,694 9.65,695 10.59,696 11.524,697 12.466,698 5.4,702 1,707 1,708 1,715 4,716 1,720 7,722 12,733 1,739 1,741 56,743 14,744 1,745 32,747 59,748 23,749 11,750 2,751 4,752 3,756 4,757 7,763 2,767 4,768 1,770 4,772 14,773 9,774 1,777 2,785 1,786 3,790 1,793 27,794 6,795 3,796 6,802 3,808 0.5,809 3,822 1,829 4,833 2,839 1,850 1,857 1,858 1,859 2,864 3,868 29,869 1,875 1,876 5,878 2,880 1,893 5.4,895 1,897 1,898 1,901 15.167,902 10.933,903 6.528,904 3.604,907 2.973,908 1.375,909 0.965,910 5.616,911 10.905,912 3.714,913 4.331,914 4.952,915 5.57,916 6.173,917 6.568,918 6.998,919 7.424,920 7.78,921 7.989,922 0.833,923 55,924 10.776,926 4.622,927 0.026,929 7.655,931 20.776,933 17.333,936 2.155,937 62.5,939 1,940 1,941 282.506,942 110.773,943 66.468,945 64.683,948 110.773,949 347.19,950 66.468,951 28.533,952 14.731,953 70.802,954 73.226,955 52.304,956 2.328,957 282.506,959 282.506,960 177.241,961 64.683,964 247.193,965 88.997,966 11,968 51.923,969 108.532,970 16.786,972 282.506,973 131.151,974 110.773,977 282.506,978 44.334,979 66.438,981 131.151,982 282.506,983 131.151,984 110.773,986 0.576,987 0.363,988 0.22,989 0.127,990 23,991 11,992 0.068,993 4,994 2,995 1.2,996 3.708,997 282.721,998 0.2,999 20,1000 140.881,1005 19.931,1006 8.172,1007 3.428,1009 131.151,1010 7.778,1011 4.883,1015 5.947,1017 75.581,1018 524.43,1019 40,1027 4.718,1028 1.141,1031 55.891,1032 63.106,1034 0.256,1035 0.646,1036 0.858,1037 0.901,1038 0.919,1039 0.919,1040 4.984,1041 1.493,1042 5.953,1043 5.044,1044 4.533,1045 5.017,1046 2.318,1047 6.86,1048 4.477,1049 6.206,1050 1.416,1051 7.568,1052 3.42,1053 4.205,1054 4.924,1055 1.06,1056 7.958,1057 4.141,1058 7.544,1059 1.199,1060 9.29,1061 3.077,1062 6.201,1063 7.242,1064 2.502,1065 11.153,1066 6.108,1067 8.922,1068 1,1069 11.075,1070 2.928,1071 6.723,1072 7.964,1073 1.679,1074 13.093,1075 6.623,1076 10.335,1077 0.844,1078 12.9,1079 2.361,1080 8.196,1081 9.772,1082 2.812,1083 15.826,1084 8.078,1085 11.771,1086 0.48,1087 14.753,1088 1.587,1089 9.102,1090 10.865,1091 2.248,1092 18.111,1093 8.975,1094 13.226,1095 0.09,1096 16.627,1097 0.752,1098 10.387,1099 12.469,1100 3.209,1101 20.699,1102 10.245,1103 3.424,1104 -0.101,1105 18.515,1106 0.233,1107 11.463,1108 13.741,1109 2.825,1110 23.129,1111 11.311,1112 3.01,1113 12.797,1114 20.415,1115 -0.258,1116 12.686,1117 15.258,1118 3.664,1119 25.674,1120 12.52,1121 2.745,1122 10.484,1123 22.325,1124 4.388,1125 13.836,1126 16.62,1127 3.415,1128 28.167,1129 13.658,1130 2.424,1131 9.073,1132 24.243,1133 3.919,1134 15.043,1135 18.1,1136 4.159,1137 30.703,1138 14.852,1139 2.168,1140 8.275,1141 26.168,1142 3.674,1143 16.226,1144 19.509,1145 4.015,1146 33.223,1147 16.023,1148 1.85,1149 6.659,1150 28.099,1151 3.093,1152 17.433,1153 20.975,1154 4.682,1155 35.76,1156 17.217,1157 1.79,1158 5.347,1159 30.035,1160 2.812,1161 18.633,1162 22.409,1163 4.622,1164 38.293,1165 18.404,1166 8275,1167 12821,1168 21.096,1169 36.517,1170 48.264,1171 48.801,1172 51.388,1173 47.804,1174 47.864,1175 60.01,1176 8.844,1177 144.073,1178 46.368,1179 5.674,1180 5.812,1181 6.993,1182 5.463,1183 5.424,1184 7.388,1185 2.576,1186 20.503,1187 5.375,1188 14.987,1189 1.508,1190 1.525,1191 1.606,1192 1.494,1193 1.496,1194 1.875,1195 0.276,1196 4.502,1197 1.449,1198 4.092,1199 4.12,1200 4.056,1201 4.01,1202 6.473,1203 4.017,1204 3.883,1205 3.912,1206 3.82,1207 3.805,1208 5.124,1209 3.804,1210 3.723,1211 3.757,1212 3.65,1213 3.606,1214 4.865,1215 3.61,1216 3.518,1217 3.576,1218 3.379,1219 3.324,1220 4.773,1221 3.327,1222 3.381,1223 3.454,1224 3.224,1225 3.223,1226 4.521,1227 3.21,1228 3.249,1229 3.315,1230 3.065,1231 3.009,1232 4.386,1233 3.009,1234 3.182,1235 3.245,1236 3.051,1237 2.965,1238 4.361,1239 2.974,1240 3.104,1241 3.194,1242 2.913,1243 2.924,1244 3.971,1245 2.907,1246 0.148,1247 0.119,1248 0.226,1249 0.138,1250 0.107,1251 4.729,1252 0.137,1253 3.812,1254 0.043,1255 7.224,1256 0.4,1257 4.409,1258 0.105,1259 3.424,1260 4.388,1261 1.36,1262 12.797,1263 3.375,1264 2.032,1265 2.008,1266 2.12,1267 2.133,1268 1.427,1269 2.129,1270 1.877,1271 1.848,1272 2.014,1273 1.981,1274 1.26,1275 1.992,1276 1.696,1277 1.662,1278 1.851,1279 1.849,1280 0.964,1281 1.851,1282 1.482,1283 1.421,1284 1.789,1285 1.723,1286 0.93,1287 1.745,1288 1.381,1289 1.317,1290 1.619,1291 1.576,1292 0.773,1293 1.595,1294 1.198,1295 1.126,1296 1.573,1297 1.513,1298 0.722,1299 1.533,1300 1.153,1301 1.09,1302 1.453,1303 1.38,1304 0.575,1305 1.389,1306 1.117,1307 1.033,1308 1.387,1309 1.354,1310 0.565,1311 1.383,1312 4.174,1314 5.517,1316 7.089,1318 8.775,1320 10.524,1322 5.349,1326 6.731,1327 10.769,1328 4.415,1330 11.14,1332 -0.37,1340 34.53,1341 83.278,1342 210.018,1343 278.947,1344 292.947,1345 298.947,1346 298.947,1347 55.023,1348 7.932,1349 89.96,1350 89.96,1351 24,1352 12.962,1353 3.907,1354 3.17,1355 43.991,1356 86,1357 105,1358 0.246,1359 210.773,1360 373.47,1361 506.047,1362 28325,1364 20.543,1365 0.708,1366 0.592,1367 20.543,1368 17.158,1369 14.062,1370 0.439,1371 0.316,1372 9.989,1373 13.536,1374 9.679,1375 8.035,1376 14.062,1377 10.119,1378 12.391,1379 0.269,1380 0.161,1381 12.391,1382 7.419,1383 11.008,1384 0.164,1385 0.086,1386 11.008,1387 5.738,1388 10.08,1389 0.104,1390 0.046,1391 10.08,1392 4.425,1393 8.358,1394 0.062,1395 0.024,1396 8.358,1397 3.278,1398 0.362,1399 88.079,1400 0.218,1401 26.28,1402 0.763,1403 156,1404 424.223,1405 169.936,1406 407.105,1407 569.58,1408 384,1409 191,1410 430.509,1411 204.635,1412 435.562,1413 648.12,1414 411,1415 6.631}
{0 CHEMBL436367,1 1.437,2 5.667,3 2.507,4 6.284,5 60.347,6 6.59,7 0.353,8 3.541,9 3.672,10 3.022,11 3.072,12 4.473,13 3.034,14 4.143,15 4.329,16 3.391,17 3.511,18 5.005,19 3.436,20 4.417,21 4.659,22 3.463,23 3.628,24 5.23,25 3.529,26 4.366,27 4.614,28 3.28,29 3.491,30 5.302,31 3.38,32 4.236,33 4.498,34 2.894,35 3.3,36 5.047,37 3.149,38 4.048,39 4.336,40 2.365,41 3.048,42 4.671,43 2.819,44 3.82,45 4.175,46 1.624,47 2.67,48 4.197,49 2.333,50 3.269,51 3.685,52 0.596,53 1.938,54 3.497,55 1.503,56 0.035,57 0.457,58 7.497,59 3.027,60 4.427,61 4.252,62 0.137,63 0.754,64 14.169,65 5.487,66 10.288,67 7.79,68 0.137,69 0.934,70 18.966,71 6.543,72 12.714,73 9.825,74 0.276,75 0.877,76 18.476,77 5.384,78 27.276,79 8.459,80 0.217,81 0.714,82 16.256,83 4.827,84 19.895,85 7.429,86 0.154,87 0.537,88 13.301,89 4.597,90 13.07,91 6.763,92 0.1,93 0.38,94 10.51,95 3.816,96 7.366,97 5.733,98 0.052,99 0.192,100 5.995,101 2.076,102 4.415,103 3.274,104 2,105 24,106 0.278,107 0.541,108 0.715,109 0.809,110 0.858,111 0.858,112 2.799,113 1.022,114 -3.59,115 -3.56,116 -3.39,121 38.7,123 6,127 1,145 2,146 1,148 1,149 1,165 1,166 1,167 1,176 6,179 1,180 5,185 2,187 6,189 2,192 4,197 2,200 4,203 2,206 4,208 2,209 2,211 3,214 4,216 3,219 2,224 1,227 4,229 1,232 1,239 3,251 1,281 142,282 10.414,283 10.414,284 10.414,285 10.414,286 10.414,287 9.609,288 12.752,289 6.183,290 10.612,291 8.4,292 8.4,293 8.4,294 8.4,295 8.4,296 7.069,297 11.408,298 2.924,299 8.737,300 3.517,301 2.155,302 1.259,303 0.774,304 0.516,305 0.516,306 3.476,311 1,312 1,313 189,314 1.581,318 70.902,322 78.581,325 0.889,326 11.793,329 1,330 0.83,331 1,332 1,333 0.5,334 1,335 1,336 0.9,337 32,338 85,339 4.556,340 3.427,341 6.769,342 4.176,343 3.203,344 4.275,345 0.86,346 11.036,347 3.116,348 3.796,349 2.873,350 5.982,351 3.503,352 2.532,353 3.141,355 8.37,356 2.458,357 3.396,358 2.398,359 5.279,360 3.02,361 2.087,362 2.673,364 6.329,365 1.938,366 2.567,367 1.811,368 4.116,369 2.497,370 1.518,371 1.568,373 3.329,374 1.484,375 2.426,376 1.621,377 3.757,378 2.326,379 1.347,380 1.423,382 3.225,383 1.314,384 2.313,385 1.431,386 3.594,387 2.196,388 1.247,389 1.303,391 2.902,392 1.174,393 1.817,394 1.116,395 3.39,396 1.71,397 0.764,398 0.793,400 1.804,401 0.718,402 1.227,403 0.221,404 2.843,405 0.933,411 0.758,412 -0.204,413 2.404,414 0.507,415 -0.445,416 -0.5,418 -1.091,419 -0.419,420 0.235,421 -0.548,422 2,423 0.126,424 -0.84,425 -0.885,427 -1.977,428 -0.791,429 0.228,430 -0.652,431 2,432 0.085,433 -0.879,434 -0.955,436 -2.123,437 -0.86,439 -0.907,440 1.541,441 -0.25,442 -1.205,443 -1.358,445 -3.218,446 -1.143,447 -0.359,448 -1.361,449 1.455,450 -0.564,451 -1.528,452 -1.815,454 -4.317,455 -1.466,456 -0.5,457 -1.556,458 1.184,459 -0.841,460 -1.802,461 -2.109,463 -5.194,464 -1.677,465 -0.571,466 -1.696,467 1.048,468 -1,469 -2,470 -2.252,472 -5.661,473 -1.9,474 7.133,475 0.476,476 0.312,477 0.021,478 16.75,479 1.117,480 7,481 0.467,482 9.75,483 0.65,484 12.373,485 0.825,486 16.867,487 0.544,488 8.285,489 0.552,490 2.721,491 0.181,492 4.64,493 0.309,494 0.056,496 0.35,501 0.939,502 1.221,503 0.899,504 1.109,505 1.039,506 1.009,507 0.879,508 1.168,509 0.898,510 1.096,511 0.665,512 1.024,513 0.912,514 1.201,515 0.859,516 1.039,517 0.854,518 0.958,519 1.25,520 1.08,521 1.189,522 1.047,523 1.471,524 1.086,525 1.604,526 0.956,527 1.336,528 1.022,529 1.783,530 1.117,531 1.216,532 0.926,533 1.227,534 1.096,535 1.146,536 1.163,537 0.543,538 0.755,539 0.855,540 0.9,541 0.33,542 0.927,543 0.069,544 0.518,545 0.494,546 0.617,547 0.065,548 0.613,549 2,551 1.778,552 1.188,553 1.08,554 0.236,555 0.078,559 1569,560 2988,561 2.186,562 51.6,563 8,564 2,567 2,568 2,569 2,572 1.537,573 2.093,574 2.568,575 0.431,579 1,582 44.561,583 1.437,584 2.799,585 3.696,586 4.18,587 4.438,588 4.438,589 1.933,590 3.107,591 3.886,592 2.554,593 268.133,594 6.537,595 2131.14,597 1,600 153.58,601 1.231,602 3.859,603 0.118,605 0.074,606 0.047,607 0.057,608 0.02,609 0.013,613 0.329,614 1,615 1,616 0.521,617 56.365,618 -0.05,619 0.033,620 0.062,621 0.043,622 -0.043,623 0.068,624 0.109,625 -0.075,626 0.067,627 -0.009,628 0.13,629 0.015,630 0.013,631 -0.189,632 0.108,633 -0.04,634 0.034,635 0.031,636 -0.034,637 -0.01,638 -0.182,639 -0.135,640 -0.05,641 -0.169,642 -0.303,643 0.042,644 -0.331,645 -0.116,646 -0.385,647 -0.205,648 -0.178,649 -0.06,650 -0.268,651 -0.151,652 -0.195,653 -0.212,654 0.049,655 -0.031,656 0.059,657 0.021,658 0.113,659 0.034,660 0.235,661 0.102,662 0.402,663 0.243,664 0.276,665 0.328,666 0.862,667 2.205,668 0.933,669 6.373,670 0.991,671 1.133,672 2.357,673 5.556,674 0.639,675 2.89,676 3.219,677 3.555,678 3.85,679 4.111,680 4.111,681 4.174,682 4.205,683 4.205,684 3.807,685 3.459,686 0.595,687 204.3,688 2.89,689 4.419,690 5.293,691 6.184,692 7.076,693 7.974,694 8.871,695 9.771,696 10.669,697 11.57,698 6.5,702 1,708 1,716 1,720 5,722 6,733 1,739 1,741 31,743 6,745 17,747 33,748 12,749 5,756 3,757 6,767 6,770 6,772 5,773 7,790 1,793 16,794 3,795 2,796 3,802 2,808 0.333,809 1,822 1,829 3,833 2,859 1,868 15,869 1,876 7,878 1,893 3.2,898 1,901 7.167,902 5.45,903 3.278,904 2.183,907 1.287,908 1.202,909 1.016,910 2.224,911 7.659,912 3.045,913 3.624,914 4.216,915 4.763,916 5.274,917 5.467,918 5.597,919 5.691,920 5.756,921 5.202,922 0.75,923 25,924 5.587,925 -0.001,926 2.416,927 0.026,929 7.456,931 11.2,933 9.763,936 1.956,937 29.333,938 0.01,941 164.795,942 36.499,943 49.683,945 11,948 36.499,949 175.795,950 49.683,952 19.8,953 32.897,954 16.786,955 22.885,956 4.815,957 164.795,959 164.795,960 86.182,961 11,964 141.253,965 34.542,968 22.556,969 46.84,970 16.786,972 164.795,973 60.683,974 36.499,977 164.795,978 36.499,981 60.683,982 164.795,983 60.683,984 36.499,986 0.58,987 0.358,988 0.208,989 0.115,990 14,991 5,994 2,995 1.286,996 2.744,997 106.595,998 0.286,999 14,1000 58.603,1005 9.314,1006 3.582,1007 1.467,1009 60.683,1011 4.612,1015 5.403,1017 32.897,1018 261.977,1019 20,1031 30.716,1032 35.112,1034 0.29,1035 0.565,1036 0.746,1037 0.844,1038 0.896,1039 0.896,1040 4.297,1042 5.273,1043 1.804,1044 3.892,1045 4.304,1046 0.908,1047 6.12,1048 3.819,1049 5.478,1050 -0.445,1051 6.849,1053 3.434,1054 4.227,1056 7.091,1057 3.336,1058 6.796,1059 -0.84,1060 8.534,1061 -1.091,1062 5.501,1063 6.503,1064 0.739,1065 10.251,1066 5.368,1067 8.157,1068 -0.879,1069 10.285,1070 -1.977,1071 5.916,1072 7.285,1074 12.062,1075 5.762,1076 9.558,1077 -1.205,1078 12.078,1079 -2.123,1080 7.434,1081 9.06,1082 0.593,1083 14.733,1084 7.251,1085 10.984,1086 -1.528,1087 13.897,1088 -3.218,1089 8.26,1090 10.206,1092 16.874,1093 8.054,1094 12.431,1095 -1.802,1096 15.736,1097 -4.317,1098 9.554,1099 11.793,1100 0.469,1101 19.377,1102 9.322,1103 3.203,1104 -2,1105 17.588,1106 -5.194,1107 10.567,1108 13.102,1110 21.66,1111 10.31,1112 2.532,1113 11.036,1114 19.45,1115 -5.661,1116 11.774,1117 14.614,1118 0.366,1119 24.1,1120 11.491,1121 2.087,1122 8.37,1123 21.32,1124 4.275,1125 12.87,1126 15.998,1128 26.445,1129 12.561,1130 1.518,1131 6.329,1132 23.196,1133 3.141,1134 14.045,1135 17.477,1136 0.283,1137 28.861,1138 13.71,1139 1.347,1140 3.329,1141 25.077,1142 2.673,1143 15.178,1144 18.897,1146 31.236,1147 14.815,1148 1.247,1149 3.225,1150 26.963,1151 1.568,1152 16.343,1153 20.362,1154 0.217,1155 33.642,1156 15.953,1157 0.764,1158 2.902,1159 28.852,1160 1.423,1161 17.491,1162 21.798,1164 36.03,1165 17.075,1166 1532,1167 2190,1168 11.731,1169 19.796,1170 25.373,1171 25.928,1172 26.284,1173 25.431,1174 25.399,1175 30.351,1176 1.72,1177 73.989,1178 24.405,1179 5.506,1180 5.427,1181 6.454,1182 5.263,1183 5.203,1184 7.275,1185 1.72,1186 18.567,1187 5.116,1188 3.991,1189 1.493,1190 1.525,1191 1.546,1192 1.496,1193 1.494,1194 1.785,1195 0.101,1196 4.352,1197 1.436,1198 4.032,1199 4.066,1200 3.981,1201 3.931,1202 5.121,1203 3.938,1204 3.686,1205 3.739,1206 3.546,1207 3.556,1208 4.78,1209 3.546,1210 3.34,1211 3.415,1212 3.181,1213 3.183,1214 4.334,1215 3.172,1216 3.137,1217 3.22,1218 2.999,1219 2.943,1220 3.916,1221 2.938,1222 2.911,1223 3.003,1224 2.696,1225 2.666,1226 3.725,1227 2.658,1228 2.782,1229 2.911,1230 2.555,1231 2.525,1232 3.46,1233 2.538,1234 2.68,1235 2.742,1236 2.502,1237 2.402,1238 3.211,1239 2.409,1240 2.104,1241 2.253,1242 1.822,1243 1.758,1244 3.006,1245 1.744,1246 0.268,1247 0.202,1248 0.398,1249 0.246,1250 0.188,1251 4.556,1252 0.251,1253 3.427,1254 0.051,1255 6.769,1256 0.649,1257 4.176,1258 0.183,1259 3.203,1260 4.275,1261 0.86,1262 11.036,1263 3.116,1264 1.983,1265 1.952,1266 2.109,1267 2.108,1268 1.425,1269 2.108,1270 1.69,1271 1.639,1272 1.923,1273 1.859,1274 1.249,1275 1.883,1276 1.334,1277 1.268,1278 1.565,1279 1.543,1280 0.796,1281 1.558,1282 1.127,1283 1.047,1284 1.449,1285 1.361,1286 0.727,1287 1.389,1288 0.876,1289 0.795,1290 1.233,1291 1.187,1292 0.469,1293 1.198,1294 0.729,1295 0.624,1296 1.125,1297 1.119,1298 0.175,1299 1.146,1300 0.658,1301 0.568,1302 0.961,1303 0.901,1305 0.93,1306 0.117,1308 0.689,1309 0.512,1311 0.581,1312 3.555,1314 4.875,1316 6.435,1318 8.104,1320 9.827,1326 6.205,1328 7.533,1330 5.579,1340 18.445,1341 44.561,1342 86.767,1343 114.561,1344 129.58,1345 137.58,1346 137.58,1347 16.936,1348 6.372,1349 48.14,1350 48.14,1351 18,1352 12.092,1353 2.807,1354 2,1355 19.787,1356 34,1357 20,1358 0.336,1359 112.501,1360 191.05,1361 266.262,1362 4073,1364 10.251,1365 0.683,1366 0.592,1367 10.251,1368 8.883,1369 7.36,1370 0.433,1371 0.341,1372 5.731,1373 7.137,1374 5.635,1375 4.617,1376 7.36,1377 5.789,1378 6.512,1379 0.271,1380 0.183,1381 6.512,1382 4.394,1383 5.892,1384 0.173,1385 0.1,1386 5.892,1387 3.393,1388 5.149,1389 0.112,1390 0.056,1391 5.149,1392 2.569,1393 4.302,1394 0.072,1395 0.032,1396 4.302,1397 1.937,1398 0.482,1399 45.766,1400 0.292,1401 14.609,1402 1.061,1403 82,1404 194.693,1405 88.734,1406 187.307,1407 266.43,1408 178,1409 99,1410 205.117,1411 106.152,1412 205.745,1413 308.06,1414 196,1415 6.342}
{0 CHEMBL437373,1 1.689,2 7.4,3 3.546,4 12.571,5 63.462,6 10.151,7 0.571,8 3.476,9 3.542,10 3.246,11 3.045,12 4.946,13 3.093,14 3.938,15 4.022,16 3.647,17 3.376,18 5.554,19 3.44,20 4.252,21 4.386,22 3.723,23 3.426,24 5.938,25 3.5,26 4.202,27 4.348,28 3.722,29 3.253,30 6.077,31 3.357,32 4.119,33 4.256,34 3.587,35 3.115,36 6.131,37 3.227,38 3.932,39 4.074,40 3.414,41 3.013,42 5.981,43 3.083,44 3.727,45 3.913,46 3.14,47 2.844,48 5.346,49 2.902,50 3.584,51 3.772,52 2.965,53 2.46,54 5.308,55 2.618,56 0.322,57 0.669,58 2.162,59 2.822,60 64.529,61 2.168,62 0.558,63 1.064,64 3.784,65 4.491,66 105.251,67 3.514,68 1.115,69 1.242,70 9.872,71 5.966,72 216.561,73 4.516,74 1.17,75 1.278,76 11.332,77 5.493,78 229.52,79 4.817,80 1.282,81 0.88,82 11.28,83 4.804,84 256.187,85 3.578,86 1.035,87 0.801,88 8.654,89 4.147,90 198.134,91 3.425,92 0.63,93 0.828,94 7.739,95 3.693,96 112.66,97 3.517,98 0.729,99 0.819,100 7.017,101 3.079,102 139.1,103 1.973,104 37,105 30,106 0.327,107 0.605,108 0.671,109 0.764,110 0.806,111 0.819,112 3.058,113 0.787,114 -5.24,115 -5.13,116 -4.8,121 50,129 1,144 6,145 2,146 4,159 1,176 4,180 1,185 1,187 6,192 3,195 1,197 3,200 3,206 2,211 2,214 4,219 1,224 1,227 4,232 1,237 1,239 2,251 4,277 1,281 464,282 12.671,283 12.671,284 12.671,285 12.671,286 12.671,287 11.026,288 12.885,289 7.299,290 12.922,291 10.335,292 10.335,293 10.335,294 10.335,295 10.335,296 7.785,297 12.49,298 3.492,299 10.808,300 3.118,301 1.679,302 1.34,303 0.857,304 0.643,305 0.571,306 3.705,311 1,312 1,313 302,314 3,318 138.906,325 1.2,326 57.133,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 48,338 148,339 4.382,340 3.838,341 6.549,342 4.079,343 3.084,344 3.963,345 1.848,346 10.154,347 3.067,348 4.162,349 3.154,350 5.864,351 3.729,352 2.763,353 3.814,354 0.443,355 8.279,356 2.663,357 3.796,358 3.052,359 5.369,360 3.402,361 2.452,362 3.144,364 6.91,365 2.305,366 3.338,367 2.622,368 5.07,369 2.965,370 2,371 2.594,373 5.892,374 1.907,375 3.232,376 2.592,377 4.618,378 2.787,379 1.879,380 2.481,382 4.963,383 1.678,384 3.232,385 2.592,386 4.618,387 2.787,388 1.879,389 2.481,391 4.963,392 1.678,393 2.707,394 1.785,395 4.32,396 2.249,397 1.257,398 1.732,400 3.629,401 1.236,402 1.878,403 1.365,404 3.282,405 1.437,406 0.437,407 0.58,409 1.052,410 0.426,411 1,412 0.245,413 2.522,414 0.557,415 -0.347,416 -0.445,418 -0.891,419 -0.303,420 1,421 0.243,422 2.382,423 0.557,424 -0.347,425 -0.445,427 -0.891,428 -0.303,429 0.899,430 0.159,431 2.382,432 0.449,433 -0.471,434 -0.586,436 -1.182,437 -0.404,438 0.849,439 0.159,440 2.149,441 0.422,442 -0.483,443 -0.599,445 -1.191,446 -0.412,447 0.263,448 -0.21,449 1.829,450 -0.082,451 -1,452 -1.123,454 -2.55,455 -0.867,456 0.16,457 -0.485,458 1.472,459 -0.15,460 -1,461 -1.268,463 -2.606,464 -0.925,465 -0.109,466 -0.826,467 1.258,468 -0.408,469 -1.378,470 -1.732,472 -3.744,473 -1.351,474 8.81,475 0.44,476 0.723,477 0.036,478 25.5,479 1.275,480 13.5,481 0.675,482 12,483 0.6,484 12.978,485 0.649,486 22.39,487 0.8,488 20.834,489 1.042,490 5.585,491 0.279,492 3.779,493 0.189,494 0.205,496 0.454,499 4,501 0.611,502 0.754,503 0.55,504 0.863,505 0.64,506 0.779,507 0.725,508 0.964,509 0.666,510 1.128,511 0.694,512 1.018,513 1.106,514 1.014,515 1.177,516 1.085,517 1.123,518 1.132,519 0.834,520 0.827,521 0.784,522 1.061,523 0.865,524 0.993,525 1.074,526 0.857,527 1.142,528 0.835,529 1.104,530 0.927,531 0.85,532 0.9,533 1.058,534 0.897,535 0.853,536 1.044,537 0.992,538 1.155,539 0.936,540 1.046,541 0.933,542 1.004,543 1.906,544 1.741,545 1.673,546 1.144,547 1.898,548 1.088,549 6,551 2.222,552 2.125,553 1.467,554 0.583,555 0.408,556 0.174,557 0.215,558 0.063,559 3265,560 16798,561 1.911,562 28.6,564 7,567 1,572 1.621,573 1.714,574 2.945,575 -0.222,577 1,579 1,582 47.303,583 1.689,584 3.128,585 3.468,586 3.95,587 4.164,588 4.236,589 2.246,590 2.722,591 4.298,592 3.079,593 584.988,594 7.357,595 5973.59,597 1,599 1,600 134.606,601 1.571,602 4.201,603 0.286,605 0.074,606 0.071,607 0.052,608 0.024,609 0.02,610 0.011,611 0.018,612 0.007,613 0.563,614 0.83,615 1,616 0.737,617 87.605,618 -0.039,619 0.034,620 -0.029,621 0.092,622 -0.068,623 0.072,624 -0.062,625 -0.137,626 -0.039,627 -0.179,628 -0.027,629 -0.144,630 -0.202,631 -0.083,632 -0.289,633 -0.129,634 -0.21,635 -0.198,636 0.055,637 -0.054,638 0.229,639 -0.135,640 0.05,641 0.021,642 -0.012,643 0.042,644 -0.107,645 0.102,646 -0.022,647 0.014,648 0.149,649 0.033,650 -0.053,651 0.058,652 0.143,653 -0.076,654 -0.115,655 -0.247,656 0.141,657 -0.072,658 -0.071,659 0.102,660 -0.528,661 -0.275,662 -0.487,663 -0.105,664 -0.563,665 -0.139,666 3.249,667 5,668 0.6,669 12.4,670 1.072,671 1.152,672 4.011,673 16.091,674 0.687,675 3.091,676 3.434,677 3.611,678 3.85,679 3.97,680 3.932,681 3.807,682 3.714,683 3.714,684 3.497,685 4.845,686 0.719,687 284.22,688 3.091,689 4.635,690 5.46,691 6.34,692 7.182,693 8.063,694 8.911,695 9.791,696 10.643,697 11.522,715 6,720 6,722 12,727 1,740 4,741 28,743 13,744 2,745 21,747 29,748 14,749 12,750 6,751 6,752 1,756 2,757 2,770 1,772 13,773 1,777 1,782 1,786 1,790 1,791 4,793 8,794 6,795 1,796 6,808 1,809 2,811 1,829 2,857 1,859 2,866 4,868 20,875 1,880 1,892 4,893 7.1,894 1,896 1,901 11.667,902 5.021,903 4.333,904 1.48,907 2.131,908 1.345,909 0.924,910 3.87,911 8.304,912 3.367,913 3.989,914 4.494,915 5.032,916 5.483,917 5.547,918 5.583,919 5.668,920 5.915,921 6.124,922 0.8,923 30,924 7.608,926 3.606,927 0.026,929 9,931 12.731,933 10.256,936 3.5,937 70,941 82.398,942 104.846,945 67.828,946 59.84,948 104.846,949 150.226,950 59.84,953 99.541,954 30.278,955 42.855,956 59.84,957 82.398,959 82.398,960 104.846,961 127.669,964 142.238,965 25.145,966 42.683,969 104.846,972 142.238,973 67.828,974 104.846,977 82.398,978 47.989,979 56.857,981 127.669,982 82.398,983 127.669,984 104.846,986 0.594,987 0.332,988 0.179,989 0.093,990 14,991 8,992 0.103,993 3,995 1,996 3.066,997 145.381,999 12,1000 74.439,1005 14.232,1006 5.438,1007 3.242,1009 127.669,1010 4.116,1015 -4.705,1017 42.683,1018 314.913,1019 28,1024 11.844,1028 -1.062,1031 30.007,1032 32.269,1034 0.351,1035 0.651,1036 0.721,1037 0.822,1038 0.866,1039 0.881,1040 4.605,1041 0.437,1042 5.485,1043 3.629,1044 4.111,1045 4.673,1046 2.019,1047 6.286,1048 4.029,1049 5.845,1050 -0.347,1051 7.05,1052 1.052,1053 3.892,1054 4.605,1055 1.22,1056 7.13,1057 3.733,1058 7.162,1059 -0.347,1060 8.706,1061 -0.891,1062 5.707,1063 6.856,1064 2.917,1065 10.211,1066 5.583,1067 8.506,1068 -0.471,1069 10.411,1070 -0.891,1071 6.176,1072 7.45,1073 2.638,1074 11.8,1075 6.004,1076 9.872,1077 -0.483,1078 12.147,1079 -1.182,1080 7.561,1081 9.271,1082 3.984,1083 14.443,1084 7.416,1085 11.253,1086 -1,1087 13.905,1088 -1.191,1089 8.356,1090 10.197,1091 4.007,1092 16.394,1093 8.187,1094 12.649,1095 -1,1096 15.682,1097 -2.55,1098 9.569,1099 11.816,1100 5.117,1101 18.853,1102 9.416,1103 3.084,1104 -1.378,1105 17.473,1106 -2.606,1107 10.525,1108 12.926,1109 5.332,1110 20.986,1111 10.36,1112 2.763,1113 10.154,1114 19.278,1115 -3.744,1116 11.669,1117 14.437,1118 6.282,1119 23.363,1120 11.512,1121 2.452,1122 8.279,1123 21.093,1124 3.963,1125 12.702,1126 15.653,1127 6.624,1128 25.585,1129 12.541,1130 2,1131 6.91,1132 22.918,1133 3.814,1134 13.82,1135 17.102,1136 7.467,1137 27.926,1138 13.663,1139 1.879,1140 5.892,1141 24.75,1142 3.144,1143 14.892,1144 18.378,1145 7.895,1146 30.194,1147 14.732,1148 1.879,1149 4.963,1150 26.589,1151 2.594,1152 16.001,1153 19.792,1154 8.665,1155 32.519,1156 15.844,1157 1.257,1158 4.963,1159 28.433,1160 2.481,1161 17.093,1162 21.105,1163 9.152,1164 34.81,1165 16.934,1166 3381,1167 7737,1168 12.948,1169 19.227,1170 32.121,1171 33.878,1172 33.667,1173 31.783,1174 31.501,1175 41.581,1176 4.582,1177 91.68,1178 29.924,1179 5.212,1180 5.838,1181 5.549,1182 5.079,1183 5.084,1184 6.963,1185 3.376,1186 17.37,1187 5.067,1188 12.894,1189 1.53,1190 1.613,1191 1.603,1192 1.513,1193 1.5,1194 1.98,1195 0.218,1196 4.366,1197 1.425,1198 3.993,1199 4.009,1200 3.96,1201 3.907,1202 8.215,1203 3.915,1204 3.876,1205 3.899,1206 3.844,1207 3.793,1208 8.208,1209 3.799,1210 3.417,1211 3.426,1212 3.376,1213 3.224,1214 8.191,1215 3.254,1216 2.937,1217 2.985,1218 2.913,1219 2.753,1220 8.191,1221 2.763,1222 2.937,1223 2.985,1224 2.913,1225 2.73,1226 7.428,1227 2.753,1228 2.911,1229 2.941,1230 2.846,1231 2.73,1232 6.444,1233 2.753,1234 2.593,1235 2.649,1236 2.46,1237 2.364,1238 4.478,1239 2.374,1240 2.39,1241 2.407,1242 2.25,1243 1.883,1244 4.43,1245 1.969,1246 0.209,1247 0.183,1248 0.312,1249 0.194,1250 0.147,1251 4.382,1252 0.189,1253 3.838,1254 0.088,1255 6.549,1256 0.484,1257 4.079,1258 0.146,1259 3.084,1260 3.963,1261 1.848,1262 10.154,1263 3.067,1264 1.933,1265 1.918,1266 2.007,1267 2.037,1268 1.144,1269 2.026,1270 1.842,1271 1.822,1272 1.922,1273 1.945,1274 1.016,1275 1.936,1276 1.307,1277 1.294,1278 1.433,1279 1.539,1280 0.539,1281 1.498,1282 0.85,1283 0.816,1284 1.052,1285 1.074,1286 0.127,1287 1.047,1288 0.832,1289 0.787,1290 1.035,1291 1.074,1292 0.072,1293 1.047,1294 0.832,1295 0.787,1296 1.035,1297 1.061,1298 0.072,1299 1.045,1300 0.537,1301 0.479,1302 0.875,1303 0.834,1305 0.844,1306 0.15,1307 0.12,1308 0.527,1309 0.66,1311 0.616,1312 3.761,1314 5.094,1316 6.605,1318 8.203,1320 9.844,1324 51.977,1327 9.745,1332 -1.915,1340 20.124,1341 47.303,1342 87.586,1343 97.096,1344 110.606,1345 116.606,1346 118.606,1347 80.675,1348 6.174,1349 37.3,1350 37.3,1351 12,1352 12.064,1353 3.807,1354 3,1355 36.281,1356 58,1357 44,1358 0.317,1359 122.57,1360 227.62,1361 290.831,1362 3037,1363 14.3,1364 14.861,1365 0.743,1366 0.495,1367 11.38,1368 9.909,1369 9.363,1370 0.446,1371 0.262,1372 5.377,1373 8.764,1374 5.339,1375 4.346,1376 7.788,1377 5.51,1378 9.073,1379 0.302,1380 0.138,1381 6.514,1382 4.128,1383 6.746,1384 0.187,1385 0.072,1386 5.616,1387 2.596,1388 5.736,1389 0.125,1390 0.038,1391 4.179,1392 1.738,1393 3.992,1394 0.077,1395 0.02,1396 3.131,1397 1.042,1398 0.48,1399 60.797,1400 0.278,1401 19.608,1402 0.915,1403 102,1404 604.33,1405 121.531,1406 472.609,1407 582.68,1408 432,1409 117,1410 378.242,1411 133.402,1412 357.7,1413 520.31,1414 335,1415 4}
{0 CHEMBL438324,1 1.733,2 13.25,3 5.549,4 30.789,5 97.045,6 8.05,7 0.4,8 4,9 4.103,10 3.611,11 3.477,12 5.158,13 3.492,14 4.584,15 4.744,16 4.052,17 3.845,18 6.18,19 3.844,20 4.819,21 5.026,22 4.01,23 3.955,24 5.957,25 3.926,26 4.885,27 5.112,28 3.917,29 3.849,30 6.168,31 3.825,32 4.698,33 4.924,34 3.765,35 3.753,36 5.888,37 3.718,38 4.564,39 4.76,40 3.66,41 3.713,42 5.817,43 3.647,44 4.489,45 4.714,46 3.521,47 3.679,48 5.547,49 3.574,50 4.426,51 4.654,52 3.549,53 3.561,54 5.574,55 3.497,56 0.17,57 0.883,58 8.719,59 4.841,60 25.631,61 5.49,62 1.073,63 1.7,64 20.035,65 7.852,66 149.054,67 9.512,68 0.691,69 1.517,70 27.139,71 9.848,72 60.431,73 12.667,74 1.257,75 1.527,76 32.85,77 9.421,78 138.989,79 11.778,80 0.924,81 1.2,82 26.601,83 8.184,84 106.864,85 10.499,86 0.952,87 0.987,88 21.805,89 7.588,90 91.469,91 9.792,92 0.587,93 1.032,94 20.134,95 7.982,96 55.143,97 10.635,98 0.41,99 1.098,100 18.745,101 7.38,102 34.968,103 9.534,104 27,105 42,106 0.296,107 0.579,108 0.697,109 0.774,110 0.807,111 0.821,112 3.373,113 0.909,114 -5.32,115 -5.2,116 -4.86,121 40.8,123 5,126 1,129 1,134 1,144 6,145 1,146 2,147 1,149 1,161 1,176 8,179 4,180 9,187 7,192 8,200 4,206 12,214 2,218 1,219 10,227 4,232 2,239 8,243 3,244 1,251 10,256 1,264 6,268 2,269 5,277 2,281 1186,282 18.333,283 18.333,284 18.333,285 18.333,286 18.333,287 16.794,288 21.468,289 10.766,290 18.982,291 14.792,292 14.792,293 14.792,294 14.792,295 14.792,296 12.439,297 25.908,298 5.133,299 15.936,300 3.881,301 2.221,302 1.53,303 1.082,304 0.888,305 0.806,306 4.052,311 1,312 1,313 782,314 4.062,318 326.532,325 2.25,326 46.712,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 64.5,338 371,339 4.44,340 4.46,341 7.111,342 4.168,343 3.314,344 3.846,345 3.825,346 11.657,347 2.856,348 4.132,349 3.801,350 6.339,351 3.887,352 2.95,353 3.656,354 2.208,355 9.428,356 2.758,357 3.994,358 3.074,359 5.624,360 3.639,361 2.707,362 3.221,363 0.86,364 7.804,365 2.529,366 3.782,367 2.788,368 5.405,369 3.382,370 2.462,371 3.104,372 0.655,373 7.125,374 2.234,375 3.442,376 2.595,377 5.068,378 3.125,379 2.168,380 2.677,381 0.13,382 6.097,383 2.06,384 3.202,385 2.313,386 4.868,387 2.894,388 1.936,389 2.27,391 5.349,392 1.831,393 2.9,394 1.91,395 4.554,396 2.475,397 1.564,398 2.011,400 4.598,401 1.404,402 2.521,403 1.73,404 3.773,405 2.399,406 1.411,407 1.5,409 3.139,410 1.365,411 2.5,412 1.047,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.5,421 1,422 3.414,423 2,424 1,425 1.498,427 2.275,428 1,429 2,430 1,431 3.288,432 1.959,433 1,434 1,436 2.136,437 0.956,438 1.77,439 1,440 3.247,441 1.62,442 0.674,443 0.713,445 1.641,446 0.629,447 1.538,448 0.889,449 3.014,450 1.154,451 0.237,452 0.29,454 0.591,455 0.214,456 1.127,457 0.51,458 2.67,459 0.711,460 -0.225,461 -0.285,463 -0.554,464 -0.207,465 0.699,466 0.51,467 2.465,468 0.261,469 -0.687,470 -0.75,472 -1.608,473 -0.637,474 12.657,475 0.452,476 0.846,477 0.03,478 32.75,479 1.17,480 14.5,481 0.518,482 18.25,483 0.652,484 23.712,485 0.847,486 32.343,487 0.66,488 26.451,489 0.945,490 6.368,491 0.227,492 6.958,493 0.248,494 0.134,495 0.04,496 0.269,498 3,501 0.624,502 1.103,503 0.664,504 1.24,505 0.567,506 1.045,507 0.444,508 0.772,509 0.72,510 1.042,511 0.327,512 1.009,513 0.732,514 0.921,515 0.807,516 1.118,517 0.48,518 1.029,519 1.145,520 0.792,521 1.067,522 0.868,523 1.012,524 0.92,525 0.933,526 0.694,527 0.922,528 0.794,529 0.942,530 0.835,531 0.628,532 0.573,533 0.971,534 0.928,535 0.671,536 1.059,537 0.403,538 0.689,539 0.799,540 1.033,541 0.43,542 1.09,543 0.601,544 1.049,545 0.735,546 1.217,547 0.522,548 1.095,549 7,550 0.173,551 3.333,552 1.813,553 1.356,554 0.833,555 0.544,556 0.358,557 0.254,558 0.202,559 10952,560 36547,561 2.005,562 42.9,563 6,564 10,566 1,569 4,572 1.702,573 1.856,574 3.665,575 -0.707,582 84.934,583 1.733,584 3.394,585 4.084,586 4.533,587 4.727,588 4.808,589 3.111,590 3.557,591 4.778,592 3.89,593 1470.25,594 8.263,595 20749.3,600 275.121,601 1.598,602 4.719,603 0.233,604 0.01,605 0.079,606 0.044,607 0.039,608 0.026,609 0.019,610 0.014,611 0.01,612 0.009,613 0.484,614 0.33,615 1,616 0.787,617 144.741,618 -0.03,619 -0.135,620 0.042,621 -0.116,622 -0.058,623 -0.035,624 0.408,625 0.242,626 0.143,627 -0.017,628 0.449,629 -0.042,630 -0.03,631 -0.176,632 0.089,633 -0.144,634 0.071,635 -0.021,636 -0.12,637 0.053,638 -0.048,639 0.045,640 -0.056,641 0.029,642 -0.087,643 0.023,644 0.045,645 0.132,646 -0.098,647 0.146,648 0.124,649 0.097,650 -0.071,651 0.039,652 0.008,653 -0.063,654 0.156,655 -0.018,656 0.079,657 -0.02,658 0.057,659 -0.018,660 0.061,661 -0.243,662 0.177,663 -0.198,664 0.093,665 -0.031,666 5.693,667 5.271,668 0.643,669 30.862,670 1.029,671 1.147,672 4.086,673 16.692,674 0.644,675 3.434,676 3.761,677 3.932,678 4.078,679 4.263,680 4.234,681 4.317,682 4.369,683 4.369,684 4.443,685 7.875,686 0.635,687 394.43,688 3.434,689 4.977,690 5.796,691 6.658,692 7.492,693 8.352,694 9.19,695 10.05,696 10.89,697 11.749,698 4.1,705 1,708 1,715 7,716 1,720 4,722 12,737 1,739 1,741 49,743 13,744 1,745 30,747 51,748 20,749 11,750 2,751 4,756 3,757 3,763 1,767 6,769 1,770 6,772 12,773 8,777 1,782 1,786 1,791 3,793 21,794 8,796 8,802 2,808 1,809 3,822 1,829 3,859 3,864 1,866 3,868 28,876 5,878 2,880 1,881 1,882 1,892 3,893 6.1,896 1,898 2,901 15.083,902 8.995,903 6.056,904 3.061,907 2.227,908 1.311,909 0.946,910 6.456,911 9.389,912 3.638,913 4.159,914 4.59,915 5.035,916 5.534,917 5.609,918 5.92,919 6.228,920 6.486,921 6.814,922 0.889,923 41,924 10.813,926 5.017,927 0.026,929 8.265,931 19.165,933 15.521,936 2.765,937 77.417,941 247.193,942 119.983,943 19.91,945 47.145,946 44.88,948 119.983,949 294.338,950 64.79,951 8.396,952 15.797,953 56.857,954 53.702,955 89.6,956 11.577,957 235.422,958 7.76,959 247.193,960 139.893,961 92.025,964 200.109,965 139.109,968 32.604,969 90.503,970 16.786,972 292.073,973 67.055,974 119.983,977 254.953,978 37.922,979 77.426,981 108.811,982 247.193,983 111.935,984 119.983,986 0.59,987 0.326,988 0.156,989 0.083,990 19,991 9,992 0.098,993 5,995 1,996 4.038,997 224.951,999 18,1000 121.851,1005 20.474,1006 8.829,1007 5.623,1009 111.935,1010 9.005,1011 3.652,1015 -0.077,1018 479.111,1019 37,1024 12.271,1028 -0.412,1031 50.443,1032 56.211,1034 0.309,1035 0.604,1036 0.727,1037 0.807,1038 0.842,1039 0.856,1040 4.89,1041 1.411,1042 5.814,1043 4.598,1044 4.443,1045 4.844,1046 3.45,1047 6.616,1048 4.295,1049 6.083,1050 1,1051 7.383,1052 3.139,1053 4.205,1054 4.635,1055 4.006,1056 7.732,1057 3.845,1058 7.384,1059 1,1060 9.065,1061 2.275,1062 6.089,1063 6.901,1064 5.561,1065 10.692,1066 5.754,1067 8.716,1068 1,1069 10.815,1070 2.275,1071 6.635,1072 7.411,1073 6.735,1074 12.62,1075 6.062,1076 10.078,1077 0.674,1078 12.612,1079 2.136,1080 8.054,1081 9.23,1082 8.102,1083 15.191,1084 7.483,1085 11.46,1086 0.237,1087 14.441,1088 1.641,1089 8.938,1090 10.068,1091 9.406,1092 17.431,1093 8.142,1094 12.857,1095 -0.225,1096 16.294,1097 0.591,1098 10.188,1099 11.687,1100 10.748,1101 19.899,1102 9.352,1103 3.314,1104 -0.687,1105 18.167,1106 -0.554,1107 11.227,1108 12.705,1109 12.081,1110 22.262,1111 10.188,1112 2.95,1113 11.657,1114 20.054,1115 -1.608,1116 12.417,1117 14.214,1118 13.421,1119 24.706,1120 11.299,1121 2.707,1122 9.428,1123 21.954,1124 3.846,1125 13.528,1126 15.343,1127 14.76,1128 27.118,1129 12.227,1130 2.462,1131 7.804,1132 23.863,1133 3.656,1134 14.701,1135 16.785,1136 16.101,1137 29.56,1138 13.292,1139 2.168,1140 7.125,1141 25.781,1142 3.221,1143 15.846,1144 17.985,1145 17.442,1146 31.994,1147 14.268,1148 1.936,1149 6.097,1150 27.706,1151 3.104,1152 17.018,1153 19.385,1154 18.783,1155 34.439,1156 15.312,1157 1.564,1158 5.349,1159 29.636,1160 2.677,1161 18.181,1162 20.632,1163 20.125,1164 36.882,1165 16.314,1166 10662,1167 19924,1168 19.474,1169 31.563,1170 45.375,1171 45.053,1172 45.439,1173 45.137,1174 44.847,1175 54.569,1176 15.356,1177 128.228,1178 41.669,1179 5.44,1180 6.46,1181 6.913,1182 5.27,1183 5.314,1184 6.846,1185 5.529,1186 18.535,1187 4.856,1188 15.805,1189 1.513,1190 1.502,1191 1.515,1192 1.505,1193 1.495,1194 1.819,1195 0.512,1196 4.274,1197 1.389,1198 3.969,1199 3.997,1200 3.924,1201 3.848,1202 8.513,1203 3.86,1204 3.882,1205 3.931,1206 3.813,1207 3.752,1208 7.999,1209 3.751,1210 3.831,1211 3.86,1212 3.741,1213 3.735,1214 7.999,1215 3.734,1216 3.496,1217 3.551,1218 3.411,1219 3.236,1220 7.433,1221 3.267,1222 3.31,1223 3.348,1224 3.323,1225 2.996,1226 5.004,1227 3.058,1228 3.111,1229 3.206,1230 2.948,1231 2.941,1232 4.767,1233 2.91,1234 3.058,1235 3.083,1236 2.866,1237 2.81,1238 4.369,1239 2.833,1240 2.95,1241 3.048,1242 2.739,1243 2.735,1244 4.263,1245 2.715,1246 0.148,1247 0.149,1248 0.237,1249 0.139,1250 0.11,1251 4.44,1252 0.128,1253 4.46,1254 0.128,1255 7.111,1256 0.389,1257 4.168,1258 0.095,1259 3.314,1260 3.846,1261 3.825,1262 11.657,1263 2.856,1264 1.891,1265 1.869,1266 2.096,1267 2.045,1268 1.483,1269 2.061,1270 1.869,1271 1.818,1272 1.978,1273 2.01,1274 1.044,1275 1.997,1276 1.798,1277 1.77,1278 1.892,1279 1.922,1280 0.959,1281 1.914,1282 1.409,1283 1.344,1284 1.678,1285 1.687,1286 0.878,1287 1.682,1288 1.153,1289 1.064,1290 1.513,1291 1.427,1292 0.825,1293 1.429,1294 1.075,1295 1.056,1296 1.396,1297 1.376,1298 0.597,1299 1.317,1300 1.006,1301 0.923,1302 1.181,1303 1.249,1304 0.22,1305 1.305,1306 0.896,1307 0.86,1308 1.163,1309 1.237,1310 0.218,1311 1.174,1312 4.111,1314 5.434,1316 6.94,1318 8.518,1320 10.13,1322 1.742,1324 37.635,1328 5.407,1330 10.798,1332 0.203,1333 1.635,1334 -4.443,1340 31.132,1341 84.934,1342 166.292,1343 200.127,1344 222.101,1345 231.611,1346 235.611,1347 66.906,1348 7.162,1349 51.66,1350 51.66,1351 18,1352 12.304,1353 3.807,1354 3,1355 50.191,1356 137,1357 108,1358 0.181,1359 189.117,1360 343.78,1361 453.206,1362 12890,1363 6.1,1364 20.148,1365 0.72,1366 0.55,1367 17.648,1368 15.407,1369 13.326,1370 0.444,1371 0.303,1372 8.893,1373 12.552,1374 8.767,1375 7.247,1376 12.114,1377 9.086,1378 12.676,1379 0.302,1380 0.16,1381 10.719,1382 6.727,1383 9.701,1384 0.194,1385 0.095,1386 8.765,1387 4.725,1388 7.303,1389 0.126,1390 0.053,1391 6.604,1392 3.095,1393 5.743,1394 0.082,1395 0.03,1396 5.479,1397 2.125,1398 0.297,1399 85.49,1400 0.227,1401 27.525,1402 0.466,1403 144,1404 650.83,1405 176.224,1406 533.931,1407 691.42,1408 494,1409 164,1410 485.464,1411 188.939,1412 464.349,1413 695.9,1414 434,1415 4.301}
{0 CHEMBL439508,1 1.434,2 10.12,3 2.86,4 8.182,5 94.184,6 6.185,8 4.089,9 4.229,10 3.453,11 3.562,12 5.077,13 3.505,14 4.716,15 4.916,16 3.831,17 4.032,18 5.71,19 3.923,20 5.125,21 5.38,22 3.924,23 4.223,24 5.99,25 4.083,26 5.23,27 5.499,28 3.925,29 4.198,30 6.207,31 4.072,32 5.159,33 5.417,34 3.934,35 4.16,36 6.187,37 4.048,38 5.15,39 5.39,40 3.905,41 4.162,42 6.325,43 4.031,44 5.151,45 5.439,46 3.583,47 4.131,48 5.972,49 3.927,50 5.06,51 5.385,52 3.453,53 3.964,54 5.91,55 3.736,56 0.059,57 0.778,58 14.049,59 5.798,60 11.246,61 8.124,62 0.293,63 1.285,64 26.068,65 10.288,66 64.472,67 14.776,68 0.332,69 1.643,70 39.033,71 13.029,72 65.819,73 19.725,74 0.659,75 1.648,76 44.305,77 12.441,78 119.376,79 19.423,80 0.573,81 1.546,82 41.319,83 12.106,84 108.456,85 18.428,86 0.955,87 1.524,88 41.493,89 12.631,90 169.723,91 18.653,92 0.511,93 1.504,94 39.649,95 12.841,96 91.81,97 19.516,98 0.521,99 1.286,100 35.622,101 11.483,102 105.649,103 17.759,104 49,105 36,106 0.242,107 0.433,108 0.63,109 0.811,110 0.827,111 0.827,112 3.267,113 1.12,114 -3.25,115 -3.24,116 -3.11,121 33.3,122 1,123 11,124 2,125 1,129 1,160 3,165 1,166 1,167 1,170 1,174 1,176 14,177 1,180 3,182 1,183 3,185 5,187 15,188 2,189 1,192 7,197 9,200 9,201 2,203 2,206 9,211 8,214 8,215 3,216 2,219 6,220 1,224 4,225 1,227 13,228 2,231 1,232 4,235 3,236 2,237 3,238 1,239 17,244 1,249 1,251 13,252 2,255 1,256 3,258 1,259 1,261 3,264 7,265 2,266 1,269 5,274 5,277 5,278 1,279 3,281 979,282 16.344,283 16.344,284 16.344,285 16.344,286 16.344,287 15.863,288 19.387,289 9.626,290 16.363,291 12.717,292 12.717,293 12.717,294 12.717,295 12.717,296 11.906,297 26.234,298 4.37,299 12.732,300 4.398,301 3.266,302 2.099,303 1.022,304 0.926,305 0.926,306 3.922,311 1,312 1,313 510,314 4.472,317 82.299,318 97.452,325 1.504,326 40.718,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 55,338 253,339 4.564,340 4.026,341 7.627,342 4.506,343 3.502,344 3.67,345 2.341,346 13.9,347 3.511,348 3.911,349 3.711,350 5.932,351 3.788,352 2.784,353 3.048,354 1.907,355 8.241,356 2.792,357 3.838,358 3.652,359 5.903,360 3.656,361 2.652,362 2.995,363 1.886,364 8.067,365 2.647,366 3.454,367 2.789,368 5.388,369 3.348,370 2.367,371 2.482,372 0.149,373 6.987,374 2.314,375 2.959,376 2.505,377 4.739,378 2.702,379 1.68,380 1.949,382 4.328,383 1.705,384 2.654,385 2.025,386 3.962,387 2.443,388 1.437,389 1.607,391 3.138,392 1.429,393 2.497,394 1.94,395 3.784,396 2.302,397 1.291,398 1.422,400 2.915,401 1.296,402 2.276,403 1.369,404 3.618,405 2.155,406 1.131,407 1.235,409 2.569,410 1.149,411 2,412 1.016,413 3.582,414 2,415 1,416 1,418 2.275,419 1,420 1.845,421 1,422 3.414,423 1.74,424 0.734,425 0.778,427 1.464,428 0.731,429 1.618,430 0.623,431 3.151,432 1.618,433 0.618,434 0.618,436 1.368,437 0.618,438 1.112,439 0.618,440 2.842,441 0.897,442 -0.106,443 -0.116,445 -0.255,446 -0.105,447 0.683,448 0.426,449 2.468,450 0.672,451 -0.329,452 -0.33,454 -0.637,455 -0.329,456 0.512,457 0.18,458 2.028,459 0.187,460 -0.842,461 -0.902,463 -2,464 -0.844,465 0.472,466 -0.26,467 2,468 0.105,469 -0.924,470 -0.956,472 -2,473 -0.893,474 11.633,475 0.465,476 0.71,477 0.028,478 19.25,479 0.77,480 4.5,481 0.18,482 14.75,483 0.59,484 32.206,485 1.288,486 30.967,487 0.543,488 13.256,489 0.53,490 2.658,491 0.106,492 9.218,493 0.369,494 0.192,495 0.043,496 0.258,501 0.733,502 1.371,503 1.008,504 1.297,505 0.642,506 1.204,507 0.357,508 1.337,509 0.935,510 1.334,511 0.355,512 1.251,513 0.783,514 1.25,515 0.987,516 1.208,517 0.766,518 1.141,519 1.296,520 0.964,521 1.071,522 0.923,523 1.272,524 0.945,525 1.301,526 0.971,527 1.033,528 0.955,529 1.306,530 0.944,531 1.201,532 0.98,533 1.148,534 1.049,535 1.231,536 1.096,537 0.909,538 0.999,539 1.073,540 1.056,541 0.849,542 1.091,543 0.488,544 0.854,545 0.763,546 0.91,547 0.47,548 0.89,549 6.5,550 0.151,551 3.556,552 1.75,553 1.747,554 0.941,555 0.461,556 0.409,557 0.252,558 0.157,559 6177,560 15640,561 1.919,562 56.1,563 21,564 1,567 4,568 2,569 4,572 1.683,573 1.754,574 3.285,575 1.736,576 1,577 1,582 81.764,583 1.434,584 2.567,585 3.734,586 4.811,587 4.907,588 4.907,589 2.744,590 3.814,591 4.612,592 3.463,593 1038.98,594 7.995,595 12608.3,597 1,599 1,600 332.475,601 1.682,602 4.536,603 0.25,604 0.012,605 0.099,606 0.047,607 0.049,608 0.025,609 0.014,610 0.017,611 0.012,612 0.008,613 0.533,614 0.17,615 1,616 1.604,617 120.39,618 -0.072,619 0.085,620 -0.003,621 0.08,622 -0.029,623 0.057,624 0.216,625 -0.073,626 0.016,627 -0.082,628 0.185,629 -0.074,630 -0.024,631 -0.175,632 -0.031,633 -0.137,634 -0.03,635 -0.092,636 -0.156,637 0.022,638 -0.054,639 0.019,640 -0.146,641 0.006,642 -0.135,643 0.024,644 -0.012,645 0.02,646 -0.117,647 0.029,648 0.067,649 0.022,650 -0.113,651 -0.044,652 0.04,653 -0.108,654 -0.092,655 -0.045,656 -0.131,657 -0.069,658 -0.06,659 -0.102,660 0.155,661 0.015,662 0.133,663 0.023,664 0.149,665 0.069,666 2.456,667 6.018,668 0.44,669 21.312,670 0.996,671 1.141,672 2.02,673 4.08,674 0.601,675 3.296,676 3.611,677 3.829,678 3.989,679 4.127,680 4.127,681 4.06,682 4.06,683 3.97,684 3.85,685 6.028,686 0.558,687 352.53,688 3.296,689 4.828,690 5.659,691 6.532,692 7.393,693 8.271,694 9.143,695 10.024,696 10.901,697 11.784,698 3.5,705 2,741 57,743 3,745 26,747 58,748 19,756 2,757 2,763 1,764 1,766 1,767 9,768 1,770 12,772 3,773 16,774 2,777 3,782 3,786 3,790 1,793 32,794 6,795 4,796 6,802 2,808 1,809 4,828 1,829 1,842 1,843 1,845 1,857 1,859 2,864 1,868 25,869 1,875 1,876 11,877 1,880 3,882 1,893 7,895 1,896 3,901 14.25,902 9.783,903 5.681,904 4.008,907 0.194,908 1.03,909 0.875,910 7.3,911 6.601,912 3.401,913 3.761,914 3.989,915 4.143,916 4.304,917 4.357,918 4.248,919 4.304,920 4.111,921 4.007,922 0.857,923 37,924 9.451,926 4.121,927 0.026,929 7.99,931 18.179,933 15.665,936 2.49,937 62.25,940 1,941 329.591,942 47.024,943 50.908,945 118.118,948 47.024,949 447.709,950 50.908,951 8.825,952 78.788,954 128.437,957 329.591,959 329.591,960 97.932,961 118.118,964 282.506,965 165.203,968 87.613,969 10.319,972 329.591,973 169.026,974 47.024,977 329.591,978 38.199,979 8.825,980 18.011,981 151.015,982 329.591,983 169.026,984 47.024,986 0.578,987 0.338,988 0.168,989 0.09,990 15,991 8,992 0.138,993 8,995 1,996 3.526,997 195.408,999 11,1000 108.096,1005 20.224,1006 9.024,1007 5.195,1009 169.026,1017 93.591,1018 545.641,1019 29,1024 35.843,1028 -1.015,1031 56.767,1032 65.062,1034 0.246,1035 0.44,1036 0.64,1037 0.825,1038 0.841,1039 0.841,1040 4.682,1041 1.131,1042 5.687,1043 2.915,1044 4.29,1045 4.443,1046 3.06,1047 6.55,1048 4.289,1049 5.835,1050 1,1051 7.298,1052 2.569,1053 4.111,1054 4.369,1055 2.848,1056 7.934,1057 4.113,1058 7.139,1059 0.734,1060 9.033,1061 2.275,1062 5.984,1063 6.263,1064 4.267,1065 10.968,1066 5.98,1067 8.476,1068 0.618,1069 10.847,1070 1.464,1071 6.648,1072 7.013,1073 4.6,1074 13.228,1075 6.652,1076 9.854,1077 -0.106,1078 12.717,1079 1.368,1080 8.059,1081 8.449,1082 5.668,1083 15.929,1084 8.06,1085 11.257,1086 -0.329,1087 14.626,1088 -0.255,1089 9.062,1090 9.515,1091 6.248,1092 18.456,1093 9.072,1094 12.68,1095 -0.842,1096 16.564,1097 -0.637,1098 10.335,1099 10.819,1100 7.175,1101 21.097,1102 10.344,1103 3.502,1104 -0.924,1105 18.524,1106 -2,1107 11.476,1108 12.008,1109 7.88,1110 23.7,1111 11.492,1112 2.784,1113 13.9,1114 20.501,1115 -2,1116 12.714,1117 13.28,1118 8.749,1119 26.332,1120 12.731,1121 2.652,1122 8.241,1123 22.491,1124 3.67,1125 13.913,1126 14.52,1127 9.519,1128 28.956,1129 13.935,1130 2.367,1131 8.067,1132 24.49,1133 3.048,1134 15.148,1135 15.79,1136 10.366,1137 31.587,1138 15.172,1139 1.68,1140 6.987,1141 26.496,1142 2.995,1143 16.373,1144 17.054,1145 11.172,1146 34.216,1147 16.401,1148 1.437,1149 4.328,1150 28.509,1151 2.482,1152 17.612,1153 18.331,1154 12.013,1155 36.848,1156 17.643,1157 1.291,1158 3.138,1159 30.526,1160 1.949,1161 18.85,1162 19.607,1163 12.837,1164 39.479,1165 18.883,1166 6402,1167 10238,1168 16.296,1169 34.25,1170 38.692,1171 40.12,1172 41.424,1173 38.429,1174 38.394,1175 41.608,1176 12.566,1177 110.502,1178 38.384,1179 5.564,1180 6.026,1181 7.39,1182 5.525,1183 5.502,1184 5.67,1185 3.925,1186 21.29,1187 5.511,1188 15.704,1189 1.488,1190 1.543,1191 1.593,1192 1.478,1193 1.477,1194 1.6,1195 0.483,1196 4.25,1197 1.476,1198 3.999,1199 4.042,1200 3.901,1201 3.886,1202 7.474,1203 3.882,1204 3.874,1205 3.923,1206 3.758,1207 3.762,1208 7.437,1209 3.752,1210 3.707,1211 3.758,1212 3.582,1213 3.569,1214 7.427,1215 3.559,1216 3.472,1217 3.529,1218 3.377,1219 3.239,1220 6.351,1221 3.261,1222 3.389,1223 3.446,1224 3.219,1225 3.185,1226 4.883,1227 3.182,1228 3.229,1229 3.273,1230 3.124,1231 2.958,1232 4.338,1233 2.992,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 4.227,1239 2.91,1240 2.973,1241 3.036,1242 2.803,1243 2.671,1244 4.112,1245 2.679,1246 0.176,1247 0.155,1248 0.293,1249 0.173,1250 0.135,1251 4.564,1252 0.141,1253 4.026,1254 0.09,1255 7.627,1256 0.535,1257 4.506,1258 0.135,1259 3.502,1260 3.67,1261 2.341,1262 13.9,1263 3.511,1264 1.901,1265 1.855,1266 2.092,1267 2.056,1268 1.486,1269 2.069,1270 1.827,1271 1.787,1272 2.024,1273 1.971,1274 1.42,1275 1.988,1276 1.615,1277 1.561,1278 1.86,1279 1.795,1280 1.211,1281 1.815,1282 1.577,1283 1.507,1284 1.857,1285 1.751,1286 1.181,1287 1.793,1288 1.355,1289 1.3,1290 1.585,1291 1.63,1292 0.825,1293 1.614,1294 1.285,1295 1.236,1296 1.542,1297 1.551,1298 0.824,1299 1.542,1300 1.153,1301 1.064,1302 1.513,1303 1.376,1304 0.802,1305 1.429,1306 0.954,1307 0.878,1308 1.251,1309 1.326,1310 0.412,1311 1.314,1312 3.97,1314 5.283,1315 2.398,1316 6.788,1317 4.595,1318 8.381,1319 6.605,1320 10.023,1322 1.981,1326 5.364,1327 9.488,1328 8.395,1329 3.164,1332 -0.441,1334 -0.529,1340 31.804,1341 81.764,1342 146.305,1343 212.857,1344 274.21,1345 279.72,1346 279.72,1347 97.665,1348 6.407,1349 109.49,1350 109.49,1351 11,1352 12.319,1353 2,1354 2,1355 51.507,1356 87,1357 94,1358 0.287,1359 199.03,1360 361.78,1361 477.392,1362 3891,1364 18.449,1365 0.738,1366 0.61,1367 18.449,1368 15.26,1369 11.876,1370 0.457,1371 0.373,1372 9.623,1373 11.497,1374 9.416,1375 7.807,1376 11.876,1377 9.708,1378 10.728,1379 0.298,1380 0.221,1381 10.728,1382 7.94,1383 8.437,1384 0.187,1385 0.136,1386 8.437,1387 6.131,1388 6.382,1389 0.12,1390 0.086,1391 6.382,1392 4.569,1393 4.775,1394 0.078,1395 0.05,1396 4.775,1397 3.069,1398 0.444,1399 74.261,1400 0.248,1401 24.159,1402 0.802,1403 124,1404 341.001,1405 135.938,1406 322.038,1407 409.68,1408 294,1409 143,1410 274.756,1411 153.306,1412 274.786,1413 396.27,1414 258,1415 5.523}
{0 CHEMBL440185,1 1.405,2 5.765,3 2.309,4 5.329,5 63.69,6 7.16,7 0.333,8 3.593,9 3.684,10 3.121,11 3.057,12 4.714,13 3.055,14 4.154,15 4.321,16 3.458,17 3.422,18 5.155,19 3.417,20 4.24,21 4.36,22 3.659,23 3.559,24 5.44,25 3.555,26 4.399,27 4.545,28 3.65,29 3.568,30 5.623,31 3.554,32 4.432,33 4.583,34 3.424,35 3.488,36 5.567,37 3.45,38 4.388,39 4.591,40 2.912,41 3.379,42 5.419,43 3.216,44 4.302,45 4.641,46 2.073,47 3.039,48 5.014,49 2.727,50 3.753,51 4.153,52 0.939,53 2.345,54 4.331,55 1.918,56 0.04,57 0.413,58 7.183,59 3.419,60 5.498,61 4.141,62 0.302,63 0.641,64 14.595,65 5.293,66 23.055,67 6.594,68 0.332,69 0.734,70 14.98,71 6.073,72 20.296,73 7.541,74 0.446,75 0.801,76 18.457,77 6.596,78 45.098,79 8.325,80 0.598,81 0.771,82 20.044,83 6.274,84 46.093,85 7.707,86 0.528,87 0.745,88 19.321,89 6.313,90 49.711,91 8.438,92 0.399,93 0.631,94 19.246,95 5.639,96 43.979,97 8.744,98 0.221,99 0.343,100 11.479,101 3.167,102 28.712,103 5.3,104 35,105 26,106 0.268,107 0.54,108 0.703,109 0.73,110 0.757,111 0.84,112 2.911,113 0.916,114 -3.08,115 -3.07,116 -2.96,121 39.4,122 1,123 1,124 1,126 3,144 1,145 2,146 3,159 1,176 5,180 4,187 6,191 2,192 7,200 3,205 2,206 7,214 1,218 1,219 4,231 1,232 2,281 253,282 11.456,283 11.456,284 11.456,285 11.456,286 11.456,287 10.636,288 17.075,289 6.405,290 11.934,291 8.632,292 8.632,293 8.632,294 8.632,295 8.632,296 7.063,297 20.938,298 2.692,299 9.094,300 3.64,301 2.208,302 1.357,303 1.213,304 1.069,305 0.637,306 3.553,311 1,312 1,313 198,314 2.55,317 33.516,318 39.415,321 61.395,325 0.747,326 20.81,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 38,338 98,339 4.659,340 3.827,341 7.015,342 4.318,343 3.331,344 4.362,345 1.277,346 11.963,347 3.296,348 4.025,349 3.319,350 6.274,351 3.723,352 2.756,353 3.385,354 0.86,355 9.248,356 2.644,357 3.447,358 2.59,359 5.451,360 3.093,361 2.153,362 2.728,363 0.86,364 6.715,365 2.026,366 3.256,367 2.556,368 5.325,369 2.95,370 1.955,371 2.406,372 0.86,373 6.179,374 1.93,375 2.547,376 2.007,377 4.437,378 2.334,379 1.353,380 1.505,382 3.759,383 1.312,384 2.152,385 1.775,386 3.788,387 1.927,388 1.091,389 1.129,391 2.224,392 0.904,393 1.67,394 1.132,395 3.047,396 1.311,397 0.402,398 0.472,400 0.658,401 0.357,402 1.419,403 1.008,404 2.558,405 1.169,406 0.316,407 0.341,409 0.409,410 0.267,411 1.102,412 0.524,413 2.458,414 0.803,415 -0.191,416 -0.229,418 -0.38,419 -0.186,420 0.772,421 0.046,422 2.324,423 0.415,424 -0.528,425 -0.653,427 -1.13,428 -0.489,429 0.443,430 -0.234,431 2.319,432 0.213,433 -0.712,434 -0.772,436 -1.479,437 -0.645,438 0.008,439 -0.739,440 1.813,441 -0.228,442 -1.234,443 -1.408,445 -3.051,446 -1.186,447 -0.327,448 -0.994,449 1.398,450 -0.547,451 -1.5,452 -1.748,454 -4.334,455 -1.423,456 -0.5,457 -1.188,458 1.256,459 -0.773,460 -1.7,461 -1.859,463 -4.936,464 -1.517,465 -0.581,466 -1.357,467 1.057,468 -0.854,469 -1.741,470 -2.039,471 -0.86,472 -5.206,473 -1.553,474 7.833,475 0.461,476 0.452,477 0.027,478 19.75,479 1.162,480 9,481 0.529,482 10.75,483 0.632,484 13.491,485 0.794,486 19.767,487 0.599,488 13.638,489 0.802,490 4.057,491 0.239,492 4.077,493 0.24,494 0.298,496 0.447,501 0.791,502 1.376,503 0.787,504 1.335,505 0.607,506 1.104,507 1.246,508 0.679,509 0.785,510 0.647,511 0.814,512 0.608,513 0.808,514 1.22,515 0.807,516 1.192,517 1.023,518 1.03,519 1.056,520 1.258,521 0.975,522 1.231,523 1.385,524 1.107,525 1.694,526 1.108,527 1.428,528 1.107,529 1.16,530 1.186,531 1.239,532 1.263,533 1.543,534 1.308,535 1.175,536 1.471,537 0.678,538 0.773,539 0.934,540 0.806,541 0.861,542 0.913,543 0.362,544 0.54,545 0.618,546 0.567,547 0.922,548 0.642,549 3.5,551 2.444,552 2.229,553 1.516,554 0.903,555 0.234,559 1747,560 5107,561 1.928,562 48.5,563 5,564 10,568 1,572 1.582,573 1.729,574 2.557,575 -0.75,577 1,578 1,579 1,582 46.359,583 1.405,584 2.836,585 3.687,586 3.831,587 3.975,588 4.407,589 1.792,590 3.97,591 4.059,592 2.607,593 354.599,594 6.925,595 3171.85,597 1,599 1,600 166.465,601 1.566,602 3.968,603 0.194,605 0.094,606 0.074,607 0.054,608 0.043,609 0.023,613 0.483,614 0.83,615 1,616 1.201,617 67.438,618 -0.023,619 -0.18,620 0.065,621 -0.156,622 -0.021,623 -0.045,624 -0.175,625 0.365,626 0.185,627 0.383,628 -0.067,629 0.375,630 0.175,631 -0.108,632 0.113,633 -0.098,634 0.047,635 -0.022,636 0.08,637 -0.219,638 -0.007,639 -0.211,640 -0.007,641 -0.143,642 -0.272,643 -0.121,644 -0.4,645 -0.151,646 -0.138,647 -0.283,648 -0.177,649 -0.306,650 -0.573,651 -0.358,652 -0.139,653 -0.532,654 -0.004,655 0.043,656 0.045,657 0.048,658 -0.003,659 0.057,660 0.137,661 0.208,662 0.368,663 0.239,664 0.02,665 0.342,666 1.558,667 5.068,668 0.529,669 9.17,670 1.011,671 1.126,672 1.847,673 3.411,674 0.634,675 2.944,676 3.296,677 3.664,678 3.97,679 4.143,680 4.174,681 4.19,682 4.043,683 3.526,684 2.773,685 3.71,686 0.608,687 236.29,688 2.944,689 4.489,690 5.38,691 6.297,692 7.212,693 8.135,694 9.054,695 9.978,696 10.899,697 11.823,715 1,720 5,722 6,727 1,739 3,741 33,743 7,744 1,745 18,747 34,748 13,749 6,750 5,751 1,752 1,756 2,757 3,763 1,767 1,768 1,770 1,772 7,773 6,774 1,777 1,782 1,786 1,790 1,793 16,794 4,796 4,808 0.5,809 4,828 1,829 1,832 1,859 1,864 4,868 17,876 1,878 3,880 1,893 12.1,896 1,898 3,901 9.833,902 7.333,903 4,904 1.854,907 1.397,908 1.228,909 0.907,910 3.291,911 7.515,912 3.135,913 3.726,914 4.366,915 4.932,916 5.411,917 5.655,918 5.831,919 5.806,920 5.437,921 4.594,922 0.75,923 30,924 6.287,926 2.603,927 0.026,929 7.873,931 11.847,933 9.387,936 2.373,937 40.333,938 0.002,941 188.338,942 80.72,945 58.145,948 80.72,949 246.482,951 41.474,952 2.535,953 9.476,954 30.278,955 55.101,957 188.338,959 188.338,960 80.72,961 58.145,964 188.338,965 58.145,968 11.36,969 69.36,972 188.338,973 58.145,974 80.72,977 188.338,978 29.769,979 50.951,981 58.145,982 188.338,983 58.145,984 80.72,986 0.576,987 0.389,988 0.229,989 0.122,990 13,991 7,992 0.088,993 3,994 1,995 1.222,996 2.691,997 122.663,998 0.222,999 9,1000 67.487,1005 12.242,1006 4.57,1007 1.784,1009 58.145,1010 1.859,1015 3.173,1018 327.202,1019 22,1024 12.068,1028 0.109,1031 33.378,1032 37.159,1034 0.278,1035 0.562,1036 0.731,1037 0.759,1038 0.788,1039 0.874,1040 4.401,1041 0.316,1042 5.407,1043 0.658,1044 3.97,1045 4.407,1046 2.164,1047 6.326,1048 3.897,1049 5.625,1050 -0.191,1051 7.043,1052 0.409,1053 3.761,1054 4.46,1056 7.455,1057 3.704,1058 6.972,1059 -0.528,1060 8.779,1061 -0.38,1062 5.666,1063 6.648,1064 2.263,1065 10.606,1066 5.561,1067 8.361,1068 -0.712,1069 10.57,1070 -1.13,1071 6.275,1072 7.501,1074 12.533,1075 6.176,1076 9.784,1077 -1.234,1078 12.394,1079 -1.479,1080 7.691,1081 9.23,1082 2.495,1083 15.229,1084 7.57,1085 11.23,1086 -1.5,1087 14.243,1088 -3.051,1089 8.646,1090 10.421,1092 17.48,1093 8.523,1094 12.694,1095 -1.7,1096 16.108,1097 -4.334,1098 9.9,1099 11.991,1100 2.832,1101 20.028,1102 9.766,1103 3.331,1104 -1.741,1105 17.986,1106 -4.936,1107 10.996,1108 13.332,1110 22.412,1111 10.858,1112 2.756,1113 11.963,1114 19.875,1115 -5.206,1116 12.202,1117 14.841,1118 3.238,1119 24.912,1120 12.056,1121 2.153,1122 9.248,1123 21.773,1124 4.362,1125 13.355,1126 16.251,1128 27.35,1129 13.203,1130 1.955,1131 6.715,1132 23.678,1133 3.385,1134 14.548,1135 17.737,1136 3.683,1137 29.834,1138 14.389,1139 1.353,1140 6.179,1141 25.589,1142 2.728,1143 15.725,1144 19.178,1146 32.295,1147 15.559,1148 1.091,1149 3.759,1150 27.505,1151 2.406,1152 16.918,1153 20.656,1154 4.149,1155 34.775,1156 16.745,1157 0.402,1158 2.224,1159 29.426,1160 1.505,1161 18.106,1162 22.113,1164 37.247,1165 17.925,1166 1909,1167 3326,1168 11.156,1169 20.909,1170 26.794,1171 28.555,1172 30.231,1173 26.538,1174 26.715,1175 32.655,1176 7.715,1177 82.311,1178 25.472,1179 5.496,1180 5.827,1181 6.557,1182 5.318,1183 5.331,1184 7.362,1185 2.555,1186 19.58,1187 5.296,1188 10.415,1189 1.489,1190 1.586,1191 1.679,1192 1.474,1193 1.484,1194 1.814,1195 0.429,1196 4.573,1197 1.415,1198 4.046,1199 4.054,1200 4.01,1201 3.966,1202 7.426,1203 3.974,1204 3.59,1205 3.617,1206 3.502,1207 3.426,1208 4.954,1209 3.437,1210 3.305,1211 3.356,1212 3.153,1213 3.02,1214 4.574,1215 3.041,1216 3.221,1217 3.296,1218 3.005,1219 2.944,1220 4.463,1221 2.942,1222 3.15,1223 3.237,1224 2.921,1225 2.889,1226 4.251,1227 2.883,1228 2.924,1229 2.964,1230 2.782,1231 2.704,1232 3.879,1233 2.707,1234 2.837,1235 2.93,1236 2.566,1237 2.649,1238 3.396,1239 2.614,1240 2.49,1241 2.541,1242 2.318,1243 2.242,1244 3.347,1245 2.255,1246 0.259,1247 0.213,1248 0.39,1249 0.24,1250 0.185,1251 4.659,1252 0.242,1253 3.827,1254 0.071,1255 7.015,1256 0.665,1257 4.318,1258 0.183,1259 3.331,1260 4.362,1261 1.277,1262 11.963,1263 3.296,1264 1.875,1265 1.873,1266 1.944,1267 1.985,1268 1.209,1269 1.966,1270 1.644,1271 1.6,1272 1.86,1273 1.809,1274 1.069,1275 1.83,1276 1.235,1277 1.186,1278 1.588,1279 1.556,1280 0.593,1281 1.563,1282 1.214,1283 1.148,1284 1.573,1285 1.522,1286 0.584,1287 1.537,1288 1.16,1289 1.073,1290 1.549,1291 1.475,1292 0.568,1293 1.499,1294 0.896,1295 0.814,1296 1.294,1297 1.176,1298 0.444,1299 1.216,1300 0.853,1301 0.783,1302 1.04,1303 1.067,1304 0.141,1305 1.065,1306 0.559,1307 0.496,1308 0.803,1309 0.78,1311 0.795,1312 3.611,1314 4.949,1315 2.398,1316 6.512,1317 4.844,1318 8.181,1319 7.018,1320 9.908,1322 6.564,1328 0.727,1330 15.838,1332 -0.004,1340 20.074,1341 46.359,1342 93.597,1343 121.671,1344 126.426,1345 131.181,1346 145.445,1347 31.766,1348 6.118,1349 44.76,1350 44.76,1351 11,1352 12.329,1353 3,1354 2.322,1355 28,1356 39,1357 34,1358 0.403,1359 124.959,1360 222.44,1361 296.661,1362 2515,1364 12.577,1365 0.74,1366 0.617,1367 12.577,1368 10.495,1369 8.134,1370 0.452,1371 0.305,1372 5.357,1373 7.62,1374 5.081,1375 4.287,1376 8.134,1377 5.496,1378 6.958,1379 0.268,1380 0.16,1381 6.958,1382 4.149,1383 6.446,1384 0.17,1385 0.082,1386 6.446,1387 3.132,1388 5.53,1389 0.106,1390 0.044,1391 5.53,1392 2.307,1393 4.325,1394 0.07,1395 0.025,1396 4.325,1397 1.554,1398 0.575,1399 52.726,1400 0.299,1401 16.272,1402 1.302,1403 88,1404 312.942,1405 98.739,1406 282.728,1407 378.05,1408 266,1409 108,1410 264.273,1411 120.181,1412 268.782,1413 395.07,1414 247,1415 6.42}
{0 CHEMBL440497,1 1.406,2 10.531,3 5.517,4 30.442,5 127.622,6 7.01,7 0.5,8 4.201,9 4.322,10 3.732,11 3.767,12 5.225,13 3.732,14 4.766,15 4.943,16 4.123,17 4.197,18 5.759,19 4.141,20 5.043,21 5.239,22 4.198,23 4.383,24 5.924,25 4.29,26 5.217,27 5.465,28 4.159,29 4.424,30 6.034,31 4.308,32 5.185,33 5.412,34 4.222,35 4.474,36 6.028,37 4.357,38 5.285,39 5.53,40 4.256,41 4.538,42 6.1,43 4.414,44 5.254,45 5.48,46 4.222,47 4.537,48 6.139,49 4.402,50 5.264,51 5.524,52 4.036,53 4.418,54 6.148,55 4.261,56 0.044,57 0.865,58 13.325,59 5.75,60 10.019,61 7.775,62 0.41,63 1.476,64 25.289,65 9.559,66 36.342,67 13.378,68 0.205,69 1.869,70 33.677,71 13.357,72 31.662,73 18.553,74 0.436,75 2.158,76 42.431,77 14.822,78 49.285,79 21.215,80 0.305,81 2.099,82 39.716,83 15.685,84 38.741,85 22.134,86 0.421,87 2.243,88 45.003,89 17.571,90 47.458,91 24.668,92 0.335,93 2.21,94 42.55,95 17.542,96 44.787,97 24.414,98 0.472,99 2.134,100 44.926,101 17.11,102 63.92,103 24.032,104 13,105 52,106 0.226,107 0.527,108 0.702,109 0.797,110 0.822,111 0.843,112 3.503,113 0.934,114 -5.29,115 -5.18,116 -4.84,121 44.3,122 1,123 1,125 1,126 1,127 3,130 1,144 13,145 3,146 2,161 1,176 17,179 2,180 9,183 2,187 18,192 12,200 11,206 11,211 2,214 8,218 1,219 11,224 2,227 18,231 1,232 5,237 1,239 25,243 1,244 5,247 1,249 2,251 26,255 1,256 3,259 1,264 20,269 5,274 1,277 14,281 1848,282 21.988,283 21.988,284 21.988,285 21.988,286 21.988,287 19.67,288 29.056,289 12.992,290 22.359,291 17.757,292 17.757,293 17.757,294 17.757,295 17.757,296 14.307,297 40.996,298 6.171,299 18.333,300 4.525,301 2.649,302 1.559,303 0.968,304 0.812,305 0.68,306 4.212,311 1,312 1,313 737,314 3.742,317 114.372,318 247.545,320 93.344,321 105.886,324 143.875,325 1.781,326 19.596,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 67.5,338 337,339 4.842,340 3.989,341 8.016,342 4.724,343 3.748,344 4.212,345 2.186,346 15.396,347 3.663,348 4.01,349 3.658,350 6.312,351 3.685,352 2.728,353 3.467,354 1.042,355 9.241,356 2.617,357 3.924,358 2.988,359 6.247,360 3.622,361 2.652,362 3.451,363 0.843,364 9.026,365 2.577,366 3.896,367 2.942,368 5.519,369 3.528,370 2.563,371 3.306,372 0.366,373 7.441,374 2.479,375 3.664,376 2.68,377 5.388,378 3.326,379 2.36,380 2.881,381 0.265,382 6.951,383 2.249,384 3.475,385 2.492,386 5.31,387 3.228,388 2.267,389 2.611,390 0.114,391 6.759,392 2.158,393 3.313,394 2.411,395 4.903,396 2.954,397 1.989,398 2.465,400 5.369,401 1.903,402 2.952,403 1.804,404 4.707,405 2.574,406 1.602,407 2.116,409 4.72,410 1.556,411 2.871,412 1.544,413 4.221,414 2.441,415 1.444,416 2.021,418 3.152,419 1.439,420 2.595,421 1.46,422 3.917,423 2.304,424 1.329,425 1.613,427 3.027,428 1.291,429 2.517,430 1.168,431 3.597,432 2.126,433 1.131,434 1.522,436 3.002,437 1.124,438 2.5,439 1.106,440 3.548,441 2,442 1,443 1.5,445 2.136,446 1,447 2.5,448 1,449 3.247,450 2,451 1,452 1.5,454 2.136,455 1,456 1.831,457 1,458 3.247,459 1.729,460 0.762,461 0.805,463 1.992,464 0.735,465 1.513,466 0.922,467 3.168,468 1.311,469 0.398,470 0.424,472 0.624,473 0.359,474 15.367,475 0.48,476 0.763,477 0.024,478 41.25,479 1.289,480 20.5,481 0.641,482 20.75,483 0.648,484 29.791,485 0.931,486 33.833,487 0.555,488 32.24,489 1.008,490 8.142,491 0.254,492 7.439,493 0.232,494 0.087,495 0.033,496 0.28,501 0.803,502 1.305,503 0.828,504 1.082,505 0.62,506 0.973,507 0.757,508 0.941,509 0.902,510 0.878,511 0.471,512 0.888,513 0.968,514 1.319,515 1.048,516 1.194,517 0.696,518 1.141,519 1.239,520 0.957,521 1.072,522 0.903,523 0.904,524 0.947,525 0.769,526 1.101,527 0.988,528 1.08,529 0.725,530 1.059,531 0.902,532 0.875,533 0.917,534 0.891,535 0.686,536 0.905,537 0.738,538 1.101,539 1.055,540 1.164,541 0.756,542 1.152,543 1.013,544 0.923,545 1.056,546 1.01,547 1.326,548 1.037,549 6.5,550 0.128,551 3.556,552 3.146,553 1.833,554 1.508,555 1.059,556 0.661,557 0.394,558 0.164,559 13087,560 30290,561 2.147,562 47.5,563 3,564 22,565 1,567 1,569 2,572 1.754,573 2.032,574 3.343,575 -0.434,582 85.757,583 1.406,584 3.282,585 4.371,586 4.963,587 5.119,588 5.25,589 2.864,590 4.625,591 4.961,592 3.532,593 1751.84,594 8.738,595 24570.1,600 361.775,601 1.438,602 4.937,603 0.181,604 0.005,605 0.068,606 0.058,607 0.036,608 0.027,609 0.018,610 0.012,611 0.009,612 0.005,613 0.421,614 0.33,615 0.88,616 0.945,617 164.54,618 0.007,619 -0.153,620 0.073,621 -0.044,622 -0.026,623 0.01,624 0.262,625 0.196,626 0.053,627 0.102,628 0.189,629 0.065,630 -0.047,631 -0.272,632 -0.098,633 -0.193,634 -0.005,635 -0.161,636 -0.162,637 0.079,638 -0.074,639 0.046,640 -0.053,641 0.007,642 0.027,643 -0.087,644 -0.033,645 -0.083,646 0.002,647 -0.068,648 -0.01,649 0.097,650 0.057,651 0.106,652 -0.025,653 0.092,654 0.038,655 -0.117,656 -0.106,657 -0.15,658 -0.02,659 -0.148,660 -0.016,661 0.023,662 -0.064,663 -0.028,664 -0.096,665 -0.048,666 2.108,667 4.798,668 0.75,669 36.172,670 0.991,671 1.12,672 4.065,673 16.521,674 0.669,675 3.611,676 3.97,677 4.304,678 4.663,679 4.963,680 5.147,681 5.425,682 5.628,683 5.765,684 5.886,685 6.427,686 0.629,687 427.59,688 3.611,689 5.176,690 6.057,691 6.974,692 7.888,693 8.826,694 9.759,695 10.71,696 11.657,697 12.617,698 4.9,701 1,704 1,705 1,715 13,720 5,722 18,736 1,737 1,741 61,743 19,744 3,745 36,747 65,748 27,749 18,750 5,751 13,756 5,757 8,763 1,764 1,766 1,767 1,770 1,772 19,773 8,777 1,782 1,786 1,793 29,794 5,795 1,796 5,802 3,808 0.6,809 2,825 1,828 2,829 3,831 1,832 1,835 1,855 1,859 3,864 2,868 32,876 4,877 1,878 1,880 1,881 2,882 1,893 3.3,896 1,898 1,901 15.75,902 11.4,903 6.986,904 3.671,907 2.806,908 1.336,909 0.989,910 5.663,911 11.153,912 3.85,913 4.413,914 4.94,915 5.487,916 6.014,917 6.18,918 6.618,919 7.018,920 7.336,921 7.658,922 1,923 54,924 11.851,926 5.079,927 0.026,929 7.549,931 23.24,933 19.806,936 2.049,937 65.583,941 329.591,942 173.584,943 24.259,945 36.145,948 173.584,949 365.736,950 24.259,951 17.222,952 26.862,953 123.191,954 25.145,955 34.805,956 18.534,957 317.82,959 329.591,960 197.843,961 36.145,964 306.049,965 59.687,968 38.812,969 159.031,972 329.591,973 60.404,974 173.584,977 329.591,978 33.171,979 146.661,980 18.011,981 36.145,982 329.591,983 60.404,984 173.584,986 0.581,987 0.343,988 0.191,989 0.111,990 27,991 11,992 0.092,993 6,994 2,995 1.167,996 4.209,997 316.985,998 0.167,999 24,1000 152,1005 21.05,1006 8.608,1007 3.927,1009 60.404,1010 27.408,1015 5.695,1017 18.011,1018 563.579,1019 46,1024 11.798,1028 -0.442,1031 60.447,1032 68.311,1034 0.237,1035 0.553,1036 0.737,1037 0.837,1038 0.863,1039 0.885,1040 5.115,1041 1.602,1042 6.071,1043 5.369,1044 4.654,1045 5.1,1046 2.554,1047 6.982,1048 4.591,1049 6.313,1050 1.444,1051 7.688,1052 4.72,1053 4.369,1054 4.808,1055 1.905,1056 8.293,1057 4.277,1058 7.629,1059 1.329,1060 9.428,1061 3.152,1062 6.358,1063 7.195,1064 3.56,1065 11.477,1066 6.234,1067 8.982,1068 1.131,1069 11.252,1070 3.027,1071 6.967,1072 7.692,1073 3.622,1074 13.745,1075 6.822,1076 10.374,1077 1,1078 13.136,1079 3.002,1080 8.459,1081 9.58,1082 4.92,1083 16.575,1084 8.291,1085 11.796,1086 1,1087 15.066,1088 2.136,1089 9.48,1090 10.469,1091 5.296,1092 19.171,1093 9.295,1094 13.242,1095 0.762,1096 17.032,1097 2.136,1098 10.822,1099 12.133,1100 6.39,1101 21.925,1102 10.617,1103 3.748,1104 0.398,1105 19.024,1106 1.992,1107 12.022,1108 13.245,1109 6.932,1110 24.62,1111 11.799,1112 2.728,1113 15.396,1114 21.037,1115 0.624,1116 13.331,1117 14.794,1118 7.902,1119 27.358,1120 13.088,1121 2.652,1122 9.241,1123 23.066,1124 4.212,1125 14.602,1126 16.038,1127 8.54,1128 30.08,1129 14.34,1130 2.563,1131 9.026,1132 25.108,1133 3.467,1134 15.911,1135 17.526,1136 9.436,1137 32.815,1138 15.628,1139 2.36,1140 7.441,1141 27.159,1142 3.451,1143 17.211,1144 18.85,1145 10.13,1146 35.545,1147 16.907,1148 2.267,1149 6.951,1150 29.218,1151 3.306,1152 18.524,1153 20.308,1154 10.981,1155 38.279,1156 18.199,1157 1.989,1158 6.759,1159 31.281,1160 2.881,1161 19.836,1162 21.679,1163 11.71,1164 41.012,1165 19.489,1166 12370,1167 18927,1168 24.444,1169 40.824,1170 54.514,1171 55.573,1172 56.159,1173 54.131,1174 54.16,1175 68.027,1176 9.634,1177 162.538,1178 52.502,1179 5.813,1180 5.989,1181 7.818,1182 5.79,1183 5.748,1184 7.212,1185 3.889,1186 23.974,1187 5.663,1188 12.903,1189 1.514,1190 1.544,1191 1.56,1192 1.504,1193 1.504,1194 1.89,1195 0.268,1196 4.515,1197 1.458,1198 4.114,1199 4.151,1200 4.06,1201 4.018,1202 7.435,1203 4.023,1204 3.899,1205 3.931,1206 3.826,1207 3.839,1208 4.851,1209 3.832,1210 3.88,1211 3.909,1212 3.807,1213 3.826,1214 4.746,1215 3.817,1216 3.692,1217 3.731,1218 3.614,1219 3.552,1220 4.735,1221 3.556,1222 3.511,1223 3.577,1224 3.416,1225 3.21,1226 4.415,1227 3.254,1228 3.266,1229 3.342,1230 3.133,1231 3.092,1232 4.205,1233 3.091,1234 3.232,1235 3.312,1236 3.07,1237 3.068,1238 4.007,1239 3.059,1240 3.015,1241 3.106,1242 2.817,1243 2.855,1244 3.858,1245 2.829,1246 0.134,1247 0.111,1248 0.223,1249 0.131,1250 0.104,1251 4.842,1252 0.117,1253 3.989,1254 0.061,1255 8.016,1256 0.428,1257 4.724,1258 0.102,1259 3.748,1260 4.212,1261 2.186,1262 15.396,1263 3.663,1264 1.93,1265 1.903,1266 2.05,1267 2.03,1268 1.311,1269 2.037,1270 1.91,1271 1.881,1272 2.037,1273 1.996,1274 1.218,1275 2.011,1276 1.885,1277 1.861,1278 1.997,1279 1.968,1280 1.163,1281 1.978,1282 1.612,1283 1.563,1284 1.81,1285 1.777,1286 0.996,1287 1.788,1288 1.495,1289 1.423,1290 1.713,1291 1.745,1292 0.96,1293 1.733,1294 1.398,1295 1.325,1296 1.688,1297 1.692,1298 0.683,1299 1.7,1300 1.207,1301 1.139,1302 1.479,1303 1.42,1304 0.653,1305 1.442,1306 1.05,1307 0.971,1308 1.403,1309 1.269,1310 0.584,1311 1.322,1312 4.29,1314 5.638,1315 3.045,1316 7.191,1317 5.638,1318 8.842,1319 7.934,1320 10.557,1322 3.934,1328 3.852,1329 2.533,1330 5.476,1332 0.244,1333 5.127,1334 -0.041,1340 38.342,1341 85.757,1342 200.205,1343 266.65,1344 302.755,1345 312.265,1346 320.265,1347 45.691,1348 8.347,1349 44.81,1350 44.81,1351 28,1352 13.103,1353 4.322,1354 3.459,1355 45.258,1356 118,1357 144,1358 0.186,1359 231.898,1360 405.34,1361 557.591,1362 47480,1364 22.131,1365 0.692,1366 0.582,1367 22.131,1368 18.622,1369 15.581,1370 0.433,1371 0.311,1372 11.087,1373 15.128,1374 10.749,1375 8.923,1376 15.581,1377 11.21,1378 14.172,1379 0.273,1380 0.172,1381 14.172,1382 8.929,1383 12.317,1384 0.169,1385 0.094,1386 12.317,1387 6.861,1388 10.665,1389 0.102,1390 0.051,1391 10.665,1392 5.357,1393 9.137,1394 0.064,1395 0.028,1396 9.137,1397 4.006,1398 0.282,1399 96.548,1400 0.202,1401 29.32,1402 0.543,1403 176,1404 427.094,1405 189.359,1406 418,1407 585.77,1408 394,1409 213,1410 442.951,1411 226.975,1412 452.105,1413 667.88,1414 425,1415 5.449}
{0 CHEMBL440983,1 1.463,2 15.7,3 5.056,4 25.559,5 158.401,6 7.062,7 0.489,8 4.42,9 4.552,10 3.946,11 3.98,12 5.431,13 3.946,14 4.992,15 5.176,16 4.304,17 4.403,18 5.973,19 4.337,20 5.307,21 5.549,22 4.426,23 4.552,24 6.304,25 4.463,26 5.288,27 5.518,28 4.352,29 4.528,30 6.229,31 4.437,32 5.297,33 5.518,34 4.291,35 4.547,36 6.245,37 4.436,38 5.371,39 5.619,40 4.175,41 4.549,42 6.24,43 4.391,44 5.387,45 5.684,46 4.038,47 4.421,48 6.176,49 4.243,50 5.199,51 5.505,52 4.013,53 4.182,54 6.108,55 4.064,56 0.063,57 1.15,58 16.543,59 6.906,60 8.603,61 9.573,62 0.258,63 1.905,64 31.218,65 12.063,66 28.567,67 17.263,68 0.633,69 2.422,70 45.91,71 15.984,72 84.102,73 23.479,74 0.495,75 2.4,76 44.769,77 14.899,78 58.237,79 21.741,80 0.558,81 2.383,82 44.935,83 15.568,84 67.627,85 22.392,86 0.541,87 2.453,88 49.097,89 18.134,90 67.188,91 26.163,92 0.467,93 2.349,94 52.071,95 18.058,96 59.536,97 26.936,98 0.414,99 1.891,100 44.106,101 13.843,102 52.229,103 20.832,104 5,105 62,106 0.223,107 0.524,108 0.64,109 0.712,110 0.752,111 0.752,112 3.717,113 0.969,114 -3.43,115 -3.41,116 -3.26,121 42.1,123 8,127 4,144 8,145 4,146 2,148 4,160 2,176 16,180 8,183 2,185 4,187 18,191 1,192 8,195 2,196 3,197 4,200 12,206 4,209 2,211 8,214 12,222 2,224 8,227 16,235 2,236 2,237 4,239 12,244 4,247 2,249 8,251 4,256 8,261 8,268 2,269 12,273 1,274 4,281 3224,282 27.88,283 27.88,284 27.88,285 27.88,286 27.88,287 25.058,288 30.581,289 16.82,290 28.185,291 22.273,292 22.273,293 22.273,294 22.273,295 22.273,296 17.708,297 32.508,298 7.983,299 22.734,300 4.785,301 2.816,302 2.053,303 1.579,304 1.316,305 1.316,306 4.439,312 1,313 1416,314 4.359,318 598.899,322 685.722,325 2.39,326 34.991,329 0.75,330 0.67,331 0.67,332 0.7,333 0.5,334 0.83,335 1,336 0.73,337 85,338 628,339 4.64,340 3.822,341 6.829,342 4.207,343 3.226,344 4.564,345 1.058,346 11.348,347 3.162,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 4.564,354 1.058,355 11.348,356 3.162,357 4.035,358 3.361,359 5.982,360 3.727,361 2.71,362 3.437,363 0.4,364 8.37,365 2.738,366 3.914,367 2.896,368 5.982,369 3.524,370 2.532,371 3.437,372 0.4,373 8.37,374 2.512,375 3.914,376 2.669,377 5.872,378 3.524,379 2.532,380 3.333,382 7.931,383 2.512,384 3.522,385 2.668,386 5.381,387 3.133,388 2.181,389 2.893,391 6.711,392 2.075,393 3.521,394 2.356,395 5.381,396 3.129,397 2.175,398 2.892,400 6.711,401 2.072,402 2.947,403 2.355,404 4.148,405 2.697,406 1.741,407 2.142,409 3.966,410 1.655,411 2.939,412 1.826,413 4.116,414 2.53,415 1.554,416 2.142,418 3.463,419 1.517,420 2.92,421 1.822,422 4.116,423 2.511,424 1.522,425 1.92,427 3.329,428 1.504,429 2.652,430 1.561,431 3.951,432 2.437,433 1.462,434 1.686,436 3.329,437 1.418,438 2.616,439 1.561,440 3.907,441 2.345,442 1.347,443 1.642,445 3.329,446 1.343,447 2.513,448 1.442,449 3.638,450 2.345,451 1.347,452 1.511,454 3.062,455 1.343,456 2.492,457 1.441,458 3.594,459 2.242,460 1.247,461 1.489,463 2.902,464 1.24,465 2.475,466 1.35,467 3.594,468 2.242,469 1.247,470 1.472,472 2.902,473 1.24,474 19.067,475 0.477,476 0.743,477 0.019,478 50,479 1.25,480 24,481 0.6,482 26,483 0.65,484 39.36,485 0.984,486 42.733,487 0.562,488 39.314,489 0.983,490 9.261,491 0.232,492 10.425,493 0.261,494 0.035,496 0.315,501 0.78,502 1.256,503 0.84,504 1.038,505 0.547,506 0.953,507 0.701,508 1.232,509 0.927,510 1.098,511 0.536,512 1.044,513 0.739,514 0.968,515 0.847,516 0.89,517 0.631,518 0.878,519 1.25,520 1.063,521 1.105,522 0.996,523 1.119,524 1.019,525 1.27,526 1.092,527 1.25,528 1.108,529 1.234,530 1.164,531 0.873,532 1.108,533 1.186,534 1.216,535 0.922,536 1.24,537 0.764,538 0.978,539 0.936,540 1.02,541 0.719,542 1.001,543 1.094,544 0.823,545 0.726,546 0.764,547 1.07,548 0.702,549 5,550 0.248,551 4.444,552 2.75,553 2.48,554 0.819,555 0.478,556 0.354,557 0.51,558 0.437,559 32869,560 71069,561 2.182,562 47.4,563 12,564 16,567 4,568 4,572 1.793,573 2.105,574 3.816,575 1.382,582 111.215,583 1.463,584 3.432,585 4.195,586 4.669,587 4.932,588 4.932,589 3.041,590 3.722,591 5.304,592 4.128,593 3219.82,594 9.314,595 61210.4,600 474.842,601 1.141,602 5.28,603 0.111,604 0.006,605 0.072,606 0.04,607 0.04,608 0.014,609 0.01,610 0.009,611 0.012,612 0.009,613 0.324,614 0.17,615 0.75,616 0.349,617 231.289,618 -0.052,619 -0.048,620 0.049,621 0.033,622 -0.002,623 0.051,624 0.083,625 -0.111,626 -0.001,627 -0.067,628 0.074,629 -0.048,630 0.212,631 0.064,632 0.135,633 0.088,634 0.196,635 0.1,636 -0.14,637 0.005,638 -0.116,639 -0.034,640 -0.128,641 -0.065,642 -0.152,643 -0.035,644 -0.27,645 -0.127,646 -0.145,647 -0.2,648 0.012,649 -0.129,650 -0.215,651 -0.216,652 -0.047,653 -0.243,654 0.065,655 -0.074,656 0.065,657 -0.05,658 0.04,659 -0.001,660 0.061,661 0.07,662 0.319,663 0.17,664 0.108,665 0.269,666 2.282,667 5.44,668 0.7,669 45.54,670 0.994,671 1.127,672 2.2,673 4.84,674 0.663,675 3.829,676 4.143,677 4.466,678 4.762,679 5.05,680 5.118,681 5.257,682 5.38,683 5.464,684 5.333,685 9.909,686 0.624,687 536.74,688 3.829,689 5.371,690 6.236,691 7.119,692 8.004,693 8.896,694 9.789,695 10.686,696 11.583,697 12.482,698 7.9,703 2,705 2,708 2,714 4,715 8,716 2,720 6,722 22,734 2,741 76,743 24,744 2,745 45,747 81,748 32,749 18,750 4,751 8,752 2,756 6,757 12,767 8,770 8,772 20,773 12,777 2,782 2,786 2,793 36,794 8,795 4,796 8,802 6,808 0.333,809 2,822 2,829 6,833 4,843 2,859 2,868 40,876 12,877 4,893 2.6,896 2,901 19,902 13.4,903 8.833,904 5.096,907 4.603,908 1.513,909 1.028,910 8.221,911 13.571,912 4.078,913 4.682,914 5.323,915 5.933,916 6.549,917 6.879,918 7.263,919 7.617,920 7.927,921 7.766,922 0.9,923 68,924 14.917,926 6.454,927 0.026,929 7.6,931 29.19,933 24.854,936 2.1,937 84,941 376.675,942 140.751,943 105.614,945 50.29,948 140.751,949 426.965,950 105.614,952 64.721,953 75.81,954 129.292,955 26.832,957 376.675,959 376.675,960 246.365,961 50.29,964 376.675,965 50.29,968 74.522,969 102.25,970 69.593,972 376.675,973 155.904,974 140.751,977 376.675,978 64.941,979 75.81,980 72.043,981 83.861,982 376.675,983 155.904,984 140.751,986 0.573,987 0.346,988 0.197,989 0.113,990 30,991 12,992 0.111,993 9,994 4,995 1.286,996 5.163,997 396.163,998 0.286,999 28,1000 172.877,1005 26.678,1006 12.326,1007 5.846,1008 4.178,1009 155.904,1010 16.332,1011 9.752,1015 7.121,1017 72.043,1018 673.33,1019 58,1024 24.881,1028 -1.231,1031 75.519,1032 85.637,1034 0.234,1035 0.549,1036 0.671,1037 0.747,1038 0.789,1039 0.789,1040 5.316,1041 1.741,1042 6.201,1043 6.711,1044 4.828,1045 5.371,1046 1.812,1047 7.026,1048 4.789,1049 6.508,1050 1.554,1051 7.76,1052 3.966,1053 4.29,1054 5.231,1056 7.966,1057 4.254,1058 7.82,1059 1.522,1060 9.429,1061 3.463,1062 6.418,1063 7.632,1064 1.812,1065 11.127,1066 6.345,1067 9.175,1068 1.462,1069 11.167,1070 3.329,1071 6.781,1072 8.392,1074 12.949,1075 6.709,1076 10.57,1077 1.347,1078 12.949,1079 3.329,1080 8.321,1081 10.252,1082 1.893,1083 15.616,1084 8.218,1085 11.993,1086 1.347,1087 14.761,1088 3.329,1089 9.113,1090 11.418,1092 17.788,1093 9.003,1094 13.437,1095 1.247,1096 16.594,1097 3.062,1098 10.415,1099 13.069,1100 1.987,1101 20.296,1102 10.279,1103 3.226,1104 1.247,1105 18.442,1106 2.902,1107 11.409,1108 14.425,1110 22.613,1111 11.259,1112 3.226,1113 11.348,1114 20.302,1115 2.902,1116 12.617,1117 15.993,1118 2.086,1119 25.067,1120 12.445,1121 2.71,1122 11.348,1123 22.171,1124 4.564,1125 13.705,1126 17.436,1128 27.447,1129 13.512,1130 2.532,1131 8.37,1132 24.047,1133 4.564,1134 14.88,1135 18.972,1136 2.186,1137 29.883,1138 14.666,1139 2.532,1140 8.37,1141 25.93,1142 3.437,1143 16.009,1144 20.455,1146 32.29,1147 15.773,1148 2.181,1149 7.931,1150 27.817,1151 3.437,1152 17.175,1153 21.979,1154 2.287,1155 34.721,1156 16.917,1157 2.175,1158 6.711,1159 29.709,1160 3.333,1161 18.324,1162 23.481,1164 37.139,1165 18.044,1166 29659,1167 43818,1168 31.205,1169 50.364,1170 66.821,1171 69.364,1172 68.328,1173 66.653,1174 66.667,1175 85.783,1176 5.833,1177 189.544,1178 65.38,1179 5.608,1180 5.822,1181 6.515,1182 5.262,1183 5.226,1184 7.564,1185 2.117,1186 18.879,1187 5.162,1188 12.105,1189 1.485,1190 1.541,1191 1.518,1192 1.481,1193 1.481,1194 1.906,1195 0.13,1196 4.212,1197 1.453,1198 4.135,1199 4.167,1200 4.093,1201 4.06,1202 7.499,1203 4.064,1204 4.088,1205 4.118,1206 4.052,1207 4.018,1208 7.353,1209 4.023,1210 3.75,1211 3.799,1212 3.686,1213 3.652,1214 4.989,1215 3.638,1216 3.732,1217 3.78,1218 3.617,1219 3.649,1220 4.954,1221 3.635,1222 3.73,1223 3.78,1224 3.616,1225 3.498,1226 4.416,1227 3.533,1228 3.572,1229 3.658,1230 3.424,1231 3.362,1232 4.412,1233 3.364,1234 3.408,1235 3.461,1236 3.297,1237 3.21,1238 4.286,1239 3.224,1240 3.245,1241 3.308,1242 3.118,1243 3.113,1244 4.259,1245 3.105,1246 0.103,1247 0.085,1248 0.152,1249 0.093,1250 0.072,1251 4.64,1252 0.101,1253 3.822,1254 0.024,1255 6.829,1256 0.252,1257 4.207,1258 0.07,1259 3.226,1260 4.564,1261 1.058,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.158,1267 2.163,1268 1.434,1269 2.163,1270 2.071,1271 2.046,1272 2.158,1273 2.162,1274 1.434,1275 2.163,1276 1.754,1277 1.709,1278 1.949,1279 1.905,1280 1.16,1281 1.903,1282 1.754,1283 1.709,1284 1.949,1285 1.873,1286 1.159,1287 1.902,1288 1.637,1289 1.58,1290 1.841,1291 1.872,1292 1.056,1293 1.881,1294 1.54,1295 1.459,1296 1.796,1297 1.786,1298 1.04,1299 1.795,1300 1.33,1301 1.287,1302 1.493,1303 1.582,1304 0.755,1305 1.555,1306 1.241,1307 1.185,1308 1.466,1309 1.416,1310 0.754,1311 1.429,1312 4.511,1314 5.826,1316 7.357,1318 8.996,1320 10.695,1328 10.437,1329 12.53,1340 47.46,1341 111.215,1342 260.803,1343 318.842,1344 354.842,1345 374.842,1346 374.842,1347 69.837,1348 8.968,1349 108.04,1350 108.04,1351 36,1352 13.005,1353 4.644,1354 3.807,1355 57.795,1356 248,1357 160,1358 0.11,1359 286.994,1360 496.3,1361 692.027,1362 153053,1364 27.313,1365 0.683,1366 0.57,1367 27.313,1368 22.815,1369 19.687,1370 0.437,1371 0.323,1372 14.397,1373 19.158,1374 14.164,1375 11.665,1376 19.687,1377 14.536,1378 17.156,1379 0.277,1380 0.172,1381 17.156,1382 10.638,1383 15.148,1384 0.176,1385 0.093,1386 15.148,1387 7.969,1388 12.901,1389 0.111,1390 0.052,1391 12.901,1392 6.037,1393 11.186,1394 0.072,1395 0.03,1396 11.186,1397 4.61,1398 0.181,1399 121.908,1400 0.179,1401 36.76,1402 0.278,1403 214,1404 538.093,1405 229.419,1406 527.628,1407 738.08,1408 498,1409 255,1410 553.667,1411 271.281,1412 560.233,1413 830.14,1414 534,1415 8.177}
{0 CHEMBL441632,1 1.553,2 10.875,3 3.797,4 14.419,5 97.412,6 7.783,7 0.615,8 3.873,9 3.969,10 3.532,11 3.468,12 4.975,13 3.417,14 4.396,15 4.557,16 3.89,17 3.85,18 5.413,19 3.778,20 4.53,21 4.674,22 3.951,23 3.966,24 5.621,25 3.865,26 4.628,27 4.811,28 3.812,29 3.931,30 5.639,31 3.799,32 4.605,33 4.832,34 3.712,35 3.804,36 5.574,37 3.672,38 4.423,39 4.615,40 3.603,41 3.737,42 5.484,43 3.589,44 4.398,45 4.625,46 3.478,47 3.638,48 5.433,49 3.458,50 4.175,51 4.385,52 3.328,53 3.428,54 5.18,55 3.322,56 0.004,57 0.578,58 9.126,59 4.503,60 6.22,61 5.364,62 0.207,63 0.951,64 18.874,65 7.498,66 17.852,67 8.72,68 0.263,69 1.074,70 22.842,71 9.292,72 26.961,73 10.743,74 0.188,75 1.15,76 26.554,77 10.442,78 30.21,79 12.356,80 0.286,81 1.102,82 27.439,83 9.846,84 32.893,85 11.867,86 0.177,87 0.956,88 22.393,89 8.584,90 30.041,91 9.999,92 0.407,93 0.924,94 24.612,95 8.817,96 43.297,97 10.62,98 0.155,99 0.727,100 17.205,101 6.205,102 19.507,103 7.685,104 21,105 36,106 0.269,107 0.593,108 0.74,109 0.802,110 0.81,111 0.817,112 3.228,113 1,114 -3.57,115 -3.55,116 -3.38,121 43.2,123 2,126 3,144 5,145 2,146 2,147 2,154 2,159 1,176 6,180 3,187 9,189 2,191 1,192 6,200 7,203 1,206 5,214 3,216 1,219 6,227 5,229 1,239 7,243 2,244 2,246 1,251 4,256 2,264 4,266 2,269 2,279 1,281 824,282 16.273,283 16.273,284 16.273,285 16.273,286 16.273,287 14.296,288 16.106,289 9.452,290 16.866,291 12.691,292 12.691,293 12.691,294 12.691,295 12.691,296 9.495,297 14.306,298 4.341,299 13.457,300 3.907,301 2.031,302 1.179,303 0.824,304 0.779,305 0.733,306 3.908,310 1,311 1,312 1,313 554,314 3.24,317 53.951,318 152.517,321 102.086,325 1.729,326 18.502,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 51.5,338 261,339 4.565,340 3.615,341 6.437,342 4.067,343 3.12,344 4.502,345 1.277,346 10.099,347 2.95,348 4.088,349 3.241,350 6.068,351 3.717,352 2.752,353 3.62,354 0.86,355 8.762,356 2.669,357 4.005,358 2.772,359 5.708,360 3.573,361 2.609,362 3.568,363 0.86,364 7.485,365 2.516,366 3.698,367 2.706,368 5.406,369 3.293,370 2.323,371 3.046,373 7.105,374 2.226,375 3.408,376 2.289,377 4.889,378 3.018,379 2.075,380 2.696,382 5.69,383 1.944,384 3.178,385 2.215,386 4.717,387 2.698,388 1.771,389 2.471,391 5.118,392 1.628,393 2.699,394 1.653,395 4.111,396 2.24,397 1.278,398 1.708,400 3.475,401 1.207,402 2.5,403 1.427,404 3.943,405 1.984,406 1.136,407 1.5,409 2.841,410 0.983,411 2.399,412 1.102,413 3.414,414 1.983,415 1,416 1.376,418 2.275,419 0.946,420 1.83,421 1.001,422 3.045,423 1.539,424 0.525,425 0.641,427 1.183,428 0.524,429 1.554,430 1,431 2.887,432 1.208,433 0.356,434 0.391,436 0.484,437 0.301,438 1.485,439 0.518,440 2.739,441 1.121,442 0.241,443 0.311,445 0.458,446 0.209,447 1.096,448 0.293,449 2.404,450 0.773,451 -0.217,452 -0.265,454 -0.461,455 -0.213,456 0.771,457 -0.288,458 2.31,459 0.294,460 -0.664,461 -0.869,463 -1.543,464 -0.615,465 0.625,466 -0.361,467 2,468 0.18,469 -0.709,470 -0.909,472 -1.835,473 -0.621,474 11.733,475 0.489,476 0.571,477 0.024,478 30.5,479 1.271,480 15.5,481 0.646,482 15,483 0.625,484 19.214,485 0.801,486 25.767,487 0.586,488 21.076,489 0.878,490 6.107,491 0.254,492 5.494,493 0.229,494 0.156,496 0.332,501 0.769,502 1.215,503 0.742,504 1.009,505 0.594,506 0.955,507 1.255,508 0.72,509 0.835,510 0.671,511 0.757,512 0.688,513 0.915,514 1.085,515 1.095,516 1.153,517 1.109,518 1.086,519 0.974,520 1.205,521 1.148,522 1.27,523 1.251,524 1.199,525 1.105,526 0.912,527 0.962,528 0.957,529 0.879,530 0.908,531 1.06,532 1.103,533 1.258,534 1.193,535 1.696,536 1.13,537 0.488,538 0.994,539 1.254,540 1.184,541 0.906,542 1.028,543 1.02,544 1.036,545 0.969,546 1.025,547 0.911,548 0.934,549 5.5,550 0.134,551 2.889,552 1.417,553 1.552,554 0.813,555 0.481,556 0.334,557 0.159,558 0.116,559 6571,560 17075,561 2.04,562 45.5,563 2,564 14,566 2,568 2,572 1.665,573 1.895,574 3.42,575 -0.782,577 1,582 68.311,583 1.553,584 3.428,585 4.28,586 4.635,587 4.681,588 4.726,589 2.928,590 3.918,591 4.554,592 3.568,593 984.879,594 7.84,595 11791.2,597 1,599 1,600 240.215,601 1.459,602 4.507,603 0.212,604 0.01,605 0.08,606 0.039,607 0.052,608 0.03,609 0.02,610 0.016,611 0.008,612 0.007,613 0.474,614 0.33,615 1,616 0.921,617 115.44,618 -0.003,619 -0.145,620 0.078,621 -0.035,622 -0.023,623 -0.009,624 -0.169,625 0.34,626 0.132,627 0.317,628 -0.034,629 0.255,630 0.054,631 -0.058,632 -0.063,633 -0.093,634 -0.043,635 -0.114,636 -0.041,637 -0.234,638 -0.12,639 -0.231,640 -0.119,641 -0.209,642 -0.05,643 0.044,644 0.074,645 0.042,646 0.073,647 0.08,648 -0.111,649 -0.097,650 -0.14,651 -0.111,652 -0.115,653 -0.137,654 0.364,655 -0.005,656 -0.024,657 -0.045,658 0.245,659 0.004,660 -0.036,661 -0.072,662 0.02,663 -0.039,664 0.088,665 0.05,666 1.498,667 5.506,668 0.625,669 22.556,670 1.001,671 1.113,672 2.343,673 5.491,674 0.688,675 3.296,676 3.611,677 3.871,678 4.094,679 4.331,680 4.382,681 4.443,682 4.564,683 4.477,684 4.357,685 6.367,686 0.644,687 342.47,688 3.296,689 4.828,690 5.673,691 6.544,692 7.41,693 8.286,694 9.161,695 10.04,696 10.92,697 11.803,698 2.3,708 1,714 2,715 7,719 1,720 4,721 1,722 16,727 1,739 2,741 44,743 17,744 1,745 26,747 46,748 19,749 13,750 4,751 2,752 1,756 3,757 4,770 2,772 14,773 5,777 1,782 1,786 1,790 1,793 20,794 3,796 5,797 1,802 1,803 1,808 0.667,809 3,822 1,828 1,829 2,832 1,859 2,862 1,864 3,868 24,876 2,878 2,888 1,893 6.8,896 1,898 2,901 12.667,902 9,903 5.417,904 2.535,907 2.971,908 1.422,909 0.973,910 5.266,911 10.005,912 3.584,913 4.216,914 4.825,915 5.411,916 5.983,917 6.291,918 6.612,919 6.993,920 6.963,921 6.937,922 1,923 36,924 8.864,926 3.663,927 0.026,929 7.688,931 17.019,933 13.634,936 2.188,937 52.5,940 1,941 235.422,942 155.468,943 1.899,945 47.145,947 31.278,948 124.191,949 282.567,950 1.899,951 30.162,952 5.069,953 47.381,954 55.72,955 56.34,956 2.104,957 243.158,959 235.422,960 126.09,961 47.145,962 31.278,964 235.422,965 47.145,968 23.164,969 101.027,970 1.899,971 31.278,972 235.422,973 49.044,974 155.468,977 235.422,978 59.83,979 97.538,981 47.145,982 235.422,983 49.044,984 155.468,986 0.577,987 0.345,988 0.178,989 0.102,990 17,991 8,992 0.13,993 6,994 1,995 1.133,996 3.643,997 188.389,998 0.133,999 15,1000 106.039,1001 1,1005 17.057,1006 7.409,1007 3.843,1008 2.037,1009 47.145,1010 13.873,1014 1.502,1015 3.314,1016 1.984,1018 439.934,1019 35,1024 12.506,1028 0.169,1031 44.054,1032 48.991,1034 0.284,1035 0.628,1036 0.784,1037 0.849,1038 0.857,1039 0.866,1040 4.804,1041 1.136,1042 5.659,1043 3.475,1044 4.29,1045 4.902,1046 1.977,1047 6.454,1048 4.187,1049 6.026,1050 1,1051 7.213,1052 2.841,1053 3.892,1054 4.796,1056 7.31,1057 3.751,1058 7.343,1059 0.525,1060 8.86,1061 2.275,1062 5.878,1063 7.167,1064 2.142,1065 10.363,1066 5.691,1067 8.698,1068 0.356,1069 10.559,1070 1.183,1071 6.275,1072 7.871,1074 12.008,1075 6.034,1076 10.081,1077 0.241,1078 12.291,1079 0.484,1080 7.73,1081 9.725,1082 2.426,1083 14.575,1084 7.458,1085 11.485,1086 -0.217,1087 14.045,1088 0.458,1089 8.491,1090 10.814,1092 16.563,1093 8.154,1094 12.904,1095 -0.664,1096 15.815,1097 -0.461,1098 9.735,1099 12.458,1100 2.796,1101 18.956,1102 9.366,1103 3.12,1104 -0.709,1105 17.598,1106 -1.543,1107 10.675,1108 13.747,1110 21.105,1111 10.237,1112 2.752,1113 10.099,1114 19.39,1115 -1.835,1116 11.833,1117 15.3,1118 3.22,1119 23.433,1120 11.358,1121 2.609,1122 8.762,1123 21.19,1124 4.502,1125 12.862,1126 16.693,1128 25.659,1129 12.318,1130 2.323,1131 7.485,1132 22.997,1133 3.62,1134 13.988,1135 18.21,1136 3.675,1137 27.964,1138 13.399,1139 2.075,1140 7.105,1141 24.809,1142 3.568,1143 15.061,1144 19.656,1146 30.228,1147 14.407,1148 1.771,1149 5.69,1150 26.627,1151 3.046,1152 16.178,1153 21.159,1154 4.146,1155 32.528,1156 15.473,1157 1.278,1158 5.118,1159 28.448,1160 2.696,1161 17.275,1162 22.632,1164 34.811,1165 16.507,1166 6443,1167 10529,1168 17.107,1169 30.25,1170 38.513,1171 40.063,1172 40.325,1173 38.267,1174 38.372,1175 51.66,1176 5.995,1177 109.946,1178 36.203,1179 5.437,1180 5.615,1181 5.978,1182 5.183,1183 5.12,1184 7.502,1185 2.555,1186 16.854,1187 4.95,1188 12.659,1189 1.481,1190 1.541,1191 1.551,1192 1.472,1193 1.476,1194 1.987,1195 0.231,1196 4.229,1197 1.392,1198 4.095,1199 4.096,1200 4.339,1201 4.11,1202 7.427,1203 4.061,1204 3.957,1205 4.003,1206 3.892,1207 3.843,1208 4.969,1209 3.847,1210 3.625,1211 3.651,1212 3.628,1213 3.486,1214 4.79,1215 3.49,1216 3.41,1217 3.451,1218 3.376,1219 3.251,1220 4.527,1221 3.239,1222 3.249,1223 3.314,1224 3.079,1225 2.967,1226 4.496,1227 2.97,1228 3.176,1229 3.244,1230 3.032,1231 2.958,1232 4.013,1233 2.962,1234 2.977,1235 3.065,1236 2.896,1237 2.796,1238 3.777,1239 2.764,1240 2.854,1241 2.925,1242 2.74,1243 2.771,1244 3.674,1245 2.721,1246 0.176,1247 0.139,1248 0.248,1249 0.156,1250 0.12,1251 4.565,1252 0.173,1253 3.615,1254 0.049,1255 6.437,1256 0.388,1257 4.067,1258 0.113,1259 3.12,1260 4.502,1261 1.277,1262 10.099,1263 2.95,1264 1.928,1265 1.903,1266 2.06,1267 2.075,1268 1.247,1269 2.073,1270 1.908,1271 1.886,1272 1.963,1273 1.987,1274 1.14,1275 1.983,1276 1.632,1277 1.617,1278 1.78,1279 1.781,1280 0.962,1281 1.791,1282 1.338,1283 1.286,1284 1.582,1285 1.537,1286 0.682,1287 1.553,1288 1.221,1289 1.175,1290 1.572,1291 1.516,1292 0.582,1293 1.534,1294 1.186,1295 1.108,1296 1.504,1297 1.448,1298 0.574,1299 1.487,1300 1.076,1301 0.998,1302 1.347,1303 1.265,1304 0.523,1305 1.324,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 3.97,1314 5.283,1315 2.398,1316 6.788,1317 4.727,1318 8.378,1319 6.843,1320 10.013,1322 5.208,1328 1.259,1330 10.646,1340 28.358,1341 68.311,1342 150.848,1343 188.341,1344 203.95,1345 205.95,1346 207.95,1347 38.827,1348 7.034,1349 39.41,1350 67.65,1351 17,1352 12.338,1353 4.17,1354 3.322,1355 39.49,1356 91,1357 96,1358 0.213,1359 178.803,1360 303.56,1361 428.04,1362 10117,1364 17.104,1365 0.713,1366 0.621,1367 17.458,1368 14.905,1369 11.601,1370 0.446,1371 0.333,1372 7.786,1373 10.661,1374 7.421,1375 6.215,1376 12.009,1377 8.664,1378 10.24,1379 0.284,1380 0.19,1381 10.882,1382 6.848,1383 8.775,1384 0.187,1385 0.111,1386 9.612,1387 5.198,1388 6.816,1389 0.116,1390 0.062,1391 7.688,1392 3.68,1393 5.699,1394 0.076,1395 0.035,1396 6.51,1397 2.651,1398 0.338,1399 77.193,1400 0.242,1401 23.691,1402 0.571,1403 124,1404 366.4,1405 159.232,1406 367.713,1407 499.91,1408 346,1409 145,1410 343.442,1411 179.187,1412 367.342,1413 532.79,1414 342,1415 5.602}
{0 CHEMBL441808,1 1.433,2 15.618,3 4.058,4 16.465,5 137.579,6 6.896,7 0.432,8 4.317,9 4.431,10 3.851,11 3.872,12 5.306,13 3.809,14 4.907,15 5.089,16 4.229,17 4.307,18 5.796,19 4.215,20 5.207,21 5.412,22 4.304,23 4.502,24 6.098,25 4.362,26 5.374,27 5.637,28 4.228,29 4.513,30 6.219,31 4.337,32 5.319,33 5.584,34 4.202,35 4.44,36 6.143,37 4.276,38 5.232,39 5.473,40 4.044,41 4.411,42 6.096,43 4.225,44 5.218,45 5.499,46 3.888,47 4.287,48 6.047,49 4.077,50 4.99,51 5.248,52 3.859,53 4.097,54 5.895,55 3.946,56 0.055,57 0.939,58 16.939,59 7.496,60 12.637,61 9.645,62 0.286,63 1.604,64 32.931,65 12.647,66 24.033,67 16.44,68 0.451,69 2.072,70 46.162,71 17.7,72 48.101,73 23.127,74 0.521,75 2.315,76 55.472,77 20.398,78 74.741,79 27.432,80 0.511,81 2.155,82 52.874,83 18.796,84 60.987,85 25.2,86 0.392,87 2.036,88 49.488,89 18.382,90 56.656,91 23.871,92 0.615,93 1.924,94 48.531,95 17.608,96 69.29,97 23.711,98 0.367,99 1.523,100 37.031,101 13.264,102 51.401,103 17.587,104 30,105 52,106 0.225,107 0.532,108 0.746,109 0.822,110 0.833,111 0.838,112 3.56,113 1.063,114 -1.01,115 -1.11,116 -1.2,121 40,123 5,124 1,126 3,127 3,129 1,144 8,145 2,146 2,154 2,159 1,176 12,180 3,185 2,187 16,189 3,191 1,192 5,197 1,200 11,203 3,206 5,209 1,211 1,214 4,216 3,219 5,224 4,227 11,229 2,232 1,237 1,239 10,243 2,244 4,249 2,250 1,251 12,253 1,264 12,269 2,271 1,272 2,274 1,277 8,281 2186,282 22.911,283 22.911,284 22.911,285 22.911,286 22.911,287 20.958,288 22.181,289 13.375,290 23.566,291 18.136,292 18.136,293 18.136,294 18.136,295 18.136,296 15.028,297 25.013,298 6.225,299 19.053,300 4.696,301 2.748,302 1.386,303 0.9,304 0.832,305 0.804,306 4.253,312 1,313 1145,314 4.301,317 89.05,318 378.828,321 168.715,325 2.464,326 30.461,329 1,330 0.67,331 0.83,332 1,333 1,334 1,335 1,336 0.93,337 72.5,338 531,339 4.565,340 3.679,341 6.998,342 4.22,343 3.303,344 4.502,345 1.277,346 11.915,347 3.034,348 4.326,349 3.626,350 6.438,351 4.069,352 3.122,353 3.576,354 1.26,355 10.105,356 2.953,357 4.088,358 3.241,359 6.077,360 3.732,361 2.766,362 3.531,363 0.86,364 8.798,365 2.677,366 3.808,367 2.726,368 5.729,369 3.493,370 2.51,371 3.16,372 0.86,373 7.583,374 2.477,375 3.732,376 2.617,377 5.362,378 3.393,379 2.42,380 3.062,381 0.245,382 7.001,383 2.34,384 3.439,385 2.548,386 5.263,387 3.306,388 2.323,389 2.471,391 6.701,392 2.255,393 3.178,394 2.313,395 4.975,396 3.023,397 2.063,398 2.46,400 5.835,401 1.966,402 3.163,403 2.215,404 4.717,405 2.698,406 1.771,407 2.2,409 5.118,410 1.627,411 2.87,412 1.651,413 3.962,414 2.437,415 1.439,416 2.02,418 3.087,419 1.435,420 2.596,421 1.534,422 3.943,423 2.107,424 1.136,425 1.532,427 3.037,428 1.081,429 2.5,430 1.427,431 3.802,432 2,433 1.126,434 1.5,436 2.841,437 1,438 2.399,439 1.077,440 3.709,441 1.984,442 1,443 1.376,445 2.372,446 0.983,447 2,448 1.003,449 3.331,450 1.978,451 1,452 1,454 2.136,455 0.94,456 1.742,457 1,458 3.247,459 1.67,460 0.686,461 0.712,463 1.581,464 0.669,465 1.554,466 0.864,467 3.053,468 1.21,469 0.363,470 0.395,472 0.49,473 0.305,474 16.567,475 0.487,476 0.872,477 0.026,478 37.5,479 1.103,480 16.5,481 0.485,482 21,483 0.618,484 37.348,485 1.098,486 38.333,487 0.548,488 27.628,489 0.813,490 7.027,491 0.207,492 9.36,493 0.275,494 0.131,495 0.024,496 0.272,501 0.838,502 1.285,503 0.848,504 1.092,505 0.731,506 1.052,507 1.163,508 0.918,509 0.922,510 0.847,511 0.724,512 0.885,513 0.893,514 1.155,515 1.064,516 1.141,517 0.972,518 1.14,519 0.712,520 1.031,521 0.911,522 1.023,523 0.737,524 0.997,525 0.938,526 0.914,527 0.845,528 0.905,529 0.922,530 0.902,531 0.956,532 1.127,533 1.228,534 1.204,535 1.325,536 1.153,537 0.582,538 0.974,539 0.981,540 1.03,541 0.86,542 0.99,543 1.187,544 0.899,545 0.883,546 0.872,547 1.483,548 0.893,549 8.5,550 0.171,551 3.778,552 2.292,553 2.414,554 0.896,555 0.9,556 0.545,557 0.25,558 0.291,559 19612,560 44090,561 2.052,562 51.4,563 3,564 24,567 1,568 2,569 6,572 1.753,573 1.915,574 3.91,575 -0.421,582 100.327,583 1.433,584 3.381,585 4.743,586 5.229,587 5.297,588 5.326,589 3.388,590 4.264,591 5.06,592 4.108,593 2304.42,594 8.83,595 38021.9,600 429.05,601 1.533,602 5.01,603 0.23,604 0.006,605 0.073,606 0.044,607 0.051,608 0.02,609 0.023,610 0.017,611 0.008,612 0.01,613 0.481,614 0.33,615 0.88,616 0.797,617 187.537,618 -0.011,619 -0.104,620 0.073,621 -0.005,622 -0.034,623 0.014,624 -0.128,625 0.207,626 0.063,627 0.176,628 -0.003,629 0.118,630 0.017,631 -0.102,632 -0.07,633 -0.105,634 -0.016,635 -0.126,636 0.092,637 -0.06,638 0.053,639 -0.046,640 0.132,641 -0.005,643 0.044,644 0.112,645 0.049,646 0.022,647 0.074,648 -0.075,649 -0.125,650 -0.162,651 -0.153,652 -0.115,653 -0.147,654 0.207,655 -0.033,656 0.018,657 -0.046,658 0.119,659 -0.003,660 -0.06,661 0.051,662 0.065,663 0.06,664 -0.041,665 0.068,666 1.922,667 5.829,668 0.618,669 42.817,670 0.992,671 1.122,672 -0.222,673 0.049,674 0.654,675 3.638,676 3.97,677 4.205,678 4.443,679 4.673,680 4.7,681 4.796,682 4.927,683 4.804,684 4.787,685 9.098,686 0.604,687 482.72,688 3.638,689 5.187,690 6.028,691 6.909,692 7.769,693 8.652,694 9.52,695 10.406,696 11.279,697 12.166,698 1.4,712 1,714 2,715 8,719 1,720 4,722 16,727 1,739 2,741 70,743 17,744 2,745 37,747 73,748 28,749 14,750 5,751 7,752 1,756 4,757 5,767 2,768 1,770 6,772 15,773 13,774 1,777 1,782 1,786 1,793 36,794 4,795 1,796 6,797 1,802 1,803 1,807 1,808 0.75,809 4,811 1,828 1,829 3,832 1,857 1,859 3,862 1,864 3,868 34,875 1,876 8,878 2,880 2,883 1,888 1,893 5.7,894 1,896 1,898 2,901 17.75,902 13.2,903 7.542,904 4.365,907 2.735,908 1.345,909 0.925,910 8.282,911 10.661,912 3.85,913 4.416,914 4.95,915 5.51,916 6.037,917 6.325,918 6.671,919 7.03,920 6.907,921 6.801,922 1,923 52,924 12.687,926 5.371,927 0.026,929 7.608,931 24.875,933 20.934,936 2.108,937 71.667,941 411.989,942 179.723,945 89.828,947 31.278,948 148.445,949 501.817,951 30.162,952 18.99,953 118.493,954 30.278,955 38.245,956 2.104,957 443.266,959 411.989,960 148.445,961 89.828,962 31.278,964 341.362,965 117.771,966 42.683,968 18.99,969 129.456,971 31.278,972 411.989,973 89.828,974 179.723,977 411.989,978 73.751,979 105.972,981 89.828,982 411.989,983 89.828,984 179.723,986 0.581,987 0.338,988 0.178,989 0.101,990 24,991 11,992 0.137,993 10,994 1,995 1.095,996 4.587,997 302.396,998 0.095,999 21,1000 164.974,1001 1,1005 25.154,1006 11.194,1007 6.395,1008 1.939,1009 89.828,1010 16.417,1014 1.444,1015 3.381,1017 42.683,1018 681.54,1019 46,1024 12.829,1028 0.002,1031 69.45,1032 78.522,1034 0.234,1035 0.552,1036 0.774,1037 0.853,1038 0.864,1039 0.869,1040 5.106,1041 1.771,1042 6.038,1043 5.835,1044 4.654,1045 5.103,1046 2.271,1047 6.862,1048 4.561,1049 6.306,1050 1.439,1051 7.61,1052 5.118,1053 4.369,1054 4.966,1055 0.931,1056 7.974,1057 4.197,1058 7.62,1059 1.136,1060 9.286,1061 3.087,1062 6.308,1063 7.272,1064 2.428,1065 10.965,1066 6.116,1067 8.967,1068 1.126,1069 11.025,1070 3.037,1071 6.825,1072 7.952,1073 1.381,1074 12.896,1075 6.527,1076 10.346,1077 1,1078 12.805,1079 2.841,1080 8.262,1081 9.775,1082 2.737,1083 15.473,1084 7.943,1085 11.746,1086 1,1087 14.614,1088 2.372,1089 9.131,1090 10.848,1091 1.783,1092 17.722,1093 8.699,1094 13.163,1095 0.686,1096 16.444,1097 2.136,1098 10.385,1099 12.478,1100 3.126,1101 20.193,1102 9.916,1103 3.303,1104 0.363,1105 18.292,1106 1.581,1107 11.416,1108 13.757,1109 2.192,1110 22.567,1111 10.838,1112 3.122,1113 11.915,1114 20.152,1115 0.49,1116 12.606,1117 15.305,1118 3.559,1119 25.018,1120 11.973,1121 2.766,1122 10.105,1123 22.023,1124 4.502,1125 13.711,1126 16.693,1127 2.615,1128 27.443,1129 12.978,1130 2.51,1131 8.798,1132 23.904,1133 3.576,1134 14.881,1135 18.207,1136 4.015,1137 29.895,1138 14.08,1139 2.42,1140 7.583,1141 25.792,1142 3.531,1143 16.021,1144 19.651,1145 3.05,1146 32.342,1147 15.126,1148 2.323,1149 7.001,1150 27.687,1151 3.16,1152 17.188,1153 21.154,1154 4.483,1155 34.8,1156 16.217,1157 2.063,1158 6.701,1159 29.588,1160 3.062,1161 18.346,1162 22.627,1163 3.495,1164 37.259,1165 17.285,1166 18597,1167 28188,1168 24.444,1169 45.796,1170 55.107,1171 56.338,1172 57.037,1173 54.643,1174 54.69,1175 67.778,1176 9.005,1177 158.506,1178 52.047,1179 5.565,1180 5.679,1181 6.8,1182 5.337,1183 5.303,1184 7.502,1185 2.555,1186 18.68,1187 5.034,1188 17.829,1189 1.489,1190 1.523,1191 1.542,1192 1.477,1193 1.478,1194 1.832,1195 0.243,1196 4.284,1197 1.407,1198 4.099,1199 4.111,1200 4.34,1201 4.111,1202 7.427,1203 4.062,1204 4.01,1205 4.055,1206 3.92,1207 3.897,1208 6.448,1209 3.894,1210 3.845,1211 3.885,1212 3.744,1213 3.756,1214 4.969,1215 3.746,1216 3.711,1217 3.753,1218 3.645,1219 3.558,1220 4.757,1221 3.563,1222 3.531,1223 3.564,1224 3.523,1225 3.39,1226 4.527,1227 3.382,1228 3.386,1229 3.436,1230 3.284,1231 3.213,1232 4.496,1233 3.206,1234 3.249,1235 3.314,1236 3.079,1237 2.968,1238 4.37,1239 2.97,1240 3.171,1241 3.233,1242 3.021,1243 2.963,1244 3.993,1245 2.962,1246 0.123,1247 0.099,1248 0.189,1249 0.114,1250 0.089,1251 4.565,1252 0.122,1253 3.679,1254 0.035,1255 6.998,1256 0.322,1257 4.22,1258 0.082,1259 3.303,1260 4.502,1261 1.277,1262 11.915,1263 3.034,1264 1.973,1265 1.926,1266 2.148,1267 2.14,1268 1.548,1269 2.147,1270 1.908,1271 1.903,1272 2.021,1273 1.988,1274 1.276,1275 1.987,1276 1.859,1277 1.817,1278 1.965,1279 1.963,1280 1.141,1281 1.981,1282 1.709,1283 1.681,1284 1.892,1285 1.877,1286 1.127,1287 1.887,1288 1.514,1289 1.475,1290 1.698,1291 1.677,1292 0.951,1293 1.695,1294 1.327,1295 1.272,1296 1.583,1297 1.538,1298 0.825,1299 1.554,1300 1.222,1301 1.176,1302 1.572,1303 1.516,1304 0.762,1305 1.534,1306 1.186,1307 1.109,1308 1.513,1309 1.456,1310 0.596,1311 1.493,1312 4.317,1314 5.645,1315 2.398,1316 7.16,1317 4.727,1318 8.757,1319 6.843,1320 10.398,1322 5.565,1327 10.588,1328 7.639,1330 10.73,1332 0.046,1335 1.086,1340 42.287,1341 100.327,1342 236.668,1343 332.03,1344 366.03,1345 370.785,1346 372.785,1347 75.088,1348 7.926,1349 55.76,1350 84,1351 23,1352 12.7,1353 4.17,1354 3.322,1355 57.468,1356 189,1357 174,1358 0.145,1359 261.737,1360 455.69,1361 630.399,1362 36014,1364 24.131,1365 0.71,1366 0.627,1367 24.485,1368 21.327,1369 16.386,1370 0.443,1371 0.354,1372 12.202,1373 15.355,1374 11.752,1375 9.779,1376 16.795,1377 13.114,1378 14.917,1379 0.287,1380 0.216,1381 15.56,1382 11.214,1383 12.269,1384 0.186,1385 0.13,1386 13.106,1387 8.551,1388 9.884,1389 0.118,1390 0.075,1391 10.746,1392 6.299,1393 8.125,1394 0.077,1395 0.046,1396 8.978,1397 4.922,1398 0.239,1399 106.566,1400 0.202,1401 32.372,1402 0.369,1403 178,1404 450.55,1405 216.03,1406 449.215,1407 607.8,1408 422,1409 207,1410 416.715,1411 244.514,1412 442.698,1413 642.71,1414 413,1415 5.18}
{0 CHEMBL441868,1 1.44,2 6.059,3 2.496,4 6.231,5 68.194,6 7.103,7 0.789,8 3.576,9 3.697,10 3.119,11 3.123,12 4.664,13 3.097,14 4.088,15 4.279,16 3.517,17 3.532,18 5.085,19 3.502,20 4.261,21 4.421,22 3.612,23 3.721,24 5.297,25 3.662,26 4.443,27 4.649,28 3.477,29 3.762,30 5.365,31 3.642,32 4.458,33 4.728,34 3.178,35 3.598,36 5.307,37 3.423,38 4.251,39 4.545,40 2.763,41 3.264,42 5.092,43 3.057,44 3.9,45 4.219,46 2.112,47 2.73,48 4.771,49 2.479,50 3.3,51 3.644,52 1.264,53 1.986,54 4.127,55 1.715,56 0.032,57 0.467,58 6.993,59 2.87,60 7.428,61 3.88,62 0.102,63 0.766,64 12.641,65 4.512,66 11.152,67 6.424,68 0.132,69 0.9,70 14.686,71 5.856,72 14.346,73 7.95,74 0.114,75 1.027,76 18.265,77 7.213,78 15.42,79 10.159,80 0.194,81 0.96,82 19.865,83 7.435,84 21.475,85 10.796,86 0.125,87 0.732,88 16.639,89 6.145,90 22.302,91 8.891,92 0.197,93 0.462,94 12.409,95 4.217,96 25.917,97 6.031,98 0.102,99 0.234,100 6.984,101 2.199,102 16.152,103 3.144,104 17,105 29,106 0.268,107 0.604,108 0.731,109 0.801,110 0.847,111 0.847,112 2.912,113 0.911,114 -2.78,115 -2.8,116 -2.71,121 43.8,122 1,126 2,144 4,145 2,146 1,147 1,148 1,154 2,176 4,180 3,185 2,187 4,189 2,192 4,194 1,197 2,200 5,203 1,211 1,214 4,216 1,222 1,224 1,227 3,229 2,239 1,241 1,249 1,250 1,281 222,282 11.207,283 11.207,284 11.207,285 11.207,286 11.207,287 9.329,288 9.075,289 6.235,290 11.455,291 9.313,292 9.313,293 9.313,294 9.313,295 9.313,296 6.525,297 8.269,298 2.922,299 9.717,300 3.56,301 1.754,302 1.071,303 0.696,304 0.446,305 0.446,306 3.579,311 1,312 1,313 221,314 2,317 21.19,318 59.401,321 85.551,325 0.9,326 8.561,328 1,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 36,338 103,339 4.866,340 3.444,341 7.135,342 4.366,343 3.398,344 4.98,346 12.391,347 3.291,348 4.143,349 2.852,350 6.216,351 3.679,352 2.722,353 3.835,355 8.974,356 2.604,357 3.669,358 2.508,359 5.608,360 3.219,361 2.283,362 3.116,364 6.948,365 2.129,366 3.539,367 2.147,368 5.386,369 3.058,370 2.086,371 3,373 6.416,374 2.022,375 3.214,376 1.89,377 4.923,378 2.737,379 1.787,380 2.51,382 5.442,383 1.691,384 2.705,385 1.431,386 4.16,387 2.247,388 1.268,389 1.796,391 3.331,392 1.24,393 2.376,394 1.059,395 3.744,396 1.948,397 0.978,398 1.331,400 2.445,401 0.946,402 1.461,403 0.442,404 2.826,405 1.15,406 0.181,407 0.22,409 0.405,410 0.175,411 1.104,412 0.068,413 2.811,414 0.67,415 -0.259,416 -0.325,418 -0.61,419 -0.238,420 0.947,421 -0.165,422 2.482,423 0.616,424 -0.345,425 -0.436,427 -0.908,428 -0.33,429 0.626,430 -0.732,431 2.352,432 0.153,433 -0.825,434 -1.149,436 -2.385,437 -0.799,438 0.134,439 -0.974,440 2,441 -0.237,442 -1.161,443 -1.5,445 -3.078,446 -1.072,447 -0.004,448 -1.109,449 1.743,450 -0.391,451 -1.314,452 -1.669,454 -3.35,455 -1.213,456 -0.161,457 -1.234,458 1.498,459 -0.431,460 -1.39,461 -1.85,463 -4.078,464 -1.333,465 -0.259,466 -1.493,467 1.332,468 -0.656,469 -1.592,470 -2.178,472 -4.691,473 -1.492,474 8.133,475 0.478,476 0.58,477 0.034,478 22.75,479 1.338,480 11.5,481 0.676,482 11.25,483 0.662,484 11.882,485 0.699,486 17.967,487 0.561,488 14.603,489 0.859,490 4.588,491 0.27,492 3.504,493 0.206,494 0.225,496 0.467,501 1.003,502 1.374,503 0.836,504 1.05,505 1.016,506 0.945,507 0.992,508 0.899,509 0.704,510 0.659,511 0.495,512 0.628,513 1.056,514 1.053,515 1.021,516 1.01,517 0.925,518 1.008,519 0.845,520 1.268,521 1.191,522 1.277,523 0.716,524 1.271,525 0.655,526 0.996,527 1.06,528 1.109,529 0.613,530 1.123,531 0.812,532 1.029,533 1.012,534 1.124,535 0.876,536 1.1,537 1.262,538 0.744,539 1.018,540 0.885,541 1.773,542 0.936,543 1.736,544 0.593,545 0.982,546 0.698,547 2.139,548 0.763,549 3.5,551 2.667,552 2.299,553 1.293,554 0.712,555 0.223,556 0.1,559 2001,560 4548,561 2.056,562 46.9,564 10,566 1,567 1,568 3,572 1.578,573 1.855,574 2.629,575 -0.314,577 1,578 1,579 1,582 46.094,583 1.44,584 3.246,585 3.929,586 4.304,587 4.554,588 4.554,589 2.133,590 3.735,591 4.062,592 2.661,593 361.92,594 6.909,595 3115.99,596 1,597 1,599 1,600 160,601 1.522,602 3.984,603 0.184,605 0.092,606 0.074,607 0.052,608 0.042,609 0.022,610 0.025,613 0.491,614 1,615 1,616 0.732,617 67.212,618 -0.055,619 -0.232,620 0.056,621 -0.04,622 -0.163,623 0.005,624 -0.072,625 0.236,626 0.236,627 0.301,628 0.106,629 0.311,630 -0.095,631 0.055,632 -0.11,633 -0.018,634 -0.074,635 -0.059,636 -0.103,637 -0.24,638 -0.278,639 -0.295,640 -0.084,641 -0.305,642 0.076,643 -0.06,644 -0.1,645 -0.143,646 0.056,647 -0.139,648 0.031,649 -0.168,650 -0.022,651 -0.16,652 0.059,653 -0.106,654 0.09,655 0.039,656 0.046,657 0.058,658 -0.086,659 0.043,660 -0.136,661 0.14,662 0.133,663 0.222,664 -0.121,665 0.207,666 1.351,667 3.608,668 0.765,669 8.533,670 0.993,671 1.122,672 1.554,673 2.414,674 0.669,675 2.996,676 3.401,677 3.761,678 4.094,679 4.369,680 4.466,681 4.554,682 4.605,683 4.394,684 4.078,685 3.697,686 0.631,687 227.31,688 2.996,689 4.575,690 5.476,691 6.405,692 7.33,693 8.265,694 9.197,695 10.134,696 11.069,697 12.007,698 6.3,706 1,708 1,714 4,715 5,720 2,721 2,722 15,738 1,741 32,743 15,744 1,745 19,747 34,748 14,749 11,750 3,751 3,756 3,757 6,763 1,772 11,773 3,790 1,793 15,794 1,795 1,796 3,802 2,803 1,808 0.333,809 1,822 1,824 1,828 1,829 2,832 2,859 1,864 3,868 17,875 1,893 3.1,895 1,901 9.167,902 6.817,903 3.611,904 1.885,907 3.254,908 1.49,909 0.997,910 2.164,911 9.893,912 3.314,913 4.099,914 4.856,915 5.598,916 6.265,917 6.732,918 7.215,919 7.664,920 7.808,921 7.926,922 1,923 31,924 6.254,926 2.661,927 0.026,929 7.618,931 12.127,933 10.146,936 2.118,937 36,938 0.003,941 164.795,942 84.761,943 3.798,945 42.683,948 84.761,949 207.479,950 3.798,951 25.618,953 37.905,954 56.354,955 18.849,956 4.288,957 153.024,959 164.795,960 88.56,961 42.683,964 164.795,965 42.683,968 22.528,969 64.132,970 1.899,972 164.795,973 46.482,974 84.761,977 164.795,978 12.191,979 76.369,981 42.683,982 164.795,983 46.482,984 84.761,986 0.607,987 0.377,988 0.208,989 0.121,990 17,991 8,994 2,995 1.308,996 2.788,997 131.087,998 0.308,999 13,1000 67.487,1005 10.599,1006 3.471,1007 1.37,1008 4.655,1009 42.683,1010 9.684,1015 1.538,1016 4.292,1017 42.683,1018 296.038,1019 26.5,1031 31.774,1032 35.905,1034 0.288,1035 0.649,1036 0.786,1037 0.861,1038 0.911,1039 0.911,1040 4.572,1041 0.181,1042 5.517,1043 2.445,1044 4.078,1045 4.783,1047 6.438,1048 3.999,1049 5.865,1050 -0.259,1051 7.152,1052 0.405,1053 3.892,1054 4.913,1056 7.542,1057 3.755,1058 7.24,1059 -0.345,1060 8.886,1061 -0.61,1062 5.778,1063 7.245,1065 10.72,1066 5.628,1067 8.656,1068 -0.825,1069 10.676,1070 -0.908,1071 6.382,1072 8.19,1074 12.658,1075 6.182,1076 10.104,1077 -1.161,1078 12.502,1079 -2.385,1080 7.81,1081 10.046,1083 15.389,1084 7.596,1085 11.576,1086 -1.314,1087 14.353,1088 -3.078,1089 8.766,1090 11.364,1092 17.677,1093 8.511,1094 13.069,1095 -1.39,1096 16.224,1097 -3.35,1098 10.04,1099 13.049,1101 20.262,1102 9.765,1103 3.398,1104 -1.592,1105 18.111,1106 -4.078,1107 11.148,1108 14.533,1110 22.69,1111 10.838,1112 2.722,1113 12.391,1114 20.01,1115 -4.691,1116 12.375,1117 16.159,1119 25.227,1120 12.04,1121 2.283,1122 8.974,1123 21.92,1124 4.98,1125 13.546,1126 17.713,1128 27.709,1129 13.179,1130 2.086,1131 6.948,1132 23.839,1133 3.835,1134 14.762,1135 19.32,1137 30.23,1138 14.366,1139 1.787,1140 6.416,1141 25.765,1142 3.116,1143 15.96,1144 20.903,1146 32.733,1147 15.533,1148 1.268,1149 5.442,1150 27.697,1151 3,1152 17.175,1153 22.506,1155 35.25,1156 16.719,1157 0.978,1158 3.331,1159 29.635,1160 2.51,1161 18.385,1162 24.101,1164 37.761,1165 17.898,1166 2027,1167 3127,1168 12.255,1169 21.415,1170 29.631,1171 29.575,1172 31.609,1173 29.481,1174 29.405,1175 41.573,1177 92.702,1178 28.194,1179 5.366,1180 5.444,1181 6.421,1182 5.402,1183 5.398,1184 7.98,1186 20.018,1187 5.291,1188 9.153,1189 1.56,1190 1.557,1191 1.664,1192 1.552,1193 1.548,1194 2.188,1196 4.879,1197 1.484,1198 4.24,1199 4.271,1200 4.214,1201 4.151,1202 6.471,1203 4.163,1204 3.766,1205 3.814,1206 3.699,1207 3.637,1208 4.981,1209 3.646,1210 3.403,1211 3.474,1212 3.295,1213 3.183,1214 4.516,1215 3.2,1216 3.21,1217 3.277,1218 3.066,1219 3.083,1220 4.073,1221 3.07,1222 3.095,1223 3.203,1224 2.847,1225 2.888,1226 3.943,1227 2.865,1228 2.847,1229 2.909,1230 2.652,1231 2.671,1232 3.763,1233 2.651,1234 2.791,1235 2.875,1236 2.564,1237 2.603,1238 3.541,1239 2.582,1240 2.427,1241 2.499,1242 2.211,1243 2.219,1244 3.326,1245 2.206,1246 0.256,1247 0.181,1248 0.376,1249 0.23,1250 0.179,1251 4.866,1252 0.262,1253 3.444,1255 7.135,1256 0.652,1257 4.366,1258 0.173,1259 3.398,1260 4.98,1262 12.391,1263 3.291,1264 1.994,1265 1.972,1266 2.074,1267 2.112,1268 1.25,1269 2.101,1270 1.898,1271 1.86,1272 1.996,1273 2.029,1274 1.14,1275 2.023,1276 1.365,1277 1.281,1278 1.649,1279 1.629,1280 0.727,1281 1.638,1282 1.231,1283 1.17,1284 1.555,1285 1.417,1286 0.616,1287 1.469,1288 1.134,1289 1.036,1290 1.485,1291 1.387,1292 0.556,1293 1.423,1294 0.845,1295 0.775,1296 1.14,1297 1.086,1298 0.207,1299 1.096,1300 0.766,1301 0.71,1302 0.994,1303 0.995,1304 0.102,1305 1.011,1306 0.578,1307 0.493,1308 0.866,1309 0.815,1311 0.84,1312 3.664,1314 5.043,1315 2.398,1316 6.632,1317 4.949,1318 8.317,1319 7.235,1320 10.052,1322 6.222,1327 9.608,1340 20.182,1341 46.094,1342 103.861,1343 125.735,1344 137.735,1345 145.735,1346 145.735,1347 18.314,1348 6.639,1349 29.04,1350 29.04,1351 17,1352 12.504,1353 4,1354 3.087,1355 23.483,1356 40,1357 34,1358 0.335,1359 124.367,1360 197.25,1361 295.216,1362 5285,1364 12.154,1365 0.715,1366 0.605,1367 12.154,1368 10.281,1369 8.092,1370 0.426,1371 0.304,1372 5.687,1373 7.812,1374 5.428,1375 4.559,1376 8.092,1377 5.767,1378 7.76,1379 0.268,1380 0.161,1381 7.76,1382 4.664,1383 7.004,1384 0.167,1385 0.087,1386 7.004,1387 3.669,1388 5.927,1389 0.1,1390 0.044,1391 5.927,1392 2.603,1393 4.99,1394 0.064,1395 0.023,1396 4.99,1397 1.822,1398 0.48,1399 50.412,1400 0.286,1401 16.277,1402 1.074,1403 96,1404 224.128,1405 102.6,1406 223.902,1407 319.55,1408 210,1409 119,1410 251.453,1411 126.517,1412 258.748,1413 381.85,1414 243,1415 5.721}
{0 CHEMBL442046,1 1.562,2 4.769,3 1.613,4 2.601,5 48.336,6 7.964,7 0.429,8 3.203,9 3.304,10 2.819,11 2.8,12 4.4,13 2.788,14 3.706,15 3.85,16 3.192,17 3.17,18 4.923,19 3.144,20 3.9,21 4.072,22 3.246,23 3.203,24 5.341,25 3.172,26 3.797,27 3.971,28 3,29 3.086,30 5.027,31 3.023,32 3.795,33 4.011,34 2.596,35 2.77,36 5.098,37 2.678,38 3.409,39 3.686,40 1.447,41 2.049,42 4.62,43 1.869,44 2.31,45 2.648,46 0.321,47 0.871,48 3.332,49 0.684,56 0.032,57 0.3,58 3.777,59 1.986,60 5.515,61 2.362,62 0.101,63 0.48,64 7.265,65 3.408,66 15.307,67 4.3,68 0.257,69 0.543,70 10.065,71 4.045,72 51.45,73 5.137,74 0.1,75 0.494,76 8.686,77 3.765,78 18.741,79 4.729,80 0.216,81 0.452,82 10.248,83 3.423,84 38.921,85 4.219,86 0.263,87 0.275,88 8.441,89 2.144,90 49.269,91 2.649,92 0.098,93 0.074,94 3.174,95 0.74,96 20.276,97 1.015,104 11,105 20,106 0.325,107 0.709,108 0.819,109 0.864,110 0.864,111 0.864,112 2.672,113 0.903,114 -2.82,115 -2.83,116 -2.75,121 45.5,122 1,123 1,144 3,145 2,146 1,159 1,160 1,176 6,180 1,183 1,185 2,187 7,191 1,192 2,195 1,197 2,200 5,206 5,211 2,214 2,219 5,224 1,227 1,232 1,281 128,282 8.715,283 8.715,284 8.715,285 8.715,286 8.715,287 7.78,288 11.644,289 4.976,290 8.72,291 6.806,292 6.806,293 6.806,294 6.806,295 6.806,296 5.211,297 15.82,298 2.225,299 6.786,300 2.898,301 1.051,302 0.523,303 0.307,304 0.307,305 0.307,306 3.302,311 1,312 1,313 127,314 1.871,317 21.579,318 27.656,321 41.731,325 0.627,326 16.872,329 1,330 0.83,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.85,337 28.5,338 62,339 4.571,340 3.899,341 6.87,342 4.242,343 3.237,344 4.203,345 1.058,346 11.384,347 3.252,348 3.736,349 3.011,350 5.599,351 3.371,352 2.35,353 3.075,355 7.062,356 2.391,357 3.316,358 2.735,359 5.152,360 2.954,361 1.96,362 2.565,364 5.926,365 1.939,366 2.896,367 2.234,368 4.435,369 2.452,370 1.431,371 1.999,373 3.88,374 1.452,375 2.556,376 1.349,377 3.554,378 2.117,379 1.104,380 1.449,382 2.479,383 1.111,384 1.652,385 0.874,386 2.782,387 1.431,388 0.411,389 0.484,391 0.637,392 0.417,393 1.272,394 0.455,395 2.457,396 0.822,397 -0.235,398 -0.346,400 -0.558,401 -0.246,402 0.76,403 -0.016,404 2.272,405 0.401,406 -0.613,407 -0.779,409 -1.275,410 -0.621,411 0.543,412 -0.57,413 2,414 0.091,415 -0.934,416 -1.268,418 -2.321,419 -0.945,420 0.09,421 -1.011,422 1.548,423 -0.297,424 -1.373,425 -1.919,427 -3.799,428 -1.483,429 -0.482,430 -1.309,431 1.264,432 -0.636,433 -1.631,434 -2,436 -4.27,437 -1.624,438 -0.5,439 -1.561,440 1.091,441 -0.785,442 -1.786,443 -2.219,445 -5.354,446 -1.765,447 -0.583,448 -1.81,449 0.567,450 -0.962,451 -1.92,452 -2.243,454 -6.733,455 -1.877,456 -0.827,457 -2,458 0.409,459 -1,460 -2,461 -3,462 -1.058,463 -7.057,464 -2,474 6.067,475 0.467,476 0.35,477 0.027,478 17.5,479 1.346,480 9.5,481 0.731,482 8,483 0.615,484 7.34,485 0.565,486 13.733,487 0.624,488 10.284,489 0.791,490 3.419,491 0.263,492 2.817,493 0.217,494 0.192,496 0.412,501 0.583,502 1.076,503 0.703,504 0.945,505 0.513,506 0.858,507 0.482,508 1.083,509 0.662,510 0.987,511 0.527,512 0.891,513 0.638,514 0.944,515 0.738,516 0.934,517 0.686,518 0.874,519 0.786,520 1.271,521 1.004,522 1.296,523 0.763,524 1.218,525 1.421,526 1.15,527 1.352,528 1.228,529 1.373,530 1.263,531 2.063,532 0.595,533 1.613,534 0.695,535 2.037,536 0.984,537 1.952,539 1.029,540 0.01,541 2.099,542 0.276,549 2.5,551 1.778,552 1.604,553 0.733,554 0.341,559 887,560 2824,561 1.992,562 40.9,563 5,564 3,567 1,572 1.494,573 1.814,574 2.346,575 -0.202,579 1,582 34.359,583 1.562,584 3.409,585 3.936,586 4.152,587 4.152,588 4.152,589 1.669,590 3.239,591 3.675,592 2.327,593 181.478,594 6.129,595 1348.41,597 1,600 98.107,601 1.549,602 3.601,603 0.179,605 0.089,606 0.08,607 0.049,608 0.043,613 0.439,614 1,615 1,616 1.057,617 45.555,618 -0.048,619 0.022,620 0.013,621 0.047,622 -0.043,623 0.048,624 0.137,625 -0.055,626 0.15,627 -0.001,628 0.047,629 0.056,630 0.264,631 0.027,632 0.183,633 0.034,634 0.216,635 0.079,636 -0.029,637 -0.32,638 -0.121,639 -0.328,640 -0.007,641 -0.261,642 -0.229,643 -0.246,644 -0.314,645 -0.315,646 -0.158,647 -0.326,648 -0.491,649 0.255,650 -0.389,651 0.19,652 -0.421,653 -0.023,654 -0.337,655 0.702,656 0.392,657 0.935,658 -0.366,659 0.84,666 2.184,667 4.364,668 0.692,669 5.089,670 1.013,671 1.117,672 1.594,673 2.542,674 0.68,675 2.708,676 3.045,677 3.367,678 3.638,679 3.738,680 3.584,681 3.466,682 3.332,683 2.773,684 1.946,685 3.101,686 0.662,687 175.2,688 2.708,689 4.234,690 5.106,691 6.004,692 6.897,693 7.799,694 8.696,695 9.599,696 10.498,697 11.401,698 4.5,705 1,715 3,720 3,722 6,727 1,741 22,743 8,744 1,745 14,747 23,748 10,749 6,750 3,751 3,752 2,756 2,757 3,763 1,770 1,772 8,773 2,777 2,782 2,786 2,793 9,794 3,795 1,796 3,802 1,808 0.5,809 2,828 1,829 1,832 1,843 1,859 1,864 1,868 13,876 1,877 1,893 9.1,896 2,901 7.167,902 4.333,903 2.944,904 1.472,907 1.541,908 1.276,909 0.978,910 1.746,911 7.132,912 2.996,913 3.57,914 4.171,915 4.695,916 5.131,917 5.19,918 5.323,919 5.433,920 5.083,921 4.31,922 1,923 20,924 4.812,925 -0.003,926 2.093,927 0.026,929 8.141,931 8.906,932 -0.001,933 7.271,934 0.001,936 2.641,937 34.333,938 0.005,941 94.169,942 58.755,943 18.011,945 50.29,948 58.755,949 144.459,950 18.011,951 8.825,952 20.545,953 28.429,954 60.128,955 9.128,957 94.169,959 94.169,960 76.765,961 50.29,964 94.169,965 50.29,968 29.37,969 47.395,972 94.169,973 68.301,974 58.755,977 94.169,978 21.501,979 37.254,980 18.011,981 50.29,982 94.169,983 68.301,984 58.755,986 0.583,987 0.374,988 0.21,989 0.107,990 11,991 5,992 0.043,993 1,994 1,995 1.222,996 2.42,997 82.085,998 0.222,999 9,1000 48.106,1005 8.145,1006 2.787,1007 1.089,1009 68.301,1010 5.463,1015 2.13,1017 18.011,1018 221.224,1019 19,1024 22.403,1028 -0.927,1031 22.291,1032 24.578,1034 0.35,1035 0.764,1036 0.883,1037 0.931,1038 0.931,1039 0.931,1040 4.227,1041 -0.613,1042 5.118,1043 -0.558,1044 3.714,1045 4.248,1046 1.176,1047 5.994,1048 3.723,1049 5.448,1050 -0.934,1051 6.725,1052 -1.275,1053 3.434,1054 4.182,1056 7.05,1057 3.468,1058 6.777,1059 -1.373,1060 8.436,1061 -2.321,1062 5.361,1063 6.445,1064 1.255,1065 10.193,1066 5.377,1067 8.147,1068 -1.631,1069 10.207,1070 -3.799,1071 5.916,1072 7.187,1074 12.095,1075 5.957,1076 9.551,1077 -1.786,1078 12.015,1079 -4.27,1080 7.352,1081 8.963,1082 1.338,1083 14.77,1084 7.379,1085 10.98,1086 -1.92,1087 13.849,1088 -5.354,1089 8.274,1090 10.072,1092 17.005,1093 8.319,1094 12.429,1095 -2,1096 15.703,1097 -6.733,1098 9.534,1099 11.659,1100 1.422,1101 19.523,1102 9.573,1103 3.237,1105 17.573,1106 -7.057,1107 10.608,1108 12.938,1110 21.883,1111 10.658,1112 2.35,1113 11.384,1114 19.454,1116 11.809,1117 14.445,1118 1.51,1119 24.346,1120 11.857,1121 1.96,1122 7.062,1123 21.344,1124 4.203,1125 12.943,1126 15.804,1128 26.752,1129 12.999,1130 1.431,1131 5.926,1132 23.242,1133 3.075,1134 14.124,1135 17.274,1136 1.599,1137 29.196,1138 14.182,1139 1.104,1140 3.88,1141 25.146,1142 2.565,1143 15.283,1144 18.671,1146 31.618,1147 15.346,1148 0.411,1149 2.479,1150 27.055,1151 1.999,1152 16.458,1153 20.124,1154 1.69,1155 34.055,1156 16.525,1157 -0.235,1158 0.637,1159 28.967,1160 1.449,1161 17.626,1162 21.541,1164 36.483,1165 17.697,1166 971,1167 1802,1168 8.959,1169 14.96,1170 21.168,1171 22.834,1172 22.649,1173 20.96,1174 20.985,1175 27.549,1176 2.117,1177 62.737,1178 21.122,1179 5.398,1180 5.899,1181 6.461,1182 5.242,1183 5.237,1184 7.203,1185 2.117,1186 18.441,1187 5.252,1188 6.52,1189 1.512,1190 1.631,1191 1.618,1192 1.497,1193 1.499,1194 1.968,1195 0.151,1196 4.481,1197 1.509,1198 4.022,1199 4.042,1200 3.986,1201 3.939,1202 7.499,1203 3.946,1204 3.509,1205 3.556,1206 3.429,1207 3.317,1208 7.352,1209 3.335,1210 3.34,1211 3.39,1212 3.172,1213 3.19,1214 4.71,1215 3.184,1216 2.848,1217 2.909,1218 2.726,1219 2.652,1220 4.048,1221 2.648,1222 2.605,1223 2.616,1224 2.544,1225 2.412,1226 3.877,1227 2.438,1228 2.504,1229 2.57,1230 2.336,1231 2.12,1232 3.417,1233 2.179,1234 2.138,1235 2.275,1236 1.736,1237 1.82,1238 2.982,1239 1.779,1240 1.847,1241 1.917,1242 1.605,1243 1.309,1244 2.551,1245 1.376,1246 0.326,1247 0.279,1248 0.491,1249 0.303,1250 0.231,1251 4.571,1252 0.3,1253 3.899,1254 0.076,1255 6.87,1256 0.813,1257 4.242,1258 0.232,1259 3.237,1260 4.203,1261 1.058,1262 11.384,1263 3.252,1264 1.918,1265 1.896,1266 2.03,1267 1.996,1268 1.221,1269 2.008,1270 1.438,1271 1.386,1272 1.727,1273 1.67,1274 0.846,1275 1.671,1276 1.336,1277 1.311,1278 1.407,1279 1.59,1280 0.333,1281 1.556,1282 0.942,1283 0.891,1284 1.124,1285 1.164,1286 0.202,1287 1.152,1288 0.711,1289 0.638,1290 1.066,1291 0.941,1292 0.13,1293 0.989,1294 0.271,1295 0.145,1296 0.772,1297 0.627,1299 0.68,1302 0.375,1303 0.347,1305 0.3,1308 0.183,1309 0.266,1311 0.233,1312 3.367,1314 4.691,1315 2.398,1316 6.232,1317 4.844,1318 7.871,1319 7.018,1320 9.561,1322 1.964,1328 0.768,1329 2.533,1340 14.558,1341 34.359,1342 74.988,1343 86.598,1344 91.353,1345 91.353,1346 91.353,1347 20.899,1348 5.591,1349 49.93,1350 49.93,1351 11,1352 11.921,1353 3.17,1354 2.585,1355 18.935,1356 24,1357 23,1358 0.438,1359 92.057,1360 161.32,1361 216.379,1362 1329,1364 9.422,1365 0.725,1366 0.558,1367 9.422,1368 7.256,1369 6.236,1370 0.445,1371 0.301,1372 4.168,1373 6.046,1374 4.056,1375 3.381,1376 6.236,1377 4.213,1378 5.509,1379 0.275,1380 0.149,1381 5.509,1382 2.976,1383 4.942,1384 0.177,1385 0.079,1386 4.942,1387 2.213,1388 4.093,1389 0.111,1390 0.042,1391 4.093,1392 1.56,1393 3.12,1394 0.076,1395 0.023,1396 3.12,1397 0.956,1398 0.611,1399 38.981,1400 0.334,1401 12.578,1402 1.451,1403 68,1404 225.804,1405 74.372,1406 216.494,1407 288.37,1408 200,1409 82,1410 205.526,1411 88.649,1412 207.659,1413 307.65,1414 196,1415 4}
{0 CHEMBL442361,1 1.289,2 8.333,3 2.109,4 4.448,5 73.64,6 6.378,7 0.632,8 3.692,9 3.823,10 3.136,11 3.22,12 4.701,13 3.167,14 4.224,15 4.429,16 3.435,17 3.591,18 5.111,19 3.521,20 4.447,21 4.644,22 3.468,23 3.796,24 5.313,25 3.666,26 4.656,27 4.935,28 3.331,29 3.819,30 5.391,31 3.631,32 4.589,33 4.873,34 3.202,35 3.759,36 5.314,37 3.548,38 4.476,39 4.78,40 3.082,41 3.564,42 5.192,43 3.363,44 4.164,45 4.42,46 2.818,47 3.273,48 4.988,49 3.114,50 3.917,51 4.194,52 2.431,53 3.032,54 4.671,55 2.807,56 0.043,57 0.507,58 8.994,59 3.65,60 8.503,61 5.137,62 0.158,63 0.816,64 15.799,65 5.558,66 14.208,67 8.03,68 0.12,69 1.007,70 19.294,71 7.861,72 17.106,73 11.133,74 0.165,75 1.156,76 23.743,77 9.363,78 23.091,79 13.613,80 0.171,81 1.074,82 21.996,83 9.157,84 21.478,85 13.268,86 0.119,87 0.915,88 19.714,89 7.975,90 20.406,91 11.481,92 0.187,93 0.655,94 14.948,95 5.373,96 20.012,97 7.452,98 0.059,99 0.521,100 11.145,101 4.685,102 12.789,103 6.642,104 11,105 26,106 0.235,107 0.49,108 0.651,109 0.749,110 0.763,111 0.763,112 2.96,113 0.995,114 -1.1,115 -1.2,116 -1.28,121 42.1,126 3,127 1,144 9,145 1,146 2,176 8,180 2,187 8,189 3,192 2,200 5,203 4,214 2,216 2,221 1,227 6,229 1,239 8,244 1,251 6,256 2,264 2,269 2,281 384,282 11.963,283 11.963,284 11.963,285 11.963,286 11.963,287 10.527,288 14.95,289 7.124,290 12.268,291 9.316,292 9.316,293 9.316,294 9.316,295 9.316,296 7.227,297 20.994,298 3.311,299 9.739,300 3.959,301 2.556,302 1.672,303 1.132,304 1.06,305 1.06,306 3.612,310 1,311 1,312 1,313 310,314 3.082,318 125.604,325 1.37,326 5.951,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 37.5,338 150,339 4.505,340 3.747,341 7.308,342 4.313,343 3.392,344 3.869,345 1.26,346 12.508,347 3.128,348 3.905,349 2.823,350 5.43,351 3.492,352 2.521,353 3.451,354 0.86,355 7.089,356 2.465,357 3.761,358 2.604,359 5.289,360 3.362,361 2.394,362 3.14,363 0.245,364 6.742,365 2.293,366 3.018,367 1.857,368 4.706,369 2.629,370 1.668,371 2.186,373 4.783,374 1.597,375 2.811,376 1.507,377 3.611,378 2.389,379 1.4,380 1.922,382 3.026,383 1.382,384 2.5,385 1.035,386 3.414,387 2,388 1,389 1.5,391 2.275,392 1,393 2.5,394 1,395 3.247,396 2,397 1,398 1.5,400 2.136,401 1,402 1.643,403 1,404 3.147,405 1.361,406 0.497,407 0.552,409 0.759,410 0.425,411 1.106,412 0.183,413 2.759,414 0.852,415 -0.119,416 -0.139,418 -0.313,419 -0.116,420 0.759,421 -0.188,422 2.428,423 0.383,424 -0.55,425 -0.67,427 -1.078,428 -0.506,429 0.5,430 -0.6,431 2,433 -1,434 -1,436 -2.347,437 -0.9,438 0.5,439 -0.837,440 2,442 -1,443 -1.262,445 -2.543,446 -0.964,447 0.33,448 -1,449 1.758,450 -0.033,451 -1,452 -1.5,454 -3,455 -1,457 -1,458 1.555,459 -0.1,460 -1,461 -1.5,463 -3,464 -1,465 -0.427,466 -1.038,467 1.159,468 -0.633,469 -1.513,470 -1.652,472 -4.016,473 -1.317,474 8.733,475 0.485,476 0.471,477 0.026,478 23.5,479 1.306,480 12.5,481 0.694,482 11,483 0.611,484 12.072,485 0.671,486 19.767,487 0.52,488 15.514,489 0.862,490 5.028,491 0.279,492 3.587,493 0.199,494 0.172,495 0.046,496 0.172,501 0.968,502 1.452,503 0.948,504 1.214,505 0.999,506 1.097,507 1.737,508 0.826,509 1.004,510 0.735,511 0.996,512 0.781,513 1.007,514 1.348,515 1.221,516 1.3,517 0.991,518 1.281,519 0.761,520 1.018,521 1.007,522 1.01,523 0.885,524 1.023,525 0.313,526 1.02,527 0.983,528 1.074,529 0.808,530 1.082,531 0.562,532 0.91,533 0.805,534 0.936,535 0.665,536 0.897,537 2.337,538 0.785,539 1.252,540 0.847,541 1.9,542 0.951,543 0.603,544 1.204,545 1.09,546 1.288,547 0.961,548 1.242,549 4.5,550 0.021,551 2.222,552 1.188,553 0.933,554 0.632,555 0.202,556 0.111,557 0.082,558 0.03,559 2659,560 5677,561 1.981,562 52.6,564 20,572 1.586,573 1.846,574 3.046,575 -0.873,577 1,579 1,582 48.983,583 1.289,584 2.692,585 3.576,586 4.116,587 4.188,588 4.188,589 2.51,590 3.461,591 4.139,592 3.144,593 481.029,594 7.021,595 4507.39,596 1,597 1,599 1,600 199.421,601 1.528,602 4.083,603 0.237,604 0.007,605 0.085,606 0.047,607 0.044,608 0.035,609 0.013,610 0.009,611 0.012,612 0.006,613 0.496,614 0.83,615 1,616 0.894,617 76.427,618 0.076,619 -0.272,620 0.069,621 -0.131,622 -0.042,623 -0.049,624 -0.207,625 0.313,626 0.048,627 0.241,628 0.038,629 0.182,630 -0.089,631 -0.277,632 -0.24,633 -0.268,634 -0.116,635 -0.269,636 -0.04,637 -0.043,638 -0.055,639 -0.044,640 -0.063,641 -0.05,642 0.129,643 -0.064,644 -0.059,645 -0.091,646 -0.071,647 -0.092,648 0.107,649 -0.004,650 0.135,651 0.024,652 0.192,653 0.075,654 -0.363,655 0.158,656 -0.206,657 0.09,658 -0.358,659 -0.027,660 0.056,661 -0.292,662 -0.158,663 -0.303,664 -0.038,665 -0.255,666 0.765,667 1.693,668 0.667,669 12.148,670 0.982,671 1.122,672 -0.129,673 0.017,674 0.65,675 2.996,676 3.296,677 3.466,678 3.611,679 3.761,680 3.714,681 3.664,682 3.434,683 3.367,684 3.219,685 4.832,686 0.598,687 242.37,688 2.996,689 4.511,690 5.323,691 6.184,692 7.017,693 7.885,694 8.725,695 9.597,696 10.441,697 11.316,698 2.6,712 1,715 9,720 3,722 12,739 1,741 38,743 12,744 2,745 19,747 39,748 16,749 12,750 3,751 9,756 2,757 2,772 12,773 4,790 1,793 20,794 1,796 2,802 1,803 1,807 1,808 1,809 1,829 2,859 2,864 3,868 18,876 1,878 1,883 1,893 2.6,898 1,901 9.75,902 7.667,903 4.042,904 2.188,907 2.046,908 1.345,909 0.922,910 3.801,911 7.978,912 3.258,913 3.807,914 4.29,915 4.758,916 5.247,917 5.183,918 5.324,919 5.348,920 5.633,921 5.859,922 0.833,923 25,924 6.617,926 2.613,927 0.026,929 7.472,931 12.977,933 10.165,936 1.972,937 35.5,938 0.003,941 235.422,942 126.253,945 11,948 126.253,949 246.422,951 27.676,952 2.106,953 85.286,955 22.186,957 235.422,959 235.422,960 126.253,961 11,964 235.422,965 11,968 2.106,969 124.148,972 235.422,973 11,974 126.253,977 235.422,978 13.291,979 112.962,981 11,982 235.422,983 11,984 126.253,986 0.576,987 0.326,988 0.16,989 0.084,990 12,991 5,992 0.103,993 4,995 1,996 3.02,997 121.512,999 12,1000 65.059,1005 12.811,1006 5.34,1007 3.198,1009 11,1010 18.848,1015 3.524,1018 372.675,1019 25,1031 37.323,1032 42.652,1034 0.246,1035 0.513,1036 0.681,1037 0.784,1038 0.798,1039 0.798,1040 4.466,1041 0.497,1042 5.342,1043 2.136,1044 3.97,1045 4.489,1046 1.598,1047 6.172,1048 3.884,1049 5.675,1050 -0.119,1051 6.927,1052 0.759,1053 3.761,1054 4.182,1055 0.931,1056 7.496,1057 3.547,1058 6.984,1059 -0.55,1060 8.64,1061 -0.313,1062 5.652,1063 6.609,1064 1.592,1065 10.475,1066 5.442,1067 8.331,1068 -1,1069 10.437,1070 -1.078,1071 6.275,1072 7.031,1073 1.381,1074 12.63,1075 5.907,1076 9.71,1077 -1,1078 12.29,1079 -2.347,1080 7.708,1081 8.978,1082 1.781,1083 15.272,1084 7.332,1085 11.113,1086 -1,1087 14.181,1088 -2.543,1089 8.679,1090 9.754,1091 1.783,1092 17.686,1093 8.157,1094 12.534,1095 -1,1096 16.1,1097 -3,1098 9.959,1099 11.461,1100 2.08,1101 20.246,1102 9.398,1103 3.392,1104 -1.513,1105 18.038,1106 -3,1107 11.076,1108 12.44,1109 2.192,1110 22.737,1111 10.389,1112 2.521,1113 12.508,1114 19.989,1115 -4.016,1116 12.308,1117 14.008,1118 2.446,1119 25.274,1120 11.56,1121 2.394,1122 7.089,1123 21.951,1124 3.869,1125 13.485,1126 15.115,1127 2.615,1128 27.79,1129 12.629,1130 1.668,1131 6.742,1132 23.92,1133 3.451,1134 14.704,1135 16.596,1136 2.852,1137 30.32,1138 13.774,1139 1.4,1140 4.783,1141 25.895,1142 3.14,1143 15.906,1144 17.786,1145 3.05,1146 32.842,1147 14.88,1148 1,1149 3.026,1150 27.874,1151 2.186,1152 17.124,1153 19.214,1154 3.282,1155 35.37,1156 16.018,1157 1,1158 2.275,1159 29.855,1160 1.922,1161 18.336,1162 20.459,1163 3.495,1164 37.895,1165 17.141,1166 2720,1167 4026,1168 12.307,1169 24.694,1170 28.231,1171 27.775,1172 28.556,1173 27.766,1174 27.741,1175 36.242,1176 4.73,1177 78.632,1178 26.579,1179 5.328,1180 5.747,1181 7.11,1182 5.313,1183 5.392,1184 6.869,1185 2.12,1186 19.846,1187 5.128,1188 8.422,1189 1.486,1190 1.462,1191 1.503,1192 1.461,1193 1.46,1194 1.907,1195 0.249,1196 4.139,1197 1.399,1198 4.021,1199 4.066,1200 3.952,1201 3.915,1202 4.879,1203 3.918,1204 3.858,1205 3.887,1206 3.789,1207 3.796,1208 4.748,1209 3.791,1210 3.576,1211 3.643,1212 3.453,1213 3.366,1214 4.434,1215 3.377,1216 3.206,1217 3.282,1218 2.998,1219 2.933,1220 4.117,1221 2.935,1222 2.982,1223 3.063,1224 2.793,1225 2.841,1226 3.674,1227 2.819,1228 2.874,1229 3.009,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 3.65,1239 2.715,1240 2.854,1241 2.925,1242 2.499,1243 2.618,1244 3.467,1245 2.57,1246 0.237,1247 0.197,1248 0.385,1249 0.227,1250 0.179,1251 4.505,1252 0.204,1253 3.747,1254 0.066,1255 7.308,1256 0.658,1257 4.313,1258 0.165,1259 3.392,1260 3.869,1261 1.26,1262 12.508,1263 3.128,1264 1.971,1265 1.934,1266 2.098,1267 2.113,1268 1.309,1269 2.111,1270 1.863,1271 1.836,1272 1.986,1273 1.95,1274 1.069,1275 1.964,1276 1.535,1277 1.462,1278 1.778,1279 1.763,1280 0.881,1281 1.771,1282 1.171,1283 1.09,1284 1.559,1285 1.478,1286 0.569,1287 1.507,1288 1.016,1289 0.941,1290 1.417,1291 1.239,1292 0.512,1293 1.308,1294 0.934,1295 0.821,1296 1.35,1297 1.218,1298 0.469,1299 1.268,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.886,1307 0.804,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 3.664,1314 4.963,1316 6.469,1318 8.058,1320 9.687,1322 6.128,1328 0.979,1330 5.193,1335 0.827,1340 22.741,1341 48.983,1342 102.309,1343 135.872,1344 156.402,1345 159.157,1346 159.157,1347 21.526,1348 5.932,1349 9.23,1350 9.23,1351 12,1352 11.862,1353 3.7,1354 2.807,1355 31.031,1356 50,1357 56,1358 0.305,1359 144.151,1360 244.11,1361 343.488,1362 2272,1364 13.01,1365 0.723,1366 0.628,1367 13.01,1368 11.312,1369 8.615,1370 0.453,1371 0.332,1372 6.206,1373 8.325,1374 5.921,1375 5.043,1376 8.615,1377 6.302,1378 7.823,1379 0.301,1380 0.203,1381 7.823,1382 5.275,1383 6.069,1384 0.196,1385 0.108,1386 6.069,1387 3.36,1388 4.654,1389 0.129,1390 0.063,1391 4.654,1392 2.25,1393 3.43,1394 0.082,1395 0.033,1396 3.43,1397 1.392,1398 0.468,1399 53.628,1400 0.285,1401 18.145,1402 0.863,1403 90,1404 202.068,1405 95.321,1406 199.553,1407 275.71,1408 188,1409 102,1410 202.799,1411 108.488,1412 212.221,1413 299.46,1414 196,1415 5}
{0 CHEMBL442813,1 1.419,2 7.056,3 2.03,4 4.12,5 66.414,6 7.696,7 0.3,8 3.596,9 3.674,10 3.186,11 3.129,12 4.731,13 3.131,14 4.153,15 4.274,16 3.647,17 3.538,18 5.359,19 3.543,20 4.442,21 4.577,22 3.625,23 3.657,24 5.648,25 3.625,26 4.516,27 4.747,28 3.396,29 3.579,30 5.504,31 3.485,32 4.218,33 4.461,34 3.189,35 3.35,36 5.195,37 3.248,38 3.94,39 4.096,40 3.009,41 3.103,42 5.161,43 3.041,44 3.883,45 4.142,46 2.731,47 2.875,48 4.897,49 2.755,50 3.498,51 3.644,52 2.405,53 2.503,54 4.772,55 2.478,56 0.07,57 0.403,58 6.281,59 3.323,60 11.62,61 3.739,62 0.24,63 0.676,64 12.415,65 5.6,66 29.322,67 6.603,68 0.504,69 0.854,70 18.087,71 7.01,72 57.766,73 7.975,74 0.597,75 0.9,76 22.454,77 7.657,78 54.761,79 9.957,80 0.21,81 0.701,82 15.769,83 6.077,84 28.74,85 8.323,86 0.328,87 0.51,88 11.175,89 4.233,90 35.064,91 5.036,92 0.26,93 0.477,94 11.889,95 4.145,96 29.009,97 5.824,98 0.285,99 0.293,100 7.805,101 2.335,102 32.876,103 2.392,104 18,105 31,106 0.268,107 0.683,108 0.807,109 0.831,110 0.831,111 0.831,112 2.962,113 0.884,114 -3.14,115 -3.13,116 -3.01,121 43.8,122 2,123 1,129 1,132 1,137 2,144 2,145 2,146 2,160 1,176 5,179 1,180 7,185 2,187 7,192 6,195 1,197 1,200 8,205 1,206 4,211 1,214 5,219 3,224 2,227 5,231 1,232 2,237 1,239 2,244 3,247 1,249 1,251 2,261 1,264 2,269 2,272 1,281 262,282 11.522,283 11.522,284 11.522,285 11.522,286 11.522,287 10.537,288 14.399,289 6.438,290 11.767,291 9.9,292 9.9,293 9.9,294 9.9,295 9.9,296 8.216,297 16.903,298 3.119,299 10.328,300 3.581,301 1.392,302 0.735,303 0.61,304 0.61,305 0.61,306 3.632,311 1,312 1,313 272,314 3,317 28.744,318 67.247,321 48.794,322 56.813,325 1.179,326 23.899,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 40,338 127,339 4.494,340 3.662,341 7.133,342 4.311,343 3.36,344 4.125,345 1.674,346 11.792,347 3.185,348 4.267,349 3.608,350 6.367,351 3.989,352 3.021,353 3.413,354 0.86,355 9.853,356 2.919,357 3.877,358 3.14,359 5.915,360 3.539,361 2.581,362 3.147,364 8.304,365 2.465,366 3.464,367 2.701,368 4.966,369 3.075,370 2.076,371 2.687,373 5.828,374 2.052,375 3.138,376 2.048,377 4.699,378 2.726,379 1.757,380 2.334,382 5.112,383 1.694,384 2.567,385 1.715,386 4.502,387 2.287,388 1.356,389 1.464,391 4.212,392 1.251,393 2.433,394 1.55,395 4.021,396 2.088,397 1.153,398 1.41,400 3.21,401 1.067,402 1.803,403 0.898,404 3.112,405 1.326,406 0.349,407 0.473,409 0.907,410 0.336,411 1.084,412 0.497,413 2.823,414 0.689,415 -0.271,416 -0.349,418 -0.732,419 -0.255,420 0.789,421 -0.266,422 2.629,423 0.443,424 -0.556,425 -0.691,427 -1.626,428 -0.548,429 0.434,430 -0.426,431 2.338,432 0.051,433 -0.903,434 -1,436 -2.644,437 -0.845,438 0.114,439 -0.458,440 2.24,442 -1,443 -1,445 -3,446 -0.867,448 -0.844,449 2,450 -0.126,451 -1,452 -1.087,454 -3,455 -1,457 -1,458 2,459 -0.155,460 -1.17,461 -1.463,463 -3.326,464 -1.178,465 -0.119,466 -1.077,467 1.593,468 -0.33,469 -1.302,470 -1.558,472 -4.457,473 -1.274,474 8.333,475 0.463,476 0.74,477 0.041,478 21.5,479 1.194,480 10,481 0.556,482 11.5,483 0.639,484 14.468,485 0.804,486 19.867,487 0.621,488 13.847,489 0.769,490 4.04,491 0.224,492 4.391,493 0.244,494 0.2,495 0.06,496 0.36,501 0.813,502 1.102,503 0.743,504 1.073,505 0.78,506 0.924,507 0.771,508 1.052,509 0.654,510 1.017,511 0.55,512 0.844,513 1.308,514 1.121,515 1.235,516 1.122,517 1.179,518 1.153,519 0.994,520 0.773,521 0.978,522 0.785,523 0.771,524 0.86,525 0.536,526 1.042,527 0.734,528 1.039,529 0.569,530 0.957,531 1.143,532 1.188,533 1.266,534 1.203,535 1.177,536 1.255,537 0.519,538 1.025,539 0.757,540 1.028,541 0.561,542 0.968,543 2.271,544 0.882,545 1.715,546 0.889,547 2.249,548 1.106,549 6,551 2.444,552 1.285,553 1.588,554 0.441,555 0.517,556 0.188,557 0.168,559 2583,560 7606,561 2.04,562 43.8,564 5,567 1,569 8,572 1.588,573 1.846,574 2.849,575 -0.28,577 1,578 1,579 1,582 45.394,583 1.419,584 3.608,585 4.265,586 4.39,587 4.39,588 4.39,589 2.308,590 3.684,591 4.143,592 2.952,593 451.661,594 7.035,595 4087.62,597 1,599 1,600 160,601 1.772,602 4.059,603 0.3,605 0.079,606 0.046,607 0.072,608 0.025,609 0.037,610 0.019,611 0.024,613 0.601,614 0.83,615 1,616 0.946,617 74.684,618 -0.068,619 -0.007,620 0.036,621 0.004,622 -0.134,623 0.039,624 0.1,625 -0.011,626 0.215,627 0.013,628 0.15,629 0.119,630 -0.164,631 -0.124,632 -0.298,633 -0.146,634 -0.155,635 -0.236,636 -0.045,637 0.164,638 0.038,639 0.163,640 -0.033,641 0.13,642 0.087,643 -0.091,644 0.222,645 -0.059,646 0.108,647 0.083,648 -0.06,649 -0.21,650 -0.315,651 -0.238,652 -0.124,653 -0.324,654 0.236,655 -0.107,656 0.258,657 -0.082,658 0.191,659 0.061,660 -0.588,661 0.054,662 -0.639,663 0.006,664 -0.53,665 -0.267,666 2.147,667 4.16,668 0.722,669 11.062,670 1.015,671 1.117,672 1.908,673 3.642,674 0.661,675 3.045,676 3.466,677 3.689,678 3.97,679 4.277,680 4.394,681 4.5,682 4.7,683 4.682,684 4.489,685 4.341,686 0.642,687 246.28,688 3.045,689 4.635,690 5.493,691 6.412,692 7.298,693 8.214,694 9.111,695 10.025,696 10.928,697 11.842,715 2,720 4,722 6,739 1,741 32,743 8,744 1,745 20,747 34,748 14,749 6,750 4,751 2,752 3,756 3,757 6,763 2,767 2,770 2,772 9,773 5,774 1,777 2,782 1,784 2,786 1,790 1,793 14,794 4,795 1,796 4,808 0.333,809 4,812 1,828 1,829 2,832 1,833 1,846 1,849 2,857 1,859 1,864 2,868 18,875 1,876 1,878 2,880 1,882 1,893 12.5,894 1,896 1,898 2,901 9.75,902 6.367,903 3.639,904 1.883,907 1.741,908 1.259,909 0.907,910 2.42,911 8.475,912 3.258,913 3.861,914 4.36,915 4.904,916 5.508,917 5.831,918 6.157,919 6.536,920 6.683,921 6.522,922 0.8,923 28,924 6.686,926 2.989,927 0.026,929 7.968,931 12.548,933 10.728,936 2.468,937 44.417,938 0.001,941 153.024,942 82.139,945 89.828,948 82.139,949 242.852,951 17.65,952 2.535,953 80.588,954 32.336,955 38.858,957 153.024,959 153.024,960 82.139,961 89.828,964 58.856,965 141.314,966 42.683,968 20.185,969 43.002,970 18.952,972 153.024,973 89.828,974 82.139,977 153.024,978 26.584,979 55.555,981 89.828,982 153.024,983 89.828,984 82.139,986 0.616,987 0.333,988 0.166,989 0.104,990 18,991 8,992 0.029,993 1,994 2,995 1.308,996 2.949,997 136.837,998 0.308,999 13,1000 73.059,1005 11.601,1006 3.755,1007 2.025,1009 89.828,1010 3.664,1015 3.096,1017 42.683,1018 324.992,1019 25,1024 11.16,1026 3.136,1028 -0.375,1031 32.494,1032 35.744,1034 0.284,1035 0.722,1036 0.853,1037 0.878,1038 0.878,1039 0.878,1040 4.57,1041 0.349,1042 5.572,1043 3.21,1044 4.143,1045 4.543,1046 2.09,1047 6.466,1048 4.058,1049 5.821,1050 -0.271,1051 7.197,1052 0.907,1053 4.111,1054 4.575,1056 7.703,1057 3.981,1058 7.17,1059 -0.556,1060 8.927,1061 -0.732,1062 5.894,1063 6.703,1064 2.88,1065 10.695,1066 5.724,1067 8.545,1068 -0.903,1069 10.719,1070 -1.626,1071 6.581,1072 7.427,1074 12.675,1075 6.353,1076 9.946,1077 -1,1078 12.548,1079 -2.644,1080 7.962,1081 9.145,1082 3.826,1083 15.282,1084 7.696,1085 11.364,1086 -1,1087 14.405,1088 -3,1089 8.94,1090 10.189,1092 17.543,1093 8.613,1094 12.795,1095 -1.17,1096 16.28,1097 -3,1098 10.187,1099 11.74,1100 4.83,1101 20.034,1102 9.817,1103 3.36,1104 -1.302,1105 18.171,1106 -3.326,1107 11.286,1108 12.95,1110 22.406,1111 10.857,1112 3.021,1113 11.792,1114 20.073,1115 -4.457,1116 12.488,1117 14.425,1118 5.852,1119 24.865,1120 12.013,1121 2.581,1122 9.853,1123 21.984,1124 4.125,1125 13.639,1126 15.726,1128 27.283,1129 13.106,1130 2.076,1131 8.304,1132 23.903,1133 3.413,1134 14.83,1135 17.167,1136 6.88,1137 29.736,1138 14.247,1139 1.757,1140 5.828,1141 25.829,1142 3.147,1143 16.004,1144 18.518,1146 32.176,1147 15.365,1148 1.356,1149 5.112,1150 27.759,1151 2.687,1152 17.194,1153 19.943,1154 7.91,1155 34.629,1156 16.503,1157 1.153,1158 4.212,1159 29.694,1160 2.334,1161 18.38,1162 21.322,1164 37.08,1165 17.633,1166 2581,1167 4524,1168 12.83,1169 21.148,1170 32.083,1171 32.998,1172 31.829,1173 31.322,1174 31.304,1175 38.106,1176 5.069,1177 98.438,1178 29.938,1179 5.355,1180 5.662,1181 6.436,1182 5.404,1183 5.36,1184 7.125,1185 3.349,1186 19.01,1187 5.185,1188 9.901,1189 1.604,1190 1.65,1191 1.591,1192 1.566,1193 1.565,1194 1.905,1195 0.253,1196 4.922,1197 1.497,1198 4.044,1199 4.054,1200 4.002,1201 3.956,1202 7.434,1203 3.964,1204 3.739,1205 3.764,1206 3.658,1207 3.593,1208 6.449,1209 3.601,1210 3.496,1211 3.525,1212 3.402,1213 3.35,1214 4.907,1215 3.355,1216 3.09,1217 3.146,1218 2.954,1219 2.95,1220 4.516,1221 2.938,1222 2.977,1223 3.009,1224 2.898,1225 2.768,1226 4.023,1227 2.796,1228 2.874,1229 2.988,1230 2.499,1231 2.618,1232 3.981,1233 2.57,1234 2.627,1235 2.659,1236 2.496,1237 2.343,1238 3.801,1239 2.38,1240 2.465,1241 2.52,1242 2.286,1243 2.24,1244 3.467,1245 2.249,1246 0.225,1247 0.183,1248 0.357,1249 0.216,1250 0.168,1251 4.494,1252 0.206,1253 3.662,1254 0.084,1255 7.133,1256 0.59,1257 4.311,1258 0.159,1259 3.36,1260 4.125,1261 1.674,1262 11.792,1263 3.185,1264 1.933,1265 1.922,1266 2.014,1267 2.023,1268 1.26,1269 2.016,1270 1.705,1271 1.666,1272 1.917,1273 1.894,1274 1.101,1275 1.901,1276 1.447,1277 1.427,1278 1.612,1279 1.605,1280 0.765,1281 1.599,1282 1.18,1283 1.119,1284 1.45,1285 1.412,1286 0.55,1287 1.428,1288 0.934,1289 0.804,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.824,1295 0.8,1296 1.055,1297 1.081,1298 0.125,1299 1.058,1300 0.638,1301 0.622,1302 0.867,1303 0.901,1304 0.023,1305 0.884,1306 0.445,1307 0.411,1308 0.685,1309 0.798,1311 0.764,1312 3.714,1314 5.106,1315 2.398,1316 6.673,1317 4.727,1318 8.321,1319 6.862,1320 10.011,1322 3.451,1327 9.973,1328 0.661,1330 10.817,1332 -0.268,1334 -0.897,1340 20.547,1341 45.394,1342 115.471,1343 136.49,1344 140.49,1345 140.49,1346 140.49,1347 30.782,1348 6.733,1349 59.67,1350 59.67,1351 17,1352 12.356,1353 3.17,1354 2.585,1355 25.717,1356 50,1357 40,1358 0.287,1359 124.231,1360 224.74,1361 294.884,1362 6160,1364 12.914,1365 0.717,1366 0.57,1367 12.914,1368 10.266,1369 8.432,1370 0.422,1371 0.295,1372 5.805,1373 8.055,1374 5.601,1375 4.615,1376 8.432,1377 5.892,1378 8.964,1379 0.289,1380 0.168,1381 8.964,1382 5.216,1383 6.679,1384 0.171,1385 0.084,1386 6.679,1387 3.265,1388 5.435,1389 0.105,1390 0.042,1391 5.435,1392 2.202,1393 4.812,1394 0.068,1395 0.023,1396 4.812,1397 1.628,1398 0.428,1399 53.3,1400 0.279,1401 17.603,1402 0.846,1403 102,1404 323.356,1405 115.507,1406 301.197,1407 406.8,1408 280,1409 121,1410 301.303,1411 133.735,1412 299.425,1413 441.77,1414 281,1415 4.174}
{0 CHEMBL445124,1 1.292,2 12.226,3 5.523,4 30.498,5 127.818,6 7.133,7 0.629,8 4.123,9 4.239,10 3.677,11 3.764,12 5.157,13 3.716,14 4.659,15 4.826,16 4.014,17 4.167,18 5.62,19 4.098,20 4.929,21 5.129,22 4.048,23 4.304,24 5.848,25 4.193,26 5.025,27 5.274,28 3.953,29 4.272,30 5.882,31 4.138,32 4.917,33 5.147,34 3.987,35 4.262,36 5.785,37 4.143,38 4.981,39 5.207,40 4.055,41 4.312,42 5.916,43 4.197,44 4.956,45 5.174,46 3.994,47 4.288,48 5.911,49 4.163,50 4.954,51 5.203,52 3.821,53 4.169,54 5.897,55 4.029,56 0.045,57 0.739,58 11.696,59 5.302,60 8.036,61 7.185,62 0.143,63 1.294,64 21.488,65 8.742,66 14.952,67 12.013,68 0.175,69 1.629,70 29.405,71 12.367,72 28.48,73 16.979,74 0.333,75 1.793,76 34.563,77 13.55,78 42.329,79 18.819,80 0.17,81 1.607,82 29.804,83 12.517,84 25.973,85 17.482,86 0.301,87 1.696,88 32.166,89 13.271,90 37.909,91 18.251,92 0.175,93 1.64,94 30.819,95 13.145,96 35.871,97 18.061,98 0.285,99 1.629,100 32.478,101 12.79,102 50.277,103 17.425,104 2,105 48,106 0.208,107 0.495,108 0.638,109 0.77,110 0.821,111 0.843,112 3.472,113 0.933,114 -5.19,115 -5.08,116 -4.76,121 49.1,123 1,127 4,137 1,138 1,144 14,145 4,153 1,154 1,158 1,176 19,180 9,187 20,192 9,200 13,205 1,206 8,214 10,219 4,227 18,231 2,232 4,239 23,244 6,251 22,256 7,264 15,269 7,277 11,281 1692,282 21.585,283 21.585,284 21.585,285 21.585,286 21.585,287 18.634,288 21.28,289 13.077,290 21.743,291 17.37,292 17.37,293 17.37,294 17.37,295 17.37,296 12.977,297 30.772,298 6.324,299 17.631,300 4.541,301 2.759,302 1.874,303 1.053,304 0.737,305 0.596,306 4.187,311 1,312 1,313 844,314 2.739,317 64.889,318 368.352,321 123.311,325 1.811,326 16.248,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 64,338 379,339 4.655,340 3.66,341 6.76,342 4.185,343 3.211,344 4.617,345 1.277,346 11.119,347 3.133,348 4.165,349 3.246,350 6.103,351 3.871,352 2.88,353 3.531,354 0.995,355 8.934,356 2.861,357 3.92,358 2.979,359 5.628,360 3.557,361 2.568,362 3.456,363 0.522,364 7.594,365 2.539,366 3.901,367 2.735,368 5.517,369 3.516,370 2.519,371 3.435,372 0.359,373 7.391,374 2.509,375 3.469,376 2.483,377 5.271,378 3.082,379 2.12,380 2.811,382 6.443,383 2.042,384 3.329,385 2.205,386 4.978,387 2.985,388 2.012,389 2.672,391 5.847,392 1.943,393 3.246,394 1.984,395 4.829,396 2.855,397 1.876,398 2.336,400 5.227,401 1.828,402 2.888,403 1.79,404 4.201,405 2.452,406 1.444,407 2.052,409 3.794,410 1.452,411 2.87,412 1.519,413 3.725,414 2.431,415 1.433,416 1.94,418 3.092,419 1.429,420 2.825,421 1.506,422 3.593,423 2.41,424 1.414,425 1.899,427 3.036,428 1.407,429 2.647,430 1.213,431 3.59,432 2.176,433 1.188,434 1.685,436 2.785,437 1.172,438 2.5,439 1.078,440 3.525,441 2,442 1,443 1.5,445 2.353,446 1,447 2.5,448 1,449 3.247,450 2,451 1,452 1.5,454 2.136,455 1,456 2.314,457 1,458 3.247,459 1.914,460 0.927,461 1.243,463 2.136,464 0.914,465 1.661,466 0.961,467 2.985,468 1.346,469 0.325,470 0.401,472 0.774,473 0.328,474 15.133,475 0.488,476 0.585,477 0.019,478 42.25,479 1.363,480 23,481 0.742,482 19.25,483 0.621,484 24.373,485 0.786,486 31.067,487 0.545,488 31.512,489 1.017,490 8.567,491 0.276,492 6.693,493 0.216,494 0.022,496 0.284,501 0.686,502 1.16,503 0.806,504 0.973,505 0.546,506 0.909,507 1.106,508 1.046,509 0.997,510 0.947,511 0.659,512 0.948,513 1.063,514 1.227,515 1.089,516 1.158,517 1.022,518 1.131,519 1.284,520 0.955,521 1.035,522 0.922,523 1.255,524 0.953,525 0.791,526 1.011,527 0.928,528 0.985,529 0.67,530 0.966,531 1.071,532 0.886,533 0.948,534 0.918,535 1.215,536 0.925,537 0.998,538 1.124,539 1.042,540 1.133,541 1.053,542 1.099,543 1.654,544 0.915,545 1.089,546 0.947,547 1.763,548 0.974,549 5,550 0.102,551 2.444,552 2.076,553 1.143,554 0.917,555 0.643,556 0.428,557 0.297,558 0.204,559 13954,560 30136,561 2.2,562 45.6,564 23,565 1,568 2,572 1.739,573 2.138,574 3.583,575 -0.895,582 73.657,583 1.292,584 3.074,585 3.959,586 4.78,587 5.096,588 5.236,589 3.023,590 4.696,591 4.923,592 3.718,593 1728.77,594 8.615,595 24648.8,600 332.475,601 1.058,602 4.918,603 0.143,604 0.004,605 0.051,606 0.044,607 0.027,608 0.02,609 0.013,610 0.01,611 0.008,612 0.007,613 0.327,614 0.5,615 0.88,616 0.32,617 161.097,618 0.043,619 -0.112,620 0.069,621 -0.015,622 -0.002,623 0.019,624 -0.113,625 0.04,626 -0.068,627 -0.01,628 -0.046,629 -0.027,630 -0.043,631 -0.223,632 -0.132,633 -0.191,634 -0.058,635 -0.173,636 -0.032,637 0.054,638 -0.023,639 0.045,640 -0.079,641 0.016,642 0.024,643 -0.018,644 0.039,645 -0.005,646 0.028,647 0.016,648 0.094,649 0.104,650 0.04,651 0.06,652 -0.001,653 0.048,654 0.007,655 -0.154,656 -0.073,657 -0.149,658 0.047,659 -0.121,660 -0.156,661 0.066,662 -0.062,663 0.029,664 -0.085,665 -0.002,666 1.399,667 5.729,668 0.871,669 32.508,670 0.985,671 1.109,672 3.961,673 15.687,674 0.695,675 3.584,676 3.892,677 4.174,678 4.466,679 4.718,680 4.771,681 4.97,682 5.142,683 5.226,684 5.328,685 7.086,686 0.651,687 406.56,688 3.584,689 5.118,690 5.969,691 6.843,692 7.712,693 8.595,694 9.474,695 10.363,696 11.248,697 12.141,698 3.5,701 1,706 1,714 2,715 15,720 3,721 1,722 22,741 57,743 24,744 3,745 35,747 61,748 28,749 20,750 4,751 14,752 3,756 5,757 6,767 1,770 1,772 23,773 5,777 2,782 1,784 1,786 2,793 26,794 2,796 3,802 2,808 0.8,809 1,824 1,828 1,829 4,832 1,841 1,849 1,850 1,855 1,859 4,868 31,876 5,881 1,893 1.8,896 1,901 14.5,902 10.15,903 6.778,904 3.468,907 4.328,908 1.534,909 1.037,910 5.622,911 12.425,912 3.892,913 4.491,914 5.09,915 5.687,916 6.232,917 6.5,918 6.991,919 7.447,920 7.722,921 8.094,922 1,923 47,924 11.489,926 4.9,927 0.026,929 7.505,931 22.611,933 19.076,936 2.005,937 62.167,941 306.049,942 184.741,943 5.023,945 25.145,948 184.741,949 331.194,950 5.023,952 10.957,953 151.191,954 30.278,955 20.339,956 13.915,957 294.278,959 306.049,960 189.765,961 25.145,964 306.049,965 25.145,968 15.981,969 164.308,970 9.476,972 306.049,973 30.168,974 184.741,977 306.049,978 33.55,979 156.215,981 25.145,982 306.049,983 30.168,984 184.741,986 0.573,987 0.332,988 0.186,989 0.106,990 24,991 9,992 0.082,993 5,994 1,995 1.074,996 4.358,997 286.541,998 0.074,999 27,1000 145.58,1005 19.689,1006 8.851,1007 4.436,1008 2.39,1009 28.269,1010 31.63,1015 3.678,1016 2.284,1018 520.958,1019 48,1024 12.729,1026 2.114,1028 1.175,1031 56.134,1032 63.188,1034 0.222,1035 0.527,1036 0.679,1037 0.82,1038 0.874,1039 0.898,1040 5.109,1041 1.444,1042 5.927,1043 5.227,1044 4.575,1045 5.179,1046 1.925,1047 6.713,1048 4.545,1049 6.303,1050 1.433,1051 7.459,1052 3.794,1053 4.007,1054 4.832,1055 0.325,1056 7.526,1057 3.958,1058 7.596,1059 1.414,1060 9.092,1061 3.092,1062 6.133,1063 7.374,1064 2.07,1065 10.661,1066 6.068,1067 8.926,1068 1.188,1069 10.788,1070 3.036,1071 6.431,1072 7.935,1073 0.504,1074 12.369,1075 6.347,1076 10.292,1077 1,1078 12.526,1079 2.785,1080 7.982,1081 9.898,1082 2.393,1083 15,1084 7.882,1085 11.684,1086 1,1087 14.294,1088 2.353,1089 8.708,1090 10.931,1091 0.585,1092 17.1,1093 8.586,1094 13.1,1095 0.927,1096 16.085,1097 2.136,1098 10.011,1099 12.638,1100 2.79,1101 19.565,1102 9.871,1103 3.211,1104 0.325,1105 17.893,1106 2.136,1107 10.951,1108 13.921,1109 0.622,1110 21.837,1111 10.788,1112 2.88,1113 11.119,1114 19.716,1115 0.774,1116 12.15,1117 15.516,1118 3.226,1119 24.251,1120 11.966,1121 2.568,1122 8.934,1123 21.551,1124 4.617,1125 13.196,1126 16.926,1127 0.639,1128 26.597,1129 12.987,1130 2.519,1131 7.594,1132 23.396,1133 3.531,1134 14.355,1135 18.475,1136 3.683,1137 28.998,1138 14.123,1139 2.12,1140 7.391,1141 25.25,1142 3.456,1143 15.454,1144 19.948,1145 0.646,1146 31.377,1147 15.195,1148 2.012,1149 6.443,1150 27.111,1151 3.435,1152 16.601,1153 21.481,1154 4.153,1155 33.777,1156 16.317,1157 1.876,1158 5.847,1159 28.979,1160 2.811,1161 17.725,1162 22.983,1163 0.648,1164 36.17,1165 17.414,1166 12840,1167 18975,1168 24.444,1169 39.603,1170 52.639,1171 53.084,1172 52.395,1173 51.903,1174 51.833,1175 70.156,1176 6.305,1177 145.319,1178 51.112,1179 5.655,1180 5.66,1181 6.562,1182 5.221,1183 5.211,1184 7.617,1185 2.555,1186 18.233,1187 5.133,1188 7.148,1189 1.504,1190 1.517,1191 1.497,1192 1.483,1193 1.481,1194 2.004,1195 0.18,1196 4.152,1197 1.46,1198 4.163,1199 4.195,1200 4.124,1201 4.081,1202 7.427,1203 4.087,1204 3.94,1205 3.98,1206 3.865,1207 3.861,1208 4.942,1209 3.856,1210 3.88,1211 3.91,1212 3.807,1213 3.827,1214 4.755,1215 3.819,1216 3.797,1217 3.832,1218 3.721,1219 3.685,1220 4.731,1221 3.69,1222 3.449,1223 3.503,1224 3.346,1225 3.333,1226 4.363,1227 3.329,1228 3.282,1229 3.342,1230 3.174,1231 3.128,1232 4.215,1233 3.127,1234 3.207,1235 3.272,1236 3.069,1237 3.04,1238 3.932,1239 3.036,1240 3,1241 3.065,1242 2.843,1243 2.889,1244 3.699,1245 2.87,1246 0.133,1247 0.105,1248 0.193,1249 0.12,1250 0.092,1251 4.655,1252 0.132,1253 3.66,1254 0.036,1255 6.76,1256 0.318,1257 4.185,1258 0.09,1259 3.211,1260 4.617,1261 1.277,1262 11.119,1263 3.133,1264 1.967,1265 1.942,1266 2.072,1267 2.062,1268 1.3,1269 2.067,1270 1.93,1271 1.897,1272 2.06,1273 2.048,1274 1.216,1275 2.053,1276 1.897,1277 1.87,1278 2.013,1279 1.968,1280 1.131,1281 1.985,1282 1.792,1283 1.758,1284 1.938,1285 1.915,1286 1.086,1287 1.926,1288 1.539,1289 1.486,1290 1.699,1291 1.712,1292 0.869,1293 1.713,1294 1.266,1295 1.206,1296 1.505,1297 1.445,1298 0.738,1299 1.46,1300 1.198,1301 1.134,1302 1.468,1303 1.41,1304 0.652,1305 1.438,1306 1.024,1307 0.965,1308 1.292,1309 1.187,1310 0.484,1311 1.226,1312 4.263,1314 5.572,1315 2.398,1316 7.079,1317 4.844,1318 8.672,1319 7.034,1320 10.31,1328 3.8,1333 2.367,1340 37.079,1341 73.657,1342 175.198,1343 225.662,1344 272.475,1345 290.475,1346 298.475,1347 42.267,1348 8.097,1349 25.24,1350 25.24,1351 29,1352 12.67,1353 4.644,1354 3.807,1355 43.53,1356 130,1357 137,1358 0.16,1359 224.845,1360 386.67,1361 540.382,1362 40747,1364 21.045,1365 0.679,1366 0.567,1367 21.045,1368 17.576,1369 15.259,1370 0.436,1371 0.311,1372 10.807,1373 14.999,1374 10.534,1375 8.726,1376 15.259,1377 10.88,1378 13.5,1379 0.281,1380 0.172,1381 13.5,1382 8.254,1383 11.52,1384 0.18,1385 0.094,1386 11.52,1387 6.001,1388 9.829,1389 0.114,1390 0.051,1391 9.829,1392 4.42,1393 8.344,1394 0.075,1395 0.029,1396 8.344,1397 3.18,1398 0.251,1399 93.32,1400 0.202,1401 29.178,1402 0.438,1403 166,1404 381.026,1405 172.6,1406 383.581,1407 537.06,1408 362,1409 195,1410 398.918,1411 203.155,1412 413.78,1413 602.76,1414 390,1415 4}
{0 CHEMBL445130,1 1.447,2 6.25,3 3.527,4 12.44,5 66.845,6 7.573,7 0.333,8 3.532,9 3.656,10 3.137,11 3.139,12 4.446,13 3.083,14 4.127,15 4.319,16 3.523,17 3.565,18 5.001,19 3.477,20 4.456,21 4.694,22 3.624,23 3.755,24 5.263,25 3.634,26 4.471,27 4.743,28 3.367,29 3.629,30 5.237,31 3.457,32 4.235,33 4.534,34 3.093,35 3.398,36 4.894,37 3.205,38 3.897,39 4.148,40 2.899,41 3.161,42 4.649,43 2.954,44 3.676,45 3.936,46 2.589,47 2.904,48 4.409,49 2.656,50 3.345,51 3.649,52 2.177,53 2.39,54 4.085,55 2.054,56 0.018,57 0.447,58 6.514,59 2.905,60 2.803,61 4.074,62 0.104,63 0.772,64 13.587,65 5.18,66 9.338,67 7.341,68 0.161,69 1.002,70 22.007,71 7.304,72 15.884,73 10.379,74 0.233,75 0.976,76 22.721,77 7.171,78 20.663,79 10.412,80 0.137,81 0.728,82 17.977,83 6.287,84 12.76,85 8.98,86 0.117,87 0.489,88 14.563,89 4.939,90 10.307,91 6.804,92 0.066,93 0.371,94 12.225,95 4.114,96 8.363,97 5.557,98 0.092,99 0.203,100 12.39,101 3.085,102 9.255,103 3.993,104 2,105 25,106 0.278,107 0.596,108 0.788,109 0.877,110 0.877,111 0.877,112 2.856,113 1.053,114 -4.87,115 -4.78,116 -4.48,121 41.9,123 4,127 2,144 3,145 1,146 2,160 1,176 5,179 1,180 6,187 7,192 5,200 3,206 6,214 4,227 5,232 1,239 7,251 3,264 2,281 162,282 11.016,283 11.016,284 11.016,285 11.016,286 11.016,287 10.057,288 15.074,289 6.601,290 11.308,291 8.926,292 8.926,293 8.926,294 8.926,295 8.926,296 7.428,297 19.711,298 3.191,299 9.47,300 3.507,301 1.848,302 0.847,303 0.387,304 0.387,305 0.387,306 3.539,308 1,311 1,312 1,313 220,314 1.581,318 48.066,319 31.774,322 40.8,323 46.055,325 1.031,326 8.313,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 33.333,338 100,339 4.38,340 3.477,341 6.371,342 4.013,343 3.061,344 3.991,345 1.469,346 9.882,347 2.917,348 3.881,349 2.984,350 5.902,351 3.537,352 2.597,353 3.186,354 0.739,355 8.24,356 2.435,357 3.408,358 2.594,359 4.964,360 2.972,361 2.077,362 2.683,363 0.169,364 5.816,365 1.797,366 3.076,367 2.254,368 4.705,369 2.759,370 1.814,371 2.178,373 5.14,374 1.691,375 2.644,376 1.644,377 4.05,378 2.579,379 1.593,380 1.643,382 3.448,383 1.556,384 2.584,385 1.528,386 3.726,387 2.326,388 1.342,389 1.587,391 3.318,392 1.319,393 1.9,394 0.903,395 3.19,396 1.636,397 0.674,398 0.79,400 1.591,401 0.639,402 1.282,403 0.517,404 2.741,405 0.92,411 0.98,412 0.146,413 2.405,414 0.844,415 -0.122,416 -0.13,418 -0.294,419 -0.116,420 0.727,421 -0.106,422 2.355,423 0.429,424 -0.488,425 -0.548,427 -1.275,428 -0.394,429 0.359,430 -0.446,431 2.316,432 0.111,433 -0.783,434 -0.866,436 -2.106,437 -0.667,438 0.277,439 -0.73,440 1.826,441 -0.085,442 -1.056,443 -1.401,445 -2.909,446 -1.007,447 -0.058,448 -1.025,449 1.355,450 -0.465,451 -1.277,452 -1.581,454 -3.474,455 -1.093,456 -0.428,457 -1.466,458 1.28,459 -0.762,460 -1.676,461 -1.803,463 -3.99,464 -1.596,465 -0.5,466 -1.478,467 1.049,468 -0.842,469 -1.794,470 -1.892,472 -5.239,473 -1.705,474 8.014,475 0.501,476 0.346,477 0.022,478 18.5,479 1.156,480 8,481 0.5,482 10.5,483 0.656,484 13.249,485 0.828,486 17.186,487 0.554,488 9.254,489 0.578,490 3.167,491 0.198,492 4.66,493 0.291,494 0.089,496 0.299,501 0.667,502 1.375,503 0.615,504 0.989,505 0.544,506 0.949,507 0.83,508 1.159,509 0.69,510 0.918,511 0.529,512 0.94,513 1.054,514 1.103,515 0.86,516 0.928,517 0.882,518 0.929,519 1.018,520 1.033,521 0.855,522 0.978,523 0.883,524 1.04,525 0.727,526 0.735,527 0.637,528 0.724,529 0.726,530 0.803,531 0.67,532 0.971,533 1.111,534 1.191,535 1.042,536 1.158,537 0.939,538 1.039,539 1.305,540 1.256,541 1.316,542 1.236,543 1.874,544 0.726,545 2.144,546 1.234,547 2.258,548 1.085,549 3,551 1.556,552 0.813,553 1.028,554 0.295,555 0.19,556 0.077,557 0.031,559 1947,560 4503,561 2.174,562 48.4,563 4,564 7,568 2,569 2,572 1.554,573 2.087,574 2.724,575 -0.795,577 1,579 1,582 44.871,583 1.447,584 3.106,585 4.107,586 4.567,587 4.567,588 4.567,589 2.203,590 3.281,591 3.977,592 2.752,593 330.199,594 6.705,595 2742.54,597 1,599 1,600 153.58,601 1.198,602 3.954,603 0.167,605 0.062,606 0.03,607 0.057,608 0.021,609 0.019,610 0.013,611 0.016,613 0.385,614 0.83,615 1,616 0.5,617 62.698,618 0.026,619 -0.201,620 0.035,621 -0.049,622 0.07,623 0.001,624 0.042,625 -0.04,626 0.031,627 -0.005,628 0.166,629 -0.011,630 -0.082,631 -0.068,632 -0.015,633 -0.004,634 -0.001,635 0.009,636 -0.055,637 -0.024,638 -0.063,639 -0.082,640 0.005,641 -0.118,642 -0.005,643 0.187,644 0.135,645 0.213,646 0.009,647 0.167,648 0.145,649 -0.098,650 -0.051,651 -0.162,652 -0.081,653 -0.142,654 -0.034,655 -0.212,656 -0.11,657 -0.201,658 -0.195,659 -0.209,660 -0.16,661 -0.054,662 -0.163,663 -0.066,664 -0.283,665 -0.02,666 0.884,667 1.89,668 0.938,669 7.781,670 0.991,671 1.124,672 3.638,673 13.235,674 0.684,675 2.944,676 3.258,677 3.526,678 3.807,679 4.111,680 4.205,681 4.22,682 4.317,683 4.344,684 4.159,685 3.852,686 0.631,687 234.75,688 2.944,689 4.466,690 5.313,691 6.188,692 7.057,693 7.938,694 8.815,695 9.699,696 10.579,697 11.464,698 6.5,701 1,707 1,715 3,720 3,722 6,740 1,741 31,743 7,744 1,745 18,747 33,748 13,749 6,750 3,751 3,752 1,756 3,757 6,758 1,767 4,770 4,772 7,773 6,777 1,785 1,786 1,790 1,793 15,794 2,796 3,797 1,802 2,804 1,808 0.333,829 2,830 1,833 1,834 1,855 1,859 1,865 1,868 16,876 6,881 1,892 1,901 7.667,902 5.543,903 3.472,904 2.143,907 1.671,908 1.256,909 1.01,910 2.7,911 8.194,912 3.135,913 3.676,914 4.193,915 4.726,916 5.29,917 5.486,918 5.73,919 6.036,920 6.224,921 5.992,922 1,923 27,924 5.934,926 2.522,927 0.026,929 7.424,931 11.896,933 10.201,936 1.924,937 30.778,938 0.008,941 176.567,942 54.549,943 19.91,944 39.149,948 54.549,949 215.715,950 19.91,952 14.35,953 28.429,954 2.328,955 29.353,957 176.567,958 39.149,959 176.567,960 74.459,962 39.149,964 153.024,965 23.542,968 34.259,969 40.2,970 39.149,972 176.567,973 19.91,974 93.698,977 176.567,978 26.12,979 31.553,981 55.934,982 176.567,983 19.91,984 93.698,986 0.578,987 0.332,988 0.186,989 0.113,990 14,991 5,994 2,995 1.267,996 2.866,997 114.22,998 0.267,999 15,1000 64,1005 10.307,1006 4.191,1007 2.03,1009 19.91,1010 6.035,1015 3.154,1018 290.174,1019 22,1027 4.746,1028 1.257,1031 30.713,1032 34.847,1034 0.292,1035 0.627,1036 0.829,1037 0.922,1038 0.922,1039 0.922,1040 4.376,1042 5.283,1043 1.591,1044 3.932,1045 4.357,1046 1.743,1047 6.071,1048 3.818,1049 5.546,1050 -0.122,1051 6.819,1053 3.434,1054 4.086,1055 1.048,1056 6.88,1057 3.179,1058 6.838,1059 -0.488,1060 8.454,1061 -0.294,1062 5.493,1063 6.449,1064 2.018,1065 9.986,1066 5.274,1067 8.161,1068 -0.783,1069 10.147,1070 -1.275,1071 5.802,1072 6.979,1073 1.886,1074 11.619,1075 5.463,1076 9.517,1077 -1.056,1078 11.878,1079 -2.106,1080 7.323,1081 8.836,1082 2.535,1083 14.219,1084 7.004,1085 10.895,1086 -1.277,1087 13.635,1088 -2.909,1089 8.042,1090 9.757,1091 2.674,1092 16.207,1093 7.632,1094 12.291,1095 -1.676,1096 15.409,1097 -3.474,1098 9.324,1099 11.384,1100 3.183,1101 18.615,1102 8.908,1103 3.061,1104 -1.794,1105 17.197,1106 -3.99,1107 10.248,1108 12.513,1109 3.452,1110 20.76,1111 9.761,1112 2.597,1113 9.882,1114 18.996,1115 -5.239,1116 11.425,1117 14.025,1118 3.896,1119 23.091,1120 10.916,1121 2.077,1122 8.24,1123 20.802,1124 3.991,1125 12.448,1126 15.267,1127 4.225,1128 25.309,1129 11.879,1130 1.814,1131 5.816,1132 22.614,1133 3.186,1134 13.582,1135 16.718,1136 4.638,1137 27.61,1138 12.98,1139 1.593,1140 5.14,1141 24.432,1142 2.683,1143 14.651,1144 18.023,1145 4.996,1146 29.862,1147 13.996,1148 1.342,1149 3.448,1150 26.254,1151 2.178,1152 15.77,1153 19.443,1154 5.395,1155 32.152,1156 15.075,1157 0.674,1158 3.318,1159 28.079,1160 1.643,1161 16.861,1162 20.782,1163 5.767,1164 34.421,1165 16.116,1166 1889,1167 2972,1168 12.425,1169 21.199,1170 26.755,1171 26.986,1172 26.928,1173 26.499,1174 26.316,1175 32.118,1176 4.754,1177 74.87,1178 24.706,1179 5.322,1180 5.477,1181 6.126,1182 5.085,1183 5.061,1184 6.991,1185 2.496,1186 16.622,1187 4.917,1188 4.605,1189 1.486,1190 1.499,1191 1.496,1192 1.472,1193 1.462,1194 1.784,1195 0.264,1196 4.159,1197 1.373,1198 4.014,1199 4.055,1200 4.044,1201 3.922,1202 4.975,1203 3.924,1204 3.745,1205 3.795,1206 3.727,1207 3.638,1208 4.63,1209 3.626,1210 3.327,1211 3.397,1212 3.399,1213 3.171,1214 4.168,1215 3.168,1216 3.293,1217 3.37,1218 3.122,1219 3.133,1220 4.011,1221 3.117,1222 2.955,1223 3.023,1224 2.998,1225 2.822,1226 3.732,1227 2.808,1228 2.756,1229 2.833,1230 2.711,1231 2.622,1232 3.526,1233 2.607,1234 2.528,1235 2.611,1236 2.477,1237 2.325,1238 3.275,1239 2.303,1240 2.217,1241 2.338,1242 2.103,1243 1.964,1244 3.077,1245 1.934,1246 0.243,1247 0.193,1248 0.354,1249 0.223,1250 0.17,1251 4.38,1252 0.222,1253 3.477,1254 0.082,1255 6.371,1256 0.549,1257 4.013,1258 0.162,1259 3.061,1260 3.991,1261 1.469,1262 9.882,1263 2.917,1264 1.947,1265 1.92,1266 2.031,1267 2.059,1268 1.324,1269 2.056,1270 1.708,1271 1.644,1272 1.967,1273 1.871,1274 1.245,1275 1.908,1276 1.555,1277 1.498,1278 1.743,1279 1.72,1280 0.998,1281 1.735,1282 1.097,1283 1.036,1284 1.377,1285 1.287,1286 0.621,1287 1.329,1288 0.937,1289 0.87,1290 1.203,1291 1.149,1292 0.426,1293 1.168,1294 0.745,1295 0.65,1296 1.117,1297 0.985,1298 0.203,1299 1.04,1300 0.466,1301 0.385,1302 0.897,1303 0.761,1304 0.09,1305 0.813,1306 0.424,1307 0.317,1308 0.712,1309 0.656,1311 0.697,1312 3.611,1314 4.92,1316 6.428,1317 2.708,1318 8.038,1319 5.094,1320 9.705,1323 6.001,1328 7.165,1333 2.42,1340 19.558,1341 44.871,1342 96.296,1343 127.315,1344 141.58,1345 141.58,1346 141.58,1347 16.345,1348 6.522,1349 15.6,1350 15.6,1351 19,1352 11.998,1353 3,1354 2.322,1355 21.717,1356 41,1357 30,1358 0.305,1359 123.503,1360 212.13,1361 293.106,1362 5093,1363 3.2,1364 10.958,1365 0.685,1366 0.625,1367 11.458,1368 10.003,1369 7.826,1370 0.435,1371 0.351,1372 5.924,1373 7.36,1374 5.77,1375 4.743,1376 8.115,1377 6.315,1378 7.068,1379 0.283,1380 0.199,1381 7.476,1382 4.97,1383 5.93,1384 0.18,1385 0.109,1386 6.192,1387 3.587,1388 5.02,1389 0.114,1390 0.06,1391 5.255,1392 2.632,1393 4.445,1394 0.074,1395 0.034,1396 4.697,1397 2.06,1398 0.448,1399 51.118,1400 0.284,1401 15.738,1402 0.921,1403 86,1404 199.494,1405 106.043,1406 227.648,1407 309.78,1408 214,1409 101,1410 211.497,1411 116.087,1412 224.897,1413 330.96,1414 213,1415 6.801}
{0 CHEMBL445454,1 1.281,2 17.286,3 6.73,4 45.293,5 176.294,6 6.396,7 0.458,8 4.552,9 4.694,10 4.011,11 4.11,12 5.422,13 4.054,14 5.166,15 5.374,16 4.362,17 4.552,18 5.959,19 4.462,20 5.488,21 5.749,22 4.462,23 4.73,24 6.215,25 4.605,26 5.523,27 5.789,28 4.394,29 4.732,30 6.241,31 4.585,32 5.534,33 5.806,34 4.318,35 4.734,36 6.202,37 4.57,38 5.56,39 5.84,40 4.203,41 4.719,42 6.195,43 4.524,44 5.561,45 5.873,46 4.073,47 4.626,48 6.14,49 4.407,50 5.41,51 5.722,52 4.045,53 4.49,54 5.982,55 4.297,56 0.109,57 1.325,58 21.369,59 8.437,60 11.96,61 12.406,62 0.283,63 2.266,64 40.077,65 14.383,66 24.982,67 21.799,68 0.44,69 2.899,70 55.452,71 19.49,72 38.567,73 29.777,74 0.543,75 2.96,76 57.52,77 20.378,78 44.104,79 30.892,80 0.424,81 2.924,82 57.757,83 21.111,84 37.228,85 31.885,86 0.406,87 2.924,88 59.076,89 22.2,90 37.226,91 33.285,92 0.454,93 2.789,94 59.151,95 22.155,96 38.76,97 33.243,98 0.401,99 2.42,100 50.892,101 18.756,102 31.756,103 28.286,105 66,106 0.191,107 0.455,108 0.605,109 0.712,110 0.732,111 0.732,112 3.764,113 1.035,114 -5,115 -4.9,116 -4.59,121 40.9,123 10,127 8,144 8,145 4,146 2,148 4,176 16,180 10,185 6,187 18,191 1,192 8,197 4,200 12,206 4,209 4,211 8,214 16,219 2,224 4,227 20,232 6,239 20,244 4,247 2,251 9,255 2,256 8,269 8,274 2,281 3600,282 29.689,283 29.689,284 29.689,285 29.689,286 29.689,287 27.114,288 35.671,289 17.978,290 30.147,291 23.805,292 23.805,293 23.805,294 23.805,295 23.805,296 19.757,297 45.851,298 8.58,299 24.557,300 5.179,301 3.405,302 2.398,303 1.682,304 1.545,305 1.545,306 4.498,312 1,313 1658,314 3.742,318 778.227,322 739.193,325 2.789,326 18.682,329 0.75,330 0.5,331 0.67,332 0.9,333 0.5,334 0.83,335 1,336 0.74,337 87,338 726,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.8,346 11.348,347 3.162,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 4.564,354 0.8,355 11.348,356 3.162,357 3.914,358 2.982,359 5.982,360 3.581,361 2.659,362 3.437,363 0.4,364 8.37,365 2.512,366 3.914,367 2.669,368 5.982,369 3.524,370 2.532,371 3.437,372 0.4,373 8.37,374 2.512,375 3.66,376 2.668,377 5.492,378 3.524,379 2.532,380 2.893,382 7.39,383 2.449,384 3.523,385 2.579,386 5.382,387 3.177,388 2.247,389 2.893,391 6.712,392 2.098,393 3.52,394 2.353,395 5.381,396 3.129,397 2.176,398 2.658,400 6.711,401 2.072,402 3.228,403 2.347,404 5.13,405 3.097,406 2.155,407 2.231,409 6.379,410 2.019,411 2.939,412 1.761,413 4.116,414 2.548,415 1.575,416 2.142,418 3.496,419 1.531,420 2.938,421 1.735,422 4.116,423 2.524,424 1.543,425 2.141,427 3.452,428 1.512,429 2.657,430 1.522,431 3.955,432 2.479,433 1.491,434 1.692,436 3.329,437 1.471,438 2.631,439 1.501,440 3.947,441 2.398,442 1.431,443 1.669,445 3.329,446 1.378,447 2.522,448 1.433,449 3.656,450 2.345,451 1.347,452 1.525,454 3.118,455 1.343,456 2.496,457 1.425,458 3.631,459 2.345,460 1.347,461 1.495,463 3.044,464 1.343,465 2.479,466 1.35,467 3.594,468 2.242,469 1.247,470 1.478,472 2.902,473 1.24,474 20.4,475 0.486,476 0.684,477 0.016,478 48.5,479 1.155,480 21,481 0.5,482 27.5,483 0.655,484 47.416,485 1.129,486 45.6,487 0.518,488 33.826,489 0.805,490 8.495,491 0.202,492 12.337,493 0.294,496 0.284,501 1.011,502 1.376,503 0.939,504 1.132,505 0.816,506 1.048,507 1.372,508 1.206,509 1.051,510 1.05,511 0.935,512 1.029,513 1.236,514 1.041,515 0.964,516 0.937,517 0.99,518 0.93,519 1.213,520 0.997,521 1.071,522 1.002,523 1.168,524 1.022,525 1.202,526 1.019,527 1.094,528 1.033,529 1.145,530 1.051,531 1.056,532 1.075,533 1.143,534 1.131,535 1.114,536 1.141,537 0.823,538 0.939,539 0.977,540 0.995,541 0.906,542 0.997,543 0.797,544 0.889,545 0.856,546 0.886,547 0.706,548 0.877,549 5,550 0.164,551 4,552 2.375,553 2.462,554 0.778,555 0.518,556 0.378,557 0.353,558 0.162,559 40662,560 73020,561 2.246,562 52.3,563 12,564 24,567 2,568 4,570 4,572 1.802,573 2.211,574 3.932,575 0.031,582 112.719,583 1.281,584 3.055,585 4.061,586 4.778,587 4.914,588 4.914,589 3.173,590 3.594,591 5.373,592 4.266,593 3672.71,594 9.437,595 74259.8,600 568.43,601 0.863,602 5.366,603 0.104,604 0.004,605 0.061,606 0.033,607 0.038,608 0.013,609 0.01,610 0.009,611 0.008,612 0.003,613 0.284,614 0.33,615 0.75,617 248.327,618 0.05,619 -0.138,620 0.086,621 -0.014,622 0.151,623 0.03,624 -0.098,625 -0.054,626 -0.023,627 -0.02,628 0.067,629 -0.016,630 -0.014,631 0.01,632 0.049,633 0.045,634 0.102,635 0.051,636 0.02,637 0.046,638 -0.06,639 -0.028,640 0.003,641 -0.046,642 -0.137,643 -0.006,644 -0.098,645 -0.044,646 -0.149,647 -0.064,648 -0.12,649 -0.095,650 -0.16,651 -0.138,652 -0.196,653 -0.15,654 0.059,655 -0.021,656 -0.004,657 -0.027,658 -0.049,659 -0.022,660 0.134,661 0.032,662 0.122,663 0.076,664 0.081,665 0.094,666 0.527,667 1.997,668 0.81,669 54.395,670 0.98,671 1.128,672 3.768,673 14.197,674 0.651,675 3.892,676 4.205,677 4.533,678 4.844,679 5.142,680 5.198,681 5.333,682 5.451,683 5.541,684 5.468,685 10.854,686 0.598,687 562.88,688 3.892,689 5.434,690 6.301,691 7.183,692 8.067,693 8.958,694 9.85,695 10.745,696 11.64,697 12.537,698 6.8,701 2,703 2,708 2,714 4,715 8,716 2,720 6,722 22,734 2,741 88,743 22,744 2,745 48,747 94,748 36,749 18,750 4,751 8,756 7,757 13,767 8,770 10,772 18,773 18,793 46,794 6,795 2,796 6,802 6,808 0.429,822 2,829 7,833 4,855 2,859 3,868 42,876 18,877 2,881 2,901 19,902 15.467,903 9.222,904 6.175,907 4.666,908 1.487,909 1.032,910 8.763,911 14.252,912 4.094,913 4.682,914 5.318,915 5.949,916 6.565,917 6.889,918 7.268,919 7.614,920 7.916,921 7.75,922 0.909,923 71,924 15.659,926 6.689,927 0.026,929 7.278,931 31.934,933 27.786,936 1.778,937 74.667,941 517.928,942 144.833,943 75.841,948 144.833,949 517.928,950 75.841,952 42.191,953 75.81,954 69.593,955 33.081,957 517.928,959 517.928,960 220.674,964 470.844,965 47.084,968 58.241,969 92.841,970 69.593,972 517.928,973 75.841,974 144.833,977 517.928,978 69.023,979 82.059,980 36.022,981 33.571,982 517.928,983 75.841,984 144.833,986 0.571,987 0.343,988 0.202,989 0.118,990 33,991 12,992 0.106,993 10,994 4,995 1.235,996 5.463,997 425.564,998 0.235,999 34,1000 180.477,1005 27.92,1006 13.182,1007 6.265,1008 4.859,1009 75.841,1010 17.322,1011 9.994,1015 8.299,1017 36.022,1018 738.603,1019 59,1031 86.283,1032 99.294,1034 0.198,1035 0.473,1036 0.629,1037 0.74,1038 0.761,1039 0.761,1040 5.34,1041 2.155,1042 6.256,1043 6.711,1044 4.89,1045 5.371,1046 1.27,1047 7.071,1048 4.83,1049 6.509,1050 1.575,1051 7.803,1052 6.379,1053 4.29,1054 5.165,1055 0.57,1056 7.978,1057 4.192,1058 7.809,1059 1.543,1060 9.459,1061 3.496,1062 6.469,1063 7.603,1064 0.705,1065 11.14,1066 6.352,1067 9.151,1068 1.491,1069 11.184,1070 3.452,1071 6.781,1072 8.336,1073 0.479,1074 12.948,1075 6.637,1076 10.536,1077 1.431,1078 12.955,1079 3.329,1080 8.352,1081 10.218,1082 0.443,1083 15.613,1084 8.19,1085 11.951,1086 1.347,1087 14.758,1088 3.329,1089 9.11,1090 11.38,1091 0.346,1092 17.781,1093 8.93,1094 13.391,1095 1.347,1096 16.584,1097 3.118,1098 10.427,1099 13.043,1100 0.293,1101 20.289,1102 10.229,1103 3.226,1104 1.247,1105 18.427,1106 3.044,1107 11.403,1108 14.401,1109 0.237,1110 22.607,1111 11.19,1112 3.226,1113 11.348,1114 20.283,1115 2.902,1116 12.618,1117 15.976,1118 0.195,1119 25.062,1120 12.388,1121 2.659,1122 11.348,1123 22.15,1124 4.564,1125 13.697,1126 17.422,1127 0.158,1128 27.442,1129 13.45,1130 2.532,1131 8.37,1132 24.025,1133 4.564,1134 14.875,1135 18.962,1136 0.129,1137 29.88,1138 14.611,1139 2.532,1140 8.37,1141 25.907,1142 3.437,1143 16.002,1144 20.447,1145 0.104,1146 32.287,1147 15.721,1148 2.247,1149 7.39,1150 27.795,1151 3.437,1152 17.169,1153 21.973,1154 0.084,1155 34.719,1156 16.87,1157 2.176,1158 6.712,1159 29.687,1160 2.893,1161 18.317,1162 23.476,1163 0.068,1164 37.138,1165 18,1166 36052,1167 48478,1168 33.978,1169 57.262,1170 70.888,1171 71.427,1172 72.071,1173 71.09,1174 71.036,1175 88.082,1176 4.8,1177 201.001,1178 68.917,1179 5.64,1180 5.361,1181 6.518,1182 5.274,1183 5.226,1184 7.564,1185 1.2,1186 18.879,1187 5.162,1189 1.477,1190 1.488,1191 1.501,1192 1.481,1193 1.48,1194 1.835,1195 0.1,1196 4.188,1197 1.436,1198 4.139,1199 4.172,1200 4.095,1201 4.063,1202 4.99,1203 4.067,1204 4.089,1205 4.118,1206 4.052,1207 4.019,1208 4.954,1209 4.023,1210 3.872,1211 3.947,1212 3.753,1213 3.681,1214 4.427,1215 3.687,1216 3.733,1217 3.781,1218 3.618,1219 3.649,1220 4.412,1221 3.635,1222 3.732,1223 3.78,1224 3.617,1225 3.648,1226 4.389,1227 3.635,1228 3.635,1229 3.713,1230 3.481,1231 3.463,1232 4.243,1233 3.456,1234 3.517,1235 3.599,1236 3.36,1237 3.337,1238 4.191,1239 3.33,1240 3.291,1241 3.363,1242 3.163,1243 3.153,1244 3.984,1245 3.146,1246 0.097,1247 0.07,1248 0.142,1249 0.088,1250 0.067,1251 4.64,1252 0.095,1253 3.361,1254 0.017,1255 6.829,1256 0.236,1257 4.207,1258 0.066,1259 3.226,1260 4.564,1261 0.8,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.436,1269 2.164,1270 2.072,1271 2.046,1272 2.158,1273 2.163,1274 1.435,1275 2.163,1276 1.818,1277 1.745,1278 2.028,1279 2.039,1280 1.364,1281 2.042,1282 1.754,1283 1.709,1284 1.95,1285 1.873,1286 1.22,1287 1.902,1288 1.754,1289 1.709,1290 1.949,1291 1.872,1292 1.157,1293 1.902,1294 1.629,1295 1.556,1296 1.884,1297 1.835,1298 1.134,1299 1.856,1300 1.509,1301 1.432,1302 1.78,1303 1.728,1304 1.074,1305 1.75,1306 1.281,1307 1.223,1308 1.513,1309 1.479,1310 0.825,1311 1.489,1312 4.575,1314 5.889,1316 7.42,1318 9.058,1320 10.754,1328 21.168,1329 7.708,1333 5.317,1340 52.664,1341 112.719,1342 268.803,1343 357.41,1344 420.43,1345 432.43,1346 432.43,1347 56.291,1348 9.585,1349 56.32,1350 56.32,1351 42,1352 13.061,1353 4.524,1354 3.585,1355 56.876,1356 289,1357 178,1358 0.094,1359 315.833,1360 540.84,1361 762.392,1362 324722,1364 28.141,1365 0.67,1366 0.598,1367 28.141,1368 25.136,1369 20.832,1370 0.434,1371 0.345,1372 16.434,1373 20.361,1374 16.132,1375 13.261,1376 20.832,1377 16.568,1378 18.088,1379 0.274,1380 0.19,1381 18.088,1382 12.517,1383 16.048,1384 0.174,1385 0.106,1386 16.048,1387 9.709,1388 14.075,1389 0.112,1390 0.059,1391 14.075,1392 7.418,1393 12.394,1394 0.073,1395 0.034,1396 12.394,1397 5.76,1398 0.156,1399 127.939,1400 0.172,1401 38.529,1402 0.234,1403 228,1404 455.246,1405 239.712,1406 455.151,1407 659.98,1408 436,1409 272,1410 511.239,1411 285.711,1412 520.954,1413 775.48,1414 498,1415 9.866}
{0 CHEMBL445846,1 1.558,2 14.667,3 3.894,4 15.162,5 136.867,6 7.245,7 0.436,8 4.311,9 4.428,10 3.845,11 3.796,12 5.412,13 3.786,14 4.858,15 5.033,16 4.169,17 4.173,18 5.9,19 4.14,20 5.078,21 5.268,22 4.311,23 4.329,24 6.159,25 4.28,26 5.147,27 5.347,28 4.291,29 4.344,30 6.202,31 4.287,32 5.224,33 5.438,34 4.236,35 4.349,36 6.299,37 4.277,38 5.212,39 5.433,40 4.088,41 4.318,42 6.224,43 4.212,44 5.219,45 5.492,46 4.009,47 4.211,48 6.242,49 4.078,50 5.049,51 5.327,52 3.884,53 4.005,54 6.085,55 3.898,56 0.087,57 0.97,58 14.602,59 6.331,60 9.836,61 8.212,62 0.434,63 1.504,64 28.17,65 10.192,66 37.402,67 13.785,68 0.706,69 1.84,70 35.772,71 12.394,72 64.53,73 17.249,74 0.607,75 1.952,76 38.557,77 12.735,78 59.833,79 17.872,80 0.865,81 1.986,82 43.293,83 13.508,84 91.996,85 18.917,86 0.699,87 1.932,88 42.615,89 13.877,90 72.808,91 19.487,92 0.892,93 1.812,94 45.161,95 14.27,96 101.581,97 21.187,98 0.69,99 1.522,100 38.468,101 11.418,102 83.185,103 17.094,104 35,105 53,106 0.245,107 0.56,108 0.728,109 0.817,110 0.837,111 0.856,112 3.615,113 0.927,114 -3.22,115 -3.21,116 -3.08,121 39.7,123 6,126 3,127 1,144 6,145 3,146 4,148 2,160 2,173 1,176 12,180 7,183 2,185 3,187 13,191 2,192 9,195 2,196 1,197 5,200 8,205 1,206 8,209 1,210 1,211 7,214 6,218 1,219 8,222 2,224 9,227 8,232 4,235 1,237 6,239 6,243 3,244 5,247 2,249 4,251 2,255 1,256 6,259 2,261 7,264 2,269 2,274 4,277 4,281 2404,282 24.748,283 24.748,284 24.748,285 24.748,286 24.748,287 22.427,288 26.741,289 14.659,290 25.379,291 19.066,292 19.066,293 19.066,294 19.066,295 19.066,296 15.128,297 23.82,298 6.689,299 19.752,300 4.529,301 2.531,302 1.464,303 0.901,304 0.772,305 0.651,306 4.312,312 1,313 1137,314 4.416,318 412.845,322 321.184,325 2.185,326 38.492,329 1,330 0.5,331 0.83,332 1,333 1,334 1,335 1,336 0.9,337 79,338 528,339 4.641,340 3.637,341 6.83,342 4.208,343 3.227,344 4.564,345 1.956,346 11.349,347 3.165,348 4.42,349 3.517,350 6.523,351 4.009,352 3.061,353 4.104,354 1.886,355 10.257,356 2.899,357 3.915,358 3.375,359 5.982,360 3.524,361 2.532,362 3.438,363 0.86,364 8.37,365 2.512,366 3.754,367 3.349,368 5.39,369 3.49,370 2.491,371 2.968,372 0.86,373 6.848,374 2.474,375 3.619,376 2.666,377 5.323,378 3.321,379 2.325,380 2.91,381 0.86,382 6.754,383 2.308,384 3.507,385 2.564,386 5.19,387 3.137,388 2.16,389 2.822,390 0.248,391 6.255,392 2.108,393 3.449,394 2.555,395 5.108,396 3.054,397 2.061,398 2.66,400 6.118,401 2.025,402 3.355,403 2.314,404 4.874,405 2.972,406 2.061,407 2.604,409 5.641,410 1.867,411 2.937,412 1.964,413 4.116,414 2.514,415 1.524,416 2.141,418 3.329,419 1.506,420 2.601,421 1.624,422 3.893,423 2.345,424 1.347,425 1.634,427 3.319,428 1.343,429 2.488,430 1.449,431 3.804,432 2.242,433 1.247,434 1.488,436 2.902,437 1.24,438 2.234,439 1.438,440 3.594,441 2.06,442 1.177,443 1.22,445 2.608,446 1.051,447 2.158,448 1.35,449 3.57,450 2.001,451 1.065,452 1.133,454 2.473,455 0.973,456 1.869,457 1.241,458 3.258,459 1.715,460 0.761,461 0.819,463 1.711,464 0.721,465 1.703,466 1.145,467 2.993,468 1.457,469 0.474,470 0.547,472 1.05,473 0.461,474 16.767,475 0.466,476 0.725,477 0.02,478 44,479 1.222,480 21,481 0.583,482 23,483 0.639,484 34.174,485 0.949,486 40.233,487 0.592,488 36.581,489 1.016,490 8.839,491 0.246,492 8.694,493 0.241,494 0.129,496 0.328,501 0.794,502 1.281,503 0.811,504 1.177,505 0.582,506 1.019,507 1.04,508 1.079,509 0.887,510 0.946,511 0.68,512 0.898,513 0.862,514 1.118,515 0.919,516 1.016,517 1.038,518 0.982,519 1.04,520 1.189,521 1.067,522 1.129,523 1.075,524 1.097,525 1.257,526 1.042,527 1.15,528 1.004,529 0.81,530 1.045,531 1.207,532 1.144,533 1.25,534 1.166,535 1.27,536 1.207,537 0.707,538 0.95,539 0.868,540 0.961,541 1.131,542 0.95,543 0.877,544 0.928,545 0.812,546 0.873,547 1.28,548 0.836,549 6.5,550 0.207,551 4,552 2.438,553 2.524,554 1.049,555 0.689,556 0.493,557 0.295,558 0.271,559 21773,560 57159,561 2.056,562 47.1,563 8,564 17,567 3,568 4,572 1.769,573 1.929,574 3.756,575 0.801,582 105.956,583 1.558,584 3.557,585 4.624,586 5.186,587 5.315,588 5.437,589 3.096,590 4.482,591 5.149,592 4.025,593 2535.54,594 9.015,595 43614.9,600 413.947,601 1.389,602 5.102,603 0.167,604 0.006,605 0.075,606 0.041,607 0.045,608 0.02,609 0.016,610 0.013,611 0.008,612 0.008,613 0.401,614 0.33,615 0.88,616 0.838,617 200.861,618 -0.019,619 -0.037,620 0.051,621 -0.048,622 -0.008,623 0.007,624 -0.051,625 0.023,626 0.056,627 0.099,628 0.019,629 0.094,630 0.107,631 -0.032,632 0.034,633 0.002,634 -0.018,635 0.001,636 -0.052,637 -0.098,638 -0.104,639 -0.14,640 -0.089,641 -0.131,642 -0.12,643 -0.015,644 -0.152,645 -0.039,646 0.069,647 -0.092,648 -0.172,649 -0.137,650 -0.267,651 -0.185,652 -0.149,653 -0.235,654 0.186,655 -0.046,656 0.135,657 -0.006,658 0.113,659 0.044,660 0.097,661 -0.027,662 0.212,663 0.054,664 0.088,665 0.14,666 1.999,667 5.486,668 0.556,669 38.556,670 1.006,671 1.13,672 1.988,673 3.953,674 0.646,675 3.689,676 3.989,677 4.277,678 4.543,679 4.796,680 4.828,681 4.927,682 4.984,683 5.024,684 4.89,685 9.002,686 0.618,687 492.63,688 3.689,689 5.22,690 6.071,691 6.946,692 7.817,693 8.7,694 9.579,695 10.465,696 11.349,697 12.238,698 5.9,703 1,705 2,708 1,714 2,715 6,716 1,720 7,722 17,739 3,741 68,743 19,744 2,745 39,747 71,748 27,749 15,750 6,751 6,756 4,757 7,767 4,770 6,772 17,773 10,777 2,782 2,786 2,793 32,794 9,795 3,796 9,802 4,806 1,808 0.5,809 5,822 1,829 4,833 2,843 1,859 2,864 3,868 36,876 7,877 3,878 3,893 7.4,896 2,898 3,901 18.667,902 13.033,903 8.25,904 4.017,907 3.309,908 1.409,909 0.965,910 8.888,911 11.403,912 3.922,913 4.5,914 5.08,915 5.657,916 6.237,917 6.505,918 6.825,919 7.102,920 7.387,921 7.23,922 1,923 59,924 13.35,926 5.58,927 0.026,929 7.773,931 25.434,933 20.457,936 2.273,937 81.833,941 341.362,942 148.561,943 70.573,945 83.29,948 148.561,949 424.651,950 70.573,951 32.649,952 53.212,953 56.857,954 94.373,955 65.332,957 341.362,959 341.362,960 219.134,961 83.29,964 341.362,965 83.29,968 58.113,969 126.347,970 34.674,972 341.362,973 153.862,974 148.561,977 341.362,978 59.054,979 89.507,980 53.787,981 100.075,982 341.362,983 153.862,984 148.561,986 0.567,987 0.345,988 0.195,989 0.112,990 23,991 11,992 0.141,993 10,994 2,995 1.2,996 4.663,997 330.178,998 0.2,999 20,1000 176.117,1005 26.049,1006 12.283,1007 6.224,1008 1.864,1009 153.862,1010 11.513,1011 4.807,1015 5.539,1017 53.787,1018 643.785,1019 49.5,1024 24.872,1028 -0.563,1031 68.414,1032 76.853,1034 0.256,1035 0.584,1036 0.76,1037 0.852,1038 0.873,1039 0.893,1040 5.155,1041 2.061,1042 6.043,1043 6.118,1044 4.673,1045 5.187,1046 2.877,1047 6.853,1048 4.611,1049 6.348,1050 1.524,1051 7.599,1052 5.641,1053 4.205,1054 5.075,1055 2.179,1056 7.781,1057 4.136,1058 7.659,1059 1.347,1060 9.258,1061 3.329,1062 6.26,1063 7.406,1064 3.697,1065 10.893,1066 6.147,1067 9.008,1068 1.247,1069 10.98,1070 3.319,1071 6.635,1072 8.134,1073 3.719,1074 12.675,1075 6.499,1076 10.391,1077 1.177,1078 12.743,1079 2.902,1080 8.132,1081 9.961,1082 4.803,1083 15.316,1084 7.967,1085 11.799,1086 1.065,1087 14.535,1088 2.608,1089 8.91,1090 11.083,1091 5.139,1092 17.455,1093 8.712,1094 13.225,1095 0.761,1096 16.348,1097 2.473,1098 10.186,1099 12.716,1100 6.024,1101 19.942,1102 9.964,1103 3.227,1104 0.474,1105 18.178,1106 1.711,1107 11.162,1108 14.033,1109 6.508,1110 22.234,1111 10.904,1112 3.061,1113 11.349,1114 20.021,1115 1.05,1116 12.352,1117 15.585,1118 7.29,1119 24.668,1120 12.071,1121 2.532,1122 10.257,1123 21.875,1124 4.564,1125 13.423,1126 16.998,1127 7.853,1128 27.025,1129 13.108,1130 2.491,1131 8.37,1132 23.738,1133 4.104,1134 14.583,1135 18.518,1136 8.579,1137 29.442,1138 14.245,1139 2.325,1140 6.848,1141 25.608,1142 3.438,1143 15.697,1144 19.977,1145 9.184,1146 31.828,1147 15.33,1148 2.16,1149 6.754,1150 27.485,1151 2.968,1152 16.849,1153 21.485,1154 9.88,1155 34.241,1156 16.458,1157 2.061,1158 6.255,1159 29.366,1160 2.91,1161 17.985,1162 22.967,1163 10.508,1164 36.642,1165 17.568,1166 20772,1167 33805,1168 25.948,1169 43.955,1170 56.739,1171 59.651,1172 59.87,1173 56.674,1174 56.84,1175 72.176,1176 13.34,1177 160.892,1178 54.916,1179 5.598,1180 5.637,1181 6.515,1182 5.249,1183 5.227,1184 7.564,1185 3.429,1186 18.88,1187 5.165,1188 18.641,1189 1.455,1190 1.53,1191 1.535,1192 1.453,1193 1.457,1194 1.851,1195 0.342,1196 4.125,1197 1.408,1198 4.113,1199 4.144,1200 4.074,1201 4.038,1202 7.434,1203 4.043,1204 3.96,1205 3.973,1206 3.915,1207 3.868,1208 7.424,1209 3.876,1210 3.733,1211 3.781,1212 3.638,1213 3.65,1214 4.99,1215 3.636,1216 3.707,1217 3.754,1218 3.614,1219 3.477,1220 4.956,1221 3.505,1222 3.513,1223 3.562,1224 3.423,1225 3.286,1226 4.58,1227 3.309,1228 3.304,1229 3.371,1230 3.178,1231 3.154,1232 4.464,1233 3.15,1234 3.303,1235 3.355,1236 3.144,1237 3.006,1238 4.42,1239 3.026,1240 3.23,1241 3.295,1242 3.093,1243 2.977,1244 4.298,1245 2.993,1246 0.119,1247 0.093,1248 0.175,1249 0.108,1250 0.083,1251 4.641,1252 0.117,1253 3.637,1254 0.05,1255 6.83,1256 0.291,1257 4.208,1258 0.081,1259 3.227,1260 4.564,1261 1.956,1262 11.349,1263 3.165,1264 2.069,1265 2.044,1266 2.154,1267 2.161,1268 1.432,1269 2.16,1270 1.909,1271 1.895,1272 2.013,1273 2.026,1274 1.244,1275 2.019,1276 1.754,1277 1.709,1278 1.949,1279 1.874,1280 1.145,1281 1.902,1282 1.606,1283 1.561,1284 1.777,1285 1.867,1286 0.924,1287 1.838,1288 1.43,1289 1.38,1290 1.65,1291 1.693,1292 0.805,1293 1.677,1294 1.275,1295 1.221,1296 1.59,1297 1.558,1298 0.756,1299 1.565,1300 1.227,1301 1.163,1302 1.569,1303 1.518,1304 0.62,1305 1.531,1306 1.179,1307 1.107,1308 1.509,1309 1.489,1310 0.584,1311 1.499,1312 4.369,1314 5.673,1316 7.186,1318 8.803,1320 10.478,1322 4.634,1328 4.601,1329 8.515,1330 16.051,1340 42.035,1341 105.956,1342 241.866,1343 314.399,1344 352.663,1345 361.418,1346 369.683,1347 77.902,1348 8.094,1349 110.81,1350 110.81,1351 24,1352 12.769,1353 4.322,1354 3.524,1355 62.619,1356 202,1357 164,1358 0.149,1359 258.075,1360 455.07,1361 621.462,1362 46130,1364 25.493,1365 0.708,1366 0.581,1367 25.493,1368 20.902,1369 17.533,1370 0.45,1371 0.309,1372 11.825,1373 16.679,1374 11.498,1375 9.569,1376 17.533,1377 12.046,1378 15.005,1379 0.283,1380 0.163,1381 15.005,1382 8.62,1383 12.857,1384 0.181,1385 0.089,1386 12.857,1387 6.308,1388 10.703,1389 0.115,1390 0.048,1391 10.703,1392 4.497,1393 9.151,1394 0.076,1395 0.027,1396 9.151,1397 3.297,1398 0.243,1399 111.468,1400 0.196,1401 33.597,1402 0.382,1403 184,1404 583.321,1405 204.28,1406 546.58,1407 739.37,1408 514,1409 216,1410 531.003,1411 236.894,1412 536.372,1413 779.33,1414 501,1415 7.39}
{0 CHEMBL445916,1 1.612,2 9,3 4.68,4 21.901,5 98.889,6 8.529,7 0.385,8 3.915,9 4.037,10 3.602,11 3.456,12 4.939,13 3.417,14 4.484,15 4.678,16 4.031,17 3.861,18 5.507,19 3.793,20 4.668,21 4.884,22 4.302,23 3.993,24 5.628,25 3.916,26 4.65,27 4.815,28 4.383,29 4.082,30 5.665,31 3.995,32 4.754,33 4.929,34 4.405,35 4.158,36 5.748,37 4.028,38 4.881,39 5.119,40 4.11,41 4.099,42 5.744,43 3.92,44 4.774,45 5.035,46 3.816,47 3.905,48 5.616,49 3.695,50 4.581,51 4.858,52 3.497,53 3.626,54 5.437,55 3.423,56 0.011,57 0.661,58 8.546,59 4.307,60 5.574,61 5.69,62 0.327,63 1.066,64 20.235,65 7.357,66 30.828,67 10.041,68 0.299,69 1.219,70 30.906,71 9.241,72 29.204,73 12.032,74 0.289,75 1.233,76 31.258,77 9.282,78 27.84,79 11.544,80 0.255,81 1.346,82 41.525,83 11.49,84 27.977,85 14.47,86 0.29,87 1.402,88 52.015,89 12.787,90 33.418,91 16.612,92 0.403,93 1.185,94 49.105,95 11.795,96 35.945,97 15.197,98 0.268,99 0.938,100 44.062,101 9.508,102 32.437,103 12.196,104 45,105 37,106 0.279,107 0.622,108 0.819,109 0.864,110 0.864,111 0.864,112 3.23,113 1.059,114 -3.87,115 -3.83,116 -3.63,119 1,121 39.1,122 2,123 3,126 1,127 2,144 2,145 2,146 2,154 2,159 1,161 1,176 5,179 1,180 7,183 2,187 4,191 1,192 9,200 5,206 4,211 1,214 8,218 1,219 7,224 3,227 11,232 5,237 1,239 6,243 2,244 2,247 1,249 1,251 3,256 2,261 1,264 3,268 1,269 2,272 1,274 1,281 768,282 16.439,283 16.439,284 16.439,285 16.439,286 16.439,287 14.839,288 20.623,289 9.72,290 16.924,291 12.685,292 12.685,293 12.685,294 12.685,295 12.685,296 9.985,297 21.015,298 4.331,299 13.472,300 3.911,301 1.928,302 0.788,303 0.527,304 0.527,305 0.527,306 3.907,311 1,312 1,313 448,314 3.606,317 83.43,318 50.841,320 68.46,321 75.517,324 104.717,325 1.417,326 19.407,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 51.25,338 216,339 4.864,340 3.702,341 7.247,342 4.42,343 3.459,344 4.837,345 2.186,346 12.895,347 3.323,348 4.194,349 3.585,350 6.421,351 3.772,352 2.848,353 3.717,354 0.986,355 9.751,356 2.616,357 3.796,358 3.159,359 5.868,360 3.386,361 2.44,362 3.161,363 0.366,364 7.959,365 2.278,366 3.595,367 2.711,368 5.618,369 3.202,370 2.264,371 2.882,373 7.177,374 2.104,375 3.396,376 2.365,377 4.98,378 2.969,379 1.999,380 2.635,382 5.607,383 1.919,384 3.01,385 1.988,386 4.822,387 2.573,388 1.615,389 2.141,391 4.842,392 1.54,393 2.734,394 1.789,395 4.287,396 2.343,397 1.414,398 1.795,400 3.642,401 1.267,402 2.198,403 1.327,404 3.739,405 2.112,406 1.129,407 1.185,409 2.422,410 1.101,411 2.06,412 1.219,413 3.297,414 1.95,415 0.997,416 1.041,418 1.844,419 0.928,420 1.765,421 1.105,422 3.084,423 1.584,424 0.614,425 0.681,427 1.2,428 0.593,429 1.576,430 0.892,431 3.053,432 1.343,433 0.465,434 0.498,436 0.867,437 0.385,438 1.439,439 0.748,440 2.668,441 0.994,442 0.111,443 0.134,445 0.188,446 0.079,447 1.041,448 0.323,449 2.501,450 0.721,451 -0.234,452 -0.275,454 -0.426,455 -0.216,456 0.84,458 2.288,459 0.471,460 -0.46,461 -0.541,463 -0.896,464 -0.39,465 0.656,466 -0.202,467 2,468 0.26,469 -0.699,470 -0.847,472 -1.527,473 -0.639,474 12.2,475 0.508,476 0.555,477 0.023,478 27,479 1.125,480 11.5,481 0.479,482 15.5,483 0.646,484 25.571,485 1.065,486 26.2,487 0.57,488 17.068,489 0.711,490 4.863,491 0.203,492 6.754,493 0.281,494 0.26,496 0.361,501 0.77,502 1.44,503 0.513,504 0.981,505 0.596,506 0.98,507 0.637,508 0.999,509 0.537,510 0.729,511 0.448,512 0.783,513 0.972,514 0.889,515 0.75,516 0.735,517 0.74,518 0.703,519 1.373,520 1.01,521 1.214,522 0.942,523 1.187,524 0.94,525 0.735,526 1.287,527 1.441,528 1.387,529 0.77,530 1.29,531 0.863,532 1.162,533 1.366,534 1.287,535 0.714,536 1.222,537 0.821,538 0.977,539 1.354,540 1.204,541 0.744,542 1.161,543 1.057,544 1.027,545 1.417,546 1.199,547 1.135,548 1.073,549 4,550 0.05,551 2.889,552 2.514,553 1.904,554 1.178,555 0.683,556 0.397,557 0.224,558 0.105,559 5187,560 13948,561 2.015,562 47.8,563 5,564 9,567 1,568 2,569 5,572 1.677,573 1.846,574 3.112,575 -0.301,582 74.163,583 1.612,584 3.595,585 4.735,586 4.996,587 4.996,588 4.996,589 2.657,590 4.335,591 4.546,592 3.243,593 895.052,594 7.894,595 10041.6,597 1,600 254.084,601 1.528,602 4.493,603 0.154,604 0.007,605 0.078,606 0.061,607 0.045,608 0.03,609 0.023,610 0.018,611 0.013,612 0.01,613 0.44,614 0.5,615 1,616 1.604,617 111.278,618 -0.024,619 -0.216,620 0.007,621 -0.066,622 -0.028,623 -0.016,624 0.262,625 0.122,626 0.069,627 0.157,628 0.219,629 0.161,630 0.034,631 0.165,632 0.131,633 0.217,634 0.047,635 0.26,636 -0.222,637 0.111,638 0.003,639 0.118,640 -0.135,641 0.034,642 0.061,643 -0.215,644 -0.053,645 -0.252,646 0.031,647 -0.258,648 -0.052,649 -0.197,650 -0.104,651 -0.218,652 -0.029,653 -0.204,654 0.072,655 -0.073,656 -0.105,657 -0.147,658 0.007,659 -0.145,660 -0.053,661 -0.167,662 -0.114,663 -0.141,664 -0.04,665 -0.062,666 2.132,667 4.57,668 0.5,669 21.417,670 1.001,671 1.128,672 2.639,673 6.966,674 0.672,675 3.296,676 3.638,677 4.007,678 4.382,679 4.654,680 4.86,681 5.043,682 5.136,683 5.147,684 5.094,685 5.239,686 0.626,687 392.33,688 3.296,689 4.844,690 5.733,691 6.655,692 7.581,693 8.521,694 9.461,695 10.407,696 11.354,697 12.304,698 6.5,705 1,706 1,707 1,714 2,715 2,720 4,721 1,722 10,725 1,737 1,740 1,741 46,743 12,744 1,745 26,746 1,747 48,748 18,749 8,750 4,751 2,752 1,756 3,757 6,763 2,767 2,770 3,772 10,773 8,777 2,782 1,785 1,786 2,790 1,793 22,794 4,795 1,796 6,797 1,802 3,808 0.333,809 2,824 1,828 2,829 1,831 1,832 1,835 1,859 1,863 1,864 3,868 24,876 5,877 1,878 1,892 1,893 4.3,896 1,898 1,901 13,902 9.293,903 5.556,904 3.226,907 2.446,908 1.335,909 0.976,910 5.307,911 9.751,912 3.526,913 4.163,914 4.845,915 5.541,916 6.133,917 6.617,918 7.082,919 7.474,920 7.664,921 7.795,922 1,923 41,924 8.881,926 3.683,927 0.026,929 7.649,931 17.247,933 14.065,936 2.149,937 51.583,940 1,941 247.193,942 85.291,943 82.649,945 36.145,948 131.246,949 283.338,950 36.695,951 26.047,952 29.826,953 18.952,954 27.902,955 43.742,956 11.663,957 247.193,958 45.954,959 247.193,960 121.987,961 36.145,963 45.954,964 188.338,965 95,968 66.161,969 55.826,971 45.954,972 247.193,973 72.84,974 131.246,977 247.193,978 40.292,979 46.898,980 63.965,981 52.93,982 247.193,983 72.84,984 131.246,986 0.566,987 0.353,988 0.212,989 0.128,990 18,991 9,992 0.104,993 5,994 2,995 1.333,996 3.404,997 204.183,998 0.333,999 12,1000 110.039,1005 17.497,1006 7.28,1007 3.031,1008 2.308,1009 70.941,1010 3.884,1015 3.943,1016 2.362,1017 18.011,1018 451.279,1019 33,1024 11.57,1027 4.702,1028 0.728,1031 46.025,1032 51.907,1034 0.292,1035 0.651,1036 0.857,1037 0.905,1038 0.905,1039 0.905,1040 4.783,1041 1.129,1042 5.74,1043 3.642,1044 4.317,1045 4.848,1046 2.441,1047 6.653,1048 4.2,1049 6.016,1050 0.997,1051 7.358,1052 2.422,1053 4.007,1054 4.89,1055 1.784,1056 7.769,1057 3.815,1058 7.366,1059 0.614,1060 9.083,1061 1.844,1062 5.989,1063 7.173,1064 3.546,1065 10.964,1066 5.772,1067 8.762,1068 0.465,1069 10.872,1070 1.2,1071 6.553,1072 8.087,1073 3.59,1074 12.946,1075 6.269,1076 10.195,1077 0.111,1078 12.7,1079 0.867,1080 8.013,1081 9.886,1082 4.918,1083 15.686,1084 7.708,1085 11.657,1086 -0.234,1087 14.558,1088 0.188,1089 8.962,1090 11.181,1091 5.289,1092 18.016,1093 8.605,1094 13.139,1095 -0.46,1096 16.437,1097 -0.426,1098 10.25,1099 12.821,1100 6.39,1101 20.619,1102 9.868,1103 3.459,1104 -0.699,1105 18.332,1106 -0.896,1107 11.363,1108 14.28,1109 6.93,1110 23.086,1111 10.939,1112 2.848,1113 12.895,1114 20.241,1115 -1.527,1116 12.601,1117 15.869,1118 7.902,1119 25.65,1120 12.148,1121 2.44,1122 9.751,1123 22.161,1124 4.837,1125 13.782,1126 17.395,1127 8.539,1128 28.17,1129 13.292,1130 2.264,1131 7.959,1132 24.09,1133 3.717,1134 15.009,1135 18.971,1136 9.436,1137 30.725,1138 14.487,1139 1.999,1140 7.177,1141 26.027,1142 3.161,1143 16.22,1144 20.525,1145 10.13,1146 33.265,1147 15.662,1148 1.615,1149 5.607,1150 27.97,1151 2.882,1152 17.448,1153 22.098,1154 10.981,1155 35.819,1156 16.856,1157 1.414,1158 4.842,1159 29.918,1160 2.635,1161 18.672,1162 23.663,1163 11.71,1164 38.368,1165 18.044,1166 5317,1167 8881,1168 16.819,1169 30.892,1170 38.794,1171 40.448,1172 42.217,1173 38.775,1174 38.709,1175 49.414,1176 7.077,1177 116.787,1178 36.265,1179 5.72,1180 5.702,1181 7.013,1182 5.478,1183 5.459,1184 7.837,1185 3.889,1186 20.583,1187 5.323,1188 13.845,1189 1.492,1190 1.556,1191 1.624,1192 1.491,1193 1.489,1194 1.901,1195 0.272,1196 4.492,1197 1.395,1198 4.193,1199 4.221,1200 6.881,1201 4.119,1202 7.435,1203 4.123,1204 3.715,1205 3.752,1206 4.127,1207 3.604,1208 4.951,1209 3.601,1210 3.595,1211 3.666,1212 3.615,1213 3.433,1214 4.626,1215 3.416,1216 3.526,1217 3.595,1218 3.471,1219 3.279,1220 4.379,1221 3.286,1222 3.417,1223 3.498,1224 3.363,1225 3.197,1226 4.167,1227 3.215,1228 3.162,1229 3.239,1230 3.229,1231 2.991,1232 4.059,1233 2.971,1234 2.939,1235 2.992,1236 2.977,1237 2.889,1238 3.933,1239 2.843,1240 2.93,1241 2.977,1242 2.739,1243 2.641,1244 3.758,1245 2.655,1246 0.187,1247 0.142,1248 0.279,1249 0.17,1250 0.133,1251 4.864,1252 0.186,1253 3.702,1254 0.084,1255 7.247,1256 0.496,1257 4.42,1258 0.128,1259 3.459,1260 4.837,1261 2.186,1262 12.895,1263 3.323,1264 1.939,1265 1.925,1266 2.004,1267 2.036,1268 1.262,1269 2.032,1270 1.711,1271 1.66,1272 1.896,1273 1.872,1274 1.175,1275 1.878,1276 1.599,1277 1.529,1278 1.853,1279 1.801,1280 1.039,1281 1.825,1282 1.469,1283 1.413,1284 1.724,1285 1.736,1286 0.947,1287 1.721,1288 1.397,1289 1.323,1290 1.687,1291 1.625,1292 0.777,1293 1.659,1294 1.334,1295 1.258,1296 1.557,1297 1.529,1298 0.681,1299 1.553,1300 1.027,1301 0.972,1302 1.31,1303 1.278,1304 0.472,1305 1.274,1306 0.843,1307 0.789,1308 1.067,1309 1.154,1310 0.147,1311 1.156,1312 3.97,1314 5.303,1315 3.045,1316 6.847,1317 5.533,1318 8.503,1319 7.758,1320 10.227,1321 3.658,1322 5.808,1328 4.767,1329 2.484,1330 5.369,1340 28.787,1341 74.163,1342 165.373,1343 217.819,1344 229.819,1345 229.819,1346 229.819,1347 36.783,1348 7.305,1349 55.62,1350 55.62,1351 16,1352 12.794,1353 3.7,1354 3,1355 38.949,1356 74,1357 86,1358 0.273,1359 183.977,1360 315.1,1361 440.664,1362 12099,1363 2.2,1364 17.267,1365 0.719,1366 0.661,1367 18.267,1368 15.865,1369 11.617,1370 0.447,1371 0.353,1372 8.325,1373 10.672,1374 8.012,1375 6.681,1376 12.194,1377 9.18,1378 10.007,1379 0.27,1380 0.178,1381 10.673,1382 6.604,1383 8.848,1384 0.164,1385 0.095,1386 9.704,1387 5.108,1388 7.779,1389 0.098,1390 0.052,1391 8.576,1392 4.082,1393 6.533,1394 0.063,1395 0.028,1396 7.325,1397 2.956,1398 0.409,1399 81.016,1400 0.244,1401 22.766,1402 0.815,1403 126,1404 359.749,1405 204.48,1406 379.656,1407 517.53,1408 356,1409 154,1410 364.685,1411 207.618,1412 377.047,1413 566.45,1414 357,1415 6.638}
{0 CHEMBL447544,1 1.475,2 15.897,3 6.815,4 46.437,5 157.569,6 7.119,7 0.386,8 4.43,9 4.548,10 3.97,11 3.993,12 5.387,13 3.95,14 5.043,15 5.226,16 4.357,17 4.444,18 5.921,19 4.373,20 5.341,21 5.559,22 4.477,23 4.634,24 6.217,25 4.529,26 5.43,27 5.667,28 4.414,29 4.639,30 6.283,31 4.51,32 5.45,33 5.704,34 4.349,35 4.613,36 6.263,37 4.475,38 5.422,39 5.673,40 4.297,41 4.592,42 6.24,43 4.431,44 5.403,45 5.675,46 4.191,47 4.517,48 6.175,49 4.339,50 5.257,51 5.517,52 4.108,53 4.423,54 5.998,55 4.255,56 0.041,57 1.075,58 17.199,59 7.71,60 9.059,61 10.351,62 0.269,63 1.85,64 34.79,65 13.453,66 26.157,67 18.437,68 0.475,69 2.391,70 49.712,71 18.283,72 43.251,73 25.509,74 0.485,75 2.54,76 54.561,77 19.721,78 59.858,79 27.745,80 0.635,81 2.532,82 55.771,83 19.763,84 61.225,85 27.924,86 0.572,87 2.447,88 54.711,89 19.915,90 62.173,91 28.17,92 0.611,93 2.317,94 57.511,95 19.6,96 65.473,97 27.61,98 0.427,99 2.019,100 51.468,101 17.313,102 43.218,103 24.242,104 21,105 63,106 0.226,107 0.532,108 0.739,109 0.843,110 0.855,111 0.859,112 3.693,113 1.008,114 -5.06,115 -4.96,116 -4.65,121 41.6,123 8,124 2,126 2,127 4,144 5,145 4,146 4,148 2,159 1,176 15,180 10,185 2,187 21,191 1,192 12,195 1,197 2,200 15,206 9,209 1,211 4,214 13,218 1,219 8,224 3,227 12,231 1,232 5,237 2,239 10,243 2,244 8,249 1,251 7,256 7,261 1,264 7,269 3,274 1,277 12,281 2911,282 26.927,283 26.927,284 26.927,285 26.927,286 26.927,287 24.824,288 33.593,289 15.621,290 27.613,291 21.618,292 21.618,293 21.618,294 21.618,295 21.618,296 18.069,297 36.479,298 7.274,299 22.56,300 4.791,301 2.8,302 1.453,303 0.773,304 0.695,305 0.669,306 4.411,308 1,312 1,313 1384,314 3.606,317 91.195,318 529.032,321 173.41,322 334.261,325 2.388,326 32.286,329 0.75,330 0.67,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.85,337 82.833,338 620,339 4.651,340 3.793,341 6.833,342 4.227,343 3.235,344 4.582,345 1.277,346 11.364,347 3.24,348 4.528,349 3.373,350 6.724,351 4.214,352 3.222,353 4.173,354 0.86,355 10.926,356 3.165,357 4.019,358 3.184,359 6.107,360 3.723,361 2.762,362 3.534,363 0.86,364 8.884,365 2.654,366 3.99,367 2.944,368 6.004,369 3.581,370 2.621,371 3.385,372 0.8,373 8.477,374 2.532,375 3.661,376 2.881,377 5.598,378 3.574,379 2.609,380 2.962,381 0.4,382 7.553,383 2.5,384 3.581,385 2.563,386 5.43,387 3.225,388 2.275,389 2.703,391 6.902,392 2.147,393 3.369,394 2.558,395 5.379,396 3.153,397 2.21,398 2.68,400 6.793,401 2.069,402 3.339,403 2.386,404 5.097,405 2.919,406 1.976,407 2.508,409 5.958,410 1.907,411 3.21,412 2.256,413 4.899,414 2.875,415 1.919,416 2.307,418 5.572,419 1.731,420 2.985,421 2.196,422 4.865,423 2.751,424 1.778,425 2.049,427 5.369,428 1.703,429 2.676,430 1.841,431 4.249,432 2.439,433 1.456,434 1.73,436 3.525,437 1.424,438 2.529,439 1.651,440 4.121,441 2.293,442 1.348,443 1.495,445 3.419,446 1.262,447 2.491,448 1.434,449 3.924,450 2.253,451 1.29,452 1.486,454 3.241,455 1.245,456 2.318,457 1.38,458 3.603,459 2.234,460 1.253,461 1.313,463 2.892,464 1.212,465 2,466 1.284,467 3.414,468 1.984,469 1,470 1,472 2.275,473 0.983,474 18.914,475 0.485,476 0.896,477 0.023,478 44.25,479 1.135,480 19,481 0.487,482 25.25,483 0.647,484 45.011,485 1.154,486 42.886,487 0.557,488 32.713,489 0.839,490 7.862,491 0.202,492 11.171,493 0.286,494 0.108,496 0.365,501 0.747,502 1.307,503 0.73,504 1.091,505 0.557,506 1.004,507 1.048,508 1.067,509 0.808,510 0.908,511 0.654,512 0.91,513 0.836,514 1.077,515 0.909,516 1.015,517 0.823,518 1,519 0.911,520 1.125,521 0.901,522 1.07,523 1.095,524 1.066,525 0.997,526 0.98,527 0.85,528 0.925,529 0.936,530 0.97,531 0.801,532 1.103,533 0.898,534 1.063,535 1.032,536 1.092,537 0.959,538 0.957,539 1.023,540 0.964,541 1.266,542 0.998,543 0.946,544 1.007,545 1.2,546 1.065,547 0.965,548 1.047,549 7.5,550 0.238,551 4.444,552 3.139,553 2.578,554 1.483,555 0.942,556 0.539,557 0.36,558 0.227,559 29123,560 67974,561 2.155,562 49.4,563 11,564 19,567 1,568 3,569 4,572 1.787,573 2.035,574 3.876,575 -0.434,582 113.612,583 1.475,584 3.467,585 4.814,586 5.494,587 5.572,588 5.598,589 3.31,590 5.061,591 5.262,592 4.134,593 3063.44,594 9.236,595 55047.1,600 482.543,601 1.348,602 5.226,603 0.17,604 0.007,605 0.071,606 0.046,607 0.042,608 0.026,609 0.018,610 0.012,611 0.008,612 0.006,613 0.408,614 0.17,615 0.75,616 0.692,617 222.551,619 -0.103,620 0.052,621 -0.026,622 0.038,623 0.022,624 -0.098,625 0.054,626 0.034,627 0.094,628 0.026,629 0.078,630 0.042,631 -0.013,632 -0.004,633 -0.024,634 0.058,635 -0.011,636 -0.015,637 -0.096,638 -0.035,639 -0.099,640 -0.022,641 -0.086,642 -0.027,643 0.026,644 -0.006,645 0.024,646 -0.011,647 -0.003,648 0.038,649 -0.11,650 -0.031,651 -0.091,652 0.004,653 -0.105,654 -0.031,655 -0.002,656 -0.023,657 0.008,658 -0.088,659 -0.014,660 -0.071,661 -0.042,662 -0.09,663 -0.061,664 -0.094,665 -0.045,666 1.397,667 6.166,668 0.744,669 45.94,670 0.994,671 1.124,672 3.834,673 14.703,674 0.662,675 3.807,676 4.159,677 4.489,678 4.796,679 5.081,680 5.198,681 5.357,682 5.493,683 5.545,684 5.561,685 9.498,686 0.617,687 548.18,688 3.807,689 5.371,690 6.248,691 7.146,692 8.04,693 8.944,694 9.844,695 10.751,696 11.655,697 12.563,698 3.9,701 1,703 1,708 1,714 2,715 5,716 1,720 8,722 17,727 1,734 1,739 2,740 1,741 77,743 18,744 2,745 44,747 82,748 32,749 15,750 7,751 5,752 1,756 6,757 10,758 1,767 7,768 2,770 8,772 16,773 16,774 2,777 1,782 1,786 1,793 38,794 6,795 1,796 7,797 1,802 3,808 0.5,809 3,822 1,828 1,829 5,832 1,833 2,855 1,859 3,864 2,865 1,868 39,876 12,877 1,878 2,880 2,881 1,892 1,893 3.9,896 1,898 2,901 19.167,902 14.376,903 8.556,904 5.088,907 3.539,908 1.382,909 0.996,910 8.02,911 12.796,912 3.998,913 4.595,914 5.205,915 5.796,916 6.386,917 6.723,918 7.055,919 7.363,920 7.581,921 7.505,922 1,923 68,924 14.545,926 6.306,927 0.026,929 7.516,931 28.857,933 25.077,936 2.016,937 78.611,941 435.531,942 136.755,943 37.921,944 39.149,945 47.145,948 136.755,949 521.824,950 37.921,951 21.766,952 28.699,953 47.381,954 65.075,955 58.899,957 435.531,958 39.149,959 435.531,960 174.675,961 47.145,962 39.149,964 388.446,965 94.229,968 36.724,969 103.155,970 73.945,972 435.531,973 85.065,974 175.903,977 435.531,978 67.607,979 72.272,980 18.011,981 103.079,982 435.531,983 85.065,984 175.903,986 0.583,987 0.356,988 0.2,989 0.115,990 32,991 14,992 0.098,993 8,994 3,995 1.207,996 4.976,997 393.431,998 0.207,999 29,1000 200.131,1005 26.863,1006 11.644,1007 5.507,1008 2.17,1009 85.065,1010 9.922,1011 4.95,1015 7.878,1017 18.011,1018 696.499,1019 53.5,1024 13.166,1028 0.27,1031 76.516,1032 86.541,1034 0.235,1035 0.553,1036 0.768,1037 0.877,1038 0.889,1039 0.893,1040 5.274,1041 1.976,1042 6.24,1043 6.793,1044 4.844,1045 5.283,1046 2.14,1047 7.086,1048 4.775,1049 6.468,1050 1.919,1051 7.818,1052 5.958,1053 4.443,1054 5.19,1055 0.325,1056 8.03,1057 4.341,1058 7.786,1059 1.778,1060 9.494,1061 5.572,1062 6.472,1063 7.492,1064 2.2,1065 11.159,1066 6.362,1067 9.139,1068 1.456,1069 11.228,1070 5.369,1071 6.899,1072 8.245,1073 0.268,1074 12.935,1075 6.776,1076 10.529,1077 1.348,1078 12.999,1079 3.525,1080 8.386,1081 10.053,1082 2.45,1083 15.586,1084 8.257,1085 11.942,1086 1.29,1087 14.797,1088 3.419,1089 9.202,1090 11.193,1091 0.188,1092 17.72,1093 9.07,1094 13.376,1095 1.253,1096 16.614,1097 3.241,1098 10.478,1099 12.814,1100 2.807,1101 20.211,1102 10.341,1103 3.235,1104 1,1105 18.446,1106 2.892,1107 11.478,1108 14.141,1109 0.125,1110 22.501,1111 11.343,1112 3.222,1113 11.364,1114 20.291,1115 2.275,1116 12.673,1117 15.687,1118 3.225,1119 24.938,1120 12.534,1121 2.762,1122 10.926,1123 22.146,1124 4.582,1125 13.76,1126 17.104,1127 0.082,1128 27.296,1129 13.622,1130 2.621,1131 8.884,1132 24.009,1133 4.173,1134 14.928,1135 18.621,1136 3.677,1137 29.715,1138 14.788,1139 2.609,1140 8.477,1141 25.879,1142 3.534,1143 16.055,1144 20.082,1145 0.054,1146 32.104,1147 15.915,1148 2.275,1149 7.553,1150 27.756,1151 3.385,1152 17.216,1153 21.59,1154 4.146,1155 34.518,1156 17.074,1157 2.21,1158 6.902,1159 29.638,1160 2.962,1161 18.363,1162 23.074,1163 0.035,1164 36.921,1165 18.219,1166 26625,1167 40847,1168 29.937,1169 50.944,1170 65.909,1171 68.38,1172 68.605,1173 65.989,1174 65.869,1175 80.322,1176 8.395,1177 194.715,1178 63.236,1179 5.651,1180 5.793,1181 6.514,1182 5.268,1183 5.235,1184 7.582,1185 2.555,1186 18.902,1187 5.24,1188 17.918,1189 1.498,1190 1.554,1191 1.559,1192 1.5,1193 1.497,1194 1.825,1195 0.191,1196 4.425,1197 1.437,1198 4.125,1199 4.154,1200 4.13,1201 4.052,1202 7.426,1203 4.056,1204 4.046,1205 4.065,1206 4.003,1207 3.974,1208 5.039,1209 3.977,1210 3.864,1211 3.92,1212 3.783,1213 3.731,1214 4.912,1215 3.727,1216 3.737,1217 3.78,1218 3.741,1219 3.66,1220 4.685,1221 3.645,1222 3.594,1223 3.645,1224 3.497,1225 3.424,1226 4.495,1227 3.432,1228 3.476,1229 3.531,1230 3.419,1231 3.299,1232 4.377,1233 3.3,1234 3.257,1235 3.315,1236 3.283,1237 3.132,1238 4.294,1239 3.122,1240 3.25,1241 3.312,1242 3.063,1243 2.971,1244 4.185,1245 2.973,1246 0.106,1247 0.086,1248 0.155,1249 0.096,1250 0.074,1251 4.651,1252 0.104,1253 3.793,1254 0.029,1255 6.833,1256 0.258,1257 4.227,1258 0.074,1259 3.235,1260 4.582,1261 1.277,1262 11.364,1263 3.24,1264 2.07,1265 2.047,1266 2.148,1267 2.159,1268 1.495,1269 2.159,1270 1.888,1271 1.872,1272 2.088,1273 2.048,1274 1.434,1275 2.065,1276 1.879,1277 1.832,1278 1.957,1279 1.978,1280 1.209,1281 1.968,1282 1.75,1283 1.709,1284 1.927,1285 1.863,1286 1.155,1287 1.892,1288 1.612,1289 1.557,1290 1.823,1291 1.8,1292 1.098,1293 1.812,1294 1.452,1295 1.386,1296 1.699,1297 1.655,1298 0.991,1299 1.673,1300 1.234,1301 1.185,1302 1.575,1303 1.521,1304 0.825,1305 1.538,1306 1.226,1307 1.18,1308 1.566,1309 1.52,1310 0.754,1311 1.532,1312 4.489,1314 5.832,1315 2.398,1316 7.378,1317 4.844,1318 9.02,1319 7.018,1320 10.714,1322 3.262,1323 6.286,1328 12.791,1329 3.797,1330 10.876,1332 0.678,1333 2.567,1340 47.518,1341 113.612,1342 266.959,1343 370.694,1344 423.033,1345 429.033,1346 431.033,1347 69.626,1348 9.257,1349 63.69,1350 63.69,1351 35,1352 13.08,1353 4.248,1354 3.392,1355 55.65,1356 231,1357 190,1358 0.116,1359 287.723,1360 506.12,1361 693.804,1362 187576,1363 1.3,1364 26.932,1365 0.691,1366 0.61,1367 27.432,1368 23.78,1369 19.034,1370 0.433,1371 0.336,1372 14.266,1373 18.12,1374 13.878,1375 11.404,1376 19.322,1377 14.779,1378 17.09,1379 0.271,1380 0.187,1381 17.499,1382 11.794,1383 15.255,1384 0.173,1385 0.105,1386 15.517,1387 9.227,1388 13.08,1389 0.109,1390 0.059,1391 13.314,1392 7.042,1393 11.207,1394 0.07,1395 0.034,1396 11.439,1397 5.432,1398 0.191,1399 121.659,1400 0.183,1401 35.784,1402 0.299,1403 214,1404 535.033,1405 243.236,1406 542.402,1407 743.3,1408 512,1409 258,1410 525.21,1411 283.03,1412 544.573,1413 804.71,1414 513,1415 9.174}
{0 CHEMBL448060,1 1.402,2 7.7,3 3.653,4 13.341,5 76.046,6 7.95,7 0.455,8 3.65,9 3.723,10 3.277,11 3.199,12 4.821,13 3.206,14 4.157,15 4.278,16 3.64,17 3.541,18 5.362,19 3.547,20 4.281,21 4.406,22 3.639,23 3.604,24 5.422,25 3.593,26 4.368,27 4.541,28 3.617,29 3.562,30 5.49,31 3.53,32 4.298,33 4.486,34 3.433,35 3.465,36 5.339,37 3.43,38 4.149,39 4.306,40 3.328,41 3.408,42 5.354,43 3.349,44 4.039,45 4.24,46 3.103,47 3.301,48 5.077,49 3.206,50 3.976,51 4.165,52 2.881,53 3.167,54 5.078,55 3.046,56 0.05,57 0.409,58 6.035,59 3.375,60 5.167,61 3.709,62 0.273,63 0.661,64 12.211,65 5.465,66 23.948,67 6.185,68 0.246,69 0.746,70 13.905,71 6.151,72 21.774,73 6.785,74 0.538,75 0.804,76 17.243,77 6.739,78 34.816,79 8.23,80 0.373,81 0.745,82 16.737,83 6.22,84 32.498,85 7.29,86 0.436,87 0.649,88 13.312,89 5.426,90 37.049,91 6.381,92 0.174,93 0.603,94 12.084,95 5.179,96 17.728,97 6.61,98 0.17,99 0.56,100 11.069,101 4.772,102 25.904,103 5.912,104 14,105 31,106 0.257,107 0.676,108 0.805,109 0.827,110 0.827,111 0.827,112 3.059,113 0.866,114 -3.87,115 -3.83,116 -3.64,121 47.1,122 2,127 1,137 3,138 1,144 2,145 2,146 2,153 1,154 1,160 1,176 6,179 1,180 10,187 7,192 5,200 4,205 3,206 8,214 5,219 2,227 5,231 2,232 4,239 8,244 3,251 6,256 5,264 4,269 1,281 508,282 13.43,283 13.43,284 13.43,285 13.43,286 13.43,287 11.623,288 13.666,289 7.959,290 13.645,291 10.886,292 10.886,293 10.886,294 10.886,295 10.886,296 8.084,297 15.9,298 3.801,299 11.219,300 3.685,301 1.397,302 0.691,303 0.574,304 0.574,305 0.574,306 3.738,310 1,311 1,312 1,313 327,314 3,317 32.469,318 77.645,321 59.946,322 66.435,325 1.13,326 20.533,328 1,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 44,338 154,339 4.662,340 3.641,341 6.835,342 4.217,343 3.242,344 4.593,345 1.674,346 11.37,347 3.161,348 4.024,349 3.311,350 6.01,351 3.597,352 2.622,353 3.555,354 1.151,355 8.498,356 2.55,357 3.674,358 2.717,359 5.427,360 3.254,361 2.285,362 2.956,363 0.68,364 6.885,365 2.221,366 3.591,367 2.571,368 4.898,369 3.171,370 2.18,371 2.872,373 5.568,374 2.141,375 3.4,376 2.439,377 4.656,378 2.95,379 1.962,380 2.688,382 5.167,383 1.917,384 2.74,385 1.815,386 4.092,387 2.276,388 1.334,389 1.746,391 3.338,392 1.25,393 2.598,394 1.356,395 3.854,396 2.095,397 1.13,398 1.577,400 2.911,401 1.085,402 2.342,403 1.196,404 3.432,405 2.054,406 1.086,407 1.306,409 2.377,410 1.04,411 1.994,412 0.898,413 3.125,414 1.551,415 0.569,416 0.758,418 1.393,419 0.555,420 1.334,421 0.773,422 2.846,423 0.969,429 1.168,430 0.26,431 2.444,432 0.695,433 -0.292,434 -0.405,436 -0.744,437 -0.281,438 0.768,439 -0.188,440 2.322,441 0.396,442 -0.56,443 -0.69,445 -1.409,446 -0.532,447 0.527,448 -0.32,449 2.22,450 0.071,451 -0.892,452 -1,454 -2,455 -0.848,456 0.127,457 -0.467,458 1.816,460 -1,461 -1.131,463 -2.408,464 -1,465 0.027,466 -0.833,467 1.532,468 -0.152,469 -1.188,470 -1.687,472 -3.238,473 -1.235,474 9.333,475 0.467,476 0.524,477 0.026,478 25.75,479 1.288,480 13,481 0.65,482 12.75,483 0.638,484 14.263,485 0.713,486 21.267,487 0.625,488 17.307,489 0.865,490 5.298,491 0.265,492 4.35,493 0.218,494 0.143,496 0.375,501 0.78,502 1.138,503 0.691,504 1.103,505 0.626,506 0.921,507 0.928,508 0.943,509 0.719,510 0.913,511 0.569,512 0.794,513 1.176,514 1.147,515 0.999,516 1.124,517 0.927,518 1.039,519 0.776,520 0.961,521 0.814,522 0.955,523 0.703,524 0.906,525 1.268,526 0.836,527 0.971,528 0.821,529 0.966,530 0.822,531 0.913,532 0.972,533 1.099,534 0.995,535 0.749,536 1.073,537 0.672,538 1.077,539 0.96,540 1.092,541 0.799,542 1.097,543 0.838,544 1.384,545 1.286,546 1.413,547 1.412,548 1.451,549 4,551 2.222,552 1.375,553 1.209,554 0.504,555 0.445,556 0.328,557 0.173,558 0.071,559 3457,560 9937,561 2.077,562 41.2,563 6,564 7,565 1,572 1.623,573 1.935,574 2.908,575 -0.787,577 1,579 1,582 47.671,583 1.402,584 3.69,585 4.396,586 4.514,587 4.514,588 4.514,589 2.39,590 3.922,591 4.288,592 3.07,593 583.233,594 7.357,595 5841.51,596 1,597 1,598 1,599 1,600 172.974,601 1.441,602 4.248,603 0.182,605 0.072,606 0.046,607 0.043,608 0.021,609 0.021,610 0.019,611 0.014,612 0.024,613 0.442,614 0.83,615 1,616 1.491,617 87.023,618 -0.028,619 -0.116,620 0.064,621 -0.097,622 -0.068,623 -0.014,624 0.055,625 0.054,626 0.168,627 0.07,628 0.147,629 0.132,630 -0.146,631 -0.16,632 -0.101,633 -0.153,634 -0.103,635 -0.124,636 0.265,637 0.007,638 0.175,639 0.011,640 0.126,641 0.058,642 -0.17,643 0.129,644 0.046,645 0.141,646 -0.091,647 0.146,648 0.097,649 0.005,650 -0.155,651 -0.024,652 0.148,653 -0.127,654 -0.01,655 -0.106,656 -0.029,657 -0.103,658 0.037,659 -0.077,660 -0.08,661 -0.422,662 -0.357,663 -0.44,664 -0.177,665 -0.462,666 2.057,667 4.325,668 0.65,669 14.24,670 1.015,671 1.11,672 2.644,673 6.989,674 0.681,675 3.135,676 3.466,677 3.738,678 4.06,679 4.304,680 4.466,681 4.595,682 4.691,683 4.595,684 4.466,685 4.737,686 0.663,687 270.3,688 3.135,689 4.673,690 5.525,691 6.418,692 7.3,693 8.205,694 9.101,695 10.011,696 10.914,697 11.827,714 2,715 3,718 1,720 3,722 10,739 1,741 34,743 13,744 1,745 22,747 36,748 16,749 8,750 5,751 1,752 3,756 3,757 6,763 2,772 13,773 3,777 3,782 1,784 3,786 2,789 1,790 1,792 1,793 14,794 4,796 4,808 0.333,809 4,828 1,829 2,832 1,833 1,846 1,849 3,850 1,859 1,864 2,868 20,876 1,878 2,893 11.8,896 1,898 3,901 10.333,902 6.917,903 4.361,904 1.986,907 2.829,908 1.412,909 0.979,910 3.365,911 9.689,912 3.434,913 4.065,914 4.674,915 5.321,916 5.873,917 6.355,918 6.79,919 7.201,920 7.313,921 7.432,922 1,923 30,924 7.365,926 3.11,927 0.026,929 7.833,931 13.877,933 11.122,936 2.333,937 46.667,941 164.795,942 112.822,945 56.652,948 112.822,949 221.447,951 17.65,952 4.592,953 59.121,954 32.336,955 50.938,956 16.607,957 153.024,959 164.795,960 112.822,961 56.652,964 164.795,965 56.652,968 22.243,969 62.15,970 28.429,972 164.795,973 56.652,974 112.822,977 164.795,978 36.051,979 76.771,981 56.652,982 164.795,983 56.652,984 112.822,986 0.58,987 0.322,988 0.182,989 0.102,990 16,991 7,992 0.083,993 3,994 2,995 1.308,996 3.2,997 154.056,998 0.308,999 13,1000 84.439,1005 13.005,1006 5.175,1007 2.525,1008 1.507,1009 56.652,1010 5.146,1013 5.376,1015 1.903,1018 334.27,1019 30,1024 11.325,1026 5.095,1028 0.791,1031 34.494,1032 37.744,1034 0.276,1035 0.725,1036 0.864,1037 0.887,1038 0.887,1039 0.887,1040 4.668,1041 1.086,1042 5.517,1043 2.911,1044 4.143,1045 4.749,1046 2.321,1047 6.347,1048 4.086,1049 5.899,1050 0.569,1051 7.083,1052 2.377,1053 3.761,1054 4.663,1056 7.298,1057 3.698,1058 7.224,1060 8.751,1061 1.393,1062 5.74,1063 7.021,1064 3.028,1065 10.435,1066 5.631,1067 8.586,1068 -0.292,1069 10.482,1071 6.176,1072 7.793,1074 12.252,1075 6.057,1076 9.981,1077 -0.56,1078 12.256,1079 -0.744,1080 7.643,1081 9.626,1082 3.91,1083 14.922,1084 7.485,1085 11.401,1086 -0.892,1087 14.06,1088 -1.409,1089 8.468,1090 10.806,1092 17.095,1093 8.294,1094 12.839,1095 -1,1096 15.887,1097 -2,1098 9.738,1099 12.44,1100 4.874,1101 19.609,1102 9.533,1103 3.242,1104 -1.188,1105 17.731,1106 -2.408,1107 10.751,1108 13.811,1110 21.93,1111 10.524,1112 2.622,1113 11.37,1114 19.588,1115 -3.238,1116 11.948,1117 15.371,1118 5.874,1119 24.39,1120 11.694,1121 2.285,1122 8.498,1123 21.457,1124 4.593,1125 13.048,1126 16.827,1128 26.773,1129 12.77,1130 2.18,1131 6.885,1132 23.334,1133 3.555,1134 14.223,1135 18.361,1136 6.891,1137 29.213,1138 13.919,1139 1.962,1140 5.568,1141 25.218,1142 2.956,1143 15.361,1144 19.855,1146 31.622,1147 15.033,1148 1.334,1149 5.167,1150 27.108,1151 2.872,1152 16.531,1153 21.38,1154 7.915,1155 34.055,1156 16.177,1157 1.13,1158 3.338,1159 29.003,1160 2.688,1161 17.688,1162 22.89,1164 36.476,1165 17.309,1166 3453,1167 6007,1168 14.622,1169 23.148,1170 33.503,1171 34.271,1172 33.986,1173 32.822,1174 32.822,1175 44.104,1176 7.01,1177 95.01,1178 31.84,1179 5.491,1180 5.641,1181 6.375,1182 5.305,1183 5.242,1184 7.593,1185 3.349,1186 18.912,1187 5.161,1188 9.652,1189 1.523,1190 1.558,1191 1.545,1192 1.492,1193 1.492,1194 2.005,1195 0.319,1196 4.319,1197 1.447,1198 4.12,1199 4.118,1200 4.096,1201 4.021,1202 7.434,1203 4.037,1204 3.721,1205 3.769,1206 3.635,1207 3.616,1208 5.167,1209 3.604,1210 3.676,1211 3.678,1212 3.597,1213 3.522,1214 4.698,1215 3.543,1216 3.23,1217 3.267,1218 3.138,1219 3.018,1220 4.542,1221 3.028,1222 3.108,1223 3.147,1224 3.002,1225 2.955,1226 4.281,1227 2.966,1228 2.921,1229 3.009,1230 2.794,1231 2.709,1232 3.982,1233 2.725,1234 2.874,1235 2.938,1236 2.512,1237 2.618,1238 3.678,1239 2.57,1240 2.625,1241 2.642,1242 2.499,1243 2.337,1244 3.589,1245 2.388,1246 0.212,1247 0.166,1248 0.311,1249 0.192,1250 0.147,1251 4.662,1252 0.209,1253 3.641,1254 0.076,1255 6.835,1256 0.517,1257 4.217,1258 0.144,1259 3.242,1260 4.593,1261 1.674,1262 11.37,1263 3.161,1264 1.957,1265 1.954,1266 2.01,1267 2.055,1268 1.182,1269 2.037,1270 1.721,1271 1.675,1272 1.935,1273 1.863,1274 1.065,1275 1.889,1276 1.484,1277 1.468,1278 1.616,1279 1.631,1280 0.67,1281 1.618,1282 1.363,1283 1.349,1284 1.515,1285 1.608,1286 0.624,1287 1.572,1288 1.128,1289 1.058,1290 1.473,1291 1.4,1292 0.492,1293 1.426,1294 0.934,1295 0.804,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.752,1301 0.745,1302 0.916,1303 1.038,1305 0.992,1306 0.694,1307 0.69,1308 0.806,1309 0.899,1311 0.865,1312 3.807,1314 5.13,1315 2.398,1316 6.648,1317 4.595,1318 8.274,1319 6.605,1320 9.967,1322 4.026,1328 0.459,1330 11.039,1340 22.547,1341 47.671,1342 125.464,1343 149.464,1344 153.464,1345 153.464,1346 153.464,1347 27.49,1348 6.86,1349 52.58,1350 52.58,1351 17,1352 12.342,1353 3.807,1354 3.17,1355 29.772,1356 54,1357 62,1358 0.272,1359 137.561,1360 243.16,1361 327.409,1362 7576,1364 14.113,1365 0.706,1366 0.565,1367 14.113,1368 11.304,1369 9.648,1370 0.439,1371 0.289,1372 6.247,1373 9.195,1374 6.033,1375 5.04,1376 9.648,1377 6.352,1378 8.921,1379 0.288,1380 0.155,1381 8.921,1382 4.797,1383 7.046,1384 0.172,1385 0.074,1386 7.046,1387 3.028,1388 6.175,1389 0.108,1390 0.036,1391 6.175,1392 2.057,1393 4.926,1394 0.067,1395 0.018,1396 4.926,1397 1.344,1398 0.408,1399 61.098,1400 0.262,1401 19.532,1402 0.803,1403 106,1404 362.942,1405 119.618,1406 336.398,1407 459.52,1408 316,1409 125,1410 340.727,1411 138.289,1412 339.068,1413 499.93,1414 318,1415 4.161}
{0 CHEMBL449467,1 1.371,2 21.227,3 6.177,4 38.155,5 180.809,6 6.09,7 0.261,8 4.641,9 4.782,10 4.02,11 4.103,12 5.569,13 4.045,14 5.245,15 5.472,16 4.293,17 4.479,18 6.072,19 4.384,20 5.508,21 5.76,22 4.403,23 4.671,24 6.314,25 4.543,26 5.64,27 5.902,28 4.365,29 4.741,30 6.433,31 4.581,32 5.708,33 5.996,34 4.334,35 4.761,36 6.492,37 4.58,38 5.699,39 5.987,40 4.268,41 4.739,42 6.428,43 4.555,44 5.659,45 5.945,46 4.158,47 4.698,48 6.383,49 4.496,50 5.622,51 5.93,52 4.053,53 4.604,54 6.301,55 4.383,56 0.092,57 1.377,58 24.821,59 9.596,60 13.78,61 14.004,62 0.531,63 2.164,64 45.131,65 14.634,66 35.941,67 22.491,68 0.63,69 2.63,70 57.571,71 19.721,72 50.247,73 29.601,74 0.73,75 2.842,76 65.184,77 22.508,78 67.026,79 33.537,80 0.738,81 2.964,82 68.705,83 23.542,84 94.96,85 35.701,86 0.725,87 2.89,88 68.21,89 23.122,90 71.284,91 34.881,92 0.724,93 2.757,94 65.357,95 23.063,96 69.254,97 34.134,98 0.562,99 2.578,100 61.999,101 21.613,102 63.38,103 32.708,104 53,105 58,106 0.202,107 0.417,108 0.623,109 0.716,110 0.739,111 0.751,112 3.809,113 1.091,114 -4.45,115 -4.38,116 -4.13,121 36,122 2,123 8,126 2,127 10,144 8,145 2,146 2,160 2,176 14,179 2,180 12,187 12,191 3,192 10,200 6,205 2,206 12,214 6,218 1,219 12,227 8,232 10,239 14,243 2,244 8,251 15,256 6,264 10,268 2,269 6,277 9,281 5112,282 30.275,283 30.275,284 30.275,285 30.275,286 30.275,287 28.512,288 37.21,289 18.592,290 31.059,291 22.474,292 22.474,293 22.474,294 22.474,295 22.474,296 19.706,297 43.194,298 8.522,299 23.442,300 5.273,301 3.816,302 2.42,303 1.79,304 1.63,305 1.55,306 4.494,312 1,313 1936,314 5.292,318 586.883,325 3.934,326 34.518,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 94,338 934,339 4.206,340 3.887,341 6.25,342 3.948,343 2.988,344 3.805,345 2.058,346 9.366,347 2.859,348 4.206,349 3.527,350 6.159,351 3.84,352 2.875,353 3.805,354 1.909,355 9.118,356 2.773,357 4.142,358 3.188,359 6.159,360 3.84,361 2.875,362 3.313,363 0.916,364 9.118,365 2.773,366 3.629,367 3.188,368 5.741,369 3.381,370 2.423,371 2.774,372 0.916,373 7.583,374 2.32,375 3.43,376 2.729,377 5.284,378 3.304,379 2.38,380 2.467,381 0.86,382 6.713,383 2.197,384 3.43,385 2.729,386 5.284,387 3.302,388 2.378,389 2.467,390 0.86,391 6.713,392 2.196,393 2.97,394 2.435,395 4.559,396 2.818,397 1.808,398 2.088,399 0.767,400 4.72,401 1.813,402 2.917,403 2.144,404 4.316,405 2.767,406 1.772,407 2.088,408 0.397,409 4.043,410 1.76,411 2.917,412 1.959,413 4.316,414 2.614,415 1.632,416 1.981,417 0.172,418 4.04,419 1.593,420 2.86,421 1.957,422 3.912,423 2.49,424 1.542,425 1.959,426 0.172,427 3.626,428 1.454,429 2.842,430 1.713,431 3.772,432 2.48,433 1.531,434 1.937,436 3.439,437 1.444,438 2.763,439 1.698,440 3.628,441 2.43,442 1.434,443 1.77,445 3.029,446 1.426,447 2.636,448 1.507,449 3.619,450 2.417,451 1.423,452 1.635,454 3.019,455 1.414,456 2.362,457 1.506,458 3.571,459 2.231,460 1.238,461 1.308,463 2.724,464 1.225,465 2.058,466 1.156,467 3.282,468 2.032,469 1.05,470 1.056,472 2.212,473 1.029,474 20.933,475 0.476,476 0.691,477 0.016,478 43.5,479 0.989,480 16,481 0.364,482 27.5,483 0.625,484 53.892,485 1.225,486 52.267,487 0.523,488 34.771,489 0.79,490 8.348,491 0.19,492 13.134,493 0.298,494 0.127,496 0.22,501 0.786,502 1.674,503 1.002,504 1.422,505 0.566,506 1.262,507 1.161,508 1.136,509 1.087,510 1.025,511 0.657,512 1.029,513 0.97,514 1.065,515 1.019,516 1.054,517 0.935,518 1.037,519 1.098,520 1.113,521 1.095,522 1.106,523 1.196,524 1.104,525 0.861,526 1.018,527 0.982,528 1.011,529 0.964,530 1.008,531 1.093,532 0.945,533 1.057,534 0.975,535 1.051,536 1.004,537 1.047,538 0.973,539 1.109,540 1.055,541 1.1,542 1.089,543 0.804,544 1.041,545 0.95,546 1.031,547 1.03,548 1.016,549 7,550 0.215,551 4,552 2.25,553 2.249,554 1.042,555 0.73,556 0.385,557 0.304,558 0.242,559 43240,560 90964,561 1.995,562 56,563 8,564 34,569 14,572 1.814,573 1.886,574 4.299,575 -0.813,582 137.056,583 1.371,584 2.828,585 4.223,586 4.854,587 5.014,588 5.094,589 3.698,590 4.243,591 5.432,592 4.599,593 4350.6,594 9.565,595 97260,600 664.386,601 1.293,602 5.398,603 0.152,604 0.005,605 0.069,606 0.036,607 0.039,608 0.019,609 0.014,610 0.009,611 0.008,612 0.006,613 0.355,614 0.17,615 0.75,616 0.831,617 269.127,618 0.036,619 -0.309,620 0.062,621 -0.147,622 0.029,623 -0.057,624 -0.04,625 0.05,626 -0.025,627 0.026,628 0.017,629 0.008,630 0.024,631 0.027,633 -0.019,634 0.018,635 -0.012,636 -0.035,637 -0.087,638 -0.087,639 -0.084,640 -0.062,641 -0.093,642 0.014,643 -0.032,644 -0.008,645 -0.025,646 0.064,647 -0.018,648 -0.104,649 0.032,650 -0.07,652 -0.078,653 -0.025,654 -0.083,655 -0.004,656 -0.131,657 -0.064,658 -0.1,659 -0.099,660 -0.008,661 -0.121,662 -0.005,663 -0.064,664 -0.057,665 -0.041,666 1.575,667 5.764,668 0.409,669 81.818,670 0.987,671 1.136,672 3.222,673 10.381,674 0.616,675 3.85,676 4.078,677 4.29,678 4.443,679 4.595,680 4.511,681 4.443,682 4.394,683 4.394,684 4.419,685 12.831,686 0.566,687 608.96,688 3.85,689 5.342,690 6.151,691 6.978,692 7.803,693 8.636,694 9.468,695 10.303,696 11.137,697 11.974,698 4,701 2,705 2,715 8,720 4,722 12,739 2,741 100,743 14,744 2,745 46,747 102,748 36,749 12,750 4,751 8,756 3,757 3,763 2,770 8,772 14,773 22,777 2,782 2,786 2,793 56,794 8,796 8,802 4,808 1,809 4,829 3,844 2,855 2,859 3,864 4,868 44,876 18,878 2,881 4,893 4,896 2,898 2,901 23.333,902 18.633,903 10.444,904 6.725,907 1.675,908 1.213,909 0.922,910 16.838,911 9.537,912 4.007,913 4.407,914 4.808,915 5.175,916 5.563,917 5.399,918 5.396,919 5.39,920 5.376,921 5.332,922 0.929,923 63,924 16.422,926 6.557,927 0.026,929 7.545,931 32.483,933 25.781,936 2.045,937 90,941 659.182,942 182.827,943 12.497,945 72.29,948 182.827,949 731.471,950 12.497,951 39.417,952 47.582,953 75.81,954 59.699,955 45.106,957 659.182,959 659.182,960 195.324,961 72.29,964 494.386,965 237.085,968 71.481,969 123.843,972 659.182,973 84.787,974 182.827,977 659.182,978 67.601,979 127.724,981 72.29,982 659.182,983 84.787,984 182.827,986 0.551,987 0.329,988 0.174,989 0.093,990 19,991 10,992 0.216,993 22,995 1,996 5.575,997 383.999,999 18,1000 196.215,1005 36.031,1006 20.562,1007 12.471,1009 84.787,1010 16.433,1015 4.332,1018 926.796,1019 54,1024 25.528,1028 0.182,1031 98.69,1032 113.626,1034 0.206,1035 0.426,1036 0.636,1037 0.731,1038 0.755,1039 0.767,1040 5.215,1041 1.772,1042 6.08,1043 4.72,1044 4.762,1045 5.094,1046 3.065,1047 6.799,1048 4.683,1049 6.323,1050 1.632,1051 7.583,1052 4.043,1053 4.111,1054 4.635,1055 2.339,1056 7.554,1057 3.971,1058 7.567,1059 1.542,1060 9.19,1061 4.04,1062 6.263,1063 7.024,1064 3.853,1065 10.61,1066 6.098,1067 8.844,1068 1.531,1069 10.86,1070 3.626,1071 6.494,1072 7.44,1073 3.904,1074 12.211,1075 6.26,1076 10.159,1077 1.434,1078 12.572,1079 3.439,1080 8.033,1081 9.292,1082 5.011,1083 14.749,1084 7.781,1085 11.498,1086 1.423,1087 14.311,1088 3.029,1089 8.689,1090 10.122,1091 5.39,1092 16.689,1093 8.374,1094 12.857,1095 1.238,1096 16.069,1097 3.019,1098 9.964,1099 11.745,1100 6.305,1101 19.039,1102 9.628,1103 2.988,1104 1.05,1105 17.84,1106 2.724,1107 10.831,1108 12.786,1109 6.837,1110 21.127,1111 10.441,1112 2.875,1113 9.366,1114 19.621,1115 2.212,1116 11.988,1117 14.292,1118 7.653,1119 23.402,1120 11.572,1121 2.875,1122 9.118,1123 21.409,1124 3.805,1125 12.959,1126 15.449,1127 8.264,1128 25.558,1129 12.494,1130 2.423,1131 9.118,1132 23.203,1133 3.805,1134 14.064,1135 16.889,1136 9.028,1137 27.801,1138 13.57,1139 2.38,1140 7.583,1141 25.002,1142 3.313,1143 15.086,1144 18.113,1145 9.681,1146 29.989,1147 14.547,1148 2.378,1149 6.713,1150 26.804,1151 2.774,1152 16.17,1153 19.513,1154 10.417,1155 32.22,1156 15.597,1157 1.808,1158 6.713,1159 28.609,1160 2.467,1161 17.217,1162 20.778,1163 11.094,1164 34.424,1165 16.602,1166 42182,1167 61350,1168 30.394,1169 61.637,1170 64.713,1171 66.542,1172 67.56,1173 64.554,1174 64.542,1175 75.304,1176 18.056,1177 169.59,1178 62.081,1179 5.206,1180 5.887,1181 6.076,1182 5.015,1183 4.988,1184 6.805,1185 3.571,1186 16.052,1187 4.859,1188 24.048,1189 1.407,1190 1.447,1191 1.469,1192 1.403,1193 1.403,1194 1.637,1195 0.393,1196 3.687,1197 1.35,1198 3.988,1199 4.032,1200 3.91,1201 3.886,1202 7.434,1203 3.886,1204 3.925,1205 3.956,1206 3.861,1207 3.845,1208 7.42,1209 3.844,1210 3.888,1211 3.932,1212 3.816,1213 3.711,1214 4.876,1215 3.723,1216 3.754,1217 3.818,1218 3.605,1219 3.619,1220 4.847,1221 3.604,1222 3.722,1223 3.784,1224 3.588,1225 3.551,1226 4.395,1227 3.556,1228 3.599,1229 3.677,1230 3.447,1231 3.416,1232 4.392,1233 3.412,1234 3.544,1235 3.619,1236 3.378,1237 3.367,1238 4.303,1239 3.36,1240 3.372,1241 3.459,1242 3.195,1243 3.192,1244 4.261,1245 3.174,1246 0.091,1247 0.084,1248 0.136,1249 0.086,1250 0.065,1251 4.206,1252 0.083,1253 3.887,1254 0.045,1255 6.25,1256 0.204,1257 3.948,1258 0.062,1259 2.988,1260 3.805,1261 2.058,1262 9.366,1263 2.859,1264 1.913,1265 1.887,1266 2.056,1267 2.045,1268 1.391,1269 2.047,1270 1.913,1271 1.887,1272 2.05,1273 2.031,1274 1.381,1275 2.039,1276 1.821,1277 1.765,1278 2.012,1279 2.019,1280 1.233,1281 2.013,1282 1.766,1283 1.703,1284 1.994,1285 1.927,1286 1.214,1287 1.953,1288 1.695,1289 1.634,1290 1.898,1291 1.89,1292 1.126,1293 1.903,1294 1.589,1295 1.512,1296 1.855,1297 1.802,1298 1.071,1299 1.824,1300 1.539,1301 1.465,1302 1.809,1303 1.752,1304 1.005,1305 1.778,1306 1.388,1307 1.304,1308 1.71,1309 1.609,1310 0.957,1311 1.647,1312 4.533,1314 5.784,1316 7.228,1318 8.765,1320 10.352,1322 7.846,1328 16.249,1330 11.007,1333 8.422,1340 56.642,1341 137.056,1342 282.798,1343 422.347,1344 485.366,1345 501.366,1346 509.366,1347 128.193,1348 7.861,1349 65.56,1350 65.56,1351 18,1352 12.542,1353 3.907,1354 3.17,1355 103.063,1356 346,1357 268,1358 0.138,1359 353.658,1360 630.52,1361 854.684,1362 39836,1364 31.572,1365 0.718,1366 0.631,1367 31.572,1368 27.769,1369 21.481,1370 0.467,1371 0.364,1372 16.494,1373 20.624,1374 15.989,1375 13.403,1376 21.481,1377 16.726,1378 17.375,1379 0.3,1380 0.204,1381 17.375,1382 11.82,1383 14.442,1384 0.201,1385 0.121,1386 14.442,1387 8.73,1388 11.094,1389 0.132,1390 0.071,1391 11.094,1392 5.941,1393 8.678,1394 0.089,1395 0.042,1396 8.678,1397 4.094,1398 0.234,1399 134.649,1400 0.181,1401 40.858,1402 0.336,1403 208,1404 549.523,1405 227.178,1406 517.706,1407 693.8,1408 488,1409 234,1410 484.223,1411 254.791,1412 491.5,1413 708.32,1414 458,1415 7.799}
{0 CHEMBL449941,1 1.334,2 20.595,3 6.819,4 46.497,5 175.869,6 5.928,7 0.273,8 4.618,9 4.764,10 3.977,11 4.079,12 5.512,13 4.015,14 5.226,15 5.458,16 4.242,17 4.458,18 6.014,19 4.354,20 5.476,21 5.74,22 4.32,23 4.635,24 6.198,25 4.493,26 5.606,27 5.876,28 4.277,29 4.697,30 6.347,31 4.527,32 5.66,33 5.954,34 4.253,35 4.731,36 6.318,37 4.539,38 5.681,39 5.979,40 4.209,41 4.721,42 6.346,43 4.524,44 5.641,45 5.936,46 4.092,47 4.679,48 6.298,49 4.463,50 5.604,51 5.921,52 3.98,53 4.583,54 6.208,55 4.346,56 0.111,57 1.35,58 24.749,59 9.423,60 15.455,61 13.909,62 0.551,63 2.123,64 44.38,65 14.525,66 36.897,67 22.339,68 0.437,69 2.544,70 55.009,71 19.182,72 36.451,73 29.087,74 0.724,75 2.741,76 62.448,77 21.344,78 62.194,79 32.187,80 0.531,81 2.868,82 64.298,83 22.796,84 50.2,85 34.629,86 0.637,87 2.839,88 65.781,89 22.839,90 57.731,91 34.555,92 0.639,93 2.706,94 62.919,95 22.772,96 55.546,97 33.792,98 0.481,99 2.526,100 59.349,101 21.292,102 49.093,103 32.26,104 42,105 55,106 0.198,107 0.406,108 0.613,109 0.716,110 0.741,111 0.753,112 3.764,113 1.112,114 -5.1,115 -5,116 -4.68,121 35.7,122 2,123 8,126 2,127 10,144 8,145 2,146 2,161 1,176 14,179 3,180 12,187 12,192 10,200 6,205 2,206 14,214 6,219 10,227 8,232 8,239 15,243 2,244 6,251 16,256 2,264 11,268 4,269 6,277 10,281 4590,282 29.12,283 29.12,284 29.12,285 29.12,286 29.12,287 27.512,288 37.035,289 17.94,290 29.957,291 21.48,292 21.48,293 21.48,294 21.48,295 21.48,296 18.99,297 44.66,298 8.195,299 22.529,300 5.281,301 3.878,302 2.48,303 1.786,304 1.623,305 1.541,306 4.45,312 1,313 1795,314 5.244,317 153.443,318 372.881,325 3.701,326 24.156,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 89,338 865,339 4.206,340 3.813,341 6.419,342 3.951,343 3.012,344 3.805,345 1.741,346 9.763,347 2.818,348 4.206,349 3.188,350 6.159,351 3.84,352 2.875,353 3.805,354 0.916,355 9.118,356 2.773,357 4.147,358 3.188,359 6.159,360 3.84,361 2.875,362 3.304,363 0.916,364 9.118,365 2.773,366 3.43,367 2.729,368 5.284,369 3.304,370 2.38,371 2.467,372 0.86,373 6.713,374 2.198,375 3.43,376 2.729,377 5.284,378 3.304,379 2.38,380 2.467,381 0.86,382 6.713,383 2.197,384 3.071,385 2.373,386 5.13,387 3.008,388 2.07,389 2.088,390 0.693,391 6.008,392 1.944,393 2.917,394 2.27,395 4.316,396 2.752,397 1.758,398 2.088,399 0.343,400 4.042,401 1.745,402 2.917,403 1.959,404 4.316,405 2.63,406 1.658,407 2.073,408 0.172,409 4.04,410 1.605,411 2.857,412 1.958,413 3.973,414 2.488,415 1.54,416 1.958,417 0.172,418 3.569,419 1.451,420 2.843,421 1.733,422 3.762,423 2.479,424 1.53,425 1.95,427 3.413,428 1.444,429 2.751,430 1.694,431 3.749,432 2.427,433 1.431,434 1.754,436 3.028,437 1.424,438 2.622,439 1.509,440 3.619,441 2.415,442 1.421,443 1.624,445 3.018,446 1.411,447 2.486,448 1.505,449 3.619,450 2.221,451 1.212,452 1.39,454 2.883,455 1.211,456 2.147,457 1.211,458 3.356,459 2.103,460 1.115,461 1.14,463 2.391,464 1.097,465 2.019,466 1.089,467 3.243,468 1.99,469 1.011,470 1.017,472 2.129,473 0.988,474 20.1,475 0.479,476 0.584,477 0.014,478 40.75,479 0.97,480 14.5,481 0.345,482 26.25,483 0.625,484 51.596,485 1.228,486 50.1,487 0.511,488 30.384,489 0.723,490 7.693,491 0.183,492 12.895,493 0.307,494 0.116,496 0.204,501 0.854,502 1.69,503 1.042,504 1.434,505 0.633,506 1.28,507 1.268,508 1.093,509 1.125,510 1.014,511 0.73,512 1.037,513 0.961,514 1.119,515 1.006,516 1.081,517 0.764,518 1.044,519 1.254,520 1.069,521 1.135,522 1.057,523 1.521,524 1.083,525 0.829,526 1.048,527 0.996,528 1.04,529 0.931,530 1.032,531 1.077,532 0.943,533 1.044,534 0.973,535 1.03,536 0.998,537 1.014,538 0.971,539 1.096,540 1.053,541 1.085,542 1.084,543 0.721,544 1.04,545 0.931,546 1.029,547 0.961,548 1.01,549 6,550 0.204,551 3.778,552 2.292,553 1.734,554 0.91,555 0.638,556 0.318,557 0.251,558 0.191,559 38569,560 76644,561 2.009,562 57.1,563 8,564 34,569 14,572 1.802,573 1.909,574 4.255,575 -0.828,582 130.75,583 1.334,584 2.736,585 4.135,586 4.829,587 4.992,588 5.074,589 3.651,590 4.44,591 5.367,592 4.558,593 3924.24,594 9.43,595 85210.4,600 648.242,601 1.232,602 5.337,603 0.136,604 0.005,605 0.069,606 0.04,607 0.033,608 0.018,609 0.013,610 0.008,611 0.007,612 0.005,613 0.332,614 0.33,615 0.75,616 0.817,617 253.951,618 0.055,619 -0.317,620 0.067,621 -0.151,622 0.053,623 -0.059,624 -0.014,625 0.096,626 -0.035,627 0.038,628 0.037,629 0.005,630 -0.019,631 -0.034,632 0.01,633 -0.042,634 0.057,635 -0.012,636 -0.065,637 -0.041,638 -0.109,639 -0.051,640 -0.114,641 -0.083,642 -0.029,643 -0.047,644 -0.025,645 -0.043,646 -0.038,647 -0.034,648 -0.093,649 0.033,650 -0.059,651 0.001,652 -0.067,653 -0.02,654 -0.069,655 -0.004,656 -0.121,657 -0.063,658 -0.099,659 -0.095,660 0.013,661 -0.123,662 0.003,663 -0.064,664 -0.041,665 -0.038,666 1.419,667 5.871,668 0.405,669 72.871,670 0.983,671 1.137,672 3.869,673 14.968,674 0.614,675 3.807,676 4.025,677 4.248,678 4.394,679 4.477,680 4.407,681 4.357,682 4.304,683 4.304,684 4.331,685 12.517,686 0.56,687 580.95,688 3.807,689 5.293,690 6.103,691 6.927,692 7.751,693 8.582,694 9.413,695 10.247,696 11.08,697 11.916,698 4.1,701 2,705 2,715 8,720 4,722 12,739 2,741 98,743 13,744 2,745 44,747 100,748 35,749 12,750 4,751 8,756 3,757 3,761 1,763 2,770 8,772 13,773 22,777 1,782 1,786 1,793 56,794 7,796 7,802 4,808 1,809 3,828 1,829 2,855 2,859 3,864 4,868 42,876 18,878 2,881 4,893 3.1,896 1,898 2,901 22,902 18.217,903 10.028,904 6.683,907 1.702,908 1.219,909 0.924,910 16.331,911 9.472,912 3.951,913 4.344,914 4.766,915 5.128,916 5.479,917 5.329,918 5.344,919 5.338,920 5.323,921 5.277,922 1,923 58,924 15.642,926 6.176,927 0.026,929 7.437,931 31.331,933 24.89,936 1.937,937 81.333,941 659.182,942 177.694,943 12.497,945 47.145,948 177.694,949 706.326,950 12.497,951 39.417,952 47.582,953 75.81,954 25.145,955 45.106,956 4.276,957 659.182,959 659.182,960 190.191,961 47.145,964 494.386,965 211.94,968 71.481,969 118.71,972 659.182,973 59.642,974 177.694,977 659.182,978 62.467,979 127.724,981 47.145,982 659.182,983 59.642,984 177.694,986 0.548,987 0.329,988 0.174,989 0.088,990 18,991 9,992 0.22,993 22,995 1,996 5.465,997 357.998,999 17,1000 186.477,1005 34.374,1006 19.953,1007 11.833,1009 59.642,1010 16.608,1015 4.448,1018 896.517,1019 51,1024 12.871,1028 0.248,1031 96.363,1032 111.417,1034 0.202,1035 0.414,1036 0.625,1037 0.73,1038 0.755,1039 0.767,1040 5.153,1041 1.658,1042 6.023,1043 4.042,1044 4.71,1045 5.03,1046 2.569,1047 6.739,1048 4.618,1049 6.251,1050 1.54,1051 7.523,1052 4.04,1053 4.007,1054 4.511,1055 1.577,1056 7.503,1057 3.827,1058 7.488,1059 1.53,1060 9.129,1061 3.569,1062 6.205,1063 6.96,1064 2.865,1065 10.567,1066 6.014,1067 8.763,1068 1.431,1069 10.802,1070 3.413,1071 6.431,1072 7.361,1073 2.671,1074 12.215,1075 6.144,1076 10.078,1077 1.421,1078 12.519,1079 3.028,1080 7.983,1081 9.243,1082 3.601,1083 14.754,1084 7.69,1085 11.421,1086 1.212,1087 14.267,1088 3.018,1089 8.653,1090 10.073,1091 3.8,1092 16.747,1093 8.272,1094 12.785,1095 1.115,1096 16.036,1097 2.883,1098 9.932,1099 11.713,1100 4.557,1101 19.107,1102 9.537,1103 3.012,1104 1.011,1105 17.82,1106 2.391,1107 10.816,1108 12.757,1109 4.938,1110 21.242,1111 10.345,1112 2.875,1113 9.763,1114 19.615,1115 2.129,1116 11.977,1117 14.273,1118 5.603,1119 23.535,1120 11.48,1121 2.875,1122 9.118,1123 21.419,1124 3.805,1125 12.963,1126 15.432,1127 6.069,1128 25.732,1129 12.399,1130 2.38,1131 9.118,1132 23.23,1133 3.805,1134 14.074,1135 16.877,1136 6.684,1137 27.999,1138 13.475,1139 2.38,1140 6.713,1141 25.045,1142 3.304,1143 15.108,1144 18.102,1145 7.192,1146 30.224,1147 14.448,1148 2.07,1149 6.713,1150 26.865,1151 2.467,1152 16.198,1153 19.505,1154 7.779,1155 32.482,1156 15.496,1157 1.758,1158 6.008,1159 28.689,1160 2.467,1161 17.256,1162 20.771,1163 8.309,1164 34.721,1165 16.496,1166 37571,1167 53112,1168 29.296,1169 60.183,1170 61.558,1171 62.81,1172 64.743,1173 61.599,1174 61.583,1175 71.308,1176 13.35,1177 160.715,1178 58.874,1179 5.194,1180 5.813,1181 6.246,1182 4.988,1183 5.012,1184 6.805,1185 3.026,1186 16.41,1187 4.818,1188 21.478,1189 1.399,1190 1.428,1191 1.471,1192 1.4,1193 1.4,1194 1.621,1195 0.303,1196 3.653,1197 1.338,1198 3.987,1199 4.033,1200 3.908,1201 3.886,1202 7.428,1203 3.886,1204 3.925,1205 3.956,1206 3.861,1207 3.845,1208 4.876,1209 3.844,1210 3.886,1211 3.938,1212 3.804,1213 3.709,1214 4.847,1215 3.716,1216 3.75,1217 3.814,1218 3.6,1219 3.616,1220 4.396,1221 3.601,1222 3.718,1223 3.782,1224 3.582,1225 3.541,1226 4.392,1227 3.546,1228 3.59,1229 3.669,1230 3.431,1231 3.41,1232 4.331,1233 3.405,1234 3.536,1235 3.615,1236 3.367,1237 3.359,1238 4.26,1239 3.351,1240 3.348,1241 3.438,1242 3.138,1243 3.177,1244 4.242,1245 3.154,1246 0.096,1247 0.087,1248 0.146,1249 0.09,1250 0.068,1251 4.206,1252 0.086,1253 3.813,1254 0.04,1255 6.419,1256 0.222,1257 3.951,1258 0.064,1259 3.012,1260 3.805,1261 1.741,1262 9.763,1263 2.818,1264 1.913,1265 1.887,1266 2.052,1267 2.032,1268 1.385,1269 2.04,1270 1.913,1271 1.887,1272 2.051,1273 2.032,1274 1.385,1275 2.039,1276 1.777,1277 1.715,1278 1.999,1279 1.947,1280 1.224,1281 1.965,1282 1.773,1283 1.71,1284 1.999,1285 1.936,1286 1.217,1287 1.961,1288 1.613,1289 1.538,1290 1.867,1291 1.835,1292 1.118,1293 1.845,1294 1.611,1295 1.537,1296 1.861,1297 1.829,1298 1.08,1299 1.844,1300 1.485,1301 1.404,1302 1.776,1303 1.703,1304 1.016,1305 1.734,1306 1.444,1307 1.369,1308 1.731,1309 1.682,1310 0.964,1311 1.698,1312 4.489,1314 5.733,1315 2.398,1316 7.166,1317 4.727,1318 8.687,1319 6.783,1320 10.255,1322 7.942,1328 19.071,1330 11.035,1333 9.109,1340 54.927,1341 130.75,1342 268.163,1343 405.222,1344 473.222,1345 489.222,1346 497.222,1347 102.028,1348 7.77,1349 48.49,1350 48.49,1351 17,1352 12.485,1353 3.807,1354 3,1355 95.592,1356 321,1357 245,1358 0.137,1359 342.996,1360 607.07,1361 828.671,1362 36270,1364 29.995,1365 0.714,1366 0.64,1367 29.995,1368 26.86,1369 20.588,1370 0.468,1371 0.371,1372 16.096,1373 19.798,1374 15.607,1375 13.094,1376 20.588,1377 16.314,1378 16.385,1379 0.298,1380 0.208,1381 16.385,1382 11.446,1383 13.879,1384 0.201,1385 0.124,1386 13.879,1387 8.553,1388 10.637,1389 0.133,1390 0.073,1391 10.637,1392 5.878,1393 7.825,1394 0.09,1395 0.045,1396 7.825,1397 3.925,1398 0.233,1399 128.708,1400 0.185,1401 39.434,1402 0.332,1403 198,1404 485.787,1405 215.13,1406 460.142,1407 625.78,1408 436,1409 223,1410 444.586,1411 241.991,1412 452.538,1413 654.03,1414 422,1415 7.14}
{0 CHEMBL449991,1 1.405,2 16.744,3 7.658,4 58.645,5 161.622,6 6.768,7 0.386,8 4.471,9 4.596,10 3.97,11 4.03,12 5.369,13 3.975,14 5.091,15 5.284,16 4.344,17 4.483,18 5.905,19 4.396,20 5.392,21 5.625,22 4.437,23 4.675,24 6.159,25 4.545,26 5.485,27 5.745,28 4.38,29 4.683,30 6.209,31 4.528,32 5.494,33 5.757,34 4.296,35 4.665,36 6.172,37 4.499,38 5.488,39 5.759,40 4.228,41 4.646,42 6.14,43 4.452,44 5.474,45 5.775,46 4.116,47 4.553,48 6.081,49 4.338,50 5.293,51 5.579,52 4.052,53 4.408,54 5.944,55 4.217,56 0.074,57 1.13,58 19.19,59 8.257,60 11.57,61 11.42,62 0.289,63 1.945,64 37.753,65 14.409,66 26.896,67 20.278,68 0.464,69 2.517,70 52.955,71 19.535,72 39.618,73 27.991,74 0.494,75 2.683,76 57.934,77 21.187,78 45.968,79 30.58,80 0.496,81 2.633,82 57.813,83 21.331,84 40.979,85 30.484,86 0.452,87 2.601,88 58.177,89 21.737,90 39.05,91 31.301,92 0.459,93 2.456,94 60.589,95 21.211,96 40.221,97 30.676,98 0.416,99 2.053,100 52.926,101 17.922,102 35.347,103 25.54,104 14,105 62,106 0.214,107 0.489,108 0.701,109 0.81,110 0.828,111 0.828,112 3.692,113 1.043,114 -6.1,115 -5.94,116 -5.53,121 40.7,123 10,124 2,126 2,127 4,144 5,145 4,146 4,148 2,176 17,180 9,185 3,187 25,191 1,192 8,197 2,200 17,206 8,209 2,211 4,214 19,219 5,224 1,227 15,232 7,237 3,239 15,244 6,249 1,251 5,255 1,256 10,261 1,264 8,269 1,274 1,277 8,281 3017,282 27.082,283 27.082,284 27.082,285 27.082,286 27.082,287 25.045,288 34.422,289 15.911,290 27.79,291 21.666,292 21.666,293 21.666,294 21.666,295 21.666,296 18.308,297 38.708,298 7.458,299 22.664,300 4.935,301 3.131,302 1.739,303 1.025,304 0.908,305 0.908,306 4.412,308 1,313 1460,314 3.674,317 93.869,318 544.391,321 178.207,322 342.522,325 2.572,326 21.529,329 0.5,330 0.5,331 0.67,332 0.9,333 1,334 0.83,335 1,336 0.77,337 81.833,338 653,339 4.651,340 3.373,341 6.833,342 4.214,343 3.235,344 4.582,345 0.86,346 11.364,347 3.165,348 4.422,349 3.34,350 6.398,351 4.081,352 3.096,353 4.088,354 0.86,355 9.988,356 3.053,357 3.99,358 2.973,359 6.004,360 3.685,361 2.718,362 3.534,363 0.8,364 8.477,365 2.632,366 3.87,367 2.943,368 5.948,369 3.58,370 2.61,371 3.181,372 0.4,373 8.444,374 2.532,375 3.657,376 2.869,377 5.547,378 3.521,379 2.573,380 2.961,382 7.51,383 2.431,384 3.583,385 2.562,386 5.427,387 3.216,388 2.265,389 2.7,391 6.887,392 2.144,393 3.366,394 2.385,395 5.258,396 3.172,397 2.227,398 2.676,400 6.69,401 2.086,402 3.299,403 2.266,404 4.899,405 2.88,406 1.979,407 2.323,409 5.573,410 1.77,411 3.093,412 2.236,413 4.838,414 2.781,415 1.792,416 2.285,418 5.388,419 1.703,420 2.874,421 1.84,422 4.717,423 2.724,424 1.771,425 1.89,427 5.118,428 1.688,429 2.693,430 1.721,431 4.121,432 2.482,433 1.516,434 1.746,436 3.469,437 1.458,438 2.501,439 1.713,440 3.944,441 2.402,442 1.413,443 1.501,445 3.327,446 1.393,447 2.465,448 1.436,449 3.943,450 2.249,451 1.256,452 1.464,454 3.006,455 1.246,456 2.223,457 1.427,458 3.623,459 2.039,460 1.136,461 1.204,463 2.841,464 1.013,465 2.025,466 1.096,467 3.465,468 1.984,469 1,470 1,472 2.275,473 0.983,474 19.081,475 0.489,476 0.824,477 0.021,478 42.5,479 1.09,480 17.5,481 0.449,482 25,483 0.641,484 47.022,485 1.206,486 43.319,487 0.535,488 28.747,489 0.737,490 7.29,491 0.187,492 11.816,493 0.303,494 0.09,496 0.335,501 0.82,502 1.326,503 0.778,504 1.116,505 0.687,506 1.041,507 1.169,508 1.089,509 0.851,510 0.938,511 0.813,512 0.95,513 0.822,514 1.122,515 0.935,516 1.038,517 0.753,518 1.033,519 0.761,520 1.047,521 0.869,522 1.028,523 0.749,524 1.031,525 1.056,526 1,527 0.877,528 0.961,529 0.971,530 1.008,531 0.746,532 1.094,533 0.904,534 1.069,535 0.796,536 1.101,537 0.778,538 0.959,539 0.95,540 0.95,541 0.859,542 0.961,543 0.892,544 0.965,545 1.121,546 1.011,547 1.005,548 0.973,549 7.5,550 0.205,551 3.778,552 2.792,553 2.378,554 1.199,555 0.799,556 0.442,557 0.418,558 0.174,559 30709,560 65061,561 2.171,562 51.9,563 14,564 19,567 1,568 2,569 4,570 2,572 1.786,573 2.071,574 3.948,575 -0.46,582 113.831,583 1.405,584 3.209,585 4.6,586 5.315,587 5.432,588 5.432,589 3.332,590 4.805,591 5.262,592 4.213,593 3121.76,594 9.226,595 57633.2,600 513.528,601 1.262,602 5.234,603 0.17,604 0.006,605 0.061,606 0.043,607 0.04,608 0.022,609 0.017,610 0.011,611 0.01,612 0.004,613 0.385,614 0.33,615 0.63,616 0.64,617 224.382,618 0.02,619 -0.1,620 0.057,621 -0.025,622 0.103,623 0.024,624 -0.1,625 0.04,626 0.023,627 0.078,628 0.078,629 0.057,630 0.046,631 -0.056,632 -0.02,633 -0.04,634 0.105,635 -0.033,636 0.049,637 -0.018,638 -0.003,639 -0.058,640 0.076,641 -0.047,642 -0.095,644 -0.037,645 0.001,646 -0.109,647 -0.032,648 -0.012,649 -0.108,650 -0.045,651 -0.094,652 -0.053,653 -0.11,654 -0.012,655 -0.022,656 0.026,657 0.014,658 -0.044,659 0.017,660 0.01,661 -0.02,662 -0.008,663 -0.021,664 -0.043,665 0.015,666 0.905,667 2.182,668 0.744,669 48.247,670 0.987,671 1.125,672 4.865,673 23.671,674 0.654,675 3.807,676 4.143,677 4.454,678 4.762,679 5.037,680 5.142,681 5.293,682 5.421,683 5.472,684 5.481,685 10.003,686 0.603,687 548.23,688 3.807,689 5.361,690 6.229,691 7.119,692 8.003,693 8.899,694 9.789,695 10.688,696 11.583,697 12.483,698 3.7,701 1,703 1,708 1,714 2,715 5,716 1,720 8,722 17,734 1,739 2,740 1,741 81,743 17,744 2,745 44,747 86,748 33,749 15,750 7,751 5,756 6,757 10,758 1,767 8,768 2,770 10,772 15,773 18,774 2,793 42,794 5,795 1,796 6,797 1,802 3,808 0.5,809 2,822 1,828 1,829 5,832 1,833 2,855 1,859 3,864 2,865 1,868 39,876 14,877 1,878 2,880 2,881 1,892 1,893 2.5,898 2,901 18.833,902 14.96,903 8.583,904 5.443,907 3.467,908 1.376,909 0.995,910 8.529,911 12.687,912 3.98,913 4.564,914 5.155,915 5.75,916 6.334,917 6.654,918 6.979,919 7.302,920 7.524,921 7.446,922 0.909,923 65,924 14.516,926 6.188,927 0.026,929 7.37,931 29.338,933 25.52,936 1.87,937 72.944,941 482.615,942 136.69,943 37.921,944 39.149,945 22,948 136.69,949 543.764,950 37.921,951 21.766,952 33.768,953 47.381,954 34.796,955 58.899,957 482.615,958 39.149,959 482.615,960 174.611,961 22,962 39.149,964 411.989,965 92.626,968 41.793,969 98.021,970 73.945,972 482.615,973 59.92,974 175.839,977 482.615,978 67.543,979 72.272,980 18.011,981 77.934,982 482.615,983 59.92,984 175.839,986 0.578,987 0.347,988 0.198,989 0.113,990 31,991 13,992 0.105,993 9,994 3,995 1.207,996 5.084,997 384.791,998 0.207,999 29,1000 190.131,1005 27.171,1006 12.242,1007 6.036,1008 2.239,1009 59.92,1010 10.546,1011 4.966,1015 9.396,1017 18.011,1018 718.374,1019 52.5,1031 79.956,1032 91.162,1034 0.222,1035 0.506,1036 0.726,1037 0.838,1038 0.857,1039 0.857,1040 5.248,1041 1.979,1042 6.209,1043 6.69,1044 4.828,1045 5.252,1046 1.656,1047 7.031,1048 4.751,1049 6.429,1050 1.792,1051 7.768,1052 5.573,1053 4.369,1054 5.121,1055 0.325,1056 7.921,1057 4.242,1058 7.736,1059 1.771,1060 9.424,1061 5.388,1062 6.431,1063 7.446,1064 1.308,1065 11.04,1066 6.301,1067 9.079,1068 1.516,1069 11.138,1070 5.118,1071 6.804,1072 8.173,1073 0.268,1074 12.771,1075 6.638,1076 10.458,1077 1.413,1078 12.891,1079 3.469,1080 8.309,1081 9.996,1082 1.064,1083 15.405,1084 8.14,1085 11.862,1086 1.256,1087 14.671,1088 3.327,1089 9.08,1090 11.122,1091 0.188,1092 17.505,1093 8.887,1094 13.287,1095 1.136,1096 16.47,1097 3.006,1098 10.36,1099 12.752,1100 0.862,1101 19.979,1102 10.159,1103 3.235,1104 1,1105 18.286,1106 2.841,1107 11.327,1108 14.072,1109 0.125,1110 22.245,1111 11.107,1112 3.096,1113 11.364,1114 20.114,1115 2.275,1116 12.517,1117 15.623,1118 0.69,1119 24.669,1120 12.286,1121 2.718,1122 9.988,1123 21.953,1124 4.582,1125 13.578,1126 17.038,1127 0.082,1128 27.012,1129 13.33,1130 2.61,1131 8.477,1132 23.801,1133 4.088,1134 14.736,1135 18.559,1136 0.544,1137 29.422,1138 14.474,1139 2.573,1140 8.444,1141 25.657,1142 3.534,1143 15.843,1144 20.02,1145 0.054,1146 31.803,1147 15.565,1148 2.265,1149 7.51,1150 27.519,1151 3.181,1152 16.992,1153 21.53,1154 0.424,1155 34.213,1156 16.698,1157 2.227,1158 6.887,1159 29.388,1160 2.961,1161 18.122,1162 23.015,1163 0.035,1164 36.612,1165 17.811,1166 27969,1167 40910,1168 30.224,1169 53.012,1170 65.137,1171 66.907,1172 67.406,1173 65.474,1174 65.355,1175 78.8,1176 5.84,1177 189.752,1178 62.489,1179 5.651,1180 5.373,1181 6.518,1182 5.255,1183 5.235,1184 7.582,1185 1.72,1186 18.902,1187 5.165,1188 15.88,1189 1.48,1190 1.521,1191 1.532,1192 1.488,1193 1.485,1194 1.791,1195 0.133,1196 4.313,1197 1.42,1198 4.124,1199 4.154,1200 4.129,1201 4.053,1202 5.04,1203 4.056,1204 4.043,1205 4.07,1206 3.984,1207 3.976,1208 4.923,1209 3.973,1210 3.869,1211 3.925,1212 3.782,1213 3.736,1214 4.685,1215 3.731,1216 3.737,1217 3.78,1218 3.747,1219 3.661,1220 4.495,1221 3.646,1222 3.625,1223 3.688,1224 3.495,1225 3.471,1226 4.409,1227 3.466,1228 3.516,1229 3.566,1230 3.422,1231 3.351,1232 4.331,1233 3.35,1234 3.294,1235 3.355,1236 3.333,1237 3.173,1238 4.206,1239 3.161,1240 3.249,1241 3.315,1242 3.075,1243 2.987,1244 4.143,1245 2.99,1246 0.106,1247 0.077,1248 0.155,1249 0.096,1250 0.074,1251 4.651,1252 0.104,1253 3.373,1254 0.02,1255 6.833,1256 0.258,1257 4.214,1258 0.072,1259 3.235,1260 4.582,1261 0.86,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.149,1267 2.159,1268 1.507,1269 2.159,1270 1.891,1271 1.873,1272 2.096,1273 2.053,1274 1.435,1275 2.071,1276 1.885,1277 1.835,1278 1.969,1279 1.981,1280 1.26,1281 1.975,1282 1.75,1283 1.709,1284 1.929,1285 1.864,1286 1.176,1287 1.893,1288 1.656,1289 1.591,1290 1.892,1291 1.834,1292 1.167,1293 1.859,1294 1.53,1295 1.463,1296 1.788,1297 1.712,1298 1.118,1299 1.741,1300 1.267,1301 1.218,1302 1.579,1303 1.525,1304 0.825,1305 1.543,1306 1.241,1307 1.187,1308 1.575,1309 1.522,1310 0.76,1311 1.538,1312 4.489,1314 5.82,1315 2.398,1316 7.352,1317 4.727,1318 8.98,1319 6.823,1320 10.662,1322 3.454,1323 6.293,1328 16.876,1329 3.829,1330 11.058,1332 1.609,1333 2.678,1340 48.857,1341 113.831,1342 259.927,1343 372.634,1344 430.508,1345 440.018,1346 440.018,1347 59.01,1348 9.22,1349 46.62,1350 46.62,1351 35,1352 13.006,1353 4.17,1354 3.248,1355 55.755,1356 243,1357 201,1358 0.11,1359 296.246,1360 517.27,1361 714.601,1362 187036,1363 1.2,1364 26.769,1365 0.686,1366 0.623,1367 27.269,1368 24.286,1369 19.106,1370 0.434,1371 0.348,1372 14.799,1373 18.255,1374 14.381,1375 11.854,1376 19.395,1377 15.298,1378 17.023,1379 0.275,1380 0.198,1381 17.431,1382 12.268,1383 14.875,1384 0.175,1385 0.112,1386 15.137,1387 9.51,1388 12.894,1389 0.111,1390 0.064,1391 13.129,1392 7.404,1393 10.964,1394 0.072,1395 0.037,1396 11.196,1397 5.71,1398 0.182,1399 121.517,1400 0.182,1401 36.095,1402 0.278,1403 212,1404 479.298,1405 239.133,1406 493.275,1407 683.82,1408 468,1409 253,1410 487.573,1411 275.677,1412 508.608,1413 749.47,1414 479,1415 8.975}
{0 CHEMBL45005,1 0.991,2 3.5,3 2.802,4 7.853,5 36.14,6 5.899,7 0.75,8 2.913,9 3.048,10 2.287,11 2.55,12 3.894,13 2.454,14 3.385,15 3.602,16 2.503,17 2.845,18 4.224,19 2.715,20 3.478,21 3.687,22 2.386,23 2.88,24 4.322,25 2.708,26 3.543,27 3.83,28 1.657,29 2.643,30 4.224,31 2.342,32 3.334,33 3.755,34 0.603,35 1.979,36 3.664,37 1.533,38 1.844,39 2.277,40 0.042,41 0.626,42 1.946,43 0.348,56 0.017,57 0.213,58 4.143,59 1.894,60 4.15,61 2.679,62 0.026,63 0.333,64 6.483,65 2.964,66 5.616,67 4.193,68 0.029,69 0.366,70 7.125,71 3.258,72 6.866,73 4.609,74 0.029,75 0.371,76 7.229,77 3.305,78 8.036,79 4.676,80 0.021,81 0.272,82 5.303,83 2.424,84 5.583,85 3.43,86 0.004,87 0.051,88 0.994,89 0.455,90 0.996,91 0.643,104 5,105 10,106 0.226,107 0.5,108 0.551,109 0.601,110 0.601,111 0.601,112 2.265,113 1.06,114 -4.17,115 -4.11,116 -3.89,121 44.4,122 2,144 4,145 2,176 8,187 10,200 8,214 2,281 24,282 5.19,283 5.19,284 5.19,285 5.19,286 5.19,287 4.334,288 3.283,289 3.174,290 5.19,291 3.917,292 3.917,293 3.917,294 3.917,295 3.917,296 2.785,297 2.08,298 1.493,299 3.917,300 3.179,301 1.973,302 1.751,303 1.528,304 1.528,305 1.528,306 2.805,312 1,313 54,314 1,318 22.133,325 0.5,326 1.194,329 1,330 0.5,331 0.83,332 0.7,334 1,335 1,336 0.72,337 16,338 28,339 4.12,340 2.931,341 5.878,342 3.732,343 2.732,344 3.743,346 7.95,347 2.732,348 2.879,349 1.645,350 4,351 2.414,352 1.414,353 2.051,355 3.464,356 1.414,357 2.813,358 1.466,359 3.583,360 2.414,361 1.414,362 1.936,364 2.938,365 1.414,366 1.258,367 0.321,368 2,369 1,375 0.673,376 -0.508,377 2,378 0.268,379 -0.732,380 -0.959,382 -1.645,383 -0.732,384 -0.071,385 -1.21,386 1.23,387 -0.414,388 -1.414,389 -1.835,391 -3.451,392 -1.414,393 -0.172,394 -1.286,395 1,396 -0.414,397 -1.414,398 -1.936,400 -3.464,401 -1.414,402 -0.5,403 -2,404 0.309,405 -1,406 -2,407 -3,409 -5.792,410 -2,474 4,475 0.5,476 0.195,477 0.024,478 10,479 1.25,480 6,481 0.75,482 4,483 0.5,484 4.209,485 0.526,486 8.6,487 0.478,488 4.265,489 0.533,490 2.097,491 0.262,492 1.707,493 0.213,494 0.25,496 0.25,501 1.063,502 1.063,503 1.063,504 1.063,505 1.264,506 1.063,507 0.893,508 0.893,509 0.893,510 0.893,511 0.742,512 0.893,513 1.275,514 1.275,515 1.275,516 1.275,517 1.1,518 1.275,519 1.381,520 1.381,521 1.381,522 1.381,523 1.506,524 1.381,525 0.51,526 0.51,527 0.51,528 0.51,529 0.581,530 0.51,549 1.5,551 1.111,552 0.375,553 0.222,559 214,560 397,561 1.861,562 55.6,563 6,564 4,572 1.305,573 1.714,574 2.031,575 -0.946,582 17.839,583 0.991,584 2.197,585 2.419,586 2.642,587 2.642,588 2.642,589 1,590 2,591 2.984,592 1.835,593 51.387,594 4.673,595 280.374,600 75.059,601 1.5,602 2.906,603 0.188,605 0.111,606 0.047,607 0.111,613 0.457,614 1,615 0.88,616 0.875,617 21.574,622 -0.174,624 0.11,625 0.11,626 0.11,627 0.11,628 0.158,629 0.11,630 -0.291,631 -0.291,632 -0.291,633 -0.291,634 -0.146,635 -0.291,636 -0.475,637 -0.475,638 -0.475,639 -0.475,640 -0.509,641 -0.475,642 0.32,643 0.32,644 0.32,645 0.32,646 0.265,647 0.32,648 0.8,649 0.8,650 0.8,651 0.8,652 0.766,653 0.8,666 0.299,667 0.12,668 0.75,669 2,670 0.968,671 1.115,672 2.942,673 8.653,674 0.656,675 2.197,676 2.398,677 2.485,678 2.398,679 2.398,680 1.609,681 0.693,685 2.33,686 0.591,687 106.18,688 2.197,689 3.611,690 4.369,691 5.153,692 5.932,693 6.718,694 7.502,695 8.287,696 9.072,697 9.858,715 4,720 2,722 6,741 18,743 6,744 1,745 8,747 18,748 8,749 6,750 2,751 4,756 1,757 1,763 2,772 6,773 2,793 10,808 1,829 1,859 1,864 2,868 8,901 4.667,902 3.833,903 1.861,904 1.063,907 1.241,908 1.3,909 0.923,910 1.336,911 5.384,912 2.485,913 3.02,914 3.458,915 3.804,916 4.202,917 3.446,918 2.151,922 0.333,923 8,924 2.94,925 0.063,926 1.094,927 0.084,929 7.417,931 5.792,932 0.02,933 4.291,934 0.041,935 0.005,936 1.917,937 15.333,938 0.072,941 117.711,942 61.927,948 61.927,949 117.711,951 17.65,953 37.905,955 6.371,957 117.711,959 117.711,960 61.927,964 117.711,968 17.65,969 44.276,972 117.711,974 61.927,977 117.711,978 6.371,979 55.555,982 117.711,984 61.927,986 0.567,987 0.319,988 0.127,989 0.057,990 5,991 2,995 1,996 1.908,997 33.731,999 6,1000 12,1005 5.359,1006 1.994,1007 1.101,1010 8.356,1015 2.736,1018 179.638,1019 11,1031 17.418,1032 20.076,1034 0.238,1035 0.527,1036 0.58,1037 0.633,1038 0.633,1039 0.633,1040 3.597,1041 -2,1042 4.317,1043 -3.464,1044 3.045,1045 3.689,1047 4.977,1048 3.045,1049 4.781,1051 5.808,1052 -5.792,1053 2.565,1054 3.332,1056 5.666,1057 2.565,1058 6.048,1060 7.409,1062 4.489,1063 5.818,1065 8.636,1066 4.489,1067 7.356,1069 9.071,1071 4.796,1072 6.229,1074 10.125,1075 4.796,1076 8.694,1078 10.77,1080 6.24,1081 8.216,1083 12.598,1084 6.24,1085 10.052,1087 12.494,1089 6.917,1090 9.01,1092 14.395,1093 6.917,1094 11.427,1096 14.233,1098 8.139,1099 10.735,1101 16.666,1102 8.139,1103 2.732,1105 15.983,1107 8.983,1108 11.735,1110 18.599,1111 8.983,1112 1.414,1113 7.95,1114 17.74,1116 10.099,1117 13.308,1119 20.774,1120 10.099,1121 1.414,1122 3.464,1123 19.502,1124 3.743,1125 11.023,1126 14.428,1128 22.774,1129 11.023,1131 2.938,1132 21.267,1133 2.051,1134 12.085,1135 15.908,1137 24.901,1138 12.085,1139 -0.732,1141 23.034,1142 1.936,1143 13.048,1144 17.101,1146 26.935,1147 13.048,1148 -1.414,1149 -1.645,1150 24.803,1152 14.084,1153 18.523,1155 29.037,1156 14.084,1157 -1.414,1158 -3.451,1159 26.572,1160 -0.959,1161 15.066,1162 19.761,1164 31.089,1165 15.066,1166 267,1167 387,1168 4.97,1169 11.807,1170 11.375,1171 11.367,1172 11.923,1173 11.121,1174 11.121,1175 15.46,1177 28.704,1178 11.121,1179 4.62,1180 4.931,1181 5.569,1182 4.732,1183 4.732,1184 6.743,1186 13.742,1187 4.732,1188 3.484,1189 1.422,1190 1.421,1191 1.49,1192 1.39,1193 1.39,1194 1.932,1196 3.588,1197 1.39,1198 3.931,1199 3.963,1200 3.856,1201 3.878,1202 4.752,1203 3.869,1204 3.184,1205 3.265,1206 2.993,1207 3.048,1208 3.927,1209 3.025,1210 3.147,1211 3.243,1212 2.919,1213 2.985,1214 3.856,1215 2.957,1216 2.668,1217 2.765,1218 2.401,1219 2.486,1220 3.376,1221 2.452,1222 2.267,1223 2.377,1224 1.961,1225 2.059,1226 2.86,1227 2.019,1228 1.472,1229 1.689,1230 0.845,1231 1.047,1232 1.778,1233 0.965,1234 1.369,1235 1.551,1236 0.838,1237 1.009,1238 1.713,1239 0.939,1240 0.941,1241 1.207,1242 0.083,1243 0.38,1244 0.999,1245 0.262,1246 0.515,1247 0.366,1248 0.735,1249 0.467,1250 0.342,1251 4.12,1252 0.468,1253 2.931,1255 5.878,1256 0.994,1257 3.732,1258 0.342,1259 2.732,1260 3.743,1262 7.95,1263 2.732,1264 1.933,1265 1.904,1266 2.068,1267 2.012,1268 1.18,1269 2.032,1270 1.22,1271 1.145,1272 1.567,1273 1.42,1274 0.629,1275 1.476,1276 1.189,1277 1.1,1278 1.543,1279 1.417,1280 0.588,1281 1.465,1282 0.711,1283 0.619,1284 1.07,1285 0.933,1286 0.122,1287 0.986,1288 0.314,1289 0.209,1290 0.725,1291 0.569,1293 0.628,1296 0.3,1297 0.04,1299 0.142,1302 0.032,1312 2.833,1314 4.043,1316 5.476,1318 7,1320 8.556,1322 4.241,1340 10.634,1341 17.839,1342 39.549,1343 43.549,1344 47.549,1345 47.549,1346 47.549,1347 5.232,1348 4.143,1351 6,1352 10.466,1353 2.807,1354 2,1355 11.915,1356 12,1357 6,1358 0.633,1359 71.334,1360 115.78,1361 165.814,1362 182,1364 5.983,1365 0.748,1366 0.664,1367 5.983,1368 5.309,1369 3.805,1370 0.476,1371 0.353,1372 2.827,1373 3.805,1374 2.626,1375 2.28,1376 3.805,1377 2.827,1378 3.239,1379 0.324,1380 0.208,1381 3.239,1382 2.084,1383 2.54,1384 0.231,1385 0.13,1386 2.54,1387 1.426,1388 1.502,1389 0.15,1390 0.066,1391 1.502,1392 0.663,1393 1.024,1394 0.102,1395 0.037,1396 1.024,1397 0.374,1398 0.848,1399 22.827,1400 0.449,1401 7.576,1402 2.091,1403 36,1404 70,1405 36,1406 74.677,1407 103.3,1408 70,1409 39,1410 75,1411 39,1412 81.194,1413 111.6,1414 75,1415 5.31}
{0 CHEMBL450506,1 1.352,2 21.13,3 6.805,4 46.303,5 188.656,6 6.01,7 0.25,8 4.695,9 4.839,10 4.056,11 4.167,12 5.613,13 4.103,14 5.299,15 5.521,16 4.33,17 4.552,18 6.127,19 4.445,20 5.595,21 5.858,22 4.424,23 4.729,24 6.364,25 4.591,26 5.702,27 5.973,28 4.424,29 4.785,30 6.475,31 4.629,32 5.752,33 6.03,34 4.442,35 4.823,36 6.554,37 4.657,38 5.781,39 6.059,40 4.378,41 4.827,42 6.573,43 4.652,44 5.763,45 6.049,46 4.271,47 4.804,48 6.545,49 4.596,50 5.739,51 6.055,52 4.169,53 4.724,54 6.387,55 4.499,56 0.114,57 1.451,58 26.427,59 10.394,60 15.776,61 15.067,62 0.499,63 2.29,64 47.457,65 16.375,66 41.768,67 24.682,68 0.594,69 2.838,70 62.395,71 20.976,72 56.522,73 31.944,74 0.796,75 3.031,76 69.221,77 22.907,78 69.272,79 34.916,80 0.774,81 3.127,82 72.097,83 24.629,84 83.13,85 37.14,86 0.823,87 3.13,88 74.306,89 25.088,90 90.605,91 37.529,92 0.947,93 3.048,94 72.144,95 25.949,96 109.197,97 38.211,98 0.568,99 2.885,100 68.654,101 24.604,102 60.428,103 37.058,104 53,105 60,106 0.197,107 0.434,108 0.652,109 0.743,110 0.76,111 0.76,112 3.852,113 1.109,114 -4.8,115 -4.72,116 -4.43,121 35.8,122 2,123 12,126 2,127 6,129 2,144 8,145 2,146 2,160 2,176 17,180 12,183 2,185 4,187 14,192 10,196 1,197 6,200 7,205 2,206 12,211 4,214 8,219 10,222 2,224 4,227 14,232 6,237 2,239 22,243 3,244 4,247 2,249 2,251 23,256 4,261 2,264 16,269 10,274 4,277 11,281 6096,282 31.637,283 31.637,284 31.637,285 31.637,286 31.637,287 29.824,288 40.17,289 19.529,290 32.318,291 23.489,292 23.489,293 23.489,294 23.489,295 23.489,296 20.662,297 50.349,298 8.987,299 24.298,300 5.376,301 3.749,302 2.259,303 1.632,304 1.519,305 1.519,306 4.538,312 1,313 2010,314 5.745,318 592.824,325 3.864,326 37.631,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 98,338 972,339 4.206,340 3.616,341 6.181,342 3.87,343 2.899,344 3.805,345 1.907,346 9.224,347 2.81,348 4.206,349 3.574,350 6.159,351 3.84,352 2.875,353 3.805,354 1.907,355 9.118,356 2.773,357 3.955,358 3.188,359 6.159,360 3.84,361 2.875,362 3.041,363 0.916,364 9.118,365 2.773,366 3.658,367 3.188,368 5.284,369 3.391,370 2.396,371 2.828,372 0.916,373 6.713,374 2.388,375 3.448,376 2.855,377 5.284,378 3.307,379 2.381,380 2.518,381 0.86,382 6.713,383 2.246,384 3.429,385 2.729,386 5.139,387 3.298,388 2.362,389 2.467,390 0.86,391 6.382,392 2.192,393 3.421,394 2.728,395 4.926,396 3.213,397 2.193,398 2.465,399 0.172,400 5.734,401 2.182,402 2.917,403 1.959,404 4.316,405 2.639,406 1.655,407 2.088,408 0.172,409 4.044,410 1.626,411 2.917,412 1.959,413 4.316,414 2.607,415 1.619,416 2.088,417 0.149,418 4.037,419 1.598,420 2.845,421 1.711,422 4.22,423 2.482,424 1.532,425 1.954,426 0.149,427 3.891,428 1.446,429 2.845,430 1.694,431 3.694,432 2.477,433 1.522,434 1.953,436 3.257,437 1.444,438 2.626,439 1.676,440 3.664,441 2.425,442 1.432,443 1.627,445 3.159,446 1.421,447 2.603,448 1.505,449 3.62,450 2.422,451 1.427,452 1.598,454 3.022,455 1.419,456 2.434,457 1.505,458 3.611,459 2.381,460 1.384,461 1.415,463 2.999,464 1.377,465 2.421,466 1.481,467 3.592,468 2.353,469 1.359,470 1.414,472 2.954,473 1.347,474 21.933,475 0.477,476 0.707,477 0.015,478 44,479 0.957,480 16,481 0.348,482 28,483 0.609,484 59.906,485 1.302,486 54.867,487 0.518,488 34.929,489 0.759,490 8.07,491 0.175,492 14.395,493 0.313,494 0.122,496 0.219,501 0.813,502 1.561,503 1.034,504 1.376,505 0.593,506 1.246,507 1.058,508 1.226,509 1.099,510 1.131,511 0.625,512 1.114,513 1.054,514 1.094,515 1.034,516 1.04,517 0.979,518 1.027,519 1.136,520 1.064,521 1.076,522 1.027,523 1.094,524 1.038,525 1.004,526 1.038,527 1.01,528 1.027,529 1.302,530 1.018,531 1.319,532 0.968,533 1.116,534 0.996,535 1.519,536 1.028,537 0.924,538 0.988,539 1.084,540 1.071,541 1.022,542 1.1,543 0.677,544 0.977,545 0.877,546 0.986,547 0.812,548 0.961,549 7.5,550 0.297,551 3.778,552 2.25,553 2.267,554 1.042,555 0.769,556 0.51,557 0.254,558 0.242,559 47138,560 96990,561 1.995,562 56.6,563 12,564 28,567 2,568 4,569 14,572 1.827,573 1.89,574 4.31,575 0.04,582 143.325,583 1.352,584 2.979,585 4.469,586 5.096,587 5.209,588 5.209,589 3.708,590 4.437,591 5.496,592 4.593,593 4753.54,594 9.709,595 107978,600 713.16,601 1.264,602 5.465,603 0.156,604 0.006,605 0.063,606 0.035,607 0.037,608 0.017,609 0.013,610 0.01,611 0.006,612 0.005,613 0.348,614 0.17,615 0.75,616 0.81,617 283.433,618 0.014,619 -0.188,620 0.048,621 -0.089,622 0.02,623 -0.027,624 -0.006,625 -0.039,626 -0.041,627 -0.039,628 0.055,629 -0.044,630 -0.05,631 -0.015,632 -0.013,633 -0.024,634 -0.034,635 -0.014,636 -0.043,637 -0.025,638 -0.057,639 -0.035,640 -0.064,641 -0.046,642 0.001,643 -0.028,644 -0.011,645 -0.031,646 -0.032,647 -0.023,648 -0.139,649 0.021,650 -0.102,651 -0.014,652 -0.125,653 -0.047,654 0.043,655 -0.02,656 -0.106,657 -0.072,658 0.048,659 -0.105,660 0.031,661 -0.062,662 0.054,663 -0.021,664 -0.002,665 0.014,666 1.555,667 5.823,668 0.391,669 85.762,670 0.985,671 1.136,672 3.574,673 12.774,674 0.615,675 3.892,676 4.111,677 4.304,678 4.466,679 4.605,680 4.511,681 4.477,682 4.443,683 4.394,684 4.394,685 12.735,686 0.563,687 637.02,688 3.892,689 5.38,690 6.18,691 7.004,692 7.82,693 8.649,694 9.472,695 10.302,696 11.128,697 11.959,698 3.8,701 2,705 2,715 8,720 4,722 12,739 2,741 106,743 14,744 2,745 48,747 108,748 38,749 12,750 4,751 8,756 3,757 3,763 2,767 6,770 14,772 14,773 24,777 2,782 2,786 2,793 60,794 8,795 2,796 8,802 4,808 1,809 4,829 3,843 2,855 2,859 3,864 4,868 46,876 18,877 2,878 2,880 2,881 2,893 3.8,896 2,898 2,901 24.333,902 19.4,903 10.917,904 7.211,907 1.638,908 1.207,909 0.918,910 18.333,911 9.549,912 4.043,913 4.431,914 4.8,915 5.175,916 5.544,917 5.39,918 5.422,919 5.417,920 5.376,921 5.332,922 0.929,923 64,924 17.186,926 6.888,927 0.026,929 7.536,931 34.066,933 27.282,936 2.036,937 93.667,941 682.724,942 184.542,943 42.27,945 72.29,948 184.542,949 755.014,950 42.27,951 39.417,952 79.07,953 75.81,954 59.699,955 45.106,957 682.724,959 682.724,960 226.813,961 72.29,964 517.928,965 237.085,968 102.969,969 123.843,972 682.724,973 114.56,974 184.542,977 682.724,978 69.316,979 121.475,980 36.022,981 72.29,982 682.724,983 114.56,984 184.542,986 0.548,987 0.321,988 0.172,989 0.092,990 19,991 10,992 0.204,993 22,995 1,996 5.696,997 409.425,999 18,1000 208.084,1005 38.011,1006 22.186,1007 14.07,1009 114.56,1010 16.393,1015 4.287,1017 36.022,1018 981.826,1019 56,1024 25.647,1028 0.224,1031 104.457,1032 120.456,1034 0.201,1035 0.443,1036 0.664,1037 0.757,1038 0.774,1039 0.774,1040 5.247,1041 1.655,1042 6.103,1043 5.734,1044 4.796,1045 5.118,1046 2.948,1047 6.804,1048 4.733,1049 6.348,1050 1.619,1051 7.591,1052 4.044,1053 4.111,1054 4.635,1055 2.262,1056 7.516,1057 4.009,1058 7.585,1059 1.532,1060 9.181,1061 4.037,1062 6.279,1063 7.024,1064 3.679,1065 10.567,1066 6.149,1067 8.852,1068 1.522,1069 10.834,1070 3.891,1071 6.463,1072 7.405,1073 3.724,1074 12.147,1075 6.282,1076 10.155,1077 1.432,1078 12.528,1079 3.257,1080 8.019,1081 9.266,1082 4.748,1083 14.676,1084 7.821,1085 11.481,1086 1.427,1087 14.252,1088 3.159,1089 8.631,1090 10.068,1091 5.102,1092 16.613,1093 8.378,1094 12.827,1095 1.384,1096 15.996,1097 3.022,1098 9.913,1099 11.702,1100 5.947,1101 18.952,1102 9.646,1103 2.899,1104 1.359,1105 17.756,1106 2.999,1107 10.744,1108 12.727,1109 6.442,1110 21.044,1111 10.425,1112 2.875,1113 9.224,1114 19.527,1115 2.954,1116 11.9,1117 14.244,1118 7.195,1119 23.309,1120 11.562,1121 2.875,1122 9.118,1123 21.307,1124 3.805,1125 12.842,1126 15.392,1127 7.761,1128 25.468,1129 12.456,1130 2.396,1131 9.118,1132 23.094,1133 3.805,1134 13.94,1135 16.841,1136 8.464,1137 27.703,1138 13.531,1139 2.381,1140 6.713,1141 24.887,1142 3.041,1143 14.937,1144 18.063,1145 9.068,1146 29.892,1147 14.486,1148 2.362,1149 6.713,1150 26.684,1151 2.828,1152 16.01,1153 19.47,1154 9.744,1155 32.115,1156 15.531,1157 2.193,1158 6.382,1159 28.484,1160 2.518,1161 17.036,1162 20.735,1163 10.367,1164 34.318,1165 16.518,1166 46045,1167 66199,1168 31.781,1169 65.16,1170 67.084,1171 69.137,1172 70.259,1173 66.928,1174 67.007,1175 77.793,1176 16.019,1177 174.05,1178 64.932,1179 5.206,1180 5.616,1181 5.956,1182 4.906,1183 4.899,1184 6.805,1185 3.306,1186 15.545,1187 4.81,1188 24.672,1189 1.398,1190 1.44,1191 1.464,1192 1.394,1193 1.396,1194 1.621,1195 0.334,1196 3.626,1197 1.353,1198 3.994,1199 4.04,1200 3.911,1201 3.891,1202 7.431,1203 3.89,1204 3.925,1205 3.956,1206 3.861,1207 3.845,1208 7.426,1209 3.844,1210 3.905,1211 3.952,1212 3.808,1213 3.779,1214 4.877,1215 3.776,1216 3.76,1217 3.818,1218 3.628,1219 3.618,1220 4.847,1221 3.609,1222 3.747,1223 3.807,1224 3.603,1225 3.616,1226 4.398,1227 3.603,1228 3.612,1229 3.679,1230 3.491,1231 3.416,1232 4.392,1233 3.421,1234 3.595,1235 3.663,1236 3.456,1237 3.41,1238 4.375,1239 3.411,1240 3.398,1241 3.471,1242 3.233,1243 3.204,1244 4.269,1245 3.199,1246 0.088,1247 0.075,1248 0.129,1249 0.081,1250 0.06,1251 4.206,1252 0.079,1253 3.616,1254 0.04,1255 6.181,1256 0.192,1257 3.87,1258 0.059,1259 2.899,1260 3.805,1261 1.907,1262 9.224,1263 2.81,1264 1.914,1265 1.887,1266 2.09,1267 2.06,1268 1.478,1269 2.071,1270 1.913,1271 1.887,1272 2.047,1273 2.031,1274 1.36,1275 2.038,1276 1.887,1277 1.834,1278 2.045,1279 2.028,1280 1.359,1281 2.035,1282 1.761,1283 1.702,1284 1.983,1285 1.926,1286 1.194,1287 1.947,1288 1.75,1289 1.69,1290 1.979,1291 1.912,1292 1.194,1293 1.937,1294 1.582,1295 1.512,1296 1.843,1297 1.802,1298 1.033,1299 1.816,1300 1.576,1301 1.505,1302 1.842,1303 1.789,1304 1.032,1305 1.81,1306 1.384,1307 1.313,1308 1.673,1309 1.617,1310 0.908,1311 1.639,1312 4.575,1314 5.82,1316 7.252,1318 8.772,1320 10.338,1322 7.82,1328 16.824,1329 6.523,1330 11.02,1332 0.074,1333 4.855,1340 59.695,1341 143.325,1342 315.747,1343 473.701,1344 540.14,1345 552.14,1346 552.14,1347 145.331,1348 7.911,1349 83.14,1350 83.14,1351 18,1352 12.532,1353 3.907,1354 3.17,1355 110.506,1356 351,1357 296,1358 0.143,1359 372.842,1360 665.12,1361 901.495,1362 44406,1364 32.987,1365 0.717,1366 0.631,1367 32.987,1368 29.029,1369 22.465,1370 0.468,1371 0.37,1372 17.53,1373 21.668,1374 17.027,1375 14.269,1376 22.465,1377 17.741,1378 18.208,1379 0.303,1380 0.21,1381 18.208,1382 12.615,1383 14.704,1384 0.201,1385 0.127,1386 14.704,1387 9.282,1388 11.478,1389 0.133,1390 0.075,1391 11.478,1392 6.477,1393 8.892,1394 0.09,1395 0.046,1396 8.892,1397 4.525,1398 0.24,1399 140.214,1400 0.177,1401 42.088,1402 0.351,1403 216,1404 546.898,1405 234.456,1406 518.069,1407 693.64,1408 488,1409 241,1410 483.533,1411 259.322,1412 490.493,1413 702.91,1414 459,1415 5.262}
{0 CHEMBL450553,1 1.425,2 23.429,3 8.022,4 64.352,5 221.932,6 6.795,7 0.377,8 4.781,9 4.904,10 4.268,11 4.31,12 5.797,13 4.271,14 5.371,15 5.565,16 4.614,17 4.717,18 6.318,19 4.652,20 5.646,21 5.865,22 4.802,23 4.922,24 6.6,25 4.845,26 5.797,27 6.017,28 4.828,29 4.987,30 6.876,31 4.897,32 5.843,33 6.086,34 4.752,35 5.009,36 6.78,37 4.889,38 5.865,39 6.118,40 4.664,41 4.973,42 6.786,43 4.837,44 5.822,45 6.077,46 4.558,47 4.916,48 6.863,49 4.754,50 5.745,51 6.023,52 4.392,53 4.838,54 6.512,55 4.654,56 0.046,57 1.555,58 25.235,59 10.996,60 13.224,61 14.914,62 0.594,63 2.584,64 48.601,65 17.844,66 42.907,67 25.243,68 0.413,69 3.251,70 64.339,71 24.177,72 54.945,73 34.096,74 1.069,75 3.597,76 76.901,77 27.024,78 164.379,79 37.784,80 0.7,81 3.752,82 80.036,83 29.101,84 106.982,85 41.291,86 0.829,87 3.704,88 82.815,89 29.535,90 119.825,91 41.81,92 1.498,93 3.496,94 80.093,95 29.02,96 232.149,97 40.925,98 0.56,99 3.267,100 72.902,101 27.773,102 89.81,103 39.995,104 81,105 84,106 0.202,107 0.449,108 0.62,109 0.703,110 0.724,111 0.734,112 4.045,113 0.999,114 -5.91,115 -5.77,116 -5.37,121 41.1,122 2,123 8,126 2,127 8,144 12,145 8,146 2,160 4,176 25,179 4,180 20,187 26,192 24,200 18,205 4,206 32,214 16,219 26,227 20,232 12,239 30,243 11,244 6,251 34,256 2,264 24,268 4,269 16,277 16,281 9808,282 38.603,283 38.603,284 38.603,285 38.603,286 38.603,287 35.567,288 42.459,289 22.897,290 39.359,291 29.81,292 29.81,293 29.81,294 29.81,295 29.81,296 24.805,297 47.623,298 10.481,299 30.685,300 5.382,301 3.641,302 2.438,303 1.848,304 1.706,305 1.634,306 4.752,313 2806,314 5.657,318 1004.82,322 1189.57,324 576.228,325 4.786,326 64.863,329 0.5,330 0.17,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.63,337 120,338 1312,339 4.872,340 3.964,341 7.282,342 4.485,343 3.489,344 4.814,345 1.349,346 12.998,347 3.473,348 4.407,349 3.886,350 6.834,351 4.131,352 3.147,353 3.851,354 1.349,355 11.209,356 3.089,357 4.206,358 3.347,359 6.282,360 3.84,361 2.875,362 3.805,363 0.916,364 9.181,365 2.773,366 4.206,367 3.325,368 6.159,369 3.84,370 2.875,371 3.805,372 0.916,373 9.118,374 2.773,375 3.88,376 3.188,377 6.159,378 3.57,379 2.605,380 3.322,381 0.86,382 9.118,383 2.533,384 3.87,385 3.188,386 5.986,387 3.513,388 2.496,389 3.113,390 0.86,391 8.188,392 2.504,393 3.673,394 3.004,395 5.903,396 3.331,397 2.38,398 2.959,399 0.8,400 7.843,401 2.357,402 3.43,403 2.729,404 5.717,405 3.304,406 2.38,407 2.567,408 0.8,409 7.239,410 2.198,411 3.43,412 2.729,413 5.284,414 3.303,415 2.303,416 2.467,417 0.172,418 6.713,419 2.197,420 3.359,421 2.201,422 5.284,423 3.052,424 2.083,425 2.467,426 0.172,427 6.713,428 2.013,429 2.917,430 2.001,431 4.513,432 2.755,433 1.76,434 2.088,436 4.046,437 1.749,438 2.917,439 1.968,440 4.316,441 2.712,442 1.72,443 2.088,445 4.042,446 1.704,447 2.862,448 1.948,449 4.316,450 2.49,451 1.541,452 1.964,454 3.894,455 1.454,456 2.854,457 1.924,458 4.1,459 2.486,460 1.538,461 1.958,463 3.535,464 1.449,465 2.814,466 1.917,467 3.896,468 2.43,469 1.434,470 1.944,472 3.438,473 1.426,474 26.6,475 0.475,476 1.127,477 0.02,478 64.5,479 1.152,480 29,481 0.518,482 35.5,483 0.634,484 67.698,485 1.209,486 62.2,487 0.555,488 61.904,489 1.105,490 12.334,491 0.22,492 14.968,493 0.267,494 0.125,496 0.323,501 0.69,502 1.43,503 0.858,504 1.221,505 0.518,506 1.085,507 0.898,508 1.016,509 0.932,510 0.925,511 0.568,512 0.921,513 0.849,514 1.076,515 0.829,516 1,517 0.717,518 0.916,519 1.174,520 1.044,521 1.017,522 0.998,523 1.18,524 0.985,525 0.992,526 1.066,527 1.001,528 1.051,529 1.097,530 1.027,531 1.103,532 1.011,533 1.043,534 1.031,535 1.118,536 1.028,537 0.862,538 0.918,539 1.071,540 1.022,541 0.918,542 1.074,543 0.667,544 1.071,545 0.949,546 1.083,547 0.77,548 1.065,549 8,550 0.438,551 6.222,552 4.5,553 4.347,554 2.014,555 1.577,556 0.826,557 0.55,558 0.476,559 79483,560 179976,561 2.064,562 50,563 8,564 34,569 14,572 1.872,573 1.931,574 4.419,575 -0.818,582 159.618,583 1.425,584 3.167,585 4.369,586 4.959,587 5.102,588 5.173,589 3.869,590 4.522,591 5.767,592 4.711,593 7254.32,594 10.267,595 180292,600 762.424,601 1.41,602 5.737,603 0.131,604 0.007,605 0.074,606 0.045,607 0.044,608 0.022,609 0.02,610 0.012,611 0.009,612 0.008,613 0.372,614 0.17,615 0.38,616 0.777,617 359.131,618 0.012,619 -0.203,620 0.065,621 -0.079,622 0.006,623 -0.015,624 0.034,625 0.131,626 0.045,627 0.1,628 0.037,629 0.079,630 0.014,631 -0.006,632 0.142,633 0.025,634 0.077,635 0.094,636 0.018,637 -0.012,638 -0.004,639 -0.004,640 0.092,641 -0.006,642 -0.054,643 -0.056,644 -0.018,645 -0.054,646 -0.037,647 -0.032,648 -0.081,649 -0.035,650 -0.047,651 -0.049,652 -0.048,653 -0.042,654 0.175,655 0.04,656 -0.074,657 -0.038,658 0.196,659 -0.087,660 0.018,661 -0.136,662 0.006,663 -0.082,664 -0.034,665 -0.049,666 2.035,667 6.752,668 0.5,669 135.939,670 0.994,671 1.125,672 4.684,673 21.942,674 0.648,675 4.127,676 4.443,677 4.779,678 5.069,679 5.361,680 5.525,681 5.714,682 5.911,683 6.125,684 6.217,685 13.661,686 0.608,687 761.06,688 4.127,689 5.673,690 6.544,691 7.433,692 8.328,693 9.233,694 10.142,695 11.059,696 11.979,697 12.905,698 3.6,701 2,705 2,714 2,715 12,720 8,722 23,739 2,741 112,743 27,744 4,745 61,747 117,748 46,749 22,750 10,751 12,752 4,756 6,757 16,763 2,770 8,772 26,773 20,777 4,782 4,786 4,793 56,794 10,796 10,802 4,805 2,808 0.5,809 6,829 6,833 5,835 2,855 2,859 3,864 4,868 56,876 16,878 2,881 4,893 5.4,896 4,898 2,901 29,902 21.3,903 12.833,904 7.576,907 3.997,908 1.4,909 0.967,910 14.477,911 13.988,912 4.35,913 4.894,914 5.514,915 6.113,916 6.707,917 7.084,918 7.534,919 7.928,920 8.377,921 8.594,922 0.938,923 100,924 21.036,926 9.017,927 0.026,929 7.685,931 40.631,933 33.633,936 2.185,937 122.333,941 659.182,942 243.818,943 12.497,945 122.579,948 243.818,949 781.761,950 12.497,951 39.417,952 43.371,953 113.715,954 119.398,955 62.995,957 659.182,959 659.182,960 256.315,961 122.579,964 494.386,965 287.375,968 67.27,969 189.046,972 659.182,973 135.077,974 243.818,977 659.182,978 90.687,979 165.629,981 122.579,982 659.182,983 135.077,984 243.818,986 0.569,987 0.355,988 0.197,989 0.108,990 36,991 18,992 0.188,993 22,994 5,995 1.286,996 6.244,997 611.348,998 0.357,999 26,1000 253.212,1005 41.25,1006 19.654,1007 9.269,1008 0.854,1009 135.077,1010 22.829,1015 5.626,1018 1038.08,1019 76.5,1024 55.01,1028 -1.474,1031 111.345,1032 126.045,1034 0.209,1035 0.465,1036 0.642,1037 0.728,1038 0.749,1039 0.76,1040 5.601,1041 2.38,1042 6.524,1043 7.843,1044 5.13,1045 5.583,1046 2.807,1047 7.378,1048 5.083,1049 6.783,1050 2.303,1051 8.109,1052 7.239,1053 4.691,1054 5.4,1055 0.931,1056 8.401,1057 4.625,1058 8.09,1059 2.083,1060 9.804,1061 6.713,1062 6.753,1063 7.758,1064 2.908,1065 11.572,1066 6.665,1067 9.438,1068 1.76,1069 11.564,1070 6.713,1071 7.201,1072 8.484,1073 1.616,1074 13.454,1075 7.101,1076 10.828,1077 1.72,1078 13.368,1079 4.046,1080 8.694,1081 10.316,1082 3.179,1083 16.172,1084 8.578,1085 12.246,1086 1.541,1087 15.2,1088 4.042,1089 9.551,1090 11.469,1091 2.308,1092 18.416,1093 9.431,1094 13.689,1095 1.538,1096 17.055,1097 3.894,1098 10.838,1099 13.11,1100 3.569,1101 21,1102 10.708,1103 3.489,1104 1.434,1105 18.925,1106 3.535,1107 11.887,1108 14.47,1109 3.001,1110 23.409,1111 11.757,1112 3.147,1113 12.998,1114 20.809,1115 3.438,1116 13.107,1117 16.044,1118 4.033,1119 25.957,1120 12.972,1121 2.875,1122 11.209,1123 22.704,1124 4.814,1125 14.244,1126 17.505,1127 3.682,1128 28.442,1129 14.11,1130 2.875,1131 9.181,1132 24.608,1133 3.851,1134 15.45,1135 19.061,1136 4.543,1137 30.984,1138 15.314,1139 2.605,1140 9.118,1141 26.521,1142 3.805,1143 16.63,1144 20.573,1145 4.347,1146 33.505,1147 16.495,1148 2.496,1149 9.118,1150 28.441,1151 3.805,1152 17.839,1153 22.127,1154 5.081,1155 36.05,1156 17.703,1157 2.38,1158 8.188,1159 30.368,1160 3.322,1161 19.042,1162 23.665,1163 4.997,1164 38.589,1165 18.907,1166 75123,1167 113444,1168 40.569,1169 72.546,1170 89.77,1171 94.257,1172 94.792,1173 89.111,1174 89.134,1175 110.562,1176 16.391,1177 257.448,1178 87.061,1179 5.847,1180 5.964,1181 7.106,1182 5.526,1183 5.489,1184 7.814,1185 2.549,1186 20.998,1187 5.473,1188 31.644,1189 1.472,1190 1.545,1191 1.554,1192 1.461,1193 1.461,1194 1.812,1195 0.269,1196 4.22,1197 1.427,1198 4.188,1199 4.2,1200 4.167,1201 4.13,1202 7.449,1203 4.137,1204 3.966,1205 4.001,1206 3.895,1207 3.878,1208 7.439,1209 3.878,1210 3.925,1211 3.957,1212 3.861,1213 3.845,1214 7.411,1215 3.844,1216 3.794,1217 3.846,1218 3.722,1219 3.641,1220 7.411,1221 3.64,1222 3.766,1223 3.824,1224 3.623,1225 3.639,1226 4.881,1227 3.625,1228 3.688,1229 3.741,1230 3.574,1231 3.502,1232 4.847,1233 3.521,1234 3.601,1235 3.677,1236 3.46,1237 3.434,1238 4.785,1239 3.433,1240 3.532,1241 3.594,1242 3.45,1243 3.42,1244 4.394,1245 3.417,1246 0.08,1247 0.065,1248 0.119,1249 0.074,1250 0.057,1251 4.872,1252 0.079,1253 3.964,1254 0.022,1255 7.282,1256 0.213,1257 4.485,1258 0.057,1259 3.489,1260 4.814,1261 1.349,1262 12.998,1263 3.473,1264 2.133,1265 2.124,1266 2.171,1267 2.201,1268 1.404,1269 2.19,1270 1.913,1271 1.887,1272 2.051,1273 2.032,1274 1.383,1275 2.039,1276 1.913,1277 1.887,1278 2.049,1279 2.031,1280 1.357,1281 2.038,1282 1.78,1283 1.721,1284 1.998,1285 1.949,1286 1.216,1287 1.965,1288 1.765,1289 1.703,1290 1.991,1291 1.923,1292 1.211,1293 1.949,1294 1.631,1295 1.577,1296 1.861,1297 1.846,1298 1.077,1299 1.847,1300 1.59,1301 1.515,1302 1.854,1303 1.799,1304 1.068,1305 1.821,1306 1.504,1307 1.478,1308 1.735,1309 1.716,1310 0.962,1311 1.721,1312 4.812,1314 6.129,1316 7.662,1318 9.31,1320 11.029,1322 7.72,1328 13.273,1330 11.044,1333 7.452,1340 68.071,1341 159.618,1342 354.66,1343 489.365,1344 555.404,1345 571.404,1346 579.404,1347 164.618,1348 9.992,1349 103.08,1350 103.08,1351 36,1352 13.412,1353 4.807,1354 4.044,1355 96.729,1356 452,1357 438,1358 0.1,1359 414.901,1360 743.74,1361 1004.12,1362 459935,1364 39.606,1365 0.707,1366 0.598,1367 39.606,1368 33.48,1369 27.303,1370 0.448,1371 0.333,1372 20.059,1373 26.334,1374 19.517,1375 16.248,1376 27.303,1377 20.313,1378 23.158,1379 0.276,1380 0.176,1381 23.158,1382 14.785,1383 20.9,1384 0.177,1385 0.096,1386 20.9,1387 11.342,1388 17.48,1389 0.111,1390 0.052,1391 17.48,1392 8.145,1393 14.395,1394 0.068,1395 0.028,1396 14.395,1397 5.865,1398 0.167,1399 170.657,1400 0.157,1401 48.453,1402 0.253,1403 290,1404 800.994,1405 314.273,1406 762.713,1407 1041.32,1408 716,1409 347,1410 754.904,1411 373.606,1412 766.353,1413 1136.68,1414 720,1415 5.09}
{0 CHEMBL450931,1 1.437,2 10.5,3 3.723,4 13.861,5 80.516,6 6.533,7 0.3,8 3.776,9 3.912,10 3.207,11 3.247,12 4.858,13 3.205,14 4.303,15 4.519,16 3.446,17 3.554,18 5.329,19 3.473,20 4.502,21 4.738,22 3.469,23 3.666,24 5.458,25 3.559,26 4.583,27 4.834,28 3.407,29 3.616,30 5.582,31 3.511,32 4.454,33 4.687,34 3.352,35 3.557,36 5.508,37 3.459,38 4.398,39 4.632,40 3.251,41 3.53,42 5.416,43 3.408,44 4.322,45 4.579,46 3.121,47 3.489,48 5.239,49 3.341,50 4.232,51 4.475,52 2.953,53 3.384,54 5.214,55 3.212,56 0.03,57 0.567,58 9.683,59 3.779,60 8.613,61 5.394,62 0.349,63 0.842,64 17.275,65 5.639,66 27.994,67 8.481,68 0.157,69 0.953,70 20.843,71 7.284,72 27.173,73 10.611,74 0.323,75 0.937,76 23.341,77 7.186,78 48.731,79 10.431,80 0.264,81 0.865,82 20.353,83 6.464,84 41.789,85 9.343,86 0.292,87 0.823,88 19.115,89 6.428,90 40.528,91 9.226,92 0.171,93 0.787,94 17.314,95 6.239,96 28.307,97 9.119,98 0.217,99 0.715,100 15.847,101 5.873,102 31.945,103 8.422,104 37,105 24,106 0.257,107 0.616,108 0.831,109 0.882,110 0.882,111 0.882,112 3.055,113 1.025,114 -3.77,115 -3.73,116 -3.55,121 38.1,122 1,123 2,126 1,127 3,142 1,143 1,144 4,145 1,146 1,161 1,176 7,179 3,180 3,185 2,187 6,192 3,197 2,200 3,206 8,211 2,214 2,219 6,224 1,227 2,232 4,235 1,237 1,239 5,251 7,256 1,259 2,264 6,269 1,277 3,281 568,282 13.483,283 13.483,284 13.483,285 13.483,286 13.483,287 12.422,288 17.063,289 8.653,290 13.777,291 9.815,292 9.815,293 9.815,294 9.815,295 9.815,296 8.109,297 17.252,298 4.021,299 10.26,300 3.955,301 1.952,302 0.75,303 0.465,304 0.465,305 0.465,306 3.695,310 1,311 1,312 1,313 406,314 3.873,318 76.89,325 1.8,326 16.922,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 43,338 210,339 4.116,340 3.774,341 5.932,342 3.752,343 2.811,344 3.687,345 2.208,346 8.306,347 2.66,348 3.851,349 2.878,350 5.553,351 3.551,352 2.583,353 3.064,354 0.867,355 7.462,356 2.469,357 3.5,358 2.541,359 4.973,360 3.026,361 2.073,362 2.548,363 0.655,364 5.874,365 1.968,366 3.324,367 2.391,368 3.94,369 2.655,370 1.709,371 2.1,372 0.13,373 3.415,374 1.614,375 2.725,376 2.167,377 3.715,378 2.413,379 1.429,380 1.787,382 3.206,383 1.393,384 2.599,385 1.502,386 3.485,387 2.203,388 1.209,389 1.559,391 2.598,392 1.199,393 2.497,394 1.242,395 3.077,396 1.981,397 1,398 1.295,400 1.847,401 0.979,402 1.846,403 1.026,404 2.909,405 1.717,406 0.748,407 0.793,409 1.259,410 0.717,411 1.634,412 0.666,413 2.372,414 1.173,415 0.202,416 0.261,418 0.342,419 0.195,420 1.179,421 0.391,422 2.322,423 0.743,424 -0.221,425 -0.285,427 -0.537,428 -0.209,429 0.848,430 -0.241,431 1.761,432 0.452,433 -0.524,434 -0.6,436 -0.908,437 -0.509,438 0.492,439 -0.331,440 1.702,441 0.369,442 -0.594,443 -0.685,445 -1.037,446 -0.567,447 0.415,448 -0.414,449 1.455,450 -0.001,451 -1,452 -1.333,454 -2.046,455 -0.98,456 0.363,457 -0.721,458 1.267,459 -0.014,460 -1,461 -1.4,463 -2.608,464 -0.989,465 -0.192,466 -0.973,467 1.22,468 -0.413,469 -1.372,470 -1.548,472 -3.199,473 -1.326,474 9.467,475 0.473,476 0.332,477 0.017,478 22,479 1.1,480 10,481 0.5,482 12,483 0.6,484 15.483,485 0.774,486 22.933,487 0.546,488 15.45,489 0.773,490 4.562,491 0.228,492 5.106,493 0.255,494 0.194,496 0.201,501 0.821,502 1.533,503 0.94,504 1.309,505 0.647,506 1.16,507 0.734,508 0.99,509 0.979,510 0.972,511 0.495,512 0.986,513 0.995,514 1.169,515 0.962,516 1.148,517 0.749,518 1.062,519 1.694,520 0.918,521 1.056,522 0.88,523 1.526,524 0.888,525 1.643,526 1.027,527 1.128,528 0.985,529 1.571,530 0.991,531 1.414,532 0.979,533 1.137,534 0.982,535 1.476,536 1.029,537 0.925,538 0.961,539 1.026,540 0.999,541 1.035,542 1.023,543 0.839,544 1.083,545 1.206,546 1.235,547 0.992,548 1.276,549 3.5,550 0.05,551 1.556,552 1,553 0.702,554 0.375,555 0.305,556 0.208,557 0.14,558 0.091,559 3558,560 9204,561 1.888,562 52.4,563 3,564 13,565 1,567 1,569 4,572 1.615,573 1.765,574 3.382,575 -0.32,577 1,579 1,582 60.37,583 1.437,584 3.44,585 4.642,586 4.928,587 4.928,588 4.928,589 2.909,590 4.122,591 4.284,592 3.499,593 664.726,594 7.31,595 7193.01,596 1,597 1,599 1,600 226.477,601 1.371,602 4.246,603 0.175,604 0.007,605 0.065,606 0.042,607 0.032,608 0.018,609 0.016,610 0.012,611 0.011,612 0.009,613 0.387,614 0.67,615 1,616 2.341,617 91.269,618 -0.007,619 -0.26,620 0.03,621 -0.144,622 -0.02,623 -0.066,624 0.302,625 0.148,626 0.022,627 0.03,628 0.161,630 -0.012,631 -0.153,632 0.015,633 -0.135,634 0.028,635 -0.064,636 -0.186,637 0.01,638 -0.015,639 0.056,640 -0.13,641 0.045,642 -0.2,643 -0.044,644 -0.094,645 -0.017,646 -0.159,647 -0.039,648 -0.114,650 -0.126,651 0.007,652 -0.174,653 -0.058,654 -0.093,655 0.03,656 -0.072,657 0.008,658 -0.087,659 -0.023,660 0.034,661 -0.079,662 -0.252,663 -0.216,664 -0.058,665 -0.273,666 1.991,667 4.782,668 0.3,669 19.08,670 0.993,671 1.133,672 2.538,673 6.441,674 0.632,675 3.045,676 3.219,677 3.332,678 3.434,679 3.526,680 3.466,681 3.497,682 3.466,683 3.367,684 3.135,685 6.028,686 0.589,687 274.4,688 3.045,689 4.489,690 5.252,691 6.052,692 6.841,693 7.652,694 8.452,695 9.27,696 10.076,697 10.898,698 4.8,700 1,705 1,715 4,720 2,722 6,737 1,741 42,743 8,744 1,745 20,747 42,748 16,749 6,750 2,751 4,756 1,757 1,763 1,770 2,771 2,772 7,773 7,777 1,782 1,786 1,790 1,793 22,794 4,795 1,796 4,802 2,808 1,809 2,829 1,836 1,837 1,853 1,859 1,864 2,868 20,876 5,877 1,878 1,881 1,885 1,886 1,891 1,893 4.8,896 1,898 1,901 11.333,902 7.95,903 4.861,904 2.614,907 1.415,908 1.242,909 0.901,910 7.602,911 7.255,912 3.296,913 3.651,914 3.994,915 4.384,916 4.786,917 4.774,918 4.934,919 5.118,920 5.037,921 4.904,922 1,923 24,924 7.36,926 2.815,927 0.026,929 7.8,931 14.033,933 10.345,936 2.3,937 46,938 0.001,941 247.193,942 122.056,943 21.135,945 36.145,948 122.056,949 283.338,950 21.135,951 17.222,952 14.51,953 55.916,954 25.145,955 19.429,956 58.885,957 235.422,959 247.193,960 143.191,961 36.145,964 200.109,965 83.229,968 41.346,969 84.814,970 17.031,972 247.193,973 57.28,974 122.056,977 247.193,978 26.578,979 58.251,980 35.041,981 59.466,982 247.193,983 57.28,984 122.056,986 0.537,987 0.296,988 0.148,989 0.076,990 7,991 4,992 0.19,993 8,995 1,996 3.276,997 124.838,999 6,1000 86.439,1005 16.392,1006 9.275,1007 6.377,1009 57.28,1010 7.564,1015 1.686,1017 18.011,1018 426.529,1019 26,1024 11.782,1028 -0.325,1031 41.694,1032 47.567,1034 0.267,1035 0.638,1036 0.861,1037 0.914,1038 0.914,1039 0.914,1040 4.472,1041 0.748,1042 5.165,1043 1.847,1044 3.892,1045 4.331,1046 2.458,1047 5.82,1048 3.804,1049 5.607,1050 0.202,1051 6.629,1052 1.259,1053 3.219,1054 3.829,1055 1.847,1056 6.418,1057 3.061,1058 6.848,1059 -0.221,1060 8.197,1061 0.342,1062 5.323,1063 6.26,1064 3.56,1065 9.457,1066 5.133,1067 8.12,1068 -0.524,1069 9.826,1070 -0.537,1071 5.485,1072 6.572,1073 3.656,1074 10.867,1075 5.213,1076 9.42,1077 -0.594,1078 11.493,1079 -0.908,1080 7.018,1081 8.484,1082 4.961,1083 13.376,1084 6.723,1085 10.739,1086 -1,1087 13.185,1088 -1.037,1089 7.595,1090 9.195,1091 5.37,1092 15.128,1093 7.218,1094 12.073,1095 -1,1096 14.895,1097 -2.046,1098 8.861,1099 10.865,1100 6.459,1101 17.422,1102 8.46,1103 2.811,1104 -1.372,1105 16.616,1106 -2.608,1107 9.651,1108 11.794,1109 7.028,1110 19.339,1111 9.17,1112 2.583,1113 8.306,1114 18.347,1115 -3.199,1116 10.788,1117 13.333,1118 7.994,1119 21.534,1120 10.277,1121 2.073,1122 7.462,1123 20.084,1124 3.687,1125 11.687,1126 14.391,1127 8.654,1128 23.537,1129 11.102,1130 1.709,1131 5.874,1132 21.826,1133 3.064,1134 12.761,1135 15.85,1136 9.549,1137 25.685,1138 12.14,1139 1.429,1140 3.415,1141 23.572,1142 2.548,1143 13.718,1144 16.99,1145 10.263,1146 27.733,1147 13.027,1148 1.209,1149 3.206,1150 25.321,1151 2.1,1152 14.763,1153 18.398,1154 11.116,1155 29.859,1156 14.03,1157 1,1158 2.598,1159 27.074,1160 1.787,1161 15.749,1162 19.592,1163 11.862,1164 31.933,1165 14.95,1166 3849,1167 6281,1168 12.712,1169 26.534,1170 28.783,1171 28.923,1172 28.769,1173 27.574,1174 27.527,1175 34.19,1176 7.72,1177 68.618,1178 26.388,1179 5.003,1180 5.774,1181 5.868,1182 4.817,1183 4.811,1184 6.687,1185 3.912,1186 14.384,1187 4.66,1188 11.335,1189 1.439,1190 1.446,1191 1.438,1192 1.379,1193 1.376,1194 1.71,1195 0.386,1196 3.431,1197 1.319,1198 3.945,1199 3.972,1200 3.881,1201 3.866,1202 7.433,1203 3.864,1204 3.711,1205 3.78,1206 3.598,1207 3.51,1208 5.432,1209 3.513,1210 3.616,1211 3.684,1212 3.496,1213 3.461,1214 4.812,1215 3.461,1216 3.384,1217 3.446,1218 3.238,1219 3.208,1220 4.297,1221 3.202,1222 3.296,1223 3.361,1224 3.143,1225 3.11,1226 4.201,1227 3.118,1228 3.017,1229 3.057,1230 2.84,1231 2.774,1232 4.086,1233 2.782,1234 2.854,1235 2.934,1236 2.699,1237 2.687,1238 3.872,1239 2.681,1240 2.765,1241 2.885,1242 2.589,1243 2.529,1244 3.691,1245 2.525,1246 0.206,1247 0.189,1248 0.297,1249 0.188,1250 0.141,1251 4.116,1252 0.184,1253 3.774,1254 0.11,1255 5.932,1256 0.415,1257 3.752,1258 0.133,1259 2.811,1260 3.687,1261 2.208,1262 8.306,1263 2.66,1264 1.916,1265 1.891,1266 2.04,1267 2.02,1268 1.235,1269 2.026,1270 1.67,1271 1.599,1272 1.936,1273 1.898,1274 1.18,1275 1.91,1276 1.586,1277 1.525,1278 1.795,1279 1.788,1280 0.919,1281 1.796,1282 1.347,1283 1.293,1284 1.646,1285 1.605,1286 0.715,1287 1.621,1288 1.305,1289 1.229,1290 1.571,1291 1.478,1292 0.669,1293 1.513,1294 0.93,1295 0.891,1296 1.29,1297 1.239,1298 0.423,1299 1.222,1300 0.855,1301 0.78,1302 1.152,1303 1.103,1304 0.223,1305 1.149,1306 0.808,1307 0.69,1308 1.124,1309 1.071,1310 0.163,1311 1.102,1312 3.714,1314 4.92,1316 6.312,1318 7.794,1320 9.325,1322 3.757,1328 3.812,1329 3.127,1330 5.331,1333 1.571,1337 5.165,1339 2.53,1340 24.74,1341 60.37,1342 144.477,1343 194.968,1344 206.968,1345 206.968,1346 206.968,1347 43.153,1348 5.841,1349 41.57,1350 41.57,1351 6,1352 11.482,1353 3.17,1354 2.807,1355 49.763,1356 70,1357 82,1358 0.347,1359 160.871,1360 285.84,1361 384.286,1362 2114,1364 14.795,1365 0.74,1366 0.609,1367 14.795,1368 12.186,1369 9.668,1370 0.483,1371 0.342,1372 6.732,1373 9.297,1374 6.495,1375 5.528,1376 9.668,1377 6.831,1378 7.727,1379 0.322,1380 0.19,1381 7.727,1382 4.568,1383 5.778,1384 0.214,1385 0.103,1386 5.778,1387 2.792,1388 4.236,1389 0.141,1390 0.059,1391 4.236,1392 1.763,1393 3.009,1394 0.091,1395 0.03,1396 3.009,1397 0.984,1398 0.553,1399 60.563,1400 0.28,1401 20.53,1402 0.92,1403 88,1404 273.449,1405 98.222,1406 262.904,1407 345.84,1408 244,1409 95,1410 241.501,1411 104.644,1412 245.462,1413 348.54,1414 227,1415 4.812}
{0 CHEMBL450990,1 1.371,2 21.227,3 6.177,4 38.155,5 180.809,6 6.09,7 0.261,8 4.641,9 4.782,10 4.02,11 4.103,12 5.569,13 4.045,14 5.245,15 5.472,16 4.293,17 4.479,18 6.075,19 4.384,20 5.509,21 5.764,22 4.42,23 4.672,24 6.358,25 4.544,26 5.64,27 5.902,28 4.365,29 4.741,30 6.431,31 4.581,32 5.707,33 5.993,34 4.316,35 4.76,36 6.453,37 4.58,38 5.699,39 5.987,40 4.268,41 4.739,42 6.428,43 4.555,44 5.659,45 5.945,46 4.158,47 4.698,48 6.383,49 4.496,50 5.622,51 5.93,52 4.053,53 4.604,54 6.301,55 4.383,56 0.092,57 1.377,58 24.821,59 9.596,60 13.808,61 14.004,62 0.531,63 2.164,64 45.131,65 14.634,66 37.482,67 22.491,68 0.692,69 2.635,70 57.571,71 19.817,72 71.564,73 29.811,74 0.73,75 2.842,76 65.184,77 22.508,78 65.486,79 33.537,80 0.675,81 2.959,82 68.704,83 23.446,84 73.616,85 35.491,86 0.725,87 2.89,88 68.21,89 23.122,90 71.284,91 34.881,92 0.724,93 2.757,94 65.357,95 23.063,96 69.254,97 34.134,98 0.562,99 2.578,100 61.999,101 21.613,102 63.38,103 32.708,104 53,105 58,106 0.202,107 0.413,108 0.615,109 0.716,110 0.739,111 0.751,112 3.809,113 1.094,114 -4.45,115 -4.38,116 -4.13,121 36,122 2,123 8,126 2,127 10,144 8,145 2,146 2,160 2,176 14,179 2,180 12,187 12,191 4,192 10,200 6,205 2,206 12,214 6,219 12,227 8,232 10,239 14,243 2,244 8,251 15,256 6,264 10,268 2,269 6,277 9,281 5196,282 30.327,283 30.327,284 30.327,285 30.327,286 30.327,287 28.627,288 39.565,289 18.582,290 31.137,291 22.437,292 22.437,293 22.437,294 22.437,295 22.437,296 19.733,297 46.923,298 8.482,299 23.424,300 5.273,301 3.841,302 2.47,303 1.79,304 1.63,305 1.55,306 4.494,312 1,313 1936,314 5.292,318 586.883,325 3.934,326 34.47,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 94,338 934,339 4.278,340 3.963,341 6.543,342 4.044,343 3.069,344 3.805,345 1.2,346 10.086,347 2.988,348 4.206,349 3.188,350 6.159,351 3.84,352 2.875,353 3.805,354 1.2,355 9.118,356 2.773,357 4.206,358 3.188,359 6.159,360 3.84,361 2.875,362 3.543,363 0.916,364 9.118,365 2.773,366 3.44,367 3.114,368 5.631,369 3.308,370 2.382,371 2.478,372 0.916,373 7.32,374 2.207,375 3.43,376 2.729,377 5.284,378 3.304,379 2.38,380 2.467,381 0.86,382 6.713,383 2.197,384 3.424,385 2.729,386 5.284,387 3.273,388 2.343,389 2.463,390 0.86,391 6.713,392 2.171,393 2.971,394 2.443,395 4.661,396 2.835,397 1.836,398 2.088,399 0.293,400 4.674,401 1.824,402 2.917,403 2.143,404 4.316,405 2.705,406 1.715,407 2.088,408 0.293,409 4.041,410 1.694,411 2.917,412 1.959,413 4.316,414 2.625,415 1.636,416 1.981,417 0.172,418 4.04,419 1.609,420 2.851,421 1.957,422 3.802,423 2.485,424 1.536,425 1.956,426 0.172,427 3.479,428 1.448,429 2.844,430 1.734,431 3.782,432 2.483,433 1.534,434 1.938,436 3.46,437 1.447,438 2.708,439 1.687,440 3.62,441 2.422,442 1.426,443 1.707,445 3.021,446 1.42,447 2.668,448 1.509,449 3.62,450 2.422,451 1.426,452 1.665,454 3.021,455 1.419,456 2.252,457 1.505,458 3.389,459 2.124,460 1.139,461 1.151,463 2.394,464 1.12,465 2.15,466 1.211,467 3.357,468 2.093,469 1.097,470 1.148,472 2.307,473 1.088,474 20.933,475 0.476,476 0.674,477 0.015,478 43.5,479 0.989,480 16,481 0.364,482 27.5,483 0.625,484 53.906,485 1.225,486 52.267,487 0.523,488 34.837,489 0.792,490 8.3,491 0.189,492 13.199,493 0.3,494 0.127,496 0.22,501 0.786,502 1.674,503 1.002,504 1.422,505 0.566,506 1.262,507 1.161,508 1.136,509 1.087,510 1.025,511 0.643,512 1.029,513 0.799,514 1.061,515 0.962,516 1.05,517 0.601,518 1.019,519 1.098,520 1.113,521 1.095,522 1.106,523 1.205,524 1.104,525 1,526 1.021,527 1.028,528 1.014,529 1.234,530 1.022,531 1.093,532 0.945,533 1.057,534 0.975,535 1.051,536 1.004,537 1.047,538 0.973,539 1.109,540 1.055,541 1.1,542 1.089,543 0.804,544 1.041,545 0.95,546 1.031,547 1.03,548 1.016,549 6.5,550 0.215,551 4.222,552 2.375,553 2.169,554 1.042,555 0.73,556 0.385,557 0.304,558 0.242,559 43232,560 90836,561 1.995,562 56,563 8,564 34,569 14,572 1.814,573 1.886,574 4.299,575 -0.813,582 137.056,583 1.371,584 2.803,585 4.174,586 4.854,587 5.014,588 5.094,589 3.698,590 4.459,591 5.432,592 4.599,593 4350.4,594 9.565,595 97237.3,600 664.386,601 1.293,602 5.398,603 0.141,604 0.005,605 0.073,606 0.037,607 0.037,608 0.019,609 0.014,610 0.009,611 0.008,612 0.006,613 0.349,614 0.17,615 0.75,616 0.831,617 269.117,618 0.036,619 -0.309,620 0.062,621 -0.147,622 0.029,623 -0.057,624 -0.04,625 0.05,626 -0.025,627 0.026,628 0.031,629 0.008,630 0.129,631 0.029,632 0.048,633 -0.015,634 0.211,635 0.007,636 -0.035,637 -0.087,638 -0.087,639 -0.084,640 -0.071,641 -0.093,642 -0.072,643 -0.033,644 -0.047,645 -0.029,646 -0.092,647 -0.034,648 -0.104,649 0.032,650 -0.07,652 -0.078,653 -0.025,654 -0.083,655 -0.004,656 -0.131,657 -0.064,658 -0.1,659 -0.099,660 -0.008,661 -0.121,662 -0.005,663 -0.064,664 -0.057,665 -0.041,666 1.986,667 5.752,668 0.409,669 81.909,670 0.987,671 1.136,672 3.222,673 10.381,674 0.616,675 3.85,676 4.078,677 4.304,678 4.443,679 4.575,680 4.511,681 4.454,682 4.394,683 4.394,684 4.419,685 12.831,686 0.566,687 608.96,688 3.85,689 5.342,690 6.155,691 6.982,692 7.81,693 8.644,694 9.477,695 10.314,696 11.151,697 11.99,698 4,701 2,705 2,715 8,720 4,722 12,739 2,741 100,743 14,744 2,745 46,747 102,748 36,749 12,750 4,751 8,752 2,756 3,757 3,763 2,770 8,772 14,773 22,777 2,782 2,786 2,793 56,794 8,796 8,802 4,808 1,809 4,829 3,844 2,855 2,859 3,864 4,868 44,876 18,878 2,881 4,893 4,896 2,898 2,901 23.333,902 18.633,903 10.472,904 6.787,907 1.675,908 1.213,909 0.922,910 16.838,911 9.537,912 4.007,913 4.407,914 4.84,915 5.175,916 5.532,917 5.399,918 5.414,919 5.39,920 5.376,921 5.332,922 0.929,923 64,924 16.426,926 6.569,927 0.026,929 7.545,931 32.483,933 25.782,936 2.045,937 90,941 659.182,942 182.827,943 12.497,945 72.29,948 182.827,949 731.471,950 12.497,951 39.417,952 47.582,953 75.81,954 59.699,955 45.106,957 659.182,959 659.182,960 195.324,961 72.29,964 494.386,965 237.085,968 71.481,969 123.843,972 659.182,973 84.787,974 182.827,977 659.182,978 67.601,979 127.724,981 72.29,982 659.182,983 84.787,984 182.827,986 0.551,987 0.333,988 0.174,989 0.09,990 19,991 10,992 0.216,993 22,995 1,996 5.57,997 384.365,999 18,1000 196.215,1005 36.031,1006 20.562,1007 12.12,1009 84.787,1010 16.433,1015 4.332,1018 926.796,1019 54,1024 25.504,1028 -0.639,1031 98.69,1032 113.626,1034 0.206,1035 0.422,1036 0.628,1037 0.731,1038 0.755,1039 0.767,1040 5.215,1041 1.715,1042 6.084,1043 4.674,1044 4.762,1045 5.094,1046 2.544,1047 6.812,1048 4.683,1049 6.323,1050 1.636,1051 7.595,1052 4.041,1053 4.111,1054 4.635,1055 0.931,1056 7.603,1057 3.971,1058 7.569,1059 1.536,1060 9.213,1061 4.04,1062 6.271,1063 7.038,1064 2.499,1065 10.673,1066 6.111,1067 8.851,1068 1.534,1069 10.896,1070 3.479,1071 6.524,1072 7.486,1073 1.337,1074 12.322,1075 6.308,1076 10.174,1077 1.426,1078 12.623,1079 3.46,1080 8.06,1081 9.331,1082 2.596,1083 14.888,1084 7.827,1085 11.523,1086 1.426,1087 14.38,1088 3.021,1089 8.744,1090 10.196,1091 1.682,1092 16.876,1093 8.468,1094 12.894,1095 1.139,1096 16.157,1097 3.021,1098 10.02,1099 11.808,1100 2.77,1101 19.269,1102 9.725,1103 3.069,1104 1.097,1105 17.949,1106 2.394,1107 10.915,1108 12.876,1109 2.043,1110 21.406,1111 10.586,1112 2.875,1113 10.086,1114 19.753,1115 2.307,1116 12.079,1117 14.372,1118 2.996,1119 23.732,1120 11.729,1121 2.875,1122 9.118,1123 21.565,1124 3.805,1125 13.076,1126 15.546,1127 2.423,1128 25.939,1129 12.696,1130 2.382,1131 9.118,1132 23.384,1133 3.805,1134 14.194,1135 16.978,1136 3.259,1137 28.239,1138 13.792,1139 2.38,1140 7.32,1141 25.209,1142 3.543,1143 15.24,1144 18.212,1145 2.815,1146 30.482,1147 14.81,1148 2.343,1149 6.713,1150 27.038,1151 2.478,1152 16.341,1153 19.605,1154 3.547,1155 32.772,1156 15.887,1157 1.836,1158 6.713,1159 28.872,1160 2.467,1161 17.411,1162 20.874,1163 3.21,1164 35.036,1165 16.931,1166 42175,1167 61322,1168 30.394,1169 61.637,1170 64.819,1171 66.791,1172 67.71,1173 64.467,1174 64.355,1175 75.043,1176 13.766,1177 169.556,1178 61.877,1179 5.278,1180 5.963,1181 6.371,1182 5.112,1183 5.069,1184 6.805,1185 2.293,1186 17.273,1187 4.988,1188 24.027,1189 1.409,1190 1.452,1191 1.472,1192 1.401,1193 1.399,1194 1.631,1195 0.299,1196 3.686,1197 1.345,1198 3.988,1199 4.032,1200 3.91,1201 3.886,1202 7.497,1203 3.886,1204 3.925,1205 3.956,1206 3.861,1207 3.845,1208 7.352,1209 3.844,1210 3.888,1211 3.933,1212 3.82,1213 3.711,1214 4.876,1215 3.723,1216 3.754,1217 3.818,1218 3.605,1219 3.619,1220 4.847,1221 3.604,1222 3.722,1223 3.784,1224 3.589,1225 3.551,1226 4.395,1227 3.556,1228 3.599,1229 3.677,1230 3.447,1231 3.416,1232 4.392,1233 3.412,1234 3.544,1235 3.619,1236 3.381,1237 3.367,1238 4.312,1239 3.36,1240 3.372,1241 3.459,1242 3.182,1243 3.192,1244 4.26,1245 3.174,1246 0.093,1247 0.086,1248 0.142,1249 0.088,1250 0.067,1251 4.278,1252 0.083,1253 3.963,1254 0.026,1255 6.543,1256 0.219,1257 4.044,1258 0.065,1259 3.069,1260 3.805,1261 1.2,1262 10.086,1263 2.988,1264 1.913,1265 1.887,1266 2.057,1267 2.045,1268 1.394,1269 2.047,1270 1.913,1271 1.887,1272 2.05,1273 2.031,1274 1.381,1275 2.039,1276 1.822,1277 1.765,1278 2.013,1279 2.02,1280 1.244,1281 2.015,1282 1.766,1283 1.703,1284 1.994,1285 1.927,1286 1.213,1287 1.953,1288 1.696,1289 1.634,1290 1.906,1291 1.891,1292 1.152,1293 1.904,1294 1.589,1295 1.512,1296 1.855,1297 1.802,1298 1.071,1299 1.824,1300 1.54,1301 1.465,1302 1.816,1303 1.752,1304 1.025,1305 1.779,1306 1.388,1307 1.304,1308 1.709,1309 1.608,1310 0.956,1311 1.647,1312 4.533,1314 5.784,1316 7.232,1318 8.775,1320 10.368,1322 7.846,1328 17.094,1330 11.007,1333 8.422,1340 56.642,1341 137.056,1342 280.307,1343 417.366,1344 485.366,1345 501.366,1346 509.366,1347 128.115,1348 7.861,1349 65.56,1350 65.56,1351 18,1352 12.556,1353 3.907,1354 3.17,1355 103.07,1356 344,1357 270,1358 0.138,1359 353.658,1360 630.52,1361 854.684,1362 39836,1364 31.572,1365 0.718,1366 0.631,1367 31.572,1368 27.769,1369 21.498,1370 0.467,1371 0.365,1372 16.537,1373 20.645,1374 16.047,1375 13.449,1376 21.498,1377 16.769,1378 17.245,1379 0.297,1380 0.203,1381 17.245,1382 11.774,1383 14.708,1384 0.201,1385 0.12,1386 14.708,1387 8.769,1388 11.111,1389 0.132,1390 0.071,1391 11.111,1392 5.972,1393 8.413,1394 0.088,1395 0.043,1396 8.413,1397 4.087,1398 0.234,1399 134.75,1400 0.181,1401 40.857,1402 0.336,1403 208,1404 549.523,1405 227.178,1406 517.828,1407 695.88,1408 488,1409 235,1410 488.223,1411 256.565,1412 495.387,1413 717.68,1414 462,1415 7.162}
{0 CHEMBL451277,1 1.339,2 15.634,3 6.612,4 43.723,5 169.159,6 6.546,7 0.478,8 4.499,9 4.635,10 3.967,11 4.068,12 5.427,13 4.012,14 5.093,15 5.293,16 4.317,17 4.493,18 5.956,19 4.404,20 5.409,21 5.663,22 4.428,23 4.654,24 6.219,25 4.543,26 5.43,27 5.677,28 4.387,29 4.664,30 6.261,31 4.541,32 5.474,33 5.726,34 4.318,35 4.702,36 6.246,37 4.552,38 5.537,39 5.804,40 4.207,41 4.71,42 6.261,43 4.52,44 5.556,45 5.861,46 4.063,47 4.614,48 6.216,49 4.396,50 5.408,51 5.726,52 4.013,53 4.445,54 6.061,55 4.254,56 0.089,57 1.227,58 19.678,59 8.14,60 10.462,61 11.646,62 0.269,63 2.074,64 36.607,65 14.012,66 25.795,67 20.587,68 0.407,69 2.664,70 51.298,71 18.024,72 42.855,73 27.073,74 0.542,75 2.737,76 52.678,77 18.16,78 51.294,79 27.152,80 0.476,81 2.778,82 54.615,83 20.057,84 47.037,85 29.554,86 0.452,87 2.837,88 57.902,89 22.541,90 51.842,91 32.908,92 0.475,93 2.757,94 59.539,95 22.418,96 55.128,97 33.274,98 0.424,99 2.382,100 51.697,101 18.519,102 43.136,103 27.856,104 6,105 63,106 0.201,107 0.484,108 0.645,109 0.755,110 0.801,111 0.809,112 3.741,113 1.026,114 -5.15,115 -5.05,116 -4.72,121 41.7,122 1,123 11,127 4,144 8,145 4,146 2,148 4,160 1,176 17,179 1,180 12,185 6,187 18,192 9,197 5,200 12,206 6,209 3,211 8,214 19,219 1,222 1,224 4,227 24,232 4,235 1,237 2,239 22,244 5,247 1,249 3,251 12,255 1,256 8,264 6,268 1,269 10,273 1,277 10,281 3614,282 28.587,283 28.587,284 28.587,285 28.587,286 28.587,287 25.829,288 31.031,289 17.34,290 28.889,291 22.79,292 22.79,293 22.79,294 22.79,295 22.79,296 18.457,297 34.603,298 8.232,299 23.296,300 5.053,301 3.168,302 2.096,303 1.366,304 1.057,305 1.009,306 4.462,312 1,313 1441,314 4.472,318 620.078,322 710.389,325 2.415,326 25.745,329 0.75,330 0.5,331 0.67,332 0.7,333 0.5,334 0.67,335 0.5,336 0.61,337 85.5,338 641,339 4.64,340 3.666,341 6.829,342 4.207,343 3.226,344 4.564,345 1.94,346 11.348,347 3.162,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 4.564,354 0.555,355 11.348,356 3.162,357 3.914,358 3.361,359 5.982,360 3.676,361 2.721,362 3.437,363 0.4,364 8.37,365 2.594,366 3.914,367 2.669,368 5.982,369 3.524,370 2.532,371 3.437,372 0.4,373 8.37,374 2.512,375 3.882,376 2.668,377 5.91,378 3.524,379 2.532,380 3.031,382 8.133,383 2.512,384 3.522,385 2.383,386 5.381,387 3.134,388 2.18,389 2.893,391 6.711,392 2.077,393 3.521,394 2.355,395 5.381,396 3.131,397 2.177,398 2.892,400 6.711,401 2.074,402 2.94,403 2.309,404 4.116,405 2.698,406 1.704,407 2.142,409 3.652,410 1.69,411 2.939,412 1.806,413 4.116,414 2.598,415 1.615,416 2.142,418 3.552,419 1.583,420 2.835,421 1.724,422 4,423 2.512,424 1.522,425 1.829,427 3.329,428 1.505,429 2.707,430 1.555,431 3.965,432 2.502,433 1.509,434 1.73,436 3.329,437 1.497,438 2.608,439 1.495,440 3.873,441 2.345,442 1.347,443 1.634,445 3.291,446 1.343,447 2.563,448 1.441,449 3.693,450 2.345,451 1.347,452 1.574,454 3.185,455 1.343,456 2.49,457 1.422,458 3.601,459 2.242,460 1.25,461 1.489,463 2.902,464 1.24,465 2.486,466 1.35,467 3.594,468 2.242,469 1.247,470 1.485,472 2.902,473 1.24,474 19.833,475 0.484,476 0.743,477 0.018,478 48.5,479 1.183,480 22.5,481 0.549,482 26,483 0.634,484 45.931,485 1.12,486 44.367,487 0.528,488 35.563,489 0.867,490 8.534,491 0.208,492 11.653,493 0.284,494 0.042,496 0.297,501 0.811,502 1.304,503 0.915,504 1.108,505 0.588,506 1.031,507 0.851,508 1.227,509 0.974,510 1.086,511 0.578,512 1.043,513 1.182,514 1.056,515 0.926,516 0.907,517 0.987,518 0.893,519 1.375,520 1.024,521 1.123,522 0.992,523 1.22,524 1.025,525 1.242,526 1.007,527 1.165,528 1.054,529 1.156,530 1.092,531 0.901,532 1.098,533 1.147,534 1.172,535 0.993,536 1.182,537 0.771,538 0.989,539 0.98,540 1.023,541 0.81,542 1.022,543 0.845,544 0.857,545 0.83,546 0.84,547 0.729,548 0.832,549 5,550 0.343,551 4.222,552 2.75,553 2.48,554 0.875,555 0.519,556 0.292,557 0.39,558 0.434,559 34418,560 66925,561 2.177,562 51.2,563 12,564 16,567 2,568 7,569 4,570 2,572 1.801,573 2.103,574 3.808,575 0.04,582 112.491,583 1.339,584 3.224,585 4.296,586 5.026,587 5.336,588 5.383,589 3.065,590 4.675,591 5.34,592 4.132,593 3388.03,594 9.396,595 65132.9,600 536.955,601 1.128,602 5.316,603 0.109,604 0.006,605 0.067,606 0.04,607 0.039,608 0.015,609 0.01,610 0.007,611 0.009,612 0.009,613 0.311,614 0.17,615 0.63,616 0.474,617 238.238,618 0.01,619 -0.089,620 0.067,621 0.003,622 0.034,623 0.033,624 0.069,625 -0.101,626 0.015,627 -0.045,628 0.089,629 -0.024,630 -0.046,631 -0.007,632 0.081,633 0.07,634 -0.011,635 0.084,636 -0.09,637 0.052,638 -0.104,639 -0.027,640 -0.103,641 -0.061,642 -0.154,643 0.028,644 -0.167,645 -0.065,646 -0.144,647 -0.108,648 -0.039,649 -0.128,650 -0.174,651 -0.166,652 -0.075,653 -0.18,654 0.05,655 -0.078,656 -0.009,657 -0.05,658 0.005,659 -0.038,660 0.076,661 0.057,662 0.155,663 0.106,664 0.059,665 0.133,666 1.501,667 5.441,668 0.683,669 46.331,670 0.984,671 1.126,672 3.922,673 15.385,674 0.654,675 3.85,676 4.159,677 4.477,678 4.779,679 5.063,680 5.13,681 5.263,682 5.38,683 5.472,684 5.371,685 9.888,686 0.605,687 549.83,688 3.85,689 5.389,690 6.252,691 7.133,692 8.017,693 8.908,694 9.799,695 10.695,696 11.591,697 12.49,698 6,703 2,705 1,708 2,714 4,715 8,716 2,720 6,722 22,734 2,741 84,743 23,744 2,745 46,747 89,748 35,749 18,750 4,751 8,756 6,757 12,763 1,767 8,770 11,772 19,773 16,777 1,782 1,786 1,793 43,794 6,795 2,796 6,802 5,808 0.333,809 1,822 2,829 6,833 4,844 1,859 2,864 1,868 41,876 15,877 2,881 1,893 1.2,896 1,901 19.5,902 15.183,903 9.083,904 5.867,907 4.584,908 1.51,909 1.014,910 9.013,911 13.571,912 4.078,913 4.673,914 5.303,915 5.933,916 6.549,917 6.879,918 7.259,919 7.606,920 7.912,921 7.746,922 0.9,923 69,924 15.283,926 6.494,927 0.026,929 7.423,931 30.637,933 26.198,936 1.923,937 78.833,941 482.615,942 152.475,943 72.717,945 25.145,948 152.475,949 507.76,950 72.717,951 8.825,952 39.427,953 75.81,954 99.442,955 26.832,957 482.615,959 482.615,960 225.192,961 25.145,964 411.989,965 95.772,968 58.054,969 97.545,970 69.593,972 482.615,973 97.862,974 152.475,977 482.615,978 67.84,979 87.759,980 36.022,981 58.716,982 482.615,983 97.862,984 152.475,986 0.57,987 0.342,988 0.199,989 0.113,990 30,991 12,992 0.124,993 11,994 4,995 1.286,996 5.226,997 409.126,998 0.286,999 28,1000 215.66,1005 27.974,1006 13.209,1007 6.358,1008 4.615,1009 97.862,1010 16.97,1011 9.921,1015 7.887,1017 36.022,1018 732.952,1019 58,1024 12.441,1028 0.166,1031 82.625,1032 94.59,1034 0.209,1035 0.504,1036 0.672,1037 0.786,1038 0.835,1039 0.842,1040 5.316,1041 1.704,1042 6.213,1043 6.711,1044 4.844,1045 5.361,1046 2.12,1047 7.034,1048 4.8,1049 6.499,1050 1.615,1051 7.769,1052 3.652,1053 4.29,1054 5.198,1055 1.668,1056 7.974,1057 4.223,1058 7.805,1059 1.522,1060 9.435,1061 3.552,1062 6.428,1063 7.61,1064 2.973,1065 11.134,1066 6.336,1067 9.155,1068 1.509,1069 11.171,1070 3.329,1071 6.781,1072 8.36,1073 3.13,1074 12.959,1075 6.666,1076 10.546,1077 1.347,1078 12.953,1079 3.329,1080 8.327,1081 10.229,1082 4.132,1083 15.623,1084 8.192,1085 11.966,1086 1.347,1087 14.765,1088 3.291,1089 9.115,1090 11.394,1091 4.539,1092 17.795,1093 8.957,1094 13.409,1095 1.25,1096 16.598,1097 3.185,1098 10.419,1099 13.052,1100 5.382,1101 20.301,1102 10.244,1103 3.226,1104 1.247,1105 18.447,1106 2.902,1107 11.412,1108 14.409,1109 5.912,1110 22.618,1111 11.215,1112 3.226,1113 11.348,1114 20.307,1115 2.902,1116 12.621,1117 15.981,1118 6.67,1119 25.071,1120 12.406,1121 2.721,1122 11.348,1123 22.176,1124 4.564,1125 13.707,1126 17.426,1127 7.263,1128 27.45,1129 13.472,1130 2.532,1131 8.37,1132 24.052,1133 4.564,1134 14.883,1135 18.965,1136 7.976,1137 29.886,1138 14.629,1139 2.532,1140 8.37,1141 25.934,1142 3.437,1143 16.012,1144 20.449,1145 8.602,1146 32.292,1147 15.738,1148 2.18,1149 8.133,1150 27.822,1151 3.437,1152 17.177,1153 21.975,1154 9.292,1155 34.722,1156 16.885,1157 2.177,1158 6.711,1159 29.713,1160 3.031,1161 18.326,1162 23.477,1163 9.936,1164 37.14,1165 18.014,1166 31163,1167 43615,1168 31.898,1169 54.95,1170 67.965,1171 69.123,1172 69.595,1173 67.944,1174 67.968,1175 86.105,1176 6.592,1177 192.129,1178 66.54,1179 5.608,1180 5.666,1181 6.597,1182 5.247,1183 5.226,1184 7.564,1185 3.348,1186 18.879,1187 5.162,1188 12.566,1189 1.478,1190 1.503,1191 1.513,1192 1.477,1193 1.478,1194 1.872,1195 0.143,1196 4.177,1197 1.447,1198 4.137,1199 4.17,1200 4.094,1201 4.062,1202 7.428,1203 4.066,1204 4.088,1205 4.118,1206 4.052,1207 4.018,1208 4.99,1209 4.023,1210 3.804,1211 3.867,1212 3.693,1213 3.655,1214 4.954,1215 3.644,1216 3.732,1217 3.781,1218 3.617,1219 3.649,1220 4.415,1221 3.635,1222 3.732,1223 3.78,1224 3.616,1225 3.618,1226 4.411,1227 3.619,1228 3.608,1229 3.684,1230 3.448,1231 3.444,1232 4.289,1233 3.434,1234 3.484,1235 3.551,1236 3.351,1237 3.277,1238 4.23,1239 3.286,1240 3.3,1241 3.368,1242 3.159,1243 3.158,1244 4.08,1245 3.15,1246 0.101,1247 0.08,1248 0.148,1249 0.091,1250 0.07,1251 4.64,1252 0.099,1253 3.666,1254 0.042,1255 6.829,1256 0.247,1257 4.207,1258 0.069,1259 3.226,1260 4.564,1261 1.94,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.436,1269 2.164,1270 2.072,1271 2.046,1272 2.158,1273 2.162,1274 1.435,1275 2.163,1276 1.759,1277 1.71,1278 1.986,1279 1.966,1280 1.317,1281 1.974,1282 1.754,1283 1.709,1284 1.95,1285 1.873,1286 1.206,1287 1.902,1288 1.753,1289 1.693,1290 1.948,1291 1.872,1292 1.145,1293 1.902,1294 1.609,1295 1.538,1296 1.87,1297 1.809,1298 1.129,1299 1.834,1300 1.439,1301 1.375,1302 1.702,1303 1.685,1304 0.85,1305 1.691,1306 1.294,1307 1.234,1308 1.557,1309 1.503,1310 0.758,1311 1.527,1312 4.533,1314 5.844,1316 7.37,1318 9.005,1320 10.702,1322 1.702,1328 15.591,1329 7.521,1333 2.019,1340 50.831,1341 112.491,1342 270.838,1343 360.897,1344 422.2,1345 448.2,1346 452.2,1347 66.296,1348 8.988,1349 70.15,1350 70.15,1351 36,1352 13.013,1353 4.585,1354 3.7,1355 59.837,1356 250,1357 172,1358 0.111,1359 307.908,1360 531.05,1361 743.056,1362 155288,1364 28.02,1365 0.683,1366 0.597,1367 28.02,1368 24.475,1369 20.187,1370 0.439,1371 0.342,1372 15.618,1373 19.747,1374 15.276,1375 12.625,1376 20.187,1377 15.731,1378 17.559,1379 0.279,1380 0.186,1381 17.559,1382 11.693,1383 15.2,1384 0.175,1385 0.102,1386 15.2,1387 8.847,1388 13.201,1389 0.112,1390 0.057,1391 13.201,1392 6.7,1393 11.412,1394 0.073,1395 0.033,1396 11.412,1397 5.11,1398 0.182,1399 123.997,1400 0.177,1401 37.396,1402 0.283,1403 218,1404 479.337,1405 230.178,1406 475.834,1407 677.46,1408 452,1409 259,1410 517.467,1411 271.818,1412 525.91,1413 777.98,1414 502,1415 9.652}
{0 CHEMBL451304,1 1.346,2 18.044,3 7.509,4 56.391,5 184.787,6 6.505,7 0.431,8 4.606,9 4.745,10 4.07,11 4.165,12 5.509,13 4.111,14 5.215,15 5.415,16 4.427,17 4.607,18 6.053,19 4.516,20 5.546,21 5.807,22 4.525,23 4.764,24 6.333,25 4.643,26 5.548,27 5.801,28 4.497,29 4.747,30 6.374,31 4.627,32 5.571,33 5.824,34 4.41,35 4.765,36 6.37,37 4.625,38 5.615,39 5.886,40 4.31,41 4.783,42 6.334,43 4.601,44 5.629,45 5.926,46 4.218,47 4.73,48 6.268,49 4.527,50 5.534,51 5.831,52 4.21,53 4.645,54 6.194,55 4.461,56 0.105,57 1.386,58 22.157,59 8.971,60 11.397,61 12.966,62 0.307,63 2.36,64 41.62,65 15.612,66 28.543,67 23.172,68 0.56,69 3.012,70 59.044,71 20.687,72 48.948,73 31.215,74 0.571,75 3.02,76 59.486,77 19.982,78 54.646,79 30.266,80 0.598,81 3.039,82 60.914,83 20.581,84 60.559,85 31.002,86 0.586,87 3.074,88 62.962,89 23.591,90 57.095,91 34.805,92 0.474,93 2.984,94 63.704,95 24.209,96 49.265,97 35.825,98 0.466,99 2.727,100 58.072,101 21.684,102 46.849,103 32.273,104 2,105 70,106 0.198,107 0.471,108 0.637,109 0.776,110 0.82,111 0.833,112 3.831,113 1.033,114 -4.92,115 -4.83,116 -4.53,121 40.9,123 13,127 5,129 1,144 8,145 4,146 2,148 4,160 1,176 19,180 10,183 1,185 6,187 19,191 1,192 9,195 2,197 7,200 12,206 6,209 2,211 11,214 14,219 4,224 6,227 21,232 5,235 1,236 2,239 22,243 1,244 6,251 18,256 5,259 1,261 5,264 11,269 4,272 1,274 6,277 10,281 4734,282 31.656,283 31.656,284 31.656,285 31.656,286 31.656,287 28.951,288 33.923,289 19.215,290 32.026,291 25.277,292 25.277,293 25.277,294 25.277,295 25.277,296 20.961,297 36.679,298 9.137,299 25.879,300 5.194,301 3.338,302 2.213,303 1.264,304 0.968,305 0.882,306 4.559,312 1,313 1842,314 4.359,317 128.297,318 684.608,322 781.076,325 2.882,326 29.767,329 0.75,330 0.5,331 0.67,332 0.9,333 0.5,334 0.67,335 0.5,336 0.64,337 94,338 812,339 4.64,340 3.775,341 6.829,342 4.207,343 3.227,344 4.564,345 1.959,346 11.348,347 3.162,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 4.564,354 0.815,355 11.348,356 3.162,357 4.093,358 3.361,359 6.454,360 3.962,361 2.999,362 3.437,363 0.4,364 9.948,365 2.888,366 3.914,367 2.862,368 5.982,369 3.524,370 2.532,371 3.437,372 0.4,373 8.37,374 2.512,375 3.914,376 2.669,377 5.982,378 3.524,379 2.532,380 3.214,381 0.163,382 8.37,383 2.512,384 3.523,385 2.668,386 5.382,387 3.152,388 2.195,389 2.893,391 6.713,392 2.094,393 3.522,394 2.356,395 5.381,396 3.135,397 2.181,398 2.892,400 6.711,401 2.078,402 3.298,403 2.346,404 5.073,405 3.069,406 2.105,407 2.338,409 5.829,410 2.02,411 2.94,412 1.906,413 4.116,414 2.774,415 1.784,416 2.142,418 3.763,419 1.763,420 2.938,421 1.751,422 4.116,423 2.525,424 1.545,425 2.142,427 3.497,428 1.514,429 2.823,430 1.686,431 4.027,432 2.515,433 1.527,434 1.832,436 3.329,437 1.507,438 2.632,439 1.549,440 3.965,441 2.44,442 1.463,443 1.668,445 3.329,446 1.425,447 2.602,448 1.504,449 3.893,450 2.345,451 1.347,452 1.631,454 3.326,455 1.343,456 2.502,457 1.444,458 3.733,459 2.345,460 1.347,461 1.502,463 3.186,464 1.343,465 2.49,466 1.43,467 3.597,468 2.293,469 1.319,470 1.489,472 2.902,473 1.281,474 21.733,475 0.483,476 0.757,477 0.017,478 51.5,479 1.144,480 22.5,481 0.5,482 29,483 0.644,484 52.431,485 1.165,486 49.067,487 0.528,488 38.042,489 0.845,490 8.864,491 0.197,492 13.395,493 0.298,494 0.015,496 0.294,501 0.856,502 1.32,503 0.923,504 1.112,505 0.592,506 1.034,507 0.911,508 1.257,509 1.015,510 1.118,511 0.61,512 1.077,513 1.024,514 1.011,515 0.917,516 0.92,517 0.912,518 0.908,519 1.404,520 1.082,521 1.064,522 0.999,523 1.392,524 0.999,525 1.668,526 1.021,527 1.224,528 1.014,529 1.696,530 1.07,531 0.988,532 1.003,533 1.146,534 1.105,535 1.027,536 1.135,537 0.783,538 0.959,539 0.974,540 1.018,541 0.829,542 1.016,543 0.779,544 0.933,545 0.899,546 0.947,547 0.781,548 0.937,549 5,550 0.182,551 4.667,552 3,553 2.615,554 0.868,555 0.601,556 0.43,557 0.348,558 0.271,559 47966,560 90325,561 2.214,562 51.6,563 14,564 19,567 3,568 4,569 8,572 1.82,573 2.16,574 4.008,575 0.616,582 125.133,583 1.346,584 3.202,585 4.326,586 5.276,587 5.571,588 5.657,589 3.298,590 4.914,591 5.472,592 4.344,593 4300.66,594 9.647,595 90988.5,600 608.142,601 1.01,602 5.459,603 0.098,604 0.004,605 0.067,606 0.04,607 0.037,608 0.014,609 0.011,610 0.008,611 0.007,612 0.005,613 0.29,614 0.17,615 0.63,616 0.244,617 271.107,618 -0.001,619 -0.08,620 0.07,621 0.014,622 0.044,623 0.042,624 0.035,625 -0.113,626 -0.018,627 -0.067,628 0.066,629 -0.05,630 0.077,631 0.026,632 0.088,633 0.06,634 0.047,635 0.072,636 -0.065,637 -0.025,638 -0.04,639 -0.032,640 -0.071,641 -0.033,642 -0.267,643 0.03,644 -0.198,645 -0.046,646 -0.228,647 -0.105,648 -0.036,649 -0.015,650 -0.163,651 -0.108,652 -0.079,653 -0.141,654 0.015,655 -0.036,656 -0.006,657 -0.029,658 -0.025,659 -0.022,660 0.074,661 -0.004,662 0.075,663 0.036,664 0.063,665 0.053,666 1.466,667 6.19,668 0.733,669 61.52,670 0.984,671 1.128,672 3.694,673 13.649,674 0.65,675 3.951,676 4.263,677 4.595,678 4.905,679 5.153,680 5.226,681 5.361,682 5.489,683 5.583,684 5.513,685 11.264,686 0.601,687 604.92,688 3.951,689 5.493,690 6.361,691 7.245,692 8.131,693 9.023,694 9.916,695 10.813,696 11.709,697 12.608,698 6.5,701 1,703 2,705 1,708 2,714 4,715 8,716 2,720 6,722 22,734 2,741 93,743 23,744 2,745 51,747 99,748 38,749 18,750 4,751 8,756 7,757 13,767 11,770 14,772 19,773 19,777 1,782 1,786 1,793 48,794 7,795 3,796 7,802 6,808 0.429,809 1,822 2,825 1,828 1,829 6,833 4,843 1,855 1,859 3,868 45,876 18,877 3,880 1,881 1,893 1.1,896 1,901 20.833,902 16.267,903 9.944,904 6.571,907 4.63,908 1.481,909 1.019,910 9.796,911 14.258,912 4.159,913 4.736,914 5.361,915 5.98,916 6.573,917 6.899,918 7.277,919 7.627,920 7.932,921 7.783,922 1,923 75,924 16.82,926 7.241,927 0.026,929 7.393,931 33.878,933 29.433,936 1.893,937 85.167,941 529.7,942 150.824,943 90.728,945 25.145,948 150.824,949 554.845,950 90.728,952 61.488,953 75.81,954 99.442,955 29.957,957 529.7,959 529.7,960 241.552,961 25.145,964 435.531,965 119.314,968 74.414,969 97.545,970 69.593,972 529.7,973 115.873,974 150.824,977 529.7,978 75.014,979 78.934,980 54.032,981 58.716,982 529.7,983 115.873,984 150.824,986 0.57,987 0.345,988 0.204,989 0.112,990 34,991 13,992 0.121,993 12,994 4,995 1.242,996 5.654,997 464.587,998 0.242,999 33,1000 245.133,1005 30.446,1006 14.478,1007 6.832,1008 4.65,1009 115.873,1010 17.036,1011 9.947,1015 7.947,1017 54.032,1018 796.397,1019 63,1024 13.19,1028 0.201,1031 91.494,1032 104.918,1034 0.206,1035 0.49,1036 0.662,1037 0.807,1038 0.852,1039 0.865,1040 5.405,1041 2.105,1042 6.319,1043 6.711,1044 4.949,1045 5.425,1046 2.218,1047 7.144,1048 4.902,1049 6.575,1050 1.784,1051 7.875,1052 5.829,1053 4.369,1054 5.231,1055 1.668,1056 8.084,1057 4.299,1058 7.877,1059 1.545,1060 9.542,1061 3.763,1062 6.535,1063 7.646,1064 3.062,1065 11.252,1066 6.44,1067 9.222,1068 1.527,1069 11.28,1070 3.497,1071 6.889,1072 8.385,1073 3.135,1074 13.083,1075 6.77,1076 10.61,1077 1.463,1078 13.064,1079 3.329,1080 8.44,1081 10.249,1082 4.223,1083 15.746,1084 8.3,1085 12.028,1086 1.347,1087 14.878,1088 3.329,1089 9.234,1090 11.409,1091 4.573,1092 17.918,1093 9.07,1094 13.467,1095 1.347,1096 16.714,1097 3.326,1098 10.539,1099 13.063,1100 5.481,1101 20.418,1102 10.355,1103 3.227,1104 1.319,1105 18.566,1106 3.186,1107 11.535,1108 14.418,1109 5.975,1110 22.729,1111 11.329,1112 3.226,1113 11.348,1114 20.428,1115 2.902,1116 12.744,1117 15.988,1118 6.781,1119 25.174,1120 12.517,1121 2.999,1122 11.348,1123 22.299,1124 4.564,1125 13.832,1126 17.431,1127 7.353,1128 27.545,1129 13.582,1130 2.532,1131 9.948,1132 24.177,1133 4.564,1134 15.005,1135 18.968,1136 8.101,1137 29.972,1138 14.735,1139 2.532,1140 8.37,1141 26.06,1142 3.437,1143 16.133,1144 20.452,1145 8.717,1146 32.37,1147 15.841,1148 2.195,1149 8.37,1150 27.947,1151 3.437,1152 17.296,1153 21.977,1154 9.432,1155 34.793,1156 16.983,1157 2.181,1158 6.713,1159 29.838,1160 3.214,1161 18.441,1162 23.479,1163 10.073,1164 37.203,1165 18.108,1166 42837,1167 58962,1168 35.77,1169 60.478,1170 75.405,1171 76.872,1172 77.035,1173 75.415,1174 75.431,1175 93.508,1176 7.474,1177 213.786,1178 73.705,1179 5.627,1180 5.775,1181 6.69,1182 5.258,1183 5.227,1184 7.564,1185 3.43,1186 18.879,1187 5.162,1188 9.285,1189 1.479,1190 1.507,1191 1.51,1192 1.479,1193 1.479,1194 1.833,1195 0.147,1196 4.192,1197 1.445,1198 4.14,1199 4.173,1200 4.096,1201 4.063,1202 7.428,1203 4.067,1204 4.089,1205 4.118,1206 4.052,1207 4.019,1208 4.99,1209 4.023,1210 3.907,1211 3.965,1212 3.81,1213 3.74,1214 4.954,1215 3.748,1216 3.735,1217 3.796,1218 3.619,1219 3.651,1220 4.419,1221 3.637,1222 3.732,1223 3.781,1224 3.617,1225 3.649,1226 4.412,1227 3.635,1228 3.722,1229 3.78,1230 3.563,1231 3.579,1232 4.355,1233 3.564,1234 3.506,1235 3.585,1236 3.373,1237 3.306,1238 4.264,1239 3.307,1240 3.452,1241 3.536,1242 3.297,1243 3.26,1244 4.166,1245 3.258,1246 0.091,1247 0.074,1248 0.134,1249 0.082,1250 0.063,1251 4.64,1252 0.089,1253 3.775,1254 0.038,1255 6.829,1256 0.223,1257 4.207,1258 0.062,1259 3.227,1260 4.564,1261 1.959,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.436,1269 2.163,1270 2.072,1271 2.046,1272 2.158,1273 2.163,1274 1.434,1275 2.163,1276 1.755,1277 1.709,1278 1.993,1279 1.949,1280 1.334,1281 1.961,1282 1.754,1283 1.709,1284 1.949,1285 1.874,1286 1.218,1287 1.903,1288 1.751,1289 1.689,1290 1.948,1291 1.872,1292 1.186,1293 1.902,1294 1.65,1295 1.589,1296 1.86,1297 1.863,1298 1.147,1299 1.87,1300 1.594,1301 1.523,1302 1.854,1303 1.785,1304 1.126,1305 1.811,1306 1.432,1307 1.355,1308 1.702,1309 1.668,1310 0.959,1311 1.687,1312 4.635,1314 5.948,1315 2.398,1316 7.473,1317 4.595,1318 9.105,1319 6.581,1320 10.798,1328 18.996,1329 10.833,1332 -0.011,1333 2.377,1340 55.906,1341 125.133,1342 297.743,1343 402.354,1344 490.632,1345 518.142,1346 526.142,1347 74.165,1348 9.628,1349 82.18,1350 82.18,1351 41,1352 13.131,1353 4.585,1354 3.7,1355 62.856,1356 314,1357 220,1358 0.093,1359 336.086,1360 581.59,1361 811.811,1362 363074,1364 30.426,1365 0.676,1366 0.593,1367 30.426,1368 26.674,1369 22.259,1370 0.436,1371 0.344,1372 17.432,1373 21.766,1374 17.133,1375 14.11,1376 22.259,1377 17.566,1378 19.241,1379 0.275,1380 0.188,1381 19.241,1382 13.172,1383 17.04,1384 0.174,1385 0.104,1386 17.04,1387 10.16,1388 15.019,1389 0.112,1390 0.058,1391 15.019,1392 7.834,1393 12.523,1394 0.073,1395 0.033,1396 12.523,1397 5.676,1398 0.154,1399 136.886,1400 0.167,1401 40.644,1402 0.232,1403 242,1404 517.669,1405 255.899,1406 512.794,1407 732.14,1408 488,1409 289,1410 559.805,1411 304.426,1412 567.732,1413 844.63,1414 543,1415 8.171}
{0 CHEMBL452339,1 1.373,2 20.75,3 7.682,4 59.007,5 196.275,6 6.317,7 0.353,8 4.688,9 4.823,10 4.106,11 4.183,12 5.649,13 4.129,14 5.276,15 5.49,16 4.4,17 4.561,18 6.143,19 4.475,20 5.543,21 5.788,22 4.549,23 4.752,24 6.426,25 4.641,26 5.672,27 5.92,28 4.538,29 4.837,30 6.507,31 4.702,32 5.766,33 6.032,34 4.514,35 4.886,36 6.594,37 4.73,38 5.792,39 6.065,40 4.43,41 4.869,42 6.596,43 4.698,44 5.745,45 6.021,46 4.298,47 4.822,48 6.499,49 4.627,50 5.702,51 6,52 4.204,53 4.736,54 6.403,55 4.525,56 0.089,57 1.441,58 25.08,59 10.081,60 14.639,61 14.404,62 0.502,63 2.313,64 45.933,65 15.663,66 38.356,67 23.449,68 0.683,69 2.86,70 59.503,71 20.925,72 74.419,73 31.11,74 0.702,75 3.137,76 67.637,77 23.912,78 65.418,79 35.173,80 0.667,81 3.355,82 73.893,83 26.206,84 83.463,85 38.682,86 0.802,87 3.327,88 76.054,89 26.542,90 93.146,91 39.005,92 0.769,93 3.16,94 72.088,95 26.34,96 80.869,97 38.243,98 0.575,99 2.979,100 68.34,101 25.01,102 70.132,103 37.047,104 53,105 66,106 0.199,107 0.432,108 0.618,109 0.716,110 0.746,111 0.757,112 3.894,113 1.054,114 -5.85,115 -5.71,116 -5.32,121 38.5,122 2,123 8,126 2,127 8,144 12,145 2,146 4,160 2,176 17,179 2,180 14,187 14,191 4,192 14,200 7,205 2,206 16,214 8,219 16,227 14,232 12,239 22,243 2,244 8,251 23,256 6,264 16,268 2,269 8,277 11,281 6576,282 33.242,283 33.242,284 33.242,285 33.242,286 33.242,287 30.839,288 42.728,289 20.279,290 34.032,291 24.925,292 24.925,293 24.925,294 24.925,295 24.925,296 21.188,297 53.994,298 9.277,299 25.909,300 5.328,301 3.728,302 2.448,303 1.774,304 1.567,305 1.491,306 4.588,313 2088,314 5.385,318 703.344,322 264.822,325 4.104,326 36.767,329 0.5,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.68,337 102,338 996,339 4.547,340 4.012,341 6.982,342 4.27,343 3.308,344 4.031,345 1.2,346 11.803,347 3.179,348 4.206,349 3.188,350 6.159,351 3.84,352 2.875,353 3.805,354 1.2,355 9.118,356 2.773,357 4.206,358 3.188,359 6.159,360 3.84,361 2.875,362 3.805,363 0.916,364 9.118,365 2.773,366 3.85,367 3.154,368 6.029,369 3.443,370 2.468,371 3.253,372 0.916,373 8.404,374 2.455,375 3.58,376 3.006,377 5.93,378 3.4,379 2.426,380 2.679,381 0.86,382 7.921,383 2.295,384 3.43,385 2.729,386 5.284,387 3.304,388 2.38,389 2.467,390 0.86,391 6.713,392 2.197,393 3.43,394 2.729,395 5.284,396 3.302,397 2.379,398 2.467,399 0.293,400 6.713,401 2.195,402 2.954,403 2.237,404 4.316,405 2.788,406 1.794,407 2.113,408 0.293,409 4.047,410 1.78,411 2.917,412 1.965,413 4.316,414 2.724,415 1.733,416 2.088,417 0.172,418 4.042,419 1.715,420 2.917,421 1.959,422 4.241,423 2.509,424 1.549,425 2.088,426 0.172,427 3.827,428 1.493,429 2.854,430 1.89,431 4.062,432 2.486,433 1.538,434 1.958,436 3.538,437 1.449,438 2.854,439 1.724,440 3.8,441 2.471,442 1.488,443 1.957,445 3.233,446 1.444,447 2.75,448 1.64,449 3.74,450 2.425,451 1.429,452 1.768,454 3.031,455 1.422,456 2.73,457 1.508,458 3.62,459 2.421,460 1.425,461 1.753,463 3.02,464 1.418,465 2.605,466 1.506,467 3.62,468 2.21,469 1.224,470 1.585,472 2.943,473 1.205,474 22.933,475 0.478,476 0.76,477 0.016,478 53,479 1.104,480 23,481 0.479,482 30,483 0.625,484 57.302,485 1.194,486 55.067,487 0.529,488 45.006,489 0.938,490 10.104,491 0.211,492 13.394,493 0.279,494 0.116,496 0.244,501 0.779,502 1.556,503 0.956,504 1.323,505 0.57,506 1.181,507 1.122,508 1.147,509 1.04,510 1.015,511 0.646,512 1.006,513 0.807,514 1.059,515 0.914,516 1.002,517 0.596,518 0.966,519 1.076,520 1.099,521 1.056,522 1.07,523 1.032,524 1.061,525 1.046,526 1.054,527 1.049,528 1.054,529 1.286,530 1.049,531 1.232,532 0.961,533 1.106,534 0.999,535 1.365,536 1.032,537 1.08,538 0.969,539 1.129,540 1.054,541 1.206,542 1.096,543 0.785,544 1.037,545 0.968,546 1.04,547 1.012,548 1.032,549 6.5,550 0.289,551 4.667,552 3.125,553 2.853,554 1.389,555 0.931,556 0.472,557 0.32,558 0.294,559 51509,560 109946,561 2.03,562 53.8,563 8,564 34,569 14,572 1.838,573 1.92,574 4.242,575 -0.829,582 142.757,583 1.373,584 2.972,585 4.253,586 4.926,587 5.133,588 5.21,589 3.689,590 4.585,591 5.552,592 4.553,593 5136.07,594 9.835,595 116368,600 696.846,601 1.299,602 5.525,603 0.127,604 0.005,605 0.071,606 0.042,607 0.04,608 0.02,609 0.015,610 0.009,611 0.007,612 0.006,613 0.342,614 0.17,615 0.63,616 0.79,617 296.532,618 0.034,619 -0.262,620 0.065,621 -0.118,622 0.024,623 -0.04,624 -0.019,625 0.018,626 -0.002,627 0.024,628 0.032,629 0.015,630 0.143,631 0.023,632 0.091,633 0.016,634 0.222,635 0.045,636 -0.02,637 -0.055,638 -0.048,639 -0.057,640 -0.013,641 -0.057,642 -0.069,643 -0.045,644 -0.057,645 -0.058,646 -0.052,647 -0.054,648 -0.13,649 0.017,650 -0.105,651 -0.022,652 -0.11,653 -0.054,654 -0.097,655 -0.005,656 -0.147,657 -0.064,658 -0.13,659 -0.107,660 -0.01,661 -0.109,662 -0.015,663 -0.062,664 -0.066,665 -0.045,666 2.072,667 6.315,668 0.458,669 94.75,670 0.987,671 1.131,672 4.625,673 21.39,674 0.631,675 3.951,676 4.205,677 4.477,678 4.691,679 4.89,680 4.89,681 4.898,682 4.89,683 4.913,684 4.905,685 12.438,686 0.583,687 657,688 3.951,689 5.46,690 6.293,691 7.144,692 7.999,693 8.862,694 9.726,695 10.595,696 11.466,697 12.34,698 3.8,701 2,705 2,715 12,720 6,722 18,739 2,741 104,743 20,744 3,745 51,747 107,748 40,749 18,750 6,751 12,752 2,756 4,757 5,763 2,770 8,772 20,773 20,777 2,782 2,786 2,793 56,794 8,796 8,802 4,808 0.75,809 4,829 4,833 1,844 2,855 2,859 3,864 4,868 48,876 16,878 2,881 4,893 3.8,896 2,898 2,901 25,902 19.467,903 11.306,904 7,907 2.757,908 1.327,909 0.941,910 15.922,911 11.177,912 4.143,913 4.6,914 5.101,915 5.548,916 6,917 5.999,918 6.155,919 6.268,920 6.323,921 6.267,922 0.929,923 75,924 17.905,926 7.279,927 0.026,929 7.549,931 35.228,933 28.252,936 2.049,937 98.333,941 659.182,942 222.034,943 12.497,945 72.29,948 222.034,949 731.471,950 12.497,951 39.417,952 43.371,953 113.715,954 59.699,955 50.62,957 659.182,959 659.182,960 234.531,961 72.29,964 494.386,965 237.085,968 67.27,969 167.262,972 659.182,973 84.787,974 222.034,977 659.182,978 68.903,979 165.629,981 72.29,982 659.182,983 84.787,984 222.034,986 0.554,987 0.339,988 0.187,989 0.102,990 24,991 12,992 0.206,993 22,994 1,995 1.091,996 5.754,997 460.081,998 0.091,999 22,1000 220.078,1005 37.595,1006 20.328,1007 10.893,1009 84.787,1010 24.286,1015 5.999,1018 966.003,1019 62,1024 26.629,1028 -0.81,1031 102.69,1032 117.626,1034 0.205,1035 0.444,1036 0.635,1037 0.735,1038 0.766,1039 0.778,1040 5.359,1041 1.794,1042 6.236,1043 6.713,1044 4.89,1045 5.288,1046 2.544,1047 7.015,1048 4.818,1049 6.493,1050 1.733,1051 7.774,1052 4.047,1053 4.29,1054 4.868,1055 0.931,1056 7.91,1057 4.157,1058 7.758,1059 1.549,1060 9.421,1061 4.042,1062 6.438,1063 7.312,1064 2.499,1065 11.039,1066 6.286,1067 9.062,1068 1.538,1069 11.139,1070 3.827,1071 6.758,1072 7.791,1073 1.337,1074 12.82,1075 6.543,1076 10.407,1077 1.488,1078 12.904,1079 3.538,1080 8.29,1081 9.671,1082 2.596,1083 15.472,1084 8.058,1085 11.78,1086 1.429,1087 14.7,1088 3.233,1089 9.049,1090 10.57,1091 1.682,1092 17.614,1093 8.76,1094 13.176,1095 1.425,1096 16.518,1097 3.031,1098 10.339,1099 12.209,1100 2.77,1101 20.123,1102 10.028,1103 3.308,1104 1.224,1105 18.354,1106 3.02,1107 11.311,1108 13.317,1109 2.043,1110 22.429,1111 10.95,1112 2.875,1113 11.803,1114 20.202,1115 2.943,1116 12.508,1117 14.836,1118 2.996,1119 24.897,1120 12.119,1121 2.875,1122 9.118,1123 22.062,1124 4.031,1125 13.582,1126 16.055,1127 2.423,1128 27.282,1129 13.147,1130 2.468,1131 9.118,1132 23.93,1133 3.805,1134 14.751,1135 17.509,1136 3.259,1137 29.741,1138 14.283,1139 2.426,1140 8.404,1141 25.806,1142 3.805,1143 15.875,1144 18.79,1145 2.815,1146 32.166,1147 15.364,1148 2.38,1149 7.921,1150 27.689,1151 3.253,1152 17.039,1153 20.208,1154 3.547,1155 34.626,1156 16.492,1157 2.379,1158 6.713,1159 29.579,1160 2.679,1161 18.189,1162 21.525,1163 3.21,1164 37.071,1165 17.6,1166 49666,1167 72785,1168 33.978,1169 65.637,1170 72.876,1171 75.121,1172 76.385,1173 72.54,1174 72.442,1175 87.478,1176 13.766,1177 196.43,1178 69.919,1179 5.535,1180 6.012,1181 6.806,1182 5.34,1183 5.308,1184 7.031,1185 2.293,1186 19.803,1187 5.179,1188 25.132,1189 1.429,1190 1.473,1191 1.498,1192 1.422,1193 1.42,1194 1.715,1195 0.27,1196 3.852,1197 1.371,1198 4.034,1199 4.073,1200 3.982,1201 3.919,1202 7.497,1203 3.926,1204 3.948,1205 3.98,1206 3.886,1207 3.857,1208 7.352,1209 3.86,1210 3.925,1211 3.956,1212 3.861,1213 3.845,1214 4.879,1215 3.844,1216 3.753,1217 3.818,1218 3.609,1219 3.626,1220 4.847,1221 3.612,1222 3.749,1223 3.807,1224 3.604,1225 3.618,1226 4.738,1227 3.604,1228 3.606,1229 3.676,1230 3.51,1231 3.434,1232 4.394,1233 3.44,1234 3.598,1235 3.669,1236 3.446,1237 3.416,1238 4.392,1239 3.412,1240 3.501,1241 3.543,1242 3.374,1243 3.307,1244 4.285,1245 3.321,1246 0.089,1247 0.079,1248 0.137,1249 0.084,1250 0.065,1251 4.547,1252 0.079,1253 4.012,1254 0.024,1255 6.982,1256 0.231,1257 4.27,1258 0.062,1259 3.308,1260 4.031,1261 1.2,1262 11.803,1263 3.179,1264 1.945,1265 1.913,1266 2.067,1267 2.087,1268 1.39,1269 2.077,1270 1.913,1271 1.887,1272 2.05,1273 2.031,1274 1.381,1275 2.038,1276 1.913,1277 1.886,1278 2.032,1279 2.029,1280 1.234,1281 2.033,1282 1.766,1283 1.703,1284 1.994,1285 1.927,1286 1.213,1287 1.953,1288 1.753,1289 1.693,1290 1.968,1291 1.907,1292 1.143,1293 1.931,1294 1.59,1295 1.522,1296 1.855,1297 1.801,1298 1.069,1299 1.823,1300 1.589,1301 1.512,1302 1.849,1303 1.786,1304 1.034,1305 1.811,1306 1.448,1307 1.398,1308 1.712,1309 1.661,1310 0.954,1311 1.67,1312 4.635,1314 5.905,1316 7.383,1318 8.967,1320 10.613,1322 7.838,1328 15.039,1330 11.057,1333 8.294,1340 60.642,1341 142.757,1342 309.082,1343 442.277,1344 512.316,1345 533.826,1346 541.826,1347 124.932,1348 8.42,1349 68.94,1350 68.94,1351 24,1352 12.881,1353 4.392,1354 3.585,1355 98.517,1356 356,1357 318,1358 0.128,1359 375.851,1360 668.54,1361 908.837,1362 75139,1364 34.141,1365 0.711,1366 0.618,1367 34.141,1368 29.664,1369 23.498,1370 0.461,1371 0.351,1372 17.685,1373 22.658,1374 17.172,1375 14.391,1376 23.498,1377 17.911,1378 19.087,1379 0.289,1380 0.191,1381 19.087,1382 12.592,1383 16.563,1384 0.19,1385 0.108,1386 16.563,1387 9.416,1388 13.196,1389 0.122,1390 0.061,1391 13.196,1392 6.579,1393 10.54,1394 0.08,1395 0.035,1396 10.54,1397 4.584,1398 0.213,1399 146.675,1400 0.172,1401 43.145,1402 0.32,1403 234,1404 609.523,1405 253.844,1406 580.862,1407 793.4,1408 548,1409 270,1410 572.631,1411 292.565,1412 581.616,1413 849.87,1414 545,1415 8.851}
{0 CHEMBL454594,1 1.322,2 10.407,3 4.697,4 22.065,5 111.833,6 7.15,7 0.414,8 3.966,9 4.079,10 3.499,11 3.598,12 5.089,13 3.549,14 4.47,15 4.639,16 3.837,17 3.965,18 5.538,19 3.899,20 4.709,21 4.877,22 3.921,23 4.12,24 5.827,25 4.028,26 4.878,27 5.108,28 3.796,29 4.082,30 5.938,31 3.963,32 4.698,33 4.911,34 3.861,35 4.023,36 5.791,37 3.933,38 4.751,39 4.953,40 3.904,41 4.031,42 6.007,43 3.956,44 4.706,45 4.904,46 3.823,47 4.023,48 5.871,49 3.932,50 4.698,51 4.902,52 3.709,53 3.983,54 5.844,55 3.867,56 0.027,57 0.617,58 9.979,59 4.777,60 7.216,61 6.312,62 0.147,63 1.03,64 17.968,65 7.718,66 13.56,67 10.452,68 0.104,69 1.268,70 22.989,71 10.138,72 31.721,73 13.459,74 0.394,75 1.453,76 30.425,77 11.619,78 69.182,79 15.33,80 0.117,81 1.237,82 23.935,83 10.159,84 30.843,85 13.759,86 0.348,87 1.295,88 25.953,89 9.977,90 76.45,91 13.084,92 0.205,93 1.242,94 24.299,95 9.829,96 48.683,97 12.922,98 0.189,99 1.207,100 24.209,101 10.125,102 49.663,103 13.33,104 28,105 40,106 0.221,107 0.536,108 0.669,109 0.705,110 0.705,111 0.705,112 3.34,113 0.927,114 -4.86,115 -4.77,116 -4.47,121 48,122 2,127 2,136 1,137 3,138 2,144 8,145 4,158 1,160 1,176 19,179 1,180 6,187 23,192 6,200 20,205 1,206 6,214 13,219 10,227 14,231 1,232 11,239 15,244 9,251 16,256 8,264 20,269 2,277 18,281 1143,282 17.972,283 17.972,284 17.972,285 17.972,286 17.972,287 15.793,288 15.96,289 10.505,290 18.017,291 14.216,292 14.216,293 14.216,294 14.216,295 14.216,296 10.783,297 16.641,298 4.962,299 14.258,300 4.322,301 2.442,302 1.645,303 1.43,304 1.43,305 1.43,306 4.019,311 1,312 1,313 591,314 3.162,318 279.895,325 1.608,326 23.773,328 1,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 56.5,338 281,339 4.405,340 3.741,341 6.487,342 4.095,343 3.096,344 3.87,345 1.259,346 10.106,347 3.097,348 4.068,349 3.525,350 5.929,351 3.646,352 2.646,353 3.676,354 0.577,355 8.179,356 2.646,357 3.981,358 2.725,359 5.565,360 3.627,361 2.639,362 3.499,363 0.359,364 7.58,365 2.599,366 3.857,367 2.688,368 5.384,369 3.509,370 2.503,371 3.1,373 7.015,374 2.507,375 3.617,376 2.456,377 5.107,378 3.204,379 2.205,380 2.95,382 6.154,383 2.203,384 3.379,385 2.425,386 4.881,387 3.032,388 2.027,389 2.656,391 5.645,392 2.035,393 3.124,394 2.19,395 4.776,396 2.74,397 1.744,398 2.269,400 5.204,401 1.737,402 2.765,403 1.991,404 4.201,405 2.417,406 1.414,407 1.706,409 3.58,410 1.403,411 2.5,412 1.495,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.5,421 1,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.336,430 1,431 3.412,432 1.654,433 0.608,434 0.942,436 1.522,437 0.631,438 2.044,439 0.758,440 2.974,441 1.238,442 0.201,443 0.334,445 0.458,446 0.206,447 1.423,448 0.406,449 2.669,450 1.175,451 0.184,452 0.217,454 0.287,455 0.182,456 1.252,457 0.297,458 2.517,459 0.933,460 -0.098,461 -0.13,463 -0.208,464 -0.101,465 0.96,466 -0.104,467 2.137,468 0.599,469 -0.379,470 -0.459,472 -0.976,473 -0.369,474 13.067,475 0.484,476 0.715,477 0.026,478 35.25,479 1.306,480 19.5,481 0.722,482 15.75,483 0.583,484 20.921,485 0.775,486 27.733,487 0.555,488 28.328,489 1.049,490 7.378,491 0.273,492 5.579,493 0.207,494 0.166,496 0.337,501 0.557,502 1.117,503 0.813,504 1.003,505 0.576,506 0.944,507 0.66,508 0.945,509 0.835,510 0.891,511 0.555,512 0.874,513 0.89,514 1.306,515 1.081,516 1.265,517 0.854,518 1.204,519 1.592,520 0.872,521 1.112,522 0.88,523 1.66,524 0.938,525 0.793,526 1.083,527 0.802,528 1.02,529 0.796,530 0.929,531 1.432,532 0.966,533 0.965,534 0.903,535 1.334,536 0.885,537 1.353,538 1.02,539 1.051,540 1.014,541 1.271,542 1,543 1.266,544 1.128,545 1.119,546 1.136,547 1.294,548 1.122,549 6.5,550 0.14,551 3.111,552 1.5,553 1.769,554 1.014,555 0.85,556 0.528,557 0.329,558 0.225,559 8171,560 19776,561 2.014,562 46,563 6,564 17,572 1.707,573 1.862,574 3.345,575 -0.879,582 66.112,583 1.322,584 3.202,585 3.999,586 4.214,587 4.214,588 4.214,589 2.858,590 3.718,591 4.722,592 3.482,593 1222.25,594 8.233,595 15708.5,597 1,600 282.193,601 1.487,602 4.672,603 0.224,604 0.009,605 0.078,606 0.037,607 0.051,608 0.026,609 0.021,610 0.014,611 0.01,612 0.009,613 0.479,614 0.67,615 1,616 0.979,617 133.064,618 0.011,619 -0.068,620 0.039,621 -0.008,622 -0.062,623 0.012,624 0.089,625 0.117,626 0.079,627 0.081,628 0.04,629 0.08,630 -0.009,631 -0.301,632 -0.159,633 -0.285,634 0.002,635 -0.245,636 -0.134,637 0.115,638 -0.083,639 0.082,640 -0.208,641 0.015,642 0.1,643 -0.102,644 0.162,645 -0.035,646 0.105,647 0.053,648 0.065,649 0.047,650 0.05,651 0.053,652 0.132,653 0.053,654 -0.101,655 -0.018,656 -0.067,657 -0.046,658 -0.02,659 -0.049,660 -0.089,661 -0.167,662 -0.139,663 -0.153,664 -0.04,665 -0.154,666 1.841,667 6.024,668 0.667,669 25.333,670 0.99,671 1.11,672 3.626,673 13.15,674 0.686,675 3.401,676 3.714,677 3.932,678 4.127,679 4.419,680 4.443,681 4.533,682 4.644,683 4.71,684 4.727,685 6.179,686 0.645,687 357.48,688 3.401,689 4.934,690 5.765,691 6.627,692 7.479,693 8.345,694 9.207,695 10.077,696 10.944,697 11.817,698 2,705 1,715 8,720 4,722 12,741 50,743 17,744 2,745 29,747 52,748 24,749 12,750 4,751 8,752 8,756 3,757 3,763 2,772 20,773 4,777 5,778 1,782 2,784 3,786 4,790 1,793 23,794 3,796 3,802 1,808 1,809 2,829 3,841 1,844 1,848 1,849 3,850 2,859 3,864 2,868 27,876 2,881 1,893 4,896 2,901 14.5,902 9.7,903 6,904 2.903,907 3.003,908 1.423,909 0.976,910 5.637,911 10.106,912 3.714,913 4.263,914 4.783,915 5.219,916 5.778,917 5.969,918 6.3,919 6.696,920 7,921 7.241,922 1,923 41,924 10.01,926 4.196,927 0.026,929 7.772,931 19.063,933 15.377,936 2.272,937 61.333,939 1,940 1,941 270.735,942 170.819,943 3.124,945 50.29,948 170.819,949 321.025,950 3.124,951 17.65,952 23.103,953 104.239,954 60.128,955 19.113,957 270.735,959 270.735,960 173.943,961 50.29,964 270.735,965 50.29,968 24.986,969 120.528,970 28.429,972 270.735,973 53.414,974 170.819,977 270.735,978 33.163,979 125.013,981 66.057,982 270.735,983 53.414,984 170.819,986 0.582,987 0.333,988 0.162,989 0.1,990 18,991 9,992 0.058,993 3,995 1,996 3.8,997 225.296,999 18,1000 100.382,1005 18.756,1006 8.115,1007 4.58,1009 53.414,1010 15.955,1015 4.226,1018 494.969,1019 40,1020 3.577,1024 25.225,1026 5.031,1028 1.036,1031 49.476,1032 55.484,1034 0.234,1035 0.567,1036 0.708,1037 0.747,1038 0.747,1039 0.747,1040 4.942,1041 1.414,1042 5.753,1043 5.204,1044 4.394,1045 4.949,1046 1.603,1047 6.524,1048 4.39,1049 6.15,1050 1,1051 7.295,1052 3.58,1053 4.007,1054 4.691,1055 0.325,1056 7.33,1057 4.008,1058 7.446,1059 1,1060 8.929,1061 2.275,1062 5.964,1063 7.066,1064 1.709,1065 10.379,1066 5.95,1067 8.772,1068 0.608,1069 10.615,1070 2.275,1071 6.33,1072 7.544,1073 0.82,1074 11.956,1075 6.327,1076 10.125,1077 0.201,1078 12.333,1079 1.522,1080 7.779,1081 9.408,1082 1.965,1083 14.542,1084 7.761,1085 11.495,1086 0.184,1087 14.074,1088 0.458,1089 8.5,1090 10.233,1091 1.329,1092 16.48,1093 8.493,1094 12.878,1095 -0.098,1096 15.832,1097 0.287,1098 9.742,1099 11.867,1100 2.285,1101 18.893,1102 9.723,1103 3.096,1104 -0.379,1105 17.604,1106 -0.208,1107 10.645,1108 12.885,1109 1.834,1110 21.014,1111 10.635,1112 2.646,1113 10.106,1114 19.388,1115 -0.976,1116 11.798,1117 14.396,1118 2.643,1119 23.359,1120 11.781,1121 2.639,1122 8.179,1123 21.182,1124 3.87,1125 12.798,1126 15.529,1127 2.335,1128 25.574,1129 12.787,1130 2.503,1131 7.58,1132 22.985,1133 3.676,1134 13.917,1135 16.969,1136 3.026,1137 27.893,1138 13.902,1139 2.205,1140 7.015,1141 24.795,1142 3.499,1143 14.969,1144 18.175,1145 2.832,1146 30.155,1147 14.958,1148 2.027,1149 6.154,1150 26.613,1151 3.1,1152 16.077,1153 19.572,1154 3.428,1155 32.465,1156 16.065,1157 1.744,1158 5.645,1159 28.436,1160 2.95,1161 17.158,1162 20.824,1163 3.324,1164 34.751,1165 17.15,1166 8068,1167 12662,1168 18.898,1169 34.29,1170 44.137,1171 44.982,1172 44.883,1173 42.582,1174 42.537,1175 56.438,1176 4.39,1177 120.559,1178 42.495,1179 5.405,1180 5.741,1181 6.031,1182 5.132,1183 5.096,1184 6.87,1185 2.373,1186 17.118,1187 5.097,1188 15.061,1189 1.522,1190 1.551,1191 1.548,1192 1.468,1193 1.467,1194 1.946,1195 0.151,1196 4.157,1197 1.465,1198 4.024,1199 4.05,1200 3.968,1201 3.957,1202 7.431,1203 3.955,1204 3.915,1205 3.943,1206 3.85,1207 3.869,1208 7.425,1209 3.861,1210 3.799,1211 3.836,1212 3.732,1213 3.684,1214 4.786,1215 3.691,1216 3.554,1217 3.581,1218 3.484,1219 3.417,1220 4.743,1221 3.425,1222 3.353,1223 3.405,1224 3.24,1225 3.272,1226 4.651,1227 3.259,1228 3.178,1229 3.259,1230 3.004,1231 3.031,1232 4.314,1233 3.014,1234 3.03,1235 3.104,1236 2.902,1237 2.863,1238 4.073,1239 2.836,1240 3.015,1241 3.086,1242 2.8,1243 2.781,1244 3.86,1245 2.803,1246 0.152,1247 0.129,1248 0.224,1249 0.141,1250 0.107,1251 4.405,1252 0.133,1253 3.741,1254 0.043,1255 6.487,1256 0.348,1257 4.095,1258 0.107,1259 3.096,1260 3.87,1261 1.259,1262 10.106,1263 3.097,1264 1.981,1265 1.958,1266 2.087,1267 2.07,1268 1.248,1269 2.075,1270 1.929,1271 1.904,1272 2.049,1273 1.999,1274 1.156,1275 2.018,1276 1.768,1277 1.735,1278 1.906,1279 1.914,1280 1.076,1281 1.915,1282 1.517,1283 1.483,1284 1.71,1285 1.677,1286 0.77,1287 1.684,1288 1.376,1289 1.33,1290 1.612,1291 1.512,1292 0.646,1293 1.549,1294 1.2,1295 1.124,1296 1.522,1297 1.407,1298 0.553,1299 1.451,1300 1.055,1301 0.972,1302 1.393,1303 1.265,1304 0.501,1305 1.314,1306 0.958,1307 0.895,1308 1.213,1309 1.235,1310 0.291,1311 1.226,1312 4.078,1314 5.389,1316 6.891,1318 8.475,1320 10.104,1322 4.047,1328 0.589,1333 1.647,1340 32.246,1341 66.112,1342 160.113,1343 199.928,1344 210.683,1345 210.683,1346 210.683,1347 55.568,1348 7.102,1349 37.38,1350 37.38,1351 18,1352 12.359,1353 4.17,1354 3.585,1355 46.654,1356 99,1357 106,1358 0.231,1359 201.392,1360 364.42,1361 483.156,1362 10491,1364 19.389,1365 0.718,1366 0.583,1367 19.389,1368 15.736,1369 12.957,1370 0.447,1371 0.309,1372 8.909,1373 12.731,1374 8.543,1375 7.187,1376 12.957,1377 8.966,1378 11.719,1379 0.293,1380 0.172,1381 11.719,1382 6.888,1383 9.69,1384 0.194,1385 0.093,1386 9.69,1387 4.629,1388 7.094,1389 0.116,1390 0.05,1391 7.094,1392 3.052,1393 6.313,1394 0.077,1395 0.027,1396 6.313,1397 2.245,1398 0.357,1399 79.47,1400 0.23,1401 25.771,1402 0.653,1403 138,1404 365.116,1405 144.733,1406 363.771,1407 491.49,1408 338,1409 159,1410 352.09,1411 166.316,1412 366.662,1413 527.62,1414 342,1415 4.743}
{0 CHEMBL455790,1 1.276,2 19.61,3 9.551,4 91.214,5 167.937,6 6.822,7 0.622,8 4.441,9 4.554,10 3.94,11 4.043,12 5.461,13 3.991,14 4.985,15 5.158,16 4.257,17 4.423,18 5.931,19 4.348,20 5.245,21 5.457,22 4.317,23 4.55,24 6.161,25 4.443,26 5.336,27 5.577,28 4.287,29 4.534,30 6.258,31 4.417,32 5.268,33 5.499,34 4.276,35 4.533,36 6.189,37 4.419,38 5.292,39 5.517,40 4.273,41 4.567,42 6.232,43 4.442,44 5.304,45 5.545,46 4.149,47 4.532,48 6.168,49 4.383,50 5.23,51 5.49,52 4.019,53 4.422,54 6.033,55 4.255,56 0.063,57 1.002,58 17.483,59 8.09,60 11.437,61 10.742,62 0.208,63 1.697,64 31.846,65 13.359,66 24.357,67 17.996,68 0.288,69 2.122,70 42.55,71 17.668,72 42.896,73 23.889,74 0.527,75 2.276,76 48.127,77 18.795,78 66.661,79 25.531,80 0.354,81 2.155,82 44.226,83 17.905,84 53.511,85 24.336,86 0.449,87 2.202,88 45.126,89 18.607,90 61.489,91 25.287,92 0.361,93 2.218,94 45.942,95 18.97,96 57.49,97 25.908,98 0.442,99 2.059,100 42.903,101 17.774,102 51.991,103 24.765,104 10,105 60,106 0.193,107 0.472,108 0.666,109 0.809,110 0.86,111 0.86,112 3.741,113 0.978,114 -7.38,115 -7.16,116 -6.62,121 46.3,122 1,123 5,126 1,127 3,144 17,145 6,146 1,154 2,159 1,176 26,180 11,187 28,192 13,200 22,205 1,206 13,214 18,219 10,227 26,231 1,232 9,239 35,244 2,251 32,255 2,256 5,264 24,269 5,277 17,281 3999,282 28.242,283 28.242,284 28.242,285 28.242,286 28.242,287 24.868,288 17.754,289 17.303,290 28.462,291 22.276,292 22.276,293 22.276,294 22.276,295 22.276,296 17.254,297 19.162,298 8.337,299 22.606,300 5.045,301 3.193,302 1.907,303 0.958,304 0.619,305 0.619,306 4.448,313 1756,314 4.416,317 108.027,318 584.795,321 207.309,325 2.896,326 26.164,329 0.5,330 0.5,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.51,337 85.5,338 804,339 4.736,340 3.658,341 7.044,342 4.338,343 3.331,344 4.656,345 0.916,346 12.102,347 3.353,348 4.142,349 3.053,350 6.068,351 3.755,352 2.746,353 3.753,354 0.86,355 8.655,356 2.771,357 4.071,358 2.943,359 5.992,360 3.638,361 2.652,362 3.702,363 0.172,364 8.437,365 2.618,366 3.927,367 2.876,368 5.484,369 3.597,370 2.625,371 3.455,373 7.392,374 2.559,375 3.735,376 2.583,377 5.352,378 3.331,379 2.355,380 3.188,382 6.916,383 2.322,384 3.619,385 2.504,386 5.198,387 3.256,388 2.27,389 2.968,391 6.258,392 2.2,393 3.294,394 2.367,395 4.936,396 3.117,397 2.165,398 2.507,400 5.518,401 2.055,402 3.212,403 1.912,404 4.819,405 2.822,406 1.833,407 2.364,409 5.467,410 1.808,411 3.032,412 1.88,413 4.47,414 2.772,415 1.775,416 2.283,418 4.202,419 1.767,420 2.88,421 1.731,422 4.016,423 2.543,424 1.551,425 1.975,427 3.685,428 1.537,429 2.797,430 1.618,431 3.858,432 2.456,433 1.463,434 1.862,436 3.084,437 1.451,438 2.745,439 1.53,440 3.613,441 2.329,442 1.351,443 1.801,445 2.92,446 1.316,447 2.589,448 1.469,449 3.601,450 2.249,451 1.243,452 1.553,454 2.889,455 1.249,456 2.5,457 1.227,458 3.468,459 2.075,460 1.056,461 1.5,463 2.713,464 1.07,465 2.5,466 1.022,467 3.414,468 2,469 1,470 1.5,472 2.275,473 1,474 19.9,475 0.485,476 0.763,477 0.019,478 52.5,479 1.28,480 28,481 0.683,482 24.5,483 0.598,484 38.225,485 0.932,486 43.1,487 0.539,488 41.997,489 1.024,490 10.266,491 0.25,492 9.814,493 0.239,494 0.067,496 0.271,501 0.756,502 1.15,503 0.864,504 1.067,505 0.631,506 0.988,507 1.086,508 1.022,509 0.972,510 1.003,511 0.692,512 0.972,513 1.111,514 1.081,515 0.977,516 1.059,517 0.841,518 1.013,519 1.303,520 0.918,521 0.936,522 0.897,523 1.206,524 0.883,525 1.199,526 0.92,527 0.934,528 0.913,529 1.263,530 0.899,531 1.065,532 0.972,533 1.005,534 0.99,535 1.266,536 0.991,537 1.113,538 1.008,539 1.066,540 1.031,541 1.33,542 1.044,543 0.69,544 0.967,545 0.964,546 1.007,547 0.492,548 1.011,549 6,550 0.16,551 3.556,552 2.354,553 2.188,554 1.289,555 0.609,556 0.477,557 0.424,558 0.233,559 35826,560 75650,561 2.12,562 48.8,563 9,564 26,569 4,572 1.797,573 2.033,574 4.139,575 -0.897,582 102.119,583 1.276,584 3.129,585 4.415,586 5.364,587 5.703,588 5.703,589 3.598,590 5.016,591 5.324,592 4.404,593 3611.27,594 9.357,595 71846.8,600 505.754,601 1.182,602 5.311,603 0.133,604 0.005,605 0.059,606 0.039,607 0.038,608 0.022,609 0.011,610 0.01,611 0.01,612 0.006,613 0.332,614 0.33,615 0.5,616 0.407,617 242.009,618 0.03,619 -0.067,620 0.062,621 -0.022,622 -0.003,623 0.015,624 -0.045,625 0.045,626 -0.001,627 -0.002,628 0.031,629 0.006,630 -0.003,631 -0.077,632 0.011,633 -0.065,634 0.08,635 -0.031,636 0.051,637 0.07,638 0.087,639 0.075,640 0.122,641 0.084,642 -0.041,643 0.077,644 0.066,645 0.072,646 0.056,647 0.079,648 0.042,649 0.018,650 -0.013,651 0.002,652 0.038,653 -0.007,654 -0.078,655 -0.031,656 -0.077,657 -0.042,658 -0.139,659 -0.056,660 0.159,661 0.002,662 0.017,663 -0.019,664 0.09,665 -0.015,666 1.701,667 6.583,668 0.659,669 68.017,670 0.986,671 1.113,672 6.15,673 37.821,674 0.673,675 3.829,676 4.111,677 4.369,678 4.635,679 4.883,680 4.956,681 5.088,682 5.247,683 5.328,684 5.371,685 11.203,686 0.627,687 545.77,688 3.829,689 5.352,690 6.188,691 7.05,692 7.911,693 8.787,694 9.664,695 10.551,696 11.439,697 12.335,698 1.3,701 1,714 2,715 17,718 1,720 7,722 28,727 1,739 1,741 80,743 29,744 4,745 45,747 84,748 37,749 26,750 7,751 17,752 1,756 5,757 6,763 1,770 5,772 27,773 10,777 1,782 1,786 1,792 1,793 39,794 4,796 4,802 1,808 0.8,809 3,828 1,829 4,832 1,855 1,859 4,864 2,868 41,876 8,878 1,881 1,893 3.8,896 1,898 2,901 20.167,902 14.867,903 9.167,904 5.122,907 4.959,908 1.579,909 0.99,910 9.932,911 13.518,912 4.111,913 4.689,914 5.29,915 5.9,916 6.478,917 6.785,918 7.232,919 7.712,920 8.061,921 8.411,922 0.923,923 61,924 15.226,926 6.358,927 0.026,929 7.516,931 29.867,933 24.479,936 2.016,937 82.667,941 459.073,942 238.957,943 3.124,945 45.652,948 238.957,949 504.725,950 3.124,951 17.222,952 21.476,953 161.096,954 30.278,955 47.376,956 10.285,957 459.073,959 459.073,960 242.081,961 45.652,964 411.989,965 92.737,968 33.426,969 208.655,972 459.073,973 48.776,974 238.957,977 459.073,978 60.639,979 181.442,981 45.652,982 459.073,983 48.776,984 238.957,986 0.567,987 0.324,988 0.177,989 0.101,990 26,991 11,992 0.167,993 14,994 1,995 1.074,996 5.352,997 386.526,998 0.074,999 27,1000 207.66,1005 28.701,1006 14.188,1007 7.682,1008 1.539,1009 48.776,1010 33.945,1013 6.216,1015 6.037,1018 746.806,1019 60,1024 13.583,1028 -0.034,1031 78.872,1032 89.015,1034 0.202,1035 0.495,1036 0.698,1037 0.848,1038 0.902,1039 0.902,1040 5.318,1041 1.833,1042 6.138,1043 5.518,1044 4.796,1045 5.378,1046 1.382,1047 6.911,1048 4.774,1049 6.501,1050 1.775,1051 7.664,1052 5.467,1053 4.205,1054 5.037,1055 0.325,1056 7.758,1057 4.18,1058 7.786,1059 1.551,1060 9.298,1061 4.202,1062 6.337,1063 7.567,1064 1.115,1065 10.909,1066 6.303,1067 9.112,1068 1.463,1069 11.001,1070 3.685,1071 6.635,1072 8.14,1073 0.393,1074 12.711,1075 6.614,1076 10.477,1077 1.351,1078 12.752,1079 3.084,1080 8.182,1081 10.093,1082 0.921,1083 15.391,1084 8.155,1085 11.871,1086 1.243,1087 14.539,1088 2.92,1089 8.923,1090 11.126,1091 0.384,1092 17.599,1093 8.917,1094 13.29,1095 1.056,1096 16.354,1097 2.889,1098 10.23,1099 12.827,1100 0.764,1101 20.141,1102 10.223,1103 3.331,1104 1,1105 18.192,1106 2.713,1107 11.199,1108 14.103,1109 0.351,1110 22.519,1111 11.213,1112 2.746,1113 12.102,1114 20.047,1115 2.275,1116 12.412,1117 15.695,1118 0.634,1119 25.021,1120 12.431,1121 2.652,1122 8.655,1123 21.918,1124 4.656,1125 13.495,1126 17.099,1127 0.312,1128 27.468,1129 13.531,1130 2.625,1131 8.437,1132 23.802,1133 3.753,1134 14.68,1135 18.646,1136 0.525,1137 29.961,1138 14.725,1139 2.355,1140 7.392,1141 25.696,1142 3.702,1143 15.819,1144 20.115,1145 0.273,1146 32.435,1147 15.877,1148 2.27,1149 6.916,1150 27.599,1151 3.455,1152 17,1153 21.648,1154 0.433,1155 34.926,1156 17.068,1157 2.165,1158 6.258,1159 29.51,1160 3.188,1161 18.167,1162 23.15,1163 0.236,1164 37.411,1165 18.246,1166 33439,1167 48945,1168 30.8,1169 53.836,1170 66.48,1171 67.012,1172 67.427,1173 65.909,1174 65.875,1175 87.487,1176 3.898,1177 180.702,1178 65.097,1179 5.698,1180 5.658,1181 6.935,1182 5.389,1183 5.331,1184 7.656,1185 1.776,1186 19.505,1187 5.353,1188 15.982,1189 1.477,1190 1.489,1191 1.498,1192 1.465,1193 1.464,1194 1.944,1195 0.087,1196 4.016,1197 1.447,1198 4.153,1199 4.155,1200 4.127,1201 4.07,1202 7.427,1203 4.082,1204 3.933,1205 3.972,1206 3.854,1207 3.861,1208 5.121,1209 3.855,1210 3.905,1211 3.93,1212 3.841,1213 3.847,1214 4.816,1215 3.841,1216 3.861,1217 3.886,1218 3.798,1219 3.79,1220 4.757,1221 3.788,1222 3.758,1223 3.817,1224 3.608,1225 3.64,1226 4.708,1227 3.622,1228 3.585,1229 3.658,1230 3.436,1231 3.409,1232 4.423,1233 3.405,1234 3.433,1235 3.466,1236 3.356,1237 3.319,1238 4.278,1239 3.323,1240 3.353,1241 3.421,1242 3.188,1243 3.167,1244 4.238,1245 3.159,1246 0.105,1247 0.081,1248 0.157,1249 0.096,1250 0.074,1251 4.736,1252 0.103,1253 3.658,1254 0.02,1255 7.044,1256 0.269,1257 4.338,1258 0.075,1259 3.331,1260 4.656,1261 0.916,1262 12.102,1263 3.353,1264 1.972,1265 1.957,1266 2.064,1267 2.039,1268 1.392,1269 2.047,1270 1.917,1271 1.885,1272 2.06,1273 2.023,1274 1.209,1275 2.038,1276 1.893,1277 1.876,1278 2.022,1279 1.999,1280 1.189,1281 2,1282 1.885,1283 1.861,1284 1.997,1285 1.964,1286 1.115,1287 1.977,1288 1.775,1289 1.715,1290 1.983,1291 1.924,1292 1.102,1293 1.951,1294 1.578,1295 1.511,1296 1.838,1297 1.786,1298 1.066,1299 1.807,1300 1.434,1301 1.42,1302 1.665,1303 1.619,1304 0.857,1305 1.629,1306 1.35,1307 1.273,1308 1.582,1309 1.56,1310 0.678,1311 1.566,1312 4.511,1314 5.802,1315 2.398,1316 7.286,1317 4.844,1318 8.86,1319 7.066,1320 10.487,1322 4.216,1328 8.747,1330 6.019,1333 2.398,1340 50.175,1341 102.119,1342 250.308,1343 353.174,1344 429.125,1345 456.244,1346 456.244,1347 75.804,1348 8.559,1349 42.68,1350 42.68,1351 29,1352 12.863,1353 4.907,1354 4,1355 67.181,1356 277,1357 299,1358 0.114,1359 306.52,1360 532.77,1361 739.668,1362 86017,1364 28.443,1365 0.694,1366 0.589,1367 28.443,1368 24.144,1369 20.081,1370 0.446,1371 0.326,1372 14.558,1373 19.656,1374 14.13,1375 11.822,1376 20.081,1377 14.669,1378 17.389,1379 0.29,1380 0.181,1381 17.389,1382 10.861,1383 14.459,1384 0.185,1385 0.096,1386 14.459,1387 7.501,1388 11.92,1389 0.117,1390 0.051,1391 11.92,1392 5.204,1393 9.85,1394 0.075,1395 0.028,1396 9.85,1397 3.62,1398 0.19,1399 123.482,1400 0.18,1401 38.149,1402 0.282,1403 210,1404 518.852,1405 221.603,1406 508.496,1407 708.27,1408 480,1409 243,1410 526.124,1411 255.963,1412 539.322,1413 787.8,1414 508,1415 4.979}
{0 CHEMBL456156,1 1.413,2 7.958,3 5.228,4 27.33,5 100.216,6 8.084,7 0.667,8 3.809,9 3.9,10 3.51,11 3.534,12 4.926,13 3.466,14 4.285,15 4.403,16 3.892,17 3.938,18 5.35,19 3.835,20 4.598,21 4.77,22 4.053,23 4.112,24 5.59,25 3.975,26 4.59,27 4.783,28 3.893,29 4.049,30 5.52,31 3.899,32 4.594,33 4.787,34 3.909,35 4.071,36 5.554,37 3.937,38 4.641,39 4.843,40 3.838,41 4.073,42 5.596,43 3.934,44 4.571,45 4.775,46 3.759,47 3.961,48 5.593,49 3.83,50 4.455,51 4.688,52 3.298,53 3.71,54 5.444,55 3.539,56 0.035,57 0.471,58 7.663,59 3.74,60 7.919,61 4.668,62 0.043,63 0.801,64 14.449,65 6.645,66 11.345,67 8.162,68 0.152,69 1.199,70 25.067,71 9.907,72 24.781,73 11.633,74 0.144,75 1.196,76 25.309,77 10.047,78 22.711,79 11.972,80 0.174,81 1.16,82 23.939,83 9.925,84 26.121,85 12.378,86 0.151,87 1.212,88 24.755,89 10.253,90 26.001,91 12.809,92 0.141,93 1.096,94 22.108,95 9.396,96 24.943,97 12.028,98 0.111,99 0.98,100 20.55,101 8.755,102 27.844,103 11.352,104 2,105 37,106 0.246,107 0.503,108 0.644,109 0.831,110 0.889,111 0.889,112 3.23,113 0.983,114 -5.79,115 -5.65,116 -5.26,121 51.2,123 1,129 1,144 13,145 2,146 3,159 1,176 13,180 3,185 2,187 17,192 5,197 2,200 14,206 3,211 1,214 12,219 3,222 1,224 1,227 19,232 2,239 21,244 1,249 3,251 21,261 4,264 13,274 3,277 5,281 728,282 16.654,283 16.654,284 16.654,285 16.654,286 16.654,287 14.255,288 13.329,289 10.069,290 16.912,291 13.397,292 13.397,293 13.397,294 13.397,295 13.397,296 9.923,297 13.412,298 4.85,299 13.883,300 3.945,301 2.463,302 1.649,303 0.573,304 0.244,305 0.244,306 3.934,311 1,312 1,313 421,314 1.871,318 178.525,319 57.601,323 98.581,325 1.052,326 13.185,329 0.75,330 0.83,331 1,332 0.6,333 0.5,334 1,335 1,336 0.81,337 49.5,338 191,339 4.384,340 4.627,341 6.379,342 4.014,343 3.065,344 3.974,345 3.272,346 9.913,347 2.919,348 4.113,349 3.365,350 6.051,351 3.718,352 2.75,353 3.712,354 0.986,355 8.778,356 2.654,357 4.018,358 3.177,359 6.015,360 3.656,361 2.682,362 3.531,364 8.629,365 2.598,366 3.62,367 2.617,368 5.054,369 3.183,370 2.226,371 2.976,373 6.101,374 2.125,375 3.182,376 2.34,377 4.594,378 2.801,379 1.853,380 2.376,382 4.848,383 1.744,384 2.998,385 2.021,386 4.423,387 2.529,388 1.572,389 2.174,391 4.318,392 1.499,393 2.88,394 1.644,395 3.913,396 2.408,397 1.433,398 2.039,400 3.173,401 1.38,402 2.747,403 1.443,404 3.622,405 2.295,406 1.307,407 1.843,409 2.996,410 1.287,411 2.574,412 1.4,413 3.481,414 2.117,415 1.124,416 1.588,418 2.573,419 1.114,420 2.5,421 1.139,422 3.449,423 2,424 1,425 1.5,427 2.317,428 1,429 2.352,430 1,431 3.247,432 1.866,433 0.908,434 1.266,436 2.136,437 0.859,438 1.246,439 0.657,440 2.863,441 0.934,447 1.103,448 0.539,449 2.773,450 0.727,451 -0.175,452 -0.208,454 -0.511,455 -0.155,456 0.932,457 -0.057,458 2.44,459 0.529,460 -0.404,461 -0.509,463 -0.899,464 -0.37,465 0.717,466 -0.209,467 2,468 0.332,469 -0.653,470 -0.829,472 -1.567,473 -0.644,474 12.067,475 0.503,476 0.465,477 0.019,478 35.25,479 1.469,480 21,481 0.875,482 14.25,483 0.594,484 17.135,485 0.714,486 23.333,487 0.569,488 23.229,489 0.968,490 6.727,491 0.28,492 5.065,493 0.211,494 0.028,496 0.29,501 0.884,502 0.854,503 0.735,504 0.758,505 0.955,506 0.776,507 0.681,508 1.116,509 0.995,510 1.048,511 0.616,512 0.999,513 1.062,514 1.109,515 1.212,516 1.105,517 0.953,518 0.988,519 0.988,520 1.072,521 1.263,522 1.127,523 0.821,524 1.04,525 0.692,526 0.948,527 1.032,528 0.984,529 0.644,530 0.944,531 0.962,532 0.955,533 1.05,534 0.994,535 0.902,536 1,537 0.887,538 1,539 0.862,540 1.002,541 0.988,542 1.03,543 0.972,544 1.108,545 0.993,546 1.128,547 1.044,548 1.186,549 4,550 0.012,551 2.222,552 1.063,553 1.206,554 0.803,555 0.294,556 0.277,557 0.167,558 0.057,559 5986,560 14966,561 2.187,562 41.5,564 14,567 1,568 2,572 1.678,573 2.118,574 3.008,575 -0.424,582 57.934,583 1.413,584 2.895,585 3.708,586 4.784,587 5.114,588 5.114,589 2.365,590 4.418,591 4.558,592 3.123,593 861.913,594 7.913,595 9907.34,600 219.66,601 1.099,602 4.546,603 0.148,604 0.006,605 0.06,606 0.027,607 0.034,608 0.021,609 0.008,610 0.009,611 0.008,612 0.006,613 0.328,614 0.67,615 0.88,616 0.382,617 111.086,618 -0.063,619 0.059,620 0.053,621 0.097,622 -0.119,623 0.069,624 0.007,625 -0.163,626 -0.027,627 -0.091,628 0.022,629 -0.108,630 -0.056,631 -0.064,632 -0.022,633 -0.03,634 -0.072,635 -0.037,636 -0.094,637 -0.028,638 -0.116,639 -0.07,640 -0.057,641 -0.072,642 0.094,643 0.043,644 -0.015,645 0.014,646 0.087,647 0.027,648 -0.096,649 0.026,650 -0.095,651 -0.031,652 -0.063,653 -0.031,654 0.049,655 -0.062,656 0.003,657 -0.083,658 0.008,659 -0.058,660 -0.003,661 -0.185,662 -0.131,663 -0.2,664 0.036,665 -0.178,666 1.392,667 3.832,668 0.958,669 17.167,670 0.99,671 1.096,672 4.556,673 20.756,674 0.737,675 3.332,676 3.638,677 3.912,678 4.19,679 4.477,680 4.575,681 4.745,682 4.898,683 5.004,684 5.043,685 5.078,686 0.686,687 331.46,688 3.332,689 4.86,690 5.707,691 6.578,692 7.444,693 8.321,694 9.196,695 10.077,696 10.955,697 11.838,698 2.4,707 1,715 13,720 5,722 18,725 1,738 1,741 41,743 19,744 3,745 27,747 44,748 21,749 18,750 5,751 13,752 1,756 4,757 5,767 2,770 2,772 19,773 2,777 1,785 1,786 1,793 17,794 2,795 1,796 3,797 1,802 1,808 0.75,809 1,829 3,830 1,834 1,859 3,860 1,862 1,868 24,875 1,876 1,879 1,880 1,893 2.4,895 1,901 11.333,902 7.233,903 5.25,904 2.414,907 3.578,908 1.487,909 1.001,910 4.204,911 10.924,912 3.638,913 4.227,914 4.794,915 5.35,916 5.91,917 6.068,918 6.504,919 6.925,920 7.365,921 7.722,922 1,923 40,924 8.853,926 3.784,927 0.026,929 7.569,931 17.247,933 14.514,936 2.069,937 49.667,941 188.338,942 171.381,943 16.786,945 42.683,947 32.22,948 139.161,949 231.021,950 16.786,952 2.535,953 123.191,954 45.44,955 27.464,957 220.557,959 188.338,960 155.947,961 42.683,962 32.22,964 188.338,965 42.683,968 19.32,969 136.627,971 32.22,972 188.338,973 59.469,974 171.381,977 188.338,978 48.189,979 123.191,981 59.469,982 188.338,983 59.469,984 171.381,986 0.573,987 0.332,988 0.186,989 0.109,990 19,991 7,992 0.045,993 2,994 1,995 1.087,996 3.596,997 206.04,998 0.087,999 23,1000 106.039,1001 1,1005 15.193,1006 6.641,1007 3.309,1009 59.469,1010 26.18,1015 4.748,1017 42.683,1018 419.187,1019 37,1027 4.911,1028 1.011,1031 40.574,1032 44.949,1034 0.264,1035 0.54,1036 0.692,1037 0.893,1038 0.954,1039 0.954,1040 4.848,1041 1.307,1042 5.666,1043 3.173,1044 4.317,1045 4.913,1046 3.193,1047 6.447,1048 4.243,1049 6.04,1050 1.124,1051 7.197,1052 2.996,1053 3.761,1054 4.46,1056 7.248,1057 3.611,1058 7.325,1059 1,1060 8.828,1061 2.573,1062 5.872,1063 7.05,1064 5.448,1065 10.361,1066 5.72,1067 8.644,1068 0.908,1069 10.52,1070 2.317,1071 6.155,1072 7.406,1074 12.002,1075 5.918,1076 9.993,1078 12.251,1079 2.136,1080 7.698,1081 9.433,1082 7.807,1083 14.588,1084 7.464,1085 11.364,1086 -0.175,1087 14.009,1089 8.389,1090 10.204,1092 16.572,1093 8.072,1094 12.752,1095 -0.404,1096 15.785,1097 -0.511,1098 9.678,1099 11.945,1100 10.177,1101 18.961,1102 9.354,1103 3.065,1104 -0.653,1105 17.575,1106 -0.899,1107 10.571,1108 12.949,1110 21.095,1111 10.171,1112 2.75,1113 9.913,1114 19.373,1115 -1.567,1116 11.746,1117 14.53,1118 12.548,1119 23.407,1120 11.326,1121 2.682,1122 8.778,1123 21.178,1124 3.974,1125 12.74,1126 15.672,1128 25.61,1129 12.252,1130 2.226,1131 8.629,1132 22.989,1133 3.712,1134 13.865,1135 17.161,1136 14.919,1137 27.892,1138 13.347,1139 1.853,1140 6.101,1141 24.804,1142 3.531,1143 14.91,1144 18.386,1146 30.129,1147 14.331,1148 1.572,1149 4.848,1150 26.622,1151 2.976,1152 16.016,1153 19.821,1154 17.29,1155 32.402,1156 15.398,1157 1.433,1158 4.318,1159 28.442,1160 2.376,1161 17.088,1162 21.098,1164 34.657,1165 16.412,1166 5631,1167 9004,1168 18.781,1169 30.199,1170 40.587,1171 42.867,1172 40.466,1173 39.99,1174 39.84,1175 53.956,1176 8.517,1177 111.56,1178 38.359,1179 5.282,1180 6.627,1181 6.181,1182 5.142,1183 5.065,1184 6.974,1185 6.545,1186 16.499,1187 4.919,1188 6.177,1189 1.503,1190 1.588,1191 1.499,1192 1.481,1193 1.476,1194 1.998,1195 0.315,1196 4.132,1197 1.421,1198 4.024,1199 4.048,1200 4.112,1201 3.984,1202 6.471,1203 3.963,1204 3.875,1205 3.902,1206 3.834,1207 3.82,1208 4.872,1209 3.814,1210 3.834,1211 3.859,1212 3.786,1213 3.787,1214 4.731,1215 3.776,1216 3.455,1217 3.503,1218 3.455,1219 3.373,1220 4.614,1221 3.347,1222 3.081,1223 3.12,1224 3.234,1225 3.016,1226 4.279,1227 2.978,1228 2.93,1229 2.97,1230 2.808,1231 2.756,1232 3.84,1233 2.749,1234 2.854,1235 2.925,1236 2.796,1237 2.746,1238 3.674,1239 2.718,1240 2.817,1241 2.876,1242 2.687,1243 2.735,1244 3.598,1245 2.715,1246 0.162,1247 0.171,1248 0.236,1249 0.149,1250 0.114,1251 4.384,1252 0.147,1253 4.627,1254 0.121,1255 6.379,1256 0.367,1257 4.014,1258 0.108,1259 3.065,1260 3.974,1261 3.272,1262 9.913,1263 2.919,1264 1.94,1265 1.916,1266 2.048,1267 2.024,1268 1.265,1269 2.033,1270 1.914,1271 1.893,1272 2.005,1273 1.98,1274 1.107,1275 1.999,1276 1.837,1277 1.814,1278 1.945,1279 1.913,1280 1.034,1281 1.929,1282 1.475,1283 1.434,1284 1.653,1285 1.61,1286 0.873,1287 1.636,1288 1.084,1289 1.051,1290 1.213,1291 1.217,1292 0.375,1293 1.235,1294 0.886,1295 0.839,1296 1.181,1297 1.135,1298 0.218,1299 1.13,1300 0.883,1301 0.821,1302 1.137,1303 1.062,1304 0.198,1305 1.107,1306 0.859,1307 0.803,1308 1.123,1309 1.018,1310 0.163,1311 1.064,1312 4.007,1314 5.313,1316 6.817,1317 2.708,1318 8.404,1319 5.293,1320 10.033,1327 9.832,1328 0.826,1331 1.856,1332 0.302,1340 28.138,1341 57.934,1342 118.693,1343 152.044,1344 196.15,1345 209.66,1346 209.66,1347 30.526,1348 7.346,1349 32.59,1350 57.89,1351 25,1352 12.373,1353 4.322,1354 3.459,1355 33.474,1356 74,1357 68,1358 0.228,1359 175.284,1360 301.62,1361 419.452,1362 14605,1364 16.355,1365 0.681,1366 0.58,1367 16.709,1368 13.909,1369 11.793,1370 0.437,1371 0.328,1372 8.017,1373 11.205,1374 7.749,1375 6.408,1376 12.201,1377 8.85,1378 10.462,1379 0.283,1380 0.19,1381 11.104,1382 7.042,1383 8.843,1384 0.18,1385 0.111,1386 9.665,1387 5.442,1388 7.549,1389 0.116,1390 0.064,1391 8.447,1392 4.165,1393 6.508,1394 0.075,1395 0.037,1396 7.466,1397 3.214,1398 0.341,1399 75.825,1400 0.231,1401 22.817,1402 0.676,1403 128,1404 306.655,1405 157.78,1406 330.96,1407 463.12,1408 312,1409 150,1410 331.247,1411 177.655,1412 355.09,1413 519.34,1414 337,1415 4.398}
{0 CHEMBL456881,1 1.532,2 5.071,3 1.291,4 1.666,5 52.67,6 7.76,7 0.375,8 3.316,9 3.426,10 2.945,11 2.912,12 4.389,13 2.898,14 3.871,15 4.033,16 3.331,17 3.319,18 4.927,19 3.286,20 4.106,21 4.328,22 3.327,23 3.356,24 5.17,25 3.308,26 3.935,27 4.134,28 3.123,29 3.124,30 5.213,31 3.091,32 3.642,33 3.827,34 2.557,35 2.859,36 4.785,37 2.757,38 3.36,39 3.605,40 1.922,41 2.582,42 4.105,43 2.367,44 3.133,45 3.496,46 0.739,47 1.989,48 3.555,49 1.608,50 2.091,51 2.539,52 0.055,53 0.77,54 2.197,55 0.441,56 0.005,57 0.361,58 4.405,59 2.103,60 2.588,61 2.679,62 0.113,63 0.621,64 8.842,65 3.62,66 7.819,67 4.816,68 0.118,69 0.734,70 12.939,71 4.496,72 15.804,73 6.137,74 0.207,75 0.582,76 11.091,77 3.597,78 33.794,79 4.515,80 0.155,81 0.411,82 8.192,83 2.987,84 27.99,85 3.549,86 0.047,87 0.311,88 6.221,89 2.68,90 9.678,91 3.713,92 0.047,93 0.22,94 6.177,95 2.284,96 8.385,97 3.515,98 0.03,99 0.062,100 2.527,101 0.755,102 4.093,103 1.265,104 2,105 23,106 0.309,107 0.66,108 0.791,109 0.858,110 0.875,111 0.875,112 2.739,113 0.909,114 -3.27,115 -3.26,116 -3.12,121 45.8,123 2,127 1,144 4,145 1,146 1,160 2,176 5,179 2,180 7,187 4,192 5,200 2,205 1,206 7,214 3,219 2,227 4,239 3,281 110,282 9.707,283 9.707,284 9.707,285 9.707,286 9.707,287 8.705,288 13.213,289 5.683,290 9.844,291 7.9,292 7.9,293 7.9,294 7.9,295 7.9,296 6.296,297 18.091,298 2.677,299 8.127,300 3.053,301 1.313,302 0.667,303 0.333,304 0.25,305 0.25,306 3.409,311 1,312 1,313 159,314 1.581,317 19.192,318 43.526,321 32.994,322 37.086,325 0.663,326 12.846,329 1,330 0.67,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.83,337 30,338 71,339 4.506,340 3.819,341 6.771,342 4.178,343 3.211,344 4.069,345 1.506,346 11.044,347 3.109,348 3.826,349 3.026,350 5.989,351 3.511,352 2.547,353 3.119,354 1.041,355 8.393,356 2.446,357 3.489,358 2.677,359 5.276,360 3.056,361 2.072,362 2.715,363 0.227,364 6.31,365 2.029,366 2.897,367 1.717,368 4.073,369 2.457,370 1.466,371 2.056,373 3.166,374 1.45,375 2.58,376 1.406,377 3.726,378 2.147,379 1.158,380 1.575,382 3.109,383 1.143,384 2.322,385 1.302,386 3.504,387 2.082,388 1.106,389 1.236,391 2.489,392 1.077,393 1.846,394 1.162,395 3.275,396 1.588,397 0.572,398 0.682,400 1.402,401 0.575,402 1.235,403 0.381,404 2.778,405 0.88,406 -0.111,407 -0.143,409 -0.281,410 -0.109,411 0.749,412 -0.403,413 2.289,414 0.297,415 -0.684,416 -0.886,418 -1.718,419 -0.666,420 0.588,421 -0.525,422 2,423 0.099,424 -0.908,425 -1.324,427 -2.159,428 -0.913,429 0.012,430 -0.937,431 1.591,432 -0.275,433 -1.279,434 -1.56,436 -3.38,437 -1.279,438 -0.295,439 -1.203,440 1.429,441 -0.584,442 -1.569,443 -1.715,445 -4.301,446 -1.484,447 -0.5,448 -1.423,449 1.363,450 -0.675,451 -1.637,452 -2,454 -5.033,455 -1.632,456 -0.582,457 -1.626,458 1.107,459 -0.989,460 -1.946,461 -2.214,462 -0.646,463 -5.677,464 -1.858,465 -0.743,466 -1.794,467 0.512,468 -1,469 -2,470 -2.61,471 -1.003,472 -5.828,473 -1.887,474 6.633,475 0.474,476 0.312,477 0.022,478 19,479 1.357,480 9.5,481 0.679,482 9.5,483 0.679,484 8.309,485 0.594,486 14.367,487 0.599,488 10.319,489 0.737,490 3.579,491 0.256,492 3.281,493 0.234,494 0.05,496 0.362,501 0.62,502 1.317,503 0.689,504 1.03,505 0.48,506 0.895,507 0.579,508 1.117,509 0.8,510 0.986,511 0.514,512 0.932,513 1.02,514 1.057,515 0.87,516 0.927,517 0.813,518 0.867,519 1.701,520 0.899,521 1.123,522 0.903,523 1.83,524 0.916,525 2.038,526 0.935,527 1.569,528 1.102,529 2.338,530 1.261,531 0.538,532 1.086,533 1.334,534 1.403,535 0.584,536 1.488,537 0.101,538 0.822,539 0.869,540 1.061,541 0.122,542 1.088,549 2,551 1.778,552 1.063,553 0.978,554 0.167,555 0.024,559 1295,560 3158,561 2.2,562 41.7,564 6,568 2,569 2,572 1.515,573 2.1,574 2.442,575 -0.766,579 1,582 36.766,583 1.532,584 3.272,585 3.918,586 4.252,587 4.335,588 4.335,589 1.577,590 3.236,591 3.789,592 2.418,593 220.044,594 6.34,595 1680.08,597 1,600 110.039,601 1.264,602 3.757,603 0.125,605 0.077,606 0.048,607 0.058,608 0.019,609 0.006,613 0.333,614 1,615 1,616 0.544,617 50.693,618 -0.006,619 -0.232,620 0.071,621 -0.069,622 -0.001,623 -0.005,624 0.183,625 -0.043,626 0.048,627 -0.053,628 0.044,629 -0.035,630 -0.063,631 -0.051,632 0.094,633 -0.001,634 0.027,635 0.067,636 -0.144,637 0.096,638 -0.116,639 0.005,640 -0.085,641 -0.034,642 -0.493,643 -0.021,644 -0.595,645 -0.147,646 -0.424,647 -0.354,648 -0.049,649 -0.244,650 -0.402,651 -0.384,652 -0.086,653 -0.441,654 0.242,655 -0.11,656 0.253,657 -0.008,658 0.145,659 0.098,660 0.464,661 0.619,662 1.366,663 1.091,664 0.348,665 1.324,666 1.553,667 4.943,668 0.929,669 5.449,670 1.003,671 1.119,672 2.038,673 4.153,674 0.688,675 2.833,676 3.178,677 3.526,678 3.829,679 4.007,680 4.06,681 4.111,682 4.127,683 3.951,684 3.584,685 3.226,686 0.661,687 186.23,688 2.833,689 4.369,690 5.252,691 6.151,692 7.048,693 7.953,694 8.854,695 9.76,696 10.662,697 11.568,698 8.3,705 1,707 1,715 4,720 2,722 6,730 1,741 24,743 8,744 1,745 16,747 26,748 11,749 6,750 2,751 4,752 2,756 3,757 6,767 2,770 2,772 8,773 3,777 2,782 1,785 1,786 2,790 1,793 10,794 3,796 3,802 2,804 1,808 0.333,809 1,828 1,829 2,832 1,833 1,859 1,868 14,876 3,881 1,893 4.2,896 1,901 6.667,902 4.4,903 3.028,904 1.592,907 1.82,908 1.293,909 1.035,910 1.555,911 8.039,912 3.091,913 3.651,914 4.245,915 4.803,916 5.286,917 5.491,918 5.791,919 6.001,920 6.183,921 6.013,922 0.5,923 22,924 5.195,925 0.002,926 2.294,927 0.026,929 7.726,931 10.039,932 0.001,933 8.621,936 2.226,937 31.167,938 0.008,941 117.711,942 58.055,943 19.91,945 25.145,948 58.055,949 142.856,950 19.91,952 10.299,953 37.905,954 32.177,955 22.728,957 117.711,959 117.711,960 77.964,961 25.145,964 94.169,965 48.687,968 27.085,969 50.88,972 117.711,973 45.055,974 58.055,977 117.711,978 20.15,979 41.029,981 41.93,982 117.711,983 45.055,984 58.055,986 0.586,987 0.364,988 0.21,989 0.105,990 14,991 5,994 2,995 1.308,996 2.65,997 97.608,998 0.308,999 13,1000 51.303,1005 7.892,1006 2.759,1007 1.064,1009 45.055,1010 7.542,1015 1.559,1018 220.82,1019 21,1024 11.943,1027 4.48,1028 1.053,1031 24.065,1032 26.867,1034 0.334,1035 0.714,1036 0.855,1037 0.927,1038 0.945,1039 0.945,1040 4.337,1041 -0.111,1042 5.242,1043 1.402,1044 3.85,1045 4.331,1046 1.958,1047 6.103,1048 3.795,1049 5.53,1050 -0.684,1051 6.828,1052 -0.281,1053 3.434,1054 4.06,1055 1.048,1056 7.091,1057 3.336,1058 6.841,1059 -0.908,1060 8.521,1061 -1.718,1062 5.476,1063 6.456,1064 2.312,1065 10.248,1066 5.351,1067 8.19,1068 -1.279,1069 10.277,1070 -2.159,1071 5.943,1072 7.03,1073 1.951,1074 12.07,1075 5.775,1076 9.575,1077 -1.569,1078 12.073,1079 -3.38,1080 7.43,1081 8.885,1082 2.835,1083 14.736,1084 7.234,1085 10.985,1086 -1.637,1087 13.896,1088 -4.301,1089 8.288,1090 9.858,1091 2.805,1092 16.882,1093 8.054,1094 12.413,1095 -1.946,1096 15.737,1097 -5.033,1098 9.565,1099 11.483,1100 3.477,1101 19.383,1102 9.302,1103 3.211,1104 -2,1105 17.59,1106 -5.677,1107 10.596,1108 12.66,1109 3.645,1110 21.668,1111 10.298,1112 2.547,1113 11.044,1114 19.454,1115 -5.828,1116 11.795,1117 14.174,1118 4.199,1119 24.108,1120 11.466,1121 2.072,1122 8.393,1123 21.325,1124 4.069,1125 12.901,1126 15.457,1127 4.477,1128 26.455,1129 12.539,1130 1.466,1131 6.31,1132 23.202,1133 3.119,1134 14.074,1135 16.917,1136 4.965,1137 28.871,1138 13.68,1139 1.158,1140 3.166,1141 25.083,1142 2.715,1143 15.211,1144 18.257,1145 5.305,1146 31.246,1147 14.786,1148 1.106,1149 3.109,1150 26.969,1151 2.056,1152 16.376,1153 19.689,1154 5.757,1155 33.653,1156 15.919,1157 0.572,1158 2.489,1159 28.859,1160 1.575,1161 17.529,1162 21.058,1163 6.129,1164 36.041,1165 17.039,1166 1269,1167 2054,1168 11.038,1169 16.512,1170 24.559,1171 25.4,1172 24.977,1173 24.298,1174 24.265,1175 30.903,1176 5.546,1177 71.825,1178 23.654,1179 5.438,1180 5.819,1181 6.453,1182 5.25,1183 5.211,1184 7.069,1185 2.629,1186 18.579,1187 5.109,1188 3.784,1189 1.535,1190 1.587,1191 1.561,1192 1.519,1193 1.517,1194 1.931,1195 0.347,1196 4.489,1197 1.478,1198 4.023,1199 4.059,1200 3.981,1201 3.914,1202 7.428,1203 3.924,1204 3.705,1205 3.757,1206 3.598,1207 3.586,1208 4.839,1209 3.582,1210 3.187,1211 3.212,1212 3.115,1213 2.997,1214 4.427,1215 3.018,1216 3.022,1217 3.093,1218 2.917,1219 2.848,1220 3.882,1221 2.855,1222 2.76,1223 2.851,1224 2.56,1225 2.589,1226 3.609,1227 2.57,1228 2.461,1229 2.536,1230 2.326,1231 2.275,1232 3.291,1233 2.284,1234 2.448,1235 2.51,1236 2.257,1237 2.128,1238 3.085,1239 2.156,1240 1.902,1241 2.078,1242 1.462,1243 1.525,1244 2.641,1245 1.476,1246 0.282,1247 0.239,1248 0.423,1249 0.261,1250 0.201,1251 4.506,1252 0.254,1253 3.819,1254 0.094,1255 6.771,1256 0.69,1257 4.178,1258 0.194,1259 3.211,1260 4.069,1261 1.506,1262 11.044,1263 3.109,1264 1.932,1265 1.908,1266 2.018,1267 2.042,1268 1.176,1269 2.032,1270 1.566,1271 1.499,1272 1.836,1273 1.746,1274 1.114,1275 1.78,1276 1.413,1277 1.359,1278 1.566,1279 1.623,1280 0.76,1281 1.613,1282 0.958,1283 0.919,1284 1.173,1285 1.162,1286 0.233,1287 1.154,1288 0.798,1289 0.737,1290 1.067,1291 0.998,1292 0.167,1293 1.028,1294 0.43,1295 0.391,1296 0.757,1297 0.758,1299 0.736,1300 0.15,1301 0.028,1302 0.579,1303 0.501,1305 0.562,1306 0.023,1308 0.425,1309 0.415,1311 0.451,1312 3.497,1314 4.828,1315 2.398,1316 6.382,1317 4.595,1318 8.042,1319 6.605,1320 9.758,1328 2.796,1333 1.794,1340 15.865,1341 36.766,1342 78.529,1343 94.039,1344 102.039,1345 104.039,1346 104.039,1347 16.056,1348 6.219,1349 34.89,1350 34.89,1351 17,1352 12.087,1353 3.17,1354 2.585,1355 18.023,1356 30,1357 17,1358 0.354,1359 97.054,1360 168.47,1361 228.571,1362 3271,1364 9.544,1365 0.682,1366 0.552,1367 9.544,1368 7.733,1369 6.86,1370 0.429,1371 0.303,1372 4.791,1373 6.643,1374 4.716,1375 3.866,1376 6.86,1377 4.846,1378 6.158,1379 0.268,1380 0.157,1381 6.158,1382 3.606,1383 5.642,1384 0.171,1385 0.083,1386 5.642,1387 2.723,1388 4.978,1389 0.111,1390 0.045,1391 4.978,1392 2.031,1393 3.768,1394 0.07,1395 0.023,1396 3.768,1397 1.247,1398 0.503,1399 42.684,1400 0.301,1401 13.581,1402 1.139,1403 78,1404 217.026,1405 85.071,1406 210.616,1407 294.05,1408 198,1409 95,1410 222.974,1411 102.821,1412 224.085,1413 334.44,1414 213,1415 4.084}
{0 CHEMBL45830,1 1.221,2 7,3 4.734,4 22.409,5 86.178,6 6.568,7 0.261,8 3.815,9 3.932,10 3.278,11 3.443,12 4.806,13 3.375,14 4.415,15 4.601,16 3.719,17 3.903,18 5.331,19 3.82,20 4.741,21 4.928,22 3.91,23 4.142,24 5.831,25 4.037,26 4.931,27 5.172,28 3.852,29 4.161,30 5.896,31 4.025,32 4.871,33 5.107,34 3.648,35 4.002,36 5.924,37 3.859,38 4.647,39 4.894,40 3.343,41 3.71,42 5.722,43 3.563,44 4.307,45 4.531,46 2.922,47 3.391,48 5.407,49 3.229,50 4.07,51 4.342,52 2.43,53 3.107,54 4.921,55 2.89,56 0.028,57 0.538,58 9.637,59 4.685,60 5.743,61 6.252,62 0.076,63 0.95,64 18.127,65 8.307,66 12.415,67 11.295,68 0.221,69 1.294,70 25.528,71 11.282,72 48.184,73 15.342,74 0.192,75 1.505,76 31.438,77 13.135,78 40.719,79 18.081,80 0.303,81 1.363,82 30.372,83 11.719,84 65.931,85 15.768,86 0.292,87 1.061,88 24.589,89 9.073,90 63.569,91 12.136,92 0.227,93 0.755,94 17.447,95 6.425,96 50.156,97 8.485,98 0.169,99 0.595,100 13.642,101 5.154,102 34.683,103 7.062,104 38,105 36,106 0.215,107 0.524,108 0.706,109 0.788,110 0.788,111 0.788,112 3.106,113 1.017,114 -5.5,115 -5.37,116 -5.02,121 44.2,122 4,123 3,124 1,125 1,137 1,138 1,144 2,145 4,158 1,159 1,176 18,180 2,187 26,191 1,192 6,200 25,206 9,214 20,219 8,227 14,232 6,239 11,244 3,251 9,264 7,277 6,281 464,282 13.438,283 13.438,284 13.438,285 13.438,286 13.438,287 12.421,288 13.443,289 7.372,290 13.391,291 11.27,292 11.27,293 11.27,294 11.27,295 11.27,296 9.396,297 9.991,298 3.399,299 11.16,300 4.205,301 2.453,302 1.419,303 0.954,304 0.954,305 0.954,306 3.773,311 1,312 1,313 310,314 3.082,318 113.169,322 125.336,325 1.238,326 23.221,328 1,329 0.75,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.86,337 44,338 147,339 4.737,340 3.911,341 7.447,342 4.5,343 3.497,344 4.374,346 13.139,347 3.508,348 4.419,349 3.656,350 6.892,351 4.207,352 3.189,353 3.739,355 11.357,356 3.244,357 3.945,358 3.093,359 6.304,360 3.691,361 2.685,362 3.194,364 9.255,365 2.702,366 3.569,367 2.782,368 5.495,369 3.212,370 2.176,371 2.828,373 6.565,374 2.245,375 3.238,376 2.466,377 5.396,378 3.003,379 2.002,380 2.376,382 6.535,383 2.004,384 2.905,385 2.144,386 4.64,387 2.577,388 1.57,389 2.01,391 4.257,392 1.579,393 2.581,394 1.621,395 4.179,396 2.378,397 1.357,398 1.514,400 3.297,401 1.382,402 2.278,403 1.202,404 3.619,405 2.011,406 1,407 1.218,409 2.366,410 1.009,411 2.095,412 0.977,413 3.165,414 1.412,415 0.319,416 0.519,418 0.784,419 0.344,420 1.187,421 0.369,422 3.028,423 0.981,424 -0.042,425 -0.048,427 -0.109,428 -0.043,429 1.127,430 0.076,431 2.844,432 0.841,433 -0.173,434 -0.209,436 -0.474,437 -0.175,438 0.576,439 -0.403,440 2.721,441 0.357,442 -0.656,443 -0.76,445 -1.804,446 -0.663,447 0.422,448 -0.663,449 2.241,450 0.046,451 -0.974,452 -1,454 -2,455 -0.991,456 0.077,457 -0.787,458 2.149,460 -1,461 -1,463 -2.877,464 -1,466 -1,467 2,469 -1,470 -1.256,472 -3,473 -1,474 10.167,475 0.484,476 0.846,477 0.04,478 22.5,479 1.071,480 10.5,481 0.5,482 12,483 0.571,484 22.29,485 1.061,486 22.833,487 0.531,488 15.246,489 0.726,490 3.606,491 0.172,492 6.22,493 0.296,494 0.262,495 0.049,496 0.393,501 0.482,502 1.056,503 0.885,504 1.055,505 0.527,506 1.016,507 0.483,508 0.873,509 0.714,510 0.866,511 0.47,512 0.82,513 0.548,514 1.127,515 0.938,516 1.123,517 0.557,518 1.077,519 0.787,520 1.061,521 0.906,522 1.05,523 0.798,524 0.998,525 1.551,526 1.074,527 1.154,528 1.067,529 1.56,530 1.07,531 1.862,532 0.972,533 1.171,534 0.965,535 1.875,536 0.994,537 2.148,538 1.139,539 1.466,540 1.145,541 2.142,542 1.225,543 1.634,544 0.938,545 1.3,546 0.96,547 1.594,548 1.078,549 5.5,551 3.778,552 2.563,553 2.204,554 1.076,555 0.508,556 0.28,557 0.152,558 0.031,559 3481,560 7067,561 1.979,562 51.2,563 19,564 3,572 1.639,573 1.762,574 2.824,575 -0.891,582 52.511,583 1.221,584 2.974,585 4.007,586 4.472,587 4.472,588 4.472,589 2.298,590 3.88,591 4.366,592 2.944,593 618.198,594 7.517,595 6163.96,597 1,600 233.329,601 1.772,602 4.262,603 0.239,605 0.105,606 0.063,607 0.06,608 0.038,609 0.025,610 0.023,611 0.022,612 0.005,613 0.58,614 0.83,615 0.88,616 0.935,617 91.138,618 0.001,619 0.056,620 0.04,621 0.056,622 -0.036,623 0.052,624 0.063,625 0.181,626 0.223,627 0.191,628 0.069,629 0.219,630 0.191,631 -0.09,632 0.014,633 -0.086,634 0.182,635 -0.059,636 0.051,637 -0.075,638 0.058,639 -0.062,640 0.036,641 -0.01,642 -0.123,643 -0.107,644 -0.135,645 -0.11,646 -0.119,647 -0.122,648 -0.182,649 -0.023,650 -0.126,651 -0.031,652 -0.175,653 -0.067,654 -0.318,655 -0.179,656 -0.413,657 -0.205,658 -0.281,659 -0.303,660 -0.274,661 -0.001,662 -0.29,663 -0.028,664 -0.229,665 -0.143,666 1.978,667 5.624,668 0.667,669 12.871,670 0.985,671 1.116,672 4.268,673 18.218,674 0.658,675 3.178,676 3.611,677 3.932,678 4.234,679 4.511,680 4.654,681 4.787,682 4.905,683 4.99,684 4.745,685 4.402,686 0.61,687 282.41,688 3.178,689 4.779,690 5.673,691 6.611,692 7.526,693 8.465,694 9.387,695 10.326,696 11.251,697 12.191,715 2,720 4,722 6,727 1,741 43,743 9,744 1,745 23,747 45,748 19,749 6,750 4,751 2,752 4,756 3,757 6,763 4,764 1,766 1,767 3,770 3,772 10,773 9,774 1,777 3,782 2,784 1,786 3,793 22,794 2,796 2,808 0.333,809 2,829 3,833 2,841 1,849 1,850 1,859 1,864 4,868 21,876 3,880 1,882 1,893 4.7,896 2,901 11.917,902 9.167,903 4.403,904 2.965,907 1.861,908 1.263,909 0.947,910 3.165,911 8.928,912 3.401,913 4.016,914 4.642,915 5.187,916 5.746,917 6.121,918 6.502,919 6.796,920 7.067,921 6.906,922 0.8,923 41,924 7.887,926 3.496,927 0.026,929 7.726,931 15.338,933 13.426,936 2.226,937 46.75,938 0.001,940 1,941 258.964,942 97.528,945 50.29,948 97.528,949 309.254,951 35.301,952 7.604,953 28.429,954 60.557,955 15.928,957 258.964,959 258.964,960 97.528,961 50.29,964 258.964,965 50.29,968 42.904,969 45.147,970 9.476,972 258.964,973 50.29,974 97.528,977 258.964,978 33.798,979 63.73,981 50.29,982 258.964,983 50.29,984 97.528,986 0.616,987 0.373,988 0.197,989 0.108,990 20,991 10,992 0.022,993 1,994 2,995 1.286,996 3.037,997 176.327,998 0.286,999 14,1000 88.239,1005 14.257,1006 4.661,1007 2.087,1009 50.29,1010 4.179,1015 3.964,1018 406.782,1019 29,1024 24.983,1026 1.922,1028 0.03,1031 42.374,1032 47.986,1034 0.225,1035 0.548,1036 0.738,1037 0.824,1038 0.824,1039 0.824,1040 4.723,1041 1,1042 5.759,1043 3.297,1044 4.29,1045 4.7,1047 6.72,1048 4.312,1049 5.987,1050 0.319,1051 7.431,1052 2.366,1053 4.29,1054 4.796,1056 8.078,1057 4.323,1058 7.357,1059 -0.042,1060 9.211,1061 0.784,1062 6.089,1063 6.928,1065 11.173,1066 6.126,1067 8.762,1068 -0.173,1069 11.053,1070 -0.109,1071 6.836,1072 7.776,1074 13.274,1075 6.885,1076 10.198,1077 -0.656,1078 12.932,1079 -0.474,1080 8.228,1081 9.479,1083 15.984,1084 8.279,1085 11.656,1086 -0.974,1087 14.836,1088 -1.804,1089 9.267,1090 10.652,1092 18.359,1093 9.328,1094 13.13,1095 -1,1096 16.757,1097 -2,1098 10.536,1099 12.203,1101 20.955,1102 10.599,1103 3.497,1104 -1,1105 18.692,1106 -2.877,1107 11.688,1108 13.526,1110 23.437,1111 11.759,1112 3.189,1113 13.139,1114 20.638,1115 -3,1116 12.922,1117 15.02,1119 26.001,1120 12.996,1121 2.685,1122 11.357,1123 22.591,1124 4.374,1125 14.119,1126 16.414,1128 28.526,1129 14.198,1130 2.176,1131 9.255,1132 24.552,1133 3.739,1134 15.346,1135 17.888,1137 31.084,1138 15.429,1139 2.002,1140 6.565,1141 26.518,1142 3.194,1143 16.563,1144 19.317,1146 33.629,1147 16.65,1148 1.57,1149 6.535,1150 28.489,1151 2.828,1152 17.791,1153 20.785,1155 36.188,1156 17.881,1157 1.357,1158 4.257,1159 30.463,1160 2.376,1161 19.018,1162 22.233,1164 38.744,1165 19.111,1166 3538,1167 5146,1168 14.334,1169 28.284,1170 36.837,1171 38.497,1172 37.925,1173 35.669,1174 35.587,1175 43.544,1177 115.109,1178 36.035,1179 5.687,1180 5.911,1181 6.891,1182 5.5,1183 5.497,1184 7.374,1186 21.198,1187 5.508,1188 13.118,1189 1.602,1190 1.674,1191 1.649,1192 1.551,1193 1.547,1194 1.893,1196 5.005,1197 1.567,1198 4.098,1199 4.116,1200 4.055,1201 4.048,1202 7.497,1203 4.047,1204 3.808,1205 3.843,1206 3.723,1207 3.719,1208 7.352,1209 3.714,1210 3.554,1211 3.613,1212 3.407,1213 3.444,1214 4.718,1215 3.427,1216 3.358,1217 3.426,1218 3.256,1219 3.222,1220 4.329,1221 3.212,1222 3.311,1223 3.342,1224 3.13,1225 3.131,1226 4.15,1227 3.132,1228 2.99,1229 3.035,1230 2.861,1231 2.855,1232 3.856,1233 2.85,1234 2.874,1235 3.009,1236 2.604,1237 2.618,1238 3.77,1239 2.57,1240 2.874,1241 3.009,1242 2.513,1243 2.618,1244 3.467,1245 2.57,1246 0.206,1247 0.17,1248 0.324,1249 0.196,1250 0.152,1251 4.737,1252 0.19,1253 3.911,1255 7.447,1256 0.571,1257 4.5,1258 0.153,1259 3.497,1260 4.374,1262 13.139,1263 3.508,1264 2.068,1265 2.052,1266 2.169,1267 2.137,1268 1.485,1269 2.147,1270 1.808,1271 1.774,1272 1.989,1273 1.932,1274 1.223,1275 1.951,1276 1.571,1277 1.515,1278 1.806,1279 1.725,1280 0.996,1281 1.756,1282 1.381,1283 1.313,1284 1.692,1285 1.57,1286 0.929,1287 1.617,1288 1.259,1289 1.227,1290 1.431,1291 1.462,1292 0.525,1293 1.446,1294 0.978,1295 0.935,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.934,1301 0.804,1302 1.417,1303 1.239,1304 0.469,1305 1.308,1306 0.934,1307 0.804,1308 1.252,1309 1.16,1310 0.434,1311 1.186,1312 3.85,1314 5.252,1316 6.866,1318 8.581,1320 10.348,1322 8.372,1328 3.124,1332 0.085,1334 0.091,1340 26.224,1341 52.511,1342 127.864,1343 172.31,1344 192.31,1345 192.31,1346 192.31,1347 45.91,1348 7.066,1349 34.14,1350 34.14,1351 18,1352 12.689,1353 3.322,1354 2.807,1355 31.917,1356 56,1357 51,1358 0.303,1359 161.273,1360 291.02,1361 385.266,1362 9198,1364 15.361,1365 0.731,1366 0.631,1367 15.361,1368 13.247,1369 9.826,1370 0.427,1371 0.339,1372 7.769,1373 9.7,1374 7.367,1375 6.184,1376 9.826,1377 7.797,1378 9.928,1379 0.276,1380 0.2,1381 9.928,1382 7.206,1383 8.309,1384 0.166,1385 0.099,1386 8.309,1387 4.931,1388 7.039,1389 0.104,1390 0.054,1391 7.039,1392 3.696,1393 5.694,1394 0.063,1395 0.029,1396 5.694,1397 2.628,1398 0.444,1399 60.112,1400 0.264,1401 19.853,1402 0.933,1403 118,1404 275.471,1405 122.207,1406 271.812,1407 372.69,1408 252,1409 145,1410 274.273,1411 149.761,1412 284.484,1413 423.16,1414 267,1415 4}
{0 CHEMBL459258,1 1.389,2 13.515,3 5.419,4 29.366,5 126.351,6 7.215,7 0.343,8 4.226,9 4.319,10 3.729,11 3.73,12 5.405,13 3.714,14 4.74,15 4.891,16 4.101,17 4.11,18 5.845,19 4.081,20 5.002,21 5.141,22 4.301,23 4.283,24 6.284,25 4.252,26 5.189,27 5.379,28 4.29,29 4.321,30 6.472,31 4.261,32 5.197,33 5.417,34 4.173,35 4.294,36 6.327,37 4.214,38 5.101,39 5.301,40 4.177,41 4.224,42 6.333,43 4.164,44 5.063,45 5.238,46 4.072,47 4.167,48 6.37,49 4.102,50 5.072,51 5.316,52 3.928,53 4.075,54 6.226,55 3.981,56 0.127,57 0.785,58 13.647,59 6.533,60 25.563,61 7.797,62 0.244,63 1.252,64 24.442,65 10.517,66 37.907,67 13.175,68 0.602,69 1.571,70 32.399,71 13.097,72 87.22,73 16.332,74 1.033,75 1.785,76 41.845,77 15.025,78 147.359,79 19.606,80 0.878,81 1.782,82 43.099,83 15.117,84 129.936,85 20.097,86 0.85,87 1.626,88 38.601,89 13.696,90 129.75,91 17.917,92 0.957,93 1.543,94 37.127,95 12.843,96 146.84,97 16.221,98 0.763,99 1.522,100 39.099,101 12.946,102 129.22,103 17.565,104 92,105 50,106 0.224,107 0.576,108 0.785,109 0.845,110 0.878,111 0.878,112 3.532,113 0.922,114 -3.47,115 -3.44,116 -3.29,121 41.3,122 3,123 3,126 1,129 2,137 2,138 2,144 4,145 3,146 5,159 1,176 13,180 5,185 5,187 16,192 4,195 3,197 6,200 12,205 1,206 6,209 3,210 1,211 7,214 12,218 1,219 4,223 1,224 5,227 12,232 3,235 3,237 7,239 13,243 1,244 4,248 2,249 7,251 8,256 4,259 1,261 7,264 8,269 3,272 2,274 4,277 6,281 1968,282 21.491,283 21.491,284 21.491,285 21.491,286 21.491,287 19.088,288 30.041,289 12.341,290 21.858,291 17.102,292 17.102,293 17.102,294 17.102,295 17.102,296 13.507,297 37.435,298 5.729,299 17.675,300 4.588,301 2.398,302 1.104,303 0.731,304 0.524,305 0.524,306 4.206,311 1,312 1,313 923,314 4.183,318 297.706,322 158.552,325 2.531,326 55.695,329 1,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.98,337 73,338 446,339 4.644,340 3.9,341 7.005,342 4.314,343 3.338,344 4.339,345 1.489,346 11.838,347 3.258,348 4.302,349 3.297,350 6.52,351 3.959,352 2.991,353 3.921,354 1.151,355 10.127,356 2.891,357 4.05,358 3.226,359 6.113,360 3.719,361 2.759,362 3.399,363 0.86,364 8.769,365 2.653,366 3.767,367 3.006,368 5.946,369 3.423,370 2.439,371 3.029,372 0.68,373 8.135,374 2.396,375 3.684,376 2.83,377 5.478,378 3.342,379 2.352,380 2.972,381 0.68,382 6.756,383 2.309,384 3.619,385 2.646,386 5.146,387 3.179,388 2.185,389 2.864,390 0.68,391 6.075,392 2.174,393 3.438,394 2.561,395 5.034,396 3.076,397 2.12,398 2.702,400 5.739,401 2.011,402 3.227,403 2.282,404 4.642,405 2.855,406 1.903,407 2.411,409 5.134,410 1.798,411 2.886,412 1.996,413 4.54,414 2.466,415 1.533,416 2.023,418 4.068,419 1.422,420 2.695,421 1.969,422 4.204,423 2.354,424 1.399,425 1.694,427 3.827,428 1.318,429 2.249,430 1.724,431 3.725,432 2.148,433 1.156,434 1.219,436 2.604,437 1.143,438 1.928,439 1.438,440 3.432,441 1.807,442 0.829,443 0.871,445 1.879,446 0.806,447 1.747,448 1.257,449 3.24,450 1.435,451 0.543,452 0.63,454 1.079,455 0.478,456 1.606,457 0.941,458 2.99,459 1.299,460 0.39,461 0.443,463 0.819,464 0.347,465 1.344,466 0.634,467 2.872,468 1.05,469 0.077,470 0.09,472 0.192,473 0.074,474 15.333,475 0.465,476 1.039,477 0.031,478 37.75,479 1.144,480 18,481 0.545,482 19.75,483 0.598,484 34.015,485 1.031,486 37.467,487 0.595,488 33.863,489 1.026,490 7.528,491 0.228,492 8.105,493 0.246,494 0.239,496 0.424,501 0.927,502 1.094,503 0.871,504 1.074,505 0.931,506 0.978,507 0.856,508 1.044,509 0.772,510 1.018,511 0.676,512 0.899,513 0.907,514 1.259,515 0.953,516 1.241,517 0.891,518 1.13,519 0.891,520 1.068,521 0.933,522 1.062,523 0.886,524 1.016,525 0.975,526 0.929,527 0.921,528 0.925,529 1.034,530 0.913,531 0.97,532 0.997,533 0.909,534 0.986,535 1.079,536 0.942,537 1.282,538 1.11,539 1.218,540 1.112,541 1.325,542 1.144,543 1.031,544 0.893,545 0.903,546 0.884,547 1.094,548 0.867,549 7.5,550 0.194,551 4.667,552 3.063,553 2.724,554 1.667,555 1.094,556 0.722,557 0.46,558 0.404,559 14311,560 38860,561 1.942,562 47.6,563 15,564 11,567 4,572 1.752,573 1.752,574 3.659,575 1.513,582 87.499,583 1.389,584 3.579,585 4.873,586 5.247,587 5.453,588 5.453,589 3.283,590 4.741,591 5.003,592 3.884,593 2050.63,594 8.77,595 30623.9,600 376.569,601 1.569,602 4.932,603 0.214,604 0.007,605 0.093,606 0.054,607 0.05,608 0.034,609 0.022,610 0.017,611 0.012,612 0.013,613 0.517,614 0.17,615 1,616 1.826,617 175.79,618 -0.106,619 0.074,620 -0.006,621 0.076,622 -0.15,623 0.061,624 -0.038,625 0.048,626 0.134,627 0.067,628 -0.007,629 0.128,630 0.098,631 -0.185,632 -0.015,633 -0.182,634 0.06,635 -0.134,636 0.161,637 -0.068,638 0.053,639 -0.068,640 0.159,641 -0.038,642 0.007,643 0.045,644 0.069,645 0.052,646 -0.023,647 0.071,648 0.072,649 -0.006,650 0.081,651 0.001,652 0.044,653 0.036,654 -0.052,655 -0.112,656 -0.209,657 -0.131,658 -0.038,659 -0.193,660 -0.023,661 0.045,662 0.111,663 0.06,664 0.014,665 0.107,666 2.92,667 5.975,668 0.485,669 43.438,670 1.009,671 1.122,672 2.235,673 4.996,674 0.644,675 3.584,676 3.932,677 4.205,678 4.454,679 4.71,680 4.883,681 4.997,682 5.136,683 5.263,684 5.328,685 7.772,686 0.618,687 454.56,688 3.584,689 5.142,690 5.999,691 6.891,692 7.773,693 8.675,694 9.57,695 10.48,696 11.384,697 12.299,715 4,720 8,722 12,727 1,738 3,739 2,741 63,743 15,744 2,745 35,747 65,748 26,749 12,750 8,751 4,752 1,756 3,757 4,763 3,767 2,770 5,772 17,773 9,777 3,782 1,784 2,786 3,793 30,794 7,795 4,796 7,808 0.667,809 7,811 1,829 3,833 1,849 2,850 2,857 1,859 2,864 4,868 33,875 4,876 3,878 2,880 2,893 11.1,894 1,895 3,896 1,898 2,901 18.833,902 12.217,903 7.333,904 3.578,907 2.768,908 1.356,909 0.877,910 7.976,911 10.538,912 3.807,913 4.407,914 4.92,915 5.429,916 5.957,917 6.259,918 6.529,919 6.883,920 7.244,921 7.557,922 1,923 57,924 12.409,926 5.465,927 0.026,929 8.03,931 22.853,933 18.567,936 2.53,937 83.5,941 306.049,942 133.368,945 217.878,948 133.368,949 523.927,951 37.359,952 7.604,953 99.541,954 158.328,955 48.415,957 306.049,959 306.049,960 133.368,961 217.878,964 306.049,965 175.195,966 42.683,968 34.079,969 80.336,970 18.952,972 306.049,973 217.878,974 133.368,977 306.049,978 39.152,979 94.216,981 217.878,982 306.049,983 217.878,984 133.368,986 0.589,987 0.345,988 0.176,989 0.095,990 22,991 13,992 0.108,993 7,994 1,995 1.125,996 4.175,997 300.789,998 0.125,999 16,1000 164.465,1005 24.995,1006 10.53,1007 5.476,1009 217.878,1010 5.61,1015 -0.122,1017 170.733,1018 657.295,1019 44,1024 12.975,1026 4.04,1028 1.623,1031 63.545,1032 70.694,1034 0.232,1035 0.599,1036 0.815,1037 0.878,1038 0.912,1039 0.912,1040 5.075,1041 1.903,1042 6.019,1043 5.739,1044 4.615,1045 5.094,1046 2.513,1047 6.872,1048 4.551,1049 6.305,1050 1.533,1051 7.617,1052 5.134,1053 4.369,1054 5.056,1056 7.883,1057 4.274,1058 7.635,1059 1.399,1060 9.316,1061 4.068,1062 6.256,1063 7.271,1064 2.816,1065 11.007,1066 6.142,1067 8.996,1068 1.156,1069 11.071,1070 3.827,1071 6.781,1072 7.987,1074 12.818,1075 6.63,1076 10.385,1077 0.829,1078 12.862,1079 2.604,1080 8.192,1081 9.74,1082 3.362,1083 15.503,1084 8.027,1085 11.793,1086 0.543,1087 14.679,1088 1.879,1089 9.066,1090 10.811,1092 17.661,1093 8.864,1094 13.217,1095 0.39,1096 16.515,1097 1.079,1098 10.31,1099 12.386,1100 4.031,1101 20.194,1102 10.091,1103 3.338,1104 0.077,1105 18.366,1106 0.819,1107 11.346,1108 13.638,1110 22.511,1111 11.095,1112 2.991,1113 11.838,1114 20.229,1115 0.192,1116 12.535,1117 15.14,1118 4.76,1119 24.99,1120 12.264,1121 2.759,1122 10.127,1123 22.103,1124 4.339,1125 13.647,1126 16.487,1128 27.381,1129 13.348,1130 2.439,1131 8.769,1132 23.985,1133 3.921,1134 14.822,1135 17.957,1136 5.52,1137 29.843,1138 14.501,1139 2.352,1140 8.135,1141 25.874,1142 3.399,1143 15.972,1144 19.354,1146 32.27,1147 15.625,1148 2.185,1149 6.756,1150 27.77,1151 3.029,1152 17.147,1153 20.812,1154 6.295,1155 34.728,1156 16.778,1157 2.12,1158 6.075,1159 29.67,1160 2.972,1161 18.316,1162 22.236,1164 37.173,1165 17.922,1166 14376,1167 24007,1168 21.907,1169 40.602,1170 52.656,1171 54.319,1172 56.06,1173 52.051,1174 52.027,1175 65.213,1176 11.079,1177 154.081,1178 50.159,1179 5.59,1180 5.9,1181 6.565,1182 5.414,1183 5.338,1184 7.339,1185 2.978,1186 19.559,1187 5.258,1188 23.142,1189 1.504,1190 1.552,1191 1.602,1192 1.487,1193 1.486,1194 1.863,1195 0.317,1196 4.402,1197 1.433,1198 4.051,1199 4.056,1200 4.016,1201 3.958,1202 7.428,1203 3.969,1204 3.893,1205 3.908,1206 3.847,1207 3.82,1208 6.49,1209 3.823,1210 3.804,1211 3.845,1212 3.694,1213 3.715,1214 6.469,1215 3.705,1216 3.633,1217 3.677,1218 3.529,1219 3.529,1220 6.446,1221 3.52,1222 3.501,1223 3.522,1224 3.411,1225 3.338,1226 6.442,1227 3.355,1228 3.248,1229 3.309,1230 3.102,1231 3.027,1232 4.8,1233 3.01,1234 3.18,1235 3.26,1236 3.013,1237 2.975,1238 4.647,1239 2.989,1240 3.089,1241 3.126,1242 2.961,1243 2.875,1244 4.493,1245 2.894,1246 0.133,1247 0.111,1248 0.2,1249 0.123,1250 0.095,1251 4.644,1252 0.124,1253 3.9,1254 0.043,1255 7.005,1256 0.338,1257 4.314,1258 0.093,1259 3.338,1260 4.339,1261 1.489,1262 11.838,1263 3.258,1264 1.973,1265 1.967,1266 2.058,1267 2.086,1268 1.292,1269 2.07,1270 1.876,1271 1.858,1272 2.013,1273 1.977,1274 1.225,1275 1.988,1276 1.802,1277 1.763,1278 1.943,1279 1.922,1280 1.119,1281 1.932,1282 1.639,1283 1.595,1284 1.843,1285 1.783,1286 0.974,1287 1.807,1288 1.438,1289 1.417,1290 1.623,1291 1.647,1292 0.824,1293 1.634,1294 1.212,1295 1.138,1296 1.566,1297 1.501,1298 0.698,1299 1.52,1300 1.186,1301 1.115,1302 1.531,1303 1.421,1304 0.576,1305 1.466,1306 1.058,1307 0.98,1308 1.417,1309 1.299,1310 0.553,1311 1.337,1312 4.263,1314 5.602,1316 7.138,1318 8.776,1320 10.475,1322 7.434,1327 41.759,1328 1.971,1330 10.891,1332 -2.683,1340 38.906,1341 87.499,1342 225.501,1343 307.02,1344 330.53,1345 343.549,1346 343.549,1347 116.036,1348 7.771,1349 116.45,1350 116.45,1351 18,1352 12.813,1353 4,1354 3.322,1355 64.408,1356 152,1357 180,1358 0.211,1359 239.618,1360 437.25,1361 576.429,1362 24207,1364 24.284,1365 0.736,1366 0.583,1367 24.284,1368 19.254,1369 15.633,1370 0.447,1371 0.307,1372 10.614,1373 15.043,1374 10.206,1375 8.528,1376 15.633,1377 10.762,1378 14.417,1379 0.288,1380 0.169,1381 14.417,1382 8.45,1383 11.923,1384 0.181,1385 0.086,1386 11.923,1387 5.68,1388 9.583,1389 0.113,1390 0.044,1391 9.583,1392 3.78,1393 7.351,1394 0.067,1395 0.023,1396 7.351,1397 2.525,1398 0.334,1399 98.617,1400 0.214,1401 30.825,1402 0.572,1403 170,1404 539.805,1405 187.605,1406 509.603,1407 674.62,1408 472,1409 201,1410 474.909,1411 220.268,1412 481.182,1413 706.46,1414 449,1415 4.24}
{0 CHEMBL459683,1 1.979,2 6.368,3 2.505,4 6.276,5 75.163,6 11.441,7 0.286,8 3.546,9 3.612,10 3.65,11 3.221,12 4.606,13 3.166,14 4.137,15 4.254,16 4.071,17 3.645,18 5.527,19 3.576,20 4.386,21 4.547,22 4.157,23 3.76,24 5.577,25 3.68,26 4.407,27 4.546,28 4.106,29 3.625,30 6.037,31 3.57,32 4.222,33 4.349,34 4.018,35 3.463,36 5.682,37 3.391,38 3.935,39 4.048,40 4.059,41 3.24,42 5.485,43 3.188,44 3.637,45 3.856,46 3.117,47 2.964,48 4.557,49 2.77,50 3.463,51 3.717,52 2.993,53 2.795,54 4.142,55 2.46,56 0.103,57 0.457,58 2.559,59 3.086,60 20.408,61 2.856,62 0.398,63 0.773,64 6.306,65 5.337,66 48.561,67 5.699,68 0.388,69 0.953,70 22.043,71 8.254,72 61.516,73 8.179,74 0.796,75 0.927,76 25.403,77 8.04,78 137.179,79 6.587,80 0.641,81 0.702,82 29.033,83 7.165,84 105.809,85 4.535,86 0.497,87 0.512,88 12.862,89 4.818,90 68.45,91 3.203,92 0.218,93 0.411,94 6.044,95 3.593,96 29.643,97 4.126,98 0.166,99 0.305,100 27.04,101 4.604,102 16.3,103 5.184,104 17,105 32,106 0.374,107 0.679,108 0.772,109 0.84,110 0.865,111 0.865,112 3.013,113 1.17,114 -3.28,115 -3.26,116 -3.13,120 1,121 40,123 4,138 1,140 1,144 3,149 2,160 1,176 6,179 5,180 6,187 6,192 9,200 3,205 5,206 14,214 2,219 8,227 3,232 8,239 6,251 6,264 4,281 389,282 12.463,283 12.463,284 12.463,285 12.463,286 12.463,287 11.095,288 15.485,289 7.121,290 12.872,291 10.345,292 10.345,293 10.345,294 10.345,295 10.345,296 8.095,297 19.172,298 3.345,299 11.095,300 2.928,301 1.317,302 0.825,303 0.467,304 0.333,305 0.333,306 3.681,310 1,311 1,312 1,313 259,314 2.449,317 33.743,318 94.786,321 66.755,325 0.953,326 35.389,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 41.75,338 121,339 5.068,340 4.829,341 7.887,342 4.621,343 3.685,344 4.85,345 1.416,346 14.74,347 3.432,348 4.059,349 3.55,350 6.254,351 3.587,352 2.669,353 3.656,354 1.058,355 8.899,356 2.505,357 3.922,358 2.975,359 6.096,360 3.462,361 2.468,362 3.295,364 8.403,365 2.375,366 3.494,367 2.656,368 5.275,369 3.08,370 2.181,371 2.723,373 6.322,374 1.943,375 3.052,376 2.207,377 4.697,378 2.643,379 1.696,380 2.165,382 4.684,383 1.521,384 2.659,385 1.594,386 3.857,387 2.26,388 1.288,389 1.723,391 2.908,392 1.219,393 2.429,394 1.402,395 3.719,396 2.12,397 1.149,398 1.383,400 2.667,401 1.086,402 2.134,403 1.247,404 3.483,405 2.006,406 1,407 1.081,409 2.481,410 1.001,411 1.567,412 0.802,413 3.303,414 1.077,415 0.062,416 0.085,418 0.176,419 0.063,420 1,421 0.183,422 2.803,423 0.437,424 -0.415,425 -0.518,427 -0.935,428 -0.21,429 0.917,430 0.147,431 2.442,432 0.345,433 -0.559,434 -0.618,436 -1.384,437 -0.538,438 0.646,439 -0.371,440 2.187,441 0.11,442 -0.88,443 -0.99,445 -2.151,446 -0.844,447 0.575,448 -0.714,449 2,450 0.079,451 -0.896,452 -1.263,454 -2.441,455 -0.892,456 0.305,457 -0.928,458 2,460 -1,461 -1.817,463 -3,464 -1,465 -0.074,466 -1,467 2,468 -0.485,469 -1.368,470 -1.829,472 -3.407,473 -1.064,474 9.967,475 0.525,476 0.657,477 0.035,478 24.75,479 1.303,480 12.5,481 0.658,482 12.25,483 0.645,484 15.919,485 0.838,486 20.033,487 0.668,488 15.586,489 0.82,490 4.098,491 0.216,492 4.917,493 0.259,494 0.234,495 0.084,496 0.291,501 0.45,502 1.381,503 0.512,504 1.043,505 0.574,506 0.846,507 0.396,508 1.048,509 0.521,510 0.786,511 0.488,512 0.861,513 0.816,514 1.19,515 0.673,516 0.999,517 0.821,518 0.879,519 1.235,520 1.057,521 0.795,522 1.036,523 1.202,524 0.93,525 2.122,526 0.809,527 0.827,528 0.807,529 2.18,530 0.882,531 1.617,532 0.884,533 1.35,534 1.048,535 1.731,536 1.046,537 0.71,538 0.825,539 0.782,540 0.748,541 0.607,542 1.198,543 0.35,544 0.938,545 2.557,546 1.526,547 0.134,548 1.57,549 4.5,551 3.111,552 3.333,553 1.312,554 0.74,555 0.303,556 0.087,557 0.041,559 2752,560 9993,561 2.038,562 36.7,563 6,564 3,569 2,572 1.612,573 1.854,574 2.698,575 -0.621,577 1,579 1,582 59.379,583 1.979,584 3.59,585 4.082,586 4.44,587 4.574,588 4.574,589 2.121,590 4.037,591 4.222,592 2.799,593 478.56,594 7.234,595 4499.56,596 1,597 1,599 1,600 147.207,601 1.747,602 4.142,603 0.214,605 0.097,606 0.098,607 0.042,608 0.032,609 0.017,610 0.011,611 0.01,613 0.522,614 0.5,615 1,616 0.697,617 79.104,618 0.096,619 -0.252,620 0.035,621 -0.131,622 -0.076,623 -0.006,624 0.353,625 0.02,626 0.052,627 0.03,628 0.209,629 -0.008,630 0.007,631 -0.191,632 0.029,633 -0.054,634 -0.016,635 0.095,636 0.058,637 -0.005,638 -0.063,639 -0.057,640 0.172,641 -0.038,642 -0.6,643 0.148,644 -0.026,645 0.158,646 -0.452,647 -0.005,648 -0.26,649 0.029,650 0.021,651 -0.082,652 -0.266,653 -0.165,654 -0.094,655 0.06,656 0.02,657 0.043,658 -0.096,659 -0.176,660 0.11,661 -0.207,662 -0.294,663 -0.269,664 0.092,665 -0.264,666 4.644,667 5.441,668 0.789,669 10.083,670 1.03,671 1.115,672 2.046,673 4.185,674 0.739,675 3.091,676 3.497,677 3.829,678 4.174,679 4.357,680 4.369,681 4.431,682 4.477,683 4.317,684 4.094,685 4.062,686 0.701,687 343.22,688 3.091,689 4.673,690 5.565,691 6.503,692 7.419,693 8.366,694 9.292,695 10.242,696 11.174,697 12.126,698 6.7,705 1,708 1,715 3,716 1,720 2,722 6,740 1,741 30,743 10,745 21,746 1,747 32,748 12,749 5,752 3,756 3,757 4,767 4,770 4,772 8,773 4,777 4,780 1,782 3,786 3,789 1,790 1,793 11,794 5,796 7,797 2,802 2,808 0.667,809 3,822 1,828 1,829 2,832 1,849 1,850 1,859 2,862 1,863 1,868 19,872 1,876 4,881 1,892 1,893 10,896 3,901 10.25,902 5.46,903 4.028,904 1.922,907 1.582,908 1.238,909 1.018,910 3.084,911 8.227,912 3.367,913 4.016,914 4.535,915 5.095,916 5.496,917 5.563,918 5.813,919 6.122,920 6.141,921 6.171,922 1,923 34,924 7.356,926 3.586,927 0.026,929 8.132,931 13.326,933 11.647,936 2.632,937 50,938 0.001,941 129.482,942 58.769,943 64.258,945 69.458,947 5.807,948 98.916,949 198.94,950 18.304,952 11.657,953 34.236,954 92.499,955 3.186,956 4.954,957 175.436,959 129.482,960 71.266,961 69.458,962 5.807,963 45.954,964 105.94,965 93,968 11.657,969 41.273,970 24.144,971 45.954,972 129.482,973 87.762,974 104.724,976 5.807,977 129.482,978 24.533,979 29.947,980 45.954,981 86.243,982 129.482,983 87.762,984 104.724,986 0.602,987 0.366,988 0.213,989 0.114,990 18,991 8,992 0.031,993 1,994 1,995 1.133,996 2.958,997 151.603,998 0.133,999 15,1000 78.711,1004 1,1005 12.98,1006 4.515,1007 1.968,1009 87.762,1010 4.87,1011 4.075,1015 0.645,1018 321.968,1019 28,1022 -3.727,1024 37.183,1028 0.277,1031 30.909,1032 33.462,1034 0.403,1035 0.732,1036 0.832,1037 0.905,1038 0.932,1039 0.932,1040 4.659,1041 1,1042 5.631,1043 2.667,1044 4.174,1045 4.7,1046 1.981,1047 6.603,1048 4.049,1049 5.93,1050 0.062,1051 7.3,1052 2.481,1053 4.111,1054 4.956,1056 8.034,1057 3.863,1058 7.327,1059 -0.415,1060 9.094,1061 0.176,1062 5.964,1063 7.068,1064 2.447,1065 11.204,1066 5.707,1067 8.769,1068 -0.559,1069 10.964,1070 -0.935,1071 6.723,1072 8.121,1074 13.477,1075 6.353,1076 10.253,1077 -0.88,1078 12.885,1079 -1.384,1080 8.163,1081 9.837,1082 2.993,1083 16.291,1084 7.762,1085 11.766,1086 -0.896,1087 14.84,1088 -2.151,1089 9.261,1090 11.204,1092 18.849,1093 8.762,1094 13.303,1095 -1,1096 16.82,1097 -2.441,1098 10.586,1099 12.811,1100 3.598,1101 21.573,1102 10.035,1103 3.685,1104 -1.368,1105 18.82,1106 -3,1107 11.813,1108 14.301,1110 24.222,1111 11.176,1112 2.669,1113 14.74,1114 20.834,1115 -3.407,1116 13.113,1117 15.88,1118 4.241,1119 26.921,1120 12.412,1121 2.468,1122 8.899,1123 22.86,1124 4.85,1125 14.387,1126 17.42,1128 29.599,1129 13.608,1130 2.181,1131 8.403,1132 24.894,1133 3.656,1134 15.685,1135 18.994,1136 4.907,1137 32.292,1138 14.837,1139 1.696,1140 6.322,1141 26.935,1142 3.295,1143 16.977,1144 20.555,1146 34.978,1147 16.054,1148 1.288,1149 4.684,1150 28.981,1151 2.723,1152 18.276,1153 22.129,1154 5.587,1155 37.669,1156 17.283,1157 1.149,1158 2.908,1159 31.031,1160 2.165,1161 19.575,1162 23.7,1164 40.359,1165 18.51,1166 2754,1167 5393,1168 13.523,1169 22.182,1170 32.771,1171 34.816,1172 34.288,1173 32.738,1174 32.398,1175 41.923,1176 4.949,1177 102.559,1178 30.288,1179 6.023,1180 6.829,1181 7.564,1182 5.692,1183 5.685,1184 7.85,1185 2.833,1186 23.267,1187 5.432,1188 9.63,1189 1.561,1190 1.658,1191 1.633,1192 1.559,1193 1.543,1194 1.996,1195 0.236,1196 4.884,1197 1.442,1198 4.15,1199 4.133,1200 6.88,1201 4.117,1202 7.717,1203 4.036,1204 3.812,1205 3.848,1206 4.764,1207 3.74,1208 7.426,1209 3.726,1210 3.585,1211 3.598,1212 3.68,1213 3.485,1214 6.999,1215 3.417,1216 3.183,1217 3.199,1218 3.615,1219 3.001,1220 4.871,1221 2.993,1222 2.922,1223 2.95,1224 3.172,1225 2.863,1226 4.301,1227 2.784,1228 2.854,1229 2.893,1230 2.724,1231 2.712,1232 3.86,1233 2.685,1234 2.75,1235 2.819,1236 2.677,1237 2.581,1238 3.791,1239 2.579,1240 2.53,1241 2.59,1242 2.423,1243 2.261,1244 3.483,1245 2.285,1246 0.241,1247 0.23,1248 0.376,1249 0.22,1250 0.175,1251 5.068,1252 0.231,1253 4.829,1254 0.067,1255 7.887,1256 0.702,1257 4.621,1258 0.163,1259 3.685,1260 4.85,1261 1.416,1262 14.74,1263 3.432,1264 1.902,1265 1.899,1266 2.04,1267 1.995,1268 1.419,1269 2.035,1270 1.825,1271 1.793,1272 1.882,1273 1.957,1274 0.981,1275 1.954,1276 1.479,1277 1.513,1278 1.454,1279 1.625,1280 0.8,1281 1.668,1282 1.206,1283 1.176,1284 1.326,1285 1.399,1286 0.691,1287 1.398,1288 1.013,1289 0.929,1290 1.143,1291 1.252,1292 0.429,1293 1.291,1294 0.79,1295 0.762,1296 0.9,1297 0.912,1298 0.082,1299 0.958,1300 0.588,1301 0.536,1302 0.699,1303 0.845,1305 0.85,1306 0.398,1307 0.342,1308 0.671,1309 0.761,1311 0.758,1312 3.761,1314 5.142,1315 2.398,1316 6.735,1317 5.043,1318 8.424,1319 7.38,1320 10.165,1321 3.186,1328 2.663,1333 0.827,1340 21.034,1341 59.379,1342 107.697,1343 122.452,1344 133.207,1345 137.207,1346 137.207,1347 43.618,1348 6.645,1349 67.34,1350 75.72,1351 17,1352 12.617,1353 3.459,1354 3,1355 27.512,1356 45,1357 44,1358 0.315,1359 137.683,1360 241.14,1361 327.708,1362 5435,1363 3.3,1364 13.621,1365 0.717,1366 0.651,1367 14.871,1368 12.368,1369 9.015,1370 0.429,1371 0.39,1372 6.056,1373 7.412,1374 5.795,1375 4.738,1376 10.381,1377 8.192,1378 8.793,1379 0.275,1380 0.223,1381 10.872,1382 7.123,1383 7.361,1384 0.164,1385 0.126,1386 9.221,1387 5.669,1388 6.748,1389 0.105,1390 0.072,1391 8.789,1392 4.602,1393 5.125,1394 0.067,1395 0.044,1396 6.783,1397 3.364,1398 0.456,1399 72.811,1400 0.272,1401 18.195,1402 0.991,1403 106,1404 362.012,1405 225.353,1406 401.371,1407 529.06,1408 366,1409 130,1410 333.629,1411 223.606,1412 383.579,1413 573.4,1414 360,1415 4}
{0 CHEMBL459684,1 2.074,2 7.05,3 1.934,4 3.739,5 67.131,6 10.01,7 0.273,8 3.569,9 3.634,10 3.553,11 3.16,12 4.781,13 3.155,14 4.161,15 4.278,16 3.919,17 3.579,18 5.68,19 3.568,20 4.43,21 4.586,22 4.074,23 3.675,24 5.873,25 3.67,26 4.438,27 4.576,28 4.042,29 3.54,30 6.232,31 3.566,32 4.271,33 4.39,34 3.733,35 3.316,36 6.184,37 3.373,38 3.949,39 4.086,40 3.298,41 3.03,42 5.43,43 3.072,44 3.773,45 3.948,46 3.087,47 2.787,48 5.734,49 2.813,50 3.513,51 3.797,52 2.092,53 2.431,54 4.592,55 2.277,56 0.199,57 0.622,58 4.856,59 3.21,60 47.619,61 2.682,62 0.569,63 1.017,64 8.333,65 5.547,66 96.186,67 5.296,68 0.86,69 1.233,70 18.886,71 7.562,72 155.694,73 7.275,74 1.14,75 1.202,76 21.612,77 7.19,78 230.549,79 5.829,80 1.17,81 0.862,82 17.826,83 5.782,84 233.238,85 4.027,86 0.659,87 0.698,88 9.311,89 3.836,90 133.587,91 2.693,92 0.768,93 0.724,94 7.023,95 3.375,96 147.998,97 2.929,98 0.445,99 0.441,100 9.038,101 3.183,102 74.652,103 3.88,104 26,105 34,106 0.392,107 0.701,108 0.79,109 0.84,110 0.865,111 0.865,112 3.061,113 1.022,114 -3.41,115 -3.39,116 -3.24,121 40,123 4,138 1,140 1,144 1,146 2,147 1,149 1,160 1,176 4,179 5,180 2,187 4,192 9,200 2,205 5,206 9,219 8,227 1,232 2,239 2,251 2,281 450,282 12.963,283 12.963,284 12.963,285 12.963,286 12.963,287 11.542,288 15.425,289 7.294,290 13.298,291 10.812,292 10.812,293 10.812,294 10.812,295 10.812,296 8.482,297 16.398,298 3.413,299 11.423,300 2.833,301 1.2,302 0.733,303 0.467,304 0.333,305 0.333,306 3.727,311 1,312 1,313 301,314 2.55,317 36.204,318 102.104,321 71.71,325 0.87,326 53.62,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 47,338 141,339 5.073,340 4.83,341 7.895,342 4.628,343 3.692,344 4.853,345 1.416,346 14.786,347 3.438,348 4.23,349 3.566,350 6.439,351 3.77,352 2.839,353 3.876,354 1.058,355 9.614,356 2.636,357 3.922,358 3.202,359 6.098,360 3.469,361 2.469,362 3.295,364 8.422,365 2.444,366 3.559,367 2.746,368 5.613,369 3.173,370 2.236,371 2.852,373 6.822,374 2.082,375 3.213,376 2.495,377 4.926,378 2.836,379 1.884,380 2.342,382 5.402,383 1.769,384 2.805,385 1.967,386 4.214,387 2.388,388 1.446,389 1.907,391 3.625,392 1.35,393 2.436,394 1.557,395 3.846,396 2.192,397 1.229,398 1.396,400 2.881,401 1.175,402 2.14,403 1.354,404 3.711,405 2.018,406 1.017,407 1.09,409 2.593,410 1.013,411 1.777,412 0.985,413 3.341,414 1.294,415 0.336,416 0.44,418 0.841,419 0.313,420 1,421 0.395,422 2.848,423 0.534,424 -0.389,425 -0.491,427 -1.044,428 -0.353,429 1,430 0.235,431 2.583,432 0.437,433 -0.515,434 -0.621,436 -1.243,437 -0.426,438 0.793,439 0.072,440 2.359,441 0.352,442 -0.564,443 -0.635,445 -1.385,446 -0.545,447 0.644,448 -0.416,449 2.225,450 0.11,451 -0.886,452 -1.015,454 -2.151,455 -0.882,456 0.305,457 -0.859,458 2,460 -1,461 -1.572,463 -3,464 -1,465 0.096,466 -0.945,467 2,468 -0.307,469 -1.196,470 -1.829,472 -3.283,473 -1.085,474 9.205,475 0.46,476 0.746,477 0.037,478 25.75,479 1.288,480 12.5,481 0.625,482 13.25,483 0.663,484 15.069,485 0.753,486 22.595,487 0.753,488 19.469,489 0.973,490 4.702,491 0.235,492 4.724,493 0.236,494 0.171,495 0.091,496 0.369,499 2,501 0.495,502 1.084,503 0.712,504 1.295,505 0.56,506 0.932,507 0.513,508 0.91,509 0.661,510 0.903,511 0.525,512 0.907,513 0.784,514 0.923,515 0.896,516 1.136,517 0.844,518 0.951,519 0.899,520 0.851,521 1.166,522 1.128,523 0.92,524 0.934,525 1.296,526 0.804,527 1.355,528 0.99,529 1.329,530 0.933,531 1.393,532 0.956,533 1.018,534 0.856,535 1.492,536 1.092,537 1.168,538 1.479,539 0.983,540 0.936,541 0.988,542 1.304,543 0.945,544 1.101,545 0.916,546 0.923,547 0.85,548 1.333,549 5,551 3.556,552 3.521,553 1.743,554 0.834,555 0.389,556 0.188,557 0.059,558 0.025,559 3113,560 12906,561 2.007,562 33.3,563 6,564 1,566 1,569 2,572 1.627,573 1.805,574 2.779,575 -0.59,577 1,578 1,579 1,582 62.213,583 2.074,584 3.707,585 4.174,586 4.44,587 4.574,588 4.574,589 2.146,590 4.022,591 4.295,592 2.871,593 545.493,594 7.382,595 5277.9,597 1,599 1,600 147.207,601 1.776,602 4.203,603 0.227,605 0.105,606 0.095,607 0.051,608 0.031,609 0.023,610 0.014,611 0.015,612 0.012,613 0.574,614 0.5,615 1,616 0.716,617 85.02,618 0.037,619 -0.138,620 0.194,621 -0.136,622 -0.033,623 -0.004,624 0.145,625 -0.046,626 0.14,627 0.051,628 0.122,629 0.018,630 0.038,631 -0.01,632 0.156,633 -0.083,634 -0.031,635 0.067,636 0.059,637 -0.035,638 -0.022,639 -0.07,640 0.101,641 0.008,642 -0.119,643 0.079,644 -0.319,645 0.003,646 -0.041,647 -0.047,648 -0.398,649 -0.178,650 -0.272,651 -0.074,652 -0.425,653 -0.218,654 0.14,655 -0.038,656 -0.245,657 -0.143,658 0.209,659 -0.41,660 -0.014,661 -0.111,662 0.046,663 -0.093,664 -0.059,665 -0.116,666 5.004,667 5.717,668 0.75,669 11.1,670 1.057,671 1.143,672 2.181,673 4.756,674 0.69,675 3.135,676 3.555,677 3.892,678 4.234,679 4.443,680 4.431,681 4.554,682 4.543,683 4.443,684 4.277,685 4.216,686 0.692,687 300.31,688 3.135,689 4.727,690 5.624,691 6.567,692 7.488,693 8.436,694 9.369,695 10.319,696 11.257,697 12.208,698 6.7,705 1,708 1,715 2,716 1,720 3,722 6,740 2,741 30,743 10,745 22,747 32,748 12,749 5,752 3,756 3,757 4,767 4,770 4,772 8,773 4,777 4,780 1,782 3,786 3,789 1,790 1,791 2,793 10,794 7,796 8,797 1,802 2,808 0.667,809 3,822 1,828 1,829 2,832 1,849 1,850 1,859 2,862 1,866 2,868 20,872 1,876 4,881 1,892 2,893 10,896 3,901 11.083,902 5.519,903 4.222,904 1.898,907 1.621,908 1.24,909 1.015,910 2.963,911 8.377,912 3.401,913 4.069,914 4.598,915 5.153,916 5.592,917 5.636,918 5.96,919 6.164,920 6.275,921 6.381,922 0.8,923 37,924 7.916,926 4.109,927 0.026,929 8.646,931 13.498,933 11.837,936 3.146,937 62.917,941 117.711,942 64.48,943 18.304,945 69.458,946 29.92,947 5.807,948 58.673,949 187.169,950 48.224,952 11.657,953 15.284,954 104.27,955 30.475,956 32.248,957 105.94,959 117.711,960 76.977,961 99.378,962 5.807,964 124.089,965 93,968 20.704,969 37.936,970 24.144,972 147.631,973 87.762,974 64.48,976 5.807,977 117.711,978 40.149,979 20.042,981 116.164,982 117.711,983 117.682,984 64.48,986 0.608,987 0.373,988 0.214,989 0.117,990 19,991 9,992 0.031,993 1,994 1,995 1.133,996 3.004,997 163.831,998 0.133,999 15,1000 84.439,1004 1,1005 13.351,1006 4.439,1007 1.914,1009 117.682,1010 1.182,1011 3.413,1015 -2.791,1018 299.873,1019 29,1022 -4.087,1024 36.826,1028 -0.543,1031 31.705,1032 34.3,1034 0.423,1035 0.755,1036 0.851,1037 0.905,1038 0.932,1039 0.932,1040 4.705,1041 1.017,1042 5.7,1043 2.881,1044 4.234,1045 4.754,1046 1.981,1047 6.678,1048 4.124,1049 5.987,1050 0.336,1051 7.377,1052 2.593,1053 4.205,1054 5.047,1056 8.102,1057 3.996,1058 7.39,1059 -0.389,1060 9.174,1061 0.841,1062 6.033,1063 7.134,1064 2.447,1065 11.271,1066 5.794,1067 8.836,1068 -0.515,1069 11.042,1070 -1.044,1071 6.804,1072 8.203,1074 13.528,1075 6.458,1076 10.321,1077 -0.564,1078 12.959,1079 -1.243,1080 8.23,1081 9.905,1082 2.993,1083 16.341,1084 7.842,1085 11.834,1086 -0.886,1087 14.909,1088 -1.385,1089 9.328,1090 11.274,1092 18.89,1093 8.841,1094 13.369,1095 -1,1096 16.884,1097 -2.151,1098 10.645,1099 12.872,1100 3.598,1101 21.613,1102 10.101,1103 3.692,1104 -1.196,1105 18.877,1106 -3,1107 11.868,1108 14.358,1110 24.26,1111 11.237,1112 2.839,1113 14.786,1114 20.886,1115 -3.283,1116 13.163,1117 15.931,1118 4.241,1119 26.96,1120 12.466,1121 2.469,1122 9.614,1123 22.907,1124 4.853,1125 14.434,1126 17.466,1128 29.638,1129 13.657,1130 2.236,1131 8.422,1132 24.937,1133 3.876,1134 15.729,1135 19.035,1136 4.907,1137 32.333,1138 14.882,1139 1.884,1140 6.822,1141 26.974,1142 3.295,1143 17.019,1144 20.592,1146 35.021,1147 16.097,1148 1.446,1149 5.402,1150 29.017,1151 2.852,1152 18.317,1153 22.163,1154 5.587,1155 37.715,1156 17.324,1157 1.229,1158 3.625,1159 31.065,1160 2.342,1161 19.615,1162 23.73,1164 40.406,1165 18.548,1166 3131,1167 6525,1168 13.929,1169 20.705,1170 34.58,1171 36.786,1172 36.533,1173 34.434,1174 34.298,1175 44.104,1176 4.949,1177 109.969,1178 32.442,1179 6.029,1180 6.83,1181 7.572,1182 5.694,1183 5.692,1184 7.853,1185 2.833,1186 23.368,1187 5.438,1188 11.27,1189 1.572,1190 1.672,1191 1.661,1192 1.565,1193 1.559,1194 2.005,1195 0.225,1196 4.999,1197 1.475,1198 4.152,1199 4.135,1200 4.765,1201 4.116,1202 8.211,1203 4.036,1204 3.832,1205 3.867,1206 3.832,1207 3.703,1208 8.191,1209 3.719,1210 3.587,1211 3.602,1212 3.616,1213 3.482,1214 7.716,1215 3.416,1216 3.184,1217 3.2,1218 3.191,1219 2.997,1220 7.426,1221 2.992,1222 2.93,1223 2.967,1224 2.901,1225 2.72,1226 6.999,1227 2.745,1228 2.903,1229 2.94,1230 2.723,1231 2.711,1232 4.704,1233 2.685,1234 2.761,1235 2.839,1236 2.687,1237 2.523,1238 4.297,1239 2.549,1240 2.551,1241 2.609,1242 2.435,1243 2.254,1244 3.635,1245 2.292,1246 0.231,1247 0.22,1248 0.359,1249 0.21,1250 0.168,1251 5.073,1252 0.221,1253 4.83,1254 0.064,1255 7.895,1256 0.672,1257 4.628,1258 0.156,1259 3.692,1260 4.853,1261 1.416,1262 14.786,1263 3.438,1264 1.901,1265 1.899,1266 2.039,1267 1.997,1268 1.419,1269 2.035,1270 1.81,1271 1.78,1272 1.849,1273 1.977,1274 0.943,1275 1.952,1276 1.475,1277 1.509,1278 1.453,1279 1.636,1280 0.782,1281 1.669,1282 1.205,1283 1.175,1284 1.325,1285 1.4,1286 0.69,1287 1.398,1288 1.011,1289 0.926,1290 1.108,1291 1.253,1292 0.411,1293 1.291,1294 0.761,1295 0.718,1296 0.976,1297 1.02,1299 0.996,1300 0.572,1301 0.523,1302 0.693,1303 0.86,1305 0.841,1306 0.393,1307 0.339,1308 0.67,1309 0.763,1311 0.737,1312 3.807,1314 5.198,1315 2.398,1316 6.799,1317 5.043,1318 8.496,1319 7.38,1320 10.243,1324 26.571,1328 2.001,1333 0.345,1340 20.775,1341 62.213,1342 111.207,1343 125.207,1344 133.207,1345 137.207,1346 137.207,1347 62.794,1348 6.756,1349 67.34,1350 75.72,1351 17,1352 12.699,1353 3.459,1354 3,1355 29.656,1356 49,1357 56,1358 0.31,1359 128.166,1360 234,1361 304.485,1362 6222,1363 6.7,1364 14.491,1365 0.725,1366 0.554,1367 13.001,1368 11.083,1369 9.426,1370 0.428,1371 0.341,1372 6.051,1373 8.145,1374 5.882,1375 4.786,1376 9.41,1377 7.494,1378 9.32,1379 0.274,1380 0.19,1381 9.422,1382 6.45,1383 7.835,1384 0.163,1385 0.11,1386 8.37,1387 5.285,1388 7.068,1389 0.104,1390 0.063,1391 7.975,1392 4.311,1393 5.566,1394 0.066,1395 0.037,1396 6.209,1397 3.127,1398 0.451,1399 68.681,1400 0.268,1401 19.048,1402 0.97,1403 112,1404 523.579,1405 170.928,1406 463.469,1407 600.05,1408 422,1409 138,1410 395.21,1411 210.368,1412 419.472,1413 626.78,1414 393,1415 4}
{0 CHEMBL459825,1 1.483,2 10.931,3 0.283,4 0.08,5 98.828,6 7.706,7 0.188,8 4.112,9 4.185,10 3.675,11 3.533,12 5.268,13 3.564,14 4.701,15 4.809,16 4.141,17 3.96,18 5.881,19 3.993,20 5.054,21 5.187,22 4.28,23 4.132,24 6.37,25 4.143,26 5.15,27 5.335,28 4.16,29 4.141,30 6.349,31 4.106,32 5.098,33 5.31,34 4.053,35 4.081,36 6.228,37 4.026,38 5,39 5.183,40 3.986,41 4.045,42 6.17,43 3.99,44 5.037,45 5.268,46 3.901,47 4.003,48 6.093,49 3.915,50 4.957,51 5.181,52 3.746,53 3.834,54 6.098,55 3.772,56 0.285,57 0.681,58 11.192,59 5.488,60 39.237,61 6.099,62 0.776,63 1.119,64 22.553,65 9.037,66 84.994,67 10.536,68 1.706,69 1.428,70 35.664,71 11.569,72 171.494,73 13.98,74 1.779,75 1.519,76 41.84,77 12.574,78 189.272,79 16.3,80 1.579,81 1.448,82 40.539,83 12.169,84 163.597,85 16.446,86 1.351,87 1.36,88 34.979,89 11.335,90 150.792,91 14.677,92 1.209,93 1.38,94 37.825,95 11.769,96 130.076,97 16.515,98 1.509,99 1.173,100 36.976,101 9.797,102 159.458,103 13.269,104 51,105 49,106 0.25,107 0.617,108 0.801,109 0.87,110 0.891,111 0.897,112 3.409,113 0.882,114 -1.18,115 -1.28,116 -1.35,121 37.7,122 2,123 1,127 1,129 5,130 1,132 1,137 2,144 2,145 2,146 2,160 1,176 5,179 2,180 9,187 7,191 1,192 7,195 4,196 2,200 8,205 1,206 7,209 2,210 2,214 5,218 1,219 6,222 2,223 1,224 2,227 5,231 1,232 4,235 1,236 1,237 3,239 2,243 1,244 6,247 1,249 6,251 2,256 2,259 2,261 5,264 2,268 2,269 3,274 5,281 1277,282 18.875,283 18.875,284 18.875,285 18.875,286 18.875,287 17.89,288 21.754,289 10.45,290 19.298,291 15.668,292 15.668,293 15.668,294 15.668,295 15.668,296 13.985,297 27.089,298 4.882,299 16.475,300 4.245,301 2.068,302 0.979,303 0.571,304 0.444,305 0.406,306 4.095,311 1,312 1,313 683,314 3.674,317 52.914,318 232.331,321 94.782,322 115.838,325 1.736,326 56.896,329 1,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.98,337 67,338 317,339 4.516,340 3.786,341 7.326,342 4.383,343 3.435,344 4.126,345 1.674,346 12.608,347 3.246,348 4.335,349 3.627,350 6.653,351 4.085,352 3.133,353 3.457,354 1.392,355 10.445,356 2.98,357 4.117,358 3.478,359 6.378,360 3.989,361 3.024,362 3.227,363 0.86,364 9.901,365 2.906,366 3.888,367 3.177,368 5.937,369 3.555,370 2.599,371 3.092,372 0.532,373 8.383,374 2.477,375 3.47,376 2.773,377 5.816,378 3.305,379 2.35,380 2.691,382 7.636,383 2.237,384 3.352,385 2.656,386 5.272,387 3.078,388 2.084,389 2.356,391 6.17,392 2.053,393 3.138,394 2.554,395 4.967,396 2.955,397 2.015,398 2.333,400 5.826,401 1.874,402 3.026,403 2.049,404 4.714,405 2.726,406 1.757,407 2.028,409 5.113,410 1.694,411 2.567,412 1.761,413 4.69,414 2.305,415 1.376,416 1.473,418 4.374,419 1.266,420 2.449,421 1.561,422 4.021,423 2.088,424 1.153,425 1.418,427 3.211,428 1.067,429 1.892,430 1.484,431 3.754,432 1.795,433 0.89,434 0.891,436 2.032,437 0.795,438 1.803,439 1.082,440 3.128,441 1.326,442 0.349,443 0.473,445 0.907,446 0.336,447 1.316,448 0.985,449 3.111,450 1.165,451 0.315,452 0.315,454 0.679,455 0.265,456 1.203,457 0.897,458 3.066,459 1.058,460 0.202,461 0.202,463 0.366,464 0.17,465 1.083,466 0.497,467 2.745,468 0.689,469 -0.271,470 -0.348,472 -0.731,473 -0.255,474 13,475 0.448,476 1.067,477 0.037,478 29.25,479 1.009,480 10,481 0.345,482 19.25,483 0.664,484 31.919,485 1.101,486 34.4,487 0.649,488 24.923,489 0.859,490 5.715,491 0.197,492 7.976,493 0.275,494 0.205,495 0.038,496 0.423,501 0.954,502 1.233,503 0.792,504 1.191,505 0.964,506 0.981,507 0.981,508 1.181,509 0.823,510 1.144,511 0.818,512 0.967,513 1.104,514 1.044,515 1.073,516 1.042,517 0.857,518 1.046,519 1.061,520 0.946,521 1.07,522 0.954,523 0.875,524 1.004,525 0.908,526 0.883,527 0.944,528 0.89,529 0.794,530 0.922,531 0.996,532 1.058,533 1.116,534 1.074,535 0.936,536 1.126,537 0.755,538 1.071,539 0.906,540 1.08,541 0.798,542 1.052,543 1.195,544 0.732,545 1.091,546 0.739,547 1.209,548 0.854,549 8.5,550 0.18,551 4.667,552 2.847,553 2.943,554 1.063,555 1.074,556 0.438,557 0.426,558 0.235,559 10301,560 33744,561 2.021,562 45.3,564 11,565 1,567 4,569 8,572 1.72,573 1.822,574 3.425,575 1.697,577 1,582 78.573,583 1.483,584 3.66,585 4.749,586 5.157,587 5.284,588 5.322,589 2.889,590 4.487,591 4.832,592 3.58,593 1453.36,594 8.415,595 19162,597 1,600 303.58,601 1.723,602 4.745,603 0.266,604 0.009,605 0.095,606 0.055,607 0.065,608 0.026,609 0.028,610 0.013,611 0.015,612 0.009,613 0.581,614 0.17,615 1,616 0.83,617 146.109,618 -0.142,619 0.013,620 0.008,621 0.03,622 -0.187,623 0.064,624 -0.04,625 -0.043,626 0.06,627 -0.026,628 -0.05,629 0.038,630 0.02,631 -0.012,632 -0.103,633 -0.031,634 0.052,635 -0.096,636 -0.032,637 0.021,638 -0.074,639 0.011,640 0.004,641 -0.036,642 0.017,643 0.067,644 0.049,645 0.07,646 0.033,647 0.071,648 -0.061,649 -0.058,650 -0.155,651 -0.074,652 -0.047,653 -0.135,654 0.04,655 -0.122,656 0.067,657 -0.109,658 0.011,659 -0.029,660 -0.146,661 0.159,662 -0.046,663 0.16,664 -0.159,665 0.104,666 2.85,667 4.439,668 0.655,669 25.422,670 1.029,671 1.13,672 -0.045,673 0.002,674 0.627,675 3.497,676 3.912,677 4.205,678 4.466,679 4.745,680 4.868,681 4.977,682 5.153,683 5.236,684 5.278,685 6.486,686 0.618,687 408.44,688 3.497,689 5.094,690 5.974,691 6.891,692 7.789,693 8.706,694 9.611,695 10.528,696 11.437,697 12.354,715 2,720 4,722 6,739 1,741 53,743 8,744 1,745 32,747 56,748 20,749 6,750 4,751 2,752 3,756 4,757 7,763 3,767 6,770 6,772 9,773 11,774 1,777 2,782 1,784 2,786 1,790 1,793 24,794 9,795 4,796 9,808 0.5,809 9,810 1,811 3,828 1,829 3,832 1,833 1,846 1,849 2,857 4,858 2,859 2,864 2,868 29,875 4,876 2,878 4,880 6,882 1,893 17,894 4,896 1,897 2,898 2,901 15.917,902 9.467,903 6.125,904 2.953,907 1.665,908 1.21,909 0.835,910 5.353,911 9.581,912 3.638,913 4.182,914 4.656,915 5.129,916 5.668,917 5.971,918 6.286,919 6.662,920 6.866,921 6.884,922 1,923 52,924 10.985,926 5.162,927 0.026,929 8.175,931 19.988,933 17.331,936 2.675,937 77.583,941 235.422,942 82.499,945 239.878,948 82.499,949 475.3,951 17.65,952 2.535,953 208.998,954 54.336,955 38.858,956 11.771,957 223.651,959 235.422,960 82.499,961 239.878,964 141.253,965 141.314,966 192.733,967 0.36,968 20.185,969 43.002,970 18.952,972 235.422,973 239.878,974 82.499,977 235.782,978 26.584,979 55.555,981 239.878,982 235.422,983 239.878,984 82.499,986 0.61,987 0.365,988 0.184,989 0.105,990 26,991 13,992 0.071,993 4,994 2,995 1.211,996 3.864,997 268.332,998 0.211,999 19,1000 138.881,1005 20.592,1006 7.538,1007 3.764,1009 239.878,1010 3.549,1015 2.689,1017 170.733,1018 557.799,1019 37,1024 11.439,1026 3.04,1028 -0.446,1031 54.549,1032 59.867,1034 0.259,1035 0.639,1036 0.829,1037 0.9,1038 0.923,1039 0.929,1040 4.973,1041 1.757,1042 6.038,1043 5.826,1044 4.595,1045 4.868,1046 2.528,1047 6.944,1048 4.494,1049 6.189,1050 1.376,1051 7.674,1052 5.113,1053 4.511,1054 4.844,1056 8.148,1057 4.366,1058 7.524,1059 1.153,1060 9.411,1061 4.374,1062 6.34,1063 6.927,1064 3.238,1065 11.209,1066 6.145,1067 8.884,1068 0.89,1069 11.207,1070 3.211,1071 7.004,1072 7.631,1074 13.18,1075 6.752,1076 10.273,1077 0.349,1078 13.04,1079 2.032,1080 8.396,1081 9.299,1082 4.102,1083 15.84,1084 8.1,1085 11.68,1086 0.315,1087 14.898,1088 0.907,1089 9.368,1090 10.331,1092 18.122,1093 9.01,1094 13.101,1095 0.202,1096 16.776,1097 0.679,1098 10.619,1099 11.848,1100 5.032,1101 20.666,1102 10.215,1103 3.435,1104 -0.271,1105 18.67,1106 0.366,1107 11.72,1108 13.048,1110 23.078,1111 11.255,1112 3.133,1113 12.608,1114 20.577,1115 -0.731,1116 12.928,1117 14.502,1118 5.997,1119 25.592,1120 12.412,1121 3.024,1122 10.445,1123 22.494,1124 4.126,1125 14.084,1126 15.794,1128 28.062,1129 13.509,1130 2.599,1131 9.901,1132 24.42,1133 3.457,1134 15.283,1135 17.221,1136 6.983,1137 30.573,1138 14.654,1139 2.35,1140 8.383,1141 26.354,1142 3.227,1143 16.465,1144 18.565,1146 33.071,1147 15.777,1148 2.084,1149 7.636,1150 28.295,1151 3.092,1152 17.664,1153 19.981,1154 7.982,1155 35.586,1156 16.921,1157 2.015,1158 6.17,1159 30.241,1160 2.691,1161 18.86,1162 21.355,1164 38.099,1165 18.059,1166 9903,1167 18000,1168 20.403,1169 33.227,1170 49.77,1171 52.172,1172 51.915,1173 49.202,1174 49.364,1175 56.165,1176 8.915,1177 155.304,1178 46.733,1179 5.516,1180 5.786,1181 6.848,1182 5.48,1183 5.435,1184 7.126,1185 3.349,1186 20.287,1187 5.246,1188 18.255,1189 1.555,1190 1.63,1191 1.622,1192 1.538,1193 1.543,1194 1.755,1195 0.279,1196 4.853,1197 1.46,1198 4.051,1199 4.061,1200 4.007,1201 3.959,1202 7.434,1203 3.968,1204 3.872,1205 3.884,1206 3.795,1207 3.68,1208 6.519,1209 3.703,1210 3.722,1211 3.746,1212 3.642,1213 3.574,1214 6.456,1215 3.583,1216 3.498,1217 3.526,1218 3.408,1219 3.35,1220 6.433,1221 3.356,1222 3.352,1223 3.392,1224 3.207,1225 3.12,1226 6.386,1227 3.131,1228 3.109,1229 3.149,1230 2.996,1231 2.951,1232 4.927,1233 2.941,1234 3.071,1235 3.113,1236 2.91,1237 2.771,1238 4.712,1239 2.805,1240 2.977,1241 3.009,1242 2.898,1243 2.76,1244 4.507,1245 2.79,1246 0.141,1247 0.118,1248 0.229,1249 0.137,1250 0.107,1251 4.516,1252 0.129,1253 3.786,1254 0.052,1255 7.326,1256 0.394,1257 4.383,1258 0.101,1259 3.435,1260 4.126,1261 1.674,1262 12.608,1263 3.246,1264 1.933,1265 1.922,1266 2.014,1267 2.024,1268 1.286,1269 2.017,1270 1.781,1271 1.761,1272 1.945,1273 2.007,1274 1.245,1275 1.981,1276 1.68,1277 1.643,1278 1.882,1279 1.868,1280 1.111,1281 1.874,1282 1.447,1283 1.427,1284 1.613,1285 1.606,1286 0.827,1287 1.6,1288 1.287,1289 1.243,1290 1.548,1291 1.57,1292 0.766,1293 1.559,1294 1.179,1295 1.119,1296 1.45,1297 1.414,1298 0.55,1299 1.428,1300 0.955,1301 0.918,1302 1.417,1303 1.322,1304 0.469,1305 1.308,1306 0.934,1307 0.804,1308 1.236,1309 1.239,1310 0.428,1311 1.289,1312 4.174,1314 5.565,1315 2.398,1316 7.143,1317 4.727,1318 8.806,1319 6.862,1320 10.514,1322 3.51,1327 39.44,1328 -0.025,1330 22.569,1332 -7.223,1334 -0.959,1340 32.755,1341 78.573,1342 193.97,1343 251.705,1344 273.315,1345 280.07,1346 282.07,1347 75.174,1348 7.916,1349 138.82,1350 138.82,1351 23,1352 12.866,1353 3.17,1354 2.585,1355 44.743,1356 113,1357 112,1358 0.195,1359 194.373,1360 360.13,1361 466.03,1362 29819,1364 20.922,1365 0.721,1366 0.552,1367 20.922,1368 16.018,1369 13.691,1370 0.428,1371 0.294,1372 9.204,1373 12.884,1374 9.028,1375 7.307,1376 13.691,1377 9.412,1378 13.532,1379 0.276,1380 0.163,1381 13.532,1382 7.981,1383 11.623,1384 0.176,1385 0.084,1386 11.623,1387 5.521,1388 9.171,1389 0.107,1390 0.043,1391 9.171,1392 3.735,1393 7.665,1394 0.067,1395 0.023,1396 7.665,1397 2.662,1398 0.304,1399 88.372,1400 0.221,1401 27.226,1402 0.543,1403 162,1404 567.276,1405 189.79,1406 509.207,1407 673.74,1408 476,1409 196,1410 473.424,1411 225.012,1412 462.123,1413 696.66,1414 436,1415 4.167}
{0 CHEMBL460370,1 1.376,2 16.128,3 6.213,4 38.595,5 157.629,6 6.597,7 0.386,8 4.46,9 4.584,10 3.937,11 4.009,12 5.395,13 3.963,14 5.075,15 5.265,16 4.299,17 4.455,18 5.918,19 4.379,20 5.374,21 5.603,22 4.42,23 4.64,24 6.209,25 4.531,26 5.463,27 5.71,28 4.349,29 4.653,30 6.277,31 4.519,32 5.477,33 5.732,34 4.289,35 4.636,36 6.261,37 4.489,38 5.464,39 5.725,40 4.174,41 4.609,42 6.241,43 4.435,44 5.445,45 5.735,46 4.011,47 4.5,48 6.159,49 4.305,50 5.27,51 5.56,52 3.947,53 4.354,54 5.936,55 4.177,56 0.067,57 1.125,58 18.885,59 8.13,60 10.845,61 11.15,62 0.284,63 1.931,64 36.255,65 13.927,66 25.349,67 19.609,68 0.456,69 2.494,70 49.383,71 18.519,72 41.846,73 26.686,74 0.505,75 2.643,76 54.457,77 20.036,78 56.588,79 28.81,80 0.609,81 2.6,82 55.516,83 20.345,84 57.748,85 29.24,86 0.546,87 2.564,88 54.498,89 20.541,90 59.031,91 29.647,92 0.549,93 2.425,94 54.011,95 19.58,96 61.107,97 28.674,98 0.386,99 2.068,100 45.036,101 16.586,102 38.202,103 24.307,104 14,105 62,106 0.21,107 0.506,108 0.715,109 0.832,110 0.858,111 0.861,112 3.693,113 1.009,114 -5.06,115 -4.96,116 -4.65,121 41.3,123 9,124 2,126 2,127 4,144 6,145 4,146 3,148 2,159 1,176 17,180 11,185 3,187 20,191 1,192 13,197 2,200 15,206 8,209 2,211 4,214 16,218 1,219 6,224 2,227 17,231 1,232 6,237 2,239 15,243 1,244 6,249 1,251 5,255 1,256 10,261 1,264 5,269 3,274 1,277 8,281 2960,282 27.187,283 27.187,284 27.187,285 27.187,286 27.187,287 25.108,288 34.036,289 15.984,290 27.735,291 21.634,292 21.634,293 21.634,294 21.634,295 21.634,296 18.156,297 39.588,298 7.441,299 22.31,300 4.945,301 3.003,302 1.629,303 0.863,304 0.694,305 0.669,306 4.412,312 1,313 1408,314 3.674,317 93.299,318 543.416,321 177.143,322 343.949,325 2.58,326 29.007,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.83,335 1,336 0.83,337 82.5,338 629,339 4.64,340 3.793,341 6.829,342 4.227,343 3.226,344 4.564,345 1.277,346 11.348,347 3.24,348 4.528,349 3.361,350 6.724,351 4.207,352 3.222,353 4.173,354 0.86,355 10.926,356 3.162,357 4.019,358 3.184,359 6.107,360 3.723,361 2.762,362 3.437,363 0.86,364 8.884,365 2.654,366 3.914,367 2.879,368 5.982,369 3.575,370 2.62,371 3.385,372 0.8,373 8.37,374 2.512,375 3.659,376 2.668,377 5.598,378 3.524,379 2.532,380 2.893,381 0.4,382 7.552,383 2.501,384 3.522,385 2.56,386 5.386,387 3.208,388 2.251,389 2.684,391 6.813,392 2.141,393 3.345,394 2.39,395 5.378,396 3.121,397 2.168,398 2.509,400 6.709,401 2.064,402 3.213,403 2.344,404 5.097,405 2.92,406 1.922,407 2.309,409 5.959,410 1.91,411 2.987,412 2.196,413 4.865,414 2.756,415 1.782,416 2.142,418 5.369,419 1.736,420 2.938,421 1.845,422 4.249,423 2.528,424 1.551,425 2.052,427 3.53,428 1.516,429 2.643,430 1.734,431 4.116,432 2.438,433 1.461,434 1.678,436 3.463,437 1.423,438 2.539,439 1.508,440 3.951,441 2.345,442 1.347,443 1.518,445 3.329,446 1.343,447 2.495,448 1.429,449 3.643,450 2.274,451 1.336,452 1.486,454 3.079,455 1.24,456 2.454,457 1.35,458 3.594,459 2.242,460 1.247,461 1.445,463 2.902,464 1.235,465 2,466 1.286,467 3.428,468 1.984,469 1,470 1,472 2.275,473 0.983,474 18.7,475 0.479,476 0.79,477 0.02,478 44,479 1.128,480 19,481 0.487,482 25,483 0.641,484 44.331,485 1.137,486 43.1,487 0.539,488 32.013,489 0.821,490 7.795,491 0.2,492 11.345,493 0.291,494 0.071,496 0.342,501 0.793,502 1.314,503 0.888,504 1.165,505 0.579,506 1.054,507 1.127,508 1.084,509 0.982,510 0.984,511 0.704,512 0.965,513 0.844,514 1.107,515 0.953,516 1.036,517 0.822,518 1.005,519 1.009,520 1.047,521 1.053,522 1.056,523 1.19,524 1.054,525 1.047,526 0.997,527 1.05,528 1.007,529 0.993,530 1.023,531 0.864,532 1.099,533 1.105,534 1.125,535 1.108,536 1.138,537 0.917,538 0.984,539 1.018,540 0.984,541 1.266,542 1.01,543 0.756,544 0.968,545 0.902,546 0.956,547 0.818,548 0.946,549 6.5,550 0.188,551 4.222,552 2.951,553 2.467,554 1.344,555 0.698,556 0.423,557 0.398,558 0.182,559 30339,560 62902,561 2.171,562 51.3,563 11,564 20,567 1,568 3,569 4,570 2,572 1.786,573 2.071,574 3.895,575 -0.46,582 110.12,583 1.376,584 3.319,585 4.693,586 5.459,587 5.628,588 5.653,589 3.319,590 4.663,591 5.263,592 4.179,593 3096.88,594 9.228,595 56845.5,600 505.754,601 1.262,602 5.234,603 0.148,604 0.005,605 0.068,606 0.044,607 0.041,608 0.024,609 0.015,610 0.011,611 0.01,612 0.004,613 0.37,614 0.17,615 0.75,616 0.64,617 223.862,618 0.015,619 -0.1,620 0.078,621 -0.025,622 0.052,623 0.024,624 -0.098,625 0.039,626 0.012,627 0.064,628 0.007,629 0.053,630 0.058,631 -0.046,632 0.029,633 -0.023,634 0.079,635 -0.002,636 -0.035,637 -0.017,638 -0.064,639 -0.068,640 -0.042,641 -0.068,642 -0.018,643 -0.002,644 -0.058,645 -0.022,646 -0.007,647 -0.039,648 0.002,649 -0.113,650 -0.132,651 -0.132,652 -0.018,653 -0.144,654 -0.025,655 -0.043,656 -0.04,657 -0.025,658 -0.079,659 -0.035,660 0.032,661 -0.018,662 0.067,663 0.01,664 -0.022,665 0.036,666 1.384,667 6.148,668 0.744,669 47.592,670 0.988,671 1.125,672 3.834,673 14.703,674 0.648,675 3.807,676 4.143,677 4.477,678 4.779,679 5.056,680 5.147,681 5.298,682 5.416,683 5.464,684 5.447,685 9.851,686 0.603,687 527.77,688 3.807,689 5.361,690 6.236,691 7.128,692 8.021,693 8.92,694 9.818,695 10.72,696 11.622,697 12.526,698 3.8,701 1,703 1,708 1,714 2,715 6,716 1,720 7,722 17,727 1,734 1,739 2,741 80,743 18,744 2,745 44,747 85,748 33,749 15,750 6,751 6,752 1,756 6,757 10,767 7,768 2,770 9,772 16,773 17,774 2,777 1,782 1,786 1,793 41,794 6,795 1,796 6,802 3,808 0.5,809 3,822 1,828 1,829 5,832 1,833 2,855 1,859 3,864 2,868 39,876 13,877 1,878 2,880 2,881 1,893 3.8,896 1,898 2,901 18.833,902 14.817,903 8.639,904 5.358,907 3.519,908 1.382,909 0.994,910 8.085,911 12.72,912 3.998,913 4.575,914 5.186,915 5.768,916 6.345,917 6.645,918 6.975,919 7.251,920 7.471,921 7.343,922 1,923 67,924 14.562,926 6.276,927 0.026,929 7.457,931 29.113,933 25.266,936 1.957,937 76.333,941 470.844,942 145.265,943 37.921,945 47.145,948 145.265,949 517.989,950 37.921,951 21.766,952 31.234,953 56.857,954 65.075,955 55.398,957 470.844,959 470.844,960 183.185,961 47.145,964 400.217,965 117.771,968 39.259,969 109.13,970 34.796,972 470.844,973 85.065,974 145.265,977 470.844,978 66.641,979 81.748,980 18.011,981 63.93,982 470.844,983 85.065,984 145.265,986 0.577,987 0.355,988 0.202,989 0.115,990 31,991 13,992 0.106,993 9,994 3,995 1.207,996 5.05,997 387.496,998 0.207,999 29,1000 202.131,1005 26.592,1006 11.858,1007 5.536,1008 2.379,1009 85.065,1010 12.439,1011 4.973,1015 7.357,1017 18.011,1018 701.174,1019 53.5,1024 13.148,1028 0.283,1031 79.076,1032 90.012,1034 0.218,1035 0.525,1036 0.742,1037 0.864,1038 0.89,1039 0.894,1040 5.264,1041 1.922,1042 6.217,1043 6.709,1044 4.828,1045 5.263,1046 2.14,1047 7.055,1048 4.778,1049 6.445,1050 1.782,1051 7.788,1052 5.959,1053 4.369,1054 5.112,1055 0.325,1056 7.995,1057 4.309,1058 7.754,1059 1.551,1060 9.46,1061 5.369,1062 6.444,1063 7.455,1064 2.2,1065 11.131,1066 6.359,1067 9.101,1068 1.461,1069 11.194,1070 3.53,1071 6.847,1072 8.185,1073 0.268,1074 12.917,1075 6.758,1076 10.487,1077 1.347,1078 12.967,1079 3.463,1080 8.355,1081 10.012,1082 2.45,1083 15.567,1084 8.251,1085 11.9,1086 1.336,1087 14.768,1088 3.329,1089 9.163,1090 11.145,1091 0.188,1092 17.707,1093 9.059,1094 13.333,1095 1.247,1096 16.588,1097 3.079,1098 10.448,1099 12.773,1100 2.807,1101 20.197,1102 10.334,1103 3.226,1104 1,1105 18.424,1106 2.902,1107 11.446,1108 14.097,1109 0.125,1110 22.489,1111 11.334,1112 3.222,1113 11.348,1114 20.271,1115 2.275,1116 12.645,1117 15.645,1118 3.225,1119 24.925,1120 12.528,1121 2.762,1122 10.926,1123 22.129,1124 4.564,1125 13.732,1126 17.059,1127 0.082,1128 27.284,1129 13.615,1130 2.62,1131 8.884,1132 23.994,1133 4.173,1134 14.901,1135 18.576,1136 3.677,1137 29.702,1138 14.781,1139 2.532,1140 8.37,1141 25.866,1142 3.437,1143 16.028,1144 20.034,1145 0.054,1146 32.09,1147 15.908,1148 2.251,1149 7.552,1150 27.744,1151 3.385,1152 17.19,1153 21.54,1154 4.146,1155 34.504,1156 17.067,1157 2.168,1158 6.813,1159 29.626,1160 2.893,1161 18.336,1162 23.02,1163 0.035,1164 36.907,1165 18.212,1166 27612,1167 39925,1168 30.224,1169 51.847,1170 65.585,1171 67.788,1172 67.892,1173 65.491,1174 65.584,1175 79.873,1176 8.395,1177 191.189,1178 63.773,1179 5.64,1180 5.793,1181 6.515,1182 5.267,1183 5.226,1184 7.564,1185 2.555,1186 18.879,1187 5.24,1188 15.537,1189 1.491,1190 1.541,1191 1.543,1192 1.488,1193 1.491,1194 1.815,1195 0.191,1196 4.345,1197 1.449,1198 4.123,1199 4.154,1200 4.079,1201 4.048,1202 7.426,1203 4.052,1204 4.047,1205 4.067,1206 4,1207 3.974,1208 4.976,1209 3.977,1210 3.869,1211 3.925,1212 3.753,1213 3.735,1214 4.91,1215 3.731,1216 3.732,1217 3.781,1218 3.617,1219 3.65,1220 4.495,1221 3.636,1222 3.626,1223 3.688,1224 3.509,1225 3.47,1226 4.416,1227 3.467,1228 3.521,1229 3.564,1230 3.396,1231 3.349,1232 4.371,1233 3.354,1234 3.289,1235 3.355,1236 3.157,1237 3.151,1238 4.293,1239 3.143,1240 3.25,1241 3.315,1242 3.063,1243 2.985,1244 4.198,1245 2.989,1246 0.105,1247 0.086,1248 0.155,1249 0.096,1250 0.073,1251 4.64,1252 0.104,1253 3.793,1254 0.029,1255 6.829,1256 0.258,1257 4.227,1258 0.074,1259 3.226,1260 4.564,1261 1.277,1262 11.348,1263 3.24,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.497,1269 2.163,1270 1.89,1271 1.872,1272 2.092,1273 2.052,1274 1.435,1275 2.069,1276 1.879,1277 1.834,1278 1.957,1279 1.978,1280 1.241,1281 1.968,1282 1.754,1283 1.709,1284 1.949,1285 1.873,1286 1.17,1287 1.902,1288 1.648,1289 1.589,1290 1.882,1291 1.832,1292 1.131,1293 1.852,1294 1.518,1295 1.459,1296 1.75,1297 1.706,1298 1.05,1299 1.723,1300 1.273,1301 1.217,1302 1.575,1303 1.522,1304 0.825,1305 1.538,1306 1.233,1307 1.185,1308 1.567,1309 1.521,1310 0.76,1311 1.533,1312 4.489,1314 5.82,1315 2.398,1316 7.359,1317 4.844,1318 8.996,1319 7.018,1320 10.686,1322 3.273,1328 14.45,1329 3.82,1330 10.879,1332 0.722,1333 2.61,1340 48.218,1341 110.12,1342 265.496,1343 375.45,1344 436.735,1345 450.244,1346 452.244,1347 67.563,1348 9.201,1349 63.69,1350 63.69,1351 35,1352 13.046,1353 4.248,1354 3.392,1355 55.74,1356 240,1357 190,1358 0.111,1359 288.982,1360 508.21,1361 696.877,1362 182548,1364 26.769,1365 0.686,1366 0.601,1367 26.769,1368 23.43,1369 19.14,1370 0.435,1371 0.336,1372 14.637,1373 18.534,1374 14.275,1375 11.77,1376 19.14,1377 14.801,1378 16.81,1379 0.271,1380 0.187,1381 16.81,1382 11.567,1383 15.169,1384 0.174,1385 0.105,1386 15.169,1387 9.159,1388 12.986,1389 0.11,1390 0.06,1391 12.986,1392 7.026,1393 11.142,1394 0.071,1395 0.035,1396 11.142,1397 5.42,1398 0.184,1399 119.121,1400 0.182,1401 36.009,1402 0.283,1403 212,1404 504.83,1405 225.717,1406 484.407,1407 677.69,1408 460,1409 255,1410 502.347,1411 270.244,1412 512.083,1413 756.83,1414 483,1415 9.056}
{0 CHEMBL460969,1 1.314,2 10.364,3 2.478,4 6.142,5 123.689,6 6.46,8 4.322,9 4.439,10 3.743,11 3.867,12 5.327,13 3.81,14 4.977,15 5.157,16 4.268,17 4.407,18 5.927,19 4.332,20 5.414,21 5.589,22 4.548,23 4.767,24 6.397,25 4.674,26 5.748,27 5.969,28 4.63,29 4.947,30 6.692,31 4.814,32 5.888,33 6.143,34 4.606,35 4.918,36 6.935,37 4.77,38 5.809,39 6.075,40 4.354,41 4.734,42 6.899,43 4.576,44 5.552,45 5.825,46 4.146,47 4.512,48 6.573,49 4.351,50 5.354,51 5.622,52 3.988,53 4.305,54 6.478,55 4.152,56 0.05,57 0.938,58 16.879,59 8.024,60 17.592,61 10.462,62 0.226,63 1.7,64 32.86,65 14.676,66 65.176,67 19.755,68 0.339,69 2.538,70 51.607,71 21.779,72 103.097,73 29.289,74 0.554,75 3.29,76 72.651,77 28.408,78 156.254,79 39.397,80 1.05,81 3.449,82 85.109,83 29.705,84 252.363,85 42.167,86 1.487,87 2.974,88 80.401,89 25.399,90 315.85,91 36.132,92 0.902,93 2.359,94 61.298,95 20.316,96 208.521,97 29.107,98 0.846,99 1.919,100 50.476,101 16.482,102 186.442,103 23.591,104 149,105 61,106 0.209,107 0.455,108 0.694,109 0.844,110 0.863,111 0.863,112 3.534,113 1.031,114 -3.97,115 -3.92,116 -3.72,121 38,122 6,123 7,124 3,125 4,129 1,138 2,158 3,160 1,170 1,174 1,176 21,177 1,180 7,183 1,185 3,187 35,188 1,192 12,197 4,200 42,201 1,206 13,211 5,214 32,215 2,219 14,222 2,224 10,227 27,228 2,231 1,232 11,235 1,237 4,239 23,240 3,243 1,244 8,245 1,249 5,251 18,252 2,255 1,256 6,257 1,259 1,261 3,264 16,265 1,268 2,269 4,272 1,274 1,275 1,277 9,278 2,281 1618,282 20.408,283 20.408,284 20.408,285 20.408,286 20.408,287 19.669,288 26.467,289 10.82,290 20.362,291 17.577,292 17.577,293 17.577,294 17.577,295 17.577,296 16.132,297 31.555,298 4.974,299 17.476,300 4.835,301 3.284,302 1.776,303 0.828,304 0.712,305 0.712,306 4.206,312 1,313 721,314 4.899,317 51.68,318 172.738,321 85.464,322 191.51,325 1.791,326 64.434,329 1,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.98,337 72,338 342,339 5.138,340 4.437,341 8.836,342 5.058,343 4.055,344 4.367,345 2.341,346 18.227,347 4.067,348 4.795,349 4.121,350 8.143,351 4.758,352 3.755,353 3.869,354 2.25,355 15.715,356 3.767,357 4.339,358 3.786,359 7.406,360 4.201,361 3.192,362 3.522,363 2.178,364 12.612,365 3.22,366 3.894,367 3.597,368 7.016,369 3.833,370 2.834,371 2.954,372 1.277,373 11.067,374 2.833,375 3.628,376 3.376,377 6.193,378 3.419,379 2.401,380 2.75,381 1.035,382 8.195,383 2.454,384 3.568,385 3.156,386 5.84,387 3.362,388 2.36,389 2.712,390 0.148,391 7.454,392 2.344,393 3.375,394 3.044,395 5.652,396 3.175,397 2.173,398 2.428,400 6.633,401 2.16,402 3.265,403 2.648,404 5.19,405 3.071,406 2.051,407 2.297,409 5.235,410 2.077,411 3.077,412 2.494,413 4.802,414 2.84,415 1.799,416 2.093,418 5.172,419 1.864,420 2.724,421 2.018,422 4.632,423 2.558,424 1.545,425 1.694,427 4.311,428 1.554,429 2.391,430 1.498,431 4.383,432 2.171,433 1.157,434 1.303,436 3.435,437 1.169,438 1.842,439 1.274,440 4.018,441 1.655,442 0.64,443 0.693,445 1.781,446 0.642,447 1.78,448 1.202,449 3.845,450 1.54,451 0.501,452 0.581,454 1.283,455 0.515,456 1.44,457 0.901,458 3.591,459 1.293,460 0.284,461 0.308,463 0.669,464 0.285,465 1.408,466 0.673,467 3.341,468 1.191,469 0.165,470 0.19,472 0.403,473 0.168,474 15.5,475 0.47,476 1.639,477 0.05,478 27,479 0.818,480 7.5,481 0.227,482 19.5,483 0.591,484 56.07,485 1.699,486 39.1,487 0.551,488 22.08,489 0.669,490 3.631,491 0.11,492 11.488,493 0.348,494 0.323,495 0.129,496 0.323,501 0.652,502 1.187,503 0.925,504 1.183,505 0.641,506 1.113,507 0.442,508 0.989,509 0.72,510 0.984,511 0.45,512 0.912,513 0.817,514 1.204,515 1.05,516 1.206,517 0.837,518 1.175,519 0.801,520 1.227,521 1.068,522 1.231,523 0.834,524 1.201,525 0.907,526 1.098,527 0.989,528 1.094,529 0.923,530 1.061,531 1.322,532 0.876,533 1.105,534 0.881,535 1.277,536 0.944,537 1.06,538 0.933,539 0.989,540 0.933,541 1.089,542 0.947,543 1.049,544 0.947,545 0.979,546 0.946,547 1.001,548 0.949,549 12,550 0.178,551 8.667,552 6.424,553 5.076,554 2.622,555 1.531,556 0.998,557 0.516,558 0.297,559 11395,560 29068,561 1.912,562 53.5,563 25,564 1,567 2,568 8,569 2,572 1.761,573 1.664,574 3.242,575 0.132,582 93.319,583 1.314,584 2.866,585 4.374,586 5.322,587 5.438,588 5.438,589 2.912,590 4.802,591 5.007,592 3.426,593 1808.71,594 8.823,595 24024.7,600 436.632,601 1.896,602 4.871,603 0.333,604 0.01,605 0.142,606 0.083,607 0.065,608 0.037,609 0.029,610 0.023,611 0.014,612 0.013,613 0.749,614 0.33,615 1,616 1.295,617 167.683,618 -0.045,619 0.11,620 0.019,621 0.106,622 -0.048,623 0.078,624 0.105,625 0.198,626 0.207,627 0.206,628 0.098,629 0.222,630 -0.072,631 -0.039,632 -0.094,633 -0.045,634 -0.064,635 -0.069,636 -0.047,637 -0.154,638 -0.117,639 -0.155,640 -0.058,641 -0.15,642 0.021,643 -0.119,644 -0.014,645 -0.113,646 0.012,647 -0.075,648 -0.102,649 0.043,650 -0.084,651 0.033,652 -0.083,653 -0.015,654 -0.04,655 -0.001,656 -0.002,657 0.001,658 -0.043,659 0.006,660 0.024,661 -0.017,662 0.018,663 -0.014,664 0.052,665 -0.001,666 2.528,667 6.898,668 0.515,669 30.4,670 0.997,671 1.129,672 2.74,673 7.508,674 0.622,675 3.611,676 4.127,677 4.522,678 4.89,679 5.22,680 5.421,681 5.645,682 5.875,683 5.996,684 6.061,685 5.902,686 0.582,687 458.65,688 3.611,689 5.273,690 6.213,691 7.204,692 8.177,693 9.174,694 10.16,695 11.161,696 12.154,697 13.157,741 71,743 5,745 36,747 74,748 27,752 3,756 4,757 10,763 6,764 4,766 4,767 6,768 2,770 8,772 6,773 21,774 3,777 5,782 4,786 6,793 38,794 6,795 2,796 6,808 0.25,809 6,811 1,828 1,829 3,832 1,833 2,841 3,845 1,850 2,857 2,859 1,864 6,868 33,875 2,876 7,880 4,882 4,893 8.5,894 1,895 1,896 4,901 19.833,902 14.4,903 6.757,904 4.665,907 0.573,908 1.068,909 0.854,910 5.513,911 9.02,912 3.738,913 4.304,914 4.779,915 5.22,916 5.652,917 5.93,918 6.174,919 6.458,920 6.605,921 6.62,922 1,923 77,924 12.663,926 6.067,927 0.026,929 8.01,931 23.976,933 22.284,936 2.51,937 82.833,941 423.76,942 93.374,945 185.946,948 93.374,949 609.706,951 52.951,952 17.742,953 42.683,954 159.573,955 6.371,957 423.76,959 423.76,960 93.374,961 185.946,964 400.217,965 166.805,966 42.683,968 70.693,969 22.681,972 423.76,973 185.946,974 93.374,977 423.76,978 40.423,979 52.951,981 185.946,982 423.76,983 185.946,984 93.374,986 0.633,987 0.393,988 0.209,989 0.122,990 34,991 18,992 0.054,993 4,994 3,995 1.353,996 3.718,997 357.038,998 0.353,999 17,1000 164.465,1005 24.487,1006 7.429,1007 3.059,1009 185.946,1017 85.367,1018 703.08,1019 41,1024 51.52,1028 0.558,1031 70.752,1032 80.145,1034 0.214,1035 0.466,1036 0.711,1037 0.865,1038 0.884,1039 0.884,1040 5.159,1041 2.051,1042 6.368,1043 6.633,1044 4.812,1045 4.99,1046 3.426,1047 7.473,1048 4.824,1049 6.446,1050 1.799,1051 8.142,1052 5.235,1053 5.056,1054 5.263,1055 3.124,1056 9.243,1057 5.07,1058 7.864,1059 1.545,1060 10.04,1061 5.172,1062 6.797,1063 7.112,1064 4.662,1065 12.467,1066 6.815,1067 9.316,1068 1.157,1069 12.013,1070 4.311,1071 7.775,1072 8.105,1073 5.003,1074 14.99,1075 7.796,1076 10.805,1077 0.64,1078 14.034,1079 3.435,1080 9.197,1081 9.621,1082 6.127,1083 17.923,1084 9.22,1085 12.32,1086 0.501,1087 16.087,1088 1.781,1089 10.43,1090 10.883,1091 6.735,1092 20.68,1093 10.456,1094 13.856,1095 0.284,1096 18.163,1097 1.283,1098 11.791,1099 12.326,1100 7.693,1101 23.557,1102 11.82,1103 4.055,1104 0.165,1105 20.257,1106 0.669,1107 13.111,1108 13.692,1109 8.417,1110 26.391,1111 13.143,1112 3.755,1113 18.227,1114 22.364,1115 0.403,1116 14.469,1117 15.126,1118 9.303,1119 29.263,1120 14.503,1121 3.192,1122 15.715,1123 24.482,1124 4.367,1125 15.821,1126 16.537,1127 10.08,1128 32.127,1129 15.858,1130 2.834,1131 12.612,1132 26.608,1133 3.869,1134 17.186,1135 17.975,1136 10.934,1137 35.004,1138 17.225,1139 2.401,1140 11.067,1141 28.741,1142 3.522,1143 18.552,1144 19.409,1145 11.737,1146 37.882,1147 18.594,1148 2.36,1149 8.195,1150 30.879,1151 2.954,1152 19.923,1153 20.854,1154 12.576,1155 40.765,1156 19.968,1157 2.173,1158 7.454,1159 33.022,1160 2.75,1161 21.297,1162 22.3,1163 13.392,1164 43.65,1165 21.345,1166 11431,1167 18250,1168 21.383,1169 44.194,1170 59.154,1171 62.031,1172 64.206,1173 57.917,1174 57.822,1175 63.522,1176 18.459,1177 204.382,1178 58.235,1179 6.138,1180 6.331,1181 8.164,1182 6.058,1183 6.055,1184 7.06,1185 3.94,1186 28.125,1187 6.067,1188 25.077,1189 1.643,1190 1.723,1191 1.783,1192 1.609,1193 1.606,1194 1.764,1195 0.513,1196 5.677,1197 1.618,1198 4.151,1199 4.173,1200 4.092,1201 4.083,1202 7.474,1203 4.081,1204 3.934,1205 3.968,1206 3.849,1207 3.849,1208 7.431,1209 3.843,1210 3.719,1211 3.758,1212 3.614,1213 3.593,1214 7.424,1215 3.589,1216 3.56,1217 3.592,1218 3.474,1219 3.411,1220 7.423,1221 3.415,1222 3.44,1223 3.495,1224 3.319,1225 3.285,1226 6.449,1227 3.277,1228 3.375,1229 3.425,1230 3.231,1231 3.198,1232 6.351,1233 3.196,1234 3.35,1235 3.393,1236 3.201,1237 3.145,1238 4.474,1239 3.154,1240 3.168,1241 3.241,1242 2.991,1243 2.966,1244 4.286,1245 2.957,1246 0.143,1247 0.123,1248 0.245,1249 0.14,1250 0.113,1251 5.138,1252 0.121,1253 4.437,1254 0.065,1255 8.836,1256 0.506,1257 5.058,1258 0.113,1259 4.055,1260 4.367,1261 2.341,1262 18.227,1263 4.067,1264 2.064,1265 2.044,1266 2.182,1267 2.154,1268 1.604,1269 2.164,1270 1.871,1271 1.834,1272 2.053,1273 1.991,1274 1.468,1275 2.013,1276 1.756,1277 1.72,1278 1.939,1279 1.902,1280 1.262,1281 1.913,1282 1.515,1283 1.473,1284 1.767,1285 1.717,1286 1.039,1287 1.721,1288 1.483,1289 1.434,1290 1.737,1291 1.663,1292 1.012,1293 1.694,1294 1.418,1295 1.361,1296 1.674,1297 1.624,1298 0.937,1299 1.642,1300 1.281,1301 1.231,1302 1.588,1303 1.532,1304 0.744,1305 1.545,1306 1.181,1307 1.114,1308 1.53,1309 1.431,1310 0.693,1311 1.462,1312 4.29,1314 5.759,1315 2.398,1316 7.438,1317 5.043,1318 9.228,1319 7.402,1320 11.084,1322 11.801,1327 20.638,1328 2.352,1332 -1.232,1334 -2.803,1340 41.298,1341 93.319,1342 203.495,1343 310.554,1344 377.838,1345 386.103,1346 386.103,1347 143.343,1348 8.448,1349 108.74,1350 108.74,1351 23,1352 13.616,1353 2.585,1354 2.585,1355 53.988,1356 116,1357 145,1358 0.243,1359 249.531,1360 465.76,1361 600.615,1362 49461,1364 24.723,1365 0.749,1366 0.63,1367 24.723,1368 20.787,1369 15.119,1370 0.42,1371 0.344,1372 12.28,1373 14.704,1374 11.69,1375 9.611,1376 15.119,1377 12.368,1378 16.157,1379 0.265,1380 0.204,1381 16.157,1382 12.441,1383 14.067,1384 0.155,1385 0.117,1386 14.067,1387 10.632,1388 11.872,1389 0.09,1390 0.064,1391 11.872,1392 8.469,1393 10.289,1394 0.056,1395 0.034,1396 10.289,1397 6.318,1398 0.362,1399 94.176,1400 0.216,1401 29.272,1402 0.737,1403 194,1404 487.242,1405 206.843,1406 462.59,1407 606.34,1408 424,1409 249,1410 422.848,1411 260.296,1412 430.336,1413 640.86,1414 403,1415 4.619}
{0 CHEMBL461945,1 2.181,2 6.5,3 2.568,4 6.595,5 69.279,6 11.21,7 0.25,8 3.597,9 3.652,10 3.635,11 3.155,12 4.936,13 3.187,14 4.195,15 4.299,16 4.037,17 3.576,18 5.848,19 3.609,20 4.471,21 4.606,22 4.258,23 3.694,24 6.244,25 3.741,26 4.501,27 4.615,28 4.261,29 3.59,30 6.411,31 3.673,32 4.426,33 4.517,34 4.183,35 3.329,36 6.688,37 3.516,38 4.06,39 4.145,40 3.761,41 3.002,42 6.386,43 3.194,44 3.806,45 3.993,46 3.109,47 2.764,48 5.331,49 2.849,50 3.76,51 4.018,52 2.554,53 2.247,54 5.353,55 2.373,56 0.388,57 0.794,58 2.67,59 3.269,60 90.787,61 2.18,62 0.875,63 1.278,64 5.484,65 5.563,66 170.467,67 4.637,68 1.447,69 1.686,70 15.904,71 7.895,72 289.803,73 6.828,74 1.592,75 1.64,76 19.94,77 8.099,78 364.6,79 5.477,80 1.912,81 1.461,82 16.642,83 6.357,84 434.103,85 3.145,86 1.282,87 0.977,88 4.955,89 3.879,90 268.535,91 2.368,92 0.962,93 0.895,94 5.707,95 3.789,96 176.49,97 2.812,98 1.163,99 0.624,100 10.263,101 3.138,102 201.344,103 1.72,104 50,105 38,106 0.413,107 0.664,108 0.752,109 0.79,110 0.815,111 0.815,112 3.15,113 0.965,114 -3.13,115 -3.13,116 -3.01,121 40,123 4,138 1,140 1,146 3,149 2,160 1,176 4,179 4,180 2,187 4,192 7,200 2,205 3,206 8,219 3,231 3,232 1,244 2,256 2,281 568,282 14.015,283 14.015,284 14.015,285 14.015,286 14.015,287 12.461,288 14.904,289 7.689,290 14.443,291 11.733,292 11.733,293 11.733,294 11.733,295 11.733,296 9.233,297 14.94,298 3.558,299 12.565,300 2.726,301 1.4,302 0.933,303 0.733,304 0.6,305 0.6,306 3.812,311 1,312 1,313 300,314 2.739,317 39.399,318 115.016,321 78.69,325 0.955,326 75.406,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 54,338 143,339 5.081,340 4.831,341 7.909,342 4.643,343 3.706,344 4.861,345 1.416,346 14.869,347 3.456,348 4.495,349 3.661,350 6.811,351 4.027,352 3.105,353 4.225,354 1.058,355 10.955,356 2.848,357 3.922,358 3.457,359 6.1,360 3.471,361 2.47,362 3.296,364 8.434,365 2.455,366 3.637,367 3.006,368 5.91,369 3.189,370 2.303,371 3,373 7.519,374 2.074,375 3.544,376 2.686,377 5.686,378 3.174,379 2.246,380 2.79,382 7.063,383 2.01,384 3.119,385 2.37,386 5.074,387 2.721,388 1.771,389 2.234,391 5.294,392 1.658,393 2.44,394 1.86,395 3.926,396 2.272,397 1.296,398 1.405,400 2.955,401 1.256,402 2.143,403 1.752,404 3.777,405 2.03,406 1.03,407 1.096,409 2.658,410 1.026,411 1.812,412 1.485,413 3.46,414 1.393,415 0.618,416 0.686,418 1.416,419 0.468,420 1.781,421 1.238,422 3.335,423 1.357,424 0.407,425 0.509,427 1.09,428 0.373,429 1,430 0.494,431 3.068,432 0.469,433 -0.455,434 -0.55,436 -1.249,437 -0.402,438 0.913,439 0.239,440 2.75,441 0.436,442 -0.56,443 -0.635,445 -1.378,446 -0.461,447 0.644,448 0.076,449 2.329,450 0.182,451 -0.599,452 -0.681,454 -1.43,455 -0.552,456 0.546,457 -0.422,458 2.136,459 0.11,460 -0.886,461 -1.024,463 -2.151,464 -0.883,465 0.305,466 -0.496,467 2,469 -1,470 -1.5,472 -3,473 -1,474 9.776,475 0.444,476 0.908,477 0.041,478 27.25,479 1.239,480 12.5,481 0.568,482 14.75,483 0.67,484 18.029,485 0.819,486 25.624,487 0.854,488 23.387,489 1.063,490 5.157,491 0.234,492 5.106,493 0.232,494 0.219,495 0.085,496 0.45,499 2,500 2,501 0.554,502 0.99,503 0.69,504 1.285,505 0.589,506 0.925,507 0.521,508 0.807,509 0.62,510 0.885,511 0.555,512 0.894,513 0.597,514 0.749,515 0.781,516 1.09,517 0.668,518 0.925,519 0.835,520 0.814,521 1.137,522 1.244,523 0.922,524 0.995,525 1.055,526 0.946,527 1.001,528 1.009,529 1.129,530 0.839,531 0.923,532 1.193,533 0.657,534 0.799,535 0.942,536 1.004,537 1.498,538 1.558,539 1.173,540 1.089,541 1.36,542 1.468,543 2.299,544 1.494,545 1.87,546 0.66,547 2.002,548 1.239,549 5.5,551 4.222,552 3.896,553 2.286,554 1.289,555 0.545,556 0.212,557 0.072,559 3759,560 18788,561 1.954,562 26.7,563 6,569 2,572 1.657,573 1.725,574 2.72,575 -0.538,577 1,579 1,582 65.432,583 2.181,584 3.507,585 3.974,586 4.174,587 4.307,588 4.307,589 2.117,590 4.005,591 4.437,592 2.833,593 654.475,594 7.681,595 6828.02,596 1,597 1,599 1,600 147.207,601 1.742,602 4.318,603 0.229,605 0.111,606 0.089,607 0.056,608 0.035,609 0.02,610 0.015,611 0.012,613 0.567,614 0.5,615 1,616 0.728,617 96.269,618 0.014,619 -0.098,620 0.149,621 -0.13,622 -0.007,623 -0.013,624 0.144,625 0.003,626 0.171,627 0.064,628 0.109,629 0.05,630 0.204,631 0.097,632 0.283,633 -0.039,634 0.128,635 0.149,636 0.052,637 0.001,638 0.041,639 -0.132,640 0.022,641 0.02,642 0.077,643 -0.014,644 0.015,645 -0.03,646 0.087,647 0.035,648 0.207,649 -0.185,650 -0.028,651 -0.065,652 0.222,653 -0.241,654 -0.37,655 -0.325,656 -0.349,657 -0.267,658 -0.344,659 -0.446,660 -0.848,661 -0.065,662 -0.783,663 0.15,664 -0.7,665 -0.197,666 5.463,667 5.768,668 0.682,669 11.777,670 1.091,671 1.166,672 1.901,673 3.612,674 0.686,675 3.219,676 3.664,677 4.025,678 4.357,679 4.605,680 4.615,681 4.663,682 4.762,683 4.644,684 4.454,685 4.261,686 0.718,687 336.29,688 3.219,689 4.828,690 5.74,691 6.691,692 7.627,693 8.581,694 9.526,695 10.482,696 11.43,697 12.387,698 6.7,705 1,708 1,716 1,720 5,722 6,740 4,741 30,743 10,745 24,747 32,748 12,749 5,752 3,756 3,757 4,767 4,770 4,772 8,773 4,777 4,780 1,782 3,786 3,789 1,790 1,791 4,793 8,794 9,796 10,797 1,802 2,808 0.667,809 3,822 1,828 1,829 2,832 1,849 1,850 1,859 2,862 1,866 4,868 22,872 1,876 4,881 1,892 4,893 10,896 3,901 12.75,902 5.638,903 4.639,904 1.89,907 1.673,908 1.241,909 1.016,910 3.352,911 8.625,912 3.466,913 4.167,914 4.725,915 5.279,916 5.756,917 5.879,918 6.037,919 6.402,920 6.515,921 6.48,922 1,923 44,924 9.109,926 5.189,927 0.026,929 9.057,931 14.34,933 12.58,936 3.557,937 78.25,941 94.169,942 63.77,943 18.304,945 69.458,946 59.84,947 5.807,948 57.962,949 163.627,950 78.145,952 11.657,953 5.807,954 92.499,955 54.105,956 47.305,957 94.169,959 94.169,960 76.266,961 129.298,962 5.807,964 100.547,965 93,966 29.92,968 11.657,969 46.273,970 24.144,972 154.009,973 87.762,974 63.77,976 5.807,977 94.169,978 57.962,979 1.519,981 146.084,982 94.169,983 147.602,984 63.77,986 0.617,987 0.392,988 0.216,989 0.122,990 21,991 11,992 0.031,993 1,994 1,995 1.133,996 3.057,997 191.328,998 0.133,999 15,1000 88.107,1004 1,1005 15.142,1006 4.871,1007 2.022,1009 147.602,1011 2.339,1015 -9.709,1018 305.541,1019 31,1022 -4.546,1024 36.801,1028 -1.527,1031 32.731,1032 34.98,1034 0.444,1035 0.715,1036 0.81,1037 0.851,1038 0.878,1039 0.878,1040 4.792,1041 1.03,1042 5.832,1043 2.955,1044 4.344,1045 4.852,1046 1.981,1047 6.83,1048 4.209,1049 6.092,1050 0.618,1051 7.528,1052 2.658,1053 4.369,1054 5.207,1056 8.247,1057 4.135,1058 7.507,1059 0.407,1060 9.336,1061 1.416,1062 6.168,1063 7.262,1064 2.447,1065 11.426,1066 5.898,1067 8.963,1068 -0.455,1069 11.209,1070 1.09,1071 6.967,1072 8.365,1074 13.652,1075 6.593,1076 10.455,1077 -0.56,1078 13.124,1079 -1.249,1080 8.374,1081 10.048,1082 2.993,1083 16.467,1084 7.959,1085 11.97,1086 -0.599,1087 15.068,1088 -1.378,1089 9.478,1090 11.429,1092 18.995,1093 8.969,1094 13.506,1095 -0.886,1096 17.035,1097 -1.43,1098 10.783,1099 13.016,1100 3.598,1101 21.716,1102 10.22,1103 3.706,1104 -1,1105 19.02,1106 -2.151,1107 12.004,1108 14.504,1110 24.352,1111 11.359,1112 3.105,1113 14.869,1114 21.019,1115 -3,1116 13.291,1117 16.068,1118 4.241,1119 27.051,1120 12.583,1121 2.47,1122 10.955,1123 23.03,1124 4.861,1125 14.557,1126 17.6,1128 29.725,1129 13.774,1130 2.303,1131 8.434,1132 25.051,1133 4.225,1134 15.845,1135 19.161,1136 4.907,1137 32.42,1138 14.996,1139 2.246,1140 7.519,1141 27.08,1142 3.296,1143 17.131,1144 20.712,1146 35.109,1147 16.209,1148 1.771,1149 7.063,1150 29.116,1151 3,1152 18.425,1153 22.276,1154 5.587,1155 37.805,1156 17.435,1157 1.296,1158 5.294,1159 31.157,1160 2.79,1161 19.719,1162 23.837,1164 40.499,1165 18.66,1166 3824,1167 8730,1168 14.74,1169 20.58,1170 38.119,1171 41.398,1172 40.641,1173 37.969,1174 37.905,1175 48.204,1176 4.949,1177 124.508,1178 35.25,1179 6.039,1180 6.831,1181 7.586,1182 5.704,1183 5.706,1184 7.861,1185 2.833,1186 23.515,1187 5.456,1188 14.123,1189 1.588,1190 1.725,1191 1.693,1192 1.582,1193 1.579,1194 2.008,1195 0.206,1196 5.188,1197 1.469,1198 4.157,1199 4.14,1200 4.766,1201 4.119,1202 8.255,1203 4.042,1204 3.85,1205 3.879,1206 3.89,1207 3.696,1208 8.225,1209 3.725,1210 3.585,1211 3.599,1212 3.616,1213 3.474,1214 8.167,1215 3.408,1216 3.181,1217 3.198,1218 3.185,1219 2.992,1220 8.156,1221 2.988,1222 3.002,1223 3.034,1224 3.047,1225 2.724,1226 7.716,1227 2.787,1228 2.92,1229 2.948,1230 2.796,1231 2.712,1232 7.425,1233 2.685,1234 2.8,1235 2.861,1236 2.721,1237 2.539,1238 6.999,1239 2.589,1240 2.556,1241 2.611,1242 2.448,1243 2.241,1244 4.402,1245 2.288,1246 0.212,1247 0.201,1248 0.33,1249 0.193,1250 0.154,1251 5.081,1252 0.203,1253 4.831,1254 0.059,1255 7.909,1256 0.62,1257 4.643,1258 0.144,1259 3.706,1260 4.861,1261 1.416,1262 14.869,1263 3.456,1264 1.901,1265 1.9,1266 2.039,1267 1.999,1268 1.419,1269 2.035,1270 1.801,1271 1.78,1272 1.768,1273 1.981,1274 0.953,1275 1.939,1276 1.447,1277 1.482,1278 1.447,1279 1.626,1280 0.751,1281 1.647,1282 1.197,1283 1.166,1284 1.322,1285 1.399,1286 0.685,1287 1.394,1288 1,1289 0.917,1290 1.024,1291 1.25,1292 0.319,1293 1.283,1294 0.768,1295 0.751,1296 0.744,1297 1.086,1299 0.972,1300 0.507,1301 0.471,1302 0.68,1303 0.839,1305 0.817,1306 0.382,1307 0.331,1308 0.665,1309 0.759,1311 0.691,1312 3.892,1314 5.303,1315 2.398,1316 6.923,1317 5.043,1318 8.638,1319 7.38,1320 10.404,1324 53.903,1328 1.198,1333 -0.207,1340 21.542,1341 65.432,1342 105.207,1343 119.207,1344 125.207,1345 129.207,1346 129.207,1347 83.553,1348 6.952,1349 67.34,1350 75.72,1351 17,1352 12.874,1353 3.459,1354 3,1355 33.992,1356 55,1357 48,1358 0.317,1359 130.562,1360 246.14,1361 310.332,1362 7826,1363 13.3,1364 16.232,1365 0.738,1366 0.531,1367 13.001,1368 11.684,1369 10.264,1370 0.428,1371 0.322,1372 6.229,1373 8.791,1374 6.103,1375 4.935,1376 9.41,1377 7.722,1378 10.247,1379 0.27,1380 0.175,1381 9.422,1382 6.662,1383 9.044,1384 0.164,1385 0.1,1386 8.37,1387 5.491,1388 7.658,1389 0.099,1390 0.058,1391 7.975,1392 4.459,1393 6.342,1394 0.064,1395 0.033,1396 6.209,1397 3.267,1398 0.458,1399 75.397,1400 0.26,1401 20.501,1402 1.012,1403 124,1404 711.802,1405 191.255,1406 587.92,1407 745.97,1408 534,1409 155,1410 487.229,1411 236.594,1412 498.671,1413 752.6,1414 466,1415 4}
{0 CHEMBL461946,1 2.094,2 7.84,3 2.992,4 8.952,5 82.051,6 11.282,7 0.444,8 3.676,9 3.727,10 3.711,11 3.275,12 5.077,13 3.304,14 4.199,15 4.284,16 4.101,17 3.649,18 5.905,19 3.691,20 4.425,21 4.511,22 4.303,23 3.759,24 6.294,25 3.827,26 4.521,27 4.614,28 4.352,29 3.738,30 6.46,31 3.816,32 4.53,33 4.6,34 4.396,35 3.68,36 6.745,37 3.795,38 4.443,39 4.561,40 4.055,41 3.483,42 6.58,43 3.581,44 4.152,45 4.339,46 3.425,47 3.183,48 5.745,49 3.228,50 3.943,51 4.151,52 3.203,53 2.829,54 5.642,55 2.942,56 0.362,57 0.814,58 2.558,59 3.368,60 79.588,61 2.172,62 0.787,63 1.298,64 4.451,65 5.287,66 145.938,67 4.062,68 1.207,69 1.783,70 11.175,71 7.316,72 240.551,73 5.152,74 1.506,75 1.816,76 11.105,77 7.779,78 327.846,79 4.907,80 1.793,81 1.787,82 13.101,83 7.94,84 394.666,85 4.464,86 1.604,87 1.27,88 13.086,89 6.792,90 318.291,91 5.224,92 1.165,93 1.072,94 12.29,95 5.601,96 208,97 4.735,98 1.09,99 0.999,100 9.773,101 4.224,102 182.274,103 2.915,104 65,105 42,106 0.381,107 0.687,108 0.736,109 0.778,110 0.793,111 0.793,112 3.269,113 0.908,114 -3.65,115 -3.62,116 -3.45,121 45.5,122 1,138 1,140 1,144 5,145 1,146 3,149 2,160 1,176 7,179 4,180 2,187 9,192 7,200 6,205 3,206 7,214 3,219 8,227 2,231 3,232 7,239 1,244 4,256 2,269 2,281 831,282 15.93,283 15.93,284 15.93,285 15.93,286 15.93,287 13.635,288 12.584,289 8.835,290 16.386,291 13.19,292 13.19,293 13.19,294 13.19,295 13.19,296 9.745,297 14.501,298 4.107,299 14.028,300 2.95,301 1.272,302 1.004,303 0.773,304 0.69,305 0.69,306 3.932,310 1,311 1,312 1,313 410,314 2.828,317 65.451,318 160.735,325 1.299,326 78.06,328 1,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 60,338 196,339 5.085,340 4.814,341 7.9,342 4.647,343 3.708,344 4.869,345 1.416,346 14.795,347 3.469,348 4.498,349 3.659,350 6.81,351 4.035,352 3.109,353 4.227,354 1.058,355 10.954,356 2.885,357 4.165,358 3.455,359 6.454,360 3.728,361 2.74,362 3.722,364 9.685,365 2.672,366 3.637,367 3.006,368 5.864,369 3.189,370 2.303,371 3,373 7.345,374 2.098,375 3.601,376 2.724,377 5.686,378 3.165,379 2.226,380 2.944,382 7.063,383 2.01,384 3.434,385 2.483,386 5.094,387 2.947,388 1.97,389 2.736,391 5.614,392 1.889,393 3.061,394 1.996,395 4.975,396 2.572,397 1.618,398 2.178,400 4.832,401 1.523,402 2.737,403 1.86,404 3.693,405 2.254,406 1.26,407 1.794,409 2.885,410 1.248,411 2.5,412 1.572,413 3.656,414 2,415 1,416 1.5,418 2.136,419 1,420 1.834,421 1.264,422 3.335,423 1.407,424 0.618,425 0.686,427 1.416,428 0.468,429 1.781,430 1,431 3.247,432 1.393,433 0.475,434 0.577,436 1.306,437 0.431,438 1.308,439 0.651,440 3.22,441 0.991,442 -0.022,443 -0.027,445 -0.056,446 -0.022,447 1,448 0.241,449 3.019,450 0.465,451 -0.472,452 -0.607,454 -1.254,455 -0.413,456 0.913,457 0.205,458 2.343,459 0.183,460 -0.595,461 -0.68,463 -1.43,464 -0.48,465 0.603,466 -0.058,467 2.291,468 0.142,469 -0.872,470 -1.25,472 -1.941,473 -0.883,474 11.276,475 0.451,476 0.998,477 0.04,478 34.75,479 1.39,480 18.5,481 0.74,482 16.25,483 0.65,484 18.506,485 0.74,486 27.724,487 0.84,488 31.371,489 1.255,490 7.108,491 0.284,492 4.567,493 0.183,494 0.234,495 0.074,496 0.435,499 2,500 2,501 0.546,502 0.931,503 0.695,504 1.205,505 0.612,506 0.867,507 0.559,508 0.797,509 0.621,510 0.825,511 0.626,512 0.77,513 0.69,514 0.813,515 0.95,516 1.199,517 0.787,518 0.956,519 0.835,520 0.784,521 0.828,522 1.002,523 0.955,524 0.927,525 0.834,526 0.984,527 0.977,528 1.214,529 0.899,530 1.02,531 0.792,532 0.93,533 0.947,534 0.971,535 0.794,536 1.09,537 1.238,538 1.073,539 1.169,540 0.928,541 1.154,542 1.207,543 1.777,544 1.398,545 1.318,546 0.746,547 1.565,548 1.044,549 6,550 0.025,551 4.444,552 4.083,553 2.767,554 1.577,555 0.813,556 0.34,557 0.173,558 0.091,559 5458,560 26568,561 1.937,562 24.2,564 5,569 3,572 1.691,573 1.714,574 2.933,575 -0.593,577 1,582 69.107,583 2.094,584 3.772,585 4.041,586 4.271,587 4.355,588 4.355,589 2.455,590 4.004,591 4.617,592 3.075,593 922.559,594 8.041,595 10477.2,596 1,597 1,598 1,599 1,600 166.465,601 1.735,602 4.504,603 0.222,604 0.008,605 0.106,606 0.083,607 0.059,608 0.033,609 0.022,610 0.016,611 0.011,612 0.009,613 0.569,614 0.5,615 1,616 0.712,617 115.691,618 0.016,619 -0.091,620 0.147,621 -0.136,622 -0.053,623 -0.019,624 0.124,625 0.027,626 0.159,627 0.104,628 0.06,629 0.095,630 0.15,631 0.126,632 0.031,633 -0.139,634 0.071,635 -0.048,636 0.076,637 0.063,638 0.16,639 -0.004,640 0.012,641 0.006,642 0.219,643 -0.01,644 0.055,645 -0.149,646 0.22,647 -0.144,648 0.191,649 -0.111,650 0.02,651 -0.072,652 0.225,653 -0.085,654 -0.251,655 -0.163,656 -0.142,657 -0.043,658 -0.212,659 -0.014,660 -0.518,661 -0.137,662 -0.322,663 0.119,664 -0.411,665 0.065,666 5.638,667 5.947,668 0.68,669 16.55,670 1.083,671 1.151,672 2.422,673 5.867,674 0.715,675 3.332,676 3.761,677 4.111,678 4.419,679 4.663,680 4.682,681 4.727,682 4.828,683 4.745,684 4.615,685 4.859,686 0.744,687 372.32,688 3.332,689 4.934,690 5.838,691 6.779,692 7.708,693 8.655,694 9.595,695 10.546,696 11.491,697 12.445,698 6.1,705 1,708 1,715 5,716 1,720 6,722 12,740 4,741 33,743 16,744 1,745 27,747 35,748 15,749 11,750 1,751 5,752 3,756 3,757 3,763 1,772 14,773 1,777 4,780 1,782 3,786 3,789 1,790 1,791 4,793 8,794 9,796 10,797 1,802 2,808 1,809 3,822 1,828 1,829 2,849 1,850 1,859 3,862 1,864 1,866 4,868 25,872 1,881 1,892 4,893 9.1,896 3,901 14.583,902 6.555,903 5.333,904 1.814,907 2.47,908 1.351,909 1.012,910 3.986,911 9.506,912 3.638,913 4.344,914 4.924,915 5.496,916 6.027,917 6.183,918 6.451,919 6.852,920 7.034,921 7.128,922 1,923 49,924 10.301,926 5.77,927 0.026,929 8.937,931 16.091,933 13.558,936 3.437,937 85.917,941 94.169,942 113.024,943 18.304,945 69.458,946 59.84,947 5.807,948 107.216,949 163.627,950 78.145,951 8.825,952 1.519,953 53.189,954 92.499,955 57.29,956 47.305,957 94.169,959 94.169,960 125.52,961 129.298,962 5.807,964 88.776,965 104.771,966 29.92,968 10.344,969 96.84,970 24.144,972 154.009,973 87.762,974 113.024,976 5.807,977 94.169,978 51.01,979 57.725,981 146.084,982 94.169,983 147.602,984 113.024,986 0.612,987 0.386,988 0.208,989 0.118,990 22,991 12,992 0.057,993 2,995 1,996 3.299,997 225.256,999 17,1000 102.096,1004 1,1005 17.283,1006 5.766,1007 2.46,1009 147.602,1010 7.473,1011 2.344,1015 -9.798,1018 354.795,1019 37,1022 -4.722,1024 37.476,1028 -2.177,1031 35.731,1032 37.98,1034 0.415,1035 0.748,1036 0.801,1037 0.847,1038 0.863,1039 0.863,1040 4.934,1041 1.26,1042 5.922,1043 4.832,1044 4.443,1045 5.03,1046 1.981,1047 6.905,1048 4.322,1049 6.235,1050 1,1051 7.609,1052 2.885,1053 4.443,1054 5.278,1056 8.296,1057 4.227,1058 7.637,1059 0.618,1060 9.41,1061 2.136,1062 6.248,1063 7.421,1064 2.447,1065 11.472,1066 6.006,1067 9.08,1068 0.475,1069 11.276,1070 1.416,1071 7.031,1072 8.434,1074 13.673,1075 6.688,1076 10.558,1077 -0.022,1078 13.184,1079 1.306,1080 8.436,1081 10.167,1082 2.993,1083 16.481,1084 8.059,1085 12.062,1086 -0.472,1087 15.122,1088 -0.056,1089 9.528,1090 11.492,1092 18.989,1093 9.061,1094 13.587,1095 -0.595,1096 17.083,1097 -1.254,1098 10.829,1099 13.1,1100 3.598,1101 21.701,1102 10.312,1103 3.708,1104 -0.872,1105 19.061,1106 -1.43,1107 12.041,1108 14.558,1110 24.323,1111 11.445,1112 3.109,1113 14.795,1114 21.054,1115 -1.941,1116 13.324,1117 16.129,1118 4.241,1119 27.014,1120 12.668,1121 2.74,1122 10.954,1123 23.06,1124 4.869,1125 14.584,1126 17.645,1128 29.679,1129 13.855,1130 2.303,1131 9.685,1132 25.075,1133 4.227,1134 15.869,1135 19.207,1136 4.907,1137 32.367,1138 15.076,1139 2.226,1140 7.345,1141 27.099,1142 3.722,1143 17.151,1144 20.751,1146 35.048,1147 16.288,1148 1.97,1149 7.063,1150 29.129,1151 3,1152 18.443,1153 22.315,1154 5.587,1155 37.738,1156 17.513,1157 1.618,1158 5.614,1159 31.166,1160 2.944,1161 19.735,1162 23.873,1164 40.426,1165 18.737,1166 5519,1167 12399,1168 16.531,1169 23.58,1170 42.519,1171 45.527,1172 45.199,1173 42.165,1174 42.054,1175 56.468,1176 4.949,1177 136.063,1178 39.387,1179 5.975,1180 6.814,1181 7.702,1182 5.708,1183 5.708,1184 7.869,1185 2.833,1186 23.471,1187 5.469,1188 16.598,1189 1.575,1190 1.686,1191 1.674,1192 1.562,1193 1.558,1194 2.091,1195 0.183,1196 5.039,1197 1.459,1198 4.151,1199 4.132,1200 4.764,1201 4.116,1202 8.255,1203 4.046,1204 3.874,1205 3.903,1206 3.89,1207 3.791,1208 8.225,1209 3.783,1210 3.786,1211 3.788,1212 3.824,1213 3.667,1214 8.167,1215 3.663,1216 3.189,1217 3.215,1218 3.299,1219 3.059,1220 8.156,1221 3.011,1222 3.1,1223 3.103,1224 3.047,1225 2.848,1226 7.716,1227 2.86,1228 3.002,1229 3.034,1230 2.971,1231 2.735,1232 7.426,1233 2.787,1234 2.854,1235 2.925,1236 2.728,1237 2.724,1238 6.999,1239 2.715,1240 2.804,1241 2.856,1242 2.687,1243 2.603,1244 4.759,1245 2.614,1246 0.188,1247 0.178,1248 0.293,1249 0.172,1250 0.137,1251 5.085,1252 0.18,1253 4.814,1254 0.052,1255 7.9,1256 0.548,1257 4.647,1258 0.128,1259 3.708,1260 4.869,1261 1.416,1262 14.795,1263 3.469,1264 1.934,1265 1.923,1266 2.031,1267 1.997,1268 1.166,1269 2.017,1270 1.816,1271 1.814,1272 1.767,1273 1.988,1274 0.984,1275 1.953,1276 1.638,1277 1.648,1278 1.717,1279 1.743,1280 0.846,1281 1.783,1282 1.313,1283 1.318,1284 1.264,1285 1.545,1286 0.379,1287 1.515,1288 0.949,1289 0.876,1290 1.181,1291 1.208,1292 0.342,1293 1.238,1294 0.886,1295 0.821,1296 0.999,1297 1.086,1298 0.218,1299 1.107,1300 0.768,1301 0.751,1302 0.817,1303 1.062,1305 0.972,1306 0.703,1307 0.673,1308 0.744,1309 0.928,1311 0.932,1312 4.007,1314 5.407,1315 2.398,1316 7.013,1317 5.043,1318 8.713,1319 7.368,1320 10.463,1322 1.055,1324 54.554,1333 -0.289,1340 24.542,1341 69.107,1342 124.491,1343 133.346,1344 140.955,1345 143.71,1346 143.71,1347 94.205,1348 7.036,1349 67.34,1350 75.72,1351 17,1352 12.933,1353 4.087,1354 3.459,1355 41.275,1356 71,1357 79,1358 0.294,1359 150.557,1360 279.22,1361 359.12,1362 8516,1363 12.1,1364 18.516,1365 0.741,1366 0.53,1367 15.285,1368 13.243,1369 11.674,1370 0.432,1371 0.303,1372 6.683,1373 10.168,1374 6.475,1375 5.303,1376 10.82,1377 8.175,1378 11.456,1379 0.273,1380 0.166,1381 10.673,1382 6.969,1383 10.145,1384 0.169,1385 0.09,1386 9.497,1387 5.425,1388 8.282,1389 0.101,1390 0.047,1391 8.384,1392 3.882,1393 6.757,1394 0.064,1395 0.025,1396 6.541,1397 2.658,1398 0.432,1399 83.861,1400 0.246,1401 23.19,1402 0.91,1403 138,1404 757.802,1405 205.255,1406 637.372,1407 815.16,1408 580,1409 171,1410 539.229,1411 250.924,1412 554.833,1413 831.35,1414 518,1415 4}
{0 CHEMBL463686,1 1.6,2 6.294,3 2.664,4 7.097,5 59.915,6 8.969,7 0.842,8 3.372,9 3.45,10 3.092,11 3.008,12 4.674,13 3.02,14 3.803,15 3.898,16 3.467,17 3.361,18 5.242,19 3.366,20 4.028,21 4.188,22 3.526,23 3.419,24 5.32,25 3.421,26 3.956,27 4.116,28 3.377,29 3.254,30 5.375,31 3.263,32 3.77,33 3.918,34 3.147,35 3.098,36 5.206,37 3.086,38 3.575,39 3.732,40 2.778,41 2.899,42 4.852,43 2.836,44 3.413,45 3.615,46 2.384,47 2.534,48 4.71,49 2.445,50 3.024,51 3.276,52 1.557,53 1.814,54 4.286,55 1.694,56 0.065,57 0.333,58 3.117,59 1.978,60 9.798,61 1.943,62 0.16,63 0.532,64 5.032,65 3.047,66 27.932,67 3.232,68 0.189,69 0.703,70 8.726,71 3.913,72 23.981,73 4.325,74 0.294,75 0.638,76 8.606,77 3.412,78 36.694,79 3.395,80 0.252,81 0.492,82 7.08,83 3.079,84 32.94,85 3.102,86 0.127,87 0.377,88 5.891,89 2.962,90 19.658,91 3.237,92 0.129,93 0.311,94 6.274,95 2.73,96 17.427,97 3.211,98 0.157,99 0.2,100 5.658,101 1.915,102 26.038,103 2.172,104 6,105 27,106 0.309,107 0.517,108 0.62,109 0.757,110 0.815,111 0.852,112 2.911,113 0.812,114 -2.76,115 -2.77,116 -2.69,121 52,144 7,145 1,148 4,160 1,170 1,174 1,176 6,177 1,180 5,183 1,185 1,187 4,188 1,191 1,192 9,193 1,197 1,200 2,201 1,205 1,206 5,207 1,209 1,211 1,214 2,215 1,218 1,219 1,222 1,224 1,227 6,228 1,232 1,237 1,239 6,240 2,244 2,249 2,251 2,252 1,256 1,261 1,281 255,282 11.569,283 11.569,284 11.569,285 11.569,286 11.569,287 9.622,288 2.278,289 6.807,290 11.675,291 9.394,292 9.394,293 9.394,294 9.394,295 9.394,296 6.463,297 1.651,298 3.214,299 9.59,300 3.044,301 1.972,302 1.437,303 0.731,304 0.43,305 0.24,306 3.59,311 1,312 1,313 232,314 2.345,318 86.249,322 94.182,325 1.017,326 19.842,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 37,338 107,339 4.636,340 3.612,341 6.684,342 4.14,343 3.167,344 4.651,345 1.437,346 10.803,347 3.081,348 4.198,349 3.035,350 6.116,351 3.726,352 2.742,353 3.96,355 8.915,356 2.689,357 3.679,358 2.564,359 5.508,360 3.219,361 2.233,362 3.111,364 6.845,365 2.19,366 3.225,367 1.889,368 4.679,369 2.68,370 1.727,371 2.546,373 4.918,374 1.641,375 2.965,376 1.573,377 4.029,378 2.455,379 1.462,380 2.181,382 3.232,383 1.448,384 2.84,385 1.398,386 3.768,387 2.333,388 1.339,389 2.005,391 3.038,392 1.33,393 2.719,394 1.321,395 3.615,396 2.19,397 1.193,398 1.758,400 2.927,401 1.177,402 2.004,403 0.624,404 3.102,405 1.465,406 0.499,407 0.741,409 1.226,410 0.479,411 1.195,412 0.396,413 2.697,414 0.672,415 -0.298,416 -0.434,418 -0.788,419 -0.287,420 1.066,421 -0.26,422 2.32,423 0.531,424 -0.433,425 -0.649,427 -1.106,428 -0.416,429 0.755,430 -0.431,431 2.208,432 0.257,433 -0.739,434 -1.036,436 -1.845,437 -0.724,438 0.45,439 -0.698,440 2,441 -0.01,442 -1,443 -1.394,445 -2,446 -0.971,447 0.355,448 -1.091,449 1.674,450 -0.123,451 -1.103,452 -1.646,454 -3.058,455 -1.092,456 0.255,457 -1.244,458 1.497,459 -0.255,460 -1.244,461 -1.865,463 -3.513,464 -1.231,465 -0.269,466 -1.585,467 1.228,468 -0.695,469 -1.674,470 -2.202,472 -5.076,473 -1.639,474 7.967,475 0.469,476 0.418,477 0.025,478 26.5,479 1.559,480 15.5,481 0.912,482 11,483 0.647,484 8.434,485 0.496,486 16.633,487 0.665,488 16.693,489 0.982,490 5.38,491 0.316,492 2.874,493 0.169,494 0.084,496 0.377,501 0.77,502 1.016,503 0.641,504 0.815,505 0.747,506 0.727,507 0.476,508 1.266,509 0.691,510 1.018,511 0.406,512 0.932,513 0.806,514 1.171,515 0.807,516 0.947,517 0.694,518 0.881,519 1.14,520 0.958,521 1.061,522 0.878,523 1.048,524 0.91,525 1.131,526 0.738,527 1.135,528 0.936,529 1.176,530 1.005,531 1.039,532 1.015,533 1.245,534 1.309,535 1.136,536 1.339,537 1.139,538 1.069,539 1.24,540 1.372,541 1.249,542 1.365,543 1.863,544 0.773,545 1.446,546 0.994,547 2.073,548 1.121,549 3,551 2,552 1.063,553 1.28,554 0.521,555 0.262,556 0.066,557 0.041,559 2183,560 7069,561 2.127,562 32,564 7,567 1,572 1.575,573 2,574 2.719,575 -0.256,579 1,582 39.991,583 1.6,584 2.672,585 3.207,586 3.913,587 4.214,588 4.404,589 2.184,590 3.455,591 4.063,592 2.768,593 376.425,594 6.895,595 3282.15,597 1,599 1,600 116.096,601 1.379,602 4.023,603 0.158,605 0.074,606 0.038,607 0.056,608 0.029,609 0.022,610 0.009,611 0.02,613 0.406,614 0.67,615 1,616 0.844,617 68.146,618 -0.103,619 -0.052,620 -0.001,621 0.059,622 -0.143,623 0.052,624 0.189,625 -0.278,627 -0.151,628 0.201,629 -0.133,630 -0.043,631 -0.122,632 0.08,633 -0.047,634 -0.015,635 0.023,636 -0.063,637 0.121,638 -0.116,639 0.02,640 -0.043,641 -0.032,642 -0.009,643 0.245,644 -0.188,645 0.009,646 -0.036,647 -0.092,648 -0.108,649 -0.176,650 -0.263,651 -0.296,652 -0.118,653 -0.313,654 -0.052,655 -0.269,656 -0.05,657 -0.287,658 -0.043,659 -0.202,660 -0.283,661 0.024,662 0.05,663 0.185,664 -0.3,665 0.186,666 2.653,667 4.083,668 0.824,669 8.706,670 1.02,671 1.106,672 1.529,673 2.338,674 0.728,675 2.996,676 3.332,677 3.638,678 3.932,679 4.22,680 4.263,681 4.394,682 4.443,683 4.466,684 4.205,685 3.93,686 0.722,687 224.23,688 2.996,689 4.533,690 5.398,691 6.29,692 7.177,693 8.074,694 8.969,695 9.867,696 10.764,697 11.664,698 8,708 2,714 4,715 7,716 2,720 1,722 16,731 1,741 25,743 17,744 2,745 19,747 27,748 13,749 12,750 5,751 7,752 1,756 3,757 6,772 13,777 1,782 1,786 1,790 1,793 8,794 4,795 1,796 4,802 2,808 0.333,809 2,819 1,829 3,833 2,857 1,859 1,868 17,875 1,893 8,895 1,896 1,901 8.5,902 4.6,903 3.694,904 1.431,907 3.653,908 1.552,909 1.003,910 2.102,911 10.273,912 3.367,913 4.069,914 4.771,915 5.469,916 6.167,917 6.593,918 7.116,919 7.575,920 7.998,921 8.08,922 1,923 28,924 6.247,926 2.741,927 0.026,929 8.029,931 11.538,933 9.489,936 2.529,937 43,938 0.001,941 82.398,942 79.006,943 33.571,945 67.828,948 79.006,949 150.226,950 33.571,953 66.334,954 102.309,955 11.762,957 82.398,959 82.398,960 112.577,961 67.828,964 82.398,965 67.828,968 8.577,969 70.429,970 33.571,972 82.398,973 101.399,974 79.006,977 82.398,978 12.672,979 66.334,981 101.399,982 82.398,983 101.399,984 79.006,986 0.584,987 0.348,988 0.197,989 0.113,990 15,991 6,992 0.037,993 1,994 2,995 1.286,996 2.905,997 125.852,998 0.286,999 14,1000 69.487,1005 9.882,1006 3.616,1007 1.554,1008 2.499,1009 101.399,1010 12.385,1011 8.75,1015 0.181,1017 42.683,1018 262.803,1019 28,1024 11.083,1028 -0.986,1031 25.509,1032 27.661,1034 0.344,1035 0.575,1036 0.691,1037 0.843,1038 0.907,1039 0.948,1040 4.575,1041 0.499,1042 5.389,1043 2.927,1044 4.007,1045 4.754,1046 1.635,1047 6.229,1048 3.962,1049 5.823,1050 -0.298,1051 6.963,1052 1.226,1053 3.611,1054 4.677,1056 7.186,1057 3.537,1058 7.156,1059 -0.433,1060 8.642,1061 -0.788,1062 5.617,1063 7.127,1064 2.253,1065 10.31,1066 5.522,1067 8.531,1068 -0.739,1069 10.381,1070 -1.106,1071 6.043,1072 7.892,1074 12.093,1075 5.916,1076 9.937,1077 -1,1078 12.16,1079 -1.845,1080 7.532,1081 9.806,1082 2.922,1083 14.727,1084 7.385,1085 11.368,1086 -1.103,1087 13.964,1088 -2,1089 8.343,1090 10.972,1092 16.843,1093 8.164,1094 12.817,1095 -1.244,1096 15.786,1097 -3.058,1098 9.618,1099 12.658,1100 3.619,1101 19.306,1102 9.417,1103 3.167,1104 -1.674,1105 17.62,1106 -3.513,1107 10.608,1108 14.016,1110 21.564,1111 10.375,1112 2.742,1113 10.803,1114 19.465,1115 -5.076,1116 11.796,1117 15.605,1118 4.33,1119 23.965,1120 11.539,1121 2.233,1122 8.915,1123 21.317,1124 4.651,1125 12.867,1126 17.054,1128 26.285,1129 12.579,1130 1.727,1131 6.845,1132 23.176,1133 3.96,1134 14.022,1135 18.603,1136 5.047,1137 28.665,1138 13.708,1139 1.462,1140 4.918,1141 25.039,1142 3.111,1143 15.131,1144 20.094,1146 31.014,1147 14.787,1148 1.339,1149 3.232,1150 26.906,1151 2.546,1152 16.276,1153 21.629,1154 5.769,1155 33.388,1156 15.904,1157 1.193,1158 3.038,1159 28.777,1160 2.181,1161 17.403,1162 23.14,1164 35.751,1165 17.002,1166 2155,1167 3964,1168 12.83,1169 18.205,1170 28.954,1171 29.734,1172 29.526,1173 28.752,1174 28.722,1175 41.907,1176 2.873,1177 83.809,1178 28.069,1179 5.21,1180 5.612,1181 6.369,1182 5.212,1183 5.167,1184 7.651,1185 2.873,1186 17.856,1187 5.081,1188 6.652,1189 1.524,1190 1.565,1191 1.554,1192 1.513,1193 1.512,1194 2.206,1195 0.151,1196 4.411,1197 1.477,1198 4.134,1199 4.163,1200 4.11,1201 4.041,1202 7.475,1203 4.054,1204 3.784,1205 3.806,1206 3.727,1207 3.727,1208 6.351,1209 3.722,1210 3.312,1211 3.307,1212 3.272,1213 3.074,1214 5.107,1215 3.116,1216 3.132,1217 3.187,1218 3.039,1219 2.992,1220 4.585,1221 2.999,1222 2.952,1223 3.006,1224 2.867,1225 2.783,1226 4.155,1227 2.79,1228 2.628,1229 2.685,1230 2.493,1231 2.493,1232 4.121,1233 2.483,1234 2.533,1235 2.574,1236 2.44,1237 2.33,1238 3.523,1239 2.372,1240 2.053,1241 2.149,1242 1.881,1243 1.674,1244 3.272,1245 1.714,1246 0.244,1247 0.19,1248 0.352,1249 0.218,1250 0.167,1251 4.636,1252 0.245,1253 3.612,1254 0.076,1255 6.684,1256 0.569,1257 4.14,1258 0.162,1259 3.167,1260 4.651,1261 1.437,1262 10.803,1263 3.081,1264 2.075,1265 2.05,1266 2.131,1267 2.182,1268 1.216,1269 2.168,1270 1.785,1271 1.762,1272 1.898,1273 1.866,1274 0.991,1275 1.876,1276 1.162,1277 1.155,1278 1.274,1279 1.447,1280 0.3,1281 1.378,1282 1.102,1283 1.053,1284 1.261,1285 1.279,1286 0.254,1287 1.284,1288 0.912,1289 0.861,1290 1.148,1291 1.121,1292 0.17,1293 1.129,1294 0.605,1295 0.558,1296 0.872,1297 0.845,1299 0.86,1300 0.476,1301 0.447,1302 0.721,1303 0.686,1305 0.71,1308 0.335,1309 0.394,1311 0.338,1312 3.664,1314 4.99,1316 6.541,1318 8.196,1320 9.904,1327 9.087,1340 18.053,1341 39.991,1342 66.793,1343 80.18,1344 97.832,1345 105.342,1346 110.096,1347 22.675,1348 6.62,1349 63.08,1350 63.08,1351 18,1352 12.187,1353 4.17,1354 3.322,1355 23.56,1356 41,1357 31,1358 0.307,1359 111.453,1360 182.14,1361 263.704,1362 5573,1364 11.828,1365 0.696,1366 0.517,1367 11.828,1368 8.791,1369 8.254,1370 0.434,1371 0.271,1372 5.084,1373 7.992,1374 4.999,1375 4.131,1376 8.254,1377 5.144,1378 7.539,1379 0.279,1380 0.137,1381 7.539,1382 3.691,1383 6.371,1384 0.172,1385 0.07,1386 6.371,1387 2.6,1388 5.525,1389 0.11,1390 0.036,1391 5.525,1392 1.815,1393 4.766,1394 0.071,1395 0.019,1396 4.766,1397 1.266,1398 0.45,1399 51.495,1400 0.279,1401 16.561,1402 0.943,1403 92,1404 297.175,1405 100.536,1406 290.411,1407 396.51,1408 270,1409 110,1410 293.3,1411 118.207,1412 297.502,1413 438.63,1414 281,1415 4.301}
{0 CHEMBL464538,1 1.237,2 15.367,3 2.724,4 7.42,5 126.179,6 5.98,7 0.387,8 4.24,9 4.387,10 3.607,11 3.759,12 5.211,13 3.684,14 4.806,15 5.033,16 3.933,17 4.161,18 5.627,19 4.063,20 5.114,21 5.335,22 4.024,23 4.422,24 5.98,25 4.271,26 5.344,27 5.63,28 3.937,29 4.49,30 6.132,31 4.287,32 5.28,33 5.58,34 3.782,35 4.383,36 6.077,37 4.155,38 5.084,39 5.398,40 3.639,41 4.127,42 5.885,43 3.926,44 4.747,45 4.99,46 3.482,47 3.967,48 5.589,49 3.79,50 4.873,51 5.184,52 3.457,53 3.971,54 5.518,55 3.756,56 0.084,57 0.923,58 16.544,59 6.554,60 13.553,61 9.647,62 0.223,63 1.502,64 28.668,65 10.235,66 15.606,67 15.549,68 0.251,69 1.944,70 38.338,71 15.353,72 35.756,73 22.232,74 0.308,75 2.226,76 46.422,77 18.738,78 55.183,79 27.182,80 0.228,81 2.029,82 42.84,83 18.04,84 58.889,85 25.917,86 0.266,87 1.609,88 35.43,89 13.75,90 52.975,91 19.943,92 0.188,93 1.268,94 26.176,95 10.416,96 29.618,97 14.97,98 0.264,99 1.344,100 28.47,101 11.678,102 21.152,103 16.984,104 62,105 43,106 0.197,107 0.465,108 0.62,109 0.657,110 0.657,111 0.657,112 3.439,113 1.074,114 1.23,115 1.02,116 0.7,121 39.7,123 4,126 4,127 2,136 2,137 2,144 8,145 2,146 2,158 1,176 14,180 2,187 15,189 6,192 2,200 14,203 6,206 2,214 11,216 2,219 4,227 14,229 2,232 4,239 15,241 2,251 12,258 2,264 12,266 2,277 10,279 2,281 1612,282 19.496,283 19.496,284 19.496,285 19.496,286 19.496,287 17.711,288 27.411,289 11.518,290 19.728,291 15.171,292 15.171,293 15.171,294 15.171,295 15.171,296 12.402,297 31.13,298 5.204,299 15.591,300 4.85,301 3.167,302 2.191,303 1.956,304 1.956,305 1.956,306 4.1,311 1,312 1,313 935,314 5,318 246.932,325 2.458,326 18.002,329 1,330 0.67,331 0.83,332 0.9,333 1,334 0.83,335 0.5,336 0.82,337 62,338 461,339 4.486,340 3.727,341 7.292,342 4.293,343 3.374,344 3.854,345 2.178,346 12.402,347 3.106,348 4.485,349 3.727,350 7.292,351 4.293,352 3.374,353 3.853,354 1.26,355 12.402,356 3.106,357 3.875,358 3.627,359 5.406,360 3.587,361 2.577,362 3.211,363 1.26,364 7.131,365 2.602,366 3.833,367 2.709,368 5.37,369 3.49,370 2.496,371 3.192,372 0.245,373 7.034,374 2.478,375 3.591,376 2.685,377 4.993,378 3.268,379 2.236,380 2.787,381 0.245,382 5.938,383 2.294,384 3.045,385 1.927,386 4.826,387 2.701,388 1.72,389 2.176,391 4.992,392 1.684,393 3.026,394 1.92,395 4.794,396 2.662,397 1.677,398 2.153,400 4.925,401 1.648,402 2.597,403 1.451,404 3.449,405 2.069,406 1.08,407 1.5,409 2.275,410 1.067,411 2.593,412 1.45,413 3.414,414 2.054,415 1.066,416 1.5,418 2.275,419 1.052,420 2.5,421 1.107,422 3.414,423 2,424 1,425 1.431,427 1.993,428 1,429 2.5,430 1,431 3.395,432 2,433 1,434 1.426,436 1.786,437 1,438 1.929,439 1,440 3.234,441 1.798,442 0.802,443 0.88,445 1.704,446 0.799,447 1.715,448 0.973,449 2.903,450 1.43,451 0.4,452 0.482,454 0.907,455 0.409,456 0.974,457 0.243,458 2.662,459 0.64,460 -0.347,461 -0.42,463 -0.729,464 -0.342,465 0.97,466 -0.025,467 2.533,468 0.562,469 -0.45,470 -0.595,472 -0.785,473 -0.449,474 14.633,475 0.488,476 0.911,477 0.03,478 33.25,479 1.108,480 15.5,481 0.517,482 17.75,483 0.592,484 28.536,485 0.951,486 33.967,487 0.5,488 27.57,489 0.919,490 6.924,491 0.231,492 7.251,493 0.242,494 0.228,495 0.055,496 0.171,501 0.852,502 1.541,503 1.049,504 1.276,505 0.752,506 1.188,507 1.387,508 0.954,509 1.024,510 0.862,511 0.613,512 0.891,513 1.235,514 1.267,515 1.245,516 1.251,517 1.183,518 1.25,519 0.967,520 0.97,521 1.041,522 1.018,523 0.957,524 1.032,525 0.534,526 1.047,527 0.948,528 1.094,529 0.769,530 1.059,531 1.159,532 0.789,533 0.821,534 0.806,535 1.268,536 0.797,537 1.441,538 1.196,539 1.268,540 1.234,541 1.571,542 1.243,543 0.294,544 0.877,545 0.794,546 0.901,547 0.5,548 0.886,549 8.5,550 0.149,551 4.667,552 1.875,553 1.164,554 1.111,555 0.446,556 0.385,557 0.362,558 0.151,559 12879,560 23534,561 1.906,562 55.9,563 4,564 30,568 4,572 1.719,573 1.748,574 3.836,575 -0.891,582 84.144,583 1.237,584 2.921,585 3.896,586 4.131,587 4.131,588 4.131,589 3.298,590 3.574,591 4.879,592 4.058,593 1765.3,594 8.457,595 27238.9,600 413.947,601 1.665,602 4.797,603 0.274,604 0.007,605 0.109,606 0.043,607 0.03,608 0.035,609 0.015,610 0.016,611 0.015,612 0.005,613 0.549,614 0.67,615 0.88,616 1.435,617 160.507,618 0.089,619 -0.274,620 0.05,621 -0.111,622 -0.072,623 -0.05,624 -0.119,625 0.232,626 0.057,627 0.16,628 0.01,629 0.132,630 -0.128,631 -0.165,632 -0.205,633 -0.182,634 -0.129,635 -0.197,636 -0.072,637 0.008,638 -0.066,639 -0.024,640 -0.041,641 -0.041,642 0.077,643 -0.115,644 -0.008,645 -0.097,646 0.045,647 -0.063,648 0.029,649 0.118,650 0.149,651 0.137,652 0.079,653 0.15,654 -0.158,655 -0.158,656 -0.241,657 -0.2,658 -0.168,659 -0.222,660 0.333,661 0.051,662 0.144,663 0.073,664 0.082,665 0.091,666 1.339,667 5.384,668 0.4,669 37.547,670 0.977,671 1.128,672 -2.46,673 6.052,674 0.635,675 3.466,676 3.784,677 3.932,678 4.025,679 4.143,680 4.19,681 4.174,682 4.111,683 4.174,684 3.892,685 8.807,686 0.577,687 406.67,688 3.466,689 5.004,690 5.814,691 6.678,692 7.508,693 8.374,694 9.211,695 10.078,696 10.918,697 11.785,698 2.9,712 2,715 8,720 4,722 12,741 68,743 15,744 2,745 31,747 69,748 27,749 12,750 4,751 8,756 2,757 2,770 4,772 17,773 10,777 3,778 2,782 1,784 2,786 1,793 38,794 1,796 3,802 2,803 2,807 2,808 1,809 1,829 2,841 1,848 2,849 2,859 2,864 4,868 30,876 6,883 2,893 1.5,896 1,901 17.167,902 13.25,903 6.75,904 4.194,907 2.216,908 1.318,909 0.904,910 8.343,911 9.194,912 3.714,913 4.205,914 4.62,915 5.048,916 5.522,917 5.619,918 5.746,919 5.756,920 5.964,921 5.455,922 1,923 44,924 11.11,926 4.428,927 0.026,929 7.544,931 21.837,933 17.417,936 2.044,937 61.333,941 447.302,942 191.249,945 25.145,948 191.249,949 472.447,951 33.586,952 45.883,953 94.762,954 30.278,955 11.885,957 447.302,959 447.302,960 191.249,961 25.145,964 447.302,965 25.145,968 14.35,969 157.947,970 18.952,972 447.302,973 25.145,974 191.249,977 447.302,978 31.368,979 128.348,981 56.679,982 447.302,983 25.145,984 191.249,986 0.579,987 0.325,988 0.155,989 0.076,990 17,991 9,992 0.174,993 12,995 1,996 4.145,997 234.61,999 12,1000 107.207,1005 23.795,1006 10.519,1007 7.072,1009 25.145,1010 17.242,1015 4.946,1018 663.696,1019 40,1020 7.684,1024 12.384,1026 3.892,1028 0.327,1031 66.436,1032 76.68,1034 0.203,1035 0.48,1036 0.64,1037 0.679,1038 0.679,1039 0.679,1040 4.956,1041 1.08,1042 5.861,1043 4.925,1044 4.466,1045 4.89,1046 2.594,1047 6.713,1048 4.407,1049 6.169,1050 1.066,1051 7.47,1052 2.275,1053 4.369,1054 4.745,1055 2.373,1056 8.127,1057 4.19,1058 7.486,1059 1,1060 9.208,1061 2.275,1062 6.196,1063 6.973,1064 3.538,1065 11.072,1066 6.023,1067 8.842,1068 1,1069 11.027,1070 1.993,1071 6.899,1072 7.559,1073 3.878,1074 13.269,1075 6.576,1076 10.23,1077 0.802,1078 12.897,1079 1.786,1080 8.295,1081 9.343,1082 4.848,1083 15.891,1084 7.953,1085 11.642,1086 0.4,1087 14.803,1088 1.704,1089 9.309,1090 10.256,1091 5.423,1092 18.316,1093 8.824,1094 13.07,1095 -0.347,1096 16.732,1097 0.907,1098 10.572,1099 11.846,1100 6.303,1101 20.864,1102 10.036,1103 3.374,1104 -0.45,1105 18.678,1106 -0.729,1107 11.706,1108 12.932,1109 6.988,1110 23.354,1111 11.046,1112 3.374,1113 12.402,1114 20.635,1115 -0.785,1116 12.93,1117 14.422,1118 7.818,1119 25.881,1120 12.199,1121 2.577,1122 12.402,1123 22.601,1124 3.854,1125 14.112,1126 15.608,1127 8.553,1128 28.39,1129 13.271,1130 2.496,1131 7.131,1132 24.573,1133 3.853,1134 15.325,1135 17.04,1136 9.357,1137 30.911,1138 14.403,1139 2.236,1140 7.034,1141 26.549,1142 3.211,1143 16.526,1144 18.287,1145 10.115,1146 33.426,1147 15.505,1148 1.72,1149 5.938,1150 28.529,1151 3.192,1152 17.739,1153 19.685,1154 10.906,1155 35.944,1156 16.632,1157 1.677,1158 4.992,1159 30.51,1160 2.787,1161 18.948,1162 20.97,1163 11.676,1164 38.461,1165 17.747,1166 13065,1167 17744,1168 19.356,1169 43.171,1170 46.8,1171 46.488,1172 47.438,1173 45.792,1174 45.603,1175 56.891,1176 10.376,1177 131.53,1178 44.489,1179 5.401,1180 5.727,1181 7.009,1182 5.293,1183 5.374,1184 6.854,1185 3.677,1186 19.547,1187 5.106,1188 19.921,1189 1.51,1190 1.5,1191 1.53,1192 1.477,1193 1.471,1194 1.835,1195 0.335,1196 4.243,1197 1.435,1198 4.038,1199 4.085,1200 3.963,1201 3.94,1202 7.426,1203 3.94,1204 3.979,1205 4.026,1206 3.91,1207 3.884,1208 4.804,1209 3.884,1210 3.761,1211 3.817,1212 3.649,1213 3.598,1214 4.762,1215 3.602,1216 3.687,1217 3.749,1218 3.565,1219 3.536,1220 4.671,1221 3.534,1222 3.57,1223 3.612,1224 3.459,1225 3.442,1226 4.669,1227 3.438,1228 3.363,1229 3.439,1230 3.192,1231 3.217,1232 4.195,1233 3.202,1234 3.331,1235 3.411,1236 3.153,1237 3.153,1238 4.185,1239 3.143,1240 3.179,1241 3.264,1242 2.969,1243 3.016,1244 3.863,1245 2.993,1246 0.145,1247 0.12,1248 0.235,1249 0.138,1250 0.109,1251 4.486,1252 0.124,1253 3.727,1254 0.07,1255 7.292,1256 0.4,1257 4.293,1258 0.1,1259 3.374,1260 3.854,1261 2.178,1262 12.402,1263 3.106,1264 1.977,1265 1.942,1266 2.107,1267 2.109,1268 1.331,1269 2.111,1270 1.961,1271 1.925,1272 2.09,1273 2.1,1274 1.298,1275 2.101,1276 1.734,1277 1.676,1278 1.946,1279 1.924,1280 1.204,1281 1.935,1282 1.678,1283 1.614,1284 1.894,1285 1.846,1286 1.108,1287 1.867,1288 1.556,1289 1.511,1290 1.764,1291 1.711,1292 0.885,1293 1.729,1294 1.382,1295 1.309,1296 1.673,1297 1.574,1298 0.768,1299 1.613,1300 1.34,1301 1.259,1302 1.648,1303 1.554,1304 0.639,1305 1.591,1306 1.212,1307 1.129,1308 1.536,1309 1.415,1310 0.631,1311 1.461,1312 4.143,1314 5.46,1316 6.965,1318 8.551,1320 10.177,1322 8.691,1328 4.602,1335 1.566,1340 39.24,1341 84.144,1342 198.605,1343 264.928,1344 280.928,1345 280.928,1346 280.928,1347 77.32,1348 6.978,1349 17.07,1350 17.07,1351 12,1352 12.336,1353 4,1354 3.322,1355 70.073,1356 161,1357 144,1358 0.209,1359 249.143,1360 438.81,1361 599.668,1362 10443,1364 22.2,1365 0.74,1366 0.645,1367 22.2,1368 19.339,1369 14.175,1370 0.457,1371 0.358,1372 10.98,1373 13.83,1374 10.499,1375 8.909,1376 14.175,1377 11.101,1378 13.172,1379 0.306,1380 0.225,1381 13.172,1382 9.686,1383 9.828,1384 0.197,1385 0.123,1386 9.828,1387 6.165,1388 7.347,1389 0.134,1390 0.071,1391 7.347,1392 3.895,1393 5.042,1394 0.081,1395 0.036,1396 5.042,1397 2.218,1398 0.347,1399 87.27,1400 0.227,1401 29.419,1402 0.523,1403 148,1404 290.401,1405 154.988,1406 295.105,1407 400.8,1408 274,1409 167,1410 292.143,1411 175.988,1412 305.849,1413 431.08,1414 284,1415 7.523}
{0 CHEMBL465487,1 1.303,2 10.364,3 2.518,4 6.339,5 124.511,6 6.311,8 4.351,9 4.47,10 3.748,11 3.878,12 5.341,13 3.82,14 5.005,15 5.186,16 4.273,17 4.423,18 5.938,19 4.345,20 5.45,21 5.631,22 4.553,23 4.79,24 6.396,25 4.69,26 5.796,27 6.027,28 4.636,29 4.975,30 6.7,31 4.833,32 5.927,33 6.189,34 4.611,35 4.943,36 6.942,37 4.788,38 5.843,39 6.112,40 4.362,41 4.76,42 6.902,43 4.596,44 5.593,45 5.869,46 4.155,47 4.54,48 6.588,49 4.374,50 5.394,51 5.664,52 3.998,53 4.338,54 6.487,55 4.179,56 0.074,57 0.966,58 17.871,59 8.256,60 20.306,61 10.858,62 0.251,63 1.748,64 34.307,65 15.084,66 63.407,67 20.424,68 0.357,69 2.624,70 54.09,71 22.564,72 96.832,73 30.696,74 0.594,75 3.4,76 76.294,77 29.426,78 143.832,79 41.325,80 1.083,81 3.521,82 87.938,83 30.375,84 243.869,85 43.635,86 1.505,87 3.015,88 82.236,89 25.777,90 300.043,91 37.126,92 0.944,93 2.404,94 63.274,95 20.693,96 198.723,97 29.942,98 0.869,99 1.962,100 52.054,101 16.858,102 184.134,103 24.371,104 149,105 61,106 0.206,107 0.461,108 0.706,109 0.852,110 0.87,111 0.87,112 3.534,113 1.043,114 -4.06,115 -4,116 -3.79,121 37,122 6,123 7,124 3,125 4,129 2,138 2,158 2,160 1,170 1,174 1,176 21,177 1,180 5,183 1,185 5,187 35,188 1,192 8,197 8,200 42,201 1,206 11,211 7,214 32,215 2,219 12,222 2,224 12,227 27,228 2,231 1,232 10,236 1,237 5,239 23,240 3,244 6,245 1,247 1,249 7,251 18,252 2,255 1,256 4,257 1,259 1,261 5,264 16,265 1,268 1,269 1,272 2,274 4,275 1,277 9,278 2,281 1618,282 20.408,283 20.408,284 20.408,285 20.408,286 20.408,287 19.785,288 21.776,289 10.82,290 20.419,291 17.577,292 17.577,293 17.577,294 17.577,295 17.577,296 16.386,297 21.3,298 4.974,299 17.599,300 4.887,301 3.278,302 1.727,303 0.805,304 0.692,305 0.692,306 4.206,312 1,313 721,314 4.899,317 51.68,318 172.738,321 85.464,322 191.51,325 1.791,326 62.74,329 1,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.98,337 72,338 342,339 5.137,340 4.436,341 8.836,342 5.058,343 4.055,344 4.366,345 2.341,346 18.227,347 4.066,348 4.779,349 3.946,350 8.143,351 4.753,352 3.755,353 3.834,354 2.25,355 15.715,356 3.747,357 4.293,358 3.597,359 7.406,360 4.188,361 3.192,362 3.404,363 1.277,364 12.612,365 3.177,366 3.89,367 3.549,368 7.016,369 3.833,370 2.834,371 2.95,372 1.035,373 11.067,374 2.831,375 3.612,376 3.251,377 6.193,378 3.417,379 2.401,380 2.726,381 0.148,382 8.195,383 2.448,384 3.567,385 3.155,386 5.84,387 3.362,388 2.36,389 2.693,391 7.454,392 2.343,393 3.369,394 2.989,395 5.652,396 3.171,397 2.173,398 2.421,400 6.633,401 2.149,402 3.257,403 2.508,404 5.19,405 3.066,406 2.051,407 2.29,409 5.235,410 2.07,411 2.919,412 2.115,413 4.802,414 2.79,415 1.799,416 1.913,418 5.172,419 1.774,420 2.654,421 1.936,422 4.632,423 2.547,424 1.545,425 1.64,427 4.311,428 1.534,429 2.388,430 1.474,431 4.383,432 2.169,433 1.157,434 1.3,436 3.435,437 1.167,438 1.841,439 1.272,440 4.018,441 1.648,442 0.64,443 0.686,445 1.781,446 0.637,447 1.609,448 0.9,449 3.845,450 1.479,451 0.501,452 0.536,454 1.283,455 0.486,456 1.413,457 0.818,458 3.591,459 1.274,460 0.284,461 0.296,463 0.669,464 0.277,465 1.318,466 0.555,467 3.341,468 1.172,469 0.165,470 0.187,472 0.403,473 0.166,474 15.5,475 0.47,476 1.639,477 0.05,478 25.5,479 0.773,480 6,481 0.182,482 19.5,483 0.591,484 58.094,485 1.76,486 39.7,487 0.544,488 20.056,489 0.608,490 3.253,491 0.099,492 11.865,493 0.36,494 0.323,495 0.129,496 0.323,501 0.741,502 1.197,503 0.969,504 1.193,505 0.73,506 1.13,507 0.488,508 1.016,509 0.759,510 1.011,511 0.481,512 0.942,513 0.806,514 1.226,515 1.059,516 1.228,517 0.813,518 1.192,519 0.778,520 1.216,521 1.049,522 1.219,523 0.779,524 1.186,525 0.889,526 1.092,527 0.975,528 1.087,529 0.93,530 1.051,531 1.325,532 0.886,533 1.106,534 0.89,535 1.314,536 0.951,537 1.091,538 0.937,539 1.003,540 0.937,541 1.157,542 0.952,543 1.062,544 0.967,545 0.997,546 0.966,547 1.03,548 0.969,549 12,550 0.178,551 8.667,552 6.424,553 5.076,554 2.622,555 1.531,556 0.998,557 0.516,558 0.297,559 11395,560 27691,561 1.912,562 54.8,563 25,564 2,567 3,568 6,569 4,572 1.761,573 1.664,574 3.242,575 0.772,582 95.088,583 1.303,584 2.912,585 4.463,586 5.384,587 5.498,588 5.498,589 2.912,590 4.802,591 5.007,592 3.426,593 1808.71,594 8.823,595 24024.7,600 451.857,601 1.896,602 4.871,603 0.333,604 0.01,605 0.142,606 0.083,607 0.065,608 0.037,609 0.029,610 0.023,611 0.014,612 0.013,613 0.749,614 0.33,615 0.88,616 1.295,617 167.683,618 -0.065,619 0.13,620 0.013,621 0.125,622 -0.074,623 0.088,624 0.092,625 0.197,626 0.189,627 0.203,628 0.095,629 0.211,630 -0.067,631 -0.04,632 -0.088,633 -0.045,634 -0.058,635 -0.067,636 -0.037,637 -0.138,638 -0.095,639 -0.138,640 -0.045,641 -0.128,642 0.027,643 -0.112,644 -0.003,645 -0.104,646 0.019,647 -0.064,648 -0.1,649 0.034,650 -0.087,651 0.024,652 -0.087,653 -0.022,654 -0.047,655 -0.005,656 -0.014,657 -0.003,658 -0.057,659 -0.003,660 0.019,661 -0.032,662 -0.001,663 -0.031,664 0.052,665 -0.021,666 2.521,667 6.921,668 0.515,669 30.4,670 0.995,671 1.131,672 2.826,673 7.986,674 0.616,675 3.611,676 4.127,677 4.522,678 4.89,679 5.22,680 5.421,681 5.645,682 5.875,683 5.996,684 6.061,685 5.902,686 0.573,687 460.67,688 3.611,689 5.273,690 6.213,691 7.204,692 8.177,693 9.174,694 10.16,695 11.161,696 12.154,697 13.157,741 73,743 4,745 36,747 76,748 27,752 3,756 4,757 10,763 6,764 4,766 4,767 7,768 2,770 9,772 5,773 22,774 3,777 4,782 3,786 5,793 40,794 6,795 3,796 6,808 0.25,809 6,811 2,828 1,829 3,832 1,833 2,841 2,845 1,850 2,857 3,859 1,864 6,868 33,875 3,876 7,880 5,882 4,893 8.2,894 2,895 1,896 3,901 19.833,902 14.517,903 6.757,904 4.753,907 0.503,908 1.06,909 0.836,910 5.683,911 8.951,912 3.714,913 4.277,914 4.745,915 5.204,916 5.628,917 5.9,918 6.131,919 6.409,920 6.534,921 6.564,922 1,923 77,924 12.658,926 6.052,927 0.026,929 7.97,931 24.098,933 22.501,936 2.47,937 81.5,941 435.531,942 88.241,945 203.485,948 88.241,949 639.016,951 52.951,952 17.742,953 85.367,954 129.295,955 6.371,957 435.531,959 435.531,960 88.241,961 203.485,964 388.446,965 165.203,966 85.367,968 70.693,969 17.548,972 435.531,973 203.485,974 88.241,977 435.531,978 35.29,979 52.951,981 203.485,982 435.531,983 203.485,984 88.241,986 0.633,987 0.393,988 0.209,989 0.122,990 34,991 18,992 0.053,993 4,994 3,995 1.353,996 3.718,997 357.038,998 0.353,999 17,1000 164.465,1005 24.764,1006 7.573,1007 3.13,1009 203.485,1017 128.05,1018 727.257,1019 40,1024 38.804,1028 0.512,1031 72.636,1032 82.56,1034 0.21,1035 0.47,1036 0.721,1037 0.87,1038 0.888,1039 0.888,1040 5.142,1041 2.051,1042 6.368,1043 6.633,1044 4.812,1045 4.963,1046 3.148,1047 7.473,1048 4.812,1049 6.425,1050 1.799,1051 8.142,1052 5.235,1053 5.056,1054 5.231,1055 2.778,1056 9.243,1057 5.055,1058 7.843,1059 1.545,1060 10.04,1061 5.172,1062 6.797,1063 7.072,1064 4.358,1065 12.467,1066 6.798,1067 9.294,1068 1.157,1069 12.013,1070 4.311,1071 7.775,1072 8.062,1073 4.678,1074 14.99,1075 7.776,1076 10.783,1077 0.64,1078 14.034,1079 3.435,1080 9.197,1081 9.575,1082 5.829,1083 17.923,1084 9.199,1085 12.297,1086 0.501,1087 16.087,1088 1.781,1089 10.43,1090 10.835,1091 6.438,1092 20.68,1093 10.434,1094 13.833,1095 0.284,1096 18.163,1097 1.283,1098 11.791,1099 12.279,1100 7.415,1101 23.557,1102 11.797,1103 4.055,1104 0.165,1105 20.257,1106 0.669,1107 13.111,1108 13.645,1109 8.148,1110 26.391,1111 13.119,1112 3.755,1113 18.227,1114 22.364,1115 0.403,1116 14.469,1117 15.08,1118 9.048,1119 29.263,1120 14.479,1121 3.192,1122 15.715,1123 24.482,1124 4.366,1125 15.821,1126 16.493,1127 9.837,1128 32.127,1129 15.833,1130 2.834,1131 12.612,1132 26.608,1133 3.834,1134 17.186,1135 17.934,1136 10.703,1137 35.004,1138 17.201,1139 2.401,1140 11.067,1141 28.741,1142 3.404,1143 18.552,1144 19.369,1145 11.517,1146 37.882,1147 18.57,1148 2.36,1149 8.195,1150 30.879,1151 2.95,1152 19.923,1153 20.817,1154 12.367,1155 40.765,1156 19.944,1157 2.173,1158 7.454,1159 33.022,1160 2.726,1161 21.297,1162 22.265,1163 13.194,1164 43.65,1165 21.321,1166 11431,1167 17818,1168 21.383,1169 44.955,1170 58.76,1171 61.126,1172 64.206,1173 57.851,1174 57.822,1175 62.484,1176 14.103,1177 204.382,1178 57.745,1179 6.137,1180 6.436,1181 8.164,1182 6.058,1183 6.055,1184 7.058,1185 3.94,1186 28.125,1187 6.066,1188 25.077,1189 1.632,1190 1.698,1191 1.783,1192 1.607,1193 1.606,1194 1.736,1195 0.392,1196 5.677,1197 1.604,1198 4.151,1199 4.174,1200 4.09,1201 4.083,1202 7.474,1203 4.081,1204 3.933,1205 3.97,1206 3.84,1207 3.849,1208 7.429,1209 3.841,1210 3.72,1211 3.76,1212 3.609,1213 3.593,1214 7.423,1215 3.588,1216 3.56,1217 3.596,1218 3.464,1219 3.412,1220 6.452,1221 3.413,1222 3.441,1223 3.496,1224 3.318,1225 3.285,1226 6.446,1227 3.277,1228 3.375,1229 3.425,1230 3.228,1231 3.198,1232 6.351,1233 3.196,1234 3.351,1235 3.394,1236 3.201,1237 3.146,1238 4.478,1239 3.153,1240 3.173,1241 3.249,1242 2.977,1243 2.968,1244 4.292,1245 2.955,1246 0.143,1247 0.123,1248 0.245,1249 0.14,1250 0.113,1251 5.137,1252 0.121,1253 4.436,1254 0.065,1255 8.836,1256 0.506,1257 5.058,1258 0.113,1259 4.055,1260 4.366,1261 2.341,1262 18.227,1263 4.066,1264 2.066,1265 2.044,1266 2.189,1267 2.157,1268 1.623,1269 2.168,1270 1.873,1271 1.835,1272 2.056,1273 1.994,1274 1.477,1275 2.016,1276 1.759,1277 1.721,1278 1.946,1279 1.905,1280 1.277,1281 1.918,1282 1.517,1283 1.474,1284 1.77,1285 1.718,1286 1.061,1287 1.724,1288 1.485,1289 1.436,1290 1.739,1291 1.667,1292 1.013,1293 1.695,1294 1.421,1295 1.363,1296 1.684,1297 1.627,1298 0.964,1299 1.649,1300 1.282,1301 1.231,1302 1.589,1303 1.533,1304 0.752,1305 1.546,1306 1.186,1307 1.115,1308 1.539,1309 1.439,1310 0.707,1311 1.472,1312 4.29,1314 5.759,1315 2.398,1316 7.438,1317 5.043,1318 9.228,1319 7.402,1320 11.084,1322 12.082,1327 31.403,1328 2.762,1332 -1.555,1334 -2.508,1340 41.825,1341 95.088,1342 212.578,1343 325.779,1344 393.063,1345 401.328,1346 401.328,1347 141.218,1348 8.448,1349 111.9,1350 111.9,1351 23,1352 13.616,1353 2.322,1354 2.322,1355 53.988,1356 116,1357 145,1358 0.243,1359 252.458,1360 468.4,1361 607.757,1362 49461,1364 24.723,1365 0.749,1366 0.633,1367 24.723,1368 20.903,1369 15.119,1370 0.42,1371 0.348,1372 12.423,1373 14.704,1374 11.838,1375 9.738,1376 15.119,1377 12.515,1378 16.157,1379 0.265,1380 0.208,1381 16.157,1382 12.672,1383 14.067,1384 0.155,1385 0.119,1386 14.067,1387 10.865,1388 11.872,1389 0.09,1390 0.066,1391 11.872,1392 8.654,1393 10.289,1394 0.056,1395 0.035,1396 10.289,1397 6.495,1398 0.362,1399 94.176,1400 0.216,1401 29.272,1402 0.737,1403 194,1404 465.656,1405 206.843,1406 442.49,1407 581.76,1408 406,1409 249,1410 406.485,1411 260.296,1412 414.306,1413 619.3,1414 388,1415 4.587}
{0 CHEMBL465514,1 1.335,2 12.027,3 2.251,4 5.067,5 137.285,6 6.658,8 4.398,9 4.511,10 3.844,11 3.955,12 5.435,13 3.901,14 5.049,15 5.229,16 4.359,17 4.481,18 6.02,19 4.411,20 5.477,21 5.644,22 4.639,23 4.826,24 6.532,25 4.743,26 5.805,27 6.02,28 4.713,29 4.984,30 6.845,31 4.866,32 5.891,33 6.136,34 4.677,35 4.932,36 7.068,37 4.801,38 5.774,39 6.026,40 4.449,41 4.756,42 6.925,43 4.622,44 5.561,45 5.804,46 4.286,47 4.618,48 6.673,49 4.474,50 5.507,51 5.772,52 4.19,53 4.531,54 6.533,55 4.38,56 0.021,57 1.011,58 17.517,59 8.637,60 18.04,61 11.129,62 0.204,63 1.819,64 34.672,65 15.682,66 79.136,67 20.957,68 0.354,69 2.682,70 54.267,71 22.891,72 135.494,73 30.292,74 0.704,75 3.431,76 77.26,77 29.424,78 210.377,79 40.219,80 1.301,81 3.491,82 86.322,83 29.953,84 346.348,85 41.919,86 1.408,87 2.98,88 78.096,89 25.408,90 347.064,91 35.43,92 0.951,93 2.522,94 61.933,95 21.671,96 251.203,97 30.236,98 0.799,99 2.357,100 58.659,101 20.368,102 206.196,103 28.853,104 203,105 67,106 0.207,107 0.424,108 0.655,109 0.832,110 0.861,111 0.861,112 3.643,113 1.016,114 -3.64,115 -3.6,116 -3.43,121 39,122 7,123 7,124 4,125 4,138 2,158 5,160 1,170 1,174 1,176 22,177 1,180 11,183 1,185 1,187 36,188 2,192 18,197 2,200 42,206 19,207 1,214 34,215 1,218 3,219 23,222 1,224 1,227 29,228 1,231 2,232 14,237 1,239 28,240 2,243 2,244 11,249 2,251 24,252 2,255 1,256 9,261 2,264 20,265 3,268 2,269 11,270 1,274 3,277 11,278 2,281 2356,282 22.77,283 22.77,284 22.77,285 22.77,286 22.77,287 21.784,288 31.809,289 12.065,290 22.624,291 19.518,292 19.518,293 19.518,294 19.518,295 19.518,296 17.603,297 39.538,298 5.536,299 19.224,300 4.932,301 3.537,302 2.046,303 0.903,304 0.718,305 0.718,306 4.314,312 1,313 933,314 5.477,317 61.441,318 209.808,321 102.37,322 232.719,325 2.031,326 79.046,329 0.75,330 0.83,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.88,337 81,338 445,339 5.144,340 4.434,341 8.836,342 5.059,343 4.055,344 4.398,345 2.341,346 18.227,347 4.072,348 4.796,349 4.125,350 8.143,351 4.759,352 3.755,353 3.872,354 2.242,355 15.715,356 3.769,357 4.345,358 3.797,359 7.406,360 4.203,361 3.193,362 3.534,363 2.178,364 12.613,365 3.224,366 3.959,367 3.761,368 7.017,369 3.862,370 2.851,371 3.093,372 2.178,373 11.073,374 2.88,375 3.885,376 3.584,377 6.194,378 3.714,379 2.702,380 3.021,381 1.277,382 8.206,383 2.726,384 3.636,385 3.532,386 5.873,387 3.434,388 2.412,389 2.771,390 1.277,391 7.833,392 2.46,393 3.623,394 3.315,395 5.776,396 3.398,397 2.361,398 2.758,399 0.236,400 7.431,401 2.437,402 3.453,403 3.114,404 5.654,405 3.186,406 2.141,407 2.57,409 6.658,410 2.225,411 3.196,412 2.742,413 5.19,414 3.003,415 1.968,416 2.223,418 5.644,419 2.026,420 3.076,421 2.597,422 5.033,423 2.84,424 1.798,425 2.093,427 5.215,428 1.866,429 2.836,430 2.098,431 4.678,432 2.543,433 1.503,434 1.791,436 4.219,437 1.555,438 2.377,439 1.885,440 4.341,441 2.141,442 1.128,443 1.277,445 3.303,446 1.136,447 2.277,448 1.487,449 4.011,450 1.994,451 0.971,452 1.134,454 2.241,455 0.977,456 1.86,457 1.291,458 3.842,459 1.624,460 0.578,461 0.666,463 1.645,464 0.6,465 1.716,466 1.18,467 3.6,468 1.471,469 0.419,470 0.486,472 1.08,473 0.437,474 17.333,475 0.468,476 1.835,477 0.05,478 32.25,479 0.872,480 10.5,481 0.284,482 21.75,483 0.588,484 61.688,485 1.667,486 43.267,487 0.562,488 29.529,489 0.798,490 4.657,491 0.126,492 12.266,493 0.332,494 0.337,495 0.115,496 0.346,501 0.553,502 1.193,503 0.874,504 1.189,505 0.557,506 1.106,507 0.409,508 0.978,509 0.678,510 0.972,511 0.441,512 0.89,513 0.865,514 1.217,515 1.056,516 1.217,517 0.889,518 1.179,519 0.93,520 1.162,521 1.068,522 1.164,523 0.936,524 1.145,525 0.912,526 1.061,527 0.984,528 1.059,529 0.952,530 1.038,531 1.247,532 0.885,533 1.076,534 0.888,535 1.272,536 0.941,537 0.992,538 1.037,539 1.076,540 1.046,541 1.004,542 1.073,543 0.898,544 0.941,545 0.947,546 0.945,547 0.886,548 0.954,549 13.5,550 0.289,551 9.333,552 6.924,553 5.316,554 2.789,555 1.709,556 1.067,557 0.784,558 0.481,559 16431,560 44174,561 1.891,562 51.9,563 26,567 1,568 13,572 1.786,573 1.644,574 3.464,575 -0.419,582 102.807,583 1.335,584 2.73,585 4.221,586 5.364,587 5.549,588 5.549,589 3.062,590 4.993,591 5.171,592 3.672,593 2445.72,594 9.135,595 36108.9,600 482.543,601 1.859,602 5.034,603 0.338,604 0.009,605 0.139,606 0.082,607 0.063,608 0.036,609 0.028,610 0.021,611 0.016,612 0.012,613 0.744,614 0.33,615 0.88,616 1.516,617 197.536,618 -0.021,619 0.079,620 0.022,621 0.078,622 -0.022,623 0.061,624 0.111,625 0.185,626 0.224,627 0.195,628 0.09,629 0.226,630 -0.081,631 -0.072,632 -0.112,633 -0.077,634 -0.076,635 -0.097,636 -0.076,637 -0.114,638 -0.107,639 -0.116,640 -0.073,641 -0.118,642 0.056,643 -0.084,645 -0.081,646 0.047,647 -0.055,648 -0.092,649 0.057,650 -0.058,651 0.05,652 -0.08,653 0.009,654 -0.026,655 -0.055,656 -0.094,657 -0.063,658 -0.014,659 -0.087,660 -0.014,661 0.014,662 0.024,663 0.017,664 -0.011,665 0.026,666 2.691,667 6.996,668 0.459,669 40.732,670 1,671 1.127,672 2.405,673 5.784,674 0.629,675 3.714,676 4.22,677 4.595,678 4.942,679 5.252,680 5.455,681 5.68,682 5.916,683 6.047,684 6.142,685 6.872,686 0.591,687 512.7,688 3.714,689 5.371,690 6.301,691 7.283,692 8.246,693 9.234,694 10.212,695 11.206,696 12.192,697 13.191,741 77,743 7,745 40,747 80,748 30,752 4,756 4,757 10,763 7,764 4,766 4,767 5,768 2,770 7,772 8,773 22,774 4,777 7,782 6,786 8,793 40,794 7,795 1,796 7,808 0.25,809 7,828 1,829 3,832 1,833 2,841 5,845 1,850 2,857 1,859 1,864 7,868 37,875 1,876 7,880 4,882 4,893 9.1,895 1,896 6,901 22.5,902 16.033,903 7.618,904 5.078,907 0.643,908 1.074,909 0.871,910 6.484,911 9.299,912 3.871,913 4.431,914 4.89,915 5.323,916 5.768,917 6.006,918 6.263,919 6.553,920 6.704,921 6.756,922 1,923 84,924 14.245,926 6.843,927 0.026,929 8.099,931 26.58,933 24.326,936 2.599,937 96.167,941 459.073,942 112.467,945 193.553,948 112.467,949 652.626,951 61.776,952 17.742,954 220.13,955 6.371,957 459.073,959 459.073,960 112.467,961 193.553,964 459.073,965 193.553,968 79.518,969 32.948,972 459.073,973 193.553,974 112.467,977 459.073,978 50.69,979 61.776,981 193.553,982 459.073,983 193.553,984 112.467,986 0.632,987 0.394,988 0.202,989 0.112,990 36,991 20,992 0.075,993 6,994 3,995 1.353,996 4.024,997 407.507,998 0.353,999 17,1000 190.75,1005 27.779,1006 8.636,1007 3.712,1009 193.553,1017 42.683,1018 765.092,1019 47,1024 78.358,1028 -0.633,1031 76.963,1032 86.77,1034 0.213,1035 0.436,1036 0.674,1037 0.856,1038 0.885,1039 0.885,1040 5.278,1041 2.141,1042 6.45,1043 7.431,1044 4.905,1045 5.118,1046 3.673,1047 7.535,1048 4.934,1049 6.562,1050 1.968,1051 8.213,1052 6.658,1053 5.13,1054 5.38,1055 3.381,1056 9.269,1057 5.163,1058 7.972,1059 1.798,1060 10.098,1061 5.644,1062 6.866,1063 7.232,1064 4.912,1065 12.488,1066 6.905,1067 9.415,1068 1.503,1069 12.059,1070 5.215,1071 7.824,1072 8.208,1073 5.248,1074 14.997,1075 7.864,1076 10.893,1077 1.128,1078 14.068,1079 4.219,1080 9.239,1081 9.72,1082 6.36,1083 17.928,1084 9.281,1085 12.398,1086 0.971,1087 16.113,1088 3.303,1089 10.46,1090 10.971,1091 6.96,1092 20.682,1093 10.502,1094 13.924,1095 0.578,1096 18.182,1097 2.241,1098 11.815,1099 12.41,1100 7.906,1101 23.558,1102 11.859,1103 4.055,1104 0.419,1105 20.271,1106 1.645,1107 13.127,1108 13.772,1109 8.623,1110 26.392,1111 13.173,1112 3.755,1113 18.227,1114 22.374,1115 1.08,1116 14.481,1117 15.204,1118 9.497,1119 29.263,1120 14.53,1121 3.193,1122 15.715,1123 24.489,1124 4.398,1125 15.83,1126 16.616,1127 10.268,1128 32.127,1129 15.881,1130 2.851,1131 12.613,1132 26.612,1133 3.872,1134 17.192,1135 18.057,1136 11.111,1137 35.004,1138 17.247,1139 2.702,1140 11.073,1141 28.744,1142 3.534,1143 18.556,1144 19.494,1145 11.907,1146 37.882,1147 18.614,1148 2.412,1149 8.206,1150 30.881,1151 3.093,1152 19.927,1153 20.944,1154 12.737,1155 40.765,1156 19.988,1157 2.361,1158 7.833,1159 33.024,1160 3.021,1161 21.299,1162 22.395,1163 13.545,1164 43.65,1165 21.365,1166 16446,1167 26962,1168 23.581,1169 48.409,1170 65.832,1171 69.897,1172 70.789,1173 64.168,1174 64.074,1175 71.871,1176 23.462,1177 223.265,1178 65.212,1179 6.144,1180 6.319,1181 8,1182 6.059,1183 6.055,1184 7.109,1185 3.925,1186 28.126,1187 6.072,1188 29.713,1189 1.646,1190 1.747,1191 1.77,1192 1.604,1193 1.602,1194 1.797,1195 0.587,1196 5.582,1197 1.63,1198 4.152,1199 4.172,1200 4.098,1201 4.083,1202 7.475,1203 4.083,1204 3.936,1205 3.968,1206 3.852,1207 3.85,1208 7.437,1209 3.845,1210 3.8,1211 3.83,1212 3.709,1213 3.664,1214 7.425,1215 3.667,1216 3.634,1217 3.669,1218 3.545,1219 3.504,1220 7.424,1221 3.506,1222 3.5,1223 3.543,1224 3.397,1225 3.349,1226 7.423,1227 3.346,1228 3.439,1229 3.483,1230 3.339,1231 3.279,1232 7.421,1233 3.279,1234 3.364,1235 3.413,1236 3.203,1237 3.192,1238 6.351,1239 3.191,1240 3.24,1241 3.285,1242 3.114,1243 3.032,1244 4.467,1245 3.037,1246 0.129,1247 0.111,1248 0.221,1249 0.126,1250 0.101,1251 5.144,1252 0.11,1253 4.434,1254 0.059,1255 8.836,1256 0.456,1257 5.059,1258 0.102,1259 4.055,1260 4.398,1261 2.341,1262 18.227,1263 4.072,1264 2.062,1265 2.043,1266 2.174,1267 2.151,1268 1.582,1269 2.159,1270 1.874,1271 1.838,1272 2.051,1273 1.998,1274 1.459,1275 2.016,1276 1.777,1277 1.746,1278 1.953,1279 1.925,1280 1.256,1281 1.932,1282 1.669,1283 1.63,1284 1.879,1285 1.837,1286 1.161,1287 1.849,1288 1.485,1289 1.434,1290 1.762,1291 1.661,1292 1.005,1293 1.695,1294 1.432,1295 1.386,1296 1.689,1297 1.633,1298 0.931,1299 1.648,1300 1.393,1301 1.343,1302 1.643,1303 1.598,1304 0.882,1305 1.611,1306 1.206,1307 1.159,1308 1.515,1309 1.449,1310 0.682,1311 1.462,1312 4.394,1314 5.855,1315 2.398,1316 7.52,1317 5.043,1318 9.294,1319 7.402,1320 11.135,1322 12.867,1327 9.165,1328 1.336,1332 -1.596,1334 -3.331,1340 45.54,1341 102.807,1342 210.231,1343 325.02,1344 412.994,1345 427.258,1346 427.258,1347 185.466,1348 8.656,1349 122.65,1350 122.65,1351 23,1352 13.653,1353 3,1354 3,1355 64.684,1356 150,1357 184,1358 0.22,1359 276.449,1360 521.17,1361 666.296,1362 65997,1364 27.878,1365 0.753,1366 0.626,1367 27.878,1368 23.156,1369 16.923,1370 0.423,1371 0.339,1372 13.454,1373 16.445,1374 12.774,1375 10.534,1376 16.923,1377 13.553,1378 17.984,1379 0.268,1380 0.202,1381 17.984,1382 13.532,1383 15.554,1384 0.159,1385 0.114,1386 15.554,1387 11.142,1388 12.876,1389 0.093,1390 0.062,1391 12.876,1392 8.655,1393 10.649,1394 0.056,1395 0.033,1396 10.649,1397 6.189,1398 0.334,1399 105.58,1400 0.206,1401 32.61,1402 0.639,1403 214,1404 582.563,1405 228.947,1406 551.415,1407 714.98,1408 504,1409 272,1410 491.848,1411 285.621,1412 499.934,1413 738.77,1414 467,1415 4.736}
{0 CHEMBL468000,1 1.472,2 8.483,3 4.505,4 20.292,5 114.625,6 7.119,7 0.364,8 4.106,9 4.228,10 3.637,11 3.696,12 5.162,13 3.658,14 4.684,15 4.857,16 4.083,17 4.168,18 5.669,19 4.108,20 5.029,21 5.223,22 4.23,23 4.388,24 6.02,25 4.304,26 5.209,27 5.466,28 4.261,29 4.403,30 6.19,31 4.307,32 5.098,33 5.312,34 4.219,35 4.367,36 6.148,37 4.294,38 5.085,39 5.296,40 4.207,41 4.372,42 6.159,43 4.281,44 5.131,45 5.375,46 4.04,47 4.325,48 6.097,49 4.202,50 5.043,51 5.294,52 3.895,53 4.193,54 6.136,55 4.034,56 0.049,57 0.86,58 11.909,59 5.452,60 10.665,61 7.149,62 0.089,63 1.473,64 22.387,65 9.995,66 18.923,67 13.462,68 0.199,69 2.01,70 32.995,71 13.328,72 42.222,73 18.101,74 0.439,75 2.187,76 42.363,77 15.05,78 65.941,79 21.529,80 0.432,81 2.003,82 36.812,83 12.237,84 66.167,85 17.244,86 0.364,87 2.042,88 35.745,89 13.294,90 63.338,91 18.512,92 0.38,93 2.077,94 38.841,95 13.926,96 57.156,97 19.418,98 0.545,99 1.955,100 36.098,101 14.36,102 95.791,103 19.753,104 26,105 51,106 0.243,107 0.607,108 0.757,109 0.823,110 0.835,111 0.835,112 3.41,113 0.946,114 -5.58,115 -5.46,116 -5.09,121 43.6,122 2,123 6,124 1,125 1,138 1,140 1,144 4,145 3,146 2,148 1,149 1,158 1,165 1,166 1,167 1,176 15,179 1,180 6,185 4,187 22,189 2,192 5,197 4,200 15,203 2,206 10,208 2,209 3,211 9,214 16,216 4,219 7,224 5,227 15,229 3,232 8,235 1,236 1,237 7,238 1,239 22,241 4,249 2,251 19,253 1,261 4,264 19,266 2,274 1,277 8,281 1263,282 19.24,283 19.24,284 19.24,285 19.24,286 19.24,287 17.226,288 24.712,289 10.864,290 19.454,291 16.309,292 16.309,293 16.309,294 16.309,295 16.309,296 13.207,297 29.769,298 5.19,299 16.718,300 4.309,301 2.099,302 1.191,303 0.791,304 0.718,305 0.718,306 4.116,311 1,312 1,313 544,314 2.915,318 249.401,322 234.292,325 1.12,326 35.032,329 0.75,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.86,337 62,338 246,339 4.74,340 3.822,341 7.219,342 4.446,343 3.46,344 4.386,345 1.36,346 12.786,347 3.413,348 4.425,349 3.376,350 6.815,351 4.21,352 3.218,353 3.895,354 0.986,355 11.298,356 3.191,357 4.138,358 3.161,359 6.54,360 3.91,361 2.921,362 3.604,363 0.765,364 10.243,365 2.887,366 3.922,367 2.901,368 6.026,369 3.516,370 2.545,371 3.18,373 8.388,374 2.47,375 3.712,376 2.743,377 5.749,378 3.354,379 2.377,380 2.984,382 7.748,383 2.319,384 3.589,385 2.657,386 5.329,387 3.167,388 2.228,389 2.867,391 6.534,392 2.081,393 3.347,394 2.376,395 5.066,396 2.97,397 2.014,398 2.615,400 5.868,401 1.911,402 3.176,403 2.188,404 4.997,405 2.793,406 1.839,407 2.302,409 5.576,410 1.748,411 2.521,412 1.715,413 4.452,414 2.425,415 1.432,416 1.519,418 3.83,419 1.42,420 2.5,421 1.483,422 3.883,423 2.246,424 1.279,425 1.5,427 3.078,428 1.23,429 2.43,430 1.253,431 3.654,432 2,433 1,434 1.419,436 2.421,437 1,438 2.03,439 1,440 3.414,441 1.909,442 0.931,443 0.995,445 2.275,446 0.908,447 1.421,448 0.574,449 3.372,450 1.094,451 0.132,452 0.152,454 0.39,455 0.126,456 1.211,457 0.491,458 3.302,459 0.976,460 0.025,461 0.029,463 0.072,464 0.024,465 1.128,466 0.32,467 3.013,468 0.839,469 -0.097,470 -0.115,472 -0.232,473 -0.088,474 13.819,475 0.477,476 1.006,477 0.035,478 34.25,479 1.181,480 16,481 0.552,482 18.25,483 0.629,484 32.152,485 1.109,486 31.181,487 0.567,488 25.43,489 0.877,490 5.882,491 0.203,492 7.956,493 0.274,494 0.146,495 0.036,496 0.398,499 1,501 0.732,502 0.989,503 0.823,504 0.96,505 0.737,506 0.915,507 0.514,508 0.994,509 0.719,510 0.983,511 0.473,512 0.905,513 0.877,514 1.162,515 1.018,516 1.16,517 0.852,518 1.121,519 0.752,520 0.852,521 0.795,522 0.859,523 0.702,524 0.832,525 1.215,526 0.845,527 1.107,528 0.884,529 1.03,530 0.946,531 0.877,532 1.059,533 1.058,534 1.111,535 0.803,536 1.107,537 1.049,538 0.959,539 1.138,540 1.038,541 0.99,542 1.081,543 0.632,544 1.094,545 1.014,546 1.245,547 0.734,548 1.215,549 7,550 0.049,551 3.556,552 3.188,553 3.191,554 1.674,555 1.23,556 0.899,557 0.373,558 0.241,559 9131,560 20957,561 2.12,562 47.3,563 13,564 4,567 3,568 4,569 2,572 1.731,573 1.944,574 3.022,575 0.823,582 80.969,583 1.472,584 3.682,585 4.59,586 4.99,587 5.063,588 5.063,589 2.414,590 4.487,591 4.829,592 3.185,593 1293.17,594 8.477,595 16293,597 1,600 317.975,601 1.662,602 4.767,603 0.212,604 0.007,605 0.07,606 0.057,607 0.056,608 0.03,609 0.023,610 0.021,611 0.011,612 0.015,613 0.502,614 0.33,615 0.75,616 0.605,617 141.134,618 -0.065,619 0.062,620 0.032,621 0.106,622 -0.072,623 0.089,624 0.072,625 -0.009,626 0.16,627 0.067,628 0.085,629 0.114,630 -0.059,631 -0.159,632 -0.096,633 -0.147,634 -0.065,635 -0.133,636 0.072,637 0.032,638 0.177,639 0.094,640 0.06,641 0.141,642 -0.206,643 0.063,644 -0.141,645 0.043,646 -0.143,647 -0.019,648 -0.003,649 -0.102,650 -0.115,651 -0.139,652 0.025,653 -0.143,654 -0.127,655 -0.02,656 -0.168,657 -0.081,658 -0.106,659 -0.117,660 0.316,661 -0.114,662 -0.038,663 -0.229,664 0.277,665 -0.204,666 1.946,667 5.643,668 0.828,669 22.364,670 0.995,671 1.128,672 4.355,673 18.964,674 0.664,675 3.526,676 3.951,677 4.277,678 4.673,679 5.024,680 5.247,681 5.464,682 5.737,683 5.875,684 5.971,685 5.284,686 0.627,687 391.53,688 3.526,689 5.13,690 6.023,691 6.967,692 7.883,693 8.834,694 9.762,695 10.716,696 11.649,697 12.605,698 5.5,702 1,707 1,708 1,715 4,716 1,720 7,722 12,733 1,740 1,741 55,743 14,744 1,745 33,747 59,748 24,749 11,750 2,751 4,752 3,756 5,757 11,763 2,764 1,766 1,767 6,768 1,770 6,772 14,773 10,774 1,777 2,785 1,786 3,790 1,791 1,793 26,794 5,795 3,796 5,802 3,808 0.4,809 1,822 1,829 5,833 3,839 1,849 1,850 1,857 1,859 2,864 2,866 1,868 29,869 1,875 1,876 6,880 1,882 1,892 1,893 1.8,895 1,901 14.917,902 10.493,903 6,904 3.55,907 3.058,908 1.364,909 0.994,910 4.238,911 11.459,912 3.738,913 4.394,914 4.977,915 5.615,916 6.231,917 6.642,918 7.103,919 7.601,920 7.984,921 8.263,922 0.833,923 56,924 10.858,926 4.929,927 0.026,929 7.716,931 21.065,933 18.825,936 2.216,937 64.25,939 1,940 1,941 270.735,942 103.224,943 66.468,945 42.683,946 14.96,948 103.224,949 313.419,950 81.428,951 17.65,952 15.207,953 70.802,954 62.226,955 44.162,956 17.288,957 270.735,959 270.735,960 169.692,961 57.643,964 262.153,965 66.226,968 52.4,969 100.507,970 16.786,972 285.695,973 109.152,974 103.224,977 270.735,978 47.669,979 55.555,981 124.112,982 270.735,983 124.112,984 103.224,986 0.606,987 0.353,988 0.206,989 0.124,990 29,991 13,992 0.017,993 1,994 3,995 1.25,996 3.764,997 294.582,998 0.25,999 24,1000 134.881,1005 18.664,1006 6.585,1007 3.044,1009 124.112,1010 6.497,1011 4.926,1015 5.082,1017 75.581,1018 498.071,1019 41,1027 4.909,1028 2.063,1031 54.749,1032 62.026,1034 0.255,1035 0.637,1036 0.794,1037 0.863,1038 0.876,1039 0.876,1040 5.056,1041 1.839,1042 6.08,1043 5.868,1044 4.635,1045 5.081,1046 1.93,1047 7.011,1048 4.588,1049 6.311,1050 1.432,1051 7.714,1052 5.576,1053 4.511,1054 5.085,1055 1.06,1056 8.231,1057 4.443,1058 7.671,1059 1.279,1060 9.451,1061 3.83,1062 6.382,1063 7.306,1064 2.004,1065 11.342,1066 6.306,1067 9.06,1068 1,1069 11.247,1070 3.078,1071 7.013,1072 8.041,1073 1.679,1074 13.331,1075 6.927,1076 10.477,1077 0.931,1078 13.08,1079 2.421,1080 8.437,1081 9.811,1082 2.278,1083 16.028,1084 8.343,1085 11.913,1086 0.132,1087 14.939,1088 2.275,1089 9.396,1090 10.891,1091 2.248,1092 18.326,1093 9.294,1094 13.366,1095 0.025,1096 16.815,1097 0.39,1098 10.667,1099 12.479,1100 2.696,1101 20.893,1102 10.557,1103 3.46,1104 -0.097,1105 18.706,1106 0.072,1107 11.77,1108 13.738,1109 2.825,1110 23.319,1111 11.65,1112 3.218,1113 12.786,1114 20.607,1115 -0.232,1116 12.992,1117 15.248,1118 3.201,1119 25.849,1120 12.863,1121 2.921,1122 11.298,1123 22.517,1124 4.386,1125 14.156,1126 16.601,1127 3.415,1128 28.33,1129 14.017,1130 2.545,1131 10.243,1132 24.435,1133 3.895,1134 15.367,1135 18.078,1136 3.757,1137 30.851,1138 15.216,1139 2.377,1140 8.388,1141 26.359,1142 3.604,1143 16.56,1144 19.482,1145 4.015,1146 33.358,1147 16.397,1148 2.228,1149 7.748,1150 28.288,1151 3.18,1152 17.771,1153 20.948,1154 4.341,1155 35.882,1156 17.596,1157 2.014,1158 6.534,1159 30.221,1160 2.984,1161 18.977,1162 22.38,1163 4.622,1164 38.402,1165 18.79,1166 8601,1167 13163,1168 21.789,1169 36.546,1170 51.598,1171 52.092,1172 53.091,1173 50.882,1174 50.803,1175 62.894,1176 6.221,1177 161.015,1178 49.459,1179 5.692,1180 5.822,1181 6.901,1182 5.502,1183 5.46,1184 7.386,1185 2.346,1186 20.496,1187 5.413,1188 15.081,1189 1.564,1190 1.579,1191 1.609,1192 1.542,1193 1.539,1194 1.906,1195 0.189,1196 4.879,1197 1.499,1198 4.113,1199 4.144,1200 4.074,1201 4.036,1202 8.201,1203 4.041,1204 3.889,1205 3.927,1206 3.824,1207 3.808,1208 6.466,1209 3.806,1210 3.847,1211 3.882,1212 3.77,1213 3.764,1214 5.121,1215 3.76,1216 3.576,1217 3.633,1218 3.455,1219 3.464,1220 4.793,1221 3.455,1222 3.324,1223 3.381,1224 3.203,1225 3.183,1226 4.609,1227 3.18,1228 3.185,1229 3.26,1230 3.09,1231 2.988,1232 4.419,1233 2.999,1234 3.06,1235 3.139,1236 2.911,1237 2.881,1238 4.179,1239 2.871,1240 2.996,1241 3.052,1242 2.885,1243 2.836,1244 3.906,1245 2.838,1246 0.144,1247 0.116,1248 0.219,1249 0.135,1250 0.105,1251 4.74,1252 0.133,1253 3.822,1254 0.041,1255 7.219,1256 0.387,1257 4.446,1258 0.103,1259 3.46,1260 4.386,1261 1.36,1262 12.786,1263 3.413,1264 2.055,1265 2.03,1266 2.145,1267 2.152,1268 1.454,1269 2.15,1270 1.887,1271 1.852,1272 2.053,1273 2.002,1274 1.39,1275 2.02,1276 1.844,1277 1.811,1278 1.984,1279 1.948,1280 1.193,1281 1.961,1282 1.571,1283 1.522,1284 1.745,1285 1.724,1286 0.91,1287 1.739,1288 1.306,1289 1.256,1290 1.524,1291 1.505,1292 0.751,1293 1.514,1294 1.147,1295 1.074,1296 1.451,1297 1.388,1298 0.673,1299 1.401,1300 1.056,1301 0.983,1302 1.417,1303 1.291,1304 0.582,1305 1.315,1306 0.968,1307 0.912,1308 1.344,1309 1.239,1310 0.474,1311 1.308,1312 4.205,1314 5.602,1316 7.204,1318 8.908,1320 10.669,1322 4.277,1324 13.643,1326 6.716,1327 11.045,1328 5.435,1332 -0.27,1334 -0.072,1340 34.484,1341 80.969,1342 202.509,1343 252.465,1344 274.465,1345 278.465,1346 278.465,1347 59.183,1348 8.401,1349 71.5,1350 71.5,1351 30,1352 13.095,1353 3.907,1354 3.17,1355 39.078,1356 89,1357 105,1358 0.216,1359 206.178,1360 366.9,1361 494.834,1362 50653,1363 1.8,1364 20.336,1365 0.701,1366 0.584,1367 19.466,1368 16.926,1369 13.838,1370 0.419,1371 0.315,1372 10.324,1373 13.499,1374 9.995,1375 8.249,1376 13.444,1377 10.404,1378 13.861,1379 0.272,1380 0.183,1381 13.239,1382 9.316,1383 11.39,1384 0.16,1385 0.091,1386 10.979,1387 6.471,1388 10.68,1389 0.101,1390 0.049,1391 10.529,1392 5.164,1393 9.145,1394 0.061,1395 0.026,1396 8.91,1397 3.938,1398 0.318,1399 85.577,1400 0.214,1401 26.307,1402 0.662,1403 168,1404 434.863,1405 179.125,1406 407.203,1407 563.28,1408 380,1409 206,1410 424.843,1411 216.732,1412 430.421,1413 640.45,1414 406,1415 5.796}
{0 CHEMBL468001,1 1.413,2 9.167,3 4.283,4 18.342,5 120.872,6 6.84,7 0.353,8 4.17,9 4.291,10 3.672,11 3.739,12 5.193,13 3.698,14 4.748,15 4.925,16 4.097,17 4.202,18 5.665,19 4.139,20 5.057,21 5.245,22 4.254,23 4.431,24 5.986,25 4.344,26 5.258,27 5.509,28 4.294,29 4.466,30 6.205,31 4.363,32 5.178,33 5.402,34 4.241,35 4.429,36 6.188,37 4.342,38 5.138,39 5.355,40 4.218,41 4.413,42 6.147,43 4.313,44 5.161,45 5.4,46 4.064,47 4.377,48 6.057,49 4.251,50 5.113,51 5.356,52 3.946,53 4.3,54 5.98,55 4.138,56 0.065,57 0.839,58 13.47,59 5.846,60 12.593,61 7.876,62 0.165,63 1.424,64 25.027,65 10.503,66 19.59,67 14.411,68 0.209,69 1.922,70 34.495,71 13.709,72 31.607,73 19.211,74 0.437,75 2.226,76 44.188,77 15.797,78 59.65,79 22.998,80 0.45,81 2.112,82 40.706,83 13.499,84 66.081,85 19.571,86 0.393,87 2.022,88 38.455,89 14.018,90 63.102,91 20.149,92 0.381,93 1.999,94 39.962,95 14.297,96 52.636,97 20.51,98 0.469,99 1.797,100 37.999,101 15.368,102 50.34,103 21.594,104 27,105 52,106 0.23,107 0.59,108 0.763,109 0.824,110 0.835,111 0.835,112 3.442,113 0.955,114 -4.9,115 -4.81,116 -4.51,121 42.4,122 2,123 6,124 1,125 1,126 1,138 1,140 1,144 4,145 3,146 2,148 1,149 1,158 1,165 1,166 1,167 1,176 15,179 1,180 8,185 4,187 22,189 2,192 7,197 4,200 15,203 2,206 11,208 2,209 3,211 9,214 16,216 4,219 8,224 5,227 15,229 3,232 10,235 1,236 1,237 7,238 1,239 22,241 4,249 2,251 19,253 1,255 2,256 3,258 1,259 2,261 4,264 19,266 2,269 2,274 1,277 8,281 1440,282 20.11,283 20.11,284 20.11,285 20.11,286 20.11,287 18.149,288 27.398,289 11.363,290 20.441,291 16.737,292 16.737,293 16.737,294 16.737,295 16.737,296 13.629,297 33.758,298 5.33,299 17.211,300 4.47,301 2.252,302 1.191,303 0.818,304 0.75,305 0.75,306 4.149,311 1,312 1,313 606,314 3.082,318 264.489,322 248.278,325 1.211,326 28.471,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 63.5,338 275,339 4.74,340 3.822,341 7.219,342 4.446,343 3.46,344 4.386,345 1.36,346 12.786,347 3.413,348 4.425,349 3.376,350 6.815,351 4.21,352 3.218,353 3.896,354 0.986,355 11.298,356 3.192,357 4.143,358 3.159,359 6.54,360 3.911,361 2.922,362 3.622,363 0.86,364 10.244,365 2.888,366 3.942,367 2.856,368 6.026,369 3.549,370 2.581,371 3.186,372 0.765,373 8.39,374 2.499,375 3.713,376 2.731,377 5.754,378 3.358,379 2.381,380 2.988,382 7.778,383 2.325,384 3.613,385 2.656,386 5.361,387 3.211,388 2.269,389 2.883,391 6.822,392 2.13,393 3.377,394 2.376,395 5.235,396 3.004,397 2.046,398 2.646,400 6.249,401 1.952,402 3.177,403 2.188,404 5.048,405 2.794,406 1.839,407 2.304,409 5.598,410 1.75,411 2.528,412 1.735,413 4.484,414 2.428,415 1.436,416 1.526,418 3.888,419 1.424,420 2.5,421 1.484,422 3.887,423 2.265,424 1.3,425 1.5,427 3.078,428 1.25,429 2.44,430 1.266,431 3.654,432 2,433 1,434 1.43,436 2.432,437 1,438 2.037,439 1.057,440 3.414,441 1.92,442 0.943,443 1.004,445 2.275,446 0.919,447 1.658,448 1,449 3.377,450 1.378,451 0.504,452 0.56,454 0.811,455 0.436,456 1.392,457 0.547,458 3.303,459 1.086,460 0.124,461 0.141,463 0.363,464 0.119,465 1.153,466 0.367,467 3.05,468 0.961,469 0.011,470 0.012,472 0.031,473 0.01,474 14.367,475 0.479,476 0.968,477 0.032,478 35.5,479 1.183,480 16.5,481 0.55,482 19,483 0.633,484 33.622,485 1.121,486 32.433,487 0.55,488 26.477,489 0.883,490 6.163,491 0.205,492 8.213,493 0.274,494 0.155,495 0.035,496 0.383,501 0.936,502 1.135,503 0.88,504 1.027,505 1.021,506 0.958,507 0.806,508 1.012,509 0.778,510 0.924,511 0.591,512 0.865,513 0.933,514 1.28,515 1.031,516 1.172,517 0.978,518 1.122,519 0.836,520 1.008,521 0.837,522 0.911,523 0.916,524 0.876,525 1.452,526 1.014,527 1.127,528 0.914,529 1.722,530 0.958,531 0.967,532 1.157,533 1.049,534 1.09,535 1.035,536 1.075,537 1.187,538 0.985,539 1.169,540 1.048,541 1.324,542 1.084,543 0.57,544 1.1,545 1.019,546 1.222,547 0.658,548 1.189,549 7,550 0.107,551 3.556,552 3.188,553 3.231,554 1.736,555 1.23,556 0.899,557 0.435,558 0.276,559 10072,560 21054,561 2.116,562 49.2,563 13,564 7,567 3,568 4,569 2,572 1.739,573 1.946,574 3.105,575 0.801,577 1,582 83.343,583 1.413,584 3.631,585 4.692,586 5.065,587 5.132,588 5.132,589 2.56,590 4.415,591 4.875,592 3.276,593 1425.08,594 8.569,595 18380.8,597 1,600 347.076,601 1.648,602 4.818,603 0.206,604 0.011,605 0.068,606 0.055,607 0.055,608 0.031,609 0.023,610 0.02,611 0.011,612 0.012,613 0.492,614 0.33,615 0.88,616 0.758,617 148.226,618 -0.061,619 0.04,620 0.048,621 0.069,622 -0.099,623 0.072,624 0.035,625 0.072,626 0.165,627 0.139,628 0.084,629 0.159,630 -0.058,631 -0.197,632 -0.081,633 -0.137,634 -0.094,635 -0.118,636 0.098,637 0.012,638 0.148,639 0.057,640 0.133,641 0.099,642 -0.22,643 0.08,644 -0.12,645 0.036,646 -0.203,647 -0.016,648 0.023,649 -0.089,650 -0.074,651 -0.103,652 0.098,653 -0.1,654 -0.162,655 0.054,656 -0.185,657 -0.076,658 -0.195,659 -0.117,660 0.288,661 -0.162,662 -0.06,663 -0.2,664 0.156,665 -0.176,666 1.491,667 5.14,668 0.8,669 24.667,670 0.991,671 1.124,672 3.671,673 13.473,674 0.658,675 3.555,676 3.97,677 4.304,678 4.691,679 5.037,680 5.268,681 5.489,682 5.762,683 5.919,684 6.006,685 5.53,686 0.616,687 403.57,688 3.555,689 5.153,690 6.047,691 6.987,692 7.904,693 8.852,694 9.779,695 10.731,696 11.664,697 12.619,698 5.1,702 1,707 1,708 1,715 4,716 1,720 7,722 12,733 1,739 1,741 59,743 14,744 1,745 34,747 63,748 25,749 11,750 2,751 4,752 3,756 5,757 11,763 2,764 1,766 1,767 6,768 1,770 6,772 14,773 11,774 1,777 2,785 1,786 3,790 1,793 29,794 5,795 3,796 5,802 3,808 0.4,809 2,822 1,829 5,833 3,839 1,849 1,850 1,857 1,859 2,864 3,868 30,869 1,875 1,876 6,878 1,880 1,882 1,893 3.4,895 1,898 1,901 15.417,902 11.517,903 6.333,904 3.722,907 3.089,908 1.364,909 0.979,910 4.662,911 11.57,912 3.761,913 4.407,914 4.997,915 5.631,916 6.245,917 6.664,918 7.126,919 7.621,920 8.017,921 8.293,922 1,923 58,924 11.187,926 4.961,927 0.026,929 7.558,931 21.953,933 19.343,936 2.058,937 61.75,940 1,941 306.049,942 110.23,943 66.468,945 53.683,948 110.23,949 359.732,950 66.468,951 28.533,952 15.207,953 70.802,954 62.226,955 51.285,956 2.328,957 306.049,959 306.049,960 176.698,961 53.683,964 282.506,965 77.225,968 52.4,969 107.512,970 16.786,972 306.049,973 120.151,974 110.23,977 306.049,978 43.791,979 66.438,981 120.151,982 306.049,983 120.151,984 110.23,986 0.6,987 0.357,988 0.206,989 0.121,990 29,991 13,992 0.032,993 2,994 3,995 1.25,996 3.851,997 306.293,998 0.25,999 24,1000 139.207,1005 19.628,1006 7.126,1007 3.257,1009 120.151,1010 8.059,1011 4.992,1015 6.654,1017 75.581,1018 536.43,1019 42,1027 4.975,1028 2.282,1031 58.447,1032 66.311,1034 0.24,1035 0.617,1036 0.798,1037 0.861,1038 0.872,1039 0.872,1040 5.075,1041 1.839,1042 6.098,1043 6.249,1044 4.654,1045 5.094,1046 2.124,1047 7.027,1048 4.605,1049 6.323,1050 1.436,1051 7.731,1052 5.598,1053 4.511,1054 5.085,1055 1.06,1056 8.246,1057 4.45,1058 7.681,1059 1.3,1060 9.466,1061 3.888,1062 6.399,1063 7.316,1064 2.142,1065 11.353,1066 6.32,1067 9.07,1068 1,1069 11.261,1070 3.078,1071 7.022,1072 8.049,1073 1.679,1074 13.34,1075 6.938,1076 10.487,1077 0.943,1078 13.094,1079 2.432,1080 8.45,1081 9.82,1082 2.358,1083 16.034,1084 8.354,1085 11.923,1086 0.504,1087 14.951,1088 2.275,1089 9.405,1090 10.899,1091 2.248,1092 18.329,1093 9.303,1094 13.376,1095 0.124,1096 16.826,1097 0.811,1098 10.677,1099 12.487,1100 2.735,1101 20.896,1102 10.564,1103 3.46,1104 0.011,1105 18.715,1106 0.363,1107 11.777,1108 13.745,1109 2.825,1110 23.321,1111 11.656,1112 3.218,1113 12.786,1114 20.615,1115 0.031,1116 12.999,1117 15.254,1118 3.219,1119 25.85,1120 12.868,1121 2.922,1122 11.298,1123 22.524,1124 4.386,1125 14.162,1126 16.607,1127 3.415,1128 28.33,1129 14.021,1130 2.581,1131 10.244,1132 24.441,1133 3.896,1134 15.372,1135 18.084,1136 3.765,1137 30.852,1138 15.22,1139 2.381,1140 8.39,1141 26.363,1142 3.622,1143 16.563,1144 19.487,1145 4.015,1146 33.358,1147 16.4,1148 2.269,1149 7.778,1150 28.291,1151 3.186,1152 17.774,1153 20.952,1154 4.344,1155 35.882,1156 17.598,1157 2.046,1158 6.822,1159 30.224,1160 2.988,1161 18.98,1162 22.384,1163 4.622,1164 38.402,1165 18.792,1166 9527,1167 13896,1168 22.482,1169 38.824,1170 52.781,1171 53.264,1172 54.588,1173 52.03,1174 52.071,1175 64.169,1176 7.941,1177 164.088,1178 50.61,1179 5.692,1180 5.822,1181 6.901,1182 5.502,1183 5.46,1184 7.386,1185 2.346,1186 20.496,1187 5.413,1188 15.542,1189 1.552,1190 1.567,1191 1.606,1192 1.53,1193 1.532,1194 1.887,1195 0.234,1196 4.826,1197 1.489,1198 4.114,1199 4.144,1200 4.074,1201 4.036,1202 6.466,1203 4.041,1204 3.89,1205 3.926,1206 3.822,1207 3.809,1208 5.123,1209 3.807,1210 3.849,1211 3.88,1212 3.769,1213 3.765,1214 4.867,1215 3.761,1216 3.581,1217 3.636,1218 3.457,1219 3.467,1220 4.772,1221 3.458,1222 3.332,1223 3.387,1224 3.209,1225 3.186,1226 4.433,1227 3.183,1228 3.242,1229 3.31,1230 3.107,1231 3.004,1232 4.35,1233 3.018,1234 3.175,1235 3.25,1236 3.035,1237 2.955,1238 4.178,1239 2.959,1240 3.06,1241 3.138,1242 2.894,1243 2.879,1244 3.906,1245 2.871,1246 0.139,1247 0.112,1248 0.212,1249 0.131,1250 0.102,1251 4.74,1252 0.129,1253 3.822,1254 0.04,1255 7.219,1256 0.376,1257 4.446,1258 0.1,1259 3.46,1260 4.386,1261 1.36,1262 12.786,1263 3.413,1264 2.055,1265 2.031,1266 2.145,1267 2.152,1268 1.455,1269 2.15,1270 1.888,1271 1.853,1272 2.053,1273 2.002,1274 1.39,1275 2.02,1276 1.847,1277 1.815,1278 1.988,1279 1.954,1280 1.197,1281 1.966,1282 1.574,1283 1.526,1284 1.752,1285 1.731,1286 0.924,1287 1.745,1288 1.309,1289 1.26,1290 1.566,1291 1.524,1292 0.751,1293 1.536,1294 1.194,1295 1.124,1296 1.523,1297 1.483,1298 0.675,1299 1.501,1300 1.142,1301 1.067,1302 1.451,1303 1.386,1304 0.584,1305 1.4,1306 1.054,1307 0.981,1308 1.417,1309 1.29,1310 0.574,1311 1.314,1312 4.234,1314 5.624,1316 7.223,1318 8.925,1320 10.684,1322 6.019,1326 6.791,1327 11.14,1328 5.672,1330 5.357,1332 -0.158,1334 -0.034,1340 36.342,1341 83.343,1342 214.214,1343 276.811,1344 298.811,1345 302.811,1346 302.811,1347 54.956,1348 8.481,1349 80.73,1350 80.73,1351 30,1352 13.109,1353 3.907,1354 3.17,1355 41.085,1356 95,1357 128,1358 0.21,1359 218.568,1360 386.92,1361 525.066,1362 56166,1364 21.043,1365 0.701,1366 0.599,1367 21.043,1368 17.957,1369 14.376,1370 0.423,1371 0.318,1372 10.731,1373 13.998,1374 10.337,1375 8.575,1376 14.376,1377 10.828,1378 14.03,1379 0.27,1380 0.183,1381 14.03,1382 9.538,1383 11.798,1384 0.162,1385 0.092,1386 11.798,1387 6.717,1388 10.991,1389 0.102,1390 0.049,1391 10.991,1392 5.305,1393 9.255,1394 0.06,1395 0.026,1396 9.255,1397 4.012,1398 0.312,1399 89.055,1400 0.211,1401 27.179,1402 0.637,1403 172,1404 396.488,1405 182.172,1406 391.411,1407 552.28,1408 368,1409 211,1410 422.055,1411 221.48,1412 434.448,1413 644.69,1414 408,1415 6.432}
{0 CHEMBL468002,1 1.417,2 8.179,3 3.149,4 9.914,5 112.252,6 6.936,7 0.375,8 4.087,9 4.214,10 3.604,11 3.67,12 5.115,13 3.629,14 4.662,15 4.843,16 4.034,17 4.142,18 5.583,19 4.077,20 4.995,21 5.191,22 4.181,23 4.369,24 5.91,25 4.277,26 5.187,27 5.444,28 4.237,29 4.392,30 6.131,31 4.291,32 5.092,33 5.309,34 4.201,35 4.352,36 6.137,37 4.278,38 5.062,39 5.276,40 4.167,41 4.343,42 6.103,43 4.247,44 5.103,45 5.357,46 3.948,47 4.28,48 6.037,49 4.14,50 4.977,51 5.246,52 3.621,53 4.134,54 5.743,55 3.94,56 0.062,57 0.804,58 12.093,59 5.143,60 11.864,61 7.07,62 0.123,63 1.37,64 22.401,65 9.402,66 16.396,67 13.206,68 0.189,69 1.841,70 32.022,71 12.634,72 28.902,73 17.936,74 0.4,75 2.085,76 41.101,77 14.628,78 55.389,79 21.417,80 0.439,81 1.97,82 37.092,83 11.834,84 63.193,85 17.108,86 0.364,87 1.924,88 35.223,89 12.564,90 60.108,91 18.234,92 0.506,93 1.914,94 38.004,95 13.061,96 64.847,97 19.052,98 0.225,99 1.603,100 33.185,101 13.003,102 35.28,103 18.81,104 17,105 49,106 0.234,107 0.604,108 0.764,109 0.819,110 0.831,111 0.831,112 3.377,113 0.952,114 -4.21,115 -4.15,116 -3.93,121 42.6,122 2,123 6,124 1,125 1,138 1,140 1,144 2,145 3,146 1,147 2,148 1,149 1,158 1,165 1,166 1,167 1,176 13,179 1,180 8,185 4,187 19,189 2,192 6,197 4,200 11,203 2,206 11,208 2,209 3,211 9,214 12,216 4,219 9,224 5,227 15,229 3,232 4,235 1,236 1,237 3,238 1,239 16,241 2,243 2,244 3,246 1,247 2,249 2,251 15,253 1,256 2,261 4,264 11,266 2,269 4,274 1,277 6,281 1104,282 18.792,283 18.792,284 18.792,285 18.792,286 18.792,287 16.803,288 23.084,289 10.778,290 19.017,291 15.843,292 15.843,293 15.843,294 15.843,295 15.843,296 12.802,297 29.107,298 5.154,299 16.227,300 4.338,301 2.101,302 1.139,303 0.806,304 0.732,305 0.732,306 4.085,311 1,312 1,313 509,314 2.828,318 235.299,322 221.121,325 1.061,326 26.518,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 59,338 229,339 4.739,340 3.822,341 7.219,342 4.446,343 3.46,344 4.385,345 1.36,346 12.785,347 3.413,348 4.424,349 3.376,350 6.815,351 4.21,352 3.218,353 3.889,354 0.986,355 11.298,356 3.191,357 4.119,358 3.155,359 6.539,360 3.907,361 2.917,362 3.474,363 0.765,364 10.243,365 2.884,366 3.838,367 2.777,368 6.026,369 3.443,370 2.463,371 3.143,373 8.384,374 2.411,375 3.711,376 2.663,377 5.739,378 3.34,379 2.367,380 2.97,382 7.711,383 2.303,384 3.5,385 2.422,386 5.317,387 3.076,388 2.123,389 2.792,391 6.422,392 2.015,393 3.184,394 2.19,395 5.052,396 2.799,397 1.843,398 2.325,400 5.609,401 1.757,402 2.968,403 1.888,404 4.548,405 2.579,406 1.628,407 2.119,409 4.178,410 1.545,411 2.5,412 1.493,413 3.907,414 2.4,415 1.413,416 1.5,418 3.081,419 1.392,420 2.499,421 1.362,422 3.659,423 2.116,424 1.153,425 1.499,427 2.862,428 1.107,429 2.372,430 1.191,431 3.562,432 1.984,433 1,434 1.347,436 2.302,437 0.983,438 2.015,439 1,440 3.342,441 1.862,442 0.89,443 0.973,445 2.136,446 0.863,447 1.402,448 0.545,449 3.301,450 1.088,451 0.125,452 0.142,454 0.37,455 0.12,456 1.155,457 0.358,458 3.247,459 0.962,460 0.011,461 0.012,463 0.031,464 0.01,465 1.028,466 0.045,467 2.951,468 0.673,469 -0.298,470 -0.356,472 -0.845,473 -0.288,474 13.433,475 0.48,476 0.9,477 0.032,478 34,479 1.214,480 16,481 0.571,482 18,483 0.643,484 30.331,485 1.083,486 29.767,487 0.551,488 24.02,489 0.858,490 5.76,491 0.206,492 7.685,493 0.274,494 0.129,495 0.037,496 0.372,501 0.951,502 1.147,503 0.866,504 0.987,505 1.007,506 0.93,507 0.606,508 1.054,509 0.768,510 0.963,511 0.539,512 0.895,513 0.939,514 1.245,515 1.03,516 1.172,517 0.972,518 1.122,519 0.873,520 0.966,521 0.789,522 0.888,523 0.883,524 0.838,525 1.898,526 1.004,527 1.167,528 0.897,529 1.826,530 0.944,531 1.102,532 1.231,533 1.091,534 1.152,535 1.062,536 1.123,537 1.226,538 0.906,539 1.202,540 1.023,541 1.267,542 1.093,543 0.752,544 1.083,545 1.123,546 1.21,547 0.772,548 1.21,549 6,550 0.025,551 3.111,552 3.125,553 3,554 1.562,555 1.073,556 0.672,557 0.303,558 0.129,559 8322,560 17236,561 2.146,562 48.1,563 13,564 2,566 2,567 3,568 4,569 2,572 1.723,573 1.988,574 2.974,575 0.847,576 1,577 1,582 76.511,583 1.417,584 3.654,585 4.616,586 4.949,587 5.023,588 5.023,589 2.265,590 4.28,591 4.78,592 3.116,593 1178,594 8.379,595 14478.8,597 1,599 1,600 310.764,601 1.617,602 4.726,603 0.188,604 0.008,605 0.063,606 0.058,607 0.054,608 0.029,609 0.021,610 0.017,611 0.011,612 0.01,613 0.459,614 0.5,615 0.88,616 0.573,617 134.304,618 -0.082,619 0.026,620 0.045,621 0.087,622 -0.092,623 0.079,624 0.087,625 0.037,626 0.153,627 0.093,628 0.092,629 0.123,630 -0.056,631 -0.184,632 -0.088,633 -0.145,634 -0.109,635 -0.125,636 0.162,637 0.017,638 0.203,639 0.085,640 0.161,641 0.139,642 -0.309,643 0.078,644 -0.146,645 0.043,646 -0.223,647 -0.02,648 0.036,649 -0.173,650 -0.114,651 -0.172,652 0.099,653 -0.16,654 -0.061,655 0.111,656 -0.205,657 -0.071,658 -0.11,659 -0.14,660 -0.04,661 -0.163,662 -0.166,663 -0.201,664 -0.045,665 -0.198,666 1.471,667 5.049,668 0.857,669 20.245,670 0.99,671 1.125,672 2.984,673 8.903,674 0.664,675 3.497,676 3.912,677 4.248,678 4.654,679 4.997,680 5.215,681 5.429,682 5.684,683 5.835,684 5.892,685 5.089,686 0.622,687 374.53,688 3.497,689 5.094,690 5.989,691 6.932,692 7.85,693 8.802,694 9.731,695 10.686,696 11.621,697 12.577,698 7.4,702 1,707 1,708 2,715 4,716 2,720 6,722 12,733 1,741 54,743 14,745 32,747 58,748 23,749 10,752 3,756 5,757 11,763 2,764 1,766 1,767 6,768 1,770 6,772 13,773 10,774 1,777 2,785 1,786 3,790 1,793 26,794 5,795 3,796 5,802 4,808 0.4,809 1,822 2,829 5,833 3,839 1,849 1,850 1,857 1,859 2,864 2,868 28,869 1,875 1,876 6,880 1,882 1,893 1.9,895 1,901 14.083,902 10.3,903 5.833,904 3.481,907 3.02,908 1.363,909 0.99,910 4.011,911 11.334,912 3.714,913 4.357,914 4.945,915 5.59,916 6.198,917 6.604,918 7.069,919 7.551,920 7.944,921 8.191,922 0.667,923 54,924 10.442,926 4.675,927 0.026,929 7.557,931 20.514,933 18.272,936 2.057,937 57.583,940 1,941 270.735,942 93.245,943 83.254,945 42.683,948 93.245,949 313.419,950 83.254,951 17.65,952 15.207,953 51.85,954 102.553,955 53.136,956 2.328,957 247.193,959 270.735,960 176.499,961 42.683,964 247.193,965 66.226,968 70.495,969 72.433,970 33.571,972 270.735,973 125.937,974 93.245,977 270.735,978 38.548,979 54.698,981 125.937,982 270.735,983 125.937,984 93.245,986 0.6,987 0.353,988 0.213,989 0.126,990 28,991 12,992 0.017,993 1,994 3,995 1.25,996 3.704,997 281.567,998 0.25,999 24,1000 128.606,1005 17.728,1006 6.335,1007 2.852,1009 125.937,1010 7.617,1011 9.146,1015 5.871,1017 75.581,1018 489.918,1019 40,1027 4.95,1028 2.299,1031 53.454,1032 60.77,1034 0.246,1035 0.635,1036 0.802,1037 0.86,1038 0.873,1039 0.873,1040 5.024,1041 1.628,1042 6.038,1043 5.609,1044 4.595,1045 5.043,1046 1.93,1047 6.973,1048 4.551,1049 6.27,1050 1.413,1051 7.671,1052 4.178,1053 4.443,1054 4.997,1055 1.06,1056 8.202,1057 4.393,1058 7.625,1059 1.153,1060 9.41,1061 3.081,1062 6.34,1063 7.257,1064 2.004,1065 11.323,1066 6.269,1067 9.012,1068 1,1069 11.212,1070 2.862,1071 6.967,1072 7.968,1073 1.679,1074 13.321,1075 6.896,1076 10.429,1077 0.89,1078 13.051,1079 2.302,1080 8.404,1081 9.761,1082 2.278,1083 16.021,1084 8.316,1085 11.867,1086 0.125,1087 14.915,1088 2.136,1089 9.367,1090 10.832,1091 2.248,1092 18.322,1093 9.275,1094 13.322,1095 0.011,1096 16.796,1097 0.37,1098 10.645,1099 12.433,1100 2.696,1101 20.891,1102 10.539,1103 3.46,1104 -0.298,1105 18.691,1106 0.031,1107 11.751,1108 13.69,1109 2.825,1110 23.318,1111 11.638,1112 3.218,1113 12.785,1114 20.596,1115 -0.845,1116 12.977,1117 15.207,1118 3.201,1119 25.848,1120 12.852,1121 2.917,1122 11.298,1123 22.509,1124 4.385,1125 14.144,1126 16.562,1127 3.415,1128 28.329,1129 14.008,1130 2.463,1131 10.243,1132 24.428,1133 3.889,1134 15.357,1135 18.044,1136 3.757,1137 30.851,1138 15.209,1139 2.367,1140 8.384,1141 26.353,1142 3.474,1143 16.551,1144 19.451,1145 4.015,1146 33.358,1147 16.391,1148 2.123,1149 7.711,1150 28.284,1151 3.143,1152 17.763,1153 20.92,1154 4.341,1155 35.881,1156 17.59,1157 1.843,1158 6.422,1159 30.218,1160 2.97,1161 18.971,1162 22.354,1163 4.622,1164 38.401,1165 18.785,1166 7797,1167 11344,1168 21.383,1169 35.853,1170 50.041,1171 50.076,1172 50.794,1173 49.227,1174 49.222,1175 61.14,1176 6.221,1177 154.823,1178 47.985,1179 5.691,1180 5.822,1181 7.021,1182 5.502,1183 5.46,1184 7.385,1185 2.346,1186 20.496,1187 5.413,1188 12.96,1189 1.564,1190 1.565,1191 1.587,1192 1.538,1193 1.538,1194 1.911,1195 0.194,1196 4.838,1197 1.5,1198 4.11,1199 4.141,1200 4.07,1201 4.028,1202 6.466,1203 4.034,1204 3.881,1205 3.922,1206 3.805,1207 3.794,1208 5.123,1209 3.791,1210 3.816,1211 3.861,1212 3.741,1213 3.717,1214 4.897,1215 3.716,1216 3.567,1217 3.626,1218 3.445,1219 3.445,1220 4.772,1221 3.439,1222 3.321,1223 3.379,1224 3.196,1225 3.178,1226 4.425,1227 3.175,1228 3.183,1229 3.258,1230 3.083,1231 2.983,1232 4.181,1233 2.992,1234 3.06,1235 3.138,1236 2.895,1237 2.88,1238 3.926,1239 2.871,1240 2.925,1241 3.009,1242 2.787,1243 2.753,1244 3.868,1245 2.749,1246 0.148,1247 0.119,1248 0.226,1249 0.139,1250 0.108,1251 4.739,1252 0.137,1253 3.822,1254 0.043,1255 7.219,1256 0.4,1257 4.446,1258 0.107,1259 3.46,1260 4.385,1261 1.36,1262 12.785,1263 3.413,1264 2.05,1265 2.024,1266 2.142,1267 2.151,1268 1.453,1269 2.149,1270 1.882,1271 1.843,1272 2.052,1273 2.001,1274 1.39,1275 2.019,1276 1.805,1277 1.765,1278 1.952,1279 1.933,1280 1.17,1281 1.941,1282 1.556,1283 1.504,1284 1.728,1285 1.719,1286 0.838,1287 1.731,1288 1.302,1289 1.252,1290 1.524,1291 1.503,1292 0.747,1293 1.513,1294 1.146,1295 1.071,1296 1.451,1297 1.388,1298 0.668,1299 1.401,1300 1.054,1301 0.982,1302 1.417,1303 1.29,1304 0.581,1305 1.314,1306 0.934,1307 0.845,1308 1.343,1309 1.239,1310 0.469,1311 1.308,1312 4.174,1314 5.565,1316 7.166,1318 8.872,1320 10.637,1322 4.349,1326 6.744,1327 11.049,1328 5.717,1332 -0.138,1334 -0.021,1340 33.595,1341 76.511,1342 197.298,1343 249.254,1344 267.254,1345 271.254,1346 271.254,1347 49.241,1348 8.314,1349 84.39,1350 84.39,1351 30,1352 13.066,1353 3.907,1354 3.17,1355 37.137,1356 84,1357 82,1358 0.22,1359 202.182,1360 354.53,1361 485.083,1362 45510,1364 19.466,1365 0.695,1366 0.589,1367 19.466,1368 16.496,1369 13.444,1370 0.42,1371 0.317,1372 10.082,1373 13.145,1374 9.747,1375 8.064,1376 13.444,1377 10.154,1378 13.239,1379 0.27,1380 0.185,1381 13.239,1382 9.045,1383 10.979,1384 0.159,1385 0.091,1386 10.979,1387 6.307,1388 10.529,1389 0.101,1390 0.049,1391 10.529,1392 5.064,1393 8.91,1394 0.061,1395 0.026,1396 8.91,1397 3.831,1398 0.324,1399 82.848,1400 0.216,1401 25.479,1402 0.681,1403 162,1404 360.397,1405 170.681,1406 362.219,1407 513.29,1408 340,1409 199,1410 395.622,1411 208.154,1412 407.256,1413 605.31,1414 384,1415 5.553}
{0 CHEMBL469423,1 1.399,2 6,3 2.78,4 7.731,5 78.888,6 7.226,7 0.522,8 3.732,9 3.836,10 3.288,11 3.323,12 4.781,13 3.296,14 4.286,15 4.439,16 3.679,17 3.768,18 5.251,19 3.721,20 4.563,21 4.742,22 3.846,23 3.972,24 5.537,25 3.901,26 4.647,27 4.832,28 3.829,29 3.992,30 5.579,31 3.907,32 4.699,33 4.9,34 3.72,35 3.909,36 5.686,37 3.812,38 4.61,39 4.845,40 3.367,41 3.679,42 5.579,43 3.544,44 4.349,45 4.629,46 2.509,47 3.305,48 5.175,49 3.057,50 3.952,51 4.359,52 1.06,53 2.594,54 4.35,55 2.14,56 0.037,57 0.494,58 7.943,59 3.655,60 7.9,61 4.611,62 0.112,63 0.852,64 14.896,65 6.329,66 13.3,67 8.201,68 0.218,69 1.112,70 20.227,71 8.511,72 24.174,73 11.358,74 0.102,75 1.18,76 22.155,77 9.505,78 17.894,79 12.581,80 0.268,81 1.203,82 24.607,83 9.496,84 35.717,85 12.417,86 0.346,87 1.062,88 23.806,89 8.556,90 42.383,91 11.256,92 0.25,93 0.822,94 18.845,95 6.685,96 34.669,97 9.232,98 0.128,99 0.521,100 13.999,101 5.01,102 18.461,103 7.705,104 6,105 34,106 0.253,107 0.614,108 0.804,109 0.881,110 0.891,111 0.891,112 3.062,113 0.918,114 -3.8,115 -3.76,116 -3.57,121 45.9,123 2,126 1,127 1,129 1,144 5,145 5,146 2,176 12,180 1,185 4,187 16,192 3,195 1,197 5,200 14,206 3,211 6,214 10,219 4,222 1,224 4,227 7,232 1,236 1,237 4,239 5,249 1,251 2,281 406,282 13.939,283 13.939,284 13.939,285 13.939,286 13.939,287 12.47,288 16.625,289 8.043,290 14.2,291 11.314,292 11.314,293 11.314,294 11.314,295 11.314,296 8.982,297 20.713,298 3.707,299 11.65,300 3.81,301 1.816,302 0.767,303 0.345,304 0.291,305 0.291,306 3.764,310 1,311 1,312 1,313 267,314 2.236,318 108.589,322 180.5,324 55.983,325 0.7,326 15.522,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 42.5,338 120,339 4.715,340 3.591,341 7.155,342 4.381,343 3.393,344 4.44,345 0.86,346 12.562,347 3.351,348 4.084,349 2.999,350 6.224,351 3.696,352 2.704,353 3.685,354 0.657,355 9.144,356 2.685,357 3.856,358 2.862,359 6.067,360 3.58,361 2.626,362 3.183,364 8.648,365 2.494,366 3.336,367 2.281,368 5.247,369 2.972,370 1.987,371 2.629,373 6.15,374 1.956,375 3.116,376 2.156,377 5.181,378 2.901,379 1.932,380 2.224,382 6.049,383 1.865,384 2.84,385 1.767,386 4.138,387 2.41,388 1.423,389 1.969,391 3.354,392 1.405,393 2.605,394 1.572,395 3.895,396 2.302,397 1.332,398 1.638,400 3.003,401 1.288,402 2.371,403 1.438,404 3.648,405 2.15,406 1.211,407 1.364,409 2.955,410 1.13,411 1.898,412 0.977,413 3.369,414 1.646,415 0.736,416 0.836,418 1.549,419 0.663,420 1.241,421 0.46,422 3.066,423 1.017,424 0.069,425 0.078,427 0.141,428 0.065,429 1.123,430 0.168,431 2.74,432 0.804,433 -0.148,434 -0.175,436 -0.371,437 -0.138,438 0.815,439 -0.136,440 2.431,441 0.504,442 -0.442,443 -0.509,445 -1.073,446 -0.416,447 0.743,448 -0.239,449 2.348,450 0.488,451 -0.485,452 -0.577,454 -1.238,455 -0.472,456 0.5,457 -0.63,458 2.225,459 0.07,460 -0.91,461 -1.058,463 -2.269,464 -0.876,465 0.112,466 -0.899,467 2,468 -0.105,469 -1.05,470 -1.41,472 -2.772,473 -1.003,474 9.567,475 0.478,476 0.466,477 0.023,478 25.75,479 1.288,480 13,481 0.65,482 12.75,483 0.638,484 15.646,485 0.782,486 21.033,487 0.568,488 16.773,489 0.839,490 5.002,491 0.25,492 4.79,493 0.24,494 0.087,496 0.418,501 0.94,502 1.024,503 0.818,504 0.934,505 0.933,506 0.868,507 1.007,508 0.923,509 0.871,510 0.858,511 0.686,512 0.842,513 0.692,514 0.986,515 0.869,516 0.963,517 0.689,518 0.936,519 0.836,520 1.209,521 0.956,522 1.177,523 0.729,524 1.101,525 1.279,526 1.156,527 1.133,528 1.154,529 1.424,530 1.132,531 1.533,532 1.037,533 1.236,534 1.059,535 1.454,536 1.106,537 1.302,538 1.016,539 1.411,540 1.121,541 1.515,542 1.253,543 0.227,544 0.595,545 0.62,546 0.659,547 0.407,548 0.691,549 3,551 2.222,552 1.813,553 1.987,554 0.806,555 0.381,556 0.083,559 3249,560 7401,561 2.195,562 45.9,564 11,567 2,569 4,572 1.631,573 2.069,574 2.622,575 0.262,577 1,579 1,582 51.776,583 1.399,584 3.393,585 4.443,586 4.865,587 4.919,588 4.919,589 1.776,590 3.722,591 4.3,592 2.668,593 506.848,594 7.407,595 4985.03,596 1,597 1,598 1,599 1,600 192.75,601 1.361,602 4.262,603 0.13,605 0.065,606 0.046,607 0.054,608 0.026,609 0.019,610 0.014,613 0.355,614 1,615 1,616 0.764,617 83.873,618 -0.074,619 0.063,620 0.045,621 0.079,622 -0.086,623 0.079,624 -0.105,625 0.139,626 0.034,627 0.135,628 -0.019,629 0.111,630 0.122,631 0.047,632 0.047,633 0.027,634 0.092,635 0.031,636 0.006,637 -0.224,638 -0.033,639 -0.182,640 0.037,641 -0.125,642 -0.049,643 -0.181,644 -0.147,645 -0.193,646 -0.112,647 -0.187,648 -0.13,649 -0.096,650 -0.201,651 -0.114,652 -0.084,653 -0.163,654 -0.229,655 -0.084,656 -0.386,657 -0.184,658 -0.261,659 -0.285,660 0.186,661 0.216,662 0.445,663 0.307,664 0.149,665 0.394,666 1.418,667 4.269,668 0.85,669 9.93,670 0.995,671 1.115,672 2.571,673 6.608,674 0.676,675 3.178,676 3.555,677 3.951,678 4.344,679 4.7,680 4.86,681 5.011,682 5.17,683 5.273,684 5.182,685 3.901,686 0.64,687 267.35,688 3.178,689 4.745,690 5.652,691 6.583,692 7.514,693 8.454,694 9.39,695 10.333,696 11.271,697 12.214,698 2.7,700 1,715 5,720 7,722 12,738 1,739 1,741 37,743 12,744 2,745 23,747 40,748 17,749 12,750 7,751 5,756 4,757 12,767 3,770 3,772 12,773 5,789 1,790 1,793 17,794 3,795 2,796 3,802 1,808 0.25,809 2,829 4,833 4,835 1,853 1,859 1,864 1,868 20,875 1,876 3,877 1,878 1,880 1,893 5.4,895 1,898 1,901 9.667,902 6.867,903 4.361,904 2.258,907 2.514,908 1.335,909 1.006,910 2.672,911 10.025,912 3.401,913 4.043,914 4.705,915 5.357,916 5.98,917 6.311,918 6.697,919 7.091,920 7.436,921 7.594,922 0.75,923 39,924 7.422,926 3.277,927 0.026,929 7.575,931 14.556,933 12.773,936 2.075,937 41.5,938 0.001,941 176.567,942 86.61,943 18.011,945 53.683,948 86.61,949 230.25,950 18.011,951 10.883,952 7.175,953 65.392,954 42.683,955 32.171,957 176.567,959 176.567,960 104.621,961 53.683,964 129.482,965 100.768,968 25.186,969 79.436,972 176.567,973 71.694,974 86.61,977 176.567,978 28.346,979 58.264,980 18.011,981 53.683,982 176.567,983 71.694,984 86.61,986 0.585,987 0.372,988 0.23,989 0.138,990 20,991 8,992 0.025,993 1,994 4,995 1.412,996 3.1,997 173.24,998 0.471,999 16,1000 86.439,1005 12.095,1006 4.419,1007 1.679,1009 71.694,1010 10.281,1015 6.983,1017 60.694,1018 334.871,1019 29,1031 36.825,1032 41.239,1034 0.269,1035 0.651,1036 0.853,1037 0.934,1038 0.944,1039 0.944,1040 4.673,1041 1.211,1042 5.659,1043 3.003,1044 4.234,1045 4.727,1046 1.207,1047 6.575,1048 4.185,1049 5.89,1050 0.736,1051 7.274,1052 2.955,1053 3.892,1054 4.62,1056 7.667,1057 3.829,1058 7.226,1059 0.069,1060 8.995,1061 1.549,1062 5.911,1063 6.968,1064 0.903,1065 10.865,1066 5.833,1067 8.6,1068 -0.148,1069 10.777,1070 0.141,1071 6.415,1072 7.697,1074 12.804,1075 6.323,1076 10.011,1077 -0.442,1078 12.6,1079 -0.371,1080 7.909,1081 9.532,1082 0.678,1083 15.536,1084 7.808,1085 11.448,1086 -0.485,1087 14.451,1088 -1.073,1089 8.807,1090 10.648,1092 17.825,1093 8.693,1094 12.905,1095 -0.91,1096 16.321,1097 -1.238,1098 10.104,1099 12.277,1100 0.512,1101 20.411,1102 9.984,1103 3.393,1104 -1.05,1105 18.207,1106 -2.269,1107 11.18,1108 13.581,1110 22.843,1111 11.048,1112 2.704,1113 12.562,1114 20.106,1115 -2.772,1116 12.411,1117 15.123,1118 0.387,1119 25.385,1120 12.271,1121 2.626,1122 9.144,1123 22.014,1124 4.44,1125 13.564,1126 16.517,1128 27.876,1129 13.413,1130 1.987,1131 8.648,1132 23.931,1133 3.685,1134 14.777,1135 18.024,1136 0.293,1137 30.406,1138 14.617,1139 1.932,1140 6.15,1141 25.856,1142 3.183,1143 15.964,1144 19.464,1146 32.92,1147 15.793,1148 1.423,1149 6.049,1150 27.786,1151 2.629,1152 17.175,1153 20.956,1154 0.221,1155 35.448,1156 16.994,1157 1.332,1158 3.354,1159 29.721,1160 2.224,1161 18.378,1162 22.419,1164 37.971,1165 18.186,1166 3108,1167 4757,1168 15.72,1169 25.006,1170 34.944,1171 35.493,1172 36.851,1173 34.808,1174 34.825,1175 44.092,1176 3.035,1177 107.111,1178 33.809,1179 5.664,1180 5.591,1181 6.837,1182 5.419,1183 5.393,1184 7.44,1185 1.72,1186 20.159,1187 5.351,1188 7.315,1189 1.519,1190 1.543,1191 1.602,1192 1.513,1193 1.514,1194 1.917,1195 0.132,1196 4.657,1197 1.47,1198 4.111,1199 4.132,1200 4.069,1201 4.058,1202 6.469,1203 4.058,1204 3.779,1205 3.81,1206 3.711,1207 3.713,1208 4.844,1209 3.709,1210 3.535,1211 3.581,1212 3.433,1213 3.347,1214 4.622,1215 3.359,1216 3.271,1217 3.335,1218 3.119,1219 3.151,1220 4.422,1221 3.134,1222 3.182,1223 3.261,1224 2.968,1225 2.907,1226 3.998,1227 2.907,1228 2.931,1229 2.978,1230 2.817,1231 2.822,1232 3.803,1233 2.813,1234 2.762,1235 2.834,1236 2.61,1237 2.56,1238 3.665,1239 2.544,1240 2.673,1241 2.733,1242 2.525,1243 2.504,1244 3.282,1245 2.518,1246 0.205,1247 0.156,1248 0.311,1249 0.19,1250 0.148,1251 4.715,1252 0.193,1253 3.591,1254 0.037,1255 7.155,1256 0.546,1257 4.381,1258 0.146,1259 3.393,1260 4.44,1261 0.86,1262 12.562,1263 3.351,1264 2.079,1265 2.061,1266 2.162,1267 2.154,1268 1.45,1269 2.157,1270 1.781,1271 1.753,1272 1.919,1273 1.879,1274 1.115,1275 1.895,1276 1.475,1277 1.429,1278 1.67,1279 1.705,1280 0.835,1281 1.693,1282 1.292,1283 1.232,1284 1.561,1285 1.477,1286 0.797,1287 1.505,1288 1.152,1289 1.067,1290 1.522,1291 1.434,1292 0.565,1293 1.47,1294 0.936,1295 0.889,1296 1.174,1297 1.094,1298 0.296,1299 1.122,1300 0.699,1301 0.635,1302 1.025,1303 1.021,1304 0.17,1305 1.017,1306 0.679,1307 0.616,1308 0.942,1309 0.868,1310 0.139,1311 0.895,1312 3.85,1314 5.209,1316 6.808,1318 8.523,1320 10.301,1322 1.625,1327 10.269,1328 2.924,1329 3.592,1330 5.494,1332 0.332,1340 23.665,1341 51.776,1342 125.556,1343 164.385,1344 179.995,1345 181.995,1346 181.995,1347 25.307,1348 7.512,1349 41.49,1350 41.49,1351 24,1352 12.709,1353 3.7,1354 2.807,1355 25.769,1356 47,1357 42,1358 0.287,1359 141.489,1360 244.16,1361 336.993,1362 16719,1364 13.69,1365 0.684,1366 0.572,1367 13.69,1368 11.441,1369 9.792,1370 0.426,1371 0.306,1372 6.959,1373 9.506,1374 6.784,1375 5.574,1376 9.792,1377 7.037,1378 8.835,1379 0.26,1380 0.162,1381 8.835,1382 5.495,1383 8.122,1384 0.159,1385 0.087,1386 8.122,1387 4.434,1388 7.61,1389 0.1,1390 0.048,1391 7.61,1392 3.618,1393 6.76,1394 0.062,1395 0.026,1396 6.76,1397 2.841,1398 0.41,1399 60.899,1400 0.252,1401 18.767,1402 0.927,1403 114,1404 278.218,1405 120.703,1406 270.511,1407 382.05,1408 256,1409 142,1410 287.984,1411 149.258,1412 295.327,1413 441.37,1414 279,1415 4}
{0 CHEMBL470715,1 1.487,2 9.103,3 3.776,4 14.255,5 114.145,6 7.027,7 0.375,8 4.119,9 4.235,10 3.633,11 3.642,12 5.197,13 3.618,14 4.667,15 4.841,16 4.007,17 4.05,18 5.683,19 4.002,20 4.9,21 5.092,22 4.17,23 4.239,24 5.867,25 4.186,26 5.014,27 5.197,28 4.252,29 4.314,30 6.125,31 4.258,32 5.137,33 5.353,34 4.235,35 4.364,36 6.171,37 4.291,38 5.141,39 5.356,40 4.214,41 4.355,42 6.213,43 4.267,44 5.152,45 5.387,46 4.014,47 4.301,48 6.077,49 4.177,50 5.105,51 5.369,52 3.856,53 4.167,54 5.998,55 4.005,56 0.044,57 0.789,58 12.488,59 5.388,60 12.064,61 7.078,62 0.285,63 1.272,64 23.247,65 9.172,66 29.426,67 12.399,68 0.234,69 1.609,70 29.65,71 10.988,72 29.721,73 15.283,74 0.406,75 1.807,76 33.333,77 11.88,78 55.365,79 16.502,80 0.411,81 1.961,82 38.841,83 13.01,84 62.067,85 18.509,86 0.525,87 1.946,88 38.872,89 13.44,90 75.401,91 19.153,92 0.402,93 1.88,94 39.929,95 13.929,96 56.662,97 19.726,98 0.652,99 1.672,100 39.129,101 14.09,102 64.677,103 20.224,104 32,105 46,106 0.245,107 0.618,108 0.815,109 0.845,110 0.856,111 0.856,112 3.41,113 0.948,114 -4.12,115 -4.06,116 -3.84,121 41.1,122 2,123 4,124 1,126 1,127 1,138 1,141 1,144 4,145 3,146 2,148 1,149 1,158 1,165 1,166 1,167 1,176 11,179 1,180 10,183 1,185 3,187 15,189 2,192 7,197 3,200 13,203 2,205 1,206 11,208 2,209 3,211 8,214 12,216 4,219 9,224 5,227 10,229 3,231 1,232 11,234 1,235 2,236 1,237 6,238 1,239 16,241 3,244 1,249 1,251 12,255 3,256 5,258 1,259 2,261 3,264 10,266 1,269 2,274 1,277 3,281 1398,282 19.792,283 19.792,284 19.792,285 19.792,286 19.792,287 17.778,288 26.653,289 11.553,290 20.236,291 15.676,292 15.676,293 15.676,294 15.676,295 15.676,296 12.528,297 30.813,298 5.284,299 16.215,300 4.32,301 2.057,302 0.862,303 0.683,304 0.612,305 0.612,306 4.104,311 1,312 1,313 566,314 3.317,318 248.046,322 199.141,325 1.17,326 29.637,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 62.5,338 264,339 4.717,340 3.794,341 7.192,342 4.394,343 3.408,344 4.381,345 1.36,346 12.665,347 3.361,348 4.339,349 3.256,350 6.601,351 3.975,352 2.989,353 3.856,354 1.216,355 10.404,356 2.946,357 4.026,358 2.98,359 6.056,360 3.603,361 2.627,362 3.59,363 0.986,364 8.468,365 2.568,366 3.756,367 2.818,368 5.745,369 3.412,370 2.435,371 3.1,372 0.86,373 7.727,374 2.375,375 3.614,376 2.74,377 5.342,378 3.206,379 2.265,380 2.912,382 6.768,383 2.125,384 3.381,385 2.412,386 5.238,387 3.023,388 2.06,389 2.65,391 6.251,392 1.976,393 3.164,394 2.197,395 4.85,396 2.808,397 1.848,398 2.282,400 5.093,401 1.769,402 2.583,403 1.832,404 4.504,405 2.433,406 1.443,407 1.583,409 4.006,410 1.427,411 2.5,412 1.489,413 3.864,414 2.339,415 1.376,416 1.5,418 3.074,419 1.319,420 2.48,421 1.465,422 3.654,423 2,424 1,425 1.477,427 2.431,428 1,429 2.114,430 1.259,431 3.414,432 1.96,433 1,434 1.067,436 2.275,437 0.956,438 1.995,439 1.049,440 3.408,441 1.848,442 0.896,443 0.952,445 1.621,446 0.846,447 1.638,448 1,449 3.113,450 1.373,451 0.497,452 0.549,454 0.781,455 0.431,456 1.33,457 0.511,458 2.851,459 1.049,460 0.09,461 0.104,463 0.233,464 0.086,465 1.058,466 0.241,467 2.735,468 0.859,469 -0.101,470 -0.112,472 -0.258,473 -0.096,474 13.7,475 0.472,476 0.713,477 0.025,478 35,479 1.207,480 16.5,481 0.569,482 18.5,483 0.638,484 29.538,485 1.019,486 31.9,487 0.57,488 27.381,489 0.944,490 6.608,491 0.228,492 7.437,493 0.256,494 0.163,496 0.401,501 0.942,502 1.217,503 0.858,504 1.098,505 1.027,506 0.983,507 0.871,508 1.035,509 0.797,510 0.93,511 0.599,512 0.871,513 1.01,514 1.116,515 0.865,516 0.948,517 0.875,518 0.892,519 1.05,520 1.185,521 1.038,522 1.106,523 1.229,524 1.072,525 1.212,526 1.077,527 1.046,528 0.973,529 1.423,530 0.971,531 0.955,532 1.108,533 1.057,534 1.092,535 0.983,536 1.083,537 1.115,538 1.071,539 1.166,540 1.131,541 1.257,542 1.145,543 0.615,544 0.977,545 0.946,546 1.088,547 0.711,548 1.077,549 5,550 0.074,551 3.333,552 2.75,553 2.836,554 1.708,555 1.01,556 0.715,557 0.345,558 0.196,559 8846,560 21064,561 2.07,562 48.2,563 7,564 9,567 3,568 5,569 3,572 1.731,573 1.912,574 3.115,575 0.857,577 1,582 83.278,583 1.487,584 3.75,585 4.945,586 5.124,587 5.195,588 5.195,589 2.555,590 4.487,591 4.824,592 3.277,593 1330.48,594 8.472,595 16977.1,597 1,599 1,600 325.212,601 1.487,602 4.777,603 0.156,604 0.007,605 0.072,606 0.051,607 0.051,608 0.031,609 0.019,610 0.017,611 0.01,612 0.009,613 0.425,614 0.33,615 1,616 1.206,617 142.256,618 -0.067,619 -0.022,620 0.042,621 0.014,622 -0.116,623 0.043,624 0.1,625 0.047,626 0.149,627 0.127,628 0.146,629 0.139,630 -0.078,631 -0.027,632 0.086,633 0.079,634 -0.058,635 0.102,636 0.005,637 -0.064,638 -0.074,639 -0.104,640 0.02,641 -0.105,642 -0.155,643 -0.009,644 -0.064,645 0.001,646 -0.134,647 -0.011,648 0.047,649 -0.047,650 -0.084,651 -0.11,652 0.121,653 -0.115,654 -0.135,655 -0.068,656 -0.189,657 -0.151,658 -0.199,659 -0.169,660 0.284,661 -0.07,662 0.034,663 -0.103,664 0.151,665 -0.077,666 1.78,667 4.722,668 0.69,669 24.421,670 0.998,671 1.127,672 2.886,673 8.328,674 0.652,675 3.497,676 3.85,677 4.205,678 4.554,679 4.875,680 5.056,681 5.242,682 5.451,683 5.557,684 5.537,685 5.53,686 0.617,687 393.53,688 3.497,689 5.056,690 5.943,691 6.858,692 7.77,693 8.698,694 9.622,695 10.556,696 11.486,697 12.423,698 5.4,702 1,707 1,708 1,715 4,716 1,720 7,722 12,733 1,739 1,741 56,743 14,744 1,745 32,747 59,748 23,749 11,750 2,751 4,752 3,756 4,757 7,763 2,767 4,768 1,770 4,772 14,773 9,774 1,777 2,785 1,786 3,790 1,793 27,794 6,795 3,796 6,802 3,808 0.5,809 3,822 1,829 4,833 2,839 1,850 1,857 1,858 1,859 2,864 3,868 29,869 1,875 1,876 5,878 2,880 1,893 5.4,895 1,897 1,898 1,901 15.167,902 10.933,903 6.5,904 3.597,907 2.904,908 1.366,909 0.965,910 5.616,911 10.836,912 3.714,913 4.331,914 4.942,915 5.553,916 6.162,917 6.553,918 6.998,919 7.448,920 7.792,921 7.993,922 1,923 54,924 10.767,926 4.611,927 0.026,929 7.655,931 20.776,933 17.328,936 2.155,937 62.5,939 1,940 1,941 282.506,942 110.773,943 66.468,945 64.683,948 110.773,949 347.19,950 66.468,951 28.533,952 14.731,953 70.802,954 73.226,955 52.304,956 2.328,957 282.506,959 282.506,960 177.241,961 64.683,964 247.193,965 88.997,966 11,968 51.923,969 108.532,970 16.786,972 282.506,973 131.151,974 110.773,977 282.506,978 44.334,979 66.438,981 131.151,982 282.506,983 131.151,984 110.773,986 0.579,987 0.359,988 0.21,989 0.121,990 23,991 11,992 0.068,993 4,994 2,995 1.2,996 3.769,997 278.362,998 0.2,999 20,1000 134.881,1005 19.931,1006 8.172,1007 3.537,1009 131.151,1010 7.801,1011 4.877,1015 6.163,1017 75.581,1018 524.43,1019 40,1027 4.712,1028 1.207,1031 55.891,1032 63.106,1034 0.256,1035 0.646,1036 0.852,1037 0.882,1038 0.895,1039 0.895,1040 4.984,1041 1.443,1042 5.948,1043 5.093,1044 4.533,1045 5.017,1046 2.318,1047 6.841,1048 4.477,1049 6.206,1050 1.376,1051 7.555,1052 4.006,1053 4.205,1054 4.924,1055 1.06,1056 7.912,1057 4.141,1058 7.542,1059 1,1060 9.267,1061 3.074,1062 6.192,1063 7.235,1064 2.502,1065 11.093,1066 6.101,1067 8.916,1068 1,1069 11.042,1070 2.431,1071 6.698,1072 7.941,1073 1.679,1074 13.013,1075 6.602,1076 10.323,1077 0.896,1078 12.856,1079 2.275,1080 8.168,1081 9.748,1082 2.812,1083 15.738,1084 8.053,1085 11.753,1086 0.497,1087 14.699,1088 1.621,1089 9.056,1090 10.82,1091 2.248,1092 18.013,1093 8.936,1094 13.201,1095 0.09,1096 16.563,1097 0.781,1098 10.338,1099 12.425,1100 3.209,1101 20.595,1102 10.204,1103 3.408,1104 -0.101,1105 18.443,1106 0.233,1107 11.401,1108 13.682,1109 2.825,1110 23.019,1111 11.259,1112 2.989,1113 12.665,1114 20.337,1115 -0.258,1116 12.621,1117 15.2,1118 3.664,1119 25.558,1120 12.466,1121 2.627,1122 10.404,1123 22.242,1124 4.381,1125 13.764,1126 16.553,1127 3.415,1128 28.043,1129 13.599,1130 2.435,1131 8.468,1132 24.155,1133 3.856,1134 14.967,1135 18.034,1136 4.159,1137 30.572,1138 14.79,1139 2.265,1140 7.727,1141 26.077,1142 3.59,1143 16.147,1144 19.439,1145 4.015,1146 33.083,1147 15.957,1148 2.06,1149 6.768,1150 28.005,1151 3.1,1152 17.35,1153 20.906,1154 4.682,1155 35.612,1156 17.148,1157 1.848,1158 6.251,1159 29.938,1160 2.912,1161 18.547,1162 22.339,1163 4.622,1164 38.135,1165 18.332,1166 8634,1167 13444,1168 21.096,1169 36.517,1170 48.271,1171 48.784,1172 51.21,1173 47.807,1174 47.867,1175 60.008,1176 8.844,1177 143.593,1178 46.37,1179 5.662,1180 5.794,1181 6.961,1182 5.447,1183 5.408,1184 7.381,1185 2.576,1186 20.359,1187 5.361,1188 15.235,1189 1.508,1190 1.524,1191 1.6,1192 1.494,1193 1.496,1194 1.875,1195 0.276,1196 4.487,1197 1.449,1198 4.091,1199 4.12,1200 4.054,1201 4.01,1202 6.473,1203 4.016,1204 3.883,1205 3.912,1206 3.819,1207 3.805,1208 5.124,1209 3.804,1210 3.726,1211 3.759,1212 3.655,1213 3.607,1214 4.869,1215 3.612,1216 3.519,1217 3.577,1218 3.379,1219 3.325,1220 4.78,1221 3.328,1222 3.381,1223 3.454,1224 3.225,1225 3.223,1226 4.523,1227 3.21,1228 3.272,1229 3.331,1230 3.127,1231 3.044,1232 4.377,1233 3.053,1234 3.15,1235 3.224,1236 2.994,1237 2.939,1238 4.341,1239 2.934,1240 3.096,1241 3.178,1242 2.898,1243 2.88,1244 3.971,1245 2.872,1246 0.147,1247 0.119,1248 0.225,1249 0.137,1250 0.107,1251 4.717,1252 0.137,1253 3.794,1254 0.043,1255 7.192,1256 0.396,1257 4.394,1258 0.105,1259 3.408,1260 4.381,1261 1.36,1262 12.665,1263 3.361,1264 2.033,1265 2.008,1266 2.122,1267 2.133,1268 1.427,1269 2.13,1270 1.877,1271 1.848,1272 2.015,1273 1.981,1274 1.259,1275 1.992,1276 1.696,1277 1.663,1278 1.848,1279 1.852,1280 0.964,1281 1.851,1282 1.482,1283 1.421,1284 1.788,1285 1.724,1286 0.93,1287 1.745,1288 1.381,1289 1.317,1290 1.621,1291 1.577,1292 0.773,1293 1.596,1294 1.218,1295 1.155,1296 1.566,1297 1.512,1298 0.722,1299 1.53,1300 1.128,1301 1.05,1302 1.453,1303 1.367,1304 0.595,1305 1.389,1306 1.095,1307 1.016,1308 1.368,1309 1.35,1310 0.533,1311 1.365,1312 4.174,1314 5.517,1316 7.084,1318 8.762,1320 10.501,1322 5.359,1326 6.712,1327 10.722,1328 4.458,1330 10.796,1332 -0.306,1340 34.53,1341 83.278,1342 210.018,1343 276.947,1344 286.947,1345 290.947,1346 290.947,1347 53.717,1348 7.932,1349 89.96,1350 89.96,1351 24,1352 12.922,1353 3.907,1354 3.17,1355 44.126,1356 90,1357 122,1358 0.234,1359 210.773,1360 373.47,1361 506.047,1362 28325,1364 20.543,1365 0.708,1366 0.592,1367 20.543,1368 17.158,1369 14.045,1370 0.439,1371 0.316,1372 9.983,1373 13.515,1374 9.671,1375 8.027,1376 14.045,1377 10.113,1378 12.463,1379 0.271,1380 0.162,1381 12.463,1382 7.45,1383 11.035,1384 0.167,1385 0.087,1386 11.035,1387 5.737,1388 9.869,1389 0.105,1390 0.046,1391 9.869,1392 4.338,1393 8.203,1394 0.063,1395 0.025,1396 8.203,1397 3.216,1398 0.349,1399 87.978,1400 0.218,1401 26.539,1402 0.71,1403 156,1404 424.223,1405 169.936,1406 407.258,1407 569,1408 384,1409 190,1410 429.509,1411 203.303,1412 434.759,1413 644.96,1414 410,1415 6.423}
{0 CHEMBL470867,1 1.553,2 8.37,3 2.914,4 8.494,5 97.912,6 8.03,7 0.4,8 3.964,9 4.041,10 3.595,11 3.455,12 5.137,13 3.479,14 4.517,15 4.662,16 3.994,17 3.851,18 5.696,19 3.876,20 4.66,21 4.76,22 4.192,23 4.069,24 5.866,25 4.082,26 4.878,27 5.034,28 4.255,29 4.116,30 6.048,31 4.13,32 4.914,33 5.061,34 4.226,35 4.052,36 6.227,37 4.072,38 4.751,39 4.877,40 4.048,41 3.968,42 6.058,43 3.948,44 4.77,45 4.943,46 3.856,47 3.873,48 6.035,49 3.819,50 4.732,51 4.921,52 3.401,53 3.636,54 5.845,55 3.564,56 0.119,57 0.611,58 8.24,59 4.464,60 7.833,61 4.934,62 0.632,63 0.997,64 18.741,65 7.04,66 44.138,67 8.127,68 0.494,69 1.165,70 18.666,71 9.051,72 27.693,73 10.151,74 0.546,75 1.366,76 26.971,77 11.024,78 47.61,79 13.053,80 1.228,81 1.34,82 30.007,83 10.427,84 103.11,85 11.857,86 0.947,87 1.202,88 22.892,89 9.267,90 67.137,91 10.711,92 0.762,93 1.202,94 25.231,95 9.579,96 89.36,97 11.753,98 1.094,99 1.059,100 27.991,101 8.023,102 106.722,103 8.794,104 48,105 45,106 0.266,107 0.569,108 0.732,109 0.772,110 0.802,111 0.809,112 3.342,113 0.85,114 -3.77,115 -3.73,116 -3.55,121 43.5,123 1,126 4,127 1,144 3,145 5,146 4,160 2,176 8,179 2,180 9,187 8,191 2,192 17,200 6,206 17,214 5,218 5,219 8,227 4,231 7,232 5,239 3,243 3,244 5,251 2,256 1,268 2,269 1,281 997,282 18.171,283 18.171,284 18.171,285 18.171,286 18.171,287 16.545,288 23.422,289 10.285,290 18.8,291 14.669,292 14.669,293 14.669,294 14.669,295 14.669,296 11.79,297 26.027,298 4.693,299 15.456,300 3.971,301 2.207,302 1.256,303 1.022,304 0.848,305 0.805,306 4.036,310 1,311 1,312 1,313 483,314 3.536,318 173.814,322 366.701,324 182.07,325 1.3,326 38.664,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 60.5,338 226,339 4.817,340 3.874,341 7.282,342 4.458,343 3.479,344 4.57,345 1.674,346 13.052,347 3.404,348 4.321,349 3.663,350 6.59,351 3.925,352 2.942,353 3.993,354 1.674,355 10.424,356 2.898,357 4.023,358 3.193,359 6.214,360 3.67,361 2.726,362 3.397,363 0.86,364 9.137,365 2.545,366 3.754,367 3.137,368 5.936,369 3.376,370 2.416,371 3.121,372 0.86,373 8.133,374 2.312,375 3.493,376 2.697,377 5.529,378 3.22,379 2.271,380 2.775,381 0.8,382 6.903,383 2.165,384 3.278,385 2.544,386 5.1,387 3.017,388 2.059,389 2.395,391 5.763,392 1.953,393 3.135,394 2.418,395 4.842,396 2.841,397 1.873,398 2.164,400 5.062,401 1.785,402 2.969,403 2.138,404 4.628,405 2.569,406 1.656,407 2.102,409 4.943,410 1.502,411 2.814,412 1.897,413 4.327,414 2.357,415 1.39,416 1.875,418 3.787,419 1.329,420 2.032,421 1.534,422 3.697,423 1.772,424 0.852,425 0.961,427 2.022,428 0.772,429 1.785,430 1.129,431 3.281,432 1.514,433 0.581,434 0.647,436 1.164,437 0.537,438 1.642,439 0.945,440 3.196,441 1.397,442 0.503,443 0.567,445 0.859,446 0.442,447 1.397,448 0.908,449 2.951,450 0.993,451 0.034,452 0.042,454 0.068,455 0.032,456 1.16,457 0.62,458 2.898,459 0.803,460 -0.157,461 -0.197,463 -0.372,464 -0.148,465 1.007,466 0.18,467 2.53,468 0.693,469 -0.254,470 -0.311,472 -0.629,473 -0.241,474 12.4,475 0.459,476 0.802,477 0.03,478 35.25,479 1.306,480 17,481 0.63,482 18.25,483 0.676,484 22.663,485 0.839,486 29.6,487 0.643,488 29.782,489 1.103,490 7.25,491 0.269,492 5.705,493 0.211,494 0.215,496 0.476,501 0.784,502 1.358,503 0.679,504 1.212,505 0.575,506 0.974,507 0.978,508 0.613,509 0.689,510 0.577,511 0.56,512 0.533,513 0.79,514 1.085,515 0.74,516 1.091,517 0.698,518 0.937,519 0.97,520 1.099,521 0.703,522 1.07,523 0.905,524 0.864,525 1.191,526 0.901,527 0.919,528 0.861,529 1.212,530 0.823,531 0.881,532 1.199,533 1.1,534 1.228,535 1.187,536 1.235,537 0.929,538 1.31,539 1.129,540 1.317,541 1.164,542 1.293,543 1.931,544 0.903,545 1.708,546 0.897,547 1.96,548 1.17,549 5.5,550 0.058,551 3.333,552 2.313,553 3.071,554 1.75,555 1.156,556 0.531,557 0.258,558 0.156,559 6900,560 20548,561 2.053,562 41.3,564 17,569 2,572 1.713,573 1.862,574 3.013,575 -0.733,576 1,577 1,582 71.425,583 1.553,584 3.317,585 4.268,586 4.501,587 4.675,588 4.719,589 2.528,590 4.31,591 4.721,592 3.156,593 1107.72,594 8.264,595 13156.7,597 1,599 1,600 254.084,601 1.53,602 4.656,603 0.183,604 0.008,605 0.074,606 0.043,607 0.055,608 0.034,609 0.028,610 0.016,611 0.014,612 0.014,613 0.468,614 0.33,615 1,616 1.363,617 128.171,618 -0.046,619 -0.233,620 0.071,621 -0.15,622 -0.041,623 -0.036,624 -0.005,625 0.472,626 0.224,627 0.406,628 0.109,629 0.4,630 0.067,631 -0.02,632 0.08,633 -0.043,634 0.026,635 0.014,636 -0.04,637 -0.115,638 0.229,639 -0.059,640 0.006,641 0.119,642 0.058,643 0.067,644 0.085,645 0.104,646 0.056,647 0.103,648 0.179,649 -0.178,650 -0.186,651 -0.238,652 0.023,653 -0.309,654 0.037,655 -0.34,656 -0.163,657 -0.338,658 0.072,659 -0.319,660 -0.521,661 0.024,662 -0.612,663 0.005,664 -0.472,665 -0.264,666 2.19,667 5.878,668 0.593,669 21.325,670 1.022,671 1.119,672 2.536,673 6.432,674 0.665,675 3.434,676 3.829,677 4.205,678 4.605,679 5.011,680 5.273,681 5.509,682 5.666,683 5.872,684 5.932,685 5.083,686 0.653,687 369.4,688 3.434,689 5.017,690 5.922,691 6.862,692 7.799,693 8.752,694 9.703,695 10.661,696 11.617,697 12.577,698 2.2,701 1,715 3,720 9,722 12,732 2,739 2,741 46,743 14,744 2,745 30,747 49,748 20,749 12,750 9,751 3,752 2,756 4,757 14,770 1,772 14,773 6,777 2,782 2,786 2,789 1,790 1,793 19,794 7,796 7,802 1,808 0.25,809 6,829 4,833 5,835 2,855 1,859 1,864 4,868 27,876 2,878 4,881 1,893 13,896 2,898 4,901 14.5,902 9.95,903 5.944,904 2.611,907 2.729,908 1.333,909 0.973,910 4.423,911 10.925,912 3.664,913 4.304,914 4.966,915 5.647,916 6.321,917 6.792,918 7.254,919 7.63,920 8.091,921 8.385,922 0.833,923 54,924 10.05,926 4.418,927 0.026,929 7.92,931 18.704,933 15.393,936 2.42,937 65.333,940 1,941 223.651,942 122.912,943 3.124,945 94.289,948 122.912,949 317.94,950 3.124,951 38.559,952 4.64,953 28.429,954 64.673,955 84.025,957 223.651,959 223.651,960 126.036,961 94.289,964 200.109,965 117.832,968 7.765,969 118.272,972 223.651,973 97.414,974 122.912,977 223.651,978 55.924,979 70.112,981 94.289,982 223.651,983 97.414,984 122.912,986 0.589,987 0.36,988 0.212,989 0.136,990 24,991 12,992 0.102,993 5,994 5,995 1.5,996 3.532,997 260.663,998 0.625,999 14,1000 126.382,1005 17.984,1006 6.641,1007 2.721,1009 97.414,1010 4.943,1015 3.823,1018 443.977,1019 38,1024 25.397,1028 -1.02,1031 47.018,1032 51.492,1034 0.281,1035 0.6,1036 0.773,1037 0.815,1038 0.846,1039 0.854,1040 4.956,1041 1.656,1042 5.953,1043 5.062,1044 4.511,1045 4.99,1046 2.781,1047 6.884,1048 4.424,1049 6.195,1050 1.39,1051 7.585,1052 4.943,1053 4.29,1054 5.027,1055 0.325,1056 8.015,1057 4.191,1058 7.546,1059 0.852,1060 9.317,1061 3.787,1062 6.213,1063 7.252,1064 3.558,1065 11.203,1066 6.07,1067 8.933,1068 0.581,1069 11.108,1070 2.022,1071 6.781,1072 8.08,1073 0.268,1074 13.158,1075 6.631,1076 10.354,1077 0.503,1078 12.935,1079 1.164,1080 8.225,1081 9.844,1082 4.511,1083 15.903,1084 8.046,1085 11.798,1086 0.034,1087 14.79,1088 0.859,1089 9.155,1090 11.031,1091 0.188,1092 18.211,1093 8.967,1094 13.262,1095 -0.157,1096 16.664,1097 0.068,1098 10.436,1099 12.627,1100 5.519,1101 20.816,1102 10.226,1103 3.479,1104 -0.254,1105 18.555,1106 -0.372,1107 11.532,1108 13.981,1109 0.125,1110 23.272,1111 11.31,1112 2.942,1113 13.052,1114 20.458,1115 -0.629,1116 12.763,1117 15.516,1118 6.544,1119 25.838,1120 12.522,1121 2.726,1122 10.424,1123 22.372,1124 4.57,1125 13.933,1126 16.948,1127 0.082,1128 28.356,1129 13.677,1130 2.416,1131 9.137,1132 24.296,1133 3.993,1134 15.155,1135 18.46,1136 7.573,1137 30.914,1138 14.881,1139 2.271,1140 8.133,1141 26.227,1142 3.397,1143 16.359,1144 19.93,1145 0.054,1146 33.458,1147 16.068,1148 2.059,1149 6.903,1150 28.165,1151 3.121,1152 17.584,1153 21.437,1154 8.603,1155 36.017,1156 17.274,1157 1.873,1158 5.763,1159 30.108,1160 2.775,1161 18.806,1162 22.927,1163 0.035,1164 38.573,1165 18.476,1166 6844,1167 11987,1168 19.422,1169 30.585,1170 45.985,1171 48.738,1172 49.244,1173 45.52,1174 45.558,1175 57.218,1176 11.738,1177 142.635,1178 43.349,1179 5.714,1180 5.874,1181 6.821,1182 5.561,1183 5.479,1184 7.57,1185 3.349,1186 20.735,1187 5.404,1188 16.07,1189 1.533,1190 1.625,1191 1.641,1192 1.517,1193 1.519,1194 1.907,1195 0.391,1196 4.754,1197 1.445,1198 4.114,1199 4.112,1200 4.098,1201 4.037,1202 7.435,1203 4.05,1204 3.788,1205 3.82,1206 3.734,1207 3.706,1208 7.43,1209 3.709,1210 3.614,1211 3.681,1212 3.485,1213 3.402,1214 4.959,1215 3.41,1216 3.425,1217 3.414,1218 3.399,1219 3.159,1220 4.783,1221 3.214,1222 3.321,1223 3.358,1224 3.218,1225 3.062,1226 4.457,1227 3.09,1228 3.198,1229 3.251,1230 3.026,1231 2.99,1232 4.341,1233 2.987,1234 3.126,1235 3.192,1236 2.923,1237 2.845,1238 4.273,1239 2.849,1240 2.97,1241 3.017,1242 2.822,1243 2.753,1244 4.18,1245 2.744,1246 0.161,1247 0.129,1248 0.243,1249 0.149,1250 0.116,1251 4.817,1252 0.152,1253 3.874,1254 0.056,1255 7.282,1256 0.435,1257 4.458,1258 0.113,1259 3.479,1260 4.57,1261 1.674,1262 13.052,1263 3.404,1264 2.043,1265 2.043,1266 2.085,1267 2.134,1268 1.321,1269 2.114,1270 1.768,1271 1.746,1272 1.913,1273 1.908,1274 1.125,1275 1.914,1276 1.564,1277 1.492,1278 1.779,1279 1.786,1280 0.901,1281 1.785,1282 1.279,1283 1.263,1284 1.588,1285 1.565,1286 0.681,1287 1.558,1288 1.229,1289 1.182,1290 1.574,1291 1.545,1292 0.58,1293 1.547,1294 1.163,1295 1.104,1296 1.473,1297 1.409,1298 0.561,1299 1.415,1300 1.069,1301 1.009,1302 1.417,1303 1.369,1304 0.469,1305 1.335,1306 0.934,1307 0.877,1308 1.184,1309 1.239,1310 0.261,1311 1.308,1312 4.111,1314 5.485,1316 7.081,1318 8.796,1320 10.584,1322 6.905,1328 1.351,1330 21.911,1333 2.023,1340 30.051,1341 71.425,1342 152.574,1343 196.309,1344 207.064,1345 215.064,1346 217.064,1347 55.225,1348 8.195,1349 82.12,1350 82.12,1351 24,1352 13.06,1353 3.907,1354 3.17,1355 39.696,1356 81,1357 94,1358 0.252,1359 180.396,1360 325.94,1361 431.927,1362 36671,1364 19.292,1365 0.715,1366 0.576,1367 19.292,1368 15.543,1369 12.956,1370 0.432,1371 0.283,1372 8.294,1373 12.169,1374 7.987,1375 6.653,1376 12.956,1377 8.502,1378 12.031,1379 0.267,1380 0.148,1381 12.031,1382 6.669,1383 10.443,1384 0.158,1385 0.072,1386 10.443,1387 4.781,1388 9.424,1389 0.095,1390 0.035,1391 9.424,1392 3.494,1393 8.701,1394 0.058,1395 0.018,1396 8.701,1397 2.676,1398 0.37,1399 83.535,1400 0.227,1401 24.685,1402 0.778,1403 150,1404 530.058,1405 170.236,1406 486.795,1407 661.91,1408 456,1409 186,1410 485.318,1411 207.321,1412 488.081,1413 729.61,1414 453,1415 6.268}
{0 CHEMBL470907,1 1.357,2 13.103,3 5.207,4 27.116,5 117.463,6 6.956,7 0.581,8 4.087,9 4.198,10 3.595,11 3.649,12 5.17,13 3.61,14 4.607,15 4.784,16 3.884,17 3.996,18 5.603,19 3.94,20 4.795,21 4.976,22 4,23 4.149,24 5.83,25 4.068,26 4.949,27 5.17,28 3.938,29 4.169,30 5.937,31 4.061,32 4.964,33 5.196,34 3.877,35 4.185,36 5.919,37 4.057,38 4.925,39 5.167,40 3.791,41 4.171,42 5.838,43 4.011,44 4.91,45 5.181,46 3.669,47 4.032,48 5.807,49 3.874,50 4.629,51 4.859,52 3.525,53 3.833,54 5.573,55 3.703,56 0.029,57 0.714,58 12.024,59 5.539,60 9.289,61 7.208,62 0.217,63 1.156,64 22.108,65 8.592,66 21.791,67 11.373,68 0.255,69 1.385,70 26.469,71 10.867,72 31.98,73 14.605,74 0.276,75 1.56,76 32.138,77 12.369,78 47.456,79 16.79,80 0.433,81 1.566,82 33.017,83 12.795,84 53.802,85 17.442,86 0.245,87 1.529,88 30.903,89 13.198,90 42.081,91 18.43,92 0.329,93 1.438,94 31.898,95 12.435,96 52.879,97 17.303,98 0.21,99 1.104,100 23.446,101 9.284,102 35.15,103 12.552,104 26,105 41,106 0.223,107 0.494,108 0.652,109 0.767,110 0.807,111 0.818,112 3.407,113 0.945,114 -5.39,115 -5.27,116 -4.92,121 44.6,122 1,126 2,127 3,144 12,145 4,146 2,159 1,176 15,180 7,187 15,191 1,192 12,200 11,206 9,214 10,218 1,219 4,227 15,231 1,232 3,239 16,243 1,244 5,251 13,256 5,264 8,269 4,277 6,281 1336,282 19.972,283 19.972,284 19.972,285 19.972,286 19.972,287 17.744,288 20.88,289 11.869,290 20.427,291 15.098,292 15.098,293 15.098,294 15.098,295 15.098,296 11.669,297 25.848,298 5.385,299 15.584,300 4.451,301 2.797,302 1.836,303 1.139,304 0.898,305 0.826,306 4.091,311 1,312 1,313 799,314 3.742,318 336.641,325 2.107,326 20.891,329 0.75,330 1,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.84,337 61.5,338 380,339 4.398,340 3.589,341 6.429,342 4.041,343 3.038,344 4.036,345 0.995,346 9.852,347 3.057,348 4.132,349 3.161,350 6.1,351 3.744,352 2.782,353 3.717,354 0.86,355 8.828,356 2.671,357 3.948,358 3.075,359 5.663,360 3.649,361 2.686,362 3.457,363 0.86,364 7.926,365 2.585,366 3.812,367 2.676,368 5.366,369 3.438,370 2.442,371 3.221,372 0.359,373 7.002,374 2.425,375 3.394,376 2.298,377 5.147,378 3.082,379 2.12,380 2.642,382 6.133,383 2.032,384 3.169,385 2.196,386 4.832,387 2.839,388 1.86,389 2.307,391 5.404,392 1.814,393 2.919,394 1.976,395 4.374,396 2.521,397 1.609,398 2.057,400 4.129,401 1.461,402 2.825,403 1.834,404 3.725,405 2.41,406 1.415,407 1.936,409 3.024,410 1.407,411 2.517,412 1.51,413 3.582,414 2,415 1,416 1.5,418 2.35,419 1,420 2.5,421 1.051,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1,431 3.247,432 1.994,433 0.967,434 1.385,436 2.136,437 0.981,438 1.866,439 1,440 3.024,441 1.534,442 0.618,443 0.746,445 1.126,446 0.559,447 1.491,448 0.934,449 2.884,450 1.394,451 0.421,452 0.441,454 0.626,455 0.408,456 1.451,457 0.604,458 2.729,459 1.182,460 0.325,461 0.356,463 0.435,464 0.276,465 1.282,466 0.377,467 2.559,468 1.018,469 0.036,470 0.042,472 0.093,473 0.035,474 13.9,475 0.479,476 0.533,477 0.018,478 38,479 1.31,480 20.5,481 0.707,482 17.5,483 0.603,484 22.695,485 0.783,486 31.1,487 0.555,488 29.484,489 1.017,490 7.983,491 0.275,492 6.155,493 0.212,494 0.132,496 0.281,501 0.767,502 1.252,503 0.843,504 1.135,505 0.626,506 1.019,507 1.295,508 0.897,509 0.96,510 0.836,511 0.792,512 0.842,513 0.84,514 1.187,515 0.985,516 1.135,517 0.768,518 1.083,519 1.125,520 1.094,521 1.036,522 1.054,523 1.318,524 1.033,525 1.037,526 0.925,527 1.049,528 0.938,529 1.102,530 0.985,531 0.386,532 1.121,533 0.969,534 1.166,535 0.559,536 1.146,537 0.827,538 0.87,539 0.884,540 0.895,541 1.198,542 0.901,543 1.098,544 1.059,545 1.056,546 1.054,547 1.319,548 1.054,549 5.5,550 0.149,551 2.889,552 1.875,553 1.467,554 0.889,555 0.647,556 0.307,557 0.238,558 0.189,559 11413,560 27783,561 2.033,562 48.2,564 24,569 3,572 1.715,573 1.912,574 3.677,575 -0.853,582 75.979,583 1.357,584 3.01,585 3.972,586 4.669,587 4.91,588 4.981,589 3.108,590 4.513,591 4.828,592 3.841,593 1559.27,594 8.386,595 22139.7,600 325.212,601 1.358,602 4.792,603 0.177,604 0.007,605 0.07,606 0.043,607 0.037,608 0.023,609 0.019,610 0.01,611 0.009,612 0.009,613 0.405,614 0.33,615 1,616 0.9,617 150.33,618 0.017,619 -0.139,620 0.057,621 -0.074,622 -0.023,623 -0.016,624 -0.149,625 0.188,626 0.017,627 0.153,628 -0.046,629 0.118,630 0.098,631 -0.137,632 -0.033,633 -0.13,634 0.126,635 -0.102,636 -0.071,637 -0.086,638 -0.05,639 -0.079,640 -0.033,641 -0.064,642 -0.019,643 0.065,644 -0.065,645 0.042,646 -0.027,647 -0.007,648 0.153,649 -0.148,650 -0.041,651 -0.155,652 0.106,653 -0.127,654 0.045,655 0.065,656 0.103,657 0.081,658 -0.01,659 0.094,660 -0.08,661 -0.092,662 -0.074,663 -0.066,664 -0.133,665 -0.071,666 1.7,667 5.838,668 0.621,669 32.007,670 0.992,671 1.117,672 4.157,673 17.278,674 0.665,675 3.466,676 3.738,677 3.989,678 4.174,679 4.369,680 4.357,681 4.443,682 4.466,683 4.477,684 4.533,685 7.632,686 0.625,687 389.53,688 3.466,689 4.977,690 5.808,691 6.658,692 7.504,693 8.359,694 9.209,695 10.066,696 10.919,697 11.778,698 1.8,701 1,715 12,720 6,722 18,727 1,739 2,741 56,743 19,744 3,745 31,747 58,748 25,749 18,750 6,751 12,752 1,756 3,757 3,763 1,772 19,773 6,777 1,782 1,786 1,793 27,794 4,796 4,802 1,808 1,809 3,829 3,855 1,859 3,864 3,868 29,876 3,878 2,881 1,893 5.4,896 1,898 2,901 15.167,902 10.95,903 6.75,904 3.307,907 3.02,908 1.419,909 0.957,910 7.314,911 10.233,912 3.738,913 4.284,914 4.838,915 5.332,916 5.849,917 5.942,918 6.231,919 6.425,920 6.695,921 7.044,922 0.889,923 44,924 10.709,926 4.348,927 0.026,929 7.644,931 20.632,933 16.228,936 2.144,937 62.167,941 317.82,942 178.986,943 3.124,945 47.145,948 178.986,949 364.964,950 3.124,951 30.591,952 6.317,953 113.715,954 30.278,955 48.353,957 317.82,959 317.82,960 182.11,961 47.145,964 282.506,965 82.458,968 18.267,969 163.844,972 317.82,973 50.269,974 178.986,977 317.82,978 34.68,979 147.431,981 47.145,982 317.82,983 50.269,984 178.986,986 0.563,987 0.342,988 0.18,989 0.096,990 17,991 8,992 0.155,993 9,995 1,996 4.103,997 238.034,999 18,1000 132.881,1005 20.942,1006 10.128,1007 5.392,1009 50.269,1010 23.538,1015 4.884,1018 547.075,1019 41,1024 12.838,1028 -0.033,1031 55.571,1032 62.524,1034 0.234,1035 0.518,1036 0.684,1037 0.804,1038 0.845,1039 0.858,1040 4.938,1041 1.415,1042 5.765,1043 4.129,1044 4.419,1045 4.97,1046 1.793,1047 6.526,1048 4.37,1049 6.118,1050 1,1051 7.296,1052 3.024,1053 3.892,1054 4.605,1055 0.325,1056 7.341,1057 3.832,1058 7.4,1059 1,1060 8.925,1061 2.35,1062 5.969,1063 7.099,1064 1.535,1065 10.391,1066 5.886,1067 8.718,1068 0.967,1069 10.611,1070 2.275,1071 6.275,1072 7.544,1073 0.504,1074 12.007,1075 6.186,1076 10.067,1077 0.618,1078 12.334,1079 2.136,1080 7.778,1081 9.49,1082 1.342,1083 14.56,1084 7.677,1085 11.437,1086 0.421,1087 14.081,1088 1.126,1089 8.471,1090 10.324,1091 0.585,1092 16.514,1093 8.368,1094 12.823,1095 0.325,1096 15.846,1097 0.626,1098 9.732,1099 12.015,1100 1.189,1101 18.888,1102 9.624,1103 3.038,1104 0.036,1105 17.624,1106 0.435,1107 10.618,1108 13.064,1109 0.622,1110 21,1111 10.512,1112 2.782,1113 9.852,1114 19.412,1115 0.093,1116 11.772,1117 14.617,1118 1.066,1119 23.306,1120 11.666,1121 2.686,1122 8.828,1123 21.209,1124 4.036,1125 12.754,1126 15.793,1127 0.639,1128 25.495,1129 12.654,1130 2.442,1131 7.926,1132 23.013,1133 3.717,1134 13.863,1135 17.269,1136 0.969,1137 27.775,1138 13.768,1139 2.12,1140 7.002,1141 24.822,1142 3.457,1143 14.895,1144 18.523,1145 0.646,1146 30.003,1147 14.808,1148 1.86,1149 6.133,1150 26.637,1151 3.221,1152 15.986,1153 19.955,1154 0.891,1155 32.275,1156 15.908,1157 1.609,1158 5.404,1159 28.456,1160 2.642,1161 17.044,1162 21.258,1163 0.648,1164 34.524,1165 16.977,1166 11155,1167 17560,1168 20.572,1169 37.267,1170 44.814,1171 46.433,1172 46.966,1173 44.564,1174 44.637,1175 58.69,1176 6.147,1177 122.678,1178 43.423,1179 5.264,1180 5.589,1181 6.231,1182 5.044,1183 5.038,1184 7.036,1185 1.855,1186 16.683,1187 5.057,1188 14.405,1189 1.446,1190 1.498,1191 1.515,1192 1.438,1193 1.44,1194 1.893,1195 0.198,1196 3.957,1197 1.401,1198 4.021,1199 4.044,1200 3.972,1201 3.95,1202 7.427,1203 3.951,1204 3.915,1205 3.944,1206 3.847,1207 3.847,1208 4.925,1209 3.842,1210 3.846,1211 3.869,1212 3.785,1213 3.776,1214 4.762,1215 3.775,1216 3.586,1217 3.658,1218 3.459,1219 3.404,1220 4.69,1221 3.406,1222 3.337,1223 3.371,1224 3.241,1225 3.142,1226 4.496,1227 3.158,1228 3.247,1229 3.314,1230 3.051,1231 2.992,1232 4.266,1233 2.976,1234 3.178,1235 3.264,1236 2.966,1237 2.952,1238 4.195,1239 2.959,1240 3.076,1241 3.133,1242 2.907,1243 2.901,1244 3.779,1245 2.894,1246 0.142,1247 0.116,1248 0.207,1249 0.13,1250 0.098,1251 4.398,1252 0.13,1253 3.589,1254 0.032,1255 6.429,1256 0.318,1257 4.041,1258 0.099,1259 3.038,1260 4.036,1261 0.995,1262 9.852,1263 3.057,1264 1.973,1265 1.955,1266 2.077,1267 2.065,1268 1.257,1269 2.069,1270 1.912,1271 1.883,1272 2.031,1273 2.008,1274 1.144,1275 2.015,1276 1.835,1277 1.815,1278 1.943,1279 1.933,1280 1.061,1281 1.939,1282 1.567,1283 1.493,1284 1.831,1285 1.774,1286 0.978,1287 1.796,1288 1.275,1289 1.236,1290 1.576,1291 1.533,1292 0.699,1293 1.544,1294 1.192,1295 1.116,1296 1.573,1297 1.522,1298 0.58,1299 1.538,1300 1.183,1301 1.104,1302 1.514,1303 1.423,1304 0.574,1305 1.461,1306 1.075,1307 1.014,1308 1.331,1309 1.264,1310 0.533,1311 1.283,1312 4.143,1314 5.425,1316 6.913,1318 8.485,1320 10.099,1322 5.309,1328 2.709,1330 10.546,1333 2.375,1340 35.014,1341 75.979,1342 168.569,1343 222.418,1344 261.437,1345 274.947,1346 278.947,1347 52.062,1348 7.213,1349 38.77,1350 38.77,1351 18,1352 12.33,1353 4.322,1354 3.459,1355 52.764,1356 136,1357 120,1358 0.191,1359 217.908,1360 382.25,1361 523.455,1362 13345,1364 20.64,1365 0.712,1366 0.594,1367 20.64,1368 17.221,1369 14.139,1370 0.456,1371 0.315,1372 9.633,1373 13.662,1374 9.272,1375 7.804,1376 14.139,1377 9.762,1378 11.799,1379 0.288,1380 0.168,1381 11.799,1382 6.885,1383 10.243,1384 0.193,1385 0.094,1386 10.243,1387 4.964,1388 8.008,1389 0.125,1390 0.051,1391 8.008,1392 3.285,1393 6.377,1394 0.082,1395 0.029,1396 6.377,1397 2.265,1398 0.309,1399 88.254,1400 0.22,1401 28.095,1402 0.502,1403 144,1404 406.852,1405 153.942,1406 390.758,1407 531.22,1408 368,1409 166,1410 377.84,1411 177.08,1412 390.646,1413 563.27,1414 363,1415 6.244}
{0 CHEMBL471581,1 1.357,2 13.207,3 5.345,4 28.566,5 117.756,6 6.956,7 0.581,8 4.087,9 4.198,10 3.595,11 3.649,12 5.176,13 3.61,14 4.607,15 4.787,16 3.896,17 4.003,18 5.603,19 3.95,20 4.772,21 4.929,22 4.006,23 4.167,24 5.844,25 4.084,26 4.985,27 5.223,28 3.934,29 4.172,30 5.957,31 4.058,32 4.907,33 5.12,34 3.826,35 4.143,36 5.901,37 4.014,38 4.923,39 5.193,40 3.726,41 4.095,42 5.79,43 3.932,44 4.782,45 5.031,46 3.632,47 3.951,48 5.724,49 3.811,50 4.628,51 4.865,52 3.543,53 3.826,54 5.576,55 3.702,56 0.029,57 0.714,58 12.024,59 5.539,60 9.433,61 7.208,62 0.228,63 1.153,64 22.162,65 8.594,66 21.341,67 11.372,68 0.212,69 1.356,70 25.302,71 10.945,72 30.608,73 14.498,74 0.297,75 1.603,76 33.719,77 12.813,78 50.136,79 17.562,80 0.397,81 1.491,82 30.782,83 12.043,84 52.263,85 16.26,86 0.298,87 1.509,88 31.691,89 12.73,90 43.627,91 18.097,92 0.294,93 1.274,94 27.702,95 10.888,96 46.625,97 14.918,98 0.218,99 1.098,100 23.561,101 9.244,102 36.571,103 12.538,104 30,105 42,106 0.223,107 0.5,108 0.673,109 0.79,110 0.828,111 0.845,112 3.407,113 0.929,114 -5.39,115 -5.27,116 -4.92,121 44.6,122 1,126 3,127 2,144 11,145 5,146 2,159 1,176 16,180 6,187 17,191 1,192 12,200 13,206 9,214 9,218 1,219 5,227 11,231 1,232 3,239 12,243 1,244 5,251 12,256 5,264 10,269 3,277 7,281 1345,282 19.549,283 19.549,284 19.549,285 19.549,286 19.549,287 17.297,288 21.724,289 11.482,290 19.968,291 15.154,292 15.154,293 15.154,294 15.154,295 15.154,296 11.652,297 27.022,298 5.281,299 15.613,300 4.451,301 2.765,302 1.711,303 0.996,304 0.768,305 0.661,306 4.088,311 1,312 1,313 805,314 3.674,318 334.967,325 2.214,326 20.821,329 0.75,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.86,337 61.5,338 383,339 4.398,340 3.589,341 6.429,342 4.04,343 3.037,344 4.036,345 0.995,346 9.852,347 3.057,348 4.132,349 3.161,350 6.099,351 3.745,352 2.78,353 3.718,354 0.86,355 8.827,356 2.69,357 4.057,358 3.051,359 5.626,360 3.689,361 2.71,362 3.651,363 0.86,364 7.809,365 2.641,366 3.829,367 2.758,368 5.435,369 3.495,370 2.509,371 3.223,372 0.359,373 7.214,374 2.463,375 3.432,376 2.422,377 5.155,378 3.14,379 2.171,380 2.666,382 6.144,383 2.099,384 3.291,385 2.199,386 4.879,387 2.921,388 1.929,389 2.559,391 5.613,392 1.909,393 2.952,394 2.085,395 4.498,396 2.661,397 1.696,398 2.057,400 4.602,401 1.629,402 2.919,403 1.937,404 4.373,405 2.521,406 1.608,407 2.024,409 4.127,410 1.461,411 2.65,412 1.795,413 3.717,414 2.181,415 1.182,416 1.715,418 2.591,419 1.18,420 2.509,421 1.231,422 3.479,423 2,424 1,425 1.5,427 2.337,428 1,429 2.5,430 1.051,431 3.414,432 1.985,433 0.958,434 1.375,436 2.275,437 0.971,438 1.865,439 1,440 3.024,441 1.53,442 0.613,443 0.744,445 1.122,446 0.555,447 1.452,448 0.934,449 2.922,450 1.183,451 0.328,452 0.359,454 0.44,455 0.278,456 1.293,457 0.405,458 2.58,459 1.021,460 0.038,461 0.045,463 0.101,464 0.037,465 1.034,466 0.083,467 2.414,468 0.719,469 -0.266,470 -0.318,472 -0.623,473 -0.261,474 13.9,475 0.479,476 0.677,477 0.023,478 38,479 1.31,480 20.5,481 0.707,482 17.5,483 0.603,484 22.76,485 0.785,486 31.1,487 0.555,488 29.842,489 1.029,490 8.041,491 0.277,492 5.954,493 0.205,494 0.168,496 0.317,501 0.767,502 1.252,503 0.843,504 1.135,505 0.639,506 1.019,507 1.301,508 0.784,509 0.913,510 0.747,511 0.775,512 0.763,513 0.8,514 1.34,515 1.068,516 1.297,517 0.818,518 1.23,519 1.075,520 1.01,521 0.958,522 0.969,523 1.253,524 0.948,525 1.107,526 1.111,527 1.193,528 1.111,529 1.213,530 1.154,531 0.428,532 0.939,533 0.847,534 0.97,535 0.519,536 0.959,537 0.943,538 0.936,539 0.957,540 0.96,541 1.353,542 0.965,543 1.088,544 0.966,545 0.97,546 0.954,547 1.255,548 0.952,549 6.5,550 0.161,551 3.111,552 2.188,553 1.578,554 1,555 0.606,556 0.314,557 0.263,558 0.199,559 11617,560 28119,561 2.013,562 48.2,563 3,564 24,572 1.714,573 1.871,574 3.684,575 -0.853,582 75.979,583 1.357,584 3.042,585 4.096,586 4.811,587 5.039,588 5.146,589 3.125,590 4.651,591 4.828,592 3.875,593 1573.11,594 8.377,595 22517.9,600 325.212,601 1.453,602 4.78,603 0.21,604 0.008,605 0.074,606 0.05,607 0.039,608 0.029,609 0.019,610 0.011,611 0.01,612 0.009,613 0.459,614 0.33,615 1,616 0.871,617 150.856,618 0.017,619 -0.139,620 0.057,621 -0.074,622 -0.036,623 -0.016,624 -0.153,625 0.301,626 0.067,627 0.242,628 -0.03,629 0.197,630 0.102,631 -0.294,632 -0.135,633 -0.268,634 0.085,635 -0.238,636 -0.047,637 -0.017,638 0.034,641 0.024,642 -0.043,643 -0.108,644 -0.214,645 -0.126,646 -0.088,647 -0.182,648 0.165,649 0.028,650 0.106,651 0.014,652 0.159,653 0.05,654 0.018,655 0.016,656 0.029,657 0.022,658 -0.044,659 0.024,660 -0.065,661 -0.004,662 0.018,663 0.031,664 -0.066,665 0.032,666 1.703,667 5.814,668 0.621,669 32.35,670 0.992,671 1.117,672 4.157,673 17.278,674 0.665,675 3.466,676 3.761,677 3.989,678 4.19,679 4.357,680 4.369,681 4.419,682 4.443,683 4.419,684 4.533,685 7.807,686 0.625,687 389.53,688 3.466,689 4.99,690 5.82,691 6.678,692 7.52,693 8.381,694 9.227,695 10.09,696 10.939,697 11.802,698 1.8,701 1,715 11,720 7,722 18,727 1,739 2,741 56,743 19,744 3,745 31,747 58,748 25,749 18,750 7,751 11,752 1,756 3,757 3,763 1,772 19,773 6,777 1,782 1,786 1,793 27,794 4,796 4,802 1,808 1,809 3,829 3,855 1,859 3,864 4,868 29,876 2,878 2,881 1,893 5.4,896 1,898 2,901 15.5,902 11.367,903 6.583,904 3.101,907 3.092,908 1.426,909 0.957,910 6.946,911 10.346,912 3.738,913 4.311,914 4.858,915 5.365,916 5.867,917 5.983,918 6.218,919 6.408,920 6.65,921 7.053,922 0.889,923 44,924 10.704,926 4.353,927 0.026,929 7.649,931 20.59,933 16.217,936 2.149,937 62.333,941 317.82,942 178.986,943 3.124,945 47.145,948 178.986,949 364.964,950 3.124,951 38.988,952 4.211,953 104.239,954 30.278,955 51.539,957 317.82,959 317.82,960 182.11,961 47.145,964 317.82,965 47.145,968 16.161,969 165.949,972 317.82,973 50.269,974 178.986,977 317.82,978 35.76,979 146.351,981 47.145,982 317.82,983 50.269,984 178.986,986 0.573,987 0.338,988 0.178,989 0.092,990 18,991 9,992 0.138,993 8,995 1,996 4.095,997 237.835,999 18,1000 134.881,1005 20.942,1006 9.618,1007 5.392,1009 50.269,1010 21.574,1015 6.128,1018 547.075,1019 41,1024 12.814,1028 -0.036,1031 55.571,1032 62.524,1034 0.234,1035 0.524,1036 0.705,1037 0.828,1038 0.868,1039 0.886,1040 4.952,1041 1.608,1042 5.796,1043 4.602,1044 4.443,1045 4.997,1046 1.793,1047 6.564,1048 4.397,1049 6.15,1050 1.182,1051 7.334,1052 4.127,1053 4.007,1054 4.732,1055 0.325,1056 7.376,1057 3.955,1058 7.443,1059 1,1060 8.965,1061 2.591,1062 6.004,1063 7.149,1064 1.535,1065 10.42,1066 5.931,1067 8.769,1068 0.958,1069 10.65,1070 2.337,1071 6.347,1072 7.649,1073 0.504,1074 12.015,1075 6.272,1076 10.123,1077 0.613,1078 12.369,1079 2.275,1080 7.816,1081 9.553,1082 1.342,1083 14.574,1084 7.729,1085 11.496,1086 0.328,1087 14.112,1088 1.122,1089 8.525,1090 10.424,1091 0.585,1092 16.514,1093 8.439,1094 12.885,1095 0.038,1096 15.871,1097 0.44,1098 9.77,1099 12.089,1100 1.189,1101 18.893,1102 9.679,1103 3.037,1104 -0.266,1105 17.645,1106 0.101,1107 10.662,1108 13.162,1109 0.622,1110 20.998,1111 10.574,1112 2.78,1113 9.852,1114 19.429,1115 -0.623,1116 11.807,1117 14.699,1118 1.066,1119 23.305,1120 11.72,1121 2.71,1122 8.827,1123 21.222,1124 4.036,1125 12.792,1126 15.889,1127 0.639,1128 25.491,1129 12.71,1130 2.509,1131 7.809,1132 23.023,1133 3.718,1134 13.895,1135 17.354,1136 0.969,1137 27.772,1138 13.818,1139 2.171,1140 7.214,1141 24.831,1142 3.651,1143 14.927,1144 18.615,1145 0.646,1146 29.999,1147 14.858,1148 1.929,1149 6.144,1150 26.643,1151 3.223,1152 16.015,1153 20.04,1154 0.891,1155 32.271,1156 15.953,1157 1.696,1158 5.613,1159 28.461,1160 2.666,1161 17.072,1162 21.345,1163 0.648,1164 34.52,1165 17.02,1166 11355,1167 17827,1168 20.285,1169 37.267,1170 45.585,1171 47.036,1172 47.65,1173 45.036,1174 45.122,1175 59.344,1176 6.147,1177 126.109,1178 43.94,1179 5.266,1180 5.589,1181 5.986,1182 5.046,1183 5.037,1184 7.036,1185 1.855,1186 16.683,1187 5.057,1188 16.147,1189 1.47,1190 1.517,1191 1.537,1192 1.453,1193 1.456,1194 1.914,1195 0.198,1196 4.068,1197 1.417,1198 4.022,1199 4.045,1200 3.972,1201 3.952,1202 7.427,1203 3.953,1204 3.931,1205 3.957,1206 3.866,1207 3.871,1208 4.925,1209 3.866,1210 3.85,1211 3.872,1212 3.791,1213 3.777,1214 4.753,1215 3.777,1216 3.533,1217 3.605,1218 3.42,1219 3.339,1220 4.688,1221 3.348,1222 3.319,1223 3.357,1224 3.219,1225 3.118,1226 4.496,1227 3.134,1228 3.247,1229 3.314,1230 3.051,1231 3.006,1232 4.267,1233 2.991,1234 3.172,1235 3.256,1236 2.978,1237 2.952,1238 4.183,1239 2.96,1240 3.083,1241 3.141,1242 2.905,1243 2.888,1244 3.882,1245 2.879,1246 0.142,1247 0.116,1248 0.207,1249 0.13,1250 0.098,1251 4.398,1252 0.13,1253 3.589,1254 0.032,1255 6.429,1256 0.318,1257 4.04,1258 0.099,1259 3.037,1260 4.036,1261 0.995,1262 9.852,1263 3.057,1264 1.974,1265 1.955,1266 2.081,1267 2.065,1268 1.247,1269 2.07,1270 1.931,1271 1.905,1272 2.043,1273 2.017,1274 1.166,1275 2.026,1276 1.836,1277 1.816,1278 1.942,1279 1.938,1280 1.064,1281 1.941,1282 1.494,1283 1.423,1284 1.742,1285 1.723,1286 0.882,1287 1.733,1288 1.252,1289 1.211,1290 1.576,1291 1.525,1292 0.646,1293 1.54,1294 1.198,1295 1.119,1296 1.569,1297 1.519,1298 0.578,1299 1.533,1300 1.191,1301 1.114,1302 1.545,1303 1.415,1304 0.574,1305 1.465,1306 1.072,1307 1.006,1308 1.366,1309 1.281,1310 0.51,1311 1.303,1312 4.143,1314 5.442,1316 6.936,1318 8.514,1320 10.132,1322 7.352,1328 1.701,1330 10.537,1333 2.264,1340 35.014,1341 75.979,1342 170.349,1343 229.384,1344 269.437,1345 282.192,1346 288.192,1347 52.457,1348 7.254,1349 38.77,1350 38.77,1351 18,1352 12.353,1353 4.322,1354 3.459,1355 52.868,1356 139,1357 116,1358 0.187,1359 217.908,1360 382.25,1361 523.455,1362 14359,1364 20.803,1365 0.717,1366 0.601,1367 20.803,1368 17.437,1369 13.995,1370 0.451,1371 0.31,1372 9.463,1373 13.519,1374 9.024,1375 7.636,1376 13.995,1377 9.596,1378 12.264,1379 0.292,1380 0.173,1381 12.264,1382 7.257,1383 10.124,1384 0.191,1385 0.091,1386 10.124,1387 4.849,1388 8.221,1389 0.126,1390 0.052,1391 8.221,1392 3.395,1393 6.174,1394 0.08,1395 0.028,1396 6.174,1397 2.158,1398 0.303,1399 87.473,1400 0.222,1401 28.184,1402 0.486,1403 146,1404 410.852,1405 155.609,1406 396.247,1407 536.73,1408 372,1409 168,1410 380.488,1411 178.914,1412 397.261,1413 569.65,1414 366,1415 5.783}
{0 CHEMBL473866,1 1.416,2 17.897,3 7.899,4 62.394,5 161.703,6 7.121,7 0.591,8 4.413,9 4.539,10 3.953,11 4.004,12 5.367,13 3.954,14 4.987,15 5.166,16 4.311,17 4.426,18 5.884,19 4.343,20 5.288,21 5.53,22 4.386,23 4.555,24 6.107,25 4.443,26 5.279,27 5.521,28 4.338,29 4.522,30 6.118,31 4.405,32 5.259,33 5.5,34 4.216,35 4.513,36 6.034,37 4.372,38 5.301,39 5.558,40 4.152,41 4.513,42 6.034,43 4.334,44 5.3,45 5.585,46 4.004,47 4.431,48 5.96,49 4.218,50 5.191,51 5.486,52 3.877,53 4.277,54 5.874,55 4.068,56 0.076,57 1.074,58 16.817,59 7.243,60 9.565,61 10.003,62 0.194,63 1.807,64 32.1,65 12.803,66 23.394,67 17.84,68 0.365,69 2.293,70 47.941,71 17.068,72 38.883,73 24.175,74 0.533,75 2.287,76 47.131,77 16.418,78 46.506,79 23.368,80 0.37,81 2.209,82 44.812,83 16.812,84 36.447,85 23.705,86 0.426,87 2.235,88 48.156,89 18.311,90 39.098,91 25.953,92 0.339,93 2.15,94 51.688,95 18.833,96 35.231,97 26.743,98 0.411,99 1.909,100 49.64,101 16.389,102 39.105,103 23.291,104 2,105 60,106 0.216,107 0.531,108 0.719,109 0.867,110 0.901,111 0.905,112 3.692,113 1.011,114 -5.61,115 -5.48,116 -5.11,121 43.4,123 8,127 4,144 10,145 4,146 3,148 2,154 2,176 15,180 7,185 9,187 19,192 6,197 6,200 13,206 6,209 2,210 1,211 7,214 17,219 2,224 1,227 19,232 2,235 1,237 5,239 20,249 4,251 10,256 1,259 1,261 8,264 9,274 3,277 7,281 3026,282 27.38,283 27.38,284 27.38,285 27.38,286 27.38,287 24.385,288 25.1,289 16.798,290 27.883,291 21.845,292 21.845,293 21.845,294 21.845,295 21.845,296 17.205,297 28.863,298 8.087,299 22.712,300 4.832,301 2.766,302 1.533,303 0.563,304 0.342,305 0.316,306 4.417,308 1,313 1579,314 4.062,317 77.384,318 505.152,321 302.227,322 338.236,325 2.444,326 21.863,329 0.5,330 0.5,331 0.67,332 0.7,333 0.5,334 0.67,335 0.5,336 0.58,337 81.333,338 698,339 4.759,340 3.373,341 6.937,342 4.255,343 3.275,344 4.858,345 0.86,346 11.741,347 3.207,348 4.651,349 3.338,350 6.833,351 4.214,352 3.235,353 4.582,354 0.4,355 11.364,356 3.165,357 3.99,358 2.943,359 6.004,360 3.58,361 2.61,362 3.551,363 0.4,364 8.477,365 2.532,366 3.909,367 2.699,368 5.796,369 3.433,370 2.47,371 3.534,373 7.831,374 2.381,375 3.584,376 2.563,377 5.427,378 3.192,379 2.252,380 2.961,382 6.886,383 2.102,384 3.471,385 2.275,386 5.192,387 3,388 2.047,389 2.893,391 6.168,392 1.939,393 3.365,394 2.177,395 4.899,396 2.894,397 1.987,398 2.699,400 5.573,401 1.841,402 3.076,403 2.089,404 4.656,405 2.861,406 1.904,407 2.339,409 4.627,410 1.705,411 2.936,412 1.824,413 4.121,414 2.675,415 1.705,416 2.121,418 3.861,419 1.65,420 2.908,421 1.703,422 3.985,423 2.571,424 1.587,425 1.931,427 3.518,428 1.56,429 2.746,430 1.579,431 3.884,432 2.437,433 1.455,434 1.782,436 3.374,437 1.422,438 2.653,439 1.457,440 3.753,441 2.416,442 1.429,443 1.705,445 3.137,446 1.407,447 2.604,448 1.434,449 3.69,450 2.311,451 1.347,452 1.631,454 3.09,455 1.292,456 2.49,457 1.409,458 3.583,459 2.249,460 1.256,461 1.49,463 2.872,464 1.245,465 2.384,466 1.274,467 3.581,468 2.131,469 1.149,470 1.379,472 2.619,473 1.125,474 19.148,475 0.491,476 0.654,477 0.017,478 47.75,479 1.224,480 23,481 0.59,482 24.75,483 0.635,484 39.665,485 1.017,486 41.452,487 0.545,488 33.278,489 0.853,490 8.663,491 0.222,492 10.613,493 0.272,494 0.037,496 0.287,501 0.878,502 1.19,503 0.748,504 0.982,505 0.754,506 0.939,507 1.044,508 1.208,509 0.844,510 1.037,511 0.804,512 1.017,513 1.144,514 1.018,515 0.866,516 0.894,517 0.951,518 0.874,519 1.155,520 0.961,521 0.897,522 0.932,523 0.959,524 0.949,525 1.191,526 1.006,527 0.921,528 0.989,529 1.03,530 1.039,531 0.849,532 1.047,533 0.942,534 1.083,535 0.891,536 1.121,537 0.803,538 1.041,539 1.04,540 1.075,541 0.944,542 1.074,543 1.06,544 0.935,545 1.207,546 1.012,547 1.144,548 0.995,549 4.5,550 0.123,551 3.333,552 2.729,553 1.942,554 0.782,555 0.582,556 0.305,557 0.215,558 0.153,559 34028,560 74246,561 2.203,562 48.7,563 8,564 18,567 3,568 2,569 4,570 2,572 1.782,573 2.147,574 3.982,575 0.671,582 107.628,583 1.416,584 3.481,585 4.715,586 5.685,587 5.906,588 5.932,589 3.281,590 4.926,591 5.268,592 4.27,593 3163.83,594 9.212,595 62079.1,600 474.842,601 1.018,602 5.251,603 0.102,604 0.004,605 0.056,606 0.043,607 0.033,608 0.015,609 0.013,610 0.008,611 0.007,612 0.005,613 0.288,614 0.17,615 0.5,616 0.271,617 227.493,618 -0.023,619 -0.018,620 0.041,621 0.026,622 0.032,623 0.047,624 -0.05,625 -0.111,626 -0.006,627 -0.05,628 0.071,629 -0.041,630 -0.035,631 0.003,632 0.071,633 0.073,634 0.059,635 0.095,636 0.056,637 0.083,638 0.004,639 0.013,640 0.08,641 0.002,642 -0.136,643 0.009,644 -0.075,645 -0.027,646 -0.117,647 -0.07,648 0.024,649 -0.077,650 -0.062,651 -0.101,652 -0.046,653 -0.131,654 -0.006,655 -0.122,656 -0.025,657 -0.078,658 -0.058,659 -0.068,660 -0.033,661 -0.012,662 -0.047,663 -0.02,664 -0.066,665 -0.003,666 0.917,667 2.703,668 0.692,669 45.724,670 0.988,671 1.121,672 4.375,673 19.143,674 0.675,675 3.807,676 4.111,677 4.431,678 4.762,679 5.037,680 5.13,681 5.257,682 5.375,683 5.352,684 5.273,685 10.831,686 0.626,687 541.19,688 3.807,689 5.342,690 6.205,691 7.089,692 7.976,693 8.874,694 9.772,695 10.678,696 11.582,697 12.492,698 5.3,700 1,703 1,706 1,708 1,714 6,715 10,716 1,717 1,720 5,722 26,734 1,739 1,740 1,741 76,743 26,744 3,745 44,747 81,748 33,749 21,750 8,751 10,756 6,757 12,758 1,767 4,770 8,772 21,773 12,793 37,794 4,795 3,796 6,797 1,802 4,808 0.333,809 1,822 1,824 1,828 1,829 5,832 2,833 2,853 1,859 2,865 1,868 39,876 12,877 2,878 1,892 1,893 1.3,898 1,901 18.167,902 13.343,903 8.639,904 5.157,907 5.452,908 1.605,909 1.033,910 8.532,911 14.463,912 4.06,913 4.698,914 5.384,915 6.086,916 6.718,917 7.118,918 7.556,919 7.985,920 8.162,921 8.271,922 1,923 63,924 14.471,926 6.149,927 0.026,929 7.409,931 28.892,933 24.593,936 1.909,937 74.444,941 400.217,942 157.543,943 69.593,944 39.149,945 11,948 157.543,949 450.366,950 69.593,952 31.186,953 112.773,954 34.796,955 55.092,956 4.288,957 400.217,958 39.149,959 400.217,960 227.135,961 11,962 39.149,964 329.591,965 81.626,968 70.883,969 121.456,970 73.945,972 400.217,973 80.592,974 196.691,977 400.217,978 62.78,979 94.762,980 52.807,981 66.934,982 400.217,983 80.592,984 196.691,986 0.566,987 0.334,988 0.198,989 0.115,990 29,991 11,992 0.148,993 12,994 4,995 1.296,996 5.251,997 372.169,998 0.296,999 27,1000 204.131,1005 26.431,1006 12.589,1007 6.035,1008 6.898,1009 63.807,1010 20.766,1011 4.929,1012 3.49,1015 5.654,1017 52.807,1018 677.501,1019 57,1031 75.079,1032 85.205,1034 0.227,1035 0.557,1036 0.755,1037 0.91,1038 0.945,1039 0.949,1040 5.286,1041 1.904,1042 6.159,1043 5.573,1044 4.796,1045 5.387,1046 1.138,1047 6.98,1048 4.723,1049 6.481,1050 1.705,1051 7.708,1052 4.627,1053 4.205,1054 5.247,1056 7.91,1057 4.081,1058 7.794,1059 1.587,1060 9.369,1061 3.861,1062 6.372,1063 7.708,1064 0.787,1065 11.097,1066 6.246,1067 9.154,1068 1.455,1069 11.103,1070 3.518,1071 6.711,1072 8.506,1074 12.956,1075 6.555,1076 10.557,1077 1.429,1078 12.885,1079 3.374,1080 8.275,1081 10.407,1082 0.602,1083 15.643,1084 8.112,1085 11.992,1086 1.347,1087 14.701,1088 3.137,1089 9.074,1090 11.631,1092 17.863,1093 8.89,1094 13.452,1095 1.256,1096 16.542,1097 3.09,1098 10.393,1099 13.318,1100 0.471,1101 20.391,1102 10.196,1103 3.275,1104 1.149,1105 18.401,1106 2.872,1107 11.407,1108 14.734,1110 22.75,1111 11.192,1112 3.235,1113 11.741,1114 20.274,1115 2.619,1116 12.631,1117 16.339,1118 0.367,1119 25.225,1120 12.401,1121 2.61,1122 11.364,1123 22.157,1124 4.858,1125 13.74,1126 17.839,1128 27.639,1129 13.49,1130 2.47,1131 8.477,1132 24.049,1133 4.582,1134 14.931,1135 19.414,1136 0.283,1137 30.097,1138 14.663,1139 2.252,1140 7.831,1141 25.947,1142 3.551,1143 16.08,1144 20.95,1146 32.532,1147 15.792,1148 2.047,1149 6.886,1150 27.851,1151 3.534,1152 17.261,1153 22.517,1154 0.217,1155 34.985,1156 16.954,1157 1.987,1158 6.168,1159 29.759,1160 2.961,1161 18.426,1162 24.068,1164 37.429,1165 18.099,1166 30542,1167 45324,1168 30.8,1169 51.279,1170 64.641,1171 65.67,1172 66.007,1173 64.95,1174 64.76,1175 84.982,1176 3.32,1177 182.519,1178 62.212,1179 5.728,1180 5.373,1181 6.872,1182 5.324,1183 5.275,1184 7.858,1185 1.72,1186 19.28,1187 5.207,1188 9.145,1189 1.469,1190 1.492,1191 1.5,1192 1.476,1193 1.472,1194 1.931,1195 0.075,1196 4.148,1197 1.414,1198 4.218,1199 4.245,1200 4.189,1201 4.144,1202 5.074,1203 4.151,1204 4.11,1205 4.138,1206 4.12,1207 4.042,1208 5.029,1209 4.045,1210 3.773,1211 3.842,1212 3.778,1213 3.662,1214 4.685,1215 3.648,1216 3.736,1217 3.78,1218 3.638,1219 3.634,1220 4.644,1221 3.629,1222 3.691,1223 3.73,1224 3.588,1225 3.594,1226 4.388,1227 3.583,1228 3.61,1229 3.677,1230 3.463,1231 3.454,1232 4.33,1233 3.443,1234 3.392,1235 3.468,1236 3.38,1237 3.205,1238 4.186,1239 3.202,1240 3.263,1241 3.318,1242 3.209,1243 3.121,1244 4.133,1245 3.114,1246 0.108,1247 0.077,1248 0.158,1249 0.097,1250 0.074,1251 4.759,1252 0.11,1253 3.373,1254 0.02,1255 6.937,1256 0.267,1257 4.255,1258 0.073,1259 3.275,1260 4.858,1261 0.86,1262 11.741,1263 3.207,1264 2.07,1265 2.047,1266 2.148,1267 2.158,1268 1.435,1269 2.158,1270 1.984,1271 1.971,1272 2.062,1273 2.045,1274 1.337,1275 2.05,1276 1.864,1277 1.83,1278 2.001,1279 1.997,1280 1.223,1281 1.994,1282 1.751,1283 1.71,1284 1.963,1285 1.94,1286 1.206,1287 1.959,1288 1.748,1289 1.68,1290 1.928,1291 1.863,1292 1.133,1293 1.893,1294 1.62,1295 1.549,1296 1.878,1297 1.816,1298 1.046,1299 1.843,1300 1.361,1301 1.289,1302 1.647,1303 1.61,1304 0.92,1305 1.625,1306 1.245,1307 1.195,1308 1.471,1309 1.429,1310 0.757,1311 1.445,1312 4.489,1314 5.796,1315 2.398,1316 7.313,1317 4.844,1318 8.94,1319 7.066,1320 10.632,1323 6.256,1328 12.884,1329 7.363,1330 6.203,1340 47.583,1341 107.628,1342 264.59,1343 358.339,1344 432.088,1345 448.842,1346 450.842,1347 55.915,1348 9.011,1349 61.97,1350 61.97,1351 35,1352 13.009,1353 4.755,1354 3.807,1355 55.993,1356 268,1357 188,1358 0.098,1359 290.262,1360 489.76,1361 700,1362 168390,1363 1.3,1364 26.443,1365 0.678,1366 0.596,1367 26.943,1368 23.248,1369 19.276,1370 0.438,1371 0.337,1372 14.377,1373 18.565,1374 14.086,1375 11.628,1376 19.565,1377 14.834,1378 16.682,1379 0.278,1380 0.183,1381 17.09,1382 11.006,1383 14.395,1384 0.173,1385 0.097,1386 14.657,1387 8.04,1388 12.756,1389 0.11,1390 0.052,1391 12.99,1392 6.018,1393 10.919,1394 0.071,1395 0.029,1396 11.151,1397 4.45,1398 0.166,1399 121.51,1400 0.18,1401 36.612,1402 0.24,1403 208,1404 472.583,1405 234.278,1406 497.487,1407 699.53,1408 472,1409 247,1410 512.205,1411 268.406,1412 530.691,1413 787.28,1414 506,1415 8.812}
{0 CHEMBL474268,1 1.404,2 18.725,3 8.355,4 69.809,5 166.304,6 7.028,7 0.578,8 4.447,9 4.575,10 3.975,11 4.035,12 5.392,13 3.983,14 5.025,15 5.207,16 4.329,17 4.458,18 5.909,19 4.371,20 5.329,21 5.576,22 4.402,23 4.587,24 6.134,25 4.47,26 5.32,27 5.566,28 4.356,29 4.555,30 6.144,31 4.433,32 5.301,33 5.547,34 4.236,35 4.547,36 6.063,37 4.401,38 5.342,39 5.601,40 4.172,41 4.544,42 6.058,43 4.363,44 5.343,45 5.632,46 4.031,47 4.464,48 6.006,49 4.249,50 5.225,51 5.52,52 3.9,53 4.323,54 5.892,55 4.11,56 0.081,57 1.113,58 17.738,59 7.602,60 10.088,61 10.554,62 0.203,63 1.874,64 33.737,65 13.42,66 24.306,67 18.803,68 0.377,69 2.377,70 50.048,71 17.854,72 40.004,73 25.418,74 0.545,75 2.369,76 49.285,77 17.211,78 47.657,79 24.626,80 0.38,81 2.292,82 46.954,83 17.616,84 37.449,85 24.965,86 0.385,87 2.319,88 50.167,89 19.064,90 38.04,91 27.087,92 0.43,93 2.233,94 53.909,95 19.405,96 39.558,97 27.649,98 0.398,99 1.97,100 50.643,101 17.068,102 37.836,103 24.33,104 2,105 61,106 0.213,107 0.521,108 0.708,109 0.862,110 0.901,111 0.905,112 3.717,113 1.022,114 -5.79,115 -5.65,116 -5.26,121 43,123 9,127 4,144 10,145 4,146 3,148 2,154 2,176 16,180 7,185 9,187 20,192 6,197 6,200 14,206 6,209 2,210 1,211 7,214 17,219 3,224 2,227 19,232 2,237 5,239 20,247 1,249 4,251 13,259 1,261 6,264 11,269 1,274 5,277 9,281 3294,282 28.087,283 28.087,284 28.087,285 28.087,286 28.087,287 25.092,288 25.1,289 17.298,290 28.59,291 22.345,292 22.345,293 22.345,294 22.345,295 22.345,296 17.705,297 28.863,298 8.337,299 23.212,300 4.9,301 2.868,302 1.63,303 0.617,304 0.354,305 0.329,306 4.44,308 1,313 1691,314 4.183,317 81.558,318 530.795,321 317.882,322 355.365,325 2.608,326 21.974,329 0.5,330 0.33,331 0.67,332 0.7,333 0.5,334 0.67,335 0.5,336 0.55,337 83.333,338 749,339 4.759,340 3.373,341 6.937,342 4.255,343 3.275,344 4.858,345 0.86,346 11.741,347 3.207,348 4.651,349 3.338,350 6.833,351 4.214,352 3.235,353 4.582,354 0.4,355 11.364,356 3.165,357 3.99,358 2.943,359 6.004,360 3.58,361 2.61,362 3.551,363 0.4,364 8.477,365 2.532,366 3.909,367 2.699,368 5.796,369 3.433,370 2.47,371 3.534,373 7.831,374 2.381,375 3.584,376 2.563,377 5.427,378 3.192,379 2.252,380 2.961,382 6.886,383 2.102,384 3.471,385 2.275,386 5.192,387 3,388 2.048,389 2.893,391 6.168,392 1.942,393 3.365,394 2.175,395 4.899,396 2.902,397 1.987,398 2.699,400 5.573,401 1.865,402 3.076,403 2.094,404 4.656,405 2.872,406 1.918,407 2.339,409 4.627,410 1.708,411 2.943,412 1.845,413 4.121,414 2.711,415 1.741,416 2.121,418 3.881,419 1.682,420 2.914,421 1.719,422 3.987,423 2.581,424 1.601,425 1.94,427 3.573,428 1.567,429 2.773,430 1.606,431 3.899,432 2.454,433 1.478,434 1.801,436 3.386,437 1.436,438 2.664,439 1.479,440 3.755,441 2.422,442 1.434,443 1.714,445 3.184,446 1.412,447 2.618,448 1.434,449 3.723,450 2.377,451 1.394,452 1.656,454 3.093,455 1.366,456 2.493,457 1.42,458 3.595,459 2.249,460 1.257,461 1.492,463 2.957,464 1.246,465 2.451,466 1.335,467 3.581,468 2.15,469 1.182,470 1.448,472 2.641,473 1.142,474 19.648,475 0.491,476 0.654,477 0.016,478 48.25,479 1.206,480 23,481 0.575,482 25.25,483 0.631,484 41.624,485 1.041,486 42.752,487 0.541,488 33.454,489 0.836,490 8.663,491 0.217,492 11.113,493 0.278,494 0.036,496 0.28,501 0.879,502 1.198,503 0.761,504 0.996,505 0.753,506 0.954,507 1.04,508 1.217,509 0.855,510 1.05,511 0.8,512 1.031,513 1.133,514 1.015,515 0.863,516 0.895,517 0.939,518 0.875,519 1.143,520 0.961,521 0.894,522 0.931,523 0.946,524 0.947,525 1.178,526 1.004,527 0.917,528 0.986,529 1.016,530 1.033,531 0.891,532 1.068,533 0.938,534 1.086,535 0.907,536 1.114,537 0.856,538 0.991,539 1.042,540 1.034,541 0.973,542 1.048,543 0.971,544 0.935,545 1.197,546 1.024,547 1.095,548 1.007,549 4.5,550 0.123,551 3.333,552 2.729,553 1.942,554 0.782,555 0.582,556 0.305,557 0.215,558 0.153,559 37271,560 80311,561 2.198,562 49.4,563 10,564 18,567 3,568 2,569 4,570 2,572 1.788,573 2.143,574 4.041,575 0.657,582 110.894,583 1.404,584 3.436,585 4.674,586 5.687,587 5.949,588 5.975,589 3.317,590 4.922,591 5.305,592 4.338,593 3383.6,594 9.28,595 68739.5,600 497.999,601 1.005,602 5.288,603 0.1,604 0.004,605 0.055,606 0.043,607 0.033,608 0.015,609 0.013,610 0.008,611 0.007,612 0.005,613 0.282,614 0.17,615 0.5,616 0.266,617 236.096,618 -0.019,619 -0.019,620 0.042,621 0.025,622 0.04,623 0.046,624 -0.045,625 -0.115,626 -0.008,627 -0.055,628 0.078,629 -0.046,630 -0.027,631 0.004,632 0.076,633 0.073,634 0.069,635 0.096,636 0.063,637 0.081,638 0.011,639 0.017,640 0.091,641 0.008,642 -0.127,643 0.01,644 -0.066,645 -0.022,646 -0.104,647 -0.061,648 -0.02,649 -0.098,650 -0.056,651 -0.105,652 -0.063,653 -0.124,654 0.017,655 -0.067,656 -0.026,657 -0.045,658 -0.052,659 -0.052,660 -0.019,661 -0.012,662 -0.05,663 -0.031,664 -0.06,665 -0.013,666 0.915,667 2.708,668 0.675,669 49.133,670 0.987,671 1.122,672 4.556,673 20.76,674 0.671,675 3.829,676 4.127,677 4.443,678 4.771,679 5.043,680 5.136,681 5.263,682 5.38,683 5.357,684 5.278,685 11.337,686 0.622,687 555.22,688 3.829,689 5.361,690 6.221,691 7.102,692 7.987,693 8.883,694 9.78,695 10.684,696 11.587,697 12.496,698 5.1,700 1,703 1,706 1,708 1,714 6,715 10,716 1,717 1,720 5,722 26,734 1,739 1,740 1,741 79,743 26,744 3,745 45,747 84,748 34,749 21,750 8,751 10,756 6,757 12,758 1,767 4,770 9,772 21,773 13,793 39,794 4,795 3,796 6,797 1,802 4,808 0.333,809 1,822 1,824 1,828 1,829 5,832 2,833 2,853 1,859 2,865 1,868 40,876 13,877 2,878 1,892 1,893 1.3,898 1,901 18.667,902 13.843,903 8.889,904 5.407,907 5.435,908 1.602,909 1.028,910 9.068,911 14.465,912 4.078,913 4.707,914 5.389,915 6.088,916 6.72,917 7.119,918 7.557,919 7.985,920 8.163,921 8.271,922 0.917,923 64,924 14.849,926 6.291,927 0.026,929 7.399,931 29.709,933 25.259,936 1.899,937 75.944,941 423.76,942 160.077,943 69.593,944 39.149,945 11,948 160.077,949 473.908,950 69.593,952 33.72,953 112.773,954 34.796,955 55.092,956 4.288,957 423.76,958 39.149,959 423.76,960 229.67,961 11,962 39.149,964 353.133,965 81.626,968 73.417,969 121.456,970 73.945,972 423.76,973 80.592,974 199.226,977 423.76,978 65.315,979 94.762,980 52.807,981 66.934,982 423.76,983 80.592,984 199.226,986 0.565,987 0.332,988 0.196,989 0.114,990 29,991 11,992 0.155,993 13,994 4,995 1.296,996 5.366,997 380.894,998 0.296,999 27,1000 206.877,1005 27.381,1006 13.247,1007 6.43,1008 6.922,1009 63.807,1010 20.798,1011 4.932,1012 3.493,1015 5.675,1017 52.807,1018 703.578,1019 58,1031 77.963,1032 88.62,1034 0.223,1035 0.545,1036 0.741,1037 0.902,1038 0.944,1039 0.948,1040 5.301,1041 1.918,1042 6.172,1043 5.573,1044 4.812,1045 5.396,1046 1.138,1047 6.987,1048 4.741,1049 6.492,1050 1.741,1051 7.717,1052 4.627,1053 4.205,1054 5.247,1056 7.91,1057 4.081,1058 7.802,1059 1.601,1060 9.375,1061 3.881,1062 6.382,1063 7.711,1064 0.787,1065 11.098,1066 6.258,1067 9.159,1068 1.478,1069 11.107,1070 3.573,1071 6.711,1072 8.506,1074 12.956,1075 6.555,1076 10.561,1077 1.434,1078 12.887,1079 3.386,1080 8.28,1081 10.407,1082 0.602,1083 15.643,1084 8.118,1085 11.995,1086 1.394,1087 14.703,1088 3.184,1089 9.074,1090 11.631,1092 17.863,1093 8.89,1094 13.453,1095 1.257,1096 16.543,1097 3.093,1098 10.395,1099 13.318,1100 0.471,1101 20.391,1102 10.199,1103 3.275,1104 1.182,1105 18.402,1106 2.957,1107 11.407,1108 14.734,1110 22.75,1111 11.192,1112 3.235,1113 11.741,1114 20.274,1115 2.641,1116 12.632,1117 16.339,1118 0.367,1119 25.225,1120 12.402,1121 2.61,1122 11.364,1123 22.157,1124 4.858,1125 13.74,1126 17.839,1128 27.639,1129 13.49,1130 2.47,1131 8.477,1132 24.049,1133 4.582,1134 14.931,1135 19.414,1136 0.283,1137 30.097,1138 14.664,1139 2.252,1140 7.831,1141 25.947,1142 3.551,1143 16.08,1144 20.95,1146 32.532,1147 15.792,1148 2.048,1149 6.886,1150 27.851,1151 3.534,1152 17.261,1153 22.517,1154 0.217,1155 34.985,1156 16.954,1157 1.987,1158 6.168,1159 29.759,1160 2.961,1161 18.426,1162 24.068,1164 37.429,1165 18.099,1166 33491,1167 49386,1168 31.493,1169 53.04,1170 65.934,1171 66.957,1172 67.277,1173 66.237,1174 66.036,1175 86.257,1176 3.32,1177 185.068,1178 63.488,1179 5.731,1180 5.373,1181 6.882,1182 5.322,1183 5.275,1184 7.858,1185 1.72,1186 19.28,1187 5.207,1188 9.333,1189 1.465,1190 1.488,1191 1.495,1192 1.472,1193 1.467,1194 1.917,1195 0.074,1196 4.113,1197 1.411,1198 4.219,1199 4.245,1200 4.189,1201 4.144,1202 5.074,1203 4.151,1204 4.11,1205 4.139,1206 4.12,1207 4.042,1208 5.029,1209 4.045,1210 3.785,1211 3.854,1212 3.778,1213 3.663,1214 4.685,1215 3.649,1216 3.736,1217 3.78,1218 3.643,1219 3.644,1220 4.644,1221 3.635,1222 3.695,1223 3.738,1224 3.598,1225 3.61,1226 4.386,1227 3.599,1228 3.632,1229 3.695,1230 3.481,1231 3.473,1232 4.338,1233 3.463,1234 3.45,1235 3.525,1236 3.392,1237 3.267,1238 4.19,1239 3.26,1240 3.287,1241 3.347,1242 3.261,1243 3.164,1244 4.136,1245 3.15,1246 0.106,1247 0.075,1248 0.154,1249 0.095,1250 0.073,1251 4.759,1252 0.108,1253 3.373,1254 0.019,1255 6.937,1256 0.261,1257 4.255,1258 0.071,1259 3.275,1260 4.858,1261 0.86,1262 11.741,1263 3.207,1264 2.07,1265 2.047,1266 2.148,1267 2.158,1268 1.435,1269 2.158,1270 1.984,1271 1.971,1272 2.063,1273 2.045,1274 1.367,1275 2.051,1276 1.864,1277 1.83,1278 2.018,1279 1.998,1280 1.226,1281 1.995,1282 1.768,1283 1.71,1284 1.965,1285 1.95,1286 1.213,1287 1.971,1288 1.75,1289 1.703,1290 1.93,1291 1.864,1292 1.136,1293 1.893,1294 1.639,1295 1.567,1296 1.892,1297 1.838,1298 1.053,1299 1.863,1300 1.441,1301 1.369,1302 1.728,1303 1.666,1304 1.022,1305 1.689,1306 1.265,1307 1.216,1308 1.488,1309 1.468,1310 0.758,1311 1.481,1312 4.511,1314 5.814,1315 2.398,1316 7.326,1317 4.844,1318 8.949,1319 7.066,1320 10.639,1323 6.259,1328 14.279,1329 7.379,1330 6.208,1340 49.11,1341 110.894,1342 271.433,1343 369.212,1344 449.244,1345 469.999,1346 471.999,1347 58.592,1348 9.03,1349 61.97,1350 61.97,1351 35,1352 13.014,1353 4.755,1354 3.807,1355 58.189,1356 288,1357 200,1358 0.095,1359 299.855,1360 507.06,1361 723.405,1362 176711,1363 1.3,1364 27.15,1365 0.679,1366 0.599,1367 27.65,1368 23.955,1369 19.776,1370 0.439,1371 0.341,1372 14.877,1373 19.065,1374 14.576,1375 12.044,1376 20.065,1377 15.334,1378 17.035,1379 0.279,1380 0.186,1381 17.444,1382 11.359,1383 14.645,1384 0.174,1385 0.099,1386 14.907,1387 8.29,1388 12.932,1389 0.111,1390 0.053,1391 13.167,1392 6.195,1393 11.044,1394 0.072,1395 0.03,1396 11.276,1397 4.575,1398 0.161,1399 124.51,1400 0.178,1401 37.523,1402 0.23,1403 212,1404 476.583,1405 238.278,1406 501.648,1407 705.29,1408 476,1409 251,1410 516.205,1411 272.406,1412 534.853,1413 793.04,1414 510,1415 8.59}
{0 CHEMBL474836,1 1.353,2 14.7,3 5.326,4 28.369,5 123.034,6 7.045,7 0.563,8 4.103,9 4.212,10 3.623,11 3.674,12 5.209,13 3.637,14 4.608,15 4.781,16 3.901,17 4.016,18 5.628,19 3.961,20 4.785,21 4.955,22 3.999,23 4.164,24 5.852,25 4.079,26 4.944,27 5.173,28 3.91,29 4.153,30 5.945,31 4.04,32 4.89,33 5.111,34 3.813,35 4.114,36 5.883,37 3.988,38 4.862,39 5.119,40 3.726,41 4.065,42 5.78,43 3.913,44 4.772,45 5.025,46 3.621,47 3.941,48 5.71,49 3.803,50 4.6,51 4.827,52 3.506,53 3.829,54 5.553,55 3.7,56 0.028,57 0.717,58 11.972,59 5.573,60 9.541,61 7.208,62 0.221,63 1.156,64 21.853,65 8.589,66 21.971,67 11.227,68 0.23,69 1.358,70 25.656,71 11.026,72 31.605,73 14.603,74 0.275,75 1.542,76 32.104,77 12.531,78 49.982,79 16.91,80 0.399,81 1.457,82 30.392,83 11.901,84 53.085,85 15.995,86 0.27,87 1.441,88 29.522,89 12.03,90 42.945,91 16.942,92 0.242,93 1.277,94 27.444,95 10.777,96 45.282,97 14.75,98 0.219,99 1.071,100 22.71,101 9.145,102 37.425,103 12.214,104 21,105 42,106 0.221,107 0.502,108 0.672,109 0.795,110 0.831,111 0.836,112 3.439,113 0.925,114 -5.52,115 -5.39,116 -5.04,121 45.6,126 3,127 2,137 2,144 12,145 4,146 2,159 1,176 17,180 6,187 18,191 1,192 11,200 15,206 8,214 11,218 1,219 5,227 11,231 1,232 6,239 10,244 6,251 11,256 3,264 12,268 1,269 3,277 11,281 1516,282 20.516,283 20.516,284 20.516,285 20.516,286 20.516,287 18.106,288 18.086,289 12.302,290 20.943,291 15.654,292 15.654,293 15.654,294 15.654,295 15.654,296 11.958,297 20.693,298 5.673,299 16.123,300 4.48,301 2.758,302 1.713,303 0.958,304 0.741,305 0.706,306 4.123,311 1,312 1,313 928,314 3.873,318 357.82,325 2.407,326 20.563,329 0.75,330 1,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.84,337 63.5,338 441,339 4.398,340 3.589,341 6.429,342 4.04,343 3.037,344 4.037,345 0.995,346 9.851,347 3.057,348 4.133,349 3.16,350 6.099,351 3.728,352 2.764,353 3.731,354 0.86,355 8.826,356 2.653,357 3.929,358 2.966,359 5.486,360 3.599,361 2.627,362 3.455,363 0.86,364 7.394,365 2.56,366 3.847,367 2.564,368 5.395,369 3.458,370 2.461,371 3.265,372 0.359,373 7.05,374 2.444,375 3.393,376 2.395,377 5.1,378 3.095,379 2.145,380 2.672,382 5.965,383 2.029,384 3.263,385 2.198,386 4.812,387 2.928,388 1.943,389 2.373,391 5.495,392 1.907,393 2.919,394 1.986,395 4.374,396 2.521,397 1.609,398 2.057,400 4.13,401 1.461,402 2.873,403 1.847,404 3.746,405 2.434,406 1.437,407 1.992,409 3.062,410 1.431,411 2.665,412 1.571,413 3.597,414 2.137,415 1.137,416 1.597,418 2.584,419 1.131,420 2.5,421 1.325,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1.051,431 3.324,432 2,433 1,434 1.5,436 2.136,437 1,438 2.444,439 1,440 3.247,441 1.911,442 0.901,443 1.266,445 2.094,446 0.9,447 1.865,448 1,449 3.013,450 1.527,451 0.607,452 0.74,454 1.112,455 0.552,456 1.451,457 0.934,458 2.741,459 1.182,460 0.327,461 0.358,463 0.437,464 0.277,465 1.271,466 0.286,467 2.56,468 1.016,469 0.03,470 0.035,472 0.072,473 0.029,474 14.4,475 0.48,476 0.571,477 0.019,478 40,479 1.333,480 22,481 0.733,482 18,483 0.6,484 22.105,485 0.737,486 31.8,487 0.558,488 31.483,489 1.049,490 8.588,491 0.286,492 6.013,493 0.2,494 0.127,496 0.271,501 0.768,502 1.227,503 0.833,504 1.112,505 0.636,506 1,507 1.331,508 0.839,509 0.972,510 0.808,511 0.815,512 0.827,513 0.805,514 1.221,515 1.016,516 1.199,517 0.798,518 1.144,519 1.109,520 1.035,521 0.998,522 1.014,523 1.343,524 0.994,525 1.111,526 1.036,527 1.118,528 1.029,529 1.222,530 1.068,531 0.455,532 1.025,533 0.891,534 1.035,535 0.537,536 1.017,537 0.976,538 0.912,539 0.941,540 0.931,541 1.223,542 0.931,543 1.155,544 0.973,545 1.07,546 0.997,547 1.395,548 1.024,549 5.5,550 0.132,551 3.111,552 1.75,553 1.387,554 0.917,555 0.566,556 0.323,557 0.217,558 0.147,559 13626,560 33635,561 2.032,562 47.4,564 27,572 1.72,573 1.915,574 3.821,575 -0.858,582 77.126,583 1.353,584 3.075,585 4.12,586 4.874,587 5.091,588 5.126,589 3.273,590 3.965,591 4.877,592 4.013,593 1745.46,594 8.463,595 26471.3,600 332.475,601 1.338,602 4.843,603 0.172,604 0.006,605 0.074,606 0.04,607 0.036,608 0.026,609 0.018,610 0.011,611 0.008,612 0.006,613 0.397,614 0.33,615 0.88,616 0.812,617 159.576,618 0.017,619 -0.135,620 0.055,621 -0.072,622 -0.033,623 -0.016,624 -0.168,625 0.241,626 -0.001,627 0.173,628 -0.06,629 0.123,630 0.107,631 -0.196,632 -0.079,633 -0.188,634 0.111,635 -0.161,636 -0.056,637 -0.048,638 -0.007,639 -0.038,640 -0.031,641 -0.019,642 -0.021,643 -0.049,644 -0.13,645 -0.05,646 -0.065,647 -0.096,648 0.169,649 -0.048,650 0.065,651 -0.048,652 0.176,653 -0.009,654 -0.036,655 0.046,656 0.051,657 0.048,658 -0.021,659 0.059,660 -0.113,661 -0.014,662 -0.085,663 -0.006,664 -0.168,665 -0.038,666 1.714,667 5.781,668 0.6,669 37.102,670 0.992,671 1.114,672 4.288,673 18.391,674 0.671,675 3.497,676 3.761,677 3.989,678 4.159,679 4.331,680 4.317,681 4.369,682 4.344,683 4.357,684 4.443,685 8.533,686 0.632,687 401.54,688 3.497,689 5.004,690 5.826,691 6.668,692 7.504,693 8.351,694 9.192,695 10.042,696 10.887,697 11.739,698 1.8,701 1,715 12,720 6,722 18,727 1,739 2,741 57,743 20,744 3,745 32,747 59,748 26,749 18,750 6,751 12,752 3,756 3,757 3,772 21,773 5,777 2,782 1,784 2,786 1,793 27,794 4,796 4,802 1,808 1,809 3,829 3,849 2,855 1,859 3,864 3,868 30,876 2,878 2,881 1,893 5.3,896 1,898 2,901 15.667,902 11.117,903 6.917,904 3.143,907 3.602,908 1.496,909 0.958,910 7.695,911 10.865,912 3.784,913 4.324,914 4.877,915 5.372,916 5.877,917 6.002,918 6.308,919 6.466,920 6.746,921 7.119,922 0.9,923 44,924 11.059,926 4.473,927 0.026,929 7.656,931 21.23,933 16.566,936 2.156,937 64.667,941 317.82,942 195.404,943 3.124,945 47.145,948 195.404,949 364.964,950 3.124,951 30.162,952 4.211,953 132.667,954 30.278,955 48.353,957 317.82,959 317.82,960 198.528,961 47.145,964 317.82,965 47.145,968 7.336,969 172.24,970 18.952,972 317.82,973 50.269,974 195.404,977 317.82,978 32.574,979 165.954,981 47.145,982 317.82,983 50.269,984 195.404,986 0.564,987 0.334,988 0.174,989 0.09,990 17,991 8,992 0.153,993 9,995 1,996 4.292,997 242.106,999 18,1000 136.452,1005 21.665,1006 10.656,1007 5.981,1009 50.269,1010 23.244,1015 4.715,1018 563.493,1019 43,1024 12.781,1026 4.209,1028 -0.047,1031 56.571,1032 63.524,1034 0.232,1035 0.527,1036 0.706,1037 0.836,1038 0.873,1039 0.879,1040 4.98,1041 1.437,1042 5.778,1043 4.13,1044 4.443,1045 5.011,1046 1.793,1047 6.521,1048 4.397,1049 6.161,1050 1.137,1051 7.298,1052 3.062,1053 3.892,1054 4.605,1055 0.325,1056 7.306,1057 3.832,1058 7.437,1059 1,1060 8.917,1061 2.584,1062 5.974,1063 7.133,1064 1.535,1065 10.353,1066 5.9,1067 8.75,1068 1,1069 10.595,1070 2.275,1071 6.256,1072 7.551,1073 0.504,1074 11.961,1075 6.174,1076 10.093,1077 0.901,1078 12.311,1079 2.136,1080 7.766,1081 9.518,1082 1.342,1083 14.512,1084 7.679,1085 11.459,1086 0.607,1087 14.053,1088 2.094,1089 8.441,1090 10.338,1091 0.585,1092 16.467,1093 8.353,1094 12.841,1095 0.327,1096 15.814,1097 1.112,1098 9.706,1099 12.038,1100 1.189,1101 18.842,1102 9.617,1103 3.037,1104 0.03,1105 17.59,1106 0.437,1107 10.58,1108 13.082,1109 0.622,1110 20.958,1111 10.494,1112 2.764,1113 9.851,1114 19.377,1115 0.072,1116 11.736,1117 14.639,1118 1.066,1119 23.266,1120 11.653,1121 2.627,1122 8.826,1123 21.173,1124 4.037,1125 12.711,1126 15.813,1127 0.639,1128 25.46,1129 12.636,1130 2.461,1131 7.394,1132 22.977,1133 3.731,1134 13.82,1135 17.29,1136 0.969,1137 27.743,1138 13.752,1139 2.145,1140 7.05,1141 24.787,1142 3.455,1143 14.849,1144 18.543,1145 0.646,1146 29.975,1147 14.79,1148 1.943,1149 5.965,1150 26.603,1151 3.265,1152 15.94,1153 19.975,1154 0.891,1155 32.251,1156 15.891,1157 1.609,1158 5.495,1159 28.423,1160 2.672,1161 16.997,1162 21.277,1163 0.648,1164 34.503,1165 16.96,1166 13235,1167 20957,1168 21.266,1169 38.267,1170 46.742,1171 47.872,1172 48.056,1173 45.995,1174 46.048,1175 61.16,1176 6.147,1177 124.969,1178 44.862,1179 5.23,1180 5.589,1181 6.231,1182 5.043,1183 5.037,1184 7.037,1185 1.855,1186 16.681,1187 5.057,1188 14.835,1189 1.461,1190 1.496,1191 1.502,1192 1.437,1193 1.439,1194 1.911,1195 0.192,1196 3.905,1197 1.402,1198 4.018,1199 4.037,1200 3.971,1201 3.952,1202 7.427,1203 3.953,1204 3.917,1205 3.95,1206 3.844,1207 3.85,1208 4.925,1209 3.844,1210 3.857,1211 3.877,1212 3.8,1213 3.788,1214 4.767,1215 3.788,1216 3.618,1217 3.682,1218 3.507,1219 3.468,1220 4.727,1221 3.469,1222 3.368,1223 3.406,1224 3.281,1225 3.186,1226 4.496,1227 3.198,1228 3.247,1229 3.314,1230 3.078,1231 3.031,1232 4.334,1233 3.039,1234 3.234,1235 3.301,1236 3.051,1237 2.951,1238 4.258,1239 2.96,1240 3.025,1241 3.07,1242 2.867,1243 2.845,1244 4.018,1245 2.836,1246 0.137,1247 0.112,1248 0.201,1249 0.126,1250 0.095,1251 4.398,1252 0.126,1253 3.589,1254 0.031,1255 6.429,1256 0.308,1257 4.04,1258 0.096,1259 3.037,1260 4.037,1261 0.995,1262 9.851,1263 3.057,1264 1.973,1265 1.957,1266 2.068,1267 2.054,1268 1.205,1269 2.058,1270 1.915,1271 1.884,1272 2.041,1273 2.012,1274 1.155,1275 2.023,1276 1.844,1277 1.826,1278 1.947,1279 1.94,1280 1.053,1281 1.944,1282 1.595,1283 1.537,1284 1.806,1285 1.786,1286 0.943,1287 1.798,1288 1.321,1289 1.271,1290 1.582,1291 1.544,1292 0.669,1293 1.553,1294 1.208,1295 1.145,1296 1.576,1297 1.523,1298 0.576,1299 1.539,1300 1.191,1301 1.115,1302 1.549,1303 1.454,1304 0.574,1305 1.489,1306 1.01,1307 0.951,1308 1.36,1309 1.222,1310 0.5,1311 1.275,1312 4.174,1314 5.451,1316 6.927,1318 8.487,1320 10.089,1322 5.234,1328 1.755,1330 10.525,1333 2.251,1340 36.014,1341 77.126,1342 175.292,1343 234.826,1344 277.846,1345 290.21,1346 292.21,1347 54.149,1348 7.263,1349 38.77,1350 38.77,1351 18,1352 12.297,1353 4.392,1354 3.585,1355 55.871,1356 158,1357 142,1358 0.172,1359 224.573,1360 396.91,1361 539.718,1362 15351,1364 21.347,1365 0.712,1366 0.589,1367 21.347,1368 17.669,1369 14.601,1370 0.456,1371 0.308,1372 9.729,1373 14.121,1374 9.349,1375 7.892,1376 14.601,1377 9.862,1378 12.326,1379 0.293,1380 0.169,1381 12.326,1382 7.106,1383 10.377,1384 0.196,1385 0.091,1386 10.377,1387 4.841,1388 8.13,1389 0.129,1390 0.051,1391 8.13,1392 3.218,1393 6.222,1394 0.083,1395 0.028,1396 6.222,1397 2.08,1398 0.284,1399 91.11,1400 0.217,1401 29.357,1402 0.438,1403 148,1404 420.852,1405 157.609,1406 406.278,1407 550.5,1408 382,1409 169,1410 389.488,1411 179.747,1412 405.064,1413 580.41,1414 375,1415 5.678}
{0 CHEMBL474837,1 1.448,2 12.963,3 5.08,4 25.81,5 106.468,6 7.418,7 0.621,8 3.963,9 4.071,10 3.524,11 3.553,12 5.109,13 3.522,14 4.471,15 4.637,16 3.834,17 3.906,18 5.564,19 3.862,20 4.682,21 4.85,22 3.932,23 4.043,24 5.868,25 3.969,26 4.833,27 5.074,28 3.818,29 4,30 5.911,31 3.901,32 4.714,33 4.933,34 3.708,35 3.954,36 5.906,37 3.842,38 4.691,39 4.949,40 3.594,41 3.905,42 5.647,43 3.758,44 4.55,45 4.798,46 3.521,47 3.74,48 5.603,49 3.625,50 4.342,51 4.544,52 3.401,53 3.584,54 5.457,55 3.497,56 0.001,57 0.687,58 9.523,59 4.769,60 6.502,61 5.939,62 0.15,63 1.113,64 17.966,65 7.464,66 17.722,67 9.416,68 0.219,69 1.371,70 22.37,71 9.859,72 38.882,73 12.471,74 0.283,75 1.511,76 29.265,77 11.065,78 56.263,79 14.533,80 0.403,81 1.414,82 25.342,83 10.017,84 84.345,85 12.803,86 0.225,87 1.268,88 25.027,89 10.451,90 40.618,91 14.483,92 0.232,93 1.147,94 22.086,95 8.826,96 43.676,97 11.643,98 0.186,99 0.922,100 17.224,101 6.87,102 39.188,103 8.534,104 18,105 39,106 0.244,107 0.516,108 0.658,109 0.785,110 0.825,111 0.831,112 3.339,113 0.906,114 -5.88,115 -5.74,116 -5.34,121 46.9,126 2,127 2,144 12,145 4,146 2,159 1,176 15,180 5,187 15,192 10,200 11,206 8,214 8,219 3,227 11,231 1,232 1,239 12,243 1,244 3,251 11,256 4,264 8,269 3,277 5,281 1107,282 18.231,283 18.231,284 18.231,285 18.231,286 18.231,287 15.951,288 16.764,289 10.84,290 18.53,291 14.233,292 14.233,293 14.233,294 14.233,295 14.233,296 10.815,297 20.396,298 5.076,299 14.624,300 4.166,301 2.556,302 1.715,303 0.96,304 0.725,305 0.684,306 4.021,311 1,312 1,313 741,314 3.464,318 309.395,325 2.118,326 26.662,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 58,338 350,339 4.39,340 3.591,341 6.419,342 4.033,343 3.027,344 4.026,345 0.995,346 9.789,347 3.052,348 4.114,349 3.208,350 6.003,351 3.712,352 2.752,353 3.707,354 0.86,355 8.461,356 2.641,357 3.938,358 3.036,359 5.579,360 3.618,361 2.652,362 3.456,363 0.359,364 7.657,365 2.556,366 3.806,367 2.676,368 5.363,369 3.433,370 2.439,371 3.213,373 6.997,374 2.412,375 3.364,376 2.239,377 5.132,378 3.026,379 2.062,380 2.627,382 6.058,383 1.982,384 3.109,385 2.168,386 4.63,387 2.789,388 1.819,389 2.246,391 4.959,392 1.756,393 2.848,394 1.945,395 4.184,396 2.402,397 1.477,398 1.978,400 3.729,401 1.375,402 2.786,403 1.817,404 3.715,405 2.38,406 1.389,407 1.868,409 2.998,410 1.35,411 2.509,412 1.486,413 3.564,414 2,415 1,416 1.5,418 2.335,419 1,420 2.5,421 1.048,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1,431 3.247,432 1.985,433 0.958,434 1.375,436 2.136,437 0.971,438 1.762,439 1,440 2.932,441 1.435,442 0.532,443 0.631,445 0.929,446 0.474,447 1.293,448 0.404,449 2.829,450 1.022,451 0.038,452 0.045,454 0.099,455 0.037,456 1.002,457 0.361,458 2.454,459 0.708,460 -0.266,461 -0.311,463 -0.513,464 -0.241,465 0.96,466 0.069,467 2.238,468 0.584,469 -0.307,470 -0.366,472 -0.656,473 -0.281,474 12.852,475 0.476,476 0.609,477 0.023,478 36.25,479 1.343,480 20,481 0.741,482 16.25,483 0.602,484 19.202,485 0.711,486 28.548,487 0.583,488 27.875,489 1.032,490 7.719,491 0.286,492 5.344,493 0.198,494 0.126,496 0.303,499 1,501 0.614,502 1.056,503 0.761,504 1.054,505 0.537,506 0.959,507 0.958,508 0.853,509 0.892,510 0.84,511 0.638,512 0.839,513 0.773,514 1.209,515 1.013,516 1.249,517 0.805,518 1.192,519 1.019,520 0.968,521 0.941,522 0.931,523 1.068,524 0.922,525 1.03,526 1.033,527 1.153,528 1.046,529 1.198,530 1.1,531 0.359,532 0.876,533 0.81,534 1,535 0.419,536 0.993,537 0.845,538 0.949,539 0.88,540 0.94,541 0.987,542 0.925,543 1.272,544 1.029,545 1.122,546 1.053,547 1.327,548 1.062,549 5.5,550 0.149,551 2.889,552 1.875,553 1.347,554 0.771,555 0.606,556 0.252,557 0.201,558 0.174,559 9727,560 26343,561 2.035,562 44.9,564 22,572 1.694,573 1.906,574 3.649,575 -0.843,582 70.971,583 1.448,584 3.058,585 3.9,586 4.655,587 4.89,588 4.931,589 3.115,590 4.385,591 4.724,592 3.814,593 1338.78,594 8.166,595 18080.4,597 1,600 275.121,601 1.399,602 4.685,603 0.19,604 0.009,605 0.074,606 0.047,607 0.038,608 0.025,609 0.022,610 0.01,611 0.009,612 0.009,613 0.432,614 0.5,615 0.88,616 0.76,617 137.121,619 -0.087,620 0.044,621 -0.044,622 -0.034,623 -0.003,624 -0.105,625 0.119,626 0.007,627 0.126,628 -0.015,629 0.101,630 0.113,631 -0.208,632 -0.104,633 -0.255,634 0.084,635 -0.228,636 -0.055,637 -0.042,638 0.057,639 0.028,640 -0.009,641 0.055,642 0.002,643 0.042,644 -0.173,645 -0.066,646 0.015,647 -0.13,648 0.172,649 -0.057,650 0.134,651 -0.01,652 0.121,653 0.041,654 0.049,655 0.011,656 0.112,657 0.049,658 0.014,659 0.082,660 -0.139,661 -0.058,662 -0.139,663 -0.074,664 -0.151,665 -0.101,666 2.206,667 5.83,668 0.667,669 29.259,670 1,671 1.119,672 4.652,673 21.638,674 0.678,675 3.401,676 3.689,677 3.912,678 4.094,679 4.263,680 4.248,681 4.331,682 4.331,683 4.317,684 4.419,685 7.446,686 0.645,687 363.46,688 3.401,689 4.92,690 5.746,691 6.597,692 7.435,693 8.29,694 9.133,695 9.989,696 10.836,697 11.693,698 2,701 1,715 12,720 6,722 18,727 1,739 1,740 1,741 49,743 19,744 3,745 29,747 51,748 23,749 18,750 6,751 12,752 1,756 3,757 3,772 19,773 4,777 1,782 1,786 1,791 1,793 22,794 4,796 4,802 1,808 1,809 2,829 3,855 1,859 3,864 2,866 1,868 27,876 2,878 1,881 1,892 1,893 4.1,896 1,898 1,901 14.167,902 9.426,903 6.083,904 2.734,907 3.036,908 1.429,909 0.973,910 6.128,911 10.113,912 3.689,913 4.256,914 4.798,915 5.293,916 5.8,917 5.872,918 6.148,919 6.323,920 6.579,921 6.971,922 0.889,923 40,924 10.008,926 4.184,927 0.026,929 7.84,931 18.928,933 15.055,936 2.34,937 63.167,940 1,941 258.964,942 169.446,943 3.124,945 36.145,946 14.96,948 169.446,949 295.109,950 18.084,951 19.279,952 4.211,953 113.715,954 30.278,955 41.231,956 14.96,957 258.964,959 258.964,960 172.57,961 51.105,964 273.924,965 36.145,968 7.336,969 165.235,972 273.924,973 39.269,974 169.446,977 258.964,978 36.452,979 136.119,981 51.105,982 258.964,983 54.229,984 169.446,986 0.574,987 0.335,988 0.173,989 0.088,990 17,991 8,992 0.137,993 7,995 1,996 3.973,997 214.672,999 18,1000 120.382,1005 18.97,1006 8.722,1007 4.883,1009 54.229,1010 21.989,1015 2.807,1018 482.64,1019 39,1024 12.555,1028 -0.208,1031 48.989,1032 54.824,1034 0.258,1035 0.545,1036 0.695,1037 0.829,1038 0.871,1039 0.878,1040 4.894,1041 1.389,1042 5.714,1043 3.729,1044 4.369,1045 4.942,1046 1.51,1047 6.469,1048 4.325,1049 6.086,1050 1,1051 7.244,1052 2.998,1053 3.892,1054 4.605,1055 0.325,1056 7.256,1057 3.819,1058 7.372,1059 1,1060 8.87,1061 2.335,1062 5.916,1063 7.079,1064 1.266,1065 10.308,1066 5.842,1067 8.691,1068 0.958,1069 10.552,1070 2.275,1071 6.236,1072 7.527,1073 0.504,1074 11.89,1075 6.145,1076 10.039,1077 0.532,1078 12.27,1079 2.136,1080 7.722,1081 9.472,1082 1.104,1083 14.45,1084 7.633,1085 11.408,1086 0.038,1087 14.013,1088 0.929,1089 8.417,1090 10.303,1091 0.585,1092 16.376,1093 8.321,1094 12.793,1095 -0.266,1096 15.773,1097 0.099,1098 9.67,1099 11.996,1100 0.988,1101 18.755,1102 9.578,1103 3.027,1104 -0.307,1105 17.547,1106 -0.513,1107 10.553,1108 13.039,1109 0.622,1110 20.848,1111 10.462,1112 2.752,1113 9.789,1114 19.331,1115 -0.656,1116 11.703,1117 14.595,1118 0.901,1119 23.155,1120 11.617,1121 2.652,1122 8.461,1123 21.124,1124 4.026,1125 12.681,1126 15.765,1127 0.639,1128 25.332,1129 12.603,1130 2.439,1131 7.657,1132 22.924,1133 3.707,1134 13.787,1135 17.242,1136 0.836,1137 27.612,1138 13.718,1139 2.062,1140 6.997,1141 24.73,1142 3.456,1143 14.814,1144 18.491,1145 0.646,1146 29.833,1147 14.757,1148 1.819,1149 6.058,1150 26.542,1151 3.213,1152 15.903,1153 19.923,1154 0.787,1155 32.104,1156 15.857,1157 1.477,1158 4.959,1159 28.358,1160 2.627,1161 16.957,1162 21.221,1163 0.648,1164 34.348,1165 16.926,1166 9445,1167 15719,1168 19.186,1169 33.228,1170 42.972,1171 44.049,1172 44.09,1173 42.387,1174 42.288,1175 56.345,1176 4.427,1177 116.84,1178 41.214,1179 5.256,1180 5.591,1181 6.221,1182 5.035,1183 5.027,1184 7.026,1185 1.855,1186 16.619,1187 5.052,1188 13.569,1189 1.482,1190 1.519,1191 1.52,1192 1.462,1193 1.458,1194 1.943,1195 0.153,1196 4.029,1197 1.421,1198 4.018,1199 4.041,1200 3.972,1201 3.948,1202 8.201,1203 3.949,1204 3.913,1205 3.943,1206 3.846,1207 3.846,1208 7.427,1209 3.841,1210 3.844,1211 3.869,1212 3.786,1213 3.774,1214 4.793,1215 3.774,1216 3.519,1217 3.59,1218 3.407,1219 3.323,1220 4.752,1221 3.333,1222 3.303,1223 3.345,1224 3.202,1225 3.088,1226 4.687,1227 3.108,1228 3.115,1229 3.166,1230 2.948,1231 2.903,1232 4.309,1233 2.898,1234 2.966,1235 3.053,1236 2.814,1237 2.8,1238 4.18,1239 2.782,1240 2.897,1241 2.957,1242 2.765,1243 2.735,1244 3.674,1245 2.734,1246 0.151,1247 0.124,1248 0.221,1249 0.139,1250 0.104,1251 4.39,1252 0.139,1253 3.591,1254 0.034,1255 6.419,1256 0.338,1257 4.033,1258 0.105,1259 3.027,1260 4.026,1261 0.995,1262 9.789,1263 3.052,1264 1.972,1265 1.953,1266 2.074,1267 2.062,1268 1.235,1269 2.066,1270 1.911,1271 1.882,1272 2.03,1273 2.004,1274 1.139,1275 2.012,1276 1.831,1277 1.81,1278 1.934,1279 1.928,1280 1.045,1281 1.933,1282 1.478,1283 1.407,1284 1.724,1285 1.707,1286 0.844,1287 1.717,1288 1.231,1289 1.187,1290 1.571,1291 1.522,1292 0.581,1293 1.536,1294 1.09,1295 1.028,1296 1.375,1297 1.297,1298 0.535,1299 1.308,1300 0.999,1301 0.914,1302 1.331,1303 1.221,1304 0.493,1305 1.272,1306 0.886,1307 0.821,1308 1.181,1309 1.069,1310 0.218,1311 1.107,1312 4.078,1314 5.371,1316 6.86,1318 8.43,1320 10.04,1322 3.458,1324 13.83,1328 1.632,1330 4.89,1333 2.213,1340 31.629,1341 70.971,1342 149.862,1343 191.082,1344 228.101,1345 239.611,1346 241.611,1347 55.655,1348 7.077,1349 29.54,1350 29.54,1351 18,1352 12.248,1353 4.322,1354 3.459,1355 47.365,1356 123,1357 110,1358 0.19,1359 195.925,1360 344.93,1361 469.817,1362 11429,1363 2,1364 19.225,1365 0.712,1366 0.573,1367 18.355,1368 15.484,1369 13.063,1370 0.45,1371 0.302,1372 8.645,1373 12.629,1374 8.345,1375 7.003,1376 12.652,1377 8.762,1378 11.439,1379 0.293,1380 0.168,1381 10.91,1382 6.533,1383 9.487,1384 0.194,1385 0.089,1386 9.043,1387 4.378,1388 7.576,1389 0.128,1390 0.051,1391 7.114,1392 2.998,1393 5.671,1394 0.081,1395 0.027,1396 5.461,1397 1.924,1398 0.307,1399 81.633,1400 0.228,1401 26.593,1402 0.493,1403 136,1404 441.227,1405 146.562,1406 403.141,1407 535.18,1408 376,1409 156,1410 373.276,1411 167.499,1412 381.457,1413 549.28,1414 354,1415 5.804}
{0 CHEMBL478666,1 1.443,2 16.243,3 6.863,4 47.098,5 152.458,6 7.33,7 0.619,8 4.34,9 4.464,10 3.907,11 3.937,12 5.317,13 3.894,14 4.906,15 5.079,16 4.274,17 4.36,18 5.831,19 4.287,20 5.2,21 5.433,22 4.351,23 4.488,24 6.051,25 4.387,26 5.191,27 5.423,28 4.303,29 4.455,30 6.067,31 4.347,32 5.165,33 5.396,34 4.174,35 4.449,36 5.963,37 4.314,38 5.223,39 5.474,40 4.11,41 4.442,42 5.973,43 4.27,44 5.222,45 5.505,46 3.959,47 4.339,48 5.912,49 4.134,50 5.081,51 5.372,52 3.824,53 4.165,54 5.811,55 3.965,56 0.065,57 0.994,58 14.944,59 6.524,60 8.473,61 8.887,62 0.174,63 1.672,64 28.736,65 11.554,66 21.475,67 15.876,68 0.34,69 2.125,70 43.567,71 15.468,72 36.463,73 21.618,74 0.559,75 2.119,76 42.697,77 14.826,78 45.996,79 20.843,80 0.315,81 2.035,82 39.988,83 15.353,84 32.454,85 21.39,86 0.34,87 2.085,88 44.241,89 16.945,90 35.126,91 23.777,92 0.349,93 2.01,94 48.66,95 17.158,96 36.1,97 24.246,98 0.481,99 1.741,100 45.698,101 14.495,102 41.441,103 20.498,104 2,105 58,106 0.223,107 0.553,108 0.733,109 0.863,110 0.9,111 0.905,112 3.641,113 0.988,114 -5.24,115 -5.13,116 -4.8,121 44.3,123 6,127 4,144 10,145 4,146 3,148 2,154 2,176 13,180 7,185 9,187 18,192 5,197 5,200 13,206 5,209 3,210 1,211 6,214 17,219 2,224 1,227 16,232 3,237 7,239 15,249 4,251 6,259 2,260 1,261 6,264 7,274 3,277 4,281 2528,282 25.966,283 25.966,284 25.966,285 25.966,286 25.966,287 22.971,288 25.1,289 15.798,290 26.469,291 20.845,292 20.845,293 20.845,294 20.845,295 20.845,296 16.205,297 30.568,298 7.587,299 21.712,300 4.686,301 2.559,302 1.393,303 0.554,304 0.314,305 0.286,306 4.367,308 1,312 1,313 1365,314 3.808,317 69.093,318 454.117,321 271.028,322 304.139,325 2.143,326 21.535,329 0.75,330 0.5,331 0.67,332 0.7,333 0.5,334 0.83,335 1,336 0.71,337 77.333,338 601,339 4.759,340 3.373,341 6.937,342 4.255,343 3.275,344 4.858,345 0.86,346 11.741,347 3.207,348 4.651,349 3.338,350 6.833,351 4.214,352 3.235,353 4.582,354 0.4,355 11.364,356 3.165,357 3.99,358 2.943,359 6.004,360 3.58,361 2.61,362 3.551,363 0.4,364 8.477,365 2.532,366 3.909,367 2.699,368 5.796,369 3.433,370 2.47,371 3.534,373 7.831,374 2.381,375 3.584,376 2.563,377 5.427,378 3.192,379 2.252,380 2.961,382 6.886,383 2.102,384 3.471,385 2.275,386 5.192,387 2.997,388 2.047,389 2.893,391 6.168,392 1.934,393 3.365,394 2.185,395 4.899,396 2.887,397 1.985,398 2.699,400 5.573,401 1.78,402 3.076,403 2.064,404 4.656,405 2.816,406 1.864,407 2.339,409 4.627,410 1.703,411 2.928,412 1.778,413 4.121,414 2.605,415 1.636,416 2.121,418 3.804,419 1.583,420 2.884,421 1.663,422 3.98,423 2.515,424 1.534,425 1.903,427 3.424,428 1.501,429 2.698,430 1.52,431 3.842,432 2.428,433 1.44,434 1.748,436 3.306,437 1.416,438 2.635,439 1.435,440 3.751,441 2.401,442 1.414,443 1.688,445 3.097,446 1.393,447 2.537,448 1.429,449 3.625,450 2.249,451 1.257,452 1.541,454 3.039,455 1.246,456 2.487,457 1.369,458 3.582,459 2.16,460 1.201,461 1.486,463 2.673,464 1.149,465 2.215,466 1.158,467 3.527,468 2.066,469 1.095,470 1.201,472 2.533,473 1.056,474 18.148,475 0.49,476 0.654,477 0.018,478 46.75,479 1.264,480 23,481 0.622,482 23.75,483 0.642,484 35.807,485 0.968,486 38.852,487 0.555,488 32.908,489 0.889,490 8.663,491 0.234,492 9.613,493 0.26,494 0.039,496 0.303,501 0.877,502 1.171,503 0.718,504 0.952,505 0.758,506 0.906,507 1.053,508 1.191,509 0.819,510 1.007,511 0.814,512 0.987,513 1.171,514 1.024,515 0.872,516 0.893,517 0.98,518 0.872,519 1.132,520 0.934,521 0.906,522 0.922,523 0.961,524 0.952,525 1.104,526 1.039,527 0.92,528 1.028,529 0.991,530 1.075,531 0.874,532 1.105,533 0.939,534 1.121,535 0.902,536 1.148,537 0.922,538 1.053,539 1.055,540 1.063,541 1.014,542 1.065,543 1.075,544 0.89,545 1.254,546 0.993,547 1.178,548 0.989,549 4.5,550 0.107,551 3.333,552 2.729,553 1.942,554 0.782,555 0.582,556 0.305,557 0.215,558 0.153,559 28066,560 62880,561 2.214,562 47.1,563 6,564 18,567 3,568 2,570 4,572 1.771,573 2.155,574 3.858,575 0.702,582 101.005,583 1.443,584 3.57,585 4.737,586 5.576,587 5.815,588 5.844,589 3.151,590 4.993,591 5.192,592 4.123,593 2745.97,594 9.071,595 50065.2,600 429.05,601 1.043,602 5.174,603 0.107,604 0.004,605 0.057,606 0.045,607 0.035,608 0.016,609 0.014,610 0.009,611 0.007,612 0.005,613 0.299,614 0.17,615 0.75,616 0.282,617 210.378,618 -0.032,619 -0.018,620 0.039,621 0.028,622 0.012,623 0.05,624 -0.061,625 -0.101,626 -0.002,627 -0.038,628 0.053,629 -0.03,630 -0.054,632 0.06,633 0.07,634 0.033,635 0.092,636 0.09,637 0.117,638 -0.013,639 0.017,640 0.081,641 -0.009,642 -0.126,643 -0.028,644 -0.091,645 -0.064,646 -0.119,647 -0.104,648 -0.015,649 -0.144,650 -0.064,651 -0.138,652 -0.063,653 -0.155,654 -0.026,655 -0.131,656 -0.021,657 -0.069,658 -0.07,659 -0.059,660 0.034,661 0.048,662 -0.055,663 -0.002,664 -0.039,665 0.004,666 0.923,667 2.686,668 0.73,669 39.397,670 0.99,671 1.12,672 4.007,673 16.053,674 0.682,675 3.761,676 4.078,677 4.407,678 4.745,679 5.024,680 5.118,681 5.247,682 5.366,683 5.342,684 5.263,685 9.81,686 0.636,687 513.13,688 3.761,689 5.303,690 6.172,691 7.062,692 7.953,693 8.856,694 9.758,695 10.667,696 11.573,697 12.485,698 5.7,700 1,703 1,706 1,708 1,714 6,715 10,716 1,717 1,720 5,722 26,734 1,739 1,740 1,741 70,743 26,744 3,745 42,747 75,748 31,749 21,750 8,751 10,756 6,757 12,758 1,767 4,770 6,772 21,773 10,793 33,794 4,795 3,796 6,797 1,802 4,808 0.333,809 1,822 1,824 1,828 1,829 5,832 2,833 2,853 1,859 2,865 1,868 37,876 10,877 2,878 1,892 1,893 1.4,898 1,901 17.167,902 12.343,903 8.139,904 4.657,907 5.489,908 1.612,909 1.045,910 7.496,911 14.46,912 4.025,913 4.68,914 5.375,915 6.081,916 6.716,917 7.117,918 7.555,919 7.984,920 8.162,921 8.271,922 1,923 61,924 13.714,926 5.864,927 0.026,929 7.431,931 27.259,933 23.259,936 1.931,937 71.444,941 353.133,942 152.474,943 69.593,944 39.149,945 11,948 152.474,949 403.282,950 69.593,952 26.117,953 112.773,954 34.796,955 55.092,956 4.288,957 353.133,958 39.149,959 353.133,960 222.066,961 11,962 39.149,964 306.049,965 58.084,968 65.814,969 121.456,970 73.945,972 353.133,973 80.592,974 191.622,977 353.133,978 57.711,979 94.762,980 52.807,981 66.934,982 353.133,983 80.592,984 191.622,986 0.57,987 0.338,988 0.202,989 0.118,990 29,991 11,992 0.133,993 10,994 4,995 1.296,996 5.019,997 354.923,998 0.296,999 27,1000 192.75,1005 24.539,1006 11.302,1007 5.288,1008 6.83,1009 63.807,1010 20.681,1011 4.923,1012 3.482,1015 5.596,1017 52.807,1018 625.348,1019 55,1031 69.312,1032 78.375,1034 0.235,1035 0.582,1036 0.773,1037 0.91,1038 0.949,1039 0.953,1040 5.255,1041 1.864,1042 6.133,1043 5.573,1044 4.762,1045 5.368,1046 1.138,1047 6.965,1048 4.687,1049 6.46,1050 1.636,1051 7.69,1052 4.627,1053 4.205,1054 5.247,1056 7.91,1057 4.081,1058 7.778,1059 1.534,1060 9.357,1061 3.804,1062 6.351,1063 7.703,1064 0.787,1065 11.094,1066 6.223,1067 9.143,1068 1.44,1069 11.095,1070 3.424,1071 6.711,1072 8.506,1074 12.956,1075 6.555,1076 10.55,1077 1.414,1078 12.88,1079 3.306,1080 8.265,1081 10.405,1082 0.602,1083 15.643,1084 8.1,1085 11.987,1086 1.257,1087 14.699,1088 3.097,1089 9.074,1090 11.631,1092 17.863,1093 8.89,1094 13.449,1095 1.201,1096 16.541,1097 3.039,1098 10.389,1099 13.317,1100 0.471,1101 20.391,1102 10.191,1103 3.275,1104 1.095,1105 18.4,1106 2.673,1107 11.407,1108 14.734,1110 22.75,1111 11.192,1112 3.235,1113 11.741,1114 20.273,1115 2.533,1116 12.63,1117 16.339,1118 0.367,1119 25.225,1120 12.399,1121 2.61,1122 11.364,1123 22.157,1124 4.858,1125 13.74,1126 17.839,1128 27.639,1129 13.49,1130 2.47,1131 8.477,1132 24.049,1133 4.582,1134 14.931,1135 19.414,1136 0.283,1137 30.097,1138 14.663,1139 2.252,1140 7.831,1141 25.947,1142 3.551,1143 16.08,1144 20.95,1146 32.532,1147 15.792,1148 2.047,1149 6.886,1150 27.851,1151 3.534,1152 17.26,1153 22.516,1154 0.217,1155 34.985,1156 16.953,1157 1.985,1158 6.168,1159 29.759,1160 2.961,1161 18.426,1162 24.068,1164 37.429,1165 18.099,1166 25138,1167 37814,1168 29.413,1169 47.756,1170 62.128,1171 63.131,1172 63.444,1173 62.393,1174 62.213,1175 82.435,1176 3.32,1177 177.426,1178 59.666,1179 5.72,1180 5.373,1181 6.845,1182 5.33,1183 5.275,1184 7.858,1185 1.72,1186 19.28,1187 5.207,1188 8.76,1189 1.479,1190 1.503,1191 1.511,1192 1.486,1193 1.481,1194 1.963,1195 0.079,1196 4.224,1197 1.421,1198 4.218,1199 4.244,1200 4.189,1201 4.143,1202 5.074,1203 4.151,1204 4.11,1205 4.138,1206 4.12,1207 4.041,1208 5.029,1209 4.045,1210 3.745,1211 3.811,1212 3.778,1213 3.662,1214 4.685,1215 3.647,1216 3.733,1217 3.78,1218 3.631,1219 3.627,1220 4.645,1221 3.622,1222 3.68,1223 3.719,1224 3.559,1225 3.538,1226 4.399,1227 3.533,1228 3.538,1229 3.608,1230 3.425,1231 3.371,1232 4.299,1233 3.361,1234 3.3,1235 3.362,1236 3.333,1237 3.172,1238 4.174,1239 3.16,1240 3.212,1241 3.277,1242 3.125,1243 3.044,1244 4.121,1245 3.051,1246 0.113,1247 0.08,1248 0.165,1249 0.101,1250 0.078,1251 4.759,1252 0.116,1253 3.373,1254 0.02,1255 6.937,1256 0.28,1257 4.255,1258 0.076,1259 3.275,1260 4.858,1261 0.86,1262 11.741,1263 3.207,1264 2.07,1265 2.047,1266 2.148,1267 2.158,1268 1.435,1269 2.158,1270 1.984,1271 1.971,1272 2.06,1273 2.045,1274 1.257,1275 2.049,1276 1.864,1277 1.829,1278 1.974,1279 1.997,1280 1.219,1281 1.992,1282 1.75,1283 1.71,1284 1.944,1285 1.914,1286 1.157,1287 1.929,1288 1.698,1289 1.624,1290 1.921,1291 1.863,1292 1.113,1293 1.891,1294 1.539,1295 1.47,1296 1.81,1297 1.745,1298 1.042,1299 1.77,1300 1.271,1301 1.221,1302 1.486,1303 1.484,1304 0.757,1305 1.489,1306 1.158,1307 1.096,1308 1.435,1309 1.379,1310 0.645,1311 1.384,1312 4.443,1314 5.759,1315 2.398,1316 7.286,1317 4.844,1318 8.922,1319 7.066,1320 10.62,1323 6.251,1328 10.187,1329 7.308,1330 6.186,1340 44.53,1341 101.005,1342 249.908,1343 331.566,1344 390.295,1345 407.05,1346 409.05,1347 50.684,1348 8.972,1349 61.97,1350 61.97,1351 35,1352 13,1353 4.755,1354 3.807,1355 51.694,1356 230,1357 165,1358 0.107,1359 271.078,1360 455.16,1361 653.189,1362 152224,1363 1.4,1364 25.029,1365 0.676,1366 0.59,1367 25.529,1368 21.834,1369 18.276,1370 0.435,1371 0.329,1372 13.377,1373 17.565,1374 13.106,1375 10.794,1376 18.565,1377 13.834,1378 15.975,1379 0.275,1380 0.178,1381 16.383,1382 10.299,1383 13.895,1384 0.172,1385 0.093,1386 14.157,1387 7.54,1388 12.402,1389 0.109,1390 0.05,1391 12.637,1392 5.687,1393 10.669,1394 0.071,1395 0.028,1396 10.901,1397 4.237,1398 0.178,1399 115.51,1400 0.184,1401 34.754,1402 0.266,1403 200,1404 464.583,1405 226.278,1406 489.163,1407 688.01,1408 464,1409 239,1410 504.205,1411 260.406,1412 522.368,1413 775.76,1414 498,1415 8.668}
{0 CHEMBL478667,1 1.429,2 17.079,3 7.443,4 55.395,5 157.102,6 7.221,7 0.605,8 4.377,9 4.502,10 3.931,11 3.971,12 5.343,13 3.924,14 4.947,15 5.123,16 4.293,17 4.394,18 5.858,19 4.315,20 5.245,21 5.483,22 4.368,23 4.522,24 6.079,25 4.416,26 5.236,27 5.473,28 4.321,29 4.488,30 6.09,31 4.376,32 5.215,33 5.452,34 4.197,35 4.481,36 6.009,37 4.343,38 5.255,39 5.507,40 4.128,41 4.481,42 5.989,43 4.305,44 5.269,45 5.554,46 3.983,47 4.39,48 5.943,49 4.18,50 5.14,51 5.434,52 3.85,53 4.22,54 5.841,55 4.017,56 0.07,57 1.034,58 15.886,59 6.884,60 9.027,61 9.447,62 0.184,63 1.74,64 30.434,65 12.181,66 22.451,67 16.865,68 0.353,69 2.209,70 45.783,71 16.273,72 37.705,73 22.91,74 0.52,75 2.204,76 44.92,77 15.616,78 45.289,79 22.086,80 0.411,81 2.124,82 42.664,83 16.023,84 37.385,85 22.488,86 0.331,87 2.149,88 45.636,89 17.68,90 34.351,91 24.941,92 0.35,93 2.089,94 50.596,95 18.153,96 36.385,97 25.694,98 0.412,99 1.831,100 47.822,101 15.4,102 38.983,103 21.862,104 2,105 59,106 0.22,107 0.542,108 0.727,109 0.865,110 0.901,111 0.905,112 3.667,113 1,114 -5.42,115 -5.3,116 -4.95,121 43.8,123 7,127 4,144 10,145 4,146 3,148 2,154 2,176 14,180 7,185 9,187 18,192 6,197 6,200 13,206 5,209 2,210 1,211 6,214 17,219 2,222 1,224 1,227 19,232 2,237 5,239 17,244 1,249 6,251 8,259 1,261 6,264 7,272 1,273 1,274 3,277 7,281 2758,282 26.673,283 26.673,284 26.673,285 26.673,286 26.673,287 23.678,288 25.1,289 16.298,290 27.176,291 21.345,292 21.345,293 21.345,294 21.345,295 21.345,296 16.705,297 28.863,298 7.837,299 22.212,300 4.761,301 2.663,302 1.462,303 0.558,304 0.329,305 0.301,306 4.392,308 1,313 1471,314 3.937,317 73.228,318 479.591,321 286.609,322 321.16,325 2.277,326 21.722,329 0.5,330 0.5,331 0.67,332 0.7,333 0.5,334 0.67,335 0.5,336 0.58,337 79.333,338 649,339 4.759,340 3.373,341 6.937,342 4.255,343 3.275,344 4.858,345 0.86,346 11.741,347 3.207,348 4.651,349 3.338,350 6.833,351 4.214,352 3.235,353 4.582,354 0.4,355 11.364,356 3.165,357 3.99,358 2.943,359 6.004,360 3.58,361 2.61,362 3.551,363 0.4,364 8.477,365 2.532,366 3.909,367 2.699,368 5.796,369 3.433,370 2.47,371 3.534,373 7.831,374 2.381,375 3.584,376 2.563,377 5.427,378 3.192,379 2.252,380 2.961,382 6.886,383 2.102,384 3.471,385 2.275,386 5.192,387 2.999,388 2.047,389 2.893,391 6.168,392 1.937,393 3.365,394 2.18,395 4.899,396 2.89,397 1.986,398 2.699,400 5.573,401 1.812,402 3.076,403 2.08,404 4.656,405 2.841,406 1.886,407 2.339,409 4.627,410 1.704,411 2.931,412 1.801,413 4.121,414 2.636,415 1.668,416 2.121,418 3.836,419 1.612,420 2.899,421 1.685,422 3.983,423 2.554,424 1.568,425 1.918,427 3.463,428 1.545,429 2.72,430 1.551,431 3.865,432 2.432,433 1.445,434 1.764,436 3.352,437 1.419,438 2.643,439 1.442,440 3.752,441 2.41,442 1.423,443 1.697,445 3.105,446 1.402,447 2.579,448 1.433,449 3.654,450 2.25,451 1.278,452 1.594,454 3.078,455 1.246,456 2.489,457 1.394,458 3.582,459 2.223,460 1.254,461 1.488,463 2.767,464 1.204,465 2.304,466 1.205,467 3.563,468 2.112,469 1.128,470 1.295,472 2.596,473 1.107,474 18.648,475 0.491,476 0.654,477 0.017,478 47.25,479 1.243,480 23,481 0.605,482 24.25,483 0.638,484 37.725,485 0.993,486 40.152,487 0.55,488 33.096,489 0.871,490 8.663,491 0.228,492 10.113,493 0.266,494 0.038,496 0.295,501 0.877,502 1.18,503 0.733,504 0.968,505 0.756,506 0.923,507 1.048,508 1.2,509 0.832,510 1.022,511 0.809,512 1.003,513 1.157,514 1.021,515 0.869,516 0.893,517 0.964,518 0.873,519 1.169,520 0.962,521 0.902,522 0.933,523 0.973,524 0.952,525 1.154,526 0.981,527 0.926,528 0.981,529 1.019,530 1.043,531 0.795,532 1.102,533 0.936,534 1.129,535 0.861,536 1.153,537 0.879,538 1.042,539 1.044,540 1.065,541 0.984,542 1.066,543 1.116,544 0.941,545 1.228,546 1.005,547 1.185,548 0.989,549 4.5,550 0.123,551 3.333,552 2.729,553 1.942,554 0.782,555 0.582,556 0.305,557 0.215,558 0.153,559 30961,560 68437,561 2.208,562 47.9,563 6,564 18,567 3,568 2,569 4,570 2,572 1.777,573 2.151,574 3.922,575 0.686,582 104.332,583 1.429,584 3.527,585 4.728,586 5.632,587 5.861,588 5.888,589 3.191,590 4.932,591 5.231,592 4.198,593 2951.3,594 9.142,595 55859.3,600 451.857,601 1.03,602 5.213,603 0.105,604 0.004,605 0.056,606 0.044,607 0.034,608 0.016,609 0.014,610 0.009,611 0.007,612 0.005,613 0.294,614 0.17,615 0.63,616 0.276,617 218.921,618 -0.027,619 -0.018,620 0.04,621 0.027,622 0.022,623 0.048,624 -0.055,625 -0.106,626 -0.004,627 -0.044,628 0.063,629 -0.036,630 -0.044,631 0.002,632 0.066,633 0.071,634 0.047,635 0.094,636 0.047,637 0.085,638 -0.004,639 0.01,640 0.067,641 -0.004,642 -0.094,643 0.035,644 -0.085,645 -0.021,646 -0.104,647 -0.077,648 -0.001,649 -0.138,650 -0.064,651 -0.142,652 -0.054,653 -0.156,654 -0.017,655 -0.126,656 -0.021,657 -0.07,658 -0.062,659 -0.061,660 -0.045,661 -0.011,662 -0.049,663 -0.016,664 -0.077,665 0.003,666 0.92,667 2.697,668 0.711,669 42.443,670 0.989,671 1.12,672 4.192,673 17.573,674 0.678,675 3.784,676 4.094,677 4.419,678 4.754,679 5.03,680 5.124,681 5.252,682 5.371,683 5.347,684 5.268,685 10.322,686 0.631,687 527.16,688 3.784,689 5.323,690 6.188,691 7.076,692 7.965,693 8.865,694 9.765,695 10.672,696 11.578,697 12.488,698 5.5,700 1,703 1,706 1,708 1,714 6,715 10,716 1,717 1,720 5,722 26,734 1,739 1,740 1,741 73,743 26,744 3,745 43,747 78,748 32,749 21,750 8,751 10,756 6,757 12,758 1,767 4,770 7,772 21,773 11,793 35,794 4,795 3,796 6,797 1,802 4,808 0.333,809 1,822 1,824 1,828 1,829 5,832 2,833 2,853 1,859 2,865 1,868 38,876 11,877 2,878 1,892 1,893 1.4,898 1,901 17.667,902 12.843,903 8.389,904 4.907,907 5.47,908 1.608,909 1.039,910 8.007,911 14.462,912 4.043,913 4.689,914 5.38,915 6.083,916 6.717,917 7.117,918 7.556,919 7.984,920 8.162,921 8.271,922 0.909,923 62,924 14.093,926 6.006,927 0.026,929 7.42,931 28.076,933 23.926,936 1.92,937 72.944,941 376.675,942 155.008,943 69.593,944 39.149,945 11,948 155.008,949 426.824,950 69.593,952 28.651,953 112.773,954 34.796,955 55.092,956 4.288,957 376.675,958 39.149,959 376.675,960 224.601,961 11,962 39.149,964 306.049,965 81.626,968 68.348,969 121.456,970 73.945,972 376.675,973 80.592,974 194.157,977 376.675,978 60.246,979 94.762,980 52.807,981 66.934,982 376.675,983 80.592,984 194.157,986 0.568,987 0.336,988 0.2,989 0.116,990 29,991 11,992 0.141,993 11,994 4,995 1.296,996 5.136,997 363.509,998 0.296,999 27,1000 197.421,1005 25.484,1006 11.94,1007 5.661,1008 6.868,1009 63.807,1010 20.728,1011 4.927,1012 3.486,1015 5.629,1017 52.807,1018 651.424,1019 56,1031 72.196,1032 81.79,1034 0.231,1035 0.57,1036 0.764,1037 0.91,1038 0.947,1039 0.951,1040 5.27,1041 1.886,1042 6.146,1043 5.573,1044 4.779,1045 5.378,1046 1.138,1047 6.973,1048 4.706,1049 6.47,1050 1.668,1051 7.699,1052 4.627,1053 4.205,1054 5.247,1056 7.91,1057 4.081,1058 7.786,1059 1.568,1060 9.363,1061 3.836,1062 6.361,1063 7.706,1064 0.787,1065 11.095,1066 6.235,1067 9.149,1068 1.445,1069 11.099,1070 3.463,1071 6.711,1072 8.506,1074 12.956,1075 6.555,1076 10.554,1077 1.423,1078 12.883,1079 3.352,1080 8.27,1081 10.406,1082 0.602,1083 15.643,1084 8.106,1085 11.99,1086 1.278,1087 14.7,1088 3.105,1089 9.074,1090 11.631,1092 17.863,1093 8.89,1094 13.45,1095 1.254,1096 16.541,1097 3.078,1098 10.391,1099 13.317,1100 0.471,1101 20.391,1102 10.194,1103 3.275,1104 1.128,1105 18.401,1106 2.767,1107 11.407,1108 14.734,1110 22.75,1111 11.192,1112 3.235,1113 11.741,1114 20.274,1115 2.596,1116 12.631,1117 16.339,1118 0.367,1119 25.225,1120 12.4,1121 2.61,1122 11.364,1123 22.157,1124 4.858,1125 13.74,1126 17.839,1128 27.639,1129 13.49,1130 2.47,1131 8.477,1132 24.049,1133 4.582,1134 14.931,1135 19.414,1136 0.283,1137 30.097,1138 14.663,1139 2.252,1140 7.831,1141 25.947,1142 3.551,1143 16.08,1144 20.95,1146 32.532,1147 15.792,1148 2.047,1149 6.886,1150 27.851,1151 3.534,1152 17.261,1153 22.516,1154 0.217,1155 34.985,1156 16.953,1157 1.986,1158 6.168,1159 29.759,1160 2.961,1161 18.426,1162 24.068,1164 37.429,1165 18.099,1166 27759,1167 41468,1168 30.107,1169 49.518,1170 63.43,1171 64.424,1172 64.754,1173 63.683,1174 63.49,1175 83.712,1176 3.32,1177 179.977,1178 60.942,1179 5.724,1180 5.373,1181 6.861,1182 5.326,1183 5.275,1184 7.858,1185 1.72,1186 19.28,1187 5.207,1188 8.954,1189 1.475,1190 1.498,1191 1.506,1192 1.481,1193 1.477,1194 1.947,1195 0.077,1196 4.186,1197 1.417,1198 4.218,1199 4.245,1200 4.189,1201 4.143,1202 5.074,1203 4.151,1204 4.11,1205 4.138,1206 4.12,1207 4.042,1208 5.029,1209 4.045,1210 3.758,1211 3.828,1212 3.778,1213 3.662,1214 4.685,1215 3.647,1216 3.735,1217 3.78,1218 3.635,1219 3.629,1220 4.645,1221 3.625,1222 3.686,1223 3.724,1224 3.575,1225 3.568,1226 4.392,1227 3.56,1228 3.581,1229 3.65,1230 3.443,1231 3.425,1232 4.318,1233 3.412,1234 3.337,1235 3.41,1236 3.363,1237 3.183,1238 4.181,1239 3.175,1240 3.235,1241 3.293,1242 3.159,1243 3.055,1244 4.128,1245 3.065,1246 0.111,1247 0.078,1248 0.161,1249 0.099,1250 0.076,1251 4.759,1252 0.113,1253 3.373,1254 0.02,1255 6.937,1256 0.273,1257 4.255,1258 0.075,1259 3.275,1260 4.858,1261 0.86,1262 11.741,1263 3.207,1264 2.07,1265 2.047,1266 2.148,1267 2.158,1268 1.435,1269 2.158,1270 1.984,1271 1.971,1272 2.061,1273 2.045,1274 1.297,1275 2.05,1276 1.864,1277 1.83,1278 1.984,1279 1.997,1280 1.221,1281 1.993,1282 1.75,1283 1.71,1284 1.957,1285 1.928,1286 1.192,1287 1.945,1288 1.723,1289 1.653,1290 1.926,1291 1.863,1292 1.129,1293 1.892,1294 1.59,1295 1.521,1296 1.855,1297 1.786,1298 1.044,1299 1.814,1300 1.296,1301 1.238,1302 1.549,1303 1.546,1304 0.776,1305 1.552,1306 1.196,1307 1.135,1308 1.459,1309 1.398,1310 0.75,1311 1.41,1312 4.466,1314 5.778,1315 2.398,1316 7.299,1317 4.844,1318 8.931,1319 7.066,1320 10.626,1323 6.254,1328 11.516,1329 7.341,1330 6.197,1340 46.057,1341 104.332,1342 257.437,1343 345.154,1344 411.102,1345 427.857,1346 429.857,1347 53.284,1348 8.991,1349 61.97,1350 61.97,1351 35,1352 13.004,1353 4.755,1354 3.807,1355 53.828,1356 249,1357 176,1358 0.102,1359 280.67,1360 472.46,1361 676.595,1362 160228,1363 1.4,1364 25.736,1365 0.677,1366 0.593,1367 26.236,1368 22.541,1369 18.776,1370 0.437,1371 0.333,1372 13.877,1373 18.065,1374 13.596,1375 11.211,1376 19.065,1377 14.334,1378 16.328,1379 0.277,1380 0.181,1381 16.737,1382 10.652,1383 14.145,1384 0.173,1385 0.095,1386 14.407,1387 7.79,1388 12.579,1389 0.109,1390 0.051,1391 12.813,1392 5.842,1393 10.794,1394 0.071,1395 0.029,1396 11.026,1397 4.341,1398 0.172,1399 118.51,1400 0.182,1401 35.69,1402 0.253,1403 204,1404 468.583,1405 230.278,1406 493.325,1407 693.77,1408 468,1409 243,1410 508.205,1411 264.406,1412 526.53,1413 781.52,1414 502,1415 8.783}
{0 CHEMBL479291,1 1.507,2 6.5,3 2.602,4 6.772,5 72.896,6 8.322,7 0.667,8 3.657,9 3.73,10 3.339,11 3.239,12 4.763,13 3.256,14 4.21,15 4.319,16 3.774,17 3.698,18 5.319,19 3.704,20 4.388,21 4.531,22 3.762,23 3.832,24 5.418,25 3.788,26 4.413,27 4.586,28 3.674,29 3.784,30 5.381,31 3.721,32 4.357,33 4.547,34 3.501,35 3.595,36 5.384,37 3.522,38 4.173,39 4.367,40 3.27,41 3.301,42 5.219,43 3.249,44 3.935,45 4.149,46 2.911,47 2.887,48 4.981,49 2.843,50 3.443,51 3.636,52 2.22,53 2.306,54 4.525,55 2.244,56 0.064,57 0.424,58 5.373,59 2.967,60 6.47,61 3.112,62 0.291,63 0.75,64 11.146,65 5.113,66 15.676,67 5.432,68 0.203,69 0.904,70 13.811,71 6.66,72 16.635,73 7.701,74 0.195,75 0.931,76 15.225,77 7.029,78 14.076,79 8.565,80 0.298,81 0.854,82 15.804,83 6.757,84 22.636,85 8.348,86 0.291,87 0.691,88 14.04,89 5.494,90 25.45,91 6.474,92 0.343,93 0.527,94 12.309,95 4.274,96 27.934,97 4.981,98 0.324,99 0.297,100 7.826,101 2.516,102 22.745,103 2.526,104 2,105 37,106 0.276,107 0.649,108 0.786,109 0.831,110 0.87,111 0.882,112 3.062,113 0.85,114 -3.34,115 -3.33,116 -3.19,121 50,123 1,127 1,128 1,144 4,145 4,146 3,147 1,148 1,176 7,179 1,180 2,185 2,187 8,189 4,192 4,197 2,200 8,203 4,206 3,211 2,214 7,216 1,219 2,221 1,224 2,226 1,227 5,232 2,234 1,237 1,239 1,244 4,247 1,256 1,259 1,281 354,282 13.911,283 13.911,284 13.911,285 13.911,286 13.911,287 12.109,288 15.307,289 7.878,290 14.19,291 11.908,292 11.908,293 11.908,294 11.908,295 11.908,296 8.922,297 16.199,298 3.792,299 12.378,300 3.493,301 1.457,302 0.711,303 0.461,304 0.25,305 0.188,306 3.782,310 1,311 1,312 1,313 305,314 2.121,317 47.224,318 72.491,321 116.333,322 80.78,323 47.036,325 1,326 16.638,328 1,329 1,330 0.83,331 1,332 0.4,333 0.5,334 1,335 1,336 0.82,337 43.5,338 130,339 4.803,340 3.439,341 7.002,342 4.324,343 3.347,344 4.874,345 1.392,346 11.993,347 3.274,348 4.321,349 3.266,350 6.349,351 3.902,352 2.943,353 4.049,354 0.532,355 9.73,356 2.824,357 3.861,358 2.691,359 5.976,360 3.463,361 2.493,362 3.339,364 8.374,365 2.404,366 3.746,367 2.559,368 5.45,369 3.304,370 2.357,371 3.231,373 7.057,374 2.226,375 3.392,376 2.129,377 5.129,378 2.929,379 1.955,380 2.774,382 5.981,383 1.898,384 3.031,385 1.961,386 4.81,387 2.652,388 1.689,389 2.207,391 5.152,392 1.62,393 2.83,394 1.893,395 4.517,396 2.436,397 1.494,398 1.941,400 4.436,401 1.399,402 2.213,403 1.681,404 3.813,405 2.101,406 1.104,407 1.193,409 2.462,410 1.1,411 2.073,412 1.101,413 3.481,414 1.879,415 0.913,416 1.024,418 2.411,419 0.878,420 1.777,421 0.718,422 3.421,423 1.448,424 0.499,425 0.615,427 1.397,428 0.47,429 1.316,430 0.126,431 2.947,432 0.88,433 -0.071,434 -0.095,436 -0.203,437 -0.067,438 1.012,439 -0.063,440 2.761,441 0.634,442 -0.336,443 -0.431,445 -0.952,446 -0.324,447 0.789,448 -0.354,449 2.594,450 0.368,451 -0.592,452 -0.785,454 -1.72,455 -0.562,456 0.545,457 -0.536,458 2.412,459 0.176,460 -0.805,461 -1.016,463 -2.207,464 -0.783,465 0.416,466 -0.783,467 2.123,468 0.001,469 -0.956,470 -1.301,472 -3.013,473 -0.913,474 9.4,475 0.47,476 0.551,477 0.028,478 28.5,479 1.425,480 14.5,481 0.725,482 14,483 0.7,484 13.301,485 0.665,486 20.3,487 0.634,488 17.8,489 0.89,490 5.477,491 0.274,492 4.315,493 0.216,494 0.035,496 0.468,501 0.901,502 1.102,503 0.664,504 0.927,505 0.907,506 0.78,507 0.991,508 0.872,509 0.795,510 0.75,511 0.624,512 0.723,513 0.804,514 1.071,515 0.971,516 1.03,517 0.85,518 1.034,519 0.697,520 1.104,521 0.974,522 1.108,523 0.671,524 1.099,525 0.774,526 1.083,527 1.016,528 1.157,529 1.07,530 1.15,531 1.173,532 1.061,533 1.07,534 1.106,535 1.391,536 1.078,537 1.393,538 0.92,539 1.097,540 0.992,541 1.308,542 0.979,543 2.085,544 0.776,545 1.575,546 0.869,547 1.452,548 1.072,549 4,551 2.222,552 1.604,553 1.549,554 0.587,555 0.389,556 0.149,557 0.041,559 3794,560 9609,561 2.319,562 37.5,564 6,565 2,566 1,567 1,569 2,572 1.624,573 2.222,574 2.759,575 -0.32,577 1,578 1,579 1,582 48.226,583 1.507,584 3.543,585 4.289,586 4.539,587 4.75,588 4.813,589 2.148,590 4.022,591 4.301,592 2.831,593 537.93,594 7.376,595 5141.25,596 1,597 1,598 1,599 1,600 160,601 1.234,602 4.277,603 0.167,605 0.06,606 0.045,607 0.048,608 0.023,609 0.02,610 0.012,611 0.008,613 0.384,614 0.83,615 0.88,616 0.432,617 84.592,618 -0.085,619 -0.096,620 0.058,621 -0.006,622 -0.123,623 0.043,624 -0.028,625 0.161,626 0.022,627 0.174,628 0.052,629 0.128,630 -0.094,631 -0.082,632 -0.134,633 -0.077,634 -0.097,635 -0.107,636 -0.033,637 -0.123,638 -0.081,639 -0.144,640 -0.021,641 -0.125,642 0.085,643 -0.129,644 -0.032,645 -0.179,646 -0.009,647 -0.147,648 -0.04,649 -0.116,650 -0.011,651 -0.129,652 -0.079,653 -0.079,654 0.024,655 0.014,656 0.082,657 -0.003,658 0.037,659 0.046,660 -0.164,661 0.117,662 -0.33,663 0.123,664 0.014,665 -0.09,666 1.342,667 3.953,668 0.95,669 10.17,670 1.014,671 1.107,672 2.114,673 4.468,674 0.705,675 3.219,676 3.638,677 4.025,678 4.431,679 4.736,680 4.97,681 5.209,682 5.451,683 5.561,684 5.642,685 4.12,686 0.689,687 266.29,688 3.219,689 4.812,690 5.727,691 6.666,692 7.596,693 8.54,694 9.476,695 10.42,696 11.359,697 12.304,698 3.1,708 1,714 4,715 5,720 4,721 1,722 16,738 1,739 2,741 32,743 16,744 2,745 24,747 36,748 16,749 13,750 8,751 4,756 5,757 18,767 1,770 1,772 13,773 3,789 1,790 1,793 12,794 3,795 1,796 4,802 1,803 1,808 0.2,809 3,822 1,828 2,829 3,832 3,833 2,834 1,859 1,868 20,875 1,876 3,878 2,893 9.4,895 1,898 2,901 9,902 5.95,903 4.083,904 2.008,907 3.548,908 1.446,909 1.086,910 1.972,911 11.509,912 3.497,913 4.256,914 5.005,915 5.76,916 6.471,917 7.016,918 7.567,919 8.121,920 8.575,921 8.875,922 1,923 36,924 7.401,926 3.383,927 0.026,929 7.642,931 14.366,933 12.871,936 2.142,937 42.833,938 0.001,941 129.482,942 81.778,943 1.899,945 64.683,948 81.778,949 194.165,950 1.899,952 11.29,953 37.905,954 56.354,955 54.583,956 23.542,957 94.169,959 129.482,960 83.677,961 64.683,964 105.94,965 88.225,968 22.482,969 59.296,970 1.899,972 129.482,973 66.582,974 81.778,977 129.482,978 34.826,979 48.852,981 64.683,982 129.482,983 66.582,984 81.778,986 0.604,987 0.366,988 0.219,989 0.121,990 24,991 9,994 5,995 1.474,996 3.245,997 179.324,998 0.526,999 18,1000 86.439,1005 10.886,1006 3.623,1007 1.4,1008 4.502,1009 64.683,1010 9.893,1015 3.106,1016 2.259,1017 42.683,1018 277.843,1019 32,1031 32.444,1032 35.41,1034 0.301,1035 0.709,1036 0.858,1037 0.908,1038 0.95,1039 0.963,1040 4.779,1041 1.104,1042 5.746,1043 4.436,1044 4.317,1045 4.942,1046 1.693,1047 6.653,1048 4.246,1049 6.04,1050 0.913,1051 7.354,1052 2.462,1053 4.007,1054 5.007,1056 7.673,1057 3.895,1058 7.402,1059 0.499,1060 9.059,1061 2.411,1062 5.999,1063 7.353,1064 2.158,1065 10.849,1066 5.869,1067 8.804,1068 -0.071,1069 10.821,1070 1.397,1071 6.509,1072 8.236,1074 12.705,1075 6.343,1076 10.237,1077 -0.336,1078 12.62,1079 -0.203,1080 7.981,1081 10.087,1082 2.745,1083 15.401,1084 7.8,1085 11.693,1086 -0.592,1087 14.444,1088 -0.952,1089 8.866,1090 11.344,1092 17.613,1093 8.655,1094 13.167,1095 -0.805,1096 16.289,1097 -1.72,1098 10.145,1099 13.012,1100 3.372,1101 20.152,1102 9.92,1103 3.347,1104 -0.956,1105 18.148,1106 -2.207,1107 11.2,1108 14.444,1110 22.516,1111 10.95,1112 2.943,1113 11.993,1114 20.02,1115 -3.013,1116 12.412,1117 16.045,1118 4.015,1119 25.005,1120 12.145,1121 2.493,1122 9.73,1123 21.902,1124 4.874,1125 13.542,1126 17.556,1128 27.433,1129 13.253,1130 2.357,1131 8.374,1132 23.792,1133 4.049,1134 14.735,1135 19.137,1136 4.667,1137 29.91,1138 14.428,1139 1.955,1140 7.057,1141 25.689,1142 3.339,1143 15.899,1144 20.684,1146 32.366,1147 15.572,1148 1.689,1149 5.981,1150 27.592,1151 3.231,1152 17.088,1153 22.259,1154 5.323,1155 34.841,1156 16.743,1157 1.494,1158 5.152,1159 29.501,1160 2.774,1161 18.269,1162 23.823,1164 37.31,1165 17.904,1166 3410,1167 5518,1168 16.819,1169 22.557,1170 37.43,1171 38.39,1172 38.231,1173 37.629,1174 37.589,1175 50.492,1176 3.846,1177 117.985,1178 36.185,1179 5.628,1180 5.439,1181 6.501,1182 5.374,1183 5.347,1184 7.874,1185 2.783,1186 19.582,1187 5.274,1188 5.254,1189 1.56,1190 1.6,1191 1.593,1192 1.568,1193 1.566,1194 2.104,1195 0.16,1196 4.916,1197 1.508,1198 4.236,1199 4.259,1200 4.207,1201 4.164,1202 6.471,1203 4.171,1204 3.841,1205 3.852,1206 3.796,1207 3.735,1208 5.057,1209 3.745,1210 3.483,1211 3.526,1212 3.404,1213 3.328,1214 4.786,1215 3.336,1216 3.379,1217 3.402,1218 3.286,1219 3.181,1220 4.247,1221 3.206,1222 2.959,1223 3,1224 2.866,1225 2.842,1226 4.092,1227 2.84,1228 2.9,1229 2.967,1230 2.741,1231 2.7,1232 3.923,1233 2.702,1234 2.623,1235 2.681,1236 2.464,1237 2.434,1238 3.594,1239 2.423,1240 2.522,1241 2.592,1242 2.35,1243 2.327,1244 3.443,1245 2.325,1246 0.2,1247 0.143,1248 0.292,1249 0.18,1250 0.139,1251 4.803,1252 0.203,1253 3.439,1254 0.058,1255 7.002,1256 0.5,1257 4.324,1258 0.136,1259 3.347,1260 4.874,1261 1.392,1262 11.993,1263 3.274,1264 2.131,1265 2.116,1266 2.174,1267 2.204,1268 1.389,1269 2.196,1270 1.739,1271 1.72,1272 1.867,1273 1.839,1274 1.134,1275 1.847,1276 1.493,1277 1.436,1278 1.674,1279 1.687,1280 0.874,1281 1.685,1282 1.19,1283 1.156,1284 1.443,1285 1.521,1286 0.581,1287 1.488,1288 1.116,1289 1.076,1290 1.327,1291 1.34,1292 0.456,1293 1.338,1294 0.922,1295 0.89,1296 1.113,1297 1.083,1298 0.243,1299 1.092,1300 0.803,1301 0.763,1302 1.04,1303 0.987,1304 0.177,1305 1,1306 0.465,1307 0.408,1308 0.802,1309 0.743,1311 0.754,1312 3.892,1314 5.283,1315 3.045,1316 6.874,1317 5.352,1318 8.568,1319 7.424,1320 10.321,1327 9.953,1328 2.202,1330 10.918,1340 22.063,1341 48.226,1342 113.371,1343 137.245,1344 145.245,1345 152,1346 154,1347 20.623,1348 7.961,1349 42.57,1350 42.57,1351 28,1352 12.797,1353 4.087,1354 3.17,1355 23.554,1356 52,1357 41,1358 0.243,1359 127.036,1360 211.07,1361 301.728,1362 29347,1364 13.267,1365 0.663,1366 0.539,1367 13.267,1368 10.772,1369 9.793,1370 0.408,1371 0.283,1372 6.691,1373 9.377,1374 6.594,1375 5.359,1376 9.793,1377 6.803,1378 9.497,1379 0.257,1380 0.148,1381 9.497,1382 5.49,1383 8.629,1384 0.157,1385 0.079,1386 8.629,1387 4.354,1388 8.166,1389 0.098,1390 0.042,1391 8.166,1392 3.511,1393 6.892,1394 0.061,1395 0.022,1396 6.892,1397 2.528,1398 0.356,1399 61.726,1400 0.244,1401 18.984,1402 0.754,1403 122,1404 331.954,1405 133.825,1406 314.731,1407 446.51,1408 298,1409 153,1410 344.475,1411 165.411,1412 347.408,1413 522.1,1414 328,1415 5.415}
{0 CHEMBL481,1 1.532,2 16.256,3 3.686,4 13.587,5 161.329,6 7.244,7 0.224,8 4.505,9 4.615,10 4.055,11 4.021,12 5.524,13 4.007,14 5.126,15 5.299,16 4.497,17 4.483,18 6.155,19 4.45,20 5.44,21 5.641,22 4.669,23 4.699,24 6.491,25 4.649,26 5.556,27 5.753,28 4.64,29 4.732,30 6.649,31 4.67,32 5.553,33 5.775,34 4.555,35 4.698,36 6.596,37 4.609,38 5.502,39 5.744,40 4.489,41 4.622,42 6.526,43 4.529,44 5.368,45 5.599,46 4.38,47 4.499,48 6.416,49 4.415,50 5.254,51 5.462,52 4.32,53 4.399,54 6.333,55 4.339,56 0.053,57 1.183,58 17.498,59 7.852,60 11.354,61 10.202,62 0.625,63 2.047,64 36.107,65 13.391,66 50.335,67 18.459,68 0.68,69 2.632,70 51.286,71 18.601,72 80.854,73 25.635,74 1.031,75 2.781,76 59.442,77 20.263,78 125.859,79 27.021,80 1.014,81 2.736,82 60.12,83 20.793,84 132.191,85 28.713,86 0.961,87 2.624,88 57.629,89 19.157,90 109.895,91 27.44,92 0.838,93 2.271,94 50.222,95 16.97,96 93.774,97 23.645,98 0.614,99 1.999,100 44.354,101 15.14,102 86.509,103 20.271,104 41,105 74,106 0.232,107 0.561,108 0.77,109 0.848,110 0.848,111 0.848,112 3.788,113 0.958,114 -4.04,115 -3.99,116 -3.78,121 40.7,122 2,123 7,127 6,129 1,132 1,137 1,138 2,140 1,144 3,145 3,146 1,148 2,160 2,161 1,176 11,179 5,180 16,185 2,187 11,191 1,192 14,195 2,197 3,200 11,205 3,206 20,214 13,218 2,219 14,222 2,227 10,231 4,232 12,235 1,237 1,239 14,243 5,244 11,249 1,251 12,256 13,261 3,264 7,268 3,269 14,274 3,277 10,281 3821,282 29.374,283 29.374,284 29.374,285 29.374,286 29.374,287 27.41,288 42.132,289 16.495,290 29.954,291 23.974,292 23.974,293 23.974,294 23.974,295 23.974,296 20.49,297 59.815,298 7.59,299 24.906,300 4.807,301 2.636,302 1.25,303 0.735,304 0.735,305 0.735,306 4.508,312 1,313 1572,314 4.062,317 60.427,318 601.607,321 224.927,322 284.802,325 2.646,326 60.003,329 0.75,330 0.5,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.83,337 94,338 699,339 4.829,340 4.302,341 7.855,342 4.596,343 3.623,344 4.618,345 2.613,346 14.505,347 3.516,348 4.679,349 3.799,350 7.039,351 4.323,352 3.349,353 4.17,354 2.208,355 12.092,356 3.264,357 4.299,358 3.787,359 6.645,360 3.97,361 2.997,362 3.719,363 1.23,364 10.571,365 2.914,366 4.037,367 3.37,368 6.222,369 3.854,370 2.911,371 3.324,372 1.142,373 9.129,374 2.737,375 3.934,376 3.098,377 6.168,378 3.664,379 2.725,380 3.167,381 0.8,382 9.018,383 2.585,384 3.798,385 3.034,386 6.011,387 3.554,388 2.571,389 3.008,390 0.671,391 8.563,392 2.479,393 3.646,394 2.898,395 5.73,396 3.272,397 2.3,398 2.87,399 0.655,400 7.46,401 2.234,402 3.483,403 2.607,404 5.568,405 3.087,406 2.14,407 2.745,408 0.521,409 6.721,410 2.017,411 3.329,412 2.441,413 5.241,414 2.928,415 1.948,416 2.441,417 0.13,418 6.503,419 1.896,420 3.111,421 2.366,422 5.116,423 2.853,424 1.871,425 2.263,427 5.443,428 1.834,429 2.944,430 2.26,431 4.726,432 2.744,433 1.809,434 1.946,436 4.686,437 1.68,438 2.92,439 1.877,440 4.52,441 2.524,442 1.549,443 1.918,445 4.505,446 1.494,447 2.56,448 1.823,449 4.243,450 2.349,451 1.373,452 1.539,454 3.362,455 1.326,456 2.514,457 1.709,458 4.033,459 2.108,460 1.118,461 1.484,463 3.14,464 1.104,465 2.197,466 1.479,467 3.839,468 1.992,469 1.024,470 1.097,472 2.576,473 0.986,474 20.1,475 0.467,476 1.199,477 0.028,478 47.25,479 1.099,480 18,481 0.419,482 29.25,483 0.68,484 51.929,485 1.208,486 47.7,487 0.589,488 42.729,489 0.994,490 8.433,491 0.196,492 12.384,493 0.288,494 0.116,495 0.025,496 0.383,501 0.745,502 1.426,503 0.781,504 1.185,505 0.599,506 1.02,507 0.681,508 1.093,509 0.805,510 0.952,511 0.493,512 0.898,513 0.814,514 1.062,515 0.829,516 1,517 0.671,518 0.92,519 1.309,520 1.029,521 1.113,522 1.028,523 1.333,524 1.033,525 1.023,526 1.041,527 1.001,528 1.015,529 1.035,530 1.011,531 0.839,532 0.979,533 0.918,534 0.959,535 0.761,536 0.948,537 0.98,538 0.923,539 0.957,540 0.961,541 0.983,542 0.953,543 1.315,544 1.041,545 1.017,546 1.021,547 1.448,548 0.975,549 9,550 0.283,551 6.889,552 3.951,553 3.653,554 2.254,555 1.385,556 1.049,557 0.703,558 0.428,559 34804,560 80101,561 2.146,562 46.9,563 10,564 17,567 1,569 6,570 4,572 1.814,573 1.992,574 3.916,575 -0.392,582 124.132,583 1.532,584 3.704,585 5.089,586 5.605,587 5.605,588 5.605,589 3.415,590 5.147,591 5.392,592 4.135,593 3733.7,594 9.527,595 67157.1,600 513.528,601 1.567,602 5.349,603 0.184,604 0.006,605 0.093,606 0.046,607 0.046,608 0.031,609 0.02,610 0.017,611 0.012,612 0.008,613 0.463,614 0.33,615 0.63,616 0.729,617 248.09,618 -0.031,619 -0.199,620 0.07,621 -0.055,622 -0.03,623 0.01,624 0.159,625 0.059,626 0.117,627 0.082,628 0.111,629 0.092,630 0.066,631 0.007,632 0.121,633 0.018,634 0.114,635 0.075,636 -0.125,637 -0.006,638 -0.118,639 -0.035,640 -0.098,641 -0.068,642 -0.008,643 -0.056,644 -0.014,645 -0.018,646 0.002,647 -0.022,648 0.069,649 0.019,650 0.068,651 0.012,652 0.09,653 0.037,654 0.018,655 0.073,656 0.035,657 0.017,658 0.002,659 0.028,660 -0.142,661 -0.057,662 -0.014,663 -0.027,664 -0.125,665 0.001,666 3.114,667 6.581,668 0.767,669 59.605,670 1.005,671 1.127,672 2.813,673 7.914,674 0.651,675 3.912,676 4.317,677 4.7,678 5.017,679 5.342,680 5.565,681 5.826,682 6.061,683 6.273,684 6.46,685 9.23,686 0.621,687 586.75,688 3.912,689 5.509,690 6.418,691 7.344,692 8.27,693 9.203,694 10.137,695 11.075,696 12.015,697 12.957,698 4.9,701 1,705 2,708 1,714 2,715 3,716 1,720 4,722 11,737 1,741 81,743 16,744 1,745 49,747 87,748 33,749 9,750 3,751 3,752 5,756 7,757 17,763 2,767 6,768 1,770 8,772 16,773 17,774 1,777 5,782 3,784 1,786 6,793 38,794 10,795 1,796 10,802 4,808 0.429,809 6,812 1,822 1,828 1,829 6,832 2,833 2,844 1,846 1,849 2,850 2,855 1,857 1,859 3,864 2,868 43,875 1,876 13,878 2,880 1,881 3,882 1,893 7.4,894 1,896 3,898 2,901 21.583,902 15.25,903 9.264,904 5.707,907 3.223,908 1.319,909 0.973,910 7.414,911 13.324,912 4.103,913 4.696,914 5.313,915 5.896,916 6.512,917 6.977,918 7.492,919 8.008,920 8.486,921 8.882,922 0.909,923 86,924 16.25,926 7.451,927 0.026,929 7.758,931 31.223,933 27.527,936 2.258,937 97.083,941 435.531,942 135.293,943 26.158,945 140.118,948 135.293,949 575.649,950 26.158,951 17.65,952 39.111,953 80.588,954 106.873,955 50.584,956 6.763,957 435.531,959 435.531,960 161.451,961 140.118,964 317.82,965 215.146,966 42.683,968 64.787,969 67.646,970 29.019,972 435.531,973 166.276,974 135.293,977 435.531,978 79.737,979 64.928,981 156.903,982 435.531,983 166.276,984 135.293,986 0.598,987 0.378,988 0.205,989 0.113,990 40,991 18,992 0.057,993 5,994 4,995 1.242,996 5.053,997 484.539,998 0.242,999 33,1000 223.329,1005 28.667,1006 11.121,1007 4.726,1008 1.603,1009 166.276,1010 5.484,1011 4.938,1015 3.089,1017 42.683,1018 737.1,1019 59.5,1024 39.198,1026 1.732,1028 -0.155,1031 81.392,1032 91.308,1034 0.242,1035 0.584,1036 0.803,1037 0.884,1038 0.884,1039 0.884,1040 5.424,1041 2.14,1042 6.454,1043 7.46,1044 5.004,1045 5.384,1046 3.368,1047 7.386,1048 4.931,1049 6.644,1050 1.948,1051 8.096,1052 6.721,1053 4.796,1054 5.373,1055 2.886,1056 8.646,1057 4.685,1058 7.994,1059 1.871,1060 9.847,1061 6.503,1062 6.744,1063 7.582,1064 4.616,1065 11.787,1066 6.601,1067 9.38,1068 1.809,1069 11.666,1070 5.443,1071 7.372,1072 8.393,1073 4.946,1074 13.9,1075 7.198,1076 10.803,1077 1.549,1078 13.53,1079 4.686,1080 8.826,1081 10.138,1082 6.23,1083 16.645,1084 8.622,1085 12.25,1086 1.373,1087 15.427,1088 4.505,1089 9.81,1090 11.314,1091 6.891,1092 19.089,1093 9.579,1094 13.717,1095 1.118,1096 17.349,1097 3.362,1098 11.105,1099 12.899,1100 7.986,1101 21.744,1102 10.845,1103 3.623,1104 1.024,1105 19.292,1106 3.14,1107 12.24,1108 14.246,1109 8.795,1110 24.316,1111 11.955,1112 3.349,1113 14.505,1114 21.252,1115 2.576,1116 13.491,1117 15.774,1118 9.808,1119 26.959,1120 13.177,1121 2.997,1122 12.092,1123 23.227,1124 4.618,1125 14.692,1126 17.204,1127 10.688,1128 29.582,1129 14.352,1130 2.911,1131 10.571,1132 25.213,1133 4.17,1134 15.936,1135 18.714,1136 11.665,1137 32.231,1138 15.569,1139 2.725,1140 9.129,1141 27.21,1142 3.719,1143 17.167,1144 20.185,1145 12.581,1146 34.877,1147 16.774,1148 2.571,1149 9.018,1150 29.217,1151 3.324,1152 18.416,1153 21.692,1154 13.544,1155 37.533,1156 17.995,1157 2.3,1158 8.563,1159 31.23,1160 3.167,1161 19.663,1162 23.184,1163 14.479,1164 40.19,1165 19.215,1166 31656,1167 48468,1168 32.827,1169 52.694,1170 76.175,1171 78.789,1172 79.369,1173 75.325,1174 75.226,1175 89.787,1176 19.941,1177 235.846,1178 72.555,1179 5.829,1180 6.302,1181 7.656,1182 5.69,1183 5.623,1184 7.618,1185 4.407,1186 22.902,1187 5.516,1188 22.227,1189 1.555,1190 1.608,1191 1.62,1192 1.537,1193 1.535,1194 1.832,1195 0.407,1196 4.813,1197 1.481,1198 4.159,1199 4.183,1200 4.13,1201 4.079,1202 7.437,1203 4.088,1204 3.946,1205 3.996,1206 3.912,1207 3.845,1208 7.431,1209 3.858,1210 3.932,1211 3.957,1212 3.822,1213 3.772,1214 7.426,1215 3.774,1216 3.738,1217 3.797,1218 3.644,1219 3.576,1220 6.441,1221 3.579,1222 3.673,1223 3.707,1224 3.579,1225 3.546,1226 4.992,1227 3.545,1228 3.503,1229 3.563,1230 3.388,1231 3.357,1232 4.616,1233 3.352,1234 3.381,1235 3.445,1236 3.242,1237 3.214,1238 4.485,1239 3.205,1240 3.321,1241 3.352,1242 3.212,1243 3.047,1244 4.382,1245 3.097,1246 0.099,1247 0.088,1248 0.16,1249 0.094,1250 0.074,1251 4.829,1252 0.094,1253 4.302,1254 0.053,1255 7.855,1256 0.296,1257 4.596,1258 0.072,1259 3.623,1260 4.618,1261 2.613,1262 14.505,1263 3.516,1264 2.051,1265 2.034,1266 2.115,1267 2.13,1268 1.468,1269 2.125,1270 1.9,1271 1.887,1272 2.091,1273 2.074,1274 1.33,1275 2.083,1276 1.887,1277 1.826,1278 1.991,1279 2.04,1280 1.317,1281 2.02,1282 1.72,1283 1.658,1284 1.958,1285 1.913,1286 1.248,1287 1.929,1288 1.581,1289 1.543,1290 1.804,1291 1.749,1292 0.971,1293 1.762,1294 1.529,1295 1.48,1296 1.768,1297 1.713,1298 0.942,1299 1.734,1300 1.364,1301 1.302,1302 1.592,1303 1.56,1304 0.825,1305 1.569,1306 1.256,1307 1.199,1308 1.513,1309 1.531,1310 0.825,1311 1.511,1312 4.595,1314 5.979,1315 2.398,1316 7.577,1317 4.844,1318 9.272,1319 7.081,1320 11.019,1322 3.748,1327 11.156,1328 10.489,1330 11.065,1332 0.552,1333 6.049,1334 -1.864,1340 50.33,1341 124.132,1342 300.043,1343 412.244,1344 454.018,1345 454.018,1346 454.018,1347 97.678,1348 10.102,1349 114.2,1350 114.2,1351 41,1352 13.452,1353 4.087,1354 3.524,1355 58.529,1356 239,1357 278,1358 0.119,1359 297.445,1360 541.48,1361 717.525,1362 437570,1364 29.88,1365 0.695,1366 0.578,1367 29.88,1368 24.856,1369 20.817,1370 0.425,1371 0.319,1372 15.437,1373 19.974,1374 15.126,1375 12.382,1376 20.817,1377 15.655,1378 19.291,1379 0.261,1380 0.165,1381 19.291,1382 12.236,1383 18.201,1384 0.167,1385 0.091,1386 18.201,1387 9.966,1388 15.389,1389 0.103,1390 0.05,1391 15.389,1392 7.471,1393 13.074,1394 0.063,1395 0.026,1396 13.074,1397 5.472,1398 0.191,1399 130.955,1400 0.175,1401 38.138,1402 0.319,1403 246,1404 693.408,1405 273.234,1406 652.752,1407 901.39,1408 612,1409 306,1410 676.286,1411 335.347,1412 674.656,1413 1020.6,1414 638,1415 5.738}
{0 CHEMBL481657,1 1.419,2 6.944,3 2.03,4 4.12,5 66.414,6 7.696,7 0.3,8 3.596,9 3.674,10 3.186,11 3.129,12 4.733,13 3.131,14 4.153,15 4.274,16 3.647,17 3.538,18 5.34,19 3.543,20 4.469,21 4.6,22 3.706,23 3.704,24 5.673,25 3.684,26 4.549,27 4.767,28 3.417,29 3.642,30 5.59,31 3.537,32 4.299,33 4.552,34 3.202,35 3.397,36 5.261,37 3.283,38 4.02,39 4.22,40 3.029,41 3.073,42 5.179,43 3.01,44 3.809,45 4.017,46 2.704,47 2.805,48 4.929,49 2.739,50 3.437,51 3.614,52 2.324,53 2.507,54 4.725,55 2.418,56 0.07,57 0.403,58 6.281,59 3.323,60 11.412,61 3.739,62 0.24,63 0.676,64 12.415,65 5.6,66 31.48,67 6.603,68 0.513,69 0.879,70 18.503,71 7.199,72 48.825,73 8.13,74 0.579,75 0.944,76 22.504,77 8.025,78 60.671,79 10.324,80 0.251,81 0.755,82 17.484,83 6.56,84 34.609,85 9.052,86 0.333,87 0.542,88 12.923,89 4.56,90 35.908,91 5.789,92 0.389,93 0.418,94 11.16,95 3.483,96 36.345,97 4.296,98 0.142,99 0.301,100 6.81,101 2.513,102 22.5,103 3.061,104 17,105 31,106 0.268,107 0.683,108 0.807,109 0.831,110 0.831,111 0.831,112 2.963,113 0.884,114 -3.14,115 -3.13,116 -3.01,121 43.8,122 2,123 1,129 1,132 1,137 2,144 2,145 2,146 2,160 1,176 5,179 1,180 8,185 1,187 7,192 5,195 1,197 3,200 8,205 1,206 4,211 1,214 7,219 3,224 2,227 3,231 1,232 4,237 1,239 2,244 1,247 1,249 1,251 2,256 2,264 2,272 1,281 264,282 11.574,283 11.574,284 11.574,285 11.574,286 11.574,287 10.589,288 14.399,289 6.43,290 11.812,291 9.864,292 9.864,293 9.864,294 9.864,295 9.864,296 8.187,297 18.36,298 3.087,299 10.287,300 3.581,301 1.392,302 0.735,303 0.61,304 0.61,305 0.61,306 3.633,311 1,312 1,313 269,314 2.449,318 96.406,322 105.457,325 1.068,326 24.154,328 1,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 40,338 125,339 4.528,340 3.732,341 7.282,342 4.363,343 3.418,344 4.126,345 1.674,346 12.36,347 3.223,348 4.272,349 3.618,350 6.345,351 3.96,352 2.989,353 3.456,354 0.86,355 9.766,356 2.896,357 3.817,358 3.039,359 5.871,360 3.465,361 2.493,362 3.096,364 8.099,365 2.412,366 3.438,367 2.586,368 4.999,369 3.049,370 2.046,371 2.665,373 5.829,374 2.032,375 3.175,376 2.278,377 4.914,378 2.832,379 1.882,380 2.366,382 5.505,383 1.779,384 2.713,385 1.805,386 4.488,387 2.446,388 1.511,389 1.685,391 4.264,392 1.398,393 2.357,394 1.267,395 3.753,396 1.879,397 0.926,398 1.195,400 2.458,401 0.873,402 1.601,403 0.907,404 3.143,405 1.166,406 0.192,407 0.251,409 0.485,410 0.183,411 1.082,412 0.427,413 2.952,414 0.753,415 -0.171,416 -0.2,418 -0.507,419 -0.156,420 0.824,421 0.068,422 2.666,423 0.501,424 -0.487,425 -0.608,427 -1.244,428 -0.467,429 0.466,430 -0.424,431 2.343,432 0.215,433 -0.722,434 -0.809,436 -2.314,437 -0.673,438 0.342,439 -0.555,440 2.324,442 -1,443 -1,445 -2.699,446 -0.963,447 0.102,448 -0.924,449 2,450 -0.027,451 -1,452 -1.288,454 -3,455 -1,457 -1,458 1.848,459 -0.192,460 -1.199,461 -1.437,463 -3.596,464 -1.181,465 -0.314,466 -1.006,467 1.648,468 -0.522,469 -1.458,470 -1.55,472 -4.384,473 -1.371,474 8.333,475 0.463,476 0.718,477 0.04,478 21.5,479 1.194,480 10,481 0.556,482 11.5,483 0.639,484 14.636,485 0.813,486 19.867,487 0.621,488 14.028,489 0.779,490 4.047,491 0.225,492 4.408,493 0.245,494 0.2,495 0.06,496 0.36,501 0.813,502 1.102,503 0.743,504 1.073,505 0.777,506 0.924,507 0.771,508 1.052,509 0.654,510 1.017,511 0.585,512 0.844,513 1.317,514 1.07,515 1.167,516 1.063,517 0.941,518 1.074,519 0.971,520 0.919,521 1.086,522 0.939,523 0.958,524 1.023,525 0.562,526 1.011,527 0.758,528 1.011,529 0.644,530 0.95,531 0.981,532 1.114,533 1.011,534 1.11,535 0.894,536 1.076,537 1.342,538 0.749,539 1.157,540 0.76,541 1.025,542 0.882,543 1.233,544 1.424,545 1.389,546 1.435,547 1.916,548 1.449,549 6,551 2.889,552 1.375,553 1.733,554 0.5,555 0.524,556 0.219,557 0.106,559 2528,560 7439,561 2.04,562 43.8,564 5,567 1,569 8,572 1.589,573 1.846,574 2.833,575 -0.28,577 1,578 1,579 1,582 45.394,583 1.419,584 3.608,585 4.265,586 4.39,587 4.39,588 4.39,589 2.261,590 3.614,591 4.146,592 2.886,593 441.583,594 7.046,595 3974.15,597 1,599 1,600 160,601 1.772,602 4.059,603 0.3,605 0.093,606 0.044,607 0.079,608 0.028,609 0.037,610 0.022,611 0.018,613 0.621,614 0.83,615 1,616 0.714,617 74.185,618 -0.068,619 -0.007,620 0.036,621 0.004,622 -0.131,623 0.039,624 0.1,625 -0.011,626 0.215,627 0.013,628 0.114,629 0.119,630 -0.161,631 -0.068,632 -0.231,633 -0.084,634 -0.07,635 -0.158,636 -0.057,637 0.03,638 -0.099,639 0.019,640 -0.086,641 -0.038,642 0.076,643 -0.068,644 0.212,645 -0.039,646 0.059,647 0.092,648 0.046,649 -0.171,650 -0.009,651 -0.166,652 0.036,653 -0.114,654 -0.087,655 0.174,656 -0.091,657 0.157,658 -0.036,659 0.055,660 -0.19,661 -0.473,662 -0.42,663 -0.489,664 -0.242,665 -0.51,666 2.044,667 4.183,668 0.778,669 9.926,670 1.015,671 1.117,672 1.908,673 3.642,674 0.661,675 3.045,676 3.466,677 3.714,678 3.97,679 4.317,680 4.394,681 4.511,682 4.673,683 4.691,684 4.489,685 4.188,686 0.642,687 246.28,688 3.045,689 4.635,690 5.501,691 6.418,692 7.309,693 8.223,694 9.122,695 10.036,696 10.939,697 11.852,715 2,720 4,722 6,739 1,741 32,743 8,744 1,745 20,747 34,748 14,749 6,750 4,751 2,752 3,756 3,757 6,763 2,767 2,768 1,770 2,772 9,773 5,774 1,777 2,782 1,784 2,786 1,790 1,793 14,794 4,795 1,796 4,808 0.333,809 4,811 1,829 3,833 2,846 1,849 2,857 1,859 1,864 2,868 18,875 1,876 1,878 2,880 1,882 1,893 12.5,894 1,896 1,898 2,901 9.75,902 6.367,903 3.681,904 1.886,907 1.744,908 1.258,909 0.907,910 2.42,911 8.499,912 3.258,913 3.861,914 4.373,915 4.912,916 5.53,917 5.833,918 6.161,919 6.527,920 6.692,921 6.524,922 0.8,923 31,924 6.688,926 2.991,927 0.026,929 7.968,931 12.548,933 10.732,936 2.468,937 44.417,938 0.001,941 153.024,942 82.139,945 89.828,948 82.139,949 242.852,951 17.65,952 2.535,953 80.588,954 32.336,955 38.858,957 153.024,959 153.024,960 82.139,961 89.828,964 58.856,965 141.314,966 42.683,968 20.185,969 43.002,970 18.952,972 153.024,973 89.828,974 82.139,977 153.024,978 26.584,979 55.555,981 89.828,982 153.024,983 89.828,984 82.139,986 0.617,987 0.351,988 0.171,989 0.107,990 18,991 8,994 2,995 1.286,996 2.918,997 138.262,998 0.286,999 14,1000 73.059,1005 11.601,1006 3.755,1007 1.921,1009 89.828,1010 3.617,1015 2.951,1017 42.683,1018 324.992,1019 25,1024 11.183,1026 3.104,1028 -0.377,1031 32.494,1032 35.744,1034 0.284,1035 0.722,1036 0.853,1037 0.878,1038 0.878,1039 0.878,1040 4.57,1041 0.192,1042 5.58,1043 2.458,1044 4.143,1045 4.543,1046 2.09,1047 6.485,1048 4.058,1049 5.821,1050 -0.171,1051 7.215,1052 0.485,1053 4.111,1054 4.575,1056 7.766,1057 3.981,1058 7.173,1059 -0.487,1060 8.957,1061 -0.507,1062 5.905,1063 6.708,1064 2.88,1065 10.781,1066 5.73,1067 8.551,1068 -0.722,1069 10.762,1070 -1.244,1071 6.594,1072 7.43,1074 12.817,1075 6.36,1076 9.955,1077 -1,1078 12.606,1079 -2.314,1080 7.987,1081 9.151,1082 3.826,1083 15.458,1084 7.708,1085 11.377,1086 -1,1087 14.479,1088 -2.699,1089 8.978,1090 10.194,1092 17.78,1093 8.633,1094 12.812,1095 -1.199,1096 16.373,1097 -3,1098 10.238,1099 11.746,1100 4.83,1101 20.316,1102 9.845,1103 3.418,1104 -1.458,1105 18.283,1106 -3.596,1107 11.356,1108 12.958,1110 22.749,1111 10.896,1112 2.989,1113 12.36,1114 20.205,1115 -4.384,1116 12.575,1117 14.433,1118 5.852,1119 25.259,1120 12.062,1121 2.493,1122 9.766,1123 22.139,1124 4.126,1125 13.746,1126 15.736,1128 27.736,1129 13.168,1130 2.046,1131 8.099,1132 24.08,1133 3.456,1134 14.956,1135 17.176,1136 6.88,1137 30.241,1138 14.321,1139 1.882,1140 5.829,1141 26.028,1142 3.096,1143 16.151,1144 18.528,1146 32.736,1147 15.452,1148 1.511,1149 5.505,1150 27.982,1151 2.665,1152 17.361,1153 19.952,1154 7.91,1155 35.243,1156 16.602,1157 0.926,1158 4.264,1159 29.941,1160 2.366,1161 18.567,1162 21.332,1164 37.747,1165 17.746,1166 2518,1167 4410,1168 12.83,1169 21.148,1170 31.804,1171 32.674,1172 31.992,1173 30.957,1174 30.915,1175 37.677,1176 5.069,1177 97.534,1178 29.59,1179 5.473,1180 5.732,1181 6.585,1182 5.462,1183 5.418,1184 7.126,1185 3.349,1186 19.842,1187 5.223,1188 9.747,1189 1.59,1190 1.634,1191 1.6,1192 1.548,1193 1.546,1194 1.884,1195 0.253,1196 4.877,1197 1.48,1198 4.037,1199 4.047,1200 3.994,1201 3.95,1202 7.434,1203 3.957,1204 3.738,1205 3.761,1206 3.659,1207 3.594,1208 6.449,1209 3.602,1210 3.431,1211 3.464,1212 3.342,1213 3.305,1214 4.893,1215 3.306,1216 3.175,1217 3.229,1218 3.016,1219 2.999,1220 4.534,1221 2.992,1222 2.95,1223 3.009,1224 2.856,1225 2.732,1226 4.061,1227 2.756,1228 2.874,1229 2.968,1230 2.591,1231 2.618,1232 4.017,1233 2.57,1234 2.682,1235 2.704,1236 2.499,1237 2.433,1238 3.703,1239 2.462,1240 2.579,1241 2.6,1242 2.446,1243 2.299,1244 3.467,1245 2.342,1246 0.226,1247 0.187,1248 0.364,1249 0.218,1250 0.171,1251 4.528,1252 0.206,1253 3.732,1254 0.084,1255 7.282,1256 0.618,1257 4.363,1258 0.161,1259 3.418,1260 4.126,1261 1.674,1262 12.36,1263 3.223,1264 1.982,1265 1.97,1266 2.075,1267 2.092,1268 1.322,1269 2.084,1270 1.696,1271 1.667,1272 1.877,1273 1.867,1274 1.052,1275 1.865,1276 1.408,1277 1.372,1278 1.62,1279 1.574,1280 0.765,1281 1.589,1282 1.156,1283 1.1,1284 1.417,1285 1.382,1286 0.517,1287 1.389,1288 0.934,1289 0.833,1290 1.41,1291 1.239,1292 0.469,1293 1.308,1294 0.86,1295 0.804,1296 1.088,1297 1.116,1298 0.144,1299 1.096,1300 0.558,1301 0.536,1302 0.86,1303 0.918,1305 0.891,1306 0.452,1307 0.435,1308 0.684,1309 0.782,1311 0.764,1312 3.714,1314 5.106,1316 6.696,1318 8.378,1320 10.106,1322 3.679,1327 10.001,1328 0.539,1330 10.892,1332 -0.543,1334 -0.629,1340 20.547,1341 45.394,1342 115.471,1343 136.49,1344 140.49,1345 140.49,1346 140.49,1347 30.972,1348 6.755,1349 59.67,1350 59.67,1351 18,1352 12.367,1353 3.17,1354 2.585,1355 25.67,1356 48,1357 40,1358 0.295,1359 124.231,1360 224.74,1361 294.884,1362 6378,1364 12.914,1365 0.717,1366 0.57,1367 12.914,1368 10.266,1369 8.454,1370 0.423,1371 0.295,1372 5.808,1373 8.075,1374 5.605,1375 4.614,1376 8.454,1377 5.895,1378 8.759,1379 0.283,1380 0.167,1381 8.759,1382 5.178,1383 7.058,1384 0.176,1385 0.085,1386 7.058,1387 3.391,1388 5.512,1389 0.106,1390 0.042,1391 5.512,1392 2.204,1393 5.024,1394 0.068,1395 0.023,1396 5.024,1397 1.694,1398 0.438,1399 53.459,1400 0.279,1401 17.479,1402 0.885,1403 102,1404 323.356,1405 115.507,1406 300.572,1407 407.26,1408 280,1409 122,1410 302.455,1411 134.735,1412 300.041,1413 443.49,1414 282,1415 4.553}
{0 CHEMBL482512,1 1.319,2 15.947,3 7.55,4 57.001,5 162.306,6 6.729,7 0.512,8 4.424,9 4.556,10 3.952,11 4.047,12 5.311,13 3.967,14 5.017,15 5.209,16 4.296,17 4.481,18 5.828,19 4.36,20 5.329,21 5.585,22 4.429,23 4.636,24 6.071,25 4.483,26 5.305,27 5.551,28 4.407,29 4.621,30 6.061,31 4.456,32 5.284,33 5.517,34 4.271,35 4.627,36 6.003,37 4.448,38 5.366,39 5.621,40 4.1,41 4.621,42 6.023,43 4.412,44 5.415,45 5.715,46 3.925,47 4.521,48 6.002,49 4.279,50 5.282,51 5.605,52 3.777,53 4.311,54 5.86,55 4.07,56 0.091,57 1.119,58 18.904,59 7.982,60 10.664,61 11.101,62 0.197,63 1.942,64 36.589,65 14.489,66 21.363,67 19.989,68 0.32,69 2.532,70 51.811,71 19.3,72 34.191,73 26.752,74 0.412,75 2.541,76 54.381,77 18.754,78 36.876,79 25.678,80 0.333,81 2.439,82 51.644,83 19.607,84 30.144,85 26.344,86 0.274,87 2.516,88 52.581,89 21.248,90 29.546,91 29.334,92 0.293,93 2.513,94 53.842,95 21.503,96 32.66,97 30.407,98 0.329,99 2.194,100 48.23,101 18.065,102 32.208,103 25.716,105 58,106 0.201,107 0.49,108 0.66,109 0.787,110 0.857,111 0.889,112 3.667,113 1.099,114 -6.01,115 -5.86,116 -5.46,121 42.3,123 11,127 4,144 8,145 4,146 2,148 4,176 17,180 8,185 5,187 21,192 8,197 4,200 14,206 5,209 1,211 5,214 21,223 1,224 2,227 25,232 2,237 2,239 23,244 1,249 5,251 13,259 1,261 6,264 4,272 1,274 7,277 6,281 2696,282 26.932,283 26.932,284 26.932,285 26.932,286 26.932,287 24.357,288 25.456,289 16.646,290 27.36,291 21.356,292 21.356,293 21.356,294 21.356,295 21.356,296 17.308,297 23.947,298 7.989,299 22.058,300 4.966,301 3.072,302 1.959,303 1.128,304 0.667,305 0.462,306 4.395,313 1374,314 3.873,318 560.122,322 640.131,325 2.177,326 16.015,329 0.5,330 0.33,331 0.67,332 0.7,333 0.5,334 0.67,335 0.5,336 0.55,337 78,338 606,339 4.64,340 4.463,341 6.829,342 4.207,343 3.226,344 4.564,345 2.95,346 11.348,347 3.162,348 4.64,349 3.361,350 6.829,351 4.192,352 3.226,353 4.564,354 0.4,355 11.348,356 3.113,357 3.914,358 3.211,359 5.982,360 3.524,361 2.532,362 3.437,363 0.4,364 8.37,365 2.512,366 3.914,367 2.686,368 5.982,369 3.524,370 2.532,371 3.437,373 8.37,374 2.512,375 3.522,376 2.669,377 5.381,378 3.136,379 2.184,380 2.893,382 6.711,383 2.079,384 3.522,385 2.515,386 5.381,387 3.097,388 2.18,389 2.893,391 6.711,392 1.99,393 2.945,394 2.357,395 4.116,396 2.853,397 1.894,398 2.142,400 3.865,401 1.815,402 2.939,403 2.059,404 4.116,405 2.615,406 1.653,407 2.142,409 3.553,410 1.582,411 2.909,412 1.77,413 4,414 2.514,415 1.529,416 1.92,418 3.335,419 1.505,420 2.709,421 1.73,422 3.96,423 2.504,424 1.514,425 1.734,427 3.329,428 1.498,429 2.608,430 1.535,431 3.832,432 2.345,433 1.347,434 1.642,436 3.329,437 1.343,438 2.562,439 1.46,440 3.666,441 2.345,442 1.347,443 1.576,445 3.176,446 1.343,447 2.49,448 1.438,449 3.594,450 2.242,451 1.308,452 1.489,454 2.902,455 1.24,456 2.486,457 1.35,458 3.594,459 2.242,460 1.247,461 1.485,463 2.902,464 1.24,465 2.334,466 1.35,467 3.578,468 2.232,469 1.247,470 1.33,472 2.814,473 1.198,474 18.933,475 0.498,476 0.548,477 0.014,478 44.5,479 1.171,480 21,481 0.553,482 23.5,483 0.618,484 42.09,485 1.108,486 40.467,487 0.519,488 28.544,489 0.751,490 7.367,491 0.194,492 11.515,493 0.303,496 0.264,501 0.971,502 1.156,503 0.869,504 0.977,505 0.819,506 0.98,507 1.095,508 1.187,509 1.054,510 1.091,511 0.903,512 1.059,513 1.156,514 0.991,515 0.919,516 0.889,517 0.976,518 0.863,519 1.474,520 1.022,521 1.233,522 1.063,523 1.278,524 0.978,525 1.268,526 1.054,527 1.374,528 1.212,529 1.186,530 1.145,531 0.899,532 1.157,533 1.213,534 1.245,535 1.046,536 1.24,537 0.739,538 1.049,539 0.931,540 1.038,541 0.885,542 1.074,543 0.894,544 0.931,545 0.848,546 0.889,547 0.836,548 0.91,549 3.5,550 0.107,551 3.333,552 2.25,553 2.16,554 0.708,555 0.478,556 0.229,557 0.172,558 0.134,559 30459,560 57265,561 2.225,562 51.3,563 12,564 16,567 2,568 4,569 4,570 2,572 1.778,573 2.192,574 3.814,575 0.044,582 102.919,583 1.319,584 3.213,585 4.326,586 5.157,587 5.619,588 5.824,589 3.005,590 3.616,591 5.232,592 4.122,593 2898.04,594 9.149,595 54919,600 490.261,601 0.831,602 5.222,603 0.081,604 0.004,605 0.057,606 0.036,607 0.037,608 0.013,609 0.011,610 0.007,611 0.006,612 0.005,613 0.257,614 0.17,615 0.5,617 218.283,618 0.022,619 -0.007,620 0.081,621 0.057,622 0.132,623 0.057,624 -0.025,625 -0.094,626 -0.025,627 -0.052,628 0.081,629 -0.045,630 0.035,631 0.042,632 0.134,633 0.119,634 0.128,635 0.121,636 -0.058,637 0.065,638 -0.016,639 0.016,640 -0.06,641 0.006,642 -0.172,643 0.006,644 -0.21,645 -0.121,646 -0.21,647 -0.137,648 -0.125,649 -0.182,650 -0.232,651 -0.233,652 -0.207,653 -0.234,654 0.022,655 -0.142,656 -0.047,657 -0.102,658 -0.051,659 -0.094,660 0.111,661 -0.02,662 0.068,663 0.027,664 0.082,665 0.047,666 0.532,667 1.991,668 0.737,669 41.008,670 0.979,671 1.12,672 4.784,673 22.888,674 0.671,675 3.784,676 4.078,677 4.407,678 4.727,679 5.024,680 5.094,681 5.226,682 5.323,683 5.375,684 5.209,685 10.107,686 0.612,687 524.84,688 3.784,689 5.313,690 6.176,691 7.055,692 7.941,693 8.834,694 9.729,695 10.628,696 11.528,697 12.431,698 5.1,700 1,703 1,708 2,714 4,715 8,716 2,720 6,722 22,734 1,741 78,743 22,744 2,745 43,747 83,748 33,749 18,750 4,751 8,756 6,757 12,767 8,770 11,772 18,773 15,793 40,794 4,795 2,796 5,797 1,802 4,808 0.333,822 2,829 6,833 4,853 1,859 2,860 1,862 1,868 38,876 15,877 2,879 1,901 17.333,902 13.733,903 8.472,904 5.513,907 4.634,908 1.519,909 1.027,910 8.556,911 13.563,912 4.007,913 4.605,914 5.263,915 5.911,916 6.538,917 6.871,918 7.251,919 7.595,920 7.89,921 7.693,922 0.9,923 63,924 14.155,926 6,927 0.026,929 7.289,931 28.808,933 24.857,936 1.789,937 68,941 447.302,942 168.753,943 69.593,947 32.22,948 136.533,949 447.302,950 69.593,952 35.097,953 93.821,954 51.582,955 25.626,957 479.521,959 447.302,960 206.126,962 32.22,964 376.675,965 70.627,968 62.909,969 91.635,970 51.582,971 32.22,972 447.302,973 69.593,974 168.753,977 447.302,978 92.943,979 75.81,980 36.022,981 33.571,982 447.302,983 69.593,984 168.753,986 0.562,987 0.336,988 0.202,989 0.118,990 28,991 10,992 0.133,993 11,994 4,995 1.286,996 5.128,997 364.265,998 0.286,999 28,1000 199.421,1001 1,1005 25.804,1006 12.6,1007 5.936,1008 4.937,1009 69.593,1010 17.335,1011 9.961,1015 8.516,1017 36.022,1018 685.647,1019 54,1031 76.388,1032 87.387,1034 0.21,1035 0.511,1036 0.688,1037 0.821,1038 0.894,1039 0.927,1040 5.234,1041 1.653,1042 6.12,1043 3.865,1044 4.762,1045 5.293,1046 2.947,1047 6.936,1048 4.701,1049 6.407,1050 1.529,1051 7.665,1052 3.553,1053 4.111,1054 5.094,1056 7.861,1057 4.029,1058 7.709,1059 1.514,1060 9.325,1061 3.335,1062 6.33,1063 7.56,1064 5.028,1065 11.05,1066 6.216,1067 9.059,1068 1.347,1069 11.059,1070 3.329,1071 6.635,1072 8.307,1074 12.888,1075 6.498,1076 10.454,1077 1.347,1078 12.843,1079 3.329,1080 8.224,1081 10.199,1082 7.185,1083 15.568,1084 8.063,1085 11.88,1086 1.308,1087 14.66,1088 3.176,1089 8.999,1090 11.369,1092 17.754,1093 8.81,1094 13.329,1095 1.247,1096 16.5,1097 2.902,1098 10.326,1099 13.036,1100 9.348,1101 20.269,1102 10.115,1103 3.226,1104 1.247,1105 18.356,1106 2.902,1107 11.322,1108 14.397,1110 22.595,1111 11.081,1112 3.226,1113 11.348,1114 20.224,1115 2.814,1116 12.545,1117 15.974,1118 11.511,1119 25.054,1120 12.281,1121 2.532,1122 11.348,1123 22.101,1124 4.564,1125 13.639,1126 17.421,1128 27.437,1129 13.344,1130 2.532,1131 8.37,1132 23.985,1133 4.564,1134 14.825,1135 18.961,1136 13.675,1137 29.877,1138 14.504,1139 2.184,1140 8.37,1141 25.874,1142 3.437,1143 15.961,1144 20.447,1146 32.285,1147 15.611,1148 2.18,1149 6.711,1150 27.768,1151 3.437,1152 17.134,1153 21.973,1154 15.838,1155 34.717,1156 16.757,1157 1.894,1158 6.711,1159 29.665,1160 2.893,1161 18.289,1162 23.476,1164 37.137,1165 17.883,1166 27290,1167 37584,1168 30.394,1169 52.376,1170 62.793,1171 66.678,1172 64.15,1173 62.99,1174 62.986,1175 80.032,1176 7.5,1177 175.726,1178 60.978,1179 5.608,1180 6.463,1181 6.753,1182 5.316,1183 5.226,1184 7.564,1185 5.9,1186 18.879,1187 5.162,1189 1.46,1190 1.551,1191 1.492,1192 1.465,1193 1.465,1194 1.861,1195 0.174,1196 4.087,1197 1.418,1198 4.131,1199 4.161,1200 4.155,1201 4.071,1202 4.984,1203 4.066,1204 4.083,1205 4.109,1206 4.067,1207 4.025,1208 4.947,1209 4.024,1210 3.749,1211 3.822,1212 3.71,1213 3.654,1214 4.415,1215 3.639,1216 3.731,1217 3.781,1218 3.619,1219 3.65,1220 4.403,1221 3.635,1222 3.73,1223 3.78,1224 3.61,1225 3.587,1226 4.335,1227 3.571,1228 3.581,1229 3.653,1230 3.547,1231 3.473,1232 4.201,1233 3.427,1234 3.35,1235 3.422,1236 3.312,1237 3.221,1238 4.015,1239 3.198,1240 3.247,1241 3.299,1242 3.138,1243 3.151,1244 3.976,1245 3.131,1246 0.108,1247 0.104,1248 0.159,1249 0.098,1250 0.075,1251 4.64,1252 0.106,1253 4.463,1254 0.069,1255 6.829,1256 0.264,1257 4.207,1258 0.074,1259 3.226,1260 4.564,1261 2.95,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.437,1269 2.163,1270 2.067,1271 2.046,1272 2.143,1273 2.141,1274 1.435,1275 2.148,1276 1.754,1277 1.709,1278 1.977,1279 1.93,1280 1.302,1281 1.952,1282 1.754,1283 1.709,1284 1.948,1285 1.872,1286 1.205,1287 1.902,1288 1.73,1289 1.66,1290 1.948,1291 1.872,1292 1.144,1293 1.901,1294 1.59,1295 1.527,1296 1.841,1297 1.773,1298 1.128,1299 1.807,1300 1.334,1301 1.272,1302 1.579,1303 1.542,1304 0.817,1305 1.569,1306 1.255,1307 1.209,1308 1.459,1309 1.387,1310 0.758,1311 1.419,1312 4.466,1314 5.765,1316 7.287,1318 8.925,1320 10.63,1328 17.706,1329 7.494,1331 2.051,1340 47.755,1341 102.919,1342 250.648,1343 337.449,1344 402.261,1345 438.261,1346 454.261,1347 52.234,1348 8.928,1349 49.84,1350 75.14,1351 36,1352 12.952,1353 4.524,1354 3.585,1355 53.768,1356 245,1357 142,1358 0.104,1359 291.992,1360 497.81,1361 704.219,1362 149190,1364 25.572,1365 0.673,1366 0.614,1367 25.926,1368 23.345,1369 18.882,1370 0.439,1371 0.366,1372 14.779,1373 18.138,1374 14.397,1375 11.885,1376 19.336,1377 15.752,1378 16.038,1379 0.277,1380 0.205,1381 16.595,1382 11.918,1383 14.107,1384 0.174,1385 0.116,1386 14.804,1387 9.36,1388 12.46,1389 0.111,1390 0.066,1391 13.263,1392 7.368,1393 10.907,1394 0.072,1395 0.038,1396 11.682,1397 5.789,1398 0.174,1399 119.605,1400 0.181,1401 35.574,1402 0.259,1403 202,1404 404.816,1405 231.498,1406 428.416,1407 617.76,1408 410,1409 240,1410 460.508,1411 268.037,1412 482.985,1413 719.08,1414 462,1415 8.573}
{0 CHEMBL486507,1 1.331,2 15.324,3 6.931,4 48.042,5 151.951,6 6.407,7 0.405,8 4.433,9 4.562,10 3.891,11 3.983,12 5.327,13 3.93,14 5.052,15 5.247,16 4.248,17 4.432,18 5.849,19 4.348,20 5.348,21 5.584,22 4.343,23 4.624,24 6.099,25 4.497,26 5.444,27 5.705,28 4.279,29 4.637,30 6.146,31 4.483,32 5.462,33 5.73,34 4.196,35 4.609,36 6.138,37 4.447,38 5.437,39 5.711,40 4.078,41 4.584,42 6.072,43 4.393,44 5.416,45 5.719,46 3.98,47 4.492,48 6.002,49 4.288,50 5.255,51 5.541,52 3.955,53 4.386,54 5.868,55 4.207,56 0.084,57 1.102,58 18.975,59 7.969,60 12.415,61 11.133,62 0.285,63 1.896,64 35.921,65 13.682,66 25.041,67 19.555,68 0.461,69 2.457,70 48.165,71 18.4,72 36.859,73 26.768,74 0.39,75 2.612,76 52.916,77 20.064,78 38.758,79 29.361,80 0.496,81 2.579,82 54.394,83 19.784,84 40.176,85 28.927,86 0.39,87 2.518,88 52.361,89 20.123,90 34.872,91 29.44,92 0.414,93 2.4,94 51.337,95 19.278,96 34.77,97 28.553,98 0.308,99 2.075,100 43.615,101 16.616,102 26.622,103 24.422,104 9,105 59,106 0.204,107 0.484,108 0.701,109 0.812,110 0.824,111 0.824,112 3.642,113 1.023,114 -5.46,115 -5.34,116 -4.98,121 41,123 9,124 2,126 2,127 4,144 6,145 4,146 3,148 2,176 19,180 8,185 2,187 24,191 1,192 9,195 1,197 2,200 17,206 7,209 1,211 4,214 14,219 7,224 4,227 14,232 6,237 1,239 10,243 1,244 8,249 1,251 6,256 8,261 1,264 6,269 2,274 2,277 12,281 2563,282 25.927,283 25.927,284 25.927,285 25.927,286 25.927,287 23.916,288 30.776,289 15.274,290 26.501,291 20.683,292 20.683,293 20.683,294 20.683,295 20.683,296 17.395,297 34.317,298 7.131,299 21.415,300 4.954,301 3.133,302 1.721,303 0.994,304 0.917,305 0.917,306 4.365,312 1,313 1276,314 3.464,317 86.208,318 501.129,321 163.948,322 316.072,325 2.497,326 18.251,329 0.75,330 0.67,331 1,332 1,333 1,334 1,335 1,336 0.92,337 77.5,338 567,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.86,346 11.348,347 3.162,348 4.422,349 3.34,350 6.398,351 4.081,352 3.096,353 4.088,354 0.86,355 9.988,356 3.053,357 3.914,358 2.973,359 5.982,360 3.685,361 2.718,362 3.437,363 0.8,364 8.444,365 2.631,366 3.87,367 2.871,368 5.948,369 3.524,370 2.573,371 3.181,372 0.4,373 8.37,374 2.512,375 3.658,376 2.668,377 5.548,378 3.52,379 2.532,380 2.894,382 7.51,383 2.43,384 3.52,385 2.401,386 5.383,387 3.211,388 2.255,389 2.675,391 6.747,392 2.141,393 3.294,394 2.326,395 5.256,396 3.104,397 2.151,398 2.32,400 6.651,401 2.048,402 3.093,403 2.236,404 4.837,405 2.774,406 1.786,407 2.285,409 5.387,410 1.76,411 2.938,412 1.835,413 4.717,414 2.724,415 1.771,416 2.142,418 5.118,419 1.688,420 2.866,421 1.713,422 4.116,423 2.517,424 1.53,425 1.882,427 3.388,428 1.508,429 2.612,430 1.678,431 3.943,432 2.345,433 1.347,434 1.648,436 3.329,437 1.343,438 2.49,439 1.468,440 3.932,441 2.242,442 1.285,443 1.489,445 2.902,446 1.24,447 2.318,448 1.388,449 3.606,450 2.24,451 1.247,452 1.314,454 2.879,455 1.224,456 2.223,457 1.35,458 3.594,459 2.039,460 1.136,461 1.204,463 2.841,464 1.013,465 2,466 1.077,467 3.414,468 1.984,469 1,470 1,472 2.275,473 0.983,474 17.867,475 0.483,476 0.718,477 0.019,478 41.25,479 1.115,480 17.5,481 0.473,482 23.75,483 0.642,484 42.361,485 1.145,486 40.933,487 0.525,488 27.898,489 0.754,490 7.212,491 0.195,492 11,493 0.297,494 0.056,496 0.33,501 0.895,502 1.322,503 0.926,504 1.17,505 0.784,506 1.067,507 1.309,508 1.08,509 1.018,510 0.979,511 0.992,512 0.971,513 0.807,514 1.092,515 1.004,516 1.054,517 0.754,518 1.043,519 0.828,520 1.11,521 1.012,522 1.086,523 0.868,524 1.065,525 1.259,526 0.985,527 1.094,528 0.982,529 1.228,530 1.014,531 0.863,532 1.093,533 1.1,534 1.105,535 0.967,536 1.12,537 0.719,538 0.938,539 0.937,540 0.944,541 0.773,542 0.956,543 0.744,544 1,545 0.931,546 0.989,547 0.757,548 0.976,549 6.5,550 0.205,551 3.556,552 2.604,553 2.107,554 1.06,555 0.719,556 0.402,557 0.299,558 0.167,559 26167,560 50369,561 2.197,562 52.6,563 14,564 20,567 1,568 2,569 4,572 1.774,573 2.114,574 3.834,575 -0.472,582 103.847,583 1.331,584 3.153,585 4.564,586 5.292,587 5.369,588 5.369,589 3.191,590 4.378,591 5.186,592 4.106,593 2734.73,594 9.078,595 47741.5,600 490.261,601 1.181,602 5.165,603 0.155,604 0.007,605 0.06,606 0.042,607 0.038,608 0.021,609 0.016,610 0.01,611 0.007,612 0.005,613 0.361,614 0.33,615 0.63,616 0.596,617 208.448,618 0.035,619 -0.103,620 0.087,621 -0.026,622 0.144,623 0.026,624 -0.115,625 0.045,626 0.006,627 0.069,628 0.037,629 0.052,630 0.095,631 -0.025,632 -0.013,633 -0.037,634 0.148,635 -0.034,636 0.014,637 -0.088,638 -0.032,639 -0.091,640 0.04,641 -0.069,642 -0.134,643 0.015,644 -0.093,645 -0.01,646 -0.177,647 -0.042,648 -0.073,649 -0.107,650 -0.132,651 -0.114,652 -0.148,653 -0.127,654 0.013,655 0.011,656 0.024,657 0.015,658 -0.031,659 0.019,660 0.014,661 -0.031,662 0.035,663 -0.01,664 -0.011,665 0.011,666 0.802,667 2.028,668 0.784,669 43.29,670 0.984,671 1.126,672 4.229,673 17.881,674 0.646,675 3.761,676 4.094,677 4.419,678 4.727,679 4.997,680 5.088,681 5.252,682 5.375,683 5.438,684 5.472,685 9.345,686 0.596,687 499.76,688 3.761,689 5.313,690 6.184,691 7.074,692 7.96,693 8.856,694 9.748,695 10.646,696 11.541,697 12.439,698 3.8,701 1,703 1,708 1,714 2,715 6,716 1,720 7,722 17,734 1,739 2,741 78,743 17,744 2,745 42,747 83,748 32,749 15,750 6,751 6,756 6,757 10,767 8,768 2,770 9,772 15,773 17,774 2,793 41,794 5,795 1,796 5,802 3,808 0.5,809 2,822 1,828 1,829 5,832 1,833 2,855 1,859 3,864 2,868 37,876 13,877 1,878 2,880 2,881 1,893 2.6,898 2,901 17.5,902 14.4,903 8.167,904 5.213,907 3.476,908 1.381,909 1,910 7.576,911 12.603,912 3.942,913 4.522,914 5.122,915 5.714,916 6.287,917 6.574,918 6.904,919 7.205,920 7.438,921 7.358,922 0.9,923 62,924 13.779,926 5.875,927 0.026,929 7.329,931 27.961,933 24.376,936 1.829,937 67.667,941 470.844,942 140.131,943 37.921,945 22,948 140.131,949 492.844,950 37.921,951 21.766,952 31.234,953 56.857,954 34.796,955 55.398,957 470.844,959 470.844,960 178.052,961 22,964 423.76,965 69.084,968 39.259,969 103.997,970 34.796,972 470.844,973 59.92,974 140.131,977 470.844,978 61.508,979 81.748,980 18.011,981 38.785,982 470.844,983 59.92,984 140.131,986 0.576,987 0.351,988 0.202,989 0.114,990 30,991 12,992 0.096,993 8,994 3,995 1.207,996 4.918,997 362.559,998 0.207,999 29,1000 176.75,1005 25.005,1006 11.21,1007 5.332,1008 2.423,1009 59.92,1010 13.051,1011 4.992,1015 8.78,1017 18.011,1018 670.896,1019 50.5,1031 76.748,1032 87.803,1034 0.212,1035 0.502,1036 0.726,1037 0.842,1038 0.854,1039 0.854,1040 5.205,1041 1.786,1042 6.159,1043 6.651,1044 4.779,1045 5.209,1046 1.656,1047 6.984,1048 4.719,1049 6.381,1050 1.771,1051 7.718,1052 5.387,1053 4.29,1054 5.037,1055 0.325,1056 7.881,1057 4.207,1058 7.685,1059 1.53,1060 9.376,1061 5.118,1062 6.382,1063 7.399,1064 1.308,1065 11.006,1066 6.276,1067 9.026,1068 1.347,1069 11.094,1070 3.388,1071 6.746,1072 8.109,1073 0.268,1074 12.749,1075 6.618,1076 10.405,1077 1.285,1078 12.851,1079 3.329,1080 8.265,1081 9.951,1082 1.064,1083 15.382,1084 8.122,1085 11.81,1086 1.247,1087 14.635,1088 2.902,1089 9.036,1090 11.071,1091 0.188,1092 17.488,1093 8.873,1094 13.236,1095 1.136,1096 16.439,1097 2.879,1098 10.322,1099 12.708,1100 0.862,1101 19.961,1102 10.146,1103 3.226,1104 1,1105 18.258,1106 2.841,1107 11.29,1108 14.025,1109 0.125,1110 22.23,1111 11.096,1112 3.096,1113 11.348,1114 20.09,1115 2.275,1116 12.482,1117 15.579,1118 0.69,1119 24.652,1120 12.275,1121 2.718,1122 9.988,1123 21.932,1124 4.564,1125 13.544,1126 16.991,1127 0.082,1128 26.996,1129 13.32,1130 2.573,1131 8.444,1132 23.782,1133 4.088,1134 14.703,1135 18.511,1136 0.544,1137 29.405,1138 14.464,1139 2.532,1140 8.37,1141 25.639,1142 3.437,1143 15.81,1144 19.969,1145 0.054,1146 31.785,1147 15.554,1148 2.255,1149 7.51,1150 27.504,1151 3.181,1152 16.958,1153 21.477,1154 0.424,1155 34.194,1156 16.687,1157 2.151,1158 6.747,1159 29.373,1160 2.894,1161 18.088,1162 22.959,1163 0.035,1164 36.592,1165 17.8,1166 23718,1167 33034,1168 29.126,1169 50.393,1170 62.324,1171 63.724,1172 64.232,1173 62.33,1174 62.434,1175 75.703,1176 5.84,1177 180.904,1178 60.393,1179 5.64,1180 5.361,1181 6.515,1182 5.247,1183 5.226,1184 7.564,1185 1.72,1186 18.879,1187 5.162,1188 12.53,1189 1.484,1190 1.517,1191 1.529,1192 1.484,1193 1.487,1194 1.802,1195 0.139,1196 4.307,1197 1.438,1198 4.123,1199 4.155,1200 4.078,1201 4.048,1202 4.978,1203 4.051,1204 4.041,1205 4.068,1206 3.981,1207 3.975,1208 4.92,1209 3.973,1210 3.864,1211 3.92,1212 3.749,1213 3.731,1214 4.495,1215 3.727,1216 3.732,1217 3.781,1218 3.617,1219 3.65,1220 4.423,1221 3.636,1222 3.59,1223 3.645,1224 3.473,1225 3.424,1226 4.4,1227 3.428,1228 3.471,1229 3.533,1230 3.33,1231 3.295,1232 4.332,1233 3.293,1234 3.249,1235 3.315,1236 3.115,1237 3.113,1238 4.166,1239 3.105,1240 3.249,1241 3.314,1242 3.057,1243 2.971,1244 3.977,1245 2.97,1246 0.11,1247 0.08,1248 0.163,1249 0.1,1250 0.077,1251 4.64,1252 0.109,1253 3.361,1254 0.02,1255 6.829,1256 0.27,1257 4.207,1258 0.075,1259 3.226,1260 4.564,1261 0.86,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.506,1269 2.164,1270 1.888,1271 1.873,1272 2.093,1273 2.049,1274 1.434,1275 2.067,1276 1.885,1277 1.833,1278 1.969,1279 1.981,1280 1.234,1281 1.975,1282 1.754,1283 1.709,1284 1.949,1285 1.872,1286 1.176,1287 1.902,1288 1.626,1289 1.562,1290 1.859,1291 1.807,1292 1.152,1293 1.829,1294 1.46,1295 1.388,1296 1.725,1297 1.663,1298 1.024,1299 1.689,1300 1.241,1301 1.187,1302 1.579,1303 1.525,1304 0.825,1305 1.543,1306 1.235,1307 1.179,1308 1.575,1309 1.521,1310 0.756,1311 1.538,1312 4.443,1314 5.771,1315 2.398,1316 7.306,1317 4.727,1318 8.937,1319 6.823,1320 10.621,1322 3.458,1328 15.769,1329 3.86,1330 11.057,1332 1.611,1333 2.665,1340 46.503,1341 103.847,1342 245.904,1343 356.023,1344 412.752,1345 418.752,1346 418.752,1347 51.938,1348 9.127,1349 46.62,1350 46.62,1351 35,1352 12.963,1353 4.17,1354 3.248,1355 51.538,1356 215,1357 179,1358 0.115,1359 278.321,1360 484.76,1361 670.864,1362 162706,1364 25.192,1365 0.681,1366 0.609,1367 25.192,1368 22.522,1369 18.212,1370 0.434,1371 0.341,1372 14.17,1373 17.671,1374 13.798,1375 11.389,1376 18.212,1377 14.32,1378 16.035,1379 0.272,1380 0.192,1381 16.035,1382 11.334,1383 14.289,1384 0.174,1385 0.11,1386 14.289,1387 8.996,1388 12.459,1389 0.111,1390 0.063,1391 12.459,1392 7.035,1393 10.597,1394 0.072,1395 0.037,1396 10.597,1397 5.396,1398 0.189,1399 112.978,1400 0.185,1401 34.434,1402 0.295,1403 202,1404 441.094,1405 213.613,1406 426.956,1407 606.69,1408 408,1409 242,1410 456.711,1411 254.946,1412 467.8,1413 690.19,1414 441,1415 8.29}
{0 CHEMBL486508,1 1.321,2 16.132,3 6.994,4 48.91,5 156.817,6 6.343,7 0.395,8 4.467,9 4.597,10 3.915,11 4.015,12 5.353,13 3.959,14 5.087,15 5.285,16 4.267,17 4.464,18 5.876,19 4.375,20 5.387,21 5.626,22 4.361,23 4.652,24 6.125,25 4.522,26 5.481,27 5.746,28 4.296,29 4.667,30 6.175,31 4.51,32 5.491,33 5.758,34 4.215,35 4.648,36 6.154,37 4.48,38 5.483,39 5.76,40 4.087,41 4.624,42 6.107,43 4.425,44 5.466,45 5.776,46 3.951,47 4.515,48 6.034,49 4.296,50 5.281,51 5.581,52 3.919,53 4.362,54 5.873,55 4.172,56 0.09,57 1.141,58 19.834,59 8.317,60 12.824,61 11.659,62 0.292,63 1.961,64 37.372,65 14.268,66 25.562,67 20.462,68 0.447,69 2.538,70 50.097,71 19.051,72 37.341,73 27.889,74 0.444,75 2.698,76 54.938,77 20.764,78 40.79,79 30.406,80 0.478,81 2.64,82 55.689,83 20.846,84 38.972,85 30.303,86 0.398,87 2.617,88 54.656,89 21.211,90 35.331,91 31.006,92 0.401,93 2.48,94 53.621,95 20.157,96 35.431,97 29.974,98 0.341,99 2.086,100 44.638,101 16.836,102 28.747,103 24.85,104 9,105 60,106 0.201,107 0.474,108 0.69,109 0.806,110 0.828,111 0.828,112 3.667,113 1.034,114 -5.64,115 -5.51,116 -5.14,121 40.7,123 10,124 2,126 2,127 4,144 6,145 4,146 3,148 2,176 19,180 9,185 3,187 24,191 1,192 9,197 2,200 17,206 7,209 2,211 4,214 18,219 5,224 2,227 17,232 7,237 2,239 15,244 6,249 1,251 5,255 1,256 10,261 1,264 6,269 2,274 1,277 8,281 2814,282 26.635,283 26.635,284 26.635,285 26.635,286 26.635,287 24.623,288 32.821,289 15.774,290 27.206,291 21.183,292 21.183,293 21.183,294 21.183,295 21.183,296 17.895,297 38.067,298 7.378,299 21.915,300 5.019,301 3.227,302 1.812,303 1.05,304 0.908,305 0.908,306 4.39,313 1377,314 3.606,317 91.051,318 529.681,321 172.879,322 333.96,325 2.644,326 18.311,329 0.5,330 0.67,331 0.67,332 0.9,333 1,334 0.83,335 1,336 0.8,337 79.5,338 613,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.86,346 11.348,347 3.162,348 4.422,349 3.34,350 6.398,351 4.081,352 3.096,353 4.088,354 0.86,355 9.988,356 3.053,357 3.914,358 2.973,359 5.982,360 3.685,361 2.718,362 3.437,363 0.8,364 8.444,365 2.632,366 3.87,367 2.869,368 5.948,369 3.524,370 2.573,371 3.181,372 0.4,373 8.37,374 2.512,375 3.657,376 2.668,377 5.547,378 3.521,379 2.532,380 2.893,382 7.51,383 2.431,384 3.522,385 2.391,386 5.382,387 3.207,388 2.25,389 2.677,391 6.719,392 2.14,393 3.3,394 2.345,395 5.258,396 3.121,397 2.168,398 2.323,400 6.682,401 2.064,402 3.093,403 2.236,404 4.838,405 2.782,406 1.792,407 2.285,409 5.388,410 1.77,411 2.939,412 1.84,413 4.717,414 2.724,415 1.771,416 2.142,418 5.118,419 1.688,420 2.872,421 1.732,422 4.116,423 2.527,424 1.549,425 1.888,427 3.469,428 1.515,429 2.636,430 1.713,431 3.951,432 2.433,433 1.456,434 1.673,436 3.329,437 1.417,438 2.501,439 1.507,440 3.943,441 2.345,442 1.347,443 1.501,445 3.079,446 1.343,447 2.462,448 1.428,449 3.642,450 2.242,451 1.247,452 1.46,454 2.902,455 1.24,456 2.223,457 1.35,458 3.594,459 2.039,460 1.136,461 1.204,463 2.841,464 1.013,465 2,466 1.077,467 3.42,468 1.984,469 1,470 1,472 2.275,473 0.983,474 18.367,475 0.483,476 0.718,477 0.019,478 41.75,479 1.099,480 17.5,481 0.461,482 24.25,483 0.638,484 44.341,485 1.167,486 42.233,487 0.521,488 27.993,489 0.737,490 7.218,491 0.19,492 11.495,493 0.302,494 0.054,496 0.321,501 0.897,502 1.327,503 0.939,504 1.179,505 0.785,506 1.079,507 1.306,508 1.092,509 1.03,510 0.996,511 0.99,512 0.987,513 0.825,514 1.121,515 1.001,516 1.058,517 0.757,518 1.041,519 0.849,520 1.041,521 1.017,522 1.051,523 0.885,524 1.044,525 1.2,526 1.001,527 1.091,528 1.012,529 1.179,530 1.037,531 0.846,532 1.092,533 1.109,534 1.117,535 0.961,536 1.133,537 0.721,538 0.962,539 0.944,540 0.958,541 0.803,542 0.966,543 0.698,544 0.964,545 0.873,546 0.948,547 0.728,548 0.928,549 6.5,550 0.172,551 3.556,552 2.604,553 2.187,554 1.06,555 0.637,556 0.364,557 0.373,558 0.162,559 28960,560 55090,561 2.192,562 53.1,563 14,564 20,567 1,568 2,569 4,570 2,572 1.779,573 2.111,574 3.899,575 -0.479,582 106.979,583 1.321,584 3.113,585 4.528,586 5.29,587 5.432,588 5.432,589 3.316,590 4.458,591 5.225,592 4.183,593 2940.37,594 9.149,595 53376,600 513.528,601 1.167,602 5.205,603 0.151,604 0.005,605 0.059,606 0.041,607 0.038,608 0.02,609 0.014,610 0.01,611 0.01,612 0.004,613 0.353,614 0.33,615 0.63,616 0.585,617 217.027,618 0.038,619 -0.1,620 0.086,621 -0.025,622 0.15,623 0.026,624 -0.11,625 0.036,626 0.002,627 0.059,628 0.042,629 0.042,630 0.077,631 -0.056,632 -0.006,633 -0.039,634 0.147,635 -0.03,636 0.02,637 -0.015,638 -0.032,639 -0.06,640 0.037,641 -0.051,642 -0.119,643 -0.006,644 -0.095,645 -0.027,646 -0.159,647 -0.054,648 -0.074,649 -0.109,650 -0.143,651 -0.124,652 -0.144,653 -0.138,654 -0.005,655 -0.026,656 0.012,657 -0.004,658 -0.047,659 0.004,660 0.074,661 -0.015,662 0.09,663 0.015,664 0.038,665 0.047,666 0.799,667 2.029,668 0.763,669 46.474,670 0.983,671 1.126,672 4.414,673 19.484,674 0.644,675 3.784,676 4.111,677 4.431,678 4.736,679 5.004,680 5.088,681 5.242,682 5.357,683 5.412,684 5.421,685 9.85,686 0.593,687 513.79,688 3.784,689 5.333,690 6.201,691 7.088,692 7.971,693 8.865,694 9.755,695 10.65,696 11.544,697 12.441,698 3.7,701 1,703 1,708 1,714 2,715 6,716 1,720 7,722 17,734 1,739 2,741 81,743 17,744 2,745 43,747 86,748 33,749 15,750 6,751 6,756 6,757 10,767 8,768 2,770 10,772 15,773 18,774 2,793 43,794 5,795 1,796 5,802 3,808 0.5,809 2,822 1,828 1,829 5,832 1,833 2,855 1,859 3,864 2,868 38,876 14,877 1,878 2,880 2,881 1,893 2.5,898 2,901 18,902 14.9,903 8.417,904 5.463,907 3.461,908 1.378,909 0.996,910 8.084,911 12.608,912 3.961,913 4.533,914 5.128,915 5.717,916 6.289,917 6.572,918 6.898,919 7.194,920 7.423,921 7.32,922 1,923 63,924 14.156,926 6.017,927 0.026,929 7.32,931 28.777,933 25.042,936 1.82,937 69.167,941 494.386,942 142.666,943 37.921,945 22,948 142.666,949 516.386,950 37.921,951 21.766,952 33.768,953 56.857,954 34.796,955 55.398,957 494.386,959 494.386,960 180.587,961 22,964 423.76,965 92.626,968 41.793,969 103.997,970 34.796,972 494.386,973 59.92,974 142.666,977 494.386,978 64.042,979 81.748,980 18.011,981 38.785,982 494.386,983 59.92,984 142.666,986 0.574,987 0.348,988 0.201,989 0.113,990 30,991 12,992 0.105,993 9,994 3,995 1.207,996 5.039,997 370.761,998 0.207,999 29,1000 183.421,1005 25.951,1006 11.838,1007 5.703,1008 2.432,1009 59.92,1010 13.062,1011 4.99,1015 8.807,1017 18.011,1018 696.973,1019 51.5,1031 79.632,1032 91.218,1034 0.208,1035 0.491,1036 0.714,1037 0.834,1038 0.857,1039 0.857,1040 5.222,1041 1.792,1042 6.172,1043 6.682,1044 4.796,1045 5.22,1046 1.656,1047 6.991,1048 4.737,1049 6.393,1050 1.771,1051 7.727,1052 5.388,1053 4.29,1054 5.037,1055 0.325,1056 7.881,1057 4.207,1058 7.694,1059 1.549,1060 9.382,1061 5.118,1062 6.392,1063 7.403,1064 1.308,1065 11.007,1066 6.287,1067 9.032,1068 1.456,1069 11.098,1070 3.469,1071 6.746,1072 8.109,1073 0.268,1074 12.749,1075 6.618,1076 10.41,1077 1.347,1078 12.854,1079 3.329,1080 8.271,1081 9.952,1082 1.064,1083 15.382,1084 8.128,1085 11.813,1086 1.247,1087 14.637,1088 3.079,1089 9.036,1090 11.071,1091 0.188,1092 17.488,1093 8.873,1094 13.238,1095 1.136,1096 16.44,1097 2.902,1098 10.324,1099 12.708,1100 0.862,1101 19.961,1102 10.149,1103 3.226,1104 1,1105 18.259,1106 2.841,1107 11.29,1108 14.025,1109 0.125,1110 22.23,1111 11.096,1112 3.096,1113 11.348,1114 20.09,1115 2.275,1116 12.483,1117 15.579,1118 0.69,1119 24.652,1120 12.276,1121 2.718,1122 9.988,1123 21.932,1124 4.564,1125 13.544,1126 16.991,1127 0.082,1128 26.996,1129 13.32,1130 2.573,1131 8.444,1132 23.782,1133 4.088,1134 14.703,1135 18.511,1136 0.544,1137 29.405,1138 14.464,1139 2.532,1140 8.37,1141 25.64,1142 3.437,1143 15.81,1144 19.969,1145 0.054,1146 31.785,1147 15.555,1148 2.25,1149 7.51,1150 27.504,1151 3.181,1152 16.958,1153 21.477,1154 0.424,1155 34.194,1156 16.688,1157 2.168,1158 6.719,1159 29.373,1160 2.893,1161 18.088,1162 22.959,1163 0.035,1164 36.592,1165 17.8,1166 26256,1167 36349,1168 29.819,1169 52.154,1170 63.56,1171 64.954,1172 65.49,1173 63.647,1174 63.744,1175 77.019,1176 5.84,1177 183.549,1178 61.702,1179 5.64,1180 5.361,1181 6.515,1182 5.247,1183 5.226,1184 7.564,1185 1.72,1186 18.879,1187 5.162,1188 12.806,1189 1.478,1190 1.511,1191 1.523,1192 1.48,1193 1.482,1194 1.791,1195 0.136,1196 4.269,1197 1.435,1198 4.123,1199 4.155,1200 4.078,1201 4.048,1202 4.978,1203 4.051,1204 4.042,1205 4.07,1206 3.981,1207 3.976,1208 4.92,1209 3.973,1210 3.869,1211 3.925,1212 3.753,1213 3.735,1214 4.495,1215 3.731,1216 3.732,1217 3.781,1218 3.617,1219 3.65,1220 4.42,1221 3.636,1222 3.625,1223 3.688,1224 3.492,1225 3.47,1226 4.402,1227 3.465,1228 3.515,1229 3.567,1230 3.38,1231 3.35,1232 4.329,1233 3.349,1234 3.288,1235 3.356,1236 3.154,1237 3.151,1238 4.199,1239 3.143,1240 3.249,1241 3.315,1242 3.057,1243 2.985,1244 3.981,1245 2.988,1246 0.108,1247 0.078,1248 0.159,1249 0.098,1250 0.075,1251 4.64,1252 0.106,1253 3.361,1254 0.02,1255 6.829,1256 0.264,1257 4.207,1258 0.074,1259 3.226,1260 4.564,1261 0.86,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.507,1269 2.163,1270 1.891,1271 1.873,1272 2.096,1273 2.053,1274 1.435,1275 2.071,1276 1.885,1277 1.835,1278 1.969,1279 1.981,1280 1.26,1281 1.975,1282 1.754,1283 1.709,1284 1.95,1285 1.873,1286 1.176,1287 1.902,1288 1.657,1289 1.591,1290 1.896,1291 1.835,1292 1.167,1293 1.861,1294 1.53,1295 1.463,1296 1.79,1297 1.713,1298 1.119,1299 1.742,1300 1.274,1301 1.217,1302 1.579,1303 1.525,1304 0.825,1305 1.543,1306 1.241,1307 1.187,1308 1.575,1309 1.522,1310 0.762,1311 1.538,1312 4.466,1314 5.79,1315 2.398,1316 7.319,1317 4.727,1318 8.946,1319 6.823,1320 10.627,1322 3.462,1328 17.18,1329 3.853,1330 11.059,1332 1.63,1333 2.692,1340 48.03,1341 106.979,1342 252.126,1343 366.734,1344 428.508,1345 440.018,1346 440.018,1347 54.505,1348 9.146,1349 46.62,1350 46.62,1351 35,1352 12.966,1353 4.17,1354 3.248,1355 53.669,1356 233,1357 190,1358 0.11,1359 287.914,1360 502.06,1361 694.269,1362 172163,1364 25.899,1365 0.682,1366 0.611,1367 25.899,1368 23.229,1369 18.712,1370 0.435,1371 0.345,1372 14.67,1373 18.17,1374 14.288,1375 11.804,1376 18.712,1377 14.82,1378 16.389,1379 0.273,1380 0.195,1381 16.389,1382 11.688,1383 14.539,1384 0.175,1385 0.111,1386 14.539,1387 9.219,1388 12.63,1389 0.112,1390 0.064,1391 12.63,1392 7.212,1393 10.748,1394 0.073,1395 0.037,1396 10.748,1397 5.547,1398 0.182,1399 115.978,1400 0.183,1401 35.378,1402 0.278,1403 206,1404 445.094,1405 217.613,1406 431.118,1407 612.45,1408 412,1409 246,1410 460.711,1411 258.918,1412 471.959,1413 695.89,1414 445,1415 8.666}
{0 CHEMBL486698,1 1.471,2 6.125,3 3.454,4 11.933,5 66.543,6 8.025,7 0.611,8 3.475,9 3.595,10 3.117,11 3.126,12 4.508,13 3.076,14 4.017,15 4.179,16 3.525,17 3.558,18 4.987,19 3.478,20 4.31,21 4.526,22 3.603,23 3.681,24 5.26,25 3.576,26 4.265,27 4.494,28 3.449,29 3.545,30 5.282,31 3.425,32 4.144,33 4.403,34 3.121,35 3.375,36 5.028,37 3.21,38 3.949,39 4.229,40 2.936,41 3.133,42 4.762,43 2.911,44 3.632,45 3.924,46 2.428,47 2.74,48 4.356,49 2.444,50 2.936,51 3.235,52 1.69,53 1.972,54 3.7,55 1.632,56 0.026,57 0.408,58 5.509,59 2.553,60 4.944,61 3.474,62 0.031,63 0.676,64 10.846,65 4.847,66 7.077,67 6.648,68 0.111,69 0.878,70 18.361,71 6.485,72 16.007,73 8.888,74 0.198,75 0.855,76 17.198,77 5.685,78 25.758,79 7.898,80 0.139,81 0.731,82 15.134,83 5.257,84 20.394,85 7.334,86 0.118,87 0.531,88 14.394,89 5.1,90 18.27,91 7.112,92 0.103,93 0.328,94 14.948,95 4.182,96 13.651,97 5.539,98 0.082,99 0.132,100 9.791,101 2.168,102 9.59,103 2.742,104 5,105 26,106 0.284,107 0.674,108 0.772,109 0.843,110 0.87,111 0.87,112 2.857,113 1,114 -3.97,115 -3.92,116 -3.72,121 44.8,123 4,144 3,145 2,146 2,148 2,165 1,166 1,167 1,176 6,180 4,185 2,187 10,189 2,192 3,197 2,200 6,203 2,206 3,208 1,209 1,211 4,214 7,216 4,224 1,227 6,229 1,237 1,239 6,241 1,251 3,264 1,281 166,282 10.861,283 10.861,284 10.861,285 10.861,286 10.861,287 9.497,288 8.64,289 6.32,290 11.063,291 8.883,292 8.883,293 8.883,294 8.883,295 8.883,296 6.781,297 4.027,298 3.004,299 9.275,300 3.387,301 1.362,302 0.854,303 0.483,304 0.345,305 0.345,306 3.532,308 1,311 1,312 1,313 215,314 1.732,318 78.746,322 87.143,325 0.906,326 11.484,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 33.333,338 98,339 4.637,340 3.346,341 6.773,342 4.193,343 3.213,344 4.573,346 11.057,347 3.147,348 3.986,349 2.942,350 6.003,351 3.579,352 2.609,353 3.528,355 8.475,356 2.532,357 3.554,358 2.528,359 5.335,360 3.127,361 2.193,362 2.938,364 6.553,365 2.034,366 3.348,367 2.192,368 4.89,369 2.862,370 1.95,371 2.685,373 5.528,374 1.701,375 2.635,376 1.479,377 4.119,378 2.426,379 1.435,380 1.68,382 3.383,383 1.415,384 2.488,385 1.433,386 3.708,387 2.249,388 1.256,389 1.488,391 3.067,392 1.246,393 2.004,394 1.057,395 3.484,396 1.813,397 0.844,398 0.951,400 2.019,401 0.805,402 1.337,403 0.322,404 2.911,405 0.95,411 1.127,412 0.116,413 2.543,414 0.693,415 -0.193,416 -0.243,418 -0.462,419 -0.139,420 0.678,421 -0.455,422 2.342,423 0.286,424 -0.632,425 -0.75,427 -1.622,428 -0.544,429 0.298,430 -0.652,431 2,432 0.123,433 -0.867,434 -0.973,436 -2.12,437 -0.852,438 0.173,439 -0.927,440 1.835,441 -0.19,442 -1.134,443 -1.508,445 -3.083,446 -0.959,447 -0.023,448 -1.112,449 1.518,450 -0.444,451 -1.279,452 -1.624,454 -3.589,455 -1.196,456 -0.288,457 -1.389,458 1.333,459 -0.643,460 -1.565,461 -1.942,463 -4.413,464 -1.499,465 -0.5,466 -1.746,467 1.154,468 -0.885,469 -1.831,470 -2.199,472 -5.447,473 -1.743,474 8.014,475 0.501,476 0.418,477 0.026,478 20.5,479 1.281,480 10.5,481 0.656,482 10,483 0.625,484 12.018,485 0.751,486 16.586,487 0.572,488 11.113,489 0.695,490 3.599,491 0.225,492 4.155,493 0.26,494 0.139,496 0.374,501 0.767,502 0.997,503 0.603,504 0.778,505 0.903,506 0.799,507 0.581,508 1.167,509 0.614,510 0.925,511 0.486,512 0.908,513 0.944,514 1.139,515 0.852,516 0.958,517 0.837,518 0.927,519 1.003,520 1.123,521 0.877,522 1.029,523 1.085,524 1.062,525 1.089,526 0.934,527 0.829,528 0.907,529 1.32,530 1.035,531 0.538,532 0.915,533 0.798,534 1,535 0.653,536 1.037,537 1.374,538 0.796,539 1.716,540 1.211,541 1.214,542 1.123,543 2.392,544 0.564,545 2.747,546 1.368,547 1.967,548 1.132,549 3,551 2,552 1.375,553 1.271,554 0.375,555 0.2,556 0.047,557 0.02,559 1846,560 4697,561 2.135,562 44.8,563 6,564 3,567 2,568 2,572 1.557,573 2,574 2.657,575 0.39,577 1,578 1,579 1,582 42.67,583 1.471,584 3.496,585 4.004,586 4.375,587 4.513,588 4.513,589 2.149,590 2.906,591 3.977,592 2.676,593 321.104,594 6.719,595 2654.04,597 1,599 1,600 140.881,601 1.406,602 3.933,603 0.167,605 0.077,606 0.051,607 0.061,608 0.027,609 0.022,610 0.012,611 0.02,613 0.436,614 1,615 1,616 0.625,617 62.136,618 -0.089,619 0.123,620 0.007,621 0.103,622 -0.108,623 0.086,624 0.051,625 -0.14,626 0.07,627 -0.005,628 0.134,629 0.023,630 -0.036,631 -0.134,632 0.001,633 -0.025,634 0.028,635 0.014,636 0.03,637 -0.063,638 -0.077,639 -0.142,640 0.016,641 -0.161,642 -0.191,643 0.084,644 -0.069,645 -0.001,646 -0.26,647 -0.103,648 0.222,649 -0.055,650 0.149,651 0.008,652 0.175,653 -0.01,654 -0.093,655 -0.056,656 -0.127,657 -0.072,658 -0.138,659 -0.03,660 -0.341,661 0.088,662 -0.392,663 -0.099,664 -0.328,665 0.011,666 0.949,667 2.207,668 0.875,669 7.625,670 0.994,671 1.118,672 2.74,673 7.508,674 0.705,675 2.944,676 3.296,677 3.611,678 3.912,679 4.19,680 4.248,681 4.29,682 4.369,683 4.357,684 4.025,685 3.691,686 0.656,687 232.73,688 2.944,689 4.489,690 5.361,691 6.26,692 7.151,693 8.055,694 8.952,695 9.859,696 10.758,697 11.666,698 6.9,702 1,708 1,714 2,715 3,716 1,720 4,722 11,733 1,740 1,741 29,743 11,744 1,745 18,747 31,748 13,749 9,750 3,751 3,756 3,757 6,758 1,767 4,770 4,772 9,773 4,790 1,793 13,794 2,795 2,796 3,797 1,802 2,808 0.333,822 1,829 3,833 2,859 1,865 1,868 16,869 1,876 4,892 1,901 8,902 5.176,903 3.444,904 1.913,907 2.409,908 1.37,909 1.044,910 2.341,911 8.915,912 3.199,913 3.882,914 4.543,915 5.193,916 5.826,917 6.189,918 6.518,919 6.88,920 7.141,921 6.864,922 1,923 27,924 5.91,926 2.56,927 0.026,929 7.569,931 11.605,933 10.02,936 2.069,937 33.111,938 0.005,941 129.482,942 55.484,943 49.683,944 39.149,948 55.484,949 168.631,950 49.683,952 10.138,953 61.326,954 16.786,955 16.917,957 129.482,958 39.149,959 129.482,960 105.166,962 39.149,964 129.482,968 15.039,969 73.342,970 55.934,972 129.482,973 49.683,974 94.632,977 129.482,978 27.055,979 28.429,981 88.831,982 129.482,983 49.683,984 94.632,986 0.589,987 0.354,988 0.2,989 0.114,990 15,991 6,994 2,995 1.286,996 2.804,997 116.871,998 0.286,999 14,1000 64,1005 10.064,1006 3.722,1007 1.621,1008 1.954,1009 49.683,1010 5.73,1011 4.673,1015 4.033,1017 32.897,1018 273.797,1019 23.5,1031 28.829,1032 32.432,1034 0.303,1035 0.72,1036 0.824,1037 0.901,1038 0.929,1039 0.929,1040 4.44,1042 5.361,1043 2.019,1044 3.97,1045 4.564,1047 6.213,1048 3.892,1049 5.674,1050 -0.193,1051 6.944,1053 3.611,1054 4.559,1056 7.177,1057 3.453,1058 7.012,1059 -0.632,1060 8.629,1061 -0.462,1062 5.595,1063 6.9,1065 10.32,1066 5.467,1067 8.389,1068 -0.867,1069 10.374,1070 -1.622,1071 6.043,1072 7.707,1074 12.104,1075 5.865,1076 9.799,1077 -1.134,1078 12.157,1079 -2.12,1080 7.521,1081 9.554,1083 14.776,1084 7.358,1085 11.233,1086 -1.279,1087 13.967,1088 -3.083,1089 8.353,1090 10.736,1092 16.904,1093 8.159,1094 12.685,1095 -1.565,1096 15.796,1097 -3.589,1098 9.63,1099 12.387,1101 19.409,1102 9.436,1103 3.213,1104 -1.831,1105 17.64,1106 -4.413,1107 10.642,1108 13.75,1110 21.687,1111 10.425,1112 2.609,1113 11.057,1114 19.494,1115 -5.447,1116 11.841,1117 15.32,1119 24.128,1120 11.615,1121 2.193,1122 8.475,1123 21.358,1124 4.573,1125 12.936,1126 16.767,1128 26.472,1129 12.688,1130 1.95,1131 6.553,1132 23.23,1133 3.528,1134 14.108,1135 18.305,1137 28.89,1138 13.846,1139 1.435,1140 5.528,1141 25.107,1142 2.938,1143 15.24,1144 19.792,1146 31.264,1147 14.957,1148 1.256,1149 3.383,1150 26.99,1151 2.685,1152 16.403,1153 21.317,1155 33.672,1156 16.104,1157 0.844,1158 3.067,1159 28.876,1160 1.68,1161 17.552,1162 22.821,1164 36.061,1165 17.233,1166 1818,1167 2987,1168 12.137,1169 20.438,1170 27.089,1171 27.647,1172 28.226,1173 27.201,1174 27.001,1175 35.684,1177 80.164,1178 25.761,1179 5.582,1180 5.346,1181 6.454,1182 5.234,1183 5.213,1184 7.573,1186 18.595,1187 5.147,1188 6.216,1189 1.505,1190 1.536,1191 1.568,1192 1.511,1193 1.5,1194 1.982,1196 4.454,1197 1.431,1198 4.107,1199 4.134,1200 4.121,1201 4.04,1202 5.157,1203 4.043,1204 3.737,1205 3.78,1206 3.771,1207 3.66,1208 4.898,1209 3.645,1210 3.312,1211 3.373,1212 3.403,1213 3.193,1214 4.59,1215 3.182,1216 3.142,1217 3.22,1218 3.026,1219 2.97,1220 4.156,1221 2.968,1222 2.925,1223 3.019,1224 2.923,1225 2.771,1226 3.948,1227 2.749,1228 2.72,1229 2.832,1230 2.695,1231 2.576,1232 3.486,1233 2.556,1234 2.658,1235 2.706,1236 2.502,1237 2.382,1238 3.418,1239 2.394,1240 2.042,1241 2.187,1242 2.146,1243 1.718,1244 3.051,1245 1.707,1246 0.258,1247 0.186,1248 0.376,1249 0.233,1250 0.178,1251 4.637,1252 0.254,1253 3.346,1255 6.773,1256 0.614,1257 4.193,1258 0.175,1259 3.213,1260 4.573,1262 11.057,1263 3.147,1264 2.067,1265 2.044,1266 2.145,1267 2.154,1268 1.427,1269 2.154,1270 1.75,1271 1.709,1272 1.925,1273 1.863,1274 1.138,1275 1.892,1276 1.285,1277 1.237,1278 1.482,1279 1.476,1280 0.753,1281 1.485,1282 1.134,1283 1.059,1284 1.418,1285 1.346,1286 0.592,1287 1.378,1288 0.928,1289 0.857,1290 1.194,1291 1.178,1292 0.221,1293 1.196,1294 0.698,1295 0.624,1296 1.073,1297 0.988,1298 0.155,1299 1.026,1300 0.615,1301 0.511,1302 0.871,1303 0.811,1305 0.853,1306 0.058,1308 0.674,1309 0.452,1311 0.537,1312 3.611,1314 4.949,1316 6.512,1318 8.181,1320 9.905,1323 5.973,1326 6.207,1328 4.54,1340 19.031,1341 42.67,1342 101.372,1343 116.127,1344 126.881,1345 130.881,1346 130.881,1347 18.601,1348 6.506,1349 38.91,1350 38.91,1351 18,1352 12.184,1353 3.585,1354 2.7,1355 21.654,1356 39,1357 30,1358 0.322,1359 120.575,1360 198.59,1361 285.963,1362 4766,1363 3.4,1364 11.121,1365 0.695,1366 0.607,1367 11.621,1368 9.719,1369 7.754,1370 0.431,1371 0.333,1372 5.625,1373 7.351,1374 5.471,1375 4.495,1376 8.043,1377 5.998,1378 7.145,1379 0.275,1380 0.183,1381 7.554,1382 4.756,1383 6.227,1384 0.173,1385 0.097,1386 6.49,1387 3.504,1388 5.413,1389 0.11,1390 0.053,1391 5.648,1392 2.602,1393 4.507,1394 0.069,1395 0.03,1396 4.739,1397 1.954,1398 0.467,1399 50.396,1400 0.287,1401 15.571,1402 1.002,1403 88,1404 205.161,1405 106.6,1406 237.719,1407 324.98,1408 222,1409 106,1410 225.525,1411 119.256,1412 241.205,1413 356.4,1414 229,1415 8.08}
{0 CHEMBL488590,1 1.386,2 13.909,3 5.38,4 28.947,5 132.22,6 6.84,7 0.472,8 4.24,9 4.36,10 3.738,11 3.801,12 5.264,13 3.757,14 4.808,15 4.995,16 4.071,17 4.197,18 5.763,19 4.127,20 5.076,21 5.294,22 4.223,23 4.374,24 6.022,25 4.289,26 5.194,27 5.416,28 4.202,29 4.394,30 6.254,31 4.294,32 5.21,33 5.456,34 4.065,35 4.363,36 6.153,37 4.229,38 5.197,39 5.463,40 3.844,41 4.277,42 6.063,43 4.112,44 5.093,45 5.363,46 3.664,47 4.196,48 5.863,49 4.002,50 5.029,51 5.321,52 3.554,53 4.093,54 5.738,55 3.882,56 0.036,57 0.881,58 14.359,59 6.417,60 8.298,61 8.627,62 0.308,63 1.475,64 27.17,65 10.46,66 23.732,67 14.553,68 0.229,69 1.847,70 36,71 14.018,72 30.583,73 19.545,74 0.551,75 1.989,76 41.741,77 15.168,78 84.793,79 20.957,80 0.362,81 2.008,82 42.373,83 15.71,84 62.912,85 22.074,86 0.49,87 1.909,88 42.784,89 15.366,90 72.005,91 21.557,92 0.398,93 1.725,94 38.106,95 14.653,96 53.317,97 20.566,98 0.28,99 1.606,100 35.758,101 13.879,102 44.986,103 19.945,104 21,105 49,106 0.22,107 0.504,108 0.697,109 0.811,110 0.841,111 0.85,112 3.531,113 0.988,114 -5.75,115 -5.61,116 -5.23,121 43.1,122 1,123 4,126 1,127 4,144 10,145 5,146 1,160 2,176 18,179 2,180 10,187 20,192 12,200 15,205 2,206 16,214 11,219 13,227 11,232 6,239 15,243 1,244 3,251 17,256 1,264 12,268 2,269 5,277 8,281 1856,282 22.828,283 22.828,284 22.828,285 22.828,286 22.828,287 20.663,288 21.23,289 13.638,290 23.205,291 17.632,292 17.632,293 17.632,294 17.632,295 17.632,296 14.221,297 23.811,298 6.262,299 18.07,300 4.636,301 2.851,302 1.634,303 0.916,304 0.731,305 0.669,306 4.23,312 1,313 997,314 4.062,318 375.145,322 427.568,324 174.861,325 1.873,326 29.413,329 0.75,330 0.67,331 0.83,332 0.8,333 0.5,334 0.83,335 0.5,336 0.7,337 70,338 459,339 4.737,340 3.926,341 7.091,342 4.359,343 3.365,344 4.633,345 1.349,346 12.23,347 3.342,348 4.206,349 3.336,350 6.256,351 3.84,352 2.875,353 3.805,354 0.916,355 9.152,356 2.773,357 4.007,358 3.188,359 6.159,360 3.655,361 2.679,362 3.398,363 0.86,364 9.118,365 2.609,366 3.795,367 2.949,368 5.945,369 3.435,370 2.414,371 3.186,372 0.8,373 8.021,374 2.458,375 3.43,376 2.729,377 5.284,378 3.304,379 2.38,380 2.524,381 0.172,382 6.713,383 2.197,384 3.27,385 2.036,386 5.149,387 2.905,388 1.92,389 2.467,391 5.869,392 1.889,393 2.94,394 1.954,395 4.316,396 2.705,397 1.713,398 2.088,400 4.042,401 1.696,402 2.917,403 1.848,404 4.041,405 2.487,406 1.538,407 2.083,409 3.55,410 1.45,411 2.856,412 1.824,413 4.022,414 2.433,415 1.429,416 1.958,418 3.196,419 1.435,420 2.774,421 1.637,422 3.799,423 2.425,424 1.414,425 1.903,427 3.04,428 1.423,429 2.731,430 1.501,431 3.622,432 2.275,433 1.276,434 1.741,436 3.008,437 1.275,438 2.284,439 1.27,440 3.501,441 2.154,442 1.156,443 1.233,445 2.493,446 1.15,447 2.215,448 1.059,449 3.372,450 1.66,451 0.618,452 0.95,454 1.563,455 0.638,456 1.801,457 1.035,458 3.12,459 1.613,460 0.613,461 0.669,463 1.332,464 0.608,465 1.734,466 0.94,467 2.881,468 1.472,469 0.553,470 0.638,472 0.939,473 0.501,474 15.8,475 0.479,476 0.623,477 0.019,478 40,479 1.212,480 19.5,481 0.591,482 20.5,483 0.621,484 31.321,485 0.949,486 35.8,487 0.551,488 30.849,489 0.935,490 7.77,491 0.235,492 8.364,493 0.253,494 0.105,496 0.304,501 0.682,502 1.327,503 0.851,504 1.149,505 0.526,506 1.038,507 0.902,508 1.005,509 0.943,510 0.93,511 0.584,512 0.93,513 0.858,514 1.055,515 0.849,516 0.991,517 0.732,518 0.922,519 1.218,520 1.045,521 1.035,522 1.004,523 1.223,524 0.997,525 1.065,526 1.093,527 1.048,528 1.079,529 1.144,530 1.06,531 1.29,532 0.914,533 1.138,534 0.963,535 1.3,536 1.02,537 0.973,538 0.946,539 1.126,540 1.042,541 0.933,542 1.098,543 0.662,544 1.007,545 0.952,546 1.025,547 0.722,548 1.03,549 4.5,550 0.157,551 3.556,552 2.625,553 2.316,554 0.951,555 0.545,556 0.264,557 0.18,558 0.162,559 17594,560 40522,561 2.079,562 49.2,563 4,564 21,569 7,572 1.746,573 1.96,574 3.707,575 -0.841,582 90.093,583 1.386,584 3.172,585 4.388,586 5.107,587 5.291,588 5.353,589 3.025,590 4.56,591 5.023,592 3.944,593 2082.27,594 8.753,595 33542.8,600 391.454,601 1.35,602 4.982,603 0.125,604 0.006,605 0.073,606 0.047,607 0.045,608 0.022,609 0.016,610 0.009,611 0.007,612 0.006,613 0.356,614 0.33,615 0.75,616 0.767,617 179.293,618 0.017,619 -0.16,620 0.062,621 -0.057,622 0.002,623 -0.005,624 0.038,625 0.116,626 0.024,627 0.078,628 0.031,629 0.054,630 0.02,631 -0.01,632 0.118,633 0.013,634 0.076,635 0.071,636 0.028,637 -0.032,638 -0.025,639 -0.029,640 0.098,641 -0.033,642 -0.056,643 -0.103,644 -0.059,645 -0.105,646 -0.008,647 -0.084,648 -0.156,649 0.041,650 -0.13,651 -0.008,652 -0.121,653 -0.055,654 -0.085,655 -0.009,656 -0.148,657 -0.063,658 -0.101,659 -0.108,660 0.015,661 -0.098,662 0.01,663 -0.047,664 -0.032,665 -0.026,666 1.835,667 5.976,668 0.576,669 33.522,670 0.991,671 1.121,672 4.517,673 20.402,674 0.658,675 3.611,676 3.912,677 4.234,678 4.511,679 4.762,680 4.812,681 4.898,682 4.956,683 5.05,684 4.963,685 8.539,686 0.617,687 444.62,688 3.611,689 5.142,690 6.004,691 6.884,692 7.769,693 8.661,694 9.555,695 10.454,696 11.355,697 12.26,698 3.1,701 1,705 1,714 2,715 10,720 4,722 17,739 1,741 65,743 19,744 3,745 36,747 68,748 28,749 16,750 6,751 10,752 2,756 4,757 8,763 1,770 4,772 18,773 10,777 2,782 2,786 2,793 32,794 5,796 5,802 2,805 1,808 0.5,809 3,829 4,833 3,835 1,855 1,859 2,864 2,868 33,876 8,878 1,881 2,893 4.6,896 2,898 1,901 16.833,902 12.233,903 7.556,904 4.319,907 3.3,908 1.412,909 0.976,910 7.667,911 11.314,912 3.861,913 4.419,914 5.043,915 5.642,916 6.211,917 6.459,918 6.83,919 7.149,920 7.521,921 7.541,922 0.889,923 56,924 12.305,926 5.198,927 0.026,929 7.646,931 23.919,933 19.712,936 2.146,937 70.833,941 376.675,942 162.387,943 6.249,945 61.29,948 162.387,949 437.965,950 6.249,951 19.708,952 21.685,953 94.762,954 59.699,955 34.07,957 376.675,959 376.675,960 168.636,961 61.29,964 294.278,965 143.687,968 33.635,969 135.001,972 376.675,973 67.538,974 162.387,977 376.675,978 47.916,979 120.719,981 61.29,982 376.675,983 67.538,984 162.387,986 0.567,987 0.353,988 0.2,989 0.109,990 22,991 10,992 0.162,993 11,994 3,995 1.263,996 4.458,997 294.806,998 0.316,999 18,1000 154.465,1005 23.319,1006 10.849,1007 5.065,1008 1.737,1009 67.538,1010 19.498,1015 3.415,1018 606.601,1019 46.5,1024 25.952,1028 -0.337,1031 64.44,1032 72.853,1034 0.23,1035 0.527,1036 0.729,1037 0.848,1038 0.879,1039 0.889,1040 5.089,1041 1.538,1042 5.974,1043 4.042,1044 4.595,1045 5.106,1046 2.173,1047 6.81,1048 4.555,1049 6.272,1050 1.429,1051 7.546,1052 3.55,1053 4.111,1054 4.879,1055 0.57,1056 7.801,1057 4.052,1058 7.574,1059 1.414,1060 9.228,1061 3.196,1062 6.196,1063 7.303,1064 2.268,1065 10.963,1066 6.119,1067 8.918,1068 1.276,1069 10.979,1070 3.04,1071 6.608,1072 7.99,1073 1.104,1074 12.824,1075 6.518,1076 10.303,1077 1.156,1078 12.773,1079 3.008,1080 8.117,1081 9.868,1082 2.527,1083 15.521,1084 8.014,1085 11.717,1086 0.618,1087 14.598,1088 2.493,1089 8.949,1090 10.991,1091 1.71,1092 17.737,1093 8.841,1094 13.155,1095 0.613,1096 16.445,1097 1.563,1098 10.24,1099 12.652,1100 2.903,1101 20.292,1102 10.123,1103 3.365,1104 0.553,1105 18.308,1106 1.332,1107 11.268,1108 13.986,1109 2.357,1110 22.665,1111 11.148,1112 2.875,1113 12.23,1114 20.184,1115 0.939,1116 12.483,1117 15.56,1118 3.358,1119 25.177,1120 12.357,1121 2.679,1122 9.152,1123 22.07,1124 4.633,1125 13.601,1126 16.995,1127 3.014,1128 27.619,1129 13.474,1130 2.414,1131 9.118,1132 23.966,1133 3.805,1134 14.794,1135 18.536,1136 3.861,1137 30.12,1138 14.664,1139 2.38,1140 8.021,1141 25.869,1142 3.398,1143 15.955,1144 20.019,1145 3.667,1146 32.595,1147 15.823,1148 1.92,1149 6.713,1150 27.778,1151 3.186,1152 17.147,1153 21.549,1154 4.394,1155 35.094,1156 17.011,1157 1.713,1158 5.869,1159 29.694,1160 2.524,1161 18.329,1162 23.056,1163 4.311,1164 37.584,1165 18.191,1166 16646,1167 25461,1168 24.156,1169 42.796,1170 52.857,1171 55.331,1172 55.448,1173 52.548,1174 52.552,1175 67.258,1176 8.195,1177 149.564,1178 51.517,1179 5.709,1180 5.926,1181 6.915,1182 5.398,1183 5.365,1184 7.633,1185 2.549,1186 20.23,1187 5.342,1188 15.556,1189 1.468,1190 1.537,1191 1.54,1192 1.46,1193 1.46,1194 1.868,1195 0.228,1196 4.155,1197 1.431,1198 4.139,1199 4.155,1200 4.108,1201 4.087,1202 7.444,1203 4.089,1204 3.945,1205 3.978,1206 3.877,1207 3.861,1208 7.411,1209 3.86,1210 3.767,1211 3.827,1212 3.631,1213 3.635,1214 4.872,1215 3.623,1216 3.631,1217 3.698,1218 3.526,1219 3.443,1220 4.843,1221 3.451,1222 3.488,1223 3.542,1224 3.409,1225 3.41,1226 4.393,1227 3.404,1228 3.484,1229 3.52,1230 3.354,1231 3.303,1232 4.298,1233 3.311,1234 3.269,1235 3.34,1236 3.067,1237 3.112,1238 4.274,1239 3.092,1240 3.249,1241 3.314,1242 3.063,1243 2.986,1244 4.112,1245 2.987,1246 0.132,1247 0.109,1248 0.197,1249 0.121,1250 0.093,1251 4.737,1252 0.129,1253 3.926,1254 0.037,1255 7.091,1256 0.34,1257 4.359,1258 0.093,1259 3.365,1260 4.633,1261 1.349,1262 12.23,1263 3.342,1264 2.104,1265 2.091,1266 2.166,1267 2.169,1268 1.388,1269 2.167,1270 1.913,1271 1.887,1272 2.05,1273 2.031,1274 1.326,1275 2.038,1276 1.769,1277 1.708,1278 1.994,1279 1.929,1280 1.212,1281 1.954,1282 1.602,1283 1.532,1284 1.857,1285 1.814,1286 1.071,1287 1.83,1288 1.492,1289 1.46,1290 1.721,1291 1.667,1292 0.957,1293 1.682,1294 1.449,1295 1.39,1296 1.655,1297 1.6,1298 0.705,1299 1.619,1300 1.271,1301 1.211,1302 1.573,1303 1.514,1304 0.7,1305 1.533,1306 1.198,1307 1.126,1308 1.502,1309 1.483,1310 0.592,1311 1.498,1312 4.29,1314 5.595,1316 7.12,1318 8.76,1320 10.466,1322 3.896,1328 7.343,1330 5.477,1333 3.851,1340 40.089,1341 90.093,1342 206.153,1343 285.215,1344 331.944,1345 343.944,1346 347.944,1347 68.515,1348 8.014,1349 51.54,1350 51.54,1351 24,1352 12.78,1353 4.322,1354 3.524,1355 54.911,1356 176,1357 140,1358 0.15,1359 246.086,1360 432.79,1361 592.209,1362 40631,1364 23.209,1365 0.703,1366 0.592,1367 23.209,1368 19.55,1369 16.135,1370 0.448,1371 0.329,1372 11.732,1373 15.65,1374 11.414,1375 9.515,1376 16.135,1377 11.859,1378 13.623,1379 0.278,1380 0.175,1381 13.623,1382 8.566,1383 12.163,1384 0.179,1385 0.096,1386 12.163,1387 6.496,1388 10.244,1389 0.114,1390 0.052,1391 10.244,1392 4.666,1393 8.413,1394 0.073,1395 0.028,1396 8.413,1397 3.297,1398 0.247,1399 100.227,1400 0.203,1401 31.356,1402 0.384,1403 170,1404 452.497,1405 182.136,1406 436.211,1407 598.96,1408 410,1409 202,1410 436.452,1411 215.303,1412 445.334,1413 657.41,1414 419,1415 7.272}
{0 CHEMBL489454,1 1.261,2 15.821,3 7.353,4 54.062,5 164.888,6 6.364,7 0.5,8 4.472,9 4.613,10 3.921,11 4.042,12 5.362,13 3.98,14 5.071,15 5.278,16 4.262,17 4.473,18 5.875,19 4.376,20 5.382,21 5.641,22 4.369,23 4.636,24 6.13,25 4.51,26 5.418,27 5.685,28 4.318,29 4.632,30 6.163,31 4.493,32 5.416,33 5.675,34 4.243,35 4.655,36 6.121,37 4.496,38 5.483,39 5.759,40 4.116,41 4.664,42 6.125,43 4.463,44 5.5,45 5.81,46 3.96,47 4.569,48 6.077,49 4.338,50 5.353,51 5.674,52 3.877,53 4.394,54 5.926,55 4.179,56 0.101,57 1.204,58 19.746,59 7.979,60 12.08,61 11.633,62 0.235,63 2.04,64 36.302,65 13.679,66 23.004,67 20.4,68 0.341,69 2.61,70 49.653,71 17.995,72 36.08,73 27.258,74 0.489,75 2.691,76 51.902,77 18.052,78 42.861,79 27.508,80 0.4,81 2.653,82 51.307,83 19.063,84 36.239,85 28.525,86 0.338,87 2.712,88 54.313,89 21.44,90 35.356,91 31.636,92 0.342,93 2.617,94 55.137,95 21.463,96 36.136,97 31.899,98 0.349,99 2.26,100 47.854,101 17.82,102 32.049,103 26.813,104 2,105 60,106 0.191,107 0.471,108 0.637,109 0.75,110 0.797,111 0.805,112 3.692,113 1.04,114 -5.41,115 -5.29,116 -4.94,121 41.5,123 11,126 1,127 4,144 8,145 4,146 2,148 4,176 17,180 10,185 6,187 18,192 9,197 5,200 12,206 4,209 3,211 8,214 17,222 1,224 4,227 23,232 4,237 1,239 22,244 5,249 2,251 12,255 1,256 6,264 4,268 1,269 6,273 1,277 6,281 2978,282 27.38,283 27.38,284 27.38,285 27.38,286 27.38,287 24.805,288 30.081,289 16.705,290 27.718,291 21.822,292 21.822,293 21.822,294 21.822,295 21.822,296 17.774,297 34.601,298 7.976,299 22.38,300 5.096,301 3.245,302 2.147,303 1.399,304 1.082,305 1.034,306 4.417,313 1395,314 4.123,318 579.511,322 662.927,325 2.291,326 17.244,329 0.5,330 0.5,331 0.67,332 0.9,333 0.5,334 0.67,335 0.5,336 0.6,337 80.5,338 617,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.8,346 11.348,347 3.162,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 4.564,354 0.4,355 11.348,356 3.162,357 3.914,358 2.71,359 5.982,360 3.524,361 2.532,362 3.437,363 0.4,364 8.37,365 2.512,366 3.914,367 2.668,368 5.982,369 3.524,370 2.532,371 3.437,373 8.37,374 2.512,375 3.524,376 2.667,377 5.382,378 3.308,379 2.384,380 2.893,382 6.712,383 2.205,384 3.522,385 2.355,386 5.381,387 3.134,388 2.18,389 2.893,391 6.711,392 2.077,393 3.377,394 2.35,395 5.035,396 3.122,397 2.17,398 2.38,400 6.091,401 2.063,402 2.939,403 1.808,404 4.116,405 2.648,406 1.669,407 2.142,409 3.587,410 1.633,411 2.938,412 1.737,413 4.116,414 2.525,415 1.545,416 2.142,418 3.444,419 1.514,420 2.72,421 1.556,422 3.966,423 2.507,424 1.516,425 1.743,427 3.329,428 1.501,429 2.635,430 1.501,431 3.945,432 2.41,433 1.439,434 1.672,436 3.329,437 1.392,438 2.568,439 1.441,440 3.698,441 2.345,442 1.347,443 1.584,445 3.205,446 1.343,447 2.497,448 1.425,449 3.624,450 2.345,451 1.347,452 1.497,454 3.03,455 1.343,456 2.486,457 1.35,458 3.594,459 2.242,460 1.247,461 1.485,463 2.902,464 1.24,465 2.448,466 1.35,467 3.594,468 2.242,469 1.247,470 1.446,472 2.902,473 1.24,474 19,475 0.487,476 0.654,477 0.017,478 45.75,479 1.173,480 21,481 0.538,482 24.75,483 0.635,484 42.875,485 1.099,486 42.2,487 0.515,488 31.67,489 0.812,490 7.962,491 0.204,492 11.314,493 0.29,494 0.026,496 0.284,501 1.007,502 1.312,503 0.953,504 1.111,505 0.853,506 1.043,507 1.243,508 1.185,509 1.025,510 1.054,511 0.888,512 1.029,513 1.17,514 1.102,515 0.929,516 0.958,517 0.988,518 0.932,519 1.41,520 0.975,521 1.052,522 0.938,523 1.236,524 0.963,525 1.312,526 1.011,527 1.156,528 1.054,529 1.229,530 1.087,531 0.955,532 1.079,533 1.15,534 1.159,535 1.057,536 1.167,537 0.781,538 0.995,539 0.988,540 1.036,541 0.885,542 1.029,543 0.845,544 0.91,545 0.878,546 0.9,547 0.764,548 0.893,549 4.5,550 0.177,551 3.778,552 2.5,553 2.32,554 0.764,555 0.478,556 0.292,557 0.341,558 0.286,559 31660,560 57286,561 2.203,562 52.4,563 12,564 19,567 2,568 4,569 4,570 2,572 1.786,573 2.147,574 3.814,575 0.034,582 103.407,583 1.261,584 3.112,585 4.211,586 4.958,587 5.275,588 5.324,589 3.03,590 4.67,591 5.269,592 4.129,593 3059.59,594 9.233,595 58036.7,600 521.319,601 1.018,602 5.251,603 0.102,604 0.005,605 0.063,606 0.038,607 0.039,608 0.014,609 0.01,610 0.008,611 0.009,612 0.008,613 0.296,614 0.33,615 0.63,616 0.271,617 224.785,618 0.04,619 -0.092,620 0.074,621 0.003,622 0.123,623 0.035,624 -0.056,625 -0.054,626 -0.003,627 -0.016,628 0.092,629 -0.007,630 0.019,631 -0.058,632 0.081,633 0.029,634 0.114,635 0.054,636 -0.008,637 0.082,638 -0.028,639 0.02,640 -0.021,641 -0.001,642 -0.156,643 0.031,644 -0.152,645 -0.064,646 -0.2,647 -0.1,648 -0.113,649 -0.104,650 -0.175,651 -0.155,652 -0.186,653 -0.167,654 0.009,655 -0.086,656 -0.025,657 -0.061,658 -0.058,659 -0.048,660 0.098,661 -0.001,662 0.097,663 0.05,664 0.064,665 0.069,666 0.536,667 1.98,668 0.718,669 43.236,670 0.979,671 1.127,672 4.18,673 17.47,674 0.652,675 3.807,676 4.111,677 4.431,678 4.745,679 5.037,680 5.106,681 5.242,682 5.352,683 5.421,684 5.273,685 10.006,686 0.599,687 521.82,688 3.807,689 5.342,690 6.205,691 7.086,692 7.969,693 8.862,694 9.755,695 10.653,696 11.551,697 12.452,698 6.1,701 1,703 2,708 2,714 4,715 8,716 2,720 6,722 22,734 2,741 82,743 22,744 2,745 44,747 87,748 34,749 18,750 4,751 8,756 6,757 12,767 8,770 11,772 18,773 16,793 43,794 5,795 2,796 5,802 5,808 0.333,822 2,829 6,833 4,855 1,859 2,864 1,868 39,876 15,877 2,881 1,901 18.167,902 14.767,903 8.639,904 5.725,907 4.617,908 1.516,909 1.02,910 8.493,911 13.565,912 4.025,913 4.625,914 5.273,915 5.917,916 6.54,917 6.873,918 7.254,919 7.6,920 7.899,921 7.712,922 0.9,923 65,924 14.52,926 6.136,927 0.026,929 7.299,931 29.484,933 25.31,936 1.799,937 70.167,941 482.615,942 147.341,943 72.717,948 147.341,949 482.615,950 72.717,951 8.396,952 36.303,953 75.81,954 69.593,955 29.957,957 482.615,959 482.615,960 220.058,964 411.989,965 70.627,968 49.229,969 101.237,970 69.593,972 482.615,973 72.717,974 147.341,977 482.615,978 63.135,979 87.331,980 36.022,981 33.571,982 482.615,983 72.717,984 147.341,986 0.568,987 0.338,988 0.199,989 0.116,990 29,991 11,992 0.126,993 11,994 4,995 1.286,996 5.148,997 379.804,998 0.286,999 28,1000 202.131,1005 26.382,1006 12.555,1007 6.015,1008 4.828,1009 72.717,1010 17.253,1011 9.96,1015 8.247,1017 36.022,1018 702.673,1019 55,1031 80.297,1032 92.38,1034 0.198,1035 0.49,1036 0.662,1037 0.78,1038 0.83,1039 0.837,1040 5.26,1041 1.669,1042 6.159,1043 6.091,1044 4.796,1045 5.313,1046 0.956,1047 6.976,1048 4.746,1049 6.438,1050 1.545,1051 7.708,1052 3.587,1053 4.205,1054 5.13,1055 0.325,1056 7.901,1057 4.123,1058 7.742,1059 1.516,1060 9.369,1061 3.444,1062 6.372,1063 7.572,1064 0.447,1065 11.075,1066 6.276,1067 9.09,1068 1.439,1069 11.1,1070 3.329,1071 6.698,1072 8.319,1073 0.268,1074 12.903,1075 6.578,1076 10.482,1077 1.347,1078 12.88,1079 3.329,1080 8.263,1081 10.204,1082 0.252,1083 15.578,1084 8.128,1085 11.904,1086 1.347,1087 14.691,1088 3.205,1089 9.039,1090 11.372,1091 0.188,1092 17.759,1093 8.885,1094 13.35,1095 1.247,1096 16.526,1097 3.03,1098 10.355,1099 13.038,1100 0.158,1101 20.273,1102 10.185,1103 3.226,1104 1.247,1105 18.377,1106 2.902,1107 11.347,1108 14.398,1109 0.125,1110 22.596,1111 11.158,1112 3.226,1113 11.348,1114 20.24,1115 2.902,1116 12.564,1117 15.974,1118 0.103,1119 25.055,1120 12.358,1121 2.532,1122 11.348,1123 22.113,1124 4.564,1125 13.654,1126 17.421,1127 0.082,1128 27.438,1129 13.429,1130 2.532,1131 8.37,1132 23.994,1133 4.564,1134 14.836,1135 18.961,1136 0.067,1137 29.877,1138 14.593,1139 2.384,1140 8.37,1141 25.881,1142 3.437,1143 15.97,1144 20.447,1145 0.054,1146 32.285,1147 15.707,1148 2.18,1149 6.712,1150 27.773,1151 3.437,1152 17.141,1153 21.973,1154 0.043,1155 34.718,1156 16.858,1157 2.17,1158 6.711,1159 29.67,1160 2.893,1161 18.294,1162 23.476,1163 0.035,1164 37.137,1165 17.991,1166 28469,1167 38457,1168 30.8,1169 53.495,1170 64.711,1171 65.14,1172 66.165,1173 64.825,1174 64.808,1175 81.861,1176 3.2,1177 182.381,1178 63.197,1179 5.608,1180 5.361,1181 6.599,1182 5.247,1183 5.226,1184 7.564,1185 1.2,1186 18.879,1187 5.162,1188 8.495,1189 1.471,1190 1.48,1191 1.504,1192 1.473,1193 1.473,1194 1.86,1195 0.073,1196 4.145,1197 1.436,1198 4.137,1199 4.169,1200 4.094,1201 4.062,1202 4.99,1203 4.066,1204 4.088,1205 4.118,1206 4.052,1207 4.018,1208 4.954,1209 4.023,1210 3.78,1211 3.855,1212 3.642,1213 3.654,1214 4.418,1215 3.641,1216 3.732,1217 3.781,1218 3.617,1219 3.649,1220 4.411,1221 3.635,1222 3.732,1223 3.78,1224 3.611,1225 3.604,1226 4.339,1227 3.598,1228 3.604,1229 3.682,1230 3.441,1231 3.44,1232 4.231,1233 3.429,1234 3.414,1235 3.503,1236 3.27,1237 3.221,1238 4.15,1239 3.221,1240 3.267,1241 3.333,1242 3.129,1243 3.145,1244 3.979,1245 3.134,1246 0.105,1247 0.076,1248 0.155,1249 0.096,1250 0.073,1251 4.64,1252 0.104,1253 3.361,1254 0.018,1255 6.829,1256 0.258,1257 4.207,1258 0.072,1259 3.226,1260 4.564,1261 0.8,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.436,1269 2.164,1270 2.072,1271 2.046,1272 2.158,1273 2.162,1274 1.435,1275 2.163,1276 1.755,1277 1.709,1278 1.993,1279 1.959,1280 1.321,1281 1.975,1282 1.754,1283 1.709,1284 1.95,1285 1.873,1286 1.207,1287 1.902,1288 1.751,1289 1.681,1290 1.948,1291 1.872,1292 1.145,1293 1.901,1294 1.607,1295 1.534,1296 1.871,1297 1.807,1298 1.13,1299 1.833,1300 1.384,1301 1.305,1302 1.664,1303 1.637,1304 0.861,1305 1.651,1306 1.272,1307 1.215,1308 1.508,1309 1.451,1310 0.759,1311 1.475,1312 4.489,1314 5.796,1316 7.321,1318 8.957,1320 10.657,1322 2.268,1328 17.47,1329 7.649,1333 2.492,1340 49.116,1341 103.407,1342 255.203,1343 345.261,1344 406.564,1345 432.564,1346 436.564,1347 54.679,1348 8.948,1349 53.08,1350 53.08,1351 36,1352 12.974,1353 4.524,1354 3.585,1355 55.761,1356 246,1357 152,1358 0.107,1359 297.247,1360 507.6,1361 717.043,1362 151120,1364 26.443,1365 0.678,1366 0.604,1367 26.443,1368 23.567,1369 19.276,1370 0.438,1371 0.347,1372 15.144,1373 18.904,1374 14.801,1375 12.261,1376 19.276,1377 15.25,1378 16.66,1379 0.278,1380 0.192,1381 16.66,1382 11.49,1383 14.501,1384 0.175,1385 0.104,1386 14.501,1387 8.625,1388 12.706,1389 0.111,1390 0.057,1391 12.706,1392 6.543,1393 11.062,1394 0.072,1395 0.033,1396 11.062,1397 4.983,1398 0.178,1399 118.078,1400 0.18,1401 36.171,1402 0.268,1403 208,1404 415.601,1405 217.298,1406 418.803,1407 606.36,1408 400,1409 247,1410 469.775,1411 257.824,1412 481.717,1413 713.89,1414 459,1415 10.928}
{0 CHEMBL490060,1 1.253,2 15.725,3 7.702,4 59.313,5 169.636,6 6.304,7 0.489,8 4.505,9 4.647,10 3.944,11 4.073,12 5.385,13 4.008,14 5.106,15 5.314,16 4.283,17 4.501,18 5.903,19 4.4,20 5.421,21 5.686,22 4.396,23 4.663,24 6.155,25 4.537,26 5.444,27 5.705,28 4.353,29 4.674,30 6.189,31 4.535,32 5.487,33 5.752,34 4.282,35 4.712,36 6.173,37 4.546,38 5.55,39 5.83,40 4.162,41 4.719,42 6.18,43 4.514,44 5.567,45 5.881,46 4.013,47 4.623,48 6.14,49 4.39,50 5.418,51 5.742,52 3.946,53 4.457,54 5.984,55 4.245,56 0.105,57 1.244,58 20.598,59 8.326,60 12.237,61 12.161,62 0.239,63 2.107,64 37.759,65 14.241,66 24.117,67 21.287,68 0.37,69 2.698,70 51.759,71 18.467,72 36.955,73 28.164,74 0.491,75 2.776,76 53.282,77 18.72,78 42.725,79 28.49,80 0.417,81 2.817,82 55.022,83 20.617,84 37.224,85 30.839,86 0.353,87 2.876,88 57.932,89 22.941,90 36.603,91 33.873,92 0.374,93 2.784,94 58.796,95 22.629,96 38.899,97 33.783,98 0.38,99 2.404,100 50.917,101 18.781,102 33.954,103 28.368,104 3,105 61,106 0.188,107 0.463,108 0.635,109 0.756,110 0.802,111 0.809,112 3.717,113 1.055,114 -5.59,115 -5.46,116 -5.1,121 41.2,122 1,123 11,127 5,144 8,145 4,146 2,148 4,176 17,180 11,185 6,187 18,192 9,197 5,200 12,206 4,209 3,211 8,214 19,222 1,224 4,227 24,232 4,237 2,239 22,244 5,249 3,251 12,255 1,256 6,264 6,268 1,269 6,273 1,277 10,281 3296,282 28.25,283 28.25,284 28.25,285 28.25,286 28.25,287 25.675,288 31.662,289 17.203,290 28.625,291 22.25,292 22.25,293 22.25,294 22.25,295 22.25,296 18.202,297 36.369,298 8.113,299 22.834,300 5.156,301 3.327,302 2.18,303 1.374,304 1.068,305 1.021,306 4.441,313 1418,314 4.243,318 599.795,322 686.658,325 2.358,326 17.764,329 0.5,330 0.5,331 0.67,332 0.9,333 0.5,334 0.67,335 0.5,336 0.6,337 82.5,338 629,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.8,346 11.348,347 3.162,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 4.564,354 0.4,355 11.348,356 3.162,357 3.914,358 2.801,359 5.982,360 3.524,361 2.532,362 3.437,363 0.4,364 8.37,365 2.512,366 3.914,367 2.668,368 5.982,369 3.524,370 2.532,371 3.437,373 8.37,374 2.512,375 3.527,376 2.668,377 5.382,378 3.398,379 2.475,380 2.893,382 6.808,383 2.284,384 3.522,385 2.355,386 5.381,387 3.134,388 2.18,389 2.893,391 6.711,392 2.077,393 3.467,394 2.351,395 5.302,396 3.126,397 2.173,398 2.473,400 6.707,401 2.068,402 2.939,403 1.809,404 4.116,405 2.652,406 1.672,407 2.142,409 3.59,410 1.637,411 2.939,412 1.744,413 4.116,414 2.53,415 1.552,416 2.142,418 3.458,419 1.517,420 2.722,421 1.558,422 3.966,423 2.507,424 1.516,425 1.745,427 3.329,428 1.501,429 2.641,430 1.508,431 3.948,432 2.438,433 1.46,434 1.678,436 3.329,437 1.423,438 2.569,439 1.442,440 3.7,441 2.345,442 1.347,443 1.585,445 3.208,446 1.343,447 2.502,448 1.428,449 3.633,450 2.345,451 1.347,452 1.502,454 3.056,455 1.343,456 2.486,457 1.35,458 3.594,459 2.242,460 1.247,461 1.485,463 2.902,464 1.24,465 2.464,466 1.35,467 3.594,468 2.242,469 1.247,470 1.463,472 2.902,473 1.24,474 19.5,475 0.488,476 0.616,477 0.015,478 46.25,479 1.156,480 21,481 0.525,482 25.25,483 0.631,484 45.682,485 1.142,486 43.5,487 0.512,488 31.84,489 0.796,490 7.945,491 0.199,492 11.869,493 0.297,494 0.026,496 0.277,501 1.01,502 1.317,503 0.966,504 1.122,505 0.867,506 1.055,507 1.221,508 1.224,509 1.033,510 1.083,511 0.891,512 1.051,513 1.252,514 1.054,515 0.913,516 0.907,517 0.965,518 0.89,519 1.426,520 1.019,521 1.092,522 0.986,523 1.248,524 1.01,525 1.264,526 1.003,527 1.136,528 1.046,529 1.191,530 1.076,531 0.917,532 1.087,533 1.129,534 1.154,535 1.022,536 1.156,537 0.834,538 0.984,539 0.98,540 1.013,541 0.901,542 1.007,543 0.917,544 0.87,545 0.866,546 0.857,547 0.803,548 0.857,549 4.5,550 0.215,551 3.778,552 2.5,553 2.32,554 0.764,555 0.478,556 0.292,557 0.341,558 0.296,559 33037,560 59161,561 2.198,562 52.9,563 12,564 18,567 2,568 4,569 7,570 2,572 1.794,573 2.143,574 3.818,575 0.025,582 106.53,583 1.253,584 3.082,585 4.23,586 5.036,587 5.342,588 5.389,589 3.054,590 4.722,591 5.304,592 4.133,593 3224.04,594 9.316,595 61560.3,600 544.798,601 1.005,602 5.288,603 0.1,604 0.005,605 0.062,606 0.037,607 0.037,608 0.013,609 0.01,610 0.007,611 0.009,612 0.007,613 0.288,614 0.33,615 0.5,616 0.399,617 231.518,618 0.043,619 -0.09,620 0.074,621 0.003,622 0.117,623 0.034,624 -0.033,625 -0.091,626 -0.004,627 -0.039,628 0.098,629 -0.023,630 0.007,631 -0.007,632 0.104,633 0.072,634 0.134,635 0.091,636 -0.02,637 0.053,638 -0.064,639 -0.018,640 -0.033,641 -0.039,642 -0.138,643 0.03,644 -0.133,645 -0.055,646 -0.182,647 -0.087,648 -0.089,649 -0.116,650 -0.155,651 -0.151,652 -0.161,653 -0.157,654 0.004,655 -0.072,656 -0.015,657 -0.046,658 -0.055,659 -0.034,660 0.079,661 0.045,662 0.11,663 0.086,664 0.041,665 0.098,666 0.533,667 1.994,668 0.7,669 44.66,670 0.979,671 1.127,672 4.361,673 19.016,674 0.65,675 3.829,676 4.127,677 4.454,678 4.762,679 5.05,680 5.118,681 5.252,682 5.366,683 5.447,684 5.323,685 9.947,686 0.596,687 535.85,688 3.829,689 5.361,690 6.225,691 7.104,692 7.988,693 8.879,694 9.771,695 10.668,696 11.565,697 12.465,698 5.9,701 1,703 2,708 2,714 4,715 8,716 2,720 6,722 22,734 2,741 85,743 22,744 2,745 45,747 90,748 35,749 18,750 4,751 8,756 6,757 12,763 1,767 8,770 11,772 18,773 17,793 45,794 5,795 2,796 5,802 5,808 0.333,822 2,829 6,833 4,855 1,859 2,864 1,868 40,876 16,877 2,881 1,901 18.667,902 15.267,903 8.972,904 6.125,907 4.599,908 1.513,909 1.016,910 9.028,911 13.567,912 4.043,913 4.635,914 5.283,915 5.922,916 6.543,917 6.875,918 7.256,919 7.602,920 7.903,921 7.723,922 0.9,923 67,924 14.9,926 6.278,927 0.026,929 7.292,931 30.301,933 25.965,936 1.792,937 71.667,941 506.157,942 149.876,943 72.717,948 149.876,949 506.157,950 72.717,951 8.825,952 38.408,953 75.81,954 69.593,955 29.957,957 506.157,959 506.157,960 222.593,964 400.217,965 105.94,968 60.16,969 92.841,970 69.593,972 506.157,973 72.717,974 149.876,977 506.157,978 65.241,979 87.759,980 36.022,981 33.571,982 506.157,983 72.717,984 149.876,986 0.564,987 0.342,988 0.201,989 0.115,990 29,991 11,992 0.133,993 12,994 4,995 1.286,996 5.197,997 393.746,998 0.286,999 28,1000 204.877,1005 27.332,1006 13.213,1007 6.254,1008 4.84,1009 72.717,1010 17.29,1011 9.985,1015 8.267,1017 36.022,1018 728.75,1019 56,1031 83.181,1032 95.796,1034 0.196,1035 0.481,1036 0.66,1037 0.786,1038 0.833,1039 0.841,1040 5.276,1041 1.672,1042 6.176,1043 6.707,1044 4.812,1045 5.323,1046 0.956,1047 6.993,1048 4.762,1049 6.449,1050 1.552,1051 7.725,1052 3.59,1053 4.205,1054 5.13,1055 0.325,1056 7.921,1057 4.123,1058 7.752,1059 1.516,1060 9.386,1061 3.458,1062 6.389,1063 7.577,1064 0.447,1065 11.089,1066 6.29,1067 9.099,1068 1.46,1069 11.117,1070 3.329,1071 6.711,1072 8.321,1073 0.268,1074 12.916,1075 6.587,1076 10.49,1077 1.347,1078 12.896,1079 3.329,1080 8.279,1081 10.207,1082 0.252,1083 15.587,1084 8.14,1085 11.912,1086 1.347,1087 14.707,1088 3.208,1089 9.053,1090 11.374,1091 0.188,1092 17.765,1093 8.893,1094 13.357,1095 1.247,1096 16.54,1097 3.056,1098 10.368,1099 13.039,1100 0.158,1101 20.277,1102 10.193,1103 3.226,1104 1.247,1105 18.39,1106 2.902,1107 11.358,1108 14.399,1109 0.125,1110 22.599,1111 11.164,1112 3.226,1113 11.348,1114 20.252,1115 2.902,1116 12.574,1117 15.975,1118 0.103,1119 25.057,1120 12.364,1121 2.532,1122 11.348,1123 22.124,1124 4.564,1125 13.662,1126 17.421,1127 0.082,1128 27.439,1129 13.433,1130 2.532,1131 8.37,1132 24.003,1133 4.564,1134 14.843,1135 18.961,1136 0.067,1137 29.878,1138 14.596,1139 2.475,1140 8.37,1141 25.889,1142 3.437,1143 15.976,1144 20.447,1145 0.054,1146 32.286,1147 15.709,1148 2.18,1149 6.808,1150 27.78,1151 3.437,1152 17.146,1153 21.973,1154 0.043,1155 34.718,1156 16.86,1157 2.173,1158 6.711,1159 29.675,1160 2.893,1161 18.298,1162 23.476,1163 0.035,1164 37.137,1165 17.993,1166 29812,1167 40066,1168 31.493,1169 55.256,1170 65.669,1171 66.319,1172 67.619,1173 65.912,1174 65.884,1175 82.931,1176 3.2,1177 185.092,1178 64.244,1179 5.608,1180 5.361,1181 6.6,1182 5.247,1183 5.226,1184 7.564,1185 1.2,1186 18.879,1187 5.162,1188 8.846,1189 1.459,1190 1.474,1191 1.503,1192 1.465,1193 1.464,1194 1.843,1195 0.071,1196 4.113,1197 1.428,1198 4.137,1199 4.17,1200 4.094,1201 4.062,1202 4.99,1203 4.066,1204 4.088,1205 4.118,1206 4.052,1207 4.018,1208 4.954,1209 4.023,1210 3.797,1211 3.872,1212 3.66,1213 3.655,1214 4.417,1215 3.643,1216 3.732,1217 3.781,1218 3.617,1219 3.649,1220 4.411,1221 3.635,1222 3.732,1223 3.78,1224 3.615,1225 3.62,1226 4.336,1227 3.615,1228 3.606,1229 3.684,1230 3.444,1231 3.445,1232 4.231,1233 3.433,1234 3.47,1235 3.557,1236 3.306,1237 3.281,1238 4.16,1239 3.273,1240 3.294,1241 3.37,1242 3.14,1243 3.159,1244 3.981,1245 3.147,1246 0.103,1247 0.075,1248 0.152,1249 0.093,1250 0.072,1251 4.64,1252 0.101,1253 3.361,1254 0.018,1255 6.829,1256 0.252,1257 4.207,1258 0.07,1259 3.226,1260 4.564,1261 0.8,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.436,1269 2.164,1270 2.072,1271 2.046,1272 2.158,1273 2.162,1274 1.435,1275 2.163,1276 1.768,1277 1.71,1278 2.004,1279 1.973,1280 1.334,1281 1.988,1282 1.754,1283 1.709,1284 1.95,1285 1.873,1286 1.21,1287 1.902,1288 1.753,1289 1.696,1290 1.948,1291 1.872,1292 1.147,1293 1.902,1294 1.611,1295 1.538,1296 1.876,1297 1.81,1298 1.131,1299 1.837,1300 1.467,1301 1.383,1302 1.777,1303 1.697,1304 0.985,1305 1.726,1306 1.3,1307 1.236,1308 1.562,1309 1.507,1310 0.782,1311 1.535,1312 4.511,1314 5.814,1316 7.338,1318 8.973,1320 10.672,1322 2.299,1328 18.678,1329 7.691,1333 2.617,1340 50.643,1341 106.53,1342 262.012,1343 359.521,1344 428.043,1345 454.043,1346 458.043,1347 57.08,1348 8.968,1349 53.08,1350 53.08,1351 36,1352 12.988,1353 4.524,1354 3.585,1355 57.775,1356 248,1357 162,1358 0.109,1359 306.84,1360 524.9,1361 740.449,1362 153203,1364 27.15,1365 0.679,1366 0.607,1367 27.15,1368 24.274,1369 19.814,1370 0.44,1371 0.352,1372 15.724,1373 19.441,1374 15.386,1375 12.736,1376 19.814,1377 15.826,1378 16.829,1379 0.276,1380 0.191,1381 16.829,1382 11.621,1383 14.909,1384 0.175,1385 0.105,1386 14.909,1387 8.942,1388 12.995,1389 0.112,1390 0.058,1391 12.995,1392 6.767,1393 11.266,1394 0.073,1395 0.033,1396 11.266,1397 5.151,1398 0.18,1399 121.221,1400 0.178,1401 36.788,1402 0.275,1403 212,1404 419.601,1405 221.631,1406 422.235,1407 613.42,1408 404,1409 252,1410 477.127,1411 262.991,1412 486.954,1413 723.86,1414 466,1415 9.79}
{0 CHEMBL490264,1 1.24,2 14.775,3 8.67,4 75.169,5 167.139,6 6.754,7 0.609,8 4.435,9 4.563,10 3.943,11 4.064,12 5.374,13 4.006,14 5.011,15 5.192,16 4.302,17 4.498,18 5.877,19 4.409,20 5.328,21 5.568,22 4.407,23 4.652,24 6.131,25 4.537,26 5.339,27 5.58,28 4.35,29 4.632,30 6.148,31 4.506,32 5.349,33 5.588,34 4.276,35 4.652,36 6.116,37 4.508,38 5.418,39 5.677,40 4.174,41 4.671,42 6.112,43 4.488,44 5.428,45 5.722,46 4.091,47 4.608,48 6.079,49 4.412,50 5.262,51 5.546,52 4.102,53 4.507,54 5.975,55 4.341,56 0.086,57 1.088,58 17.507,59 7.532,60 11.27,61 10.599,62 0.171,63 1.887,64 32.25,65 13.42,66 21.078,67 19.12,68 0.292,69 2.529,70 46.046,71 17.899,72 36.054,73 25.995,74 0.389,75 2.592,76 46.88,77 17.517,78 41.712,79 25.547,80 0.342,81 2.581,82 47.174,83 18.045,84 36.517,85 26.206,86 0.287,87 2.639,88 50.606,89 21.079,90 34.654,91 30.283,92 0.295,93 2.588,94 52.021,95 21.651,96 37.809,97 31.241,98 0.254,99 2.21,100 43.725,101 18.575,102 35.612,103 26.661,105 64,106 0.187,107 0.478,108 0.621,109 0.73,110 0.76,111 0.76,112 3.717,113 0.991,114 -6.34,115 -6.18,116 -5.74,121 46.2,123 10,127 2,144 12,145 6,146 2,148 4,176 24,180 8,185 6,187 28,192 8,197 6,200 19,206 4,209 2,211 12,214 19,224 8,227 24,232 2,237 4,239 32,244 2,251 32,256 4,260 1,264 36,269 4,277 32,281 3106,282 28.275,283 28.275,284 28.275,285 28.275,286 28.275,287 24.976,288 27.178,289 17.016,290 28.498,291 22.822,292 22.822,293 22.822,294 22.822,295 22.822,296 17.676,297 27.27,298 8.107,299 23.201,300 5.045,301 3.123,302 2.175,303 1.457,304 1.256,305 1.256,306 4.452,313 1354,314 3.464,318 668.008,322 628.29,325 2.292,326 18.022,329 0.5,330 0.5,331 0.67,332 0.6,333 0.5,334 0.67,335 1,336 0.63,337 82,338 591,339 4.64,340 3.361,341 6.829,342 4.207,343 3.227,344 4.564,345 0.4,346 11.348,347 3.162,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 4.564,354 0.4,355 11.348,356 3.162,357 4.071,358 2.893,359 5.982,360 3.695,361 2.696,362 3.671,364 8.37,365 2.693,366 3.914,367 2.67,368 5.982,369 3.524,370 2.532,371 3.437,373 8.37,374 2.512,375 3.914,376 2.667,377 5.598,378 3.524,379 2.532,380 3.437,382 7.741,383 2.512,384 3.528,385 2.459,386 5.382,387 3.181,388 2.214,389 2.894,391 6.716,392 2.15,393 3.519,394 2.342,395 5.38,396 3.122,397 2.168,398 2.892,400 6.708,401 2.067,402 3.376,403 2.294,404 4.986,405 3.055,406 2.072,407 2.625,409 5.955,410 2.027,411 2.938,412 1.7,413 4.116,414 2.52,415 1.536,416 2.142,418 3.412,419 1.511,420 2.938,421 1.659,422 4.116,423 2.516,424 1.528,425 2.142,427 3.37,428 1.508,429 2.72,430 1.484,431 3.939,432 2.37,433 1.39,434 1.805,436 3.329,437 1.361,438 2.615,439 1.458,440 3.925,441 2.345,442 1.347,443 1.652,445 3.329,446 1.343,447 2.609,448 1.419,449 3.624,450 2.345,451 1.347,452 1.647,454 2.985,455 1.343,456 2.49,457 1.351,458 3.596,459 2.242,460 1.247,461 1.49,463 2.902,464 1.24,465 2.49,466 1.35,467 3.594,468 2.242,469 1.247,470 1.49,472 2.902,473 1.24,474 19.6,475 0.49,476 0.684,477 0.017,478 52,479 1.3,480 27,481 0.675,482 25,483 0.625,484 40.2,485 1.005,486 41,487 0.526,488 37.595,489 0.94,490 9.304,491 0.233,492 10.527,493 0.263,496 0.306,501 0.97,502 1.11,503 0.881,504 0.971,505 0.827,506 0.93,507 1.007,508 1.181,509 0.973,510 1.064,511 0.864,512 1.025,513 1.177,514 1.095,515 0.921,516 0.955,517 1.033,518 0.928,519 1.449,520 1.102,521 1.087,522 1.026,523 1.245,524 1.033,525 1.572,526 1.063,527 1.215,528 1.077,529 1.326,530 1.115,531 0.94,532 1.051,533 1.136,534 1.133,535 1.007,536 1.145,537 0.743,538 0.833,539 0.916,540 0.91,541 0.823,542 0.922,543 0.53,544 0.764,545 0.781,546 0.82,547 0.638,548 0.817,549 5,550 0.14,551 3.778,552 2.625,553 2.302,554 0.778,555 0.599,556 0.406,557 0.239,558 0.285,559 32260,560 60505,561 2.259,562 48.7,563 12,564 16,567 2,568 4,569 4,572 1.796,573 2.222,574 3.762,582 96.723,583 1.24,584 3.162,585 4.11,586 4.829,587 5.029,588 5.029,589 3.023,590 3.634,591 5.303,592 4.048,593 3157.62,594 9.327,595 57948,600 490.261,601 0.881,602 5.295,603 0.109,604 0.003,605 0.059,606 0.038,607 0.037,608 0.013,609 0.012,610 0.008,611 0.005,612 0.006,613 0.29,614 0.33,615 0.63,617 229.011,618 0.015,619 -0.001,620 0.07,621 0.047,622 0.1,623 0.059,624 0.015,625 -0.117,626 -0.006,627 -0.062,628 0.078,629 -0.04,630 0.037,631 -0.061,632 0.074,633 0.018,634 0.062,635 0.043,636 -0.009,637 -0.038,638 -0.08,639 -0.074,640 -0.057,641 -0.08,642 -0.266,643 -0.013,644 -0.218,645 -0.113,646 -0.277,647 -0.153,648 -0.113,649 -0.086,650 -0.16,651 -0.134,652 -0.146,653 -0.147,654 0.002,655 0.091,656 0.068,657 0.091,658 0.035,659 0.085,660 0.154,661 0.162,662 0.197,663 0.189,664 0.22,665 0.195,666 0.572,667 1.996,668 0.85,669 44.385,670 0.98,671 1.116,672 5.114,673 26.151,674 0.679,675 3.85,676 4.174,677 4.511,678 4.836,679 5.13,680 5.198,681 5.352,682 5.493,683 5.602,684 5.58,685 9.312,686 0.629,687 526.78,688 3.85,689 5.398,690 6.271,691 7.16,692 8.048,693 8.945,694 9.84,695 10.74,696 11.637,697 12.539,698 5.1,703 2,708 2,714 4,715 12,716 2,720 8,722 28,734 2,741 78,743 28,744 3,745 46,747 84,748 36,749 24,750 6,751 12,756 7,757 13,767 8,770 10,772 24,773 12,793 38,794 4,795 2,796 4,802 4,808 0.429,822 2,829 7,833 4,859 3,868 40,876 12,877 2,901 18,902 13.9,903 8.722,904 5.381,907 5.985,908 1.627,909 1.057,910 7.294,911 15.537,912 4.111,913 4.749,914 5.408,915 6.051,916 6.662,917 6.961,918 7.341,919 7.71,920 8.052,921 8.057,922 1,923 69,924 14.866,926 6.404,927 0.026,929 7.325,931 29.998,933 26.111,936 1.825,937 73,941 423.76,942 176.475,943 69.593,948 176.475,949 423.76,950 69.593,952 29.557,953 113.715,954 69.593,955 33.203,957 423.76,959 423.76,960 246.068,964 376.675,965 47.084,968 39.358,969 137.117,970 69.593,972 423.76,973 69.593,974 176.475,977 423.76,978 62.76,979 113.715,980 36.022,981 33.571,982 423.76,983 69.593,984 176.475,986 0.573,987 0.346,988 0.206,989 0.118,990 33,991 12,992 0.095,993 8,994 4,995 1.235,996 5.173,997 413.352,998 0.235,999 34,1000 174.877,1005 25.388,1006 11.492,1007 5.3,1008 4.745,1009 69.593,1010 26.348,1011 9.991,1015 10.886,1017 36.022,1018 669.827,1019 60,1031 76.428,1032 87.052,1034 0.197,1035 0.503,1036 0.654,1037 0.768,1038 0.8,1039 0.8,1040 5.347,1041 2.072,1042 6.232,1043 6.708,1044 4.86,1045 5.438,1046 0.495,1047 7.059,1048 4.826,1049 6.545,1050 1.536,1051 7.787,1052 5.955,1053 4.29,1054 5.247,1056 7.978,1057 4.24,1058 7.857,1059 1.528,1060 9.448,1061 3.412,1062 6.45,1063 7.715,1064 0.097,1065 11.143,1066 6.383,1067 9.211,1068 1.39,1069 11.178,1070 3.37,1071 6.781,1072 8.42,1074 12.951,1075 6.694,1076 10.603,1077 1.347,1078 12.952,1079 3.329,1080 8.344,1081 10.324,1082 0.016,1083 15.619,1084 8.242,1085 12.023,1086 1.347,1087 14.758,1088 3.329,1089 9.113,1090 11.45,1092 17.786,1093 8.99,1094 13.464,1095 1.247,1096 16.585,1097 2.985,1098 10.426,1099 13.124,1100 0.003,1101 20.294,1102 10.287,1103 3.227,1104 1.247,1105 18.429,1106 2.902,1107 11.408,1108 14.455,1110 22.61,1111 11.246,1112 3.226,1113 11.348,1114 20.286,1115 2.902,1116 12.622,1117 16.032,1119 25.065,1120 12.442,1121 2.696,1122 11.348,1123 22.153,1124 4.564,1125 13.703,1126 17.461,1128 27.445,1129 13.5,1130 2.532,1131 8.37,1132 24.028,1133 4.564,1134 14.881,1135 18.999,1137 29.882,1138 14.658,1139 2.532,1140 8.37,1141 25.91,1142 3.671,1143 16.008,1144 20.474,1146 32.289,1147 15.762,1148 2.214,1149 7.741,1150 27.798,1151 3.437,1152 17.174,1153 21.997,1155 34.72,1156 16.908,1157 2.168,1158 6.716,1159 29.691,1160 3.437,1161 18.323,1162 23.494,1164 37.139,1165 18.033,1166 28584,1167 39308,1168 32.591,1169 52.967,1170 68.432,1171 68.947,1172 69.533,1173 68.466,1174 68.494,1175 89.874,1176 1.6,1177 195.92,1178 67.325,1179 5.587,1180 5.361,1181 6.515,1182 5.247,1183 5.227,1184 7.564,1185 0.8,1186 18.879,1187 5.162,1189 1.488,1190 1.499,1191 1.512,1192 1.488,1193 1.489,1194 1.954,1195 0.035,1196 4.259,1197 1.464,1198 4.141,1199 4.173,1200 4.097,1201 4.067,1202 4.992,1203 4.07,1204 4.088,1205 4.118,1206 4.052,1207 4.018,1208 4.954,1209 4.023,1210 3.941,1211 3.972,1212 3.872,1213 3.889,1214 4.726,1215 3.881,1216 3.733,1217 3.782,1218 3.618,1219 3.651,1220 4.411,1221 3.637,1222 3.731,1223 3.78,1224 3.617,1225 3.649,1226 4.41,1227 3.635,1228 3.548,1229 3.624,1230 3.404,1231 3.389,1232 4.227,1233 3.382,1234 3.427,1235 3.504,1236 3.291,1237 3.257,1238 4.19,1239 3.254,1240 3.233,1241 3.29,1242 3.105,1243 3.127,1244 3.978,1245 3.114,1246 0.101,1247 0.073,1248 0.148,1249 0.091,1250 0.07,1251 4.64,1252 0.099,1253 3.361,1254 0.009,1255 6.829,1256 0.247,1257 4.207,1258 0.069,1259 3.227,1260 4.564,1261 0.4,1262 11.348,1263 3.162,1264 2.073,1265 2.048,1266 2.161,1267 2.165,1268 1.435,1269 2.165,1270 2.071,1271 2.046,1272 2.158,1273 2.162,1274 1.434,1275 2.162,1276 1.947,1277 1.919,1278 2.073,1279 2.026,1280 1.291,1281 2.044,1282 1.754,1283 1.709,1284 1.949,1285 1.873,1286 1.162,1287 1.902,1288 1.754,1289 1.709,1290 1.949,1291 1.872,1292 1.143,1293 1.902,1294 1.542,1295 1.474,1296 1.791,1297 1.745,1298 1.064,1299 1.765,1300 1.409,1301 1.339,1302 1.651,1303 1.621,1304 0.814,1305 1.636,1306 1.243,1307 1.192,1308 1.465,1309 1.39,1310 0.755,1311 1.413,1312 4.533,1314 5.855,1316 7.396,1318 9.042,1320 10.746,1328 13.358,1329 7.672,1340 49.041,1341 96.723,1342 246.673,1343 320.613,1344 376.652,1345 392.261,1346 392.261,1347 51.684,1348 9.552,1349 49.84,1350 49.84,1351 42,1352 13.06,1353 4.858,1354 3.907,1355 52.663,1356 233,1357 156,1358 0.108,1359 293.462,1360 500.02,1361 707.807,1362 294962,1364 26.727,1365 0.668,1366 0.583,1367 26.727,1368 23.308,1369 19.832,1370 0.431,1371 0.33,1372 15.129,1373 19.573,1374 14.815,1375 12.217,1376 19.832,1377 15.199,1378 17.393,1379 0.272,1380 0.179,1381 17.393,1382 11.446,1383 15.473,1384 0.172,1385 0.097,1386 15.473,1387 8.761,1388 13.851,1389 0.111,1390 0.054,1391 13.851,1392 6.753,1393 12.092,1394 0.072,1395 0.031,1396 12.092,1397 5.174,1398 0.175,1399 120.715,1400 0.175,1401 36.392,1402 0.279,1403 220,1404 441.956,1405 227.549,1406 450.152,1407 656.38,1408 430,1409 264,1410 513.014,1411 272.659,1412 527.094,1413 781.86,1414 504,1415 8.764}
{0 CHEMBL490338,1 1.402,2 10.848,3 5.31,4 28.2,5 132.818,6 7.09,7 0.486,8 4.215,9 4.331,10 3.745,11 3.807,12 5.285,13 3.77,14 4.751,15 4.916,16 4.124,17 4.224,18 5.763,19 4.161,20 5.024,21 5.223,22 4.274,23 4.405,24 5.966,25 4.332,26 5.116,27 5.305,28 4.35,29 4.454,30 6.204,31 4.385,32 5.223,33 5.434,34 4.337,35 4.495,36 6.257,37 4.415,38 5.231,39 5.448,40 4.289,41 4.485,42 6.278,43 4.382,44 5.233,45 5.476,46 4.088,47 4.432,48 6.124,49 4.295,50 5.164,51 5.425,52 3.986,53 4.349,54 5.981,55 4.195,56 0.063,57 0.852,58 13.309,59 5.947,60 12.582,61 7.835,62 0.249,63 1.41,64 24.175,65 10.387,66 26.808,67 14.036,68 0.23,69 1.833,70 32.943,71 13.073,72 29.907,73 17.997,74 0.423,75 2.023,76 36.281,77 13.705,78 57.285,79 18.729,80 0.423,81 2.192,82 41.607,83 14.88,84 64.467,85 20.374,86 0.545,87 2.197,88 41.911,89 15.48,90 78.651,91 21.568,92 0.416,93 2.137,94 42.939,95 16.024,96 58.503,97 22.262,98 0.282,99 1.943,100 40.231,101 16.089,102 42.912,103 22.581,104 20,105 53,106 0.224,107 0.592,108 0.752,109 0.821,110 0.854,111 0.854,112 3.533,113 0.946,114 -5.42,115 -5.3,116 -4.95,121 45.2,122 2,123 4,124 1,127 1,138 1,141 1,144 9,145 5,146 1,148 1,149 1,158 1,165 1,166 1,167 1,176 20,179 1,180 8,183 1,185 3,187 27,189 2,192 5,197 3,200 25,203 2,205 1,206 10,208 2,209 3,211 8,214 23,216 4,219 8,224 5,227 21,229 3,231 1,232 9,234 1,235 2,236 1,237 6,238 1,239 24,241 3,244 4,249 3,251 21,253 1,256 6,261 5,264 18,266 2,269 7,274 5,277 13,279 2,281 2070,282 22.698,283 22.698,284 22.698,285 22.698,286 22.698,287 19.996,288 22.34,289 13.407,290 22.963,291 18.237,292 18.237,293 18.237,294 18.237,295 18.237,296 14.172,297 26.162,298 6.26,299 18.585,300 4.552,301 2.247,302 1.239,303 0.811,304 0.605,305 0.605,306 4.241,312 1,313 787,314 3.24,318 388.143,322 236.983,325 1.456,326 28.337,329 0.75,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.86,337 69.5,338 358,339 4.717,340 3.794,341 7.192,342 4.394,343 3.408,344 4.381,345 1.36,346 12.665,347 3.361,348 4.343,349 3.256,350 6.601,351 3.979,352 2.992,353 3.919,354 1.216,355 10.405,356 2.952,357 4.228,358 2.977,359 6.147,360 3.849,361 2.851,362 3.793,363 0.986,364 9.057,365 2.846,366 3.859,367 2.831,368 6.05,369 3.501,370 2.51,371 3.314,373 8.452,374 2.488,375 3.725,376 2.757,377 5.719,378 3.334,379 2.363,380 3.086,382 7.615,383 2.299,384 3.495,385 2.425,386 5.301,387 3.076,388 2.114,389 2.814,391 6.377,392 2.024,393 3.263,394 2.201,395 4.853,396 2.84,397 1.852,398 2.563,400 5.101,401 1.835,402 3.162,403 1.972,404 4.631,405 2.807,406 1.839,407 2.283,409 4.727,410 1.769,411 2.717,412 1.709,413 4.363,414 2.444,415 1.451,416 1.786,418 3.867,419 1.439,420 2.506,421 1.481,422 3.863,423 2.368,424 1.391,425 1.504,427 3.075,428 1.357,429 2.5,430 1.458,431 3.654,432 2.108,433 1.119,434 1.5,436 2.686,437 1.105,438 2.5,439 1.257,440 3.507,441 2,442 1,443 1.5,445 2.389,446 1,447 2.464,448 1.103,449 3.414,450 2,451 1,452 1.452,454 2.275,455 1,456 2.112,457 1,458 3.393,459 1.957,460 1,461 1.067,463 2.136,464 0.952,465 1.965,466 1,467 3.247,468 1.812,469 0.845,470 0.916,472 1.591,473 0.812,474 15.867,475 0.481,476 0.764,477 0.023,478 42.5,479 1.288,480 22,481 0.667,482 20.5,483 0.621,484 32.783,485 0.993,486 34.533,487 0.557,488 33.728,489 1.022,490 7.997,491 0.242,492 8.083,493 0.245,494 0.109,496 0.378,501 0.939,502 1.071,503 0.85,504 0.969,505 1.035,506 0.909,507 0.68,508 1.047,509 0.819,510 0.972,511 0.55,512 0.924,513 0.991,514 1.06,515 0.87,516 0.932,517 0.854,518 0.893,519 1.139,520 1.126,521 1.024,522 1.063,523 1.235,524 1.033,525 1.529,526 1.047,527 1.086,528 0.959,529 1.528,530 0.965,531 1.081,532 1.082,533 1.094,534 1.077,535 1.033,536 1.081,537 1.262,538 0.978,539 1.162,540 1.034,541 1.31,542 1.075,543 0.807,544 0.977,545 0.949,546 1.028,547 0.85,548 1.012,549 5,550 0.178,551 3.778,552 2.938,553 2.747,554 1.785,555 1.088,556 0.7,557 0.444,558 0.331,559 14017,560 30906,561 2.131,562 46.8,563 7,564 11,567 3,568 5,569 3,572 1.761,573 2,574 3.341,575 0.742,582 86.918,583 1.402,584 3.707,585 4.716,586 5.143,587 5.349,588 5.349,589 2.815,590 4.62,591 5.01,592 3.53,593 1863.67,594 8.827,595 26322.5,600 369.16,601 1.393,602 4.979,603 0.135,604 0.006,605 0.071,606 0.048,607 0.044,608 0.029,609 0.019,610 0.015,611 0.011,612 0.009,613 0.386,614 0.17,615 0.88,616 0.98,617 170.721,618 -0.063,619 0.043,620 0.04,621 0.065,622 -0.124,623 0.065,624 0.197,625 0.003,626 0.105,627 0.05,628 0.152,629 0.062,630 -0.039,631 -0.017,632 0.085,633 0.062,634 -0.049,635 0.082,636 0.076,637 -0.051,638 -0.049,639 -0.097,640 0.059,641 -0.091,642 -0.179,643 0.004,644 -0.084,645 -0.005,646 -0.137,647 -0.027,648 0.091,649 -0.044,650 -0.106,651 -0.115,652 0.125,653 -0.129,654 -0.162,655 0.012,656 -0.167,657 -0.063,658 -0.209,659 -0.104,660 0.011,661 -0.049,662 0.031,663 -0.026,664 -0.009,666 1.765,667 4.879,668 0.788,669 32.975,670 0.991,671 1.118,672 4.19,673 17.559,674 0.675,675 3.638,676 3.989,677 4.344,678 4.691,679 5.004,680 5.165,681 5.371,682 5.595,683 5.753,684 5.811,685 6.41,686 0.635,687 439.6,688 3.638,689 5.198,690 6.084,691 6.995,692 7.904,693 8.826,694 9.745,695 10.673,696 11.598,697 12.53,698 4.8,702 1,707 1,708 1,715 9,716 1,720 8,722 18,733 1,741 62,743 20,744 2,745 37,747 66,748 28,749 17,750 3,751 9,752 3,756 5,757 8,763 2,767 4,768 1,770 4,772 20,773 8,774 1,777 2,785 1,786 3,793 29,794 5,795 3,796 5,802 3,808 0.6,809 2,822 1,829 5,833 2,839 1,850 1,857 1,858 1,859 3,864 2,868 33,869 1,875 1,876 5,878 1,880 1,893 3.2,895 1,897 1,901 16.5,902 11.683,903 7.278,904 4.063,907 3.967,908 1.468,909 0.999,910 5.947,911 12.453,912 3.892,913 4.516,914 5.14,915 5.761,916 6.37,917 6.735,918 7.219,919 7.686,920 8.091,921 8.398,922 1,923 61,924 12.256,926 5.307,927 0.026,929 7.581,931 23.845,933 20.232,936 2.081,937 68.667,941 306.049,942 148.399,943 66.468,945 53.683,948 148.399,949 359.732,950 66.468,951 17.65,952 14.731,953 118.183,954 73.226,955 42.432,956 2.328,957 306.049,959 306.049,960 214.867,961 53.683,964 270.735,965 77.997,966 11,968 51.923,969 146.158,970 16.786,972 306.049,973 120.151,974 148.399,977 306.049,978 45.462,979 102.937,981 120.151,982 306.049,983 120.151,984 148.399,986 0.579,987 0.356,988 0.21,989 0.12,990 27,991 12,992 0.061,993 4,994 2,995 1.154,996 4.192,997 334.592,998 0.154,999 26,1000 158.465,1005 21.727,1006 9.032,1007 3.934,1009 120.151,1010 18.73,1011 4.933,1015 7.807,1017 75.581,1018 574.599,1019 48,1027 4.768,1028 1.257,1031 61.447,1032 69.311,1034 0.235,1035 0.623,1036 0.792,1037 0.864,1038 0.898,1039 0.898,1040 5.15,1041 1.839,1042 6.08,1043 5.101,1044 4.673,1045 5.204,1046 2.161,1047 6.961,1048 4.639,1049 6.369,1050 1.451,1051 7.677,1052 4.727,1053 4.29,1054 5.017,1055 1.06,1056 8.007,1057 4.249,1058 7.697,1059 1.391,1060 9.382,1061 3.867,1062 6.319,1063 7.417,1064 2.408,1065 11.19,1066 6.26,1067 9.062,1068 1.119,1069 11.15,1070 3.075,1071 6.792,1072 8.052,1073 1.679,1074 13.095,1075 6.727,1076 10.462,1077 1,1078 12.961,1079 2.686,1080 8.284,1081 9.919,1082 2.762,1083 15.81,1084 8.204,1085 11.886,1086 1,1087 14.8,1088 2.389,1089 9.151,1090 10.942,1091 2.248,1092 18.071,1093 9.062,1094 13.329,1095 1,1096 16.659,1097 2.275,1098 10.44,1099 12.58,1100 3.184,1101 20.642,1102 10.339,1103 3.408,1104 0.845,1105 18.535,1106 2.136,1107 11.489,1108 13.805,1109 2.825,1110 23.055,1111 11.375,1112 2.992,1113 12.665,1114 20.424,1115 1.591,1116 12.707,1117 15.338,1118 3.653,1119 25.585,1120 12.581,1121 2.851,1122 10.405,1123 22.323,1124 4.381,1125 13.839,1126 16.669,1127 3.415,1128 28.064,1129 13.699,1130 2.51,1131 9.057,1132 24.231,1133 3.919,1134 15.038,1135 18.156,1136 4.154,1137 30.587,1138 14.884,1139 2.363,1140 8.452,1141 26.146,1142 3.793,1143 16.208,1144 19.544,1145 4.015,1146 33.095,1147 16.04,1148 2.114,1149 7.615,1150 28.068,1151 3.314,1152 17.405,1153 21.012,1154 4.679,1155 35.62,1156 17.224,1157 1.852,1158 6.377,1159 29.995,1160 3.086,1161 18.595,1162 22.432,1163 4.622,1164 38.142,1165 18.399,1166 13168,1167 19696,1168 24.967,1169 41.824,1170 56.272,1171 56.257,1172 58.367,1173 55.652,1174 55.657,1175 71.968,1176 7.124,1177 165.313,1178 54.654,1179 5.662,1180 5.794,1181 6.994,1182 5.448,1183 5.408,1184 7.381,1185 2.576,1186 20.359,1187 5.361,1188 14.71,1189 1.521,1190 1.52,1191 1.577,1192 1.504,1193 1.504,1194 1.945,1195 0.193,1196 4.468,1197 1.477,1198 4.103,1199 4.131,1200 4.064,1201 4.034,1202 6.473,1203 4.037,1204 3.957,1205 3.986,1206 3.903,1207 3.896,1208 5.124,1209 3.895,1210 3.799,1211 3.834,1212 3.723,1213 3.725,1214 4.845,1215 3.718,1216 3.678,1217 3.714,1218 3.601,1219 3.577,1220 4.779,1221 3.578,1222 3.517,1223 3.575,1224 3.377,1225 3.324,1226 4.592,1227 3.327,1228 3.381,1229 3.453,1230 3.224,1231 3.223,1232 4.517,1233 3.21,1234 3.182,1235 3.242,1236 3.059,1237 3.02,1238 4.362,1239 3.019,1240 3.105,1241 3.193,1242 2.924,1243 2.93,1244 3.971,1245 2.915,1246 0.127,1247 0.103,1248 0.194,1249 0.119,1250 0.092,1251 4.717,1252 0.118,1253 3.794,1254 0.037,1255 7.192,1256 0.342,1257 4.394,1258 0.091,1259 3.408,1260 4.381,1261 1.36,1262 12.665,1263 3.361,1264 2.047,1265 2.025,1266 2.133,1267 2.137,1268 1.427,1269 2.135,1270 1.957,1271 1.929,1272 2.074,1273 2.037,1274 1.279,1275 2.051,1276 1.802,1277 1.769,1278 1.949,1279 1.912,1280 1.118,1281 1.925,1282 1.664,1283 1.629,1284 1.825,1285 1.796,1286 0.94,1287 1.807,1288 1.482,1289 1.421,1290 1.783,1291 1.72,1292 0.893,1293 1.742,1294 1.381,1295 1.317,1296 1.617,1297 1.576,1298 0.773,1299 1.594,1300 1.155,1301 1.097,1302 1.453,1303 1.376,1304 0.722,1305 1.389,1306 1.118,1307 1.035,1308 1.379,1309 1.353,1310 0.564,1311 1.377,1312 4.317,1314 5.659,1316 7.223,1318 8.894,1320 10.624,1322 3.756,1326 6.801,1327 10.879,1328 4.475,1330 5.557,1332 -0.298,1340 39.342,1341 86.918,1342 229.86,1343 292.366,1344 318.896,1345 331.65,1346 331.65,1347 56.956,1348 8.485,1349 80.73,1350 80.73,1351 30,1352 13.032,1353 4.392,1354 3.585,1355 47.426,1356 118,1357 156,1358 0.187,1359 238.563,1360 420,1361 573.854,1362 59770,1364 22.949,1365 0.695,1366 0.58,1367 22.949,1368 19.136,1369 16.08,1370 0.435,1371 0.315,1372 11.573,1373 15.707,1374 11.251,1375 9.322,1376 16.08,1377 11.662,1378 14.347,1379 0.271,1380 0.163,1381 14.347,1382 8.665,1383 12.699,1384 0.167,1385 0.087,1386 12.699,1387 6.639,1388 11.494,1389 0.106,1390 0.047,1391 11.494,1392 5.041,1393 9.63,1394 0.065,1395 0.025,1396 9.63,1397 3.732,1398 0.284,1399 99.069,1400 0.2,1401 29.953,1402 0.544,1403 180,1404 436.488,1405 191.057,1406 432.474,1407 613.41,1408 408,1409 219,1410 470.964,1411 229.645,1412 480.348,1413 713.84,1414 456,1415 7.149}
{0 CHEMBL490359,1 1.487,2 9.103,3 3.776,4 14.255,5 114.145,6 7.027,7 0.375,8 4.119,9 4.235,10 3.633,11 3.642,12 5.197,13 3.618,14 4.667,15 4.841,16 4.007,17 4.05,18 5.683,19 4.002,20 4.9,21 5.092,22 4.17,23 4.239,24 5.867,25 4.186,26 5.014,27 5.197,28 4.252,29 4.314,30 6.125,31 4.258,32 5.137,33 5.353,34 4.235,35 4.364,36 6.171,37 4.291,38 5.141,39 5.356,40 4.214,41 4.355,42 6.213,43 4.267,44 5.152,45 5.387,46 4.014,47 4.301,48 6.077,49 4.177,50 5.105,51 5.369,52 3.856,53 4.167,54 5.998,55 4.005,56 0.044,57 0.789,58 12.488,59 5.388,60 12.064,61 7.078,62 0.285,63 1.272,64 23.247,65 9.172,66 29.426,67 12.399,68 0.234,69 1.609,70 29.65,71 10.988,72 29.721,73 15.283,74 0.406,75 1.807,76 33.333,77 11.88,78 55.365,79 16.502,80 0.411,81 1.961,82 38.841,83 13.01,84 62.067,85 18.509,86 0.525,87 1.946,88 38.872,89 13.44,90 75.401,91 19.153,92 0.402,93 1.88,94 39.929,95 13.929,96 56.662,97 19.726,98 0.652,99 1.672,100 39.129,101 14.09,102 64.677,103 20.224,104 32,105 46,106 0.245,107 0.618,108 0.815,109 0.845,110 0.856,111 0.856,112 3.41,113 0.948,114 -4.12,115 -4.06,116 -3.84,121 41.1,122 2,123 4,124 1,126 1,127 1,138 1,141 1,144 4,145 3,146 2,148 1,149 1,158 1,165 1,166 1,167 1,176 11,179 1,180 10,183 1,185 3,187 15,189 2,192 7,197 3,200 13,203 2,205 1,206 11,208 2,209 3,211 8,214 12,216 4,219 9,224 5,227 10,229 3,231 1,232 11,234 1,235 2,236 1,237 6,238 1,239 16,241 3,244 1,249 1,251 12,255 3,256 5,258 1,259 2,261 3,264 10,266 1,269 2,274 1,277 3,281 1398,282 19.792,283 19.792,284 19.792,285 19.792,286 19.792,287 17.778,288 26.653,289 11.553,290 20.236,291 15.676,292 15.676,293 15.676,294 15.676,295 15.676,296 12.528,297 30.813,298 5.284,299 16.215,300 4.32,301 2.057,302 0.862,303 0.683,304 0.612,305 0.612,306 4.104,311 1,312 1,313 566,314 3.317,318 248.046,322 199.141,325 1.17,326 29.637,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 62.5,338 264,339 4.717,340 3.794,341 7.192,342 4.394,343 3.408,344 4.381,345 1.36,346 12.665,347 3.361,348 4.339,349 3.256,350 6.601,351 3.975,352 2.989,353 3.856,354 1.216,355 10.404,356 2.946,357 4.026,358 2.98,359 6.056,360 3.603,361 2.627,362 3.59,363 0.986,364 8.468,365 2.568,366 3.756,367 2.818,368 5.745,369 3.412,370 2.435,371 3.1,372 0.86,373 7.727,374 2.375,375 3.614,376 2.74,377 5.342,378 3.206,379 2.265,380 2.912,382 6.768,383 2.125,384 3.381,385 2.412,386 5.238,387 3.023,388 2.06,389 2.65,391 6.251,392 1.976,393 3.164,394 2.197,395 4.85,396 2.808,397 1.848,398 2.282,400 5.093,401 1.769,402 2.583,403 1.832,404 4.504,405 2.433,406 1.443,407 1.583,409 4.006,410 1.427,411 2.5,412 1.489,413 3.864,414 2.339,415 1.376,416 1.5,418 3.074,419 1.319,420 2.48,421 1.465,422 3.654,423 2,424 1,425 1.477,427 2.431,428 1,429 2.114,430 1.259,431 3.414,432 1.96,433 1,434 1.067,436 2.275,437 0.956,438 1.995,439 1.049,440 3.408,441 1.848,442 0.896,443 0.952,445 1.621,446 0.846,447 1.638,448 1,449 3.113,450 1.373,451 0.497,452 0.549,454 0.781,455 0.431,456 1.33,457 0.511,458 2.851,459 1.049,460 0.09,461 0.104,463 0.233,464 0.086,465 1.058,466 0.241,467 2.735,468 0.859,469 -0.101,470 -0.112,472 -0.258,473 -0.096,474 13.7,475 0.472,476 0.713,477 0.025,478 35,479 1.207,480 16.5,481 0.569,482 18.5,483 0.638,484 29.538,485 1.019,486 31.9,487 0.57,488 27.381,489 0.944,490 6.608,491 0.228,492 7.437,493 0.256,494 0.163,496 0.401,501 0.942,502 1.217,503 0.858,504 1.098,505 1.027,506 0.983,507 0.871,508 1.035,509 0.797,510 0.93,511 0.599,512 0.871,513 1.01,514 1.116,515 0.865,516 0.948,517 0.875,518 0.892,519 1.05,520 1.185,521 1.038,522 1.106,523 1.229,524 1.072,525 1.212,526 1.077,527 1.046,528 0.973,529 1.423,530 0.971,531 0.955,532 1.108,533 1.057,534 1.092,535 0.983,536 1.083,537 1.115,538 1.071,539 1.166,540 1.131,541 1.257,542 1.145,543 0.615,544 0.977,545 0.946,546 1.088,547 0.711,548 1.077,549 5,550 0.074,551 3.333,552 2.75,553 2.836,554 1.708,555 1.01,556 0.715,557 0.345,558 0.196,559 8846,560 21064,561 2.07,562 48.2,563 7,564 9,567 3,568 5,569 3,572 1.731,573 1.912,574 3.115,575 0.857,577 1,582 83.278,583 1.487,584 3.75,585 4.945,586 5.124,587 5.195,588 5.195,589 2.555,590 4.487,591 4.824,592 3.277,593 1330.48,594 8.472,595 16977.1,597 1,599 1,600 325.212,601 1.487,602 4.777,603 0.156,604 0.007,605 0.072,606 0.051,607 0.051,608 0.031,609 0.019,610 0.017,611 0.01,612 0.009,613 0.425,614 0.33,615 1,616 1.206,617 142.256,618 -0.067,619 -0.022,620 0.042,621 0.014,622 -0.116,623 0.043,624 0.1,625 0.047,626 0.149,627 0.127,628 0.146,629 0.139,630 -0.078,631 -0.027,632 0.086,633 0.079,634 -0.058,635 0.102,636 0.005,637 -0.064,638 -0.074,639 -0.104,640 0.02,641 -0.105,642 -0.155,643 -0.009,644 -0.064,645 0.001,646 -0.134,647 -0.011,648 0.047,649 -0.047,650 -0.084,651 -0.11,652 0.121,653 -0.115,654 -0.135,655 -0.068,656 -0.189,657 -0.151,658 -0.199,659 -0.169,660 0.284,661 -0.07,662 0.034,663 -0.103,664 0.151,665 -0.077,666 1.78,667 4.722,668 0.69,669 24.421,670 0.998,671 1.127,672 2.886,673 8.328,674 0.652,675 3.497,676 3.85,677 4.205,678 4.554,679 4.875,680 5.056,681 5.242,682 5.451,683 5.557,684 5.537,685 5.53,686 0.617,687 393.53,688 3.497,689 5.056,690 5.943,691 6.858,692 7.77,693 8.698,694 9.622,695 10.556,696 11.486,697 12.423,698 5.4,702 1,707 1,708 1,715 4,716 1,720 7,722 12,733 1,739 1,741 56,743 14,744 1,745 32,747 59,748 23,749 11,750 2,751 4,752 3,756 4,757 7,763 2,767 4,768 1,770 4,772 14,773 9,774 1,777 2,785 1,786 3,790 1,793 27,794 6,795 3,796 6,802 3,808 0.5,809 3,822 1,829 4,833 2,839 1,850 1,857 1,858 1,859 2,864 3,868 29,869 1,875 1,876 5,878 2,880 1,893 5.4,895 1,897 1,898 1,901 15.167,902 10.933,903 6.5,904 3.597,907 2.904,908 1.366,909 0.965,910 5.616,911 10.836,912 3.714,913 4.331,914 4.942,915 5.553,916 6.162,917 6.553,918 6.998,919 7.448,920 7.792,921 7.993,922 1,923 54,924 10.767,926 4.611,927 0.026,929 7.655,931 20.776,933 17.328,936 2.155,937 62.5,939 1,940 1,941 282.506,942 110.773,943 66.468,945 64.683,948 110.773,949 347.19,950 66.468,951 28.533,952 14.731,953 70.802,954 73.226,955 52.304,956 2.328,957 282.506,959 282.506,960 177.241,961 64.683,964 247.193,965 88.997,966 11,968 51.923,969 108.532,970 16.786,972 282.506,973 131.151,974 110.773,977 282.506,978 44.334,979 66.438,981 131.151,982 282.506,983 131.151,984 110.773,986 0.579,987 0.359,988 0.21,989 0.121,990 23,991 11,992 0.068,993 4,994 2,995 1.2,996 3.769,997 278.362,998 0.2,999 20,1000 134.881,1005 19.931,1006 8.172,1007 3.537,1009 131.151,1010 7.801,1011 4.877,1015 6.163,1017 75.581,1018 524.43,1019 40,1027 4.712,1028 1.207,1031 55.891,1032 63.106,1034 0.256,1035 0.646,1036 0.852,1037 0.882,1038 0.895,1039 0.895,1040 4.984,1041 1.443,1042 5.948,1043 5.093,1044 4.533,1045 5.017,1046 2.318,1047 6.841,1048 4.477,1049 6.206,1050 1.376,1051 7.555,1052 4.006,1053 4.205,1054 4.924,1055 1.06,1056 7.912,1057 4.141,1058 7.542,1059 1,1060 9.267,1061 3.074,1062 6.192,1063 7.235,1064 2.502,1065 11.093,1066 6.101,1067 8.916,1068 1,1069 11.042,1070 2.431,1071 6.698,1072 7.941,1073 1.679,1074 13.013,1075 6.602,1076 10.323,1077 0.896,1078 12.856,1079 2.275,1080 8.168,1081 9.748,1082 2.812,1083 15.738,1084 8.053,1085 11.753,1086 0.497,1087 14.699,1088 1.621,1089 9.056,1090 10.82,1091 2.248,1092 18.013,1093 8.936,1094 13.201,1095 0.09,1096 16.563,1097 0.781,1098 10.338,1099 12.425,1100 3.209,1101 20.595,1102 10.204,1103 3.408,1104 -0.101,1105 18.443,1106 0.233,1107 11.401,1108 13.682,1109 2.825,1110 23.019,1111 11.259,1112 2.989,1113 12.665,1114 20.337,1115 -0.258,1116 12.621,1117 15.2,1118 3.664,1119 25.558,1120 12.466,1121 2.627,1122 10.404,1123 22.242,1124 4.381,1125 13.764,1126 16.553,1127 3.415,1128 28.043,1129 13.599,1130 2.435,1131 8.468,1132 24.155,1133 3.856,1134 14.967,1135 18.034,1136 4.159,1137 30.572,1138 14.79,1139 2.265,1140 7.727,1141 26.077,1142 3.59,1143 16.147,1144 19.439,1145 4.015,1146 33.083,1147 15.957,1148 2.06,1149 6.768,1150 28.005,1151 3.1,1152 17.35,1153 20.906,1154 4.682,1155 35.612,1156 17.148,1157 1.848,1158 6.251,1159 29.938,1160 2.912,1161 18.547,1162 22.339,1163 4.622,1164 38.135,1165 18.332,1166 8634,1167 13444,1168 21.096,1169 36.517,1170 48.271,1171 48.784,1172 51.21,1173 47.807,1174 47.867,1175 60.008,1176 8.844,1177 143.593,1178 46.37,1179 5.662,1180 5.794,1181 6.961,1182 5.447,1183 5.408,1184 7.381,1185 2.576,1186 20.359,1187 5.361,1188 15.235,1189 1.508,1190 1.524,1191 1.6,1192 1.494,1193 1.496,1194 1.875,1195 0.276,1196 4.487,1197 1.449,1198 4.091,1199 4.12,1200 4.054,1201 4.01,1202 6.473,1203 4.016,1204 3.883,1205 3.912,1206 3.819,1207 3.805,1208 5.124,1209 3.804,1210 3.726,1211 3.759,1212 3.655,1213 3.607,1214 4.869,1215 3.612,1216 3.519,1217 3.577,1218 3.379,1219 3.325,1220 4.78,1221 3.328,1222 3.381,1223 3.454,1224 3.225,1225 3.223,1226 4.523,1227 3.21,1228 3.272,1229 3.331,1230 3.127,1231 3.044,1232 4.377,1233 3.053,1234 3.15,1235 3.224,1236 2.994,1237 2.939,1238 4.341,1239 2.934,1240 3.096,1241 3.178,1242 2.898,1243 2.88,1244 3.971,1245 2.872,1246 0.147,1247 0.119,1248 0.225,1249 0.137,1250 0.107,1251 4.717,1252 0.137,1253 3.794,1254 0.043,1255 7.192,1256 0.396,1257 4.394,1258 0.105,1259 3.408,1260 4.381,1261 1.36,1262 12.665,1263 3.361,1264 2.033,1265 2.008,1266 2.122,1267 2.133,1268 1.427,1269 2.13,1270 1.877,1271 1.848,1272 2.015,1273 1.981,1274 1.259,1275 1.992,1276 1.696,1277 1.663,1278 1.848,1279 1.852,1280 0.964,1281 1.851,1282 1.482,1283 1.421,1284 1.788,1285 1.724,1286 0.93,1287 1.745,1288 1.381,1289 1.317,1290 1.621,1291 1.577,1292 0.773,1293 1.596,1294 1.218,1295 1.155,1296 1.566,1297 1.512,1298 0.722,1299 1.53,1300 1.128,1301 1.05,1302 1.453,1303 1.367,1304 0.595,1305 1.389,1306 1.095,1307 1.016,1308 1.368,1309 1.35,1310 0.533,1311 1.365,1312 4.174,1314 5.517,1316 7.084,1318 8.762,1320 10.501,1322 5.359,1326 6.712,1327 10.722,1328 4.458,1330 10.796,1332 -0.306,1340 34.53,1341 83.278,1342 210.018,1343 276.947,1344 286.947,1345 290.947,1346 290.947,1347 53.717,1348 7.932,1349 89.96,1350 89.96,1351 24,1352 12.922,1353 3.907,1354 3.17,1355 44.126,1356 90,1357 122,1358 0.234,1359 210.773,1360 373.47,1361 506.047,1362 28325,1364 20.543,1365 0.708,1366 0.592,1367 20.543,1368 17.158,1369 14.045,1370 0.439,1371 0.316,1372 9.983,1373 13.515,1374 9.671,1375 8.027,1376 14.045,1377 10.113,1378 12.463,1379 0.271,1380 0.162,1381 12.463,1382 7.45,1383 11.035,1384 0.167,1385 0.087,1386 11.035,1387 5.737,1388 9.869,1389 0.105,1390 0.046,1391 9.869,1392 4.338,1393 8.203,1394 0.063,1395 0.025,1396 8.203,1397 3.216,1398 0.349,1399 87.978,1400 0.218,1401 26.539,1402 0.71,1403 156,1404 424.223,1405 169.936,1406 407.258,1407 569,1408 384,1409 190,1410 429.509,1411 203.303,1412 434.759,1413 644.96,1414 410,1415 7.444}
{0 CHEMBL490360,1 1.532,2 14,3 4.753,4 22.59,5 120.04,6 7.645,7 0.545,8 4.094,9 4.194,10 3.675,11 3.624,12 5.293,13 3.611,14 4.599,15 4.757,16 3.984,17 3.98,18 5.816,19 3.959,20 4.774,21 4.921,22 4.096,23 4.144,24 5.964,25 4.095,26 4.983,27 5.199,28 4.038,29 4.148,30 6.106,31 4.077,32 4.908,33 5.105,34 3.934,35 4.123,36 6.028,37 4.033,38 4.92,39 5.163,40 3.813,41 4.075,42 5.946,43 3.942,44 4.787,45 5.028,46 3.757,47 3.92,48 5.842,49 3.826,50 4.621,51 4.802,52 3.646,53 3.794,54 5.821,55 3.727,56 0.136,57 0.736,58 10.496,59 5.161,60 8.554,61 6.348,62 0.407,63 1.146,64 20.436,65 8.048,66 52.735,67 10.01,68 0.279,69 1.371,70 23.028,71 10.283,72 28.651,73 12.954,74 0.521,75 1.57,76 33.233,77 12.011,78 76.503,79 15.781,80 0.592,81 1.479,82 29.836,83 11.372,84 68.786,85 14.621,86 0.566,87 1.466,88 31.831,89 12.16,90 73.365,91 16.859,92 0.468,93 1.268,94 28.261,95 10.096,96 61.88,97 13.718,98 0.478,99 1.054,100 22.839,101 8.294,102 80.076,103 10.094,104 46,105 45,106 0.251,107 0.535,108 0.679,109 0.798,110 0.827,111 0.844,112 3.471,113 0.88,114 -4.96,115 -4.86,116 -4.56,121 43.6,126 3,127 2,144 11,145 4,146 3,159 1,168 2,176 13,179 1,180 8,187 13,191 1,192 18,200 10,206 13,214 8,218 2,219 6,227 11,231 3,232 3,239 11,243 1,244 6,251 9,256 9,264 6,269 9,277 4,281 1618,282 20.756,283 20.756,284 20.756,285 20.756,286 20.756,287 18.252,288 24.252,289 12.125,290 21.231,291 16.121,292 16.121,293 16.121,294 16.121,295 16.121,296 12.223,297 31.141,298 5.552,299 16.66,300 4.249,301 2.513,302 1.633,303 0.905,304 0.732,305 0.623,306 4.151,311 1,312 1,313 907,314 4.062,318 361.366,325 2.323,326 34.483,329 1,330 1,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.88,337 68,338 434,339 4.398,340 3.78,341 6.429,342 4.04,343 3.037,344 4.036,345 2.612,346 9.852,347 3.057,348 4.279,349 3.589,350 6.099,351 3.813,352 2.838,353 3.977,354 0.995,355 8.828,356 2.767,357 4.13,358 3.161,359 5.981,360 3.731,361 2.767,362 3.717,363 0.86,364 8.509,365 2.656,366 3.854,367 3.035,368 5.548,369 3.544,370 2.579,371 3.235,372 0.86,373 7.513,374 2.487,375 3.732,376 2.685,377 5.312,378 3.306,379 2.324,380 3.173,381 0.359,382 6.745,383 2.274,384 3.359,385 2.272,386 5.122,387 2.989,388 2.014,389 2.628,391 6.034,392 1.959,393 3.096,394 2.196,395 4.612,396 2.743,397 1.78,398 2.219,400 4.872,401 1.705,402 2.919,403 1.981,404 4.373,405 2.521,406 1.609,407 2.057,409 4.128,410 1.461,411 2.818,412 1.861,413 3.762,414 2.306,415 1.312,416 1.879,418 2.987,419 1.303,420 2.585,421 1.731,422 3.708,423 2,424 1,425 1.584,427 2.338,428 1,429 2.509,430 1.181,431 3.436,432 2,433 1,434 1.5,436 2.322,437 1,438 2.5,439 1.051,440 3.414,441 1.985,442 0.958,443 1.375,445 2.275,446 0.971,447 1.865,448 1,449 3.024,450 1.53,451 0.613,452 0.744,454 1.122,455 0.555,456 1.452,457 1,458 2.917,459 1.183,460 0.328,461 0.359,463 0.44,464 0.278,465 1.293,466 0.934,467 2.58,468 1.021,469 0.038,470 0.045,472 0.1,473 0.037,474 14.467,475 0.467,476 0.767,477 0.025,478 42.75,479 1.379,480 23.5,481 0.758,482 19.25,483 0.621,484 22.687,485 0.732,486 33.533,487 0.61,488 35.497,489 1.145,490 9.027,491 0.291,492 5.879,493 0.19,494 0.173,496 0.332,501 0.554,502 1.21,503 0.733,504 1.103,505 0.517,506 0.985,507 0.975,508 0.841,509 0.851,510 0.782,511 0.524,512 0.776,513 0.719,514 1.326,515 0.969,516 1.295,517 0.6,518 1.204,519 1.026,520 1.021,521 0.967,522 0.987,523 1.048,524 0.967,525 0.981,526 1.011,527 1.156,528 1.083,529 0.929,530 1.142,531 0.537,532 0.986,533 0.918,534 1.041,535 0.746,536 1.063,537 0.843,538 0.857,539 0.879,540 0.89,541 0.872,542 0.889,543 1.477,544 1.05,545 1.258,546 1.036,547 1.739,548 1.1,549 7,550 0.178,551 3.556,552 2.313,553 1.738,554 1.125,555 0.728,556 0.314,557 0.312,558 0.239,559 13895,560 43615,561 1.993,562 43.6,564 24,572 1.731,573 1.842,574 3.77,575 -0.767,582 84.287,583 1.532,584 3.268,585 4.148,586 4.876,587 5.049,588 5.158,589 3.268,590 4.632,591 4.926,592 3.96,593 1841.38,594 8.57,595 27921.2,597 1,600 317.975,601 1.492,602 4.869,603 0.212,604 0.008,605 0.079,606 0.048,607 0.039,608 0.029,609 0.021,610 0.01,611 0.011,612 0.009,613 0.466,614 0.17,615 1,616 0.944,617 165.178,618 0.134,619 -0.061,620 0.061,621 -0.046,622 -0.008,623 -0.023,624 -0.053,625 0.244,626 0.055,627 0.22,628 0.123,629 0.179,630 0.04,631 -0.267,632 -0.105,633 -0.26,634 0.064,635 -0.222,636 -0.094,637 -0.042,638 0.016,639 -0.008,640 -0.055,641 0.023,642 -0.068,643 -0.009,644 -0.204,645 -0.091,646 -0.082,647 -0.161,648 0.147,649 -0.042,650 0.051,651 -0.037,652 0.021,653 -0.021,654 -0.002,655 0.097,656 0.12,657 0.091,658 -0.002,659 0.126,660 -0.271,661 -0.091,662 -0.265,663 -0.05,664 -0.31,665 -0.144,666 2.391,667 5.814,668 0.581,669 36.071,670 1.01,671 1.12,672 3.728,673 13.9,674 0.667,675 3.526,676 3.829,677 4.06,678 4.248,679 4.431,680 4.443,681 4.533,682 4.489,683 4.511,684 4.595,685 8.269,686 0.644,687 420.5,688 3.526,689 5.056,690 5.889,691 6.749,692 7.595,693 8.457,694 9.308,695 10.17,696 11.023,697 11.885,698 3.6,701 1,709 1,715 11,720 7,722 18,727 1,735 1,739 2,741 55,743 21,744 3,745 33,747 57,748 24,749 18,750 7,751 11,752 1,756 3,757 3,772 19,773 5,777 3,779 1,782 3,786 1,793 24,794 6,796 7,802 2,808 1,809 5,829 3,855 1,859 3,864 3,868 31,876 2,878 2,881 1,893 9.1,896 1,898 2,899 2,901 16.833,902 10.9,903 7.028,904 2.968,907 3.333,908 1.449,909 0.946,910 7.399,911 10.753,912 3.829,913 4.413,914 4.947,915 5.446,916 5.964,917 6.1,918 6.398,919 6.455,920 6.734,921 7.104,922 1,923 48,924 11.428,926 4.743,927 0.026,929 7.962,931 21.346,933 16.751,936 2.462,937 76.333,940 1,941 282.506,942 169.732,943 8.794,945 97.892,948 169.732,949 380.398,950 8.794,951 35.833,952 4.211,953 104.239,954 30.278,955 51.11,957 282.506,958 50.747,959 282.506,960 178.526,961 97.892,964 282.506,965 47.145,966 50.747,968 7.336,969 165.521,970 5.67,972 282.506,973 106.686,974 169.732,977 282.506,978 35.331,979 143.196,981 97.892,982 282.506,983 106.686,984 169.732,986 0.576,987 0.341,988 0.176,989 0.093,990 19,991 10,992 0.158,993 9,995 1,996 4.232,997 260.539,999 18,1000 147.58,1005 22.477,1006 10.205,1007 5.691,1009 101.016,1010 19.153,1015 4.178,1018 558.924,1019 45,1021 -0.391,1024 34.691,1028 -0.1,1031 55.56,1032 61.611,1034 0.265,1035 0.565,1036 0.717,1037 0.843,1038 0.873,1039 0.892,1040 5.047,1041 1.609,1042 5.872,1043 4.872,1044 4.511,1045 5.1,1046 2.845,1047 6.65,1048 4.459,1049 6.255,1050 1.312,1051 7.42,1052 4.128,1053 4.111,1054 4.924,1055 2.396,1056 7.496,1057 4.043,1058 7.559,1059 1,1060 9.063,1061 2.987,1062 6.084,1063 7.278,1064 4.21,1065 10.532,1066 5.997,1067 8.897,1068 1,1069 10.759,1070 2.338,1071 6.463,1072 7.874,1073 4.514,1074 12.148,1075 6.363,1076 10.262,1077 0.958,1078 12.488,1079 2.322,1080 7.915,1081 9.72,1082 5.955,1083 14.698,1084 7.805,1085 11.646,1086 0.613,1087 14.24,1088 2.275,1089 8.648,1090 10.672,1091 6.557,1092 16.645,1093 8.53,1094 13.045,1095 0.328,1096 16.007,1097 1.122,1098 9.883,1099 12.295,1100 7.795,1101 19.014,1102 9.76,1103 3.037,1104 0.038,1105 17.786,1106 0.44,1107 10.789,1108 13.432,1109 8.548,1110 21.116,1111 10.663,1112 2.838,1113 9.852,1114 19.575,1115 0.1,1116 11.929,1117 14.942,1118 9.67,1119 23.415,1120 11.803,1121 2.767,1122 8.828,1123 21.37,1124 4.036,1125 12.921,1126 16.181,1127 10.509,1128 25.594,1129 12.796,1130 2.579,1131 8.509,1132 23.173,1133 3.977,1134 14.022,1135 17.633,1136 11.563,1137 27.866,1138 13.9,1139 2.324,1140 7.513,1141 24.98,1142 3.717,1143 15.056,1144 18.93,1145 12.452,1146 30.086,1147 14.939,1148 2.014,1149 6.745,1150 26.792,1151 3.235,1152 16.142,1153 20.349,1154 13.468,1155 32.35,1156 16.031,1157 1.78,1158 6.034,1159 28.607,1160 3.173,1161 17.199,1162 21.681,1163 14.386,1164 34.592,1165 17.096,1166 13651,1167 24333,1168 21.383,1169 36.659,1170 48.813,1171 51.312,1172 51.113,1173 48.333,1174 48.395,1175 65.06,1176 11.372,1177 136.132,1178 47.019,1179 5.268,1180 5.78,1181 5.982,1182 5.051,1183 5.037,1184 7.036,1185 4.612,1186 16.683,1187 5.057,1188 18.643,1189 1.479,1190 1.555,1191 1.549,1192 1.465,1193 1.467,1194 1.972,1195 0.345,1196 4.125,1197 1.425,1198 4.035,1199 4.06,1200 3.987,1201 3.952,1202 7.815,1203 3.954,1204 3.971,1205 3.99,1206 3.932,1207 3.869,1208 7.427,1209 3.874,1210 3.855,1211 3.877,1212 3.797,1213 3.777,1214 6.999,1215 3.778,1216 3.594,1217 3.649,1218 3.529,1219 3.338,1220 4.924,1221 3.36,1222 3.428,1223 3.464,1224 3.355,1225 3.12,1226 4.724,1227 3.168,1228 3.305,1229 3.348,1230 3.194,1231 3.013,1232 4.671,1233 3.071,1234 3.247,1235 3.314,1236 3.051,1237 2.952,1238 4.496,1239 2.96,1240 3.088,1241 3.144,1242 2.921,1243 2.889,1244 4.266,1245 2.885,1246 0.133,1247 0.115,1248 0.195,1249 0.122,1250 0.092,1251 4.398,1252 0.122,1253 3.78,1254 0.079,1255 6.429,1256 0.299,1257 4.04,1258 0.093,1259 3.037,1260 4.036,1261 2.612,1262 9.852,1263 3.057,1264 1.974,1265 1.955,1266 2.073,1267 2.098,1268 1.239,1269 2.079,1270 1.931,1271 1.906,1272 2.028,1273 2.049,1274 1.149,1275 2.039,1276 1.836,1277 1.816,1278 1.94,1279 1.949,1280 1.059,1281 1.944,1282 1.493,1283 1.426,1284 1.726,1285 1.775,1286 0.85,1287 1.748,1288 1.25,1289 1.218,1290 1.576,1291 1.607,1292 0.584,1293 1.545,1294 1.192,1295 1.143,1296 1.568,1297 1.524,1298 0.574,1299 1.539,1300 1.188,1301 1.115,1302 1.381,1303 1.515,1304 0.534,1305 1.523,1306 1.071,1307 1.008,1308 1.341,1309 1.281,1310 0.494,1311 1.303,1312 4.205,1314 5.509,1316 7.008,1318 8.588,1320 10.209,1322 5.028,1328 1.224,1330 10.491,1333 2.06,1340 35.412,1341 84.287,1342 179.762,1343 228.147,1344 268.2,1345 277.71,1346 283.71,1347 71.317,1348 7.42,1349 84.59,1350 84.59,1351 18,1352 12.436,1353 4.459,1354 3.7,1355 58.683,1356 158,1357 132,1358 0.182,1359 220.175,1360 390.89,1361 528.987,1362 17971,1364 22.38,1365 0.722,1366 0.571,1367 22.38,1368 17.701,1369 14.905,1370 0.452,1371 0.293,1372 9.508,1373 14.18,1374 9.165,1375 7.705,1376 14.905,1377 9.685,1378 13.163,1379 0.293,1380 0.16,1381 13.163,1382 7.195,1383 10.845,1384 0.19,1385 0.086,1386 10.845,1387 4.888,1388 8.599,1389 0.125,1390 0.049,1391 8.599,1392 3.353,1393 6.654,1394 0.08,1395 0.026,1396 6.654,1397 2.182,1398 0.297,1399 94.836,1400 0.216,1401 29.809,1402 0.471,1403 156,1404 533.968,1405 171.786,1406 505.537,1407 666.75,1408 468,1409 180,1410 471.853,1411 196.733,1412 479.554,1413 685.53,1414 442,1415 5.37}
{0 CHEMBL490507,1 1.371,2 13.071,3 4.859,4 23.605,5 112.715,6 7.085,7 0.6,8 4.037,9 4.145,10 3.563,11 3.602,12 5.142,13 3.568,14 4.549,15 4.722,16 3.853,17 3.95,18 5.565,19 3.901,20 4.721,21 4.882,22 3.959,23 4.103,24 5.796,25 4.024,26 4.905,27 5.137,28 3.885,29 4.097,30 5.904,31 3.993,32 4.842,33 5.054,34 3.785,35 4.08,36 5.852,37 3.959,38 4.836,39 5.092,40 3.672,41 4.039,42 5.739,43 3.878,44 4.73,45 4.992,46 3.583,47 3.869,48 5.671,49 3.735,50 4.455,51 4.65,52 3.478,53 3.721,54 5.488,55 3.617,56 0.021,57 0.673,58 11.117,59 5.184,60 8.638,61 6.665,62 0.219,63 1.088,64 20.597,65 8.001,66 20.386,67 10.414,68 0.204,69 1.277,70 23.796,71 10.272,72 28.894,73 13.518,74 0.281,75 1.486,76 31.024,77 11.755,78 48.038,79 15.918,80 0.401,81 1.393,82 28.803,83 11.199,84 50.879,85 14.955,86 0.247,87 1.385,88 28.699,89 11.973,90 40.861,91 16.802,92 0.306,93 1.202,94 26.78,95 10.292,96 47.12,97 14.125,98 0.177,99 0.935,100 19.176,101 7.712,102 32.032,103 10.09,104 21,105 40,106 0.228,107 0.493,108 0.635,109 0.758,110 0.8,111 0.812,112 3.374,113 0.919,114 -5.18,115 -5.07,116 -4.75,121 45.3,126 3,127 2,144 12,145 4,146 2,159 1,176 15,180 6,187 15,191 1,192 12,200 11,206 9,214 8,218 1,219 4,227 11,231 1,232 3,239 12,243 1,244 5,251 11,256 5,264 8,269 3,277 5,281 1254,282 19.102,283 19.102,284 19.102,285 19.102,286 19.102,287 16.874,288 19.298,289 11.363,290 19.52,291 14.67,292 14.67,293 14.67,294 14.67,295 14.67,296 11.242,297 24.081,298 5.231,299 15.13,300 4.356,301 2.757,302 1.902,303 1.166,304 0.911,305 0.835,306 4.056,311 1,312 1,313 772,314 3.606,318 322.298,325 2.148,326 20.104,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 59.5,338 366,339 4.398,340 3.589,341 6.429,342 4.04,343 3.037,344 4.036,345 0.995,346 9.852,347 3.057,348 4.131,349 3.161,350 6.099,351 3.739,352 2.776,353 3.717,354 0.86,355 8.827,356 2.665,357 3.939,358 3.035,359 5.579,360 3.627,361 2.659,362 3.456,363 0.86,364 7.66,365 2.573,366 3.81,367 2.676,368 5.364,369 3.438,370 2.442,371 3.22,372 0.359,373 7,374 2.424,375 3.367,376 2.24,377 5.133,378 3.029,379 2.064,380 2.631,382 6.065,383 1.988,384 3.109,385 2.192,386 4.63,387 2.79,388 1.82,389 2.246,391 4.959,392 1.757,393 2.919,394 1.964,395 4.373,396 2.521,397 1.609,398 2.057,400 4.128,401 1.461,402 2.786,403 1.823,404 3.722,405 2.381,406 1.39,407 1.868,409 2.998,410 1.375,411 2.509,412 1.486,413 3.564,414 2,415 1,416 1.5,418 2.336,419 1,420 2.5,421 1.051,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1,431 3.247,432 1.985,433 0.958,434 1.375,436 2.136,437 0.971,438 1.865,439 1,440 3.021,441 1.53,442 0.613,443 0.744,445 1.122,446 0.555,447 1.452,448 0.934,449 2.871,450 1.183,451 0.328,452 0.359,454 0.44,455 0.278,456 1.293,457 0.402,458 2.571,459 1.021,460 0.038,461 0.045,463 0.098,464 0.037,465 1.002,466 0.083,467 2.397,468 0.708,469 -0.275,470 -0.324,472 -0.627,473 -0.268,474 13.4,475 0.479,476 0.571,477 0.02,478 37.5,479 1.339,480 20.5,481 0.732,482 17,483 0.607,484 20.529,485 0.733,486 29.8,487 0.562,488 29.046,489 1.037,490 8,491 0.286,492 5.601,493 0.2,494 0.137,496 0.291,501 0.767,502 1.243,503 0.823,504 1.121,505 0.624,506 1.001,507 1.324,508 0.809,509 0.95,510 0.773,511 0.803,512 0.792,513 0.796,514 1.301,515 1.027,516 1.255,517 0.798,518 1.186,519 1.113,520 1.023,521 0.975,522 0.978,523 1.299,524 0.957,525 1.131,526 1.021,527 1.167,528 1.038,529 1.223,530 1.095,531 0.384,532 1.041,533 0.893,534 1.082,535 0.548,536 1.06,537 0.932,538 0.813,539 0.851,540 0.83,541 1.325,542 0.835,543 1.259,544 1.141,545 1.151,546 1.131,547 1.47,548 1.132,549 5.5,550 0.149,551 2.889,552 1.875,553 1.467,554 0.889,555 0.606,556 0.252,557 0.213,558 0.189,559 10604,560 26436,561 2.034,562 47.2,564 25,572 1.705,573 1.909,574 3.665,575 -0.848,582 72.689,583 1.371,584 2.97,585 3.826,586 4.562,587 4.817,588 4.893,589 3.111,590 4.352,591 4.777,592 3.837,593 1450.26,594 8.276,595 20134.7,597 1,600 303.58,601 1.379,602 4.74,603 0.183,604 0.008,605 0.072,606 0.045,607 0.039,608 0.026,609 0.02,610 0.009,611 0.009,612 0.009,613 0.42,614 0.33,615 1,616 0.845,617 143.824,618 0.013,619 -0.145,620 0.058,621 -0.077,622 -0.03,623 -0.017,624 -0.173,625 0.275,626 0.018,627 0.207,628 -0.059,629 0.155,630 0.108,631 -0.271,632 -0.1,633 -0.24,634 0.103,635 -0.206,636 -0.061,637 -0.028,638 0.02,639 -0.012,640 -0.014,641 0.012,642 -0.052,643 -0.022,644 -0.187,645 -0.06,646 -0.086,647 -0.128,648 0.18,649 -0.088,650 0.051,651 -0.083,652 0.139,653 -0.04,654 0.038,655 0.124,656 0.152,657 0.146,658 -0.008,659 0.159,660 -0.134,661 -0.157,662 -0.176,663 -0.139,664 -0.163,665 -0.162,666 1.704,667 5.782,668 0.643,669 31.184,670 0.994,671 1.115,672 3.949,673 15.594,674 0.67,675 3.434,676 3.714,677 3.951,678 4.143,679 4.317,680 4.304,681 4.394,682 4.394,683 4.382,684 4.489,685 7.587,686 0.632,687 375.5,688 3.434,689 4.949,690 5.778,691 6.629,692 7.471,693 8.327,694 9.174,695 10.032,696 10.882,697 11.741,698 1.9,701 1,715 12,720 6,722 18,727 1,739 2,741 53,743 19,744 3,745 30,747 55,748 24,749 18,750 6,751 12,752 1,756 3,757 3,772 19,773 5,777 1,782 1,786 1,793 25,794 4,796 4,802 1,808 1,809 3,829 3,855 1,859 3,864 3,868 28,876 2,878 2,881 1,893 5.7,896 1,898 2,901 14.667,902 10.45,903 6.417,904 2.907,907 3.052,908 1.426,909 0.96,910 6.723,911 10.212,912 3.714,913 4.27,914 4.822,915 5.322,916 5.832,917 5.918,918 6.204,919 6.38,920 6.63,921 7.027,922 0.889,923 42,924 10.328,926 4.205,927 0.026,929 7.667,931 19.816,933 15.574,936 2.167,937 60.667,939 1,940 1,941 294.278,942 176.452,943 3.124,945 47.145,948 176.452,949 341.422,950 3.124,951 30.162,952 4.211,953 113.715,954 30.278,955 48.353,957 294.278,959 294.278,960 179.576,961 47.145,964 294.278,965 47.145,968 7.336,969 172.24,972 294.278,973 50.269,974 176.452,977 294.278,978 32.574,979 147.002,981 47.145,982 294.278,983 50.269,984 176.452,986 0.568,987 0.338,988 0.179,989 0.093,990 17,991 8,992 0.145,993 8,995 1,996 4.043,997 226.071,999 18,1000 126.606,1005 19.968,1006 9.427,1007 5.153,1009 50.269,1010 23.378,1015 4.837,1018 520.998,1019 40,1024 12.782,1028 -0.037,1031 52.687,1032 59.109,1034 0.239,1035 0.519,1036 0.668,1037 0.797,1038 0.841,1039 0.854,1040 4.916,1041 1.39,1042 5.74,1043 4.128,1044 4.394,1045 4.956,1046 1.793,1047 6.5,1048 4.347,1049 6.102,1050 1,1051 7.27,1052 2.998,1053 3.892,1054 4.605,1055 0.325,1056 7.306,1057 3.832,1058 7.386,1059 1,1060 8.898,1061 2.336,1062 5.943,1063 7.091,1064 1.535,1065 10.359,1066 5.866,1067 8.705,1068 0.958,1069 10.583,1070 2.275,1071 6.256,1072 7.539,1073 0.504,1074 11.97,1075 6.172,1076 10.054,1077 0.613,1078 12.305,1079 2.136,1080 7.751,1081 9.485,1082 1.342,1083 14.528,1084 7.659,1085 11.424,1086 0.328,1087 14.052,1088 1.122,1089 8.447,1090 10.32,1091 0.585,1092 16.481,1093 8.354,1094 12.811,1095 0.038,1096 15.816,1097 0.44,1098 9.706,1099 12.012,1100 1.189,1101 18.86,1102 9.609,1103 3.037,1104 -0.275,1105 17.595,1106 0.098,1107 10.593,1108 13.062,1109 0.622,1110 20.973,1111 10.499,1112 2.776,1113 9.852,1114 19.384,1115 -0.627,1116 11.746,1117 14.615,1118 1.066,1119 23.282,1120 11.653,1121 2.659,1122 8.827,1123 21.181,1124 4.036,1125 12.729,1126 15.792,1127 0.639,1128 25.473,1129 12.643,1130 2.442,1131 7.66,1132 22.986,1133 3.717,1134 13.838,1135 17.268,1136 0.969,1137 27.756,1138 13.756,1139 2.064,1140 7,1141 24.797,1142 3.456,1143 14.87,1144 18.522,1145 0.646,1146 29.986,1147 14.798,1148 1.82,1149 6.065,1150 26.613,1151 3.22,1152 15.962,1153 19.954,1154 0.891,1155 32.26,1156 15.898,1157 1.609,1158 4.959,1159 28.434,1160 2.631,1161 17.021,1162 21.257,1163 0.648,1164 34.511,1165 16.968,1166 10329,1167 16446,1168 19.879,1169 35.506,1170 43.906,1171 45.268,1172 45.56,1173 43.407,1174 43.465,1175 57.511,1176 6.147,1177 119.791,1178 42.283,1179 5.264,1180 5.589,1181 6.231,1182 5.043,1183 5.037,1184 7.036,1185 1.855,1186 16.683,1187 5.057,1188 13.961,1189 1.464,1190 1.509,1191 1.519,1192 1.447,1193 1.449,1194 1.917,1195 0.205,1196 3.993,1197 1.409,1198 4.019,1199 4.041,1200 3.97,1201 3.949,1202 7.427,1203 3.95,1204 3.913,1205 3.942,1206 3.844,1207 3.846,1208 4.925,1209 3.841,1210 3.846,1211 3.868,1212 3.785,1213 3.775,1214 4.763,1215 3.775,1216 3.521,1217 3.591,1218 3.409,1219 3.324,1220 4.69,1221 3.335,1222 3.314,1223 3.353,1224 3.21,1225 3.098,1226 4.496,1227 3.119,1228 3.247,1229 3.314,1230 3.051,1231 2.953,1232 4.266,1233 2.961,1234 3.092,1235 3.147,1236 2.925,1237 2.902,1238 4.178,1239 2.895,1240 2.964,1241 3.053,1242 2.769,1243 2.798,1244 3.674,1245 2.779,1246 0.147,1247 0.12,1248 0.214,1249 0.135,1250 0.101,1251 4.398,1252 0.135,1253 3.589,1254 0.033,1255 6.429,1256 0.328,1257 4.04,1258 0.102,1259 3.037,1260 4.036,1261 0.995,1262 9.852,1263 3.057,1264 1.972,1265 1.954,1266 2.074,1267 2.063,1268 1.235,1269 2.067,1270 1.911,1271 1.882,1272 2.03,1273 2.005,1274 1.141,1275 2.013,1276 1.834,1277 1.814,1278 1.941,1279 1.932,1280 1.057,1281 1.937,1282 1.479,1283 1.409,1284 1.725,1285 1.709,1286 0.845,1287 1.718,1288 1.242,1289 1.199,1290 1.576,1291 1.524,1292 0.583,1293 1.54,1294 1.191,1295 1.115,1296 1.568,1297 1.518,1298 0.574,1299 1.532,1300 1.082,1301 1.019,1302 1.374,1303 1.282,1304 0.533,1305 1.303,1306 0.998,1307 0.913,1308 1.331,1309 1.221,1310 0.493,1311 1.271,1312 4.111,1314 5.398,1316 6.887,1318 8.459,1320 10.072,1322 5.232,1328 1.701,1330 10.523,1333 2.25,1340 33.487,1341 72.689,1342 157.435,1343 202.786,1344 241.805,1345 255.315,1346 259.315,1347 48.905,1348 7.161,1349 38.77,1350 38.77,1351 18,1352 12.294,1353 4.322,1354 3.459,1355 50.057,1356 129,1357 120,1358 0.189,1359 208.316,1360 364.95,1361 500.05,1362 12680,1364 19.933,1365 0.712,1366 0.59,1367 19.933,1368 16.514,1369 13.601,1370 0.453,1371 0.306,1372 9.052,1373 13.125,1374 8.687,1375 7.329,1376 13.601,1377 9.186,1378 11.63,1379 0.291,1380 0.169,1381 11.63,1382 6.754,1383 9.804,1384 0.192,1385 0.09,1386 9.804,1387 4.61,1388 7.87,1389 0.127,1390 0.051,1391 7.87,1392 3.168,1393 6.044,1394 0.082,1395 0.028,1396 6.044,1397 2.068,1398 0.307,1399 85.11,1400 0.224,1401 27.38,1402 0.494,1403 140,1404 402.852,1405 149.609,1406 387.325,1407 524.16,1408 364,1409 161,1410 370.488,1411 171.914,1412 385.408,1413 553.26,1414 356,1415 6.337}
{0 CHEMBL490660,1 1.24,2 15.65,3 8.67,4 75.169,5 167.139,6 6.754,7 0.609,8 4.435,9 4.563,10 3.943,11 4.064,12 5.374,13 4.006,14 5.011,15 5.192,16 4.302,17 4.498,18 5.877,19 4.409,20 5.328,21 5.568,22 4.407,23 4.652,24 6.132,25 4.537,26 5.339,27 5.58,28 4.339,29 4.628,30 6.151,31 4.5,32 5.348,33 5.593,34 4.258,35 4.634,36 6.11,37 4.489,38 5.38,39 5.637,40 4.147,41 4.646,42 6.079,43 4.465,44 5.387,45 5.674,46 4.069,47 4.59,48 6.04,49 4.393,50 5.247,51 5.532,52 4.054,53 4.477,54 5.96,55 4.306,56 0.086,57 1.088,58 17.507,59 7.532,60 11.27,61 10.599,62 0.171,63 1.887,64 32.25,65 13.42,66 20.967,67 19.12,68 0.292,69 2.529,70 46.046,71 17.899,72 35.934,73 25.995,74 0.389,75 2.592,76 46.878,77 17.517,78 42.438,79 25.547,80 0.346,81 2.567,82 47.288,83 18.004,84 37.942,85 26.193,86 0.283,87 2.547,88 48.675,89 20.249,90 33.656,91 29.071,92 0.248,93 2.471,94 49.561,95 21.3,96 34.122,97 30.562,98 0.226,99 2.171,100 43.084,101 18.208,102 34.545,103 26.193,105 64,106 0.187,107 0.478,108 0.617,109 0.714,110 0.737,111 0.737,112 3.717,113 0.991,114 -6.34,115 -6.18,116 -5.74,121 46.2,123 10,127 2,144 12,145 6,146 2,148 4,176 24,180 8,185 6,187 28,192 8,197 6,200 19,206 4,209 2,211 12,214 18,224 8,227 25,232 2,237 2,239 32,244 2,249 2,251 32,256 4,264 32,269 4,273 1,277 32,281 3004,282 28.275,283 28.275,284 28.275,285 28.275,286 28.275,287 24.976,288 27.178,289 16.978,290 28.498,291 22.805,292 22.805,293 22.805,294 22.805,295 22.805,296 17.67,297 25.8,298 8.086,299 23.184,300 5.045,301 3.123,302 2.206,303 1.564,304 1.41,305 1.41,306 4.452,313 1436,314 3.464,318 700.969,322 666.8,325 2.455,326 17.999,329 0.5,330 0.5,331 0.67,332 0.6,333 0.5,334 0.67,335 1,336 0.63,337 82,338 626,339 4.64,340 3.361,341 6.829,342 4.207,343 3.227,344 4.564,345 0.4,346 11.348,347 3.162,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 4.564,354 0.4,355 11.348,356 3.162,357 4.039,358 2.849,359 5.982,360 3.657,361 2.658,362 3.637,364 8.37,365 2.656,366 3.914,367 2.67,368 5.982,369 3.524,370 2.532,371 3.437,373 8.37,374 2.512,375 3.914,376 2.667,377 5.493,378 3.524,379 2.532,380 3.437,382 7.392,383 2.512,384 3.544,385 2.528,386 5.383,387 3.243,388 2.259,389 2.897,391 6.722,392 2.228,393 3.519,394 2.341,395 5.379,396 3.122,397 2.168,398 2.892,400 6.707,401 2.067,402 3.47,403 2.315,404 5.128,405 3.092,406 2.124,407 2.768,409 6.365,410 2.048,411 2.938,412 1.698,413 4.116,414 2.52,415 1.535,416 2.142,418 3.409,419 1.51,420 2.938,421 1.664,422 4.116,423 2.516,424 1.529,425 2.142,427 3.374,428 1.508,429 2.627,430 1.477,431 3.939,432 2.345,433 1.35,434 1.665,436 3.329,437 1.343,438 2.615,439 1.46,440 3.927,441 2.345,442 1.347,443 1.653,445 3.329,446 1.343,447 2.5,448 1.406,449 3.618,450 2.318,451 1.347,452 1.5,454 2.946,455 1.303,456 2.493,457 1.355,458 3.597,459 2.242,460 1.247,461 1.492,463 2.902,464 1.24,465 2.49,466 1.35,467 3.594,468 2.242,469 1.247,470 1.49,472 2.902,473 1.24,474 19.6,475 0.49,476 0.684,477 0.017,478 52,479 1.3,480 27,481 0.675,482 25,483 0.625,484 39.716,485 0.993,486 41,487 0.526,488 37.299,489 0.932,490 9.304,491 0.233,492 10.527,493 0.263,496 0.306,501 0.97,502 1.11,503 0.881,504 0.971,505 0.827,506 0.93,507 1.007,508 1.181,509 0.973,510 1.064,511 0.867,512 1.025,513 1.177,514 1.095,515 0.921,516 0.955,517 1.025,518 0.928,519 1.456,520 1.119,521 1.105,522 1.046,523 1.281,524 1.052,525 1.56,526 1.03,527 1.179,528 1.039,529 1.304,530 1.076,531 0.998,532 1.016,533 1.154,534 1.119,535 1.056,536 1.142,537 0.545,538 0.889,539 0.916,540 0.973,541 0.74,542 0.969,543 0.594,544 0.828,545 0.813,546 0.861,547 0.67,548 0.853,549 5,550 0.231,551 4,552 2.375,553 2.302,554 0.778,555 0.681,556 0.455,557 0.205,558 0.213,559 33860,560 63421,561 2.259,562 48.7,563 12,564 16,567 2,568 4,569 4,572 1.793,573 2.222,574 3.811,582 96.723,583 1.24,584 3.162,585 4.08,586 4.721,587 4.875,588 4.875,589 3.041,590 3.484,591 5.303,592 4.119,593 3212.78,594 9.308,595 60519,600 490.261,601 0.881,602 5.295,603 0.109,604 0.007,605 0.063,606 0.034,607 0.037,608 0.014,609 0.014,610 0.01,611 0.004,612 0.005,613 0.296,614 0.33,615 0.63,617 230.815,618 0.015,619 -0.001,620 0.07,621 0.047,622 0.1,623 0.059,624 0.015,625 -0.117,626 -0.006,627 -0.062,628 0.075,629 -0.04,630 0.037,631 -0.061,632 0.074,633 0.018,634 0.071,635 0.043,636 -0.016,637 -0.055,638 -0.098,639 -0.094,640 -0.079,641 -0.1,642 -0.248,643 0.014,644 -0.18,645 -0.076,646 -0.245,647 -0.115,648 -0.155,649 -0.046,650 -0.178,651 -0.121,652 -0.186,653 -0.146,654 0.052,655 0.02,656 0.057,657 0.041,658 0.069,659 0.048,660 0.095,661 0.096,662 0.167,663 0.147,664 0.205,665 0.159,666 0.568,667 1.984,668 0.85,669 47.19,670 0.98,671 1.116,672 5.114,673 26.151,674 0.679,675 3.85,676 4.174,677 4.511,678 4.828,679 5.13,680 5.198,681 5.352,682 5.485,683 5.587,684 5.565,685 9.841,686 0.629,687 526.78,688 3.85,689 5.398,690 6.271,691 7.159,692 8.047,693 8.942,694 9.837,695 10.736,696 11.634,697 12.534,698 5.1,703 2,708 2,714 4,715 12,716 2,720 8,722 28,734 2,741 78,743 28,744 3,745 46,747 84,748 36,749 24,750 6,751 12,756 7,757 13,767 8,770 10,772 24,773 12,793 38,794 4,795 2,796 4,802 4,808 0.429,822 2,829 7,833 4,859 3,868 40,876 12,877 2,901 18,902 13.9,903 8.722,904 5.381,907 5.906,908 1.618,909 1.057,910 7.294,911 15.458,912 4.111,913 4.749,914 5.408,915 6.045,916 6.665,917 6.962,918 7.342,919 7.706,920 8.047,921 8.054,922 0.9,923 69,924 14.865,926 6.404,927 0.026,929 7.325,931 29.998,933 26.111,936 1.825,937 73,941 423.76,942 176.475,943 69.593,948 176.475,949 423.76,950 69.593,952 29.557,953 113.715,954 69.593,955 33.203,957 423.76,959 423.76,960 246.068,964 376.675,965 47.084,968 39.358,969 137.117,970 69.593,972 423.76,973 69.593,974 176.475,977 423.76,978 62.76,979 113.715,980 36.022,981 33.571,982 423.76,983 69.593,984 176.475,986 0.574,987 0.347,988 0.204,989 0.118,990 33,991 12,992 0.095,993 8,994 4,995 1.235,996 5.228,997 408.771,998 0.235,999 34,1000 168.877,1005 25.388,1006 11.492,1007 5.3,1008 4.747,1009 69.593,1010 26.401,1011 9.968,1015 10.863,1017 36.022,1018 669.827,1019 60,1031 76.428,1032 87.052,1034 0.197,1035 0.503,1036 0.649,1037 0.751,1038 0.776,1039 0.776,1040 5.347,1041 2.124,1042 6.232,1043 6.707,1044 4.86,1045 5.438,1046 0.495,1047 7.057,1048 4.826,1049 6.545,1050 1.535,1051 7.787,1052 6.365,1053 4.29,1054 5.247,1056 7.978,1057 4.24,1058 7.857,1059 1.529,1060 9.448,1061 3.409,1062 6.45,1063 7.715,1064 0.097,1065 11.138,1066 6.383,1067 9.211,1068 1.35,1069 11.177,1070 3.374,1071 6.781,1072 8.42,1074 12.948,1075 6.694,1076 10.603,1077 1.347,1078 12.951,1079 3.329,1080 8.342,1081 10.323,1082 0.016,1083 15.613,1084 8.24,1085 12.022,1086 1.347,1087 14.756,1088 3.329,1089 9.11,1090 11.448,1092 17.781,1093 8.986,1094 13.463,1095 1.247,1096 16.583,1097 2.946,1098 10.423,1099 13.122,1100 0.003,1101 20.289,1102 10.283,1103 3.227,1104 1.247,1105 18.426,1106 2.902,1107 11.403,1108 14.451,1110 22.607,1111 11.24,1112 3.226,1113 11.348,1114 20.283,1115 2.902,1116 12.616,1117 16.029,1119 25.062,1120 12.435,1121 2.658,1122 11.348,1123 22.15,1124 4.564,1125 13.697,1126 17.457,1128 27.442,1129 13.492,1130 2.532,1131 8.37,1132 24.025,1133 4.564,1134 14.875,1135 18.996,1137 29.88,1138 14.65,1139 2.532,1140 8.37,1141 25.907,1142 3.637,1143 16.002,1144 20.471,1146 32.287,1147 15.754,1148 2.259,1149 7.392,1150 27.795,1151 3.437,1152 17.169,1153 21.995,1155 34.719,1156 16.9,1157 2.168,1158 6.722,1159 29.687,1160 3.437,1161 18.317,1162 23.492,1164 37.138,1165 18.026,1166 29944,1167 41144,1168 32.591,1169 52.967,1170 68.477,1171 69.052,1172 69.55,1173 68.51,1174 68.528,1175 89.926,1176 1.6,1177 196.014,1178 67.36,1179 5.587,1180 5.361,1181 6.515,1182 5.247,1183 5.227,1184 7.564,1185 0.8,1186 18.879,1187 5.162,1189 1.489,1190 1.501,1191 1.512,1192 1.489,1193 1.49,1194 1.955,1195 0.035,1196 4.261,1197 1.464,1198 4.141,1199 4.173,1200 4.097,1201 4.067,1202 4.992,1203 4.07,1204 4.088,1205 4.118,1206 4.052,1207 4.018,1208 4.954,1209 4.023,1210 3.94,1211 3.971,1212 3.87,1213 3.887,1214 4.725,1215 3.88,1216 3.733,1217 3.782,1218 3.618,1219 3.651,1220 4.411,1221 3.637,1222 3.731,1223 3.78,1224 3.617,1225 3.649,1226 4.41,1227 3.635,1228 3.562,1229 3.636,1230 3.419,1231 3.408,1232 4.232,1233 3.401,1234 3.415,1235 3.493,1236 3.28,1237 3.243,1238 4.182,1239 3.241,1240 3.238,1241 3.295,1242 3.113,1243 3.132,1244 3.977,1245 3.121,1246 0.101,1247 0.073,1248 0.148,1249 0.091,1250 0.07,1251 4.64,1252 0.099,1253 3.361,1254 0.009,1255 6.829,1256 0.247,1257 4.207,1258 0.069,1259 3.227,1260 4.564,1261 0.4,1262 11.348,1263 3.162,1264 2.073,1265 2.048,1266 2.161,1267 2.165,1268 1.435,1269 2.165,1270 2.072,1271 2.046,1272 2.158,1273 2.162,1274 1.434,1275 2.162,1276 1.946,1277 1.918,1278 2.073,1279 2.026,1280 1.286,1281 2.043,1282 1.754,1283 1.709,1284 1.949,1285 1.873,1286 1.164,1287 1.902,1288 1.754,1289 1.709,1290 1.949,1291 1.872,1292 1.143,1293 1.902,1294 1.558,1295 1.491,1296 1.801,1297 1.755,1298 1.076,1299 1.775,1300 1.394,1301 1.324,1302 1.634,1303 1.61,1304 0.807,1305 1.623,1306 1.247,1307 1.197,1308 1.466,1309 1.394,1310 0.755,1311 1.416,1312 4.533,1314 5.855,1316 7.396,1318 9.041,1320 10.744,1328 13.391,1329 7.631,1340 49.041,1341 96.723,1342 246.673,1343 318.222,1344 368.261,1345 380.261,1346 380.261,1347 51.674,1348 9.552,1349 49.84,1350 49.84,1351 42,1352 13.056,1353 4.858,1354 3.907,1355 52.853,1356 250,1357 156,1358 0.102,1359 293.462,1360 500.02,1361 707.807,1362 294962,1364 26.727,1365 0.668,1366 0.583,1367 26.727,1368 23.308,1369 19.832,1370 0.431,1371 0.33,1372 15.129,1373 19.573,1374 14.816,1375 12.216,1376 19.832,1377 15.199,1378 17.381,1379 0.272,1380 0.179,1381 17.381,1382 11.443,1383 15.548,1384 0.173,1385 0.098,1386 15.548,1387 8.792,1388 13.733,1389 0.111,1390 0.054,1391 13.733,1392 6.685,1393 12.092,1394 0.072,1395 0.031,1396 12.092,1397 5.153,1398 0.168,1399 120.715,1400 0.175,1401 36.69,1402 0.259,1403 220,1404 441.956,1405 227.549,1406 450.087,1407 656.36,1408 430,1409 264,1410 513.014,1411 272.659,1412 526.96,1413 781.64,1414 504,1415 8.788}
{0 CHEMBL491358,1 1.512,2 9.194,3 3.759,4 14.132,5 120.608,6 7.059,7 0.353,8 4.19,9 4.303,10 3.705,11 3.685,12 5.28,13 3.669,14 4.741,15 4.915,16 4.075,17 4.086,18 5.759,19 4.05,20 4.947,21 5.126,22 4.266,23 4.286,24 5.951,25 4.247,26 5.087,27 5.259,28 4.357,29 4.384,30 6.21,31 4.34,32 5.241,33 5.445,34 4.331,35 4.448,36 6.282,37 4.384,38 5.248,39 5.46,40 4.328,41 4.453,42 6.299,43 4.37,44 5.292,45 5.529,46 4.251,47 4.414,48 6.27,49 4.309,50 5.234,51 5.47,52 4.108,53 4.308,54 6.2,55 4.187,56 0.046,57 0.838,58 13.435,59 5.777,60 13.115,61 7.509,62 0.361,63 1.331,64 25.424,65 9.636,66 33.427,67 12.907,68 0.352,69 1.675,70 31.028,71 11.433,72 33.379,73 15.773,74 0.431,75 1.921,76 35.735,77 12.763,78 58.051,79 17.523,80 0.586,81 2.113,82 43.424,83 14.189,84 72.24,85 19.837,86 0.551,87 2.132,88 43.198,89 15.055,90 75.687,91 21.399,92 0.781,93 2.088,94 46.601,95 15.862,96 76.962,97 22.656,98 0.767,99 1.894,100 44.342,101 15.271,102 74.273,103 21.536,104 48,105 49,106 0.246,107 0.6,108 0.804,109 0.839,110 0.855,111 0.86,112 3.473,113 0.939,114 -3.84,115 -3.8,116 -3.6,121 40,122 2,123 4,124 1,126 2,127 1,138 1,141 1,144 3,145 3,146 3,148 1,149 1,158 1,165 1,166 1,167 1,176 10,179 1,180 10,183 1,185 3,187 13,189 2,191 1,192 9,197 3,200 11,203 2,205 1,206 13,208 2,209 3,211 8,214 10,216 4,219 11,224 5,227 10,229 3,231 1,232 8,234 1,235 2,236 1,237 4,238 1,239 14,241 2,243 3,244 3,246 1,247 2,249 1,251 11,255 3,256 6,258 1,259 2,261 3,264 7,266 1,269 5,274 1,277 2,281 1679,282 21.162,283 21.162,284 21.162,285 21.162,286 21.162,287 19.148,288 29.572,289 12.265,290 21.772,291 16.592,292 16.592,293 16.592,294 16.592,295 16.592,296 13.345,297 35.409,298 5.504,299 17.3,300 4.395,301 2.218,302 0.963,303 0.75,304 0.65,305 0.617,306 4.166,311 1,312 1,313 606,314 3.536,318 271.684,322 216.192,325 1.205,326 34.265,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 67.5,338 285,339 4.72,340 3.796,341 7.194,342 4.397,343 3.411,344 4.383,345 1.36,346 12.672,347 3.363,348 4.353,349 3.259,350 6.602,351 3.985,352 3.002,353 3.949,354 1.216,355 10.413,356 2.951,357 4.227,358 3.195,359 6.179,360 3.805,361 2.852,362 3.765,363 0.986,364 9.132,365 2.716,366 3.778,367 2.912,368 6.037,369 3.454,370 2.47,371 3.112,372 0.86,373 8.414,374 2.425,375 3.661,376 2.765,377 5.679,378 3.257,379 2.305,380 2.974,381 0.86,382 7.464,383 2.189,384 3.4,385 2.413,386 5.294,387 3.034,388 2.069,389 2.678,391 6.326,392 1.989,393 3.164,394 2.203,395 4.851,396 2.808,397 1.848,398 2.282,400 5.094,401 1.769,402 2.919,403 2.176,404 4.546,405 2.522,406 1.611,407 2.057,409 4.237,410 1.461,411 2.582,412 1.804,413 4.343,414 2.431,415 1.44,416 1.582,418 3.911,419 1.427,420 2.48,421 1.484,422 3.865,423 2.336,424 1.371,425 1.477,427 3.074,428 1.317,429 2.114,430 1.461,431 3.654,432 1.96,433 1,434 1.067,436 2.433,437 0.956,438 2.017,439 1.251,440 3.412,441 1.851,442 0.9,443 0.97,445 1.635,446 0.849,447 1.833,448 1.039,449 3.142,450 1.553,451 0.651,452 0.751,454 1.183,455 0.582,456 1.456,457 0.934,458 2.987,459 1.193,460 0.342,461 0.371,463 0.46,464 0.288,465 1.33,466 0.511,467 2.849,468 1.049,469 0.09,470 0.104,472 0.232,473 0.086,474 14.533,475 0.469,476 0.764,477 0.025,478 37,479 1.194,480 17,481 0.548,482 20,483 0.645,484 32.941,485 1.063,486 34.667,487 0.578,488 30.579,489 0.986,490 7.108,491 0.229,492 7.886,493 0.254,494 0.188,496 0.413,501 0.939,502 1.278,503 0.851,504 1.161,505 1.014,506 1.013,507 0.998,508 0.986,509 0.792,510 0.872,511 0.673,512 0.815,513 0.924,514 1.134,515 0.835,516 0.963,517 0.849,518 0.891,519 1.04,520 1.224,521 1.024,522 1.144,523 1.196,524 1.086,525 1.342,526 1.071,527 1.124,528 0.976,529 1.468,530 0.998,531 0.868,532 1.152,533 1.028,534 1.143,535 0.96,536 1.11,537 0.816,538 1.007,539 0.97,540 1.055,541 0.969,542 1.037,543 0.884,544 1.092,545 1.025,546 1.151,547 0.858,548 1.126,549 5.5,550 0.095,551 3.778,552 3.063,553 3.067,554 1.771,555 1.236,556 0.931,557 0.472,558 0.251,559 10308,560 25494,561 2.046,562 48.3,563 7,564 11,567 3,568 5,569 3,572 1.749,573 1.879,574 3.14,575 0.844,577 1,582 90.738,583 1.512,584 3.689,585 4.944,586 5.157,587 5.257,588 5.29,589 2.567,590 4.761,591 4.923,592 3.301,593 1534.95,594 8.673,595 20588.6,597 1,600 354.413,601 1.514,602 4.866,603 0.162,604 0.007,605 0.077,606 0.052,607 0.049,608 0.03,609 0.021,610 0.018,611 0.011,612 0.009,613 0.436,614 0.33,615 1,616 1.264,617 155.297,618 -0.065,619 -0.061,620 0.047,621 -0.023,622 -0.108,623 0.026,624 0.033,625 0.096,626 0.165,627 0.189,628 0.115,629 0.194,630 0.005,631 -0.018,632 0.11,633 0.085,634 -0.019,635 0.112,636 -0.02,637 -0.083,638 -0.068,639 -0.119,640 0.018,641 -0.107,642 -0.217,643 0.002,644 -0.136,645 0.007,646 -0.191,647 -0.039,648 0.038,649 -0.083,650 -0.07,651 -0.141,652 0.077,653 -0.126,654 0.144,655 -0.015,656 0.01,657 -0.072,658 0.044,659 -0.054,660 0.153,661 -0.146,662 -0.036,663 -0.163,664 0.107,665 -0.139,666 1.814,667 4.818,668 0.645,669 26.564,670 1.002,671 1.129,672 2.606,673 6.79,674 0.646,675 3.555,676 3.912,677 4.277,678 4.625,679 4.934,680 5.124,681 5.333,682 5.541,683 5.663,684 5.659,685 5.698,686 0.613,687 423.56,688 3.555,689 5.118,690 6.009,691 6.927,692 7.842,693 8.771,694 9.697,695 10.632,696 11.563,697 12.501,698 5,702 1,707 1,708 1,715 3,716 1,720 8,722 12,733 1,739 2,741 60,743 14,744 1,745 34,747 63,748 24,749 11,750 3,751 3,752 3,756 4,757 7,763 2,767 4,768 1,770 4,772 14,773 10,774 1,777 2,785 1,786 3,790 1,793 29,794 7,795 3,796 7,802 3,808 0.5,809 4,822 1,829 4,833 2,839 1,850 1,857 1,858 1,859 2,864 4,868 31,869 1,875 1,876 5,878 3,880 1,893 6.7,895 1,897 1,898 2,901 16.5,902 12.017,903 7.028,904 3.757,907 2.955,908 1.366,909 0.953,910 6.327,911 11.041,912 3.761,913 4.382,914 5.004,915 5.615,916 6.213,917 6.62,918 7.072,919 7.518,920 7.88,921 8.099,922 1,923 59,924 11.507,926 4.901,927 0.026,929 7.683,931 22.085,933 18.22,936 2.183,937 67.667,940 1,941 306.049,942 117.423,943 66.468,945 75.683,948 117.423,949 381.732,950 66.468,951 39.417,952 14.731,953 61.326,954 73.226,955 68.548,956 2.328,957 306.049,959 306.049,960 183.891,961 75.683,964 270.735,965 99.996,966 11,968 51.923,969 115.182,970 16.786,972 306.049,973 142.151,974 117.423,977 306.049,978 49.578,979 67.845,981 142.151,982 306.049,983 142.151,984 117.423,986 0.577,987 0.366,988 0.216,989 0.121,990 24,991 12,992 0.079,993 5,994 2,995 1.2,996 3.86,997 306.67,998 0.2,999 20,1000 153.58,1005 21.815,1006 8.991,1007 3.843,1009 142.151,1010 5.711,1011 4.888,1015 6.372,1017 75.581,1018 565.623,1019 42,1027 4.723,1028 1.095,1031 60.101,1032 67.73,1034 0.256,1035 0.625,1036 0.837,1037 0.873,1038 0.89,1039 0.896,1040 5.037,1041 1.611,1042 6.019,1043 5.094,1044 4.595,1045 5.069,1046 2.454,1047 6.921,1048 4.526,1049 6.262,1050 1.44,1051 7.634,1052 4.237,1053 4.29,1054 5.017,1055 1.06,1056 8.007,1057 4.214,1058 7.605,1059 1.371,1060 9.352,1061 3.911,1062 6.267,1063 7.301,1064 2.588,1065 11.181,1066 6.156,1067 8.985,1068 1,1069 11.131,1070 3.074,1071 6.792,1072 8.045,1073 1.679,1074 13.095,1075 6.674,1076 10.398,1077 0.9,1078 12.949,1079 2.433,1080 8.252,1081 9.832,1082 2.86,1083 15.811,1084 8.112,1085 11.833,1086 0.651,1087 14.792,1088 1.635,1089 9.151,1090 10.932,1091 2.248,1092 18.074,1093 9.001,1094 13.285,1095 0.342,1096 16.655,1097 1.183,1098 10.426,1099 12.524,1100 3.233,1101 20.647,1102 10.261,1103 3.411,1104 0.09,1105 18.533,1106 0.46,1107 11.492,1108 13.797,1109 2.825,1110 23.06,1111 11.317,1112 3.002,1113 12.672,1114 20.424,1115 0.232,1116 12.705,1117 15.306,1118 3.676,1119 25.592,1120 12.518,1121 2.852,1122 10.413,1123 22.324,1124 4.383,1125 13.845,1126 16.667,1127 3.415,1128 28.071,1129 13.647,1130 2.47,1131 9.132,1132 24.233,1133 3.949,1134 15.043,1135 18.142,1136 4.164,1137 30.595,1138 14.834,1139 2.305,1140 8.414,1141 26.149,1142 3.765,1143 16.218,1144 19.547,1145 4.015,1146 33.103,1147 15.998,1148 2.069,1149 7.464,1150 28.071,1151 3.112,1152 17.416,1153 21.009,1154 4.684,1155 35.629,1156 17.185,1157 1.848,1158 6.326,1159 29.999,1160 2.974,1161 18.608,1162 22.44,1163 4.622,1164 38.151,1165 18.367,1166 10125,1167 16053,1168 22.194,1169 38.733,1170 51.008,1171 51.994,1172 54.863,1173 50.593,1174 50.723,1175 63.05,1176 10.564,1177 153.365,1178 48.736,1179 5.665,1180 5.796,1181 6.963,1182 5.45,1183 5.411,1184 7.383,1185 2.576,1186 20.368,1187 5.363,1188 17.475,1189 1.5,1190 1.529,1191 1.614,1192 1.488,1193 1.492,1194 1.854,1195 0.311,1196 4.511,1197 1.433,1198 4.093,1199 4.121,1200 4.058,1201 4.01,1202 6.473,1203 4.018,1204 3.892,1205 3.915,1206 3.839,1207 3.806,1208 5.125,1209 3.809,1210 3.732,1211 3.763,1212 3.662,1213 3.608,1214 4.927,1215 3.616,1216 3.52,1217 3.577,1218 3.38,1219 3.325,1220 4.787,1221 3.328,1222 3.381,1223 3.454,1224 3.225,1225 3.223,1226 4.523,1227 3.21,1228 3.278,1229 3.337,1230 3.141,1231 3.055,1232 4.496,1233 3.067,1234 3.247,1235 3.314,1236 3.051,1237 2.953,1238 4.368,1239 2.961,1240 3.145,1241 3.221,1242 2.992,1243 2.939,1244 4.287,1245 2.934,1246 0.139,1247 0.112,1248 0.212,1249 0.129,1250 0.1,1251 4.72,1252 0.129,1253 3.796,1254 0.04,1255 7.194,1256 0.373,1257 4.397,1258 0.099,1259 3.411,1260 4.383,1261 1.36,1262 12.672,1263 3.363,1264 2.032,1265 2.008,1266 2.119,1267 2.133,1268 1.427,1269 2.129,1270 1.874,1271 1.849,1272 2.003,1273 1.986,1274 1.26,1275 1.99,1276 1.695,1277 1.665,1278 1.842,1279 1.857,1280 0.964,1281 1.852,1282 1.482,1283 1.421,1284 1.787,1285 1.724,1286 0.929,1287 1.746,1288 1.381,1289 1.317,1290 1.622,1291 1.577,1292 0.773,1293 1.596,1294 1.226,1295 1.165,1296 1.576,1297 1.524,1298 0.722,1299 1.54,1300 1.191,1301 1.115,1302 1.559,1303 1.504,1304 0.599,1305 1.523,1306 1.127,1307 1.048,1308 1.452,1309 1.363,1310 0.574,1311 1.389,1312 4.234,1314 5.58,1316 7.151,1318 8.833,1320 10.576,1322 6.894,1326 6.751,1327 10.818,1328 4.352,1330 16.453,1332 -0.39,1340 36.772,1341 90.738,1342 221.352,1343 296.639,1344 309.394,1345 315.394,1346 317.394,1347 61.805,1348 8.085,1349 99.19,1350 99.19,1351 24,1352 12.999,1353 3.907,1354 3.17,1355 48.746,1356 99,1357 122,1358 0.233,1359 224.362,1360 399.56,1361 539.203,1362 34117,1364 22.121,1365 0.714,1366 0.596,1367 22.121,1368 18.489,1369 14.994,1370 0.441,1371 0.313,1372 10.471,1373 14.315,1374 10.114,1375 8.413,1376 14.994,1377 10.643,1378 13.184,1379 0.269,1380 0.159,1381 13.184,1382 7.792,1383 11.795,1384 0.166,1385 0.085,1386 11.795,1387 6.029,1388 10.637,1389 0.105,1390 0.045,1391 10.637,1392 4.575,1393 8.737,1394 0.063,1395 0.024,1396 8.737,1397 3.372,1398 0.347,1399 94.785,1400 0.212,1401 27.978,1402 0.707,1403 166,1404 479.959,1405 182.814,1406 453.544,1407 630.01,1408 428,1409 203,1410 471.055,1411 219.736,1412 476.41,1413 706.62,1414 447,1415 7.347}
{0 CHEMBL491359,1 1.51,2 8.37,3 2.641,4 6.977,5 105.525,6 7.147,7 0.4,8 4.031,9 4.153,10 3.562,11 3.566,12 5.119,13 3.543,14 4.574,15 4.751,16 3.938,17 3.979,18 5.6,19 3.93,20 4.827,21 5.028,22 4.094,23 4.159,24 5.785,25 4.104,26 4.925,27 5.115,28 4.194,29 4.214,30 6.053,31 4.169,32 5.03,33 5.235,34 4.198,35 4.263,36 6.116,37 4.211,38 5.063,39 5.278,40 4.17,41 4.268,42 6.201,43 4.185,44 5.07,45 5.322,46 3.87,47 4.192,48 5.995,49 4.056,50 4.958,51 5.242,52 3.491,53 3.984,54 5.77,55 3.792,56 0.043,57 0.754,58 11.1,59 4.695,60 11.411,61 6.276,62 0.237,63 1.215,64 20.589,65 8.108,66 25.44,67 11.21,68 0.205,69 1.525,70 27.26,71 9.922,72 27.689,73 14.035,74 0.389,75 1.678,76 30.22,77 10.299,78 51.747,79 14.478,80 0.386,81 1.803,82 34.433,83 10.991,84 57.351,85 15.568,86 0.673,87 1.842,88 35.768,89 11.949,90 83.419,91 17.138,92 0.39,93 1.749,94 36.948,95 12.341,96 56.896,97 17.959,98 0.346,99 1.463,100 34,101 11.641,102 50.824,103 17.101,104 20,105 43,106 0.254,107 0.642,108 0.836,109 0.869,110 0.882,111 0.882,112 3.342,113 0.944,114 -3.41,115 -3.39,116 -3.25,121 41.2,122 2,123 4,124 1,127 1,138 1,141 1,144 2,145 3,146 1,147 2,148 1,149 1,158 1,165 1,166 1,167 1,176 9,179 1,180 10,183 1,185 3,187 11,189 2,192 7,197 3,200 8,203 2,205 1,206 12,208 2,209 3,211 8,214 10,216 4,219 5,224 3,227 8,229 2,231 4,232 8,234 2,235 4,236 1,237 4,238 1,239 13,241 2,244 2,249 1,251 8,256 6,261 3,264 6,266 1,269 2,274 1,277 2,281 1083,282 18.474,283 18.474,284 18.474,285 18.474,286 18.474,287 16.433,288 22.34,289 10.968,290 18.805,291 14.782,292 14.782,293 14.782,294 14.782,295 14.782,296 11.701,297 26.162,298 5.108,299 15.225,300 4.162,301 1.848,302 0.696,303 0.5,304 0.422,305 0.422,306 4.038,310 1,311 1,312 1,313 488,314 3.082,318 220.949,322 178.327,325 1.152,326 28.056,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 58,338 226,339 4.716,340 3.793,341 7.192,342 4.393,343 3.407,344 4.38,345 1.36,346 12.664,347 3.359,348 4.337,349 3.256,350 6.6,351 3.974,352 2.988,353 3.844,354 1.216,355 10.404,356 2.944,357 3.924,358 2.955,359 6.055,360 3.532,361 2.546,362 3.427,363 0.986,364 8.461,365 2.512,366 3.734,367 2.778,368 5.729,369 3.354,370 2.382,371 3.088,373 7.644,374 2.314,375 3.495,376 2.443,377 5.302,378 3.078,379 2.123,380 2.791,382 6.381,383 2.022,384 3.169,385 2.205,386 4.852,387 2.808,388 1.849,389 2.303,391 5.098,392 1.77,393 2.987,394 1.958,395 4.569,396 2.632,397 1.668,398 2.137,400 4.284,401 1.607,402 2.506,403 1.543,404 3.885,405 2.406,406 1.416,407 1.504,409 3.078,410 1.4,411 2.5,412 1.472,413 3.658,414 2.173,415 1.211,416 1.5,418 2.869,419 1.162,420 2.459,421 1.351,422 3.575,423 1.958,424 1,425 1.445,427 2.347,428 0.954,429 2.111,430 1.168,431 3.361,432 1.955,433 1,434 1.066,436 2.136,437 0.95,438 1.95,439 1,440 3.247,441 1.794,442 0.83,443 0.9,445 1.565,446 0.796,447 1.333,448 0.508,449 3.035,450 1.05,451 0.09,452 0.105,454 0.235,455 0.086,456 1.059,457 0.227,458 2.847,459 0.859,460 -0.101,461 -0.113,463 -0.262,464 -0.097,465 0.989,466 -0.081,467 2.627,468 0.637,469 -0.332,470 -0.407,472 -0.789,473 -0.321,474 12.767,475 0.473,476 0.645,477 0.024,478 33.5,479 1.241,480 16,481 0.593,482 17.5,483 0.648,484 26.322,485 0.975,486 29.233,487 0.573,488 24.91,489 0.923,490 6.205,491 0.23,492 6.909,493 0.256,494 0.136,496 0.392,501 0.949,502 1.236,503 0.843,504 1.061,505 1.015,506 0.955,507 0.722,508 1.087,509 0.789,510 0.974,511 0.554,512 0.906,513 0.994,514 1.117,515 0.845,516 0.948,517 0.863,518 0.885,519 1.15,520 1.141,521 0.993,522 1.053,523 1.243,524 1.006,525 1.515,526 1.136,527 1.085,528 0.99,529 1.532,530 0.974,531 0.936,532 1.034,533 1.08,534 1.088,535 0.942,536 1.102,537 1.139,538 1.045,539 1.185,540 1.108,541 1.154,542 1.14,543 0.953,544 0.998,545 1.126,546 1.111,547 1.002,548 1.141,549 4,550 0.021,551 2.889,552 2.688,553 2.604,554 1.535,555 0.853,556 0.488,557 0.176,558 0.095,559 7240,560 17126,561 2.097,562 47.1,563 7,564 4,566 2,567 3,568 5,569 3,572 1.714,573 1.952,574 2.999,575 0.908,576 1,577 1,582 77.016,583 1.51,584 3.825,585 4.976,586 5.172,587 5.251,588 5.251,589 2.434,590 4.459,591 4.725,592 3.131,593 1099.12,594 8.273,595 13303.3,597 1,599 1,600 289.294,601 1.447,602 4.681,603 0.133,604 0.005,605 0.067,606 0.054,607 0.049,608 0.029,609 0.017,610 0.014,611 0.008,612 0.009,613 0.386,614 0.5,615 1,616 1.113,617 128.492,618 -0.083,619 -0.042,620 0.038,621 0.03,622 -0.111,623 0.049,624 0.16,625 0.004,626 0.134,627 0.078,628 0.153,629 0.098,630 -0.065,631 -0.052,632 0.101,633 0.069,634 -0.067,635 0.103,636 0.028,637 -0.041,638 -0.023,639 -0.072,640 0.041,641 -0.059,642 -0.217,643 -0.072,644 -0.091,645 -0.029,646 -0.154,647 -0.038,648 0.212,649 0.024,650 -0.097,651 -0.127,652 0.209,653 -0.157,654 -0.156,655 -0.068,656 -0.202,657 -0.142,658 -0.163,659 -0.169,660 -0.081,661 -0.108,662 -0.136,663 -0.139,664 -0.118,665 -0.144,666 1.782,667 4.626,668 0.741,669 20.346,670 0.998,671 1.129,672 2.184,673 4.771,674 0.658,675 3.434,676 3.784,677 4.143,678 4.511,679 4.828,680 4.99,681 5.165,682 5.342,683 5.442,684 5.403,685 5.098,686 0.623,687 364.49,688 3.434,689 4.99,690 5.878,691 6.795,692 7.709,693 8.64,694 9.566,695 10.502,696 11.433,697 12.372,698 7.8,702 1,707 1,708 2,715 4,716 2,720 6,722 12,733 1,741 51,743 14,745 30,747 54,748 21,749 10,752 3,756 4,757 7,763 2,767 4,768 1,770 4,772 13,773 8,774 1,777 2,785 1,786 3,789 1,790 1,793 24,794 6,795 3,796 6,802 4,808 0.5,809 2,822 2,829 4,833 2,839 1,850 1,857 1,858 1,859 2,864 2,868 27,869 1,875 1,876 5,878 1,880 1,893 3.9,895 1,897 1,901 13.833,902 9.717,903 6,904 3.356,907 2.846,908 1.367,909 0.975,910 4.878,911 10.601,912 3.664,913 4.277,914 4.887,915 5.508,916 6.111,917 6.486,918 6.933,919 7.364,920 7.703,921 7.875,922 0.833,923 50,924 10.024,926 4.328,927 0.026,929 7.66,931 19.337,933 16.257,936 2.16,937 58.333,940 1,941 247.193,942 93.789,943 83.254,945 53.683,948 93.789,949 300.876,950 83.254,951 17.65,952 14.731,953 51.85,954 113.553,955 54.156,956 2.328,957 223.651,959 247.193,960 177.042,961 53.683,964 211.88,965 77.997,966 11,968 70.018,969 73.453,970 33.571,972 247.193,973 136.937,974 93.789,977 247.193,978 39.091,979 54.698,981 136.937,982 247.193,983 136.937,984 93.789,986 0.577,987 0.356,988 0.217,989 0.127,990 22,991 10,992 0.056,993 3,994 2,995 1.2,996 3.623,997 254.264,998 0.2,999 20,1000 128.382,1005 17.996,1006 7.319,1007 3.103,1009 136.937,1010 7.394,1011 9.116,1015 5.336,1017 75.581,1018 477.919,1019 38,1027 4.683,1028 1.196,1031 50.898,1032 57.564,1034 0.266,1035 0.674,1036 0.877,1037 0.912,1038 0.926,1039 0.926,1040 4.927,1041 1.416,1042 5.878,1043 4.284,1044 4.466,1045 4.963,1046 2.161,1047 6.774,1048 4.415,1049 6.145,1050 1.211,1051 7.484,1052 3.078,1053 4.111,1054 4.82,1055 1.06,1056 7.851,1057 4.061,1058 7.477,1059 1,1060 9.199,1061 2.869,1062 6.12,1063 7.171,1064 2.408,1065 11.053,1066 6.037,1067 8.849,1068 1,1069 10.979,1070 2.347,1071 6.621,1072 7.851,1073 1.679,1074 12.987,1075 6.542,1076 10.255,1077 0.83,1078 12.801,1079 2.136,1080 8.106,1081 9.684,1082 2.762,1083 15.721,1084 8.001,1085 11.687,1086 0.09,1087 14.652,1088 1.565,1089 9,1090 10.747,1091 2.248,1092 18.004,1093 8.894,1094 13.138,1095 -0.101,1096 16.524,1097 0.235,1098 10.292,1099 12.367,1100 3.184,1101 20.589,1102 10.166,1103 3.407,1104 -0.332,1105 18.411,1106 -0.262,1107 11.363,1108 13.623,1109 2.825,1110 23.015,1111 11.23,1112 2.988,1113 12.664,1114 20.311,1115 -0.789,1116 12.589,1117 15.15,1118 3.653,1119 25.555,1120 12.439,1121 2.546,1122 10.404,1123 22.221,1124 4.38,1125 13.737,1126 16.506,1127 3.415,1128 28.041,1129 13.577,1130 2.382,1131 8.461,1132 24.139,1133 3.844,1134 14.945,1135 17.993,1136 4.154,1137 30.571,1138 14.77,1139 2.123,1140 7.644,1141 26.064,1142 3.427,1143 16.128,1144 19.401,1145 4.015,1146 33.082,1147 15.94,1148 1.849,1149 6.381,1150 27.994,1151 3.088,1152 17.334,1153 20.873,1154 4.679,1155 35.611,1156 17.132,1157 1.668,1158 5.098,1159 29.93,1160 2.791,1161 18.534,1162 22.308,1163 4.622,1164 38.135,1165 18.318,1166 7020,1167 10920,1168 19.997,1169 33.546,1170 45.509,1171 45.613,1172 47.586,1173 44.994,1174 45.018,1175 56.981,1176 7.124,1177 134.333,1178 43.751,1179 5.661,1180 5.793,1181 6.994,1182 5.446,1183 5.407,1184 7.38,1185 2.576,1186 20.359,1187 5.359,1188 12.702,1189 1.517,1190 1.52,1191 1.586,1192 1.5,1193 1.501,1194 1.899,1195 0.237,1196 4.478,1197 1.458,1198 4.085,1199 4.117,1200 4.05,1201 3.998,1202 6.473,1203 4.006,1204 3.855,1205 3.896,1206 3.787,1207 3.761,1208 5.125,1209 3.761,1210 3.706,1211 3.747,1212 3.635,1213 3.575,1214 4.895,1215 3.583,1216 3.518,1217 3.576,1218 3.378,1219 3.324,1220 4.778,1221 3.327,1222 3.381,1223 3.454,1224 3.224,1225 3.223,1226 4.521,1227 3.21,1228 3.178,1229 3.242,1230 3.05,1231 2.995,1232 4.363,1233 2.997,1234 3.104,1235 3.193,1236 2.912,1237 2.923,1238 3.971,1239 2.905,1240 2.93,1241 2.994,1242 2.802,1243 2.74,1244 3.872,1245 2.75,1246 0.157,1247 0.126,1248 0.24,1249 0.146,1250 0.114,1251 4.716,1252 0.146,1253 3.793,1254 0.045,1255 7.192,1256 0.422,1257 4.393,1258 0.112,1259 3.407,1260 4.38,1261 1.36,1262 12.664,1263 3.359,1264 2.025,1265 1.999,1266 2.117,1267 2.132,1268 1.426,1269 2.127,1270 1.845,1271 1.807,1272 1.988,1273 1.967,1274 1.236,1275 1.976,1276 1.671,1277 1.631,1278 1.829,1279 1.837,1280 0.94,1281 1.835,1282 1.482,1283 1.42,1284 1.783,1285 1.722,1286 0.866,1287 1.744,1288 1.381,1289 1.317,1290 1.617,1291 1.576,1292 0.773,1293 1.594,1294 1.147,1295 1.084,1296 1.453,1297 1.377,1298 0.721,1299 1.389,1300 1.115,1301 1.032,1302 1.38,1303 1.353,1304 0.544,1305 1.378,1306 0.875,1307 0.836,1308 1.137,1309 1.183,1310 0.194,1311 1.183,1312 4.111,1314 5.451,1316 7.018,1318 8.7,1320 10.445,1322 3.708,1326 6.66,1327 10.626,1328 4.479,1330 5.444,1332 -0.308,1340 31.783,1341 77.016,1342 195.052,1343 253.784,1344 263.784,1345 267.784,1346 267.784,1347 47.91,1348 7.754,1349 93.62,1350 93.62,1351 24,1352 12.87,1353 3.907,1354 3.17,1355 39.615,1356 79,1357 95,1358 0.245,1359 194.387,1360 341.08,1361 466.063,1362 22581,1364 18.966,1365 0.702,1366 0.581,1367 18.966,1368 15.697,1369 13.113,1370 0.437,1371 0.315,1372 9.335,1373 12.666,1374 9.08,1375 7.517,1376 13.113,1377 9.44,1378 11.672,1379 0.271,1380 0.162,1381 11.672,1382 6.964,1383 10.216,1384 0.165,1385 0.086,1386 10.216,1387 5.306,1388 9.406,1389 0.105,1390 0.045,1391 9.406,1392 4.089,1393 7.858,1394 0.063,1395 0.024,1396 7.858,1397 3.027,1398 0.361,1399 81.771,1400 0.224,1401 24.836,1402 0.757,1403 146,1404 388.133,1405 158.445,1406 378.197,1407 530.05,1408 356,1409 178,1410 403.076,1411 190.144,1412 407.861,1413 606,1414 386,1415 6.801}
{0 CHEMBL491360,1 1.51,2 8.37,3 2.641,4 6.977,5 105.525,6 7.147,7 0.4,8 4.031,9 4.153,10 3.562,11 3.566,12 5.119,13 3.543,14 4.574,15 4.751,16 3.938,17 3.979,18 5.602,19 3.93,20 4.827,21 5.029,22 4.091,23 4.163,24 5.782,25 4.107,26 4.922,27 5.107,28 4.193,29 4.227,30 6.045,31 4.177,32 5.047,33 5.256,34 4.195,35 4.281,36 6.119,37 4.223,38 5.065,39 5.277,40 4.162,41 4.28,42 6.172,43 4.198,44 5.094,45 5.344,46 3.893,47 4.199,48 6.065,49 4.059,50 4.964,51 5.258,52 3.48,53 3.983,54 5.735,55 3.782,56 0.043,57 0.754,58 11.1,59 4.695,60 11.411,61 6.276,62 0.237,63 1.215,64 20.589,65 8.108,66 25.773,67 11.21,68 0.214,69 1.523,70 27.277,71 9.942,72 27.484,73 14.04,74 0.368,75 1.672,76 29.928,77 10.594,78 50.695,79 14.75,80 0.401,81 1.82,82 35.112,83 11.366,84 58.508,85 16.057,86 0.488,87 1.844,88 35.524,89 12.007,90 71.449,91 17.239,92 0.583,93 1.782,94 38.116,95 12.755,96 71.957,97 18.37,98 0.319,99 1.465,100 34.314,101 11.886,102 46.867,103 17.628,104 20,105 43,106 0.254,107 0.642,108 0.823,109 0.842,110 0.855,111 0.855,112 3.342,113 0.944,114 -3.41,115 -3.39,116 -3.25,121 41.2,122 2,123 4,124 1,127 1,138 1,141 1,144 2,145 3,146 1,147 2,148 1,149 1,158 1,165 1,166 1,167 1,176 9,179 1,180 10,183 1,185 3,187 12,189 2,192 6,197 3,200 9,203 2,205 1,206 11,208 2,209 3,211 8,214 8,216 4,219 10,224 5,227 10,229 3,231 1,232 3,234 1,235 2,236 1,237 2,238 1,239 12,241 1,243 3,244 3,246 1,247 2,249 1,251 10,256 4,261 3,264 4,266 1,269 4,274 1,277 1,281 1083,282 18.474,283 18.474,284 18.474,285 18.474,286 18.474,287 16.433,288 22.34,289 10.968,290 18.813,291 14.782,292 14.782,293 14.782,294 14.782,295 14.782,296 11.701,297 26.162,298 5.108,299 15.231,300 4.162,301 1.848,302 0.775,303 0.657,304 0.579,305 0.579,306 4.038,310 1,311 1,312 1,313 488,314 3.082,318 220.949,322 178.327,325 1.152,326 27.821,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 58,338 226,339 4.716,340 3.793,341 7.192,342 4.393,343 3.407,344 4.38,345 1.36,346 12.664,347 3.36,348 4.337,349 3.256,350 6.6,351 3.974,352 2.988,353 3.844,354 1.216,355 10.404,356 2.945,357 3.924,358 2.955,359 6.055,360 3.534,361 2.546,362 3.427,363 0.986,364 8.461,365 2.516,366 3.734,367 2.778,368 5.729,369 3.355,370 2.382,371 3.088,373 7.644,374 2.317,375 3.495,376 2.443,377 5.302,378 3.078,379 2.123,380 2.791,382 6.381,383 2.022,384 3.169,385 2.205,386 4.852,387 2.808,388 1.849,389 2.303,391 5.098,392 1.77,393 2.987,394 1.958,395 4.569,396 2.623,397 1.668,398 2.137,400 4.284,401 1.591,402 2.506,403 1.543,404 3.885,405 2.405,406 1.416,407 1.504,409 3.078,410 1.398,411 2.5,412 1.472,413 3.658,414 2.158,415 1.211,416 1.5,418 2.869,419 1.143,420 2.459,421 1.351,422 3.575,423 1.984,424 1,425 1.445,427 2.347,428 0.983,429 2.111,430 1.168,431 3.361,432 1.956,433 1,434 1.066,436 2.136,437 0.95,438 1.95,439 1,440 3.247,441 1.791,442 0.83,443 0.9,445 1.565,446 0.793,447 1.333,448 0.508,449 3.035,450 1.05,451 0.09,452 0.105,454 0.235,455 0.086,456 1.059,457 0.227,458 2.847,459 0.859,460 -0.101,461 -0.113,463 -0.262,464 -0.097,465 0.989,466 -0.081,467 2.627,468 0.639,469 -0.332,470 -0.407,472 -0.789,473 -0.322,474 12.767,475 0.473,476 0.645,477 0.024,478 33.5,479 1.241,480 16,481 0.593,482 17.5,483 0.648,484 26.345,485 0.976,486 29.233,487 0.573,488 24.887,489 0.922,490 6.205,491 0.23,492 6.908,493 0.256,494 0.136,496 0.392,501 0.949,502 1.236,503 0.843,504 1.061,505 1.015,506 0.955,507 0.722,508 1.087,509 0.789,510 0.974,511 0.55,512 0.906,513 1.004,514 1.077,515 0.85,516 0.926,517 0.866,518 0.873,519 1.098,520 1.151,521 0.995,522 1.091,523 1.217,524 1.039,525 1.484,526 1.07,527 1.079,528 0.962,529 1.504,530 0.958,531 1.049,532 1.18,533 1.099,534 1.155,535 1.004,536 1.135,537 1.082,538 0.96,539 1.197,540 1.097,541 1.177,542 1.156,543 0.791,544 0.971,545 1.038,546 1.078,547 0.827,548 1.093,549 4,550 0.021,551 2.889,552 2.688,553 2.604,554 1.535,555 0.853,556 0.488,557 0.176,558 0.095,559 7240,560 17270,561 2.097,562 47.1,563 7,564 4,566 2,567 3,568 5,569 3,572 1.714,573 1.952,574 2.999,575 0.908,576 1,577 1,582 77.016,583 1.51,584 3.825,585 4.898,586 5.015,587 5.094,588 5.094,589 2.434,590 4.459,591 4.725,592 3.131,593 1099.12,594 8.273,595 13303.3,597 1,599 1,600 289.294,601 1.447,602 4.681,603 0.133,604 0.005,605 0.067,606 0.054,607 0.049,608 0.029,609 0.017,610 0.014,611 0.008,612 0.009,613 0.386,614 0.5,615 1,616 1.113,617 128.492,618 -0.083,619 -0.042,620 0.038,621 0.03,622 -0.111,623 0.049,624 0.16,625 0.004,626 0.134,627 0.078,628 0.157,629 0.098,630 -0.074,631 -0.012,632 0.096,633 0.091,634 -0.071,635 0.115,636 0.042,637 -0.056,638 -0.035,639 -0.094,640 0.045,641 -0.081,642 -0.215,643 -0.015,644 -0.087,645 0.004,646 -0.153,647 -0.016,648 0.057,649 -0.131,650 -0.126,651 -0.18,652 0.118,653 -0.179,654 -0.017,655 0.015,656 -0.205,657 -0.138,658 -0.099,659 -0.192,660 -0.023,661 -0.094,662 -0.053,663 -0.103,664 -0.053,665 -0.084,666 1.775,667 4.631,668 0.741,669 20.346,670 0.998,671 1.129,672 2.184,673 4.771,674 0.658,675 3.434,676 3.784,677 4.143,678 4.511,679 4.828,680 4.99,681 5.165,682 5.342,683 5.442,684 5.403,685 5.098,686 0.623,687 364.49,688 3.434,689 4.99,690 5.878,691 6.795,692 7.709,693 8.64,694 9.566,695 10.502,696 11.433,697 12.372,698 7.8,702 1,707 1,708 2,715 4,716 2,720 6,722 12,733 1,741 51,743 14,745 30,747 54,748 21,749 10,752 3,756 4,757 7,763 2,767 4,768 1,770 4,772 13,773 8,774 1,777 2,785 1,786 3,789 1,790 1,793 24,794 6,795 3,796 6,802 4,808 0.5,809 2,822 2,829 4,833 2,839 1,850 1,857 1,858 1,859 2,864 2,868 27,869 1,875 1,876 5,878 1,880 1,893 3.9,895 1,897 1,901 13.833,902 9.717,903 6,904 3.356,907 2.846,908 1.367,909 0.975,910 4.878,911 10.601,912 3.664,913 4.277,914 4.887,915 5.508,916 6.111,917 6.486,918 6.933,919 7.364,920 7.703,921 7.875,922 0.833,923 50,924 10.022,926 4.325,927 0.026,929 7.66,931 19.337,933 16.257,936 2.16,937 58.333,940 1,941 247.193,942 93.789,943 83.254,945 53.683,948 93.789,949 300.876,950 83.254,951 17.65,952 14.731,953 51.85,954 113.553,955 54.156,956 2.328,957 223.651,959 247.193,960 177.042,961 53.683,964 211.88,965 77.997,966 11,968 70.018,969 73.453,970 33.571,972 247.193,973 136.937,974 93.789,977 247.193,978 39.091,979 54.698,981 136.937,982 247.193,983 136.937,984 93.789,986 0.577,987 0.356,988 0.217,989 0.127,990 22,991 10,992 0.056,993 3,994 2,995 1.2,996 3.623,997 254.264,998 0.2,999 20,1000 124.382,1005 17.996,1006 7.319,1007 3.103,1009 136.937,1010 7.358,1011 8.98,1015 5.419,1017 75.581,1018 477.919,1019 38,1027 4.687,1028 1.223,1031 50.898,1032 57.564,1034 0.266,1035 0.674,1036 0.863,1037 0.884,1038 0.898,1039 0.898,1040 4.927,1041 1.416,1042 5.878,1043 4.284,1044 4.466,1045 4.963,1046 2.161,1047 6.774,1048 4.415,1049 6.145,1050 1.211,1051 7.484,1052 3.078,1053 4.111,1054 4.82,1055 1.06,1056 7.851,1057 4.061,1058 7.477,1059 1,1060 9.199,1061 2.869,1062 6.12,1063 7.171,1064 2.408,1065 11.053,1066 6.038,1067 8.849,1068 1,1069 10.979,1070 2.347,1071 6.621,1072 7.851,1073 1.679,1074 12.987,1075 6.543,1076 10.255,1077 0.83,1078 12.801,1079 2.136,1080 8.106,1081 9.684,1082 2.762,1083 15.721,1084 8.003,1085 11.687,1086 0.09,1087 14.652,1088 1.565,1089 9,1090 10.747,1091 2.248,1092 18.004,1093 8.896,1094 13.138,1095 -0.101,1096 16.524,1097 0.235,1098 10.292,1099 12.367,1100 3.184,1101 20.589,1102 10.168,1103 3.407,1104 -0.332,1105 18.411,1106 -0.262,1107 11.363,1108 13.623,1109 2.825,1110 23.015,1111 11.232,1112 2.988,1113 12.664,1114 20.311,1115 -0.789,1116 12.589,1117 15.15,1118 3.653,1119 25.555,1120 12.442,1121 2.546,1122 10.404,1123 22.221,1124 4.38,1125 13.737,1126 16.506,1127 3.415,1128 28.041,1129 13.58,1130 2.382,1131 8.461,1132 24.139,1133 3.844,1134 14.945,1135 17.993,1136 4.154,1137 30.571,1138 14.773,1139 2.123,1140 7.644,1141 26.064,1142 3.427,1143 16.128,1144 19.401,1145 4.015,1146 33.082,1147 15.943,1148 1.849,1149 6.381,1150 27.994,1151 3.088,1152 17.334,1153 20.873,1154 4.679,1155 35.611,1156 17.135,1157 1.668,1158 5.098,1159 29.93,1160 2.791,1161 18.534,1162 22.308,1163 4.622,1164 38.135,1165 18.321,1166 7020,1167 10962,1168 19.997,1169 33.546,1170 45.509,1171 45.613,1172 47.586,1173 44.998,1174 45.018,1175 56.981,1176 7.124,1177 134.333,1178 43.746,1179 5.661,1180 5.793,1181 6.994,1182 5.446,1183 5.407,1184 7.38,1185 2.576,1186 20.359,1187 5.36,1188 12.702,1189 1.517,1190 1.52,1191 1.586,1192 1.5,1193 1.501,1194 1.899,1195 0.237,1196 4.478,1197 1.458,1198 4.086,1199 4.117,1200 4.05,1201 3.999,1202 6.473,1203 4.007,1204 3.856,1205 3.897,1206 3.788,1207 3.763,1208 5.124,1209 3.763,1210 3.704,1211 3.745,1212 3.634,1213 3.57,1214 4.898,1215 3.579,1216 3.517,1217 3.576,1218 3.378,1219 3.324,1220 4.78,1221 3.327,1222 3.381,1223 3.453,1224 3.224,1225 3.223,1226 4.521,1227 3.21,1228 3.173,1229 3.238,1230 3.046,1231 2.976,1232 4.363,1233 2.982,1234 3.102,1235 3.19,1236 2.91,1237 2.915,1238 3.971,1239 2.898,1240 2.898,1241 2.992,1242 2.781,1243 2.735,1244 3.893,1245 2.715,1246 0.157,1247 0.126,1248 0.24,1249 0.146,1250 0.114,1251 4.716,1252 0.146,1253 3.793,1254 0.045,1255 7.192,1256 0.422,1257 4.393,1258 0.112,1259 3.407,1260 4.38,1261 1.36,1262 12.664,1263 3.36,1264 2.026,1265 2,1266 2.118,1267 2.132,1268 1.426,1269 2.128,1270 1.846,1271 1.809,1272 1.989,1273 1.967,1274 1.241,1275 1.976,1276 1.666,1277 1.626,1278 1.826,1279 1.836,1280 0.94,1281 1.833,1282 1.482,1283 1.42,1284 1.781,1285 1.722,1286 0.86,1287 1.743,1288 1.381,1289 1.317,1290 1.615,1291 1.576,1292 0.773,1293 1.594,1294 1.137,1295 1.069,1296 1.453,1297 1.375,1298 0.72,1299 1.389,1300 1.108,1301 1.027,1302 1.363,1303 1.353,1304 0.519,1305 1.372,1306 0.886,1307 0.821,1308 1.181,1309 1.182,1310 0.218,1311 1.183,1312 4.111,1314 5.451,1316 7.018,1318 8.7,1320 10.445,1322 3.715,1326 6.665,1327 10.631,1328 4.492,1330 5.449,1332 -0.285,1340 31.783,1341 77.016,1342 195.052,1343 249.784,1344 255.784,1345 259.784,1346 259.784,1347 47.562,1348 7.754,1349 93.62,1350 93.62,1351 24,1352 12.87,1353 3.907,1354 3.17,1355 39.615,1356 79,1357 95,1358 0.245,1359 194.387,1360 341.08,1361 466.063,1362 22581,1364 18.966,1365 0.702,1366 0.581,1367 18.966,1368 15.697,1369 13.113,1370 0.437,1371 0.315,1372 9.335,1373 12.662,1374 9.081,1375 7.515,1376 13.113,1377 9.44,1378 11.672,1379 0.271,1380 0.162,1381 11.672,1382 6.958,1383 10.216,1384 0.165,1385 0.086,1386 10.216,1387 5.327,1388 9.406,1389 0.105,1390 0.046,1391 9.406,1392 4.098,1393 7.858,1394 0.063,1395 0.024,1396 7.858,1397 3.036,1398 0.361,1399 81.771,1400 0.224,1401 24.836,1402 0.757,1403 146,1404 388.133,1405 158.445,1406 378.066,1407 530.01,1408 356,1409 178,1410 403.076,1411 189.978,1412 407.566,1413 605.58,1414 386,1415 6.652}
{0 CHEMBL491526,1 1.429,2 12.269,3 3.414,4 11.653,5 106.122,6 6.602,7 0.444,8 4.042,9 4.168,10 3.497,11 3.517,12 5.1,13 3.481,14 4.586,15 4.801,16 3.772,17 3.859,18 5.527,19 3.811,20 4.724,21 4.899,22 3.889,23 4.054,24 5.768,25 3.966,26 4.973,27 5.232,28 3.832,29 4.077,30 5.907,31 3.952,32 4.902,33 5.159,34 3.732,35 4.024,36 5.843,37 3.9,38 4.787,39 5.026,40 3.592,41 3.986,42 5.702,43 3.817,44 4.848,45 5.162,46 3.499,47 3.816,48 5.675,49 3.654,50 4.405,51 4.594,52 3.394,53 3.64,54 5.442,55 3.535,56 0.026,57 0.73,58 12.543,59 5.084,60 9.877,61 7.053,62 0.306,63 1.115,64 23.011,65 7.337,66 23.044,67 10.662,68 0.265,69 1.306,70 25.613,71 10.156,72 31.112,73 13.982,74 0.302,75 1.474,76 33.717,77 11.828,78 51.157,79 17.114,80 0.518,81 1.39,82 31.836,83 10.469,84 54.491,85 15.301,86 0.211,87 1.293,88 27.155,89 10.991,90 38.028,91 15.706,92 0.388,93 1.192,94 30.226,95 10.049,96 51.245,97 14.946,98 0.183,99 0.889,100 18.874,101 6.91,102 30.331,103 9.576,104 50,105 36,106 0.24,107 0.505,108 0.67,109 0.746,110 0.799,111 0.805,112 3.303,113 0.959,114 -3.97,115 -3.93,116 -3.72,121 38.9,126 5,127 3,144 7,145 3,146 2,159 1,176 9,180 5,187 9,191 2,192 10,200 8,206 7,214 7,218 1,219 4,227 7,231 1,232 5,239 4,243 1,244 7,251 1,256 6,269 2,281 1072,282 17.24,283 17.24,284 17.24,285 17.24,286 17.24,287 15.763,288 20.06,289 10.163,290 17.783,291 13.154,292 13.154,293 13.154,294 13.154,295 13.154,296 10.758,297 24.3,298 4.643,299 13.789,300 4.326,301 2.746,302 1.763,303 1.311,304 0.996,305 0.959,306 3.965,310 1,311 1,312 1,313 645,314 4.062,318 197.9,325 2.115,326 19.848,328 1,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 56,338 319,339 4.398,340 3.589,341 6.429,342 4.04,343 3.037,344 4.036,345 0.916,346 9.852,347 3.057,348 4.13,349 3.161,350 6.099,351 3.734,352 2.771,353 3.717,354 0.86,355 8.827,356 2.658,357 3.837,358 2.953,359 5.505,360 3.542,361 2.578,362 3.223,363 0.86,364 7.419,365 2.485,366 3.418,367 2.587,368 5.17,369 3.217,370 2.276,371 2.639,372 0.8,373 6.182,374 2.131,375 3.254,376 2.328,377 4.849,378 2.995,379 2.053,380 2.323,381 0.172,382 5.539,383 1.938,384 2.993,385 2.197,386 4.526,387 2.783,388 1.825,389 2.057,391 4.798,392 1.731,393 2.919,394 1.973,395 4.373,396 2.521,397 1.609,398 2.014,400 4.128,401 1.461,402 2.516,403 1.828,404 3.719,405 2,406 1,407 1.5,409 2.356,410 1,411 2.5,412 1.051,413 3.414,414 1.994,415 0.967,416 1.383,418 2.275,419 0.98,420 1.866,421 1,422 3.031,423 1.539,424 0.622,425 0.746,427 1.192,428 0.564,429 1.562,430 0.934,431 2.953,432 1.466,433 0.507,434 0.527,436 1.061,437 0.483,438 1.451,439 0.728,440 2.581,441 1.181,442 0.326,443 0.357,445 0.434,446 0.276,447 1.134,448 0.265,449 2.413,450 0.862,451 -0.126,452 -0.147,454 -0.296,455 -0.123,456 0.822,457 0.032,458 2.259,459 0.433,460 -0.511,461 -0.623,463 -0.911,464 -0.468,465 0.584,466 -0.42,467 2.092,468 0.142,469 -0.828,470 -1,472 -2,473 -0.788,474 12.3,475 0.473,476 0.647,477 0.025,478 30.75,479 1.183,480 14.5,481 0.558,482 16.25,483 0.625,484 21.266,485 0.818,486 29.7,487 0.55,488 24.778,489 0.953,490 6.698,491 0.258,492 5.741,493 0.221,494 0.23,496 0.309,501 0.812,502 1.568,503 0.902,504 1.338,505 0.642,506 1.161,507 1.434,508 0.696,509 0.959,510 0.64,511 0.778,512 0.691,513 0.82,514 1.259,515 1.091,516 1.315,517 0.812,518 1.252,519 0.955,520 1.043,521 0.886,522 1,523 1.19,524 0.945,525 1.162,526 0.776,527 1.044,528 0.806,529 1.136,530 0.882,531 0.4,532 1.328,533 1.045,534 1.387,535 0.611,536 1.326,537 0.823,538 0.682,539 0.677,540 0.667,541 1.14,542 0.657,543 1.348,544 1.305,545 1.28,546 1.306,547 1.585,548 1.293,549 6,550 0.124,551 3.111,552 1.688,553 1.556,554 0.771,555 0.587,556 0.358,557 0.226,558 0.178,559 7811,560 18696,561 1.931,562 51.9,564 28,572 1.686,573 1.773,574 3.575,575 -0.798,577 1,582 77.164,583 1.429,584 3.009,585 3.992,586 4.444,587 4.759,588 4.796,589 3.142,590 4.364,591 4.665,592 3.756,593 1220.76,594 8.063,595 15955.9,597 1,599 1,600 310.764,601 1.526,602 4.606,603 0.222,604 0.008,605 0.086,606 0.044,607 0.044,608 0.024,609 0.023,610 0.014,611 0.01,612 0.01,613 0.487,614 0.5,615 1,616 1.752,617 130.042,618 0.017,619 -0.312,620 0.061,621 -0.17,622 -0.023,623 -0.068,624 -0.214,625 0.442,626 0.072,627 0.34,628 -0.023,629 0.273,630 0.093,631 -0.126,632 -0.124,633 -0.211,634 0.106,635 -0.199,636 -0.01,637 -0.082,638 0.09,639 -0.013,640 0.037,641 0.043,642 -0.072,643 0.228,644 -0.043,645 0.151,646 -0.024,647 0.078,648 0.155,649 -0.317,650 -0.132,651 -0.319,652 0.086,653 -0.275,654 0.078,655 0.178,656 0.297,657 0.252,658 0.07,659 0.297,660 -0.178,661 -0.235,662 -0.282,663 -0.251,664 -0.192,665 -0.28,666 1.696,667 5.713,668 0.462,669 29.112,670 0.994,671 1.13,672 2.744,673 7.528,674 0.635,675 3.332,676 3.611,677 3.807,678 3.97,679 4.159,680 4.159,681 4.263,682 4.234,683 4.19,684 4.263,685 7.169,686 0.593,687 356.51,688 3.332,689 4.844,690 5.659,691 6.509,692 7.345,693 8.199,694 9.045,695 9.901,696 10.753,697 11.612,698 3.7,701 2,715 7,720 5,722 12,727 1,739 2,741 54,743 13,744 2,745 27,747 55,748 21,749 12,750 5,751 7,752 1,756 2,757 2,772 13,773 8,777 1,782 1,786 1,789 1,790 1,793 28,794 5,796 5,802 2,808 1,809 3,829 2,855 2,859 2,864 5,868 26,876 3,878 2,881 2,893 5.6,896 1,898 2,901 14.667,902 11.233,903 6,904 2.921,907 2.202,908 1.326,909 0.921,910 7.487,911 8.962,912 3.555,913 4.078,914 4.6,915 5.083,916 5.604,917 5.782,918 6.077,919 6.223,920 6.448,921 6.776,922 1,923 38,924 9.6,926 3.799,927 0.026,929 7.673,931 18.444,933 14.09,936 2.173,937 56.5,939 1,940 1,941 329.591,942 144.783,943 6.249,945 47.145,948 144.783,949 376.736,950 6.249,951 46.955,952 6.317,953 66.334,954 30.278,955 48.292,957 329.591,959 329.591,960 151.032,961 47.145,964 329.591,965 47.145,968 12.566,969 138.466,972 329.591,973 53.393,974 144.783,977 329.591,978 31.494,979 119.538,981 47.145,982 329.591,983 53.393,984 144.783,986 0.57,987 0.326,988 0.164,989 0.09,990 14,991 8,992 0.164,993 9,995 1,996 3.753,997 197.748,999 12,1000 116.211,1005 20.275,1006 9.601,1007 5.742,1009 53.393,1010 13.013,1015 3.6,1018 527.767,1019 34,1024 12.713,1028 -0.029,1031 53.672,1032 61.022,1034 0.248,1035 0.523,1036 0.694,1037 0.772,1038 0.827,1039 0.833,1040 4.771,1041 1,1042 5.638,1043 4.128,1044 4.29,1045 4.762,1046 1.86,1047 6.399,1048 4.218,1049 5.952,1050 0.967,1051 7.177,1052 2.356,1053 3.892,1054 4.527,1055 0.57,1056 7.244,1057 3.797,1058 7.237,1059 0.622,1060 8.812,1061 2.275,1062 5.844,1063 6.874,1064 1.527,1065 10.267,1066 5.73,1067 8.557,1068 0.507,1069 10.502,1070 1.192,1071 6.217,1072 7.425,1073 0.581,1074 11.898,1075 6.097,1076 9.908,1077 0.326,1078 12.227,1079 1.061,1080 7.656,1081 9.279,1082 1.279,1083 14.454,1084 7.528,1085 11.28,1086 -0.126,1087 13.976,1088 0.434,1089 8.385,1090 10.201,1091 0.515,1092 16.423,1093 8.264,1094 12.67,1095 -0.511,1096 15.744,1097 -0.296,1098 9.615,1099 11.834,1100 1.07,1101 18.806,1102 9.492,1103 3.037,1104 -0.828,1105 17.525,1106 -0.911,1107 10.523,1108 12.952,1109 0.441,1110 20.931,1111 10.41,1112 2.771,1113 9.852,1114 19.318,1115 -2,1116 11.663,1117 14.47,1118 0.89,1119 23.246,1120 11.555,1121 2.578,1122 8.827,1123 21.12,1124 4.036,1125 12.66,1126 15.697,1127 0.373,1128 25.445,1129 12.565,1130 2.276,1131 7.419,1132 22.93,1133 3.717,1134 13.764,1135 17.154,1136 0.735,1137 27.732,1138 13.678,1139 2.053,1140 6.182,1141 24.745,1142 3.223,1143 14.806,1144 18.444,1145 0.314,1146 29.967,1147 14.734,1148 1.825,1149 5.539,1150 26.566,1151 2.639,1152 15.898,1153 19.866,1154 0.603,1155 32.245,1156 15.837,1157 1.609,1158 4.798,1159 28.391,1160 2.323,1161 16.964,1162 21.193,1163 0.264,1164 34.499,1165 16.917,1166 8025,1167 12600,1168 17.107,1169 34.273,1170 39.466,1171 40.73,1172 41.472,1173 39.088,1174 39.143,1175 49.046,1176 7.218,1177 108.127,1178 37.529,1179 5.293,1180 5.589,1181 5.982,1182 5.042,1183 5.037,1184 7.036,1185 1.776,1186 16.683,1187 5.057,1188 16.601,1189 1.462,1190 1.509,1191 1.536,1192 1.448,1193 1.45,1194 1.817,1195 0.267,1196 4.005,1197 1.39,1198 4.012,1199 4.032,1200 3.966,1201 3.942,1202 7.427,1203 3.945,1204 3.862,1205 3.889,1206 3.802,1207 3.78,1208 4.924,1209 3.782,1210 3.709,1211 3.785,1212 3.577,1213 3.499,1214 4.703,1215 3.507,1216 3.467,1217 3.553,1218 3.338,1219 3.241,1220 4.496,1221 3.253,1222 3.312,1223 3.354,1224 3.188,1225 3.08,1226 4.359,1227 3.097,1228 3.247,1229 3.314,1230 3.051,1231 2.952,1232 4.264,1233 2.96,1234 3.095,1235 3.158,1236 2.918,1237 2.891,1238 4.135,1239 2.882,1240 2.984,1241 3.094,1242 2.699,1243 2.765,1244 3.674,1245 2.732,1246 0.163,1247 0.133,1248 0.238,1249 0.15,1250 0.112,1251 4.398,1252 0.149,1253 3.589,1254 0.034,1255 6.429,1256 0.365,1257 4.04,1258 0.113,1259 3.037,1260 4.036,1261 0.916,1262 9.852,1263 3.057,1264 1.969,1265 1.953,1266 2.064,1267 2.058,1268 1.238,1269 2.06,1270 1.842,1271 1.821,1272 1.956,1273 1.969,1274 1.128,1275 1.966,1276 1.661,1277 1.581,1278 1.895,1279 1.885,1280 1.046,1281 1.893,1282 1.423,1283 1.341,1284 1.714,1285 1.691,1286 0.818,1287 1.704,1288 1.242,1289 1.193,1290 1.576,1291 1.525,1292 0.632,1293 1.54,1294 1.191,1295 1.115,1296 1.569,1297 1.519,1298 0.575,1299 1.533,1300 1.092,1301 1.02,1302 1.463,1303 1.316,1304 0.574,1305 1.369,1306 1.021,1307 0.915,1308 1.417,1309 1.276,1310 0.505,1311 1.308,1312 4.007,1314 5.293,1316 6.77,1318 8.331,1320 9.939,1322 9.387,1328 2.879,1330 10.499,1333 4.437,1340 32.036,1341 77.164,1342 162.467,1343 215.564,1344 239.97,1345 256.989,1346 258.989,1347 54.616,1348 6.76,1349 42.01,1350 42.01,1351 12,1352 12.165,1353 3.807,1354 3,1355 55.369,1356 111,1357 112,1358 0.245,1359 202.508,1360 355.23,1361 485.88,1362 7037,1364 19.104,1365 0.735,1366 0.626,1367 19.104,1368 16.282,1369 12.439,1370 0.461,1371 0.32,1372 8.458,1373 11.839,1374 8.017,1375 6.827,1376 12.439,1377 8.632,1378 10.862,1379 0.302,1380 0.184,1381 10.862,1382 6.637,1383 8.58,1384 0.195,1385 0.096,1386 8.58,1387 4.243,1388 6.517,1389 0.125,1390 0.051,1391 6.517,1392 2.667,1393 5.19,1394 0.082,1395 0.03,1396 5.19,1397 1.895,1398 0.394,1399 78.921,1400 0.242,1401 25.632,1402 0.644,1403 126,1404 376.497,1405 137.025,1406 356.568,1407 474.69,1408 334,1409 143,1410 327.896,1411 155.607,1412 342.538,1413 488.23,1414 312,1415 5.625}
{0 CHEMBL491527,1 1.416,2 11.417,3 4.467,4 19.956,5 95.683,6 7.187,7 0.48,8 3.869,9 3.976,10 3.399,11 3.406,12 5.034,13 3.38,14 4.37,15 4.549,16 3.673,17 3.726,18 5.416,19 3.691,20 4.503,21 4.645,22 3.81,23 3.9,24 5.669,25 3.839,26 4.727,27 4.948,28 3.744,29 3.925,30 5.806,31 3.833,32 4.64,33 4.84,34 3.605,35 3.879,36 5.75,37 3.766,38 4.59,39 4.843,40 3.463,41 3.78,42 5.578,43 3.629,44 4.445,45 4.7,46 3.325,47 3.541,48 5.494,49 3.427,50 4.104,51 4.273,52 3.188,53 3.345,54 5.25,55 3.27,56 0.006,57 0.571,58 9.236,59 4.289,60 9.476,61 5.444,62 0.216,63 0.9,64 17.399,65 6.389,66 20.548,67 8.244,68 0.165,69 1.025,70 18.706,71 8.169,72 25.629,73 10.487,74 0.247,75 1.216,76 25.875,77 9.805,78 47.826,79 13.065,80 0.361,81 1.114,82 23.411,83 9.15,84 53.975,85 11.967,86 0.206,87 1.064,88 22.509,89 9.259,90 38,91 12.958,92 0.279,93 0.877,94 20.414,95 7.406,96 47.947,97 10.056,98 0.149,99 0.644,100 13.393,101 5.119,102 29.344,103 6.427,104 38,105 33,106 0.245,107 0.583,108 0.724,109 0.8,110 0.818,111 0.826,112 3.227,113 0.908,114 -4.46,115 -4.39,116 -4.14,121 44.4,126 3,127 2,142 1,143 1,144 7,145 3,146 2,159 1,176 10,180 6,187 9,191 1,192 11,200 8,206 7,214 8,218 1,219 3,227 10,231 1,232 3,239 8,243 1,244 5,251 4,256 5,264 1,269 3,277 1,281 838,282 16.248,283 16.248,284 16.248,285 16.248,286 16.248,287 14.565,288 17.535,289 9.659,290 16.675,291 12.136,292 12.136,293 12.136,294 12.136,295 12.136,296 9.414,297 19.512,298 4.3,299 12.61,300 4.076,301 2.12,302 1.304,303 0.867,304 0.761,305 0.717,306 3.889,311 1,312 1,313 555,314 3.674,318 177.688,325 1.917,326 21.005,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 51.5,338 274,339 4.398,340 3.589,341 6.429,342 4.04,343 3.037,344 4.036,345 1.102,346 9.852,347 3.057,348 4.131,349 3.161,350 6.099,351 3.734,352 2.771,353 3.717,354 0.86,355 8.827,356 2.658,357 3.841,358 3.023,359 5.503,360 3.536,361 2.569,362 3.224,363 0.86,364 7.412,365 2.482,366 3.56,367 2.559,368 5.167,369 3.123,370 2.169,371 2.645,372 0.461,373 6.159,374 2.061,375 3.334,376 2.199,377 4.772,378 2.846,379 1.866,380 2.336,382 5.305,383 1.821,384 2.991,385 2.036,386 4.374,387 2.521,388 1.609,389 2.057,391 4.129,392 1.461,393 2.919,394 1.89,395 3.722,396 2.057,397 1.057,398 1.592,400 2.371,401 1.051,402 2.513,403 1.679,404 3.414,405 2,406 1,407 1.5,409 2.275,410 1,411 2.5,412 1.051,413 3.106,414 1.935,415 0.927,416 1.353,418 1.659,419 0.926,420 1.866,421 1,422 3.005,423 1.529,424 0.611,425 0.743,427 1.113,428 0.554,429 1.452,430 0.934,431 2.595,432 1.182,433 0.328,434 0.359,436 0.436,437 0.277,438 1.307,439 0.328,440 2.438,441 0.926,442 -0.064,443 -0.079,445 -0.143,446 -0.062,447 0.929,448 0.034,449 2.289,450 0.436,451 -0.505,452 -0.619,454 -0.868,455 -0.463,456 0.822,457 -0.288,458 2.096,459 0.394,460 -0.578,461 -0.82,463 -0.944,464 -0.554,465 0.583,466 -0.427,467 2,468 0.136,469 -0.831,470 -1.027,472 -2.037,473 -0.79,474 11.4,475 0.475,476 0.503,477 0.021,478 31,479 1.292,480 16.5,481 0.688,482 14.5,483 0.604,484 16.965,485 0.707,486 25.8,487 0.573,488 24.114,489 1.005,490 6.756,491 0.282,492 4.827,493 0.201,494 0.205,496 0.298,501 0.782,502 1.313,503 0.814,504 1.169,505 0.649,506 1.023,507 1.374,508 0.749,509 0.924,510 0.696,511 0.776,512 0.716,513 0.832,514 1.31,515 1.015,516 1.278,517 0.833,518 1.194,519 1.103,520 0.971,521 0.96,522 0.966,523 1.26,524 0.943,525 1.136,526 1.025,527 1.197,528 1.074,529 1.326,530 1.136,531 0.379,532 1.048,533 0.847,534 1.091,535 0.541,536 1.053,537 1.07,538 0.805,539 0.865,540 0.814,541 1.489,542 0.815,543 1.566,544 1.238,545 1.268,546 1.203,547 1.756,548 1.198,549 5,550 0.091,551 2.889,552 1.688,553 1.316,554 0.771,555 0.505,556 0.295,557 0.201,558 0.147,559 6061,560 16998,561 1.948,562 46.7,564 20,565 1,572 1.665,573 1.8,574 3.473,575 -0.823,577 1,582 63.701,583 1.416,584 3.372,585 4.188,586 4.625,587 4.73,588 4.775,589 2.98,590 4.085,591 4.55,592 3.613,593 997.31,594 7.838,595 12030.6,597 1,599 1,600 247.133,601 1.49,602 4.498,603 0.2,604 0.007,605 0.088,606 0.047,607 0.04,608 0.028,609 0.021,610 0.014,611 0.011,612 0.01,613 0.465,614 0.33,615 1,616 1.611,617 115.86,618 0.004,619 -0.202,620 0.051,621 -0.121,622 -0.034,623 -0.044,624 -0.196,625 0.338,626 0.051,627 0.271,628 -0.069,629 0.219,630 0.1,631 -0.27,632 -0.106,633 -0.251,634 0.073,635 -0.218,636 -0.073,637 0.006,638 0.025,639 0.009,640 -0.044,641 0.03,642 -0.06,643 -0.045,644 -0.228,645 -0.085,646 -0.155,647 -0.167,648 0.209,649 -0.109,650 0.094,651 -0.089,652 0.164,653 -0.027,654 0.016,655 0.12,656 0.156,657 0.149,658 -0.059,659 0.167,660 -0.216,661 -0.247,662 -0.28,663 -0.223,664 -0.268,665 -0.259,666 1.723,667 5.617,668 0.5,669 24.569,670 0.998,671 1.117,672 3.231,673 10.438,674 0.666,675 3.258,676 3.526,677 3.761,678 3.932,679 4.094,680 4.127,681 4.205,682 4.174,683 4.127,684 4.143,685 6.517,686 0.632,687 323.42,688 3.258,689 4.762,690 5.587,691 6.438,692 7.281,693 8.139,694 8.99,695 9.851,696 10.706,697 11.568,698 2.2,701 1,715 7,720 5,722 12,727 1,739 2,741 45,743 14,744 2,745 25,747 46,748 20,749 12,750 5,751 7,752 1,756 2,757 2,771 2,772 13,773 5,777 1,782 1,786 1,790 1,793 21,794 4,796 4,802 1,808 1,809 3,829 2,836 1,837 1,855 1,859 2,864 3,868 24,876 2,878 2,881 1,885 1,886 1,891 1,893 6.7,896 1,898 2,901 13.333,902 9.117,903 5.667,904 2.379,907 2.352,908 1.356,909 0.931,910 6.283,911 8.962,912 3.555,913 4.06,914 4.6,915 5.095,916 5.597,917 5.794,918 6.084,919 6.232,920 6.479,921 6.817,922 0.875,923 36,924 8.818,926 3.52,927 0.026,929 7.813,931 16.638,933 12.678,936 2.313,937 55.5,940 1,941 247.193,942 166.237,943 3.124,945 47.145,948 166.237,949 294.338,950 3.124,951 30.162,952 4.211,953 66.334,954 30.278,955 45.168,956 52.123,957 235.422,959 247.193,960 169.361,961 47.145,964 247.193,965 47.145,968 7.336,969 144.995,970 17.031,972 247.193,973 50.269,974 166.237,977 247.193,978 29.388,979 99.621,980 17.031,981 70.466,982 247.193,983 50.269,984 166.237,986 0.561,987 0.338,988 0.177,989 0.088,990 13,991 7,992 0.152,993 7,995 1,996 3.564,997 178.848,999 12,1000 106.039,1005 17.905,1006 8.422,1007 4.537,1009 50.269,1010 12.71,1015 3.434,1018 463.699,1019 34,1024 12.617,1028 -0.056,1031 44.92,1032 50.279,1034 0.258,1035 0.614,1036 0.763,1037 0.842,1038 0.861,1039 0.869,1040 4.771,1041 1,1042 5.557,1043 2.371,1044 4.205,1045 4.745,1046 1.894,1047 6.33,1048 4.147,1049 5.967,1050 0.927,1051 7.101,1052 2.275,1053 3.761,1054 4.46,1055 0.325,1056 7.191,1057 3.693,1058 7.26,1059 0.611,1060 8.744,1061 1.659,1062 5.765,1063 6.872,1064 1.723,1065 10.233,1066 5.674,1067 8.585,1068 0.328,1069 10.443,1070 1.113,1071 6.133,1072 7.401,1073 0.621,1074 11.88,1075 6.041,1076 9.939,1077 -0.064,1078 12.178,1079 0.436,1080 7.594,1081 9.28,1082 1.631,1083 14.44,1084 7.49,1085 11.312,1086 -0.505,1087 13.936,1088 -0.143,1089 8.333,1090 10.194,1091 0.855,1092 16.416,1093 8.234,1094 12.701,1095 -0.578,1096 15.712,1097 -0.868,1098 9.572,1099 11.835,1100 1.596,1101 18.801,1102 9.469,1103 3.037,1104 -0.831,1105 17.5,1106 -0.944,1107 10.488,1108 12.95,1109 1.057,1110 20.929,1111 10.394,1112 2.771,1113 9.852,1114 19.298,1115 -2.037,1116 11.633,1117 14.471,1118 1.607,1119 23.244,1120 11.542,1121 2.569,1122 8.827,1123 21.105,1124 4.036,1125 12.637,1126 15.697,1127 1.244,1128 25.444,1129 12.556,1130 2.169,1131 7.412,1132 22.917,1133 3.717,1134 13.744,1135 17.154,1136 1.658,1137 27.731,1138 13.671,1139 1.866,1140 6.159,1141 24.735,1142 3.224,1143 14.791,1144 18.444,1145 1.424,1146 29.967,1147 14.729,1148 1.609,1149 5.305,1150 26.558,1151 2.645,1152 15.885,1153 19.866,1154 1.741,1155 32.245,1156 15.833,1157 1.057,1158 4.129,1159 28.385,1160 2.336,1161 16.953,1162 21.194,1163 1.601,1164 34.499,1165 16.914,1166 6249,1167 10558,1168 16.008,1169 29.983,1170 37.089,1171 38.147,1172 38.382,1173 35.799,1174 35.884,1175 47.124,1176 6.565,1177 99.078,1178 34.696,1179 5.219,1180 5.589,1181 6.201,1182 5.04,1183 5.037,1184 7.036,1185 2.027,1186 16.683,1187 5.057,1188 14.228,1189 1.484,1190 1.526,1191 1.535,1192 1.432,1193 1.435,1194 1.885,1195 0.263,1196 3.963,1197 1.388,1198 4.011,1199 4.028,1200 3.965,1201 3.942,1202 7.427,1203 3.944,1204 3.86,1205 3.884,1206 3.801,1207 3.78,1208 5.43,1209 3.782,1210 3.629,1211 3.691,1212 3.527,1213 3.475,1214 4.923,1215 3.478,1216 3.343,1217 3.37,1218 3.268,1219 3.18,1220 4.7,1221 3.194,1222 3.247,1223 3.314,1224 3.056,1225 3.011,1226 4.496,1227 3.015,1228 3.208,1229 3.276,1230 3.05,1231 2.951,1232 4.266,1233 2.96,1234 3.066,1235 3.13,1236 2.888,1237 2.858,1238 4.152,1239 2.849,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.176,1247 0.144,1248 0.257,1249 0.162,1250 0.121,1251 4.398,1252 0.161,1253 3.589,1254 0.044,1255 6.429,1256 0.394,1257 4.04,1258 0.122,1259 3.037,1260 4.036,1261 1.102,1262 9.852,1263 3.057,1264 1.969,1265 1.952,1266 2.062,1267 2.056,1268 1.209,1269 2.058,1270 1.842,1271 1.821,1272 1.948,1273 1.956,1274 1.074,1275 1.954,1276 1.593,1277 1.535,1278 1.795,1279 1.787,1280 0.906,1281 1.794,1282 1.284,1283 1.253,1284 1.576,1285 1.527,1286 0.585,1287 1.54,1288 1.199,1289 1.129,1290 1.569,1291 1.522,1292 0.574,1293 1.535,1294 1.191,1295 1.115,1296 1.504,1297 1.404,1298 0.533,1299 1.44,1300 1.057,1301 0.984,1302 1.356,1303 1.279,1304 0.49,1305 1.303,1306 0.886,1307 0.821,1308 1.181,1309 1.064,1310 0.218,1311 1.107,1312 3.932,1314 5.209,1316 6.693,1318 8.267,1320 9.887,1322 5.075,1328 1.335,1330 10.444,1333 2.033,1337 5.3,1339 2.609,1340 28.434,1341 63.701,1342 151.725,1343 188.462,1344 208.114,1345 212.869,1346 214.869,1347 48.24,1348 6.609,1349 38.77,1350 38.77,1351 12,1352 12.119,1353 3.907,1354 3.322,1355 48.684,1356 93,1357 104,1358 0.26,1359 180.267,1360 321.65,1361 431.611,1362 5619,1364 17.527,1365 0.73,1366 0.592,1367 17.527,1368 14.205,1369 11.583,1370 0.463,1371 0.303,1372 7.43,1373 11.103,1374 7.098,1375 6.015,1376 11.583,1377 7.564,1378 9.679,1379 0.293,1380 0.166,1381 9.679,1382 5.472,1383 8.125,1384 0.193,1385 0.088,1386 8.125,1387 3.676,1388 6.392,1389 0.128,1390 0.049,1391 6.392,1392 2.429,1393 4.671,1394 0.079,1395 0.026,1396 4.671,1397 1.524,1398 0.413,1399 73.004,1400 0.25,1401 23.76,1402 0.696,1403 116,1404 366.852,1405 125.609,1406 351.111,1407 466.67,1408 328,1409 133,1410 322.488,1411 143.747,1412 335.854,1413 479.61,1414 308,1415 4.565}
{0 CHEMBL491528,1 1.367,2 13.103,3 4.933,4 24.336,5 116.024,6 7.176,7 0.563,8 4.072,9 4.176,10 3.618,11 3.655,12 5.145,13 3.623,14 4.61,15 4.775,16 3.942,17 4.038,18 5.603,19 3.989,20 4.82,21 4.989,22 4.057,23 4.208,24 5.849,25 4.128,26 4.968,27 5.186,28 3.946,29 4.196,30 5.946,31 4.082,32 4.936,33 5.174,34 3.81,35 4.128,36 5.875,37 3.995,38 4.8,39 5.046,40 3.692,41 4.033,42 5.705,43 3.882,44 4.715,45 4.971,46 3.607,47 3.876,48 5.653,49 3.749,50 4.445,51 4.634,52 3.505,53 3.733,54 5.462,55 3.635,56 0.021,57 0.689,58 11.22,59 5.319,60 8.114,61 6.791,62 0.21,63 1.16,64 21.396,65 8.57,66 19.752,67 11.052,68 0.23,69 1.415,70 26.116,71 11.223,72 29.594,73 14.8,74 0.26,75 1.598,76 32.316,77 12.831,78 46.796,79 17.156,80 0.437,81 1.526,82 32.284,83 12.459,84 53.56,85 16.829,86 0.235,87 1.347,88 27.411,89 11.594,90 37.842,91 16.137,92 0.3,93 1.196,94 26.291,95 10.217,96 44.871,97 13.891,98 0.174,99 0.929,100 18.763,101 7.639,102 29.097,103 9.872,104 14,105 44,106 0.225,107 0.509,108 0.673,109 0.789,110 0.84,111 0.853,112 3.407,113 0.921,114 -4.99,115 -4.9,116 -4.59,121 46.3,123 1,126 2,127 3,144 11,145 5,146 2,159 1,176 16,180 7,187 17,191 1,192 12,200 13,206 9,214 10,218 1,219 4,227 13,231 1,232 3,239 14,243 1,244 5,251 12,256 5,264 8,269 4,277 6,281 1288,282 20.049,283 20.049,284 20.049,285 20.049,286 20.049,287 17.821,288 21.118,289 11.74,290 20.468,291 15.658,292 15.658,293 15.658,294 15.658,295 15.658,296 12.165,297 25.204,298 5.393,299 16.127,300 4.388,301 2.67,302 1.673,303 0.968,304 0.658,305 0.584,306 4.108,311 1,312 1,313 828,314 3.162,318 373.79,322 147.412,325 2.107,326 21.225,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 61.5,338 380,339 4.398,340 3.589,341 6.429,342 4.041,343 3.038,344 4.036,345 0.995,346 9.852,347 3.057,348 4.232,349 3.231,350 6.186,351 3.915,352 2.933,353 3.816,354 0.86,355 9.242,356 2.887,357 4.128,358 3.16,359 6.099,360 3.728,361 2.764,362 3.716,363 0.86,364 8.827,365 2.653,366 3.831,367 2.832,368 5.548,369 3.506,370 2.525,371 3.223,372 0.359,373 7.55,374 2.467,375 3.398,376 2.361,377 5.206,378 3.1,379 2.142,380 2.642,382 6.323,383 2.043,384 3.17,385 2.197,386 4.934,387 2.84,388 1.861,389 2.309,391 5.647,392 1.815,393 2.927,394 1.983,395 4.41,396 2.614,397 1.618,398 2.071,400 4.357,401 1.612,402 2.919,403 1.909,404 4.374,405 2.521,406 1.609,407 2.057,409 4.129,410 1.461,411 2.825,412 1.831,413 3.726,414 2.395,415 1.4,416 1.935,418 3.005,419 1.392,420 2.517,421 1.464,422 3.614,423 2,424 1,425 1.5,427 2.361,428 1,429 2.5,430 1.051,431 3.414,432 1.994,433 0.967,434 1.385,436 2.275,437 0.981,438 1.905,439 1,440 3.187,441 1.69,442 0.705,443 0.824,445 1.624,446 0.693,447 1.865,448 0.934,449 3.025,450 1.53,451 0.611,452 0.743,454 1.123,455 0.555,456 1.452,457 0.801,458 2.92,459 1.184,460 0.329,461 0.36,463 0.445,464 0.279,465 1.328,466 0.449,467 2.57,468 1.068,469 0.085,470 0.1,472 0.216,473 0.083,474 13.9,475 0.479,476 0.585,477 0.02,478 38.5,479 1.328,480 20.5,481 0.707,482 18,483 0.621,484 22.431,485 0.773,486 30.5,487 0.565,488 29.045,489 1.002,490 7.96,491 0.274,492 6.214,493 0.214,494 0.096,496 0.317,501 0.754,502 1.196,503 0.798,504 1.079,505 0.591,506 0.965,507 1.261,508 0.87,509 0.945,510 0.812,511 0.767,512 0.822,513 0.783,514 1.207,515 1.001,516 1.168,517 0.733,518 1.12,519 1.063,520 1.139,521 1.074,522 1.111,523 1.273,524 1.095,525 1.038,526 0.916,527 1.057,528 0.932,529 1.113,530 0.985,531 0.404,532 1.05,533 0.906,534 1.09,535 0.564,536 1.068,537 0.965,538 0.809,539 0.856,540 0.825,541 1.369,542 0.831,543 1.296,544 1.129,545 1.151,546 1.116,547 1.541,548 1.12,549 5.5,550 0.14,551 3.333,552 1.75,553 1.671,554 0.806,555 0.625,556 0.319,557 0.205,558 0.185,559 12178,560 29076,561 2.111,562 46.3,564 23,569 2,572 1.713,573 2,574 3.671,575 -0.853,582 73.816,583 1.367,584 3.085,585 4.082,586 4.787,587 5.097,588 5.171,589 3.108,590 4.72,591 4.83,592 3.835,593 1557.06,594 8.377,595 21913.2,597 1,600 310.764,601 1.314,602 4.8,603 0.172,604 0.007,605 0.076,606 0.037,607 0.042,608 0.023,609 0.02,610 0.011,611 0.008,612 0.008,613 0.404,614 0.33,615 1,616 0.772,617 150.097,618 0.013,619 -0.118,620 0.067,621 -0.054,622 -0.007,623 0.001,624 -0.158,625 0.206,626 0.006,627 0.165,628 -0.05,629 0.121,630 0.09,631 -0.178,632 -0.076,633 -0.17,634 0.115,635 -0.149,636 -0.068,637 -0.145,638 -0.096,639 -0.136,640 -0.035,641 -0.122,642 -0.016,643 0.062,644 -0.061,645 0.041,646 -0.03,647 -0.006,648 0.181,649 -0.091,650 0.041,651 -0.089,652 0.143,653 -0.049,654 0.034,655 0.136,656 0.154,657 0.156,658 -0.009,659 0.166,660 -0.142,661 -0.146,662 -0.177,663 -0.129,664 -0.195,665 -0.155,666 1.69,667 5.846,668 0.759,669 30.595,670 0.994,671 1.113,672 3.765,673 14.172,674 0.676,675 3.497,676 3.807,677 4.094,678 4.317,679 4.554,680 4.575,681 4.691,682 4.762,683 4.828,684 4.883,685 7.601,686 0.639,687 387.51,688 3.497,689 5.03,690 5.883,691 6.751,692 7.615,693 8.486,694 9.353,695 10.224,696 11.092,697 11.964,698 1.9,701 1,715 11,720 7,722 18,727 1,739 2,741 54,743 19,744 3,745 32,747 57,748 25,749 18,750 7,751 11,752 1,756 4,757 5,767 1,770 1,772 19,773 6,777 1,782 1,786 1,793 25,794 4,796 4,802 1,808 0.75,809 3,829 4,833 1,855 1,859 3,864 2,868 29,876 4,878 2,881 1,893 5.6,896 1,898 2,901 14.5,902 10.367,903 6.528,904 3.133,907 3.302,908 1.425,909 0.989,910 5.865,911 11.062,912 3.761,913 4.337,914 4.914,915 5.421,916 5.946,917 6.076,918 6.375,919 6.603,920 6.914,921 7.249,922 0.889,923 47,924 10.731,926 4.499,927 0.026,929 7.615,931 20.809,933 17.05,936 2.115,937 61.333,939 1,940 1,941 294.278,942 166.405,943 3.124,945 47.145,948 166.405,949 341.422,950 3.124,951 21.766,952 8.852,953 104.239,954 30.278,955 51.539,957 294.278,959 294.278,960 169.529,961 47.145,964 270.735,965 70.687,968 11.976,969 157.553,972 294.278,973 50.269,974 166.405,977 294.278,978 40.4,979 129.129,981 47.145,982 294.278,983 50.269,984 166.405,986 0.575,987 0.351,988 0.188,989 0.101,990 21,991 9,992 0.105,993 6,994 1,995 1.091,996 4.156,997 249.441,998 0.091,999 22,1000 136.881,1005 19.533,1006 8.708,1007 4.302,1009 50.269,1010 21.826,1015 6.516,1018 510.951,1019 42,1024 12.846,1028 -0.024,1031 53.687,1032 60.109,1034 0.238,1035 0.536,1036 0.709,1037 0.832,1038 0.886,1039 0.899,1040 4.987,1041 1.609,1042 5.855,1043 4.357,1044 4.489,1045 5.024,1046 1.793,1047 6.648,1048 4.443,1049 6.177,1050 1.4,1051 7.404,1052 4.129,1053 4.007,1054 4.732,1055 0.325,1056 7.503,1057 3.955,1058 7.474,1059 1,1060 9.05,1061 3.005,1062 6.071,1063 7.178,1064 1.535,1065 10.569,1066 5.996,1067 8.804,1068 0.967,1069 10.753,1070 2.361,1071 6.415,1072 7.696,1073 0.504,1074 12.218,1075 6.338,1076 10.166,1077 0.705,1078 12.491,1079 2.275,1080 7.916,1081 9.599,1082 1.342,1083 14.783,1084 7.825,1085 11.549,1086 0.611,1087 14.252,1088 1.624,1089 8.643,1090 10.499,1091 0.585,1092 16.76,1093 8.554,1094 12.948,1095 0.329,1096 16.03,1097 1.123,1098 9.907,1099 12.157,1100 1.189,1101 19.14,1102 9.81,1103 3.038,1104 0.085,1105 17.82,1106 0.445,1107 10.819,1108 13.257,1109 0.622,1110 21.264,1111 10.724,1112 2.933,1113 9.852,1114 19.619,1115 0.216,1116 11.979,1117 14.787,1118 1.066,1119 23.571,1120 11.88,1121 2.764,1122 9.242,1123 21.425,1124 4.036,1125 12.98,1126 15.999,1127 0.639,1128 25.764,1129 12.885,1130 2.525,1131 8.827,1132 23.237,1133 3.816,1134 14.096,1135 17.459,1136 0.969,1137 28.041,1138 14,1139 2.142,1140 7.55,1141 25.054,1142 3.716,1143 15.14,1144 18.736,1145 0.646,1146 30.267,1147 15.049,1148 1.861,1149 6.323,1150 26.874,1151 3.223,1152 16.238,1153 20.157,1154 0.891,1155 32.534,1156 16.148,1157 1.618,1158 5.647,1159 28.698,1160 2.642,1161 17.304,1162 21.472,1163 0.648,1164 34.778,1165 17.219,1166 11481,1167 17866,1168 21.671,1169 36.506,1170 47.414,1171 49.072,1172 49.146,1173 47.098,1174 47.171,1175 61.432,1176 6.147,1177 133.951,1178 45.956,1179 5.343,1180 5.589,1181 6.116,1182 5.077,1183 5.038,1184 7.036,1185 1.855,1186 16.683,1187 5.057,1188 12.479,1189 1.482,1190 1.534,1191 1.536,1192 1.472,1193 1.474,1194 1.92,1195 0.192,1196 4.186,1197 1.436,1198 4.041,1199 4.071,1200 3.984,1201 3.967,1202 7.427,1203 3.967,1204 3.958,1205 3.978,1206 3.902,1207 3.893,1208 4.925,1209 3.892,1210 3.845,1211 3.865,1212 3.787,1213 3.774,1214 4.756,1215 3.775,1216 3.514,1217 3.575,1218 3.41,1219 3.353,1220 4.682,1221 3.357,1222 3.331,1223 3.365,1224 3.236,1225 3.146,1226 4.496,1227 3.16,1228 3.247,1229 3.314,1230 3.051,1231 2.989,1232 4.265,1233 2.981,1234 3.166,1235 3.241,1236 2.987,1237 2.952,1238 4.134,1239 2.959,1240 3.065,1241 3.124,1242 2.9,1243 2.896,1244 3.744,1245 2.887,1246 0.137,1247 0.112,1248 0.201,1249 0.126,1250 0.095,1251 4.398,1252 0.126,1253 3.589,1254 0.031,1255 6.429,1256 0.308,1257 4.041,1258 0.096,1259 3.038,1260 4.036,1261 0.995,1262 9.852,1263 3.057,1264 1.995,1265 1.968,1266 2.115,1267 2.096,1268 1.366,1269 2.105,1270 1.949,1271 1.929,1272 2.043,1273 2.033,1274 1.175,1275 2.034,1276 1.832,1277 1.813,1278 1.937,1279 1.929,1280 1.058,1281 1.933,1282 1.491,1283 1.43,1284 1.71,1285 1.678,1286 0.876,1287 1.691,1288 1.268,1289 1.232,1290 1.576,1291 1.526,1292 0.741,1293 1.54,1294 1.192,1295 1.116,1296 1.57,1297 1.521,1298 0.581,1299 1.535,1300 1.171,1301 1.097,1302 1.478,1303 1.385,1304 0.574,1305 1.422,1306 1.066,1307 1.004,1308 1.328,1309 1.256,1310 0.533,1311 1.277,1312 4.174,1314 5.485,1316 7.006,1318 8.615,1320 10.266,1322 3.152,1328 4.011,1330 10.554,1333 2.452,1340 34.487,1341 73.816,1342 166.599,1343 220.446,1344 258.499,1345 275.254,1346 279.254,1347 45.055,1348 7.76,1349 38.77,1350 38.77,1351 24,1352 12.506,1353 4.322,1354 3.459,1355 45.068,1356 136,1357 115,1358 0.163,1359 210.514,1360 369.89,1361 505.415,1362 27437,1364 20.217,1365 0.697,1366 0.581,1367 20.217,1368 16.851,1369 14.173,1370 0.443,1371 0.307,1372 9.696,1373 13.704,1374 9.379,1375 7.809,1376 14.173,1377 9.825,1378 12.269,1379 0.279,1380 0.166,1381 12.269,1382 7.325,1383 10.923,1384 0.185,1385 0.093,1386 10.923,1387 5.478,1388 8.869,1389 0.12,1390 0.052,1391 8.869,1392 3.853,1393 7.267,1394 0.077,1395 0.03,1396 7.267,1397 2.774,1398 0.264,1399 88.461,1400 0.215,1401 28.058,1402 0.427,1403 152,1404 416.852,1405 161.942,1406 400.544,1407 549.09,1408 378,1409 179,1410 394.84,1411 190.247,1412 407.869,1413 592.55,1414 380,1415 4.268}
{0 CHEMBL491561,1 1.68,2 8.548,3 4.734,4 22.414,5 113.656,6 7.845,7 0.353,8 4.117,9 4.229,10 3.705,11 3.64,12 5.268,13 3.637,14 4.691,15 4.854,16 4.178,17 4.056,18 6.214,19 4.038,20 4.92,21 5.109,22 4.278,23 4.248,24 6.024,25 4.221,26 5.058,27 5.232,28 4.428,29 4.323,30 6.356,31 4.317,32 5.203,33 5.401,34 4.446,35 4.385,36 6.471,37 4.377,38 5.207,39 5.398,40 4.506,41 4.405,42 6.497,43 4.389,44 5.305,45 5.514,46 4.5,47 4.354,48 6.877,49 4.315,50 5.234,51 5.501,52 3.956,53 4.179,54 6.359,55 4.067,56 0.147,57 1,58 10.443,59 5.435,60 31.162,61 6.342,62 0.941,63 1.953,64 22.416,65 9.455,66 153.626,67 11.599,68 0.482,69 1.947,70 28.124,71 11.352,72 63.232,73 14.615,74 0.743,75 2.323,76 32.192,77 12.408,78 103.948,79 14.948,80 1.072,81 2.581,82 40.553,83 13.708,84 152.65,85 16.203,86 0.869,87 2.634,88 38.667,89 14.422,90 120.551,91 17.797,92 2.097,93 2.78,94 46.756,95 14.794,96 274.46,97 19.158,98 1.317,99 2.403,100 48.441,101 15.751,102 207.433,103 19.186,104 56,105 51,106 0.278,107 0.643,108 0.811,109 0.847,110 0.871,111 0.877,112 3.474,113 0.911,114 -5.2,115 -5.09,116 -4.77,121 41.8,122 2,123 4,124 1,127 1,134 1,138 1,141 1,144 4,145 4,146 1,148 1,149 1,158 1,165 1,166 1,167 1,176 13,179 1,180 8,183 1,185 3,187 17,189 2,192 5,197 3,200 14,203 2,205 1,206 10,208 2,209 3,211 8,214 13,216 4,219 8,224 5,227 12,229 3,231 1,232 9,234 1,235 2,236 1,237 6,238 1,239 16,241 3,244 4,249 3,251 14,253 1,256 3,261 3,264 11,266 1,269 1,274 1,277 6,281 1618,282 20.446,283 20.446,284 20.446,285 20.446,286 20.446,287 18.443,288 25.227,289 11.823,290 20.963,291 16.744,292 16.744,293 16.744,294 16.744,295 16.744,296 13.635,297 28.983,298 5.489,299 17.574,300 4.102,301 1.895,302 0.878,303 0.659,304 0.514,305 0.478,306 4.162,311 1,312 1,313 562,314 4,318 263.221,322 206.624,325 1.176,326 60.073,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 70,338 265,339 4.751,340 4.475,341 7.365,342 4.448,343 3.487,344 4.394,345 3.825,346 13.081,347 3.394,348 4.504,349 3.789,350 7.086,351 4.189,352 3.285,353 4.025,354 1.36,355 11.898,356 3.014,357 4.307,358 3.256,359 6.595,360 3.947,361 2.97,362 3.754,363 1.216,364 10.367,365 2.864,366 3.784,367 2.972,368 6.058,369 3.467,370 2.499,371 3.1,372 0.986,373 8.463,374 2.417,375 3.688,376 2.785,377 5.796,378 3.301,379 2.36,380 2.925,382 7.76,383 2.166,384 3.47,385 2.479,386 5.328,387 3.07,388 2.119,389 2.742,391 6.469,392 2,393 3.169,394 2.218,395 4.877,396 2.808,397 1.849,398 2.302,400 5.114,401 1.77,402 2.987,403 2.046,404 4.783,405 2.657,406 1.678,407 2.137,409 4.679,410 1.635,411 2.59,412 1.549,413 4.079,414 2.407,415 1.416,416 1.623,418 3.092,419 1.402,420 2.506,421 1.472,422 3.833,423 2.199,424 1.23,425 1.504,427 3.02,428 1.184,429 2.461,430 1.362,431 3.654,432 2.109,433 1.141,434 1.448,436 2.821,437 1.089,438 2.112,439 1.321,440 3.605,441 1.957,442 1,443 1.067,445 2.361,446 0.951,447 1.96,448 1.155,449 3.387,450 1.805,451 0.838,452 0.91,454 1.578,455 0.805,456 1.335,457 0.511,458 3.078,459 1.053,460 0.092,461 0.107,463 0.239,464 0.088,465 1.077,466 0.51,467 2.85,468 0.865,469 -0.096,470 -0.107,472 -0.252,473 -0.092,474 14.224,475 0.459,476 1.023,477 0.033,478 35.75,479 1.153,480 16,481 0.516,482 19.75,483 0.637,484 33.618,485 1.084,486 34.976,487 0.636,488 32.25,489 1.04,490 6.819,491 0.22,492 7.916,493 0.255,494 0.182,495 0.035,496 0.387,498 3,501 0.664,502 0.973,503 0.722,504 1.047,505 0.678,506 0.94,507 0.425,508 0.772,509 0.646,510 0.95,511 0.338,512 0.901,513 0.647,514 0.902,515 0.711,516 0.952,517 0.521,518 0.878,519 0.931,520 1.088,521 0.918,522 1.099,523 0.893,524 1.025,525 1.259,526 1.048,527 1.071,528 0.927,529 1.188,530 0.92,531 0.901,532 1.158,533 0.913,534 1.172,535 0.869,536 1.076,537 0.761,538 0.936,539 1.011,540 1.114,541 0.768,542 1.148,543 1.315,544 1.104,545 1.25,546 1.05,547 1.397,548 1.109,549 6.5,550 0.058,551 4,552 3.5,553 3.013,554 2.25,555 1.67,556 0.872,557 0.431,558 0.169,559 9820,560 30330,561 2.02,562 43.6,563 7,564 6,567 3,568 5,569 3,572 1.751,573 1.833,574 3.005,575 0.876,582 92.384,583 1.68,584 3.886,585 4.904,586 5.122,587 5.267,588 5.304,589 2.423,590 4.543,591 4.926,592 3.172,593 1474.79,594 8.688,595 19688.1,597 1,600 317.975,601 1.705,602 4.848,603 0.191,604 0.008,605 0.078,606 0.059,607 0.046,608 0.034,609 0.025,610 0.015,611 0.013,612 0.008,613 0.478,614 0.33,615 1,616 1.219,617 153.923,618 -0.061,619 -0.001,620 0.014,621 0.05,622 -0.108,623 0.06,624 0.391,625 0.242,626 0.211,627 0.109,628 0.43,629 0.097,630 -0.025,631 -0.073,632 0.132,633 0.059,634 0.01,635 0.128,636 -0.059,637 -0.113,638 -0.036,639 -0.107,640 -0.042,641 -0.076,642 -0.217,643 -0.028,644 -0.118,645 0.042,646 -0.166,647 0.016,648 -0.015,649 -0.196,650 -0.002,651 -0.187,652 -0.018,653 -0.115,654 0.351,655 0.071,656 -0.015,657 -0.167,658 0.304,659 -0.217,660 -0.177,661 -0.047,662 -0.183,663 -0.067,664 -0.195,665 -0.108,666 5.831,667 5.94,668 0.645,669 23.671,670 1.02,671 1.144,672 3.973,673 15.786,674 0.652,675 3.555,676 3.951,677 4.277,678 4.644,679 4.963,680 5.165,681 5.357,682 5.489,683 5.635,684 5.638,685 5.387,686 0.636,687 431.5,688 3.555,689 5.142,690 6.028,691 6.963,692 7.879,693 8.823,694 9.751,695 10.698,696 11.632,697 12.58,698 5.5,702 1,707 1,708 1,715 4,716 1,720 7,722 12,733 1,741 55,743 14,744 1,745 34,747 58,748 23,749 11,750 2,751 4,752 3,756 4,757 7,763 3,767 4,768 1,769 1,770 4,772 14,773 9,774 1,777 2,785 1,786 3,791 3,793 24,794 8,795 3,796 8,802 3,808 0.5,809 2,822 1,829 4,833 2,839 1,850 1,857 1,858 1,859 2,864 2,866 3,868 31,869 1,875 1,876 5,878 1,880 1,882 1,892 3,893 3.6,895 1,897 1,901 16.917,902 10.445,903 6.694,904 3.565,907 3.055,908 1.378,909 0.975,910 5.74,911 11.139,912 3.761,913 4.394,914 4.994,915 5.615,916 6.213,917 6.62,918 7.063,919 7.461,920 7.833,921 8.062,922 0.833,923 59,924 12.15,926 5.89,927 0.026,929 8.153,931 21.49,933 18.182,936 2.653,937 82.25,940 1,941 247.193,942 105.591,943 66.468,945 53.683,946 44.88,948 105.591,949 300.876,950 111.349,951 17.65,952 14.731,953 70.802,954 73.226,955 84.127,956 2.328,957 247.193,958 7.76,959 247.193,960 172.06,961 98.564,964 211.88,965 122.877,966 11,968 59.683,969 95.591,970 16.786,972 292.073,973 120.151,974 105.591,977 254.953,978 42.276,979 55.555,981 165.032,982 247.193,983 165.032,984 105.591,986 0.593,987 0.353,988 0.209,989 0.122,990 26,991 13,992 0.052,993 3,994 2,995 1.2,996 3.768,997 313.454,998 0.2,999 20,1000 148.825,1005 21.703,1006 8.199,1007 3.805,1009 165.032,1010 5.335,1011 4.679,1015 2.012,1017 75.581,1018 517.816,1019 42,1027 4.514,1028 0.076,1031 56.101,1032 62.915,1034 0.291,1035 0.672,1036 0.848,1037 0.886,1038 0.911,1039 0.917,1040 5.063,1041 1.678,1042 6.08,1043 5.114,1044 4.635,1045 5.081,1046 3.351,1047 7.02,1048 4.55,1049 6.313,1050 1.416,1051 7.724,1052 4.679,1053 4.511,1054 5.085,1055 3.941,1056 8.287,1057 4.317,1058 7.671,1059 1.23,1060 9.481,1061 3.092,1062 6.382,1063 7.315,1064 5.464,1065 11.419,1066 6.21,1067 9.066,1068 1.141,1069 11.302,1070 3.02,1071 7.048,1072 8.087,1073 6.695,1074 13.464,1075 6.78,1076 10.493,1077 1,1078 13.163,1079 2.821,1080 8.472,1081 9.857,1082 8.062,1083 16.184,1084 8.205,1085 11.943,1086 0.838,1087 15.051,1088 2.361,1089 9.466,1090 10.975,1091 9.389,1092 18.525,1093 9.128,1094 13.41,1095 0.092,1096 16.958,1097 1.578,1098 10.742,1099 12.562,1100 10.735,1101 21.118,1102 10.388,1103 3.487,1104 -0.096,1105 18.878,1106 0.239,1107 11.869,1108 13.848,1109 12.074,1110 23.578,1111 11.463,1112 3.285,1113 13.081,1114 20.809,1115 -0.252,1116 13.1,1117 15.357,1118 13.417,1119 26.132,1120 12.669,1121 2.97,1122 11.898,1123 22.748,1124 4.394,1125 14.282,1126 16.726,1127 14.758,1128 28.641,1129 13.811,1130 2.499,1131 10.367,1132 24.695,1133 4.025,1134 15.502,1135 18.203,1136 16.1,1137 31.187,1138 15.003,1139 2.36,1140 8.463,1141 26.647,1142 3.754,1143 16.708,1144 19.615,1145 17.441,1146 33.719,1147 16.175,1148 2.119,1149 7.76,1150 28.603,1151 3.1,1152 17.928,1153 21.079,1154 18.783,1155 36.265,1156 17.368,1157 1.849,1158 6.469,1159 30.563,1160 2.925,1161 19.145,1162 22.513,1163 20.124,1164 38.808,1165 18.556,1166 9669,1167 17193,1168 21.789,1169 35.875,1170 52.659,1171 52.048,1172 55.051,1173 52.149,1174 51.925,1175 64.076,1176 14.775,1177 161.886,1178 49.556,1179 5.696,1180 6.475,1181 7.134,1182 5.502,1183 5.487,1184 7.394,1185 5.335,1186 21.06,1187 5.394,1188 18.451,1189 1.549,1190 1.531,1191 1.619,1192 1.534,1193 1.527,1194 1.885,1195 0.435,1196 4.761,1197 1.458,1198 4.097,1199 4.126,1200 4.064,1201 4.018,1202 8.513,1203 4.025,1204 3.902,1205 3.934,1206 3.855,1207 3.823,1208 7.999,1209 3.824,1210 3.73,1211 3.766,1212 3.661,1213 3.611,1214 7.999,1215 3.616,1216 3.518,1217 3.577,1218 3.38,1219 3.324,1220 6.473,1221 3.327,1222 3.381,1223 3.454,1224 3.323,1225 3.223,1226 5.122,1227 3.21,1228 3.316,1229 3.363,1230 3.224,1231 3.026,1232 4.804,1233 3.068,1234 3.182,1235 3.244,1236 3.053,1237 2.989,1238 4.671,1239 3.001,1240 3.104,1241 3.194,1242 2.913,1243 2.924,1244 4.519,1245 2.906,1246 0.14,1247 0.132,1248 0.217,1249 0.131,1250 0.103,1251 4.751,1252 0.129,1253 4.475,1254 0.113,1255 7.365,1256 0.385,1257 4.448,1258 0.1,1259 3.487,1260 4.394,1261 3.825,1262 13.081,1263 3.394,1264 2.037,1265 2.014,1266 2.123,1267 2.136,1268 1.428,1269 2.131,1270 1.891,1271 1.861,1272 2.022,1273 1.993,1274 1.274,1275 2.001,1276 1.701,1277 1.666,1278 1.853,1279 1.855,1280 0.982,1281 1.854,1282 1.482,1283 1.421,1284 1.789,1285 1.723,1286 0.932,1287 1.745,1288 1.381,1289 1.317,1290 1.619,1291 1.576,1292 0.773,1293 1.594,1294 1.157,1295 1.098,1296 1.453,1297 1.44,1298 0.722,1299 1.389,1300 1.119,1301 1.056,1302 1.387,1303 1.38,1304 0.566,1305 1.384,1306 1.091,1307 1.031,1308 1.206,1309 1.353,1310 0.267,1311 1.342,1312 4.234,1314 5.609,1316 7.197,1318 8.89,1320 10.642,1322 3.318,1324 41.819,1326 6.558,1327 10.659,1328 3.557,1330 5.308,1332 -1.003,1334 -4.581,1340 34.965,1341 92.384,1342 213.733,1343 269.71,1344 281.71,1345 289.71,1346 291.71,1347 86.726,1348 8.084,1349 80.73,1350 80.73,1351 24,1352 13.073,1353 3.907,1354 3.17,1355 48.61,1356 94,1357 115,1358 0.246,1359 210.371,1360 382.89,1361 505.066,1362 34301,1363 5.5,1364 22.336,1365 0.721,1366 0.561,1367 19.836,1368 17.383,1369 14.735,1370 0.433,1371 0.304,1372 10.16,1373 14.066,1374 9.944,1375 8.169,1376 13.524,1377 10.324,1378 14.195,1379 0.278,1380 0.152,1381 12.2,1382 7.762,1383 11.448,1384 0.161,1385 0.083,1386 10.694,1387 5.865,1388 10.525,1389 0.102,1390 0.044,1391 9.746,1392 4.527,1393 8.721,1394 0.061,1395 0.024,1396 8.091,1397 3.352,1398 0.362,1399 93.253,1400 0.214,1401 27.698,1402 0.766,1403 170,1404 652.821,1405 198.074,1406 549.265,1407 729.22,1408 510,1409 207,1410 523.964,1411 228.122,1412 509.725,1413 778.98,1414 481,1415 6.646}
{0 CHEMBL491562,1 1.236,2 13.071,3 5.8,4 33.637,5 116.239,6 7.167,7 0.742,8 3.998,9 4.109,10 3.549,11 3.666,12 5.075,13 3.612,14 4.499,15 4.66,16 3.866,17 4.048,18 5.507,19 3.974,20 4.753,21 4.937,22 3.924,23 4.188,24 5.762,25 4.077,26 4.884,27 5.134,28 3.802,29 4.117,30 5.832,31 3.982,32 4.719,33 4.941,34 3.709,35 4.039,36 5.69,37 3.909,38 4.718,39 4.969,40 3.614,41 3.995,42 5.615,43 3.842,44 4.6,45 4.846,46 3.535,47 3.878,48 5.546,49 3.737,50 4.397,51 4.611,52 3.431,53 3.76,54 5.357,55 3.628,56 0.038,57 0.606,58 10.132,59 4.732,60 7.729,61 6.395,62 0.113,63 1.046,64 18.033,65 7.693,66 12.836,67 10.48,68 0.107,69 1.305,70 23.907,71 10.748,72 25.573,73 14.667,74 0.228,75 1.526,76 30.11,77 12.272,78 44.481,79 16.744,80 0.174,81 1.281,82 24.565,83 10.318,84 33.547,85 14.014,86 0.138,87 1.268,88 25.064,89 10.927,90 30.708,91 15.154,92 0.21,93 1.118,94 22.504,95 9.561,96 35.454,97 13.08,98 0.09,99 0.911,100 17.357,101 7.69,102 21.29,103 10.553,104 5,105 42,106 0.204,107 0.433,108 0.568,109 0.749,110 0.818,111 0.837,112 3.374,113 0.923,114 -6.55,115 -6.38,116 -5.92,121 51,126 1,127 2,144 16,145 6,159 1,176 23,180 4,187 27,192 8,200 22,206 8,214 15,219 5,227 17,232 2,239 20,243 1,244 2,251 21,256 2,264 16,269 3,277 9,281 1238,282 19.223,283 19.223,284 19.223,285 19.223,286 19.223,287 16.453,288 12.066,289 11.562,290 19.297,291 15.332,292 15.332,293 15.332,294 15.332,295 15.332,296 11.242,297 16.141,298 5.543,299 15.432,300 4.436,301 3.052,302 2.233,303 1.135,304 0.721,305 0.603,306 4.075,312 1,313 805,314 3.317,318 366.253,322 140.527,325 2.148,326 13.824,329 0.75,330 0.83,331 0.83,332 0.5,333 0.5,334 0.83,335 1,336 0.75,337 57.5,338 366,339 4.465,340 3.585,341 6.431,342 4.058,343 3.044,344 4.359,345 0.995,346 9.869,347 3.085,348 4.218,349 3.036,350 6.117,351 3.798,352 2.796,353 3.829,354 0.359,355 8.922,356 2.804,357 3.945,358 2.867,359 5.579,360 3.637,361 2.663,362 3.457,364 7.661,365 2.596,366 3.834,367 2.674,368 5.365,369 3.446,370 2.445,371 3.31,373 7.003,374 2.446,375 3.407,376 2.233,377 5.135,378 3.049,379 2.075,380 2.716,382 6.085,383 2.022,384 3.123,385 1.95,386 4.63,387 2.805,388 1.831,389 2.427,391 4.963,392 1.773,393 3.118,394 1.82,395 4.421,396 2.618,397 1.618,398 2.259,400 4.369,401 1.618,402 2.91,403 1.618,404 3.754,405 2.423,406 1.421,407 2.1,409 3.06,410 1.423,411 2.781,412 1.486,413 3.585,414 2.373,415 1.382,416 1.864,418 2.989,419 1.368,420 2.504,421 1.379,422 3.555,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1,431 3.414,432 2,433 1,434 1.5,436 2.272,437 1,438 2.5,439 1,440 3.247,441 1.963,442 0.918,443 1.381,445 2.136,446 0.953,447 2.136,448 0.682,449 3.15,450 1.626,451 0.613,452 0.923,454 1.456,455 0.62,456 1.293,457 0.401,458 2.875,459 1.025,460 0.041,461 0.049,463 0.108,464 0.04,465 1.031,466 0.069,467 2.49,468 0.711,469 -0.272,470 -0.322,472 -0.63,473 -0.266,474 13.733,475 0.49,476 0.571,477 0.02,478 40,479 1.429,480 23.5,481 0.839,482 16.5,483 0.589,484 19.065,485 0.681,486 27.667,487 0.542,488 29.09,489 1.039,490 8.222,491 0.294,492 5.464,493 0.195,494 0.061,496 0.284,501 0.617,502 1.039,503 0.81,504 0.93,505 0.577,506 0.889,507 1.019,508 0.898,509 0.965,510 0.883,511 0.652,512 0.901,513 0.814,514 1.239,515 1.064,516 1.207,517 0.778,518 1.161,519 1.419,520 0.953,521 0.972,522 0.916,523 1.35,524 0.914,525 1.334,526 1.031,527 1.1,528 1.04,529 1.32,530 1.051,531 0.797,532 0.957,533 0.936,534 0.989,535 0.873,536 0.976,537 1.124,538 0.849,539 0.935,540 0.876,541 1.375,542 0.897,543 0.863,544 1.13,545 1.048,546 1.126,547 0.962,548 1.106,549 5,550 0.128,551 2.667,552 1.625,553 1.369,554 0.736,555 0.566,556 0.22,557 0.18,558 0.171,559 11553,560 25447,561 2.137,562 45.1,564 23,572 1.704,573 2.049,574 3.667,575 -0.919,582 63.04,583 1.236,584 2.62,585 3.44,586 4.538,587 4.952,588 5.069,589 3.111,590 4.352,591 4.778,592 3.836,593 1450.1,594 8.271,595 20056.8,600 289.294,601 1.198,602 4.76,603 0.161,604 0.007,605 0.063,606 0.039,607 0.038,608 0.022,609 0.019,610 0.008,611 0.007,612 0.009,613 0.373,614 0.5,615 0.88,616 0.444,617 143.751,618 0.03,619 -0.046,620 0.053,621 0.008,622 -0.039,623 0.027,624 -0.115,625 0.147,626 -0.048,627 0.049,628 -0.032,629 0.018,630 0.035,631 -0.271,632 -0.131,633 -0.242,634 0.074,635 -0.205,636 -0.043,637 0.051,638 0.054,639 0.062,640 0.002,641 0.064,642 -0.106,643 -0.037,644 -0.111,645 -0.07,646 -0.098,647 -0.087,648 0.045,650 0.055,651 0.009,652 0.035,653 0.03,654 0.092,655 0.114,656 0.077,657 0.119,658 -0.032,659 0.097,660 0.003,661 -0.169,662 -0.088,663 -0.145,664 -0.039,665 -0.127,666 1.602,667 5.854,668 0.786,669 30.531,670 0.983,671 1.103,672 5.325,673 28.355,674 0.703,675 3.466,676 3.761,677 4.007,678 4.234,679 4.454,680 4.443,681 4.575,682 4.654,683 4.7,684 4.727,685 7.579,686 0.657,687 365.5,688 3.466,689 4.99,690 5.826,691 6.683,692 7.531,693 8.392,694 9.245,695 10.109,696 10.965,697 11.83,698 2,701 1,714 2,715 16,720 4,722 23,727 1,741 51,743 24,744 4,745 31,747 54,748 26,749 22,750 6,751 16,752 1,756 4,757 5,772 23,773 3,777 1,782 1,786 1,793 23,794 2,796 2,802 1,808 0.75,809 1,829 4,833 1,855 1,859 3,864 1,868 28,876 2,881 1,893 2,896 1,901 13.667,902 9.45,903 6.167,904 2.99,907 4.203,908 1.556,909 1.018,910 5.321,911 11.76,912 3.795,913 4.401,914 4.999,915 5.566,916 6.147,917 6.34,918 6.745,919 7.102,920 7.473,921 7.638,922 0.889,923 42,924 10.352,926 4.35,927 0.026,929 7.56,931 20.161,933 16.585,936 2.06,937 57.667,941 270.735,942 187.249,943 3.124,945 25.145,948 187.249,949 295.88,950 3.124,951 8.396,952 4.211,953 151.62,954 30.278,955 21.013,957 270.735,959 270.735,960 190.374,961 25.145,964 270.735,965 25.145,968 7.336,969 183.038,972 270.735,973 28.269,974 187.249,977 270.735,978 27.233,979 163.141,981 25.145,982 270.735,983 28.269,984 187.249,986 0.575,987 0.331,988 0.178,989 0.096,990 20,991 8,992 0.111,993 6,994 1,995 1.091,996 4.163,997 233.931,998 0.091,999 22,1000 126.606,1005 18.157,1006 8.205,1007 4.383,1008 2.239,1009 28.269,1010 32.418,1015 3.957,1018 486.254,1019 43.5,1024 12.854,1028 0.065,1031 50.149,1032 56.275,1034 0.218,1035 0.462,1036 0.606,1037 0.8,1038 0.873,1039 0.894,1040 4.996,1041 1.421,1042 5.784,1043 4.369,1044 4.443,1045 5.088,1046 1.114,1047 6.541,1048 4.434,1049 6.194,1050 1.382,1051 7.306,1052 3.06,1053 3.892,1054 4.732,1055 0.325,1056 7.306,1057 3.883,1058 7.481,1059 1,1060 8.926,1061 2.989,1062 5.984,1063 7.29,1064 0.897,1065 10.389,1066 5.972,1067 8.805,1068 1,1069 10.605,1070 2.275,1071 6.256,1072 7.78,1073 0.504,1074 11.983,1075 6.259,1076 10.159,1077 0.918,1078 12.322,1079 2.272,1080 7.789,1081 9.771,1082 0.792,1083 14.557,1084 7.787,1085 11.537,1086 0.613,1087 14.066,1088 2.136,1089 8.459,1090 10.696,1091 0.585,1092 16.507,1093 8.479,1094 12.932,1095 0.041,1096 15.829,1097 1.456,1098 9.742,1099 12.416,1100 0.735,1101 18.893,1102 9.76,1103 3.044,1104 -0.272,1105 17.607,1106 0.108,1107 10.616,1108 13.581,1109 0.622,1110 21.007,1111 10.656,1112 2.796,1113 9.869,1114 19.396,1115 -0.63,1116 11.784,1117 15.164,1118 0.703,1119 23.32,1120 11.828,1121 2.663,1122 8.922,1123 21.194,1124 4.359,1125 12.762,1126 16.462,1127 0.639,1128 25.513,1129 12.826,1130 2.445,1131 7.661,1132 22.999,1133 3.829,1134 13.879,1135 17.977,1136 0.683,1137 27.798,1138 13.952,1139 2.075,1140 7.003,1141 24.811,1142 3.457,1143 14.91,1144 19.35,1145 0.646,1146 30.03,1147 15.003,1148 1.831,1149 6.085,1150 26.628,1151 3.31,1152 16.007,1153 20.833,1154 0.67,1155 32.306,1156 16.112,1157 1.618,1158 4.963,1159 28.449,1160 2.716,1161 17.066,1162 22.247,1163 0.648,1164 34.559,1165 17.19,1166 10761,1167 16089,1168 21.266,1169 35.836,1170 46.397,1171 46.981,1172 46.648,1173 45.734,1174 45.695,1175 63.348,1176 2.707,1177 126.338,1178 45.497,1179 5.331,1180 5.585,1181 6.233,1182 5.059,1183 5.044,1184 7.359,1185 1.754,1186 16.703,1187 5.085,1188 9.5,1189 1.497,1190 1.516,1191 1.505,1192 1.475,1193 1.474,1194 2.043,1195 0.087,1196 4.075,1197 1.468,1198 4.103,1199 4.121,1200 4.058,1201 4.062,1202 7.427,1203 4.058,1204 3.952,1205 3.987,1206 3.885,1207 3.886,1208 4.893,1209 3.882,1210 3.884,1211 3.911,1212 3.817,1213 3.831,1214 4.762,1215 3.824,1216 3.567,1217 3.619,1218 3.485,1219 3.454,1220 4.69,1221 3.454,1222 3.451,1223 3.506,1224 3.329,1225 3.288,1226 4.286,1227 3.289,1228 3.14,1229 3.175,1230 3.048,1231 3.022,1232 4.18,1233 3.019,1234 3.011,1235 3.067,1236 2.892,1237 2.917,1238 3.85,1239 2.905,1240 2.96,1241 3.048,1242 2.769,1243 2.797,1244 3.674,1245 2.778,1246 0.144,1247 0.116,1248 0.207,1249 0.131,1250 0.098,1251 4.465,1252 0.141,1253 3.585,1254 0.032,1255 6.431,1256 0.318,1257 4.058,1258 0.1,1259 3.044,1260 4.359,1261 0.995,1262 9.869,1263 3.085,1264 2.082,1265 2.066,1266 2.163,1267 2.136,1268 1.294,1269 2.145,1270 1.939,1271 1.91,1272 2.062,1273 2.036,1274 1.226,1275 2.048,1276 1.893,1277 1.867,1278 2.01,1279 1.967,1280 1.12,1281 1.983,1282 1.541,1283 1.505,1284 1.738,1285 1.724,1286 0.862,1287 1.733,1288 1.441,1289 1.372,1290 1.648,1291 1.596,1292 0.715,1293 1.615,1294 1.125,1295 1.087,1296 1.374,1297 1.286,1298 0.53,1299 1.306,1300 1.032,1301 0.983,1302 1.335,1303 1.222,1304 0.492,1305 1.273,1306 0.992,1307 0.908,1308 1.278,1309 1.176,1310 0.363,1311 1.214,1312 4.143,1314 5.442,1316 6.942,1318 8.527,1320 10.152,1322 2.112,1328 1.748,1333 2.273,1340 33.531,1341 63.04,1342 133.642,1343 175.419,1344 231.419,1345 252.539,1346 258.539,1347 40.145,1348 7.557,1349 20.31,1350 20.31,1351 24,1352 12.379,1353 4.644,1354 3.755,1355 42.79,1356 129,1357 120,1358 0.16,1359 206.26,1360 353.43,1361 495.033,1362 21927,1364 19.347,1365 0.691,1366 0.572,1367 19.347,1368 16.007,1369 13.687,1370 0.442,1371 0.308,1372 9.488,1373 13.516,1374 9.177,1375 7.683,1376 13.687,1377 9.538,1378 12.098,1379 0.288,1380 0.173,1381 12.098,1382 7.246,1383 10.155,1384 0.188,1385 0.092,1386 10.155,1387 4.976,1388 8.379,1389 0.123,1390 0.052,1391 8.379,1392 3.521,1393 6.773,1394 0.08,1395 0.028,1396 6.773,1397 2.398,1398 0.26,1399 83.394,1400 0.217,1401 27.422,1402 0.417,1403 146,1404 341.381,1405 149.852,1406 347.223,1407 481.66,1408 326,1409 169,1410 352.397,1411 173.823,1412 370.386,1413 534.82,1414 347,1415 4.708}
{0 CHEMBL492098,1 1.388,2 13.344,3 4.997,4 24.972,5 130.734,6 6.76,7 0.529,8 4.216,9 4.336,10 3.698,11 3.743,12 5.274,13 3.703,14 4.751,15 4.949,16 3.98,17 4.096,18 5.706,19 4.039,20 4.932,21 5.115,22 4.084,23 4.274,24 5.935,25 4.178,26 5.146,27 5.4,28 4.04,29 4.294,30 6.05,31 4.169,32 5.11,33 5.357,34 4.016,35 4.3,36 6.019,37 4.179,38 5.084,39 5.317,40 3.995,41 4.348,42 5.972,43 4.197,44 5.181,45 5.464,46 3.972,47 4.301,48 6.032,49 4.15,50 4.955,51 5.171,52 3.854,53 4.208,54 5.901,55 4.069,56 0.039,57 0.856,58 14.358,59 6.195,60 11.319,61 8.357,62 0.296,63 1.366,64 26.383,65 9.307,66 25.367,67 12.965,68 0.299,69 1.622,70 30.911,71 12.55,72 35.695,73 17.195,74 0.338,75 1.861,76 39.893,77 14.627,78 54.57,79 20.763,80 0.537,81 1.828,82 38.697,83 13.683,84 57.561,85 19.465,86 0.261,87 1.827,88 36.166,89 15.164,90 42.999,91 21.427,92 0.42,93 1.889,94 41.645,95 15.483,96 59.982,97 22.276,98 0.25,99 1.593,100 32.081,101 12.748,102 43.084,103 17.698,104 37,105 45,106 0.222,107 0.484,108 0.651,109 0.754,110 0.798,111 0.808,112 3.502,113 0.95,114 -5,115 -4.91,116 -4.6,121 42.2,126 4,127 4,144 12,145 4,146 2,159 1,176 15,180 6,187 15,191 2,192 12,200 11,206 9,214 8,218 1,219 6,227 11,231 1,232 7,239 12,243 1,244 9,251 11,256 7,264 8,269 3,277 5,281 1828,282 21.67,283 21.67,284 21.67,285 21.67,286 21.67,287 19.443,288 23.771,289 12.978,290 22.206,291 16.654,292 16.654,293 16.654,294 16.654,295 16.654,296 13.225,297 30.331,298 6.027,299 17.291,300 4.612,301 2.976,302 1.93,303 1.29,304 1.016,305 0.953,306 4.184,312 1,313 890,314 4.243,318 381.291,325 2.135,326 21.927,329 1,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.86,337 68,338 427,339 4.398,340 3.589,341 6.429,342 4.041,343 3.038,344 4.036,345 0.995,346 9.852,347 3.057,348 4.132,349 3.161,350 6.1,351 3.747,352 2.785,353 3.717,354 0.86,355 8.828,356 2.673,357 3.95,358 3.087,359 5.675,360 3.657,361 2.696,362 3.457,363 0.86,364 7.982,365 2.589,366 3.813,367 2.676,368 5.366,369 3.439,370 2.443,371 3.222,372 0.8,373 7.002,374 2.426,375 3.426,376 2.576,377 5.152,378 3.197,379 2.258,380 2.647,381 0.359,382 6.175,383 2.119,384 3.258,385 2.267,386 4.895,387 2.995,388 2.048,389 2.375,391 5.624,392 1.939,393 3.072,394 2.195,395 4.576,396 2.808,397 1.841,398 2.144,400 4.932,401 1.767,402 2.919,403 1.974,404 4.374,405 2.521,406 1.609,407 2.057,409 4.129,410 1.461,411 2.809,412 1.833,413 3.725,414 2.404,415 1.411,416 1.896,418 3.032,419 1.399,420 2.516,421 1.509,422 3.585,423 2,424 1,425 1.5,427 2.358,428 1,429 2.5,430 1.051,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.5,439 1,440 3.247,441 1.994,442 0.967,443 1.384,445 2.136,446 0.98,447 1.866,448 1,449 3.031,450 1.541,451 0.623,452 0.746,454 1.232,455 0.565,456 1.588,457 0.934,458 2.957,459 1.489,460 0.531,461 0.555,463 1.098,464 0.506,465 1.451,466 0.74,467 2.853,468 1.182,469 0.327,470 0.358,472 0.439,473 0.277,474 15.3,475 0.478,476 0.677,477 0.021,478 40.25,479 1.258,480 20.5,481 0.641,482 19.75,483 0.617,484 27.043,485 0.845,486 35.1,487 0.548,488 33.36,489 1.042,490 8.617,491 0.269,492 6.878,493 0.215,494 0.153,496 0.281,501 0.8,502 1.403,503 0.877,504 1.214,505 0.638,506 1.077,507 1.412,508 0.808,509 0.992,510 0.752,511 0.796,512 0.789,513 0.814,514 1.245,515 1.079,516 1.255,517 0.791,518 1.206,519 1.004,520 1.051,521 0.922,522 0.987,523 1.183,524 0.95,525 1.149,526 0.835,527 1.038,528 0.835,529 1.094,530 0.899,531 0.408,532 1.222,533 1,534 1.24,535 0.546,536 1.202,537 0.773,538 0.825,539 0.803,540 0.81,541 1.01,542 0.811,543 0.987,544 1.214,545 1.2,546 1.237,547 1.192,548 1.245,549 6.5,550 0.182,551 3.111,552 1.875,553 1.627,554 0.889,555 0.81,556 0.464,557 0.337,558 0.272,559 14472,560 34436,561 2.011,562 50,564 32,572 1.744,573 1.882,574 3.667,575 -0.836,582 88.863,583 1.388,584 3.024,585 4.07,586 4.71,587 4.984,588 5.047,589 3.066,590 4.39,591 4.971,592 3.885,593 1927.1,594 8.691,595 29635.6,597 1,600 384,601 1.4,602 4.929,603 0.191,604 0.008,605 0.069,606 0.04,607 0.037,608 0.02,609 0.019,610 0.011,611 0.009,612 0.01,613 0.415,614 0.33,615 0.88,616 1.207,617 170.925,618 0.023,619 -0.222,620 0.062,621 -0.111,622 -0.014,623 -0.036,624 -0.196,625 0.321,626 0.018,627 0.232,628 -0.04,629 0.173,630 0.099,631 -0.165,632 -0.119,633 -0.211,634 0.099,635 -0.195,636 -0.018,637 -0.072,638 0.066,639 -0.012,640 0.026,641 0.03,642 -0.065,643 0.188,644 -0.037,645 0.128,646 -0.028,647 0.065,648 0.134,649 -0.217,650 -0.075,651 -0.202,652 0.1,653 -0.171,654 0.048,655 0.118,656 0.172,657 0.158,658 0.049,659 0.177,660 -0.11,661 -0.19,662 -0.24,663 -0.215,664 -0.17,665 -0.24,666 1.703,667 5.954,668 0.563,669 37.445,670 0.991,671 1.123,672 3.775,673 14.247,674 0.653,675 3.555,676 3.829,677 4.043,678 4.234,679 4.443,680 4.454,681 4.575,682 4.595,683 4.625,684 4.727,685 7.987,686 0.611,687 432.61,688 3.555,689 5.069,690 5.889,691 6.737,692 7.575,693 8.428,694 9.274,695 10.13,696 10.981,697 11.839,698 3.1,701 2,715 12,720 6,722 18,727 1,739 2,741 64,743 19,744 3,745 34,747 66,748 27,749 18,750 6,751 12,752 1,756 3,757 3,772 19,773 8,777 1,782 1,786 1,793 32,794 5,796 5,802 2,808 1,809 3,829 3,855 2,859 3,864 4,868 32,876 4,878 2,881 2,893 4.7,896 1,898 2,901 17,902 12.65,903 7.333,904 3.557,907 2.934,908 1.399,909 0.948,910 8.717,911 10.293,912 3.807,913 4.337,914 4.862,915 5.351,916 5.866,917 5.968,918 6.271,919 6.475,920 6.76,921 7.132,922 0.889,923 47,924 11.823,926 4.761,927 0.026,929 7.615,931 22.863,933 17.895,936 2.115,937 67.667,941 376.675,942 189.059,943 6.249,945 47.145,948 189.059,949 423.82,950 6.249,951 38.559,952 8.423,953 113.715,954 30.278,955 51.478,957 376.675,959 376.675,960 195.308,961 47.145,964 376.675,965 47.145,968 14.671,969 180.636,972 376.675,973 53.393,974 189.059,977 376.675,978 36.785,979 158.522,981 47.145,982 376.675,983 53.393,984 189.059,986 0.566,987 0.325,988 0.169,989 0.094,990 18,991 9,992 0.167,993 11,995 1,996 4.326,997 271.814,999 18,1000 147.245,1005 23.837,1006 11.702,1007 6.84,1009 53.393,1010 23.654,1015 4.869,1018 619.128,1019 44,1024 12.954,1028 -0.036,1031 63.44,1032 71.853,1034 0.231,1035 0.504,1036 0.678,1037 0.785,1038 0.831,1039 0.841,1040 5.014,1041 1.609,1042 5.849,1043 4.932,1044 4.511,1045 5.024,1046 1.941,1047 6.597,1048 4.451,1049 6.188,1050 1.411,1051 7.372,1052 4.129,1053 4.007,1054 4.663,1055 0.57,1056 7.387,1057 3.923,1058 7.463,1059 1,1060 8.992,1061 3.032,1062 6.047,1063 7.125,1064 1.63,1065 10.43,1066 5.947,1067 8.773,1068 1,1069 10.668,1070 2.358,1071 6.347,1072 7.565,1073 0.674,1074 12.027,1075 6.235,1076 10.113,1077 0.967,1078 12.381,1079 2.275,1080 7.84,1081 9.501,1082 1.41,1083 14.58,1084 7.718,1085 11.475,1086 0.623,1087 14.12,1088 2.136,1089 8.52,1090 10.332,1091 0.694,1092 16.526,1093 8.396,1094 12.855,1095 0.531,1096 15.878,1097 1.232,1098 9.777,1099 12.019,1100 1.239,1101 18.9,1102 9.65,1103 3.038,1104 0.327,1105 17.65,1106 1.098,1107 10.652,1108 13.067,1109 0.692,1110 21.008,1111 10.529,1112 2.785,1113 9.852,1114 19.434,1115 0.439,1116 11.805,1117 14.619,1118 1.103,1119 23.314,1120 11.682,1121 2.696,1122 8.828,1123 21.227,1124 4.036,1125 12.78,1126 15.795,1127 0.684,1128 25.501,1129 12.665,1130 2.443,1131 7.982,1132 23.027,1133 3.717,1134 13.887,1135 17.27,1136 0.994,1137 27.78,1138 13.777,1139 2.258,1140 7.002,1141 24.834,1142 3.457,1143 14.914,1144 18.524,1145 0.674,1146 30.007,1147 14.815,1148 2.048,1149 6.175,1150 26.647,1151 3.222,1152 16.005,1153 19.956,1154 0.909,1155 32.279,1156 15.914,1157 1.841,1158 5.624,1159 28.465,1160 2.647,1161 17.06,1162 21.258,1163 0.666,1164 34.527,1165 16.982,1166 14246,1167 22163,1168 22.364,1169 41.796,1170 49.572,1171 50.927,1172 51.344,1173 49.198,1174 49.225,1175 63.277,1176 7.747,1177 134.377,1178 47.59,1179 5.298,1180 5.589,1181 6.231,1182 5.047,1183 5.038,1184 7.036,1185 1.855,1186 16.683,1187 5.057,1188 17.401,1189 1.458,1190 1.498,1191 1.51,1192 1.447,1193 1.448,1194 1.861,1195 0.228,1196 3.952,1197 1.4,1198 4.024,1199 4.048,1200 3.973,1201 3.951,1202 7.427,1203 3.953,1204 3.917,1205 3.946,1206 3.849,1207 3.848,1208 4.925,1209 3.843,1210 3.846,1211 3.869,1212 3.785,1213 3.776,1214 4.762,1215 3.776,1216 3.687,1217 3.766,1218 3.555,1219 3.482,1220 4.69,1221 3.489,1222 3.447,1223 3.521,1224 3.333,1225 3.239,1226 4.496,1227 3.251,1228 3.309,1229 3.352,1230 3.19,1231 3.09,1232 4.341,1233 3.106,1234 3.247,1235 3.314,1236 3.051,1237 2.953,1238 4.263,1239 2.961,1240 3.096,1241 3.158,1242 2.926,1243 2.902,1244 4.061,1245 2.895,1246 0.129,1247 0.106,1248 0.189,1249 0.119,1250 0.089,1251 4.398,1252 0.119,1253 3.589,1254 0.029,1255 6.429,1256 0.29,1257 4.041,1258 0.09,1259 3.038,1260 4.036,1261 0.995,1262 9.852,1263 3.057,1264 1.973,1265 1.955,1266 2.077,1267 2.067,1268 1.275,1269 2.071,1270 1.913,1271 1.884,1272 2.031,1273 2.01,1274 1.149,1275 2.016,1276 1.835,1277 1.815,1278 1.944,1279 1.935,1280 1.088,1281 1.941,1282 1.646,1283 1.567,1284 1.887,1285 1.876,1286 1.046,1287 1.886,1288 1.403,1289 1.331,1290 1.665,1291 1.647,1292 0.804,1293 1.657,1294 1.24,1295 1.192,1296 1.576,1297 1.524,1298 0.634,1299 1.54,1300 1.191,1301 1.115,1302 1.568,1303 1.516,1304 0.579,1305 1.531,1306 1.092,1307 1.022,1308 1.428,1309 1.311,1310 0.574,1311 1.353,1312 4.234,1314 5.517,1316 6.993,1318 8.552,1320 10.155,1322 7.334,1328 3.672,1330 10.591,1333 4.628,1340 39.089,1341 88.863,1342 193.522,1343 260.451,1344 301.471,1345 318.98,1346 322.98,1347 61.83,1348 7.359,1349 42.01,1350 42.01,1351 18,1352 12.392,1353 4.322,1354 3.459,1355 61.296,1356 156,1357 142,1358 0.191,1359 243.887,1360 427.85,1361 586.844,1362 15689,1364 22.924,1365 0.716,1366 0.605,1367 22.924,1368 19.376,1369 15.495,1370 0.456,1371 0.317,1372 10.596,1373 14.905,1374 10.145,1375 8.568,1376 15.495,1377 10.765,1378 13.362,1379 0.297,1380 0.18,1381 13.362,1382 8.095,1383 10.818,1384 0.193,1385 0.096,1386 10.818,1387 5.38,1388 8.479,1389 0.125,1390 0.052,1391 8.479,1392 3.561,1393 6.847,1394 0.082,1395 0.03,1396 6.847,1397 2.542,1398 0.307,1399 97.17,1400 0.211,1401 30.374,1402 0.505,1403 158,1404 440.497,1405 169.358,1406 423.455,1407 571.26,1408 398,1409 180,1410 401.248,1411 193.106,1412 418.356,1413 598.78,1414 385,1415 5.063}
{0 CHEMBL495711,1 1.481,2 12.133,3 3.115,4 9.706,5 115.621,6 7.188,7 0.515,8 4.109,9 4.238,10 3.639,11 3.679,12 5.191,13 3.646,14 4.646,15 4.817,16 3.989,17 4.084,18 5.694,19 4.018,20 4.965,21 5.189,22 4.077,23 4.215,24 6.031,25 4.127,26 4.972,27 5.206,28 4.004,29 4.162,30 6.005,31 4.076,32 4.926,33 5.15,34 4.037,35 4.146,36 6.085,37 4.065,38 4.973,39 5.202,40 3.963,41 4.106,42 6.137,43 4.012,44 4.922,45 5.175,46 3.707,47 3.964,48 5.988,49 3.844,50 4.73,51 5.01,52 3.575,53 3.785,54 5.711,55 3.667,56 0.048,57 0.821,58 11.766,59 5.055,60 9.786,61 6.839,62 0.176,63 1.329,64 21.409,65 8.833,66 25.445,67 12.292,68 0.421,69 1.7,70 32.158,71 11.482,72 66.043,73 16.254,74 0.394,75 1.686,76 33.027,77 10.815,78 58.38,79 15.402,80 0.384,81 1.616,82 30.93,83 10.655,84 72.665,85 15.246,86 0.439,87 1.601,88 33.292,89 11.37,90 84.007,91 15.81,92 0.467,93 1.47,94 32.845,95 10.391,96 80.942,97 14.522,98 0.278,99 1.205,100 27.223,101 9.026,102 48.402,103 13.066,104 10,105 45,106 0.242,107 0.582,108 0.734,109 0.845,110 0.885,111 0.885,112 3.44,113 0.945,114 -3.24,115 -3.23,116 -3.09,121 42.9,123 5,127 1,129 1,144 9,145 3,146 1,148 2,160 2,165 1,166 1,167 1,176 15,180 4,183 2,185 3,187 17,189 1,192 5,194 1,195 2,196 2,197 4,199 1,200 11,203 1,206 5,209 1,211 7,214 7,216 2,218 1,219 4,222 1,224 8,227 8,229 2,231 1,232 7,234 1,235 1,236 1,237 6,238 1,239 6,241 1,244 6,247 1,249 6,251 2,256 4,261 6,264 2,266 2,268 1,269 6,274 4,277 4,279 2,281 1492,282 20.482,283 20.482,284 20.482,285 20.482,286 20.482,287 18.159,288 18.089,289 12.353,290 20.603,291 16.32,292 16.32,293 16.32,294 16.32,295 16.32,296 12.707,297 15.5,298 5.91,299 16.504,300 4.326,301 2.249,302 1.315,303 0.636,304 0.393,305 0.393,306 4.139,311 1,312 1,313 798,314 4,318 315.448,322 239.985,325 1.791,326 30.86,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 64,338 364,339 4.645,340 3.735,341 6.836,342 4.214,343 3.234,344 4.566,345 1.984,346 11.38,347 3.168,348 4.009,349 3.597,350 5.982,351 3.78,352 2.784,353 3.467,354 1.924,355 8.37,356 2.764,357 3.917,358 3.305,359 5.926,360 3.524,361 2.532,362 3.441,363 0.349,364 8.221,365 2.512,366 3.791,367 2.729,368 5.441,369 3.436,370 2.441,371 3.061,372 0.148,373 6.997,374 2.424,375 3.669,376 2.663,377 5.288,378 3.328,379 2.334,380 2.959,382 6.697,383 2.313,384 3.386,385 2.276,386 4.939,387 2.978,388 1.993,389 2.638,391 5.683,392 1.951,393 2.935,394 1.936,395 4.116,396 2.523,397 1.529,398 2.138,400 3.455,401 1.518,402 2.927,403 1.594,404 3.975,405 2.505,406 1.509,407 2.086,409 3.329,410 1.5,411 2.586,412 1.463,413 3.807,414 2.345,415 1.347,416 1.613,418 3.242,419 1.343,420 2.5,421 1.444,422 3.594,423 2.242,424 1.247,425 1.5,427 2.902,428 1.24,429 2.487,430 1.438,431 3.546,432 2.153,433 1.183,434 1.486,436 2.765,437 1.141,438 2.407,439 1.35,440 3.478,441 2,442 1,443 1.351,445 2.136,446 1,447 1.996,448 1.081,449 3.247,450 1.794,451 0.808,452 0.929,454 2.049,455 0.794,456 1.693,457 1,458 2.956,459 1.359,460 0.359,461 0.432,463 0.817,464 0.353,465 1.409,466 0.419,467 2.817,468 1.002,469 0.027,470 0.035,472 0.069,473 0.026,474 14.267,475 0.476,476 0.644,477 0.021,478 38.25,479 1.275,480 19.5,481 0.65,482 18.75,483 0.625,484 25.647,485 0.855,486 31.933,487 0.57,488 29.199,489 0.973,490 7.389,491 0.246,492 7.225,493 0.241,494 0.075,496 0.315,501 0.76,502 1.14,503 0.837,504 0.978,505 0.63,506 0.916,507 0.567,508 1.231,509 0.903,510 1.135,511 0.566,512 1.074,513 0.948,514 1.027,515 0.97,516 0.985,517 0.96,518 0.982,519 1.351,520 1.014,521 1.083,522 0.94,523 1.235,524 0.963,525 0.957,526 1.109,527 0.981,528 1.058,529 0.858,530 1.016,531 1.33,532 1.103,533 1.085,534 1.109,535 1.434,536 1.079,537 1.715,538 0.959,539 1.218,540 0.981,541 1.789,542 1.032,543 1.146,544 0.878,545 0.858,546 0.842,547 1.118,548 0.816,549 5,550 0.165,551 3.111,552 1.75,553 1.911,554 0.972,555 0.425,556 0.351,557 0.3,558 0.233,559 12703,560 30137,561 2.107,562 46.4,563 6,564 12,567 4,568 2,569 2,572 1.727,573 2,574 3.516,575 1.564,576 1,577 1,582 82.961,583 1.481,584 3.559,585 4.492,586 5.171,587 5.414,588 5.414,589 2.859,590 4.057,591 4.881,592 3.734,593 1624.22,594 8.504,595 23182.1,597 1,599 1,600 325.212,601 1.295,602 4.851,603 0.152,604 0.006,605 0.069,606 0.037,607 0.044,608 0.022,609 0.011,610 0.012,611 0.011,612 0.008,613 0.373,614 0.17,615 1,616 0.496,617 155.537,618 -0.077,619 0.048,620 0.025,621 0.075,622 -0.057,623 0.069,624 0.138,625 -0.13,626 -0.007,627 -0.1,628 0.042,629 -0.08,630 0.072,631 0.001,632 0.005,633 -0.009,634 0.011,635 -0.015,636 -0.16,637 0.017,638 -0.08,639 0.005,640 -0.123,641 -0.021,642 0.114,643 -0.076,644 0.001,645 -0.094,646 0.172,647 -0.059,648 0.018,649 -0.13,650 -0.068,651 -0.147,652 0.017,653 -0.126,654 -0.224,655 -0.014,656 -0.167,657 -0.048,658 -0.207,659 -0.093,660 -0.028,661 0.032,662 0.174,663 0.113,664 0.011,665 0.165,666 2.033,667 5.64,668 0.667,669 28.249,670 0.996,671 1.125,672 2.005,673 4.021,674 0.666,675 3.526,676 3.829,677 4.094,678 4.357,679 4.635,680 4.663,681 4.762,682 4.883,683 4.934,684 4.796,685 7.273,686 0.631,687 402.54,688 3.526,689 5.056,690 5.9,691 6.77,692 7.636,693 8.515,694 9.391,695 10.275,696 11.157,697 12.046,698 7.1,699 1,705 2,708 1,714 2,715 9,716 1,720 4,722 17,741 56,743 19,744 2,745 33,747 59,748 24,749 15,750 3,751 9,756 4,757 7,767 4,770 6,772 17,773 7,777 2,782 2,786 2,790 1,793 26,794 6,795 4,796 6,802 4,808 0.5,809 2,822 1,829 4,833 2,843 2,851 1,859 2,868 30,869 1,876 6,877 2,880 1,893 3.6,896 2,901 15,902 9.7,903 6.639,904 3.468,907 3.157,908 1.41,909 1.002,910 6.294,911 10.855,912 3.795,913 4.369,914 4.929,915 5.508,916 6.114,917 6.362,918 6.716,919 7.079,920 7.365,921 7.208,922 0.875,923 47,924 11.175,926 4.821,927 0.026,929 7.756,931 21.424,933 17.898,936 2.256,937 67.667,940 1,941 258.964,942 126.076,943 85.704,945 50.29,948 126.076,949 309.254,950 85.704,952 83.697,953 85.286,954 76.485,955 16.602,957 258.964,959 258.964,960 211.78,961 50.29,964 235.422,965 73.832,968 88.598,969 106.396,970 16.786,972 258.964,973 135.994,974 126.076,977 258.964,978 40.789,979 85.286,980 36.022,981 99.973,982 258.964,983 135.994,984 126.076,986 0.574,987 0.334,988 0.183,989 0.108,990 21,991 9,992 0.102,993 6,994 2,995 1.2,996 4.202,997 263.396,998 0.2,999 20,1000 143.207,1005 20.367,1006 9.271,1007 4.821,1008 1.806,1009 135.994,1010 17.422,1011 4.783,1015 3.979,1017 68.919,1018 521.034,1019 43.5,1024 24.963,1028 -0.602,1031 55.781,1032 62.979,1034 0.255,1035 0.613,1036 0.774,1037 0.891,1038 0.932,1039 0.932,1040 5.019,1041 1.509,1042 5.866,1043 3.455,1044 4.511,1045 5.056,1046 2.652,1047 6.658,1048 4.486,1049 6.207,1050 1.347,1051 7.409,1052 3.329,1053 4.007,1054 4.832,1055 2.179,1056 7.526,1057 3.981,1058 7.504,1059 1.247,1060 9.056,1061 3.242,1062 6.075,1063 7.242,1064 3.691,1065 10.658,1066 6.021,1067 8.837,1068 1.183,1069 10.768,1070 2.902,1071 6.415,1072 7.878,1073 3.785,1074 12.406,1075 6.353,1076 10.206,1077 1,1078 12.522,1079 2.765,1080 7.932,1081 9.767,1082 4.89,1083 15.06,1084 7.846,1085 11.6,1086 0.808,1087 14.307,1088 2.136,1089 8.682,1090 10.834,1091 5.247,1092 17.188,1093 8.58,1094 13.014,1095 0.359,1096 16.113,1097 2.049,1098 9.969,1099 12.505,1100 6.157,1101 19.687,1102 9.846,1103 3.234,1104 0.027,1105 17.938,1106 0.817,1107 10.925,1108 13.798,1109 6.653,1110 21.984,1111 10.781,1112 2.784,1113 11.38,1114 19.776,1115 0.069,1116 12.12,1117 15.376,1118 7.458,1119 24.433,1120 11.956,1121 2.532,1122 8.37,1123 21.625,1124 4.566,1125 13.179,1126 16.785,1127 8.032,1128 26.805,1129 12.992,1130 2.441,1131 8.221,1132 23.484,1133 3.467,1134 14.342,1135 18.324,1136 8.779,1137 29.24,1138 14.133,1139 2.334,1140 6.997,1141 25.352,1142 3.441,1143 15.452,1144 19.79,1145 9.396,1146 31.644,1147 15.22,1148 1.993,1149 6.697,1150 27.226,1151 3.061,1152 16.608,1153 21.314,1154 10.11,1155 34.075,1156 16.353,1157 1.529,1158 5.683,1159 29.107,1160 2.959,1161 17.745,1162 22.807,1163 10.752,1164 36.494,1165 17.467,1166 11964,1167 18552,1168 22.364,1169 37.307,1170 49.168,1171 50.787,1172 50.079,1173 48.641,1174 48.655,1175 63.403,1176 8.812,1177 136.223,1178 48.097,1179 5.598,1180 5.735,1181 6.638,1182 5.255,1183 5.234,1184 7.566,1185 3.474,1186 18.912,1187 5.168,1188 12.079,1189 1.49,1190 1.539,1191 1.518,1192 1.474,1193 1.474,1194 1.921,1195 0.267,1196 4.128,1197 1.457,1198 4.114,1199 4.144,1200 4.076,1201 4.041,1202 7.433,1203 4.045,1204 3.932,1205 3.966,1206 3.856,1207 3.866,1208 7.424,1209 3.859,1210 3.733,1211 3.781,1212 3.633,1213 3.65,1214 4.994,1215 3.637,1216 3.7,1217 3.749,1218 3.61,1219 3.486,1220 4.963,1221 3.512,1222 3.503,1223 3.555,1224 3.416,1225 3.298,1226 4.735,1227 3.317,1228 3.243,1229 3.308,1230 3.115,1231 3.111,1232 4.407,1233 3.105,1234 3.135,1235 3.214,1236 3.007,1237 2.965,1238 4.129,1239 2.961,1240 3.023,1241 3.078,1242 2.902,1243 2.817,1244 3.988,1245 2.831,1246 0.141,1247 0.113,1248 0.207,1249 0.128,1250 0.098,1251 4.645,1252 0.138,1253 3.735,1254 0.06,1255 6.836,1256 0.345,1257 4.214,1258 0.096,1259 3.234,1260 4.566,1261 1.984,1262 11.38,1263 3.168,1264 2.071,1265 2.046,1266 2.156,1267 2.162,1268 1.432,1269 2.161,1270 1.924,1271 1.894,1272 2.056,1273 2.019,1274 1.222,1275 2.032,1276 1.754,1277 1.709,1278 1.949,1279 1.873,1280 1.147,1281 1.902,1282 1.613,1283 1.564,1284 1.783,1285 1.854,1286 0.903,1287 1.835,1288 1.434,1289 1.383,1290 1.64,1291 1.675,1292 0.801,1293 1.665,1294 1.236,1295 1.181,1296 1.465,1297 1.418,1298 0.751,1299 1.431,1300 1.132,1301 1.055,1302 1.423,1303 1.348,1304 0.612,1305 1.381,1306 0.963,1307 0.911,1308 1.216,1309 1.225,1310 0.267,1311 1.219,1312 4.205,1314 5.509,1316 7.018,1318 8.625,1320 10.287,1326 6.002,1328 4.33,1329 5.682,1332 -0.699,1340 35.31,1341 82.961,1342 199.293,1343 251.563,1344 289.602,1345 303.212,1346 303.212,1347 59.549,1348 7.698,1349 97.11,1350 97.11,1351 24,1352 12.578,1353 4.322,1354 3.524,1355 47.186,1356 132,1357 136,1358 0.171,1359 217.309,1360 376.8,1361 521.993,1362 26212,1364 20.924,1365 0.697,1366 0.562,1367 20.924,1368 16.857,1369 14.614,1370 0.443,1371 0.315,1372 10.301,1373 14.255,1374 10.102,1375 8.353,1376 14.614,1377 10.392,1378 12.929,1379 0.287,1380 0.171,1381 12.929,1382 7.699,1383 10.832,1384 0.184,1385 0.093,1386 10.832,1387 5.492,1388 8.837,1389 0.115,1390 0.051,1391 8.837,1392 3.958,1393 7.654,1394 0.075,1395 0.028,1396 7.654,1397 2.899,1398 0.274,1399 90.399,1400 0.211,1401 28.604,1402 0.457,1403 156,1404 413.094,1405 167.284,1406 406.423,1407 554.86,1408 380,1409 182,1410 404.667,1411 193.148,1412 411.478,1413 600.54,1414 390,1415 5.719}
{0 CHEMBL495712,1 1.504,2 12.939,3 3.409,4 11.621,5 126.707,6 7.36,7 0.568,8 4.194,9 4.323,10 3.75,11 3.764,12 5.279,13 3.739,14 4.734,15 4.9,16 4.122,17 4.187,18 5.784,19 4.132,20 5.042,21 5.26,22 4.202,23 4.317,24 6.107,25 4.238,26 5.063,27 5.289,28 4.128,29 4.28,30 6.094,31 4.199,32 5.029,33 5.255,34 4.126,35 4.245,36 6.156,37 4.16,38 5.061,39 5.291,40 4.079,41 4.196,42 6.221,43 4.105,44 5.016,45 5.267,46 3.852,47 4.065,48 6.102,49 3.957,50 4.847,51 5.121,52 3.717,53 3.895,54 5.856,55 3.789,56 0.052,57 0.908,58 12.352,59 5.25,60 10.585,61 7.04,62 0.176,63 1.477,64 22.612,65 9.369,66 25.924,67 12.92,68 0.426,69 1.869,70 34.002,71 12.298,72 66.285,73 17.24,74 0.422,75 1.886,76 35.384,77 11.724,78 59.533,79 16.46,80 0.419,81 1.805,82 33.919,83 11.886,84 73.673,85 16.866,86 0.513,87 1.774,88 36.068,89 12.383,90 86.824,91 17.191,92 0.497,93 1.641,94 35.884,95 11.321,96 87.257,97 15.7,98 0.34,99 1.372,100 30.708,101 9.851,102 56.252,103 14.142,104 10,105 52,106 0.24,107 0.606,108 0.77,109 0.864,110 0.901,111 0.907,112 3.532,113 0.923,114 -2.82,115 -2.83,116 -2.74,121 43.3,123 5,127 1,129 1,144 8,145 4,146 1,148 2,153 1,154 1,160 2,165 1,166 1,167 1,176 14,180 4,183 2,185 6,187 15,189 1,192 5,194 1,195 2,196 2,197 7,199 1,200 11,203 1,206 5,209 1,211 7,214 9,216 1,218 1,219 3,222 1,223 1,224 6,226 1,227 9,229 1,231 1,232 6,234 1,235 2,236 2,237 6,238 1,239 6,241 2,244 7,247 1,249 8,251 2,253 1,256 4,261 6,264 2,266 2,268 1,269 5,272 1,273 1,274 3,277 4,279 2,281 1863,282 22.637,283 22.637,284 22.637,285 22.637,286 22.637,287 19.908,288 18.089,289 13.408,290 22.812,291 18.285,292 18.285,293 18.285,294 18.285,295 18.285,296 14.002,297 15.5,298 6.374,299 18.558,300 4.403,301 2.117,302 1.092,303 0.5,304 0.267,305 0.233,306 4.242,311 1,312 1,313 956,314 4.123,317 76.94,318 325.249,321 143.54,322 265.269,325 1.895,326 33.391,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 70.5,338 427,339 4.645,340 3.736,341 6.836,342 4.214,343 3.234,344 4.566,345 1.984,346 11.38,347 3.168,348 4.529,349 3.598,350 6.538,351 4.067,352 3.08,353 4.474,354 1.924,355 10.314,356 3.04,357 3.922,358 3.305,359 5.982,360 3.69,361 2.696,362 3.441,363 0.349,364 8.37,365 2.669,366 3.907,367 3.129,368 5.885,369 3.524,370 2.532,371 3.106,372 0.148,373 8.012,374 2.512,375 3.684,376 2.663,377 5.441,378 3.367,379 2.378,380 2.973,382 6.985,383 2.344,384 3.406,385 2.294,386 5.113,387 3.005,388 2.024,389 2.731,391 5.951,392 1.98,393 3.361,394 2.275,395 4.938,396 2.938,397 1.941,398 2.627,400 5.647,401 1.927,402 3.046,403 1.786,404 4.221,405 2.518,406 1.546,407 2.318,409 3.808,410 1.503,411 2.935,412 1.594,413 4.116,414 2.509,415 1.519,416 2.138,418 3.329,419 1.501,420 2.682,421 1.546,422 3.914,423 2.345,424 1.347,425 1.743,427 3.302,428 1.343,429 2.586,430 1.444,431 3.792,432 2.305,433 1.32,434 1.613,436 3.156,437 1.294,438 2.487,439 1.438,440 3.594,441 2.242,442 1.247,443 1.486,445 2.902,446 1.24,447 2.432,448 1.35,449 3.572,450 2.074,451 1.1,452 1.381,454 2.652,455 1.068,456 2.039,457 1.187,458 3.502,459 1.797,460 0.813,461 0.94,463 2.061,464 0.797,465 1.991,466 1.081,467 3.125,468 1.567,469 0.608,470 0.838,472 1.405,473 0.581,474 15.667,475 0.475,476 0.747,477 0.023,478 42.75,479 1.295,480 21.5,481 0.652,482 21.25,483 0.644,484 29.012,485 0.879,486 34.733,487 0.579,488 33.354,489 1.011,490 8.224,491 0.249,492 7.873,493 0.239,494 0.068,496 0.351,501 0.805,502 1.137,503 0.815,504 0.94,505 0.634,506 0.877,507 0.599,508 1.215,509 0.873,510 1.098,511 0.564,512 1.033,513 0.939,514 1.033,515 0.955,516 0.984,517 0.948,518 0.976,519 1.352,520 1.025,521 1.129,522 0.973,523 1.233,524 1.006,525 0.907,526 1.092,527 0.998,528 1.085,529 0.841,530 1.05,531 1.205,532 1.068,533 1.05,534 1.104,535 1.38,536 1.072,537 1.698,538 0.986,539 1.199,540 0.995,541 1.833,542 1.031,543 1.3,544 0.886,545 0.921,546 0.852,547 1.305,548 0.836,549 5.5,550 0.153,551 4,552 2.229,553 1.897,554 1.191,555 0.578,556 0.383,557 0.345,558 0.284,559 17438,560 41019,561 2.15,562 45,563 6,564 11,565 1,567 5,568 2,569 2,572 1.75,573 2.041,574 3.604,575 2.281,577 1,582 90.21,583 1.504,584 3.79,585 4.815,586 5.407,587 5.64,588 5.674,589 2.959,590 4.537,591 5.022,592 3.835,593 2024.75,594 8.776,595 31199.3,597 1,600 354.413,601 1.301,602 4.989,603 0.149,604 0.005,605 0.077,606 0.041,607 0.039,608 0.025,609 0.013,610 0.011,611 0.011,612 0.009,613 0.38,614 0.17,615 0.88,616 0.467,617 176.796,618 -0.095,619 0.048,620 0.028,621 0.087,622 -0.061,623 0.081,624 0.115,625 -0.114,626 0.008,627 -0.073,628 0.039,629 -0.053,630 0.057,631 -0.008,632 0.01,633 -0.002,634 0.016,635 -0.007,636 -0.192,637 0.012,638 -0.138,639 -0.023,640 -0.141,641 -0.063,642 0.121,643 -0.076,644 -0.019,645 -0.116,646 0.161,647 -0.085,648 0.1,649 -0.102,650 -0.033,651 -0.139,652 0.058,653 -0.113,654 -0.218,655 -0.043,656 -0.143,657 -0.054,658 -0.192,659 -0.084,660 -0.079,661 0.029,662 0.132,663 0.102,664 -0.029,665 0.143,666 2.077,667 5.769,668 0.697,669 31.647,670 0.998,671 1.125,672 1.586,673 2.515,674 0.672,675 3.638,676 3.97,677 4.277,678 4.564,679 4.82,680 4.883,681 4.99,682 5.094,683 5.1,684 4.997,685 7.836,686 0.639,687 441.58,688 3.638,689 5.187,690 6.052,691 6.938,692 7.822,693 8.715,694 9.605,695 10.501,696 11.394,697 12.291,698 8.3,699 1,705 2,706 1,708 1,714 4,715 9,716 1,717 1,720 4,722 21,741 60,743 23,744 2,745 37,747 64,748 26,749 17,750 4,751 8,756 5,757 9,767 4,770 6,772 19,773 7,777 2,782 2,786 2,790 1,793 27,794 6,795 5,796 7,802 5,808 0.4,809 2,822 1,824 1,828 1,829 4,832 1,833 2,843 2,851 1,859 2,868 33,869 1,876 6,877 2,880 1,893 3.3,896 2,901 16.167,902 10.45,903 7.194,904 3.711,907 4.155,908 1.505,909 1.033,910 6.122,911 12.386,912 3.922,913 4.551,914 5.18,915 5.804,916 6.372,917 6.685,918 7.057,919 7.409,920 7.535,921 7.449,922 1,923 54,924 12.294,926 5.394,927 0.026,929 7.727,931 23.606,933 20.083,936 2.227,937 73.5,940 1,941 258.964,942 130.364,943 102.49,945 50.29,948 130.364,949 309.254,950 102.49,952 83.697,953 84.857,954 76.485,955 35.96,956 13.915,957 247.193,959 258.964,960 232.854,961 50.29,964 235.422,965 73.832,968 105.383,969 110.685,970 16.786,972 258.964,973 152.78,974 130.364,977 258.964,978 45.507,979 84.857,980 52.807,981 99.973,982 258.964,983 152.78,984 130.364,986 0.581,987 0.347,988 0.193,989 0.111,990 26,991 11,992 0.094,993 6,994 3,995 1.261,996 4.473,997 309.757,998 0.261,999 23,1000 162.465,1005 21.628,1006 9.342,1007 4.497,1008 3.854,1009 135.994,1010 17.603,1011 4.798,1012 3.193,1015 3.959,1017 85.704,1018 542.108,1019 49.5,1024 25.34,1028 -0.621,1031 59.883,1032 67.478,1034 0.255,1035 0.642,1036 0.815,1037 0.915,1038 0.955,1039 0.96,1040 5.16,1041 1.546,1042 6.033,1043 5.647,1044 4.654,1045 5.239,1046 2.652,1047 6.86,1048 4.623,1049 6.371,1050 1.519,1051 7.598,1052 3.808,1053 4.205,1054 5.112,1055 2.179,1056 7.789,1057 4.174,1058 7.688,1059 1.347,1060 9.267,1061 3.329,1062 6.256,1063 7.509,1064 3.691,1065 10.925,1066 6.193,1067 9.044,1068 1.32,1069 10.999,1070 3.302,1071 6.661,1072 8.263,1073 3.785,1074 12.716,1075 6.592,1076 10.437,1077 1.247,1078 12.771,1079 3.156,1080 8.159,1081 10.128,1082 4.89,1083 15.363,1084 8.066,1085 11.855,1086 1.1,1087 14.571,1088 2.902,1089 8.962,1090 11.293,1091 5.247,1092 17.506,1093 8.856,1094 13.293,1095 0.813,1096 16.392,1097 2.652,1098 10.24,1099 12.947,1100 6.157,1101 19.992,1102 10.113,1103 3.234,1104 0.608,1105 18.228,1106 2.061,1107 11.229,1108 14.303,1109 6.653,1110 22.284,1111 11.086,1112 3.08,1113 11.38,1114 20.076,1115 1.405,1116 12.421,1117 15.87,1118 7.458,1119 24.717,1120 12.258,1121 2.696,1122 10.314,1123 21.933,1124 4.566,1125 13.497,1126 17.312,1127 8.032,1128 27.074,1129 13.315,1130 2.532,1131 8.37,1132 23.797,1133 4.474,1134 14.657,1135 18.844,1136 8.779,1137 29.491,1138 14.456,1139 2.378,1140 8.012,1141 25.668,1142 3.441,1143 15.774,1144 20.324,1145 9.396,1146 31.879,1147 15.553,1148 2.024,1149 6.985,1150 27.544,1151 3.106,1152 16.925,1153 21.842,1154 10.11,1155 34.292,1156 16.685,1157 1.941,1158 5.951,1159 29.425,1160 2.973,1161 18.061,1162 23.339,1163 10.752,1164 36.695,1165 17.801,1166 15967,1167 24637,1168 25.255,1169 40.313,1170 56.009,1171 57.706,1172 57.073,1173 55.466,1174 55.496,1175 73.638,1176 8.812,1177 160.209,1178 54.649,1179 5.599,1180 5.736,1181 6.522,1182 5.257,1183 5.234,1184 7.566,1185 3.474,1186 18.912,1187 5.168,1188 12.805,1189 1.514,1190 1.56,1191 1.543,1192 1.499,1193 1.5,1194 1.99,1195 0.238,1196 4.33,1197 1.477,1198 4.141,1199 4.175,1200 4.097,1201 4.06,1202 7.433,1203 4.065,1204 4.097,1205 4.128,1206 4.059,1207 4.023,1208 7.424,1209 4.028,1210 3.737,1211 3.785,1212 3.659,1213 3.65,1214 5.018,1215 3.637,1216 3.727,1217 3.779,1218 3.615,1219 3.53,1220 4.963,1221 3.549,1222 3.536,1223 3.587,1224 3.446,1225 3.35,1226 4.933,1227 3.365,1228 3.375,1229 3.435,1230 3.279,1231 3.204,1232 4.407,1233 3.216,1234 3.235,1235 3.301,1236 3.108,1237 3.091,1238 4.303,1239 3.09,1240 3.132,1241 3.212,1242 3,1243 2.962,1244 4.129,1245 2.958,1246 0.126,1247 0.101,1248 0.185,1249 0.114,1250 0.087,1251 4.645,1252 0.123,1253 3.736,1254 0.054,1255 6.836,1256 0.308,1257 4.214,1258 0.086,1259 3.234,1260 4.566,1261 1.984,1262 11.38,1263 3.168,1264 2.071,1265 2.046,1266 2.156,1267 2.162,1268 1.432,1269 2.161,1270 1.941,1271 1.918,1272 2.039,1273 2.021,1274 1.229,1275 2.028,1276 1.754,1277 1.709,1278 1.949,1279 1.917,1280 1.147,1281 1.904,1282 1.701,1283 1.653,1284 1.865,1285 1.872,1286 1.029,1287 1.899,1288 1.517,1289 1.465,1290 1.694,1291 1.759,1292 0.836,1293 1.743,1294 1.342,1295 1.287,1296 1.523,1297 1.597,1298 0.753,1299 1.579,1300 1.222,1301 1.164,1302 1.46,1303 1.413,1304 0.615,1305 1.426,1306 1.131,1307 1.054,1308 1.421,1309 1.347,1310 0.549,1311 1.381,1312 4.317,1314 5.645,1315 2.398,1316 7.174,1317 4.727,1318 8.798,1319 6.823,1320 10.475,1326 6.138,1328 4.254,1329 5.727,1332 -0.744,1340 38.331,1341 90.21,1342 227.414,1343 288.904,1344 324.413,1345 338.413,1346 340.413,1347 61.545,1348 8.231,1349 112.9,1350 112.9,1351 29,1352 12.816,1353 4.585,1354 3.755,1355 48.058,1356 159,1357 144,1358 0.145,1359 232.967,1360 396.5,1361 560.199,1362 54409,1364 22.786,1365 0.69,1366 0.556,1367 22.786,1368 18.357,1369 16.097,1370 0.435,1371 0.308,1372 11.277,1373 15.671,1374 11.073,1375 9.127,1376 16.097,1377 11.386,1378 14.471,1379 0.278,1380 0.165,1381 14.471,1382 8.572,1383 12.558,1384 0.177,1385 0.089,1386 12.558,1387 6.308,1388 10.516,1389 0.111,1390 0.049,1391 10.516,1392 4.628,1393 8.961,1394 0.073,1395 0.027,1396 8.961,1397 3.346,1398 0.232,1399 99.752,1400 0.199,1401 30.972,1402 0.382,1403 178,1404 463.427,1405 191.005,1406 456.655,1407 631.42,1408 428,1409 212,1410 469.639,1411 225.146,1412 477.218,1413 701.52,1414 453,1415 5.655}
{0 CHEMBL496,1 1.75,2 6.762,3 7.256,4 52.652,5 88.012,6 15.07,7 0.545,8 3.45,9 3.468,10 3.582,11 3.227,12 4.801,13 3.195,14 3.888,15 3.916,16 4.088,17 3.654,18 5.271,19 3.602,20 4.206,21 4.23,22 4.521,23 3.855,24 5.785,25 3.781,26 4.251,27 4.308,28 4.395,29 3.756,30 5.792,31 3.652,32 4.089,33 4.178,34 4.228,35 3.592,36 5.608,37 3.48,38 3.867,39 3.894,40 4.236,41 3.477,42 5.606,43 3.422,44 3.825,45 3.811,46 4.49,47 3.435,48 5.735,49 3.342,50 3.39,51 3.462,52 3.93,53 2.928,54 5.036,55 2.7,56 0.29,57 0.25,58 4.917,59 1.259,60 33.378,61 1.186,62 0.428,63 0.382,64 10.724,65 1.884,66 44.305,67 2.314,68 0.791,69 0.483,70 25.82,71 3.448,72 83.435,73 3.371,74 1.006,75 0.517,76 33.147,77 5.156,78 115.404,79 4.137,80 0.848,81 0.442,82 41.28,83 5.182,84 88.313,85 5.245,86 0.651,87 0.337,88 20.179,89 3.203,90 75.985,91 3.108,92 0.735,93 0.274,94 23.207,95 3.032,96 74.906,97 2.137,98 0.5,99 0.184,100 28.573,101 2.835,102 46.266,103 2.363,104 65,105 33,106 0.344,107 0.607,108 0.676,109 0.745,110 0.745,111 0.745,112 3.104,113 1.051,114 -6.03,115 -5.88,116 -5.47,121 48.1,123 1,144 2,145 2,146 8,176 2,185 2,187 7,197 6,200 12,211 4,214 10,224 2,227 8,236 1,237 2,239 1,249 6,251 6,264 9,281 502,282 13.121,283 13.121,284 13.121,285 13.121,286 13.121,287 11.197,288 10.994,289 7.178,290 13.817,291 10.685,292 10.685,293 10.685,294 10.685,295 10.685,296 7.992,297 11.133,298 3.316,299 12.246,300 3.005,301 1.667,302 1.315,303 0.963,304 0.963,305 0.963,306 3.746,308 6,312 1,313 286,314 2.449,318 136.761,325 0.889,326 38.128,329 0.75,330 0.83,331 1,332 0.4,334 1,335 1,336 0.71,337 46,338 142,339 4.576,340 3.636,341 6.762,342 4.152,343 3.221,344 4.302,345 0.68,346 10.904,347 2.974,348 4.452,349 3.504,350 6.606,351 3.976,352 3.068,353 4.183,355 10.283,356 2.738,357 3.637,358 2.955,359 5.686,360 3.141,361 2.303,362 3,364 7.063,365 1.861,366 3.637,367 2.954,368 5.686,369 3.14,370 2.303,371 3,373 7.063,374 1.815,375 3.46,376 2.705,377 5.281,378 3.049,379 2.14,380 2.757,382 6.379,383 1.815,384 3.237,385 2.414,386 5.071,387 2.764,388 1.865,389 2.501,391 5.624,392 1.594,393 1.827,394 1.841,395 3.596,396 1.577,397 0.696,398 0.758,400 1.837,401 0.567,402 1.781,403 1.756,404 3.335,405 1.295,406 0.618,407 0.686,409 1.416,410 0.351,411 1.781,412 1.455,413 3.335,414 1.275,415 0.618,416 0.686,418 1.416,419 0.336,420 1.214,421 0.779,422 3.07,423 0.837,429 0.646,430 0.258,431 2.524,432 0.128,433 -0.556,434 -0.643,436 -1.293,437 -0.298,438 0.573,439 0.258,440 1.769,441 0.057,442 -0.57,443 -0.649,445 -1.303,446 -0.299,447 0.196,448 -0.375,449 1.729,450 -0.163,451 -1,452 -1.158,454 -2.743,455 -0.674,456 -0.137,457 -0.554,458 1.729,459 -0.576,460 -1.303,461 -1.5,463 -3.219,464 -0.777,465 -0.137,466 -0.609,467 1.597,468 -0.613,469 -1.303,470 -1.5,472 -3.219,473 -0.885,474 11.452,475 0.545,476 0.851,477 0.041,478 26,479 1.238,480 13,481 0.619,482 13,483 0.619,484 20.924,485 0.996,486 22.148,487 0.82,488 17.351,489 0.826,490 5.004,491 0.238,492 4.731,493 0.225,494 0.432,496 0.437,501 0.84,502 0.774,503 0.52,504 0.409,505 0.95,506 0.473,507 0.738,508 1.091,509 0.611,510 0.599,511 0.697,512 0.632,513 0.903,514 1.214,515 0.898,516 1.026,517 0.892,518 1.008,519 1.268,520 1.064,521 1.15,522 1.166,523 1.379,524 1.274,525 0.993,526 0.867,527 1.203,528 1.249,529 0.945,530 1.183,531 0.938,532 0.984,533 0.899,534 0.794,535 0.928,536 0.633,537 1.012,538 1.031,539 1.029,540 1.048,541 1.031,542 0.914,543 1.27,544 0.838,545 1.495,546 1.338,547 1.137,548 1.545,549 5.5,551 4,552 2.375,553 1.831,554 0.681,555 0.656,556 0.375,557 0.082,559 3350,560 20896,561 1.863,562 22.2,563 2,564 2,567 2,572 1.64,573 1.636,574 2.813,575 0.472,582 47.257,583 1.75,584 3.087,585 3.44,586 3.792,587 3.792,588 3.792,589 2.035,590 2.678,591 4.372,592 2.921,593 613.405,594 7.527,595 6473,600 128.382,601 1.441,602 4.242,603 0.25,605 0.121,606 0.063,607 0.061,608 0.026,609 0.023,610 0.016,611 0.009,613 0.569,614 0.67,615 0.88,616 0.74,617 92.206,618 -0.146,619 0.227,620 -0.026,621 0.19,622 -0.194,623 0.125,624 -0.054,625 -0.123,626 0.004,627 0.05,628 -0.024,629 0.061,630 -0.009,631 -0.273,632 -0.043,633 -0.2,634 0.007,635 -0.2,636 -0.228,637 -0.079,638 -0.175,639 -0.117,640 -0.27,641 -0.246,642 -0.017,643 0.12,644 -0.109,645 -0.126,646 -0.007,647 0.03,648 0.099,649 -0.021,650 0.044,651 0.17,652 0.165,653 0.274,654 0.223,655 -0.151,656 0.176,657 -0.029,658 0.201,659 -0.077,660 -0.093,661 0.057,662 0.039,663 -0.025,664 -0.148,665 -0.214,666 1.919,667 4.019,668 0.571,669 11.519,670 1.07,671 1.095,672 4.804,673 23.081,674 0.875,675 3.135,676 3.526,677 3.807,678 3.97,679 4.174,680 4.174,681 4.043,682 3.97,683 4.043,684 3.97,685 4.57,686 0.835,687 406.89,688 3.135,689 4.71,690 5.58,691 6.475,692 7.363,693 8.26,694 9.152,695 10.049,696 10.943,697 11.839,715 2,720 10,722 12,738 2,740 6,741 27,743 12,744 2,745 22,747 28,748 13,749 12,750 10,751 2,756 2,757 2,758 6,770 1,772 12,773 1,793 6,794 2,795 2,796 8,797 6,808 1,809 2,829 2,859 2,865 6,868 21,875 2,876 1,892 6,893 7.4,895 2,901 12.833,902 4.924,903 4.556,904 1.398,907 2.348,908 1.368,909 0.925,910 5.544,911 8.733,912 3.367,913 4.078,914 4.649,915 5.143,916 5.663,917 5.821,918 5.834,919 6.135,920 6.551,921 6.803,922 1,923 38,924 7.721,926 3.422,927 0.026,929 8.302,931 13.752,933 11.18,936 2.802,937 58.833,941 47.084,942 48.862,944 234.892,945 85.367,948 48.862,949 367.343,952 2.535,953 18.952,954 85.367,955 27.375,957 47.084,958 234.892,959 47.084,960 48.862,961 85.367,962 234.892,964 47.084,965 85.367,968 2.535,969 46.327,970 234.892,972 47.084,973 85.367,974 283.754,977 47.084,978 29.909,979 18.952,981 320.259,982 47.084,983 85.367,984 283.754,986 0.613,987 0.381,988 0.179,989 0.096,990 16,991 10,992 0.071,993 2,995 1,996 3.004,997 162.804,999 12,1000 72.239,1005 17.432,1006 6.679,1007 3.377,1009 85.367,1010 2.632,1015 0.516,1017 85.367,1018 416.205,1019 28,1031 28.898,1032 29.574,1034 0.368,1035 0.649,1036 0.723,1037 0.797,1038 0.797,1039 0.797,1040 4.644,1041 0.618,1042 5.638,1043 1.837,1044 4.205,1045 4.762,1046 0.655,1047 6.521,1048 3.932,1049 5.928,1050 0.618,1051 7.273,1052 1.416,1053 4.111,1054 4.913,1056 7.561,1057 3.611,1058 7.293,1060 9.002,1061 1.416,1062 5.894,1063 7.076,1064 0.356,1065 10.674,1066 5.457,1067 8.689,1068 -0.556,1069 10.778,1071 6.524,1072 7.93,1074 12.438,1075 5.866,1076 10.109,1077 -0.57,1078 12.581,1079 -1.293,1080 7.877,1081 9.667,1082 0.18,1083 15.119,1084 7.275,1085 11.546,1086 -1,1087 14.404,1088 -1.303,1089 8.805,1090 10.829,1092 17.201,1093 8.028,1094 12.996,1095 -1.303,1096 16.24,1097 -2.743,1098 10.019,1099 12.407,1100 0.087,1101 19.714,1102 9.253,1103 3.221,1104 -1.303,1105 18.086,1106 -3.219,1107 11.076,1108 13.715,1110 21.949,1111 10.174,1112 3.068,1113 10.904,1114 19.942,1115 -3.219,1116 12.245,1117 15.225,1118 0.041,1119 24.386,1120 11.314,1121 2.303,1122 10.283,1123 21.804,1124 4.302,1125 13.356,1126 16.605,1128 26.693,1129 12.315,1130 2.303,1131 7.063,1132 23.673,1133 4.183,1134 14.513,1135 18.083,1136 0.019,1137 29.096,1138 13.418,1139 2.14,1140 7.063,1141 25.547,1142 3,1143 15.648,1144 19.497,1146 31.436,1147 14.456,1148 1.865,1149 6.379,1150 27.425,1151 3,1152 16.801,1153 20.96,1154 0.009,1155 33.823,1156 15.543,1157 0.696,1158 5.624,1159 29.307,1160 2.757,1161 17.947,1162 22.392,1164 36.181,1165 16.6,1166 3538,1167 8892,1168 13.066,1169 23.625,1170 33.868,1171 36.691,1172 36.853,1173 34.046,1174 33.662,1175 43.746,1176 1.36,1177 103.97,1178 28.1,1179 5.361,1180 5.636,1181 5.762,1182 5.152,1183 5.221,1184 7.302,1185 1.36,1186 18.375,1187 4.974,1188 15.158,1189 1.539,1190 1.668,1191 1.675,1192 1.548,1193 1.53,1194 1.988,1195 0.062,1196 4.726,1197 1.277,1198 4.001,1199 4.003,1200 4.221,1201 3.964,1202 6.473,1203 3.956,1204 3.841,1205 3.837,1206 4.134,1207 3.808,1208 6.465,1209 3.797,1210 3.189,1211 3.23,1212 3.67,1213 3.112,1214 5.053,1215 3.09,1216 2.988,1217 2.965,1218 3.669,1219 2.9,1220 5.009,1221 2.877,1222 2.985,1223 2.961,1224 3.467,1225 2.897,1226 4.669,1227 2.877,1228 2.774,1229 2.783,1230 3.387,1231 2.667,1232 4.667,1233 2.658,1234 2.468,1235 2.515,1236 3.114,1237 2.162,1238 4.482,1239 2.144,1240 2.163,1241 2.183,1242 2.862,1243 1.816,1244 4.464,1245 1.795,1246 0.208,1247 0.165,1248 0.307,1249 0.189,1250 0.146,1251 4.576,1252 0.196,1253 3.636,1254 0.031,1255 6.762,1256 0.496,1257 4.152,1258 0.135,1259 3.221,1260 4.302,1261 0.68,1262 10.904,1263 2.974,1264 1.946,1265 1.942,1266 1.964,1267 2,1268 1.239,1269 2.006,1270 1.793,1271 1.795,1272 1.773,1273 1.844,1274 0.978,1275 1.848,1276 1.184,1277 1.145,1278 1.376,1279 1.314,1280 0.585,1281 1.353,1282 0.829,1283 0.849,1284 0.918,1285 1.077,1287 1.036,1288 0.828,1289 0.848,1290 0.856,1291 1.056,1293 1.015,1294 0.7,1295 0.684,1296 0.69,1297 0.79,1299 0.826,1300 0.352,1301 0.284,1302 0.583,1303 0.638,1305 0.678,1308 0.299,1309 0.343,1311 0.371,1312 3.807,1314 5.176,1316 6.744,1318 8.406,1320 10.115,1323 35.693,1327 20.038,1328 -0.046,1340 22.555,1341 47.257,1342 83.362,1343 92.872,1344 102.382,1345 102.382,1346 102.382,1347 65.739,1348 6.385,1349 40.46,1350 40.46,1351 12,1352 12.364,1353 3.7,1354 2.807,1355 38.917,1356 58,1357 42,1358 0.346,1359 161.109,1360 279.94,1361 384.867,1362 3868,1363 22.2,1364 15.895,1365 0.757,1366 0.693,1367 18.895,1368 14.56,1369 9.735,1370 0.442,1371 0.35,1372 5.592,1373 7.927,1374 5.27,1375 4.248,1376 11.467,1377 7.711,1378 9.38,1379 0.284,1380 0.198,1381 11.53,1382 6.524,1383 8.323,1384 0.189,1385 0.115,1386 11.01,1387 5.063,1388 5.85,1389 0.112,1390 0.061,1391 7.781,1392 3.196,1393 4.483,1394 0.07,1395 0.033,1396 6.105,1397 2.094,1398 0.514,1399 78.617,1400 0.277,1401 20.051,1402 1.043,1403 110,1404 411.52,1405 207.324,1406 577.857,1407 706.92,1408 526,1409 132,1410 363.237,1411 219.731,1412 427.821,1413 633.2,1414 400,1415 5.521}
{0 CHEMBL496126,1 1.487,2 12.912,3 3.841,4 14.751,5 131.482,6 7.232,7 0.553,8 4.237,9 4.366,10 3.78,11 3.798,12 5.297,13 3.77,14 4.785,15 4.962,16 4.143,17 4.217,18 5.804,19 4.16,20 5.078,21 5.297,22 4.234,23 4.357,24 6.088,25 4.276,26 5.116,27 5.34,28 4.189,29 4.341,30 6.131,31 4.257,32 5.125,33 5.357,34 4.185,35 4.319,36 6.217,37 4.232,38 5.131,39 5.357,40 4.158,41 4.294,42 6.233,43 4.199,44 5.141,45 5.398,46 3.961,47 4.191,48 6.184,49 4.075,50 4.981,51 5.254,52 3.792,53 4.016,54 5.982,55 3.9,56 0.05,57 0.949,58 13.263,59 5.586,60 8.731,61 7.605,62 0.219,63 1.55,64 24.649,65 9.722,66 27.142,67 13.646,68 0.438,69 1.933,70 35.563,71 12.852,72 55.172,73 18.169,74 0.403,75 1.988,76 37.365,77 12.552,78 55.756,79 17.814,80 0.524,81 1.955,82 38.22,83 12.906,84 83.032,85 18.405,86 0.514,87 1.916,88 38.52,89 13.508,90 74.705,91 18.864,92 0.52,93 1.858,94 40.687,95 12.927,96 84.517,97 18.311,98 0.429,99 1.553,100 35.177,101 11.107,102 68.243,103 15.959,104 11,105 53,106 0.236,107 0.597,108 0.775,109 0.864,110 0.9,111 0.905,112 3.56,113 0.935,114 -3.02,115 -3.02,116 -2.91,121 42.9,123 5,126 1,127 1,129 1,144 8,145 4,146 1,148 2,153 1,154 1,160 2,176 14,180 4,183 2,185 6,187 15,192 5,195 2,196 2,197 7,200 11,206 5,209 1,211 7,214 9,218 1,219 3,222 1,223 1,224 6,227 9,231 1,232 6,235 2,236 2,237 6,239 6,244 7,247 1,249 8,251 2,256 4,261 6,264 2,268 1,269 5,272 1,273 1,274 3,277 4,281 1982,282 23.507,283 23.507,284 23.507,285 23.507,286 23.507,287 20.778,288 19.419,289 13.929,290 23.747,291 18.723,292 18.723,293 18.723,294 18.723,295 18.723,296 14.447,297 16.693,298 6.525,299 19.047,300 4.49,301 2.211,302 1.084,303 0.52,304 0.298,305 0.266,306 4.27,312 1,313 979,314 4.243,317 79.919,318 339.175,321 149.075,322 277.356,325 1.874,326 31.629,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 72.5,338 439,339 4.645,340 3.749,341 6.836,342 4.214,343 3.234,344 4.566,345 1.985,346 11.38,347 3.168,348 4.529,349 3.601,350 6.541,351 4.071,352 3.084,353 4.474,354 1.925,355 10.33,356 3.044,357 3.946,358 3.305,359 6.011,360 3.73,361 2.741,362 3.441,363 0.473,364 8.503,365 2.702,366 3.915,367 3.13,368 5.982,369 3.524,370 2.532,371 3.13,372 0.29,373 8.37,374 2.512,375 3.688,376 2.663,377 5.441,378 3.372,379 2.384,380 2.977,381 0.06,382 6.988,383 2.348,384 3.406,385 2.35,386 5.113,387 3.006,388 2.026,389 2.731,391 5.952,392 1.98,393 3.362,394 2.276,395 4.943,396 2.94,397 1.943,398 2.63,400 5.669,401 1.928,402 3.046,403 1.933,404 4.248,405 2.519,406 1.546,407 2.318,409 3.845,410 1.503,411 2.935,412 1.594,413 4.116,414 2.51,415 1.52,416 2.138,418 3.469,419 1.501,420 2.713,421 1.546,422 4.043,423 2.395,424 1.421,425 1.759,427 3.329,428 1.374,429 2.586,430 1.444,431 3.813,432 2.345,433 1.347,434 1.614,436 3.233,437 1.343,438 2.544,439 1.438,440 3.594,441 2.242,442 1.247,443 1.522,445 2.902,446 1.24,447 2.487,448 1.35,449 3.579,450 2.126,451 1.144,452 1.485,454 2.71,455 1.121,456 2.073,457 1.21,458 3.51,459 1.805,460 0.824,461 0.94,463 2.081,464 0.805,465 1.998,466 1.081,467 3.146,468 1.611,469 0.658,470 0.899,472 1.467,473 0.625,474 16.167,475 0.475,476 0.709,477 0.021,478 43.5,479 1.279,480 21.5,481 0.632,482 22,483 0.647,484 30.73,485 0.904,486 36.033,487 0.572,488 34.538,489 1.016,490 8.455,491 0.249,492 8.18,493 0.241,494 0.072,496 0.34,501 0.784,502 1.223,503 0.822,504 1,505 0.556,506 0.92,507 0.674,508 1.173,509 0.892,510 1.049,511 0.56,512 1.001,513 0.939,514 1.027,515 0.942,516 0.972,517 0.985,518 0.962,519 1.307,520 1.083,521 1.11,522 1.023,523 1.212,524 1.032,525 1.106,526 1.019,527 1.023,528 1.005,529 1.042,530 0.996,531 1.162,532 1.115,533 1.056,534 1.143,535 1.396,536 1.104,537 1.587,538 0.999,539 1.156,540 1.004,541 1.701,542 1.025,543 1.478,544 0.874,545 1.012,546 0.857,547 1.562,548 0.872,549 5.5,550 0.161,551 4,552 2.354,553 1.897,554 1.191,555 0.674,556 0.398,557 0.366,558 0.284,559 18449,560 42532,561 2.145,562 46,563 6,564 14,565 1,567 4,568 2,569 2,572 1.759,573 2.04,574 3.613,575 1.487,582 93.696,583 1.487,584 3.766,585 4.894,586 5.457,587 5.68,588 5.711,589 2.983,590 4.617,591 5.066,592 3.834,593 2151.15,594 8.871,595 33676,600 376.569,601 1.286,602 5.033,603 0.145,604 0.005,605 0.075,606 0.042,607 0.036,608 0.023,609 0.014,610 0.01,611 0.011,612 0.008,613 0.371,614 0.17,615 0.88,616 0.608,617 183.379,618 -0.068,619 -0.029,620 0.04,621 0.043,622 -0.025,623 0.055,624 0.09,625 -0.058,626 0.013,627 -0.03,628 0.041,629 -0.02,630 0.065,631 0.006,632 0.026,633 0.015,634 -0.013,635 0.011,636 -0.156,637 -0.04,638 -0.122,639 -0.066,640 -0.106,641 -0.083,642 0.059,643 -0.005,644 -0.025,645 -0.044,646 0.119,647 -0.04,648 0.107,649 -0.135,650 -0.052,651 -0.168,652 0.025,653 -0.14,654 -0.175,655 -0.052,656 -0.111,657 -0.063,658 -0.131,659 -0.076,660 -0.144,661 0.047,662 0.041,663 0.086,664 -0.093,665 0.091,666 1.903,667 5.877,668 0.676,669 32.429,670 0.996,671 1.125,672 1.787,673 3.193,674 0.668,675 3.664,676 3.989,677 4.304,678 4.595,679 4.844,680 4.913,681 5.03,682 5.13,683 5.136,684 5.05,685 7.841,686 0.633,687 455.61,688 3.664,689 5.209,690 6.075,691 6.961,692 7.846,693 8.739,694 9.63,695 10.525,696 11.419,697 12.317,698 7.9,700 1,705 2,706 1,708 1,714 4,715 9,716 1,717 1,720 4,722 21,741 63,743 23,744 2,745 38,747 67,748 27,749 17,750 4,751 8,756 5,757 9,767 4,770 6,772 19,773 8,777 2,782 2,786 2,793 29,794 6,795 4,796 7,802 5,808 0.4,809 2,822 1,824 1,828 1,829 4,832 1,833 2,843 2,853 1,859 2,864 1,868 34,876 6,877 3,880 1,893 3.2,896 2,901 16.667,902 11.367,903 7.528,904 3.933,907 4.131,908 1.5,909 1.022,910 6.615,911 12.391,912 3.942,913 4.562,914 5.191,915 5.816,916 6.378,917 6.695,918 7.071,919 7.425,920 7.553,921 7.48,922 1,923 56,924 12.664,926 5.495,927 0.026,929 7.676,931 24.445,933 20.644,936 2.176,937 74,941 294.278,942 138.76,943 87.603,945 50.29,948 138.76,949 344.567,950 87.603,951 8.396,952 50.8,953 102.868,954 76.485,955 35.96,956 13.915,957 282.506,959 294.278,960 226.364,961 50.29,964 270.735,965 73.832,968 90.497,969 119.081,970 16.786,972 294.278,973 137.893,974 138.76,977 294.278,978 45.507,979 93.254,980 70.818,981 67.075,982 294.278,983 137.893,984 138.76,986 0.576,987 0.349,988 0.198,989 0.111,990 26,991 11,992 0.104,993 7,994 3,995 1.261,996 4.522,997 323.433,998 0.261,999 23,1000 172.974,1005 22.578,1006 9.962,1007 4.73,1008 3.967,1009 121.108,1010 17.839,1011 4.817,1012 3.245,1015 4.086,1017 70.818,1018 570.931,1019 50.5,1024 25.742,1028 -0.441,1031 62.767,1032 70.893,1034 0.249,1035 0.63,1036 0.819,1037 0.913,1038 0.95,1039 0.956,1040 5.178,1041 1.546,1042 6.052,1043 5.669,1044 4.673,1045 5.25,1046 2.674,1047 6.88,1048 4.639,1049 6.383,1050 1.52,1051 7.617,1052 3.845,1053 4.205,1054 5.112,1055 2.179,1056 7.818,1057 4.174,1058 7.699,1059 1.421,1060 9.286,1061 3.469,1062 6.275,1063 7.515,1064 3.697,1065 10.952,1066 6.208,1067 9.054,1068 1.347,1069 11.019,1070 3.329,1071 6.673,1072 8.266,1073 3.785,1074 12.749,1075 6.602,1076 10.446,1077 1.247,1078 12.792,1079 3.233,1080 8.178,1081 10.131,1082 4.895,1083 15.391,1084 8.08,1085 11.863,1086 1.144,1087 14.594,1088 2.902,1089 8.98,1090 11.295,1091 5.249,1092 17.535,1093 8.87,1094 13.301,1095 0.824,1096 16.416,1097 2.71,1098 10.26,1099 12.949,1100 6.162,1101 20.017,1102 10.128,1103 3.234,1104 0.658,1105 18.252,1106 2.081,1107 11.249,1108 14.304,1109 6.657,1110 22.308,1111 11.101,1112 3.084,1113 11.38,1114 20.101,1115 1.467,1116 12.441,1117 15.871,1118 7.464,1119 24.737,1120 12.273,1121 2.741,1122 10.33,1123 21.958,1124 4.566,1125 13.517,1126 17.313,1127 8.037,1128 27.092,1129 13.331,1130 2.532,1131 8.503,1132 23.822,1133 4.474,1134 14.677,1135 18.845,1136 8.785,1137 29.507,1138 14.472,1139 2.384,1140 8.37,1141 25.693,1142 3.441,1143 15.793,1144 20.324,1145 9.402,1146 31.892,1147 15.568,1148 2.026,1149 6.988,1150 27.569,1151 3.13,1152 16.944,1153 21.843,1154 10.118,1155 34.304,1156 16.7,1157 1.943,1158 5.952,1159 29.449,1160 2.977,1161 18.079,1162 23.339,1163 10.76,1164 36.705,1165 17.816,1166 16964,1167 25907,1168 25.948,1169 42.074,1170 56.818,1171 58.8,1172 58.539,1173 56.493,1174 56.572,1175 74.709,1176 9.465,1177 162.976,1178 55.608,1179 5.601,1180 5.749,1181 6.522,1182 5.257,1183 5.234,1184 7.566,1185 3.477,1186 18.912,1187 5.168,1188 13.162,1189 1.495,1190 1.547,1191 1.541,1192 1.487,1193 1.489,1194 1.966,1195 0.249,1196 4.289,1197 1.463,1198 4.142,1199 4.176,1200 4.098,1201 4.061,1202 7.433,1203 4.066,1204 4.097,1205 4.128,1206 4.059,1207 4.023,1208 7.424,1209 4.028,1210 3.75,1211 3.802,1212 3.672,1213 3.65,1214 4.984,1215 3.637,1216 3.731,1217 3.78,1218 3.616,1219 3.548,1220 4.953,1221 3.567,1222 3.553,1223 3.61,1224 3.461,1225 3.352,1226 4.407,1227 3.37,1228 3.389,1229 3.453,1230 3.284,1231 3.224,1232 4.346,1233 3.233,1234 3.263,1235 3.337,1236 3.124,1237 3.107,1238 4.272,1239 3.103,1240 3.165,1241 3.238,1242 3.03,1243 2.966,1244 4.121,1245 2.963,1246 0.122,1247 0.099,1248 0.18,1249 0.111,1250 0.085,1251 4.645,1252 0.12,1253 3.749,1254 0.052,1255 6.836,1256 0.299,1257 4.214,1258 0.083,1259 3.234,1260 4.566,1261 1.985,1262 11.38,1263 3.168,1264 2.071,1265 2.046,1266 2.156,1267 2.162,1268 1.432,1269 2.161,1270 1.942,1271 1.919,1272 2.04,1273 2.023,1274 1.245,1275 2.029,1276 1.754,1277 1.709,1278 1.949,1279 1.931,1280 1.147,1281 1.918,1282 1.715,1283 1.665,1284 1.884,1285 1.872,1286 1.053,1287 1.902,1288 1.517,1289 1.465,1290 1.694,1291 1.763,1292 0.836,1293 1.746,1294 1.389,1295 1.321,1296 1.64,1297 1.649,1298 0.753,1299 1.648,1300 1.246,1301 1.184,1302 1.476,1303 1.468,1304 0.685,1305 1.47,1306 1.137,1307 1.059,1308 1.436,1309 1.366,1310 0.613,1311 1.388,1312 4.344,1314 5.666,1315 2.398,1316 7.194,1317 4.727,1318 8.818,1319 6.823,1320 10.496,1322 1.758,1328 4.472,1329 8.957,1332 -0.443,1340 39.858,1341 93.696,1342 237.284,1343 308.304,1344 343.814,1345 357.814,1346 359.814,1347 62.591,1348 8.26,1349 98.91,1350 98.91,1351 29,1352 12.841,1353 4.585,1354 3.755,1355 50.148,1356 165,1357 146,1358 0.146,1359 242.559,1360 413.8,1361 583.605,1362 55750,1364 23.493,1365 0.691,1366 0.567,1367 23.493,1368 19.28,1369 16.635,1370 0.438,1371 0.312,1372 11.717,1373 16.162,1374 11.463,1375 9.483,1376 16.635,1377 11.841,1378 14.662,1379 0.277,1380 0.166,1381 14.662,1382 8.807,1383 12.847,1384 0.176,1385 0.091,1386 12.847,1387 6.621,1388 10.947,1389 0.112,1390 0.049,1391 10.947,1392 4.836,1393 9.179,1394 0.073,1395 0.028,1396 9.179,1397 3.49,1398 0.234,1399 103.249,1400 0.196,1401 31.634,1402 0.389,1403 182,1404 472.448,1405 195.365,1406 464.015,1407 642.64,1408 436,1409 217,1410 477.132,1411 230.646,1412 485.149,1413 713.21,1414 460,1415 5.478}
{0 CHEMBL496127,1 1.487,2 13.794,3 3.444,4 11.859,5 131.257,6 7.232,7 0.553,8 4.236,9 4.367,10 3.777,11 3.804,12 5.306,13 3.774,14 4.782,15 4.952,16 4.143,17 4.227,18 5.812,19 4.166,20 5.095,21 5.32,22 4.219,23 4.354,24 6.122,25 4.271,26 5.112,27 5.341,28 4.155,29 4.321,30 6.145,31 4.232,32 5.077,33 5.307,34 4.119,35 4.29,36 6.106,37 4.197,38 5.109,39 5.343,40 4.101,41 4.259,42 6.268,43 4.155,44 5.083,45 5.34,46 3.884,47 4.15,48 6.132,49 4.017,50 4.95,51 5.23,52 3.661,53 3.966,54 5.899,55 3.826,56 0.058,57 0.947,58 13.283,59 5.599,60 10.694,61 7.605,62 0.19,63 1.544,64 24.328,65 9.984,66 26.565,67 13.913,68 0.383,69 1.953,70 36.376,71 12.909,72 63.784,73 18.361,74 0.527,75 1.966,76 37.698,77 12.42,78 68.626,79 17.613,80 0.34,81 1.878,82 36.023,83 12.551,84 51.299,85 17.782,86 0.584,87 1.847,88 38.01,89 13.316,90 102.361,91 18.767,92 0.473,93 1.736,94 38.156,95 12.975,96 91.261,97 18.312,98 0.462,99 1.514,100 34.274,101 10.762,102 70.582,103 15.597,104 10,105 53,106 0.236,107 0.593,108 0.761,109 0.866,110 0.902,111 0.907,112 3.56,113 0.938,114 -3.02,115 -3.02,116 -2.91,121 42.9,123 6,127 1,129 1,144 8,145 4,146 1,148 2,153 1,154 1,160 2,165 1,166 1,167 1,176 14,180 5,183 2,185 8,187 15,189 1,192 5,194 1,195 1,196 1,197 7,199 1,200 11,203 1,206 6,209 2,210 1,211 7,214 11,216 1,219 3,223 1,224 5,226 1,227 12,229 2,231 2,232 6,235 2,236 1,237 5,239 11,241 2,244 5,246 1,247 1,248 1,249 6,250 1,251 5,253 1,256 4,259 1,261 7,264 1,269 3,274 5,277 4,279 2,281 2022,282 23.344,283 23.344,284 23.344,285 23.344,286 23.344,287 20.615,288 19.709,289 13.894,290 23.529,291 18.785,292 18.785,293 18.785,294 18.785,295 18.785,296 14.502,297 17.448,298 6.603,299 19.066,300 4.49,301 2.234,302 1.175,303 0.508,304 0.286,305 0.254,306 4.27,312 1,313 1048,314 4.243,317 81.949,318 345.494,321 152.545,322 281.72,325 2.019,326 33.79,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 72.5,338 469,339 4.645,340 3.717,341 6.836,342 4.214,343 3.234,344 4.566,345 1.953,346 11.38,347 3.169,348 4.529,349 3.613,350 6.538,351 4.067,352 3.08,353 4.474,354 1.907,355 10.314,356 3.04,357 3.917,358 3.305,359 5.982,360 3.682,361 2.687,362 3.441,363 0.263,364 8.37,365 2.662,366 3.901,367 3.13,368 5.883,369 3.524,370 2.532,371 3.09,372 0.149,373 8.001,374 2.512,375 3.7,376 2.663,377 5.441,378 3.392,379 2.398,380 2.987,382 6.989,383 2.377,384 3.402,385 2.295,386 5.109,387 3.006,388 2.026,389 2.723,391 5.918,392 1.98,393 3.377,394 2.275,395 4.946,396 2.96,397 1.966,398 2.654,400 5.706,401 1.947,402 3.046,403 1.792,404 4.228,405 2.519,406 1.546,407 2.318,409 3.831,410 1.504,411 2.935,412 1.634,413 4.116,414 2.51,415 1.521,416 2.138,418 3.38,419 1.501,420 2.692,421 1.593,422 3.94,423 2.391,424 1.424,425 1.751,427 3.329,428 1.371,429 2.587,430 1.546,431 3.819,432 2.345,433 1.347,434 1.615,436 3.234,437 1.343,438 2.489,439 1.444,440 3.594,441 2.242,442 1.247,443 1.487,445 2.902,446 1.24,447 2.48,448 1.35,449 3.577,450 2.131,451 1.146,452 1.461,454 2.707,455 1.126,456 2.154,457 1.187,458 3.522,459 1.89,460 0.899,461 1.048,463 2.209,464 0.884,465 2.009,466 1.086,467 3.197,468 1.714,469 0.715,470 0.883,472 1.661,473 0.709,474 16.167,475 0.475,476 0.747,477 0.022,478 43.25,479 1.272,480 21.5,481 0.632,482 21.75,483 0.64,484 30.854,485 0.907,486 36.033,487 0.572,488 33.517,489 0.986,490 8.249,491 0.243,492 8.349,493 0.246,494 0.066,496 0.34,501 0.804,502 1.15,503 0.832,504 0.961,505 0.632,506 0.899,507 0.597,508 1.225,509 0.889,510 1.114,511 0.56,512 1.05,513 1.02,514 1.062,515 0.957,516 0.977,517 0.97,518 0.961,519 1.346,520 0.977,521 1.136,522 0.957,523 1.289,524 1.005,525 1.159,526 1.062,527 1.064,528 1.065,529 1.113,530 1.048,531 1.024,532 1.054,533 1.031,534 1.108,535 1.198,536 1.081,537 1.327,538 1.045,539 1.107,540 1.077,541 1.495,542 1.078,543 1.426,544 0.874,545 1.096,546 0.886,547 1.436,548 0.94,549 5.5,550 0.234,551 4,552 2.354,553 1.817,554 1.191,555 0.7,556 0.289,557 0.232,558 0.261,559 19585,560 45436,561 2.145,562 46,563 6,564 11,565 1,567 5,568 4,569 2,572 1.756,573 2.04,574 3.681,575 2.249,582 93.696,583 1.487,584 3.743,585 4.803,586 5.469,587 5.692,588 5.723,589 3.005,590 4.676,591 5.066,592 3.926,593 2202.47,594 8.853,595 35437.7,600 376.569,601 1.286,602 5.033,603 0.145,604 0.007,605 0.075,606 0.043,607 0.036,608 0.025,609 0.016,610 0.008,611 0.008,612 0.009,613 0.372,614 0.17,615 0.88,616 0.459,617 185.187,618 -0.088,619 0.045,620 0.03,621 0.083,622 -0.054,623 0.077,624 0.118,625 -0.119,626 0.005,627 -0.079,628 0.044,629 -0.058,630 -0.017,631 -0.037,632 0.016,633 0.004,634 -0.009,635 0.011,636 -0.126,637 0.063,638 -0.136,639 -0.009,640 -0.128,641 -0.064,642 -0.088,643 -0.045,644 -0.08,645 -0.094,646 -0.047,647 -0.083,648 0.203,649 -0.089,650 -0.025,651 -0.13,652 0.173,653 -0.11,654 -0.052,655 -0.126,656 -0.078,657 -0.108,658 -0.048,659 -0.103,660 -0.153,661 0.05,662 -0.046,663 0.051,664 -0.133,665 0.021,666 2.015,667 5.778,668 0.676,669 34.114,670 0.996,671 1.125,672 1.787,673 3.193,674 0.668,675 3.664,676 3.989,677 4.29,678 4.575,679 4.82,680 4.89,681 4.997,682 5.075,683 5.075,684 4.977,685 8.347,686 0.633,687 455.61,688 3.664,689 5.209,690 6.071,691 6.954,692 7.834,693 8.724,694 9.612,695 10.506,696 11.397,697 12.293,698 7.9,699 1,705 2,706 1,708 1,714 4,715 9,716 1,717 1,720 4,722 21,741 63,743 23,744 2,745 38,747 67,748 27,749 17,750 4,751 8,756 5,757 9,767 4,770 7,772 19,773 8,777 2,782 2,786 2,793 29,794 6,795 5,796 7,802 5,808 0.4,809 2,822 1,824 1,828 1,829 4,832 1,833 2,843 2,851 1,859 2,868 34,869 1,876 7,877 2,880 1,893 3.2,896 2,901 16.667,902 10.95,903 7.444,904 3.961,907 4.131,908 1.5,909 1.027,910 6.615,911 12.391,912 3.942,913 4.562,914 5.185,915 5.807,916 6.366,917 6.689,918 7.056,919 7.4,920 7.519,921 7.427,922 0.889,923 55,924 12.669,926 5.529,927 0.026,929 7.706,931 24.422,933 20.749,936 2.206,937 75,941 282.506,942 132.898,943 102.49,945 50.29,948 132.898,949 332.796,950 102.49,952 86.232,953 84.857,954 76.485,955 35.96,956 13.915,957 270.735,959 282.506,960 235.388,961 50.29,964 258.964,965 73.832,968 107.918,969 110.685,970 16.786,972 282.506,973 152.78,974 132.898,977 282.506,978 48.041,979 84.857,980 52.807,981 99.973,982 282.506,983 152.78,984 132.898,986 0.579,987 0.344,988 0.192,989 0.108,990 26,991 11,992 0.104,993 7,994 3,995 1.261,996 4.597,997 317.775,998 0.261,999 23,1000 168.219,1005 22.578,1006 9.962,1007 4.868,1008 3.946,1009 135.994,1010 17.732,1011 4.813,1012 3.203,1015 4.095,1017 85.704,1018 568.184,1019 50.5,1024 25.303,1028 -0.389,1031 62.767,1032 70.893,1034 0.249,1035 0.626,1036 0.803,1037 0.915,1038 0.952,1039 0.958,1040 5.178,1041 1.546,1042 6.047,1043 5.706,1044 4.673,1045 5.25,1046 2.613,1047 6.868,1048 4.642,1049 6.383,1050 1.521,1051 7.608,1052 3.831,1053 4.205,1054 5.112,1055 2.179,1056 7.789,1057 4.174,1058 7.697,1059 1.424,1060 9.274,1061 3.38,1062 6.267,1063 7.513,1064 3.63,1065 10.926,1066 6.206,1067 9.05,1068 1.347,1069 11.003,1070 3.329,1071 6.661,1072 8.263,1073 3.744,1074 12.716,1075 6.594,1076 10.441,1077 1.247,1078 12.774,1079 3.234,1080 8.165,1081 10.129,1082 4.806,1083 15.363,1084 8.074,1085 11.857,1086 1.146,1087 14.573,1088 2.902,1089 8.962,1090 11.293,1091 5.172,1092 17.506,1093 8.858,1094 13.295,1095 0.899,1096 16.393,1097 2.707,1098 10.242,1099 12.947,1100 6.049,1101 19.991,1102 10.117,1103 3.234,1104 0.715,1105 18.229,1106 2.209,1107 11.229,1108 14.302,1109 6.548,1110 22.284,1111 11.087,1112 3.08,1113 11.38,1114 20.076,1115 1.661,1116 12.421,1117 15.87,1118 7.326,1119 24.716,1120 12.26,1121 2.687,1122 10.314,1123 21.933,1124 4.566,1125 13.496,1126 17.312,1127 7.897,1128 27.074,1129 13.316,1130 2.532,1131 8.37,1132 23.797,1133 4.474,1134 14.657,1135 18.844,1136 8.622,1137 29.491,1138 14.457,1139 2.398,1140 8.001,1141 25.668,1142 3.441,1143 15.772,1144 20.324,1145 9.233,1146 31.878,1147 15.553,1148 2.026,1149 6.989,1150 27.544,1151 3.09,1152 16.924,1153 21.842,1154 9.929,1155 34.292,1156 16.686,1157 1.966,1158 5.918,1159 29.425,1160 2.987,1161 18.06,1162 23.339,1163 10.561,1164 36.695,1165 17.801,1166 17933,1167 27458,1168 25.948,1169 42.074,1170 57.293,1171 59.022,1172 58.439,1173 56.769,1174 56.826,1175 74.994,1176 8.544,1177 162.863,1178 55.976,1179 5.604,1180 5.717,1181 6.522,1182 5.255,1183 5.234,1184 7.566,1185 3.416,1186 18.912,1187 5.169,1188 13.203,1189 1.508,1190 1.553,1191 1.538,1192 1.494,1193 1.495,1194 1.974,1195 0.225,1196 4.286,1197 1.473,1198 4.141,1199 4.175,1200 4.097,1201 4.061,1202 7.431,1203 4.065,1204 4.098,1205 4.128,1206 4.059,1207 4.023,1208 7.426,1209 4.028,1210 3.75,1211 3.803,1212 3.663,1213 3.651,1214 5.018,1215 3.637,1216 3.731,1217 3.78,1218 3.616,1219 3.552,1220 4.964,1221 3.568,1222 3.588,1223 3.637,1224 3.494,1225 3.421,1226 4.933,1227 3.426,1228 3.392,1229 3.449,1230 3.294,1231 3.222,1232 4.407,1233 3.236,1234 3.274,1235 3.347,1236 3.138,1237 3.137,1238 4.303,1239 3.13,1240 3.153,1241 3.228,1242 3.031,1243 2.971,1244 4.151,1245 2.97,1246 0.122,1247 0.098,1248 0.18,1249 0.111,1250 0.085,1251 4.645,1252 0.12,1253 3.717,1254 0.051,1255 6.836,1256 0.299,1257 4.214,1258 0.083,1259 3.234,1260 4.566,1261 1.953,1262 11.38,1263 3.169,1264 2.071,1265 2.046,1266 2.156,1267 2.162,1268 1.432,1269 2.161,1270 1.942,1271 1.918,1272 2.039,1273 2.021,1274 1.231,1275 2.028,1276 1.754,1277 1.709,1278 1.949,1279 1.928,1280 1.151,1281 1.917,1282 1.712,1283 1.661,1284 1.886,1285 1.872,1286 1.092,1287 1.901,1288 1.594,1289 1.54,1290 1.799,1291 1.802,1292 1.011,1293 1.803,1294 1.368,1295 1.314,1296 1.538,1297 1.625,1298 0.757,1299 1.603,1300 1.265,1301 1.206,1302 1.482,1303 1.469,1304 0.623,1305 1.474,1306 1.135,1307 1.06,1308 1.432,1309 1.351,1310 0.565,1311 1.381,1312 4.344,1314 5.666,1315 2.398,1316 7.189,1317 4.727,1318 8.808,1319 6.823,1320 10.482,1326 6.145,1328 4.915,1329 5.919,1332 -0.682,1340 39.858,1341 93.696,1342 235.826,1343 302.569,1344 344.569,1345 358.569,1346 360.569,1347 64.901,1348 8.26,1349 112.9,1350 112.9,1351 29,1352 12.819,1353 4.585,1354 3.755,1355 50.342,1356 176,1357 154,1358 0.137,1359 242.559,1360 413.8,1361 583.605,1362 58104,1364 23.493,1365 0.691,1366 0.561,1367 23.493,1368 19.064,1369 16.597,1370 0.437,1371 0.313,1372 11.777,1373 16.167,1374 11.567,1375 9.532,1376 16.597,1377 11.886,1378 14.824,1379 0.28,1380 0.168,1381 14.824,1382 8.896,1383 12.8,1384 0.178,1385 0.091,1386 12.8,1387 6.537,1388 10.757,1389 0.112,1390 0.05,1391 10.757,1392 4.778,1393 8.952,1394 0.073,1395 0.028,1396 8.952,1397 3.439,1398 0.222,1399 102.752,1400 0.196,1401 31.961,1402 0.355,1403 182,1404 467.427,1405 195.005,1406 460.643,1407 637.1,1408 432,1409 216,1410 473.639,1411 228.897,1412 480.894,1413 706.32,1414 457,1415 4.468}
{0 CHEMBL496255,1 1.091,2 9.815,3 5.417,4 29.344,5 117.387,6 5.133,8 4.321,9 4.481,10 3.58,11 3.834,12 5.004,13 3.73,14 5.023,15 5.263,16 4.037,17 4.376,18 5.554,19 4.245,20 5.43,21 5.671,22 4.251,23 4.742,24 5.97,25 4.565,26 5.773,27 6.065,28 4.233,29 4.909,30 6.259,31 4.67,32 5.875,33 6.217,34 4.07,35 4.855,36 6.296,37 4.575,38 5.698,39 6.043,40 3.866,41 4.666,42 6.127,43 4.381,44 5.506,45 5.851,46 3.629,47 4.461,48 5.939,49 4.167,50 5.318,51 5.678,52 3.432,53 4.225,54 5.725,55 3.93,56 0.101,57 1.028,58 19.45,59 7.942,60 8.247,61 11.722,62 0.214,63 1.831,64 35.787,65 14.221,66 10.516,67 21.163,68 0.258,69 2.648,70 51.984,71 22.163,72 17.009,73 32.147,74 0.331,75 3.281,76 66.662,77 28.272,78 24.976,79 41.099,80 0.367,81 3.246,82 68.143,83 28.127,84 26.786,85 41.285,86 0.309,87 2.694,88 56.72,89 23.338,90 23.69,91 34.295,92 0.252,93 2.204,94 46.536,95 19.128,96 19.668,97 28.124,98 0.216,99 1.77,100 37.754,101 15.104,102 15.747,103 22.439,104 55,105 48,106 0.175,107 0.304,108 0.566,109 0.705,110 0.782,111 0.817,112 3.341,113 1.201,114 -6.48,115 -6.31,116 -5.85,121 34.2,122 3,123 9,124 5,125 2,126 4,129 2,176 20,180 4,187 34,192 4,200 38,206 6,214 31,219 5,227 20,232 4,239 15,244 4,251 8,256 5,264 3,269 5,277 2,281 933,282 17.426,283 17.426,284 17.426,285 17.426,286 17.426,287 17.426,288 13.033,289 9.438,290 17.65,291 14.665,292 14.665,293 14.665,294 14.665,295 14.665,296 14.665,297 19.571,298 4.311,299 14.989,300 5.098,301 4.287,302 2.655,303 1.788,304 1.305,305 1.086,306 4.027,312 1,313 568,314 4.243,317 42.13,318 136.107,321 69.076,322 150.637,325 1.674,326 8.378,329 0.75,330 0.83,331 0.83,332 0.5,333 0.5,334 0.83,335 1,336 0.75,337 55,338 265,339 4.722,340 3.727,341 7.966,342 4.721,343 3.722,344 3.722,345 0.8,346 15.077,347 3.719,348 4.533,349 3.542,350 7.828,351 4.531,352 3.533,353 3.533,354 0.8,355 14.45,356 3.528,357 3.745,358 2.948,359 6.4,360 3.708,361 2.745,362 2.745,364 9.386,365 2.653,366 3.648,367 2.88,368 6.012,369 3.596,370 2.648,371 2.648,373 8.268,374 2.511,375 3.327,376 2.395,377 5.876,378 3.305,379 2.327,380 2.327,382 7.737,383 2.268,384 2.94,385 1.962,386 5.38,387 2.934,388 1.94,389 1.94,391 5.881,392 1.927,393 2.638,394 1.7,395 4.88,396 2.629,397 1.638,398 1.638,400 4.528,401 1.623,402 2.49,403 1.556,404 4.655,405 2.464,406 1.49,407 1.49,409 4.339,410 1.447,411 2.261,412 1.422,413 4.007,414 2.216,415 1.261,416 1.261,418 2.974,419 1.201,420 2.068,421 1.083,422 3.832,423 2.063,424 1.068,425 1.068,427 2.743,428 1.062,429 1.712,430 0.763,431 3.524,432 1.7,433 0.712,434 0.712,436 1.681,437 0.702,438 1.496,439 0.546,440 3.315,441 1.481,442 0.496,443 0.496,445 1.218,446 0.488,447 0.958,448 0.002,449 3.166,450 0.95,451 -0.042,452 -0.042,454 -0.106,455 -0.041,456 0.8,457 -0.193,458 2.934,459 0.798,460 -0.2,461 -0.2,463 -0.566,464 -0.2,465 0.511,466 -0.472,467 2.755,468 0.507,469 -0.489,470 -0.489,472 -1.339,473 -0.487,474 13.3,475 0.493,476 1.077,477 0.04,478 16.5,479 0.611,482 16.5,483 0.611,484 48.221,485 1.786,486 33.5,487 0.459,488 4.985,489 0.185,490 1.276,491 0.047,492 11.405,493 0.422,494 0.263,495 0.075,496 0.323,501 1.12,502 1.582,503 1.248,504 1.409,505 1.623,506 1.348,507 1.738,508 0.988,509 1.101,510 0.964,511 0.841,512 0.996,513 1.091,514 1.269,515 1.271,516 1.295,517 1.005,518 1.292,519 0.827,520 1.218,521 1.169,522 1.238,523 1.01,524 1.223,525 0.828,526 0.939,527 0.941,528 0.956,529 0.805,530 0.954,531 0.843,532 0.925,533 0.935,534 0.943,535 0.882,536 0.943,537 0.807,538 0.968,539 0.953,540 0.98,541 1.033,542 0.974,543 0.804,544 0.871,545 0.826,546 0.848,547 0.793,548 0.84,549 8,550 0.114,551 6.222,552 3.444,553 2.841,554 1.486,555 0.864,556 0.53,557 0.375,558 0.238,559 7573,560 8973,561 2.014,562 63,563 24,564 14,569 8,572 1.703,573 1.8,574 3.234,575 -0.916,582 79.677,583 1.091,584 1.902,585 3.535,586 4.402,587 4.885,588 5.104,589 2.756,590 4.533,591 4.72,592 3.386,593 1188.49,594 8.212,595 14141.7,600 451.857,601 1.84,602 4.627,603 0.267,604 0.009,605 0.13,606 0.062,607 0.057,608 0.036,609 0.026,610 0.021,611 0.018,612 0.013,613 0.638,614 0.67,615 0.88,616 1.135,617 130.269,618 0.175,619 -0.133,620 0.089,621 -0.018,622 -0.183,623 0.023,624 -0.116,625 0.276,626 0.112,627 0.215,628 0.052,629 0.181,630 -0.115,631 -0.049,632 -0.116,633 -0.087,634 -0.051,635 -0.099,636 -0.052,637 -0.156,638 -0.137,639 -0.157,640 -0.098,641 -0.152,642 -0.003,643 -0.01,644 -0.003,645 -0.006,646 0.021,647 -0.005,648 -0.006,649 -0.005,650 -0.002,651 -0.003,652 0.017,653 -0.002,654 0.003,655 -0.053,656 -0.025,657 -0.041,658 -0.072,659 -0.035,660 0.077,661 0.005,662 0.076,663 0.046,664 0.081,665 0.058,666 0.644,667 0.72,668 0.63,669 23.663,670 0.968,671 1.139,672 5.251,673 27.574,674 0.599,675 3.434,676 3.892,677 4.263,678 4.564,679 4.86,680 5.088,681 5.303,682 5.501,683 5.656,684 5.74,685 5.682,686 0.529,687 374.73,688 3.434,689 5.056,690 5.974,691 6.925,692 7.866,693 8.823,694 9.773,695 10.734,696 11.688,697 12.652,698 2.7,701 2,741 73,745 30,747 76,748 25,756 4,757 10,763 3,764 2,766 2,767 10,768 5,770 11,773 25,774 5,793 46,794 2,796 2,802 2,808 0.25,828 1,829 3,832 1,833 2,855 2,859 1,864 7,868 27,876 9,880 7,881 2,882 2,901 15,902 14.733,903 5.639,904 5.017,908 1,909 0.895,910 5.246,911 8.055,912 3.434,913 3.892,914 4.263,915 4.564,916 4.86,917 5.088,918 5.303,919 5.501,920 5.656,921 5.74,922 0.857,923 56,924 10.163,926 4.38,927 0.026,929 7.105,931 21.563,933 20.235,936 1.605,937 43.333,938 0.002,941 541.471,942 82.872,943 6.249,948 82.872,949 541.471,950 6.249,951 60.061,952 22.811,955 6.249,957 541.471,959 541.471,960 89.121,964 447.302,965 94.169,968 55.535,969 33.586,972 541.471,973 6.249,974 82.872,977 541.471,978 22.811,979 66.31,982 541.471,983 6.249,984 82.872,986 0.62,987 0.383,988 0.192,989 0.106,990 27,991 13,992 0.039,993 3,994 3,995 1.353,996 3.553,997 257.81,998 0.353,999 17,1000 122.382,1005 20.205,1006 7.011,1007 3.034,1009 6.249,1018 630.591,1019 30,1031 70.643,1032 83.131,1034 0.176,1035 0.307,1036 0.571,1037 0.711,1038 0.789,1039 0.825,1040 4.844,1041 1.49,1042 6.075,1043 4.528,1044 4.575,1045 4.575,1046 1.072,1047 7.091,1048 4.542,1049 6.043,1050 1.261,1051 7.786,1052 4.339,1053 4.635,1054 4.635,1055 0.57,1056 8.662,1057 4.591,1058 7.404,1059 1.068,1060 9.616,1061 2.974,1062 6.444,1063 6.444,1064 0.653,1065 11.806,1066 6.4,1067 8.796,1068 0.712,1069 11.517,1070 2.743,1071 7.287,1072 7.287,1073 0.479,1074 14.157,1075 7.242,1076 10.23,1077 0.496,1078 13.465,1079 1.681,1080 8.703,1081 8.703,1082 0.432,1083 16.963,1084 8.66,1085 11.687,1086 -0.042,1087 15.444,1088 1.218,1089 9.833,1090 9.833,1091 0.346,1092 19.554,1093 9.795,1094 13.164,1095 -0.2,1096 17.445,1097 -0.106,1098 11.147,1099 11.147,1100 0.291,1101 22.279,1102 11.112,1103 3.722,1104 -0.489,1105 19.462,1106 -0.566,1107 12.38,1108 12.38,1109 0.237,1110 24.942,1111 12.349,1112 3.533,1113 15.077,1114 21.491,1115 -1.339,1116 13.671,1117 13.671,1118 0.195,1119 27.647,1120 13.643,1121 2.745,1122 14.45,1123 23.529,1124 3.722,1125 14.942,1126 14.942,1127 0.158,1128 30.333,1129 14.916,1130 2.648,1131 9.386,1132 25.574,1133 3.533,1134 16.232,1135 16.232,1136 0.129,1137 33.033,1138 16.208,1139 2.327,1140 8.268,1141 27.624,1142 2.745,1143 17.517,1144 17.517,1145 0.104,1146 35.726,1147 17.495,1148 1.94,1149 7.737,1150 29.678,1151 2.648,1152 18.81,1153 18.81,1154 0.084,1155 38.425,1156 18.789,1157 1.638,1158 5.881,1159 31.735,1160 2.327,1161 20.103,1162 20.103,1163 0.068,1164 41.122,1165 20.082,1166 7444,1167 8090,1168 18.898,1169 43.762,1170 47.16,1171 47.127,1172 50.551,1173 47.18,1174 47.16,1175 47.16,1176 3.2,1177 156.567,1178 46.262,1179 5.722,1180 5.727,1181 7.223,1182 5.721,1183 5.722,1184 5.722,1185 1.2,1186 23.861,1187 5.719,1188 17.387,1189 1.572,1190 1.571,1191 1.685,1192 1.573,1193 1.572,1194 1.572,1195 0.107,1196 5.219,1197 1.542,1198 4.123,1199 4.166,1200 4.024,1201 4.048,1202 4.527,1203 4.037,1204 3.909,1205 3.96,1206 3.8,1207 3.814,1208 4.387,1209 3.804,1210 3.684,1211 3.761,1212 3.548,1213 3.518,1214 4.279,1215 3.514,1216 3.554,1217 3.64,1218 3.399,1219 3.355,1220 4.151,1221 3.354,1222 3.418,1223 3.493,1224 3.23,1225 3.285,1226 3.841,1227 3.262,1228 3.359,1229 3.447,1230 3.157,1231 3.176,1232 3.821,1233 3.16,1234 3.211,1235 3.301,1236 2.994,1237 3.048,1238 3.73,1239 3.024,1240 3.173,1241 3.278,1242 2.911,1243 2.968,1244 3.695,1245 2.94,1246 0.157,1247 0.124,1248 0.266,1249 0.157,1250 0.124,1251 4.722,1252 0.124,1253 3.727,1254 0.027,1255 7.966,1256 0.503,1257 4.721,1258 0.124,1259 3.722,1260 3.722,1261 0.8,1262 15.077,1263 3.719,1264 2.059,1265 2.021,1266 2.22,1267 2.161,1268 1.704,1269 2.183,1270 1.843,1271 1.795,1272 2.035,1273 1.989,1274 1.462,1275 2.007,1276 1.729,1277 1.668,1278 1.955,1279 1.91,1280 1.336,1281 1.929,1282 1.53,1283 1.454,1284 1.801,1285 1.748,1286 1.109,1287 1.772,1288 1.479,1289 1.4,1290 1.771,1291 1.692,1292 1.057,1293 1.725,1294 1.401,1295 1.321,1296 1.71,1297 1.6,1298 0.945,1299 1.643,1300 1.282,1301 1.194,1302 1.623,1303 1.501,1304 0.817,1305 1.548,1306 1.198,1307 1.097,1308 1.589,1309 1.448,1310 0.779,1311 1.503,1312 4.111,1314 5.533,1315 2.398,1316 7.168,1317 4.844,1318 8.903,1319 7.066,1320 10.694,1322 17.099,1328 13.461,1332 6.527,1333 4.999,1334 1.247,1340 38.632,1341 79.677,1342 138.879,1343 258.03,1344 321.354,1345 356.573,1346 372.573,1347 46.891,1348 8.055,1349 6.48,1350 6.48,1351 23,1352 13.134,1355 40.145,1356 93,1357 93,1358 0.227,1359 234.594,1360 413.62,1361 564.169,1362 31999,1364 19.56,1365 0.724,1366 0.715,1367 19.56,1368 19.3,1369 12.681,1370 0.423,1371 0.4,1372 11.933,1373 12.446,1374 11.3,1375 9.433,1376 12.681,1377 12.01,1378 12.767,1379 0.266,1380 0.25,1381 12.767,1382 11.981,1383 11.409,1384 0.163,1385 0.155,1386 11.409,1387 10.839,1388 9.266,1389 0.098,1390 0.094,1391 9.266,1392 8.897,1393 7.646,1394 0.06,1395 0.057,1396 7.646,1397 7.262,1398 0.344,1399 77.575,1400 0.23,1401 25.133,1402 0.664,1403 156,1404 195.29,1405 159.497,1406 199.03,1407 285.84,1408 188,1409 196,1410 219.521,1411 200.33,1412 234.739,1413 344.49,1414 216,1415 4.656}
{0 CHEMBL496259,1 1.274,2 11.871,3 4.646,4 21.586,5 127.586,6 5.845,8 4.333,9 4.477,10 3.686,11 3.874,12 5.19,13 3.793,14 4.991,15 5.203,16 4.138,17 4.383,18 5.749,19 4.275,20 5.392,21 5.616,22 4.347,23 4.699,24 6.158,25 4.558,26 5.67,27 5.935,28 4.381,29 4.831,30 6.418,31 4.65,32 5.759,33 6.057,34 4.206,35 4.772,36 6.549,37 4.558,38 5.604,39 5.928,40 4.021,41 4.6,42 6.24,43 4.373,44 5.39,45 5.693,46 3.929,47 4.434,48 6.117,49 4.229,50 5.284,51 5.583,52 3.776,53 4.273,54 6.098,55 4.074,56 0.084,57 1.021,58 18.454,59 7.843,60 11.399,61 11.203,62 0.241,63 1.789,64 34.481,65 14.105,66 26.331,67 20.39,68 0.365,69 2.535,70 50.922,71 20.561,72 43.889,73 29.682,74 0.433,75 3.065,76 65.381,77 25.492,78 60.689,79 37.175,80 0.77,81 3.064,82 70.428,83 25.159,84 118.858,85 37.409,86 0.464,87 2.584,88 58.552,89 21.889,90 61.707,91 32.566,92 0.365,93 2.146,94 48.156,95 18.037,96 52.892,97 26.632,98 0.443,99 1.853,100 43.791,101 15.341,102 66.868,103 22.678,104 75,105 53,106 0.202,107 0.468,108 0.744,109 0.849,110 0.87,111 0.87,112 3.473,113 1.102,114 -5.21,115 -5.1,116 -4.77,121 37,122 5,123 7,124 4,125 2,126 1,129 2,137 2,138 2,158 1,160 1,176 22,180 2,183 1,185 4,187 34,192 4,195 1,197 5,200 34,206 7,211 8,214 30,218 1,219 5,224 5,227 21,232 5,237 4,239 19,244 7,249 4,251 14,256 5,261 5,264 12,269 2,274 4,277 11,281 1488,282 20.158,283 20.158,284 20.158,285 20.158,286 20.158,287 19.378,288 22.342,289 11.137,290 20.248,291 16.599,292 16.599,293 16.599,294 16.599,295 16.599,296 15.334,297 25.473,298 5.063,299 16.666,300 4.916,301 3.229,302 1.487,303 0.822,304 0.692,305 0.692,306 4.158,312 1,313 781,314 4.637,317 55.101,318 168.338,321 90.478,322 186.033,325 2.133,326 29.641,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 65,338 368,339 4.78,340 3.984,341 7.979,342 4.731,343 3.731,344 3.948,345 1.399,346 15.14,347 3.732,348 4.599,349 3.668,350 7.855,351 4.554,352 3.553,353 3.636,354 1.033,355 14.584,356 3.556,357 3.984,358 3.508,359 6.459,360 3.802,361 2.801,362 3.24,363 0.68,364 9.669,365 2.802,366 3.82,367 3.358,368 6.155,369 3.534,370 2.542,371 2.991,372 0.4,373 8.638,374 2.522,375 3.519,376 2.64,377 5.692,378 3.406,379 2.393,380 2.529,382 7.036,383 2.415,384 3.283,385 2.523,386 5.374,387 3.16,388 2.176,389 2.355,391 6.597,392 2.139,393 3.183,394 2.302,395 5.105,396 2.96,397 1.965,398 2.185,400 5.7,401 1.95,402 3.043,403 2.174,404 4.847,405 2.707,406 1.689,407 2.056,409 4.699,410 1.711,411 2.658,412 1.903,413 4.287,414 2.631,415 1.629,416 1.652,418 4.118,419 1.631,420 2.421,421 1.625,422 4.208,423 2.258,424 1.257,425 1.331,427 3.168,428 1.256,429 2.188,430 1.299,431 4.059,432 2.094,433 1.101,434 1.158,436 2.866,437 1.089,438 1.873,439 1.013,440 3.565,441 1.734,442 0.73,443 0.789,445 1.805,446 0.731,447 1.548,448 0.772,449 3.462,450 1.393,451 0.39,452 0.426,454 0.974,455 0.387,456 1.236,457 0.565,458 3.187,459 1.152,460 0.2,461 0.203,463 0.291,464 0.19,465 1.108,466 0.391,467 3.053,468 1.006,469 -0.006,470 -0.006,472 -0.015,473 -0.006,474 14.967,475 0.483,476 1.145,477 0.037,478 24.5,479 0.79,480 6,481 0.194,482 18.5,483 0.597,484 48.64,485 1.569,486 36.633,487 0.502,488 15.411,489 0.497,490 3.313,491 0.107,492 11.3,493 0.365,494 0.245,495 0.067,496 0.334,501 0.686,502 1.326,503 1.054,504 1.238,505 0.581,506 1.183,507 0.598,508 1.082,509 0.923,510 1.042,511 0.455,512 1.011,513 0.791,514 1.197,515 1.107,516 1.206,517 0.741,518 1.186,519 0.832,520 1.211,521 1.062,522 1.202,523 0.821,524 1.161,525 1.228,526 0.963,527 1.083,528 0.982,529 1.204,530 1.014,531 0.773,532 0.852,533 0.853,534 0.864,535 0.738,536 0.864,537 0.858,538 0.999,539 0.931,540 1.004,541 0.859,542 0.977,543 1.502,544 0.935,545 1.018,546 0.915,547 1.671,548 0.929,549 9,550 0.223,551 6.444,552 4.257,553 2.997,554 1.517,555 1.148,556 0.676,557 0.5,558 0.267,559 11465,560 20205,561 1.993,562 57.5,563 27,564 7,567 2,569 6,572 1.737,573 1.788,574 3.485,575 0.097,582 92.998,583 1.274,584 2.961,585 4.703,586 5.367,587 5.498,588 5.498,589 3.127,590 4.825,591 4.915,592 3.656,593 1699.93,594 8.597,595 22919.4,600 451.857,601 1.816,602 4.829,603 0.265,604 0.011,605 0.122,606 0.069,607 0.05,608 0.032,609 0.028,610 0.018,611 0.016,612 0.01,613 0.621,614 0.33,615 1,616 1.494,617 158.746,618 -0.011,619 0.024,620 0.049,621 0.05,622 -0.029,623 0.054,624 0.09,625 0.119,626 0.121,627 0.119,628 0.089,629 0.123,630 0.008,631 -0.049,632 -0.074,633 -0.076,634 0.006,635 -0.081,636 0.004,637 -0.172,638 -0.07,639 -0.151,640 0.022,641 -0.122,642 -0.044,643 -0.007,644 -0.089,645 -0.032,646 0.008,647 -0.06,648 0.012,649 0.064,650 0.083,651 0.073,652 0.005,653 0.084,654 0.022,655 -0.044,656 0.032,657 -0.032,658 0.023,659 -0.002,660 -0.098,661 -0.011,662 -0.013,663 0.021,664 -0.113,665 0.011,666 1.805,667 6.42,668 0.548,669 34.581,670 0.98,671 1.133,672 3.98,673 15.837,674 0.618,675 3.555,676 3.989,677 4.344,678 4.673,679 4.92,680 5.153,681 5.403,682 5.617,683 5.768,684 5.866,685 6.711,686 0.562,687 426.71,688 3.555,689 5.165,690 6.071,691 7.018,692 7.948,693 8.905,694 9.847,695 10.809,696 11.759,697 12.724,698 2.7,700 1,705 1,741 73,743 4,745 34,747 76,748 27,752 6,756 4,757 10,763 5,764 2,766 2,767 8,768 4,770 9,772 6,773 21,774 4,777 4,782 2,784 2,786 4,793 42,794 4,795 2,796 4,802 2,808 0.25,809 2,828 1,829 3,832 1,833 2,841 1,843 1,849 2,850 2,853 1,859 1,864 6,868 31,876 7,877 2,880 6,882 2,893 2.7,896 2,901 17.333,902 14.5,903 6.639,904 4.938,907 0.672,908 1.081,909 0.908,910 6.116,911 9.002,912 3.664,913 4.159,914 4.575,915 4.934,916 5.176,917 5.468,918 5.787,919 6.061,920 6.267,921 6.431,922 1,923 62,924 11.686,926 5.151,927 0.026,929 7.522,931 23.477,933 21.345,936 2.022,937 62.667,941 470.844,942 105.426,943 36.022,945 50.29,948 105.426,949 521.134,950 36.022,951 52.522,952 35.752,953 36.963,954 60.128,955 6.371,957 470.844,959 470.844,960 141.447,961 50.29,964 400.217,965 120.916,968 97.889,969 24.606,970 18.952,972 470.844,973 86.311,974 105.426,977 470.844,978 33.951,979 71.475,980 36.022,981 50.29,982 470.844,983 86.311,984 105.426,986 0.606,987 0.369,988 0.199,989 0.1,990 28,991 14,992 0.053,993 4,994 3,995 1.353,996 3.895,997 303.657,998 0.353,999 17,1000 151.58,1005 22.93,1006 8.269,1007 3.683,1009 86.311,1017 36.022,1018 662.581,1019 38,1024 25.661,1026 3.875,1028 2.006,1031 71.53,1032 82.719,1034 0.206,1035 0.478,1036 0.76,1037 0.867,1038 0.888,1039 0.888,1040 5.03,1041 1.689,1042 6.159,1043 5.7,1044 4.673,1045 4.844,1046 2.115,1047 7.16,1048 4.669,1049 6.252,1050 1.629,1051 7.855,1052 4.699,1053 4.691,1054 4.89,1056 8.7,1057 4.696,1058 7.615,1059 1.257,1060 9.672,1061 4.118,1062 6.515,1063 6.832,1064 2.435,1065 11.855,1066 6.51,1067 9.009,1068 1.101,1069 11.563,1070 3.168,1071 7.327,1072 7.636,1074 14.196,1075 7.33,1076 10.44,1077 0.73,1078 13.504,1079 2.866,1080 8.748,1081 9.158,1082 2.924,1083 17.011,1084 8.746,1085 11.896,1086 0.39,1087 15.479,1088 1.805,1089 9.867,1090 10.27,1092 19.602,1093 9.87,1094 13.37,1095 0.2,1096 17.478,1097 0.974,1098 11.184,1099 11.661,1100 3.496,1101 22.334,1102 11.185,1103 3.731,1104 -0.006,1105 19.494,1106 0.291,1107 12.416,1108 12.903,1110 25.001,1111 12.419,1112 3.553,1113 15.14,1114 21.524,1115 -0.015,1116 13.71,1117 14.255,1118 4.112,1119 27.711,1120 13.713,1121 2.801,1122 14.584,1123 23.563,1124 3.948,1125 14.982,1126 15.553,1128 30.402,1129 14.987,1130 2.542,1131 9.669,1132 25.609,1133 3.636,1134 16.275,1135 16.897,1136 4.754,1137 33.107,1138 16.28,1139 2.393,1140 8.638,1141 27.661,1142 3.24,1143 17.563,1144 18.222,1146 35.806,1147 17.569,1148 2.176,1149 7.036,1150 29.716,1151 2.991,1152 18.859,1153 19.566,1154 5.409,1155 38.51,1156 18.865,1157 1.965,1158 6.597,1159 31.775,1160 2.529,1161 20.154,1162 20.905,1164 41.212,1165 20.161,1166 11312,1167 15116,1168 21.383,1169 45.148,1170 52.976,1171 54.802,1172 57.176,1173 52.246,1174 52.315,1175 56.998,1176 7.024,1177 170.569,1178 52.223,1179 5.78,1180 5.984,1181 7.523,1182 5.737,1183 5.731,1184 6.459,1185 2.797,1186 23.978,1187 5.732,1188 20.678,1189 1.558,1190 1.612,1191 1.682,1192 1.537,1193 1.539,1194 1.676,1195 0.207,1196 5.017,1197 1.536,1198 4.124,1199 4.161,1200 4.039,1201 4.052,1202 7.433,1203 4.044,1204 3.908,1205 3.948,1206 3.822,1207 3.814,1208 7.423,1209 3.809,1210 3.753,1211 3.796,1212 3.663,1213 3.633,1214 4.549,1215 3.632,1216 3.606,1217 3.675,1218 3.47,1219 3.458,1220 4.402,1221 3.451,1222 3.46,1223 3.537,1224 3.303,1225 3.289,1226 4.382,1227 3.277,1228 3.399,1229 3.468,1230 3.233,1231 3.262,1232 4.207,1233 3.249,1234 3.289,1235 3.367,1236 3.103,1237 3.113,1238 4.017,1239 3.099,1240 3.177,1241 3.246,1242 3.044,1243 2.979,1244 3.866,1245 2.977,1246 0.141,1247 0.117,1248 0.235,1249 0.139,1250 0.11,1251 4.78,1252 0.116,1253 3.984,1254 0.041,1255 7.979,1256 0.445,1257 4.731,1258 0.11,1259 3.731,1260 3.948,1261 1.399,1262 15.14,1263 3.732,1264 2.054,1265 2.023,1266 2.195,1267 2.149,1268 1.653,1269 2.165,1270 1.829,1271 1.788,1272 2.009,1273 1.972,1274 1.398,1275 1.986,1276 1.736,1277 1.69,1278 1.94,1279 1.902,1280 1.3,1281 1.915,1282 1.684,1283 1.631,1284 1.908,1285 1.834,1286 1.039,1287 1.86,1288 1.449,1289 1.382,1290 1.737,1291 1.657,1292 1.004,1293 1.69,1294 1.428,1295 1.356,1296 1.7,1297 1.629,1298 0.988,1299 1.655,1300 1.339,1301 1.267,1302 1.628,1303 1.54,1304 0.842,1305 1.574,1306 1.192,1307 1.107,1308 1.562,1309 1.441,1310 0.73,1311 1.486,1312 4.234,1314 5.638,1315 2.398,1316 7.253,1317 4.844,1318 8.977,1319 7.066,1320 10.763,1322 13.183,1328 7.996,1329 6.51,1332 3.036,1334 0.399,1340 41.008,1341 92.998,1342 216.171,1343 343.289,1344 391.818,1345 401.328,1346 401.328,1347 78.283,1348 8.33,1349 58.2,1350 58.2,1351 23,1352 13.207,1353 2.322,1354 2.322,1355 49.501,1356 124,1357 138,1358 0.205,1359 250.062,1360 455.24,1361 601.91,1362 45715,1364 22.552,1365 0.727,1366 0.658,1367 22.552,1368 20.385,1369 14.613,1370 0.43,1371 0.367,1372 12.418,1373 14.329,1374 11.839,1375 9.861,1376 14.613,1377 12.49,1378 14.309,1379 0.27,1380 0.22,1381 14.309,1382 11.639,1383 12.357,1384 0.163,1385 0.13,1386 12.357,1387 9.868,1388 10.818,1389 0.102,1390 0.078,1391 10.818,1392 8.236,1393 8.18,1394 0.06,1395 0.046,1396 8.18,1397 6.193,1398 0.316,1399 89.799,1400 0.216,1401 28.643,1402 0.577,1403 174,1404 334.137,1405 181.76,1406 328.506,1407 449.5,1408 306,1409 216,1410 328.371,1411 223.373,1412 339.325,1413 500.82,1414 318,1415 5.004}
{0 CHEMBL496487,1 1.251,2 12,3 4.935,4 24.355,5 133.498,6 5.676,8 4.397,9 4.544,10 3.723,11 3.916,12 5.236,13 3.833,14 5.057,15 5.276,16 4.177,17 4.428,18 5.787,19 4.319,20 5.452,21 5.674,22 4.387,23 4.76,24 6.19,25 4.614,26 5.769,27 6.04,28 4.426,29 4.909,30 6.466,31 4.719,32 5.862,33 6.166,34 4.283,35 4.867,36 6.588,37 4.647,38 5.729,39 6.048,40 4.101,41 4.731,42 6.338,43 4.493,44 5.586,45 5.908,46 3.996,47 4.573,48 6.228,49 4.343,50 5.42,51 5.725,52 3.852,53 4.401,54 6.161,55 4.188,56 0.103,57 1.085,58 20.142,59 8.364,60 12.741,61 12.021,62 0.285,63 1.896,64 37.23,65 14.809,66 26.432,67 21.591,68 0.391,69 2.691,70 54.479,71 22.006,72 40.251,73 31.786,74 0.484,75 3.314,76 71.401,77 27.715,78 59.76,79 40.575,80 0.812,81 3.326,82 76.569,83 27.542,84 107.507,85 41.032,86 0.509,87 2.897,88 65.42,89 24.734,90 58.607,91 36.672,92 0.432,93 2.48,94 56.625,95 21.238,96 55.14,97 31.487,98 0.471,99 2.088,100 49.062,101 17.428,102 63.39,103 25.883,104 92,105 55,106 0.196,107 0.456,108 0.74,109 0.837,110 0.856,111 0.856,112 3.503,113 1.114,114 -5.5,115 -5.37,116 -5.02,121 35.9,122 5,123 7,124 4,125 2,126 2,129 3,137 2,138 2,160 1,176 22,180 3,183 1,185 3,187 34,192 3,196 1,197 6,200 34,206 7,211 8,214 30,219 4,222 1,224 6,227 21,232 4,237 5,239 19,244 5,249 6,251 14,256 5,261 5,264 12,269 3,274 3,277 11,281 1608,282 20.495,283 20.495,284 20.495,285 20.495,286 20.495,287 19.807,288 22.937,289 11.28,290 20.662,291 17.135,292 17.135,293 17.135,294 17.135,295 17.135,296 16.076,297 32.112,298 5.203,299 17.394,300 5.034,301 3.368,302 1.555,303 0.933,304 0.811,305 0.811,306 4.186,312 1,313 812,314 4.848,317 57.094,318 176.032,321 93.855,322 194.587,325 2.188,326 28.094,329 0.75,330 1,331 1,332 1,333 1,334 1,335 1,336 0.96,337 67,338 384,339 4.772,340 3.91,341 7.981,342 4.731,343 3.733,344 3.89,345 1.058,346 15.15,347 3.727,348 4.594,349 3.653,350 7.858,351 4.554,352 3.557,353 3.627,354 1.012,355 14.599,356 3.546,357 3.95,358 3.483,359 6.481,360 3.786,361 2.814,362 3.232,363 0.68,364 9.73,365 2.731,366 3.79,367 3.009,368 6.226,369 3.626,370 2.663,371 2.843,372 0.578,373 8.831,374 2.573,375 3.632,376 2.836,377 5.89,378 3.429,379 2.43,380 2.664,382 7.721,383 2.413,384 3.315,385 2.519,386 5.419,387 3.27,388 2.285,389 2.33,391 6.651,392 2.244,393 3.176,394 2.396,395 5.131,396 2.954,397 1.966,398 2.211,400 5.712,401 1.94,402 2.923,403 1.988,404 4.928,405 2.71,406 1.699,407 1.909,409 4.708,410 1.712,411 2.835,412 1.907,413 4.697,414 2.648,415 1.651,416 1.823,418 4.339,419 1.643,420 2.57,421 1.673,422 4.282,423 2.467,424 1.494,425 1.563,427 4.118,428 1.449,429 2.197,430 1.412,431 4.076,432 2.176,433 1.192,434 1.195,436 3.02,437 1.17,438 1.871,439 1.078,440 3.57,441 1.803,442 0.821,443 0.842,445 1.957,446 0.803,447 1.603,448 0.782,449 3.464,450 1.514,451 0.533,452 0.556,454 1.3,455 0.522,456 1.447,457 0.679,458 3.314,459 1.338,460 0.383,461 0.393,463 0.964,464 0.363,465 1,466 0.317,467 3.184,468 0.981,469 -0.002,470 -0.002,472 -0.005,473 -0.002,474 15.467,475 0.483,476 1.272,477 0.04,478 23.25,479 0.727,480 4,481 0.125,482 19.25,483 0.602,484 53.926,485 1.685,486 38.533,487 0.494,488 13.711,489 0.428,490 3.011,491 0.094,492 11.974,493 0.374,494 0.269,495 0.065,496 0.349,501 0.851,502 1.412,503 1.107,504 1.289,505 0.805,506 1.228,507 0.775,508 1.051,509 0.959,510 1.008,511 0.543,512 0.994,513 0.865,514 1.258,515 1.173,516 1.267,517 0.814,518 1.248,519 0.867,520 1.212,521 1.082,522 1.205,523 0.812,524 1.169,525 1.227,526 0.948,527 1.065,528 0.965,529 1.206,530 0.996,531 0.839,532 0.942,533 0.947,534 0.961,535 0.824,536 0.963,537 0.806,538 0.93,539 0.875,540 0.937,541 0.8,542 0.915,543 1.414,544 0.958,545 1.027,546 0.945,547 1.493,548 0.957,549 9.5,550 0.248,551 6.667,552 4.382,553 3.192,554 1.653,555 1.209,556 0.735,557 0.562,558 0.303,559 12456,560 21102,561 1.976,562 59,563 27,564 11,567 2,569 6,572 1.745,573 1.761,574 3.508,575 0.084,582 97.572,583 1.251,584 2.917,585 4.73,586 5.352,587 5.474,588 5.474,589 3.129,590 4.625,591 4.96,592 3.694,593 1831.98,594 8.688,595 25334.9,600 490.261,601 1.819,602 4.868,603 0.271,604 0.011,605 0.121,606 0.068,607 0.051,608 0.032,609 0.028,610 0.019,611 0.017,612 0.01,613 0.631,614 0.33,615 0.88,616 1.483,617 165.719,618 -0.015,619 -0.032,620 0.051,621 0.033,622 -0.08,623 0.043,624 0.058,625 0.177,626 0.124,627 0.16,628 0.082,629 0.151,630 -0.009,631 -0.074,632 -0.107,633 -0.103,634 -0.018,635 -0.112,636 -0.005,637 -0.164,638 -0.079,639 -0.148,640 0.014,641 -0.124,642 -0.041,643 0.011,644 -0.071,645 -0.013,646 -0.001,647 -0.04,648 -0.017,649 -0.004,650 -0.001,651 -0.005,652 -0.026,653 -0.002,654 0.035,655 -0.007,656 0.067,657 0.011,658 0.027,659 0.039,660 -0.087,661 -0.026,662 -0.029,663 -0.003,664 -0.083,665 -0.012,666 1.761,667 5.365,668 0.531,669 36.75,670 0.978,671 1.135,672 4.268,673 18.217,674 0.611,675 3.584,676 4.025,677 4.369,678 4.691,679 4.949,680 5.176,681 5.429,682 5.649,683 5.811,684 5.911,685 6.887,686 0.552,687 442.76,688 3.584,689 5.198,690 6.103,691 7.05,692 7.98,693 8.935,694 9.878,695 10.839,696 11.789,697 12.753,698 2.6,701 1,705 1,741 78,743 3,745 35,747 81,748 28,752 3,756 4,757 10,763 5,764 2,766 2,767 9,768 4,770 10,772 5,773 23,774 4,777 3,782 1,784 2,786 3,793 46,794 4,795 2,796 4,802 2,808 0.25,809 2,811 1,828 1,829 3,832 1,833 2,843 1,849 2,850 2,855 1,857 1,859 1,864 7,868 32,875 1,876 7,877 1,880 7,881 1,882 2,893 2.6,894 1,896 1,901 18.167,902 15.567,903 6.75,904 5.144,907 0.542,908 1.065,909 0.884,910 6.553,911 8.945,912 3.664,913 4.159,914 4.543,915 4.898,916 5.112,917 5.366,918 5.67,919 5.916,920 6.116,921 6.26,922 1,923 64,924 12.059,926 5.284,927 0.026,929 7.464,931 24.38,933 22.173,936 1.964,937 62.833,941 517.928,942 108.689,943 21.135,945 67.828,948 108.689,949 585.757,950 21.135,951 60.919,952 35.752,953 61.636,954 29.85,955 9.495,957 517.928,959 517.928,960 129.824,961 67.828,964 447.302,965 95.772,966 42.683,968 83.003,969 27.869,970 18.952,972 517.928,973 88.963,974 108.689,977 517.928,978 28.818,979 82.996,980 18.011,981 67.828,982 517.928,983 88.963,984 108.689,986 0.613,987 0.366,988 0.193,989 0.099,990 29,991 15,992 0.049,993 4,994 3,995 1.353,996 3.948,997 317.213,998 0.353,999 17,1000 154,1005 24.173,1006 8.674,1007 3.984,1009 88.963,1017 60.694,1018 715.581,1019 38,1024 12.321,1026 4.232,1028 2.611,1031 76.297,1032 88.55,1034 0.199,1035 0.464,1036 0.753,1037 0.852,1038 0.871,1039 0.871,1040 5.043,1041 1.699,1042 6.196,1043 5.712,1044 4.71,1045 4.844,1046 1.886,1047 7.195,1048 4.684,1049 6.263,1050 1.651,1051 7.893,1052 4.708,1053 4.745,1054 4.89,1055 0.325,1056 8.723,1057 4.714,1058 7.624,1059 1.494,1060 9.709,1061 4.339,1062 6.55,1063 6.801,1064 1.762,1065 11.878,1066 6.511,1067 9.014,1068 1.192,1069 11.598,1070 4.118,1071 7.366,1072 7.596,1073 0.393,1074 14.21,1075 7.327,1076 10.441,1077 0.821,1078 13.536,1079 3.02,1080 8.779,1081 9.101,1082 1.741,1083 17.025,1084 8.737,1085 11.893,1086 0.533,1087 15.507,1088 1.957,1089 9.896,1090 10.201,1091 0.458,1092 19.612,1093 9.857,1094 13.364,1095 0.383,1096 17.502,1097 1.3,1098 11.208,1099 11.58,1100 1.764,1101 22.344,1102 11.169,1103 3.733,1104 -0.002,1105 19.516,1106 0.964,1107 12.437,1108 12.808,1109 0.52,1110 25.01,1111 12.4,1112 3.557,1113 15.15,1114 21.542,1115 -0.005,1116 13.729,1117 14.148,1118 1.809,1119 27.721,1120 13.692,1121 2.814,1122 14.599,1123 23.579,1124 3.89,1125 15,1126 15.433,1127 0.576,1128 30.412,1129 14.963,1130 2.663,1131 9.73,1132 25.623,1133 3.627,1134 16.291,1135 16.764,1136 1.866,1137 33.117,1138 16.255,1139 2.43,1140 8.831,1141 27.673,1142 3.232,1143 17.578,1144 18.075,1145 0.624,1146 35.817,1147 17.542,1148 2.285,1149 7.721,1150 29.728,1151 2.843,1152 18.873,1153 19.406,1154 1.931,1155 38.521,1156 18.837,1157 1.966,1158 6.651,1159 31.786,1160 2.664,1161 20.168,1162 20.731,1163 0.666,1164 41.224,1165 20.132,1166 12318,1167 16074,1168 21.789,1169 47.671,1170 54.951,1171 55.864,1172 58.718,1173 54.412,1174 54.443,1175 58.159,1176 6.657,1177 177.6,1178 53.671,1179 5.772,1180 5.91,1181 7.216,1182 5.737,1183 5.733,1184 6.347,1185 2.117,1186 24.006,1187 5.727,1188 22.422,1189 1.57,1190 1.596,1191 1.678,1192 1.555,1193 1.556,1194 1.662,1195 0.19,1196 5.074,1197 1.533,1198 4.126,1199 4.164,1200 4.036,1201 4.054,1202 7.43,1203 4.045,1204 3.913,1205 3.955,1206 3.824,1207 3.821,1208 6.448,1209 3.815,1210 3.755,1211 3.801,1212 3.665,1213 3.633,1214 4.586,1215 3.633,1216 3.64,1217 3.711,1218 3.503,1219 3.483,1220 4.406,1221 3.478,1222 3.492,1223 3.565,1224 3.34,1225 3.323,1226 4.343,1227 3.315,1228 3.412,1229 3.484,1230 3.231,1231 3.272,1232 4.228,1233 3.255,1234 3.289,1235 3.368,1236 3.117,1237 3.11,1238 4.016,1239 3.097,1240 3.19,1241 3.274,1242 3.02,1243 3.002,1244 3.846,1245 2.989,1246 0.136,1247 0.112,1248 0.228,1249 0.135,1250 0.107,1251 4.772,1252 0.111,1253 3.91,1254 0.03,1255 7.981,1256 0.433,1257 4.731,1258 0.106,1259 3.733,1260 3.89,1261 1.058,1262 15.15,1263 3.727,1264 2.052,1265 2.017,1266 2.21,1267 2.157,1268 1.693,1269 2.176,1270 1.829,1271 1.787,1272 2.005,1273 1.971,1274 1.412,1275 1.984,1276 1.739,1277 1.694,1278 1.936,1279 1.908,1280 1.213,1281 1.919,1282 1.69,1283 1.64,1284 1.909,1285 1.841,1286 1.085,1287 1.867,1288 1.488,1289 1.413,1290 1.77,1291 1.686,1292 1.025,1293 1.719,1294 1.419,1295 1.351,1296 1.691,1297 1.614,1298 0.992,1299 1.642,1300 1.377,1301 1.304,1302 1.666,1303 1.579,1304 0.893,1305 1.615,1306 1.21,1307 1.12,1308 1.585,1309 1.452,1310 0.745,1311 1.503,1312 4.263,1314 5.673,1315 2.398,1316 7.288,1317 4.844,1318 9.009,1319 7.066,1320 10.792,1322 15.673,1327 11.365,1328 8.13,1329 3.116,1332 2.492,1333 2.366,1334 0.527,1340 43.062,1341 97.572,1342 227.519,1343 368.938,1344 417.467,1345 426.977,1346 426.977,1347 80.451,1348 8.403,1349 52.57,1350 52.57,1351 23,1352 13.236,1353 2,1354 2,1355 51.948,1356 132,1357 146,1358 0.202,1359 262.581,1360 475.18,1361 632.458,1362 49986,1364 23.422,1365 0.732,1366 0.67,1367 23.422,1368 21.449,1369 14.986,1370 0.428,1371 0.371,1372 12.904,1373 14.67,1374 12.256,1375 10.22,1376 14.986,1377 12.992,1378 15.026,1379 0.273,1380 0.226,1381 15.026,1382 12.423,1383 12.713,1384 0.163,1385 0.133,1386 12.713,1387 10.374,1388 10.927,1389 0.101,1390 0.079,1391 10.927,1392 8.505,1393 8.386,1394 0.06,1395 0.048,1396 8.386,1397 6.69,1398 0.314,1399 92.221,1400 0.214,1401 29.425,1402 0.569,1403 180,1404 323.863,1405 188.12,1406 319.559,1407 438.54,1408 298,1409 223,1410 320.641,1411 231.205,1412 334.283,1413 491.87,1414 311,1415 4.314}
{0 CHEMBL496488,1 1.115,2 9.815,3 5.052,4 25.523,5 118.933,6 5.372,8 4.27,9 4.424,10 3.57,11 3.801,12 5.012,13 3.704,14 4.946,15 5.182,16 4.021,17 4.323,18 5.546,19 4.205,20 5.309,21 5.536,22 4.228,23 4.668,24 5.932,25 4.508,26 5.636,27 5.912,28 4.206,29 4.825,30 6.2,31 4.604,32 5.741,33 6.071,34 4.042,35 4.769,36 6.22,37 4.507,38 5.569,39 5.903,40 3.839,41 4.579,42 6.051,43 4.312,44 5.377,45 5.709,46 3.606,47 4.381,48 5.862,49 4.105,50 5.233,51 5.588,52 3.412,53 4.167,54 5.681,55 3.882,56 0.093,57 0.974,58 18.147,59 7.41,60 8.988,61 10.939,62 0.205,63 1.721,64 33.221,65 13.028,66 12.279,67 19.483,68 0.231,69 2.425,70 46.885,71 20.045,72 20.072,73 29.046,74 0.295,75 3.016,76 60.426,77 25.742,78 29.419,79 37.363,80 0.332,81 3.019,82 62.657,83 26,84 30.597,85 38.091,86 0.288,87 2.516,88 52.456,89 21.503,90 26.414,91 31.642,92 0.235,93 2.072,94 43.252,95 17.748,96 21.617,97 26.112,98 0.205,99 1.717,100 36.369,101 14.624,102 18.541,103 21.685,104 55,105 48,106 0.18,107 0.397,108 0.679,109 0.78,110 0.822,111 0.836,112 3.341,113 1.143,114 -6.23,115 -6.07,116 -5.64,121 36.2,122 3,123 7,124 3,125 2,126 4,129 2,137 2,138 2,176 20,180 4,187 34,192 4,200 38,206 6,214 31,219 5,227 20,232 4,239 15,244 4,251 8,256 5,264 3,269 5,277 2,281 933,282 17.426,283 17.426,284 17.426,285 17.426,286 17.426,287 17.011,288 30.496,289 9.438,290 17.65,291 14.665,292 14.665,293 14.665,294 14.665,295 14.665,296 13.942,297 55.706,298 4.311,299 14.989,300 4.994,301 3.641,302 1.895,303 1.265,304 1.004,305 0.917,306 4.027,311 1,312 1,313 568,314 4.243,317 42.13,318 136.107,321 69.076,322 150.637,325 1.674,326 10.546,329 0.75,330 0.83,331 1,332 1,333 0.5,334 1,335 1,336 0.87,337 55,338 265,339 4.792,340 3.952,341 7.966,342 4.721,343 3.722,344 3.935,345 0.916,346 15.077,347 3.719,348 4.605,349 3.761,350 7.828,351 4.531,352 3.533,353 3.748,354 0.8,355 14.45,356 3.528,357 3.812,358 3.058,359 6.4,360 3.708,361 2.745,362 2.865,363 0.68,364 9.386,365 2.653,366 3.681,367 2.953,368 6.012,369 3.596,370 2.648,371 2.708,372 0.68,373 8.268,374 2.511,375 3.371,376 2.553,377 5.876,378 3.305,379 2.327,380 2.385,381 0.172,382 7.737,383 2.268,384 3.182,385 2.188,386 5.38,387 2.934,388 1.94,389 2.213,391 5.881,392 1.927,393 2.853,394 1.883,395 4.88,396 2.629,397 1.638,398 1.83,400 4.528,401 1.623,402 2.538,403 1.663,404 4.655,405 2.464,406 1.49,407 1.532,409 4.339,410 1.447,411 2.27,412 1.57,413 4.007,414 2.216,415 1.261,416 1.267,418 2.974,419 1.201,420 2.224,421 1.253,422 3.832,423 2.063,424 1.068,425 1.164,427 2.743,428 1.062,429 1.757,430 0.904,431 3.524,432 1.7,433 0.712,434 0.729,436 1.681,437 0.702,438 1.569,439 0.604,440 3.315,441 1.481,442 0.496,443 0.516,445 1.218,446 0.488,447 1.05,448 0.106,449 3.166,450 0.95,451 -0.042,452 -0.043,454 -0.106,455 -0.041,456 0.857,457 -0.051,458 2.934,459 0.798,460 -0.2,461 -0.208,463 -0.566,464 -0.2,465 0.566,466 -0.297,467 2.755,468 0.507,469 -0.489,470 -0.509,472 -1.339,473 -0.487,474 13.3,475 0.493,476 1.077,477 0.04,478 18.5,479 0.685,480 2,481 0.074,482 16.5,483 0.611,484 44.389,485 1.644,486 32.3,487 0.468,488 8.817,489 0.327,490 2.2,491 0.081,492 10.481,493 0.388,494 0.263,495 0.075,496 0.323,501 1.091,502 1.508,503 1.176,504 1.332,505 1.529,506 1.271,507 1.755,508 0.899,509 1.027,510 0.868,511 0.863,512 0.905,513 1.06,514 1.231,515 1.232,516 1.256,517 1.066,518 1.253,519 0.822,520 1.238,521 1.185,522 1.259,523 1.119,524 1.243,525 0.803,526 0.959,527 0.954,528 0.978,529 0.808,530 0.974,531 0.889,532 0.933,533 0.951,534 0.952,535 0.932,536 0.954,537 0.859,538 1.004,539 0.995,540 1.018,541 1.041,542 1.014,543 0.761,544 0.869,545 0.816,546 0.847,547 0.753,548 0.836,549 8,550 0.114,551 6.222,552 3.444,553 2.841,554 1.486,555 0.864,556 0.53,557 0.375,558 0.238,559 7573,560 9997,561 2.014,562 60.9,563 20,564 16,569 6,572 1.703,573 1.8,574 3.234,575 -0.916,582 76.914,583 1.115,584 2.467,585 4.213,586 4.844,587 5.104,588 5.191,589 2.756,590 4.533,591 4.72,592 3.386,593 1188.49,594 8.212,595 14141.7,600 421.488,601 1.84,602 4.627,603 0.267,604 0.009,605 0.13,606 0.062,607 0.057,608 0.036,609 0.026,610 0.021,611 0.018,612 0.013,613 0.638,614 0.67,615 0.88,616 1.135,617 130.269,618 0.169,619 -0.135,620 0.087,621 -0.021,622 -0.187,623 0.02,624 -0.122,625 0.325,626 0.143,627 0.259,628 0.074,629 0.221,630 -0.111,631 -0.036,632 -0.105,633 -0.074,634 -0.054,635 -0.087,636 -0.058,637 -0.178,638 -0.156,639 -0.179,640 -0.128,641 -0.174,642 0.001,643 -0.022,644 -0.008,645 -0.015,646 0.036,647 -0.013,648 -0.017,649 -0.002,650 -0.007,651 -0.004,652 -0.009,653 -0.005,654 -0.016,655 -0.073,656 -0.051,657 -0.066,658 -0.091,659 -0.061,660 0.093,661 0.007,662 0.091,663 0.055,664 0.114,665 0.069,666 0.802,667 0.699,668 0.63,669 23.663,670 0.969,671 1.135,672 4.999,673 24.987,674 0.612,675 3.434,676 3.892,677 4.263,678 4.564,679 4.86,680 5.088,681 5.303,682 5.501,683 5.656,684 5.74,685 5.682,686 0.545,687 370.69,688 3.434,689 5.056,690 5.974,691 6.925,692 7.866,693 8.823,694 9.773,695 10.734,696 11.688,697 12.652,698 2.9,701 2,741 69,743 2,745 30,747 72,748 25,756 4,757 10,763 3,764 2,766 2,767 8,768 3,770 9,772 4,773 21,774 3,777 2,784 2,786 2,793 42,794 2,796 2,802 2,808 0.25,828 1,829 3,832 1,833 2,849 2,850 2,855 2,859 1,864 7,868 27,876 7,880 5,881 2,882 2,901 15,902 14.233,903 5.639,904 4.6,907 0.692,908 1.086,909 0.911,910 4.914,911 8.747,912 3.497,913 4.007,914 4.466,915 4.836,916 5.182,917 5.464,918 5.733,919 5.976,920 6.207,921 6.368,922 0.857,923 56,924 10.127,926 4.349,927 0.026,929 7.167,931 21.162,933 19.414,936 1.667,937 45,938 0.001,941 494.386,942 103.126,943 6.249,948 103.126,949 494.386,950 6.249,951 60.061,952 17.742,953 18.952,955 12.62,957 494.386,959 494.386,960 109.375,964 423.76,965 70.627,968 50.466,969 39.957,970 18.952,972 494.386,973 6.249,974 103.126,977 494.386,978 24.113,979 85.262,982 494.386,983 6.249,984 103.126,986 0.62,987 0.383,988 0.192,989 0.106,990 27,991 13,992 0.042,993 3,994 3,995 1.353,996 3.553,997 257.81,998 0.353,999 17,1000 122.382,1005 19.707,1006 6.732,1007 2.888,1009 6.249,1018 603.761,1019 32,1026 5.36,1028 3.668,1031 66.876,1032 78.301,1034 0.182,1035 0.404,1036 0.69,1037 0.793,1038 0.836,1039 0.85,1040 4.89,1041 1.49,1042 6.075,1043 4.528,1044 4.575,1045 4.691,1046 1.67,1047 7.091,1048 4.542,1049 6.116,1050 1.261,1051 7.786,1052 4.339,1053 4.635,1054 4.745,1055 0.57,1056 8.662,1057 4.591,1058 7.487,1059 1.068,1060 9.616,1061 2.974,1062 6.444,1063 6.686,1064 1.186,1065 11.806,1066 6.4,1067 8.892,1068 0.712,1069 11.517,1070 2.743,1071 7.287,1072 7.518,1073 0.581,1074 14.157,1075 7.242,1076 10.336,1077 0.496,1078 13.465,1079 1.681,1080 8.703,1081 9.054,1082 0.863,1083 16.963,1084 8.66,1085 11.805,1086 -0.042,1087 15.444,1088 1.218,1089 9.833,1090 10.194,1091 0.515,1092 19.554,1093 9.795,1094 13.293,1095 -0.2,1096 17.445,1097 -0.106,1098 11.147,1099 11.604,1100 0.642,1101 22.279,1102 11.112,1103 3.722,1104 -0.489,1105 19.462,1106 -0.566,1107 12.38,1108 12.869,1109 0.441,1110 24.942,1111 12.349,1112 3.533,1113 15.077,1114 21.491,1115 -1.339,1116 13.671,1117 14.239,1118 0.491,1119 27.647,1120 13.643,1121 2.745,1122 14.45,1123 23.529,1124 3.935,1125 14.942,1126 15.554,1127 0.373,1128 30.333,1129 14.916,1130 2.648,1131 9.386,1132 25.574,1133 3.748,1134 16.232,1135 16.911,1136 0.385,1137 33.033,1138 16.208,1139 2.327,1140 8.268,1141 27.624,1142 2.865,1143 17.517,1144 18.248,1145 0.314,1146 35.726,1147 17.495,1148 1.94,1149 7.737,1150 29.678,1151 2.708,1152 18.81,1153 19.603,1154 0.309,1155 38.425,1156 18.789,1157 1.638,1158 5.881,1159 31.735,1160 2.385,1161 20.103,1162 20.949,1163 0.264,1164 41.122,1165 20.082,1166 7444,1167 8564,1168 18.898,1169 42.239,1170 47.708,1171 47.503,1172 50.551,1173 47.18,1174 47.16,1175 49.784,1176 6.498,1177 156.567,1178 46.262,1179 5.792,1180 5.915,1181 7.223,1182 5.721,1183 5.722,1184 6.448,1185 1.605,1186 23.861,1187 5.719,1188 17.387,1189 1.59,1190 1.583,1191 1.685,1192 1.573,1193 1.572,1194 1.659,1195 0.217,1196 5.219,1197 1.542,1198 4.123,1199 4.16,1200 4.039,1201 4.058,1202 4.622,1203 4.049,1204 3.91,1205 3.956,1206 3.82,1207 3.829,1208 4.466,1209 3.821,1210 3.674,1211 3.751,1212 3.539,1213 3.506,1214 4.302,1215 3.503,1216 3.541,1217 3.626,1218 3.391,1219 3.343,1220 4.191,1221 3.342,1222 3.411,1223 3.485,1224 3.232,1225 3.283,1226 3.874,1227 3.262,1228 3.344,1229 3.429,1230 3.146,1231 3.163,1232 3.839,1233 3.148,1234 3.181,1235 3.271,1236 2.99,1237 3.036,1238 3.771,1239 3.015,1240 3.166,1241 3.264,1242 2.904,1243 2.963,1244 3.751,1245 2.934,1246 0.16,1247 0.132,1248 0.266,1249 0.157,1250 0.124,1251 4.792,1252 0.131,1253 3.952,1254 0.031,1255 7.966,1256 0.503,1257 4.721,1258 0.124,1259 3.722,1260 3.935,1261 0.916,1262 15.077,1263 3.719,1264 2.054,1265 2.021,1266 2.199,1267 2.146,1268 1.636,1269 2.166,1270 1.832,1271 1.787,1272 2.017,1273 1.976,1274 1.406,1275 1.993,1276 1.719,1277 1.663,1278 1.93,1279 1.894,1280 1.258,1281 1.91,1282 1.511,1283 1.434,1284 1.788,1285 1.732,1286 1.071,1287 1.757,1288 1.463,1289 1.389,1290 1.743,1291 1.661,1292 0.955,1293 1.694,1294 1.382,1295 1.305,1296 1.683,1297 1.579,1298 0.881,1299 1.62,1300 1.27,1301 1.186,1302 1.598,1303 1.476,1304 0.794,1305 1.523,1306 1.189,1307 1.089,1308 1.576,1309 1.435,1310 0.686,1311 1.489,1312 4.111,1314 5.533,1315 2.398,1316 7.168,1317 4.844,1318 8.903,1319 7.066,1320 10.694,1322 16.71,1328 9.617,1332 3.868,1333 4.869,1334 0.909,1340 37.579,1341 76.914,1342 170.247,1343 290.72,1344 334.204,1345 352.204,1346 358.204,1347 45.023,1348 8.055,1349 6.48,1350 6.48,1351 23,1352 13.134,1353 1.585,1354 1.585,1355 40.145,1356 93,1357 93,1358 0.227,1359 228.739,1360 408.34,1361 549.884,1362 31999,1364 19.56,1365 0.724,1366 0.699,1367 19.56,1368 18.886,1369 12.681,1370 0.423,1371 0.381,1372 11.351,1373 12.446,1374 10.718,1375 8.956,1376 12.681,1377 11.428,1378 12.767,1379 0.266,1380 0.231,1381 12.767,1382 11.093,1383 11.409,1384 0.163,1385 0.137,1386 11.409,1387 9.619,1388 9.266,1389 0.098,1390 0.08,1391 9.266,1392 7.573,1393 7.646,1394 0.06,1395 0.047,1396 7.646,1397 5.964,1398 0.344,1399 77.575,1400 0.23,1401 25.133,1402 0.664,1403 156,1404 219.29,1405 159.497,1406 224.194,1407 323.4,1408 212,1409 196,1410 249.521,1411 200.33,1412 266.092,1413 392.11,1414 246,1415 4.616}
{0 CHEMBL496946,1 1.451,2 13.676,3 4.024,4 16.191,5 132.071,6 7.3,7 0.579,8 4.216,9 4.34,10 3.767,11 3.815,12 5.297,13 3.781,14 4.753,15 4.916,16 4.132,17 4.232,18 5.801,19 4.169,20 5.075,21 5.288,22 4.229,23 4.379,24 6.137,25 4.292,26 5.097,27 5.325,28 4.141,29 4.33,30 6.118,31 4.236,32 5.049,33 5.274,34 4.137,35 4.287,36 6.167,37 4.195,38 5.073,39 5.301,40 4.068,41 4.233,42 6.199,43 4.133,44 5.037,45 5.284,46 3.894,47 4.118,48 6.105,49 4.006,50 4.897,51 5.167,52 3.801,53 3.966,54 5.936,55 3.862,56 0.052,57 0.891,58 12.662,59 5.623,60 10.105,61 7.474,62 0.185,63 1.466,64 23.11,65 9.932,66 25.346,67 13.563,68 0.427,69 1.928,70 34.986,71 13.264,72 66.352,73 18.321,74 0.401,75 1.948,76 36.692,77 12.937,78 60.005,79 17.895,80 0.403,81 1.846,82 34.572,83 12.601,84 74.571,85 17.649,86 0.447,87 1.814,88 36.363,89 13.101,90 82.538,91 17.878,92 0.454,93 1.727,94 36.25,95 12.143,96 79.926,97 16.601,98 0.311,99 1.493,100 31.925,101 10.766,102 57.852,103 15.212,104 10,105 53,106 0.23,107 0.561,108 0.721,109 0.84,110 0.886,111 0.904,112 3.56,113 0.931,114 -3.9,115 -3.86,116 -3.66,121 45.2,123 5,127 1,129 1,144 11,145 5,146 1,148 2,160 2,165 1,166 1,167 1,176 20,180 4,183 2,185 3,187 25,189 1,192 5,194 1,195 2,196 2,197 4,199 1,200 20,203 1,206 5,209 1,211 7,214 14,216 2,218 1,219 4,222 1,224 8,227 12,229 2,231 1,232 7,234 1,235 1,236 1,237 7,238 1,239 7,241 2,244 7,247 1,249 9,251 2,253 2,256 6,261 9,264 2,266 3,268 1,269 7,274 5,277 4,279 2,281 2032,282 23.292,283 23.292,284 23.292,285 23.292,286 23.292,287 20.453,288 18.089,289 13.846,290 23.413,291 18.791,292 18.791,293 18.791,294 18.791,295 18.791,296 14.351,297 15.5,298 6.611,299 18.975,300 4.503,301 2.415,302 1.412,303 0.657,304 0.367,305 0.258,306 4.271,312 1,313 1039,314 4.123,318 437.627,322 443.324,325 2.087,326 32.453,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 72,338 465,339 4.645,340 3.735,341 6.836,342 4.214,343 3.234,344 4.566,345 1.984,346 11.38,347 3.168,348 4.409,349 3.597,350 6.188,351 3.94,352 2.941,353 4.336,354 1.924,355 9.247,356 2.938,357 3.944,358 3.305,359 5.982,360 3.722,361 2.726,362 3.441,363 0.349,364 8.37,365 2.707,366 3.915,367 2.966,368 5.912,369 3.524,370 2.532,371 3.181,372 0.148,373 8.147,374 2.512,375 3.696,376 2.663,377 5.441,378 3.379,379 2.39,380 3,382 6.991,383 2.357,384 3.569,385 2.52,386 5.216,387 3.185,388 2.187,389 2.908,391 6.472,392 2.181,393 3.383,394 2.276,395 4.938,396 2.973,397 1.986,398 2.634,400 5.677,401 1.949,402 3.118,403 1.841,404 4.416,405 2.618,406 1.618,407 2.427,409 4.37,410 1.618,411 2.935,412 1.618,413 4.116,414 2.509,415 1.519,416 2.138,418 3.329,419 1.503,420 2.902,421 1.594,422 3.943,423 2.425,424 1.426,425 2.091,427 3.317,428 1.423,429 2.586,430 1.444,431 3.796,432 2.345,433 1.347,434 1.614,436 3.174,437 1.343,438 2.487,439 1.438,440 3.61,441 2.242,442 1.247,443 1.486,445 2.933,446 1.24,447 2.457,448 1.409,449 3.594,450 2.212,451 1.239,452 1.405,454 2.902,455 1.197,456 2.167,457 1.35,458 3.505,459 1.799,460 0.814,461 1.016,463 2.065,464 0.799,465 1.996,466 1.081,467 3.173,468 1.688,469 0.69,470 0.926,472 1.596,473 0.688,474 16.267,475 0.478,476 0.763,477 0.022,478 44.75,479 1.316,480 23.5,481 0.691,482 21.25,483 0.625,484 29.614,485 0.871,486 35.333,487 0.57,488 35.163,489 1.034,490 8.596,491 0.253,492 7.985,493 0.235,494 0.066,496 0.338,501 0.75,502 1.072,503 0.816,504 0.928,505 0.63,506 0.878,507 0.564,508 1.163,509 0.886,510 1.079,511 0.562,512 1.029,513 0.938,514 1.005,515 0.972,516 0.976,517 0.949,518 0.979,519 1.314,520 1.018,521 1.099,522 0.972,523 1.207,524 0.998,525 0.936,526 1.097,527 1.004,528 1.069,529 0.851,530 1.038,531 1.311,532 1.11,533 1.079,534 1.109,535 1.427,536 1.08,537 1.674,538 1.033,539 1.172,540 1.011,541 1.748,542 1.032,543 1.296,544 0.959,545 0.893,546 0.882,547 1.262,548 0.842,549 6,550 0.202,551 3.778,552 2,553 2.276,554 1.056,555 0.607,556 0.479,557 0.349,558 0.286,559 19268,560 44278,561 2.145,562 45.2,563 6,564 14,567 4,568 2,569 2,572 1.756,573 2.04,574 3.682,575 1.458,582 89.948,583 1.451,584 3.539,585 4.542,586 5.297,587 5.587,588 5.696,589 3.06,590 4.676,591 5.065,592 3.919,593 2198.36,594 8.856,595 34894.4,597 1,600 369.16,601 1.286,602 5.033,603 0.158,604 0.007,605 0.071,606 0.036,607 0.046,608 0.022,609 0.014,610 0.013,611 0.01,612 0.008,613 0.384,614 0.17,615 0.88,616 0.459,617 184.614,618 -0.071,619 0.07,620 0.03,621 0.085,622 -0.06,623 0.076,624 0.136,625 -0.088,627 -0.068,628 0.042,629 -0.056,630 0.071,631 0.023,632 -0.005,634 0.012,635 -0.014,636 -0.15,637 0.012,638 -0.103,639 -0.018,640 -0.121,641 -0.048,642 0.118,643 -0.077,644 -0.021,645 -0.104,646 0.159,647 -0.077,648 0.036,649 -0.137,650 -0.061,651 -0.142,652 0.018,653 -0.121,654 -0.176,655 -0.064,656 -0.119,657 -0.066,658 -0.164,659 -0.084,660 -0.033,661 -0.009,662 0.161,663 0.071,664 0.025,665 0.132,666 2.066,667 5.787,668 0.706,669 34.221,670 0.995,671 1.119,672 2.673,673 7.146,674 0.679,675 3.664,676 3.989,677 4.277,678 4.554,679 4.844,680 4.89,681 5.004,682 5.13,683 5.182,684 5.017,685 8.206,686 0.643,687 452.6,688 3.664,689 5.209,690 6.066,691 6.946,692 7.821,693 8.707,694 9.589,695 10.478,696 11.364,697 12.255,698 6.5,699 1,705 2,708 1,714 4,715 11,716 1,720 4,722 22,741 62,743 24,744 3,745 38,747 66,748 28,749 19,750 5,751 11,756 5,757 9,767 4,770 6,772 21,773 7,777 2,782 2,786 2,793 28,794 6,795 4,796 6,802 4,808 0.4,809 2,822 1,829 5,833 3,843 2,851 1,859 2,868 34,869 1,876 6,877 2,880 1,893 3.2,896 2,901 16.667,902 10.867,903 7.417,904 3.864,907 4.408,908 1.531,909 1.026,910 6.463,911 12.71,912 3.951,913 4.575,914 5.186,915 5.802,916 6.434,917 6.729,918 7.103,919 7.479,920 7.778,921 7.514,922 0.889,923 56,924 12.667,926 5.53,927 0.026,929 7.706,931 24.387,933 20.689,936 2.206,937 75,941 282.506,942 150.174,943 85.704,945 50.29,948 150.174,949 332.796,950 85.704,952 83.697,953 104.239,954 76.485,955 21.748,957 282.506,959 282.506,960 235.878,961 50.29,964 258.964,965 73.832,968 88.598,969 130.495,970 16.786,972 282.506,973 135.994,974 150.174,977 282.506,978 45.935,979 104.239,980 36.022,981 99.973,982 282.506,983 135.994,984 150.174,986 0.58,987 0.342,988 0.188,989 0.111,990 26,991 11,992 0.091,993 6,994 3,995 1.25,996 4.577,997 319.306,998 0.25,999 24,1000 172.974,1005 22.368,1006 9.824,1007 4.929,1008 4.058,1009 135.994,1010 21.977,1011 4.802,1015 3.972,1017 68.919,1018 568.675,1019 51,1024 25.373,1028 -0.611,1031 61.665,1032 69.394,1034 0.244,1035 0.594,1036 0.763,1037 0.89,1038 0.938,1039 0.957,1040 5.185,1041 1.618,1042 6.043,1043 5.677,1044 4.673,1045 5.263,1046 2.652,1047 6.851,1048 4.652,1049 6.392,1050 1.519,1051 7.596,1052 4.37,1053 4.205,1054 5.112,1055 2.179,1056 7.735,1057 4.183,1058 7.704,1059 1.426,1060 9.252,1061 3.329,1062 6.26,1063 7.519,1064 3.691,1065 10.86,1066 6.215,1067 9.052,1068 1.347,1069 10.968,1070 3.317,1071 6.621,1072 8.216,1073 3.785,1074 12.598,1075 6.571,1076 10.433,1077 1.247,1078 12.724,1079 3.174,1080 8.13,1081 10.101,1082 4.89,1083 15.239,1084 8.06,1085 11.839,1086 1.239,1087 14.509,1088 2.933,1089 8.891,1090 11.211,1091 5.247,1092 17.347,1093 8.809,1094 13.265,1095 0.814,1096 16.313,1097 2.902,1098 10.173,1099 12.878,1100 6.157,1101 19.829,1102 10.074,1103 3.234,1104 0.69,1105 18.134,1106 2.065,1107 11.131,1108 14.193,1109 6.653,1110 22.105,1111 11.015,1112 2.941,1113 11.38,1114 19.967,1115 1.596,1116 12.32,1117 15.764,1118 7.458,1119 24.538,1120 12.188,1121 2.726,1122 9.247,1123 21.81,1124 4.566,1125 13.375,1126 17.179,1127 8.032,1128 26.893,1129 13.223,1130 2.532,1131 8.37,1132 23.662,1133 4.336,1134 14.53,1135 18.709,1136 8.779,1137 29.314,1138 14.36,1139 2.39,1140 8.147,1141 25.522,1142 3.441,1143 15.633,1144 20.171,1145 9.396,1146 31.705,1147 15.442,1148 2.187,1149 6.991,1150 27.388,1151 3.181,1152 16.779,1153 21.684,1154 10.11,1155 34.126,1156 16.569,1157 1.986,1158 6.472,1159 29.26,1160 3,1161 17.907,1162 23.168,1163 10.752,1164 36.536,1165 17.675,1166 17649,1167 26904,1168 25.948,1169 42.069,1170 56.991,1171 58.847,1172 58.134,1173 56.546,1174 56.567,1175 75.277,1176 8.812,1177 161.73,1178 56.009,1179 5.598,1180 5.735,1181 6.523,1182 5.255,1183 5.234,1184 7.566,1185 3.474,1186 18.912,1187 5.168,1188 13.098,1189 1.5,1190 1.549,1191 1.53,1192 1.488,1193 1.489,1194 1.981,1195 0.232,1196 4.256,1197 1.474,1198 4.125,1199 4.153,1200 4.083,1201 4.065,1202 7.433,1203 4.064,1204 4.076,1205 4.099,1206 4.03,1207 4.025,1208 7.424,1209 4.026,1210 3.75,1211 3.798,1212 3.674,1213 3.651,1214 5,1215 3.637,1216 3.731,1217 3.78,1218 3.616,1219 3.577,1220 4.963,1221 3.587,1222 3.568,1223 3.616,1224 3.479,1225 3.391,1226 4.882,1227 3.408,1228 3.401,1229 3.446,1230 3.316,1231 3.24,1232 4.407,1233 3.251,1234 3.232,1235 3.296,1236 3.106,1237 3.099,1238 4.315,1239 3.094,1240 3.131,1241 3.211,1242 2.999,1243 2.968,1244 4.128,1245 2.964,1246 0.122,1247 0.098,1248 0.18,1249 0.111,1250 0.085,1251 4.645,1252 0.12,1253 3.735,1254 0.052,1255 6.836,1256 0.299,1257 4.214,1258 0.083,1259 3.234,1260 4.566,1261 1.984,1262 11.38,1263 3.168,1264 2.08,1265 2.061,1266 2.168,1267 2.162,1268 1.432,1269 2.161,1270 2.071,1271 2.046,1272 2.156,1273 2.135,1274 1.328,1275 2.147,1276 1.754,1277 1.709,1278 1.949,1279 1.898,1280 1.147,1281 1.902,1282 1.684,1283 1.64,1284 1.852,1285 1.872,1286 1.054,1287 1.881,1288 1.513,1289 1.466,1290 1.694,1291 1.726,1292 0.835,1293 1.72,1294 1.358,1295 1.312,1296 1.55,1297 1.545,1298 0.753,1299 1.55,1300 1.226,1301 1.171,1302 1.462,1303 1.407,1304 0.623,1305 1.423,1306 1.131,1307 1.055,1308 1.422,1309 1.347,1310 0.603,1311 1.381,1312 4.344,1314 5.666,1316 7.194,1318 8.818,1320 10.495,1326 6.146,1328 4.277,1329 5.739,1332 -0.733,1340 39.837,1341 89.948,1342 219.437,1343 281.597,1344 328.405,1345 346.405,1346 353.16,1347 63.815,1348 8.302,1349 97.11,1350 97.11,1351 30,1352 12.785,1353 4.644,1354 3.807,1355 50.282,1356 172,1357 160,1358 0.14,1359 242.43,1360 417.46,1361 583.289,1362 60338,1364 23.493,1365 0.691,1366 0.559,1367 23.493,1368 19.012,1369 16.581,1370 0.436,1371 0.31,1372 11.705,1373 16.221,1374 11.47,1375 9.469,1376 16.581,1377 11.796,1378 14.909,1379 0.281,1380 0.168,1381 14.909,1382 8.894,1383 12.755,1384 0.18,1385 0.091,1386 12.755,1387 6.463,1388 10.598,1389 0.113,1390 0.05,1391 10.598,1392 4.71,1393 9.285,1394 0.074,1395 0.028,1396 9.285,1397 3.495,1398 0.226,1399 102.197,1400 0.196,1401 31.882,1402 0.366,1403 182,1404 463.094,1405 193.284,1406 458.908,1407 633.72,1408 430,1409 215,1410 468.667,1411 226.148,1412 478.645,1413 701.25,1414 454,1415 4.951}
{0 CHEMBL497276,1 1.54,2 7.174,3 0.29,4 0.084,5 82.14,6 7.556,7 0.222,8 3.904,9 3.989,10 3.491,11 3.379,12 4.946,13 3.396,14 4.529,15 4.66,16 3.939,17 3.867,18 5.538,19 3.872,20 4.788,21 4.937,22 4.071,23 4.095,24 5.833,25 4.054,26 4.987,27 5.182,28 4.075,29 4.149,30 6.043,31 4.082,32 4.988,33 5.212,34 3.89,35 4.015,36 5.973,37 3.934,38 4.799,39 5.022,40 3.668,41 3.786,42 5.786,43 3.701,44 4.553,45 4.798,46 3.371,47 3.433,48 5.517,49 3.355,50 4.13,51 4.362,52 2.785,53 2.978,54 5.129,55 2.856,56 0.12,57 0.588,58 9.086,59 4.268,60 15.182,61 5.003,62 0.512,63 1.035,64 19.339,65 7.246,66 35.055,67 8.755,68 0.564,69 1.33,70 24.92,71 10.239,72 52.876,73 12.927,74 0.739,75 1.525,76 32.874,77 11.99,78 75.183,79 15.886,80 0.854,81 1.417,82 35.283,83 11.406,84 76.358,85 15.319,86 0.789,87 1.138,88 29.536,89 9.408,90 67.859,91 12.598,92 0.724,93 0.852,94 24.035,95 6.858,96 48.872,97 9.509,98 0.561,99 0.53,100 15.786,101 4.632,102 40.973,103 6.257,104 11,105 42,106 0.273,107 0.643,108 0.843,109 0.885,110 0.902,111 0.91,112 3.192,113 0.882,114 -2.01,115 -2.06,116 -2.05,121 40.5,124 1,126 1,127 2,128 1,129 4,137 1,138 1,144 2,145 2,146 2,176 5,179 1,180 6,185 2,187 5,192 8,195 2,197 2,200 4,206 6,209 2,210 1,211 4,214 4,218 2,219 3,224 3,227 3,231 1,232 2,235 1,237 2,243 1,244 3,247 1,249 1,255 1,259 1,272 1,281 580,282 15.886,283 15.886,284 15.886,285 15.886,286 15.886,287 14.951,288 24.317,289 8.818,290 16.343,291 13.249,292 13.249,293 13.249,294 13.249,295 13.249,296 11.678,297 32.366,298 4.068,299 13.938,300 3.853,301 1.763,302 0.637,303 0.399,304 0.304,305 0.256,306 3.904,311 1,312 1,313 376,314 2.55,317 57.35,318 88.638,321 141.144,322 98.708,323 57.005,325 0.994,326 31.436,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 51.5,338 165,339 4.603,340 3.817,341 7.231,342 4.432,343 3.459,344 4.137,345 1.392,346 12.801,347 3.363,348 4.3,349 3.362,350 6.48,351 3.966,352 3.003,353 3.612,354 1.168,355 10.084,356 2.891,357 3.846,358 3.114,359 6.243,360 3.62,361 2.69,362 3.161,363 0.928,364 9.123,365 2.495,366 3.712,367 2.992,368 6.103,369 3.536,370 2.573,371 2.75,372 0.86,373 8.767,374 2.462,375 3.278,376 2.45,377 5.617,378 3.076,379 2.105,380 2.4,381 0.532,382 7.037,383 2.036,384 3.097,385 2.354,386 5.257,387 2.837,388 1.896,389 2.185,390 0.359,391 6.132,392 1.778,393 2.737,394 1.995,395 4.581,396 2.463,397 1.527,398 1.755,399 0.265,400 4.573,401 1.42,402 2.268,403 1.746,404 4.035,405 2.109,406 1.115,407 1.198,409 2.696,410 1.108,411 2.204,412 1.619,413 3.858,414 2.006,415 1.042,416 1.164,418 2.462,419 0.999,420 1.922,421 1.483,422 3.625,423 1.738,424 0.862,425 0.891,427 2.236,428 0.746,429 1.811,430 1.283,431 3.451,432 1.621,433 0.729,434 0.775,436 1.609,437 0.645,438 1.233,439 0.545,440 3.128,441 1.063,442 0.123,443 0.134,445 0.332,446 0.114,447 0.976,448 0.419,449 2.857,450 0.764,451 -0.169,452 -0.179,454 -0.338,455 -0.153,456 0.712,457 0.104,458 2.597,459 0.52,460 -0.368,461 -0.395,463 -0.894,464 -0.326,465 0.527,466 -0.212,467 2.48,468 0.293,469 -0.681,470 -0.758,472 -1.849,473 -0.661,474 10.567,475 0.459,476 0.658,477 0.029,478 24.25,479 1.054,480 8,481 0.348,482 16.25,483 0.707,484 22.505,485 0.978,486 26.033,487 0.62,488 17.421,489 0.757,490 4.761,491 0.207,492 6.425,493 0.279,494 0.11,496 0.511,501 0.935,502 1.3,503 0.761,504 1.139,505 0.976,506 0.945,507 1.155,508 0.937,509 0.931,510 0.83,511 0.922,512 0.811,513 0.783,514 1.213,515 0.967,516 1.183,517 0.87,518 1.133,519 0.816,520 1.126,521 0.978,522 1.133,523 0.95,524 1.104,525 1.052,526 0.952,527 1.038,528 0.989,529 1.318,530 1.007,531 1.081,532 1.009,533 1.057,534 1.023,535 1.128,536 1.038,537 1.061,538 0.847,539 0.983,540 0.892,541 0.737,542 0.905,543 1.131,544 0.95,545 1.196,546 1.031,547 1.018,548 1.122,549 4,551 3.111,552 2.257,553 2.377,554 0.959,555 0.677,556 0.28,557 0.131,558 0.049,559 5093,560 13541,561 2.218,562 45.2,564 14,565 2,567 2,570 1,572 1.667,573 2.06,574 2.86,575 0.321,577 1,582 64.67,583 1.54,584 3.629,585 4.755,586 4.993,587 5.089,588 5.136,589 2.225,590 4.35,591 4.499,592 2.946,593 745.392,594 7.793,595 7816.69,597 1,600 226.477,601 1.422,602 4.453,603 0.148,605 0.074,606 0.049,607 0.054,608 0.027,609 0.025,610 0.015,611 0.015,612 0.012,613 0.419,614 0.5,615 0.88,616 0.777,617 102.392,618 -0.103,619 -0.109,620 0.058,621 -0.014,622 -0.142,623 0.049,624 -0.144,625 0.197,626 -0.025,627 0.202,628 -0.114,629 0.139,630 0.032,631 -0.127,632 -0.09,633 -0.121,634 0.032,635 -0.134,636 0.026,637 -0.11,638 -0.044,639 -0.129,640 0.071,641 -0.111,642 -0.081,643 -0.006,644 -0.042,645 -0.037,646 -0.129,647 -0.031,648 -0.044,649 -0.096,650 -0.044,651 -0.074,652 -0.078,653 -0.066,654 0.038,655 0.045,656 0.074,657 0.007,658 0.076,659 0.049,660 0.065,661 -0.107,662 -0.132,663 -0.118,664 0.004,665 -0.168,666 2.1,667 4.882,668 0.826,669 13.202,670 1.016,671 1.126,672 0.778,673 0.605,674 0.646,675 3.332,676 3.761,677 4.19,678 4.585,679 4.898,680 5.159,681 5.416,682 5.649,683 5.787,684 5.9,685 4.442,686 0.627,687 317.37,688 3.332,689 4.934,690 5.866,691 6.815,692 7.762,693 8.716,694 9.668,695 10.624,696 11.58,697 12.537,698 2.4,701 1,715 2,720 4,722 6,739 2,741 42,743 7,744 1,745 27,747 46,748 17,749 6,750 4,751 2,756 5,757 18,767 4,768 1,770 4,772 8,773 9,774 1,777 1,784 1,786 1,789 1,790 1,793 19,794 6,795 2,796 6,802 1,808 0.2,809 5,811 2,828 2,829 3,832 3,833 2,834 1,849 1,850 1,855 1,857 2,858 1,859 1,864 1,868 23,875 2,876 3,878 3,880 5,881 1,893 11.9,894 2,897 1,898 2,901 11.167,902 7.517,903 4.861,904 2.4,907 1.635,908 1.198,909 0.925,910 2.982,911 9.877,912 3.466,913 4.052,914 4.637,915 5.198,916 5.709,917 6.075,918 6.473,919 6.863,920 7.136,921 7.395,922 0.8,923 46,924 8.645,926 4.054,927 0.026,929 7.761,931 16.608,933 15.177,936 2.261,937 52,941 200.109,942 70.217,943 3.124,945 118.366,948 70.217,949 318.475,950 3.124,951 10.883,952 10.862,953 113.795,954 11,955 45.168,956 23.542,957 176.567,959 200.109,960 73.341,961 118.366,964 188.338,965 33.771,966 96.367,968 13.986,969 49.879,970 9.476,972 200.109,973 121.491,974 70.217,977 200.109,978 30.905,979 42.436,981 118.366,982 200.109,983 121.491,984 70.217,986 0.603,987 0.39,988 0.23,989 0.122,990 26,991 11,992 0.022,993 1,994 5,995 1.474,996 3.37,997 219.372,998 0.526,999 18,1000 102.042,1005 14.103,1006 4.863,1007 1.79,1009 121.491,1010 4.009,1015 3.719,1017 85.367,1018 391.816,1019 31,1026 2.076,1028 0.968,1031 42.691,1032 47.282,1034 0.286,1035 0.673,1036 0.882,1037 0.926,1038 0.944,1039 0.953,1040 4.808,1041 1.115,1042 5.9,1043 4.573,1044 4.443,1045 4.736,1046 2.451,1047 6.847,1048 4.351,1049 6.007,1050 1.042,1051 7.542,1052 2.696,1053 4.205,1054 4.635,1055 0.325,1056 7.966,1057 4.074,1058 7.343,1059 0.862,1060 9.281,1061 2.462,1062 6.168,1063 6.832,1064 2.667,1065 11.16,1066 6.006,1067 8.709,1068 0.729,1069 11.077,1070 2.236,1071 6.758,1072 7.54,1073 0.604,1074 13.088,1075 6.558,1076 10.109,1077 0.123,1078 12.908,1079 1.609,1080 8.207,1081 9.254,1082 3.077,1083 15.821,1084 7.986,1085 11.531,1086 -0.169,1087 14.763,1088 0.332,1089 9.152,1090 10.312,1091 0.834,1092 18.091,1093 8.897,1094 12.969,1095 -0.368,1096 16.635,1097 -0.338,1098 10.43,1099 11.848,1100 3.589,1101 20.682,1102 10.154,1103 3.459,1104 -0.681,1105 18.521,1106 -0.894,1107 11.528,1108 13.074,1109 1.068,1110 23.104,1111 11.223,1112 3.003,1113 12.801,1114 20.419,1115 -1.849,1116 12.753,1117 14.537,1118 4.159,1119 25.653,1120 12.427,1121 2.69,1122 10.084,1123 22.325,1124 4.137,1125 13.919,1126 15.847,1127 1.328,1128 28.143,1129 13.566,1130 2.573,1131 9.123,1132 24.24,1133 3.612,1134 15.133,1135 17.279,1136 4.764,1137 30.683,1138 14.758,1139 2.105,1140 8.767,1141 26.161,1142 3.161,1143 16.33,1144 18.634,1145 1.615,1146 33.203,1147 15.93,1148 1.896,1149 7.037,1150 28.089,1151 2.75,1152 17.547,1153 20.053,1154 5.388,1155 35.744,1156 17.123,1157 1.527,1158 6.132,1159 30.023,1160 2.4,1161 18.76,1162 21.433,1163 1.925,1164 38.279,1165 18.31,1166 4708,1167 7723,1168 18.323,1169 27.131,1170 42.465,1171 43.314,1172 44.555,1173 42.265,1174 42.249,1175 48.324,1176 11.006,1177 135.704,1178 40.114,1179 5.603,1180 5.817,1181 6.737,1182 5.481,1183 5.459,1184 7.137,1185 2.783,1186 20.801,1187 5.363,1188 9.818,1189 1.573,1190 1.604,1191 1.65,1192 1.565,1193 1.565,1194 1.79,1195 0.408,1196 5.026,1197 1.486,1198 4.107,1199 4.133,1200 4.054,1201 4.013,1202 6.462,1203 4.019,1204 3.838,1205 3.849,1206 3.785,1207 3.719,1208 6.435,1209 3.73,1210 3.542,1211 3.585,1212 3.433,1213 3.33,1214 4.999,1215 3.345,1216 3.382,1217 3.404,1218 3.293,1219 3.176,1220 4.613,1221 3.202,1222 3.192,1223 3.265,1224 3.006,1225 2.956,1226 4.481,1227 2.955,1228 3.038,1229 3.087,1230 2.878,1231 2.792,1232 4.202,1233 2.789,1234 2.949,1235 3.016,1236 2.78,1237 2.746,1238 3.977,1239 2.75,1240 2.755,1241 2.824,1242 2.56,1243 2.502,1244 3.6,1245 2.502,1246 0.17,1247 0.141,1248 0.268,1249 0.164,1250 0.128,1251 4.603,1252 0.153,1253 3.817,1254 0.052,1255 7.231,1256 0.474,1257 4.432,1258 0.125,1259 3.459,1260 4.137,1261 1.392,1262 12.801,1263 3.363,1264 1.991,1265 1.971,1266 2.084,1267 2.092,1268 1.46,1269 2.091,1270 1.736,1271 1.715,1272 1.869,1273 1.88,1274 1.142,1275 1.875,1276 1.448,1277 1.395,1278 1.649,1279 1.647,1280 0.871,1281 1.649,1282 1.276,1283 1.228,1284 1.572,1285 1.543,1286 0.707,1287 1.552,1288 1.183,1289 1.146,1290 1.449,1291 1.521,1292 0.637,1293 1.489,1294 1.099,1295 1.035,1296 1.398,1297 1.381,1298 0.573,1299 1.385,1300 0.973,1301 0.91,1302 1.262,1303 1.25,1304 0.521,1305 1.251,1306 0.864,1307 0.802,1308 1.164,1309 1.098,1310 0.406,1311 1.127,1312 4.007,1314 5.407,1315 3.045,1316 7.018,1317 5.352,1318 8.736,1319 7.434,1320 10.514,1322 1.536,1327 21.425,1328 1.804,1330 16.403,1332 -2.234,1333 2.294,1340 26.337,1341 64.67,1342 152.419,1343 199.722,1344 209.722,1345 213.722,1346 215.722,1347 38.568,1348 8.242,1349 71.39,1350 71.39,1351 28,1352 13.022,1353 3,1354 2.322,1355 28.319,1356 62,1357 57,1358 0.237,1359 151.939,1360 274.35,1361 362.492,1362 40286,1364 15.715,1365 0.683,1366 0.557,1367 15.715,1368 12.807,1369 11.186,1370 0.414,1371 0.294,1372 7.765,1373 10.566,1374 7.631,1375 6.156,1376 11.186,1377 7.941,1378 10.528,1379 0.251,1380 0.158,1381 10.528,1382 6.644,1383 10.161,1384 0.156,1385 0.087,1386 10.161,1387 5.633,1388 9.452,1389 0.097,1390 0.048,1391 9.452,1392 4.617,1393 7.648,1394 0.058,1395 0.026,1396 7.648,1397 3.511,1398 0.347,1399 71.777,1400 0.234,1401 21.396,1402 0.74,1403 138,1404 403.151,1405 154.807,1406 367.048,1407 502.57,1408 348,1409 176,1410 360.556,1411 194.944,1412 361.755,1413 551.38,1414 339,1415 4.066}
{0 CHEMBL497686,1 1.395,2 8.6,3 5.714,4 32.65,5 105.257,6 7.852,7 0.643,8 3.871,9 3.967,10 3.545,11 3.584,12 4.968,13 3.513,14 4.359,15 4.492,16 3.934,17 3.992,18 5.397,19 3.887,20 4.656,21 4.822,22 4.096,23 4.175,24 5.651,25 4.038,26 4.697,27 4.903,28 3.925,29 4.121,30 5.601,31 3.96,32 4.674,33 4.884,34 3.933,35 4.115,36 5.596,37 3.974,38 4.67,39 4.866,40 3.915,41 4.123,42 5.62,43 3.984,44 4.657,45 4.859,46 3.825,47 4.055,48 5.649,49 3.909,50 4.577,51 4.818,52 3.448,53 3.834,54 5.532,55 3.669,56 0.04,57 0.516,58 8.68,59 4.153,60 8.575,61 5.269,62 0.057,63 0.886,64 16.601,65 7.452,66 12.635,67 9.319,68 0.156,69 1.27,70 26.447,71 10.487,72 25.829,73 12.564,74 0.159,75 1.334,76 28.515,77 11.329,78 26.125,79 13.889,80 0.191,81 1.269,82 26.766,83 10.983,84 27.983,85 13.942,86 0.15,87 1.246,88 25.012,89 10.485,90 25.903,91 13.287,92 0.161,93 1.223,94 27.052,95 10.954,96 26.424,97 13.582,98 0.122,99 1.108,100 23.405,101 9.956,102 29.667,103 13.108,104 5,105 39,106 0.239,107 0.533,108 0.692,109 0.844,110 0.878,111 0.878,112 3.268,113 0.992,114 -6,115 -5.86,116 -5.45,121 50,122 1,123 1,129 1,144 12,145 3,146 3,159 1,176 14,180 3,185 2,187 19,192 5,197 2,200 16,206 3,211 1,214 13,219 3,222 1,224 1,227 19,232 2,239 23,244 1,249 3,251 21,256 1,261 4,264 15,274 3,277 9,281 811,282 17.102,283 17.102,284 17.102,285 17.102,286 17.102,287 14.678,288 15.754,289 10.156,290 17.36,291 13.863,292 13.863,293 13.863,294 13.863,295 13.863,296 10.328,297 14.883,298 4.887,299 14.349,300 4.064,301 2.353,302 1.421,303 0.534,304 0.335,305 0.335,306 3.97,312 1,313 471,314 2,318 189.432,319 61.683,323 105.44,325 1.216,326 13.947,329 0.75,330 0.83,331 1,332 0.6,333 0.5,334 1,335 1,336 0.81,337 51.5,338 215,339 4.386,340 4.627,341 6.38,342 4.017,343 3.067,344 3.975,345 3.272,346 9.916,347 2.922,348 4.12,349 3.366,350 6.053,351 3.736,352 2.762,353 3.714,354 0.986,355 8.786,356 2.693,357 4.073,358 3.177,359 6.018,360 3.674,361 2.703,362 3.658,364 8.64,365 2.605,366 3.64,367 2.628,368 5.07,369 3.279,370 2.297,371 2.99,373 6.164,374 2.249,375 3.556,376 2.594,377 5.028,378 3.157,379 2.203,380 2.842,382 6.033,383 2.094,384 2.998,385 2.191,386 4.522,387 2.537,388 1.611,389 2.175,391 4.589,392 1.502,393 2.939,394 1.906,395 4.382,396 2.511,397 1.536,398 2.099,400 4.185,401 1.46,402 2.787,403 1.634,404 3.842,405 2.364,406 1.377,407 1.887,409 3.004,410 1.352,411 2.61,412 1.441,413 3.621,414 2.172,415 1.185,416 1.648,418 2.82,419 1.165,420 2.5,421 1.14,422 3.468,423 2,424 1,425 1.5,427 2.422,428 1,429 2.424,430 1,431 3.414,432 1.919,433 0.953,434 1.347,436 2.275,437 0.912,438 1.302,439 0.666,440 2.864,441 1.001,442 0.057,443 0.068,445 0.139,446 0.053,447 1.11,448 0.587,449 2.803,450 0.749,451 -0.171,452 -0.204,454 -0.49,455 -0.153,456 1.023,457 0.191,458 2.518,459 0.688,460 -0.273,461 -0.333,463 -0.635,464 -0.265,465 0.919,466 -0.057,467 2,468 0.521,469 -0.409,470 -0.514,472 -0.914,473 -0.374,474 12.567,475 0.503,476 0.571,477 0.023,478 35.75,479 1.43,480 21,481 0.84,482 14.75,483 0.59,484 19.248,485 0.77,486 24.633,487 0.56,488 23.997,489 0.96,490 6.768,491 0.271,492 5.419,493 0.217,494 0.066,496 0.318,501 0.885,502 0.88,503 0.754,504 0.785,505 0.972,506 0.806,507 0.665,508 1.058,509 0.947,510 0.993,511 0.582,512 0.941,513 1.073,514 1.153,515 1.233,516 1.144,517 0.974,518 1.038,519 0.949,520 1.073,521 1.224,522 1.117,523 0.814,524 1.047,525 0.673,526 0.907,527 0.984,528 0.938,529 0.625,530 0.896,531 0.98,532 0.954,533 1.014,534 0.969,535 0.915,536 0.992,537 0.92,538 1.066,539 1.134,540 1.169,541 0.98,542 1.08,543 0.886,544 1.065,545 0.907,546 1.052,547 0.948,548 1.088,549 5,550 0.066,551 2.667,552 1.125,553 1.397,554 0.914,555 0.372,556 0.378,557 0.297,558 0.118,559 6673,560 16067,561 2.154,562 43.2,563 3,564 13,567 1,568 2,572 1.688,573 2.055,574 3.089,575 -0.435,582 61.397,583 1.395,584 3.106,585 4.038,586 4.925,587 5.124,588 5.124,589 2.493,590 3.783,591 4.615,592 3.217,593 965.034,594 8.026,595 11380.9,600 240.215,601 1.26,602 4.592,603 0.179,604 0.013,605 0.068,606 0.027,607 0.039,608 0.023,609 0.01,610 0.011,611 0.012,612 0.009,613 0.392,614 0.67,615 0.88,616 0.477,617 117.78,618 -0.056,619 0.056,620 0.056,621 0.094,622 -0.126,623 0.067,624 0.031,625 -0.086,626 0.037,627 -0.016,628 0.063,629 -0.02,630 -0.064,631 -0.111,632 -0.058,633 -0.077,634 -0.087,635 -0.093,636 -0.076,637 -0.037,638 -0.096,639 -0.067,640 -0.058,641 -0.07,642 0.115,643 0.088,644 0.041,645 0.068,646 0.107,647 0.088,648 -0.094,649 0.029,650 -0.06,651 -0.007,652 -0.059,653 -0.034,654 0.022,655 -0.102,656 -0.103,657 -0.158,658 -0.001,659 -0.098,660 0.041,661 -0.144,662 -0.055,663 -0.129,664 0.084,665 -0.087,666 1.391,667 3.863,668 0.92,669 19.088,670 0.988,671 1.099,672 4.775,673 22.797,674 0.726,675 3.367,676 3.689,677 3.951,678 4.22,679 4.522,680 4.635,681 4.779,682 4.956,683 5.081,684 5.13,685 5.316,686 0.674,687 345.49,688 3.367,689 4.905,690 5.753,691 6.627,692 7.493,693 8.372,694 9.246,695 10.129,696 11.007,697 11.891,698 2.3,707 1,715 12,720 6,722 18,725 1,738 1,741 44,743 19,744 3,745 28,747 47,748 22,749 18,750 6,751 12,752 1,756 4,757 5,763 1,767 2,770 2,772 19,773 3,777 1,785 1,786 1,793 19,794 2,795 1,796 3,797 1,802 1,808 0.75,809 1,829 3,830 1,834 1,859 3,860 1,862 1,864 1,868 25,875 1,876 1,879 1,880 1,893 2.3,895 1,901 12.167,902 8.15,903 5.417,904 2.608,907 3.607,908 1.484,909 0.995,910 4.436,911 11.051,912 3.664,913 4.27,914 4.83,915 5.382,916 5.954,917 6.133,918 6.524,919 6.964,920 7.411,921 7.781,922 0.833,923 42,924 9.229,926 3.932,927 0.026,929 7.553,931 18.021,933 15.158,936 2.053,937 51.333,941 211.88,942 173.915,943 16.786,945 42.683,947 32.22,948 141.696,949 254.563,950 16.786,951 8.825,952 2.535,953 113.715,954 45.44,955 30.65,957 244.099,959 211.88,960 158.481,961 42.683,962 32.22,964 211.88,965 42.683,968 28.145,969 130.336,971 32.22,972 211.88,973 59.469,974 173.915,977 211.88,978 51.375,979 122.54,981 59.469,982 211.88,983 59.469,984 173.915,986 0.581,987 0.332,988 0.18,989 0.108,990 20,991 8,992 0.043,993 2,994 1,995 1.087,996 3.658,997 217.704,998 0.087,999 23,1000 112.096,1001 1,1005 16.136,1006 6.873,1007 3.532,1009 59.469,1010 24.407,1015 6.028,1017 42.683,1018 445.264,1019 38,1027 4.928,1028 1.013,1031 43.458,1032 48.365,1034 0.256,1035 0.569,1036 0.74,1037 0.902,1038 0.939,1039 0.939,1040 4.887,1041 1.377,1042 5.727,1043 4.185,1044 4.369,1045 4.956,1046 3.193,1047 6.512,1048 4.299,1049 6.091,1050 1.185,1051 7.265,1052 3.004,1053 3.892,1054 4.605,1056 7.322,1057 3.761,1058 7.386,1059 1,1060 8.899,1061 2.82,1062 5.938,1063 7.11,1064 5.448,1065 10.411,1066 5.795,1067 8.712,1068 0.953,1069 10.589,1070 2.422,1071 6.256,1072 7.531,1074 12.038,1075 6.045,1076 10.066,1077 0.057,1078 12.316,1079 2.275,1080 7.763,1081 9.503,1082 7.807,1083 14.618,1084 7.545,1085 11.439,1086 -0.171,1087 14.068,1088 0.139,1089 8.465,1090 10.312,1092 16.591,1093 8.175,1094 12.828,1095 -0.273,1096 15.837,1097 -0.49,1098 9.736,1099 12.02,1100 10.177,1101 18.978,1102 9.434,1103 3.067,1104 -0.409,1105 17.619,1106 -0.635,1107 10.631,1108 13.047,1110 21.107,1111 10.26,1112 2.762,1113 9.916,1114 19.412,1115 -0.914,1116 11.796,1117 14.608,1118 12.548,1119 23.418,1120 11.402,1121 2.703,1122 8.786,1123 21.212,1124 3.975,1125 12.789,1126 15.765,1128 25.618,1129 12.331,1130 2.297,1131 8.64,1132 23.017,1133 3.714,1134 13.909,1135 17.241,1136 14.919,1137 27.9,1138 13.42,1139 2.203,1140 6.164,1141 24.828,1142 3.658,1143 14.953,1144 18.475,1146 30.136,1147 14.404,1148 1.611,1149 6.033,1150 26.643,1151 2.99,1152 16.056,1153 19.901,1154 17.29,1155 32.409,1156 15.468,1157 1.536,1158 4.589,1159 28.46,1160 2.842,1161 17.126,1162 21.184,1164 34.664,1165 16.482,1166 6317,1167 9915,1168 19.186,1169 31.961,1170 42.205,1171 44.535,1172 42.502,1173 41.59,1174 41.502,1175 55.804,1176 8.517,1177 117.948,1178 40.017,1179 5.284,1180 6.627,1181 6.063,1182 5.145,1183 5.067,1184 6.975,1185 6.545,1186 16.502,1187 4.922,1188 9.133,1189 1.507,1190 1.591,1191 1.518,1192 1.485,1193 1.482,1194 1.993,1195 0.304,1196 4.212,1197 1.429,1198 4.029,1199 4.053,1200 4.114,1201 3.991,1202 6.471,1203 3.97,1204 3.893,1205 3.92,1206 3.838,1207 3.837,1208 4.871,1209 3.832,1210 3.838,1211 3.862,1212 3.809,1213 3.793,1214 4.719,1215 3.78,1216 3.479,1217 3.527,1218 3.478,1219 3.402,1220 4.614,1221 3.374,1222 3.187,1223 3.252,1224 3.234,1225 3.069,1226 4.28,1227 3.055,1228 2.953,1229 3.012,1230 2.949,1231 2.882,1232 3.934,1233 2.813,1234 2.924,1235 2.969,1236 2.805,1237 2.746,1238 3.679,1239 2.749,1240 2.854,1241 2.925,1242 2.692,1243 2.735,1244 3.674,1245 2.715,1246 0.157,1247 0.165,1248 0.228,1249 0.143,1250 0.11,1251 4.386,1252 0.142,1253 4.627,1254 0.117,1255 6.38,1256 0.354,1257 4.017,1258 0.104,1259 3.067,1260 3.975,1261 3.272,1262 9.916,1263 2.922,1264 1.952,1265 1.929,1266 2.062,1267 2.03,1268 1.278,1269 2.042,1270 1.919,1271 1.898,1272 2.011,1273 1.994,1274 1.113,1275 2.007,1276 1.843,1277 1.82,1278 1.947,1279 1.916,1280 1.055,1281 1.933,1282 1.505,1283 1.464,1284 1.692,1285 1.638,1286 0.93,1287 1.669,1288 1.191,1289 1.133,1290 1.483,1291 1.383,1292 0.579,1293 1.42,1294 0.982,1295 0.93,1296 1.181,1297 1.155,1298 0.32,1299 1.177,1300 0.886,1301 0.839,1302 1.169,1303 1.125,1304 0.218,1305 1.13,1306 0.883,1307 0.821,1308 1.136,1309 1.062,1310 0.198,1311 1.107,1312 4.043,1314 5.361,1316 6.87,1317 2.708,1318 8.461,1319 5.293,1320 10.091,1322 2.11,1327 9.863,1328 0.825,1331 1.862,1332 0.297,1340 29.665,1341 61.397,1342 136.666,1343 177.686,1344 216.705,1345 225.46,1346 225.46,1347 33.082,1348 7.444,1349 32.59,1350 57.89,1351 25,1352 12.425,1353 4.322,1354 3.459,1355 35.553,1356 81,1357 85,1358 0.222,1359 184.876,1360 318.92,1361 442.857,1362 16490,1364 17.225,1365 0.689,1366 0.593,1367 17.579,1368 14.832,1369 12.187,1370 0.435,1371 0.331,1372 8.428,1373 11.599,1374 8.087,1375 6.715,1376 12.595,1377 9.261,1378 11.084,1379 0.284,1380 0.193,1381 11.726,1382 7.542,1383 9.254,1384 0.181,1385 0.112,1386 10.075,1387 5.72,1388 7.7,1389 0.115,1390 0.064,1391 8.598,1392 4.278,1393 6.732,1394 0.074,1395 0.037,1396 7.675,1397 3.343,1398 0.335,1399 78.188,1400 0.228,1401 23.692,1402 0.653,1403 134,1404 314.655,1405 163.78,1406 339.816,1407 475.67,1408 320,1409 157,1410 341.247,1411 184.655,1412 366.81,1413 535.52,1414 347,1415 4.306}
{0 CHEMBL497755,1 1.263,2 17.406,3 7.66,4 58.679,5 132.32,6 6.579,7 0.629,8 4.232,9 4.351,10 3.704,11 3.812,12 5.208,13 3.757,14 4.782,15 4.964,16 3.992,17 4.184,18 5.678,19 4.099,20 5.04,21 5.271,22 3.973,23 4.284,24 5.847,25 4.152,26 5.087,27 5.355,28 3.842,29 4.232,30 5.818,31 4.073,32 4.998,33 5.266,34 3.745,35 4.183,36 5.707,37 4.013,38 4.978,39 5.252,40 3.697,41 4.158,42 5.693,43 3.975,44 4.931,45 5.209,46 3.585,47 4.072,48 5.62,49 3.882,50 4.833,51 5.116,52 3.475,53 3.946,54 5.511,55 3.757,56 0.064,57 0.833,58 14.904,59 6.638,60 10.53,61 8.971,62 0.193,63 1.397,64 26.828,65 10.812,66 22.392,67 14.843,68 0.267,69 1.713,70 35.234,71 14.209,72 32.979,73 19.594,74 0.321,75 1.766,76 37.4,77 14.553,78 34.471,79 20.375,80 0.252,81 1.638,82 33.82,83 13.65,84 27.709,85 19.264,86 0.317,87 1.599,88 33.067,89 13.659,90 30.47,91 19.388,92 0.212,93 1.507,94 31.581,95 12.967,96 26.16,97 18.301,98 0.268,99 1.349,100 28.865,101 11.597,102 25.694,103 16.347,104 2,105 45,106 0.2,107 0.47,108 0.663,109 0.819,110 0.866,111 0.866,112 3.501,113 1.005,114 -6.46,115 -6.29,116 -5.83,121 44.6,123 5,126 1,127 3,144 14,145 3,146 1,154 2,176 19,180 9,187 19,192 10,200 14,206 8,214 11,219 3,227 15,231 1,232 3,239 18,244 1,251 15,255 1,256 3,264 12,269 3,277 10,281 2008,282 22.258,283 22.258,284 22.258,285 22.258,286 22.258,287 19.71,288 14.037,289 13.916,290 22.503,291 17.375,292 17.375,293 17.375,294 17.375,295 17.375,296 13.646,297 17.275,298 6.752,299 17.76,300 4.759,301 3.06,302 1.841,303 0.86,304 0.565,305 0.565,306 4.204,312 1,313 1221,314 3.873,317 86.173,318 368.885,321 165.756,325 2.818,326 13.144,329 0.75,330 0.67,331 0.67,332 0.7,333 0.5,334 0.67,335 0.5,336 0.64,337 66.5,338 557,339 4.508,340 3.07,341 6.372,342 4.06,343 3.06,344 4.437,345 0.916,346 9.883,347 3.059,348 4.072,349 2.943,350 5.908,351 3.639,352 2.656,353 3.703,354 0.86,355 8.256,356 2.618,357 3.927,358 2.872,359 5.484,360 3.597,361 2.625,362 3.455,363 0.172,364 7.392,365 2.559,366 3.665,367 2.504,368 5.316,369 3.287,370 2.336,371 3.051,373 6.865,374 2.211,375 3.294,376 2.367,377 4.819,378 3.117,379 2.166,380 2.364,382 5.518,383 2.055,384 3.032,385 1.892,386 4.414,387 2.812,388 1.824,389 2.298,391 4.312,392 1.798,393 3.032,394 1.655,395 4.3,396 2.548,397 1.561,398 2.277,400 3.984,401 1.539,402 2.88,403 1.532,404 3.858,405 2.532,406 1.532,407 1.975,409 3.667,410 1.532,411 2.796,412 1.53,413 3.607,414 2.454,415 1.461,416 1.834,418 3.077,419 1.45,420 2.662,421 1.465,422 3.589,423 2.329,424 1.351,425 1.724,427 2.882,428 1.316,429 2.5,430 1.208,431 3.465,432 2.164,433 1.172,434 1.5,436 2.756,437 1.16,438 2.5,439 1.006,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.405,448 1,449 3.247,450 2,451 1,452 1.4,454 2.136,455 1,456 1.897,457 1,458 3.072,459 1.79,460 0.833,461 0.874,463 1.778,464 0.791,465 1.847,466 0.46,467 3,468 1.347,469 0.347,470 0.521,472 0.86,473 0.347,474 15.567,475 0.486,476 0.482,477 0.015,478 39.75,479 1.242,480 20.5,481 0.641,482 19.25,483 0.602,484 27.383,485 0.856,486 34.233,487 0.527,488 26.647,489 0.833,490 7.715,491 0.241,492 8.061,493 0.252,494 0.032,496 0.218,501 0.873,502 1.218,503 0.907,504 1.117,505 0.854,506 1.029,507 1.304,508 1.072,509 1.055,510 1.051,511 0.95,512 1.026,513 1.264,514 1.073,515 1.039,516 1.052,517 1.013,518 1.032,519 1.289,520 0.937,521 0.996,522 0.919,523 1.07,524 0.93,525 0.966,526 0.953,527 0.999,528 0.957,529 0.943,530 0.975,531 0.584,532 0.951,533 0.95,534 0.979,535 0.735,536 0.99,537 0.818,538 0.996,539 0.98,540 1.018,541 0.96,542 1.013,543 0.911,544 0.898,545 0.954,546 0.939,547 0.968,548 0.95,549 4.5,550 0.098,551 2.222,552 1.229,553 1.081,554 0.58,555 0.256,556 0.234,557 0.156,558 0.081,559 20126,560 41116,561 2.139,562 50.8,563 6,564 23,569 4,572 1.731,573 2.087,574 4.05,575 -0.898,582 82.107,583 1.263,584 2.962,585 4.182,586 5.163,587 5.457,588 5.457,589 3.507,590 4.375,591 4.974,592 4.279,593 2122.52,594 8.622,595 36661.1,600 391.454,601 0.947,602 4.968,603 0.129,604 0.004,605 0.049,606 0.029,607 0.03,608 0.018,609 0.008,610 0.009,611 0.006,612 0.004,613 0.286,614 0.5,615 0.75,616 0.313,617 178.062,618 0.05,619 -0.101,620 0.07,621 -0.044,622 0.064,623 0.005,624 -0.067,625 0.013,626 -0.048,627 -0.045,628 0.077,629 -0.04,630 -0.045,631 -0.076,632 -0.037,633 -0.064,634 0.071,635 -0.052,636 -0.072,637 0.039,638 0.009,639 0.042,640 -0.001,641 0.034,642 -0.055,643 0.029,644 -0.018,645 0.017,646 -0.039,647 0.005,648 0.153,649 0.017,650 0.016,651 0.002,652 0.103,654 0.004,655 -0.04,656 -0.008,657 -0.042,658 -0.059,659 -0.028,660 0.069,661 0.051,662 0.031,663 0.027,664 -0.006,665 0.026,666 0.771,667 2.44,668 0.656,669 44.719,670 0.983,671 1.116,672 5.228,673 27.329,674 0.663,675 3.584,676 3.829,677 4.043,678 4.263,679 4.443,680 4.443,681 4.522,682 4.615,683 4.615,684 4.625,685 10.291,686 0.614,687 427.63,688 3.584,689 5.081,690 5.894,691 6.73,692 7.561,693 8.406,694 9.247,695 10.1,696 10.949,697 11.807,698 1.5,701 1,714 2,715 14,718 1,720 4,722 22,739 1,741 65,743 22,744 3,745 35,747 68,748 29,749 20,750 5,751 13,756 4,757 5,770 5,772 20,773 9,792 1,793 33,794 3,796 3,802 1,808 0.75,809 2,828 1,829 3,832 1,855 1,859 3,864 1,868 32,876 8,878 1,881 1,893 3.1,898 2,901 15.333,902 11.7,903 7.222,904 4.192,907 3.807,908 1.494,909 0.984,910 8.273,911 11.515,912 3.85,913 4.398,914 4.962,915 5.544,916 6.072,917 6.31,918 6.723,919 7.157,920 7.388,921 7.687,922 1,923 42,924 11.843,926 4.832,927 0.026,929 7.406,931 23.562,933 19.143,936 1.906,937 61,941 388.446,942 187.013,943 3.124,945 20.507,948 187.013,949 408.954,950 3.124,951 8.396,952 21.476,953 132.667,955 37.819,956 10.285,957 388.446,959 388.446,960 190.137,961 20.507,964 341.362,965 67.592,968 24.601,969 165.536,972 388.446,973 23.632,974 187.013,977 388.446,978 45.949,979 144.188,981 20.507,982 388.446,983 23.632,984 187.013,986 0.558,987 0.311,988 0.168,989 0.091,990 19,991 7,992 0.176,993 12,994 1,995 1.095,996 4.804,997 257.609,998 0.095,999 21,1000 152,1005 22.479,1006 11.777,1007 6.892,1008 2.052,1009 23.632,1010 29.082,1013 5.94,1015 4.281,1018 599.091,1019 46,1031 63.894,1032 72.56,1034 0.21,1035 0.492,1036 0.694,1037 0.857,1038 0.906,1039 0.906,1040 5.034,1041 1.532,1042 5.814,1043 3.984,1044 4.511,1045 5.085,1046 1.382,1047 6.518,1048 4.472,1049 6.189,1050 1.461,1051 7.294,1052 3.667,1053 3.761,1054 4.62,1055 0.325,1056 7.168,1057 3.693,1058 7.449,1059 1.351,1060 8.874,1061 3.077,1062 5.989,1063 7.238,1064 1.115,1065 10.268,1066 5.919,1067 8.75,1068 1.172,1069 10.518,1070 2.882,1071 6.133,1072 7.718,1073 0.393,1074 11.839,1075 6.047,1076 10.088,1077 1,1078 12.207,1079 2.756,1080 7.74,1081 9.724,1082 0.921,1083 14.396,1084 7.652,1085 11.455,1086 1,1087 13.927,1088 2.275,1089 8.34,1090 10.682,1091 0.384,1092 16.354,1093 8.249,1094 12.845,1095 0.833,1096 15.67,1097 2.136,1098 9.66,1099 12.405,1100 0.764,1101 18.722,1102 9.568,1103 3.06,1104 0.347,1105 17.43,1106 1.778,1107 10.5,1108 13.615,1109 0.351,1110 20.852,1111 10.413,1112 2.656,1113 9.883,1114 19.203,1115 0.86,1116 11.687,1117 15.203,1118 0.634,1119 23.156,1120 11.601,1121 2.625,1122 8.256,1123 20.987,1124 4.437,1125 12.653,1126 16.546,1127 0.312,1128 25.365,1129 12.573,1130 2.336,1131 7.392,1132 22.78,1133 3.703,1134 13.783,1135 18.072,1136 0.525,1137 27.648,1138 13.705,1139 2.166,1140 6.865,1141 24.579,1142 3.455,1143 14.814,1144 19.484,1145 0.273,1146 29.895,1147 14.743,1148 1.824,1149 5.518,1150 26.384,1151 3.051,1152 15.922,1153 20.984,1154 0.433,1155 32.175,1156 15.854,1157 1.561,1158 4.312,1159 28.195,1160 2.364,1161 16.988,1162 22.431,1163 0.236,1164 34.441,1165 16.925,1166 18699,1167 26957,1168 24.326,1169 43.097,1170 50.725,1171 50.455,1172 50.903,1173 50.458,1174 50.412,1175 66.423,1176 3.898,1177 132.533,1178 49.403,1179 5.471,1180 5.07,1181 6.263,1182 5.111,1183 5.06,1184 7.437,1185 1.776,1186 16.485,1187 5.059,1188 7.878,1189 1.449,1190 1.442,1191 1.454,1192 1.442,1193 1.44,1194 1.898,1195 0.111,1196 3.787,1197 1.412,1198 4.121,1199 4.127,1200 4.085,1201 4.032,1202 5.147,1203 4.042,1204 3.931,1205 3.971,1206 3.85,1207 3.858,1208 4.816,1209 3.851,1210 3.862,1211 3.885,1212 3.799,1213 3.789,1214 4.755,1215 3.788,1216 3.758,1217 3.817,1218 3.608,1219 3.64,1220 4.425,1221 3.622,1222 3.585,1223 3.658,1224 3.433,1225 3.408,1226 4.279,1227 3.403,1228 3.386,1229 3.449,1230 3.277,1231 3.234,1232 4.239,1233 3.239,1234 3.312,1235 3.357,1236 3.154,1237 3.155,1238 4.018,1239 3.145,1240 3.058,1241 3.137,1242 2.871,1243 2.881,1244 3.813,1245 2.867,1246 0.129,1247 0.088,1248 0.182,1249 0.116,1250 0.087,1251 4.508,1252 0.127,1253 3.07,1254 0.026,1255 6.372,1256 0.282,1257 4.06,1258 0.087,1259 3.06,1260 4.437,1261 0.916,1262 9.883,1263 3.059,1264 1.925,1265 1.905,1266 2.062,1267 2.024,1268 1.392,1269 2.039,1270 1.917,1271 1.884,1272 2.029,1273 2.001,1274 1.209,1275 2.007,1276 1.892,1277 1.876,1278 2.015,1279 1.992,1280 1.137,1281 1.996,1282 1.775,1283 1.715,1284 1.983,1285 1.925,1286 1.107,1287 1.953,1288 1.578,1289 1.508,1290 1.838,1291 1.786,1292 1.066,1293 1.807,1294 1.375,1295 1.336,1296 1.664,1297 1.604,1298 0.857,1299 1.625,1300 1.312,1301 1.256,1302 1.473,1303 1.495,1304 0.669,1305 1.483,1306 1.067,1307 0.991,1308 1.423,1309 1.311,1310 0.534,1311 1.353,1312 4.263,1314 5.525,1315 2.398,1316 6.973,1317 4.727,1318 8.505,1319 6.843,1320 10.084,1322 2.209,1328 9.099,1330 5.928,1333 2.41,1340 39.88,1341 82.107,1342 192.528,1343 271.812,1344 335.58,1345 354.699,1346 354.699,1347 45.187,1348 7.708,1349 25.61,1350 25.61,1351 23,1352 12.361,1353 4.524,1354 3.585,1355 52.729,1356 203,1357 172,1358 0.121,1359 244.888,1360 419.4,1361 589.286,1362 30907,1364 22.012,1365 0.688,1366 0.594,1367 22.012,1368 19.003,1369 15.776,1370 0.451,1371 0.335,1372 11.624,1373 15.411,1374 11.321,1375 9.472,1376 15.776,1377 11.721,1378 13.36,1379 0.297,1380 0.189,1381 13.36,1382 8.512,1383 10.855,1384 0.194,1385 0.104,1386 10.855,1387 5.813,1388 8.855,1389 0.126,1390 0.057,1391 8.855,1392 4.018,1393 6.984,1394 0.083,1395 0.032,1396 6.984,1397 2.678,1398 0.206,1399 97.078,1400 0.203,1401 31.752,1402 0.291,1403 160,1404 379.116,1405 169.499,1406 370.676,1407 519.66,1408 352,1409 181,1410 388.488,1411 191.305,1412 396.841,1413 574.88,1414 374,1415 4.487}
{0 CHEMBL498536,1 1.529,2 7.348,3 5.181,4 26.845,5 99.05,6 8.881,7 0.654,8 3.747,9 3.825,10 3.573,11 3.52,12 4.861,13 3.429,14 4.221,15 4.324,16 3.967,17 3.932,18 5.288,19 3.803,20 4.502,21 4.659,22 4.106,23 4.066,24 5.497,25 3.899,26 4.473,27 4.643,28 3.93,29 4.001,30 5.434,31 3.843,32 4.498,33 4.673,34 3.966,35 4.029,36 5.479,37 3.881,38 4.537,39 4.727,40 3.921,41 4.03,42 5.499,43 3.866,44 4.439,45 4.625,46 3.779,47 3.893,48 5.463,49 3.72,50 4.264,51 4.482,52 3.278,53 3.549,54 5.266,55 3.351,56 0.029,57 0.429,58 6.457,59 3.396,60 6.998,61 4.081,62 0.033,63 0.743,64 13.576,65 6.346,66 9.61,67 7.329,68 0.154,69 1.123,70 28.032,71 10.171,72 21.893,73 10.33,74 0.129,75 1.072,76 22.88,77 9.127,78 19.452,79 10.072,80 0.168,81 1.063,82 21.779,83 9.043,84 23.631,85 10.75,86 0.136,87 1.104,88 23.351,89 9.753,90 23.392,91 11.439,92 0.139,93 0.999,94 23.983,95 9.519,96 21.09,97 10.661,98 0.116,99 0.833,100 20.379,101 8.136,102 22.461,103 9.454,104 2,105 36,106 0.27,107 0.574,108 0.742,109 0.896,110 0.918,111 0.918,112 3.19,113 1.063,114 -5.41,115 -5.29,116 -4.94,121 50,123 1,129 1,144 10,145 1,146 3,153 1,154 1,159 1,176 8,180 3,185 2,187 11,192 5,197 2,200 11,206 2,211 1,214 8,219 3,222 1,224 1,227 13,232 1,239 17,249 2,251 14,261 4,264 7,274 2,277 2,281 650,282 15.947,283 15.947,284 15.947,285 15.947,286 15.947,287 13.678,288 13.329,289 9.569,290 16.41,291 12.897,292 12.897,293 12.897,294 12.897,295 12.897,296 9.59,297 13.412,298 4.6,299 13.718,300 3.719,301 2.001,302 1.052,303 0.178,304 0.053,305 0.053,306 3.892,311 1,312 1,313 374,314 1.871,317 47.185,318 113.04,319 54.776,323 93.708,325 1.059,326 12.89,329 0.75,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.84,337 47.5,338 169,339 4.385,340 4.627,341 6.38,342 4.007,343 3.067,344 3.974,345 3.272,346 9.914,347 2.903,348 4.114,349 3.366,350 6.052,351 3.706,352 2.753,353 3.712,354 0.986,355 8.781,356 2.615,357 4.034,358 3.177,359 6.016,360 3.628,361 2.689,362 3.562,364 8.633,365 2.486,366 3.62,367 2.618,368 5.054,369 3.18,370 2.227,371 2.976,373 6.102,374 2.111,375 3.125,376 2.355,377 4.604,378 2.726,379 1.832,380 2.275,382 4.878,383 1.623,384 2.997,385 2.022,386 4.425,387 2.529,388 1.569,389 2.173,391 4.322,392 1.499,393 2.852,394 1.642,395 3.909,396 2.391,397 1.414,398 1.992,400 3.071,401 1.369,402 2.708,403 1.442,404 3.622,405 2.237,406 1.258,407 1.793,409 2.986,410 1.226,411 2.537,412 1.172,413 3.469,414 2.029,415 1.045,416 1.515,418 2.482,419 1.024,420 2.18,421 1.132,422 3.251,423 1.691,424 0.772,425 1.055,427 1.889,428 0.693,429 2.118,430 0.653,431 3,432 1.461,433 0.618,434 0.927,436 1.372,437 0.506,438 1.218,439 0.618,440 2.862,441 0.898,442 -0.031,443 -0.037,445 -0.079,446 -0.028,447 1.101,448 0.505,449 2.744,450 0.724,451 -0.176,452 -0.21,454 -0.515,455 -0.156,456 0.928,457 -0.057,458 2.353,459 0.525,460 -0.406,461 -0.511,463 -0.904,464 -0.371,465 0.658,466 -0.344,467 2,468 0.239,469 -0.739,470 -0.947,472 -2.017,473 -0.716,474 11.9,475 0.517,476 0.465,477 0.02,478 32.75,479 1.424,480 19,481 0.826,482 13.75,483 0.598,484 17.752,485 0.772,486 22.3,487 0.587,488 20.168,489 0.877,490 5.997,491 0.261,492 5.296,493 0.23,494 0.028,496 0.294,501 0.879,502 0.802,503 0.707,504 0.697,505 0.949,506 0.728,507 0.696,508 1.074,509 0.996,510 1.009,511 0.597,512 0.96,513 1.111,514 1.13,515 1.192,516 1.117,517 0.977,518 1.007,519 1.032,520 1.048,521 1.158,522 1.062,523 0.846,524 1.02,525 0.682,526 0.956,527 0.923,528 0.936,529 0.671,530 0.951,531 0.935,532 0.897,533 0.936,534 0.9,535 0.902,536 0.946,537 0.97,538 1.02,539 1.119,540 1.144,541 1.035,542 1.083,543 0.981,544 1.188,545 1.064,546 1.235,547 1.146,548 1.26,549 4,551 2.222,552 0.903,553 1.264,554 0.684,555 0.263,556 0.284,557 0.128,558 0.047,559 5342,560 14516,561 2.196,562 39.5,564 11,565 1,567 1,568 2,572 1.666,573 2.123,574 2.922,575 -0.369,582 58.107,583 1.529,584 3.247,585 4.196,586 5.07,587 5.195,588 5.195,589 2.235,590 4.263,591 4.497,592 3.053,593 772.438,594 7.79,595 8623.84,600 199.421,601 1.121,602 4.483,603 0.154,605 0.062,606 0.024,607 0.037,608 0.019,609 0.008,610 0.01,611 0.008,612 0.008,613 0.33,614 0.5,615 1,616 0.393,617 104.62,618 -0.072,619 0.073,620 0.053,621 0.111,622 -0.123,623 0.078,624 -0.007,625 -0.142,626 -0.038,627 -0.071,628 0.031,629 -0.092,630 -0.086,631 -0.08,632 -0.036,633 -0.047,634 -0.079,635 -0.061,636 -0.127,637 -0.015,638 -0.128,639 -0.069,640 -0.066,641 -0.077,642 0.109,643 0.015,645 -0.001,646 0.067,647 -0.001,648 -0.072,649 0.071,650 -0.003,651 0.05,652 -0.051,653 0.029,654 0.009,655 -0.065,656 -0.081,657 -0.123,658 -0.001,659 -0.084,660 0.063,661 -0.265,662 -0.117,663 -0.259,664 0.027,665 -0.226,666 1.386,667 3.801,668 0.957,669 15.924,670 0.994,671 1.091,672 4.179,673 17.466,674 0.765,675 3.296,676 3.611,677 3.892,678 4.174,679 4.407,680 4.554,681 4.71,682 4.868,683 4.949,684 4.963,685 4.891,686 0.705,687 337.49,688 3.296,689 4.828,690 5.68,691 6.555,692 7.425,693 8.306,694 9.183,695 10.066,696 10.947,697 11.832,698 2.6,707 1,715 11,719 1,720 5,722 17,725 1,738 1,741 38,743 18,744 2,745 26,747 41,748 19,749 16,750 4,751 8,752 1,756 4,757 5,767 2,770 2,772 17,773 2,777 1,785 1,786 1,793 15,794 2,795 1,796 4,797 2,802 1,808 0.75,809 1,828 1,829 2,830 1,834 1,859 3,860 1,862 2,868 23,875 1,876 1,879 1,880 1,888 1,893 2.6,895 1,901 10.833,902 6.733,903 5,904 2.206,907 3.322,908 1.459,909 1.006,910 4.128,911 10.56,912 3.597,913 4.193,914 4.765,915 5.326,916 5.778,917 6.033,918 6.457,919 6.894,920 7.306,921 7.645,922 0.8,923 37,924 8.49,926 3.65,927 0.026,929 7.565,931 16.571,933 14.061,936 2.065,937 47.5,941 164.795,942 180.052,943 16.786,945 42.683,947 63.497,948 116.554,949 207.479,950 16.786,952 2.535,953 102.412,954 45.44,955 24.279,956 13.13,957 216.522,959 164.795,960 133.34,961 42.683,962 63.497,964 164.795,965 42.683,968 19.32,969 114.02,971 63.497,972 164.795,973 59.469,974 180.052,977 164.795,978 77.64,979 102.412,981 59.469,982 164.795,983 59.469,984 180.052,986 0.577,987 0.335,988 0.188,989 0.102,990 19,991 7,992 0.049,993 2,994 1,995 1.091,996 3.516,997 195.263,998 0.091,999 22,1000 102.042,1001 2,1005 14.827,1006 6.403,1007 3.157,1009 59.469,1010 22.067,1014 1.789,1015 4.849,1017 42.683,1018 404.316,1019 35.5,1027 4.9,1028 1.025,1031 37.767,1032 41.454,1034 0.291,1035 0.619,1036 0.8,1037 0.966,1038 0.99,1039 0.99,1040 4.814,1041 1.258,1042 5.645,1043 3.071,1044 4.29,1045 4.879,1046 3.193,1047 6.435,1048 4.171,1049 6.01,1050 1.045,1051 7.182,1052 2.986,1053 3.761,1054 4.46,1056 7.248,1057 3.561,1058 7.3,1059 0.772,1060 8.817,1061 2.482,1062 5.855,1063 7.023,1064 5.448,1065 10.358,1066 5.626,1067 8.624,1068 0.618,1069 10.513,1070 1.889,1071 6.176,1072 7.451,1074 12.006,1075 5.849,1076 9.98,1077 -0.031,1078 12.248,1079 1.372,1080 7.689,1081 9.411,1082 7.807,1083 14.589,1084 7.35,1085 11.356,1086 -0.176,1087 14.008,1088 -0.079,1089 8.408,1090 10.253,1092 16.575,1093 7.972,1094 12.748,1095 -0.406,1096 15.785,1097 -0.515,1098 9.677,1099 11.93,1100 10.177,1101 18.963,1102 9.224,1103 3.067,1104 -0.739,1105 17.575,1106 -0.904,1107 10.587,1108 12.992,1110 21.098,1111 10.047,1112 2.753,1113 9.914,1114 19.374,1115 -2.017,1116 11.75,1117 14.524,1118 12.548,1119 23.409,1120 11.184,1121 2.689,1122 8.781,1123 21.18,1124 3.974,1125 12.754,1126 15.708,1128 25.612,1129 12.111,1130 2.227,1131 8.633,1132 22.991,1133 3.712,1134 13.874,1135 17.161,1136 14.919,1137 27.895,1138 13.195,1139 1.832,1140 6.102,1141 24.806,1142 3.562,1143 14.924,1144 18.416,1146 30.131,1147 14.177,1148 1.569,1149 4.878,1150 26.624,1151 2.976,1152 16.027,1153 19.827,1154 17.29,1155 32.405,1156 15.237,1157 1.414,1158 4.322,1159 28.444,1160 2.275,1161 17.101,1162 21.124,1164 34.659,1165 16.25,1166 5015,1167 8373,1168 18.087,1169 29.085,1170 39.304,1171 41.235,1172 38.828,1173 38.525,1174 38.489,1175 51.908,1176 8.517,1177 108.863,1178 36.113,1179 5.284,1180 6.627,1181 6.063,1182 5.163,1183 5.067,1184 6.974,1185 6.545,1186 16.502,1187 4.903,1188 5.988,1189 1.512,1190 1.586,1191 1.493,1192 1.482,1193 1.48,1194 1.996,1195 0.328,1196 4.187,1197 1.389,1198 4.017,1199 4.038,1200 4.267,1201 4.007,1202 6.471,1203 3.961,1204 3.855,1205 3.871,1206 4.009,1207 3.851,1208 4.867,1209 3.804,1210 3.817,1211 3.832,1212 3.827,1213 3.793,1214 4.652,1215 3.769,1216 3.432,1217 3.479,1218 3.465,1219 3.35,1220 4.614,1221 3.321,1222 3.033,1223 3.072,1224 3.233,1225 2.99,1226 4.277,1227 2.931,1228 2.928,1229 2.969,1230 2.806,1231 2.746,1232 3.768,1233 2.749,1234 2.794,1235 2.857,1236 2.735,1237 2.715,1238 3.586,1239 2.693,1240 2.792,1241 2.839,1242 2.682,1243 2.685,1244 3.506,1245 2.668,1246 0.169,1247 0.178,1248 0.245,1249 0.154,1250 0.118,1251 4.385,1252 0.153,1253 4.627,1254 0.126,1255 6.38,1256 0.381,1257 4.007,1258 0.112,1259 3.067,1260 3.974,1261 3.272,1262 9.914,1263 2.903,1264 1.926,1265 1.903,1266 2.02,1267 2.015,1268 1.218,1269 2.018,1270 1.86,1271 1.842,1272 1.95,1273 1.922,1274 1.096,1275 1.943,1276 1.638,1277 1.617,1278 1.758,1279 1.721,1280 0.99,1281 1.755,1282 1.43,1283 1.4,1284 1.589,1285 1.534,1286 0.67,1287 1.57,1288 1.224,1289 1.206,1290 1.239,1291 1.292,1292 0.523,1293 1.342,1294 0.923,1295 0.906,1296 1.138,1297 1.137,1298 0.244,1299 1.131,1300 0.883,1301 0.839,1302 1.126,1303 1.025,1304 0.198,1305 1.076,1306 0.854,1307 0.793,1308 1.032,1309 0.997,1310 0.156,1311 1.061,1312 3.97,1314 5.283,1315 2.398,1316 6.781,1317 4.595,1318 8.363,1319 6.605,1320 9.988,1327 9.801,1328 0.851,1331 1.872,1332 0.347,1340 26.798,1341 58.107,1342 123.393,1343 159.447,1344 192.666,1345 197.421,1346 197.421,1347 28.581,1348 7.238,1349 32.59,1350 86.13,1351 24,1352 12.365,1353 4.248,1354 3.392,1355 31.493,1356 68,1357 60,1358 0.233,1359 170.157,1360 288.17,1361 406.944,1362 12573,1364 15.648,1365 0.68,1366 0.608,1367 16.355,1368 13.979,1369 11.293,1370 0.434,1371 0.354,1372 7.579,1373 10.229,1374 7.243,1375 5.963,1376 12.155,1377 9.214,1378 10.108,1379 0.281,1380 0.212,1381 11.334,1382 7.626,1383 8.593,1384 0.179,1385 0.13,1386 10.137,1387 6.248,1388 7.372,1389 0.115,1390 0.076,1391 8.957,1392 4.863,1393 5.896,1394 0.073,1395 0.043,1396 7.281,1397 3.503,1398 0.348,1399 77.366,1400 0.235,1401 21.941,1402 0.695,1403 124,1404 307.516,1405 176.063,1406 349.914,1407 486.64,1408 330,1409 146,1410 331.647,1411 194.817,1412 368.054,1413 539.35,1414 349,1415 5.229}
{0 CHEMBL498539,1 1.547,2 8.6,3 5.892,4 34.718,5 105.021,6 8.924,7 0.643,8 3.816,9 3.899,10 3.593,11 3.559,12 4.951,13 3.492,14 4.294,15 4.401,16 4.003,17 3.971,18 5.399,19 3.87,20 4.611,21 4.768,22 4.156,23 4.15,24 5.653,25 4.014,26 4.6,27 4.781,28 3.959,29 4.075,30 5.563,31 3.924,32 4.598,33 4.787,34 3.965,35 4.086,36 5.565,37 3.953,38 4.651,39 4.841,40 4.047,41 4.116,42 5.638,43 3.973,44 4.584,45 4.773,46 3.894,47 4.005,48 5.643,49 3.874,50 4.47,51 4.686,52 3.664,53 3.783,54 5.538,55 3.625,56 0.023,57 0.458,58 6.307,59 3.465,60 7.188,61 4.278,62 0.017,63 0.781,64 12.588,65 6.27,66 10.377,67 7.623,68 0.159,69 1.171,70 25.732,71 9.823,72 27.704,73 11.127,74 0.156,75 1.175,76 26.259,77 10.011,78 25.686,79 11.568,80 0.162,81 1.151,82 23.067,83 9.794,84 27.491,85 12.07,86 0.174,87 1.188,88 27.997,89 10.291,90 28.446,91 12.432,92 0.151,93 1.071,94 23.701,95 9.421,96 26.298,97 11.707,98 0.135,99 0.954,100 22.059,101 8.868,102 29.174,103 11.236,104 5,105 39,106 0.269,107 0.546,108 0.703,109 0.868,110 0.889,111 0.889,112 3.268,113 0.999,114 -6,115 -5.86,116 -5.45,121 51.2,123 1,129 1,144 12,145 2,146 4,159 1,176 11,180 3,185 2,187 17,192 5,197 2,200 15,206 3,211 1,214 13,219 3,222 1,224 1,227 17,232 2,239 23,249 3,251 19,256 1,261 4,264 11,274 3,277 7,281 811,282 17.102,283 17.102,284 17.102,285 17.102,286 17.102,287 14.678,288 14.93,289 10.156,290 17.496,291 13.863,292 13.863,293 13.863,294 13.863,295 13.863,296 10.328,297 14.053,298 4.887,299 14.625,300 3.811,301 2.214,302 1.312,303 0.36,304 0.244,305 0.244,306 3.97,308 1,312 1,313 471,314 2,318 189.433,319 61.683,323 105.44,325 1.216,326 16.069,329 0.75,330 0.83,331 1,332 0.6,333 0.5,334 1,335 1,336 0.81,337 51.833,338 215,339 4.386,340 4.627,341 6.38,342 4.016,343 3.067,344 3.975,345 3.272,346 9.916,347 2.92,348 4.12,349 3.368,350 6.053,351 3.73,352 2.762,353 3.714,354 0.986,355 8.786,356 2.663,357 4.073,358 3.177,359 6.018,360 3.67,361 2.703,362 3.658,364 8.64,365 2.6,366 3.64,367 2.906,368 5.07,369 3.217,370 2.297,371 2.99,373 6.164,374 2.133,375 3.556,376 2.616,377 5.028,378 3.121,379 2.203,380 2.842,382 6.033,383 1.923,384 2.998,385 2.245,386 4.522,387 2.533,388 1.611,389 2.175,391 4.589,392 1.5,393 2.939,394 1.947,395 4.382,396 2.495,397 1.536,398 2.099,400 4.185,401 1.419,402 2.787,403 1.636,404 3.842,405 2.359,406 1.377,407 1.887,409 3.004,410 1.341,411 2.61,412 1.441,413 3.621,414 2.167,415 1.185,416 1.648,418 2.82,419 1.153,420 2.5,421 1.14,422 3.468,423 2,424 1,425 1.5,427 2.422,428 1,429 2.424,430 1,431 3.414,432 1.913,433 0.953,434 1.347,436 2.275,437 0.899,438 1.302,439 0.695,440 2.864,441 0.971,442 0.057,443 0.068,445 0.139,446 0.049,447 1.11,448 0.629,449 2.803,450 0.733,451 -0.171,452 -0.204,454 -0.49,455 -0.15,456 1.023,457 0.394,458 2.518,459 0.592,460 -0.273,461 -0.333,463 -0.635,464 -0.198,465 0.919,466 -0.057,467 2,468 0.511,469 -0.409,470 -0.514,472 -0.914,473 -0.372,474 12.781,475 0.511,476 0.571,477 0.023,478 36,479 1.44,480 21,481 0.84,482 15,483 0.6,484 19.15,485 0.766,486 24.419,487 0.596,488 24.095,489 0.964,490 6.8,491 0.272,492 5.387,493 0.215,494 0.082,496 0.313,501 0.76,502 0.852,503 0.617,504 0.709,505 0.874,506 0.735,507 0.638,508 1.114,509 0.824,510 0.984,511 0.568,512 0.95,513 1.039,514 1.116,515 1.148,516 1.115,517 0.949,518 1.005,519 0.933,520 1.087,521 1.151,522 1.151,523 0.835,524 1.078,525 0.555,526 0.959,527 0.792,528 0.947,529 0.583,530 0.93,531 0.838,532 0.955,533 0.821,534 0.929,535 0.867,536 0.982,537 0.914,538 1.005,539 0.895,540 1.015,541 1.015,542 1.047,543 0.851,544 1.107,545 0.871,546 1.069,547 0.957,548 1.119,549 5,550 0.066,551 2.667,552 1.125,553 1.397,554 0.914,555 0.372,556 0.378,557 0.297,558 0.118,559 6673,560 19625,561 2.154,562 39,564 13,567 1,568 2,572 1.688,573 2.055,574 3.089,575 -0.396,582 63.421,583 1.547,584 3.143,585 4.046,586 4.998,587 5.114,588 5.114,589 2.493,590 3.783,591 4.615,592 3.217,593 965.034,594 8.026,595 11380.9,600 219.66,601 1.26,602 4.592,603 0.179,604 0.013,605 0.068,606 0.027,607 0.039,608 0.023,609 0.01,610 0.011,611 0.012,612 0.009,613 0.392,614 0.67,615 0.88,616 0.477,617 117.78,618 -0.062,619 0.06,620 0.024,621 0.09,622 -0.124,623 0.064,625 -0.162,626 -0.015,627 -0.076,628 0.047,629 -0.093,630 -0.103,631 -0.069,632 -0.09,633 -0.063,634 -0.083,635 -0.067,636 -0.122,637 -0.035,638 -0.162,639 -0.112,640 -0.089,641 -0.113,642 0.081,643 0.047,644 0.008,645 0.028,646 0.075,647 0.042,648 -0.046,649 0.033,650 0.037,651 0.026,652 -0.066,653 -0.01,654 -0.004,655 -0.065,656 -0.035,657 -0.096,658 -0.051,659 -0.074,660 0.121,661 -0.181,662 0.035,663 -0.124,664 0.1,665 -0.093,666 1.409,667 3.848,668 0.92,669 19.088,670 0.998,671 1.095,672 4.775,673 22.797,674 0.757,675 3.367,676 3.689,677 3.951,678 4.22,679 4.522,680 4.635,681 4.779,682 4.956,683 5.081,684 5.13,685 5.316,686 0.706,687 365.9,688 3.367,689 4.905,690 5.753,691 6.627,692 7.493,693 8.372,694 9.246,695 10.129,696 11.007,697 11.891,698 2.4,707 1,715 12,720 6,722 18,725 1,738 1,740 1,741 41,743 19,744 3,745 28,747 44,748 21,749 18,750 6,751 12,752 1,756 4,757 5,758 1,767 2,770 2,772 19,773 2,777 1,785 1,786 1,793 16,794 2,795 1,796 4,797 2,802 1,808 0.75,809 1,829 3,830 1,834 1,859 3,860 1,862 1,865 1,868 25,875 1,876 1,879 1,880 1,892 1,893 2.4,895 1,901 12.167,902 7.293,903 5.417,904 2.394,907 3.607,908 1.484,909 0.998,910 4.625,911 11.051,912 3.664,913 4.27,914 4.83,915 5.382,916 5.954,917 6.133,918 6.524,919 6.964,920 7.411,921 7.781,922 0.833,923 42,924 9.209,926 3.95,927 0.026,929 7.638,931 17.807,933 14.992,936 2.138,937 53.444,941 176.567,942 165.405,943 16.786,944 39.149,945 42.683,947 32.22,948 133.185,949 258.399,950 16.786,952 2.535,953 113.715,954 45.44,955 30.965,957 208.786,958 39.149,959 176.567,960 149.971,961 42.683,962 71.368,964 176.567,965 42.683,968 19.32,969 130.651,970 39.149,971 32.22,972 176.567,973 59.469,974 204.554,977 176.567,978 51.69,979 113.715,981 98.618,982 176.567,983 59.469,984 204.554,986 0.581,987 0.332,988 0.18,989 0.108,990 20,991 8,992 0.045,993 2,994 1,995 1.087,996 3.658,997 217.704,998 0.087,999 23,1000 112.096,1001 1,1005 16.406,1006 7.047,1007 3.64,1009 59.469,1010 23.514,1015 5.313,1017 42.683,1018 440.589,1019 38,1027 4.902,1028 0.98,1031 40.898,1032 44.893,1034 0.289,1035 0.587,1036 0.755,1037 0.933,1038 0.954,1039 0.954,1040 4.887,1041 1.377,1042 5.727,1043 4.185,1044 4.369,1045 4.956,1046 3.193,1047 6.512,1048 4.265,1049 6.091,1050 1.185,1051 7.265,1052 3.004,1053 3.892,1054 4.605,1056 7.322,1057 3.674,1058 7.386,1059 1,1060 8.899,1061 2.82,1062 5.938,1063 7.11,1064 5.448,1065 10.411,1066 5.744,1067 8.712,1068 0.953,1069 10.589,1070 2.422,1071 6.256,1072 7.531,1074 12.038,1075 5.959,1076 10.066,1077 0.057,1078 12.316,1079 2.275,1080 7.763,1081 9.503,1082 7.807,1083 14.618,1084 7.486,1085 11.439,1086 -0.171,1087 14.068,1088 0.139,1089 8.465,1090 10.312,1092 16.591,1093 8.099,1094 12.828,1095 -0.273,1096 15.837,1097 -0.49,1098 9.736,1099 12.02,1100 10.177,1101 18.978,1102 9.373,1103 3.067,1104 -0.409,1105 17.619,1106 -0.635,1107 10.631,1108 13.047,1110 21.107,1111 10.191,1112 2.762,1113 9.916,1114 19.412,1115 -0.914,1116 11.796,1117 14.608,1118 12.548,1119 23.418,1120 11.343,1121 2.703,1122 8.786,1123 21.212,1124 3.975,1125 12.789,1126 15.765,1128 25.618,1129 12.269,1130 2.297,1131 8.64,1132 23.017,1133 3.714,1134 13.909,1135 17.241,1136 14.919,1137 27.9,1138 13.363,1139 2.203,1140 6.164,1141 24.828,1142 3.658,1143 14.953,1144 18.475,1146 30.136,1147 14.346,1148 1.611,1149 6.033,1150 26.643,1151 2.99,1152 16.056,1153 19.901,1154 17.29,1155 32.409,1156 15.413,1157 1.536,1158 4.589,1159 28.46,1160 2.842,1161 17.126,1162 21.184,1164 34.664,1165 16.428,1166 6317,1167 10935,1168 19.186,1169 31.057,1170 42.205,1171 44.663,1172 42.502,1173 41.755,1174 41.502,1175 55.804,1176 8.517,1177 117.948,1178 39.201,1179 5.284,1180 6.627,1181 6.063,1182 5.146,1183 5.067,1184 6.975,1185 6.545,1186 16.502,1187 4.92,1188 9.133,1189 1.507,1190 1.595,1191 1.518,1192 1.491,1193 1.482,1194 1.993,1195 0.304,1196 4.212,1197 1.4,1198 4.025,1199 4.048,1200 4.126,1201 3.987,1202 6.471,1203 3.966,1204 3.879,1205 3.901,1206 3.946,1207 3.829,1208 4.947,1209 3.822,1210 3.835,1211 3.859,1212 3.829,1213 3.791,1214 4.85,1215 3.778,1216 3.458,1217 3.502,1218 3.551,1219 3.383,1220 4.614,1221 3.355,1222 3.088,1223 3.119,1224 3.24,1225 3.026,1226 4.339,1227 2.993,1228 2.93,1229 2.97,1230 3.19,1231 2.777,1232 4.254,1233 2.749,1234 2.854,1235 2.925,1236 2.806,1237 2.746,1238 3.731,1239 2.73,1240 2.821,1241 2.875,1242 2.71,1243 2.735,1244 3.674,1245 2.715,1246 0.157,1247 0.165,1248 0.228,1249 0.143,1250 0.11,1251 4.386,1252 0.142,1253 4.627,1254 0.117,1255 6.38,1256 0.354,1257 4.016,1258 0.104,1259 3.067,1260 3.975,1261 3.272,1262 9.916,1263 2.92,1264 1.938,1265 1.916,1266 2.033,1267 2.022,1268 1.266,1269 2.028,1270 1.912,1271 1.893,1272 1.988,1273 1.969,1274 1.106,1275 1.991,1276 1.836,1277 1.814,1278 1.942,1279 1.911,1280 1.033,1281 1.926,1282 1.472,1283 1.434,1284 1.636,1285 1.602,1286 0.867,1287 1.628,1288 1.08,1289 1.052,1290 1.188,1291 1.204,1292 0.362,1293 1.223,1294 0.886,1295 0.839,1296 1.181,1297 1.134,1298 0.218,1299 1.13,1300 0.883,1301 0.821,1302 1.137,1303 1.062,1304 0.198,1305 1.107,1306 0.859,1307 0.803,1308 1.118,1309 1.018,1310 0.16,1311 1.064,1312 4.043,1314 5.361,1316 6.87,1317 2.708,1318 8.461,1319 5.293,1320 10.091,1323 6.048,1327 9.848,1328 0.782,1331 1.819,1332 0.238,1340 28.965,1341 63.421,1342 128.866,1343 165.885,1344 204.905,1345 209.66,1346 209.66,1347 34.384,1348 7.444,1349 32.59,1350 57.89,1351 25,1352 12.425,1353 4.322,1354 3.459,1355 35.553,1356 81,1357 85,1358 0.222,1359 183.616,1360 316.83,1361 439.784,1362 16490,1363 2.4,1364 17.225,1365 0.689,1366 0.599,1367 18.079,1368 14.966,1369 12.187,1370 0.435,1371 0.333,1372 8.147,1373 11.29,1374 7.843,1375 6.457,1376 12.884,1377 9.328,1378 11.084,1379 0.284,1380 0.195,1381 12.134,1382 7.62,1383 9.254,1384 0.181,1385 0.113,1386 10.364,1387 5.764,1388 7.7,1389 0.115,1390 0.064,1391 8.765,1392 4.3,1393 6.732,1394 0.074,1395 0.037,1396 7.889,1397 3.369,1398 0.335,1399 81.364,1400 0.228,1401 23.692,1402 0.653,1403 134,1404 340.859,1405 179.3,1406 393.052,1407 534.47,1408 368,1409 157,1410 358.11,1411 194.413,1412 391.6,1413 572.6,1414 371,1415 4.726}
{0 CHEMBL498645,1 1.103,2 9,3 4.449,4 19.796,5 107.318,6 5.174,8 4.241,9 4.402,10 3.503,11 3.766,12 4.94,13 3.663,14 4.94,15 5.169,16 3.974,17 4.32,18 5.491,19 4.186,20 5.378,21 5.624,22 4.179,23 4.674,24 5.932,25 4.495,26 5.691,27 5.984,28 4.151,29 4.823,30 6.19,31 4.585,32 5.778,33 6.119,34 3.975,35 4.758,36 6.222,37 4.478,38 5.6,39 5.947,40 3.709,41 4.548,42 6.058,43 4.253,44 5.383,45 5.744,46 3.45,47 4.286,48 5.807,49 3.983,50 5.076,51 5.428,52 3.24,53 4.002,54 5.534,55 3.717,56 0.092,57 0.95,58 17.854,59 7.391,60 7.397,61 10.846,62 0.179,63 1.706,64 33.028,65 13.628,66 9.747,67 20.003,68 0.247,69 2.485,70 48.94,71 20.739,72 17.399,73 30.148,74 0.31,75 3.018,76 61.553,77 25.933,78 24.57,79 37.791,80 0.344,81 2.949,82 62.294,83 25.467,84 28.328,85 37.514,86 0.288,87 2.416,88 51.444,89 20.893,90 25.404,91 30.851,92 0.229,93 1.878,94 40.385,95 16.266,96 18.773,97 24.097,98 0.182,99 1.417,100 30.337,101 11.839,102 14.861,103 17.758,104 39,105 45,106 0.18,107 0.343,108 0.604,109 0.758,110 0.834,111 0.864,112 3.269,113 1.199,114 -6.06,115 -5.91,116 -5.5,121 34.3,122 3,123 9,124 5,125 2,126 2,129 2,165 1,166 1,167 1,176 20,180 2,185 2,187 34,189 2,192 2,197 2,200 38,203 2,206 4,211 2,214 31,216 2,219 2,224 3,227 20,229 3,232 2,237 2,239 15,241 2,244 2,249 2,251 8,253 2,256 3,261 2,264 3,266 2,269 2,274 3,277 2,279 3,281 729,282 16.219,283 16.219,284 16.219,285 16.219,286 16.219,287 16.219,288 9.679,289 8.795,290 16.353,291 13.697,292 13.697,293 13.697,294 13.697,295 13.697,296 13.697,297 12.286,298 4.036,299 13.897,300 4.963,301 3.967,302 2.363,303 1.418,304 0.952,305 0.773,306 3.955,311 1,312 1,313 487,314 3.873,317 36.351,318 121.773,321 59.65,322 134.879,325 1.44,326 10.426,329 0.75,330 0.83,331 1,332 0.6,333 0.5,334 1,335 1,336 0.81,337 51,338 225,339 4.722,340 3.727,341 7.966,342 4.721,343 3.722,344 3.722,345 0.8,346 15.076,347 3.719,348 4.531,349 3.539,350 7.828,351 4.53,352 3.531,353 3.531,355 14.448,356 3.526,357 3.71,358 2.9,359 6.397,360 3.677,361 2.71,362 2.71,364 9.366,365 2.629,366 3.421,367 2.505,368 5.975,369 3.396,370 2.421,371 2.421,373 7.878,374 2.353,375 3.221,376 2.291,377 5.453,378 3.205,379 2.221,380 2.221,382 6.527,383 2.182,384 2.866,385 1.888,386 4.983,387 2.86,388 1.866,389 1.866,391 5.332,392 1.853,393 2.638,394 1.696,395 4.836,396 2.629,397 1.638,398 1.638,400 4.519,401 1.623,402 2.481,403 1.544,404 4.65,405 2.456,406 1.481,407 1.481,409 4.338,410 1.44,411 2.072,412 1.086,413 3.991,414 2.068,415 1.072,416 1.072,418 2.748,419 1.067,420 1.722,421 0.768,422 3.537,423 1.712,424 0.722,425 0.722,427 1.7,428 0.714,429 1.521,430 0.577,431 3.315,432 1.504,433 0.521,434 0.521,436 1.26,437 0.511,438 1.105,439 0.177,440 3.169,441 1.089,442 0.105,443 0.105,445 0.252,446 0.103,447 0.811,448 -0.185,449 2.972,450 0.81,451 -0.189,452 -0.189,454 -0.541,455 -0.189,456 0.541,457 -0.432,458 2.784,459 0.535,460 -0.459,461 -0.459,463 -1.238,464 -0.456,465 0.229,466 -0.6,467 2.589,468 0.219,469 -0.771,470 -0.771,472 -2,473 -0.762,474 12.3,475 0.492,476 0.987,477 0.039,478 15,479 0.6,482 15,483 0.6,484 43.917,485 1.757,486 30.9,487 0.461,488 3.678,489 0.147,490 0.889,491 0.036,492 10.881,493 0.435,494 0.236,495 0.081,496 0.317,501 1.245,502 1.422,503 1.25,504 1.325,505 1.589,506 1.294,507 1.285,508 1.078,509 1.094,510 1.059,511 0.716,512 1.066,513 1.054,514 1.236,515 1.238,516 1.264,517 0.953,518 1.261,519 0.809,520 1.208,521 1.157,522 1.23,523 0.791,524 1.214,525 0.833,526 0.946,527 0.949,528 0.965,529 0.647,530 0.963,531 0.855,532 0.943,533 0.954,534 0.964,535 0.986,536 0.963,537 0.767,538 0.855,539 0.841,540 0.858,541 0.798,542 0.854,543 0.907,544 0.938,545 0.884,546 0.904,547 0.942,548 0.895,549 7.5,550 0.074,551 5.778,552 3.319,553 2.681,554 1.195,555 0.782,556 0.443,557 0.326,558 0.152,559 6075,560 7379,561 2.038,562 62.7,563 24,564 8,567 2,569 8,572 1.684,573 1.829,574 3.117,575 0.115,582 73.909,583 1.103,584 2.099,585 3.703,586 4.648,587 5.114,588 5.293,589 2.733,590 4.484,591 4.612,592 3.235,593 970.588,594 8.001,595 10817.5,600 406.428,601 1.842,602 4.521,603 0.268,604 0.011,605 0.128,606 0.064,607 0.058,608 0.032,609 0.029,610 0.021,611 0.019,612 0.011,613 0.641,614 0.67,615 0.88,616 1.051,617 116.55,618 0.036,619 0.024,620 0.074,621 0.058,622 -0.228,623 0.066,624 -0.048,625 0.188,626 0.099,627 0.159,628 0.041,629 0.14,630 -0.108,631 -0.039,632 -0.106,633 -0.077,634 -0.052,635 -0.089,636 -0.047,637 -0.155,638 -0.133,639 -0.156,640 -0.058,641 -0.15,642 -0.008,643 -0.019,644 -0.012,645 -0.016,646 0.039,647 -0.014,648 -0.018,649 -0.034,650 -0.029,651 -0.033,652 -0.049,653 -0.032,654 0.047,655 0.012,656 0.055,657 0.037,658 0.01,659 0.045,660 0.057,661 -0.042,662 0.039,663 0.001,664 0.021,665 0.016,666 0.847,667 2.35,668 0.68,669 19.072,670 0.968,671 1.139,672 4.832,673 23.352,674 0.601,675 3.367,676 3.829,677 4.205,678 4.522,679 4.812,680 4.997,681 5.22,682 5.425,683 5.561,684 5.572,685 5.174,686 0.531,687 346.67,688 3.367,689 4.99,690 5.911,691 6.866,692 7.809,693 8.769,694 9.721,695 10.683,696 11.639,697 12.603,698 3,699 1,701 1,741 67,745 28,747 70,748 23,756 4,757 10,763 3,764 2,766 2,767 10,768 5,770 11,773 23,774 5,793 42,794 2,795 2,796 2,802 2,808 0.25,828 1,829 3,832 1,833 2,851 1,855 1,859 1,864 5,868 25,869 1,876 9,880 7,881 1,882 2,901 13.667,902 12.867,903 5.194,904 4.661,908 1,909 0.903,910 4.558,911 7.879,912 3.367,913 3.829,914 4.205,915 4.522,916 4.812,917 4.997,918 5.22,919 5.425,920 5.561,921 5.572,922 1,923 52,924 9.42,926 4.136,927 0.026,929 7.153,931 19.942,933 19.055,936 1.653,937 41.333,938 0.003,941 470.844,942 66.079,943 36.022,948 66.079,949 470.844,950 36.022,951 43.268,952 55.708,955 3.124,957 470.844,959 470.844,960 102.101,964 376.675,965 94.169,968 85.308,969 16.793,972 470.844,973 36.022,974 66.079,977 470.844,978 22.811,979 46.393,981 32.897,982 470.844,983 36.022,984 66.079,986 0.62,987 0.385,988 0.2,989 0.111,990 26,991 12,992 0.029,993 2,994 3,995 1.353,996 3.401,997 234.26,998 0.353,999 17,1000 110.096,1005 18.293,1006 6.229,1007 2.645,1009 36.022,1017 32.897,1018 572.945,1019 28,1031 64.876,1032 76.301,1034 0.182,1035 0.346,1036 0.61,1037 0.766,1038 0.843,1039 0.873,1040 4.779,1041 1.481,1042 6.014,1043 4.519,1044 4.511,1045 4.511,1046 0.673,1047 7.036,1048 4.489,1049 5.979,1050 1.072,1051 7.727,1052 4.338,1053 4.575,1054 4.575,1055 0.325,1056 8.626,1057 4.545,1058 7.344,1059 0.722,1060 9.561,1061 2.748,1062 6.389,1063 6.389,1064 0.379,1065 11.776,1066 6.36,1067 8.74,1068 0.521,1069 11.468,1070 1.7,1071 7.238,1072 7.238,1073 0.268,1074 14.14,1075 7.209,1076 10.178,1077 0.105,1078 13.422,1079 1.26,1080 8.659,1081 8.659,1082 0.239,1083 16.951,1084 8.632,1085 11.64,1086 -0.189,1087 15.407,1088 0.252,1089 9.797,1090 9.797,1091 0.188,1092 19.547,1093 9.773,1094 13.122,1095 -0.459,1096 17.414,1097 -0.541,1098 11.116,1099 11.116,1100 0.156,1101 22.275,1102 11.094,1103 3.722,1104 -0.771,1105 19.437,1106 -1.238,1107 12.355,1108 12.355,1109 0.125,1110 24.939,1111 12.335,1112 3.531,1113 15.076,1114 21.471,1115 -2,1116 13.651,1117 13.651,1118 0.102,1119 27.645,1120 13.632,1121 2.71,1122 14.448,1123 23.513,1124 3.722,1125 14.925,1126 14.925,1127 0.082,1128 30.332,1129 14.908,1130 2.421,1131 9.366,1132 25.561,1133 3.531,1134 16.218,1135 16.218,1136 0.066,1137 33.031,1138 16.201,1139 2.221,1140 7.878,1141 27.614,1142 2.71,1143 17.506,1144 17.506,1145 0.054,1146 35.725,1147 17.489,1148 1.866,1149 6.527,1150 29.67,1151 2.421,1152 18.8,1153 18.8,1154 0.043,1155 38.424,1156 18.784,1157 1.638,1158 5.332,1159 31.729,1160 2.221,1161 20.094,1162 20.094,1163 0.035,1164 41.121,1165 20.078,1166 5936,1167 6526,1168 17.8,1169 40.239,1170 44.018,1171 44.026,1172 47.147,1173 44.037,1174 44.018,1175 44.018,1176 1.6,1177 146.887,1178 43.445,1179 5.722,1180 5.727,1181 7.225,1182 5.721,1183 5.722,1184 5.722,1185 1.2,1186 23.859,1187 5.719,1188 15.059,1189 1.572,1190 1.572,1191 1.684,1192 1.573,1193 1.572,1194 1.572,1195 0.057,1196 5.246,1197 1.552,1198 4.121,1199 4.163,1200 4.021,1201 4.047,1202 5.003,1203 4.035,1204 3.902,1205 3.952,1206 3.791,1207 3.81,1208 4.501,1209 3.799,1210 3.659,1211 3.736,1212 3.515,1213 3.494,1214 4.33,1215 3.488,1216 3.494,1217 3.575,1218 3.329,1219 3.321,1220 4.18,1221 3.311,1222 3.416,1223 3.491,1224 3.228,1225 3.28,1226 3.838,1227 3.259,1228 3.276,1229 3.366,1230 3.066,1231 3.112,1232 3.821,1233 3.088,1234 3.189,1235 3.289,1236 2.959,1237 3.002,1238 3.717,1239 2.979,1240 3.115,1241 3.217,1242 2.856,1243 2.924,1244 3.681,1245 2.893,1246 0.169,1247 0.133,1248 0.285,1249 0.169,1250 0.133,1251 4.722,1252 0.133,1253 3.727,1254 0.029,1255 7.966,1256 0.538,1257 4.721,1258 0.133,1259 3.722,1260 3.722,1261 0.8,1262 15.076,1263 3.719,1264 2.057,1265 2.019,1266 2.219,1267 2.159,1268 1.701,1269 2.182,1270 1.838,1271 1.79,1272 2.031,1273 1.982,1274 1.453,1275 2.001,1276 1.719,1277 1.659,1278 1.948,1279 1.891,1280 1.329,1281 1.915,1282 1.491,1283 1.414,1284 1.78,1285 1.702,1286 1.094,1287 1.734,1288 1.446,1289 1.371,1290 1.733,1291 1.644,1292 1.038,1293 1.679,1294 1.382,1295 1.305,1296 1.683,1297 1.582,1298 0.927,1299 1.622,1300 1.215,1301 1.118,1302 1.597,1303 1.46,1304 0.793,1305 1.513,1306 1.158,1307 1.058,1308 1.544,1309 1.405,1310 0.733,1311 1.458,1312 4.043,1314 5.468,1315 2.398,1316 7.107,1317 4.844,1318 8.85,1319 7.066,1320 10.647,1322 12.384,1326 6.35,1328 12.899,1332 6.024,1333 2.477,1334 1.199,1340 35.579,1341 73.909,1342 140.657,1343 248.111,1344 311.434,1345 342.654,1346 354.654,1347 43.912,1348 7.879,1349 29.26,1350 29.26,1351 23,1352 13.084,1355 35.79,1356 79,1357 80,1358 0.241,1359 215.409,1360 379.02,1361 517.359,1362 25901,1364 17.983,1365 0.719,1366 0.697,1367 17.983,1368 17.43,1369 11.771,1370 0.42,1371 0.4,1372 11.141,1373 11.615,1374 10.631,1375 8.824,1376 11.771,1377 11.191,1378 11.868,1379 0.264,1380 0.247,1381 11.868,1382 11.124,1383 10.688,1384 0.162,1385 0.154,1386 10.688,1387 10.177,1388 8.841,1389 0.097,1390 0.093,1391 8.841,1392 8.484,1393 7.446,1394 0.061,1395 0.057,1396 7.446,1397 6.969,1398 0.36,1399 71.656,1400 0.237,1401 23.358,1402 0.718,1403 146,1404 174.957,1405 148.775,1406 180.342,1407 260.46,1408 170,1409 184,1410 202.394,1411 186.998,1412 214.527,1413 317.73,1414 200,1415 4.553}
{0 CHEMBL499224,1 1.33,2 15.659,3 6.813,4 46.421,5 171.18,6 6.417,7 0.478,8 4.523,9 4.661,10 3.97,11 4.077,12 5.435,13 4.02,14 5.118,15 5.32,16 4.304,17 4.506,18 5.948,19 4.412,20 5.438,21 5.7,22 4.418,23 4.671,24 6.2,25 4.547,26 5.46,27 5.72,28 4.386,29 4.68,30 6.221,31 4.548,32 5.504,33 5.76,34 4.323,35 4.721,36 6.242,37 4.566,38 5.579,39 5.854,40 4.21,41 4.733,42 6.255,43 4.537,44 5.596,45 5.904,46 4.071,47 4.638,48 6.229,49 4.416,50 5.451,51 5.769,52 4.006,53 4.473,54 6.082,55 4.272,56 0.108,57 1.257,58 20.718,59 8.389,60 11.903,61 12.07,62 0.255,63 2.12,64 38.073,65 14.283,66 25.139,67 21.15,68 0.45,69 2.716,70 52.834,71 18.617,72 42.424,73 28.334,74 0.511,75 2.794,76 54.189,77 18.783,78 42.725,79 28.577,80 0.484,81 2.831,82 56.377,83 20.641,84 44.375,85 30.639,86 0.426,87 2.912,88 60.286,89 23.223,90 44.484,91 34.145,92 0.506,93 2.815,94 61.535,95 22.883,96 52.587,97 34.145,98 0.507,99 2.438,100 53.549,101 18.972,102 47.645,103 28.717,104 4,105 62,106 0.199,107 0.482,108 0.645,109 0.764,110 0.81,111 0.817,112 3.741,113 1.039,114 -4.82,115 -4.73,116 -4.44,121 40.7,123 11,127 6,144 8,145 4,146 2,148 4,176 17,180 10,185 6,187 18,192 9,195 1,197 5,200 12,206 4,209 3,211 8,214 17,222 1,224 6,227 23,232 4,237 2,239 22,244 5,248 1,249 2,251 12,255 1,256 6,260 1,264 4,268 1,269 6,273 1,274 2,277 6,281 3649,282 28.957,283 28.957,284 28.957,285 28.957,286 28.957,287 26.382,288 30.972,289 17.808,290 29.338,291 22.788,292 22.788,293 22.788,294 22.788,295 22.788,296 18.74,297 35.597,298 8.408,299 23.429,300 5.096,301 3.212,302 2.122,303 1.326,304 1.023,305 0.977,306 4.464,312 1,313 1443,314 4.359,318 620.881,322 711.227,325 2.384,326 23.608,329 0.75,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.71,337 85.5,338 642,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.8,346 11.348,347 3.162,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 4.564,354 0.4,355 11.348,356 3.162,357 3.914,358 2.822,359 5.982,360 3.524,361 2.532,362 3.437,363 0.4,364 8.37,365 2.512,366 3.914,367 2.668,368 5.982,369 3.524,370 2.532,371 3.437,373 8.37,374 2.512,375 3.529,376 2.668,377 5.382,378 3.417,379 2.494,380 2.893,382 6.937,383 2.3,384 3.522,385 2.355,386 5.381,387 3.134,388 2.18,389 2.893,391 6.711,392 2.077,393 3.484,394 2.351,395 5.329,396 3.126,397 2.174,398 2.492,400 6.709,401 2.069,402 2.939,403 1.811,404 4.116,405 2.655,406 1.675,407 2.142,409 3.592,410 1.64,411 2.939,412 1.761,413 4.116,414 2.534,415 1.56,416 2.142,418 3.467,419 1.519,420 2.724,421 1.606,422 3.966,423 2.508,424 1.517,425 1.746,427 3.329,428 1.501,429 2.645,430 1.55,431 3.95,432 2.458,433 1.478,434 1.682,436 3.329,437 1.443,438 2.57,439 1.483,440 3.701,441 2.345,442 1.347,443 1.587,445 3.21,446 1.343,447 2.51,448 1.441,449 3.639,450 2.345,451 1.347,452 1.511,454 3.076,455 1.343,456 2.486,457 1.418,458 3.594,459 2.242,460 1.247,461 1.485,463 2.902,464 1.24,465 2.474,466 1.35,467 3.594,468 2.242,469 1.247,470 1.473,472 2.902,473 1.24,474 19.833,475 0.484,476 0.616,477 0.015,478 47,479 1.146,480 21,481 0.512,482 26,483 0.634,484 46.634,485 1.137,486 44.967,487 0.523,488 33.748,489 0.823,490 8.256,491 0.201,492 12.058,493 0.294,494 0.017,496 0.272,501 1.001,502 1.31,503 0.955,504 1.112,505 0.912,506 1.043,507 1.103,508 1.235,509 1.046,510 1.094,511 0.866,512 1.067,513 0.976,514 1.054,515 0.908,516 0.911,517 0.754,518 0.9,519 1.077,520 1.013,521 1.052,522 0.978,523 0.764,524 0.997,525 1.226,526 1.015,527 1.159,528 1.059,529 1.152,530 1.094,531 0.952,532 1.082,533 1.132,534 1.15,535 1.018,536 1.157,537 0.837,538 0.981,539 0.985,540 1.011,541 0.913,542 1.013,543 0.885,544 0.861,545 0.869,546 0.849,547 0.838,548 0.856,549 4.5,550 0.223,551 3.778,552 2.5,553 2.32,554 0.764,555 0.478,556 0.292,557 0.341,558 0.296,559 34594,560 65748,561 2.192,562 52.3,563 12,564 20,567 3,568 4,569 4,570 2,572 1.801,573 2.139,574 3.825,575 0.643,582 114.391,583 1.33,584 3.214,585 4.304,586 5.101,587 5.403,588 5.45,589 3.077,590 4.656,591 5.34,592 4.139,593 3393.79,594 9.398,595 65501.3,600 552.659,601 0.993,602 5.325,603 0.098,604 0.004,605 0.061,606 0.037,607 0.036,608 0.013,609 0.01,610 0.007,611 0.008,612 0.006,613 0.28,614 0.17,615 0.63,616 0.523,617 238.464,618 -0.022,619 -0.074,620 0.061,621 0.022,622 0.002,623 0.042,624 -0.078,625 -0.091,626 -0.036,627 -0.041,628 -0.016,629 -0.037,630 0.036,631 -0.005,632 0.094,633 0.073,634 0.051,635 0.085,636 -0.019,637 0.062,638 -0.042,639 -0.007,640 -0.01,641 -0.022,642 -0.146,643 0.024,644 -0.158,645 -0.064,646 -0.148,647 -0.104,648 -0.089,649 -0.112,650 -0.159,651 -0.146,652 -0.12,653 -0.157,654 0.034,655 -0.071,656 -0.016,657 -0.046,658 -0.022,659 -0.038,660 0.092,661 0.051,662 0.112,663 0.089,664 0.044,665 0.099,666 1.288,667 3.704,668 0.683,669 46.488,670 0.983,671 1.128,672 3.589,673 12.88,674 0.648,675 3.85,676 4.143,677 4.466,678 4.779,679 5.063,680 5.13,681 5.263,682 5.375,683 5.46,684 5.352,685 9.93,686 0.597,687 551.85,688 3.85,689 5.38,690 6.24,691 7.119,692 8.001,693 8.891,694 9.782,695 10.678,696 11.574,697 12.473,698 5.8,701 1,703 2,708 2,714 4,715 8,716 2,720 6,722 22,734 2,741 86,743 22,744 2,745 46,747 91,748 35,749 18,750 4,751 8,756 6,757 12,763 1,767 8,770 11,772 18,773 17,793 45,794 6,795 3,796 6,802 5,808 0.333,809 1,810 1,822 2,829 6,833 4,855 1,857 1,859 2,868 41,875 1,876 17,877 2,881 1,893 1.2,894 1,901 19.167,902 14.967,903 9.222,904 5.975,907 4.582,908 1.51,909 0.999,910 9.544,911 13.569,912 4.06,913 4.644,914 5.288,915 5.928,916 6.546,917 6.877,918 7.257,919 7.603,920 7.905,921 7.728,922 0.9,923 68,924 15.275,926 6.458,927 0.026,929 7.382,931 30.818,933 26.388,936 1.882,937 77.167,941 494.386,942 141.051,943 72.717,945 42.683,948 141.051,949 537.07,950 72.717,952 38.408,953 118.493,954 69.593,955 29.957,957 494.386,959 494.386,960 213.768,961 42.683,964 423.76,965 70.627,966 42.683,968 51.334,969 92.841,970 69.593,972 494.386,973 115.4,974 141.051,977 494.386,978 65.241,979 78.934,980 36.022,981 76.254,982 494.386,983 115.4,984 141.051,986 0.561,987 0.337,988 0.203,989 0.116,990 29,991 11,992 0.143,993 13,994 4,995 1.286,996 5.262,997 406.78,998 0.286,999 28,1000 217.66,1005 28.247,1006 13.854,1007 6.626,1008 4.715,1009 115.4,1010 17.113,1011 9.954,1015 8.06,1017 78.705,1018 750.837,1019 57,1031 84.508,1032 97.005,1034 0.207,1035 0.5,1036 0.67,1037 0.794,1038 0.841,1039 0.848,1040 5.291,1041 1.675,1042 6.188,1043 6.709,1044 4.828,1045 5.333,1046 0.956,1047 7.002,1048 4.775,1049 6.46,1050 1.56,1051 7.734,1052 3.592,1053 4.205,1054 5.13,1055 0.325,1056 7.921,1057 4.123,1058 7.76,1059 1.517,1060 9.392,1061 3.467,1062 6.399,1063 7.58,1064 0.447,1065 11.094,1066 6.297,1067 9.105,1068 1.478,1069 11.122,1070 3.329,1071 6.711,1072 8.321,1073 0.268,1074 12.918,1075 6.587,1076 10.494,1077 1.347,1078 12.899,1079 3.329,1080 8.285,1081 10.208,1082 0.252,1083 15.59,1084 8.144,1085 11.915,1086 1.347,1087 14.709,1088 3.21,1089 9.054,1090 11.374,1091 0.188,1092 17.767,1093 8.894,1094 13.359,1095 1.247,1096 16.542,1097 3.076,1098 10.373,1099 13.039,1100 0.158,1101 20.278,1102 10.196,1103 3.226,1104 1.247,1105 18.392,1106 2.902,1107 11.36,1108 14.399,1109 0.125,1110 22.6,1111 11.165,1112 3.226,1113 11.348,1114 20.253,1115 2.902,1116 12.577,1117 15.975,1118 0.103,1119 25.057,1120 12.366,1121 2.532,1122 11.348,1123 22.125,1124 4.564,1125 13.664,1126 17.422,1127 0.082,1128 27.44,1129 13.434,1130 2.532,1131 8.37,1132 24.004,1133 4.564,1134 14.845,1135 18.961,1136 0.067,1137 29.878,1138 14.597,1139 2.494,1140 8.37,1141 25.89,1142 3.437,1143 15.977,1144 20.447,1145 0.054,1146 32.286,1147 15.71,1148 2.18,1149 6.937,1150 27.781,1151 3.437,1152 17.147,1153 21.973,1154 0.043,1155 34.718,1156 16.861,1157 2.174,1158 6.711,1159 29.676,1160 2.893,1161 18.299,1162 23.476,1163 0.035,1164 37.137,1165 17.993,1166 31324,1167 43328,1168 32.186,1169 55.711,1170 67.151,1171 67.866,1172 69.008,1173 67.31,1174 67.285,1175 84.338,1176 3.2,1177 187.887,1178 65.463,1179 5.608,1180 5.361,1181 6.621,1182 5.247,1183 5.226,1184 7.564,1185 1.2,1186 18.879,1187 5.162,1188 9.161,1189 1.46,1190 1.475,1191 1.5,1192 1.463,1193 1.463,1194 1.833,1195 0.07,1196 4.084,1197 1.423,1198 4.137,1199 4.17,1200 4.094,1201 4.062,1202 6.456,1203 4.066,1204 4.088,1205 4.118,1206 4.052,1207 4.018,1208 4.99,1209 4.023,1210 3.8,1211 3.872,1212 3.667,1213 3.655,1214 4.954,1215 3.643,1216 3.732,1217 3.781,1218 3.617,1219 3.649,1220 4.416,1221 3.635,1222 3.732,1223 3.78,1224 3.615,1225 3.62,1226 4.411,1227 3.616,1228 3.607,1229 3.684,1230 3.445,1231 3.445,1232 4.309,1233 3.433,1234 3.485,1235 3.561,1236 3.328,1237 3.281,1238 4.231,1239 3.281,1240 3.307,1241 3.376,1242 3.158,1243 3.159,1244 4.114,1245 3.15,1246 0.101,1247 0.073,1248 0.148,1249 0.091,1250 0.07,1251 4.64,1252 0.099,1253 3.361,1254 0.017,1255 6.829,1256 0.247,1257 4.207,1258 0.069,1259 3.226,1260 4.564,1261 0.8,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.436,1269 2.164,1270 2.072,1271 2.046,1272 2.158,1273 2.162,1274 1.435,1275 2.163,1276 1.766,1277 1.71,1278 1.998,1279 1.973,1280 1.336,1281 1.985,1282 1.754,1283 1.709,1284 1.95,1285 1.873,1286 1.211,1287 1.902,1288 1.753,1289 1.695,1290 1.948,1291 1.872,1292 1.147,1293 1.902,1294 1.61,1295 1.538,1296 1.873,1297 1.81,1298 1.132,1299 1.836,1300 1.456,1301 1.384,1302 1.732,1303 1.704,1304 0.992,1305 1.717,1306 1.297,1307 1.237,1308 1.549,1309 1.517,1310 0.782,1311 1.532,1312 4.533,1314 5.832,1316 7.351,1318 8.983,1320 10.68,1327 9.704,1328 17.588,1329 7.611,1333 2.422,1340 51.358,1341 114.391,1342 276.424,1343 370.137,1344 438.659,1345 464.659,1346 468.659,1347 63.553,1348 8.988,1349 73.31,1350 73.31,1351 36,1352 12.997,1353 4.524,1354 3.585,1355 59.82,1356 251,1357 172,1358 0.11,1359 310.836,1360 533.69,1361 750.199,1362 155440,1364 27.857,1365 0.679,1366 0.596,1367 27.857,1368 24.428,1369 20.314,1370 0.442,1371 0.346,1372 15.812,1373 19.861,1374 15.523,1375 12.802,1376 20.314,1377 15.935,1378 17.21,1379 0.278,1380 0.19,1381 17.21,1382 11.752,1383 15.029,1384 0.175,1385 0.104,1386 15.029,1387 8.911,1388 13.284,1389 0.113,1390 0.058,1391 13.284,1392 6.816,1393 11.471,1394 0.073,1395 0.033,1396 11.471,1397 5.185,1398 0.181,1399 124.928,1400 0.176,1401 37.427,1402 0.281,1403 216,1404 455.751,1405 227.07,1406 452.453,1407 646.84,1408 432,1409 256,1410 490.642,1411 268.209,1412 500.075,1413 742.63,1414 478,1415 9.924}
{0 CHEMBL499722,1 1.352,2 22.913,3 6.535,4 42.701,5 188.964,6 6.01,7 0.25,8 4.695,9 4.839,10 4.056,11 4.167,12 5.613,13 4.103,14 5.299,15 5.521,16 4.33,17 4.552,18 6.129,19 4.445,20 5.595,21 5.858,22 4.41,23 4.729,24 6.362,25 4.589,26 5.699,27 5.972,28 4.396,29 4.78,30 6.467,31 4.617,32 5.736,33 6.018,34 4.381,35 4.802,36 6.51,37 4.627,38 5.751,39 6.035,40 4.31,41 4.792,42 6.502,43 4.607,44 5.721,45 6.012,46 4.209,47 4.76,48 6.441,49 4.544,50 5.687,51 6.006,52 4.123,53 4.669,54 6.33,55 4.445,56 0.114,57 1.451,58 26.427,59 10.394,60 15.772,61 15.067,62 0.499,63 2.29,64 47.457,65 16.375,66 41.688,67 24.682,68 0.577,69 2.831,70 62.332,71 20.926,72 56.078,73 31.933,74 0.78,75 2.997,76 68.763,77 23.184,78 67.81,79 35.07,80 0.694,81 3.056,82 70.656,83 24.539,84 76.281,85 36.732,86 0.77,87 3.031,88 71.659,89 24.517,90 83.412,91 36.725,92 0.878,93 2.92,94 68.77,95 25.115,96 82.595,97 36.974,98 0.525,99 2.739,100 65.105,101 23.292,102 55.992,103 35.178,104 53,105 60,106 0.197,107 0.434,108 0.652,109 0.738,110 0.743,111 0.743,112 3.852,113 1.108,114 -4.8,115 -4.72,116 -4.43,121 35.8,122 2,123 12,126 2,127 6,129 2,144 8,145 2,146 2,160 2,176 16,180 12,183 2,185 6,187 14,192 10,197 6,200 8,205 2,206 14,211 2,214 10,219 10,223 1,224 2,227 16,232 4,239 22,243 2,244 2,247 4,249 2,251 22,256 2,261 2,264 12,268 1,269 12,274 6,277 7,281 5856,282 31.584,283 31.584,284 31.584,285 31.584,286 31.584,287 29.772,288 42.214,289 19.444,290 32.272,291 23.484,292 23.484,293 23.484,294 23.484,295 23.484,296 20.657,297 53.278,298 8.967,299 24.303,300 5.376,301 3.749,302 2.259,303 1.67,304 1.632,305 1.632,306 4.537,312 1,313 2182,314 5.745,318 627.213,325 4.098,326 36.597,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 98,338 1054,339 4.206,340 3.594,341 6.159,342 3.84,343 2.875,344 3.805,345 1.907,346 9.118,347 2.773,348 4.206,349 3.587,350 6.159,351 3.84,352 2.875,353 3.805,354 1.907,355 9.118,356 2.773,357 3.821,358 3.188,359 5.594,360 3.706,361 2.728,362 2.938,363 0.916,364 7.7,365 2.662,366 3.714,367 3.188,368 5.368,369 3.486,370 2.496,371 2.873,372 0.916,373 7.065,374 2.461,375 3.433,376 2.729,377 5.284,378 3.307,379 2.381,380 2.47,381 0.86,382 6.713,383 2.238,384 3.429,385 2.729,386 5.284,387 3.302,388 2.378,389 2.467,390 0.86,391 6.713,392 2.195,393 3.395,394 2.674,395 4.871,396 3.206,397 2.187,398 2.442,399 0.172,400 5.656,401 2.181,402 2.986,403 2.243,404 4.691,405 2.905,406 1.911,407 2.088,408 0.172,409 5.15,410 1.89,411 2.917,412 1.959,413 4.316,414 2.601,415 1.613,416 2.088,417 0.149,418 4.037,419 1.592,420 2.917,421 1.959,422 4.315,423 2.576,424 1.591,425 1.99,426 0.149,427 4.036,428 1.567,429 2.845,430 1.694,431 3.685,432 2.474,433 1.517,434 1.953,436 3.238,437 1.441,438 2.843,439 1.693,440 3.671,441 2.472,442 1.508,443 1.947,445 3.207,446 1.441,447 2.599,448 1.505,449 3.614,450 2.406,451 1.412,452 1.593,454 3.007,455 1.402,456 2.587,457 1.505,458 3.612,459 2.402,460 1.407,461 1.576,463 3.004,464 1.398,465 2,466 1.092,467 3.414,468 2,469 1,470 1,472 2.275,473 1,474 21.933,475 0.477,476 0.724,477 0.016,478 44,479 0.957,480 16,481 0.348,482 28,483 0.609,484 58.892,485 1.28,486 54.867,487 0.518,488 34.107,489 0.741,490 8.083,491 0.176,492 14.365,493 0.312,494 0.122,496 0.219,501 0.813,502 1.561,503 1.034,504 1.376,505 0.594,506 1.246,507 1.058,508 1.226,509 1.099,510 1.131,511 0.622,512 1.114,513 1.079,514 1.097,515 1.052,516 1.043,517 0.989,518 1.034,519 1.102,520 1.049,521 1.071,522 1.034,523 1.079,524 1.045,525 1.039,526 1.023,527 1.027,528 1.031,529 1.364,530 1.028,531 1.211,532 0.965,533 1.095,534 0.994,535 1.318,536 1.026,537 0.805,538 0.986,539 1.049,540 1.069,541 0.87,542 1.094,543 0.634,544 0.976,545 0.854,546 0.979,547 0.705,548 0.949,549 8,550 0.264,551 3.556,552 2.25,553 2.107,554 0.986,555 0.728,556 0.479,557 0.279,558 0.282,559 50666,560 104678,561 1.995,562 56.6,563 8,564 28,567 2,568 4,569 18,572 1.823,573 1.89,574 4.418,575 0.04,582 143.325,583 1.352,584 2.979,585 4.469,586 5.058,587 5.096,588 5.096,589 3.795,590 4.317,591 5.496,592 4.712,593 4876.46,594 9.688,595 115492,600 713.16,601 1.264,602 5.465,603 0.167,604 0.006,605 0.059,606 0.036,607 0.035,608 0.017,609 0.013,610 0.01,611 0.006,612 0.006,613 0.356,614 0.17,615 0.75,616 0.81,617 286.656,618 0.014,619 -0.188,620 0.048,621 -0.089,622 0.02,623 -0.027,624 -0.006,625 -0.039,626 -0.041,627 -0.039,628 0.058,629 -0.044,630 -0.076,631 -0.017,632 -0.032,633 -0.026,634 -0.044,635 -0.021,636 -0.036,637 -0.022,638 -0.059,639 -0.038,640 -0.056,641 -0.049,642 -0.05,643 -0.025,644 -0.035,645 -0.034,646 -0.088,647 -0.033,648 -0.125,649 0.016,650 -0.095,651 -0.013,652 -0.119,653 -0.045,654 0.071,655 -0.024,656 -0.084,657 -0.069,658 0.004,659 -0.097,660 0.045,661 -0.062,662 0.073,663 -0.017,664 0.023,665 0.025,666 1.501,667 5.575,668 0.391,669 90.752,670 0.985,671 1.136,672 3.574,673 12.774,674 0.615,675 3.892,676 4.111,677 4.29,678 4.443,679 4.575,680 4.489,681 4.489,682 4.466,683 4.419,684 4.394,685 13.79,686 0.563,687 637.02,688 3.892,689 5.38,690 6.176,691 6.997,692 7.807,693 8.631,694 9.447,695 10.273,696 11.091,697 11.917,698 3.8,701 2,705 2,715 8,720 4,722 12,739 2,741 106,743 14,744 2,745 48,747 108,748 38,749 12,750 4,751 8,756 3,757 3,763 2,767 6,770 14,772 14,773 24,777 2,782 2,786 2,793 60,794 8,795 2,796 8,802 4,808 1,809 4,829 3,843 2,855 2,859 3,864 4,868 46,876 18,877 2,878 2,880 2,881 2,893 3.8,896 2,898 2,901 24.333,902 19.4,903 10.889,904 7.183,907 1.638,908 1.207,909 0.918,910 18.333,911 9.549,912 4.043,913 4.431,914 4.792,915 5.163,916 5.524,917 5.372,918 5.422,919 5.434,920 5.412,921 5.332,922 0.933,923 63,924 17.169,926 6.867,927 0.026,929 7.536,931 34.066,933 27.279,936 2.036,937 93.667,941 682.724,942 184.542,943 42.27,945 72.29,948 184.542,949 755.014,950 42.27,951 39.417,952 79.07,953 75.81,954 59.699,955 45.106,957 682.724,959 682.724,960 226.813,961 72.29,964 470.844,965 284.169,968 102.969,969 123.843,972 682.724,973 114.56,974 184.542,977 682.724,978 69.316,979 121.475,980 36.022,981 72.29,982 682.724,983 114.56,984 184.542,986 0.55,987 0.319,988 0.168,989 0.089,990 19,991 10,992 0.204,993 22,995 1,996 5.807,997 400.752,999 18,1000 204.084,1005 38.011,1006 22.186,1007 14.478,1009 114.56,1010 16.409,1015 4.312,1017 36.022,1018 981.826,1019 56,1024 25.15,1028 0.33,1031 104.457,1032 120.456,1034 0.201,1035 0.443,1036 0.664,1037 0.752,1038 0.757,1039 0.757,1040 5.247,1041 1.911,1042 6.098,1043 5.656,1044 4.796,1045 5.118,1046 2.948,1047 6.786,1048 4.733,1049 6.348,1050 1.613,1051 7.579,1052 5.15,1053 4.111,1054 4.635,1055 2.262,1056 7.455,1057 4.009,1058 7.583,1059 1.591,1060 9.157,1061 4.037,1062 6.271,1063 7.021,1064 3.679,1065 10.483,1066 6.142,1067 8.846,1068 1.517,1069 10.793,1070 4.036,1071 6.431,1072 7.392,1073 3.724,1074 11.999,1075 6.251,1076 10.144,1077 1.508,1078 12.468,1079 3.238,1080 7.987,1081 9.257,1082 4.748,1083 14.504,1084 7.791,1085 11.465,1086 1.412,1087 14.17,1088 3.207,1089 8.564,1090 10.052,1091 5.102,1092 16.386,1093 8.313,1094 12.804,1095 1.407,1096 15.892,1097 3.007,1098 9.845,1099 11.691,1100 5.947,1101 18.7,1102 9.582,1103 2.875,1104 1,1105 17.629,1106 3.004,1107 10.641,1108 12.713,1109 6.442,1110 20.751,1111 10.325,1112 2.875,1113 9.118,1114 19.377,1115 2.275,1116 11.792,1117 14.233,1118 7.195,1119 22.993,1120 11.459,1121 2.728,1122 9.118,1123 21.135,1124 3.805,1125 12.703,1126 15.382,1127 7.761,1128 25.123,1129 12.323,1130 2.496,1131 7.7,1132 22.9,1133 3.805,1134 13.792,1135 16.833,1136 8.464,1137 27.339,1138 13.39,1139 2.381,1140 7.065,1141 24.672,1142 2.938,1143 14.765,1144 18.055,1145 9.068,1146 29.508,1147 14.319,1148 2.378,1149 6.713,1150 26.45,1151 2.873,1152 15.825,1153 19.463,1154 9.744,1155 31.715,1156 15.354,1157 2.187,1158 6.713,1159 28.232,1160 2.47,1161 16.83,1162 20.73,1163 10.367,1164 33.903,1165 16.318,1166 49404,1167 71158,1168 31.781,1169 65.16,1170 67.07,1171 69.127,1172 70.093,1173 66.919,1174 66.996,1175 77.78,1176 16.019,1177 173.547,1178 64.92,1179 5.206,1180 5.594,1181 5.934,1182 4.874,1183 4.875,1184 6.805,1185 3.306,1186 15.307,1187 4.773,1188 24.966,1189 1.397,1190 1.44,1191 1.46,1192 1.394,1193 1.396,1194 1.62,1195 0.334,1196 3.616,1197 1.353,1198 3.993,1199 4.039,1200 3.91,1201 3.89,1202 7.431,1203 3.89,1204 3.925,1205 3.956,1206 3.861,1207 3.845,1208 7.427,1209 3.844,1210 3.903,1211 3.95,1212 3.8,1213 3.777,1214 4.877,1215 3.773,1216 3.766,1217 3.823,1218 3.64,1219 3.621,1220 4.847,1221 3.613,1222 3.746,1223 3.806,1224 3.602,1225 3.615,1226 4.397,1227 3.602,1228 3.626,1229 3.692,1230 3.508,1231 3.425,1232 4.392,1233 3.432,1234 3.585,1235 3.655,1236 3.445,1237 3.404,1238 4.369,1239 3.403,1240 3.43,1241 3.507,1242 3.265,1243 3.229,1244 4.269,1245 3.228,1246 0.088,1247 0.075,1248 0.128,1249 0.08,1250 0.06,1251 4.206,1252 0.079,1253 3.594,1254 0.04,1255 6.159,1256 0.19,1257 3.84,1258 0.058,1259 2.875,1260 3.805,1261 1.907,1262 9.118,1263 2.773,1264 1.914,1265 1.887,1266 2.089,1267 2.057,1268 1.478,1269 2.07,1270 1.913,1271 1.887,1272 2.047,1273 2.031,1274 1.361,1275 2.038,1276 1.887,1277 1.833,1278 2.045,1279 2.028,1280 1.358,1281 2.035,1282 1.763,1283 1.705,1284 1.984,1285 1.931,1286 1.195,1287 1.95,1288 1.749,1289 1.688,1290 1.977,1291 1.911,1292 1.193,1293 1.936,1294 1.588,1295 1.519,1296 1.845,1297 1.812,1298 1.034,1299 1.822,1300 1.571,1301 1.499,1302 1.84,1303 1.782,1304 1.031,1305 1.805,1306 1.406,1307 1.335,1308 1.681,1309 1.647,1310 0.911,1311 1.661,1312 4.575,1314 5.82,1316 7.248,1318 8.759,1320 10.315,1322 7.83,1328 16.818,1329 6.491,1330 11.001,1332 0.462,1333 4.864,1340 59.695,1341 143.325,1342 315.747,1343 473.701,1344 536.14,1345 540.14,1346 540.14,1347 142.597,1348 7.911,1349 83.14,1350 83.14,1351 18,1352 12.495,1353 3.907,1354 3.17,1355 110.945,1356 391,1357 296,1358 0.131,1359 372.842,1360 665.12,1361 901.495,1362 44406,1364 32.987,1365 0.717,1366 0.631,1367 32.987,1368 29.029,1369 22.448,1370 0.468,1371 0.369,1372 17.513,1373 21.647,1374 17.005,1375 14.243,1376 22.448,1377 17.724,1378 18.29,1379 0.305,1380 0.211,1381 18.29,1382 12.666,1383 14.665,1384 0.204,1385 0.129,1386 14.665,1387 9.281,1388 11.38,1389 0.135,1390 0.076,1391 11.38,1392 6.424,1393 8.711,1394 0.091,1395 0.047,1396 8.711,1397 4.497,1398 0.224,1399 140.113,1400 0.177,1401 42.557,1402 0.316,1403 216,1404 546.898,1405 234.456,1406 518.137,1407 693.08,1408 488,1409 240,1410 482.533,1411 257.962,1412 489.596,1413 700,1414 458,1415 5.068}
{0 CHEMBL499825,1 1.352,2 21.13,3 6.805,4 46.303,5 188.656,6 6.01,7 0.25,8 4.695,9 4.839,10 4.056,11 4.167,12 5.613,13 4.103,14 5.299,15 5.521,16 4.33,17 4.552,18 6.127,19 4.445,20 5.595,21 5.858,22 4.424,23 4.729,24 6.364,25 4.591,26 5.702,27 5.973,28 4.424,29 4.785,30 6.475,31 4.629,32 5.752,33 6.03,34 4.442,35 4.823,36 6.554,37 4.657,38 5.781,39 6.059,40 4.378,41 4.827,42 6.573,43 4.652,44 5.763,45 6.049,46 4.271,47 4.804,48 6.545,49 4.596,50 5.739,51 6.055,52 4.169,53 4.724,54 6.387,55 4.499,56 0.114,57 1.451,58 26.427,59 10.394,60 15.776,61 15.067,62 0.499,63 2.29,64 47.457,65 16.375,66 41.768,67 24.682,68 0.594,69 2.838,70 62.395,71 20.976,72 56.522,73 31.944,74 0.796,75 3.031,76 69.221,77 22.907,78 69.272,79 34.916,80 0.774,81 3.127,82 72.097,83 24.629,84 83.13,85 37.14,86 0.823,87 3.13,88 74.306,89 25.088,90 90.605,91 37.529,92 0.947,93 3.048,94 72.144,95 25.949,96 109.197,97 38.211,98 0.568,99 2.885,100 68.654,101 24.604,102 60.428,103 37.058,104 53,105 60,106 0.197,107 0.434,108 0.652,109 0.743,110 0.76,111 0.76,112 3.852,113 1.109,114 -4.8,115 -4.72,116 -4.43,121 35.8,122 2,123 12,126 2,127 6,129 2,144 8,145 2,146 2,160 2,176 17,180 12,183 2,185 4,187 14,192 10,196 1,197 6,200 7,205 2,206 12,211 4,214 8,219 10,222 2,224 4,227 14,232 6,237 2,239 22,243 3,244 4,247 2,249 2,251 23,256 4,261 2,264 16,269 10,274 4,277 11,281 6096,282 31.637,283 31.637,284 31.637,285 31.637,286 31.637,287 29.824,288 40.17,289 19.529,290 32.318,291 23.489,292 23.489,293 23.489,294 23.489,295 23.489,296 20.662,297 50.349,298 8.987,299 24.298,300 5.376,301 3.749,302 2.259,303 1.632,304 1.519,305 1.519,306 4.538,312 1,313 2010,314 5.745,318 592.824,325 3.864,326 37.631,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 98,338 972,339 4.206,340 3.616,341 6.181,342 3.87,343 2.899,344 3.805,345 1.907,346 9.224,347 2.81,348 4.206,349 3.574,350 6.159,351 3.84,352 2.875,353 3.805,354 1.907,355 9.118,356 2.773,357 3.955,358 3.188,359 6.159,360 3.84,361 2.875,362 3.041,363 0.916,364 9.118,365 2.773,366 3.658,367 3.188,368 5.284,369 3.391,370 2.396,371 2.828,372 0.916,373 6.713,374 2.388,375 3.448,376 2.855,377 5.284,378 3.307,379 2.381,380 2.518,381 0.86,382 6.713,383 2.246,384 3.429,385 2.729,386 5.139,387 3.298,388 2.362,389 2.467,390 0.86,391 6.382,392 2.192,393 3.421,394 2.728,395 4.926,396 3.213,397 2.193,398 2.465,399 0.172,400 5.734,401 2.182,402 2.917,403 1.959,404 4.316,405 2.639,406 1.655,407 2.088,408 0.172,409 4.044,410 1.626,411 2.917,412 1.959,413 4.316,414 2.607,415 1.619,416 2.088,417 0.149,418 4.037,419 1.598,420 2.845,421 1.711,422 4.22,423 2.482,424 1.532,425 1.954,426 0.149,427 3.891,428 1.446,429 2.845,430 1.694,431 3.694,432 2.477,433 1.522,434 1.953,436 3.257,437 1.444,438 2.626,439 1.676,440 3.664,441 2.425,442 1.432,443 1.627,445 3.159,446 1.421,447 2.603,448 1.505,449 3.62,450 2.422,451 1.427,452 1.598,454 3.022,455 1.419,456 2.434,457 1.505,458 3.611,459 2.381,460 1.384,461 1.415,463 2.999,464 1.377,465 2.421,466 1.481,467 3.592,468 2.353,469 1.359,470 1.414,472 2.954,473 1.347,474 21.933,475 0.477,476 0.707,477 0.015,478 44,479 0.957,480 16,481 0.348,482 28,483 0.609,484 59.906,485 1.302,486 54.867,487 0.518,488 34.929,489 0.759,490 8.07,491 0.175,492 14.395,493 0.313,494 0.122,496 0.219,501 0.813,502 1.561,503 1.034,504 1.376,505 0.593,506 1.246,507 1.058,508 1.226,509 1.099,510 1.131,511 0.625,512 1.114,513 1.054,514 1.094,515 1.034,516 1.04,517 0.979,518 1.027,519 1.136,520 1.064,521 1.076,522 1.027,523 1.094,524 1.038,525 1.004,526 1.038,527 1.01,528 1.027,529 1.302,530 1.018,531 1.319,532 0.968,533 1.116,534 0.996,535 1.519,536 1.028,537 0.924,538 0.988,539 1.084,540 1.071,541 1.022,542 1.1,543 0.677,544 0.977,545 0.877,546 0.986,547 0.812,548 0.961,549 7.5,550 0.297,551 3.778,552 2.25,553 2.267,554 1.042,555 0.769,556 0.51,557 0.254,558 0.242,559 47138,560 96990,561 1.995,562 56.6,563 12,564 28,567 2,568 4,569 14,572 1.827,573 1.89,574 4.31,575 0.04,582 143.325,583 1.352,584 2.979,585 4.469,586 5.096,587 5.209,588 5.209,589 3.708,590 4.437,591 5.496,592 4.593,593 4753.54,594 9.709,595 107978,600 713.16,601 1.264,602 5.465,603 0.156,604 0.006,605 0.063,606 0.035,607 0.037,608 0.017,609 0.013,610 0.01,611 0.006,612 0.005,613 0.348,614 0.17,615 0.75,616 0.81,617 283.433,618 0.014,619 -0.188,620 0.048,621 -0.089,622 0.02,623 -0.027,624 -0.006,625 -0.039,626 -0.041,627 -0.039,628 0.055,629 -0.044,630 -0.05,631 -0.015,632 -0.013,633 -0.024,634 -0.034,635 -0.014,636 -0.043,637 -0.025,638 -0.057,639 -0.035,640 -0.064,641 -0.046,642 0.001,643 -0.028,644 -0.011,645 -0.031,646 -0.032,647 -0.023,648 -0.139,649 0.021,650 -0.102,651 -0.014,652 -0.125,653 -0.047,654 0.043,655 -0.02,656 -0.106,657 -0.072,658 0.048,659 -0.105,660 0.031,661 -0.062,662 0.054,663 -0.021,664 -0.002,665 0.014,666 1.555,667 5.823,668 0.391,669 85.762,670 0.985,671 1.136,672 3.574,673 12.774,674 0.615,675 3.892,676 4.111,677 4.304,678 4.466,679 4.605,680 4.511,681 4.477,682 4.443,683 4.394,684 4.394,685 12.735,686 0.563,687 637.02,688 3.892,689 5.38,690 6.18,691 7.004,692 7.82,693 8.649,694 9.472,695 10.302,696 11.128,697 11.959,698 3.8,701 2,705 2,715 8,720 4,722 12,739 2,741 106,743 14,744 2,745 48,747 108,748 38,749 12,750 4,751 8,756 3,757 3,763 2,767 6,770 14,772 14,773 24,777 2,782 2,786 2,793 60,794 8,795 2,796 8,802 4,808 1,809 4,829 3,843 2,855 2,859 3,864 4,868 46,876 18,877 2,878 2,880 2,881 2,893 3.8,896 2,898 2,901 24.333,902 19.4,903 10.917,904 7.211,907 1.638,908 1.207,909 0.918,910 18.333,911 9.549,912 4.043,913 4.431,914 4.8,915 5.175,916 5.544,917 5.39,918 5.422,919 5.417,920 5.376,921 5.332,922 0.929,923 64,924 17.186,926 6.888,927 0.026,929 7.536,931 34.066,933 27.282,936 2.036,937 93.667,941 682.724,942 184.542,943 42.27,945 72.29,948 184.542,949 755.014,950 42.27,951 39.417,952 79.07,953 75.81,954 59.699,955 45.106,957 682.724,959 682.724,960 226.813,961 72.29,964 517.928,965 237.085,968 102.969,969 123.843,972 682.724,973 114.56,974 184.542,977 682.724,978 69.316,979 121.475,980 36.022,981 72.29,982 682.724,983 114.56,984 184.542,986 0.548,987 0.321,988 0.172,989 0.092,990 19,991 10,992 0.204,993 22,995 1,996 5.696,997 409.425,999 18,1000 208.084,1005 38.011,1006 22.186,1007 14.07,1009 114.56,1010 16.393,1015 4.287,1017 36.022,1018 981.826,1019 56,1024 25.647,1028 0.224,1031 104.457,1032 120.456,1034 0.201,1035 0.443,1036 0.664,1037 0.757,1038 0.774,1039 0.774,1040 5.247,1041 1.655,1042 6.103,1043 5.734,1044 4.796,1045 5.118,1046 2.948,1047 6.804,1048 4.733,1049 6.348,1050 1.619,1051 7.591,1052 4.044,1053 4.111,1054 4.635,1055 2.262,1056 7.516,1057 4.009,1058 7.585,1059 1.532,1060 9.181,1061 4.037,1062 6.279,1063 7.024,1064 3.679,1065 10.567,1066 6.149,1067 8.852,1068 1.522,1069 10.834,1070 3.891,1071 6.463,1072 7.405,1073 3.724,1074 12.147,1075 6.282,1076 10.155,1077 1.432,1078 12.528,1079 3.257,1080 8.019,1081 9.266,1082 4.748,1083 14.676,1084 7.821,1085 11.481,1086 1.427,1087 14.252,1088 3.159,1089 8.631,1090 10.068,1091 5.102,1092 16.613,1093 8.378,1094 12.827,1095 1.384,1096 15.996,1097 3.022,1098 9.913,1099 11.702,1100 5.947,1101 18.952,1102 9.646,1103 2.899,1104 1.359,1105 17.756,1106 2.999,1107 10.744,1108 12.727,1109 6.442,1110 21.044,1111 10.425,1112 2.875,1113 9.224,1114 19.527,1115 2.954,1116 11.9,1117 14.244,1118 7.195,1119 23.309,1120 11.562,1121 2.875,1122 9.118,1123 21.307,1124 3.805,1125 12.842,1126 15.392,1127 7.761,1128 25.468,1129 12.456,1130 2.396,1131 9.118,1132 23.094,1133 3.805,1134 13.94,1135 16.841,1136 8.464,1137 27.703,1138 13.531,1139 2.381,1140 6.713,1141 24.887,1142 3.041,1143 14.937,1144 18.063,1145 9.068,1146 29.892,1147 14.486,1148 2.362,1149 6.713,1150 26.684,1151 2.828,1152 16.01,1153 19.47,1154 9.744,1155 32.115,1156 15.531,1157 2.193,1158 6.382,1159 28.484,1160 2.518,1161 17.036,1162 20.735,1163 10.367,1164 34.318,1165 16.518,1166 46045,1167 66199,1168 31.781,1169 65.16,1170 67.084,1171 69.137,1172 70.259,1173 66.928,1174 67.007,1175 77.793,1176 16.019,1177 174.05,1178 64.932,1179 5.206,1180 5.616,1181 5.956,1182 4.906,1183 4.899,1184 6.805,1185 3.306,1186 15.545,1187 4.81,1188 24.672,1189 1.398,1190 1.44,1191 1.464,1192 1.394,1193 1.396,1194 1.621,1195 0.334,1196 3.626,1197 1.353,1198 3.994,1199 4.04,1200 3.911,1201 3.891,1202 7.431,1203 3.89,1204 3.925,1205 3.956,1206 3.861,1207 3.845,1208 7.426,1209 3.844,1210 3.905,1211 3.952,1212 3.808,1213 3.779,1214 4.877,1215 3.776,1216 3.76,1217 3.818,1218 3.628,1219 3.618,1220 4.847,1221 3.609,1222 3.747,1223 3.807,1224 3.603,1225 3.616,1226 4.398,1227 3.603,1228 3.612,1229 3.679,1230 3.491,1231 3.416,1232 4.392,1233 3.421,1234 3.595,1235 3.663,1236 3.456,1237 3.41,1238 4.375,1239 3.411,1240 3.398,1241 3.471,1242 3.233,1243 3.204,1244 4.269,1245 3.199,1246 0.088,1247 0.075,1248 0.129,1249 0.081,1250 0.06,1251 4.206,1252 0.079,1253 3.616,1254 0.04,1255 6.181,1256 0.192,1257 3.87,1258 0.059,1259 2.899,1260 3.805,1261 1.907,1262 9.224,1263 2.81,1264 1.914,1265 1.887,1266 2.09,1267 2.06,1268 1.478,1269 2.071,1270 1.913,1271 1.887,1272 2.047,1273 2.031,1274 1.36,1275 2.038,1276 1.887,1277 1.834,1278 2.045,1279 2.028,1280 1.359,1281 2.035,1282 1.761,1283 1.702,1284 1.983,1285 1.926,1286 1.194,1287 1.947,1288 1.75,1289 1.69,1290 1.979,1291 1.912,1292 1.194,1293 1.937,1294 1.582,1295 1.512,1296 1.843,1297 1.802,1298 1.033,1299 1.816,1300 1.576,1301 1.505,1302 1.842,1303 1.789,1304 1.032,1305 1.81,1306 1.384,1307 1.313,1308 1.673,1309 1.617,1310 0.908,1311 1.639,1312 4.575,1314 5.82,1316 7.252,1318 8.772,1320 10.338,1322 7.82,1328 16.824,1329 6.523,1330 11.02,1332 0.074,1333 4.855,1340 59.695,1341 143.325,1342 315.747,1343 473.701,1344 540.14,1345 552.14,1346 552.14,1347 145.331,1348 7.911,1349 83.14,1350 83.14,1351 18,1352 12.532,1353 3.907,1354 3.17,1355 110.506,1356 351,1357 296,1358 0.143,1359 372.842,1360 665.12,1361 901.495,1362 44406,1364 32.987,1365 0.717,1366 0.631,1367 32.987,1368 29.029,1369 22.465,1370 0.468,1371 0.37,1372 17.53,1373 21.668,1374 17.027,1375 14.269,1376 22.465,1377 17.741,1378 18.208,1379 0.303,1380 0.21,1381 18.208,1382 12.615,1383 14.704,1384 0.201,1385 0.127,1386 14.704,1387 9.282,1388 11.478,1389 0.133,1390 0.075,1391 11.478,1392 6.477,1393 8.892,1394 0.09,1395 0.046,1396 8.892,1397 4.525,1398 0.24,1399 140.214,1400 0.177,1401 42.088,1402 0.351,1403 216,1404 546.898,1405 234.456,1406 518.069,1407 693.64,1408 488,1409 241,1410 483.533,1411 259.322,1412 490.493,1413 702.91,1414 459,1415 5.381}
{0 CHEMBL50,1 1.516,2 7.909,3 1.504,4 2.261,5 75.428,6 9.445,7 0.5,8 3.653,9 3.689,10 3.355,11 3.153,12 5.103,13 3.218,14 4.032,15 4.068,16 3.775,17 3.526,18 5.509,19 3.594,20 4.365,21 4.421,22 3.954,23 3.633,24 6.023,25 3.716,26 4.422,27 4.517,28 3.873,29 3.534,30 6.107,31 3.61,32 4.282,33 4.39,34 3.634,35 3.406,36 5.853,37 3.461,38 4.126,39 4.237,40 3.499,41 3.263,42 5.787,43 3.306,44 3.986,45 4.108,46 3.344,47 3.087,48 5.728,49 3.127,50 3.824,51 3.947,52 2.987,53 2.808,54 5.451,55 2.845,56 0.345,57 0.385,58 4.328,59 2.984,60 53.135,61 2.053,62 0.381,63 0.581,64 5.027,65 4.56,66 53.625,67 3.695,68 0.881,69 0.76,70 10.022,71 5.938,72 127.752,73 4.657,74 1.143,75 0.783,76 14.195,77 6.214,78 149.904,79 5.501,80 0.944,81 0.685,82 12.853,83 5.449,84 133.42,85 4.508,86 0.817,87 0.59,88 10.793,89 4.732,90 129.32,91 4.314,92 0.708,93 0.512,94 9.733,95 4.15,96 117.464,97 4.112,98 0.623,99 0.422,100 8.482,101 3.367,102 103.425,103 2.735,104 37,105 36,106 0.281,107 0.568,108 0.723,109 0.858,110 0.916,111 0.927,112 3.148,113 0.765,114 -1.46,115 -1.54,116 -1.59,121 46.9,140 2,144 5,145 2,146 5,159 1,176 3,180 4,185 6,187 5,192 2,195 2,196 1,197 6,200 1,205 1,206 5,209 3,210 1,211 6,214 2,219 2,222 1,223 1,224 3,227 4,232 1,235 2,236 1,237 2,239 3,247 1,248 2,249 6,251 2,259 1,261 4,264 1,273 2,274 1,281 564,282 14.223,283 14.223,284 14.223,285 14.223,286 14.223,287 12.238,288 14.586,289 7.94,290 14.466,291 11.764,292 11.764,293 11.764,294 11.764,295 11.764,296 8.768,297 17.089,298 3.736,299 12.246,300 3.484,301 1.939,302 1.101,303 0.375,304 0.063,306 3.818,310 1,311 1,312 1,313 368,314 2.236,318 165.599,322 88.661,325 1.198,326 49.811,328 1,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 51,338 174,339 4.645,340 3.756,341 6.925,342 4.266,343 3.291,344 4.292,345 0.86,346 11.548,347 3.209,348 4.298,349 3.116,350 6.384,351 3.875,352 2.903,353 3.961,355 9.691,356 2.818,357 4.028,358 2.985,359 5.898,360 3.577,361 2.625,362 3.534,364 8.016,365 2.49,366 3.629,367 2.878,368 5.542,369 3.269,370 2.294,371 2.954,373 6.971,374 2.22,375 3.289,376 2.337,377 5.06,378 2.889,379 1.958,380 2.533,382 5.813,383 1.813,384 3.264,385 2.252,386 4.989,387 2.851,388 1.899,389 2.502,391 5.561,392 1.792,393 2.828,394 1.902,395 4.451,396 2.372,397 1.414,398 1.951,400 3.901,401 1.347,402 2.806,403 1.712,404 4.039,405 2.318,406 1.354,407 1.818,409 3.505,410 1.286,411 1.693,412 1.262,413 3.355,414 1.343,415 0.422,416 0.489,418 1.037,419 0.38,420 1.403,421 0.598,422 3.062,423 1.021,424 0.101,425 0.122,427 0.235,428 0.091,429 1.263,430 0.438,431 2.669,432 0.88,433 -0.095,434 -0.126,436 -0.248,437 -0.091,438 0.972,439 -0.047,440 2.542,441 0.578,442 -0.356,443 -0.448,445 -0.97,446 -0.328,447 0.726,448 -0.081,449 2.374,450 0.325,451 -0.588,452 -0.682,454 -1.442,455 -0.519,456 0.495,457 -0.379,458 2.129,459 0.161,460 -0.742,461 -0.925,463 -1.901,464 -0.672,465 0.132,466 -0.684,467 1.888,468 -0.233,469 -1.179,470 -1.414,472 -3.202,473 -1.084,474 9.833,475 0.447,476 0.792,477 0.036,478 31.5,479 1.432,480 17.5,481 0.795,482 14,483 0.636,484 13.685,485 0.622,486 23.767,487 0.743,488 25.318,489 1.151,490 6.521,491 0.296,492 3.859,493 0.175,494 0.203,496 0.508,501 1.065,502 0.746,503 0.762,504 0.708,505 1.049,506 0.614,507 0.775,508 1.184,509 0.566,510 1.147,511 0.678,512 0.881,513 0.974,514 1.157,515 0.872,516 1.139,517 0.9,518 1.015,519 0.959,520 1.013,521 0.944,522 1.01,523 0.906,524 0.983,525 1.184,526 0.942,527 1.157,528 0.943,529 1.163,530 1.002,531 0.945,532 0.989,533 1.049,534 1.004,535 1.065,536 1.057,537 0.823,538 1.052,539 0.966,540 1.069,541 0.866,542 1.088,543 1.34,544 1.117,545 1.461,546 1.139,547 1.426,548 1.289,549 5.5,550 0.012,551 3.333,552 2.375,553 2.133,554 0.931,555 0.669,556 0.311,557 0.197,558 0.117,559 4248,560 17512,561 1.991,562 31.3,564 5,567 5,572 1.65,573 1.784,574 2.989,575 2.779,577 1,579 1,582 48.526,583 1.516,584 3.061,585 3.899,586 4.625,587 4.938,588 5,589 2.461,590 3.971,591 4.433,592 3.105,593 717.251,594 7.641,595 7533.79,596 1,597 1,599 1,600 160,601 1.539,602 4.344,603 0.229,604 0.004,605 0.093,606 0.059,607 0.061,608 0.033,609 0.028,610 0.016,611 0.015,612 0.015,613 0.553,614 0.33,615 1,616 0.714,617 98.502,618 -0.264,619 0.28,620 -0.123,621 0.291,622 -0.286,623 0.208,624 -0.079,625 -0.165,626 0.043,627 -0.145,628 -0.041,629 -0.039,630 -0.028,631 -0.17,632 -0.071,633 -0.174,634 -0.02,635 -0.156,636 0.079,637 -0.049,638 0.04,639 -0.053,640 0.06,641 -0.037,642 -0.167,643 0.022,644 -0.163,645 0.019,646 -0.157,647 -0.039,648 0.03,649 -0.025,650 -0.056,651 -0.036,652 -0.019,653 -0.074,654 0.134,655 -0.095,656 0.069,657 -0.1,658 0.181,659 -0.069,660 -0.256,661 -0.174,662 -0.383,663 -0.194,664 -0.257,665 -0.302,666 2.554,667 5.143,668 0.727,669 14.364,670 1.053,671 1.111,672 0.233,673 0.054,674 0.687,675 3.219,676 3.611,677 3.912,678 4.19,679 4.443,680 4.564,681 4.644,682 4.7,683 4.779,684 4.7,685 4.84,686 0.707,687 302.25,688 3.219,689 4.796,690 5.673,691 6.583,692 7.478,693 8.392,694 9.294,695 10.21,696 11.115,697 12.031,715 5,720 7,722 12,727 1,738 4,739 1,741 32,743 14,744 2,745 24,747 34,748 15,749 12,750 7,751 5,752 3,756 3,757 4,772 15,777 2,782 1,786 3,789 1,790 1,793 10,794 7,795 5,796 7,808 0.667,809 7,829 3,833 1,849 2,857 1,859 2,868 22,875 5,878 1,893 21.9,895 5,896 1,898 1,901 12.333,902 5.5,903 4.694,904 1.59,907 2.665,908 1.382,909 0.863,910 3.385,911 9.639,912 3.497,913 4.174,914 4.775,915 5.342,916 5.885,917 6.199,918 6.495,919 6.845,920 7.183,921 7.402,922 1,923 40,924 8.199,926 3.841,927 0.026,929 8.553,931 14.235,933 11.784,936 3.053,937 67.167,941 58.856,942 69.373,945 249.562,948 69.373,949 308.417,953 47.381,954 248.939,955 22.614,957 58.856,959 58.856,960 69.373,961 249.562,964 58.856,965 249.562,969 64.129,970 5.243,972 58.856,973 249.562,974 69.373,977 58.856,978 21.991,979 47.381,981 249.562,982 58.856,983 249.562,984 69.373,986 0.607,987 0.367,988 0.192,989 0.105,990 19,991 10,992 0.029,993 1,994 1,995 1.125,996 3.207,997 181.861,998 0.125,999 16,1000 98.107,1005 14.556,1006 5.116,1007 2.375,1009 249.562,1010 5.641,1015 -1.961,1017 213.417,1018 377.79,1019 32,1024 12.143,1028 -1.919,1031 33.709,1032 35.542,1034 0.303,1035 0.612,1036 0.78,1037 0.925,1038 0.988,1039 1,1040 4.771,1041 1.354,1042 5.714,1043 3.901,1044 4.29,1045 4.86,1046 0.908,1047 6.594,1048 4.212,1049 6.037,1050 0.422,1051 7.33,1052 3.505,1053 4.111,1054 4.879,1056 7.615,1057 3.985,1058 7.389,1059 0.101,1060 9.041,1061 1.037,1062 5.964,1063 7.126,1064 0.739,1065 10.749,1066 5.828,1067 8.772,1068 -0.095,1069 10.804,1070 0.235,1071 6.524,1072 7.87,1074 12.549,1075 6.346,1076 10.182,1077 -0.356,1078 12.6,1079 -0.248,1080 7.926,1081 9.656,1082 0.593,1083 15.236,1084 7.739,1085 11.61,1086 -0.588,1087 14.419,1088 -0.97,1089 8.817,1090 10.739,1092 17.383,1093 8.596,1094 13.054,1095 -0.742,1096 16.255,1097 -1.442,1098 10.058,1099 12.335,1100 0.469,1101 19.908,1102 9.824,1103 3.291,1104 -1.179,1105 18.105,1106 -1.901,1107 11.101,1108 13.587,1110 22.212,1111 10.837,1112 2.903,1113 11.548,1114 19.967,1115 -3.202,1116 12.286,1117 15.096,1118 0.366,1119 24.677,1120 12.005,1121 2.625,1122 9.691,1123 21.838,1124 4.292,1125 13.397,1126 16.435,1128 27.052,1129 13.09,1130 2.294,1131 8.016,1132 23.717,1133 3.961,1134 14.567,1135 17.904,1136 0.283,1137 29.497,1138 14.239,1139 1.958,1140 6.971,1141 25.603,1142 3.534,1143 15.711,1144 19.29,1146 31.905,1147 15.358,1148 1.899,1149 5.813,1150 27.494,1151 2.954,1152 16.879,1153 20.741,1154 0.217,1155 34.344,1156 16.505,1157 1.414,1158 5.561,1159 29.39,1160 2.533,1161 18.04,1162 22.151,1164 36.769,1165 17.642,1166 4249,1167 8705,1168 15.145,1169 21.989,1170 37.1,1171 38.754,1172 39.411,1173 36.562,1174 36.524,1175 48.313,1176 1.72,1177 112.557,1178 34.892,1179 5.508,1180 5.756,1181 6.223,1182 5.363,1183 5.291,1184 7.292,1185 1.72,1186 19.201,1187 5.209,1188 13.755,1189 1.546,1190 1.615,1191 1.642,1192 1.523,1193 1.522,1194 2.013,1195 0.072,1196 4.69,1197 1.454,1198 4.028,1199 4.026,1200 4.006,1201 3.935,1202 7.429,1203 3.95,1204 3.863,1205 3.873,1206 3.822,1207 3.787,1208 6.531,1209 3.793,1210 3.485,1211 3.477,1212 3.452,1213 3.326,1214 6.492,1215 3.356,1216 3.068,1217 3.061,1218 3.024,1219 2.857,1220 6.459,1221 2.892,1222 2.936,1223 2.97,1224 2.829,1225 2.746,1226 6.445,1227 2.75,1228 2.892,1229 2.913,1230 2.783,1231 2.709,1232 6.402,1233 2.723,1234 2.782,1235 2.782,1236 2.706,1237 2.495,1238 4.754,1239 2.537,1240 2.592,1241 2.573,1242 2.508,1243 2.143,1244 4.443,1245 2.238,1246 0.194,1247 0.156,1248 0.289,1249 0.178,1250 0.137,1251 4.645,1252 0.179,1253 3.756,1254 0.036,1255 6.925,1256 0.481,1257 4.266,1258 0.134,1259 3.291,1260 4.292,1261 0.86,1262 11.548,1263 3.209,1264 1.952,1265 1.951,1266 2.007,1267 2.062,1268 1.125,1269 2.04,1270 1.835,1271 1.824,1272 1.911,1273 1.936,1274 1.02,1275 1.927,1276 1.383,1277 1.387,1278 1.447,1279 1.582,1280 0.483,1281 1.535,1282 0.938,1283 0.936,1284 1.14,1285 1.216,1286 0.16,1287 1.163,1288 0.883,1289 0.839,1290 1.091,1291 1.14,1292 0.095,1293 1.13,1294 0.815,1295 0.791,1296 1.001,1297 1.079,1298 0.023,1299 1.048,1300 0.613,1301 0.603,1302 0.836,1303 0.99,1305 0.935,1306 0.305,1307 0.319,1308 0.62,1309 0.829,1311 0.736,1312 3.892,1314 5.263,1316 6.836,1318 8.508,1320 10.23,1327 47.909,1330 5.353,1340 22.638,1341 48.526,1342 97.952,1343 124.781,1344 148,1345 158,1346 160,1347 63.985,1348 6.974,1349 131.36,1350 131.36,1351 18,1352 12.544,1353 3.907,1354 3.17,1355 34.277,1356 64,1357 64,1358 0.276,1359 137.03,1360 249.59,1361 326.113,1362 8350,1364 16.016,1365 0.728,1366 0.497,1367 16.016,1368 10.939,1369 10.38,1370 0.432,1371 0.255,1372 6.005,1373 9.868,1374 5.94,1375 4.863,1376 10.38,1377 6.123,1378 10.037,1379 0.279,1380 0.129,1381 10.037,1382 4.65,1383 8.612,1384 0.176,1385 0.065,1386 8.612,1387 3.173,1388 7.132,1389 0.11,1390 0.033,1391 7.132,1392 2.135,1393 5.547,1394 0.066,1395 0.017,1396 5.547,1397 1.41,1398 0.413,1399 66.56,1400 0.257,1401 21.023,1402 0.819,1403 120,1404 466.219,1405 136.83,1406 439.531,1407 577.37,1408 402,1409 145,1410 415.061,1411 162.607,1412 414.148,1413 610.53,1414 389,1415 4.417}
{0 CHEMBL501587,1 1.387,2 15.634,3 7.345,4 53.955,5 171.872,6 6.83,7 0.478,8 4.484,9 4.613,10 4.02,11 4.098,12 5.407,13 4.024,14 5.079,15 5.271,16 4.376,17 4.527,18 5.936,19 4.416,20 5.386,21 5.63,22 4.514,23 4.696,24 6.191,25 4.558,26 5.397,27 5.629,28 4.502,29 4.711,30 6.219,31 4.556,32 5.426,33 5.661,34 4.398,35 4.735,36 6.195,37 4.559,38 5.498,39 5.752,40 4.282,41 4.729,42 6.216,43 4.522,44 5.525,45 5.821,46 4.093,47 4.627,48 6.176,49 4.395,50 5.383,51 5.693,52 4.042,53 4.453,54 6.04,55 4.254,56 0.081,57 1.183,58 19.647,59 8.484,60 9.928,61 11.633,62 0.259,63 2.051,64 38.56,65 15.17,66 24.902,67 20.835,68 0.388,69 2.669,70 54.578,71 19.939,72 40.94,73 27.447,74 0.483,75 2.746,76 58.703,77 20.375,78 46.714,79 27.593,80 0.423,81 2.738,82 58.712,83 22.273,84 42.155,85 29.737,86 0.39,87 2.824,88 61.915,89 24.187,90 44.611,91 32.816,92 0.431,93 2.796,94 62.955,95 24.15,96 49.721,97 33.614,98 0.405,99 2.429,100 53.539,101 19.595,102 41.38,103 27.909,104 6,105 63,106 0.209,107 0.494,108 0.674,109 0.791,110 0.857,111 0.886,112 3.741,113 1.083,114 -5.92,115 -5.78,116 -5.38,121 42.2,122 1,123 11,127 4,144 8,145 4,146 2,148 4,160 1,176 17,179 1,180 12,185 3,187 21,192 9,197 3,200 14,206 8,209 1,211 4,214 23,219 1,222 1,224 2,227 26,232 5,239 24,244 5,247 1,249 2,251 13,255 1,256 8,264 6,268 1,269 10,274 1,277 10,281 3614,282 28.587,283 28.587,284 28.587,285 28.587,286 28.587,287 25.829,288 26.597,289 17.34,290 29.02,291 22.79,292 22.79,293 22.79,294 22.79,295 22.79,296 18.457,297 23.734,298 8.232,299 23.51,300 4.988,301 3.095,302 1.898,303 1.118,304 0.684,305 0.491,306 4.462,313 1441,314 4.472,318 620.078,322 710.389,325 2.415,326 23.918,329 0.5,330 0.33,331 0.67,332 0.7,333 0.5,334 0.67,335 0.5,336 0.55,337 85,338 641,339 4.64,340 4.463,341 6.829,342 4.207,343 3.226,344 4.564,345 2.95,346 11.348,347 3.162,348 4.64,349 3.666,350 6.829,351 4.192,352 3.226,353 4.564,354 1.94,355 11.348,356 3.113,357 3.914,358 3.361,359 5.982,360 3.676,361 2.721,362 3.437,363 0.555,364 8.37,365 2.593,366 3.914,367 3.211,368 5.982,369 3.524,370 2.532,371 3.437,372 0.4,373 8.37,374 2.512,375 3.882,376 2.687,377 5.91,378 3.524,379 2.532,380 3.031,382 8.133,383 2.512,384 3.522,385 2.669,386 5.381,387 3.134,388 2.18,389 2.893,391 6.711,392 2.077,393 3.521,394 2.519,395 5.381,396 3.093,397 2.177,398 2.892,400 6.711,401 1.988,402 2.94,403 2.362,404 4.116,405 2.698,406 1.704,407 2.142,409 3.652,410 1.689,411 2.939,412 2.306,413 4.116,414 2.575,415 1.615,416 2.142,418 3.552,419 1.539,420 2.835,421 1.789,422 4,423 2.512,424 1.522,425 1.829,427 3.329,428 1.504,429 2.707,430 1.744,431 3.965,432 2.501,433 1.509,434 1.73,436 3.329,437 1.493,438 2.608,439 1.547,440 3.873,441 2.345,442 1.347,443 1.634,445 3.291,446 1.343,447 2.563,448 1.461,449 3.693,450 2.345,451 1.347,452 1.574,454 3.185,455 1.343,456 2.49,457 1.44,458 3.601,459 2.242,460 1.25,461 1.489,463 2.902,464 1.24,465 2.486,466 1.35,467 3.594,468 2.242,469 1.247,470 1.485,472 2.902,473 1.24,474 20.267,475 0.494,476 0.743,477 0.018,478 48,479 1.171,480 22.5,481 0.549,482 25.5,483 0.622,484 47.821,485 1.166,486 43.933,487 0.529,488 33.673,489 0.821,490 8.109,491 0.198,492 12.078,493 0.295,494 0.041,496 0.291,501 0.747,502 1.218,503 0.848,504 1.016,505 0.566,506 1,507 0.819,508 1.176,509 1.005,510 1.066,511 0.561,512 1.026,513 1.188,514 0.991,515 0.957,516 0.892,517 0.992,518 0.877,519 1.377,520 1.06,521 1.264,522 1.102,523 1.229,524 1.036,525 1.186,526 1.028,527 1.299,528 1.159,529 1.154,530 1.125,531 0.913,532 1.141,533 1.202,534 1.234,535 1.029,536 1.208,537 0.691,538 1.034,539 1.014,540 1.065,541 0.697,542 1.047,543 0.875,544 0.869,545 0.801,546 0.825,547 0.741,548 0.84,549 5,550 0.343,551 4.222,552 2.75,553 2.48,554 0.875,555 0.519,556 0.292,557 0.39,558 0.434,559 34418,560 68675,561 2.177,562 50.6,563 12,564 16,567 1,568 7,569 4,570 2,572 1.801,573 2.103,574 3.808,575 -0.473,582 115.126,583 1.387,584 3.28,585 4.477,586 5.258,587 5.691,588 5.884,589 3.065,590 4.675,591 5.34,592 4.132,593 3388.03,594 9.396,595 65132.9,600 529.128,601 1.128,602 5.316,603 0.109,604 0.006,605 0.067,606 0.04,607 0.039,608 0.015,609 0.01,610 0.007,611 0.009,612 0.009,613 0.311,614 0.17,615 0.5,616 0.474,617 238.238,618 0.027,619 -0.064,620 0.08,621 0.028,622 0.041,623 0.038,624 0.083,625 -0.075,626 0.011,627 -0.028,628 0.096,629 -0.016,630 -0.05,631 0.06,632 0.094,633 0.115,634 -0.013,635 0.104,636 -0.115,637 0.027,638 -0.076,639 -0.026,640 -0.111,641 -0.05,642 -0.144,643 0.013,644 -0.173,645 -0.085,646 -0.14,647 -0.12,648 -0.065,649 -0.168,650 -0.171,651 -0.196,652 -0.102,653 -0.199,654 0.075,655 -0.111,656 -0.038,657 -0.084,658 0.025,659 -0.055,660 0.078,661 0.061,662 0.12,663 0.092,664 0.057,665 0.123,666 1.483,667 5.455,668 0.683,669 46.331,670 0.983,671 1.121,672 4.694,673 22.036,674 0.67,675 3.85,676 4.159,677 4.477,678 4.779,679 5.063,680 5.13,681 5.263,682 5.38,683 5.472,684 5.371,685 9.888,686 0.614,687 566.88,688 3.85,689 5.389,690 6.252,691 7.133,692 8.017,693 8.908,694 9.799,695 10.695,696 11.591,697 12.49,698 4.8,703 1,705 1,708 2,714 4,715 8,716 2,720 6,722 22,734 1,741 83,743 23,744 2,745 46,747 88,748 35,749 18,750 4,751 8,756 6,757 12,763 1,767 8,770 11,772 19,773 16,777 1,782 1,786 1,793 42,794 5,795 1,796 6,797 1,802 4,808 0.333,809 1,822 2,829 6,833 4,844 1,859 2,860 1,862 1,864 1,868 41,876 15,877 1,879 1,881 1,893 1.2,896 1,901 19.5,902 15.1,903 9.083,904 5.804,907 4.584,908 1.51,909 1.012,910 9.309,911 13.571,912 4.078,913 4.673,914 5.303,915 5.933,916 6.549,917 6.879,918 7.259,919 7.606,920 7.912,921 7.746,922 0.9,923 69,924 15.289,926 6.495,927 0.026,929 7.407,931 30.743,933 26.367,936 1.907,937 78.167,941 482.615,942 182.282,943 54.706,945 25.145,947 32.22,948 150.063,949 507.76,950 54.706,951 8.825,952 38.221,953 75.81,954 81.431,955 25.626,957 514.835,959 482.615,960 204.769,961 25.145,962 32.22,964 411.989,965 95.772,968 56.848,969 96.339,970 51.582,971 32.22,972 482.615,973 79.851,974 182.282,977 482.615,978 97.647,979 87.759,980 18.011,981 58.716,982 482.615,983 79.851,984 182.282,986 0.57,987 0.342,988 0.199,989 0.113,990 30,991 12,992 0.125,993 11,994 4,995 1.286,996 5.226,997 409.126,998 0.286,999 28,1000 215.66,1001 1,1005 28.346,1006 13.465,1007 6.509,1008 4.739,1009 79.851,1010 17.097,1011 9.951,1015 8.184,1017 18.011,1018 744.749,1019 58,1024 12.455,1028 0.184,1031 81.599,1032 93.011,1034 0.218,1035 0.515,1036 0.702,1037 0.825,1038 0.893,1039 0.923,1040 5.316,1041 1.704,1042 6.213,1043 6.711,1044 4.844,1045 5.361,1046 3.235,1047 7.034,1048 4.785,1049 6.499,1050 1.615,1051 7.769,1052 3.652,1053 4.29,1054 5.198,1055 1.668,1056 7.974,1057 4.205,1058 7.805,1059 1.522,1060 9.435,1061 3.552,1062 6.428,1063 7.61,1064 5.141,1065 11.134,1066 6.31,1067 9.155,1068 1.509,1069 11.171,1070 3.329,1071 6.781,1072 8.36,1073 3.13,1074 12.959,1075 6.634,1076 10.546,1077 1.347,1078 12.953,1079 3.329,1080 8.327,1081 10.229,1082 7.23,1083 15.623,1084 8.156,1085 11.966,1086 1.347,1087 14.765,1088 3.291,1089 9.115,1090 11.394,1091 4.539,1092 17.795,1093 8.913,1094 13.409,1095 1.25,1096 16.598,1097 3.185,1098 10.419,1099 13.052,1100 9.366,1101 20.301,1102 10.195,1103 3.226,1104 1.247,1105 18.447,1106 2.902,1107 11.412,1108 14.409,1109 5.912,1110 22.618,1111 11.156,1112 3.226,1113 11.348,1114 20.307,1115 2.902,1116 12.621,1117 15.981,1118 11.519,1119 25.071,1120 12.342,1121 2.721,1122 11.348,1123 22.176,1124 4.564,1125 13.707,1126 17.426,1127 7.263,1128 27.45,1129 13.399,1130 2.532,1131 8.37,1132 24.052,1133 4.564,1134 14.883,1135 18.965,1136 13.678,1137 29.886,1138 14.55,1139 2.532,1140 8.37,1141 25.934,1142 3.437,1143 16.012,1144 20.449,1145 8.602,1146 32.292,1147 15.65,1148 2.18,1149 8.133,1150 27.822,1151 3.437,1152 17.177,1153 21.975,1154 15.84,1155 34.722,1156 16.789,1157 2.177,1158 6.711,1159 29.713,1160 3.031,1161 18.326,1162 23.477,1163 9.936,1164 37.14,1165 17.91,1166 31163,1167 44191,1168 31.898,1169 55.592,1170 67.965,1171 72.071,1172 69.595,1173 67.931,1174 67.968,1175 86.105,1176 11.692,1177 192.129,1178 65.956,1179 5.608,1180 6.463,1181 6.597,1182 5.32,1183 5.226,1184 7.564,1185 5.9,1186 18.879,1187 5.162,1188 12.566,1189 1.478,1190 1.567,1191 1.513,1192 1.477,1193 1.478,1194 1.872,1195 0.254,1196 4.177,1197 1.434,1198 4.132,1199 4.162,1200 4.156,1201 4.072,1202 7.428,1203 4.067,1204 4.083,1205 4.109,1206 4.067,1207 4.025,1208 4.984,1209 4.024,1210 3.802,1211 3.864,1212 3.736,1213 3.657,1214 4.947,1215 3.644,1216 3.732,1217 3.781,1218 3.634,1219 3.65,1220 4.413,1221 3.635,1222 3.731,1223 3.78,1224 3.617,1225 3.623,1226 4.403,1227 3.619,1228 3.597,1229 3.668,1230 3.596,1231 3.474,1232 4.272,1233 3.435,1234 3.451,1235 3.504,1236 3.42,1237 3.311,1238 4.156,1239 3.288,1240 3.299,1241 3.367,1242 3.16,1243 3.159,1244 4.009,1245 3.15,1246 0.101,1247 0.097,1248 0.148,1249 0.091,1250 0.07,1251 4.64,1252 0.099,1253 4.463,1254 0.064,1255 6.829,1256 0.247,1257 4.207,1258 0.069,1259 3.226,1260 4.564,1261 2.95,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.437,1269 2.163,1270 2.067,1271 2.046,1272 2.143,1273 2.141,1274 1.435,1275 2.148,1276 1.757,1277 1.71,1278 1.981,1279 1.961,1280 1.317,1281 1.97,1282 1.754,1283 1.709,1284 1.948,1285 1.872,1286 1.208,1287 1.902,1288 1.753,1289 1.693,1290 1.948,1291 1.872,1292 1.145,1293 1.901,1294 1.6,1295 1.536,1296 1.847,1297 1.79,1298 1.129,1299 1.817,1300 1.424,1301 1.371,1302 1.686,1303 1.631,1304 0.85,1305 1.661,1306 1.294,1307 1.234,1308 1.552,1309 1.499,1310 0.758,1311 1.523,1312 4.533,1314 5.844,1316 7.37,1318 9.005,1320 10.702,1322 1.716,1328 16.052,1329 3.777,1331 1.967,1333 2.046,1340 50.997,1341 115.126,1342 272.257,1343 371.561,1344 436.373,1345 472.373,1346 488.373,1347 65.992,1348 8.988,1349 58.12,1350 83.42,1351 36,1352 13.013,1353 4.585,1354 3.7,1355 59.837,1356 250,1357 172,1358 0.111,1359 312.245,1360 538.56,1361 753.638,1362 155288,1364 28.02,1365 0.683,1366 0.615,1367 28.374,1368 25.2,1369 20.187,1370 0.439,1371 0.361,1372 15.614,1373 19.34,1374 15.159,1375 12.51,1376 20.641,1377 16.605,1378 17.559,1379 0.279,1380 0.201,1381 18.116,1382 12.674,1383 15.2,1384 0.175,1385 0.114,1386 15.896,1387 9.955,1388 13.201,1389 0.112,1390 0.066,1391 13.987,1392 7.765,1393 11.412,1394 0.073,1395 0.039,1396 12.207,1397 6.102,1398 0.182,1399 128.084,1400 0.177,1401 37.396,1402 0.283,1403 218,1404 479.864,1405 250.74,1406 496.583,1407 703.06,1408 472,1409 259,1410 517.834,1411 289.863,1412 538.976,1413 798.72,1414 514,1415 7.617}
{0 CHEMBL502,1 1.347,2 12.464,3 4.57,4 20.882,5 112.114,6 6.659,7 0.387,8 4.118,9 4.233,10 3.6,11 3.668,12 5.094,13 3.624,14 4.715,15 4.897,16 3.939,17 4.093,18 5.587,19 4.023,20 4.985,21 5.193,22 4.026,23 4.27,24 5.861,25 4.157,26 5.118,27 5.37,28 3.922,29 4.265,30 5.931,31 4.118,32 5.088,33 5.345,34 3.888,35 4.209,36 5.913,37 4.067,38 5.014,39 5.26,40 3.775,41 4.172,42 5.874,43 4.01,44 4.976,45 5.253,46 3.558,47 4.035,48 5.77,49 3.848,50 4.728,51 5,52 3.41,53 3.824,54 5.464,55 3.65,56 0.037,57 0.759,58 13.195,59 5.924,60 8.463,61 7.879,62 0.225,63 1.297,64 25.247,65 9.862,66 21.166,67 13.447,68 0.316,69 1.645,70 33.172,71 13.287,72 30.049,73 18.393,74 0.314,75 1.782,76 38.591,77 14.774,78 44.699,79 20.73,80 0.48,81 1.693,82 37.974,83 14.018,84 48.792,85 19.63,86 0.399,87 1.603,88 34.808,89 13.491,90 47.986,91 18.858,92 0.405,93 1.493,94 34.009,95 12.529,96 51.182,97 17.784,98 0.212,99 1.174,100 26.156,101 10.06,102 27.664,103 14.229,104 14,105 43,106 0.222,107 0.521,108 0.732,109 0.799,110 0.813,111 0.818,112 3.374,113 0.99,114 -4.75,115 -4.66,116 -4.38,121 42.1,123 4,124 2,126 2,127 3,144 7,145 3,146 2,159 1,176 15,180 7,187 17,191 1,192 11,200 12,206 8,214 8,218 1,219 7,227 11,231 1,232 3,239 11,243 1,244 4,251 7,256 6,264 6,269 1,277 7,281 1222,282 19.342,283 19.342,284 19.342,285 19.342,286 19.342,287 17.799,288 24.383,289 11.379,290 19.77,291 15.198,292 15.198,293 15.198,294 15.198,295 15.198,296 12.71,297 28.856,298 5.286,299 15.672,300 4.486,301 2.67,302 1.393,303 0.987,304 0.904,305 0.869,306 4.073,311 1,312 1,313 759,314 2.915,317 64.284,318 273.802,321 122.054,325 2.036,326 21.84,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 59.5,338 349,339 4.528,340 3.793,341 6.724,342 4.227,343 3.222,344 4.173,345 1.277,346 10.926,347 3.24,348 4.019,349 3.184,350 6.107,351 3.734,352 2.772,353 3.457,354 0.916,355 8.884,356 2.669,357 3.94,358 3.017,359 5.642,360 3.649,361 2.69,362 3.385,363 0.86,364 7.815,365 2.579,366 3.611,367 2.581,368 5.522,369 3.45,370 2.457,371 2.67,372 0.86,373 7.28,374 2.432,375 3.322,376 2.549,377 5.236,378 3.084,379 2.124,380 2.502,381 0.172,382 6.315,383 2.031,384 3.193,385 2.283,386 4.977,387 2.904,388 1.909,389 2.309,391 5.772,392 1.89,393 2.991,394 2.194,395 4.845,396 2.74,397 1.768,398 2.101,400 5.339,401 1.718,402 2.812,403 1.823,404 4.248,405 2.411,406 1.418,407 1.893,409 3.522,410 1.407,411 2.515,412 1.511,413 3.593,414 2.273,415 1.334,416 1.5,418 3.037,419 1.234,420 2.5,421 1.284,422 3.414,423 2,424 1,425 1.478,427 2.275,428 1,429 2,430 1.077,431 3.277,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.908,439 1.012,440 3.247,441 1.555,442 0.591,443 0.726,445 1.256,446 0.559,447 1.486,448 1,449 2.972,450 1.263,451 0.376,452 0.407,454 0.663,455 0.322,456 1.355,457 0.515,458 2.793,459 1.195,460 0.259,461 0.276,463 0.477,464 0.246,465 1.123,466 0.4,467 2.693,468 0.879,469 -0.101,470 -0.114,472 -0.239,473 -0.098,474 13.4,475 0.479,476 0.585,477 0.021,478 32,479 1.143,480 14.5,481 0.518,482 17.5,483 0.625,484 27.033,485 0.965,486 31,487 0.544,488 22.051,489 0.788,490 6.083,491 0.217,492 7.591,493 0.271,494 0.1,496 0.328,501 0.754,502 1.294,503 0.871,504 1.179,505 0.562,506 1.059,507 1.18,508 0.971,509 0.997,510 0.923,511 0.714,512 0.926,513 0.788,514 1.172,515 1.032,516 1.161,517 0.841,518 1.128,519 0.933,520 1.08,521 1.007,522 1.073,523 1.166,524 1.052,525 1.048,526 0.92,527 0.976,528 0.926,529 1.007,530 0.939,531 0.887,532 1.096,533 1.095,534 1.116,535 1.236,536 1.131,537 1.011,538 0.951,539 1.053,540 0.965,541 1.489,542 1.01,543 0.828,544 1.039,545 0.954,546 1.035,547 1.008,548 1.017,549 5.5,550 0.172,551 2.667,552 2.076,553 1.578,554 0.997,555 0.579,556 0.298,557 0.246,558 0.117,559 10824,560 23969,561 2.115,562 50.9,563 5,564 19,568 1,569 4,572 1.705,573 2,574 3.592,575 -0.848,582 76.799,583 1.347,584 3.163,585 4.439,586 4.846,587 4.929,588 4.964,589 3.101,590 4.45,591 4.776,592 3.771,593 1425.27,594 8.278,595 19311.7,597 1,600 332.475,601 1.333,602 4.748,603 0.177,604 0.008,605 0.062,606 0.047,607 0.042,608 0.027,609 0.018,610 0.012,611 0.011,612 0.005,613 0.41,614 0.33,615 1,616 0.789,617 142.641,618 0.021,619 -0.118,620 0.074,621 -0.051,622 0.037,623 0.007,624 -0.129,625 0.139,626 -0.008,627 0.108,628 -0.021,629 0.075,630 0.073,631 -0.122,632 -0.068,633 -0.136,634 0.057,635 -0.12,636 -0.029,637 -0.1,638 -0.034,639 -0.091,640 -0.037,641 -0.067,642 0.02,643 0.046,644 0.018,645 0.04,646 0.019,647 0.031,648 0.027,649 -0.118,650 -0.125,651 -0.126,652 -0.016,653 -0.142,654 -0.043,655 -0.008,656 -0.07,657 -0.012,658 -0.117,659 -0.042,660 -0.001,661 -0.097,662 0.01,663 -0.062,664 -0.074,665 -0.031,666 1.386,667 5.937,668 0.75,669 30.378,670 0.99,671 1.122,672 3.516,673 12.363,674 0.65,675 3.466,676 3.784,677 4.078,678 4.344,679 4.585,680 4.644,681 4.804,682 4.92,683 4.927,684 4.984,685 7.272,686 0.606,687 379.54,688 3.466,689 5.004,690 5.861,691 6.739,692 7.614,693 8.5,694 9.383,695 10.273,696 11.162,697 12.056,698 1.8,701 1,715 7,720 5,722 12,727 1,739 2,741 57,743 13,744 2,745 31,747 60,748 24,749 12,750 5,751 7,752 1,756 4,757 5,767 3,768 2,770 4,772 13,773 11,774 2,777 1,782 1,786 1,790 1,793 29,794 4,796 4,802 1,808 0.75,809 3,828 1,829 3,832 1,855 1,859 3,864 2,868 28,876 7,878 2,880 2,881 1,893 5.3,896 1,898 2,901 14,902 10.7,903 6.278,904 3.557,907 2.118,908 1.274,909 0.966,910 5.911,911 9.852,912 3.664,913 4.19,914 4.718,915 5.212,916 5.705,917 5.825,918 6.055,919 6.196,920 6.197,921 6.245,922 1,923 44,924 10.431,926 4.431,927 0.026,929 7.542,931 20.613,933 17.5,936 2.042,937 57.167,939 1,940 1,941 341.362,942 129.732,943 3.124,945 47.145,948 129.732,949 388.507,950 3.124,951 21.766,952 16.455,953 66.334,954 30.278,955 45.168,957 341.362,959 341.362,960 132.856,961 47.145,964 294.278,965 94.229,968 19.58,969 113.277,972 341.362,973 50.269,974 129.732,977 341.362,978 41.632,979 91.224,981 47.145,982 341.362,983 50.269,984 129.732,986 0.574,987 0.347,988 0.19,989 0.106,990 21,991 9,992 0.1,993 6,994 1,995 1.095,996 4.066,997 240.338,998 0.095,999 21,1000 126.606,1005 19.322,1006 8.566,1007 4.224,1009 50.269,1010 14.516,1015 4.664,1018 521.363,1019 38,1024 12.937,1028 0.28,1031 56.454,1032 63.939,1034 0.231,1035 0.542,1036 0.761,1037 0.831,1038 0.845,1039 0.851,1040 4.913,1041 1.418,1042 5.838,1043 5.339,1044 4.466,1045 4.875,1046 2.166,1047 6.645,1048 4.419,1049 6.079,1050 1.334,1051 7.392,1052 3.522,1053 4.007,1054 4.59,1055 0.325,1056 7.513,1057 3.955,1058 7.368,1059 1,1060 9.043,1061 3.037,1062 6.057,1063 6.952,1064 2.248,1065 10.615,1066 5.982,1067 8.689,1068 1,1069 10.752,1070 2.275,1071 6.431,1072 7.499,1073 0.393,1074 12.316,1075 6.358,1076 10.045,1077 0.591,1078 12.498,1079 2.136,1080 7.928,1081 9.348,1082 2.486,1083 14.934,1084 7.843,1085 11.425,1086 0.376,1087 14.269,1088 1.256,1089 8.698,1090 10.295,1091 0.384,1092 17.006,1093 8.622,1094 12.825,1095 0.259,1096 16.061,1097 0.663,1098 9.972,1099 11.925,1100 2.829,1101 19.46,1102 9.893,1103 3.222,1104 -0.101,1105 17.867,1106 0.477,1107 10.937,1108 13.083,1109 0.351,1110 21.702,1111 10.871,1112 2.772,1113 10.926,1114 19.687,1115 -0.239,1116 12.123,1117 14.607,1118 3.238,1119 24.103,1120 12.061,1121 2.69,1122 8.884,1123 21.518,1124 4.173,1125 13.182,1126 15.881,1127 0.312,1128 26.422,1129 13.136,1130 2.457,1131 7.815,1132 23.358,1133 3.457,1134 14.337,1135 17.353,1136 3.684,1137 28.808,1138 14.3,1139 2.124,1140 7.28,1141 25.206,1142 3.385,1143 15.444,1144 18.692,1145 0.273,1146 31.163,1147 15.422,1148 1.909,1149 6.315,1150 27.062,1151 2.67,1152 16.592,1153 20.138,1154 4.15,1155 33.546,1156 16.581,1157 1.768,1158 5.772,1159 28.923,1160 2.502,1161 17.723,1162 21.515,1163 0.236,1164 35.918,1165 17.727,1166 10236,1167 15342,1168 20.978,1169 37.029,1170 46.039,1171 47.662,1172 47.516,1173 45.747,1174 45.84,1175 55.754,1176 8.173,1177 131.39,1178 44.618,1179 5.528,1180 5.793,1181 6.526,1182 5.262,1183 5.222,1184 7.173,1185 2.555,1186 18.021,1187 5.24,1188 12.089,1189 1.485,1190 1.537,1191 1.533,1192 1.476,1193 1.479,1194 1.799,1195 0.264,1196 4.238,1197 1.439,1198 4.062,1199 4.085,1200 4.009,1201 3.985,1202 7.426,1203 3.987,1204 3.936,1205 3.973,1206 3.858,1207 3.86,1208 4.915,1209 3.854,1210 3.808,1211 3.854,1212 3.698,1213 3.702,1214 4.755,1215 3.694,1216 3.557,1217 3.589,1218 3.47,1219 3.388,1220 4.495,1221 3.4,1222 3.278,1223 3.346,1224 3.134,1225 3.091,1226 4.346,1227 3.092,1228 3.25,1229 3.315,1230 3.062,1231 2.963,1232 4.269,1233 2.973,1234 3.111,1235 3.206,1236 2.899,1237 2.941,1238 3.875,1239 2.91,1240 3.099,1241 3.18,1242 2.866,1243 2.896,1244 3.675,1245 2.884,1246 0.146,1247 0.122,1248 0.217,1249 0.136,1250 0.104,1251 4.528,1252 0.135,1253 3.793,1254 0.041,1255 6.724,1256 0.352,1257 4.227,1258 0.105,1259 3.222,1260 4.173,1261 1.277,1262 10.926,1263 3.24,1264 1.935,1265 1.897,1266 2.102,1267 2.068,1268 1.494,1269 2.082,1270 1.881,1271 1.872,1272 2.016,1273 1.978,1274 1.213,1275 1.979,1276 1.848,1277 1.804,1278 1.956,1279 1.955,1280 1.14,1281 1.967,1282 1.571,1283 1.523,1284 1.776,1285 1.746,1286 1.053,1287 1.758,1288 1.237,1289 1.185,1290 1.575,1291 1.523,1292 0.825,1293 1.539,1294 1.221,1295 1.159,1296 1.569,1297 1.521,1298 0.736,1299 1.534,1300 1.183,1301 1.104,1302 1.513,1303 1.424,1304 0.589,1305 1.447,1306 1.153,1307 1.064,1308 1.482,1309 1.376,1310 0.574,1311 1.429,1312 4.143,1314 5.46,1315 2.398,1316 6.976,1317 4.844,1318 8.58,1319 7.018,1320 10.229,1322 3.256,1328 7.459,1330 10.774,1332 0.747,1333 2.535,1340 34.541,1341 76.799,1342 180.309,1343 253.049,1344 276.21,1345 280.965,1346 282.965,1347 48.398,1348 7.735,1349 38.77,1350 38.77,1351 23,1352 12.583,1353 3.807,1354 3,1355 42.739,1356 123,1357 122,1358 0.17,1359 209.704,1360 371.41,1361 503.439,1362 25383,1364 19.51,1365 0.697,1366 0.601,1367 19.51,1368 16.818,1369 13.673,1370 0.441,1371 0.33,1372 10.101,1373 13.201,1374 9.796,1375 8.118,1376 13.673,1377 10.23,1378 11.949,1379 0.278,1380 0.188,1381 11.949,1382 8.07,1383 10.52,1384 0.181,1385 0.108,1386 10.52,1387 6.286,1388 8.695,1389 0.114,1390 0.062,1391 8.695,1392 4.712,1393 7.231,1394 0.075,1395 0.037,1396 7.231,1397 3.566,1398 0.273,1399 85.461,1400 0.218,1401 27.153,1402 0.45,1403 148,1404 378.852,1405 157.942,1406 359.828,1407 491.35,1408 340,1409 175,1410 350.84,1411 186.08,1412 360.357,1413 524.86,1414 336,1415 7.647}
{0 CHEMBL502244,1 1.476,2 13.154,3 5.612,4 31.498,5 153.13,6 6.944,7 0.488,8 4.411,9 4.541,10 3.915,11 3.943,12 5.442,13 3.911,14 4.978,15 5.16,16 4.302,17 4.359,18 6.007,19 4.3,20 5.281,21 5.5,22 4.342,23 4.511,24 6.233,25 4.421,26 5.348,27 5.597,28 4.342,29 4.491,30 6.321,31 4.399,32 5.301,33 5.519,34 4.31,35 4.458,36 6.435,37 4.372,38 5.325,39 5.567,40 4.293,41 4.495,42 6.257,43 4.382,44 5.401,45 5.657,46 4.294,47 4.47,48 6.402,49 4.359,50 5.361,51 5.626,52 4.195,53 4.388,54 6.383,55 4.286,56 0.059,57 1.115,58 16.955,59 7.022,60 11.917,61 9.694,62 0.407,63 1.81,64 31.74,65 12.069,66 45.42,67 17.182,68 0.563,69 2.273,70 45.039,71 15.54,72 63.877,73 22.135,74 0.508,75 2.365,76 49.025,77 15.727,78 71.855,79 23.272,80 0.994,81 2.249,82 47.168,83 14.431,84 133.199,85 20.809,86 0.458,87 2.306,88 47.251,89 16.626,90 63.355,91 24.078,92 0.617,93 2.362,94 52.382,95 17.009,96 85.979,97 24.828,98 0.843,99 2.18,100 51.761,101 15.478,102 114.144,103 22.471,104 30,105 61,106 0.226,107 0.564,108 0.74,109 0.821,110 0.857,111 0.861,112 3.693,113 0.959,114 -3.45,115 -3.43,116 -3.28,121 40.8,122 3,123 5,127 2,129 1,132 1,144 8,145 4,146 1,148 2,153 1,154 1,160 1,161 1,176 14,179 1,180 7,183 3,185 6,187 18,192 5,195 1,196 2,197 7,200 11,206 8,209 1,211 10,214 9,218 2,219 3,222 3,223 1,224 6,227 9,232 3,235 1,236 2,237 6,239 9,244 9,247 3,249 11,251 5,256 7,259 2,261 6,264 5,268 1,269 6,273 1,274 6,277 7,281 3208,282 26.154,283 26.154,284 26.154,285 26.154,286 26.154,287 23.424,288 25.349,289 15.508,290 26.54,291 21.3,292 21.3,293 21.3,294 21.3,295 21.3,296 17.024,297 28.048,298 7.395,299 21.907,300 4.772,301 2.564,302 1.415,303 0.885,304 0.648,305 0.622,306 4.397,312 1,313 1122,314 5.099,317 96.29,318 417.931,321 179.304,322 345.438,325 1.732,326 37.207,329 0.75,330 0.67,331 0.67,332 0.7,333 0.5,334 0.83,335 1,336 0.73,337 83.5,338 513,339 4.64,340 3.819,341 6.829,342 4.207,343 3.226,344 4.564,345 2.189,346 11.348,347 3.162,348 4.529,349 3.667,350 6.542,351 4.086,352 3.138,353 4.474,354 1.952,355 10.337,356 3.046,357 4.167,358 3.361,359 6.447,360 4.058,361 3.082,362 3.437,363 0.412,364 10.157,365 2.926,366 3.949,367 3.168,368 6.042,369 3.747,370 2.761,371 3.245,372 0.4,373 8.676,374 2.713,375 3.914,376 3.128,377 5.982,378 3.524,379 2.532,380 3.095,381 0.193,382 8.37,383 2.512,384 3.522,385 2.669,386 5.381,387 3.135,388 2.182,389 2.892,391 6.711,392 2.077,393 3.432,394 2.359,395 5.111,396 3.066,397 2.089,398 2.724,400 5.934,401 2.01,402 3.384,403 2.311,404 4.893,405 2.977,406 1.986,407 2.55,409 5.635,410 1.965,411 3.046,412 1.875,413 4.245,414 2.555,415 1.592,416 2.318,418 3.888,419 1.531,420 2.939,421 1.81,422 4.116,423 2.518,424 1.546,425 2.142,427 3.61,428 1.501,429 2.722,430 1.561,431 4.046,432 2.492,433 1.507,434 1.768,436 3.329,437 1.478,438 2.641,439 1.546,440 3.916,441 2.345,442 1.347,443 1.684,445 3.314,446 1.343,447 2.547,448 1.441,449 3.613,450 2.242,451 1.247,452 1.554,454 2.902,455 1.24,456 2.486,457 1.35,458 3.594,459 2.227,460 1.236,461 1.485,463 2.888,464 1.22,465 2.364,466 1.2,467 3.575,468 2.049,469 1.077,470 1.29,472 2.65,473 1.041,474 18.5,475 0.474,476 1.062,477 0.027,478 46.5,479 1.192,480 21.5,481 0.551,482 25,483 0.641,484 41.979,485 1.076,486 42.7,487 0.562,488 38.742,489 0.993,490 8.756,491 0.225,492 10.026,493 0.257,494 0.117,495 0.027,496 0.297,501 0.807,502 1.294,503 0.862,504 1.101,505 0.614,506 0.998,507 0.622,508 1.174,509 0.85,510 1.058,511 0.473,512 0.992,513 1.239,514 1.075,515 1.079,516 1.015,517 0.977,518 1.029,519 1.167,520 1.059,521 0.966,522 0.953,523 1.209,524 0.928,525 1.5,526 0.996,527 1.239,528 0.974,529 1.722,530 1.053,531 0.915,532 1.112,533 0.993,534 1.113,535 0.954,536 1.069,537 1.174,538 1.081,539 0.994,540 1.052,541 1.212,542 1.008,543 1.652,544 0.787,545 1.043,546 0.761,547 1.883,548 0.813,549 8,550 0.256,551 4.222,552 3.104,553 1.977,554 1.163,555 0.902,556 0.643,557 0.547,558 0.454,559 25596,560 57849,561 2.088,562 48.7,563 6,564 13,565 1,567 4,568 2,569 11,572 1.797,573 1.958,574 3.634,575 1.402,582 112.148,583 1.476,584 3.684,585 4.833,586 5.363,587 5.599,588 5.626,589 2.882,590 4.805,591 5.264,592 3.878,593 2873.26,594 9.295,595 50798.2,600 474.842,601 1.496,602 5.213,603 0.186,604 0.005,605 0.069,606 0.051,607 0.033,608 0.021,609 0.016,610 0.012,611 0.011,612 0.009,613 0.413,614 0.17,615 0.75,616 1.058,617 219.186,618 -0.047,619 -0.059,620 0.046,621 0.007,622 -0.047,623 0.037,624 0.251,625 -0.045,626 0.096,627 -0.006,628 0.173,629 0.019,630 -0.09,631 -0.027,632 -0.087,633 -0.021,634 -0.098,635 -0.054,636 -0.071,637 -0.04,638 0.039,639 0.002,640 -0.036,641 0.032,642 0.001,643 0.061,644 -0.201,645 -0.03,646 0.002,647 -0.125,648 0.037,649 -0.104,650 -0.013,651 -0.121,652 0.021,653 -0.081,654 0.025,655 -0.116,656 0.023,657 -0.097,658 0.046,659 -0.046,660 -0.145,661 0.152,662 0.016,663 0.159,664 -0.126,665 0.118,666 2.282,667 6.334,668 0.59,669 41.198,670 0.995,671 1.128,672 2.221,673 4.934,674 0.652,675 3.784,676 4.127,677 4.369,678 4.673,679 4.883,680 4.963,681 5.106,682 5.204,683 5.236,684 5.187,685 8.418,686 0.614,687 527.73,688 3.784,689 5.342,690 6.188,691 7.081,692 7.946,693 8.843,694 9.716,695 10.615,696 11.494,697 12.392,698 6.6,703 1,705 2,706 1,708 1,714 4,715 9,716 1,717 1,720 4,722 21,734 1,741 76,743 23,744 2,745 43,747 80,748 31,749 17,750 4,751 8,756 5,757 9,763 3,767 4,770 6,772 19,773 12,774 1,777 2,782 2,786 2,793 37,794 7,795 4,796 8,802 5,808 0.4,809 3,822 1,824 1,828 1,829 4,832 1,833 2,843 1,856 1,859 2,864 3,868 39,876 7,877 3,878 1,880 1,882 1,893 3.9,896 2,898 1,901 19.917,902 14.283,903 8.403,904 4.767,907 4.017,908 1.478,909 0.984,910 8.317,911 12.414,912 4.034,913 4.642,914 5.218,915 5.84,916 6.369,917 6.674,918 7.06,919 7.403,920 7.542,921 7.486,922 1,923 61,924 14.549,926 6.259,927 0.026,929 7.66,931 28.105,933 23.537,936 2.16,937 84.25,941 388.446,942 161.003,943 87.603,945 61.29,948 161.003,949 449.736,950 87.603,951 26.476,952 52.906,953 84.857,954 89.791,955 46.96,956 20.678,957 376.675,959 388.446,960 248.606,961 61.29,964 258.964,965 190.772,968 101.068,969 112.743,970 34.796,972 388.446,973 148.893,974 161.003,977 388.446,978 49.67,979 111.333,980 70.818,981 78.075,982 388.446,983 148.893,984 161.003,986 0.583,987 0.325,988 0.187,989 0.1,990 29,991 13,992 0.125,993 10,994 3,995 1.261,996 4.86,997 385.377,998 0.261,999 23,1000 201.376,1005 27.325,1006 11.871,1007 6.672,1008 4.108,1009 132.108,1010 18.001,1011 4.902,1012 3.243,1015 4.531,1017 70.818,1018 698.342,1019 55.5,1024 25.936,1028 -0.87,1031 75.629,1032 85.763,1034 0.236,1035 0.59,1036 0.774,1037 0.858,1038 0.896,1039 0.9,1040 5.29,1041 1.986,1042 6.196,1043 5.934,1044 4.812,1045 5.33,1046 2.8,1047 7.033,1048 4.758,1049 6.506,1050 1.592,1051 7.769,1052 5.635,1053 4.511,1054 5.247,1055 2.29,1056 8.1,1057 4.432,1058 7.828,1059 1.546,1060 9.449,1061 3.888,1062 6.46,1063 7.572,1064 3.96,1065 11.143,1066 6.346,1067 9.187,1068 1.507,1069 11.193,1070 3.61,1071 6.967,1072 8.333,1073 4.056,1074 13.004,1075 6.824,1076 10.579,1077 1.347,1078 12.976,1079 3.329,1080 8.415,1081 10.168,1082 5.306,1083 15.602,1084 8.244,1085 11.995,1086 1.247,1087 14.786,1088 3.314,1089 9.279,1090 11.329,1091 5.681,1092 17.766,1093 9.075,1094 13.431,1095 1.236,1096 16.614,1097 2.902,1098 10.536,1099 12.97,1100 6.724,1101 20.222,1102 10.306,1103 3.226,1104 1.077,1105 18.456,1106 2.888,1107 11.558,1108 14.32,1109 7.255,1110 22.511,1111 11.295,1112 3.138,1113 11.348,1114 20.306,1115 2.65,1116 12.741,1117 15.882,1118 8.185,1119 24.921,1120 12.453,1121 3.082,1122 10.337,1123 22.165,1124 4.564,1125 13.832,1126 17.32,1127 8.808,1128 27.265,1129 13.513,1130 2.761,1131 10.157,1132 24.029,1133 4.474,1134 14.99,1135 18.849,1136 9.673,1137 29.662,1138 14.644,1139 2.532,1140 8.676,1141 25.898,1142 3.437,1143 16.111,1144 20.326,1145 10.353,1146 32.033,1147 15.736,1148 2.182,1149 8.37,1150 27.771,1151 3.245,1152 17.26,1153 21.843,1154 11.181,1155 34.429,1156 16.859,1157 2.089,1158 6.711,1159 29.648,1160 3.095,1161 18.396,1162 23.338,1163 11.897,1164 36.815,1165 17.968,1166 23924,1167 36140,1168 28.72,1169 49.574,1170 65.208,1171 66.869,1172 65.586,1173 64.41,1174 64.396,1175 82.566,1176 10.292,1177 187.285,1178 62.722,1179 5.605,1180 5.819,1181 6.515,1182 5.279,1183 5.226,1184 7.564,1185 3.892,1186 18.879,1187 5.162,1188 19.209,1189 1.516,1190 1.555,1191 1.525,1192 1.498,1193 1.498,1194 1.92,1195 0.239,1196 4.355,1197 1.459,1198 4.144,1199 4.178,1200 4.098,1201 4.062,1202 7.437,1203 4.067,1204 4.097,1205 4.128,1206 4.058,1207 4.023,1208 7.426,1209 4.028,1210 3.788,1211 3.83,1212 3.711,1213 3.651,1214 4.987,1215 3.637,1216 3.732,1217 3.78,1218 3.617,1219 3.587,1220 4.955,1221 3.602,1222 3.688,1223 3.744,1224 3.57,1225 3.516,1226 4.568,1227 3.519,1228 3.529,1229 3.603,1230 3.39,1231 3.355,1232 4.414,1233 3.354,1234 3.385,1235 3.444,1236 3.281,1237 3.217,1238 4.316,1239 3.227,1240 3.267,1241 3.322,1242 3.172,1243 3.105,1244 4.276,1245 3.102,1246 0.108,1247 0.089,1248 0.159,1249 0.098,1250 0.075,1251 4.64,1252 0.106,1253 3.819,1254 0.051,1255 6.829,1256 0.264,1257 4.207,1258 0.074,1259 3.226,1260 4.564,1261 2.189,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.158,1267 2.163,1268 1.434,1269 2.163,1270 1.942,1271 1.919,1272 2.039,1273 2.023,1274 1.243,1275 2.029,1276 1.754,1277 1.709,1278 1.949,1279 1.947,1280 1.159,1281 1.935,1282 1.727,1283 1.681,1284 1.948,1285 1.878,1286 1.118,1287 1.902,1288 1.679,1289 1.626,1290 1.874,1291 1.872,1292 1.068,1293 1.887,1294 1.547,1295 1.474,1296 1.779,1297 1.771,1298 1.013,1299 1.779,1300 1.365,1301 1.308,1302 1.533,1303 1.62,1304 0.754,1305 1.6,1306 1.234,1307 1.178,1308 1.463,1309 1.439,1310 0.617,1311 1.434,1312 4.466,1314 5.802,1315 2.398,1316 7.323,1317 4.727,1318 8.935,1319 6.823,1320 10.6,1322 5.4,1328 5.625,1329 9.376,1330 5.446,1332 -0.784,1334 -0.664,1340 46.68,1341 112.148,1342 280.009,1343 367.294,1344 407.558,1345 425.558,1346 427.558,1347 80.608,1348 8.398,1349 108.14,1350 108.14,1351 29,1352 12.919,1353 4.585,1354 3.755,1355 61.319,1356 198,1357 163,1358 0.144,1359 284.925,1360 491.79,1361 686.977,1362 64145,1364 27.407,1365 0.703,1366 0.587,1367 27.407,1368 22.895,1369 18.782,1370 0.437,1371 0.32,1372 13.602,1373 18.188,1374 13.196,1375 10.968,1376 18.782,1377 13.749,1378 17.725,1379 0.291,1380 0.182,1381 17.725,1382 11.117,1383 13.646,1384 0.175,1385 0.09,1386 13.646,1387 7.002,1388 12.147,1389 0.115,1390 0.05,1391 12.147,1392 5.25,1393 9.599,1394 0.073,1395 0.028,1396 9.599,1397 3.697,1398 0.229,1399 116.786,1400 0.187,1401 35.261,1402 0.386,1403 208,1404 542.183,1405 226.902,1406 526.733,1407 727.66,1408 494,1409 243,1410 544.686,1411 260.079,1412 551.019,1413 806.35,1414 520,1415 6.886}
{0 CHEMBL502725,1 1.461,2 16.75,3 6.877,4 47.292,5 162.434,6 7.028,7 0.378,8 4.464,9 4.584,10 3.992,11 4.025,12 5.411,13 3.979,14 5.079,15 5.264,16 4.374,17 4.475,18 5.946,19 4.4,20 5.38,21 5.603,22 4.492,23 4.662,24 6.24,25 4.553,26 5.467,27 5.709,28 4.429,29 4.669,30 6.308,31 4.537,32 5.48,33 5.732,34 4.365,35 4.652,36 6.277,37 4.508,38 5.469,39 5.724,40 4.305,41 4.632,42 6.27,43 4.462,44 5.453,45 5.734,46 4.167,47 4.539,48 6.201,49 4.347,50 5.283,51 5.558,52 4.077,53 4.4,54 6.003,55 4.222,56 0.049,57 1.114,58 18.125,59 8.062,60 9.225,61 10.893,62 0.277,63 1.915,64 36.385,65 14.053,66 26.194,67 19.384,68 0.466,69 2.473,70 51.927,71 18.986,72 43.353,73 26.714,74 0.55,75 2.628,76 56.918,77 20.424,78 61.62,79 28.861,80 0.616,81 2.592,82 57.187,83 20.806,84 58.79,85 29.351,86 0.586,87 2.547,88 57.361,89 21.028,90 61.502,91 29.832,92 0.604,93 2.4,94 60.383,95 20.575,96 66.122,97 29.217,98 0.464,99 2.033,100 53.15,101 17.642,102 45.369,103 24.897,104 21,105 64,106 0.223,107 0.521,108 0.726,109 0.836,110 0.858,111 0.861,112 3.717,113 1.019,114 -5.25,115 -5.14,116 -4.81,121 41.3,123 9,124 2,126 2,127 4,144 5,145 4,146 4,148 2,159 1,176 15,180 11,185 3,187 21,191 1,192 12,197 2,200 15,206 9,209 2,211 4,214 17,218 1,219 6,224 1,227 15,231 1,232 6,237 3,239 15,243 1,244 6,249 1,251 5,255 1,256 10,261 1,264 7,269 2,274 1,277 8,281 3180,282 27.635,283 27.635,284 27.635,285 27.635,286 27.635,287 25.531,288 35.637,289 16.121,290 28.318,291 22.118,292 22.118,293 22.118,294 22.118,295 22.118,296 18.569,297 40.229,298 7.521,299 23.06,300 4.861,301 2.906,302 1.555,303 0.838,304 0.694,305 0.669,306 4.435,308 1,312 1,313 1493,314 3.742,317 96.117,318 558.126,321 182.471,322 352.511,325 2.513,326 32.337,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.83,335 1,336 0.83,337 84.833,338 670,339 4.651,340 3.793,341 6.833,342 4.227,343 3.235,344 4.582,345 1.277,346 11.364,347 3.24,348 4.528,349 3.373,350 6.724,351 4.214,352 3.222,353 4.173,354 0.86,355 10.926,356 3.165,357 4.019,358 3.184,359 6.107,360 3.723,361 2.762,362 3.534,363 0.86,364 8.884,365 2.654,366 3.99,367 2.943,368 6.004,369 3.58,370 2.62,371 3.385,372 0.8,373 8.477,374 2.532,375 3.66,376 2.879,377 5.598,378 3.575,379 2.61,380 2.961,381 0.4,382 7.552,383 2.501,384 3.583,385 2.562,386 5.427,387 3.217,388 2.266,389 2.7,391 6.888,392 2.144,393 3.367,394 2.559,395 5.382,396 3.172,397 2.227,398 2.684,400 6.809,401 2.086,402 3.344,403 2.384,404 5.097,405 2.921,406 1.98,407 2.509,409 5.959,410 1.91,411 3.213,412 2.266,413 4.899,414 2.879,415 1.921,416 2.309,418 5.573,419 1.736,420 2.987,421 2.196,422 4.865,423 2.756,424 1.782,425 2.052,427 5.369,428 1.703,429 2.698,430 1.845,431 4.249,432 2.486,433 1.521,434 1.751,436 3.529,437 1.462,438 2.542,439 1.724,440 4.121,441 2.405,442 1.416,443 1.52,445 3.464,446 1.396,447 2.495,448 1.436,449 3.944,450 2.274,451 1.336,452 1.488,454 3.326,455 1.246,456 2.456,457 1.427,458 3.623,459 2.249,460 1.256,461 1.446,463 3.006,464 1.235,465 2.028,466 1.286,467 3.47,468 1.984,469 1,470 1,472 2.275,473 0.983,474 19.414,475 0.485,476 0.896,477 0.022,478 44.75,479 1.119,480 19,481 0.475,482 25.75,483 0.644,484 47.014,485 1.175,486 44.186,487 0.552,488 32.807,489 0.82,490 7.868,491 0.197,492 11.666,493 0.292,494 0.105,496 0.355,501 0.748,502 1.312,503 0.744,504 1.102,505 0.558,506 1.017,507 1.045,508 1.08,509 0.82,510 0.926,511 0.653,512 0.928,513 0.845,514 1.108,515 0.906,516 1.019,517 0.82,518 0.999,519 0.923,520 1.053,521 0.905,522 1.034,523 1.097,524 1.043,525 0.955,526 0.996,527 0.852,528 0.956,529 0.917,530 0.994,531 0.785,532 1.101,533 0.908,534 1.076,535 1.018,536 1.106,537 0.947,538 0.981,539 1.018,540 0.976,541 1.254,542 1.006,543 0.914,544 0.97,545 1.15,546 1.021,547 0.954,548 0.994,549 7.5,550 0.221,551 4.444,552 3.139,553 2.658,554 1.483,555 0.861,556 0.501,557 0.443,558 0.194,559 32152,560 73937,561 2.151,562 50,563 11,564 19,567 1,568 3,569 4,570 2,572 1.792,573 2.034,574 3.944,575 -0.442,582 116.902,583 1.461,584 3.416,585 4.767,586 5.484,587 5.628,588 5.653,589 3.327,590 5.172,591 5.3,592 4.21,593 3283.57,594 9.303,595 61304.7,600 505.754,601 1.337,602 5.263,603 0.167,604 0.006,605 0.069,606 0.045,607 0.043,608 0.026,609 0.017,610 0.012,611 0.011,612 0.005,613 0.4,614 0.17,615 0.75,616 0.681,617 231.282,618 0.003,619 -0.1,620 0.052,621 -0.025,622 0.041,623 0.022,624 -0.092,625 0.044,626 0.031,627 0.083,628 0.029,629 0.068,630 0.032,631 -0.046,632 0.004,633 -0.025,634 0.062,635 -0.006,636 -0.01,637 -0.02,638 -0.033,639 -0.067,640 -0.02,641 -0.065,642 -0.013,643 0.003,644 -0.009,645 0.005,646 -0.001,647 -0.018,648 0.04,649 -0.112,650 -0.04,651 -0.101,652 0.009,653 -0.117,654 -0.037,655 -0.039,656 -0.023,657 -0.007,658 -0.086,659 -0.023,660 -0.023,661 -0.023,662 -0.033,663 -0.028,664 -0.067,666 1.391,667 6.158,668 0.725,669 48.95,670 0.992,671 1.124,672 4.018,673 16.142,674 0.659,675 3.829,676 4.174,677 4.5,678 4.804,679 5.088,680 5.198,681 5.347,682 5.476,683 5.521,684 5.505,685 10.008,686 0.613,687 562.21,688 3.829,689 5.389,690 6.263,691 7.159,692 8.05,693 8.952,694 9.851,695 10.755,696 11.658,697 12.565,698 3.8,701 1,703 1,708 1,714 2,715 5,716 1,720 8,722 17,727 1,734 1,739 2,740 1,741 80,743 18,744 2,745 45,747 85,748 33,749 15,750 7,751 5,752 1,756 6,757 10,758 1,767 7,768 2,770 9,772 16,773 17,774 2,777 1,782 1,786 1,793 40,794 6,795 1,796 7,797 1,802 3,808 0.5,809 3,822 1,828 1,829 5,832 1,833 2,855 1,859 3,864 2,865 1,868 40,876 13,877 1,878 2,880 2,881 1,892 1,893 3.8,896 1,898 2,901 19.667,902 14.876,903 8.806,904 5.338,907 3.525,908 1.38,909 0.993,910 8.527,911 12.8,912 4.016,913 4.605,914 5.211,915 5.799,916 6.388,917 6.721,918 7.05,919 7.353,920 7.568,921 7.466,922 0.909,923 69,924 14.922,926 6.447,927 0.026,929 7.503,931 29.674,933 25.744,936 2.003,937 80.111,941 459.073,942 139.289,943 37.921,944 39.149,945 47.145,948 139.289,949 545.366,950 37.921,951 21.766,952 31.234,953 47.381,954 65.075,955 58.899,957 459.073,958 39.149,959 459.073,960 177.21,961 47.145,962 39.149,964 388.446,965 117.771,968 39.259,969 103.155,970 73.945,972 459.073,973 85.065,974 178.438,977 459.073,978 70.142,979 72.272,980 18.011,981 103.079,982 459.073,983 85.065,984 178.438,986 0.581,987 0.353,988 0.2,989 0.115,990 32,991 14,992 0.106,993 9,994 3,995 1.207,996 5.096,997 401.648,998 0.207,999 29,1000 206.877,1005 27.814,1006 12.263,1007 5.87,1008 2.186,1009 85.065,1010 9.941,1011 4.95,1015 7.927,1017 18.011,1018 722.576,1019 54.5,1024 13.158,1028 0.276,1031 79.399,1032 89.956,1034 0.231,1035 0.54,1036 0.754,1037 0.867,1038 0.89,1039 0.894,1040 5.29,1041 1.98,1042 6.252,1043 6.809,1044 4.86,1045 5.293,1046 2.14,1047 7.093,1048 4.791,1049 6.479,1050 1.921,1051 7.826,1052 5.959,1053 4.443,1054 5.19,1055 0.325,1056 8.03,1057 4.341,1058 7.794,1059 1.782,1060 9.499,1061 5.573,1062 6.482,1063 7.496,1064 2.2,1065 11.16,1066 6.372,1067 9.145,1068 1.521,1069 11.231,1070 5.369,1071 6.899,1072 8.245,1073 0.268,1074 12.935,1075 6.776,1076 10.532,1077 1.416,1078 13.001,1079 3.529,1080 8.391,1081 10.054,1082 2.45,1083 15.586,1084 8.262,1085 11.945,1086 1.336,1087 14.798,1088 3.464,1089 9.202,1090 11.193,1091 0.188,1092 17.72,1093 9.07,1094 13.378,1095 1.256,1096 16.615,1097 3.326,1098 10.48,1099 12.814,1100 2.807,1101 20.211,1102 10.343,1103 3.235,1104 1,1105 18.447,1106 3.006,1107 11.478,1108 14.141,1109 0.125,1110 22.501,1111 11.343,1112 3.222,1113 11.364,1114 20.291,1115 2.275,1116 12.674,1117 15.687,1118 3.225,1119 24.938,1120 12.535,1121 2.762,1122 10.926,1123 22.146,1124 4.582,1125 13.76,1126 17.104,1127 0.082,1128 27.296,1129 13.623,1130 2.62,1131 8.884,1132 24.009,1133 4.173,1134 14.928,1135 18.621,1136 3.677,1137 29.715,1138 14.788,1139 2.61,1140 8.477,1141 25.879,1142 3.534,1143 16.055,1144 20.082,1145 0.054,1146 32.104,1147 15.915,1148 2.266,1149 7.552,1150 27.756,1151 3.385,1152 17.216,1153 21.59,1154 4.146,1155 34.518,1156 17.074,1157 2.227,1158 6.888,1159 29.638,1160 2.961,1161 18.363,1162 23.074,1163 0.035,1164 36.921,1165 18.219,1166 29391,1167 44755,1168 30.63,1169 52.705,1170 67.168,1171 69.648,1172 69.852,1173 67.311,1174 67.195,1175 81.655,1176 8.395,1177 197.393,1178 64.56,1179 5.651,1180 5.793,1181 6.518,1182 5.268,1183 5.235,1184 7.582,1185 2.555,1186 18.902,1187 5.24,1188 18.31,1189 1.493,1190 1.548,1191 1.552,1192 1.496,1193 1.493,1194 1.815,1195 0.187,1196 4.387,1197 1.435,1198 4.125,1199 4.154,1200 4.129,1201 4.053,1202 7.426,1203 4.056,1204 4.047,1205 4.067,1206 4.003,1207 3.974,1208 5.039,1209 3.977,1210 3.869,1211 3.925,1212 3.782,1213 3.736,1214 4.912,1215 3.731,1216 3.737,1217 3.78,1218 3.747,1219 3.661,1220 4.685,1221 3.646,1222 3.627,1223 3.688,1224 3.51,1225 3.471,1226 4.495,1227 3.468,1228 3.521,1229 3.564,1230 3.433,1231 3.35,1232 4.375,1233 3.355,1234 3.295,1235 3.355,1236 3.341,1237 3.172,1238 4.293,1239 3.161,1240 3.25,1241 3.315,1242 3.079,1243 2.987,1244 4.205,1245 2.99,1246 0.103,1247 0.084,1248 0.152,1249 0.094,1250 0.072,1251 4.651,1252 0.102,1253 3.793,1254 0.028,1255 6.833,1256 0.253,1257 4.227,1258 0.072,1259 3.235,1260 4.582,1261 1.277,1262 11.364,1263 3.24,1264 2.07,1265 2.047,1266 2.149,1267 2.159,1268 1.497,1269 2.159,1270 1.89,1271 1.872,1272 2.092,1273 2.052,1274 1.435,1275 2.069,1276 1.879,1277 1.834,1278 1.957,1279 1.978,1280 1.241,1281 1.968,1282 1.75,1283 1.709,1284 1.928,1285 1.864,1286 1.171,1287 1.893,1288 1.648,1289 1.589,1290 1.878,1291 1.83,1292 1.131,1293 1.851,1294 1.517,1295 1.46,1296 1.749,1297 1.705,1298 1.05,1299 1.722,1300 1.266,1301 1.218,1302 1.575,1303 1.522,1304 0.825,1305 1.538,1306 1.232,1307 1.185,1308 1.567,1309 1.521,1310 0.759,1311 1.533,1312 4.511,1314 5.849,1315 2.398,1316 7.391,1317 4.844,1318 9.029,1319 7.018,1320 10.72,1322 3.266,1323 6.283,1328 14.153,1329 3.797,1330 10.878,1332 0.7,1333 2.596,1340 49.045,1341 116.902,1342 273.297,1343 381.351,1344 438.735,1345 450.244,1346 452.244,1347 72.531,1348 9.275,1349 63.69,1350 63.69,1351 35,1352 13.083,1353 4.248,1354 3.392,1355 57.864,1356 250,1357 201,1358 0.111,1359 297.315,1360 523.42,1361 717.209,1362 198273,1363 1.3,1364 27.639,1365 0.691,1366 0.612,1367 28.139,1368 24.487,1369 19.534,1370 0.434,1371 0.34,1372 14.766,1373 18.619,1374 14.368,1375 11.819,1376 19.822,1377 15.279,1378 17.444,1379 0.273,1380 0.19,1381 17.852,1382 12.148,1383 15.505,1384 0.174,1385 0.106,1386 15.767,1387 9.45,1388 13.251,1389 0.11,1390 0.06,1391 13.485,1392 7.219,1393 11.358,1394 0.071,1395 0.035,1396 11.59,1397 5.583,1398 0.183,1399 124.659,1400 0.181,1401 36.722,1402 0.282,1403 218,1404 539.033,1405 247.236,1406 546.564,1407 749.06,1408 516,1409 262,1410 529.21,1411 287.002,1412 548.732,1413 810.41,1414 517,1415 9.569}
{0 CHEMBL502877,1 1.371,2 21.318,3 5.604,4 31.407,5 180.398,6 6.09,7 0.261,8 4.641,9 4.782,10 4.02,11 4.103,12 5.569,13 4.045,14 5.245,15 5.472,16 4.293,17 4.479,18 6.071,19 4.384,20 5.508,21 5.762,22 4.399,23 4.669,24 6.306,25 4.544,26 5.633,27 5.886,28 4.37,29 4.737,30 6.463,31 4.583,32 5.706,33 5.991,34 4.321,35 4.762,36 6.46,37 4.579,38 5.706,39 6.002,40 4.262,41 4.743,42 6.398,43 4.552,44 5.66,45 5.947,46 4.185,47 4.701,48 6.433,49 4.495,50 5.626,51 5.939,52 4.086,53 4.602,54 6.294,55 4.385,56 0.092,57 1.377,58 24.821,59 9.596,60 13.78,61 14.004,62 0.531,63 2.164,64 45.131,65 14.634,66 35.775,67 22.491,68 0.55,69 2.633,70 57.577,71 19.489,72 45.906,73 29.38,74 0.775,75 2.822,76 65.149,77 22.216,78 74.153,79 32.982,80 0.755,81 2.957,82 68.698,83 23.678,84 77.957,85 35.713,86 0.68,87 2.91,88 68.245,89 23.414,90 64.491,91 35.435,92 0.867,93 2.759,94 65.351,95 23.391,96 94.925,97 34.565,98 0.523,99 2.578,100 62.014,101 21.667,102 55.624,103 32.866,104 53,105 58,106 0.202,107 0.423,108 0.641,109 0.728,110 0.733,111 0.733,112 3.809,113 1.091,114 -4.45,115 -4.38,116 -4.13,121 36,122 2,123 8,126 2,127 10,144 8,145 2,146 2,160 2,176 14,179 2,180 14,187 12,191 1,192 12,200 6,205 2,206 12,214 6,218 2,219 10,227 8,232 6,239 14,243 5,244 6,251 15,256 6,264 10,269 12,277 9,281 5052,282 30.275,283 30.275,284 30.275,285 30.275,286 30.275,287 28.512,288 39.379,289 18.483,290 31.08,291 22.44,292 22.44,293 22.44,294 22.44,295 22.44,296 19.652,297 46.265,298 8.423,299 23.421,300 5.273,301 3.776,302 2.3,303 1.71,304 1.67,305 1.67,306 4.494,312 1,313 1944,314 5.568,318 590.999,325 3.835,326 34.481,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 94,338 938,339 4.206,340 3.745,341 6.159,342 3.84,343 2.882,344 3.805,345 1.94,346 9.118,347 2.773,348 4.206,349 3.686,350 6.159,351 3.84,352 2.875,353 3.805,354 1.94,355 9.118,356 2.773,357 4.017,358 3.188,359 6.091,360 3.835,361 2.875,362 3.163,363 0.916,364 8.788,365 2.745,366 3.856,367 3.188,368 5.938,369 3.621,370 2.644,371 3.029,372 0.916,373 8.264,374 2.574,375 3.43,376 2.729,377 5.284,378 3.303,379 2.38,380 2.467,381 0.86,382 6.713,383 2.196,384 3.429,385 2.729,386 5.284,387 3.302,388 2.379,389 2.467,390 0.86,391 6.713,392 2.195,393 2.968,394 2.516,395 4.396,396 2.841,397 1.847,398 2.088,399 0.555,400 4.424,401 1.826,402 2.917,403 1.999,404 4.316,405 2.677,406 1.695,407 2.088,408 0.555,409 4.045,410 1.661,411 2.917,412 1.958,413 4.315,414 2.529,415 1.561,416 1.981,417 0.172,418 4.031,419 1.513,420 2.848,421 1.957,422 4.09,423 2.483,424 1.535,425 1.955,426 0.172,427 3.723,428 1.446,429 2.839,430 1.693,431 3.658,432 2.461,433 1.476,434 1.932,436 3.128,437 1.438,438 2.663,439 1.69,440 3.63,441 2.421,442 1.426,443 1.666,445 3.035,446 1.417,447 2.562,448 1.505,449 3.609,450 2.386,451 1.389,452 1.539,454 2.988,455 1.381,456 2.324,457 1.505,458 3.573,459 2.161,460 1.181,461 1.259,463 2.798,464 1.149,465 2,466 1.146,467 3.414,468 1.967,469 1,470 1,472 2.275,473 0.965,474 20.933,475 0.476,476 0.691,477 0.016,478 43.5,479 0.989,480 16,481 0.364,482 27.5,483 0.625,484 53.871,485 1.224,486 52.267,487 0.523,488 34.795,489 0.791,490 8.386,491 0.191,492 13.096,493 0.298,494 0.127,496 0.22,501 0.786,502 1.674,503 1.002,504 1.422,505 0.566,506 1.262,507 1.161,508 1.136,509 1.087,510 1.025,511 0.658,512 1.029,513 1.065,514 1.052,515 1.032,516 1.037,517 0.967,518 1.02,519 1.262,520 1.129,521 1.157,522 1.122,523 1.514,524 1.132,525 0.923,526 1.032,527 1.018,528 1.029,529 1.208,530 1.035,531 0.944,532 0.933,533 1,534 0.962,535 0.763,536 0.98,537 0.822,538 0.98,539 1.05,540 1.065,541 0.791,542 1.088,543 0.703,544 1.02,545 0.874,546 1.004,547 0.858,548 0.969,549 7,550 0.248,551 4.444,552 2.25,553 1.867,554 1.111,555 0.689,556 0.448,557 0.353,558 0.242,559 43304,560 91380,561 1.995,562 56,563 8,564 34,568 4,569 10,572 1.814,573 1.886,574 4.322,575 -0.813,582 137.056,583 1.371,584 2.868,585 4.343,586 4.934,587 4.974,588 4.974,589 3.698,590 4.243,591 5.432,592 4.606,593 4357.28,594 9.565,595 97386,600 664.386,601 1.293,602 5.398,603 0.152,604 0.006,605 0.077,606 0.036,607 0.032,608 0.02,609 0.013,610 0.01,611 0.008,612 0.006,613 0.36,614 0.17,615 0.75,616 0.831,617 269.202,618 0.036,619 -0.309,620 0.062,621 -0.147,622 0.029,623 -0.057,624 -0.04,625 0.05,626 -0.025,627 0.026,628 0.016,629 0.008,630 -0.055,631 0.042,632 -0.01,633 -0.008,634 -0.014,636 -0.075,637 -0.095,638 -0.131,639 -0.097,640 -0.12,641 -0.121,642 -0.008,643 -0.045,644 -0.039,645 -0.038,646 -0.066,647 -0.043,648 -0.067,649 0.038,650 -0.03,651 0.011,652 -0.024,653 -0.001,654 0.073,655 -0.015,656 -0.081,657 -0.069,658 0.089,659 -0.093,660 0.036,661 -0.108,662 0.062,663 -0.042,664 -0.008,665 0.004,666 1.438,667 5.802,668 0.409,669 81.182,670 0.987,671 1.136,672 3.222,673 10.381,674 0.616,675 3.85,676 4.078,677 4.29,678 4.419,679 4.554,680 4.511,681 4.489,682 4.394,683 4.394,684 4.394,685 12.853,686 0.566,687 608.96,688 3.85,689 5.342,690 6.151,691 6.974,692 7.797,693 8.626,694 9.452,695 10.283,696 11.112,697 11.943,698 4,701 2,705 2,715 8,720 4,722 12,739 2,741 100,743 14,744 2,745 46,747 102,748 36,749 12,750 4,751 8,756 3,757 3,763 2,770 8,772 14,773 22,777 2,782 2,786 2,793 56,794 8,796 8,802 4,808 1,809 4,829 3,844 2,855 2,859 3,864 4,868 44,876 18,878 2,881 4,893 4,896 2,898 2,901 23.333,902 18.633,903 10.444,904 6.725,907 1.675,908 1.214,909 0.922,910 16.838,911 9.517,912 4.007,913 4.407,914 4.808,915 5.152,916 5.516,917 5.399,918 5.449,919 5.39,920 5.376,921 5.332,922 0.929,923 63,924 16.42,926 6.55,927 0.026,929 7.545,931 32.483,933 25.781,936 2.045,937 90,941 659.182,942 182.827,943 12.497,945 72.29,948 182.827,949 731.471,950 12.497,951 39.417,952 47.582,953 75.81,954 59.699,955 45.106,957 659.182,959 659.182,960 195.324,961 72.29,964 541.471,965 190.001,968 71.481,969 123.843,972 659.182,973 84.787,974 182.827,977 659.182,978 67.601,979 127.724,981 72.29,982 659.182,983 84.787,984 182.827,986 0.552,987 0.33,988 0.17,989 0.088,990 19,991 10,992 0.196,993 20,995 1,996 5.575,997 383.795,999 18,1000 192.215,1005 36.031,1006 20.562,1007 12.471,1009 84.787,1010 16.397,1015 4.302,1018 926.796,1019 54,1024 25.603,1028 0.458,1031 98.69,1032 113.626,1034 0.206,1035 0.432,1036 0.654,1037 0.743,1038 0.749,1039 0.749,1040 5.215,1041 1.695,1042 6.08,1043 4.424,1044 4.762,1045 5.094,1046 3.013,1047 6.795,1048 4.683,1049 6.323,1050 1.561,1051 7.583,1052 4.045,1053 4.111,1054 4.635,1055 2.339,1056 7.554,1057 3.971,1058 7.567,1059 1.535,1060 9.189,1061 4.031,1062 6.263,1063 7.024,1064 3.737,1065 10.588,1066 6.1,1067 8.844,1068 1.476,1069 10.858,1070 3.723,1071 6.494,1072 7.44,1073 3.823,1074 12.193,1075 6.264,1076 10.158,1077 1.426,1078 12.567,1079 3.128,1080 8.029,1081 9.289,1082 4.841,1083 14.702,1084 7.782,1085 11.496,1086 1.389,1087 14.304,1088 3.035,1089 8.675,1090 10.115,1091 5.232,1092 16.638,1093 8.367,1094 12.853,1095 1.181,1096 16.059,1097 2.988,1098 9.943,1099 11.737,1100 6.078,1101 18.957,1102 9.615,1103 2.882,1104 1,1105 17.826,1106 2.798,1107 10.793,1108 12.773,1109 6.605,1110 21.034,1111 10.411,1112 2.875,1113 9.118,1114 19.603,1115 2.275,1116 11.94,1117 14.279,1118 7.363,1119 23.279,1120 11.533,1121 2.875,1122 9.118,1123 21.387,1124 3.805,1125 12.889,1126 15.431,1127 7.956,1128 25.419,1129 12.434,1130 2.644,1131 8.788,1132 23.176,1133 3.805,1134 13.981,1135 16.872,1136 8.669,1137 27.633,1138 13.497,1139 2.38,1140 8.264,1141 24.969,1142 3.163,1143 14.979,1144 18.094,1145 9.296,1146 29.802,1147 14.451,1148 2.379,1149 6.713,1150 26.764,1151 3.029,1152 16.047,1153 19.495,1154 9.985,1155 32.005,1156 15.486,1157 1.847,1158 6.713,1159 28.562,1160 2.467,1161 17.07,1162 20.759,1163 10.629,1164 34.188,1165 16.467,1166 42242,1167 61514,1168 30.394,1169 61.637,1170 64.915,1171 66.713,1172 67.855,1173 64.644,1174 64.656,1175 75.426,1176 17.779,1177 169.83,1178 62.179,1179 5.206,1180 5.745,1181 5.932,1182 4.908,1183 4.882,1184 6.805,1185 3.348,1186 15.307,1187 4.773,1188 24.066,1189 1.411,1190 1.45,1191 1.475,1192 1.405,1193 1.406,1194 1.64,1195 0.386,1196 3.692,1197 1.352,1198 3.988,1199 4.032,1200 3.909,1201 3.886,1202 7.429,1203 3.886,1204 3.925,1205 3.956,1206 3.861,1207 3.845,1208 7.425,1209 3.844,1210 3.884,1211 3.935,1212 3.798,1213 3.711,1214 4.876,1215 3.721,1216 3.758,1217 3.816,1218 3.627,1219 3.617,1220 4.847,1221 3.608,1222 3.718,1223 3.785,1224 3.578,1225 3.552,1226 4.395,1227 3.55,1228 3.608,1229 3.673,1230 3.489,1231 3.414,1232 4.392,1233 3.419,1234 3.542,1235 3.62,1236 3.372,1237 3.368,1238 4.315,1239 3.358,1240 3.386,1241 3.453,1242 3.227,1243 3.19,1244 4.256,1245 3.187,1246 0.091,1247 0.081,1248 0.134,1249 0.083,1250 0.063,1251 4.206,1252 0.083,1253 3.745,1254 0.042,1255 6.159,1256 0.198,1257 3.84,1258 0.06,1259 2.882,1260 3.805,1261 1.94,1262 9.118,1263 2.773,1264 1.913,1265 1.887,1266 2.052,1267 2.047,1268 1.371,1269 2.048,1270 1.913,1271 1.887,1272 2.047,1273 2.031,1274 1.361,1275 2.038,1276 1.823,1277 1.766,1278 2.009,1279 2.022,1280 1.273,1281 2.02,1282 1.76,1283 1.701,1284 1.982,1285 1.924,1286 1.194,1287 1.945,1288 1.707,1289 1.638,1290 1.935,1291 1.893,1292 1.184,1293 1.914,1294 1.579,1295 1.509,1296 1.842,1297 1.796,1298 1.033,1299 1.812,1300 1.544,1301 1.466,1302 1.829,1303 1.754,1304 1.025,1305 1.785,1306 1.367,1307 1.299,1308 1.661,1309 1.598,1310 0.902,1311 1.619,1312 4.533,1314 5.784,1316 7.228,1318 8.757,1320 10.331,1322 7.823,1328 15.659,1330 11,1333 8.759,1340 56.642,1341 137.056,1342 286.798,1343 434.347,1344 493.366,1345 497.366,1346 497.366,1347 127.639,1348 7.842,1349 65.56,1350 65.56,1351 18,1352 12.515,1353 3.907,1354 3.17,1355 103.086,1356 348,1357 266,1358 0.138,1359 353.658,1360 630.52,1361 854.684,1362 39090,1364 31.572,1365 0.718,1366 0.631,1367 31.572,1368 27.769,1369 21.481,1370 0.467,1371 0.364,1372 16.494,1373 20.616,1374 15.999,1375 13.371,1376 21.481,1377 16.726,1378 17.351,1379 0.299,1380 0.202,1381 17.351,1382 11.744,1383 14.578,1384 0.202,1385 0.122,1386 14.578,1387 8.782,1388 11.005,1389 0.134,1390 0.073,1391 11.005,1392 5.945,1393 8.304,1394 0.088,1395 0.043,1396 8.304,1397 4.032,1398 0.234,1399 134.649,1400 0.181,1401 40.863,1402 0.335,1403 208,1404 549.523,1405 227.178,1406 517.176,1407 693.56,1408 488,1409 234,1410 484.223,1411 254.347,1412 489.938,1413 705.4,1414 458,1415 7.59}
{0 CHEMBL503392,1 2.1,2 7.13,3 3.162,4 9.996,5 69.623,6 11.396,7 0.24,8 3.628,9 3.677,10 3.667,11 3.199,12 4.998,13 3.233,14 4.226,15 4.321,16 4.077,17 3.621,18 5.851,19 3.664,20 4.543,21 4.671,22 4.358,23 3.73,24 6.471,25 3.802,26 4.561,27 4.672,28 4.348,29 3.611,30 6.616,31 3.715,32 4.442,33 4.533,34 4.202,35 3.371,36 6.704,37 3.546,38 4.095,39 4.166,40 3.867,41 3.101,42 6.366,43 3.288,44 3.977,45 4.133,46 3.452,47 2.872,48 5.985,49 3.017,50 3.805,51 4.037,52 2.749,53 2.435,54 5.421,55 2.547,56 0.467,57 0.883,58 2.373,59 3.542,60 111.563,61 2.291,62 1.027,63 1.465,64 4.913,65 6.137,66 218.357,67 4.8,68 1.872,69 2.137,70 16.252,71 8.662,72 392.268,73 6.997,74 1.941,75 1.988,76 20.344,77 8.503,78 444.722,79 5.54,80 1.965,81 1.516,82 16.026,83 6.705,84 453.575,85 3.356,86 1.373,87 1.155,88 5.441,89 4.683,90 309.117,91 2.553,92 1.339,93 1.078,94 6.154,95 4.435,96 267.723,97 2.991,98 1.3,99 0.753,100 9.49,101 3.839,102 240.692,103 2.373,104 65,105 40,106 0.395,107 0.608,108 0.698,109 0.781,110 0.822,111 0.822,112 3.191,113 0.956,114 -4.3,115 -4.24,116 -4,121 41.9,123 4,138 1,140 1,146 6,160 1,176 4,179 4,180 2,187 4,192 7,200 2,205 2,206 8,219 3,281 628,282 14.568,283 14.568,284 14.568,285 14.568,286 14.568,287 12.933,288 14.428,289 7.879,290 14.941,291 12.17,292 12.17,293 12.17,294 12.17,295 12.17,296 9.592,297 14.334,298 3.613,299 12.962,300 2.854,301 1.717,302 1.238,303 0.799,304 0.581,305 0.581,306 3.851,311 1,312 1,313 344,314 2.828,317 42.489,318 123.019,321 84.749,325 0.866,326 86.425,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 57,338 164,339 5.083,340 4.831,341 7.909,342 4.646,343 3.708,344 4.864,345 1.416,346 14.874,347 3.459,348 4.6,349 3.758,350 6.933,351 4.141,352 3.213,353 4.362,354 1.058,355 11.37,356 2.96,357 3.922,358 3.514,359 6.218,360 3.478,361 2.479,362 3.296,364 8.653,365 2.465,366 3.756,367 3.006,368 6.097,369 3.363,370 2.434,371 3.1,373 8.396,374 2.231,375 3.637,376 2.935,377 5.791,378 3.2,379 2.303,380 3,382 7.292,383 2.033,384 3.231,385 2.484,386 5.547,387 2.886,388 1.914,389 2.334,391 6.151,392 1.841,393 2.446,394 1.86,395 4.063,396 2.3,397 1.323,398 1.415,400 3.01,401 1.284,402 2.153,403 1.838,404 3.812,405 2.037,406 1.04,407 1.106,409 2.693,410 1.034,411 1.953,412 1.619,413 3.618,414 1.524,415 0.618,416 0.73,418 1.587,419 0.533,420 1.781,421 1.474,422 3.614,423 1.409,424 0.6,425 0.686,427 1.464,428 0.475,429 1.33,430 1.235,431 3.255,432 0.947,433 0.126,434 0.138,436 0.284,437 0.098,438 1,439 0.494,440 2.794,441 0.437,442 -0.505,443 -0.57,445 -1.371,446 -0.444,447 0.709,448 0.077,449 2.42,450 0.355,451 -0.574,452 -0.667,454 -1.415,455 -0.552,456 0.641,457 -0.337,458 2.181,459 0.11,460 -0.886,461 -1.024,463 -2.151,464 -0.883,465 0.305,466 -0.437,467 2,469 -1,470 -1.414,472 -3,473 -0.978,474 10.162,475 0.442,476 0.981,477 0.043,478 27.5,479 1.196,480 12.5,481 0.543,482 15,483 0.652,484 19.81,485 0.861,486 27.038,487 0.872,488 25.028,489 1.088,490 5.309,491 0.231,492 5.382,493 0.234,494 0.239,495 0.082,496 0.482,499 5,501 0.552,502 0.911,503 0.682,504 1.232,505 0.593,506 0.903,507 0.593,508 0.889,509 0.621,510 0.923,511 0.604,512 0.899,513 0.621,514 0.794,515 0.76,516 1.082,517 0.667,518 0.91,519 0.771,520 0.764,521 1.102,522 1.193,523 0.843,524 0.975,525 0.958,526 0.806,527 1.001,528 0.925,529 1.047,530 0.816,531 0.958,532 1.196,533 0.677,534 0.975,535 0.994,536 1.025,537 1.333,538 1.463,539 1.063,540 1,541 1.216,542 1.322,543 2.045,544 1.469,545 1.743,546 0.819,547 1.846,548 1.365,549 5.5,551 4.667,552 4.208,553 2.477,554 1.358,555 0.716,556 0.315,557 0.121,558 0.025,559 4204,560 21847,561 1.932,562 25.8,563 6,569 2,572 1.669,573 1.693,574 2.809,575 -0.558,577 1,579 1,582 65.11,583 2.1,584 3.237,585 3.717,586 4.156,587 4.374,588 4.374,589 2.137,590 4.002,591 4.501,592 2.907,593 735.417,594 7.807,595 7837.81,596 1,597 1,598 1,599 1,600 153.58,601 1.688,602 4.373,603 0.22,605 0.117,606 0.088,607 0.056,608 0.036,609 0.025,610 0.017,611 0.015,612 0.012,613 0.585,614 0.33,615 1,616 0.727,617 102.42,618 0.023,619 -0.046,620 0.136,621 -0.094,622 0.004,623 0.007,624 0.068,625 -0.1,626 0.158,627 0.023,628 0.064,629 0.051,630 0.216,631 0.082,632 0.294,633 -0.048,634 0.167,635 0.141,636 0.121,637 0.066,638 0.066,639 -0.109,640 0.098,641 0.02,642 0.074,643 0.053,644 0.003,645 0.033,646 0.061,647 0.065,648 0.098,649 -0.213,650 0.023,651 -0.146,652 0.095,653 -0.218,654 -0.159,655 -0.25,656 -0.253,657 -0.179,658 -0.118,659 -0.37,660 -0.691,661 -0.124,662 -0.682,663 0.035,664 -0.618,665 -0.275,666 5.571,667 5.851,668 0.652,669 12.96,670 1.098,671 1.169,672 3.07,673 9.424,674 0.686,675 3.258,676 3.714,677 4.094,678 4.407,679 4.644,680 4.691,681 4.771,682 4.828,683 4.754,684 4.605,685 4.41,686 0.724,687 353.29,688 3.258,689 4.875,690 5.796,691 6.749,692 7.69,693 8.647,694 9.595,695 10.553,696 11.505,697 12.463,698 3.2,705 1,720 6,722 6,740 5,741 31,743 10,744 1,745 25,747 33,748 13,749 6,750 6,752 3,756 3,757 4,767 4,770 4,772 9,773 4,777 4,780 1,782 3,786 3,789 1,790 1,791 5,793 8,794 9,796 10,797 1,802 1,808 0.667,809 3,828 1,829 2,832 1,849 1,850 1,859 2,862 1,866 5,868 23,872 1,876 4,881 1,892 5,893 9.7,896 3,901 13.583,902 5.831,903 4.861,904 1.951,907 1.674,908 1.238,909 1.02,910 3.585,911 8.713,912 3.497,913 4.212,914 4.79,915 5.335,916 5.808,917 5.982,918 6.19,919 6.467,920 6.61,921 6.651,922 0.8,923 48,924 9.752,926 5.819,927 0.026,929 9.192,931 14.891,933 13.16,936 3.692,937 84.917,941 94.169,942 73.748,943 1.519,945 69.458,946 74.801,947 5.807,948 67.941,949 163.627,950 76.319,952 11.657,953 5.807,954 75.713,955 51.547,956 74.801,957 94.169,959 94.169,960 69.459,961 144.258,962 5.807,964 145.427,965 93,968 11.657,969 56.252,970 7.358,972 168.969,973 70.976,974 73.748,976 5.807,977 94.169,978 67.941,979 1.519,981 144.258,982 94.169,983 145.777,984 73.748,986 0.621,987 0.403,988 0.216,989 0.116,990 22,991 12,992 0.03,993 1,994 1,995 1.133,996 3.101,997 204.616,998 0.133,999 15,1000 94.042,1004 1,1005 16.104,1006 5.12,1007 2.054,1009 145.777,1015 -13.541,1018 313.694,1019 32,1022 -4.654,1024 36.835,1028 -1.763,1031 34.025,1032 36.236,1034 0.424,1035 0.653,1036 0.75,1037 0.839,1038 0.883,1039 0.883,1040 4.832,1041 1.04,1042 5.894,1043 3.01,1044 4.394,1045 4.898,1046 1.981,1047 6.903,1048 4.265,1049 6.14,1050 0.618,1051 7.601,1052 2.693,1053 4.443,1054 5.278,1056 8.32,1057 4.213,1058 7.562,1059 0.6,1060 9.418,1061 1.587,1062 6.232,1063 7.323,1064 2.447,1065 11.503,1066 5.972,1067 9.024,1068 0.126,1069 11.295,1070 1.464,1071 7.048,1072 8.444,1074 13.711,1075 6.676,1076 10.52,1077 -0.505,1078 13.211,1079 0.284,1080 8.447,1081 10.121,1082 2.993,1083 16.525,1084 8.039,1085 12.038,1086 -0.574,1087 15.154,1088 -1.371,1089 9.556,1090 11.51,1092 19.037,1093 9.049,1094 13.575,1095 -0.886,1096 17.117,1097 -1.415,1098 10.856,1099 13.094,1100 3.598,1101 21.756,1102 10.298,1103 3.708,1104 -1,1105 19.097,1106 -2.151,1107 12.077,1108 14.584,1110 24.382,1111 11.433,1112 3.213,1113 14.874,1114 21.091,1115 -3,1116 13.36,1117 16.147,1118 4.241,1119 27.078,1120 12.654,1121 2.479,1122 11.37,1123 23.097,1124 4.864,1125 14.623,1126 17.678,1128 29.747,1129 13.841,1130 2.434,1131 8.653,1132 25.112,1133 4.362,1134 15.909,1135 19.238,1136 4.907,1137 32.439,1138 15.06,1139 2.303,1140 8.396,1141 27.136,1142 3.296,1143 17.191,1144 20.788,1146 35.125,1147 16.27,1148 1.914,1149 7.292,1150 29.167,1151 3.1,1152 18.482,1153 22.349,1154 5.587,1155 37.819,1156 17.493,1157 1.323,1158 6.151,1159 31.203,1160 3,1161 19.773,1162 23.909,1164 40.512,1165 18.714,1166 4288,1167 9955,1168 15.145,1169 21.273,1170 39.626,1171 43.856,1172 43.315,1173 39.446,1174 39.519,1175 50.062,1176 4.949,1177 131.549,1178 36.828,1179 6.041,1180 6.831,1181 7.587,1182 5.709,1183 5.708,1184 7.864,1185 2.833,1186 23.524,1187 5.459,1188 15.61,1189 1.585,1190 1.754,1191 1.733,1192 1.578,1193 1.581,1194 2.002,1195 0.198,1196 5.262,1197 1.473,1198 4.161,1199 4.143,1200 4.766,1201 4.123,1202 8.281,1203 4.049,1204 3.889,1205 3.904,1206 3.936,1207 3.775,1208 8.225,1209 3.792,1210 3.591,1211 3.606,1212 3.616,1213 3.483,1214 8.194,1215 3.418,1216 3.186,1217 3.2,1218 3.202,1219 2.997,1220 8.156,1221 2.993,1222 3.002,1223 3.034,1224 3.047,1225 2.724,1226 8.141,1227 2.787,1228 2.937,1229 2.971,1230 2.928,1231 2.717,1232 7.716,1233 2.752,1234 2.903,1235 2.936,1236 2.722,1237 2.709,1238 7.425,1239 2.685,1240 2.586,1241 2.643,1242 2.463,1243 2.297,1244 6.999,1245 2.334,1246 0.203,1247 0.193,1248 0.316,1249 0.186,1250 0.148,1251 5.083,1252 0.195,1253 4.831,1254 0.057,1255 7.909,1256 0.595,1257 4.646,1258 0.138,1259 3.708,1260 4.864,1261 1.416,1262 14.874,1263 3.459,1264 1.904,1265 1.906,1266 2.039,1267 2.006,1268 1.419,1269 2.035,1270 1.847,1271 1.83,1272 1.825,1273 1.988,1274 1.021,1275 1.958,1276 1.472,1277 1.511,1278 1.45,1279 1.639,1280 0.789,1281 1.663,1282 1.204,1283 1.174,1284 1.323,1285 1.4,1286 0.689,1287 1.397,1288 1.009,1289 0.926,1290 1.07,1291 1.254,1292 0.382,1293 1.289,1294 0.768,1295 0.751,1296 0.744,1297 1.086,1299 0.972,1300 0.659,1301 0.653,1302 0.691,1303 0.94,1305 0.868,1306 0.401,1307 0.349,1308 0.67,1309 0.772,1311 0.763,1312 3.932,1314 5.352,1315 2.398,1316 6.982,1317 5.043,1318 8.707,1319 7.38,1320 10.482,1324 67.377,1328 0.982,1333 -0.32,1340 22.43,1341 65.11,1342 100.361,1343 115.216,1344 128.825,1345 135.58,1346 135.58,1347 92.619,1348 7.04,1349 54.45,1350 62.83,1351 17,1352 12.948,1353 3.459,1354 3,1355 36.363,1356 60,1357 55,1358 0.313,1359 134.559,1360 258.51,1361 320.083,1362 8643,1363 16.1,1364 17.102,1365 0.744,1366 0.527,1367 13.001,1368 12.115,1369 10.691,1370 0.428,1371 0.319,1372 6.46,1373 9.184,1374 6.341,1375 5.11,1376 9.41,1377 7.963,1378 10.634,1379 0.266,1380 0.173,1381 9.422,1382 6.91,1383 9.822,1384 0.166,1385 0.097,1386 8.37,1387 5.704,1388 8.021,1389 0.099,1390 0.056,1391 7.975,1392 4.576,1393 6.365,1394 0.062,1395 0.032,1396 6.209,1397 3.345,1398 0.454,1399 78.42,1400 0.257,1401 21.324,1402 0.989,1403 130,1404 786.268,1405 198.644,1406 632.501,1407 795.12,1408 574,1409 164,1410 513.745,1411 249.318,1412 519.548,1413 786.26,1414 486,1415 4}
{0 CHEMBL504571,1 1.478,2 17.784,3 6.207,4 38.529,5 200.196,6 6.804,7 0.393,8 4.697,9 4.832,10 4.18,11 4.215,12 5.701,13 4.179,14 5.283,15 5.476,16 4.556,17 4.634,18 6.28,19 4.566,20 5.607,21 5.842,22 4.635,23 4.799,24 6.539,25 4.707,26 5.647,27 5.895,28 4.639,29 4.789,30 6.611,31 4.699,32 5.629,33 5.849,34 4.611,35 4.799,36 6.72,37 4.702,38 5.688,39 5.936,40 4.541,41 4.836,42 6.613,43 4.696,44 5.751,45 6.031,46 4.506,47 4.781,48 6.69,49 4.63,50 5.682,51 5.969,52 4.418,53 4.651,54 6.63,55 4.526,56 0.079,57 1.508,58 23.321,59 9.47,60 13.677,61 13.345,62 0.525,63 2.449,64 44.038,65 16.215,66 56.701,67 23.655,68 0.794,69 3.097,70 63.448,71 20.758,72 88.904,73 30.66,74 0.755,75 3.172,76 66.485,77 20.485,78 99.159,79 31.046,80 1.312,81 3.108,82 65.713,83 20.286,84 166.424,85 29.882,86 0.818,87 3.226,88 68.577,89 23.988,90 117.466,91 35.291,92 1.005,93 3.245,94 74.708,95 24.152,96 137.826,97 36.624,98 1.084,99 2.897,100 71.432,101 20.663,102 134.48,103 31.396,104 41,105 78,106 0.214,107 0.503,108 0.668,109 0.75,110 0.784,111 0.793,112 3.954,113 0.99,114 -3.4,115 -3.39,116 -3.24,121 39.2,122 3,123 10,127 4,129 1,132 1,144 8,145 4,146 2,148 4,160 2,161 1,176 17,179 1,180 12,183 4,185 6,187 21,192 10,195 1,196 3,197 7,200 12,206 10,209 2,211 12,214 12,218 2,219 2,222 5,223 1,224 9,227 16,231 1,235 2,236 2,237 6,239 15,243 2,244 7,247 4,249 12,251 9,256 4,259 2,260 1,261 6,264 6,268 2,269 12,272 2,273 2,274 5,277 10,281 7627,282 34.413,283 34.413,284 34.413,285 34.413,286 34.413,287 31.398,288 39.341,289 20.628,290 34.894,291 27.738,292 27.738,293 27.738,294 27.738,295 27.738,296 22.839,297 44.488,298 9.841,299 28.485,300 5.194,301 3.19,302 2.052,303 1.483,304 1.248,305 1.189,306 4.663,313 1996,314 5.916,318 871.978,322 1000.22,325 2.825,326 54.567,329 0.5,330 0.33,331 0.5,332 0.8,333 1,334 0.33,336 0.5,337 109.5,338 907,339 4.64,340 3.816,341 6.829,342 4.207,343 3.226,344 4.564,345 2.189,346 11.348,347 3.162,348 4.64,349 3.666,350 6.829,351 4.207,352 3.226,353 4.564,354 1.952,355 11.348,356 3.162,357 4.168,358 3.569,359 6.448,360 4.073,361 3.135,362 3.437,363 1.907,364 10.16,365 2.929,366 3.957,367 3.361,368 6.043,369 3.787,370 2.8,371 3.437,372 0.412,373 8.664,374 2.755,375 3.914,376 3.361,377 5.982,378 3.524,379 2.532,380 3.243,381 0.4,382 8.37,383 2.512,384 3.914,385 3.167,386 5.982,387 3.524,388 2.532,389 3.086,390 0.4,391 8.37,392 2.512,393 3.643,394 2.669,395 5.382,396 3.358,397 2.353,398 2.894,399 0.193,400 6.712,401 2.351,402 3.522,403 2.669,404 5.381,405 3.135,406 2.182,407 2.892,408 0.149,409 6.711,410 2.076,411 3.52,412 2.358,413 5.03,414 3.126,415 2.171,416 2.811,418 6.073,419 2.07,420 3.431,421 2.356,422 4.893,423 3.066,424 2.088,425 2.55,427 5.64,428 2.01,429 2.939,430 2.145,431 4.157,432 2.602,433 1.644,434 2.142,436 3.871,437 1.568,438 2.939,439 1.826,440 4.116,441 2.529,442 1.551,443 2.142,445 3.46,446 1.516,447 2.728,448 1.821,449 4.116,450 2.507,451 1.518,452 1.738,454 3.353,455 1.498,456 2.65,457 1.561,458 3.948,459 2.435,460 1.459,461 1.684,463 3.329,464 1.417,465 2.599,466 1.561,467 3.926,468 2.345,469 1.347,470 1.61,472 3.329,473 1.343,474 24.133,475 0.473,476 1.271,477 0.025,478 58.25,479 1.142,480 25.5,481 0.5,482 32.75,483 0.642,484 62.418,485 1.224,486 56.867,487 0.558,488 52.013,489 1.02,490 10.616,491 0.208,492 14.043,493 0.275,494 0.104,495 0.021,496 0.29,501 0.782,502 1.358,503 0.883,504 1.154,505 0.582,506 1.043,507 0.625,508 1.233,509 0.887,510 1.111,511 0.48,512 1.042,513 1.194,514 1.041,515 1.022,516 0.957,517 0.978,518 0.965,519 1.223,520 1.05,521 1.005,522 0.945,523 1.222,524 0.936,525 1.418,526 1.011,527 1.262,528 1.017,529 1.574,530 1.101,531 0.855,532 1.122,533 1.079,534 1.163,535 0.844,536 1.155,537 0.812,538 1.05,539 0.954,540 1.051,541 0.81,542 1.024,543 1.421,544 0.795,545 0.985,546 0.78,547 1.59,548 0.814,549 9.5,550 0.326,551 5.333,552 3.75,553 3.04,554 1.319,555 1.05,556 0.635,557 0.707,558 0.439,559 59216,560 130069,561 2.089,562 50,563 12,564 17,567 5,568 6,569 11,572 1.857,573 1.968,574 4.02,575 1.948,582 150.765,583 1.478,584 3.483,585 4.62,586 5.189,587 5.425,588 5.483,589 3.36,590 5.055,591 5.65,592 4.348,593 5543.92,594 10.054,595 125251,600 680.587,601 1.437,602 5.606,603 0.17,604 0.005,605 0.068,606 0.046,607 0.038,608 0.017,609 0.015,610 0.01,611 0.012,612 0.007,613 0.387,614 0.17,615 0.5,616 0.919,617 314.963,618 -0.042,619 -0.08,620 0.047,622 -0.026,623 0.032,624 0.215,625 -0.083,626 0.071,627 -0.038,628 0.147,629 -0.009,630 -0.077,631 0.011,632 -0.019,633 0.034,634 -0.081,635 0.015,636 -0.099,637 -0.005,638 0.006,639 0.016,640 -0.073,641 0.026,642 -0.023,643 0.064,644 -0.229,645 -0.045,646 -0.037,647 -0.148,648 0.055,649 -0.115,650 -0.103,651 -0.152,652 0.062,653 -0.151,654 0.152,655 -0.105,656 0.041,657 -0.091,658 0.148,659 -0.047,660 -0.085,661 0.126,662 0.06,663 0.127,664 -0.096,665 0.118,666 2.367,667 6.389,668 0.549,669 74.338,670 0.995,671 1.132,672 2.174,673 4.728,674 0.643,675 4.043,676 4.369,677 4.615,678 4.913,679 5.165,680 5.242,681 5.375,682 5.464,683 5.545,684 5.425,685 11.287,686 0.604,687 693.98,688 4.043,689 5.595,690 6.438,691 7.323,692 8.187,693 9.079,694 9.953,695 10.848,696 11.729,697 12.626,698 6.9,703 2,705 3,708 2,714 4,715 8,716 2,720 6,722 22,734 2,741 102,743 25,744 2,745 56,747 107,748 40,749 18,750 4,751 8,756 6,757 12,763 3,767 8,770 11,772 21,773 19,774 1,777 3,782 3,786 3,793 51,794 11,795 5,796 11,802 7,808 0.333,809 4,822 2,829 6,833 4,843 2,856 1,859 2,864 3,868 51,876 14,877 5,878 1,880 1,882 1,893 3.9,896 3,898 1,901 25.917,902 18.817,903 11.125,904 6.679,907 4.428,908 1.483,909 0.976,910 12.32,911 13.598,912 4.263,913 4.836,914 5.389,915 5.997,916 6.586,917 6.908,918 7.286,919 7.625,920 7.93,921 7.761,922 1,923 82,924 19.105,926 8.212,927 0.026,929 7.662,931 37.025,933 31.051,936 2.162,937 110.25,941 541.471,942 179.058,943 123.625,945 86.435,948 179.058,949 627.905,950 123.625,951 26.476,952 87.8,953 75.81,954 154.437,955 37.832,956 6.763,957 541.471,959 541.471,960 302.683,961 86.435,964 411.989,965 215.917,968 124.078,969 109.012,970 69.593,972 541.471,973 210.059,974 179.058,977 541.471,978 76.772,979 102.286,980 90.054,981 120.006,982 541.471,983 210.059,984 179.058,986 0.578,987 0.324,988 0.186,989 0.104,990 35,991 16,992 0.14,993 15,994 4,995 1.286,996 5.875,997 539.641,998 0.286,999 28,1000 284.539,1005 36.842,1006 17.054,1007 9.692,1008 4.107,1009 210.059,1010 16.287,1011 9.811,1015 7.022,1017 90.054,1018 930.588,1019 70,1024 39.022,1028 -1.264,1031 101.461,1032 115.46,1034 0.222,1035 0.522,1036 0.692,1037 0.778,1038 0.813,1039 0.822,1040 5.519,1041 2.182,1042 6.431,1043 6.712,1044 5.056,1045 5.525,1046 3.127,1047 7.255,1048 5.004,1049 6.717,1050 2.171,1051 7.995,1052 6.711,1053 4.691,1054 5.434,1055 2.624,1056 8.289,1057 4.619,1058 8.031,1059 2.088,1060 9.666,1061 6.073,1062 6.681,1063 7.732,1064 4.245,1065 11.355,1066 6.572,1067 9.382,1068 1.644,1069 11.404,1070 5.64,1071 7.14,1072 8.485,1073 4.35,1074 13.208,1075 7.004,1076 10.768,1077 1.551,1078 13.184,1079 3.871,1080 8.611,1081 10.304,1082 5.55,1083 15.83,1084 8.445,1085 12.178,1086 1.518,1087 14.993,1088 3.46,1089 9.448,1090 11.457,1091 5.925,1092 18.004,1093 9.252,1094 13.609,1095 1.459,1096 16.821,1097 3.353,1098 10.718,1099 13.093,1100 6.929,1101 20.484,1102 10.494,1103 3.226,1104 1.347,1105 18.665,1106 3.329,1107 11.73,1108 14.44,1109 7.455,1110 22.792,1111 11.474,1112 3.226,1113 11.348,1114 20.519,1115 3.329,1116 12.923,1117 16.002,1118 8.355,1119 25.227,1120 12.64,1121 3.135,1122 11.348,1123 22.382,1124 4.564,1125 14.014,1126 17.442,1127 8.97,1128 27.594,1129 13.701,1130 2.8,1131 10.16,1132 24.252,1133 4.564,1134 15.18,1135 18.975,1136 9.812,1137 30.015,1138 14.841,1139 2.532,1140 8.664,1141 26.128,1142 3.437,1143 16.308,1144 20.457,1145 10.483,1146 32.409,1147 15.939,1148 2.532,1149 8.37,1150 28.009,1151 3.437,1152 17.466,1153 21.98,1154 11.293,1155 34.827,1156 17.072,1157 2.353,1158 8.37,1159 29.894,1160 3.243,1161 18.611,1162 23.481,1163 11.999,1164 37.235,1165 18.189,1166 54668,1167 81247,1168 37.561,1169 65.609,1170 83.485,1171 86.735,1172 84.675,1173 83.006,1174 83.008,1175 103.206,1176 15.205,1177 237.592,1178 80.975,1179 5.617,1180 5.816,1181 6.515,1182 5.278,1183 5.226,1184 7.564,1185 3.892,1186 18.879,1187 5.162,1188 25.222,1189 1.491,1190 1.549,1191 1.512,1192 1.482,1193 1.482,1194 1.843,1195 0.272,1196 4.243,1197 1.446,1198 4.139,1199 4.172,1200 4.096,1201 4.063,1202 7.438,1203 4.067,1204 4.088,1205 4.118,1206 4.052,1207 4.018,1208 7.428,1209 4.023,1210 3.844,1211 3.89,1212 3.762,1213 3.661,1214 7.425,1215 3.67,1216 3.733,1217 3.781,1218 3.618,1219 3.649,1220 4.991,1221 3.635,1222 3.732,1223 3.78,1224 3.617,1225 3.641,1226 4.954,1227 3.634,1228 3.714,1229 3.763,1230 3.599,1231 3.544,1232 4.57,1233 3.543,1234 3.649,1235 3.72,1236 3.538,1237 3.421,1238 4.415,1239 3.437,1240 3.534,1241 3.616,1242 3.384,1243 3.338,1244 4.413,1245 3.337,1246 0.083,1247 0.068,1248 0.122,1249 0.075,1250 0.058,1251 4.64,1252 0.081,1253 3.816,1254 0.039,1255 6.829,1256 0.203,1257 4.207,1258 0.056,1259 3.226,1260 4.564,1261 2.189,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.158,1267 2.163,1268 1.434,1269 2.163,1270 2.072,1271 2.046,1272 2.158,1273 2.163,1274 1.434,1275 2.163,1276 1.757,1277 1.711,1278 1.954,1279 1.977,1280 1.241,1281 1.965,1282 1.754,1283 1.709,1284 1.949,1285 1.891,1286 1.16,1287 1.905,1288 1.753,1289 1.708,1290 1.949,1291 1.873,1292 1.156,1293 1.902,1294 1.688,1295 1.636,1296 1.929,1297 1.872,1298 1.118,1299 1.901,1300 1.587,1301 1.516,1302 1.821,1303 1.842,1304 1.051,1305 1.839,1306 1.511,1307 1.433,1308 1.773,1309 1.743,1310 1.034,1311 1.758,1312 4.727,1314 6.052,1316 7.569,1318 9.185,1320 10.859,1322 5.294,1328 10.475,1329 15.731,1330 5.432,1332 -0.937,1334 -0.731,1340 61.599,1341 150.765,1342 355.218,1343 471.255,1344 529.303,1345 553.303,1346 559.303,1347 123.767,1348 9.17,1349 146.37,1350 146.37,1351 36,1352 13.153,1353 4.7,1354 3.907,1355 82.981,1356 339,1357 286,1358 0.108,1359 375.593,1360 660.64,1361 908.206,1362 197462,1364 35.796,1365 0.702,1366 0.591,1367 35.796,1368 30.123,1369 24.659,1370 0.44,1371 0.33,1372 18.289,1373 23.86,1374 17.822,1375 14.761,1376 24.659,1377 18.487,1378 22.727,1379 0.291,1380 0.186,1381 22.727,1382 14.505,1383 17.715,1384 0.177,1385 0.095,1386 17.715,1387 9.481,1388 15.518,1389 0.115,1390 0.053,1391 15.518,1392 7.117,1393 12.775,1394 0.073,1395 0.03,1396 12.775,1397 5.229,1398 0.176,1399 153.488,1400 0.163,1401 44.374,1402 0.278,1403 268,1404 703.897,1405 292.891,1406 679.742,1407 934.44,1408 638,1409 312,1410 692.548,1411 334.598,1412 697.058,1413 1021.84,1414 660,1415 7.812}
{0 CHEMBL504924,1 1.288,2 11.912,3 4.961,4 24.61,5 136.581,6 5.766,8 4.448,9 4.592,10 3.786,11 3.957,12 5.294,13 3.88,14 5.116,15 5.328,16 4.236,17 4.463,18 5.889,19 4.355,20 5.523,21 5.751,22 4.449,23 4.789,24 6.24,25 4.651,26 5.808,27 6.067,28 4.503,29 4.96,30 6.494,31 4.782,32 5.958,33 6.261,34 4.442,35 4.969,36 6.632,37 4.759,38 5.858,39 6.166,40 4.347,41 4.863,42 6.54,43 4.654,44 5.747,45 6.046,46 4.225,47 4.735,48 6.534,49 4.529,50 5.618,51 5.926,52 4.091,53 4.582,54 6.359,55 4.38,56 0.095,57 1.132,58 21.053,59 8.824,60 12.856,61 12.536,62 0.395,63 1.964,64 39.571,65 15.684,66 39.784,67 22.624,68 0.48,69 2.792,70 58.41,71 22.692,72 47.81,73 32.853,74 0.576,75 3.461,76 75.566,77 28.504,78 61.925,79 41.872,80 0.935,81 3.637,82 85.112,83 30.391,84 95.35,85 45.359,86 0.67,87 3.263,88 76.491,89 27.553,90 79.013,91 41.021,92 0.772,93 2.865,94 69.118,95 24.448,96 112.031,97 36.164,98 0.614,99 2.478,100 60.306,101 20.923,102 78.572,103 31.165,104 102,105 57,106 0.199,107 0.417,108 0.684,109 0.817,110 0.876,111 0.891,112 3.561,113 1.123,114 -5.72,115 -5.58,116 -5.2,121 35.4,122 6,123 8,124 5,125 2,126 1,129 3,137 1,138 1,160 2,176 22,179 1,180 4,183 1,185 4,187 33,192 5,195 1,197 6,200 35,206 7,211 7,214 31,218 1,219 8,222 1,224 6,227 25,232 10,237 4,239 24,243 1,244 10,249 4,251 17,256 9,261 5,264 17,269 5,274 4,277 13,281 1936,282 22.236,283 22.236,284 22.236,285 22.236,286 22.236,287 21.437,288 17.97,289 12.31,290 22.438,291 17.998,292 17.998,293 17.998,294 17.998,295 17.998,296 17.023,297 23.593,298 5.522,299 18.261,300 5.07,301 3.662,302 1.939,303 1.079,304 0.699,305 0.601,306 4.246,312 1,313 852,314 5.05,317 62.556,318 187.77,321 102.523,322 207.213,325 1.981,326 33.442,329 0.75,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.94,337 72,338 405,339 4.733,340 3.771,341 7.981,342 4.731,343 3.732,344 3.733,345 2.443,346 15.154,347 3.726,348 4.558,349 3.667,350 7.858,351 4.553,352 3.557,353 3.561,354 1.058,355 14.604,356 3.545,357 4.091,358 3.584,359 6.52,360 3.85,361 2.878,362 3.41,363 0.4,364 10.035,365 2.802,366 3.818,367 3.527,368 6.215,369 3.643,370 2.645,371 2.891,372 0.286,373 8.849,374 2.629,375 3.542,376 2.876,377 5.875,378 3.481,379 2.5,380 2.589,382 7.867,383 2.443,384 3.397,385 2.59,386 5.677,387 3.167,388 2.185,389 2.454,391 6.963,392 2.142,393 3.178,394 2.25,395 5.28,396 3.081,397 2.092,398 2.179,400 5.865,401 2.042,402 2.986,403 2.149,404 4.9,405 2.892,406 1.899,407 1.984,409 5.208,410 1.883,411 2.748,412 1.986,413 4.648,414 2.623,415 1.625,416 1.678,418 4.593,419 1.621,420 2.631,421 1.686,422 4.215,423 2.308,424 1.298,425 1.627,427 3.217,428 1.3,429 2.264,430 1.447,431 4.083,432 2.236,433 1.245,434 1.259,436 3.058,437 1.23,438 2.114,439 1.277,440 3.936,441 2.072,442 1.091,443 1.105,445 2.798,446 1.067,447 1.752,448 0.955,449 3.571,450 1.722,451 0.736,452 0.741,454 1.858,455 0.723,456 1.495,457 0.861,458 3.457,459 1.369,460 0.4,461 0.418,463 0.936,464 0.384,465 1.218,466 0.726,467 3.183,468 1.153,469 0.207,470 0.207,472 0.315,473 0.195,474 16.3,475 0.479,476 1.196,477 0.035,478 25,479 0.735,480 4.5,481 0.132,482 20.5,483 0.603,484 59.007,485 1.735,486 41.3,487 0.504,488 15.073,489 0.443,490 3.216,491 0.095,492 12.845,493 0.378,494 0.256,495 0.061,496 0.337,501 0.733,502 1.413,503 1.069,504 1.327,505 0.605,506 1.241,507 0.632,508 1.133,509 0.943,510 1.096,511 0.427,512 1.054,513 0.948,514 1.19,515 1.115,516 1.182,517 0.719,518 1.167,519 0.916,520 1.234,521 1.139,522 1.229,523 0.752,524 1.21,525 0.911,526 0.96,527 0.979,528 0.969,529 0.797,530 0.979,531 0.892,532 0.943,533 0.926,534 0.958,535 0.898,536 0.945,537 1.092,538 0.974,539 0.995,540 0.988,541 1.091,542 0.985,543 1.177,544 0.895,545 0.928,546 0.885,547 1.253,548 0.885,549 9.5,550 0.275,551 7.111,552 4.007,553 3.437,554 1.941,555 1.451,556 0.947,557 0.611,558 0.384,559 13918,560 25137,561 1.977,562 58.5,563 29,564 7,567 2,568 3,569 7,572 1.765,573 1.774,574 3.489,575 0.089,582 105.605,583 1.288,584 2.696,585 4.418,586 5.278,587 5.659,588 5.757,589 3.091,590 4.97,591 5.051,592 3.654,593 2049.65,594 8.892,595 29317.3,600 521.319,601 1.805,602 4.962,603 0.257,604 0.01,605 0.125,606 0.059,607 0.051,608 0.032,609 0.026,610 0.02,611 0.014,612 0.011,613 0.605,614 0.17,615 0.75,616 1.575,617 178.247,619 -0.012,620 0.053,621 0.017,622 -0.026,623 0.038,624 0.176,625 0.09,626 0.117,627 0.091,628 0.152,629 0.098,630 -0.034,631 -0.026,632 -0.065,633 -0.039,634 -0.007,635 -0.054,636 -0.055,637 -0.151,638 -0.13,639 -0.154,640 -0.033,641 -0.151,642 0.027,643 0.004,644 -0.008,645 -0.003,646 0.016,647 -0.008,648 -0.007,649 0.01,650 0.035,651 0.005,652 -0.003,653 0.024,654 0.011,655 -0.032,656 -0.011,657 -0.025,658 0.058,659 -0.021,660 -0.044,661 0.023,662 0.051,663 0.052,664 -0.038,665 0.06,666 1.894,667 5.687,668 0.5,669 38.173,670 0.982,671 1.136,672 4.488,673 20.142,674 0.608,675 3.638,676 4.06,677 4.419,678 4.736,679 5.024,680 5.263,681 5.509,682 5.749,683 5.903,684 6.026,685 6.773,686 0.552,687 472.79,688 3.638,689 5.242,690 6.146,691 7.089,692 8.022,693 8.976,694 9.921,695 10.881,696 11.833,697 12.797,698 2.4,700 1,705 1,741 82,743 3,745 37,747 85,748 29,752 3,756 4,757 10,763 6,764 2,766 2,767 10,768 5,770 11,772 4,773 25,774 5,777 3,782 2,784 1,786 3,793 48,794 5,795 2,796 5,802 2,808 0.25,809 3,828 1,829 3,832 1,833 2,843 1,846 1,849 1,850 1,853 1,859 1,864 7,868 34,876 8,877 2,878 1,880 8,882 2,893 3.7,896 2,898 1,901 19.167,902 16.25,903 7.417,904 5.611,907 0.195,908 1.023,909 0.893,910 7.501,911 8.705,912 3.714,913 4.174,914 4.522,915 4.812,916 5.088,917 5.338,918 5.602,919 5.849,920 6.009,921 6.142,922 1,923 68,924 12.814,926 5.591,927 0.026,929 7.52,931 25.785,933 23.334,936 2.02,937 68.667,941 541.471,942 106.182,943 36.022,945 61.29,948 106.182,949 602.76,950 36.022,951 61.348,952 38.287,953 27.487,954 62.186,955 14.185,957 541.471,959 541.471,960 142.203,961 61.29,964 459.073,965 143.687,968 109.249,969 23.478,970 9.476,972 541.471,973 97.311,974 106.182,977 541.471,978 35.358,979 70.824,980 36.022,981 61.29,982 541.471,983 97.311,984 106.182,986 0.601,987 0.371,988 0.193,989 0.107,990 29,991 15,992 0.071,993 6,994 3,995 1.353,996 4.041,997 346.921,998 0.353,999 17,1000 170.974,1005 26.049,1006 9.791,1007 4.386,1009 97.311,1017 36.022,1018 744.964,1019 40,1024 24.85,1026 1.844,1028 0.456,1031 80.508,1032 93.174,1034 0.203,1035 0.424,1036 0.695,1037 0.83,1038 0.89,1039 0.905,1040 5.081,1041 1.899,1042 6.229,1043 5.865,1044 4.745,1045 4.86,1046 2.61,1047 7.223,1048 4.72,1049 6.284,1050 1.625,1051 7.921,1052 5.208,1053 4.745,1054 4.89,1055 2.243,1056 8.745,1057 4.726,1058 7.639,1059 1.298,1060 9.733,1061 4.593,1062 6.578,1063 6.772,1064 3.895,1065 11.897,1066 6.539,1067 9.022,1068 1.245,1069 11.619,1070 3.217,1071 7.378,1072 7.571,1073 4.269,1074 14.225,1075 7.348,1076 10.442,1077 1.091,1078 13.554,1079 3.058,1080 8.799,1081 9.024,1082 5.498,1083 17.037,1084 8.758,1085 11.886,1086 0.736,1087 15.523,1088 2.798,1089 9.909,1090 10.12,1091 6.158,1092 19.622,1093 9.875,1094 13.35,1095 0.4,1096 17.516,1097 1.858,1098 11.222,1099 11.448,1100 7.211,1101 22.352,1102 11.184,1103 3.732,1104 0.207,1105 19.527,1106 0.936,1107 12.447,1108 12.657,1109 7.992,1110 25.017,1111 12.412,1112 3.557,1113 15.154,1114 21.551,1115 0.315,1116 13.738,1117 13.95,1118 8.964,1119 27.727,1120 13.702,1121 2.878,1122 14.604,1123 23.586,1124 3.733,1125 15.006,1126 15.204,1127 9.802,1128 30.417,1129 14.971,1130 2.645,1131 10.035,1132 25.629,1133 3.561,1134 16.297,1135 16.49,1136 10.734,1137 33.122,1138 16.261,1139 2.5,1140 8.849,1141 27.678,1142 3.41,1143 17.583,1144 17.764,1145 11.599,1146 35.822,1147 17.546,1148 2.185,1149 7.867,1150 29.731,1151 2.891,1152 18.877,1153 19.05,1154 12.512,1155 38.526,1156 18.84,1157 2.092,1158 6.963,1159 31.789,1160 2.589,1161 20.171,1162 20.333,1163 13.391,1164 41.229,1165 20.133,1166 13828,1167 18692,1168 23.175,1169 49.887,1170 56.881,1171 59.338,1172 62.364,1173 56.389,1174 56.457,1175 59.958,1176 8.374,1177 183.082,1178 55.736,1179 5.733,1180 5.771,1181 7.525,1182 5.753,1183 5.732,1184 6.075,1185 4.174,1186 24.002,1187 5.726,1188 23.279,1189 1.537,1190 1.604,1191 1.686,1192 1.524,1193 1.526,1194 1.62,1195 0.226,1196 4.948,1197 1.506,1198 4.127,1199 4.166,1200 4.031,1201 4.049,1202 7.434,1203 4.039,1204 3.915,1205 3.959,1206 3.819,1207 3.814,1208 7.428,1209 3.807,1210 3.757,1211 3.8,1212 3.67,1213 3.635,1214 4.578,1215 3.636,1216 3.622,1217 3.683,1218 3.503,1219 3.467,1220 4.452,1221 3.462,1222 3.514,1223 3.558,1224 3.391,1225 3.3,1226 4.379,1227 3.303,1228 3.454,1229 3.527,1230 3.282,1231 3.287,1232 4.288,1233 3.279,1234 3.399,1235 3.472,1236 3.217,1237 3.227,1238 4.125,1239 3.222,1240 3.273,1241 3.357,1242 3.079,1243 3.097,1244 3.965,1245 3.08,1246 0.128,1247 0.102,1248 0.216,1249 0.128,1250 0.101,1251 4.733,1252 0.101,1253 3.771,1254 0.066,1255 7.981,1256 0.41,1257 4.731,1258 0.101,1259 3.732,1260 3.733,1261 2.443,1262 15.154,1263 3.726,1264 2.056,1265 2.02,1266 2.213,1267 2.161,1268 1.701,1269 2.18,1270 1.837,1271 1.794,1272 2.022,1273 1.982,1274 1.449,1275 1.997,1276 1.738,1277 1.692,1278 1.943,1279 1.907,1280 1.323,1281 1.92,1282 1.686,1283 1.635,1284 1.904,1285 1.84,1286 1.099,1287 1.862,1288 1.468,1289 1.408,1290 1.758,1291 1.7,1292 1.038,1293 1.704,1294 1.451,1295 1.395,1296 1.719,1297 1.669,1298 0.985,1299 1.696,1300 1.406,1301 1.334,1302 1.7,1303 1.625,1304 0.888,1305 1.659,1306 1.335,1307 1.258,1308 1.646,1309 1.555,1310 0.762,1311 1.59,1312 4.317,1314 5.714,1315 2.398,1316 7.323,1317 4.844,1318 9.041,1319 7.066,1320 10.821,1322 14.815,1328 9.649,1329 6.783,1330 6.021,1332 3.632,1334 0.616,1340 45.304,1341 105.605,1342 221.066,1343 362.286,1344 432.816,1345 464.035,1346 472.035,1347 91.216,1348 8.51,1349 67.43,1350 67.43,1351 23,1352 13.279,1353 2,1354 2,1355 56.687,1356 137,1357 152,1358 0.21,1359 276.17,1360 501.27,1361 665.615,1362 55880,1364 24.836,1365 0.73,1366 0.664,1367 24.836,1368 22.578,1369 16.062,1370 0.434,1371 0.374,1372 13.745,1373 15.643,1374 13.124,1375 10.912,1376 16.062,1377 13.847,1378 15.371,1379 0.27,1380 0.22,1381 15.371,1382 12.537,1383 13.556,1384 0.165,1385 0.137,1386 13.556,1387 11.271,1388 11.164,1389 0.099,1390 0.082,1391 11.164,1392 9.294,1393 9.1,1394 0.06,1395 0.049,1396 9.1,1397 7.424,1398 0.321,1399 99.308,1400 0.208,1401 30.664,1402 0.603,1403 188,1404 379.872,1405 200.188,1406 363.547,1407 495.59,1408 340,1409 233,1410 361.735,1411 243.861,1412 366.826,1413 541.68,1414 345,1415 5.092}
{0 CHEMBL50608,1 1.285,2 6.941,3 3.217,4 10.347,5 69.444,6 7.596,7 0.895,8 3.468,9 3.585,10 3.07,11 3.142,12 4.625,13 3.105,14 3.903,15 4.039,16 3.396,17 3.505,18 5.004,19 3.447,20 4.146,21 4.341,22 3.432,23 3.584,24 5.195,25 3.504,26 4.116,27 4.337,28 3.265,29 3.458,30 5.171,31 3.36,32 4.008,33 4.242,34 3.061,35 3.335,36 5.013,37 3.221,38 3.86,39 4.099,40 2.816,41 3.183,42 4.818,43 3.041,44 3.713,45 3.977,46 2.501,47 2.973,48 4.592,49 2.796,50 3.433,51 3.73,52 1.887,53 2.577,54 4.169,55 2.339,56 0.031,57 0.384,58 5.351,59 2.366,60 6.522,61 3.131,62 0.032,63 0.589,64 8.613,65 3.956,66 6.838,67 5.329,68 0.075,69 0.778,70 12.426,71 5.1,72 13.586,73 6.973,74 0.117,75 0.776,76 12.665,77 4.915,78 18.92,79 6.753,80 0.096,81 0.686,82 11.632,83 4.456,84 17.316,85 6.125,86 0.068,87 0.568,88 10.091,89 4.151,90 14.621,91 5.768,92 0.052,93 0.476,94 9.102,95 3.86,96 12.651,97 5.444,98 0.039,99 0.35,100 7.267,101 3.104,102 9.777,103 4.438,104 2,105 26,106 0.242,107 0.471,108 0.598,109 0.788,110 0.851,111 0.851,112 2.91,113 0.877,114 -4.38,115 -4.31,116 -4.07,121 51.7,144 10,145 2,146 1,148 2,165 1,166 1,167 1,176 10,180 4,185 2,187 12,189 2,192 4,197 1,200 8,203 1,206 3,208 1,209 1,211 3,214 6,216 3,219 1,224 3,227 8,229 3,237 2,239 9,241 2,249 1,251 8,253 1,264 4,277 1,281 269,282 11.776,283 11.776,284 11.776,285 11.776,286 11.776,287 9.776,288 3.162,289 7.12,290 11.844,291 9.41,292 9.41,293 9.41,294 9.41,295 9.41,296 6.513,297 2.5,298 3.401,299 9.538,300 3.573,301 2.36,302 1.684,303 0.676,304 0.345,305 0.345,306 3.592,311 1,312 1,313 259,314 1.581,318 117.75,322 62.228,325 1.017,326 7.524,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 35,338 118,339 4.546,340 3.119,341 6.52,342 4.076,343 3.097,344 4.483,346 10.243,347 3.032,348 4.077,349 2.689,350 6.067,351 3.676,352 2.683,353 3.676,355 8.756,356 2.663,357 3.449,358 2.085,359 5.063,360 2.989,361 2.015,362 2.857,364 5.788,365 1.961,366 3.314,367 1.83,368 4.537,369 2.81,370 1.828,371 2.702,373 4.673,374 1.791,375 2.921,376 1.432,377 3.754,378 2.423,379 1.432,380 2.125,382 3.109,383 1.418,384 2.653,385 1.176,386 3.586,387 2.162,388 1.167,389 1.727,391 2.751,392 1.161,393 2.5,394 1,395 3.43,396 2,397 1,398 1.5,400 2.229,401 1,402 2.367,403 0.943,404 3.247,405 1.888,406 0.907,407 1.308,409 2.136,410 0.888,411 1.246,412 -0.078,413 2.696,414 0.792,415 -0.161,416 -0.218,418 -0.403,419 -0.153,420 0.951,421 -0.463,422 2.523,423 0.492,424 -0.492,425 -0.672,427 -1.262,428 -0.483,429 0.689,430 -0.724,431 2,432 0.237,433 -0.749,434 -1.062,436 -1.765,437 -0.737,438 0.54,439 -0.882,440 1.906,441 0.071,442 -0.912,443 -1.314,445 -2.161,446 -0.896,447 0.5,448 -1,449 1.555,451 -1,452 -1.5,454 -2.347,455 -1,456 0.092,457 -1.243,458 1.372,459 -0.319,460 -1.294,461 -1.81,463 -3.495,464 -1.261,465 -0.229,466 -1.587,467 1.21,468 -0.643,469 -1.624,470 -2.228,472 -4.789,473 -1.589,474 8.3,475 0.488,476 0.329,477 0.019,478 26.75,479 1.574,480 16.5,481 0.971,482 10.25,483 0.603,484 8.455,485 0.497,486 16.3,487 0.562,488 15.917,489 0.936,490 5.399,491 0.318,492 2.944,493 0.173,494 0.048,496 0.301,501 1.07,502 0.874,503 0.787,504 0.767,505 1.248,506 0.758,507 0.75,508 1.153,509 0.857,510 1.03,511 0.708,512 0.967,513 1.123,514 1.146,515 0.945,516 1.006,517 0.953,518 0.97,519 1.276,520 1.085,521 1.061,522 1.025,523 1.064,524 1.026,525 1.504,526 0.972,527 1.132,528 0.969,529 1.286,530 1.011,531 1.072,532 0.961,533 1.13,534 1.058,535 1.231,536 1.091,537 0.736,538 0.927,539 1.074,540 1.076,541 0.986,542 1.096,543 0.53,544 0.897,545 1.088,546 1.118,547 0.817,548 1.141,549 2.5,551 1.778,552 0.938,553 0.898,554 0.507,555 0.123,556 0.08,557 0.032,559 2359,560 5533,561 2.163,562 41.4,564 10,567 2,572 1.572,573 2.082,574 2.831,575 0.295,577 1,578 1,579 1,582 37.259,583 1.285,584 2.498,585 3.174,586 4.182,587 4.513,588 4.513,589 2.257,590 3.735,591 4.063,592 2.885,593 392.401,594 6.878,595 3438.88,596 1,597 1,599 1,600 140.881,601 1.166,602 4.043,603 0.132,605 0.068,606 0.036,607 0.043,608 0.03,609 0.009,610 0.009,611 0.008,613 0.335,614 0.83,615 1,616 0.481,617 68.973,618 -0.129,619 0.132,620 0.022,621 0.111,622 -0.282,623 0.085,624 0.041,625 -0.196,626 -0.024,627 -0.125,628 -0.001,629 -0.089,630 -0.021,631 -0.149,632 -0.016,633 -0.081,634 0.002,635 -0.055,636 0.039,637 -0.053,638 -0.088,639 -0.099,640 0.067,641 -0.103,642 -0.247,643 0.05,644 -0.148,645 -0.026,646 -0.131,647 -0.069,648 -0.154,649 -0.009,650 -0.148,651 -0.077,652 -0.133,653 -0.106,654 -0.032,655 -0.029,656 -0.059,657 -0.05,658 -0.05,659 -0.056,660 0.034,661 -0.04,662 -0.025,663 -0.046,664 -0.047,665 -0.041,666 0.894,667 2.054,668 0.941,669 9.363,670 0.987,671 1.106,672 3.148,673 9.912,674 0.718,675 2.996,676 3.296,677 3.584,678 3.85,679 4.094,680 4.078,681 4.174,682 4.19,683 4.205,684 3.97,685 4.169,686 0.679,687 220.29,688 2.996,689 4.511,690 5.361,691 6.232,692 7.101,693 7.98,694 8.854,695 9.736,696 10.614,697 11.497,698 6.9,702 1,708 1,714 2,715 10,716 1,720 3,722 17,733 1,741 29,743 17,744 2,745 19,747 31,748 15,749 15,750 3,751 9,756 3,757 4,772 15,790 1,793 12,794 2,795 2,796 2,802 2,808 0.667,822 1,829 3,833 1,859 2,868 17,869 1,901 8.167,902 5.117,903 3.75,904 1.649,907 3.378,908 1.526,909 1.056,910 2.355,911 9.801,912 3.35,913 4.007,914 4.67,915 5.31,916 5.933,917 6.219,918 6.692,919 7.097,920 7.502,921 7.582,922 0.8,923 26,924 6.231,926 2.626,927 0.026,929 7.578,931 12.021,933 9.868,936 2.078,937 35.333,938 0.003,941 117.711,942 108.179,943 49.683,948 108.179,949 117.711,950 49.683,953 127.66,954 16.786,955 13.416,957 117.711,959 117.711,960 157.861,964 117.711,968 4.901,969 136.175,970 16.786,972 117.711,973 49.683,974 108.179,977 117.711,978 13.416,979 94.762,981 49.683,982 117.711,983 49.683,984 108.179,986 0.573,987 0.34,988 0.193,989 0.107,990 14,991 5,992 0.032,993 1,994 1,995 1.125,996 2.991,997 122.332,998 0.125,999 16,1000 65.487,1005 10.003,1006 4.002,1007 1.792,1008 1.943,1009 49.683,1010 19.931,1011 4.626,1015 2.779,1017 32.897,1018 275.572,1019 27.5,1031 28.622,1032 32.073,1034 0.264,1035 0.514,1036 0.653,1037 0.861,1038 0.929,1039 0.929,1040 4.535,1041 0.907,1042 5.323,1043 2.229,1044 3.97,1045 4.691,1047 6.12,1048 3.94,1049 5.754,1050 -0.161,1051 6.866,1052 2.136,1053 3.434,1054 4.407,1056 6.986,1057 3.374,1058 7.059,1059 -0.492,1060 8.516,1061 -0.403,1062 5.533,1063 6.981,1065 10.113,1066 5.47,1067 8.406,1068 -0.749,1069 10.231,1070 -1.262,1071 5.861,1072 7.58,1074 11.832,1075 5.766,1076 9.788,1077 -0.912,1078 11.987,1079 -1.765,1080 7.401,1081 9.569,1083 14.445,1084 7.301,1085 11.195,1086 -1,1087 13.772,1088 -2.161,1089 8.145,1090 10.613,1092 16.5,1093 8.014,1094 12.623,1095 -1.294,1096 15.576,1097 -2.347,1098 9.439,1099 12.331,1101 18.929,1102 9.299,1103 3.097,1104 -1.624,1105 17.393,1106 -3.495,1107 10.382,1108 13.604,1110 21.125,1111 10.214,1112 2.683,1113 10.243,1114 19.22,1115 -4.789,1116 11.57,1117 15.197,1119 23.483,1120 11.388,1121 2.015,1122 8.756,1123 21.054,1124 4.483,1125 12.608,1126 16.585,1128 25.742,1129 12.399,1130 1.828,1131 5.788,1132 22.893,1133 3.676,1134 13.753,1135 18.121,1137 28.073,1138 13.526,1139 1.432,1140 4.673,1141 24.737,1142 2.857,1143 14.834,1144 19.565,1146 30.362,1147 14.582,1148 1.167,1149 3.109,1150 26.585,1151 2.702,1152 15.962,1153 21.077,1155 32.683,1156 15.691,1157 1,1158 2.751,1159 28.435,1160 2.125,1161 17.065,1162 22.548,1164 34.987,1165 16.769,1166 2281,1167 3566,1168 13.118,1169 20.818,1170 28.495,1171 28.211,1172 28.619,1173 28.301,1174 28.258,1175 40.756,1177 79.372,1178 27.83,1179 5.163,1180 5.119,1181 6.322,1182 5.118,1183 5.097,1184 7.483,1186 17.133,1187 5.032,1188 4.537,1189 1.5,1190 1.485,1191 1.506,1192 1.49,1193 1.487,1194 2.145,1196 4.177,1197 1.465,1198 4.092,1199 4.12,1200 4.056,1201 4.025,1202 5.162,1203 4.029,1204 3.852,1205 3.882,1206 3.783,1207 3.802,1208 4.821,1209 3.794,1210 3.439,1211 3.49,1212 3.347,1213 3.341,1214 4.699,1215 3.337,1216 3.084,1217 3.165,1218 2.993,1219 2.918,1220 4.303,1221 2.926,1222 2.854,1223 2.925,1224 2.702,1225 2.735,1226 3.737,1227 2.715,1228 2.82,1229 2.885,1230 2.687,1231 2.719,1232 3.674,1233 2.709,1234 2.68,1235 2.782,1236 2.49,1237 2.459,1238 3.566,1239 2.452,1240 2.502,1241 2.586,1242 2.313,1243 2.275,1244 3.29,1245 2.279,1246 0.239,1247 0.164,1248 0.343,1249 0.215,1250 0.163,1251 4.546,1252 0.236,1253 3.119,1255 6.52,1256 0.539,1257 4.076,1258 0.16,1259 3.097,1260 4.483,1262 10.243,1263 3.032,1264 2.054,1265 2.031,1266 2.126,1267 2.138,1268 1.232,1269 2.136,1270 1.864,1271 1.837,1272 1.987,1273 1.938,1274 1.058,1275 1.957,1276 1.434,1277 1.391,1278 1.597,1279 1.58,1280 0.631,1281 1.591,1282 1.037,1283 0.978,1284 1.243,1285 1.281,1286 0.263,1287 1.274,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.835,1295 0.782,1296 1.102,1297 1.02,1298 0.159,1299 1.055,1300 0.647,1301 0.551,1302 0.988,1303 0.922,1305 0.953,1306 0.519,1307 0.413,1308 0.858,1309 0.737,1311 0.783,1312 3.664,1314 4.963,1316 6.488,1318 8.112,1320 9.786,1326 6.054,1340 19.677,1341 37.259,1342 72.443,1343 92.053,1344 121.272,1345 130.881,1346 130.881,1347 16.705,1348 6.423,1349 38.91,1350 38.91,1351 18,1352 12.032,1353 4.17,1354 3.248,1355 23.652,1356 43,1357 38,1358 0.286,1359 122.645,1360 199.16,1361 291.013,1362 4401,1364 11.665,1365 0.686,1366 0.547,1367 11.665,1368 9.298,1369 8.343,1370 0.439,1371 0.292,1372 5.527,1373 8.247,1374 5.392,1375 4.502,1376 8.343,1377 5.551,1378 7.315,1379 0.281,1380 0.153,1381 7.315,1382 3.98,1383 6.295,1384 0.18,1385 0.081,1386 6.295,1387 2.818,1388 5.406,1389 0.118,1390 0.043,1391 5.406,1392 1.959,1393 4.478,1394 0.076,1395 0.023,1396 4.478,1397 1.342,1398 0.426,1399 50.757,1400 0.276,1401 16.838,1402 0.85,1403 90,1404 208.957,1405 93.081,1406 216.781,1407 309.29,1408 204,1409 106,1410 238.662,1411 109.331,1412 248.053,1413 361.37,1414 235,1415 4.94}
{0 CHEMBL507174,1 1.253,2 15.659,3 7.97,4 63.513,5 174.05,6 6.37,7 0.478,8 4.516,9 4.656,10 3.964,11 4.09,12 5.421,13 4.026,14 5.107,15 5.311,16 4.297,17 4.513,18 5.92,19 4.414,20 5.426,21 5.686,22 4.412,23 4.676,24 6.174,25 4.551,26 5.461,27 5.725,28 4.377,29 4.688,30 6.212,31 4.552,32 5.481,33 5.737,34 4.313,35 4.733,36 6.199,37 4.572,38 5.572,39 5.85,40 4.198,41 4.75,42 6.222,43 4.547,44 5.588,45 5.899,46 4.057,47 4.656,48 6.186,49 4.426,50 5.448,51 5.77,52 3.992,53 4.492,54 6.041,55 4.283,56 0.105,57 1.25,58 20.583,59 8.38,60 13.242,61 12.175,62 0.237,63 2.115,64 37.573,65 14.282,66 24.171,67 21.219,68 0.361,69 2.728,70 51.886,71 18.772,72 38.189,73 28.406,74 0.508,75 2.832,76 54.187,77 18.956,78 43.869,79 28.781,80 0.411,81 2.847,82 54.7,83 20.696,84 39.02,85 30.765,86 0.357,87 2.964,88 59.315,89 23.668,90 39.836,91 34.799,92 0.37,93 2.88,94 60.3,95 23.514,96 43.536,97 34.905,98 0.391,99 2.508,100 52.742,101 19.536,102 39.14,103 29.404,104 4,105 62,106 0.187,107 0.485,108 0.656,109 0.763,110 0.808,111 0.815,112 3.741,113 1.039,114 -5.7,115 -5.56,116 -5.19,121 41.9,123 11,127 5,136 1,137 1,144 8,145 4,146 2,148 4,176 18,180 11,185 6,187 18,192 10,197 5,200 12,206 4,209 3,211 8,214 19,222 1,224 4,227 26,232 4,237 2,239 23,244 5,249 4,251 12,255 1,256 6,261 1,264 6,268 1,269 6,273 1,277 12,281 3649,282 28.957,283 28.957,284 28.957,285 28.957,286 28.957,287 26.252,288 32.579,289 17.808,290 29.296,291 22.788,292 22.788,293 22.788,294 22.788,295 22.788,296 18.535,297 37.156,298 8.408,299 23.363,300 5.173,301 3.183,302 2.038,303 1.326,304 1.023,305 0.977,306 4.464,313 1443,314 4.359,318 620.881,322 711.227,325 2.384,326 19.067,329 0.5,330 0.5,331 0.67,332 0.7,333 0.5,334 0.67,335 0.5,336 0.58,337 84.5,338 642,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.916,346 11.348,347 3.162,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 4.564,354 0.4,355 11.348,356 3.162,357 3.914,358 2.857,359 5.982,360 3.524,361 2.532,362 3.437,363 0.4,364 8.37,365 2.512,366 3.914,367 2.668,368 5.982,369 3.524,370 2.532,371 3.437,372 0.172,373 8.37,374 2.512,375 3.533,376 2.668,377 5.382,378 3.418,379 2.494,380 2.893,382 6.937,383 2.305,384 3.522,385 2.355,386 5.381,387 3.134,388 2.18,389 2.893,391 6.711,392 2.077,393 3.498,394 2.352,395 5.329,396 3.126,397 2.174,398 2.52,400 6.709,401 2.069,402 2.939,403 1.813,404 4.116,405 2.655,406 1.675,407 2.142,409 3.592,410 1.641,411 2.939,412 1.768,413 4.116,414 2.535,415 1.56,416 2.142,418 3.467,419 1.521,420 2.74,421 1.597,422 3.966,423 2.508,424 1.517,425 1.751,427 3.329,428 1.502,429 2.691,430 1.547,431 3.95,432 2.462,433 1.478,434 1.695,436 3.329,437 1.451,438 2.61,439 1.468,440 3.701,441 2.345,442 1.347,443 1.6,445 3.21,446 1.343,447 2.564,448 1.44,449 3.639,450 2.345,451 1.347,452 1.559,454 3.076,455 1.343,456 2.493,457 1.405,458 3.594,459 2.242,460 1.247,461 1.488,463 2.902,464 1.24,465 2.486,466 1.35,467 3.594,468 2.242,469 1.247,470 1.484,472 2.902,473 1.24,474 20,475 0.488,476 0.616,477 0.015,478 47.75,479 1.165,480 22,481 0.537,482 25.75,483 0.628,484 45.797,485 1.117,486 44.2,487 0.514,488 34.585,489 0.844,490 8.472,491 0.207,492 11.842,493 0.289,494 0.025,496 0.27,501 1.009,502 1.297,503 0.956,504 1.105,505 0.913,506 1.04,507 1.236,508 1.23,509 1.044,510 1.091,511 0.883,512 1.06,513 1.217,514 1.089,515 0.919,516 0.937,517 0.918,518 0.912,519 1.476,520 0.97,521 1.064,522 0.933,523 1.137,524 0.963,525 1.297,526 1.036,527 1.176,528 1.085,529 1.23,530 1.116,531 0.915,532 1.085,533 1.132,534 1.156,535 1.036,536 1.158,537 0.794,538 1.008,539 0.98,540 1.033,541 0.886,542 1.022,543 0.925,544 0.878,545 0.864,546 0.858,547 0.803,548 0.857,549 4.5,550 0.223,551 3.778,552 2.5,553 2.32,554 0.764,555 0.478,556 0.292,557 0.341,558 0.296,559 34594,560 63393,561 2.192,562 52.3,563 12,564 21,567 2,568 4,569 4,570 2,572 1.801,573 2.139,574 3.825,575 0.016,582 107.798,583 1.253,584 3.244,585 4.388,586 5.101,587 5.403,588 5.45,589 3.077,590 4.656,591 5.34,592 4.139,593 3393.79,594 9.398,595 65501.3,600 552.659,601 0.993,602 5.325,603 0.098,604 0.004,605 0.061,606 0.037,607 0.036,608 0.013,609 0.01,610 0.007,611 0.008,612 0.006,613 0.28,614 0.33,615 0.5,616 0.523,617 238.464,618 0.042,619 -0.087,620 0.071,621 0.003,622 0.086,623 0.033,624 -0.042,625 -0.101,626 -0.022,627 -0.055,628 0.046,629 -0.04,630 0.023,631 -0.045,632 0.094,633 0.044,634 0.111,635 0.068,636 -0.028,637 0.097,638 -0.037,639 0.024,640 -0.027,641 -0.002,642 -0.16,643 0.008,644 -0.172,645 -0.09,646 -0.221,647 -0.125,648 -0.091,649 -0.117,650 -0.158,651 -0.153,652 -0.167,653 -0.159,654 0.022,655 -0.096,656 -0.014,657 -0.06,658 -0.033,659 -0.043,660 0.085,661 0.04,662 0.116,663 0.087,664 0.061,665 0.101,666 0.552,667 1.994,668 0.683,669 46.488,670 0.979,671 1.126,672 4.467,673 19.957,674 0.654,675 3.85,676 4.143,677 4.466,678 4.779,679 5.063,680 5.13,681 5.263,682 5.375,683 5.46,684 5.352,685 9.93,686 0.6,687 547.86,688 3.85,689 5.38,690 6.24,691 7.119,692 8.001,693 8.891,694 9.782,695 10.678,696 11.574,697 12.473,698 5.8,701 1,703 2,708 2,714 4,715 8,716 2,720 6,722 22,734 2,741 86,743 23,744 2,745 46,747 91,748 36,749 18,750 4,751 8,756 6,757 12,767 8,770 11,772 20,773 16,777 1,778 1,784 1,793 45,794 5,795 2,796 5,802 5,808 0.333,822 2,829 6,833 4,848 1,849 1,855 1,859 2,868 41,876 16,877 2,881 1,901 19.167,902 15.1,903 9.222,904 5.958,907 4.584,908 1.51,909 1.015,910 9.372,911 13.571,912 4.078,913 4.654,914 5.293,915 5.933,916 6.549,917 6.879,918 7.259,919 7.604,920 7.906,921 7.733,922 0.9,923 68,924 15.252,926 6.416,927 0.026,929 7.321,931 30.878,933 26.373,936 1.821,937 74.667,941 506.157,942 166.294,943 72.717,948 166.294,949 506.157,950 72.717,952 54.175,953 85.286,954 69.593,955 29.957,957 506.157,959 506.157,960 239.011,964 435.531,965 70.627,968 51.334,969 108.607,970 79.069,972 506.157,973 72.717,974 166.294,977 506.157,978 65.241,979 88.411,980 36.022,981 49.338,982 506.157,983 72.717,984 166.294,986 0.561,987 0.337,988 0.203,989 0.116,990 29,991 11,992 0.143,993 13,994 4,995 1.286,996 5.262,997 406.78,998 0.286,999 28,1000 217.66,1005 28.036,1006 13.706,1007 6.538,1008 4.795,1009 72.717,1010 17.238,1011 9.985,1015 8.193,1017 36.022,1018 745.168,1019 58,1020 4.03,1026 2.049,1031 84.181,1032 96.796,1034 0.195,1035 0.505,1036 0.683,1037 0.794,1038 0.841,1039 0.848,1040 5.306,1041 1.675,1042 6.188,1043 6.709,1044 4.828,1045 5.342,1046 1.145,1047 7.002,1048 4.779,1049 6.476,1050 1.56,1051 7.734,1052 3.592,1053 4.205,1054 5.13,1055 0.325,1056 7.921,1057 4.123,1058 7.773,1059 1.517,1060 9.392,1061 3.467,1062 6.399,1063 7.586,1064 0.722,1065 11.094,1066 6.3,1067 9.116,1068 1.478,1069 11.122,1070 3.329,1071 6.711,1072 8.321,1073 0.393,1074 12.918,1075 6.587,1076 10.502,1077 1.347,1078 12.899,1079 3.329,1080 8.285,1081 10.209,1082 0.542,1083 15.59,1084 8.146,1085 11.921,1086 1.347,1087 14.709,1088 3.21,1089 9.054,1090 11.374,1091 0.384,1092 17.767,1093 8.895,1094 13.363,1095 1.247,1096 16.542,1097 3.076,1098 10.373,1099 13.04,1100 0.439,1101 20.278,1102 10.197,1103 3.226,1104 1.247,1105 18.392,1106 2.902,1107 11.36,1108 14.399,1109 0.351,1110 22.6,1111 11.166,1112 3.226,1113 11.348,1114 20.253,1115 2.902,1116 12.577,1117 15.975,1118 0.366,1119 25.057,1120 12.366,1121 2.532,1122 11.348,1123 22.125,1124 4.564,1125 13.664,1126 17.422,1127 0.312,1128 27.44,1129 13.434,1130 2.532,1131 8.37,1132 24.004,1133 4.564,1134 14.845,1135 18.962,1136 0.309,1137 29.878,1138 14.597,1139 2.494,1140 8.37,1141 25.89,1142 3.437,1143 15.977,1144 20.447,1145 0.273,1146 32.286,1147 15.71,1148 2.18,1149 6.937,1150 27.781,1151 3.437,1152 17.147,1153 21.973,1154 0.262,1155 34.718,1156 16.861,1157 2.174,1158 6.711,1159 29.676,1160 2.893,1161 18.299,1162 23.476,1163 0.236,1164 37.137,1165 17.993,1166 31324,1167 42563,1168 32.186,1169 56.256,1170 67.387,1171 67.796,1172 69.008,1173 67.298,1174 67.285,1175 85.084,1176 3.778,1177 187.887,1178 65.648,1179 5.608,1180 5.361,1181 6.621,1182 5.247,1183 5.226,1184 7.564,1185 1.605,1186 18.879,1187 5.162,1188 9.161,1189 1.465,1190 1.474,1191 1.5,1192 1.463,1193 1.463,1194 1.85,1195 0.082,1196 4.084,1197 1.427,1198 4.137,1199 4.17,1200 4.094,1201 4.062,1202 4.991,1203 4.066,1204 4.088,1205 4.118,1206 4.052,1207 4.018,1208 4.954,1209 4.023,1210 3.806,1211 3.877,1212 3.676,1213 3.658,1214 4.717,1215 3.648,1216 3.732,1217 3.781,1218 3.617,1219 3.649,1220 4.415,1221 3.635,1222 3.732,1223 3.78,1224 3.616,1225 3.633,1226 4.411,1227 3.626,1228 3.609,1229 3.686,1230 3.447,1231 3.453,1232 4.287,1233 3.441,1234 3.519,1235 3.593,1236 3.364,1237 3.374,1238 4.23,1239 3.36,1240 3.332,1241 3.407,1242 3.189,1243 3.185,1244 4.082,1245 3.178,1246 0.101,1247 0.073,1248 0.148,1249 0.091,1250 0.07,1251 4.64,1252 0.099,1253 3.361,1254 0.02,1255 6.829,1256 0.247,1257 4.207,1258 0.069,1259 3.226,1260 4.564,1261 0.916,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.436,1269 2.164,1270 2.072,1271 2.046,1272 2.158,1273 2.162,1274 1.435,1275 2.163,1276 1.775,1277 1.711,1278 2.001,1279 1.972,1280 1.33,1281 1.986,1282 1.754,1283 1.709,1284 1.95,1285 1.873,1286 1.209,1287 1.902,1288 1.754,1289 1.704,1290 1.948,1291 1.872,1292 1.146,1293 1.902,1294 1.615,1295 1.545,1296 1.876,1297 1.81,1298 1.131,1299 1.837,1300 1.528,1301 1.461,1302 1.786,1303 1.715,1304 0.928,1305 1.741,1306 1.323,1307 1.258,1308 1.573,1309 1.533,1310 0.765,1311 1.554,1312 4.533,1314 5.832,1316 7.351,1318 8.983,1320 10.68,1328 18.145,1329 7.677,1333 2.554,1340 51.643,1341 107.798,1342 278.954,1343 377.356,1344 438.659,1345 464.659,1346 468.659,1347 59.959,1348 8.988,1349 53.08,1350 53.08,1351 36,1352 12.997,1353 4.585,1354 3.7,1355 59.82,1356 251,1357 172,1358 0.11,1359 313.504,1360 539.56,1361 756.711,1362 155440,1364 27.857,1365 0.679,1366 0.599,1367 27.857,1368 24.559,1369 20.314,1370 0.442,1371 0.346,1372 15.834,1373 19.949,1374 15.51,1375 12.842,1376 20.314,1377 15.936,1378 17.21,1379 0.278,1380 0.19,1381 17.21,1382 11.776,1383 15.029,1384 0.175,1385 0.103,1386 15.029,1387 8.882,1388 13.284,1389 0.113,1390 0.058,1391 13.284,1392 6.816,1393 11.471,1394 0.073,1395 0.033,1396 11.471,1397 5.185,1398 0.181,1399 124.221,1400 0.176,1401 37.427,1402 0.281,1403 216,1404 431.601,1405 225.631,1406 435.747,1407 629.91,1408 416,1409 256,1410 487.127,1411 267.157,1412 498.523,1413 739.2,1414 476,1415 10.072}
{0 CHEMBL507304,1 1.415,2 25.276,3 8.632,4 74.511,5 230.618,6 6.785,7 0.381,8 4.814,9 4.936,10 4.298,11 4.347,12 5.832,13 4.305,14 5.397,15 5.591,16 4.637,17 4.748,18 6.348,19 4.681,20 5.657,21 5.879,22 4.771,23 4.92,24 6.612,25 4.834,26 5.795,27 6.025,28 4.738,29 4.966,30 6.838,31 4.854,32 5.824,33 6.077,34 4.657,35 4.982,36 6.703,37 4.843,38 5.841,39 6.099,40 4.638,41 4.98,42 6.704,43 4.836,44 5.813,45 6.065,46 4.584,47 4.943,48 6.714,49 4.795,50 5.771,51 6.037,52 4.507,53 4.861,54 6.652,55 4.705,56 0.053,57 1.601,58 26.081,59 11.403,60 13.895,61 15.458,62 0.6,63 2.656,64 49.86,65 18.457,66 43.563,67 26.056,68 0.419,69 3.263,70 65.145,71 24.681,72 56.875,73 34.732,74 1.069,75 3.575,76 76.867,77 27.362,78 169.524,79 38.459,80 0.719,81 3.663,82 78.647,83 29.058,84 109.029,85 41.335,86 0.784,87 3.683,88 80.409,89 29.403,90 110.473,91 41.839,92 0.842,93 3.553,94 78.36,95 28.833,96 118.408,97 40.477,98 0.678,99 3.352,100 75.303,101 27.665,102 113.023,103 39.377,104 81,105 86,106 0.199,107 0.439,108 0.62,109 0.72,110 0.749,111 0.763,112 4.079,113 0.998,114 -6.17,115 -6.01,116 -5.59,121 41.4,122 2,123 8,126 2,127 8,144 14,145 8,146 2,160 4,176 27,179 4,180 20,187 28,192 22,200 20,205 4,206 26,214 20,219 18,227 24,232 18,239 30,243 2,244 18,251 29,256 10,264 22,268 8,269 12,277 20,281 11196,282 39.913,283 39.913,284 39.913,285 39.913,286 39.913,287 36.756,288 42.459,289 23.707,290 40.668,291 30.798,292 30.798,293 30.798,294 30.798,295 30.798,296 25.637,297 47.623,298 10.886,299 31.673,300 5.443,301 3.74,302 2.46,303 1.75,304 1.543,305 1.44,306 4.784,313 3134,314 5.657,317 330.861,318 876.777,321 593.613,325 4.768,326 61.9,329 0.5,330 0.17,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.63,337 124,338 1466,339 4.636,340 3.955,341 6.978,342 4.326,343 3.334,344 4.273,345 1.349,346 11.755,347 3.302,348 4.585,349 3.952,350 6.967,351 4.291,352 3.301,353 4.146,354 1.349,355 11.711,356 3.262,357 4.206,358 3.258,359 6.163,360 3.84,361 2.875,362 3.805,363 0.916,364 9.121,365 2.773,366 4.206,367 3.256,368 6.159,369 3.84,370 2.875,371 3.805,372 0.916,373 9.118,374 2.773,375 4.098,376 3.188,377 6.159,378 3.773,379 2.78,380 3.531,381 0.86,382 9.118,383 2.758,384 3.54,385 3.188,386 5.701,387 3.304,388 2.38,389 2.812,390 0.86,391 7.351,392 2.201,393 3.448,394 2.879,395 5.622,396 3.304,397 2.38,398 2.664,399 0.8,400 7.017,401 2.198,402 3.441,403 2.729,404 5.498,405 3.209,406 2.244,407 2.65,408 0.8,409 6.713,410 2.157,411 3.43,412 2.729,413 5.476,414 3.091,415 2.097,416 2.468,417 0.172,418 6.713,419 2.099,420 3.43,421 2.434,422 5.284,423 3.066,424 2.026,425 2.467,426 0.172,427 6.469,428 2.093,429 3.291,430 2.198,431 5.284,432 3.007,433 1.994,434 2.445,436 6.375,437 1.985,438 2.917,439 1.985,440 4.373,441 2.74,442 1.745,443 2.088,445 4.058,446 1.734,447 2.917,448 1.966,449 4.316,450 2.704,451 1.713,452 2.088,454 4.041,455 1.695,456 2.876,457 1.943,458 4.316,459 2.491,460 1.542,461 1.973,463 4.025,464 1.457,465 2.854,466 1.919,467 3.838,468 2.486,469 1.537,470 1.957,472 3.518,473 1.449,474 27.6,475 0.476,476 1.161,477 0.02,478 67.5,479 1.164,480 31,481 0.534,482 36.5,483 0.629,484 68.356,485 1.179,486 64.2,487 0.553,488 64.005,489 1.104,490 12.969,491 0.224,492 15.3,493 0.264,494 0.121,496 0.312,501 0.69,502 1.415,503 0.863,504 1.212,505 0.523,506 1.082,507 0.903,508 1.023,509 0.943,510 0.936,511 0.573,512 0.933,513 0.857,514 1.088,515 0.869,516 1.037,517 0.735,518 0.959,519 1.119,520 1.049,521 1.065,522 1.029,523 1.077,524 1.037,525 0.945,526 1.01,527 1.008,528 1.012,529 1.038,530 1.016,531 0.988,532 0.963,533 1.013,534 0.98,535 0.895,536 0.995,537 1.078,538 0.98,539 1.085,540 1.037,541 1.073,542 1.061,543 0.948,544 1.06,545 0.977,546 1.041,547 1.157,548 1.023,549 9,550 0.514,551 6.667,552 5.347,553 2.871,554 2.063,555 1.418,556 0.774,557 0.585,558 0.562,559 92153,560 209085,561 2.061,562 50,563 8,564 36,569 14,572 1.879,573 1.933,574 4.546,575 -0.824,582 164.175,583 1.415,584 3.118,585 4.398,586 5.108,587 5.315,588 5.418,589 3.978,590 4.789,591 5.822,592 4.831,593 7984.88,594 10.37,595 211127,600 795.526,601 1.391,602 5.79,603 0.143,604 0.007,605 0.078,606 0.056,607 0.033,608 0.025,609 0.018,610 0.01,611 0.009,612 0.008,613 0.386,614 0.17,615 0.38,616 0.761,617 378.674,618 0.013,619 -0.195,620 0.063,621 -0.076,622 0.004,623 -0.014,624 0.035,625 0.121,626 0.036,627 0.088,628 0.038,629 0.067,630 0.013,631 -0.03,632 0.103,633 -0.015,634 0.077,635 0.05,636 0.017,637 -0.031,638 -0.059,639 -0.039,640 0.094,641 -0.056,642 -0.062,643 -0.017,644 -0.029,645 -0.017,646 -0.062,647 -0.017,648 -0.074,649 0.02,650 -0.029,651 0.007,652 -0.035,653 -0.001,654 -0.082,655 -0.003,656 -0.094,657 -0.047,658 -0.059,659 -0.069,660 -0.028,661 -0.114,662 0.008,663 -0.054,664 -0.064,665 -0.026,666 1.951,667 6.478,668 0.517,669 143.969,670 0.993,671 1.125,672 4.937,673 24.376,674 0.649,675 4.159,676 4.466,677 4.779,678 5.03,679 5.231,680 5.303,681 5.447,682 5.58,683 5.694,684 5.849,685 14.727,686 0.609,687 787.1,688 4.159,689 5.7,690 6.561,691 7.438,692 8.318,693 9.205,694 10.094,695 10.989,696 11.886,697 12.786,698 3.4,701 2,705 2,715 14,720 10,722 24,739 2,741 116,743 28,744 4,745 63,747 121,748 48,749 24,750 10,751 14,752 4,756 6,757 8,763 2,770 8,772 28,773 20,777 4,782 4,786 4,793 58,794 10,796 10,802 4,805 2,808 0.667,809 6,828 2,829 4,832 2,855 2,859 4,864 4,868 58,876 16,878 2,881 4,893 5.2,896 4,898 2,901 30,902 21.967,903 13.278,904 7.785,907 4.109,908 1.413,909 0.965,910 15.444,911 14.069,912 4.382,913 4.905,914 5.481,915 6.005,916 6.508,917 6.733,918 7.145,919 7.488,920 7.882,921 8.253,922 0.941,923 96,924 21.722,926 9.229,927 0.026,929 7.678,931 42.046,933 34.624,936 2.178,937 126.333,941 682.724,942 263.996,943 12.497,945 122.579,948 263.996,949 805.303,950 12.497,951 39.417,952 43.371,953 132.667,954 119.398,955 64.22,957 682.724,959 682.724,960 276.493,961 122.579,964 517.928,965 287.375,968 67.27,969 209.224,972 682.724,973 135.077,974 263.996,977 682.724,978 91.912,979 184.581,981 122.579,982 682.724,983 135.077,984 263.996,986 0.569,987 0.352,988 0.192,989 0.101,990 36,991 18,992 0.19,993 23,994 2,995 1.133,996 6.549,997 618.155,998 0.133,999 30,1000 281.763,1005 42.943,1006 20.859,1007 10.334,1009 135.077,1010 26.756,1015 7.184,1018 1081.8,1019 79,1024 53.495,1028 -1.093,1031 115.228,1032 130.46,1034 0.206,1035 0.455,1036 0.641,1037 0.745,1038 0.775,1039 0.79,1040 5.628,1041 2.244,1042 6.535,1043 7.017,1044 5.153,1045 5.595,1046 2.807,1047 7.363,1048 5.107,1049 6.801,1050 2.097,1051 8.107,1052 6.713,1053 4.691,1054 5.338,1055 0.931,1056 8.323,1057 4.625,1058 8.097,1059 2.026,1060 9.784,1061 6.713,1062 6.758,1063 7.706,1064 2.908,1065 11.459,1066 6.67,1067 9.433,1068 1.994,1069 11.526,1070 6.469,1071 7.186,1072 8.321,1073 1.616,1074 13.288,1075 7.082,1076 10.808,1077 1.745,1078 13.309,1079 6.375,1080 8.68,1081 10.155,1082 3.179,1083 15.949,1084 8.56,1085 12.21,1086 1.713,1087 15.121,1088 4.058,1089 9.521,1090 11.172,1091 2.308,1092 18.138,1093 9.39,1094 13.635,1095 1.542,1096 16.953,1097 4.041,1098 10.801,1099 12.787,1100 3.569,1101 20.65,1102 10.659,1103 3.334,1104 1.537,1105 18.802,1106 4.025,1107 11.83,1108 13.999,1109 3.001,1110 22.993,1111 11.681,1112 3.301,1113 11.755,1114 20.663,1115 3.518,1116 13.036,1117 15.514,1118 4.033,1119 25.459,1120 12.877,1121 2.875,1122 11.711,1123 22.536,1124 4.273,1125 14.149,1126 16.825,1127 3.682,1128 27.867,1129 13.983,1130 2.875,1131 9.121,1132 24.417,1133 4.146,1134 15.332,1135 18.293,1136 4.543,1137 30.323,1138 15.158,1139 2.78,1140 9.118,1141 26.306,1142 3.805,1143 16.483,1144 19.655,1145 4.347,1146 32.759,1147 16.302,1148 2.38,1149 9.118,1150 28.202,1151 3.805,1152 17.662,1153 21.101,1154 5.081,1155 35.214,1156 17.474,1157 2.38,1158 7.351,1159 30.103,1160 3.531,1161 18.832,1162 22.492,1163 4.997,1164 37.663,1165 18.637,1166 87033,1167 131494,1168 41.956,1169 75.308,1170 92.67,1171 97.029,1172 96.855,1173 91.964,1174 92.041,1175 113.836,1176 16.391,1177 262.724,1178 89.954,1179 5.615,1180 5.955,1181 6.802,1182 5.353,1183 5.334,1184 7.273,1185 2.549,1186 19.01,1187 5.302,1188 32.78,1189 1.471,1190 1.54,1191 1.537,1192 1.46,1193 1.461,1194 1.807,1195 0.26,1196 4.17,1197 1.428,1198 4.11,1199 4.13,1200 4.074,1201 4.036,1202 7.451,1203 4.041,1204 3.959,1205 3.992,1206 3.925,1207 3.875,1208 7.443,1209 3.874,1210 3.952,1211 3.973,1212 3.892,1213 3.845,1214 7.408,1215 3.857,1216 3.924,1217 3.954,1218 3.861,1219 3.841,1220 7.408,1221 3.844,1222 3.768,1223 3.826,1224 3.633,1225 3.643,1226 4.881,1227 3.63,1228 3.741,1229 3.802,1230 3.595,1231 3.611,1232 4.847,1233 3.596,1234 3.626,1235 3.692,1236 3.525,1237 3.444,1238 4.764,1239 3.453,1240 3.585,1241 3.659,1242 3.433,1243 3.413,1244 4.502,1245 3.408,1246 0.074,1247 0.063,1248 0.111,1249 0.069,1250 0.053,1251 4.636,1252 0.068,1253 3.955,1254 0.021,1255 6.978,1256 0.187,1257 4.326,1258 0.052,1259 3.334,1260 4.273,1261 1.349,1262 11.755,1263 3.302,1264 1.991,1265 1.977,1266 2.062,1267 2.042,1268 1.382,1269 2.049,1270 1.913,1271 1.887,1272 2.051,1273 2.032,1274 1.382,1275 2.039,1276 1.913,1277 1.887,1278 2.051,1279 2.032,1280 1.218,1281 2.039,1282 1.774,1283 1.756,1284 1.997,1285 1.939,1286 1.215,1287 1.96,1288 1.773,1289 1.712,1290 1.997,1291 1.939,1292 1.215,1293 1.96,1294 1.768,1295 1.712,1296 1.859,1297 1.84,1298 1.074,1299 1.842,1300 1.606,1301 1.535,1302 1.858,1303 1.826,1304 1.074,1305 1.836,1306 1.605,1307 1.534,1308 1.848,1309 1.825,1310 0.988,1311 1.835,1312 4.844,1314 6.155,1315 3.045,1316 7.664,1317 5.638,1318 9.267,1319 7.888,1320 10.922,1322 7.736,1328 13.691,1330 11.038,1333 7.527,1340 70.598,1341 164.175,1342 361.685,1343 510.184,1344 592.506,1345 616.506,1346 628.506,1347 165.103,1348 9.96,1349 103.08,1350 103.08,1351 34,1352 13.309,1353 4.858,1354 4.087,1355 102.236,1356 509,1357 475,1358 0.093,1359 431.159,1360 775.7,1361 1043.79,1362 487884,1364 41.02,1365 0.707,1366 0.597,1367 41.02,1368 34.635,1369 28.269,1370 0.449,1371 0.333,1372 20.714,1373 27.3,1374 20.147,1375 16.789,1376 28.269,1377 20.968,1378 23.995,1379 0.279,1380 0.177,1381 23.995,1382 15.234,1383 21.469,1384 0.182,1385 0.098,1386 21.469,1387 11.554,1388 17.607,1389 0.116,1390 0.053,1391 17.607,1392 8.111,1393 13.861,1394 0.075,1395 0.03,1396 13.861,1397 5.598,1398 0.156,1399 176.454,1400 0.154,1401 50.144,1402 0.231,1403 298,1404 818.994,1405 322.273,1406 782.231,1407 1066.12,1408 734,1409 353,1410 770.904,1411 379.606,1412 784.111,1413 1156.6,1414 736,1415 7.854}
{0 CHEMBL507438,1 1.233,2 14.683,3 9.156,4 83.836,5 172.181,6 6.677,7 0.596,8 4.469,9 4.598,10 3.965,11 4.093,12 5.401,13 4.034,14 5.048,15 5.233,16 4.33,17 4.529,18 5.906,19 4.439,20 5.356,21 5.592,22 4.437,23 4.689,24 6.165,25 4.573,26 5.391,27 5.636,28 4.392,29 4.679,30 6.186,31 4.552,32 5.391,33 5.622,34 4.317,35 4.706,36 6.159,37 4.56,38 5.5,39 5.768,40 4.22,41 4.727,42 6.179,43 4.537,44 5.501,45 5.804,46 4.134,47 4.656,48 6.146,49 4.458,50 5.319,51 5.604,52 4.17,53 4.568,54 6.02,55 4.404,56 0.09,57 1.13,58 18.398,59 7.899,60 11.813,61 11.156,62 0.18,63 1.955,64 33.837,65 14.049,66 22.056,67 20.088,68 0.297,69 2.603,70 47.406,71 18.49,72 37.674,73 26.902,74 0.402,75 2.712,76 49.606,77 18.625,78 42.895,79 27.247,80 0.345,81 2.692,82 49.133,83 18.968,84 36.628,85 27.572,86 0.304,87 2.841,88 55.135,89 22.967,90 37.665,91 33.09,92 0.348,93 2.784,94 56.173,95 22.732,96 42.28,97 33.018,98 0.265,99 2.331,100 46.151,101 19.653,102 36.591,103 28.215,104 2,105 66,106 0.185,107 0.478,108 0.64,109 0.734,110 0.762,111 0.762,112 3.741,113 0.996,114 -6.52,115 -6.35,116 -5.89,121 45.7,122 1,123 10,127 2,144 11,145 7,146 2,148 4,176 25,180 8,185 6,187 30,192 8,197 6,200 21,206 4,209 2,211 12,214 22,224 8,227 24,232 2,237 6,239 32,244 2,251 32,256 4,260 1,264 40,269 4,277 36,281 3364,282 28.723,283 28.723,284 28.723,285 28.723,286 28.723,287 25.399,288 29.603,289 17.196,290 28.946,291 23.322,292 23.322,293 23.322,294 23.322,295 23.322,296 18.092,297 31.682,298 8.213,299 23.701,300 5.107,301 3.156,302 2.081,303 1.451,304 1.269,305 1.269,306 4.473,313 1375,314 3.536,318 689.453,322 648.674,325 2.353,326 18.594,329 0.5,330 0.5,331 0.67,332 0.6,333 0.5,334 0.67,335 1,336 0.63,337 84,338 602,339 4.64,340 3.361,341 6.829,342 4.207,343 3.227,344 4.564,345 0.4,346 11.348,347 3.162,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 4.564,354 0.4,355 11.348,356 3.162,357 4.182,358 2.989,359 5.982,360 3.799,361 2.8,362 3.826,364 8.37,365 2.798,366 3.914,367 2.67,368 5.982,369 3.524,370 2.532,371 3.437,373 8.37,374 2.512,375 3.914,376 2.668,377 5.737,378 3.524,379 2.532,380 3.437,382 8.166,383 2.512,384 3.528,385 2.459,386 5.382,387 3.181,388 2.214,389 2.894,391 6.716,392 2.15,393 3.521,394 2.358,395 5.381,396 3.13,397 2.176,398 2.892,400 6.71,401 2.076,402 3.376,403 2.294,404 5.016,405 3.055,406 2.072,407 2.625,409 6.041,410 2.027,411 3.282,412 2.22,413 4.738,414 2.953,415 1.956,416 2.531,418 5.277,419 1.95,420 2.938,421 1.677,422 4.116,423 2.517,424 1.531,425 2.142,427 3.39,428 1.509,429 2.938,430 1.659,431 4.116,432 2.516,433 1.528,434 2.142,436 3.373,437 1.508,438 2.619,439 1.465,440 3.933,441 2.345,442 1.347,443 1.657,445 3.329,446 1.343,447 2.615,448 1.458,449 3.927,450 2.345,451 1.347,452 1.652,454 3.329,455 1.343,456 2.491,457 1.38,458 3.608,459 2.249,460 1.286,461 1.49,463 2.902,464 1.24,465 2.49,466 1.351,467 3.6,468 2.242,469 1.247,470 1.49,472 2.902,473 1.24,474 20.1,475 0.49,476 0.791,477 0.019,478 52.5,479 1.28,480 27,481 0.659,482 25.5,483 0.622,484 43.398,485 1.058,486 42.3,487 0.522,488 38.382,489 0.936,490 9.345,491 0.228,492 10.881,493 0.265,494 0.025,496 0.323,501 0.972,502 1.12,503 0.895,504 0.985,505 0.868,506 0.944,507 0.994,508 1.154,509 0.949,510 1.036,511 0.819,512 0.998,513 1.188,514 1.121,515 0.949,516 0.985,517 1.089,518 0.959,519 1.411,520 1.073,521 1.056,522 0.999,523 1.183,524 1.004,525 1.578,526 1.123,527 1.269,528 1.145,529 1.369,530 1.18,531 0.875,532 1.066,533 1.098,534 1.124,535 0.941,536 1.125,537 0.925,538 0.786,539 0.915,540 0.853,541 0.894,542 0.878,543 0.517,544 0.743,545 0.756,546 0.793,547 0.619,548 0.79,549 6,550 0.231,551 3.778,552 3.063,553 2.573,554 0.889,555 0.599,556 0.406,557 0.338,558 0.482,559 33573,560 62306,561 2.236,562 49.4,563 15,564 15,567 2,568 4,569 4,572 1.803,573 2.177,574 3.75,575 -0.008,582 99.901,583 1.233,584 3.184,585 4.259,586 4.889,587 5.071,588 5.071,589 3.026,590 3.845,591 5.338,592 4.045,593 3316.95,594 9.407,595 61330.5,600 513.528,601 1.053,602 5.323,603 0.128,604 0.005,605 0.057,606 0.043,607 0.039,608 0.015,609 0.011,610 0.008,611 0.006,612 0.008,613 0.32,614 0.33,615 0.63,616 0.261,617 235.684,618 0.018,619 -0.001,620 0.07,621 0.046,622 0.074,623 0.058,624 0.031,625 -0.087,626 0.027,627 -0.026,628 0.122,629 -0.005,630 0.028,631 -0.079,632 0.048,633 -0.008,634 0.025,635 0.016,636 0.009,637 -0.014,638 -0.046,639 -0.041,640 -0.017,641 -0.046,642 -0.285,643 -0.066,644 -0.272,645 -0.174,646 -0.323,647 -0.213,648 -0.062,649 -0.108,650 -0.121,651 -0.126,652 -0.089,653 -0.127,654 -0.042,655 0.151,656 0.075,657 0.131,658 0.008,659 0.114,660 0.16,661 0.186,662 0.22,663 0.215,664 0.221,665 0.22,666 0.573,667 2.007,668 0.829,669 45.899,670 0.979,671 1.117,672 5.291,673 27.993,674 0.676,675 3.871,676 4.205,677 4.533,678 4.868,679 5.153,680 5.231,681 5.371,682 5.517,683 5.638,684 5.638,685 9.261,686 0.624,687 540.81,688 3.871,689 5.425,690 6.297,691 7.191,692 8.078,693 8.978,694 9.871,695 10.774,696 11.67,697 12.574,698 4.9,703 2,708 2,714 4,715 11,716 2,720 9,722 28,734 2,741 81,743 28,744 3,745 47,747 87,748 37,749 24,750 7,751 11,756 7,757 13,763 1,767 8,770 10,772 24,773 13,793 40,794 4,795 2,796 4,802 4,808 0.429,822 2,829 7,833 4,859 3,864 1,868 41,876 12,877 2,901 18.833,902 14.817,903 8.889,904 5.575,907 5.965,908 1.623,909 1.051,910 7.527,911 15.539,912 4.127,913 4.775,914 5.428,915 6.077,916 6.681,917 6.989,918 7.351,919 7.721,920 8.067,921 8.091,922 1,923 71,924 15.241,926 6.551,927 0.026,929 7.321,931 30.773,933 26.754,936 1.821,937 74.667,941 447.302,942 179.01,943 69.593,948 179.01,949 447.302,950 69.593,951 8.825,952 29.557,953 104.239,954 69.593,955 36.389,957 447.302,959 447.302,960 248.602,964 400.217,965 47.084,968 48.184,969 130.826,970 69.593,972 447.302,973 69.593,974 179.01,977 447.302,978 65.946,979 113.064,980 36.022,981 33.571,982 447.302,983 69.593,984 179.01,986 0.576,987 0.345,988 0.207,989 0.118,990 34,991 13,992 0.092,993 8,994 4,995 1.235,996 5.196,997 429.677,998 0.235,999 34,1000 177.66,1005 26.323,1006 11.724,1007 5.517,1008 4.749,1009 69.593,1010 24.342,1011 10.014,1015 12.269,1017 36.022,1018 695.904,1019 61,1031 79.312,1032 90.467,1034 0.195,1035 0.502,1036 0.672,1037 0.771,1038 0.8,1039 0.8,1040 5.371,1041 2.072,1042 6.267,1043 6.71,1044 4.89,1045 5.464,1046 0.495,1047 7.098,1048 4.857,1049 6.576,1050 1.956,1051 7.825,1052 6.041,1053 4.369,1054 5.316,1056 8.015,1057 4.323,1058 7.893,1059 1.531,1060 9.488,1061 5.277,1062 6.488,1063 7.747,1064 0.097,1065 11.177,1066 6.423,1067 9.25,1068 1.528,1069 11.216,1070 3.39,1071 6.836,1072 8.467,1074 12.972,1075 6.755,1076 10.643,1077 1.347,1078 12.988,1079 3.373,1080 8.381,1081 10.355,1082 0.016,1083 15.641,1084 8.283,1085 12.063,1086 1.347,1087 14.79,1088 3.329,1089 9.157,1090 11.487,1092 17.799,1093 9.039,1094 13.504,1095 1.286,1096 16.614,1097 3.329,1098 10.462,1099 13.153,1100 0.003,1101 20.307,1102 10.328,1103 3.227,1104 1.247,1105 18.455,1106 2.902,1107 11.446,1108 14.485,1110 22.619,1111 11.29,1112 3.226,1113 11.348,1114 20.308,1115 2.902,1116 12.655,1117 16.058,1119 25.073,1120 12.482,1121 2.8,1122 11.348,1123 22.173,1124 4.564,1125 13.736,1126 17.485,1128 27.45,1129 13.54,1130 2.532,1131 8.37,1132 24.045,1133 4.564,1134 14.911,1135 19.021,1137 29.887,1138 14.695,1139 2.532,1140 8.37,1141 25.925,1142 3.826,1143 16.036,1144 20.494,1146 32.292,1147 15.798,1148 2.214,1149 8.166,1150 27.811,1151 3.437,1152 17.201,1153 22.015,1155 34.723,1156 16.942,1157 2.176,1158 6.716,1159 29.702,1160 3.437,1161 18.347,1162 23.51,1164 37.141,1165 18.066,1166 29868,1167 40856,1168 32.997,1169 54.728,1170 70.108,1171 70.572,1172 71.371,1173 70.11,1174 70.153,1175 91.708,1176 1.6,1177 202.233,1178 68.984,1179 5.587,1180 5.361,1181 6.515,1182 5.247,1183 5.227,1184 7.564,1185 0.8,1186 18.879,1187 5.162,1188 8.772,1189 1.492,1190 1.502,1191 1.519,1192 1.492,1193 1.493,1194 1.951,1195 0.034,1196 4.303,1197 1.468,1198 4.142,1199 4.174,1200 4.098,1201 4.068,1202 4.992,1203 4.072,1204 4.088,1205 4.118,1206 4.052,1207 4.018,1208 4.954,1209 4.023,1210 3.96,1211 3.989,1212 3.896,1213 3.911,1214 4.715,1215 3.904,1216 3.733,1217 3.782,1218 3.618,1219 3.651,1220 4.411,1221 3.637,1222 3.731,1223 3.78,1224 3.617,1225 3.649,1226 4.41,1227 3.635,1228 3.548,1229 3.624,1230 3.404,1231 3.389,1232 4.227,1233 3.382,1234 3.46,1235 3.538,1236 3.317,1237 3.296,1238 4.196,1239 3.289,1240 3.243,1241 3.308,1242 3.105,1243 3.129,1244 3.983,1245 3.114,1246 0.099,1247 0.072,1248 0.145,1249 0.09,1250 0.069,1251 4.64,1252 0.097,1253 3.361,1254 0.009,1255 6.829,1256 0.241,1257 4.207,1258 0.067,1259 3.227,1260 4.564,1261 0.4,1262 11.348,1263 3.162,1264 2.074,1265 2.048,1266 2.161,1267 2.165,1268 1.436,1269 2.166,1270 2.071,1271 2.046,1272 2.158,1273 2.162,1274 1.434,1275 2.162,1276 1.965,1277 1.939,1278 2.087,1279 2.04,1280 1.312,1281 2.058,1282 1.754,1283 1.709,1284 1.949,1285 1.873,1286 1.162,1287 1.902,1288 1.754,1289 1.709,1290 1.949,1291 1.872,1292 1.145,1293 1.902,1294 1.542,1295 1.474,1296 1.791,1297 1.745,1298 1.064,1299 1.765,1300 1.453,1301 1.382,1302 1.72,1303 1.661,1304 0.898,1305 1.684,1306 1.257,1307 1.2,1308 1.502,1309 1.428,1310 0.755,1311 1.46,1312 4.554,1314 5.883,1316 7.426,1318 9.074,1320 10.779,1322 2.23,1328 13.353,1329 7.711,1340 50.568,1341 99.901,1342 257.919,1343 344.945,1344 396.018,1345 410.773,1346 410.773,1347 54.162,1348 9.574,1349 49.84,1350 49.84,1351 42,1352 13.095,1353 4.858,1354 3.907,1355 54.5,1356 236,1357 164,1358 0.11,1359 303.054,1360 517.32,1361 731.213,1362 299291,1364 27.597,1365 0.673,1366 0.591,1367 27.597,1368 24.231,1369 20.225,1370 0.43,1371 0.332,1372 15.539,1373 19.967,1374 15.152,1375 12.526,1376 20.225,1377 15.61,1378 18.039,1379 0.273,1380 0.181,1381 18.039,1382 11.953,1383 15.72,1384 0.171,1385 0.097,1386 15.72,1387 8.966,1388 14.294,1389 0.111,1390 0.055,1391 14.294,1392 7.049,1393 12.292,1394 0.071,1395 0.031,1396 12.292,1397 5.337,1398 0.177,1399 123.078,1400 0.174,1401 36.996,1402 0.286,1403 226,1404 449.956,1405 233.549,1406 459.138,1407 668.97,1408 438,1409 271,1410 523.014,1411 279.659,1412 539.083,1413 798.48,1414 514,1415 8.128}
{0 CHEMBL507885,1 1.355,2 23.667,3 7.719,4 59.589,5 221.063,6 6.431,7 0.39,8 4.791,9 4.921,10 4.235,11 4.318,12 5.739,13 4.265,14 5.39,15 5.597,16 4.563,17 4.729,18 6.246,19 4.647,20 5.658,21 5.882,22 4.705,23 4.94,24 6.491,25 4.832,26 5.824,27 6.066,28 4.699,29 5.013,30 6.669,31 4.879,32 5.868,33 6.133,34 4.661,35 5.031,36 6.649,37 4.874,38 5.883,39 6.152,40 4.568,41 4.993,42 6.68,43 4.823,44 5.853,45 6.136,46 4.446,47 4.933,48 6.604,49 4.741,50 5.759,51 6.051,52 4.383,53 4.845,54 6.45,55 4.65,56 0.1,57 1.586,58 27.167,59 11.348,60 15.186,61 15.912,62 0.541,63 2.645,64 50.852,65 18.275,66 38.686,67 26.639,68 0.481,69 3.322,70 65.934,71 24.972,72 47.956,73 35.938,74 0.847,75 3.724,76 78.749,77 28.558,78 87.118,79 41.147,80 0.6,81 3.866,82 81.134,83 30.564,84 74.13,85 44.558,86 0.747,87 3.787,88 83.09,89 30.582,90 91.803,91 44.188,92 0.927,93 3.602,94 80.652,95 30.101,96 89.742,97 43.311,98 0.461,99 3.297,100 72.205,101 28.181,102 51.948,103 40.982,104 53,105 80,106 0.192,107 0.436,108 0.636,109 0.717,110 0.729,111 0.729,112 4.009,113 1.028,114 -5.78,115 -5.64,116 -5.26,121 40.4,122 2,123 8,126 2,127 10,144 12,145 8,146 2,160 2,176 25,179 2,180 18,187 26,192 18,200 18,205 2,206 22,214 16,219 18,227 20,232 10,239 30,243 5,244 6,251 34,256 2,264 24,268 2,269 16,277 16,281 8888,282 37.394,283 37.394,284 37.394,285 37.394,286 37.394,287 34.366,288 51.984,289 22.332,290 38.162,291 28.916,292 28.916,293 28.916,294 28.916,295 28.916,296 24.094,297 68.876,298 10.306,299 29.861,300 5.478,301 3.76,302 2.347,303 1.777,304 1.693,305 1.693,306 4.719,313 2740,314 5.831,318 985.826,322 1165.72,324 563.871,325 4.716,326 39.21,329 0.5,330 0.33,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.65,337 114,338 1278,339 4.76,340 3.762,341 7.063,342 4.345,343 3.352,344 4.728,345 1.946,346 12.215,347 3.33,348 4.206,349 3.736,350 6.251,351 3.861,352 2.895,353 3.805,354 1.946,355 9.408,356 2.793,357 4.206,358 3.398,359 6.159,360 3.84,361 2.875,362 3.805,363 0.916,364 9.118,365 2.773,366 4.097,367 3.188,368 6.159,369 3.84,370 2.875,371 3.467,372 0.916,373 9.118,374 2.772,375 3.893,376 3.188,377 6.01,378 3.649,379 2.674,380 3.072,381 0.86,382 8.524,383 2.599,384 3.699,385 2.891,386 5.803,387 3.355,388 2.383,389 3.046,390 0.86,391 7.7,392 2.357,393 3.623,394 2.729,395 5.321,396 3.302,397 2.379,398 2.971,399 0.827,400 6.713,401 2.241,402 3.43,403 2.729,404 5.284,405 3.299,406 2.341,407 2.467,408 0.827,409 6.713,410 2.195,411 3.429,412 2.483,413 5.284,414 3.245,415 2.247,416 2.467,417 0.359,418 6.646,419 2.194,420 3.162,421 2.233,422 5.115,423 2.874,424 1.879,425 2.341,426 0.359,427 5.946,428 1.869,429 2.917,430 2.211,431 4.539,432 2.725,433 1.742,434 2.088,435 0.172,436 4.403,437 1.708,438 2.917,439 1.959,440 4.316,441 2.674,442 1.691,443 2.088,444 0.172,445 4.052,446 1.66,447 2.891,448 1.958,449 4.316,450 2.497,451 1.545,452 2.023,454 4.034,455 1.469,456 2.848,457 1.888,458 4.233,459 2.484,460 1.536,461 1.955,463 3.871,464 1.447,465 2.842,466 1.692,467 4.054,468 2.447,469 1.451,470 1.954,472 3.463,473 1.435,474 25.933,475 0.48,476 1.016,477 0.019,478 60,479 1.111,480 26,481 0.481,482 34,483 0.63,484 66.956,485 1.24,486 60.467,487 0.53,488 52.225,489 0.967,490 11.497,491 0.213,492 14.917,493 0.276,494 0.103,496 0.293,501 0.768,502 1.449,503 0.927,504 1.241,505 0.564,506 1.12,507 1.136,508 1.016,509 1.012,510 0.926,511 0.657,512 0.938,513 0.993,514 1.127,515 1,516 1.067,517 0.947,518 1.034,519 1.255,520 1.058,521 1.098,522 1.025,523 1.413,524 1.043,525 0.827,526 1.069,527 0.988,528 1.059,529 0.876,530 1.039,531 1.118,532 1.027,533 1.078,534 1.051,535 1.185,536 1.059,537 0.987,538 0.88,539 1.04,540 0.97,541 1.12,542 1.009,543 0.581,544 1.053,545 0.875,546 1.053,547 0.718,548 1.007,549 9,550 0.454,551 5.333,552 3.25,553 3.662,554 1.444,555 1.091,556 0.826,557 0.525,558 0.327,559 75601,560 156752,561 2.088,562 52.6,563 8,564 38,568 4,569 10,572 1.862,573 1.976,574 4.454,575 -0.848,582 154.452,583 1.355,584 3.073,585 4.486,586 5.056,587 5.14,588 5.14,589 3.884,590 4.533,591 5.717,592 4.739,593 6781.08,594 10.157,595 168270,600 778.949,601 1.32,602 5.696,603 0.153,604 0.008,605 0.067,606 0.036,607 0.043,608 0.018,609 0.015,610 0.013,611 0.009,612 0.006,613 0.366,614 0.17,615 0.5,616 0.737,617 345.24,618 0.036,619 -0.202,620 0.073,621 -0.078,622 0.025,623 -0.013,624 -0.037,625 0.141,626 0.015,627 0.103,628 0.011,629 0.072,630 -0.041,631 -0.042,633 -0.029,634 -0.017,635 -0.012,636 -0.075,637 -0.026,638 -0.083,639 -0.024,640 -0.098,641 -0.052,642 -0.013,643 -0.06,644 -0.013,645 -0.058,646 0.021,647 -0.037,648 -0.082,649 -0.048,650 -0.084,651 -0.066,652 -0.04,653 -0.073,654 0.002,655 0.07,656 -0.055,657 0.004,658 -0.055,659 -0.029,660 0.075,661 -0.12,662 0.073,663 -0.058,664 0.017,665 -0.003,666 1.425,667 6.436,668 0.519,669 127.473,670 0.986,671 1.127,672 4.551,673 20.711,674 0.642,675 4.094,676 4.394,677 4.691,678 4.963,679 5.252,680 5.371,681 5.572,682 5.759,683 5.953,684 6.043,685 13.89,686 0.594,687 733.1,688 4.094,689 5.631,690 6.485,691 7.359,692 8.235,693 9.122,694 10.009,695 10.905,696 11.802,697 12.704,698 3.5,701 2,705 2,714 2,715 12,720 8,722 23,739 2,741 114,743 25,744 4,745 59,747 119,748 46,749 22,750 10,751 12,756 6,757 16,763 2,770 8,772 24,773 22,777 2,782 2,786 2,793 60,794 8,796 8,802 4,808 0.5,809 4,829 6,833 5,835 2,844 2,855 2,859 3,864 4,868 54,876 18,878 2,881 4,893 3.5,896 2,898 2,901 27.333,902 21.467,903 12.333,904 7.593,907 3.996,908 1.403,909 0.97,910 14.59,911 13.899,912 4.297,913 4.832,914 5.395,915 5.955,916 6.534,917 6.813,918 7.245,919 7.653,920 8.061,921 8.236,922 0.938,923 90,924 20.154,926 8.388,927 0.026,929 7.5,931 39.959,933 33.168,936 2,937 108,941 706.266,942 238.62,943 12.497,945 72.29,948 238.62,949 778.556,950 12.497,951 39.417,952 47.582,953 113.715,954 59.699,955 62.995,957 706.266,959 706.266,960 251.118,961 72.29,964 588.555,965 190.001,968 71.481,969 179.637,972 706.266,973 84.787,974 238.62,977 706.266,978 85.489,979 165.629,981 72.29,982 706.266,983 84.787,984 238.62,986 0.566,987 0.343,988 0.187,989 0.105,990 34,991 16,992 0.168,993 20,994 5,995 1.286,996 6.256,997 567.953,998 0.357,999 26,1000 244.764,1005 39.938,1006 19.727,1007 10.126,1008 2.619,1009 84.787,1010 25.266,1015 9.224,1018 1029.67,1019 72.5,1024 26.871,1028 0.483,1031 112.457,1032 128.456,1034 0.198,1035 0.45,1036 0.656,1037 0.74,1038 0.752,1039 0.752,1040 5.54,1041 2.341,1042 6.45,1043 6.713,1044 5.081,1045 5.521,1046 3.114,1047 7.259,1048 5.025,1049 6.708,1050 2.247,1051 8.004,1052 6.713,1053 4.575,1054 5.286,1055 2.339,1056 8.172,1057 4.489,1058 8,1059 1.879,1060 9.661,1061 6.646,1062 6.666,1063 7.665,1064 3.784,1065 11.298,1066 6.557,1067 9.33,1068 1.742,1069 11.381,1070 5.946,1071 7.022,1072 8.328,1073 3.838,1074 13.083,1075 6.889,1076 10.698,1077 1.691,1078 13.143,1079 4.403,1080 8.536,1081 10.184,1082 4.866,1083 15.737,1084 8.386,1085 12.093,1086 1.545,1087 14.934,1088 4.052,1089 9.306,1090 11.288,1091 5.253,1092 17.907,1093 9.142,1094 13.511,1095 1.536,1096 16.747,1097 4.034,1098 10.59,1099 12.942,1100 6.102,1101 20.42,1102 10.414,1103 3.352,1104 1.451,1105 18.577,1106 3.871,1107 11.564,1108 14.268,1109 6.631,1110 22.767,1111 11.381,1112 2.895,1113 12.215,1114 20.421,1115 3.463,1116 12.761,1117 15.843,1118 7.392,1119 25.246,1120 12.57,1121 2.875,1122 9.408,1123 22.278,1124 4.728,1125 13.835,1126 17.281,1127 7.988,1128 27.674,1129 13.642,1130 2.875,1131 9.118,1132 24.145,1133 3.805,1134 15.005,1135 18.829,1136 8.704,1137 30.154,1138 14.808,1139 2.674,1140 9.118,1141 26.021,1142 3.805,1143 16.131,1144 20.322,1145 9.333,1146 32.619,1147 15.934,1148 2.383,1149 8.524,1150 27.906,1151 3.467,1152 17.297,1153 21.864,1154 10.025,1155 35.105,1156 17.1,1157 2.379,1158 7.7,1159 29.798,1160 3.072,1161 18.451,1162 23.385,1163 10.672,1164 37.589,1165 18.254,1166 71165,1167 102636,1168 39.759,1169 73.16,1170 86.011,1171 88.309,1172 89.153,1173 85.698,1174 85.738,1175 105.228,1176 20.32,1177 241.965,1178 83.284,1179 5.735,1180 5.762,1181 6.836,1182 5.385,1183 5.352,1184 7.728,1185 3.356,1186 19.605,1187 5.33,1188 27.396,1189 1.458,1190 1.497,1191 1.511,1192 1.453,1193 1.453,1194 1.784,1195 0.344,1196 4.101,1197 1.412,1198 4.183,1199 4.207,1200 4.143,1201 4.133,1202 7.429,1203 4.133,1204 3.965,1205 4.001,1206 3.895,1207 3.878,1208 7.425,1209 3.878,1210 3.925,1211 3.957,1212 3.861,1213 3.845,1214 4.897,1215 3.844,1216 3.794,1217 3.846,1218 3.699,1219 3.64,1220 4.848,1221 3.64,1222 3.769,1223 3.822,1224 3.643,1225 3.638,1226 4.847,1227 3.628,1228 3.68,1229 3.745,1230 3.556,1231 3.505,1232 4.394,1233 3.511,1234 3.609,1235 3.673,1236 3.494,1237 3.436,1238 4.392,1239 3.425,1240 3.523,1241 3.599,1242 3.41,1243 3.418,1244 4.29,1245 3.424,1246 0.081,1247 0.064,1248 0.12,1249 0.074,1250 0.057,1251 4.76,1252 0.08,1253 3.762,1254 0.033,1255 7.063,1256 0.207,1257 4.345,1258 0.056,1259 3.352,1260 4.728,1261 1.946,1262 12.215,1263 3.33,1264 2.146,1265 2.128,1266 2.214,1267 2.21,1268 1.482,1269 2.213,1270 1.913,1271 1.887,1272 2.048,1273 2.032,1274 1.363,1275 2.039,1276 1.913,1277 1.887,1278 2.047,1279 2.031,1280 1.358,1281 2.038,1282 1.775,1283 1.72,1284 1.987,1285 1.947,1286 1.199,1287 1.959,1288 1.759,1289 1.701,1290 1.981,1291 1.92,1292 1.194,1293 1.942,1294 1.642,1295 1.581,1296 1.855,1297 1.851,1298 1.087,1299 1.853,1300 1.581,1301 1.512,1302 1.842,1303 1.793,1304 1.032,1305 1.81,1306 1.526,1307 1.483,1308 1.775,1309 1.727,1310 1.014,1311 1.753,1312 4.779,1314 6.084,1316 7.596,1318 9.213,1320 10.892,1322 7.865,1328 15.609,1330 11.092,1333 8.97,1340 67.695,1341 154.452,1342 350.303,1343 511.361,1344 576.42,1345 585.93,1346 585.93,1347 116.441,1348 9.903,1349 65.56,1350 65.56,1351 36,1352 13.226,1353 4.7,1354 3.858,1355 91.45,1356 449,1357 408,1358 0.096,1359 412.764,1360 731.44,1361 998.904,1362 428237,1364 37.865,1365 0.701,1366 0.613,1367 37.865,1368 33.078,1369 26.414,1370 0.448,1371 0.343,1372 19.979,1373 25.562,1374 19.368,1375 16.121,1376 26.414,1377 20.211,1378 22.489,1379 0.281,1380 0.187,1381 22.489,1382 15,1383 19.622,1384 0.182,1385 0.106,1386 19.622,1387 11.453,1388 16.152,1389 0.114,1390 0.059,1391 16.152,1392 8.344,1393 13.755,1394 0.072,1395 0.033,1396 13.755,1397 6.179,1398 0.16,1399 164.244,1400 0.159,1401 47.39,1402 0.238,1403 278,1404 681.523,1405 297.178,1406 655.636,1407 902.92,1408 620,1409 327,1410 654.223,1411 347.958,1412 670.154,1413 981.16,1414 628,1415 8.316}
{0 CHEMBL507903,1 1.438,2 23,3 7.114,4 50.603,5 205.482,6 6.708,7 0.321,8 4.722,9 4.847,10 4.193,11 4.23,12 5.734,13 4.19,14 5.314,15 5.515,16 4.528,17 4.628,18 6.258,19 4.562,20 5.57,21 5.796,22 4.664,23 4.797,24 6.523,25 4.713,26 5.71,27 5.944,28 4.633,29 4.845,30 6.755,31 4.735,32 5.733,33 5.988,34 4.572,35 4.86,36 6.62,37 4.727,38 5.764,39 6.024,40 4.561,41 4.85,42 6.743,43 4.709,44 5.707,45 5.965,46 4.411,47 4.811,48 6.639,49 4.645,50 5.684,51 5.961,52 4.296,53 4.726,54 6.513,55 4.548,56 0.039,57 1.477,58 24.281,59 10.313,60 12.352,61 14.175,62 0.59,63 2.415,64 46.59,65 16.492,66 41.784,67 23.755,68 0.398,69 2.933,70 60.285,71 21.894,72 53.952,73 31.333,74 1.056,75 3.195,76 71.252,77 24.173,78 161.895,79 34.613,80 0.655,81 3.267,82 72.129,83 25.563,84 95.743,85 36.979,86 1.199,87 3.271,88 75.498,89 25.987,90 160.018,91 37.544,92 0.936,93 3.094,94 70.645,95 25.881,96 148.447,97 36.815,98 0.71,99 2.953,100 69.379,101 24.457,102 111.416,103 35.538,104 81,105 76,106 0.207,107 0.444,108 0.622,109 0.707,110 0.729,111 0.739,112 3.972,113 1.012,114 -5.39,115 -5.28,116 -4.93,121 39.6,122 2,123 8,126 2,127 8,144 10,145 6,146 2,160 4,176 20,179 4,180 20,187 18,192 22,200 9,205 4,206 26,214 10,219 14,227 16,231 7,232 8,239 26,243 4,244 6,251 26,256 8,264 16,268 4,269 16,277 10,281 8010,282 35.689,283 35.689,284 35.689,285 35.689,286 35.689,287 33.193,288 42.459,289 21.273,290 36.445,291 27.344,292 27.344,293 27.344,294 27.344,295 27.344,296 23.166,297 47.623,298 9.745,299 28.219,300 5.29,301 3.643,302 2.408,303 1.821,304 1.67,305 1.595,306 4.671,313 2534,314 5.568,317 277.506,318 586.94,321 473.51,324 325.651,325 4.538,326 61.019,329 0.5,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.68,337 112,338 1196,339 4.712,340 3.99,341 7.058,342 4.4,343 3.407,344 4.362,345 1.349,346 12.072,347 3.378,348 4.426,349 3.915,350 6.877,351 4.165,352 3.181,353 3.815,354 1.349,355 11.359,356 3.124,357 4.206,358 3.273,359 6.159,360 3.84,361 2.875,362 3.805,363 0.916,364 9.118,365 2.773,366 4.206,367 3.24,368 6.159,369 3.84,370 2.875,371 3.805,372 0.916,373 9.118,374 2.773,375 3.554,376 3.188,377 5.797,378 3.306,379 2.381,380 2.807,381 0.86,382 7.686,383 2.212,384 3.544,385 3.188,386 5.603,387 3.304,388 2.38,389 2.753,390 0.86,391 6.928,392 2.201,393 3.43,394 2.729,395 5.525,396 3.259,397 2.301,398 2.467,399 0.8,400 6.713,401 2.198,402 3.43,403 2.729,404 5.39,405 3.176,406 2.144,407 2.467,408 0.8,409 6.713,410 2.186,411 3.319,412 2.574,413 5.284,414 2.937,415 1.966,416 2.449,417 0.172,418 6.597,419 1.961,420 3.154,421 2.102,422 5.284,423 2.932,424 1.879,425 2.273,426 0.172,427 5.976,428 1.904,429 2.917,430 1.985,431 4.316,432 2.729,433 1.735,434 2.088,436 4.042,437 1.721,438 2.917,439 1.957,440 4.316,441 2.665,442 1.681,443 2.088,445 4.041,446 1.65,447 2.855,448 1.942,449 3.87,450 2.487,451 1.539,452 1.958,454 3.534,455 1.45,456 2.851,457 1.83,458 3.848,459 2.484,460 1.535,461 1.956,463 3.499,464 1.447,465 2.736,466 1.638,467 3.828,468 2.425,469 1.429,470 1.741,472 3.023,473 1.423,474 24.6,475 0.473,476 1.041,477 0.02,478 58,479 1.115,480 25,481 0.481,482 33,483 0.635,484 61.62,485 1.185,486 58.8,487 0.555,488 53.273,489 1.024,490 11.096,491 0.213,492 14.207,493 0.273,494 0.136,496 0.309,501 0.695,502 1.499,503 0.874,504 1.274,505 0.518,506 1.124,507 0.902,508 1.047,509 0.945,510 0.949,511 0.566,512 0.941,513 0.859,514 1.113,515 0.86,516 1.053,517 0.734,518 0.962,519 1.12,520 1.054,521 1.057,522 1.026,523 1.083,524 1.03,525 0.928,526 1.068,527 0.982,528 1.046,529 1.031,530 1.023,531 0.898,532 0.919,533 0.993,534 0.972,535 0.876,536 0.992,537 0.865,538 1.002,539 1.076,540 1.092,541 0.82,542 1.116,543 0.931,544 1.038,545 1.016,546 1.04,547 1.121,548 1.046,549 8,550 0.417,551 5.778,552 4.972,553 2.649,554 1.869,555 1.339,556 0.674,557 0.478,558 0.421,559 66938,560 153371,561 2.037,562 50.9,563 8,564 32,569 14,572 1.854,573 1.902,574 4.403,575 -0.804,582 152.409,583 1.438,584 3.085,585 4.32,586 4.907,587 5.058,588 5.133,589 3.873,590 4.364,591 5.665,592 4.698,593 6230.04,594 10.052,595 151335,600 713.16,601 1.42,602 5.628,603 0.143,604 0.007,605 0.076,606 0.058,607 0.034,608 0.025,609 0.019,610 0.011,611 0.009,612 0.008,613 0.391,614 0.17,615 0.5,616 0.81,617 329.498,618 0.01,619 -0.235,620 0.063,621 -0.099,622 0.006,623 -0.027,624 0.033,625 0.11,626 0.041,627 0.085,628 0.041,629 0.068,630 0.011,631 -0.047,632 0.114,633 -0.025,634 0.077,635 0.052,636 0.014,637 -0.035,638 -0.048,639 -0.036,640 0.088,641 -0.049,642 -0.044,643 -0.071,644 -0.005,645 -0.048,646 -0.053,647 -0.024,648 0.101,649 0.06,650 0.001,651 0.003,652 0.112,653 -0.01,654 0.031,655 -0.036,656 -0.102,657 -0.087,658 0.07,659 -0.112,660 -0.053,661 -0.106,662 -0.04,663 -0.061,664 -0.1,665 -0.053,666 2.053,667 6.296,668 0.462,669 117.503,670 0.995,671 1.129,672 4.164,673 17.338,674 0.639,675 4.043,676 4.344,677 4.654,678 4.905,679 5.106,680 5.198,681 5.361,682 5.509,683 5.565,684 5.595,685 13.579,686 0.599,687 711,688 4.043,689 5.58,690 6.438,691 7.314,692 8.195,693 9.084,694 9.978,695 10.878,696 11.781,697 12.689,698 3.8,701 2,705 2,715 10,720 8,722 18,739 2,741 106,743 22,744 3,745 56,747 110,748 42,749 18,750 8,751 10,752 4,756 5,757 8,763 2,770 8,772 22,773 20,777 4,782 4,786 4,793 54,794 10,796 10,802 4,805 2,808 0.6,809 6,828 2,829 3,832 2,835 1,855 2,859 3,864 4,868 52,876 16,878 2,881 4,893 5.7,896 4,898 2,901 27.333,902 20.133,903 12,904 7.167,907 2.905,908 1.313,909 0.952,910 14.583,911 12.178,912 4.248,913 4.749,914 5.307,915 5.813,916 6.299,917 6.517,918 6.862,919 7.08,920 7.224,921 7.147,922 1,923 85,924 19.52,926 8.282,927 0.026,929 7.712,931 37.668,933 30.833,936 2.212,937 115,941 635.64,942 219.72,943 12.497,945 122.579,948 219.72,949 758.219,950 12.497,951 39.417,952 43.371,953 94.762,954 119.398,955 57.849,957 635.64,959 635.64,960 232.217,961 122.579,964 470.844,965 287.375,968 67.27,969 164.947,972 635.64,973 135.077,974 219.72,977 635.64,978 85.541,979 146.676,981 122.579,982 635.64,983 135.077,984 219.72,986 0.566,987 0.351,988 0.191,989 0.101,990 31,991 16,992 0.2,993 22,994 2,995 1.167,996 6.071,997 527.187,998 0.167,999 24,1000 232.423,1005 39.34,1006 19.277,1007 9.579,1009 135.077,1010 19.094,1015 5.007,1018 990.436,1019 69,1024 53.183,1028 -1.547,1031 105.461,1032 119.63,1034 0.214,1035 0.459,1036 0.642,1037 0.729,1038 0.752,1039 0.763,1040 5.495,1041 2.144,1042 6.412,1043 6.713,1044 5.03,1045 5.438,1046 2.807,1047 7.242,1048 4.978,1049 6.662,1050 1.966,1051 7.985,1052 6.713,1053 4.575,1054 5.198,1055 0.931,1056 8.212,1057 4.5,1058 7.956,1059 1.879,1060 9.666,1061 6.597,1062 6.635,1063 7.528,1064 2.908,1065 11.357,1066 6.534,1067 9.291,1068 1.735,1069 11.411,1070 5.976,1071 7.074,1072 8.171,1073 1.616,1074 13.201,1075 6.956,1076 10.666,1077 1.681,1078 13.199,1079 4.042,1080 8.564,1081 9.974,1082 3.179,1083 15.876,1084 8.428,1085 12.07,1086 1.539,1087 15.016,1088 4.041,1089 9.419,1090 11.02,1091 2.308,1092 18.082,1093 9.273,1094 13.498,1095 1.535,1096 16.854,1097 3.534,1098 10.701,1099 12.618,1100 3.569,1101 20.609,1102 10.543,1103 3.407,1104 1.429,1105 18.709,1106 3.499,1107 11.745,1108 13.855,1109 3.001,1110 22.967,1111 11.58,1112 3.181,1113 12.072,1114 20.576,1115 3.023,1116 12.956,1117 15.365,1118 4.033,1119 25.448,1120 12.782,1121 2.875,1122 11.359,1123 22.455,1124 4.362,1125 14.082,1126 16.697,1127 3.682,1128 27.871,1129 13.904,1130 2.875,1131 9.118,1132 24.343,1133 3.815,1134 15.273,1135 18.168,1136 4.543,1137 30.34,1138 15.088,1139 2.381,1140 9.118,1141 26.239,1142 3.805,1143 16.437,1144 19.551,1145 4.347,1146 32.79,1147 16.247,1148 2.38,1149 7.686,1150 28.142,1151 3.805,1152 17.627,1153 21.006,1154 5.081,1155 35.259,1156 17.432,1157 2.301,1158 6.928,1159 30.05,1160 2.807,1161 18.809,1162 22.418,1163 4.997,1164 37.722,1165 18.609,1166 63840,1167 97008,1168 36.986,1169 67.785,1170 81.929,1171 86.072,1172 86.063,1173 81.317,1174 81.372,1175 98.816,1176 16.391,1177 231.656,1178 79.285,1179 5.692,1180 5.99,1181 6.882,1182 5.436,1183 5.407,1184 7.362,1185 2.549,1186 19.498,1187 5.378,1188 30.351,1189 1.463,1190 1.537,1191 1.537,1192 1.452,1193 1.453,1194 1.765,1195 0.293,1196 4.137,1197 1.416,1198 4.1,1199 4.118,1200 4.074,1201 4.004,1202 7.452,1203 4.018,1204 3.961,1205 3.993,1206 3.893,1207 3.874,1208 7.441,1209 3.875,1210 3.925,1211 3.957,1212 3.861,1213 3.845,1214 7.409,1215 3.844,1216 3.797,1217 3.848,1218 3.728,1219 3.641,1220 7.408,1221 3.641,1222 3.757,1223 3.815,1224 3.613,1225 3.632,1226 4.877,1227 3.617,1228 3.689,1229 3.743,1230 3.574,1231 3.498,1232 4.847,1233 3.519,1234 3.586,1235 3.662,1236 3.431,1237 3.411,1238 4.586,1239 3.405,1240 3.531,1241 3.593,1242 3.38,1243 3.353,1244 4.394,1245 3.354,1246 0.084,1247 0.071,1248 0.126,1249 0.079,1250 0.061,1251 4.712,1252 0.078,1253 3.99,1254 0.024,1255 7.058,1256 0.216,1257 4.4,1258 0.06,1259 3.407,1260 4.362,1261 1.349,1262 12.072,1263 3.378,1264 1.913,1265 1.889,1266 2.051,1267 2.032,1268 1.382,1269 2.039,1270 1.913,1271 1.887,1272 2.051,1273 2.032,1274 1.382,1275 2.039,1276 1.895,1277 1.887,1278 1.997,1279 1.954,1280 1.215,1281 1.961,1282 1.774,1283 1.713,1284 1.996,1285 1.94,1286 1.215,1287 1.959,1288 1.772,1289 1.711,1290 1.945,1291 1.938,1292 1.127,1293 1.949,1294 1.609,1295 1.539,1296 1.859,1297 1.829,1298 1.074,1299 1.838,1300 1.603,1301 1.531,1302 1.858,1303 1.823,1304 1.074,1305 1.835,1306 1.451,1307 1.39,1308 1.724,1309 1.684,1310 0.959,1311 1.693,1312 4.727,1314 6.033,1315 3.045,1316 7.537,1317 5.638,1318 9.137,1319 7.888,1320 10.793,1322 7.699,1328 13.257,1330 11,1333 7.307,1340 63.544,1341 152.409,1342 326.996,1343 457.901,1344 520.14,1345 536.14,1346 544.14,1347 162.766,1348 9.274,1349 103.08,1350 103.08,1351 28,1352 13.207,1353 4.524,1354 3.807,1355 97.066,1356 425,1357 377,1358 0.107,1359 389.78,1360 703.08,1361 942.824,1362 208554,1364 37.037,1365 0.712,1366 0.602,1367 37.037,1368 31.326,1369 25.303,1370 0.452,1371 0.337,1372 18.643,1373 24.334,1374 18.131,1375 15.119,1376 25.303,1377 18.896,1378 21.32,1379 0.281,1380 0.18,1381 21.32,1382 13.657,1383 19,1384 0.183,1385 0.099,1386 19,1387 10.339,1388 15.456,1389 0.115,1390 0.054,1391 15.456,1392 7.244,1393 12.088,1394 0.074,1395 0.03,1396 12.088,1397 4.983,1398 0.18,1399 158.657,1400 0.164,1401 46.082,1402 0.267,1403 264,1404 750.994,1405 288.273,1406 710.715,1407 961.36,1408 666,1409 312,1410 688.904,1411 338.606,1412 697.985,1413 1030.24,1414 654,1415 8.114}
{0 CHEMBL508510,1 1.494,2 8.04,3 4.96,4 24.606,5 101.91,6 8.273,7 0.643,8 3.845,9 3.929,10 3.55,11 3.541,12 5.014,13 3.486,14 4.308,15 4.418,16 3.943,17 3.949,18 5.44,19 3.86,20 4.632,21 4.79,22 4.102,23 4.128,24 5.699,25 4.006,26 4.638,27 4.826,28 3.948,29 4.071,30 5.617,31 3.933,32 4.637,33 4.819,34 4.004,35 4.091,36 5.661,37 3.972,38 4.69,39 4.883,40 3.901,41 4.098,42 5.699,43 3.97,44 4.624,45 4.819,46 3.877,47 3.985,48 5.745,49 3.88,50 4.52,51 4.735,52 3.482,53 3.751,54 5.64,55 3.62,56 0.042,57 0.496,58 7.662,59 3.914,60 10.676,61 4.543,62 0.017,63 0.831,64 14.061,65 6.834,66 11.401,67 8.03,68 0.166,69 1.231,70 25.023,71 10.072,72 31.641,73 11.301,74 0.154,75 1.247,76 26.133,77 10.458,78 30.108,79 12.169,80 0.217,81 1.201,82 24.525,83 10.147,84 35.126,85 12.156,86 0.187,87 1.271,88 26.683,89 10.859,90 34.743,91 12.919,92 0.179,93 1.146,94 22.993,95 9.794,96 31.342,97 12.244,98 0.126,99 1.032,100 21.41,101 8.959,102 33.611,103 11.115,104 5,105 39,106 0.258,107 0.534,108 0.681,109 0.859,110 0.908,111 0.924,112 3.268,113 0.963,114 -4.95,115 -4.85,116 -4.55,121 50,123 1,129 1,144 12,145 2,146 4,159 1,176 11,180 3,185 4,187 15,192 5,197 4,200 13,206 3,211 2,214 10,219 3,222 1,224 3,227 19,232 1,239 19,244 1,247 1,249 5,251 17,261 8,264 11,274 4,277 4,281 800,282 17.102,283 17.102,284 17.102,285 17.102,286 17.102,287 14.678,288 15.485,289 10.192,290 17.4,291 13.88,292 13.88,293 13.88,294 13.88,295 13.88,296 10.334,297 15.882,298 4.907,299 14.444,300 3.898,301 2.305,302 1.453,303 0.429,304 0.143,305 0.048,306 3.97,311 1,312 1,313 440,314 2,318 188.247,319 60.731,323 104.002,325 1.088,326 19.387,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 52.5,338 201,339 4.387,340 4.628,341 6.383,342 4.02,343 3.07,344 3.976,345 3.272,346 9.931,347 2.924,348 4.13,349 3.37,350 6.064,351 3.747,352 2.774,353 3.718,354 0.986,355 8.834,356 2.697,357 4.088,358 3.177,359 6.025,360 3.678,361 2.711,362 3.686,364 8.672,365 2.605,366 3.631,367 2.672,368 5.082,369 3.225,370 2.267,371 2.984,373 6.192,374 2.163,375 3.485,376 2.609,377 5.022,378 3.114,379 2.178,380 2.729,382 6.001,383 2.028,384 2.998,385 2.165,386 4.494,387 2.532,388 1.597,389 2.175,391 4.508,392 1.5,393 2.932,394 1.87,395 4.342,396 2.489,397 1.524,398 2.093,400 4.083,401 1.439,402 2.796,403 1.633,404 3.831,405 2.364,406 1.38,407 1.903,409 3.005,410 1.352,411 2.692,412 1.441,413 3.621,414 2.219,415 1.232,416 1.776,418 2.857,419 1.212,420 2.569,421 1.212,422 3.473,423 2.101,424 1.106,425 1.582,427 2.526,428 1.099,429 2.359,430 1.139,431 3.462,432 1.87,433 0.911,434 1.274,436 2.347,437 0.864,438 1.247,439 0.657,440 2.864,441 0.934,447 1.104,448 0.541,449 2.796,450 0.727,451 -0.175,452 -0.208,454 -0.511,455 -0.155,456 0.943,457 -0.056,458 2.509,459 0.539,460 -0.397,461 -0.502,463 -0.883,464 -0.365,465 0.917,466 -0.057,467 2,468 0.516,469 -0.411,470 -0.515,472 -0.919,473 -0.375,474 12.4,475 0.496,476 0.571,477 0.023,478 36.5,479 1.46,480 21.5,481 0.86,482 15,483 0.6,484 18.224,485 0.729,486 24.8,487 0.59,488 25.198,489 1.008,490 6.968,491 0.279,492 5.219,493 0.209,494 0.054,496 0.323,501 0.94,502 0.835,503 0.742,504 0.739,505 0.994,506 0.755,507 0.631,508 1.125,509 0.96,510 1.054,511 0.553,512 0.99,513 1.018,514 1.122,515 1.23,516 1.118,517 0.944,518 1.014,519 0.854,520 1.064,521 1.231,522 1.118,523 0.752,524 1.038,525 0.733,526 0.955,527 0.982,528 0.984,529 0.75,530 0.954,531 0.927,532 0.967,533 1.134,534 1.04,535 0.891,536 1.018,537 0.751,538 0.995,539 0.797,540 0.991,541 0.837,542 0.994,543 1.06,544 1.121,545 0.982,546 1.129,547 1.039,548 1.172,549 5,550 0.025,551 2.444,552 1.25,553 1.477,554 0.803,555 0.361,556 0.443,557 0.213,558 0.111,559 6589,560 18043,561 2.154,562 40.5,564 13,567 2,568 2,572 1.689,573 2.055,574 3.039,575 0.194,582 62.752,583 1.494,584 3.088,585 3.939,586 4.964,587 5.249,588 5.345,589 2.383,590 3.684,591 4.617,592 3.164,593 949.208,594 8.033,595 11245.6,597 1,600 226.477,601 1.26,602 4.592,603 0.179,604 0.006,605 0.063,606 0.03,607 0.04,608 0.02,609 0.009,610 0.012,611 0.009,612 0.009,613 0.377,614 0.5,615 1,616 0.477,617 117.489,618 -0.111,619 0.101,620 0.032,621 0.136,622 -0.157,623 0.09,625 -0.156,626 -0.016,627 -0.083,628 0.047,629 -0.094,630 -0.099,631 -0.076,632 -0.065,633 -0.042,634 -0.095,635 -0.066,636 -0.075,637 -0.024,638 -0.103,639 -0.059,640 -0.045,641 -0.057,642 0.057,643 0.036,644 0.025,645 0.014,646 0.011,647 0.019,648 -0.1,649 0.021,650 -0.131,651 -0.044,652 -0.085,653 -0.037,654 0.14,655 -0.057,656 0.072,657 -0.071,658 0.079,659 -0.015,660 -0.02,661 -0.192,662 -0.118,663 -0.217,664 0.048,665 -0.179,666 1.431,667 3.856,668 0.92,669 18.4,670 0.998,671 1.099,672 3.72,673 13.839,674 0.73,675 3.367,676 3.689,677 3.951,678 4.234,679 4.522,680 4.625,681 4.796,682 4.956,683 5.075,684 5.142,685 5.226,686 0.687,687 347.46,688 3.367,689 4.905,690 5.753,691 6.629,692 7.495,693 8.377,694 9.251,695 10.135,696 11.014,697 11.899,698 2.4,707 1,715 12,720 6,722 18,725 1,738 2,741 42,743 19,744 3,745 28,747 45,748 21,749 18,750 6,751 12,752 1,756 4,757 5,767 2,770 2,772 19,773 2,777 1,785 1,786 1,793 17,794 3,795 2,796 4,797 1,802 1,808 0.75,809 2,829 3,830 1,834 1,859 3,860 1,862 1,868 25,875 2,876 1,879 1,880 1,893 4.8,895 2,901 12.167,902 7.35,903 5.417,904 2.408,907 3.617,908 1.486,909 0.974,910 4.41,911 11.061,912 3.664,913 4.27,914 4.83,915 5.392,916 5.949,917 6.124,918 6.539,919 6.958,920 7.412,921 7.782,922 1,923 42,924 9.225,926 3.986,927 0.026,929 7.713,931 17.722,933 14.926,936 2.213,937 55.333,940 1,941 176.567,942 161.904,943 16.786,945 85.367,947 32.22,948 129.685,949 261.933,950 16.786,952 2.535,953 113.715,954 88.123,955 27.464,957 208.786,959 176.567,960 146.47,961 85.367,962 32.22,964 176.567,965 85.367,968 19.32,969 127.15,971 32.22,972 176.567,973 102.152,974 161.904,977 176.567,978 48.189,979 113.715,981 102.152,982 176.567,983 102.152,984 161.904,986 0.58,987 0.332,988 0.184,989 0.108,990 20,991 8,992 0.044,993 2,994 1,995 1.087,996 3.643,997 218.541,998 0.087,999 23,1000 116.096,1001 1,1005 16.099,1006 6.849,1007 3.517,1009 102.152,1010 22.691,1015 4.544,1017 85.367,1018 440.623,1019 38,1027 4.871,1028 0.932,1031 41.902,1032 46.159,1034 0.277,1035 0.573,1036 0.731,1037 0.921,1038 0.974,1039 0.991,1040 4.887,1041 1.38,1042 5.727,1043 4.083,1044 4.369,1045 4.956,1046 3.193,1047 6.515,1048 4.288,1049 6.091,1050 1.232,1051 7.265,1052 3.005,1053 3.892,1054 4.605,1056 7.322,1057 3.733,1058 7.386,1059 1.106,1060 8.899,1061 2.857,1062 5.938,1063 7.11,1064 5.448,1065 10.423,1066 5.777,1067 8.712,1068 0.911,1069 10.591,1070 2.526,1071 6.256,1072 7.531,1074 12.047,1075 6.013,1076 10.066,1078 12.319,1079 2.347,1080 7.766,1081 9.505,1082 7.807,1083 14.636,1084 7.524,1085 11.44,1086 -0.175,1087 14.072,1089 8.471,1090 10.319,1092 16.609,1093 8.151,1094 12.83,1095 -0.397,1096 15.843,1097 -0.511,1098 9.744,1099 12.028,1100 10.177,1101 19.001,1102 9.416,1103 3.07,1104 -0.411,1105 17.626,1106 -0.883,1107 10.643,1108 13.061,1110 21.13,1111 10.243,1112 2.774,1113 9.931,1114 19.42,1115 -0.919,1116 11.81,1117 14.622,1118 12.548,1119 23.445,1120 11.39,1121 2.711,1122 8.834,1123 21.221,1124 3.976,1125 12.806,1126 15.783,1128 25.646,1129 12.322,1130 2.267,1131 8.672,1132 23.028,1133 3.718,1134 13.927,1135 17.259,1136 14.919,1137 27.931,1138 13.414,1139 2.178,1140 6.192,1141 24.84,1142 3.686,1143 14.973,1144 18.497,1146 30.168,1147 14.401,1148 1.597,1149 6.001,1150 26.656,1151 2.984,1152 16.078,1153 19.924,1154 17.29,1155 32.442,1156 15.467,1157 1.524,1158 4.508,1159 28.475,1160 2.729,1161 17.15,1162 21.209,1164 34.698,1165 16.484,1166 6239,1167 10421,1168 19.186,1169 30.654,1170 42.276,1171 44.682,1172 42.49,1173 41.664,1174 41.499,1175 55.791,1176 8.517,1177 117.913,1178 39.765,1179 5.286,1180 6.628,1181 6.067,1182 5.149,1183 5.07,1184 6.976,1185 6.545,1186 16.527,1187 4.924,1188 8.995,1189 1.51,1190 1.596,1191 1.518,1192 1.488,1193 1.482,1194 1.993,1195 0.304,1196 4.211,1197 1.42,1198 4.025,1199 4.048,1200 4.113,1201 3.984,1202 6.473,1203 3.964,1204 3.88,1205 3.902,1206 3.836,1207 3.819,1208 6.468,1209 3.815,1210 3.836,1211 3.859,1212 3.8,1213 3.787,1214 4.865,1215 3.776,1216 3.459,1217 3.504,1218 3.464,1219 3.372,1220 4.615,1221 3.349,1222 3.09,1223 3.124,1224 3.234,1225 3.016,1226 4.607,1227 2.981,1228 2.932,1229 2.97,1230 2.848,1231 2.758,1232 4.277,1233 2.75,1234 2.926,1235 2.968,1236 2.805,1237 2.746,1238 3.825,1239 2.749,1240 2.818,1241 2.877,1242 2.767,1243 2.745,1244 3.603,1245 2.718,1246 0.157,1247 0.165,1248 0.228,1249 0.144,1250 0.11,1251 4.387,1252 0.142,1253 4.628,1254 0.117,1255 6.383,1256 0.355,1257 4.02,1258 0.104,1259 3.07,1260 3.976,1261 3.272,1262 9.931,1263 2.924,1264 1.937,1265 1.915,1266 2.036,1267 2.024,1268 1.263,1269 2.03,1270 1.911,1271 1.892,1272 1.994,1273 1.981,1274 1.106,1275 1.995,1276 1.836,1277 1.813,1278 1.944,1279 1.913,1280 1.031,1281 1.928,1282 1.473,1283 1.434,1284 1.646,1285 1.612,1286 0.862,1287 1.635,1288 1.083,1289 1.052,1290 1.211,1291 1.226,1292 0.37,1293 1.236,1294 0.883,1295 0.839,1296 1.139,1297 1.138,1298 0.198,1299 1.131,1300 0.883,1301 0.839,1302 1.136,1303 1.13,1304 0.168,1305 1.13,1306 0.859,1307 0.803,1308 1.121,1309 1.018,1310 0.154,1311 1.064,1312 4.043,1314 5.361,1316 6.87,1317 2.708,1318 8.462,1319 5.293,1320 10.095,1327 19.691,1328 0.715,1331 1.754,1332 0.136,1340 28.853,1341 62.752,1342 129.683,1343 165.458,1344 208.477,1345 220.477,1346 224.477,1347 37.048,1348 7.444,1349 52.82,1350 78.12,1351 25,1352 12.433,1353 4.322,1354 3.459,1355 35.514,1356 80,1357 68,1358 0.225,1359 179.28,1360 310.41,1361 429.203,1362 16490,1364 17.225,1365 0.689,1366 0.571,1367 17.579,1368 14.279,1369 12.187,1370 0.435,1371 0.321,1372 8.137,1373 11.528,1374 7.876,1375 6.498,1376 12.595,1377 8.984,1378 11.096,1379 0.285,1380 0.185,1381 11.738,1382 7.227,1383 9.17,1384 0.18,1385 0.108,1386 9.992,1387 5.513,1388 7.852,1389 0.115,1390 0.062,1391 8.739,1392 4.212,1393 6.738,1394 0.074,1395 0.036,1396 7.73,1397 3.267,1398 0.338,1399 78.765,1400 0.228,1401 23.618,1402 0.667,1403 134,1404 346.805,1405 165.884,1406 367.371,1407 506.81,1408 344,1409 157,1410 360.278,1411 186.316,1412 383.401,1413 559.7,1414 363,1415 4.148}
{0 CHEMBL508778,1 1.512,2 13.976,3 5.04,4 25.398,5 156.128,6 7.125,7 0.467,8 4.439,9 4.565,10 3.961,11 3.971,12 5.503,13 3.944,14 5.002,15 5.178,16 4.353,17 4.385,18 6.077,19 4.332,20 5.309,21 5.519,22 4.392,23 4.533,24 6.315,25 4.454,26 5.375,27 5.618,28 4.409,29 4.512,30 6.416,31 4.434,32 5.321,33 5.53,34 4.398,35 4.476,36 6.522,37 4.416,38 5.333,39 5.55,40 4.424,41 4.516,42 6.473,43 4.437,44 5.417,45 5.645,46 4.371,47 4.507,48 6.526,49 4.415,50 5.411,51 5.668,52 4.214,53 4.422,54 6.459,55 4.322,56 0.04,57 1.139,58 16.8,59 7.186,60 10.732,61 9.691,62 0.412,63 1.843,64 31.781,65 12.425,66 49.066,67 17.371,68 0.581,69 2.318,70 45.957,71 15.734,72 77.233,73 21.999,74 0.619,75 2.415,76 50.423,77 16.062,78 86.884,79 23.31,80 0.977,81 2.272,82 47.759,83 14.487,84 137.608,85 20.264,86 0.621,87 2.288,88 47.296,89 16.672,90 113.625,91 23.319,92 0.71,93 2.379,94 52.824,95 17.529,96 115.284,97 24.443,98 0.902,99 2.287,100 54.696,101 16.096,102 135.924,103 22.888,104 41,105 64,106 0.23,107 0.57,108 0.746,109 0.832,110 0.86,111 0.863,112 3.741,113 0.947,114 -3.23,115 -3.22,116 -3.09,121 41,122 3,123 6,127 1,129 1,132 1,144 8,145 4,146 1,148 2,153 1,154 1,160 2,161 1,176 14,179 1,180 8,183 4,185 8,187 18,192 5,195 1,196 1,197 7,200 11,206 11,209 2,210 1,211 10,214 11,218 2,219 5,222 2,223 1,224 5,227 12,231 2,232 8,235 2,236 1,237 5,239 14,244 12,247 3,248 1,249 9,251 8,256 8,259 1,261 7,264 4,268 2,269 5,272 2,274 8,277 10,281 3576,282 27.308,283 27.308,284 27.308,285 27.308,286 27.308,287 24.424,288 25.708,289 16.133,290 27.656,291 22.283,292 22.283,293 22.283,294 22.283,295 22.283,296 17.731,297 26.367,298 7.707,299 22.818,300 4.774,301 2.539,302 1.375,303 0.811,304 0.632,305 0.606,306 4.443,312 1,313 1249,314 5.385,317 104.701,318 452.125,321 194.576,322 373.442,325 1.837,326 47.035,329 0.75,330 0.5,331 0.67,332 0.7,333 0.5,334 0.83,335 1,336 0.71,337 88.5,338 573,339 4.645,340 3.82,341 6.836,342 4.214,343 3.234,344 4.566,345 2.189,346 11.38,347 3.169,348 4.529,349 3.669,350 6.542,351 4.086,352 3.138,353 4.474,354 1.952,355 10.337,356 3.046,357 4.167,358 3.612,359 6.447,360 4.058,361 3.082,362 3.441,363 1.907,364 10.157,365 2.926,366 3.951,367 3.305,368 6.042,369 3.748,370 2.762,371 3.245,372 0.412,373 8.676,374 2.714,375 3.917,376 3.168,377 5.982,378 3.524,379 2.532,380 3.097,381 0.193,382 8.37,383 2.512,384 3.702,385 3.128,386 5.441,387 3.395,388 2.401,389 2.988,390 0.149,391 6.99,392 2.379,393 3.435,394 2.663,395 5.111,396 3.071,397 2.095,398 2.726,400 5.937,401 2.014,402 3.399,403 2.313,404 4.951,405 3,406 2.017,407 2.659,409 5.745,410 1.974,411 3.376,412 2.276,413 4.887,414 2.96,415 1.965,416 2.546,418 5.6,419 1.946,420 3.046,421 1.864,422 4.239,423 2.519,424 1.546,425 2.318,427 3.847,428 1.504,429 2.935,430 1.636,431 4.116,432 2.51,433 1.52,434 2.138,436 3.461,437 1.501,438 2.691,439 1.593,440 4.017,441 2.373,442 1.403,443 1.749,445 3.329,446 1.353,447 2.587,448 1.546,449 3.827,450 2.345,451 1.347,452 1.615,454 3.247,455 1.343,456 2.495,457 1.444,458 3.594,459 2.242,460 1.247,461 1.487,463 2.902,464 1.24,465 2.485,466 1.35,467 3.58,468 2.131,469 1.146,470 1.462,472 2.721,473 1.125,474 19.333,475 0.472,476 1.168,477 0.028,478 49.25,479 1.201,480 23,481 0.561,482 26.25,483 0.64,484 44.252,485 1.079,486 44.867,487 0.575,488 42.996,489 1.049,490 9.304,491 0.227,492 10.372,493 0.253,494 0.129,495 0.026,496 0.31,501 0.753,502 1.286,503 0.833,504 1.097,505 0.575,506 0.987,507 0.544,508 1.186,509 0.814,510 1.077,511 0.464,512 1,513 1.25,514 1.108,515 1.095,516 1.023,517 1.022,518 1.036,519 1.116,520 1.008,521 0.951,522 0.927,523 1.141,524 0.907,525 1.513,526 0.952,527 1.187,528 0.928,529 1.621,530 0.985,531 0.963,532 1.106,533 0.956,534 1.11,535 1.09,536 1.046,537 1.305,538 1.133,539 1.089,540 1.128,541 1.478,542 1.092,543 1.667,544 0.821,545 1.145,546 0.809,547 1.746,548 0.882,549 9,550 0.379,551 4.444,552 3.229,553 2.137,554 1.524,555 1.109,556 0.636,557 0.551,558 0.497,559 29490,560 70362,561 2.069,562 47.4,563 6,564 11,565 1,567 4,568 4,569 11,572 1.808,573 1.929,574 3.706,575 1.387,582 117.902,583 1.512,584 3.746,585 4.91,586 5.474,587 5.654,588 5.679,589 2.943,590 4.833,591 5.336,592 3.965,593 3251.33,594 9.435,595 59805.7,600 490.261,601 1.537,602 5.28,603 0.2,604 0.008,605 0.069,606 0.05,607 0.033,608 0.025,609 0.017,610 0.011,611 0.011,612 0.01,613 0.434,614 0.17,615 0.75,616 1.059,617 234.471,618 -0.051,619 -0.056,620 0.04,621 0.007,622 -0.042,623 0.036,624 0.262,625 -0.063,626 0.108,627 -0.022,628 0.151,629 0.01,630 -0.134,631 -0.063,632 -0.11,633 -0.03,634 -0.122,635 -0.065,636 -0.042,637 0.012,638 0.054,639 0.025,640 -0.034,641 0.051,642 -0.066,643 0.104,644 -0.153,645 0.012,646 -0.041,647 -0.064,648 0.124,649 -0.098,650 0.031,651 -0.11,652 0.129,653 -0.063,654 -0.025,655 -0.167,656 -0.069,657 -0.155,658 -0.051,659 -0.128,660 -0.247,661 0.123,662 -0.085,663 0.11,664 -0.197,665 0.05,666 2.343,667 6.281,668 0.561,669 45.521,670 0.999,671 1.128,672 2.005,673 4.02,674 0.654,675 3.829,676 4.174,677 4.407,678 4.71,679 4.927,680 5.024,681 5.153,682 5.247,683 5.278,684 5.209,685 8.859,686 0.62,687 555.74,688 3.829,689 5.389,690 6.232,691 7.125,692 7.989,693 8.886,694 9.759,695 10.658,696 11.538,697 12.437,698 6.4,705 3,706 1,708 1,714 4,715 9,716 1,717 1,720 4,722 21,741 78,743 24,744 2,745 45,747 82,748 32,749 17,750 4,751 8,756 5,757 9,763 3,767 4,770 7,772 20,773 12,774 1,777 3,782 3,786 3,793 37,794 8,795 4,796 9,802 5,808 0.4,809 4,822 1,824 1,828 1,829 4,832 1,833 2,843 2,856 1,859 2,864 3,868 41,876 7,877 3,878 1,880 1,882 1,893 5.1,896 3,898 1,901 21.25,902 14.7,903 8.819,904 4.871,907 3.979,908 1.471,909 0.979,910 8.838,911 12.428,912 4.086,913 4.689,914 5.245,915 5.866,916 6.402,917 6.725,918 7.101,919 7.454,920 7.6,921 7.547,922 0.889,923 64,924 15.337,926 6.657,927 0.026,929 7.766,931 29.257,933 24.436,936 2.266,937 92.917,941 388.446,942 166.137,943 87.603,945 86.435,948 166.137,949 474.881,950 87.603,951 26.476,952 71.345,953 84.857,954 101.63,955 46.96,956 20.678,957 376.675,959 388.446,960 253.74,961 86.435,964 258.964,965 215.917,968 119.507,969 117.447,970 16.786,972 388.446,973 174.038,974 166.137,977 388.446,978 54.804,979 111.333,980 70.818,981 103.22,982 388.446,983 174.038,984 166.137,986 0.585,987 0.323,988 0.184,989 0.1,990 30,991 14,992 0.122,993 10,994 3,995 1.261,996 4.99,997 411.009,998 0.261,999 23,1000 214.905,1005 28.939,1006 12.522,1007 7.202,1008 3.709,1009 157.252,1010 17.461,1011 4.828,1012 3.206,1015 3.869,1017 70.818,1018 728.621,1019 58.5,1024 38.92,1028 -1.257,1031 77.956,1032 87.972,1034 0.24,1035 0.596,1036 0.781,1037 0.871,1038 0.899,1039 0.904,1040 5.344,1041 2.017,1042 6.244,1043 5.937,1044 4.86,1045 5.378,1046 3.099,1047 7.077,1048 4.812,1049 6.562,1050 1.965,1051 7.816,1052 5.745,1053 4.575,1054 5.308,1055 2.624,1056 8.132,1057 4.506,1058 7.885,1059 1.546,1060 9.494,1061 5.6,1062 6.506,1063 7.607,1064 4.244,1065 11.173,1066 6.402,1067 9.242,1068 1.52,1069 11.233,1070 3.847,1071 7.013,1072 8.366,1073 4.35,1074 13.021,1075 6.881,1076 10.631,1077 1.403,1078 13.012,1079 3.461,1080 8.453,1081 10.19,1082 5.55,1083 15.622,1084 8.291,1085 12.043,1086 1.347,1087 14.817,1088 3.329,1089 9.312,1090 11.345,1091 5.925,1092 17.781,1093 9.118,1094 13.474,1095 1.247,1096 16.641,1097 3.247,1098 10.565,1099 12.982,1100 6.929,1101 20.239,1102 10.343,1103 3.234,1104 1.146,1105 18.478,1106 2.902,1107 11.583,1108 14.329,1109 7.455,1110 22.527,1111 11.328,1112 3.138,1113 11.38,1114 20.326,1115 2.721,1116 12.765,1117 15.889,1118 8.355,1119 24.938,1120 12.482,1121 3.082,1122 10.337,1123 22.182,1124 4.566,1125 13.854,1126 17.325,1127 8.97,1128 27.285,1129 13.539,1130 2.762,1131 10.157,1132 24.044,1133 4.474,1134 15.01,1135 18.854,1136 9.812,1137 29.683,1138 14.669,1139 2.532,1140 8.676,1141 25.912,1142 3.441,1143 16.131,1144 20.331,1145 10.483,1146 32.057,1147 15.76,1148 2.401,1149 8.37,1150 27.784,1151 3.245,1152 17.28,1153 21.847,1154 11.293,1155 34.456,1156 16.882,1157 2.095,1158 6.99,1159 29.66,1160 3.097,1161 18.416,1162 23.342,1163 11.999,1164 36.845,1165 17.991,1166 27627,1167 42863,1168 29.819,1169 51.029,1170 68.438,1171 70.718,1172 68.91,1173 67.427,1174 67.442,1175 86.66,1176 13.605,1177 196.376,1178 65.971,1179 5.615,1180 5.82,1181 6.522,1182 5.285,1183 5.234,1184 7.566,1185 3.892,1186 18.912,1187 5.169,1188 21.679,1189 1.521,1190 1.572,1191 1.531,1192 1.498,1193 1.499,1194 1.926,1195 0.302,1196 4.364,1197 1.466,1198 4.144,1199 4.178,1200 4.099,1201 4.062,1202 7.438,1203 4.067,1204 4.098,1205 4.128,1206 4.059,1207 4.024,1208 7.428,1209 4.028,1210 3.795,1211 3.837,1212 3.717,1213 3.651,1214 7.425,1215 3.638,1216 3.732,1217 3.78,1218 3.619,1219 3.593,1220 4.984,1221 3.609,1222 3.704,1223 3.755,1224 3.591,1225 3.528,1226 4.953,1227 3.531,1228 3.593,1229 3.643,1230 3.492,1231 3.425,1232 4.568,1233 3.432,1234 3.395,1235 3.452,1236 3.296,1237 3.231,1238 4.407,1239 3.245,1240 3.309,1241 3.37,1242 3.209,1243 3.145,1244 4.314,1245 3.14,1246 0.103,1247 0.085,1248 0.152,1249 0.094,1250 0.072,1251 4.645,1252 0.101,1253 3.82,1254 0.049,1255 6.836,1256 0.253,1257 4.214,1258 0.07,1259 3.234,1260 4.566,1261 2.189,1262 11.38,1263 3.169,1264 2.071,1265 2.046,1266 2.156,1267 2.162,1268 1.432,1269 2.161,1270 1.942,1271 1.919,1272 2.039,1273 2.023,1274 1.243,1275 2.029,1276 1.754,1277 1.709,1278 1.949,1279 1.95,1280 1.151,1281 1.937,1282 1.73,1283 1.685,1284 1.948,1285 1.884,1286 1.118,1287 1.902,1288 1.682,1289 1.63,1290 1.882,1291 1.872,1292 1.093,1293 1.893,1294 1.594,1295 1.541,1296 1.798,1297 1.801,1298 1.025,1299 1.802,1300 1.381,1301 1.33,1302 1.537,1303 1.635,1304 0.757,1305 1.61,1306 1.271,1307 1.215,1308 1.481,1309 1.495,1310 0.623,1311 1.482,1312 4.511,1314 5.849,1315 2.398,1316 7.368,1317 4.727,1318 8.977,1319 6.823,1320 10.637,1322 5.301,1328 4.409,1329 8.655,1330 5.408,1332 -0.886,1334 -0.708,1340 48.395,1341 117.902,1342 292.183,1343 382.977,1344 426.977,1345 440.977,1346 442.977,1347 98.163,1348 8.449,1349 125.21,1350 125.21,1351 29,1352 12.964,1353 4.644,1354 3.858,1355 66.283,1356 222,1357 177,1358 0.14,1359 295.586,1360 515.24,1361 712.99,1362 69540,1364 28.985,1365 0.707,1366 0.581,1367 28.985,1368 23.803,1369 19.676,1370 0.437,1371 0.316,1372 14.046,1373 19.017,1374 13.636,1375 11.32,1376 19.676,1377 14.203,1378 18.713,1379 0.292,1380 0.179,1381 18.713,1382 11.488,1383 14.23,1384 0.176,1385 0.089,1386 14.23,1387 7.191,1388 12.593,1389 0.114,1390 0.048,1391 12.593,1392 5.319,1393 9.941,1394 0.073,1395 0.027,1396 9.941,1397 3.72,1398 0.224,1399 122.681,1400 0.183,1401 36.789,1402 0.372,1403 218,1404 605.919,1405 239.449,1406 584.739,1407 797.54,1408 546,1409 254,1410 588.886,1411 272.879,1412 594.024,1413 867.19,1414 560,1415 5.099}
{0 CHEMBL511468,1 1.403,2 13.167,3 4.319,4 18.655,5 119.008,6 7.115,7 0.563,8 4.114,9 4.219,10 3.632,11 3.655,12 5.232,13 3.627,14 4.628,15 4.794,16 3.915,17 4.005,18 5.663,19 3.958,20 4.827,21 5.004,22 4.032,23 4.161,24 5.893,25 4.084,26 4.974,27 5.195,28 3.988,29 4.179,30 5.977,31 4.082,32 4.993,33 5.21,34 3.939,35 4.2,36 6.01,37 4.089,38 4.975,39 5.213,40 3.902,41 4.196,42 5.952,43 4.057,44 4.959,45 5.208,46 3.806,47 4.066,48 5.983,49 3.941,50 4.718,51 4.939,52 3.618,53 3.883,54 5.744,55 3.768,56 0.026,57 0.73,58 12.096,59 5.619,60 10.767,61 7.105,62 0.244,63 1.17,64 22.31,65 8.644,66 25.684,67 11.171,68 0.307,69 1.416,70 27.141,71 11.097,72 36.648,73 14.737,74 0.282,75 1.588,76 32.961,77 12.459,78 49.256,79 16.882,80 0.501,81 1.583,82 34.021,83 12.824,84 64.646,85 17.097,86 0.242,87 1.58,88 32.647,89 13.586,90 47.837,91 18.819,92 0.402,93 1.472,94 33.784,95 12.565,96 70.214,97 17.053,98 0.284,99 1.176,100 25.915,101 9.822,102 50.429,103 13.012,104 27,105 42,106 0.23,107 0.52,108 0.668,109 0.78,110 0.818,111 0.83,112 3.44,113 0.925,114 -4.6,115 -4.52,116 -4.25,121 43.9,126 2,127 4,144 12,145 4,146 2,159 1,176 15,180 6,187 15,191 1,192 12,195 1,200 11,206 9,214 8,218 1,219 4,224 2,227 11,231 1,232 3,237 4,239 12,243 1,244 5,249 4,251 11,256 5,261 2,264 8,269 3,277 5,281 1432,282 20.679,283 20.679,284 20.679,285 20.679,286 20.679,287 18.451,288 20.189,289 12.475,290 21.139,291 15.636,292 15.636,293 15.636,294 15.636,295 15.636,296 12.207,297 25.077,298 5.681,299 16.179,300 4.429,301 2.655,302 1.755,303 1.071,304 0.834,305 0.763,306 4.124,311 1,312 1,313 828,314 3.873,318 351.333,325 2.1,326 26.314,329 1,330 0.83,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.85,337 64.5,338 395,339 4.398,340 3.589,341 6.429,342 4.041,343 3.038,344 4.036,345 0.995,346 9.852,347 3.057,348 4.132,349 3.161,350 6.1,351 3.746,352 2.784,353 3.717,354 0.86,355 8.828,356 2.672,357 3.95,358 3.082,359 5.672,360 3.653,361 2.69,362 3.457,363 0.86,364 7.971,365 2.587,366 3.812,367 2.676,368 5.366,369 3.439,370 2.443,371 3.222,372 0.359,373 7.002,374 2.426,375 3.403,376 2.326,377 5.15,378 3.1,379 2.139,380 2.644,382 6.156,383 2.047,384 3.185,385 2.197,386 4.856,387 2.853,388 1.872,389 2.324,391 5.502,392 1.828,393 2.919,394 1.985,395 4.374,396 2.521,397 1.609,398 2.057,400 4.129,401 1.461,402 2.838,403 1.844,404 3.726,405 2.428,406 1.436,407 1.955,409 3.044,410 1.423,411 2.522,412 1.597,413 3.592,414 2.028,415 1.054,416 1.5,418 2.372,419 1.014,420 2.5,421 1.409,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1.051,431 3.247,432 2,433 1,434 1.394,436 2.136,437 1,438 2.057,439 1,440 3.128,441 1.9,442 0.929,443 1.041,445 1.727,446 0.89,447 1.865,448 1,449 3.014,450 1.529,451 0.612,452 0.743,454 1.119,455 0.554,456 1.452,457 0.934,458 2.865,459 1.183,460 0.328,461 0.359,463 0.44,464 0.278,465 1.291,466 0.41,467 2.568,468 1.021,469 0.038,470 0.045,472 0.098,473 0.037,474 14.233,475 0.474,476 0.533,477 0.018,478 38.75,479 1.292,480 20.5,481 0.683,482 18.25,483 0.608,484 23.462,485 0.782,486 32.567,487 0.571,488 31.225,489 1.041,490 8.294,491 0.276,492 6.345,493 0.211,494 0.117,496 0.274,501 0.832,502 1.237,503 0.838,504 1.119,505 0.749,506 1.002,507 1.251,508 0.911,509 0.995,510 0.852,511 0.863,512 0.867,513 0.783,514 1.179,515 0.986,516 1.134,517 0.767,518 1.097,519 0.986,520 1.079,521 0.987,522 1.038,523 1.054,524 1.011,525 1.115,526 0.943,527 1.101,528 0.957,529 1.187,530 1.014,531 0.447,532 1.107,533 0.891,534 1.145,535 0.557,536 1.098,537 1.02,538 0.904,539 0.935,540 0.924,541 1.319,542 0.922,543 1.205,544 1.057,545 1.107,546 1.055,547 1.405,548 1.069,549 5.5,550 0.149,551 2.889,552 1.875,553 1.467,554 0.889,555 0.647,556 0.339,557 0.279,558 0.209,559 12346,560 32594,561 2.032,562 47.4,564 26,567 1,572 1.725,573 1.915,574 3.673,575 -0.415,577 1,582 79.996,583 1.403,584 3.178,585 4.078,586 4.762,587 4.999,588 5.07,589 3.095,590 4.123,591 4.878,592 3.851,593 1675.37,594 8.492,595 24424.3,597 1,600 332.475,601 1.338,602 4.843,603 0.172,604 0.007,605 0.069,606 0.042,607 0.035,608 0.022,609 0.017,610 0.01,611 0.01,612 0.009,613 0.392,614 0.33,615 1,616 1.047,617 157.071,618 -0.03,619 -0.11,620 0.04,621 -0.045,622 -0.068,623 -0.002,624 -0.179,625 0.183,626 -0.037,627 0.146,628 -0.097,629 0.092,630 0.094,631 -0.123,632 -0.05,633 -0.12,634 0.061,635 -0.112,636 -0.059,637 -0.064,638 -0.014,639 -0.06,640 -0.024,641 -0.033,642 -0.075,643 0.052,644 -0.118,645 0.025,646 -0.096,647 -0.04,648 0.147,649 -0.134,650 0.04,651 -0.132,652 0.138,653 -0.073,654 -0.013,655 0.034,656 0.067,657 0.049,658 -0.035,659 0.065,660 -0.127,661 -0.093,662 -0.116,663 -0.071,664 -0.169,665 -0.091,666 1.737,667 5.851,668 0.6,669 33.6,670 0.998,671 1.118,672 3.369,673 11.35,674 0.662,675 3.497,676 3.761,677 4.007,678 4.205,679 4.394,680 4.407,681 4.489,682 4.511,683 4.543,684 4.615,685 7.728,686 0.627,687 405.53,688 3.497,689 5.004,690 5.832,691 6.681,692 7.525,693 8.38,694 9.229,695 10.087,696 10.939,697 11.799,698 1.8,701 1,715 12,720 6,722 18,727 1,739 2,741 57,743 19,744 3,745 32,747 59,748 25,749 18,750 6,751 12,752 1,756 3,757 3,763 1,772 19,773 6,777 1,782 1,786 1,790 1,793 27,794 5,795 1,796 5,802 1,808 1,809 4,810 1,829 3,855 1,857 1,859 3,864 2,868 30,875 1,876 4,878 2,881 1,893 7,894 1,896 1,898 2,901 15.667,902 10.65,903 7,904 3.157,907 2.99,908 1.412,909 0.937,910 7.887,911 10.254,912 3.761,913 4.297,914 4.846,915 5.342,916 5.855,917 5.958,918 6.248,919 6.446,920 6.728,921 7.088,922 0.889,923 45,924 11.082,926 4.527,927 0.026,929 7.756,931 21.15,933 16.651,936 2.256,937 67.667,939 1,940 1,941 306.049,942 170.161,943 3.124,945 89.828,948 170.161,949 395.877,950 3.124,951 21.766,952 6.317,953 156.398,954 30.278,955 48.353,957 306.049,959 306.049,960 173.285,961 89.828,964 306.049,965 47.145,966 42.683,968 9.441,969 163.844,972 306.049,973 92.952,974 170.161,977 306.049,978 34.68,979 138.605,981 89.828,982 306.049,983 92.952,984 170.161,986 0.559,987 0.335,988 0.181,989 0.097,990 17,991 8,992 0.169,993 10,995 1,996 4.181,997 249.165,999 18,1000 139.207,1005 21.88,1006 10.814,1007 5.854,1009 92.952,1010 22.949,1015 4.566,1017 42.683,1018 569.162,1019 42,1024 12.851,1028 -0.07,1031 56.898,1032 63.734,1034 0.241,1035 0.545,1036 0.699,1037 0.816,1038 0.857,1039 0.869,1040 4.959,1041 1.436,1042 5.784,1043 4.129,1044 4.443,1045 4.984,1046 1.793,1047 6.541,1048 4.39,1049 6.133,1050 1.054,1051 7.31,1052 3.044,1053 3.892,1054 4.605,1055 0.325,1056 7.341,1057 3.832,1058 7.412,1059 1,1060 8.935,1061 2.372,1062 5.984,1063 7.104,1064 1.535,1065 10.401,1066 5.898,1067 8.727,1068 1,1069 10.619,1070 2.275,1071 6.275,1072 7.544,1073 0.504,1074 12.012,1075 6.186,1076 10.073,1077 0.929,1078 12.34,1079 2.136,1080 7.789,1081 9.492,1082 1.342,1083 14.568,1084 7.684,1085 11.442,1086 0.612,1087 14.086,1088 1.727,1089 8.474,1090 10.324,1091 0.585,1092 16.52,1093 8.37,1094 12.827,1095 0.328,1096 15.85,1097 1.119,1098 9.74,1099 12.015,1100 1.189,1101 18.895,1102 9.629,1103 3.038,1104 0.038,1105 17.628,1106 0.44,1107 10.622,1108 13.064,1109 0.622,1110 21.006,1111 10.514,1112 2.784,1113 9.852,1114 19.416,1115 0.098,1116 11.779,1117 14.618,1118 1.066,1119 23.311,1120 11.669,1121 2.69,1122 8.828,1123 21.213,1124 4.036,1125 12.759,1126 15.794,1127 0.639,1128 25.499,1129 12.656,1130 2.443,1131 7.971,1132 23.016,1133 3.717,1134 13.869,1135 17.27,1136 0.969,1137 27.779,1138 13.77,1139 2.139,1140 7.002,1141 24.826,1142 3.457,1143 14.9,1144 18.524,1145 0.646,1146 30.006,1147 14.81,1148 1.872,1149 6.156,1150 26.64,1151 3.222,1152 15.992,1153 19.956,1154 0.891,1155 32.278,1156 15.91,1157 1.609,1158 5.502,1159 28.459,1160 2.644,1161 17.049,1162 21.258,1163 0.648,1164 34.527,1165 16.979,1166 12100,1167 19777,1168 21.266,1169 37.722,1170 46.316,1171 47.843,1172 48.363,1173 45.912,1174 45.942,1175 59.989,1176 6.147,1177 125.301,1178 44.55,1179 5.265,1180 5.589,1181 6.231,1182 5.045,1183 5.038,1184 7.036,1185 1.855,1186 16.683,1187 5.057,1188 14.831,1189 1.447,1190 1.495,1191 1.511,1192 1.435,1193 1.436,1194 1.875,1195 0.192,1196 3.916,1197 1.392,1198 4.022,1199 4.044,1200 3.972,1201 3.95,1202 7.427,1203 3.952,1204 3.915,1205 3.944,1206 3.847,1207 3.847,1208 6.456,1209 3.842,1210 3.846,1211 3.869,1212 3.785,1213 3.776,1214 4.924,1215 3.775,1216 3.6,1217 3.66,1218 3.48,1219 3.403,1220 4.76,1221 3.413,1222 3.345,1223 3.374,1224 3.256,1225 3.142,1226 4.69,1227 3.163,1228 3.247,1229 3.314,1230 3.051,1231 2.994,1232 4.496,1233 2.991,1234 3.209,1235 3.277,1236 3.034,1237 2.952,1238 4.265,1239 2.96,1240 3.079,1241 3.134,1242 2.918,1243 2.901,1244 4.098,1245 2.894,1246 0.137,1247 0.112,1248 0.201,1249 0.126,1250 0.095,1251 4.398,1252 0.126,1253 3.589,1254 0.031,1255 6.429,1256 0.308,1257 4.041,1258 0.096,1259 3.038,1260 4.036,1261 0.995,1262 9.852,1263 3.057,1264 1.973,1265 1.955,1266 2.075,1267 2.065,1268 1.26,1269 2.069,1270 1.912,1271 1.883,1272 2.031,1273 2.008,1274 1.145,1275 2.014,1276 1.835,1277 1.815,1278 1.941,1279 1.933,1280 1.062,1281 1.938,1282 1.556,1283 1.492,1284 1.787,1285 1.78,1286 0.985,1287 1.785,1288 1.27,1289 1.237,1290 1.576,1291 1.536,1292 0.695,1293 1.543,1294 1.192,1295 1.116,1296 1.571,1297 1.523,1298 0.58,1299 1.538,1300 1.178,1301 1.108,1302 1.488,1303 1.442,1304 0.574,1305 1.459,1306 1.075,1307 1.014,1308 1.331,1309 1.265,1310 0.533,1311 1.283,1312 4.174,1314 5.451,1316 6.932,1318 8.501,1320 10.113,1322 3.116,1327 9.41,1328 2.137,1330 10.527,1333 2.181,1340 35.729,1341 79.996,1342 181.133,1343 232.436,1344 271.455,1345 284.965,1346 288.965,1347 60.016,1348 7.263,1349 59,1350 59,1351 18,1352 12.351,1353 4.322,1354 3.459,1355 55.533,1356 144,1357 122,1358 0.192,1359 221.904,1360 391.04,1361 533.206,1362 14079,1364 21.347,1365 0.712,1366 0.579,1367 21.347,1368 17.376,1369 14.639,1370 0.457,1371 0.308,1372 9.72,1373 14.082,1374 9.409,1375 7.87,1376 14.639,1377 9.871,1378 12.18,1379 0.29,1380 0.167,1381 12.18,1382 7.016,1383 10.363,1384 0.192,1385 0.091,1386 10.363,1387 4.933,1388 8.318,1389 0.126,1390 0.051,1391 8.318,1392 3.361,1393 6.475,1394 0.081,1395 0.028,1396 6.475,1397 2.26,1398 0.309,1399 91.961,1400 0.217,1401 28.845,1402 0.505,1403 148,1404 443.001,1405 159.382,1406 420.975,1407 564.64,1408 396,1409 170,1410 391.355,1411 182.299,1412 403.766,1413 582.04,1414 375,1415 5.851}
{0 CHEMBL511575,1 1.285,2 19.075,3 9.064,4 82.163,5 162.895,6 6.906,7 0.636,8 4.406,9 4.517,10 3.917,11 4.012,12 5.436,13 3.963,14 4.946,15 5.113,16 4.227,17 4.389,18 5.904,19 4.315,20 5.214,21 5.429,22 4.283,23 4.507,24 6.125,25 4.402,26 5.281,27 5.517,28 4.264,29 4.487,30 6.217,31 4.378,32 5.225,33 5.448,34 4.259,35 4.504,36 6.169,37 4.396,38 5.277,39 5.504,40 4.239,41 4.546,42 6.207,43 4.418,44 5.271,45 5.515,46 4.11,47 4.501,48 6.111,49 4.347,50 5.198,51 5.463,52 3.936,53 4.367,54 5.994,55 4.191,56 0.057,57 0.96,58 16.585,59 7.722,60 10.931,61 10.192,62 0.197,63 1.629,64 30.251,65 12.735,66 23.751,67 17.029,68 0.285,69 2.05,70 41.236,71 17.055,72 41.86,73 22.997,74 0.514,75 2.158,76 45.511,77 17.726,78 63.867,79 23.899,80 0.34,81 2.069,82 42.11,83 17.107,84 53.693,85 23.075,86 0.457,87 2.168,88 44.473,89 18.315,90 61.927,91 24.826,92 0.314,93 2.158,94 44.234,95 18.501,96 50.148,97 25.391,98 0.45,99 1.994,100 41.84,101 17.215,102 52.949,103 23.989,104 5,105 58,106 0.195,107 0.464,108 0.637,109 0.793,110 0.859,111 0.863,112 3.717,113 0.972,114 -7.2,115 -6.99,116 -6.47,121 46.8,123 5,126 1,127 3,144 18,145 5,146 1,154 2,159 1,176 25,180 11,187 26,192 13,200 20,205 1,206 13,214 17,219 10,227 26,231 1,232 8,239 34,244 2,251 31,255 2,256 4,264 22,269 5,277 13,281 3632,282 27.794,283 27.794,284 27.794,285 27.794,286 27.794,287 24.445,288 15.328,289 17.216,290 28.014,291 21.809,292 21.809,293 21.809,294 21.809,295 21.809,296 16.849,297 17.692,298 8.3,299 22.14,300 4.982,301 3.21,302 2.075,303 1.042,304 0.607,305 0.581,306 4.426,313 1674,314 4.359,317 104.745,318 569.539,321 201.25,325 2.868,326 25.825,329 0.5,330 0.5,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.51,337 83.5,338 763,339 4.735,340 3.657,341 7.044,342 4.338,343 3.331,344 4.656,345 0.916,346 12.102,347 3.352,348 4.104,349 3.051,350 6.063,351 3.727,352 2.719,353 3.708,354 0.86,355 8.633,356 2.745,357 4.07,358 2.943,359 5.992,360 3.633,361 2.644,362 3.668,363 0.172,364 8.435,365 2.616,366 3.927,367 2.876,368 5.484,369 3.597,370 2.625,371 3.455,373 7.392,374 2.559,375 3.685,376 2.504,377 5.347,378 3.295,379 2.34,380 3.11,382 6.91,383 2.225,384 3.408,385 2.367,386 5.144,387 3.118,388 2.166,389 2.756,391 5.836,392 2.055,393 3.294,394 2.182,395 4.819,396 2.967,397 1.965,398 2.364,400 5.518,401 1.964,402 3.032,403 1.899,404 4.471,405 2.809,406 1.819,407 2.284,409 4.209,410 1.795,411 3.003,412 1.737,413 4.133,414 2.544,415 1.554,416 2.216,418 3.691,419 1.537,420 2.88,421 1.619,422 3.859,423 2.52,424 1.513,425 1.975,427 3.486,428 1.522,429 2.797,430 1.53,431 3.617,432 2.455,433 1.462,434 1.842,436 3.079,437 1.45,438 2.698,439 1.469,440 3.601,441 2.329,442 1.351,443 1.77,445 2.897,446 1.316,447 2.5,448 1.323,449 3.535,450 2.205,451 1.209,452 1.5,454 2.785,455 1.203,456 2.5,457 1.227,458 3.462,459 2,460 1,461 1.5,463 2.376,464 1,465 2.5,466 1.022,467 3.414,468 2,469 1,470 1.5,472 2.275,473 1,474 19.4,475 0.485,476 0.657,477 0.016,478 52,479 1.3,480 28,481 0.7,482 24,483 0.6,484 35.777,485 0.894,486 41.8,487 0.543,488 41.051,489 1.026,490 10.226,491 0.256,492 9.461,493 0.237,494 0.043,496 0.253,501 0.754,502 1.141,503 0.85,504 1.056,505 0.616,506 0.975,507 1.097,508 1.049,509 0.999,510 1.031,511 0.71,512 1,513 1.105,514 1.05,515 0.948,516 1.027,517 0.826,518 0.98,519 1.332,520 0.902,521 0.927,522 0.878,523 1.217,524 0.865,525 1.217,526 0.94,527 0.958,528 0.934,529 1.27,530 0.922,531 1.064,532 0.954,533 1.015,534 0.976,535 1.287,536 0.989,537 0.927,538 1.025,539 1.037,540 1.051,541 0.937,542 1.055,543 0.705,544 0.953,545 0.981,546 0.997,547 0.505,548 1.014,549 5,550 0.139,551 3.111,552 2.292,553 1.997,554 1.177,555 0.531,556 0.376,557 0.294,558 0.163,559 33843,560 72845,561 2.138,562 48.1,563 6,564 27,569 4,572 1.791,573 2.069,574 4.099,575 -0.894,582 98.921,583 1.285,584 3.056,585 4.192,586 5.224,587 5.66,588 5.686,589 3.547,590 4.684,591 5.289,592 4.372,593 3410.4,594 9.284,595 66809.6,600 482.543,601 1.076,602 5.283,603 0.114,604 0.005,605 0.054,606 0.039,607 0.035,608 0.02,609 0.009,610 0.008,611 0.008,612 0.005,613 0.296,614 0.33,615 0.5,616 0.349,617 234.534,618 0.028,619 -0.069,620 0.062,621 -0.023,622 0.005,623 0.015,624 -0.056,625 0.016,626 -0.037,627 -0.038,628 0.012,629 -0.031,630 0.002,631 -0.053,632 0.041,633 -0.038,634 0.09,636 0.047,637 0.087,638 0.099,639 0.092,640 0.13,641 0.101,642 -0.053,643 0.058,644 0.04,645 0.05,646 0.058,647 0.055,648 0.024,649 0.031,650 -0.024,651 0.013,652 -0.004,653 -0.006,654 -0.039,655 -0.051,656 -0.057,657 -0.059,658 -0.07,659 -0.06,660 0.145,661 0.01,662 0.006,663 -0.012,664 0.079,665 -0.016,666 1.705,667 6.472,668 0.675,669 64.27,670 0.987,671 1.112,672 5.973,673 35.675,674 0.676,675 3.807,676 4.078,677 4.344,678 4.615,679 4.852,680 4.913,681 5.063,682 5.204,683 5.268,684 5.303,685 11.042,686 0.632,687 531.74,688 3.807,689 5.323,690 6.159,691 7.018,692 7.879,693 8.754,694 9.63,695 10.517,696 11.405,697 12.301,698 1.3,701 1,714 2,715 18,718 1,720 6,722 28,727 1,739 1,741 77,743 29,744 4,745 44,747 81,748 36,749 26,750 6,751 18,752 1,756 5,757 6,770 5,772 27,773 9,777 1,782 1,786 1,792 1,793 37,794 4,796 4,802 1,808 0.8,809 3,828 1,829 4,832 1,855 1,859 4,864 1,868 40,876 8,878 1,881 1,893 3.9,896 1,898 2,901 19.333,902 13.95,903 9,904 4.928,907 4.916,908 1.58,909 0.994,910 9.71,911 13.395,912 4.094,913 4.661,914 5.267,915 5.881,916 6.452,917 6.744,918 7.217,919 7.687,920 8.022,921 8.361,922 1,923 59,924 14.848,926 6.207,927 0.026,929 7.525,931 29.092,933 23.836,936 2.025,937 81,941 435.531,942 236.422,943 3.124,945 45.652,948 236.422,949 481.183,950 3.124,951 8.396,952 21.476,953 170.572,954 30.278,955 44.19,956 10.285,957 435.531,959 435.531,960 239.547,961 45.652,964 388.446,965 92.737,968 24.601,969 214.946,972 435.531,973 48.776,974 236.422,977 435.531,978 57.454,979 182.093,981 45.652,982 435.531,983 48.776,984 236.422,986 0.562,987 0.323,988 0.181,989 0.101,990 25,991 10,992 0.173,993 14,994 1,995 1.074,996 5.301,997 373.093,998 0.074,999 27,1000 200.877,1005 27.738,1006 14.002,1007 7.441,1008 1.537,1009 48.776,1010 35.583,1013 6.193,1015 4.902,1018 720.73,1019 59,1024 13.472,1028 -0.038,1031 75.989,1032 85.6,1034 0.205,1035 0.488,1036 0.669,1037 0.834,1038 0.903,1039 0.907,1040 5.293,1041 1.819,1042 6.098,1043 5.518,1044 4.762,1045 5.349,1046 1.382,1047 6.868,1048 4.739,1049 6.467,1050 1.554,1051 7.619,1052 4.209,1053 4.111,1054 4.945,1055 0.325,1056 7.711,1057 4.084,1058 7.745,1059 1.513,1060 9.251,1061 3.691,1062 6.293,1063 7.529,1064 1.115,1065 10.879,1066 6.258,1067 9.067,1068 1.462,1069 10.955,1070 3.486,1071 6.567,1072 8.074,1073 0.393,1074 12.692,1075 6.545,1076 10.429,1077 1.351,1078 12.71,1079 3.079,1080 8.14,1081 10.054,1082 0.921,1083 15.378,1084 8.111,1085 11.823,1086 1.209,1087 14.503,1088 2.897,1089 8.876,1090 11.079,1091 0.384,1092 17.592,1093 8.869,1094 13.242,1095 1,1096 16.324,1097 2.785,1098 10.195,1099 12.794,1100 0.764,1101 20.136,1102 10.188,1103 3.331,1104 1,1105 18.166,1106 2.376,1107 11.165,1108 14.07,1109 0.351,1110 22.516,1111 11.18,1112 2.719,1113 12.102,1114 20.027,1115 2.275,1116 12.385,1117 15.669,1118 0.634,1119 25.019,1120 12.405,1121 2.644,1122 8.633,1123 21.902,1124 4.656,1125 13.471,1126 17.075,1127 0.312,1128 27.467,1129 13.508,1130 2.625,1131 8.435,1132 23.789,1133 3.708,1134 14.66,1135 18.627,1136 0.525,1137 29.96,1138 14.705,1139 2.34,1140 7.392,1141 25.686,1142 3.668,1143 15.801,1144 20.098,1145 0.273,1146 32.434,1147 15.86,1148 2.166,1149 6.91,1150 27.591,1151 3.455,1152 16.985,1153 21.634,1154 0.433,1155 34.925,1156 17.053,1157 1.965,1158 5.836,1159 29.504,1160 3.11,1161 18.154,1162 23.138,1163 0.236,1164 37.41,1165 18.233,1166 31472,1167 46543,1168 30.394,1169 52.074,1170 64.847,1171 65.55,1172 65.417,1173 64.321,1174 64.263,1175 85.703,1176 3.898,1177 174.441,1178 63.486,1179 5.698,1180 5.657,1181 6.935,1182 5.389,1183 5.331,1184 7.656,1185 1.776,1186 19.503,1187 5.352,1188 12.659,1189 1.474,1190 1.49,1191 1.487,1192 1.462,1193 1.461,1194 1.948,1195 0.089,1196 3.965,1197 1.443,1198 4.151,1199 4.153,1200 4.126,1201 4.068,1202 7.427,1203 4.08,1204 3.931,1205 3.972,1206 3.851,1207 3.859,1208 5.121,1209 3.852,1210 3.882,1211 3.907,1212 3.819,1213 3.821,1214 4.816,1215 3.817,1216 3.86,1217 3.884,1218 3.795,1219 3.789,1220 4.757,1221 3.786,1222 3.758,1223 3.817,1224 3.608,1225 3.64,1226 4.72,1227 3.622,1228 3.585,1229 3.658,1230 3.435,1231 3.409,1232 4.423,1233 3.404,1234 3.414,1235 3.456,1236 3.335,1237 3.295,1238 4.278,1239 3.301,1240 3.344,1241 3.4,1242 3.177,1243 3.164,1244 4.238,1245 3.155,1246 0.108,1247 0.083,1248 0.16,1249 0.099,1250 0.076,1251 4.735,1252 0.106,1253 3.657,1254 0.021,1255 7.044,1256 0.275,1257 4.338,1258 0.076,1259 3.331,1260 4.656,1261 0.916,1262 12.102,1263 3.352,1264 1.965,1265 1.95,1266 2.062,1267 2.032,1268 1.392,1269 2.041,1270 1.917,1271 1.885,1272 2.051,1273 2.023,1274 1.209,1275 2.036,1276 1.892,1277 1.876,1278 2.021,1279 1.999,1280 1.177,1281 1.999,1282 1.867,1283 1.842,1284 1.986,1285 1.951,1286 1.11,1287 1.966,1288 1.775,1289 1.715,1290 1.981,1291 1.922,1292 1.066,1293 1.948,1294 1.578,1295 1.51,1296 1.838,1297 1.786,1298 1.054,1299 1.807,1300 1.408,1301 1.396,1302 1.664,1303 1.609,1304 0.857,1305 1.626,1306 1.344,1307 1.27,1308 1.478,1309 1.533,1310 0.67,1311 1.516,1312 4.489,1314 5.771,1315 2.398,1316 7.251,1317 4.844,1318 8.822,1319 7.066,1320 10.448,1322 2.197,1328 8.75,1330 6.008,1333 2.397,1340 48.648,1341 98.921,1342 235.35,1343 322.755,1344 402.278,1345 435.788,1346 437.788,1347 72.038,1348 8.478,1349 42.68,1350 42.68,1351 29,1352 12.829,1353 4.907,1354 4,1355 64.725,1356 269,1357 282,1358 0.113,1359 296.927,1360 515.47,1361 716.262,1362 78044,1364 27.572,1365 0.689,1366 0.581,1367 27.572,1368 23.221,1369 19.687,1370 0.447,1371 0.324,1372 14.147,1373 19.262,1374 13.793,1375 11.515,1376 19.687,1377 14.258,1378 16.767,1379 0.289,1380 0.179,1381 16.767,1382 10.361,1383 14.049,1384 0.185,1385 0.095,1386 14.049,1387 7.223,1388 11.768,1389 0.118,1390 0.051,1391 11.768,1392 5.089,1393 9.633,1394 0.076,1395 0.027,1396 9.633,1397 3.485,1398 0.19,1399 121.119,1400 0.181,1401 37.428,1402 0.281,1403 204,1404 510.852,1405 215.603,1406 499.639,1407 695.72,1408 472,1409 236,1410 516.124,1411 248.963,1412 527.602,1413 771.62,1414 498,1415 4.39}
{0 CHEMBL511948,1 1.303,2 17.686,3 7.4,4 54.761,5 142.723,6 6.71,7 0.579,8 4.305,9 4.421,10 3.787,11 3.881,12 5.315,13 3.83,14 4.857,15 5.038,16 4.094,17 4.253,18 5.795,19 4.177,20 5.111,21 5.329,22 4.133,23 4.372,24 6.004,25 4.264,26 5.181,27 5.425,28 4.11,29 4.368,30 6.06,31 4.246,32 5.149,33 5.388,34 4.025,35 4.365,36 6.025,37 4.227,38 5.166,39 5.421,40 3.918,41 4.342,42 6.03,43 4.172,44 5.115,45 5.399,46 3.715,47 4.209,48 5.857,49 4.014,50 4.938,51 5.225,52 3.601,53 4.016,54 5.679,55 3.833,56 0.054,57 0.896,58 15.685,59 7.15,60 9.71,61 9.515,62 0.197,63 1.496,64 28.631,65 11.643,66 23.619,67 15.808,68 0.306,69 1.829,70 37.87,71 15.099,72 41.274,73 20.5,74 0.463,75 1.933,76 41.273,77 15.857,78 51.06,79 21.871,80 0.337,81 1.892,82 39.53,83 15.675,84 46.213,85 21.595,86 0.405,87 1.907,88 40.245,89 16.251,90 55.284,91 22.694,92 0.287,93 1.782,94 38.576,95 15.402,96 42.985,97 21.743,98 0.414,99 1.473,100 32.638,101 12.701,102 41.882,103 17.965,104 11,105 50,106 0.203,107 0.493,108 0.691,109 0.821,110 0.864,111 0.864,112 3.587,113 0.995,114 -6.23,115 -6.07,116 -5.64,121 44.3,122 1,123 5,126 1,127 3,144 13,145 4,146 1,154 2,159 1,176 19,180 11,187 20,192 11,200 15,205 1,206 11,214 13,219 7,227 19,231 1,232 6,239 21,244 1,251 15,255 2,256 4,264 12,269 3,277 10,281 2541,282 24.018,283 24.018,284 24.018,285 24.018,286 24.018,287 21.305,288 16.465,289 14.851,290 24.217,291 18.832,292 18.832,293 18.832,294 18.832,295 18.832,296 14.802,297 19.116,298 7.141,299 19.149,300 4.827,301 2.97,302 1.703,303 0.866,304 0.593,305 0.593,306 4.286,312 1,313 1342,314 4.301,317 93.51,318 396.49,321 179.581,325 2.816,326 22.91,329 0.75,330 0.5,331 0.83,332 0.8,333 0.5,334 0.83,335 0.5,336 0.67,337 73.5,338 619,339 4.712,340 3.634,341 6.983,342 4.302,343 3.297,344 4.644,345 1.277,346 11.871,347 3.311,348 4.072,349 3.026,350 5.994,351 3.648,352 2.665,353 3.704,354 0.916,355 8.448,356 2.625,357 3.927,358 2.943,359 5.533,360 3.597,361 2.625,362 3.455,363 0.86,364 7.392,365 2.559,366 3.76,367 2.872,368 5.484,369 3.355,370 2.37,371 3.199,372 0.172,373 7.045,374 2.358,375 3.565,376 2.504,377 5.301,378 3.214,379 2.216,380 2.866,382 6.627,383 2.169,384 3.294,385 2.367,386 4.819,387 3.117,388 2.165,389 2.364,391 5.518,392 2.055,393 3.032,394 1.9,395 4.475,396 2.81,397 1.822,398 2.284,400 4.224,401 1.796,402 2.932,403 1.739,404 4.221,405 2.543,406 1.553,407 2.071,409 3.7,410 1.537,411 2.88,412 1.619,413 3.859,414 2.46,415 1.465,416 1.975,418 3.478,419 1.457,420 2.796,421 1.53,422 3.613,423 2.436,424 1.415,425 1.83,427 3.076,428 1.439,429 2.66,430 1.469,431 3.601,432 2.329,433 1.351,434 1.707,436 2.896,437 1.316,438 2.5,439 1.227,440 3.468,441 2.161,442 1.164,443 1.5,445 2.765,446 1.158,447 2.5,448 1.023,449 3.414,450 2,451 1,452 1.5,454 2.275,455 1,456 2.406,457 1,458 3.247,459 2,460 1,461 1.4,463 2.136,464 1,465 1.967,466 1,467 3.19,468 1.792,469 0.834,470 0.875,472 1.781,473 0.793,474 16.9,475 0.483,476 0.644,477 0.018,478 43,479 1.229,480 22,481 0.629,482 21,483 0.6,484 32.043,485 0.916,486 37.7,487 0.539,488 31.751,489 0.907,490 8.385,491 0.24,492 8.73,493 0.249,494 0.079,496 0.26,501 0.761,502 1.22,503 0.881,504 1.125,505 0.619,506 1.031,507 1.087,508 1.047,509 0.98,510 1.024,511 0.666,512 0.986,513 1.221,514 1.049,515 1.003,516 1.024,517 1.058,518 0.996,519 1.125,520 0.944,521 0.937,522 0.922,523 0.773,524 0.91,525 1.127,526 1.004,527 1.052,528 1.008,529 0.962,530 1.019,531 0.799,532 1.028,533 1.04,534 1.059,535 1.15,536 1.072,537 0.781,538 0.99,539 0.966,540 1.014,541 0.907,542 1.01,543 0.71,544 0.855,545 0.872,546 0.892,547 0.439,548 0.898,549 5,550 0.131,551 2.667,552 2.104,553 1.851,554 0.837,555 0.457,556 0.352,557 0.205,558 0.121,559 23955,560 52046,561 2.092,562 50,563 6,564 22,568 3,569 4,572 1.755,573 2,574 4.015,575 -0.879,582 91.19,583 1.303,584 3.159,585 4.426,586 5.263,587 5.536,588 5.536,589 3.447,590 4.844,591 5.102,592 4.291,593 2552.97,594 8.887,595 46284.1,600 429.05,601 1.206,602 5.08,603 0.132,604 0.005,605 0.053,606 0.042,607 0.039,608 0.019,609 0.012,610 0.012,611 0.008,612 0.005,613 0.326,614 0.33,615 0.63,616 0.597,617 198.687,618 0.027,619 -0.095,620 0.061,621 -0.042,622 0.002,623 0.004,624 -0.047,625 0.039,626 0.003,627 -0.011,628 0.052,629 0.005,630 -0.054,631 -0.043,632 -0.004,633 -0.029,634 -0.016,635 -0.014,636 0.059,637 0.046,638 0.071,639 0.05,640 0.141,641 0.061,642 -0.084,643 -0.008,644 -0.062,645 -0.023,646 0.031,647 -0.037,648 0.06,649 -0.054,650 -0.067,651 -0.073,652 -0.005,653 -0.08,654 0.007,655 -0.045,656 0.006,657 -0.042,658 -0.053,659 -0.021,660 0.204,661 0.086,662 0.116,663 0.07,664 0.153,665 0.082,666 1.659,667 5.271,668 0.6,669 50.023,670 0.987,671 1.117,672 4.998,673 24.984,674 0.662,675 3.664,676 3.932,677 4.174,678 4.443,679 4.644,680 4.663,681 4.754,682 4.868,683 4.836,684 4.812,685 10.5,686 0.616,687 469.67,688 3.664,689 5.176,690 6.004,691 6.862,692 7.715,693 8.586,694 9.454,695 10.335,696 11.214,697 12.103,698 1.4,701 1,714 2,715 13,718 1,720 5,722 22,727 1,739 1,741 70,743 23,744 3,745 38,747 73,748 31,749 20,750 5,751 13,752 1,756 4,757 5,763 1,770 5,772 21,773 10,777 1,782 1,786 1,792 1,793 35,794 4,796 4,802 1,808 0.75,809 3,828 1,829 3,832 1,855 1,859 3,864 2,868 35,876 8,878 1,881 1,893 4.3,896 1,898 2,901 17.5,902 13.033,903 7.889,904 4.504,907 3.985,908 1.502,909 0.974,910 9.025,911 11.927,912 3.932,913 4.491,914 5.076,915 5.699,916 6.253,917 6.539,918 6.96,919 7.407,920 7.63,921 7.888,922 1,923 50,924 12.982,926 5.353,927 0.026,929 7.538,931 25.489,933 20.688,936 2.038,937 71.333,941 411.989,942 194.681,943 3.124,945 45.652,948 194.681,949 457.641,950 3.124,951 17.222,952 21.476,953 123.191,954 30.278,955 41.005,956 10.285,957 411.989,959 411.989,960 197.805,961 45.652,964 364.904,965 92.737,968 33.426,969 164.379,972 411.989,973 48.776,974 194.681,977 411.989,978 54.268,979 143.537,981 45.652,982 411.989,983 48.776,984 194.681,986 0.563,987 0.319,988 0.179,989 0.1,990 21,991 9,992 0.178,993 13,994 1,995 1.095,996 4.895,997 299.606,998 0.095,999 21,1000 171.525,1005 25.066,1006 12.602,1007 6.988,1008 1.592,1009 48.776,1010 26.145,1013 6.011,1015 4.366,1018 655.446,1019 50,1024 12.271,1028 0.008,1031 69.105,1032 78.185,1034 0.213,1035 0.515,1036 0.722,1037 0.859,1038 0.903,1039 0.903,1040 5.133,1041 1.553,1042 5.948,1043 4.224,1044 4.615,1045 5.179,1046 1.981,1047 6.713,1048 4.588,1049 6.307,1050 1.465,1051 7.468,1052 3.7,1053 4.007,1054 4.844,1055 0.325,1056 7.561,1057 3.977,1058 7.587,1059 1.415,1060 9.097,1061 3.478,1062 6.142,1063 7.36,1064 2.126,1065 10.709,1066 6.097,1067 8.91,1068 1.351,1069 10.798,1070 3.076,1071 6.431,1072 7.96,1073 0.393,1074 12.526,1075 6.396,1076 10.273,1077 1.164,1078 12.549,1079 2.896,1080 7.984,1081 9.904,1082 2.416,1083 15.195,1084 7.939,1085 11.668,1086 1,1087 14.338,1088 2.765,1089 8.726,1090 10.973,1091 0.384,1092 17.413,1093 8.699,1094 13.088,1095 1,1096 16.155,1097 2.275,1098 10.036,1099 12.671,1100 2.793,1101 19.94,1102 10.005,1103 3.297,1104 0.834,1105 17.995,1106 2.136,1107 11.008,1108 13.979,1109 0.351,1110 22.317,1111 10.996,1112 2.665,1113 11.871,1114 19.853,1115 1.781,1116 12.224,1117 15.572,1118 3.22,1119 24.804,1120 12.215,1121 2.625,1122 8.448,1123 21.725,1124 4.644,1125 13.309,1126 16.997,1127 0.312,1128 27.24,1129 13.315,1130 2.37,1131 7.392,1132 23.61,1133 3.704,1134 14.494,1135 18.549,1136 3.676,1137 29.716,1138 14.506,1139 2.216,1140 7.045,1141 25.505,1142 3.455,1143 15.632,1144 20.031,1145 0.273,1146 32.176,1147 15.657,1148 2.165,1149 6.627,1150 27.408,1151 3.199,1152 16.812,1153 21.568,1154 4.146,1155 34.649,1156 16.843,1157 1.822,1158 5.518,1159 29.318,1160 2.866,1161 17.976,1162 23.077,1163 0.236,1164 37.117,1165 18.017,1166 22557,1167 33555,1168 25.83,1169 46.313,1170 55.818,1171 56.144,1172 56.556,1173 55.387,1174 55.37,1175 72.695,1176 6.453,1177 150.002,1178 54.607,1179 5.675,1180 5.634,1181 6.874,1182 5.353,1183 5.297,1184 7.644,1185 2.555,1186 19.216,1187 5.311,1188 14.406,1189 1.469,1190 1.477,1191 1.488,1192 1.458,1193 1.457,1194 1.913,1195 0.17,1196 3.947,1197 1.437,1198 4.141,1199 4.143,1200 4.115,1201 4.055,1202 7.428,1203 4.067,1204 3.931,1205 3.971,1206 3.85,1207 3.858,1208 5.12,1209 3.851,1210 3.863,1211 3.886,1212 3.8,1213 3.79,1214 4.815,1215 3.789,1216 3.758,1217 3.817,1218 3.608,1219 3.64,1220 4.755,1221 3.622,1222 3.586,1223 3.658,1224 3.448,1225 3.413,1226 4.423,1227 3.411,1228 3.516,1229 3.549,1230 3.413,1231 3.376,1232 4.278,1233 3.377,1234 3.364,1235 3.44,1236 3.201,1237 3.17,1238 4.238,1239 3.164,1240 3.223,1241 3.258,1242 3.106,1243 3.03,1244 4.018,1245 3.041,1246 0.124,1247 0.096,1248 0.184,1249 0.113,1250 0.087,1251 4.712,1252 0.122,1253 3.634,1254 0.034,1255 6.983,1256 0.312,1257 4.302,1258 0.087,1259 3.297,1260 4.644,1261 1.277,1262 11.871,1263 3.311,1264 1.939,1265 1.923,1266 2.062,1267 2.024,1268 1.392,1269 2.039,1270 1.917,1271 1.885,1272 2.031,1273 2.007,1274 1.209,1275 2.015,1276 1.892,1277 1.876,1278 2.017,1279 1.997,1280 1.163,1281 1.998,1282 1.775,1283 1.715,1284 1.983,1285 1.926,1286 1.109,1287 1.954,1288 1.582,1289 1.528,1290 1.838,1291 1.79,1292 1.066,1293 1.809,1294 1.523,1295 1.485,1296 1.723,1297 1.713,1298 0.857,1299 1.712,1300 1.356,1301 1.277,1302 1.663,1303 1.589,1304 0.762,1305 1.618,1306 1.151,1307 1.114,1308 1.442,1309 1.388,1310 0.667,1311 1.391,1312 4.344,1314 5.624,1315 2.398,1316 7.094,1317 4.844,1318 8.658,1319 7.066,1320 10.277,1322 3.78,1328 8.826,1330 5.939,1333 2.396,1340 43.121,1341 91.19,1342 221.121,1343 309.851,1344 368.421,1345 387.54,1346 387.54,1347 63.92,1348 7.942,1349 42.68,1350 42.68,1351 23,1352 12.636,1353 4.585,1354 3.7,1355 60.443,1356 225,1357 212,1358 0.126,1359 265.141,1360 460.15,1361 638.704,1362 40254,1364 24.46,1365 0.699,1366 0.595,1367 24.46,1368 20.834,1369 17.114,1370 0.45,1371 0.332,1372 12.486,1373 16.677,1374 12.117,1375 10.139,1376 17.114,1377 12.598,1378 14.754,1379 0.295,1380 0.184,1381 14.754,1382 9.223,1383 11.818,1384 0.185,1385 0.099,1386 11.818,1387 6.312,1388 10.003,1389 0.119,1390 0.053,1391 10.003,1392 4.479,1393 8.063,1394 0.078,1395 0.029,1396 8.063,1397 3.024,1398 0.213,1399 105.684,1400 0.197,1401 33.851,1402 0.307,1403 176,1404 450.852,1405 187.603,1406 436.612,1407 603.27,1408 412,1409 202,1410 444.124,1411 214.298,1412 452.388,1413 658.72,1414 426,1415 4.759}
{0 CHEMBL512096,1 1.36,2 8.179,3 4.299,4 18.483,5 114.409,6 6.792,7 0.375,8 4.097,9 4.223,10 3.597,11 3.698,12 5.103,13 3.648,14 4.674,15 4.851,16 4.031,17 4.17,18 5.575,19 4.096,20 5.016,21 5.215,22 4.181,23 4.39,24 5.916,25 4.291,26 5.201,27 5.461,28 4.236,29 4.405,30 6.136,31 4.299,32 5.094,33 5.311,34 4.197,35 4.368,36 6.131,37 4.289,38 5.075,39 5.29,40 4.159,41 4.373,42 6.098,43 4.269,44 5.118,45 5.368,46 3.929,47 4.328,48 6.003,49 4.179,50 5.017,51 5.28,52 3.623,53 4.198,54 5.772,55 3.992,56 0.067,57 0.785,58 12.515,59 5.416,60 11.324,61 7.437,62 0.12,63 1.353,64 22.925,65 9.938,66 14.767,67 13.884,68 0.194,69 1.853,70 33.141,71 13.245,72 28.039,73 18.782,74 0.412,75 2.126,76 41.775,77 15.016,78 55.125,79 21.899,80 0.427,81 1.978,82 37.436,83 12.221,84 61.763,85 17.575,86 0.375,87 1.936,88 35.984,89 13.236,90 60.158,91 19.046,92 0.362,93 1.94,94 38.312,95 13.853,96 53.535,97 20.016,98 0.209,99 1.662,100 34.21,101 14.29,102 34.85,103 20.267,104 17,105 49,106 0.224,107 0.585,108 0.738,109 0.814,110 0.835,111 0.835,112 3.377,113 0.966,114 -5.21,115 -5.1,116 -4.78,121 43.6,122 2,123 6,124 1,125 1,138 1,140 1,144 5,145 3,146 1,148 1,149 1,158 1,165 1,166 1,167 1,176 17,179 1,180 6,185 4,187 24,189 2,192 5,197 4,200 16,203 2,206 10,208 2,209 3,211 9,214 17,216 4,219 7,224 5,227 17,229 3,232 8,235 1,236 1,237 7,238 1,239 22,241 4,244 2,249 4,251 22,253 2,261 4,264 21,266 2,274 1,277 12,281 1104,282 18.792,283 18.792,284 18.792,285 18.792,286 18.792,287 16.803,288 23.084,289 10.778,290 18.944,291 15.843,292 15.843,293 15.843,294 15.843,295 15.843,296 12.802,297 29.107,298 5.154,299 16.127,300 4.421,301 2.231,302 1.307,303 0.841,304 0.718,305 0.718,306 4.085,311 1,312 1,313 509,314 2.828,318 235.299,322 221.121,325 1.061,326 25.008,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 58.5,338 229,339 4.739,340 3.822,341 7.219,342 4.446,343 3.46,344 4.385,345 1.36,346 12.785,347 3.413,348 4.424,349 3.376,350 6.815,351 4.21,352 3.218,353 3.889,354 0.986,355 11.298,356 3.191,357 4.119,358 3.155,359 6.539,360 3.907,361 2.917,362 3.474,363 0.765,364 10.243,365 2.885,366 3.838,367 2.777,368 6.026,369 3.446,370 2.463,371 3.143,373 8.384,374 2.421,375 3.711,376 2.663,377 5.739,378 3.341,379 2.367,380 2.97,382 7.711,383 2.306,384 3.5,385 2.422,386 5.317,387 3.079,388 2.123,389 2.792,391 6.422,392 2.02,393 3.184,394 2.19,395 5.052,396 2.8,397 1.843,398 2.325,400 5.609,401 1.759,402 2.968,403 1.888,404 4.548,405 2.613,406 1.628,407 2.119,409 4.178,410 1.599,411 2.5,412 1.493,413 3.907,414 2.404,415 1.413,416 1.5,418 3.081,419 1.4,420 2.499,421 1.362,422 3.659,423 2.137,424 1.153,425 1.499,427 2.862,428 1.132,429 2.372,430 1.191,431 3.562,432 2,433 1,434 1.347,436 2.302,437 1,438 2.015,439 1,440 3.342,441 1.871,442 0.89,443 0.973,445 2.136,446 0.871,447 1.402,448 0.545,449 3.301,450 1.088,451 0.125,452 0.142,454 0.37,455 0.12,456 1.155,457 0.358,458 3.247,459 0.963,460 0.011,461 0.012,463 0.031,464 0.01,465 1.028,466 0.045,467 2.951,468 0.678,469 -0.298,470 -0.356,472 -0.845,473 -0.29,474 13.533,475 0.483,476 0.9,477 0.032,478 33.5,479 1.196,480 16,481 0.571,482 17.5,483 0.625,484 30.653,485 1.095,486 29.667,487 0.539,488 23.698,489 0.846,490 5.679,491 0.203,492 7.766,493 0.277,494 0.128,495 0.037,496 0.369,501 0.968,502 1.069,503 0.892,504 0.96,505 1.038,506 0.926,507 0.543,508 1.059,509 0.783,510 0.983,511 0.523,512 0.918,513 0.956,514 1.266,515 1.03,516 1.164,517 0.979,518 1.114,519 0.953,520 0.967,521 0.796,522 0.863,523 0.915,524 0.82,525 2.062,526 1.002,527 1.181,528 0.888,529 1.899,530 0.938,531 1.154,532 1.176,533 1.106,534 1.114,535 1.081,536 1.103,537 1.402,538 0.961,539 1.234,540 1.036,541 1.345,542 1.099,543 0.753,544 1.103,545 1.159,546 1.243,547 0.85,548 1.246,549 6,550 0.025,551 3.111,552 3.125,553 3,554 1.562,555 1.073,556 0.672,557 0.303,558 0.129,559 8322,560 16208,561 2.146,562 49.1,563 13,564 5,567 3,568 4,569 2,572 1.723,573 1.988,574 2.974,575 0.811,577 1,582 74.799,583 1.36,584 3.551,585 4.475,586 4.94,587 5.063,588 5.063,589 2.265,590 4.28,591 4.78,592 3.116,593 1178,594 8.379,595 14478.8,597 1,599 1,600 317.975,601 1.617,602 4.726,603 0.188,604 0.008,605 0.063,606 0.058,607 0.054,608 0.029,609 0.021,610 0.017,611 0.011,612 0.01,613 0.459,614 0.33,615 0.88,616 0.573,617 134.304,618 -0.083,619 0.081,620 0.043,621 0.107,622 -0.11,623 0.089,624 0.122,625 0.015,626 0.15,627 0.07,628 0.092,629 0.104,630 -0.029,631 -0.21,632 -0.071,633 -0.15,634 -0.099,635 -0.122,636 0.185,637 0.039,638 0.207,639 0.094,640 0.175,641 0.143,642 -0.309,643 0.099,644 -0.144,645 0.044,646 -0.214,647 -0.02,648 0.047,649 -0.112,650 -0.117,651 -0.139,652 0.109,653 -0.142,654 -0.236,655 0.061,656 -0.239,657 -0.077,658 -0.192,659 -0.141,660 -0.051,661 -0.187,662 -0.208,663 -0.227,664 -0.064,665 -0.233,666 1.431,667 5.064,668 0.857,669 20.245,670 0.986,671 1.122,672 3.983,673 15.861,674 0.666,675 3.497,676 3.912,677 4.248,678 4.654,679 4.997,680 5.215,681 5.429,682 5.684,683 5.835,684 5.892,685 5.089,686 0.62,687 373.54,688 3.497,689 5.094,690 5.989,691 6.932,692 7.85,693 8.802,694 9.731,695 10.686,696 11.621,697 12.577,698 5.5,702 1,707 1,708 1,715 5,716 1,720 6,722 12,733 1,741 55,743 14,744 1,745 32,747 59,748 24,749 11,750 1,751 5,752 3,756 5,757 11,763 2,764 1,766 1,767 6,768 1,770 6,772 14,773 10,774 1,777 2,785 1,786 3,790 1,793 27,794 4,795 3,796 4,802 3,808 0.4,809 1,822 1,829 5,833 3,839 1,849 1,850 1,857 1,859 2,864 2,868 28,869 1,875 1,876 6,880 1,882 1,893 1.8,895 1,901 14.083,902 10.433,903 5.833,904 3.569,907 3.02,908 1.363,909 0.993,910 4.046,911 11.334,912 3.714,913 4.357,914 4.945,915 5.59,916 6.198,917 6.604,918 7.069,919 7.551,920 7.944,921 8.191,922 0.667,923 54,924 10.455,926 4.681,927 0.026,929 7.521,931 20.643,933 18.456,936 2.021,937 56.583,939 1,940 1,941 282.506,942 103.579,943 66.468,945 42.683,948 103.579,949 325.19,950 66.468,951 17.65,952 15.207,953 80.278,954 62.226,955 35.041,956 2.328,957 282.506,959 282.506,960 170.048,961 42.683,964 258.964,965 66.226,968 52.4,969 100.862,970 16.786,972 282.506,973 109.152,974 103.579,977 282.506,978 38.548,979 65.032,981 109.152,982 282.506,983 109.152,984 103.579,986 0.6,987 0.353,988 0.213,989 0.126,990 28,991 12,992 0.017,993 1,994 3,995 1.25,996 3.704,997 281.567,998 0.25,999 24,1000 128.606,1005 17.789,1006 6.369,1007 2.87,1009 109.152,1010 10.362,1011 4.982,1015 6.03,1017 75.581,1018 495.237,1019 40,1027 4.966,1028 2.367,1031 54.236,1032 61.687,1034 0.235,1035 0.614,1036 0.774,1037 0.855,1038 0.876,1039 0.876,1040 5.024,1041 1.628,1042 6.038,1043 5.609,1044 4.595,1045 5.043,1046 1.93,1047 6.973,1048 4.559,1049 6.27,1050 1.413,1051 7.671,1052 4.178,1053 4.443,1054 4.997,1055 1.06,1056 8.202,1057 4.393,1058 7.625,1059 1.153,1060 9.41,1061 3.081,1062 6.34,1063 7.257,1064 2.004,1065 11.323,1066 6.278,1067 9.012,1068 1,1069 11.212,1070 2.862,1071 6.967,1072 7.968,1073 1.679,1074 13.321,1075 6.896,1076 10.429,1077 0.89,1078 13.051,1079 2.302,1080 8.404,1081 9.761,1082 2.278,1083 16.021,1084 8.322,1085 11.867,1086 0.125,1087 14.915,1088 2.136,1089 9.367,1090 10.832,1091 2.248,1092 18.322,1093 9.276,1094 13.322,1095 0.011,1096 16.796,1097 0.37,1098 10.645,1099 12.433,1100 2.696,1101 20.891,1102 10.543,1103 3.46,1104 -0.298,1105 18.691,1106 0.031,1107 11.751,1108 13.69,1109 2.825,1110 23.318,1111 11.639,1112 3.218,1113 12.785,1114 20.596,1115 -0.845,1116 12.977,1117 15.207,1118 3.201,1119 25.848,1120 12.854,1121 2.917,1122 11.298,1123 22.509,1124 4.385,1125 14.144,1126 16.562,1127 3.415,1128 28.329,1129 14.009,1130 2.463,1131 10.243,1132 24.428,1133 3.889,1134 15.357,1135 18.044,1136 3.757,1137 30.851,1138 15.21,1139 2.367,1140 8.384,1141 26.353,1142 3.474,1143 16.551,1144 19.451,1145 4.015,1146 33.358,1147 16.392,1148 2.123,1149 7.711,1150 28.284,1151 3.143,1152 17.763,1153 20.92,1154 4.341,1155 35.881,1156 17.592,1157 1.843,1158 6.422,1159 30.218,1160 2.97,1161 18.971,1162 22.354,1163 4.622,1164 38.401,1165 18.786,1166 7797,1167 11000,1168 21.383,1169 36.608,1170 50.041,1171 50.076,1172 50.794,1173 49.251,1174 49.222,1175 61.14,1176 6.221,1177 154.823,1178 48.254,1179 5.691,1180 5.822,1181 7.021,1182 5.502,1183 5.46,1184 7.385,1185 2.346,1186 20.496,1187 5.413,1188 12.96,1189 1.564,1190 1.565,1191 1.587,1192 1.539,1193 1.538,1194 1.911,1195 0.194,1196 4.838,1197 1.508,1198 4.112,1199 4.143,1200 4.072,1201 4.036,1202 6.466,1203 4.04,1204 3.886,1205 3.925,1206 3.81,1207 3.808,1208 5.122,1209 3.804,1210 3.839,1211 3.876,1212 3.754,1213 3.765,1214 4.806,1215 3.757,1216 3.574,1217 3.631,1218 3.449,1219 3.464,1220 4.713,1221 3.454,1222 3.323,1223 3.38,1224 3.199,1225 3.184,1226 4.423,1227 3.18,1228 3.184,1229 3.259,1230 3.085,1231 2.988,1232 4.18,1233 2.998,1234 3.06,1235 3.138,1236 2.896,1237 2.881,1238 3.91,1239 2.871,1240 2.971,1241 3.036,1242 2.824,1243 2.837,1244 3.793,1245 2.826,1246 0.148,1247 0.119,1248 0.226,1249 0.139,1250 0.108,1251 4.739,1252 0.137,1253 3.822,1254 0.043,1255 7.219,1256 0.4,1257 4.446,1258 0.107,1259 3.46,1260 4.385,1261 1.36,1262 12.785,1263 3.413,1264 2.056,1265 2.031,1266 2.147,1267 2.152,1268 1.454,1269 2.151,1270 1.889,1271 1.853,1272 2.054,1273 2.002,1274 1.39,1275 2.021,1276 1.85,1277 1.814,1278 2.005,1279 1.947,1280 1.196,1281 1.968,1282 1.574,1283 1.523,1284 1.755,1285 1.724,1286 0.924,1287 1.742,1288 1.306,1289 1.256,1290 1.525,1291 1.504,1292 0.751,1293 1.514,1294 1.148,1295 1.074,1296 1.451,1297 1.388,1298 0.675,1299 1.401,1300 1.057,1301 0.983,1302 1.417,1303 1.291,1304 0.582,1305 1.315,1306 0.981,1307 0.921,1308 1.345,1309 1.239,1310 0.486,1311 1.308,1312 4.174,1314 5.565,1316 7.166,1318 8.872,1320 10.637,1322 4.369,1326 6.76,1327 11.064,1328 5.789,1332 -0.098,1334 -0.009,1340 34.101,1341 74.799,1342 195.29,1343 246.1,1344 271.71,1345 278.465,1346 278.465,1347 48.924,1348 8.314,1349 71.5,1350 71.5,1351 30,1352 13.066,1353 3.907,1354 3.17,1355 37.137,1356 84,1357 82,1358 0.22,1359 204.98,1360 360.83,1361 491.91,1362 45510,1364 19.466,1365 0.695,1366 0.594,1367 19.466,1368 16.626,1369 13.444,1370 0.42,1371 0.322,1372 10.25,1373 13.223,1374 9.901,1375 8.2,1376 13.444,1377 10.305,1378 13.239,1379 0.27,1380 0.187,1381 13.239,1382 9.175,1383 10.979,1384 0.159,1385 0.093,1386 10.979,1387 6.401,1388 10.529,1389 0.101,1390 0.05,1391 10.529,1392 5.154,1393 8.91,1394 0.061,1395 0.027,1396 8.91,1397 3.914,1398 0.324,1399 82.348,1400 0.216,1401 25.479,1402 0.681,1403 162,1404 340.752,1405 169.294,1406 345.11,1407 491.93,1408 324,1409 199,1410 381.509,1411 206.822,1412 393.91,1413 587.19,1414 372,1415 6.149}
{0 CHEMBL512569,1 1.814,2 6.278,3 0.984,4 0.967,5 66.384,6 8.811,7 0.3,8 3.54,9 3.616,10 3.463,11 3.165,12 4.6,13 3.122,14 4.128,15 4.259,16 3.788,17 3.589,18 5.492,19 3.528,20 4.376,21 4.548,22 3.906,23 3.71,24 5.545,25 3.637,26 4.41,27 4.56,28 3.816,29 3.61,30 5.968,31 3.552,32 4.289,33 4.438,34 3.454,35 3.359,36 5.763,37 3.336,38 3.908,39 4.059,40 2.946,41 3.035,42 5.381,43 2.979,44 3.611,45 3.876,46 2.242,47 2.806,48 4.304,49 2.595,50 3.502,51 3.864,52 1.579,53 2.311,54 4.094,55 2.026,56 0.088,57 0.473,58 7.15,59 3.151,60 17.841,61 3.241,62 0.358,63 0.785,64 11.348,65 5.381,66 46.783,67 6.062,68 0.307,69 0.947,70 20.033,71 7.697,72 53.384,73 8.337,74 0.641,75 0.922,76 24.134,77 7.842,78 117.311,79 7.426,80 0.644,81 0.735,82 20.86,83 6.059,84 112.377,85 5.255,86 0.468,87 0.505,88 9.701,89 3.66,90 79.83,91 3.881,92 0.105,93 0.411,94 8.042,95 3.504,96 12.846,97 5.033,98 0.177,99 0.347,100 10.182,101 2.853,102 22.571,103 4.426,104 10,105 30,106 0.343,107 0.664,108 0.752,109 0.79,110 0.815,111 0.815,112 2.964,113 1.092,114 -1.79,115 -1.85,116 -1.87,121 40,123 4,138 1,140 1,144 2,146 1,147 2,160 1,176 4,179 4,180 6,187 5,192 7,200 2,205 3,206 14,214 2,219 3,227 4,231 3,232 1,239 4,244 2,256 2,281 328,282 12.015,283 12.015,284 12.015,285 12.015,286 12.015,287 10.672,288 13.841,289 6.999,290 12.259,291 9.862,292 9.862,293 9.862,294 9.862,295 9.862,296 7.684,297 17.196,298 3.288,299 10.254,300 3.093,301 1.4,302 0.933,303 0.733,304 0.6,305 0.6,306 3.634,311 1,312 1,313 244,314 2.345,317 31.439,318 87.586,321 62.04,325 0.895,326 33.576,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 40,338 113,339 5.068,340 4.829,341 7.887,342 4.622,343 3.685,344 4.849,345 1.416,346 14.738,347 3.437,348 3.945,349 3.548,350 6.242,351 3.546,352 2.578,353 3.472,354 1.058,355 8.81,356 2.52,357 3.922,358 2.802,359 6.096,360 3.453,361 2.464,362 3.295,364 8.394,365 2.387,366 3.298,367 2.313,368 5.064,369 2.918,370 1.931,371 2.467,373 5.403,374 1.897,375 2.824,376 1.696,377 3.892,378 2.411,379 1.453,380 1.915,382 3.149,383 1.386,384 2.5,385 1.506,386 3.768,387 2.173,388 1.197,389 1.5,391 2.813,392 1.163,393 2.429,394 1.313,395 3.553,396 2.006,397 1,398 1.382,400 2.502,401 1.001,402 2.134,403 1,404 3.248,405 1.984,406 1,407 1.081,409 2.136,410 0.983,411 1.567,412 0.79,413 3.247,414 1.077,415 0.062,416 0.085,418 0.169,419 0.063,420 1,421 0.149,422 2.783,423 0.437,424 -0.559,425 -0.617,427 -1.384,428 -0.538,429 0.648,430 -0.37,431 2.36,432 0.119,433 -0.863,434 -0.986,436 -1.979,437 -0.843,438 0.595,439 -0.702,440 2.145,441 0.11,442 -0.889,443 -1.235,445 -2.151,446 -0.892,447 0.5,448 -0.928,449 2,451 -1,452 -1.5,454 -2.347,455 -0.946,456 0.305,457 -1,458 2,459 -0.049,460 -1,461 -1.829,463 -3,464 -1,465 -0.254,466 -1,467 1.555,468 -0.489,469 -1.511,470 -2,472 -4.553,473 -1.454,474 8.633,475 0.48,476 0.551,477 0.031,478 24.25,479 1.347,480 12.5,481 0.694,482 11.75,483 0.653,484 12.662,485 0.703,486 19.567,487 0.652,488 16.045,489 0.891,490 4.282,491 0.238,492 4.339,493 0.241,494 0.116,495 0.097,496 0.278,501 0.437,502 1.417,503 0.771,504 1.306,505 0.564,506 0.948,507 0.466,508 1.063,509 0.732,510 0.889,511 0.504,512 0.92,513 0.804,514 1.105,515 0.901,516 1.11,517 0.805,518 0.92,519 1.294,520 1.013,521 1.415,522 1.256,523 1.212,524 1.014,525 2.197,526 0.86,527 1.462,528 1.001,529 2.23,530 0.969,531 1.586,532 0.875,533 1.032,534 0.77,535 1.771,536 1.208,537 0.125,538 1.186,539 0.693,540 1.067,541 0.099,542 1.401,543 0.298,544 0.786,545 0.568,546 0.644,547 0.139,548 0.906,549 3.5,551 2.889,552 3.146,553 1.201,554 0.573,555 0.166,556 0.043,557 0.01,559 2403,560 7552,561 2.073,562 40,563 6,564 2,566 2,569 2,572 1.596,573 1.912,574 2.654,575 -0.654,577 1,579 1,582 54.413,583 1.814,584 3.507,585 3.974,586 4.174,587 4.307,588 4.307,589 2.105,590 3.684,591 4.143,592 2.732,593 417.999,594 7.078,595 3772.42,597 1,600 147.207,601 1.676,602 4.078,603 0.175,605 0.096,606 0.098,607 0.041,608 0.027,609 0.013,610 0.007,611 0.005,613 0.463,614 0.67,615 1,616 0.662,617 73.127,618 0.11,619 -0.252,620 0.253,621 -0.142,622 -0.072,623 0.004,624 0.288,625 0.018,626 0.121,627 0.071,628 0.189,630 0.008,631 -0.105,632 0.158,633 -0.044,634 -0.011,635 0.083,636 -0.026,637 -0.004,638 -0.188,639 -0.123,640 0.125,641 -0.067,642 -0.568,643 0.05,644 -0.399,645 -0.017,646 -0.424,647 -0.082,648 -0.224,649 0.006,650 -0.393,651 -0.051,652 -0.298,653 -0.365,654 0.18,655 -0.355,656 -0.019,657 -0.275,658 0.09,659 -0.313,660 0.166,661 0.03,662 0.3,663 0.122,664 0.121,665 0.223,666 4.571,667 5.365,668 0.833,669 8.975,670 1.023,671 1.121,672 0.561,673 0.315,674 0.694,675 3.045,676 3.434,677 3.784,678 4.127,679 4.304,680 4.263,681 4.357,682 4.344,683 4.159,684 3.912,685 3.883,686 0.667,687 264.33,688 3.045,689 4.615,690 5.509,691 6.444,692 7.363,693 8.308,694 9.237,695 10.186,696 11.121,697 12.07,698 6.7,705 1,708 1,715 4,716 1,720 1,722 6,741 30,743 10,745 20,747 32,748 12,749 5,752 3,756 3,757 4,767 4,770 4,772 8,773 4,777 4,780 1,782 3,786 3,789 1,790 1,793 12,794 5,796 6,797 1,802 2,808 0.667,809 3,822 1,828 1,829 2,832 1,849 1,850 1,859 2,862 1,868 18,872 1,876 4,881 1,893 10,896 3,901 9.417,902 5.4,903 3.861,904 1.919,907 1.555,908 1.238,909 1.015,910 2.578,911 8.078,912 3.332,913 3.961,914 4.486,915 5.038,916 5.435,917 5.405,918 5.739,919 5.973,920 5.976,921 6.027,922 1,923 32,924 6.968,926 3.399,927 0.026,929 8.144,931 12.656,933 11.102,936 2.644,937 47.583,938 0.001,941 141.253,942 65.191,943 18.304,945 69.458,947 5.807,948 59.383,949 210.711,950 18.304,952 11.657,953 24.76,954 116.041,955 24.037,957 117.711,959 141.253,960 77.687,961 69.458,962 5.807,964 117.711,965 93,968 29.752,969 29.599,970 24.144,972 141.253,973 87.762,974 65.191,976 5.807,977 141.253,978 22.336,979 38.566,981 86.243,982 141.253,983 87.762,984 65.191,986 0.595,987 0.369,988 0.218,989 0.117,990 17,991 7,992 0.031,993 1,994 1,995 1.133,996 2.904,997 140.365,998 0.133,999 15,1000 69.059,1004 1,1005 11.576,1006 4.009,1007 1.646,1009 87.762,1010 6.034,1011 3.834,1015 0.365,1018 294.206,1019 27,1022 -3.655,1024 36.954,1028 0.393,1031 30.68,1032 33.621,1034 0.37,1035 0.715,1036 0.81,1037 0.851,1038 0.878,1039 0.878,1040 4.61,1041 1,1042 5.565,1043 2.502,1044 4.111,1045 4.644,1046 1.981,1047 6.541,1048 4.032,1049 5.87,1050 0.062,1051 7.235,1052 2.136,1053 4.007,1054 4.856,1056 7.999,1057 3.84,1058 7.262,1059 -0.559,1060 9.036,1061 0.169,1062 5.9,1063 7.004,1064 2.447,1065 11.176,1066 5.702,1067 8.705,1068 -0.863,1069 10.916,1070 -1.384,1071 6.661,1072 8.054,1074 13.467,1075 6.355,1076 10.193,1077 -0.889,1078 12.847,1079 -1.979,1080 8.118,1081 9.786,1082 2.993,1083 16.282,1084 7.769,1085 11.712,1086 -1,1087 14.811,1088 -2.151,1089 9.224,1090 11.158,1092 18.845,1093 8.772,1094 13.255,1095 -1,1096 16.799,1097 -2.347,1098 10.558,1099 12.774,1100 3.598,1101 21.569,1102 10.047,1103 3.685,1104 -1.511,1105 18.805,1106 -3,1107 11.791,1108 14.27,1110 24.22,1111 11.191,1112 2.578,1113 14.738,1114 20.823,1115 -4.553,1116 13.096,1117 15.855,1118 4.241,1119 26.919,1120 12.428,1121 2.464,1122 8.81,1123 22.851,1124 4.849,1125 14.373,1126 17.399,1128 29.597,1129 13.626,1130 1.931,1131 8.394,1132 24.888,1133 3.472,1134 15.674,1135 18.977,1136 4.907,1137 32.29,1138 14.856,1139 1.453,1140 5.403,1141 26.93,1142 3.295,1143 16.968,1144 20.541,1146 34.976,1147 16.074,1148 1.197,1149 3.149,1150 28.978,1151 2.467,1152 18.269,1153 22.118,1154 5.587,1155 37.668,1156 17.305,1157 1,1158 2.813,1159 31.029,1160 1.915,1161 19.569,1162 23.69,1164 40.357,1165 18.532,1166 2392,1167 4370,1168 13.118,1169 20.83,1170 31.075,1171 32.834,1172 31.993,1173 30.828,1174 30.742,1175 40.09,1176 4.949,1177 96.229,1178 29.673,1179 6.022,1180 6.829,1181 7.689,1182 5.667,1183 5.685,1184 7.849,1185 2.833,1186 23.259,1187 5.437,1188 7.795,1189 1.554,1190 1.642,1191 1.6,1192 1.541,1193 1.537,1194 2.005,1195 0.247,1196 4.811,1197 1.484,1198 4.152,1199 4.135,1200 4.765,1201 4.12,1202 7.717,1203 4.04,1204 3.805,1205 3.849,1206 3.762,1207 3.7,1208 7.426,1209 3.702,1210 3.58,1211 3.594,1212 3.616,1213 3.474,1214 6.999,1215 3.406,1216 3.18,1217 3.198,1218 3.174,1219 2.992,1220 4.896,1221 2.988,1222 2.92,1223 2.948,1224 2.724,1225 2.735,1226 4.306,1227 2.715,1228 2.854,1229 2.925,1230 2.687,1231 2.712,1232 3.858,1233 2.685,1234 2.752,1235 2.827,1236 2.656,1237 2.542,1238 3.674,1239 2.566,1240 2.517,1241 2.578,1242 2.391,1243 2.244,1244 3.484,1245 2.27,1246 0.253,1247 0.241,1248 0.394,1249 0.231,1250 0.184,1251 5.068,1252 0.242,1253 4.829,1254 0.071,1255 7.887,1256 0.737,1257 4.622,1258 0.172,1259 3.685,1260 4.849,1261 1.416,1262 14.738,1263 3.437,1264 1.903,1265 1.902,1266 2.04,1267 1.997,1268 1.419,1269 2.036,1270 1.834,1271 1.798,1272 1.923,1273 1.976,1274 1.005,1275 1.972,1276 1.458,1277 1.49,1278 1.451,1279 1.624,1280 0.782,1281 1.661,1282 1.199,1283 1.167,1284 1.324,1285 1.398,1286 0.689,1287 1.396,1288 1.002,1289 0.918,1290 1.181,1291 1.249,1292 0.365,1293 1.286,1294 0.886,1295 0.821,1296 1.079,1297 1.062,1298 0.218,1299 1.107,1300 0.562,1301 0.504,1302 0.747,1303 0.828,1305 0.843,1306 0.396,1307 0.339,1308 0.673,1309 0.754,1311 0.754,1312 3.714,1314 5.081,1315 2.398,1316 6.673,1317 5.043,1318 8.364,1319 7.38,1320 10.107,1328 2.75,1333 0.907,1340 20.008,1341 54.413,1342 105.207,1343 119.207,1344 125.207,1345 129.207,1346 129.207,1347 39.835,1348 6.524,1349 67.34,1350 75.72,1351 17,1352 12.562,1353 3.459,1354 3,1355 25.438,1356 41,1357 42,1358 0.324,1359 125.77,1360 221.86,1361 298.638,1362 4658,1364 12.751,1365 0.708,1366 0.582,1367 13.001,1368 10.482,1369 8.621,1370 0.431,1371 0.364,1372 5.885,1373 7.548,1374 5.675,1375 4.659,1376 9.41,1377 7.279,1378 8.159,1379 0.272,1380 0.207,1381 9.422,1382 6.197,1383 7.034,1384 0.164,1385 0.122,1386 8.37,1387 5.239,1388 6.434,1389 0.105,1390 0.071,1391 7.975,1392 4.317,1393 4.976,1394 0.068,1395 0.043,1396 6.209,1397 3.12,1398 0.466,1399 62.168,1400 0.276,1401 17.318,1402 1.033,1403 100,1404 335.357,1405 150.878,1406 339.096,1407 455.61,1408 310,1409 123,1410 305.191,1411 187.397,1412 343.001,1413 510.6,1414 322,1415 4}
{0 CHEMBL512758,1 2.259,2 5.85,3 1.96,4 3.841,5 61.956,6 11.933,7 0.286,8 3.454,9 3.501,10 3.548,11 2.98,12 4.899,13 3.03,14 4.002,15 4.102,16 3.948,17 3.34,18 5.791,19 3.416,20 4.179,21 4.233,22 4.165,23 3.435,24 6.209,25 3.557,26 4.341,27 4.43,28 4.109,29 3.369,30 6.385,31 3.492,32 4.276,33 4.387,34 4.068,35 3.116,36 6.612,37 3.328,38 3.839,39 3.919,40 3.646,41 2.714,42 6.329,43 2.957,44 3.608,45 3.843,46 2.507,47 2.256,48 5.263,49 2.333,50 3.178,51 3.49,52 1.159,53 1.356,54 4.745,55 1.445,56 0.423,57 0.72,58 1.494,59 2.783,60 93.916,61 1.605,62 0.848,63 1.126,64 5.571,65 4.399,66 176.691,67 3.406,68 1.12,69 1.471,70 6.38,71 5.61,72 247.043,73 2.968,74 1.499,75 1.456,76 11.536,77 6.361,78 353.536,79 3.012,80 1.877,81 1.318,82 14.44,83 5.526,84 410.536,85 3.654,86 1.065,87 0.84,88 1.474,89 3.059,90 210.994,91 2.003,92 1.077,93 0.512,94 6.51,95 2.992,96 187.312,97 2.089,98 0.745,99 0.165,100 7.366,101 1.452,102 127.686,103 0.55,104 82,105 34,106 0.444,107 0.686,108 0.731,109 0.776,110 0.776,111 0.776,112 3.061,113 0.931,114 -2.6,115 -2.62,116 -2.55,121 38.5,122 2,138 1,140 1,146 3,149 2,160 1,176 1,179 4,180 2,187 1,192 7,200 1,205 3,206 3,231 3,232 1,244 2,281 430,282 12.154,283 12.154,284 12.154,285 12.154,286 12.154,287 10.494,288 12.479,289 6.401,290 12.61,291 10.169,292 10.169,293 10.169,294 10.169,295 10.169,296 7.663,297 14.234,298 2.917,299 11.011,300 2.442,301 1.212,302 0.981,303 0.75,304 0.75,305 0.75,306 3.691,311 1,312 1,313 233,314 2.739,317 52.365,318 62.952,325 0.71,326 71.264,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 50,338 117,339 5.068,340 4.815,341 7.879,342 4.625,343 3.688,344 4.852,345 1.416,346 14.661,347 3.436,348 4.491,349 3.658,350 6.793,351 4.016,352 3.095,353 4.224,354 1.058,355 10.835,356 2.831,357 3.868,358 3.448,359 5.972,360 3.391,361 2.387,362 3.236,364 7.853,365 2.38,366 3.637,367 3.006,368 5.83,369 3.189,370 2.303,371 3,373 7.155,374 2.01,375 3.508,376 2.629,377 5.686,378 3.086,379 2.175,380 2.767,382 7.063,383 1.965,384 3.055,385 2.224,386 5.042,387 2.563,388 1.619,389 2.143,391 5.011,392 1.507,393 1.836,394 1.86,395 3.668,396 1.432,397 0.618,398 0.686,400 1.416,401 0.468,402 1.781,403 1.62,404 3.338,405 1.393,406 0.496,407 0.592,409 1.34,410 0.455,411 1.498,412 1.053,413 3.335,414 1.255,415 0.245,416 0.284,418 0.55,419 0.241,420 1,421 0.325,422 3.019,423 0.466,424 -0.469,425 -0.598,427 -1.253,428 -0.41,429 0.913,430 0.238,431 2.328,432 0.183,433 -0.595,434 -0.676,436 -1.429,437 -0.477,438 0.547,439 -0.058,440 2.184,442 -1,443 -1.498,445 -3,446 -1,448 -0.496,449 2,450 -0.259,451 -1.276,452 -1.5,454 -3.18,455 -1.026,456 -0.072,457 -0.692,458 1.729,459 -0.404,460 -1.303,461 -1.687,463 -3.219,464 -1.187,465 -0.137,466 -1,467 1.637,468 -0.504,469 -1.383,470 -1.754,472 -4.119,473 -1.241,474 8.776,475 0.439,476 0.984,477 0.049,478 25.75,479 1.288,480 12.5,481 0.625,482 13.25,483 0.663,484 15.225,485 0.761,486 23.624,487 0.909,488 22.673,489 1.134,490 5.256,491 0.263,492 3.846,493 0.192,494 0.358,495 0.095,496 0.501,499 2,500 2,501 0.606,502 1.034,503 0.738,504 1.359,505 0.659,506 0.964,507 0.6,508 0.811,509 0.544,510 0.75,511 0.649,512 0.57,513 0.805,514 0.925,515 1.052,516 1.368,517 0.886,518 1.031,519 0.983,520 0.809,521 1.285,522 1.206,523 1.061,524 1.163,525 0.893,526 0.931,527 0.625,528 0.825,529 0.985,530 0.705,531 0.753,532 1.405,533 0.496,534 0.989,535 0.681,536 1.203,537 1.858,538 1.415,539 1.673,540 0.89,541 1.597,542 1.629,543 2.616,544 1.029,545 2.466,546 0.088,547 2.204,548 0.987,549 6,551 4.444,552 3.646,553 2.006,554 1.181,555 0.492,556 0.056,559 2578,560 15759,561 1.819,562 23.1,563 3,569 3,572 1.631,573 1.569,574 2.586,575 -0.492,579 1,582 58.727,583 2.259,584 3.489,585 3.719,586 3.95,587 3.95,588 3.95,589 1.815,590 3.446,591 4.3,592 2.672,593 507.658,594 7.411,595 5076.33,597 1,599 1,600 122.211,601 1.469,602 4.135,603 0.286,605 0.131,606 0.091,607 0.059,608 0.037,609 0.021,610 0.009,613 0.634,614 0.5,615 1,616 0.734,617 84.222,618 -0.004,619 -0.137,620 0.143,621 -0.18,622 -0.05,623 -0.053,624 0.115,625 -0.002,626 0.325,627 0.213,628 0.075,629 0.394,630 0.04,631 0.097,632 -0.15,633 -0.235,634 -0.004,635 -0.215,636 -0.088,637 0.016,638 -0.23,639 -0.165,640 -0.098,641 -0.224,642 0.213,643 -0.04,644 0.428,645 0.08,646 0.149,647 0.34,648 0.357,649 -0.324,650 0.104,651 -0.272,652 0.402,653 -0.451,654 -0.604,655 -0.204,656 -0.587,657 -0.084,658 -0.489,659 -0.423,660 -1.178,661 0.248,662 -1.112,663 0.66,664 -0.925,665 0.254,666 5.49,667 5.544,668 0.55,669 10,670 1.11,671 1.176,672 1.365,673 1.864,674 0.685,675 3.091,676 3.555,677 3.892,678 4.143,679 4.331,680 4.248,681 4.111,682 4.111,683 3.85,684 3.434,685 3.962,686 0.731,687 310.25,688 3.091,689 4.71,690 5.617,691 6.564,692 7.495,693 8.443,694 9.38,695 10.328,696 11.269,697 12.217,698 7.7,705 1,708 1,716 1,720 5,722 6,740 4,741 26,743 10,745 21,747 27,748 10,749 5,752 3,756 2,757 2,763 2,772 8,773 2,777 4,780 1,782 3,786 3,790 1,791 4,793 6,794 9,796 10,797 1,802 2,808 1,809 3,822 1,828 1,829 1,849 1,850 1,859 2,862 1,864 2,866 4,868 20,872 1,881 1,892 4,893 11.5,896 3,901 12.75,902 5.638,903 4.222,904 1.39,907 1.777,908 1.281,909 0.973,910 3.199,911 8.091,912 3.367,913 4.103,914 4.642,915 5.148,916 5.603,917 5.709,918 5.788,919 6.163,920 6.195,921 6.031,922 0.75,923 40,924 8.297,926 4.74,927 0.026,929 9.313,931 12.488,933 10.411,936 3.813,937 76.25,941 70.627,942 71.282,943 18.304,945 69.458,946 59.84,947 5.807,948 65.475,949 140.084,950 78.145,951 17.65,952 1.519,953 5.807,954 92.499,955 54.105,956 47.305,957 70.627,959 70.627,960 83.779,961 129.298,962 5.807,964 65.234,965 104.771,966 29.92,968 19.169,969 46.273,970 24.144,972 130.467,973 87.762,974 71.282,976 5.807,977 70.627,978 47.824,979 19.169,981 146.084,982 70.627,983 147.602,984 71.282,986 0.631,987 0.404,988 0.201,989 0.108,990 18,991 11,992 0.037,993 1,995 1,996 2.778,997 160.77,999 11,1000 76.439,1004 1,1005 14.639,1006 4.371,1007 1.878,1009 147.602,1011 2.286,1015 -9.879,1018 289.511,1019 28,1022 -4.573,1024 35.528,1028 -2.05,1031 28.847,1032 30.564,1034 0.481,1035 0.742,1036 0.791,1037 0.84,1038 0.84,1039 0.84,1040 4.696,1041 0.496,1042 5.74,1043 1.416,1044 4.234,1045 4.787,1046 1.981,1047 6.746,1048 4.083,1049 6.029,1050 0.245,1051 7.456,1052 1.34,1053 4.369,1054 5.207,1056 8.189,1057 4.135,1058 7.458,1059 -0.469,1060 9.279,1061 0.55,1062 6.089,1063 7.231,1064 2.447,1065 11.35,1066 5.798,1067 8.925,1068 -0.595,1069 11.161,1070 -1.253,1071 6.948,1072 8.355,1074 13.569,1075 6.57,1076 10.422,1077 -1,1078 13.079,1079 -1.429,1080 8.316,1081 10.028,1082 2.993,1083 16.376,1084 7.88,1085 11.94,1086 -1.276,1087 15.024,1088 -3,1089 9.444,1090 11.415,1092 18.891,1093 8.926,1094 13.476,1095 -1.303,1096 16.99,1097 -3.18,1098 10.733,1099 12.998,1100 3.598,1101 21.602,1102 10.152,1103 3.688,1104 -1.383,1105 18.974,1106 -3.219,1107 11.96,1108 14.487,1110 24.224,1111 11.302,1112 3.095,1113 14.661,1114 20.971,1115 -4.119,1116 13.24,1117 16.049,1118 4.241,1119 26.91,1120 12.514,1121 2.387,1122 10.835,1123 22.98,1124 4.852,1125 14.505,1126 17.579,1128 29.57,1129 13.707,1130 2.303,1131 7.853,1132 24.999,1133 4.224,1134 15.788,1135 19.139,1136 4.907,1137 32.252,1138 14.922,1139 2.175,1140 7.155,1141 27.025,1142 3.236,1143 17.07,1144 20.688,1146 34.926,1147 16.133,1148 1.619,1149 7.063,1150 29.059,1151 3,1152 18.359,1153 22.25,1154 5.587,1155 37.608,1156 17.353,1157 0.618,1158 5.011,1159 31.097,1160 2.767,1161 19.65,1162 23.81,1164 40.289,1165 18.573,1166 2809,1167 7061,1168 11.967,1169 17.818,1170 33.485,1171 37.013,1172 36.798,1173 33.355,1174 33.253,1175 43.566,1176 4.949,1177 111.769,1178 30.585,1179 5.9,1180 6.815,1181 6.879,1182 5.68,1183 5.688,1184 7.852,1185 2.833,1186 23.232,1187 5.377,1188 15.047,1189 1.595,1190 1.763,1191 1.752,1192 1.588,1193 1.583,1194 2.075,1195 0.236,1196 5.322,1197 1.456,1198 4.133,1199 4.111,1200 4.763,1201 4.093,1202 8.255,1203 4.009,1204 3.83,1205 3.847,1206 3.89,1207 3.679,1208 8.225,1209 3.701,1210 3.322,1211 3.325,1212 3.421,1213 3.188,1214 8.167,1215 3.122,1216 3.106,1217 3.19,1218 3.047,1219 2.861,1220 8.156,1221 2.862,1222 3.002,1223 3.034,1224 2.984,1225 2.724,1226 7.716,1227 2.787,1228 2.909,1229 2.937,1230 2.733,1231 2.614,1232 7.426,1233 2.625,1234 2.696,1235 2.737,1236 2.626,1237 2.371,1238 6.999,1239 2.432,1240 1.997,1241 2.072,1242 2.1,1243 1.673,1244 4.401,1245 1.677,1246 0.241,1247 0.229,1248 0.375,1249 0.22,1250 0.176,1251 5.068,1252 0.231,1253 4.815,1254 0.067,1255 7.879,1256 0.698,1257 4.625,1258 0.164,1259 3.688,1260 4.852,1261 1.416,1262 14.661,1263 3.436,1264 1.824,1265 1.841,1266 1.85,1267 1.988,1268 1.096,1269 1.962,1270 1.74,1271 1.729,1272 1.765,1273 1.845,1274 0.909,1275 1.873,1276 1.397,1277 1.407,1278 1.537,1279 1.617,1280 0.624,1281 1.613,1282 1.038,1283 0.937,1284 1.059,1285 1.322,1286 0.376,1287 1.376,1288 0.769,1289 0.751,1290 0.816,1291 1.096,1293 1.077,1294 0.768,1295 0.73,1296 0.744,1297 1.086,1299 0.972,1300 0.462,1301 0.428,1302 0.41,1303 0.813,1305 0.704,1309 0.185,1311 0.022,1312 3.761,1314 5.187,1315 2.398,1316 6.81,1317 5.043,1318 8.521,1319 7.345,1320 10.28,1322 2.144,1324 53.103,1333 -0.309,1340 19.015,1341 58.727,1342 90.702,1343 96.702,1344 102.702,1345 102.702,1346 102.702,1347 84.66,1348 6.314,1349 67.34,1350 75.72,1351 11,1352 12.708,1353 3.459,1354 3,1355 35.854,1356 47,1357 38,1358 0.404,1359 118.771,1360 223.9,1361 281.561,1362 3176,1363 15.4,1364 15.403,1365 0.77,1366 0.543,1367 12.172,1368 10.856,1369 9.102,1370 0.433,1371 0.31,1372 5.022,1373 7.596,1374 4.798,1375 3.931,1376 8.248,1377 6.515,1378 9.34,1379 0.275,1380 0.172,1381 8.557,1382 5.853,1383 8.385,1384 0.175,1385 0.099,1386 7.772,1387 4.747,1388 6.195,1389 0.1,1390 0.05,1391 6.339,1392 3.123,1393 4.799,1394 0.064,1395 0.025,1396 4.408,1397 1.909,1398 0.577,1399 68.426,1400 0.289,1401 18.704,1402 1.313,1403 110,1404 697.802,1405 177.255,1406 574.542,1407 722.83,1408 520,1409 137,1410 467.229,1411 216.924,1412 480.1,1413 719.47,1414 446,1415 4}
{0 CHEMBL512830,1 1.351,2 11,3 2.563,4 6.568,5 139.023,6 6.634,8 4.444,9 4.555,10 3.889,11 3.958,12 5.473,13 3.915,14 5.097,15 5.274,16 4.394,17 4.471,18 6.067,19 4.414,20 5.494,21 5.656,22 4.688,23 4.83,24 6.529,25 4.759,26 5.839,27 6.046,28 4.807,29 5.032,30 6.834,31 4.928,32 5.988,33 6.227,34 4.864,35 5.037,36 7.126,37 4.93,38 5.928,39 6.15,40 4.709,41 4.924,42 7.105,43 4.824,44 5.793,45 6.022,46 4.58,47 4.819,48 6.922,49 4.704,50 5.746,51 5.99,52 4.447,53 4.703,54 6.906,55 4.571,56 0.032,57 1.047,58 18.661,59 8.868,60 18.896,61 11.398,62 0.437,63 1.842,64 37.294,65 15.722,66 76.47,67 20.936,68 0.547,69 2.703,70 55.811,71 22.945,72 129.891,73 30.37,74 0.769,75 3.545,76 80.043,77 30.284,78 181.702,79 41.467,80 1.433,81 3.785,82 95.216,83 32.31,84 318.607,85 45.464,86 1.937,87 3.399,88 91.879,89 28.544,90 373.038,91 39.378,92 1.308,93 3.062,94 78.994,95 25.982,96 283.509,97 36.236,98 1.766,99 2.804,100 76.36,101 23.893,102 303.71,103 33.887,104 208,105 68,106 0.209,107 0.453,108 0.727,109 0.848,110 0.864,111 0.864,112 3.669,113 1.008,114 -3.78,115 -3.74,116 -3.56,121 37.5,122 7,123 6,124 3,125 4,126 1,129 2,138 2,158 3,160 2,176 20,179 2,180 10,185 2,187 31,191 1,192 16,197 4,200 37,206 21,211 2,214 28,218 4,219 31,224 2,227 27,231 2,232 23,235 1,237 1,239 26,243 1,244 17,247 1,249 1,251 23,255 5,256 12,259 1,261 2,264 20,268 2,269 4,272 1,274 3,277 11,281 2356,282 23.717,283 23.717,284 23.717,285 23.717,286 23.717,287 22.848,288 26.234,289 12.726,290 23.901,291 19.95,292 19.95,293 19.95,294 19.95,295 19.95,296 18.247,297 26.058,298 5.788,299 20.09,300 4.971,301 3.388,302 1.614,303 0.829,304 0.725,305 0.725,306 4.341,312 1,313 873,314 5.431,317 59.32,318 210.281,321 102.129,322 233.301,325 1.737,326 80.719,329 0.75,330 0.83,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.88,337 84,338 418,339 5.185,340 4.475,341 8.95,342 5.105,343 4.104,344 4.426,345 2.459,346 18.791,347 4.108,348 4.786,349 3.967,350 8.146,351 4.756,352 3.758,353 3.85,354 2.443,355 15.741,356 3.751,357 4.3,358 3.774,359 7.421,360 4.189,361 3.192,362 3.416,363 2.242,364 12.668,365 3.181,366 4.049,367 3.673,368 7.208,369 3.926,370 2.926,371 3.187,372 1.48,373 11.696,374 2.926,375 3.751,376 3.546,377 6.401,378 3.619,379 2.626,380 2.844,381 1.277,382 9.124,383 2.606,384 3.657,385 3.497,386 6.049,387 3.411,388 2.398,389 2.812,390 0.286,391 7.854,392 2.431,393 3.524,394 3.262,395 5.679,396 3.263,397 2.26,398 2.643,399 0.236,400 6.699,401 2.242,402 3.465,403 3.072,404 5.429,405 3.11,406 2.107,407 2.591,408 0.227,409 5.896,410 2.105,411 3.273,412 2.719,413 5.005,414 3.085,415 2.069,416 2.306,418 5.675,419 2.06,420 3.004,421 2.331,422 4.939,423 2.802,424 1.807,425 2.005,427 5.066,428 1.788,429 2.759,430 2.031,431 4.686,432 2.594,433 1.572,434 1.742,436 4.397,437 1.594,438 2.413,439 1.738,440 4.505,441 2.263,442 1.271,443 1.362,445 3.782,446 1.255,447 2.043,448 1.479,449 4.185,450 1.749,451 0.74,452 0.829,454 2.113,455 0.736,456 1.753,457 1.46,458 4.017,459 1.586,460 0.641,461 0.656,463 1.499,464 0.597,465 1.7,466 1.186,467 3.745,468 1.449,469 0.45,470 0.526,472 1.157,473 0.438,474 17.667,475 0.465,476 1.77,477 0.047,478 32,479 0.842,480 9,481 0.237,482 23,483 0.605,484 66.092,485 1.739,486 45.333,487 0.567,488 31.062,489 0.817,490 4.876,491 0.128,492 12.612,493 0.332,494 0.34,495 0.113,496 0.34,501 0.647,502 1.295,503 0.878,504 1.28,505 0.592,506 1.148,507 0.596,508 0.95,509 0.714,510 0.94,511 0.504,512 0.864,513 0.871,514 1.19,515 1.018,516 1.187,517 0.867,518 1.141,519 0.895,520 1.195,521 1.039,522 1.193,523 0.895,524 1.153,525 0.885,526 1.062,527 0.906,528 1.051,529 0.93,530 0.993,531 1.425,532 0.949,533 1.18,534 0.949,535 1.493,536 1.005,537 1.153,538 1.089,539 1.108,540 1.088,541 1.209,542 1.088,543 1.078,544 0.971,545 1.07,546 0.978,547 1.111,548 1.016,549 13,550 0.239,551 9.333,552 6.889,553 6.232,554 3.434,555 2.252,556 1.42,557 0.855,558 0.478,559 15834,560 42148,561 1.894,562 52.5,563 25,564 5,567 1,568 9,569 2,572 1.799,573 1.652,574 3.302,575 -0.4,582 108.07,583 1.351,584 2.934,585 4.708,586 5.493,587 5.596,588 5.596,589 2.889,590 5.09,591 5.21,592 3.489,593 2453,594 9.252,595 35861.7,600 505.754,601 1.871,602 5.076,603 0.317,604 0.009,605 0.137,606 0.078,607 0.066,608 0.036,609 0.029,610 0.021,611 0.015,612 0.012,613 0.72,614 0.33,615 0.88,616 1.53,617 201.12,618 -0.02,619 0.015,620 0.036,621 0.021,622 -0.035,623 0.037,624 0.109,625 0.221,626 0.219,627 0.229,628 0.08,629 0.244,630 -0.051,631 -0.013,632 -0.066,633 -0.019,634 -0.052,635 -0.042,636 -0.069,637 -0.111,638 -0.085,639 -0.11,640 -0.069,641 -0.102,642 0.056,643 -0.067,644 0.073,645 -0.055,646 0.067,647 0.003,648 -0.144,649 0.021,650 -0.138,651 0.009,652 -0.13,653 -0.054,654 -0.075,655 -0.098,656 -0.105,657 -0.101,658 -0.059,659 -0.108,660 0.044,661 -0.023,662 -0.057,663 -0.033,664 0.015,665 -0.061,666 2.578,667 7.536,668 0.447,669 38.211,670 1.002,671 1.13,672 2.549,673 6.495,674 0.62,675 3.738,676 4.234,677 4.635,678 5.011,679 5.371,680 5.598,681 5.841,682 6.071,683 6.215,684 6.293,685 6.239,686 0.585,687 530.72,688 3.738,689 5.389,690 6.326,691 7.314,692 8.29,693 9.289,694 10.281,695 11.286,696 12.287,697 13.295,741 80,743 6,745 41,747 83,748 30,752 4,756 4,757 10,763 7,764 4,766 4,767 6,768 2,770 8,772 7,773 23,774 3,777 6,782 5,786 7,793 42,794 8,795 1,796 8,808 0.25,809 8,811 1,828 1,829 3,832 1,833 2,841 3,846 2,850 2,857 1,859 1,864 8,868 38,875 1,876 6,878 2,880 5,882 4,893 10,894 1,896 5,898 2,901 23,902 16.783,903 7.993,904 5.129,907 0.572,908 1.066,909 0.857,910 7.087,911 9.285,912 3.871,913 4.419,914 4.89,915 5.357,916 5.844,917 6.114,918 6.394,919 6.673,920 6.823,921 6.865,922 0.875,923 88,924 14.643,926 6.994,927 0.026,929 8.035,931 27.253,933 24.57,936 2.535,937 96.333,941 482.615,942 124.021,945 190.408,948 124.021,949 673.023,951 72.659,952 15.207,953 42.683,954 155.508,955 28.371,957 482.615,959 482.615,960 124.021,961 190.408,964 459.073,965 171.267,966 42.683,968 76.984,969 47.037,972 482.615,973 190.408,974 124.021,977 482.615,978 51.361,979 72.659,981 190.408,982 482.615,983 190.408,984 124.021,986 0.623,987 0.389,988 0.206,989 0.127,990 36,991 20,992 0.084,993 7,994 3,995 1.353,996 3.969,997 435.951,998 0.353,999 17,1000 197.421,1005 28.994,1006 9.288,1007 3.815,1009 190.408,1017 42.683,1018 797.044,1019 47,1024 66.917,1028 -1.156,1031 80.174,1032 90.394,1034 0.214,1035 0.464,1036 0.745,1037 0.869,1038 0.885,1039 0.885,1040 5.278,1041 2.107,1042 6.469,1043 6.699,1044 4.92,1045 5.106,1046 3.615,1047 7.568,1048 4.914,1049 6.554,1050 2.069,1051 8.237,1052 5.896,1053 5.13,1054 5.352,1055 3.199,1056 9.326,1057 5.134,1058 7.964,1059 1.807,1060 10.131,1061 5.675,1062 6.884,1063 7.21,1064 4.95,1065 12.57,1066 6.878,1067 9.409,1068 1.572,1069 12.101,1070 5.066,1071 7.848,1072 8.186,1073 5.239,1074 15.106,1075 7.848,1076 10.892,1077 1.271,1078 14.122,1079 4.397,1080 9.274,1081 9.702,1082 6.507,1083 18.063,1084 9.269,1085 12.403,1086 0.74,1087 16.177,1088 3.782,1089 10.505,1090 10.958,1091 7.101,1092 20.846,1093 10.503,1094 13.935,1095 0.641,1096 18.257,1097 2.113,1098 11.871,1099 12.404,1100 8.171,1101 23.751,1102 11.869,1103 4.104,1104 0.45,1105 20.357,1106 1.499,1107 13.196,1108 13.774,1109 8.91,1110 26.616,1111 13.195,1112 3.758,1113 18.791,1114 22.471,1115 1.157,1116 14.561,1117 15.216,1118 9.888,1119 29.519,1120 14.561,1121 3.192,1122 15.741,1123 24.597,1124 4.426,1125 15.921,1126 16.637,1127 10.698,1128 32.415,1129 15.922,1130 2.926,1131 12.668,1132 26.732,1133 3.85,1134 17.295,1135 18.088,1136 11.632,1137 35.325,1138 17.297,1139 2.626,1140 11.696,1141 28.875,1142 3.416,1143 18.671,1144 19.535,1145 12.478,1146 38.236,1147 18.675,1148 2.398,1149 9.124,1150 31.024,1151 3.187,1152 20.054,1153 20.995,1154 13.39,1155 41.153,1156 20.058,1157 2.26,1158 7.854,1159 33.178,1160 2.844,1161 21.439,1162 22.456,1163 14.256,1164 44.072,1165 21.444,1166 16004,1167 26122,1168 24.274,1169 49.625,1170 66.503,1171 70.697,1172 73.372,1173 64.972,1174 65.052,1175 71.736,1176 21.3,1177 227.051,1178 64.821,1179 6.185,1180 6.475,1181 8.511,1182 6.125,1183 6.104,1184 7.137,1185 4.279,1186 28.874,1187 6.108,1188 29.705,1189 1.622,1190 1.724,1191 1.79,1192 1.585,1193 1.587,1194 1.75,1195 0.52,1196 5.538,1197 1.581,1198 4.156,1199 4.174,1200 4.104,1201 4.084,1202 7.442,1203 4.085,1204 3.935,1205 3.97,1206 3.845,1207 3.849,1208 7.431,1209 3.843,1210 3.731,1211 3.766,1212 3.627,1213 3.596,1214 7.429,1215 3.593,1216 3.575,1217 3.601,1218 3.5,1219 3.416,1220 7.423,1221 3.421,1222 3.56,1223 3.575,1224 3.477,1225 3.324,1226 7.42,1227 3.356,1228 3.426,1229 3.486,1230 3.293,1231 3.265,1232 6.449,1233 3.258,1234 3.399,1235 3.446,1236 3.263,1237 3.179,1238 4.541,1239 3.191,1240 3.318,1241 3.359,1242 3.182,1243 3.126,1244 4.493,1245 3.134,1246 0.126,1247 0.109,1248 0.218,1249 0.125,1250 0.1,1251 5.185,1252 0.108,1253 4.475,1254 0.06,1255 8.95,1256 0.458,1257 5.105,1258 0.1,1259 4.104,1260 4.426,1261 2.459,1262 18.791,1263 4.108,1264 2.062,1265 2.043,1266 2.179,1267 2.154,1268 1.603,1269 2.161,1270 1.872,1271 1.836,1272 2.05,1273 1.997,1274 1.473,1275 2.014,1276 1.759,1277 1.722,1278 1.937,1279 1.909,1280 1.263,1281 1.917,1282 1.528,1283 1.495,1284 1.768,1285 1.752,1286 1.029,1287 1.742,1288 1.486,1289 1.436,1290 1.738,1291 1.696,1292 1.004,1293 1.697,1294 1.426,1295 1.39,1296 1.69,1297 1.663,1298 0.951,1299 1.683,1300 1.402,1301 1.349,1302 1.664,1303 1.608,1304 0.737,1305 1.627,1306 1.294,1307 1.238,1308 1.616,1309 1.558,1310 0.695,1311 1.578,1312 4.419,1314 5.872,1315 2.398,1316 7.541,1317 5.043,1318 9.326,1319 7.413,1320 11.184,1322 13.902,1327 10.828,1328 1.814,1330 10.614,1332 -2.726,1334 -3.86,1340 46.781,1341 108.07,1342 234.711,1343 376.656,1344 439.45,1345 447.715,1346 447.715,1347 184.869,1348 8.713,1349 124.04,1350 124.04,1351 23,1352 13.751,1353 2.807,1354 2.807,1355 66.877,1356 142,1357 193,1358 0.246,1359 283.373,1360 532.6,1361 683.189,1362 67189,1364 28.585,1365 0.752,1366 0.63,1367 28.585,1368 23.934,1369 17.488,1370 0.427,1371 0.336,1372 13.612,1373 16.799,1374 12.931,1375 10.677,1376 17.488,1377 13.771,1378 18.056,1379 0.266,1380 0.196,1381 18.056,1382 13.31,1383 15.899,1384 0.156,1385 0.111,1386 15.899,1387 11.295,1388 13.116,1389 0.088,1390 0.059,1391 13.116,1392 8.808,1393 11.717,1394 0.055,1395 0.031,1396 11.717,1397 6.651,1398 0.365,1399 110.324,1400 0.203,1401 32.724,1402 0.753,1403 218,1404 620.298,1405 238.15,1406 574.528,1407 752.62,1408 530,1409 279,1410 522.364,1411 297.715,1412 526.134,1413 785.34,1414 491,1415 4.766}
{0 CHEMBL513161,1 1.345,2 8.483,3 4.785,4 22.9,5 119.45,6 6.682,7 0.364,8 4.144,9 4.272,10 3.629,11 3.741,12 5.139,13 3.687,14 4.725,15 4.909,16 4.068,17 4.212,18 5.612,19 4.136,20 5.055,21 5.249,22 4.219,23 4.439,24 5.96,25 4.337,26 5.26,27 5.524,28 4.259,29 4.455,30 6.181,31 4.341,32 5.144,33 5.369,34 4.215,35 4.401,36 6.154,37 4.315,38 5.094,39 5.305,40 4.193,41 4.406,42 6.112,43 4.303,44 5.168,45 5.418,46 4.008,47 4.394,48 6.034,49 4.249,50 5.092,51 5.343,52 3.82,53 4.31,54 5.881,55 4.123,56 0.072,57 0.826,58 13.401,59 5.775,60 11.646,61 7.988,62 0.132,63 1.42,64 24.513,65 10.552,66 15.044,67 14.824,68 0.201,69 1.934,70 34.685,71 13.907,72 28.723,73 19.789,74 0.428,75 2.238,76 44.374,77 16.033,78 57.714,79 23.484,80 0.439,81 2.055,82 39.66,83 12.98,84 62.817,85 18.899,86 0.38,87 1.979,88 36.859,89 13.571,90 60.224,91 19.615,92 0.368,93 2.037,94 40.261,95 14.701,96 50.529,97 21.318,98 0.192,99 1.818,100 36.561,101 15.459,102 33.538,103 21.917,104 26,105 51,106 0.219,107 0.573,108 0.747,109 0.809,110 0.831,111 0.831,112 3.41,113 0.974,114 -5.42,115 -5.3,116 -4.95,121 43.1,122 3,123 6,124 1,125 1,138 1,140 1,144 4,145 4,146 1,148 1,149 1,158 1,165 1,166 1,167 1,176 18,179 1,180 6,185 4,187 26,189 2,192 5,197 4,200 18,203 2,206 10,208 2,209 3,211 9,214 18,216 4,219 7,224 5,227 18,229 3,232 8,235 1,236 1,237 7,238 1,239 24,241 4,244 2,249 4,251 22,253 2,256 2,261 6,264 24,266 3,274 1,277 14,281 1263,282 19.24,283 19.24,284 19.24,285 19.24,286 19.24,287 17.226,288 25.51,289 10.864,290 19.391,291 16.309,292 16.309,293 16.309,294 16.309,295 16.309,296 13.207,297 30.578,298 5.19,299 16.593,300 4.513,301 2.347,302 1.28,303 0.901,304 0.763,305 0.763,306 4.116,311 1,312 1,313 544,314 2.915,318 249.401,322 234.292,325 1.12,326 25.886,329 0.75,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.86,337 60.5,338 246,339 4.74,340 3.822,341 7.219,342 4.446,343 3.46,344 4.386,345 1.36,346 12.786,347 3.413,348 4.425,349 3.376,350 6.815,351 4.21,352 3.218,353 3.895,354 0.986,355 11.298,356 3.192,357 4.138,358 3.157,359 6.54,360 3.911,361 2.921,362 3.604,363 0.765,364 10.243,365 2.889,366 3.922,367 2.793,368 6.026,369 3.535,370 2.545,371 3.18,373 8.388,374 2.52,375 3.712,376 2.668,377 5.749,378 3.356,379 2.377,380 2.984,382 7.748,383 2.328,384 3.589,385 2.564,386 5.329,387 3.191,388 2.228,389 2.867,391 6.534,392 2.144,393 3.347,394 2.322,395 5.066,396 2.989,397 2.014,398 2.615,400 5.868,401 1.955,402 3.176,403 2.186,404 4.997,405 2.794,406 1.839,407 2.302,409 5.576,410 1.75,411 2.521,412 1.675,413 4.452,414 2.426,415 1.432,416 1.519,418 3.83,419 1.423,420 2.5,421 1.481,422 3.883,423 2.253,424 1.279,425 1.5,427 3.078,428 1.242,429 2.43,430 1.247,431 3.654,432 2,433 1,434 1.419,436 2.421,437 1,438 2.03,439 1,440 3.414,441 1.912,442 0.931,443 0.995,445 2.275,446 0.912,447 1.421,448 0.552,449 3.372,450 1.097,451 0.132,452 0.152,454 0.39,455 0.127,456 1.211,457 0.394,458 3.302,459 0.986,460 0.025,461 0.029,463 0.072,464 0.024,465 1.128,466 0.208,467 3.013,468 0.881,469 -0.097,470 -0.115,472 -0.232,473 -0.094,474 14.033,475 0.484,476 1.006,477 0.035,478 34,479 1.172,480 16,481 0.552,482 18,483 0.621,484 33.217,485 1.145,486 30.967,487 0.534,488 24.366,489 0.84,490 5.719,491 0.197,492 8.119,493 0.28,494 0.159,495 0.036,496 0.392,501 0.97,502 1.086,503 0.91,504 0.981,505 1.056,506 0.947,507 0.538,508 1.029,509 0.76,510 0.95,511 0.507,512 0.887,513 0.97,514 1.298,515 1.064,516 1.199,517 1.002,518 1.15,519 0.943,520 0.982,521 0.815,522 0.885,523 0.92,524 0.843,525 2.034,526 0.979,527 1.143,528 0.866,529 1.876,530 0.912,531 1.182,532 1.188,533 1.112,534 1.119,535 1.106,536 1.107,537 1.388,538 0.941,539 1.196,540 1.007,541 1.356,542 1.066,543 0.679,544 1.2,545 1.115,546 1.284,547 0.741,548 1.252,549 7,550 0.049,551 3.556,552 3.188,553 3.191,554 1.674,555 1.23,556 0.899,557 0.373,558 0.241,559 9131,560 17327,561 2.12,562 50,563 16,564 4,567 3,568 4,569 2,572 1.731,573 1.944,574 3.022,575 0.789,582 78.03,583 1.345,584 3.511,585 4.578,586 4.957,587 5.095,588 5.095,589 2.414,590 4.487,591 4.829,592 3.185,593 1293.17,594 8.477,595 16293,597 1,600 339.763,601 1.662,602 4.767,603 0.212,604 0.007,605 0.07,606 0.057,607 0.056,608 0.03,609 0.023,610 0.021,611 0.011,612 0.015,613 0.502,614 0.33,615 0.88,616 0.605,617 141.134,618 -0.077,619 0.077,620 0.044,621 0.102,622 -0.118,623 0.086,624 0.133,625 0.051,626 0.187,627 0.111,628 0.111,629 0.145,630 -0.035,631 -0.226,632 -0.097,633 -0.173,634 -0.107,635 -0.147,636 0.186,637 0.023,638 0.187,639 0.074,640 0.166,641 0.121,642 -0.279,643 0.114,644 -0.098,645 0.071,646 -0.19,647 0.015,648 0.051,649 -0.108,650 -0.114,651 -0.135,652 0.116,653 -0.138,654 -0.223,655 0.087,656 -0.2,657 -0.041,658 -0.206,659 -0.102,660 0.005,661 -0.261,662 -0.167,663 -0.258,664 0.023,665 -0.234,666 1.436,667 5.119,668 0.828,669 22.364,670 0.985,671 1.122,672 4.19,673 17.558,674 0.662,675 3.526,676 3.951,677 4.277,678 4.673,679 5.024,680 5.247,681 5.464,682 5.737,683 5.875,684 5.971,685 5.284,686 0.614,687 387.57,688 3.526,689 5.13,690 6.023,691 6.967,692 7.883,693 8.834,694 9.762,695 10.716,696 11.649,697 12.605,698 5.2,702 1,707 1,708 1,715 4,716 1,720 7,722 12,733 1,741 58,743 14,744 1,745 33,747 62,748 25,749 11,750 2,751 4,752 3,756 5,757 11,763 3,764 1,766 1,767 6,768 1,770 6,772 14,773 11,774 1,777 2,785 1,786 3,793 29,794 4,795 3,796 4,802 3,808 0.4,809 1,822 1,829 5,833 3,839 1,849 1,850 1,857 1,859 2,864 3,868 29,869 1,875 1,876 6,880 1,882 1,893 1.7,895 1,901 14.917,902 11.35,903 6,904 3.764,907 3.058,908 1.364,909 0.988,910 4.273,911 11.459,912 3.738,913 4.394,914 4.977,915 5.615,916 6.231,917 6.642,918 7.103,919 7.601,920 7.984,921 8.263,922 0.833,923 56,924 10.832,926 4.831,927 0.026,929 7.509,931 21.418,933 19.099,936 2.009,937 58.25,939 1,940 1,941 306.049,942 106.114,943 66.468,945 42.683,948 106.114,949 348.732,950 66.468,951 26.476,952 15.207,953 70.802,954 62.226,955 38.227,956 2.328,957 306.049,959 306.049,960 172.582,961 42.683,964 282.506,965 66.226,968 61.225,969 94.571,970 16.786,972 306.049,973 109.152,974 106.114,977 306.049,978 41.733,979 64.381,981 109.152,982 306.049,983 109.152,984 106.114,986 0.606,987 0.353,988 0.206,989 0.124,990 29,991 13,992 0.016,993 1,994 3,995 1.25,996 3.764,997 294.582,998 0.25,999 24,1000 134.881,1005 18.725,1006 6.618,1007 3.063,1009 109.152,1010 8.58,1011 5,1015 7.266,1017 75.581,1018 521.314,1019 41,1027 4.983,1028 2.373,1031 57.12,1032 65.102,1034 0.23,1035 0.599,1036 0.781,1037 0.846,1038 0.87,1039 0.87,1040 5.056,1041 1.839,1042 6.08,1043 5.868,1044 4.635,1045 5.081,1046 1.93,1047 7.011,1048 4.6,1049 6.311,1050 1.432,1051 7.714,1052 5.576,1053 4.511,1054 5.085,1055 1.06,1056 8.231,1057 4.464,1058 7.671,1059 1.279,1060 9.451,1061 3.83,1062 6.382,1063 7.306,1064 2.004,1065 11.342,1066 6.322,1067 9.06,1068 1,1069 11.247,1070 3.078,1071 7.013,1072 8.041,1073 1.679,1074 13.331,1075 6.945,1076 10.477,1077 0.931,1078 13.08,1079 2.421,1080 8.437,1081 9.811,1082 2.278,1083 16.028,1084 8.358,1085 11.913,1086 0.132,1087 14.939,1088 2.275,1089 9.396,1090 10.891,1091 2.248,1092 18.326,1093 9.308,1094 13.366,1095 0.025,1096 16.815,1097 0.39,1098 10.667,1099 12.479,1100 2.696,1101 20.893,1102 10.568,1103 3.46,1104 -0.097,1105 18.706,1106 0.072,1107 11.77,1108 13.738,1109 2.825,1110 23.319,1111 11.66,1112 3.218,1113 12.786,1114 20.607,1115 -0.232,1116 12.992,1117 15.248,1118 3.201,1119 25.849,1120 12.871,1121 2.921,1122 11.298,1123 22.517,1124 4.386,1125 14.156,1126 16.601,1127 3.415,1128 28.33,1129 14.024,1130 2.545,1131 10.243,1132 24.435,1133 3.895,1134 15.367,1135 18.078,1136 3.757,1137 30.851,1138 15.222,1139 2.377,1140 8.388,1141 26.359,1142 3.604,1143 16.56,1144 19.482,1145 4.015,1146 33.358,1147 16.402,1148 2.228,1149 7.748,1150 28.288,1151 3.18,1152 17.771,1153 20.948,1154 4.341,1155 35.882,1156 17.6,1157 2.014,1158 6.534,1159 30.221,1160 2.984,1161 18.977,1162 22.38,1163 4.622,1164 38.402,1165 18.794,1166 8601,1167 11975,1168 21.789,1169 38.37,1170 51.598,1171 51.688,1172 53.091,1173 50.806,1174 50.803,1175 62.894,1176 6.221,1177 161.015,1178 49.835,1179 5.692,1180 5.822,1181 6.901,1182 5.502,1183 5.46,1184 7.386,1185 2.346,1186 20.496,1187 5.413,1188 15.081,1189 1.564,1190 1.566,1191 1.609,1192 1.54,1193 1.539,1194 1.906,1195 0.189,1196 4.879,1197 1.51,1198 4.115,1199 4.145,1200 4.074,1201 4.04,1202 6.466,1203 4.044,1204 3.895,1205 3.932,1206 3.825,1207 3.825,1208 5.122,1209 3.82,1210 3.855,1211 3.893,1212 3.77,1213 3.775,1214 4.803,1215 3.769,1216 3.584,1217 3.641,1218 3.457,1219 3.477,1220 4.704,1221 3.465,1222 3.331,1223 3.388,1224 3.207,1225 3.193,1226 4.423,1227 3.189,1228 3.203,1229 3.282,1230 3.096,1231 3.038,1232 4.181,1233 3.034,1234 3.143,1235 3.219,1236 2.975,1237 2.963,1238 3.932,1239 2.959,1240 3.06,1241 3.137,1242 2.893,1243 2.879,1244 3.888,1245 2.87,1246 0.144,1247 0.116,1248 0.219,1249 0.135,1250 0.105,1251 4.74,1252 0.133,1253 3.822,1254 0.041,1255 7.219,1256 0.387,1257 4.446,1258 0.103,1259 3.46,1260 4.386,1261 1.36,1262 12.786,1263 3.413,1264 2.058,1265 2.034,1266 2.149,1267 2.153,1268 1.455,1269 2.152,1270 1.899,1271 1.866,1272 2.055,1273 2.004,1274 1.39,1275 2.023,1276 1.863,1277 1.827,1278 2.024,1279 1.967,1280 1.218,1281 1.988,1282 1.586,1283 1.535,1284 1.775,1285 1.734,1286 0.988,1287 1.754,1288 1.316,1289 1.265,1290 1.538,1291 1.511,1292 0.754,1293 1.523,1294 1.198,1295 1.125,1296 1.505,1297 1.411,1298 0.685,1299 1.444,1300 1.136,1301 1.061,1302 1.451,1303 1.375,1304 0.606,1305 1.397,1306 1.052,1307 0.981,1308 1.417,1309 1.29,1310 0.578,1311 1.313,1312 4.205,1314 5.602,1316 7.204,1318 8.908,1320 10.669,1322 6.471,1326 6.79,1327 11.119,1328 5.784,1332 -0.103,1334 -0.012,1340 35.627,1341 78.03,1342 203.655,1343 265.498,1344 287.498,1345 295.498,1346 295.498,1347 51.939,1348 8.401,1349 71.5,1350 71.5,1351 30,1352 13.095,1353 3.907,1354 3.17,1355 39.078,1356 89,1357 105,1358 0.216,1359 214.572,1360 378.13,1361 515.316,1362 50653,1364 20.336,1365 0.701,1366 0.605,1367 20.336,1368 17.548,1369 13.838,1370 0.419,1371 0.325,1372 10.661,1373 13.617,1374 10.238,1375 8.507,1376 13.838,1377 10.715,1378 13.861,1379 0.272,1380 0.19,1381 13.861,1382 9.675,1383 11.39,1384 0.16,1385 0.094,1386 11.39,1387 6.678,1388 10.68,1389 0.101,1390 0.05,1391 10.68,1392 5.267,1393 9.145,1394 0.061,1395 0.027,1396 9.145,1397 4.057,1398 0.318,1399 84.711,1400 0.214,1401 26.307,1402 0.662,1403 168,1404 348.752,1405 175.294,1406 353.967,1407 504.48,1408 332,1409 206,1410 391.509,1411 213.822,1412 405.63,1413 603.37,1414 382,1415 6.174}
{0 CHEMBL513236,1 1.403,2 13.3,3 4.842,4 23.446,5 119.178,6 7.115,7 0.563,8 4.114,9 4.219,10 3.64,11 3.646,12 5.229,13 3.621,14 4.632,15 4.805,16 3.931,17 3.99,18 5.652,19 3.954,20 4.776,21 4.924,22 4.069,23 4.158,24 5.872,25 4.098,26 4.99,27 5.202,28 4.014,29 4.191,30 6.014,31 4.1,32 4.976,33 5.188,34 3.911,35 4.195,36 5.972,37 4.075,38 4.996,39 5.256,40 3.78,41 4.143,42 5.884,43 3.986,44 4.853,45 5.111,46 3.699,47 3.983,48 5.784,49 3.848,50 4.66,51 4.884,52 3.623,53 3.847,54 5.648,55 3.743,56 0.008,57 0.729,58 12.062,59 5.611,60 9.413,61 7.102,62 0.284,63 1.156,64 22.794,65 8.535,66 24.847,67 10.953,68 0.197,69 1.348,70 25.06,71 10.763,72 29.344,73 13.907,74 0.384,75 1.593,76 33.654,77 12.566,78 53.003,79 16.769,80 0.427,81 1.584,82 32.943,83 12.7,84 55.244,85 17.06,86 0.382,87 1.589,88 34.524,89 13.356,90 51.15,91 18.72,92 0.323,93 1.343,94 30.216,95 11.523,96 51.004,97 15.91,98 0.253,99 1.115,100 24.396,101 9.312,102 40.402,103 12.402,104 35,105 43,106 0.23,107 0.494,108 0.644,109 0.767,110 0.819,111 0.849,112 3.44,113 0.911,114 -4.6,115 -4.52,116 -4.25,121 43.9,126 4,127 2,144 11,145 4,146 3,159 1,176 13,180 8,187 13,191 1,192 13,200 10,205 1,206 10,214 8,218 1,219 4,227 10,231 1,232 4,239 10,243 1,244 7,251 9,256 7,264 7,269 4,277 5,281 1416,282 20.472,283 20.472,284 20.472,285 20.472,286 20.472,287 18.244,288 22.127,289 12.025,290 21.062,291 15.569,292 15.569,293 15.569,294 15.569,295 15.569,296 12.053,297 27.007,298 5.409,299 16.208,300 4.429,301 2.814,302 1.901,303 1.15,304 0.83,305 0.649,306 4.121,311 1,312 1,313 836,314 3.808,318 345.532,325 2.233,326 23.332,329 1,330 1,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.88,337 64.5,338 399,339 4.398,340 3.589,341 6.429,342 4.04,343 3.037,344 4.036,345 0.995,346 9.852,347 3.057,348 4.206,349 3.193,350 6.154,351 3.84,352 2.875,353 3.805,354 0.86,355 9.094,356 2.774,357 4.128,358 3.16,359 6.099,360 3.728,361 2.765,362 3.716,363 0.86,364 8.827,365 2.652,366 3.83,367 2.882,368 5.496,369 3.506,370 2.531,371 3.222,372 0.86,373 7.382,374 2.463,375 3.381,376 2.408,377 5.166,378 3.078,379 2.127,380 2.635,381 0.359,382 6.156,383 2.018,384 3.141,385 2.198,386 4.816,387 2.83,388 1.857,389 2.263,391 5.387,392 1.796,393 2.919,394 2.013,395 4.374,396 2.521,397 1.609,398 2.085,400 4.13,401 1.461,402 2.917,403 1.9,404 4.236,405 2.471,406 1.518,407 2.057,409 3.843,410 1.439,411 2.764,412 1.781,413 3.717,414 2.377,415 1.388,416 1.839,418 3.007,419 1.368,420 2.509,421 1.48,422 3.614,423 2,424 1,425 1.5,427 2.337,428 1,429 2.5,430 1.051,431 3.414,432 1.985,433 0.958,434 1.376,436 2.275,437 0.971,438 1.866,439 1,440 3.025,441 1.531,442 0.614,443 0.745,445 1.124,446 0.556,447 1.72,448 0.94,449 2.94,450 1.428,451 0.53,452 0.614,454 0.899,455 0.47,456 1.452,457 0.934,458 2.684,459 1.182,460 0.328,461 0.359,463 0.438,464 0.278,465 1.271,466 0.432,467 2.563,468 0.999,469 0.034,470 0.04,472 0.077,473 0.033,474 14.233,475 0.474,476 0.622,477 0.021,478 39.5,479 1.317,480 21,481 0.7,482 18.5,483 0.617,484 23.294,485 0.776,486 32.567,487 0.571,488 31.991,489 1.066,490 8.501,491 0.283,492 6.049,493 0.202,494 0.164,496 0.309,501 0.799,502 1.303,503 0.817,504 1.181,505 0.644,506 1.03,507 1.383,508 0.76,509 0.932,510 0.717,511 0.859,512 0.734,513 0.854,514 1.309,515 0.996,516 1.255,517 0.81,518 1.167,519 1.128,520 1.055,521 1.034,522 1.017,523 1.315,524 1.01,525 0.992,526 1.102,527 1.158,528 1.105,529 1.129,530 1.147,531 0.622,532 0.963,533 0.942,534 1.001,535 0.614,536 1.016,537 0.796,538 0.89,539 0.86,540 0.911,541 1.202,542 0.902,543 1.117,544 0.989,545 0.995,546 0.976,547 1.253,548 0.972,549 6,550 0.178,551 3.556,552 2.063,553 1.778,554 1.007,555 0.687,556 0.314,557 0.225,558 0.215,559 12562,560 32946,561 2.012,562 47.4,564 27,572 1.723,573 1.875,574 3.687,575 -0.825,582 79.996,583 1.403,584 3.019,585 3.932,586 4.683,587 5.003,588 5.183,589 3.111,590 4.323,591 4.879,592 3.888,593 1691.36,594 8.479,595 24827.5,597 1,600 332.475,601 1.436,602 4.831,603 0.188,604 0.009,605 0.083,606 0.044,607 0.041,608 0.026,609 0.021,610 0.01,611 0.008,612 0.009,613 0.439,614 0.33,615 1,616 0.927,617 157.636,618 0.004,619 -0.177,620 0.062,621 -0.108,622 -0.028,623 -0.03,624 -0.194,625 0.323,626 0.049,627 0.27,628 -0.07,629 0.216,630 0.066,631 -0.251,632 -0.074,633 -0.218,634 0.101,635 -0.177,636 -0.066,637 -0.047,638 -0.047,639 -0.041,640 -0.051,641 -0.042,642 -0.049,643 -0.093,644 -0.193,645 -0.117,646 -0.08,647 -0.168,648 0.076,649 0.002,650 0.018,651 -0.018,652 0.086,653 -0.008,654 0.043,655 0.051,656 0.123,657 0.07,658 0.007,659 0.101,660 -0.09,661 -0.022,662 -0.008,663 0.011,664 -0.078,665 0.012,666 1.718,667 5.839,668 0.6,669 33.547,670 0.998,671 1.118,672 3.369,673 11.35,674 0.662,675 3.497,676 3.784,677 4.043,678 4.234,679 4.407,680 4.394,681 4.466,682 4.466,683 4.466,684 4.585,685 7.923,686 0.627,687 405.53,688 3.497,689 5.017,690 5.855,691 6.713,692 7.564,693 8.424,694 9.279,695 10.14,696 10.997,697 11.859,698 1.8,701 1,715 11,720 7,722 18,727 1,739 3,741 57,743 19,744 3,745 32,747 59,748 25,749 18,750 7,751 11,752 1,756 3,757 3,772 19,773 6,777 1,782 1,786 1,793 27,794 5,796 5,802 1,808 1,809 4,829 3,855 1,859 3,864 4,868 30,876 2,878 3,881 1,893 7,896 1,898 3,901 16,902 11.533,903 6.944,904 3.067,907 3.177,908 1.433,909 0.948,910 7.5,911 10.517,912 3.761,913 4.324,914 4.892,915 5.39,916 5.893,917 5.995,918 6.26,919 6.424,920 6.681,921 7.077,922 0.889,923 47,924 11.058,926 4.481,927 0.026,929 7.694,931 21.125,933 16.466,936 2.194,937 65.833,939 1,940 1,941 317.82,942 183.102,943 3.124,945 58.145,948 183.102,949 375.964,950 3.124,951 41.046,952 4.211,953 104.239,954 30.278,955 64.597,957 317.82,959 317.82,960 186.226,961 58.145,964 317.82,965 58.145,968 7.336,969 178.89,972 317.82,973 61.269,974 183.102,977 317.82,978 37.817,979 148.409,981 58.145,982 317.82,983 61.269,984 183.102,986 0.568,987 0.348,988 0.186,989 0.095,990 18,991 9,992 0.153,993 9,995 1,996 4.153,997 250.043,999 18,1000 143.207,1005 21.88,1006 10.283,1007 5.422,1009 61.269,1010 20.937,1015 5.506,1018 562.19,1019 42,1024 12.839,1028 -0.051,1031 56.898,1032 63.734,1034 0.241,1035 0.518,1036 0.674,1037 0.803,1038 0.858,1039 0.889,1040 4.973,1041 1.518,1042 5.826,1043 4.13,1044 4.466,1045 5.011,1046 2.013,1047 6.608,1048 4.403,1049 6.165,1050 1.388,1051 7.373,1052 3.843,1053 4.007,1054 4.732,1055 0.325,1056 7.473,1057 3.931,1058 7.459,1059 1,1060 9.019,1061 3.007,1062 6.038,1063 7.167,1064 1.747,1065 10.524,1066 5.937,1067 8.789,1068 0.958,1069 10.721,1070 2.337,1071 6.399,1072 7.691,1073 0.504,1074 12.179,1075 6.286,1076 10.15,1077 0.614,1078 12.458,1079 2.275,1080 7.875,1081 9.591,1082 1.534,1083 14.735,1084 7.751,1085 11.532,1086 0.53,1087 14.219,1088 1.124,1089 8.611,1090 10.493,1091 0.585,1092 16.715,1093 8.478,1094 12.93,1095 0.328,1096 15.997,1097 0.899,1098 9.858,1099 12.149,1100 1.356,1101 19.091,1102 9.719,1103 3.037,1104 0.034,1105 17.787,1106 0.438,1107 10.772,1108 13.249,1109 0.622,1110 21.215,1111 10.628,1112 2.875,1113 9.852,1114 19.587,1115 0.077,1116 11.92,1117 14.779,1118 1.208,1119 23.52,1120 11.775,1121 2.765,1122 9.094,1123 21.393,1124 4.036,1125 12.92,1126 15.99,1127 0.639,1128 25.711,1129 12.773,1130 2.531,1131 8.827,1132 23.205,1133 3.805,1134 14.027,1135 17.451,1136 1.086,1137 27.987,1138 13.882,1139 2.127,1140 7.382,1141 25.022,1142 3.716,1143 15.068,1144 18.726,1145 0.646,1146 30.212,1147 14.925,1148 1.857,1149 6.156,1150 26.843,1151 3.222,1152 16.159,1153 20.148,1154 0.986,1155 32.478,1156 16.021,1157 1.609,1158 5.387,1159 28.666,1160 2.635,1161 17.222,1162 21.462,1163 0.648,1164 34.721,1165 17.088,1166 12316,1167 20075,1168 20.978,1169 37.722,1170 46.713,1171 48.436,1172 49.088,1173 46.25,1174 46.344,1175 60.583,1176 7.867,1177 129.656,1178 44.673,1179 5.273,1180 5.589,1181 6.124,1182 5.051,1183 5.037,1184 7.036,1185 1.855,1186 16.683,1187 5.057,1188 16.508,1189 1.46,1190 1.514,1191 1.534,1192 1.445,1193 1.448,1194 1.893,1195 0.246,1196 4.052,1197 1.396,1198 4.021,1199 4.042,1200 3.973,1201 3.949,1202 7.427,1203 3.951,1204 3.923,1205 3.945,1206 3.866,1207 3.847,1208 4.927,1209 3.848,1210 3.848,1211 3.869,1212 3.79,1213 3.776,1214 4.859,1215 3.776,1216 3.522,1217 3.593,1218 3.411,1219 3.324,1220 4.698,1221 3.335,1222 3.314,1223 3.353,1224 3.211,1225 3.098,1226 4.496,1227 3.119,1228 3.249,1229 3.315,1230 3.063,1231 2.97,1232 4.39,1233 2.979,1234 3.247,1235 3.314,1236 3.051,1237 2.952,1238 4.266,1239 2.96,1240 3.092,1241 3.147,1242 2.924,1243 2.897,1244 4.178,1245 2.891,1246 0.137,1247 0.112,1248 0.201,1249 0.126,1250 0.095,1251 4.398,1252 0.126,1253 3.589,1254 0.031,1255 6.429,1256 0.308,1257 4.04,1258 0.096,1259 3.037,1260 4.036,1261 0.995,1262 9.852,1263 3.057,1264 1.972,1265 1.954,1266 2.069,1267 2.063,1268 1.236,1269 2.066,1270 1.906,1271 1.883,1272 2.015,1273 2.009,1274 1.142,1275 2.01,1276 1.834,1277 1.814,1278 1.939,1279 1.934,1280 1.057,1281 1.937,1282 1.479,1283 1.409,1284 1.725,1285 1.712,1286 0.845,1287 1.72,1288 1.242,1289 1.199,1290 1.576,1291 1.525,1292 0.583,1293 1.54,1294 1.197,1295 1.124,1296 1.573,1297 1.518,1298 0.575,1299 1.533,1300 1.191,1301 1.115,1302 1.568,1303 1.512,1304 0.573,1305 1.531,1306 1.081,1307 1.018,1308 1.374,1309 1.282,1310 0.533,1311 1.303,1312 4.174,1314 5.468,1316 6.967,1318 8.553,1320 10.18,1322 6.882,1328 1.541,1330 15.968,1333 2.211,1340 35.729,1341 79.996,1342 172.103,1343 224.117,1344 266.926,1345 285.191,1346 295.455,1347 56.216,1348 7.34,1349 48,1350 48,1351 18,1352 12.408,1353 4.322,1354 3.459,1355 55.706,1356 148,1357 122,1358 0.187,1359 221.904,1360 391.04,1361 533.206,1362 16164,1364 21.51,1365 0.717,1366 0.595,1367 21.51,1368 17.845,1369 14.55,1370 0.455,1371 0.304,1372 9.54,1373 13.92,1374 9.132,1375 7.711,1376 14.55,1377 9.715,1378 12.339,1379 0.287,1380 0.165,1381 12.339,1382 7.08,1383 10.639,1384 0.19,1385 0.088,1386 10.639,1387 4.947,1388 8.527,1389 0.125,1390 0.05,1391 8.527,1392 3.398,1393 6.556,1394 0.081,1395 0.027,1396 6.556,1397 2.22,1398 0.303,1399 91.918,1400 0.218,1401 28.926,1402 0.487,1403 150,1404 458.587,1405 162.488,1406 433.448,1407 585.07,1408 408,1409 174,1410 412.033,1411 187.904,1412 426.704,1413 613.63,1414 393,1415 5.431}
{0 CHEMBL513281,1 1.979,2 6.368,3 2.396,4 5.742,5 72.564,6 9.959,7 0.286,8 3.549,9 3.615,10 3.549,11 3.201,12 4.628,13 3.158,14 4.14,15 4.257,16 3.924,17 3.624,18 5.554,19 3.566,20 4.39,21 4.551,22 4.029,23 3.733,24 5.601,25 3.668,26 4.41,27 4.55,28 3.959,29 3.598,30 6.053,31 3.558,32 4.226,33 4.353,34 3.731,35 3.415,36 5.698,37 3.375,38 3.946,39 4.058,40 3.577,41 3.172,42 5.614,43 3.153,44 3.642,45 3.861,46 2.72,47 2.911,48 4.598,49 2.745,50 3.48,51 3.734,52 2.425,53 2.682,54 4.283,55 2.407,56 0.113,57 0.462,58 5.187,59 3.057,60 22.844,61 2.882,62 0.423,63 0.77,64 9.157,65 5.29,66 53.488,67 5.726,68 0.432,69 0.939,70 20.449,71 7.778,72 69.855,73 8.03,74 0.837,75 0.901,76 23.405,77 7.515,78 143.28,79 6.506,80 0.682,81 0.678,82 21.677,83 6.284,84 115.812,85 4.406,86 0.6,87 0.491,88 11.938,89 4.103,90 92.339,91 3.183,92 0.238,93 0.399,94 7.541,95 3.331,96 33.41,97 4.052,98 0.219,99 0.279,100 13.587,101 3.599,102 25.476,103 4.706,104 17,105 32,106 0.374,107 0.679,108 0.772,109 0.84,110 0.865,111 0.865,112 3.013,113 1.111,114 -3.14,115 -3.14,116 -3.02,121 40,123 4,138 1,140 1,144 3,149 2,160 1,176 6,179 5,180 6,187 6,192 9,200 3,205 5,206 14,214 2,219 8,227 3,232 8,239 6,251 6,264 4,281 389,282 12.463,283 12.463,284 12.463,285 12.463,286 12.463,287 11.095,288 15.442,289 7.121,290 12.843,291 10.345,292 10.345,293 10.345,294 10.345,295 10.345,296 8.095,297 19.103,298 3.345,299 11.034,300 2.928,301 1.317,302 0.825,303 0.467,304 0.333,305 0.333,306 3.681,309 1,310 1,311 1,312 1,313 259,314 2.449,317 33.743,318 94.786,321 66.755,325 0.953,326 37.344,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 42.333,338 121,339 5.068,340 4.829,341 7.887,342 4.621,343 3.685,344 4.85,345 1.416,346 14.74,347 3.432,348 4.059,349 3.55,350 6.254,351 3.59,352 2.669,353 3.656,354 1.058,355 8.899,356 2.508,357 3.922,358 2.997,359 6.096,360 3.462,361 2.468,362 3.295,364 8.403,365 2.381,366 3.494,367 2.67,368 5.275,369 3.088,370 2.181,371 2.723,373 6.322,374 1.962,375 3.052,376 2.213,377 4.697,378 2.65,379 1.696,380 2.165,382 4.684,383 1.553,384 2.659,385 1.595,386 3.857,387 2.262,388 1.288,389 1.723,391 2.908,392 1.231,393 2.429,394 1.403,395 3.719,396 2.121,397 1.149,398 1.383,400 2.667,401 1.099,402 2.134,403 1.248,404 3.483,405 2.006,406 1,407 1.081,409 2.481,410 1.001,411 1.567,412 0.802,413 3.303,414 1.077,415 0.062,416 0.085,418 0.176,419 0.063,420 1,421 0.21,422 2.803,423 0.437,424 -0.415,425 -0.518,427 -0.935,428 -0.255,429 0.917,430 0.148,431 2.442,432 0.37,433 -0.559,434 -0.618,436 -1.384,437 -0.538,438 0.646,439 -0.371,440 2.187,441 0.11,442 -0.88,443 -0.99,445 -2.151,446 -0.846,447 0.575,448 -0.714,449 2,450 0.08,451 -0.896,452 -1.263,454 -2.441,455 -0.892,456 0.305,457 -0.928,458 2,460 -1,461 -1.817,463 -3,464 -1,465 -0.074,466 -1,467 2,468 -0.484,469 -1.368,470 -1.829,472 -3.407,473 -1.1,474 9.348,475 0.492,476 0.657,477 0.035,478 25,479 1.316,480 12.5,481 0.658,482 12.5,483 0.658,484 14.529,485 0.765,486 20.652,487 0.688,488 16.976,489 0.893,490 4.358,491 0.229,492 4.657,493 0.245,494 0.183,495 0.089,496 0.31,501 0.457,502 1.418,503 0.647,504 1.201,505 0.575,506 0.882,507 0.394,508 1.045,509 0.606,510 0.858,511 0.482,512 0.891,513 0.809,514 1.21,515 0.808,516 1.098,517 0.82,518 0.899,519 1.184,520 1.046,521 1.129,522 1.118,523 1.185,524 0.947,525 2.021,526 0.839,527 1.147,528 0.88,529 2.14,530 0.9,531 1.506,532 0.87,533 1.096,534 0.905,535 1.595,536 1.039,537 0.726,538 0.875,539 0.82,540 0.799,541 0.627,542 1.247,543 0.615,544 0.891,545 1.593,546 1.168,547 0.307,548 1.45,549 4.5,551 3.111,552 3.333,553 1.312,554 0.74,555 0.303,556 0.087,557 0.041,559 2752,560 9993,561 2.038,562 36.7,563 6,564 3,569 2,572 1.612,573 1.854,574 2.698,575 -0.621,577 1,578 1,579 1,582 59.379,583 1.979,584 3.59,585 4.082,586 4.44,587 4.574,588 4.574,589 2.121,590 4.037,591 4.222,592 2.799,593 478.56,594 7.234,595 4499.56,596 1,597 1,599 1,600 147.207,601 1.747,602 4.142,603 0.214,605 0.097,606 0.098,607 0.042,608 0.032,609 0.017,610 0.011,611 0.01,613 0.522,614 0.67,615 1,616 0.697,617 79.104,618 0.084,619 -0.255,620 0.146,621 -0.15,622 -0.073,623 -0.004,624 0.337,625 0.04,626 0.12,627 0.043,628 0.21,629 -0.01,630 -0.003,631 -0.205,632 0.121,633 -0.072,634 -0.019,635 0.097,636 0.045,637 0.003,638 -0.129,639 -0.064,640 0.151,641 -0.04,642 -0.574,643 0.113,644 -0.188,645 0.123,646 -0.468,647 -0.016,648 -0.137,649 0.034,650 -0.125,651 -0.071,652 -0.135,653 -0.194,654 -0.085,655 0.008,656 -0.069,657 -0.019,658 -0.096,659 -0.218,660 0.037,661 -0.181,662 -0.192,663 -0.223,664 0.032,665 -0.23,666 4.681,667 5.414,668 0.789,669 10.083,670 1.033,671 1.119,672 1.913,673 3.659,674 0.723,675 3.091,676 3.497,677 3.829,678 4.174,679 4.357,680 4.369,681 4.431,682 4.477,683 4.317,684 4.094,685 4.062,686 0.695,687 298.77,688 3.091,689 4.673,690 5.565,691 6.503,692 7.419,693 8.366,694 9.292,695 10.242,696 11.174,697 12.126,698 6.7,705 1,708 1,715 3,716 1,720 2,722 6,740 1,741 30,743 10,745 21,747 32,748 12,749 5,752 3,756 3,757 4,758 1,767 4,770 4,772 8,773 4,777 4,780 1,782 3,786 3,789 1,790 1,793 11,794 5,796 7,797 2,802 2,808 0.667,809 3,822 1,828 1,829 2,832 1,849 1,850 1,859 2,862 1,865 1,868 19,872 1,876 4,881 1,892 1,893 10,896 3,901 10.25,902 5.46,903 4.028,904 1.922,907 1.582,908 1.238,909 1.011,910 2.97,911 8.227,912 3.367,913 4.016,914 4.535,915 5.095,916 5.496,917 5.563,918 5.813,919 6.122,920 6.141,921 6.171,922 1,923 34,924 7.357,926 3.613,927 0.026,929 8.203,931 13.216,933 11.562,936 2.703,937 51.361,941 129.482,942 59.215,943 18.304,944 39.149,945 69.458,947 5.807,948 53.408,949 238.089,950 18.304,952 11.657,953 34.236,954 92.499,955 3.186,956 44.548,957 129.482,959 129.482,960 71.712,961 69.458,962 44.956,964 105.94,965 93,968 11.657,969 41.719,970 24.144,971 39.149,972 129.482,973 87.762,974 98.364,976 5.807,977 129.482,978 24.979,979 29.947,981 125.392,982 129.482,983 87.762,984 98.364,986 0.602,987 0.366,988 0.213,989 0.114,990 18,991 8,992 0.031,993 1,994 1,995 1.133,996 2.958,997 151.603,998 0.133,999 15,1000 78.711,1004 1,1005 12.795,1006 4.41,1007 1.912,1009 87.762,1010 4.579,1011 3.924,1015 0.22,1018 315.608,1019 28,1022 -3.765,1024 37.1,1028 0.183,1031 31.004,1032 33.565,1034 0.403,1035 0.732,1036 0.832,1037 0.905,1038 0.932,1039 0.932,1040 4.659,1041 1,1042 5.631,1043 2.667,1044 4.174,1045 4.7,1046 1.981,1047 6.603,1048 4.056,1049 5.93,1050 0.062,1051 7.3,1052 2.481,1053 4.111,1054 4.956,1056 8.034,1057 3.875,1058 7.327,1059 -0.415,1060 9.094,1061 0.176,1062 5.964,1063 7.068,1064 2.447,1065 11.204,1066 5.713,1067 8.769,1068 -0.559,1069 10.964,1070 -0.935,1071 6.723,1072 8.121,1074 13.477,1075 6.359,1076 10.253,1077 -0.88,1078 12.885,1079 -1.384,1080 8.163,1081 9.837,1082 2.993,1083 16.291,1084 7.766,1085 11.766,1086 -0.896,1087 14.84,1088 -2.151,1089 9.261,1090 11.204,1092 18.849,1093 8.765,1094 13.303,1095 -1,1096 16.82,1097 -2.441,1098 10.586,1099 12.811,1100 3.598,1101 21.573,1102 10.037,1103 3.685,1104 -1.368,1105 18.82,1106 -3,1107 11.813,1108 14.301,1110 24.222,1111 11.178,1112 2.669,1113 14.74,1114 20.834,1115 -3.407,1116 13.113,1117 15.88,1118 4.241,1119 26.921,1120 12.413,1121 2.468,1122 8.899,1123 22.86,1124 4.85,1125 14.387,1126 17.42,1128 29.599,1129 13.609,1130 2.181,1131 8.403,1132 24.894,1133 3.656,1134 15.685,1135 18.994,1136 4.907,1137 32.292,1138 14.838,1139 1.696,1140 6.322,1141 26.935,1142 3.295,1143 16.977,1144 20.555,1146 34.978,1147 16.055,1148 1.288,1149 4.684,1150 28.981,1151 2.723,1152 18.276,1153 22.129,1154 5.587,1155 37.669,1156 17.284,1157 1.149,1158 2.908,1159 31.031,1160 2.165,1161 19.575,1162 23.7,1164 40.359,1165 18.51,1166 2754,1167 5393,1168 13.523,1169 21.688,1170 32.771,1171 34.841,1172 34.288,1173 32.695,1174 32.398,1175 41.923,1176 4.949,1177 102.559,1178 30.458,1179 6.023,1180 6.829,1181 7.564,1182 5.69,1183 5.685,1184 7.85,1185 2.833,1186 23.267,1187 5.432,1188 9.63,1189 1.561,1190 1.659,1191 1.633,1192 1.557,1193 1.543,1194 1.996,1195 0.236,1196 4.884,1197 1.45,1198 4.15,1199 4.133,1200 4.765,1201 4.116,1202 7.717,1203 4.036,1204 3.814,1205 3.85,1206 3.957,1207 3.722,1208 7.426,1209 3.72,1210 3.585,1211 3.599,1212 3.616,1213 3.483,1214 6.999,1215 3.417,1216 3.183,1217 3.199,1218 3.329,1219 2.998,1220 5.034,1221 2.993,1222 2.922,1223 2.95,1224 3.141,1225 2.785,1226 4.365,1227 2.763,1228 2.862,1229 2.899,1230 2.724,1231 2.712,1232 4.277,1233 2.685,1234 2.753,1235 2.823,1236 2.67,1237 2.559,1238 3.831,1239 2.571,1240 2.53,1241 2.59,1242 2.4,1243 2.258,1244 3.528,1245 2.285,1246 0.241,1247 0.23,1248 0.376,1249 0.22,1250 0.175,1251 5.068,1252 0.231,1253 4.829,1254 0.067,1255 7.887,1256 0.702,1257 4.621,1258 0.163,1259 3.685,1260 4.85,1261 1.416,1262 14.74,1263 3.432,1264 1.902,1265 1.899,1266 2.04,1267 1.995,1268 1.419,1269 2.035,1270 1.824,1271 1.792,1272 1.892,1273 1.961,1274 0.975,1275 1.956,1276 1.478,1277 1.513,1278 1.454,1279 1.628,1280 0.797,1281 1.669,1282 1.206,1283 1.176,1284 1.326,1285 1.399,1286 0.691,1287 1.398,1288 1.013,1289 0.928,1290 1.146,1291 1.252,1292 0.426,1293 1.291,1294 0.784,1295 0.754,1296 0.919,1297 0.934,1298 0.065,1299 0.968,1300 0.587,1301 0.533,1302 0.707,1303 0.849,1305 0.853,1306 0.397,1307 0.342,1308 0.671,1309 0.761,1311 0.759,1312 3.761,1314 5.142,1315 2.398,1316 6.735,1317 5.043,1318 8.424,1319 7.38,1320 10.165,1323 5.759,1328 2.587,1333 0.773,1340 20.836,1341 59.379,1342 107.697,1343 122.452,1344 133.207,1345 137.207,1346 137.207,1347 44.577,1348 6.645,1349 67.34,1350 75.72,1351 17,1352 12.617,1353 3.459,1354 3,1355 27.512,1356 45,1357 44,1358 0.315,1359 134.102,1360 237.07,1361 318.97,1362 5435,1363 3.3,1364 13.621,1365 0.717,1366 0.607,1367 14.371,1368 11.538,1369 9.015,1370 0.429,1371 0.37,1372 6.037,1373 7.666,1374 5.795,1375 4.738,1376 10.092,1377 7.777,1378 8.793,1379 0.275,1380 0.209,1381 10.464,1382 6.697,1383 7.361,1384 0.164,1385 0.121,1386 8.959,1387 5.437,1388 6.748,1389 0.105,1390 0.069,1391 8.535,1392 4.427,1393 5.125,1394 0.067,1395 0.042,1396 6.575,1397 3.222,1398 0.456,1399 67.615,1400 0.272,1401 18.195,1402 0.991,1403 106,1404 369.561,1405 173.769,1406 401.371,1407 529.06,1408 366,1409 130,1410 336.758,1411 205.1,1412 383.579,1413 573.4,1414 360,1415 4}
{0 CHEMBL514966,1 1.327,2 12.885,3 4.875,4 23.765,5 106.252,6 7.05,7 0.643,8 3.954,9 4.065,10 3.479,11 3.555,12 5.046,13 3.511,14 4.459,15 4.631,16 3.767,17 3.909,18 5.472,19 3.846,20 4.661,21 4.838,22 3.827,23 4.046,24 5.699,25 3.947,26 4.817,27 5.066,28 3.711,29 4.004,30 5.789,31 3.875,32 4.685,33 4.916,34 3.605,35 3.958,36 5.634,37 3.819,38 4.682,39 4.944,40 3.508,41 3.908,42 5.551,43 3.74,44 4.529,45 4.785,46 3.421,47 3.744,48 5.44,49 3.599,50 4.322,51 4.532,52 3.341,53 3.587,54 5.343,55 3.479,56 0.031,57 0.615,58 10.17,59 4.733,60 7.81,61 6.222,62 0.16,63 1.014,64 18.415,65 7.412,66 16.554,67 9.86,68 0.112,69 1.207,70 22.435,71 9.776,72 25.886,73 13.066,74 0.255,75 1.386,76 28.519,77 11.001,78 46.793,79 15.086,80 0.186,81 1.23,82 24.226,83 9.912,84 35.021,85 13.606,86 0.233,87 1.204,88 24.555,89 10.42,90 34.699,91 14.708,92 0.189,93 1.022,94 21.182,95 8.758,96 30.053,97 12.171,98 0.147,99 0.825,100 16.869,101 6.815,102 28.134,103 9.011,104 11,105 37,106 0.224,107 0.481,108 0.622,109 0.746,110 0.797,111 0.804,112 3.303,113 0.928,114 -5.51,115 -5.38,116 -5.03,121 46.9,126 2,127 2,144 13,145 4,146 1,159 1,176 16,180 6,187 17,192 10,200 12,206 9,214 9,219 3,227 13,231 1,232 1,239 14,243 1,244 3,251 12,256 4,264 8,269 4,277 5,281 976,282 17.731,283 17.731,284 17.731,285 17.731,286 17.731,287 15.504,288 16.379,289 10.65,290 17.985,291 13.755,292 13.755,293 13.755,294 13.755,295 13.755,296 10.424,297 20.792,298 5.011,299 14.045,300 4.287,301 2.764,302 1.926,303 1.189,304 0.888,305 0.847,306 3.987,311 1,312 1,313 712,314 3.391,318 297.078,325 2.133,326 16.052,328 1,329 0.75,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.86,337 54.5,338 335,339 4.344,340 3.582,341 6.393,342 4.004,343 2.986,344 3.94,345 0.995,346 9.678,347 3.037,348 3.991,349 3.036,350 5.584,351 3.659,352 2.688,353 3.568,354 0.86,355 7.674,356 2.614,357 3.915,358 2.825,359 5.419,360 3.513,361 2.531,362 3.454,363 0.359,364 7.112,365 2.494,366 3.742,367 2.675,368 5.309,369 3.37,370 2.396,371 3.122,373 6.838,374 2.321,375 3.349,376 2.238,377 5.076,378 3.013,379 2.054,380 2.602,382 5.951,383 1.963,384 3.108,385 2.011,386 4.628,387 2.788,388 1.819,389 2.246,391 4.953,392 1.754,393 2.786,394 1.832,395 3.712,396 2.381,397 1.39,398 1.868,400 2.998,401 1.375,402 2.509,403 1.486,404 3.563,405 2,406 1,407 1.5,409 2.323,410 1,411 2.5,412 1.065,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.5,421 1,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1,431 3.247,432 1.984,433 0.954,434 1.372,436 2.136,437 0.97,438 1.641,439 1,440 2.889,441 1.338,442 0.45,443 0.517,445 0.698,446 0.395,447 1.293,448 0.402,449 2.704,450 1.021,451 0.038,452 0.045,454 0.098,455 0.037,456 1.002,457 0.073,458 2.314,459 0.708,460 -0.275,461 -0.325,463 -0.63,464 -0.268,465 0.811,466 -0.106,467 2.087,468 0.401,469 -0.573,470 -0.733,472 -1.099,473 -0.545,474 12.567,475 0.483,476 0.52,477 0.02,478 35.5,479 1.365,480 20,481 0.769,482 15.5,483 0.596,484 17.827,485 0.686,486 27.033,487 0.552,488 25.982,489 0.999,490 7.501,491 0.288,492 5.151,493 0.198,494 0.106,496 0.271,501 0.718,502 1.178,503 0.829,504 1.055,505 0.601,506 0.968,507 1.231,508 0.866,509 0.973,510 0.838,511 0.729,512 0.858,513 0.901,514 1.295,515 1.08,516 1.252,517 0.821,518 1.197,519 1.164,520 0.972,521 0.987,522 0.929,523 1.333,524 0.935,525 0.934,526 1.037,527 1.088,528 1.05,529 1.279,530 1.076,531 0.321,532 0.96,533 0.879,534 1.001,535 0.458,536 0.999,537 0.656,538 0.915,539 0.856,540 0.939,541 0.915,542 0.925,543 1.375,544 1.079,545 1.077,546 1.056,547 1.52,548 1.044,549 5,550 0.116,551 2.444,552 1.563,553 1.156,554 0.66,555 0.524,556 0.236,557 0.156,558 0.174,559 8966,560 21590,561 2.059,562 46.9,564 23,572 1.684,573 1.95,574 3.642,575 -0.874,582 65.037,583 1.327,584 2.851,585 3.689,586 4.426,587 4.727,588 4.768,589 3.123,590 3.719,591 4.668,592 3.802,593 1235.52,594 8.054,595 16284.3,597 1,600 275.121,601 1.3,602 4.642,603 0.179,604 0.007,605 0.066,606 0.042,607 0.036,608 0.023,609 0.02,610 0.01,611 0.007,612 0.01,613 0.4,614 0.5,615 0.88,616 0.721,617 130.646,618 0.022,619 -0.111,620 0.053,621 -0.045,622 -0.033,623 -0.002,624 -0.149,625 0.214,626 -0.019,627 0.13,628 -0.038,629 0.085,630 -0.018,631 -0.292,632 -0.148,633 -0.259,634 0.066,635 -0.225,636 -0.068,637 0.018,638 0.018,639 0.032,640 -0.009,641 0.034,642 -0.087,643 -0.041,644 -0.124,645 -0.073,646 -0.141,647 -0.097,648 0.228,649 -0.011,650 0.077,651 -0.005,652 0.132,653 0.017,654 0.137,655 0.036,656 0.122,657 0.05,658 0.058,659 0.077,660 -0.102,661 -0.11,662 -0.083,663 -0.077,664 -0.117,665 -0.08,666 1.642,667 5.569,668 0.692,669 27.964,670 0.989,671 1.112,672 4.278,673 18.299,674 0.679,675 3.367,676 3.638,677 3.85,678 4.025,679 4.205,680 4.174,681 4.263,682 4.263,683 4.234,684 4.344,685 7.352,686 0.638,687 345.47,688 3.367,689 4.875,690 5.694,691 6.535,692 7.366,693 8.211,694 9.047,695 9.895,696 10.733,697 11.582,698 2,701 1,715 13,720 5,722 18,727 1,739 1,741 49,743 19,744 3,745 28,747 51,748 23,749 18,750 5,751 13,752 1,756 3,757 3,772 19,773 4,777 1,782 1,786 1,793 23,794 3,796 3,802 1,808 1,809 2,829 3,855 1,859 3,864 2,868 26,876 2,878 1,881 1,893 4.1,896 1,898 1,901 13.333,902 9.367,903 5.889,904 2.747,907 3.015,908 1.432,909 0.973,910 5.955,911 10.003,912 3.664,913 4.212,914 4.747,915 5.238,916 5.748,917 5.792,918 6.075,919 6.252,920 6.491,921 6.889,922 0.889,923 37,924 9.592,926 3.919,927 0.026,929 7.635,931 18.507,933 14.682,936 2.135,937 55.5,939 1,940 1,941 270.735,942 169.801,943 3.124,945 36.145,948 169.801,949 306.88,950 3.124,951 19.279,952 4.211,953 123.191,954 30.278,955 32.11,957 270.735,959 270.735,960 172.926,961 36.145,964 270.735,965 36.145,968 7.336,969 165.59,972 270.735,973 39.269,974 169.801,977 270.735,978 27.331,979 145.595,981 36.145,982 270.735,983 39.269,984 169.801,986 0.568,987 0.328,988 0.168,989 0.089,990 16,991 7,992 0.137,993 7,995 1,996 3.942,997 201.732,999 18,1000 110.211,1005 18.063,1006 8.572,1007 4.893,1009 39.269,1010 25.465,1015 4.596,1018 479.806,1019 38,1024 12.569,1028 0.025,1031 48.476,1032 54.484,1034 0.236,1035 0.508,1036 0.657,1037 0.788,1038 0.842,1039 0.849,1040 4.856,1041 1,1042 5.645,1043 2.998,1044 4.317,1045 4.898,1046 1.51,1047 6.375,1048 4.287,1049 6.035,1050 1,1051 7.155,1052 2.323,1053 3.761,1054 4.46,1055 0.325,1056 7.106,1057 3.723,1058 7.307,1059 1,1060 8.761,1061 2.275,1062 5.838,1063 7.008,1064 1.266,1065 10.147,1066 5.791,1067 8.613,1068 0.954,1069 10.422,1070 2.275,1071 6.089,1072 7.359,1073 0.504,1074 11.692,1075 6.051,1076 9.948,1077 0.45,1078 12.121,1079 2.136,1080 7.607,1081 9.364,1082 1.104,1083 14.237,1084 7.565,1085 11.303,1086 0.038,1087 13.845,1088 0.698,1089 8.245,1090 10.103,1091 0.585,1092 16.144,1093 8.224,1094 12.674,1095 -0.275,1096 15.588,1097 0.098,1098 9.515,1099 11.841,1100 0.988,1101 18.512,1102 9.495,1103 2.986,1104 -0.573,1105 17.346,1106 -0.63,1107 10.355,1108 12.804,1109 0.622,1110 20.598,1111 10.363,1112 2.688,1113 9.678,1114 19.116,1115 -1.099,1116 11.51,1117 14.389,1118 0.901,1119 22.9,1120 11.526,1121 2.531,1122 7.674,1123 20.898,1124 3.94,1125 12.457,1126 15.491,1127 0.639,1128 25.076,1129 12.503,1130 2.396,1131 7.112,1132 22.688,1133 3.568,1134 13.56,1135 16.984,1136 0.836,1137 27.354,1138 13.62,1139 2.054,1140 6.838,1141 24.486,1142 3.454,1143 14.566,1144 18.177,1145 0.646,1146 29.575,1147 14.655,1148 1.819,1149 5.951,1150 26.292,1151 3.122,1152 15.648,1153 19.614,1154 0.787,1155 31.845,1156 15.756,1157 1.39,1158 4.953,1159 28.104,1160 2.602,1161 16.686,1162 20.866,1163 0.648,1164 34.089,1165 16.821,1166 8670,1167 13569,1168 18.781,1169 33.29,1170 41.202,1171 42.102,1172 41.992,1173 40.604,1174 40.61,1175 54.468,1176 4.427,1177 110.014,1178 39.917,1179 5.21,1180 5.582,1181 6.195,1182 5.005,1183 4.986,1184 6.94,1185 1.855,1186 16.43,1187 5.037,1188 11.499,1189 1.471,1190 1.504,1191 1.5,1192 1.45,1193 1.45,1194 1.945,1195 0.158,1196 3.929,1197 1.426,1198 4.015,1199 4.039,1200 3.962,1201 3.948,1202 7.427,1203 3.948,1204 3.911,1205 3.941,1206 3.84,1207 3.846,1208 4.86,1209 3.84,1210 3.838,1211 3.864,1212 3.772,1213 3.774,1214 4.761,1215 3.77,1216 3.518,1217 3.59,1218 3.402,1219 3.323,1220 4.689,1221 3.332,1222 3.303,1223 3.344,1224 3.196,1225 3.089,1226 4.337,1227 3.106,1228 3.11,1229 3.162,1230 2.938,1231 2.903,1232 4.181,1233 2.897,1234 2.965,1235 3.053,1236 2.771,1237 2.8,1238 3.674,1239 2.781,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.155,1247 0.128,1248 0.228,1249 0.143,1250 0.107,1251 4.344,1252 0.141,1253 3.582,1254 0.036,1255 6.393,1256 0.346,1257 4.004,1258 0.108,1259 2.986,1260 3.94,1261 0.995,1262 9.678,1263 3.037,1264 1.974,1265 1.954,1266 2.076,1267 2.062,1268 1.235,1269 2.068,1270 1.912,1271 1.882,1272 2.034,1273 2.003,1274 1.141,1275 2.014,1276 1.837,1277 1.813,1278 1.956,1279 1.927,1280 1.056,1281 1.939,1282 1.479,1283 1.407,1284 1.725,1285 1.707,1286 0.845,1287 1.718,1288 1.232,1289 1.188,1290 1.571,1291 1.522,1292 0.581,1293 1.536,1294 1.092,1295 1.029,1296 1.376,1297 1.296,1298 0.536,1299 1.311,1300 0.999,1301 0.914,1302 1.334,1303 1.221,1304 0.494,1305 1.272,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 4.043,1314 5.323,1316 6.799,1318 8.353,1320 9.945,1322 3.716,1328 1.735,1330 5.134,1333 2.26,1340 31.246,1341 65.037,1342 139.69,1343 180.75,1344 216.856,1345 231.611,1346 233.611,1347 41.271,1348 6.987,1349 29.54,1350 29.54,1351 18,1352 12.143,1353 4.322,1354 3.459,1355 44.722,1356 118,1357 110,1358 0.188,1359 194.727,1360 338.86,1361 466.894,1362 10280,1364 18.355,1365 0.706,1366 0.584,1367 18.355,1368 15.183,1369 12.652,1370 0.452,1371 0.309,1372 8.565,1373 12.325,1374 8.244,1375 6.942,1376 12.652,1377 8.657,1378 10.91,1379 0.295,1380 0.173,1381 10.91,1382 6.412,1383 9.043,1384 0.197,1385 0.094,1386 9.043,1387 4.316,1388 7.114,1389 0.129,1390 0.053,1391 7.114,1392 2.933,1393 5.461,1394 0.083,1395 0.029,1396 5.461,1397 1.915,1398 0.306,1399 78.303,1400 0.231,1401 25.843,1402 0.488,1403 130,1404 347.116,1405 136.731,1406 341.039,1407 463.15,1408 320,1409 148,1410 328.942,1411 155.481,1412 343.757,1413 491.59,1414 319,1415 5.74}
{0 CHEMBL518500,1 2.171,2 6.5,3 2.576,4 6.636,5 67.309,6 12.779,7 0.5,8 3.488,9 3.518,10 3.626,11 3.088,12 4.957,13 3.143,14 4.012,15 4.063,16 4.025,17 3.469,18 5.833,19 3.542,20 4.248,21 4.317,22 4.243,23 3.551,24 6.237,25 3.659,26 4.265,27 4.321,28 4.24,29 3.429,30 6.385,31 3.578,32 4.211,33 4.257,34 4.162,35 3.186,36 6.638,37 3.428,38 3.883,39 3.942,40 3.741,41 2.852,42 6.372,43 3.102,44 3.465,45 3.613,46 3.054,47 2.512,48 5.297,49 2.673,50 3.26,51 3.486,52 2.421,53 1.87,54 5.035,55 2.069,56 0.444,57 0.743,58 1.601,59 2.646,60 99.044,61 1.255,62 0.787,63 1.19,64 1.517,65 3.975,66 166.943,67 2.097,68 1.261,69 1.6,70 7.076,71 5.707,72 268.055,73 3.337,74 1.363,75 1.556,76 9.659,77 6.176,78 321.149,79 2.993,80 1.613,81 1.416,82 8.1,83 5.363,84 368.676,85 2.082,86 1.118,87 0.929,88 2.392,89 3.156,90 226.448,91 1.463,92 0.764,93 0.774,94 2.827,95 2.566,96 126.494,97 1.618,98 0.729,99 0.482,100 4.658,101 2.122,102 124.699,103 1.202,104 50,105 38,106 0.417,107 0.681,108 0.755,109 0.814,110 0.828,111 0.828,112 3.15,113 0.886,114 -2.98,115 -2.98,116 -2.88,121 46.2,144 4,145 1,146 4,149 2,160 1,176 4,179 4,180 2,187 4,192 7,200 2,205 3,206 8,219 3,231 3,232 1,244 2,256 2,281 568,282 14.015,283 14.015,284 14.015,285 14.015,286 14.015,287 12.019,288 11.428,289 7.689,290 14.443,291 11.733,292 11.733,293 11.733,294 11.733,295 11.733,296 8.677,297 11.187,298 3.558,299 12.565,300 2.53,301 1.154,302 0.769,303 0.462,304 0.385,305 0.385,306 3.812,311 1,312 1,313 300,314 2.739,317 39.399,318 115.016,321 78.69,325 0.955,326 74.64,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 54,338 143,339 5.073,340 4.789,341 7.909,342 4.643,343 3.706,344 4.883,345 1.058,346 14.869,347 3.456,348 4.494,349 3.655,350 6.811,351 4.027,352 3.105,353 4.23,355 10.955,356 2.848,357 3.954,358 3.441,359 6.1,360 3.471,361 2.47,362 3.499,364 8.434,365 2.455,366 3.637,367 3.006,368 5.91,369 3.189,370 2.303,371 3,373 7.519,374 2.074,375 3.581,376 2.619,377 5.686,378 3.174,379 2.246,380 2.875,382 7.063,383 2.01,384 3.206,385 2.237,386 5.074,387 2.721,388 1.771,389 2.451,391 5.294,392 1.658,393 2.743,394 1.86,395 3.926,396 2.272,397 1.296,398 1.836,400 2.955,401 1.256,402 2.554,403 1.678,404 3.777,405 2.03,406 1.03,407 1.533,409 2.658,410 1.026,411 1.819,412 1.323,413 3.46,414 1.393,415 0.618,416 0.686,418 1.416,419 0.468,420 1.781,421 1.12,422 3.335,423 1.357,424 0.407,425 0.52,427 1.09,428 0.373,429 1,430 0.464,431 3.068,432 0.469,433 -0.455,434 -0.58,436 -1.249,437 -0.402,438 0.924,439 0.238,440 2.75,441 0.436,442 -0.56,443 -0.666,445 -1.378,446 -0.461,447 0.912,448 0.042,449 2.329,450 0.182,451 -0.599,452 -0.8,454 -1.43,455 -0.552,456 0.602,457 -0.496,458 2.136,459 0.11,460 -0.886,461 -1.31,463 -2.151,464 -0.883,465 0.544,466 -0.595,467 2,469 -1,470 -1.5,472 -3,473 -1,474 9.776,475 0.444,476 0.908,477 0.041,478 31.75,479 1.443,480 17,481 0.773,482 14.75,483 0.67,484 14.109,485 0.641,486 24.424,487 0.939,488 27.307,489 1.241,490 6.473,491 0.294,492 3.791,493 0.172,494 0.219,495 0.085,496 0.45,499 2,500 2,501 0.602,502 0.907,503 0.778,504 1.221,505 0.654,506 0.859,507 0.624,508 0.792,509 0.727,510 0.828,511 0.68,512 0.839,513 0.754,514 0.766,515 0.881,516 1.071,517 0.842,518 0.935,519 0.926,520 0.85,521 1.145,522 1.231,523 1.021,524 1.014,525 1.032,526 1.012,527 0.93,528 1.054,529 1.1,530 0.86,531 0.927,532 1.207,533 0.577,534 0.722,535 0.884,536 0.918,537 1.519,538 1.596,539 1.14,540 1.087,541 1.266,542 1.532,543 2.193,544 1.524,545 2.013,546 0.763,547 1.84,548 1.466,549 5.5,551 4.222,552 3.896,553 2.286,554 1.289,555 0.545,556 0.212,557 0.072,559 3759,560 20770,561 1.954,562 15.4,564 4,572 1.657,573 1.725,574 2.72,575 -0.538,579 1,582 56.437,583 2.171,584 3.547,585 3.931,586 4.239,587 4.316,588 4.316,589 2.117,590 4.005,591 4.437,592 2.833,593 654.475,594 7.681,595 6828.02,597 1,599 1,600 122.211,601 1.742,602 4.318,603 0.229,605 0.111,606 0.089,607 0.056,608 0.035,609 0.02,610 0.015,611 0.012,613 0.567,614 0.5,615 1,616 0.728,617 96.269,618 0.008,619 -0.098,620 0.125,621 -0.174,622 -0.038,623 -0.047,624 0.072,625 0.014,626 0.008,627 0.063,628 0.027,629 -0.063,630 0.1,631 0.13,632 0.133,633 -0.057,634 0.024,635 0.022,636 -0.006,637 0.013,638 -0.004,639 -0.147,640 -0.035,641 -0.04,642 0.102,643 -0.008,644 0.045,645 -0.047,646 0.096,647 0.026,648 0.21,649 -0.168,650 0.024,651 0.032,652 0.246,653 -0.143,654 -0.394,655 -0.415,656 -0.23,657 -0.264,658 -0.286,659 -0.351,660 -0.845,661 -0.203,662 -0.694,663 0.153,664 -0.651,665 0.032,666 5.601,667 5.732,668 0.682,669 11.777,670 1.114,671 1.16,672 1.747,673 3.053,674 0.733,675 3.219,676 3.664,677 4.025,678 4.357,679 4.605,680 4.615,681 4.663,682 4.762,683 4.644,684 4.454,685 4.261,686 0.788,687 332.25,688 3.219,689 4.828,690 5.74,691 6.691,692 7.627,693 8.581,694 9.526,695 10.482,696 11.43,697 12.387,698 7.7,705 1,708 1,715 4,716 1,720 7,722 12,740 4,741 26,743 15,744 1,745 24,747 28,748 12,749 11,750 2,751 4,752 1,756 3,757 4,772 12,777 3,780 1,782 3,786 1,790 1,791 4,793 4,794 9,796 10,797 1,802 2,808 0.667,809 3,822 1,828 1,829 2,832 1,859 2,862 1,866 4,868 22,872 1,881 1,892 4,893 11.5,896 3,901 12.75,902 4.971,903 4.639,904 1.39,907 2.554,908 1.367,909 1.034,910 3.064,911 9.506,912 3.526,913 4.248,914 4.84,915 5.447,916 5.976,917 6.152,918 6.416,919 6.765,920 7.007,921 7.065,922 1,923 44,924 9.132,926 5.287,927 0.026,929 9.148,931 13.902,933 11.911,936 3.648,937 80.25,941 47.084,942 91.537,943 18.304,945 69.458,946 59.84,947 5.807,948 85.729,949 116.542,950 78.145,952 1.519,953 43.712,954 90.948,955 55.655,956 47.305,957 47.084,959 47.084,960 104.033,961 129.298,962 5.807,964 77.005,965 69.458,966 29.92,968 1.519,969 85.729,970 22.593,972 106.925,973 87.762,974 91.537,976 5.807,977 47.084,978 47.824,979 39.424,981 146.084,982 47.084,983 147.602,984 91.537,986 0.617,987 0.392,988 0.216,989 0.122,990 21,991 11,992 0.036,993 1,994 1,995 1.133,996 3.057,997 191.328,998 0.133,999 15,1000 88.107,1004 1,1005 14.643,1006 4.604,1007 1.887,1009 147.602,1010 4.759,1011 2.311,1015 -10.825,1018 286.223,1019 33,1022 -4.684,1024 36.545,1028 -1.321,1031 28.964,1032 30.149,1034 0.462,1035 0.755,1036 0.836,1037 0.902,1038 0.918,1039 0.918,1040 4.828,1041 1.03,1042 5.832,1043 2.955,1044 4.344,1045 4.934,1046 1.176,1047 6.83,1048 4.209,1049 6.134,1050 0.618,1051 7.528,1052 2.658,1053 4.369,1054 5.223,1056 8.247,1057 4.135,1058 7.542,1059 0.407,1060 9.336,1061 1.416,1062 6.168,1063 7.348,1064 1.255,1065 11.426,1066 5.898,1067 8.991,1068 -0.455,1069 11.209,1070 1.09,1071 6.967,1072 8.393,1074 13.652,1075 6.593,1076 10.474,1077 -0.56,1078 13.124,1079 -1.249,1080 8.374,1081 10.118,1082 1.338,1083 16.467,1084 7.959,1085 11.983,1086 -0.599,1087 15.068,1088 -1.378,1089 9.478,1090 11.466,1092 18.995,1093 8.969,1094 13.513,1095 -0.886,1096 17.035,1097 -1.43,1098 10.783,1099 13.075,1100 1.422,1101 21.716,1102 10.22,1103 3.706,1104 -1,1105 19.02,1106 -2.151,1107 12.004,1108 14.548,1110 24.352,1111 11.359,1112 3.105,1113 14.869,1114 21.019,1115 -3,1116 13.291,1117 16.123,1118 1.51,1119 27.051,1120 12.583,1121 2.47,1122 10.955,1123 23.03,1124 4.883,1125 14.557,1126 17.649,1128 29.725,1129 13.774,1130 2.303,1131 8.434,1132 25.051,1133 4.23,1134 15.845,1135 19.217,1136 1.599,1137 32.42,1138 14.996,1139 2.246,1140 7.519,1141 27.08,1142 3.499,1143 17.131,1144 20.768,1146 35.109,1147 16.209,1148 1.771,1149 7.063,1150 29.116,1151 3,1152 18.425,1153 22.337,1154 1.69,1155 37.805,1156 17.435,1157 1.296,1158 5.294,1159 31.157,1160 2.875,1161 19.719,1162 23.901,1164 40.499,1165 18.66,1166 3824,1167 9131,1168 14.74,1169 19.057,1170 38.184,1171 41.297,1172 40.641,1173 37.969,1174 37.905,1175 51.027,1176 2.117,1177 124.508,1178 35.25,1179 5.926,1180 6.789,1181 7.586,1182 5.704,1183 5.706,1184 7.883,1185 2.117,1186 23.515,1187 5.456,1188 14.123,1189 1.591,1190 1.721,1191 1.693,1192 1.582,1193 1.579,1194 2.126,1195 0.088,1196 5.188,1197 1.469,1198 4.166,1199 4.145,1200 4.766,1201 4.136,1202 8.255,1203 4.065,1204 3.855,1205 3.882,1206 3.89,1207 3.706,1208 8.225,1209 3.738,1210 3.555,1211 3.54,1212 3.684,1213 3.479,1214 8.167,1215 3.406,1216 3.156,1217 3.136,1218 3.177,1219 2.958,1220 8.156,1221 2.976,1222 3.002,1223 3.034,1224 3.047,1225 2.724,1226 7.716,1227 2.787,1228 2.761,1229 2.811,1230 2.775,1231 2.53,1232 7.426,1233 2.545,1234 2.696,1235 2.735,1236 2.571,1237 2.486,1238 6.999,1239 2.514,1240 2.381,1241 2.423,1242 2.305,1243 2.124,1244 4.675,1245 2.169,1246 0.211,1247 0.2,1248 0.33,1249 0.193,1250 0.154,1251 5.073,1252 0.203,1253 4.789,1254 0.044,1255 7.909,1256 0.62,1257 4.643,1258 0.144,1259 3.706,1260 4.883,1261 1.058,1262 14.869,1263 3.456,1264 1.922,1265 1.931,1266 1.973,1267 1.992,1268 1.149,1269 2.01,1270 1.803,1271 1.786,1272 1.767,1273 1.966,1274 0.921,1275 1.933,1276 1.44,1277 1.481,1278 1.244,1279 1.625,1280 0.533,1281 1.63,1282 1.068,1283 1.059,1284 1.082,1285 1.264,1286 0.243,1287 1.242,1288 0.77,1289 0.751,1290 0.926,1291 1.086,1292 0.044,1293 1.004,1294 0.768,1295 0.709,1296 0.744,1297 0.975,1299 0.972,1300 0.472,1301 0.441,1302 0.429,1303 0.808,1305 0.712,1306 0.166,1307 0.15,1308 0.389,1309 0.513,1311 0.505,1312 3.892,1314 5.303,1315 2.398,1316 6.923,1317 5.043,1318 8.638,1319 7.38,1320 10.404,1324 53.775,1333 -0.309,1340 20.488,1341 56.437,1342 92.211,1343 102.211,1344 110.211,1345 112.211,1346 112.211,1347 77.847,1348 6.952,1349 67.34,1350 75.72,1351 17,1352 12.874,1353 4,1354 3.322,1355 33.992,1356 55,1357 48,1358 0.317,1359 124.708,1360 229.96,1361 296.047,1362 7826,1363 15.4,1364 16.232,1365 0.738,1366 0.508,1367 13.001,1368 11.165,1369 10.264,1370 0.428,1371 0.295,1372 5.599,1373 8.791,1374 5.48,1375 4.443,1376 9.41,1377 7.092,1378 10.247,1379 0.27,1380 0.158,1381 9.422,1382 5.996,1383 9.044,1384 0.164,1385 0.086,1386 8.37,1387 4.739,1388 7.658,1389 0.099,1390 0.048,1391 7.975,1392 3.659,1393 6.342,1394 0.064,1395 0.025,1396 6.209,1397 2.456,1398 0.458,1399 75.397,1400 0.26,1401 20.501,1402 1.012,1403 124,1404 731.802,1405 191.255,1406 609.834,1407 776.29,1408 554,1409 155,1410 510.229,1411 236.594,1412 523.755,1413 788.31,1414 489,1415 4}
{0 CHEMBL51931,1 1.281,2 5.5,3 2.808,4 7.887,5 61.151,6 8.676,7 0.667,8 3.303,9 3.37,10 3.012,11 3.042,12 4.547,13 3.022,14 3.77,15 3.854,16 3.39,17 3.431,18 5.017,19 3.404,20 4.041,21 4.169,22 3.541,23 3.539,24 5.482,25 3.511,26 3.996,27 4.127,28 3.393,29 3.399,30 5.398,31 3.373,32 3.87,33 4.017,34 3.062,35 3.127,36 5.315,37 3.086,38 3.52,39 3.722,40 2.273,41 2.611,42 4.801,43 2.489,44 2.854,45 3.15,46 1.078,47 1.834,48 3.714,49 1.589,50 1.861,51 2.224,52 0.179,53 0.851,54 2.197,55 0.59,56 0.01,57 0.225,58 2.989,59 1.903,60 4,61 2.176,62 0.02,63 0.375,64 5.208,65 3.172,66 8.666,67 3.626,68 0.155,69 0.541,70 9.072,71 4.587,72 41.999,73 5.449,74 0.092,75 0.524,76 8.894,77 4.399,78 22.667,79 4.852,80 0.166,81 0.481,82 8.888,83 3.981,84 37,85 3.967,86 0.158,87 0.367,88 7.447,89 3.07,90 35.334,91 3.23,92 0.073,93 0.209,94 4.718,95 1.83,96 16,97 2.404,98 0.019,99 0.079,100 1.984,101 0.725,102 4,103 1.125,104 5,105 26,106 0.252,107 0.41,108 0.508,109 0.606,110 0.672,111 0.705,112 2.858,113 0.844,114 -4.12,115 -4.07,116 -3.85,121 58.3,144 8,145 4,159 2,176 13,180 2,187 16,191 1,192 6,200 14,206 8,214 10,219 6,227 8,232 2,239 4,251 1,281 176,282 10.966,283 10.966,284 10.966,285 10.966,286 10.966,287 9.406,288 1.747,289 6.406,290 10.919,291 8.857,292 8.857,293 8.857,294 8.857,295 8.857,296 6.417,297 0.589,298 2.994,299 8.746,300 3.304,301 2.5,302 2,303 1.5,304 1.167,305 1,306 3.532,311 1,312 1,313 192,314 1.732,318 75.16,322 84.372,325 0.75,326 19.319,329 1,330 0.83,331 1,332 0.4,334 1,335 1,336 0.75,337 34,338 88,339 4.653,340 3.879,341 6.983,342 4.328,343 3.311,344 4.321,346 11.804,347 3.364,348 3.918,349 2.983,350 6.033,351 3.507,352 2.499,353 3.486,355 8.419,356 2.518,357 3.784,358 2.881,359 5.927,360 3.439,361 2.401,362 3.125,364 7.908,365 2.481,366 2.977,367 2.135,368 4.172,369 2.508,370 1.506,371 2.186,373 3.411,374 1.512,375 2.973,376 1.526,377 4.106,378 2.507,379 1.496,380 2.158,382 3.409,383 1.507,384 2.592,385 1.323,386 3.597,387 2.095,388 1.077,389 1.597,391 2.664,392 1.093,393 2.5,394 1.309,395 3.545,396 2,397 1,398 1.5,400 2.449,401 1,402 2.204,403 1,404 3.164,405 1.539,406 0.425,407 0.71,409 0.989,410 0.469,411 1.107,412 0.077,413 2.605,414 0.717,415 -0.298,416 -0.393,418 -0.733,419 -0.302,420 0.746,421 -0.536,422 2,423 0.28,424 -0.757,425 -1.145,427 -1.795,428 -0.784,429 0.629,430 -0.556,431 2,432 0.147,433 -0.863,434 -1.249,436 -2.072,437 -0.869,438 0.5,439 -0.932,440 2,442 -1,443 -1.5,445 -2.449,446 -1,447 0.184,448 -1,449 1.592,450 -0.247,451 -1.348,452 -2,454 -3.502,455 -1.487,456 -0.345,457 -1.505,458 1.251,459 -0.634,460 -1.662,461 -2.208,463 -5,464 -1.714,465 -0.5,466 -1.784,467 1.233,468 -0.786,469 -1.786,470 -2.222,472 -5.274,473 -1.788,474 7.667,475 0.479,476 0.384,477 0.024,478 24.5,479 1.531,480 15,481 0.938,482 9.5,483 0.594,484 7.943,485 0.496,486 15.133,487 0.631,488 15.524,489 0.97,490 4.99,491 0.312,492 2.798,493 0.175,494 0.087,496 0.391,501 0.445,502 0.758,503 0.603,504 0.757,505 0.493,506 0.721,507 0.551,508 0.939,509 0.747,510 0.937,511 0.602,512 0.893,513 0.619,514 0.932,515 0.718,516 0.924,517 0.638,518 0.858,519 1.133,520 1.139,521 0.977,522 1.119,523 1.106,524 1.04,525 1.707,526 1.14,527 1.347,528 1.133,529 1.654,530 1.162,531 1.738,532 1.107,533 1.626,534 1.136,535 1.714,536 1.309,537 0.915,538 0.925,539 1.308,540 0.973,541 0.922,542 1.163,543 0.054,544 0.655,545 0.633,546 0.687,547 0.065,548 0.753,549 2,551 2.222,552 1.625,553 1.271,554 0.417,555 0.158,559 1744,560 5184,561 2.135,562 33.3,564 8,572 1.561,573 2,574 2.522,575 -0.856,579 1,582 30.736,583 1.281,584 2.085,585 2.585,586 3.085,587 3.418,588 3.585,589 1.811,590 3,591 3.979,592 2.509,593 301.126,594 6.745,595 2536.17,597 1,600 110.039,601 1.406,602 3.933,603 0.111,605 0.085,606 0.056,607 0.053,608 0.026,609 0.026,613 0.358,614 1,615 1,616 0.625,617 61.369,619 0.055,620 0.028,621 0.055,622 -0.042,623 0.048,624 -0.001,625 -0.102,626 -0.052,627 -0.102,628 -0.045,629 -0.09,630 0.227,631 -0.009,632 0.17,633 -0.001,634 0.213,635 0.057,636 -0.062,637 -0.196,638 -0.042,639 -0.185,640 -0.031,641 -0.126,642 -0.261,643 -0.138,644 -0.301,645 -0.151,646 -0.209,647 -0.216,648 -0.33,649 -0.034,650 -0.427,651 -0.066,652 -0.315,653 -0.221,654 -0.069,655 0.23,656 0.09,657 0.23,658 -0.096,659 0.2,660 0.309,661 0.595,662 1.004,663 0.663,664 0.273,665 0.9,666 2.075,667 4.83,668 0.875,669 7,670 1.008,671 1.087,672 2.892,673 8.365,674 0.748,675 2.944,676 3.296,677 3.664,678 3.97,679 4.248,680 4.263,681 4.304,682 4.29,683 4.29,684 3.97,685 3.454,686 0.731,687 208.22,688 2.944,689 4.489,690 5.38,691 6.286,692 7.197,693 8.11,694 9.025,695 9.941,696 10.857,697 11.773,715 8,720 4,722 12,727 2,741 24,743 14,744 2,745 18,747 26,748 14,749 12,750 4,751 8,752 2,756 3,757 6,772 14,777 2,782 2,786 2,790 1,793 8,794 2,796 2,808 0.333,809 2,829 3,833 2,859 1,868 16,893 8.3,896 2,901 8,902 4.5,903 3.5,904 1.458,907 2.722,908 1.419,909 1.044,910 1.777,911 9.222,912 3.296,913 3.912,914 4.59,915 5.186,916 5.773,917 6.012,918 6.404,919 6.679,920 6.988,921 7.097,922 0.75,923 29,924 5.936,926 2.669,927 0.026,929 8,931 11.06,933 9.376,936 2.5,937 40,938 0.002,941 94.169,942 98.819,945 50.29,948 98.819,949 144.459,953 75.81,954 60.557,955 12.742,957 94.169,959 94.169,960 98.819,961 50.29,964 94.169,965 50.29,969 98.819,972 94.169,973 50.29,974 98.819,977 94.169,978 23.009,979 75.81,981 50.29,982 94.169,983 50.29,984 98.819,986 0.586,987 0.373,988 0.217,989 0.122,990 15,991 6,994 2,995 1.286,996 2.759,997 119.023,998 0.286,999 14,1000 44,1005 9.05,1006 3.142,1007 1.171,1009 50.29,1010 14.446,1015 2.711,1018 243.278,1019 26,1024 23.659,1028 -0.816,1031 24.189,1032 26.08,1034 0.279,1035 0.455,1036 0.564,1037 0.673,1038 0.746,1039 0.782,1040 4.522,1041 0.425,1042 5.38,1043 2.449,1044 3.97,1045 4.595,1047 6.271,1048 4,1049 5.748,1050 -0.298,1051 6.989,1052 0.989,1053 3.611,1054 4.369,1056 7.338,1057 3.674,1058 7.071,1059 -0.757,1060 8.709,1061 -0.733,1062 5.624,1063 6.819,1065 10.525,1066 5.683,1067 8.437,1068 -0.863,1069 10.493,1070 -1.795,1071 6.133,1072 7.452,1074 12.412,1075 6.229,1076 9.839,1077 -1,1078 12.316,1079 -2.072,1080 7.617,1081 9.343,1083 15.128,1084 7.709,1085 11.268,1086 -1.348,1087 14.165,1088 -2.449,1089 8.514,1090 10.383,1092 17.34,1093 8.637,1094 12.718,1095 -1.662,1096 16.031,1097 -3.502,1098 9.802,1099 12.038,1101 19.9,1102 9.928,1103 3.311,1104 -1.786,1105 17.91,1106 -5,1107 10.87,1108 13.282,1110 22.253,1111 11.02,1112 2.499,1113 11.804,1114 19.799,1115 -5.274,1116 12.09,1117 14.83,1119 24.758,1120 12.249,1121 2.401,1122 8.419,1123 21.695,1124 4.321,1125 13.23,1126 16.179,1128 27.174,1129 13.409,1130 1.506,1131 7.908,1132 23.597,1133 3.486,1134 14.43,1135 17.678,1137 29.656,1138 14.621,1139 1.496,1140 3.411,1141 25.504,1142 3.125,1143 15.601,1144 19.081,1146 32.101,1147 15.81,1148 1.077,1149 3.409,1150 27.416,1151 2.186,1152 16.796,1153 20.559,1155 34.575,1156 17.018,1157 1,1158 2.664,1159 29.332,1160 2.158,1161 17.981,1162 21.99,1164 37.032,1165 18.22,1166 1732,1167 3054,1168 12.137,1169 17.955,1170 28.092,1171 29.807,1172 28.832,1173 27.49,1174 27.431,1175 38.163,1177 82.108,1178 27.89,1179 5.534,1180 5.879,1181 6.666,1182 5.328,1183 5.311,1184 7.321,1186 19.804,1187 5.364,1188 5.991,1189 1.561,1190 1.656,1191 1.602,1192 1.527,1193 1.524,1194 2.12,1196 4.562,1197 1.549,1198 4.074,1199 4.084,1200 4.041,1201 4.025,1202 7.497,1203 4.026,1204 3.724,1205 3.755,1206 3.65,1207 3.667,1208 7.352,1209 3.659,1210 3.396,1211 3.39,1212 3.358,1213 3.221,1214 4.797,1215 3.252,1216 2.941,1217 2.99,1218 2.831,1219 2.859,1220 4.573,1221 2.847,1222 2.872,1223 2.913,1224 2.781,1225 2.748,1226 3.732,1227 2.744,1228 2.577,1229 2.613,1230 2.453,1231 2.409,1232 3.631,1233 2.408,1234 2.574,1235 2.613,1236 2.451,1237 2.393,1238 3.589,1239 2.406,1240 2.121,1241 2.131,1242 2.02,1243 1.685,1244 3.131,1245 1.779,1246 0.258,1247 0.216,1248 0.388,1249 0.24,1250 0.184,1251 4.653,1252 0.24,1253 3.879,1255 6.983,1256 0.656,1257 4.328,1258 0.187,1259 3.311,1260 4.321,1262 11.804,1263 3.364,1264 2.044,1265 2.033,1266 2.114,1267 2.107,1268 1.252,1269 2.108,1270 1.736,1271 1.708,1272 1.873,1273 1.82,1274 0.936,1275 1.839,1276 1.293,1277 1.293,1278 1.384,1279 1.495,1280 0.384,1281 1.453,1282 0.961,1283 0.916,1284 1.188,1285 1.093,1286 0.271,1287 1.128,1288 0.865,1289 0.82,1290 1.122,1291 1.035,1292 0.183,1293 1.062,1294 0.537,1295 0.494,1296 0.79,1297 0.762,1299 0.759,1300 0.522,1301 0.488,1302 0.743,1303 0.756,1305 0.758,1308 0.307,1309 0.377,1311 0.327,1312 3.611,1314 4.949,1316 6.529,1318 8.223,1320 9.975,1340 17.537,1341 30.736,1342 50.039,1343 62.039,1344 74.039,1345 82.039,1346 86.039,1347 25.251,1348 6.5,1349 34.14,1350 34.14,1351 18,1352 12.284,1353 3.907,1354 3.17,1355 21.517,1356 36,1357 22,1358 0.345,1359 107.456,1360 188.34,1361 253.953,1362 4686,1364 11.121,1365 0.695,1366 0.527,1367 11.121,1368 8.435,1369 7.788,1370 0.433,1371 0.281,1372 5.035,1373 7.661,1374 4.928,1375 4.067,1376 7.788,1377 5.063,1378 6.943,1379 0.267,1380 0.144,1381 6.943,1382 3.749,1383 6.48,1384 0.171,1385 0.075,1386 6.48,1387 2.84,1388 5.525,1389 0.106,1390 0.04,1391 5.525,1392 2.077,1393 4.732,1394 0.069,1395 0.021,1396 4.732,1397 1.48,1398 0.489,1399 47.881,1400 0.287,1401 15.36,1402 1.12,1403 88,1404 263.471,1405 92.207,1406 258.15,1407 350.88,1408 240,1409 108,1410 253.273,1411 112.761,1412 259.705,1413 386.07,1414 246,1415 4}
{0 CHEMBL51934,1 1.46,2 5.75,3 1.688,4 2.85,5 63.253,6 7.143,7 0.611,8 3.515,9 3.636,10 3.048,11 3.099,12 4.595,13 3.067,14 4.042,15 4.199,16 3.431,17 3.524,18 5.056,19 3.467,20 4.355,21 4.569,22 3.545,23 3.651,24 5.362,25 3.578,26 4.346,27 4.567,28 3.43,29 3.545,30 5.508,31 3.459,32 4.255,33 4.503,34 3.007,35 3.377,36 5.27,37 3.241,38 4.05,39 4.345,40 2.531,41 3.101,42 4.86,43 2.885,44 3.684,45 4.005,46 1.836,47 2.603,48 4.417,49 2.33,50 3.014,51 3.397,52 0.584,53 1.744,54 3.497,55 1.37,56 0.043,57 0.435,58 6.53,59 2.793,60 9.436,61 3.699,62 0.046,63 0.714,64 11.537,65 4.989,66 9.331,67 6.762,68 0.123,69 0.929,70 17.097,71 6.281,72 20.503,73 8.859,74 0.281,75 0.912,76 17.362,77 5.752,78 42.759,79 8.234,80 0.223,81 0.793,82 16.353,83 5.186,84 36.531,85 7.4,86 0.108,87 0.588,88 13.584,89 5.139,90 22.625,91 7.412,92 0.09,93 0.374,94 9.745,95 3.628,96 17.825,97 5.235,98 0.056,99 0.173,100 5.215,101 1.8,102 9.424,103 2.733,104 5,105 26,106 0.279,107 0.686,108 0.798,109 0.875,110 0.887,111 0.887,112 2.857,113 0.937,114 -2.6,115 -2.62,116 -2.56,121 43.3,123 3,129 1,144 4,145 2,146 1,148 2,165 1,166 1,167 1,176 6,180 4,185 4,187 8,189 2,192 3,197 2,200 4,203 1,206 2,208 1,209 2,210 1,211 6,213 1,214 5,216 4,224 3,227 6,229 2,237 2,239 5,249 1,251 2,281 178,282 10.914,283 10.914,284 10.914,285 10.914,286 10.914,287 9.599,288 8.923,289 6.356,290 11.012,291 8.873,292 8.873,293 8.873,294 8.873,295 8.873,296 6.858,297 8.503,298 2.985,299 9.067,300 3.447,301 1.322,302 0.733,303 0.333,304 0.267,305 0.267,306 3.532,311 1,312 1,313 202,314 1.732,318 77.413,322 85.609,325 0.906,326 15.398,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 34,338 92,339 4.652,340 3.465,341 6.905,342 4.24,343 3.261,344 4.565,345 0.765,346 11.505,347 3.192,348 3.998,349 2.81,350 6.153,351 3.636,352 2.653,353 3.503,355 8.884,356 2.605,357 3.478,358 2.363,359 5.299,360 3.068,361 2.11,362 2.855,364 6.425,365 2.018,366 3.036,367 2.022,368 4.845,369 2.787,370 1.824,371 2.2,373 5.031,374 1.751,375 2.838,376 1.464,377 4.043,378 2.401,379 1.414,380 1.924,382 3.316,383 1.394,384 2.566,385 1.364,386 3.666,387 2.324,388 1.326,389 1.583,391 2.993,392 1.324,393 2.152,394 0.987,395 3.472,396 1.872,397 0.896,398 1.099,400 2.108,401 0.872,402 1.337,403 0.257,404 2.938,405 0.95,411 1.041,412 0.115,413 2.548,414 0.714,415 -0.222,416 -0.247,418 -0.539,419 -0.204,420 0.691,421 -0.444,422 2.337,423 0.465,424 -0.504,425 -0.619,427 -1.221,428 -0.487,429 0.57,430 -0.779,431 2,432 0.13,433 -0.856,434 -1.159,436 -2.048,437 -0.842,438 0.159,439 -0.929,440 1.834,441 -0.163,442 -1.137,443 -1.377,445 -3.024,446 -1.103,447 -0.219,448 -1.136,449 1.518,450 -0.478,451 -1.414,452 -1.65,454 -3.592,455 -1.332,456 -0.307,457 -1.384,458 1.315,459 -0.559,460 -1.529,461 -1.909,463 -4.536,464 -1.488,465 -0.5,466 -1.731,467 1.249,468 -0.848,469 -1.822,470 -2.201,472 -5.246,473 -1.75,474 7.633,475 0.477,476 0.401,477 0.025,478 20.5,479 1.281,480 10.5,481 0.656,482 10,483 0.625,484 11.344,485 0.709,486 16.967,487 0.566,488 11.985,489 0.749,490 3.767,491 0.235,492 4.003,493 0.25,494 0.096,496 0.393,501 1.029,502 0.987,503 0.864,504 0.87,505 1.101,506 0.847,507 0.76,508 1.201,509 0.85,510 1.083,511 0.744,512 0.999,513 1.005,514 1.152,515 0.873,516 0.989,517 0.948,518 0.925,519 1.101,520 1.114,521 1.092,522 1.069,523 1.068,524 1.073,525 1.618,526 0.93,527 1.386,528 1.019,529 1.596,530 1.136,531 0.721,532 0.896,533 1.013,534 1.073,535 0.775,536 1.082,537 0.809,538 0.846,539 0.971,540 1.018,541 0.871,542 1.032,543 0.581,544 0.578,545 0.735,546 0.704,547 0.641,548 0.747,549 2.5,551 2,552 1.625,553 1.311,554 0.41,555 0.1,556 0.028,559 1798,560 4167,561 2.135,562 46.7,563 2,564 5,567 3,568 2,569 2,572 1.559,573 2,574 2.577,575 1.189,577 1,578 1,579 1,582 43.798,583 1.46,584 3.585,585 4.174,586 4.574,587 4.64,588 4.64,589 1.924,590 3.25,591 3.979,592 2.59,593 310.851,594 6.732,595 2591.95,597 1,599 1,600 147.207,601 1.406,602 3.933,603 0.139,605 0.077,606 0.058,607 0.057,608 0.029,609 0.013,610 0.009,613 0.382,614 1,615 1,616 0.625,617 61.746,618 -0.152,619 0.159,620 0.008,621 0.166,622 -0.191,623 0.118,624 -0.01,625 -0.142,626 0.034,627 -0.048,628 -0.015,629 -0.012,630 -0.032,631 -0.14,632 0.079,633 -0.018,634 -0.027,635 0.033,636 0.135,637 -0.071,638 -0.108,639 -0.151,640 0.133,641 -0.162,642 -0.342,643 0.078,644 -0.389,645 -0.113,646 -0.299,647 -0.227,648 0.011,649 -0.051,650 -0.037,651 -0.094,652 0.016,653 -0.072,654 0.03,655 -0.086,656 0.039,657 -0.038,658 0.011,659 -0.008,660 0.115,661 0.107,662 0.32,663 0.252,664 0.067,665 0.298,666 1.777,667 3.982,668 0.875,669 7.234,670 0.994,671 1.123,672 1.373,673 1.884,674 0.668,675 2.944,676 3.296,677 3.638,678 3.951,679 4.19,680 4.234,681 4.29,682 4.344,683 4.344,684 4.025,685 3.567,686 0.631,687 214.29,688 2.944,689 4.489,690 5.371,691 6.275,692 7.172,693 8.084,694 8.986,695 9.899,696 10.803,697 11.717,698 6.7,702 1,708 1,714 2,715 4,716 1,720 3,722 11,733 1,741 30,743 11,744 1,745 18,747 32,748 13,749 9,750 2,751 4,756 3,757 6,767 4,770 4,772 9,773 4,790 1,793 14,794 3,795 3,796 3,802 2,808 0.333,809 1,811 1,822 1,829 3,833 2,857 1,859 1,868 16,869 1,875 1,876 3,880 1,893 3.3,894 1,901 8,902 5.15,903 3.472,904 1.875,907 2.412,908 1.371,909 0.981,910 2.163,911 8.918,912 3.199,913 3.861,914 4.538,915 5.184,916 5.788,917 6.124,918 6.483,919 6.807,920 7.096,921 6.815,922 0.75,923 28,924 5.938,926 2.619,927 0.026,929 7.698,931 11.503,933 9.974,936 2.198,937 35.167,938 0.004,941 129.482,942 58.925,943 49.683,945 42.683,948 58.925,949 172.165,950 49.683,952 7.604,953 113.486,954 16.786,955 13.416,957 129.482,959 129.482,960 108.607,961 42.683,964 105.94,965 23.542,966 42.683,968 12.504,969 79.317,970 16.786,972 129.482,973 92.366,974 58.925,977 129.482,978 21.02,979 37.905,981 92.366,982 129.482,983 92.366,984 58.925,986 0.588,987 0.365,988 0.212,989 0.113,990 15,991 6,994 2,995 1.286,996 2.78,997 117.95,998 0.286,999 14,1000 64,1005 9.761,1006 3.546,1007 1.442,1008 1.87,1009 92.366,1010 7.828,1011 4.587,1015 2.521,1017 75.581,1018 280.773,1019 23.5,1031 29.833,1032 33.697,1034 0.298,1035 0.731,1036 0.851,1037 0.932,1038 0.946,1039 0.946,1040 4.44,1042 5.371,1043 2.108,1044 3.97,1045 4.543,1046 0.775,1047 6.244,1048 3.924,1049 5.663,1050 -0.222,1051 6.967,1053 3.611,1054 4.477,1056 7.273,1057 3.526,1058 6.995,1059 -0.504,1060 8.67,1061 -0.539,1062 5.609,1063 6.859,1064 0.521,1065 10.439,1066 5.522,1067 8.37,1068 -0.856,1069 10.437,1070 -1.221,1071 6.089,1072 7.648,1074 12.303,1075 5.966,1076 9.781,1077 -1.137,1078 12.243,1079 -2.048,1080 7.572,1081 9.515,1082 0.336,1083 14.993,1084 7.445,1085 11.218,1086 -1.414,1087 14.077,1088 -3.024,1089 8.441,1090 10.697,1092 17.19,1093 8.283,1094 12.676,1095 -1.529,1096 15.93,1097 -3.592,1098 9.724,1099 12.355,1100 0.21,1101 19.717,1102 9.556,1103 3.261,1104 -1.822,1105 17.797,1106 -4.536,1107 10.768,1108 13.72,1110 22.052,1111 10.572,1112 2.653,1113 11.505,1114 19.676,1115 -5.246,1116 11.977,1117 15.293,1118 0.128,1119 24.522,1120 11.765,1121 2.11,1122 8.884,1123 21.563,1124 4.565,1125 13.095,1126 16.74,1128 26.916,1129 12.859,1130 1.824,1131 6.425,1132 23.457,1133 3.503,1134 14.28,1135 18.279,1136 0.077,1137 29.366,1138 14.025,1139 1.414,1140 5.031,1141 25.356,1142 2.855,1143 15.431,1144 19.764,1146 31.785,1147 15.153,1148 1.326,1149 3.316,1150 27.26,1151 2.2,1152 16.608,1153 21.289,1154 0.046,1155 34.229,1156 16.31,1157 0.896,1158 2.993,1159 29.168,1160 1.924,1161 17.774,1162 22.792,1164 36.66,1165 17.453,1166 1775,1167 2758,1168 12.137,1169 20.034,1170 27.227,1171 27.134,1172 28.423,1173 27.047,1174 26.969,1175 35.458,1176 1.529,1177 80.524,1178 26.31,1179 5.598,1180 5.465,1181 6.587,1182 5.281,1183 5.261,1184 7.565,1185 1.529,1186 19.059,1187 5.192,1188 6.024,1189 1.513,1190 1.507,1191 1.579,1192 1.503,1193 1.498,1194 1.97,1195 0.085,1196 4.474,1197 1.462,1198 4.106,1199 4.135,1200 4.069,1201 4.034,1202 6.45,1203 4.039,1204 3.739,1205 3.781,1206 3.634,1207 3.648,1208 5.137,1209 3.639,1210 3.303,1211 3.375,1212 3.173,1213 3.168,1214 4.78,1215 3.161,1216 3.172,1217 3.233,1218 3.057,1219 2.973,1220 4.364,1221 2.982,1222 2.96,1223 3.039,1224 2.799,1225 2.767,1226 3.91,1227 2.761,1228 2.727,1229 2.836,1230 2.529,1231 2.549,1232 3.676,1233 2.536,1234 2.647,1235 2.723,1236 2.471,1237 2.359,1238 3.293,1239 2.377,1240 2.26,1241 2.341,1242 1.985,1243 1.805,1244 3.194,1245 1.83,1246 0.258,1247 0.192,1248 0.384,1249 0.236,1250 0.181,1251 4.652,1252 0.254,1253 3.465,1254 0.042,1255 6.905,1256 0.639,1257 4.24,1258 0.177,1259 3.261,1260 4.565,1261 0.765,1262 11.505,1263 3.192,1264 2.066,1265 2.042,1266 2.146,1267 2.158,1268 1.407,1269 2.156,1270 1.748,1271 1.707,1272 1.936,1273 1.874,1274 1.136,1275 1.897,1276 1.293,1277 1.236,1278 1.497,1279 1.493,1280 0.682,1281 1.502,1282 1.127,1283 1.065,1284 1.403,1285 1.375,1286 0.605,1287 1.381,1288 0.928,1289 0.863,1290 1.192,1291 1.201,1292 0.232,1293 1.201,1294 0.7,1295 0.63,1296 1.071,1297 1.005,1298 0.137,1299 1.041,1300 0.632,1301 0.511,1302 0.95,1303 0.89,1305 0.916,1306 0.145,1307 0.048,1308 0.687,1309 0.606,1311 0.63,1312 3.611,1314 4.949,1316 6.521,1318 8.203,1320 9.941,1326 6.13,1327 9.982,1328 2.692,1332 -0.444,1340 18.918,1341 43.798,1342 107.555,1343 125.207,1344 137.207,1345 139.207,1346 139.207,1347 22.423,1348 6.506,1349 59.14,1350 59.14,1351 18,1352 12.231,1353 3.585,1354 2.7,1355 21.59,1356 37,1357 24,1358 0.333,1359 116.239,1360 192.17,1361 275.382,1362 4762,1364 11.121,1365 0.695,1366 0.561,1367 11.121,1368 8.98,1369 7.771,1370 0.432,1371 0.312,1372 5.58,1373 7.609,1374 5.477,1375 4.501,1376 7.771,1377 5.622,1378 7.049,1379 0.271,1380 0.166,1381 7.049,1382 4.311,1383 6.292,1384 0.17,1385 0.089,1386 6.292,1387 3.275,1388 5.67,1389 0.111,1390 0.049,1391 5.67,1392 2.475,1393 4.472,1394 0.069,1395 0.027,1396 4.472,1397 1.765,1398 0.478,1399 47.899,1400 0.287,1401 15.465,1402 1.058,1403 88,1404 209.107,1405 93.184,1406 208.778,1407 293.25,1408 196,1409 107,1410 221.935,1411 112.49,1412 226.776,1413 337.73,1414 216,1415 6.154}
{0 CHEMBL519475,1 1.49,2 10.5,3 2.618,4 6.855,5 104.918,6 6.937,7 0.387,8 4.101,9 4.226,10 3.615,11 3.605,12 5.128,13 3.578,14 4.694,15 4.88,16 4.059,17 4.059,18 5.724,19 4.021,20 4.994,21 5.181,22 4.163,23 4.272,24 6.004,25 4.204,26 5.149,27 5.388,28 4.105,29 4.309,30 6.125,31 4.207,32 5.141,33 5.384,34 3.905,35 4.19,36 6.166,37 4.054,38 5.018,39 5.311,40 3.688,41 3.903,42 5.959,43 3.777,44 4.516,45 4.718,46 3.578,47 3.641,48 5.661,49 3.583,50 4.415,51 4.607,52 3.517,53 3.653,54 5.531,55 3.584,56 0.07,57 0.804,58 12.492,59 5.097,60 8.145,61 7.063,62 0.389,63 1.344,64 24.289,65 8.658,66 36.06,67 12.323,68 0.336,69 1.72,70 33.179,71 11.836,72 51.046,73 16.566,74 0.372,75 1.908,76 39.828,77 13.183,78 51.227,79 19.294,80 0.441,81 1.718,82 40.312,83 13.725,84 78.677,85 19.408,86 0.61,87 1.338,88 37.787,89 11.547,90 79.849,91 16.505,92 0.508,93 0.924,94 21.884,95 6.976,96 56.166,97 9.35,98 0.338,99 0.925,100 19.05,101 6.292,102 39.539,103 8.659,104 38,105 48,106 0.247,107 0.58,108 0.795,109 0.872,110 0.884,111 0.884,112 3.375,113 0.957,114 -1.51,115 -1.59,116 -1.63,121 40,122 2,123 2,125 1,126 2,127 1,130 1,144 7,145 2,146 3,161 1,176 11,178 1,179 1,180 5,182 1,183 2,185 2,187 12,189 2,192 6,193 1,197 3,200 10,201 2,203 2,206 7,211 4,214 6,215 2,216 2,218 1,219 10,224 2,227 3,228 2,229 1,232 5,234 1,237 1,239 4,240 1,243 1,244 2,245 1,247 1,249 2,251 10,258 1,263 1,264 12,269 2,270 1,275 1,277 11,281 1114,282 18.374,283 18.374,284 18.374,285 18.374,286 18.374,287 16.807,288 27.091,289 10.295,290 18.734,291 15.194,292 15.194,293 15.194,294 15.194,295 15.194,296 12.722,297 36.932,298 4.76,299 15.79,300 4.291,301 2.291,302 0.994,303 0.528,304 0.455,305 0.455,306 4.062,310 1,311 1,312 1,313 638,314 3.937,317 108.423,318 153.688,320 87.672,321 93.043,324 130.328,325 1.571,326 28.049,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 60.5,338 294,339 4.909,340 4.105,341 8.167,342 4.808,343 3.842,344 4.228,345 2.186,346 15.951,347 3.722,348 4.223,349 3.682,350 7.028,351 3.989,352 3.039,353 3.813,354 1.181,355 11.413,356 2.877,357 4.182,358 3.348,359 6.18,360 3.849,361 2.872,362 3.469,363 0.792,364 9.094,365 2.808,366 3.817,367 2.97,368 6.154,369 3.544,370 2.587,371 3.032,372 0.366,373 8.751,374 2.473,375 3.624,376 2.745,377 5.633,378 3.372,379 2.436,380 2.762,382 7.423,383 2.262,384 3.387,385 2.599,386 5.366,387 3.018,388 2.048,389 2.581,391 6.105,392 1.967,393 2.917,394 1.886,395 4.823,396 2.585,397 1.628,398 2.088,400 5.239,401 1.554,402 2.855,403 1.801,404 4.353,405 2.507,406 1.511,407 1.959,409 3.829,410 1.502,411 2.798,412 1.494,413 4.228,414 2.367,415 1.377,416 1.86,418 3.089,419 1.358,420 2.519,421 1.186,422 3.781,423 2.136,424 1.142,425 1.523,427 3.004,428 1.134,429 1.818,430 0.938,431 3.616,432 1.736,433 0.764,434 0.797,436 1.926,437 0.741,438 1.731,439 0.762,440 3.157,441 1.526,442 0.531,443 0.616,445 0.907,446 0.528,447 1.259,448 0.635,449 3.002,450 0.987,451 0.062,452 0.07,454 0.154,455 0.057,456 1.139,457 0.29,458 3,459 0.814,460 -0.156,461 -0.167,463 -0.39,464 -0.149,465 0.858,466 0.085,467 2.825,468 0.713,469 -0.259,470 -0.314,472 -0.616,473 -0.25,474 13.2,475 0.471,476 0.999,477 0.036,478 33.5,479 1.196,480 15,481 0.536,482 18.5,483 0.661,484 27.473,485 0.981,486 31.2,487 0.567,488 26.099,489 0.932,490 6.336,491 0.226,492 6.923,493 0.247,494 0.202,495 0.068,496 0.295,501 0.656,502 1.433,503 0.828,504 1.179,505 0.576,506 1.049,507 0.707,508 0.935,509 0.773,510 0.843,511 0.525,512 0.806,513 1.162,514 1.286,515 1.075,516 1.152,517 1.175,518 1.112,519 1.03,520 1.062,521 1.071,522 1.071,523 0.787,524 1.058,525 1.191,526 1.145,527 1.153,528 1.226,529 1.312,530 1.195,531 1.432,532 0.642,533 0.813,534 0.654,535 1.265,536 0.654,537 1.736,538 0.871,539 1.094,540 0.845,541 1.602,542 0.889,543 1.535,544 0.939,545 1.234,546 0.954,547 1.778,548 1.035,549 8,550 0.245,551 4.667,552 4.271,553 1.993,554 0.993,555 0.709,556 0.332,557 0.336,558 0.276,559 9540,560 22036,561 2.034,562 49.1,563 8,564 15,565 1,567 1,569 2,572 1.709,573 1.846,574 3.337,575 -0.358,576 1,577 1,582 81.976,583 1.49,584 3.49,585 4.787,586 5.254,587 5.326,588 5.326,589 2.717,590 4.593,591 4.782,592 3.539,593 1337.65,594 8.305,595 17414.6,597 1,599 1,600 317.975,601 1.788,602 4.696,603 0.258,604 0.01,605 0.097,606 0.084,607 0.043,608 0.029,609 0.024,610 0.012,611 0.013,612 0.011,613 0.582,614 0.5,615 1,616 0.82,617 139.768,618 0.089,619 -0.178,620 0.077,621 -0.062,622 -0.05,623 -0.01,624 0.212,625 0.23,626 0.185,627 0.183,628 0.159,629 0.184,630 -0.095,631 -0.198,632 -0.106,633 -0.122,634 -0.109,635 -0.122,636 -0.102,637 -0.016,638 -0.096,639 -0.101,640 0.034,641 -0.088,642 -0.062,643 -0.205,644 -0.156,645 -0.25,646 -0.089,647 -0.221,648 -0.048,649 0.16,650 0.246,651 0.259,652 -0.041,653 0.29,654 -0.022,655 0.087,656 -0.03,657 0.123,658 -0.083,659 0.046,660 -0.183,661 0.144,662 -0.222,663 0.03,664 -0.245,665 -0.086,666 2.176,667 5.926,668 0.643,669 24.056,670 0.998,671 1.129,672 0.282,673 0.08,674 0.646,675 3.466,676 3.892,677 4.22,678 4.575,679 4.771,680 4.836,681 5.017,682 5.094,683 5.094,684 5.176,685 6.438,686 0.61,687 381.52,688 3.466,689 5.069,690 5.964,691 6.911,692 7.829,693 8.784,694 9.717,695 10.677,696 11.62,697 12.584,698 5.5,704 1,705 1,712 1,715 7,720 5,722 12,736 1,737 1,741 55,743 13,744 2,745 31,747 58,748 22,749 12,750 5,751 7,756 4,757 7,763 2,764 1,766 1,767 1,770 2,772 13,773 9,777 1,782 1,786 1,789 1,790 1,793 27,794 5,795 1,796 6,802 3,803 1,807 1,808 0.5,809 3,825 1,828 2,829 2,831 1,832 1,835 1,859 2,864 4,868 28,876 3,877 1,878 1,880 1,881 1,882 1,883 1,893 5.5,896 1,898 1,900 1,901 15.167,902 11.093,903 5.944,904 3.526,907 2.235,908 1.286,909 0.938,910 4.556,911 10.063,912 3.664,913 4.263,914 4.787,915 5.344,916 5.82,917 5.985,918 6.321,919 6.587,920 6.734,921 6.946,922 0.857,923 51,924 10.448,926 4.596,927 0.026,929 7.735,931 20.082,933 17.213,936 2.235,937 62.583,940 1,941 306.049,942 131.842,943 21.135,945 62.981,948 131.842,949 369.03,950 21.135,951 34.443,952 52.022,953 66.334,954 25.145,955 31.252,956 18.534,957 294.278,959 306.049,960 152.977,961 62.981,964 309.343,965 59.687,968 42.836,969 110.141,972 306.049,973 84.116,974 131.842,977 306.049,978 31.065,979 103.901,980 18.011,981 62.981,982 306.049,983 84.116,984 131.842,986 0.605,987 0.367,988 0.208,989 0.108,990 26,991 12,992 0.069,993 4,994 2,995 1.222,996 3.803,997 256.746,998 0.222,999 18,1000 134.606,1005 19.099,1006 6.679,1007 3.066,1009 84.116,1010 13.353,1015 4.433,1017 18.011,1018 522.007,1019 38,1024 12.428,1028 -0.509,1031 54.891,1032 62.106,1034 0.258,1035 0.604,1036 0.828,1037 0.909,1038 0.921,1039 0.921,1040 4.984,1041 1.511,1042 6.047,1043 5.239,1044 4.575,1045 4.949,1046 2.525,1047 7.033,1048 4.499,1049 6.231,1050 1.377,1051 7.727,1052 3.829,1053 4.575,1054 4.945,1055 2.026,1056 8.541,1057 4.454,1058 7.596,1059 1.142,1060 9.528,1061 3.089,1062 6.405,1063 7.106,1064 3.568,1065 11.688,1066 6.254,1067 8.995,1068 0.764,1069 11.405,1070 3.004,1071 7.201,1072 7.831,1073 3.654,1074 14.027,1075 7.012,1076 10.429,1077 0.531,1078 13.333,1079 1.926,1080 8.629,1081 9.567,1082 4.928,1083 16.861,1084 8.412,1085 11.888,1086 0.062,1087 15.298,1088 0.907,1089 9.747,1090 10.622,1091 5.305,1092 19.486,1093 9.497,1094 13.368,1095 -0.156,1096 17.289,1097 0.154,1098 11.074,1099 12.19,1100 6.394,1101 22.258,1102 10.797,1103 3.842,1104 -0.259,1105 19.302,1106 -0.39,1107 12.319,1108 13.411,1109 6.935,1110 24.977,1111 12.012,1112 3.039,1113 15.951,1114 21.332,1115 -0.616,1116 13.634,1117 14.902,1118 7.904,1119 27.74,1120 13.298,1121 2.872,1122 11.413,1123 23.375,1124 4.228,1125 14.931,1126 16.213,1127 8.54,1128 30.491,1129 14.566,1130 2.587,1131 9.094,1132 25.428,1133 3.813,1134 16.253,1135 17.668,1136 9.436,1137 33.255,1138 15.858,1139 2.436,1140 8.751,1141 27.49,1142 3.469,1143 17.573,1144 19.029,1145 10.13,1146 36.017,1147 17.148,1148 2.048,1149 7.423,1150 29.559,1151 3.032,1152 18.903,1153 20.467,1154 10.982,1155 38.783,1156 18.448,1157 1.628,1158 6.105,1159 31.634,1160 2.762,1161 20.235,1162 21.857,1163 11.71,1164 41.549,1165 19.75,1166 9156,1167 14034,1168 19.879,1169 35.517,1170 48.203,1171 48.769,1172 50.648,1173 47.689,1174 47.677,1175 57.597,1176 9.05,1177 153.771,1178 45.961,1179 5.873,1180 6.105,1181 7.862,1182 5.9,1183 5.842,1184 7.228,1185 3.889,1186 24.922,1187 5.722,1188 16.465,1189 1.555,1190 1.573,1191 1.634,1192 1.538,1193 1.538,1194 1.858,1195 0.292,1196 4.96,1197 1.483,1198 4.119,1199 4.16,1200 4.064,1201 4.008,1202 7.435,1203 4.016,1204 3.939,1205 3.972,1206 3.876,1207 3.868,1208 7.236,1209 3.864,1210 3.748,1211 3.788,1212 3.674,1213 3.592,1214 4.836,1215 3.602,1216 3.421,1217 3.48,1218 3.359,1219 3.242,1220 4.737,1221 3.216,1222 3.38,1223 3.442,1224 3.179,1225 3.122,1226 4.39,1227 3.167,1228 3.299,1229 3.389,1230 3.121,1231 3.084,1232 4.081,1233 3.082,1234 3.249,1235 3.321,1236 3.1,1237 2.999,1238 4.02,1239 3.02,1240 2.98,1241 3.095,1242 2.711,1243 2.768,1244 3.928,1245 2.734,1246 0.158,1247 0.132,1248 0.263,1249 0.155,1250 0.124,1251 4.909,1252 0.136,1253 4.105,1254 0.071,1255 8.167,1256 0.515,1257 4.808,1258 0.12,1259 3.842,1260 4.228,1261 2.186,1262 15.951,1263 3.722,1264 1.928,1265 1.901,1266 2.051,1267 2.03,1268 1.31,1269 2.035,1270 1.899,1271 1.878,1272 2.004,1273 1.99,1274 1.211,1275 1.993,1276 1.661,1277 1.598,1278 1.854,1279 1.929,1280 1.154,1281 1.91,1282 1.589,1283 1.522,1284 1.821,1285 1.774,1286 1.025,1287 1.795,1288 1.423,1289 1.346,1290 1.738,1291 1.63,1292 0.841,1293 1.668,1294 1.261,1295 1.21,1296 1.583,1297 1.563,1298 0.648,1299 1.551,1300 1.153,1301 1.085,1302 1.454,1303 1.446,1304 0.57,1305 1.434,1306 1.017,1307 0.903,1308 1.315,1309 1.292,1310 0.353,1311 1.354,1312 4.143,1314 5.541,1315 3.045,1316 7.136,1317 5.687,1318 8.827,1319 8.009,1320 10.575,1322 7.907,1328 2.229,1329 2.831,1330 5.572,1332 -0.15,1333 2.08,1334 -0.245,1335 -0.272,1340 33.53,1341 81.976,1342 191.961,1343 263.304,1344 288.955,1345 292.955,1346 292.955,1347 57.392,1348 7.828,1349 58.64,1350 58.64,1351 22,1352 13.068,1353 3.807,1354 3,1355 42.604,1356 110,1357 100,1358 0.194,1359 204.108,1360 358.81,1361 489.784,1362 26917,1364 20.104,1365 0.718,1366 0.603,1367 20.104,1368 16.882,1369 13.259,1370 0.428,1371 0.319,1372 9.744,1373 12.719,1374 9.394,1375 7.799,1376 13.259,1377 9.891,1378 13.07,1379 0.272,1380 0.175,1381 13.07,1382 8.413,1383 10.953,1384 0.163,1385 0.097,1386 10.953,1387 6.503,1388 9.968,1389 0.104,1390 0.054,1391 9.968,1392 5.231,1393 7.697,1394 0.066,1395 0.029,1396 7.697,1397 3.434,1398 0.303,1399 83.299,1400 0.224,1401 26.492,1402 0.533,1403 158,1404 425.755,1405 174.487,1406 405.131,1407 554.19,1408 378,1409 194,1410 414.183,1411 211.743,1412 415.134,1413 616.08,1414 390,1415 6.903}
{0 CHEMBL520046,1 1.418,2 15.895,3 7.596,4 57.693,5 156.756,6 6.849,7 0.395,8 4.437,9 4.561,10 3.948,11 3.999,12 5.344,13 3.946,14 5.056,15 5.246,16 4.327,17 4.453,18 5.879,19 4.369,20 5.354,21 5.583,22 4.421,23 4.647,24 6.134,25 4.52,26 5.449,27 5.704,28 4.364,29 4.653,30 6.181,31 4.501,32 5.465,33 5.73,34 4.279,35 4.626,36 6.156,37 4.466,38 5.441,39 5.71,40 4.221,41 4.607,42 6.106,43 4.421,44 5.425,45 5.718,46 4.141,47 4.531,48 6.051,49 4.33,50 5.268,51 5.539,52 4.084,53 4.431,54 5.939,55 4.25,56 0.068,57 1.091,58 18.29,59 7.905,60 11.112,61 10.887,62 0.282,63 1.88,64 36.215,65 13.813,66 26.312,67 19.352,68 0.475,69 2.436,70 50.869,71 18.847,72 39.007,73 26.831,74 0.436,75 2.596,76 55.752,77 20.491,78 43.693,79 29.516,80 0.515,81 2.572,82 56.469,83 20.284,84 42.273,85 29.088,86 0.442,87 2.502,88 55.698,89 20.635,90 38.547,91 29.699,92 0.469,93 2.374,94 57.996,95 20.27,96 39.255,97 29.178,98 0.382,99 2.04,100 51.533,101 17.626,102 32.815,103 25.001,104 14,105 61,106 0.218,107 0.499,108 0.712,109 0.816,110 0.824,111 0.824,112 3.667,113 1.032,114 -5.91,115 -5.77,116 -5.37,121 41,123 9,124 2,126 2,127 4,144 5,145 4,146 4,148 2,176 17,180 8,185 2,187 25,191 1,192 8,195 1,197 2,200 17,206 8,209 1,211 4,214 15,219 7,224 3,227 12,232 6,237 2,239 10,243 1,244 8,249 1,251 7,256 7,261 1,264 7,269 3,274 2,277 12,281 2774,282 26.375,283 26.375,284 26.375,285 26.375,286 26.375,287 24.338,288 32.378,289 15.411,290 27.085,291 21.166,292 21.166,293 21.166,294 21.166,295 21.166,296 17.808,297 34.958,298 7.211,299 22.164,300 4.867,301 3.033,302 1.645,303 0.968,304 0.917,305 0.917,306 4.388,308 1,313 1353,314 3.536,317 88.947,318 515.622,321 169.146,322 324.635,325 2.449,326 21.473,329 0.5,330 0.5,331 0.83,332 0.9,333 1,334 0.83,335 1,336 0.8,337 79.833,338 604,339 4.651,340 3.373,341 6.833,342 4.214,343 3.235,344 4.582,345 0.86,346 11.364,347 3.165,348 4.422,349 3.34,350 6.398,351 4.081,352 3.096,353 4.088,354 0.86,355 9.988,356 3.053,357 3.99,358 2.973,359 6.004,360 3.685,361 2.718,362 3.534,363 0.8,364 8.477,365 2.631,366 3.87,367 2.943,368 5.948,369 3.58,370 2.611,371 3.181,372 0.4,373 8.444,374 2.532,375 3.659,376 2.871,377 5.548,378 3.52,379 2.573,380 2.962,382 7.51,383 2.43,384 3.581,385 2.56,386 5.428,387 3.224,388 2.274,389 2.702,391 6.893,392 2.147,393 3.367,394 2.387,395 5.257,396 3.153,397 2.21,398 2.673,400 6.681,401 2.068,402 3.292,403 2.256,404 4.899,405 2.877,406 1.975,407 2.32,409 5.573,410 1.761,411 3.093,412 2.236,413 4.837,414 2.773,415 1.785,416 2.285,418 5.387,419 1.703,420 2.868,421 1.835,422 4.717,423 2.724,424 1.771,425 1.884,427 5.118,428 1.688,429 2.673,430 1.713,431 4.121,432 2.439,433 1.455,434 1.725,436 3.42,437 1.424,438 2.491,439 1.649,440 3.943,441 2.26,442 1.297,443 1.49,445 3.242,446 1.25,447 2.32,448 1.434,449 3.924,450 2.241,451 1.253,452 1.315,454 2.892,455 1.23,456 2.223,457 1.379,458 3.603,459 2.039,460 1.136,461 1.204,463 2.841,464 1.013,465 2,466 1.077,467 3.414,468 1.984,469 1,470 1,472 2.275,473 0.983,474 18.581,475 0.489,476 0.824,477 0.022,478 42,479 1.105,480 17.5,481 0.461,482 24.5,483 0.645,484 45.02,485 1.185,486 42.019,487 0.539,488 28.662,489 0.754,490 7.285,491 0.192,492 11.321,493 0.298,494 0.092,496 0.344,501 0.819,502 1.321,503 0.764,504 1.105,505 0.685,506 1.028,507 1.172,508 1.076,509 0.839,510 0.92,511 0.814,512 0.932,513 0.807,514 1.093,515 0.938,516 1.035,517 0.753,518 1.035,519 0.744,520 1.117,521 0.863,522 1.062,523 0.736,524 1.052,525 1.106,526 0.984,527 0.874,528 0.93,529 1.008,530 0.984,531 0.76,532 1.095,533 0.893,534 1.056,535 0.801,536 1.087,537 0.78,538 0.935,539 0.951,540 0.936,541 0.843,542 0.951,543 0.932,544 1.002,545 1.169,546 1.053,547 1.03,548 1.022,549 7.5,550 0.238,551 3.778,552 2.792,553 2.298,554 1.199,555 0.881,556 0.48,557 0.335,558 0.207,559 27792,560 59710,561 2.175,562 51.3,563 14,564 19,567 1,568 2,569 4,572 1.78,573 2.073,574 3.88,575 -0.453,582 110.629,583 1.418,584 3.253,585 4.64,586 5.317,587 5.369,588 5.369,589 3.316,590 4.702,591 5.224,592 4.138,593 2908.71,594 9.157,595 51671.4,600 490.261,601 1.275,602 5.196,603 0.174,604 0.008,605 0.062,606 0.044,607 0.04,608 0.023,609 0.019,610 0.011,611 0.008,612 0.005,613 0.393,614 0.33,615 0.63,616 0.651,617 215.733,618 0.017,619 -0.103,620 0.057,621 -0.026,622 0.098,623 0.024,624 -0.105,625 0.05,626 0.026,627 0.089,628 0.074,629 0.067,630 0.06,631 -0.025,632 -0.027,633 -0.039,634 0.104,635 -0.038,636 0.044,637 -0.092,638 -0.003,639 -0.089,640 0.079,641 -0.065,642 -0.11,643 0.021,644 -0.034,645 0.018,646 -0.125,647 -0.019,648 -0.012,649 -0.106,650 -0.034,651 -0.083,652 -0.055,653 -0.099,654 0.001,655 0.015,656 0.031,657 0.031,658 -0.034,659 0.031,660 -0.044,661 -0.037,662 -0.06,663 -0.051,664 -0.088,665 -0.026,666 0.907,667 2.185,668 0.763,669 45.211,670 0.988,671 1.125,672 4.682,673 21.922,674 0.657,675 3.784,676 4.127,677 4.443,678 4.754,679 5.03,680 5.142,681 5.303,682 5.438,683 5.497,684 5.537,685 9.496,686 0.607,687 534.2,688 3.784,689 5.342,690 6.213,691 7.106,692 7.992,693 8.89,694 9.783,695 10.683,696 11.579,697 12.481,698 3.8,701 1,703 1,708 1,714 2,715 5,716 1,720 8,722 17,734 1,739 2,740 1,741 78,743 17,744 2,745 43,747 83,748 32,749 15,750 7,751 5,756 6,757 10,758 1,767 8,768 2,770 9,772 15,773 17,774 2,793 40,794 5,795 1,796 6,797 1,802 3,808 0.5,809 2,822 1,828 1,829 5,832 1,833 2,855 1,859 3,864 2,865 1,868 38,876 13,877 1,878 2,880 2,881 1,892 1,893 2.6,898 2,901 18.333,902 14.46,903 8.333,904 5.193,907 3.482,908 1.378,909 0.998,910 8.015,911 12.683,912 3.961,913 4.554,914 5.149,915 5.747,916 6.333,917 6.655,918 6.985,919 7.312,920 7.537,921 7.486,922 1,923 64,924 14.138,926 6.046,927 0.026,929 7.38,931 28.521,933 24.853,936 1.88,937 71.444,941 459.073,942 134.156,943 37.921,944 39.149,945 22,948 134.156,949 520.221,950 37.921,951 21.766,952 31.234,953 47.381,954 34.796,955 58.899,957 459.073,958 39.149,959 459.073,960 172.076,961 22,962 39.149,964 411.989,965 69.084,968 39.259,969 98.021,970 73.945,972 459.073,973 59.92,974 173.304,977 459.073,978 65.008,979 72.272,980 18.011,981 77.934,982 459.073,983 59.92,984 173.304,986 0.58,987 0.349,988 0.199,989 0.113,990 31,991 13,992 0.096,993 8,994 3,995 1.207,996 4.964,997 376.583,998 0.207,999 29,1000 183.421,1005 26.222,1006 11.615,1007 5.669,1008 2.231,1009 59.92,1010 10.536,1011 4.969,1015 9.364,1017 18.011,1018 692.298,1019 51.5,1031 77.072,1032 87.747,1034 0.226,1035 0.517,1036 0.738,1037 0.846,1038 0.854,1039 0.854,1040 5.232,1041 1.975,1042 6.196,1043 6.681,1044 4.812,1045 5.242,1046 1.656,1047 7.024,1048 4.733,1049 6.417,1050 1.785,1051 7.759,1052 5.573,1053 4.369,1054 5.121,1055 0.325,1056 7.921,1057 4.242,1058 7.728,1059 1.771,1060 9.418,1061 5.387,1062 6.422,1063 7.442,1064 1.308,1065 11.039,1066 6.29,1067 9.073,1068 1.455,1069 11.135,1070 5.118,1071 6.804,1072 8.173,1073 0.268,1074 12.771,1075 6.638,1076 10.454,1077 1.297,1078 12.889,1079 3.42,1080 8.304,1081 9.995,1082 1.064,1083 15.405,1084 8.134,1085 11.86,1086 1.253,1087 14.669,1088 3.242,1089 9.08,1090 11.122,1091 0.188,1092 17.505,1093 8.887,1094 13.285,1095 1.136,1096 16.469,1097 2.892,1098 10.358,1099 12.752,1100 0.862,1101 19.979,1102 10.156,1103 3.235,1104 1,1105 18.285,1106 2.841,1107 11.327,1108 14.072,1109 0.125,1110 22.245,1111 11.107,1112 3.096,1113 11.364,1114 20.113,1115 2.275,1116 12.516,1117 15.623,1118 0.69,1119 24.669,1120 12.285,1121 2.718,1122 9.988,1123 21.953,1124 4.582,1125 13.578,1126 17.038,1127 0.082,1128 27.012,1129 13.33,1130 2.611,1131 8.477,1132 23.801,1133 4.088,1134 14.735,1135 18.559,1136 0.544,1137 29.422,1138 14.474,1139 2.573,1140 8.444,1141 25.657,1142 3.534,1143 15.843,1144 20.02,1145 0.054,1146 31.803,1147 15.565,1148 2.274,1149 7.51,1150 27.519,1151 3.181,1152 16.992,1153 21.53,1154 0.424,1155 34.213,1156 16.698,1157 2.21,1158 6.893,1159 29.388,1160 2.962,1161 18.122,1162 23.015,1163 0.035,1164 36.612,1165 17.811,1166 25311,1167 37285,1168 29.531,1169 51.251,1170 63.883,1171 65.623,1172 66.156,1173 64.139,1174 64.043,1175 77.482,1176 5.84,1177 187.099,1178 61.178,1179 5.651,1180 5.373,1181 6.514,1182 5.255,1183 5.235,1184 7.582,1185 1.72,1186 18.902,1187 5.165,1188 15.541,1189 1.486,1190 1.526,1191 1.539,1192 1.492,1193 1.489,1194 1.802,1195 0.136,1196 4.351,1197 1.423,1198 4.124,1199 4.155,1200 4.129,1201 4.053,1202 5.04,1203 4.056,1204 4.042,1205 4.068,1206 3.983,1207 3.976,1208 4.923,1209 3.973,1210 3.864,1211 3.92,1212 3.783,1213 3.731,1214 4.685,1215 3.727,1216 3.737,1217 3.78,1218 3.741,1219 3.66,1220 4.495,1221 3.645,1222 3.59,1223 3.645,1224 3.476,1225 3.425,1226 4.409,1227 3.428,1228 3.472,1229 3.533,1230 3.413,1231 3.3,1232 4.334,1233 3.298,1234 3.256,1235 3.315,1236 3.275,1237 3.132,1238 4.185,1239 3.121,1240 3.249,1241 3.313,1242 3.057,1243 2.971,1244 4.13,1245 2.97,1246 0.108,1247 0.078,1248 0.159,1249 0.098,1250 0.075,1251 4.651,1252 0.107,1253 3.373,1254 0.02,1255 6.833,1256 0.264,1257 4.214,1258 0.074,1259 3.235,1260 4.582,1261 0.86,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.149,1267 2.159,1268 1.506,1269 2.159,1270 1.888,1271 1.873,1272 2.092,1273 2.049,1274 1.434,1275 2.067,1276 1.885,1277 1.833,1278 1.969,1279 1.981,1280 1.234,1281 1.975,1282 1.75,1283 1.709,1284 1.927,1285 1.863,1286 1.176,1287 1.892,1288 1.626,1289 1.562,1290 1.857,1291 1.806,1292 1.152,1293 1.828,1294 1.459,1295 1.388,1296 1.721,1297 1.661,1298 1.024,1299 1.686,1300 1.241,1301 1.187,1302 1.579,1303 1.525,1304 0.825,1305 1.543,1306 1.229,1307 1.18,1308 1.575,1309 1.521,1310 0.755,1311 1.538,1312 4.466,1314 5.802,1315 2.398,1316 7.339,1317 4.727,1318 8.971,1319 6.823,1320 10.656,1322 3.451,1323 6.296,1328 15.473,1329 3.836,1330 11.056,1332 1.586,1333 2.648,1340 47.33,1341 110.629,1342 253.704,1343 361.923,1344 414.752,1345 418.752,1346 418.752,1347 56.358,1348 9.202,1349 46.62,1350 46.62,1351 35,1352 13.003,1353 4.17,1354 3.248,1355 53.584,1356 224,1357 190,1358 0.115,1359 286.654,1360 499.97,1361 691.196,1362 176887,1363 1.3,1364 26.062,1365 0.686,1366 0.62,1367 26.562,1368 23.579,1369 18.606,1370 0.433,1371 0.344,1372 14.299,1373 17.756,1374 13.891,1375 11.438,1376 18.895,1377 14.798,1378 16.669,1379 0.273,1380 0.195,1381 17.077,1382 11.915,1383 14.625,1384 0.174,1385 0.111,1386 14.887,1387 9.287,1388 12.723,1389 0.111,1390 0.063,1391 12.958,1392 7.227,1393 10.813,1394 0.071,1395 0.037,1396 11.045,1397 5.559,1398 0.189,1399 118.517,1400 0.184,1401 35.156,1402 0.294,1403 208,1404 475.298,1405 235.133,1406 489.114,1407 678.06,1408 464,1409 249,1410 483.573,1411 271.704,1412 504.449,1413 743.77,1414 475,1415 8.585}
{0 CHEMBL521874,1 1.477,2 12.129,3 3.301,4 10.895,5 118.95,6 7.273,7 0.486,8 4.141,9 4.265,10 3.694,11 3.723,12 5.183,13 3.693,14 4.705,15 4.875,16 4.066,17 4.15,18 5.721,19 4.09,20 5.026,21 5.244,22 4.166,23 4.302,24 6.03,25 4.217,26 5.038,27 5.266,28 4.078,29 4.243,30 6.04,31 4.154,32 4.995,33 5.231,34 4.042,35 4.178,36 6.095,37 4.089,38 4.948,39 5.174,40 3.953,41 4.102,42 6.053,43 4.006,44 4.909,45 5.156,46 3.757,47 3.965,48 5.972,49 3.858,50 4.733,51 5.001,52 3.611,53 3.802,54 5.732,55 3.696,56 0.039,57 0.844,58 11.841,59 5.194,60 6.85,61 6.956,62 0.194,63 1.415,64 22.417,65 9.147,66 24.454,67 12.663,68 0.422,69 1.829,70 33.673,71 12.35,72 53.208,73 17.277,74 0.374,75 1.826,76 34.71,77 11.808,78 52.185,79 16.561,80 0.455,81 1.705,82 33.68,83 11.463,84 76.034,85 16.235,86 0.402,87 1.573,88 32.155,89 11.462,90 65.573,91 15.729,92 0.433,93 1.474,94 32.186,95 10.421,96 71.464,97 14.321,98 0.317,99 1.232,100 27.245,101 8.897,102 50.623,103 12.572,104 5,105 49,106 0.24,107 0.58,108 0.749,109 0.861,110 0.901,111 0.907,112 3.472,113 0.94,114 -3.44,115 -3.42,116 -3.27,121 43.9,123 5,127 2,129 1,144 8,145 4,146 1,148 2,160 2,176 15,180 4,183 2,185 4,187 17,192 5,195 2,196 2,197 5,200 11,206 5,209 1,211 7,214 7,218 1,219 4,222 1,224 7,227 8,231 1,232 7,235 1,236 1,237 5,239 6,244 6,247 1,249 6,251 2,256 4,261 6,264 2,268 1,269 6,274 4,277 4,281 1566,282 21.43,283 21.43,284 21.43,285 21.43,286 21.43,287 19.106,288 21.239,289 12.749,290 21.589,291 17.318,292 17.318,293 17.318,294 17.318,295 17.318,296 13.647,297 21.501,298 6.079,299 17.558,300 4.356,301 2.261,302 1.219,303 0.526,304 0.281,305 0.246,306 4.186,311 1,312 1,313 846,314 3.606,318 368.849,322 373.738,325 1.738,326 29.977,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 66,338 376,339 4.645,340 3.755,341 6.836,342 4.214,343 3.234,344 4.566,345 1.985,346 11.38,347 3.168,348 4.25,349 3.602,350 6.25,351 3.967,352 2.976,353 3.82,354 1.925,355 9.417,356 2.947,357 3.918,358 3.306,359 5.982,360 3.602,361 2.605,362 3.441,363 0.672,364 8.37,365 2.59,366 3.877,367 3.089,368 5.898,369 3.524,370 2.532,371 3.089,372 0.33,373 8.15,374 2.512,375 3.68,376 2.663,377 5.441,378 3.36,379 2.371,380 2.968,381 0.123,382 6.986,383 2.338,384 3.388,385 2.276,386 4.949,387 2.982,388 2,389 2.641,391 5.72,392 1.954,393 2.946,394 2.116,395 4.447,396 2.605,397 1.618,398 2.138,400 4.429,401 1.598,402 2.934,403 1.964,404 4.16,405 2.537,406 1.547,407 2.115,409 3.765,410 1.525,411 2.916,412 1.594,413 4.116,414 2.506,415 1.513,416 2.048,418 3.329,419 1.501,420 2.59,421 1.454,422 3.818,423 2.345,424 1.347,425 1.616,427 3.247,428 1.343,429 2.561,430 1.444,431 3.606,432 2.27,433 1.294,434 1.527,436 2.932,437 1.255,438 2.487,439 1.438,440 3.594,441 2.242,442 1.247,443 1.485,445 2.902,446 1.24,447 1.999,448 1.35,449 3.511,450 1.806,451 0.827,452 0.939,454 2.095,455 0.807,456 1.877,457 1.081,458 3.168,459 1.64,460 0.667,461 0.784,463 1.555,464 0.647,465 1.696,466 0.849,467 2.976,468 1.371,469 0.372,470 0.446,472 0.852,473 0.366,474 14.767,475 0.476,476 0.657,477 0.021,478 39.5,479 1.274,480 19.5,481 0.629,482 20,483 0.645,484 27.192,485 0.877,486 32.633,487 0.573,488 29.601,489 0.955,490 7.534,491 0.243,492 7.652,493 0.247,494 0.045,496 0.339,501 0.727,502 1.178,503 0.804,504 0.984,505 0.531,506 0.909,507 0.622,508 1.195,509 0.904,510 1.082,511 0.538,512 1.033,513 0.925,514 1.03,515 0.965,516 0.984,517 0.956,518 0.982,519 1.293,520 1.092,521 1.114,522 1.032,523 1.204,524 1.04,525 1.082,526 1.009,527 0.998,528 0.981,529 0.974,530 0.969,531 1.249,532 1.093,533 1.055,534 1.117,535 1.447,536 1.079,537 1.713,538 0.991,539 1.17,540 0.989,541 1.886,542 1.013,543 1.416,544 0.871,545 0.957,546 0.834,547 1.461,548 0.835,549 5,550 0.132,551 3.556,552 1.75,553 2.076,554 1.035,555 0.446,556 0.347,557 0.329,558 0.209,559 14497,560 32793,561 2.18,562 45.6,563 6,564 13,567 3,568 2,569 2,572 1.735,573 2.09,574 3.526,575 0.812,577 1,582 84.167,583 1.477,584 3.572,585 4.613,586 5.307,587 5.552,588 5.587,589 2.868,590 4.567,591 4.931,592 3.733,593 1735.93,594 8.599,595 25126.3,597 1,599 1,600 332.475,601 1.215,602 4.907,603 0.143,604 0.004,605 0.073,606 0.034,607 0.045,608 0.024,609 0.011,610 0.011,611 0.012,612 0.007,613 0.363,614 0.33,615 0.88,616 0.415,617 161.923,618 -0.055,619 -0.011,620 0.044,621 0.05,622 -0.015,623 0.06,624 0.11,625 -0.093,626 -0.01,627 -0.071,628 0.045,629 -0.06,630 0.069,631 -0.001,632 0.003,633 -0.008,634 -0.017,635 -0.015,636 -0.141,637 -0.059,638 -0.121,639 -0.083,640 -0.112,641 -0.095,642 0.073,643 -0.002,644 0.005,645 -0.028,646 0.15,647 -0.014,648 0.054,649 -0.13,650 -0.043,651 -0.146,652 0.014,653 -0.116,654 -0.191,655 -0.042,656 -0.115,657 -0.049,658 -0.183,659 -0.07,660 -0.114,661 0.063,662 0.093,663 0.115,664 -0.072,665 0.132,666 1.881,667 5.761,668 0.774,669 27.663,670 0.996,671 1.122,672 2.213,673 4.897,674 0.672,675 3.584,676 3.912,677 4.22,678 4.511,679 4.812,680 4.868,681 4.977,682 5.075,683 5.153,684 5.011,685 7.294,686 0.637,687 414.55,688 3.584,689 5.13,690 5.994,691 6.878,692 7.761,693 8.652,694 9.541,695 10.434,696 11.326,697 12.221,698 7,700 1,705 2,708 1,714 2,715 8,716 1,720 5,722 17,741 57,743 19,744 2,745 35,747 61,748 25,749 15,750 4,751 8,756 5,757 9,767 6,770 6,772 17,773 8,777 2,782 2,786 2,790 1,793 26,794 6,795 3,796 6,802 4,808 0.4,809 2,822 1,829 5,833 3,843 2,853 1,859 2,868 31,876 7,877 3,880 1,893 3.5,896 2,901 14.833,902 10.033,903 6.75,904 3.642,907 3.414,908 1.416,909 1.027,910 5.606,911 11.629,912 3.839,913 4.431,914 5.012,915 5.598,916 6.202,917 6.471,918 6.82,919 7.168,920 7.463,921 7.306,922 0.875,923 52,924 11.572,926 5.082,927 0.026,929 7.672,931 22.44,933 19.261,936 2.172,937 67.333,939 1,940 1,941 270.735,942 121.891,943 70.818,945 50.29,948 121.891,949 321.025,950 70.818,952 52.906,953 93.821,954 76.485,955 19.787,957 270.735,959 270.735,960 192.708,961 50.29,964 247.193,965 73.832,968 75.817,969 100.106,970 16.786,972 270.735,973 121.108,974 121.891,977 270.735,978 46.081,979 75.81,980 54.032,981 67.075,982 270.735,983 121.108,984 121.891,986 0.58,987 0.345,988 0.195,989 0.116,990 25,991 10,992 0.066,993 4,994 3,995 1.25,996 4.313,997 287.649,998 0.25,999 24,1000 153.58,1005 20.019,1006 8.681,1007 4.152,1008 1.848,1009 121.108,1010 16.029,1011 4.808,1015 5.466,1017 54.032,1018 513.734,1019 45.5,1024 25.407,1028 -0.361,1031 56.781,1032 63.979,1034 0.253,1035 0.612,1036 0.791,1037 0.91,1038 0.952,1039 0.958,1040 5.083,1041 1.547,1042 5.969,1043 4.429,1044 4.595,1045 5.118,1046 2.711,1047 6.788,1048 4.566,1049 6.275,1050 1.513,1051 7.527,1052 3.765,1053 4.111,1054 4.934,1055 2.179,1056 7.695,1057 4.087,1058 7.582,1059 1.347,1060 9.188,1061 3.329,1062 6.188,1063 7.317,1064 3.705,1065 10.829,1066 6.129,1067 8.925,1068 1.294,1069 10.912,1070 3.247,1071 6.553,1072 7.992,1073 3.785,1074 12.593,1075 6.493,1076 10.303,1077 1.247,1078 12.677,1079 2.932,1080 8.073,1081 9.855,1082 4.897,1083 15.237,1084 7.984,1085 11.706,1086 0.827,1087 14.471,1088 2.902,1089 8.844,1090 10.945,1091 5.249,1092 17.359,1093 8.746,1094 13.128,1095 0.667,1096 16.284,1097 2.095,1098 10.133,1099 12.597,1100 6.163,1101 19.841,1102 10.011,1103 3.234,1104 0.372,1105 18.113,1106 1.555,1107 11.101,1108 13.898,1109 6.657,1110 22.123,1111 10.964,1112 2.976,1113 11.38,1114 19.953,1115 0.852,1116 12.296,1117 15.461,1118 7.464,1119 24.555,1120 12.138,1121 2.605,1122 9.417,1123 21.803,1124 4.566,1125 13.358,1126 16.868,1127 8.037,1128 26.911,1129 13.182,1130 2.532,1131 8.37,1132 23.66,1133 3.82,1134 14.519,1135 18.396,1136 8.786,1137 29.33,1138 14.322,1139 2.371,1140 8.15,1141 25.525,1142 3.441,1143 15.628,1144 19.855,1145 9.402,1146 31.721,1147 15.41,1148 2,1149 6.986,1150 27.395,1151 3.089,1152 16.778,1153 21.371,1154 10.119,1155 34.14,1156 16.54,1157 1.618,1158 5.72,1159 29.27,1160 2.968,1161 17.91,1162 22.857,1163 10.76,1164 36.549,1165 17.651,1166 13223,1167 20027,1168 24.156,1169 38.307,1170 52.747,1171 54.497,1172 53.56,1173 52.313,1174 52.356,1175 67.319,1176 10.068,1177 150.405,1178 51.637,1179 5.602,1180 5.755,1181 6.523,1182 5.261,1183 5.234,1184 7.566,1185 3.478,1186 18.912,1187 5.168,1188 9.949,1189 1.507,1190 1.557,1191 1.53,1192 1.495,1193 1.496,1194 1.923,1195 0.288,1196 4.297,1197 1.475,1198 4.116,1199 4.146,1200 4.077,1201 4.042,1202 7.433,1203 4.046,1204 3.996,1205 4.031,1206 3.929,1207 3.923,1208 7.424,1209 3.919,1210 3.733,1211 3.781,1212 3.626,1213 3.65,1214 4.969,1215 3.637,1216 3.684,1217 3.73,1218 3.604,1219 3.476,1220 4.749,1221 3.501,1222 3.498,1223 3.548,1224 3.414,1225 3.304,1226 4.407,1227 3.321,1228 3.259,1229 3.326,1230 3.133,1231 3.119,1232 4.21,1233 3.114,1234 3.163,1235 3.231,1236 3.047,1237 2.985,1238 4.11,1239 2.983,1240 3.115,1241 3.191,1242 2.967,1243 2.959,1244 3.979,1245 2.95,1246 0.133,1247 0.107,1248 0.195,1249 0.12,1250 0.092,1251 4.645,1252 0.13,1253 3.755,1254 0.057,1255 6.836,1256 0.325,1257 4.214,1258 0.091,1259 3.234,1260 4.566,1261 1.985,1262 11.38,1263 3.168,1264 2.071,1265 2.046,1266 2.156,1267 2.162,1268 1.432,1269 2.161,1270 1.977,1271 1.948,1272 2.097,1273 2.081,1274 1.332,1275 2.088,1276 1.754,1277 1.709,1278 1.949,1279 1.873,1280 1.147,1281 1.902,1282 1.598,1283 1.552,1284 1.763,1285 1.835,1286 0.908,1287 1.813,1288 1.438,1289 1.387,1290 1.638,1291 1.658,1292 0.802,1293 1.653,1294 1.244,1295 1.188,1296 1.469,1297 1.44,1298 0.751,1299 1.447,1300 1.142,1301 1.074,1302 1.436,1303 1.354,1304 0.66,1305 1.381,1306 1.127,1307 1.052,1308 1.418,1309 1.336,1310 0.612,1311 1.374,1312 4.263,1314 5.587,1316 7.124,1318 8.76,1320 10.449,1328 5.321,1329 9.137,1332 -0.322,1340 36.31,1341 84.167,1342 203.607,1343 262.965,1344 302.475,1345 316.475,1346 318.475,1347 54.183,1348 8.215,1349 83.12,1350 83.12,1351 30,1352 12.747,1353 4.322,1354 3.524,1355 43.785,1356 138,1357 131,1358 0.152,1359 219.508,1360 381.74,1361 527.359,1362 51715,1364 21.209,1365 0.684,1366 0.562,1367 21.209,1368 17.41,1369 15.187,1370 0.434,1371 0.313,1372 10.869,1373 14.796,1374 10.671,1375 8.774,1376 15.187,1377 10.971,1378 13.59,1379 0.277,1380 0.17,1381 13.59,1382 8.309,1383 11.815,1384 0.176,1385 0.093,1386 11.815,1387 6.255,1388 10.033,1389 0.111,1390 0.051,1391 10.033,1392 4.629,1393 8.877,1394 0.073,1395 0.029,1396 8.877,1397 3.506,1398 0.242,1399 93.999,1400 0.203,1401 29.276,1402 0.407,1403 168,1404 432.115,1405 179.978,1406 423.423,1407 584.87,1408 398,1409 200,1410 431.442,1411 212.147,1412 438.014,1413 644.85,1414 416,1415 5.384}
{0 CHEMBL521935,1 1.281,2 14.775,3 7.804,4 60.896,5 163.828,6 6.854,7 0.609,8 4.428,9 4.557,10 3.947,11 4.044,12 5.38,13 3.993,14 5.003,15 5.185,16 4.309,17 4.473,18 5.888,19 4.391,20 5.316,21 5.561,22 4.41,23 4.618,24 6.14,25 4.513,26 5.305,27 5.542,28 4.352,29 4.6,30 6.146,31 4.485,32 5.321,33 5.553,34 4.278,35 4.63,36 6.105,37 4.493,38 5.405,39 5.663,40 4.181,41 4.646,42 6.115,43 4.469,44 5.417,45 5.714,46 4.107,47 4.562,48 6.095,49 4.375,50 5.236,51 5.529,52 4.121,53 4.423,54 6.006,55 4.277,56 0.082,57 1.111,58 17.084,59 7.284,60 10.733,61 10.233,62 0.169,63 1.91,64 31.705,65 12.901,66 21.133,67 18.434,68 0.33,69 2.533,70 45.711,71 16.771,72 38.371,73 24.625,74 0.46,75 2.548,76 45.212,77 16.266,78 44.208,79 23.794,80 0.337,81 2.526,82 45.495,83 17.238,84 35.748,85 25.044,86 0.293,87 2.617,88 49.97,89 20.356,90 34.929,91 29.379,92 0.323,93 2.572,94 52.018,95 20.55,96 40.042,97 30.019,98 0.371,99 2.21,100 43.469,101 16.592,102 43.101,103 24.288,105 64,106 0.194,107 0.484,108 0.625,109 0.726,110 0.757,111 0.757,112 3.717,113 0.983,114 -5.38,115 -5.26,116 -4.92,121 45.5,123 10,127 2,144 11,145 4,146 2,148 6,176 18,180 12,185 6,187 21,192 9,197 4,200 14,206 4,209 4,211 10,214 19,224 6,227 20,232 6,237 4,239 24,244 4,251 16,255 2,256 10,260 1,264 20,269 6,277 20,281 3106,282 28.275,283 28.275,284 28.275,285 28.275,286 28.275,287 24.976,288 27.178,289 17.016,290 28.557,291 22.822,292 22.822,293 22.822,294 22.822,295 22.822,296 17.676,297 27.27,298 8.107,299 23.309,300 4.986,301 3.07,302 2.139,303 1.475,304 1.273,305 1.273,306 4.452,312 1,313 1354,314 3.464,318 668.008,322 628.29,325 2.292,326 20.317,329 0.75,330 0.67,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.75,337 82.5,338 591,339 4.64,340 3.361,341 6.829,342 4.207,343 3.227,344 4.564,345 0.4,346 11.348,347 3.162,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 4.564,354 0.4,355 11.348,356 3.162,357 4.071,358 2.893,359 5.982,360 3.661,361 2.696,362 3.671,364 8.37,365 2.6,366 3.914,367 2.67,368 5.982,369 3.524,370 2.532,371 3.437,373 8.37,374 2.512,375 3.914,376 2.667,377 5.598,378 3.524,379 2.532,380 3.437,382 7.741,383 2.512,384 3.528,385 2.459,386 5.382,387 3.176,388 2.214,389 2.894,391 6.716,392 2.132,393 3.519,394 2.342,395 5.38,396 3.122,397 2.168,398 2.892,400 6.708,401 2.066,402 3.376,403 2.294,404 4.986,405 3.047,406 2.072,407 2.625,409 5.955,410 2.015,411 2.938,412 1.7,413 4.116,414 2.52,415 1.536,416 2.142,418 3.412,419 1.511,420 2.938,421 1.659,422 4.116,423 2.516,424 1.528,425 2.142,427 3.37,428 1.508,429 2.72,430 1.484,431 3.939,432 2.37,433 1.39,434 1.805,436 3.329,437 1.36,438 2.615,439 1.458,440 3.925,441 2.345,442 1.347,443 1.652,445 3.329,446 1.343,447 2.609,448 1.419,449 3.624,450 2.345,451 1.347,452 1.647,454 2.985,455 1.343,456 2.49,457 1.351,458 3.596,459 2.242,460 1.247,461 1.49,463 2.902,464 1.24,465 2.49,466 1.35,467 3.594,468 2.242,469 1.247,470 1.49,472 2.902,473 1.24,474 19.5,475 0.488,476 0.684,477 0.017,478 52.5,479 1.313,480 27,481 0.675,482 25.5,483 0.638,484 39.764,485 0.994,486 41.1,487 0.534,488 38.032,489 0.951,490 9.395,491 0.235,492 10.437,493 0.261,496 0.308,501 0.937,502 1.161,503 0.862,504 0.99,505 0.8,506 0.933,507 0.98,508 1.239,509 0.953,510 1.085,511 0.846,512 1.03,513 1.291,514 1.065,515 0.917,516 0.906,517 1.123,518 0.887,519 1.428,520 1.03,521 1.115,522 1.004,523 1.284,524 1.03,525 1.429,526 1.091,527 1.226,528 1.116,529 1.268,530 1.149,531 0.889,532 1.09,533 1.13,534 1.164,535 0.962,536 1.165,537 0.782,538 0.915,539 0.894,540 0.929,541 0.833,542 0.921,543 0.806,544 0.767,545 0.754,546 0.748,547 0.816,548 0.747,549 5,550 0.14,551 3.778,552 2.625,553 2.302,554 0.778,555 0.599,556 0.406,557 0.239,558 0.285,559 32260,560 61963,561 2.259,562 48.1,563 12,564 15,567 2,568 8,572 1.796,573 2.222,574 3.762,575 0.025,582 98.658,583 1.281,584 3.197,585 4.128,586 4.791,587 4.994,588 4.994,589 3.023,590 3.634,591 5.303,592 4.048,593 3157.62,594 9.327,595 57948,600 482.543,601 0.881,602 5.295,603 0.109,604 0.003,605 0.059,606 0.038,607 0.037,608 0.013,609 0.012,610 0.008,611 0.005,612 0.006,613 0.29,614 0.17,615 0.75,617 229.011,618 0.012,619 -0.036,620 0.071,621 0.032,622 0.098,623 0.052,624 0.025,625 -0.166,626 0.004,627 -0.083,628 0.093,629 -0.049,630 -0.02,631 -0.021,632 0.084,633 0.057,634 0.026,635 0.074,636 0.005,637 0.048,638 -0.109,639 -0.058,640 -0.079,641 -0.086,642 -0.249,643 -0.046,644 -0.241,645 -0.145,646 -0.27,647 -0.183,648 -0.078,649 -0.131,650 -0.156,651 -0.161,652 -0.117,653 -0.164,654 0.055,655 0.005,656 0.101,657 0.065,658 0.083,659 0.083,660 0.233,661 0.191,662 0.254,663 0.228,664 0.287,665 0.24,666 0.635,667 2.03,668 0.85,669 44.385,670 0.982,671 1.119,672 4.147,673 17.199,674 0.678,675 3.85,676 4.174,677 4.511,678 4.836,679 5.13,680 5.198,681 5.352,682 5.493,683 5.602,684 5.58,685 9.312,686 0.63,687 527.77,688 3.85,689 5.398,690 6.271,691 7.16,692 8.048,693 8.945,694 9.84,695 10.74,696 11.637,697 12.539,698 6.5,703 2,708 3,714 4,715 11,716 3,720 8,722 28,734 2,741 77,743 28,744 2,745 46,747 83,748 35,749 23,750 4,751 8,756 7,757 13,767 8,770 10,772 23,773 12,793 37,794 5,795 2,796 5,802 5,808 0.429,822 3,829 7,833 4,859 3,868 40,876 12,877 2,901 18,902 13.767,903 8.722,904 5.314,907 5.985,908 1.627,909 1.055,910 7.252,911 15.537,912 4.111,913 4.749,914 5.408,915 6.051,916 6.662,917 6.961,918 7.341,919 7.71,920 8.052,921 8.057,922 1,923 69,924 14.862,926 6.407,927 0.026,929 7.35,931 29.868,933 25.91,936 1.85,937 74,941 411.989,942 166.141,943 86.378,948 166.141,949 411.989,950 86.378,952 29.557,953 104.239,954 86.378,955 32.346,957 411.989,959 411.989,960 252.519,964 411.989,968 44.872,969 121.269,970 86.378,972 411.989,973 86.378,974 166.141,977 411.989,978 61.903,979 104.239,980 36.022,981 50.357,982 411.989,983 86.378,984 166.141,986 0.573,987 0.346,988 0.206,989 0.118,990 33,991 12,992 0.096,993 8,994 4,995 1.235,996 5.173,997 413.352,998 0.235,999 34,1000 172.122,1005 25.327,1006 11.453,1007 5.278,1008 4.673,1009 86.378,1010 23.57,1011 14.997,1015 10.258,1017 36.022,1018 664.508,1019 60,1031 75.647,1032 86.135,1034 0.204,1035 0.51,1036 0.659,1037 0.765,1038 0.797,1039 0.797,1040 5.347,1041 2.072,1042 6.232,1043 6.708,1044 4.86,1045 5.438,1046 0.495,1047 7.059,1048 4.816,1049 6.545,1050 1.536,1051 7.787,1052 5.955,1053 4.29,1054 5.247,1056 7.978,1057 4.222,1058 7.857,1059 1.528,1060 9.448,1061 3.412,1062 6.45,1063 7.715,1064 0.097,1065 11.143,1066 6.364,1067 9.211,1068 1.39,1069 11.178,1070 3.37,1071 6.781,1072 8.42,1074 12.951,1075 6.671,1076 10.603,1077 1.347,1078 12.952,1079 3.329,1080 8.344,1081 10.324,1082 0.016,1083 15.619,1084 8.216,1085 12.023,1086 1.347,1087 14.758,1088 3.329,1089 9.113,1090 11.45,1092 17.786,1093 8.963,1094 13.464,1095 1.247,1096 16.585,1097 2.985,1098 10.426,1099 13.124,1100 0.003,1101 20.294,1102 10.26,1103 3.227,1104 1.247,1105 18.429,1106 2.902,1107 11.408,1108 14.455,1110 22.61,1111 11.22,1112 3.226,1113 11.348,1114 20.286,1115 2.902,1116 12.622,1117 16.032,1119 25.065,1120 12.416,1121 2.696,1122 11.348,1123 22.153,1124 4.564,1125 13.703,1126 17.461,1128 27.445,1129 13.476,1130 2.532,1131 8.37,1132 24.028,1133 4.564,1134 14.881,1135 18.999,1137 29.882,1138 14.635,1139 2.532,1140 8.37,1141 25.91,1142 3.671,1143 16.008,1144 20.474,1146 32.289,1147 15.741,1148 2.214,1149 7.741,1150 27.798,1151 3.437,1152 17.174,1153 21.997,1155 34.72,1156 16.888,1157 2.168,1158 6.716,1159 29.691,1160 3.437,1161 18.323,1162 23.494,1164 37.139,1165 18.016,1166 28584,1167 39790,1168 32.591,1169 52.211,1170 68.432,1171 68.947,1172 69.533,1173 68.479,1174 68.494,1175 89.874,1176 1.6,1177 195.92,1178 67.012,1179 5.587,1180 5.361,1181 6.515,1182 5.258,1183 5.227,1184 7.564,1185 0.8,1186 18.879,1187 5.162,1189 1.488,1190 1.499,1191 1.512,1192 1.489,1193 1.489,1194 1.954,1195 0.035,1196 4.259,1197 1.457,1198 4.139,1199 4.172,1200 4.096,1201 4.064,1202 4.995,1203 4.068,1204 4.088,1205 4.118,1206 4.052,1207 4.018,1208 4.954,1209 4.023,1210 3.913,1211 3.955,1212 3.852,1213 3.815,1214 4.848,1215 3.818,1216 3.733,1217 3.782,1218 3.618,1219 3.651,1220 4.411,1221 3.637,1222 3.731,1223 3.78,1224 3.617,1225 3.649,1226 4.411,1227 3.635,1228 3.548,1229 3.624,1230 3.404,1231 3.389,1232 4.227,1233 3.382,1234 3.425,1235 3.502,1236 3.29,1237 3.256,1238 4.191,1239 3.253,1240 3.233,1241 3.29,1242 3.105,1243 3.127,1244 3.979,1245 3.114,1246 0.101,1247 0.073,1248 0.148,1249 0.091,1250 0.07,1251 4.64,1252 0.099,1253 3.361,1254 0.009,1255 6.829,1256 0.247,1257 4.207,1258 0.069,1259 3.227,1260 4.564,1261 0.4,1262 11.348,1263 3.162,1264 2.073,1265 2.047,1266 2.159,1267 2.164,1268 1.435,1269 2.165,1270 2.071,1271 2.046,1272 2.158,1273 2.162,1274 1.434,1275 2.162,1276 1.888,1277 1.85,1278 2.017,1279 2.013,1280 1.222,1281 2.017,1282 1.754,1283 1.709,1284 1.949,1285 1.873,1286 1.162,1287 1.902,1288 1.754,1289 1.709,1290 1.948,1291 1.872,1292 1.136,1293 1.902,1294 1.542,1295 1.474,1296 1.791,1297 1.745,1298 1.064,1299 1.765,1300 1.407,1301 1.338,1302 1.646,1303 1.619,1304 0.785,1305 1.632,1306 1.243,1307 1.192,1308 1.465,1309 1.39,1310 0.755,1311 1.413,1312 4.533,1314 5.855,1316 7.396,1318 9.042,1320 10.746,1328 12.911,1329 7.592,1340 48.536,1341 98.658,1342 246.131,1343 317.86,1344 368.933,1345 384.543,1346 384.543,1347 52.504,1348 9.552,1349 62.73,1350 62.73,1351 42,1352 13.06,1353 4.858,1354 3.907,1355 52.663,1356 233,1357 156,1358 0.108,1359 290.664,1360 493.72,1361 700.98,1362 294962,1364 26.727,1365 0.668,1366 0.579,1367 26.727,1368 23.178,1369 19.832,1370 0.431,1371 0.328,1372 14.984,1373 19.508,1374 14.691,1375 12.099,1376 19.832,1377 15.069,1378 17.393,1379 0.272,1380 0.176,1381 17.393,1382 11.246,1383 15.473,1384 0.172,1385 0.095,1386 15.473,1387 8.569,1388 13.851,1389 0.111,1390 0.053,1391 13.851,1392 6.588,1393 12.092,1394 0.072,1395 0.03,1396 12.092,1397 5.046,1398 0.175,1399 121.123,1400 0.175,1401 36.392,1402 0.279,1403 220,1404 461.601,1405 229.603,1406 466.985,1407 679.5,1408 446,1409 264,1410 531.831,1411 274.658,1412 543.414,1413 805.9,1414 520,1415 9.115}
{0 CHEMBL522073,1 1.464,2 12.129,3 3.547,4 12.583,5 120.396,6 7.061,7 0.5,8 4.155,9 4.285,10 3.674,11 3.717,12 5.21,13 3.681,14 4.703,15 4.884,16 4.013,17 4.117,18 5.716,19 4.049,20 5.004,21 5.229,22 4.113,23 4.259,24 6.011,25 4.169,26 5.03,27 5.262,28 4.073,29 4.23,30 6.043,31 4.142,32 5.032,33 5.263,34 4.101,35 4.227,36 6.154,37 4.144,38 5.05,39 5.274,40 4.033,41 4.21,42 6.156,43 4.108,44 5.055,45 5.318,46 3.805,47 4.087,48 6.077,49 3.954,50 4.857,51 5.14,52 3.629,53 3.879,54 5.833,55 3.753,56 0.046,57 0.862,58 12.662,59 5.388,60 8.033,61 7.391,62 0.217,63 1.401,64 23.362,65 9.172,66 26.675,67 12.989,68 0.431,69 1.764,70 33.648,71 12.03,72 54.749,73 17.155,74 0.376,75 1.788,76 34.954,77 11.636,78 54.028,79 16.714,80 0.485,81 1.766,82 35.154,83 11.658,84 81.968,85 16.779,86 0.445,87 1.74,88 35.783,89 12.522,90 72.791,91 17.504,92 0.472,93 1.661,94 37.5,95 12.173,96 79.714,97 17.341,98 0.367,99 1.345,100 31.107,101 9.956,102 60.993,103 14.457,104 11,105 46,106 0.237,107 0.572,108 0.742,109 0.847,110 0.884,111 0.884,112 3.472,113 0.957,114 -3.44,115 -3.42,116 -3.27,121 42.4,123 5,126 1,127 1,129 1,144 9,145 3,146 1,148 2,160 2,176 15,180 4,183 2,185 3,187 17,192 5,195 2,196 2,197 4,200 11,206 5,209 1,211 7,214 7,218 1,219 4,222 1,224 8,227 8,231 1,232 7,235 1,236 1,237 6,239 6,244 6,247 1,249 6,251 2,256 4,261 6,264 2,268 1,269 6,274 4,277 4,281 1614,282 21.353,283 21.353,284 21.353,285 21.353,286 21.353,287 19.029,288 19.419,289 12.874,290 21.538,291 16.758,292 16.758,293 16.758,294 16.758,295 16.758,296 13.151,297 16.693,298 6.061,299 16.993,300 4.419,301 2.349,302 1.295,303 0.65,304 0.42,305 0.42,306 4.171,311 1,312 1,313 821,314 4.123,318 330.413,322 252.072,325 1.738,326 29.079,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 66,338 376,339 4.645,340 3.748,341 6.836,342 4.214,343 3.234,344 4.566,345 1.985,346 11.38,347 3.168,348 4.03,349 3.6,350 6.05,351 3.817,352 2.826,353 3.47,354 1.925,355 8.686,356 2.795,357 3.917,358 3.305,359 5.982,360 3.524,361 2.532,362 3.441,363 0.473,364 8.37,365 2.512,366 3.798,367 2.738,368 5.442,369 3.438,370 2.442,371 3.08,372 0.29,373 6.998,374 2.426,375 3.675,376 2.663,377 5.293,378 3.338,379 2.345,380 2.966,381 0.06,382 6.744,383 2.321,384 3.388,385 2.276,386 4.945,387 2.981,388 1.999,389 2.641,391 5.704,392 1.953,393 2.937,394 2.104,395 4.125,396 2.54,397 1.547,398 2.138,400 3.655,401 1.531,402 2.931,403 1.594,404 4.116,405 2.507,406 1.513,407 2.088,409 3.329,410 1.501,411 2.591,412 1.513,413 3.816,414 2.345,415 1.347,416 1.616,418 3.246,419 1.343,420 2.562,421 1.444,422 3.594,423 2.285,424 1.315,425 1.528,427 2.918,428 1.267,429 2.5,430 1.438,431 3.57,432 2.242,433 1.247,434 1.5,436 2.902,437 1.24,438 2.487,439 1.35,440 3.504,441 2,442 1,443 1.485,445 2.136,446 1,447 1.998,448 1.081,449 3.247,450 1.804,451 0.824,452 0.936,454 2.076,455 0.805,456 1.706,457 1,458 2.967,459 1.414,460 0.447,461 0.502,463 0.889,464 0.426,465 1.411,466 0.674,467 2.817,468 1.24,469 0.264,470 0.297,472 0.481,473 0.256,474 14.767,475 0.476,476 0.606,477 0.02,478 39,479 1.258,480 19.5,481 0.629,482 19.5,483 0.629,484 27.264,485 0.879,486 33.233,487 0.563,488 30.313,489 0.978,490 7.62,491 0.246,492 7.532,493 0.243,494 0.079,496 0.305,501 0.738,502 1.234,503 0.845,504 1.041,505 0.551,506 0.961,507 0.65,508 1.184,509 0.923,510 1.08,511 0.562,512 1.037,513 0.949,514 1.02,515 0.956,516 0.973,517 1,518 0.968,519 1.303,520 1.079,521 1.066,522 0.996,523 1.213,524 0.994,525 1.174,526 1.027,527 1.011,528 0.973,529 1.052,530 0.962,531 1.291,532 1.143,533 1.117,534 1.161,535 1.466,536 1.131,537 1.53,538 0.985,539 1.134,540 1,541 1.659,542 1.02,543 1.384,544 0.846,545 0.948,546 0.819,547 1.427,548 0.827,549 5,550 0.173,551 3.111,552 1.875,553 1.911,554 0.972,555 0.487,556 0.378,557 0.3,558 0.233,559 13616,560 31502,561 2.104,562 47.5,563 6,564 15,567 3,568 2,569 2,572 1.737,573 2,574 3.528,575 0.812,577 1,582 86.374,583 1.464,584 3.534,585 4.588,586 5.232,587 5.463,588 5.463,589 2.868,590 4.438,591 4.93,592 3.736,593 1737.2,594 8.607,595 25356.7,597 1,600 347.076,601 1.277,602 4.899,603 0.147,604 0.006,605 0.068,606 0.038,607 0.042,608 0.021,609 0.012,610 0.012,611 0.011,612 0.008,613 0.363,614 0.33,615 1,616 0.646,617 162.141,618 -0.05,619 -0.036,620 0.037,621 0.028,622 -0.021,623 0.042,624 0.111,625 -0.066,626 -0.003,627 -0.054,628 0.043,629 -0.045,630 0.08,631 0.016,632 0.021,633 0.009,634 -0.019,635 0.003,636 -0.123,637 -0.041,638 -0.067,639 -0.043,640 -0.089,641 -0.046,642 0.048,643 0.004,644 -0.007,645 -0.019,646 0.14,647 -0.013,648 0.016,649 -0.155,650 -0.112,651 -0.187,652 -0.023,653 -0.171,654 -0.147,655 -0.052,656 -0.096,657 -0.059,658 -0.137,659 -0.07,660 -0.104,661 0.067,662 0.094,663 0.118,664 -0.061,665 0.132,666 1.896,667 5.749,668 0.645,669 29.034,670 0.994,671 1.125,672 2.213,673 4.897,674 0.662,675 3.555,676 3.85,677 4.127,678 4.394,679 4.663,680 4.691,681 4.796,682 4.905,683 4.963,684 4.828,685 7.322,686 0.624,687 416.57,688 3.555,689 5.081,690 5.927,691 6.797,692 7.664,693 8.543,694 9.421,695 10.305,696 11.188,697 12.076,698 6.8,700 1,705 2,708 1,714 2,715 9,716 1,720 4,722 17,741 59,743 19,744 2,745 34,747 62,748 25,749 15,750 3,751 9,756 4,757 7,767 4,770 6,772 17,773 8,777 2,782 2,786 2,790 1,793 28,794 6,795 3,796 6,802 4,808 0.5,809 2,822 1,829 4,833 2,843 2,853 1,859 2,864 1,868 31,876 6,877 3,880 1,893 3.4,896 2,901 15.5,902 10.617,903 6.972,904 3.69,907 3.133,908 1.405,909 0.992,910 6.833,911 10.873,912 3.818,913 4.382,914 4.943,915 5.524,916 6.123,917 6.371,918 6.727,919 7.089,920 7.376,921 7.214,922 0.875,923 49,924 11.548,926 4.925,927 0.026,929 7.699,931 22.263,933 18.46,936 2.199,937 68.167,940 1,941 294.278,942 134.472,943 70.818,945 50.29,948 134.472,949 344.567,950 70.818,951 8.396,952 50.8,953 103.297,954 76.485,955 16.602,957 294.278,959 294.278,960 205.29,961 50.29,964 270.735,965 73.832,968 73.711,969 114.793,970 16.786,972 294.278,973 121.108,974 134.472,977 294.278,978 40.789,979 93.683,980 54.032,981 67.075,982 294.278,983 121.108,984 134.472,986 0.568,987 0.337,988 0.189,989 0.109,990 21,991 9,992 0.113,993 7,994 2,995 1.2,996 4.258,997 275.983,998 0.2,999 20,1000 146.825,1005 21.328,1006 9.932,1007 5.054,1008 1.834,1009 121.108,1010 17.706,1011 4.803,1015 4.106,1017 54.032,1018 549.857,1019 44.5,1024 25.366,1028 -0.421,1031 58.665,1032 66.394,1034 0.249,1035 0.601,1036 0.78,1037 0.889,1038 0.929,1039 0.929,1040 5.039,1041 1.513,1042 5.889,1043 3.655,1044 4.533,1045 5.069,1046 2.674,1047 6.683,1048 4.504,1049 6.221,1050 1.347,1051 7.432,1052 3.329,1053 4.007,1054 4.832,1055 2.179,1056 7.564,1057 3.981,1058 7.516,1059 1.315,1060 9.08,1061 3.246,1062 6.098,1063 7.249,1064 3.697,1065 10.693,1066 6.038,1067 8.849,1068 1.247,1069 10.793,1070 2.918,1071 6.431,1072 7.882,1073 3.785,1074 12.451,1075 6.365,1076 10.217,1077 1,1078 12.549,1079 2.902,1080 7.956,1081 9.771,1082 4.895,1083 15.098,1084 7.864,1085 11.611,1086 0.824,1087 14.335,1088 2.136,1089 8.705,1090 10.837,1091 5.249,1092 17.228,1093 8.598,1094 13.025,1095 0.447,1096 16.144,1097 2.076,1098 9.995,1099 12.508,1100 6.162,1101 19.72,1102 9.866,1103 3.234,1104 0.264,1105 17.97,1106 0.889,1107 10.952,1108 13.801,1109 6.657,1110 22.015,1111 10.802,1112 2.826,1113 11.38,1114 19.809,1115 0.481,1116 12.147,1117 15.378,1118 7.464,1119 24.459,1120 11.977,1121 2.532,1122 8.686,1123 21.659,1124 4.566,1125 13.206,1126 16.786,1127 8.037,1128 26.827,1129 13.013,1130 2.442,1131 8.37,1132 23.518,1133 3.47,1134 14.368,1135 18.325,1136 8.785,1137 29.258,1138 14.155,1139 2.345,1140 6.998,1141 25.386,1142 3.441,1143 15.478,1144 19.791,1145 9.402,1146 31.659,1147 15.241,1148 1.999,1149 6.744,1150 27.26,1151 3.08,1152 16.632,1153 21.315,1154 10.118,1155 34.087,1156 16.374,1157 1.547,1158 5.704,1159 29.139,1160 2.966,1161 17.768,1162 22.807,1163 10.76,1164 36.504,1165 17.486,1166 12869,1167 19703,1168 23.057,1169 39.069,1170 50.079,1171 51.901,1172 51.485,1173 49.756,1174 49.819,1175 64.578,1176 9.465,1177 139.16,1178 49.142,1179 5.599,1180 5.748,1181 6.638,1182 5.255,1183 5.234,1184 7.566,1185 3.477,1186 18.912,1187 5.168,1188 12.438,1189 1.473,1190 1.527,1191 1.514,1192 1.463,1193 1.465,1194 1.899,1195 0.278,1196 4.093,1197 1.445,1198 4.114,1199 4.144,1200 4.076,1201 4.041,1202 7.433,1203 4.045,1204 3.935,1205 3.97,1206 3.86,1207 3.868,1208 7.424,1209 3.861,1210 3.733,1211 3.781,1212 3.64,1213 3.65,1214 4.969,1215 3.637,1216 3.711,1217 3.762,1218 3.613,1219 3.503,1220 4.752,1221 3.528,1222 3.532,1223 3.593,1224 3.438,1225 3.315,1226 4.407,1227 3.335,1228 3.263,1229 3.337,1230 3.128,1231 3.116,1232 4.31,1233 3.111,1234 3.17,1235 3.247,1236 3.031,1237 2.966,1238 4.121,1239 2.964,1240 3.121,1241 3.204,1242 2.945,1243 2.931,1244 3.984,1245 2.914,1246 0.137,1247 0.11,1248 0.201,1249 0.124,1250 0.095,1251 4.645,1252 0.134,1253 3.748,1254 0.058,1255 6.836,1256 0.335,1257 4.214,1258 0.093,1259 3.234,1260 4.566,1261 1.985,1262 11.38,1263 3.168,1264 2.071,1265 2.046,1266 2.156,1267 2.162,1268 1.432,1269 2.161,1270 1.926,1271 1.896,1272 2.057,1273 2.023,1274 1.241,1275 2.035,1276 1.754,1277 1.709,1278 1.949,1279 1.873,1280 1.147,1281 1.902,1282 1.631,1283 1.58,1284 1.814,1285 1.864,1286 0.934,1287 1.851,1288 1.46,1289 1.403,1290 1.679,1291 1.719,1292 0.816,1293 1.711,1294 1.247,1295 1.188,1296 1.519,1297 1.472,1298 0.752,1299 1.482,1300 1.158,1301 1.065,1302 1.463,1303 1.377,1304 0.615,1305 1.409,1306 1.131,1307 1.052,1308 1.423,1309 1.345,1310 0.61,1311 1.381,1312 4.234,1314 5.533,1316 7.041,1318 8.648,1320 10.312,1322 1.753,1328 4.548,1329 8.871,1332 -0.398,1340 36.837,1341 86.374,1342 208.508,1343 270.672,1344 308.711,1345 322.321,1346 322.321,1347 60.866,1348 7.74,1349 83.12,1350 83.12,1351 24,1352 12.607,1353 4.322,1354 3.524,1355 49.508,1356 138,1357 137,1358 0.172,1359 226.901,1360 394.1,1361 545.399,1362 27382,1364 21.631,1365 0.698,1366 0.574,1367 21.631,1368 17.78,1369 15.152,1370 0.446,1371 0.319,1372 10.741,1373 14.745,1374 10.492,1375 8.709,1376 15.152,1377 10.847,1378 13.12,1379 0.285,1380 0.172,1381 13.12,1382 7.933,1383 11.12,1384 0.182,1385 0.095,1386 11.12,1387 5.804,1388 9.259,1389 0.116,1390 0.052,1391 9.259,1392 4.165,1393 7.911,1394 0.075,1395 0.029,1396 7.911,1397 3.054,1398 0.274,1399 93.896,1400 0.208,1401 29.305,1402 0.462,1403 160,1404 422.115,1405 171.645,1406 413.782,1407 566.08,1408 388,1409 187,1410 412.16,1411 198.647,1412 419.409,1413 612.23,1414 397,1415 5.199}
{0 CHEMBL522286,1 1.334,2 13.949,3 7.774,4 60.432,5 159.653,6 6.89,7 0.6,8 4.408,9 4.532,10 3.933,11 4.013,12 5.365,13 3.967,14 4.987,15 5.164,16 4.294,17 4.452,18 5.865,19 4.375,20 5.285,21 5.522,22 4.384,23 4.596,24 6.091,25 4.49,26 5.309,27 5.538,28 4.344,29 4.586,30 6.139,31 4.475,32 5.332,33 5.566,34 4.274,35 4.606,36 6.122,37 4.472,38 5.387,39 5.645,40 4.157,41 4.624,42 6.092,43 4.451,44 5.387,45 5.674,46 4.118,47 4.564,48 6.058,49 4.383,50 5.232,51 5.498,52 4.182,53 4.458,54 5.982,55 4.325,56 0.076,57 1.062,58 16.707,59 7.243,60 11.296,61 9.947,62 0.183,63 1.833,64 31.283,65 12.869,66 20.684,67 17.985,68 0.28,69 2.415,70 43.964,71 16.853,72 33.047,73 24.411,74 0.431,75 2.488,76 45.472,77 16.492,78 41.527,79 23.684,80 0.497,81 2.496,82 46.642,83 17.321,84 40.928,85 24.875,86 0.34,87 2.533,88 49.443,89 19.922,90 35.811,91 28.464,92 0.33,93 2.448,94 50.359,95 20.652,96 37.832,97 29.592,98 0.248,99 2.093,100 42.739,101 17.554,102 33.394,103 24.741,105 63,106 0.203,107 0.509,108 0.646,109 0.726,110 0.75,111 0.75,112 3.693,113 0.978,114 -5.27,115 -5.15,116 -4.82,121 45.3,123 10,127 2,144 8,145 6,146 2,148 4,153 2,176 19,180 10,185 6,187 20,192 10,197 6,200 13,206 4,209 2,211 10,214 16,222 2,224 6,227 24,232 2,239 28,244 6,248 1,251 24,256 6,264 16,268 2,269 10,274 4,277 12,281 2933,282 27.62,283 27.62,284 27.62,285 27.62,286 27.62,287 24.424,288 25.61,289 16.557,290 27.843,291 22.31,292 22.31,293 22.31,294 22.31,295 22.31,296 17.32,297 24.938,298 7.846,299 22.689,300 4.895,301 2.89,302 1.987,303 1.467,304 1.307,305 1.307,306 4.427,312 1,313 1248,314 3.464,317 95.529,318 513.504,322 585.222,325 2.12,326 19.799,329 0.75,330 0.67,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.75,337 81,338 544,339 4.64,340 3.362,341 6.829,342 4.207,343 3.227,344 4.564,345 0.4,346 11.348,347 3.162,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 4.564,354 0.4,355 11.348,356 3.162,357 4.222,358 3.086,359 6.149,360 3.865,361 2.866,362 3.842,364 9.068,365 2.864,366 3.914,367 2.669,368 5.982,369 3.524,370 2.532,371 3.437,373 8.37,374 2.512,375 3.914,376 2.668,377 5.982,378 3.524,379 2.532,380 3.437,382 8.37,383 2.512,384 3.522,385 2.365,386 5.382,387 3.134,388 2.181,389 2.893,391 6.712,392 2.077,393 3.519,394 2.343,395 5.381,396 3.122,397 2.169,398 2.892,400 6.709,401 2.067,402 2.941,403 2.001,404 4.415,405 2.687,406 1.701,407 2.143,409 4.404,410 1.676,411 2.938,412 1.698,413 4.116,414 2.52,415 1.536,416 2.142,418 3.41,419 1.511,420 2.867,421 1.616,422 4.116,423 2.51,424 1.519,425 1.936,427 3.329,428 1.503,429 2.686,430 1.484,431 3.938,432 2.37,433 1.39,434 1.742,436 3.329,437 1.36,438 2.6,439 1.45,440 3.908,441 2.345,442 1.347,443 1.634,445 3.328,446 1.343,447 2.591,448 1.419,449 3.624,450 2.345,451 1.347,452 1.623,454 2.985,455 1.343,456 2.489,457 1.35,458 3.594,459 2.242,460 1.247,461 1.488,463 2.902,464 1.24,465 2.489,466 1.35,467 3.594,468 2.242,469 1.247,470 1.488,472 2.902,473 1.24,474 18.933,475 0.485,476 0.668,477 0.017,478 50,479 1.282,480 25,481 0.641,482 25,483 0.641,484 39.608,485 1.016,486 40.467,487 0.54,488 35.917,489 0.921,490 8.963,491 0.23,492 10.386,493 0.266,496 0.317,501 0.914,502 1.151,503 0.852,504 1.004,505 0.75,506 0.934,507 1.027,508 1.172,509 0.956,510 1.046,511 0.891,512 1.005,513 0.866,514 1.113,515 0.891,516 0.964,517 0.894,518 0.929,519 1.379,520 1.115,521 1.123,522 1.036,523 1.288,524 1.051,525 1.287,526 1.041,527 1.208,528 1.056,529 1.246,530 1.11,531 0.914,532 0.986,533 1.133,534 1.09,535 1.01,536 1.121,537 0.609,538 0.824,539 0.87,540 0.926,541 0.73,542 0.92,543 0.823,544 0.87,545 0.744,546 0.894,547 0.705,548 0.83,549 4.5,550 0.076,551 4.222,552 2.694,553 2.25,554 0.646,555 0.531,556 0.486,557 0.363,558 0.182,559 29268,560 57211,561 2.266,562 48,563 12,564 12,565 2,567 2,568 4,569 4,572 1.791,573 2.229,574 3.674,575 0.034,582 100.07,583 1.334,584 3.339,585 4.242,586 4.762,587 4.922,588 4.922,589 2.905,590 3.696,591 5.266,592 3.964,593 2937.62,594 9.263,595 52060.1,600 467.161,601 0.89,602 5.258,603 0.1,604 0.002,605 0.067,606 0.04,607 0.036,608 0.011,609 0.011,610 0.01,611 0.007,612 0.004,613 0.288,614 0.17,615 0.75,617 220.361,618 0.006,619 -0.027,620 0.075,621 0.026,622 0.139,623 0.052,624 -0.036,625 -0.101,626 -0.002,627 -0.038,628 0.041,629 -0.022,630 0.027,631 -0.074,632 0.087,633 0.012,634 0.062,635 0.048,636 -0.09,637 -0.046,638 -0.121,639 -0.084,640 -0.122,641 -0.103,642 -0.092,643 0.007,644 -0.214,645 -0.093,646 -0.2,647 -0.151,648 -0.113,649 -0.015,650 -0.16,651 -0.094,652 -0.168,653 -0.123,654 0.088,655 0.092,656 0.11,657 0.08,658 0.081,659 0.096,660 0.15,661 0.048,662 0.246,663 0.117,664 0.234,665 0.181,666 0.622,667 2.197,668 0.846,669 40.589,670 0.985,671 1.118,672 4.036,673 16.29,674 0.675,675 3.829,676 4.159,677 4.511,678 4.836,679 5.1,680 5.182,681 5.347,682 5.505,683 5.628,684 5.591,685 8.82,686 0.63,687 516.74,688 3.829,689 5.38,690 6.26,691 7.152,692 8.047,693 8.946,694 9.845,695 10.747,696 11.648,697 12.552,698 5.3,703 2,708 2,714 4,715 10,716 2,718 1,720 8,722 27,734 2,741 75,743 27,744 2,745 45,747 81,748 34,749 22,750 4,751 8,756 7,757 13,767 8,770 10,772 22,773 12,792 1,793 36,794 5,795 2,796 5,802 4,808 0.429,809 1,822 2,828 1,829 6,833 4,859 3,868 39,876 12,877 2,893 1.3,898 1,901 17.5,902 13.4,903 8.5,904 5.165,907 5.895,908 1.619,909 1.057,910 6.967,911 15.425,912 4.086,913 4.73,914 5.4,915 6.04,916 6.602,917 6.931,918 7.324,919 7.704,920 8.052,921 8.037,922 0.889,923 67,924 14.49,926 6.268,927 0.026,929 7.359,931 29.118,933 25.372,936 1.859,937 72.5,941 400.217,942 162.049,943 69.593,945 9.507,948 162.049,949 409.725,950 69.593,952 29.557,953 99.289,954 69.593,955 42.711,956 23.542,957 376.675,959 400.217,960 231.642,961 9.507,964 353.133,965 56.592,968 39.358,969 122.691,970 69.593,972 400.217,973 79.1,974 162.049,977 400.217,978 62.76,979 99.289,980 36.022,981 43.078,982 400.217,983 79.1,984 162.049,986 0.575,987 0.352,988 0.21,989 0.115,990 33,991 12,992 0.099,993 8,994 4,995 1.242,996 5.062,997 404.587,998 0.242,999 33,1000 168.131,1005 24.661,1006 11.019,1007 4.915,1008 4.674,1009 79.1,1010 20.964,1011 9.974,1013 5.697,1015 10.56,1017 36.022,1018 641.367,1019 58.5,1031 73.872,1032 83.846,1034 0.214,1035 0.536,1036 0.681,1037 0.765,1038 0.79,1039 0.79,1040 5.327,1041 1.701,1042 6.225,1043 6.709,1044 4.844,1045 5.418,1046 0.495,1047 7.064,1048 4.81,1049 6.527,1050 1.536,1051 7.789,1052 4.404,1053 4.29,1054 5.247,1056 8.015,1057 4.24,1058 7.843,1059 1.519,1060 9.461,1061 3.41,1062 6.447,1063 7.705,1064 0.097,1065 11.18,1066 6.379,1067 9.204,1068 1.39,1069 11.202,1070 3.329,1071 6.815,1072 8.451,1074 13.01,1075 6.731,1076 10.604,1077 1.347,1078 12.986,1079 3.329,1080 8.363,1081 10.33,1082 0.016,1083 15.67,1084 8.263,1085 12.032,1086 1.347,1087 14.801,1088 3.328,1089 9.161,1090 11.487,1092 17.841,1093 9.044,1094 13.481,1095 1.247,1096 16.636,1097 2.985,1098 10.465,1099 13.142,1100 0.003,1101 20.342,1102 10.331,1103 3.227,1104 1.247,1105 18.486,1106 2.902,1107 11.462,1108 14.489,1110 22.655,1111 11.309,1112 3.226,1113 11.348,1114 20.347,1115 2.902,1116 12.67,1117 16.054,1119 25.103,1120 12.5,1121 2.866,1122 11.348,1123 22.216,1124 4.564,1125 13.758,1126 17.49,1128 27.478,1129 13.566,1130 2.532,1131 9.068,1132 24.092,1133 4.564,1134 14.931,1135 19.021,1137 29.909,1138 14.72,1139 2.532,1140 8.37,1141 25.974,1142 3.842,1143 16.059,1144 20.498,1146 32.311,1147 15.826,1148 2.181,1149 8.37,1150 27.86,1151 3.437,1152 17.222,1153 22.016,1155 34.739,1156 16.969,1157 2.169,1158 6.712,1159 29.751,1160 3.437,1161 18.369,1162 23.513,1164 37.154,1165 18.094,1166 25917,1167 36408,1168 31.898,1169 50.66,1170 67.301,1171 67.677,1172 68.368,1173 67.225,1174 67.249,1175 87.992,1176 1.6,1177 193.924,1178 66.081,1179 5.588,1180 5.362,1181 6.515,1182 5.248,1183 5.227,1184 7.564,1185 0.8,1186 18.879,1187 5.162,1189 1.496,1190 1.504,1191 1.519,1192 1.494,1193 1.494,1194 1.955,1195 0.036,1196 4.309,1197 1.468,1198 4.141,1199 4.172,1200 4.098,1201 4.065,1202 5.073,1203 4.069,1204 4.088,1205 4.117,1206 4.051,1207 4.018,1208 4.982,1209 4.023,1210 3.943,1211 3.959,1212 3.888,1213 3.824,1214 4.954,1215 3.835,1216 3.733,1217 3.782,1218 3.618,1219 3.651,1220 4.412,1221 3.637,1222 3.731,1223 3.78,1224 3.616,1225 3.649,1226 4.411,1227 3.635,1228 3.505,1229 3.587,1230 3.356,1231 3.326,1232 4.225,1233 3.321,1234 3.415,1235 3.481,1236 3.287,1237 3.224,1238 4.21,1239 3.228,1240 3.211,1241 3.272,1242 3.078,1243 3.094,1244 3.982,1245 3.081,1246 0.103,1247 0.075,1248 0.152,1249 0.093,1250 0.072,1251 4.64,1252 0.101,1253 3.362,1254 0.009,1255 6.829,1256 0.252,1257 4.207,1258 0.07,1259 3.227,1260 4.564,1261 0.4,1262 11.348,1263 3.162,1264 2.072,1265 2.047,1266 2.159,1267 2.163,1268 1.435,1269 2.164,1270 2.071,1271 2.046,1272 2.157,1273 2.162,1274 1.434,1275 2.162,1276 1.755,1277 1.715,1278 1.951,1279 1.879,1280 1.242,1281 1.906,1282 1.754,1283 1.709,1284 1.949,1285 1.872,1286 1.157,1287 1.902,1288 1.75,1289 1.706,1290 1.924,1291 1.87,1292 1.136,1293 1.893,1294 1.518,1295 1.455,1296 1.767,1297 1.742,1298 1.027,1299 1.752,1300 1.302,1301 1.249,1302 1.495,1303 1.533,1304 0.758,1305 1.49,1306 1.265,1307 1.23,1308 1.468,1309 1.468,1310 0.754,1311 1.48,1312 4.511,1314 5.838,1315 2.398,1316 7.38,1317 4.595,1318 9.027,1319 6.555,1320 10.732,1328 13.004,1329 7.627,1340 47.229,1341 100.07,1342 250.393,1343 318.142,1344 357.161,1345 369.161,1346 369.161,1347 50.952,1348 9.53,1349 62.98,1350 62.98,1351 41,1352 13.072,1353 4.807,1354 3.858,1355 50.673,1356 213,1357 148,1358 0.113,1359 281.201,1360 476.85,1361 677.89,1362 284862,1364 26.02,1365 0.667,1366 0.578,1367 26.02,1368 22.561,1369 19.348,1370 0.43,1371 0.326,1372 14.574,1373 18.956,1374 14.297,1375 11.765,1376 19.348,1377 14.676,1378 16.946,1379 0.269,1380 0.175,1381 16.946,1382 11.048,1383 15.323,1384 0.17,1385 0.095,1386 15.323,1387 8.564,1388 13.745,1389 0.11,1390 0.053,1391 13.745,1392 6.582,1393 11.644,1394 0.071,1395 0.03,1396 11.644,1397 4.929,1398 0.182,1399 118.816,1400 0.177,1401 35.456,1402 0.296,1403 216,1404 471.691,1405 226.428,1406 469.329,1407 679.1,1408 448,1409 261,1410 528.469,1411 272.982,1412 539.102,1413 799.75,1414 514,1415 7.877}
{0 CHEMBL523311,1 1.384,2 10.833,3 3.973,4 15.782,5 97.599,6 6.683,7 0.48,8 3.945,9 4.062,10 3.41,11 3.455,12 5.01,13 3.416,14 4.481,15 4.678,16 3.69,17 3.787,18 5.447,19 3.732,20 4.641,21 4.833,22 3.833,23 3.952,24 5.683,25 3.88,26 4.785,27 4.994,28 3.769,29 4.005,30 5.813,31 3.897,32 4.858,33 5.112,34 3.643,35 3.989,36 5.796,37 3.843,38 4.707,39 4.963,40 3.492,41 3.877,42 5.62,43 3.707,44 4.621,45 4.901,46 3.319,47 3.647,48 5.53,49 3.492,50 4.254,51 4.472,52 3.195,53 3.407,54 5.239,55 3.306,56 0.023,57 0.638,58 11.115,59 4.864,60 8.31,61 6.476,62 0.221,63 0.995,64 20.32,65 7.274,66 20.807,67 10.03,68 0.272,69 1.171,70 23.619,71 8.993,72 29.895,73 12.391,74 0.231,75 1.285,76 27.498,77 10.516,78 42.874,79 14.383,80 0.429,81 1.317,82 30.164,83 11.161,84 53.504,85 15.634,86 0.224,87 1.172,88 25.201,89 10.227,90 38.29,91 14.516,92 0.303,93 0.993,94 24.026,95 8.522,96 45.034,97 12.106,98 0.182,99 0.721,100 16.4,101 5.87,102 26.297,103 8.007,104 44,105 33,106 0.237,107 0.52,108 0.685,109 0.753,110 0.77,111 0.777,112 3.228,113 0.985,114 -4.54,115 -4.46,116 -4.2,121 40.8,122 2,126 2,127 3,144 7,145 3,146 2,159 1,176 9,180 7,187 9,191 1,192 10,200 8,206 7,214 10,218 1,219 3,227 11,231 1,232 3,239 8,243 1,244 5,251 3,256 5,269 4,277 2,281 824,282 16.411,283 16.411,284 16.411,285 16.411,286 16.411,287 14.935,288 18.75,289 9.556,290 16.91,291 12.025,292 12.025,293 12.025,294 12.025,295 12.025,296 9.63,297 21.585,298 4.15,299 12.535,300 4.23,301 2.579,302 1.621,303 1.22,304 1.123,305 1.082,306 3.89,310 1,311 1,312 1,313 525,314 3.674,318 177.483,325 1.847,326 19.623,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 51.5,338 260,339 4.398,340 3.589,341 6.429,342 4.04,343 3.037,344 4.036,345 0.916,346 9.852,347 3.057,348 4.131,349 3.161,350 6.099,351 3.736,352 2.774,353 3.717,354 0.86,355 8.828,356 2.66,357 3.843,358 2.979,359 5.566,360 3.557,361 2.597,362 3.225,363 0.86,364 7.594,365 2.494,366 3.423,367 2.436,368 5.207,369 3.166,370 2.209,371 2.647,372 0.172,373 6.296,374 2.1,375 3.18,376 2.198,377 4.923,378 2.858,379 1.875,380 2.273,382 5.576,383 1.835,384 2.919,385 1.983,386 4.374,387 2.521,388 1.609,389 2.057,391 4.129,392 1.461,393 2.521,394 1.838,395 3.723,396 2,397 1,398 1.5,400 2.356,401 1,402 2.5,403 1.051,404 3.414,405 1.998,406 0.97,407 1.389,409 2.275,410 0.984,411 1.866,412 1,413 3.024,414 1.591,415 0.618,416 0.746,418 1.127,419 0.6,420 1.618,421 0.934,422 2.873,423 1.533,424 0.618,425 0.618,427 0.791,428 0.559,429 1.453,430 0.744,431 2.618,432 1.237,433 0.335,434 0.365,436 0.488,437 0.288,438 1.405,439 0.534,440 2.558,441 1.172,442 0.239,443 0.266,445 0.393,446 0.23,447 0.873,448 0.048,449 2.371,450 0.619,451 -0.376,452 -0.435,454 -0.663,455 -0.369,456 0.82,457 -0.154,458 2.128,459 0.43,460 -0.523,461 -0.645,463 -0.929,464 -0.487,465 0.583,466 -0.493,467 2,468 0.135,469 -0.833,470 -1.102,472 -2.218,473 -0.798,474 11.4,475 0.475,476 0.465,477 0.019,478 29,479 1.208,480 14.5,481 0.604,482 14.5,483 0.604,484 19.395,485 0.808,486 27,487 0.551,488 21.817,489 0.909,490 6.048,491 0.252,492 5.574,493 0.232,494 0.205,496 0.298,501 0.779,502 1.399,503 0.887,504 1.261,505 0.632,506 1.114,507 1.289,508 0.881,509 0.929,510 0.802,511 0.765,512 0.799,513 0.894,514 1.049,515 0.932,516 1.029,517 0.759,518 0.981,519 1.102,520 1.167,521 1.086,522 1.169,523 1.367,524 1.132,525 0.95,526 0.873,527 0.979,528 0.905,529 1.062,530 0.942,531 0.375,532 1.144,533 0.917,534 1.185,535 0.569,536 1.14,537 0.954,538 0.853,539 0.865,540 0.866,541 1.382,542 0.86,543 1.399,544 1.099,545 1.091,546 1.058,547 1.628,548 1.04,549 5,550 0.091,551 2.889,552 1.688,553 1.316,554 0.771,555 0.526,556 0.307,557 0.206,558 0.127,559 5977,560 14238,561 1.948,562 51,564 19,569 6,572 1.666,573 1.8,574 3.42,575 -0.823,577 1,582 67.831,583 1.384,584 3.036,585 3.994,586 4.395,587 4.492,588 4.533,589 2.928,590 4.002,591 4.552,592 3.578,593 987.56,594 7.842,595 11888.9,597 1,599 1,600 275.121,601 1.49,602 4.498,603 0.2,604 0.007,605 0.088,606 0.046,607 0.04,608 0.027,609 0.022,610 0.015,611 0.011,612 0.008,613 0.463,614 0.33,615 1,616 1.475,617 115.589,618 0.014,619 -0.201,620 0.054,621 -0.119,622 -0.027,623 -0.042,624 -0.142,625 0.221,626 0.077,627 0.203,628 -0.018,629 0.18,630 0.08,631 0.046,632 0.045,633 0.003,634 0.157,635 0.022,636 -0.081,637 -0.145,638 -0.109,639 -0.149,640 -0.041,641 -0.135,642 0.012,643 0.082,644 -0.003,645 0.075,646 -0.002,647 0.04,648 0.185,649 -0.175,650 0.002,651 -0.167,652 0.127,653 -0.117,654 0.04,655 0.054,656 0.121,657 0.078,658 -0.026,659 0.104,660 -0.132,661 -0.117,662 -0.079,663 -0.073,664 -0.163,665 -0.071,666 1.689,667 5.653,668 0.5,669 23.889,670 0.994,671 1.125,672 3.308,673 10.945,674 0.643,675 3.258,676 3.526,677 3.784,678 3.932,679 4.111,680 4.127,681 4.205,682 4.205,683 4.159,684 4.111,685 6.418,686 0.602,687 327.46,688 3.258,689 4.762,690 5.595,691 6.444,692 7.294,693 8.149,694 9.004,695 9.863,696 10.722,697 11.583,698 2,701 1,715 7,720 5,722 12,727 1,739 2,741 49,743 13,744 2,745 25,747 50,748 20,749 12,750 5,751 7,752 1,756 2,757 2,763 2,772 13,773 7,777 1,782 1,786 1,790 1,793 25,794 4,796 4,802 1,808 1,809 3,829 2,855 1,859 2,864 4,868 24,876 3,878 2,881 1,893 6.1,896 1,898 2,901 13.333,902 10.033,903 5.75,904 3.071,907 2.207,908 1.334,909 0.925,910 6.68,911 8.816,912 3.497,913 4.025,914 4.59,915 5.07,916 5.597,917 5.78,918 6.069,919 6.226,920 6.456,921 6.718,922 1,923 37,924 8.868,926 3.53,927 0.026,929 7.688,931 17.029,933 13.078,936 2.188,937 52.5,939 1,940 1,941 294.278,942 137.244,943 3.124,945 47.145,948 137.244,949 341.422,950 3.124,951 39.417,952 6.317,953 66.334,954 30.278,955 45.168,957 294.278,959 294.278,960 140.369,961 47.145,964 223.651,965 117.771,968 27.092,969 113.277,972 294.278,973 50.269,974 137.244,977 294.278,978 31.494,979 108.875,981 47.145,982 294.278,983 50.269,984 137.244,986 0.561,987 0.352,988 0.177,989 0.09,990 13,991 7,992 0.16,993 8,995 1,996 3.541,997 179.788,999 12,1000 102.039,1005 18.34,1006 8.741,1007 4.521,1009 50.269,1010 13.035,1015 3.641,1018 481.791,1019 32,1024 12.653,1028 -0.023,1031 48.687,1032 55.109,1034 0.247,1035 0.541,1036 0.711,1037 0.783,1038 0.8,1039 0.807,1040 4.7,1041 0.97,1042 5.565,1043 2.356,1044 4.205,1045 4.71,1046 1.698,1047 6.344,1048 4.143,1049 5.882,1050 0.618,1051 7.116,1052 2.275,1053 3.761,1054 4.46,1055 0.325,1056 7.231,1057 3.693,1058 7.175,1059 0.618,1060 8.764,1061 1.127,1062 5.778,1063 6.851,1064 1.422,1065 10.257,1066 5.68,1067 8.505,1068 0.335,1069 10.467,1070 0.791,1071 6.155,1072 7.407,1073 0.393,1074 11.913,1075 6.056,1076 9.866,1077 0.239,1078 12.204,1079 0.488,1080 7.612,1081 9.271,1082 1.2,1083 14.462,1084 7.5,1085 11.248,1086 -0.376,1087 13.964,1088 0.393,1089 8.356,1090 10.197,1091 0.384,1092 16.441,1093 8.248,1094 12.645,1095 -0.523,1096 15.739,1097 -0.663,1098 9.591,1099 11.832,1100 1.01,1101 18.819,1102 9.479,1103 3.037,1104 -0.833,1105 17.527,1106 -0.929,1107 10.51,1108 12.951,1109 0.351,1110 20.946,1111 10.405,1112 2.774,1113 9.852,1114 19.325,1115 -2.218,1116 11.653,1117 14.47,1118 0.845,1119 23.258,1120 11.551,1121 2.597,1122 8.828,1123 21.129,1124 4.036,1125 12.657,1126 15.698,1127 0.312,1128 25.456,1129 12.565,1130 2.209,1131 7.594,1132 22.941,1133 3.717,1134 13.762,1135 17.154,1136 0.702,1137 27.741,1138 13.678,1139 1.875,1140 6.296,1141 24.757,1142 3.225,1143 14.808,1144 18.444,1145 0.273,1146 29.975,1147 14.736,1148 1.609,1149 5.576,1150 26.578,1151 2.647,1152 15.901,1153 19.866,1154 0.579,1155 32.251,1156 15.839,1157 1,1158 4.129,1159 28.403,1160 2.273,1161 16.968,1162 21.194,1163 0.236,1164 34.504,1165 16.919,1166 6170,1167 9695,1168 16.008,1169 31.506,1170 35.794,1171 37.481,1172 38.466,1173 35.684,1174 35.762,1175 45.678,1176 5.618,1177 99.411,1178 34.536,1179 5.222,1180 5.589,1181 6.047,1182 5.04,1183 5.037,1184 7.036,1185 1.776,1186 16.683,1187 5.057,1188 14.235,1189 1.432,1190 1.499,1191 1.539,1192 1.427,1193 1.43,1194 1.827,1195 0.225,1196 3.976,1197 1.381,1198 4.012,1199 4.031,1200 3.966,1201 3.942,1202 7.427,1203 3.945,1204 3.862,1205 3.888,1206 3.802,1207 3.781,1208 4.923,1209 3.782,1210 3.666,1211 3.736,1212 3.532,1213 3.478,1214 4.702,1215 3.479,1216 3.339,1217 3.407,1218 3.251,1219 3.144,1220 4.496,1221 3.163,1222 3.306,1223 3.369,1224 3.051,1225 3.123,1226 4.282,1227 3.089,1228 3.247,1229 3.314,1230 3.04,1231 2.954,1232 4.25,1233 2.962,1234 3.132,1235 3.202,1236 2.948,1237 2.922,1238 3.892,1239 2.917,1240 2.897,1241 2.965,1242 2.702,1243 2.735,1244 3.674,1245 2.715,1246 0.176,1247 0.144,1248 0.257,1249 0.162,1250 0.121,1251 4.398,1252 0.161,1253 3.589,1254 0.037,1255 6.429,1256 0.394,1257 4.04,1258 0.122,1259 3.037,1260 4.036,1261 0.916,1262 9.852,1263 3.057,1264 1.97,1265 1.953,1266 2.066,1267 2.059,1268 1.241,1269 2.061,1270 1.843,1271 1.822,1272 1.96,1273 1.965,1274 1.11,1275 1.965,1276 1.638,1277 1.564,1278 1.882,1279 1.841,1280 1.021,1281 1.857,1282 1.351,1283 1.256,1284 1.725,1285 1.584,1286 0.869,1287 1.638,1288 1.266,1289 1.234,1290 1.576,1291 1.531,1292 0.634,1293 1.541,1294 1.192,1295 1.115,1296 1.571,1297 1.522,1298 0.574,1299 1.537,1300 1.128,1301 1.053,1302 1.424,1303 1.348,1304 0.567,1305 1.377,1306 0.886,1307 0.821,1308 1.181,1309 1.122,1310 0.218,1311 1.124,1312 3.932,1314 5.209,1316 6.701,1318 8.28,1320 9.902,1322 7.443,1328 2.934,1330 10.477,1333 2.338,1340 29.487,1341 67.831,1342 148.759,1343 195.695,1344 215.346,1345 220.101,1346 222.101,1347 47.645,1348 6.609,1349 38.77,1350 38.77,1351 12,1352 12.133,1353 3.807,1354 3,1355 48.648,1356 92,1357 86,1358 0.263,1359 186.122,1360 326.93,1361 445.897,1362 5565,1364 17.527,1365 0.73,1366 0.618,1367 17.527,1368 14.835,1369 11.621,1370 0.465,1371 0.328,1372 8.076,1373 11.132,1374 7.728,1375 6.538,1376 11.621,1377 8.205,1378 9.468,1379 0.287,1380 0.168,1381 9.468,1382 5.557,1383 8.429,1384 0.196,1385 0.097,1386 8.429,1387 4.162,1388 6.306,1389 0.126,1390 0.052,1391 6.306,1392 2.611,1393 4.788,1394 0.08,1395 0.028,1396 4.788,1397 1.654,1398 0.417,1399 73.148,1400 0.25,1401 23.679,1402 0.709,1403 116,1404 346.852,1405 125.942,1406 327.303,1407 441.71,1408 308,1409 134,1410 311.84,1411 144.747,1412 320.065,1413 462.71,1414 297,1415 4.434}
{0 CHEMBL52347,1 1.352,2 4.667,3 1.608,4 2.586,5 46.24,6 8.787,7 0.462,8 3.011,9 3.076,10 2.719,11 2.721,12 4.304,13 2.709,14 3.453,15 3.536,16 3.06,17 3.063,18 4.789,19 3.045,20 3.697,21 3.827,22 3.128,23 3.088,24 5.275,25 3.068,26 3.531,27 3.687,28 2.727,29 2.769,30 4.958,31 2.728,32 3.178,33 3.373,34 2.108,35 2.204,36 4.598,37 2.145,38 2.448,39 2.68,40 1.079,41 1.267,42 3.799,43 1.187,44 1.143,45 1.366,46 0.113,47 0.276,48 2.197,49 0.229,56 0.021,57 0.18,58 2.157,59 1.498,60 6.761,61 1.614,62 0.04,63 0.291,64 3.739,65 2.425,66 12.47,67 2.613,68 0.191,69 0.397,70 6.704,71 3.311,72 48.027,73 3.691,74 0.134,75 0.345,76 6.269,77 2.877,78 31.388,79 3.026,80 0.144,81 0.252,82 5.424,83 2.101,84 32.484,85 2.165,86 0.096,87 0.123,88 3.107,89 1.023,90 22.279,91 1.028,92 0.029,93 0.027,94 0.808,95 0.222,96 6.889,97 0.215,104 5,105 18,106 0.291,107 0.521,108 0.707,109 0.826,110 0.874,111 0.898,112 2.602,113 0.841,114 -3.17,115 -3.16,116 -3.04,121 55.6,137 2,144 4,145 2,158 1,159 1,176 8,180 2,187 9,191 1,192 5,200 7,206 5,214 3,219 3,227 1,232 1,281 92,282 8.052,283 8.052,284 8.052,285 8.052,286 8.052,287 7.012,288 1.747,289 4.727,290 7.998,291 6.379,292 6.379,293 6.379,294 6.379,295 6.379,296 4.665,297 0.589,298 2.209,299 6.259,300 2.818,301 1.751,302 0.889,303 0.333,304 0.111,306 3.233,312 1,313 117,314 1.414,318 45.609,322 39.255,325 0.722,326 16.272,329 1,330 0.67,331 0.83,332 0.4,334 1,335 1,336 0.7,337 26,338 56,339 4.453,340 3.813,341 6.598,342 4.114,343 3.09,344 4.056,346 10.364,347 3.162,348 3.715,349 2.923,350 5.543,351 3.332,352 2.295,353 3.074,355 6.92,356 2.37,357 3.223,358 2.54,359 4.632,360 2.756,361 1.737,362 2.387,364 4.696,365 1.767,366 2.892,367 1.541,368 3.641,369 2.423,370 1.414,371 2.045,373 3.024,374 1.424,375 2.474,376 1.313,377 3.46,378 1.905,379 0.879,380 1.348,382 2.074,383 0.898,384 2.11,385 0.852,386 2.755,387 1.328,388 0.231,389 0.411,391 0.506,392 0.251,393 0.988,394 0.093,395 2.341,396 0.576,397 -0.449,398 -0.593,400 -1.07,401 -0.457,402 0.621,403 -0.718,404 2,405 0.16,406 -0.859,407 -1.263,409 -2.056,410 -0.873,411 0.315,412 -0.729,413 1.494,414 -0.144,415 -1.211,416 -1.71,418 -2.965,419 -1.272,420 -0.085,421 -1.182,422 1.328,423 -0.351,424 -1.414,425 -2,427 -4.038,428 -1.527,429 -0.378,430 -1.647,431 1.178,432 -0.699,433 -1.714,434 -2.216,436 -4.739,437 -1.744,438 -0.5,439 -2,440 0.714,441 -1,442 -2,443 -2.539,445 -5.586,446 -2,447 -0.828,448 -2,449 0.316,450 -1,451 -2,452 -3,454 -7.129,455 -2,474 5.667,475 0.472,476 0.298,477 0.025,478 17.5,479 1.458,480 10.5,481 0.875,482 7,483 0.583,484 5.171,485 0.431,486 11.733,487 0.652,488 10.169,489 0.847,490 3.688,491 0.307,492 2.1,493 0.175,494 0.118,496 0.353,501 0.457,502 0.805,503 0.594,504 0.803,505 0.506,506 0.752,507 0.579,508 1.02,509 0.752,510 1.018,511 0.612,512 0.952,513 0.717,514 1.007,515 0.83,516 1.005,517 0.713,518 0.962,519 1.195,520 1.195,521 1.195,522 1.195,523 1.175,524 1.195,525 1.594,526 1.043,527 1.378,528 1.046,529 1.561,530 1.128,531 2.087,532 0.765,533 1.568,534 0.772,535 2.054,536 0.969,537 2.753,539 1.673,540 0.014,541 2.73,542 0.426,549 2,551 1.778,552 0.875,553 0.707,554 0.146,555 0.04,559 759,560 2635,561 2.04,562 33.3,564 6,572 1.463,573 1.895,574 2.346,575 -0.807,582 24.33,583 1.352,584 2.419,585 3.281,586 3.837,587 4.059,588 4.17,589 1.784,590 2.689,591 3.566,592 2.289,593 151.044,594 5.885,595 1047.54,597 1,600 75.059,601 1.459,602 3.507,603 0.154,605 0.099,606 0.049,607 0.064,608 0.029,609 0.04,613 0.435,614 1,615 1,616 0.73,617 40.52,618 0.001,619 0.042,620 0.017,621 0.042,622 -0.044,623 0.036,624 -0.005,625 -0.16,626 -0.066,627 -0.159,628 -0.032,629 -0.136,630 0.19,631 -0.076,632 0.085,633 -0.075,634 0.196,635 -0.035,636 -0.143,637 -0.241,638 -0.182,639 -0.24,640 -0.125,641 -0.226,642 -0.266,643 -0.018,644 -0.168,645 -0.019,646 -0.239,647 -0.056,648 -0.427,649 0.35,650 -0.122,651 0.346,652 -0.404,653 0.23,654 -0.694,655 1.25,656 0.069,657 1.24,658 -0.683,659 0.95,666 2.103,667 4.216,668 0.833,669 4,670 1.017,671 1.092,672 1.942,673 3.77,674 0.733,675 2.639,676 2.944,677 3.219,678 3.401,679 3.584,680 3.401,681 3.258,682 3.091,683 2.944,684 1.792,685 2.975,686 0.723,687 158.16,688 2.639,689 4.143,690 4.99,691 5.855,692 6.72,693 7.589,694 8.458,695 9.328,696 10.198,697 11.068,715 4,720 2,722 6,727 1,741 18,743 9,744 1,745 13,747 19,748 10,749 6,750 2,751 4,752 4,756 2,757 3,772 10,777 3,782 2,784 2,786 2,793 6,794 2,796 2,808 0.5,809 2,829 2,833 1,841 1,849 2,859 1,868 12,893 11.1,896 2,901 6.333,902 3.333,903 2.667,904 1.049,907 1.919,908 1.353,909 0.991,910 1.408,911 7.361,912 2.996,913 3.541,914 4.155,915 4.624,916 5.133,917 5.235,918 5.45,919 5.521,920 5.694,921 5.03,922 1,923 18,924 4.425,925 0.006,926 1.932,927 0.026,929 8.222,931 8.097,932 0.002,933 6.576,934 -0.002,936 2.722,937 32.667,938 0.006,941 70.627,942 73.496,945 50.29,948 73.496,949 120.916,953 56.857,954 60.557,955 6.371,957 70.627,959 70.627,960 73.496,961 50.29,964 70.627,965 50.29,969 54.543,970 18.952,972 70.627,973 50.29,974 73.496,977 70.627,978 16.638,979 56.857,981 50.29,982 70.627,983 50.29,984 73.496,986 0.583,987 0.356,988 0.183,989 0.097,990 10,991 4,994 1,995 1.2,996 2.375,997 71.818,998 0.2,999 10,1000 41.02,1005 6.988,1006 2.418,1007 1.015,1009 50.29,1010 7.074,1015 1.326,1018 194.412,1019 19,1024 22.136,1026 2.976,1028 -0.846,1031 18.305,1032 19.664,1034 0.324,1035 0.58,1036 0.787,1037 0.92,1038 0.973,1039 1,1040 4.197,1041 -0.859,1042 4.977,1043 -1.07,1044 3.611,1045 4.22,1047 5.79,1048 3.653,1049 5.408,1050 -1.211,1051 6.547,1052 -2.056,1053 3.219,1054 3.951,1056 6.735,1057 3.311,1058 6.711,1059 -1.414,1060 8.225,1061 -2.965,1062 5.198,1063 6.377,1065 9.844,1066 5.283,1067 8.053,1068 -1.714,1069 9.965,1070 -4.038,1071 5.638,1072 6.947,1074 11.612,1075 5.779,1076 9.429,1077 -2,1078 11.745,1079 -4.739,1080 7.106,1081 8.821,1083 14.246,1084 7.238,1085 10.83,1086 -2,1087 13.55,1088 -5.586,1089 7.928,1090 9.796,1092 16.34,1093 8.108,1094 12.251,1096 15.373,1097 -7.129,1098 9.19,1099 11.428,1101 18.803,1102 9.371,1103 3.09,1105 17.21,1107 10.184,1108 12.608,1110 21.033,1111 10.403,1112 2.295,1113 10.364,1114 19.057,1116 11.363,1117 14.125,1119 23.427,1120 11.593,1121 1.737,1122 6.92,1123 20.911,1124 4.056,1125 12.433,1126 15.41,1128 25.716,1129 12.693,1130 1.414,1131 4.696,1132 22.771,1133 3.074,1134 13.58,1135 16.871,1137 28.08,1138 13.856,1139 0.879,1140 3.024,1141 24.636,1142 2.387,1143 14.682,1144 18.21,1146 30.396,1147 14.985,1148 0.231,1149 2.074,1150 26.504,1151 2.045,1152 15.817,1153 19.641,1155 32.746,1156 16.139,1157 -0.449,1158 0.506,1159 28.376,1160 1.348,1161 16.933,1162 21.009,1164 35.074,1165 17.28,1166 811,1167 1562,1168 8.553,1169 13.193,1170 20.196,1171 21.533,1172 20.054,1173 19.348,1174 19.292,1175 26.643,1177 55.166,1178 19.746,1179 5.28,1180 5.813,1181 6.281,1182 5.114,1183 5.09,1184 7.056,1186 17.493,1187 5.162,1188 4.9,1189 1.554,1190 1.656,1191 1.543,1192 1.488,1193 1.484,1194 2.049,1196 4.244,1197 1.519,1198 4.005,1199 4.018,1200 3.965,1201 3.944,1202 7.497,1203 3.946,1204 3.515,1205 3.532,1206 3.45,1207 3.39,1208 7.352,1209 3.399,1210 3.113,1211 3.132,1212 3.035,1213 2.963,1214 4.737,1215 2.977,1216 2.728,1217 2.744,1218 2.664,1219 2.575,1220 4.151,1221 2.587,1222 2.672,1223 2.731,1224 2.512,1225 2.49,1226 3.621,1227 2.492,1228 2.133,1229 2.13,1230 2.038,1231 1.671,1232 3.286,1233 1.769,1234 1.598,1235 1.773,1236 1.097,1237 1.186,1238 2.504,1239 1.145,1240 1.47,1241 1.684,1242 0.887,1243 1.039,1244 1.992,1245 0.966,1246 0.343,1247 0.293,1248 0.508,1249 0.316,1250 0.238,1251 4.453,1252 0.312,1253 3.813,1255 6.598,1256 0.797,1257 4.114,1258 0.243,1259 3.09,1260 4.056,1262 10.364,1263 3.162,1264 1.977,1265 1.963,1266 2.063,1267 2.054,1268 1.162,1269 2.056,1270 1.475,1271 1.453,1272 1.626,1273 1.626,1274 0.632,1275 1.622,1276 1.057,1277 1.036,1278 1.225,1279 1.245,1280 0.255,1281 1.233,1282 0.677,1283 0.645,1284 0.933,1285 0.893,1286 0.006,1287 0.913,1288 0.641,1289 0.596,1290 0.845,1291 0.864,1293 0.853,1296 0.394,1297 0.379,1299 0.335,1302 0.299,1303 0.101,1305 0.154,1308 0.086,1309 0.036,1311 0.125,1312 3.296,1314 4.595,1316 6.129,1318 7.768,1320 9.455,1340 13.01,1341 24.33,1342 43.549,1343 59.059,1344 69.059,1345 73.059,1346 75.059,1347 17.823,1348 5.442,1349 34.14,1350 34.14,1351 12,1352 11.611,1353 3.322,1354 2.807,1355 16.979,1356 22,1357 16,1358 0.436,1359 82.335,1360 147.68,1361 192.658,1362 1152,1364 8.552,1365 0.713,1366 0.523,1367 8.552,1368 6.281,1369 5.788,1370 0.445,1371 0.28,1372 3.618,1373 5.657,1374 3.543,1375 2.934,1376 5.788,1377 3.646,1378 5.122,1379 0.285,1380 0.145,1381 5.122,1382 2.614,1383 4.534,1384 0.189,1385 0.077,1386 4.534,1387 1.843,1388 3.449,1389 0.119,1390 0.042,1391 3.449,1392 1.223,1393 2.764,1394 0.079,1395 0.023,1396 2.764,1397 0.807,1398 0.611,1399 35.881,1400 0.342,1401 11.68,1402 1.417,1403 62,1404 213.471,1405 66.207,1406 205.988,1407 270.86,1408 190,1409 73,1410 187.273,1411 77.429,1412 190.956,1413 278.91,1414 180,1415 6.495}
{0 CHEMBL525917,1 1.427,2 13,3 4.016,4 16.131,5 128.259,6 7.01,7 0.583,8 4.202,9 4.339,10 3.722,11 3.771,12 5.231,13 3.734,14 4.752,15 4.93,16 4.08,17 4.197,18 5.72,19 4.128,20 5.06,21 5.296,22 4.159,23 4.328,24 6.022,25 4.231,26 5.076,27 5.314,28 4.068,29 4.295,30 6.018,31 4.19,32 5.052,33 5.294,34 4,35 4.268,36 5.972,37 4.143,38 5.099,39 5.364,40 3.915,41 4.231,42 5.999,43 4.082,44 5.061,45 5.356,46 3.752,47 4.1,48 5.913,49 3.937,50 4.867,51 5.161,52 3.651,53 3.915,54 5.752,55 3.777,56 0.072,57 0.924,58 13.45,59 5.441,60 10.919,61 7.626,62 0.177,63 1.513,64 24.389,65 9.646,66 22.188,67 13.767,68 0.371,69 1.909,70 35.439,71 12.706,72 51.764,73 18.504,74 0.41,75 1.916,76 36.546,77 12.121,78 52.711,79 17.694,80 0.363,81 1.856,82 35.355,83 12.503,84 47.545,85 18.302,86 0.405,87 1.867,88 37.899,89 13.323,90 53.311,91 19.57,92 0.366,93 1.723,94 37.525,95 12.558,96 52.28,97 18.768,98 0.293,99 1.401,100 31.007,101 10.25,102 42.09,103 15.218,104 5,105 50,106 0.228,107 0.588,108 0.755,109 0.853,110 0.901,111 0.906,112 3.502,113 0.953,114 -3.24,115 -3.23,116 -3.1,121 42.6,123 5,127 2,129 1,144 8,145 4,146 1,148 2,153 1,154 1,160 1,165 1,166 1,167 1,176 14,180 4,183 1,185 6,187 15,189 1,192 5,194 1,195 1,196 2,197 7,199 1,200 11,203 1,206 3,209 1,211 7,214 9,216 1,219 1,222 1,223 1,224 6,226 1,227 9,229 1,232 1,235 1,236 2,237 6,238 1,239 6,241 2,244 4,247 1,249 8,251 2,253 1,256 3,261 6,264 2,266 2,268 1,269 4,273 1,274 3,277 4,279 2,281 1674,282 22.19,283 22.19,284 22.19,285 22.19,286 22.19,287 19.615,288 19.35,289 13.269,290 22.413,291 17.802,292 17.802,293 17.802,294 17.802,295 17.802,296 13.795,297 19.128,298 6.292,299 18.154,300 4.503,301 2.254,302 1.205,303 0.59,304 0.295,305 0.262,306 4.215,311 1,312 1,313 935,314 3.873,317 73.538,318 313.534,321 137.274,322 256.044,325 1.875,326 24.648,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 67.5,338 416,339 4.64,340 3.715,341 6.829,342 4.207,343 3.226,344 4.564,345 1.953,346 11.348,347 3.162,348 4.528,349 3.361,350 6.538,351 4.067,352 3.08,353 4.474,354 0.4,355 10.314,356 3.04,357 3.914,358 3.13,359 5.982,360 3.679,361 2.685,362 3.437,363 0.263,364 8.37,365 2.66,366 3.899,367 2.669,368 5.883,369 3.524,370 2.532,371 3.087,373 8,374 2.512,375 3.521,376 2.358,377 5.381,378 3.132,379 2.179,380 2.892,382 6.711,383 2.074,384 3.384,385 2.293,386 5.109,387 2.978,388 1.987,389 2.72,391 5.909,392 1.966,393 3.046,394 1.841,395 4.233,396 2.567,397 1.609,398 2.318,400 3.865,401 1.54,402 2.939,403 1.77,404 4.116,405 2.518,406 1.546,407 2.142,409 3.581,410 1.502,411 2.724,412 1.561,413 4.002,414 2.497,415 1.511,416 1.773,418 3.329,419 1.485,420 2.641,421 1.546,422 3.883,423 2.345,424 1.347,425 1.684,427 3.284,428 1.343,429 2.546,430 1.441,431 3.61,432 2.242,433 1.247,434 1.555,436 2.902,437 1.24,438 2.486,439 1.35,440 3.594,441 2.229,442 1.238,443 1.485,445 2.874,446 1.222,447 2.351,448 1.188,449 3.566,450 2.046,451 1.076,452 1.282,454 2.597,455 1.039,456 2.038,457 1.165,458 3.302,459 1.762,460 0.774,461 0.92,463 1.838,464 0.761,465 1.956,466 0.7,467 3.089,468 1.545,469 0.584,470 0.793,472 1.349,473 0.56,474 15.333,475 0.479,476 0.64,477 0.02,478 40.5,479 1.266,480 20,481 0.625,482 20.5,483 0.641,484 28.776,485 0.899,486 33.867,487 0.555,488 29.611,489 0.925,490 7.701,491 0.241,492 8.002,493 0.25,494 0.048,496 0.326,501 0.924,502 1.155,503 0.869,504 0.961,505 0.734,506 0.909,507 0.757,508 1.21,509 0.938,510 1.09,511 0.632,512 1.039,513 0.944,514 1.021,515 0.931,516 0.966,517 0.885,518 0.949,519 1.512,520 1.04,521 1.162,522 0.992,523 1.465,524 1.032,525 1.053,526 1.113,527 1.126,528 1.122,529 1.025,530 1.128,531 0.981,532 1.06,533 1.079,534 1.11,535 1.044,536 1.107,537 1.082,538 0.945,539 0.977,540 0.957,541 1.054,542 0.954,543 1.233,544 0.885,545 0.877,546 0.854,547 1.277,548 0.832,549 4.5,550 0.136,551 3.778,552 2.229,553 1.657,554 0.83,555 0.494,556 0.296,557 0.302,558 0.219,559 16663,560 36203,561 2.174,562 47.5,563 6,564 13,565 1,567 5,568 2,569 2,572 1.74,573 2.087,574 3.609,575 2.283,582 87.072,583 1.427,584 3.677,585 4.726,586 5.341,587 5.636,588 5.668,589 2.951,590 4.438,591 4.979,592 3.843,593 1906.02,594 8.679,595 29204.2,597 1,600 361.775,601 1.198,602 4.954,603 0.125,604 0.005,605 0.076,606 0.043,607 0.036,608 0.02,609 0.013,610 0.01,611 0.01,612 0.007,613 0.345,614 0.17,615 0.88,616 0.406,617 170.69,618 -0.094,619 0.045,620 0.037,621 0.085,622 -0.066,623 0.079,624 0.05,625 -0.098,626 -0.012,627 -0.06,628 0.022,629 -0.045,630 0.079,631 0.006,632 0.048,633 0.016,634 0.08,635 0.026,636 -0.206,637 -0.001,638 -0.159,639 -0.04,640 -0.179,641 -0.087,642 -0.021,643 -0.096,644 -0.145,645 -0.148,646 -0.025,647 -0.158,648 0.061,649 -0.096,650 -0.084,651 -0.142,652 0.023,653 -0.131,654 -0.006,655 -0.026,656 0.041,657 -0.007,658 0.021,659 0.019,660 -0.015,661 0.024,662 0.153,663 0.096,664 0.035,665 0.139,666 1.913,667 5.578,668 0.719,669 30.082,670 0.991,671 1.126,672 2.011,673 4.046,674 0.666,675 3.611,676 3.932,677 4.248,678 4.533,679 4.771,680 4.82,681 4.942,682 5.03,683 5.03,684 4.927,685 7.919,686 0.625,687 427.6,688 3.611,689 5.153,690 6.019,691 6.901,692 7.784,693 8.673,694 9.562,695 10.455,696 11.347,697 12.241,698 8.2,699 1,703 1,705 1,706 1,708 1,714 4,715 9,716 1,717 1,720 4,722 21,734 1,741 61,743 22,744 2,745 36,747 65,748 26,749 17,750 4,751 8,756 5,757 9,767 4,770 6,772 18,773 8,777 1,782 1,786 1,793 29,794 5,795 5,796 6,802 5,808 0.4,809 1,822 1,824 1,828 1,829 4,832 1,833 2,843 1,851 1,859 2,868 32,869 1,876 7,877 2,880 1,893 1.6,896 1,901 15.333,902 10.533,903 7.028,904 3.857,907 4.176,908 1.509,909 1.037,910 6.108,911 12.377,912 3.882,913 4.508,914 5.157,915 5.78,916 6.332,917 6.636,918 7.013,919 7.347,920 7.459,921 7.352,922 1,923 52,924 11.891,926 5.142,927 0.026,929 7.573,931 23.27,933 19.85,936 2.073,937 66.333,940 1,941 282.506,942 127.765,943 102.49,945 25.145,948 127.765,949 307.651,950 102.49,952 67.792,953 84.857,954 64.646,955 35.96,956 13.915,957 270.735,959 282.506,960 230.255,961 25.145,964 258.964,965 48.687,968 89.478,969 105.98,970 34.796,972 282.506,973 127.635,974 127.765,977 282.506,978 42.908,979 84.857,980 52.807,981 74.828,982 282.506,983 127.635,984 127.765,986 0.577,987 0.348,988 0.196,989 0.108,990 25,991 10,992 0.108,993 7,994 3,995 1.261,996 4.463,997 293.678,998 0.261,999 23,1000 160,1005 20.988,1006 9.313,1007 4.393,1008 4.356,1009 110.849,1010 18.281,1011 4.884,1012 3.24,1015 4.776,1017 85.704,1018 537.906,1019 47.5,1024 12.578,1028 -0.126,1031 60.44,1032 68.683,1034 0.241,1035 0.62,1036 0.797,1037 0.9,1038 0.95,1039 0.956,1040 5.113,1041 1.546,1042 5.989,1043 3.865,1044 4.615,1045 5.196,1046 2.068,1047 6.812,1048 4.577,1049 6.315,1050 1.511,1051 7.55,1052 3.581,1053 4.111,1054 5.037,1055 1.593,1056 7.743,1057 4.069,1058 7.628,1059 1.347,1060 9.218,1061 3.329,1062 6.209,1063 7.474,1064 3.021,1065 10.887,1066 6.138,1067 8.983,1068 1.247,1069 10.952,1070 3.284,1071 6.594,1072 8.226,1073 3.114,1074 12.692,1075 6.517,1076 10.378,1077 1.238,1078 12.729,1079 2.902,1080 8.114,1081 10.107,1082 4.198,1083 15.337,1084 8.014,1085 11.8,1086 1.076,1087 14.534,1088 2.874,1089 8.914,1090 11.275,1091 4.555,1092 17.487,1093 8.802,1094 13.243,1095 0.774,1096 16.359,1097 2.597,1098 10.201,1099 12.935,1100 5.456,1101 19.97,1102 10.07,1103 3.226,1104 0.584,1105 18.2,1106 1.838,1107 11.192,1108 14.293,1109 5.952,1110 22.264,1111 11.046,1112 3.08,1113 11.348,1114 20.051,1115 1.349,1116 12.388,1117 15.863,1118 6.751,1119 24.694,1120 12.223,1121 2.685,1122 10.314,1123 21.911,1124 4.564,1125 13.465,1126 17.306,1127 7.324,1128 27.05,1129 13.282,1130 2.532,1131 8.37,1132 23.778,1133 4.474,1134 14.628,1135 18.839,1136 8.066,1137 29.464,1138 14.426,1139 2.179,1140 8,1141 25.651,1142 3.437,1143 15.744,1144 20.319,1145 8.682,1146 31.85,1147 15.524,1148 1.987,1149 6.711,1150 27.528,1151 3.087,1152 16.896,1153 21.838,1154 9.392,1155 34.26,1156 16.657,1157 1.609,1158 5.909,1159 29.41,1160 2.892,1161 18.032,1162 23.334,1163 10.031,1164 36.66,1165 17.773,1166 15188,1167 22516,1168 24.849,1169 40.62,1170 54.09,1171 55.099,1172 55.107,1173 53.764,1174 53.779,1175 70.897,1176 5.232,1177 153.769,1178 52.724,1179 5.595,1180 5.715,1181 6.515,1182 5.249,1183 5.226,1184 7.564,1185 3.416,1186 18.879,1187 5.162,1188 10.345,1189 1.503,1190 1.531,1191 1.531,1192 1.493,1193 1.494,1194 1.969,1195 0.145,1196 4.271,1197 1.465,1198 4.141,1199 4.175,1200 4.096,1201 4.061,1202 7.429,1203 4.065,1204 4.097,1205 4.128,1206 4.058,1207 4.023,1208 5.019,1209 4.028,1210 3.735,1211 3.787,1212 3.641,1213 3.65,1214 4.967,1215 3.637,1216 3.724,1217 3.779,1218 3.615,1219 3.531,1220 4.933,1221 3.546,1222 3.519,1223 3.595,1224 3.38,1225 3.354,1226 4.414,1227 3.351,1228 3.372,1229 3.435,1230 3.267,1231 3.204,1232 4.303,1233 3.213,1234 3.233,1235 3.302,1236 3.098,1237 3.093,1238 4.27,1239 3.085,1240 3.132,1241 3.212,1242 3,1243 2.962,1244 3.996,1245 2.957,1246 0.129,1247 0.103,1248 0.19,1249 0.117,1250 0.09,1251 4.64,1252 0.127,1253 3.715,1254 0.054,1255 6.829,1256 0.315,1257 4.207,1258 0.088,1259 3.226,1260 4.564,1261 1.953,1262 11.348,1263 3.162,1264 2.072,1265 2.046,1266 2.158,1267 2.163,1268 1.434,1269 2.163,1270 1.941,1271 1.918,1272 2.039,1273 2.021,1274 1.231,1275 2.028,1276 1.754,1277 1.709,1278 1.949,1279 1.92,1280 1.159,1281 1.911,1282 1.705,1283 1.653,1284 1.878,1285 1.872,1286 1.063,1287 1.901,1288 1.547,1289 1.474,1290 1.78,1291 1.771,1292 1.002,1293 1.779,1294 1.349,1295 1.289,1296 1.534,1297 1.602,1298 0.754,1299 1.59,1300 1.227,1301 1.166,1302 1.463,1303 1.413,1304 0.615,1305 1.426,1306 1.131,1307 1.054,1308 1.421,1309 1.347,1310 0.561,1311 1.381,1312 4.29,1314 5.609,1315 2.398,1316 7.135,1317 4.727,1318 8.759,1319 6.823,1320 10.438,1326 6.204,1328 6.151,1329 6.568,1332 -0.58,1340 38.143,1341 87.072,1342 224.278,1343 288.265,1344 325.775,1345 343.775,1346 345.775,1347 51.138,1348 8.201,1349 95.83,1350 95.83,1351 29,1352 12.768,1353 4.524,1354 3.644,1355 46.012,1356 158,1357 134,1358 0.14,1359 231.898,1360 390.35,1361 557.591,1362 53344,1364 21.916,1365 0.685,1366 0.567,1367 21.916,1368 18.156,1369 15.704,1370 0.436,1371 0.318,1372 11.333,1373 15.338,1374 11.128,1375 9.18,1376 15.704,1377 11.431,1378 13.837,1379 0.277,1380 0.17,1381 13.837,1382 8.524,1383 12.216,1384 0.177,1385 0.092,1386 12.216,1387 6.347,1388 10.311,1389 0.112,1390 0.051,1391 10.311,1392 4.709,1393 8.61,1394 0.074,1395 0.029,1396 8.61,1397 3.416,1398 0.227,1399 96.858,1400 0.201,1401 30.357,1402 0.366,1403 172,1404 403.691,1405 182.457,1406 402.637,1407 567.22,1408 380,1409 205,1410 429.439,1411 216.097,1412 437.889,1413 645.48,1414 417,1415 6.553}
{0 CHEMBL526476,1 1.547,2 8,3 5.433,4 29.521,5 100.432,6 8.523,7 0.643,8 3.821,9 3.907,10 3.554,11 3.532,12 4.996,13 3.478,14 4.299,15 4.411,16 3.952,17 3.936,18 5.456,19 3.851,20 4.619,21 4.782,22 4.131,23 4.108,24 5.734,25 3.999,26 4.62,27 4.801,28 4.033,29 4.044,30 5.723,31 3.929,32 4.619,33 4.803,34 3.975,35 4.068,36 5.703,37 3.958,38 4.662,39 4.854,40 3.964,41 4.069,42 5.783,43 3.962,44 4.597,45 4.79,46 3.892,47 3.955,48 5.794,49 3.865,50 4.494,51 4.712,52 3.468,53 3.703,54 5.689,55 3.583,56 0.024,57 0.548,58 6.806,59 3.779,60 8.558,61 4.378,62 0.017,63 0.929,64 13.199,65 6.708,66 11.194,67 7.694,68 0.168,69 1.371,70 24.297,71 9.994,72 35.381,73 10.923,74 0.243,75 1.452,76 25.625,77 10.214,78 41.936,79 10.899,80 0.242,81 1.358,82 23.873,83 10.036,84 44.501,85 11.513,86 0.222,87 1.397,88 24.476,89 10.318,90 40.159,91 12.293,92 0.161,93 1.286,94 21.901,95 9.492,96 34.265,97 11.287,98 0.206,99 1.22,100 21.221,101 8.891,102 45.791,103 10.312,104 5,105 39,106 0.269,107 0.546,108 0.691,109 0.873,110 0.922,111 0.922,112 3.269,113 0.96,114 -5.9,115 -5.75,116 -5.36,121 51.2,123 1,129 1,144 12,145 2,146 4,159 1,176 11,180 3,185 2,187 15,192 5,197 2,200 11,206 3,211 1,214 12,219 2,222 1,224 1,227 17,232 2,239 17,244 1,249 3,251 19,261 3,264 12,274 3,277 5,281 789,282 17.154,283 17.154,284 17.154,285 17.154,286 17.154,287 14.703,288 13.606,289 10.228,290 17.463,291 13.864,292 13.864,293 13.864,294 13.864,295 13.864,296 10.31,297 12.998,298 4.895,299 14.456,300 3.811,301 2.214,302 1.381,303 0.332,304 0.049,305 0.049,306 3.97,311 1,312 1,313 438,314 2,318 187.204,319 59.953,323 102.804,325 1.04,326 24.068,329 0.75,330 0.83,331 1,332 0.6,333 0.5,334 1,335 1,336 0.81,337 53,338 200,339 4.404,340 4.631,341 6.511,342 4.049,343 3.101,344 3.985,345 3.272,346 10.243,347 2.944,348 4.215,349 3.435,350 6.224,351 3.816,352 2.846,353 3.816,354 0.986,355 9.294,356 2.754,357 4.102,358 3.177,359 6.034,360 3.686,361 2.723,362 3.708,364 8.709,365 2.608,366 3.625,367 2.894,368 5.12,369 3.199,370 2.241,371 2.979,373 6.173,374 2.139,375 3.259,376 2.612,377 5.011,378 2.938,379 2.025,380 2.418,382 5.793,383 1.834,384 2.998,385 2.107,386 4.46,387 2.529,388 1.573,389 2.174,391 4.397,392 1.499,393 2.882,394 1.716,395 4.119,396 2.408,397 1.434,398 2.045,400 3.479,401 1.38,402 2.856,403 1.631,404 3.755,405 2.381,406 1.414,407 2.003,409 3.016,410 1.353,411 2.741,412 1.443,413 3.621,414 2.286,415 1.301,416 1.835,418 2.991,419 1.276,420 2.571,421 1.4,422 3.57,423 2.111,424 1.117,425 1.585,427 2.602,428 1.108,429 2.368,430 1.139,431 3.466,432 1.876,433 0.914,434 1.285,436 2.344,437 0.87,438 1.3,439 0.662,440 2.864,441 0.982,442 0.057,443 0.067,445 0.138,446 0.051,447 1.109,448 0.587,449 2.799,450 0.736,451 -0.171,452 -0.204,454 -0.492,455 -0.152,456 1.01,457 0.368,458 2.516,459 0.628,460 -0.279,461 -0.338,463 -0.65,464 -0.245,465 0.919,466 -0.057,467 2,468 0.517,469 -0.409,470 -0.514,472 -0.914,473 -0.373,474 12.352,475 0.494,476 0.554,477 0.022,478 36,479 1.44,480 21,481 0.84,482 15,483 0.6,484 18.588,485 0.744,486 24.848,487 0.606,488 25.074,489 1.003,490 6.947,491 0.278,492 5.257,493 0.21,494 0.05,496 0.324,499 1,501 0.656,502 0.789,503 0.695,504 0.758,505 0.671,506 0.766,507 0.61,508 1.016,509 0.942,510 1.047,511 0.565,512 0.989,513 0.952,514 1.064,515 1.184,516 1.104,517 0.887,518 0.979,519 1.143,520 1.123,521 1.226,522 1.13,523 1.118,524 1.039,525 0.931,526 0.938,527 1.086,528 0.981,529 0.939,530 0.962,531 0.772,532 0.922,533 0.981,534 0.995,535 0.765,536 0.981,537 0.976,538 1.066,539 0.838,540 1.006,541 0.982,542 1.006,543 1.413,544 1.213,545 1.09,546 1.129,547 1.468,548 1.198,549 4.5,550 0.012,551 2.667,552 1.5,553 1.317,554 0.889,555 0.513,556 0.331,557 0.233,558 0.072,559 6505,560 18569,561 2.154,562 39,564 13,567 1,568 2,572 1.69,573 2.055,574 3.006,575 -0.396,582 63.421,583 1.547,584 3.143,585 3.976,586 5.026,587 5.309,588 5.309,589 2.347,590 3.814,591 4.618,592 3.131,593 939.191,594 8.037,595 11106.8,600 219.66,601 1.26,602 4.592,603 0.161,604 0.006,605 0.068,606 0.035,607 0.035,608 0.022,609 0.013,610 0.009,611 0.01,612 0.007,613 0.366,614 0.67,615 0.88,616 0.477,617 117.179,618 -0.047,619 0.045,620 0.041,621 0.097,622 -0.077,623 0.069,624 -0.003,625 -0.137,626 -0.022,627 -0.091,628 0.018,629 -0.104,630 -0.065,631 -0.077,632 -0.027,633 -0.031,634 -0.051,635 -0.03,636 -0.096,637 -0.031,638 -0.088,639 -0.071,640 -0.099,641 -0.082,642 -0.035,643 0.061,644 -0.077,645 0.017,646 -0.05,647 0.004,648 0.047,650 -0.031,651 -0.034,652 0.038,653 -0.004,654 0.008,655 -0.106,656 0.037,657 -0.086,658 0.023,659 -0.035,660 -0.117,661 -0.117,662 -0.19,663 -0.195,664 -0.107,665 -0.204,666 1.866,667 6.383,668 0.92,669 17.942,670 1.002,671 1.105,672 4.666,673 21.769,674 0.735,675 3.367,676 3.689,677 3.97,678 4.248,679 4.522,680 4.635,681 4.804,682 4.963,683 5.081,684 5.118,685 5.147,686 0.696,687 349.45,688 3.367,689 4.905,690 5.759,691 6.637,692 7.508,693 8.393,694 9.271,695 10.159,696 11.041,697 11.93,698 2.4,707 1,715 12,720 6,722 18,725 1,738 1,740 1,741 41,743 19,744 3,745 28,747 44,748 21,749 18,750 6,751 12,752 1,756 4,757 5,767 2,770 2,772 19,773 2,777 1,785 1,786 1,791 1,793 16,794 3,795 1,796 4,797 1,802 1,808 0.75,809 1,829 3,830 1,834 1,859 3,860 1,862 1,866 1,868 25,875 1,876 1,879 1,880 1,892 1,893 2.4,895 1,901 12.167,902 7.293,903 5.444,904 2.401,907 3.647,908 1.49,909 1.001,910 4.394,911 11.091,912 3.664,913 4.27,914 4.842,915 5.395,916 5.945,917 6.123,918 6.539,919 6.969,920 7.409,921 7.773,922 1,923 43,924 9.272,926 4.05,927 0.026,929 7.793,931 17.668,933 14.888,936 2.293,937 57.333,941 176.567,942 171.025,943 16.786,945 42.683,946 14.96,947 32.22,948 138.806,949 219.25,950 31.746,952 2.535,953 113.715,954 45.44,955 36.585,956 14.96,957 208.786,959 176.567,960 155.591,961 57.643,962 32.22,964 191.527,965 42.683,968 19.32,969 136.271,971 32.22,972 191.527,973 59.469,974 171.025,977 176.567,978 57.31,979 113.715,981 74.429,982 176.567,983 74.429,984 171.025,986 0.579,987 0.339,988 0.188,989 0.107,990 20,991 8,992 0.045,993 2,994 1,995 1.087,996 3.624,997 219.79,998 0.087,999 23,1000 116.096,1001 1,1005 16.075,1006 6.833,1007 3.367,1009 74.429,1010 21.875,1015 3.453,1017 42.683,1018 422.021,1019 38,1027 4.818,1028 0.849,1031 41.087,1032 45.289,1034 0.289,1035 0.587,1036 0.742,1037 0.938,1038 0.991,1039 0.991,1040 4.887,1041 1.414,1042 5.733,1043 3.479,1044 4.369,1045 4.956,1046 3.193,1047 6.535,1048 4.282,1049 6.091,1050 1.301,1051 7.281,1052 3.016,1053 3.892,1054 4.605,1056 7.391,1057 3.718,1058 7.388,1059 1.117,1060 8.93,1061 2.991,1062 5.948,1063 7.118,1064 5.448,1065 10.506,1066 5.777,1067 8.72,1068 0.914,1069 10.639,1070 2.602,1071 6.293,1072 7.566,1074 12.192,1075 6.032,1076 10.081,1077 0.057,1078 12.387,1079 2.344,1080 7.803,1081 9.533,1082 7.807,1083 14.795,1084 7.546,1085 11.463,1086 -0.171,1087 14.16,1088 0.138,1089 8.542,1090 10.383,1092 16.822,1093 8.199,1094 12.862,1095 -0.279,1096 15.953,1097 -0.492,1098 9.816,1099 12.082,1100 10.177,1101 19.236,1102 9.465,1103 3.101,1104 -0.409,1105 17.758,1106 -0.65,1107 10.744,1108 13.147,1110 21.411,1111 10.318,1112 2.846,1113 10.243,1114 19.573,1115 -0.914,1116 11.916,1117 14.701,1118 12.548,1119 23.752,1120 11.468,1121 2.723,1122 9.294,1123 21.396,1124 3.985,1125 12.935,1126 15.888,1128 25.993,1129 12.419,1130 2.241,1131 8.709,1132 23.224,1133 3.816,1134 14.065,1135 17.36,1136 14.919,1137 28.307,1138 13.516,1139 2.025,1140 6.173,1141 25.057,1142 3.708,1143 15.129,1144 18.618,1146 30.579,1147 14.518,1148 1.573,1149 5.793,1150 26.894,1151 2.979,1152 16.242,1153 20.043,1154 17.29,1155 32.885,1156 15.591,1157 1.434,1158 4.397,1159 28.733,1160 2.418,1161 17.329,1162 21.342,1164 35.174,1165 16.62,1166 6162,1167 10516,1168 19.186,1169 30.137,1170 42.183,1171 44.716,1172 42.68,1173 41.637,1174 41.493,1175 55.802,1176 8.517,1177 118.359,1178 39.634,1179 5.302,1180 6.631,1181 6.196,1182 5.179,1183 5.101,1184 6.985,1185 6.545,1186 17.082,1187 4.944,1188 8.831,1189 1.507,1190 1.597,1191 1.524,1192 1.487,1193 1.482,1194 1.993,1195 0.304,1196 4.227,1197 1.415,1198 4.027,1199 4.05,1200 4.116,1201 3.984,1202 8.201,1203 3.965,1204 3.883,1205 3.908,1206 3.84,1207 3.82,1208 6.471,1209 3.817,1210 3.836,1211 3.86,1212 3.807,1213 3.787,1214 4.865,1215 3.777,1216 3.456,1217 3.503,1218 3.458,1219 3.373,1220 4.635,1221 3.347,1222 3.082,1223 3.121,1224 3.234,1225 3.016,1226 4.614,1227 2.979,1228 2.93,1229 2.97,1230 2.844,1231 2.756,1232 4.279,1233 2.749,1234 2.899,1235 2.957,1236 2.806,1237 2.746,1238 3.835,1239 2.736,1240 2.818,1241 2.877,1242 2.779,1243 2.733,1244 3.607,1245 2.718,1246 0.157,1247 0.165,1248 0.233,1249 0.145,1250 0.111,1251 4.404,1252 0.142,1253 4.631,1254 0.117,1255 6.511,1256 0.366,1257 4.049,1258 0.105,1259 3.101,1260 3.985,1261 3.272,1262 10.243,1263 2.944,1264 1.937,1265 1.914,1266 2.034,1267 2.025,1268 1.261,1269 2.029,1270 1.911,1271 1.891,1272 1.993,1273 1.981,1274 1.106,1275 1.994,1276 1.836,1277 1.813,1278 1.944,1279 1.913,1280 1.03,1281 1.928,1282 1.475,1283 1.434,1284 1.652,1285 1.61,1286 0.867,1287 1.636,1288 1.084,1289 1.051,1290 1.212,1291 1.217,1292 0.374,1293 1.235,1294 0.883,1295 0.839,1296 1.138,1297 1.135,1298 0.198,1299 1.13,1300 0.862,1301 0.806,1302 1.128,1303 1.068,1304 0.172,1305 1.079,1306 0.858,1307 0.802,1308 1.111,1309 1.018,1310 0.157,1311 1.064,1312 4.043,1314 5.361,1316 6.876,1317 2.708,1318 8.477,1319 5.293,1320 10.12,1324 14.383,1327 9.816,1328 0.587,1331 1.631,1332 -0.078,1340 28.521,1341 63.421,1342 128.866,1343 163.03,1344 206.05,1345 217.66,1346 217.66,1347 41.982,1348 7.444,1349 32.59,1350 57.89,1351 25,1352 12.461,1353 4.322,1354 3.459,1355 35.489,1356 79,1357 68,1358 0.229,1359 176.482,1360 307.69,1361 422.375,1362 16490,1363 2.4,1364 17.225,1365 0.689,1366 0.568,1367 16.709,1368 14.21,1369 12.204,1370 0.436,1371 0.32,1372 8.098,1373 11.504,1374 7.851,1375 6.465,1376 12.201,1377 8.956,1378 10.989,1379 0.282,1380 0.183,1381 11.104,1382 7.153,1383 9.31,1384 0.179,1385 0.106,1386 9.665,1387 5.504,1388 7.953,1389 0.115,1390 0.062,1391 8.447,1392 4.246,1393 6.699,1394 0.074,1395 0.035,1396 7.466,1397 3.226,1398 0.342,1399 79.155,1400 0.228,1401 23.553,1402 0.681,1403 134,1404 400.766,1405 167.611,1406 392.923,1407 535.07,1408 368,1409 158,1410 375.581,1411 189.147,1412 392.48,1413 575.98,1414 372,1415 4.151}
{0 CHEMBL534932,1 1.294,2 16.791,3 10.231,4 104.669,5 182.507,6 6.742,7 0.449,8 4.546,9 4.678,10 4.045,11 4.16,12 5.432,13 4.092,14 5.154,15 5.345,16 4.43,17 4.617,18 5.97,19 4.513,20 5.499,21 5.746,22 4.544,23 4.798,24 6.255,25 4.664,26 5.54,27 5.801,28 4.516,29 4.783,30 6.29,31 4.641,32 5.521,33 5.773,34 4.437,35 4.791,36 6.246,37 4.638,38 5.582,39 5.85,40 4.393,41 4.813,42 6.253,43 4.625,44 5.593,45 5.879,46 4.258,47 4.763,48 6.231,49 4.545,50 5.5,51 5.798,52 4.154,53 4.637,54 6.12,55 4.406,56 0.095,57 1.234,58 20.446,59 8.817,60 11.556,61 12.531,62 0.199,63 2.156,64 39.059,65 16.046,66 24.051,67 22.983,68 0.359,69 2.895,70 58.156,71 21.879,72 41.106,73 31.71,74 0.512,75 3.018,76 60.658,77 21.878,78 49.007,79 32.128,80 0.424,81 2.975,82 58.086,83 21.59,84 40.767,85 31.649,86 0.394,87 3.008,88 62.655,89 24.858,90 41.308,91 35.776,92 0.404,93 2.942,94 66.3,95 25.357,96 43.238,97 36.259,98 0.366,99 2.593,100 62.755,101 23.608,102 40.209,103 33.482,104 5,105 69,106 0.192,107 0.488,108 0.681,109 0.82,110 0.857,111 0.864,112 3.787,113 1.053,114 -7.28,115 -7.07,116 -6.53,121 43.2,122 1,123 13,124 2,127 2,137 1,138 1,144 7,145 4,146 3,148 4,176 24,180 8,185 6,187 32,192 7,197 6,200 22,206 7,209 2,211 11,214 25,219 1,224 6,227 25,232 3,237 5,239 35,244 2,249 2,251 30,256 2,264 30,269 2,273 1,277 25,281 3836,282 29.93,283 29.93,284 29.93,285 29.93,286 29.93,287 27.07,288 30.006,289 18.051,290 30.289,291 24.339,292 24.339,293 24.339,294 24.339,295 24.339,296 19.837,297 33.216,298 8.729,299 24.987,300 5.165,301 3.178,302 1.88,303 0.94,304 0.69,305 0.645,306 4.517,308 1,313 1645,314 4.123,318 699.826,320 126.484,322 687.923,324 196.099,325 2.189,326 21.581,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.49,337 88.333,338 722,339 4.686,340 3.508,341 6.986,342 4.303,343 3.319,344 4.594,345 0.68,346 11.934,347 3.265,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 4.564,354 0.4,355 11.348,356 3.162,357 4.143,358 3.064,359 6.24,360 3.826,361 2.84,362 3.624,363 0.4,364 9.32,365 2.801,366 3.914,367 2.858,368 5.982,369 3.524,370 2.532,371 3.437,373 8.37,374 2.512,375 3.814,376 2.669,377 5.569,378 3.416,379 2.452,380 3.131,382 7.471,383 2.369,384 3.568,385 2.547,386 5.39,387 3.202,388 2.229,389 2.925,391 6.847,392 2.167,393 3.522,394 2.457,395 5.381,396 3.136,397 2.182,398 2.893,400 6.711,401 2.08,402 3.406,403 2.356,404 5.126,405 3.016,406 2.084,407 2.725,409 6.137,410 1.934,411 3.012,412 2.146,413 4.836,414 2.905,415 1.926,416 2.142,418 5.357,419 1.866,420 2.943,421 1.966,422 4.666,423 2.829,424 1.855,425 2.045,427 4.874,428 1.773,429 2.925,430 1.886,431 4.116,432 2.679,433 1.703,434 1.938,436 3.856,437 1.636,438 2.876,439 1.723,440 4.049,441 2.581,442 1.6,443 1.899,445 3.528,446 1.548,447 2.715,448 1.57,449 3.983,450 2.509,451 1.519,452 1.742,454 3.329,455 1.502,456 2.603,457 1.456,458 3.866,459 2.345,460 1.347,461 1.633,463 3.292,464 1.343,465 2.519,466 1.397,467 3.69,468 2.291,469 1.319,470 1.522,472 3.06,473 1.278,474 21.314,475 0.496,476 0.88,477 0.02,478 48.75,479 1.134,480 22,481 0.512,482 26.75,483 0.622,484 53.252,485 1.238,486 45.886,487 0.521,488 33.112,489 0.77,490 7.913,491 0.184,492 13.223,493 0.308,494 0.057,496 0.328,501 0.818,502 1.176,503 0.794,504 1,505 0.727,506 0.977,507 0.828,508 1.204,509 0.839,510 1.048,511 0.658,512 1.03,513 1.01,514 1.102,515 0.883,516 0.969,517 0.92,518 0.95,519 1.053,520 1.033,521 0.858,522 0.932,523 0.879,524 0.939,525 1.263,526 1.025,527 0.956,528 0.985,529 1.083,530 1.043,531 0.739,532 1.046,533 0.899,534 1.058,535 0.782,536 1.077,537 0.954,538 0.971,539 1.045,540 1.045,541 1.044,542 1.066,543 0.916,544 0.928,545 1.066,546 1.009,547 0.994,548 1.007,549 6.5,550 0.161,551 3.556,552 3.25,553 2.702,554 1.292,555 0.824,556 0.587,557 0.324,558 0.251,559 41435,560 79452,561 2.21,562 51.1,563 23,564 12,567 2,568 4,569 4,572 1.809,573 2.132,574 3.884,575 -0.001,582 113.875,583 1.294,584 3.281,585 4.579,586 5.519,587 5.769,588 5.814,589 3.122,590 4.915,591 5.408,592 4.202,593 3794.22,594 9.515,595 77168.5,600 568.43,601 1.155,602 5.384,603 0.133,604 0.005,605 0.052,606 0.043,607 0.038,608 0.02,609 0.014,610 0.012,611 0.008,612 0.007,613 0.331,614 0.33,615 0.5,616 0.332,617 254.573,618 0.008,619 -0.002,620 0.049,621 0.043,622 0.069,623 0.056,624 0.026,625 -0.106,626 0.023,627 -0.035,628 0.15,629 -0.018,630 0.017,631 -0.064,632 0.043,633 0.009,634 0.051,635 0.033,636 0.088,637 0.017,638 0.038,639 0.016,640 0.105,641 0.022,642 -0.181,643 0.04,644 -0.101,645 -0.035,646 -0.17,647 -0.08,648 0.019,649 -0.065,650 -0.032,651 -0.074,652 -0.014,653 -0.084,654 -0.08,655 -0.022,656 -0.073,657 -0.057,658 -0.131,659 -0.076,660 -0.012,661 -0.018,663 -0.006,664 -0.029,665 -0.01,666 0.902,667 2.271,668 0.721,669 50.52,670 0.981,671 1.121,672 6.048,673 36.584,674 0.669,675 3.912,676 4.248,677 4.575,678 4.934,679 5.257,680 5.421,681 5.595,682 5.775,683 5.852,684 5.875,685 10.6,686 0.613,687 593.32,688 3.912,689 5.468,690 6.34,691 7.241,692 8.135,693 9.048,694 9.954,695 10.874,696 11.785,697 12.708,698 4.5,703 2,708 2,714 4,715 7,716 2,720 7,722 22,734 2,740 1,741 88,743 23,744 2,745 49,747 94,748 38,749 18,750 5,751 7,756 7,757 16,758 1,763 1,767 7,768 2,770 13,772 20,773 18,774 2,777 1,784 1,786 1,793 45,794 4,795 2,796 5,797 1,802 4,808 0.286,822 2,829 7,831 1,833 4,835 1,849 1,850 1,859 2,864 1,865 1,868 43,876 15,877 2,880 2,892 1,901 20.167,902 15.876,903 9.333,904 6.25,907 5.042,908 1.522,909 1.025,910 8.8,911 14.695,912 4.127,913 4.745,914 5.378,915 6.033,916 6.668,917 7.064,918 7.483,919 7.903,920 8.242,921 8.31,922 1,923 75,924 16.027,926 6.915,927 0.026,929 7.32,931 32.551,933 28.673,936 1.82,937 78.278,941 506.157,942 155.314,943 69.593,944 39.149,948 155.314,949 545.306,950 69.593,951 8.825,952 37.16,953 75.81,954 69.593,955 33.519,957 506.157,958 39.149,959 506.157,960 224.907,962 39.149,964 459.073,965 47.084,968 55.787,969 90.05,970 118.217,972 506.157,973 69.593,974 194.463,977 506.157,978 70.679,979 84.635,980 36.022,981 72.72,982 506.157,983 69.593,984 194.463,986 0.576,987 0.337,988 0.202,989 0.12,990 35,991 14,992 0.117,993 11,994 6,995 1.355,996 5.418,997 448.262,998 0.387,999 30,1000 231.329,1005 28.961,1006 13.066,1007 6.253,1008 4.683,1009 69.593,1010 14.868,1011 10.12,1015 9.006,1017 36.022,1018 770.213,1019 61,1026 2.487,1028 1.54,1031 86.287,1032 98.656,1034 0.2,1035 0.508,1036 0.709,1037 0.854,1038 0.893,1039 0.9,1040 5.387,1041 2.084,1042 6.315,1043 6.711,1044 4.934,1045 5.434,1046 0.942,1047 7.157,1048 4.885,1049 6.581,1050 1.926,1051 7.879,1052 6.137,1053 4.443,1054 5.301,1056 8.097,1057 4.354,1058 7.896,1059 1.855,1060 9.548,1061 5.357,1062 6.538,1063 7.685,1064 0.425,1065 11.279,1066 6.451,1067 9.25,1068 1.703,1069 11.284,1070 4.874,1071 6.909,1072 8.434,1074 13.105,1075 6.795,1076 10.643,1077 1.6,1078 13.064,1079 3.856,1080 8.445,1081 10.294,1082 0.194,1083 15.802,1084 8.326,1085 12.063,1086 1.519,1087 14.876,1088 3.528,1089 9.246,1090 11.456,1092 17.997,1093 9.107,1094 13.506,1095 1.347,1096 16.711,1097 3.329,1098 10.554,1099 13.109,1100 0.09,1101 20.533,1102 10.406,1103 3.319,1104 1.319,1105 18.564,1106 3.292,1107 11.563,1108 14.466,1110 22.881,1111 11.396,1112 3.226,1113 11.934,1114 20.43,1115 3.06,1116 12.782,1117 16.036,1118 0.042,1119 25.363,1120 12.603,1121 2.84,1122 11.348,1123 22.307,1124 4.594,1125 13.887,1126 17.481,1128 27.775,1129 13.69,1130 2.532,1131 9.32,1132 24.194,1133 4.564,1134 15.076,1135 19.019,1136 0.019,1137 30.241,1138 14.864,1139 2.452,1140 8.37,1141 26.088,1142 3.624,1143 16.223,1144 20.505,1146 32.681,1147 15.993,1148 2.229,1149 7.471,1150 27.987,1151 3.437,1152 17.404,1153 22.031,1154 0.009,1155 35.142,1156 17.158,1157 2.182,1158 6.847,1159 29.892,1160 3.131,1161 18.571,1162 23.536,1164 37.595,1165 18.307,1166 36956,1167 51421,1168 34.096,1169 58.87,1170 73.075,1171 73.629,1172 74.531,1173 73.004,1174 72.809,1175 91.336,1176 2.96,1177 210.961,1178 70.818,1179 5.655,1180 5.508,1181 6.909,1182 5.345,1183 5.319,1184 7.594,1185 1.36,1186 19.51,1187 5.265,1188 13.511,1189 1.491,1190 1.503,1191 1.521,1192 1.49,1193 1.486,1194 1.864,1195 0.06,1196 4.305,1197 1.445,1198 4.157,1199 4.188,1200 4.147,1201 4.088,1202 5.043,1203 4.09,1204 4.097,1205 4.126,1206 4.066,1207 4.028,1208 4.968,1209 4.032,1210 3.874,1211 3.908,1212 3.866,1213 3.813,1214 4.697,1215 3.802,1216 3.782,1217 3.847,1218 3.633,1219 3.663,1220 4.432,1221 3.646,1222 3.732,1223 3.781,1224 3.616,1225 3.646,1226 4.413,1227 3.63,1228 3.607,1229 3.682,1230 3.579,1231 3.456,1232 4.281,1233 3.445,1234 3.471,1235 3.522,1236 3.42,1237 3.378,1238 4.228,1239 3.367,1240 3.376,1241 3.456,1242 3.227,1243 3.209,1244 4.085,1245 3.202,1246 0.096,1247 0.072,1248 0.143,1249 0.088,1250 0.068,1251 4.686,1252 0.094,1253 3.508,1254 0.014,1255 6.986,1256 0.244,1257 4.303,1258 0.067,1259 3.319,1260 4.594,1261 0.68,1262 11.934,1263 3.265,1264 2.098,1265 2.073,1266 2.188,1267 2.182,1268 1.536,1269 2.186,1270 2.072,1271 2.046,1272 2.159,1273 2.163,1274 1.438,1275 2.163,1276 1.881,1277 1.851,1278 2.044,1279 1.975,1280 1.402,1281 1.998,1282 1.793,1283 1.731,1284 1.996,1285 1.948,1286 1.224,1287 1.976,1288 1.754,1289 1.709,1290 1.949,1291 1.872,1292 1.171,1293 1.902,1294 1.612,1295 1.542,1296 1.873,1297 1.805,1298 1.137,1299 1.832,1300 1.469,1301 1.425,1302 1.692,1303 1.619,1304 0.921,1305 1.645,1306 1.369,1307 1.295,1308 1.648,1309 1.585,1310 0.914,1311 1.614,1312 4.595,1314 5.927,1316 7.47,1318 9.129,1320 10.853,1322 2.301,1323 6.382,1328 17.933,1329 7.744,1332 1.214,1340 53.976,1341 113.875,1342 288.724,1343 402.965,1344 485.675,1345 507.675,1346 511.675,1347 64.523,1348 9.653,1349 49.84,1350 49.84,1351 42,1352 13.217,1353 4.585,1354 3.7,1355 58.842,1356 288,1357 196,1358 0.097,1359 326.834,1360 566.01,1361 789.236,1362 345006,1363 1.1,1364 29.175,1365 0.678,1366 0.614,1367 29.675,1368 26.408,1369 21.136,1370 0.431,1371 0.351,1372 16.773,1373 20.569,1374 16.345,1375 13.508,1376 21.425,1377 17.192,1378 18.975,1379 0.275,1380 0.198,1381 19.384,1382 13.67,1383 16.221,1384 0.169,1385 0.106,1386 16.483,1387 10.216,1388 14.81,1389 0.107,1390 0.059,1391 15.045,1392 8.201,1393 12.872,1394 0.067,1395 0.033,1396 13.103,1397 6.295,1398 0.161,1399 131.717,1400 0.171,1401 38.997,1402 0.243,1403 236,1404 464.159,1405 259.068,1406 499.756,1407 710.18,1408 474,1409 283,1410 526.877,1411 301.418,1412 550.762,1413 818.6,1414 525,1415 9.481}
{0 CHEMBL535812,1 1.209,2 17.279,3 10.023,4 100.453,5 182.303,6 6.296,7 0.449,8 4.573,9 4.709,10 4.015,11 4.174,12 5.439,13 4.104,14 5.183,15 5.379,16 4.376,17 4.626,18 5.967,19 4.519,20 5.527,21 5.784,22 4.5,23 4.805,24 6.248,25 4.669,26 5.559,27 5.82,28 4.473,29 4.803,30 6.283,31 4.66,32 5.573,33 5.832,34 4.41,35 4.826,36 6.268,37 4.668,38 5.63,39 5.901,40 4.314,41 4.847,42 6.27,43 4.651,44 5.646,45 5.945,46 4.174,47 4.778,48 6.245,49 4.557,50 5.529,51 5.835,52 4.006,53 4.636,54 6.107,55 4.408,56 0.108,57 1.286,58 21.924,59 9.292,60 12.884,61 13.337,62 0.213,63 2.241,64 40.369,65 16.619,66 23.878,67 24.115,68 0.349,69 2.999,70 57.014,71 22.163,72 38.942,73 32.766,74 0.459,75 3.112,76 59.269,77 22.122,78 44.291,79 32.979,80 0.423,81 3.129,82 59.953,83 22.656,84 40.103,85 33.69,86 0.348,87 3.182,88 62.553,89 25.862,90 38.072,91 37.584,92 0.362,93 3.129,94 63.394,95 25.962,96 41.421,97 37.881,98 0.333,99 2.757,100 56.341,101 22.872,102 36.178,103 33.455,104 3,105 68,106 0.179,107 0.466,108 0.658,109 0.795,110 0.83,111 0.843,112 3.787,113 1.058,114 -7.01,115 -6.81,116 -6.3,121 42.9,122 1,123 14,124 2,127 2,137 1,138 1,144 8,145 4,146 2,148 4,176 27,180 8,185 6,187 32,192 8,197 6,200 24,206 6,209 2,211 11,214 26,219 1,224 7,227 30,232 3,237 4,239 35,244 3,249 3,251 33,256 2,264 29,269 2,273 1,277 28,281 3849,282 30.352,283 30.352,284 30.352,285 30.352,286 30.352,287 27.57,288 29.618,289 18.421,290 30.575,291 24.284,292 24.284,293 24.284,294 24.284,295 24.284,296 19.841,297 34.045,298 8.804,299 24.664,300 5.299,301 3.356,302 2.055,303 1.129,304 0.887,305 0.8,306 4.519,313 1692,314 4.183,318 699.546,320 125.146,322 689.173,324 195.41,325 2.234,326 18.576,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.49,337 88,338 743,339 4.678,340 3.507,341 6.984,342 4.3,343 3.315,344 4.576,345 0.68,346 11.928,347 3.265,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 4.564,354 0.4,355 11.348,356 3.162,357 4.119,358 3.034,359 6.228,360 3.818,361 2.825,362 3.558,363 0.4,364 9.277,365 2.806,366 3.914,367 2.669,368 5.982,369 3.524,370 2.532,371 3.437,373 8.37,374 2.512,375 3.797,376 2.661,377 5.6,378 3.397,379 2.403,380 3.127,382 7.562,383 2.389,384 3.539,385 2.516,386 5.42,387 3.223,388 2.25,389 2.895,391 6.951,392 2.191,393 3.522,394 2.356,395 5.381,396 3.136,397 2.182,398 2.893,400 6.711,401 2.08,402 3.05,403 2.18,404 5.049,405 2.94,406 1.957,407 2.193,409 5.832,410 1.922,411 3.022,412 2.029,413 4.878,414 2.869,415 1.88,416 2.142,418 5.367,419 1.854,420 2.942,421 1.906,422 4.116,423 2.793,424 1.804,425 2.063,427 3.855,428 1.783,429 2.909,430 1.736,431 4.019,432 2.612,433 1.627,434 1.925,436 3.518,437 1.602,438 2.836,439 1.575,440 3.979,441 2.51,442 1.52,443 1.907,445 3.329,446 1.503,447 2.706,448 1.456,449 3.861,450 2.396,451 1.404,452 1.728,454 3.279,455 1.392,456 2.592,457 1.424,458 3.697,459 2.345,460 1.347,461 1.617,463 3.101,464 1.343,465 2.493,466 1.387,467 3.645,468 2.278,469 1.305,470 1.492,472 2.902,473 1.266,474 21.1,475 0.491,476 0.736,477 0.017,478 48.5,479 1.128,480 22,481 0.512,482 26.5,483 0.616,484 52.737,485 1.226,486 46.1,487 0.507,488 32.775,489 0.762,490 7.802,491 0.181,492 13.478,493 0.313,494 0.024,496 0.308,501 0.988,502 1.185,503 0.965,504 1.061,505 0.87,506 1.021,507 0.99,508 1.213,509 1.018,510 1.111,511 0.839,512 1.074,513 1.1,514 1.075,515 0.915,516 0.956,517 0.957,518 0.93,519 1.365,520 1.058,521 1.023,522 0.98,523 1.133,524 0.981,525 1.593,526 1.007,527 1.154,528 1.012,529 1.318,530 1.049,531 0.945,532 1.066,533 1.114,534 1.121,535 1.016,536 1.126,537 0.884,538 0.973,539 1.03,540 1.029,541 0.967,542 1.037,543 0.934,544 0.921,545 1.017,546 0.987,547 0.988,548 1.003,549 5.5,550 0.157,551 3.333,552 3.063,553 2.551,554 1.243,555 0.744,556 0.462,557 0.287,558 0.205,559 41567,560 71500,561 2.225,562 52.7,563 25,564 13,567 2,568 4,569 4,572 1.809,573 2.168,574 3.92,575 -0.024,582 110,583 1.209,584 3.152,585 4.452,586 5.379,587 5.62,588 5.708,589 3.23,590 4.915,591 5.408,592 4.223,593 3813.19,594 9.515,595 77430.4,600 592.209,601 1.031,602 5.392,603 0.112,604 0.005,605 0.049,606 0.041,607 0.036,608 0.019,609 0.013,610 0.009,611 0.007,612 0.006,613 0.296,614 0.33,615 0.5,616 0.379,617 254.715,618 0.033,619 -0.003,620 0.073,621 0.045,622 0.115,623 0.058,624 0.033,625 -0.112,627 -0.057,628 0.12,629 -0.035,630 0.069,631 -0.04,632 0.094,633 0.037,634 0.116,635 0.062,636 0.044,637 -0.003,638 -0.001,639 -0.01,640 0.042,641 -0.008,642 -0.23,643 0.048,644 -0.135,645 -0.036,646 -0.202,647 -0.072,648 -0.095,649 -0.083,650 -0.133,651 -0.117,652 -0.14,653 -0.125,654 -0.053,655 -0.03,656 -0.059,657 -0.047,658 -0.076,659 -0.052,660 -0.071,661 0.015,662 -0.046,663 -0.014,664 -0.094,665 -0.026,666 0.711,667 2.181,668 0.721,669 50.686,670 0.976,671 1.122,672 5.78,673 33.414,674 0.657,675 3.912,676 4.234,677 4.575,678 4.927,679 5.252,680 5.403,681 5.595,682 5.753,683 5.858,684 5.844,685 10.641,686 0.601,687 572.91,688 3.912,689 5.46,690 6.333,691 7.229,692 8.125,693 9.035,694 9.942,695 10.859,696 11.771,697 12.691,698 4.4,703 2,708 2,714 4,715 8,716 2,720 6,722 22,734 2,741 91,743 23,744 2,745 49,747 97,748 39,749 18,750 4,751 8,756 7,757 16,763 1,767 7,768 2,770 14,772 20,773 19,774 2,777 1,784 1,786 1,793 48,794 4,795 2,796 4,802 4,808 0.286,822 2,829 7,831 1,833 4,835 1,849 1,850 1,859 2,864 1,868 43,876 16,877 2,880 2,901 19.833,902 16.317,903 9.5,904 6.644,907 5.065,908 1.524,909 1.022,910 8.866,911 14.738,912 4.127,913 4.727,914 5.371,915 6.016,916 6.643,917 7.018,918 7.447,919 7.847,920 8.206,921 8.249,922 0.909,923 75,924 16.045,926 6.884,927 0.026,929 7.267,931 32.807,933 28.858,936 1.767,937 76,941 541.471,942 163.824,943 69.593,948 163.824,949 541.471,950 69.593,951 8.825,952 39.695,953 85.286,954 69.593,955 30.018,957 541.471,959 541.471,960 233.417,964 494.386,965 47.084,968 58.322,969 96.026,970 79.069,972 541.471,973 69.593,974 163.824,977 541.471,978 69.713,979 94.111,980 36.022,981 33.571,982 541.471,983 69.593,984 163.824,986 0.569,987 0.341,988 0.204,989 0.121,990 34,991 13,992 0.124,993 12,994 6,995 1.355,996 5.441,997 446.804,998 0.387,999 30,1000 231.329,1005 28.691,1006 13.288,1007 6.15,1008 4.898,1009 69.593,1010 17.439,1011 10.175,1015 8.437,1017 36.022,1018 774.887,1019 61,1026 2.563,1028 1.648,1031 88.846,1032 102.128,1034 0.186,1035 0.484,1036 0.684,1037 0.826,1038 0.864,1039 0.877,1040 5.378,1041 1.957,1042 6.297,1043 6.711,1044 4.92,1045 5.416,1046 0.942,1047 7.136,1048 4.888,1049 6.56,1050 1.88,1051 7.857,1052 5.832,1053 4.369,1054 5.231,1056 8.08,1057 4.323,1058 7.869,1059 1.804,1060 9.526,1061 5.367,1062 6.518,1063 7.658,1064 0.425,1065 11.267,1066 6.455,1067 9.219,1068 1.627,1069 11.264,1070 3.855,1071 6.868,1072 8.39,1074 13.102,1075 6.789,1076 10.611,1077 1.52,1078 13.047,1079 3.518,1080 8.425,1081 10.266,1082 0.194,1083 15.796,1084 8.331,1085 12.032,1086 1.404,1087 14.862,1088 3.329,1089 9.22,1090 11.423,1092 17.994,1093 9.109,1094 13.476,1095 1.347,1096 16.7,1097 3.279,1098 10.536,1099 13.082,1100 0.09,1101 20.528,1102 10.41,1103 3.315,1104 1.305,1105 18.555,1106 3.101,1107 11.544,1108 14.436,1110 22.878,1111 11.4,1112 3.226,1113 11.928,1114 20.423,1115 2.902,1116 12.766,1117 16.008,1118 0.042,1119 25.359,1120 12.607,1121 2.825,1122 11.348,1123 22.302,1124 4.576,1125 13.871,1126 17.452,1128 27.771,1129 13.693,1130 2.532,1131 9.277,1132 24.189,1133 4.564,1134 15.061,1135 18.99,1136 0.019,1137 30.236,1138 14.867,1139 2.403,1140 8.37,1141 26.084,1142 3.558,1143 16.208,1144 20.475,1146 32.676,1147 15.996,1148 2.25,1149 7.562,1150 27.984,1151 3.437,1152 17.389,1153 22,1154 0.009,1155 35.137,1156 17.16,1157 2.182,1158 6.951,1159 29.889,1160 3.127,1161 18.556,1162 23.503,1164 37.589,1165 18.309,1166 37076,1167 48805,1168 34.383,1169 59.774,1170 72.415,1171 73.057,1172 74.006,1173 72.363,1174 72.336,1175 90.657,1176 2.96,1177 207.549,1178 71.172,1179 5.646,1180 5.507,1181 6.907,1182 5.342,1183 5.315,1184 7.576,1185 1.36,1186 19.498,1187 5.265,1188 9.715,1189 1.478,1190 1.491,1191 1.51,1192 1.477,1193 1.476,1194 1.85,1195 0.06,1196 4.236,1197 1.452,1198 4.158,1199 4.19,1200 4.112,1201 4.086,1202 4.993,1203 4.088,1204 4.097,1205 4.126,1206 4.059,1207 4.027,1208 4.955,1209 4.031,1210 3.879,1211 3.916,1212 3.793,1213 3.814,1214 4.503,1215 3.805,1216 3.782,1217 3.847,1218 3.627,1219 3.662,1220 4.413,1221 3.646,1222 3.732,1223 3.781,1224 3.609,1225 3.646,1226 4.303,1227 3.63,1228 3.607,1229 3.683,1230 3.456,1231 3.46,1232 4.276,1233 3.449,1234 3.528,1235 3.59,1236 3.394,1237 3.416,1238 4.227,1239 3.402,1240 3.391,1241 3.474,1242 3.238,1243 3.222,1244 4.054,1245 3.216,1246 0.095,1247 0.072,1248 0.143,1249 0.088,1250 0.068,1251 4.678,1252 0.093,1253 3.507,1254 0.014,1255 6.984,1256 0.243,1257 4.3,1258 0.067,1259 3.315,1260 4.576,1261 0.68,1262 11.928,1263 3.265,1264 2.1,1265 2.074,1266 2.195,1267 2.186,1268 1.543,1269 2.19,1270 2.072,1271 2.046,1272 2.159,1273 2.163,1274 1.438,1275 2.163,1276 1.891,1277 1.858,1278 2.047,1279 1.987,1280 1.402,1281 2.008,1282 1.793,1283 1.731,1284 2.023,1285 1.951,1286 1.228,1287 1.982,1288 1.754,1289 1.709,1290 1.949,1291 1.872,1292 1.179,1293 1.902,1294 1.613,1295 1.544,1296 1.876,1297 1.807,1298 1.138,1299 1.834,1300 1.547,1301 1.489,1302 1.811,1303 1.707,1304 1.037,1305 1.746,1306 1.382,1307 1.309,1308 1.653,1309 1.606,1310 0.917,1311 1.627,1312 4.595,1314 5.916,1316 7.456,1318 9.113,1320 10.837,1322 2.317,1328 19.433,1329 7.794,1332 1.296,1340 54.675,1341 110,1342 286.791,1343 405.176,1344 489.454,1345 511.454,1346 519.454,1347 62.476,1348 9.673,1349 49.84,1350 49.84,1351 42,1352 13.201,1353 4.585,1354 3.7,1355 58.844,1356 289,1357 199,1358 0.096,1359 328.094,1360 568.1,1361 792.309,1362 355034,1364 29.012,1365 0.675,1366 0.606,1367 29.012,1368 26.059,1369 21.28,1370 0.434,1371 0.353,1372 17.204,1373 21.022,1374 16.818,1375 13.927,1376 21.28,1377 17.275,1378 18.511,1379 0.272,1380 0.195,1381 18.511,1382 13.255,1383 16.325,1384 0.17,1385 0.107,1386 16.325,1387 10.271,1388 14.693,1389 0.107,1390 0.059,1391 14.693,1392 8.129,1393 12.974,1394 0.068,1395 0.034,1396 12.974,1397 6.382,1398 0.16,1399 129.407,1400 0.171,1401 39.021,1402 0.242,1403 234,1404 433.956,1405 241.549,1406 441.288,1407 645.47,1408 422,1409 281,1410 506.014,1411 289.659,1412 519.169,1413 773.97,1414 497,1415 9.086}
{0 CHEMBL536047,1 1.399,2 7.3,3 4.044,4 16.357,5 83.838,6 7.698,7 0.478,8 3.715,9 3.834,10 3.329,11 3.378,12 4.711,13 3.322,14 4.289,15 4.451,16 3.774,17 3.851,18 5.208,19 3.77,20 4.621,21 4.815,22 3.881,23 4.047,24 5.524,25 3.933,26 4.713,27 4.962,28 3.793,29 3.977,30 5.599,31 3.84,32 4.597,33 4.853,34 3.527,35 3.834,36 5.459,37 3.673,38 4.483,39 4.779,40 3.411,41 3.651,42 5.262,43 3.455,44 4.142,45 4.395,46 3.005,47 3.369,48 4.997,49 3.152,50 3.826,51 4.129,52 2.773,53 2.966,54 4.57,55 2.706,56 0.035,57 0.509,58 7.43,59 3.406,60 6.55,61 4.693,62 0.052,63 0.878,64 14.641,65 6.551,66 10.061,67 9.066,68 0.124,69 1.208,70 23.259,71 9.077,72 19.867,73 12.543,74 0.234,75 1.319,76 27.096,77 9.852,78 31.119,79 13.882,80 0.204,81 1.19,82 23.247,83 8.276,84 28.549,85 11.682,86 0.166,87 0.957,88 23.659,89 8.76,90 26.07,91 12.353,92 0.156,93 0.668,94 19.424,95 5.989,96 23.156,97 8.086,98 0.09,99 0.435,100 15.378,101 4.965,102 13.163,103 6.728,104 10,105 35,106 0.253,107 0.663,108 0.826,109 0.878,110 0.878,111 0.878,112 3.061,113 0.984,114 -4.87,115 -4.78,116 -4.49,121 45.9,122 1,123 3,124 2,137 1,138 1,144 3,145 2,146 2,148 2,165 1,166 1,167 1,176 11,180 4,185 2,187 19,189 2,192 3,197 2,200 13,203 2,206 5,208 1,209 1,211 5,214 13,216 5,219 1,224 2,227 8,229 2,232 1,237 3,239 12,241 3,251 7,264 6,277 1,281 364,282 13.411,283 13.411,284 13.411,285 13.411,286 13.411,287 11.787,288 13.481,289 7.587,290 13.613,291 11.383,292 11.383,293 11.383,294 11.383,295 11.383,296 8.897,297 11.786,298 3.662,299 11.773,300 3.81,301 1.535,302 0.635,303 0.345,304 0.345,305 0.345,306 3.759,308 1,310 1,311 1,312 1,313 327,314 2.121,318 122.588,320 41.242,322 99.424,324 60.137,325 1.23,326 13.868,328 1,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 41.333,338 146,339 4.673,340 3.492,341 6.939,342 4.287,343 3.302,344 4.585,345 0.68,346 11.686,347 3.253,348 4.143,349 3.058,350 6.232,351 3.822,352 2.836,353 3.62,355 9.285,356 2.796,357 3.805,358 2.843,359 5.533,360 3.403,361 2.433,362 3.122,364 7.367,365 2.362,366 3.543,367 2.523,368 5.363,369 3.178,370 2.201,371 2.908,373 6.745,374 2.151,375 3.398,376 2.456,377 5.096,378 3,379 2.081,380 2.716,382 6.046,383 1.86,384 3.009,385 2.065,386 4.801,387 2.811,388 1.837,389 2.045,391 5.249,392 1.772,393 2.87,394 1.798,395 4.657,396 2.6,397 1.626,398 1.902,400 4.78,401 1.548,402 2.49,403 1.208,404 3.953,405 2.074,406 1.096,407 1.485,409 2.875,410 1.058,411 1.431,412 0.552,413 3.306,414 1.16,415 0.182,416 0.21,418 0.534,419 0.173,420 1.339,421 0.282,422 3,423 0.95,429 1.03,430 0.119,431 2.668,432 0.663,433 -0.245,434 -0.293,436 -0.613,437 -0.18,438 0.687,439 0.009,440 2.491,441 0.567,442 -0.399,443 -0.418,445 -1.016,446 -0.385,447 0.623,448 -0.524,449 2.343,450 0.251,451 -0.688,452 -0.856,454 -1.966,455 -0.619,456 0.352,457 -0.605,458 2.194,459 0.082,460 -0.912,461 -1.011,463 -2.74,464 -0.902,465 0.156,466 -0.918,467 1.916,468 -0.159,469 -1.123,470 -1.48,472 -3.102,473 -0.959,474 10.014,475 0.501,476 0.644,477 0.032,478 24,479 1.2,480 11.5,481 0.575,482 12.5,483 0.625,484 18.457,485 0.923,486 20.586,487 0.556,488 13.956,489 0.698,490 4.099,491 0.205,492 5.515,493 0.276,494 0.161,496 0.449,501 0.755,502 0.972,503 0.634,504 0.802,505 0.923,506 0.819,507 0.563,508 1.074,509 0.624,510 0.889,511 0.475,512 0.875,513 0.901,514 1.216,515 0.922,516 1.099,517 0.865,518 1.085,519 0.751,520 1.1,521 0.755,522 0.979,523 0.794,524 0.977,525 1.192,526 1.01,527 0.866,528 0.954,529 1.38,530 1.063,531 0.45,532 0.866,533 0.631,534 0.832,535 0.487,536 0.833,537 1.626,538 0.922,539 1.581,540 1.201,541 1.694,542 1.224,543 1.056,544 0.752,545 1.232,546 0.918,547 0.893,548 0.883,549 5,551 2,552 2.188,553 1.622,554 0.819,555 0.322,556 0.252,557 0.07,558 0.051,559 3521,560 8183,561 2.163,562 45.9,563 9,564 4,567 2,568 2,572 1.623,573 2,574 2.862,575 0.262,577 1,582 51.776,583 1.399,584 3.674,585 4.574,586 4.865,587 4.865,588 4.865,589 2.461,590 3.546,591 4.297,592 2.934,593 557.498,594 7.366,595 5317.92,597 1,598 1,599 1,600 192.75,601 1.458,602 4.245,603 0.217,605 0.057,606 0.059,607 0.051,608 0.036,609 0.017,610 0.023,611 0.01,612 0.026,613 0.495,614 0.83,615 1,616 0.627,617 85.244,618 -0.069,619 0.128,620 0.018,621 0.103,622 -0.11,623 0.09,624 0.058,625 -0.049,626 0.085,627 0.048,628 0.144,629 0.071,630 -0.058,631 -0.198,632 -0.099,633 -0.163,634 -0.053,635 -0.144,636 0.141,637 -0.089,638 0.039,639 -0.052,640 0.151,641 -0.027,642 -0.214,643 0.046,644 -0.114,645 -0.055,646 -0.259,647 -0.139,648 0.256,649 0.029,650 0.249,651 0.164,652 0.297,653 0.188,654 -0.311,655 0.017,656 -0.306,657 -0.187,658 -0.42,659 -0.24,660 0.085,661 0.048,662 0.179,663 0.183,664 0.088,665 0.191,666 0.948,667 2.468,668 0.85,669 10.84,670 0.989,671 1.115,672 3.644,673 13.278,674 0.702,675 3.178,676 3.584,677 3.912,678 4.29,679 4.605,680 4.804,681 4.942,682 5.153,683 5.182,684 5.257,685 4.302,686 0.651,687 284.81,688 3.178,689 4.762,690 5.652,691 6.581,692 7.487,693 8.421,694 9.334,695 10.27,696 11.185,697 12.123,698 5.4,702 1,708 1,714 2,715 3,716 1,720 4,722 11,733 1,740 1,741 37,743 12,744 1,745 23,747 40,748 17,749 9,750 3,751 3,756 4,757 10,758 1,763 1,767 3,768 2,770 3,772 11,773 6,774 2,777 1,784 1,786 1,790 1,793 17,794 2,795 2,796 3,797 1,802 2,808 0.25,822 1,829 4,831 1,833 2,835 1,849 1,850 1,859 1,864 1,865 1,868 20,869 1,876 3,880 2,892 1,901 10,902 6.926,903 4.139,904 2.358,907 2.745,908 1.368,909 1.043,910 2.664,911 10.201,912 3.418,913 4.103,914 4.727,915 5.382,916 6.012,917 6.445,918 6.857,919 7.325,920 7.675,921 7.84,922 1,923 37,924 7.416,926 3.298,927 0.026,929 7.497,931 14.71,933 13.227,936 1.997,937 39.944,938 0.002,941 176.567,942 74.436,943 49.683,944 39.149,948 74.436,949 215.715,950 49.683,951 8.825,952 7.604,953 70.802,954 16.786,955 20.102,957 176.567,958 39.149,959 176.567,960 124.119,962 39.149,964 176.567,968 21.33,969 76.527,970 65.41,972 176.567,973 49.683,974 113.585,977 176.567,978 27.706,979 46.73,981 88.831,982 176.567,983 49.683,984 113.585,986 0.604,987 0.355,988 0.208,989 0.12,990 21,991 9,994 4,995 1.412,996 3.147,997 169.942,998 0.471,999 16,1000 86.439,1005 12.371,1006 4.308,1007 1.904,1008 1.966,1009 49.683,1010 5.808,1011 4.851,1015 4.113,1017 32.897,1018 339.834,1019 29.5,1026 2.416,1028 1.493,1031 36.596,1032 41.262,1034 0.269,1035 0.705,1036 0.878,1037 0.934,1038 0.934,1039 0.934,1040 4.707,1041 1.096,1042 5.68,1043 4.78,1044 4.263,1045 4.787,1046 0.655,1047 6.564,1048 4.205,1049 5.951,1050 0.182,1051 7.28,1052 2.875,1053 4.007,1054 4.783,1056 7.545,1057 3.904,1058 7.294,1060 8.974,1061 0.534,1062 5.927,1063 7.07,1064 0.356,1065 10.703,1066 5.837,1067 8.666,1068 -0.245,1069 10.721,1071 6.415,1072 7.846,1074 12.497,1075 6.296,1076 10.068,1077 -0.399,1078 12.504,1079 -0.613,1080 7.869,1081 9.67,1082 0.18,1083 15.199,1084 7.756,1085 11.491,1086 -0.688,1087 14.314,1088 -1.016,1089 8.721,1090 10.83,1092 17.365,1093 8.589,1094 12.932,1095 -0.912,1096 16.144,1097 -1.966,1098 9.994,1099 12.468,1100 0.087,1101 19.904,1102 9.86,1103 3.302,1104 -1.123,1105 17.991,1106 -2.74,1107 11.024,1108 13.819,1110 22.234,1111 10.873,1112 2.836,1113 11.686,1114 19.851,1115 -3.102,1116 12.229,1117 15.382,1118 0.041,1119 24.714,1120 12.071,1121 2.433,1122 9.285,1123 21.724,1124 4.585,1125 13.341,1126 16.824,1128 27.115,1129 13.169,1130 2.201,1131 7.367,1132 23.606,1133 3.62,1134 14.525,1135 18.358,1136 0.019,1137 29.575,1138 14.342,1139 2.081,1140 6.745,1141 25.497,1142 3.122,1143 15.676,1144 19.842,1146 32.006,1147 15.478,1148 1.837,1149 6.046,1150 27.394,1151 2.908,1152 16.856,1153 21.367,1154 0.009,1155 34.462,1156 16.645,1157 1.626,1158 5.249,1159 29.297,1160 2.716,1161 18.025,1162 22.87,1164 36.906,1165 17.799,1166 3338,1167 5194,1168 15.433,1169 25.961,1170 35.747,1171 35.891,1172 36.981,1173 35.372,1174 35.189,1175 45.184,1176 1.36,1177 109.137,1178 33.947,1179 5.626,1180 5.492,1181 6.224,1182 5.33,1183 5.302,1184 7.585,1185 1.36,1186 19.262,1187 5.253,1188 9.098,1189 1.554,1190 1.56,1191 1.608,1192 1.538,1193 1.53,1194 1.965,1195 0.059,1196 4.745,1197 1.476,1198 4.135,1199 4.163,1200 4.135,1201 4.07,1202 5.158,1203 4.071,1204 3.873,1205 3.907,1206 3.865,1207 3.813,1208 4.898,1209 3.802,1210 3.472,1211 3.517,1212 3.579,1213 3.389,1214 4.614,1215 3.381,1216 3.273,1217 3.345,1218 3.202,1219 3.14,1220 4.42,1221 3.127,1222 3.138,1223 3.217,1224 3.056,1225 2.989,1226 4.072,1227 2.973,1228 2.989,1229 3.074,1230 2.903,1231 2.836,1232 3.829,1233 2.829,1234 2.745,1235 2.844,1236 2.788,1237 2.603,1238 3.563,1239 2.583,1240 2.68,1241 2.784,1242 2.551,1243 2.448,1244 3.448,1245 2.439,1246 0.203,1247 0.152,1248 0.302,1249 0.186,1250 0.144,1251 4.673,1252 0.199,1253 3.492,1254 0.03,1255 6.939,1256 0.508,1257 4.287,1258 0.141,1259 3.302,1260 4.585,1261 0.68,1262 11.686,1263 3.253,1264 2.095,1265 2.071,1266 2.186,1267 2.179,1268 1.532,1269 2.183,1270 1.88,1271 1.85,1272 1.997,1273 1.967,1274 1.171,1275 1.985,1276 1.47,1277 1.428,1278 1.692,1279 1.607,1280 0.918,1281 1.639,1282 1.269,1283 1.21,1284 1.496,1285 1.464,1286 0.771,1287 1.478,1288 1.15,1289 1.076,1290 1.425,1291 1.357,1292 0.585,1293 1.396,1294 0.968,1295 0.904,1296 1.223,1297 1.209,1298 0.376,1299 1.22,1300 0.753,1301 0.676,1302 1.154,1303 1.003,1304 0.222,1305 1.063,1306 0.712,1307 0.598,1308 1.084,1309 0.99,1310 0.166,1311 1.031,1312 3.85,1314 5.231,1316 6.821,1318 8.518,1320 10.271,1322 2.231,1323 6.079,1326 6.468,1328 3.347,1332 1.172,1340 24.085,1341 51.776,1342 135.941,1343 169.24,1344 179.995,1345 179.995,1346 179.995,1347 25.657,1348 7.456,1349 38.91,1350 38.91,1351 24,1352 12.624,1353 3.7,1354 2.907,1355 26.016,1356 54,1357 50,1358 0.261,1359 148.624,1360 252.79,1361 354.402,1362 15563,1363 2.7,1364 13.853,1365 0.693,1366 0.612,1367 14.353,1368 12.244,1369 9.614,1370 0.418,1371 0.328,1372 7.169,1373 9.211,1374 6.909,1375 5.679,1376 9.903,1377 7.542,1378 9.448,1379 0.27,1380 0.189,1381 9.857,1382 6.598,1383 7.993,1384 0.163,1385 0.1,1386 8.255,1387 4.881,1388 7.551,1389 0.105,1390 0.057,1391 7.786,1392 4.095,1393 6.224,1394 0.063,1395 0.031,1396 6.456,1397 3.05,1398 0.384,1399 61.558,1400 0.255,1401 19.105,1402 0.797,1403 116,1404 245.161,1405 134.6,1406 280.14,1407 387.23,1408 262,1409 142,1410 274.525,1411 155.256,1412 294.045,1413 435.39,1414 278,1415 9.135}
{0 CHEMBL53623,1 1.476,2 9.76,3 3.877,4 15.033,5 97.921,6 7.03,7 0.429,8 3.972,9 4.097,10 3.5,11 3.503,12 5.006,13 3.478,14 4.539,15 4.719,16 3.921,17 3.942,18 5.563,19 3.897,20 4.801,21 4.993,22 3.982,23 4.12,24 5.743,25 4.042,26 4.951,27 5.198,28 3.849,29 4.107,30 5.869,31 3.989,32 4.881,33 5.137,34 3.692,35 3.924,36 5.86,37 3.794,38 4.702,39 4.978,40 3.446,41 3.619,42 5.655,43 3.519,44 4.207,45 4.39,46 3.417,47 3.465,48 5.307,49 3.417,50 4.276,51 4.469,52 3.367,53 3.531,54 5.433,55 3.451,56 0.032,57 0.707,58 10.657,59 4.41,60 8.049,61 6.018,62 0.355,63 1.175,64 20.301,65 7.522,66 32.221,67 10.624,68 0.178,69 1.473,70 26.543,71 9.941,72 26.251,73 13.975,74 0.297,75 1.598,76 32.486,77 10.921,78 39.788,79 15.963,80 0.304,81 1.344,82 31.086,83 10.854,84 50.847,85 15.315,86 0.517,87 1.008,88 27.782,89 8.419,90 59.249,91 11.522,92 0.263,93 0.744,94 15.28,95 5.339,96 25.358,97 7.047,98 0.274,99 0.832,100 16.218,101 5.49,102 39.293,103 7.548,104 17,105 42,106 0.252,107 0.603,108 0.804,109 0.874,110 0.888,111 0.888,112 3.267,113 0.926,114 -4.31,115 -4.24,116 -4.01,121 41.7,122 2,123 1,125 1,126 1,127 1,130 1,144 7,145 2,146 3,161 1,176 10,179 1,180 5,183 3,185 4,187 11,192 6,197 5,200 9,206 7,211 5,214 4,218 1,219 10,224 3,227 2,232 3,235 1,237 1,239 4,243 1,244 2,247 1,249 2,251 10,259 1,260 1,264 10,269 2,277 9,281 831,282 16.687,283 16.687,284 16.687,285 16.687,286 16.687,287 15.067,288 24.941,289 9.523,290 17.007,291 13.783,292 13.783,293 13.783,294 13.783,295 13.783,296 11.322,297 35.263,298 4.474,299 14.299,300 4.109,301 2.054,302 0.873,303 0.464,304 0.381,305 0.381,306 3.96,310 1,311 1,312 1,313 540,314 3.391,317 96.332,318 133.336,320 77.564,321 81.769,324 114.395,325 1.488,326 18.734,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 53.5,338 244,339 4.809,340 3.935,341 7.956,342 4.685,343 3.705,344 4.198,345 2.186,346 15.054,347 3.637,348 4.189,349 3.679,350 6.181,351 3.813,352 2.841,353 3.788,354 0.886,355 8.787,356 2.765,357 3.941,358 2.909,359 6.055,360 3.594,361 2.632,362 3.284,363 0.4,364 8.694,365 2.53,366 3.644,367 2.746,368 5.941,369 3.373,370 2.436,371 2.849,372 0.366,373 7.787,374 2.267,375 3.416,376 2.672,377 5.406,378 3.109,379 2.153,380 2.586,382 6.797,383 2.041,384 3.115,385 2.249,386 4.785,387 2.808,388 1.845,389 2.219,391 5.279,392 1.765,393 2.874,394 1.669,395 4.202,396 2.414,397 1.414,398 2.037,400 3.565,401 1.414,402 2.804,403 1.472,404 4.081,405 2.368,406 1.38,407 1.912,409 3.026,410 1.357,411 2.519,412 1.43,413 3.703,414 2.18,415 1.213,416 1.525,418 2.959,419 1.171,420 2.201,421 1.119,422 3.649,423 2.039,424 1.061,425 1.189,427 2.634,428 1.035,429 1.691,430 0.916,431 3.595,432 1.571,433 0.626,434 0.654,436 1.636,437 0.589,438 1.412,439 0.71,440 3.031,441 1.124,442 0.173,443 0.203,445 0.423,446 0.163,447 1.201,448 0.475,449 2.97,450 0.829,451 -0.131,452 -0.162,454 -0.32,455 -0.124,456 0.787,457 -0.041,458 2.512,459 0.411,460 -0.572,461 -0.627,463 -1.384,464 -0.551,465 0.696,466 -0.278,467 2.385,468 0.36,469 -0.616,470 -0.71,472 -1.555,473 -0.598,474 11.867,475 0.475,476 0.771,477 0.031,478 31.5,479 1.26,480 15,481 0.6,482 16.5,483 0.66,484 21.62,485 0.865,486 27.133,487 0.565,488 22.315,489 0.893,490 6.03,491 0.241,492 5.957,493 0.238,494 0.154,495 0.042,496 0.329,501 0.835,502 1.337,503 0.832,504 1.104,505 0.647,506 0.981,507 0.623,508 0.948,509 0.789,510 0.859,511 0.412,512 0.838,513 1.008,514 1.318,515 1.05,516 1.191,517 0.721,518 1.135,519 1.048,520 1.055,521 1.122,522 1.09,523 0.756,524 1.094,525 1.134,526 1.084,527 1.001,528 1.155,529 1.281,530 1.08,531 2.038,532 0.588,533 0.938,534 0.585,535 1.969,536 0.632,537 1.714,538 0.952,539 1.043,540 0.906,541 1.721,542 0.91,543 1.523,544 1.016,545 1.292,546 1.056,547 2.533,548 1.131,549 6,550 0.163,551 4,552 3.174,553 1.383,554 0.733,555 0.516,556 0.291,557 0.237,558 0.242,559 7345,560 16199,561 2.095,562 47.9,563 6,564 12,565 1,567 2,569 2,572 1.678,573 1.935,574 3.234,575 0.233,577 1,582 70.843,583 1.476,584 3.531,585 4.712,586 5.121,587 5.204,588 5.204,589 2.628,590 4.404,591 4.62,592 3.426,593 1027.9,594 7.974,595 12383,597 1,599 1,600 268.078,601 1.643,602 4.557,603 0.214,604 0.008,605 0.095,606 0.074,607 0.04,608 0.026,609 0.022,610 0.012,611 0.011,612 0.013,613 0.515,614 0.5,615 1,616 0.609,617 120.136,618 -0.033,619 -0.13,620 0.063,621 -0.032,622 -0.064,623 0.021,624 0.311,625 0.192,626 0.155,627 0.153,628 0.238,629 0.137,630 -0.087,631 -0.242,632 -0.108,633 -0.176,634 -0.015,635 -0.152,636 -0.111,637 -0.03,638 -0.146,639 -0.138,640 0.018,641 -0.135,642 0.045,643 -0.183,644 0.008,645 -0.185,646 0.032,647 -0.106,648 -0.165,649 0.224,650 0.17,651 0.335,652 -0.161,653 0.298,654 -0.068,655 0.057,656 -0.018,657 0.085,658 -0.09,659 0.035,660 -0.147,661 0.061,662 -0.296,663 -0.09,664 -0.268,665 -0.198,666 2.133,667 5.25,668 0.72,669 19.469,670 0.996,671 1.126,672 3.079,673 9.478,674 0.657,675 3.367,676 3.761,677 4.094,678 4.407,679 4.595,680 4.644,681 4.804,682 4.868,683 4.883,684 4.956,685 6,686 0.62,687 337.46,688 3.367,689 4.949,690 5.838,691 6.76,692 7.671,693 8.601,694 9.523,695 10.458,696 11.389,697 12.328,698 6.3,700 1,704 1,705 1,715 7,720 5,722 12,736 1,737 1,741 48,743 13,744 2,745 28,747 51,748 20,749 12,750 5,751 7,756 4,757 7,763 2,764 1,766 1,767 1,770 1,772 13,773 7,777 1,782 1,786 1,790 1,793 23,794 5,795 2,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,853 1,859 2,864 3,868 25,876 2,877 2,878 1,880 1,881 1,882 1,893 4.2,896 1,898 1,901 12.917,902 9.45,903 5.319,904 2.865,907 2.193,908 1.291,909 0.977,910 3.971,911 9.73,912 3.584,913 4.174,914 4.71,915 5.254,916 5.733,917 5.86,918 6.18,919 6.433,920 6.543,921 6.745,922 1,923 43,924 9.267,926 4.009,927 0.026,929 7.623,931 17.997,933 15.356,936 2.123,937 53.083,940 1,941 247.193,942 120.911,943 39.146,945 36.145,948 120.911,949 283.338,950 39.146,951 26.047,952 22.651,953 84.344,954 25.145,955 31.252,956 18.534,957 235.422,959 247.193,960 160.057,961 36.145,964 223.651,965 59.687,968 58.312,969 101.745,972 247.193,973 75.291,974 120.911,977 247.193,978 28.531,979 95.505,980 36.022,981 36.145,982 247.193,983 75.291,984 120.911,986 0.599,987 0.365,988 0.201,989 0.103,990 23,991 10,992 0.059,993 3,994 2,995 1.222,996 3.666,997 216.826,998 0.222,999 18,1000 114.096,1005 16.431,1006 6.042,1007 2.697,1009 75.291,1010 13.556,1015 4.785,1017 36.022,1018 443.395,1019 35,1024 12.25,1028 -0.466,1031 47.796,1032 54.066,1034 0.264,1035 0.632,1036 0.844,1037 0.917,1038 0.932,1039 0.932,1040 4.875,1041 1.38,1042 5.883,1043 3.565,1044 4.443,1045 4.86,1046 2.41,1047 6.819,1048 4.373,1049 6.099,1050 1.213,1051 7.529,1052 3.026,1053 4.29,1054 4.758,1055 1.847,1056 8.189,1057 4.205,1058 7.44,1059 1.061,1060 9.295,1061 2.959,1062 6.192,1063 7.003,1064 3.516,1065 11.345,1066 6.069,1067 8.818,1068 0.626,1069 11.139,1070 2.634,1071 6.889,1072 7.671,1073 3.601,1074 13.619,1075 6.759,1076 10.234,1077 0.173,1078 13.037,1079 1.636,1080 8.339,1081 9.456,1082 4.909,1083 16.427,1084 8.184,1085 11.675,1086 -0.131,1087 14.975,1088 0.423,1089 9.398,1090 10.48,1091 5.291,1092 19.009,1093 9.238,1094 13.139,1095 -0.572,1096 16.944,1097 -0.32,1098 10.72,1099 12.075,1100 6.388,1101 21.741,1102 10.542,1103 3.705,1104 -0.616,1105 18.936,1106 -1.384,1107 11.927,1108 13.28,1109 6.93,1110 24.415,1111 11.739,1112 2.841,1113 15.054,1114 20.947,1115 -1.555,1116 13.222,1117 14.786,1118 7.902,1119 27.131,1120 13.018,1121 2.632,1122 8.787,1123 22.972,1124 4.198,1125 14.487,1126 16.087,1127 8.539,1128 29.832,1129 14.269,1130 2.436,1131 8.694,1132 25.008,1133 3.788,1134 15.782,1135 17.548,1136 9.436,1137 32.544,1138 15.548,1139 2.153,1140 7.787,1141 27.054,1142 3.284,1143 17.071,1144 18.902,1145 10.13,1146 35.252,1147 16.822,1148 1.845,1149 6.797,1150 29.106,1151 2.849,1152 18.371,1153 20.343,1154 10.981,1155 37.964,1156 18.104,1157 1.414,1158 5.279,1159 31.163,1160 2.586,1161 19.671,1162 21.727,1163 11.71,1164 40.675,1165 19.387,1166 6937,1167 10427,1168 18.493,1169 31.54,1170 43.231,1171 44.274,1172 45.164,1173 42.931,1174 42.956,1175 52.889,1176 7.677,1177 133.279,1178 41.465,1179 5.773,1180 5.935,1181 7.644,1182 5.776,1183 5.705,1184 7.198,1185 3.889,1186 23.395,1187 5.637,1188 12.369,1189 1.544,1190 1.581,1191 1.613,1192 1.533,1193 1.534,1194 1.889,1195 0.274,1196 4.76,1197 1.481,1198 4.086,1199 4.123,1200 4.033,1201 3.992,1202 7.435,1203 3.997,1204 3.926,1205 3.959,1206 3.863,1207 3.855,1208 4.846,1209 3.852,1210 3.678,1211 3.719,1212 3.593,1213 3.544,1214 4.746,1215 3.546,1216 3.39,1217 3.433,1218 3.326,1219 3.111,1220 4.459,1221 3.153,1222 3.263,1223 3.34,1224 3.101,1225 3.033,1226 4.13,1227 3.033,1228 3.169,1229 3.256,1230 2.963,1231 2.993,1232 3.938,1233 2.99,1234 3.131,1235 3.233,1236 2.914,1237 2.93,1238 3.89,1239 2.912,1240 2.84,1241 2.897,1242 2.708,1243 2.684,1244 3.807,1245 2.679,1246 0.172,1247 0.141,1248 0.284,1249 0.167,1250 0.132,1251 4.809,1252 0.15,1253 3.935,1254 0.078,1255 7.956,1256 0.538,1257 4.685,1258 0.13,1259 3.705,1260 4.198,1261 2.186,1262 15.054,1263 3.637,1264 1.919,1265 1.894,1266 2.036,1267 2.022,1268 1.31,1269 2.025,1270 1.897,1271 1.873,1272 2.002,1273 1.978,1274 1.135,1275 1.987,1276 1.627,1277 1.573,1278 1.83,1279 1.811,1280 1.035,1281 1.819,1282 1.461,1283 1.379,1284 1.717,1285 1.713,1286 0.951,1287 1.723,1288 1.232,1289 1.189,1290 1.557,1291 1.547,1292 0.635,1293 1.52,1294 1.207,1295 1.126,1296 1.552,1297 1.427,1298 0.604,1299 1.47,1300 1.139,1301 1.061,1302 1.312,1303 1.418,1304 0.408,1305 1.43,1306 0.854,1307 0.776,1308 1.266,1309 1.145,1310 0.27,1311 1.198,1312 4.043,1314 5.416,1315 3.045,1316 6.987,1317 5.587,1318 8.655,1319 7.84,1320 10.378,1322 6.338,1328 2.081,1329 6.368,1330 5.538,1332 0.304,1333 2.277,1334 0.052,1340 29.762,1341 70.843,1342 169.472,1343 226.162,1344 245.814,1345 249.814,1346 249.814,1347 36.401,1348 7.537,1349 53.6,1350 53.6,1351 22,1352 12.826,1353 3.807,1354 3,1355 36.085,1356 91,1357 83,1358 0.196,1359 180.927,1360 315.42,1361 433.223,1362 19056,1364 17.604,1365 0.704,1366 0.592,1367 17.604,1368 14.797,1369 11.987,1370 0.428,1371 0.309,1372 8.53,1373 11.57,1374 8.218,1375 6.841,1376 11.987,1377 8.641,1378 11.411,1379 0.272,1380 0.17,1381 11.411,1382 7.143,1383 9.977,1384 0.169,1385 0.094,1386 9.977,1387 5.528,1388 8.648,1389 0.107,1390 0.051,1391 8.648,1392 4.115,1393 6.716,1394 0.069,1395 0.027,1396 6.716,1397 2.648,1398 0.307,1399 74.8,1400 0.233,1401 24.135,1402 0.54,1403 140,1404 355.782,1405 152.998,1406 345.123,1407 482.93,1408 324,1409 171,1410 369.388,1411 183.809,1412 375.059,1413 554.51,1414 352,1415 7.77}
{0 CHEMBL537908,1 1.337,2 15.344,3 5.922,4 35.072,5 129.499,6 6.944,7 0.611,8 4.188,9 4.312,10 3.712,11 3.801,12 5.191,13 3.752,14 4.746,15 4.922,16 4.054,17 4.213,18 5.68,19 4.135,20 5.053,21 5.282,22 4.066,23 4.345,24 5.929,25 4.222,26 5.12,27 5.386,28 3.942,29 4.288,30 5.944,31 4.139,32 5.03,33 5.304,34 3.908,35 4.215,36 5.869,37 4.075,38 4.926,39 5.163,40 3.865,41 4.188,42 5.838,43 4.054,44 4.903,45 5.151,46 3.72,47 4.136,48 5.756,49 3.974,50 4.809,51 5.077,52 3.622,53 4.009,54 5.602,55 3.845,56 0.054,57 0.845,58 13.163,59 5.788,60 8.203,61 7.961,62 0.163,63 1.452,64 24.297,65 9.921,66 17.009,67 13.888,68 0.232,69 1.862,70 34.766,71 13.731,72 36.18,73 19.417,74 0.312,75 1.935,76 38.592,77 14.49,78 44.782,79 20.682,80 0.324,81 1.749,82 35.427,83 13.506,84 42.294,85 19.319,86 0.295,87 1.576,88 31.148,89 12.376,90 40.392,91 17.226,92 0.282,93 1.523,94 30.587,95 12.404,96 40.532,97 17.335,98 0.16,99 1.394,100 27.853,101 11.365,102 27.255,103 16.208,104 2,105 49,106 0.213,107 0.518,108 0.68,109 0.794,110 0.831,111 0.837,112 3.502,113 0.966,114 -5.8,115 -5.66,116 -5.28,121 45.9,123 4,124 1,127 3,144 13,145 3,148 1,154 1,159 1,163 1,176 19,180 7,183 1,185 2,187 19,192 10,197 4,200 12,206 8,211 3,214 8,218 1,219 6,224 1,227 16,232 1,235 1,237 1,239 20,243 1,244 3,249 1,251 16,256 6,261 1,264 10,269 4,274 2,277 9,281 1904,282 22.239,283 22.239,284 22.239,285 22.239,286 22.239,287 19.599,288 13.867,289 13.404,290 22.422,291 17.836,292 17.836,293 17.836,294 17.836,295 17.836,296 13.891,297 15.853,298 6.472,299 18.14,300 4.594,301 2.681,302 1.67,303 0.955,304 0.721,305 0.689,306 4.216,312 1,313 1099,314 3.162,317 81.903,318 443.207,321 145.938,325 2.49,326 19.436,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 66.5,338 491,339 4.541,340 3.605,341 6.403,342 4.062,343 3.094,344 4.475,345 1.277,346 9.988,347 3.008,348 4.121,349 3.054,350 6.059,351 3.782,352 2.779,353 3.67,354 0.916,355 8.74,356 2.778,357 3.941,358 3.017,359 5.815,360 3.682,361 2.715,362 3.457,363 0.172,364 7.898,365 2.628,366 3.881,367 2.588,368 5.615,369 3.501,370 2.504,371 3.349,373 7.777,374 2.494,375 3.597,376 2.555,377 5.328,378 3.426,379 2.426,380 2.639,382 6.937,383 2.421,384 3.227,385 2.225,386 4.955,387 3.027,388 2.072,389 2.523,391 5.867,392 1.968,393 3.164,394 1.926,395 4.449,396 2.727,397 1.743,398 2.286,400 4.383,401 1.711,402 3.023,403 1.668,404 4.402,405 2.495,406 1.528,407 2.242,409 4.329,410 1.476,411 2.869,412 1.52,413 4.137,414 2.451,415 1.446,416 1.975,418 3.627,419 1.449,420 2.802,421 1.517,422 3.592,423 2.393,424 1.389,425 1.868,427 3.038,428 1.391,429 2.513,430 1.091,431 3.485,432 2,433 1.024,434 1.514,436 2.558,437 1,438 2.5,439 1.077,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.5,448 1.03,449 3.247,450 1.996,451 1,452 1.5,454 2.136,455 0.993,456 2,457 1,458 3.247,459 1.984,460 1,461 1,463 2.136,464 0.983,465 1.912,466 1,467 3.19,468 1.615,469 0.605,470 0.718,472 1.425,473 0.607,474 15.533,475 0.485,476 0.602,477 0.019,478 41.5,479 1.297,480 21.5,481 0.672,482 20,483 0.625,484 27.403,485 0.856,486 33.067,487 0.542,488 28.869,489 0.902,490 7.903,491 0.247,492 7.84,493 0.245,494 0.021,496 0.283,501 0.734,502 1.185,503 0.843,504 1.009,505 0.561,506 0.944,507 0.881,508 1.149,509 0.992,510 1.065,511 0.601,512 1.036,513 1.044,514 1.148,515 1.045,516 1.093,517 0.907,518 1.072,519 1.234,520 1.021,521 1.024,522 0.982,523 1.187,524 0.985,525 1.008,526 0.839,527 0.867,528 0.836,529 1.02,530 0.838,531 1.246,532 0.939,533 1.062,534 1.006,535 1.54,536 1.022,537 1.11,538 0.984,539 1.109,540 1.066,541 1.466,542 1.093,543 0.697,544 1.036,545 0.939,546 1.06,547 0.735,548 1.026,549 5.5,550 0.164,551 2.889,552 1.354,553 1.423,554 0.82,555 0.499,556 0.404,557 0.23,558 0.152,559 18063,560 38022,561 2.194,562 47.5,563 3,564 19,567 1,568 2,569 4,572 1.737,573 2.133,574 3.886,575 -0.465,582 81.533,583 1.337,584 3.249,585 4.261,586 4.976,587 5.209,588 5.242,589 3.367,590 4.5,591 4.969,592 4.063,593 2015.26,594 8.649,595 31619.2,600 361.775,601 1.043,602 4.964,603 0.153,604 0.007,605 0.059,606 0.029,607 0.036,608 0.02,609 0.013,610 0.013,611 0.008,612 0.006,613 0.342,614 0.33,615 0.75,616 0.313,617 173.133,618 0.011,619 -0.071,620 0.062,621 0.007,622 0.013,623 0.033,624 0.009,625 -0.06,626 -0.05,627 -0.079,628 0.031,629 -0.071,630 -0.043,631 -0.14,632 -0.069,633 -0.113,634 0.033,635 -0.097,636 -0.069,637 -0.042,638 -0.016,639 -0.017,640 -0.032,641 -0.013,642 0.079,643 0.125,644 0.141,645 0.138,646 0.077,647 0.145,648 -0.018,649 0.032,650 -0.069,651 -0.017,652 -0.084,653 -0.042,654 -0.025,655 -0.039,656 -0.123,657 -0.069,658 -0.143,659 -0.101,660 0.068,661 -0.098,662 0.039,663 -0.063,664 0.053,665 -0.021,666 1.442,667 5.865,668 0.844,669 42.031,670 0.986,671 1.116,672 4.572,673 20.903,674 0.678,675 3.611,676 3.912,677 4.174,678 4.419,679 4.663,680 4.7,681 4.852,682 4.997,683 5.05,684 5.106,685 8.762,686 0.633,687 423.6,688 3.611,689 5.142,690 5.984,691 6.845,692 7.702,693 8.568,694 9.433,695 10.303,696 11.173,697 12.046,698 4.9,701 1,706 1,708 1,714 2,715 13,716 1,717 1,720 4,722 22,727 1,741 61,743 23,744 3,745 36,747 65,748 28,749 19,750 5,751 13,752 1,756 5,757 6,767 2,768 1,770 4,772 20,773 8,774 1,777 1,782 1,786 1,793 29,794 3,795 1,796 4,799 1,802 3,808 0.8,809 1,828 1,829 4,832 1,855 1,859 4,868 32,876 7,880 1,881 1,893 1.6,896 1,901 15,902 10.733,903 7,904 3.921,907 3.797,908 1.463,909 1.021,910 6.248,911 12.002,912 3.892,913 4.469,914 5.049,915 5.628,916 6.183,917 6.479,918 6.95,919 7.387,920 7.646,921 7.952,922 1,923 47,924 11.888,926 5.084,927 0.026,929 7.5,931 23.491,933 19.967,936 2,937 64,941 329.591,942 160.953,943 36.695,945 25.145,948 160.953,949 354.736,950 36.695,952 16.455,953 123.191,954 49.392,955 31.611,956 2.144,957 329.591,959 329.591,960 197.648,961 25.145,964 282.506,965 72.229,968 40.837,969 140.026,970 16.786,972 329.591,973 61.84,974 160.953,977 329.591,978 37.762,979 126.316,980 16.786,981 41.93,982 329.591,983 61.84,984 160.953,986 0.575,987 0.33,988 0.176,989 0.099,990 24,991 9,992 0.108,993 7,994 1,995 1.074,996 4.632,997 283.763,998 0.074,999 27,1000 148,1005 20.816,1006 9.605,1007 5.067,1008 1.815,1009 45.055,1010 26.597,1011 4.705,1012 3.356,1015 4.04,1017 16.786,1018 552.384,1019 48,1024 12.865,1028 0.225,1031 60.12,1032 68.102,1034 0.225,1035 0.548,1036 0.718,1037 0.839,1038 0.878,1039 0.884,1040 5.109,1041 1.528,1042 5.938,1043 4.383,1044 4.595,1045 5.156,1046 1.752,1047 6.696,1048 4.561,1049 6.286,1050 1.446,1051 7.456,1052 4.329,1053 4.007,1054 4.783,1055 0.325,1056 7.445,1057 3.956,1058 7.568,1059 1.389,1060 9.072,1061 3.627,1062 6.138,1063 7.318,1064 1.986,1065 10.529,1066 6.067,1067 8.883,1068 1.024,1069 10.745,1070 3.038,1071 6.399,1072 7.841,1073 0.393,1074 12.123,1075 6.307,1076 10.234,1077 1,1078 12.457,1079 2.558,1080 7.946,1081 9.802,1082 2.341,1083 14.681,1084 7.837,1085 11.608,1086 1,1087 14.194,1088 2.275,1089 8.613,1090 10.781,1091 0.384,1092 16.634,1093 8.479,1094 13.004,1095 1,1096 15.949,1097 2.136,1098 9.903,1099 12.483,1100 2.756,1101 19.004,1102 9.752,1103 3.094,1104 0.605,1105 17.719,1106 2.136,1107 10.779,1108 13.706,1109 0.351,1110 21.124,1111 10.599,1112 2.779,1113 9.988,1114 19.498,1115 1.425,1116 11.953,1117 15.287,1118 3.203,1119 23.427,1120 11.754,1121 2.715,1122 8.74,1123 21.286,1124 4.475,1125 12.937,1126 16.641,1127 0.312,1128 25.628,1129 12.707,1130 2.504,1131 7.898,1132 23.081,1133 3.67,1134 14.062,1135 18.167,1136 3.667,1137 27.909,1138 13.809,1139 2.426,1140 7.777,1141 24.882,1142 3.457,1143 15.102,1144 19.589,1145 0.273,1146 30.151,1147 14.819,1148 2.072,1149 6.937,1150 26.687,1151 3.349,1152 16.209,1153 21.093,1154 4.143,1155 32.43,1156 15.9,1157 1.743,1158 5.867,1159 28.497,1160 2.639,1161 17.28,1162 22.55,1163 0.236,1164 34.694,1165 16.94,1166 16457,1167 24046,1168 25.137,1169 41.37,1170 54.001,1171 54.688,1172 53.799,1173 53.464,1174 53.46,1175 70.537,1176 4.733,1177 148.316,1178 52.596,1179 5.541,1180 5.605,1181 6.205,1182 5.097,1183 5.094,1184 7.475,1185 2.555,1186 16.618,1187 5.008,1188 7.305,1189 1.5,1190 1.519,1191 1.494,1192 1.485,1193 1.485,1194 1.959,1195 0.131,1196 4.12,1197 1.461,1198 4.136,1199 4.174,1200 4.102,1201 4.029,1202 7.427,1203 4.041,1204 3.955,1205 4.004,1206 3.867,1207 3.867,1208 5.071,1209 3.862,1210 3.858,1211 3.89,1212 3.787,1213 3.8,1214 4.756,1215 3.793,1216 3.82,1217 3.861,1218 3.712,1219 3.724,1220 4.703,1221 3.714,1222 3.581,1223 3.627,1224 3.501,1225 3.411,1226 4.323,1227 3.426,1228 3.324,1229 3.39,1230 3.203,1231 3.162,1232 4.242,1233 3.166,1234 3.142,1235 3.209,1236 3.01,1237 2.997,1238 3.899,1239 2.989,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.831,1245 2.91,1246 0.126,1247 0.1,1248 0.178,1249 0.113,1250 0.086,1251 4.541,1252 0.124,1253 3.605,1254 0.035,1255 6.403,1256 0.277,1257 4.062,1258 0.084,1259 3.094,1260 4.475,1261 1.277,1262 9.988,1263 3.008,1264 1.954,1265 1.927,1266 2.106,1267 2.075,1268 1.485,1269 2.088,1270 1.926,1271 1.893,1272 2.033,1273 2.029,1274 1.184,1275 2.03,1276 1.904,1277 1.876,1278 2.02,1279 1.989,1280 1.133,1281 1.999,1282 1.83,1283 1.782,1284 1.99,1285 1.944,1286 1.087,1287 1.965,1288 1.496,1289 1.442,1290 1.725,1291 1.698,1292 0.983,1293 1.708,1294 1.319,1295 1.256,1296 1.513,1297 1.556,1298 0.825,1299 1.535,1300 1.194,1301 1.137,1302 1.472,1303 1.399,1304 0.687,1305 1.429,1306 1.153,1307 1.064,1308 1.427,1309 1.376,1310 0.485,1311 1.414,1312 4.29,1314 5.595,1315 2.398,1316 7.091,1317 4.727,1318 8.666,1319 6.843,1320 10.282,1328 7.222,1332 0.643,1333 2.531,1340 38.627,1341 81.533,1342 198.205,1343 259.895,1344 303.51,1345 317.775,1346 319.775,1347 47.807,1348 8.205,1349 48.99,1350 48.99,1351 29,1352 12.588,1353 4.585,1354 3.7,1355 46.174,1356 169,1357 164,1358 0.129,1359 234.567,1360 400.31,1361 564.103,1362 51127,1364 21.753,1365 0.68,1366 0.573,1367 21.753,1368 18.335,1369 15.742,1370 0.437,1371 0.322,1372 11.514,1373 15.452,1374 11.263,1375 9.319,1376 15.742,1377 11.591,1378 13.904,1379 0.284,1380 0.181,1381 13.904,1382 8.85,1383 11.901,1384 0.186,1385 0.103,1386 11.901,1387 6.588,1388 9.728,1389 0.119,1390 0.057,1391 9.728,1392 4.666,1393 8.15,1394 0.078,1395 0.033,1396 8.15,1397 3.438,1398 0.212,1399 96.46,1400 0.199,1401 30.899,1402 0.329,1403 170,1404 389.359,1405 178.348,1406 390.043,1407 546.02,1408 368,1409 198,1410 407.819,1411 207.348,1412 419.351,1413 611.5,1414 397,1415 7.481}
{0 CHEMBL538071,1 1.531,2 5.938,3 1.465,4 2.146,5 61.714,6 6.884,7 0.353,8 3.555,9 3.684,10 3.046,11 3.029,12 4.64,13 3.009,14 4.101,15 4.295,16 3.406,17 3.426,18 5.174,19 3.378,20 4.297,21 4.494,22 3.425,23 3.525,24 5.351,25 3.45,26 4.395,27 4.621,28 3.288,29 3.391,30 5.501,31 3.323,32 4.121,33 4.341,34 3.046,35 3.211,36 5.172,37 3.126,38 3.999,39 4.236,40 2.993,41 3.106,42 5.174,43 3.012,44 3.98,45 4.233,46 2.542,47 3.028,48 4.984,49 2.867,50 3.878,51 4.197,52 1.474,53 2.794,54 4.554,55 2.439,56 0.022,57 0.456,58 7.309,59 2.856,60 7.163,61 3.996,62 0.311,63 0.704,64 13.669,65 4.715,66 22.793,67 6.816,68 0.081,69 0.798,70 16.467,71 6.036,72 18.784,73 8.514,74 0.411,75 0.738,76 19.816,77 5.553,78 54.025,79 7.861,80 0.223,81 0.618,82 14.547,83 4.285,84 27.866,85 6.277,86 0.187,87 0.566,88 12.672,89 3.94,90 33.79,91 5.911,92 0.233,93 0.526,94 12.735,95 3.688,96 35.773,97 5.6,98 0.102,99 0.444,100 11.292,101 3.737,102 20.597,103 5.976,104 20,105 24,106 0.294,107 0.638,108 0.79,109 0.819,110 0.819,111 0.819,112 2.854,113 0.946,114 -2.81,115 -2.82,116 -2.74,121 37.5,123 2,126 2,129 1,144 3,145 2,146 1,161 1,165 1,166 1,167 1,176 6,179 3,180 2,185 2,187 8,189 2,192 2,197 2,200 4,203 2,206 7,208 1,209 1,211 2,214 3,216 2,219 4,224 1,229 1,232 6,234 2,235 2,281 258,282 10.414,283 10.414,284 10.414,285 10.414,286 10.414,287 9.556,288 14.147,289 6.023,290 10.643,291 8.346,292 8.346,293 8.346,294 8.346,295 8.346,296 6.925,297 17.125,298 2.81,299 8.692,300 3.469,301 1.674,302 0.883,303 0.735,304 0.735,305 0.735,306 3.496,311 1,312 1,313 195,314 3,317 30.35,318 39.006,321 58.458,325 0.836,326 16.617,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 35,338 95,339 4.468,340 3.777,341 6.772,342 4.152,343 3.171,344 4.086,345 2.208,346 11.066,347 3.112,348 3.861,349 3.393,350 5.777,351 3.578,352 2.646,353 3.054,354 0.655,355 7.635,356 2.444,357 3.319,358 2.421,359 5.159,360 3.014,361 2.06,362 2.537,363 0.522,364 6.008,365 1.96,366 3.157,367 2.182,368 4.925,369 2.89,370 1.905,371 2.323,372 0.13,373 5.341,374 1.873,375 2.539,376 1.976,377 3.887,378 2.18,379 1.198,380 1.548,382 2.805,383 1.175,384 2.315,385 1.27,386 3.575,387 2.039,388 1.082,389 1.222,391 2.591,392 1.019,393 1.9,394 1.105,395 3.258,396 1.742,397 0.751,398 0.834,400 1.761,401 0.739,402 1.219,403 0.593,404 2.473,405 0.81,406 -0.153,407 -0.194,409 -0.381,410 -0.145,411 0.679,412 -0.198,413 2.255,414 0.396,415 -0.573,416 -0.657,418 -1.355,419 -0.554,420 0.538,421 -0.35,422 2,423 0.088,424 -0.911,425 -1,427 -2,428 -0.894,430 -0.6,431 1.835,432 -0.1,433 -1,434 -1.208,436 -2.332,437 -0.9,438 -0.032,439 -0.918,440 1.41,441 -0.236,442 -1.218,443 -1.431,445 -3.196,446 -1.194,447 -0.249,448 -1.114,449 1.374,450 -0.503,451 -1.467,452 -1.806,454 -4.159,455 -1.43,456 -0.5,457 -1.296,458 1.091,459 -0.728,460 -1.716,461 -1.905,462 -0.4,463 -4.785,464 -1.6,465 -0.575,466 -1.437,467 1,468 -0.858,469 -1.811,470 -2.13,471 -0.522,472 -5.639,473 -1.701,474 7.467,475 0.467,476 0.494,477 0.031,478 18.25,479 1.141,480 8,481 0.5,482 10.25,483 0.641,484 11.772,485 0.736,486 18.333,487 0.573,488 12.056,489 0.754,490 3.656,491 0.228,492 3.936,493 0.246,494 0.232,496 0.388,501 0.832,502 1.408,503 0.867,504 1.209,505 0.737,506 1.056,507 0.598,508 0.806,509 0.803,510 0.818,511 0.479,512 0.825,513 0.893,514 1.338,515 0.96,516 1.346,517 0.747,518 1.193,519 1.841,520 0.895,521 1.15,522 0.856,523 1.649,524 0.899,525 1.528,526 1.135,527 1.193,528 1.036,529 1.221,530 1.061,531 0.864,532 1.132,533 0.98,534 1.122,535 1.287,536 1.078,537 1.398,538 0.958,539 1.425,540 1.013,541 1.856,542 1.189,543 0.382,544 1.215,545 1.334,546 1.451,547 0.528,548 1.533,549 3.5,551 2.222,552 1.285,553 0.653,554 0.489,555 0.367,556 0.137,559 1698,560 4352,561 1.958,562 50,563 2,564 10,567 2,569 2,572 1.556,573 1.778,574 2.64,575 0.451,577 1,578 1,579 1,582 48.98,583 1.531,584 3.326,585 4.117,586 4.265,587 4.265,588 4.265,589 1.883,590 3.5,591 3.975,592 2.739,593 328.642,594 6.713,595 2852.96,597 1,599 1,600 160,601 1.561,602 3.895,603 0.206,605 0.093,606 0.056,607 0.034,608 0.033,609 0.026,610 0.017,613 0.465,614 0.83,615 1,616 1.5,617 63.277,618 -0.06,619 -0.124,620 0.037,621 -0.055,622 -0.102,623 0.004,624 0.303,625 0.345,626 0.147,627 0.227,628 0.174,629 0.177,630 -0.006,631 -0.289,632 -0.026,633 -0.28,634 0.028,635 -0.171,636 -0.229,637 -0.001,638 -0.093,639 0.066,640 -0.178,641 0.011,642 -0.252,643 -0.154,644 -0.189,645 -0.079,646 -0.144,647 -0.122,648 0.092,649 -0.118,650 -0.012,651 -0.163,652 0.09,653 -0.12,654 -0.332,655 0.018,656 -0.446,657 -0.09,658 -0.304,659 -0.261,660 -0.023,661 -0.322,662 -0.451,663 -0.519,664 -0.099,665 -0.551,666 2.035,667 4.482,668 0.563,669 8.359,670 1.001,671 1.135,672 1.583,673 2.506,674 0.633,675 2.89,676 3.219,677 3.466,678 3.689,679 3.807,680 3.807,681 3.807,682 3.714,683 3.401,684 3.045,685 3.974,686 0.599,687 220.3,688 2.89,689 4.419,690 5.263,691 6.142,692 7.011,693 7.897,694 8.774,695 9.663,696 10.544,697 11.434,698 6.3,699 1,705 1,715 3,720 3,722 6,737 1,741 32,743 7,744 1,745 17,747 33,748 12,749 6,750 3,751 3,756 2,757 3,767 3,770 3,772 7,773 5,777 1,782 1,786 1,790 1,793 16,794 4,795 2,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,851 1,859 1,864 2,868 16,869 1,876 2,878 1,880 1,881 1,893 6.3,896 1,898 1,901 9,902 6.2,903 3.528,904 1.825,907 1.354,908 1.229,909 0.939,910 3.055,911 7.276,912 3.091,913 3.624,914 4.123,915 4.604,916 5.033,917 5.15,918 5.305,919 5.439,920 5.134,921 4.86,922 0.75,923 23,924 5.913,926 2.458,927 0.026,929 7.844,931 11.253,933 9.074,936 2.344,937 37.5,938 0.003,941 164.795,942 68.668,943 36.022,945 36.145,948 68.668,949 200.94,950 36.022,951 16.793,952 41.091,953 28.429,954 25.145,955 22.614,956 6.763,957 164.795,959 164.795,960 104.689,961 36.145,964 141.253,965 59.687,968 41.091,969 63.599,972 164.795,973 72.166,974 68.668,977 164.795,978 23.446,979 48.346,981 69.042,982 164.795,983 72.166,984 68.668,986 0.59,987 0.346,988 0.171,989 0.089,990 12,991 6,992 0.061,993 2,994 1,995 1.222,996 2.735,997 106.972,998 0.222,999 9,1000 62,1005 11.27,1006 4.337,1007 2.169,1009 72.166,1010 5.732,1015 2.774,1017 32.897,1018 305.629,1019 21,1024 11.482,1028 -0.368,1031 32.043,1032 36.322,1034 0.306,1035 0.665,1036 0.823,1037 0.853,1038 0.853,1039 0.853,1040 4.337,1041 -0.153,1042 5.273,1043 1.761,1044 3.892,1045 4.304,1046 2.372,1047 6.103,1048 3.817,1049 5.53,1050 -0.573,1051 6.855,1052 -0.381,1053 3.611,1054 4.182,1055 1.847,1056 7.091,1057 3.489,1058 6.835,1059 -0.911,1060 8.541,1061 -1.355,1062 5.501,1063 6.406,1064 3.532,1065 10.189,1066 5.359,1067 8.176,1068 -1,1069 10.285,1070 -2,1071 6.019,1072 7.081,1073 3.656,1074 12.03,1075 5.842,1076 9.552,1077 -1.218,1078 12.066,1079 -2.332,1080 7.431,1081 8.848,1082 4.956,1083 14.664,1084 7.238,1085 10.951,1086 -1.467,1087 13.875,1088 -3.196,1089 8.299,1090 9.888,1091 5.37,1092 16.849,1093 8.084,1094 12.37,1095 -1.716,1096 15.703,1097 -4.159,1098 9.535,1099 11.471,1100 6.458,1101 19.33,1102 9.307,1103 3.171,1104 -1.811,1105 17.547,1106 -4.785,1107 10.558,1108 12.689,1109 7.028,1110 21.651,1111 10.315,1112 2.646,1113 11.066,1114 19.403,1115 -5.639,1116 11.73,1117 14.187,1118 7.994,1119 24.08,1120 11.475,1121 2.06,1122 7.635,1123 21.27,1124 4.086,1125 12.821,1126 15.496,1127 8.654,1128 26.452,1129 12.553,1130 1.905,1131 6.008,1132 23.144,1133 3.054,1134 13.972,1135 16.95,1136 9.549,1137 28.864,1138 13.692,1139 1.198,1140 5.341,1141 25.025,1142 2.537,1143 15.093,1144 18.306,1145 10.263,1146 31.256,1147 14.801,1148 1.082,1149 2.805,1150 26.912,1151 2.323,1152 16.24,1153 19.738,1154 11.116,1155 33.662,1156 15.934,1157 0.751,1158 2.591,1159 28.803,1160 1.548,1161 17.375,1162 21.118,1163 11.862,1164 36.061,1165 17.056,1166 1805,1167 2957,1168 10.751,1169 20.25,1170 25.825,1171 26.769,1172 27.175,1173 25.685,1174 25.627,1175 31.205,1176 7.029,1177 74.415,1178 24.644,1179 5.344,1180 5.777,1181 6.308,1182 5.215,1183 5.171,1184 7.086,1185 3.912,1186 17.948,1187 5.112,1188 9.038,1189 1.519,1190 1.575,1191 1.599,1192 1.511,1193 1.507,1194 1.836,1195 0.413,1196 4.377,1197 1.45,1198 4.027,1199 4.054,1200 3.969,1201 3.957,1202 7.433,1203 3.956,1204 3.633,1205 3.696,1206 3.545,1207 3.362,1208 5.037,1209 3.389,1210 3.451,1211 3.517,1212 3.312,1213 3.303,1214 4.729,1215 3.301,1216 3.109,1217 3.174,1218 2.971,1219 2.894,1220 4.289,1221 2.902,1222 2.949,1223 3.012,1224 2.767,1225 2.618,1226 4.079,1227 2.648,1228 2.874,1229 3.009,1230 2.499,1231 2.61,1232 3.868,1233 2.57,1234 2.641,1235 2.712,1236 2.477,1237 2.418,1238 3.467,1239 2.396,1240 2.541,1241 2.606,1242 2.366,1243 2.366,1244 3.236,1245 2.382,1246 0.263,1247 0.222,1248 0.398,1249 0.244,1250 0.187,1251 4.468,1252 0.24,1253 3.777,1254 0.13,1255 6.772,1256 0.651,1257 4.152,1258 0.183,1259 3.171,1260 4.086,1261 2.208,1262 11.066,1263 3.112,1264 1.891,1265 1.874,1266 1.985,1267 1.983,1268 1.175,1269 1.981,1270 1.58,1271 1.516,1272 1.826,1273 1.809,1274 1.143,1275 1.806,1276 1.512,1277 1.435,1278 1.781,1279 1.769,1280 0.834,1281 1.789,1282 1.105,1283 1.038,1284 1.417,1285 1.348,1286 0.491,1287 1.365,1288 0.934,1289 0.87,1290 1.38,1291 1.239,1292 0.469,1293 1.308,1294 0.888,1295 0.804,1296 1.064,1297 1.224,1298 0.114,1299 1.168,1300 0.599,1301 0.556,1302 0.978,1303 0.913,1305 0.95,1306 0.521,1307 0.381,1308 0.797,1309 0.831,1311 0.835,1312 3.555,1314 4.875,1315 2.398,1316 6.385,1317 4.727,1318 7.986,1319 6.823,1320 9.638,1322 3.316,1326 5.994,1328 1.885,1330 5.296,1332 -0.013,1333 1.403,1340 19.16,1341 48.98,1342 106.436,1343 131.735,1344 136.49,1345 136.49,1346 136.49,1347 24.837,1348 5.922,1349 55.56,1350 55.56,1351 11,1352 11.965,1353 3,1354 2.322,1355 25.812,1356 37,1357 34,1358 0.358,1359 120.963,1360 209.56,1361 286.91,1362 2159,1364 11.707,1365 0.732,1366 0.598,1367 11.707,1368 9.565,1369 7.592,1370 0.447,1371 0.315,1372 5.268,1373 7.261,1374 5.072,1375 4.257,1376 7.592,1377 5.358,1378 7.04,1379 0.293,1380 0.177,1381 7.04,1382 4.237,1383 5.701,1384 0.184,1385 0.091,1386 5.701,1387 2.814,1388 4.372,1389 0.112,1390 0.05,1391 4.372,1392 1.958,1393 3.303,1394 0.075,1395 0.027,1396 3.303,1397 1.204,1398 0.527,1399 47.98,1400 0.305,1401 15.793,1402 1.079,1403 82,1404 244.428,1405 91.529,1406 232.7,1407 313.11,1408 216,1409 96,1410 228.656,1411 105.31,1412 231.931,1413 338.15,1414 215,1415 6.337}
{0 CHEMBL538109,1 1.49,2 10.5,3 2.618,4 6.855,5 104.918,6 6.937,7 0.387,8 4.101,9 4.226,10 3.615,11 3.605,12 5.128,13 3.578,14 4.694,15 4.88,16 4.059,17 4.059,18 5.724,19 4.021,20 4.994,21 5.181,22 4.163,23 4.272,24 6.004,25 4.204,26 5.149,27 5.388,28 4.105,29 4.309,30 6.125,31 4.207,32 5.141,33 5.384,34 3.905,35 4.19,36 6.166,37 4.054,38 5.018,39 5.311,40 3.688,41 3.903,42 5.959,43 3.777,44 4.516,45 4.718,46 3.578,47 3.641,48 5.661,49 3.583,50 4.415,51 4.607,52 3.517,53 3.653,54 5.531,55 3.584,56 0.07,57 0.804,58 12.492,59 5.097,60 8.145,61 7.063,62 0.389,63 1.344,64 24.289,65 8.658,66 36.06,67 12.323,68 0.336,69 1.72,70 33.179,71 11.836,72 51.046,73 16.566,74 0.372,75 1.908,76 39.828,77 13.183,78 51.227,79 19.294,80 0.441,81 1.718,82 40.312,83 13.725,84 78.677,85 19.408,86 0.61,87 1.338,88 37.787,89 11.547,90 79.849,91 16.505,92 0.508,93 0.924,94 21.884,95 6.976,96 56.166,97 9.35,98 0.338,99 0.925,100 19.05,101 6.292,102 39.539,103 8.659,104 38,105 48,106 0.247,107 0.58,108 0.795,109 0.872,110 0.884,111 0.884,112 3.375,113 0.957,114 -1.51,115 -1.59,116 -1.63,121 40,122 2,123 2,125 1,126 2,127 1,130 1,144 7,145 2,146 3,161 1,176 11,178 1,179 1,180 5,182 1,183 2,185 2,187 12,189 2,192 6,193 1,197 3,200 10,201 2,203 2,206 7,211 4,214 6,215 2,216 2,218 1,219 10,224 2,227 3,228 2,229 1,232 5,234 1,237 1,239 4,240 1,243 1,244 2,245 1,247 1,249 2,251 10,258 1,263 1,264 12,269 2,270 1,275 1,277 11,281 1114,282 18.374,283 18.374,284 18.374,285 18.374,286 18.374,287 16.807,288 27.091,289 10.295,290 18.734,291 15.194,292 15.194,293 15.194,294 15.194,295 15.194,296 12.722,297 36.932,298 4.76,299 15.79,300 4.291,301 2.291,302 0.994,303 0.528,304 0.455,305 0.455,306 4.062,310 1,311 1,312 1,313 638,314 3.937,317 108.423,318 153.688,320 87.672,321 93.043,324 130.328,325 1.571,326 28.049,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 60.5,338 294,339 4.909,340 4.105,341 8.167,342 4.808,343 3.842,344 4.228,345 2.186,346 15.951,347 3.722,348 4.223,349 3.682,350 7.028,351 3.989,352 3.039,353 3.813,354 1.181,355 11.413,356 2.877,357 4.182,358 3.348,359 6.18,360 3.849,361 2.872,362 3.469,363 0.792,364 9.094,365 2.808,366 3.817,367 2.97,368 6.154,369 3.544,370 2.587,371 3.032,372 0.366,373 8.751,374 2.473,375 3.624,376 2.745,377 5.633,378 3.372,379 2.436,380 2.762,382 7.423,383 2.262,384 3.387,385 2.599,386 5.366,387 3.018,388 2.048,389 2.581,391 6.105,392 1.967,393 2.917,394 1.886,395 4.823,396 2.585,397 1.628,398 2.088,400 5.239,401 1.554,402 2.855,403 1.801,404 4.353,405 2.507,406 1.511,407 1.959,409 3.829,410 1.502,411 2.798,412 1.494,413 4.228,414 2.367,415 1.377,416 1.86,418 3.089,419 1.358,420 2.519,421 1.186,422 3.781,423 2.136,424 1.142,425 1.523,427 3.004,428 1.134,429 1.818,430 0.938,431 3.616,432 1.736,433 0.764,434 0.797,436 1.926,437 0.741,438 1.731,439 0.762,440 3.157,441 1.526,442 0.531,443 0.616,445 0.907,446 0.528,447 1.259,448 0.635,449 3.002,450 0.987,451 0.062,452 0.07,454 0.154,455 0.057,456 1.139,457 0.29,458 3,459 0.814,460 -0.156,461 -0.167,463 -0.39,464 -0.149,465 0.858,466 0.085,467 2.825,468 0.713,469 -0.259,470 -0.314,472 -0.616,473 -0.25,474 13.2,475 0.471,476 0.999,477 0.036,478 33.5,479 1.196,480 15,481 0.536,482 18.5,483 0.661,484 27.473,485 0.981,486 31.2,487 0.567,488 26.099,489 0.932,490 6.336,491 0.226,492 6.923,493 0.247,494 0.202,495 0.068,496 0.295,501 0.656,502 1.433,503 0.828,504 1.179,505 0.576,506 1.049,507 0.707,508 0.935,509 0.773,510 0.843,511 0.525,512 0.806,513 1.162,514 1.286,515 1.075,516 1.152,517 1.175,518 1.112,519 1.03,520 1.062,521 1.071,522 1.071,523 0.787,524 1.058,525 1.191,526 1.145,527 1.153,528 1.226,529 1.312,530 1.195,531 1.432,532 0.642,533 0.813,534 0.654,535 1.265,536 0.654,537 1.736,538 0.871,539 1.094,540 0.845,541 1.602,542 0.889,543 1.535,544 0.939,545 1.234,546 0.954,547 1.778,548 1.035,549 8,550 0.245,551 4.667,552 4.271,553 1.993,554 0.993,555 0.709,556 0.332,557 0.336,558 0.276,559 9540,560 22036,561 2.034,562 49.1,563 8,564 15,565 1,567 1,569 2,572 1.709,573 1.846,574 3.337,575 -0.358,576 1,577 1,582 81.976,583 1.49,584 3.49,585 4.787,586 5.254,587 5.326,588 5.326,589 2.717,590 4.593,591 4.782,592 3.539,593 1337.65,594 8.305,595 17414.6,597 1,599 1,600 317.975,601 1.788,602 4.696,603 0.258,604 0.01,605 0.097,606 0.084,607 0.043,608 0.029,609 0.024,610 0.012,611 0.013,612 0.011,613 0.582,614 0.5,615 1,616 0.82,617 139.768,618 0.089,619 -0.178,620 0.077,621 -0.062,622 -0.05,623 -0.01,624 0.212,625 0.23,626 0.185,627 0.183,628 0.159,629 0.184,630 -0.095,631 -0.198,632 -0.106,633 -0.122,634 -0.109,635 -0.122,636 -0.102,637 -0.016,638 -0.096,639 -0.101,640 0.034,641 -0.088,642 -0.062,643 -0.205,644 -0.156,645 -0.25,646 -0.089,647 -0.221,648 -0.048,649 0.16,650 0.246,651 0.259,652 -0.041,653 0.29,654 -0.022,655 0.087,656 -0.03,657 0.123,658 -0.083,659 0.046,660 -0.183,661 0.144,662 -0.222,663 0.03,664 -0.245,665 -0.086,666 2.176,667 5.926,668 0.643,669 24.056,670 0.998,671 1.129,672 0.282,673 0.08,674 0.646,675 3.466,676 3.892,677 4.22,678 4.575,679 4.771,680 4.836,681 5.017,682 5.094,683 5.094,684 5.176,685 6.438,686 0.61,687 381.52,688 3.466,689 5.069,690 5.964,691 6.911,692 7.829,693 8.784,694 9.717,695 10.677,696 11.62,697 12.584,698 5.5,704 1,705 1,712 1,715 7,720 5,722 12,736 1,737 1,741 55,743 13,744 2,745 31,747 58,748 22,749 12,750 5,751 7,756 4,757 7,763 2,764 1,766 1,767 1,770 2,772 13,773 9,777 1,782 1,786 1,789 1,790 1,793 27,794 5,795 1,796 6,802 3,803 1,807 1,808 0.5,809 3,825 1,828 2,829 2,831 1,832 1,835 1,859 2,864 4,868 28,876 3,877 1,878 1,880 1,881 1,882 1,883 1,893 5.5,896 1,898 1,900 1,901 15.167,902 11.093,903 5.944,904 3.526,907 2.235,908 1.286,909 0.938,910 4.556,911 10.063,912 3.664,913 4.263,914 4.787,915 5.344,916 5.82,917 5.985,918 6.321,919 6.587,920 6.734,921 6.946,922 0.857,923 51,924 10.448,926 4.596,927 0.026,929 7.735,931 20.082,933 17.213,936 2.235,937 62.583,940 1,941 306.049,942 131.842,943 21.135,945 62.981,948 131.842,949 369.03,950 21.135,951 34.443,952 52.022,953 66.334,954 25.145,955 31.252,956 18.534,957 294.278,959 306.049,960 152.977,961 62.981,964 309.343,965 59.687,968 42.836,969 110.141,972 306.049,973 84.116,974 131.842,977 306.049,978 31.065,979 103.901,980 18.011,981 62.981,982 306.049,983 84.116,984 131.842,986 0.605,987 0.367,988 0.208,989 0.108,990 26,991 12,992 0.069,993 4,994 2,995 1.222,996 3.803,997 256.746,998 0.222,999 18,1000 134.606,1005 19.099,1006 6.679,1007 3.066,1009 84.116,1010 13.353,1015 4.433,1017 18.011,1018 522.007,1019 38,1024 12.428,1028 -0.509,1031 54.891,1032 62.106,1034 0.258,1035 0.604,1036 0.828,1037 0.909,1038 0.921,1039 0.921,1040 4.984,1041 1.511,1042 6.047,1043 5.239,1044 4.575,1045 4.949,1046 2.525,1047 7.033,1048 4.499,1049 6.231,1050 1.377,1051 7.727,1052 3.829,1053 4.575,1054 4.945,1055 2.026,1056 8.541,1057 4.454,1058 7.596,1059 1.142,1060 9.528,1061 3.089,1062 6.405,1063 7.106,1064 3.568,1065 11.688,1066 6.254,1067 8.995,1068 0.764,1069 11.405,1070 3.004,1071 7.201,1072 7.831,1073 3.654,1074 14.027,1075 7.012,1076 10.429,1077 0.531,1078 13.333,1079 1.926,1080 8.629,1081 9.567,1082 4.928,1083 16.861,1084 8.412,1085 11.888,1086 0.062,1087 15.298,1088 0.907,1089 9.747,1090 10.622,1091 5.305,1092 19.486,1093 9.497,1094 13.368,1095 -0.156,1096 17.289,1097 0.154,1098 11.074,1099 12.19,1100 6.394,1101 22.258,1102 10.797,1103 3.842,1104 -0.259,1105 19.302,1106 -0.39,1107 12.319,1108 13.411,1109 6.935,1110 24.977,1111 12.012,1112 3.039,1113 15.951,1114 21.332,1115 -0.616,1116 13.634,1117 14.902,1118 7.904,1119 27.74,1120 13.298,1121 2.872,1122 11.413,1123 23.375,1124 4.228,1125 14.931,1126 16.213,1127 8.54,1128 30.491,1129 14.566,1130 2.587,1131 9.094,1132 25.428,1133 3.813,1134 16.253,1135 17.668,1136 9.436,1137 33.255,1138 15.858,1139 2.436,1140 8.751,1141 27.49,1142 3.469,1143 17.573,1144 19.029,1145 10.13,1146 36.017,1147 17.148,1148 2.048,1149 7.423,1150 29.559,1151 3.032,1152 18.903,1153 20.467,1154 10.982,1155 38.783,1156 18.448,1157 1.628,1158 6.105,1159 31.634,1160 2.762,1161 20.235,1162 21.857,1163 11.71,1164 41.549,1165 19.75,1166 9156,1167 14034,1168 19.879,1169 35.517,1170 48.203,1171 48.769,1172 50.648,1173 47.689,1174 47.677,1175 57.597,1176 9.05,1177 153.771,1178 45.961,1179 5.873,1180 6.105,1181 7.862,1182 5.9,1183 5.842,1184 7.228,1185 3.889,1186 24.922,1187 5.722,1188 16.465,1189 1.555,1190 1.573,1191 1.634,1192 1.538,1193 1.538,1194 1.858,1195 0.292,1196 4.96,1197 1.483,1198 4.119,1199 4.16,1200 4.064,1201 4.008,1202 7.435,1203 4.016,1204 3.939,1205 3.972,1206 3.876,1207 3.868,1208 7.236,1209 3.864,1210 3.748,1211 3.788,1212 3.674,1213 3.592,1214 4.836,1215 3.602,1216 3.421,1217 3.48,1218 3.359,1219 3.242,1220 4.737,1221 3.216,1222 3.38,1223 3.442,1224 3.179,1225 3.122,1226 4.39,1227 3.167,1228 3.299,1229 3.389,1230 3.121,1231 3.084,1232 4.081,1233 3.082,1234 3.249,1235 3.321,1236 3.1,1237 2.999,1238 4.02,1239 3.02,1240 2.98,1241 3.095,1242 2.711,1243 2.768,1244 3.928,1245 2.734,1246 0.158,1247 0.132,1248 0.263,1249 0.155,1250 0.124,1251 4.909,1252 0.136,1253 4.105,1254 0.071,1255 8.167,1256 0.515,1257 4.808,1258 0.12,1259 3.842,1260 4.228,1261 2.186,1262 15.951,1263 3.722,1264 1.928,1265 1.901,1266 2.051,1267 2.03,1268 1.31,1269 2.035,1270 1.899,1271 1.878,1272 2.004,1273 1.99,1274 1.211,1275 1.993,1276 1.661,1277 1.598,1278 1.854,1279 1.929,1280 1.154,1281 1.91,1282 1.589,1283 1.522,1284 1.821,1285 1.774,1286 1.025,1287 1.795,1288 1.423,1289 1.346,1290 1.738,1291 1.63,1292 0.841,1293 1.668,1294 1.261,1295 1.21,1296 1.583,1297 1.563,1298 0.648,1299 1.551,1300 1.153,1301 1.085,1302 1.454,1303 1.446,1304 0.57,1305 1.434,1306 1.017,1307 0.903,1308 1.315,1309 1.292,1310 0.353,1311 1.354,1312 4.143,1314 5.541,1315 3.045,1316 7.136,1317 5.687,1318 8.827,1319 8.009,1320 10.575,1322 7.907,1328 2.229,1329 2.831,1330 5.572,1332 -0.15,1333 2.08,1334 -0.245,1335 -0.272,1340 33.53,1341 81.976,1342 191.961,1343 263.304,1344 288.955,1345 292.955,1346 292.955,1347 57.392,1348 7.828,1349 58.64,1350 58.64,1351 22,1352 13.068,1353 3.807,1354 3,1355 42.604,1356 110,1357 100,1358 0.194,1359 204.108,1360 358.81,1361 489.784,1362 26917,1364 20.104,1365 0.718,1366 0.603,1367 20.104,1368 16.882,1369 13.259,1370 0.428,1371 0.319,1372 9.744,1373 12.719,1374 9.394,1375 7.799,1376 13.259,1377 9.891,1378 13.07,1379 0.272,1380 0.175,1381 13.07,1382 8.413,1383 10.953,1384 0.163,1385 0.097,1386 10.953,1387 6.503,1388 9.968,1389 0.104,1390 0.054,1391 9.968,1392 5.231,1393 7.697,1394 0.066,1395 0.029,1396 7.697,1397 3.434,1398 0.303,1399 83.299,1400 0.224,1401 26.492,1402 0.533,1403 158,1404 425.755,1405 174.487,1406 405.131,1407 554.19,1408 378,1409 194,1410 414.183,1411 211.743,1412 415.134,1413 616.08,1414 390,1415 6.903}
{0 CHEMBL538352,1 1.723,2 9.524,3 0.987,4 0.975,5 76.999,6 7.667,7 0.5,8 3.764,9 3.887,10 3.335,11 3.109,12 5.059,13 3.143,14 4.214,15 4.407,16 3.567,17 3.448,18 5.293,19 3.456,20 4.353,21 4.538,22 3.605,23 3.606,24 5.409,25 3.564,26 4.545,27 4.78,28 3.588,29 3.573,30 5.597,31 3.512,32 4.491,33 4.739,34 3.468,35 3.395,36 5.613,37 3.367,38 4.365,39 4.59,40 3.24,41 3.289,42 5.533,43 3.227,44 4.181,45 4.462,46 3.158,47 3.252,48 5.09,49 3.172,50 4.053,51 4.275,52 3.207,53 3.248,54 5.153,55 3.191,56 0.206,57 0.561,58 8.026,59 2.583,60 21.514,61 3.835,62 0.45,63 0.802,64 14.44,65 3.584,66 19.166,67 5.629,68 0.324,69 0.9,70 15.849,71 5.571,72 19.81,73 7.916,74 0.58,75 0.889,76 21.623,77 5.789,78 28.997,79 9.201,80 0.628,81 0.739,82 21.857,83 4.815,84 50.724,85 7.798,86 0.779,87 0.659,88 19.557,89 4.532,90 73.841,91 6.836,92 0.392,93 0.64,94 15.977,95 4.159,96 30.41,97 6.735,98 0.352,99 0.628,100 12.859,101 3.758,102 26.384,103 5.818,104 18,105 28,106 0.311,107 0.625,108 0.785,109 0.858,110 0.896,111 0.906,112 3.102,113 0.874,114 -1.68,115 -1.74,116 -1.77,121 34.2,126 1,128 2,144 3,147 2,148 1,153 1,157 2,163 1,172 2,176 2,182 3,187 1,189 2,191 1,192 1,194 2,203 1,205 1,206 3,209 1,211 1,213 2,217 1,218 2,219 2,224 1,234 1,235 2,237 1,241 2,246 2,253 1,256 2,263 2,268 1,269 3,281 550,282 14.483,283 14.483,284 14.483,285 14.483,286 14.483,287 12.365,288 18.76,289 9.014,290 15.066,291 10.79,292 10.79,293 10.79,294 10.79,295 10.79,296 8.073,297 26.892,298 4.063,299 11.64,300 3.525,301 1.787,302 0.902,303 0.494,304 0.283,305 0.23,306 3.765,311 1,312 1,313 409,314 3.082,317 63.082,318 75.579,325 1.306,326 14.863,329 1,330 1,331 1,332 0.6,334 1,335 1,336 0.8,337 47.5,338 200,339 4.399,340 3.631,341 6.47,342 3.941,343 3.025,344 4.086,345 1.697,346 10.003,347 2.769,348 4.217,349 3.627,350 6.137,351 3.779,352 2.842,353 3.84,354 1.697,355 9.03,356 2.664,357 3.192,358 3.105,359 4.954,360 2.826,361 1.938,362 2.353,363 1.157,364 5.43,365 1.718,366 3.116,367 2.929,368 4.444,369 2.628,370 1.693,371 2.28,372 0.297,373 4.451,374 1.582,375 3.041,376 2.331,377 4.111,378 2.483,379 1.529,380 2.129,382 3.597,383 1.459,384 2.929,385 1.863,386 3.651,387 2.463,388 1.493,389 2.095,391 3.116,392 1.438,393 2.557,394 1.534,395 3.388,396 1.964,397 1.031,398 1.454,400 2.302,401 0.962,402 2.367,403 1.465,404 3.119,405 1.904,406 1,407 1.252,409 1.743,410 0.894,411 2.216,412 1.33,413 3.096,414 1.806,415 0.856,416 1.153,418 1.557,419 0.81,420 1.363,421 0.768,422 2.67,423 1.141,424 0.205,425 0.228,427 0.42,428 0.19,429 1.022,430 0.684,431 2,432 0.837,433 -0.128,434 -0.142,436 -0.228,437 -0.123,438 0.76,439 0.403,440 2,441 0.486,442 -0.45,443 -0.519,445 -0.834,446 -0.418,447 0.519,448 -0.178,449 2,450 0.134,451 -0.811,452 -1.017,454 -1.538,455 -0.764,456 0.437,457 -0.467,458 1.805,459 0.018,460 -0.9,461 -1.117,463 -1.909,464 -0.826,465 0.387,466 -0.82,467 1.562,468 -0.05,469 -1,470 -1.476,472 -2.185,473 -0.947,474 9.5,475 0.452,476 0.328,477 0.016,478 25.75,479 1.226,480 11,481 0.524,482 14.75,483 0.702,484 13.76,485 0.655,486 24.1,487 0.634,488 19.057,489 0.907,490 6.033,491 0.287,492 4.225,493 0.201,494 0.123,496 0.232,501 0.87,502 1.736,503 0.791,504 1.29,505 0.822,506 1.067,507 1.094,508 0.933,509 0.99,510 0.713,511 0.576,512 0.782,513 0.784,514 1.222,515 1.02,516 1.341,517 0.638,518 1.254,519 0.787,520 1.125,521 0.993,522 1.218,523 0.567,524 1.163,525 1.259,526 0.921,527 1.006,528 0.94,529 1.029,530 0.907,531 1.461,532 0.895,533 1.246,534 0.874,535 1.726,536 1.018,537 0.728,538 0.661,539 0.783,540 0.661,541 0.607,542 0.713,543 0.772,544 1.007,545 0.917,546 0.905,547 0.994,548 0.944,549 3,550 0.086,551 2.444,552 1.417,553 0.712,554 0.396,555 0.264,556 0.201,557 0.18,558 0.12,559 4261,560 14031,561 1.995,562 44.7,564 6,565 5,566 4,567 2,572 1.63,573 1.881,574 3.239,575 0.472,577 1,579 1,582 65.464,583 1.723,584 3.461,585 4.346,586 4.754,587 4.965,588 5.018,589 2.606,590 3.916,591 4.367,592 3.371,593 707.993,594 7.471,595 7859.1,596 1,597 1,600 199.421,601 1.322,602 4.328,603 0.136,604 0.009,605 0.087,606 0.051,607 0.028,608 0.018,609 0.016,610 0.011,611 0.009,612 0.008,613 0.373,614 0.5,615 1,616 1.256,617 96.373,618 0.04,619 -0.437,620 0.047,621 -0.164,622 0.035,623 -0.086,624 -0.162,625 0.255,626 -0.078,627 0.263,628 -0.072,629 0.143,630 -0.04,631 -0.053,632 -0.159,633 -0.233,634 -0.051,635 -0.23,636 0.107,637 -0.141,638 -0.034,639 -0.24,640 0.064,641 -0.181,642 -0.112,643 -0.05,644 0.029,645 -0.04,646 -0.011,647 0.032,648 -0.118,649 -0.05,650 -0.199,651 0.055,652 -0.212,653 -0.083,655 0.265,656 0.194,657 0.3,658 0.014,659 0.3,660 0.011,661 0.047,662 0.003,663 0.139,664 -0.081,665 0.072,666 1.209,667 2.645,668 0.524,669 15.515,670 1.021,671 1.148,672 0.446,673 0.198,674 0.631,675 3.135,676 3.367,677 3.611,678 3.807,679 3.829,680 3.664,681 3.664,682 3.714,683 3.784,684 3.807,685 5.761,686 0.616,687 291.35,688 3.135,689 4.615,690 5.434,691 6.275,692 7.114,693 7.961,694 8.806,695 9.654,696 10.501,697 11.351,698 13.2,706 1,707 2,708 2,715 6,720 2,721 3,722 11,726 2,741 38,743 13,745 22,747 39,748 13,749 8,752 2,756 2,757 2,772 10,773 3,777 2,784 2,785 2,789 1,790 1,793 17,794 5,795 2,796 8,799 1,802 5,803 2,808 1,809 3,822 1,828 1,829 1,857 2,858 1,859 2,864 1,868 21,875 2,876 2,878 1,893 7.9,897 1,898 2,901 11.167,902 6.833,903 5,904 1.933,907 2.482,908 1.394,909 0.887,910 5.71,911 8.786,912 3.418,913 3.946,914 4.49,915 5.015,916 5.269,917 5.201,918 5.334,919 5.462,920 5.7,921 6.028,922 1,923 28,924 7.611,926 2.994,927 0.026,929 7.968,931 14.173,933 10.602,936 2.468,937 51.833,941 176.567,942 95.474,943 32.192,945 96.611,948 95.474,949 273.178,950 32.192,951 8.396,952 8.327,953 37.476,954 82.305,955 134.857,956 58.856,957 70.627,959 176.567,960 127.666,961 96.611,964 176.567,965 85.611,966 11,968 59.901,969 45.873,970 21.893,972 176.567,973 128.803,974 95.474,977 176.567,978 13.412,979 87.759,981 123.106,982 176.567,983 128.803,984 95.474,986 0.546,987 0.33,988 0.19,989 0.096,990 11,991 5,992 0.154,993 6,995 1,996 3.377,997 145.691,999 11,1000 80.239,1005 15.466,1006 7.753,1007 4.024,1009 123.106,1010 10.987,1015 1.419,1016 5.397,1017 85.611,1018 400.844,1019 29.5,1026 2.672,1027 6.051,1031 38.793,1032 43.611,1034 0.328,1035 0.659,1036 0.828,1037 0.906,1038 0.946,1039 0.956,1040 4.593,1041 1,1042 5.371,1043 2.302,1044 4.043,1045 4.63,1046 2.733,1047 6.129,1048 3.895,1049 5.772,1050 0.856,1051 6.895,1052 1.743,1053 3.434,1054 4.227,1056 6.986,1057 3.194,1058 7.05,1059 0.205,1060 8.531,1061 1.557,1062 5.565,1063 6.771,1064 3.632,1065 10.074,1066 5.26,1067 8.372,1068 -0.128,1069 10.236,1070 0.42,1071 5.889,1072 7.321,1074 11.824,1075 5.483,1076 9.732,1077 -0.45,1078 11.985,1079 -0.228,1080 7.41,1081 9.23,1082 4.619,1083 14.382,1084 6.946,1085 11.119,1086 -0.811,1087 13.765,1088 -0.834,1089 8.165,1090 10.223,1092 16.457,1093 7.602,1094 12.528,1095 -0.9,1096 15.565,1097 -1.538,1098 9.433,1099 11.856,1100 5.644,1101 18.838,1102 8.807,1103 3.025,1104 -1,1105 17.378,1106 -1.909,1107 10.378,1108 13.056,1110 21.036,1111 9.657,1112 2.842,1113 10.003,1114 19.202,1115 -2.185,1116 11.541,1117 14.562,1118 6.687,1119 23.355,1120 10.75,1121 1.938,1122 9.03,1123 21.033,1124 4.086,1125 12.568,1126 15.859,1128 25.602,1129 11.686,1130 1.693,1131 5.43,1132 22.869,1133 3.84,1134 13.687,1135 17.307,1136 7.739,1137 27.899,1138 12.73,1139 1.529,1140 4.451,1141 24.709,1142 2.353,1143 14.75,1144 18.65,1146 30.168,1147 13.704,1148 1.493,1149 3.597,1150 26.552,1151 2.28,1152 15.852,1153 20.07,1154 8.793,1155 32.457,1156 14.727,1157 1.031,1158 3.116,1159 28.397,1160 2.129,1161 16.93,1162 21.437,1164 34.736,1165 15.718,1166 4357,1167 7987,1168 14.504,1169 23.96,1170 31.973,1171 35.414,1172 33.168,1173 31.233,1174 31.225,1175 41.741,1176 9.697,1177 83.297,1178 28.974,1179 5.279,1180 5.631,1181 6.243,1182 5.054,1183 5.025,1184 7.086,1185 3.394,1186 16.503,1187 4.712,1188 10.156,1189 1.453,1190 1.61,1191 1.508,1192 1.42,1193 1.419,1194 1.897,1195 0.441,1196 3.786,1197 1.317,1198 4.038,1199 4.099,1200 3.989,1201 3.841,1202 6.549,1203 3.865,1204 3.948,1205 3.999,1206 3.895,1207 3.786,1208 6.543,1209 3.811,1210 3.364,1211 3.42,1212 3.241,1213 3.086,1214 4.89,1215 3.108,1216 3.292,1217 3.349,1218 3.205,1219 3.051,1220 4.787,1221 3.078,1222 3.25,1223 3.316,1224 3.158,1225 2.953,1226 4.434,1227 2.988,1228 3.096,1229 3.193,1230 2.907,1231 2.854,1232 4.103,1233 2.85,1234 2.841,1235 2.935,1236 2.626,1237 2.627,1238 4.04,1239 2.614,1240 2.729,1241 2.799,1242 2.565,1243 2.484,1244 3.797,1245 2.489,1246 0.2,1247 0.165,1248 0.294,1249 0.179,1250 0.137,1251 4.399,1252 0.186,1253 3.631,1254 0.077,1255 6.47,1256 0.455,1257 3.941,1258 0.126,1259 3.025,1260 4.086,1261 1.697,1262 10.003,1263 2.769,1264 1.903,1265 1.861,1266 2.014,1267 2.072,1268 1.117,1269 2.056,1270 1.644,1271 1.58,1272 1.797,1273 1.908,1274 0.929,1275 1.875,1276 1.545,1277 1.479,1278 1.731,1279 1.784,1280 0.833,1281 1.775,1282 1.203,1283 1.147,1284 1.445,1285 1.495,1286 0.588,1287 1.466,1288 1.175,1289 1.117,1290 1.369,1291 1.475,1292 0.355,1293 1.442,1294 1.033,1295 0.944,1296 1.342,1297 1.366,1298 0.336,1299 1.354,1300 0.851,1301 0.759,1302 1.208,1303 1.122,1304 0.301,1305 1.162,1306 0.7,1307 0.62,1308 1.034,1309 0.977,1310 0.053,1311 0.997,1312 3.807,1314 5.056,1315 2.398,1316 6.506,1317 4.727,1318 8.052,1319 6.783,1320 9.648,1322 1.843,1327 17.261,1328 0.583,1330 5.619,1340 23.412,1341 65.464,1342 131.505,1343 165.157,1344 180.666,1345 188.666,1346 190.666,1347 29.655,1348 6.304,1349 87.1,1350 87.1,1351 11,1352 11.909,1353 3.807,1354 3.087,1355 39.382,1356 74,1357 64,1358 0.266,1359 149.08,1360 252.47,1361 355.515,1362 4124,1364 15.079,1365 0.718,1366 0.556,1367 15.079,1368 11.677,1369 10.258,1370 0.466,1371 0.291,1372 6.219,1373 9.489,1374 6.101,1375 5.13,1376 10.258,1377 6.407,1378 8.291,1379 0.296,1380 0.161,1381 8.291,1382 4.518,1383 6.827,1384 0.19,1385 0.088,1386 6.827,1387 3.155,1388 5.639,1389 0.128,1390 0.047,1391 5.639,1392 2.069,1393 4.13,1394 0.092,1395 0.027,1396 4.13,1397 1.195,1398 0.42,1399 66.976,1400 0.263,1401 21.078,1402 0.715,1403 100,1404 349.636,1405 115.054,1406 331.292,1407 434.54,1408 306,1409 114,1410 313.267,1411 130.472,1412 313.197,1413 435.92,1414 288,1415 4.42}
{0 CHEMBL538573,1 1.36,2 16.581,3 10.439,4 108.973,5 182.71,6 7.22,7 0.449,8 4.518,9 4.645,10 4.074,11 4.146,12 5.425,13 4.081,14 5.125,15 5.309,16 4.481,17 4.607,18 5.973,19 4.508,20 5.469,21 5.707,22 4.595,23 4.792,24 6.262,25 4.662,26 5.511,27 5.765,28 4.57,29 4.771,30 6.298,31 4.635,32 5.49,33 5.736,34 4.487,35 4.78,36 6.239,37 4.631,38 5.554,39 5.815,40 4.484,41 4.806,42 6.259,43 4.624,44 5.569,45 5.845,46 4.365,47 4.766,48 6.247,49 4.554,50 5.476,51 5.76,52 4.242,53 4.644,54 6.153,55 4.414,56 0.079,57 1.182,58 18.715,59 8.311,60 9.893,61 11.691,62 0.178,63 2.07,64 37.182,65 15.402,66 23.695,67 21.771,68 0.366,69 2.788,70 58.779,71 21.478,72 42.874,73 30.499,74 0.551,75 2.919,76 60.947,77 21.448,78 52.915,79 30.936,80 0.424,81 2.882,82 56.666,83 20.998,84 40.642,85 30.273,86 0.431,87 2.908,88 63.108,89 24.403,90 43.2,91 34.724,92 0.448,93 2.836,94 70.372,95 25.344,96 46.778,97 35.54,98 0.464,99 2.482,100 69.507,101 23.888,102 47.558,103 33.048,104 10,105 70,106 0.203,107 0.505,108 0.689,109 0.807,110 0.834,111 0.848,112 3.787,113 1.051,114 -7.55,115 -7.32,116 -6.76,121 43.5,122 1,123 12,124 2,127 2,137 1,138 1,144 6,145 4,146 4,148 4,176 21,180 8,185 6,187 32,192 6,197 6,200 21,206 8,209 2,211 11,214 25,219 1,224 5,227 22,232 3,237 6,239 35,244 2,251 30,256 2,260 1,264 31,269 2,277 21,281 3751,282 29.67,283 29.67,284 29.67,285 29.67,286 29.67,287 26.785,288 31.608,289 17.687,290 30.166,291 24.322,292 24.322,293 24.322,294 24.322,295 24.322,296 19.75,297 33.857,298 8.559,299 25.236,300 5.05,301 3.031,302 1.8,303 1.015,304 0.832,305 0.738,306 4.515,308 2,313 1621,314 4.062,318 684.112,320 124.254,322 671.255,324 192.371,325 2.08,326 24.775,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.67,335 1,336 0.59,337 88.667,338 713,339 4.686,340 3.508,341 6.986,342 4.303,343 3.319,344 4.594,345 0.68,346 11.934,347 3.265,348 4.651,349 3.373,350 6.833,351 4.214,352 3.235,353 4.582,354 0.4,355 11.364,356 3.165,357 4.143,358 3.064,359 6.24,360 3.826,361 2.84,362 3.624,363 0.4,364 9.32,365 2.801,366 3.99,367 2.943,368 6.004,369 3.58,370 2.61,371 3.534,373 8.477,374 2.532,375 3.814,376 2.858,377 5.569,378 3.416,379 2.452,380 3.131,382 7.471,383 2.369,384 3.584,385 2.562,386 5.427,387 3.202,388 2.252,389 2.961,391 6.886,392 2.167,393 3.568,394 2.547,395 5.39,396 3.192,397 2.229,398 2.925,400 6.847,401 2.103,402 3.406,403 2.457,404 5.126,405 3.015,406 2.084,407 2.725,409 6.137,410 1.93,411 3.365,412 2.272,413 4.899,414 2.904,415 1.987,416 2.699,418 5.573,419 1.846,420 3.012,421 2.146,422 4.836,423 2.869,424 1.914,425 2.045,427 5.357,428 1.773,429 2.921,430 1.964,431 4.666,432 2.818,433 1.84,434 1.933,436 4.874,437 1.703,438 2.869,439 1.87,440 4.121,441 2.658,442 1.686,443 1.893,445 3.83,446 1.599,447 2.709,448 1.681,449 4.049,450 2.532,451 1.552,452 1.754,454 3.476,455 1.512,456 2.623,457 1.488,458 3.977,459 2.426,460 1.435,461 1.651,463 3.367,464 1.415,465 2.495,466 1.434,467 3.838,468 2.25,469 1.262,470 1.494,472 3.157,473 1.246,474 21.529,475 0.501,476 0.986,477 0.023,478 49,479 1.14,480 22,481 0.512,482 27,483 0.628,484 53.962,485 1.255,486 45.671,487 0.537,488 33.771,489 0.785,490 7.986,491 0.186,492 13.044,493 0.303,494 0.09,496 0.348,501 0.726,502 1.166,503 0.686,504 0.941,505 0.649,506 0.935,507 0.74,508 1.194,509 0.727,510 0.988,511 0.565,512 0.986,513 0.962,514 1.108,515 0.855,516 0.961,517 0.886,518 0.948,519 0.894,520 1.041,521 0.777,522 0.921,523 0.764,524 0.932,525 1.063,526 1.027,527 0.819,528 0.946,529 0.924,530 1.023,531 0.623,532 1.051,533 0.779,534 1.027,535 0.671,536 1.057,537 0.97,538 0.97,539 1.034,540 1.043,541 1.045,542 1.069,543 1.053,544 0.901,545 1.194,546 1.056,547 1.139,548 1.046,549 7.5,550 0.161,551 3.778,552 3.438,553 2.893,554 1.431,555 0.986,556 0.665,557 0.369,558 0.271,559 39979,560 85740,561 2.195,562 49.4,563 21,564 11,567 2,568 4,569 4,572 1.811,573 2.098,574 3.871,575 0.022,582 115.571,583 1.36,584 3.378,585 4.609,586 5.395,587 5.577,588 5.671,589 3.109,590 5.147,591 5.408,592 4.163,593 3758.81,594 9.524,595 74989.2,600 544.798,601 1.253,602 5.377,603 0.153,604 0.005,605 0.054,606 0.045,607 0.04,608 0.022,609 0.016,610 0.013,611 0.009,612 0.008,613 0.364,614 0.33,615 0.63,616 0.394,617 253.303,618 -0.007,619 -0.002,620 0.033,621 0.041,622 0.041,623 0.054,624 0.021,625 -0.1,626 0.038,627 -0.015,628 0.16,629 -0.002,630 -0.013,631 -0.067,632 0.019,633 0.002,634 0.023,635 0.025,636 0.103,637 0.014,638 0.042,639 0.012,640 0.118,641 0.021,642 -0.148,643 0.045,644 -0.066,645 -0.019,646 -0.138,647 -0.072,648 0.08,649 -0.067,650 0.02,651 -0.057,652 0.038,653 -0.068,654 -0.076,655 -0.021,656 -0.061,657 -0.051,658 -0.124,659 -0.073,660 -0.04,661 0.007,662 -0.061,663 -0.034,664 -0.077,665 -0.037,666 0.91,667 2.271,668 0.721,669 48.553,670 0.985,671 1.12,672 6.316,673 39.897,674 0.682,675 3.912,676 4.263,677 4.585,678 4.949,679 5.278,680 5.455,681 5.628,682 5.814,683 5.889,684 5.911,685 10.25,686 0.627,687 613.73,688 3.912,689 5.476,690 6.351,691 7.256,692 8.153,693 9.07,694 9.977,695 10.899,696 11.811,697 12.737,698 4.7,703 2,708 2,714 4,715 6,716 2,720 8,722 22,734 2,740 2,741 85,743 23,744 2,745 49,747 91,748 37,749 18,750 6,751 6,756 7,757 16,758 2,763 1,767 7,768 2,770 12,772 20,773 17,774 2,777 1,784 1,786 1,793 42,794 4,795 2,796 6,797 2,802 4,808 0.286,822 2,829 7,831 1,833 4,835 1,849 1,850 1,859 2,864 1,865 2,868 43,876 14,877 2,880 2,892 2,901 20.5,902 15.436,903 9.25,904 5.98,907 5.067,908 1.522,909 1.027,910 8.738,911 14.772,912 4.127,913 4.762,914 5.394,915 6.054,916 6.698,917 7.114,918 7.529,919 7.958,920 8.287,921 8.358,922 1,923 76,924 16.008,926 6.943,927 0.026,929 7.373,931 32.296,933 28.484,936 1.873,937 80.556,941 470.844,942 146.804,943 69.593,944 78.297,948 146.804,949 549.141,950 69.593,951 8.825,952 34.626,953 66.334,954 69.593,955 37.019,957 470.844,958 78.297,959 470.844,960 216.396,962 78.297,964 423.76,965 47.084,968 53.253,969 84.075,970 157.366,972 470.844,973 69.593,974 225.101,977 470.844,978 71.645,979 75.159,980 36.022,981 111.868,982 470.844,983 69.593,984 225.101,986 0.581,987 0.338,988 0.201,989 0.121,990 36,991 15,992 0.11,993 10,994 6,995 1.355,996 5.348,997 453.922,998 0.387,999 30,1000 231.329,1005 29.23,1006 12.854,1007 6.222,1008 4.463,1009 69.593,1010 12.335,1011 10.094,1015 9.56,1017 36.022,1018 765.538,1019 61,1026 2.481,1028 1.532,1031 83.727,1032 95.185,1034 0.212,1035 0.527,1036 0.719,1037 0.842,1038 0.87,1039 0.885,1040 5.396,1041 2.084,1042 6.337,1043 6.847,1044 4.949,1045 5.451,1046 0.942,1047 7.185,1048 4.882,1049 6.602,1050 1.987,1051 7.907,1052 6.137,1053 4.511,1054 5.366,1056 8.129,1057 4.385,1058 7.924,1059 1.914,1060 9.579,1061 5.573,1062 6.564,1063 7.715,1064 0.425,1065 11.303,1066 6.454,1067 9.283,1068 1.84,1069 11.315,1070 5.357,1071 6.957,1072 8.481,1074 13.12,1075 6.812,1076 10.678,1077 1.686,1078 13.093,1079 4.874,1080 8.473,1081 10.325,1082 0.194,1083 15.817,1084 8.332,1085 12.1,1086 1.552,1087 14.902,1088 3.83,1089 9.282,1090 11.492,1092 18.007,1093 9.118,1094 13.542,1095 1.435,1096 16.733,1097 3.476,1098 10.58,1099 13.138,1100 0.09,1101 20.543,1102 10.412,1103 3.319,1104 1.262,1105 18.583,1106 3.367,1107 11.591,1108 14.496,1110 22.889,1111 11.405,1112 3.235,1113 11.934,1114 20.447,1115 3.157,1116 12.807,1117 16.064,1118 0.042,1119 25.371,1120 12.609,1121 2.84,1122 11.364,1123 22.322,1124 4.594,1125 13.911,1126 17.511,1128 27.783,1129 13.697,1130 2.61,1131 9.32,1132 24.206,1133 4.582,1134 15.098,1135 19.048,1136 0.019,1137 30.249,1138 14.87,1139 2.452,1140 8.477,1141 26.098,1142 3.624,1143 16.245,1144 20.535,1146 32.688,1147 16,1148 2.252,1149 7.471,1150 27.997,1151 3.534,1152 17.425,1153 22.062,1154 0.009,1155 35.15,1156 17.164,1157 2.229,1158 6.886,1159 29.901,1160 3.131,1161 18.592,1162 23.568,1164 37.602,1165 18.313,1166 35783,1167 52659,1168 33.808,1169 57.967,1170 73.441,1171 74.327,1172 75.248,1173 73.568,1174 73.196,1175 91.902,1176 2.96,1177 214.745,1178 70.379,1179 5.651,1180 5.508,1181 6.893,1182 5.345,1183 5.319,1184 7.594,1185 1.36,1186 19.51,1187 5.265,1188 16.608,1189 1.499,1190 1.517,1191 1.536,1192 1.501,1193 1.494,1194 1.876,1195 0.06,1196 4.383,1197 1.436,1198 4.158,1199 4.188,1200 4.156,1201 4.089,1202 5.055,1203 4.091,1204 4.098,1205 4.125,1206 4.11,1207 4.032,1208 5.021,1209 4.035,1210 3.874,1211 3.908,1212 3.867,1213 3.813,1214 4.698,1215 3.802,1216 3.768,1217 3.833,1218 3.778,1219 3.664,1220 4.684,1221 3.649,1222 3.736,1223 3.78,1224 3.622,1225 3.637,1226 4.431,1227 3.619,1228 3.571,1229 3.646,1230 3.569,1231 3.423,1232 4.281,1233 3.416,1234 3.462,1235 3.511,1236 3.428,1237 3.357,1238 4.221,1239 3.345,1240 3.337,1241 3.412,1242 3.336,1243 3.195,1244 4.152,1245 3.185,1246 0.096,1247 0.072,1248 0.143,1249 0.088,1250 0.068,1251 4.686,1252 0.094,1253 3.508,1254 0.014,1255 6.986,1256 0.244,1257 4.303,1258 0.067,1259 3.319,1260 4.594,1261 0.68,1262 11.934,1263 3.265,1264 2.098,1265 2.073,1266 2.188,1267 2.182,1268 1.536,1269 2.186,1270 2.07,1271 2.047,1272 2.149,1273 2.158,1274 1.437,1275 2.159,1276 1.881,1277 1.851,1278 2.033,1279 1.974,1280 1.386,1281 1.995,1282 1.778,1283 1.717,1284 1.993,1285 1.937,1286 1.199,1287 1.967,1288 1.75,1289 1.708,1290 1.926,1291 1.863,1292 1.158,1293 1.892,1294 1.567,1295 1.497,1296 1.827,1297 1.768,1298 1.114,1299 1.793,1300 1.463,1301 1.416,1302 1.691,1303 1.605,1304 0.918,1305 1.637,1306 1.321,1307 1.258,1308 1.574,1309 1.539,1310 0.822,1311 1.558,1312 4.595,1314 5.938,1316 7.487,1318 9.15,1320 10.877,1322 2.296,1323 12.683,1328 16.206,1329 7.711,1332 1.195,1340 53.277,1341 115.571,1342 287.172,1343 391.779,1344 458.534,1345 474.043,1346 482.043,1347 66.409,1348 9.705,1349 49.84,1350 49.84,1351 42,1352 13.245,1353 4.585,1354 3.7,1355 58.748,1356 279,1357 214,1358 0.1,1359 325.575,1360 563.92,1361 786.163,1362 356525,1363 2.4,1364 29.338,1365 0.682,1366 0.622,1367 30.338,1368 26.758,1369 21.03,1370 0.429,1371 0.35,1372 16.403,1373 20.154,1374 15.948,1375 13.141,1376 21.607,1377 17.169,1378 19.256,1379 0.275,1380 0.199,1381 20.072,1382 13.897,1383 16.306,1384 0.168,1385 0.106,1386 16.831,1387 10.257,1388 14.898,1389 0.106,1390 0.059,1391 15.367,1392 8.216,1393 12.963,1394 0.066,1395 0.032,1396 13.426,1397 6.333,1398 0.166,1399 134.256,1400 0.172,1401 38.78,1402 0.255,1403 238,1404 494.363,1405 276.588,1406 557.752,1407 775.79,1408 526,1409 286,1410 549.74,1411 314.177,1412 583.25,1413 866.42,1414 555,1415 9.481}
{0 CHEMBL538852,1 1.574,2 7.857,3 0.099,4 0.01,5 75.498,6 6.938,7 0.261,8 3.844,9 3.975,10 3.356,11 3.277,12 4.88,13 3.266,14 4.457,15 4.656,16 3.82,17 3.75,18 5.51,19 3.734,20 4.741,21 4.917,22 3.92,23 3.989,24 5.797,25 3.934,26 4.924,27 5.166,28 3.817,29 4.037,30 5.905,31 3.937,32 4.846,33 5.087,34 3.55,35 3.91,36 5.839,37 3.753,38 4.747,39 5.063,40 3.274,41 3.596,42 5.579,43 3.424,44 4.225,45 4.475,46 3.118,47 3.164,48 5.301,49 3.074,50 3.999,51 4.225,52 2.909,53 2.925,54 5.174,55 2.883,56 0.08,57 0.623,58 9.811,59 3.574,60 6.862,61 5.251,62 0.433,63 1.02,64 19.684,65 6.073,66 35.364,67 9.101,68 0.359,69 1.291,70 25.945,71 8.736,72 50.313,73 12.539,74 0.506,75 1.397,76 32.461,77 9.788,78 55.675,79 14.806,80 0.389,81 1.219,82 29.76,83 10.016,84 60.085,85 14.754,86 0.505,87 0.92,88 28.74,89 8.178,90 56.63,91 12.742,92 0.402,93 0.598,94 16.661,95 4.576,96 39.496,97 6.965,98 0.373,99 0.489,100 13.46,101 2.888,102 39.111,103 4.545,104 40,105 37,106 0.282,107 0.62,108 0.822,109 0.867,110 0.867,111 0.867,112 3.105,113 0.946,114 0.14,115 -0.02,116 -0.23,121 35.7,122 1,123 1,125 1,126 3,127 1,130 1,144 3,145 1,146 2,161 1,176 5,178 1,179 1,180 5,182 1,183 2,187 6,189 2,192 6,193 1,200 5,201 2,203 2,206 3,211 2,214 3,215 2,216 2,218 1,219 4,224 2,227 2,228 2,229 1,232 1,234 1,237 1,240 1,243 1,244 2,245 1,247 1,249 2,258 1,263 1,270 1,275 1,281 496,282 13.444,283 13.444,284 13.444,285 13.444,286 13.444,287 12.628,288 22.122,289 7.331,290 13.832,291 11.223,292 11.223,293 11.223,294 11.223,295 11.223,296 9.833,297 30.222,298 3.367,299 11.806,300 3.818,301 1.928,302 0.804,303 0.548,304 0.548,305 0.548,306 3.769,311 1,312 1,313 349,314 3.674,317 70.322,318 41.942,320 57.057,321 62.509,324 86.926,325 1.224,326 23.97,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 46.5,338 165,339 4.909,340 4.105,341 8.167,342 4.808,343 3.842,344 4.228,345 2.186,346 15.951,347 3.722,348 4.191,349 3.66,350 7.028,351 3.989,352 3.039,353 3.47,354 1.181,355 11.413,356 2.876,357 3.833,358 3.347,359 6.179,360 3.557,361 2.607,362 3.04,363 0.792,364 8.753,365 2.477,366 3.631,367 2.747,368 5.634,369 3.391,370 2.454,371 2.764,372 0.366,373 7.43,374 2.276,375 3.393,376 2.603,377 5.365,378 3.027,379 2.062,380 2.577,382 6.053,383 1.97,384 2.822,385 1.884,386 4.739,387 2.562,388 1.606,389 1.874,391 5.009,392 1.529,393 2.519,394 1.186,395 4.344,396 2.136,397 1.143,398 1.525,400 3.089,401 1.134,402 1.819,403 1.106,404 3.781,405 1.739,406 0.768,407 0.8,409 1.929,410 0.743,411 1.509,412 0.924,413 3.156,414 1.308,415 0.395,416 0.419,418 0.611,419 0.357,420 1.24,421 0.667,422 3,423 0.881,424 -0.088,425 -0.099,427 -0.214,428 -0.084,429 0.858,430 0.09,431 2.951,432 0.723,433 -0.23,434 -0.261,436 -0.589,437 -0.217,438 0.681,439 -0.17,440 2.784,441 0.31,442 -0.677,443 -0.833,445 -1.881,446 -0.661,447 0.53,448 -0.587,449 2.359,450 0.083,451 -0.908,452 -1,454 -2.685,455 -0.893,457 -0.65,458 2.283,459 -0.022,460 -1,461 -1,463 -3,464 -0.934,466 -0.823,467 2.167,468 -0.063,469 -1,470 -1.234,472 -3.083,473 -0.975,474 9.7,475 0.462,476 0.879,477 0.042,478 23,479 1.095,480 8.5,481 0.405,482 14.5,483 0.69,484 19.94,485 0.95,486 24.5,487 0.583,488 17.269,489 0.822,490 4.501,491 0.214,492 5.291,493 0.252,494 0.275,495 0.093,496 0.299,501 0.667,502 1.659,503 0.819,504 1.32,505 0.565,506 1.125,507 0.748,508 0.804,509 0.737,510 0.719,511 0.521,512 0.698,513 1.138,514 1.348,515 1.099,516 1.246,517 1.167,518 1.185,519 1.085,520 0.953,521 1.101,522 0.995,523 0.88,524 1.031,525 0.86,526 1.248,527 1.163,528 1.377,529 1.045,530 1.348,531 0.858,532 0.726,533 0.745,534 0.765,535 0.746,536 0.748,537 1.019,538 1.05,539 0.911,540 1.027,541 0.929,542 0.974,543 1.879,544 0.905,545 1.338,546 0.853,547 2.129,548 0.969,549 7,551 4,552 3.771,553 1.531,554 0.757,555 0.568,556 0.328,557 0.217,558 0.065,559 3582,560 9781,561 1.968,562 50,563 3,564 14,565 1,567 1,569 2,572 1.636,573 1.75,574 2.91,575 -0.244,577 1,582 66.126,583 1.574,584 3.464,585 4.588,586 4.844,587 4.844,588 4.844,589 2.453,590 4.202,591 4.359,592 3.056,593 641.72,594 7.495,595 6423.33,597 1,600 226.477,601 1.884,602 4.251,603 0.304,605 0.108,606 0.097,607 0.045,608 0.033,609 0.032,610 0.022,611 0.018,612 0.009,613 0.668,614 0.83,615 1,616 1.353,617 91.968,618 0.071,619 -0.309,620 0.081,621 -0.13,622 -0.05,623 -0.044,624 0.163,625 0.401,626 0.225,627 0.317,628 0.155,629 0.299,630 -0.128,631 -0.21,632 -0.148,633 -0.145,634 -0.114,635 -0.157,636 -0.171,637 0.078,638 -0.139,639 -0.002,640 -0.03,641 -0.048,642 -0.036,643 -0.278,644 -0.229,645 -0.337,646 -0.095,647 -0.327,648 0.052,649 0.038,650 0.242,651 0.142,652 0.004,653 0.216,654 0.182,655 -0.166,656 0.107,657 -0.095,658 0.077,659 -0.029,660 -0.271,661 0.067,662 -0.251,663 -0.015,664 -0.289,665 -0.119,666 2.154,667 5.709,668 0.571,669 14.671,670 1.006,671 1.14,672 -1.369,673 1.874,674 0.625,675 3.178,676 3.638,677 3.97,678 4.344,679 4.554,680 4.654,681 4.86,682 4.92,683 4.828,684 4.754,685 4.659,686 0.594,687 291.39,688 3.178,689 4.796,690 5.7,691 6.668,692 7.602,693 8.578,694 9.528,695 10.507,696 11.465,697 12.446,698 7.1,704 1,705 1,712 1,715 3,720 3,722 6,736 1,737 1,741 42,743 7,744 1,745 23,747 44,748 15,749 6,750 3,751 3,756 3,757 6,763 1,764 1,766 1,767 1,770 1,772 7,773 8,777 1,782 1,786 1,789 1,790 1,793 21,794 5,795 1,796 6,802 3,803 1,807 1,808 0.333,809 3,825 1,828 2,829 1,831 1,832 1,835 1,859 1,864 4,868 21,876 2,877 1,878 1,880 1,881 1,882 1,883 1,893 7.1,896 1,898 1,900 1,901 12,902 8.76,903 4.417,904 2.526,907 1.318,908 1.188,909 0.903,910 3.116,911 8.338,912 3.332,913 3.922,914 4.422,915 4.972,916 5.46,917 5.727,918 6.105,919 6.356,920 6.401,921 6.363,922 1,923 39,924 7.824,926 3.448,927 0.026,929 7.869,931 14.888,933 12.766,936 2.369,937 49.75,941 235.422,942 85.032,943 21.135,945 62.981,948 85.032,949 298.403,950 21.135,951 34.014,952 49.487,953 28.429,954 25.145,955 25.31,956 18.534,957 223.651,959 235.422,960 106.167,961 62.981,964 238.716,965 59.687,968 31.476,969 74.69,972 235.422,973 84.116,974 85.032,977 235.422,978 22.588,979 65.567,980 18.011,981 62.981,982 235.422,983 84.116,984 85.032,986 0.615,987 0.371,988 0.2,989 0.108,990 21,991 10,992 0.045,993 2,994 2,995 1.333,996 3.074,997 175.487,998 0.333,999 12,1000 92.239,1005 14.481,1006 4.519,1007 1.987,1009 84.116,1010 5.591,1015 2.649,1017 18.011,1018 404.57,1019 27,1024 11.36,1028 -0.487,1031 42.24,1032 47.86,1034 0.292,1035 0.642,1036 0.851,1037 0.898,1038 0.898,1039 0.898,1040 4.687,1041 0.768,1042 5.82,1043 3.089,1044 4.317,1045 4.605,1046 2.525,1047 6.849,1048 4.225,1049 5.951,1050 0.395,1051 7.533,1052 1.929,1053 4.443,1054 4.732,1055 2.026,1056 8.453,1057 4.312,1058 7.338,1059 -0.088,1060 9.366,1061 0.611,1062 6.213,1063 6.755,1064 3.568,1065 11.603,1066 6.04,1067 8.758,1068 -0.23,1069 11.271,1070 -0.214,1071 7.091,1072 7.584,1073 3.654,1074 13.985,1075 6.888,1076 10.211,1077 -0.677,1078 13.223,1079 -0.589,1080 8.502,1081 9.23,1082 4.928,1083 16.829,1084 8.267,1085 11.688,1086 -0.908,1087 15.208,1088 -1.881,1089 9.665,1090 10.361,1091 5.305,1092 19.469,1093 9.404,1094 13.185,1095 -1,1096 17.218,1097 -2.685,1098 10.995,1099 11.88,1100 6.394,1101 22.247,1102 10.706,1103 3.842,1104 -1,1105 19.245,1106 -3,1107 12.265,1108 13.157,1109 6.935,1110 24.971,1111 11.949,1112 3.039,1113 15.951,1114 21.287,1115 -3.083,1116 13.587,1117 14.627,1118 7.904,1119 27.737,1120 13.244,1121 2.607,1122 11.413,1123 23.339,1124 4.228,1125 14.897,1126 15.979,1127 8.54,1128 30.489,1129 14.526,1130 2.454,1131 8.753,1132 25.401,1133 3.47,1134 16.225,1135 17.43,1136 9.436,1137 33.254,1138 15.826,1139 2.062,1140 7.43,1141 27.469,1142 3.04,1143 17.553,1144 18.822,1145 10.13,1146 36.016,1147 17.125,1148 1.606,1149 6.053,1150 29.543,1151 2.764,1152 18.887,1153 20.265,1154 10.982,1155 38.783,1156 18.43,1157 1.143,1158 5.009,1159 31.621,1160 2.577,1161 20.223,1162 21.678,1163 11.71,1164 41.549,1165 19.736,1166 3672,1167 6124,1168 14.216,1169 26.233,1170 36.251,1171 37.238,1172 38.996,1173 35.817,1174 35.832,1175 41.392,1176 9.05,1177 120.475,1178 34.168,1179 5.873,1180 6.105,1181 7.718,1182 5.873,1183 5.842,1184 7.228,1185 3.889,1186 24.922,1187 5.722,1188 13.252,1189 1.576,1190 1.619,1191 1.695,1192 1.557,1193 1.558,1194 1.8,1195 0.393,1196 5.238,1197 1.486,1198 4.115,1199 4.157,1200 4.061,1201 4.004,1202 7.435,1203 4.012,1204 3.756,1205 3.795,1206 3.684,1207 3.593,1208 7.236,1209 3.604,1210 3.528,1211 3.591,1212 3.442,1213 3.214,1214 4.827,1215 3.26,1216 3.3,1217 3.39,1218 3.133,1219 3.087,1220 4.405,1221 3.084,1222 3.291,1223 3.381,1224 3.113,1225 3.057,1226 4.186,1227 3.058,1228 2.981,1229 3.096,1230 2.77,1231 2.768,1232 4.015,1233 2.736,1234 2.969,1235 3.014,1236 2.691,1237 2.697,1238 3.854,1239 2.699,1240 2.775,1241 2.849,1242 2.583,1243 2.611,1244 3.789,1245 2.599,1246 0.213,1247 0.178,1248 0.355,1249 0.209,1250 0.167,1251 4.909,1252 0.184,1253 4.105,1254 0.095,1255 8.167,1256 0.694,1257 4.808,1258 0.162,1259 3.842,1260 4.228,1261 2.186,1262 15.951,1263 3.722,1264 1.903,1265 1.884,1266 2.005,1267 2.001,1268 1.31,1269 1.998,1270 1.661,1271 1.598,1272 1.854,1273 1.932,1274 1.154,1275 1.91,1276 1.59,1277 1.523,1278 1.822,1279 1.783,1280 1.025,1281 1.799,1282 1.402,1283 1.33,1284 1.69,1285 1.728,1286 0.683,1287 1.715,1288 1.227,1289 1.131,1290 1.58,1291 1.496,1292 0.646,1293 1.528,1294 1.017,1295 0.904,1296 1.454,1297 1.292,1298 0.57,1299 1.355,1300 0.878,1301 0.833,1302 1.185,1303 1.209,1304 0.353,1305 1.176,1306 0.798,1307 0.727,1308 1.084,1309 1.053,1310 0.153,1311 1.103,1312 3.85,1314 5.273,1315 3.045,1316 6.891,1317 5.687,1318 8.604,1319 8.009,1320 10.377,1322 7.358,1328 1.434,1329 2.434,1330 5.218,1332 -0.122,1333 2.068,1334 -0.206,1335 -0.257,1340 24.95,1341 66.126,1342 145.481,1343 192.703,1344 203.458,1345 203.458,1346 203.458,1347 42.458,1348 7.02,1349 58.64,1350 58.64,1351 16,1352 12.92,1353 3,1354 2.322,1355 32.076,1356 58,1357 70,1358 0.291,1359 153.137,1360 268.89,1361 365.415,1362 8369,1364 15.414,1365 0.734,1366 0.613,1367 15.414,1368 12.865,1369 9.793,1370 0.426,1371 0.315,1372 7.098,1373 9.231,1374 6.807,1375 5.648,1376 9.793,1377 7.253,1378 10.03,1379 0.271,1380 0.176,1381 10.03,1382 6.527,1383 8.354,1384 0.161,1385 0.098,1386 8.354,1387 5.072,1388 7.389,1389 0.097,1390 0.055,1391 7.389,1392 4.196,1393 5.763,1394 0.061,1395 0.03,1396 5.763,1397 2.829,1398 0.433,1399 62.651,1400 0.265,1401 20.071,1402 0.875,1403 120,1404 353.755,1405 135.821,1406 329.361,1407 442.35,1408 306,1409 149,1410 324.338,1411 165.91,1412 322.492,1413 479.38,1414 301,1415 7}
{0 CHEMBL538853,1 1.533,2 10.346,3 1.676,4 2.808,5 95.276,6 7.213,7 0.414,8 4,9 4.121,10 3.551,11 3.504,12 5.059,13 3.489,14 4.585,15 4.76,16 3.998,17 3.96,18 5.662,19 3.935,20 4.894,21 5.073,22 4.072,23 4.163,24 5.935,25 4.102,26 5.041,27 5.285,28 3.995,29 4.172,30 6.032,31 4.076,32 4.978,33 5.21,34 3.777,35 4.029,36 6.045,37 3.907,38 4.844,39 5.136,40 3.563,41 3.763,42 5.774,43 3.642,44 4.361,45 4.562,46 3.469,47 3.516,48 5.505,49 3.454,50 4.303,51 4.507,52 3.371,53 3.472,54 5.438,55 3.411,56 0.07,57 0.727,58 10.641,59 4.424,60 7.421,61 5.99,62 0.38,63 1.217,64 20.986,65 7.493,66 34.71,67 10.43,68 0.349,69 1.554,70 29.197,71 10.445,72 52.42,73 14.231,74 0.389,75 1.688,76 35.806,77 11.727,78 50.936,79 16.933,80 0.456,81 1.457,82 34.198,83 11.695,84 76.644,85 16.073,86 0.545,87 1.158,88 32.288,89 9.975,90 67.457,91 14.245,92 0.4,93 0.82,94 18.156,95 6.136,96 42.838,97 8.241,98 0.361,99 0.803,100 17.114,101 5.308,102 41.482,103 7.207,104 26,105 45,106 0.261,107 0.596,108 0.775,109 0.844,110 0.863,111 0.863,112 3.305,113 0.922,114 -1.07,115 -1.17,116 -1.25,121 40.8,122 1,123 1,125 1,126 2,127 1,130 1,144 8,145 1,146 3,161 1,176 9,178 1,179 1,180 5,182 1,183 2,185 2,187 10,189 2,192 6,193 1,197 2,200 7,201 2,203 2,206 7,211 3,214 3,215 2,216 2,218 1,219 8,224 2,227 2,228 2,229 1,232 3,234 1,237 1,239 4,240 1,243 1,244 2,245 1,247 1,249 2,251 8,258 1,263 1,264 8,269 2,270 1,275 1,277 8,281 886,282 17.004,283 17.004,284 17.004,285 17.004,286 17.004,287 15.437,288 25.284,289 9.633,290 17.368,291 14.295,292 14.295,293 14.295,294 14.295,295 14.295,296 11.911,297 37.722,298 4.582,299 14.897,300 4.081,301 2.108,302 1.057,303 0.648,304 0.536,305 0.536,306 3.993,310 1,311 1,312 1,313 590,314 3.742,317 97.999,318 140.369,320 79.298,321 84.708,324 118.496,325 1.55,326 26.833,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 56.5,338 269,339 4.909,340 4.105,341 8.167,342 4.808,343 3.842,344 4.228,345 2.186,346 15.951,347 3.722,348 4.192,349 3.677,350 7.028,351 3.989,352 3.039,353 3.499,354 1.181,355 11.413,356 2.876,357 3.976,358 3.347,359 6.179,360 3.627,361 2.679,362 3.446,363 0.792,364 8.754,365 2.536,366 3.778,367 2.749,368 5.648,369 3.501,370 2.532,371 3.02,372 0.366,373 7.667,374 2.45,375 3.607,376 2.635,377 5.507,378 3.318,379 2.377,380 2.757,382 7.054,383 2.22,384 3.357,385 2.507,386 5.261,387 2.948,388 1.971,389 2.56,391 5.93,392 1.906,393 2.865,394 1.884,395 4.636,396 2.566,397 1.607,398 1.994,400 4.862,401 1.534,402 2.806,403 1.519,404 4.343,405 2.371,406 1.379,407 1.864,409 3.089,410 1.363,411 2.519,412 1.186,413 3.782,414 2.136,415 1.142,416 1.523,418 2.991,419 1.134,420 2.5,421 1,422 3.57,423 2,424 1,425 1.5,427 2.136,428 1,429 1.817,430 0.938,431 3.247,432 1.736,433 0.763,434 0.797,436 1.926,437 0.74,438 1.267,439 0.75,440 3.156,441 0.986,442 0.068,443 0.077,445 0.189,446 0.062,447 1.17,448 0.351,449 3,450 0.795,451 -0.166,452 -0.175,454 -0.459,455 -0.157,456 0.858,457 0.086,458 2.957,459 0.7,460 -0.283,461 -0.359,463 -0.681,464 -0.274,465 0.684,466 -0.216,467 2.798,468 0.31,469 -0.676,470 -0.838,472 -1.881,473 -0.659,474 12.2,475 0.469,476 0.948,477 0.036,478 32.5,479 1.25,480 15,481 0.577,482 17.5,483 0.673,484 23.237,485 0.894,486 28.6,487 0.584,488 24.625,489 0.947,490 6.338,491 0.244,492 5.972,493 0.23,494 0.178,495 0.074,496 0.279,501 0.656,502 1.426,503 0.784,504 1.149,505 0.567,506 1.009,507 0.72,508 0.936,509 0.773,510 0.836,511 0.53,512 0.799,513 1.187,514 1.296,515 1.128,516 1.183,517 1.193,518 1.155,519 0.999,520 0.994,521 1.021,522 1.018,523 0.763,524 1.004,525 1.257,526 1.124,527 1.182,528 1.217,529 1.394,530 1.202,531 1.228,532 0.633,533 0.775,534 0.648,535 1.065,536 0.649,537 1.242,538 0.989,539 1.006,540 0.979,541 1.142,542 0.973,543 1.567,544 0.857,545 1.21,546 0.861,547 1.809,548 0.956,549 7.5,550 0.167,551 4,552 4.083,553 1.682,554 0.875,555 0.627,556 0.3,557 0.324,558 0.211,559 7914,560 19582,561 2.059,562 46.9,563 3,564 16,565 1,567 1,569 2,572 1.689,573 1.88,574 3.294,575 -0.332,576 1,577 1,582 75.131,583 1.533,584 3.506,585 4.558,586 4.966,587 5.079,588 5.079,589 2.724,590 4.104,591 4.671,592 3.478,593 1130.32,594 8.085,595 13776.9,597 1,599 1,600 275.121,601 1.767,602 4.594,603 0.259,604 0.009,605 0.089,606 0.089,607 0.041,608 0.029,609 0.024,610 0.013,611 0.015,612 0.01,613 0.577,614 0.67,615 1,616 0.638,617 126.25,618 0.078,619 -0.192,620 0.078,621 -0.067,622 -0.052,623 -0.012,624 0.192,625 0.228,626 0.157,627 0.17,628 0.153,629 0.165,630 -0.13,631 -0.222,632 -0.18,633 -0.172,634 -0.135,635 -0.188,636 -0.091,637 0.015,638 -0.045,639 -0.062,640 0.057,641 -0.036,642 -0.096,643 -0.206,644 -0.18,645 -0.238,646 -0.117,647 -0.228,648 -0.017,649 0.172,650 0.289,651 0.287,652 -0.023,653 0.331,654 0.103,655 -0.023,656 0.008,657 0.004,658 0.007,659 -0.017,660 -0.199,661 0.18,662 -0.192,663 0.081,664 -0.264,665 -0.037,666 2.194,667 5.866,668 0.692,669 22.237,670 1.003,671 1.128,672 -0.159,673 0.025,674 0.653,675 3.401,676 3.829,677 4.143,678 4.511,679 4.71,680 4.779,681 4.977,682 5.056,683 5.043,684 5.1,685 6.099,686 0.622,687 353.46,688 3.401,689 5.004,690 5.894,691 6.843,692 7.759,693 8.718,694 9.651,695 10.615,696 11.56,697 12.529,698 6.1,704 1,705 1,712 1,715 8,720 4,722 12,736 1,737 1,741 49,743 13,744 2,745 29,747 52,748 20,749 12,750 4,751 8,756 4,757 7,763 1,764 1,766 1,767 1,770 1,772 13,773 7,777 1,782 1,786 1,789 1,790 1,793 23,794 5,795 1,796 6,802 3,803 1,807 1,808 0.5,809 3,825 1,828 2,829 2,831 1,832 1,835 1,859 2,864 3,868 26,876 2,877 1,878 1,880 1,881 1,882 1,883 1,893 6.1,896 1,898 1,900 1,901 13.833,902 9.676,903 5.417,904 2.95,907 2.111,908 1.276,909 0.943,910 3.9,911 9.762,912 3.611,913 4.205,914 4.71,915 5.273,916 5.75,917 5.903,918 6.268,919 6.55,920 6.672,921 6.866,922 0.857,923 46,924 9.685,926 4.296,927 0.026,929 7.785,931 18.491,933 15.904,936 2.285,937 59.417,941 258.964,942 126.773,943 21.135,945 62.981,948 126.773,949 321.945,950 21.135,951 25.618,952 49.487,953 75.81,954 25.145,955 28.067,956 18.534,957 247.193,959 258.964,960 147.908,961 62.981,964 262.258,965 59.687,968 31.476,969 116.432,972 258.964,973 84.116,974 126.773,977 258.964,978 25.345,979 104.552,980 18.011,981 62.981,982 258.964,983 84.116,984 126.773,986 0.607,987 0.357,988 0.203,989 0.107,990 25,991 11,992 0.058,993 3,994 2,995 1.222,996 3.685,997 232.506,998 0.222,999 18,1000 118.211,1005 17.194,1006 5.897,1007 2.754,1009 84.116,1010 14.798,1015 3.279,1017 18.011,1018 469.853,1019 36,1024 12.16,1028 -0.528,1031 49.123,1032 55.275,1034 0.273,1035 0.625,1036 0.812,1037 0.885,1038 0.905,1039 0.905,1040 4.927,1041 1.379,1042 5.979,1043 4.862,1044 4.511,1045 4.89,1046 2.525,1047 6.963,1048 4.43,1049 6.173,1050 1.142,1051 7.656,1052 3.089,1053 4.511,1054 4.844,1055 2.026,1056 8.487,1057 4.382,1058 7.532,1059 1,1060 9.458,1061 2.991,1062 6.34,1063 7.025,1064 3.568,1065 11.639,1066 6.179,1067 8.927,1068 0.763,1069 11.338,1070 2.136,1071 7.14,1072 7.7,1073 3.654,1074 13.997,1075 6.939,1076 10.358,1077 0.068,1078 13.272,1079 1.926,1080 8.573,1081 9.459,1082 4.928,1083 16.838,1084 8.344,1085 11.814,1086 -0.166,1087 15.244,1088 0.189,1089 9.697,1090 10.472,1091 5.305,1092 19.473,1093 9.437,1094 13.293,1095 -0.283,1096 17.243,1097 -0.459,1098 11.032,1099 12.058,1100 6.394,1101 22.249,1102 10.745,1103 3.842,1104 -0.676,1105 19.263,1106 -0.681,1107 12.284,1108 13.253,1109 6.935,1110 24.972,1111 11.968,1112 3.039,1113 15.951,1114 21.299,1115 -1.881,1116 13.605,1117 14.758,1118 7.904,1119 27.737,1120 13.262,1121 2.679,1122 11.413,1123 23.348,1124 4.228,1125 14.908,1126 16.057,1127 8.54,1128 30.489,1129 14.536,1130 2.532,1131 8.754,1132 25.407,1133 3.499,1134 16.234,1135 17.523,1136 9.436,1137 33.254,1138 15.834,1139 2.377,1140 7.667,1141 27.473,1142 3.446,1143 17.558,1144 18.881,1145 10.13,1146 36.016,1147 17.13,1148 1.971,1149 7.054,1150 29.546,1151 3.02,1152 18.891,1153 20.329,1154 10.982,1155 38.783,1156 18.434,1157 1.607,1158 5.93,1159 31.623,1160 2.757,1161 20.226,1162 21.722,1163 11.71,1164 41.549,1165 19.738,1166 7537,1167 11965,1168 18.781,1169 31.995,1170 45.392,1171 45.855,1172 46.565,1173 44.799,1174 44.801,1175 54.528,1176 9.05,1177 143.922,1178 43.086,1179 5.873,1180 6.105,1181 7.969,1182 5.897,1183 5.842,1184 7.228,1185 3.889,1186 24.922,1187 5.722,1188 14.031,1189 1.565,1190 1.581,1191 1.606,1192 1.545,1193 1.545,1194 1.88,1195 0.312,1196 4.963,1197 1.486,1198 4.117,1199 4.158,1200 4.063,1201 4.006,1202 7.435,1203 4.014,1204 3.9,1205 3.935,1206 3.834,1207 3.822,1208 7.236,1209 3.818,1210 3.746,1211 3.786,1212 3.672,1213 3.592,1214 4.839,1215 3.602,1216 3.411,1217 3.448,1218 3.355,1219 3.123,1220 4.755,1221 3.167,1222 3.299,1223 3.389,1224 3.121,1225 3.084,1226 4.389,1227 3.082,1228 3.249,1229 3.321,1230 3.1,1231 3.001,1232 4.081,1233 3.021,1234 2.98,1235 3.095,1236 2.714,1237 2.768,1238 3.931,1239 2.735,1240 2.854,1241 2.925,1242 2.688,1243 2.735,1244 3.821,1245 2.715,1246 0.169,1247 0.142,1248 0.282,1249 0.166,1250 0.132,1251 4.909,1252 0.146,1253 4.105,1254 0.075,1255 8.167,1256 0.55,1257 4.808,1258 0.128,1259 3.842,1260 4.228,1261 2.186,1262 15.951,1263 3.722,1264 1.907,1265 1.887,1266 2.014,1267 2.013,1268 1.31,1269 2.01,1270 1.881,1271 1.85,1272 2,1273 1.976,1274 1.154,1275 1.983,1276 1.661,1277 1.598,1278 1.854,1279 1.928,1280 1.061,1281 1.909,1282 1.588,1283 1.522,1284 1.821,1285 1.774,1286 1.024,1287 1.795,1288 1.261,1289 1.21,1290 1.583,1291 1.569,1292 0.648,1293 1.551,1294 1.154,1295 1.085,1296 1.454,1297 1.446,1298 0.57,1299 1.434,1300 1.017,1301 0.903,1302 1.317,1303 1.292,1304 0.353,1305 1.354,1306 0.886,1307 0.821,1308 1.183,1309 1.062,1310 0.278,1311 1.11,1312 4.078,1314 5.476,1315 3.045,1316 7.069,1317 5.687,1318 8.756,1319 8.009,1320 10.504,1322 5.843,1328 1.402,1329 2.711,1330 5.472,1332 -0.147,1333 2.073,1334 -0.24,1335 -0.271,1340 30.477,1341 75.131,1342 171.818,1343 223.346,1344 243.346,1345 248.856,1346 248.856,1347 49.993,1348 7.652,1349 58.64,1350 58.64,1351 22,1352 13.011,1353 3.807,1354 3,1355 38.203,1356 97,1357 100,1358 0.2,1359 184.924,1360 324.21,1361 442.973,1362 21169,1364 18.527,1365 0.713,1366 0.587,1367 18.527,1368 15.252,1369 12.31,1370 0.424,1371 0.307,1372 8.767,1373 11.769,1374 8.482,1375 7.016,1376 12.31,1377 8.914,1378 12.361,1379 0.275,1380 0.173,1381 12.361,1382 7.768,1383 10.117,1384 0.163,1385 0.095,1386 10.117,1387 5.888,1388 9.311,1389 0.103,1390 0.053,1391 9.311,1392 4.81,1393 7.185,1394 0.065,1395 0.029,1396 7.185,1397 3.193,1398 0.312,1399 77.607,1400 0.231,1401 24.908,1402 0.555,1403 148,1404 413.755,1405 164.487,1406 392.788,1407 534.44,1408 366,1409 181,1410 397.183,1411 198.576,1412 397.686,1413 588.32,1414 373,1415 6.699}
{0 CHEMBL538920,1 1.465,2 22.224,3 11.102,4 123.252,5 199.981,6 7.482,7 0.509,8 4.61,9 4.728,10 4.189,11 4.224,12 5.587,13 4.172,14 5.195,15 5.367,16 4.569,17 4.654,18 6.134,19 4.57,20 5.515,21 5.749,22 4.679,23 4.807,24 6.401,25 4.698,26 5.515,27 5.746,28 4.626,29 4.777,30 6.432,31 4.671,32 5.5,33 5.725,34 4.59,35 4.804,36 6.364,37 4.686,38 5.581,39 5.818,40 4.595,41 4.836,42 6.459,43 4.686,44 5.593,45 5.854,46 4.481,47 4.783,48 6.374,49 4.601,50 5.501,51 5.771,52 4.357,53 4.633,54 6.32,55 4.445,56 0.059,57 1.267,58 19.288,59 8.966,60 8.746,61 12.09,62 0.237,63 2.168,64 38.551,65 16.176,66 29.581,67 22.064,68 0.418,69 2.84,70 61.639,71 22.316,72 57.252,73 30.79,74 0.659,75 2.878,76 60.638,77 20.975,78 71.599,79 28.971,80 0.416,81 2.857,82 55.255,83 21.457,84 50.964,85 29.721,86 0.726,87 2.97,88 63.207,89 24.387,90 78.204,91 33.814,92 0.459,93 2.894,94 69.038,95 25.678,96 57.393,97 35.386,98 0.691,99 2.552,100 70.867,101 23.034,102 77.475,103 31.326,104 10,105 76,106 0.214,107 0.509,108 0.67,109 0.807,110 0.86,111 0.878,112 3.914,113 1.025,114 -6.86,115 -6.67,116 -6.17,121 44.1,123 13,127 3,144 10,145 6,146 4,148 4,160 1,176 22,180 12,183 1,185 5,187 28,192 12,197 6,200 21,205 1,206 13,209 1,211 8,214 25,219 4,224 3,227 29,231 2,232 6,235 2,237 4,239 35,244 3,249 3,251 25,256 7,261 4,264 22,269 6,274 2,277 19,281 5882,282 33.965,283 33.965,284 33.965,285 33.965,286 33.965,287 30.588,288 28.468,289 20.531,290 34.56,291 27.244,292 27.244,293 27.244,294 27.244,295 27.244,296 21.864,297 26.893,298 9.876,299 28.303,300 5.074,301 3.058,302 1.96,303 1.027,304 0.661,305 0.538,306 4.638,308 2,313 2445,314 4.583,318 956.407,322 908.325,325 3.231,326 37.801,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.49,337 102.667,338 1089,339 4.69,340 3.568,341 6.908,342 4.259,343 3.283,344 4.614,345 1.058,346 11.64,347 3.201,348 4.651,349 3.411,350 6.833,351 4.214,352 3.235,353 4.582,354 0.86,355 11.364,356 3.165,357 4.222,358 3.373,359 6.28,360 3.846,361 2.847,362 3.845,363 0.4,364 9.413,365 2.84,366 3.993,367 2.948,368 6.004,369 3.607,370 2.626,371 3.534,373 8.477,374 2.572,375 3.99,376 2.943,377 5.97,378 3.58,379 2.61,380 3.49,382 8.356,383 2.532,384 3.745,385 2.686,386 5.64,387 3.322,388 2.357,389 3.177,391 7.36,392 2.268,393 3.584,394 2.562,395 5.427,396 3.193,397 2.252,398 2.966,400 6.886,401 2.104,402 3.581,403 2.541,404 5.096,405 3.126,406 2.225,407 2.961,409 6.156,410 1.949,411 3.365,412 2.272,413 4.899,414 2.926,415 1.987,416 2.699,418 5.573,419 1.914,420 3.077,421 1.962,422 4.759,423 2.876,424 1.919,425 2.304,427 4.951,428 1.712,429 2.963,430 1.954,431 4.257,432 2.716,433 1.735,434 2.027,436 4.071,437 1.694,438 2.885,439 1.873,440 4.121,441 2.623,442 1.665,443 1.908,445 3.805,446 1.564,447 2.722,448 1.805,449 3.984,450 2.497,451 1.518,452 1.756,454 3.454,455 1.479,456 2.627,457 1.677,458 3.959,459 2.428,460 1.45,461 1.649,463 3.349,464 1.416,465 2.604,466 1.611,467 3.866,468 2.393,469 1.431,470 1.613,472 3.261,473 1.352,474 24.195,475 0.494,476 0.969,477 0.02,478 59.25,479 1.209,480 28.5,481 0.582,482 30.75,483 0.628,484 56.171,485 1.146,486 52.005,487 0.559,488 45.823,489 0.935,490 10.313,491 0.21,492 13.733,493 0.28,494 0.073,496 0.31,501 0.7,502 1.171,503 0.672,504 0.961,505 0.56,506 0.927,507 0.781,508 1.187,509 0.748,510 1.007,511 0.557,512 0.999,513 0.939,514 1.049,515 0.82,516 0.91,517 0.77,518 0.876,519 1.173,520 0.983,521 0.868,522 0.899,523 1.149,524 0.921,525 0.954,526 1.045,527 0.77,528 0.962,529 0.976,530 1.002,531 0.705,532 1.025,533 0.8,534 1.036,535 0.791,536 1.075,537 0.853,538 1.044,539 0.914,540 1.044,541 0.961,542 1.057,543 1.192,544 0.907,545 1.159,546 0.998,547 1.429,548 1.001,549 7,550 0.198,551 5.111,552 2.875,553 3.004,554 1.528,555 1.045,556 0.661,557 0.5,558 0.269,559 63579,560 151067,561 2.17,562 47.3,563 18,564 16,567 2,568 2,569 6,572 1.836,573 2.085,574 4.304,575 0.015,582 136.267,583 1.465,584 3.481,585 4.579,586 5.512,587 5.878,588 6.002,589 3.759,590 5.37,591 5.594,592 4.595,593 5403.45,594 9.868,595 126216,600 608.142,601 1.187,602 5.569,603 0.127,604 0.005,605 0.067,606 0.035,607 0.039,608 0.02,609 0.015,610 0.011,611 0.01,612 0.006,613 0.335,614 0.17,615 0.5,616 0.361,617 305.931,618 -0.013,619 -0.023,620 0.031,621 0.019,622 0.019,623 0.04,624 0.031,625 -0.103,626 0.022,627 -0.036,628 0.106,629 -0.028,630 -0.002,631 -0.028,632 0.08,633 0.059,634 0.079,635 0.102,636 -0.044,637 0.077,638 -0.016,639 0.037,640 -0.037,641 0.024,642 -0.078,643 0.005,644 -0.029,645 -0.019,646 -0.063,647 -0.039,648 0.163,649 -0.029,650 -0.001,651 -0.069,652 0.102,653 -0.091,654 -0.008,655 -0.099,656 0.008,657 -0.053,658 -0.043,659 -0.051,660 -0.05,661 0.024,662 -0.035,663 0.005,664 -0.105,665 -0.002,666 1.716,667 6.081,668 0.694,669 77.715,670 0.992,671 1.118,672 5.629,673 31.684,674 0.684,675 4.025,676 4.344,677 4.654,678 4.963,679 5.288,680 5.425,681 5.598,682 5.762,683 5.883,684 5.852,685 13.022,686 0.637,687 695.79,688 4.025,689 5.572,690 6.435,691 7.319,692 8.205,693 9.103,694 10.001,695 10.907,696 11.812,697 12.722,698 4.3,703 1,705 1,708 2,714 4,715 10,716 2,720 10,722 28,729 1,734 1,739 1,740 2,741 93,743 29,744 3,745 55,747 99,748 41,749 24,750 8,751 10,752 1,756 7,757 13,758 2,767 6,770 13,772 25,773 16,777 1,782 1,786 1,793 44,794 6,795 2,796 8,797 2,802 4,808 0.429,809 2,822 2,829 7,833 4,859 3,865 2,868 49,876 16,877 2,878 1,892 2,893 2.2,896 1,898 1,901 23.5,902 16.602,903 10.778,904 6.508,907 5.297,908 1.543,909 1.018,910 11.201,911 15.046,912 4.263,913 4.879,914 5.522,915 6.166,916 6.83,917 7.248,918 7.705,919 8.151,920 8.561,921 8.714,922 1,923 83,924 18.237,926 7.841,927 0.026,929 7.515,931 36.072,933 30.845,936 2.015,937 98.722,941 494.386,942 183.911,943 69.593,944 78.297,945 36.145,948 183.911,949 608.828,950 69.593,952 59.763,953 94.762,954 81.431,955 53.691,957 494.386,958 78.297,959 494.386,960 253.504,961 36.145,962 78.297,964 423.76,965 106.771,968 69.565,969 132.357,970 129.879,972 494.386,973 105.737,974 262.209,977 494.386,978 89.149,979 94.762,980 36.022,981 148.013,982 494.386,983 105.737,984 262.209,986 0.573,987 0.335,988 0.189,989 0.113,990 36,991 15,992 0.131,993 13,994 4,995 1.235,996 5.972,997 512.578,998 0.235,999 34,1000 271.121,1005 34.089,1006 16.101,1007 8.007,1008 3.909,1009 105.737,1010 19.581,1011 9.937,1015 9.896,1017 36.022,1018 862.332,1019 70,1024 13.081,1028 -0.049,1031 92.265,1032 104.019,1034 0.224,1035 0.532,1036 0.7,1037 0.843,1038 0.899,1039 0.918,1040 5.505,1041 2.225,1042 6.402,1043 6.886,1044 5.03,1045 5.568,1046 1.617,1047 7.223,1048 4.961,1049 6.701,1050 1.987,1051 7.958,1052 6.156,1053 4.511,1054 5.434,1056 8.148,1057 4.383,1058 8.014,1059 1.919,1060 9.622,1061 5.573,1062 6.619,1063 7.831,1064 1.538,1065 11.309,1066 6.501,1067 9.368,1068 1.735,1069 11.352,1070 4.951,1071 6.976,1072 8.573,1074 13.118,1075 6.824,1076 10.761,1077 1.665,1078 13.127,1079 4.071,1080 8.51,1081 10.438,1082 1.532,1083 15.793,1084 8.356,1085 12.181,1086 1.518,1087 14.933,1088 3.805,1089 9.295,1090 11.583,1092 17.961,1093 9.116,1094 13.622,1095 1.45,1096 16.761,1097 3.454,1098 10.595,1099 13.238,1100 1.557,1101 20.476,1102 10.407,1103 3.283,1104 1.431,1105 18.606,1106 3.349,1107 11.587,1108 14.579,1110 22.797,1111 11.376,1112 3.235,1113 11.64,1114 20.464,1115 3.261,1116 12.797,1117 16.149,1118 1.603,1119 25.258,1120 12.57,1121 2.847,1122 11.364,1123 22.332,1124 4.614,1125 13.885,1126 17.584,1128 27.645,1129 13.636,1130 2.626,1131 9.413,1132 24.208,1133 4.582,1134 15.064,1135 19.121,1136 1.663,1137 30.09,1138 14.795,1139 2.61,1140 8.477,1141 26.091,1142 3.845,1143 16.197,1144 20.601,1146 32.506,1147 15.905,1148 2.357,1149 8.356,1150 27.98,1151 3.534,1152 17.368,1153 22.127,1154 1.734,1155 34.947,1156 17.054,1157 2.252,1158 7.36,1159 29.873,1160 3.49,1161 18.523,1162 23.629,1164 37.377,1165 18.184,1166 57358,1167 88799,1168 37.967,1169 63.637,1170 81.409,1171 83.724,1172 83.429,1173 81.708,1174 81.301,1175 104.085,1176 4.637,1177 231.604,1178 78.136,1179 5.663,1180 5.568,1181 6.844,1182 5.343,1183 5.283,1184 7.614,1185 2.117,1186 19.261,1187 5.201,1188 18.25,1189 1.48,1190 1.522,1191 1.517,1192 1.486,1193 1.478,1194 1.892,1195 0.084,1196 4.211,1197 1.421,1198 4.151,1199 4.175,1200 4.144,1201 4.079,1202 7.429,1203 4.084,1204 4.095,1205 4.119,1206 4.096,1207 4.028,1208 5.055,1209 4.033,1210 3.87,1211 3.892,1212 3.952,1213 3.825,1214 5.014,1215 3.816,1216 3.802,1217 3.865,1218 3.778,1219 3.681,1220 4.898,1221 3.664,1222 3.736,1223 3.78,1224 3.673,1225 3.657,1226 4.685,1227 3.642,1228 3.706,1229 3.753,1230 3.612,1231 3.581,1232 4.515,1233 3.58,1234 3.631,1235 3.696,1236 3.482,1237 3.486,1238 4.384,1239 3.472,1240 3.472,1241 3.543,1242 3.403,1243 3.284,1244 4.274,1245 3.287,1246 0.085,1247 0.065,1248 0.126,1249 0.077,1250 0.06,1251 4.69,1252 0.084,1253 3.568,1254 0.019,1255 6.908,1256 0.212,1257 4.259,1258 0.058,1259 3.283,1260 4.614,1261 1.058,1262 11.64,1263 3.201,1264 2.076,1265 2.06,1266 2.149,1267 2.162,1268 1.439,1269 2.159,1270 2.07,1271 2.047,1272 2.137,1273 2.158,1274 1.413,1275 2.155,1276 1.866,1277 1.846,1278 2.053,1279 1.972,1280 1.356,1281 2.001,1282 1.806,1283 1.745,1284 1.954,1285 1.93,1286 1.254,1287 1.945,1288 1.75,1289 1.709,1290 1.93,1291 1.866,1292 1.146,1293 1.894,1294 1.688,1295 1.647,1296 1.91,1297 1.859,1298 1.122,1299 1.878,1300 1.641,1301 1.576,1302 1.873,1303 1.811,1304 1.063,1305 1.836,1306 1.442,1307 1.372,1308 1.711,1309 1.67,1310 0.999,1311 1.686,1312 4.71,1314 6.028,1316 7.555,1318 9.19,1320 10.888,1323 12.413,1328 16.878,1329 6.901,1330 6.176,1340 59.233,1341 136.267,1342 323.729,1343 425.855,1344 512.658,1345 546.632,1346 558.142,1347 88.827,1348 9.749,1349 76.14,1350 76.14,1351 42,1352 13.238,1353 4.907,1354 4,1355 71.763,1356 402,1357 313,1358 0.084,1359 363.155,1360 631.88,1361 877.857,1362 409737,1363 2.2,1364 33.581,1365 0.685,1366 0.603,1367 34.581,1368 29.566,1369 24.047,1370 0.437,1371 0.342,1372 17.977,1373 22.975,1374 17.58,1375 14.494,1376 24.624,1377 18.79,1378 21.215,1379 0.279,1380 0.188,1381 22.032,1382 14.27,1383 18.283,1384 0.176,1385 0.1,1386 18.834,1387 10.384,1388 15.571,1389 0.11,1390 0.054,1391 15.973,1392 7.625,1393 13.732,1394 0.07,1395 0.03,1396 14.178,1397 5.827,1398 0.142,1399 153.842,1400 0.162,1401 43.94,1402 0.204,1403 262,1404 637.834,1405 306.345,1406 686.466,1407 943.02,1408 646,1409 311,1410 663.83,1411 344.99,1412 693.848,1413 1029.02,1414 660,1415 7.604}
{0 CHEMBL539045,1 1.47,2 12.375,3 3.362,4 11.302,5 94.724,6 6.843,7 0.48,8 3.936,9 4.058,10 3.419,11 3.414,12 5.011,13 3.389,14 4.458,15 4.649,16 3.681,17 3.735,18 5.53,19 3.68,20 4.652,21 4.861,22 3.65,23 3.836,24 5.599,25 3.743,26 4.72,27 4.972,28 3.555,29 3.79,30 5.625,31 3.675,32 4.618,33 4.849,34 3.517,35 3.793,36 5.533,37 3.667,38 4.698,39 4.963,40 3.454,41 3.78,42 5.536,43 3.631,44 4.608,45 4.87,46 3.342,47 3.67,48 5.477,49 3.523,50 4.474,51 4.731,52 3.278,53 3.566,54 5.337,55 3.428,56 0.017,57 0.652,58 10.796,59 4.452,60 7.233,61 6.035,62 0.382,63 0.981,64 19.798,65 6.714,66 34.576,67 9.49,68 0.232,69 1.107,70 24.17,71 8.687,72 31.617,73 11.981,74 0.4,75 1.122,76 26.777,77 8.712,78 44.219,79 12.47,80 0.261,81 1.084,82 23.358,83 8.429,84 32.46,85 12.008,86 0.241,87 1.12,88 25.709,89 8.986,90 34.648,91 13.079,92 0.363,93 1.019,94 23.826,95 7.888,96 38.865,97 11.443,98 0.183,99 0.903,100 20.443,101 7.051,102 25.345,103 10.267,104 13,105 31,106 0.253,107 0.551,108 0.729,109 0.839,110 0.87,111 0.87,112 3.226,113 0.962,114 -3.8,115 -3.76,116 -3.57,121 39.6,123 1,126 2,127 3,144 9,145 1,146 2,161 1,176 8,179 1,180 7,183 2,187 8,192 6,200 4,205 1,206 5,211 2,214 3,218 1,219 3,224 2,227 4,232 4,237 1,239 2,243 1,244 5,247 1,251 1,256 2,264 2,268 1,269 2,274 1,277 6,281 906,282 16.284,283 16.284,284 16.284,285 16.284,286 16.284,287 14.654,288 20.79,289 10.172,290 16.723,291 12.326,292 12.326,293 12.326,294 12.326,295 12.326,296 9.895,297 26.371,298 4.843,299 12.965,300 4.115,301 2.383,302 1.35,303 0.714,304 0.531,305 0.531,306 3.894,310 1,311 1,312 1,313 611,314 3.808,318 188.921,325 2.042,326 16.771,327 1,328 1,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 52,338 297,339 4.105,340 3.66,341 5.681,342 3.723,343 2.761,344 3.688,345 2.186,346 7.996,347 2.661,348 3.897,349 2.986,350 5.34,351 3.469,352 2.525,353 3.444,354 0.916,355 6.966,356 2.383,357 3.672,358 2.869,359 5.289,360 3.377,361 2.447,362 2.885,363 0.86,364 6.814,365 2.259,366 3.377,367 2.63,368 4.862,369 3.115,370 2.162,371 2.515,372 0.366,373 5.592,374 2.042,375 3.087,376 2.171,377 4.584,378 2.771,379 1.8,380 2.182,381 0.172,382 4.812,383 1.737,384 2.938,385 1.836,386 3.708,387 2.535,388 1.585,389 2.096,391 3.305,392 1.495,393 2.661,394 1.401,395 3.499,396 2.25,397 1.275,398 1.731,400 2.724,401 1.239,402 2.5,403 1.269,404 3.418,405 2.16,406 1.174,407 1.5,409 2.571,410 1.154,411 2.391,412 1.101,413 3.247,414 2,415 1,416 1.383,418 2.136,419 1,420 1.508,421 1,422 2.914,423 1.323,424 0.406,425 0.437,427 0.911,428 0.369,429 1.507,430 0.711,431 2.808,432 1.298,433 0.382,434 0.408,436 0.558,437 0.345,438 1.184,439 0.628,440 2.447,441 0.798,442 -0.172,443 -0.201,445 -0.421,446 -0.165,447 1.018,448 0.124,449 2,450 0.707,451 -0.265,452 -0.34,454 -0.632,455 -0.252,456 0.741,457 -0.21,458 1.928,459 0.441,460 -0.506,461 -0.573,463 -1.115,464 -0.474,465 0.5,466 -0.374,467 1.614,469 -1,470 -1.151,472 -2.154,473 -0.933,474 11.3,475 0.471,476 0.417,477 0.017,478 29.5,479 1.229,480 14.5,481 0.604,482 15,483 0.625,484 17.623,485 0.734,486 27.1,487 0.565,488 20.927,489 0.872,490 6.297,491 0.262,492 5.372,493 0.224,494 0.118,496 0.212,501 0.834,502 1.467,503 0.872,504 1.27,505 0.641,506 1.101,507 0.947,508 0.931,509 0.99,510 0.944,511 0.555,512 0.952,513 1.208,514 1.161,515 1.083,516 1.154,517 0.879,518 1.112,519 1.224,520 0.897,521 1.005,522 0.878,523 1.102,524 0.906,525 0.901,526 1.132,527 1.074,528 1.136,529 0.978,530 1.136,531 0.846,532 1.076,533 0.958,534 1.051,535 0.773,536 1.03,537 1.019,538 0.924,539 1.073,540 0.971,541 1.046,542 1.023,543 0.887,544 1.125,545 0.99,546 1.099,547 0.695,548 1.066,549 4.5,550 0.058,551 1.333,552 1.188,553 0.693,554 0.438,555 0.384,556 0.24,557 0.16,558 0.087,559 7113,560 18938,561 1.996,562 50,564 21,567 1,570 2,572 1.662,573 1.895,574 3.603,575 -0.342,576 1,577 1,582 70.574,583 1.47,584 3.202,585 4.235,586 4.871,587 5.054,588 5.054,589 3.094,590 4.085,591 4.556,592 3.776,593 1042.27,594 7.825,595 13403.9,597 1,599 1,600 268.078,601 1.236,602 4.528,603 0.18,604 0.004,605 0.043,606 0.041,607 0.027,608 0.018,609 0.017,610 0.012,611 0.008,612 0.005,613 0.354,614 0.5,615 1,616 1.139,617 118.584,618 -0.015,619 -0.232,620 0.051,621 -0.134,622 -0.033,623 -0.046,624 0.152,625 0.2,626 -0.001,627 0.058,628 0.19,629 0.02,630 -0.114,631 -0.156,632 -0.102,633 -0.135,634 -0.039,635 -0.12,636 -0.084,637 0.049,638 0.001,639 0.074,640 -0.042,641 0.052,642 -0.028,643 -0.123,644 -0.118,645 -0.127,646 -0.065,647 -0.139,648 -0.027,649 -0.133,650 0.002,651 -0.073,652 -0.018,653 -0.039,654 -0.036,655 0.037,656 -0.088,657 -0.022,658 -0.092,659 -0.061,660 -0.034,661 -0.162,662 -0.026,663 -0.124,664 0.008,665 -0.081,666 2.126,667 4.248,668 0.5,669 25.042,670 0.998,671 1.129,672 2.569,673 6.601,674 0.641,675 3.258,676 3.466,677 3.584,678 3.738,679 3.85,680 3.738,681 3.738,682 3.761,683 3.611,684 3.555,685 7.293,686 0.604,687 328.45,688 3.258,689 4.727,690 5.501,691 6.312,692 7.099,693 7.915,694 8.708,695 9.527,696 10.322,697 11.143,698 4.2,701 1,705 1,715 9,720 3,722 12,737 1,739 1,741 48,743 13,744 2,745 25,747 49,748 19,749 12,750 3,751 9,756 2,757 2,770 1,772 13,773 6,777 1,782 1,786 1,789 1,790 1,793 24,794 5,795 1,796 5,802 2,808 1,809 3,829 2,855 1,859 2,864 2,868 24,876 4,877 1,878 2,881 1,893 6.3,896 1,898 2,901 12.667,902 8.95,903 5.583,904 2.754,907 2.045,908 1.318,909 0.929,910 7.593,911 8.485,912 3.497,913 3.951,914 4.344,915 4.802,916 5.232,917 5.066,918 5.15,919 5.328,920 5.051,921 5.083,922 1,923 29,924 8.832,926 3.467,927 0.026,929 7.715,931 16.929,933 12.815,936 2.215,937 53.167,940 1,941 270.735,942 133.852,943 21.135,945 47.145,948 133.852,949 317.88,950 21.135,951 16.793,952 29.349,953 85.286,954 25.145,955 38.797,956 6.763,957 270.735,959 270.735,960 154.987,961 47.145,964 247.193,965 70.687,968 32.473,969 122.514,972 270.735,973 68.28,974 133.852,977 270.735,978 31.773,979 105.203,980 18.011,981 47.145,982 270.735,983 68.28,984 133.852,986 0.551,987 0.299,988 0.153,989 0.081,990 11,991 5,992 0.184,993 9,995 1,996 3.804,997 166.391,999 12,1000 106.039,1005 18.302,1006 9.958,1007 6.954,1009 68.28,1010 17.392,1015 2.551,1017 18.011,1018 472.867,1019 32,1024 11.248,1028 -0.46,1031 47.905,1032 54.192,1034 0.263,1035 0.573,1036 0.758,1037 0.872,1038 0.905,1039 0.905,1040 4.663,1041 1.174,1042 5.416,1043 2.724,1044 4.143,1045 4.635,1046 2.527,1047 6.057,1048 4.046,1049 5.795,1050 1,1051 6.864,1052 2.571,1053 3.434,1054 4.086,1055 1.847,1056 6.555,1057 3.264,1058 7.03,1059 0.406,1060 8.4,1061 2.136,1062 5.572,1063 6.622,1064 3.551,1065 9.575,1066 5.372,1067 8.293,1068 0.382,1069 9.988,1070 0.911,1071 5.638,1072 6.821,1073 3.603,1074 10.861,1075 5.352,1076 9.585,1077 -0.172,1078 11.607,1079 0.558,1080 7.219,1081 8.865,1082 4.916,1083 13.347,1084 6.923,1085 10.894,1086 -0.265,1087 13.248,1088 -0.421,1089 7.683,1090 9.448,1091 5.291,1092 14.995,1093 7.301,1094 12.219,1095 -0.506,1096 14.903,1097 -0.632,1098 8.987,1099 11.24,1100 6.389,1101 17.252,1102 8.601,1103 2.761,1104 -1,1105 16.569,1106 -1.115,1107 9.675,1108 12.053,1109 6.93,1110 19.089,1111 9.21,1112 2.525,1113 7.996,1114 18.243,1115 -2.154,1116 10.831,1117 13.687,1118 7.902,1119 21.238,1120 10.36,1121 2.447,1122 6.966,1123 19.923,1124 3.688,1125 11.647,1126 14.651,1127 8.539,1128 23.177,1129 11.108,1130 2.162,1131 6.814,1132 21.609,1133 3.444,1134 12.725,1135 16.179,1136 9.436,1137 25.276,1138 12.175,1139 1.8,1140 5.592,1141 23.298,1142 2.885,1143 13.616,1144 17.244,1145 10.13,1146 27.271,1147 13.007,1148 1.585,1149 4.812,1150 24.991,1151 2.515,1152 14.652,1153 18.699,1154 10.981,1155 29.349,1156 14.027,1157 1.275,1158 3.305,1159 26.688,1160 2.182,1161 15.587,1162 19.835,1163 11.71,1164 31.375,1165 14.912,1166 7110,1167 11723,1168 16.583,1169 30.75,1170 35.125,1171 36.345,1172 36.145,1173 35.011,1174 35.03,1175 44.538,1176 9.003,1177 88.771,1178 33.366,1179 5.035,1180 5.66,1181 5.483,1182 4.781,1183 4.761,1184 6.688,1185 3.889,1186 13.757,1187 4.661,1188 11.087,1189 1.405,1190 1.454,1191 1.446,1192 1.4,1193 1.401,1194 1.782,1195 0.36,1196 3.551,1197 1.335,1198 3.952,1199 3.983,1200 3.886,1201 3.865,1202 7.435,1203 3.864,1204 3.885,1205 3.91,1206 3.817,1207 3.809,1208 4.866,1209 3.807,1210 3.664,1211 3.73,1212 3.534,1213 3.484,1214 4.811,1215 3.483,1216 3.527,1217 3.589,1218 3.433,1219 3.217,1220 4.376,1221 3.262,1222 3.341,1223 3.418,1224 3.176,1225 3.124,1226 4.303,1227 3.125,1228 3.032,1229 3.085,1230 2.859,1231 2.819,1232 4.185,1233 2.813,1234 2.95,1235 3.021,1236 2.789,1237 2.767,1238 4.015,1239 2.766,1240 2.913,1241 2.979,1242 2.705,1243 2.735,1244 3.674,1245 2.715,1246 0.164,1247 0.146,1248 0.227,1249 0.149,1250 0.11,1251 4.105,1252 0.148,1253 3.66,1254 0.087,1255 5.681,1256 0.32,1257 3.723,1258 0.106,1259 2.761,1260 3.688,1261 2.186,1262 7.996,1263 2.661,1264 1.911,1265 1.885,1266 2.034,1267 2.026,1268 1.253,1269 2.03,1270 1.874,1271 1.849,1272 2.001,1273 1.977,1274 1.118,1275 1.985,1276 1.641,1277 1.574,1278 1.879,1279 1.846,1280 1.033,1281 1.857,1282 1.404,1283 1.335,1284 1.691,1285 1.731,1286 0.781,1287 1.718,1288 1.318,1289 1.238,1290 1.632,1291 1.573,1292 0.681,1293 1.596,1294 1.005,1295 0.932,1296 1.355,1297 1.265,1298 0.498,1299 1.281,1300 0.925,1301 0.877,1302 1.221,1303 1.195,1304 0.411,1305 1.202,1306 0.893,1307 0.834,1308 1.181,1309 1.153,1310 0.218,1311 1.174,1312 3.932,1314 5.165,1316 6.575,1318 8.063,1320 9.591,1322 3.603,1328 3.345,1329 2.436,1330 10.835,1333 2.216,1340 28.982,1341 70.574,1342 153.717,1343 203.284,1344 233.814,1345 242.568,1346 242.568,1347 39.314,1348 6.439,1349 50.8,1350 50.8,1351 12,1352 11.729,1353 3.807,1354 3,1355 48.837,1356 105,1357 94,1358 0.221,1359 183.324,1360 320.63,1361 439.07,1362 5349,1364 17.2,1365 0.717,1366 0.592,1367 17.2,1368 14.197,1369 11.669,1370 0.467,1371 0.321,1372 7.884,1373 11.147,1374 7.634,1375 6.435,1376 11.669,1377 8.02,1378 9.777,1379 0.315,1380 0.179,1381 9.777,1382 5.54,1383 7.344,1384 0.21,1385 0.099,1386 7.344,1387 3.462,1388 5.655,1389 0.138,1390 0.056,1391 5.655,1392 2.297,1393 4.247,1394 0.092,1395 0.031,1396 4.247,1397 1.426,1398 0.362,1399 73.571,1400 0.246,1401 24.392,1402 0.562,1403 112,1404 353.185,1405 125.432,1406 332.652,1407 444.29,1408 312,1409 122,1410 314.533,1411 134.135,1412 317.077,1413 452.43,1414 295,1415 7.099}
{0 CHEMBL539051,1 1.234,2 7.5,3 3.836,4 14.716,5 83.634,6 6.61,7 0.478,8 3.775,9 3.907,10 3.266,11 3.408,12 4.726,13 3.347,14 4.355,15 4.534,16 3.668,17 3.871,18 5.202,19 3.781,20 4.688,21 4.909,22 3.793,23 4.063,24 5.507,25 3.944,26 4.757,27 5.005,28 3.701,29 4.023,30 5.585,31 3.881,32 4.723,33 4.993,34 3.459,35 3.921,36 5.509,37 3.75,38 4.621,39 4.922,40 3.185,41 3.755,42 5.277,43 3.538,44 4.351,45 4.658,46 2.841,47 3.448,48 5.058,49 3.224,50 3.987,51 4.311,52 2.277,53 3.019,54 4.665,55 2.767,56 0.048,57 0.562,58 9.223,59 3.95,60 7.508,61 5.59,62 0.075,63 0.969,64 16.819,65 7.323,66 10.291,67 10.396,68 0.133,69 1.325,70 24.04,71 9.784,72 18.542,73 14.139,74 0.194,75 1.41,76 26.204,77 10.081,78 26.219,79 14.749,80 0.204,81 1.34,82 25.65,83 9.349,84 27.531,85 13.858,86 0.122,87 1.125,88 22.965,89 9.598,90 18.847,91 13.897,92 0.112,93 0.864,94 17.639,95 6.996,96 19.013,97 10.238,98 0.089,99 0.589,100 12.316,101 4.714,102 14.323,103 6.954,104 6,105 34,106 0.219,107 0.606,108 0.784,109 0.871,110 0.88,111 0.88,112 3.061,113 0.995,114 -4.61,115 -4.53,116 -4.26,121 45,122 1,123 4,124 2,137 1,138 1,144 4,145 2,146 1,148 2,165 1,166 1,167 1,176 14,180 4,185 2,187 19,189 2,192 4,197 2,200 15,203 2,206 4,208 1,209 1,211 5,214 14,216 5,219 1,224 3,227 13,229 3,232 1,237 2,239 12,241 2,244 1,249 1,251 9,253 1,264 5,277 3,281 394,282 13.834,283 13.834,284 13.834,285 13.834,286 13.834,287 12.287,288 13.092,289 7.957,290 13.899,291 11.327,292 11.327,293 11.327,294 11.327,295 11.327,296 8.901,297 12.616,298 3.737,299 11.451,300 4.087,301 1.912,302 0.907,303 0.419,304 0.369,305 0.369,306 3.763,310 1,311 1,312 1,313 336,314 2.236,318 122.068,320 39.904,322 100.408,324 59.448,325 1.15,326 10.846,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 41,338 150,339 4.664,340 3.492,341 6.938,342 4.285,343 3.298,344 4.567,345 0.68,346 11.68,347 3.253,348 4.119,349 3.017,350 6.219,351 3.812,352 2.818,353 3.556,355 9.23,356 2.8,357 3.793,358 2.657,359 5.586,360 3.393,361 2.398,362 3.122,364 7.526,365 2.386,366 3.499,367 2.496,368 5.378,369 3.196,370 2.216,371 2.861,373 6.818,374 2.173,375 3.049,376 2.1,377 4.98,378 2.865,379 1.887,380 2.187,382 5.641,383 1.842,384 3.001,385 1.903,386 4.871,387 2.751,388 1.76,389 2.061,391 5.241,392 1.743,393 2.835,394 1.423,395 3.911,396 2.396,397 1.403,398 1.909,400 3.075,401 1.392,402 2.407,403 1.081,404 3.647,405 1.991,406 1.003,407 1.371,409 2.603,410 0.989,411 1.58,412 0.652,413 3.233,414 1.436,415 0.436,416 0.461,418 0.641,419 0.436,420 1.342,421 0.469,422 2.951,423 1.129,424 0.14,425 0.158,427 0.409,428 0.138,429 1.324,430 0.122,431 2.814,432 0.95,438 0.853,439 -0.423,440 2.542,441 0.518,442 -0.468,443 -0.562,445 -1.267,446 -0.46,447 0.575,448 -0.542,449 2.403,450 0.256,451 -0.74,452 -0.836,454 -1.842,455 -0.737,456 0.33,457 -0.655,458 2,459 0.119,460 -0.865,461 -1.04,463 -2.12,464 -0.849,465 0.325,466 -0.834,467 1.972,468 0.053,469 -0.941,470 -1.228,472 -2.718,473 -0.935,474 9.8,475 0.49,476 0.5,477 0.025,478 23.75,479 1.188,480 11.5,481 0.575,482 12.25,483 0.613,484 18.216,485 0.911,486 20.8,487 0.52,488 13.583,489 0.679,490 3.988,491 0.199,492 5.77,493 0.289,494 0.092,496 0.408,501 1.045,502 1.005,503 0.909,504 0.928,505 1.159,506 0.913,507 0.681,508 1.102,509 0.881,510 1.02,511 0.607,512 0.973,513 0.96,514 1.144,515 0.969,516 1.051,517 0.836,518 1.018,519 1.154,520 1.149,521 1.048,522 1.075,523 1.062,524 1.059,525 1.744,526 0.969,527 1.211,528 1,529 1.664,530 1.059,531 0.615,532 0.938,533 0.925,534 0.988,535 0.744,536 0.978,537 0.987,538 0.919,539 1.017,540 0.977,541 1.039,542 0.995,543 1.263,544 0.796,545 1.081,546 0.915,547 1.309,548 0.974,549 4,550 0.012,551 1.778,552 2,553 1.471,554 0.771,555 0.323,556 0.158,557 0.057,558 0.026,559 3549,560 6417,561 2.195,562 50,563 11,564 5,567 2,568 2,572 1.623,573 2.069,574 2.896,575 0.213,577 1,579 1,582 49.38,583 1.234,584 3.41,585 4.415,586 4.903,587 4.953,588 4.953,589 2.409,590 3.309,591 4.295,592 2.948,593 560.125,594 7.365,595 5354.36,597 1,598 1,599 1,600 212.877,601 1.361,602 4.262,603 0.174,604 0.012,605 0.052,606 0.054,607 0.046,608 0.032,609 0.018,610 0.013,611 0.01,612 0.009,613 0.42,614 0.83,615 1,616 0.764,617 85.361,618 -0.066,619 0.118,620 0.056,621 0.107,622 -0.098,623 0.092,624 0.087,625 -0.062,626 0.076,627 0.01,628 0.096,629 0.036,630 0.036,631 -0.124,632 0.004,633 -0.061,634 0.038,635 -0.036,636 0.076,637 -0.131,638 -0.06,639 -0.118,640 0.092,641 -0.101,642 -0.318,643 0.058,644 -0.213,645 -0.068,646 -0.261,647 -0.122,648 0.061,649 -0.043,650 0.036,651 -0.005,652 0.037,653 0.011,654 -0.065,656 -0.042,657 -0.018,658 -0.045,659 -0.027,660 -0.204,661 0.125,662 -0.098,663 0.025,664 -0.215,665 -0.02,666 0.749,667 2.503,668 0.85,669 11.67,670 0.979,671 1.118,672 3.376,673 11.397,674 0.672,675 3.178,676 3.555,677 3.912,678 4.277,679 4.595,680 4.771,681 4.956,682 5.118,683 5.204,684 5.198,685 4.333,686 0.62,687 264.4,688 3.178,689 4.745,690 5.638,691 6.558,692 7.468,693 8.396,694 9.311,695 10.243,696 11.161,697 12.094,698 5,702 1,708 1,714 2,715 4,716 1,720 3,722 11,733 1,741 40,743 12,744 1,745 23,747 43,748 18,749 9,750 2,751 4,756 4,757 10,763 1,767 3,768 2,770 4,772 11,773 7,774 2,777 1,784 1,786 1,790 1,793 20,794 2,795 2,796 2,802 2,808 0.25,822 1,829 4,831 1,833 2,835 1,849 1,850 1,859 1,864 1,868 20,869 1,876 4,880 2,901 9.667,902 7.367,903 4.306,904 2.753,907 2.758,908 1.37,909 1.038,910 2.679,911 10.212,912 3.418,913 4.069,914 4.714,915 5.349,916 5.963,917 6.357,918 6.799,919 7.229,920 7.622,921 7.745,922 1,923 37,924 7.438,926 3.271,927 0.026,929 7.383,931 14.966,933 13.411,936 1.883,937 37.667,938 0.003,941 211.88,942 82.946,943 49.683,948 82.946,949 211.88,950 49.683,951 8.825,952 10.138,953 80.278,954 16.786,955 16.602,957 211.88,959 211.88,960 132.629,964 211.88,968 23.864,969 82.503,970 26.262,972 211.88,973 49.683,974 82.946,977 211.88,978 26.74,979 56.206,981 49.683,982 211.88,983 49.683,984 82.946,986 0.589,987 0.362,988 0.212,989 0.122,990 20,991 8,992 0.023,993 1,994 4,995 1.412,996 3.18,997 168.769,998 0.471,999 16,1000 86.439,1005 12.107,1006 4.425,1007 1.827,1008 2.167,1009 49.683,1010 8.268,1011 4.901,1015 3.569,1017 32.897,1018 344.509,1019 29.5,1026 2.493,1028 1.601,1031 39.156,1032 44.733,1034 0.232,1035 0.641,1036 0.83,1037 0.921,1038 0.931,1039 0.931,1040 4.689,1041 1.003,1042 5.645,1043 3.075,1044 4.234,1045 4.754,1046 0.655,1047 6.526,1048 4.211,1049 5.911,1050 0.436,1051 7.241,1052 2.603,1053 3.892,1054 4.663,1056 7.516,1057 3.854,1058 7.244,1059 0.14,1060 8.934,1061 0.641,1062 5.889,1063 7.02,1064 0.356,1065 10.681,1066 5.844,1067 8.611,1069 10.685,1070 0.409,1071 6.347,1072 7.765,1074 12.491,1075 6.286,1076 10.011,1077 -0.468,1078 12.474,1080 7.833,1081 9.617,1082 0.18,1083 15.187,1084 7.765,1085 11.435,1086 -0.74,1087 14.289,1088 -1.267,1089 8.677,1090 10.767,1092 17.361,1093 8.592,1094 12.878,1095 -0.865,1096 16.124,1097 -1.842,1098 9.963,1099 12.416,1100 0.087,1101 19.895,1102 9.868,1103 3.298,1104 -0.941,1105 17.975,1106 -2.12,1107 10.99,1108 13.763,1110 22.228,1111 10.879,1112 2.818,1113 11.68,1114 19.839,1115 -2.718,1116 12.201,1117 15.329,1118 0.041,1119 24.706,1120 12.078,1121 2.398,1122 9.23,1123 21.714,1124 4.567,1125 13.313,1126 16.768,1128 27.107,1129 13.174,1130 2.216,1131 7.526,1132 23.598,1133 3.556,1134 14.499,1135 18.302,1136 0.019,1137 29.567,1138 14.347,1139 1.887,1140 6.818,1141 25.49,1142 3.122,1143 15.65,1144 19.783,1146 31.998,1147 15.482,1148 1.76,1149 5.641,1150 27.388,1151 2.861,1152 16.831,1153 21.305,1154 0.009,1155 34.453,1156 16.649,1157 1.403,1158 5.241,1159 29.291,1160 2.187,1161 18,1162 22.806,1164 36.897,1165 17.803,1166 3360,1167 4602,1168 15.72,1169 26.864,1170 35.008,1171 35.275,1172 36.308,1173 34.768,1174 34.717,1175 44.506,1176 1.36,1177 105.729,1178 34.304,1179 5.619,1180 5.492,1181 6.619,1182 5.326,1183 5.298,1184 7.567,1185 1.36,1186 19.25,1187 5.253,1188 7.431,1189 1.522,1190 1.534,1191 1.579,1192 1.512,1193 1.509,1194 1.935,1195 0.059,1196 4.597,1197 1.491,1198 4.135,1199 4.165,1200 4.091,1201 4.067,1202 5.145,1203 4.069,1204 3.878,1205 3.915,1206 3.792,1207 3.814,1208 4.783,1209 3.804,1210 3.532,1211 3.592,1212 3.411,1213 3.431,1214 4.496,1215 3.42,1216 3.307,1217 3.378,1218 3.161,1219 3.173,1220 4.28,1221 3.161,1222 3.213,1223 3.291,1224 3.058,1225 3.06,1226 3.933,1227 3.046,1228 2.988,1229 3.074,1230 2.839,1231 2.828,1232 3.708,1233 2.823,1234 2.906,1235 2.993,1236 2.702,1237 2.753,1238 3.528,1239 2.73,1240 2.741,1241 2.844,1242 2.529,1243 2.572,1244 3.511,1245 2.55,1246 0.203,1247 0.152,1248 0.302,1249 0.186,1250 0.143,1251 4.664,1252 0.199,1253 3.492,1254 0.03,1255 6.938,1256 0.508,1257 4.285,1258 0.141,1259 3.298,1260 4.567,1261 0.68,1262 11.68,1263 3.253,1264 2.097,1265 2.072,1266 2.193,1267 2.183,1268 1.539,1269 2.187,1270 1.89,1271 1.857,1272 2.027,1273 1.982,1274 1.183,1275 2.001,1276 1.55,1277 1.496,1278 1.812,1279 1.708,1280 1.037,1281 1.746,1282 1.306,1283 1.248,1284 1.522,1285 1.496,1286 0.85,1287 1.506,1288 1.226,1289 1.153,1290 1.502,1291 1.424,1292 0.622,1293 1.459,1294 0.969,1295 0.903,1296 1.281,1297 1.209,1298 0.502,1299 1.22,1300 0.937,1301 0.856,1302 1.22,1303 1.152,1304 0.288,1305 1.201,1306 0.754,1307 0.671,1308 1.107,1309 1.008,1310 0.195,1311 1.049,1312 3.85,1314 5.209,1316 6.795,1318 8.489,1320 10.242,1322 2.26,1326 6.503,1328 4.651,1332 1.255,1340 24.784,1341 49.38,1342 136.407,1343 176.612,1344 196.122,1345 198.122,1346 198.122,1347 24.216,1348 7.454,1349 38.91,1350 38.91,1351 24,1352 12.596,1353 3.7,1354 2.907,1355 26.008,1356 53,1357 56,1358 0.259,1359 149.883,1360 254.88,1361 357.475,1362 15667,1364 13.69,1365 0.684,1366 0.595,1367 13.69,1368 11.894,1369 9.758,1370 0.424,1371 0.332,1372 7.6,1373 9.664,1374 7.382,1375 6.098,1376 9.758,1377 7.625,1378 8.984,1379 0.264,1380 0.182,1381 8.984,1382 6.182,1383 8.097,1384 0.165,1385 0.101,1386 8.097,1387 4.936,1388 7.434,1389 0.105,1390 0.057,1391 7.434,1392 4.024,1393 6.338,1394 0.065,1395 0.032,1396 6.338,1397 3.137,1398 0.382,1399 59.247,1400 0.252,1401 19.153,1402 0.79,1403 114,1404 214.957,1405 117.081,1406 221.672,1407 322.52,1408 210,1409 140,1410 253.662,1411 143.497,1412 262.452,1413 390.76,1414 250,1415 7.423}
{0 CHEMBL539072,1 1.249,2 6.842,3 3.38,4 11.424,5 79.033,6 6.767,7 0.5,8 3.707,9 3.835,10 3.221,11 3.348,12 4.679,13 3.292,14 4.28,15 4.452,16 3.633,17 3.814,18 5.149,19 3.731,20 4.609,21 4.817,22 3.744,23 4.005,24 5.457,25 3.891,26 4.712,27 4.976,28 3.634,29 3.942,30 5.548,31 3.8,32 4.57,33 4.832,34 3.336,35 3.782,36 5.409,37 3.618,38 4.43,39 4.73,40 3.054,41 3.575,42 5.119,43 3.371,44 4.116,45 4.401,46 2.608,47 3.263,48 4.873,49 3.044,50 3.831,51 4.176,52 1.948,53 2.816,54 4.363,55 2.517,56 0.044,57 0.521,58 8.337,59 3.58,60 7.292,61 5.03,62 0.067,63 0.897,64 15.24,65 6.675,66 9.517,67 9.423,68 0.12,69 1.235,70 21.831,71 8.933,72 17.078,73 12.815,74 0.193,75 1.342,76 25.176,77 9.59,78 27.433,79 14.008,80 0.183,81 1.17,82 21.931,83 7.888,84 26.772,85 11.619,86 0.105,87 0.939,88 19.129,89 7.91,90 17.708,91 11.456,92 0.104,93 0.704,94 13.941,95 5.363,96 17.138,97 7.827,98 0.052,99 0.478,100 10.65,101 4.559,102 9.468,103 6.603,104 5,105 33,106 0.225,107 0.64,108 0.81,109 0.868,110 0.878,111 0.878,112 3.014,113 0.963,114 -4.37,115 -4.3,116 -4.06,121 45.9,122 1,123 3,124 2,137 1,138 1,144 4,145 2,146 1,148 2,165 1,166 1,167 1,176 13,180 4,185 2,187 18,189 2,192 4,197 2,200 13,203 2,206 4,208 1,209 1,211 5,214 12,216 5,219 1,224 3,227 10,229 3,232 1,237 2,239 12,241 2,251 8,264 4,277 1,281 324,282 12.964,283 12.964,284 12.964,285 12.964,286 12.964,287 11.364,288 13.447,289 7.451,290 13.029,291 10.9,292 10.9,293 10.9,294 10.9,295 10.9,296 8.494,297 16.102,298 3.582,299 11.023,300 3.961,301 1.667,302 0.723,303 0.399,304 0.345,305 0.345,306 3.714,310 1,311 1,312 1,313 294,314 2,318 112.36,320 37.088,322 92.061,324 54.879,325 1.025,326 10.415,328 1,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 39,338 130,339 4.666,340 3.517,341 6.938,342 4.283,343 3.297,344 4.568,345 0.68,346 11.678,347 3.252,348 4.115,349 2.971,350 6.215,351 3.8,352 2.806,353 3.569,354 0.68,355 9.208,356 2.788,357 3.715,358 2.621,359 5.517,360 3.352,361 2.357,362 3.019,364 7.303,365 2.344,366 3.509,367 2.462,368 5.356,369 3.175,370 2.197,371 2.868,373 6.733,374 2.15,375 3.103,376 1.977,377 4.975,378 2.833,379 1.854,380 2.181,382 5.516,383 1.81,384 2.966,385 1.937,386 4.667,387 2.709,388 1.716,389 2.117,391 4.896,392 1.703,393 2.79,394 1.421,395 3.911,396 2.393,397 1.4,398 1.836,400 3.075,401 1.389,402 2.398,403 1.09,404 3.647,405 1.99,406 1.002,407 1.363,409 2.603,410 0.989,411 1.371,412 0.504,413 3.233,414 1.129,415 0.14,416 0.158,418 0.409,419 0.138,420 1.33,421 0.123,422 2.95,423 0.95,429 0.862,430 0.009,431 2.588,432 0.624,433 -0.371,434 -0.389,436 -0.967,437 -0.369,438 0.614,439 -0.412,440 2.427,441 0.438,442 -0.548,443 -0.672,445 -1.447,446 -0.539,447 0.549,448 -0.643,449 2.191,450 0.127,451 -0.857,452 -1.043,454 -2.076,455 -0.842,456 0.382,457 -0.823,458 2,459 0.081,460 -0.914,461 -1.222,463 -2.707,464 -0.91,465 0.13,466 -0.983,467 1.873,468 -0.177,469 -1.166,470 -1.465,472 -3.264,473 -1.154,474 9.3,475 0.489,476 0.538,477 0.028,478 23.25,479 1.224,480 11.5,481 0.605,482 11.75,483 0.618,484 16.418,485 0.864,486 19.5,487 0.527,488 13.262,489 0.698,490 4.026,491 0.212,492 5.194,493 0.273,494 0.097,496 0.43,501 1.04,502 0.977,503 0.88,504 0.895,505 1.162,506 0.88,507 0.669,508 1.079,509 0.847,510 0.991,511 0.58,512 0.942,513 0.991,514 1.21,515 1.032,516 1.124,517 0.877,518 1.088,519 1.106,520 1.059,521 0.959,522 0.978,523 0.969,524 0.962,525 1.825,526 1.01,527 1.276,528 1.044,529 1.781,530 1.109,531 0.636,532 0.904,533 0.887,534 0.944,535 0.755,536 0.934,537 1.428,538 0.93,539 1.277,540 1.084,541 1.558,542 1.155,543 0.28,544 0.79,545 0.837,546 0.923,547 0.412,548 0.918,549 4,551 1.778,552 2,553 1.431,554 0.681,555 0.242,556 0.142,557 0.037,558 0.016,559 3088,560 5718,561 2.205,562 48.6,563 9,564 5,567 2,568 2,572 1.609,573 2.073,574 2.788,575 0.238,577 1,579 1,582 46.204,583 1.249,584 3.543,585 4.486,586 4.811,587 4.865,588 4.865,589 2.249,590 3.932,591 4.225,592 2.833,593 484.381,594 7.223,595 4463.99,596 1,597 1,599 1,600 192.75,601 1.378,602 4.186,603 0.182,605 0.054,606 0.057,607 0.048,608 0.032,609 0.015,610 0.016,611 0.009,612 0.016,613 0.429,614 0.83,615 1,616 0.565,617 79.029,618 -0.076,619 0.125,620 0.055,621 0.114,622 -0.115,623 0.097,624 0.088,625 -0.053,626 0.089,627 0.023,628 0.11,629 0.05,630 -0.002,631 -0.192,632 -0.075,633 -0.144,634 -0.008,635 -0.12,636 0.113,637 -0.062,638 0.031,639 -0.028,640 0.175,641 -0.008,642 -0.364,643 0.027,644 -0.279,645 -0.119,646 -0.347,647 -0.18,648 0.078,649 -0.009,650 0.086,651 0.042,652 0.075,653 0.06,654 -0.332,655 0.034,656 -0.295,657 -0.134,658 -0.353,659 -0.198,660 0.147,661 0.019,662 0.134,663 0.078,664 0.101,665 0.1,666 0.848,667 2.451,668 0.895,669 9.745,670 0.98,671 1.117,672 3.138,673 9.849,674 0.678,675 3.135,676 3.526,677 3.871,678 4.248,679 4.554,680 4.727,681 4.883,682 5.056,683 5.094,684 5.106,685 4.067,686 0.629,687 250.37,688 3.135,689 4.71,690 5.602,691 6.526,692 7.434,693 8.365,694 9.278,695 10.212,696 11.128,697 12.062,698 5.4,702 1,708 1,714 2,715 4,716 1,720 3,722 11,733 1,741 37,743 12,744 1,745 22,747 40,748 17,749 9,750 2,751 4,756 4,757 10,763 1,767 3,768 2,770 3,772 11,773 6,774 2,777 1,784 1,786 1,790 1,793 18,794 2,795 2,796 2,802 2,808 0.25,822 1,829 4,831 1,833 2,835 1,849 1,850 1,859 1,864 1,868 19,869 1,876 3,880 2,901 9.167,902 6.867,903 3.972,904 2.378,907 2.752,908 1.375,909 1.049,910 2.305,911 10.096,912 3.384,913 4.052,914 4.687,915 5.344,916 5.965,917 6.357,918 6.79,919 7.224,920 7.589,921 7.692,922 0.8,923 35,924 7.058,926 3.128,927 0.026,929 7.404,931 14.149,933 12.749,936 1.904,937 36.167,938 0.003,941 188.338,942 80.412,943 49.683,948 80.412,949 188.338,950 49.683,951 8.825,952 7.604,953 80.278,954 16.786,955 16.602,957 188.338,959 188.338,960 130.095,964 188.338,968 21.33,969 82.503,970 26.262,972 188.338,973 49.683,974 80.412,977 188.338,978 24.205,979 56.206,981 49.683,982 188.338,983 49.683,984 80.412,986 0.597,987 0.358,988 0.214,989 0.121,990 20,991 8,994 4,995 1.412,996 3.087,997 158.559,998 0.471,999 16,1000 80.711,1005 11.188,1006 3.914,1007 1.634,1008 2.149,1009 49.683,1010 8.232,1011 4.875,1015 3.491,1017 32.897,1018 318.432,1019 28.5,1026 2.404,1028 1.513,1031 36.272,1032 41.318,1034 0.24,1035 0.68,1036 0.861,1037 0.923,1038 0.934,1039 0.934,1040 4.661,1041 1.002,1042 5.617,1043 3.075,1044 4.205,1045 4.736,1046 1.047,1047 6.5,1048 4.181,1049 5.892,1050 0.14,1051 7.213,1052 2.603,1053 3.892,1054 4.663,1056 7.486,1057 3.854,1058 7.227,1060 8.907,1061 0.409,1062 5.861,1063 7.007,1064 0.618,1065 10.657,1066 5.814,1067 8.595,1068 -0.371,1069 10.659,1071 6.33,1072 7.756,1074 12.469,1075 6.268,1076 9.995,1077 -0.548,1078 12.449,1079 -0.967,1080 7.808,1081 9.608,1082 0.333,1083 15.171,1084 7.738,1085 11.419,1086 -0.857,1087 14.265,1088 -1.447,1089 8.658,1090 10.761,1092 17.347,1093 8.571,1094 12.862,1095 -0.914,1096 16.102,1097 -2.076,1098 9.942,1099 12.412,1100 0.168,1101 19.884,1102 9.845,1103 3.297,1104 -1.166,1105 17.954,1106 -2.707,1107 10.973,1108 13.76,1110 22.219,1111 10.86,1112 2.806,1113 11.678,1114 19.821,1115 -3.264,1116 12.184,1117 15.328,1118 0.081,1119 24.698,1120 12.059,1121 2.357,1122 9.208,1123 21.697,1124 4.568,1125 13.298,1126 16.768,1128 27.1,1129 13.157,1130 2.197,1131 7.303,1132 23.583,1133 3.569,1134 14.485,1135 18.303,1136 0.038,1137 29.561,1138 14.33,1139 1.854,1140 6.733,1141 25.477,1142 3.019,1143 15.637,1144 19.785,1146 31.992,1147 15.467,1148 1.716,1149 5.516,1150 27.376,1151 2.868,1152 16.818,1153 21.308,1154 0.018,1155 34.448,1156 16.634,1157 1.4,1158 4.896,1159 29.281,1160 2.181,1161 17.988,1162 22.809,1164 36.892,1165 17.788,1166 2903,1167 4026,1168 15.027,1169 25.103,1170 34.017,1171 33.895,1172 34.916,1173 33.574,1174 33.539,1175 43.36,1176 2.72,1177 102.841,1178 33.126,1179 5.617,1180 5.517,1181 6.619,1182 5.325,1183 5.297,1184 7.568,1185 1.36,1186 19.247,1187 5.252,1188 7.007,1189 1.546,1190 1.541,1191 1.587,1192 1.526,1193 1.525,1194 1.971,1195 0.124,1196 4.675,1197 1.506,1198 4.133,1199 4.163,1200 4.091,1201 4.066,1202 5.145,1203 4.068,1204 3.87,1205 3.907,1206 3.782,1207 3.805,1208 4.782,1209 3.795,1210 3.464,1211 3.517,1212 3.362,1213 3.369,1214 4.503,1215 3.361,1216 3.292,1217 3.364,1218 3.157,1219 3.164,1220 4.278,1221 3.153,1222 3.104,1223 3.185,1224 2.956,1225 2.941,1226 3.83,1227 2.931,1228 2.983,1229 3.072,1230 2.815,1231 2.825,1232 3.685,1233 2.815,1234 2.772,1235 2.87,1236 2.575,1237 2.616,1238 3.521,1239 2.596,1240 2.679,1241 2.798,1242 2.471,1243 2.421,1244 3.301,1245 2.395,1246 0.212,1247 0.16,1248 0.315,1249 0.195,1250 0.15,1251 4.666,1252 0.208,1253 3.517,1254 0.031,1255 6.938,1256 0.531,1257 4.283,1258 0.148,1259 3.297,1260 4.568,1261 0.68,1262 11.678,1263 3.252,1264 2.096,1265 2.071,1266 2.191,1267 2.182,1268 1.534,1269 2.186,1270 1.883,1271 1.849,1272 2.022,1273 1.976,1274 1.18,1275 1.995,1276 1.473,1277 1.425,1278 1.703,1279 1.617,1280 0.873,1281 1.648,1282 1.295,1283 1.237,1284 1.514,1285 1.487,1286 0.791,1287 1.503,1288 1.111,1289 1.035,1290 1.416,1291 1.322,1292 0.609,1293 1.357,1294 0.971,1295 0.903,1296 1.256,1297 1.22,1298 0.389,1299 1.238,1300 0.799,1301 0.714,1302 1.164,1303 1.04,1304 0.247,1305 1.091,1306 0.688,1307 0.578,1308 1.087,1309 0.986,1310 0.184,1311 1.03,1312 3.807,1314 5.176,1316 6.765,1318 8.463,1320 10.218,1322 2.245,1326 6.451,1328 3.56,1332 1.246,1340 23.257,1341 46.204,1342 131.086,1343 165.995,1344 177.995,1345 179.995,1346 179.995,1347 22.181,1348 7.344,1349 38.91,1350 38.91,1351 24,1352 12.565,1353 3.7,1354 2.907,1355 24.216,1356 48,1357 42,1358 0.27,1359 140.291,1360 237.58,1361 334.07,1362 13686,1364 12.983,1365 0.683,1366 0.589,1367 12.983,1368 11.187,1369 9.22,1370 0.419,1371 0.321,1372 7.039,1373 9.126,1374 6.815,1375 5.632,1376 9.22,1377 7.064,1378 8.815,1379 0.267,1380 0.183,1381 8.815,1382 6.032,1383 7.657,1384 0.163,1385 0.098,1386 7.657,1387 4.587,1388 7.287,1389 0.106,1390 0.056,1391 7.287,1392 3.882,1393 6.019,1394 0.064,1395 0.031,1396 6.019,1397 2.874,1398 0.395,1399 56.019,1400 0.258,1401 18.186,1402 0.837,1403 110,1404 210.957,1405 113.081,1406 218.007,1407 315.9,1408 206,1409 135,1410 247.662,1411 138.497,1412 257.449,1413 382.25,1414 244,1415 6.361}
{0 CHEMBL539109,1 1.474,2 7.857,3 0.996,4 0.991,5 81.195,6 6.454,7 0.261,8 3.895,9 4.036,10 3.351,11 3.332,12 4.868,13 3.304,14 4.513,15 4.733,16 3.805,17 3.814,18 5.44,19 3.773,20 4.789,21 4.978,22 3.911,23 4.096,24 5.67,25 4.002,26 5.079,27 5.357,28 3.807,29 4.172,30 5.865,31 4.025,32 4.951,33 5.211,34 3.556,35 4.055,36 5.773,37 3.855,38 4.91,39 5.25,40 3.271,41 3.758,42 5.586,43 3.534,44 4.365,45 4.638,46 3.121,47 3.306,48 5.273,49 3.174,50 4.104,51 4.343,52 2.91,53 3.002,54 5.203,55 2.941,56 0.031,57 0.662,58 11.185,59 3.883,60 8.213,61 5.921,62 0.45,63 1.094,64 21.613,65 6.542,66 31.387,67 10.198,68 0.16,69 1.435,70 27.61,71 10.042,72 25.108,73 14.875,74 0.456,75 1.617,76 37.57,77 11.788,78 46.312,79 18.344,80 0.245,81 1.409,82 32.348,83 11.863,84 38.216,85 17.669,86 0.418,87 1.091,88 31.673,89 9.907,90 43.457,91 15.359,92 0.265,93 0.693,94 18.608,95 5.504,96 26.922,97 8.402,98 0.394,99 0.527,100 15.09,101 3.244,102 35.442,103 5.15,104 40,105 37,106 0.26,107 0.577,108 0.786,109 0.828,110 0.828,111 0.828,112 3.105,113 0.987,114 -0.07,115 -0.22,116 -0.4,121 35.6,122 1,123 1,125 1,126 4,127 1,130 1,144 3,145 1,146 2,161 1,176 5,179 1,180 5,182 1,183 2,187 6,189 2,192 6,200 5,203 2,206 3,211 2,214 3,216 2,218 1,219 4,224 2,227 2,229 1,232 1,234 1,237 1,243 1,244 2,247 1,249 2,258 1,263 1,281 496,282 13.444,283 13.444,284 13.444,285 13.444,286 13.444,287 12.628,288 22.015,289 7.331,290 13.854,291 11.223,292 11.223,293 11.223,294 11.223,295 11.223,296 9.833,297 29.826,298 3.367,299 11.853,300 4.018,301 2.221,302 1.034,303 0.795,304 0.795,305 0.795,306 3.769,311 1,312 1,313 349,314 3.674,317 70.322,318 41.942,320 57.057,321 62.509,324 86.926,325 1.224,326 15.534,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 45.5,338 165,339 4.909,340 4.11,341 8.167,342 4.804,343 3.842,344 4.228,345 2.186,346 15.951,347 3.712,348 4.191,349 3.66,350 7.028,351 3.974,352 3.039,353 3.47,354 1.25,355 11.413,356 2.83,357 3.833,358 3.361,359 6.179,360 3.555,361 2.607,362 3.04,363 0.8,364 8.753,365 2.471,366 3.631,367 2.747,368 5.634,369 3.391,370 2.454,371 2.764,372 0.366,373 7.43,374 2.276,375 3.393,376 2.604,377 5.365,378 3.026,379 2.062,380 2.577,382 6.053,383 1.967,384 2.822,385 1.887,386 4.739,387 2.56,388 1.606,389 1.874,391 5.009,392 1.524,393 2.519,394 1.186,395 4.344,396 2.136,397 1.143,398 1.525,400 3.089,401 1.134,402 1.819,403 1.106,404 3.781,405 1.737,406 0.768,407 0.8,409 1.929,410 0.742,411 1.509,412 0.924,413 3.156,414 1.308,415 0.395,416 0.419,418 0.611,419 0.356,420 1.24,421 0.668,422 3,423 0.876,424 -0.088,425 -0.099,427 -0.214,428 -0.083,429 0.858,430 0.1,431 2.951,432 0.718,433 -0.23,434 -0.261,436 -0.589,437 -0.216,438 0.681,439 -0.17,440 2.784,441 0.309,442 -0.677,443 -0.833,445 -1.881,446 -0.661,447 0.53,448 -0.587,449 2.359,450 0.083,451 -0.908,452 -1,454 -2.685,455 -0.893,457 -0.6,458 2.283,459 -0.041,460 -1,461 -1,463 -3,464 -0.9,466 -0.815,467 2.167,468 -0.1,469 -1,470 -1.234,472 -3.083,473 -0.953,474 9.867,475 0.47,476 0.879,477 0.042,478 23,479 1.095,480 8.5,481 0.405,482 14.5,483 0.69,484 20.403,485 0.972,486 24.633,487 0.547,488 16.807,489 0.8,490 4.447,491 0.212,492 5.346,493 0.255,494 0.287,495 0.091,496 0.294,501 0.855,502 1.766,503 0.912,504 1.382,505 0.641,506 1.179,507 0.823,508 0.703,509 0.793,510 0.616,511 0.361,512 0.66,513 0.898,514 1.496,515 1.115,516 1.399,517 0.654,518 1.308,519 1.02,520 0.856,521 1.044,522 0.896,523 0.751,524 0.952,525 0.593,526 1.315,527 1.144,528 1.448,529 0.735,530 1.394,531 0.761,532 0.69,533 0.696,534 0.731,535 0.669,536 0.718,537 1.154,538 1.094,539 0.922,540 1.085,541 1.119,542 1.001,543 2.631,544 0.784,545 1.417,546 0.725,547 3.255,548 0.887,549 7,551 4,552 3.771,553 1.531,554 0.757,555 0.568,556 0.328,557 0.217,558 0.065,559 3582,560 7771,561 1.968,562 53.3,563 3,564 17,565 1,567 1,569 2,572 1.636,573 1.75,574 2.91,575 -0.291,577 1,579 1,582 66.339,583 1.474,584 3.271,585 4.458,586 4.697,587 4.697,588 4.697,589 2.453,590 4.202,591 4.359,592 3.056,593 641.72,594 7.495,595 6423.33,597 1,600 247.133,601 1.884,602 4.251,603 0.304,605 0.108,606 0.097,607 0.045,608 0.033,609 0.032,610 0.022,611 0.018,612 0.009,613 0.668,614 0.83,615 1,616 1.353,617 91.968,618 -0.002,619 -0.408,620 0.086,621 -0.175,622 -0.052,623 -0.054,624 0.222,625 0.513,626 0.234,627 0.407,628 0.264,629 0.344,630 -0.073,631 -0.306,632 -0.149,633 -0.245,634 -0.005,635 -0.217,636 -0.14,637 0.146,638 -0.075,639 0.078,640 -0.004,641 0.026,642 0.044,643 -0.317,644 -0.226,645 -0.383,646 -0.045,647 -0.351,648 0.099,649 0.068,650 0.245,651 0.165,652 0.022,653 0.217,654 0.11,655 -0.209,656 0.085,657 -0.147,658 0.053,659 -0.057,660 -0.335,661 0.153,662 -0.254,663 0.092,664 -0.386,665 -0.059,666 2.092,667 4.41,668 0.571,669 14.671,670 0.994,671 1.139,672 -1.16,673 1.345,674 0.62,675 3.178,676 3.638,677 3.97,678 4.344,679 4.554,680 4.654,681 4.86,682 4.92,683 4.828,684 4.754,685 4.659,686 0.578,687 290.43,688 3.178,689 4.796,690 5.7,691 6.668,692 7.602,693 8.578,694 9.528,695 10.507,696 11.465,697 12.446,698 6.7,704 1,705 1,712 1,715 3,720 3,722 6,736 1,737 1,741 45,743 7,744 1,745 23,747 47,748 16,749 6,750 3,751 3,756 3,757 6,763 1,764 1,766 1,767 1,770 1,772 7,773 9,777 1,782 1,786 1,789 1,790 1,793 24,794 4,795 1,796 5,802 3,803 1,807 1,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,859 1,864 5,868 21,876 2,877 1,878 1,880 1,881 1,882 1,883 1,893 4.4,896 1,898 1,901 12,902 9.617,903 4.417,904 2.74,907 1.318,908 1.188,909 0.908,910 3.225,911 8.338,912 3.332,913 3.922,914 4.422,915 4.972,916 5.46,917 5.727,918 6.105,919 6.356,920 6.401,921 6.363,922 1,923 39,924 7.783,926 3.321,927 0.026,929 7.631,931 15.217,933 13.034,936 2.131,937 44.75,938 0.001,941 270.735,942 93.428,943 21.135,945 36.145,948 93.428,949 306.88,950 21.135,951 42.411,952 22.651,953 28.429,954 25.145,955 25.31,956 18.534,957 258.964,959 270.735,960 114.563,961 36.145,964 247.193,965 59.687,968 31.476,969 83.087,972 270.735,973 57.28,974 93.428,977 270.735,978 22.588,979 73.964,980 18.011,981 36.145,982 270.735,983 57.28,984 93.428,986 0.615,987 0.371,988 0.2,989 0.108,990 21,991 10,992 0.043,993 2,994 2,995 1.333,996 3.074,997 175.487,998 0.333,999 12,1000 90.239,1005 14.668,1006 4.617,1007 2.04,1009 57.28,1010 5.971,1015 3.151,1017 18.011,1018 421.443,1019 27,1024 11.41,1028 -0.425,1031 44.738,1032 51.273,1034 0.268,1035 0.596,1036 0.812,1037 0.855,1038 0.855,1039 0.855,1040 4.687,1041 0.768,1042 5.82,1043 3.089,1044 4.317,1045 4.605,1046 2.544,1047 6.849,1048 4.217,1049 5.951,1050 0.395,1051 7.533,1052 1.929,1053 4.443,1054 4.732,1055 2.064,1056 8.453,1057 4.292,1058 7.338,1059 -0.088,1060 9.366,1061 0.611,1062 6.213,1063 6.755,1064 3.583,1065 11.603,1066 6.022,1067 8.758,1068 -0.23,1069 11.271,1070 -0.214,1071 7.091,1072 7.584,1073 3.674,1074 13.985,1075 6.862,1076 10.211,1077 -0.677,1078 13.223,1079 -0.589,1080 8.502,1081 9.23,1082 4.936,1083 16.829,1084 8.241,1085 11.688,1086 -0.908,1087 15.208,1088 -1.881,1089 9.665,1090 10.361,1091 5.313,1092 19.469,1093 9.374,1094 13.185,1095 -1,1096 17.218,1097 -2.685,1098 10.995,1099 11.88,1100 6.397,1101 22.247,1102 10.676,1103 3.842,1104 -1,1105 19.245,1106 -3,1107 12.265,1108 13.157,1109 6.937,1110 24.971,1111 11.916,1112 3.039,1113 15.951,1114 21.287,1115 -3.083,1116 13.587,1117 14.627,1118 7.905,1119 27.737,1120 13.21,1121 2.607,1122 11.413,1123 23.339,1124 4.228,1125 14.897,1126 15.979,1127 8.542,1128 30.489,1129 14.49,1130 2.454,1131 8.753,1132 25.401,1133 3.47,1134 16.225,1135 17.43,1136 9.437,1137 33.254,1138 15.789,1139 2.062,1140 7.43,1141 27.469,1142 3.04,1143 17.553,1144 18.822,1145 10.131,1146 36.016,1147 17.086,1148 1.606,1149 6.053,1150 29.543,1151 2.764,1152 18.887,1153 20.265,1154 10.982,1155 38.783,1156 18.389,1157 1.143,1158 5.009,1159 31.621,1160 2.577,1161 20.223,1162 21.678,1163 11.711,1164 41.549,1165 19.694,1166 3672,1167 5518,1168 14.216,1169 27.921,1170 36.251,1171 37.202,1172 38.996,1173 35.843,1174 35.832,1175 41.392,1176 9.205,1177 120.475,1178 34.027,1179 5.873,1180 6.11,1181 7.718,1182 5.869,1183 5.842,1184 7.228,1185 3.889,1186 24.922,1187 5.712,1188 13.252,1189 1.576,1190 1.617,1191 1.695,1192 1.558,1193 1.558,1194 1.8,1195 0.4,1196 5.238,1197 1.479,1198 4.123,1199 4.169,1200 4.064,1201 4.012,1202 7.435,1203 4.019,1204 3.775,1205 3.821,1206 3.694,1207 3.62,1208 4.835,1209 3.629,1210 3.536,1211 3.598,1212 3.448,1213 3.227,1214 4.477,1215 3.269,1216 3.347,1217 3.431,1218 3.169,1219 3.157,1220 4.25,1221 3.15,1222 3.291,1223 3.387,1224 3.116,1225 3.059,1226 4.079,1227 3.059,1228 2.994,1229 3.107,1230 2.77,1231 2.791,1232 3.934,1233 2.757,1234 2.969,1235 3.014,1236 2.709,1237 2.697,1238 3.823,1239 2.7,1240 2.874,1241 3.009,1242 2.583,1243 2.618,1244 3.497,1245 2.599,1246 0.213,1247 0.179,1248 0.355,1249 0.209,1250 0.167,1251 4.909,1252 0.184,1253 4.11,1254 0.095,1255 8.167,1256 0.694,1257 4.804,1258 0.161,1259 3.842,1260 4.228,1261 2.186,1262 15.951,1263 3.712,1264 1.903,1265 1.884,1266 2.007,1267 2.015,1268 1.311,1269 2.01,1270 1.727,1271 1.647,1272 1.941,1273 1.968,1274 1.259,1275 1.967,1276 1.609,1277 1.551,1278 1.828,1279 1.785,1280 1.027,1281 1.803,1282 1.403,1283 1.332,1284 1.69,1285 1.731,1286 0.684,1287 1.717,1288 1.239,1289 1.143,1290 1.587,1291 1.504,1292 0.66,1293 1.536,1294 1.034,1295 0.925,1296 1.461,1297 1.302,1298 0.596,1299 1.363,1300 0.934,1301 0.833,1302 1.417,1303 1.239,1304 0.469,1305 1.308,1306 0.878,1307 0.804,1308 1.162,1309 1.209,1310 0.333,1311 1.176,1312 3.85,1314 5.273,1315 3.045,1316 6.891,1317 5.687,1318 8.604,1319 8.009,1320 10.377,1322 10.647,1328 2.302,1329 2.484,1330 5.296,1332 0.433,1333 2.381,1334 0.107,1335 0.993,1340 26.025,1341 66.339,1342 147.185,1343 200.604,1344 211.359,1345 211.359,1346 211.359,1347 32.662,1348 7.02,1349 41.57,1350 41.57,1351 16,1352 12.92,1353 3,1354 2.322,1355 32.076,1356 58,1357 70,1358 0.291,1359 160.197,1360 278.72,1361 382.641,1362 8369,1364 15.414,1365 0.734,1366 0.642,1367 15.414,1368 13.487,1369 9.793,1370 0.426,1371 0.329,1372 7.411,1373 9.291,1374 7.046,1375 5.931,1376 9.793,1377 7.564,1378 10.03,1379 0.271,1380 0.196,1381 10.03,1382 7.238,1383 8.354,1384 0.161,1385 0.104,1386 8.354,1387 5.398,1388 7.389,1389 0.097,1390 0.06,1391 7.389,1392 4.592,1393 5.763,1394 0.061,1395 0.033,1396 5.763,1397 3.127,1398 0.433,1399 62.151,1400 0.265,1401 20.071,1402 0.875,1403 120,1404 289.782,1405 133.053,1406 276.533,1407 383.55,1408 258,1409 149,1410 294.106,1411 163.308,1412 298.439,1413 441.76,1414 277,1415 8.469}
{0 CHEMBL539571,1 1.392,2 10.565,3 4.767,4 22.72,5 92.69,6 6.418,7 0.25,8 3.94,9 4.075,10 3.368,11 3.442,12 4.948,13 3.392,14 4.513,15 4.722,16 3.675,17 3.811,18 5.464,19 3.723,20 4.765,21 5.014,22 3.723,23 3.935,24 5.62,25 3.824,26 4.807,27 5.043,28 3.701,29 3.923,30 5.774,31 3.815,32 4.809,33 5.062,34 3.63,35 3.865,36 5.782,37 3.753,38 4.643,39 4.871,40 3.536,41 3.81,42 5.643,43 3.693,44 4.644,45 4.893,46 3.417,47 3.752,48 5.63,49 3.605,50 4.528,51 4.803,52 3.24,53 3.637,54 5.396,55 3.476,56 0.044,57 0.672,58 11.581,59 4.678,60 8.937,61 6.627,62 0.355,63 1.07,64 21.218,65 7.462,66 28.688,67 11.054,68 0.219,69 1.271,70 27.133,71 9.412,72 26.938,73 13.926,74 0.317,75 1.263,76 28.825,77 9.543,78 46.456,79 13.783,80 0.441,81 1.201,82 29.176,83 9.308,84 52.906,85 13.398,86 0.272,87 1.074,88 24.287,89 8.634,90 41.042,91 12.147,92 0.336,93 1.055,94 24.3,95 8.585,96 47.185,97 12.238,98 0.217,99 0.952,100 21.315,101 7.48,102 37.91,103 11.069,104 37,105 31,106 0.24,107 0.571,108 0.799,109 0.884,110 0.884,111 0.884,112 3.188,113 1.057,114 -4.48,115 -4.41,116 -4.15,121 38.8,122 2,123 4,127 3,129 1,142 1,143 1,144 3,145 2,146 1,161 1,176 9,179 3,180 4,185 3,187 9,192 3,197 4,200 6,206 10,211 1,214 4,219 8,222 1,224 1,227 6,232 4,239 9,244 5,247 2,251 8,256 1,264 7,269 2,274 2,277 7,281 764,282 15.801,283 15.801,284 15.801,285 15.801,286 15.801,287 14.764,288 21.677,289 9.767,290 16.12,291 11.718,292 11.718,293 11.718,294 11.718,295 11.718,296 9.981,297 26.066,298 4.448,299 12.183,300 4.223,301 2.296,302 0.975,303 0.48,304 0.48,305 0.48,306 3.851,311 1,312 1,313 491,314 4,317 57.557,318 63.938,321 101.36,325 1.584,326 19.543,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 49,338 243,339 4.382,340 3.786,341 6.547,342 4.083,343 3.097,344 3.981,345 2.208,346 10.365,347 3.058,348 3.971,349 3.358,350 6.036,351 3.718,352 2.79,353 3.18,354 0.911,355 8.611,356 2.57,357 3.568,358 2.659,359 5.3,360 3.251,361 2.305,362 2.798,363 0.655,364 6.771,365 2.176,366 3.485,367 2.498,368 5.098,369 2.945,370 1.98,371 2.331,372 0.44,373 5.927,374 1.907,375 3.143,376 2.28,377 4.197,378 2.566,379 1.573,380 2.006,381 0.13,382 3.721,383 1.553,384 2.755,385 2.128,386 4.064,387 2.437,388 1.456,389 1.731,391 3.404,392 1.427,393 2.576,394 1.431,395 3.454,396 2.232,397 1.252,398 1.519,400 2.581,401 1.221,402 2.321,403 1.375,404 3.353,405 2.147,406 1.158,407 1.292,409 2.321,410 1.135,411 2.02,412 0.996,413 3.197,414 1.728,415 0.741,416 0.888,418 1.629,419 0.729,420 1.699,421 0.679,422 2.742,423 1.432,424 0.454,425 0.455,427 0.631,428 0.443,429 1.458,430 0.566,431 2.441,432 1.17,433 0.208,434 0.276,436 0.358,437 0.199,438 1.142,439 0.418,440 2.435,441 0.822,442 -0.124,443 -0.137,445 -0.216,446 -0.117,447 0.835,448 -0.01,449 2.233,450 0.675,451 -0.334,452 -0.399,454 -0.623,455 -0.332,456 0.615,457 -0.333,458 2,459 0.205,460 -0.776,461 -1.003,463 -1.675,464 -0.755,465 0.571,466 -0.539,467 1.834,468 0.141,469 -0.858,470 -1.155,472 -2.081,473 -0.855,474 10.967,475 0.477,476 0.397,477 0.017,478 24,479 1.043,480 10,481 0.435,482 14,483 0.609,484 21.517,485 0.936,486 26.233,487 0.535,488 16.609,489 0.722,490 4.47,491 0.194,492 6.72,493 0.292,494 0.167,496 0.264,501 0.803,502 1.451,503 0.947,504 1.262,505 0.631,506 1.137,507 0.663,508 1.108,509 0.962,510 1.043,511 0.453,512 1.028,513 0.991,514 1.084,515 0.917,516 1.017,517 0.692,518 0.959,519 1.585,520 1.087,521 1.108,522 1.051,523 1.392,524 1.028,525 1.769,526 0.838,527 1.066,528 0.835,529 1.731,530 0.868,531 1.57,532 1.025,533 1.127,534 1.033,535 1.449,536 1.038,537 1.291,538 0.996,539 1.108,540 1.043,541 1.511,542 1.065,543 1.026,544 0.928,545 1.002,546 0.927,547 1.284,548 0.955,549 4,550 0.065,551 2.444,552 1.479,553 1.053,554 0.591,555 0.426,556 0.349,557 0.21,558 0.135,559 5195,560 11489,561 1.971,562 53.1,563 7,564 10,565 1,567 1,569 7,572 1.658,573 1.84,574 3.371,575 -0.369,582 68.199,583 1.392,584 3.319,585 4.64,586 5.135,587 5.135,588 5.135,589 2.877,590 4.263,591 4.489,592 3.488,593 882.579,594 7.738,595 10252.4,597 1,600 275.121,601 1.41,602 4.449,603 0.167,604 0.006,605 0.079,606 0.046,607 0.035,608 0.021,609 0.016,610 0.016,611 0.011,612 0.009,613 0.406,614 0.33,615 1,616 2.222,617 108.637,618 0.004,619 -0.184,620 0.045,621 -0.088,622 -0.002,623 -0.027,624 0.316,625 0.036,626 0.042,627 -0.008,628 0.17,629 -0.013,630 -0.008,631 -0.053,632 0.073,633 -0.025,634 0.029,635 0.029,636 -0.139,637 -0.087,638 -0.071,639 -0.077,640 -0.079,641 -0.066,642 -0.132,643 0.11,644 -0.012,645 0.103,646 -0.144,647 0.065,648 -0.172,649 -0.035,650 -0.103,651 -0.022,652 -0.135,653 -0.052,654 -0.023,655 -0.031,656 -0.1,657 -0.059,658 -0.117,659 -0.092,660 -0.093,661 0.04,662 -0.029,663 0.041,664 -0.07,665 0.018,666 1.938,667 5.265,668 0.391,669 20.612,670 0.989,671 1.131,672 3.251,673 10.57,674 0.634,675 3.219,676 3.466,677 3.714,678 3.932,679 4.078,680 4.143,681 4.234,682 4.344,683 4.248,684 4.22,685 6.043,686 0.588,687 314.47,688 3.219,689 4.71,690 5.533,691 6.385,692 7.238,693 8.103,694 8.968,695 9.84,696 10.712,697 11.588,698 4.1,700 1,705 1,715 3,720 3,722 6,737 1,741 49,743 8,744 1,745 24,747 50,748 19,749 6,750 3,751 3,756 2,757 3,763 2,767 3,770 5,771 2,772 7,773 10,777 1,782 1,786 1,793 26,794 4,795 1,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,836 1,837 1,853 1,859 1,864 2,868 23,876 7,877 1,878 1,880 1,881 1,885 1,886 1,891 1,893 4.1,896 1,898 1,901 12.5,902 9.2,903 5.5,904 3.424,907 1.448,908 1.219,909 0.923,910 6.795,911 8.069,912 3.434,913 3.839,914 4.28,915 4.739,916 5.184,917 5.378,918 5.668,919 5.925,920 5.838,921 5.936,922 1,923 32,924 8.531,926 3.431,927 0.026,929 7.674,931 16.6,933 13.176,936 2.174,937 50,940 1,941 294.278,942 121.263,943 21.135,945 36.145,948 121.263,949 330.422,950 21.135,951 17.65,952 19.58,953 46.439,954 25.145,955 22.614,956 58.885,957 282.506,959 294.278,960 142.398,961 36.145,964 211.88,965 118.543,968 55.241,969 70.127,970 17.031,972 294.278,973 57.28,974 121.263,977 294.278,978 34.832,979 49.203,980 35.041,981 59.466,982 294.278,983 57.28,984 121.263,986 0.548,987 0.325,988 0.176,989 0.095,990 12,991 6,992 0.16,993 8,994 1,995 1.222,996 3.501,997 168.474,998 0.222,999 9,1000 104.042,1005 17.688,1006 8.836,1007 4.653,1009 57.28,1010 5.911,1015 3.109,1017 18.011,1018 472.821,1019 30,1024 12.265,1028 -0.271,1031 48.461,1032 55.398,1034 0.248,1035 0.591,1036 0.826,1037 0.915,1038 0.915,1039 0.915,1040 4.659,1041 1.158,1042 5.485,1043 2.581,1044 4.143,1045 4.522,1046 2.503,1047 6.26,1048 4.069,1049 5.809,1050 0.741,1051 7.02,1052 2.321,1053 3.611,1054 4.182,1055 1.847,1056 7.125,1057 3.489,1058 7.082,1059 0.454,1060 8.662,1061 1.629,1062 5.687,1063 6.514,1064 3.569,1065 10.213,1066 5.534,1067 8.389,1068 0.208,1069 10.367,1070 0.631,1071 6.043,1072 7.049,1073 3.656,1074 11.933,1075 5.854,1076 9.73,1077 -0.124,1078 12.112,1079 0.358,1080 7.536,1081 8.849,1082 4.964,1083 14.517,1084 7.323,1085 11.094,1086 -0.334,1087 13.886,1088 -0.216,1089 8.302,1090 9.79,1091 5.37,1092 16.583,1093 8.069,1094 12.476,1095 -0.776,1096 15.679,1097 -0.623,1098 9.562,1099 11.376,1100 6.459,1101 18.997,1102 9.31,1103 3.097,1104 -0.858,1105 17.486,1106 -1.675,1107 10.517,1108 12.518,1109 7.028,1110 21.21,1111 10.254,1112 2.79,1113 10.365,1114 19.304,1115 -2.081,1116 11.683,1117 14.005,1118 7.994,1119 23.565,1120 11.406,1121 2.305,1122 8.611,1123 21.131,1124 3.981,1125 12.724,1126 15.253,1127 8.654,1128 25.843,1129 12.44,1130 1.98,1131 6.771,1132 22.964,1133 3.18,1134 13.854,1135 16.691,1136 9.549,1137 28.178,1138 13.561,1139 1.573,1140 5.927,1141 24.804,1142 2.798,1143 14.934,1144 17.996,1145 10.263,1146 30.485,1147 14.635,1148 1.456,1149 3.721,1150 26.648,1151 2.331,1152 16.053,1153 19.408,1154 11.116,1155 32.816,1156 15.747,1157 1.252,1158 3.404,1159 28.496,1160 2.006,1161 17.152,1162 20.746,1163 11.862,1164 35.137,1165 16.841,1166 5394,1167 8134,1168 15.603,1169 31.057,1170 35.254,1171 35.391,1172 36.311,1173 34.06,1174 34.026,1175 40.912,1176 8.689,1177 92.638,1178 32.837,1179 5.291,1180 5.786,1181 6.412,1182 5.167,1183 5.097,1184 6.981,1185 3.912,1186 17.024,1187 5.058,1188 12.396,1189 1.469,1190 1.475,1191 1.513,1192 1.419,1193 1.418,1194 1.705,1195 0.362,1196 3.86,1197 1.368,1198 4.033,1199 4.063,1200 3.973,1201 3.963,1202 7.433,1203 3.961,1204 3.769,1205 3.834,1206 3.657,1207 3.585,1208 5.432,1209 3.584,1210 3.585,1211 3.64,1212 3.477,1213 3.444,1214 4.81,1215 3.445,1216 3.513,1217 3.589,1218 3.353,1219 3.335,1220 4.335,1221 3.331,1222 3.393,1223 3.445,1224 3.249,1225 3.272,1226 4.218,1227 3.258,1228 3.184,1229 3.26,1230 3.018,1231 2.951,1232 4.052,1233 2.952,1234 3.036,1235 3.096,1236 2.851,1237 2.867,1238 3.986,1239 2.854,1240 2.962,1241 3.025,1242 2.767,1243 2.713,1244 3.666,1245 2.734,1246 0.183,1247 0.158,1248 0.273,1249 0.17,1250 0.129,1251 4.382,1252 0.166,1253 3.786,1254 0.092,1255 6.547,1256 0.432,1257 4.083,1258 0.127,1259 3.097,1260 3.981,1261 2.208,1262 10.365,1263 3.058,1264 1.894,1265 1.876,1266 1.995,1267 1.995,1268 1.277,1269 1.992,1270 1.728,1271 1.66,1272 1.976,1273 1.923,1274 1.187,1275 1.942,1276 1.636,1277 1.575,1278 1.855,1279 1.822,1280 1.174,1281 1.837,1282 1.516,1283 1.438,1284 1.823,1285 1.741,1286 1.006,1287 1.773,1288 1.43,1289 1.379,1290 1.652,1291 1.58,1292 0.729,1293 1.609,1294 1.182,1295 1.116,1296 1.543,1297 1.452,1298 0.715,1299 1.48,1300 1.073,1301 1.014,1302 1.286,1303 1.308,1304 0.443,1305 1.297,1306 0.89,1307 0.842,1308 1.161,1309 1.16,1310 0.268,1311 1.17,1312 3.892,1314 5.153,1315 2.398,1316 6.613,1317 4.727,1318 8.172,1319 6.823,1320 9.787,1322 4.086,1328 6.069,1329 3.343,1330 5.561,1332 0.252,1333 1.741,1337 5.324,1339 2.611,1340 28.794,1341 68.199,1342 162.617,1343 227.346,1344 251.611,1345 251.611,1346 251.611,1347 45.609,1348 6.621,1349 41.57,1350 41.57,1351 11,1352 12.128,1353 3.17,1354 2.807,1355 45.291,1356 82,1357 89,1358 0.273,1359 182.255,1360 325.38,1361 436.462,1362 5710,1364 16.656,1365 0.724,1366 0.613,1367 16.656,1368 14.1,1369 11.189,1370 0.466,1371 0.352,1372 8.364,1373 10.826,1374 8.12,1375 6.822,1376 11.189,1377 8.456,1378 9.106,1379 0.294,1380 0.188,1381 9.106,1382 5.838,1383 7.562,1384 0.189,1385 0.107,1386 7.562,1387 4.272,1388 6.051,1389 0.121,1390 0.059,1391 6.051,1392 2.931,1393 4.537,1394 0.078,1395 0.032,1396 4.537,1397 1.867,1398 0.428,1399 69.559,1400 0.253,1401 22.739,1402 0.746,1403 110,1404 297.449,1405 120.889,1406 286.6,1407 388.09,1408 268,1409 126,1410 282.134,1411 136.31,1412 284.079,1413 414.34,1414 267,1415 4.14}
{0 CHEMBL539599,1 1.35,2 17.432,3 10.895,4 118.705,5 187.311,6 7.134,7 0.44,8 4.549,9 4.677,10 4.094,11 4.174,12 5.447,13 4.106,14 5.158,15 5.344,16 4.496,17 4.633,18 5.996,19 4.531,20 5.504,21 5.745,22 4.608,23 4.818,24 6.285,25 4.683,26 5.544,27 5.8,28 4.584,29 4.797,30 6.32,31 4.657,32 5.524,33 5.773,34 4.502,35 4.805,36 6.262,37 4.654,38 5.586,39 5.849,40 4.499,41 4.831,42 6.282,43 4.647,44 5.6,45 5.878,46 4.382,47 4.792,48 6.27,49 4.578,50 5.51,51 5.796,52 4.261,53 4.672,54 6.176,55 4.441,56 0.084,57 1.223,58 19.647,59 8.68,60 10.336,61 12.244,62 0.188,63 2.138,64 38.851,65 16.041,66 24.513,67 22.734,68 0.378,69 2.873,70 60.979,71 22.301,72 43.863,73 31.765,74 0.563,75 3.002,76 63.101,77 22.238,78 53.855,79 32.174,80 0.434,81 2.965,82 58.916,83 21.828,84 41.534,85 31.563,86 0.443,87 2.99,88 65.225,89 25.203,90 44.115,91 35.923,92 0.457,93 2.915,94 72.274,95 26.114,96 47.253,97 36.688,98 0.446,99 2.558,100 71.241,101 24.571,102 47.036,103 34.095,104 10,105 71,106 0.201,107 0.495,108 0.677,109 0.797,110 0.827,111 0.841,112 3.81,113 1.06,114 -7.72,115 -7.48,116 -6.9,121 43.2,122 1,123 13,124 2,127 2,137 1,138 1,144 6,145 4,146 4,148 4,176 22,180 8,185 6,187 33,192 6,197 6,200 22,206 8,209 2,211 11,214 26,219 1,224 5,227 23,232 3,237 6,239 35,244 2,249 2,251 30,256 2,264 31,269 2,273 1,277 25,281 4030,282 30.377,283 30.377,284 30.377,285 30.377,286 30.377,287 27.493,288 31.608,289 18.187,290 30.873,291 24.822,292 24.822,293 24.822,294 24.822,295 24.822,296 20.25,297 33.857,298 8.809,299 25.736,300 5.11,301 3.127,302 1.901,303 1.099,304 0.895,305 0.804,306 4.537,308 2,313 1741,314 4.183,318 719.855,320 130.521,322 706.872,324 202.344,325 2.223,326 24.817,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.49,337 90.667,338 767,339 4.686,340 3.508,341 6.986,342 4.303,343 3.319,344 4.594,345 0.68,346 11.934,347 3.265,348 4.651,349 3.373,350 6.833,351 4.214,352 3.235,353 4.582,354 0.4,355 11.364,356 3.165,357 4.143,358 3.064,359 6.24,360 3.826,361 2.84,362 3.624,363 0.4,364 9.32,365 2.801,366 3.99,367 2.943,368 6.004,369 3.58,370 2.61,371 3.534,373 8.477,374 2.532,375 3.814,376 2.858,377 5.569,378 3.416,379 2.452,380 3.131,382 7.471,383 2.369,384 3.584,385 2.562,386 5.427,387 3.202,388 2.252,389 2.961,391 6.886,392 2.167,393 3.568,394 2.547,395 5.39,396 3.193,397 2.229,398 2.925,400 6.847,401 2.104,402 3.406,403 2.457,404 5.126,405 3.016,406 2.084,407 2.725,409 6.137,410 1.935,411 3.365,412 2.272,413 4.899,414 2.915,415 1.987,416 2.699,418 5.573,419 1.867,420 3.012,421 2.146,422 4.836,423 2.874,424 1.923,425 2.045,427 5.357,428 1.773,429 2.93,430 1.966,431 4.666,432 2.827,433 1.854,434 1.939,436 4.874,437 1.704,438 2.877,439 1.886,440 4.121,441 2.678,442 1.703,443 1.901,445 3.856,446 1.636,447 2.733,448 1.716,449 4.049,450 2.58,451 1.599,452 1.772,454 3.526,455 1.547,456 2.642,457 1.525,458 3.98,459 2.432,460 1.443,461 1.675,463 3.381,464 1.419,465 2.521,466 1.434,467 3.861,468 2.294,469 1.322,470 1.524,472 3.199,473 1.281,474 22.029,475 0.501,476 0.986,477 0.022,478 49.5,479 1.125,480 22,481 0.5,482 27.5,483 0.625,484 56.035,485 1.274,486 46.971,487 0.534,488 33.871,489 0.77,490 7.986,491 0.181,492 13.544,493 0.308,494 0.088,496 0.34,501 0.729,502 1.174,503 0.697,504 0.954,505 0.65,506 0.948,507 0.742,508 1.202,509 0.738,510 1,511 0.566,512 0.998,513 0.957,514 1.104,515 0.854,516 0.959,517 0.88,518 0.947,519 0.891,520 1.039,521 0.778,522 0.921,523 0.76,524 0.931,525 1.057,526 1.025,527 0.818,528 0.945,529 0.918,530 1.019,531 0.624,532 1.049,533 0.78,534 1.023,535 0.67,536 1.052,537 0.967,538 0.97,539 1.031,540 1.039,541 1.04,542 1.063,543 1.071,544 0.931,545 1.185,546 1.056,547 1.141,548 1.043,549 7.5,550 0.177,551 3.778,552 3.438,553 2.893,554 1.431,555 0.986,556 0.665,557 0.369,558 0.271,559 43736,560 92685,561 2.19,562 50,563 23,564 11,567 2,568 4,569 4,572 1.815,573 2.095,574 3.931,575 0.013,582 118.794,583 1.35,584 3.332,585 4.558,586 5.36,587 5.564,588 5.655,589 3.149,590 5.187,591 5.442,592 4.235,593 4005.97,594 9.582,595 82763.8,600 568.43,601 1.242,602 5.411,603 0.15,604 0.005,605 0.053,606 0.045,607 0.04,608 0.021,609 0.016,610 0.013,611 0.008,612 0.007,613 0.358,614 0.33,615 0.5,616 0.388,617 262.261,618 -0.005,619 -0.002,620 0.034,621 0.04,622 0.046,623 0.053,624 0.023,625 -0.104,626 0.036,627 -0.02,628 0.163,629 -0.007,630 -0.007,631 -0.063,632 0.024,633 0.007,634 0.031,635 0.03,636 0.108,637 0.015,638 0.045,639 0.015,640 0.123,641 0.024,642 -0.14,643 0.045,644 -0.06,645 -0.014,646 -0.128,647 -0.064,648 0.082,649 -0.064,650 0.022,651 -0.052,652 0.041,653 -0.063,654 -0.073,655 -0.02,656 -0.058,657 -0.048,658 -0.119,659 -0.07,660 -0.061,661 -0.022,662 -0.058,663 -0.037,664 -0.083,665 -0.036,666 0.907,667 2.272,668 0.705,669 51.7,670 0.984,671 1.12,672 6.488,673 42.094,674 0.679,675 3.932,676 4.277,677 4.595,678 4.956,679 5.283,680 5.46,681 5.631,682 5.817,683 5.892,684 5.914,685 10.774,686 0.623,687 627.76,688 3.932,689 5.493,690 6.365,691 7.268,692 8.162,693 9.077,694 9.982,695 10.904,696 11.815,697 12.74,698 4.5,703 2,708 2,714 4,715 6,716 2,720 8,722 22,734 2,740 2,741 88,743 23,744 2,745 50,747 94,748 38,749 18,750 6,751 6,756 7,757 16,758 2,763 1,767 7,768 2,770 13,772 20,773 18,774 2,777 1,784 1,786 1,793 44,794 4,795 2,796 6,797 2,802 4,808 0.286,822 2,829 7,831 1,833 4,835 1,849 1,850 1,859 2,864 1,865 2,868 44,876 15,877 2,880 2,892 2,901 21,902 15.936,903 9.5,904 6.23,907 5.054,908 1.52,909 1.023,910 9.239,911 14.774,912 4.143,913 4.771,914 5.398,915 6.057,916 6.699,917 7.115,918 7.529,919 7.958,920 8.287,921 8.359,922 0.909,923 77,924 16.386,926 7.086,927 0.026,929 7.365,931 33.112,933 29.151,936 1.865,937 82.056,941 494.386,942 149.338,943 69.593,944 78.297,948 149.338,949 572.684,950 69.593,951 8.825,952 37.16,953 66.334,954 69.593,955 37.019,957 494.386,958 78.297,959 494.386,960 218.931,962 78.297,964 447.302,965 47.084,968 55.787,969 84.075,970 157.366,972 494.386,973 69.593,974 227.636,977 494.386,978 74.179,979 75.159,980 36.022,981 111.868,982 494.386,983 69.593,984 227.636,986 0.579,987 0.336,988 0.199,989 0.12,990 36,991 15,992 0.117,993 11,994 6,995 1.355,996 5.463,997 462.674,998 0.387,999 30,1000 236.215,1005 30.176,1006 13.471,1007 6.589,1008 4.478,1009 69.593,1010 12.349,1011 10.095,1015 9.592,1017 36.022,1018 791.615,1019 62,1026 2.483,1028 1.535,1031 86.61,1032 98.6,1034 0.209,1035 0.516,1036 0.706,1037 0.83,1038 0.861,1039 0.876,1040 5.409,1041 2.084,1042 6.347,1043 6.847,1044 4.963,1045 5.46,1046 0.942,1047 7.191,1048 4.897,1049 6.611,1050 1.987,1051 7.914,1052 6.137,1053 4.511,1054 5.366,1056 8.129,1057 4.385,1058 7.931,1059 1.923,1060 9.584,1061 5.573,1062 6.572,1063 7.718,1064 0.425,1065 11.305,1066 6.463,1067 9.287,1068 1.854,1069 11.318,1070 5.357,1071 6.957,1072 8.481,1074 13.12,1075 6.812,1076 10.681,1077 1.703,1078 13.095,1079 4.874,1080 8.477,1081 10.326,1082 0.194,1083 15.817,1084 8.336,1085 12.102,1086 1.599,1087 14.903,1088 3.856,1089 9.282,1090 11.492,1092 18.007,1093 9.118,1094 13.544,1095 1.443,1096 16.734,1097 3.526,1098 10.582,1099 13.139,1100 0.09,1101 20.543,1102 10.414,1103 3.319,1104 1.322,1105 18.583,1106 3.381,1107 11.591,1108 14.496,1110 22.889,1111 11.405,1112 3.235,1113 11.934,1114 20.447,1115 3.199,1116 12.807,1117 16.064,1118 0.042,1119 25.371,1120 12.61,1121 2.84,1122 11.364,1123 22.322,1124 4.594,1125 13.911,1126 17.511,1128 27.783,1129 13.697,1130 2.61,1131 9.32,1132 24.206,1133 4.582,1134 15.099,1135 19.048,1136 0.019,1137 30.249,1138 14.87,1139 2.452,1140 8.477,1141 26.098,1142 3.624,1143 16.245,1144 20.535,1146 32.688,1147 16,1148 2.252,1149 7.471,1150 27.997,1151 3.534,1152 17.425,1153 22.062,1154 0.009,1155 35.15,1156 17.164,1157 2.229,1158 6.886,1159 29.901,1160 3.131,1161 18.592,1162 23.568,1164 37.602,1165 18.313,1166 39174,1167 57299,1168 34.501,1169 59.728,1170 74.679,1171 75.578,1172 76.49,1173 74.8,1174 74.419,1175 93.116,1176 2.96,1177 217.159,1178 71.604,1179 5.655,1180 5.508,1181 6.909,1182 5.345,1183 5.319,1184 7.594,1185 1.36,1186 19.51,1187 5.265,1188 16.931,1189 1.494,1190 1.512,1191 1.53,1192 1.496,1193 1.488,1194 1.862,1195 0.059,1196 4.343,1197 1.432,1198 4.158,1199 4.188,1200 4.156,1201 4.089,1202 5.056,1203 4.091,1204 4.098,1205 4.126,1206 4.11,1207 4.032,1208 5.021,1209 4.035,1210 3.874,1211 3.908,1212 3.867,1213 3.813,1214 4.698,1215 3.802,1216 3.782,1217 3.847,1218 3.778,1219 3.668,1220 4.684,1221 3.652,1222 3.736,1223 3.78,1224 3.629,1225 3.651,1226 4.431,1227 3.633,1228 3.607,1229 3.682,1230 3.579,1231 3.457,1232 4.281,1233 3.445,1234 3.471,1235 3.522,1236 3.444,1237 3.378,1238 4.229,1239 3.367,1240 3.378,1241 3.456,1242 3.367,1243 3.22,1244 4.155,1245 3.212,1246 0.094,1247 0.07,1248 0.14,1249 0.086,1250 0.066,1251 4.686,1252 0.092,1253 3.508,1254 0.014,1255 6.986,1256 0.239,1257 4.303,1258 0.065,1259 3.319,1260 4.594,1261 0.68,1262 11.934,1263 3.265,1264 2.098,1265 2.073,1266 2.188,1267 2.182,1268 1.536,1269 2.186,1270 2.07,1271 2.047,1272 2.149,1273 2.158,1274 1.438,1275 2.159,1276 1.881,1277 1.851,1278 2.044,1279 1.975,1280 1.402,1281 1.998,1282 1.793,1283 1.731,1284 1.996,1285 1.948,1286 1.224,1287 1.976,1288 1.75,1289 1.709,1290 1.927,1291 1.863,1292 1.171,1293 1.892,1294 1.612,1295 1.542,1296 1.871,1297 1.804,1298 1.137,1299 1.831,1300 1.469,1301 1.425,1302 1.692,1303 1.618,1304 0.921,1305 1.644,1306 1.368,1307 1.296,1308 1.644,1309 1.584,1310 0.914,1311 1.613,1312 4.615,1314 5.953,1316 7.498,1318 9.157,1320 10.882,1322 2.298,1323 12.682,1328 17.626,1329 7.715,1332 1.202,1340 54.803,1341 118.794,1342 293.214,1343 401.107,1344 471.675,1345 489.675,1346 497.675,1347 69.088,1348 9.72,1349 49.84,1350 49.84,1351 42,1352 13.248,1353 4.585,1354 3.7,1355 60.869,1356 301,1357 226,1358 0.096,1359 335.167,1360 581.22,1361 809.568,1362 372905,1363 2.3,1364 30.045,1365 0.683,1366 0.624,1367 31.045,1368 27.465,1369 21.53,1370 0.431,1371 0.353,1372 16.903,1373 20.654,1374 16.438,1375 13.557,1376 22.107,1377 17.669,1378 19.609,1379 0.276,1380 0.201,1381 20.426,1382 14.251,1383 16.556,1384 0.169,1385 0.107,1386 17.081,1387 10.507,1388 15.075,1389 0.107,1390 0.06,1391 15.544,1392 8.393,1393 13.088,1394 0.067,1395 0.033,1396 13.551,1397 6.458,1398 0.16,1399 137.256,1400 0.17,1401 39.696,1402 0.242,1403 242,1404 498.363,1405 280.588,1406 561.913,1407 781.55,1408 530,1409 290,1410 553.74,1411 318.177,1412 587.411,1413 872.18,1414 559,1415 9.398}
{0 CHEMBL539624,1 1.49,2 10.5,3 2.618,4 6.855,5 104.918,6 6.937,7 0.387,8 4.101,9 4.226,10 3.615,11 3.605,12 5.128,13 3.578,14 4.694,15 4.88,16 4.059,17 4.059,18 5.724,19 4.021,20 4.994,21 5.181,22 4.163,23 4.272,24 6.004,25 4.204,26 5.149,27 5.388,28 4.105,29 4.309,30 6.125,31 4.207,32 5.141,33 5.384,34 3.905,35 4.19,36 6.166,37 4.054,38 5.018,39 5.311,40 3.688,41 3.903,42 5.959,43 3.777,44 4.516,45 4.718,46 3.578,47 3.641,48 5.661,49 3.583,50 4.415,51 4.607,52 3.517,53 3.653,54 5.531,55 3.584,56 0.07,57 0.804,58 12.492,59 5.097,60 8.145,61 7.063,62 0.389,63 1.344,64 24.289,65 8.658,66 36.06,67 12.323,68 0.336,69 1.72,70 33.179,71 11.836,72 51.046,73 16.566,74 0.372,75 1.908,76 39.828,77 13.183,78 51.227,79 19.294,80 0.441,81 1.718,82 40.312,83 13.725,84 78.677,85 19.408,86 0.61,87 1.338,88 37.787,89 11.547,90 79.849,91 16.505,92 0.508,93 0.924,94 21.884,95 6.976,96 56.166,97 9.35,98 0.338,99 0.925,100 19.05,101 6.292,102 39.539,103 8.659,104 38,105 48,106 0.247,107 0.58,108 0.795,109 0.872,110 0.884,111 0.884,112 3.375,113 0.957,114 -1.51,115 -1.59,116 -1.63,121 40,122 2,123 2,125 1,126 2,127 1,130 1,144 7,145 2,146 3,161 1,176 11,178 1,179 1,180 5,182 1,183 2,185 2,187 12,189 2,192 6,193 1,197 3,200 10,201 2,203 2,206 7,211 4,214 6,215 2,216 2,218 1,219 10,224 2,227 3,228 2,229 1,232 5,234 1,237 1,239 4,240 1,243 1,244 2,245 1,247 1,249 2,251 10,258 1,263 1,264 12,269 2,270 1,275 1,277 11,281 1114,282 18.374,283 18.374,284 18.374,285 18.374,286 18.374,287 16.807,288 27.091,289 10.295,290 18.734,291 15.194,292 15.194,293 15.194,294 15.194,295 15.194,296 12.722,297 36.932,298 4.76,299 15.79,300 4.291,301 2.291,302 0.994,303 0.528,304 0.455,305 0.455,306 4.062,310 1,311 1,312 1,313 638,314 3.937,317 108.423,318 153.688,320 87.672,321 93.043,324 130.328,325 1.571,326 28.049,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 60.5,338 294,339 4.909,340 4.105,341 8.167,342 4.808,343 3.842,344 4.228,345 2.186,346 15.951,347 3.722,348 4.223,349 3.682,350 7.028,351 3.989,352 3.039,353 3.813,354 1.181,355 11.413,356 2.877,357 4.182,358 3.348,359 6.18,360 3.849,361 2.872,362 3.469,363 0.792,364 9.094,365 2.808,366 3.817,367 2.97,368 6.154,369 3.544,370 2.587,371 3.032,372 0.366,373 8.751,374 2.473,375 3.624,376 2.745,377 5.633,378 3.372,379 2.436,380 2.762,382 7.423,383 2.262,384 3.387,385 2.599,386 5.366,387 3.018,388 2.048,389 2.581,391 6.105,392 1.967,393 2.917,394 1.886,395 4.823,396 2.585,397 1.628,398 2.088,400 5.239,401 1.554,402 2.855,403 1.801,404 4.353,405 2.507,406 1.511,407 1.959,409 3.829,410 1.502,411 2.798,412 1.494,413 4.228,414 2.367,415 1.377,416 1.86,418 3.089,419 1.358,420 2.519,421 1.186,422 3.781,423 2.136,424 1.142,425 1.523,427 3.004,428 1.134,429 1.818,430 0.938,431 3.616,432 1.736,433 0.764,434 0.797,436 1.926,437 0.741,438 1.731,439 0.762,440 3.157,441 1.526,442 0.531,443 0.616,445 0.907,446 0.528,447 1.259,448 0.635,449 3.002,450 0.987,451 0.062,452 0.07,454 0.154,455 0.057,456 1.139,457 0.29,458 3,459 0.814,460 -0.156,461 -0.167,463 -0.39,464 -0.149,465 0.858,466 0.085,467 2.825,468 0.713,469 -0.259,470 -0.314,472 -0.616,473 -0.25,474 13.2,475 0.471,476 0.999,477 0.036,478 33.5,479 1.196,480 15,481 0.536,482 18.5,483 0.661,484 27.473,485 0.981,486 31.2,487 0.567,488 26.099,489 0.932,490 6.336,491 0.226,492 6.923,493 0.247,494 0.202,495 0.068,496 0.295,501 0.656,502 1.433,503 0.828,504 1.179,505 0.576,506 1.049,507 0.707,508 0.935,509 0.773,510 0.843,511 0.525,512 0.806,513 1.162,514 1.286,515 1.075,516 1.152,517 1.175,518 1.112,519 1.03,520 1.062,521 1.071,522 1.071,523 0.787,524 1.058,525 1.191,526 1.145,527 1.153,528 1.226,529 1.312,530 1.195,531 1.432,532 0.642,533 0.813,534 0.654,535 1.265,536 0.654,537 1.736,538 0.871,539 1.094,540 0.845,541 1.602,542 0.889,543 1.535,544 0.939,545 1.234,546 0.954,547 1.778,548 1.035,549 8,550 0.245,551 4.667,552 4.271,553 1.993,554 0.993,555 0.709,556 0.332,557 0.336,558 0.276,559 9540,560 22036,561 2.034,562 49.1,563 8,564 15,565 1,567 1,569 2,572 1.709,573 1.846,574 3.337,575 -0.358,576 1,577 1,582 81.976,583 1.49,584 3.49,585 4.787,586 5.254,587 5.326,588 5.326,589 2.717,590 4.593,591 4.782,592 3.539,593 1337.65,594 8.305,595 17414.6,597 1,599 1,600 317.975,601 1.788,602 4.696,603 0.258,604 0.01,605 0.097,606 0.084,607 0.043,608 0.029,609 0.024,610 0.012,611 0.013,612 0.011,613 0.582,614 0.5,615 1,616 0.82,617 139.768,618 0.089,619 -0.178,620 0.077,621 -0.062,622 -0.05,623 -0.01,624 0.212,625 0.23,626 0.185,627 0.183,628 0.159,629 0.184,630 -0.095,631 -0.198,632 -0.106,633 -0.122,634 -0.109,635 -0.122,636 -0.102,637 -0.016,638 -0.096,639 -0.101,640 0.034,641 -0.088,642 -0.062,643 -0.205,644 -0.156,645 -0.25,646 -0.089,647 -0.221,648 -0.048,649 0.16,650 0.246,651 0.259,652 -0.041,653 0.29,654 -0.022,655 0.087,656 -0.03,657 0.123,658 -0.083,659 0.046,660 -0.183,661 0.144,662 -0.222,663 0.03,664 -0.245,665 -0.086,666 2.176,667 5.926,668 0.643,669 24.056,670 0.998,671 1.129,672 0.282,673 0.08,674 0.646,675 3.466,676 3.892,677 4.22,678 4.575,679 4.771,680 4.836,681 5.017,682 5.094,683 5.094,684 5.176,685 6.438,686 0.61,687 381.52,688 3.466,689 5.069,690 5.964,691 6.911,692 7.829,693 8.784,694 9.717,695 10.677,696 11.62,697 12.584,698 5.5,704 1,705 1,712 1,715 7,720 5,722 12,736 1,737 1,741 55,743 13,744 2,745 31,747 58,748 22,749 12,750 5,751 7,756 4,757 7,763 2,764 1,766 1,767 1,770 2,772 13,773 9,777 1,782 1,786 1,789 1,790 1,793 27,794 5,795 1,796 6,802 3,803 1,807 1,808 0.5,809 3,825 1,828 2,829 2,831 1,832 1,835 1,859 2,864 4,868 28,876 3,877 1,878 1,880 1,881 1,882 1,883 1,893 5.5,896 1,898 1,900 1,901 15.167,902 11.093,903 5.944,904 3.526,907 2.235,908 1.286,909 0.938,910 4.556,911 10.063,912 3.664,913 4.263,914 4.787,915 5.344,916 5.82,917 5.985,918 6.321,919 6.587,920 6.734,921 6.946,922 0.857,923 51,924 10.448,926 4.596,927 0.026,929 7.735,931 20.082,933 17.213,936 2.235,937 62.583,940 1,941 306.049,942 131.842,943 21.135,945 62.981,948 131.842,949 369.03,950 21.135,951 34.443,952 52.022,953 66.334,954 25.145,955 31.252,956 18.534,957 294.278,959 306.049,960 152.977,961 62.981,964 309.343,965 59.687,968 42.836,969 110.141,972 306.049,973 84.116,974 131.842,977 306.049,978 31.065,979 103.901,980 18.011,981 62.981,982 306.049,983 84.116,984 131.842,986 0.605,987 0.367,988 0.208,989 0.108,990 26,991 12,992 0.069,993 4,994 2,995 1.222,996 3.803,997 256.746,998 0.222,999 18,1000 134.606,1005 19.099,1006 6.679,1007 3.066,1009 84.116,1010 13.353,1015 4.433,1017 18.011,1018 522.007,1019 38,1024 12.428,1028 -0.509,1031 54.891,1032 62.106,1034 0.258,1035 0.604,1036 0.828,1037 0.909,1038 0.921,1039 0.921,1040 4.984,1041 1.511,1042 6.047,1043 5.239,1044 4.575,1045 4.949,1046 2.525,1047 7.033,1048 4.499,1049 6.231,1050 1.377,1051 7.727,1052 3.829,1053 4.575,1054 4.945,1055 2.026,1056 8.541,1057 4.454,1058 7.596,1059 1.142,1060 9.528,1061 3.089,1062 6.405,1063 7.106,1064 3.568,1065 11.688,1066 6.254,1067 8.995,1068 0.764,1069 11.405,1070 3.004,1071 7.201,1072 7.831,1073 3.654,1074 14.027,1075 7.012,1076 10.429,1077 0.531,1078 13.333,1079 1.926,1080 8.629,1081 9.567,1082 4.928,1083 16.861,1084 8.412,1085 11.888,1086 0.062,1087 15.298,1088 0.907,1089 9.747,1090 10.622,1091 5.305,1092 19.486,1093 9.497,1094 13.368,1095 -0.156,1096 17.289,1097 0.154,1098 11.074,1099 12.19,1100 6.394,1101 22.258,1102 10.797,1103 3.842,1104 -0.259,1105 19.302,1106 -0.39,1107 12.319,1108 13.411,1109 6.935,1110 24.977,1111 12.012,1112 3.039,1113 15.951,1114 21.332,1115 -0.616,1116 13.634,1117 14.902,1118 7.904,1119 27.74,1120 13.298,1121 2.872,1122 11.413,1123 23.375,1124 4.228,1125 14.931,1126 16.213,1127 8.54,1128 30.491,1129 14.566,1130 2.587,1131 9.094,1132 25.428,1133 3.813,1134 16.253,1135 17.668,1136 9.436,1137 33.255,1138 15.858,1139 2.436,1140 8.751,1141 27.49,1142 3.469,1143 17.573,1144 19.029,1145 10.13,1146 36.017,1147 17.148,1148 2.048,1149 7.423,1150 29.559,1151 3.032,1152 18.903,1153 20.467,1154 10.982,1155 38.783,1156 18.448,1157 1.628,1158 6.105,1159 31.634,1160 2.762,1161 20.235,1162 21.857,1163 11.71,1164 41.549,1165 19.75,1166 9156,1167 14034,1168 19.879,1169 35.517,1170 48.203,1171 48.769,1172 50.648,1173 47.689,1174 47.677,1175 57.597,1176 9.05,1177 153.771,1178 45.961,1179 5.873,1180 6.105,1181 7.862,1182 5.9,1183 5.842,1184 7.228,1185 3.889,1186 24.922,1187 5.722,1188 16.465,1189 1.555,1190 1.573,1191 1.634,1192 1.538,1193 1.538,1194 1.858,1195 0.292,1196 4.96,1197 1.483,1198 4.119,1199 4.16,1200 4.064,1201 4.008,1202 7.435,1203 4.016,1204 3.939,1205 3.972,1206 3.876,1207 3.868,1208 7.236,1209 3.864,1210 3.748,1211 3.788,1212 3.674,1213 3.592,1214 4.836,1215 3.602,1216 3.421,1217 3.48,1218 3.359,1219 3.242,1220 4.737,1221 3.216,1222 3.38,1223 3.442,1224 3.179,1225 3.122,1226 4.39,1227 3.167,1228 3.299,1229 3.389,1230 3.121,1231 3.084,1232 4.081,1233 3.082,1234 3.249,1235 3.321,1236 3.1,1237 2.999,1238 4.02,1239 3.02,1240 2.98,1241 3.095,1242 2.711,1243 2.768,1244 3.928,1245 2.734,1246 0.158,1247 0.132,1248 0.263,1249 0.155,1250 0.124,1251 4.909,1252 0.136,1253 4.105,1254 0.071,1255 8.167,1256 0.515,1257 4.808,1258 0.12,1259 3.842,1260 4.228,1261 2.186,1262 15.951,1263 3.722,1264 1.928,1265 1.901,1266 2.051,1267 2.03,1268 1.31,1269 2.035,1270 1.899,1271 1.878,1272 2.004,1273 1.99,1274 1.211,1275 1.993,1276 1.661,1277 1.598,1278 1.854,1279 1.929,1280 1.154,1281 1.91,1282 1.589,1283 1.522,1284 1.821,1285 1.774,1286 1.025,1287 1.795,1288 1.423,1289 1.346,1290 1.738,1291 1.63,1292 0.841,1293 1.668,1294 1.261,1295 1.21,1296 1.583,1297 1.563,1298 0.648,1299 1.551,1300 1.153,1301 1.085,1302 1.454,1303 1.446,1304 0.57,1305 1.434,1306 1.017,1307 0.903,1308 1.315,1309 1.292,1310 0.353,1311 1.354,1312 4.143,1314 5.541,1315 3.045,1316 7.136,1317 5.687,1318 8.827,1319 8.009,1320 10.575,1322 7.907,1328 2.229,1329 2.831,1330 5.572,1332 -0.15,1333 2.08,1334 -0.245,1335 -0.272,1340 33.53,1341 81.976,1342 191.961,1343 263.304,1344 288.955,1345 292.955,1346 292.955,1347 57.392,1348 7.828,1349 58.64,1350 58.64,1351 22,1352 13.068,1353 3.807,1354 3,1355 42.604,1356 110,1357 100,1358 0.194,1359 204.108,1360 358.81,1361 489.784,1362 26917,1364 20.104,1365 0.718,1366 0.603,1367 20.104,1368 16.882,1369 13.259,1370 0.428,1371 0.319,1372 9.744,1373 12.719,1374 9.394,1375 7.799,1376 13.259,1377 9.891,1378 13.07,1379 0.272,1380 0.175,1381 13.07,1382 8.413,1383 10.953,1384 0.163,1385 0.097,1386 10.953,1387 6.503,1388 9.968,1389 0.104,1390 0.054,1391 9.968,1392 5.231,1393 7.697,1394 0.066,1395 0.029,1396 7.697,1397 3.434,1398 0.303,1399 83.299,1400 0.224,1401 26.492,1402 0.533,1403 158,1404 425.755,1405 174.487,1406 405.131,1407 554.19,1408 378,1409 194,1410 414.183,1411 211.743,1412 415.134,1413 616.08,1414 390,1415 6.903}
{0 CHEMBL540131,1 1.487,2 20.093,3 5.199,4 27.026,5 173.163,6 6.77,7 0.37,8 4.556,9 4.695,10 4.031,11 4.063,12 5.531,13 4.013,14 5.145,15 5.351,16 4.378,17 4.469,18 6.06,19 4.386,20 5.464,21 5.71,22 4.492,23 4.658,24 6.346,25 4.547,26 5.541,27 5.788,28 4.438,29 4.682,30 6.438,31 4.544,32 5.611,33 5.904,34 4.335,35 4.631,36 6.425,37 4.471,38 5.467,39 5.748,40 4.329,41 4.537,42 6.337,43 4.397,44 5.299,45 5.527,46 4.308,47 4.513,48 6.295,49 4.378,50 5.333,51 5.576,52 4.129,53 4.483,54 6.264,55 4.313,56 0.097,57 1.281,58 21.161,59 8.541,60 11.178,61 12.123,62 0.373,63 2.051,64 40.219,65 14.093,66 34.97,67 20.741,68 0.646,69 2.572,70 58.126,71 18.743,72 62.769,73 27.751,74 0.6,75 2.726,76 61.881,77 20.254,78 76.01,79 30.032,80 0.736,81 2.691,82 66.786,83 20.978,84 86.195,85 31.461,86 0.848,87 2.325,88 59.198,89 18.485,90 82.683,91 27.308,92 0.588,93 2.096,94 51.313,95 17.457,96 74.497,97 24.6,98 0.552,99 2.076,100 53.988,101 18.073,102 77.968,103 25.34,104 50,105 62,106 0.222,107 0.522,108 0.729,109 0.815,110 0.831,111 0.831,112 3.787,113 1.071,114 -1.79,115 -1.85,116 -1.86,121 37.8,122 3,123 8,127 6,144 7,145 3,146 3,148 2,160 2,173 1,176 13,180 8,183 2,185 5,187 16,189 3,192 8,194 1,195 1,197 9,200 9,206 8,209 1,211 11,214 11,219 7,222 1,224 8,227 11,229 2,231 1,232 3,235 1,237 3,239 15,241 2,243 1,244 6,247 1,248 1,249 1,251 22,253 1,256 3,260 1,264 20,268 1,269 4,271 1,272 1,274 1,276 1,277 13,281 4332,282 29.336,283 29.336,284 29.336,285 29.336,286 29.336,287 27.053,288 32.638,289 17.261,290 30.006,291 22.392,292 22.392,293 22.392,294 22.392,295 22.392,296 18.701,297 28.3,298 7.89,299 23.348,300 5.004,301 2.999,302 1.613,303 1.034,304 0.928,305 0.928,306 4.481,308 1,312 1,313 1837,314 5.477,318 548.838,322 431.761,325 3.203,326 39.541,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 91.833,338 864,339 4.651,340 3.681,341 7.172,342 4.22,343 3.311,344 4.582,345 1.886,346 12.409,347 3.168,348 4.312,349 3.572,350 6.833,351 4.215,352 3.236,353 3.767,354 1.2,355 11.365,356 3.008,357 4.187,358 3.557,359 6.029,360 3.822,361 2.822,362 3.534,363 1.058,364 8.588,365 2.818,366 3.99,367 3.362,368 6.004,369 3.58,370 2.611,371 3.312,372 0.86,373 8.477,374 2.532,375 3.724,376 2.943,377 5.433,378 3.402,379 2.402,380 3.065,382 6.915,383 2.401,384 3.677,385 2.862,386 5.313,387 3.346,388 2.394,389 2.974,391 6.858,392 2.26,393 3.553,394 2.549,395 5.026,396 3.152,397 2.202,398 2.813,400 6.049,401 2.072,402 3.358,403 2.24,404 4.896,405 2.874,406 1.967,407 2.687,409 5.562,410 1.743,411 2.949,412 2.045,413 4.233,414 2.761,415 1.782,416 2.013,418 4.058,419 1.702,420 2.698,421 1.855,422 4.12,423 2.463,424 1.485,425 1.722,427 3.409,428 1.44,429 2.655,430 1.559,431 3.89,432 2.429,433 1.439,434 1.668,436 3.318,437 1.417,438 2.5,439 1.514,440 3.766,441 2.25,442 1.257,443 1.5,445 3.128,446 1.246,447 2.49,448 1.434,449 3.698,450 2.155,451 1.21,452 1.489,454 2.685,455 1.135,456 2.278,457 1.426,458 3.581,459 2.07,460 1.088,461 1.267,463 2.588,464 1.059,465 2.189,466 1.279,467 3.414,468 2,469 1,470 1.163,472 2.275,473 1,474 20.714,475 0.482,476 0.884,477 0.021,478 46.75,479 1.087,480 20,481 0.465,482 26.75,483 0.622,484 50.183,485 1.167,486 49.186,487 0.547,488 37.341,489 0.868,490 8.528,491 0.198,492 12.346,493 0.287,494 0.139,495 0.019,496 0.241,501 0.743,502 1.409,503 0.809,504 1.174,505 0.57,506 1.094,507 0.865,508 1.221,509 0.841,510 1.034,511 0.531,512 1.012,513 1.06,514 1.018,515 0.917,516 0.916,517 0.858,518 0.919,519 1.048,520 1.216,521 0.976,522 1.142,523 1.06,524 1.133,525 1.073,526 0.907,527 0.795,528 0.842,529 0.967,530 0.868,531 1.11,532 0.792,533 0.793,534 0.754,535 1.006,536 0.792,537 1.076,538 1.062,539 1.141,540 1.153,541 1.444,542 1.136,543 1.29,544 1.07,545 1.312,546 1.2,547 1.681,548 1.208,549 8.5,550 0.215,551 4.889,552 2.625,553 1.893,554 1.264,555 1.014,556 0.462,557 0.439,558 0.329,559 40276,560 88242,561 2.028,562 52.2,563 10,564 19,567 3,568 4,569 11,572 1.807,573 1.904,574 4.164,575 0.687,582 133.863,583 1.487,584 3.493,585 4.879,586 5.458,587 5.564,588 5.564,589 3.589,590 4.973,591 5.402,592 4.492,593 4056.5,594 9.495,595 86708.2,600 584.267,601 1.451,602 5.355,603 0.185,604 0.006,605 0.079,606 0.039,607 0.032,608 0.023,609 0.019,610 0.009,611 0.01,612 0.009,613 0.41,614 0.33,615 0.75,616 1.295,617 259.494,618 0.018,619 -0.093,620 0.037,621 -0.039,622 -0.002,623 -0.001,624 0.037,625 -0.051,626 0.042,628 0.101,629 0.011,630 -0.028,631 0.04,632 0.03,633 0.069,634 0.03,635 0.067,636 -0.05,637 -0.172,638 -0.081,639 -0.161,640 -0.051,641 -0.148,642 -0.048,643 0.036,644 0.074,645 0.077,646 -0.046,647 0.079,648 0.035,649 0.154,650 0.131,651 0.185,652 0.023,653 0.163,654 0.018,655 -0.03,656 -0.085,657 -0.103,658 -0.033,659 -0.115,660 -0.153,661 -0.088,662 -0.22,663 -0.162,664 -0.21,665 -0.196,666 1.763,667 5.598,668 0.465,669 66.424,670 0.992,671 1.133,672 0.557,673 0.311,674 0.64,675 3.85,676 4.143,677 4.394,678 4.575,679 4.796,680 4.905,681 5.024,682 5.094,683 5.176,684 5.112,685 12.083,686 0.593,687 609.31,688 3.85,689 5.38,690 6.217,691 7.077,692 7.932,693 8.802,694 9.666,695 10.542,696 11.413,697 12.294,698 5.6,703 1,705 2,708 1,712 1,714 2,715 7,716 1,720 6,722 17,729 1,739 1,740 1,741 90,743 19,744 2,745 46,747 93,748 34,749 15,750 5,751 7,752 1,756 4,757 7,758 1,763 3,767 4,770 8,772 17,773 17,777 2,782 2,786 2,793 47,794 7,795 3,796 9,797 1,802 5,803 1,806 1,807 1,808 0.5,809 3,822 1,829 4,833 2,859 2,864 3,865 1,868 43,876 14,877 3,878 1,883 1,892 1,893 3.3,896 2,898 1,901 22.583,902 16.676,903 9.889,904 6.407,907 3.297,908 1.391,909 0.946,910 12.656,911 11.72,912 4.052,913 4.585,914 5.119,915 5.646,916 6.225,917 6.554,918 6.896,919 7.2,920 7.497,921 7.413,922 0.923,923 68,924 16.016,926 6.636,927 0.026,929 7.623,931 31.323,933 25.61,936 2.123,937 91.278,941 517.928,942 162.962,943 70.573,944 39.149,945 61.29,948 162.962,949 618.367,950 70.573,951 26.476,952 71.296,953 66.334,954 94.373,955 36.346,957 517.928,958 39.149,959 517.928,960 233.534,961 61.29,962 39.149,964 388.446,965 190.772,968 102.673,969 96.188,970 73.822,972 517.928,973 131.862,974 202.11,977 517.928,978 70.152,979 92.809,980 53.787,981 117.224,982 517.928,983 131.862,984 202.11,986 0.57,987 0.341,988 0.171,989 0.087,990 25,991 12,992 0.172,993 16,994 2,995 1.2,996 5.393,997 396.869,998 0.2,999 20,1000 219.82,1005 33.197,1006 16.393,1007 9.15,1008 1.803,1009 131.862,1010 13.023,1011 4.831,1015 5.246,1017 53.787,1018 851.901,1019 56.5,1024 25.152,1028 -0.153,1031 89.312,1032 101.991,1034 0.229,1035 0.538,1036 0.752,1037 0.841,1038 0.857,1039 0.857,1040 5.29,1041 1.967,1042 6.201,1043 6.049,1044 4.828,1045 5.273,1046 2.515,1047 7.011,1048 4.752,1049 6.473,1050 1.782,1051 7.768,1052 5.562,1053 4.443,1054 5.139,1055 1.865,1056 8.181,1057 4.288,1058 7.782,1059 1.485,1060 9.447,1061 4.058,1062 6.457,1063 7.442,1064 3.142,1065 11.179,1066 6.299,1067 9.131,1068 1.439,1069 11.197,1070 3.409,1071 6.938,1072 8.147,1073 3.098,1074 13.207,1075 6.701,1076 10.514,1077 1.257,1078 12.997,1079 3.318,1080 8.405,1081 9.956,1082 4.09,1083 15.81,1084 8.154,1085 11.921,1086 1.21,1087 14.832,1088 3.128,1089 9.271,1090 11.05,1091 4.376,1092 18.138,1093 8.944,1094 13.346,1095 1.088,1096 16.692,1097 2.685,1098 10.54,1099 12.674,1100 5.208,1101 20.65,1102 10.185,1103 3.311,1104 1,1105 18.57,1106 2.588,1107 11.579,1108 13.971,1109 5.666,1110 23.082,1111 11.153,1112 3.236,1113 12.409,1114 20.463,1115 2.275,1116 12.78,1117 15.521,1118 6.407,1119 25.576,1120 12.313,1121 2.822,1122 11.365,1123 22.368,1124 4.582,1125 13.896,1126 16.924,1127 6.952,1128 28.047,1129 13.363,1130 2.611,1131 8.588,1132 24.281,1133 3.767,1134 15.076,1135 18.447,1136 7.644,1137 30.54,1138 14.495,1139 2.402,1140 8.477,1141 26.202,1142 3.534,1143 16.226,1144 19.906,1145 8.231,1146 33.027,1147 15.584,1148 2.394,1149 6.915,1150 28.129,1151 3.312,1152 17.403,1153 21.421,1154 8.897,1155 35.523,1156 16.709,1157 2.202,1158 6.858,1159 30.061,1160 3.065,1161 18.57,1162 22.91,1163 9.507,1164 38.019,1165 17.817,1166 38658,1167 57757,1168 30.394,1169 57.62,1170 66.194,1171 68.754,1172 71.27,1173 66.553,1174 66.294,1175 81.419,1176 10.008,1177 186.161,1178 63.737,1179 5.618,1180 5.681,1181 6.999,1182 5.285,1183 5.311,1184 7.582,1185 3.272,1186 19.947,1187 5.168,1188 23.81,1189 1.439,1190 1.495,1191 1.549,1192 1.447,1193 1.441,1194 1.77,1195 0.218,1196 4.047,1197 1.386,1198 4.118,1199 4.148,1200 4.128,1201 4.046,1202 7.431,1203 4.049,1204 3.962,1205 4.009,1206 3.897,1207 3.859,1208 7.427,1209 3.863,1210 3.876,1211 3.93,1212 3.779,1213 3.686,1214 5.04,1215 3.694,1216 3.764,1217 3.82,1218 3.765,1219 3.66,1220 4.835,1221 3.646,1222 3.736,1223 3.78,1224 3.634,1225 3.618,1226 4.689,1227 3.609,1228 3.564,1229 3.627,1230 3.469,1231 3.334,1232 4.399,1233 3.354,1234 3.39,1235 3.447,1236 3.394,1237 3.196,1238 4.299,1239 3.198,1240 3.311,1241 3.407,1242 3.258,1243 3.147,1244 4.257,1245 3.146,1246 0.101,1247 0.08,1248 0.156,1249 0.092,1250 0.072,1251 4.651,1252 0.1,1253 3.681,1254 0.041,1255 7.172,1256 0.27,1257 4.22,1258 0.069,1259 3.311,1260 4.582,1261 1.886,1262 12.409,1263 3.168,1264 2.067,1265 2.044,1266 2.144,1267 2.157,1268 1.432,1269 2.155,1270 1.905,1271 1.883,1272 2.068,1273 2.086,1274 1.414,1275 2.085,1276 1.835,1277 1.761,1278 2.014,1279 2.003,1280 1.34,1281 2.005,1282 1.753,1283 1.709,1284 1.975,1285 1.925,1286 1.145,1287 1.944,1288 1.75,1289 1.694,1290 1.925,1291 1.863,1292 1.083,1293 1.892,1294 1.49,1295 1.429,1296 1.725,1297 1.751,1298 0.974,1299 1.738,1300 1.351,1301 1.277,1302 1.725,1303 1.591,1304 0.886,1305 1.638,1306 1.351,1307 1.256,1308 1.722,1309 1.584,1310 0.869,1311 1.638,1312 4.533,1314 5.832,1316 7.335,1318 8.932,1320 10.582,1322 6.678,1323 6.209,1328 12.432,1329 9.068,1330 5.944,1335 1.044,1340 53.405,1341 133.863,1342 314.34,1343 439.092,1344 491.208,1345 500.718,1346 500.718,1347 109.475,1348 8.424,1349 92.35,1350 92.35,1351 24,1352 12.832,1353 4.322,1354 3.524,1355 83.197,1356 324,1357 262,1358 0.121,1359 333.819,1360 586.12,1361 806.279,1362 77812,1363 1.1,1364 30.658,1365 0.713,1366 0.622,1367 31.158,1368 26.747,1369 20.874,1370 0.454,1371 0.357,1372 15.899,1373 19.873,1374 15.486,1375 12.908,1376 21.163,1377 16.424,1378 17.835,1379 0.288,1380 0.196,1381 18.243,1382 12.14,1383 15.341,1384 0.192,1385 0.118,1386 15.604,1387 9.421,1388 11.846,1389 0.123,1390 0.064,1391 12.08,1392 6.162,1393 9.058,1394 0.075,1395 0.031,1396 9.289,1397 3.697,1398 0.205,1399 132.963,1400 0.181,1401 39.763,1402 0.295,1403 216,1404 554.387,1405 249.482,1406 564.034,1407 761.68,1408 528,1409 250,1410 537.937,1411 278.253,1412 549.758,1413 802.61,1414 521,1415 8.264}
{0 CHEMBL540132,1 1.447,2 19.887,3 5.013,4 25.126,5 214.688,6 6.386,7 0.304,8 4.816,9 4.961,10 4.236,11 4.283,12 5.747,13 4.227,14 5.424,15 5.645,16 4.584,17 4.69,18 6.28,19 4.604,20 5.745,21 5.997,22 4.72,23 4.92,24 6.569,25 4.804,26 5.869,27 6.12,28 4.707,29 5,30 6.711,31 4.847,32 5.993,33 6.298,34 4.636,35 4.949,36 6.792,37 4.774,38 5.807,39 6.093,40 4.613,41 4.83,42 6.623,43 4.698,44 5.615,45 5.822,46 4.648,47 4.841,48 6.613,49 4.723,50 5.737,51 5.976,52 4.601,53 4.891,54 6.626,55 4.744,56 0.138,57 1.652,58 29.249,59 11.114,60 15.01,61 16.29,62 0.544,63 2.621,64 54.771,65 17.762,66 44.305,67 27.185,68 0.924,69 3.319,70 76.617,71 24.217,72 68.58,73 36.732,74 0.802,75 3.659,76 84.904,77 28.643,78 84.811,79 42.877,80 1.339,81 3.622,82 95.761,83 29.668,84 135.116,85 45.103,86 1.079,87 3.079,88 81.531,89 24.409,90 93.979,91 36.685,92 0.932,93 2.907,94 69.923,95 23.282,96 97.096,97 33.339,98 0.914,99 3.119,100 78.228,101 26.298,102 91.011,103 37.607,104 134,105 76,106 0.206,107 0.461,108 0.661,109 0.729,110 0.741,111 0.741,112 3.991,113 1.118,114 1.99,115 1.74,116 1.34,121 35.6,122 6,123 8,127 11,144 6,145 3,146 4,148 2,160 2,173 1,176 11,180 10,183 2,185 5,187 15,189 6,192 8,194 2,195 1,197 9,200 8,205 1,206 7,209 1,211 9,214 14,218 2,219 11,222 3,224 9,227 11,229 4,232 3,237 3,239 13,241 2,243 1,244 8,246 2,247 1,248 1,249 1,251 27,253 2,256 4,258 2,260 1,263 2,264 19,268 1,269 11,272 1,274 1,277 15,281 8205,282 36.068,283 36.068,284 36.068,285 36.068,286 36.068,287 33.813,288 46.237,289 20.845,290 37.139,291 27.02,292 27.02,293 27.02,294 27.02,295 27.02,296 23.253,297 45.218,298 9.267,299 28.486,300 5.436,301 3.634,302 2.229,303 1.751,304 1.67,305 1.67,306 4.68,308 1,312 1,313 2202,314 6.519,318 703.436,322 555.294,325 2.854,326 49.549,329 0.75,330 0.33,331 0.67,332 0.8,333 1,334 0.67,335 0.5,336 0.67,337 113.333,338 1054,339 4.651,340 3.681,341 7.172,342 4.22,343 3.311,344 4.582,345 1.886,346 12.409,347 3.168,348 4.319,349 3.681,350 7.172,351 4.22,352 3.311,353 3.929,354 1.2,355 12.409,356 3.008,357 4.311,358 3.572,359 6.833,360 4.215,361 3.236,362 3.534,363 1.2,364 11.365,365 3.007,366 4.287,367 3.567,368 6.122,369 3.91,370 2.925,371 3.311,372 1.058,373 9.051,374 2.882,375 3.99,376 3.362,377 6.004,378 3.58,379 2.611,380 3.311,381 0.86,382 8.477,383 2.532,384 3.744,385 3.005,386 5.46,387 3.404,388 2.426,389 3.055,390 0.86,391 7.157,392 2.401,393 3.677,394 2.943,395 5.433,396 3.387,397 2.396,398 2.974,400 6.915,401 2.32,402 3.553,403 2.635,404 5.026,405 3.152,406 2.202,407 2.813,409 6.049,410 2.072,411 3.383,412 2.549,413 5.017,414 3.022,415 2.118,416 2.687,418 6.048,419 1.904,420 3.358,421 2.24,422 4.896,423 2.874,424 1.967,425 2.625,427 5.562,428 1.728,429 2.859,430 1.929,431 4.178,432 2.74,433 1.757,434 1.897,436 3.915,437 1.702,438 2.671,439 1.848,440 4.12,441 2.434,442 1.446,443 1.717,445 3.405,446 1.421,447 2.64,448 1.559,449 3.89,450 2.369,451 1.399,452 1.625,454 3.27,455 1.347,456 2.49,457 1.494,458 3.771,459 2.249,460 1.257,461 1.489,463 3.116,464 1.246,465 2.281,466 1.443,467 3.747,468 2.153,469 1.212,470 1.271,472 2.688,473 1.131,474 25.448,475 0.48,476 1.123,477 0.021,478 53.75,479 1.014,480 20.5,481 0.387,482 33.25,483 0.627,484 74.115,485 1.398,486 62.752,487 0.532,488 47.422,489 0.895,490 9.695,491 0.183,492 15.94,493 0.301,494 0.172,495 0.031,496 0.216,501 0.801,502 1.578,503 0.883,504 1.306,505 0.614,506 1.195,507 1.024,508 1.212,509 0.885,510 1.017,511 0.556,512 0.994,513 1.137,514 0.972,515 0.954,516 0.901,517 0.868,518 0.92,519 0.88,520 1.284,521 0.98,522 1.244,523 0.978,524 1.202,525 0.995,526 0.878,527 0.754,528 0.83,529 0.836,530 0.835,531 1.483,532 0.752,533 0.813,534 0.688,535 1.214,536 0.723,537 1.379,538 1.166,539 1.227,540 1.209,541 1.836,542 1.207,543 1.246,544 1.066,545 1.203,546 1.172,547 1.672,548 1.162,549 12,550 0.231,551 5.778,552 3.688,553 2.444,554 1.743,555 1.197,556 0.887,557 0.883,558 0.596,559 63514,560 128952,561 1.985,562 55.1,563 10,564 28,567 3,568 4,569 20,572 1.863,573 1.849,574 4.141,575 0.607,582 170.711,583 1.447,584 3.248,585 4.653,586 5.132,587 5.212,588 5.212,589 3.495,590 4.812,591 5.704,592 4.495,593 6193.99,594 10.151,595 150048,600 812.152,601 1.536,602 5.644,603 0.214,604 0.004,605 0.076,606 0.043,607 0.031,608 0.024,609 0.016,610 0.012,611 0.012,612 0.008,613 0.441,614 0.33,615 0.63,616 1.612,617 334.293,618 0.031,619 -0.195,620 0.046,621 -0.093,622 -0.007,623 -0.03,624 0.001,625 -0.017,626 0.058,627 0.033,628 0.109,629 0.046,630 -0.041,631 0.117,632 0.022,633 0.104,634 0.028,635 0.082,636 0.041,637 -0.218,638 -0.072,639 -0.213,640 -0.017,641 -0.176,642 0.105,643 0.029,644 0.127,645 0.083,646 0.075,647 0.102,648 -0.109,649 0.18,650 0.138,651 0.239,652 -0.053,653 0.216,654 -0.027,655 -0.048,656 -0.142,657 -0.115,658 -0.113,659 -0.153,660 -0.046,661 -0.021,662 -0.137,663 -0.113,664 -0.184,665 -0.13,666 1.821,667 6.355,668 0.377,669 90.086,670 0.989,671 1.138,672 -3.216,673 10.342,674 0.623,675 4.043,676 4.344,677 4.595,678 4.754,679 4.949,680 5.075,681 5.215,682 5.323,683 5.434,684 5.375,685 12.491,686 0.573,687 753.58,688 4.043,689 5.58,690 6.418,691 7.284,692 8.139,693 9.012,694 9.875,695 10.753,696 11.623,697 12.504,698 5.1,703 1,705 2,708 1,712 2,714 2,715 6,716 1,720 7,722 17,729 1,739 2,740 1,741 118,743 19,744 2,745 56,747 121,748 42,749 15,750 6,751 6,752 1,756 4,757 7,758 1,763 6,767 4,770 8,772 17,773 25,777 2,782 2,786 2,793 65,794 8,795 3,796 11,797 1,802 6,803 2,806 1,807 2,808 0.5,809 4,822 1,829 4,833 2,859 2,864 6,865 1,868 53,876 19,877 3,878 2,883 2,892 1,893 3.4,896 2,898 2,901 28.667,902 22.51,903 12.389,904 8.726,907 3.392,908 1.385,909 0.922,910 17.302,911 12.201,912 4.212,913 4.727,914 5.24,915 5.75,916 6.312,917 6.644,918 6.999,919 7.303,920 7.597,921 7.53,922 1,923 86,924 19.797,926 8.109,927 0.026,929 7.565,931 38.945,933 31.621,936 2.065,937 109.444,941 729.808,942 198.22,943 70.573,944 39.149,945 72.29,948 198.22,949 841.247,950 70.573,951 52.951,952 84.311,953 56.857,954 94.373,955 52.589,957 729.808,958 39.149,959 729.808,960 268.792,961 72.29,962 39.149,964 494.386,965 307.712,968 142.163,969 91.955,970 73.822,972 729.808,973 142.862,974 237.368,977 729.808,978 88.411,979 109.809,980 53.787,981 128.224,982 729.808,983 142.862,984 237.368,986 0.569,987 0.35,988 0.171,989 0.082,990 29,991 15,992 0.19,993 23,994 2,995 1.2,996 5.937,997 535.26,998 0.2,999 20,1000 260.56,1005 42.955,1006 21.348,1007 12.105,1008 1.793,1009 142.862,1010 11.25,1011 4.859,1015 5.656,1017 53.787,1018 1110.04,1019 66.5,1024 26.177,1028 -0.222,1031 116.752,1032 134.227,1034 0.21,1035 0.472,1036 0.676,1037 0.746,1038 0.757,1039 0.757,1040 5.465,1041 2.202,1042 6.422,1043 6.915,1044 5.03,1045 5.416,1046 2.758,1047 7.259,1048 4.933,1049 6.652,1050 2.118,1051 8.011,1052 6.049,1053 4.745,1054 5.338,1055 2.078,1056 8.57,1057 4.555,1058 7.973,1059 1.967,1060 9.715,1061 6.048,1062 6.711,1063 7.572,1064 3.273,1065 11.528,1066 6.507,1067 9.333,1068 1.757,1069 11.491,1070 5.562,1071 7.28,1072 8.308,1073 3.203,1074 13.648,1075 6.981,1076 10.726,1077 1.446,1078 13.316,1079 3.915,1080 8.718,1081 10.071,1082 4.151,1083 16.243,1084 8.393,1085 12.14,1086 1.399,1087 15.175,1088 3.405,1089 9.644,1090 11.176,1091 4.42,1092 18.621,1093 9.228,1094 13.569,1095 1.257,1096 17.058,1097 3.27,1098 10.905,1099 12.773,1100 5.234,1101 21.138,1102 10.448,1103 3.311,1104 1.212,1105 18.957,1106 3.116,1107 11.98,1108 14.07,1109 5.684,1110 23.597,1111 11.439,1112 3.311,1113 12.409,1114 20.87,1115 2.688,1116 13.182,1117 15.603,1118 6.418,1119 26.101,1120 12.589,1121 3.236,1122 12.409,1123 22.792,1124 4.582,1125 14.32,1126 17.002,1127 6.959,1128 28.588,1129 13.649,1130 2.925,1131 11.365,1132 24.722,1133 3.929,1134 15.505,1135 18.515,1136 7.648,1137 31.091,1138 14.775,1139 2.611,1140 9.051,1141 26.658,1142 3.534,1143 16.669,1144 19.968,1145 8.234,1146 33.59,1147 15.866,1148 2.426,1149 8.477,1150 28.599,1151 3.311,1152 17.851,1153 21.476,1154 8.899,1155 36.095,1156 16.985,1157 2.396,1158 7.157,1159 30.543,1160 3.311,1161 19.027,1162 22.958,1163 9.508,1164 38.6,1165 18.092,1166 61668,1167 88729,1168 36.345,1169 73.552,1170 79.745,1171 82.718,1172 88.595,1173 80.419,1174 80.119,1175 95.401,1176 14.128,1177 228.388,1178 76.286,1179 5.619,1180 5.681,1181 6.998,1182 5.309,1183 5.311,1184 7.582,1185 3.272,1186 19.947,1187 5.168,1188 32.943,1189 1.424,1190 1.477,1191 1.582,1192 1.436,1193 1.431,1194 1.704,1195 0.252,1196 4.078,1197 1.362,1198 4.122,1199 4.154,1200 4.13,1201 4.047,1202 7.431,1203 4.051,1204 3.988,1205 4.033,1206 3.928,1207 3.868,1208 7.427,1209 3.878,1210 3.888,1211 3.967,1212 3.781,1213 3.695,1214 5.041,1215 3.702,1216 3.873,1217 3.922,1218 3.766,1219 3.674,1220 4.887,1221 3.686,1222 3.765,1223 3.821,1224 3.766,1225 3.66,1226 4.689,1227 3.646,1228 3.736,1229 3.78,1230 3.635,1231 3.617,1232 4.536,1233 3.609,1234 3.566,1235 3.628,1236 3.472,1237 3.334,1238 4.386,1239 3.354,1240 3.382,1241 3.442,1242 3.394,1243 3.195,1244 4.298,1245 3.196,1246 0.083,1247 0.066,1248 0.128,1249 0.075,1250 0.059,1251 4.651,1252 0.082,1253 3.681,1254 0.034,1255 7.172,1256 0.222,1257 4.22,1258 0.057,1259 3.311,1260 4.582,1261 1.886,1262 12.409,1263 3.168,1264 2.067,1265 2.044,1266 2.144,1267 2.157,1268 1.432,1269 2.155,1270 1.906,1271 1.888,1272 2.069,1273 2.091,1274 1.414,1275 2.089,1276 1.842,1277 1.765,1278 2.064,1279 2.079,1280 1.413,1281 2.08,1282 1.828,1283 1.756,1284 2.007,1285 2.001,1286 1.34,1287 1.998,1288 1.752,1289 1.709,1290 1.955,1291 1.925,1292 1.145,1293 1.941,1294 1.75,1295 1.694,1296 1.925,1297 1.863,1298 1.087,1299 1.892,1300 1.49,1301 1.43,1302 1.725,1303 1.753,1304 0.974,1305 1.739,1306 1.351,1307 1.278,1308 1.725,1309 1.597,1310 0.896,1311 1.638,1312 4.727,1314 6.033,1316 7.544,1318 9.146,1320 10.797,1322 13.365,1323 6.255,1328 16.597,1329 9.211,1330 12.519,1335 1.984,1340 67.619,1341 170.711,1342 383.291,1343 549.08,1344 605.544,1345 615.054,1346 615.054,1347 165.752,1348 8.81,1349 101.58,1350 101.58,1351 24,1352 13.042,1353 4.322,1354 3.524,1355 115.298,1356 403,1357 341,1358 0.131,1359 422.812,1360 745.63,1361 1023.42,1362 123000,1363 0.8,1364 38.271,1365 0.722,1366 0.644,1367 38.771,1368 34.113,1369 25.635,1370 0.458,1371 0.373,1372 20.257,1373 24.34,1374 19.667,1375 16.461,1376 25.923,1377 20.863,1378 21.706,1379 0.286,1380 0.204,1381 22.115,1382 15.468,1383 18.958,1384 0.193,1385 0.129,1386 19.221,1387 12.598,1388 14.398,1389 0.125,1390 0.07,1391 14.633,1392 7.995,1393 10.543,1394 0.075,1395 0.03,1396 10.774,1397 4.266,1398 0.217,1399 163.14,1400 0.166,1401 46.126,1402 0.331,1403 264,1404 650.455,1405 303.801,1406 650.093,1407 881.55,1408 610,1409 306,1410 629.645,1411 341.128,1412 638.662,1413 934.35,1414 605,1415 8.171}
{0 CHEMBL54014,1 1.406,2 12.188,3 5.997,4 35.96,5 127.828,6 7.01,7 0.5,8 4.201,9 4.322,10 3.732,11 3.767,12 5.229,13 3.732,14 4.764,15 4.942,16 4.138,17 4.198,18 5.761,19 4.145,20 5.035,21 5.223,22 4.217,23 4.386,24 5.944,25 4.299,26 5.225,27 5.477,28 4.159,29 4.414,30 6.079,31 4.297,32 5.186,33 5.423,34 4.151,35 4.373,36 6.123,37 4.259,38 5.165,39 5.414,40 4.089,41 4.32,42 6.082,43 4.213,44 4.987,45 5.192,46 4.023,47 4.284,48 5.954,49 4.167,50 5.035,51 5.287,52 3.821,53 4.181,54 5.96,55 4.031,56 0.044,57 0.865,58 13.325,59 5.75,60 10.121,61 7.775,62 0.399,63 1.472,64 25.24,65 9.62,66 35.404,67 13.462,68 0.206,69 1.874,70 33.213,71 13.051,72 30.12,73 18.115,74 0.383,75 2.18,76 42.675,77 14.893,78 45.955,79 21.509,80 0.36,81 1.993,82 40.919,83 15.478,84 54.677,85 21.48,86 0.555,87 1.868,88 41.531,89 14.964,90 66.136,91 20.307,92 0.305,93 1.686,94 32.428,95 13.185,96 40.71,97 17.971,98 0.433,99 1.697,100 35.823,101 13.246,102 57.325,103 18.439,104 17,105 53,106 0.226,107 0.539,108 0.737,109 0.833,110 0.871,111 0.878,112 3.503,113 0.929,114 -5.56,115 -5.44,116 -5.07,121 44.3,122 2,123 1,125 1,126 1,127 2,130 1,144 12,145 3,146 3,161 1,176 16,179 2,180 8,183 2,185 2,187 17,192 10,197 3,200 12,206 12,211 3,214 7,218 1,219 14,224 2,227 12,231 1,232 5,237 1,239 18,243 1,244 4,247 1,249 2,251 21,255 1,256 2,259 1,264 14,269 5,274 1,277 9,281 1772,282 21.617,283 21.617,284 21.617,285 21.617,286 21.617,287 19.247,288 29.101,289 12.593,290 21.969,291 17.781,292 17.781,293 17.781,294 17.781,295 17.781,296 14.293,297 41.702,298 6.003,299 18.366,300 4.525,301 2.57,302 1.339,303 0.744,304 0.509,305 0.463,306 4.209,312 1,313 862,314 3.674,317 124.096,318 265.948,320 100.558,321 108.443,324 149.551,325 1.961,326 20.63,329 0.75,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.86,337 67.5,338 390,339 4.839,340 3.983,341 8.013,342 4.72,343 3.744,344 4.211,345 2.186,346 15.366,347 3.661,348 4.19,349 3.679,350 6.289,351 3.814,352 2.842,353 3.788,354 1.013,355 9.221,356 2.765,357 3.969,358 2.949,359 6.211,360 3.649,361 2.682,362 3.453,363 0.763,364 8.748,365 2.597,366 3.924,367 2.913,368 6.054,369 3.583,370 2.622,371 3.311,372 0.366,373 8.646,374 2.519,375 3.647,376 2.807,377 5.443,378 3.306,379 2.348,380 2.871,381 0.191,382 7.128,383 2.237,384 3.468,385 2.559,386 5.33,387 3.262,388 2.316,389 2.608,391 6.861,392 2.166,393 3.295,394 2.456,395 4.867,396 2.938,397 1.969,398 2.432,400 5.416,401 1.89,402 2.918,403 1.778,404 4.712,405 2.538,406 1.569,407 2.075,409 4.528,410 1.52,411 2.874,412 1.669,413 4.216,414 2.414,415 1.414,416 2.038,418 3.554,419 1.414,420 2.805,421 1.507,422 4.081,423 2.381,424 1.397,425 1.914,427 3.132,428 1.369,429 2.607,430 1.472,431 3.909,432 2.328,433 1.347,434 1.624,436 3.023,437 1.314,438 2.516,439 1.171,440 3.596,441 2.126,442 1.132,443 1.52,445 2.958,446 1.125,447 2.5,448 1,449 3.549,450 2,451 1,452 1.5,454 2.136,455 1,456 1.822,457 0.936,458 3.247,459 1.721,460 0.753,461 0.795,463 1.98,464 0.726,465 1.42,466 0.759,467 3.13,468 1.135,469 0.19,470 0.223,472 0.476,473 0.178,474 15.367,475 0.48,476 0.891,477 0.028,478 41.75,479 1.305,480 21,481 0.656,482 20.75,483 0.648,484 29.676,485 0.927,486 33.833,487 0.555,488 32.258,489 1.008,490 8.116,491 0.254,492 7.338,493 0.229,494 0.119,495 0.033,496 0.312,501 0.803,502 1.305,503 0.828,504 1.082,505 0.638,506 0.973,507 0.708,508 0.951,509 0.843,510 0.861,511 0.434,512 0.855,513 1.018,514 1.361,515 1.079,516 1.216,517 0.739,518 1.164,519 1.096,520 0.993,521 1.05,522 0.971,523 0.713,524 0.982,525 1.121,526 1.067,527 0.984,528 1.08,529 1.166,530 1.028,531 1.671,532 0.733,533 0.957,534 0.741,535 1.579,536 0.778,537 1.03,538 1.137,539 1.118,540 1.191,541 1.091,542 1.178,543 1.254,544 0.95,545 1.138,546 1.027,547 1.668,548 1.069,549 7,550 0.204,551 4.222,552 3.583,553 2.024,554 1.323,555 0.917,556 0.485,557 0.394,558 0.296,559 14425,560 31474,561 2.127,562 47.5,563 6,564 19,565 1,567 1,569 2,572 1.746,573 1.99,574 3.517,575 -0.434,582 85.757,583 1.406,584 3.36,585 4.592,586 5.187,587 5.422,588 5.467,589 3.091,590 4.812,591 4.966,592 3.724,593 1847.08,594 8.699,595 26358.5,600 361.775,601 1.54,602 4.926,603 0.194,604 0.007,605 0.08,606 0.065,607 0.04,608 0.027,609 0.019,610 0.011,611 0.012,612 0.011,613 0.466,614 0.33,615 0.75,616 0.531,617 167.058,618 0.007,619 -0.153,620 0.073,621 -0.044,622 -0.043,623 0.01,624 0.294,625 0.177,626 0.111,627 0.124,628 0.221,629 0.103,630 -0.065,631 -0.295,632 -0.129,633 -0.22,634 -0.031,635 -0.191,636 -0.096,637 0.048,638 -0.056,639 -0.026,640 0.042,641 -0.027,642 0.036,643 -0.101,644 0.014,645 -0.097,646 0.054,647 -0.05,648 -0.125,649 0.195,650 0.085,651 0.233,652 -0.123,653 0.187,654 0.005,655 -0.143,656 -0.155,657 -0.18,658 -0.062,659 -0.189,660 -0.061,661 0.009,662 -0.131,663 -0.056,664 -0.184,665 -0.096,666 2.136,667 5.547,668 0.75,669 35.609,670 0.991,671 1.12,672 4.333,673 18.771,674 0.669,675 3.611,676 3.989,677 4.317,678 4.663,679 4.92,680 5.037,681 5.263,682 5.412,683 5.509,684 5.617,685 7.083,686 0.629,687 427.59,688 3.611,689 5.187,690 6.071,691 6.991,692 7.901,693 8.835,694 9.762,695 10.704,696 11.642,697 12.592,698 4.9,701 1,704 1,705 1,715 12,720 6,722 18,736 1,737 1,741 61,743 19,744 3,745 36,747 65,748 27,749 18,750 6,751 12,756 5,757 8,763 2,764 1,766 1,767 1,770 1,772 19,773 8,777 1,782 1,786 1,793 29,794 5,795 1,796 5,802 3,808 0.6,809 2,825 1,828 2,829 3,831 1,832 1,835 1,855 1,859 3,864 3,868 32,876 3,877 1,878 1,880 1,881 2,882 1,893 3.3,896 1,898 1,901 16.083,902 11.817,903 6.847,904 3.66,907 2.936,908 1.353,909 0.989,910 5.439,911 11.24,912 3.85,913 4.437,914 4.968,915 5.521,916 6.031,917 6.168,918 6.558,919 6.921,920 7.2,921 7.503,922 1,923 55,924 11.864,926 5.112,927 0.026,929 7.555,931 23.198,933 19.787,936 2.055,937 65.75,941 329.591,942 173.584,943 24.259,945 36.145,948 173.584,949 365.736,950 24.259,951 26.047,952 24.757,953 113.715,954 25.145,955 37.562,956 18.534,957 317.82,959 329.591,960 197.843,961 36.145,964 306.049,965 59.687,968 45.531,969 152.312,972 329.591,973 60.404,974 173.584,977 329.591,978 33.822,979 146.01,980 18.011,981 36.145,982 329.591,983 60.404,984 173.584,986 0.591,987 0.352,988 0.199,989 0.111,990 28,991 12,992 0.077,993 5,994 2,995 1.167,996 4.26,997 310.974,998 0.167,999 24,1000 154,1005 21.05,1006 8.269,1007 3.818,1009 60.404,1010 24.343,1015 6.104,1017 18.011,1018 563.579,1019 46,1024 12.547,1028 -0.469,1031 60.447,1032 68.311,1034 0.237,1035 0.567,1036 0.774,1037 0.875,1038 0.914,1039 0.922,1040 5.127,1041 1.569,1042 6.098,1043 5.416,1044 4.673,1045 5.124,1046 2.511,1047 7.015,1048 4.609,1049 6.34,1050 1.414,1051 7.724,1052 4.528,1053 4.443,1054 4.913,1055 1.905,1056 8.324,1057 4.349,1058 7.665,1059 1.397,1060 9.469,1061 3.554,1062 6.389,1063 7.247,1064 3.546,1065 11.5,1066 6.265,1067 9.027,1068 1.347,1069 11.295,1070 3.132,1071 7.022,1072 7.811,1073 3.617,1074 13.755,1075 6.878,1076 10.426,1077 1.132,1078 13.178,1079 3.023,1080 8.495,1081 9.663,1082 4.916,1083 16.577,1084 8.328,1085 11.852,1086 1,1087 15.104,1088 2.958,1089 9.521,1090 10.605,1091 5.294,1092 19.166,1093 9.338,1094 13.302,1095 0.753,1096 17.064,1097 2.136,1098 10.852,1099 12.243,1100 6.389,1101 21.914,1102 10.649,1103 3.744,1104 0.19,1105 19.051,1106 1.98,1107 12.048,1108 13.389,1109 6.931,1110 24.605,1111 11.828,1112 2.842,1113 15.366,1114 21.059,1115 0.476,1116 13.349,1117 14.919,1118 7.902,1119 27.34,1120 13.11,1121 2.682,1122 9.221,1123 23.083,1124 4.211,1125 14.615,1126 16.181,1127 8.539,1128 30.06,1129 14.357,1130 2.622,1131 8.748,1132 25.12,1133 3.788,1134 15.918,1135 17.656,1136 9.436,1137 32.792,1138 15.64,1139 2.348,1140 8.646,1141 27.167,1142 3.453,1143 17.213,1144 18.986,1145 10.13,1146 35.52,1147 16.915,1148 2.316,1149 7.128,1150 29.222,1151 3.311,1152 18.521,1153 20.433,1154 10.981,1155 38.252,1156 18.202,1157 1.969,1158 6.861,1159 31.283,1160 2.871,1161 19.829,1162 21.803,1163 11.71,1164 40.983,1165 19.489,1166 13455,1167 20021,1168 24.156,1169 40.824,1170 55.295,1171 55.943,1172 57.056,1173 54.663,1174 54.651,1175 68.726,1176 9.039,1177 166.346,1178 52.963,1179 5.81,1180 5.983,1181 7.815,1182 5.811,1183 5.744,1184 7.211,1185 3.889,1186 23.914,1187 5.661,1188 14.661,1189 1.536,1190 1.554,1191 1.585,1192 1.518,1193 1.518,1194 1.909,1195 0.251,1196 4.621,1197 1.471,1198 4.107,1199 4.144,1200 4.054,1201 4.011,1202 7.435,1203 4.017,1204 3.926,1205 3.96,1206 3.864,1207 3.855,1208 4.853,1209 3.852,1210 3.881,1211 3.913,1212 3.808,1213 3.826,1214 4.748,1215 3.818,1216 3.699,1217 3.742,1218 3.615,1219 3.562,1220 4.734,1221 3.566,1222 3.392,1223 3.421,1224 3.336,1225 3.126,1226 4.428,1227 3.161,1228 3.256,1229 3.345,1230 3.121,1231 3.059,1232 4.136,1233 3.069,1234 3.224,1235 3.297,1236 3.036,1237 3.03,1238 3.916,1239 3.017,1240 3.169,1241 3.256,1242 2.963,1243 2.996,1244 3.885,1245 2.991,1246 0.134,1247 0.111,1248 0.223,1249 0.131,1250 0.104,1251 4.839,1252 0.117,1253 3.983,1254 0.061,1255 8.013,1256 0.427,1257 4.72,1258 0.102,1259 3.744,1260 4.211,1261 2.186,1262 15.366,1263 3.661,1264 1.93,1265 1.904,1266 2.046,1267 2.03,1268 1.31,1269 2.033,1270 1.913,1271 1.883,1272 2.035,1273 2.008,1274 1.192,1275 2.018,1276 1.883,1277 1.859,1278 1.996,1279 1.96,1280 1.135,1281 1.973,1282 1.615,1283 1.564,1284 1.808,1285 1.803,1286 1.02,1287 1.804,1288 1.531,1289 1.449,1290 1.781,1291 1.75,1292 0.995,1293 1.772,1294 1.243,1295 1.203,1296 1.553,1297 1.546,1298 0.654,1299 1.497,1300 1.208,1301 1.129,1302 1.486,1303 1.418,1304 0.604,1305 1.469,1306 1.15,1307 1.095,1308 1.453,1309 1.398,1310 0.563,1311 1.409,1312 4.29,1314 5.652,1315 3.045,1316 7.213,1317 5.638,1318 8.87,1319 7.928,1320 10.586,1322 6.499,1328 2.975,1329 2.851,1330 5.69,1332 0.286,1333 4.934,1334 -0.009,1340 38.342,1341 85.757,1342 204.981,1343 280.126,1344 316.391,1345 330.755,1346 333.51,1347 47.579,1348 8.304,1349 44.81,1350 44.81,1351 28,1352 13.084,1353 4.322,1354 3.459,1355 45.701,1356 134,1357 140,1358 0.166,1359 231.898,1360 405.34,1361 557.591,1362 48918,1364 22.294,1365 0.697,1366 0.589,1367 22.294,1368 18.838,1369 15.453,1370 0.429,1371 0.31,1372 11.035,1373 15.012,1374 10.642,1375 8.858,1376 15.453,1377 11.154,1378 14.499,1379 0.274,1380 0.173,1381 14.499,1382 9.144,1383 12.444,1384 0.168,1385 0.094,1386 12.444,1387 6.947,1388 10.965,1389 0.104,1390 0.051,1391 10.965,1392 5.328,1393 9.099,1394 0.067,1395 0.028,1396 9.099,1397 3.776,1398 0.26,1399 95.719,1400 0.203,1401 29.767,1402 0.46,1403 178,1404 431.094,1405 191.692,1406 423.124,1407 594.32,1408 398,1409 216,1410 453.444,1411 230.308,1412 463.782,1413 684.33,1414 435,1415 7}
{0 CHEMBL540169,1 1.445,2 19.067,3 8.648,4 74.779,5 181.321,6 7.372,7 0.549,8 4.517,9 4.634,10 4.087,11 4.13,12 5.511,13 4.085,14 5.092,15 5.26,16 4.463,17 4.557,18 6.045,19 4.483,20 5.402,21 5.627,22 4.567,23 4.709,24 6.301,25 4.612,26 5.403,27 5.626,28 4.537,29 4.689,30 6.332,31 4.592,32 5.397,33 5.612,34 4.516,35 4.724,36 6.293,37 4.615,38 5.481,39 5.708,40 4.465,41 4.747,42 6.35,43 4.606,44 5.492,45 5.747,46 4.315,47 4.681,48 6.3,49 4.5,50 5.396,51 5.679,52 4.142,53 4.503,54 6.202,55 4.306,56 0.057,57 1.157,58 17.413,59 8.008,60 8.759,61 10.715,62 0.224,63 1.979,64 34.001,65 14.288,66 26.744,67 19.412,68 0.394,69 2.6,70 52.112,71 19.267,72 51.175,73 26.547,74 0.592,75 2.635,76 51.707,77 18.301,78 63.218,79 25.263,80 0.387,81 2.617,82 48.971,83 19.176,84 49.36,85 26.408,86 0.483,87 2.725,88 55.587,89 21.585,90 60.849,91 29.482,92 0.481,93 2.66,94 60.635,95 22.969,96 62.714,97 31.659,98 0.647,99 2.373,100 59.745,101 20.944,102 72.073,103 29.39,104 5,105 71,106 0.215,107 0.53,108 0.716,109 0.855,110 0.885,111 0.892,112 3.831,113 0.986,114 -6.18,115 -6.03,116 -5.6,121 45.2,123 10,127 3,144 11,145 6,146 3,148 4,160 1,176 21,180 12,183 1,185 5,187 26,192 11,197 5,200 20,205 1,206 12,209 1,211 5,214 23,219 9,223 1,224 3,227 28,232 7,237 3,239 31,244 2,247 1,249 3,251 24,255 2,256 1,259 2,261 4,264 15,269 3,272 1,274 6,277 10,281 4470,282 31.344,283 31.344,284 31.344,285 31.344,286 31.344,287 27.929,288 29.469,289 18.875,290 31.799,291 25.283,292 25.283,293 25.283,294 25.283,295 25.283,296 19.869,297 27.302,298 9.069,299 26.063,300 4.947,301 2.837,302 1.586,303 0.652,304 0.452,305 0.405,306 4.559,308 1,313 1943,314 4.183,318 819.375,322 775.569,325 2.773,326 34.282,329 0.5,330 0.33,331 0.67,332 0.7,333 0.5,334 0.83,335 1,336 0.65,337 94.333,338 858,339 4.685,340 3.579,341 6.906,342 4.253,343 3.278,344 4.608,345 1.907,346 11.633,347 3.194,348 4.651,349 3.428,350 6.833,351 4.214,352 3.235,353 4.582,354 0.86,355 11.364,356 3.165,357 4.154,358 3.373,359 6.25,360 3.756,361 2.762,362 3.778,363 0.4,364 9.302,365 2.746,366 3.99,367 2.943,368 6.004,369 3.58,370 2.61,371 3.534,372 0.149,373 8.477,374 2.532,375 3.805,376 2.831,377 5.675,378 3.47,379 2.48,380 3.27,382 7.525,383 2.455,384 3.669,385 2.659,386 5.427,387 3.343,388 2.354,389 2.961,391 6.886,392 2.319,393 3.584,394 2.562,395 5.284,396 3.192,397 2.252,398 2.955,400 6.711,401 2.104,402 3.5,403 2.356,404 4.985,405 3.112,406 2.127,407 2.787,409 5.946,410 2.09,411 3.365,412 2.272,413 4.899,414 2.883,415 1.983,416 2.699,418 5.573,419 1.821,420 3.328,421 2.07,422 4.888,423 2.856,424 1.887,425 2.676,427 5.291,428 1.714,429 2.827,430 1.885,431 4.121,432 2.708,433 1.72,434 1.954,436 3.638,437 1.689,438 2.792,439 1.683,440 4.021,441 2.488,442 1.507,443 1.818,445 3.425,446 1.477,447 2.635,448 1.61,449 3.965,450 2.431,451 1.442,452 1.664,454 3.381,455 1.419,456 2.566,457 1.526,458 3.798,459 2.28,460 1.314,461 1.58,463 3.115,464 1.263,465 2.5,466 1.434,467 3.709,468 2.25,469 1.258,470 1.5,472 2.95,473 1.246,474 21.981,475 0.488,476 0.88,477 0.02,478 57,479 1.267,480 28.5,481 0.633,482 28.5,483 0.633,484 47.425,485 1.054,486 47.019,487 0.56,488 44.294,489 0.984,490 10.332,491 0.23,492 11.804,493 0.262,494 0.048,496 0.318,501 0.734,502 1.148,503 0.715,504 0.967,505 0.577,506 0.915,507 0.829,508 1.166,509 0.807,510 1.018,511 0.607,512 0.992,513 1.071,514 1.042,515 0.875,516 0.914,517 0.986,518 0.892,519 1.229,520 0.983,521 0.934,522 0.913,523 1.161,524 0.943,525 0.994,526 1.026,527 0.896,528 1.005,529 0.93,530 1.032,531 1.101,532 1.056,533 0.988,534 1.084,535 1.138,536 1.123,537 0.93,538 1.068,539 1.085,540 1.128,541 1.013,542 1.139,543 0.727,544 0.943,545 1.114,546 1.039,547 0.834,548 1.019,549 6.5,550 0.256,551 4.444,552 2.688,553 2.933,554 1.299,555 0.844,556 0.561,557 0.36,558 0.258,559 47443,560 107449,561 2.2,562 46.4,563 10,564 17,567 2,568 4,569 6,572 1.819,573 2.126,574 4.105,575 0.027,582 121.403,583 1.445,584 3.555,585 4.806,586 5.74,587 5.94,588 5.988,589 3.541,590 5.314,591 5.471,592 4.381,593 4337.34,594 9.639,595 90508.3,600 536.955,601 1.132,602 5.451,603 0.127,604 0.006,605 0.063,606 0.035,607 0.04,608 0.018,609 0.013,610 0.011,611 0.008,612 0.006,613 0.328,614 0.17,615 0.63,616 0.322,617 270.886,618 -0.013,619 -0.025,620 0.042,621 0.021,622 0.013,623 0.044,624 0.03,625 -0.094,626 0.014,627 -0.039,628 0.071,629 -0.028,630 -0.047,631 -0.014,632 0.055,633 0.055,634 -0.028,635 0.077,636 -0.055,637 0.081,638 -0.034,639 0.028,640 -0.076,642 -0.072,643 0.018,644 -0.061,645 -0.045,646 -0.037,647 -0.068,648 -0.091,649 -0.066,650 -0.107,651 -0.106,652 -0.096,653 -0.143,654 -0.016,655 -0.133,656 -0.086,657 -0.123,658 -0.044,659 -0.128,660 0.192,661 -0.026,662 0.008,663 -0.029,664 0.135,665 0.002,666 1.579,667 5.721,668 0.756,669 61.333,670 0.992,671 1.117,672 4.953,673 24.529,674 0.684,675 3.951,676 4.277,677 4.595,678 4.92,679 5.247,680 5.366,681 5.545,682 5.707,683 5.814,684 5.775,685 11.264,686 0.641,687 619.26,688 3.951,689 5.501,690 6.368,691 7.258,692 8.147,693 9.048,694 9.948,695 10.854,696 11.76,697 12.671,698 4.8,703 1,705 1,708 2,714 4,715 11,716 2,720 9,722 28,734 1,739 1,740 1,741 84,743 29,744 3,745 51,747 90,748 38,749 24,750 7,751 11,756 7,757 13,758 1,767 6,770 10,772 25,773 13,777 1,782 1,786 1,793 39,794 6,795 2,796 7,797 1,802 4,808 0.429,809 2,822 2,829 7,833 4,843 1,859 3,865 1,868 45,876 13,877 2,878 1,892 1,893 2.4,896 1,898 1,901 21.167,902 15.043,903 9.833,904 5.715,907 5.299,908 1.55,909 1.032,910 9.182,911 14.928,912 4.205,913 4.832,914 5.475,915 6.13,916 6.792,917 7.184,918 7.644,919 8.089,920 8.469,921 8.583,922 1,923 77,924 16.741,926 7.232,927 0.026,929 7.51,931 33.062,933 28.366,936 2.01,937 90.444,941 435.531,942 182.283,943 69.593,944 39.149,945 36.145,948 182.283,949 510.824,950 69.593,952 52.16,953 104.239,954 81.431,955 50.191,957 435.531,958 39.149,959 435.531,960 251.876,961 36.145,962 39.149,964 364.904,965 106.771,968 61.962,969 138.332,970 90.73,972 435.531,973 105.737,974 221.432,977 435.531,978 78.045,979 104.239,980 36.022,981 108.865,982 435.531,983 105.737,984 221.432,986 0.575,987 0.338,988 0.196,989 0.118,990 35,991 14,992 0.111,993 10,994 4,995 1.235,996 5.592,997 470.693,998 0.235,999 34,1000 243.133,1005 30.016,1006 13.766,1007 6.662,1008 4.077,1009 105.737,1010 22.659,1011 9.967,1015 9.891,1017 36.022,1018 762.7,1019 66,1024 12.721,1028 0.088,1031 83.29,1032 93.83,1034 0.226,1035 0.556,1036 0.752,1037 0.898,1038 0.929,1039 0.937,1040 5.447,1041 2.127,1042 6.337,1043 6.711,1044 4.963,1045 5.521,1046 2.18,1047 7.163,1048 4.906,1049 6.647,1050 1.983,1051 7.894,1052 5.946,1053 4.443,1054 5.373,1055 1.593,1056 8.089,1057 4.353,1058 7.961,1059 1.887,1060 9.557,1061 5.573,1062 6.555,1063 7.788,1064 2.965,1065 11.254,1066 6.455,1067 9.315,1068 1.72,1069 11.287,1070 5.291,1071 6.909,1072 8.514,1073 3.032,1074 13.066,1075 6.783,1076 10.707,1077 1.507,1078 13.062,1079 3.638,1080 8.448,1081 10.393,1082 4.052,1083 15.746,1084 8.308,1085 12.126,1086 1.442,1087 14.868,1088 3.425,1089 9.229,1090 11.531,1091 4.409,1092 17.921,1093 9.065,1094 13.566,1095 1.314,1096 16.696,1097 3.381,1098 10.535,1099 13.196,1100 5.254,1101 20.44,1102 10.353,1103 3.278,1104 1.258,1105 18.542,1106 3.115,1107 11.526,1108 14.537,1109 5.75,1110 22.767,1111 11.319,1112 3.235,1113 11.633,1114 20.402,1115 2.95,1116 12.739,1117 16.113,1118 6.502,1119 25.233,1120 12.513,1121 2.762,1122 11.364,1123 22.272,1124 4.608,1125 13.83,1126 17.55,1127 7.068,1128 27.624,1129 13.577,1130 2.61,1131 9.302,1132 24.151,1133 4.582,1134 15.011,1135 19.091,1136 7.771,1137 30.072,1138 14.737,1139 2.48,1140 8.477,1141 26.037,1142 3.778,1143 16.147,1144 20.573,1145 8.374,1146 32.49,1147 15.846,1148 2.354,1149 7.525,1150 27.929,1151 3.534,1152 17.32,1153 22.101,1154 9.051,1155 34.933,1156 16.996,1157 2.252,1158 6.886,1159 29.826,1160 3.27,1161 18.478,1162 23.605,1163 9.674,1164 37.365,1165 18.127,1166 42516,1167 64197,1168 35.482,1169 57.495,1170 75.942,1171 77.847,1172 77.252,1173 76.11,1174 75.918,1175 98.554,1176 6.632,1177 217.378,1178 73.563,1179 5.646,1180 5.579,1181 6.729,1182 5.337,1183 5.278,1184 7.608,1185 3.306,1186 19.252,1187 5.194,1188 13.737,1189 1.489,1190 1.526,1191 1.515,1192 1.492,1193 1.489,1194 1.932,1195 0.13,1196 4.262,1197 1.442,1198 4.149,1199 4.174,1200 4.138,1201 4.079,1202 7.429,1203 4.084,1204 4.095,1205 4.119,1206 4.085,1207 4.029,1208 5.049,1209 4.033,1210 3.865,1211 3.895,1212 3.796,1213 3.814,1214 5.006,1215 3.806,1216 3.761,1217 3.817,1218 3.778,1219 3.662,1220 4.721,1221 3.647,1222 3.736,1223 3.78,1224 3.65,1225 3.61,1226 4.685,1227 3.609,1228 3.685,1229 3.736,1230 3.558,1231 3.552,1232 4.524,1233 3.543,1234 3.556,1235 3.614,1236 3.447,1237 3.39,1238 4.288,1239 3.39,1240 3.355,1241 3.427,1242 3.368,1243 3.208,1244 4.257,1245 3.2,1246 0.092,1247 0.07,1248 0.135,1249 0.083,1250 0.064,1251 4.685,1252 0.09,1253 3.579,1254 0.037,1255 6.906,1256 0.228,1257 4.253,1258 0.063,1259 3.278,1260 4.608,1261 1.907,1262 11.633,1263 3.194,1264 2.081,1265 2.063,1266 2.151,1267 2.165,1268 1.436,1269 2.161,1270 2.07,1271 2.047,1272 2.148,1273 2.158,1274 1.372,1275 2.158,1276 1.876,1277 1.85,1278 2.003,1279 1.959,1280 1.288,1281 1.975,1282 1.75,1283 1.71,1284 1.96,1285 1.916,1286 1.215,1287 1.932,1288 1.729,1289 1.679,1290 1.923,1291 1.863,1292 1.143,1293 1.891,1294 1.685,1295 1.629,1296 1.903,1297 1.844,1298 1.077,1299 1.866,1300 1.526,1301 1.473,1302 1.743,1303 1.73,1304 0.97,1305 1.736,1306 1.331,1307 1.269,1308 1.575,1309 1.546,1310 0.808,1311 1.564,1312 4.635,1314 5.958,1316 7.493,1318 9.133,1320 10.836,1323 6.269,1328 11.729,1329 6.829,1330 6.213,1340 53.825,1341 121.403,1342 298.662,1343 403.707,1344 482.2,1345 498.955,1346 502.955,1347 74.67,1348 9.629,1349 76.14,1350 76.14,1351 42,1352 13.187,1353 4.907,1354 4,1355 62.973,1356 318,1357 246,1358 0.093,1359 326.045,1360 564.77,1361 787.309,1362 329619,1363 1.2,1364 30.589,1365 0.68,1366 0.586,1367 31.089,1368 26.388,1369 22.136,1370 0.434,1371 0.329,1372 16.304,1373 21.367,1374 15.965,1375 13.126,1376 22.425,1377 16.77,1378 19.637,1379 0.277,1380 0.178,1381 20.045,1382 12.639,1383 16.99,1384 0.173,1385 0.095,1386 17.253,1387 9.291,1388 14.793,1389 0.109,1390 0.051,1391 15.028,1392 6.935,1393 13.18,1394 0.07,1395 0.028,1396 13.412,1397 5.317,1398 0.156,1399 139.203,1400 0.168,1401 40.598,1402 0.234,1403 244,1404 591.63,1405 272.826,1406 611.683,1407 852.31,1408 578,1409 291,1410 620.968,1411 314.733,1412 640.486,1413 949.02,1414 610,1415 7.78}
{0 CHEMBL540178,1 1.354,2 22.917,3 7.314,4 53.499,5 202.158,6 6.121,7 0.24,8 4.714,9 4.854,10 4.09,11 4.197,12 5.678,13 4.136,14 5.294,15 5.514,16 4.372,17 4.564,18 6.153,19 4.47,20 5.565,21 5.819,22 4.52,23 4.752,24 6.407,25 4.636,26 5.686,27 5.929,28 4.53,29 4.866,30 6.52,31 4.719,32 5.855,33 6.136,34 4.47,35 4.937,36 6.632,37 4.749,38 5.866,39 6.162,40 4.356,41 4.893,42 6.585,43 4.688,44 5.773,45 6.072,46 4.232,47 4.792,48 6.484,49 4.58,50 5.663,51 5.965,52 4.126,53 4.678,54 6.362,55 4.461,56 0.12,57 1.469,58 26.549,59 10.584,60 18.855,61 15.177,62 0.393,63 2.316,64 46.963,65 16.211,66 41.096,67 24.392,68 0.626,69 2.868,70 60.921,71 20.699,72 67.609,73 31.401,74 0.752,75 3.185,76 68.529,77 24.718,78 73.987,79 36.532,80 0.817,81 3.521,82 79.573,83 28.776,84 101.975,85 42.659,86 0.779,87 3.424,88 79.979,89 28.265,90 88.223,91 42.179,92 0.772,93 3.092,94 72.817,95 26.091,96 81.024,97 38.536,98 0.564,99 2.771,100 64.701,101 23.394,102 67.91,103 34.869,104 81,105 64,106 0.196,107 0.465,108 0.669,109 0.768,110 0.796,111 0.811,112 3.894,113 1.082,114 -4.72,115 -4.64,116 -4.36,121 37,122 4,123 8,126 2,127 6,129 2,137 2,140 2,144 8,145 2,146 2,158 2,176 14,180 15,185 3,187 14,191 1,192 11,196 1,197 3,200 9,205 2,206 11,209 2,211 1,214 16,219 6,222 2,224 2,227 16,232 6,237 2,239 20,243 1,244 5,247 1,249 3,251 20,256 5,261 3,264 10,269 9,274 5,277 7,281 6468,282 32.794,283 32.794,284 32.794,285 32.794,286 32.794,287 30.56,288 42.795,289 19.986,290 33.567,291 24.376,292 24.376,293 24.376,294 24.376,295 24.376,296 20.865,297 57.177,298 9.091,299 25.339,300 5.401,301 3.545,302 2.134,303 1.452,304 1.26,305 1.153,306 4.576,312 1,313 2272,314 5.831,318 652.709,325 4.181,326 38.01,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 102,338 1100,339 4.381,340 3.581,341 6.606,342 4.032,343 3.068,344 3.867,345 0.916,346 10.415,347 2.957,348 4.314,349 3.399,350 6.606,351 4.032,352 3.068,353 3.867,354 0.916,355 10.415,356 2.957,357 4.314,358 3.399,359 6.25,360 3.974,361 2.988,362 3.846,363 0.86,364 9.366,365 2.947,366 3.773,367 2.889,368 5.741,369 3.403,370 2.47,371 3.014,372 0.86,373 7.583,374 2.34,375 3.603,376 2.802,377 5.71,378 3.402,379 2.47,380 2.691,381 0.6,382 7.539,383 2.299,384 3.603,385 2.802,386 5.71,387 3.391,388 2.422,389 2.691,390 0.4,391 7.539,392 2.298,393 3.266,394 2.437,395 4.592,396 2.846,397 1.854,398 2.385,399 0.172,400 4.72,401 1.835,402 2.923,403 2.059,404 4.592,405 2.835,406 1.849,407 2.088,408 0.172,409 4.448,410 1.822,411 2.917,412 2.055,413 4.559,414 2.696,415 1.714,416 2.088,418 4.447,419 1.677,420 2.917,421 1.944,422 3.934,423 2.592,424 1.636,425 1.994,427 3.711,428 1.562,429 2.908,430 1.772,431 3.851,432 2.552,433 1.59,434 1.99,436 3.583,437 1.526,438 2.826,439 1.662,440 3.752,441 2.458,442 1.484,443 1.84,445 3.131,446 1.436,447 2.756,448 1.576,449 3.699,450 2.455,451 1.476,452 1.765,454 3.098,455 1.436,456 2.575,457 1.56,458 3.638,459 2.33,460 1.362,461 1.507,463 2.954,464 1.314,465 2.324,466 1.313,467 3.52,468 2.213,469 1.229,470 1.301,472 2.627,473 1.208,474 22.933,475 0.478,476 0.836,477 0.017,478 48,479 1,480 19,481 0.396,482 29,483 0.604,484 61.591,485 1.283,486 56.267,487 0.521,488 40.044,489 0.834,490 9.119,491 0.19,492 14.217,493 0.296,494 0.16,496 0.253,501 0.882,502 1.51,503 1.021,504 1.331,505 0.783,506 1.21,507 1.153,508 1.203,509 1.043,510 1.069,511 0.68,512 1.037,513 0.971,514 1.024,515 0.948,516 0.957,517 0.735,518 0.939,519 0.926,520 1.189,521 1.117,522 1.188,523 0.833,524 1.175,525 0.87,526 1.045,527 1.039,528 1.072,529 0.838,530 1.075,531 1.001,532 0.953,533 1.034,534 0.991,535 1.049,536 1.013,537 0.996,538 0.904,539 1.033,540 0.975,541 1.062,542 1.008,543 0.83,544 1.014,545 0.969,546 1.024,547 1.065,548 1.018,549 7,550 0.231,551 5.333,552 3.5,553 2.649,554 1.278,555 0.811,556 0.51,557 0.304,558 0.242,559 55220,560 115166,561 1.972,562 55.6,563 8,564 30,567 2,569 20,572 1.833,573 1.846,574 4.384,575 0.023,582 146.237,583 1.354,584 3.209,585 4.621,586 5.303,587 5.495,588 5.602,589 3.772,590 4.387,591 5.559,592 4.704,593 5306.14,594 9.812,595 128285,600 729.528,601 1.384,602 5.513,603 0.14,604 0.005,605 0.083,606 0.048,607 0.038,608 0.02,609 0.014,610 0.01,611 0.007,612 0.006,613 0.372,614 0.17,615 0.75,616 0.846,617 301.548,618 0.003,619 -0.183,620 0.043,621 -0.08,622 -0.022,623 -0.025,624 -0.08,625 -0.034,626 0.006,627 0.002,628 0.046,629 0.014,630 0.026,631 0.073,632 0.074,633 0.059,634 0.12,635 0.074,636 0.049,637 -0.105,638 -0.105,639 -0.135,640 0.028,641 -0.139,642 0.009,643 -0.055,644 -0.063,645 -0.07,646 0.034,647 -0.074,648 -0.076,649 -0.002,650 -0.063,651 -0.022,652 -0.09,653 -0.037,654 -0.058,655 0.034,656 -0.064,657 -0.008,658 -0.092,659 -0.034,660 -0.019,661 -0.084,662 -0.017,663 -0.049,664 -0.076,665 -0.037,666 1.817,667 5.685,668 0.375,669 92.917,670 0.986,671 1.134,672 3.493,673 12.204,674 0.622,675 3.932,676 4.174,677 4.419,678 4.575,679 4.691,680 4.595,681 4.533,682 4.466,683 4.443,684 4.419,685 13.872,686 0.571,687 661.04,688 3.932,689 5.434,690 6.256,691 7.094,692 7.933,693 8.778,694 9.624,695 10.472,696 11.321,697 12.171,698 3.7,700 1,701 2,707 1,715 8,720 4,722 12,739 2,741 108,743 16,744 2,745 50,747 110,748 40,749 12,750 4,751 8,752 6,756 3,757 3,763 4,770 10,772 18,773 22,777 4,782 1,784 2,785 1,786 4,793 60,794 8,795 2,796 8,802 4,808 1,809 4,829 3,839 1,841 1,849 4,853 1,855 2,857 1,859 3,864 6,868 48,875 1,876 14,877 1,878 2,880 2,881 2,893 3.7,895 1,896 1,898 2,901 26,902 20.55,903 11.389,904 7.296,907 2.825,908 1.353,909 0.91,910 18.007,911 10.82,912 4.111,913 4.554,914 5.04,915 5.446,916 5.841,917 5.795,918 5.846,919 5.815,920 5.821,921 5.765,922 0.933,923 73,924 17.86,926 7.135,927 0.026,929 7.552,931 35.153,933 27.822,936 2.052,937 98.5,941 682.724,942 212.245,943 41.045,945 89.828,948 212.245,949 772.552,950 41.045,951 57.067,952 32.91,953 112.773,954 78.475,955 61.892,957 682.724,959 682.724,960 253.29,961 89.828,964 447.302,965 325.25,968 109.256,969 122.324,970 21.709,972 682.724,973 130.873,974 212.245,977 682.724,978 60.415,979 158.078,980 18.011,981 106.614,982 682.724,983 130.873,984 212.245,986 0.555,987 0.34,988 0.182,989 0.093,990 21,991 12,992 0.209,993 23,995 1,996 5.813,997 434.618,999 18,1000 266.078,1005 39.477,1006 21.895,1007 12.465,1009 130.873,1010 16.51,1015 4.329,1017 60.694,1018 1025.84,1019 60,1024 12.685,1026 2.986,1027 4.501,1028 0.761,1031 106.457,1032 122.456,1034 0.2,1035 0.475,1036 0.684,1037 0.785,1038 0.814,1039 0.829,1040 5.328,1041 1.849,1042 6.201,1043 4.72,1044 4.86,1045 5.242,1046 2.08,1047 6.963,1048 4.788,1049 6.468,1050 1.714,1051 7.736,1052 4.448,1053 4.29,1054 4.844,1055 0.57,1056 7.842,1057 4.174,1058 7.737,1059 1.636,1060 9.382,1061 4.447,1062 6.399,1063 7.257,1064 1.689,1065 10.938,1066 6.259,1067 9.045,1068 1.59,1069 11.096,1070 3.711,1071 6.735,1072 7.744,1073 0.674,1074 12.674,1075 6.547,1076 10.392,1077 1.484,1078 12.854,1079 3.583,1080 8.24,1081 9.601,1082 1.417,1083 15.278,1084 8.037,1085 11.765,1086 1.476,1087 14.641,1088 3.131,1089 8.995,1090 10.502,1091 0.66,1092 17.344,1093 8.748,1094 13.159,1095 1.362,1096 16.448,1097 3.098,1098 10.26,1099 12.118,1100 1.203,1101 19.78,1102 9.997,1103 3.068,1104 1.229,1105 18.269,1106 2.954,1107 11.21,1108 13.227,1109 0.611,1110 21.988,1111 10.908,1112 3.068,1113 10.415,1114 20.1,1115 2.627,1116 12.377,1117 14.724,1118 1.023,1119 24.361,1120 12.056,1121 2.988,1122 10.415,1123 21.94,1124 3.867,1125 13.415,1126 15.94,1127 0.55,1128 26.633,1129 13.059,1130 2.47,1131 9.366,1132 23.785,1133 3.867,1134 14.545,1135 17.374,1136 0.869,1137 28.982,1138 14.166,1139 2.47,1140 7.583,1141 25.635,1142 3.846,1143 15.622,1144 18.649,1145 0.487,1146 31.286,1147 15.211,1148 2.422,1149 7.539,1150 27.49,1151 3.014,1152 16.739,1153 20.047,1154 0.735,1155 33.626,1156 16.302,1157 1.854,1158 7.539,1159 29.348,1160 2.691,1161 17.834,1162 21.354,1163 0.427,1164 35.946,1165 17.367,1166 54012,1167 78230,1168 32.591,1169 67.16,1170 71.384,1171 72.559,1172 74.93,1173 70.762,1174 70.804,1175 84.444,1176 9.795,1177 190.028,1178 68.229,1179 5.349,1180 5.581,1181 6.469,1182 5.065,1183 5.068,1184 6.867,1185 1.776,1186 17.515,1187 4.957,1188 29.359,1189 1.428,1190 1.451,1191 1.499,1192 1.415,1193 1.416,1194 1.689,1195 0.196,1196 3.801,1197 1.365,1198 4.006,1199 4.046,1200 3.935,1201 3.908,1202 7.428,1203 3.909,1204 3.939,1205 3.971,1206 3.876,1207 3.859,1208 6.469,1209 3.859,1210 3.91,1211 3.938,1212 3.865,1213 3.796,1214 4.88,1215 3.809,1216 3.759,1217 3.823,1218 3.614,1219 3.624,1220 4.848,1221 3.611,1222 3.746,1223 3.801,1224 3.611,1225 3.618,1226 4.618,1227 3.606,1228 3.623,1229 3.697,1230 3.481,1231 3.447,1232 4.4,1233 3.444,1234 3.59,1235 3.66,1236 3.435,1237 3.427,1238 4.396,1239 3.42,1240 3.409,1241 3.492,1242 3.248,1243 3.232,1244 4.351,1245 3.222,1246 0.088,1247 0.072,1248 0.132,1249 0.081,1250 0.061,1251 4.381,1252 0.077,1253 3.581,1254 0.018,1255 6.606,1256 0.208,1257 4.032,1258 0.059,1259 3.068,1260 3.867,1261 0.916,1262 10.415,1263 2.957,1264 1.928,1265 1.901,1266 2.064,1267 2.047,1268 1.385,1269 2.054,1270 1.927,1271 1.9,1272 2.062,1273 2.045,1274 1.382,1275 2.052,1276 1.856,1277 1.829,1278 2.011,1279 2.006,1280 1.247,1281 2.001,1282 1.77,1283 1.708,1284 1.999,1285 1.932,1286 1.244,1287 1.957,1288 1.742,1289 1.686,1290 1.908,1291 1.9,1292 1.087,1293 1.913,1294 1.61,1295 1.538,1296 1.862,1297 1.816,1298 1.069,1299 1.835,1300 1.588,1301 1.518,1302 1.836,1303 1.782,1304 0.984,1305 1.805,1306 1.412,1307 1.333,1308 1.719,1309 1.632,1310 0.952,1311 1.664,1312 4.615,1314 5.878,1316 7.34,1318 8.9,1320 10.513,1322 12.359,1327 10.548,1328 13.863,1329 3.246,1330 11.144,1332 0.595,1333 4.972,1340 61.695,1341 146.237,1342 346.621,1343 499.024,1344 572.734,1345 593.489,1346 604.999,1347 150.268,1348 7.996,1349 86.63,1350 86.63,1351 18,1352 12.729,1353 4.087,1354 3.459,1355 118.993,1356 410,1357 308,1358 0.134,1359 386.172,1360 694.44,1361 934.02,1362 48232,1364 34.727,1365 0.723,1366 0.632,1367 34.727,1368 30.341,1369 23.336,1370 0.467,1371 0.361,1372 17.822,1373 22.531,1374 17.223,1375 14.484,1376 23.336,1377 18.033,1378 18.925,1379 0.296,1380 0.196,1381 18.925,1382 12.567,1383 16.129,1384 0.197,1385 0.116,1386 16.129,1387 9.486,1388 12.544,1389 0.131,1390 0.068,1391 12.544,1392 6.487,1393 9.342,1394 0.086,1395 0.038,1396 9.342,1397 4.101,1398 0.229,1399 145.462,1400 0.175,1401 43.796,1402 0.325,1403 228,1404 578.624,1405 246.235,1406 553.428,1407 753.57,1408 522,1409 260,1410 540.49,1411 279.07,1412 549.292,1413 795.8,1414 516,1415 5.03}
{0 CHEMBL540239,1 1.489,2 20.553,3 10.19,4 103.826,5 190.779,6 7.675,7 0.528,8 4.551,9 4.666,10 4.153,11 4.171,12 5.546,13 4.124,14 5.13,15 5.297,16 4.541,17 4.602,18 6.093,19 4.525,20 5.446,21 5.672,22 4.653,23 4.755,24 6.36,25 4.655,26 5.446,27 5.669,28 4.599,29 4.724,30 6.392,31 4.626,32 5.429,33 5.645,34 4.561,35 4.752,36 6.321,37 4.642,38 5.516,39 5.746,40 4.567,41 4.785,42 6.42,43 4.642,44 5.529,45 5.785,46 4.449,47 4.729,48 6.331,49 4.553,50 5.431,51 5.696,52 4.321,53 4.572,54 6.277,55 4.389,56 0.047,57 1.186,58 17.351,59 8.225,60 8.344,61 10.96,62 0.214,63 2.031,64 35.029,65 14.888,66 28.474,67 20.074,68 0.387,69 2.667,70 57.022,71 20.666,72 55.576,73 28.176,74 0.632,75 2.709,76 55.886,77 19.326,78 70.18,79 26.269,80 0.385,81 2.683,82 50.288,83 19.732,84 49.407,85 26.974,86 0.692,87 2.8,88 58.388,89 22.709,90 76.776,91 31.198,92 0.433,93 2.731,94 64.763,95 24.104,96 57.943,97 32.964,98 0.7,99 2.396,100 66.982,101 21.584,102 79.247,103 29.01,104 10,105 74,106 0.22,107 0.529,108 0.693,109 0.83,110 0.876,111 0.886,112 3.874,113 1.007,114 -6.52,115 -6.35,116 -5.89,121 44.8,123 11,127 3,144 10,145 6,146 4,148 4,160 1,176 20,180 12,183 1,185 5,187 26,192 12,197 6,200 19,205 1,206 13,209 1,211 8,214 23,219 4,224 3,227 27,231 2,232 6,235 2,237 4,239 34,244 3,249 1,251 25,256 7,260 1,261 2,264 22,269 5,274 2,277 16,281 5126,282 32.551,283 32.551,284 32.551,285 32.551,286 32.551,287 29.174,288 28.468,289 19.531,290 33.146,291 26.244,292 26.244,293 26.244,294 26.244,295 26.244,296 20.864,297 26.893,298 9.376,299 27.303,300 4.954,301 2.871,302 1.759,303 0.839,304 0.529,305 0.46,306 4.598,308 2,313 2175,314 4.359,318 880.676,322 834.89,325 3.005,326 37.716,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.49,337 98.667,338 966,339 4.69,340 3.568,341 6.908,342 4.259,343 3.283,344 4.614,345 1.058,346 11.64,347 3.201,348 4.651,349 3.411,350 6.833,351 4.214,352 3.235,353 4.582,354 0.86,355 11.364,356 3.165,357 4.222,358 3.373,359 6.28,360 3.846,361 2.847,362 3.845,363 0.4,364 9.413,365 2.84,366 3.993,367 2.948,368 6.004,369 3.607,370 2.626,371 3.534,373 8.477,374 2.572,375 3.99,376 2.943,377 5.97,378 3.58,379 2.61,380 3.49,382 8.356,383 2.532,384 3.745,385 2.686,386 5.64,387 3.322,388 2.357,389 3.177,391 7.36,392 2.268,393 3.584,394 2.562,395 5.427,396 3.193,397 2.252,398 2.966,400 6.886,401 2.103,402 3.581,403 2.541,404 5.096,405 3.126,406 2.225,407 2.961,409 6.156,410 1.949,411 3.365,412 2.272,413 4.899,414 2.902,415 1.986,416 2.699,418 5.573,419 1.875,420 3.077,421 1.962,422 4.759,423 2.862,424 1.886,425 2.304,427 4.951,428 1.704,429 2.956,430 1.94,431 4.257,432 2.632,433 1.674,434 2.025,436 4.068,437 1.602,438 2.85,439 1.865,440 4.121,441 2.613,442 1.64,443 1.872,445 3.726,446 1.564,447 2.68,448 1.752,449 3.978,450 2.44,451 1.46,452 1.723,454 3.402,455 1.424,456 2.613,457 1.677,458 3.958,459 2.407,460 1.443,461 1.634,463 3.262,464 1.38,465 2.529,466 1.516,467 3.817,468 2.356,469 1.373,470 1.518,472 3.236,473 1.331,474 23.195,475 0.494,476 0.969,477 0.021,478 58.25,479 1.239,480 28.5,481 0.606,482 29.75,483 0.633,484 52.027,485 1.107,486 49.405,487 0.568,488 45.503,489 0.968,490 10.313,491 0.219,492 12.733,493 0.271,494 0.076,496 0.323,501 0.698,502 1.156,503 0.65,504 0.937,505 0.56,506 0.902,507 0.785,508 1.172,509 0.729,510 0.983,511 0.56,512 0.975,513 0.954,514 1.056,515 0.824,516 0.912,517 0.784,518 0.876,519 1.195,520 0.986,521 0.876,522 0.899,523 1.173,524 0.925,525 0.971,526 1.053,527 0.772,528 0.967,529 0.996,530 1.012,531 0.711,532 1.029,533 0.803,534 1.046,535 0.802,536 1.09,537 0.861,538 1.049,539 0.921,540 1.055,541 0.973,542 1.071,543 1.198,544 0.874,545 1.183,546 0.999,547 1.455,548 1.009,549 7,550 0.181,551 5.111,552 2.875,553 3.004,554 1.528,555 1.045,556 0.661,557 0.5,558 0.269,559 54361,560 132457,561 2.178,562 46,563 14,564 16,567 2,568 2,569 6,572 1.828,573 2.089,574 4.202,575 0.031,582 129.528,583 1.489,584 3.572,585 4.684,586 5.604,587 5.914,588 5.983,589 3.662,590 5.427,591 5.533,592 4.48,593 4842.53,594 9.757,595 106178,600 560.536,601 1.209,602 5.508,603 0.132,604 0.005,605 0.069,606 0.035,607 0.04,608 0.021,609 0.015,610 0.012,611 0.011,612 0.006,613 0.345,614 0.17,615 0.5,616 0.372,617 287.788,618 -0.017,619 -0.024,620 0.03,621 0.02,622 0.011,623 0.041,624 0.026,625 -0.095,626 0.026,627 -0.026,628 0.099,629 -0.019,630 -0.014,631 -0.034,632 0.071,633 0.054,634 0.067,635 0.098,636 -0.062,637 0.081,638 -0.032,639 0.031,640 -0.057,641 0.014,642 -0.093,643 0.001,644 -0.045,645 -0.031,646 -0.081,647 -0.057,648 0.157,649 -0.035,650 -0.011,651 -0.082,652 0.093,653 -0.108,654 -0.013,655 -0.107,656 0.003,657 -0.06,658 -0.052,659 -0.059,660 -0.046,661 0.059,662 -0.045,663 0.01,664 -0.116,665 -0.003,666 1.725,667 6.095,668 0.723,669 69.509,670 0.994,671 1.117,672 5.294,673 28.027,674 0.691,675 3.989,676 4.317,677 4.635,678 4.949,679 5.278,680 5.416,681 5.591,682 5.756,683 5.878,684 5.846,685 12.001,686 0.646,687 667.73,688 3.989,689 5.541,690 6.409,691 7.298,692 8.188,693 9.089,694 9.99,695 10.897,696 11.804,697 12.716,698 4.6,703 1,705 1,708 2,714 4,715 10,716 2,720 10,722 28,729 1,734 1,739 1,740 2,741 87,743 29,744 3,745 53,747 93,748 39,749 24,750 8,751 10,752 1,756 7,757 13,758 2,767 6,770 11,772 25,773 14,777 1,782 1,786 1,793 40,794 6,795 2,796 8,797 2,802 4,808 0.429,809 2,822 2,829 7,833 4,859 3,865 2,868 47,876 14,877 2,878 1,892 2,893 2.3,896 1,898 1,901 22.5,902 15.602,903 10.278,904 6.008,907 5.323,908 1.548,909 1.026,910 10.138,911 15.043,912 4.234,913 4.864,914 5.514,915 6.162,916 6.828,917 7.247,918 7.704,919 8.15,920 8.561,921 8.713,922 1,923 81,924 17.482,926 7.557,927 0.026,929 7.537,931 34.439,933 29.512,936 2.037,937 95.722,941 447.302,942 178.842,943 69.593,944 78.297,945 36.145,948 178.842,949 561.744,950 69.593,952 54.694,953 94.762,954 81.431,955 53.691,957 447.302,958 78.297,959 447.302,960 248.435,961 36.145,962 78.297,964 376.675,965 106.771,968 64.496,969 132.357,970 129.879,972 447.302,973 105.737,974 257.139,977 447.302,978 84.08,979 94.762,980 36.022,981 148.013,982 447.302,983 105.737,984 257.139,986 0.577,987 0.339,988 0.192,989 0.115,990 36,991 15,992 0.118,993 11,994 4,995 1.235,996 5.75,997 494.502,998 0.235,999 34,1000 255.066,1005 32.184,1006 14.806,1007 7.232,1008 3.869,1009 105.737,1010 19.522,1011 9.927,1015 9.81,1017 36.022,1018 810.179,1019 68,1024 13.095,1028 -0.059,1031 86.498,1032 97.189,1034 0.231,1035 0.554,1036 0.727,1037 0.87,1038 0.918,1039 0.929,1040 5.481,1041 2.225,1042 6.382,1043 6.886,1044 5.004,1045 5.553,1046 1.617,1047 7.212,1048 4.932,1049 6.684,1050 1.986,1051 7.944,1052 6.156,1053 4.511,1054 5.434,1056 8.148,1057 4.383,1058 8.001,1059 1.886,1060 9.612,1061 5.573,1062 6.603,1063 7.826,1064 1.538,1065 11.307,1066 6.483,1067 9.359,1068 1.674,1069 11.346,1070 4.951,1071 6.976,1072 8.573,1074 13.118,1075 6.824,1076 10.755,1077 1.64,1078 13.123,1079 4.068,1080 8.502,1081 10.436,1082 1.532,1083 15.792,1084 8.346,1085 12.177,1086 1.46,1087 14.931,1088 3.726,1089 9.295,1090 11.583,1092 17.961,1093 9.116,1094 13.619,1095 1.443,1096 16.76,1097 3.402,1098 10.592,1099 13.238,1100 1.557,1101 20.476,1102 10.402,1103 3.283,1104 1.373,1105 18.605,1106 3.262,1107 11.587,1108 14.579,1110 22.797,1111 11.376,1112 3.235,1113 11.64,1114 20.464,1115 3.236,1116 12.795,1117 16.149,1118 1.603,1119 25.258,1120 12.569,1121 2.847,1122 11.364,1123 22.332,1124 4.614,1125 13.885,1126 17.584,1128 27.645,1129 13.636,1130 2.626,1131 9.413,1132 24.208,1133 4.582,1134 15.063,1135 19.121,1136 1.663,1137 30.09,1138 14.795,1139 2.61,1140 8.477,1141 26.091,1142 3.845,1143 16.197,1144 20.601,1146 32.506,1147 15.905,1148 2.357,1149 8.356,1150 27.98,1151 3.534,1152 17.367,1153 22.127,1154 1.734,1155 34.947,1156 17.053,1157 2.252,1158 7.36,1159 29.873,1160 3.49,1161 18.523,1162 23.629,1164 37.377,1165 18.184,1166 48960,1167 76745,1168 36.58,1169 60.114,1170 78.891,1171 81.19,1172 80.893,1173 79.148,1174 78.754,1175 101.537,1176 4.637,1177 226.508,1178 75.588,1179 5.656,1180 5.568,1181 6.817,1182 5.343,1183 5.283,1184 7.614,1185 2.117,1186 19.261,1187 5.201,1188 17.637,1189 1.489,1190 1.532,1191 1.526,1192 1.493,1193 1.486,1194 1.916,1195 0.087,1196 4.274,1197 1.426,1198 4.15,1199 4.174,1200 4.144,1201 4.078,1202 7.429,1203 4.083,1204 4.095,1205 4.119,1206 4.096,1207 4.028,1208 5.054,1209 4.033,1210 3.87,1211 3.891,1212 3.952,1213 3.825,1214 5.014,1215 3.816,1216 3.781,1217 3.844,1218 3.778,1219 3.665,1220 4.898,1221 3.651,1222 3.736,1223 3.78,1224 3.669,1225 3.644,1226 4.685,1227 3.63,1228 3.696,1229 3.737,1230 3.588,1231 3.576,1232 4.515,1233 3.573,1234 3.573,1235 3.646,1236 3.445,1237 3.401,1238 4.384,1239 3.394,1240 3.402,1241 3.462,1242 3.386,1243 3.229,1244 4.272,1245 3.235,1246 0.088,1247 0.067,1248 0.13,1249 0.08,1250 0.062,1251 4.69,1252 0.087,1253 3.568,1254 0.02,1255 6.908,1256 0.22,1257 4.259,1258 0.06,1259 3.283,1260 4.614,1261 1.058,1262 11.64,1263 3.201,1264 2.076,1265 2.06,1266 2.149,1267 2.162,1268 1.437,1269 2.159,1270 2.07,1271 2.047,1272 2.137,1273 2.158,1274 1.387,1275 2.155,1276 1.866,1277 1.846,1278 2.031,1279 1.96,1280 1.356,1281 1.985,1282 1.782,1283 1.721,1284 1.951,1285 1.923,1286 1.172,1287 1.941,1288 1.75,1289 1.709,1290 1.926,1291 1.863,1292 1.131,1293 1.892,1294 1.68,1295 1.641,1296 1.88,1297 1.843,1298 1.112,1299 1.856,1300 1.565,1301 1.493,1302 1.827,1303 1.768,1304 1.062,1305 1.792,1306 1.351,1307 1.298,1308 1.579,1309 1.581,1310 0.819,1311 1.583,1312 4.673,1314 5.999,1316 7.534,1318 9.176,1320 10.879,1323 12.407,1328 14.102,1329 6.876,1330 6.174,1340 56.179,1341 129.528,1342 310.737,1343 407.542,1344 487.517,1345 514.536,1346 520.536,1347 82.838,1348 9.72,1349 76.14,1350 76.14,1351 42,1352 13.231,1353 4.907,1354 4,1355 67.281,1356 354,1357 288,1358 0.09,1359 343.97,1360 597.28,1361 831.047,1362 376341,1363 2.3,1364 32.166,1365 0.684,1366 0.599,1367 33.166,1368 28.152,1369 23.047,1370 0.435,1371 0.336,1372 16.977,1373 21.975,1374 16.6,1375 13.661,1376 23.624,1377 17.79,1378 20.508,1379 0.277,1380 0.183,1381 21.325,1382 13.563,1383 17.783,1384 0.174,1385 0.097,1386 18.334,1387 9.884,1388 15.218,1389 0.109,1390 0.052,1391 15.619,1392 7.272,1393 13.482,1394 0.069,1395 0.029,1396 13.928,1397 5.577,1398 0.15,1399 147.842,1400 0.165,1401 42.203,1402 0.222,1403 254,1404 629.834,1405 298.345,1406 678.143,1407 931.5,1408 638,1409 303,1410 655.83,1411 336.99,1412 685.525,1413 1017.5,1414 652,1415 7.738}
{0 CHEMBL540240,1 1.434,2 19.913,3 9.104,4 82.877,5 185.922,6 7.279,7 0.538,8 4.548,9 4.666,10 4.107,11 4.158,12 5.532,13 4.11,14 5.126,15 5.297,16 4.478,17 4.585,18 6.067,19 4.506,20 5.439,21 5.668,22 4.581,23 4.736,24 6.323,25 4.635,26 5.44,27 5.667,28 4.552,29 4.717,30 6.353,31 4.615,32 5.433,33 5.654,34 4.531,35 4.75,36 6.314,37 4.637,38 5.517,39 5.749,40 4.481,41 4.772,42 6.375,43 4.629,44 5.522,45 5.779,46 4.329,47 4.71,48 6.309,49 4.528,50 5.429,51 5.709,52 4.164,53 4.548,54 6.239,55 4.346,56 0.063,57 1.198,58 18.359,59 8.375,60 8.959,61 11.279,62 0.235,63 2.048,64 35.707,65 14.926,66 27.123,67 20.405,68 0.408,69 2.687,70 54.388,71 20.09,72 51.676,73 27.87,74 0.606,75 2.721,76 54.049,77 19.128,78 63.898,79 26.623,80 0.377,81 2.702,82 51.348,83 19.969,84 49.324,85 27.723,86 0.538,87 2.823,88 58.112,89 22.329,90 62.912,91 30.692,92 0.451,93 2.732,94 62.414,95 23.646,96 58.416,97 32.662,98 0.703,99 2.429,100 61.137,101 21.838,102 77.51,103 30.591,104 5,105 72,106 0.212,107 0.521,108 0.71,109 0.857,110 0.886,111 0.893,112 3.853,113 0.996,114 -6.35,115 -6.19,116 -5.75,121 44.8,123 11,127 3,144 11,145 6,146 3,148 4,160 1,176 22,180 12,183 1,185 5,187 27,192 11,197 5,200 20,205 1,206 12,209 1,211 7,214 23,219 9,224 3,227 28,232 8,236 1,237 3,239 34,244 2,251 27,255 2,256 2,259 3,261 4,264 20,269 1,274 4,277 11,281 4832,282 32.051,283 32.051,284 32.051,285 32.051,286 32.051,287 28.636,288 29.469,289 19.375,290 32.507,291 25.783,292 25.783,293 25.783,294 25.783,295 25.783,296 20.369,297 27.302,298 9.319,299 26.563,300 5.009,301 2.926,302 1.644,303 0.652,304 0.46,305 0.414,306 4.58,308 1,313 2071,314 4.301,318 857.119,322 812.208,325 2.888,326 34.376,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.49,337 96.333,338 916,339 4.685,340 3.579,341 6.906,342 4.253,343 3.278,344 4.608,345 1.907,346 11.633,347 3.194,348 4.651,349 3.428,350 6.833,351 4.214,352 3.235,353 4.582,354 0.86,355 11.364,356 3.165,357 4.154,358 3.373,359 6.25,360 3.756,361 2.762,362 3.778,363 0.4,364 9.302,365 2.746,366 3.99,367 2.943,368 6.004,369 3.58,370 2.61,371 3.534,372 0.149,373 8.477,374 2.532,375 3.805,376 2.831,377 5.675,378 3.47,379 2.48,380 3.27,382 7.525,383 2.455,384 3.669,385 2.659,386 5.427,387 3.343,388 2.354,389 2.961,391 6.886,392 2.319,393 3.584,394 2.562,395 5.284,396 3.192,397 2.252,398 2.956,400 6.711,401 2.104,402 3.5,403 2.356,404 4.985,405 3.112,406 2.127,407 2.787,409 5.946,410 2.091,411 3.365,412 2.272,413 4.899,414 2.886,415 1.984,416 2.699,418 5.573,419 1.821,420 3.328,421 2.07,422 4.888,423 2.856,424 1.887,425 2.677,427 5.291,428 1.774,429 2.834,430 1.905,431 4.121,432 2.774,433 1.782,434 1.954,436 3.709,437 1.702,438 2.827,439 1.683,440 4.021,441 2.488,442 1.507,443 1.85,445 3.425,446 1.477,447 2.656,448 1.669,449 3.971,450 2.438,451 1.452,452 1.696,454 3.392,455 1.424,456 2.566,457 1.526,458 3.799,459 2.314,460 1.341,461 1.581,463 3.169,464 1.301,465 2.5,466 1.437,467 3.76,468 2.28,469 1.314,470 1.5,472 2.95,473 1.263,474 22.481,475 0.489,476 0.88,477 0.019,478 57.5,479 1.25,480 28.5,481 0.62,482 29,483 0.63,484 49.454,485 1.075,486 48.319,487 0.555,488 44.455,489 0.966,490 10.332,491 0.225,492 12.304,493 0.267,494 0.047,496 0.311,501 0.735,502 1.157,503 0.728,504 0.98,505 0.577,506 0.929,507 0.828,508 1.174,509 0.818,510 1.03,511 0.605,512 1.005,513 1.062,514 1.038,515 0.871,516 0.914,517 0.976,518 0.892,519 1.217,520 0.982,521 0.928,522 0.913,523 1.148,524 0.941,525 1.004,526 1.055,527 0.892,528 1.008,529 0.927,530 1.028,531 1.106,532 1.012,533 0.986,534 1.058,535 1.137,536 1.103,537 0.975,538 1.049,539 1.086,540 1.114,541 1.047,542 1.125,543 0.702,544 0.931,545 1.12,546 1.049,547 0.902,548 1.037,549 6.5,550 0.223,551 4.444,552 2.688,553 2.933,554 1.299,555 0.844,556 0.592,557 0.36,558 0.218,559 51576,560 115468,561 2.196,562 47.1,563 12,564 17,567 2,568 4,569 6,572 1.823,573 2.123,574 4.16,575 0.018,582 124.746,583 1.434,584 3.517,585 4.799,586 5.791,587 5.983,588 6.029,589 3.572,590 5.116,591 5.503,592 4.444,593 4599.45,594 9.697,595 99256.4,600 560.536,601 1.121,602 5.483,603 0.125,604 0.006,605 0.062,606 0.034,607 0.04,608 0.018,609 0.013,610 0.011,611 0.008,612 0.005,613 0.322,614 0.17,615 0.5,616 0.317,617 279.872,618 -0.011,619 -0.024,620 0.043,621 0.021,622 0.018,623 0.044,624 0.033,625 -0.098,626 0.012,627 -0.043,628 0.075,629 -0.032,630 -0.04,631 -0.012,632 0.061,633 0.057,634 -0.02,635 0.081,636 -0.046,637 0.08,638 -0.024,639 0.032,640 -0.065,641 0.006,642 -0.082,643 -0.011,644 -0.051,645 -0.044,646 -0.034,647 -0.059,648 -0.078,649 -0.015,650 -0.1,651 -0.082,652 -0.09,653 -0.125,654 -0.06,655 -0.111,656 -0.089,657 -0.11,658 -0.077,659 -0.117,660 0.224,661 -0.02,662 -0.009,663 -0.037,664 0.144,665 -0.018,666 1.567,667 5.697,668 0.739,669 64.873,670 0.991,671 1.118,672 5.124,673 26.258,674 0.681,675 3.97,676 4.29,677 4.605,678 4.927,679 5.252,680 5.371,681 5.549,682 5.71,683 5.814,684 5.771,685 11.776,686 0.636,687 633.29,688 3.97,689 5.517,690 6.382,691 7.269,692 8.156,693 9.055,694 9.954,695 10.859,696 11.764,697 12.674,698 4.6,703 1,705 1,708 2,714 4,715 11,716 2,720 9,722 28,734 1,739 1,740 1,741 87,743 29,744 3,745 52,747 93,748 39,749 24,750 7,751 11,756 7,757 13,758 1,767 6,770 11,772 25,773 14,777 1,782 1,786 1,793 41,794 6,795 2,796 7,797 1,802 4,808 0.429,809 2,822 2,829 7,833 4,843 1,859 3,865 1,868 46,876 14,877 2,878 1,892 1,893 2.3,896 1,898 1,901 21.667,902 15.543,903 10.083,904 5.965,907 5.285,908 1.548,909 1.028,910 9.695,911 14.929,912 4.22,913 4.84,914 5.48,915 6.133,916 6.793,917 7.185,918 7.644,919 8.089,920 8.468,921 8.581,922 0.923,923 78,924 17.118,926 7.373,927 0.026,929 7.499,931 33.879,933 29.033,936 1.999,937 91.944,941 459.073,942 184.818,943 69.593,944 39.149,945 36.145,948 184.818,949 534.366,950 69.593,952 54.694,953 104.239,954 81.431,955 50.191,957 459.073,958 39.149,959 459.073,960 254.41,961 36.145,962 39.149,964 388.446,965 106.771,968 64.496,969 138.332,970 90.73,972 459.073,973 105.737,974 223.966,977 459.073,978 80.579,979 104.239,980 36.022,981 108.865,982 459.073,983 105.737,984 223.966,986 0.573,987 0.336,988 0.194,989 0.117,990 35,991 14,992 0.118,993 11,994 4,995 1.235,996 5.705,997 479.532,998 0.235,999 34,1000 250.084,1005 30.963,1006 14.403,1007 7.042,1008 4.113,1009 105.737,1010 22.706,1011 9.975,1015 9.965,1017 36.022,1018 788.777,1019 67,1024 12.697,1028 0.1,1031 86.174,1032 97.245,1034 0.223,1035 0.546,1036 0.745,1037 0.899,1038 0.929,1039 0.936,1040 5.46,1041 2.127,1042 6.347,1043 6.711,1044 4.977,1045 5.529,1046 2.18,1047 7.169,1048 4.921,1049 6.656,1050 1.984,1051 7.901,1052 5.946,1053 4.443,1054 5.373,1055 1.593,1056 8.089,1057 4.353,1058 7.968,1059 1.887,1060 9.562,1061 5.573,1062 6.564,1063 7.791,1064 2.965,1065 11.255,1066 6.464,1067 9.32,1068 1.782,1069 11.29,1070 5.291,1071 6.909,1072 8.514,1073 3.032,1074 13.066,1075 6.783,1076 10.71,1077 1.507,1078 13.064,1079 3.709,1080 8.453,1081 10.394,1082 4.052,1083 15.746,1084 8.313,1085 12.128,1086 1.452,1087 14.869,1088 3.425,1089 9.229,1090 11.531,1091 4.409,1092 17.921,1093 9.065,1094 13.567,1095 1.341,1096 16.697,1097 3.392,1098 10.537,1099 13.196,1100 5.254,1101 20.441,1102 10.356,1103 3.278,1104 1.314,1105 18.543,1106 3.169,1107 11.526,1108 14.537,1109 5.75,1110 22.767,1111 11.319,1112 3.235,1113 11.633,1114 20.402,1115 2.95,1116 12.74,1117 16.113,1118 6.502,1119 25.233,1120 12.514,1121 2.762,1122 11.364,1123 22.272,1124 4.608,1125 13.83,1126 17.55,1127 7.068,1128 27.624,1129 13.577,1130 2.61,1131 9.302,1132 24.151,1133 4.582,1134 15.012,1135 19.091,1136 7.771,1137 30.072,1138 14.737,1139 2.48,1140 8.477,1141 26.037,1142 3.778,1143 16.147,1144 20.573,1145 8.374,1146 32.49,1147 15.846,1148 2.354,1149 7.525,1150 27.929,1151 3.534,1152 17.321,1153 22.101,1154 9.051,1155 34.933,1156 16.996,1157 2.252,1158 6.886,1159 29.826,1160 3.27,1161 18.478,1162 23.605,1163 9.674,1164 37.365,1165 18.127,1166 46261,1167 69440,1168 36.175,1169 59.256,1170 77.141,1171 79.103,1172 78.549,1173 77.348,1174 77.157,1175 99.787,1176 6.632,1177 219.842,1178 74.804,1179 5.65,1180 5.579,1181 6.768,1182 5.337,1183 5.278,1184 7.608,1185 3.306,1186 19.252,1187 5.194,1188 13.999,1189 1.483,1190 1.521,1191 1.511,1192 1.487,1193 1.484,1194 1.919,1195 0.128,1196 4.228,1197 1.439,1198 4.15,1199 4.175,1200 4.138,1201 4.079,1202 7.429,1203 4.084,1204 4.095,1205 4.119,1206 4.085,1207 4.029,1208 5.049,1209 4.033,1210 3.865,1211 3.895,1212 3.796,1213 3.814,1214 5.006,1215 3.806,1216 3.773,1217 3.832,1218 3.778,1219 3.663,1220 4.721,1221 3.648,1222 3.736,1223 3.78,1224 3.655,1225 3.619,1226 4.685,1227 3.616,1228 3.696,1229 3.745,1230 3.569,1231 3.578,1232 4.524,1233 3.567,1234 3.583,1235 3.64,1236 3.467,1237 3.409,1238 4.288,1239 3.413,1240 3.404,1241 3.479,1242 3.388,1243 3.245,1244 4.257,1245 3.237,1246 0.09,1247 0.069,1248 0.133,1249 0.082,1250 0.063,1251 4.685,1252 0.089,1253 3.579,1254 0.037,1255 6.906,1256 0.224,1257 4.253,1258 0.061,1259 3.278,1260 4.608,1261 1.907,1262 11.633,1263 3.194,1264 2.081,1265 2.063,1266 2.151,1267 2.165,1268 1.436,1269 2.161,1270 2.07,1271 2.047,1272 2.149,1273 2.158,1274 1.372,1275 2.158,1276 1.876,1277 1.85,1278 2.005,1279 1.962,1280 1.333,1281 1.977,1282 1.751,1283 1.71,1284 1.987,1285 1.928,1286 1.218,1287 1.949,1288 1.749,1289 1.691,1290 1.925,1291 1.864,1292 1.147,1293 1.892,1294 1.698,1295 1.651,1296 1.906,1297 1.853,1298 1.077,1299 1.873,1300 1.546,1301 1.492,1302 1.763,1303 1.757,1304 0.987,1305 1.762,1306 1.394,1307 1.323,1308 1.66,1309 1.603,1310 0.932,1311 1.627,1312 4.654,1314 5.974,1316 7.504,1318 9.141,1320 10.841,1323 6.272,1328 13.042,1329 6.86,1330 6.214,1340 55.352,1341 124.746,1342 305.948,1343 417.489,1344 503.781,1345 520.536,1346 524.536,1347 77.468,1348 9.644,1349 76.14,1350 76.14,1351 42,1352 13.191,1353 4.907,1354 4,1355 65.138,1356 340,1357 258,1358 0.09,1359 335.637,1360 582.07,1361 810.714,1362 344762,1363 1.1,1364 31.296,1365 0.68,1366 0.589,1367 31.796,1368 27.095,1369 22.636,1370 0.435,1371 0.332,1372 16.804,1373 21.867,1374 16.455,1375 13.543,1376 22.925,1377 17.27,1378 19.991,1379 0.278,1380 0.18,1381 20.399,1382 12.992,1383 17.24,1384 0.174,1385 0.096,1386 17.503,1387 9.541,1388 14.97,1389 0.109,1390 0.052,1391 15.205,1392 7.112,1393 13.305,1394 0.07,1395 0.029,1396 13.537,1397 5.432,1398 0.151,1399 142.203,1400 0.166,1401 41.487,1402 0.223,1403 248,1404 595.63,1405 276.826,1406 615.844,1407 858.07,1408 582,1409 295,1410 624.968,1411 318.733,1412 644.648,1413 954.78,1414 614,1415 8.016}
{0 CHEMBL540352,1 1.413,2 9.1,3 3.118,4 9.723,5 80.509,6 6.282,7 0.286,8 3.84,9 3.978,10 3.253,11 3.314,12 4.803,13 3.265,14 4.424,15 4.641,16 3.578,17 3.696,18 5.363,19 3.612,20 4.653,21 4.901,22 3.605,23 3.808,24 5.52,25 3.7,26 4.689,27 4.931,28 3.502,29 3.762,30 5.649,31 3.646,32 4.618,33 4.881,34 3.399,35 3.675,36 5.505,37 3.544,38 4.452,39 4.688,40 3.293,41 3.633,42 5.303,43 3.494,44 4.495,45 4.764,46 3.204,47 3.578,48 5.344,49 3.405,50 4.38,51 4.661,52 2.956,53 3.383,54 5.207,55 3.213,56 0.038,57 0.611,58 10.746,59 4.165,60 6.24,61 6.028,62 0.356,63 0.956,64 19.674,65 6.625,66 26.584,67 9.993,68 0.204,69 1.101,70 24.366,71 8.158,72 23.748,73 12.268,74 0.333,75 1.059,76 25.747,77 8.046,78 46.482,79 11.91,80 0.338,81 0.964,82 23.724,83 7.693,84 37.632,85 11.362,86 0.19,87 0.892,88 19.818,89 7.159,90 22.083,91 10.397,92 0.237,93 0.886,94 20.567,95 7.285,96 25.722,97 10.768,98 0.239,99 0.748,100 18.526,101 5.767,102 29.789,103 8.818,104 30,105 28,106 0.252,107 0.552,108 0.798,109 0.874,110 0.874,111 0.874,112 3.057,113 1.063,114 -3.85,115 -3.81,116 -3.62,121 36.4,122 2,123 3,126 1,127 2,129 1,144 3,145 2,146 1,161 1,176 7,179 3,180 3,185 3,187 8,192 2,197 4,200 6,206 7,211 1,214 3,219 6,222 1,224 1,227 5,232 2,239 6,244 5,247 2,251 4,256 1,264 2,269 2,274 1,277 2,281 474,282 13.516,283 13.516,284 13.516,285 13.516,286 13.516,287 12.687,288 20.126,289 8.119,290 13.835,291 10.242,292 10.242,293 10.242,294 10.242,295 10.242,296 8.852,297 25.165,298 3.714,299 10.693,300 4.046,301 2.362,302 0.978,303 0.551,304 0.551,305 0.551,306 3.714,310 1,311 1,312 1,313 368,314 3.606,317 46.42,318 52.019,321 82.392,325 1.42,326 16.002,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 43,338 182,339 4.382,340 3.774,341 6.547,342 4.083,343 3.096,344 3.98,345 2.208,346 10.365,347 3.058,348 3.94,349 3.352,350 5.91,351 3.665,352 2.738,353 3.16,354 0.657,355 8.134,356 2.517,357 3.534,358 2.62,359 5.27,360 3.225,361 2.275,362 2.774,363 0.655,364 6.598,365 2.155,366 3.171,367 2.291,368 5.092,369 2.937,370 1.972,371 2.301,372 0.13,373 5.909,374 1.9,375 2.657,376 2.133,377 4.171,378 2.438,379 1.456,380 1.689,382 3.576,383 1.427,384 2.525,385 1.637,386 3.84,387 2.27,388 1.3,389 1.461,391 2.912,392 1.248,393 2.326,394 1.295,395 3.451,396 2.16,397 1.169,398 1.313,400 2.551,401 1.15,402 1.923,403 0.957,404 3.199,405 1.728,406 0.741,407 0.845,409 1.629,410 0.729,411 1.318,412 0.653,413 2.74,414 1.186,415 0.231,416 0.24,418 0.379,419 0.219,420 1.196,421 0.406,422 2.437,423 1.11,424 0.143,425 0.147,427 0.201,428 0.137,429 1.053,430 0.337,431 2.26,432 0.733,433 -0.24,434 -0.291,436 -0.546,437 -0.229,438 0.582,439 -0.289,440 2,441 0.205,442 -0.775,443 -0.872,445 -1.675,446 -0.752,447 0.507,448 -0.663,449 1.929,450 0.141,451 -0.858,452 -1.157,454 -2.401,455 -0.855,456 -0.008,457 -0.775,458 1.59,459 -0.148,460 -1.137,461 -1.296,463 -2.708,464 -1.118,465 -0.194,466 -0.971,467 1.289,468 -0.368,469 -1.305,470 -1.381,472 -2.836,473 -1.223,474 9.467,475 0.473,476 0.435,477 0.022,478 20.5,479 1.025,480 8,481 0.4,482 12.5,483 0.625,484 18.117,485 0.906,486 23.533,487 0.535,488 13.482,489 0.674,490 3.795,491 0.19,492 5.857,493 0.293,494 0.194,496 0.306,501 0.802,502 1.553,503 0.962,504 1.339,505 0.619,506 1.19,507 0.659,508 1.028,509 0.923,510 0.979,511 0.449,512 0.971,513 0.986,514 1.109,515 0.934,516 1.058,517 0.685,518 0.991,519 1.646,520 1.032,521 1.162,522 1.014,523 1.608,524 1.027,525 1.327,526 0.895,527 0.988,528 0.892,529 1.433,530 0.903,531 1.112,532 1.134,533 1.118,534 1.149,535 0.952,536 1.144,537 0.721,538 1.115,539 1,540 1.171,541 0.922,542 1.137,543 1.313,544 0.963,545 1.113,546 0.952,547 1.56,548 0.999,549 4,550 0.033,551 2.444,552 1.229,553 0.893,554 0.479,555 0.426,556 0.333,557 0.177,558 0.085,559 3442,560 7200,561 1.966,562 54.5,563 5,564 11,567 1,569 7,572 1.618,573 1.818,574 3.179,575 -0.32,577 1,579 1,582 62.176,583 1.413,584 3.097,585 4.482,586 4.908,587 4.908,588 4.908,589 2.709,590 3.846,591 4.287,592 3.286,593 624.28,594 7.331,595 6429.6,597 1,599 1,600 240.215,601 1.485,602 4.237,603 0.19,604 0.007,605 0.087,606 0.044,607 0.037,608 0.022,609 0.021,610 0.02,611 0.014,612 0.011,613 0.452,614 0.67,615 1,616 1.893,617 89.008,619 -0.221,620 0.052,621 -0.105,622 -0.028,623 -0.032,624 0.305,625 0.139,626 0.091,627 0.076,628 0.207,629 0.061,630 -0.02,631 -0.059,632 0.057,633 -0.043,634 0.063,635 0.014,636 -0.198,637 -0.04,638 -0.12,639 -0.04,640 -0.115,641 -0.066,642 -0.05,643 0.051,644 0.024,645 0.073,646 -0.067,647 0.058,648 -0.116,649 -0.099,650 -0.135,651 -0.094,652 -0.103,653 -0.116,654 0.114,655 -0.137,656 -0.045,657 -0.166,658 0.007,659 -0.138,660 -0.163,661 -0.025,662 -0.119,663 -0.02,664 -0.163,665 -0.059,666 1.969,667 4.785,668 0.45,669 16.34,670 0.99,671 1.136,672 2.624,673 6.885,674 0.62,675 3.091,676 3.367,677 3.611,678 3.807,679 3.97,680 4.043,681 4.159,682 4.248,683 4.078,684 3.951,685 5.311,686 0.574,687 276.42,688 3.091,689 4.595,690 5.425,691 6.282,692 7.14,693 8.009,694 8.878,695 9.753,696 10.628,697 11.506,698 4.5,700 1,705 1,715 3,720 3,722 6,737 1,741 44,743 7,744 1,745 21,747 45,748 16,749 6,750 3,751 3,756 2,757 3,763 2,767 3,770 4,772 7,773 9,777 1,782 1,786 1,789 1,790 1,793 24,794 4,795 1,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,853 1,859 1,864 3,868 20,876 5,877 1,878 1,880 1,881 1,893 4.5,896 1,898 1,901 11,902 8.617,903 4.667,904 3.065,907 1.299,908 1.204,909 0.922,910 5.296,911 7.683,912 3.258,913 3.726,914 4.193,915 4.658,916 5.121,917 5.301,918 5.587,919 5.802,920 5.614,921 5.518,922 1,923 28,924 7.429,926 2.998,927 0.026,929 7.625,931 14.542,933 11.599,936 2.125,937 42.5,938 0.001,941 270.735,942 84.668,943 21.135,945 36.145,948 84.668,949 306.88,950 21.135,951 26.047,952 14.939,953 46.439,954 25.145,955 22.614,956 6.763,957 270.735,959 270.735,960 105.803,961 36.145,964 188.338,965 118.543,968 50.6,969 55.202,972 270.735,973 57.28,974 84.668,977 270.735,978 30.192,979 57.6,980 18.011,981 36.145,982 270.735,983 57.28,984 84.668,986 0.563,987 0.333,988 0.165,989 0.088,990 12,991 6,992 0.133,993 6,994 1,995 1.222,996 3.202,997 140.574,998 0.222,999 9,1000 84.439,1005 15.173,1006 6.98,1007 3.673,1009 57.28,1010 5.983,1015 3.282,1017 18.011,1018 412.683,1019 25,1024 11.785,1028 -0.302,1031 43.578,1032 49.983,1034 0.259,1035 0.567,1036 0.821,1037 0.899,1038 0.899,1039 0.899,1040 4.483,1041 0.741,1042 5.398,1043 2.551,1044 4.043,1045 4.407,1046 2.401,1047 6.184,1048 3.964,1049 5.636,1050 0.231,1051 6.948,1052 1.629,1053 3.611,1054 4.182,1055 1.847,1056 7.066,1057 3.489,1058 6.917,1059 0.143,1060 8.6,1061 0.379,1062 5.609,1063 6.443,1064 3.538,1065 10.14,1066 5.456,1067 8.236,1068 -0.24,1069 10.31,1070 0.201,1071 6.019,1072 7.04,1073 3.656,1074 11.855,1075 5.835,1076 9.59,1077 -0.775,1078 12.057,1079 -0.546,1080 7.474,1081 8.814,1082 4.957,1083 14.44,1084 7.267,1085 10.967,1086 -0.858,1087 13.83,1088 -1.675,1089 8.263,1090 9.779,1091 5.37,1092 16.505,1093 8.041,1094 12.362,1095 -1.137,1096 15.622,1097 -2.401,1098 9.506,1099 11.358,1100 6.458,1101 18.924,1102 9.267,1103 3.096,1104 -1.305,1105 17.427,1106 -2.708,1107 10.471,1108 12.509,1109 7.028,1110 21.142,1111 10.224,1112 2.738,1113 10.365,1114 19.243,1115 -2.836,1116 11.63,1117 13.995,1118 7.994,1119 23.502,1120 11.372,1121 2.275,1122 8.134,1123 21.069,1124 3.98,1125 12.675,1126 15.245,1127 8.654,1128 25.786,1129 12.412,1130 1.972,1131 6.598,1132 22.901,1133 3.16,1134 13.803,1135 16.684,1136 9.549,1137 28.127,1138 13.533,1139 1.456,1140 5.909,1141 24.74,1142 2.774,1143 14.885,1144 17.991,1145 10.263,1146 30.44,1147 14.612,1148 1.3,1149 3.576,1150 26.583,1151 2.301,1152 16.004,1153 19.404,1154 11.116,1155 32.776,1156 15.725,1157 1.169,1158 2.912,1159 28.431,1160 1.689,1161 17.105,1162 20.742,1163 11.862,1164 35.102,1165 16.822,1166 3604,1167 5330,1168 13.523,1169 27.296,1170 30.133,1171 31.111,1172 32.439,1173 30.268,1174 30.24,1175 35.824,1176 7.3,1177 84.509,1178 29.079,1179 5.286,1180 5.774,1181 6.409,1182 5.153,1183 5.096,1184 6.98,1185 3.912,1186 17.023,1187 5.058,1188 11.16,1189 1.435,1190 1.481,1191 1.545,1192 1.441,1193 1.44,1194 1.706,1195 0.348,1196 4.024,1197 1.385,1198 4.033,1199 4.063,1200 3.972,1201 3.963,1202 7.433,1203 3.961,1204 3.695,1205 3.757,1206 3.601,1207 3.473,1208 4.813,1209 3.479,1210 3.626,1211 3.704,1212 3.463,1213 3.44,1214 4.367,1215 3.443,1216 3.43,1217 3.488,1218 3.272,1219 3.292,1220 4.239,1221 3.278,1222 3.199,1223 3.278,1224 3.022,1225 2.956,1226 4.106,1227 2.96,1228 3.074,1229 3.175,1230 2.869,1231 2.878,1232 3.883,1233 2.864,1234 2.942,1235 2.998,1236 2.699,1237 2.663,1238 3.737,1239 2.657,1240 2.83,1241 2.905,1242 2.622,1243 2.61,1244 3.599,1245 2.616,1246 0.209,1247 0.18,1248 0.312,1249 0.194,1250 0.147,1251 4.382,1252 0.19,1253 3.774,1254 0.105,1255 6.547,1256 0.494,1257 4.083,1258 0.146,1259 3.096,1260 3.98,1261 2.208,1262 10.365,1263 3.058,1264 1.894,1265 1.876,1266 1.993,1267 1.992,1268 1.232,1269 1.991,1270 1.676,1271 1.605,1272 1.934,1273 1.884,1274 1.175,1275 1.9,1276 1.604,1277 1.53,1278 1.872,1279 1.848,1280 1.091,1281 1.86,1282 1.51,1283 1.44,1284 1.79,1285 1.688,1286 1.038,1287 1.728,1288 1.197,1289 1.13,1290 1.568,1291 1.48,1292 0.624,1293 1.509,1294 1.099,1295 1.017,1296 1.417,1297 1.358,1298 0.554,1299 1.383,1300 0.889,1301 0.809,1302 1.221,1303 1.209,1304 0.415,1305 1.197,1306 0.838,1307 0.77,1308 1.101,1309 1.065,1310 0.164,1311 1.097,1312 3.761,1314 5.043,1315 2.398,1316 6.521,1317 4.727,1318 8.089,1319 6.823,1320 9.71,1322 5.831,1328 5.014,1329 3.551,1330 5.404,1332 0.396,1333 1.556,1340 25.267,1341 62.176,1342 136.267,1343 197.195,1344 215.95,1345 215.95,1346 215.95,1347 33.775,1348 6.384,1349 41.57,1350 41.57,1351 11,1352 12.044,1353 3,1354 2.322,1355 36.418,1356 64,1357 67,1358 0.294,1359 159.333,1360 278.76,1361 380.532,1362 4092,1364 14.535,1365 0.727,1366 0.63,1367 14.535,1368 12.609,1369 9.651,1370 0.46,1371 0.354,1372 7.348,1373 9.281,1374 7.089,1375 5.978,1376 9.651,1377 7.444,1378 8.181,1379 0.292,1380 0.189,1381 8.181,1382 5.288,1383 6.919,1384 0.192,1385 0.106,1386 6.919,1387 3.827,1388 5.136,1389 0.117,1390 0.056,1391 5.136,1392 2.482,1393 3.918,1394 0.075,1395 0.032,1396 3.918,1397 1.639,1398 0.454,1399 60.416,1400 0.272,1401 19.955,1402 0.819,1403 98,1404 265.449,1405 108.555,1406 251.815,1407 343.25,1408 236,1409 113,1410 252.782,1411 122.977,1412 253.906,1413 371.58,1414 238,1415 5.444}
{0 CHEMBL540742,1 1.501,2 19.717,3 9.733,4 94.737,5 186.178,6 7.782,7 0.538,8 4.521,9 4.633,10 4.134,11 4.143,12 5.526,13 4.099,14 5.096,15 5.26,16 4.527,17 4.575,18 6.072,19 4.501,20 5.409,21 5.631,22 4.64,23 4.728,24 6.338,25 4.632,26 5.41,27 5.628,28 4.586,29 4.696,30 6.371,31 4.603,32 5.392,33 5.603,34 4.547,35 4.725,36 6.299,37 4.619,38 5.482,39 5.708,40 4.553,41 4.759,42 6.399,43 4.619,44 5.495,45 5.748,46 4.434,47 4.703,48 6.311,49 4.529,50 5.392,51 5.654,52 4.302,53 4.541,54 6.248,55 4.361,56 0.04,57 1.145,58 16.369,59 7.853,60 8.105,61 10.389,62 0.202,63 1.962,64 33.225,65 14.236,66 27.795,67 19.06,68 0.371,69 2.58,70 54.627,71 19.824,72 54.531,73 26.833,74 0.617,75 2.623,76 53.409,77 18.486,78 69.24,79 24.874,80 0.369,81 2.595,82 47.689,83 18.848,84 48.381,85 25.553,86 0.674,87 2.714,88 55.867,89 21.851,90 75.828,91 29.85,92 0.444,93 2.652,94 62.574,95 23.359,96 58.82,97 31.782,98 0.648,99 2.303,100 64.752,101 20.91,102 77.928,103 27.925,104 10,105 73,106 0.224,107 0.539,108 0.705,109 0.836,110 0.874,111 0.885,112 3.853,113 0.998,114 -6.35,115 -6.19,116 -5.75,121 45.2,123 10,127 3,144 10,145 6,146 4,148 4,160 1,176 19,180 12,183 1,185 5,187 25,192 12,197 6,200 18,205 1,206 13,209 1,211 8,214 22,219 4,224 3,227 27,231 2,232 6,235 2,237 2,239 34,244 3,248 1,249 1,251 25,256 6,261 2,264 19,269 5,272 1,274 5,277 12,281 4772,282 31.844,283 31.844,284 31.844,285 31.844,286 31.844,287 28.467,288 28.468,289 19.031,290 32.439,291 25.744,292 25.744,293 25.744,294 25.744,295 25.744,296 20.364,297 26.893,298 9.126,299 26.803,300 4.891,301 2.774,302 1.661,303 0.78,304 0.524,305 0.452,306 4.578,308 2,313 2045,314 4.243,318 842.814,322 798.119,325 2.885,326 37.669,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.67,335 1,336 0.59,337 96.667,338 907,339 4.69,340 3.568,341 6.908,342 4.259,343 3.283,344 4.614,345 1.058,346 11.64,347 3.201,348 4.651,349 3.411,350 6.833,351 4.214,352 3.235,353 4.582,354 0.86,355 11.364,356 3.165,357 4.222,358 3.373,359 6.28,360 3.846,361 2.847,362 3.845,363 0.4,364 9.413,365 2.84,366 3.993,367 2.948,368 6.004,369 3.607,370 2.626,371 3.534,373 8.477,374 2.572,375 3.99,376 2.943,377 5.97,378 3.58,379 2.61,380 3.49,382 8.356,383 2.532,384 3.745,385 2.686,386 5.64,387 3.322,388 2.357,389 3.177,391 7.36,392 2.268,393 3.584,394 2.562,395 5.427,396 3.192,397 2.252,398 2.966,400 6.886,401 2.103,402 3.581,403 2.541,404 5.096,405 3.126,406 2.225,407 2.961,409 6.156,410 1.949,411 3.365,412 2.272,413 4.899,414 2.893,415 1.986,416 2.699,418 5.573,419 1.846,420 3.077,421 1.962,422 4.759,423 2.843,424 1.862,425 2.304,427 4.951,428 1.703,429 2.952,430 1.93,431 4.257,432 2.624,433 1.669,434 2.024,436 4.066,437 1.564,438 2.825,439 1.861,440 4.121,441 2.567,442 1.594,443 1.848,445 3.671,446 1.546,447 2.665,448 1.714,449 3.974,450 2.433,451 1.453,452 1.705,454 3.391,455 1.419,456 2.612,457 1.677,458 3.957,459 2.398,460 1.438,461 1.631,463 3.261,464 1.358,465 2.5,466 1.473,467 3.784,468 2.296,469 1.308,470 1.5,472 3.173,473 1.284,474 22.695,475 0.493,476 0.969,477 0.021,478 57.75,479 1.255,480 28.5,481 0.62,482 29.25,483 0.636,484 49.976,485 1.086,486 48.105,487 0.573,488 45.344,489 0.986,490 10.313,491 0.224,492 12.233,493 0.266,494 0.078,496 0.33,501 0.698,502 1.147,503 0.638,504 0.924,505 0.561,506 0.888,507 0.787,508 1.164,509 0.719,510 0.971,511 0.562,512 0.962,513 0.963,514 1.06,515 0.828,516 0.913,517 0.792,518 0.876,519 1.208,520 0.988,521 0.881,522 0.9,523 1.187,524 0.927,525 0.98,526 1.057,527 0.774,528 0.971,529 1.008,530 1.018,531 0.715,532 1.032,533 0.805,534 1.052,535 0.808,536 1.099,537 0.851,538 1.023,539 0.925,540 1.055,541 0.975,542 1.077,543 1.198,544 0.918,545 1.193,546 1.026,547 1.465,548 1.028,549 7,550 0.165,551 5.111,552 2.875,553 3.004,554 1.528,555 1.045,556 0.661,557 0.5,558 0.249,559 50072,560 123640,561 2.182,562 45.2,563 12,564 16,567 2,568 2,569 6,572 1.824,573 2.091,574 4.149,575 0.04,582 126.112,583 1.501,584 3.618,585 4.731,586 5.612,587 5.869,588 5.94,589 3.59,590 5.263,591 5.502,592 4.419,593 4573.23,594 9.701,595 96996.2,600 536.955,601 1.22,602 5.476,603 0.135,604 0.004,605 0.07,606 0.036,607 0.04,608 0.021,609 0.016,610 0.012,611 0.011,612 0.006,613 0.35,614 0.17,615 0.63,616 0.377,617 278.749,618 -0.02,619 -0.024,620 0.029,621 0.02,622 0.007,623 0.042,624 0.023,625 -0.091,626 0.027,627 -0.021,628 0.095,629 -0.015,630 -0.021,631 -0.037,632 0.065,633 0.051,634 0.06,635 0.095,636 -0.072,637 0.082,638 -0.042,639 0.027,640 -0.068,641 0.007,642 -0.102,643 -0.002,644 -0.055,645 -0.039,646 -0.091,647 -0.068,648 0.154,649 -0.038,650 -0.017,651 -0.089,652 0.087,653 -0.119,654 -0.001,655 -0.082,657 -0.058,658 -0.053,659 -0.063,660 -0.058,661 0.008,662 -0.049,663 -0.009,664 -0.123,665 -0.013,666 1.732,667 6.106,668 0.739,669 65.565,670 0.995,671 1.116,672 5.124,673 26.258,674 0.695,675 3.97,676 4.304,677 4.625,678 4.942,679 5.273,680 5.412,681 5.587,682 5.753,683 5.875,684 5.844,685 11.488,686 0.651,687 653.7,688 3.97,689 5.525,690 6.395,691 7.287,692 8.179,693 9.081,694 9.984,695 10.893,696 11.8,697 12.713,698 4.8,703 1,705 1,708 2,714 4,715 10,716 2,720 10,722 28,729 1,734 1,739 1,740 2,741 84,743 29,744 3,745 52,747 90,748 38,749 24,750 8,751 10,752 1,756 7,757 13,758 2,767 6,770 10,772 25,773 13,777 1,782 1,786 1,793 38,794 6,795 2,796 8,797 2,802 4,808 0.429,809 2,822 2,829 7,833 4,859 3,865 2,868 46,876 13,877 2,878 1,892 2,893 2.4,896 1,898 1,901 22,902 15.102,903 10.028,904 5.758,907 5.337,908 1.55,909 1.03,910 9.622,911 15.042,912 4.22,913 4.856,914 5.51,915 6.16,916 6.827,917 7.246,918 7.703,919 8.15,920 8.561,921 8.713,922 0.923,923 80,924 17.104,926 7.415,927 0.026,929 7.548,931 33.623,933 28.845,936 2.048,937 94.222,941 423.76,942 176.308,943 69.593,944 78.297,945 36.145,948 176.308,949 538.202,950 69.593,952 52.16,953 94.762,954 81.431,955 53.691,957 423.76,958 78.297,959 423.76,960 245.9,961 36.145,962 78.297,964 353.133,965 106.771,968 61.962,969 132.357,970 129.879,972 423.76,973 105.737,974 254.605,977 423.76,978 81.545,979 94.762,980 36.022,981 148.013,982 423.76,983 105.737,984 254.605,986 0.578,987 0.341,988 0.193,989 0.117,990 36,991 15,992 0.111,993 10,994 4,995 1.235,996 5.637,997 485.588,998 0.235,999 34,1000 250.084,1005 31.234,1006 14.17,1007 6.861,1008 3.842,1009 105.737,1010 19.484,1011 9.921,1015 9.753,1017 36.022,1018 784.102,1019 67,1024 13.106,1028 -0.065,1031 83.614,1032 93.774,1034 0.235,1035 0.566,1036 0.74,1037 0.878,1038 0.918,1039 0.929,1040 5.468,1041 2.225,1042 6.372,1043 6.886,1044 4.99,1045 5.545,1046 1.617,1047 7.206,1048 4.918,1049 6.675,1050 1.986,1051 7.937,1052 6.156,1053 4.511,1054 5.434,1056 8.148,1057 4.383,1058 7.995,1059 1.862,1060 9.608,1061 5.573,1062 6.594,1063 7.824,1064 1.538,1065 11.306,1066 6.474,1067 9.355,1068 1.669,1069 11.343,1070 4.951,1071 6.976,1072 8.573,1074 13.118,1075 6.824,1076 10.752,1077 1.594,1078 13.122,1079 4.066,1080 8.498,1081 10.436,1082 1.532,1083 15.792,1084 8.342,1085 12.175,1086 1.453,1087 14.93,1088 3.671,1089 9.295,1090 11.583,1092 17.961,1093 9.116,1094 13.618,1095 1.438,1096 16.759,1097 3.391,1098 10.59,1099 13.238,1100 1.557,1101 20.476,1102 10.4,1103 3.283,1104 1.308,1105 18.605,1106 3.261,1107 11.587,1108 14.579,1110 22.797,1111 11.376,1112 3.235,1113 11.64,1114 20.463,1115 3.173,1116 12.795,1117 16.149,1118 1.603,1119 25.258,1120 12.568,1121 2.847,1122 11.364,1123 22.331,1124 4.614,1125 13.885,1126 17.584,1128 27.645,1129 13.636,1130 2.626,1131 9.413,1132 24.208,1133 4.582,1134 15.063,1135 19.121,1136 1.663,1137 30.09,1138 14.794,1139 2.61,1140 8.477,1141 26.091,1142 3.845,1143 16.197,1144 20.601,1146 32.506,1147 15.905,1148 2.357,1149 8.356,1150 27.979,1151 3.534,1152 17.367,1153 22.127,1154 1.734,1155 34.947,1156 17.053,1157 2.252,1158 7.36,1159 29.873,1160 3.49,1161 18.523,1162 23.629,1164 37.377,1165 18.184,1166 45063,1167 71104,1168 35.887,1169 58.353,1170 77.685,1171 79.974,1172 79.584,1173 77.883,1174 77.491,1175 100.274,1176 4.637,1177 223.984,1178 74.327,1179 5.652,1180 5.568,1181 6.796,1182 5.343,1183 5.283,1184 7.614,1185 2.117,1186 19.261,1187 5.201,1188 17.324,1189 1.494,1190 1.538,1191 1.53,1192 1.498,1193 1.49,1194 1.928,1195 0.089,1196 4.307,1197 1.429,1198 4.149,1199 4.173,1200 4.144,1201 4.078,1202 7.429,1203 4.083,1204 4.095,1205 4.119,1206 4.095,1207 4.028,1208 5.054,1209 4.033,1210 3.87,1211 3.891,1212 3.952,1213 3.825,1214 5.014,1215 3.816,1216 3.768,1217 3.83,1218 3.778,1219 3.663,1220 4.898,1221 3.648,1222 3.736,1223 3.78,1224 3.667,1225 3.627,1226 4.685,1227 3.616,1228 3.689,1229 3.731,1230 3.572,1231 3.572,1232 4.515,1233 3.565,1234 3.535,1235 3.61,1236 3.431,1237 3.346,1238 4.384,1239 3.347,1240 3.368,1241 3.422,1242 3.378,1243 3.213,1244 4.271,1245 3.215,1246 0.09,1247 0.069,1248 0.133,1249 0.082,1250 0.063,1251 4.69,1252 0.089,1253 3.568,1254 0.02,1255 6.908,1256 0.224,1257 4.259,1258 0.062,1259 3.283,1260 4.614,1261 1.058,1262 11.64,1263 3.201,1264 2.076,1265 2.06,1266 2.149,1267 2.162,1268 1.437,1269 2.159,1270 2.07,1271 2.047,1272 2.137,1273 2.158,1274 1.366,1275 2.155,1276 1.866,1277 1.846,1278 2.014,1279 1.954,1280 1.355,1281 1.974,1282 1.765,1283 1.711,1284 1.95,1285 1.917,1286 1.154,1287 1.938,1288 1.75,1289 1.702,1290 1.925,1291 1.863,1292 1.124,1293 1.892,1294 1.677,1295 1.637,1296 1.878,1297 1.836,1298 1.068,1299 1.851,1300 1.51,1301 1.437,1302 1.772,1303 1.733,1304 1.051,1305 1.75,1306 1.321,1307 1.275,1308 1.507,1309 1.532,1310 0.759,1311 1.528,1312 4.654,1314 5.984,1316 7.523,1318 9.168,1320 10.874,1323 12.404,1328 12.747,1329 6.859,1330 6.173,1340 54.653,1341 126.112,1342 303.898,1343 397.413,1344 471.445,1345 492.955,1346 498.955,1347 79.932,1348 9.705,1349 76.14,1350 76.14,1351 42,1352 13.228,1353 4.907,1354 4,1355 65.08,1356 331,1357 276,1358 0.093,1359 334.378,1360 579.98,1361 807.641,1362 360008,1363 2.4,1364 31.459,1365 0.684,1366 0.597,1367 32.459,1368 27.445,1369 22.547,1370 0.434,1371 0.333,1372 16.477,1373 21.475,1374 16.11,1375 13.244,1376 23.124,1377 17.29,1378 20.155,1379 0.276,1380 0.181,1381 20.971,1382 13.209,1383 17.533,1384 0.174,1385 0.095,1386 18.084,1387 9.634,1388 15.041,1389 0.108,1390 0.051,1391 15.442,1392 7.095,1393 13.357,1394 0.069,1395 0.028,1396 13.803,1397 5.452,1398 0.155,1399 144.842,1400 0.167,1401 41.319,1402 0.232,1403 250,1404 625.834,1405 294.345,1406 673.981,1407 925.74,1408 634,1409 299,1410 651.83,1411 332.99,1412 681.364,1413 1011.74,1414 648,1415 7.717}
{0 CHEMBL540833,1 1.504,2 15.618,3 4.571,4 20.893,5 128.792,6 7.642,7 0.474,8 4.206,9 4.302,10 3.8,11 3.75,12 5.31,13 3.745,14 4.754,15 4.903,16 4.165,17 4.142,18 5.87,19 4.12,20 5.008,21 5.183,22 4.243,23 4.287,24 6.062,25 4.245,26 5.062,27 5.255,28 4.141,29 4.248,30 6.162,31 4.177,32 4.992,33 5.215,34 3.976,35 4.166,36 5.964,37 4.068,38 4.916,39 5.142,40 3.87,41 4.055,42 5.86,43 3.953,44 4.831,45 5.057,46 3.784,47 3.96,48 5.752,49 3.865,50 4.743,51 4.952,52 3.724,53 3.911,54 5.699,55 3.818,56 0.048,57 0.812,58 11.608,59 5.718,60 7.432,61 6.882,62 0.421,63 1.349,64 23.125,65 9.4,66 34.71,67 11.734,68 0.409,69 1.638,70 31.861,71 12.681,72 42.399,73 15.698,74 0.764,75 1.681,76 35.473,77 13.241,78 77.382,79 16.721,80 0.481,81 1.593,82 33.535,83 12.736,84 59.44,85 16.84,86 0.517,87 1.46,88 31.528,89 11.703,90 55.709,91 15.504,92 0.502,93 1.355,94 29.066,95 10.442,96 46.58,97 13.728,98 0.439,99 1.247,100 25.847,101 9.505,102 46.491,103 12.27,104 13,105 53,106 0.241,107 0.566,108 0.77,109 0.875,110 0.903,111 0.903,112 3.56,113 0.902,114 -3.55,115 -3.53,116 -3.36,121 45,123 2,126 1,127 4,144 10,145 4,146 4,159 1,161 1,176 11,179 1,180 14,183 2,187 14,192 10,200 9,205 3,206 11,211 2,214 10,218 1,219 5,224 2,227 9,231 1,232 8,237 1,239 6,243 1,244 7,247 1,249 1,251 2,255 1,256 4,264 6,268 1,269 2,274 1,277 8,281 2048,282 23.403,283 23.403,284 23.403,285 23.403,286 23.403,287 21.02,288 30.37,289 13.827,290 23.925,291 18.731,292 18.731,293 18.731,294 18.731,295 18.731,296 14.922,297 38.605,298 6.554,299 19.517,300 4.403,301 2.384,302 1.112,303 0.458,304 0.279,305 0.279,306 4.273,311 1,312 1,313 1176,314 3.742,318 441.108,322 439.036,325 2.287,326 34.379,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 74,338 531,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 2.186,346 11.061,347 3.18,348 4.299,349 3.661,350 6.222,351 3.954,352 2.974,353 3.926,354 0.916,355 9.389,356 2.92,357 4.048,358 3.225,359 6.011,360 3.613,361 2.643,362 3.676,363 0.86,364 8.529,365 2.563,366 3.772,367 2.995,368 5.435,369 3.452,370 2.526,371 3.031,372 0.86,373 7.236,374 2.321,375 3.618,376 2.821,377 5.408,378 3.244,379 2.293,380 2.964,381 0.366,382 6.914,383 2.176,384 3.43,385 2.68,386 5.243,387 3.198,388 2.246,389 2.581,390 0.172,391 6.609,392 2.117,393 3.31,394 2.495,395 5.124,396 2.948,397 2.01,398 2.504,400 6.039,401 1.876,402 3.256,403 2.419,404 4.743,405 2.906,406 1.933,407 2.356,409 5.198,410 1.852,411 2.905,412 1.879,413 4.394,414 2.569,415 1.576,416 2.081,418 4.293,419 1.563,420 2.882,421 1.715,422 4.125,423 2.441,424 1.461,425 2.001,427 3.384,428 1.428,429 2.715,430 1.582,431 3.721,432 2.358,433 1.391,434 1.811,436 3.112,437 1.336,438 2.503,439 1.37,440 3.616,441 2.242,442 1.256,443 1.491,445 3,446 1.235,447 2.387,448 1.298,449 3.483,450 1.889,451 0.872,452 1.26,454 2.067,455 0.879,456 2.002,457 1.112,458 3.303,459 1.786,460 0.802,461 0.937,463 1.88,464 0.787,465 1.584,466 1.014,467 3.008,468 1.378,469 0.453,470 0.494,472 1.049,473 0.414,474 15.967,475 0.47,476 0.742,477 0.022,478 44.75,479 1.316,480 22.5,481 0.662,482 22.25,483 0.654,484 27.991,485 0.823,486 36.233,487 0.604,488 34.885,489 1.026,490 8.988,491 0.264,492 7.614,493 0.224,494 0.073,496 0.338,501 0.767,502 1.248,503 0.737,504 1.097,505 0.565,506 0.94,507 0.857,508 0.949,509 0.86,510 0.937,511 0.539,512 0.892,513 1.147,514 1.032,515 0.961,516 1.027,517 0.806,518 0.969,519 1.118,520 1.001,521 1.079,522 1.019,523 1.106,524 1.042,525 0.914,526 1.011,527 0.998,528 1.027,529 1.042,530 1.031,531 0.933,532 1.047,533 1.009,534 1.038,535 0.716,536 1.041,537 1.054,538 0.962,539 1.058,540 0.982,541 0.816,542 1.015,543 1.126,544 1.072,545 1.161,546 1.071,547 1.09,548 1.114,549 6.5,550 0.169,551 3.333,552 2.125,553 2.138,554 0.84,555 0.685,556 0.345,557 0.266,558 0.175,559 20516,560 55411,561 2.145,562 43.3,564 21,567 1,569 2,570 2,572 1.752,573 2.04,574 3.904,575 -0.392,582 90.21,583 1.504,584 3.523,585 4.795,586 5.448,587 5.628,588 5.628,589 3.359,590 4.617,591 5.063,592 4.084,593 2291.4,594 8.829,595 37707.3,600 354.413,601 1.286,602 5.033,603 0.171,604 0.006,605 0.063,606 0.038,607 0.045,608 0.02,609 0.019,610 0.01,611 0.009,612 0.006,613 0.387,614 0.33,615 0.88,616 0.908,617 187.32,618 -0.029,619 -0.129,620 0.064,621 -0.064,622 -0.026,623 0.004,624 0.079,625 0.145,626 0.039,627 0.047,628 0.11,629 0.044,630 -0.111,631 -0.035,632 -0.007,633 -0.031,634 0.007,635 -0.002,636 0.008,637 -0.031,638 -0.084,639 -0.037,640 0.017,641 -0.073,642 -0.034,643 -0.047,644 -0.012,645 -0.037,646 -0.06,647 -0.025,648 0.002,649 -0.094,650 -0.007,651 -0.053,652 -0.001,653 -0.037,654 -0.061,655 0.015,656 -0.048,657 -0.015,658 -0.062,659 -0.029,660 -0.116,661 -0.083,662 -0.171,663 -0.099,664 -0.142,665 -0.14,666 2.133,667 5.677,668 0.706,669 39.543,670 1.007,671 1.117,672 2.323,673 5.396,674 0.674,675 3.664,676 3.989,677 4.277,678 4.554,679 4.836,680 4.927,681 5.056,682 5.193,683 5.268,684 5.198,685 9.02,686 0.649,687 458.55,688 3.664,689 5.209,690 6.066,691 6.946,692 7.819,693 8.706,694 9.586,695 10.476,696 11.36,697 12.253,698 3.3,701 1,705 1,715 10,720 8,722 18,727 1,737 1,739 2,741 60,743 20,744 3,745 38,747 64,748 27,749 18,750 8,751 10,752 1,756 5,757 9,767 1,770 2,772 20,773 7,777 2,782 2,786 2,793 26,794 7,795 1,796 7,802 2,808 0.4,809 5,829 5,833 3,855 1,859 2,864 1,868 34,876 6,877 1,878 3,881 1,893 8.3,896 2,898 3,901 16.667,902 11.117,903 7.472,904 3.689,907 3.662,908 1.423,909 0.999,910 6.633,911 12.325,912 3.912,913 4.483,914 5.039,915 5.593,916 6.144,917 6.381,918 6.724,919 7.07,920 7.344,921 7.479,922 1,923 56,924 12.61,926 5.426,927 0.026,929 7.755,931 24.122,933 20.003,936 2.255,937 76.667,940 1,941 294.278,942 164.749,943 21.135,945 83.29,948 164.749,949 377.567,950 21.135,951 8.396,952 33.989,953 94.762,954 55.423,955 69.84,956 6.763,957 294.278,959 294.278,960 185.884,961 83.29,964 247.193,965 130.374,968 37.114,969 148.771,972 294.278,973 104.425,974 164.749,977 294.278,978 61.591,979 106.283,980 18.011,981 83.29,982 294.278,983 104.425,984 164.749,986 0.579,987 0.34,988 0.184,989 0.105,990 26,991 11,992 0.109,993 7,994 3,995 1.25,996 4.671,997 312.564,998 0.25,999 24,1000 172.974,1005 22.603,1006 9.978,1007 5.023,1009 104.425,1010 18.457,1015 5.962,1017 18.011,1018 563.452,1019 49,1024 24.15,1028 -0.497,1031 60.443,1032 67.026,1034 0.255,1035 0.596,1036 0.812,1037 0.922,1038 0.953,1039 0.953,1040 5.156,1041 1.933,1042 6.043,1043 6.039,1044 4.673,1045 5.17,1046 2.639,1047 6.847,1048 4.6,1049 6.345,1050 1.576,1051 7.593,1052 5.198,1053 4.205,1054 4.934,1055 1.847,1056 7.708,1057 4.11,1058 7.645,1059 1.461,1060 9.242,1061 4.293,1062 6.26,1063 7.311,1064 3.582,1065 10.82,1066 6.127,1067 8.977,1068 1.391,1069 10.949,1070 3.384,1071 6.608,1072 7.882,1073 3.603,1074 12.512,1075 6.471,1076 10.341,1077 1.256,1078 12.694,1079 3.112,1080 8.116,1081 9.742,1082 4.922,1083 15.146,1084 7.95,1085 11.728,1086 0.872,1087 14.467,1088 3,1089 8.864,1090 10.703,1091 5.291,1092 17.208,1093 8.702,1094 13.134,1095 0.802,1096 16.26,1097 2.067,1098 10.145,1099 12.338,1100 6.39,1101 19.677,1102 9.964,1103 3.215,1104 0.453,1105 18.069,1106 1.88,1107 11.094,1108 13.504,1109 6.93,1110 21.91,1111 10.918,1112 2.974,1113 11.061,1114 19.891,1115 1.049,1116 12.282,1117 15.029,1118 7.902,1119 24.323,1120 12.093,1121 2.643,1122 9.389,1123 21.725,1124 4.198,1125 13.332,1126 16.305,1127 8.539,1128 26.637,1129 13.143,1130 2.526,1131 8.529,1132 23.568,1133 3.926,1134 14.485,1135 17.774,1136 9.436,1137 29.032,1138 14.288,1139 2.293,1140 7.236,1141 25.419,1142 3.676,1143 15.584,1144 19.11,1145 10.13,1146 31.386,1147 15.384,1148 2.246,1149 6.914,1150 27.277,1151 3.031,1152 16.728,1153 20.551,1154 10.981,1155 33.777,1156 16.52,1157 2.01,1158 6.609,1159 29.141,1160 2.964,1161 17.851,1162 21.922,1163 11.71,1164 36.151,1165 17.638,1166 18955,1167 31317,1168 25.948,1169 40.421,1170 56.485,1171 59.16,1172 57.996,1173 56.055,1174 56.057,1175 71.43,1176 10.723,1177 160.684,1178 53.984,1179 5.5,1180 5.692,1181 6.457,1182 5.302,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.18,1188 14.321,1189 1.486,1190 1.557,1191 1.526,1192 1.475,1193 1.475,1194 1.88,1195 0.282,1196 4.229,1197 1.421,1198 4.056,1199 4.071,1200 4.018,1201 3.971,1202 7.435,1203 3.979,1204 3.995,1205 4.018,1206 3.938,1207 3.916,1208 7.427,1209 3.918,1210 3.78,1211 3.804,1212 3.715,1213 3.711,1214 4.947,1215 3.708,1216 3.653,1217 3.705,1218 3.551,1219 3.481,1220 4.803,1221 3.483,1222 3.538,1223 3.597,1224 3.434,1225 3.274,1226 4.708,1227 3.3,1228 3.377,1229 3.443,1230 3.252,1231 3.161,1232 4.386,1233 3.178,1234 3.21,1235 3.232,1236 3.122,1237 3.057,1238 4.328,1239 3.071,1240 3.102,1241 3.167,1242 2.939,1243 2.955,1244 4.16,1245 2.94,1246 0.12,1247 0.097,1248 0.178,1249 0.111,1250 0.085,1251 4.553,1252 0.11,1253 3.692,1254 0.058,1255 6.774,1256 0.291,1257 4.203,1258 0.084,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.18,1264 1.987,1265 1.979,1266 2.096,1267 2.091,1268 1.375,1269 2.093,1270 1.974,1271 1.947,1272 2.057,1273 2.079,1274 1.177,1275 2.071,1276 1.774,1277 1.751,1278 1.904,1279 1.882,1280 1.143,1281 1.889,1282 1.624,1283 1.566,1284 1.838,1285 1.81,1286 0.974,1287 1.814,1288 1.433,1289 1.378,1290 1.698,1291 1.733,1292 0.858,1293 1.724,1294 1.35,1295 1.273,1296 1.631,1297 1.576,1298 0.685,1299 1.596,1300 1.152,1301 1.127,1302 1.431,1303 1.361,1304 0.677,1305 1.382,1306 1.106,1307 1.046,1308 1.267,1309 1.294,1310 0.436,1311 1.287,1312 4.344,1314 5.666,1316 7.194,1318 8.82,1320 10.501,1322 1.542,1328 5.086,1329 2.464,1330 17.127,1333 2.376,1340 38.938,1341 90.21,1342 211.372,1343 287.684,1344 326.904,1345 337.659,1346 337.659,1347 57.933,1348 8.663,1349 81.01,1350 81.01,1351 30,1352 12.782,1353 4.392,1354 3.585,1355 50.536,1356 191,1357 174,1358 0.128,1359 234.165,1360 418.07,1361 563.123,1362 91080,1364 23.493,1365 0.691,1366 0.559,1367 23.493,1368 19.005,1369 16.602,1370 0.437,1371 0.301,1372 11.253,1373 15.905,1374 11.021,1375 9.083,1376 16.602,1377 11.427,1378 14.818,1379 0.28,1380 0.158,1381 14.818,1382 8.384,1383 12.812,1384 0.18,1385 0.086,1386 12.812,1387 6.12,1388 10.704,1389 0.114,1390 0.046,1391 10.704,1392 4.354,1393 9.068,1394 0.073,1395 0.025,1396 9.068,1397 3.172,1398 0.211,1399 104.476,1400 0.196,1401 32.29,1402 0.324,1403 182,1404 560.656,1405 202.077,1406 527.395,1407 722.64,1408 496,1409 215,1410 533.794,1411 234.445,1412 533.229,1413 786.24,1414 503,1415 7.907}
{0 CHEMBL541238,1 1.454,2 23.06,3 11.558,4 133.59,5 204.582,6 7.394,7 0.5,8 4.639,9 4.758,10 4.207,11 4.249,12 5.606,13 4.195,14 5.225,15 5.401,16 4.583,17 4.679,18 6.154,19 4.591,20 5.548,21 5.785,22 4.692,23 4.832,24 6.421,25 4.719,26 5.548,27 5.783,28 4.64,29 4.803,30 6.451,31 4.692,32 5.533,33 5.762,34 4.603,35 4.829,36 6.385,37 4.707,38 5.612,39 5.852,40 4.609,41 4.86,42 6.478,43 4.707,44 5.623,45 5.887,46 4.496,47 4.808,48 6.395,49 4.624,50 5.534,51 5.807,52 4.374,53 4.663,54 6.342,55 4.472,56 0.065,57 1.308,58 20.243,59 9.334,60 8.915,61 12.649,62 0.248,63 2.236,64 40.271,65 16.812,66 30.03,67 23.043,68 0.432,69 2.926,70 63.871,71 23.127,72 57.922,73 32.065,74 0.671,75 2.962,76 62.927,77 21.785,78 72.123,79 30.285,80 0.43,81 2.943,82 57.638,83 22.302,84 51.544,85 31.055,86 0.742,87 3.054,88 65.522,89 25.21,90 78.732,91 35.086,92 0.472,93 2.975,94 71.107,95 26.454,96 57.027,97 36.571,98 0.699,99 2.631,100 72.773,101 23.782,102 76.908,103 32.49,104 10,105 77,106 0.212,107 0.5,108 0.658,109 0.794,110 0.849,111 0.871,112 3.934,113 1.033,114 -7.02,115 -6.82,116 -6.31,121 43.8,123 14,127 3,144 10,145 6,146 4,148 4,160 1,176 23,180 12,183 1,185 5,187 29,192 12,197 6,200 22,205 1,206 13,209 1,211 8,214 26,219 4,224 3,227 30,231 2,232 6,235 2,237 4,239 36,244 3,249 3,251 26,256 7,261 4,264 22,269 6,274 4,277 19,281 6284,282 34.672,283 34.672,284 34.672,285 34.672,286 34.672,287 31.295,288 28.468,289 21.031,290 35.267,291 27.744,292 27.744,293 27.744,294 27.744,295 27.744,296 22.364,297 26.893,298 10.126,299 28.803,300 5.131,301 3.148,302 2.061,303 1.131,304 0.75,305 0.604,306 4.657,308 2,313 2585,314 4.69,318 994.285,322 945.003,325 3.338,326 37.842,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.49,337 104.667,338 1153,339 4.69,340 3.568,341 6.908,342 4.259,343 3.283,344 4.614,345 1.058,346 11.64,347 3.201,348 4.651,349 3.411,350 6.833,351 4.214,352 3.235,353 4.582,354 0.86,355 11.364,356 3.165,357 4.222,358 3.373,359 6.28,360 3.846,361 2.847,362 3.845,363 0.4,364 9.413,365 2.84,366 3.993,367 2.948,368 6.004,369 3.607,370 2.626,371 3.534,373 8.477,374 2.572,375 3.99,376 2.943,377 5.97,378 3.58,379 2.61,380 3.49,382 8.356,383 2.532,384 3.745,385 2.686,386 5.64,387 3.322,388 2.357,389 3.177,391 7.36,392 2.268,393 3.584,394 2.562,395 5.427,396 3.193,397 2.252,398 2.966,400 6.886,401 2.104,402 3.581,403 2.541,404 5.096,405 3.126,406 2.225,407 2.961,409 6.156,410 1.949,411 3.365,412 2.272,413 4.899,414 2.936,415 1.988,416 2.699,418 5.573,419 1.928,420 3.077,421 1.962,422 4.759,423 2.879,424 1.93,425 2.304,427 4.951,428 1.744,429 2.966,430 1.959,431 4.257,432 2.752,433 1.767,434 2.027,436 4.072,437 1.702,438 2.897,439 1.877,440 4.121,441 2.623,442 1.667,443 1.921,445 3.834,446 1.564,447 2.748,448 1.824,449 3.986,450 2.538,451 1.56,452 1.775,454 3.503,455 1.521,456 2.645,457 1.677,458 3.959,459 2.432,460 1.452,461 1.671,463 3.372,464 1.419,465 2.61,466 1.653,467 3.884,468 2.399,469 1.438,470 1.626,472 3.261,473 1.361,474 24.695,475 0.494,476 0.969,477 0.019,478 59.75,479 1.195,480 28.5,481 0.57,482 31.25,483 0.625,484 58.263,485 1.165,486 53.305,487 0.555,488 45.982,489 0.92,490 10.313,491 0.206,492 14.233,493 0.285,494 0.071,496 0.304,501 0.701,502 1.178,503 0.683,504 0.972,505 0.56,506 0.94,507 0.78,508 1.194,509 0.758,510 1.018,511 0.556,512 1.01,513 0.933,514 1.046,515 0.818,516 0.91,517 0.764,518 0.876,519 1.163,520 0.982,521 0.865,522 0.899,523 1.138,524 0.92,525 0.947,526 1.042,527 0.769,528 0.96,529 0.967,530 0.998,531 0.703,532 1.023,533 0.8,534 1.032,535 0.787,536 1.069,537 0.85,538 1.041,539 0.911,540 1.04,541 0.956,542 1.051,543 1.182,544 0.909,545 1.148,546 0.994,547 1.415,548 0.997,549 7,550 0.198,551 5.111,552 2.875,553 3.004,554 1.528,555 1.045,556 0.661,557 0.5,558 0.269,559 68516,560 160868,561 2.167,562 47.9,563 20,564 16,567 2,568 2,569 6,572 1.84,573 2.083,574 4.352,575 0.007,582 139.595,583 1.454,584 3.437,585 4.524,586 5.454,587 5.835,588 5.981,589 3.785,590 5.244,591 5.624,592 4.649,593 5695.25,594 9.923,595 137102,600 632.156,601 1.177,602 5.599,603 0.125,604 0.005,605 0.066,606 0.034,607 0.038,608 0.02,609 0.015,610 0.011,611 0.01,612 0.006,613 0.33,614 0.17,615 0.5,616 0.356,617 315.034,618 -0.01,619 -0.023,620 0.032,621 0.019,622 0.023,623 0.04,624 0.034,625 -0.106,626 0.02,627 -0.04,628 0.109,629 -0.032,630 0.004,631 -0.026,632 0.084,633 0.061,634 0.084,635 0.103,636 -0.036,637 0.076,638 -0.009,639 0.039,640 -0.028,641 0.029,642 -0.072,643 0.007,644 -0.022,645 -0.014,646 -0.056,647 -0.032,648 0.165,649 -0.027,650 0.003,651 -0.064,652 0.107,653 -0.084,654 -0.005,655 -0.096,656 0.01,657 -0.049,658 -0.039,659 -0.047,660 -0.045,661 0.023,662 -0.031,663 0.005,664 -0.098,665 -0.001,666 1.712,667 6.078,668 0.68,669 81.907,670 0.991,671 1.119,672 5.794,673 33.569,674 0.681,675 4.043,676 4.357,677 4.663,678 4.97,679 5.293,680 5.429,681 5.602,682 5.765,683 5.886,684 5.855,685 13.53,686 0.633,687 709.82,688 4.043,689 5.587,690 6.447,691 7.33,692 8.214,693 9.11,694 10.007,695 10.911,696 11.816,697 12.725,698 4.2,703 1,705 1,708 2,714 4,715 10,716 2,720 10,722 28,729 1,734 1,739 1,740 2,741 96,743 29,744 3,745 56,747 102,748 42,749 24,750 8,751 10,752 1,756 7,757 13,758 2,767 6,770 14,772 25,773 17,777 1,782 1,786 1,793 46,794 6,795 2,796 8,797 2,802 4,808 0.429,809 2,822 2,829 7,833 4,859 3,865 2,868 50,876 17,877 2,878 1,892 2,893 2.1,896 1,898 1,901 24,902 17.102,903 11.028,904 6.758,907 5.284,908 1.541,909 1.014,910 11.747,911 15.047,912 4.277,913 4.887,914 5.526,915 6.168,916 6.831,917 7.249,918 7.705,919 8.151,920 8.561,921 8.714,922 0.933,923 84,924 18.615,926 7.983,927 0.026,929 7.504,931 36.889,933 31.512,936 2.004,937 100.222,941 517.928,942 186.446,943 69.593,944 78.297,945 36.145,948 186.446,949 632.371,950 69.593,952 62.298,953 94.762,954 81.431,955 53.691,957 517.928,958 78.297,959 517.928,960 256.038,961 36.145,962 78.297,964 447.302,965 106.771,968 72.1,969 132.357,970 129.879,972 517.928,973 105.737,974 264.743,977 517.928,978 91.683,979 94.762,980 36.022,981 148.013,982 517.928,983 105.737,984 264.743,986 0.572,987 0.334,988 0.188,989 0.112,990 36,991 15,992 0.137,993 14,994 4,995 1.235,996 6.083,997 521.718,998 0.235,999 34,1000 278.193,1005 35.045,1006 16.76,1007 8.411,1008 3.925,1009 105.737,1010 19.605,1011 9.941,1015 9.928,1017 36.022,1018 888.409,1019 71,1024 13.078,1028 -0.045,1031 95.148,1032 107.434,1034 0.221,1035 0.522,1036 0.687,1037 0.828,1038 0.886,1039 0.908,1040 5.517,1041 2.225,1042 6.412,1043 6.886,1044 5.043,1045 5.576,1046 1.617,1047 7.229,1048 4.975,1049 6.71,1050 1.988,1051 7.965,1052 6.156,1053 4.511,1054 5.434,1056 8.148,1057 4.383,1058 8.02,1059 1.93,1060 9.626,1061 5.573,1062 6.627,1063 7.834,1064 1.538,1065 11.311,1066 6.51,1067 9.372,1068 1.767,1069 11.355,1070 4.951,1071 6.976,1072 8.573,1074 13.118,1075 6.824,1076 10.764,1077 1.667,1078 13.129,1079 4.072,1080 8.514,1081 10.438,1082 1.532,1083 15.793,1084 8.361,1085 12.183,1086 1.56,1087 14.934,1088 3.834,1089 9.295,1090 11.583,1092 17.961,1093 9.116,1094 13.623,1095 1.452,1096 16.762,1097 3.503,1098 10.597,1099 13.238,1100 1.557,1101 20.476,1102 10.409,1103 3.283,1104 1.438,1105 18.607,1106 3.372,1107 11.587,1108 14.579,1110 22.797,1111 11.376,1112 3.235,1113 11.64,1114 20.464,1115 3.261,1116 12.797,1117 16.149,1118 1.603,1119 25.258,1120 12.571,1121 2.847,1122 11.364,1123 22.332,1124 4.614,1125 13.885,1126 17.584,1128 27.645,1129 13.636,1130 2.626,1131 9.413,1132 24.208,1133 4.582,1134 15.064,1135 19.121,1136 1.663,1137 30.09,1138 14.796,1139 2.61,1140 8.477,1141 26.091,1142 3.845,1143 16.197,1144 20.601,1146 32.506,1147 15.905,1148 2.357,1149 8.356,1150 27.98,1151 3.534,1152 17.368,1153 22.127,1154 1.734,1155 34.947,1156 17.054,1157 2.252,1158 7.36,1159 29.873,1160 3.49,1161 18.523,1162 23.629,1164 37.377,1165 18.184,1166 61867,1167 95220,1168 38.66,1169 65.398,1170 82.697,1171 85.028,1172 84.669,1173 82.997,1174 82.582,1175 105.364,1176 4.637,1177 234.163,1178 79.418,1179 5.666,1180 5.568,1181 6.853,1182 5.343,1183 5.283,1184 7.614,1185 2.117,1186 19.261,1187 5.201,1188 18.552,1189 1.477,1190 1.518,1191 1.512,1192 1.482,1193 1.475,1194 1.881,1195 0.083,1196 4.181,1197 1.418,1198 4.151,1199 4.175,1200 4.145,1201 4.079,1202 7.429,1203 4.084,1204 4.095,1205 4.119,1206 4.096,1207 4.028,1208 5.055,1209 4.033,1210 3.87,1211 3.892,1212 3.952,1213 3.825,1214 5.014,1215 3.816,1216 3.81,1217 3.873,1218 3.778,1219 3.69,1220 4.898,1221 3.672,1222 3.736,1223 3.78,1224 3.674,1225 3.659,1226 4.685,1227 3.643,1228 3.712,1229 3.763,1230 3.621,1231 3.584,1232 4.515,1233 3.583,1234 3.651,1235 3.711,1236 3.5,1237 3.517,1238 4.384,1239 3.501,1240 3.506,1241 3.58,1242 3.411,1243 3.325,1244 4.275,1245 3.322,1246 0.084,1247 0.064,1248 0.123,1249 0.076,1250 0.059,1251 4.69,1252 0.082,1253 3.568,1254 0.019,1255 6.908,1256 0.208,1257 4.259,1258 0.057,1259 3.283,1260 4.614,1261 1.058,1262 11.64,1263 3.201,1264 2.076,1265 2.06,1266 2.149,1267 2.162,1268 1.44,1269 2.159,1270 2.07,1271 2.047,1272 2.137,1273 2.158,1274 1.422,1275 2.155,1276 1.866,1277 1.846,1278 2.061,1279 1.976,1280 1.356,1281 2.007,1282 1.814,1283 1.753,1284 1.958,1285 1.932,1286 1.286,1287 1.947,1288 1.75,1289 1.709,1290 1.94,1291 1.876,1292 1.15,1293 1.901,1294 1.698,1295 1.651,1296 1.921,1297 1.862,1298 1.123,1299 1.889,1300 1.662,1301 1.604,1302 1.876,1303 1.822,1304 1.069,1305 1.843,1306 1.49,1307 1.417,1308 1.762,1309 1.707,1310 1.056,1311 1.728,1312 4.727,1314 6.043,1316 7.566,1318 9.197,1320 10.893,1323 12.416,1328 18.288,1329 6.91,1330 6.177,1340 60.76,1341 139.595,1342 329.935,1343 434.3,1344 523.627,1345 560.156,1346 574.156,1347 91.916,1348 9.763,1349 76.14,1350 76.14,1351 42,1352 13.242,1353 4.907,1354 4,1355 74.044,1356 427,1357 326,1358 0.081,1359 372.747,1360 649.18,1361 901.262,1362 426802,1363 2.1,1364 34.288,1365 0.686,1366 0.605,1367 35.288,1368 30.273,1369 24.547,1370 0.438,1371 0.344,1372 18.477,1373 23.475,1374 18.071,1375 14.911,1376 25.124,1377 19.29,1378 21.569,1379 0.28,1380 0.19,1381 22.386,1382 14.624,1383 18.533,1384 0.177,1385 0.101,1386 19.084,1387 10.634,1388 15.748,1389 0.11,1390 0.055,1391 16.149,1392 7.802,1393 13.857,1394 0.07,1395 0.03,1396 14.303,1397 5.952,1398 0.138,1399 156.842,1400 0.161,1401 44.794,1402 0.196,1403 266,1404 641.834,1405 310.345,1406 690.628,1407 948.78,1408 650,1409 315,1410 667.83,1411 348.99,1412 698.01,1413 1034.78,1414 664,1415 7.301}
{0 CHEMBL54126,1 1.48,2 6.563,3 0.511,4 0.262,5 62.167,6 6.381,7 0.375,8 3.611,9 3.752,10 3.033,11 2.994,12 4.668,13 2.968,14 4.16,15 4.401,16 3.372,17 3.358,18 5.185,19 3.321,20 4.324,21 4.5,22 3.375,23 3.585,24 5.385,25 3.483,26 4.607,27 4.896,28 3.195,29 3.529,30 5.532,31 3.375,32 4.239,33 4.494,34 3.104,35 3.325,36 5.201,37 3.207,38 4.131,39 4.357,40 2.841,41 3.181,42 5.102,43 3.041,44 4.015,45 4.311,46 2.716,47 2.981,48 4.942,49 2.824,50 3.861,51 4.126,52 2.322,53 2.775,54 4.92,55 2.654,56 0.012,57 0.474,58 8.511,59 2.83,60 6.074,61 4.367,62 0.402,63 0.695,64 15.458,65 4.142,66 24.596,67 6.649,68 0.08,69 0.828,70 17.473,71 6.502,72 19.387,73 9.301,74 0.425,75 0.823,76 23.752,77 6.946,78 54.195,79 10.562,80 0.151,81 0.66,82 16.123,83 5.167,84 24.661,85 7.817,86 0.305,87 0.569,88 14.867,89 4.568,90 27.093,91 6.671,92 0.101,93 0.497,94 12.717,95 3.728,96 20.92,97 6.069,98 0.315,99 0.41,100 11.679,101 2.316,102 36.72,103 3.992,104 43,105 23,106 0.28,107 0.531,108 0.653,109 0.696,110 0.696,111 0.696,112 2.852,113 0.994,114 0.6,115 0.42,116 0.17,121 34.3,126 5,144 4,146 2,161 1,176 2,179 3,180 2,187 3,189 2,192 1,200 1,203 1,206 5,208 1,216 1,219 2,232 2,234 2,281 258,282 9.679,283 9.679,284 9.679,285 9.679,286 9.679,287 8.864,288 14.195,289 5.556,290 10.026,291 7.865,292 7.865,293 7.865,294 7.865,295 7.865,296 6.552,297 19.671,298 2.621,299 8.416,300 3.649,301 2.325,302 1.68,303 1.451,304 1.451,305 1.451,306 3.461,311 1,312 1,313 200,314 3.742,318 56.975,325 1.117,326 12.509,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 35,338 105,339 4.454,340 3.765,341 7.116,342 4.24,343 3.32,344 3.87,345 2.208,346 11.69,347 3.058,348 3.957,349 3.652,350 5.817,351 3.649,352 2.725,353 3.195,354 1.2,355 7.917,356 2.498,357 3.635,358 2.675,359 5.29,360 3.281,361 2.327,362 2.87,363 0.655,364 6.587,365 2.21,366 2.907,367 1.987,368 4.502,369 2.525,370 1.573,371 2.033,372 0.13,373 4.426,374 1.49,375 2.571,376 1.739,377 3.554,378 2.112,379 1.126,380 1.601,382 2.597,383 1.109,384 2.303,385 1.156,386 3.428,387 1.967,388 1,389 1.191,391 2.272,392 0.948,393 1.179,394 0.669,395 2.735,396 0.741,397 -0.225,398 -0.293,400 -0.561,401 -0.212,402 0.67,403 -0.348,404 2.412,405 0.237,406 -0.741,407 -0.975,409 -1.965,410 -0.721,411 0.484,412 -0.6,413 2,414 -0.001,415 -1,416 -1,418 -2,419 -0.9,421 -0.6,422 2,423 -0.1,424 -1,425 -1,427 -2.638,428 -0.9,430 -0.6,431 1.73,432 -0.1,433 -1,434 -1,435 -0.4,436 -3,437 -0.9,439 -0.645,440 1.58,441 -0.1,442 -1,443 -1.412,444 -0.4,445 -3,446 -0.985,447 -0.227,448 -1.019,449 1.346,450 -0.492,451 -1.458,452 -1.813,453 -0.4,454 -4.16,455 -1.423,456 -0.5,457 -1.316,458 1.033,459 -0.81,460 -1.727,461 -1.991,462 -0.4,463 -5.378,464 -1.546,465 -0.605,466 -1.595,467 1,468 -1,469 -1.92,470 -2.276,471 -0.889,472 -5.805,473 -1.726,474 7.467,475 0.467,476 0.696,477 0.044,478 18.5,479 1.156,480 8,481 0.5,482 10.5,483 0.656,484 11.31,485 0.707,486 19.233,487 0.55,488 13.773,489 0.861,490 4.065,491 0.254,492 3.239,493 0.202,494 0.379,495 0.054,496 0.254,501 0.833,502 1.986,503 0.938,504 1.549,505 0.654,506 1.293,507 0.899,508 0.531,509 0.805,510 0.475,511 0.401,512 0.561,513 0.962,514 1.584,515 1.233,516 1.652,517 0.78,518 1.514,519 1.294,520 0.763,521 0.938,522 0.768,523 1.422,524 0.809,525 0.97,526 1.111,527 0.934,528 1.101,529 0.956,530 1.024,531 1.542,532 1.046,533 1.371,534 1.154,535 1.221,536 1.25,537 0.667,538 1.25,539 0.801,540 1.108,541 0.936,542 0.993,543 2.439,544 0.46,545 1.736,546 0.54,547 3.209,548 0.924,549 5.5,551 2.222,552 1.125,553 0.88,554 0.528,555 0.367,556 0.243,559 1594,560 3784,561 1.782,562 54.3,564 19,572 1.552,573 1.587,574 2.775,575 -0.734,577 1,579 1,582 51.795,583 1.48,584 2.805,585 3.449,586 3.678,587 3.678,588 3.678,589 2.18,590 3.203,591 3.974,592 2.902,593 348.277,594 6.694,595 3059.35,597 1,600 179.525,601 1.805,602 3.843,603 0.344,605 0.097,606 0.054,607 0.052,608 0.033,609 0.033,610 0.024,613 0.636,614 0.83,615 1,616 1.656,617 64.434,618 0.013,619 -0.623,620 0.064,621 -0.328,622 -0.08,623 -0.156,624 0.228,625 0.643,626 0.241,627 0.471,628 0.269,629 0.392,630 -0.067,631 -0.394,632 -0.266,633 -0.459,634 -0.012,635 -0.402,636 -0.078,637 0.071,638 0.053,639 0.145,640 -0.118,641 0.117,642 -0.034,643 -0.117,644 0.032,645 -0.085,646 0.017,647 -0.022,648 -0.151,649 -0.055,650 -0.344,651 -0.155,652 -0.213,653 -0.28,654 0.071,655 -0.337,656 0.131,657 -0.167,658 0.133,659 -0.03,660 -0.676,661 0.55,662 -0.62,663 0.218,664 -0.574,665 -0.125,666 2.029,667 4.372,668 0.375,669 9.641,670 0.996,671 1.141,672 -1.833,673 3.36,674 0.611,675 2.833,676 3.178,677 3.219,678 3.258,679 3.434,680 3.296,681 3.367,682 2.996,683 2.565,684 1.946,685 4.32,686 0.57,687 223.33,688 2.833,689 4.369,690 5.153,691 6.019,692 6.834,693 7.695,694 8.523,695 9.381,696 10.216,697 11.071,698 5.7,705 1,712 1,715 4,720 2,722 6,737 1,741 35,743 7,744 1,745 16,747 35,748 12,749 6,750 2,751 4,756 1,757 1,772 7,773 5,777 1,782 1,786 1,790 1,793 19,794 3,796 4,802 2,803 1,807 1,808 1,809 2,829 1,859 1,864 5,868 16,878 1,881 1,883 1,893 5.7,896 1,898 1,901 10.083,902 7.867,903 3.444,904 1.943,907 1.28,908 1.236,909 0.863,910 3.809,911 6.7,912 3.045,913 3.57,914 3.937,915 4.332,916 4.807,917 4.785,918 5.015,919 4.707,920 4.467,921 3.446,922 1,923 21,924 5.879,926 2.27,927 0.026,929 7.813,931 11.124,933 8.224,936 2.313,937 37,938 0.002,941 223.651,942 94.65,943 3.124,945 36.145,948 94.65,949 259.796,950 3.124,951 41.982,952 3.124,953 37.905,954 25.145,955 19,956 6.763,957 223.651,959 223.651,960 97.774,961 36.145,964 223.651,965 36.145,968 3.124,969 94.65,972 223.651,973 39.269,974 94.65,977 223.651,978 14.763,979 83.011,981 36.145,982 223.651,983 39.269,984 94.65,986 0.603,987 0.311,988 0.123,989 0.072,990 10,991 6,992 0.086,993 3,995 1,996 2.641,997 97.892,999 6,1000 57.245,1005 12.847,1006 4.744,1007 3.707,1009 39.269,1010 7.548,1015 1.66,1018 357.57,1019 20,1024 11.372,1028 -0.362,1031 34.869,1032 39.945,1034 0.289,1035 0.547,1036 0.673,1037 0.717,1038 0.717,1039 0.717,1040 4.297,1041 -0.741,1042 5.242,1043 -0.561,1044 3.85,1045 4.248,1046 2.493,1047 6.08,1048 3.718,1049 5.538,1050 -1,1051 6.853,1052 -1.965,1053 3.892,1054 4.248,1055 2.064,1056 7.405,1057 3.644,1058 6.867,1059 -1,1060 8.584,1061 -2,1062 5.572,1063 6.337,1064 3.589,1065 10.303,1066 5.28,1067 8.228,1068 -1,1069 10.382,1070 -2.638,1071 6.312,1072 6.984,1073 3.717,1074 12.364,1075 5.895,1076 9.616,1077 -1,1078 12.222,1079 -3,1080 7.641,1081 8.708,1082 4.976,1083 14.938,1084 7.175,1085 11.022,1086 -1.458,1087 14.091,1088 -3,1089 8.643,1090 9.646,1091 5.387,1092 17.255,1093 8.063,1094 12.442,1095 -1.727,1096 15.981,1097 -4.16,1098 9.865,1099 11.208,1100 6.464,1101 19.744,1102 9.225,1103 3.32,1104 -1.92,1105 17.886,1106 -5.378,1107 10.974,1108 12.306,1109 7.033,1110 22.152,1111 10.231,1112 2.725,1113 11.69,1114 19.803,1115 -5.805,1116 12.165,1117 13.782,1118 7.996,1119 24.618,1120 11.353,1121 2.327,1122 7.917,1123 21.73,1124 3.87,1125 13.319,1126 14.976,1127 8.656,1128 27.057,1129 12.413,1130 1.573,1131 6.587,1132 23.664,1133 3.195,1134 14.505,1135 16.402,1136 9.55,1137 29.517,1138 13.523,1139 1.126,1140 4.426,1141 25.603,1142 2.87,1143 15.68,1144 17.655,1145 10.263,1146 31.969,1147 14.61,1148 1,1149 2.597,1150 27.547,1151 2.033,1152 16.868,1153 19.051,1154 11.116,1155 34.428,1156 15.719,1157 -0.225,1158 2.272,1159 29.495,1160 1.601,1161 18.054,1162 20.342,1163 11.862,1164 36.884,1165 16.819,1166 1802,1167 2878,1168 9.246,1169 21.392,1170 24.655,1171 25.232,1172 24.917,1173 24.221,1174 24.142,1175 29.52,1176 8.386,1177 70.976,1178 22.625,1179 5.281,1180 5.765,1181 6.662,1182 5.288,1183 5.32,1184 6.87,1185 3.912,1186 18.67,1187 5.058,1188 11.146,1189 1.541,1190 1.577,1191 1.557,1192 1.514,1193 1.509,1194 1.845,1195 0.524,1196 4.436,1197 1.414,1198 3.984,1199 4.029,1200 3.92,1201 3.866,1202 7.433,1203 3.873,1204 3.658,1205 3.721,1206 3.565,1207 3.395,1208 4.827,1209 3.417,1210 3.556,1211 3.632,1212 3.417,1213 3.319,1214 4.373,1215 3.339,1216 3.045,1217 3.063,1218 2.909,1219 2.788,1220 4.227,1221 2.808,1222 2.874,1223 3.009,1224 2.617,1225 2.618,1226 4.028,1227 2.607,1228 2.874,1229 3.009,1230 2.531,1231 2.618,1232 3.503,1233 2.57,1234 2.874,1235 3.009,1236 2.499,1237 2.618,1238 3.467,1239 2.57,1240 2.767,1241 2.828,1242 2.499,1243 2.618,1244 3.467,1245 2.57,1246 0.278,1247 0.235,1248 0.445,1249 0.265,1250 0.207,1251 4.454,1252 0.242,1253 3.765,1254 0.138,1255 7.116,1256 0.731,1257 4.24,1258 0.191,1259 3.32,1260 3.87,1261 2.208,1262 11.69,1263 3.058,1264 1.93,1265 1.895,1266 2.061,1267 2.089,1268 1.229,1269 2.084,1270 1.577,1271 1.502,1272 1.82,1273 1.852,1274 0.903,1275 1.837,1276 1.501,1277 1.42,1278 1.774,1279 1.748,1280 0.831,1281 1.764,1282 0.934,1283 0.902,1284 1.417,1285 1.239,1286 0.469,1287 1.308,1288 0.934,1289 0.804,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.934,1295 0.804,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.928,1301 0.804,1302 1.14,1303 1.239,1304 0.179,1305 1.189,1306 0.768,1307 0.711,1308 1.03,1309 0.97,1310 0.107,1311 0.999,1312 3.497,1314 4.828,1316 6.33,1318 7.901,1320 9.51,1322 9.505,1330 5.189,1333 1.401,1335 0.688,1340 19.95,1341 51.795,1342 98.167,1343 120.731,1344 128.731,1345 128.731,1346 128.731,1347 28.048,1348 5.421,1349 29.54,1350 29.54,1351 6,1352 11.629,1353 3,1354 2.322,1355 34.493,1356 41,1357 34,1358 0.437,1359 129.82,1360 223.24,1361 308.522,1362 1056,1364 12.345,1365 0.772,1366 0.661,1367 12.345,1368 10.573,1369 7.304,1370 0.456,1371 0.331,1372 5.164,1373 6.863,1374 4.822,1375 4.2,1376 7.304,1377 5.302,1378 7.553,1379 0.328,1380 0.219,1381 7.553,1382 5.04,1383 4.851,1384 0.202,1385 0.095,1386 4.851,1387 2.27,1388 3.09,1389 0.124,1390 0.049,1391 3.09,1392 1.218,1393 2.513,1394 0.084,1395 0.027,1396 2.513,1397 0.823,1398 0.659,1399 46.853,1400 0.329,1401 16.05,1402 1.258,1403 78,1404 231.449,1405 88.611,1406 219.528,1407 290.34,1408 202,1409 86,1410 210.994,1411 97.309,1412 216.436,1413 305.7,1414 196,1415 7.367}
{0 CHEMBL541344,1 1.249,2 6.842,3 3.38,4 11.424,5 79.033,6 6.767,7 0.5,8 3.707,9 3.835,10 3.221,11 3.348,12 4.679,13 3.292,14 4.28,15 4.452,16 3.633,17 3.814,18 5.148,19 3.731,20 4.609,21 4.817,22 3.744,23 4.005,24 5.459,25 3.891,26 4.704,27 4.964,28 3.636,29 3.944,30 5.536,31 3.803,32 4.591,33 4.854,34 3.343,35 3.796,36 5.424,37 3.63,38 4.471,39 4.78,40 3.055,41 3.591,42 5.152,43 3.38,44 4.112,45 4.4,46 2.602,47 3.259,48 4.864,49 3.038,50 3.791,51 4.134,52 1.935,53 2.784,54 4.344,55 2.49,56 0.044,57 0.521,58 8.337,59 3.58,60 7.292,61 5.03,62 0.067,63 0.897,64 15.24,65 6.675,66 9.434,67 9.423,68 0.12,69 1.235,70 21.831,71 8.933,72 17.518,73 12.815,74 0.191,75 1.336,76 24.926,77 9.509,78 25.81,79 13.877,80 0.191,81 1.197,82 22.43,83 7.999,84 26.87,85 11.802,86 0.111,87 0.972,88 20.048,89 8.264,90 19.593,91 11.989,92 0.098,93 0.697,94 13.882,95 5.435,96 16.831,97 7.913,98 0.05,99 0.459,100 10.211,101 4.375,102 9.504,103 6.334,104 5,105 33,106 0.225,107 0.63,108 0.8,109 0.868,110 0.878,111 0.878,112 3.014,113 0.963,114 -4.37,115 -4.3,116 -4.06,121 45.9,122 1,123 3,124 2,137 1,138 1,144 4,145 2,146 1,148 2,165 1,166 1,167 1,176 13,180 4,185 2,187 18,189 2,192 4,197 2,200 13,203 2,206 4,208 1,209 1,211 5,214 12,216 5,219 1,224 3,227 10,229 3,232 1,237 2,239 12,241 2,251 8,264 4,277 1,281 324,282 12.964,283 12.964,284 12.964,285 12.964,286 12.964,287 11.364,288 11.879,289 7.451,290 13.029,291 10.9,292 10.9,293 10.9,294 10.9,295 10.9,296 8.484,297 11.145,298 3.582,299 11.023,300 3.961,301 1.721,302 0.777,303 0.399,304 0.345,305 0.345,306 3.714,310 1,311 1,312 1,313 294,314 2,318 112.36,320 37.088,322 92.061,324 54.879,325 1.025,326 10.521,328 1,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 39,338 130,339 4.664,340 3.488,341 6.938,342 4.283,343 3.297,344 4.567,345 0.68,346 11.678,347 3.252,348 4.108,349 2.982,350 6.215,351 3.8,352 2.806,353 3.553,355 9.208,356 2.788,357 3.755,358 2.61,359 5.517,360 3.352,361 2.357,362 3.072,364 7.303,365 2.344,366 3.496,367 2.488,368 5.356,369 3.175,370 2.197,371 2.858,373 6.733,374 2.15,375 3.012,376 2.068,377 4.975,378 2.833,379 1.854,380 2.177,382 5.516,383 1.81,384 3.001,385 1.881,386 4.667,387 2.709,388 1.716,389 2.042,391 4.896,392 1.703,393 2.823,394 1.421,395 3.911,396 2.393,397 1.4,398 1.882,400 3.075,401 1.389,402 2.406,403 1.079,404 3.647,405 1.99,406 1.002,407 1.371,409 2.603,410 0.989,411 1.369,412 0.48,413 3.233,414 1.129,415 0.14,416 0.158,418 0.409,419 0.138,420 1.333,421 0.124,422 2.95,423 0.95,429 0.859,430 0.009,431 2.588,432 0.624,433 -0.371,434 -0.386,436 -0.967,437 -0.369,438 0.642,439 -0.465,440 2.427,441 0.438,442 -0.548,443 -0.701,445 -1.447,446 -0.539,447 0.563,448 -0.6,449 2.191,450 0.127,451 -0.857,452 -1.003,454 -2.076,455 -0.842,456 0.329,457 -0.803,458 2,459 0.081,460 -0.914,461 -1.194,463 -2.707,464 -0.91,465 0.094,466 -0.995,467 1.873,468 -0.177,469 -1.166,470 -1.481,472 -3.264,473 -1.154,474 9.3,475 0.489,476 0.538,477 0.028,478 23.25,479 1.224,480 11.5,481 0.605,482 11.75,483 0.618,484 16.436,485 0.865,486 19.5,487 0.527,488 13.245,489 0.697,490 4.026,491 0.212,492 5.194,493 0.273,494 0.097,496 0.43,501 1.04,502 0.977,503 0.88,504 0.895,505 1.162,506 0.88,507 0.669,508 1.079,509 0.847,510 0.991,511 0.583,512 0.942,513 0.991,514 1.21,515 1.032,516 1.124,517 0.897,518 1.088,519 1.121,520 1.084,521 0.984,522 1.005,523 1.004,524 0.989,525 1.882,526 1.01,527 1.295,528 1.047,529 1.826,530 1.117,531 0.608,532 0.865,533 0.849,534 0.903,535 0.694,536 0.894,537 1.289,538 0.925,539 1.236,540 1.079,541 1.403,542 1.14,543 0.278,544 0.786,545 0.833,546 0.918,547 0.416,548 0.913,549 4,551 1.778,552 2,553 1.431,554 0.681,555 0.242,556 0.142,557 0.037,558 0.016,559 3088,560 5756,561 2.205,562 48.6,563 9,564 5,567 2,568 2,572 1.609,573 2.073,574 2.788,575 0.238,577 1,579 1,582 46.204,583 1.249,584 3.489,585 4.432,586 4.811,587 4.865,588 4.865,589 2.249,590 3.932,591 4.225,592 2.833,593 484.381,594 7.223,595 4463.99,596 1,597 1,599 1,600 192.75,601 1.378,602 4.186,603 0.182,605 0.054,606 0.057,607 0.048,608 0.032,609 0.015,610 0.016,611 0.009,612 0.016,613 0.429,614 0.83,615 1,616 0.565,617 79.029,618 -0.076,619 0.125,620 0.055,621 0.114,622 -0.115,623 0.097,624 0.088,625 -0.053,626 0.089,627 0.023,628 0.107,629 0.05,630 -0.002,631 -0.192,632 -0.075,633 -0.144,634 -0.024,635 -0.12,636 0.101,637 -0.083,638 0.005,639 -0.055,640 0.136,641 -0.036,642 -0.385,643 0.031,644 -0.296,645 -0.125,646 -0.351,647 -0.19,648 0.099,649 0.021,650 0.128,651 0.083,652 0.128,653 0.103,654 -0.282,655 0.024,656 -0.258,657 -0.121,658 -0.302,659 -0.176,660 0.147,661 0.024,662 0.138,663 0.083,664 0.109,665 0.105,666 0.754,667 2.461,668 0.895,669 9.745,670 0.98,671 1.117,672 3.138,673 9.849,674 0.678,675 3.135,676 3.526,677 3.871,678 4.248,679 4.554,680 4.727,681 4.883,682 5.056,683 5.094,684 5.106,685 4.067,686 0.629,687 250.37,688 3.135,689 4.71,690 5.602,691 6.526,692 7.434,693 8.365,694 9.278,695 10.212,696 11.128,697 12.062,698 5.4,702 1,708 1,714 2,715 4,716 1,720 3,722 11,733 1,741 37,743 12,744 1,745 22,747 40,748 17,749 9,750 2,751 4,756 4,757 10,763 1,767 3,768 2,770 3,772 11,773 6,774 2,777 1,784 1,786 1,790 1,793 18,794 2,795 2,796 2,802 2,808 0.25,822 1,829 4,831 1,833 2,835 1,849 1,850 1,859 1,864 1,868 19,869 1,876 3,880 2,901 9.167,902 6.867,903 3.972,904 2.378,907 2.752,908 1.375,909 1.049,910 2.305,911 10.096,912 3.384,913 4.052,914 4.687,915 5.335,916 5.948,917 6.343,918 6.777,919 7.207,920 7.583,921 7.692,922 0.8,923 35,924 7.059,926 3.128,927 0.026,929 7.404,931 14.149,933 12.749,936 1.904,937 36.167,938 0.003,941 188.338,942 80.412,943 49.683,948 80.412,949 188.338,950 49.683,951 8.825,952 7.604,953 80.278,954 16.786,955 16.602,957 188.338,959 188.338,960 130.095,964 188.338,968 21.33,969 82.503,970 26.262,972 188.338,973 49.683,974 80.412,977 188.338,978 24.205,979 56.206,981 49.683,982 188.338,983 49.683,984 80.412,986 0.597,987 0.358,988 0.214,989 0.121,990 20,991 8,994 4,995 1.412,996 3.087,997 158.559,998 0.471,999 16,1000 80.711,1005 11.188,1006 3.914,1007 1.634,1008 2.159,1009 49.683,1010 8.242,1011 4.875,1015 3.544,1017 32.897,1018 318.432,1019 28.5,1026 2.437,1028 1.513,1031 36.272,1032 41.318,1034 0.24,1035 0.67,1036 0.851,1037 0.923,1038 0.934,1039 0.934,1040 4.661,1041 1.002,1042 5.617,1043 3.075,1044 4.205,1045 4.736,1046 0.655,1047 6.5,1048 4.181,1049 5.892,1050 0.14,1051 7.213,1052 2.603,1053 3.892,1054 4.663,1056 7.486,1057 3.854,1058 7.227,1060 8.907,1061 0.409,1062 5.861,1063 7.007,1064 0.356,1065 10.657,1066 5.814,1067 8.595,1068 -0.371,1069 10.659,1071 6.33,1072 7.756,1074 12.469,1075 6.268,1076 9.995,1077 -0.548,1078 12.449,1079 -0.967,1080 7.808,1081 9.608,1082 0.18,1083 15.171,1084 7.738,1085 11.419,1086 -0.857,1087 14.265,1088 -1.447,1089 8.658,1090 10.76,1092 17.347,1093 8.571,1094 12.862,1095 -0.914,1096 16.102,1097 -2.076,1098 9.942,1099 12.41,1100 0.087,1101 19.884,1102 9.845,1103 3.297,1104 -1.166,1105 17.954,1106 -2.707,1107 10.973,1108 13.758,1110 22.219,1111 10.86,1112 2.806,1113 11.678,1114 19.821,1115 -3.264,1116 12.184,1117 15.325,1118 0.041,1119 24.698,1120 12.059,1121 2.357,1122 9.208,1123 21.697,1124 4.567,1125 13.298,1126 16.765,1128 27.1,1129 13.157,1130 2.197,1131 7.303,1132 23.583,1133 3.553,1134 14.485,1135 18.3,1136 0.019,1137 29.561,1138 14.33,1139 1.854,1140 6.733,1141 25.477,1142 3.072,1143 15.637,1144 19.781,1146 31.992,1147 15.467,1148 1.716,1149 5.516,1150 27.376,1151 2.858,1152 16.818,1153 21.304,1154 0.009,1155 34.448,1156 16.634,1157 1.4,1158 4.896,1159 29.281,1160 2.177,1161 17.988,1162 22.805,1164 36.892,1165 17.788,1166 2903,1167 4036,1168 15.027,1169 25.103,1170 34.022,1171 33.887,1172 34.916,1173 33.574,1174 33.539,1175 43.357,1176 1.36,1177 102.841,1178 33.126,1179 5.617,1180 5.488,1181 6.619,1182 5.325,1183 5.297,1184 7.567,1185 1.36,1186 19.247,1187 5.252,1188 7.007,1189 1.546,1190 1.54,1191 1.587,1192 1.526,1193 1.525,1194 1.971,1195 0.062,1196 4.675,1197 1.506,1198 4.133,1199 4.163,1200 4.09,1201 4.066,1202 5.145,1203 4.068,1204 3.87,1205 3.907,1206 3.783,1207 3.806,1208 4.783,1209 3.796,1210 3.466,1211 3.518,1212 3.368,1213 3.375,1214 4.505,1215 3.367,1216 3.27,1217 3.345,1218 3.129,1219 3.131,1220 4.279,1221 3.119,1222 3.136,1223 3.217,1224 2.97,1225 2.981,1226 3.829,1227 2.967,1228 2.988,1229 3.074,1230 2.838,1231 2.828,1232 3.674,1233 2.823,1234 2.743,1235 2.845,1236 2.554,1237 2.589,1238 3.526,1239 2.572,1240 2.662,1241 2.784,1242 2.473,1243 2.434,1244 3.318,1245 2.409,1246 0.212,1247 0.159,1248 0.315,1249 0.195,1250 0.15,1251 4.664,1252 0.208,1253 3.488,1254 0.031,1255 6.938,1256 0.531,1257 4.283,1258 0.148,1259 3.297,1260 4.567,1261 0.68,1262 11.678,1263 3.252,1264 2.096,1265 2.071,1266 2.191,1267 2.182,1268 1.532,1269 2.186,1270 1.883,1271 1.85,1272 2.02,1273 1.975,1274 1.171,1275 1.994,1276 1.474,1277 1.428,1278 1.701,1279 1.617,1280 0.918,1281 1.647,1282 1.272,1283 1.21,1284 1.506,1285 1.473,1286 0.773,1287 1.489,1288 1.152,1289 1.076,1290 1.454,1291 1.361,1292 0.596,1293 1.401,1294 0.969,1295 0.903,1296 1.227,1297 1.209,1298 0.384,1299 1.22,1300 0.754,1301 0.676,1302 1.157,1303 1.009,1304 0.241,1305 1.063,1306 0.713,1307 0.598,1308 1.089,1309 0.995,1310 0.172,1311 1.041,1312 3.807,1314 5.176,1316 6.765,1318 8.463,1320 10.218,1322 2.245,1326 6.461,1328 3.445,1332 1.246,1340 23.257,1341 46.204,1342 129.086,1343 163.995,1344 177.995,1345 179.995,1346 179.995,1347 22.23,1348 7.344,1349 38.91,1350 38.91,1351 24,1352 12.565,1353 3.7,1354 2.907,1355 24.216,1356 48,1357 42,1358 0.27,1359 140.291,1360 237.58,1361 334.07,1362 13686,1364 12.983,1365 0.683,1366 0.589,1367 12.983,1368 11.187,1369 9.22,1370 0.419,1371 0.321,1372 7.039,1373 9.126,1374 6.816,1375 5.629,1376 9.22,1377 7.064,1378 8.815,1379 0.267,1380 0.182,1381 8.815,1382 6.017,1383 7.657,1384 0.163,1385 0.098,1386 7.657,1387 4.59,1388 7.287,1389 0.106,1390 0.057,1391 7.287,1392 3.903,1393 6.019,1394 0.064,1395 0.031,1396 6.019,1397 2.888,1398 0.395,1399 56.019,1400 0.258,1401 18.186,1402 0.837,1403 110,1404 210.957,1405 113.081,1406 217.982,1407 315.86,1408 206,1409 135,1410 247.662,1411 138.497,1412 257.396,1413 381.81,1414 244,1415 7.287}
{0 CHEMBL541885,1 1.413,2 10.5,3 4.418,4 19.516,5 87.942,6 6.531,7 0.261,8 3.882,9 4.015,10 3.327,11 3.384,12 4.912,13 3.339,14 4.449,15 4.656,16 3.636,17 3.756,18 5.421,19 3.675,20 4.687,21 4.924,22 3.669,23 3.879,24 5.59,25 3.768,26 4.757,27 5.003,28 3.596,29 3.842,30 5.707,31 3.728,32 4.67,33 4.925,34 3.548,35 3.76,36 5.639,37 3.649,38 4.528,39 4.75,40 3.43,41 3.68,42 5.572,43 3.572,44 4.497,45 4.748,46 3.313,47 3.58,48 5.513,49 3.452,50 4.296,51 4.537,52 3.136,53 3.467,54 5.267,55 3.334,56 0.037,57 0.634,58 10.73,59 4.341,60 8.926,61 6.113,62 0.352,63 1.006,64 19.785,65 6.931,66 27.99,67 10.204,68 0.178,69 1.186,70 24.978,71 8.97,72 28.378,73 13.045,74 0.345,75 1.181,76 27.547,77 8.898,78 49.168,79 12.862,80 0.335,81 1.079,82 25.185,83 8.278,84 41.103,85 11.999,86 0.261,87 0.95,88 21.74,89 7.539,90 41.29,91 10.524,92 0.329,93 0.896,94 21.191,95 7.178,96 45.068,97 10.201,98 0.184,99 0.786,100 16.982,101 5.872,102 34.108,103 8.575,104 32,105 30,106 0.247,107 0.596,108 0.829,109 0.883,110 0.883,111 0.883,112 3.146,113 1.028,114 -4.25,115 -4.19,116 -3.96,121 39.1,122 1,123 4,126 1,127 2,129 1,142 1,143 1,144 3,145 2,146 1,161 1,176 9,179 3,180 3,185 3,187 9,192 3,197 4,200 6,206 8,211 1,214 3,219 8,222 1,224 1,227 5,232 4,239 6,244 5,247 2,251 6,256 1,264 6,269 2,274 1,277 5,281 678,282 14.93,283 14.93,284 14.93,285 14.93,286 14.93,287 13.894,288 20.096,289 9.249,290 15.214,291 11.28,292 11.28,293 11.28,294 11.28,295 11.28,296 9.537,297 24.298,298 4.303,299 11.717,300 4.111,301 2.108,302 0.778,303 0.468,304 0.468,305 0.468,306 3.807,311 1,312 1,313 468,314 3.873,317 53.951,318 60.121,321 95.248,325 1.591,326 18.781,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 47,338 231,339 4.382,340 3.775,341 6.547,342 4.083,343 3.096,344 3.981,345 2.208,346 10.365,347 3.058,348 3.944,349 3.358,350 5.919,351 3.674,352 2.746,353 3.163,354 0.911,355 8.184,356 2.528,357 3.556,358 2.65,359 5.274,360 3.233,361 2.284,362 2.779,363 0.655,364 6.634,365 2.162,366 3.481,367 2.491,368 5.093,369 2.941,370 1.975,371 2.33,372 0.44,373 5.914,374 1.903,375 3.141,376 2.192,377 4.176,378 2.564,379 1.57,380 2.006,381 0.13,382 3.643,383 1.552,384 2.715,385 2.127,386 3.969,387 2.437,388 1.456,389 1.693,391 3.354,392 1.427,393 2.575,394 1.375,395 3.454,396 2.205,397 1.216,398 1.519,400 2.579,401 1.201,402 2.186,403 1.366,404 3.254,405 2.004,406 1.034,407 1.136,409 2.063,410 0.99,411 2.016,412 0.995,413 3.164,414 1.722,415 0.733,416 0.878,418 1.606,419 0.722,420 1.697,421 0.669,422 2.647,423 1.173,424 0.212,425 0.277,427 0.363,428 0.203,429 1.147,430 0.418,431 2.436,432 1.075,433 0.1,434 0.103,436 0.153,437 0.097,438 1.117,439 0.238,440 2.24,441 0.736,442 -0.236,443 -0.299,445 -0.542,446 -0.225,447 0.617,448 -0.277,449 2,450 0.205,451 -0.775,452 -1,454 -1.675,455 -0.752,456 0.578,457 -0.52,458 1.938,459 0.141,460 -0.858,461 -1.004,463 -1.802,464 -0.855,465 0.163,466 -0.759,467 1.613,468 -0.048,469 -1,470 -1.16,472 -2.402,473 -0.946,474 10.467,475 0.476,476 0.435,477 0.02,478 23.5,479 1.068,480 10,481 0.455,482 13.5,483 0.614,484 19.368,485 0.88,486 24.933,487 0.542,488 16.377,489 0.744,490 4.487,491 0.204,492 6.165,493 0.28,494 0.175,496 0.277,501 0.803,502 1.449,503 0.925,504 1.249,505 0.627,506 1.119,507 0.679,508 1.023,509 0.946,510 0.983,511 0.453,512 0.982,513 0.937,514 1.188,515 0.949,516 1.129,517 0.679,518 1.051,519 1.619,520 0.984,521 1.102,522 0.945,523 1.441,524 0.959,525 1.361,526 0.893,527 0.974,528 0.889,529 1.329,530 0.884,531 1.677,532 1.045,533 1.17,534 1.049,535 1.57,536 1.058,537 1.404,538 0.898,539 1.049,540 0.928,541 1.618,542 0.955,543 1.241,544 1.054,545 1.16,546 1.045,547 1.54,548 1.084,549 4,550 0.065,551 2.444,552 1.354,553 1.053,554 0.535,555 0.426,556 0.333,557 0.19,558 0.11,559 4664,560 10690,561 1.969,562 52.2,563 7,564 11,565 1,567 1,569 4,572 1.644,573 1.833,574 3.36,575 -0.354,577 1,582 64.986,583 1.413,584 3.415,585 4.746,586 5.056,587 5.056,588 5.056,589 2.863,590 4.187,591 4.423,592 3.472,593 802.093,594 7.6,595 9013.55,597 1,599 1,600 254.084,601 1.435,602 4.382,603 0.174,604 0.007,605 0.081,606 0.045,607 0.039,608 0.021,609 0.019,610 0.017,611 0.011,612 0.009,613 0.422,614 0.33,615 1,616 2.201,617 102.427,618 -0.001,619 -0.193,620 0.046,621 -0.092,622 -0.005,623 -0.029,624 0.301,625 0.119,626 0.048,627 0.042,628 0.169,629 0.021,630 0.002,631 -0.163,632 0.027,633 -0.118,634 0.047,635 -0.052,636 -0.182,637 -0.015,638 -0.07,639 0.006,640 -0.137,641 -0.015,642 -0.036,643 0.071,644 0.046,645 0.062,646 -0.06,647 0.066,648 -0.202,649 -0.064,650 -0.14,651 -0.051,652 -0.186,653 -0.086,654 -0.024,655 0.045,656 -0.028,657 0.032,658 -0.113,659 -0.002,660 -0.171,661 -0.032,662 -0.17,663 -0.058,664 -0.126,665 -0.106,666 1.973,667 5.034,668 0.409,669 19.86,670 0.991,671 1.13,672 3.019,673 9.113,674 0.637,675 3.178,676 3.434,677 3.664,678 3.871,679 4.043,680 4.094,681 4.205,682 4.304,683 4.159,684 4.111,685 5.949,686 0.593,687 300.44,688 3.178,689 4.673,690 5.493,691 6.344,692 7.195,693 8.059,694 8.924,695 9.796,696 10.668,697 11.544,698 4.3,700 1,705 1,715 3,720 3,722 6,737 1,741 46,743 8,744 1,745 23,747 47,748 18,749 6,750 3,751 3,756 2,757 3,763 1,767 3,770 5,771 2,772 7,773 9,777 1,782 1,786 1,790 1,793 24,794 4,795 1,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,836 1,837 1,853 1,859 1,864 2,868 22,876 6,877 1,878 1,880 1,881 1,885 1,886 1,891 1,893 4.3,896 1,898 1,901 12,902 8.7,903 5.167,904 3.024,907 1.459,908 1.223,909 0.925,910 6.148,911 8.005,912 3.401,913 3.818,914 4.252,915 4.704,916 5.173,917 5.36,918 5.653,919 5.901,920 5.773,921 5.849,922 1,923 30,924 8.144,926 3.281,927 0.026,929 7.705,931 15.783,933 12.521,936 2.205,937 48.5,940 1,941 270.735,942 118.729,943 21.135,945 36.145,948 118.729,949 306.88,950 21.135,951 17.222,952 17.474,953 46.439,954 25.145,955 22.614,956 58.885,957 258.964,959 270.735,960 139.864,961 36.145,964 223.651,965 83.229,968 44.31,969 78.523,970 17.031,972 270.735,973 57.28,974 118.729,977 270.735,978 32.727,979 48.775,980 35.041,981 59.466,982 270.735,983 57.28,984 118.729,986 0.555,987 0.32,988 0.166,989 0.095,990 12,991 6,992 0.149,993 7,994 1,995 1.222,996 3.43,997 157.889,998 0.222,999 9,1000 98.107,1005 16.704,1006 8.098,1007 4.415,1009 57.28,1010 5.873,1015 3.09,1017 18.011,1018 446.744,1019 29,1024 12.034,1028 -0.306,1031 45.578,1032 51.983,1034 0.256,1035 0.618,1036 0.859,1037 0.915,1038 0.915,1039 0.915,1040 4.63,1041 1.034,1042 5.451,1043 2.579,1044 4.111,1045 4.5,1046 2.503,1047 6.221,1048 4.037,1049 5.788,1050 0.733,1051 6.986,1052 2.063,1053 3.611,1054 4.182,1055 1.847,1056 7.066,1057 3.489,1058 7.063,1059 0.212,1060 8.626,1061 1.606,1062 5.652,1063 6.499,1064 3.569,1065 10.157,1066 5.504,1067 8.371,1068 0.1,1069 10.328,1070 0.363,1071 6.019,1072 7.04,1073 3.656,1074 11.86,1075 5.835,1076 9.712,1077 -0.236,1078 12.071,1079 0.153,1080 7.499,1081 8.839,1082 4.964,1083 14.451,1084 7.295,1085 11.075,1086 -0.775,1087 13.84,1088 -0.542,1089 8.267,1090 9.78,1091 5.37,1092 16.512,1093 8.044,1094 12.457,1095 -0.858,1096 15.63,1097 -1.675,1098 9.522,1099 11.368,1100 6.459,1101 18.932,1102 9.283,1103 3.096,1104 -1,1105 17.434,1106 -1.802,1107 10.477,1108 12.51,1109 7.028,1110 21.147,1111 10.228,1112 2.746,1113 10.365,1114 19.249,1115 -2.402,1116 11.641,1117 13.999,1118 7.994,1119 23.508,1120 11.382,1121 2.284,1122 8.184,1123 21.074,1124 3.981,1125 12.682,1126 15.246,1127 8.654,1128 25.79,1129 12.417,1130 1.975,1131 6.634,1132 22.906,1133 3.163,1134 13.812,1135 16.686,1136 9.549,1137 28.131,1138 13.54,1139 1.57,1140 5.914,1141 24.744,1142 2.779,1143 14.893,1144 17.992,1145 10.263,1146 30.443,1147 14.616,1148 1.456,1149 3.643,1150 26.588,1151 2.33,1152 16.012,1153 19.405,1154 11.116,1155 32.779,1156 15.729,1157 1.216,1158 3.354,1159 28.436,1160 2.006,1161 17.112,1162 20.743,1163 11.862,1164 35.104,1165 16.825,1166 4844,1167 7436,1168 14.909,1169 29.296,1170 34.171,1171 34.26,1172 34.819,1173 32.892,1174 32.846,1175 39.728,1176 8.689,1177 89.714,1178 31.686,1179 5.29,1180 5.775,1181 6.411,1182 5.163,1183 5.096,1184 6.981,1185 3.912,1186 17.023,1187 5.058,1188 11.976,1189 1.486,1190 1.49,1191 1.514,1192 1.43,1193 1.428,1194 1.727,1195 0.378,1196 3.901,1197 1.378,1198 4.033,1199 4.062,1200 3.972,1201 3.963,1202 7.433,1203 3.961,1204 3.748,1205 3.815,1206 3.634,1207 3.567,1208 5.432,1209 3.563,1210 3.585,1211 3.639,1212 3.476,1213 3.444,1214 4.811,1215 3.445,1216 3.479,1217 3.541,1218 3.346,1219 3.303,1220 4.337,1221 3.305,1222 3.362,1223 3.425,1224 3.215,1225 3.193,1226 4.211,1227 3.195,1228 3.041,1229 3.103,1230 2.898,1231 2.871,1232 4.034,1233 2.867,1234 2.978,1235 3.076,1236 2.789,1237 2.763,1238 3.936,1239 2.743,1240 2.917,1241 2.971,1242 2.63,1243 2.621,1244 3.645,1245 2.636,1246 0.191,1247 0.164,1248 0.285,1249 0.178,1250 0.135,1251 4.382,1252 0.173,1253 3.775,1254 0.096,1255 6.547,1256 0.451,1257 4.083,1258 0.133,1259 3.096,1260 3.981,1261 2.208,1262 10.365,1263 3.058,1264 1.894,1265 1.876,1266 1.991,1267 1.992,1268 1.267,1269 1.989,1270 1.715,1271 1.646,1272 1.972,1273 1.912,1274 1.187,1275 1.933,1276 1.636,1277 1.575,1278 1.855,1279 1.822,1280 1.174,1281 1.837,1282 1.437,1283 1.385,1284 1.707,1285 1.687,1286 0.831,1287 1.698,1288 1.407,1289 1.336,1290 1.651,1291 1.575,1292 0.728,1293 1.606,1294 1.073,1295 1.032,1296 1.455,1297 1.31,1298 0.577,1299 1.358,1300 1.02,1301 0.911,1302 1.282,1303 1.278,1304 0.442,1305 1.276,1306 0.841,1307 0.793,1308 1.1,1309 1.129,1310 0.2,1311 1.119,1312 3.85,1314 5.118,1315 2.398,1316 6.578,1317 4.727,1318 8.134,1319 6.823,1320 9.746,1322 3.867,1328 5.361,1329 3.332,1330 5.47,1332 0.252,1333 1.616,1337 5.308,1339 2.604,1340 27.267,1341 64.986,1342 157.109,1343 218.309,1344 232.574,1345 232.574,1346 232.574,1347 41.537,1348 6.547,1349 41.57,1350 41.57,1351 11,1352 12.084,1353 3.17,1354 2.807,1355 42.31,1356 77,1357 88,1358 0.273,1359 172.662,1360 308.08,1361 413.056,1362 5212,1364 15.949,1365 0.725,1366 0.609,1367 15.949,1368 13.393,1369 10.651,1370 0.463,1371 0.343,1372 7.783,1373 10.289,1374 7.536,1375 6.344,1376 10.651,1377 7.879,1378 8.915,1379 0.297,1380 0.189,1381 8.915,1382 5.68,1383 7.288,1384 0.192,1385 0.106,1386 7.288,1387 4.01,1388 5.545,1389 0.118,1390 0.058,1391 5.545,1392 2.703,1393 4.413,1394 0.079,1395 0.032,1396 4.413,1397 1.785,1398 0.428,1399 66.416,1400 0.259,1401 21.939,1402 0.742,1403 106,1404 293.449,1405 116.555,1406 283.127,1407 380.99,1408 264,1409 121,1410 274.782,1411 131.143,1412 278.798,1413 403.85,1414 260,1415 4.947}
{0 CHEMBL542016,1 1.436,2 9,3 3.974,4 15.79,5 84.112,6 6.661,7 0.273,8 3.821,9 3.95,10 3.29,11 3.314,12 4.88,13 3.277,14 4.386,15 4.598,16 3.622,17 3.684,18 5.368,19 3.624,20 4.584,21 4.789,22 3.713,23 3.856,24 5.538,25 3.773,26 4.765,27 4.989,28 3.684,29 3.899,30 5.768,31 3.801,32 4.722,33 4.966,34 3.522,35 3.841,36 5.695,37 3.705,38 4.546,39 4.801,40 3.448,41 3.701,42 5.527,43 3.577,44 4.443,45 4.673,46 3.189,47 3.594,48 5.432,49 3.441,50 4.371,51 4.662,52 2.92,53 3.414,54 5.19,55 3.202,56 0.023,57 0.597,58 9.864,59 3.97,60 8.796,61 5.578,62 0.371,63 0.949,64 18.579,65 6.074,66 26.955,67 9.061,68 0.139,69 1.116,70 22.238,71 8.234,72 22.283,73 11.688,74 0.355,75 1.202,76 27.713,77 9.344,78 51.454,79 13.003,80 0.359,81 1.151,82 26.392,83 9.198,84 48.861,85 13.068,86 0.184,87 0.999,88 21.766,89 7.758,90 36.358,91 11.271,92 0.321,93 0.889,94 19.876,95 7.062,96 40.596,97 9.91,98 0.096,99 0.802,100 18.097,101 6.731,102 26.178,103 10.043,104 39,105 30,106 0.254,107 0.596,108 0.825,109 0.87,110 0.87,111 0.87,112 3.103,113 0.991,114 -4.01,115 -3.96,116 -3.75,121 39.5,122 1,123 2,126 2,127 2,129 1,142 1,143 1,144 3,145 2,146 1,161 1,176 7,179 3,180 6,187 7,192 7,200 5,206 9,214 5,218 1,219 7,227 5,232 4,239 6,243 2,244 1,251 5,256 1,264 3,269 3,281 553,282 14.069,283 14.069,284 14.069,285 14.069,286 14.069,287 13.004,288 19.521,289 8.301,290 14.424,291 10.703,292 10.703,293 10.703,294 10.703,295 10.703,296 8.977,297 23.093,298 3.706,299 11.212,300 3.991,301 2.06,302 0.768,303 0.518,304 0.518,305 0.518,306 3.758,310 1,311 1,312 1,313 379,314 3.873,317 44.227,318 55.916,321 84.548,325 1.524,326 17.637,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 45,338 189,339 4.478,340 3.785,341 6.802,342 4.187,343 3.209,344 4.084,345 2.208,346 11.203,347 3.14,348 3.932,349 3.483,350 6.061,351 3.679,352 2.752,353 3.115,354 1.102,355 8.643,356 2.536,357 3.703,358 2.946,359 5.818,360 3.448,361 2.504,362 2.827,363 0.655,364 7.707,365 2.356,366 3.452,367 2.448,368 5.05,369 2.853,370 1.911,371 2.307,372 0.461,373 5.568,374 1.795,375 3.02,376 2.15,377 4.237,378 2.548,379 1.548,380 2.106,381 0.13,382 3.739,383 1.548,384 2.924,385 1.86,386 3.987,387 2.293,388 1.332,389 1.725,391 3.243,392 1.267,393 2.525,394 1.686,395 3.811,396 2.16,397 1.17,398 1.454,400 2.781,401 1.15,402 2.174,403 1.17,404 3.316,405 1.885,406 0.895,407 1.066,409 1.87,410 0.884,411 1.869,412 1.013,413 2.897,414 1.588,415 0.618,416 0.723,418 1.196,419 0.596,420 1.213,421 0.568,422 2.64,423 1.127,424 0.165,425 0.17,427 0.227,428 0.158,429 1.175,430 0.359,431 2.317,432 0.776,433 -0.202,434 -0.258,436 -0.472,437 -0.194,438 0.912,439 -0.258,440 2,441 0.385,442 -0.576,443 -0.818,445 -0.894,446 -0.551,447 0.538,448 -0.305,449 2,450 0.135,451 -0.844,452 -1.017,454 -2.16,455 -0.821,456 0.462,457 -0.695,458 1.807,459 0.086,460 -0.911,461 -1.195,463 -2.305,464 -0.896,465 -0.185,466 -0.861,467 1.632,468 -0.364,469 -1.303,470 -1.375,472 -2.841,473 -1.223,474 9.967,475 0.475,476 0.507,477 0.024,478 23.25,479 1.107,480 10,481 0.476,482 13.25,483 0.631,484 18.094,485 0.862,486 23.633,487 0.55,488 16.857,489 0.803,490 4.701,491 0.224,492 5.378,493 0.256,494 0.234,496 0.331,501 0.776,502 1.565,503 0.887,504 1.294,505 0.62,506 1.131,507 0.779,508 0.862,509 0.882,510 0.795,511 0.456,512 0.82,513 0.977,514 1.229,515 0.98,516 1.191,517 0.695,518 1.096,519 1.69,520 0.985,521 1.138,522 0.984,523 1.404,524 0.996,525 1.301,526 0.991,527 1.107,528 1.003,529 1.372,530 1.037,531 0.918,532 1.015,533 0.908,534 0.995,535 1.224,536 0.955,537 1.336,538 0.975,539 1.325,540 1.114,541 1.393,542 1.214,543 0.434,544 1.252,545 0.938,546 1.251,547 0.506,548 1.179,549 4,550 0.033,551 3.111,552 1.535,553 1.063,554 0.649,555 0.497,556 0.321,557 0.196,558 0.08,559 3697,560 9183,561 1.941,562 51.2,563 2,564 14,565 1,569 5,572 1.635,573 1.775,574 3.148,575 -0.797,577 1,582 61.735,583 1.436,584 3.367,585 4.658,586 4.908,587 4.908,588 4.908,589 2.661,590 4.202,591 4.358,592 3.26,593 684.564,594 7.485,595 7177.83,597 1,599 1,600 233.329,601 1.545,602 4.294,603 0.182,604 0.006,605 0.104,606 0.048,607 0.035,608 0.026,609 0.021,610 0.019,611 0.016,612 0.01,613 0.466,614 0.67,615 1,616 1.88,617 94.308,618 0.02,619 -0.325,620 0.062,621 -0.158,622 -0.011,623 -0.063,624 0.27,625 0.291,626 0.118,627 0.188,628 0.158,629 0.149,630 -0.018,631 -0.155,632 -0.01,633 -0.153,634 0.032,635 -0.087,636 -0.211,637 -0.016,638 -0.109,639 -0.004,640 -0.135,641 -0.039,642 -0.098,643 -0.039,644 -0.11,645 -0.022,646 -0.148,647 -0.067,648 -0.019,649 -0.038,650 0.059,651 -0.006,652 -0.063,653 0.033,654 -0.129,655 0.019,656 -0.332,657 -0.125,658 -0.199,659 -0.244,660 0.099,661 -0.344,662 -0.018,663 -0.27,664 0.132,665 -0.178,666 1.98,667 4.928,668 0.429,669 17.524,670 0.993,671 1.129,672 2.781,673 7.735,674 0.64,675 3.135,676 3.434,677 3.714,678 3.932,679 4.078,680 4.19,681 4.263,682 4.331,683 4.174,684 4.043,685 5.235,686 0.599,687 286.41,688 3.135,689 4.654,690 5.501,691 6.375,692 7.249,693 8.135,694 9.021,695 9.913,696 10.804,697 11.7,698 4.7,701 1,705 1,715 3,720 3,722 6,737 1,741 43,743 8,744 1,745 22,747 44,748 17,749 6,750 3,751 3,756 2,757 3,763 1,767 3,770 3,771 2,772 7,773 8,777 1,782 1,786 1,790 1,793 22,794 4,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,836 1,837 1,855 1,859 1,864 3,868 21,876 4,878 1,880 1,881 2,885 1,886 1,891 1,893 4.7,896 1,898 1,901 11.833,902 8.65,903 4.889,904 2.689,907 1.523,908 1.235,909 0.92,910 5.139,911 8.006,912 3.367,913 3.818,914 4.287,915 4.765,916 5.188,917 5.396,918 5.659,919 5.925,920 5.825,921 5.897,922 1,923 32,924 7.759,926 3.133,927 0.026,929 7.738,931 14.932,933 11.818,936 2.238,937 47,938 0.001,941 258.964,942 122.056,943 6.249,945 36.145,948 122.056,949 295.109,950 6.249,951 25.618,952 12.405,953 28.429,954 25.145,955 25.739,956 58.885,957 247.193,959 258.964,960 128.305,961 36.145,964 200.109,965 95,968 24.354,969 86.92,970 17.031,972 258.964,973 42.393,974 122.056,977 258.964,978 27.658,979 60.295,980 17.031,981 59.466,982 258.964,983 42.393,984 122.056,986 0.569,987 0.348,988 0.179,989 0.089,990 13,991 7,992 0.114,993 5,994 1,995 1.222,996 3.196,997 154.65,998 0.222,999 9,1000 92.239,1005 15.721,1006 6.864,1007 3.33,1009 42.393,1010 5.903,1015 3.024,1018 423.414,1019 28,1024 11.928,1028 -0.314,1031 42.694,1032 48.567,1034 0.265,1035 0.62,1036 0.858,1037 0.905,1038 0.905,1039 0.905,1040 4.62,1041 0.895,1042 5.493,1043 2.781,1044 4.111,1045 4.5,1046 2.554,1047 6.326,1048 4.024,1049 5.803,1050 0.618,1051 7.076,1052 1.87,1053 3.761,1054 4.27,1055 1.905,1056 7.322,1057 3.614,1058 7.099,1059 0.165,1060 8.764,1061 1.196,1062 5.72,1063 6.536,1064 3.596,1065 10.431,1066 5.547,1067 8.428,1068 -0.202,1069 10.512,1070 0.227,1071 6.217,1072 7.154,1073 3.678,1074 12.258,1075 5.999,1076 9.789,1077 -0.576,1078 12.299,1079 -0.472,1080 7.65,1081 8.926,1082 4.973,1083 14.896,1084 7.411,1085 11.172,1086 -0.844,1087 14.111,1088 -0.894,1089 8.511,1090 9.938,1091 5.376,1092 17.055,1093 8.244,1094 12.574,1095 -0.911,1096 15.941,1097 -2.16,1098 9.754,1099 11.515,1100 6.462,1101 19.54,1102 9.468,1103 3.209,1104 -1.303,1105 17.784,1106 -2.305,1107 10.774,1108 12.719,1109 7.03,1110 21.841,1111 10.469,1112 2.752,1113 11.203,1114 19.638,1115 -2.841,1116 11.948,1117 14.21,1118 7.995,1119 24.275,1120 11.628,1121 2.504,1122 8.643,1123 21.5,1124 4.084,1125 13.039,1126 15.511,1127 8.655,1128 26.638,1129 12.703,1130 1.911,1131 7.707,1132 23.37,1133 3.115,1134 14.193,1135 16.961,1136 9.55,1137 29.057,1138 13.843,1139 1.548,1140 5.568,1141 25.245,1142 2.827,1143 15.317,1144 18.312,1145 10.263,1146 31.447,1147 14.952,1148 1.332,1149 3.739,1150 27.125,1151 2.307,1152 16.466,1153 19.741,1154 11.116,1155 33.862,1156 16.087,1157 1.17,1158 3.243,1159 29.009,1160 2.106,1161 17.606,1162 21.118,1163 11.862,1164 36.265,1165 17.213,1166 3906,1167 6230,1168 13.929,1169 27.534,1170 33.246,1171 33.71,1172 34.868,1173 32.263,1174 32.208,1175 39.156,1176 9.111,1177 92.354,1178 30.856,1179 5.389,1180 5.785,1181 6.571,1182 5.26,1183 5.209,1184 7.084,1185 3.912,1186 18.56,1187 5.14,1188 12.691,1189 1.511,1190 1.532,1191 1.585,1192 1.466,1193 1.464,1194 1.78,1195 0.414,1196 4.198,1197 1.403,1198 4.039,1199 4.068,1200 3.982,1201 3.966,1202 7.433,1203 3.966,1204 3.69,1205 3.754,1206 3.597,1207 3.48,1208 5.43,1209 3.489,1210 3.611,1211 3.675,1212 3.502,1213 3.433,1214 4.806,1215 3.445,1216 3.384,1217 3.441,1218 3.247,1219 3.28,1220 4.313,1221 3.265,1222 3.224,1223 3.29,1224 3.067,1225 2.994,1226 4.198,1227 3,1228 3.147,1229 3.232,1230 2.96,1231 2.947,1232 4.059,1233 2.94,1234 3.008,1235 3.068,1236 2.775,1237 2.784,1238 3.866,1239 2.773,1240 2.793,1241 2.854,1242 2.617,1243 2.553,1244 3.734,1245 2.568,1246 0.204,1247 0.172,1248 0.309,1249 0.19,1250 0.146,1251 4.478,1252 0.186,1253 3.785,1254 0.1,1255 6.802,1256 0.509,1257 4.187,1258 0.143,1259 3.209,1260 4.084,1261 2.208,1262 11.203,1263 3.14,1264 1.896,1265 1.878,1266 1.99,1267 1.993,1268 1.22,1269 1.991,1270 1.671,1271 1.611,1272 1.883,1273 1.881,1274 1.175,1275 1.882,1276 1.601,1277 1.526,1278 1.868,1279 1.835,1280 1.038,1281 1.85,1282 1.437,1283 1.383,1284 1.682,1285 1.592,1286 0.816,1287 1.628,1288 1.187,1289 1.107,1290 1.568,1291 1.473,1292 0.623,1293 1.506,1294 1.173,1295 1.093,1296 1.494,1297 1.379,1298 0.497,1299 1.422,1300 0.975,1301 0.905,1302 1.26,1303 1.236,1304 0.452,1305 1.203,1306 0.892,1307 0.853,1308 1.094,1309 1.148,1310 0.143,1311 1.18,1312 3.807,1314 5.106,1315 2.398,1316 6.608,1317 4.727,1318 8.205,1319 6.862,1320 9.856,1322 5.68,1328 3.161,1330 5.526,1332 0.304,1333 3.714,1337 5.395,1339 2.678,1340 25.74,1341 61.735,1342 144.761,1343 200.31,1344 211.065,1345 211.065,1346 211.065,1347 38.234,1348 6.483,1349 32.78,1350 32.78,1351 11,1352 12.226,1353 3.17,1354 2.807,1355 39.165,1356 65,1357 70,1358 0.309,1359 163.07,1360 290.78,1361 389.651,1362 4559,1364 15.405,1365 0.734,1366 0.616,1367 15.405,1368 12.926,1369 10.079,1370 0.458,1371 0.33,1372 7.156,1373 9.675,1374 6.864,1375 5.774,1376 10.079,1377 7.265,1378 8.624,1379 0.287,1380 0.179,1381 8.624,1382 5.38,1383 7.416,1384 0.185,1385 0.101,1386 7.416,1387 4.052,1388 5.755,1389 0.115,1390 0.054,1391 5.755,1392 2.708,1393 4.105,1394 0.071,1395 0.028,1396 4.105,1397 1.65,1398 0.472,1399 63.186,1400 0.268,1401 20.61,1402 0.885,1403 104,1404 296.761,1405 114.916,1406 285.5,1407 384.71,1408 266,1409 122,1410 278.487,1411 133.142,1412 283.706,1413 412.71,1414 263,1415 4.827}
{0 CHEMBL542018,1 1.531,2 7.25,3 1.608,4 2.585,5 61.566,6 6.884,7 0.353,8 3.555,9 3.686,10 3.039,11 3.04,12 4.63,13 3.018,14 4.094,15 4.276,16 3.384,17 3.428,18 5.206,19 3.366,20 4.333,21 4.569,22 3.323,23 3.49,24 5.299,25 3.398,26 4.247,27 4.473,28 3.183,29 3.336,30 5.332,31 3.245,32 4.127,33 4.371,34 2.961,35 3.064,36 5.239,37 2.987,38 3.772,39 3.984,40 2.733,41 2.88,42 4.8,43 2.809,44 3.718,45 3.948,46 2.704,47 2.848,48 4.895,49 2.739,50 3.749,51 4.025,52 2.171,53 2.706,54 4.71,55 2.533,56 0.031,57 0.455,58 7.319,59 2.897,60 7.171,61 4.012,62 0.266,63 0.701,64 13.38,65 4.962,66 26.592,67 7.062,68 0.191,69 0.795,70 17.666,71 5.819,72 25.756,73 8.523,74 0.177,75 0.695,76 16.331,77 5.182,78 33.191,79 7.516,80 0.315,81 0.549,82 15.213,83 4.04,84 42.446,85 5.933,86 0.182,87 0.427,88 10.276,89 3.008,90 20.424,91 4.301,92 0.134,93 0.43,94 9.405,95 3.113,96 26.492,97 4.614,98 0.216,99 0.39,100 10.316,101 2.694,102 32.717,103 4.211,104 14,105 23,106 0.294,107 0.663,108 0.855,109 0.883,110 0.883,111 0.883,112 2.852,113 0.979,114 -2.81,115 -2.82,116 -2.74,121 37.5,122 1,123 2,127 1,129 1,144 3,145 2,146 1,161 1,165 1,166 1,167 1,176 6,179 1,180 2,183 2,185 3,187 8,189 2,192 2,197 3,200 6,203 3,206 5,211 3,214 1,216 1,219 4,221 1,222 1,224 3,229 1,232 1,237 1,239 2,244 2,246 1,247 1,248 1,249 2,250 1,251 2,264 1,274 1,277 2,279 1,281 252,282 10.732,283 10.732,284 10.732,285 10.732,286 10.732,287 9.878,288 16.585,289 6.449,290 10.961,291 8.353,292 8.353,293 8.353,294 8.353,295 8.353,296 6.934,297 21.016,298 2.992,299 8.674,300 3.469,301 1.546,302 0.547,303 0.399,304 0.399,305 0.399,306 3.501,311 1,312 1,313 241,314 2.828,317 34.641,318 38.454,321 61.03,325 1.156,326 15.763,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 35,338 116,339 4.37,340 3.667,341 6.497,342 4.062,343 3.072,344 3.976,345 2.186,346 10.129,347 3.041,348 3.793,349 3.316,350 5.446,351 3.457,352 2.527,353 3.059,354 0.522,355 7.255,356 2.329,357 3.395,358 2.566,359 4.953,360 3.03,361 2.057,362 2.597,363 0.366,364 5.48,365 1.987,366 3.084,367 2.163,368 4.784,369 2.817,370 1.834,371 2.225,373 5.324,374 1.798,375 2.486,376 1.511,377 4.046,378 2.225,379 1.235,380 1.484,382 3.284,383 1.221,384 2.128,385 1.342,386 3.257,387 1.984,388 1.023,389 1.087,391 1.809,392 0.974,393 1.913,394 0.952,395 3.089,396 1.692,397 0.704,398 0.823,400 1.525,401 0.693,402 1.173,403 0.628,404 2.503,405 0.855,406 -0.08,407 -0.092,409 -0.187,410 -0.074,411 0.691,412 0.018,413 2.195,414 0.437,415 -0.549,416 -0.596,418 -0.895,419 -0.527,420 0.612,421 -0.285,422 2,423 0.283,424 -0.709,425 -0.867,427 -1.691,428 -0.704,429 0.524,430 -0.621,431 1.8,432 0.141,433 -0.859,434 -1.164,436 -2.592,437 -0.86,438 -0.031,439 -0.831,440 1.412,441 -0.22,442 -1.194,443 -1.419,445 -3.047,446 -1.157,447 -0.41,448 -1.234,449 1.287,450 -0.614,451 -1.568,452 -1.837,454 -3.664,455 -1.499,456 -0.5,457 -1.378,458 1.044,459 -0.729,460 -1.715,461 -1.899,463 -4.821,464 -1.613,465 -0.578,466 -1.403,467 0.815,468 -0.859,469 -1.809,470 -2.033,471 -0.522,472 -5.335,473 -1.701,474 7.467,475 0.467,476 0.383,477 0.024,478 18,479 1.125,480 8,481 0.5,482 10,483 0.625,484 11.674,485 0.73,486 18.333,487 0.573,488 11.12,489 0.695,490 3.463,491 0.216,492 4.24,493 0.265,494 0.165,496 0.335,501 0.86,502 1.251,503 0.885,504 1.128,505 0.747,506 1.012,507 0.48,508 1.071,509 0.844,510 1.074,511 0.439,512 1.027,513 1.012,514 1.025,515 0.952,516 1.004,517 0.815,518 0.97,519 1.236,520 1.204,521 1.079,522 1.188,523 1.162,524 1.122,525 1.705,526 0.893,527 1.108,528 0.854,529 1.709,530 0.885,531 1.744,532 0.999,533 1.215,534 0.917,535 1.347,536 0.978,537 0.68,538 1.256,539 1.017,540 1.296,541 1.073,542 1.233,543 1.535,544 0.768,545 1.408,546 0.835,547 2.089,548 1.051,549 3.5,551 1.778,552 1.229,553 0.608,554 0.316,555 0.29,556 0.156,557 0.076,558 0.025,559 1878,560 4740,561 1.993,562 50,563 2,564 6,567 3,569 5,572 1.549,573 1.846,574 2.875,575 1.25,577 1,578 1,579 1,582 48.98,583 1.531,584 3.454,585 4.453,586 4.601,587 4.601,588 4.601,589 2.281,590 3.875,591 3.969,592 2.982,593 357.829,594 6.675,595 3084.02,597 1,599 1,600 160,601 1.477,602 3.918,603 0.206,605 0.077,606 0.059,607 0.036,608 0.024,609 0.026,610 0.016,611 0.015,612 0.008,613 0.467,614 0.67,615 1,616 1.703,617 64.566,618 -0.089,619 0.037,620 0.019,621 0.029,622 -0.105,623 0.049,624 0.357,625 0.068,626 0.084,627 0.011,628 0.221,629 0.002,630 -0.087,631 -0.026,632 0.006,633 -0.007,634 -0.047,635 0.016,636 -0.118,637 -0.235,638 -0.099,639 -0.206,640 -0.054,641 -0.157,642 -0.162,643 -0.015,644 -0.05,645 0.033,646 -0.156,647 0.01,648 -0.318,649 -0.029,650 -0.191,651 0.04,652 -0.225,653 -0.046,654 0.183,655 -0.233,656 -0.07,657 -0.311,658 0.168,659 -0.257,660 -0.366,661 0.158,662 -0.401,663 0.028,664 -0.39,665 -0.158,666 2.089,667 4.23,668 0.563,669 10.219,670 1.001,671 1.135,672 1.583,673 2.506,674 0.633,675 2.89,676 3.178,677 3.401,678 3.638,679 3.738,680 3.738,681 3.829,682 3.829,683 3.497,684 3.178,685 4.42,686 0.599,687 220.3,688 2.89,689 4.394,690 5.22,691 6.084,692 6.934,693 7.807,694 8.668,695 9.543,696 10.41,697 11.288,698 6.3,699 1,705 1,715 3,720 3,722 6,737 1,741 32,743 7,744 1,745 17,747 33,748 12,749 6,750 3,751 3,756 2,757 3,763 1,767 3,770 3,772 7,773 5,777 1,782 1,786 1,790 1,793 16,794 4,795 3,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,851 1,859 1,864 1,868 16,869 1,876 3,877 1,878 1,880 1,893 6.3,896 1,898 1,901 8.667,902 5.75,903 3.639,904 2.056,907 1.317,908 1.222,909 0.947,910 3.342,911 7.239,912 3.091,913 3.597,914 4.065,915 4.579,916 5.02,917 5.145,918 5.397,919 5.503,920 5.078,921 4.747,922 0.8,923 21,924 5.91,926 2.448,927 0.026,929 7.844,931 11.287,933 9.105,936 2.344,937 37.5,938 0.003,941 153.024,942 62.806,943 50.908,945 36.145,948 62.806,949 189.169,950 50.908,951 8.825,952 58.083,953 28.429,954 25.145,955 22.614,956 6.763,957 153.024,959 153.024,960 113.714,961 36.145,964 94.169,965 95,968 66.908,969 46.806,972 153.024,973 87.053,974 62.806,977 153.024,978 25.552,979 37.254,980 18.011,981 69.042,982 153.024,983 87.053,984 62.806,986 0.569,987 0.325,988 0.176,989 0.085,990 11,991 5,992 0.091,993 3,994 1,995 1.222,996 2.843,997 103.244,998 0.222,999 9,1000 64,1005 11.27,1006 4.744,1007 2.493,1009 87.053,1010 5.658,1015 2.916,1017 50.908,1018 302.883,1019 21,1024 11.23,1028 -0.422,1031 32.043,1032 36.322,1034 0.306,1035 0.691,1036 0.891,1037 0.92,1038 0.92,1039 0.92,1040 4.311,1041 -0.08,1042 5.198,1043 1.525,1044 3.85,1045 4.277,1046 2.31,1047 5.979,1048 3.785,1049 5.482,1050 -0.549,1051 6.739,1052 -0.187,1053 3.434,1054 4.086,1055 1.784,1056 6.823,1057 3.346,1058 6.77,1059 -0.709,1060 8.38,1061 -0.895,1062 5.407,1063 6.353,1064 3.495,1065 9.901,1066 5.286,1067 8.094,1068 -0.859,1069 10.077,1070 -1.691,1071 5.802,1072 6.949,1073 3.59,1074 11.594,1075 5.672,1076 9.45,1077 -1.194,1078 11.813,1079 -2.592,1080 7.259,1081 8.744,1082 4.905,1083 14.182,1084 7.107,1085 10.829,1086 -1.568,1087 13.575,1088 -3.047,1089 8.038,1090 9.705,1091 5.289,1092 16.238,1093 7.885,1094 12.224,1095 -1.715,1096 15.359,1097 -3.664,1098 9.283,1099 11.301,1100 6.387,1101 18.652,1102 9.119,1103 3.072,1104 -1.809,1105 17.159,1106 -4.821,1107 10.244,1108 12.451,1109 6.93,1110 20.862,1111 10.081,1112 2.527,1113 10.129,1114 18.972,1115 -5.335,1116 11.406,1117 13.948,1118 7.902,1119 23.212,1120 11.236,1121 2.057,1122 7.255,1123 20.796,1124 3.976,1125 12.45,1126 15.2,1127 8.539,1128 25.484,1129 12.281,1130 1.834,1131 5.48,1132 22.629,1133 3.059,1134 13.581,1135 16.646,1136 9.436,1137 27.812,1138 13.407,1139 1.235,1140 5.324,1141 24.468,1142 2.597,1143 14.664,1144 17.953,1145 10.13,1146 30.109,1147 14.488,1148 1.023,1149 3.284,1150 26.314,1151 2.225,1152 15.784,1153 19.37,1154 10.981,1155 32.428,1156 15.604,1157 0.704,1158 1.809,1159 28.165,1160 1.484,1161 16.886,1162 20.71,1163 11.71,1164 34.736,1165 16.702,1166 1965,1167 3196,1168 11.038,1169 20.25,1170 25.042,1171 26.005,1172 26.261,1173 24.943,1174 24.903,1175 30.499,1176 6.148,1177 69.613,1178 24.088,1179 5.235,1180 5.667,1181 6.269,1182 5.122,1183 5.072,1184 6.976,1185 3.889,1186 16.655,1187 5.041,1188 8.088,1189 1.473,1190 1.53,1191 1.545,1192 1.467,1193 1.465,1194 1.794,1195 0.362,1196 4.095,1197 1.417,1198 4.024,1199 4.052,1200 3.964,1201 3.957,1202 7.435,1203 3.955,1204 3.635,1205 3.697,1206 3.54,1207 3.392,1208 5.035,1209 3.41,1210 3.459,1211 3.521,1212 3.315,1213 3.309,1214 4.744,1215 3.299,1216 3.173,1217 3.219,1218 3.029,1219 2.912,1220 4.279,1221 2.935,1222 3.033,1223 3.126,1224 2.858,1225 2.804,1226 4.098,1227 2.821,1228 2.724,1229 2.827,1230 2.508,1231 2.461,1232 3.72,1233 2.457,1234 2.556,1235 2.639,1236 2.391,1237 2.38,1238 3.547,1239 2.373,1240 2.412,1241 2.518,1242 2.104,1243 2.061,1244 3.355,1245 2.047,1246 0.257,1247 0.216,1248 0.382,1249 0.239,1250 0.181,1251 4.37,1252 0.234,1253 3.667,1254 0.129,1255 6.497,1256 0.596,1257 4.062,1258 0.179,1259 3.072,1260 3.976,1261 2.186,1262 10.129,1263 3.041,1264 1.891,1265 1.873,1266 1.984,1267 1.981,1268 1.175,1269 1.98,1270 1.579,1271 1.513,1272 1.842,1273 1.812,1274 1.142,1275 1.82,1276 1.549,1277 1.471,1278 1.827,1279 1.77,1280 0.988,1281 1.794,1282 1.143,1283 1.11,1284 1.366,1285 1.442,1286 0.471,1287 1.414,1288 0.966,1289 0.908,1290 1.234,1291 1.275,1292 0.22,1293 1.28,1294 0.771,1295 0.703,1296 1.077,1297 0.976,1298 0.158,1299 1.015,1300 0.53,1301 0.386,1302 0.964,1303 0.91,1305 0.937,1306 0.392,1307 0.274,1308 0.827,1309 0.78,1311 0.806,1312 3.555,1314 4.844,1315 2.398,1316 6.323,1317 4.727,1318 7.893,1319 6.804,1320 9.517,1322 1.847,1326 5.949,1328 2.543,1329 2.581,1330 5.123,1332 0.077,1340 19.16,1341 48.98,1342 110.516,1343 142.49,1344 147.245,1345 147.245,1346 147.245,1347 23.257,1348 5.922,1349 64.35,1350 64.35,1351 11,1352 11.828,1353 3,1354 2.322,1355 26.053,1356 42,1357 46,1358 0.32,1359 120.963,1360 209.56,1361 286.91,1362 2206,1364 11.544,1365 0.721,1366 0.583,1367 11.544,1368 9.325,1369 7.703,1370 0.453,1371 0.326,1372 5.472,1373 7.397,1374 5.345,1375 4.454,1376 7.703,1377 5.545,1378 6.787,1379 0.295,1380 0.171,1381 6.787,1382 3.926,1383 5.398,1384 0.186,1385 0.096,1386 5.398,1387 2.773,1388 4.499,1389 0.122,1390 0.053,1391 4.499,1392 1.963,1393 3.178,1394 0.078,1395 0.028,1396 3.178,1397 1.156,1398 0.487,1399 48.353,1400 0.301,1401 16.181,1402 0.906,1403 80,1404 237.116,1405 89.501,1406 225.302,1407 304.39,1408 210,1409 92,1410 223.233,1411 99.647,1412 222.511,1413 325.22,1414 210,1415 4.752}
{0 CHEMBL542220,1 1.44,2 14.036,3 4.27,4 18.235,5 111.174,6 7.009,7 0.567,8 4.062,9 4.178,10 3.575,11 3.588,12 5.137,13 3.56,14 4.586,15 4.765,16 3.871,17 3.94,18 5.654,19 3.886,20 4.798,21 4.996,22 3.875,23 4.067,24 5.755,25 3.976,26 4.878,27 5.12,28 3.769,29 4.019,30 5.792,31 3.901,32 4.787,33 5.019,34 3.692,35 3.96,36 5.698,37 3.834,38 4.805,39 5.062,40 3.598,41 3.901,42 5.651,43 3.762,44 4.712,45 4.961,46 3.495,47 3.827,48 5.578,49 3.685,50 4.634,51 4.885,52 3.451,53 3.766,54 5.476,55 3.622,56 0.024,57 0.731,58 11.73,59 5.127,60 7.914,61 6.757,62 0.388,63 1.151,64 21.731,65 8.017,66 35.156,67 10.935,68 0.237,69 1.342,70 27.227,71 10.635,72 32.519,73 14.228,74 0.386,75 1.397,76 30.796,77 11.03,78 46.514,79 15.266,80 0.282,81 1.302,82 27.532,83 10.305,84 37.359,85 14.307,86 0.284,87 1.284,88 28.731,89 10.354,90 38.383,91 14.53,92 0.377,93 1.191,94 26.187,95 9.251,96 40.133,97 12.933,98 0.184,99 1.112,100 23.741,101 8.828,102 27.386,103 12.509,104 13,105 39,106 0.239,107 0.538,108 0.723,109 0.852,110 0.882,111 0.894,112 3.373,113 0.943,114 -4.53,115 -4.46,116 -4.2,121 42.6,123 1,126 2,127 3,144 11,145 3,146 2,161 1,176 13,179 1,180 7,183 2,187 16,192 6,200 12,205 1,206 6,211 2,214 7,218 1,219 5,224 2,227 5,232 5,237 1,239 3,243 1,244 5,247 1,251 3,256 3,264 3,268 1,269 4,274 1,277 6,281 1306,282 19.093,283 19.093,284 19.093,285 19.093,286 19.093,287 16.948,288 20.79,289 11.664,290 19.532,291 14.798,292 14.798,293 14.798,294 14.798,295 14.798,296 11.54,297 26.371,298 5.543,299 15.434,300 4.315,301 2.508,302 1.39,303 0.611,304 0.435,305 0.361,306 4.06,311 1,312 1,313 836,314 3.937,318 279.51,322 146.79,325 2.11,326 18.355,328 1,329 1,330 1,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.88,337 60,338 393,339 4.406,340 3.66,341 6.183,342 3.915,343 2.923,344 4.336,345 2.186,346 9.226,347 2.901,348 4.105,349 3.022,350 5.681,351 3.723,352 2.761,353 3.688,354 0.916,355 7.996,356 2.661,357 3.673,358 2.982,359 5.291,360 3.381,361 2.452,362 3.056,363 0.86,364 6.817,365 2.261,366 3.647,367 2.65,368 5.256,369 3.24,370 2.302,371 2.885,372 0.366,373 6.677,374 2.148,375 3.376,376 2.606,377 4.862,378 3.109,379 2.156,380 2.514,381 0.172,382 5.592,383 2.036,384 3.118,385 2.167,386 4.584,387 2.765,388 1.794,389 2.427,391 4.812,392 1.732,393 3.082,394 1.671,395 4.415,396 2.618,397 1.618,398 2.17,400 4.37,401 1.618,402 2.904,403 1.618,404 3.641,405 2.436,406 1.46,407 2.093,409 3.089,410 1.423,411 2.663,412 1.397,413 3.554,414 2.299,415 1.329,416 1.733,418 2.861,419 1.281,420 2.437,421 1.274,422 3.481,423 2.169,424 1.18,425 1.432,427 2.595,428 1.164,429 2.172,430 1.101,431 3.174,432 1.705,433 0.716,434 1.028,436 1.64,437 0.706,438 1.535,439 0.817,440 2.965,441 1.328,442 0.405,443 0.445,445 0.93,446 0.371,447 1.507,448 0.64,449 2.82,450 1.298,451 0.382,452 0.408,454 0.558,455 0.345,456 1.186,457 0.615,458 2.553,459 0.812,460 -0.157,461 -0.185,463 -0.394,464 -0.151,465 1.073,466 0.13,467 2.254,468 0.713,469 -0.261,470 -0.337,472 -0.612,473 -0.249,474 13.3,475 0.475,476 0.537,477 0.019,478 36,479 1.286,480 18.5,481 0.661,482 17.5,483 0.625,484 21.209,485 0.757,486 30.5,487 0.565,488 26.373,489 0.942,490 7.503,491 0.268,492 6.132,493 0.219,494 0.1,496 0.256,501 0.819,502 1.333,503 0.842,504 1.163,505 0.643,506 1.026,507 0.929,508 0.881,509 0.957,510 0.896,511 0.549,512 0.91,513 1.167,514 1.108,515 1.066,516 1.11,517 0.86,518 1.084,519 1.155,520 0.95,521 1.019,522 0.95,523 1.065,524 0.966,525 0.961,526 1.112,527 1.058,528 1.121,529 0.962,530 1.109,531 1.045,532 1.034,533 0.994,534 1.011,535 0.845,536 1.002,537 1.11,538 0.939,539 1.126,540 0.989,541 1.095,542 1.051,543 0.844,544 1.169,545 1.017,546 1.138,547 0.688,548 1.109,549 5.5,550 0.103,551 2,552 1.438,553 1.138,554 0.521,555 0.444,556 0.252,557 0.209,558 0.132,559 11646,560 29687,561 2.055,562 48.1,564 23,567 1,570 2,572 1.702,573 1.953,574 3.77,575 -0.394,577 1,582 77.756,583 1.44,584 3.247,585 4.365,586 5.143,587 5.32,588 5.394,589 3.226,590 4.593,591 4.782,592 3.947,593 1492.13,594 8.266,595 21715.5,597 1,599 1,600 310.764,601 1.255,602 4.752,603 0.183,604 0.005,605 0.051,606 0.038,607 0.034,608 0.017,609 0.016,610 0.01,611 0.009,612 0.006,613 0.371,614 0.33,615 1,616 1.032,617 146.082,618 -0.009,619 -0.162,620 0.056,621 -0.084,622 -0.037,623 -0.017,624 0.153,625 0.235,626 0.012,627 0.098,628 0.185,629 0.051,630 -0.108,631 -0.103,632 -0.098,633 -0.093,634 -0.041,635 -0.095,636 -0.06,637 0.013,638 -0.021,639 0.021,640 -0.04,641 0.006,642 -0.011,643 -0.132,644 -0.085,645 -0.133,646 -0.043,647 -0.124,648 -0.058,649 -0.096,650 -0.002,651 -0.041,652 -0.029,653 -0.02,654 -0.06,655 0.035,656 -0.13,657 -0.032,658 -0.115,659 -0.085,660 -0.019,661 -0.206,662 -0.049,663 -0.157,664 0.001,665 -0.117,666 2.128,667 4.321,668 0.571,669 29.689,670 0.996,671 1.122,672 3.3,673 10.891,674 0.658,675 3.434,676 3.689,677 3.871,678 4.078,679 4.263,680 4.22,681 4.248,682 4.29,683 4.234,684 4.078,685 8.207,686 0.621,687 378.51,688 3.434,689 4.934,690 5.74,691 6.578,692 7.398,693 8.241,694 9.068,695 9.913,696 10.743,697 11.59,698 3.7,701 1,705 1,714 2,715 11,720 3,722 17,737 1,739 1,741 54,743 18,744 3,745 30,747 56,748 23,749 16,750 5,751 11,756 3,757 4,770 1,772 17,773 6,777 1,782 1,786 1,790 1,793 26,794 5,795 1,796 5,802 2,808 0.667,809 3,829 3,833 1,855 1,859 2,864 2,868 28,876 4,877 1,878 2,881 1,893 5.6,896 1,898 2,901 14.333,902 10.117,903 6.361,904 3.15,907 3.275,908 1.455,909 0.961,910 7.29,911 10.474,912 3.701,913 4.248,914 4.766,915 5.328,916 5.88,917 6.022,918 6.292,919 6.59,920 6.758,921 6.201,922 1,923 38,924 10.317,926 4.167,927 0.026,929 7.661,931 19.893,933 15.606,936 2.161,937 60.5,939 1,940 1,941 294.278,942 157.951,943 21.135,945 47.145,948 157.951,949 341.422,950 21.135,951 16.793,952 29.349,953 104.239,954 25.145,955 43.942,956 6.763,957 294.278,959 294.278,960 179.086,961 47.145,964 270.735,965 70.687,968 32.473,969 146.612,972 294.278,973 68.28,974 157.951,977 294.278,978 36.919,979 124.156,980 18.011,981 47.145,982 294.278,983 68.28,984 157.951,986 0.562,987 0.314,988 0.165,989 0.091,990 16,991 7,992 0.161,993 9,994 1,995 1.125,996 4.192,997 216.824,998 0.125,999 16,1000 134.606,1005 20.183,1006 10.114,1007 6.244,1008 2.41,1009 68.28,1010 22.039,1015 2.546,1017 18.011,1018 520.508,1019 39.5,1024 11.321,1028 -0.462,1031 53.789,1032 60.607,1034 0.25,1035 0.564,1036 0.758,1037 0.894,1038 0.924,1039 0.937,1040 4.892,1041 1.46,1042 5.68,1043 4.37,1044 4.369,1045 4.934,1046 2.527,1047 6.385,1048 4.293,1049 6.062,1050 1.329,1051 7.168,1052 3.089,1053 3.761,1054 4.605,1055 1.847,1056 7.034,1057 3.642,1058 7.334,1059 1.18,1060 8.748,1061 2.861,1062 5.861,1063 7.088,1064 3.551,1065 10.082,1066 5.715,1067 8.639,1068 0.716,1069 10.382,1070 2.595,1071 6.043,1072 7.591,1073 3.603,1074 11.549,1075 5.861,1076 9.974,1077 0.405,1078 12.052,1079 1.64,1080 7.588,1081 9.547,1082 4.916,1083 14.083,1084 7.393,1085 11.332,1086 0.382,1087 13.746,1088 0.93,1089 8.173,1090 10.49,1091 5.291,1092 15.928,1093 7.954,1094 12.708,1095 -0.157,1096 15.459,1097 0.558,1098 9.459,1099 12.196,1100 6.389,1101 18.26,1102 9.232,1103 2.923,1104 -0.261,1105 17.186,1106 -0.394,1107 10.261,1108 13.381,1109 6.93,1110 20.291,1111 10.021,1112 2.761,1113 9.226,1114 18.924,1115 -0.612,1116 11.42,1117 14.959,1118 7.902,1119 22.542,1120 11.174,1121 2.452,1122 7.996,1123 20.673,1124 4.336,1125 12.339,1126 16.276,1127 8.539,1128 24.664,1129 12.086,1130 2.302,1131 6.817,1132 22.429,1133 3.688,1134 13.438,1135 17.791,1136 9.436,1137 26.885,1138 13.181,1139 2.156,1140 6.677,1141 24.193,1142 3.056,1143 14.42,1144 19.177,1145 10.13,1146 29.051,1147 14.158,1148 1.794,1149 5.592,1150 25.964,1151 2.885,1152 15.492,1153 20.662,1154 10.981,1155 31.264,1156 15.226,1157 1.618,1158 4.812,1159 27.74,1160 2.514,1161 16.508,1162 22.084,1163 11.71,1164 33.453,1165 16.238,1166 11231,1167 18055,1168 20.167,1169 35.512,1170 43.013,1171 44.486,1172 44.21,1173 42.926,1174 42.957,1175 56.432,1176 9.003,1177 114.324,1178 41.293,1179 5.338,1180 5.66,1181 5.87,1182 4.979,1183 4.923,1184 7.336,1185 3.889,1186 15.535,1187 4.901,1188 12.431,1189 1.434,1190 1.483,1191 1.474,1192 1.431,1193 1.432,1194 1.881,1195 0.3,1196 3.811,1197 1.376,1198 4.081,1199 4.1,1200 4.032,1201 4.036,1202 7.435,1203 4.032,1204 3.939,1205 3.969,1206 3.877,1207 3.857,1208 4.948,1209 3.857,1210 3.685,1211 3.745,1212 3.558,1213 3.505,1214 4.813,1215 3.507,1216 3.535,1217 3.592,1218 3.45,1219 3.371,1220 4.57,1221 3.368,1222 3.481,1223 3.527,1224 3.38,1225 3.215,1226 4.32,1227 3.259,1228 3.303,1229 3.379,1230 3.132,1231 3.113,1232 4.222,1233 3.108,1234 3.048,1235 3.098,1236 2.927,1237 2.956,1238 4.083,1239 2.943,1240 3.028,1241 3.083,1242 2.848,1243 2.808,1244 4.012,1245 2.799,1246 0.147,1247 0.122,1248 0.206,1249 0.13,1250 0.097,1251 4.406,1252 0.145,1253 3.66,1254 0.073,1255 6.183,1256 0.308,1257 3.915,1258 0.097,1259 2.923,1260 4.336,1261 2.186,1262 9.226,1263 2.901,1264 2.065,1265 2.047,1266 2.149,1267 2.124,1268 1.28,1269 2.133,1270 1.91,1271 1.885,1272 2.032,1273 2.023,1274 1.246,1275 2.027,1276 1.655,1277 1.593,1278 1.889,1279 1.863,1280 1.113,1281 1.872,1282 1.472,1283 1.433,1284 1.692,1285 1.735,1286 0.787,1287 1.719,1288 1.402,1289 1.333,1290 1.662,1291 1.639,1292 0.681,1293 1.648,1294 1.303,1295 1.222,1296 1.599,1297 1.51,1298 0.675,1299 1.545,1300 1.064,1301 1.018,1302 1.355,1303 1.265,1304 0.497,1305 1.281,1306 1.003,1307 0.927,1308 1.288,1309 1.207,1310 0.408,1311 1.236,1312 4.111,1314 5.38,1316 6.836,1318 8.38,1320 9.972,1322 3.613,1328 3.287,1329 2.446,1330 11.074,1333 2.225,1340 33.509,1341 77.756,1342 175.353,1343 235.691,1344 277.744,1345 287.254,1346 291.254,1347 42.696,1348 7.2,1349 50.8,1350 50.8,1351 18,1352 12.154,1353 4.248,1354 3.392,1355 50.215,1356 141,1357 122,1358 0.169,1359 208.445,1360 361.29,1361 500.365,1362 15082,1364 19.769,1365 0.706,1366 0.584,1367 19.769,1368 16.351,1369 13.635,1370 0.455,1371 0.314,1372 9.289,1373 13.113,1374 9.002,1375 7.551,1376 13.635,1377 9.425,1378 11.757,1379 0.301,1380 0.173,1381 11.757,1382 6.736,1383 9.267,1384 0.197,1385 0.094,1386 9.267,1387 4.439,1388 7.412,1389 0.128,1390 0.052,1391 7.412,1392 3.038,1393 5.899,1394 0.084,1395 0.028,1396 5.899,1397 1.989,1398 0.28,1399 85.369,1400 0.223,1401 27.78,1402 0.426,1403 138,1404 403.185,1405 151.432,1406 385.137,1407 523.15,1408 362,1409 155,1410 378.533,1411 167.135,1412 384.246,1413 553.18,1414 359,1415 7.083}
{0 CHEMBL542265,1 1.465,2 8,3 2.338,4 5.464,5 70.987,6 6.536,7 0.316,8 3.708,9 3.843,10 3.152,11 3.186,12 4.733,13 3.149,14 4.273,15 4.476,16 3.496,17 3.58,18 5.28,19 3.508,20 4.505,21 4.737,22 3.505,23 3.678,24 5.457,25 3.579,26 4.549,27 4.794,28 3.347,29 3.564,30 5.568,31 3.46,32 4.368,33 4.62,34 3.204,35 3.355,36 5.426,37 3.255,38 4.173,39 4.404,40 2.971,41 3.21,42 5.178,43 3.115,44 4.012,45 4.253,46 2.969,47 3.189,48 5.055,49 3.063,50 4.041,51 4.291,52 2.692,53 3.159,54 4.967,55 2.998,56 0.031,57 0.533,58 9.053,59 3.526,60 7.558,61 5.035,62 0.317,63 0.83,64 16.619,65 5.818,66 24.948,67 8.564,68 0.151,69 0.959,70 20.914,71 7.163,72 23.374,73 10.586,74 0.332,75 0.89,76 22.651,77 6.594,78 47.766,79 9.805,80 0.287,81 0.721,82 18.877,83 5.547,84 41.503,85 8.236,86 0.298,87 0.598,88 15.673,89 4.517,90 35.653,91 6.512,92 0.155,93 0.587,94 12.677,95 4.488,96 26.467,97 6.623,98 0.193,99 0.579,100 13.271,101 4.206,102 29.181,103 6.374,104 22,105 26,106 0.27,107 0.608,108 0.83,109 0.873,110 0.873,111 0.873,112 2.96,113 1.015,114 -3.35,115 -3.33,116 -3.19,121 36.8,122 1,123 3,126 1,127 1,129 1,144 3,145 2,146 1,161 1,165 1,166 1,167 1,176 7,179 3,180 3,185 2,187 8,189 2,192 3,197 3,200 6,203 3,206 7,211 1,214 1,216 1,219 8,221 1,222 1,224 1,229 1,232 2,239 2,244 4,246 2,247 2,251 4,264 3,274 1,277 3,279 1,281 360,282 11.939,283 11.939,284 11.939,285 11.939,286 11.939,287 11.109,288 17.214,289 7.069,290 12.175,291 9.304,292 9.304,293 9.304,294 9.304,295 9.304,296 7.908,297 21.78,298 3.257,299 9.676,300 3.783,301 1.95,302 0.744,303 0.513,304 0.513,305 0.513,306 3.61,310 1,311 1,312 1,313 298,314 3.317,317 41.832,318 46.059,321 73.214,325 1.222,326 17.247,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 39,338 144,339 4.371,340 3.775,341 6.498,342 4.063,343 3.074,344 3.976,345 2.208,346 10.131,347 3.042,348 3.941,349 3.32,350 5.917,351 3.67,352 2.742,353 3.16,354 0.655,355 8.171,356 2.524,357 3.522,358 2.603,359 5.24,360 3.202,361 2.254,362 2.768,363 0.522,364 6.544,365 2.132,366 3.088,367 2.189,368 4.946,369 2.835,370 1.854,371 2.229,372 0.13,373 5.4,374 1.816,375 2.638,376 2.153,377 4.077,378 2.416,379 1.434,380 1.6,382 3.449,383 1.394,384 2.483,385 1.342,386 3.918,387 2.214,388 1.219,389 1.476,391 3.104,392 1.21,393 1.93,394 1.03,395 3.235,396 1.766,397 0.799,398 0.873,400 1.666,401 0.767,402 1.832,403 0.944,404 2.939,405 1.653,406 0.664,407 0.75,409 1.236,410 0.652,411 1.171,412 0.603,413 2.442,414 0.818,415 -0.145,416 -0.176,418 -0.35,419 -0.137,420 0.624,421 -0.156,422 2.182,423 0.37,424 -0.589,425 -0.593,427 -0.903,428 -0.56,429 0.581,430 -0.376,431 2,432 0.284,433 -0.687,434 -0.799,436 -1.688,437 -0.659,438 0.42,439 -0.539,440 1.819,441 0.141,442 -0.858,443 -1.158,445 -2.591,446 -0.855,447 -0.012,448 -0.778,449 1.508,450 -0.21,451 -1.19,452 -1.395,454 -3.033,455 -1.156,456 -0.215,457 -1.026,458 1.323,459 -0.422,460 -1.378,461 -1.536,463 -3.273,464 -1.327,465 -0.5,466 -1.343,467 1.222,468 -0.711,469 -1.664,470 -1.883,472 -4.413,473 -1.542,474 8.467,475 0.47,476 0.473,477 0.026,478 19.25,479 1.069,480 8,481 0.444,482 11.25,483 0.625,484 14.877,485 0.827,486 20.933,487 0.551,488 12.6,489 0.7,490 3.602,491 0.2,492 5.012,493 0.278,494 0.205,496 0.343,501 0.828,502 1.422,503 0.926,504 1.249,505 0.736,506 1.113,507 0.576,508 0.981,509 0.867,510 0.967,511 0.466,512 0.951,513 0.929,514 1.214,515 0.949,516 1.173,517 0.728,518 1.077,519 1.681,520 0.988,521 1.155,522 0.963,523 1.595,524 0.982,525 1.465,526 1.001,527 1.015,528 0.984,529 1.465,530 0.947,531 2.14,532 0.834,533 1.265,534 0.787,535 1.872,536 0.899,537 0.588,538 1.148,539 0.943,540 1.183,541 0.926,542 1.131,543 1.306,544 1.013,545 1.349,546 1.052,547 1.751,548 1.183,549 4,550 0.02,551 2.444,552 1.354,553 0.848,554 0.372,555 0.31,556 0.259,557 0.12,558 0.06,559 2616,560 5838,561 1.963,562 52.6,563 5,564 9,567 2,569 4,572 1.585,573 1.8,574 3.01,575 0.374,577 1,578 1,579 1,582 55.68,583 1.465,584 3.298,585 4.504,586 4.735,587 4.735,588 4.735,589 2.461,590 4.059,591 4.142,592 3.132,593 479.247,594 7.021,595 4549.42,596 1,597 1,599 1,600 199.421,601 1.53,602 4.076,603 0.211,604 0.007,605 0.094,606 0.054,607 0.042,608 0.022,609 0.022,610 0.018,611 0.012,612 0.012,613 0.494,614 0.67,615 1,616 1.872,617 76.631,618 -0.04,619 -0.109,620 0.038,621 -0.049,622 -0.082,623 0.002,624 0.323,625 0.176,626 0.11,627 0.103,628 0.186,629 0.082,630 -0.014,631 -0.174,632 0.018,633 -0.14,634 0.034,635 -0.065,636 -0.224,637 -0.042,638 -0.117,639 -0.029,640 -0.163,641 -0.053,642 -0.041,643 -0.084,644 0.018,645 -0.055,646 -0.024,647 -0.017,648 -0.382,649 0.089,650 -0.192,651 0.148,652 -0.313,653 0.018,654 0.182,655 -0.106,656 0.004,657 -0.155,658 0.163,659 -0.117,660 -0.282,661 0.01,662 -0.371,663 -0.08,664 -0.271,665 -0.218,666 1.983,667 4.757,668 0.5,669 12,670 0.995,671 1.136,672 2.118,673 4.488,674 0.626,675 2.996,676 3.296,677 3.526,678 3.714,679 3.829,680 3.807,681 3.932,682 3.989,683 3.738,684 3.555,685 4.87,686 0.585,687 248.36,688 2.996,689 4.511,690 5.342,691 6.205,692 7.059,693 7.926,694 8.79,695 9.66,696 10.529,697 11.402,698 5.3,699 1,705 1,715 3,720 3,722 6,737 1,741 38,743 7,744 1,745 19,747 39,748 14,749 6,750 3,751 3,756 2,757 3,763 1,767 3,770 4,772 7,773 7,777 1,782 1,786 1,790 1,793 20,794 4,795 2,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,851 1,859 1,864 2,868 18,869 1,876 4,878 1,880 1,881 1,893 5.3,896 1,898 1,901 10,902 7.2,903 4.083,904 2.468,907 1.29,908 1.211,909 0.933,910 4.122,911 7.403,912 3.178,913 3.676,914 4.147,915 4.609,916 5.059,917 5.177,918 5.45,919 5.603,920 5.292,921 5.048,922 1,923 25,924 6.676,926 2.748,927 0.026,929 7.75,931 12.886,933 10.391,936 2.25,937 40.5,938 0.002,941 211.88,942 73.737,943 36.022,945 36.145,948 73.737,949 248.025,950 36.022,951 17.222,952 45.731,953 28.429,954 25.145,955 22.614,956 6.763,957 211.88,959 211.88,960 109.758,961 36.145,964 164.795,965 83.229,968 54.556,969 55.202,972 211.88,973 72.166,974 73.737,977 211.88,978 28.086,979 48.775,981 69.042,982 211.88,983 72.166,984 73.737,986 0.576,987 0.338,988 0.17,989 0.084,990 12,991 6,992 0.103,993 4,994 1,995 1.222,996 3.007,997 121.812,998 0.222,999 9,1000 75.059,1005 13.217,1006 5.613,1007 2.98,1009 72.166,1010 5.74,1015 2.96,1017 32.897,1018 357.783,1019 23,1024 11.757,1028 -0.316,1031 37.811,1032 43.152,1034 0.279,1035 0.628,1036 0.858,1037 0.902,1038 0.902,1039 0.902,1040 4.413,1041 0.664,1042 5.333,1043 1.666,1044 3.97,1045 4.357,1046 2.372,1047 6.125,1048 3.897,1049 5.584,1050 -0.145,1051 6.891,1052 1.236,1053 3.611,1054 4.182,1055 1.847,1056 7.002,1057 3.489,1058 6.875,1059 -0.589,1060 8.548,1061 -0.35,1062 5.549,1063 6.417,1064 3.532,1065 10.067,1066 5.404,1067 8.2,1068 -0.687,1069 10.26,1070 -0.903,1071 5.994,1072 7.031,1073 3.656,1074 11.757,1075 5.814,1076 9.559,1077 -0.858,1078 12.007,1079 -1.688,1080 7.422,1081 8.8,1082 4.956,1083 14.335,1084 7.225,1085 10.939,1086 -1.19,1087 13.778,1088 -2.591,1089 8.227,1090 9.77,1091 5.37,1092 16.369,1093 8.01,1094 12.335,1095 -1.378,1096 15.566,1097 -3.033,1098 9.455,1099 11.347,1100 6.458,1101 18.773,1102 9.226,1103 3.074,1104 -1.664,1105 17.367,1106 -3.273,1107 10.422,1108 12.498,1109 7.028,1110 20.96,1111 10.183,1112 2.742,1113 10.131,1114 19.179,1115 -4.413,1116 11.572,1117 13.984,1118 7.994,1119 23.3,1120 11.324,1121 2.254,1122 8.171,1123 20.999,1124 3.976,1125 12.614,1126 15.234,1127 8.654,1128 25.556,1129 12.361,1130 1.854,1131 6.544,1132 22.825,1133 3.16,1134 13.734,1135 16.672,1136 9.549,1137 27.874,1138 13.476,1139 1.434,1140 5.4,1141 24.658,1142 2.768,1143 14.811,1144 17.977,1145 10.263,1146 30.16,1147 14.549,1148 1.219,1149 3.449,1150 26.495,1151 2.229,1152 15.922,1153 19.39,1154 11.116,1155 32.472,1156 15.656,1157 0.799,1158 3.104,1159 28.336,1160 1.6,1161 17.016,1162 20.727,1163 11.862,1164 34.772,1165 16.747,1166 2721,1167 4155,1168 12.137,1169 23.773,1170 28.245,1171 29.209,1172 29.749,1173 28.143,1174 28.083,1175 33.665,1176 7.029,1177 79.401,1178 27.075,1179 5.262,1180 5.775,1181 6.267,1182 5.139,1183 5.074,1184 6.976,1185 3.912,1186 16.656,1187 5.042,1188 10.071,1189 1.487,1190 1.537,1191 1.566,1192 1.481,1193 1.478,1194 1.772,1195 0.37,1196 4.179,1197 1.425,1198 4.026,1199 4.054,1200 3.965,1201 3.958,1202 7.433,1203 3.955,1204 3.723,1205 3.789,1206 3.618,1207 3.514,1208 5.035,1209 3.521,1210 3.492,1211 3.542,1212 3.36,1213 3.338,1214 4.742,1215 3.335,1216 3.336,1217 3.416,1218 3.169,1219 3.104,1220 4.277,1221 3.113,1222 3.07,1223 3.162,1224 2.898,1225 2.879,1226 4.131,1227 2.872,1228 2.933,1229 2.983,1230 2.738,1231 2.62,1232 3.884,1233 2.646,1234 2.745,1235 2.87,1236 2.506,1237 2.487,1238 3.706,1239 2.457,1240 2.714,1241 2.809,1242 2.389,1243 2.461,1244 3.51,1245 2.447,1246 0.23,1247 0.199,1248 0.342,1249 0.214,1250 0.162,1251 4.371,1252 0.209,1253 3.775,1254 0.116,1255 6.498,1256 0.533,1257 4.063,1258 0.16,1259 3.074,1260 3.976,1261 2.208,1262 10.131,1263 3.042,1264 1.891,1265 1.874,1266 1.986,1267 1.987,1268 1.183,1269 1.984,1270 1.669,1271 1.597,1272 1.934,1273 1.887,1274 1.172,1275 1.903,1276 1.579,1277 1.513,1278 1.827,1279 1.77,1280 1.142,1281 1.794,1282 1.326,1283 1.256,1284 1.646,1285 1.606,1286 0.716,1287 1.622,1288 1.097,1289 1.037,1290 1.356,1291 1.359,1292 0.469,1293 1.363,1294 0.852,1295 0.793,1296 1.288,1297 1.176,1298 0.423,1299 1.198,1300 0.799,1301 0.691,1302 1.093,1303 1.089,1304 0.162,1305 1.1,1306 0.682,1307 0.622,1308 0.979,1309 0.964,1311 0.995,1312 3.664,1314 4.963,1315 2.398,1316 6.45,1317 4.727,1318 8.025,1319 6.804,1320 9.647,1322 3.767,1326 6.003,1328 3.604,1330 5.334,1332 0.076,1333 1.577,1340 22.214,1341 55.68,1342 125.308,1343 171.157,1344 179.911,1345 179.911,1346 179.911,1347 30.585,1348 6.114,1349 55.56,1350 55.56,1351 11,1352 11.944,1353 3,1354 2.322,1355 31.094,1356 52,1357 56,1358 0.301,1359 140.148,1360 244.16,1361 333.721,1362 2864,1364 13.121,1365 0.729,1366 0.61,1367 13.121,1368 10.979,1369 8.613,1370 0.453,1371 0.338,1372 6.342,1373 8.285,1374 6.134,1375 5.157,1376 8.613,1377 6.428,1378 7.637,1379 0.294,1380 0.184,1381 7.637,1382 4.795,1383 6.301,1384 0.191,1385 0.101,1386 6.301,1387 3.317,1388 4.817,1389 0.12,1390 0.057,1391 4.817,1392 2.281,1393 3.547,1394 0.079,1395 0.028,1396 3.547,1397 1.279,1398 0.465,1399 54.022,1400 0.287,1401 18.102,1402 0.842,1403 90,1404 252.428,1405 99.862,1406 240.614,1407 325.43,1408 224,1409 104,1410 239.008,1411 113.311,1412 240.913,1413 351.68,1414 225,1415 5.137}
{0 CHEMBL542266,1 1.465,2 7.278,3 2.433,4 5.918,5 71.784,6 6.536,7 0.316,8 3.708,9 3.84,10 3.165,11 3.167,12 4.725,13 3.134,14 4.284,15 4.506,16 3.515,17 3.56,18 5.262,19 3.506,20 4.444,21 4.631,22 3.538,23 3.724,24 5.424,25 3.629,26 4.654,27 4.912,28 3.401,29 3.697,30 5.578,31 3.57,32 4.449,33 4.707,34 3.24,35 3.545,36 5.332,37 3.398,38 4.305,39 4.566,40 3.061,41 3.363,42 5.186,43 3.223,44 4.177,45 4.439,46 2.896,47 3.169,48 5.083,49 3.029,50 3.935,51 4.194,52 2.704,53 2.966,54 4.92,55 2.84,56 0.015,57 0.535,58 9.051,59 3.429,60 6.227,61 4.989,62 0.384,63 0.832,64 17.084,65 5.27,66 25.717,67 8.069,68 0.1,69 0.958,70 19.401,71 7.365,72 20.818,73 10.444,74 0.361,75 0.991,76 24.952,77 7.865,78 47.988,79 11.529,80 0.216,81 0.853,82 19.848,83 6.772,84 25.747,85 10.08,86 0.183,87 0.711,88 17.282,89 5.69,90 25.497,91 8.436,92 0.278,93 0.603,94 15.497,95 4.727,96 23.848,97 7.015,98 0.152,99 0.501,100 12.014,101 3.411,102 24.676,103 5.383,104 32,105 27,106 0.27,107 0.536,108 0.697,109 0.778,110 0.778,111 0.778,112 2.961,113 0.974,114 -3.35,115 -3.33,116 -3.19,121 36.8,123 2,126 4,129 1,144 3,145 2,146 1,161 1,176 6,179 3,180 4,187 8,192 5,200 6,206 6,214 1,218 1,219 7,232 2,243 2,244 4,281 320,282 11.569,283 11.569,284 11.569,285 11.569,286 11.569,287 10.739,288 17.478,289 6.645,290 11.894,291 9.33,292 9.33,293 9.33,294 9.33,295 9.33,296 7.937,297 22.107,298 3.114,299 9.811,300 3.783,301 2.342,302 1.468,303 1.027,304 1.027,305 1.027,306 3.607,310 1,311 1,312 1,313 266,314 3.464,317 39.597,318 44.334,321 70.33,325 1.167,326 13.52,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 39,338 131,339 4.405,340 3.764,341 6.673,342 4.129,343 3.148,344 3.988,345 2.208,346 10.732,347 3.091,348 3.924,349 3.431,350 5.816,351 3.634,352 2.709,353 3.153,354 0.916,355 7.887,356 2.486,357 3.58,358 2.703,359 5.552,360 3.314,361 2.366,362 2.783,363 0.655,364 6.964,365 2.238,366 3.32,367 2.456,368 5.16,369 3.036,370 2.085,371 2.462,372 0.172,373 6.162,374 1.978,375 2.752,376 1.977,377 4.357,378 2.407,379 1.429,380 1.829,381 0.13,382 3.865,383 1.395,384 2.328,385 1.71,386 3.687,387 2.108,388 1.148,389 1.25,391 2.701,392 1.096,393 2.157,394 1.214,395 3.517,396 1.97,397 1,398 1.117,400 2.34,401 0.955,402 1.756,403 0.863,404 3.162,405 1.521,406 0.537,407 0.63,409 1.304,410 0.527,411 1.113,412 0.564,413 2.534,414 0.749,415 -0.216,416 -0.266,418 -0.556,419 -0.204,420 0.582,421 -0.285,422 2.188,423 0.142,424 -0.857,425 -1,427 -2,428 -0.844,429 0.48,430 -0.6,431 2,432 0.106,433 -0.88,434 -1,436 -2,437 -0.866,439 -0.6,440 1.856,441 -0.1,442 -1,443 -1.067,445 -2.181,446 -0.9,448 -0.774,449 1.583,450 -0.1,451 -1,452 -1.163,454 -2.677,455 -0.9,456 -0.202,457 -0.811,458 1.349,459 -0.396,460 -1.368,461 -1.572,463 -3.967,464 -1.318,465 -0.292,466 -1.117,467 1.05,468 -0.51,469 -1.478,470 -1.806,471 -0.4,472 -4.455,473 -1.438,474 8.467,475 0.47,476 0.6,477 0.033,478 19.75,479 1.097,480 8,481 0.444,482 11.75,483 0.653,484 14.521,485 0.807,486 20.933,487 0.551,488 13.762,489 0.765,490 4.027,491 0.224,492 4.459,493 0.248,494 0.276,496 0.39,501 0.775,502 1.694,503 0.895,504 1.386,505 0.6,506 1.187,507 0.791,508 0.66,509 0.836,510 0.644,511 0.423,512 0.702,513 0.931,514 1.407,515 1.101,516 1.423,517 0.713,518 1.31,519 1.46,520 0.883,521 1.059,522 0.873,523 1.479,524 0.913,525 0.814,526 1.116,527 0.993,528 1.147,529 0.881,530 1.108,531 1.09,532 1.059,533 1.001,534 1.059,535 0.941,536 1.029,537 1.278,538 0.957,539 1.079,540 0.985,541 1.27,542 1.015,543 1.302,544 1.158,545 1.132,546 1.044,547 1.847,548 1.055,549 4.5,551 2.444,552 1.257,553 1.098,554 0.483,555 0.39,556 0.306,557 0.161,559 2436,560 5682,561 1.931,562 52.6,563 2,564 16,569 2,572 1.588,573 1.742,574 2.912,575 -0.763,577 1,578 1,579 1,582 55.68,583 1.465,584 2.906,585 3.78,586 4.221,587 4.221,588 4.221,589 2.261,590 3.308,591 4.141,592 3.027,593 463.068,594 7.036,595 4355.3,596 1,597 1,599 1,600 199.421,601 1.572,602 4.056,603 0.237,605 0.091,606 0.048,607 0.05,608 0.027,609 0.026,610 0.025,611 0.016,613 0.52,614 0.83,615 1,616 1.561,617 75.8,618 0.014,619 -0.389,620 0.071,621 -0.189,622 -0.033,623 -0.074,624 0.24,625 0.511,626 0.174,627 0.35,628 0.219,629 0.279,630 -0.041,631 -0.289,632 -0.144,633 -0.302,634 0.039,635 -0.246,636 -0.188,637 0.035,638 -0.052,639 0.085,640 -0.137,641 0.04,642 0.048,643 -0.142,644 -0.04,645 -0.148,646 -0.001,647 -0.114,648 -0.07,649 -0.123,650 -0.028,651 -0.081,652 -0.071,653 -0.054,654 -0.002,655 -0.04,656 -0.068,657 -0.055,658 -0.098,659 -0.081,660 -0.161,661 -0.177,662 -0.13,663 -0.121,664 -0.082,665 -0.122,666 2.005,667 4.521,668 0.5,669 11.778,670 0.995,671 1.136,672 2.118,673 4.488,674 0.626,675 2.996,676 3.332,677 3.555,678 3.761,679 3.932,680 3.989,681 4.043,682 4.143,683 3.892,684 3.611,685 4.612,686 0.585,687 248.36,688 2.996,689 4.533,690 5.371,691 6.248,692 7.114,693 7.996,694 8.872,695 9.757,696 10.639,697 11.526,698 5.3,701 1,705 1,715 3,720 3,722 6,737 1,741 38,743 7,744 1,745 19,747 39,748 14,749 6,750 3,751 3,756 2,757 3,767 3,770 3,772 7,773 7,777 1,782 1,786 1,790 1,793 20,794 4,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,855 1,859 1,864 4,868 18,876 2,878 1,880 1,881 2,893 5.3,896 1,898 1,901 10.333,902 8.067,903 3.944,904 2.174,907 1.313,908 1.212,909 0.919,910 3.808,911 7.495,912 3.178,913 3.701,914 4.163,915 4.638,916 5.121,917 5.299,918 5.556,919 5.785,920 5.466,921 5.27,922 0.8,923 26,924 6.655,926 2.697,927 0.026,929 7.694,931 12.874,933 10.249,936 2.194,937 39.5,938 0.002,941 235.422,942 85.46,943 6.249,945 36.145,948 85.46,949 271.567,950 6.249,951 33.586,952 8.193,953 28.429,954 25.145,955 25.739,956 6.763,957 235.422,959 235.422,960 91.709,961 36.145,964 211.88,965 59.687,968 11.318,969 80.391,972 235.422,973 42.393,974 85.46,977 235.422,978 23.446,979 68.263,981 36.145,982 235.422,983 42.393,984 85.46,986 0.594,987 0.338,988 0.16,989 0.088,990 13,991 7,992 0.077,993 3,994 1,995 1.222,996 2.926,997 124.959,998 0.222,999 9,1000 71.059,1005 13.217,1006 5.186,1007 2.801,1009 42.393,1010 5.934,1015 3.267,1018 363.276,1019 23,1024 11.521,1028 -0.339,1031 37.811,1032 43.152,1034 0.279,1035 0.554,1036 0.72,1037 0.804,1038 0.804,1039 0.804,1040 4.437,1041 0.537,1042 5.389,1043 2.34,1044 4.007,1045 4.382,1046 2.458,1047 6.209,1048 3.918,1049 5.629,1050 -0.216,1051 6.969,1052 1.304,1053 3.761,1054 4.27,1055 1.905,1056 7.163,1057 3.614,1058 6.929,1059 -0.857,1060 8.647,1061 -0.556,1062 5.617,1063 6.446,1064 3.555,1065 10.226,1066 5.45,1067 8.261,1068 -0.88,1069 10.378,1070 -2,1071 6.133,1072 7.083,1073 3.668,1074 11.989,1075 5.924,1076 9.624,1077 -1,1078 12.144,1079 -2,1080 7.526,1081 8.828,1082 4.96,1083 14.594,1084 7.302,1085 11.008,1086 -1,1087 13.933,1088 -2.181,1089 8.373,1090 9.805,1091 5.372,1092 16.704,1093 8.122,1094 12.407,1095 -1.368,1096 15.739,1097 -2.677,1098 9.593,1099 11.374,1100 6.459,1101 19.153,1102 9.331,1103 3.148,1104 -1.478,1105 17.56,1106 -3.967,1107 10.592,1108 12.53,1109 7.028,1110 21.415,1111 10.314,1112 2.709,1113 10.732,1114 19.391,1115 -4.455,1116 11.749,1117 14.013,1118 7.994,1119 23.812,1120 11.461,1121 2.366,1122 7.887,1123 21.232,1124 3.988,1125 12.818,1126 15.267,1127 8.654,1128 26.138,1129 12.519,1130 2.085,1131 6.964,1132 23.081,1133 3.153,1134 13.955,1135 16.705,1136 9.549,1137 28.517,1138 13.646,1139 1.429,1140 6.162,1141 24.937,1142 2.783,1143 15.059,1144 18.015,1145 10.263,1146 30.87,1147 14.739,1148 1.148,1149 3.865,1150 26.798,1151 2.462,1152 16.191,1153 19.428,1154 11.116,1155 33.244,1156 15.862,1157 1,1158 2.701,1159 28.665,1160 1.829,1161 17.312,1162 20.77,1163 11.862,1164 35.608,1165 16.972,1166 2576,1167 4024,1168 11.849,1169 23.773,1170 29.077,1171 29.898,1172 30.374,1173 28.914,1174 28.841,1175 34.428,1176 8.163,1177 83.909,1178 27.53,1179 5.277,1180 5.764,1181 6.011,1182 5.189,1183 5.148,1184 6.988,1185 3.912,1186 17.671,1187 5.091,1188 11.267,1189 1.53,1190 1.574,1191 1.599,1192 1.522,1193 1.518,1194 1.812,1195 0.43,1196 4.416,1197 1.449,1198 4.035,1199 4.065,1200 3.974,1201 3.964,1202 7.433,1203 3.962,1204 3.656,1205 3.712,1206 3.574,1207 3.412,1208 4.811,1209 3.434,1210 3.538,1211 3.619,1212 3.404,1213 3.312,1214 4.367,1215 3.33,1216 3.32,1217 3.396,1218 3.139,1219 3.128,1220 4.229,1221 3.118,1222 2.99,1223 3.021,1224 2.84,1225 2.796,1226 4.069,1227 2.786,1228 2.874,1229 3.009,1230 2.716,1231 2.618,1232 3.737,1233 2.653,1234 2.874,1235 3.009,1236 2.499,1237 2.618,1238 3.512,1239 2.57,1240 2.869,1241 2.919,1242 2.499,1243 2.614,1244 3.467,1245 2.57,1246 0.232,1247 0.198,1248 0.351,1249 0.217,1250 0.166,1251 4.405,1252 0.21,1253 3.764,1254 0.116,1255 6.673,1256 0.565,1257 4.129,1258 0.163,1259 3.148,1260 3.988,1261 2.208,1262 10.732,1263 3.091,1264 1.895,1265 1.877,1266 1.989,1267 1.991,1268 1.211,1269 1.989,1270 1.641,1271 1.572,1272 1.881,1273 1.855,1274 1.174,1275 1.866,1276 1.517,1277 1.443,1278 1.783,1279 1.806,1280 0.835,1281 1.802,1282 1.33,1283 1.242,1284 1.656,1285 1.561,1286 0.774,1287 1.598,1288 0.992,1289 0.951,1290 1.417,1291 1.251,1292 0.469,1293 1.308,1294 0.934,1295 0.804,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.934,1301 0.804,1302 1.228,1303 1.239,1304 0.429,1305 1.219,1306 0.834,1307 0.786,1308 1.09,1309 1.069,1310 0.161,1311 1.086,1312 3.664,1314 4.99,1315 2.398,1316 6.497,1317 4.727,1318 8.087,1319 6.843,1320 9.724,1322 7.521,1328 2.23,1330 5.298,1332 0.429,1333 3.639,1340 22.214,1341 55.68,1342 110.425,1343 143.647,1344 160.402,1345 160.402,1346 160.402,1347 26.889,1348 6.182,1349 32.78,1350 32.78,1351 11,1352 12.058,1353 3,1354 2.322,1355 30.961,1356 51,1357 42,1358 0.323,1359 140.148,1360 244.16,1361 333.721,1362 3021,1364 13.284,1365 0.738,1366 0.635,1367 13.284,1368 11.435,1369 8.486,1370 0.447,1371 0.325,1372 6.054,1373 8.072,1374 5.731,1375 4.863,1376 8.486,1377 6.172,1378 8.045,1379 0.298,1380 0.19,1381 8.045,1382 5.141,1383 6.277,1384 0.185,1385 0.099,1386 6.277,1387 3.357,1388 4.702,1389 0.112,1390 0.056,1391 4.702,1392 2.351,1393 3.661,1394 0.073,1395 0.03,1396 3.661,1397 1.503,1398 0.49,1399 53.798,1400 0.291,1401 17.847,1402 0.931,1403 92,1404 264.761,1405 102.25,1406 251.631,1407 337.99,1408 234,1409 107,1410 244.782,1411 117.31,1412 251.55,1413 362.68,1414 230,1415 5.668}
{0 CHEMBL542297,1 1.363,2 13.185,3 4.258,4 18.13,5 109.326,6 6.695,7 0.533,8 4.061,9 4.193,10 3.549,11 3.637,12 5.034,13 3.585,14 4.637,15 4.83,16 3.893,17 4.049,18 5.538,19 3.967,20 4.931,21 5.169,22 3.875,23 4.188,24 5.79,25 4.058,26 5.008,27 5.282,28 3.719,29 4.145,30 5.785,31 3.972,32 4.896,33 5.178,34 3.663,35 4.035,36 5.704,37 3.87,38 4.809,39 5.069,40 3.609,41 3.977,42 5.675,43 3.822,44 4.725,45 4.983,46 3.471,47 3.898,48 5.568,49 3.729,50 4.644,51 4.917,52 3.342,53 3.794,54 5.398,55 3.614,56 0.05,57 0.776,58 12.273,59 5.181,60 6.905,61 7.296,62 0.162,63 1.311,64 22.769,65 8.811,66 15.637,67 12.699,68 0.252,69 1.627,70 31.441,71 11.64,72 33.292,73 16.905,74 0.267,75 1.634,76 34.449,77 13.103,78 37.076,79 18.922,80 0.279,81 1.447,82 30.876,83 11.789,84 36.284,85 17.053,86 0.281,87 1.334,88 28.231,89 10.766,90 36.083,91 15.33,92 0.268,93 1.23,94 25.902,95 9.958,96 36.543,97 14.19,98 0.176,99 1.14,100 23.775,101 9.162,102 25.524,103 13.27,104 5,105 41,106 0.225,107 0.554,108 0.747,109 0.825,110 0.833,111 0.833,112 3.339,113 0.993,114 -4.73,115 -4.65,116 -4.37,121 42.6,122 1,123 4,124 1,127 3,144 8,145 2,148 1,154 1,159 1,163 1,176 13,180 7,183 1,185 2,187 13,192 8,197 2,200 9,206 6,211 1,214 8,218 1,219 5,227 12,232 1,235 1,237 1,239 12,243 1,244 3,249 1,251 10,256 4,261 1,264 6,269 2,274 2,277 5,281 1128,282 18.463,283 18.463,284 18.463,285 18.463,286 18.463,287 16.459,288 16.293,289 11.038,290 18.672,291 14.848,292 14.848,293 14.848,294 14.848,295 14.848,296 11.825,297 17.324,298 5.327,299 15.175,300 4.392,301 2.404,302 1.241,303 0.769,304 0.718,305 0.718,306 4.04,311 1,312 1,313 786,314 3.082,317 72.127,318 274.102,321 125.205,325 2.118,326 17.873,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 56.5,338 356,339 4.499,340 3.605,341 6.302,342 4.012,343 3.036,344 4.441,345 1.277,346 9.635,347 2.979,348 4.017,349 3.018,350 5.934,351 3.71,352 2.737,353 3.462,354 0.916,355 8.298,356 2.675,357 3.94,358 2.999,359 5.616,360 3.644,361 2.653,362 3.456,363 0.172,364 7.785,365 2.606,366 3.6,367 2.557,368 5.329,369 3.452,370 2.454,371 2.655,373 6.94,374 2.448,375 3.33,376 2.244,377 4.955,378 3.034,379 2.079,380 2.594,382 5.869,383 1.975,384 3.168,385 2.211,386 4.806,387 2.889,388 1.925,389 2.284,391 5.311,392 1.848,393 3.022,394 1.774,395 4.448,396 2.495,397 1.527,398 2.235,400 4.381,401 1.476,402 2.845,403 1.52,404 4.142,405 2.434,406 1.436,407 1.951,409 3.642,410 1.43,411 2.782,412 1.517,413 3.592,414 2.373,415 1.367,416 1.825,418 3.038,419 1.371,420 2.5,421 1.089,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2,430 1.077,431 3.247,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.913,439 1,440 3.19,441 1.618,442 0.609,443 0.72,445 1.432,446 0.611,447 1.743,448 0.456,449 3.071,450 1.331,451 0.366,452 0.509,454 0.947,455 0.352,456 1.216,457 0.363,458 2.766,459 1.027,460 0.04,461 0.045,463 0.099,464 0.039,465 0.886,466 -0.087,467 2.394,468 0.495,469 -0.493,470 -0.57,472 -1.167,473 -0.483,474 13.033,475 0.483,476 0.588,477 0.022,478 32.5,479 1.204,480 15.5,481 0.574,482 17,483 0.63,484 24.078,485 0.892,486 28.967,487 0.536,488 20.991,489 0.777,490 6.085,491 0.225,492 7.084,493 0.262,494 0.064,496 0.299,501 0.742,502 1.295,503 0.883,504 1.093,505 0.562,506 1.012,507 0.862,508 1.167,509 0.967,510 1.062,511 0.558,512 1.023,513 1.169,514 1.068,515 1.12,516 1.071,517 0.973,518 1.082,519 1.036,520 1.005,521 1.017,522 1.036,523 1.123,524 1.031,525 0.854,526 0.887,527 0.883,528 0.929,529 1.01,530 0.915,531 1.161,532 0.951,533 1.028,534 1.02,535 1.515,536 1.021,537 1.16,538 0.984,539 1.105,540 1.059,541 1.522,542 1.085,543 0.933,544 1.051,545 1.034,546 1.069,547 1.082,548 1.068,549 5.5,550 0.131,551 2.444,552 1.417,553 1.142,554 0.67,555 0.453,556 0.267,557 0.168,558 0.148,559 10899,560 23019,561 2.142,562 50,563 3,564 14,567 1,568 5,569 4,572 1.692,573 2.051,574 3.678,575 -0.419,577 1,582 73.585,583 1.363,584 3.351,585 4.514,586 4.986,587 5.037,588 5.037,589 3.134,590 4.385,591 4.727,592 3.847,593 1350.46,594 8.157,595 18475.2,597 1,599 1,600 310.764,601 1.218,602 4.706,603 0.183,604 0.007,605 0.06,606 0.037,607 0.037,608 0.022,609 0.016,610 0.011,611 0.008,612 0.007,613 0.389,614 0.33,615 1,616 0.454,617 137.794,618 0.009,619 -0.11,620 0.062,621 -0.011,622 0.008,623 0.022,624 0.025,625 -0.048,626 0.002,627 -0.045,628 0.062,629 -0.027,630 -0.128,631 -0.033,632 -0.136,633 -0.088,634 -0.017,635 -0.106,636 -0.043,637 -0.072,638 -0.036,639 -0.054,640 -0.026,641 -0.047,642 0.107,643 0.035,644 0.098,645 0.052,646 0.063,647 0.072,648 0.023,649 -0.01,650 -0.037,651 -0.032,652 -0.063,653 -0.039,654 -0.022,655 -0.042,656 -0.119,657 -0.068,658 -0.121,659 -0.1,660 -0.045,661 -0.116,662 -0.063,663 -0.081,664 -0.108,665 -0.078,666 1.427,667 5.595,668 0.778,669 28.848,670 0.986,671 1.124,672 3.503,673 12.274,674 0.659,675 3.434,676 3.738,677 3.97,678 4.205,679 4.407,680 4.382,681 4.5,682 4.585,683 4.5,684 4.533,685 7.645,686 0.613,687 361.53,688 3.434,689 4.963,690 5.796,691 6.655,692 7.503,693 8.364,694 9.218,695 10.081,696 10.938,697 11.802,698 5.6,701 1,706 1,708 1,714 2,715 8,716 1,717 1,720 3,722 16,727 1,741 54,743 17,744 2,745 30,747 57,748 23,749 13,750 4,751 8,752 1,756 4,757 5,763 1,767 2,768 1,770 4,772 14,773 9,774 1,777 1,782 1,786 1,790 1,793 27,794 3,795 1,796 4,799 1,802 3,808 0.75,809 1,828 1,829 3,832 1,855 1,859 3,864 1,868 27,876 7,880 1,881 1,893 1.9,896 1,901 13.167,902 9.817,903 5.889,904 3.497,907 2.798,908 1.374,909 0.999,910 5.471,911 10.279,912 3.689,913 4.259,914 4.805,915 5.366,916 5.852,917 6.048,918 6.426,919 6.706,920 6.411,921 6.406,922 0.889,923 38,924 10.042,926 4.257,927 0.026,929 7.512,931 19.888,933 16.819,936 2.012,937 54.333,939 1,940 1,941 306.049,942 119.211,943 36.695,945 25.145,948 119.211,949 331.194,950 36.695,951 8.825,952 16.455,953 75.81,954 49.392,955 28.425,956 2.144,957 306.049,959 306.049,960 155.907,961 25.145,964 258.964,965 72.229,968 49.662,969 89.459,970 16.786,972 306.049,973 61.84,974 119.211,977 306.049,978 34.576,979 87.759,980 16.786,981 41.93,982 306.049,983 61.84,984 119.211,986 0.578,987 0.328,988 0.174,989 0.097,990 20,991 8,992 0.105,993 6,994 1,995 1.095,996 4.129,997 220.162,998 0.095,999 21,1000 120.382,1005 18.095,1006 8.163,1007 4.524,1008 1.877,1009 45.055,1010 16.479,1011 4.436,1012 3.203,1015 3.058,1017 16.786,1018 487.1,1019 39,1024 12.595,1028 0.24,1031 53.236,1032 60.687,1034 0.237,1035 0.582,1036 0.784,1037 0.866,1038 0.875,1039 0.875,1040 4.913,1041 1.436,1042 5.759,1043 4.381,1044 4.419,1045 4.945,1046 1.752,1047 6.509,1048 4.379,1049 6.091,1050 1.367,1051 7.276,1052 3.642,1053 3.892,1054 4.663,1055 0.325,1056 7.235,1057 3.834,1058 7.375,1059 1,1060 8.885,1061 3.038,1062 5.958,1063 7.104,1064 1.986,1065 10.295,1066 5.878,1067 8.691,1068 1,1069 10.549,1070 2.275,1071 6.236,1072 7.691,1073 0.393,1074 11.843,1075 6.14,1076 10.041,1077 0.609,1078 12.246,1079 2.136,1080 7.752,1081 9.598,1082 2.341,1083 14.386,1084 7.636,1085 11.413,1086 0.366,1087 13.968,1088 1.432,1089 8.42,1090 10.625,1091 0.384,1092 16.299,1093 8.288,1094 12.805,1095 0.04,1096 15.708,1097 0.947,1098 9.692,1099 12.297,1100 2.756,1101 18.648,1102 9.541,1103 3.036,1104 -0.493,1105 17.461,1106 0.099,1107 10.56,1108 13.555,1109 0.351,1110 20.735,1111 10.391,1112 2.737,1113 9.635,1114 19.225,1115 -1.167,1116 11.72,1117 15.119,1118 3.203,1119 23.011,1120 11.533,1121 2.653,1122 8.298,1123 20.998,1124 4.441,1125 12.692,1126 16.493,1127 0.312,1128 25.18,1129 12.485,1130 2.454,1131 7.785,1132 22.778,1133 3.462,1134 13.804,1135 18.011,1136 3.667,1137 27.433,1138 13.579,1139 2.079,1140 6.94,1141 24.565,1142 3.456,1143 14.83,1144 19.443,1145 0.273,1146 29.643,1147 14.585,1148 1.925,1149 5.869,1150 26.357,1151 2.655,1152 15.923,1153 20.942,1154 4.143,1155 31.89,1156 15.659,1157 1.527,1158 5.311,1159 28.153,1160 2.594,1161 16.978,1162 22.403,1163 0.236,1164 34.122,1165 16.694,1166 10105,1167 14813,1168 20.572,1169 35.608,1170 44.917,1171 45.594,1172 45.094,1173 44.471,1174 44.454,1175 57.357,1176 4.733,1177 123.571,1178 43.586,1179 5.499,1180 5.605,1181 6.104,1182 5.047,1183 5.036,1184 7.441,1185 2.555,1186 16.036,1187 4.979,1188 9.639,1189 1.497,1190 1.52,1191 1.503,1192 1.482,1193 1.482,1194 1.912,1195 0.158,1196 4.119,1197 1.453,1198 4.116,1199 4.156,1200 4.079,1201 4.002,1202 7.427,1203 4.015,1204 3.955,1205 4.004,1206 3.867,1207 3.867,1208 5.054,1209 3.862,1210 3.83,1211 3.875,1212 3.721,1213 3.728,1214 4.756,1215 3.719,1216 3.619,1217 3.663,1218 3.541,1219 3.452,1220 4.329,1221 3.467,1222 3.382,1223 3.454,1224 3.241,1225 3.223,1226 4.293,1227 3.218,1228 3.185,1229 3.251,1230 3.041,1231 3.027,1232 3.901,1233 3.019,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.834,1239 2.91,1240 2.97,1241 3.052,1242 2.802,1243 2.809,1244 3.674,1245 2.799,1246 0.15,1247 0.12,1248 0.21,1249 0.134,1250 0.101,1251 4.499,1252 0.148,1253 3.605,1254 0.043,1255 6.302,1256 0.321,1257 4.012,1258 0.099,1259 3.036,1260 4.441,1261 1.277,1262 9.635,1263 2.979,1264 1.953,1265 1.927,1266 2.106,1267 2.075,1268 1.485,1269 2.088,1270 1.925,1271 1.892,1272 2.031,1273 2.026,1274 1.184,1275 2.027,1276 1.831,1277 1.782,1278 1.992,1279 1.946,1280 1.132,1281 1.967,1282 1.543,1283 1.476,1284 1.757,1285 1.782,1286 0.984,1287 1.774,1288 1.476,1289 1.415,1290 1.715,1291 1.677,1292 0.825,1293 1.692,1294 1.203,1295 1.145,1296 1.513,1297 1.41,1298 0.793,1299 1.429,1300 1.153,1301 1.064,1302 1.458,1303 1.376,1304 0.684,1305 1.426,1306 0.986,1307 0.925,1308 1.25,1309 1.209,1310 0.429,1311 1.234,1312 4.111,1314 5.416,1315 2.398,1316 6.905,1317 4.727,1318 8.472,1319 6.804,1320 10.079,1322 1.936,1328 7.317,1332 0.664,1333 2.529,1340 33.101,1341 73.585,1342 180.95,1343 243.744,1344 269.254,1345 272.009,1346 272.009,1347 41.176,1348 7.481,1349 48.99,1350 48.99,1351 23,1352 12.351,1353 4.17,1354 3.322,1355 40.646,1356 126,1357 113,1358 0.155,1359 202.781,1360 344.99,1361 486.545,1362 20297,1364 18.64,1365 0.69,1366 0.591,1367 18.64,1368 15.949,1369 13.17,1370 0.439,1371 0.331,1372 9.853,1373 12.867,1374 9.586,1375 7.946,1376 13.17,1377 9.931,1378 11.851,1379 0.289,1380 0.188,1381 11.851,1382 7.721,1383 9.783,1384 0.188,1385 0.109,1386 9.783,1387 5.659,1388 7.993,1389 0.121,1390 0.062,1391 7.993,1392 4.061,1393 6.525,1394 0.081,1395 0.037,1396 6.525,1397 2.972,1398 0.254,1399 81.025,1400 0.22,1401 26.745,1402 0.397,1403 142,1404 329.359,1405 150.348,1406 327.114,1407 453.63,1408 308,1409 164,1410 335.819,1411 172.682,1412 344.39,1413 499.26,1414 325,1415 7.921}
{0 CHEMBL542467,1 1.422,2 20.564,3 7.357,4 54.128,5 153.131,6 6.892,7 0.429,8 4.411,9 4.526,10 3.906,11 3.933,12 5.453,13 3.901,14 4.97,15 5.15,16 4.22,17 4.306,18 5.991,19 4.245,20 5.235,21 5.452,22 4.282,23 4.439,24 6.183,25 4.351,26 5.293,27 5.533,28 4.219,29 4.409,30 6.276,31 4.304,32 5.221,33 5.461,34 4.091,35 4.384,36 6.122,37 4.256,38 5.225,39 5.486,40 4.005,41 4.357,42 6.055,43 4.2,44 5.205,45 5.473,46 3.872,47 4.28,48 5.981,49 4.112,50 5.111,51 5.379,52 3.806,53 4.196,54 5.884,55 4.033,56 0.027,57 1.029,58 17.125,59 7.649,60 9.405,61 10.032,62 0.416,63 1.66,64 32.203,65 12.401,66 41.153,67 16.842,68 0.358,69 2.002,70 43.24,71 16.37,72 50.986,73 22.185,74 0.719,75 2.053,76 47.204,77 16.578,78 86.118,79 22.928,80 0.49,81 1.973,82 43.119,83 15.899,84 62.825,85 22.161,86 0.438,87 1.972,88 43.275,89 16.347,90 59.45,91 23.274,92 0.543,93 1.882,94 43.194,95 15.597,96 58.411,97 22.089,98 0.38,99 1.721,100 39.05,101 14.264,102 48.148,103 20.289,104 20,105 55,106 0.219,107 0.496,108 0.684,109 0.821,110 0.885,111 0.904,112 3.692,113 0.985,114 -4.91,115 -4.82,116 -4.52,121 41.6,123 7,126 2,127 3,144 11,145 3,146 4,159 1,161 1,176 16,179 1,180 13,183 2,187 17,192 12,200 11,205 2,206 13,211 2,214 12,218 1,219 6,224 2,227 14,231 1,232 6,237 1,239 13,243 1,244 6,247 1,251 10,256 6,264 11,269 4,274 1,277 13,281 3386,282 26.698,283 26.698,284 26.698,285 26.698,286 26.698,287 24.315,288 28.551,289 16.437,290 27.219,291 20.743,292 20.743,293 20.743,294 20.743,295 20.743,296 16.999,297 35.777,298 7.87,299 21.52,300 4.845,301 3.039,302 1.818,303 0.922,304 0.507,305 0.383,306 4.39,312 1,313 1726,314 4.796,318 507.709,322 384.944,325 3.056,326 34.186,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 84,338 802,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 2.186,346 11.061,347 3.18,348 4.105,349 3.66,350 6.011,351 3.723,352 2.761,353 3.688,354 0.916,355 8.529,356 2.661,357 4.048,358 2.995,359 5.681,360 3.613,361 2.642,362 3.676,363 0.86,364 7.996,365 2.563,366 3.672,367 2.984,368 5.407,369 3.38,370 2.451,371 2.964,372 0.86,373 6.913,374 2.261,375 3.617,376 2.82,377 5.29,378 3.232,379 2.271,380 2.886,381 0.366,382 6.815,383 2.172,384 3.378,385 2.632,386 5.124,387 3.124,388 2.168,389 2.515,390 0.172,391 6.04,392 2.056,393 3.309,394 2.495,395 4.862,396 2.96,397 2.017,398 2.504,400 5.594,401 1.9,402 3.09,403 2.172,404 4.585,405 2.879,406 1.889,407 2.175,409 4.814,410 1.845,411 2.909,412 1.906,413 4.125,414 2.758,415 1.783,416 2.082,418 3.795,419 1.729,420 2.88,421 1.716,422 3.906,423 2.554,424 1.575,425 1.89,427 3.384,428 1.537,429 2.715,430 1.617,431 3.72,432 2.429,433 1.438,434 1.81,436 3.252,437 1.421,438 2.667,439 1.378,440 3.653,441 2.244,442 1.259,443 1.733,445 3.07,446 1.237,447 2.598,448 1.344,449 3.497,450 2.2,451 1.215,452 1.603,454 2.63,455 1.195,456 2.428,457 1.298,458 3.487,459 2.136,460 1.158,461 1.315,463 2.457,464 1.128,465 2.203,466 1.26,467 3.311,468 1.887,469 0.866,470 1.171,472 2.036,473 0.877,474 18.467,475 0.474,476 0.729,477 0.019,478 46.75,479 1.199,480 22.5,481 0.577,482 24.25,483 0.622,484 37.163,485 0.953,486 43.333,487 0.563,488 36.27,489 0.93,490 9.029,491 0.232,492 10.001,493 0.256,494 0.09,496 0.265,501 0.77,502 1.328,503 0.853,504 1.199,505 0.577,506 1.06,507 0.85,508 1.026,509 0.944,510 1.038,511 0.534,512 0.999,513 1.071,514 1.056,515 0.928,516 1.045,517 0.772,518 0.979,519 1.096,520 0.931,521 0.941,522 0.911,523 1.036,524 0.904,525 0.979,526 0.994,527 1.031,528 1.001,529 1.043,530 1.021,531 0.654,532 1.051,533 0.951,534 1.065,535 0.575,536 1.055,537 0.901,538 0.917,539 1.033,540 0.976,541 0.723,542 1.019,543 0.859,544 1.02,545 0.997,546 1.023,547 0.71,548 1.032,549 6.5,550 0.132,551 2.889,552 2.375,553 1.853,554 0.868,555 0.604,556 0.361,557 0.23,558 0.162,559 33712,560 85277,561 2.067,562 49.4,563 10,564 23,567 1,569 4,572 1.781,573 1.966,574 4.264,575 -0.434,582 109.512,583 1.422,584 3.228,585 4.449,586 5.345,587 5.76,588 5.884,589 3.708,590 4.978,591 5.263,592 4.499,593 3333.97,594 9.198,595 68302,600 482.543,601 1.252,602 5.231,603 0.155,604 0.005,605 0.053,606 0.042,607 0.036,608 0.019,609 0.015,610 0.01,611 0.007,612 0.005,613 0.345,614 0.17,615 0.75,616 0.879,617 231.152,618 -0.005,619 -0.13,620 0.057,621 -0.07,622 -0.004,623 -0.008,624 0.109,625 0.09,626 0.021,627 -0.005,628 0.139,629 -0.001,630 -0.04,631 -0.06,632 0.056,633 -0.032,634 0.054,635 0.019,636 0.041,637 0.035,638 0.069,639 0.062,640 0.086,641 0.069,642 -0.058,643 -0.001,644 -0.054,645 -0.009,646 -0.057,647 -0.028,648 0.066,649 -0.081,650 0.004,651 -0.071,652 0.058,653 -0.047,654 -0.028,655 0.036,656 -0.053,657 -0.007,658 -0.041,659 -0.032,660 -0.041,661 -0.069,662 -0.025,663 -0.046,664 -0.017,665 -0.036,666 2.122,667 5.664,668 0.513,669 57.499,670 0.997,671 1.124,672 3.679,673 13.538,674 0.649,675 3.761,676 4.025,677 4.248,678 4.489,679 4.71,680 4.779,681 4.868,682 4.977,683 5.004,684 4.905,685 12.031,686 0.612,687 530.72,688 3.761,689 5.273,690 6.094,691 6.944,692 7.785,693 8.649,694 9.502,695 10.375,696 11.237,697 12.117,698 2.6,701 1,705 1,715 11,720 7,722 18,727 1,737 1,739 2,741 77,743 20,744 3,745 42,747 80,748 32,749 18,750 7,751 11,752 1,756 4,757 7,770 7,772 20,773 12,777 2,782 2,786 2,793 38,794 7,795 1,796 7,802 2,808 0.5,809 5,829 4,833 2,855 1,859 2,864 2,868 39,876 10,877 1,878 3,881 1,893 6.5,896 2,898 3,901 19.833,902 14.2,903 8.861,904 4.963,907 3.381,908 1.409,909 0.956,910 10.958,911 11.643,912 3.989,913 4.494,914 4.999,915 5.535,916 6.053,917 6.264,918 6.588,919 6.937,920 7.197,921 7.354,922 1,923 57,924 14.473,926 5.981,927 0.026,929 7.679,931 28.028,933 22.527,936 2.179,937 85,941 435.531,942 190.003,943 21.135,945 83.29,948 190.003,949 518.82,950 21.135,951 16.793,952 44.556,953 104.239,954 55.423,955 66.654,956 6.763,957 435.531,959 435.531,960 211.138,961 83.29,964 388.446,965 130.374,968 47.681,969 163.458,972 435.531,973 104.425,974 190.003,977 435.531,978 68.972,979 124.156,980 18.011,981 83.29,982 435.531,983 104.425,984 190.003,986 0.561,987 0.317,988 0.17,989 0.093,990 22,991 10,992 0.188,993 15,994 2,995 1.2,996 5.27,997 338.096,998 0.2,999 20,1000 198.131,1005 28.817,1006 14.83,1007 8.657,1009 104.425,1010 20.435,1015 4.753,1017 18.011,1018 729.959,1019 53,1024 24.059,1028 -0.465,1031 76.745,1032 86.517,1034 0.227,1035 0.515,1036 0.71,1037 0.853,1038 0.919,1039 0.939,1040 5.201,1041 1.889,1042 6.038,1043 5.594,1044 4.71,1045 5.182,1046 2.639,1047 6.783,1048 4.641,1049 6.357,1050 1.783,1051 7.549,1052 4.814,1053 4.111,1054 4.832,1055 1.847,1056 7.551,1057 4.007,1058 7.629,1059 1.575,1060 9.163,1061 3.795,1062 6.229,1063 7.261,1064 3.582,1065 10.673,1066 6.098,1067 8.935,1068 1.438,1069 10.842,1070 3.384,1071 6.479,1072 7.753,1073 3.603,1074 12.333,1075 6.327,1076 10.278,1077 1.259,1078 12.565,1079 3.252,1080 8.023,1081 9.651,1082 4.922,1083 14.975,1084 7.852,1085 11.646,1086 1.215,1087 14.321,1088 3.07,1089 8.71,1090 10.56,1091 5.291,1092 17.035,1093 8.533,1094 13.036,1095 1.158,1096 16.102,1097 2.63,1098 10.008,1099 12.219,1100 6.39,1101 19.516,1102 9.816,1103 3.215,1104 0.866,1105 17.902,1106 2.457,1107 10.925,1108 13.35,1109 6.93,1110 21.76,1111 10.733,1112 2.761,1113 11.061,1114 19.72,1115 2.036,1116 12.119,1117 14.89,1118 7.902,1119 24.185,1120 11.919,1121 2.642,1122 8.529,1123 21.551,1124 4.198,1125 13.154,1126 16.144,1127 8.539,1128 26.514,1129 12.954,1130 2.451,1131 7.996,1132 23.393,1133 3.688,1134 14.312,1135 17.622,1136 9.436,1137 28.922,1138 14.106,1139 2.271,1140 6.913,1141 25.246,1142 3.676,1143 15.406,1144 18.946,1145 10.13,1146 31.289,1147 15.199,1148 2.168,1149 6.815,1150 27.107,1151 2.964,1152 16.554,1153 20.392,1154 10.981,1155 33.692,1156 16.342,1157 2.017,1158 6.04,1159 28.976,1160 2.886,1161 17.679,1162 21.757,1163 11.71,1164 36.077,1165 17.463,1166 31901,1167 51012,1168 28.315,1169 49.989,1170 60.374,1171 62.973,1172 62.216,1173 60.06,1174 60.028,1175 75.182,1176 10.723,1177 161.88,1178 57.988,1179 5.524,1180 5.692,1181 6.699,1182 5.3,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.18,1188 18.414,1189 1.437,1190 1.499,1191 1.481,1192 1.43,1193 1.429,1194 1.79,1195 0.255,1196 3.854,1197 1.381,1198 4.05,1199 4.059,1200 4.015,1201 3.966,1202 7.435,1203 3.976,1204 3.942,1205 3.973,1206 3.879,1207 3.858,1208 7.427,1209 3.858,1210 3.804,1211 3.856,1212 3.718,1213 3.715,1214 4.947,1215 3.711,1216 3.764,1217 3.797,1218 3.633,1219 3.668,1220 4.814,1221 3.65,1222 3.648,1223 3.714,1224 3.508,1225 3.491,1226 4.708,1227 3.48,1228 3.534,1229 3.595,1230 3.434,1231 3.289,1232 4.378,1233 3.295,1234 3.463,1235 3.54,1236 3.308,1237 3.206,1238 4.329,1239 3.242,1240 3.277,1241 3.338,1242 3.17,1243 3.095,1244 4.245,1245 3.105,1246 0.108,1247 0.088,1248 0.161,1249 0.1,1250 0.077,1251 4.553,1252 0.1,1253 3.692,1254 0.052,1255 6.774,1256 0.263,1257 4.203,1258 0.076,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.067,1267 2.084,1268 1.419,1269 2.074,1270 1.912,1271 1.885,1272 2.054,1273 2.028,1274 1.269,1275 2.036,1276 1.808,1277 1.762,1278 2.019,1279 1.959,1280 1.168,1281 1.986,1282 1.767,1283 1.73,1284 1.918,1285 1.877,1286 1.154,1287 1.89,1288 1.648,1289 1.583,1290 1.872,1291 1.823,1292 1.006,1293 1.841,1294 1.465,1295 1.393,1296 1.741,1297 1.738,1298 0.966,1299 1.729,1300 1.397,1301 1.324,1302 1.689,1303 1.675,1304 0.794,1305 1.695,1306 1.261,1307 1.193,1308 1.588,1309 1.494,1310 0.681,1311 1.528,1312 4.443,1314 5.72,1316 7.191,1318 8.763,1320 10.398,1322 3.671,1328 10.727,1329 2.461,1330 17.057,1333 2.302,1340 47.099,1341 109.512,1342 248.572,1343 342.557,1344 411.549,1345 443.523,1346 453.033,1347 83.003,1348 8.263,1349 81.01,1350 81.01,1351 24,1352 12.658,1353 4.392,1354 3.585,1355 71.561,1356 294,1357 246,1358 0.113,1359 289.52,1360 516.93,1361 698.189,1362 65654,1364 27.451,1365 0.704,1366 0.587,1367 27.451,1368 22.91,1369 19.029,1370 0.453,1371 0.328,1372 13.609,1373 18.325,1374 13.271,1375 11.102,1376 19.029,1377 13.788,1378 16.301,1379 0.296,1380 0.181,1381 16.301,1382 9.933,1383 13.193,1384 0.191,1385 0.098,1386 13.193,1387 6.768,1388 10.777,1389 0.122,1390 0.053,1391 10.777,1392 4.685,1393 8.56,1394 0.078,1395 0.029,1396 8.56,1397 3.183,1398 0.195,1399 119.126,1400 0.188,1401 37.219,1402 0.271,1403 194,1404 570.656,1405 213.743,1406 539.146,1407 732.27,1408 506,1409 221,1410 533.442,1411 240.112,1412 535.736,1413 781.51,1414 503,1415 7.932}
{0 CHEMBL542497,1 1.234,2 7.5,3 3.836,4 14.716,5 83.634,6 6.61,7 0.478,8 3.775,9 3.907,10 3.266,11 3.408,12 4.726,13 3.347,14 4.355,15 4.534,16 3.668,17 3.871,18 5.202,19 3.781,20 4.688,21 4.909,22 3.793,23 4.063,24 5.506,25 3.944,26 4.764,27 5.017,28 3.699,29 4.021,30 5.597,31 3.878,32 4.705,33 4.974,34 3.453,35 3.908,36 5.495,37 3.739,38 4.585,39 4.879,40 3.184,41 3.742,42 5.248,43 3.53,44 4.354,45 4.659,46 2.846,47 3.451,48 5.066,49 3.229,50 4.02,51 4.346,52 2.286,53 3.044,54 4.679,55 2.787,56 0.048,57 0.562,58 9.223,59 3.95,60 7.508,61 5.59,62 0.075,63 0.969,64 16.819,65 7.323,66 10.374,67 10.396,68 0.133,69 1.325,70 24.04,71 9.784,72 18.139,73 14.139,74 0.196,75 1.415,76 26.429,77 10.155,78 27.819,79 14.868,80 0.197,81 1.314,82 25.153,83 9.24,84 27.425,85 13.673,86 0.116,87 1.093,88 22.095,89 9.26,90 17.027,91 13.389,92 0.117,93 0.871,94 17.709,95 6.925,96 19.301,97 10.16,98 0.091,99 0.608,100 12.744,101 4.894,102 14.264,103 7.216,104 6,105 34,106 0.219,107 0.615,108 0.793,109 0.871,110 0.88,111 0.88,112 3.061,113 0.995,114 -4.61,115 -4.53,116 -4.26,121 45,122 1,123 4,124 2,137 1,138 1,144 4,145 2,146 1,148 2,165 1,166 1,167 1,176 14,180 4,185 2,187 19,189 2,192 4,197 2,200 15,203 2,206 4,208 1,209 1,211 5,214 14,216 5,219 1,224 3,227 13,229 3,232 1,237 2,239 12,241 2,244 1,249 1,251 9,253 1,264 5,277 3,281 394,282 13.834,283 13.834,284 13.834,285 13.834,286 13.834,287 12.287,288 14.66,289 7.957,290 13.899,291 11.327,292 11.327,293 11.327,294 11.327,295 11.327,296 8.911,297 17.573,298 3.737,299 11.451,300 4.087,301 1.862,302 0.857,303 0.419,304 0.369,305 0.369,306 3.763,310 1,311 1,312 1,313 336,314 2.236,318 122.068,320 39.904,322 100.408,324 59.448,325 1.15,326 10.741,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 41,338 150,339 4.666,340 3.521,341 6.938,342 4.285,343 3.298,344 4.568,345 0.68,346 11.68,347 3.253,348 4.125,349 3.006,350 6.219,351 3.812,352 2.818,353 3.573,354 0.68,355 9.23,356 2.8,357 3.758,358 2.674,359 5.586,360 3.393,361 2.398,362 3.074,364 7.526,365 2.386,366 3.51,367 2.464,368 5.378,369 3.196,370 2.216,371 2.868,373 6.818,374 2.173,375 3.118,376 2.007,377 4.98,378 2.865,379 1.887,380 2.198,382 5.641,383 1.842,384 2.975,385 1.963,386 4.871,387 2.751,388 1.76,389 2.118,391 5.241,392 1.743,393 2.812,394 1.423,395 3.911,396 2.396,397 1.403,398 1.87,400 3.075,401 1.392,402 2.402,403 1.09,404 3.647,405 1.991,406 1.003,407 1.367,409 2.603,410 0.989,411 1.576,412 0.642,413 3.233,414 1.436,415 0.436,416 0.46,418 0.641,419 0.436,420 1.357,421 0.504,422 2.951,423 1.129,424 0.14,425 0.158,427 0.409,428 0.138,429 1.305,430 0.121,431 2.814,432 0.95,438 0.841,439 -0.368,440 2.542,441 0.518,442 -0.468,443 -0.552,445 -1.267,446 -0.46,447 0.575,448 -0.603,449 2.403,450 0.256,451 -0.74,452 -0.853,454 -1.842,455 -0.737,456 0.412,457 -0.643,458 2,459 0.119,460 -0.865,461 -1.043,463 -2.12,464 -0.849,465 0.277,466 -0.842,467 1.972,468 0.053,469 -0.941,470 -1.238,472 -2.718,473 -0.935,474 9.8,475 0.49,476 0.5,477 0.025,478 23.75,479 1.188,480 11.5,481 0.575,482 12.25,483 0.613,484 18.199,485 0.91,486 20.8,487 0.52,488 13.601,489 0.68,490 3.988,491 0.199,492 5.77,493 0.289,494 0.092,496 0.408,501 1.045,502 1.005,503 0.909,504 0.928,505 1.159,506 0.913,507 0.681,508 1.102,509 0.881,510 1.02,511 0.604,512 0.973,513 0.96,514 1.144,515 0.969,516 1.051,517 0.817,518 1.018,519 1.139,520 1.125,521 1.024,522 1.049,523 1.027,524 1.033,525 1.688,526 0.967,527 1.193,528 0.997,529 1.618,530 1.052,531 0.639,532 0.974,533 0.96,534 1.026,535 0.8,536 1.016,537 1.1,538 0.923,539 1.049,540 0.981,541 1.165,542 1.007,543 1.231,544 0.799,545 1.076,546 0.919,547 1.275,548 0.976,549 4,550 0.012,551 1.778,552 2,553 1.471,554 0.771,555 0.323,556 0.158,557 0.057,558 0.026,559 3549,560 6379,561 2.195,562 50,563 11,564 5,567 2,568 2,572 1.623,573 2.069,574 2.896,575 0.213,577 1,579 1,582 49.38,583 1.234,584 3.46,585 4.465,586 4.903,587 4.953,588 4.953,589 2.409,590 3.309,591 4.295,592 2.948,593 560.125,594 7.365,595 5354.36,597 1,598 1,599 1,600 212.877,601 1.361,602 4.262,603 0.174,604 0.012,605 0.052,606 0.054,607 0.046,608 0.032,609 0.018,610 0.013,611 0.01,612 0.009,613 0.42,614 0.83,615 1,616 0.764,617 85.361,618 -0.066,619 0.118,620 0.056,621 0.107,622 -0.098,623 0.092,624 0.087,625 -0.062,626 0.076,627 0.01,628 0.099,629 0.036,630 0.036,631 -0.124,632 0.004,633 -0.061,634 0.053,635 -0.036,636 0.087,637 -0.111,638 -0.035,639 -0.093,640 0.131,641 -0.075,642 -0.297,643 0.055,644 -0.196,645 -0.061,646 -0.255,647 -0.111,648 0.042,649 -0.071,650 -0.001,651 -0.041,652 -0.012,653 -0.027,654 -0.104,655 0.008,656 -0.071,657 -0.028,658 -0.085,659 -0.044,660 -0.193,661 0.117,662 -0.094,663 0.022,664 -0.213,665 -0.02,666 0.843,667 2.493,668 0.85,669 11.67,670 0.979,671 1.118,672 3.376,673 11.397,674 0.672,675 3.178,676 3.555,677 3.912,678 4.277,679 4.595,680 4.771,681 4.956,682 5.118,683 5.204,684 5.198,685 4.333,686 0.62,687 264.4,688 3.178,689 4.745,690 5.638,691 6.558,692 7.468,693 8.396,694 9.311,695 10.243,696 11.161,697 12.094,698 5,702 1,708 1,714 2,715 4,716 1,720 3,722 11,733 1,741 40,743 12,744 1,745 23,747 43,748 18,749 9,750 2,751 4,756 4,757 10,763 1,767 3,768 2,770 4,772 11,773 7,774 2,777 1,784 1,786 1,790 1,793 20,794 2,795 2,796 2,802 2,808 0.25,822 1,829 4,831 1,833 2,835 1,849 1,850 1,859 1,864 1,868 20,869 1,876 4,880 2,901 9.667,902 7.367,903 4.306,904 2.753,907 2.758,908 1.37,909 1.038,910 2.679,911 10.212,912 3.418,913 4.069,914 4.714,915 5.358,916 5.98,917 6.375,918 6.817,919 7.248,920 7.631,921 7.752,922 1,923 37,924 7.438,926 3.271,927 0.026,929 7.383,931 14.966,933 13.411,936 1.883,937 37.667,938 0.003,941 211.88,942 82.946,943 49.683,948 82.946,949 211.88,950 49.683,951 8.825,952 10.138,953 80.278,954 16.786,955 16.602,957 211.88,959 211.88,960 132.629,964 211.88,968 23.864,969 82.503,970 26.262,972 211.88,973 49.683,974 82.946,977 211.88,978 26.74,979 56.206,981 49.683,982 211.88,983 49.683,984 82.946,986 0.589,987 0.362,988 0.212,989 0.122,990 20,991 8,992 0.023,993 1,994 4,995 1.412,996 3.18,997 168.769,998 0.471,999 16,1000 84.439,1005 12.107,1006 4.425,1007 1.827,1008 2.158,1009 49.683,1010 8.257,1011 4.901,1015 3.516,1017 32.897,1018 344.509,1019 29.5,1026 2.46,1028 1.601,1031 39.156,1032 44.733,1034 0.232,1035 0.65,1036 0.839,1037 0.921,1038 0.931,1039 0.931,1040 4.689,1041 1.003,1042 5.645,1043 3.075,1044 4.234,1045 4.754,1046 1.047,1047 6.526,1048 4.211,1049 5.911,1050 0.436,1051 7.241,1052 2.603,1053 3.892,1054 4.663,1056 7.516,1057 3.854,1058 7.244,1059 0.14,1060 8.934,1061 0.641,1062 5.889,1063 7.02,1064 0.618,1065 10.681,1066 5.844,1067 8.611,1069 10.685,1070 0.409,1071 6.347,1072 7.765,1074 12.491,1075 6.286,1076 10.011,1077 -0.468,1078 12.474,1080 7.833,1081 9.618,1082 0.333,1083 15.187,1084 7.765,1085 11.435,1086 -0.74,1087 14.289,1088 -1.267,1089 8.677,1090 10.768,1092 17.361,1093 8.592,1094 12.878,1095 -0.865,1096 16.124,1097 -1.842,1098 9.963,1099 12.418,1100 0.168,1101 19.895,1102 9.868,1103 3.298,1104 -0.941,1105 17.975,1106 -2.12,1107 10.99,1108 13.765,1110 22.228,1111 10.879,1112 2.818,1113 11.68,1114 19.839,1115 -2.718,1116 12.201,1117 15.332,1118 0.081,1119 24.706,1120 12.078,1121 2.398,1122 9.23,1123 21.714,1124 4.568,1125 13.313,1126 16.771,1128 27.107,1129 13.174,1130 2.216,1131 7.526,1132 23.598,1133 3.573,1134 14.499,1135 18.306,1136 0.038,1137 29.567,1138 14.347,1139 1.887,1140 6.818,1141 25.49,1142 3.074,1143 15.65,1144 19.787,1146 31.998,1147 15.482,1148 1.76,1149 5.641,1150 27.388,1151 2.868,1152 16.831,1153 21.31,1154 0.018,1155 34.453,1156 16.649,1157 1.403,1158 5.241,1159 29.291,1160 2.198,1161 18,1162 22.81,1164 36.897,1165 17.803,1166 3360,1167 4592,1168 15.72,1169 26.864,1170 34.993,1171 35.285,1172 36.308,1173 34.768,1174 34.717,1175 44.51,1176 2.72,1177 105.729,1178 34.304,1179 5.618,1180 5.521,1181 6.619,1182 5.326,1183 5.298,1184 7.568,1185 1.36,1186 19.25,1187 5.253,1188 7.431,1189 1.521,1190 1.534,1191 1.579,1192 1.512,1193 1.509,1194 1.935,1195 0.118,1196 4.597,1197 1.491,1198 4.135,1199 4.165,1200 4.092,1201 4.068,1202 5.145,1203 4.07,1204 3.878,1205 3.915,1206 3.791,1207 3.813,1208 4.782,1209 3.803,1210 3.532,1211 3.593,1212 3.407,1213 3.429,1214 4.495,1215 3.416,1216 3.327,1217 3.396,1218 3.187,1219 3.199,1220 4.279,1221 3.188,1222 3.186,1223 3.262,1224 3.038,1225 3.032,1226 3.934,1227 3.02,1228 2.985,1229 3.072,1230 2.834,1231 2.827,1232 3.691,1233 2.821,1234 2.918,1235 3.009,1236 2.7,1237 2.755,1238 3.621,1239 2.73,1240 2.741,1241 2.843,1242 2.536,1243 2.577,1244 3.413,1245 2.556,1246 0.203,1247 0.153,1248 0.302,1249 0.186,1250 0.143,1251 4.666,1252 0.199,1253 3.521,1254 0.03,1255 6.938,1256 0.508,1257 4.285,1258 0.141,1259 3.298,1260 4.568,1261 0.68,1262 11.68,1263 3.253,1264 2.097,1265 2.072,1266 2.193,1267 2.183,1268 1.541,1269 2.187,1270 1.89,1271 1.856,1272 2.028,1273 1.983,1274 1.19,1275 2.002,1276 1.551,1277 1.495,1278 1.814,1279 1.71,1280 1.037,1281 1.749,1282 1.327,1283 1.27,1284 1.53,1285 1.51,1286 0.792,1287 1.523,1288 1.193,1289 1.122,1290 1.467,1291 1.387,1292 0.678,1293 1.416,1294 0.973,1295 0.903,1296 1.314,1297 1.224,1298 0.5,1299 1.256,1300 0.947,1301 0.865,1302 1.212,1303 1.161,1304 0.289,1305 1.192,1306 0.754,1307 0.673,1308 1.107,1309 1.007,1310 0.195,1311 1.048,1312 3.85,1314 5.209,1316 6.795,1318 8.489,1320 10.242,1322 2.26,1326 6.493,1328 4.767,1332 1.255,1340 24.784,1341 49.38,1342 138.407,1343 178.612,1344 196.122,1345 198.122,1346 198.122,1347 24.167,1348 7.454,1349 38.91,1350 38.91,1351 24,1352 12.596,1353 3.7,1354 2.907,1355 26.008,1356 53,1357 56,1358 0.259,1359 149.883,1360 254.88,1361 357.475,1362 15667,1364 13.69,1365 0.684,1366 0.595,1367 13.69,1368 11.894,1369 9.758,1370 0.424,1371 0.332,1372 7.6,1373 9.664,1374 7.381,1375 6.101,1376 9.758,1377 7.625,1378 8.984,1379 0.264,1380 0.182,1381 8.984,1382 6.198,1383 8.097,1384 0.165,1385 0.101,1386 8.097,1387 4.933,1388 7.434,1389 0.105,1390 0.056,1391 7.434,1392 4.001,1393 6.338,1394 0.065,1395 0.032,1396 6.338,1397 3.13,1398 0.382,1399 59.247,1400 0.252,1401 19.153,1402 0.79,1403 114,1404 214.957,1405 117.081,1406 221.696,1407 322.56,1408 210,1409 140,1410 253.662,1411 143.497,1412 262.504,1413 391.2,1414 250,1415 7.114}
{0 CHEMBL542543,1 1.421,2 13.185,3 4.826,4 23.292,5 113.524,6 7.143,7 0.533,8 4.039,9 4.157,10 3.629,11 3.683,12 5.002,13 3.604,14 4.615,15 4.797,16 4.01,17 4.099,18 5.501,19 3.988,20 4.898,21 5.124,22 3.939,23 4.221,24 5.747,25 4.064,26 4.969,27 5.233,28 3.788,29 4.162,30 5.748,31 3.975,32 4.874,33 5.147,34 3.749,35 4.056,36 5.657,37 3.88,38 4.799,39 5.053,40 3.653,41 4.003,42 5.67,43 3.83,44 4.703,45 4.956,46 3.518,47 3.923,48 5.527,49 3.734,50 4.615,51 4.877,52 3.444,53 3.833,54 5.368,55 3.629,56 0.042,57 0.726,58 12.133,59 5.464,60 6.218,61 7.268,62 0.145,63 1.281,64 23.925,65 9.368,66 13.717,67 12.654,68 0.226,69 1.615,70 34.285,71 13.129,72 30.239,73 17.222,74 0.251,75 1.641,76 35.386,77 13.863,78 34.59,79 18.724,80 0.241,81 1.479,82 33.152,83 12.726,84 28.58,85 17.172,86 0.272,87 1.369,88 30.3,89 11.801,90 37.383,91 15.708,92 0.244,93 1.251,94 27.571,95 10.883,96 32.738,97 14.519,98 0.165,99 1.155,100 25.301,101 10.048,102 24.821,103 13.432,104 5,105 41,106 0.236,107 0.544,108 0.741,109 0.821,110 0.83,111 0.83,112 3.339,113 1.066,114 -4.73,115 -4.64,116 -4.36,121 43.4,122 1,123 4,124 1,127 3,144 8,145 2,148 1,154 1,159 1,163 1,176 13,180 8,187 15,192 8,200 11,206 6,214 9,219 5,227 13,231 1,232 1,239 13,243 1,244 3,251 11,256 3,264 8,269 4,277 5,281 1128,282 18.463,283 18.463,284 18.463,285 18.463,286 18.463,287 16.459,288 16.293,289 11.038,290 18.819,291 14.848,292 14.848,293 14.848,294 14.848,295 14.848,296 11.825,297 17.324,298 5.327,299 15.426,300 4.307,301 2.449,302 1.265,303 0.783,304 0.731,305 0.731,306 4.04,311 1,312 1,313 786,314 3.082,317 72.127,318 274.102,321 125.205,325 2.118,326 16.689,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 56,338 356,339 4.499,340 3.605,341 6.302,342 3.988,343 3.036,344 4.441,345 1.277,346 9.635,347 2.933,348 4.017,349 3.018,350 5.934,351 3.704,352 2.737,353 3.462,354 0.916,355 8.298,356 2.643,357 3.94,358 2.999,359 5.616,360 3.632,361 2.653,362 3.456,363 0.172,364 7.785,365 2.568,366 3.6,367 2.557,368 5.329,369 3.451,370 2.454,371 2.655,373 6.94,374 2.442,375 3.33,376 2.244,377 4.955,378 3.032,379 2.079,380 2.594,382 5.869,383 1.971,384 3.168,385 2.211,386 4.806,387 2.85,388 1.925,389 2.284,391 5.311,392 1.752,393 3.022,394 1.774,395 4.448,396 2.466,397 1.527,398 2.235,400 4.381,401 1.439,402 2.845,403 1.52,404 4.142,405 2.426,406 1.436,407 1.951,409 3.642,410 1.4,411 2.782,412 1.517,413 3.592,414 2.368,415 1.367,416 1.825,418 3.038,419 1.355,420 2.5,421 1.089,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2,430 1.077,431 3.247,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.913,439 1,440 3.19,441 1.616,442 0.609,443 0.72,445 1.432,446 0.607,447 1.743,448 0.456,449 3.071,450 1.288,451 0.366,452 0.509,454 0.947,455 0.331,456 1.216,457 0.363,458 2.766,459 1.025,460 0.04,461 0.045,463 0.099,464 0.039,465 0.886,466 -0.087,467 2.394,468 0.49,469 -0.493,470 -0.57,472 -1.167,473 -0.467,474 13.467,475 0.499,476 0.588,477 0.022,478 32,479 1.185,480 15.5,481 0.574,482 16.5,483 0.611,484 25.492,485 0.944,486 28.533,487 0.538,488 19.576,489 0.725,490 5.753,491 0.213,492 7.417,493 0.275,494 0.062,496 0.29,501 0.647,502 1.168,503 0.799,504 0.966,505 0.537,506 0.966,507 0.885,508 1.089,509 0.881,510 0.951,511 0.568,512 0.962,513 1.128,514 1.077,515 1.148,516 1.103,517 0.945,518 1.079,519 1.108,520 0.975,521 0.895,522 0.938,523 1.163,524 1.013,525 0.928,526 0.895,527 0.787,528 0.886,529 1.068,530 0.902,531 1.191,532 0.947,533 0.946,534 0.965,535 1.478,536 1.004,537 1.053,538 0.989,539 1.006,540 1.017,541 1.337,542 1.071,543 0.961,544 1.007,545 0.956,546 0.99,547 1.105,548 1.051,549 5.5,550 0.131,551 2.444,552 1.417,553 1.142,554 0.67,555 0.453,556 0.267,557 0.168,558 0.148,559 10899,560 24173,561 2.142,562 49.1,563 3,564 14,568 5,569 4,572 1.692,573 2.051,574 3.678,575 -0.843,582 75.326,583 1.421,584 3.279,585 4.463,586 4.945,587 4.997,588 4.997,589 3.134,590 4.385,591 4.727,592 3.847,593 1350.46,594 8.157,595 18475.2,597 1,600 303.58,601 1.218,602 4.706,603 0.183,604 0.007,605 0.06,606 0.037,607 0.037,608 0.022,609 0.016,610 0.011,611 0.008,612 0.007,613 0.389,614 0.33,615 1,616 0.454,617 137.794,618 0.035,619 -0.077,620 0.081,621 0.025,622 0.016,623 0.029,624 -0.006,625 -0.009,626 0.072,627 0.028,628 0.044,629 0.011,630 -0.105,631 -0.058,632 -0.136,633 -0.105,634 0.005,635 -0.103,636 -0.057,637 -0.039,638 -0.018,639 -0.021,640 -0.037,641 -0.044,642 0.068,643 0.03,644 0.108,645 0.042,646 0.007,647 0.075,648 0.037,649 -0.014,650 -0.039,651 -0.032,652 -0.023,653 -0.035,654 0.018,655 -0.054,656 -0.093,657 -0.071,658 -0.083,659 -0.093,660 -0.056,661 -0.071,662 -0.03,663 -0.034,664 -0.119,665 -0.067,666 1.394,667 5.617,668 0.778,669 28.848,670 0.985,671 1.115,672 3.499,673 12.245,674 0.684,675 3.434,676 3.738,677 3.97,678 4.205,679 4.407,680 4.382,681 4.5,682 4.585,683 4.5,684 4.533,685 7.645,686 0.628,687 378.58,688 3.434,689 4.963,690 5.796,691 6.655,692 7.503,693 8.364,694 9.218,695 10.081,696 10.938,697 11.802,698 3.8,701 1,708 1,714 2,715 8,716 1,719 1,720 3,722 16,727 1,741 53,743 17,744 2,745 30,747 56,748 23,749 13,750 4,751 8,752 1,756 4,757 5,763 1,767 2,768 1,770 4,772 14,773 9,774 1,777 1,782 1,786 1,793 26,794 3,796 4,797 1,802 2,808 0.75,809 1,828 1,829 3,832 1,855 1,859 3,862 1,864 1,868 27,876 7,880 1,881 1,887 1,893 1.9,896 1,901 13.167,902 9.733,903 5.889,904 3.456,907 2.798,908 1.374,909 0.997,910 5.755,911 10.279,912 3.689,913 4.259,914 4.805,915 5.366,916 5.852,917 6.048,918 6.426,919 6.706,920 6.411,921 6.406,922 0.889,923 38,924 10.052,926 4.261,927 0.026,929 7.488,931 19.994,933 16.984,936 1.988,937 53.667,939 1,940 1,941 306.049,942 147.692,943 19.91,945 25.145,947 31.278,948 116.415,949 331.194,950 19.91,951 8.825,952 16.455,953 75.81,954 47.994,955 11.64,956 0.746,957 337.326,959 306.049,960 136.324,961 25.145,962 31.278,964 258.964,965 72.229,968 31.478,969 88.06,970 16.786,971 31.278,972 306.049,973 45.055,974 147.692,977 306.049,978 63.057,979 87.759,981 41.93,982 306.049,983 45.055,984 147.692,986 0.578,987 0.328,988 0.174,989 0.097,990 20,991 8,992 0.107,993 6,994 1,995 1.095,996 4.129,997 220.162,998 0.095,999 21,1000 120.382,1001 1,1005 18.466,1006 8.414,1007 4.691,1008 2.118,1009 45.055,1010 16.626,1011 4.473,1014 1.662,1015 3.282,1018 498.796,1019 39,1024 12.617,1028 0.273,1031 52.211,1032 59.108,1034 0.248,1035 0.572,1036 0.779,1037 0.863,1038 0.872,1039 0.872,1040 4.913,1041 1.436,1042 5.759,1043 4.381,1044 4.419,1045 4.945,1046 1.752,1047 6.509,1048 4.351,1049 6.091,1050 1.367,1051 7.276,1052 3.642,1053 3.892,1054 4.663,1055 0.325,1056 7.235,1057 3.783,1058 7.375,1059 1,1060 8.885,1061 3.038,1062 5.958,1063 7.104,1064 1.986,1065 10.295,1066 5.827,1067 8.691,1068 1,1069 10.549,1070 2.275,1071 6.236,1072 7.691,1073 0.393,1074 11.843,1075 6.063,1076 10.041,1077 0.609,1078 12.246,1079 2.136,1080 7.752,1081 9.598,1082 2.341,1083 14.386,1084 7.562,1085 11.413,1086 0.366,1087 13.968,1088 1.432,1089 8.42,1090 10.625,1091 0.384,1092 16.299,1093 8.186,1094 12.805,1095 0.04,1096 15.708,1097 0.947,1098 9.692,1099 12.297,1100 2.756,1101 18.648,1102 9.44,1103 3.036,1104 -0.493,1105 17.461,1106 0.099,1107 10.56,1108 13.555,1109 0.351,1110 20.735,1111 10.263,1112 2.737,1113 9.635,1114 19.225,1115 -1.167,1116 11.72,1117 15.119,1118 3.203,1119 23.011,1120 11.401,1121 2.653,1122 8.298,1123 20.998,1124 4.441,1125 12.692,1126 16.493,1127 0.312,1128 25.18,1129 12.329,1130 2.454,1131 7.785,1132 22.778,1133 3.462,1134 13.804,1135 18.011,1136 3.667,1137 27.433,1138 13.415,1139 2.079,1140 6.94,1141 24.565,1142 3.456,1143 14.83,1144 19.443,1145 0.273,1146 29.643,1147 14.399,1148 1.925,1149 5.869,1150 26.357,1151 2.655,1152 15.923,1153 20.942,1154 4.143,1155 31.89,1156 15.462,1157 1.527,1158 5.311,1159 28.153,1160 2.594,1161 16.978,1162 22.403,1163 0.236,1164 34.122,1165 16.477,1166 10105,1167 15212,1168 20.572,1169 36.25,1170 44.917,1171 45.594,1172 45.094,1173 44.498,1174 44.454,1175 57.357,1176 4.733,1177 123.571,1178 42.923,1179 5.499,1180 5.605,1181 6.104,1182 5.081,1183 5.036,1184 7.441,1185 2.555,1186 16.036,1187 4.933,1188 9.639,1189 1.497,1190 1.52,1191 1.503,1192 1.483,1193 1.482,1194 1.912,1195 0.158,1196 4.119,1197 1.431,1198 4.076,1199 4.093,1200 4.321,1201 4.065,1202 7.427,1203 4.023,1204 3.952,1205 3.996,1206 3.871,1207 3.869,1208 4.952,1209 3.862,1210 3.828,1211 3.872,1212 3.736,1213 3.733,1214 4.755,1215 3.719,1216 3.596,1217 3.633,1218 3.609,1219 3.489,1220 4.322,1221 3.467,1222 3.369,1223 3.435,1224 3.29,1225 3.245,1226 4.261,1227 3.221,1228 3.184,1229 3.25,1230 3.068,1231 3.03,1232 3.895,1233 3.021,1234 3.111,1235 3.206,1236 2.877,1237 2.941,1238 3.723,1239 2.91,1240 2.955,1241 3.025,1242 2.866,1243 2.815,1244 3.674,1245 2.792,1246 0.15,1247 0.12,1248 0.21,1249 0.133,1250 0.101,1251 4.499,1252 0.148,1253 3.605,1254 0.043,1255 6.302,1256 0.321,1257 3.988,1258 0.098,1259 3.036,1260 4.441,1261 1.277,1262 9.635,1263 2.933,1264 1.949,1265 1.927,1266 2.105,1267 2.072,1268 1.485,1269 2.087,1270 1.921,1271 1.892,1272 2.024,1273 1.999,1274 1.186,1275 2.009,1276 1.829,1277 1.782,1278 1.973,1279 1.939,1280 1.134,1281 1.959,1282 1.493,1283 1.444,1284 1.721,1285 1.689,1286 0.983,1287 1.701,1288 1.474,1289 1.434,1290 1.667,1291 1.611,1292 0.825,1293 1.663,1294 1.2,1295 1.145,1296 1.513,1297 1.399,1298 0.792,1299 1.429,1300 1.153,1301 1.064,1302 1.455,1303 1.376,1304 0.685,1305 1.42,1306 0.963,1307 0.917,1308 1.209,1309 1.162,1310 0.423,1311 1.179,1312 4.111,1314 5.416,1315 2.398,1316 6.905,1317 4.727,1318 8.472,1319 6.804,1320 10.079,1322 2.01,1328 7.394,1332 0.676,1333 2.535,1340 33.266,1341 75.326,1342 173.766,1343 236.56,1344 262.07,1345 264.825,1346 264.825,1347 41.444,1348 7.481,1349 33.2,1350 61.44,1351 23,1352 12.351,1353 4.17,1354 3.322,1355 40.646,1356 126,1357 113,1358 0.155,1359 207.117,1360 352.5,1361 497.126,1362 20297,1364 18.64,1365 0.69,1366 0.618,1367 18.993,1368 16.673,1369 13.17,1370 0.439,1371 0.355,1372 9.85,1373 12.446,1374 9.496,1375 7.855,1376 13.578,1377 10.655,1378 11.851,1379 0.289,1380 0.215,1381 12.579,1382 8.817,1383 9.783,1384 0.188,1385 0.125,1386 10.469,1387 6.487,1388 7.993,1389 0.121,1390 0.073,1391 8.765,1392 4.834,1393 6.525,1394 0.081,1395 0.043,1396 7.182,1397 3.513,1398 0.254,1399 84.699,1400 0.22,1401 26.745,1402 0.397,1403 142,1404 329.886,1405 174.418,1406 348.03,1407 480.95,1408 328,1409 164,1410 336.309,1411 190.978,1412 360.974,1413 525.41,1414 341,1415 8.167}
{0 CHEMBL542749,1 1.496,2 6.647,3 1.814,4 3.29,5 66.462,6 6.695,7 0.333,8 3.634,9 3.767,10 3.1,11 3.11,12 4.687,13 3.081,14 4.191,15 4.389,16 3.454,17 3.502,18 5.228,19 3.442,20 4.409,21 4.63,22 3.493,23 3.604,24 5.392,25 3.526,26 4.466,27 4.678,28 3.4,29 3.504,30 5.593,31 3.433,32 4.346,33 4.59,34 3.121,35 3.323,36 5.378,37 3.23,38 4.052,39 4.281,40 3.092,41 3.207,42 5.206,43 3.118,44 4.085,45 4.322,46 2.775,47 3.22,48 5.059,49 3.071,50 4.091,51 4.386,52 2.21,53 3.132,54 4.792,55 2.845,56 0.024,57 0.495,58 8.189,59 3.19,60 7.426,61 4.518,62 0.306,63 0.768,64 15.156,65 5.247,66 23.948,67 7.689,68 0.125,69 0.88,70 18.883,71 6.479,72 20.153,73 9.44,74 0.351,75 0.818,76 20.964,77 6.184,78 50.596,79 8.781,80 0.352,81 0.705,82 18.808,83 5.109,84 44.416,85 7.55,86 0.184,87 0.612,88 13.337,89 4.279,90 33.098,91 6.385,92 0.219,93 0.614,94 13.902,95 4.378,96 33.646,97 6.544,98 0.091,99 0.591,100 13.591,101 4.905,102 19.675,103 7.599,104 21,105 25,106 0.281,107 0.633,108 0.844,109 0.87,110 0.87,111 0.87,112 2.909,113 0.989,114 -3.08,115 -3.08,116 -2.97,121 37.1,122 1,123 2,126 1,127 1,129 1,144 3,145 2,146 1,161 1,165 1,166 1,167 1,176 6,179 3,180 3,185 2,187 8,189 2,192 2,197 2,200 4,203 2,206 9,208 1,209 1,211 2,214 3,216 2,219 4,224 1,229 1,232 6,234 2,235 2,239 2,251 2,261 1,264 3,266 1,281 310,282 11.284,283 11.284,284 11.284,285 11.284,286 11.284,287 10.427,288 15.728,289 6.523,290 11.549,291 8.766,292 8.766,293 8.766,294 8.766,295 8.766,296 7.353,297 18.892,298 2.96,299 9.136,300 3.633,301 1.76,302 0.636,303 0.5,304 0.5,305 0.5,306 3.555,311 1,312 1,313 233,314 3.162,317 33.377,318 42.939,321 64.257,325 1.003,326 17.343,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 37,338 113,339 4.468,340 3.786,341 6.772,342 4.152,343 3.172,344 4.086,345 2.208,346 11.067,347 3.113,348 3.893,349 3.395,350 5.887,351 3.627,352 2.695,353 3.079,354 0.655,355 7.994,356 2.49,357 3.331,358 2.436,359 5.185,360 3.034,361 2.084,362 2.549,363 0.522,364 6.137,365 1.975,366 3.157,367 2.182,368 4.928,369 2.891,370 1.906,371 2.323,372 0.13,373 5.35,374 1.875,375 2.57,376 2.128,377 3.963,378 2.262,379 1.298,380 1.568,382 3.02,383 1.235,384 2.485,385 1.27,386 3.774,387 2.154,388 1.161,389 1.428,391 2.802,392 1.148,393 1.905,394 1.106,395 3.327,396 1.771,397 0.782,398 0.851,400 1.851,401 0.77,402 1.234,403 0.617,404 2.676,405 1.133,406 0.176,407 0.18,409 0.244,410 0.167,411 1.184,412 0.372,413 2.322,414 0.798,415 -0.176,416 -0.222,418 -0.415,419 -0.168,420 0.679,421 -0.21,422 2,423 0.396,424 -0.573,425 -0.657,427 -1.355,428 -0.554,429 0.535,430 -0.353,431 2,432 0.087,433 -0.911,434 -1.2,436 -2.331,437 -0.894,438 -0.032,439 -0.864,440 1.723,441 -0.236,442 -1.218,443 -1.374,445 -2.841,446 -1.194,447 -0.199,448 -1.065,449 1.382,450 -0.373,451 -1.307,452 -1.437,454 -3.197,455 -1.223,456 -0.461,457 -1.212,458 1.303,459 -0.63,460 -1.578,461 -1.863,463 -4.351,464 -1.504,465 -0.5,466 -1.338,467 1.091,468 -0.728,469 -1.716,470 -1.908,471 -0.4,472 -4.801,473 -1.629,474 7.967,475 0.469,476 0.456,477 0.027,478 18.75,479 1.103,480 8,481 0.471,482 10.75,483 0.632,484 13.531,485 0.796,486 19.633,487 0.561,488 12.326,489 0.725,490 3.639,491 0.214,492 4.491,493 0.264,494 0.218,496 0.364,501 0.83,502 1.415,503 0.898,504 1.23,505 0.737,506 1.087,507 0.579,508 0.941,509 0.832,510 0.92,511 0.478,512 0.905,513 0.94,514 1.174,515 0.91,516 1.155,517 0.743,518 1.039,519 1.802,520 1.093,521 1.193,522 1.074,523 1.612,524 1.057,525 1.934,526 0.894,527 1.193,528 0.799,529 1.679,530 0.88,531 0.882,532 1.122,533 0.969,534 1.101,535 1.304,536 1.056,537 1.359,538 1.002,539 1.409,540 1.06,541 1.821,542 1.214,543 0.335,544 1.291,545 1.269,546 1.462,547 0.431,548 1.503,549 3.5,551 2.444,552 1.41,553 0.653,554 0.489,555 0.367,556 0.184,557 0.052,559 2041,560 4871,561 1.96,562 51.4,563 2,564 9,567 2,569 5,572 1.573,573 1.789,574 2.76,575 0.411,577 1,578 1,579 1,582 52.361,583 1.496,584 3.369,585 4.493,586 4.629,587 4.629,588 4.629,589 2.133,590 3.617,591 4.061,592 2.87,593 390.351,594 6.885,595 3525.05,597 1,599 1,600 179.525,601 1.549,602 3.989,603 0.194,605 0.098,606 0.056,607 0.031,608 0.031,609 0.023,610 0.017,611 0.013,613 0.463,614 0.83,615 1,616 1.693,617 69.361,618 -0.049,619 -0.116,620 0.038,621 -0.052,622 -0.092,623 0.003,624 0.322,625 0.212,626 0.132,627 0.137,628 0.175,629 0.113,630 -0.014,631 -0.125,632 0.052,633 -0.121,634 0.023,635 -0.031,636 -0.177,637 -0.146,638 -0.139,639 -0.116,640 -0.123,641 -0.126,642 -0.326,643 0.005,644 -0.134,645 0.104,646 -0.221,647 0.022,648 0.096,649 -0.07,650 0.006,651 -0.114,652 0.108,653 -0.08,654 -0.321,655 0.033,656 -0.436,657 -0.085,658 -0.308,659 -0.253,660 -0.015,661 -0.336,662 -0.401,663 -0.47,664 -0.043,665 -0.494,666 2,667 4.713,668 0.529,669 9.398,670 0.998,671 1.135,672 1.855,673 3.44,674 0.629,675 2.944,676 3.258,677 3.526,678 3.738,679 3.829,680 3.85,681 3.871,682 3.829,683 3.526,684 3.258,685 4.244,686 0.591,687 234.33,688 2.944,689 4.466,690 5.313,691 6.188,692 7.057,693 7.941,694 8.817,695 9.704,696 10.584,697 11.474,698 5.7,699 1,705 1,715 3,720 3,722 6,737 1,741 35,743 7,744 1,745 18,747 36,748 13,749 6,750 3,751 3,756 2,757 3,763 1,767 3,770 3,772 7,773 6,777 1,782 1,786 1,790 1,793 18,794 4,795 2,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,851 1,859 1,864 2,868 17,869 1,876 3,878 1,880 1,881 1,893 5.7,896 1,898 1,901 9.5,902 6.7,903 3.861,904 2.225,907 1.342,908 1.223,909 0.936,910 3.574,911 7.363,912 3.135,913 3.651,914 4.155,915 4.634,916 5.04,917 5.167,918 5.335,919 5.489,920 5.212,921 5.03,922 1,923 25,924 6.299,926 2.609,927 0.026,929 7.794,931 12.069,933 9.729,936 2.294,937 39,938 0.002,941 188.338,942 71.202,943 36.022,945 36.145,948 71.202,949 224.482,950 36.022,951 17.222,952 43.196,953 28.429,954 25.145,955 22.614,956 6.763,957 188.338,959 188.338,960 107.224,961 36.145,964 129.482,965 95,968 52.021,969 55.202,972 188.338,973 72.166,974 71.202,977 188.338,978 25.552,979 48.775,981 69.042,982 188.338,983 72.166,984 71.202,986 0.581,987 0.355,988 0.177,989 0.084,990 12,991 6,992 0.083,993 3,994 1,995 1.222,996 2.84,997 115.737,998 0.222,999 9,1000 69.487,1005 12.242,1006 4.963,1007 2.39,1009 72.166,1010 5.764,1015 2.796,1017 32.897,1018 331.706,1019 22,1024 11.713,1028 -0.333,1031 34.927,1032 39.737,1034 0.292,1035 0.657,1036 0.876,1037 0.902,1038 0.902,1039 0.902,1040 4.376,1041 0.176,1042 5.313,1043 1.851,1044 3.932,1045 4.331,1046 2.372,1047 6.142,1048 3.856,1049 5.558,1050 -0.176,1051 6.895,1052 0.244,1053 3.611,1054 4.182,1055 1.847,1056 7.13,1057 3.489,1058 6.859,1059 -0.573,1060 8.579,1061 -0.415,1062 5.541,1063 6.422,1064 3.532,1065 10.23,1066 5.394,1067 8.199,1068 -0.911,1069 10.323,1070 -1.355,1071 6.043,1072 7.089,1073 3.656,1074 12.067,1075 5.86,1076 9.573,1077 -1.218,1078 12.104,1079 -2.331,1080 7.467,1081 8.858,1082 4.956,1083 14.698,1084 7.266,1085 10.972,1086 -1.307,1087 13.912,1088 -2.841,1089 8.33,1090 9.896,1091 5.37,1092 16.876,1093 8.106,1094 12.389,1095 -1.578,1096 15.741,1097 -3.197,1098 9.568,1099 11.478,1100 6.458,1101 19.354,1102 9.329,1103 3.172,1104 -1.716,1105 17.584,1106 -4.351,1107 10.589,1108 12.695,1109 7.028,1110 21.669,1111 10.334,1112 2.695,1113 11.067,1114 19.44,1115 -4.801,1116 11.761,1117 14.192,1118 7.994,1119 24.096,1120 11.493,1121 2.084,1122 7.994,1123 21.305,1124 4.086,1125 12.85,1126 15.5,1127 8.654,1128 26.464,1129 12.568,1130 1.906,1131 6.137,1132 23.178,1133 3.079,1134 14,1135 16.954,1136 9.549,1137 28.874,1138 13.706,1139 1.298,1140 5.35,1141 25.057,1142 2.549,1143 15.119,1144 18.308,1145 10.263,1146 31.263,1147 14.813,1148 1.161,1149 3.02,1150 26.942,1151 2.323,1152 16.264,1153 19.741,1154 11.116,1155 33.668,1156 15.945,1157 0.782,1158 2.802,1159 28.831,1160 1.568,1161 17.398,1162 21.12,1163 11.862,1164 36.066,1165 17.065,1166 2157,1167 3409,1168 11.444,1169 22.012,1170 26.53,1171 27.545,1172 28.783,1173 26.582,1174 26.547,1175 32.125,1176 7.029,1177 76.931,1178 25.544,1179 5.358,1180 5.786,1181 6.316,1182 5.226,1183 5.172,1184 7.086,1185 3.912,1186 17.958,1187 5.113,1188 9.482,1189 1.474,1190 1.53,1191 1.599,1192 1.477,1193 1.475,1194 1.785,1195 0.39,1196 4.274,1197 1.419,1198 4.027,1199 4.054,1200 3.97,1201 3.958,1202 7.433,1203 3.956,1204 3.682,1205 3.749,1206 3.583,1207 3.438,1208 5.037,1209 3.457,1210 3.46,1211 3.523,1212 3.32,1213 3.327,1214 4.729,1215 3.316,1216 3.229,1217 3.294,1218 3.076,1219 2.983,1220 4.287,1221 2.996,1222 3.065,1223 3.161,1224 2.861,1225 2.857,1226 4.105,1227 2.845,1228 2.937,1229 3.012,1230 2.699,1231 2.611,1232 3.87,1233 2.633,1234 2.65,1235 2.728,1236 2.478,1237 2.418,1238 3.734,1239 2.397,1240 2.543,1241 2.613,1242 2.366,1243 2.379,1244 3.239,1245 2.39,1246 0.248,1247 0.21,1248 0.376,1249 0.231,1250 0.176,1251 4.468,1252 0.227,1253 3.786,1254 0.123,1255 6.772,1256 0.615,1257 4.152,1258 0.173,1259 3.172,1260 4.086,1261 2.208,1262 11.067,1263 3.113,1264 1.891,1265 1.874,1266 1.986,1267 1.985,1268 1.175,1269 1.982,1270 1.606,1271 1.534,1272 1.872,1273 1.856,1274 1.143,1275 1.862,1276 1.576,1277 1.507,1278 1.825,1279 1.77,1280 1.037,1281 1.793,1282 1.188,1283 1.107,1284 1.568,1285 1.475,1286 0.623,1287 1.507,1288 1.104,1289 1.034,1290 1.38,1291 1.344,1292 0.491,1293 1.364,1294 0.894,1295 0.857,1296 1.094,1297 1.227,1298 0.143,1299 1.188,1300 0.627,1301 0.575,1302 0.995,1303 0.914,1304 0.105,1305 0.95,1306 0.529,1307 0.383,1308 0.959,1309 0.862,1311 0.895,1312 3.611,1314 4.92,1315 2.398,1316 6.428,1317 4.727,1318 8.028,1319 6.823,1320 9.678,1322 3.619,1326 6.027,1328 2.513,1330 5.387,1332 -0.013,1333 1.528,1340 20.687,1341 52.361,1342 117.909,1343 157.26,1344 162.015,1345 162.015,1346 162.015,1347 28.16,1348 6.021,1349 55.56,1350 55.56,1351 11,1352 12.005,1353 3,1354 2.322,1355 28.302,1356 42,1357 45,1358 0.342,1359 130.556,1360 226.86,1361 310.316,1362 2484,1364 12.414,1365 0.73,1366 0.604,1367 12.414,1368 10.272,1369 8.13,1370 0.452,1371 0.33,1372 5.848,1373 7.798,1374 5.656,1375 4.733,1376 8.13,1377 5.934,1378 7.182,1379 0.287,1380 0.174,1381 7.182,1382 4.356,1383 6.178,1384 0.187,1385 0.098,1386 6.178,1387 3.235,1388 4.735,1389 0.115,1390 0.051,1391 4.735,1392 2.074,1393 3.348,1394 0.074,1395 0.027,1396 3.348,1397 1.222,1398 0.509,1399 51.123,1400 0.296,1401 16.812,1402 1.011,1403 86,1404 248.428,1405 95.862,1406 236.132,1407 320.19,1408 220,1409 101,1410 236.008,1411 110.476,1412 237.174,1413 348.41,1414 222,1415 4.979}
{0 CHEMBL542981,1 1.436,2 9,3 3.961,4 15.693,5 83.341,6 6.661,7 0.273,8 3.821,9 3.951,10 3.284,11 3.322,12 4.874,13 3.283,14 4.381,15 4.584,16 3.6,17 3.691,18 5.375,19 3.619,20 4.608,21 4.835,22 3.664,23 3.813,24 5.538,25 3.721,26 4.694,27 4.921,28 3.655,29 3.796,30 5.701,31 3.716,32 4.628,33 4.849,34 3.553,35 3.757,36 5.657,37 3.66,38 4.564,39 4.801,40 3.499,41 3.682,42 5.652,43 3.584,44 4.426,45 4.654,46 3.288,47 3.633,48 5.452,49 3.501,50 4.437,51 4.702,52 2.983,53 3.558,54 5.304,55 3.356,56 0.03,57 0.595,58 9.868,59 4.004,60 8.79,61 5.594,62 0.342,63 0.943,64 18.332,65 6.358,66 27.147,67 9.322,68 0.149,69 1.106,70 22.967,71 8.226,72 26.375,73 11.867,74 0.407,75 1.109,76 26.116,77 8.207,78 48.746,79 11.556,80 0.299,81 1.055,82 24.103,83 8.021,84 43.306,85 11.257,86 0.366,87 0.986,88 22.757,89 7.483,90 50.981,91 10.575,92 0.208,93 0.916,94 19.238,95 6.855,96 42.123,97 9.852,98 0.175,99 0.9,100 19.379,101 7.012,102 33.118,103 10.398,104 31,105 29,106 0.254,107 0.619,108 0.845,109 0.881,110 0.881,111 0.881,112 3.103,113 1.007,114 -4.01,115 -3.96,116 -3.75,121 39.5,122 1,123 3,126 1,127 2,129 1,142 1,143 1,144 3,145 2,146 1,161 1,176 8,179 3,180 3,185 3,187 8,192 3,197 3,200 4,206 9,209 1,211 2,214 5,219 6,224 1,227 4,232 7,235 2,239 6,244 1,251 7,256 2,261 1,264 6,269 2,274 1,277 3,281 607,282 14.276,283 14.276,284 14.276,285 14.276,286 14.276,287 13.211,288 18.611,289 8.785,290 14.552,291 10.78,292 10.78,293 10.78,294 10.78,295 10.78,296 9.02,297 21.41,298 4.009,299 11.211,300 3.991,301 1.93,302 0.657,303 0.454,304 0.454,305 0.454,306 3.762,310 1,311 1,312 1,313 381,314 3.742,317 44.861,318 56.972,321 85.811,325 1.238,326 18.975,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 45,338 189,339 4.477,340 3.788,341 6.805,342 4.169,343 3.189,344 4.09,345 2.208,346 11.242,347 3.126,348 3.899,349 3.424,350 5.899,351 3.64,352 2.708,353 3.083,354 0.911,355 8.068,356 2.502,357 3.512,358 2.589,359 5.219,360 3.099,361 2.149,362 2.556,363 0.655,364 6.265,365 2.039,366 3.339,367 2.412,368 5.124,369 2.969,370 1.999,371 2.416,372 0.44,373 5.98,374 1.933,375 3.209,376 2.17,377 4.056,378 2.441,379 1.46,380 2.027,381 0.13,382 3.335,383 1.429,384 2.664,385 2.133,386 3.852,387 2.413,388 1.43,389 1.631,391 3.036,392 1.391,393 2.594,394 1.292,395 3.459,396 2.145,397 1.151,398 1.535,400 2.486,401 1.143,402 1.981,403 1.123,404 3.309,405 1.839,406 0.867,407 0.911,409 1.914,410 0.839,411 1.854,412 1.021,413 2.903,414 1.683,415 0.701,416 0.774,418 1.234,419 0.682,420 1.722,421 0.689,422 2.47,423 1.185,424 0.225,425 0.301,427 0.378,428 0.215,429 1.199,430 0.414,431 2.378,432 0.773,433 -0.196,434 -0.253,436 -0.46,437 -0.187,438 0.661,439 -0.256,440 2.169,441 0.37,442 -0.592,443 -0.598,445 -0.907,446 -0.564,447 0.543,448 -0.388,449 2,450 0.272,451 -0.707,452 -0.917,454 -1.483,455 -0.69,456 0.416,457 -0.435,458 1.761,459 0.087,460 -0.911,461 -1.204,463 -2.291,464 -0.895,465 0.144,466 -0.849,467 1.504,468 -0.166,469 -1.157,470 -1.471,472 -2.607,473 -1.144,474 9.967,475 0.475,476 0.418,477 0.02,478 23,479 1.095,480 10,481 0.476,482 13,483 0.619,484 18.009,485 0.858,486 23.633,487 0.55,488 16.193,489 0.771,490 4.502,491 0.214,492 5.666,493 0.27,494 0.184,496 0.291,501 0.803,502 1.446,503 0.901,504 1.235,505 0.627,506 1.099,507 0.682,508 0.994,509 0.922,510 0.947,511 0.467,512 0.949,513 0.932,514 1.207,515 0.91,516 1.139,517 0.687,518 1.035,519 1.801,520 0.919,521 1.104,522 0.893,523 1.498,524 0.908,525 1.671,526 1.073,527 1.15,528 1.033,529 1.425,530 1.032,531 1.504,532 0.867,533 1.036,534 0.865,535 1.74,536 0.895,537 1.199,538 1.079,539 1.225,540 1.104,541 1.573,542 1.157,543 0.793,544 1.154,545 1.256,546 1.239,547 0.843,548 1.294,549 3.5,550 0.017,551 2.444,552 1.535,553 0.858,554 0.597,555 0.524,556 0.29,557 0.158,558 0.08,559 3753,560 9055,561 1.968,562 51.2,563 5,564 11,565 1,567 1,569 4,572 1.636,573 1.826,574 3.135,575 -0.338,577 1,582 61.735,583 1.436,584 3.496,585 4.769,586 4.973,587 4.973,588 4.973,589 2.629,590 4.297,591 4.357,592 3.245,593 681.533,594 7.494,595 7231.34,597 1,599 1,600 233.329,601 1.461,602 4.311,603 0.159,604 0.004,605 0.084,606 0.051,607 0.03,608 0.023,609 0.021,610 0.014,611 0.012,612 0.009,613 0.408,614 0.67,615 1,616 2.052,617 94.426,618 -0.007,619 -0.203,620 0.047,621 -0.097,622 -0.011,623 -0.03,624 0.3,625 0.145,626 0.062,627 0.065,628 0.156,629 0.041,630 0.019,631 -0.178,632 0.063,633 -0.129,634 0.043,635 -0.039,636 -0.157,637 0.058,638 -0.048,639 0.054,640 -0.147,641 0.022,642 -0.201,643 -0.095,644 -0.12,645 -0.057,646 -0.132,647 -0.078,648 -0.069,649 0.104,650 -0.005,651 0.092,652 -0.119,653 0.051,654 -0.196,655 -0.043,656 -0.252,657 -0.101,658 -0.168,659 -0.172,660 -0.12,661 -0.16,662 -0.321,663 -0.256,664 -0.056,665 -0.305,666 1.979,667 5.074,668 0.429,669 16.454,670 0.993,671 1.129,672 2.781,673 7.735,674 0.64,675 3.135,676 3.401,677 3.664,678 3.912,679 4.06,680 4.127,681 4.205,682 4.22,683 4.06,684 3.932,685 5.232,686 0.599,687 286.41,688 3.135,689 4.635,690 5.468,691 6.333,692 7.198,693 8.079,694 8.957,695 9.844,696 10.729,697 11.621,698 4.7,700 1,705 1,715 3,720 3,722 6,737 1,741 43,743 8,744 1,745 22,747 44,748 17,749 6,750 3,751 3,756 2,757 3,763 1,767 3,770 4,771 2,772 7,773 8,777 1,782 1,786 1,790 1,793 22,794 4,795 1,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,836 1,837 1,853 1,859 1,864 2,868 21,876 5,877 1,878 1,880 1,881 1,885 1,886 1,891 1,893 4.7,896 1,898 1,901 11.5,902 8.2,903 4.944,904 2.781,907 1.53,908 1.237,909 0.926,910 5.522,911 7.998,912 3.367,913 3.795,914 4.259,915 4.735,916 5.17,917 5.345,918 5.59,919 5.807,920 5.734,921 5.772,922 1,923 30,924 7.77,926 3.144,927 0.026,929 7.738,931 14.967,933 11.859,936 2.238,937 47,938 0.001,941 247.193,942 116.194,943 21.135,945 36.145,948 116.194,949 283.338,950 21.135,951 17.222,952 14.939,953 46.439,954 25.145,955 22.614,956 58.885,957 235.422,959 247.193,960 137.329,961 36.145,964 200.109,965 83.229,968 41.775,969 78.523,970 17.031,972 247.193,973 57.28,974 116.194,977 247.193,978 30.192,979 48.775,980 35.041,981 59.466,982 247.193,983 57.28,984 116.194,986 0.555,987 0.329,988 0.181,989 0.098,990 12,991 6,992 0.136,993 6,994 1,995 1.222,996 3.254,997 152.404,998 0.222,999 9,1000 92.239,1005 15.721,1006 7.376,1007 3.707,1009 57.28,1010 5.872,1015 2.95,1017 18.011,1018 420.667,1019 28,1024 12.074,1028 -0.312,1031 42.694,1032 48.567,1034 0.265,1035 0.644,1036 0.879,1037 0.916,1038 0.916,1039 0.916,1040 4.6,1041 0.867,1042 5.434,1043 2.486,1044 4.078,1045 4.477,1046 2.503,1047 6.24,1048 4.001,1049 5.766,1050 0.701,1051 6.989,1052 1.914,1053 3.611,1054 4.182,1055 1.847,1056 7.186,1057 3.489,1058 7.05,1059 0.225,1060 8.655,1061 1.234,1062 5.645,1063 6.503,1064 3.569,1065 10.316,1066 5.492,1067 8.369,1068 -0.196,1069 10.388,1070 0.378,1071 6.066,1072 7.098,1073 3.656,1074 12.153,1075 5.881,1076 9.724,1077 -0.592,1078 12.164,1079 -0.46,1080 7.544,1081 8.896,1082 4.964,1083 14.797,1084 7.333,1085 11.105,1086 -0.707,1087 13.97,1088 -0.907,1089 8.369,1090 9.906,1091 5.37,1092 16.989,1093 8.14,1094 12.506,1095 -0.911,1096 15.798,1097 -1.483,1098 9.633,1099 11.497,1100 6.459,1101 19.479,1102 9.384,1103 3.189,1104 -1.157,1105 17.642,1106 -2.291,1107 10.641,1108 12.706,1109 7.028,1110 21.811,1111 10.377,1112 2.708,1113 11.242,1114 19.499,1115 -2.607,1116 11.825,1117 14.205,1118 7.994,1119 24.251,1120 11.546,1121 2.149,1122 8.068,1123 21.366,1124 4.09,1125 12.912,1126 15.511,1127 8.654,1128 26.636,1129 12.62,1130 1.999,1131 6.265,1132 23.242,1133 3.083,1134 14.07,1135 16.966,1136 9.549,1137 29.061,1138 13.763,1139 1.46,1140 5.98,1141 25.125,1142 2.556,1143 15.192,1144 18.321,1145 10.263,1146 31.467,1147 14.872,1148 1.43,1149 3.335,1150 27.013,1151 2.416,1152 16.343,1153 19.754,1154 11.116,1155 33.888,1156 16.009,1157 1.151,1158 3.036,1159 28.906,1160 2.027,1161 17.481,1162 21.134,1163 11.862,1164 36.302,1165 17.133,1166 3942,1167 6208,1168 14.216,1169 27.534,1170 33.049,1171 33.146,1172 33.798,1173 31.802,1174 31.763,1175 38.648,1176 8.689,1177 87.88,1178 30.601,1179 5.382,1180 5.788,1181 6.667,1182 5.249,1183 5.189,1184 7.09,1185 3.912,1186 18.149,1187 5.126,1188 11.42,1189 1.502,1190 1.507,1191 1.536,1192 1.446,1193 1.444,1194 1.757,1195 0.395,1196 3.995,1197 1.391,1198 4.034,1199 4.062,1200 3.977,1201 3.963,1202 7.433,1203 3.962,1204 3.718,1205 3.786,1206 3.608,1207 3.512,1208 5.432,1209 3.516,1210 3.572,1211 3.632,1212 3.465,1213 3.441,1214 4.809,1215 3.44,1216 3.41,1217 3.465,1218 3.271,1219 3.284,1220 4.301,1221 3.271,1222 3.344,1223 3.414,1224 3.191,1225 3.12,1226 4.186,1227 3.135,1228 3.057,1229 3.106,1230 2.901,1231 2.87,1232 4.104,1233 2.869,1234 2.905,1235 2.972,1236 2.73,1237 2.624,1238 3.875,1239 2.645,1240 2.748,1241 2.874,1242 2.524,1243 2.503,1244 3.753,1245 2.476,1246 0.204,1247 0.172,1248 0.309,1249 0.19,1250 0.145,1251 4.477,1252 0.186,1253 3.788,1254 0.1,1255 6.805,1256 0.511,1257 4.169,1258 0.142,1259 3.189,1260 4.09,1261 2.208,1262 11.242,1263 3.126,1264 1.894,1265 1.876,1266 1.988,1267 1.991,1268 1.189,1269 1.987,1270 1.669,1271 1.597,1272 1.934,1273 1.888,1274 1.182,1275 1.904,1276 1.636,1277 1.574,1278 1.855,1279 1.822,1280 1.171,1281 1.838,1282 1.431,1283 1.382,1284 1.657,1285 1.613,1286 0.731,1287 1.629,1288 1.32,1289 1.244,1290 1.641,1291 1.567,1292 0.713,1293 1.599,1294 1.067,1295 1.012,1296 1.306,1297 1.245,1298 0.463,1299 1.262,1300 0.896,1301 0.86,1302 1.29,1303 1.218,1304 0.423,1305 1.214,1306 0.797,1307 0.679,1308 1.064,1309 1.098,1310 0.114,1311 1.132,1312 3.807,1314 5.081,1315 2.398,1316 6.558,1317 4.727,1318 8.139,1319 6.843,1320 9.78,1322 3.785,1328 4.073,1329 3.314,1330 5.577,1332 0.163,1333 1.595,1337 5.314,1339 2.594,1340 25.74,1341 61.735,1342 150.333,1343 205.065,1344 213.82,1345 213.82,1346 213.82,1347 39.005,1348 6.468,1349 41.57,1350 41.57,1351 11,1352 12.15,1353 3.17,1354 2.807,1355 39.074,1356 63,1357 74,1358 0.307,1359 163.07,1360 290.78,1361 389.651,1362 4610,1364 15.242,1365 0.726,1366 0.604,1367 15.242,1368 12.686,1369 10.168,1370 0.462,1371 0.336,1372 7.289,1373 9.809,1374 7.055,1375 5.934,1376 10.168,1377 7.385,1378 8.487,1379 0.293,1380 0.183,1381 8.487,1382 5.295,1383 7.009,1384 0.184,1385 0.098,1386 7.009,1387 3.726,1388 5.667,1389 0.116,1390 0.056,1391 5.667,1392 2.721,1393 4.29,1394 0.075,1395 0.028,1396 4.29,1397 1.617,1398 0.468,1399 63.517,1400 0.265,1401 20.669,1402 0.878,1403 102,1404 289.449,1405 112.555,1406 278.771,1407 375.81,1408 260,1409 118,1410 271.782,1411 128.475,1412 275.354,1413 401.22,1414 257,1415 4.339}
{0 CHEMBL543215,1 1.391,2 10.667,3 4.947,4 24.476,5 95.083,6 6.53,7 0.231,8 3.978,9 4.108,10 3.435,11 3.504,12 4.959,13 3.457,14 4.577,15 4.774,16 3.779,17 3.921,18 5.502,19 3.835,20 4.88,21 5.124,22 3.819,23 4.069,24 5.709,25 3.947,26 4.936,27 5.19,28 3.743,29 4.018,30 5.831,31 3.891,32 4.858,33 5.119,34 3.672,35 3.893,36 5.817,37 3.777,38 4.645,39 4.873,40 3.532,41 3.772,42 5.658,43 3.669,44 4.527,45 4.757,46 3.457,47 3.716,48 5.534,49 3.595,50 4.473,51 4.714,52 3.321,53 3.677,54 5.388,55 3.537,56 0.043,57 0.698,58 11.778,59 4.889,60 8.627,61 6.824,62 0.353,63 1.166,64 22.295,65 8.218,66 27.544,67 11.93,68 0.22,69 1.455,70 30.242,71 10.979,72 31.066,73 16.005,74 0.357,75 1.437,76 32.736,77 10.962,78 45.817,79 15.832,80 0.423,81 1.266,82 30.646,83 10.033,84 50.581,85 14.28,86 0.337,87 1.049,88 24.663,89 8.377,90 45.541,91 11.552,92 0.287,93 0.988,94 21.501,95 7.87,96 38.684,97 11.037,98 0.194,99 0.958,100 20.126,101 7.367,102 34.804,103 10.627,104 13,105 35,106 0.237,107 0.556,108 0.747,109 0.833,110 0.852,111 0.852,112 3.228,113 1.03,114 -4.32,115 -4.25,116 -4.01,121 40,123 7,126 1,127 1,129 2,142 1,143 1,144 3,145 2,146 1,161 1,176 11,179 3,180 4,185 3,187 12,192 4,197 4,200 8,206 10,211 1,214 3,219 10,222 1,224 1,227 5,232 4,239 8,244 5,247 2,251 10,256 1,264 9,269 2,274 2,277 8,281 822,282 16.422,283 16.422,284 16.422,285 16.422,286 16.422,287 15.385,288 21.677,289 9.974,290 16.699,291 12.798,292 12.798,293 12.798,294 12.798,295 12.798,296 11.059,297 28.566,298 4.698,299 13.235,300 4.253,301 2.385,302 1.266,303 0.765,304 0.655,305 0.655,306 3.91,311 1,312 1,313 543,314 3.536,317 58.36,318 148.264,321 102.25,325 1.611,326 19.868,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 51,338 256,339 4.383,340 3.802,341 6.548,342 4.084,343 3.099,344 3.981,345 2.208,346 10.366,347 3.058,348 4.053,349 3.359,350 6.337,351 3.874,352 2.933,353 3.223,354 0.911,355 9.42,356 2.751,357 3.626,358 2.772,359 5.407,360 3.351,361 2.406,362 2.856,363 0.655,364 7.088,365 2.262,366 3.496,367 2.587,368 5.124,369 3.045,370 2.067,371 2.35,372 0.44,373 5.984,374 2.012,375 3.242,376 2.46,377 4.918,378 2.901,379 1.925,380 2.26,381 0.13,382 5.408,383 1.872,384 3.127,385 2.129,386 4.163,387 2.439,388 1.457,389 2.006,391 3.551,392 1.428,393 2.579,394 1.73,395 3.773,396 2.413,397 1.424,398 1.53,400 3.13,401 1.4,402 2.52,403 1.375,404 3.455,405 2.194,406 1.2,407 1.491,409 2.579,410 1.191,411 2.026,412 1.048,413 3.295,414 2,415 1,416 1,418 2.136,419 1,420 2,421 1,422 3.247,423 1.752,424 0.777,425 0.91,427 1.775,428 0.755,429 1.768,430 0.983,431 3.175,432 1.587,433 0.622,434 0.677,436 1.448,437 0.593,438 1.686,439 0.654,440 2.626,441 1.163,442 0.198,443 0.264,445 0.338,446 0.19,447 1.141,448 0.409,449 2.436,450 0.739,451 -0.23,452 -0.293,454 -0.538,455 -0.219,456 0.618,457 -0.274,458 2.217,459 0.225,460 -0.749,461 -0.752,463 -1.608,464 -0.725,465 0.578,466 -0.519,467 2,468 0.205,469 -0.776,470 -1,472 -1.676,473 -0.754,474 11.467,475 0.478,476 0.486,477 0.02,478 25,479 1.042,480 10,481 0.417,482 15,483 0.625,484 23.021,485 0.959,486 26.933,487 0.539,488 17.012,489 0.709,490 4.461,491 0.186,492 7.225,493 0.301,494 0.116,496 0.297,501 0.788,502 1.382,503 0.913,504 1.201,505 0.594,506 1.086,507 0.644,508 1.108,509 0.977,510 1.057,511 0.425,512 1.046,513 0.909,514 1.163,515 0.969,516 1.105,517 0.615,518 1.048,519 1.467,520 1.023,521 1.078,522 1.003,523 1.278,524 0.995,525 1.641,526 0.856,527 0.985,528 0.854,529 1.649,530 0.85,531 2.013,532 0.895,533 1.148,534 0.888,535 1.927,536 0.927,537 1.246,538 0.992,539 1.069,540 1.028,541 1.489,542 1.039,543 1.127,544 1.046,545 1.133,546 1.053,547 1.42,548 1.087,549 4,550 0.052,551 2.667,552 1.667,553 1.084,554 0.66,555 0.486,556 0.29,557 0.25,558 0.131,559 6439,560 13413,561 2.064,562 52,563 8,564 10,565 1,567 1,569 6,572 1.668,573 1.946,574 3.396,575 -0.383,582 69.543,583 1.391,584 3.259,585 4.378,586 4.879,587 4.989,588 4.989,589 2.892,590 4.252,591 4.555,592 3.515,593 970.057,594 7.857,595 11525.6,597 1,600 282.193,601 1.347,602 4.522,603 0.154,604 0.004,605 0.076,606 0.048,607 0.035,608 0.023,609 0.019,610 0.012,611 0.012,612 0.008,613 0.39,614 0.33,615 1,616 1.139,617 114.851,618 0.004,619 -0.142,620 0.059,621 -0.053,622 0.023,624 0.292,625 0.037,626 0.011,627 -0.017,628 0.171,629 -0.032,630 -0.003,631 -0.138,632 0.006,633 -0.107,634 0.054,635 -0.056,636 -0.123,637 -0.051,638 -0.057,639 -0.052,640 -0.078,641 -0.046,642 -0.061,643 0.068,644 0.059,645 0.079,646 -0.095,647 0.083,648 -0.257,649 0.058,650 -0.09,651 0.084,652 -0.246,653 0.023,654 0.008,655 0.006,656 -0.062,657 -0.027,658 -0.087,659 -0.056,660 -0.144,661 -0.024,662 -0.153,663 -0.053,664 -0.119,665 -0.097,666 1.923,667 5.427,668 0.625,669 20.583,670 0.989,671 1.128,672 3.087,673 9.527,674 0.641,675 3.296,676 3.584,677 3.85,678 4.078,679 4.248,680 4.263,681 4.382,682 4.466,683 4.394,684 4.443,685 6.152,686 0.596,687 326.48,688 3.296,689 4.812,690 5.652,691 6.515,692 7.376,693 8.247,694 9.116,695 9.991,696 10.864,697 11.742,698 4,700 1,705 1,715 3,720 3,722 6,737 1,741 50,743 8,744 1,745 26,747 52,748 20,749 6,750 3,751 3,756 3,757 4,767 9,770 9,771 2,772 7,773 11,777 1,782 1,786 1,793 26,794 4,795 1,796 4,802 2,808 0.667,809 2,828 1,829 2,832 1,836 1,837 1,853 1,859 2,864 1,868 24,876 8,877 1,878 1,880 2,881 1,885 1,886 1,891 1,893 4,896 1,898 1,901 12.333,902 9.033,903 5.444,904 3.324,907 1.411,908 1.202,909 0.946,910 5.681,911 8.382,912 3.497,913 3.922,914 4.36,915 4.807,916 5.249,917 5.419,918 5.715,919 5.966,920 5.899,921 6.049,922 1,923 35,924 8.931,926 3.741,927 0.026,929 7.618,931 17.575,933 14.727,936 2.118,937 50.833,939 1,940 1,941 294.278,942 115.401,943 21.135,945 36.145,948 115.401,949 330.422,950 21.135,951 8.396,952 22.972,953 46.439,954 25.145,955 22.614,956 58.885,957 282.506,959 294.278,960 136.537,961 36.145,964 223.651,965 106.771,968 40.982,969 78.523,970 17.031,972 294.278,973 57.28,974 115.401,977 294.278,978 38.225,979 39.949,980 35.041,981 59.466,982 294.278,983 57.28,984 115.401,986 0.567,987 0.334,988 0.179,989 0.097,990 16,991 7,992 0.096,993 5,994 1,995 1.133,996 3.661,997 188.004,998 0.133,999 15,1000 106.039,1005 17.17,1006 7.941,1007 4.069,1009 57.28,1010 5.953,1015 3.136,1017 18.011,1018 466.959,1019 32,1024 12.427,1028 -0.256,1031 49.461,1032 56.398,1034 0.246,1035 0.577,1036 0.776,1037 0.864,1038 0.884,1039 0.884,1040 4.749,1041 1.2,1042 5.617,1043 3.13,1044 4.263,1045 4.605,1046 2.503,1047 6.405,1048 4.197,1049 5.901,1050 1,1051 7.162,1052 2.579,1053 3.761,1054 4.27,1055 1.847,1056 7.269,1057 3.642,1058 7.177,1059 0.777,1060 8.812,1061 2.136,1062 5.826,1063 6.577,1064 3.569,1065 10.378,1066 5.687,1067 8.483,1068 0.622,1069 10.524,1070 1.775,1071 6.196,1072 7.108,1073 3.656,1074 12.096,1075 6.008,1076 9.823,1077 0.198,1078 12.278,1079 1.448,1080 7.694,1081 8.894,1082 4.964,1083 14.7,1084 7.491,1085 11.186,1086 -0.23,1087 14.059,1088 0.338,1089 8.465,1090 9.83,1091 5.37,1092 16.761,1093 8.223,1094 12.567,1095 -0.749,1096 15.859,1097 -0.538,1098 9.733,1099 11.407,1100 6.459,1101 19.187,1102 9.476,1103 3.099,1104 -0.776,1105 17.674,1106 -1.608,1107 10.69,1108 12.545,1109 7.028,1110 21.393,1111 10.404,1112 2.933,1113 10.366,1114 19.5,1115 -1.676,1116 11.863,1117 14.027,1118 7.994,1119 23.753,1120 11.563,1121 2.406,1122 9.42,1123 21.334,1124 3.981,1125 12.906,1126 15.272,1127 8.654,1128 26.022,1129 12.583,1130 2.067,1131 7.088,1132 23.174,1133 3.223,1134 14.041,1135 16.707,1136 9.549,1137 28.357,1138 13.704,1139 1.925,1140 5.984,1141 25.02,1142 2.856,1143 15.122,1144 18.01,1145 10.263,1146 30.654,1147 14.768,1148 1.457,1149 5.408,1150 26.87,1151 2.35,1152 16.243,1153 19.42,1154 11.116,1155 32.98,1156 15.875,1157 1.424,1158 3.551,1159 28.723,1160 2.26,1161 17.342,1162 20.756,1163 11.862,1164 35.292,1165 16.96,1166 6299,1167 9209,1168 17.394,1169 32.057,1170 39.475,1171 39.655,1172 39.653,1173 38.253,1174 38.215,1175 45.095,1176 8.689,1177 106.448,1178 37.025,1179 5.383,1180 5.802,1181 6.41,1182 5.171,1183 5.099,1184 6.981,1185 3.912,1186 17.105,1187 5.058,1188 10.677,1189 1.518,1190 1.525,1191 1.525,1192 1.471,1193 1.47,1194 1.734,1195 0.334,1196 4.094,1197 1.424,1198 4.036,1199 4.066,1200 3.974,1201 3.964,1202 7.433,1203 3.962,1204 3.884,1205 3.942,1206 3.762,1207 3.757,1208 5.432,1209 3.747,1210 3.597,1211 3.645,1212 3.504,1213 3.444,1214 4.811,1215 3.448,1216 3.499,1217 3.555,1218 3.399,1219 3.309,1220 4.354,1221 3.32,1222 3.361,1223 3.423,1224 3.226,1225 3.202,1226 4.269,1227 3.206,1228 3.111,1229 3.206,1230 2.904,1231 2.941,1232 4.031,1233 2.91,1234 3.036,1235 3.086,1236 2.866,1237 2.872,1238 3.905,1239 2.868,1240 2.968,1241 3.063,1242 2.801,1243 2.778,1244 3.645,1245 2.763,1246 0.169,1247 0.146,1248 0.252,1249 0.157,1250 0.119,1251 4.383,1252 0.153,1253 3.802,1254 0.085,1255 6.548,1256 0.399,1257 4.084,1258 0.118,1259 3.099,1260 3.981,1261 2.208,1262 10.366,1263 3.058,1264 1.899,1265 1.877,1266 2.096,1267 2.044,1268 1.483,1269 2.061,1270 1.87,1271 1.817,1272 1.985,1273 1.973,1274 1.187,1275 1.978,1276 1.636,1277 1.575,1278 1.855,1279 1.823,1280 1.174,1281 1.837,1282 1.437,1283 1.387,1284 1.681,1285 1.692,1286 0.879,1287 1.688,1288 1.404,1289 1.341,1290 1.65,1291 1.574,1292 0.825,1293 1.605,1294 1.153,1295 1.064,1296 1.513,1297 1.376,1298 0.728,1299 1.429,1300 1.07,1301 1.03,1302 1.396,1303 1.288,1304 0.597,1305 1.305,1306 1.002,1307 0.905,1308 1.281,1309 1.248,1310 0.442,1311 1.276,1312 3.97,1314 5.263,1315 2.398,1316 6.753,1317 4.727,1318 8.334,1319 6.823,1320 9.962,1322 1.85,1328 8.452,1329 3.355,1330 5.626,1332 0.566,1333 1.764,1337 5.339,1339 2.62,1340 29.794,1341 69.543,1342 162.935,1343 218.909,1344 243.928,1345 249.438,1346 249.438,1347 42.076,1348 6.972,1349 41.57,1350 41.57,1351 17,1352 12.28,1353 3.17,1354 2.807,1355 39.337,1356 88,1357 95,1358 0.219,1359 184.454,1360 330.32,1361 441.827,1362 9499,1364 16.941,1365 0.706,1366 0.599,1367 16.941,1368 14.385,1369 11.686,1370 0.449,1371 0.343,1372 8.837,1373 11.328,1374 8.624,1375 7.164,1376 11.686,1377 8.931,1378 10.053,1379 0.287,1380 0.195,1381 10.053,1382 6.808,1383 8.595,1384 0.187,1385 0.114,1386 8.595,1387 5.261,1388 6.841,1389 0.118,1390 0.066,1391 6.841,1392 3.828,1393 5.387,1394 0.078,1395 0.038,1396 5.387,1397 2.611,1398 0.344,1399 72.585,1400 0.24,1401 23.586,1402 0.595,1403 122,1404 309.449,1405 132.889,1406 299.168,1407 407.35,1408 280,1409 142,1410 298.134,1411 152.476,1412 301.782,1413 440.06,1414 283,1415 4.385}
{0 CHEMBL543216,1 1.439,2 10.667,3 4.666,4 21.768,5 93.847,6 7.282,7 0.462,8 3.866,9 3.981,10 3.419,11 3.433,12 4.986,13 3.406,14 4.387,15 4.554,16 3.752,17 3.805,18 5.473,19 3.752,20 4.625,21 4.825,22 3.786,23 3.92,24 5.635,25 3.841,26 4.684,27 4.895,28 3.71,29 3.876,30 5.744,31 3.79,32 4.66,33 4.893,34 3.645,35 3.789,36 5.731,37 3.7,38 4.478,39 4.69,40 3.503,41 3.679,42 5.572,43 3.597,44 4.357,45 4.57,46 3.427,47 3.61,48 5.457,49 3.514,50 4.288,51 4.51,52 3.286,53 3.544,54 5.336,55 3.438,56 0.021,57 0.598,58 8.948,59 4.014,60 8.783,61 5.225,62 0.304,63 0.979,64 16.653,65 6.497,66 25.9,67 8.826,68 0.138,69 1.188,70 22.001,71 8.636,72 25.552,73 11.647,74 0.251,75 1.206,76 24.407,77 8.896,78 45.154,79 11.717,80 0.313,81 1.134,82 24.715,83 8.849,84 48.268,85 11.767,86 0.263,87 0.945,88 20.265,89 7.435,90 42.955,91 9.57,92 0.234,93 0.874,94 17.443,95 6.769,96 36.26,97 9.028,98 0.18,99 0.828,100 16.305,101 6.098,102 37.491,103 8.242,104 13,105 35,106 0.249,107 0.617,108 0.781,109 0.86,110 0.871,111 0.871,112 3.228,113 0.922,114 -4.74,115 -4.65,116 -4.37,121 45.5,123 2,126 1,127 1,129 1,142 1,143 1,144 8,145 2,146 2,161 1,176 11,179 3,180 4,185 3,187 12,192 4,197 4,200 8,206 10,211 1,214 3,219 10,222 1,224 1,227 5,232 4,239 8,244 5,247 2,251 10,256 1,264 9,269 2,274 2,277 8,281 822,282 16.422,283 16.422,284 16.422,285 16.422,286 16.422,287 14.659,288 21.677,289 9.974,290 16.699,291 12.798,292 12.798,293 12.798,294 12.798,295 12.798,296 10.046,297 28.566,298 4.698,299 13.235,300 4.02,301 1.891,302 0.943,303 0.489,304 0.426,305 0.426,306 3.91,311 1,312 1,313 543,314 3.536,317 58.36,318 148.264,321 102.25,325 1.611,326 19.274,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 51,338 256,339 4.384,340 3.802,341 6.548,342 4.084,343 3.099,344 3.981,345 2.208,346 10.366,347 3.058,348 4.172,349 3.359,350 6.337,351 3.874,352 2.933,353 3.606,354 0.911,355 9.42,356 2.751,357 3.721,358 2.772,359 5.407,360 3.351,361 2.406,362 3.053,363 0.655,364 7.088,365 2.262,366 3.509,367 2.587,368 5.124,369 3.045,370 2.067,371 2.691,372 0.44,373 5.984,374 2.012,375 3.415,376 2.46,377 4.918,378 2.901,379 1.925,380 2.329,381 0.13,382 5.408,383 1.872,384 3.139,385 2.129,386 4.163,387 2.439,388 1.457,389 2.008,391 3.551,392 1.428,393 2.878,394 1.73,395 3.773,396 2.413,397 1.424,398 2.002,400 3.13,401 1.4,402 2.576,403 1.375,404 3.455,405 2.194,406 1.2,407 1.52,409 2.579,410 1.191,411 2.5,412 1.048,413 3.295,414 2,415 1,416 1.5,418 2.136,419 1,420 2.039,421 1,422 3.247,423 1.752,424 0.777,425 0.929,427 1.775,428 0.755,429 1.929,430 0.983,431 3.175,432 1.587,433 0.622,434 0.751,436 1.448,437 0.593,438 1.694,439 0.654,440 2.626,441 1.163,442 0.198,443 0.265,445 0.338,446 0.19,447 1.141,448 0.409,449 2.436,450 0.739,451 -0.23,452 -0.294,454 -0.538,455 -0.219,456 0.654,457 -0.274,458 2.217,459 0.225,460 -0.749,461 -0.964,463 -1.608,464 -0.725,465 0.616,466 -0.519,467 2,468 0.205,469 -0.776,470 -1.004,472 -1.676,473 -0.754,474 11.467,475 0.478,476 0.486,477 0.02,478 31.5,479 1.313,480 16.5,481 0.688,482 15,483 0.625,484 17.462,485 0.728,486 25.133,487 0.571,488 22.571,489 0.94,490 6.386,491 0.266,492 5.3,493 0.221,494 0.116,496 0.297,501 0.789,502 1.251,503 0.803,504 1.059,505 0.629,506 0.948,507 0.654,508 1.017,509 0.901,510 0.95,511 0.486,512 0.945,513 1.007,514 1.201,515 0.985,516 1.13,517 0.715,518 1.064,519 1.505,520 1.101,521 1.14,522 1.085,523 1.287,524 1.068,525 1.444,526 0.913,527 0.979,528 0.926,529 1.418,530 0.902,531 1.729,532 0.884,533 1.088,534 0.885,535 1.586,536 0.911,537 1.095,538 0.941,539 1.011,540 0.987,541 1.344,542 0.997,543 1.231,544 0.942,545 1.117,546 0.943,547 1.549,548 1,549 4,550 0.052,551 2.667,552 1.667,553 1.084,554 0.66,555 0.486,556 0.29,557 0.25,558 0.131,559 6439,560 16182,561 2.064,562 45.5,563 2,564 14,565 1,567 1,569 2,572 1.668,573 1.946,574 3.396,575 -0.383,582 63.338,583 1.439,584 3.568,585 4.516,586 4.971,587 5.033,588 5.033,589 2.892,590 4.252,591 4.555,592 3.515,593 970.057,594 7.857,595 11525.6,597 1,600 240.215,601 1.347,602 4.522,603 0.154,604 0.004,605 0.076,606 0.048,607 0.035,608 0.023,609 0.019,610 0.012,611 0.012,612 0.008,613 0.39,614 0.33,615 1,616 1.139,617 114.851,618 -0.015,619 -0.135,620 0.051,621 -0.053,622 -0.032,623 -0.002,624 0.31,625 0.082,626 0.022,627 0.016,628 0.139,629 -0.011,630 -0.034,631 -0.189,632 -0.033,633 -0.155,634 0.024,635 -0.103,636 -0.159,637 -0.117,638 -0.135,639 -0.129,640 -0.085,641 -0.127,642 -0.032,643 0.027,644 0.06,645 0.035,646 -0.038,647 0.056,648 -0.223,649 0.057,650 -0.062,651 0.089,652 -0.201,653 0.041,654 0.038,655 0.032,656 -0.028,657 -0.007,658 -0.085,659 -0.03,660 -0.184,661 0.057,662 -0.139,663 0.025,664 -0.171,665 -0.038,666 2.077,667 5.328,668 0.625,669 20.583,670 0.996,671 1.117,672 3.507,673 12.298,674 0.677,675 3.296,676 3.584,677 3.85,678 4.078,679 4.248,680 4.263,681 4.382,682 4.466,683 4.394,684 4.443,685 6.152,686 0.641,687 320.42,688 3.296,689 4.812,690 5.652,691 6.515,692 7.376,693 8.247,694 9.116,695 9.991,696 10.864,697 11.742,698 4.5,700 1,705 1,715 8,720 4,722 12,737 1,741 44,743 14,744 2,745 26,747 46,748 20,749 12,750 4,751 8,756 3,757 4,767 3,770 3,771 2,772 13,773 5,777 1,782 1,786 1,790 1,793 20,794 4,795 1,796 4,802 2,808 0.667,809 2,828 1,829 2,832 1,836 1,837 1,853 1,859 2,864 1,868 24,876 3,877 1,878 1,880 1,881 1,885 1,886 1,891 1,893 4.5,896 1,898 1,901 12.333,902 8.117,903 5.444,904 2.585,907 2.253,908 1.323,909 0.969,910 5.075,911 9.224,912 3.584,913 4.078,914 4.575,915 5.072,916 5.546,917 5.616,918 5.916,919 6.157,920 6.147,921 6.442,922 1,923 35,924 8.85,926 3.678,927 0.026,929 7.736,931 16.937,933 13.676,936 2.236,937 53.667,940 1,941 223.651,942 152.867,943 21.135,945 36.145,948 152.867,949 259.796,950 21.135,951 8.396,952 10.299,953 93.821,954 25.145,955 25.371,956 58.885,957 211.88,959 223.651,960 174.002,961 36.145,964 200.109,965 59.687,968 28.31,969 128.661,970 17.031,972 223.651,973 57.28,974 152.867,977 223.651,978 28.309,979 87.331,980 35.041,981 59.466,982 223.651,983 57.28,984 152.867,986 0.567,987 0.334,988 0.179,989 0.097,990 16,991 7,992 0.109,993 5,994 1,995 1.133,996 3.661,997 188.004,998 0.133,999 15,1000 106.039,1005 16.417,1006 7.419,1007 3.742,1009 57.28,1010 15.219,1015 3.784,1017 18.011,1018 433.798,1019 35,1024 12.328,1028 -0.41,1031 43.811,1032 49.152,1034 0.264,1035 0.654,1036 0.827,1037 0.91,1038 0.922,1039 0.922,1040 4.812,1041 1.2,1042 5.617,1043 3.13,1044 4.263,1045 4.762,1046 2.503,1047 6.405,1048 4.197,1049 5.993,1050 1,1051 7.162,1052 2.579,1053 3.761,1054 4.369,1055 1.847,1056 7.269,1057 3.642,1058 7.276,1059 0.777,1060 8.812,1061 2.136,1062 5.826,1063 6.825,1064 3.569,1065 10.378,1066 5.687,1067 8.591,1068 0.622,1069 10.524,1070 1.775,1071 6.196,1072 7.263,1073 3.656,1074 12.096,1075 6.008,1076 9.938,1077 0.198,1078 12.278,1079 1.448,1080 7.694,1081 9.177,1082 4.964,1083 14.7,1084 7.491,1085 11.305,1086 -0.23,1087 14.059,1088 0.338,1089 8.465,1090 10.018,1091 5.37,1092 16.761,1093 8.223,1094 12.69,1095 -0.749,1096 15.859,1097 -0.538,1098 9.733,1099 11.687,1100 6.459,1101 19.187,1102 9.476,1103 3.099,1104 -0.776,1105 17.674,1106 -1.608,1107 10.69,1108 12.746,1109 7.028,1110 21.393,1111 10.404,1112 2.933,1113 10.366,1114 19.5,1115 -1.676,1116 11.863,1117 14.285,1118 7.994,1119 23.753,1120 11.563,1121 2.406,1122 9.42,1123 21.334,1124 3.981,1125 12.906,1126 15.469,1127 8.654,1128 26.022,1129 12.583,1130 2.067,1131 7.088,1132 23.174,1133 3.606,1134 14.041,1135 16.935,1136 9.549,1137 28.357,1138 13.704,1139 1.925,1140 5.984,1141 25.02,1142 3.053,1143 15.122,1144 18.194,1145 10.263,1146 30.654,1147 14.768,1148 1.457,1149 5.408,1150 26.87,1151 2.691,1152 16.243,1153 19.618,1154 11.116,1155 32.98,1156 15.875,1157 1.424,1158 3.551,1159 28.723,1160 2.329,1161 17.342,1162 20.922,1163 11.862,1164 35.292,1165 16.96,1166 6299,1167 10092,1168 17.394,1169 29.773,1170 39.604,1171 39.655,1172 39.653,1173 38.253,1174 38.215,1175 49.271,1176 8.689,1177 106.448,1178 37.025,1179 5.276,1180 5.802,1181 6.41,1182 5.171,1183 5.099,1184 6.981,1185 3.912,1186 17.105,1187 5.058,1188 10.677,1189 1.523,1190 1.525,1191 1.525,1192 1.471,1193 1.47,1194 1.895,1195 0.334,1196 4.094,1197 1.424,1198 4.036,1199 4.065,1200 3.977,1201 3.965,1202 7.433,1203 3.963,1204 3.907,1205 3.943,1206 3.842,1207 3.829,1208 5.432,1209 3.826,1210 3.593,1211 3.641,1212 3.508,1213 3.444,1214 4.822,1215 3.447,1216 3.483,1217 3.527,1218 3.399,1219 3.305,1220 4.745,1221 3.314,1222 3.347,1223 3.41,1224 3.219,1225 3.168,1226 4.318,1227 3.184,1228 3.021,1229 3.081,1230 2.885,1231 2.868,1232 4.069,1233 2.861,1234 2.922,1235 2.973,1236 2.758,1237 2.735,1238 3.943,1239 2.715,1240 2.854,1241 2.925,1242 2.687,1243 2.621,1244 3.674,1245 2.655,1246 0.169,1247 0.146,1248 0.252,1249 0.157,1250 0.119,1251 4.384,1252 0.153,1253 3.802,1254 0.085,1255 6.548,1256 0.399,1257 4.084,1258 0.118,1259 3.099,1260 3.981,1261 2.208,1262 10.366,1263 3.058,1264 1.904,1265 1.882,1266 2.018,1267 2.016,1268 1.187,1269 2.014,1270 1.881,1271 1.854,1272 1.983,1273 1.964,1274 1.174,1275 1.972,1276 1.636,1277 1.575,1278 1.855,1279 1.822,1280 1.081,1281 1.837,1282 1.433,1283 1.384,1284 1.655,1285 1.649,1286 0.729,1287 1.643,1288 1.363,1289 1.305,1290 1.632,1291 1.57,1292 0.682,1293 1.6,1294 1.064,1295 1.017,1296 1.282,1297 1.284,1298 0.442,1299 1.277,1300 0.886,1301 0.821,1302 1.181,1303 1.134,1304 0.218,1305 1.132,1306 0.848,1307 0.793,1308 1.114,1309 1.062,1310 0.171,1311 1.107,1312 3.97,1314 5.263,1315 2.398,1316 6.753,1317 4.727,1318 8.334,1319 6.823,1320 9.962,1322 1.697,1328 2.554,1329 3.33,1330 5.528,1332 0.224,1333 1.487,1337 5.324,1339 2.602,1340 28.214,1341 63.338,1342 156.996,1343 198.705,1344 218.705,1345 221.46,1346 221.46,1347 37.28,1348 6.972,1349 41.57,1350 41.57,1351 17,1352 12.28,1353 3.907,1354 3.322,1355 39.337,1356 88,1357 95,1358 0.219,1359 175.672,1360 311.5,1361 420.399,1362 9499,1364 16.941,1365 0.706,1366 0.569,1367 16.941,1368 13.659,1369 11.686,1370 0.449,1371 0.307,1372 7.897,1373 11.328,1374 7.686,1375 6.406,1376 11.686,1377 7.99,1378 10.053,1379 0.287,1380 0.166,1381 10.053,1382 5.799,1383 8.595,1384 0.187,1385 0.093,1386 8.595,1387 4.268,1388 6.841,1389 0.118,1390 0.051,1391 6.841,1392 2.964,1393 5.387,1394 0.078,1395 0.028,1396 5.387,1397 1.908,1398 0.344,1399 72.585,1400 0.24,1401 23.586,1402 0.595,1403 122,1404 341.449,1405 132.889,1406 333.59,1407 455.8,1408 312,1409 142,1410 335.487,1411 152.476,1412 341.407,1413 495.53,1414 320,1415 6.26}
{0 CHEMBL543217,1 1.513,2 10.174,3 3.025,4 9.152,5 87.955,6 7.265,7 0.48,8 3.859,9 3.971,10 3.402,11 3.371,12 4.976,13 3.359,14 4.387,15 4.551,16 3.758,17 3.756,18 5.49,19 3.721,20 4.591,21 4.775,22 3.794,23 3.873,24 5.654,25 3.815,26 4.657,27 4.858,28 3.649,29 3.806,30 5.764,31 3.723,32 4.613,33 4.864,34 3.512,35 3.629,36 5.679,37 3.535,38 4.336,39 4.551,40 3.366,41 3.436,42 5.396,43 3.384,44 4.196,45 4.38,46 3.414,47 3.44,48 5.438,49 3.385,50 4.259,51 4.466,52 3.229,53 3.493,54 5.322,55 3.389,56 0.03,57 0.598,58 9.11,59 4.001,60 8.827,61 5.134,62 0.35,63 0.94,64 17.226,65 6.556,66 28.64,67 8.712,68 0.18,69 1.123,70 21.35,71 8.122,72 23.816,73 10.851,74 0.294,75 1.127,76 23.884,77 8.335,78 47.492,79 11.117,80 0.4,81 1.004,82 24.366,83 7.911,84 52.09,85 11.037,86 0.315,87 0.771,88 18.168,89 5.788,90 36.234,91 7.607,92 0.442,93 0.738,94 14.935,95 5.159,96 43.597,97 6.933,98 0.214,99 0.784,100 15.796,101 5.737,102 34.896,103 7.759,104 18,105 35,106 0.265,107 0.612,108 0.781,109 0.845,110 0.856,111 0.856,112 3.188,113 0.907,114 -3.83,115 -3.79,116 -3.6,121 41.9,123 2,126 2,129 1,144 7,145 2,146 3,161 1,165 1,166 1,167 1,176 8,179 3,180 6,185 2,187 10,189 2,192 6,197 3,200 8,203 3,206 9,211 1,214 1,216 1,218 1,219 10,221 1,222 1,224 1,229 1,232 2,239 4,243 2,244 4,246 2,247 2,251 8,264 6,269 2,274 2,277 6,279 2,281 707,282 15.455,283 15.455,284 15.455,285 15.455,286 15.455,287 13.927,288 23.108,289 8.903,290 15.865,291 12.217,292 12.217,293 12.217,294 12.217,295 12.217,296 9.744,297 30.699,298 4.122,299 12.773,300 3.913,301 1.939,302 0.975,303 0.611,304 0.547,305 0.547,306 3.866,310 1,311 1,312 1,313 503,314 3.317,317 57.916,318 142.342,321 100.257,325 1.675,326 21.848,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 50,338 234,339 4.374,340 3.802,341 6.498,342 4.065,343 3.078,344 3.977,345 2.208,346 10.133,347 3.042,348 4.204,349 3.322,350 6.339,351 3.889,352 2.944,353 3.718,354 0.86,355 9.431,356 2.77,357 3.84,358 2.894,359 5.432,360 3.448,361 2.505,362 3.167,363 0.655,364 7.143,365 2.348,366 3.584,367 2.664,368 5.278,369 3.238,370 2.299,371 2.883,372 0.522,373 6.701,374 2.153,375 3.241,376 2.481,377 4.953,378 2.868,379 1.891,380 2.438,381 0.13,382 5.421,383 1.84,384 3.081,385 2.163,386 4.854,387 2.761,388 1.779,389 2.223,391 5.194,392 1.73,393 2.5,394 1.437,395 4.053,396 2.222,397 1.231,398 1.5,400 3.294,401 1.219,402 2.487,403 1.342,404 3.548,405 2,406 1,407 1.484,409 2.275,410 1,411 2.092,412 1,413 3.414,414 1.797,415 0.861,416 0.997,418 2.029,419 0.796,420 1.906,421 0.978,422 3.22,423 1.662,424 0.683,425 0.801,427 1.562,428 0.664,429 1.572,430 0.934,431 2.786,432 1.292,433 0.415,434 0.464,436 0.651,437 0.361,438 1.171,439 0.599,440 2.541,441 0.812,442 -0.153,443 -0.187,445 -0.372,446 -0.145,447 0.734,448 -0.15,449 2.243,450 0.359,451 -0.574,452 -0.693,454 -1.095,455 -0.528,456 0.623,457 -0.216,458 2,459 0.284,460 -0.686,461 -0.799,463 -1.688,464 -0.657,465 0.577,466 -0.538,467 2,468 0.141,469 -0.858,470 -1.158,472 -2.591,473 -0.855,474 10.8,475 0.47,476 0.592,477 0.026,478 29.75,479 1.293,480 15,481 0.652,482 14.75,483 0.641,484 16.941,485 0.737,486 25.2,487 0.586,488 21.433,489 0.932,490 5.985,491 0.26,492 5.095,493 0.222,494 0.16,496 0.361,501 0.843,502 1.272,503 0.808,504 1.123,505 0.747,506 0.977,507 0.813,508 0.925,509 0.829,510 0.871,511 0.568,512 0.852,513 1.017,514 1.213,515 0.99,516 1.154,517 0.786,518 1.078,519 1.325,520 1.217,521 1.207,522 1.209,523 1.376,524 1.191,525 1.105,526 0.922,527 0.909,528 0.929,529 1.353,530 0.896,531 1.665,532 0.885,533 1.042,534 0.808,535 1.628,536 0.82,537 0.879,538 0.894,539 1,540 0.917,541 1.072,542 0.967,543 1.145,544 1.034,545 1.245,546 1.086,547 1.724,548 1.162,549 5,550 0.052,551 3.111,552 1.729,553 1.191,554 0.726,555 0.492,556 0.271,557 0.23,558 0.122,559 5832,560 14787,561 2.041,562 46.5,563 2,564 14,567 2,569 2,572 1.654,573 1.89,574 3.323,575 0.278,576 1,577 1,579 1,582 65.077,583 1.513,584 3.488,585 4.451,586 4.815,587 4.88,588 4.88,589 2.773,590 4.23,591 4.496,592 3.476,593 879.407,594 7.723,595 10101.3,597 1,599 1,600 233.329,601 1.478,602 4.443,603 0.2,604 0.004,605 0.089,606 0.049,607 0.043,608 0.03,609 0.022,610 0.012,611 0.012,612 0.008,613 0.47,614 0.33,615 1,616 0.832,617 108.45,618 -0.049,619 -0.088,620 0.049,621 -0.048,622 -0.098,623 0.011,624 0.18,625 0.173,626 0.102,627 0.146,628 0.141,629 0.116,630 -0.082,631 -0.167,632 -0.056,633 -0.144,634 0.006,635 -0.102,636 -0.177,637 -0.224,638 -0.226,639 -0.237,640 -0.13,641 -0.24,642 0.043,643 -0.011,644 0.121,645 0.012,646 0.008,647 0.067,648 -0.238,649 0.054,650 0.001,651 0.139,652 -0.207,653 0.115,654 0.309,655 0.161,656 -0.02,657 0.053,658 0.237,659 -0.028,660 -0.211,661 -0.004,662 -0.299,663 -0.098,664 -0.25,665 -0.193,666 2.11,667 5.29,668 0.652,669 18.314,670 1.003,671 1.125,672 2.605,673 6.785,674 0.656,675 3.258,676 3.584,677 3.85,678 4.043,679 4.205,680 4.22,681 4.317,682 4.317,683 4.205,684 4.234,685 6.014,686 0.626,687 312.4,688 3.258,689 4.796,690 5.645,691 6.515,692 7.378,693 8.25,694 9.119,695 9.992,696 10.862,697 11.736,698 4.7,699 1,705 1,715 7,720 5,722 12,737 1,739 1,741 43,743 13,744 2,745 25,747 45,748 18,749 12,750 5,751 7,756 3,757 4,767 3,770 3,772 13,773 5,777 1,782 1,786 1,789 1,790 1,793 20,794 5,795 2,796 5,802 2,808 0.667,809 3,828 1,829 2,832 1,851 1,859 2,864 2,868 23,869 1,876 2,878 2,880 1,881 1,893 7,896 1,898 2,901 12.167,902 8.2,903 5.111,904 2.432,907 2.139,908 1.312,909 0.965,910 4.55,911 8.996,912 3.497,913 4.06,914 4.59,915 5.086,916 5.571,917 5.663,918 5.91,919 6.011,920 5.929,921 6.197,922 0.857,923 35,924 8.493,926 3.565,927 0.026,929 7.775,931 16.165,933 13.1,936 2.275,937 52.333,940 1,941 211.88,942 117.059,943 36.022,945 47.145,948 117.059,949 259.025,950 36.022,951 19.279,952 41.091,953 66.334,954 25.145,955 41.615,956 6.763,957 211.88,959 211.88,960 153.081,961 47.145,964 188.338,965 70.687,968 41.091,969 111.99,972 211.88,973 83.166,974 117.059,977 211.88,978 31.446,979 88.737,981 80.042,982 211.88,983 83.166,984 117.059,986 0.586,987 0.352,988 0.175,989 0.089,990 17,991 8,992 0.089,993 4,994 1,995 1.133,996 3.537,997 178.763,998 0.133,999 15,1000 100.042,1005 15.841,1006 6.605,1007 3.332,1009 83.166,1010 12.875,1015 4.298,1017 32.897,1018 412.106,1019 32,1024 12.29,1028 -0.443,1031 43.138,1032 48.362,1034 0.279,1035 0.643,1036 0.82,1037 0.887,1038 0.899,1039 0.899,1040 4.736,1041 1,1042 5.638,1043 3.294,1044 4.263,1045 4.745,1046 2.501,1047 6.441,1048 4.183,1049 5.931,1050 0.861,1051 7.203,1052 2.275,1053 3.892,1054 4.527,1055 1.847,1056 7.33,1057 3.76,1058 7.231,1059 0.683,1060 8.863,1061 2.029,1062 5.861,1063 6.867,1064 3.563,1065 10.393,1066 5.706,1067 8.565,1068 0.415,1069 10.577,1070 1.562,1071 6.293,1072 7.413,1073 3.656,1074 12.082,1075 6.089,1076 9.928,1077 -0.153,1078 12.326,1079 0.651,1080 7.737,1081 9.258,1082 4.961,1083 14.663,1084 7.519,1085 11.31,1086 -0.574,1087 14.099,1088 -0.372,1089 8.528,1090 10.157,1091 5.37,1092 16.689,1093 8.272,1094 12.706,1095 -0.686,1096 15.889,1097 -1.095,1098 9.766,1099 11.785,1100 6.459,1101 19.097,1102 9.497,1103 3.078,1104 -0.858,1105 17.693,1106 -1.688,1107 10.724,1108 12.875,1109 7.028,1110 21.272,1111 10.426,1112 2.944,1113 10.133,1114 19.507,1115 -2.591,1116 11.879,1117 14.39,1118 7.994,1119 23.613,1120 11.569,1121 2.505,1122 9.431,1123 21.33,1124 3.977,1125 12.915,1126 15.589,1127 8.654,1128 25.855,1129 12.583,1130 2.299,1131 7.143,1132 23.159,1133 3.718,1134 14.038,1135 17.041,1136 9.549,1137 28.169,1138 13.693,1139 1.891,1140 6.701,1141 24.995,1142 3.167,1143 15.111,1144 18.306,1145 10.263,1146 30.442,1147 14.749,1148 1.779,1149 5.421,1150 26.835,1151 2.883,1152 16.222,1153 19.721,1154 11.116,1155 32.746,1156 15.848,1157 1.231,1158 5.194,1159 28.679,1160 2.438,1161 17.313,1162 21.027,1163 11.862,1164 35.033,1165 16.925,1166 5674,1167 9150,1168 16.414,1169 28.228,1170 37.601,1171 38.783,1172 39.181,1173 37.364,1174 37.373,1175 47.303,1176 8.749,1177 107.668,1178 35.845,1179 5.26,1180 5.802,1181 6.049,1182 5.155,1183 5.078,1184 6.977,1185 3.912,1186 16.877,1187 5.042,1188 11.936,1189 1.504,1190 1.551,1191 1.567,1192 1.495,1193 1.495,1194 1.892,1195 0.35,1196 4.307,1197 1.434,1198 4.031,1199 4.058,1200 3.972,1201 3.96,1202 7.433,1203 3.958,1204 3.918,1205 3.947,1206 3.862,1207 3.83,1208 5.036,1209 3.833,1210 3.553,1211 3.585,1212 3.486,1213 3.353,1214 4.87,1215 3.366,1216 3.405,1217 3.469,1218 3.285,1219 3.186,1220 4.738,1221 3.212,1222 3.201,1223 3.274,1224 3.024,1225 2.921,1226 4.403,1227 2.929,1228 3.067,1229 3.161,1230 2.889,1231 2.875,1232 4.19,1233 2.866,1234 2.931,1235 2.983,1236 2.732,1237 2.735,1238 3.918,1239 2.715,1240 2.854,1241 2.925,1242 2.687,1243 2.62,1244 3.706,1245 2.646,1246 0.175,1247 0.152,1248 0.26,1249 0.163,1250 0.123,1251 4.374,1252 0.159,1253 3.802,1254 0.088,1255 6.498,1256 0.405,1257 4.065,1258 0.122,1259 3.078,1260 3.977,1261 2.208,1262 10.133,1263 3.042,1264 1.901,1265 1.881,1266 1.999,1267 2.019,1268 1.175,1269 2.011,1270 1.877,1271 1.854,1272 1.977,1273 1.962,1274 1.143,1275 1.968,1276 1.579,1277 1.513,1278 1.827,1279 1.77,1280 1.083,1281 1.794,1282 1.377,1283 1.326,1284 1.642,1285 1.671,1286 0.684,1287 1.654,1288 1.164,1289 1.091,1290 1.551,1291 1.472,1292 0.566,1293 1.497,1294 1.094,1295 1.027,1296 1.356,1297 1.356,1298 0.469,1299 1.363,1300 0.886,1301 0.821,1302 1.181,1303 1.17,1304 0.218,1305 1.144,1306 0.845,1307 0.793,1308 1.1,1309 1.062,1310 0.162,1311 1.107,1312 3.932,1314 5.252,1315 2.398,1316 6.765,1317 4.727,1318 8.358,1319 6.804,1320 9.992,1322 3.273,1326 6.061,1328 1.926,1330 10.572,1332 0.031,1333 1.451,1340 26.928,1341 65.077,1342 149.973,1343 191.413,1344 207.065,1345 209.82,1346 209.82,1347 36.675,1348 6.858,1349 64.79,1350 64.79,1351 17,1352 12.277,1353 3.807,1354 3,1355 37.022,1356 83,1357 89,1358 0.219,1359 166.338,1360 290.97,1361 397.625,1362 8177,1364 16.397,1365 0.713,1366 0.577,1367 16.397,1368 13.282,1369 11.08,1370 0.443,1371 0.302,1372 7.438,1373 10.6,1374 7.209,1375 6.012,1376 11.08,1377 7.562,1378 9.919,1379 0.283,1380 0.161,1381 9.919,1382 5.631,1383 8.695,1384 0.189,1385 0.091,1386 8.695,1387 4.18,1388 6.647,1389 0.119,1390 0.049,1391 6.647,1392 2.756,1393 5.087,1394 0.077,1395 0.026,1396 5.087,1397 1.7,1398 0.345,1399 69.898,1400 0.247,1401 22.74,1402 0.591,1403 120,1404 360.164,1405 133.073,1406 341.54,1407 466.35,1408 320,1409 141,1410 344.257,1411 153.301,1412 348.222,1413 506.65,1414 325,1415 6.523}
{0 CHEMBL543218,1 1.461,2 9.75,3 3.756,4 14.105,5 78.445,6 6.809,7 0.286,8 3.756,9 3.885,10 3.234,11 3.265,12 4.826,13 3.231,14 4.302,15 4.492,16 3.54,17 3.63,18 5.356,19 3.556,20 4.546,21 4.786,22 3.522,23 3.721,24 5.46,25 3.617,26 4.524,27 4.763,28 3.465,29 3.663,30 5.497,31 3.563,32 4.463,33 4.699,34 3.4,35 3.556,36 5.525,37 3.463,38 4.287,39 4.501,40 3.225,41 3.428,42 5.369,43 3.343,44 4.145,45 4.362,46 3.151,47 3.343,48 5.247,49 3.235,50 4.126,51 4.376,52 2.857,53 3.222,54 5.149,55 3.08,56 0.03,57 0.555,58 9,59 3.699,60 8.326,61 5.085,62 0.301,63 0.874,64 16.583,65 6.065,66 29.927,67 8.691,68 0.192,69 1.025,70 21.738,71 7.589,72 30.803,73 10.973,74 0.229,75 0.978,76 21.507,77 7.161,78 36.2,79 10.295,80 0.286,81 0.875,82 20.519,83 6.773,84 41.537,85 9.518,86 0.281,87 0.735,88 17.273,89 5.632,90 40.714,91 7.648,92 0.187,93 0.687,94 14.418,95 5.242,96 28.703,97 7.365,98 0.187,99 0.642,100 14.501,101 4.713,102 37.218,103 6.865,104 24,105 27,106 0.263,107 0.648,108 0.852,109 0.892,110 0.892,111 0.892,112 3.057,113 0.999,114 -3.77,115 -3.73,116 -3.55,121 40,122 1,123 3,127 2,129 1,142 1,143 1,144 3,145 2,146 1,161 1,176 8,179 1,180 2,183 2,185 4,187 8,192 2,197 5,200 6,206 5,211 3,214 3,219 6,222 1,224 3,227 5,232 1,237 1,239 6,244 3,247 1,248 1,249 2,251 6,256 1,264 4,269 1,274 2,277 3,281 498,282 13.723,283 13.723,284 13.723,285 13.723,286 13.723,287 12.662,288 19.467,289 8.629,290 13.963,291 10.329,292 10.329,293 10.329,294 10.329,295 10.329,296 8.563,297 23.534,298 4.037,299 10.707,300 3.861,301 1.72,302 0.588,303 0.369,304 0.369,305 0.369,306 3.719,310 1,311 1,312 1,313 396,314 3.464,317 46.665,318 52.375,321 82.873,325 1.475,326 17.435,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 43,338 195,339 4.381,340 3.667,341 6.547,342 4.082,343 3.094,344 3.98,345 2.186,346 10.364,347 3.058,348 3.801,349 3.354,350 5.458,351 3.469,352 2.539,353 3.065,354 0.911,355 7.302,356 2.341,357 3.51,358 2.627,359 5.123,360 3.088,361 2.119,362 2.611,363 0.44,364 6.005,365 2.04,366 3.4,367 2.475,368 4.791,369 2.899,370 1.928,371 2.322,372 0.366,373 5.395,374 1.866,375 3.134,376 2.129,377 4.155,378 2.438,379 1.456,380 2.006,382 3.532,383 1.427,384 2.577,385 1.691,386 3.46,387 2.356,388 1.373,389 1.522,391 2.606,392 1.342,393 2.443,394 1.375,395 3.376,396 2.192,397 1.197,398 1.423,400 2.477,401 1.189,402 2.023,403 0.999,404 3.193,405 1.736,406 0.752,407 0.898,409 1.653,410 0.738,411 1.701,412 0.742,413 2.739,414 1.22,415 0.279,416 0.322,418 0.482,419 0.26,420 1.306,421 0.551,422 2.437,423 1.131,424 0.163,425 0.196,427 0.26,428 0.157,429 1.139,430 0.388,431 2.259,432 0.738,433 -0.231,434 -0.288,436 -0.508,437 -0.22,438 0.618,439 -0.26,440 2,441 0.205,442 -0.771,443 -0.952,445 -1.656,446 -0.742,447 0.581,448 -0.498,449 1.928,450 0.141,451 -0.857,452 -1.138,454 -1.808,455 -0.85,456 0.203,457 -0.705,458 1.571,459 0.015,460 -1,461 -1.197,463 -2.411,464 -1.016,465 0.096,466 -0.837,467 1.155,468 -0.16,469 -1.141,470 -1.477,472 -2.708,473 -1.119,474 9.467,475 0.473,476 0.345,477 0.017,478 22.25,479 1.113,480 10,481 0.5,482 12.25,483 0.613,484 15.87,485 0.793,486 22.333,487 0.558,488 14.799,489 0.74,490 4.326,491 0.216,492 5.415,493 0.271,494 0.141,496 0.264,501 0.83,502 1.316,503 0.89,504 1.156,505 0.637,506 1.042,507 0.586,508 1.103,509 0.938,510 1.071,511 0.432,512 1.049,513 1.001,514 1.09,515 0.945,516 1.021,517 0.75,518 0.981,519 1.251,520 1.016,521 1.035,522 0.997,523 1.058,524 0.981,525 1.408,526 0.97,527 1.009,528 0.969,529 1.426,530 0.945,531 1.977,532 0.877,533 1.213,534 0.855,535 1.826,536 0.931,537 0.946,538 1.141,539 1.062,540 1.188,541 1.219,542 1.158,543 1.33,544 0.997,545 1.235,546 1.03,547 1.684,548 1.101,549 3.5,550 0.037,551 1.778,552 1.229,553 0.813,554 0.424,555 0.406,556 0.231,557 0.134,558 0.08,559 3586,560 9028,561 1.995,562 50,563 5,564 8,565 1,567 2,569 4,572 1.617,573 1.875,574 3.257,575 0.311,577 1,579 1,582 58.439,583 1.461,584 3.602,585 4.734,586 4.953,587 4.953,588 4.953,589 2.704,590 3.846,591 4.283,592 3.364,593 639.141,594 7.321,595 6654.37,596 1,597 1,598 1,599 1,600 212.877,601 1.353,602 4.255,603 0.167,604 0.005,605 0.066,606 0.047,607 0.034,608 0.019,609 0.021,610 0.014,611 0.011,612 0.009,613 0.393,614 0.67,615 1,616 2.055,617 89.67,618 -0.041,619 -0.085,620 0.032,621 -0.038,622 -0.02,623 0.004,624 0.329,625 0.019,626 0.018,627 -0.042,628 0.198,629 -0.053,630 -0.051,631 -0.094,632 0.026,633 -0.036,634 -0.016,636 -0.118,637 -0.023,638 -0.04,639 -0.034,640 -0.072,641 -0.023,642 -0.045,643 -0.025,644 0.011,645 -0.011,646 -0.076,647 0.004,648 -0.331,649 0.076,650 -0.167,651 0.112,652 -0.31,653 0.007,654 0.091,655 -0.125,656 -0.091,657 -0.186,658 -0.03,659 -0.175,660 -0.215,661 -0.016,662 -0.243,663 -0.086,664 -0.201,665 -0.154,666 2.071,667 4.55,668 0.45,669 17.78,670 0.995,671 1.129,672 2.538,673 6.441,674 0.644,675 3.091,676 3.332,677 3.555,678 3.807,679 3.97,680 4.025,681 4.143,682 4.19,683 4.007,684 3.951,685 5.54,686 0.605,687 272.38,688 3.091,689 4.575,690 5.389,691 6.24,692 7.088,693 7.955,694 8.818,695 9.693,696 10.565,697 11.444,698 5,700 1,705 1,715 3,720 3,722 6,737 1,741 40,743 8,744 1,745 21,747 41,748 16,749 6,750 3,751 3,756 2,757 3,763 1,767 3,770 4,771 2,772 7,773 7,777 1,782 1,786 1,790 1,793 20,794 4,795 2,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,836 1,837 1,853 1,859 1,864 1,868 20,876 5,877 2,878 1,880 1,885 1,886 1,891 1,893 5,896 1,898 1,901 10.667,902 7.25,903 4.722,904 2.611,907 1.482,908 1.232,909 0.935,910 5.313,911 7.865,912 3.332,913 3.75,914 4.178,915 4.676,916 5.144,917 5.324,918 5.617,919 5.832,920 5.655,921 5.758,922 0.857,923 26,924 7.38,926 2.985,927 0.026,929 7.775,931 14.185,933 11.236,936 2.275,937 45.5,938 0.001,941 211.88,942 107.798,943 36.022,945 36.145,948 107.798,949 248.025,950 36.022,951 8.825,952 29.826,953 46.439,954 25.145,955 22.614,956 58.885,957 200.109,959 211.88,960 143.819,961 36.145,964 164.795,965 83.229,968 56.662,969 70.127,970 17.031,972 211.88,973 72.166,974 107.798,977 211.88,978 30.192,979 37.254,980 53.052,981 59.466,982 211.88,983 72.166,984 107.798,986 0.547,987 0.308,988 0.171,989 0.098,990 11,991 5,992 0.146,993 6,994 1,995 1.222,996 3.28,997 137.801,998 0.222,999 9,1000 86.439,1005 14.741,1006 7.208,1007 3.915,1009 72.166,1010 5.797,1015 3.05,1017 36.022,1018 391.844,1019 27,1024 11.55,1028 -0.405,1031 39.811,1032 45.152,1034 0.275,1035 0.677,1036 0.89,1037 0.931,1038 0.931,1039 0.931,1040 4.549,1041 0.752,1042 5.333,1043 2.477,1044 4.007,1045 4.431,1046 2.45,1047 6.089,1048 3.94,1049 5.705,1050 0.279,1051 6.849,1052 1.653,1053 3.434,1054 4.086,1055 1.784,1056 6.899,1057 3.346,1058 6.977,1059 0.163,1060 8.471,1061 0.482,1062 5.525,1063 6.44,1064 3.533,1065 10.006,1066 5.395,1067 8.282,1068 -0.231,1069 10.158,1070 0.26,1071 5.832,1072 6.958,1073 3.59,1074 11.714,1075 5.696,1076 9.619,1077 -0.771,1078 11.889,1079 -0.508,1080 7.349,1081 8.785,1082 4.914,1083 14.317,1084 7.183,1085 10.98,1086 -0.857,1087 13.651,1088 -1.656,1089 8.086,1090 9.716,1091 5.289,1092 16.399,1093 7.924,1094 12.359,1095 -1,1096 15.437,1097 -1.808,1098 9.363,1099 11.322,1100 6.389,1101 18.83,1102 9.181,1103 3.094,1104 -1.141,1105 17.24,1106 -2.411,1107 10.308,1108 12.463,1109 6.93,1110 21.066,1111 10.131,1112 2.539,1113 10.364,1114 19.058,1115 -2.708,1116 11.487,1117 13.964,1118 7.902,1119 23.437,1120 11.297,1121 2.119,1122 7.302,1123 20.887,1124 3.98,1125 12.529,1126 15.213,1127 8.539,1128 25.734,1129 12.341,1130 1.928,1131 6.005,1132 22.726,1133 3.065,1134 13.671,1135 16.66,1136 9.436,1137 28.083,1138 13.474,1139 1.456,1140 5.395,1141 24.572,1142 2.611,1143 14.758,1144 17.968,1145 10.13,1146 30.405,1147 14.559,1148 1.373,1149 3.532,1150 26.424,1151 2.322,1152 15.887,1153 19.386,1154 10.981,1155 32.747,1156 15.68,1157 1.197,1158 2.606,1159 28.282,1160 2.006,1161 16.994,1162 20.726,1163 11.71,1164 35.078,1165 16.783,1166 3736,1167 6009,1168 13.811,1169 25.773,1170 30.84,1171 31.069,1172 31.398,1173 29.79,1174 29.8,1175 36.689,1176 7.808,1177 80.152,1178 28.834,1179 5.274,1180 5.667,1181 6.412,1182 5.151,1183 5.094,1184 6.98,1185 3.889,1186 17.022,1187 5.058,1188 9.881,1189 1.469,1190 1.479,1191 1.495,1192 1.419,1193 1.419,1194 1.747,1195 0.372,1196 3.817,1197 1.373,1198 4.031,1199 4.06,1200 3.971,1201 3.962,1202 7.435,1203 3.96,1204 3.683,1205 3.75,1206 3.572,1207 3.479,1208 5.432,1209 3.481,1210 3.575,1211 3.632,1212 3.46,1213 3.44,1214 4.812,1215 3.438,1216 3.422,1217 3.465,1218 3.296,1219 3.289,1220 4.343,1221 3.283,1222 3.257,1223 3.314,1224 3.128,1225 2.986,1226 4.192,1227 3.026,1228 2.995,1229 3.067,1230 2.852,1231 2.849,1232 4.008,1233 2.841,1234 2.808,1235 2.889,1236 2.571,1237 2.541,1238 3.733,1239 2.535,1240 2.728,1241 2.811,1242 2.539,1243 2.516,1244 3.626,1245 2.511,1246 0.209,1247 0.175,1248 0.312,1249 0.194,1250 0.147,1251 4.381,1252 0.19,1253 3.667,1254 0.104,1255 6.547,1256 0.494,1257 4.082,1258 0.146,1259 3.094,1260 3.98,1261 2.186,1262 10.364,1263 3.058,1264 1.893,1265 1.875,1266 1.987,1267 1.986,1268 1.187,1269 1.985,1270 1.642,1271 1.575,1272 1.922,1273 1.863,1274 1.175,1275 1.882,1276 1.636,1277 1.567,1278 1.855,1279 1.821,1280 1.156,1281 1.837,1282 1.431,1283 1.381,1284 1.653,1285 1.59,1286 0.728,1287 1.612,1288 1.201,1289 1.167,1290 1.455,1291 1.514,1292 0.53,1293 1.496,1294 1.025,1295 0.959,1296 1.278,1297 1.227,1298 0.441,1299 1.248,1300 0.811,1301 0.742,1302 1.101,1303 1.086,1304 0.163,1305 1.097,1306 0.713,1307 0.635,1308 1.035,1309 0.959,1310 0.005,1311 0.995,1312 3.761,1314 5.017,1315 2.398,1316 6.466,1317 4.727,1318 8.017,1319 6.823,1320 9.629,1322 1.997,1328 4.113,1329 6.001,1330 5.276,1332 0.253,1337 5.279,1339 2.589,1340 24.214,1341 58.439,1342 144.064,1343 189.367,1344 198.122,1345 198.122,1346 198.122,1347 33.189,1348 6.384,1349 50.36,1350 50.36,1351 11,1352 11.983,1353 3.17,1354 2.807,1355 36.483,1356 66,1357 74,1358 0.282,1359 153.478,1360 273.48,1361 366.246,1362 4186,1364 14.372,1365 0.719,1366 0.587,1367 14.372,1368 11.739,1369 9.741,1370 0.464,1371 0.333,1372 6.913,1373 9.409,1374 6.745,1375 5.651,1376 9.741,1377 6.996,1378 8.066,1379 0.299,1380 0.18,1381 8.066,1382 4.853,1383 6.385,1384 0.188,1385 0.099,1386 6.385,1387 3.376,1388 5.215,1389 0.119,1390 0.055,1391 5.215,1392 2.408,1393 4.119,1394 0.079,1395 0.03,1396 4.119,1397 1.543,1398 0.44,1399 60.746,1400 0.269,1401 20.155,1402 0.774,1403 96,1404 278.137,1405 106.195,1406 267.899,1407 359.99,1408 250,1409 109,1410 259.008,1411 117.646,1412 260.575,1413 377.8,1414 245,1415 5.623}
{0 CHEMBL543220,1 1.496,2 8,3 2.132,4 4.544,5 66.09,6 6.695,7 0.333,8 3.634,9 3.768,10 3.093,11 3.121,12 4.68,13 3.09,14 4.185,15 4.372,16 3.429,17 3.511,18 5.253,19 3.437,20 4.437,21 4.683,22 3.376,23 3.574,24 5.365,25 3.468,26 4.365,27 4.611,28 3.237,29 3.419,30 5.384,31 3.318,32 4.214,33 4.462,34 3.092,35 3.16,36 5.329,37 3.085,38 3.932,39 4.132,40 2.831,41 2.969,42 5.028,43 2.916,44 3.787,45 4.008,46 2.835,47 2.977,48 4.94,49 2.875,50 3.879,51 4.132,52 2.421,53 2.942,54 4.842,55 2.775,56 0.032,57 0.493,58 8.194,59 3.236,60 7.286,61 4.537,62 0.274,63 0.764,64 14.904,65 5.536,66 27.399,67 7.947,68 0.185,69 0.874,70 19.65,71 6.494,72 26.511,73 9.658,74 0.213,75 0.772,76 18.583,77 5.59,78 35.029,79 8.398,80 0.278,81 0.602,82 16.405,83 4.493,84 40.476,85 6.667,86 0.284,87 0.467,88 12.501,89 3.291,90 33.132,91 4.607,92 0.134,93 0.476,94 10.075,95 3.461,96 25.588,97 5.084,98 0.199,99 0.474,100 11.421,101 3.368,102 31.459,103 5.129,104 15,105 24,106 0.281,107 0.635,108 0.838,109 0.885,110 0.885,111 0.885,112 2.907,113 1.007,114 -3.08,115 -3.08,116 -2.97,121 37.1,122 1,123 3,127 1,129 1,144 3,145 2,146 1,161 1,165 1,166 1,167 1,176 7,179 1,180 2,183 2,185 3,187 8,189 2,192 2,197 4,200 6,203 3,206 5,211 3,214 1,216 1,219 6,221 1,222 1,224 3,229 1,232 1,237 1,239 2,244 2,246 1,247 1,248 1,249 2,250 1,251 4,264 3,274 1,277 3,279 1,281 316,282 11.439,283 11.439,284 11.439,285 11.439,286 11.439,287 10.585,288 16.585,289 6.974,290 11.632,291 8.853,292 8.853,293 8.853,294 8.853,295 8.853,296 7.434,297 21.016,298 3.285,299 9.161,300 3.633,301 1.751,302 0.672,303 0.422,304 0.422,305 0.422,306 3.56,311 1,312 1,313 283,314 3,317 38.359,318 42.435,321 67.363,325 1.294,326 16.421,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 37,338 136,339 4.37,340 3.667,341 6.497,342 4.062,343 3.072,344 3.976,345 2.186,346 10.129,347 3.041,348 3.794,349 3.316,350 5.446,351 3.46,352 2.529,353 3.06,354 0.522,355 7.258,356 2.332,357 3.398,358 2.567,359 4.953,360 3.041,361 2.069,362 2.6,363 0.366,364 5.496,365 1.997,366 3.084,367 2.163,368 4.791,369 2.82,370 1.837,371 2.225,373 5.339,374 1.801,375 2.489,376 1.691,377 4.046,378 2.358,379 1.375,380 1.487,382 3.29,383 1.344,384 2.44,385 1.342,386 3.385,387 2.213,388 1.219,389 1.42,391 2.501,392 1.21,393 1.92,394 0.958,395 3.218,396 1.701,397 0.717,398 0.837,400 1.652,401 0.703,402 1.31,403 0.716,404 2.736,405 1.188,406 0.244,407 0.253,409 0.408,410 0.228,411 1.167,412 0.496,413 2.278,414 0.808,415 -0.162,416 -0.194,418 -0.361,419 -0.155,420 0.624,421 -0.162,422 2,423 0.285,424 -0.679,425 -0.768,427 -1.656,428 -0.646,429 0.581,430 -0.491,431 2,432 0.141,433 -0.857,434 -1.105,436 -1.814,437 -0.849,438 0.158,439 -0.719,440 1.674,441 0.016,442 -1,443 -1.189,445 -2.597,446 -1.017,447 -0.046,448 -0.895,449 1.332,450 -0.228,451 -1.197,452 -1.434,454 -3.066,455 -1.157,456 -0.5,457 -1.323,458 1.048,459 -0.688,460 -1.641,461 -1.881,463 -3.831,464 -1.533,465 -0.513,466 -1.386,467 1,468 -0.734,469 -1.719,470 -1.912,472 -4.827,473 -1.689,474 7.967,475 0.469,476 0.383,477 0.023,478 18.5,479 1.088,480 8,481 0.471,482 10.5,483 0.618,484 13.159,485 0.774,486 19.633,487 0.561,488 11.476,489 0.675,490 3.441,491 0.202,492 4.762,493 0.28,494 0.155,496 0.314,501 0.857,502 1.27,503 0.915,504 1.156,505 0.742,506 1.047,507 0.479,508 1.103,509 0.879,510 1.111,511 0.44,512 1.065,513 0.968,514 1.082,515 0.933,516 1.033,517 0.783,518 0.985,519 1.269,520 1.092,521 1.056,522 1.062,523 1.173,524 1.026,525 1.605,526 0.968,527 1.007,528 0.928,529 1.592,530 0.887,531 2.619,532 0.846,533 1.435,534 0.757,535 2.251,536 0.908,537 0.684,538 1.231,539 0.997,540 1.257,541 1.057,542 1.194,543 1.461,544 0.919,545 1.458,546 1.01,547 2.004,548 1.194,549 3.5,550 0.02,551 1.778,552 1.229,553 0.688,554 0.316,555 0.29,556 0.156,557 0.089,558 0.06,559 2301,560 5383,561 1.994,562 51.4,563 5,564 6,567 3,569 4,572 1.566,573 1.855,574 2.995,575 1.193,577 1,578 1,579 1,582 52.361,583 1.496,584 3.378,585 4.458,586 4.708,587 4.708,588 4.708,589 2.469,590 3.852,591 4.055,592 3.125,593 424.973,594 6.843,595 3872.89,597 1,599 1,600 179.525,601 1.447,602 4.01,603 0.194,604 0.007,605 0.074,606 0.056,607 0.038,608 0.021,609 0.024,610 0.013,611 0.013,612 0.012,613 0.452,614 0.5,615 1,616 1.884,617 71.003,618 -0.077,619 0.034,620 0.021,621 0.025,622 -0.09,623 0.044,624 0.356,625 0.042,626 0.066,627 -0.014,628 0.219,629 -0.02,630 -0.055,631 -0.088,632 0.029,633 -0.035,634 -0.023,635 0.005,636 -0.123,637 -0.12,638 -0.059,639 -0.111,640 -0.079,641 -0.076,642 -0.067,643 -0.076,644 0.047,645 -0.029,646 -0.044,647 0.018,648 -0.538,649 0.089,650 -0.318,651 0.158,652 -0.425,653 -0.027,654 0.184,655 -0.163,656 -0.043,657 -0.235,658 0.193,659 -0.194,660 -0.353,661 0.077,662 -0.471,663 -0.08,664 -0.385,665 -0.263,666 2.071,667 4.388,668 0.529,669 11.751,670 0.998,671 1.135,672 1.855,673 3.44,674 0.629,675 2.944,676 3.219,677 3.434,678 3.664,679 3.784,680 3.761,681 3.871,682 3.871,683 3.584,684 3.401,685 4.811,686 0.591,687 234.33,688 2.944,689 4.443,690 5.263,691 6.12,692 6.967,693 7.834,694 8.693,695 9.565,696 10.431,697 11.305,698 5.7,699 1,705 1,715 3,720 3,722 6,737 1,741 35,743 7,744 1,745 18,747 36,748 13,749 6,750 3,751 3,756 2,757 3,763 1,767 3,770 4,772 7,773 6,777 1,782 1,786 1,790 1,793 18,794 4,795 3,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,851 1,859 1,864 1,868 17,869 1,876 4,877 1,878 1,880 1,893 5.7,896 1,898 1,901 9.167,902 6.25,903 3.889,904 2.306,907 1.303,908 1.216,909 0.943,910 3.894,911 7.324,912 3.135,913 3.624,914 4.082,915 4.589,916 5.04,917 5.151,918 5.41,919 5.521,920 5.133,921 4.917,922 1,923 22,924 6.294,926 2.597,927 0.026,929 7.794,931 12.104,933 9.772,936 2.294,937 39,938 0.002,941 176.567,942 65.34,943 50.908,945 36.145,948 65.34,949 212.711,950 50.908,951 8.825,952 60.617,953 28.429,954 25.145,955 22.614,956 6.763,957 176.567,959 176.567,960 116.248,961 36.145,964 129.482,965 83.229,968 69.442,969 46.806,972 176.567,973 87.053,974 65.34,977 176.567,978 28.086,979 37.254,980 18.011,981 69.042,982 176.567,983 87.053,984 65.34,986 0.564,987 0.32,988 0.17,989 0.09,990 11,991 5,992 0.111,993 4,994 1,995 1.222,996 2.972,997 110.909,998 0.222,999 9,1000 69.487,1005 12.242,1006 5.408,1007 2.914,1009 87.053,1010 5.686,1015 2.93,1017 50.908,1018 328.96,1019 22,1024 11.388,1028 -0.404,1031 34.927,1032 39.737,1034 0.292,1035 0.659,1036 0.869,1037 0.918,1038 0.918,1039 0.918,1040 4.35,1041 0.244,1042 5.231,1043 1.652,1044 3.892,1045 4.304,1046 2.31,1047 5.999,1048 3.829,1049 5.51,1050 -0.162,1051 6.763,1052 0.408,1053 3.434,1054 4.086,1055 1.784,1056 6.823,1057 3.346,1058 6.792,1059 -0.679,1060 8.395,1061 -0.361,1062 5.434,1063 6.363,1064 3.495,1065 9.907,1066 5.314,1067 8.109,1068 -0.857,1069 10.088,1070 -1.656,1071 5.802,1072 6.949,1073 3.59,1074 11.594,1075 5.672,1076 9.461,1077 -1,1078 11.82,1079 -1.814,1080 7.273,1081 8.747,1082 4.905,1083 14.184,1084 7.12,1085 10.836,1086 -1.197,1087 13.58,1088 -2.597,1089 8.038,1090 9.705,1091 5.289,1092 16.238,1093 7.885,1094 12.23,1095 -1.641,1096 15.362,1097 -3.066,1098 9.291,1099 11.302,1100 6.387,1101 18.653,1102 9.125,1103 3.072,1104 -1.719,1105 17.161,1106 -3.831,1107 10.245,1108 12.451,1109 6.93,1110 20.862,1111 10.082,1112 2.529,1113 10.129,1114 18.973,1115 -4.827,1116 11.41,1117 13.949,1118 7.902,1119 23.212,1120 11.239,1121 2.069,1122 7.258,1123 20.797,1124 3.976,1125 12.451,1126 15.2,1127 8.539,1128 25.485,1129 12.282,1130 1.837,1131 5.496,1132 22.629,1133 3.06,1134 13.583,1135 16.646,1136 9.436,1137 27.812,1138 13.408,1139 1.375,1140 5.339,1141 24.469,1142 2.6,1143 14.665,1144 17.954,1145 10.13,1146 30.109,1147 14.489,1148 1.219,1149 3.29,1150 26.315,1151 2.225,1152 15.786,1153 19.371,1154 10.981,1155 32.428,1156 15.604,1157 0.717,1158 2.501,1159 28.165,1160 1.487,1161 16.887,1162 20.71,1163 11.71,1164 34.736,1165 16.702,1166 2390,1167 3741,1168 11.731,1169 22.012,1170 26.053,1171 27.153,1172 27.481,1173 26.129,1174 26.125,1175 31.716,1176 6.148,1177 72.145,1178 25.315,1179 5.257,1180 5.667,1181 6.362,1182 5.13,1183 5.072,1184 6.976,1185 3.889,1186 16.655,1187 5.041,1188 8.513,1189 1.447,1190 1.509,1191 1.527,1192 1.452,1193 1.451,1194 1.762,1195 0.342,1196 4.008,1197 1.406,1198 4.025,1199 4.053,1200 3.964,1201 3.957,1202 7.435,1203 3.955,1204 3.681,1205 3.749,1206 3.565,1207 3.478,1208 5.035,1209 3.478,1210 3.492,1211 3.541,1212 3.356,1213 3.337,1214 4.744,1215 3.335,1216 3.274,1217 3.33,1218 3.146,1219 2.99,1220 4.278,1221 3.032,1222 3.048,1223 3.149,1224 2.875,1225 2.859,1226 4.126,1227 2.853,1228 2.81,1229 2.894,1230 2.556,1231 2.522,1232 3.767,1233 2.518,1234 2.714,1235 2.809,1236 2.504,1237 2.461,1238 3.664,1239 2.457,1240 2.512,1241 2.583,1242 2.353,1243 2.34,1244 3.486,1245 2.334,1246 0.243,1247 0.204,1248 0.361,1249 0.226,1250 0.171,1251 4.37,1252 0.221,1253 3.667,1254 0.121,1255 6.497,1256 0.563,1257 4.062,1258 0.169,1259 3.072,1260 3.976,1261 2.186,1262 10.129,1263 3.041,1264 1.891,1265 1.873,1266 1.985,1267 1.982,1268 1.175,1269 1.981,1270 1.641,1271 1.567,1272 1.922,1273 1.861,1274 1.157,1275 1.882,1276 1.579,1277 1.513,1278 1.827,1279 1.77,1280 1.142,1281 1.794,1282 1.212,1283 1.177,1284 1.459,1285 1.538,1286 0.532,1287 1.509,1288 1.051,1289 0.975,1290 1.349,1291 1.317,1292 0.467,1293 1.337,1294 0.811,1295 0.742,1296 1.102,1297 1.099,1298 0.163,1299 1.104,1300 0.695,1301 0.622,1302 1.017,1303 0.965,1304 0.005,1305 1.001,1306 0.512,1307 0.372,1308 0.943,1309 0.867,1311 0.9,1312 3.611,1314 4.89,1315 2.398,1316 6.358,1317 4.727,1318 7.919,1319 6.804,1320 9.536,1322 1.995,1326 5.97,1328 3.507,1329 2.667,1330 5.184,1332 0.076,1340 20.687,1341 52.361,1342 118.241,1343 156.015,1344 164.77,1345 164.77,1346 164.77,1347 26.536,1348 6.021,1349 64.35,1350 64.35,1351 11,1352 11.847,1353 3,1354 2.322,1355 28.586,1356 48,1357 56,1358 0.299,1359 130.556,1360 226.86,1361 310.316,1362 2568,1364 12.251,1365 0.721,1366 0.59,1367 12.251,1368 10.032,1369 8.203,1370 0.456,1371 0.336,1372 5.972,1373 7.905,1374 5.833,1375 4.882,1376 8.203,1377 6.045,1378 7.141,1379 0.298,1380 0.18,1381 7.141,1382 4.322,1383 5.667,1384 0.189,1385 0.099,1386 5.667,1387 2.971,1388 4.559,1389 0.12,1390 0.054,1391 4.559,1392 2.046,1393 3.492,1394 0.081,1395 0.029,1396 3.492,1397 1.247,1398 0.463,1399 51.353,1400 0.292,1401 17.293,1402 0.829,1403 84,1404 241.116,1405 93.501,1406 229.547,1407 310.19,1408 214,1409 96,1410 227.233,1411 103.813,1412 226.852,1413 331.42,1414 214,1415 5.83}
{0 CHEMBL543655,1 1.448,2 18.946,3 6.445,4 41.535,5 143.929,6 7.08,7 0.45,8 4.338,9 4.449,10 3.858,11 3.862,12 5.407,13 3.837,14 4.888,15 5.061,16 4.18,17 4.231,18 5.944,19 4.182,20 5.143,21 5.347,22 4.244,23 4.363,24 6.131,25 4.289,26 5.206,27 5.436,28 4.178,29 4.33,30 6.229,31 4.239,32 5.126,33 5.356,34 4.044,35 4.304,36 6.067,37 4.188,38 5.132,39 5.384,40 3.954,41 4.274,42 5.996,43 4.128,44 5.109,45 5.37,46 3.814,47 4.19,48 5.917,49 4.033,50 5.006,51 5.265,52 3.745,53 4.101,54 5.816,55 3.948,56 0.011,57 0.951,58 15.312,59 6.957,60 8.38,61 8.961,62 0.392,63 1.531,64 29.088,65 11.219,66 39.027,67 14.985,68 0.322,69 1.835,70 38.941,71 14.839,72 47.74,73 19.71,74 0.693,75 1.891,76 43.202,77 15.111,78 84.032,79 20.549,80 0.465,81 1.809,82 39.047,83 14.392,84 61.221,85 19.742,86 0.408,87 1.81,88 39.367,89 14.869,90 57.929,91 20.963,92 0.524,93 1.723,94 39.434,95 14.138,96 57.891,97 19.798,98 0.409,99 1.558,100 35.301,101 12.846,102 47.882,103 18.064,104 20,105 53,106 0.226,107 0.516,108 0.711,109 0.853,110 0.903,111 0.903,112 3.641,113 0.959,114 -4.53,115 -4.46,116 -4.2,121 42.3,123 5,126 2,127 3,144 11,145 3,146 4,159 1,161 1,176 14,179 1,180 13,183 2,187 15,192 12,200 9,205 2,206 13,211 2,214 10,218 1,219 6,224 2,227 12,231 1,232 6,237 1,239 12,243 1,244 4,247 1,251 10,255 1,256 4,264 11,269 4,274 1,277 10,281 2836,282 25.283,283 25.283,284 25.283,285 25.283,286 25.283,287 22.901,288 28.551,289 15.437,290 25.805,291 19.743,292 19.743,293 19.743,294 19.743,295 19.743,296 15.999,297 35.777,298 7.37,299 20.52,300 4.701,301 2.843,302 1.592,303 0.684,304 0.359,305 0.359,306 4.339,312 1,313 1512,314 4.583,318 464.858,322 351.624,325 2.767,326 34,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 80,338 701,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 2.186,346 11.061,347 3.18,348 4.105,349 3.66,350 6.011,351 3.723,352 2.761,353 3.688,354 0.916,355 8.529,356 2.661,357 4.048,358 2.995,359 5.681,360 3.613,361 2.642,362 3.676,363 0.86,364 7.996,365 2.563,366 3.672,367 2.984,368 5.407,369 3.38,370 2.451,371 2.964,372 0.86,373 6.913,374 2.261,375 3.617,376 2.82,377 5.29,378 3.232,379 2.271,380 2.886,381 0.366,382 6.815,383 2.172,384 3.378,385 2.632,386 5.124,387 3.123,388 2.167,389 2.515,390 0.172,391 6.04,392 2.055,393 3.309,394 2.495,395 4.862,396 2.957,397 2.016,398 2.504,400 5.594,401 1.88,402 3.09,403 2.172,404 4.585,405 2.835,406 1.849,407 2.175,409 4.814,410 1.812,411 2.906,412 1.865,413 4.125,414 2.721,415 1.748,416 2.082,418 3.683,419 1.69,420 2.823,421 1.668,422 3.859,423 2.436,424 1.45,425 1.836,427 3.384,428 1.425,429 2.714,430 1.528,431 3.715,432 2.355,433 1.38,434 1.807,436 3.083,437 1.341,438 2.658,439 1.37,440 3.535,441 2.243,442 1.256,443 1.724,445 2.889,446 1.236,447 2.465,448 1.298,449 3.492,450 2.179,451 1.187,452 1.438,454 2.605,455 1.175,456 2.378,457 1.278,458 3.458,459 1.91,460 0.914,461 1.268,463 2.095,464 0.902,465 1.894,466 1.101,467 3.105,468 1.768,469 0.78,470 0.863,472 1.73,473 0.766,474 17.467,475 0.472,476 0.729,477 0.02,478 45.75,479 1.236,480 22.5,481 0.608,482 23.25,483 0.628,484 33.326,485 0.901,486 40.733,487 0.574,488 35.846,489 0.969,490 9.029,491 0.244,492 9.001,493 0.243,494 0.095,496 0.281,501 0.771,502 1.317,503 0.823,504 1.18,505 0.58,506 1.033,507 0.861,508 0.991,509 0.918,510 1.003,511 0.541,512 0.962,513 1.103,514 1.066,515 0.939,516 1.055,517 0.796,518 0.985,519 1.123,520 0.929,521 0.952,522 0.907,523 1.064,524 0.903,525 1.008,526 0.999,527 1.052,528 1.006,529 1.078,530 1.032,531 0.669,532 1.061,533 0.964,534 1.077,535 0.591,536 1.07,537 0.928,538 0.914,539 1.055,540 0.978,541 0.746,542 1.03,543 0.859,544 0.993,545 1.016,546 1.017,547 0.734,548 1.041,549 6.5,550 0.149,551 2.889,552 2.375,553 1.853,554 0.868,555 0.604,556 0.361,557 0.23,558 0.142,559 28010,560 73179,561 2.071,562 47.9,563 6,564 23,567 1,569 4,572 1.769,573 1.965,574 4.153,575 -0.419,582 102.842,583 1.448,584 3.307,585 4.558,586 5.466,587 5.79,588 5.79,589 3.601,590 4.939,591 5.187,592 4.376,593 2914.69,594 9.052,595 55705.2,600 436.632,601 1.283,602 5.153,603 0.162,604 0.006,605 0.055,606 0.043,607 0.037,608 0.02,609 0.015,610 0.011,611 0.007,612 0.005,613 0.361,614 0.17,615 0.75,616 0.91,617 214.281,618 -0.012,619 -0.138,620 0.058,621 -0.075,622 -0.015,623 -0.009,624 0.101,625 0.119,626 0.032,627 0.017,628 0.131,629 0.02,630 -0.058,631 -0.07,632 0.04,633 -0.043,634 0.038,635 0.007,636 0.027,637 0.037,638 0.061,639 0.066,640 0.071,641 0.069,642 -0.074,643 -0.004,644 -0.076,645 -0.015,646 -0.077,647 -0.042,648 0.061,649 -0.09,650 -0.006,651 -0.082,652 0.05,653 -0.059,654 -0.039,655 0.039,656 -0.067,657 -0.01,658 -0.053,659 -0.04,660 -0.019,661 -0.042,662 -0.037,663 -0.039,664 -0.024,665 -0.043,666 2.129,667 5.655,668 0.541,669 50.647,670 1,671 1.122,672 3.301,673 10.9,674 0.654,675 3.714,676 3.989,677 4.22,678 4.466,679 4.691,680 4.762,681 4.852,682 4.963,683 4.99,684 4.89,685 11.057,686 0.62,687 502.66,688 3.714,689 5.231,690 6.057,691 6.913,692 7.758,693 8.626,694 9.483,695 10.359,696 11.224,697 12.106,698 2.8,701 1,705 1,715 11,720 7,722 18,727 1,737 1,739 2,741 71,743 20,744 3,745 40,747 74,748 30,749 18,750 7,751 11,752 1,756 4,757 7,770 5,772 20,773 10,777 2,782 2,786 2,793 34,794 7,795 1,796 7,802 2,808 0.5,809 5,829 4,833 2,855 1,859 2,864 2,868 37,876 8,877 1,878 3,881 1,893 7,896 2,898 3,901 18.833,902 13.2,903 8.361,904 4.463,907 3.422,908 1.417,909 0.961,910 9.722,911 11.623,912 3.951,913 4.472,914 4.985,915 5.527,916 6.049,917 6.26,918 6.585,919 6.935,920 7.196,921 7.353,922 1,923 55,924 13.717,926 5.696,927 0.026,929 7.716,931 26.395,933 21.194,936 2.216,937 82,941 388.446,942 184.934,943 21.135,945 83.29,948 184.934,949 471.736,950 21.135,951 16.793,952 39.487,953 104.239,954 55.423,955 66.654,956 6.763,957 388.446,959 388.446,960 206.069,961 83.29,964 341.362,965 130.374,968 42.612,969 163.458,972 388.446,973 104.425,974 184.934,977 388.446,978 63.903,979 124.156,980 18.011,981 83.29,982 388.446,983 104.425,984 184.934,986 0.565,987 0.321,988 0.172,989 0.095,990 22,991 10,992 0.176,993 13,994 2,995 1.2,996 5.039,997 320.866,998 0.2,999 20,1000 192.75,1005 26.869,1006 13.387,1007 7.653,1009 104.425,1010 20.345,1015 4.689,1017 18.011,1018 677.805,1019 51,1024 24.043,1028 -0.479,1031 70.978,1032 79.687,1034 0.236,1035 0.538,1036 0.741,1037 0.889,1038 0.942,1039 0.942,1040 5.168,1041 1.849,1042 6.009,1043 5.594,1044 4.673,1045 5.159,1046 2.639,1047 6.765,1048 4.602,1049 6.333,1050 1.748,1051 7.528,1052 4.814,1053 4.111,1054 4.832,1055 1.847,1056 7.551,1057 4.007,1058 7.61,1059 1.45,1060 9.148,1061 3.683,1062 6.205,1063 7.253,1064 3.582,1065 10.669,1066 6.071,1067 8.922,1068 1.38,1069 10.832,1070 3.384,1071 6.479,1072 7.753,1073 3.603,1074 12.333,1075 6.327,1076 10.268,1077 1.256,1078 12.559,1079 3.083,1080 8.01,1081 9.648,1082 4.922,1083 14.974,1084 7.837,1085 11.639,1086 1.187,1087 14.317,1088 2.889,1089 8.71,1090 10.56,1091 5.291,1092 17.035,1093 8.533,1094 13.031,1095 0.914,1096 16.099,1097 2.605,1098 10.001,1099 12.218,1100 6.39,1101 19.515,1102 9.809,1103 3.215,1104 0.78,1105 17.901,1106 2.095,1107 10.925,1108 13.35,1109 6.93,1110 21.76,1111 10.733,1112 2.761,1113 11.061,1114 19.719,1115 1.73,1116 12.117,1117 14.889,1118 7.902,1119 24.185,1120 11.916,1121 2.642,1122 8.529,1123 21.55,1124 4.198,1125 13.154,1126 16.144,1127 8.539,1128 26.514,1129 12.954,1130 2.451,1131 7.996,1132 23.393,1133 3.688,1134 14.311,1135 17.622,1136 9.436,1137 28.922,1138 14.104,1139 2.271,1140 6.913,1141 25.246,1142 3.676,1143 15.406,1144 18.946,1145 10.13,1146 31.289,1147 15.199,1148 2.167,1149 6.815,1150 27.107,1151 2.964,1152 16.553,1153 20.392,1154 10.981,1155 33.692,1156 16.341,1157 2.016,1158 6.04,1159 28.975,1160 2.886,1161 17.679,1162 21.757,1163 11.71,1164 36.077,1165 17.463,1166 26503,1167 43062,1168 26.929,1169 46.466,1170 57.874,1171 60.446,1172 59.679,1173 57.508,1174 57.486,1175 72.641,1176 10.723,1177 156.8,1178 55.446,1179 5.517,1180 5.692,1181 6.664,1182 5.3,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.18,1188 17.641,1189 1.447,1190 1.511,1191 1.492,1192 1.438,1193 1.437,1194 1.816,1195 0.268,1196 3.92,1197 1.386,1198 4.049,1199 4.058,1200 4.015,1201 3.966,1202 7.435,1203 3.975,1204 3.941,1205 3.971,1206 3.878,1207 3.858,1208 7.427,1209 3.858,1210 3.795,1211 3.839,1212 3.717,1213 3.713,1214 4.947,1215 3.71,1216 3.748,1217 3.788,1218 3.612,1219 3.638,1220 4.814,1221 3.621,1222 3.596,1223 3.664,1224 3.477,1225 3.408,1226 4.708,1227 3.406,1228 3.519,1229 3.583,1230 3.404,1231 3.218,1232 4.378,1233 3.259,1234 3.368,1235 3.441,1236 3.229,1237 3.165,1238 4.327,1239 3.17,1240 3.208,1241 3.229,1242 3.105,1243 3.054,1244 4.239,1245 3.064,1246 0.114,1247 0.092,1248 0.169,1249 0.105,1250 0.08,1251 4.553,1252 0.105,1253 3.692,1254 0.055,1255 6.774,1256 0.277,1257 4.203,1258 0.08,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.062,1267 2.084,1268 1.392,1269 2.074,1270 1.911,1271 1.885,1272 2.048,1273 2.027,1274 1.21,1275 2.034,1276 1.792,1277 1.757,1278 2.004,1279 1.942,1280 1.164,1281 1.966,1282 1.756,1283 1.707,1284 1.89,1285 1.862,1286 1.104,1287 1.872,1288 1.575,1289 1.505,1290 1.827,1291 1.787,1292 0.976,1293 1.799,1294 1.405,1295 1.337,1296 1.692,1297 1.725,1298 0.854,1299 1.716,1300 1.351,1301 1.272,1302 1.658,1303 1.588,1304 0.683,1305 1.616,1306 1.148,1307 1.126,1308 1.44,1309 1.362,1310 0.663,1311 1.379,1312 4.394,1314 5.68,1316 7.16,1318 8.741,1320 10.383,1322 3.648,1328 7.989,1329 2.454,1330 17.03,1333 2.281,1340 44.046,1341 102.842,1342 234.807,1343 323.585,1344 388.103,1345 411.122,1346 411.122,1347 75.59,1348 8.201,1349 81.01,1350 81.01,1351 24,1352 12.644,1353 4.392,1354 3.585,1355 65.842,1356 256,1357 219,1358 0.121,1359 270.336,1360 482.33,1361 651.379,1362 58076,1364 26.037,1365 0.704,1366 0.581,1367 26.037,1368 21.496,1369 18.029,1370 0.451,1371 0.32,1372 12.609,1373 17.325,1374 12.29,1375 10.269,1376 18.029,1377 12.788,1378 15.594,1379 0.294,1380 0.174,1381 15.594,1382 9.226,1383 12.693,1384 0.189,1385 0.094,1386 12.693,1387 6.268,1388 10.424,1389 0.121,1390 0.05,1391 10.424,1392 4.332,1393 8.31,1394 0.077,1395 0.027,1396 8.31,1397 2.933,1398 0.206,1399 113.126,1400 0.193,1401 35.419,1402 0.293,1403 186,1404 562.656,1405 205.743,1406 530.823,1407 720.75,1408 498,1409 213,1410 525.442,1411 232.112,1412 527.413,1413 769.99,1414 495,1415 9.495}
{0 CHEMBL543711,1 1.296,2 14.929,3 5.402,4 29.184,5 119.087,6 6.653,7 0.581,8 4.094,9 4.232,10 3.581,11 3.671,12 5.07,13 3.616,14 4.644,15 4.842,16 3.869,17 4.06,18 5.524,19 3.969,20 4.934,21 5.189,22 3.885,23 4.189,24 5.715,25 4.053,26 4.962,27 5.242,28 3.712,29 4.118,30 5.692,31 3.949,32 4.902,33 5.203,34 3.576,35 4.005,36 5.601,37 3.826,38 4.748,39 5.045,40 3.423,41 3.868,42 5.437,43 3.686,44 4.614,45 4.9,46 3.333,47 3.761,48 5.3,49 3.584,50 4.561,51 4.849,52 3.289,53 3.699,54 5.267,55 3.527,56 0.087,57 0.822,58 12.81,59 5.276,60 10.457,61 7.532,62 0.177,63 1.347,64 23.006,65 8.709,66 18.168,67 12.771,68 0.241,69 1.671,70 31.457,71 11.705,72 26.365,73 17.371,74 0.242,75 1.655,76 32.726,77 11.79,78 28.167,79 17.729,80 0.246,81 1.521,82 31.1,83 10.966,84 27.761,85 16.61,86 0.232,87 1.305,88 26.584,89 9.57,90 23.223,91 14.362,92 0.165,93 1.148,94 23.043,95 8.461,96 17.952,97 12.671,98 0.197,99 1.096,100 21.958,101 7.822,102 19.06,103 11.759,105 40,106 0.213,107 0.503,108 0.688,109 0.832,110 0.878,111 0.884,112 3.373,113 0.997,114 -5.95,115 -5.8,116 -5.4,121 42.9,123 4,127 4,144 11,145 3,148 1,149 1,168 1,176 16,180 6,183 1,185 2,187 16,192 8,195 1,197 2,200 11,206 8,211 1,214 8,219 6,224 1,227 9,232 3,235 1,237 2,239 9,244 1,249 2,251 7,255 1,256 1,261 3,264 6,268 1,269 1,274 2,277 6,281 1276,282 19.69,283 19.69,284 19.69,285 19.69,286 19.69,287 17.526,288 18.371,289 12.236,290 19.939,291 15.375,292 15.375,293 15.375,294 15.375,295 15.375,296 12.249,297 25.084,298 5.89,299 15.771,300 4.512,301 2.743,302 1.619,303 0.743,304 0.464,305 0.429,306 4.081,311 1,312 1,313 926,314 3,318 381.049,322 147.921,325 2.296,326 10.301,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 58,338 418,339 4.244,340 3.205,341 6.183,342 3.908,343 2.923,344 3.889,345 0.916,346 9.226,347 2.883,348 4.228,349 2.886,350 6.143,351 3.851,352 2.87,353 3.815,354 0.4,355 9.054,356 2.816,357 3.8,358 2.585,359 5.327,360 3.391,361 2.44,362 3.302,363 0.172,364 6.919,365 2.318,366 3.388,367 2.568,368 5.257,369 3.24,370 2.303,371 2.589,373 6.678,374 2.152,375 3.271,376 1.915,377 4.448,378 2.827,379 1.848,380 2.443,382 4.524,383 1.807,384 2.928,385 1.887,386 4.415,387 2.678,388 1.691,389 2.077,391 4.371,392 1.667,393 2.865,394 1.723,395 3.788,396 2.614,397 1.618,398 1.988,400 3.507,401 1.612,402 2.737,403 1.483,404 3.617,405 2.411,406 1.416,407 1.777,409 3.015,410 1.408,411 2.622,412 1.282,413 3.509,414 2.196,415 1.213,416 1.657,418 2.733,419 1.191,420 2.5,421 1.096,422 3.414,423 2.013,424 1.038,425 1.5,427 2.284,428 1.01,429 2.5,430 1,431 3.314,432 2,433 1,434 1.5,436 2.275,437 1,438 2.14,439 1,440 3.247,441 1.983,442 1,443 1.123,445 2.136,446 0.982,447 1.889,448 0.795,449 3.15,450 1.682,451 0.697,452 0.809,454 1.598,455 0.686,456 1.469,457 0.524,458 2.821,459 1.326,460 0.364,461 0.391,463 0.822,464 0.349,465 1.07,466 0.005,467 2.444,468 0.829,469 -0.148,470 -0.168,472 -0.346,473 -0.144,474 13.6,475 0.486,476 0.376,477 0.013,478 35.75,479 1.277,480 18.5,481 0.661,482 17.25,483 0.616,484 22.528,485 0.805,486 29.6,487 0.529,488 22.504,489 0.804,490 6.893,491 0.246,492 6.989,493 0.25,496 0.213,501 0.825,502 1.215,503 0.899,504 1.071,505 0.723,506 1.005,507 1.176,508 1.162,509 1.06,510 1.081,511 0.82,512 1.065,513 1.046,514 1.064,515 1.008,516 1.027,517 0.84,518 1.017,519 1.17,520 1.069,521 1.065,522 1.042,523 1.043,524 1.044,525 1.189,526 0.932,527 0.984,528 0.909,529 1.066,530 0.926,531 1.108,532 0.88,533 1.01,534 0.923,535 1.065,536 0.953,537 1.053,538 1.029,539 1.022,540 1.018,541 1.038,542 1.018,543 1.16,544 0.938,545 1.042,546 0.963,547 1.136,548 0.987,549 3.5,550 0.049,551 2.222,552 0.75,553 0.809,554 0.458,555 0.3,556 0.115,557 0.131,558 0.082,559 13457,560 27196,561 2.182,562 50,563 2,564 19,567 1,569 6,572 1.697,573 2.154,574 3.843,575 -0.429,582 72.567,583 1.296,584 3.064,585 4.188,586 5.064,587 5.343,588 5.379,589 3.271,590 4.236,591 4.783,592 4.033,593 1524.36,594 8.242,595 22796.6,600 325.212,601 0.75,602 4.784,603 0.113,604 0.002,605 0.056,606 0.019,607 0.026,608 0.017,609 0.013,610 0.005,611 0.007,612 0.004,613 0.262,614 0.33,615 0.88,617 147.549,618 0.181,619 -0.036,620 0.07,621 -0.009,622 0.202,623 0.016,624 -0.02,625 -0.048,626 -0.074,627 -0.074,628 0.077,629 -0.078,630 0.015,631 -0.051,632 -0.022,633 -0.045,634 0.1,635 -0.038,636 -0.083,637 -0.093,638 -0.074,639 -0.081,640 -0.026,641 -0.078,642 -0.075,643 0.018,644 0.013,645 0.037,646 -0.02,647 0.033,648 -0.024,649 0.073,650 -0.017,651 0.029,652 -0.055,653 0.011,654 -0.05,655 -0.074,656 -0.036,657 -0.052,658 -0.087,659 -0.045,660 -0.017,661 0.035,662 -0.045,663 -0.013,664 -0.128,665 -0.028,666 0.813,667 1.324,668 0.786,669 31.684,670 0.982,671 1.125,672 4.719,673 22.268,674 0.664,675 3.466,676 3.714,677 3.951,678 4.159,679 4.382,680 4.317,681 4.382,682 4.394,683 4.407,684 4.277,685 8.741,686 0.614,687 372.56,688 3.466,689 4.963,690 5.784,691 6.619,692 7.453,693 8.294,694 9.133,695 9.977,696 10.819,697 11.664,698 7.1,701 1,703 1,708 2,715 11,716 2,720 5,722 18,734 1,741 56,743 18,744 2,745 31,747 59,748 24,749 16,750 3,751 9,756 4,757 5,767 1,770 4,772 16,773 8,793 28,794 4,795 1,796 4,802 4,808 0.75,821 1,829 4,833 1,855 1,859 3,868 28,876 8,877 1,881 1,901 13,902 9.767,903 6.306,904 3.641,907 3.098,908 1.413,909 1,910 6.439,911 10.606,912 3.714,913 4.227,914 4.751,915 5.259,916 5.781,917 5.795,918 6.117,919 6.345,920 6.544,921 6.602,922 0.9,923 39,924 10.353,926 4.263,927 0.026,929 7.387,931 20.677,933 17.051,936 1.887,937 52.833,941 317.82,942 137.441,943 54.461,948 137.441,949 317.82,950 54.461,952 18.561,953 104.239,954 51.337,955 15.438,956 2.328,957 317.82,959 317.82,960 191.902,964 247.193,965 70.627,968 24.442,969 116.123,970 51.337,972 317.82,973 54.461,974 137.441,977 317.82,978 33.202,979 107.363,980 18.011,981 33.326,982 317.82,983 54.461,984 137.441,986 0.559,987 0.32,988 0.174,989 0.097,990 18,991 6,992 0.136,993 8,994 1,995 1.091,996 4.388,997 220.687,998 0.091,999 22,1000 130.606,1005 18.801,1006 9.59,1007 5.261,1009 54.461,1010 23.053,1011 8.623,1015 5.902,1017 18.011,1018 509.722,1019 40,1031 55.01,1032 62.976,1034 0.223,1035 0.528,1036 0.721,1037 0.872,1038 0.92,1039 0.926,1040 4.902,1041 1.416,1042 5.7,1043 3.507,1044 4.394,1045 4.913,1046 1.038,1047 6.409,1048 4.345,1049 6.04,1050 1.213,1051 7.183,1052 3.015,1053 3.611,1054 4.311,1055 0.325,1056 7.081,1057 3.516,1058 7.29,1059 1.038,1060 8.768,1061 2.733,1062 5.878,1063 6.978,1064 0.697,1065 10.167,1066 5.778,1067 8.575,1068 1,1069 10.418,1070 2.284,1071 5.994,1072 7.264,1073 0.393,1074 11.74,1075 5.857,1076 9.897,1077 1,1078 12.111,1079 2.275,1080 7.628,1081 9.332,1082 0.537,1083 14.275,1084 7.485,1085 11.245,1086 0.697,1087 13.836,1088 2.136,1089 8.2,1090 10.065,1091 0.384,1092 16.212,1093 8.034,1094 12.613,1095 0.364,1096 15.582,1097 1.598,1098 9.533,1099 11.832,1100 0.438,1101 18.549,1102 9.358,1103 2.923,1104 -0.148,1105 17.343,1106 0.822,1107 10.344,1108 12.812,1109 0.351,1110 20.64,1111 10.154,1112 2.87,1113 9.226,1114 19.116,1115 -0.346,1116 11.531,1117 14.41,1118 0.366,1119 22.901,1120 11.33,1121 2.44,1122 9.054,1123 20.897,1124 3.889,1125 12.466,1126 15.534,1127 0.312,1128 25.059,1129 12.252,1130 2.303,1131 6.919,1132 22.685,1133 3.815,1134 13.584,1135 17.032,1136 0.309,1137 27.291,1138 13.358,1139 1.848,1140 6.678,1141 24.478,1142 3.302,1143 14.581,1144 18.244,1145 0.273,1146 29.479,1147 14.344,1148 1.691,1149 4.524,1150 26.276,1151 2.589,1152 15.667,1153 19.682,1154 0.262,1155 31.699,1156 15.418,1157 1.618,1158 4.371,1159 28.077,1160 2.443,1161 16.696,1162 20.947,1163 0.236,1164 33.901,1165 16.435,1166 12366,1167 17725,1168 21.841,1169 37.16,1170 45.034,1171 44.865,1172 45.008,1173 44.874,1174 44.84,1175 57.719,1176 2.978,1177 118.281,1178 43.761,1179 5.2,1180 5.205,1181 6.008,1182 4.95,1183 4.923,1184 6.889,1185 1.605,1186 15.535,1187 4.883,1189 1.453,1190 1.447,1191 1.452,1192 1.448,1193 1.446,1194 1.862,1195 0.096,1196 3.816,1197 1.412,1198 4.013,1199 4.055,1200 3.945,1201 3.935,1202 5.054,1203 3.931,1204 3.962,1205 3.998,1206 3.906,1207 3.887,1208 4.746,1209 3.886,1210 3.766,1211 3.824,1212 3.675,1213 3.632,1214 4.701,1215 3.633,1216 3.676,1217 3.734,1218 3.551,1219 3.546,1220 4.254,1221 3.541,1222 3.493,1223 3.566,1224 3.352,1225 3.331,1226 4.144,1227 3.326,1228 3.272,1229 3.354,1230 3.097,1231 3.108,1232 3.897,1233 3.093,1234 3.097,1235 3.178,1236 2.931,1237 2.949,1238 3.872,1239 2.935,1240 2.951,1241 3.021,1242 2.814,1243 2.83,1244 3.729,1245 2.821,1246 0.137,1247 0.103,1248 0.199,1249 0.126,1250 0.094,1251 4.244,1252 0.125,1253 3.205,1254 0.03,1255 6.183,1256 0.298,1257 3.908,1258 0.093,1259 2.923,1260 3.889,1261 0.916,1262 9.226,1263 2.883,1264 1.98,1265 1.948,1266 2.111,1267 2.086,1268 1.394,1269 2.097,1270 1.941,1271 1.912,1272 2.045,1273 2.045,1274 1.293,1275 2.044,1276 1.755,1277 1.696,1278 1.982,1279 1.919,1280 1.115,1281 1.942,1282 1.659,1283 1.608,1284 1.807,1285 1.819,1286 0.981,1287 1.824,1288 1.485,1289 1.416,1290 1.718,1291 1.677,1292 0.854,1293 1.696,1294 1.286,1295 1.209,1296 1.589,1297 1.495,1298 0.786,1299 1.531,1300 1.111,1301 1.039,1302 1.415,1303 1.321,1304 0.657,1305 1.358,1306 0.953,1307 0.895,1308 1.234,1309 1.157,1310 0.44,1311 1.189,1312 4.143,1314 5.407,1316 6.876,1318 8.437,1320 10.045,1328 9.281,1329 3.388,1333 2.587,1340 34.407,1341 72.567,1342 171.595,1343 234.529,1344 283.602,1345 299.212,1346 301.212,1347 34.283,1348 7.508,1349 41.05,1350 41.05,1351 24,1352 12.226,1353 4.248,1354 3.322,1355 43.105,1356 152,1357 118,1358 0.134,1359 212.244,1360 361.86,1361 509.635,1362 23469,1364 19.02,1365 0.679,1366 0.584,1367 19.02,1368 16.349,1369 13.882,1370 0.448,1371 0.332,1372 10.225,1373 13.577,1374 10.009,1375 8.327,1376 13.882,1377 10.305,1378 11.654,1379 0.291,1380 0.186,1381 11.654,1382 7.452,1383 9.831,1384 0.193,1385 0.106,1386 9.831,1387 5.401,1388 8.006,1389 0.127,1390 0.06,1391 8.006,1392 3.788,1393 6.641,1394 0.084,1395 0.034,1396 6.641,1397 2.702,1398 0.225,1399 85.268,1400 0.214,1401 28.117,1402 0.328,1403 142,1404 315.268,1405 149.299,1406 318.393,1407 449.97,1408 302,1409 162,1410 341.265,1411 170.271,1412 349.957,1413 504.34,1414 331,1415 4.328}
{0 CHEMBL544126,1 1.403,2 15.548,3 5.336,4 28.477,5 124.461,6 6.862,7 0.545,8 4.172,9 4.292,10 3.664,11 3.706,12 5.233,13 3.669,14 4.696,15 4.879,16 3.945,17 4.054,18 5.739,19 3.987,20 4.916,21 5.12,22 3.935,23 4.178,24 5.84,25 4.071,26 5.01,27 5.263,28 3.869,29 4.149,30 5.881,31 4.021,32 4.923,33 5.149,34 3.864,35 4.148,36 5.834,37 4.024,38 4.981,39 5.232,40 3.827,41 4.141,42 5.838,43 4,44 4.931,45 5.183,46 3.709,47 4.041,48 5.793,49 3.897,50 4.809,51 5.062,52 3.605,53 3.931,54 5.643,55 3.785,56 0.039,57 0.816,58 13.479,59 5.873,60 9.391,61 7.835,62 0.404,63 1.286,64 24.53,65 9.213,66 37.698,67 12.685,68 0.253,69 1.512,70 30.824,71 12.157,72 35.547,73 16.466,74 0.412,75 1.594,76 35.16,77 12.812,78 49.037,79 17.916,80 0.327,81 1.514,82 31.44,83 12.094,84 40.465,85 16.732,86 0.267,87 1.572,88 33.604,89 12.84,90 41.032,91 18.034,92 0.423,93 1.473,94 32.567,95 11.722,96 47.553,97 16.379,98 0.243,99 1.312,100 28.45,101 10.56,102 33.072,103 14.875,104 13,105 42,106 0.227,107 0.511,108 0.695,109 0.821,110 0.873,111 0.885,112 3.47,113 0.959,114 -5.08,115 -4.98,116 -4.66,121 42.6,123 2,126 2,127 3,144 13,145 3,146 2,161 1,176 16,179 1,180 7,183 2,187 19,192 6,200 14,205 1,206 6,211 2,214 12,218 1,219 4,224 2,227 12,232 6,237 1,239 9,243 1,244 7,247 1,251 5,256 4,264 5,268 1,269 3,274 1,277 8,281 1768,282 21.162,283 21.162,284 21.162,285 21.162,286 21.162,287 18.809,288 28.066,289 13.106,290 21.601,291 16.31,292 16.31,293 16.31,294 16.31,295 16.31,296 12.806,297 37.972,298 6.274,299 16.946,300 4.527,301 2.77,302 1.627,303 0.85,304 0.529,305 0.451,306 4.158,311 1,312 1,313 1017,314 4.062,318 360.881,325 2.337,326 19.255,329 1,330 0.83,331 0.83,332 1,333 0.5,334 0.83,335 0.5,336 0.79,337 66,338 482,339 4.114,340 3.66,341 5.684,342 3.741,343 2.762,344 3.707,345 2.186,346 8.011,347 2.721,348 4.104,349 3.046,350 5.681,351 3.723,352 2.754,353 3.688,354 0.916,355 7.996,356 2.661,357 3.853,358 2.984,359 5.327,360 3.438,361 2.468,362 3.407,363 0.86,364 6.946,365 2.401,366 3.672,367 2.779,368 5.29,369 3.378,370 2.443,371 2.886,372 0.68,373 6.814,374 2.259,375 3.383,376 2.63,377 4.867,378 3.12,379 2.165,380 2.602,381 0.366,382 5.612,383 2.046,384 3.334,385 2.26,386 4.846,387 2.965,388 2.005,389 2.513,390 0.172,391 5.553,392 1.913,393 3.08,394 2.16,395 4.584,396 2.762,397 1.79,398 2.167,400 4.811,401 1.729,402 2.872,403 1.664,404 3.623,405 2.44,406 1.457,407 2.03,409 3.087,410 1.431,411 2.679,412 1.473,413 3.554,414 2.315,415 1.345,416 1.755,418 2.914,419 1.297,420 2.658,421 1.279,422 3.49,423 2.185,424 1.192,425 1.728,427 2.619,428 1.182,429 2.5,430 1.206,431 3.452,432 2.141,433 1.152,434 1.5,436 2.536,437 1.137,438 2.393,439 1.101,440 3.247,441 2,442 1,443 1.386,445 2.136,446 1,447 1.508,448 1,449 2.962,450 1.325,451 0.409,452 0.438,454 0.934,455 0.371,456 1.507,457 0.716,458 2.822,459 1.298,460 0.382,461 0.408,463 0.558,464 0.345,465 1.292,466 0.629,467 2.782,468 1,474 14.8,475 0.477,476 0.553,477 0.018,478 39.5,479 1.274,480 20.5,481 0.661,482 19,483 0.613,484 24.668,485 0.796,486 33.8,487 0.554,488 29.735,489 0.959,490 8.261,491 0.266,492 6.857,493 0.221,494 0.09,496 0.23,501 0.818,502 1.317,503 0.869,504 1.163,505 0.649,506 1.04,507 0.928,508 0.931,509 0.991,510 0.95,511 0.568,512 0.961,513 1.157,514 1.153,515 1.107,516 1.161,517 0.884,518 1.137,519 1.116,520 0.907,521 0.966,522 0.904,523 1.019,524 0.916,525 1.022,526 1.058,527 1.066,528 1.066,529 0.986,530 1.075,531 0.9,532 1.072,533 0.972,534 1.06,535 0.772,536 1.034,537 1.165,538 0.948,539 1.089,540 0.992,541 1.041,542 1.028,543 1.004,544 1.127,545 1.031,546 1.1,547 0.728,548 1.076,549 6,550 0.128,551 1.556,552 1.688,553 0.996,554 0.563,555 0.544,556 0.28,557 0.218,558 0.093,559 15519,560 38455,561 2.05,562 49.2,563 2,564 25,567 1,570 2,572 1.729,573 1.958,574 3.916,575 -0.425,582 85.602,583 1.403,584 3.161,585 4.304,586 5.08,587 5.402,588 5.48,589 3.373,590 4.567,591 4.928,592 4.095,593 1904.05,594 8.564,595 30402.8,600 361.775,601 1.191,602 4.904,603 0.182,604 0.006,605 0.037,606 0.042,607 0.027,608 0.015,609 0.016,610 0.009,611 0.008,612 0.004,613 0.345,614 0.33,615 0.88,616 0.965,617 167.885,619 -0.145,620 0.053,621 -0.075,622 -0.027,623 -0.015,624 0.162,625 0.183,626 -0.012,627 0.054,628 0.177,629 0.013,630 -0.098,631 -0.146,632 -0.133,633 -0.142,634 -0.06,635 -0.143,636 -0.034,637 0.053,638 0.034,639 0.067,640 -0.012,641 0.059,642 -0.041,643 -0.06,644 -0.091,645 -0.065,646 -0.067,647 -0.084,648 -0.019,649 -0.11,651 -0.07,652 -0.003,653 -0.039,654 -0.044,655 0.02,656 -0.086,657 -0.031,658 -0.082,659 -0.061,660 -0.041,661 -0.167,662 -0.048,663 -0.123,664 -0.006,665 -0.093,666 2.129,667 4.361,668 0.581,669 37.392,670 0.993,671 1.122,672 3.849,673 14.817,674 0.656,675 3.526,676 3.761,677 3.912,678 4.111,679 4.263,680 4.205,681 4.248,682 4.317,683 4.248,684 4.22,685 9.018,686 0.616,687 418.58,688 3.526,689 5.017,690 5.808,691 6.635,692 7.438,693 8.27,694 9.077,695 9.911,696 10.722,697 11.557,698 3.3,701 1,705 1,715 13,720 5,722 18,737 1,739 1,741 61,743 19,744 3,745 33,747 63,748 26,749 18,750 5,751 13,756 3,757 3,770 2,772 19,773 7,777 1,782 1,786 1,793 30,794 5,795 1,796 5,802 2,808 1,809 3,829 3,855 1,859 3,864 2,868 31,876 5,877 1,878 2,881 1,893 4.9,896 1,898 2,901 15.833,902 11.283,903 7.083,904 3.56,907 3.15,908 1.432,909 0.954,910 8.949,911 10.448,912 3.784,913 4.284,914 4.721,915 5.225,916 5.697,917 5.657,918 5.874,919 6.206,920 6.29,921 6.472,922 1,923 40,924 11.429,926 4.578,927 0.026,929 7.629,931 22.123,933 17.271,936 2.129,937 66,941 341.362,942 180.663,943 21.135,945 47.145,948 180.663,949 388.507,950 21.135,951 16.793,952 31.884,953 123.191,954 25.145,955 45.168,956 6.763,957 341.362,959 341.362,960 201.798,961 47.145,964 317.82,965 70.687,968 35.008,969 166.79,972 341.362,973 68.28,974 180.663,977 341.362,978 40.679,979 143.108,980 18.011,981 47.145,982 341.362,983 68.28,984 180.663,986 0.557,987 0.305,988 0.161,989 0.087,990 16,991 7,992 0.175,993 11,995 1,996 4.492,997 245.207,999 18,1000 149.58,1005 22.858,1006 12.137,1007 8.082,1009 68.28,1010 26.361,1015 5.1,1017 18.011,1018 590.305,1019 43,1024 11.361,1028 -0.463,1031 60.556,1032 68.438,1034 0.237,1035 0.533,1036 0.726,1037 0.857,1038 0.911,1039 0.924,1040 4.966,1041 1.457,1042 5.733,1043 4.811,1044 4.443,1045 4.97,1046 2.598,1047 6.402,1048 4.371,1049 6.115,1050 1.345,1051 7.195,1052 3.087,1053 3.761,1054 4.46,1055 1.847,1056 6.934,1057 3.642,1058 7.364,1059 1.192,1060 8.745,1061 2.914,1062 5.9,1063 7.006,1064 3.563,1065 9.974,1066 5.76,1067 8.641,1068 1.152,1069 10.344,1070 2.619,1071 5.994,1072 7.244,1073 3.603,1074 11.285,1075 5.802,1076 9.944,1077 1,1078 11.975,1079 2.536,1080 7.573,1081 9.286,1082 4.918,1083 13.792,1084 7.374,1085 11.266,1086 0.409,1087 13.626,1088 2.136,1089 8.064,1090 9.911,1091 5.291,1092 15.464,1093 7.818,1094 12.602,1095 0.382,1096 15.292,1097 0.934,1098 9.369,1099 11.692,1100 6.389,1101 17.74,1102 9.118,1103 2.762,1105 16.968,1106 0.558,1107 10.082,1108 12.548,1109 6.93,1110 19.6,1111 9.79,1112 2.754,1113 8.011,1114 18.651,1116 11.242,1117 14.168,1118 7.902,1119 21.766,1120 10.944,1121 2.468,1122 7.996,1123 20.341,1124 3.707,1125 12.081,1126 15.172,1127 8.539,1128 23.726,1129 11.748,1130 2.443,1131 6.946,1132 22.037,1133 3.688,1134 13.164,1135 16.688,1136 9.436,1137 25.841,1138 12.823,1139 2.165,1140 6.814,1141 23.736,1142 3.407,1143 14.076,1144 17.789,1145 10.13,1146 27.854,1147 13.704,1148 2.005,1149 5.612,1150 25.439,1151 2.886,1152 15.119,1153 19.235,1154 10.981,1155 29.945,1156 14.736,1157 1.79,1158 5.553,1159 27.144,1160 2.602,1161 16.072,1162 20.402,1163 11.71,1164 31.986,1165 15.662,1166 15023,1167 23792,1168 22.246,1169 40.034,1170 46.831,1171 48.194,1172 48.057,1173 46.662,1174 46.649,1175 60.431,1176 10.363,1177 121.052,1178 44.985,1179 5.047,1180 5.66,1181 5.486,1182 4.806,1183 4.762,1184 6.707,1185 3.889,1186 13.773,1187 4.721,1188 13.412,1189 1.419,1190 1.46,1191 1.456,1192 1.414,1193 1.414,1194 1.831,1195 0.314,1196 3.668,1197 1.363,1198 3.997,1199 4.025,1200 3.929,1201 3.933,1202 7.435,1203 3.927,1204 3.931,1205 3.959,1206 3.869,1207 3.854,1208 4.868,1209 3.853,1210 3.822,1211 3.85,1212 3.751,1213 3.755,1214 4.809,1215 3.75,1216 3.665,1217 3.73,1218 3.536,1219 3.486,1220 4.728,1221 3.485,1222 3.528,1223 3.589,1224 3.435,1225 3.218,1226 4.365,1227 3.262,1228 3.348,1229 3.423,1230 3.192,1231 3.134,1232 4.3,1233 3.136,1234 3.163,1235 3.225,1236 3.016,1237 3.055,1238 4.184,1239 3.038,1240 3.031,1241 3.085,1242 2.855,1243 2.816,1244 4.015,1245 2.809,1246 0.125,1247 0.111,1248 0.172,1249 0.113,1250 0.084,1251 4.114,1252 0.112,1253 3.66,1254 0.066,1255 5.684,1256 0.243,1257 3.741,1258 0.082,1259 2.762,1260 3.707,1261 2.186,1262 8.011,1263 2.721,1264 1.969,1265 1.944,1266 2.087,1267 2.05,1268 1.259,1269 2.062,1270 1.91,1271 1.885,1272 2.032,1273 2.021,1274 1.235,1275 2.026,1276 1.823,1277 1.798,1278 1.952,1279 1.922,1280 1.115,1281 1.933,1282 1.642,1283 1.575,1284 1.877,1285 1.842,1286 1.006,1287 1.854,1288 1.404,1289 1.336,1290 1.691,1291 1.731,1292 0.782,1293 1.718,1294 1.322,1295 1.244,1296 1.633,1297 1.576,1298 0.681,1299 1.598,1300 1.188,1301 1.131,1302 1.445,1303 1.346,1304 0.615,1305 1.383,1306 1.004,1307 0.931,1308 1.355,1309 1.265,1310 0.497,1311 1.281,1312 4.205,1314 5.46,1316 6.893,1318 8.404,1320 9.956,1322 3.619,1328 4.179,1329 2.451,1330 11.161,1333 2.23,1340 37.562,1341 85.602,1342 192.809,1343 262.55,1344 309.901,1345 329.51,1346 334.265,1347 51.454,1348 7.298,1349 50.8,1350 50.8,1351 18,1352 12.132,1353 4.322,1354 3.459,1355 58.755,1356 172,1357 150,1358 0.162,1359 234.294,1360 410.55,1361 563.439,1362 17647,1364 21.891,1365 0.706,1366 0.588,1367 21.891,1368 18.213,1369 15.119,1370 0.458,1371 0.32,1372 10.412,1373 14.596,1374 10.083,1375 8.471,1376 15.119,1377 10.549,1378 12.912,1379 0.307,1380 0.179,1381 12.912,1382 7.537,1383 9.902,1384 0.202,1385 0.099,1386 9.902,1387 4.868,1388 7.952,1389 0.133,1390 0.056,1391 7.952,1392 3.357,1393 6.149,1394 0.088,1395 0.031,1396 6.149,1397 2.17,1398 0.269,1399 94.268,1400 0.212,1401 30.348,1402 0.405,1403 150,1404 425.185,1405 163.432,1406 408.609,1407 552.99,1408 384,1409 166,1410 396.533,1411 178.135,1412 404.184,1413 577.99,1414 377,1415 7.607}
{0 CHEMBL544165,1 1.604,2 9.048,3 4.102,4 16.828,5 83.622,6 7.67,7 0.273,8 3.763,9 3.882,10 3.346,11 3.289,12 4.86,13 3.257,14 4.316,15 4.505,16 3.713,17 3.667,18 5.382,19 3.607,20 4.535,21 4.737,22 3.811,23 3.813,24 5.552,25 3.726,26 4.619,27 4.819,28 3.822,29 3.796,30 5.732,31 3.701,32 4.543,33 4.773,34 3.599,35 3.671,36 5.599,37 3.557,38 4.284,39 4.473,40 3.592,41 3.563,42 5.448,43 3.47,44 4.289,45 4.502,46 3.491,47 3.52,48 5.406,49 3.392,50 4.201,51 4.424,52 3.234,53 3.368,54 5.322,55 3.222,56 0.02,57 0.546,58 8.138,59 3.65,60 8.584,61 4.827,62 0.333,63 0.866,64 16.856,65 5.955,66 27.434,67 8.253,68 0.182,69 1.001,70 22.847,71 8.01,72 28.706,73 10.701,74 0.435,75 0.987,76 28.123,77 8.538,78 59.072,79 10.89,80 0.455,81 0.889,82 27.888,83 7.961,84 54.225,85 10.503,86 0.301,87 0.749,88 19.398,89 6.3,90 40.143,91 8.243,92 0.24,93 0.732,94 20.013,95 6.565,96 36.199,97 8.678,98 0.281,99 0.633,100 21.582,101 5.72,102 49.316,103 7.49,104 39,105 30,106 0.289,107 0.667,108 0.87,109 0.879,110 0.879,111 0.879,112 3.103,113 1.004,114 -4.28,115 -4.22,116 -3.98,121 40,122 1,123 2,126 1,127 2,129 1,142 1,143 1,144 2,145 2,146 2,161 1,176 5,179 3,180 3,185 3,187 8,192 1,197 4,200 6,206 8,214 5,219 4,222 1,224 2,227 5,232 4,239 5,244 5,247 2,251 3,256 1,264 4,269 2,274 1,277 2,281 537,282 14.016,283 14.016,284 14.016,285 14.016,286 14.016,287 12.927,288 20.352,289 8.33,290 14.446,291 10.726,292 10.726,293 10.726,294 10.726,295 10.726,296 8.892,297 25.229,298 3.806,299 11.4,300 3.718,301 1.615,302 0.488,303 0.438,304 0.438,305 0.438,306 3.758,308 1,311 1,312 1,313 383,314 3.674,317 48.462,318 54.909,321 86.602,325 1.392,326 22.037,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 45.333,338 190,339 4.486,340 3.776,341 6.705,342 4.151,343 3.178,344 4.139,345 2.208,346 10.869,347 3.087,348 3.941,349 3.476,350 5.912,351 3.665,352 2.738,353 3.162,354 0.911,355 8.152,356 2.517,357 3.612,358 2.869,359 5.628,360 3.316,361 2.385,362 2.815,363 0.655,364 7.304,365 2.198,366 3.48,367 2.554,368 5.243,369 3.064,370 2.134,371 2.67,372 0.44,373 6.465,374 1.965,375 3.408,376 2.426,377 4.498,378 2.55,379 1.608,380 2.086,381 0.13,382 4.237,383 1.491,384 2.687,385 2.134,386 3.941,387 2.27,388 1.301,389 1.599,391 3.106,392 1.248,393 2.527,394 1.768,395 3.654,396 2.192,397 1.214,398 1.462,400 2.573,401 1.17,402 2.134,403 1.366,404 3.415,405 1.945,406 0.992,407 1.078,409 2.302,410 0.901,411 1.757,412 0.712,413 2.794,414 1.213,415 0.265,416 0.341,418 0.455,419 0.247,420 1.202,421 0.57,422 2.652,423 1.119,424 0.159,425 0.166,427 0.216,428 0.151,429 1.147,430 0.376,431 2.441,432 0.745,433 -0.219,434 -0.279,436 -0.501,437 -0.194,438 0.951,439 0.128,440 2.094,441 0.468,442 -0.383,443 -0.476,445 -0.962,446 -0.28,447 0.612,448 -0.31,449 2,450 0.204,451 -0.777,452 -1.022,454 -1.732,455 -0.754,456 0.178,457 -0.522,458 1.744,459 -0.148,460 -1.137,461 -1.36,463 -2.615,464 -1.025,465 -0.054,466 -0.888,467 1.396,468 -0.356,469 -1.271,470 -1.407,472 -2.842,473 -1.118,474 10.181,475 0.485,476 0.524,477 0.025,478 23.25,479 1.107,480 10,481 0.476,482 13.25,483 0.631,484 18.43,485 0.878,486 23.419,487 0.585,488 16.322,489 0.777,490 4.597,491 0.219,492 5.465,493 0.26,494 0.25,496 0.334,501 0.748,502 1.439,503 0.66,504 1.092,505 0.613,506 1.004,507 0.661,508 0.949,509 0.686,510 0.795,511 0.453,512 0.833,513 0.994,514 1.159,515 0.877,516 1.039,517 0.747,518 0.997,519 1.494,520 1.03,521 1.121,522 1.023,523 1.451,524 1.019,525 1.375,526 0.837,527 1.175,528 0.931,529 1.439,530 0.917,531 1.032,532 1.075,533 0.986,534 1.091,535 0.978,536 1.053,537 0.978,538 1.081,539 1.131,540 1.112,541 1.138,542 1.097,543 1.535,544 0.969,545 1.688,546 1.133,547 1.622,548 1.127,549 4.5,550 0.033,551 2.667,552 1.569,553 1.209,554 0.591,555 0.549,556 0.396,557 0.177,558 0.085,559 3769,560 11145,561 1.941,562 47.5,563 2,564 10,565 1,567 1,569 5,572 1.635,573 1.775,574 3.155,575 -0.291,577 1,582 64.167,583 1.604,584 3.707,585 4.834,586 4.884,587 4.884,588 4.884,589 2.684,590 4.107,591 4.357,592 3.271,593 687.004,594 7.485,595 7275.62,597 1,598 1,599 1,600 212.877,601 1.545,602 4.294,603 0.205,604 0.007,605 0.089,606 0.051,607 0.043,608 0.025,609 0.024,610 0.02,611 0.012,612 0.011,613 0.485,614 0.33,615 1,616 1.88,617 94.586,618 -0.031,619 -0.213,620 0.022,621 -0.088,622 -0.029,623 -0.029,624 0.231,625 0.192,626 0.096,627 0.147,628 0.164,629 0.109,630 -0.058,631 -0.125,632 0.029,633 -0.058,634 0.005,635 -0.025,636 -0.132,637 -0.073,638 -0.052,639 -0.04,640 -0.146,641 -0.07,642 -0.093,643 0.08,644 -0.062,645 0.051,646 -0.161,647 0.045,648 0.056,649 -0.074,650 0.015,651 -0.082,652 -0.002,653 -0.074,654 0.032,655 -0.108,656 -0.032,657 -0.1,658 -0.043,659 -0.109,660 -0.293,661 -0.022,662 -0.306,663 -0.11,664 -0.138,665 -0.154,666 2.056,667 4.827,668 0.429,669 17.32,670 1.003,671 1.127,672 3.049,673 9.298,674 0.666,675 3.135,676 3.434,677 3.689,678 3.912,679 4.078,680 4.205,681 4.29,682 4.369,683 4.205,684 4.025,685 5.297,686 0.626,687 306.82,688 3.135,689 4.654,690 5.493,691 6.365,692 7.232,693 8.116,694 8.996,695 9.887,696 10.773,697 11.667,698 5,700 1,705 1,715 2,720 4,722 6,737 1,740 1,741 40,743 8,744 1,745 22,747 41,748 16,749 6,750 4,751 2,756 2,757 3,758 1,763 1,767 3,770 3,771 2,772 7,773 7,777 1,782 1,786 1,790 1,793 19,794 4,795 1,796 5,797 1,802 2,808 0.5,809 2,828 1,829 1,832 1,836 1,837 1,853 1,859 1,864 2,865 1,868 21,876 4,877 1,878 1,880 1,881 1,885 1,886 1,891 1,892 1,893 5,896 1,898 1,901 11.833,902 7.76,903 4.861,904 2.511,907 1.482,908 1.228,909 0.929,910 5.38,911 7.972,912 3.367,913 3.839,914 4.307,915 4.789,916 5.246,917 5.514,918 5.75,919 6.003,920 5.855,921 5.852,922 1,923 31,924 7.746,926 3.168,927 0.026,929 7.847,931 14.711,933 11.67,936 2.347,937 49.278,941 211.88,942 107.684,943 21.135,944 39.149,945 36.145,948 107.684,949 287.173,950 21.135,951 17.222,952 12.405,953 36.963,954 25.145,955 26.115,956 58.885,957 200.109,958 39.149,959 211.88,960 128.819,961 36.145,962 39.149,964 153.024,965 95,968 39.241,969 72.548,970 56.179,972 211.88,973 57.28,974 146.833,977 211.88,978 31.158,979 39.298,980 35.041,981 98.615,982 211.88,983 57.28,984 146.833,986 0.569,987 0.339,988 0.171,989 0.091,990 13,991 7,992 0.122,993 5,994 1,995 1.222,996 3.226,997 153.327,998 0.222,999 9,1000 92.239,1005 16.002,1006 7.06,1007 3.636,1009 57.28,1010 3.579,1015 3.285,1017 18.011,1018 415.992,1019 28,1024 11.827,1028 -0.389,1031 40.134,1032 45.096,1034 0.301,1035 0.697,1036 0.908,1037 0.918,1038 0.918,1039 0.918,1040 4.62,1041 0.992,1042 5.485,1043 2.573,1044 4.111,1045 4.522,1046 2.503,1047 6.301,1048 3.994,1049 5.812,1050 0.265,1051 7.055,1052 2.302,1053 3.761,1054 4.369,1055 1.847,1056 7.235,1057 3.56,1058 7.113,1059 0.159,1060 8.727,1061 0.455,1062 5.707,1063 6.597,1064 3.569,1065 10.332,1066 5.494,1067 8.447,1068 -0.219,1069 10.457,1070 0.216,1071 6.176,1072 7.264,1073 3.656,1074 12.086,1075 5.901,1076 9.811,1077 -0.383,1078 12.223,1079 -0.501,1080 7.606,1081 9.013,1082 4.964,1083 14.712,1084 7.319,1085 11.195,1086 -0.777,1087 14.013,1088 -0.962,1089 8.441,1090 10.058,1091 5.37,1092 16.818,1093 8.113,1094 12.597,1095 -1.137,1096 15.822,1097 -1.732,1098 9.68,1099 11.625,1100 6.459,1101 19.284,1102 9.336,1103 3.178,1104 -1.271,1105 17.645,1106 -2.615,1107 10.681,1108 12.854,1109 7.028,1110 21.547,1111 10.308,1112 2.738,1113 10.869,1114 19.48,1115 -2.842,1116 11.85,1117 14.344,1118 7.994,1119 23.958,1120 11.46,1121 2.385,1122 8.152,1123 21.324,1124 4.139,1125 12.927,1126 15.666,1127 8.654,1128 26.289,1129 12.513,1130 2.134,1131 7.304,1132 23.175,1133 3.162,1134 14.074,1135 17.121,1136 9.549,1137 28.681,1138 13.64,1139 1.608,1140 6.465,1141 25.034,1142 2.815,1143 15.186,1144 18.49,1145 10.263,1146 31.042,1147 14.73,1148 1.301,1149 4.237,1150 26.898,1151 2.67,1152 16.328,1153 19.927,1154 11.116,1155 33.429,1156 15.852,1157 1.214,1158 3.106,1159 28.767,1160 2.086,1161 17.458,1162 21.321,1163 11.862,1164 35.803,1165 16.96,1166 3967,1167 6910,1168 13.929,1169 26.631,1170 33.152,1171 33.738,1172 34.49,1173 32.151,1174 31.949,1175 39.037,1176 8.689,1177 91.359,1178 29.951,1179 5.376,1180 5.776,1181 6.567,1182 5.222,1183 5.178,1184 7.139,1185 3.912,1186 18,1187 5.087,1188 12.699,1189 1.507,1190 1.534,1191 1.568,1192 1.461,1193 1.452,1194 1.774,1195 0.395,1196 4.153,1197 1.361,1198 4.036,1199 4.06,1200 4.078,1201 3.973,1202 7.433,1203 3.97,1204 3.693,1205 3.756,1206 3.602,1207 3.46,1208 5.432,1209 3.477,1210 3.57,1211 3.627,1212 3.573,1213 3.427,1214 4.945,1215 3.43,1216 3.396,1217 3.445,1218 3.348,1219 3.282,1220 4.493,1221 3.27,1222 3.196,1223 3.274,1224 3.237,1225 2.967,1226 4.31,1227 2.97,1228 3.025,1229 3.078,1230 2.967,1231 2.889,1232 4.182,1233 2.871,1234 2.92,1235 2.972,1236 2.731,1237 2.625,1238 3.846,1239 2.643,1240 2.745,1241 2.813,1242 2.691,1243 2.552,1244 3.74,1245 2.547,1246 0.204,1247 0.172,1248 0.305,1249 0.189,1250 0.144,1251 4.486,1252 0.188,1253 3.776,1254 0.1,1255 6.705,1256 0.494,1257 4.151,1258 0.14,1259 3.178,1260 4.139,1261 2.208,1262 10.869,1263 3.087,1264 1.888,1265 1.877,1266 1.949,1267 1.976,1268 1.187,1269 1.971,1270 1.635,1271 1.575,1272 1.87,1273 1.859,1274 1.175,1275 1.863,1276 1.604,1277 1.53,1278 1.851,1279 1.814,1280 1.038,1281 1.832,1282 1.43,1283 1.379,1284 1.652,1285 1.58,1286 0.727,1287 1.609,1288 1.193,1289 1.124,1290 1.568,1291 1.472,1292 0.623,1293 1.505,1294 1.059,1295 0.998,1296 1.275,1297 1.283,1298 0.436,1299 1.277,1300 0.826,1301 0.795,1302 1.044,1303 1.116,1304 0.135,1305 1.101,1306 0.721,1307 0.667,1308 1.018,1309 0.927,1310 0.093,1311 0.967,1312 3.807,1314 5.106,1315 2.398,1316 6.6,1317 4.727,1318 8.19,1319 6.843,1320 9.837,1322 3.575,1323 6.298,1328 2.941,1329 3.284,1330 5.36,1332 0.163,1333 1.495,1337 5.287,1339 2.573,1340 25.041,1341 64.167,1342 148.274,1343 193.367,1344 195.367,1345 195.367,1346 195.367,1347 40.784,1348 6.489,1349 41.57,1350 41.57,1351 11,1352 12.195,1353 3.17,1354 2.807,1355 39.17,1356 67,1357 72,1358 0.303,1359 161.811,1360 288.69,1361 386.578,1362 4558,1363 2.5,1364 15.405,1365 0.734,1366 0.621,1367 15.905,1368 13.035,1369 10.062,1370 0.457,1371 0.335,1372 6.919,1373 9.399,1374 6.661,1375 5.553,1376 10.351,1377 7.363,1378 8.721,1379 0.291,1380 0.181,1381 9.091,1382 5.439,1383 7.317,1384 0.188,1385 0.104,1386 7.649,1387 4.041,1388 5.617,1389 0.115,1390 0.056,1391 5.991,1392 2.723,1393 4.134,1394 0.071,1395 0.029,1396 4.396,1397 1.709,1398 0.465,1399 66.055,1400 0.268,1401 20.686,1402 0.86,1403 104,1404 319.652,1405 130.075,1406 336.698,1407 441.38,1408 312,1409 121,1410 294.645,1411 142.687,1412 307.695,1413 448.58,1414 287,1415 4.593}
{0 CHEMBL54420,1 1.436,2 11.259,3 4.585,4 21.025,5 107.07,6 6.769,7 0.4,8 4.075,9 4.204,10 3.568,11 3.604,12 5.08,13 3.568,14 4.653,15 4.842,16 3.988,17 4.047,18 5.638,19 3.989,20 4.931,21 5.134,22 4.049,23 4.239,24 5.843,25 4.145,26 5.077,27 5.332,28 3.927,29 4.233,30 5.971,31 4.097,32 5,33 5.264,34 3.729,35 4.044,36 5.924,37 3.891,38 4.786,39 5.079,40 3.52,41 3.727,42 5.645,43 3.604,44 4.339,45 4.536,46 3.517,47 3.552,48 5.42,49 3.506,50 4.442,51 4.649,52 3.512,53 3.586,54 5.636,55 3.528,56 0.046,57 0.784,58 12.466,59 5.092,60 9.606,61 7.097,62 0.38,63 1.306,64 23.473,65 8.721,66 35.07,67 12.507,68 0.216,69 1.655,70 31.055,71 11.63,72 30.691,73 16.65,74 0.306,75 1.779,76 36.999,77 12.948,78 47.087,79 19.056,80 0.354,81 1.507,82 34.906,83 12.276,84 55.446,85 17.587,86 0.431,87 1.134,88 29.192,89 9.157,90 46.394,91 13.222,92 0.291,93 0.856,94 17.889,95 5.655,96 27.127,97 7.887,98 0.341,99 0.909,100 20.094,101 6.225,102 50.352,103 8.619,104 27,105 45,106 0.239,107 0.573,108 0.756,109 0.83,110 0.839,111 0.839,112 3.34,113 0.958,114 -4.75,115 -4.66,116 -4.38,121 40.7,122 3,123 1,124 1,125 1,126 1,127 1,130 1,144 7,145 2,146 3,161 1,176 12,179 1,180 5,183 3,185 4,187 15,192 6,197 4,200 13,206 7,211 5,214 7,218 1,219 8,224 4,227 2,232 3,235 1,237 3,239 4,243 1,244 4,247 1,249 2,251 8,256 4,259 1,260 1,264 8,269 2,277 10,281 1065,282 17.841,283 17.841,284 17.841,285 17.841,286 17.841,287 16.326,288 29.198,289 10.103,290 18.165,291 14.757,292 14.757,293 14.757,294 14.757,295 14.757,296 12.345,297 38.994,298 4.738,299 15.276,300 4.319,301 2.317,302 1.216,303 0.774,304 0.723,305 0.723,306 4.031,311 1,312 1,313 668,314 3.808,317 112.162,318 150.531,320 90.264,321 95.25,324 133.089,325 1.824,326 19.645,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 57.5,338 304,339 4.809,340 3.935,341 7.956,342 4.685,343 3.705,344 4.198,345 2.186,346 15.054,347 3.637,348 4.126,349 3.675,350 6.181,351 3.791,352 2.803,353 3.691,354 0.886,355 8.774,356 2.777,357 3.955,358 2.992,359 5.943,360 3.621,361 2.665,362 3.291,363 0.4,364 8.251,365 2.542,366 3.735,367 2.752,368 5.931,369 3.461,370 2.499,371 2.989,372 0.366,373 7.84,374 2.394,375 3.557,376 2.687,377 5.528,378 3.3,379 2.352,380 2.776,382 7.278,383 2.215,384 3.33,385 2.44,386 5.268,387 3.019,388 2.064,389 2.482,391 6.529,392 1.956,393 3.098,394 2.244,395 4.624,396 2.75,397 1.771,398 2.202,400 4.89,401 1.717,402 2.52,403 1.43,404 4.198,405 2.227,406 1.239,407 1.526,409 3.026,410 1.223,411 2.5,412 1.314,413 3.771,414 2.178,415 1.206,416 1.5,418 2.912,419 1.17,420 2.451,421 1.119,422 3.701,423 2.039,424 1.061,425 1.44,427 2.634,428 1.035,429 2.201,430 1,431 3.648,432 2,433 1,434 1.189,436 2.275,437 1,438 1.69,439 0.916,440 3.414,441 1.571,442 0.625,443 0.653,445 1.636,446 0.589,447 1.273,448 0.705,449 3.03,450 0.999,451 0.075,452 0.086,454 0.204,455 0.069,456 1.191,457 0.388,458 2.965,459 0.783,460 -0.203,461 -0.26,463 -0.492,464 -0.197,465 0.704,466 -0.178,467 2.501,468 0.362,469 -0.6,470 -0.63,472 -1.548,473 -0.573,474 12.867,475 0.477,476 0.877,477 0.032,478 32.5,479 1.204,480 15,481 0.556,482 17.5,483 0.648,484 25.275,485 0.936,486 29.733,487 0.551,488 23.493,489 0.87,490 5.93,491 0.22,492 6.95,493 0.257,494 0.181,495 0.039,496 0.342,501 0.835,502 1.351,503 0.875,504 1.138,505 0.673,506 1.024,507 0.616,508 0.963,509 0.806,510 0.883,511 0.404,512 0.862,513 0.986,514 1.267,515 1.054,516 1.172,517 0.721,518 1.127,519 0.955,520 1.069,521 1.071,522 1.101,523 0.717,524 1.088,525 1.137,526 1.095,527 1.031,528 1.14,529 1.325,530 1.09,531 1.56,532 0.71,533 0.813,534 0.666,535 1.374,536 0.663,537 1.847,538 0.979,539 1.09,540 0.925,541 1.743,542 0.919,543 2.044,544 0.955,545 1.182,546 0.956,547 3.017,548 0.967,549 7,550 0.126,551 4.222,552 3.299,553 1.383,554 0.969,555 0.516,556 0.378,557 0.274,558 0.257,559 9407,560 19209,561 2.066,562 50,563 10,564 12,565 1,567 2,569 2,572 1.696,573 1.895,574 3.414,575 0.194,582 77.52,583 1.436,584 3.438,585 4.538,586 4.981,587 5.032,588 5.032,589 2.876,590 4.385,591 4.727,592 3.643,593 1278.73,594 8.177,595 16607.5,597 1,600 310.764,601 1.675,602 4.66,603 0.233,604 0.006,605 0.094,606 0.072,607 0.036,608 0.033,609 0.021,610 0.015,611 0.011,612 0.012,613 0.533,614 0.33,615 1,616 0.803,617 134.865,618 -0.02,619 -0.121,620 0.063,621 -0.029,622 -0.069,623 0.019,624 0.321,625 0.183,626 0.163,627 0.15,628 0.254,629 0.14,630 -0.075,631 -0.186,632 -0.092,633 -0.14,634 -0.012,635 -0.123,636 -0.064,637 -0.057,638 -0.097,639 -0.128,640 0.051,641 -0.111,642 0.027,643 -0.183,644 -0.032,645 -0.169,646 -0.026,647 -0.117,648 -0.017,649 0.136,650 0.241,651 0.247,652 -0.029,653 0.269,654 -0.062,655 0.089,656 -0.027,657 0.03,658 -0.093,659 0.008,660 -0.122,661 0.072,662 -0.105,663 -0.016,664 -0.139,665 -0.053,666 2.134,667 5.317,668 0.667,669 23.786,670 0.992,671 1.128,672 3.52,673 12.394,674 0.649,675 3.434,676 3.829,677 4.143,678 4.443,679 4.635,680 4.727,681 4.875,682 4.92,683 4.905,684 4.984,685 6.791,686 0.608,687 365.52,688 3.434,689 5.017,690 5.9,691 6.819,692 7.724,693 8.65,694 9.567,695 10.499,696 11.425,697 12.362,698 5.6,700 1,704 1,705 1,715 7,720 5,722 12,736 1,737 1,741 54,743 13,744 2,745 30,747 57,748 22,749 12,750 5,751 7,756 4,757 7,763 3,764 1,766 1,767 1,770 1,772 13,773 9,774 1,777 1,782 1,786 1,790 1,793 27,794 5,795 2,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,853 1,859 2,864 4,868 27,876 2,877 2,878 1,880 2,881 1,882 1,893 3.7,896 1,898 1,901 14.25,902 10.783,903 5.736,904 3.358,907 2.196,908 1.285,909 0.961,910 4.647,911 9.901,912 3.638,913 4.22,914 4.749,915 5.292,916 5.782,917 5.966,918 6.283,919 6.484,920 6.539,921 6.777,922 1,923 46,924 10.021,926 4.31,927 0.026,929 7.59,931 19.57,933 16.699,936 2.09,937 56.417,939 1,940 1,941 294.278,942 129.737,943 39.146,945 36.145,948 129.737,949 330.422,950 39.146,951 34.872,952 22.651,953 84.344,954 25.145,955 31.252,956 18.534,957 282.506,959 294.278,960 168.882,961 36.145,964 270.735,965 59.687,968 67.137,969 101.745,972 294.278,973 75.291,974 129.737,977 294.278,978 28.531,979 104.33,980 36.022,981 36.145,982 294.278,983 75.291,984 129.737,986 0.601,987 0.359,988 0.191,989 0.098,990 24,991 11,992 0.07,993 4,994 2,995 1.222,996 3.854,997 236.542,998 0.222,999 18,1000 122.382,1005 18.33,1006 6.844,1007 3.214,1009 75.291,1010 13.787,1015 4.993,1017 36.022,1018 499.305,1019 37,1024 12.317,1028 -0.468,1031 53.563,1032 60.896,1034 0.249,1035 0.597,1036 0.789,1037 0.866,1038 0.874,1039 0.874,1040 4.934,1041 1.239,1042 5.948,1043 4.89,1044 4.511,1045 4.905,1046 2.41,1047 6.872,1048 4.446,1049 6.156,1050 1.206,1051 7.588,1052 3.026,1053 4.369,1054 4.808,1055 1.847,1056 8.22,1057 4.291,1058 7.493,1059 1.061,1060 9.346,1061 2.912,1062 6.252,1063 7.032,1064 3.516,1065 11.362,1066 6.137,1067 8.866,1068 1,1069 11.18,1070 2.634,1071 6.938,1072 7.688,1073 3.601,1074 13.624,1075 6.818,1076 10.274,1077 0.625,1078 13.068,1079 2.275,1080 8.378,1081 9.463,1082 4.909,1083 16.427,1084 8.233,1085 11.709,1086 0.075,1087 14.998,1088 1.636,1089 9.425,1090 10.468,1091 5.291,1092 19.007,1093 9.273,1094 13.166,1095 -0.203,1096 16.959,1097 0.204,1098 10.74,1099 12.058,1100 6.388,1101 21.739,1102 10.57,1103 3.705,1104 -0.6,1105 18.945,1106 -0.492,1107 11.939,1108 13.246,1109 6.93,1110 24.414,1111 11.758,1112 2.803,1113 15.054,1114 20.952,1115 -1.548,1116 13.23,1117 14.75,1118 7.902,1119 27.13,1120 13.033,1121 2.665,1122 8.774,1123 22.975,1124 4.198,1125 14.492,1126 16.041,1127 8.539,1128 29.831,1129 14.28,1130 2.499,1131 8.251,1132 25.009,1133 3.691,1134 15.785,1135 17.502,1136 9.436,1137 32.544,1138 15.556,1139 2.352,1140 7.84,1141 27.053,1142 3.291,1143 17.072,1144 18.851,1145 10.13,1146 35.252,1147 16.827,1148 2.064,1149 7.278,1150 29.105,1151 2.989,1152 18.371,1153 20.292,1154 10.981,1155 37.964,1156 18.108,1157 1.771,1158 6.529,1159 31.162,1160 2.776,1161 19.67,1162 21.674,1163 11.71,1164 40.675,1165 19.39,1166 8942,1167 12936,1168 19.592,1169 35.063,1170 46.423,1171 47.466,1172 48.383,1173 46.064,1174 46.133,1175 56.049,1176 7.677,1177 142.605,1178 44.647,1179 5.773,1180 5.935,1181 7.379,1182 5.777,1183 5.705,1184 7.198,1185 3.889,1186 23.395,1187 5.637,1188 15.105,1189 1.547,1190 1.582,1191 1.613,1192 1.535,1193 1.538,1194 1.868,1195 0.256,1196 4.753,1197 1.488,1198 4.087,1199 4.124,1200 4.034,1201 3.993,1202 7.435,1203 3.998,1204 3.947,1205 3.981,1206 3.882,1207 3.881,1208 4.846,1209 3.876,1210 3.683,1211 3.724,1212 3.6,1213 3.545,1214 4.74,1215 3.547,1216 3.538,1217 3.604,1218 3.414,1219 3.388,1220 4.46,1221 3.378,1222 3.349,1223 3.412,1224 3.231,1225 3.095,1226 4.18,1227 3.121,1228 3.244,1229 3.305,1230 3.087,1231 2.972,1232 4.094,1233 3.002,1234 3.13,1235 3.23,1236 2.913,1237 2.926,1238 3.898,1239 2.91,1240 2.874,1241 3.009,1242 2.687,1243 2.735,1244 3.785,1245 2.715,1246 0.16,1247 0.131,1248 0.265,1249 0.156,1250 0.123,1251 4.809,1252 0.14,1253 3.935,1254 0.073,1255 7.956,1256 0.502,1257 4.685,1258 0.121,1259 3.705,1260 4.198,1261 2.186,1262 15.054,1263 3.637,1264 1.94,1265 1.911,1266 2.069,1267 2.037,1268 1.31,1269 2.046,1270 1.901,1271 1.881,1272 2.003,1273 1.985,1274 1.252,1275 1.991,1276 1.627,1277 1.573,1278 1.831,1279 1.811,1280 1.035,1281 1.819,1282 1.541,1283 1.477,1284 1.797,1285 1.746,1286 0.951,1287 1.76,1288 1.46,1289 1.377,1290 1.716,1291 1.7,1292 0.909,1293 1.718,1294 1.216,1295 1.16,1296 1.556,1297 1.51,1298 0.635,1299 1.51,1300 1.107,1301 1.044,1302 1.417,1303 1.409,1304 0.469,1305 1.394,1306 0.934,1307 0.821,1308 1.268,1309 1.239,1310 0.408,1311 1.308,1312 4.111,1314 5.485,1315 3.045,1316 7.05,1317 5.587,1318 8.708,1319 7.84,1320 10.421,1322 8.682,1328 2.079,1329 6.372,1330 5.561,1332 0.766,1333 2.28,1334 0.048,1340 32.815,1341 77.52,1342 185.647,1343 245.073,1344 268.989,1345 271.744,1346 271.744,1347 42.413,1348 7.705,1349 53.6,1350 53.6,1351 22,1352 12.862,1353 3.807,1354 3,1355 40.544,1356 111,1357 111,1358 0.179,1359 200.112,1360 350.02,1361 480.033,1362 23920,1364 19.181,1365 0.71,1366 0.606,1367 19.181,1368 16.374,1369 12.881,1370 0.429,1371 0.319,1372 9.468,1373 12.462,1374 9.085,1375 7.599,1376 12.881,1377 9.579,1378 12.414,1379 0.276,1380 0.18,1381 12.414,1382 8.105,1383 10.553,1384 0.17,1385 0.096,1386 10.553,1387 5.97,1388 9.048,1389 0.108,1390 0.052,1391 9.048,1392 4.361,1393 6.894,1394 0.068,1395 0.027,1396 6.894,1397 2.789,1398 0.286,1399 80.163,1400 0.226,1401 26.071,1402 0.478,1403 150,1404 365.782,1405 162.998,1406 355.963,1407 498.73,1408 334,1409 182,1410 382.388,1411 194.643,1412 388.864,1413 574.24,1414 365,1415 6.489}
{0 CHEMBL544395,1 1.413,2 8.81,3 3.323,4 11.044,5 82.728,6 6.41,7 0.261,8 3.882,9 4.016,10 3.322,11 3.392,12 4.832,13 3.345,14 4.489,15 4.685,16 3.693,17 3.833,18 5.414,19 3.746,20 4.803,21 5.051,22 3.713,23 3.967,24 5.636,25 3.842,26 4.833,27 5.093,28 3.575,29 3.854,30 5.752,31 3.721,32 4.698,33 4.97,34 3.447,35 3.626,36 5.674,37 3.517,38 4.41,39 4.634,40 3.259,41 3.47,42 5.414,43 3.38,44 4.298,45 4.533,46 3.234,47 3.479,48 5.309,49 3.358,50 4.305,51 4.546,52 3.07,53 3.509,54 5.163,55 3.355,56 0.044,57 0.639,58 10.958,59 4.432,60 7.231,61 6.272,62 0.328,63 1.058,64 20.607,65 7.702,66 24.958,67 11.189,68 0.21,69 1.305,70 28.109,71 9.884,72 26.78,73 14.665,74 0.342,75 1.222,76 29.648,77 9.302,78 44.309,79 13.834,80 0.415,81 0.984,82 26.305,83 7.667,84 49.18,85 11.317,86 0.334,87 0.778,88 19.825,89 6.008,90 37.807,91 8.468,92 0.24,93 0.776,94 17.09,95 6.073,96 34.891,97 8.735,98 0.197,99 0.799,100 17.049,101 6.067,102 28.062,103 8.923,104 10,105 32,106 0.249,107 0.538,108 0.72,109 0.818,110 0.84,111 0.84,112 3.103,113 1.041,114 -3.71,115 -3.67,116 -3.49,121 37.8,123 7,126 1,129 2,144 3,145 2,146 1,161 1,165 1,166 1,167 1,176 10,179 3,180 4,185 2,187 12,189 2,192 4,197 3,200 8,203 3,206 10,211 1,214 1,216 1,219 10,221 1,222 1,224 1,229 1,232 4,239 4,244 4,246 2,247 2,251 8,264 8,274 2,277 8,279 2,281 523,282 14.137,283 14.137,284 14.137,285 14.137,286 14.137,287 13.308,288 18.795,289 8.319,290 14.368,291 11.323,292 11.323,293 11.323,294 11.323,295 11.323,296 9.93,297 26.048,298 3.946,299 11.688,300 4.078,301 2.438,302 1.406,303 0.85,304 0.728,305 0.728,306 3.781,310 1,311 1,312 1,313 401,314 3.082,317 50.054,318 125.69,321 86.739,325 1.361,326 18.811,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 45,338 185,339 4.372,340 3.802,341 6.498,342 4.065,343 3.078,344 3.976,345 2.208,346 10.133,347 3.042,348 4.051,349 3.322,350 6.336,351 3.873,352 2.931,353 3.221,354 0.655,355 9.417,356 2.75,357 3.608,358 2.764,359 5.393,360 3.336,361 2.39,362 2.847,363 0.522,364 7.035,365 2.248,366 3.234,367 2.519,368 4.964,369 3.004,370 2.018,371 2.294,372 0.13,373 5.485,374 1.977,375 3.081,376 2.163,377 4.91,378 2.823,379 1.84,380 2.215,382 5.352,383 1.806,384 2.528,385 1.73,386 4.055,387 2.416,388 1.426,389 1.512,391 3.335,392 1.402,393 2.481,394 1.342,395 3.77,396 2.216,397 1.223,398 1.471,400 3.098,401 1.213,402 2,403 1.045,404 3.308,405 2,406 1,407 1,409 2.136,410 1,411 1.927,412 1,413 3.247,414 1.725,415 0.755,416 0.857,418 1.787,419 0.728,420 1.75,421 0.941,422 3.194,423 1.576,424 0.605,425 0.662,427 1.433,428 0.581,429 1.171,430 0.596,431 2.622,432 0.812,433 -0.154,434 -0.188,436 -0.376,437 -0.146,438 0.624,439 -0.164,440 2.247,441 0.285,442 -0.684,443 -0.747,445 -1.608,446 -0.655,447 0.578,448 -0.538,449 2,450 0.225,451 -0.751,452 -0.801,454 -1.688,455 -0.728,456 0.253,457 -0.61,458 1.938,459 0.141,460 -0.858,461 -1,463 -2.347,464 -0.855,466 -0.779,467 1.648,469 -1,470 -1.158,472 -2.591,473 -1,474 9.967,475 0.475,476 0.524,477 0.025,478 21.25,479 1.012,480 8,481 0.381,482 13.25,483 0.631,484 20.042,485 0.954,486 24.233,487 0.539,488 13.496,489 0.643,490 3.576,491 0.17,492 6.572,493 0.313,494 0.124,496 0.341,501 0.81,502 1.352,503 0.936,504 1.208,505 0.696,506 1.098,507 0.544,508 1.108,509 0.937,510 1.086,511 0.433,512 1.06,513 0.873,514 1.164,515 0.963,516 1.124,517 0.641,518 1.061,519 1.452,520 1.072,521 1.094,522 1.048,523 1.364,524 1.029,525 1.749,526 0.832,527 0.975,528 0.812,529 1.758,530 0.802,531 2.37,532 0.878,533 1.259,534 0.846,535 2.169,536 0.919,537 1.048,538 1.003,539 1.024,540 1.03,541 1.372,542 1.035,543 1.165,544 1.005,545 1.258,546 1.051,547 1.579,548 1.148,549 4,550 0.036,551 2.667,552 1.667,553 0.959,554 0.552,555 0.37,556 0.215,557 0.18,558 0.091,559 4506,560 8648,561 2.074,562 53.3,563 8,564 8,567 2,569 6,572 1.629,573 1.938,574 3.157,575 0.284,576 1,577 1,579 1,582 63.607,583 1.413,584 3.053,585 4.086,586 4.642,587 4.764,588 4.764,589 2.547,590 3.916,591 4.369,592 3.29,593 690.97,594 7.47,595 7365.06,597 1,599 1,600 247.133,601 1.418,602 4.322,603 0.174,604 0.004,605 0.083,606 0.054,607 0.038,608 0.025,609 0.019,610 0.011,611 0.011,612 0.008,613 0.429,614 0.83,615 1,616 0.61,617 95.043,618 -0.026,619 -0.051,620 0.054,621 -0.005,622 -0.041,623 0.032,624 0.311,625 0.057,626 0.048,627 0.008,628 0.189,629 -0.003,630 -0.006,631 -0.134,632 0.007,633 -0.11,634 0.051,635 -0.056,636 -0.122,637 -0.118,638 -0.074,639 -0.106,640 -0.076,641 -0.085,642 -0.071,643 0.051,644 0.084,645 0.078,646 -0.067,647 0.098,648 -0.359,649 0.062,650 -0.16,651 0.102,652 -0.299,653 0.005,654 0.053,655 0.02,656 -0.028,657 -0.014,658 0.049,659 -0.037,660 -0.232,661 0.049,662 -0.282,663 -0.032,664 -0.23,665 -0.146,666 1.923,667 5.266,668 0.714,669 14.29,670 0.991,671 1.133,672 2.475,673 6.126,674 0.629,675 3.178,676 3.497,677 3.761,678 3.97,679 4.111,680 4.06,681 4.174,682 4.234,683 4.111,684 4.111,685 5.413,686 0.584,687 288.43,688 3.178,689 4.71,690 5.557,691 6.425,692 7.287,693 8.158,694 9.025,695 9.897,696 10.767,697 11.64,698 4.4,699 1,705 1,715 3,720 3,722 6,737 1,741 45,743 7,744 1,745 23,747 47,748 17,749 6,750 3,751 3,756 3,757 4,767 9,770 9,772 7,773 10,777 1,782 1,786 1,789 1,790 1,793 24,794 4,795 2,796 4,802 2,808 0.667,809 2,828 1,829 2,832 1,851 1,859 2,864 1,868 21,869 1,876 7,878 1,880 2,881 1,893 4.4,896 1,898 1,901 10.833,902 8.033,903 4.611,904 3.018,907 1.225,908 1.184,909 0.955,910 4.388,911 7.881,912 3.332,913 3.818,914 4.28,915 4.731,916 5.156,917 5.263,918 5.53,919 5.7,920 5.506,921 5.478,922 0.833,923 31,924 7.844,926 3.353,927 0.026,929 7.611,931 15.494,933 13.263,936 2.111,937 44.333,938 0.001,941 258.964,942 72.944,943 36.022,945 36.145,948 72.944,949 295.109,950 36.022,951 8.396,952 53.763,953 28.429,954 25.145,955 22.614,956 6.763,957 258.964,959 258.964,960 108.965,961 36.145,964 188.338,965 106.771,968 53.763,969 55.202,972 258.964,973 72.166,974 72.944,977 258.964,978 36.119,979 39.949,981 69.042,982 258.964,983 72.166,984 72.944,986 0.584,987 0.347,988 0.18,989 0.091,990 16,991 7,992 0.064,993 3,994 1,995 1.133,996 3.371,997 158.647,998 0.133,999 15,1000 86.239,1005 14.705,1006 6.266,1007 3.179,1009 72.166,1010 5.842,1015 3.016,1017 32.897,1018 404.074,1019 27,1024 12.266,1028 -0.256,1031 44.578,1032 50.983,1034 0.257,1035 0.556,1036 0.744,1037 0.845,1038 0.867,1039 0.867,1040 4.59,1041 1,1042 5.541,1043 3.098,1044 4.174,1045 4.5,1046 2.372,1047 6.34,1048 4.112,1049 5.744,1050 0.755,1051 7.099,1052 2.136,1053 3.761,1054 4.27,1055 1.847,1056 7.217,1057 3.642,1058 7.028,1059 0.605,1060 8.758,1061 1.787,1062 5.759,1063 6.511,1064 3.532,1065 10.311,1066 5.627,1067 8.344,1068 -0.154,1069 10.476,1070 1.433,1071 6.176,1072 7.1,1073 3.656,1074 12.015,1075 5.99,1076 9.696,1077 -0.684,1078 12.231,1079 -0.376,1080 7.641,1081 8.86,1082 4.956,1083 14.611,1084 7.445,1085 11.071,1086 -0.751,1087 14.012,1088 -1.608,1089 8.432,1090 9.82,1091 5.37,1092 16.652,1093 8.194,1094 12.463,1095 -0.858,1096 15.811,1097 -1.688,1098 9.683,1099 11.388,1100 6.458,1101 19.067,1102 9.435,1103 3.078,1104 -1,1105 17.624,1106 -2.347,1107 10.647,1108 12.534,1109 7.028,1110 21.251,1111 10.367,1112 2.931,1113 10.133,1114 19.446,1115 -2.591,1116 11.81,1117 14.013,1118 7.994,1119 23.594,1120 11.518,1121 2.39,1122 9.417,1123 21.277,1124 3.976,1125 12.853,1126 15.259,1127 8.654,1128 25.841,1129 12.536,1130 2.018,1131 7.035,1132 23.114,1133 3.221,1134 13.981,1135 16.693,1136 9.549,1137 28.157,1138 13.652,1139 1.84,1140 5.485,1141 24.955,1142 2.847,1143 15.059,1144 17.996,1145 10.263,1146 30.432,1147 14.711,1148 1.426,1149 5.352,1150 26.801,1151 2.294,1152 16.174,1153 19.405,1154 11.116,1155 32.737,1156 15.814,1157 1.223,1158 3.335,1159 28.65,1160 2.215,1161 17.268,1162 20.74,1163 11.862,1164 35.025,1165 16.893,1166 4350,1167 6146,1168 15.315,1169 28.296,1170 34.587,1171 35.675,1172 35.701,1173 34.588,1174 34.53,1175 40.109,1176 7.029,1177 98.423,1178 33.495,1179 5.372,1180 5.802,1181 6.3,1182 5.151,1183 5.078,1184 6.976,1185 3.912,1186 16.87,1187 5.042,1188 9.395,1189 1.504,1190 1.551,1191 1.552,1192 1.504,1193 1.501,1194 1.744,1195 0.306,1196 4.279,1197 1.456,1198 4.03,1199 4.059,1200 3.968,1201 3.959,1202 7.433,1203 3.957,1204 3.884,1205 3.942,1206 3.761,1207 3.757,1208 5.036,1209 3.747,1210 3.555,1211 3.597,1212 3.464,1213 3.354,1214 4.743,1215 3.367,1216 3.408,1217 3.48,1218 3.273,1219 3.209,1220 4.327,1221 3.221,1222 3.111,1223 3.206,1224 2.925,1225 2.941,1226 4.178,1227 2.91,1228 3.079,1229 3.164,1230 2.866,1231 2.885,1232 3.926,1233 2.882,1234 2.979,1235 3.067,1236 2.807,1237 2.778,1238 3.707,1239 2.763,1240 2.923,1241 2.982,1242 2.645,1243 2.62,1244 3.51,1245 2.637,1246 0.19,1247 0.165,1248 0.283,1249 0.177,1250 0.134,1251 4.372,1252 0.173,1253 3.802,1254 0.096,1255 6.498,1256 0.441,1257 4.065,1258 0.132,1259 3.078,1260 3.976,1261 2.208,1262 10.133,1263 3.042,1264 1.897,1265 1.876,1266 2.096,1267 2.043,1268 1.483,1269 2.06,1270 1.869,1271 1.816,1272 1.983,1273 1.969,1274 1.175,1275 1.975,1276 1.579,1277 1.513,1278 1.827,1279 1.77,1280 1.142,1281 1.794,1282 1.413,1283 1.349,1284 1.679,1285 1.691,1286 0.879,1287 1.686,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.825,1293 1.429,1294 1.103,1295 1.051,1296 1.396,1297 1.362,1298 0.598,1299 1.364,1300 1.003,1301 0.906,1302 1.355,1303 1.248,1304 0.469,1305 1.305,1306 0.841,1307 0.793,1308 1.096,1309 1.165,1310 0.162,1311 1.13,1312 3.85,1314 5.165,1315 2.398,1316 6.673,1317 4.727,1318 8.263,1319 6.804,1320 9.896,1322 1.845,1326 6.072,1328 7.858,1330 5.534,1332 0.401,1333 1.756,1340 26.267,1341 63.607,1342 137.403,1343 183.849,1344 208.869,1345 214.379,1346 214.379,1347 35.352,1348 6.657,1349 55.56,1350 55.56,1351 17,1352 12.182,1353 3,1354 2.322,1355 32.283,1356 69,1357 60,1358 0.232,1359 161.532,1360 283.7,1361 385.897,1362 6261,1364 14.82,1365 0.706,1366 0.604,1367 14.82,1368 12.678,1369 10.148,1370 0.441,1371 0.347,1372 7.896,1373 9.825,1374 7.712,1375 6.395,1376 10.148,1377 7.98,1378 9.128,1379 0.285,1380 0.196,1381 9.128,1382 6.276,1383 7.876,1384 0.188,1385 0.116,1386 7.876,1387 4.857,1388 6.185,1389 0.119,1390 0.067,1391 6.185,1392 3.466,1393 4.76,1394 0.079,1395 0.039,1396 4.76,1397 2.316,1398 0.362,1399 63.192,1400 0.256,1401 20.862,1402 0.64,1403 110,1404 272.428,1405 120.195,1406 260.816,1407 357.55,1408 244,1409 129,1410 266.36,1411 138.644,1412 268.059,1413 393.68,1414 252,1415 5.402}
{0 CHEMBL544396,1 1.496,2 7.118,3 1.814,4 3.29,5 66.462,6 6.695,7 0.333,8 3.634,9 3.767,10 3.1,11 3.11,12 4.687,13 3.081,14 4.191,15 4.389,16 3.454,17 3.502,18 5.227,19 3.442,20 4.409,21 4.63,22 3.493,23 3.604,24 5.399,25 3.526,26 4.465,27 4.678,28 3.354,29 3.504,30 5.563,31 3.426,32 4.334,33 4.589,34 3.124,35 3.313,36 5.369,37 3.21,38 4.025,39 4.246,40 3.018,41 3.177,42 5.082,43 3.094,44 4.038,45 4.273,46 2.793,47 3.209,48 5.075,49 3.047,50 4.093,51 4.396,52 2.285,53 3.091,54 4.79,55 2.819,56 0.024,57 0.495,58 8.189,59 3.19,60 7.426,61 4.518,62 0.306,63 0.768,64 15.156,65 5.247,66 24.004,67 7.689,68 0.125,69 0.88,70 18.883,71 6.479,72 20.471,73 9.44,74 0.322,75 0.818,76 20.923,77 6.166,78 48.469,79 8.748,80 0.35,81 0.693,82 18.503,83 5.254,84 43.583,85 7.783,86 0.163,87 0.585,88 13.076,89 4.011,90 25.544,91 5.964,92 0.216,93 0.597,94 13.078,95 4.612,96 35.109,97 6.706,98 0.117,99 0.566,100 13.802,101 4.837,102 21.284,103 7.451,104 21,105 25,106 0.281,107 0.633,108 0.844,109 0.87,110 0.87,111 0.87,112 2.908,113 0.989,114 -3.08,115 -3.08,116 -2.97,121 37.1,122 1,123 2,126 1,127 1,129 1,144 3,145 2,146 1,161 1,165 1,166 1,167 1,176 6,179 3,180 3,185 2,187 7,189 2,192 3,197 3,200 5,203 3,206 8,211 1,214 3,216 1,219 6,221 1,222 1,224 1,229 1,232 4,239 2,246 2,247 2,251 3,264 2,274 1,279 1,281 307,282 11.284,283 11.284,284 11.284,285 11.284,286 11.284,287 10.427,288 15.728,289 6.51,290 11.549,291 8.76,292 8.76,293 8.76,294 8.76,295 8.76,296 7.35,297 19.536,298 2.95,299 9.131,300 3.633,301 1.76,302 0.636,303 0.5,304 0.5,305 0.5,306 3.555,311 1,312 1,313 248,314 3.162,317 33.377,318 42.939,321 64.257,325 0.962,326 17.152,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 37,338 121,339 4.452,340 3.783,341 6.686,342 4.132,343 3.149,344 4.075,345 2.208,346 10.775,347 3.096,348 3.905,349 3.373,350 5.914,351 3.641,352 2.709,353 3.095,354 0.655,355 8.111,356 2.503,357 3.483,358 2.638,359 5.567,360 3.225,361 2.268,362 2.687,363 0.522,364 7.002,365 2.164,366 2.94,367 2.15,368 4.432,369 2.551,370 1.553,371 2.113,372 0.13,373 3.95,374 1.55,375 2.594,376 1.749,377 4.108,378 2.376,379 1.428,380 1.589,382 3.702,383 1.343,384 2.484,385 1.57,386 3.818,387 2.172,388 1.186,389 1.43,391 2.848,392 1.158,393 1.975,394 1.066,395 3.31,396 1.806,397 0.818,398 0.913,400 1.865,401 0.804,402 1.222,403 0.608,404 2.674,405 1.132,406 0.174,407 0.178,409 0.242,410 0.166,411 1.181,412 0.369,413 2.322,414 0.813,415 -0.162,416 -0.2,418 -0.374,419 -0.155,420 0.672,421 -0.177,422 2,423 0.364,424 -0.605,425 -0.714,427 -1.434,428 -0.584,429 0.535,430 -0.421,431 2,432 0.09,433 -0.908,434 -1.194,436 -2.294,437 -0.892,438 -0.049,439 -0.859,440 1.723,441 -0.249,442 -1.229,443 -1.371,445 -2.841,446 -1.205,447 -0.189,448 -1.083,449 1.38,450 -0.367,451 -1.304,452 -1.436,454 -3.285,455 -1.223,456 -0.459,457 -1.173,458 1.302,459 -0.615,460 -1.565,461 -1.861,463 -4.387,464 -1.49,465 -0.5,466 -1.317,467 1.09,468 -0.731,469 -1.712,470 -1.903,471 -0.4,472 -5.254,473 -1.612,474 7.967,475 0.469,476 0.456,477 0.027,478 18.75,479 1.103,480 8,481 0.471,482 10.75,483 0.632,484 13.488,485 0.793,486 19.633,487 0.561,488 12.266,489 0.722,490 3.639,491 0.214,492 4.491,493 0.264,494 0.218,496 0.364,501 0.83,502 1.415,503 0.898,504 1.23,505 0.737,506 1.087,507 0.579,508 0.941,509 0.832,510 0.92,511 0.479,512 0.905,513 0.94,514 1.174,515 0.91,516 1.155,517 0.73,518 1.039,519 1.908,520 1.093,521 1.258,522 1.076,523 1.696,524 1.079,525 1.591,526 0.87,527 1.058,528 0.814,529 1.502,530 0.86,531 1.378,532 1.128,533 1.128,534 1.04,535 1.643,536 1.041,537 0.851,538 1.029,539 1.286,540 1.21,541 1.191,542 1.309,543 0.472,544 1.185,545 1.122,546 1.282,547 0.624,548 1.308,549 3.5,551 2.667,552 1.257,553 0.733,554 0.458,555 0.341,556 0.215,557 0.076,559 2069,560 4975,561 1.96,562 51.4,563 2,564 9,567 2,569 5,572 1.572,573 1.789,574 2.85,575 0.411,577 1,578 1,579 1,582 52.361,583 1.496,584 3.369,585 4.493,586 4.629,587 4.629,588 4.629,589 2.207,590 3.852,591 4.061,592 2.926,593 397.938,594 6.877,595 3569.2,597 1,599 1,600 179.525,601 1.549,602 3.989,603 0.194,605 0.107,606 0.05,607 0.037,608 0.029,609 0.023,610 0.02,611 0.015,613 0.474,614 0.83,615 1,616 1.693,617 69.586,618 -0.049,619 -0.116,620 0.038,621 -0.052,622 -0.092,623 0.003,624 0.322,625 0.212,626 0.132,627 0.137,628 0.174,629 0.113,630 -0.014,631 -0.125,632 0.052,633 -0.121,634 0.037,635 -0.031,636 -0.286,637 -0.146,638 -0.206,639 -0.118,640 -0.208,641 -0.149,642 -0.142,643 0.018,644 -0.02,645 0.099,646 -0.099,647 0.057,648 -0.198,649 -0.09,650 -0.129,651 -0.056,652 -0.185,653 -0.078,654 -0.023,655 0.016,656 -0.347,657 -0.193,658 -0.005,659 -0.312,660 -0.003,661 -0.292,662 -0.231,663 -0.308,664 -0.015,665 -0.311,666 1.985,667 4.697,668 0.529,669 9.474,670 0.998,671 1.135,672 1.855,673 3.44,674 0.629,675 2.944,676 3.258,677 3.526,678 3.714,679 3.829,680 3.85,681 3.892,682 3.871,683 3.555,684 3.219,685 4.324,686 0.591,687 234.33,688 2.944,689 4.466,690 5.313,691 6.184,692 7.054,693 7.932,694 8.809,695 9.691,696 10.572,697 11.457,698 5.7,699 1,705 1,715 3,720 3,722 6,737 1,741 35,743 7,744 1,745 18,747 36,748 13,749 6,750 3,751 3,756 2,757 3,763 1,767 3,770 3,772 7,773 6,777 1,782 1,786 1,790 1,793 18,794 4,795 2,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,851 1,859 1,864 2,868 17,869 1,876 3,878 1,880 1,881 1,893 5.7,896 1,898 1,901 9.5,902 6.7,903 3.861,904 2.225,907 1.342,908 1.223,909 0.936,910 3.574,911 7.363,912 3.135,913 3.651,914 4.155,915 4.619,916 5.045,917 5.163,918 5.373,919 5.501,920 5.218,921 4.941,922 0.8,923 25,924 6.297,926 2.605,927 0.026,929 7.794,931 12.069,933 9.729,936 2.294,937 39,938 0.002,941 188.338,942 71.202,943 36.022,945 36.145,948 71.202,949 224.482,950 36.022,951 17.222,952 43.196,953 28.429,954 25.145,955 22.614,956 6.763,957 188.338,959 188.338,960 107.224,961 36.145,964 129.482,965 95,968 52.021,969 55.202,972 188.338,973 72.166,974 71.202,977 188.338,978 25.552,979 48.775,981 69.042,982 188.338,983 72.166,984 71.202,986 0.582,987 0.356,988 0.173,989 0.083,990 12,991 6,992 0.083,993 3,994 1,995 1.222,996 2.85,997 115.306,998 0.222,999 9,1000 69.487,1005 12.242,1006 4.963,1007 2.39,1009 72.166,1010 5.727,1015 2.841,1017 32.897,1018 331.706,1019 22,1024 11.697,1028 -0.318,1031 34.927,1032 39.737,1034 0.292,1035 0.657,1036 0.876,1037 0.902,1038 0.902,1039 0.902,1040 4.376,1041 0.174,1042 5.313,1043 1.865,1044 3.932,1045 4.331,1046 2.372,1047 6.138,1048 3.856,1049 5.558,1050 -0.162,1051 6.895,1052 0.242,1053 3.611,1054 4.182,1055 1.847,1056 7.111,1057 3.489,1058 6.859,1059 -0.605,1060 8.578,1061 -0.374,1062 5.541,1063 6.422,1064 3.532,1065 10.198,1066 5.394,1067 8.199,1068 -0.908,1069 10.32,1070 -1.434,1071 6.043,1072 7.089,1073 3.656,1074 11.994,1075 5.86,1076 9.573,1077 -1.229,1078 12.097,1079 -2.294,1080 7.463,1081 8.856,1082 4.956,1083 14.608,1084 7.263,1085 10.97,1086 -1.304,1087 13.899,1088 -2.841,1089 8.319,1090 9.89,1091 5.37,1092 16.735,1093 8.097,1094 12.385,1095 -1.565,1096 15.718,1097 -3.285,1098 9.552,1099 11.469,1100 6.458,1101 19.192,1102 9.315,1103 3.149,1104 -1.712,1105 17.551,1106 -4.387,1107 10.562,1108 12.68,1109 7.028,1110 21.459,1111 10.31,1112 2.709,1113 10.775,1114 19.393,1115 -5.254,1116 11.725,1117 14.174,1118 7.994,1119 23.861,1120 11.462,1121 2.268,1122 8.111,1123 21.244,1124 4.075,1125 12.803,1126 15.476,1127 8.654,1128 26.189,1129 12.528,1130 1.553,1131 7.002,1132 23.101,1133 3.095,1134 13.944,1135 16.927,1136 9.549,1137 28.573,1138 13.659,1139 1.428,1140 3.95,1141 24.964,1142 2.687,1143 15.053,1144 18.276,1145 10.263,1146 30.928,1147 14.757,1148 1.186,1149 3.702,1150 26.832,1151 2.113,1152 16.188,1153 19.706,1154 11.116,1155 33.306,1156 15.883,1157 0.818,1158 2.848,1159 28.703,1160 1.589,1161 17.312,1162 21.081,1163 11.862,1164 35.672,1165 16.996,1166 2185,1167 3463,1168 11.444,1169 22.012,1170 26.556,1171 27.581,1172 28.781,1173 26.604,1174 26.571,1175 32.159,1176 7.029,1177 76.989,1178 25.567,1179 5.343,1180 5.783,1181 6.23,1182 5.205,1183 5.149,1184 7.075,1185 3.912,1186 17.895,1187 5.096,1188 9.561,1189 1.475,1190 1.532,1191 1.599,1192 1.478,1193 1.476,1194 1.787,1195 0.39,1196 4.277,1197 1.42,1198 4.027,1199 4.054,1200 3.969,1201 3.958,1202 7.433,1203 3.956,1204 3.683,1205 3.75,1206 3.585,1207 3.439,1208 5.035,1209 3.458,1210 3.461,1211 3.523,1212 3.323,1213 3.327,1214 4.737,1215 3.316,1216 3.224,1217 3.291,1218 3.067,1219 2.981,1220 4.275,1221 2.994,1222 3.064,1223 3.16,1224 2.863,1225 2.858,1226 4.082,1227 2.846,1228 2.94,1229 3.014,1230 2.699,1231 2.607,1232 3.895,1233 2.63,1234 2.658,1235 2.734,1236 2.484,1237 2.44,1238 3.734,1239 2.43,1240 2.541,1241 2.618,1242 2.365,1243 2.365,1244 3.296,1245 2.363,1246 0.247,1247 0.21,1248 0.371,1249 0.23,1250 0.175,1251 4.452,1252 0.226,1253 3.783,1254 0.123,1255 6.686,1256 0.599,1257 4.132,1258 0.172,1259 3.149,1260 4.075,1261 2.208,1262 10.775,1263 3.096,1264 1.891,1265 1.874,1266 1.985,1267 1.985,1268 1.176,1269 1.982,1270 1.607,1271 1.536,1272 1.872,1273 1.858,1274 1.142,1275 1.863,1276 1.574,1277 1.505,1278 1.826,1279 1.768,1280 1.037,1281 1.792,1282 1.187,1283 1.105,1284 1.568,1285 1.473,1286 0.623,1287 1.506,1288 1.105,1289 1.036,1290 1.381,1291 1.342,1292 0.491,1293 1.365,1294 0.894,1295 0.857,1296 1.094,1297 1.232,1298 0.143,1299 1.189,1300 0.629,1301 0.577,1302 0.983,1303 0.915,1304 0.106,1305 0.949,1306 0.533,1307 0.386,1308 0.976,1309 0.865,1311 0.901,1312 3.611,1314 4.92,1315 2.398,1316 6.428,1317 4.727,1318 8.025,1319 6.823,1320 9.671,1322 3.629,1326 5.981,1328 2.441,1330 5.39,1332 0.076,1333 1.536,1340 20.687,1341 52.361,1342 117.909,1343 157.26,1344 162.015,1345 162.015,1346 162.015,1347 27.918,1348 6.021,1349 55.56,1350 55.56,1351 11,1352 11.99,1353 3,1354 2.322,1355 28.355,1356 43,1357 45,1358 0.336,1359 130.556,1360 226.86,1361 310.316,1362 2484,1364 12.414,1365 0.73,1366 0.604,1367 12.414,1368 10.272,1369 8.13,1370 0.452,1371 0.33,1372 5.848,1373 7.798,1374 5.656,1375 4.732,1376 8.13,1377 5.934,1378 7.172,1379 0.287,1380 0.174,1381 7.172,1382 4.351,1383 6.244,1384 0.189,1385 0.099,1386 6.244,1387 3.257,1388 4.624,1389 0.116,1390 0.051,1391 4.624,1392 2.05,1393 3.35,1394 0.074,1395 0.027,1396 3.35,1397 1.219,1398 0.503,1399 51.123,1400 0.296,1401 16.867,1402 0.982,1403 86,1404 248.428,1405 95.862,1406 236.1,1407 320.17,1408 220,1409 101,1410 236.008,1411 110.476,1412 237.111,1413 348.13,1414 222,1415 7.585}
{0 CHEMBL544398,1 1.465,2 7.111,3 2.433,4 5.918,5 71.784,6 6.536,7 0.316,8 3.708,9 3.84,10 3.165,11 3.167,12 4.726,13 3.134,14 4.284,15 4.506,16 3.515,17 3.56,18 5.257,19 3.506,20 4.444,21 4.631,22 3.571,23 3.725,24 5.422,25 3.638,26 4.665,27 4.91,28 3.477,29 3.716,30 5.605,31 3.609,32 4.487,33 4.733,34 3.289,35 3.611,36 5.383,37 3.465,38 4.391,39 4.663,40 3.175,41 3.436,42 5.314,43 3.301,44 4.242,45 4.491,46 2.785,47 3.269,48 5.153,49 3.094,50 4.09,51 4.409,52 2.415,53 2.999,54 4.82,55 2.744,56 0.015,57 0.535,58 9.051,59 3.429,60 6.338,61 4.989,62 0.384,63 0.832,64 17.084,65 5.27,66 25.428,67 8.069,68 0.087,69 0.958,70 19.4,71 7.356,72 19.59,73 10.426,74 0.392,75 1,76 25.402,77 7.85,78 47.555,79 11.367,80 0.235,81 0.905,82 20.623,83 7.119,84 25.575,85 10.523,86 0.179,87 0.784,88 18.829,89 6.002,90 29.975,91 9.136,92 0.337,93 0.655,94 16.562,95 5.195,96 32.44,97 7.582,98 0.083,99 0.541,100 13.644,101 4.503,102 17.951,103 7.142,104 32,105 27,106 0.27,107 0.536,108 0.697,109 0.778,110 0.778,111 0.778,112 2.961,113 0.975,114 -3.35,115 -3.33,116 -3.19,121 36.8,123 2,126 4,129 1,144 3,145 2,146 1,161 1,176 6,179 3,180 4,187 7,192 6,200 5,206 7,214 3,218 1,219 7,232 4,243 2,281 338,282 11.621,283 11.621,284 11.621,285 11.621,286 11.621,287 10.764,288 15.993,289 6.692,290 11.939,291 9.324,292 9.324,293 9.324,294 9.324,295 9.324,296 7.918,297 19.862,298 3.102,299 9.795,300 3.783,301 2.342,302 1.468,303 1.027,304 1.027,305 1.027,306 3.607,310 1,311 1,312 1,313 258,314 3.464,317 35.439,318 45.078,321 68.019,325 1.136,326 14.072,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 39,338 128,339 4.475,340 3.775,341 6.79,342 4.18,343 3.202,344 4.083,345 2.208,346 11.149,347 3.135,348 3.9,349 3.458,350 6.006,351 3.638,352 2.71,353 3.092,354 0.916,355 8.43,356 2.497,357 3.62,358 2.84,359 5.696,360 3.383,361 2.436,362 2.781,363 0.655,364 7.257,365 2.297,366 3.016,367 2.151,368 4.923,369 2.721,370 1.786,371 2.144,372 0.172,373 5.102,374 1.664,375 2.923,376 1.967,377 4.169,378 2.546,379 1.546,380 2.056,381 0.13,382 3.715,383 1.545,384 2.327,385 1.704,386 3.688,387 2.04,388 1.097,389 1.24,391 2.573,392 1.018,393 2.134,394 1.238,395 3.544,396 1.986,397 1,398 1.102,400 2.418,401 0.984,402 1.813,403 1.033,404 3.217,405 1.632,406 0.652,407 0.727,409 1.577,410 0.633,411 1.179,412 0.537,413 2.466,414 0.784,415 -0.186,416 -0.236,418 -0.457,419 -0.177,420 0.542,421 -0.254,422 2.244,423 0.151,424 -0.833,425 -1,427 -2,428 -0.814,429 0.488,430 -0.6,431 2,432 0.087,433 -0.911,434 -1,436 -2,437 -0.896,439 -0.6,440 1.87,441 -0.1,442 -1,443 -1.018,445 -2.169,446 -0.9,448 -0.707,449 1.62,450 -0.1,451 -1,452 -1.202,454 -2.307,455 -0.9,456 -0.231,457 -0.913,458 1.397,459 -0.428,460 -1.405,461 -1.583,463 -4.179,464 -1.366,465 -0.275,466 -1.165,467 1.091,468 -0.5,469 -1.465,470 -1.811,471 -0.4,472 -4.59,473 -1.428,474 8.467,475 0.47,476 0.583,477 0.032,478 19.75,479 1.097,480 8,481 0.444,482 11.75,483 0.653,484 14.701,485 0.817,486 20.933,487 0.551,488 13.813,489 0.767,490 4.043,491 0.225,492 4.46,493 0.248,494 0.276,496 0.39,501 0.775,502 1.694,503 0.895,504 1.386,505 0.597,506 1.187,507 0.791,508 0.66,509 0.836,510 0.644,511 0.436,512 0.702,513 0.901,514 1.408,515 1.046,516 1.416,517 0.693,518 1.278,519 1.673,520 0.865,521 1.089,522 0.848,523 1.55,524 0.89,525 0.9,526 1.181,527 1.078,528 1.194,529 0.892,530 1.175,531 0.95,532 1.068,533 0.919,534 1.034,535 1.258,536 0.979,537 1.484,538 0.915,539 1.4,540 1.064,541 1.55,542 1.212,543 0.382,544 1.282,545 0.885,546 1.244,547 0.495,548 1.159,549 4,551 2.667,552 1.285,553 1.063,554 0.569,555 0.421,556 0.262,557 0.099,559 2340,560 5490,561 1.931,562 52.6,563 2,564 16,569 2,572 1.59,573 1.742,574 2.868,575 -0.763,577 1,578 1,579 1,582 55.68,583 1.465,584 2.906,585 3.78,586 4.221,587 4.221,588 4.221,589 2.261,590 3.461,591 4.14,592 2.98,593 455.94,594 7.046,595 4234.7,596 1,597 1,599 1,600 199.421,601 1.572,602 4.056,603 0.211,605 0.099,606 0.048,607 0.044,608 0.03,609 0.025,610 0.026,611 0.016,613 0.499,614 0.83,615 1,616 1.561,617 75.253,618 0.014,619 -0.389,620 0.071,621 -0.189,622 -0.03,623 -0.074,624 0.24,625 0.511,626 0.174,627 0.35,628 0.206,629 0.279,630 -0.011,631 -0.289,632 -0.087,633 -0.296,634 0.055,635 -0.213,636 -0.23,637 0.059,638 -0.058,639 0.11,640 -0.168,641 0.056,642 -0.001,643 -0.186,644 -0.121,645 -0.177,646 -0.023,647 -0.174,648 -0.02,649 -0.122,650 0.048,651 -0.074,652 -0.042,653 -0.01,654 -0.175,655 0.04,656 -0.391,657 -0.117,658 -0.246,659 -0.274,660 0.122,661 -0.426,662 0.015,663 -0.309,664 0.153,665 -0.187,666 1.989,667 4.621,668 0.5,669 11.84,670 0.995,671 1.136,672 2.118,673 4.488,674 0.626,675 2.996,676 3.332,677 3.584,678 3.807,679 3.97,680 4.043,681 4.06,682 4.094,683 3.829,684 3.497,685 4.457,686 0.585,687 248.36,688 2.996,689 4.533,690 5.38,691 6.263,692 7.14,693 8.03,694 8.916,695 9.81,696 10.701,697 11.598,698 5.3,701 1,705 1,715 3,720 3,722 6,737 1,741 38,743 7,744 1,745 19,747 39,748 14,749 6,750 3,751 3,756 2,757 3,767 3,770 3,772 7,773 7,777 1,782 1,786 1,790 1,793 20,794 4,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,855 1,859 1,864 4,868 18,876 2,878 1,880 1,881 2,893 5.3,896 1,898 1,901 10.333,902 8.067,903 3.972,904 2.181,907 1.359,908 1.22,909 0.919,910 3.808,911 7.541,912 3.178,913 3.701,914 4.186,915 4.667,916 5.125,917 5.291,918 5.506,919 5.72,920 5.447,921 5.28,922 0.8,923 27,924 6.659,926 2.702,927 0.026,929 7.694,931 12.874,933 10.253,936 2.194,937 39.5,938 0.002,941 235.422,942 85.46,943 6.249,945 36.145,948 85.46,949 271.567,950 6.249,951 33.586,952 8.193,953 28.429,954 25.145,955 25.739,956 6.763,957 235.422,959 235.422,960 91.709,961 36.145,964 211.88,965 59.687,968 11.318,969 80.391,972 235.422,973 42.393,974 85.46,977 235.422,978 23.446,979 68.263,981 36.145,982 235.422,983 42.393,984 85.46,986 0.591,987 0.344,988 0.169,989 0.092,990 13,991 7,992 0.077,993 3,994 1,995 1.222,996 2.893,997 126.586,998 0.222,999 9,1000 71.059,1005 13.217,1006 5.186,1007 2.638,1009 42.393,1010 5.956,1015 3.158,1018 363.276,1019 23,1024 11.621,1028 -0.322,1031 37.811,1032 43.152,1034 0.279,1035 0.554,1036 0.72,1037 0.804,1038 0.804,1039 0.804,1040 4.437,1041 0.652,1042 5.398,1043 2.418,1044 4.007,1045 4.382,1046 2.458,1047 6.24,1048 3.918,1049 5.629,1050 -0.186,1051 6.991,1052 1.577,1053 3.761,1054 4.27,1055 1.905,1056 7.256,1057 3.614,1058 6.933,1059 -0.833,1060 8.687,1061 -0.457,1062 5.631,1063 6.46,1064 3.555,1065 10.349,1066 5.464,1067 8.273,1068 -0.911,1069 10.44,1070 -2,1071 6.176,1072 7.138,1073 3.668,1074 12.185,1075 5.965,1076 9.647,1077 -1,1078 12.229,1079 -2,1080 7.576,1081 8.886,1082 4.96,1083 14.818,1084 7.35,1085 11.044,1086 -1,1087 14.042,1088 -2.169,1089 8.456,1090 9.922,1091 5.372,1092 16.984,1093 8.203,1094 12.459,1095 -1.405,1096 15.873,1097 -2.307,1098 9.687,1099 11.494,1100 6.459,1101 19.467,1102 9.42,1103 3.202,1104 -1.465,1105 17.717,1106 -4.179,1107 10.715,1108 12.707,1109 7.028,1110 21.771,1111 10.429,1112 2.71,1113 11.149,1114 19.572,1115 -4.59,1116 11.886,1117 14.198,1118 7.994,1119 24.203,1120 11.587,1121 2.436,1122 8.43,1123 21.434,1124 4.083,1125 12.98,1126 15.502,1127 8.654,1128 26.567,1129 12.667,1130 1.786,1131 7.257,1132 23.304,1133 3.092,1134 14.133,1135 16.953,1136 9.549,1137 28.983,1138 13.807,1139 1.546,1140 5.102,1141 25.18,1142 2.781,1143 15.258,1144 18.305,1145 10.263,1146 31.372,1147 14.918,1148 1.097,1149 3.715,1150 27.061,1151 2.144,1152 16.407,1153 19.736,1154 11.116,1155 33.784,1156 16.054,1157 1,1158 2.573,1159 28.946,1160 2.056,1161 17.548,1162 21.113,1163 11.862,1164 36.184,1165 17.181,1166 2493,1167 3905,1168 11.849,1169 23.773,1170 29.049,1171 29.939,1172 30.593,1173 28.925,1174 28.859,1175 34.451,1176 8.163,1177 84.44,1178 27.549,1179 5.367,1180 5.775,1181 6.308,1182 5.244,1183 5.202,1184 7.083,1185 3.912,1186 18.453,1187 5.135,1188 11.207,1189 1.529,1190 1.576,1191 1.61,1192 1.522,1193 1.519,1194 1.813,1195 0.43,1196 4.444,1197 1.45,1198 4.037,1199 4.065,1200 3.978,1201 3.964,1202 7.433,1203 3.963,1204 3.644,1205 3.705,1206 3.558,1207 3.401,1208 4.809,1209 3.417,1210 3.542,1211 3.622,1212 3.408,1213 3.321,1214 4.347,1215 3.341,1216 3.315,1217 3.398,1218 3.122,1219 3.133,1220 4.241,1221 3.12,1222 3.063,1223 3.083,1224 2.929,1225 2.825,1226 4.049,1227 2.84,1228 2.874,1229 3.009,1230 2.642,1231 2.618,1232 3.902,1233 2.57,1234 2.874,1235 3.009,1236 2.499,1237 2.618,1238 3.467,1239 2.57,1240 2.781,1241 2.829,1242 2.499,1243 2.539,1244 3.467,1245 2.568,1246 0.236,1247 0.199,1248 0.357,1249 0.22,1250 0.169,1251 4.475,1252 0.215,1253 3.775,1254 0.116,1255 6.79,1256 0.587,1257 4.18,1258 0.165,1259 3.202,1260 4.083,1261 2.208,1262 11.149,1263 3.135,1264 1.895,1265 1.877,1266 1.99,1267 1.991,1268 1.211,1269 1.989,1270 1.642,1271 1.574,1272 1.878,1273 1.861,1274 1.175,1275 1.868,1276 1.512,1277 1.435,1278 1.782,1279 1.797,1280 0.834,1281 1.797,1282 1.335,1283 1.246,1284 1.663,1285 1.561,1286 0.776,1287 1.602,1288 0.981,1289 0.924,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.934,1295 0.864,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.934,1301 0.804,1302 1.252,1303 1.235,1304 0.45,1305 1.191,1306 0.885,1307 0.804,1308 1.063,1309 1.14,1310 0.114,1311 1.163,1312 3.664,1314 4.99,1315 2.398,1316 6.506,1317 4.727,1318 8.111,1319 6.862,1320 9.766,1322 7.54,1328 2.05,1330 5.415,1332 0.429,1333 3.654,1340 22.214,1341 55.68,1342 110.425,1343 143.647,1344 160.402,1345 160.402,1346 160.402,1347 27.66,1348 6.182,1349 32.78,1350 32.78,1351 11,1352 12.123,1353 3,1354 2.322,1355 30.861,1356 48,1357 42,1358 0.339,1359 140.148,1360 244.16,1361 333.721,1362 3009,1364 13.284,1365 0.738,1366 0.635,1367 13.284,1368 11.435,1369 8.503,1370 0.448,1371 0.325,1372 6.06,1373 8.092,1374 5.74,1375 4.87,1376 8.503,1377 6.178,1378 7.961,1379 0.295,1380 0.189,1381 7.961,1382 5.104,1383 6.32,1384 0.181,1385 0.097,1386 6.32,1387 3.382,1388 4.844,1389 0.11,1390 0.055,1391 4.844,1392 2.416,1393 3.737,1394 0.072,1395 0.029,1396 3.737,1397 1.528,1398 0.506,1399 53.899,1400 0.291,1401 17.711,1402 0.999,1403 92,1404 264.761,1405 102.25,1406 251.404,1407 338.55,1408 234,1409 108,1410 245.782,1411 118.642,1412 252.204,1413 365.55,1414 231,1415 7.886}
{0 CHEMBL544592,1 1.46,2 16.344,3 4.766,4 22.715,5 125.3,6 7.209,7 0.529,8 4.163,9 4.275,10 3.694,11 3.698,12 5.281,13 3.674,14 4.678,15 4.849,16 3.989,17 4.04,18 5.791,19 3.993,20 4.899,21 5.09,22 4.023,23 4.159,24 5.958,25 4.084,26 4.981,27 5.207,28 3.947,29 4.121,30 6.038,31 4.032,32 4.891,33 5.102,34 3.894,35 4.119,36 5.921,37 4.014,38 4.953,39 5.2,40 3.811,41 4.1,42 5.884,43 3.964,44 4.866,45 5.117,46 3.678,47 3.974,48 5.76,49 3.837,50 4.733,51 4.974,52 3.604,53 3.838,54 5.659,55 3.723,56 0.009,57 0.799,58 12.425,59 5.687,60 7.731,61 7.302,62 0.377,63 1.257,64 23.161,65 8.854,66 34.835,67 11.774,68 0.235,69 1.472,70 29.733,71 11.692,72 41.824,73 15.312,74 0.487,75 1.532,76 34.258,77 12.039,78 70.613,79 16.054,80 0.323,81 1.463,82 29.98,83 11.538,84 53.066,85 15.506,86 0.381,87 1.523,88 32.964,89 12.405,90 56.637,91 17.273,92 0.385,93 1.392,94 30.543,95 11.003,96 49.09,97 15.29,98 0.272,99 1.2,100 26.639,101 9.525,102 41.577,103 13.023,104 20,105 44,106 0.236,107 0.53,108 0.7,109 0.824,110 0.864,111 0.864,112 3.501,113 0.931,114 -4.77,115 -4.68,116 -4.4,121 43.3,123 1,126 2,127 3,144 13,145 3,146 2,159 1,161 1,176 14,179 1,180 9,183 2,187 15,192 10,200 11,205 1,206 9,211 2,214 11,218 1,219 4,224 2,227 13,231 1,232 5,237 1,239 8,243 1,244 7,247 1,251 3,256 5,264 3,268 1,269 3,274 1,277 8,281 1906,282 21.714,283 21.714,284 21.714,285 21.714,286 21.714,287 19.333,288 22.081,289 13.252,290 22.129,291 16.738,292 16.738,293 16.738,294 16.738,295 16.738,296 13.111,297 26.787,298 6.28,299 17.32,300 4.447,301 2.625,302 1.573,303 0.804,304 0.558,305 0.558,306 4.186,311 1,312 1,313 1101,314 4.301,318 390.405,325 2.531,326 28.046,329 1,330 0.83,331 0.83,332 0.8,333 0.5,334 0.83,335 0.5,336 0.76,337 69,338 523,339 4.331,340 3.66,341 6.391,342 3.993,343 2.974,344 3.916,345 2.186,346 9.667,347 3.029,348 4.105,349 3.58,350 5.681,351 3.723,352 2.761,353 3.688,354 0.916,355 7.996,356 2.661,357 3.903,358 2.986,359 5.413,360 3.478,361 2.52,362 3.463,363 0.86,364 7.096,365 2.419,366 3.672,367 2.872,368 5.29,369 3.378,370 2.447,371 2.886,372 0.366,373 6.815,374 2.259,375 3.516,376 2.63,377 5.132,378 3.128,379 2.169,380 2.88,381 0.172,382 6.119,383 2.071,384 3.376,385 2.23,386 4.862,387 3.083,388 2.111,389 2.514,391 5.592,392 2.029,393 3.083,394 2.169,395 4.584,396 2.766,397 1.794,398 2.176,400 4.812,401 1.733,402 2.966,403 2.004,404 3.906,405 2.516,406 1.524,407 2.137,409 3.345,410 1.507,411 2.663,412 1.584,413 3.57,414 2.314,415 1.353,416 1.733,418 2.922,419 1.292,420 2.5,421 1.323,422 3.483,423 2.17,424 1.181,425 1.5,427 2.598,428 1.165,429 2.5,430 1.275,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.475,439 1.101,440 3.327,441 2,442 1,443 1.449,445 2.136,446 1,447 2.343,448 1,449 3.247,450 1.832,451 0.79,452 1.167,454 1.895,455 0.814,456 1.543,457 1,458 2.95,459 1.338,460 0.408,461 0.45,463 0.934,464 0.376,465 1.507,466 0.762,467 2.816,468 1.298,469 0.382,470 0.409,472 0.558,473 0.346,474 15.133,475 0.473,476 0.626,477 0.02,478 41.75,479 1.305,480 22,481 0.688,482 19.75,483 0.617,484 24.454,485 0.764,486 34.667,487 0.578,488 33.043,489 1.033,490 8.776,491 0.274,492 6.77,493 0.212,494 0.11,496 0.258,501 0.753,502 1.3,503 0.814,504 1.145,505 0.586,506 1.01,507 0.868,508 0.917,509 0.938,510 0.931,511 0.567,512 0.928,513 1.117,514 1.125,515 1.02,516 1.122,517 0.832,518 1.07,519 1.324,520 0.9,521 1.031,522 0.891,523 1.317,524 0.913,525 0.999,526 1.086,527 1.081,528 1.096,529 1.153,530 1.104,531 0.762,532 1.05,533 0.97,534 1.046,535 0.633,536 1.045,537 0.924,538 0.964,539 1.041,540 1.012,541 0.751,542 1.04,543 1.115,544 1.067,545 1.038,546 1.051,547 0.829,548 1.036,549 6,550 0.103,551 2.667,552 1.938,553 1.156,554 0.688,555 0.584,556 0.382,557 0.214,558 0.133,559 17168,560 46947,561 2.03,562 46.7,564 25,567 1,570 2,572 1.735,573 1.92,574 3.973,575 -0.403,582 87.596,583 1.46,584 3.282,585 4.334,586 5.102,587 5.348,588 5.348,589 3.406,590 4.438,591 4.973,592 4.165,593 2066.07,594 8.645,595 34103,597 1,600 354.413,601 1.299,602 4.94,603 0.176,604 0.004,605 0.061,606 0.044,607 0.029,608 0.018,609 0.017,610 0.013,611 0.008,612 0.005,613 0.376,614 0.17,615 0.88,616 1,617 175.656,618 -0.016,619 -0.144,620 0.047,621 -0.075,622 -0.04,623 -0.015,624 0.115,625 0.193,626 0.005,627 0.064,628 0.105,629 0.031,630 -0.084,631 -0.125,632 -0.058,633 -0.111,634 0.019,635 -0.085,636 -0.116,637 0.065,638 -0.013,639 0.076,640 -0.062,641 0.051,642 -0.06,643 -0.088,644 -0.118,645 -0.097,646 -0.101,647 -0.116,648 0.056,649 -0.095,650 0.003,651 -0.057,652 0.03,653 -0.041,654 -0.01,655 0.004,656 -0.049,657 -0.046,658 -0.041,659 -0.055,660 -0.082,661 -0.111,662 -0.036,663 -0.082,664 -0.041,665 -0.056,666 2.148,667 5.458,668 0.563,669 41.508,670 1,671 1.121,672 3.541,673 12.538,674 0.662,675 3.555,676 3.807,677 3.989,678 4.159,679 4.317,680 4.277,681 4.331,682 4.344,683 4.263,684 4.263,685 9.457,686 0.629,687 432.56,688 3.555,689 5.056,690 5.861,691 6.693,692 7.512,693 8.349,694 9.173,695 10.013,696 10.84,697 11.682,698 3.3,701 1,705 1,715 13,720 5,722 18,727 1,737 1,739 1,741 60,743 20,744 3,745 34,747 62,748 26,749 18,750 5,751 13,752 1,756 3,757 3,770 1,772 20,773 6,777 2,782 2,786 2,793 28,794 6,795 1,796 6,802 2,808 1,809 4,829 3,855 1,859 3,864 2,868 32,876 4,877 1,878 2,881 1,893 6.7,896 2,898 2,901 16.667,902 11.2,903 7.306,904 3.476,907 3.075,908 1.418,909 0.952,910 8.847,911 10.427,912 3.829,913 4.337,914 4.822,915 5.306,916 5.791,917 5.821,918 6.069,919 6.237,920 6.315,921 6.503,922 0.909,923 44,924 11.813,926 4.808,927 0.026,929 7.786,931 22.459,933 17.499,936 2.286,937 73.167,940 1,941 317.82,942 183.262,943 21.135,945 72.29,948 183.262,949 390.109,950 21.135,951 16.793,952 29.349,953 123.191,954 55.423,955 45.168,956 6.763,957 317.82,959 317.82,960 204.397,961 72.29,964 294.278,965 95.832,968 32.473,969 171.924,972 317.82,973 93.425,974 183.262,977 317.82,978 43.278,979 143.108,980 18.011,981 72.29,982 317.82,983 93.425,984 183.262,986 0.563,987 0.317,988 0.162,989 0.087,990 17,991 8,992 0.177,993 11,995 1,996 4.546,997 257.133,999 18,1000 152,1005 23.519,1006 12.037,1007 7.503,1009 93.425,1010 23.983,1015 3.651,1017 18.011,1018 594.506,1019 45,1024 23.807,1028 -0.478,1031 60,1032 67.232,1034 0.247,1035 0.556,1036 0.734,1037 0.864,1038 0.905,1039 0.905,1040 5.021,1041 1.524,1042 5.802,1043 4.812,1044 4.489,1045 5.024,1046 2.527,1047 6.509,1048 4.43,1049 6.184,1050 1.353,1051 7.296,1052 3.345,1053 3.892,1054 4.59,1055 1.847,1056 7.191,1057 3.815,1058 7.447,1059 1.181,1060 8.887,1061 2.922,1062 5.984,1063 7.09,1064 3.551,1065 10.24,1066 5.88,1067 8.742,1068 1,1069 10.534,1070 2.598,1071 6.196,1072 7.444,1073 3.603,1074 11.755,1075 6.095,1076 10.067,1077 1,1078 12.22,1079 2.275,1080 7.726,1081 9.418,1082 4.916,1083 14.304,1084 7.607,1085 11.413,1086 0.79,1087 13.933,1088 2.136,1089 8.336,1090 10.165,1091 5.291,1092 16.196,1093 8.239,1094 12.776,1095 0.408,1096 15.667,1097 1.895,1098 9.612,1099 11.884,1100 6.389,1101 18.562,1102 9.507,1103 2.974,1104 0.382,1105 17.416,1106 0.934,1107 10.434,1108 12.856,1109 6.93,1110 20.639,1111 10.36,1112 2.761,1113 9.667,1114 19.18,1115 0.558,1116 11.59,1117 14.429,1118 7.902,1119 22.937,1120 11.519,1121 2.52,1122 7.996,1123 20.954,1124 3.916,1125 12.525,1126 15.538,1127 8.539,1128 25.106,1129 12.489,1130 2.447,1131 7.096,1132 22.739,1133 3.688,1134 13.626,1135 17.023,1136 9.436,1137 27.378,1138 13.603,1139 2.169,1140 6.815,1141 24.532,1142 3.463,1143 14.623,1144 18.219,1145 10.13,1146 29.594,1147 14.634,1148 2.111,1149 6.119,1150 26.333,1151 2.886,1152 15.701,1153 19.649,1154 10.981,1155 31.859,1156 15.732,1157 1.794,1158 5.592,1159 28.141,1160 2.88,1161 16.731,1162 20.901,1163 11.71,1164 34.098,1165 16.794,1166 16647,1167 27669,1168 22.652,1169 39.728,1170 49.259,1171 51.334,1172 50.483,1173 48.83,1174 48.829,1175 63.733,1176 9.003,1177 129.517,1178 47.401,1179 5.263,1180 5.66,1181 6.193,1182 5.058,1183 4.974,1184 6.916,1185 3.889,1186 16.41,1187 5.029,1188 15.77,1189 1.449,1190 1.51,1191 1.485,1192 1.436,1193 1.436,1194 1.875,1195 0.265,1196 3.809,1197 1.394,1198 4.001,1199 4.021,1200 3.948,1201 3.93,1202 7.435,1203 3.931,1204 3.932,1205 3.959,1206 3.873,1207 3.854,1208 7.427,1209 3.853,1210 3.823,1211 3.85,1212 3.752,1213 3.755,1214 4.849,1215 3.75,1216 3.666,1217 3.73,1218 3.538,1219 3.487,1220 4.807,1221 3.486,1222 3.528,1223 3.589,1224 3.436,1225 3.218,1226 4.717,1227 3.263,1228 3.357,1229 3.425,1230 3.238,1231 3.14,1232 4.348,1233 3.152,1234 3.186,1235 3.202,1236 3.082,1237 3.035,1238 4.29,1239 3.042,1240 3.03,1241 3.084,1242 2.85,1243 2.808,1244 4.175,1245 2.799,1246 0.127,1247 0.108,1248 0.188,1249 0.117,1250 0.087,1251 4.331,1252 0.115,1253 3.66,1254 0.064,1255 6.391,1256 0.284,1257 3.993,1258 0.089,1259 2.974,1260 3.916,1261 2.186,1262 9.667,1263 3.029,1264 1.958,1265 1.94,1266 2.055,1267 2.043,1268 1.254,1269 2.047,1270 1.91,1271 1.885,1272 2.032,1273 2.021,1274 1.138,1275 2.025,1276 1.823,1277 1.798,1278 1.952,1279 1.923,1280 1.109,1281 1.933,1282 1.641,1283 1.575,1284 1.875,1285 1.842,1286 1.006,1287 1.853,1288 1.404,1289 1.336,1290 1.691,1291 1.731,1292 0.781,1293 1.717,1294 1.323,1295 1.248,1296 1.632,1297 1.576,1298 0.681,1299 1.597,1300 1.125,1301 1.107,1302 1.355,1303 1.312,1304 0.498,1305 1.292,1306 1.003,1307 0.927,1308 1.266,1309 1.264,1310 0.415,1311 1.279,1312 4.234,1314 5.501,1316 6.954,1318 8.486,1320 10.059,1322 3.566,1328 3.026,1329 2.435,1330 10.992,1333 2.185,1340 37.75,1341 87.596,1342 196.899,1343 260.043,1344 306.149,1345 320.904,1346 320.904,1347 64.486,1348 7.351,1349 67.87,1350 67.87,1351 18,1352 12.249,1353 4.392,1354 3.585,1355 61.911,1356 187,1357 160,1358 0.157,1359 235.363,1360 416.7,1361 566.047,1362 18552,1364 22.761,1365 0.711,1366 0.575,1367 22.761,1368 18.414,1369 15.546,1370 0.457,1371 0.31,1372 10.396,1373 14.96,1374 10.089,1375 8.46,1376 15.546,1377 10.546,1378 13.311,1379 0.303,1380 0.169,1381 13.311,1382 7.446,1383 10.647,1384 0.201,1385 0.092,1386 10.647,1387 4.871,1388 8.226,1389 0.131,1390 0.051,1391 8.226,1392 3.239,1393 6.331,1394 0.086,1395 0.028,1396 6.331,1397 2.072,1398 0.264,1399 97.41,1400 0.21,1401 31.249,1402 0.391,1403 156,1404 484.92,1405 171.536,1406 461.906,1407 619.17,1408 432,1409 175,1410 440.169,1411 189.46,1412 446.192,1413 642.37,1414 417,1415 8.268}
{0 CHEMBL544636,1 1.461,2 9.1,3 3.438,4 11.818,5 78.817,6 6.809,7 0.286,8 3.756,9 3.883,10 3.24,11 3.257,12 4.832,13 3.224,14 4.307,15 4.507,16 3.563,17 3.623,18 5.337,19 3.561,20 4.521,21 4.739,22 3.593,23 3.747,24 5.493,25 3.659,26 4.599,27 4.822,28 3.49,29 3.712,30 5.632,31 3.61,32 4.522,33 4.777,34 3.381,35 3.6,36 5.515,37 3.489,38 4.264,39 4.476,40 3.26,41 3.501,42 5.295,43 3.397,44 4.267,45 4.506,46 3.167,47 3.419,48 5.306,49 3.288,50 4.168,51 4.43,52 2.914,53 3.246,54 5.147,55 3.106,56 0.023,57 0.557,58 8.992,59 3.668,60 8.323,61 5.072,62 0.332,63 0.88,64 16.851,65 5.783,66 26.75,67 8.428,68 0.151,69 1.024,70 20.899,71 7.519,72 25.75,73 10.7,74 0.305,75 1.017,76 23.435,77 7.776,78 49.974,79 10.804,80 0.335,81 0.917,82 21.951,83 7.22,84 44.936,85 10.25,86 0.171,87 0.773,88 16.241,89 5.976,90 27.51,91 8.29,92 0.202,93 0.758,94 16.421,95 5.965,96 31.254,97 8.489,98 0.191,99 0.665,100 15.195,101 4.899,102 36.214,103 7.206,104 30,105 28,106 0.263,107 0.643,108 0.858,109 0.879,110 0.879,111 0.879,112 3.057,113 0.983,114 -3.77,115 -3.73,116 -3.55,121 40,122 1,123 2,126 1,127 2,129 1,142 1,143 1,144 3,145 2,146 1,161 1,176 7,179 3,180 3,185 3,187 8,192 2,197 4,200 6,206 7,211 1,214 3,219 6,222 1,224 1,227 5,232 2,239 6,244 5,247 2,251 4,256 1,264 2,269 2,274 1,277 2,281 474,282 13.516,283 13.516,284 13.516,285 13.516,286 13.516,287 12.479,288 20.096,289 8.119,290 13.835,291 10.242,292 10.242,293 10.242,294 10.242,295 10.242,296 8.499,297 24.298,298 3.714,299 10.693,300 3.861,301 1.753,302 0.557,303 0.438,304 0.438,305 0.438,306 3.714,310 1,311 1,312 1,313 368,314 3.606,317 46.42,318 52.019,321 82.392,325 1.42,326 17.684,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 43,338 182,339 4.382,340 3.774,341 6.547,342 4.083,343 3.096,344 3.981,345 2.208,346 10.365,347 3.058,348 3.94,349 3.357,350 5.91,351 3.665,352 2.738,353 3.161,354 0.911,355 8.134,356 2.517,357 3.553,358 2.648,359 5.27,360 3.225,361 2.275,362 2.775,363 0.655,364 6.598,365 2.155,366 3.48,367 2.49,368 5.092,369 2.937,370 1.972,371 2.329,372 0.44,373 5.909,374 1.9,375 3.141,376 2.144,377 4.171,378 2.438,379 1.456,380 2.006,381 0.13,382 3.576,383 1.427,384 2.583,385 2.12,386 3.84,387 2.27,388 1.3,389 1.532,391 2.912,392 1.248,393 2.519,394 1.375,395 3.451,396 2.16,397 1.169,398 1.446,400 2.551,401 1.15,402 2.02,403 0.996,404 3.199,405 1.728,406 0.741,407 0.887,409 1.629,410 0.729,411 1.699,412 0.679,413 2.74,414 1.186,415 0.231,416 0.288,418 0.379,419 0.219,420 1.202,421 0.44,422 2.437,423 1.11,424 0.143,425 0.156,427 0.201,428 0.137,429 1.138,430 0.351,431 2.26,432 0.733,433 -0.24,434 -0.305,436 -0.546,437 -0.229,438 0.617,439 -0.278,440 2,441 0.205,442 -0.775,443 -1.004,445 -1.675,446 -0.752,447 0.577,448 -0.52,449 1.929,450 0.141,451 -0.858,452 -1.16,454 -2.401,455 -0.855,456 0.163,457 -0.775,458 1.59,459 -0.148,460 -1.137,461 -1.36,463 -2.708,464 -1.118,465 -0.187,466 -0.896,467 1.289,468 -0.368,469 -1.305,470 -1.471,472 -2.836,473 -1.223,474 9.467,475 0.473,476 0.435,477 0.022,478 22.5,479 1.125,480 10,481 0.5,482 12.5,483 0.625,484 16.013,485 0.801,486 22.333,487 0.558,488 15.585,489 0.779,490 4.508,491 0.225,492 5.143,493 0.257,494 0.194,496 0.306,501 0.803,502 1.442,503 0.875,504 1.22,505 0.633,506 1.076,507 0.686,508 0.961,509 0.895,510 0.906,511 0.459,512 0.91,513 0.999,514 1.172,515 0.974,516 1.133,517 0.711,518 1.058,519 1.637,520 1.039,521 1.182,522 1.037,523 1.491,524 1.052,525 1.364,526 0.824,527 0.97,528 0.822,529 1.389,530 0.846,531 1.249,532 1.062,533 1.111,534 1.067,535 1.137,536 1.077,537 0.837,538 1.1,539 1.024,540 1.158,541 1.103,542 1.132,543 1.244,544 0.973,545 1.114,546 0.955,547 1.547,548 1.004,549 4,550 0.033,551 2.444,552 1.229,553 0.893,554 0.479,555 0.426,556 0.333,557 0.177,558 0.085,559 3442,560 8788,561 1.966,562 50,563 2,564 11,565 1,567 1,569 5,572 1.618,573 1.818,574 3.179,575 -0.32,577 1,579 1,582 58.439,583 1.461,584 3.569,585 4.765,586 4.884,587 4.884,588 4.884,589 2.709,590 3.846,591 4.287,592 3.286,593 624.28,594 7.331,595 6429.6,596 1,597 1,598 1,599 1,600 212.877,601 1.485,602 4.237,603 0.19,604 0.007,605 0.087,606 0.044,607 0.037,608 0.022,609 0.021,610 0.02,611 0.014,612 0.011,613 0.452,614 0.67,615 1,616 1.893,617 89.008,618 -0.014,619 -0.214,620 0.048,621 -0.103,622 -0.024,623 -0.032,624 0.297,625 0.176,626 0.078,627 0.093,628 0.165,629 0.065,630 -0.038,631 -0.137,632 -0.009,633 -0.126,634 0.028,635 -0.069,636 -0.219,637 -0.079,638 -0.161,639 -0.07,640 -0.161,641 -0.104,642 -0.07,643 0.096,644 0.047,645 0.128,646 -0.104,647 0.105,648 -0.16,649 -0.055,650 -0.138,651 -0.047,652 -0.167,653 -0.086,654 0.102,655 -0.121,656 -0.06,657 -0.167,658 -0.03,659 -0.148,660 -0.165,661 -0.013,662 -0.121,663 -0.018,664 -0.127,665 -0.056,666 2.001,667 4.759,668 0.45,669 16.34,670 0.995,671 1.129,672 2.538,673 6.441,674 0.644,675 3.091,676 3.367,677 3.611,678 3.807,679 3.97,680 4.043,681 4.159,682 4.248,683 4.078,684 3.951,685 5.311,686 0.605,687 272.38,688 3.091,689 4.595,690 5.425,691 6.282,692 7.14,693 8.009,694 8.878,695 9.753,696 10.628,697 11.506,698 5,700 1,705 1,715 3,720 3,722 6,737 1,741 40,743 8,744 1,745 21,747 41,748 16,749 6,750 3,751 3,756 2,757 3,763 1,767 3,770 3,771 2,772 7,773 7,777 1,782 1,786 1,789 1,790 1,793 20,794 4,795 1,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,836 1,837 1,853 1,859 1,864 2,868 20,876 4,877 1,878 1,880 1,881 1,885 1,886 1,891 1,893 5,896 1,898 1,901 11,902 7.7,903 4.667,904 2.524,907 1.482,908 1.232,909 0.928,910 4.917,911 7.865,912 3.332,913 3.773,914 4.223,915 4.676,916 5.144,917 5.341,918 5.638,919 5.88,920 5.731,921 5.758,922 1,923 28,924 7.38,926 2.987,927 0.026,929 7.775,931 14.15,933 11.188,936 2.275,937 45.5,938 0.001,941 223.651,942 113.66,943 21.135,945 36.145,948 113.66,949 259.796,950 21.135,951 17.222,952 12.405,953 46.439,954 25.145,955 22.614,956 58.885,957 211.88,959 223.651,960 134.795,961 36.145,964 164.795,965 95,968 39.241,969 78.523,970 17.031,972 223.651,973 57.28,974 113.66,977 223.651,978 27.658,979 48.775,980 35.041,981 59.466,982 223.651,983 57.28,984 113.66,986 0.563,987 0.333,988 0.165,989 0.088,990 12,991 6,992 0.122,993 5,994 1,995 1.222,996 3.202,997 140.574,998 0.222,999 9,1000 86.439,1005 14.741,1006 6.671,1007 3.472,1009 57.28,1010 5.823,1015 3.066,1017 18.011,1018 394.591,1019 27,1024 11.759,1028 -0.335,1031 39.811,1032 45.152,1034 0.275,1035 0.671,1036 0.895,1037 0.918,1038 0.918,1039 0.918,1040 4.57,1041 0.741,1042 5.398,1043 2.551,1044 4.043,1045 4.454,1046 2.503,1047 6.184,1048 3.964,1049 5.744,1050 0.231,1051 6.948,1052 1.629,1053 3.611,1054 4.182,1055 1.847,1056 7.066,1057 3.489,1058 7.029,1059 0.143,1060 8.6,1061 0.379,1062 5.609,1063 6.48,1064 3.569,1065 10.14,1066 5.456,1067 8.347,1068 -0.24,1069 10.31,1070 0.201,1071 6.019,1072 7.04,1073 3.656,1074 11.855,1075 5.835,1076 9.694,1077 -0.775,1078 12.057,1079 -0.546,1080 7.474,1081 8.832,1082 4.964,1083 14.44,1084 7.267,1085 11.062,1086 -0.858,1087 13.83,1088 -1.675,1089 8.263,1090 9.779,1091 5.37,1092 16.505,1093 8.041,1094 12.447,1095 -1.137,1096 15.622,1097 -2.401,1098 9.506,1099 11.365,1100 6.459,1101 18.924,1102 9.267,1103 3.096,1104 -1.305,1105 17.427,1106 -2.708,1107 10.471,1108 12.509,1109 7.028,1110 21.142,1111 10.224,1112 2.738,1113 10.365,1114 19.243,1115 -2.836,1116 11.63,1117 13.997,1118 7.994,1119 23.502,1120 11.372,1121 2.275,1122 8.134,1123 21.069,1124 3.981,1125 12.675,1126 15.246,1127 8.654,1128 25.786,1129 12.412,1130 1.972,1131 6.598,1132 22.901,1133 3.161,1134 13.803,1135 16.685,1136 9.549,1137 28.127,1138 13.533,1139 1.456,1140 5.909,1141 24.74,1142 2.775,1143 14.885,1144 17.991,1145 10.263,1146 30.44,1147 14.612,1148 1.3,1149 3.576,1150 26.583,1151 2.329,1152 16.004,1153 19.404,1154 11.116,1155 32.776,1156 15.725,1157 1.169,1158 2.912,1159 28.431,1160 2.006,1161 17.105,1162 20.742,1163 11.862,1164 35.102,1165 16.822,1166 3604,1167 5832,1168 13.523,1169 25.773,1170 31.489,1171 31.515,1172 32.439,1173 30.268,1174 30.24,1175 37.121,1176 8.689,1177 84.509,1178 29.079,1179 5.271,1180 5.774,1181 6.409,1182 5.153,1183 5.096,1184 6.981,1185 3.912,1186 17.023,1187 5.058,1188 11.16,1189 1.499,1190 1.501,1191 1.545,1192 1.441,1193 1.44,1194 1.768,1195 0.414,1196 4.024,1197 1.385,1198 4.032,1199 4.061,1200 3.971,1201 3.962,1202 7.433,1203 3.96,1204 3.693,1205 3.756,1206 3.602,1207 3.458,1208 5.432,1209 3.477,1210 3.567,1211 3.627,1212 3.459,1213 3.425,1214 4.811,1215 3.427,1216 3.395,1217 3.445,1218 3.266,1219 3.277,1220 4.339,1221 3.267,1222 3.193,1223 3.274,1224 3.018,1225 2.953,1226 4.19,1227 2.957,1228 3.014,1229 3.08,1230 2.85,1231 2.86,1232 3.992,1233 2.847,1234 2.92,1235 2.972,1236 2.694,1237 2.621,1238 3.74,1239 2.641,1240 2.732,1241 2.815,1242 2.557,1243 2.533,1244 3.643,1245 2.527,1246 0.209,1247 0.18,1248 0.312,1249 0.194,1250 0.147,1251 4.382,1252 0.19,1253 3.774,1254 0.105,1255 6.547,1256 0.494,1257 4.083,1258 0.146,1259 3.096,1260 3.981,1261 2.208,1262 10.365,1263 3.058,1264 1.894,1265 1.876,1266 1.987,1267 1.989,1268 1.187,1269 1.986,1270 1.636,1271 1.575,1272 1.872,1273 1.861,1274 1.174,1275 1.864,1276 1.604,1277 1.53,1278 1.855,1279 1.819,1280 1.038,1281 1.836,1282 1.43,1283 1.379,1284 1.652,1285 1.58,1286 0.728,1287 1.609,1288 1.193,1289 1.124,1290 1.568,1291 1.472,1292 0.623,1293 1.506,1294 1.06,1295 0.998,1296 1.282,1297 1.283,1298 0.442,1299 1.277,1300 0.842,1301 0.793,1302 1.102,1303 1.131,1304 0.164,1305 1.124,1306 0.728,1307 0.665,1308 1.037,1309 0.96,1310 0.132,1311 0.995,1312 3.761,1314 5.043,1315 2.398,1316 6.521,1317 4.727,1318 8.089,1319 6.823,1320 9.71,1322 3.622,1328 3.229,1329 3.315,1330 5.364,1332 0.253,1333 1.529,1337 5.284,1339 2.592,1340 24.214,1341 58.439,1342 142.764,1343 190.612,1344 195.367,1345 195.367,1346 195.367,1347 33.906,1348 6.384,1349 41.57,1350 41.57,1351 11,1352 12.044,1353 3.17,1354 2.807,1355 36.418,1356 64,1357 67,1358 0.294,1359 153.478,1360 273.48,1361 366.246,1362 4092,1364 14.535,1365 0.727,1366 0.599,1367 14.535,1368 11.979,1369 9.651,1370 0.46,1371 0.328,1372 6.783,1373 9.281,1374 6.559,1375 5.494,1376 9.651,1377 6.879,1378 8.181,1379 0.292,1380 0.176,1381 8.181,1382 4.919,1383 6.919,1384 0.192,1385 0.101,1386 6.919,1387 3.637,1388 5.136,1389 0.117,1390 0.053,1391 5.136,1392 2.346,1393 3.918,1394 0.075,1395 0.029,1396 3.918,1397 1.492,1398 0.454,1399 60.416,1400 0.272,1401 19.955,1402 0.819,1403 98,1404 285.449,1405 108.555,1406 274.678,1407 369.41,1408 256,1409 113,1410 266.782,1411 122.977,1412 270.179,1413 391.64,1414 252,1415 4.328}
{0 CHEMBL544637,1 1.496,2 7.176,3 1.897,4 3.598,5 66.489,6 6.695,7 0.333,8 3.635,9 3.765,10 3.107,11 3.1,12 4.672,13 3.073,14 4.196,15 4.406,16 3.448,17 3.489,18 5.216,19 3.435,20 4.371,21 4.573,22 3.459,23 3.609,24 5.362,25 3.522,26 4.482,27 4.721,28 3.277,29 3.526,30 5.477,31 3.417,32 4.269,33 4.525,34 3.121,35 3.346,36 5.204,37 3.221,38 4.098,39 4.338,40 2.921,41 3.184,42 5.034,43 3.065,44 4.022,45 4.287,46 2.804,47 3.037,48 4.967,49 2.9,50 3.818,51 4.075,52 2.516,53 2.843,54 4.804,55 2.71,56 0.015,57 0.496,58 8.184,59 3.145,60 5.713,61 4.498,62 0.345,63 0.766,64 15.412,65 4.988,66 24.997,67 7.444,68 0.101,69 0.864,70 17.969,71 6.607,72 20.28,73 9.399,74 0.338,75 0.837,76 21.211,77 6.433,78 46.725,79 9.307,80 0.203,81 0.704,82 16.725,83 5.432,84 24.886,85 8.111,86 0.176,87 0.588,88 14.135,89 4.528,90 22.901,91 6.625,92 0.218,93 0.53,94 13.205,95 4.1,96 22.654,97 6.139,98 0.17,99 0.442,100 10.788,101 2.961,102 25.64,103 4.645,104 23,105 25,106 0.281,107 0.59,108 0.753,109 0.823,110 0.823,111 0.823,112 2.908,113 0.968,114 -3.08,115 -3.08,116 -2.97,121 37.1,123 2,126 3,129 1,144 3,145 2,146 1,161 1,176 6,179 3,180 2,185 2,187 8,192 2,197 3,200 6,206 5,211 1,214 1,219 6,222 1,224 1,232 2,244 4,247 2,281 284,282 11.232,283 11.232,284 11.232,285 11.232,286 11.232,287 10.402,288 16.963,289 6.485,290 11.532,291 8.783,292 8.783,293 8.783,294 8.783,295 8.783,296 7.387,297 20.897,298 2.966,299 9.19,300 3.633,301 1.988,302 1.122,303 0.75,304 0.75,305 0.75,306 3.556,311 1,312 1,313 249,314 3.162,317 37.052,318 41.297,321 65.549,325 1.128,326 14.047,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 37,338 122,339 4.381,340 3.763,341 6.544,342 4.08,343 3.093,344 3.98,345 2.208,346 10.344,347 3.056,348 3.915,349 3.348,350 5.808,351 3.624,352 2.697,353 3.145,354 0.657,355 7.842,356 2.478,357 3.513,358 2.606,359 5.232,360 3.191,361 2.239,362 2.752,363 0.655,364 6.385,365 2.127,366 3.145,367 2.251,368 5.069,369 2.895,370 1.924,371 2.281,372 0.13,373 5.789,374 1.865,375 2.564,376 1.977,377 4.138,378 2.264,379 1.279,380 1.579,382 3.441,383 1.258,384 2.322,385 1.42,386 3.534,387 2.016,388 1.064,389 1.229,391 2.425,392 0.995,393 1.969,394 1.041,395 3.252,396 1.781,397 0.803,398 0.9,400 1.74,401 0.782,402 1.419,403 0.724,404 2.643,405 1.235,406 0.285,407 0.31,409 0.459,410 0.269,411 1.061,412 0.492,413 2.523,414 0.722,415 -0.241,416 -0.294,418 -0.565,419 -0.227,420 0.582,421 -0.293,422 2.149,423 0.142,424 -0.857,425 -1,427 -2,428 -0.845,429 0.456,430 -0.6,431 2,432 0.097,433 -0.886,434 -1.062,436 -2.045,437 -0.867,439 -0.769,440 1.672,441 -0.1,442 -1,443 -1.162,445 -2.649,446 -0.9,447 -0.195,448 -0.799,449 1.358,450 -0.381,451 -1.349,452 -1.537,454 -3.577,455 -1.294,456 -0.283,457 -1.108,458 1.054,459 -0.507,460 -1.475,461 -1.805,463 -4.175,464 -1.435,465 -0.5,466 -1.363,467 1,468 -0.815,469 -1.768,470 -1.909,471 -0.4,472 -4.98,473 -1.587,474 7.967,475 0.469,476 0.473,477 0.028,478 19,479 1.118,480 8,481 0.471,482 11,483 0.647,484 12.811,485 0.754,486 19.633,487 0.561,488 12.712,489 0.748,490 3.871,491 0.228,492 4.242,493 0.25,494 0.23,496 0.364,501 0.803,502 1.561,503 0.881,504 1.304,505 0.605,506 1.127,507 0.699,508 0.757,509 0.846,510 0.757,511 0.453,512 0.792,513 0.92,514 1.303,515 0.999,516 1.306,517 0.693,518 1.188,519 1.642,520 0.945,521 1.167,522 0.928,523 1.659,524 0.979,525 0.898,526 1.07,527 0.953,528 1.079,529 0.947,530 1.035,531 1.298,532 1.087,533 1.118,534 1.076,535 1.1,536 1.079,537 0.96,538 0.996,539 0.979,540 1.024,541 1.163,542 1.019,543 1.448,544 1.051,545 1.274,546 0.987,547 2.042,548 1.08,549 4,551 2.222,552 1.104,553 0.893,554 0.399,555 0.35,556 0.274,557 0.112,559 2125,560 5159,561 1.96,562 51.4,563 2,564 13,567 1,569 2,572 1.57,573 1.789,574 2.883,575 -0.256,577 1,578 1,579 1,582 52.361,583 1.496,584 3.142,585 4.007,586 4.379,587 4.379,588 4.379,589 2.257,590 3.455,591 4.059,592 2.984,593 405.831,594 6.865,595 3659.19,597 1,599 1,600 179.525,601 1.549,602 3.989,603 0.222,605 0.089,606 0.046,607 0.047,608 0.025,609 0.027,610 0.025,611 0.014,613 0.495,614 0.83,615 1,616 1.576,617 70.02,618 -0.022,619 -0.266,620 0.055,621 -0.128,622 -0.039,623 -0.039,624 0.266,625 0.405,626 0.135,627 0.26,628 0.199,629 0.199,630 -0.026,631 -0.237,632 -0.052,633 -0.227,634 0.06,635 -0.153,636 -0.255,637 -0.019,638 -0.145,639 0.026,640 -0.198,641 -0.037,642 0.046,643 -0.113,644 0.013,645 -0.103,646 0.01,647 -0.059,648 -0.16,649 -0.132,650 -0.132,651 -0.095,652 -0.145,653 -0.11,654 0.09,655 -0.071,656 0.004,657 -0.086,658 -0.008,659 -0.07,660 -0.268,661 -0.074,662 -0.269,663 -0.083,664 -0.215,665 -0.164,666 2.01,667 4.452,668 0.529,669 10.983,670 0.998,671 1.135,672 1.855,673 3.44,674 0.629,675 2.944,676 3.258,677 3.497,678 3.689,679 3.85,680 3.871,681 3.951,682 4.025,683 3.714,684 3.401,685 4.471,686 0.591,687 234.33,688 2.944,689 4.466,690 5.303,691 6.172,692 7.034,693 7.908,694 8.78,695 9.656,696 10.533,697 11.412,698 5.7,700 1,705 1,715 3,720 3,722 6,737 1,741 35,743 7,744 1,745 18,747 36,748 13,749 6,750 3,751 3,756 2,757 3,767 3,770 3,772 7,773 6,777 1,782 1,786 1,790 1,793 18,794 4,795 1,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,853 1,859 1,864 3,868 17,876 2,877 1,878 1,880 1,881 1,893 5.7,896 1,898 1,901 9.5,902 7.117,903 3.833,904 2.04,907 1.316,908 1.217,909 0.928,910 3.574,911 7.375,912 3.135,913 3.651,914 4.131,915 4.599,916 5.078,917 5.229,918 5.489,919 5.675,920 5.31,921 5.009,922 0.8,923 24,924 6.28,926 2.557,927 0.026,929 7.735,931 12.092,933 9.631,936 2.235,937 38,938 0.002,941 200.109,942 77.064,943 21.135,945 36.145,948 77.064,949 236.254,950 21.135,951 25.189,952 8.193,953 46.439,954 25.145,955 22.614,956 6.763,957 200.109,959 200.109,960 98.199,961 36.145,964 176.567,965 59.687,968 26.204,969 71.995,972 200.109,973 57.28,974 77.064,977 200.109,978 23.446,979 56.742,980 18.011,981 36.145,982 200.109,983 57.28,984 77.064,986 0.582,987 0.344,988 0.165,989 0.088,990 12,991 6,992 0.083,993 3,994 1,995 1.222,996 2.874,997 114.244,998 0.222,999 9,1000 67.487,1005 12.242,1006 4.963,1007 2.548,1009 57.28,1010 5.869,1015 3.204,1017 18.011,1018 334.453,1019 22,1024 11.452,1028 -0.344,1031 34.927,1032 39.737,1034 0.292,1035 0.612,1036 0.781,1037 0.854,1038 0.854,1039 0.854,1040 4.376,1041 0.285,1042 5.303,1043 1.74,1044 3.932,1045 4.331,1046 2.401,1047 6.107,1048 3.852,1049 5.558,1050 -0.241,1051 6.87,1052 0.459,1053 3.611,1054 4.182,1055 1.847,1056 7.024,1057 3.489,1058 6.855,1059 -0.857,1060 8.534,1061 -0.565,1062 5.525,1063 6.407,1064 3.538,1065 10.075,1066 5.377,1067 8.186,1068 -0.886,1069 10.252,1070 -2,1071 5.994,1072 7.031,1073 3.656,1074 11.801,1075 5.816,1076 9.549,1077 -1,1078 12.004,1079 -2.045,1080 7.41,1081 8.797,1082 4.957,1083 14.38,1084 7.215,1085 10.932,1086 -1.349,1087 13.779,1088 -2.649,1089 8.227,1090 9.77,1091 5.37,1092 16.452,1093 8.015,1094 12.331,1095 -1.475,1096 15.571,1097 -3.577,1098 9.452,1099 11.347,1100 6.458,1101 18.87,1102 9.23,1103 3.093,1104 -1.768,1105 17.376,1106 -4.175,1107 10.428,1108 12.5,1109 7.028,1110 21.093,1111 10.197,1112 2.697,1113 10.344,1114 19.192,1115 -4.98,1116 11.58,1117 13.988,1118 7.994,1119 23.454,1120 11.342,1121 2.239,1122 7.842,1123 21.017,1124 3.98,1125 12.63,1126 15.239,1127 8.654,1128 25.741,1129 12.387,1130 1.924,1131 6.385,1132 22.85,1133 3.145,1134 13.756,1135 16.679,1136 9.549,1137 28.083,1138 13.508,1139 1.279,1140 5.789,1141 24.689,1142 2.752,1143 14.841,1144 17.986,1145 10.263,1146 30.398,1147 14.589,1148 1.064,1149 3.441,1150 26.533,1151 2.281,1152 15.959,1153 19.399,1154 11.116,1155 32.734,1156 15.702,1157 0.803,1158 2.425,1159 28.382,1160 1.579,1161 17.061,1162 20.738,1163 11.862,1164 35.061,1165 16.801,1166 2240,1167 3570,1168 11.444,1169 22.012,1170 26.899,1171 27.767,1172 28.267,1173 26.796,1174 26.766,1175 32.353,1176 7.3,1177 76.85,1178 25.66,1179 5.244,1180 5.763,1181 6.089,1182 5.14,1183 5.093,1184 6.98,1185 3.912,1186 16.97,1187 5.056,1188 9.733,1189 1.494,1190 1.543,1191 1.57,1192 1.489,1193 1.487,1194 1.797,1195 0.406,1196 4.269,1197 1.426,1198 4.029,1199 4.058,1200 3.969,1201 3.96,1202 7.433,1203 3.958,1204 3.649,1205 3.707,1206 3.568,1207 3.393,1208 4.814,1209 3.419,1210 3.483,1211 3.559,1212 3.347,1213 3.291,1214 4.379,1215 3.299,1216 3.256,1217 3.349,1218 3.056,1219 3.027,1220 4.224,1221 3.02,1222 2.987,1223 3.02,1224 2.829,1225 2.781,1226 4.056,1227 2.769,1228 2.874,1229 3.009,1230 2.705,1231 2.618,1232 3.723,1233 2.652,1234 2.869,1235 2.922,1236 2.499,1237 2.614,1238 3.512,1239 2.57,1240 2.518,1241 2.618,1242 2.363,1243 2.356,1244 3.467,1245 2.349,1246 0.243,1247 0.209,1248 0.364,1249 0.227,1250 0.172,1251 4.381,1252 0.221,1253 3.763,1254 0.123,1255 6.544,1256 0.575,1257 4.08,1258 0.17,1259 3.093,1260 3.98,1261 2.208,1262 10.344,1263 3.056,1264 1.893,1265 1.875,1266 1.986,1267 1.986,1268 1.181,1269 1.984,1270 1.606,1271 1.538,1272 1.853,1273 1.82,1274 1.174,1275 1.83,1276 1.516,1277 1.443,1278 1.783,1279 1.8,1280 0.835,1281 1.802,1282 1.251,1283 1.16,1284 1.601,1285 1.512,1286 0.665,1287 1.548,1288 0.986,1289 0.932,1290 1.417,1291 1.25,1292 0.469,1293 1.308,1294 0.934,1295 0.804,1296 1.242,1297 1.239,1298 0.433,1299 1.226,1300 0.834,1301 0.786,1302 1.091,1303 1.078,1304 0.161,1305 1.09,1306 0.654,1307 0.618,1308 0.851,1309 0.917,1311 0.932,1312 3.611,1314 4.92,1315 2.398,1316 6.418,1317 4.727,1318 8.001,1319 6.823,1320 9.631,1322 5.302,1328 2.194,1329 3.273,1330 5.253,1332 0.378,1333 1.419,1340 20.687,1341 52.361,1342 109.957,1343 140.241,1344 153.26,1345 153.26,1346 153.26,1347 24.355,1348 6.059,1349 41.57,1350 41.57,1351 11,1352 11.949,1353 3,1354 2.322,1355 28.431,1356 46,1357 38,1358 0.324,1359 130.556,1360 226.86,1361 310.316,1362 2595,1364 12.414,1365 0.73,1366 0.617,1367 12.414,1368 10.487,1369 8.113,1370 0.451,1371 0.323,1372 5.702,1373 7.73,1374 5.452,1375 4.604,1376 8.113,1377 5.808,1378 7.306,1379 0.292,1380 0.18,1381 7.306,1382 4.503,1383 6.038,1384 0.189,1385 0.097,1386 6.038,1387 3.114,1388 4.456,1389 0.114,1390 0.055,1391 4.456,1392 2.136,1393 3.482,1394 0.076,1395 0.03,1396 3.482,1397 1.359,1398 0.491,1399 51.376,1400 0.296,1401 16.977,1402 0.932,1403 86,1404 253.449,1405 95.889,1406 240.253,1407 323.75,1408 224,1409 100,1410 235.149,1411 109.477,1412 239.144,1413 346.64,1414 221,1415 5.971}
{0 CHEMBL54470,1 1.455,2 11.154,3 4.232,4 17.908,5 102.835,6 6.892,7 0.414,8 4.024,9 4.153,10 3.53,11 3.561,12 5.042,13 3.529,14 4.593,15 4.771,16 3.948,17 4.004,18 5.61,19 3.946,20 4.887,21 5.098,22 3.97,23 4.168,24 5.807,25 4.07,26 4.981,27 5.239,28 3.805,29 4.108,30 5.889,31 3.969,32 4.856,33 5.129,34 3.656,35 3.866,36 5.805,37 3.741,38 4.532,39 4.77,40 3.47,41 3.59,42 5.514,43 3.513,44 4.288,45 4.49,46 3.479,47 3.519,48 5.387,49 3.467,50 4.406,51 4.619,52 3.433,53 3.535,54 5.588,55 3.471,56 0.046,57 0.744,58 11.579,59 4.775,60 9.049,61 6.569,62 0.339,63 1.235,64 21.627,65 8.401,66 34.363,67 11.839,68 0.219,69 1.564,70 29.65,71 10.97,72 31.568,73 15.663,74 0.272,75 1.596,76 33.676,77 11.74,78 45.895,79 17.206,80 0.352,81 1.28,82 30.734,83 10.297,84 53.345,85 14.756,86 0.379,87 0.931,88 22.408,89 6.966,90 39.099,91 9.604,92 0.238,93 0.832,94 16.65,95 5.481,96 27.3,97 7.7,98 0.362,99 0.869,100 19.433,101 5.95,102 51.657,103 8.147,104 18,105 43,106 0.245,107 0.588,108 0.755,109 0.834,110 0.843,111 0.843,112 3.304,113 0.951,114 -4.53,115 -4.46,116 -4.2,121 41.2,122 3,123 1,124 1,125 1,127 1,130 1,144 7,145 2,146 3,161 1,176 12,179 1,180 2,183 2,184 1,185 7,187 15,192 2,197 8,200 13,206 7,211 5,214 7,219 8,222 1,224 4,227 2,232 3,235 1,237 3,239 4,244 4,247 1,248 1,249 2,251 8,256 4,259 1,260 1,264 8,274 2,277 10,281 956,282 17.289,283 17.289,284 17.289,285 17.289,286 17.289,287 15.75,288 28.748,289 9.869,290 17.571,291 14.295,292 14.295,293 14.295,294 14.295,295 14.295,296 11.869,297 39.047,298 4.658,299 14.754,300 4.217,301 2.185,302 1.195,303 0.726,304 0.672,305 0.672,306 3.997,311 1,312 1,313 641,314 3.742,317 108.514,318 145.051,320 87.157,321 91.652,324 128.521,325 1.781,326 20.237,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 55.5,338 290,339 4.755,340 3.87,341 7.887,342 4.636,343 3.649,344 4.153,345 2.186,346 14.705,347 3.601,348 4.126,349 3.674,350 5.985,351 3.791,352 2.803,353 3.691,354 0.647,355 8.283,356 2.777,357 3.955,358 2.992,359 5.931,360 3.615,361 2.661,362 3.283,363 0.366,364 8.214,365 2.53,366 3.727,367 2.725,368 5.523,369 3.425,370 2.451,371 2.988,372 0.247,373 7.385,374 2.376,375 3.482,376 2.446,377 5.264,378 3.141,379 2.185,380 2.726,382 6.661,383 2.074,384 3.23,385 2.325,386 5.244,387 2.852,388 1.898,389 2.41,391 5.865,392 1.805,393 2.963,394 2.204,395 4.616,396 2.734,397 1.766,398 2.04,400 4.875,401 1.693,402 2.5,403 1.321,404 4.116,405 2.225,406 1.231,407 1.5,409 2.972,410 1.221,411 2.452,412 1.314,413 3.769,414 2.108,415 1.136,416 1.442,418 2.91,419 1.103,420 2.42,421 1.119,422 3.646,423 2.037,424 1.06,425 1.4,427 2.503,428 1.033,429 2.14,430 1,431 3.414,432 2,433 1,434 1.135,436 2.275,437 1,438 1.49,439 0.86,440 3.153,441 1.24,442 0.308,443 0.345,445 0.816,446 0.285,447 1.252,448 0.491,449 2.97,450 0.938,451 -0.017,452 -0.019,454 -0.043,455 -0.016,456 0.953,457 0.245,458 2.813,459 0.653,460 -0.315,461 -0.378,463 -0.805,464 -0.301,465 0.613,466 -0.296,467 2.415,468 0.272,469 -0.701,470 -0.771,472 -1.879,473 -0.674,474 12.367,475 0.476,476 0.805,477 0.031,478 31.75,479 1.221,480 15,481 0.577,482 16.75,483 0.644,484 23.133,485 0.89,486 28.433,487 0.558,488 22.234,489 0.855,490 5.757,491 0.221,492 6.696,493 0.258,494 0.148,495 0.04,496 0.323,501 0.858,502 1.251,503 0.866,504 1.074,505 0.68,506 0.977,507 0.532,508 1.04,509 0.812,510 0.972,511 0.405,512 0.932,513 0.991,514 1.231,515 1.061,516 1.156,517 0.733,518 1.122,519 0.933,520 1.086,521 1.053,522 1.119,523 0.753,524 1.094,525 1.225,526 0.937,527 0.881,528 0.943,529 1.371,530 0.886,531 2.014,532 0.856,533 1.054,534 0.798,535 1.752,536 0.819,537 1.42,538 1.036,539 1.017,540 0.994,541 1.537,542 0.956,543 2.077,544 0.846,545 1.223,546 0.883,547 3.058,548 0.94,549 7,550 0.092,551 3.778,552 2.549,553 1.218,554 0.851,555 0.501,556 0.315,557 0.268,558 0.217,559 8726,560 18198,561 2.092,562 49,563 10,564 9,565 1,567 3,569 2,572 1.685,573 1.938,574 3.417,575 0.898,577 1,582 74.204,583 1.455,584 3.488,585 4.478,586 4.947,587 5.001,588 5.001,589 2.888,590 4.316,591 4.674,592 3.629,593 1179.34,594 8.066,595 14969.9,597 1,599 1,600 289.294,601 1.619,602 4.616,603 0.241,604 0.005,605 0.088,606 0.061,607 0.037,608 0.03,609 0.021,610 0.013,611 0.012,612 0.011,613 0.518,614 0.17,615 1,616 0.777,617 128.52,618 -0.05,619 -0.03,620 0.051,621 0.019,622 -0.077,623 0.047,624 0.345,625 0.091,626 0.132,627 0.073,628 0.256,629 0.074,630 -0.084,631 -0.173,632 -0.105,633 -0.143,634 -0.02,635 -0.13,636 -0.044,637 -0.1,638 -0.079,639 -0.152,640 0.042,641 -0.118,642 0.047,643 -0.052,644 0.143,645 0.007,646 0.021,647 0.076,648 -0.161,649 0.062,650 0.023,651 0.137,652 -0.163,653 0.103,654 0.025,655 0.035,656 0.005,657 -0.032,658 -0.004,659 -0.018,660 -0.183,661 0.164,662 -0.15,663 0.045,664 -0.247,665 -0.035,666 2.139,667 5.247,668 0.692,669 22.598,670 0.994,671 1.127,672 3.302,673 10.901,674 0.653,675 3.401,676 3.784,677 4.078,678 4.357,679 4.543,680 4.635,681 4.787,682 4.828,683 4.812,684 4.905,685 6.702,686 0.614,687 351.49,688 3.401,689 4.977,690 5.849,691 6.758,692 7.652,693 8.567,694 9.472,695 10.392,696 11.305,697 12.229,698 5.9,700 1,703 1,705 1,715 7,720 5,722 12,734 1,737 1,741 51,743 13,744 2,745 29,747 54,748 21,749 12,750 5,751 7,756 4,757 7,763 3,764 1,766 1,767 1,770 1,772 13,773 8,774 1,777 1,782 1,786 1,790 1,793 25,794 5,795 3,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,853 1,859 2,864 3,868 26,876 2,877 3,878 1,880 2,882 1,893 3.9,896 1,898 1,901 13.417,902 9.833,903 5.514,904 3.188,907 2.201,908 1.289,909 0.971,910 4.412,911 9.816,912 3.611,913 4.19,914 4.705,915 5.24,916 5.731,917 5.896,918 6.213,919 6.411,920 6.447,921 6.716,922 1,923 42,924 9.647,926 4.172,927 0.026,929 7.612,931 18.788,933 16.077,936 2.112,937 54.917,939 1,940 1,941 258.964,942 121.34,943 54.032,945 36.145,948 121.34,949 295.109,950 54.032,951 26.476,952 22.651,953 84.344,954 43.156,955 28.128,956 18.534,957 247.193,959 258.964,960 175.372,961 36.145,964 235.422,965 59.687,968 67.137,969 90.224,970 18.011,972 258.964,973 90.177,974 121.34,977 258.964,978 28.531,979 92.809,980 54.032,981 36.145,982 258.964,983 90.177,984 121.34,986 0.599,987 0.351,988 0.183,989 0.094,990 23,991 10,992 0.074,993 4,994 2,995 1.222,996 3.829,997 222.143,998 0.222,999 18,1000 116.211,1005 17.379,1006 6.6,1007 3.228,1009 90.177,1010 13.651,1015 4.855,1017 54.032,1018 470.481,1019 36,1024 12.247,1028 -0.473,1031 50.68,1032 57.481,1034 0.256,1035 0.615,1036 0.789,1037 0.872,1038 0.882,1039 0.882,1040 4.898,1041 1.231,1042 5.889,1043 4.875,1044 4.466,1045 4.875,1046 2.351,1047 6.79,1048 4.408,1049 6.115,1050 1.136,1051 7.514,1052 2.972,1053 4.29,1054 4.758,1055 1.784,1056 8.12,1057 4.229,1058 7.446,1059 1.06,1060 9.257,1061 2.91,1062 6.188,1063 7,1064 3.501,1065 11.235,1066 6.088,1067 8.814,1068 1,1069 11.08,1070 2.503,1071 6.847,1072 7.635,1073 3.59,1074 13.493,1075 6.753,1076 10.217,1077 0.308,1078 12.959,1079 2.275,1080 8.292,1081 9.422,1082 4.906,1083 16.27,1084 8.173,1085 11.645,1086 -0.017,1087 14.882,1088 0.816,1089 9.317,1090 10.406,1091 5.289,1092 18.838,1093 9.202,1094 13.094,1095 -0.315,1096 16.839,1097 -0.043,1098 10.628,1099 12.002,1100 6.387,1101 21.545,1102 10.496,1103 3.649,1104 -0.701,1105 18.823,1106 -0.805,1107 11.808,1108 13.17,1109 6.93,1110 24.201,1111 11.673,1112 2.803,1113 14.705,1114 20.827,1115 -1.879,1116 13.088,1117 14.674,1118 7.902,1119 26.894,1120 12.94,1121 2.661,1122 8.283,1123 22.847,1124 4.153,1125 14.333,1126 15.945,1127 8.539,1128 29.573,1129 14.177,1130 2.451,1131 8.214,1132 24.878,1133 3.691,1134 15.611,1135 17.402,1136 9.436,1137 32.262,1138 15.444,1139 2.185,1140 7.385,1141 26.918,1142 3.283,1143 16.882,1144 18.733,1145 10.13,1146 34.948,1147 16.704,1148 1.898,1149 6.661,1150 28.965,1151 2.988,1152 18.166,1153 20.167,1154 10.981,1155 37.636,1156 17.976,1157 1.766,1158 5.865,1159 31.016,1160 2.726,1161 19.449,1162 21.534,1163 11.71,1164 40.324,1165 19.247,1166 8239,1167 12051,1168 19.186,1169 33.302,1170 44.707,1171 45.614,1172 45.935,1173 44.273,1174 44.298,1175 54.224,1176 6.894,1177 134.928,1178 42.995,1179 5.717,1180 5.87,1181 7.328,1182 5.727,1183 5.649,1184 7.153,1185 3.889,1186 22.9,1187 5.601,1188 13.239,1189 1.542,1190 1.573,1191 1.584,1192 1.527,1193 1.528,1194 1.87,1195 0.238,1196 4.653,1197 1.483,1198 4.077,1199 4.114,1200 4.021,1201 3.984,1202 7.435,1203 3.989,1204 3.947,1205 3.981,1206 3.881,1207 3.881,1208 4.858,1209 3.876,1210 3.683,1211 3.724,1212 3.597,1213 3.544,1214 4.743,1215 3.546,1216 3.538,1217 3.603,1218 3.413,1219 3.388,1220 4.469,1221 3.378,1222 3.319,1223 3.346,1224 3.22,1225 3.03,1226 4.18,1227 3.084,1228 3.131,1229 3.235,1230 2.917,1231 2.927,1232 4.088,1233 2.91,1234 3.048,1235 3.136,1236 2.907,1237 2.814,1238 3.811,1239 2.829,1240 2.874,1241 3.009,1242 2.687,1243 2.735,1244 3.745,1245 2.715,1246 0.164,1247 0.133,1248 0.272,1249 0.16,1250 0.126,1251 4.755,1252 0.143,1253 3.87,1254 0.075,1255 7.887,1256 0.507,1257 4.636,1258 0.124,1259 3.649,1260 4.153,1261 2.186,1262 14.705,1263 3.601,1264 1.939,1265 1.911,1266 2.069,1267 2.036,1268 1.31,1269 2.046,1270 1.899,1271 1.879,1272 2.002,1273 1.981,1274 1.252,1275 1.988,1276 1.606,1277 1.555,1278 1.812,1279 1.776,1280 0.996,1281 1.789,1282 1.54,1283 1.475,1284 1.794,1285 1.74,1286 0.927,1287 1.755,1288 1.434,1289 1.346,1290 1.689,1291 1.698,1292 0.909,1293 1.709,1294 1.154,1295 1.133,1296 1.417,1297 1.481,1298 0.47,1299 1.428,1300 0.968,1301 0.874,1302 1.356,1303 1.259,1304 0.469,1305 1.308,1306 0.934,1307 0.821,1308 1.265,1309 1.239,1310 0.232,1311 1.293,1312 4.078,1314 5.442,1315 3.045,1316 6.995,1317 5.533,1318 8.637,1319 7.735,1320 10.334,1322 6.533,1328 2.057,1329 9.775,1330 5.517,1332 0.715,1334 0.04,1340 31.289,1341 74.204,1342 177.878,1343 228.358,1344 252.274,1345 255.029,1346 255.029,1347 39.915,1348 7.615,1349 62.39,1350 62.39,1351 22,1352 12.737,1353 3.807,1354 3,1355 38.367,1356 106,1357 102,1358 0.178,1359 190.52,1360 332.72,1361 456.628,1362 21741,1364 18.311,1365 0.704,1366 0.593,1367 18.311,1368 15.427,1369 12.453,1370 0.429,1371 0.317,1372 9.09,1373 12.071,1374 8.772,1375 7.317,1376 12.453,1377 9.188,1378 11.978,1379 0.279,1380 0.179,1381 11.978,1382 7.698,1383 10.043,1384 0.173,1385 0.096,1386 10.043,1387 5.57,1388 8.453,1389 0.11,1390 0.051,1391 8.453,1392 3.889,1393 6.513,1394 0.07,1395 0.027,1396 6.513,1397 2.473,1398 0.284,1399 77.385,1400 0.228,1401 25.33,1402 0.472,1403 144,1404 354.47,1405 156.637,1406 345.372,1407 483.05,1408 324,1409 173,1410 369.543,1411 184.644,1412 374.647,1413 552.32,1414 353,1415 6.959}
{0 CHEMBL544823,1 1.41,2 21.375,3 7.813,4 61.049,5 157.732,6 6.809,7 0.419,8 4.445,9 4.562,10 3.929,11 3.967,12 5.475,13 3.931,14 5.008,15 5.191,16 4.24,17 4.341,18 6.014,19 4.275,20 5.279,21 5.501,22 4.301,23 4.475,24 6.208,25 4.381,26 5.334,27 5.578,28 4.239,29 4.446,30 6.299,31 4.335,32 5.265,33 5.509,34 4.113,35 4.422,36 6.148,37 4.289,38 5.269,39 5.533,40 4.029,41 4.396,42 6.083,43 4.235,44 5.249,45 5.521,46 3.9,47 4.322,48 6.011,49 4.15,50 5.16,51 5.431,52 3.836,53 4.241,54 5.917,55 4.073,56 0.035,57 1.068,58 18.019,59 7.994,60 9.825,61 10.564,62 0.427,63 1.724,64 33.73,65 12.989,66 42,67 17.757,68 0.375,69 2.084,70 45.313,71 17.125,72 52.29,73 23.391,74 0.731,75 2.133,76 49.146,77 17.306,78 86.895,79 24.091,80 0.501,81 2.055,82 45.089,83 16.645,84 63.363,85 23.341,86 0.451,87 2.053,88 45.173,89 17.079,90 59.939,91 24.406,92 0.552,93 1.961,94 45.025,95 16.322,96 58.442,97 23.213,98 0.39,99 1.801,100 40.902,101 14.991,102 48.242,103 21.413,104 20,105 56,106 0.215,107 0.486,108 0.67,109 0.804,110 0.87,111 0.897,112 3.716,113 0.997,114 -5.09,115 -4.99,116 -4.68,121 41.3,123 8,126 2,127 3,144 11,145 3,146 4,159 1,161 1,176 17,179 1,180 13,183 2,187 18,192 12,200 12,205 2,206 13,211 2,214 13,218 1,219 6,224 2,227 15,231 1,232 6,237 1,239 14,243 1,244 6,247 1,251 11,256 6,264 11,269 6,274 1,277 13,281 3680,282 27.405,283 27.405,284 27.405,285 27.405,286 27.405,287 25.022,288 28.551,289 16.937,290 27.926,291 21.243,292 21.243,293 21.243,294 21.243,295 21.243,296 17.499,297 35.777,298 8.12,299 22.02,300 4.912,301 3.134,302 1.932,303 1.05,304 0.619,305 0.444,306 4.415,312 1,313 1838,314 4.899,318 529.155,322 401.691,325 3.188,326 34.262,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 86,338 855,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 2.186,346 11.061,347 3.18,348 4.105,349 3.66,350 6.011,351 3.723,352 2.761,353 3.688,354 0.916,355 8.529,356 2.661,357 4.048,358 2.995,359 5.681,360 3.613,361 2.642,362 3.676,363 0.86,364 7.996,365 2.563,366 3.672,367 2.984,368 5.407,369 3.38,370 2.451,371 2.964,372 0.86,373 6.913,374 2.261,375 3.617,376 2.82,377 5.29,378 3.232,379 2.271,380 2.886,381 0.366,382 6.815,383 2.172,384 3.378,385 2.632,386 5.124,387 3.124,388 2.168,389 2.515,390 0.172,391 6.04,392 2.057,393 3.309,394 2.495,395 4.862,396 2.961,397 2.017,398 2.504,400 5.594,401 1.912,402 3.09,403 2.172,404 4.585,405 2.896,406 1.906,407 2.175,409 4.814,410 1.853,411 2.914,412 1.921,413 4.125,414 2.77,415 1.794,416 2.082,418 3.83,419 1.743,420 2.895,421 1.746,422 3.922,423 2.616,424 1.635,425 1.909,427 3.386,428 1.599,429 2.716,430 1.636,431 3.73,432 2.431,433 1.441,434 1.811,436 3.366,437 1.423,438 2.684,439 1.435,440 3.694,441 2.283,442 1.306,443 1.738,445 3.075,446 1.271,447 2.64,448 1.368,449 3.503,450 2.242,451 1.255,452 1.66,454 2.713,455 1.235,456 2.437,457 1.298,458 3.49,459 2.176,460 1.184,461 1.362,463 2.589,464 1.172,465 2.31,466 1.273,467 3.392,468 1.917,469 0.926,470 1.247,472 2.089,473 0.91,474 18.967,475 0.474,476 0.729,477 0.018,478 47.25,479 1.181,480 22.5,481 0.563,482 24.75,483 0.619,484 39.109,485 0.978,486 44.633,487 0.558,488 36.473,489 0.912,490 9.029,491 0.226,492 10.501,493 0.263,494 0.088,496 0.258,501 0.769,502 1.332,503 0.867,504 1.207,505 0.576,506 1.072,507 0.846,508 1.041,509 0.956,510 1.054,511 0.531,512 1.016,513 1.057,514 1.052,515 0.924,516 1.041,517 0.762,518 0.977,519 1.084,520 0.932,521 0.937,522 0.913,523 1.024,524 0.905,525 0.967,526 0.993,527 1.023,528 0.999,529 1.028,530 1.016,531 0.647,532 1.047,533 0.946,534 1.06,535 0.568,536 1.049,537 0.889,538 0.919,539 1.025,540 0.975,541 0.713,542 1.015,543 0.845,544 1.017,545 0.989,546 1.02,547 0.697,548 1.026,549 6.5,550 0.132,551 2.889,552 2.375,553 1.853,554 0.868,555 0.604,556 0.361,557 0.23,558 0.162,559 36813,560 91714,561 2.065,562 50,563 12,564 23,567 1,569 4,572 1.786,573 1.967,574 4.315,575 -0.442,582 112.802,583 1.41,584 3.188,585 4.39,586 5.271,587 5.703,588 5.878,589 3.734,590 4.972,591 5.3,592 4.557,593 3554.43,594 9.268,595 75258.2,600 505.754,601 1.236,602 5.269,603 0.151,604 0.004,605 0.052,606 0.041,607 0.035,608 0.018,609 0.014,610 0.01,611 0.007,612 0.005,613 0.338,614 0.17,615 0.75,616 0.864,617 239.645,618 -0.002,619 -0.127,620 0.057,621 -0.068,623 -0.007,624 0.112,625 0.077,626 0.015,627 -0.015,628 0.142,629 -0.01,630 -0.032,631 -0.055,632 0.062,633 -0.027,634 0.06,635 0.023,636 0.048,637 0.034,638 0.071,639 0.061,640 0.092,641 0.069,642 -0.051,644 -0.045,645 -0.006,646 -0.049,647 -0.023,648 0.068,649 -0.077,650 0.008,651 -0.066,652 0.061,653 -0.042,654 -0.023,655 0.034,656 -0.047,657 -0.006,658 -0.036,659 -0.028,660 -0.036,661 -0.066,662 -0.02,663 -0.043,664 -0.012,665 -0.032,666 2.119,667 5.669,668 0.5,669 61.1,670 0.995,671 1.124,672 3.865,673 14.938,674 0.647,675 3.784,676 4.043,677 4.263,678 4.5,679 4.718,680 4.787,681 4.875,682 4.984,683 5.011,684 4.913,685 12.514,686 0.608,687 544.75,688 3.784,689 5.293,690 6.111,691 6.959,692 7.799,693 8.66,694 9.512,695 10.383,696 11.244,697 12.122,698 2.5,701 1,705 1,715 11,720 7,722 18,727 1,737 1,739 2,741 80,743 20,744 3,745 43,747 83,748 33,749 18,750 7,751 11,752 1,756 4,757 7,770 8,772 20,773 13,777 2,782 2,786 2,793 40,794 7,795 1,796 7,802 2,808 0.5,809 5,829 4,833 2,855 1,859 2,864 2,868 40,876 11,877 1,878 3,881 1,893 6.3,896 2,898 3,901 20.333,902 14.7,903 9.111,904 5.213,907 3.361,908 1.405,909 0.954,910 11.593,911 11.654,912 4.007,913 4.505,914 5.006,915 5.539,916 6.056,917 6.265,918 6.589,919 6.938,920 7.198,921 7.355,922 0.929,923 58,924 14.851,926 6.123,927 0.026,929 7.663,931 28.844,933 23.194,936 2.163,937 86.5,941 459.073,942 192.538,943 21.135,945 83.29,948 192.538,949 542.362,950 21.135,951 16.793,952 47.091,953 104.239,954 55.423,955 66.654,956 6.763,957 459.073,959 459.073,960 213.673,961 83.29,964 411.989,965 130.374,968 50.215,969 163.458,972 459.073,973 104.425,974 192.538,977 459.073,978 71.506,979 124.156,980 18.011,981 83.29,982 459.073,983 104.425,984 192.538,986 0.56,987 0.316,988 0.169,989 0.092,990 22,991 10,992 0.193,993 16,994 2,995 1.2,996 5.384,997 346.792,998 0.2,999 20,1000 208.877,1005 29.792,1006 15.565,1007 9.183,1009 104.425,1010 20.471,1015 4.778,1017 18.011,1018 756.036,1019 54,1024 24.067,1028 -0.46,1031 79.629,1032 89.932,1034 0.223,1035 0.504,1036 0.694,1037 0.834,1038 0.902,1039 0.93,1040 5.218,1041 1.906,1042 6.052,1043 5.594,1044 4.727,1045 5.193,1046 2.639,1047 6.792,1048 4.66,1049 6.369,1050 1.794,1051 7.56,1052 4.814,1053 4.111,1054 4.832,1055 1.847,1056 7.551,1057 4.007,1058 7.638,1059 1.635,1060 9.17,1061 3.83,1062 6.24,1063 7.265,1064 3.582,1065 10.676,1066 6.111,1067 8.942,1068 1.441,1069 10.847,1070 3.386,1071 6.479,1072 7.753,1073 3.603,1074 12.333,1075 6.327,1076 10.283,1077 1.306,1078 12.568,1079 3.366,1080 8.03,1081 9.652,1082 4.922,1083 14.976,1084 7.86,1085 11.65,1086 1.255,1087 14.323,1088 3.075,1089 8.71,1090 10.56,1091 5.291,1092 17.035,1093 8.533,1094 13.039,1095 1.184,1096 16.103,1097 2.713,1098 10.011,1099 12.219,1100 6.39,1101 19.516,1102 9.82,1103 3.215,1104 0.926,1105 17.903,1106 2.589,1107 10.925,1108 13.35,1109 6.93,1110 21.76,1111 10.733,1112 2.761,1113 11.061,1114 19.72,1115 2.089,1116 12.121,1117 14.89,1118 7.902,1119 24.185,1120 11.921,1121 2.642,1122 8.529,1123 21.551,1124 4.198,1125 13.154,1126 16.144,1127 8.539,1128 26.514,1129 12.954,1130 2.451,1131 7.996,1132 23.393,1133 3.688,1134 14.312,1135 17.622,1136 9.436,1137 28.922,1138 14.107,1139 2.271,1140 6.913,1141 25.246,1142 3.676,1143 15.406,1144 18.946,1145 10.13,1146 31.289,1147 15.199,1148 2.168,1149 6.815,1150 27.107,1151 2.964,1152 16.554,1153 20.392,1154 10.981,1155 33.692,1156 16.342,1157 2.017,1158 6.04,1159 28.976,1160 2.886,1161 17.679,1162 21.757,1163 11.71,1164 36.077,1165 17.463,1166 34841,1167 55297,1168 29.008,1169 51.75,1170 61.675,1171 64.259,1172 63.471,1173 61.281,1174 61.23,1175 76.38,1176 10.723,1177 164.267,1178 59.193,1179 5.527,1180 5.692,1181 6.71,1182 5.3,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.18,1188 18.792,1189 1.434,1190 1.494,1191 1.476,1192 1.425,1193 1.424,1194 1.776,1195 0.249,1196 3.82,1197 1.377,1198 4.051,1199 4.06,1200 4.015,1201 3.967,1202 7.435,1203 3.976,1204 3.943,1205 3.973,1206 3.879,1207 3.858,1208 7.427,1209 3.858,1210 3.81,1211 3.863,1212 3.718,1213 3.715,1214 4.947,1215 3.711,1216 3.769,1217 3.8,1218 3.641,1219 3.679,1220 4.814,1221 3.661,1222 3.669,1223 3.734,1224 3.524,1225 3.522,1226 4.708,1227 3.509,1228 3.544,1229 3.607,1230 3.443,1231 3.333,1232 4.378,1233 3.331,1234 3.494,1235 3.568,1236 3.344,1237 3.212,1238 4.329,1239 3.253,1240 3.326,1241 3.397,1242 3.195,1243 3.136,1244 4.248,1245 3.137,1246 0.106,1247 0.086,1248 0.158,1249 0.098,1250 0.075,1251 4.553,1252 0.098,1253 3.692,1254 0.051,1255 6.774,1256 0.257,1257 4.203,1258 0.074,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.07,1267 2.084,1268 1.428,1269 2.074,1270 1.912,1271 1.885,1272 2.055,1273 2.028,1274 1.297,1275 2.037,1276 1.815,1277 1.764,1278 2.023,1279 1.965,1280 1.177,1281 1.993,1282 1.77,1283 1.737,1284 1.938,1285 1.886,1286 1.161,1287 1.902,1288 1.676,1289 1.612,1290 1.879,1291 1.835,1292 1.056,1293 1.852,1294 1.506,1295 1.434,1296 1.776,1297 1.748,1298 0.974,1299 1.75,1300 1.401,1301 1.33,1302 1.69,1303 1.702,1304 0.849,1305 1.709,1306 1.32,1307 1.244,1308 1.636,1309 1.55,1310 0.695,1311 1.583,1312 4.466,1314 5.74,1316 7.206,1318 8.774,1320 10.406,1322 3.68,1328 12.121,1329 2.463,1330 17.068,1333 2.31,1340 48.626,1341 112.802,1342 255.041,1343 351.171,1344 421.715,1345 456.244,1346 470.244,1347 86.844,1348 8.293,1349 81.01,1350 81.01,1351 24,1352 12.664,1353 4.392,1354 3.585,1355 74.493,1356 314,1357 260,1358 0.11,1359 299.113,1360 534.23,1361 721.595,1362 69618,1364 28.158,1365 0.704,1366 0.59,1367 28.158,1368 23.617,1369 19.529,1370 0.454,1371 0.332,1372 14.109,1373 18.825,1374 13.761,1375 11.519,1376 19.529,1377 14.288,1378 16.654,1379 0.297,1380 0.184,1381 16.654,1382 10.287,1383 13.443,1384 0.192,1385 0.1,1386 13.443,1387 7.018,1388 10.954,1389 0.123,1390 0.055,1391 10.954,1392 4.862,1393 8.685,1394 0.078,1395 0.03,1396 8.685,1397 3.308,1398 0.19,1399 122.126,1400 0.186,1401 38.104,1402 0.262,1403 198,1404 574.656,1405 217.743,1406 543.307,1407 738.03,1408 510,1409 225,1410 537.442,1411 244.112,1412 539.898,1413 787.27,1414 507,1415 7.662}
{0 CHEMBL545103,1 1.461,2 8.95,3 3.438,4 11.818,5 78.817,6 6.809,7 0.286,8 3.756,9 3.883,10 3.24,11 3.257,12 4.833,13 3.224,14 4.307,15 4.507,16 3.563,17 3.623,18 5.332,19 3.561,20 4.521,21 4.739,22 3.624,23 3.748,24 5.491,25 3.667,26 4.61,27 4.821,28 3.56,29 3.73,30 5.658,31 3.648,32 4.558,33 4.801,34 3.423,35 3.662,36 5.559,37 3.55,38 4.354,39 4.581,40 3.355,41 3.564,42 5.408,43 3.463,44 4.327,45 4.555,46 3.121,47 3.509,48 5.351,49 3.358,50 4.297,51 4.589,52 2.772,53 3.337,54 5.101,55 3.113,56 0.023,57 0.557,58 8.992,59 3.668,60 8.435,61 5.072,62 0.332,63 0.88,64 16.851,65 5.783,66 26.508,67 8.428,68 0.137,69 1.024,70 20.885,71 7.512,72 24.546,73 10.688,74 0.336,75 1.024,76 23.809,77 7.744,78 49.644,79 10.574,80 0.353,81 0.966,82 22.653,83 7.548,84 44.814,85 10.634,86 0.167,87 0.852,88 17.814,89 6.332,90 32.996,91 9.025,92 0.264,93 0.812,94 17.449,95 6.389,96 39.015,97 8.974,98 0.108,99 0.744,100 16.974,101 6.286,102 27.675,103 9.358,104 30,105 28,106 0.263,107 0.643,108 0.858,109 0.879,110 0.879,111 0.879,112 3.058,113 0.984,114 -3.77,115 -3.73,116 -3.55,121 40,122 1,123 2,126 1,127 2,129 1,142 1,143 1,144 3,145 2,146 1,161 1,176 7,179 3,180 3,185 3,187 7,192 3,197 4,200 5,206 8,211 1,214 5,219 6,222 1,224 1,227 5,232 4,239 6,244 1,247 2,251 5,256 1,264 3,269 2,274 1,281 492,282 13.569,283 13.569,284 13.569,285 13.569,286 13.569,287 12.504,288 18.611,289 8.166,290 13.88,291 10.236,292 10.236,293 10.236,294 10.236,295 10.236,296 8.479,297 22.053,298 3.702,299 10.678,300 3.861,301 1.753,302 0.557,303 0.438,304 0.438,305 0.438,306 3.714,310 1,311 1,312 1,313 360,314 3.606,317 41.683,318 52.88,321 79.767,325 1.55,326 18.194,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 43,338 179,339 4.459,340 3.784,341 6.714,342 4.147,343 3.165,344 4.078,345 2.208,346 10.916,347 3.109,348 3.91,349 3.401,350 5.93,351 3.648,352 2.718,353 3.099,354 0.911,355 8.216,356 2.509,357 3.563,358 2.742,359 5.648,360 3.285,361 2.331,362 2.722,363 0.655,364 7.293,365 2.218,366 3.451,367 2.401,368 4.604,369 2.607,370 1.657,371 2.126,372 0.44,373 4.488,374 1.573,375 2.942,376 2.148,377 4.152,378 2.543,379 1.545,380 2.075,381 0.13,382 3.726,383 1.538,384 2.707,385 1.759,386 3.826,387 2.29,388 1.325,389 1.621,391 2.914,392 1.265,393 2.512,394 1.607,395 3.437,396 2.155,397 1.164,398 1.439,400 2.497,401 1.145,402 2.036,403 1.073,404 3.286,405 1.818,406 0.829,407 0.944,409 1.848,410 0.816,411 1.724,412 0.68,413 2.694,414 1.2,415 0.248,416 0.31,418 0.405,419 0.235,420 1.213,421 0.459,422 2.424,423 1.11,424 0.142,425 0.154,427 0.199,428 0.137,429 1.175,430 0.34,431 2.296,432 0.768,433 -0.209,434 -0.271,436 -0.472,437 -0.201,438 0.655,439 -0.259,440 2,441 0.255,442 -0.725,443 -0.952,445 -1.527,446 -0.707,447 0.535,448 -0.466,449 1.924,450 0.09,451 -0.908,452 -1.194,454 -2.291,455 -0.892,456 0.14,457 -0.849,458 1.672,459 -0.17,460 -1.16,461 -1.374,463 -2.553,464 -1.149,465 -0.187,466 -0.891,467 1.304,468 -0.366,469 -1.304,470 -1.483,472 -2.841,473 -1.223,474 9.467,475 0.473,476 0.418,477 0.021,478 22.5,479 1.125,480 10,481 0.5,482 12.5,483 0.625,484 16.216,485 0.811,486 22.333,487 0.558,488 15.629,489 0.781,490 4.524,491 0.226,492 5.144,493 0.257,494 0.194,496 0.306,501 0.803,502 1.442,503 0.875,504 1.22,505 0.63,506 1.076,507 0.686,508 0.961,509 0.895,510 0.906,511 0.47,512 0.91,513 0.97,514 1.172,515 0.923,516 1.127,517 0.695,518 1.029,519 1.877,520 1.021,521 1.214,522 1.011,523 1.56,524 1.027,525 1.434,526 0.891,527 1.052,528 0.875,529 1.379,530 0.917,531 1.085,532 1.069,533 1.016,534 1.038,535 1.419,536 1.019,537 1.056,538 1.005,539 1.276,540 1.16,541 1.313,542 1.244,543 0.483,544 1.193,545 1.005,546 1.237,547 0.572,548 1.206,549 3.5,550 0.033,551 2.667,552 1.257,553 0.858,554 0.566,555 0.457,556 0.29,557 0.146,558 0.06,559 3330,560 8580,561 1.966,562 50,563 2,564 11,565 1,567 1,569 5,572 1.62,573 1.818,574 3.136,575 -0.32,577 1,579 1,582 58.439,583 1.461,584 3.569,585 4.765,586 4.884,587 4.884,588 4.884,589 2.666,590 4.022,591 4.285,592 3.248,593 617.092,594 7.336,595 6279.69,596 1,597 1,598 1,599 1,600 212.877,601 1.485,602 4.237,603 0.167,604 0.007,605 0.095,606 0.043,607 0.033,608 0.025,609 0.021,610 0.018,611 0.015,612 0.01,613 0.433,614 0.67,615 1,616 1.893,617 88.496,618 -0.014,619 -0.214,620 0.048,621 -0.103,622 -0.021,623 -0.032,624 0.297,625 0.176,626 0.078,627 0.093,628 0.154,629 0.065,630 -0.008,631 -0.137,632 0.043,633 -0.12,634 0.042,635 -0.039,636 -0.267,637 -0.054,638 -0.173,639 -0.045,640 -0.196,641 -0.09,642 -0.115,643 0.044,644 -0.038,645 0.087,646 -0.12,647 0.037,648 -0.097,649 -0.055,650 -0.046,651 -0.039,652 -0.139,653 -0.035,654 -0.063,656 -0.313,657 -0.162,658 -0.142,659 -0.263,660 0.054,661 -0.294,662 -0.082,663 -0.259,664 0.071,665 -0.203,666 1.985,667 4.858,668 0.45,669 16.52,670 0.995,671 1.129,672 2.538,673 6.441,674 0.644,675 3.091,676 3.367,677 3.638,678 3.85,679 4.007,680 4.094,681 4.174,682 4.22,683 4.043,684 3.892,685 5.178,686 0.605,687 272.38,688 3.091,689 4.595,690 5.434,691 6.297,692 7.165,693 8.042,694 8.921,695 9.806,696 10.691,697 11.579,698 5,700 1,705 1,715 3,720 3,722 6,737 1,741 40,743 8,744 1,745 21,747 41,748 16,749 6,750 3,751 3,756 2,757 3,763 1,767 3,770 3,771 2,772 7,773 7,777 1,782 1,786 1,789 1,790 1,793 20,794 4,795 1,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,836 1,837 1,853 1,859 1,864 2,868 20,876 4,877 1,878 1,880 1,881 1,885 1,886 1,891 1,893 5,896 1,898 1,901 11,902 7.7,903 4.694,904 2.531,907 1.539,908 1.241,909 0.928,910 4.917,911 7.923,912 3.332,913 3.773,914 4.245,915 4.704,916 5.149,917 5.333,918 5.592,919 5.826,920 5.726,921 5.77,922 1,923 29,924 7.384,926 2.992,927 0.026,929 7.775,931 14.15,933 11.193,936 2.275,937 45.5,938 0.001,941 223.651,942 113.66,943 21.135,945 36.145,948 113.66,949 259.796,950 21.135,951 17.222,952 12.405,953 46.439,954 25.145,955 22.614,956 58.885,957 211.88,959 223.651,960 134.795,961 36.145,964 164.795,965 95,968 39.241,969 78.523,970 17.031,972 223.651,973 57.28,974 113.66,977 223.651,978 27.658,979 48.775,980 35.041,981 59.466,982 223.651,983 57.28,984 113.66,986 0.561,987 0.339,988 0.173,989 0.092,990 12,991 6,992 0.122,993 5,994 1,995 1.222,996 3.169,997 142.319,998 0.222,999 9,1000 86.439,1005 14.741,1006 6.671,1007 3.278,1009 57.28,1010 5.838,1015 2.961,1017 18.011,1018 394.591,1019 27,1024 11.858,1028 -0.319,1031 39.811,1032 45.152,1034 0.275,1035 0.671,1036 0.895,1037 0.918,1038 0.918,1039 0.918,1040 4.57,1041 0.829,1042 5.407,1043 2.497,1044 4.043,1045 4.454,1046 2.503,1047 6.217,1048 3.964,1049 5.744,1050 0.248,1051 6.971,1052 1.848,1053 3.611,1054 4.182,1055 1.847,1056 7.168,1057 3.489,1058 7.033,1059 0.142,1060 8.642,1061 0.405,1062 5.624,1063 6.494,1064 3.569,1065 10.273,1066 5.469,1067 8.357,1068 -0.209,1069 10.376,1070 0.199,1071 6.066,1072 7.098,1073 3.656,1074 12.076,1075 5.881,1076 9.715,1077 -0.725,1078 12.15,1079 -0.472,1080 7.527,1081 8.89,1082 4.964,1083 14.697,1084 7.317,1085 11.097,1086 -0.908,1087 13.951,1088 -1.527,1089 8.356,1090 9.899,1091 5.37,1092 16.836,1093 8.128,1094 12.497,1095 -1.16,1096 15.771,1097 -2.291,1098 9.608,1099 11.486,1100 6.459,1101 19.301,1102 9.362,1103 3.165,1104 -1.304,1105 17.605,1106 -2.553,1107 10.609,1108 12.69,1109 7.028,1110 21.582,1111 10.35,1112 2.718,1113 10.916,1114 19.45,1115 -2.841,1116 11.783,1117 14.186,1118 7.994,1119 23.994,1120 11.51,1121 2.331,1122 8.216,1123 21.303,1124 4.078,1125 12.859,1126 15.486,1127 8.654,1128 26.335,1129 12.575,1130 1.657,1131 7.293,1132 23.163,1133 3.099,1134 14.006,1135 16.938,1136 9.549,1137 28.73,1138 13.711,1139 1.545,1140 4.488,1141 25.028,1142 2.722,1143 15.117,1144 18.287,1145 10.263,1146 31.098,1147 14.812,1148 1.325,1149 3.726,1150 26.899,1151 2.126,1152 16.258,1153 19.717,1154 11.116,1155 33.488,1156 15.941,1157 1.164,1158 2.914,1159 28.774,1160 2.075,1161 17.385,1162 21.093,1163 11.862,1164 35.868,1165 17.058,1166 3507,1167 5699,1168 13.523,1169 25.773,1170 31.463,1171 31.576,1172 32.582,1173 30.27,1174 30.248,1175 37.136,1176 8.689,1177 85.002,1178 29.088,1179 5.365,1180 5.784,1181 6.576,1182 5.22,1183 5.165,1184 7.078,1185 3.912,1186 18.095,1187 5.109,1188 11.103,1189 1.498,1190 1.504,1191 1.552,1192 1.441,1193 1.44,1194 1.768,1195 0.414,1196 4.048,1197 1.385,1198 4.034,1199 4.061,1200 3.976,1201 3.962,1202 7.433,1203 3.961,1204 3.686,1205 3.751,1206 3.59,1207 3.451,1208 5.432,1209 3.467,1210 3.568,1211 3.628,1212 3.46,1213 3.426,1214 4.808,1215 3.429,1216 3.383,1217 3.44,1218 3.247,1219 3.28,1220 4.316,1221 3.264,1222 3.224,1223 3.29,1224 3.066,1225 2.979,1226 4.185,1227 2.991,1228 3.035,1229 3.1,1230 2.845,1231 2.849,1232 4.049,1233 2.837,1234 2.906,1235 2.973,1236 2.699,1237 2.621,1238 3.769,1239 2.639,1240 2.683,1241 2.752,1242 2.528,1243 2.481,1244 3.731,1245 2.481,1246 0.212,1247 0.18,1248 0.32,1249 0.197,1250 0.151,1251 4.459,1252 0.194,1253 3.784,1254 0.105,1255 6.714,1256 0.52,1257 4.147,1258 0.148,1259 3.165,1260 4.078,1261 2.208,1262 10.916,1263 3.109,1264 1.894,1265 1.876,1266 1.987,1267 1.988,1268 1.187,1269 1.986,1270 1.639,1271 1.579,1272 1.873,1273 1.865,1274 1.175,1275 1.868,1276 1.6,1277 1.524,1278 1.852,1279 1.814,1280 1.038,1281 1.831,1282 1.431,1283 1.38,1284 1.657,1285 1.577,1286 0.73,1287 1.61,1288 1.187,1289 1.105,1290 1.568,1291 1.473,1292 0.623,1293 1.506,1294 1.067,1295 1.011,1296 1.305,1297 1.246,1298 0.462,1299 1.262,1300 0.894,1301 0.857,1302 1.094,1303 1.218,1304 0.143,1305 1.188,1306 0.676,1307 0.591,1308 1.028,1309 0.926,1310 0.106,1311 0.966,1312 3.761,1314 5.043,1315 2.398,1316 6.529,1317 4.727,1318 8.113,1319 6.843,1320 9.753,1322 3.638,1328 3.055,1329 3.315,1330 5.482,1332 0.253,1333 1.544,1337 5.284,1339 2.592,1340 24.214,1341 58.439,1342 142.764,1343 190.612,1344 195.367,1345 195.367,1346 195.367,1347 34.792,1348 6.384,1349 41.57,1350 41.57,1351 11,1352 12.11,1353 3.17,1354 2.807,1355 36.352,1356 61,1357 70,1358 0.305,1359 153.478,1360 273.48,1361 366.246,1362 4078,1364 14.535,1365 0.727,1366 0.599,1367 14.535,1368 11.979,1369 9.668,1370 0.46,1371 0.328,1372 6.789,1373 9.301,1374 6.568,1375 5.501,1376 9.668,1377 6.885,1378 8.097,1379 0.289,1380 0.174,1381 8.097,1382 4.882,1383 6.962,1384 0.188,1385 0.099,1386 6.962,1387 3.662,1388 5.279,1389 0.115,1390 0.052,1391 5.279,1392 2.412,1393 3.991,1394 0.074,1395 0.028,1396 3.991,1397 1.517,1398 0.468,1399 60.517,1400 0.272,1401 19.845,1402 0.867,1403 98,1404 285.449,1405 108.555,1406 274.451,1407 369.97,1408 256,1409 114,1410 267.782,1411 124.309,1412 270.834,1413 394.51,1414 253,1415 5.668}
{0 CHEMBL545104,1 1.465,2 7.778,3 2.246,4 5.043,5 71.237,6 6.536,7 0.316,8 3.708,9 3.841,10 3.158,11 3.176,12 4.716,13 3.142,14 4.278,15 4.491,16 3.495,17 3.561,18 5.273,19 3.496,20 4.475,21 4.698,22 3.5,23 3.673,24 5.425,25 3.578,26 4.544,27 4.784,28 3.356,29 3.612,30 5.508,31 3.501,32 4.383,33 4.632,34 3.262,35 3.51,36 5.29,37 3.383,38 4.308,39 4.554,40 3.064,41 3.414,42 5.184,43 3.269,44 4.243,45 4.526,46 2.959,47 3.241,48 5.129,49 3.084,50 4.005,51 4.259,52 2.638,53 3.001,54 4.939,55 2.864,56 0.023,57 0.534,58 9.052,59 3.477,60 5.922,61 5.012,62 0.345,63 0.83,64 16.851,65 5.511,66 25.828,67 8.301,68 0.15,69 0.942,70 20.28,71 7.032,72 24.004,73 10.299,74 0.338,75 0.902,76 22.422,77 6.97,78 45.829,79 10.131,80 0.209,81 0.812,82 18.584,83 6.334,84 24.76,85 9.379,86 0.186,87 0.738,88 17.273,89 5.875,90 23.993,91 8.614,92 0.226,93 0.653,94 16.305,95 5.258,96 25.047,97 7.921,98 0.226,99 0.516,100 13.104,101 3.595,102 27.481,103 5.549,104 26,105 26,106 0.27,107 0.591,108 0.807,109 0.83,110 0.83,111 0.83,112 2.96,113 1.006,114 -3.35,115 -3.33,116 -3.19,121 36.8,122 1,123 2,126 2,127 1,129 1,144 3,145 2,146 1,161 1,176 6,179 3,180 2,185 3,187 8,192 2,197 3,200 6,206 5,211 1,214 3,219 6,222 1,224 1,227 3,232 2,239 1,244 5,247 2,251 1,269 2,281 332,282 11.939,283 11.939,284 11.939,285 11.939,286 11.939,287 11.109,288 18.544,289 7.094,290 12.257,291 9.321,292 9.321,293 9.321,294 9.321,295 9.321,296 7.925,297 23.397,298 3.269,299 9.762,300 3.783,301 2.04,302 0.869,303 0.744,304 0.744,305 0.744,306 3.612,310 1,311 1,312 1,313 284,314 3.317,317 39.835,318 44.629,321 70.744,325 1.247,326 14.826,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 39,338 140,339 4.382,340 3.763,341 6.547,342 4.083,343 3.095,344 3.98,345 2.208,346 10.364,347 3.058,348 3.916,349 3.352,350 5.808,351 3.624,352 2.697,353 3.145,354 0.657,355 7.845,356 2.478,357 3.516,358 2.61,359 5.239,360 3.199,361 2.246,362 2.753,363 0.655,364 6.413,365 2.134,366 3.163,367 2.279,368 5.081,369 2.919,370 1.951,371 2.296,372 0.13,373 5.871,374 1.884,375 2.61,376 1.977,377 4.158,378 2.306,379 1.325,380 1.636,382 3.511,383 1.297,384 2.324,385 1.528,386 3.536,387 2.073,388 1.119,389 1.237,391 2.448,392 1.06,393 2.106,394 1.201,395 3.307,396 1.97,397 1,398 1.08,400 2.029,401 0.956,402 1.819,403 0.894,404 3.025,405 1.614,406 0.625,407 0.722,409 1.281,410 0.616,411 1.163,412 0.591,413 2.534,414 0.831,415 -0.134,416 -0.16,418 -0.295,419 -0.128,420 0.689,421 -0.127,422 2.187,423 0.463,424 -0.507,425 -0.56,427 -0.992,428 -0.488,429 0.581,430 -0.431,431 2,432 0.141,433 -0.858,434 -1,436 -2,437 -0.853,438 0.251,439 -0.6,440 1.853,441 -0.01,442 -1,443 -1.151,445 -2.223,446 -0.9,448 -0.781,449 1.574,450 -0.1,451 -1,452 -1.206,454 -2.676,455 -0.98,456 -0.23,457 -0.976,458 1.348,459 -0.455,460 -1.426,461 -1.629,463 -3.821,464 -1.383,465 -0.354,466 -1.162,467 1.05,468 -0.525,469 -1.497,470 -1.807,472 -4.246,473 -1.449,474 8.467,475 0.47,476 0.473,477 0.026,478 19.5,479 1.083,480 8,481 0.444,482 11.5,483 0.639,484 14.6,485 0.811,486 20.933,487 0.551,488 12.906,489 0.717,490 3.834,491 0.213,492 4.78,493 0.266,494 0.217,496 0.343,501 0.801,502 1.558,503 0.911,504 1.317,505 0.614,506 1.15,507 0.679,508 0.886,509 0.871,510 0.856,511 0.441,512 0.868,513 0.973,514 1.195,515 0.988,516 1.183,517 0.701,518 1.097,519 1.645,520 0.936,521 1.142,522 0.915,523 1.658,524 0.961,525 0.863,526 1.081,527 0.962,528 1.096,529 0.903,530 1.054,531 1.131,532 1.135,533 1.132,534 1.156,535 0.986,536 1.155,537 0.789,538 0.984,539 0.883,540 1.018,541 0.975,542 0.98,543 1.764,544 0.992,545 1.345,546 0.946,547 2.046,548 1.066,549 4,551 2.222,552 1.104,553 0.893,554 0.479,555 0.371,556 0.302,557 0.137,558 0.04,559 2504,560 5790,561 1.963,562 52.6,563 2,564 12,567 1,569 5,572 1.588,573 1.8,574 2.983,575 -0.28,577 1,578 1,579 1,582 55.68,583 1.465,584 3.208,585 4.379,586 4.504,587 4.504,588 4.504,589 2.489,590 3.419,591 4.138,592 3.093,593 473.174,594 7.031,595 4457.36,596 1,597 1,599 1,600 199.421,601 1.53,602 4.076,603 0.211,605 0.085,606 0.044,607 0.043,608 0.025,609 0.025,610 0.023,611 0.015,612 0.01,613 0.481,614 0.67,615 1,616 1.65,617 76.196,618 -0.013,619 -0.249,620 0.054,621 -0.119,622 -0.04,623 -0.036,624 0.286,625 0.277,626 0.122,627 0.175,628 0.213,629 0.138,630 -0.038,631 -0.133,632 -0.019,633 -0.138,634 0.058,635 -0.079,636 -0.239,637 0.009,638 -0.116,639 0.052,640 -0.178,641 -0.009,642 0.046,643 -0.088,644 0.001,645 -0.088,646 0.019,647 -0.057,648 -0.124,649 -0.162,650 -0.163,651 -0.148,652 -0.131,653 -0.163,654 0.143,655 -0.075,656 0.083,657 -0.075,658 0.046,659 -0.021,660 -0.335,661 -0.036,662 -0.309,663 -0.045,664 -0.293,665 -0.159,666 2.007,667 4.508,668 0.5,669 12.494,670 0.995,671 1.136,672 2.118,673 4.488,674 0.626,675 2.996,676 3.296,677 3.526,678 3.738,679 3.912,680 3.951,681 4.06,682 4.111,683 3.871,684 3.638,685 4.739,686 0.585,687 248.36,688 2.996,689 4.511,690 5.342,691 6.209,692 7.069,693 7.943,694 8.814,695 9.692,696 10.569,697 11.449,698 5.3,700 1,705 1,715 3,720 3,722 6,737 1,741 38,743 7,744 1,745 19,747 39,748 14,749 6,750 3,751 3,756 2,757 3,763 1,767 3,770 3,772 7,773 7,777 1,782 1,786 1,790 1,793 20,794 4,795 1,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,853 1,859 1,864 3,868 18,876 3,877 1,878 1,880 1,881 1,893 5.3,896 1,898 1,901 10,902 7.617,903 4.083,904 2.415,907 1.313,908 1.212,909 0.926,910 4.122,911 7.495,912 3.178,913 3.676,914 4.147,915 4.619,916 5.103,917 5.266,918 5.543,919 5.731,920 5.464,921 5.214,922 1,923 25,924 6.663,926 2.702,927 0.026,929 7.694,931 12.909,933 10.278,936 2.194,937 39.5,938 0.002,941 223.651,942 79.599,943 21.135,945 36.145,948 79.599,949 259.796,950 21.135,951 25.618,952 10.299,953 46.439,954 25.145,955 22.614,956 6.763,957 223.651,959 223.651,960 100.734,961 36.145,964 164.795,965 95,968 37.135,969 63.599,972 223.651,973 57.28,974 79.599,977 223.651,978 25.552,979 57.171,980 18.011,981 36.145,982 223.651,983 57.28,984 79.599,986 0.574,987 0.332,988 0.167,989 0.093,990 12,991 6,992 0.103,993 4,994 1,995 1.222,996 2.984,997 122.966,998 0.222,999 9,1000 73.059,1005 13.217,1006 5.613,1007 2.98,1009 57.28,1010 5.913,1015 3.24,1017 18.011,1018 360.529,1019 23,1024 11.508,1028 -0.34,1031 37.811,1032 43.152,1034 0.279,1035 0.611,1036 0.834,1037 0.858,1038 0.858,1039 0.858,1040 4.413,1041 0.625,1042 5.333,1043 2.029,1044 3.97,1045 4.357,1046 2.401,1047 6.129,1048 3.889,1049 5.584,1050 -0.134,1051 6.891,1052 1.281,1053 3.611,1054 4.182,1055 1.847,1056 7.024,1057 3.489,1058 6.875,1059 -0.507,1060 8.548,1061 -0.295,1062 5.549,1063 6.417,1064 3.538,1065 10.09,1066 5.398,1067 8.2,1068 -0.858,1069 10.263,1070 -0.992,1071 5.994,1072 7.031,1073 3.656,1074 11.809,1075 5.816,1076 9.559,1077 -1,1078 12.012,1079 -2,1080 7.426,1081 8.801,1082 4.957,1083 14.395,1084 7.228,1085 10.94,1086 -1,1087 13.786,1088 -2.223,1089 8.23,1090 9.771,1091 5.37,1092 16.465,1093 8.018,1094 12.337,1095 -1.426,1096 15.577,1097 -2.676,1098 9.464,1099 11.349,1100 6.458,1101 18.886,1102 9.238,1103 3.095,1104 -1.497,1105 17.382,1106 -3.821,1107 10.435,1108 12.501,1109 7.028,1110 21.11,1111 10.202,1112 2.697,1113 10.364,1114 19.198,1115 -4.246,1116 11.591,1117 13.989,1118 7.994,1119 23.473,1120 11.349,1121 2.246,1122 7.845,1123 21.023,1124 3.98,1125 12.639,1126 15.24,1127 8.654,1128 25.762,1129 12.393,1130 1.951,1131 6.413,1132 22.856,1133 3.145,1134 13.767,1135 16.68,1136 9.549,1137 28.106,1138 13.515,1139 1.325,1140 5.871,1141 24.695,1142 2.753,1143 14.851,1144 17.987,1145 10.263,1146 30.422,1147 14.596,1148 1.119,1149 3.511,1150 26.539,1151 2.296,1152 15.97,1153 19.401,1154 11.116,1155 32.761,1156 15.71,1157 1,1158 2.448,1159 28.388,1160 1.636,1161 17.073,1162 20.739,1163 11.862,1164 35.089,1165 16.809,1166 2637,1167 4105,1168 12.137,1169 23.773,1170 28.302,1171 29.306,1172 29.612,1173 28.163,1174 28.118,1175 33.699,1176 7.3,1177 79.522,1178 26.965,1179 5.26,1180 5.763,1181 6.313,1182 5.143,1183 5.095,1184 6.98,1185 3.912,1186 17.019,1187 5.058,1188 10.253,1189 1.49,1190 1.542,1191 1.559,1192 1.482,1193 1.48,1194 1.774,1195 0.384,1196 4.185,1197 1.419,1198 4.031,1199 4.061,1200 3.97,1201 3.962,1202 7.433,1203 3.96,1204 3.653,1205 3.71,1206 3.57,1207 3.413,1208 4.814,1209 3.431,1210 3.548,1211 3.631,1212 3.396,1213 3.326,1214 4.372,1215 3.34,1216 3.368,1217 3.437,1218 3.186,1219 3.211,1220 4.229,1221 3.194,1222 3.02,1223 3.074,1224 2.871,1225 2.848,1226 4.074,1227 2.839,1228 2.916,1229 3.009,1230 2.754,1231 2.618,1232 3.793,1233 2.659,1234 2.874,1235 2.959,1236 2.499,1237 2.618,1238 3.518,1239 2.57,1240 2.665,1241 2.775,1242 2.419,1243 2.42,1244 3.467,1245 2.406,1246 0.231,1247 0.198,1248 0.345,1249 0.215,1250 0.163,1251 4.382,1252 0.209,1253 3.763,1254 0.116,1255 6.547,1256 0.545,1257 4.083,1258 0.161,1259 3.095,1260 3.98,1261 2.208,1262 10.364,1263 3.058,1264 1.894,1265 1.875,1266 1.989,1267 1.988,1268 1.2,1269 1.987,1270 1.638,1271 1.567,1272 1.891,1273 1.85,1274 1.174,1275 1.866,1276 1.517,1277 1.444,1278 1.784,1279 1.806,1280 0.945,1281 1.802,1282 1.421,1283 1.339,1284 1.737,1285 1.622,1286 0.834,1287 1.666,1288 1.059,1289 1.016,1290 1.417,1291 1.302,1292 0.482,1293 1.308,1294 0.934,1295 0.804,1296 1.302,1297 1.239,1298 0.469,1299 1.293,1300 0.835,1301 0.79,1302 1.093,1303 1.125,1304 0.162,1305 1.106,1306 0.678,1307 0.634,1308 1.029,1309 0.952,1310 0.153,1311 0.988,1312 3.664,1314 4.963,1315 2.398,1316 6.45,1317 4.727,1318 8.027,1319 6.823,1320 9.654,1322 5.461,1328 3.162,1329 3.453,1330 5.287,1332 0.392,1333 1.426,1340 22.214,1341 55.68,1342 121.911,1343 166.402,1344 171.157,1345 171.157,1346 171.157,1347 26.956,1348 6.182,1349 41.57,1350 41.57,1351 11,1352 11.986,1353 3,1354 2.322,1355 30.972,1356 52,1357 49,1358 0.315,1359 140.148,1360 244.16,1361 333.721,1362 3074,1364 13.121,1365 0.729,1366 0.622,1367 13.121,1368 11.194,1369 8.613,1370 0.453,1371 0.335,1372 6.268,1373 8.235,1374 6.017,1375 5.074,1376 8.613,1377 6.368,1378 7.686,1379 0.296,1380 0.184,1381 7.686,1382 4.772,1383 6.173,1384 0.187,1385 0.097,1386 6.173,1387 3.216,1388 4.678,1389 0.114,1390 0.056,1391 4.678,1392 2.294,1393 3.721,1394 0.076,1395 0.031,1396 3.721,1397 1.51,1398 0.479,1399 54.272,1400 0.287,1401 17.974,1402 0.897,1403 90,1404 257.449,1405 100.222,1406 244.137,1407 330.37,1408 228,1409 104,1410 241.43,1411 113.644,1412 244.323,1413 355.13,1414 227,1415 4.611}
{0 CHEMBL545331,1 1.461,2 7.7,3 3.625,4 13.14,5 79.364,6 6.809,7 0.286,8 3.756,9 3.882,10 3.246,11 3.248,12 4.841,13 3.217,14 4.312,15 4.522,16 3.581,17 3.621,18 5.322,19 3.57,20 4.491,21 4.674,22 3.659,23 3.795,24 5.499,25 3.714,26 4.714,27 4.947,28 3.637,29 3.825,30 5.698,31 3.731,32 4.582,33 4.803,34 3.539,35 3.784,36 5.57,37 3.672,38 4.555,39 4.792,40 3.474,41 3.693,42 5.602,43 3.581,44 4.453,45 4.706,46 3.19,47 3.559,48 5.482,49 3.407,50 4.343,51 4.634,52 2.65,53 3.298,54 5.279,55 3.082,56 0.015,57 0.558,58 8.984,59 3.637,60 8.345,61 5.059,62 0.37,63 0.885,64 17.127,65 5.532,66 25.829,67 8.177,68 0.087,69 1.028,70 19.778,71 7.748,72 21.882,73 10.715,74 0.427,75 1.124,76 26.581,77 8.74,78 53.629,79 12.129,80 0.202,81 1.064,82 22.39,83 8.137,84 33.871,85 11.469,86 0.311,87 1.001,88 22.241,89 7.674,90 40.342,91 10.867,92 0.203,93 0.904,94 19.973,95 6.866,96 44.992,97 10.014,98 0.269,99 0.762,100 18.448,101 5.604,102 43.543,103 8.512,104 38,105 29,106 0.263,107 0.597,108 0.772,109 0.831,110 0.831,111 0.831,112 3.059,113 0.956,114 -3.77,115 -3.73,116 -3.55,121 40,123 2,126 3,127 1,129 1,142 1,143 1,144 3,145 2,146 1,161 1,176 7,179 3,180 5,187 8,192 5,200 4,205 1,206 9,214 5,219 5,227 4,231 2,232 7,239 4,244 1,251 3,256 2,264 1,269 2,281 516,282 13.198,283 13.198,284 13.198,285 13.198,286 13.198,287 12.134,288 17.94,289 7.816,290 13.517,291 10.288,292 10.288,293 10.288,294 10.288,295 10.288,296 8.552,297 20.682,298 3.571,299 10.773,300 3.861,301 2.007,302 1.032,303 0.707,304 0.707,305 0.707,306 3.71,310 1,311 1,312 1,313 308,314 3.742,317 41.201,318 51.982,321 78.749,325 1.2,326 17.061,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 43,338 154,339 4.499,340 3.78,341 6.897,342 4.212,343 3.237,344 4.098,345 2.208,346 11.557,347 3.159,348 3.873,349 3.501,350 5.844,351 3.599,352 2.672,353 3.058,354 1.102,355 7.904,356 2.457,357 3.645,358 2.862,359 5.678,360 3.361,361 2.417,362 2.689,363 0.655,364 7.288,365 2.276,366 3.368,367 2.4,368 5.153,369 2.979,370 2.018,371 2.523,372 0.461,373 5.997,374 1.932,375 3.289,376 2.158,377 4.353,378 2.556,379 1.573,380 2.092,381 0.13,382 3.913,383 1.544,384 2.807,385 1.976,386 3.836,387 2.163,388 1.179,389 1.685,391 2.696,392 1.158,393 2.326,394 1.472,395 3.575,396 2.039,397 1.084,398 1.23,400 2.589,401 1.019,402 2.176,403 1.189,404 3.272,405 1.857,406 0.87,407 1.047,409 1.785,410 0.855,411 1.83,412 1.014,413 2.871,414 1.571,415 0.592,416 0.694,418 1.186,419 0.576,420 1.199,421 0.535,422 2.455,423 0.778,424 -0.191,425 -0.247,427 -0.473,428 -0.182,429 0.913,430 -0.264,431 2.239,432 0.389,433 -0.573,434 -0.815,436 -0.888,437 -0.548,438 0.542,439 -0.299,440 2,441 0.146,442 -0.831,443 -0.984,445 -2,446 -0.808,447 0.462,448 -0.6,449 1.894,450 0.081,451 -0.916,452 -1,454 -2.09,455 -0.899,457 -0.653,458 1.674,459 -0.1,460 -1,461 -1.21,463 -2.42,464 -0.9,465 -0.197,466 -0.92,467 1.4,468 -0.379,469 -1.349,470 -1.557,472 -3.394,473 -1.3,474 9.467,475 0.473,476 0.545,477 0.027,478 22.75,479 1.138,480 10,481 0.5,482 12.75,483 0.638,484 16.323,485 0.816,486 22.333,487 0.558,488 16.717,489 0.836,490 4.718,491 0.236,492 4.823,493 0.241,494 0.246,496 0.349,501 0.777,502 1.568,503 0.86,504 1.283,505 0.618,506 1.111,507 0.801,508 0.748,509 0.861,510 0.705,511 0.455,512 0.751,513 0.926,514 1.37,515 1.029,516 1.349,517 0.701,518 1.227,519 1.621,520 0.84,521 1.053,522 0.828,523 1.402,524 0.867,525 1.122,526 1.169,527 1.097,528 1.156,529 1.003,530 1.133,531 1.154,532 0.974,533 1.035,534 1,535 1.239,536 1.008,537 1.053,538 1.132,539 1.151,540 1.138,541 1.402,542 1.155,543 1.265,544 0.905,545 1.327,546 1.001,547 1.422,548 1.135,549 4,551 2.667,552 1.438,553 1.143,554 0.625,555 0.605,556 0.337,557 0.094,558 0.04,559 3074,560 8028,561 1.938,562 50,563 2,564 15,565 1,569 2,572 1.625,573 1.765,574 2.955,575 -0.787,577 1,579 1,582 58.439,583 1.461,584 3.315,585 4.29,586 4.615,587 4.615,588 4.615,589 2.433,590 4.222,591 4.289,592 3.06,593 581.327,594 7.368,595 5879.55,596 1,597 1,598 1,599 1,600 212.877,601 1.559,602 4.219,603 0.19,605 0.092,606 0.048,607 0.039,608 0.024,609 0.025,610 0.02,611 0.012,612 0.01,613 0.461,614 0.67,615 1,616 1.713,617 87.138,618 0.014,619 -0.343,620 0.063,621 -0.168,622 -0.016,623 -0.067,624 0.25,625 0.406,626 0.13,627 0.264,628 0.159,629 0.204,630 -0.01,631 -0.3,632 -0.084,633 -0.289,634 0.032,635 -0.209,636 -0.155,637 0.099,638 -0.021,639 0.133,640 -0.151,641 0.079,642 -0.108,643 -0.165,644 -0.13,645 -0.146,646 -0.094,647 -0.144,648 -0.012,649 0.001,650 -0.044,651 -0.027,652 -0.079,653 -0.043,654 -0.117,655 -0.161,656 -0.183,657 -0.171,658 -0.093,659 -0.185,660 -0.242,661 0.034,662 -0.335,663 -0.109,664 -0.149,665 -0.211,666 2.024,667 4.772,668 0.45,669 14.08,670 0.995,671 1.129,672 2.538,673 6.441,674 0.644,675 3.091,676 3.401,677 3.664,678 3.912,679 4.094,680 4.174,681 4.22,682 4.205,683 3.97,684 3.85,685 4.732,686 0.605,687 272.38,688 3.091,689 4.615,690 5.46,691 6.34,692 7.217,693 8.11,694 8.999,695 9.897,696 10.793,697 11.694,698 5,701 1,705 1,715 3,720 3,722 6,737 1,741 40,743 8,744 1,745 21,747 41,748 16,749 6,750 3,751 3,756 2,757 3,767 3,770 3,771 2,772 7,773 7,777 1,782 1,786 1,789 1,790 1,793 20,794 4,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,836 1,837 1,855 1,859 1,864 3,868 20,876 3,878 1,880 1,881 2,885 1,886 1,891 1,893 5,896 1,898 1,901 11.333,902 8.15,903 4.556,904 2.289,907 1.531,908 1.239,909 0.922,910 4.564,911 7.927,912 3.332,913 3.795,914 4.259,915 4.753,916 5.195,917 5.386,918 5.627,919 5.834,920 5.734,921 5.776,922 1,923 30,924 7.375,926 2.987,927 0.026,929 7.775,931 14.116,933 11.163,936 2.275,937 45.5,938 0.001,941 235.422,942 119.522,943 6.249,945 36.145,948 119.522,949 271.567,950 6.249,951 25.189,952 10.299,953 28.429,954 25.145,955 25.739,956 58.885,957 223.651,959 235.422,960 125.77,961 36.145,964 211.88,965 59.687,968 13.423,969 95.316,970 17.031,972 235.422,973 42.393,974 119.522,977 235.422,978 25.552,979 59.867,980 17.031,981 59.466,982 235.422,983 42.393,984 119.522,986 0.575,987 0.34,988 0.177,989 0.098,990 13,991 7,992 0.098,993 4,994 1,995 1.222,996 3.072,997 146.464,998 0.222,999 9,1000 84.439,1005 14.741,1006 6.192,1007 3.1,1009 42.393,1010 5.87,1015 2.982,1018 397.337,1019 27,1024 11.772,1028 -0.358,1031 39.811,1032 45.152,1034 0.275,1035 0.623,1036 0.806,1037 0.867,1038 0.867,1039 0.867,1040 4.59,1041 0.87,1042 5.46,1043 2.589,1044 4.078,1045 4.477,1046 2.554,1047 6.297,1048 3.991,1049 5.782,1050 0.592,1051 7.043,1052 1.785,1053 3.761,1054 4.27,1055 1.905,1056 7.306,1057 3.614,1058 7.08,1059 -0.191,1060 8.733,1061 1.186,1062 5.687,1063 6.521,1064 3.596,1065 10.428,1066 5.518,1067 8.41,1068 -0.573,1069 10.484,1070 -0.473,1071 6.196,1072 7.146,1073 3.678,1074 12.296,1075 5.982,1076 9.772,1077 -0.831,1078 12.274,1079 -0.888,1080 7.623,1081 8.919,1082 4.973,1083 14.959,1084 7.39,1085 11.157,1086 -0.916,1087 14.091,1088 -2,1089 8.494,1090 9.936,1091 5.376,1092 17.176,1093 8.233,1094 12.561,1095 -1,1096 15.929,1097 -2.09,1098 9.74,1099 11.518,1100 6.462,1101 19.693,1102 9.462,1103 3.237,1104 -1.349,1105 17.783,1106 -2.42,1107 10.773,1108 12.729,1109 7.03,1110 22.052,1111 10.475,1112 2.672,1113 11.557,1114 19.649,1115 -3.394,1116 11.957,1117 14.225,1118 7.995,1119 24.52,1120 11.642,1121 2.417,1122 7.904,1123 21.526,1124 4.098,1125 13.062,1126 15.533,1127 8.655,1128 26.934,1129 12.73,1130 2.018,1131 7.288,1132 23.412,1133 3.058,1134 14.228,1135 16.988,1136 9.55,1137 29.388,1138 13.88,1139 1.573,1140 5.997,1141 25.304,1142 2.689,1143 15.366,1144 18.345,1145 10.263,1146 31.822,1147 15,1148 1.179,1149 3.913,1150 27.203,1151 2.523,1152 16.529,1153 19.779,1154 11.116,1155 34.271,1156 16.146,1157 1.084,1158 2.696,1159 29.107,1160 2.092,1161 17.684,1162 21.161,1163 11.862,1164 36.713,1165 17.282,1166 3266,1167 5346,1168 13.235,1169 25.773,1170 32.484,1171 32.861,1172 33.242,1173 31.359,1174 31.287,1175 38.231,1176 9.111,1177 89.831,1178 29.954,1179 5.396,1180 5.78,1181 6.666,1182 5.276,1183 5.237,1184 7.098,1185 3.912,1186 18.693,1187 5.159,1188 12.103,1189 1.547,1190 1.565,1191 1.583,1192 1.493,1193 1.49,1194 1.821,1195 0.434,1196 4.278,1197 1.426,1198 4.039,1199 4.067,1200 3.982,1201 3.966,1202 7.433,1203 3.965,1204 3.648,1205 3.707,1206 3.561,1207 3.477,1208 5.43,1209 3.48,1210 3.599,1211 3.666,1212 3.495,1213 3.346,1214 4.806,1215 3.378,1216 3.379,1217 3.437,1218 3.242,1219 3.269,1220 4.304,1221 3.257,1222 3.156,1223 3.234,1224 2.997,1225 2.975,1226 4.192,1227 2.968,1228 3.05,1229 3.079,1230 2.889,1231 2.809,1232 4.07,1233 2.818,1234 2.874,1235 3.009,1236 2.634,1237 2.618,1238 3.848,1239 2.57,1240 2.785,1241 2.84,1242 2.499,1243 2.535,1244 3.467,1245 2.562,1246 0.214,1247 0.18,1248 0.328,1249 0.201,1250 0.154,1251 4.499,1252 0.195,1253 3.78,1254 0.105,1255 6.897,1256 0.55,1257 4.212,1258 0.15,1259 3.237,1260 4.098,1261 2.208,1262 11.557,1263 3.159,1264 1.896,1265 1.878,1266 1.989,1267 1.992,1268 1.221,1269 1.989,1270 1.67,1271 1.608,1272 1.883,1273 1.86,1274 1.175,1275 1.872,1276 1.517,1277 1.445,1278 1.783,1279 1.809,1280 0.837,1281 1.803,1282 1.432,1283 1.377,1284 1.676,1285 1.591,1286 0.812,1287 1.624,1288 1.173,1289 1.096,1290 1.494,1291 1.379,1292 0.497,1293 1.422,1294 0.975,1295 0.903,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.934,1301 0.866,1302 1.261,1303 1.228,1304 0.452,1305 1.194,1306 0.886,1307 0.804,1308 1.063,1309 1.151,1310 0.113,1311 1.168,1312 3.761,1314 5.069,1315 2.398,1316 6.572,1317 4.727,1318 8.173,1319 6.862,1320 9.829,1322 5.352,1328 2.576,1330 5.486,1332 0.215,1333 3.549,1337 5.392,1339 2.664,1340 24.214,1341 58.439,1342 132.612,1343 171.593,1344 184.612,1345 184.612,1346 184.612,1347 34.687,1348 6.395,1349 32.78,1350 32.78,1351 11,1352 12.216,1353 3.17,1354 2.807,1355 36.098,1356 54,1357 63,1358 0.334,1359 153.478,1360 273.48,1361 366.246,1362 4030,1364 14.698,1365 0.735,1366 0.611,1367 14.698,1368 12.219,1369 9.541,1370 0.454,1371 0.319,1372 6.575,1373 9.138,1374 6.279,1375 5.299,1376 9.541,1377 6.689,1378 8.493,1379 0.293,1380 0.182,1381 8.493,1382 5.265,1383 6.891,1384 0.181,1385 0.095,1386 6.891,1387 3.612,1388 5.405,1389 0.11,1390 0.053,1391 5.405,1392 2.592,1393 4.166,1394 0.071,1395 0.028,1396 4.166,1397 1.674,1398 0.499,1399 60.043,1400 0.275,1401 19.491,1402 0.993,1403 100,1404 292.761,1405 110.583,1406 282.1,1407 377.65,1408 262,1409 117,1410 271.134,1411 127.975,1412 278.526,1413 402.75,1414 256,1415 5.155}
{0 CHEMBL545333,1 1.465,2 7.833,3 2.246,4 5.043,5 71.237,6 6.536,7 0.316,8 3.708,9 3.841,10 3.158,11 3.176,12 4.718,13 3.142,14 4.278,15 4.491,16 3.495,17 3.561,18 5.267,19 3.496,20 4.475,21 4.699,22 3.525,23 3.683,24 5.403,25 3.593,26 4.547,27 4.773,28 3.39,29 3.625,30 5.571,31 3.518,32 4.466,33 4.736,34 3.191,35 3.445,36 5.403,37 3.316,38 4.146,39 4.379,40 3.027,41 3.278,42 5.073,43 3.165,44 4.122,45 4.37,46 2.944,47 3.212,48 5.071,49 3.074,50 4.037,51 4.306,52 2.697,53 3.081,54 4.94,55 2.928,56 0.023,57 0.534,58 9.052,59 3.477,60 6.106,61 5.012,62 0.345,63 0.83,64 16.851,65 5.511,66 25.991,67 8.301,68 0.152,69 0.946,70 20.28,71 7.049,72 20.12,73 10.308,74 0.293,75 0.917,76 22.409,77 7.076,78 44.886,79 10.229,80 0.337,81 0.79,82 20.779,83 6.235,84 39.622,85 9.309,86 0.175,87 0.634,88 14.751,89 4.87,90 21.87,91 7.104,92 0.214,93 0.614,94 14.399,95 4.776,96 22.813,97 7.049,98 0.182,99 0.553,100 13.278,101 3.973,102 26.86,103 6.173,104 24,105 26,106 0.27,107 0.591,108 0.817,109 0.869,110 0.869,111 0.869,112 2.96,113 1.008,114 -3.35,115 -3.33,116 -3.19,121 36.8,122 1,123 2,126 2,127 1,129 1,144 3,145 2,146 1,161 1,176 6,179 3,180 3,185 2,187 8,192 2,197 3,200 6,206 7,211 1,214 1,219 6,222 1,224 1,232 2,239 2,244 4,247 2,251 2,264 1,274 1,277 2,281 350,282 12.102,283 12.102,284 12.102,285 12.102,286 12.102,287 11.272,288 18.544,289 6.985,290 12.438,291 9.204,292 9.204,293 9.204,294 9.204,295 9.204,296 7.814,297 22.665,298 3.115,299 9.634,300 3.783,301 2.04,302 0.816,303 0.533,304 0.533,305 0.533,306 3.611,310 1,311 1,312 1,313 288,314 3.317,317 40.658,318 45.114,321 71.662,325 1.204,326 14.735,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 39,338 141,339 4.381,340 3.774,341 6.544,342 4.081,343 3.093,344 3.98,345 2.208,346 10.344,347 3.056,348 3.939,349 3.348,350 5.91,351 3.664,352 2.737,353 3.16,354 0.657,355 8.133,356 2.517,357 3.53,358 2.615,359 5.264,360 3.215,361 2.267,362 2.772,363 0.655,364 6.574,365 2.146,366 3.146,367 2.255,368 5.076,369 2.9,370 1.929,371 2.282,372 0.13,373 5.806,374 1.87,375 2.571,376 2.132,377 4.146,378 2.294,379 1.319,380 1.583,382 3.474,383 1.278,384 2.516,385 1.42,386 3.837,387 2.195,388 1.213,389 1.452,391 2.873,392 1.176,393 1.973,394 1.042,395 3.268,396 1.795,397 0.819,398 0.913,400 1.771,401 0.797,402 1.422,403 0.733,404 2.756,405 1.248,406 0.303,407 0.326,409 0.485,410 0.285,411 1.197,412 0.515,413 2.611,414 1.118,415 0.155,416 0.159,418 0.21,419 0.148,420 1.061,421 0.362,422 2.264,423 0.714,424 -0.256,425 -0.313,427 -0.585,428 -0.243,429 0.581,430 -0.305,431 2,432 0.142,433 -0.857,434 -1.061,436 -2.045,437 -0.845,438 0.455,439 -0.769,440 1.927,441 0.097,442 -0.886,443 -1.162,445 -2.648,446 -0.867,447 -0.167,448 -0.782,449 1.577,450 -0.346,451 -1.296,452 -1.366,454 -2.832,455 -1.223,456 -0.263,457 -1.002,458 1.285,459 -0.416,460 -1.368,461 -1.545,463 -3.608,464 -1.295,465 -0.46,466 -1.26,467 1.054,468 -0.62,469 -1.572,470 -1.861,472 -4.351,473 -1.505,474 8.467,475 0.47,476 0.435,477 0.024,478 19.5,479 1.083,480 8,481 0.444,482 11.5,483 0.639,484 14.587,485 0.81,486 20.933,487 0.551,488 12.986,489 0.721,490 3.854,491 0.214,492 4.797,493 0.267,494 0.217,496 0.343,501 0.801,502 1.558,503 0.911,504 1.317,505 0.609,506 1.15,507 0.679,508 0.886,509 0.871,510 0.856,511 0.455,512 0.868,513 0.968,514 1.151,515 0.949,516 1.132,517 0.698,518 1.047,519 1.609,520 1.123,521 1.207,522 1.119,523 1.623,524 1.117,525 1.367,526 0.874,527 0.996,528 0.868,529 1.487,530 0.885,531 1.323,532 1.079,533 1.105,534 1.06,535 1.106,536 1.06,537 0.944,538 1.097,539 1.061,540 1.14,541 1.162,542 1.132,543 1.232,544 1.007,545 1.165,546 0.973,547 1.755,548 1.043,549 4,551 2.444,552 1.229,553 0.893,554 0.399,555 0.35,556 0.29,557 0.132,558 0.045,559 2524,560 5738,561 1.963,562 52.6,563 2,564 12,567 1,569 5,572 1.587,573 1.8,574 2.989,575 -0.28,577 1,578 1,579 1,582 55.68,583 1.465,584 3.208,585 4.432,586 4.715,587 4.715,588 4.715,589 2.441,590 3.837,591 4.141,592 3.085,593 471.983,594 7.029,595 4456.51,596 1,597 1,599 1,600 199.421,601 1.53,602 4.076,603 0.211,605 0.094,606 0.047,607 0.043,608 0.023,609 0.023,610 0.022,611 0.013,612 0.009,613 0.486,614 0.67,615 1,616 1.761,617 76.232,618 -0.013,619 -0.249,620 0.054,621 -0.119,622 -0.034,623 -0.036,624 0.286,625 0.277,626 0.122,627 0.175,628 0.198,629 0.138,630 -0.034,631 -0.088,632 0.021,633 -0.086,634 0.048,635 -0.028,636 -0.211,637 -0.15,638 -0.183,639 -0.132,640 -0.143,641 -0.153,642 -0.066,643 0.018,644 0.018,645 0.055,646 -0.096,647 0.047,648 -0.159,649 -0.087,650 -0.11,651 -0.054,652 -0.128,653 -0.075,654 0.074,655 -0.113,656 -0.084,657 -0.155,658 -0.032,659 -0.155,660 -0.192,661 -0.036,662 -0.181,663 -0.04,664 -0.17,665 -0.1,666 1.976,667 4.683,668 0.5,669 12.111,670 0.995,671 1.136,672 2.118,673 4.488,674 0.626,675 2.996,676 3.296,677 3.555,678 3.738,679 3.871,680 3.912,681 3.989,682 4.078,683 3.85,684 3.611,685 4.742,686 0.585,687 248.36,688 2.996,689 4.511,690 5.352,691 6.217,692 7.079,693 7.951,694 8.822,695 9.697,696 10.572,697 11.45,698 5.3,700 1,705 1,715 3,720 3,722 6,737 1,741 38,743 7,744 1,745 19,747 39,748 14,749 6,750 3,751 3,756 2,757 3,763 1,767 3,770 3,772 7,773 7,777 1,782 1,786 1,790 1,793 20,794 4,795 1,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,853 1,859 1,864 3,868 18,876 3,877 1,878 1,880 1,881 1,893 5.3,896 1,898 1,901 10,902 7.617,903 4.167,904 2.44,907 1.303,908 1.212,909 0.926,910 4.122,911 7.458,912 3.178,913 3.676,914 4.163,915 4.629,916 5.084,917 5.245,918 5.507,919 5.706,920 5.411,921 5.2,922 1,923 26,924 6.667,926 2.707,927 0.026,929 7.694,931 12.909,933 10.286,936 2.194,937 39.5,938 0.002,941 223.651,942 79.599,943 21.135,945 36.145,948 79.599,949 259.796,950 21.135,951 25.618,952 10.299,953 46.439,954 25.145,955 22.614,956 6.763,957 223.651,959 223.651,960 100.734,961 36.145,964 164.795,965 95,968 37.135,969 63.599,972 223.651,973 57.28,974 79.599,977 223.651,978 25.552,979 57.171,980 18.011,981 36.145,982 223.651,983 57.28,984 79.599,986 0.574,987 0.352,988 0.172,989 0.084,990 12,991 6,992 0.103,993 4,994 1,995 1.222,996 2.978,997 123.071,998 0.222,999 9,1000 75.059,1005 13.217,1006 5.613,1007 2.801,1009 57.28,1010 5.907,1015 3.223,1017 18.011,1018 360.529,1019 23,1024 11.683,1028 -0.309,1031 37.811,1032 43.152,1034 0.279,1035 0.611,1036 0.844,1037 0.898,1038 0.898,1039 0.898,1040 4.413,1041 0.303,1042 5.342,1043 1.771,1044 3.97,1045 4.357,1046 2.401,1047 6.146,1048 3.889,1049 5.584,1050 0.155,1051 6.909,1052 0.485,1053 3.611,1054 4.182,1055 1.847,1056 7.066,1057 3.489,1058 6.879,1059 -0.256,1060 8.573,1061 0.21,1062 5.565,1063 6.424,1064 3.538,1065 10.121,1066 5.411,1067 8.208,1068 -0.857,1069 10.291,1070 -0.585,1071 6.019,1072 7.04,1073 3.656,1074 11.847,1075 5.835,1076 9.57,1077 -0.886,1078 12.044,1079 -2.045,1080 7.447,1081 8.807,1082 4.957,1083 14.425,1084 7.243,1085 10.952,1086 -1.296,1087 13.82,1088 -2.648,1089 8.26,1090 9.779,1091 5.37,1092 16.493,1093 8.038,1094 12.351,1095 -1.368,1096 15.614,1097 -2.832,1098 9.489,1099 11.355,1100 6.458,1101 18.907,1102 9.254,1103 3.093,1104 -1.572,1105 17.42,1106 -3.608,1107 10.464,1108 12.508,1109 7.028,1110 21.125,1111 10.219,1112 2.737,1113 10.344,1114 19.237,1115 -4.351,1116 11.617,1117 13.993,1118 7.994,1119 23.482,1120 11.362,1121 2.267,1122 8.133,1123 21.062,1124 3.98,1125 12.666,1126 15.244,1127 8.654,1128 25.765,1129 12.405,1130 1.929,1131 6.574,1132 22.895,1133 3.16,1134 13.791,1135 16.683,1136 9.549,1137 28.104,1138 13.524,1139 1.319,1140 5.806,1141 24.733,1142 2.772,1143 14.874,1144 17.99,1145 10.263,1146 30.415,1147 14.604,1148 1.213,1149 3.474,1150 26.577,1151 2.282,1152 15.991,1153 19.403,1154 11.116,1155 32.749,1156 15.715,1157 0.819,1158 2.873,1159 28.425,1160 1.583,1161 17.092,1162 20.741,1163 11.862,1164 35.073,1165 16.812,1166 2648,1167 4080,1168 12.137,1169 23.773,1170 27.59,1171 28.582,1172 29.815,1173 27.685,1174 27.671,1175 33.256,1176 7.3,1177 79.341,1178 26.547,1179 5.256,1180 5.774,1181 6.089,1182 5.15,1183 5.093,1184 6.98,1185 3.912,1186 16.97,1187 5.056,1188 10.159,1189 1.452,1190 1.504,1191 1.569,1192 1.457,1193 1.456,1194 1.75,1195 0.384,1196 4.176,1197 1.397,1198 4.03,1199 4.059,1200 3.969,1201 3.961,1202 7.433,1203 3.958,1204 3.692,1205 3.755,1206 3.599,1207 3.448,1208 4.814,1209 3.47,1210 3.502,1211 3.57,1212 3.368,1213 3.341,1214 4.377,1215 3.337,1216 3.275,1217 3.361,1218 3.09,1219 3.036,1220 4.231,1221 3.034,1222 3.179,1223 3.268,1224 2.971,1225 2.94,1226 4.073,1227 2.935,1228 2.963,1229 3.019,1230 2.742,1231 2.776,1232 3.754,1233 2.757,1234 2.869,1235 2.93,1236 2.678,1237 2.615,1238 3.709,1239 2.634,1240 2.521,1241 2.619,1242 2.366,1243 2.364,1244 3.512,1245 2.354,1246 0.231,1247 0.199,1248 0.344,1249 0.215,1250 0.163,1251 4.381,1252 0.209,1253 3.774,1254 0.116,1255 6.544,1256 0.544,1257 4.081,1258 0.161,1259 3.093,1260 3.98,1261 2.208,1262 10.344,1263 3.056,1264 1.893,1265 1.875,1266 1.987,1267 1.988,1268 1.181,1269 1.985,1270 1.606,1271 1.538,1272 1.872,1273 1.859,1274 1.174,1275 1.863,1276 1.604,1277 1.53,1278 1.853,1279 1.808,1280 1.038,1281 1.828,1282 1.26,1283 1.18,1284 1.603,1285 1.524,1286 0.665,1287 1.553,1288 1.18,1289 1.086,1290 1.567,1291 1.461,1292 0.623,1293 1.501,1294 0.983,1295 0.92,1296 1.244,1297 1.248,1298 0.434,1299 1.233,1300 0.84,1301 0.788,1302 1.101,1303 1.085,1304 0.164,1305 1.104,1306 0.684,1307 0.634,1308 1.011,1309 0.93,1310 0.132,1311 0.961,1312 3.664,1314 4.963,1315 2.398,1316 6.46,1317 4.727,1318 8.043,1319 6.823,1320 9.672,1322 5.608,1328 2.838,1329 3.284,1330 5.344,1332 0.377,1333 1.544,1340 22.214,1341 55.68,1342 121.911,1343 168.402,1344 179.157,1345 179.157,1346 179.157,1347 27.655,1348 6.155,1349 41.57,1350 41.57,1351 11,1352 11.988,1353 3,1354 2.322,1355 31.019,1356 51,1357 50,1358 0.312,1359 140.148,1360 244.16,1361 333.721,1362 2970,1364 13.121,1365 0.729,1366 0.622,1367 13.121,1368 11.194,1369 8.651,1370 0.455,1371 0.336,1372 6.283,1373 8.267,1374 6.037,1375 5.081,1376 8.651,1377 6.384,1378 7.447,1379 0.286,1380 0.178,1381 7.447,1382 4.623,1383 6.515,1384 0.192,1385 0.104,1386 6.515,1387 3.535,1388 4.818,1389 0.118,1390 0.055,1391 4.818,1392 2.252,1393 3.521,1394 0.075,1395 0.029,1396 3.521,1397 1.376,1398 0.477,1399 54.519,1400 0.287,1401 17.975,1402 0.884,1403 90,1404 257.449,1405 100.222,1406 243.686,1407 330.83,1408 228,1409 105,1410 242.501,1411 114.644,1412 244.387,1413 356.9,1414 228,1415 4.413}
{0 CHEMBL545566,1 1.496,2 7.294,3 1.814,4 3.29,5 66.462,6 6.695,7 0.333,8 3.634,9 3.767,10 3.1,11 3.11,12 4.686,13 3.081,14 4.191,15 4.389,16 3.454,17 3.502,18 5.233,19 3.442,20 4.409,21 4.63,22 3.458,23 3.603,24 5.402,25 3.517,26 4.452,27 4.68,28 3.267,29 3.481,30 5.534,31 3.378,32 4.289,33 4.559,34 3.066,35 3.223,36 5.316,37 3.123,38 3.899,39 4.096,40 2.883,41 3.082,42 4.921,43 2.998,44 3.958,45 4.207,46 2.856,47 3.086,48 5.015,49 2.951,50 3.932,51 4.2,52 2.507,53 2.973,54 4.852,55 2.81,56 0.024,57 0.495,58 8.189,59 3.19,60 7.315,61 4.518,62 0.306,63 0.768,64 15.156,65 5.247,66 24.251,67 7.689,68 0.14,69 0.88,70 18.892,71 6.488,72 21.678,73 9.456,74 0.291,75 0.809,76 20.518,77 6.184,78 48.809,79 8.932,80 0.332,81 0.641,82 17.77,83 4.911,84 43.694,85 7.357,86 0.168,87 0.511,88 11.515,89 3.691,90 20.156,91 5.254,92 0.15,93 0.541,94 12.033,95 4.138,96 27.378,97 6.157,98 0.203,99 0.495,100 12.089,101 3.522,102 29.811,103 5.438,104 21,105 25,106 0.281,107 0.633,108 0.844,109 0.87,110 0.87,111 0.87,112 2.908,113 0.988,114 -3.08,115 -3.08,116 -2.97,121 37.1,122 1,123 2,126 1,127 1,129 1,144 3,145 2,146 1,161 1,165 1,166 1,167 1,176 6,179 3,180 3,185 2,187 8,189 2,192 2,197 3,200 6,203 3,206 7,211 1,214 1,216 1,219 6,221 1,222 1,224 1,229 1,232 2,239 2,244 4,246 2,247 2,251 2,264 1,274 1,277 2,279 1,281 298,282 11.232,283 11.232,284 11.232,285 11.232,286 11.232,287 10.402,288 17.214,289 6.463,290 11.504,291 8.766,292 8.766,293 8.766,294 8.766,295 8.766,296 7.37,297 21.78,298 2.962,299 9.147,300 3.633,301 1.76,302 0.636,303 0.5,304 0.5,305 0.5,306 3.555,311 1,312 1,313 256,314 3.162,317 38.114,318 42.078,321 66.881,325 1.135,326 16.702,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 37,338 124,339 4.371,340 3.774,341 6.498,342 4.063,343 3.074,344 3.976,345 2.208,346 10.131,347 3.042,348 3.937,349 3.32,350 5.909,351 3.662,352 2.734,353 3.158,354 0.655,355 8.124,356 2.515,357 3.518,358 2.601,359 5.236,360 3.195,361 2.247,362 2.765,363 0.522,364 6.508,365 2.126,366 3.088,367 2.171,368 4.946,369 2.834,370 1.853,371 2.229,372 0.13,373 5.399,374 1.814,375 2.536,376 2.129,377 4.068,378 2.281,379 1.31,380 1.505,382 3.364,383 1.262,384 2.475,385 1.342,386 3.831,387 2.173,388 1.183,389 1.434,391 2.852,392 1.159,393 1.915,394 0.952,395 3.227,396 1.692,397 0.705,398 0.825,400 1.624,401 0.694,402 1.208,403 0.63,404 2.737,405 1.134,406 0.177,407 0.18,409 0.245,410 0.168,411 1.163,412 0.374,413 2.278,414 0.805,415 -0.168,416 -0.204,418 -0.391,419 -0.16,420 0.623,421 -0.169,422 2,423 0.285,424 -0.685,425 -0.797,427 -1.688,428 -0.657,429 0.577,430 -0.538,431 2,432 0.141,433 -0.858,434 -1.158,436 -2.589,437 -0.855,438 -0.012,439 -0.775,440 1.686,441 -0.21,442 -1.189,443 -1.348,445 -2.827,446 -1.156,447 -0.2,448 -0.97,449 1.36,450 -0.374,451 -1.309,452 -1.429,454 -3.077,455 -1.223,456 -0.46,457 -1.245,458 1.265,459 -0.62,460 -1.57,461 -1.857,463 -4.302,464 -1.499,465 -0.5,466 -1.378,467 1.044,468 -0.729,469 -1.716,470 -1.903,471 -0.4,472 -4.909,473 -1.619,474 7.967,475 0.469,476 0.473,477 0.028,478 18.75,479 1.103,480 8,481 0.471,482 10.75,483 0.632,484 13.285,485 0.781,486 19.633,487 0.561,488 12.222,489 0.719,490 3.623,491 0.213,492 4.49,493 0.264,494 0.218,496 0.364,501 0.83,502 1.415,503 0.898,504 1.23,505 0.739,506 1.087,507 0.579,508 0.941,509 0.832,510 0.92,511 0.467,512 0.905,513 0.969,514 1.173,515 0.966,516 1.161,517 0.747,518 1.072,519 1.658,520 1.115,521 1.221,522 1.108,523 1.622,524 1.108,525 1.525,526 0.78,527 0.956,528 0.741,529 1.524,530 0.764,531 1.657,532 1.125,533 1.287,534 1.081,535 1.31,536 1.131,537 0.579,538 1.162,539 0.953,540 1.209,541 0.929,542 1.157,543 1.347,544 0.894,545 1.292,546 0.914,547 1.791,548 1.064,549 4,551 2.444,552 1.229,553 0.768,554 0.372,555 0.31,556 0.259,557 0.108,558 0.025,559 2181,560 5183,561 1.96,562 51.4,563 2,564 9,567 2,569 5,572 1.568,573 1.789,574 2.899,575 0.411,577 1,578 1,579 1,582 52.361,583 1.496,584 3.369,585 4.493,586 4.629,587 4.629,588 4.629,589 2.278,590 3.852,591 4.061,592 3.009,593 409.159,594 6.86,595 3704.19,597 1,599 1,600 179.525,601 1.549,602 3.989,603 0.222,605 0.098,606 0.051,607 0.043,608 0.025,609 0.024,610 0.022,611 0.013,612 0.008,613 0.506,614 0.83,615 1,616 1.693,617 70.265,618 -0.049,619 -0.116,620 0.038,621 -0.052,622 -0.094,623 0.003,624 0.322,625 0.212,626 0.132,627 0.137,628 0.186,629 0.113,630 -0.044,631 -0.125,632 -0.006,633 -0.128,634 0.022,635 -0.065,636 -0.231,637 -0.177,638 -0.195,639 -0.15,640 -0.172,641 -0.168,642 -0.091,643 0.079,644 0.086,645 0.147,646 -0.08,647 0.142,648 -0.301,649 -0.088,650 -0.275,651 -0.066,652 -0.233,653 -0.158,654 0.183,655 -0.158,656 -0.013,657 -0.208,658 0.145,659 -0.161,660 -0.284,661 0.07,662 -0.307,663 0.004,664 -0.262,665 -0.133,666 2.001,667 4.598,668 0.529,669 10.505,670 0.998,671 1.135,672 1.855,673 3.44,674 0.629,675 2.944,676 3.258,677 3.497,678 3.664,679 3.784,680 3.784,681 3.892,682 3.951,683 3.664,684 3.367,685 4.544,686 0.591,687 234.33,688 2.944,689 4.466,690 5.303,691 6.168,692 7.026,693 7.895,694 8.76,695 9.632,696 10.502,697 11.376,698 5.7,699 1,705 1,715 3,720 3,722 6,737 1,741 35,743 7,744 1,745 18,747 36,748 13,749 6,750 3,751 3,756 2,757 3,763 1,767 3,770 3,772 7,773 6,777 1,782 1,786 1,790 1,793 18,794 4,795 2,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,851 1,859 1,864 2,868 17,869 1,876 3,878 1,880 1,881 1,893 5.7,896 1,898 1,901 9.5,902 6.7,903 3.833,904 2.218,907 1.303,908 1.216,909 0.936,910 3.574,911 7.324,912 3.135,913 3.651,914 4.131,915 4.589,916 5.04,917 5.171,918 5.437,919 5.586,920 5.246,921 4.9,922 0.8,923 24,924 6.293,926 2.6,927 0.026,929 7.794,931 12.069,933 9.724,936 2.294,937 39,938 0.002,941 188.338,942 71.202,943 36.022,945 36.145,948 71.202,949 224.482,950 36.022,951 17.222,952 43.196,953 28.429,954 25.145,955 22.614,956 6.763,957 188.338,959 188.338,960 107.224,961 36.145,964 129.482,965 95,968 52.021,969 55.202,972 188.338,973 72.166,974 71.202,977 188.338,978 25.552,979 48.775,981 69.042,982 188.338,983 72.166,984 71.202,986 0.584,987 0.349,988 0.164,989 0.079,990 12,991 6,992 0.083,993 3,994 1,995 1.222,996 2.888,997 113.566,998 0.222,999 9,1000 69.487,1005 12.242,1006 4.963,1007 2.548,1009 72.166,1010 5.712,1015 2.946,1017 32.897,1018 331.706,1019 22,1024 11.598,1028 -0.334,1031 34.927,1032 39.737,1034 0.292,1035 0.657,1036 0.876,1037 0.902,1038 0.902,1039 0.902,1040 4.376,1041 0.177,1042 5.303,1043 1.624,1044 3.932,1045 4.331,1046 2.372,1047 6.103,1048 3.856,1049 5.558,1050 -0.168,1051 6.87,1052 0.245,1053 3.611,1054 4.182,1055 1.847,1056 7.002,1057 3.489,1058 6.855,1059 -0.685,1060 8.533,1061 -0.391,1062 5.525,1063 6.407,1064 3.532,1065 10.053,1066 5.379,1067 8.186,1068 -0.858,1069 10.25,1070 -1.688,1071 5.994,1072 7.031,1073 3.656,1074 11.751,1075 5.814,1076 9.548,1077 -1.189,1078 11.999,1079 -2.589,1080 7.407,1081 8.796,1082 4.956,1083 14.324,1084 7.21,1085 10.931,1086 -1.309,1087 13.771,1088 -2.827,1089 8.223,1090 9.769,1091 5.37,1092 16.362,1093 8.007,1094 12.329,1095 -1.57,1096 15.56,1097 -3.077,1098 9.444,1099 11.345,1100 6.458,1101 18.764,1102 9.216,1103 3.074,1104 -1.716,1105 17.362,1106 -4.302,1107 10.417,1108 12.497,1109 7.028,1110 20.954,1111 10.179,1112 2.734,1113 10.131,1114 19.174,1115 -4.909,1116 11.563,1117 13.983,1118 7.994,1119 23.293,1120 11.318,1121 2.247,1122 8.124,1123 20.994,1124 3.976,1125 12.607,1126 15.233,1127 8.654,1128 25.55,1129 12.357,1130 1.853,1131 6.508,1132 22.821,1133 3.158,1134 13.726,1135 16.671,1136 9.549,1137 27.869,1138 13.471,1139 1.31,1140 5.399,1141 24.653,1142 2.765,1143 14.804,1144 17.977,1145 10.263,1146 30.156,1147 14.546,1148 1.183,1149 3.364,1150 26.491,1151 2.229,1152 15.915,1153 19.389,1154 11.116,1155 32.468,1156 15.653,1157 0.705,1158 2.852,1159 28.332,1160 1.505,1161 17.009,1162 20.726,1163 11.862,1164 34.769,1165 16.744,1166 2282,1167 3596,1168 11.444,1169 22.012,1170 26.571,1171 27.545,1172 28.539,1173 26.599,1174 26.563,1175 32.145,1176 7.029,1177 76.496,1178 25.558,1179 5.245,1180 5.774,1181 6.041,1182 5.133,1183 5.074,1184 6.976,1185 3.912,1186 16.656,1187 5.042,1188 9.628,1189 1.476,1190 1.53,1191 1.586,1192 1.478,1193 1.476,1194 1.786,1195 0.39,1196 4.25,1197 1.42,1198 4.025,1199 4.053,1200 3.965,1201 3.958,1202 7.433,1203 3.955,1204 3.691,1205 3.754,1206 3.597,1207 3.446,1208 5.035,1209 3.468,1210 3.467,1211 3.523,1212 3.334,1213 3.322,1214 4.742,1215 3.315,1216 3.201,1217 3.28,1218 3.029,1219 2.956,1220 4.277,1221 2.961,1222 3.061,1223 3.159,1224 2.869,1225 2.87,1226 4.112,1227 2.858,1228 2.929,1229 2.983,1230 2.694,1231 2.62,1232 3.751,1233 2.641,1234 2.717,1235 2.815,1236 2.506,1237 2.461,1238 3.698,1239 2.457,1240 2.512,1241 2.586,1242 2.362,1243 2.344,1244 3.51,1245 2.34,1246 0.243,1247 0.21,1248 0.361,1249 0.226,1250 0.171,1251 4.371,1252 0.221,1253 3.774,1254 0.123,1255 6.498,1256 0.563,1257 4.063,1258 0.169,1259 3.074,1260 3.976,1261 2.208,1262 10.131,1263 3.042,1264 1.891,1265 1.874,1266 1.985,1267 1.985,1268 1.175,1269 1.982,1270 1.604,1271 1.53,1272 1.872,1273 1.856,1274 1.143,1275 1.862,1276 1.579,1277 1.513,1278 1.827,1279 1.77,1280 1.038,1281 1.794,1282 1.198,1283 1.133,1284 1.569,1285 1.482,1286 0.623,1287 1.509,1288 1.09,1289 1.013,1290 1.356,1291 1.352,1292 0.469,1293 1.362,1294 0.843,1295 0.793,1296 1.102,1297 1.169,1298 0.164,1299 1.141,1300 0.714,1301 0.657,1302 1.027,1303 0.966,1304 0.132,1305 1.001,1306 0.512,1307 0.372,1308 0.961,1309 0.867,1311 0.904,1312 3.611,1314 4.92,1315 2.398,1316 6.418,1317 4.727,1318 7.999,1319 6.804,1320 9.624,1322 3.612,1326 5.981,1328 2.616,1330 5.272,1332 0.076,1333 1.521,1340 20.687,1341 52.361,1342 117.909,1343 157.26,1344 162.015,1345 162.015,1346 162.015,1347 27.157,1348 6.021,1349 55.56,1350 55.56,1351 11,1352 11.918,1353 3,1354 2.322,1355 28.494,1356 46,1357 45,1358 0.316,1359 130.556,1360 226.86,1361 310.316,1362 2498,1364 12.414,1365 0.73,1366 0.604,1367 12.414,1368 10.272,1369 8.113,1370 0.451,1371 0.329,1372 5.842,1373 7.777,1374 5.647,1375 4.725,1376 8.113,1377 5.928,1378 7.256,1379 0.29,1380 0.176,1381 7.256,1382 4.388,1383 6.201,1384 0.194,1385 0.101,1386 6.201,1387 3.233,1388 4.48,1389 0.118,1390 0.052,1391 4.48,1392 1.984,1393 3.29,1394 0.077,1395 0.028,1396 3.29,1397 1.197,1398 0.482,1399 51.022,1400 0.296,1401 17.052,1402 0.898,1403 86,1404 248.428,1405 95.862,1406 236.326,1407 319.61,1408 220,1409 100,1410 235.008,1411 109.144,1412 236.457,1413 345.26,1414 221,1415 4.721}
{0 CHEMBL545587,1 1.296,2 14.714,3 5.168,4 26.706,5 118.594,6 6.653,7 0.581,8 4.094,9 4.232,10 3.581,11 3.671,12 5.074,13 3.616,14 4.645,15 4.84,16 3.871,17 4.064,18 5.524,19 3.973,20 4.954,21 5.209,22 3.873,23 4.201,24 5.723,25 4.058,26 5.005,27 5.296,28 3.715,29 4.127,30 5.706,31 3.951,32 4.92,33 5.221,34 3.655,35 4.032,36 5.634,37 3.869,38 4.787,39 5.068,40 3.56,41 3.957,42 5.517,43 3.793,44 4.699,45 4.98,46 3.454,47 3.861,48 5.416,49 3.692,50 4.603,51 4.888,52 3.338,53 3.75,54 5.341,55 3.58,56 0.087,57 0.822,58 12.81,59 5.276,60 10.873,61 7.532,62 0.176,63 1.35,64 22.995,65 8.724,66 18.697,67 12.784,68 0.243,69 1.7,70 32.085,71 11.988,72 27.076,73 17.776,74 0.251,75 1.702,76 34.279,77 12.319,78 28.428,79 18.571,80 0.264,81 1.562,82 31.74,83 10.912,84 29.319,85 16.633,86 0.239,87 1.39,88 27.488,89 9.899,90 24.722,91 14.827,92 0.18,93 1.262,94 25.061,95 9.172,96 20.901,97 13.739,98 0.212,99 1.153,100 22.931,101 8.068,102 22.065,103 12.156,105 40,106 0.213,107 0.496,108 0.654,109 0.775,110 0.825,111 0.831,112 3.373,113 0.993,114 -5.95,115 -5.8,116 -5.4,121 42.9,123 3,124 1,127 4,144 12,145 2,148 1,149 1,168 1,176 16,180 6,183 1,185 2,187 16,192 8,195 1,197 2,200 9,206 8,211 2,214 7,219 6,224 1,227 10,232 4,235 1,237 2,239 11,244 2,249 2,251 9,255 1,256 1,261 2,264 6,268 1,269 1,274 2,277 7,281 1296,282 19.637,283 19.637,284 19.637,285 19.637,286 19.637,287 17.474,288 18.133,289 12.14,290 19.886,291 15.37,292 15.37,293 15.37,294 15.37,295 15.37,296 12.309,297 25.729,298 5.853,299 15.762,300 4.512,301 2.788,302 1.827,303 1.09,304 0.786,305 0.75,306 4.08,311 1,312 1,313 908,314 2.646,318 426.529,325 2.429,326 10.401,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 58,338 412,339 4.244,340 3.018,341 6.143,342 3.851,343 2.87,344 3.889,345 0.916,346 9.054,347 2.817,348 3.941,349 2.886,350 5.617,351 3.69,352 2.727,353 3.457,354 0.4,355 7.789,356 2.634,357 3.802,358 2.604,359 5.353,360 3.48,361 2.492,362 3.302,363 0.172,364 6.999,365 2.471,366 3.602,367 2.529,368 5.304,369 3.374,370 2.414,371 2.642,373 6.866,374 2.306,375 3.273,376 2.229,377 4.953,378 3.033,379 2.079,380 2.583,382 5.864,383 1.973,384 3.172,385 1.854,386 4.447,387 2.801,388 1.822,389 2.242,391 4.518,392 1.781,393 2.827,394 1.524,395 3.599,396 2.423,397 1.428,398 1.929,400 3.05,401 1.42,402 2.655,403 1.363,404 3.532,405 2.234,406 1.258,407 1.723,409 2.791,410 1.226,411 2.5,412 1.102,413 3.414,414 2.025,415 1.052,416 1.5,418 2.432,419 1.021,420 2.5,421 1.077,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1,431 3.409,432 2,433 1,434 1.5,436 2.275,437 1,438 2.206,439 1,440 3.247,441 1.984,442 1,443 1.186,445 2.136,446 0.983,447 2,448 1,449 3.247,450 1.983,451 1,452 1,454 2.136,455 0.982,456 1.389,457 0.431,458 2.884,459 1.234,460 0.268,461 0.29,463 0.652,464 0.258,465 1.156,466 0.118,467 2.638,468 0.915,469 -0.058,470 -0.067,472 -0.144,473 -0.057,474 13.6,475 0.486,476 0.393,477 0.014,478 35.75,479 1.277,480 18.5,481 0.661,482 17.25,483 0.616,484 22.659,485 0.809,486 29.6,487 0.529,488 22.689,489 0.81,490 6.895,491 0.246,492 6.97,493 0.249,496 0.213,501 0.825,502 1.215,503 0.899,504 1.071,505 0.73,506 1.005,507 1.181,508 1.178,509 1.077,510 1.102,511 0.811,512 1.085,513 1.042,514 1.103,515 1.051,516 1.079,517 0.826,518 1.068,519 1.095,520 1.041,521 1,522 0.997,523 0.928,524 0.992,525 1.284,526 0.885,527 0.941,528 0.831,529 1.103,530 0.854,531 1.176,532 0.925,533 1.044,534 0.954,535 1.166,536 0.982,537 1.087,538 1.042,539 1.03,540 1.022,541 1.167,542 1.021,543 1.267,544 0.941,545 1.088,546 0.973,547 1.375,548 1.008,549 4,550 0.074,551 2,552 0.75,553 0.667,554 0.5,555 0.441,556 0.151,557 0.127,558 0.114,559 12975,560 26468,561 2.182,562 50,563 1,564 20,567 1,569 6,572 1.699,573 2.154,574 3.827,575 -0.429,582 72.567,583 1.296,584 3.019,585 3.981,586 4.718,587 5.022,588 5.057,589 3.253,590 3.995,591 4.778,592 4.009,593 1515.54,594 8.247,595 22200.1,600 325.212,601 0.75,602 4.784,603 0.129,604 0.004,605 0.05,606 0.02,607 0.022,608 0.017,609 0.016,610 0.006,611 0.006,612 0.006,613 0.275,614 0.33,615 0.88,617 146.695,618 0.181,619 -0.036,620 0.07,621 -0.009,622 0.199,623 0.016,624 -0.028,625 -0.062,626 -0.093,627 -0.093,628 0.082,629 -0.098,630 0.002,631 -0.093,632 -0.067,633 -0.097,634 0.093,635 -0.089,636 -0.033,637 -0.086,638 -0.009,639 -0.041,640 0.048,641 -0.026,642 -0.082,643 0.079,644 0.064,645 0.106,646 -0.029,647 0.098,648 -0.053,649 0.058,650 -0.05,651 0.003,652 -0.134,653 -0.019,654 -0.059,655 -0.076,656 -0.043,657 -0.055,658 -0.139,659 -0.049,660 -0.069,661 0.046,662 -0.088,663 -0.027,664 -0.228,665 -0.054,666 0.804,667 1.345,668 0.857,669 34.898,670 0.982,671 1.125,672 4.719,673 22.268,674 0.664,675 3.466,676 3.714,677 3.932,678 4.127,679 4.344,680 4.263,681 4.369,682 4.419,683 4.466,684 4.533,685 8.504,686 0.614,687 372.56,688 3.466,689 4.963,690 5.778,691 6.608,692 7.433,693 8.267,694 9.096,695 9.931,696 10.762,697 11.598,698 7.1,701 1,703 1,708 2,715 12,716 2,720 4,722 18,734 1,741 56,743 18,744 2,745 31,747 59,748 24,749 16,750 2,751 10,756 4,757 4,767 2,768 1,770 3,772 16,773 8,774 1,793 28,794 4,795 1,796 4,802 4,808 1,821 1,829 4,855 1,859 4,868 28,876 7,877 1,880 1,881 1,901 13,902 9.683,903 6.278,904 3.565,907 2.934,908 1.392,909 0.993,910 6.439,911 10.416,912 3.714,913 4.212,914 4.707,915 5.199,916 5.709,917 5.678,918 6.029,919 6.279,920 6.495,921 6.705,922 0.9,923 38,924 10.351,926 4.271,927 0.026,929 7.393,931 20.659,933 17.106,936 1.893,937 53,940 1,941 317.82,942 141.197,943 54.461,948 141.197,949 317.82,950 54.461,952 16.026,953 113.715,954 51.337,955 12.252,956 2.328,957 317.82,959 317.82,960 195.658,964 247.193,965 70.627,968 21.907,969 122.414,970 51.337,972 317.82,973 54.461,974 141.197,977 317.82,978 27.482,979 116.839,980 18.011,981 33.326,982 317.82,983 54.461,984 141.197,986 0.561,987 0.317,988 0.169,989 0.094,990 18,991 6,992 0.119,993 7,995 1,996 4.365,997 222.454,999 24,1000 122.606,1005 18.801,1006 9.59,1007 5.485,1009 54.461,1010 25.017,1011 8.672,1015 4.294,1017 18.011,1018 513.478,1019 40,1031 55.01,1032 62.976,1034 0.223,1035 0.52,1036 0.685,1037 0.812,1038 0.865,1039 0.871,1040 4.902,1041 1.258,1042 5.694,1043 3.05,1044 4.394,1045 4.898,1046 1.038,1047 6.382,1048 4.345,1049 6.032,1050 1.052,1051 7.165,1052 2.791,1053 3.611,1054 4.205,1055 0.325,1056 6.986,1057 3.516,1058 7.272,1059 1,1060 8.731,1061 2.432,1062 5.866,1063 6.919,1064 0.697,1065 10.04,1066 5.765,1067 8.541,1068 1,1069 10.355,1070 2.275,1071 5.943,1072 7.072,1073 0.393,1074 11.512,1075 5.798,1076 9.843,1077 1,1078 12.019,1079 2.275,1080 7.58,1081 9.212,1082 0.537,1083 14.008,1084 7.43,1085 11.167,1086 1,1087 13.71,1088 2.136,1089 8.086,1090 9.808,1091 0.384,1092 15.852,1093 7.899,1094 12.509,1095 0.268,1096 15.42,1097 2.136,1098 9.423,1099 11.645,1100 0.438,1101 18.144,1102 9.226,1103 2.87,1104 -0.058,1105 17.144,1106 0.652,1107 10.163,1108 12.506,1109 0.351,1110 20.163,1111 9.935,1112 2.727,1113 9.054,1114 18.879,1115 -0.144,1116 11.345,1117 14.16,1118 0.366,1119 22.379,1120 11.104,1121 2.492,1122 7.789,1123 20.624,1124 3.889,1125 12.215,1126 15.191,1127 0.312,1128 24.484,1129 11.948,1130 2.414,1131 6.999,1132 22.375,1133 3.457,1134 13.319,1135 16.729,1136 0.309,1137 26.675,1138 13.036,1139 2.079,1140 6.866,1141 24.133,1142 3.302,1143 14.262,1144 17.872,1145 0.273,1146 28.823,1147 13.954,1148 1.822,1149 5.864,1150 25.897,1151 2.642,1152 15.327,1153 19.337,1154 0.262,1155 31.009,1156 15.002,1157 1.428,1158 4.518,1159 27.665,1160 2.583,1161 16.31,1162 20.554,1163 0.236,1164 33.179,1165 15.963,1166 11983,1167 17254,1168 21.841,1169 37.16,1170 45.092,1171 44.876,1172 44.982,1173 44.856,1174 44.819,1175 57.486,1176 2.978,1177 117.672,1178 43.742,1179 5.244,1180 5.018,1181 5.945,1182 4.893,1183 4.87,1184 6.889,1185 1.605,1186 15.117,1187 4.817,1189 1.455,1190 1.448,1191 1.451,1192 1.447,1193 1.446,1194 1.854,1195 0.096,1196 3.796,1197 1.411,1198 3.997,1199 4.043,1200 3.935,1201 3.908,1202 5.054,1203 3.907,1204 3.936,1205 3.977,1206 3.859,1207 3.859,1208 4.756,1209 3.854,1210 3.829,1211 3.876,1212 3.719,1213 3.727,1214 4.702,1215 3.717,1216 3.72,1217 3.773,1218 3.646,1219 3.586,1220 4.335,1221 3.595,1222 3.447,1223 3.526,1224 3.301,1225 3.264,1226 4.128,1227 3.261,1228 3.169,1229 3.25,1230 3.023,1231 3.005,1232 3.885,1233 2.998,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.809,1239 2.91,1240 2.94,1241 3.006,1242 2.812,1243 2.826,1244 3.674,1245 2.817,1246 0.137,1247 0.097,1248 0.198,1249 0.124,1250 0.093,1251 4.244,1252 0.125,1253 3.018,1254 0.03,1255 6.143,1256 0.292,1257 3.851,1258 0.091,1259 2.87,1260 3.889,1261 0.916,1262 9.054,1263 2.817,1264 1.943,1265 1.913,1266 2.101,1267 2.073,1268 1.481,1269 2.085,1270 1.932,1271 1.895,1272 2.044,1273 2.038,1274 1.165,1275 2.039,1276 1.84,1277 1.79,1278 2.013,1279 1.954,1280 1.115,1281 1.976,1282 1.683,1283 1.636,1284 1.822,1285 1.85,1286 1.005,1287 1.848,1288 1.432,1289 1.357,1290 1.681,1291 1.644,1292 0.825,1293 1.662,1294 1.166,1295 1.093,1296 1.513,1297 1.383,1298 0.795,1299 1.429,1300 1.153,1301 1.064,1302 1.449,1303 1.376,1304 0.671,1305 1.409,1306 0.942,1307 0.888,1308 1.195,1309 1.131,1310 0.409,1311 1.159,1312 4.143,1314 5.407,1316 6.87,1318 8.412,1320 9.992,1328 8.204,1329 3.434,1332 0.802,1333 2.576,1340 34.407,1341 72.567,1342 169.06,1343 222.908,1344 264.192,1345 281.212,1346 283.212,1347 35.001,1348 7.482,1349 41.05,1350 41.05,1351 24,1352 12.167,1353 4.248,1354 3.322,1355 42.999,1356 146,1357 122,1358 0.14,1359 212.244,1360 361.86,1361 509.635,1362 21409,1364 19.02,1365 0.679,1366 0.582,1367 19.02,1368 16.297,1369 13.865,1370 0.447,1371 0.331,1372 10.18,1373 13.56,1374 9.961,1375 8.286,1376 13.865,1377 10.26,1378 11.736,1379 0.293,1380 0.19,1381 11.736,1382 7.59,1383 9.79,1384 0.196,1385 0.111,1386 9.79,1387 5.549,1388 7.899,1389 0.129,1390 0.063,1391 7.899,1392 3.869,1393 6.518,1394 0.086,1395 0.037,1396 6.518,1397 2.805,1398 0.234,1399 85.167,1400 0.214,1401 27.989,1402 0.349,1403 142,1404 313.268,1405 149.299,1406 316.668,1407 445.62,1408 300,1409 161,1410 336.265,1411 169.271,1412 345.2,1413 495.26,1414 326,1415 6.854}
{0 CHEMBL54577,1 1.365,2 15,3 7.026,4 49.363,5 141.732,6 6.71,7 0.462,8 4.322,9 4.449,10 3.813,11 3.882,12 5.315,13 3.837,14 4.899,15 5.087,16 4.212,17 4.317,18 5.85,19 4.249,20 5.187,21 5.393,22 4.287,23 4.514,24 6.055,25 4.41,26 5.357,27 5.612,28 4.215,29 4.543,30 6.186,31 4.401,32 5.347,33 5.609,34 4.113,35 4.458,36 6.195,37 4.303,38 5.249,39 5.532,40 4.033,41 4.323,42 6.04,43 4.182,44 5.035,45 5.269,46 4.071,47 4.274,48 5.948,49 4.171,50 5.075,51 5.301,52 4.04,53 4.279,54 6.093,55 4.17,56 0.063,57 0.984,58 16.033,59 6.798,60 11.941,61 9.407,62 0.43,63 1.672,64 29.993,65 11.457,66 38.75,67 16.335,68 0.271,69 2.151,70 40.111,71 15.529,72 35.394,73 22.074,74 0.377,75 2.432,76 48.695,77 17.826,78 52.322,79 25.941,80 0.447,81 2.283,82 48.789,83 18.025,84 61.924,85 25.734,86 0.499,87 2.005,88 44.979,89 16.031,90 54.587,91 22.893,92 0.384,93 1.757,94 35.355,95 12.951,96 39.673,97 18.335,98 0.455,99 1.781,100 37.155,101 13.421,102 63.182,103 18.611,104 27,105 57,106 0.214,107 0.517,108 0.718,109 0.824,110 0.845,111 0.845,112 3.588,113 0.969,114 -6.15,115 -5.99,116 -5.57,121 42.9,122 3,123 2,124 1,125 1,126 1,127 2,130 1,144 12,145 3,146 3,161 1,176 19,179 2,180 8,183 2,185 2,187 23,192 9,197 2,200 18,206 12,211 3,214 10,218 1,219 12,224 3,227 6,231 1,232 6,237 3,239 12,243 1,244 6,247 1,249 2,251 19,255 1,256 6,259 1,264 19,269 3,277 18,281 2421,282 23.479,283 23.479,284 23.479,285 23.479,286 23.479,287 21.213,288 33.035,289 13.597,290 23.843,291 19.227,292 19.227,293 19.227,294 19.227,295 19.227,296 15.771,297 41.976,298 6.452,299 19.822,300 4.764,301 2.824,302 1.54,303 0.865,304 0.729,305 0.729,306 4.292,312 1,313 1149,314 4.183,317 144.885,318 321.991,320 117.504,321 128.22,324 177.757,325 2.571,326 21.809,329 0.75,330 0.67,331 1,332 1,333 0.5,334 1,335 1,336 0.85,337 73.5,338 525,339 4.835,340 3.977,341 8.009,342 4.717,343 3.74,344 4.207,345 2.186,346 15.335,347 3.659,348 4.126,349 3.675,350 6.257,351 3.792,352 2.805,353 3.691,354 0.966,355 8.957,356 2.777,357 3.988,358 2.993,359 6.175,360 3.659,361 2.703,362 3.447,363 0.693,364 8.653,365 2.583,366 3.897,367 2.899,368 5.931,369 3.537,370 2.556,371 3.321,372 0.366,373 8.249,374 2.516,375 3.751,376 2.747,377 5.546,378 3.463,379 2.499,380 3.001,382 7.508,383 2.396,384 3.557,385 2.691,386 5.358,387 3.364,388 2.415,389 2.789,391 6.982,392 2.275,393 3.462,394 2.538,395 5.294,396 3.208,397 2.262,398 2.542,400 6.775,401 2.126,402 3.256,403 2.418,404 4.976,405 2.859,406 1.879,407 2.416,409 5.244,410 1.822,411 2.932,412 1.817,413 4.611,414 2.559,415 1.581,416 2.095,418 4.668,419 1.546,420 2.686,421 1.567,422 4.222,423 2.416,424 1.441,425 1.713,427 3.134,428 1.397,429 2.519,430 1.314,431 3.77,432 2.223,433 1.228,434 1.525,436 3.06,437 1.22,438 2.5,439 1.183,440 3.721,441 2.133,442 1.139,443 1.5,445 2.909,446 1.131,447 2.5,448 1,449 3.641,450 2,451 1,452 1.5,454 2.275,455 1,456 2.451,457 1,458 3.414,459 2,460 1,461 1.439,463 2.136,464 1,465 1.876,466 0.943,467 3.247,468 1.777,469 0.799,470 0.848,472 1.924,473 0.78,474 16.867,475 0.482,476 0.997,477 0.028,478 43.25,479 1.236,480 21,481 0.6,482 22.25,483 0.636,484 35.488,485 1.014,486 37.733,487 0.539,488 33.448,489 0.956,490 8.048,491 0.23,492 8.799,493 0.251,494 0.138,495 0.03,496 0.314,501 0.807,502 1.323,503 0.88,504 1.121,505 0.664,506 1.022,507 0.702,508 0.98,509 0.871,510 0.903,511 0.426,512 0.894,513 1.023,514 1.261,515 1.076,516 1.16,517 0.735,518 1.127,519 0.992,520 1.086,521 1.068,522 1.077,523 0.692,524 1.068,525 1.138,526 1.092,527 1.044,528 1.095,529 1.204,530 1.068,531 1.323,532 0.818,533 0.851,534 0.777,535 1.142,536 0.775,537 1.238,538 0.955,539 0.972,540 0.935,541 1.133,542 0.926,543 1.649,544 0.984,545 1.138,546 1.013,547 2.134,548 1.028,549 8,550 0.19,551 4.667,552 3.708,553 2.024,554 1.281,555 0.861,556 0.701,557 0.464,558 0.356,559 19992,560 40603,561 2.099,562 50,563 10,564 19,565 1,567 1,569 4,572 1.764,573 1.953,574 3.805,575 -0.458,582 95.563,583 1.365,584 3.306,585 4.589,586 5.265,587 5.4,588 5.4,589 3.365,590 4.672,591 5.091,592 4.021,593 2392.56,594 8.928,595 38150.4,600 429.05,601 1.566,602 5.051,603 0.205,604 0.006,605 0.082,606 0.063,607 0.039,608 0.028,609 0.02,610 0.015,611 0.011,612 0.01,613 0.478,614 0.33,615 0.63,616 0.694,617 191.524,618 0.019,619 -0.14,620 0.072,621 -0.039,622 -0.042,623 0.011,624 0.304,625 0.154,626 0.113,627 0.11,628 0.239,629 0.096,630 -0.064,631 -0.188,632 -0.101,633 -0.147,634 -0.021,635 -0.132,636 -0.054,637 -0.062,638 -0.082,639 -0.108,640 0.062,641 -0.094,642 0.016,643 -0.132,644 -0.043,645 -0.124,646 -0.012,647 -0.095,648 0.007,649 0.105,650 0.172,651 0.175,652 -0.017,653 0.186,654 0.022,655 0.073,656 0.039,657 0.043,658 -0.008,659 0.043,660 -0.081,661 0.026,662 -0.106,663 -0.039,664 -0.117,665 -0.07,666 2.133,667 5.593,668 0.686,669 49.006,670 0.987,671 1.122,672 4.919,673 24.197,674 0.659,675 3.689,676 4.06,677 4.369,678 4.682,679 4.913,680 5.024,681 5.231,682 5.366,683 5.451,684 5.591,685 8.479,686 0.613,687 469.68,688 3.689,689 5.263,690 6.138,691 7.048,692 7.948,693 8.871,694 9.786,695 10.719,696 11.646,697 12.587,698 4.3,701 1,704 1,705 1,715 12,720 6,722 18,736 1,737 1,741 70,743 19,744 3,745 39,747 74,748 30,749 18,750 6,751 12,756 5,757 8,763 3,764 1,766 1,767 1,770 2,772 19,773 11,774 1,777 1,782 1,786 1,793 35,794 5,795 1,796 5,802 3,808 0.6,809 2,825 1,828 2,829 3,831 1,832 1,835 1,855 1,859 3,864 4,868 35,876 4,877 1,878 1,880 2,881 2,882 1,893 2.9,896 1,898 1,901 17.917,902 13.65,903 7.514,904 4.403,907 3.002,908 1.349,909 0.972,910 6.608,911 11.608,912 3.912,913 4.483,914 5.006,915 5.539,916 6.032,917 6.157,918 6.492,919 6.754,920 6.933,921 7.241,922 1,923 59,924 12.996,926 5.553,927 0.026,929 7.517,931 25.588,933 21.797,936 2.017,937 70.583,941 400.217,942 184.944,943 24.259,945 36.145,948 184.944,949 436.362,950 24.259,951 34.872,952 27.291,953 113.715,954 25.145,955 37.562,956 18.534,957 388.446,959 400.217,960 209.203,961 36.145,964 353.133,965 83.229,968 56.891,969 152.312,972 400.217,973 60.404,974 184.944,977 400.217,978 36.357,979 154.836,980 18.011,981 36.145,982 400.217,983 60.404,984 184.944,986 0.593,987 0.349,988 0.188,989 0.101,990 29,991 13,992 0.095,993 7,994 2,995 1.167,996 4.597,997 338.088,998 0.167,999 24,1000 169.525,1005 23.902,1006 9.676,1007 4.698,1009 60.404,1010 24.666,1015 6.414,1017 18.011,1018 645.565,1019 49,1024 12.593,1028 -0.466,1031 69.098,1032 78.557,1034 0.223,1035 0.539,1036 0.749,1037 0.859,1038 0.881,1039 0.881,1040 5.19,1041 1.879,1042 6.163,1043 6.775,1044 4.745,1045 5.17,1046 2.466,1047 7.062,1048 4.685,1049 6.397,1050 1.581,1051 7.781,1052 5.244,1053 4.511,1054 4.956,1055 1.905,1056 8.346,1057 4.424,1058 7.716,1059 1.441,1060 9.517,1061 4.668,1062 6.447,1063 7.274,1064 3.531,1065 11.503,1066 6.332,1067 9.071,1068 1.228,1069 11.332,1070 3.134,1071 7.066,1072 7.826,1073 3.612,1074 13.745,1075 6.932,1076 10.463,1077 1.139,1078 13.204,1079 3.06,1080 8.53,1081 9.669,1082 4.913,1083 16.56,1084 8.374,1085 11.882,1086 1,1087 15.12,1088 2.909,1089 9.54,1090 10.591,1091 5.293,1092 19.147,1093 9.368,1094 13.325,1095 1,1096 17.072,1097 2.275,1098 10.865,1099 12.225,1100 6.388,1101 21.894,1102 10.673,1103 3.74,1104 0.799,1105 19.053,1106 2.136,1107 12.051,1108 13.353,1109 6.931,1110 24.583,1111 11.841,1112 2.805,1113 15.335,1114 21.056,1115 1.924,1116 13.348,1117 14.882,1118 7.902,1119 27.317,1120 13.119,1121 2.703,1122 8.957,1123 23.077,1124 4.207,1125 14.609,1126 16.131,1127 8.539,1128 30.035,1129 14.361,1130 2.556,1131 8.653,1132 25.112,1133 3.691,1134 15.908,1135 17.605,1136 9.436,1137 32.766,1138 15.64,1139 2.499,1140 8.249,1141 27.158,1142 3.447,1143 17.201,1144 18.927,1145 10.13,1146 35.493,1147 16.912,1148 2.415,1149 7.508,1150 29.212,1151 3.321,1152 18.508,1153 20.375,1154 10.981,1155 38.223,1156 18.198,1157 2.262,1158 6.982,1159 31.272,1160 3.001,1161 19.815,1162 21.74,1163 11.71,1164 40.952,1165 19.483,1166 18740,1167 26881,1168 25.948,1169 46.108,1170 59.807,1171 60.557,1172 61.528,1173 59.312,1174 59.338,1175 73.422,1176 8.422,1177 178.759,1178 57.644,1179 5.801,1180 5.977,1181 7.811,1182 5.809,1183 5.74,1184 7.207,1185 3.889,1186 23.869,1187 5.659,1188 17.995,1189 1.534,1190 1.553,1191 1.578,1192 1.521,1193 1.521,1194 1.883,1195 0.216,1196 4.584,1197 1.478,1198 4.103,1199 4.142,1200 4.048,1201 4.006,1202 7.435,1203 4.011,1204 3.948,1205 3.982,1206 3.882,1207 3.882,1208 4.848,1209 3.877,1210 3.909,1211 3.94,1212 3.833,1213 3.851,1214 4.749,1215 3.843,1216 3.702,1217 3.742,1218 3.622,1219 3.567,1220 4.738,1221 3.571,1222 3.543,1223 3.607,1224 3.424,1225 3.389,1226 4.431,1227 3.379,1228 3.383,1229 3.444,1230 3.253,1231 3.23,1232 4.177,1233 3.217,1234 3.332,1235 3.407,1236 3.176,1237 3.094,1238 4.097,1239 3.117,1240 3.238,1241 3.294,1242 3.086,1243 2.965,1244 3.915,1245 2.998,1246 0.124,1247 0.102,1248 0.205,1249 0.121,1250 0.096,1251 4.835,1252 0.108,1253 3.977,1254 0.056,1255 8.009,1256 0.393,1257 4.717,1258 0.094,1259 3.74,1260 4.207,1261 2.186,1262 15.335,1263 3.659,1264 1.94,1265 1.911,1266 2.069,1267 2.037,1268 1.31,1269 2.046,1270 1.921,1271 1.89,1272 2.058,1273 2.013,1274 1.26,1275 2.03,1276 1.901,1277 1.881,1278 2.003,1279 1.984,1280 1.252,1281 1.99,1282 1.635,1283 1.579,1284 1.832,1285 1.826,1286 1.043,1287 1.83,1288 1.561,1289 1.492,1290 1.798,1291 1.761,1292 1.009,1293 1.778,1294 1.539,1295 1.473,1296 1.787,1297 1.727,1298 0.909,1299 1.752,1300 1.294,1301 1.224,1302 1.6,1303 1.546,1304 0.786,1305 1.559,1306 1.174,1307 1.121,1308 1.515,1309 1.44,1310 0.633,1311 1.442,1312 4.369,1314 5.727,1315 3.045,1316 7.277,1317 5.638,1318 8.92,1319 7.928,1320 10.622,1322 8.839,1328 4.228,1329 2.848,1330 5.7,1332 0.764,1333 4.995,1334 0.003,1340 42.923,1341 95.563,1342 231.393,1343 321.236,1344 368.52,1345 378.03,1346 378.03,1347 56.572,1348 8.606,1349 44.81,1350 44.81,1351 28,1352 13.085,1353 4.322,1354 3.459,1355 52.481,1356 175,1357 189,1358 0.144,1359 260.675,1360 457.24,1361 627.807,1362 75907,1364 24.579,1365 0.702,1366 0.603,1367 24.579,1368 21.122,1369 16.847,1370 0.432,1371 0.323,1372 12.472,1373 16.4,1374 12.005,1375 10.016,1376 16.847,1377 12.591,1378 15.822,1379 0.278,1380 0.182,1381 15.822,1382 10.394,1383 13.4,1384 0.172,1385 0.099,1386 13.4,1387 7.729,1388 11.567,1389 0.108,1390 0.054,1391 11.567,1392 5.805,1393 9.216,1394 0.068,1395 0.03,1396 9.216,1397 4.032,1398 0.232,1399 104.082,1400 0.196,1401 32.665,1402 0.382,1403 192,1404 445.094,1405 205.692,1406 437.801,1407 615.72,1408 412,1409 231,1410 470.444,1411 244.975,1412 480.899,1413 707.97,1414 452,1415 4.523}
{0 CHEMBL545797,1 1.436,2 8.571,3 3.974,4 15.79,5 84.112,6 6.661,7 0.273,8 3.821,9 3.95,10 3.29,11 3.314,12 4.879,13 3.277,14 4.386,15 4.598,16 3.622,17 3.684,18 5.375,19 3.624,20 4.584,21 4.789,22 3.685,23 3.855,24 5.546,25 3.766,26 4.755,27 4.989,28 3.63,29 3.91,30 5.706,31 3.795,32 4.703,33 4.952,34 3.572,35 3.89,36 5.633,37 3.747,38 4.621,39 4.871,40 3.4,41 3.774,42 5.557,43 3.619,44 4.514,45 4.789,46 3.244,47 3.546,48 5.446,49 3.392,50 4.226,51 4.477,52 3.003,53 3.267,54 5.23,55 3.146,56 0.023,57 0.597,58 9.864,59 3.97,60 8.685,61 5.578,62 0.371,63 0.949,64 18.579,65 6.074,66 27.242,67 9.061,68 0.151,69 1.115,70 22.245,71 8.242,72 25.326,73 11.703,74 0.353,75 1.206,76 27.304,77 9.443,78 51.787,79 13.275,80 0.236,81 1.183,82 25.283,83 9.577,84 36.179,85 13.766,86 0.197,87 1.064,88 23.375,89 8.76,90 37.882,91 12.521,92 0.282,93 0.901,94 21.486,95 7.391,96 36.549,97 10.702,98 0.217,99 0.687,100 16.221,101 4.988,102 35.611,103 7.306,104 43,105 30,106 0.254,107 0.596,108 0.817,109 0.837,110 0.837,111 0.837,112 3.103,113 0.99,114 -4.01,115 -3.96,116 -3.75,121 39.5,122 1,123 2,126 2,127 2,129 1,142 1,143 1,144 3,145 2,146 1,161 1,176 7,179 3,180 6,187 8,192 6,200 6,206 6,214 6,218 1,219 7,227 9,232 2,239 5,243 2,244 6,251 3,256 1,264 1,269 4,281 574,282 14.016,283 14.016,284 14.016,285 14.016,286 14.016,287 12.979,288 21.006,289 8.276,290 14.378,291 10.726,292 10.726,293 10.726,294 10.726,295 10.726,296 9.007,297 25.337,298 3.719,299 11.25,300 3.991,301 2.06,302 0.814,303 0.704,304 0.704,305 0.704,306 3.758,310 1,311 1,312 1,313 361,314 3.873,317 48.141,318 54.569,321 86.255,325 1.361,326 17.263,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 45,338 180,339 4.413,340 3.764,341 6.717,342 4.146,343 3.168,344 3.99,345 2.208,346 10.934,347 3.102,348 3.932,349 3.476,350 5.834,351 3.642,352 2.718,353 3.158,354 1.102,355 8.015,356 2.495,357 3.689,358 2.87,359 5.721,360 3.413,361 2.466,362 2.817,363 0.655,364 7.542,365 2.328,366 3.475,367 2.545,368 5.169,369 3.081,370 2.131,371 2.582,372 0.461,373 6.223,374 2.017,375 3.301,376 2.156,377 4.599,378 2.577,379 1.591,380 2.054,381 0.13,382 4.458,383 1.566,384 2.81,385 1.977,386 3.993,387 2.213,388 1.228,389 1.683,391 3.12,392 1.207,393 2.336,394 1.663,395 3.531,396 2.047,397 1.08,398 1.261,400 2.399,401 1.038,402 2.252,403 1.239,404 3.235,405 1.974,406 1,407 1.165,409 1.763,410 0.96,411 1.839,412 0.897,413 3.042,414 1.614,415 0.625,416 0.726,418 1.368,419 0.616,420 1.441,421 0.593,422 2.543,423 1.102,424 0.127,425 0.15,427 0.176,428 0.123,429 1.141,430 0.257,431 2.431,432 0.745,433 -0.222,434 -0.279,436 -0.535,437 -0.21,438 0.663,439 -0.268,440 2.142,441 0.252,442 -0.726,443 -0.976,445 -1.254,446 -0.705,447 0.581,448 -0.469,449 2,450 0.141,451 -0.858,452 -1,454 -2,455 -0.854,456 0.325,457 -0.6,458 1.765,459 -0.009,460 -1,461 -1.158,463 -2.266,464 -0.9,466 -0.78,467 1.618,468 -0.1,469 -1,470 -1.259,472 -2.692,473 -0.983,474 9.967,475 0.475,476 0.524,477 0.025,478 23.25,479 1.107,480 10,481 0.476,482 13.25,483 0.631,484 18.071,485 0.861,486 23.633,487 0.55,488 16.767,489 0.798,490 4.685,491 0.223,492 5.377,493 0.256,494 0.234,496 0.331,501 0.776,502 1.565,503 0.887,504 1.294,505 0.622,506 1.131,507 0.779,508 0.862,509 0.882,510 0.795,511 0.44,512 0.82,513 1.006,514 1.228,515 1.029,516 1.197,517 0.69,518 1.124,519 1.515,520 0.92,521 1.117,522 0.922,523 1.38,524 0.969,525 0.721,526 1.045,527 0.962,528 1.089,529 0.859,530 1.066,531 0.913,532 1.094,533 1.051,534 1.138,535 0.98,536 1.123,537 0.964,538 0.941,539 0.926,540 0.983,541 1.01,542 0.964,543 1.617,544 1.048,545 1.163,546 0.978,547 1.659,548 1.007,549 4.5,550 0.033,551 2.667,552 1.382,553 1.178,554 0.643,555 0.487,556 0.377,557 0.231,558 0.1,559 3705,560 9303,561 1.941,562 51.2,563 2,564 14,565 1,569 5,572 1.635,573 1.775,574 3.117,575 -0.797,577 1,582 61.735,583 1.436,584 3.367,585 4.612,586 4.722,587 4.722,588 4.722,589 2.529,590 4.011,591 4.36,592 3.235,593 679.326,594 7.49,595 7183.27,597 1,599 1,600 233.329,601 1.545,602 4.294,603 0.205,604 0.006,605 0.089,606 0.045,607 0.041,608 0.024,609 0.022,610 0.021,611 0.017,612 0.011,613 0.479,614 0.67,615 1,616 1.749,617 94.334,618 0.02,619 -0.325,620 0.062,621 -0.158,622 -0.013,623 -0.063,624 0.27,625 0.291,626 0.118,627 0.188,628 0.174,629 0.149,630 -0.047,631 -0.155,632 -0.06,633 -0.158,634 0.04,635 -0.115,636 -0.212,637 0.051,638 -0.108,639 0.064,640 -0.15,642 0.051,643 -0.061,644 -0.016,645 -0.072,646 -0.017,647 -0.057,648 -0.055,649 -0.134,650 -0.098,651 -0.127,652 -0.126,653 -0.121,654 0.092,655 -0.033,656 0.061,657 -0.033,658 -0.014,659 -0.002,660 -0.207,661 -0.091,662 -0.132,663 -0.054,664 -0.134,665 -0.08,666 2.027,667 4.653,668 0.429,669 16.762,670 0.993,671 1.129,672 2.781,673 7.735,674 0.64,675 3.135,676 3.434,677 3.689,678 3.912,679 4.094,680 4.174,681 4.29,682 4.369,683 4.22,684 4.094,685 5.21,686 0.599,687 286.41,688 3.135,689 4.654,690 5.493,691 6.365,692 7.233,693 8.115,694 8.995,695 9.882,696 10.768,697 11.658,698 4.7,701 1,705 1,715 3,720 3,722 6,737 1,741 43,743 8,744 1,745 22,747 44,748 17,749 6,750 3,751 3,756 2,757 3,763 1,767 3,770 3,771 2,772 7,773 8,777 1,782 1,786 1,790 1,793 22,794 4,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,836 1,837 1,855 1,859 1,864 3,868 21,876 4,878 1,880 1,881 2,885 1,886 1,891 1,893 4.7,896 1,898 1,901 11.833,902 8.65,903 4.861,904 2.682,907 1.458,908 1.225,909 0.92,910 5.139,911 7.947,912 3.367,913 3.818,914 4.266,915 4.739,916 5.217,917 5.421,918 5.727,919 5.99,920 5.871,921 5.897,922 0.833,923 31,924 7.751,926 3.122,927 0.026,929 7.738,931 14.932,933 11.814,936 2.238,937 47,938 0.001,941 258.964,942 122.056,943 6.249,945 36.145,948 122.056,949 295.109,950 6.249,951 25.618,952 12.405,953 28.429,954 25.145,955 25.739,956 58.885,957 247.193,959 258.964,960 128.305,961 36.145,964 200.109,965 95,968 24.354,969 86.92,970 17.031,972 258.964,973 42.393,974 122.056,977 258.964,978 27.658,979 60.295,980 17.031,981 59.466,982 258.964,983 42.393,984 122.056,986 0.57,987 0.34,988 0.175,989 0.096,990 13,991 7,992 0.114,993 5,994 1,995 1.222,996 3.203,997 154.069,998 0.222,999 9,1000 90.239,1005 15.721,1006 6.864,1007 3.511,1009 42.393,1010 5.894,1015 3.146,1018 423.414,1019 28,1024 11.653,1028 -0.361,1031 42.694,1032 48.567,1034 0.265,1035 0.62,1036 0.85,1037 0.87,1038 0.87,1039 0.87,1040 4.62,1041 1,1042 5.485,1043 2.399,1044 4.111,1045 4.5,1046 2.554,1047 6.301,1048 4.024,1049 5.803,1050 0.625,1051 7.055,1052 1.763,1053 3.761,1054 4.27,1055 1.905,1056 7.252,1057 3.614,1058 7.095,1059 0.127,1060 8.727,1061 1.368,1062 5.707,1063 6.522,1064 3.596,1065 10.335,1066 5.535,1067 8.418,1068 -0.222,1069 10.457,1070 0.176,1071 6.176,1072 7.1,1073 3.678,1074 12.113,1075 5.958,1076 9.769,1077 -0.726,1078 12.223,1079 -0.535,1080 7.606,1081 8.869,1082 4.973,1083 14.728,1084 7.368,1085 11.141,1086 -0.858,1087 14.015,1088 -1.254,1089 8.435,1090 9.822,1091 5.376,1092 16.855,1093 8.169,1094 12.529,1095 -1,1096 15.824,1097 -2,1098 9.672,1099 11.397,1100 6.462,1101 19.317,1102 9.389,1103 3.168,1104 -1,1105 17.648,1106 -2.266,1107 10.666,1108 12.543,1109 7.03,1110 21.595,1111 10.364,1112 2.718,1113 10.934,1114 19.484,1115 -2.692,1116 11.831,1117 14.027,1118 7.995,1119 24.007,1120 11.515,1121 2.466,1122 8.015,1123 21.329,1124 3.99,1125 12.901,1126 15.277,1127 8.655,1128 26.349,1129 12.571,1130 2.131,1131 7.542,1132 23.182,1133 3.158,1134 14.044,1135 16.715,1136 9.55,1137 28.745,1138 13.701,1139 1.591,1140 6.223,1141 25.042,1142 2.817,1143 15.15,1144 18.023,1145 10.263,1146 31.115,1147 14.795,1148 1.228,1149 4.458,1150 26.908,1151 2.582,1152 16.288,1153 19.437,1154 11.116,1155 33.507,1156 15.919,1157 1.08,1158 3.12,1159 28.78,1160 2.054,1161 17.413,1162 20.777,1163 11.862,1164 35.889,1165 17.031,1166 3909,1167 6277,1168 13.929,1169 27.534,1170 33.522,1171 33.851,1172 34.59,1173 32.346,1174 32.267,1175 39.175,1176 9.111,1177 91.995,1178 30.906,1179 5.319,1180 5.764,1181 6.492,1182 5.206,1183 5.168,1184 6.99,1185 3.912,1186 18.045,1187 5.102,1188 12.807,1189 1.524,1190 1.539,1191 1.572,1192 1.47,1193 1.467,1194 1.781,1195 0.414,1196 4.182,1197 1.405,1198 4.04,1199 4.07,1200 3.979,1201 3.968,1202 7.433,1203 3.966,1204 3.681,1205 3.736,1206 3.596,1207 3.509,1208 5.43,1209 3.515,1210 3.613,1211 3.682,1212 3.506,1213 3.36,1214 4.808,1215 3.389,1216 3.38,1217 3.44,1218 3.247,1219 3.253,1220 4.336,1221 3.245,1222 3.33,1223 3.401,1224 3.143,1225 3.189,1226 4.195,1227 3.166,1228 3.012,1229 3.054,1230 2.869,1231 2.845,1232 4.062,1233 2.836,1234 2.909,1235 3.009,1236 2.753,1237 2.618,1238 3.791,1239 2.659,1240 2.874,1241 2.951,1242 2.499,1243 2.618,1244 3.522,1245 2.57,1246 0.201,1247 0.171,1248 0.305,1249 0.188,1250 0.144,1251 4.413,1252 0.181,1253 3.764,1254 0.1,1255 6.717,1256 0.497,1257 4.146,1258 0.141,1259 3.168,1260 3.99,1261 2.208,1262 10.934,1263 3.102,1264 1.897,1265 1.878,1266 1.993,1267 1.996,1268 1.248,1269 1.994,1270 1.697,1271 1.634,1272 1.913,1273 1.888,1274 1.175,1275 1.898,1276 1.518,1277 1.446,1278 1.784,1279 1.807,1280 0.968,1281 1.802,1282 1.447,1283 1.385,1284 1.737,1285 1.626,1286 0.834,1287 1.668,1288 1.362,1289 1.293,1290 1.616,1291 1.524,1292 0.675,1293 1.561,1294 1.047,1295 1.008,1296 1.417,1297 1.277,1298 0.469,1299 1.308,1300 0.934,1301 0.804,1302 1.265,1303 1.239,1304 0.441,1305 1.257,1306 0.835,1307 0.79,1308 1.092,1309 1.104,1310 0.161,1311 1.099,1312 3.807,1314 5.106,1315 2.398,1316 6.6,1317 4.727,1318 8.186,1319 6.843,1320 9.823,1322 5.458,1328 3.664,1330 5.351,1332 0.319,1333 3.699,1337 5.455,1339 2.722,1340 25.74,1341 61.735,1342 144.761,1343 198.31,1344 203.065,1345 203.065,1346 203.065,1347 36.567,1348 6.489,1349 32.78,1350 32.78,1351 11,1352 12.188,1353 3.17,1354 2.807,1355 39.131,1356 64,1357 64,1358 0.308,1359 163.07,1360 290.78,1361 389.651,1362 4533,1364 15.405,1365 0.734,1366 0.616,1367 15.405,1368 12.926,1369 10.062,1370 0.457,1371 0.33,1372 7.15,1373 9.654,1374 6.855,1375 5.768,1376 10.062,1377 7.259,1378 8.758,1379 0.292,1380 0.181,1381 8.758,1382 5.445,1383 7.21,1384 0.185,1385 0.099,1386 7.21,1387 3.875,1388 5.552,1389 0.113,1390 0.056,1391 5.552,1392 2.753,1393 4.384,1394 0.074,1395 0.031,1396 4.384,1397 1.807,1398 0.47,1399 63.085,1400 0.268,1401 20.597,1402 0.88,1403 104,1404 296.761,1405 114.916,1406 285.747,1407 384.15,1408 266,1409 121,1410 277.487,1411 131.809,1412 283.065,1413 409.82,1414 262,1415 4.747}
{0 CHEMBL545801,1 1.479,2 12.038,3 4.649,4 21.615,5 100.31,6 7.301,7 0.429,8 3.957,9 4.068,10 3.507,11 3.485,12 5.087,13 3.469,14 4.484,15 4.652,16 3.839,17 3.85,18 5.572,19 3.813,20 4.685,21 4.869,22 3.893,23 3.984,24 5.726,25 3.922,26 4.778,27 4.978,28 3.806,29 3.978,30 5.843,31 3.893,32 4.787,33 5.029,34 3.724,35 3.895,36 5.821,37 3.792,38 4.587,39 4.808,40 3.615,41 3.747,42 5.644,43 3.672,44 4.448,45 4.637,46 3.603,47 3.685,48 5.638,49 3.616,50 4.435,51 4.646,52 3.447,53 3.664,54 5.515,55 3.566,56 0.011,57 0.652,58 9.888,59 4.439,60 9.746,61 5.672,62 0.357,63 1.046,64 18.881,65 7.059,66 31.17,67 9.38,68 0.158,69 1.249,70 23.258,71 9.041,72 28.068,73 11.983,74 0.28,75 1.311,76 26.622,77 9.741,78 48.828,79 12.822,80 0.379,81 1.264,82 28.266,83 10.084,84 53.634,85 13.787,86 0.292,87 1.036,88 22.893,89 8.11,90 44.084,91 10.688,92 0.483,93 0.945,94 19.219,95 6.908,96 47.778,97 9.108,98 0.186,99 0.94,100 18.788,101 7.043,102 41.326,103 9.469,104 23,105 38,106 0.251,107 0.626,108 0.801,109 0.856,110 0.866,111 0.866,112 3.304,113 0.912,114 -4.44,115 -4.37,116 -4.12,121 43.8,123 2,126 2,127 1,129 1,142 1,143 1,144 7,145 2,146 3,161 1,176 9,179 3,180 6,185 3,187 10,192 6,197 4,200 8,206 9,211 1,214 3,218 1,219 10,222 1,224 1,227 5,232 2,239 8,243 2,244 5,247 2,251 10,256 1,264 7,269 4,274 2,277 6,281 1022,282 17.74,283 17.74,284 17.74,285 17.74,286 17.74,287 16.004,288 25.99,289 10.559,290 18.196,291 13.692,292 13.692,293 13.692,294 13.692,295 13.692,296 10.873,297 33.217,298 4.874,299 14.319,300 4.106,301 1.904,302 0.873,303 0.547,304 0.49,305 0.49,306 3.985,311 1,312 1,313 661,314 3.742,317 66.222,318 164.917,321 115.767,325 1.737,326 22.835,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 56,338 313,339 4.384,340 3.802,341 6.548,342 4.085,343 3.099,344 3.981,345 2.208,346 10.366,347 3.058,348 4.205,349 3.359,350 6.34,351 3.89,352 2.947,353 3.718,354 0.911,355 9.435,356 2.771,357 3.842,358 2.895,359 5.44,360 3.452,361 2.509,362 3.169,363 0.86,364 7.177,365 2.351,366 3.601,367 2.684,368 5.289,369 3.257,370 2.317,371 2.89,372 0.655,373 6.727,374 2.174,375 3.495,376 2.552,377 5.115,378 2.968,379 2.003,380 2.451,381 0.44,382 5.964,383 1.925,384 3.249,385 2.444,386 4.855,387 2.773,388 1.794,389 2.314,390 0.13,391 5.198,392 1.737,393 3.127,394 2.129,395 4.161,396 2.437,397 1.456,398 2.006,400 3.536,401 1.427,402 2.577,403 1.437,404 3.556,405 2.199,406 1.208,407 1.521,409 2.589,410 1.196,411 2.5,412 1.375,413 3.445,414 2,415 1,416 1.5,418 2.275,419 1,420 2.101,421 1.002,422 3.414,423 1.805,424 0.865,425 1.008,427 2.015,428 0.804,429 2.004,430 1,431 3.194,432 1.691,433 0.716,434 0.855,436 1.574,437 0.692,438 1.698,439 0.955,440 2.787,441 1.295,442 0.418,443 0.468,445 0.656,446 0.363,447 1.571,448 0.656,449 2.544,450 1.161,451 0.197,452 0.263,454 0.335,455 0.189,456 1.141,457 0.41,458 2.436,459 0.739,460 -0.229,461 -0.292,463 -0.533,464 -0.217,465 0.733,466 -0.192,467 2.213,468 0.358,469 -0.576,470 -0.696,472 -1.096,473 -0.53,474 12.3,475 0.473,476 0.554,477 0.021,478 33.5,479 1.288,480 17,481 0.654,482 16.5,483 0.635,484 19.835,485 0.763,486 27.9,487 0.581,488 25.255,489 0.971,490 6.87,491 0.264,492 5.748,493 0.221,494 0.149,496 0.317,501 0.822,502 1.319,503 0.799,504 1.134,505 0.651,506 0.985,507 0.892,508 0.95,509 0.884,510 0.871,511 0.555,512 0.866,513 1.035,514 1.217,515 0.997,516 1.139,517 0.748,518 1.071,519 1.312,520 1.15,521 1.178,522 1.144,523 1.273,524 1.139,525 1.029,526 0.935,527 0.931,528 0.958,529 1.281,530 0.938,531 1.392,532 0.901,533 0.975,534 0.865,535 1.467,536 0.861,537 1.022,538 0.91,539 1.053,540 0.948,541 1.225,542 0.997,543 1.089,544 1.075,545 1.119,546 1.089,547 1.553,548 1.102,549 5,550 0.069,551 3.111,552 1.729,553 1.316,554 0.834,555 0.608,556 0.345,557 0.3,558 0.162,559 8089,560 21348,561 2.037,562 45.8,563 2,564 16,565 1,567 1,569 2,572 1.689,573 1.902,574 3.542,575 -0.37,582 70.977,583 1.479,584 3.681,585 4.712,586 5.038,587 5.095,588 5.095,589 3.023,590 4.47,591 4.668,592 3.663,593 1190.43,594 8.08,595 15157.9,597 1,600 268.078,601 1.42,602 4.628,603 0.179,604 0.004,605 0.082,606 0.044,607 0.039,608 0.027,609 0.021,610 0.012,611 0.012,612 0.008,613 0.428,614 0.33,615 1,616 1.242,617 128.704,618 -0.021,619 -0.175,620 0.057,621 -0.092,622 -0.033,623 -0.019,624 0.162,625 0.149,626 0.058,627 0.109,628 0.122,629 0.075,630 -0.074,631 -0.179,632 -0.056,633 -0.147,634 0.013,635 -0.106,636 -0.167,637 -0.15,638 -0.198,639 -0.172,640 -0.119,641 -0.186,642 0.047,643 0.002,644 0.081,645 0.01,646 -0.021,647 0.042,648 -0.147,649 0.045,650 0.043,651 0.107,652 -0.164,653 0.104,654 0.232,655 0.111,656 -0.063,657 0.019,658 0.052,659 -0.057,660 -0.131,661 -0.07,662 -0.158,663 -0.108,664 -0.142,665 -0.13,666 2.11,667 5.451,668 0.577,669 24.893,670 1,671 1.12,672 3.21,673 10.305,674 0.666,675 3.367,676 3.664,677 3.932,678 4.143,679 4.331,680 4.394,681 4.5,682 4.533,683 4.466,684 4.533,685 6.728,686 0.634,687 350.45,688 3.367,689 4.89,690 5.733,691 6.597,692 7.46,693 8.332,694 9.202,695 10.077,696 10.951,697 11.829,698 4.2,700 1,705 1,715 7,720 5,722 12,737 1,739 1,741 48,743 14,744 2,745 28,747 50,748 21,749 12,750 5,751 7,756 3,757 4,767 3,770 3,771 2,772 13,773 6,777 1,782 1,786 1,790 1,793 22,794 5,795 1,796 5,802 2,808 0.667,809 3,828 1,829 2,832 1,836 1,837 1,853 1,859 2,864 2,868 26,876 3,877 1,878 2,880 1,881 1,885 1,886 1,891 1,893 6.3,896 1,898 2,901 13.667,902 9.2,903 5.944,904 2.737,907 2.299,908 1.321,909 0.955,910 5.823,911 9.459,912 3.638,913 4.143,914 4.649,915 5.14,916 5.634,917 5.769,918 6.04,919 6.213,920 6.203,921 6.52,922 1,923 39,924 9.58,926 3.953,927 0.026,929 7.763,931 18.246,933 14.564,936 2.263,937 58.833,940 1,941 247.193,942 159.517,943 21.135,945 47.145,948 159.517,949 294.338,950 21.135,951 19.279,952 10.299,953 84.344,954 25.145,955 41.615,956 58.885,957 235.422,959 247.193,960 180.652,961 47.145,964 223.651,965 70.687,968 28.31,969 135.312,970 17.031,972 247.193,973 68.28,974 159.517,977 247.193,978 33.552,979 88.737,980 35.041,981 70.466,982 247.193,983 68.28,984 159.517,986 0.57,987 0.34,988 0.175,989 0.096,990 17,991 8,992 0.12,993 6,994 1,995 1.133,996 3.82,997 208.983,998 0.133,999 15,1000 118.211,1005 18.315,1006 8.266,1007 4.208,1009 68.28,1010 12.999,1015 4.411,1017 18.011,1018 474.99,1019 37,1024 12.451,1028 -0.443,1031 48.022,1032 53.777,1034 0.265,1035 0.659,1036 0.844,1037 0.902,1038 0.912,1039 0.912,1040 4.875,1041 1.208,1042 5.707,1043 3.536,1044 4.344,1045 4.828,1046 2.618,1047 6.5,1048 4.262,1049 6.063,1050 1,1051 7.259,1052 2.589,1053 3.892,1054 4.527,1055 1.847,1056 7.376,1057 3.76,1058 7.354,1059 0.865,1060 8.911,1061 2.275,1062 5.922,1063 6.914,1064 3.6,1065 10.455,1066 5.762,1067 8.678,1068 0.716,1069 10.621,1070 2.015,1071 6.312,1072 7.419,1073 3.656,1074 12.157,1075 6.106,1076 10.03,1077 0.418,1078 12.369,1079 1.574,1080 7.785,1081 9.281,1082 4.969,1083 14.747,1084 7.561,1085 11.401,1086 0.197,1087 14.142,1088 0.656,1089 8.558,1090 10.165,1091 5.37,1092 16.794,1093 8.298,1094 12.788,1095 -0.229,1096 15.934,1097 0.335,1098 9.811,1099 11.798,1100 6.46,1101 19.214,1102 9.536,1103 3.099,1104 -0.576,1105 17.74,1106 -0.533,1107 10.764,1108 12.883,1109 7.028,1110 21.412,1111 10.462,1112 2.947,1113 10.366,1114 19.557,1115 -1.096,1116 11.928,1117 14.399,1118 7.994,1119 23.768,1120 11.611,1121 2.509,1122 9.435,1123 21.384,1124 3.981,1125 12.965,1126 15.598,1127 8.654,1128 26.034,1129 12.628,1130 2.317,1131 7.177,1132 23.217,1133 3.718,1134 14.094,1135 17.05,1136 9.549,1137 28.366,1138 13.743,1139 2.003,1140 6.727,1141 25.057,1142 3.169,1143 15.171,1144 18.317,1145 10.263,1146 30.662,1147 14.803,1148 1.794,1149 5.964,1150 26.902,1151 2.89,1152 16.288,1153 19.732,1154 11.116,1155 32.987,1156 15.908,1157 1.456,1158 5.198,1159 28.75,1160 2.451,1161 17.384,1162 21.039,1163 11.862,1164 35.298,1165 16.99,1166 7959,1167 13044,1168 18.493,1169 31.989,1170 42.353,1171 42.719,1172 43.144,1173 41.047,1174 41.058,1175 52.289,1176 10.409,1177 115.694,1178 39.375,1179 5.277,1180 5.802,1181 6.41,1182 5.175,1183 5.099,1184 6.981,1185 3.912,1186 17.112,1187 5.058,1188 13.294,1189 1.513,1190 1.526,1191 1.541,1192 1.466,1193 1.466,1194 1.867,1195 0.372,1196 4.132,1197 1.406,1198 4.037,1199 4.066,1200 3.978,1201 3.965,1202 7.433,1203 3.963,1204 3.919,1205 3.947,1206 3.863,1207 3.83,1208 5.432,1209 3.833,1210 3.597,1211 3.643,1212 3.517,1213 3.444,1214 4.876,1215 3.448,1216 3.496,1217 3.539,1218 3.413,1219 3.306,1220 4.801,1221 3.318,1222 3.361,1223 3.419,1224 3.235,1225 3.18,1226 4.411,1227 3.199,1228 3.198,1229 3.272,1230 3.018,1231 2.919,1232 4.297,1233 2.926,1234 3.019,1235 3.081,1236 2.868,1237 2.864,1238 4.035,1239 2.855,1240 2.921,1241 2.973,1242 2.731,1243 2.735,1244 3.897,1245 2.715,1246 0.157,1247 0.136,1248 0.234,1249 0.146,1250 0.111,1251 4.384,1252 0.142,1253 3.802,1254 0.079,1255 6.548,1256 0.37,1257 4.085,1258 0.109,1259 3.099,1260 3.981,1261 2.208,1262 10.366,1263 3.058,1264 1.902,1265 1.882,1266 2,1267 2.019,1268 1.187,1269 2.011,1270 1.878,1271 1.855,1272 1.979,1273 1.966,1274 1.174,1275 1.971,1276 1.636,1277 1.575,1278 1.855,1279 1.823,1280 1.083,1281 1.837,1282 1.434,1283 1.384,1284 1.656,1285 1.673,1286 0.729,1287 1.658,1288 1.372,1289 1.319,1290 1.638,1291 1.574,1292 0.683,1293 1.603,1294 1.163,1295 1.087,1296 1.551,1297 1.469,1298 0.566,1299 1.497,1300 1.062,1301 1.009,1302 1.282,1303 1.283,1304 0.442,1305 1.277,1306 0.886,1307 0.821,1308 1.181,1309 1.132,1310 0.218,1311 1.127,1312 4.043,1314 5.342,1315 2.398,1316 6.838,1317 4.727,1318 8.422,1319 6.823,1320 10.052,1322 3.279,1328 2.52,1329 3.329,1330 10.686,1332 0.207,1333 1.459,1337 5.334,1339 2.601,1340 30.455,1341 70.977,1342 176.67,1343 226.162,1344 241.814,1345 244.568,1346 244.568,1347 43.299,1348 7.16,1349 50.8,1350 50.8,1351 17,1352 12.367,1353 3.907,1354 3.322,1355 44.501,1356 105,1357 112,1358 0.208,1359 189.26,1360 337.59,1361 453.555,1362 12207,1364 18.518,1365 0.712,1366 0.577,1367 18.518,1368 14.989,1369 12.618,1370 0.451,1371 0.304,1372 8.379,1373 12.103,1374 8.121,1375 6.781,1376 12.618,1377 8.514,1378 10.844,1379 0.285,1380 0.162,1381 10.844,1382 6.162,1383 9.414,1384 0.188,1385 0.092,1386 9.414,1387 4.584,1388 7.303,1389 0.118,1390 0.05,1391 7.303,1392 3.119,1393 5.714,1394 0.076,1395 0.027,1396 5.714,1397 1.996,1398 0.331,1399 79.292,1400 0.233,1401 25.382,1402 0.558,1403 132,1404 397.185,1405 145.767,1406 379.891,1407 516.15,1408 356,1409 154,1410 376.032,1411 167.134,1412 381.945,1413 553.03,1414 356,1415 6.066}
{0 CHEMBL54727,1 1.476,2 10.24,3 3.927,4 15.421,5 98.174,6 7.03,7 0.429,8 3.972,9 4.096,10 3.505,11 3.496,12 5.006,13 3.472,14 4.543,15 4.729,16 3.922,17 3.933,18 5.558,19 3.893,20 4.802,21 4.989,22 3.985,23 4.128,24 5.728,25 4.049,26 4.989,27 5.245,28 3.887,29 4.138,30 5.876,31 4.02,32 4.905,33 5.147,34 3.698,35 3.994,36 5.872,37 3.854,38 4.803,39 5.105,40 3.478,41 3.733,42 5.65,43 3.594,44 4.322,45 4.531,46 3.409,47 3.505,48 5.372,49 3.432,50 4.284,51 4.494,52 3.324,53 3.458,54 5.407,55 3.388,56 0.024,57 0.708,58 10.643,59 4.389,60 7.956,61 6.012,62 0.381,63 1.184,64 20.551,65 7.264,66 32.38,67 10.365,68 0.172,69 1.48,70 26.456,71 9.978,72 25.616,73 13.992,74 0.317,75 1.646,76 33.965,77 11.406,78 40.745,79 16.735,80 0.316,81 1.408,82 31.42,83 11.304,84 50.466,85 15.801,86 0.45,87 1.141,88 30.429,89 9.857,90 51.507,91 14.066,92 0.263,93 0.811,94 17.375,95 6.068,96 28.339,97 8.21,98 0.341,99 0.797,100 16.971,101 5.259,102 39.574,103 7.193,104 17,105 42,106 0.252,107 0.579,108 0.748,109 0.84,110 0.86,111 0.86,112 3.267,113 0.922,114 -4.31,115 -4.24,116 -4.01,121 41.7,122 1,123 1,125 1,126 2,127 1,130 1,144 8,145 1,146 3,161 1,176 9,179 2,180 7,183 2,185 2,187 10,192 8,197 2,200 7,206 9,211 3,214 3,218 1,219 9,224 2,227 2,231 1,232 3,237 1,239 4,243 1,244 2,247 1,249 2,251 8,255 1,259 1,264 8,269 2,277 8,281 821,282 16.687,283 16.687,284 16.687,285 16.687,286 16.687,287 15.12,288 24.797,289 9.586,290 17.05,291 13.8,292 13.8,293 13.8,294 13.8,295 13.8,296 11.415,297 36.489,298 4.547,299 14.384,300 4.109,301 2.194,302 1.204,303 0.662,304 0.547,305 0.547,306 3.96,310 1,311 1,312 1,313 565,314 3.391,317 94.62,318 133.649,320 76.386,321 81.218,324 113.567,325 1.51,326 17.659,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 53.5,338 256,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 4.021,349 3.675,350 6.211,351 3.668,352 2.721,353 3.483,354 0.966,355 8.83,356 2.577,357 3.907,358 2.825,359 6.169,360 3.542,361 2.573,362 3.303,363 0.693,364 8.459,365 2.49,366 3.624,367 2.743,368 5.558,369 3.368,370 2.43,371 2.856,372 0.366,373 7.562,374 2.269,375 3.453,376 2.572,377 5.31,378 3.226,379 2.288,380 2.578,382 6.818,383 2.132,384 3.281,385 2.469,386 4.795,387 2.891,388 1.913,389 2.42,391 5.081,392 1.851,393 2.85,394 1.746,395 4.602,396 2.438,397 1.488,398 1.984,400 4.341,401 1.411,402 2.615,403 1.519,404 4.213,405 2.359,406 1.372,407 1.629,409 3.06,410 1.346,411 2.517,412 1.171,413 3.723,414 2.127,415 1.133,416 1.521,418 2.99,419 1.126,420 2.5,421 1,422 3.57,423 2,424 1,425 1.5,427 2.136,428 1,429 1.785,430 0.932,431 3.247,432 1.694,433 0.729,434 0.76,436 1.821,437 0.701,438 1.252,439 0.736,440 3.088,441 0.965,442 0.051,443 0.059,445 0.141,446 0.047,447 1.167,448 0.346,449 2.942,450 0.745,451 -0.244,452 -0.278,454 -0.596,455 -0.236,456 0.762,457 -0.017,458 2.602,459 0.636,460 -0.313,461 -0.366,463 -0.761,464 -0.297,465 0.67,466 -0.218,467 2.427,468 0.308,469 -0.678,470 -0.839,472 -1.876,473 -0.66,474 11.867,475 0.475,476 0.771,477 0.031,478 31.75,479 1.27,480 15,481 0.6,482 16.75,483 0.67,484 21.348,485 0.854,486 27.133,487 0.565,488 22.707,489 0.908,490 6.148,491 0.246,492 5.839,493 0.234,494 0.154,495 0.042,496 0.32,501 0.812,502 1.435,503 0.82,504 1.155,505 0.622,506 1.009,507 0.716,508 0.898,509 0.812,510 0.799,511 0.402,512 0.799,513 1.011,514 1.348,515 1.079,516 1.226,517 0.728,518 1.171,519 1.001,520 0.975,521 1.041,522 1.002,523 0.649,524 1.005,525 1.162,526 1.153,527 1.139,528 1.248,529 1.342,530 1.208,531 1.339,532 0.618,533 0.765,534 0.634,535 1.23,536 0.638,537 1.484,538 1.007,539 1.016,540 0.993,541 1.544,542 0.969,543 1.913,544 0.835,545 1.256,546 0.839,547 2.699,548 0.947,549 6,550 0.134,551 3.556,552 3.458,553 1.397,554 0.764,555 0.531,556 0.269,557 0.274,558 0.191,559 7295,560 16247,561 2.095,562 47.9,563 3,564 16,565 1,567 1,569 2,572 1.678,573 1.935,574 3.282,575 -0.356,577 1,582 70.843,583 1.476,584 3.391,585 4.381,586 4.923,587 5.038,588 5.038,589 2.699,590 4.404,591 4.615,592 3.452,593 1035.73,594 7.971,595 12338.5,597 1,599 1,600 268.078,601 1.643,602 4.557,603 0.214,604 0.008,605 0.085,606 0.08,607 0.038,608 0.027,609 0.022,610 0.012,611 0.013,612 0.01,613 0.509,614 0.5,615 1,616 0.609,617 119.989,618 -0.01,619 -0.231,620 0.076,621 -0.084,622 -0.047,623 -0.008,624 0.274,625 0.258,626 0.143,627 0.192,628 0.239,629 0.161,630 -0.094,631 -0.266,632 -0.14,633 -0.209,634 -0.032,635 -0.188,636 -0.088,637 0.034,638 -0.061,639 -0.05,640 0.09,641 -0.042,642 -0.018,643 -0.228,644 -0.146,645 -0.264,646 -0.056,647 -0.229,648 0.007,649 0.189,650 0.294,651 0.304,652 -0.007,653 0.331,654 -0.002,655 -0.041,656 0.005,657 -0.011,658 -0.055,659 -0.014,660 -0.218,661 0.195,662 -0.209,663 0.092,664 -0.324,665 -0.04,666 2.136,667 5.154,668 0.72,669 20.634,670 0.996,671 1.126,672 3.079,673 9.478,674 0.657,675 3.367,676 3.761,677 4.094,678 4.443,679 4.635,680 4.7,681 4.883,682 4.956,683 4.949,684 5.004,685 5.997,686 0.62,687 337.46,688 3.367,689 4.949,690 5.838,691 6.767,692 7.68,693 8.621,694 9.548,695 10.495,696 11.433,697 12.385,698 6.3,701 1,704 1,705 1,715 8,720 4,722 12,736 1,737 1,741 48,743 13,744 2,745 28,747 51,748 20,749 12,750 4,751 8,756 4,757 7,763 1,764 1,766 1,767 1,770 1,772 13,773 7,777 1,782 1,786 1,790 1,793 23,794 5,795 1,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 3,868 25,876 2,877 1,878 1,880 1,881 2,882 1,893 4.2,896 1,898 1,901 12.917,902 9.483,903 5.319,904 2.822,907 2.117,908 1.28,909 0.971,910 3.971,911 9.669,912 3.584,913 4.159,914 4.682,915 5.242,916 5.717,917 5.858,918 6.213,919 6.482,920 6.585,921 6.783,922 0.857,923 43,924 9.26,926 3.993,927 0.026,929 7.617,931 18.004,933 15.334,936 2.117,937 52.917,940 1,941 258.964,942 126.773,943 24.259,945 36.145,948 126.773,949 295.109,950 24.259,951 25.618,952 22.651,953 75.81,954 25.145,955 31.191,956 18.534,957 247.193,959 258.964,960 151.033,961 36.145,964 235.422,965 59.687,968 34.601,969 116.432,972 258.964,973 60.404,974 126.773,977 258.964,978 25.345,979 107.677,980 18.011,981 36.145,982 258.964,983 60.404,984 126.773,986 0.597,987 0.359,988 0.205,989 0.106,990 23,991 10,992 0.059,993 3,994 2,995 1.222,996 3.665,997 217.709,998 0.222,999 18,1000 112.096,1005 16.431,1006 6.042,1007 2.697,1009 60.404,1010 15.26,1015 3.777,1017 18.011,1018 446.142,1019 35,1024 12.154,1028 -0.47,1031 47.796,1032 54.066,1034 0.264,1035 0.607,1036 0.784,1037 0.881,1038 0.902,1039 0.902,1040 4.875,1041 1.372,1042 5.883,1043 4.341,1044 4.443,1045 4.844,1046 2.466,1047 6.825,1048 4.364,1049 6.092,1050 1.133,1051 7.529,1052 3.06,1053 4.29,1054 4.691,1055 1.905,1056 8.207,1057 4.18,1058 7.427,1059 1,1060 9.296,1061 2.99,1062 6.192,1063 6.953,1064 3.531,1065 11.384,1066 6.048,1067 8.798,1068 0.729,1069 11.143,1070 2.136,1071 6.889,1072 7.564,1073 3.612,1074 13.681,1075 6.73,1076 10.208,1077 0.051,1078 13.046,1079 1.821,1080 8.346,1081 9.371,1082 4.913,1083 16.511,1084 8.164,1085 11.646,1086 -0.244,1087 14.991,1088 0.141,1089 9.415,1090 10.351,1091 5.293,1092 19.115,1093 9.224,1094 13.108,1095 -0.313,1096 16.968,1097 -0.596,1098 10.747,1099 11.965,1100 6.388,1101 21.867,1102 10.538,1103 3.737,1104 -0.678,1105 18.97,1106 -0.761,1107 11.968,1108 13.144,1109 6.931,1110 24.561,1111 11.747,1112 2.721,1113 15.306,1114 20.99,1115 -1.876,1116 13.276,1117 14.664,1118 7.902,1119 27.295,1120 13.037,1121 2.573,1122 8.83,1123 23.025,1124 4.206,1125 14.555,1126 15.954,1127 8.539,1128 30.013,1129 14.301,1130 2.43,1131 8.459,1132 25.071,1133 3.483,1134 15.863,1135 17.428,1136 9.436,1137 32.743,1138 15.59,1139 2.288,1140 7.562,1141 27.125,1142 3.303,1143 17.165,1144 18.781,1145 10.13,1146 35.468,1147 16.874,1148 1.913,1149 6.818,1150 29.185,1151 2.856,1152 18.476,1153 20.233,1154 10.981,1155 38.197,1156 18.166,1157 1.488,1158 5.081,1159 31.25,1160 2.578,1161 19.788,1162 21.621,1163 11.71,1164 40.924,1165 19.457,1166 6902,1167 10440,1168 18.493,1169 31.54,1170 43.276,1171 43.987,1172 44.983,1173 42.843,1174 42.872,1175 52.599,1176 8.422,1177 133.093,1178 41.213,1179 5.797,1180 5.973,1181 7.808,1182 5.802,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 12.265,1189 1.546,1190 1.571,1191 1.607,1192 1.53,1193 1.531,1194 1.879,1195 0.301,1196 4.753,1197 1.472,1198 4.092,1199 4.13,1200 4.039,1201 3.996,1202 7.435,1203 4.001,1204 3.899,1205 3.934,1206 3.832,1207 3.821,1208 4.845,1209 3.818,1210 3.699,1211 3.741,1212 3.615,1213 3.563,1214 4.756,1215 3.566,1216 3.397,1217 3.438,1218 3.335,1219 3.114,1220 4.445,1221 3.158,1222 3.272,1223 3.362,1224 3.101,1225 3.047,1226 4.143,1227 3.043,1228 3.227,1229 3.31,1230 3.036,1231 2.997,1232 3.931,1233 3.007,1234 2.976,1235 3.093,1236 2.713,1237 2.761,1238 3.888,1239 2.727,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.77,1245 2.715,1246 0.173,1247 0.142,1248 0.286,1249 0.168,1250 0.133,1251 4.832,1252 0.15,1253 3.973,1254 0.078,1255 8.006,1256 0.547,1257 4.714,1258 0.131,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.907,1265 1.887,1266 2.014,1267 2.01,1268 1.31,1269 2.009,1270 1.881,1271 1.85,1272 1.999,1273 1.969,1274 1.062,1275 1.98,1276 1.633,1277 1.577,1278 1.832,1279 1.836,1280 1.056,1281 1.837,1282 1.534,1283 1.453,1284 1.787,1285 1.754,1286 1.012,1287 1.774,1288 1.255,1289 1.205,1290 1.58,1291 1.563,1292 0.644,1293 1.546,1294 1.153,1295 1.082,1296 1.453,1297 1.443,1298 0.563,1299 1.434,1300 1.014,1301 0.899,1302 1.317,1303 1.291,1304 0.347,1305 1.353,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.278,1311 1.107,1312 4.043,1314 5.416,1315 3.045,1316 6.987,1317 5.638,1318 8.656,1319 7.921,1320 10.385,1322 6.611,1328 2.176,1329 2.75,1330 5.517,1332 0.357,1333 4.721,1334 0.064,1340 29.762,1341 70.843,1342 162.775,1343 210.304,1344 236.304,1345 241.814,1346 241.814,1347 35.473,1348 7.552,1349 44.81,1350 44.81,1351 22,1352 12.876,1353 3.807,1354 3,1355 36.085,1356 91,1357 93,1358 0.199,1359 180.927,1360 315.42,1361 433.223,1362 18981,1364 17.604,1365 0.704,1366 0.593,1367 17.604,1368 14.821,1369 11.987,1370 0.428,1371 0.307,1372 8.48,1373 11.532,1374 8.168,1375 6.802,1376 11.987,1377 8.604,1378 11.437,1379 0.272,1380 0.171,1381 11.437,1382 7.192,1383 9.81,1384 0.166,1385 0.094,1386 9.81,1387 5.532,1388 8.892,1389 0.106,1390 0.052,1391 8.892,1392 4.391,1393 6.842,1394 0.067,1395 0.028,1396 6.842,1397 2.891,1398 0.311,1399 75.006,1400 0.233,1401 24.147,1402 0.549,1403 140,1404 359.094,1405 153.359,1406 347.551,1407 484.64,1408 326,1409 171,1410 369.092,1411 184.642,1412 375.549,1413 554.61,1414 351,1415 7.639}
{0 CHEMBL54864,1 1.498,2 9.667,3 3.524,4 12.417,5 93.686,6 7.187,7 0.444,8 3.915,9 4.039,10 3.46,11 3.456,12 4.965,13 3.435,14 4.472,15 4.639,16 3.877,17 3.894,18 5.532,19 3.849,20 4.751,21 4.95,22 3.897,23 4.04,24 5.705,25 3.959,26 4.841,27 5.091,28 3.717,29 3.963,30 5.778,31 3.845,32 4.717,33 4.982,34 3.616,35 3.72,36 5.732,37 3.626,38 4.423,39 4.629,40 3.392,41 3.464,42 5.526,43 3.42,44 4.149,45 4.336,46 3.375,47 3.429,48 5.27,49 3.373,50 4.234,51 4.433,52 3.275,53 3.477,54 5.374,55 3.39,56 0.033,57 0.666,58 9.749,59 4.086,60 7.461,61 5.472,62 0.31,63 1.102,64 18.335,65 7.186,66 31.157,67 9.927,68 0.18,69 1.384,70 25.142,71 9.298,72 27.123,73 12.991,74 0.262,75 1.416,76 29.152,77 9.729,78 38.504,79 14.117,80 0.306,81 1.118,82 27.009,83 8.891,84 48.455,85 12.51,86 0.462,87 0.798,88 20.412,89 6.117,90 51.443,91 7.625,92 0.206,93 0.719,94 14.018,95 5.154,96 25.199,97 6.871,98 0.299,99 0.791,100 15.523,101 5.193,102 41.272,103 7.035,104 10,105 40,106 0.259,107 0.619,108 0.807,109 0.883,110 0.898,111 0.898,112 3.229,113 0.917,114 -4.08,115 -4.03,116 -3.81,121 42.2,122 2,123 1,125 1,127 1,130 1,144 7,145 2,146 3,161 1,176 10,179 1,180 2,183 2,184 1,185 7,187 11,192 2,197 9,200 9,206 7,211 5,214 4,219 10,222 1,224 3,227 2,232 3,235 1,237 1,239 4,244 2,247 1,248 1,249 2,251 10,259 1,260 1,264 10,274 2,277 9,281 752,282 16.134,283 16.134,284 16.134,285 16.134,286 16.134,287 14.49,288 24.491,289 9.29,290 16.413,291 13.322,292 13.322,293 13.322,294 13.322,295 13.322,296 10.847,297 35.316,298 4.394,299 13.776,300 3.993,301 1.914,302 0.826,303 0.389,304 0.3,305 0.3,306 3.924,310 1,311 1,312 1,313 517,314 3.317,317 92.683,318 127.855,320 74.457,321 78.172,324 109.827,325 1.472,326 19.365,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 51.5,338 232,339 4.755,340 3.87,341 7.887,342 4.636,343 3.649,344 4.153,345 2.186,346 14.705,347 3.601,348 4.189,349 3.678,350 6.056,351 3.813,352 2.841,353 3.788,354 0.647,355 8.714,356 2.765,357 3.941,358 2.909,359 5.982,360 3.582,361 2.622,362 3.276,363 0.366,364 8.222,365 2.513,366 3.6,367 2.706,368 5.395,369 3.244,370 2.285,371 2.824,372 0.247,373 6.975,374 2.165,375 3.291,376 2.332,377 5.249,378 2.915,379 1.953,380 2.501,382 5.906,383 1.867,384 2.966,385 2.205,386 4.777,387 2.762,388 1.816,389 2.048,391 5.25,392 1.711,393 2.874,394 1.669,395 4.12,396 2.414,397 1.414,398 2.032,400 3.562,401 1.414,402 2.804,403 1.472,404 4.079,405 2.366,406 1.378,407 1.912,409 2.972,410 1.356,411 2.42,412 1.321,413 3.646,414 2.108,415 1.137,416 1.401,418 2.957,419 1.103,420 2.14,421 1.119,422 3.596,423 2.037,424 1.06,425 1.135,427 2.503,428 1.033,429 1.5,430 0.86,431 3.153,432 1.252,433 0.32,434 0.361,436 0.838,437 0.296,438 1.393,439 0.545,440 2.974,441 1.08,442 0.106,443 0.126,445 0.252,446 0.103,447 0.953,448 0.298,449 2.816,450 0.673,451 -0.273,452 -0.315,454 -0.719,455 -0.256,456 0.781,457 -0.098,458 2.431,459 0.406,460 -0.594,461 -0.703,463 -1.403,464 -0.584,465 0.61,466 -0.406,467 2.331,468 0.271,469 -0.717,470 -0.869,472 -1.883,473 -0.707,474 11.367,475 0.474,476 0.699,477 0.029,478 30.75,479 1.281,480 15,481 0.625,482 15.75,483 0.656,484 19.55,485 0.815,486 25.833,487 0.574,488 21.068,489 0.878,490 5.857,491 0.244,492 5.702,493 0.238,494 0.117,495 0.044,496 0.308,501 0.859,502 1.225,503 0.821,504 1.03,505 0.654,506 0.927,507 0.537,508 1.033,509 0.797,510 0.959,511 0.414,512 0.918,513 1.014,514 1.28,515 1.061,516 1.175,517 0.736,518 1.131,519 1.038,520 1.074,521 1.11,522 1.111,523 0.802,524 1.103,525 1.241,526 0.907,527 0.827,528 0.928,529 1.343,530 0.84,531 2.71,532 0.712,533 1.265,534 0.707,535 2.586,536 0.802,537 1.271,538 1.015,539 0.96,540 0.985,541 1.509,542 0.955,543 1.564,544 0.893,545 1.348,546 0.975,547 2.593,548 1.108,549 6,550 0.114,551 3.556,552 2.424,553 1.218,554 0.615,555 0.501,556 0.228,557 0.231,558 0.217,559 6776,560 15300,561 2.125,562 46.7,563 6,564 9,565 1,567 3,569 2,572 1.666,573 1.986,574 3.235,575 0.957,577 1,579 1,582 67.429,583 1.498,584 3.578,585 4.666,586 5.103,587 5.192,588 5.192,589 2.62,590 4.502,591 4.562,592 3.41,593 941.05,594 7.853,595 11056.7,597 1,599 1,600 247.133,601 1.564,602 4.509,603 0.222,604 0.006,605 0.089,606 0.062,607 0.041,608 0.023,609 0.023,610 0.01,611 0.012,612 0.012,613 0.499,614 0.5,615 1,616 0.566,617 113.973,618 -0.066,619 -0.03,620 0.049,621 0.023,622 -0.073,623 0.052,624 0.337,625 0.088,626 0.117,627 0.062,628 0.239,629 0.057,630 -0.098,631 -0.229,632 -0.121,633 -0.179,634 -0.024,635 -0.159,636 -0.095,637 -0.076,638 -0.129,639 -0.165,640 0.006,641 -0.144,642 0.065,643 -0.031,644 0.22,645 0.022,646 0.088,647 0.129,648 -0.391,649 0.168,650 -0.141,651 0.226,652 -0.37,653 0.091,654 0.033,655 -0.007,656 0.023,657 0.013,658 0.008,659 0.006,660 -0.211,661 0.166,662 -0.357,663 -0.023,664 -0.381,665 -0.186,666 2.138,667 5.181,668 0.75,669 18.083,670 0.998,671 1.126,672 2.851,673 8.129,674 0.662,675 3.332,676 3.714,677 4.025,678 4.317,679 4.5,680 4.543,681 4.71,682 4.771,683 4.787,684 4.875,685 5.912,686 0.627,687 323.43,688 3.332,689 4.905,690 5.784,691 6.696,692 7.595,693 8.513,694 9.424,695 10.346,696 11.264,697 12.19,698 6.7,700 1,703 1,705 1,715 7,720 5,722 12,734 1,737 1,741 45,743 13,744 2,745 27,747 48,748 19,749 12,750 5,751 7,756 4,757 7,763 2,764 1,766 1,767 1,770 1,772 13,773 6,777 1,782 1,786 1,789 1,790 1,793 21,794 5,795 3,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,853 1,859 2,864 2,868 24,876 2,877 3,878 1,880 1,882 1,893 4.4,896 1,898 1,901 12.083,902 8.5,903 5.097,904 2.694,907 2.2,908 1.296,909 0.989,910 3.74,911 9.644,912 3.555,913 4.143,914 4.663,915 5.2,916 5.678,917 5.782,918 6.103,919 6.356,920 6.451,921 6.682,922 1,923 39,924 8.893,926 3.872,927 0.026,929 7.649,931 17.215,933 14.733,936 2.149,937 51.583,940 1,941 211.88,942 112.515,943 54.032,945 36.145,948 112.515,949 248.025,950 54.032,951 17.65,952 22.651,953 84.344,954 43.156,955 28.128,956 18.534,957 200.109,959 211.88,960 166.547,961 36.145,964 188.338,965 59.687,968 58.312,969 90.224,970 18.011,972 211.88,973 90.177,974 112.515,977 211.88,978 28.531,979 83.984,980 54.032,981 36.145,982 211.88,983 90.177,984 112.515,986 0.596,987 0.356,988 0.193,989 0.099,990 22,991 9,992 0.063,993 3,994 2,995 1.222,996 3.64,997 202.695,998 0.222,999 18,1000 108.039,1005 15.486,1006 5.796,1007 2.693,1009 90.177,1010 13.422,1015 4.646,1017 54.032,1018 414.572,1019 34,1024 12.181,1028 -0.471,1031 44.912,1032 50.651,1034 0.273,1035 0.652,1036 0.85,1037 0.929,1038 0.945,1039 0.945,1040 4.836,1041 1.378,1042 5.82,1043 3.562,1044 4.394,1045 4.828,1046 2.351,1047 6.732,1048 4.332,1049 6.056,1050 1.137,1051 7.449,1052 2.972,1053 4.205,1054 4.705,1055 1.784,1056 8.085,1057 4.137,1058 7.391,1059 1.06,1060 9.201,1061 2.957,1062 6.125,1063 6.969,1064 3.501,1065 11.216,1066 6.017,1067 8.764,1068 0.32,1069 11.034,1070 2.503,1071 6.792,1072 7.617,1073 3.59,1074 13.487,1075 6.691,1076 10.174,1077 0.106,1078 12.924,1079 0.838,1080 8.249,1081 9.414,1082 4.906,1083 16.269,1084 8.121,1085 11.609,1086 -0.273,1087 14.857,1088 0.252,1089 9.288,1090 10.419,1091 5.289,1092 18.839,1093 9.164,1094 13.066,1095 -0.594,1096 16.822,1097 -0.719,1098 10.606,1099 12.019,1100 6.387,1101 21.548,1102 10.465,1103 3.649,1104 -0.717,1105 18.812,1106 -1.403,1107 11.795,1108 13.206,1109 6.93,1110 24.202,1111 11.652,1112 2.841,1113 14.705,1114 20.821,1115 -1.883,1116 13.079,1117 14.712,1118 7.902,1119 26.895,1120 12.924,1121 2.622,1122 8.714,1123 22.844,1124 4.153,1125 14.327,1126 15.995,1127 8.539,1128 29.574,1129 14.165,1130 2.285,1131 8.222,1132 24.877,1133 3.788,1134 15.608,1135 17.453,1136 9.436,1137 32.263,1138 15.435,1139 1.953,1140 6.975,1141 26.918,1142 3.276,1143 16.881,1144 18.791,1145 10.13,1146 34.948,1147 16.698,1148 1.816,1149 5.906,1150 28.966,1151 2.824,1152 18.166,1153 20.225,1154 10.981,1155 37.636,1156 17.971,1157 1.414,1158 5.25,1159 31.018,1160 2.501,1161 19.449,1162 21.594,1163 11.71,1164 40.324,1165 19.243,1166 6350,1167 9658,1168 18.087,1169 29.779,1170 41.522,1171 42.38,1172 42.716,1173 41.131,1174 41.163,1175 51.113,1176 6.894,1177 125.712,1178 39.853,1179 5.717,1180 5.87,1181 7.574,1182 5.726,1183 5.649,1184 7.153,1185 3.889,1186 22.9,1187 5.601,1188 10.413,1189 1.538,1190 1.57,1191 1.582,1192 1.523,1193 1.525,1194 1.893,1195 0.255,1196 4.656,1197 1.476,1198 4.076,1199 4.113,1200 4.02,1201 3.983,1202 7.435,1203 3.987,1204 3.926,1205 3.959,1206 3.863,1207 3.855,1208 4.858,1209 3.852,1210 3.678,1211 3.719,1212 3.591,1213 3.543,1214 4.749,1215 3.545,1216 3.375,1217 3.398,1218 3.321,1219 3.076,1220 4.468,1221 3.134,1222 3.169,1223 3.256,1224 2.967,1225 3.016,1226 4.127,1227 2.996,1228 3.132,1229 3.236,1230 2.926,1231 2.93,1232 3.91,1233 2.913,1234 3.057,1235 3.145,1236 2.908,1237 2.833,1238 3.842,1239 2.844,1240 2.815,1241 2.876,1242 2.681,1243 2.643,1244 3.804,1245 2.639,1246 0.176,1247 0.143,1248 0.292,1249 0.172,1250 0.135,1251 4.755,1252 0.154,1253 3.87,1254 0.081,1255 7.887,1256 0.545,1257 4.636,1258 0.133,1259 3.649,1260 4.153,1261 2.186,1262 14.705,1263 3.601,1264 1.918,1265 1.893,1266 2.036,1267 2.021,1268 1.31,1269 2.024,1270 1.895,1271 1.872,1272 2.001,1273 1.975,1274 1.135,1275 1.984,1276 1.605,1277 1.554,1278 1.809,1279 1.773,1280 0.996,1281 1.786,1282 1.435,1283 1.347,1284 1.689,1285 1.708,1286 0.927,1287 1.711,1288 1.214,1289 1.176,1290 1.553,1291 1.531,1292 0.604,1293 1.474,1294 1.189,1295 1.124,1296 1.36,1297 1.418,1298 0.47,1299 1.465,1300 0.978,1301 0.889,1302 1.306,1303 1.263,1304 0.272,1305 1.298,1306 0.811,1307 0.747,1308 1.089,1309 1.042,1310 0.161,1311 1.055,1312 4.007,1314 5.371,1315 3.045,1316 6.929,1317 5.533,1318 8.581,1319 7.735,1320 10.286,1322 4.193,1328 2.059,1329 9.765,1330 5.494,1332 0.253,1334 0.043,1340 28.235,1341 67.429,1342 161.022,1343 209.972,1344 229.624,1345 233.624,1346 233.624,1347 34.095,1348 7.444,1349 62.39,1350 62.39,1351 22,1352 12.697,1353 3.807,1354 3,1355 34.03,1356 86,1357 76,1358 0.195,1359 171.335,1360 298.12,1361 409.817,1362 17269,1364 16.734,1365 0.697,1366 0.577,1367 16.734,1368 13.85,1369 11.559,1370 0.428,1371 0.306,1372 8.153,1373 11.179,1374 7.905,1375 6.558,1376 11.559,1377 8.251,1378 10.975,1379 0.274,1380 0.168,1381 10.975,1382 6.736,1383 9.467,1384 0.172,1385 0.093,1386 9.467,1387 5.128,1388 8.053,1389 0.109,1390 0.049,1391 8.053,1392 3.643,1393 6.335,1394 0.071,1395 0.026,1396 6.335,1397 2.332,1398 0.305,1399 72.021,1400 0.235,1401 23.382,1402 0.532,1403 134,1404 344.47,1405 146.637,1406 334.531,1407 467.25,1408 314,1409 162,1410 356.543,1411 173.81,1412 360.841,1413 532.59,1414 340,1415 6.545}
{0 CHEMBL54956,1 1.392,2 13.515,3 6.318,4 39.916,5 132.582,6 6.9,7 0.486,8 4.243,9 4.366,10 3.76,11 3.807,12 5.257,13 3.768,14 4.811,15 4.993,16 4.159,17 4.237,18 5.79,19 4.178,20 5.088,21 5.286,22 4.235,23 4.425,24 5.975,25 4.332,26 5.264,27 5.513,28 4.158,29 4.452,30 6.104,31 4.322,32 5.264,33 5.521,34 4.088,35 4.38,36 6.146,37 4.239,38 5.197,39 5.469,40 3.989,41 4.264,42 6.047,43 4.135,44 4.971,45 5.201,46 4.015,47 4.232,48 5.883,49 4.126,50 4.991,51 5.211,52 3.957,53 4.252,54 5.97,55 4.13,56 0.051,57 0.905,58 14.238,59 6.1,60 10.544,61 8.323,62 0.409,63 1.538,64 26.851,65 10.235,66 36.241,67 14.433,68 0.238,69 1.965,70 35.676,71 13.813,72 31.532,73 19.392,74 0.37,75 2.25,76 44.241,77 15.773,78 46.092,79 22.828,80 0.406,81 2.118,82 44.948,83 16.567,84 58.528,85 23.409,86 0.571,87 1.878,88 43.46,89 15.268,90 66.617,91 21.14,92 0.354,93 1.639,94 32.844,95 12.642,96 38.619,97 17.543,98 0.39,99 1.694,100 33.36,101 12.636,102 52.27,103 17.528,104 17,105 54,106 0.221,107 0.532,108 0.737,109 0.837,110 0.873,111 0.879,112 3.532,113 0.945,114 -5.76,115 -5.62,116 -5.24,121 43.8,122 2,123 2,125 1,126 1,127 2,130 1,144 12,145 3,146 3,161 1,176 17,179 2,180 8,183 2,185 2,187 19,192 9,197 3,200 14,206 12,211 3,214 7,218 1,219 14,224 2,227 6,231 1,232 6,237 1,239 12,243 1,244 4,247 1,249 2,251 21,255 1,256 2,259 1,264 21,269 3,277 17,281 2007,282 22.324,283 22.324,284 22.324,285 22.324,286 22.324,287 19.954,288 28.779,289 13.018,290 22.685,291 18.254,292 18.254,293 18.254,294 18.254,295 18.254,296 14.749,297 38.245,298 6.188,299 18.844,300 4.608,301 2.654,302 1.37,303 0.74,304 0.516,305 0.473,306 4.238,312 1,313 981,314 3.808,317 129.054,318 294.873,320 104.804,321 114.74,324 159.063,325 2.47,326 20.819,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 69.5,338 446,339 4.835,340 3.977,341 8.009,342 4.717,343 3.74,344 4.207,345 2.186,346 15.335,347 3.659,348 4.19,349 3.679,350 6.258,351 3.814,352 2.843,353 3.788,354 0.966,355 8.961,356 2.765,357 3.98,358 2.924,359 6.175,360 3.643,361 2.683,362 3.447,363 0.693,364 8.699,365 2.577,366 3.895,367 2.88,368 6.054,369 3.529,370 2.541,371 3.317,372 0.366,373 8.653,374 2.511,375 3.657,376 2.744,377 5.451,378 3.385,379 2.443,380 2.874,382 7.216,383 2.288,384 3.489,385 2.687,386 5.346,387 3.299,388 2.356,389 2.595,391 6.946,392 2.199,393 3.327,394 2.511,395 5,396 2.96,397 1.989,398 2.476,400 5.522,401 1.912,402 2.933,403 1.818,404 4.76,405 2.569,406 1.598,407 2.096,409 4.827,410 1.553,411 2.875,412 1.669,413 4.225,414 2.429,415 1.452,416 2.039,418 3.556,419 1.414,420 2.807,421 1.567,422 4.081,423 2.414,424 1.414,425 1.916,427 3.134,428 1.412,429 2.684,430 1.472,431 3.722,432 2.352,433 1.364,434 1.711,436 3.06,437 1.341,438 2.518,439 1.183,440 3.641,441 2.133,442 1.139,443 1.523,445 2.958,446 1.131,447 2.5,448 1,449 3.595,450 2,451 1,452 1.5,454 2.136,455 1,456 1.876,457 0.943,458 3.247,459 1.777,460 0.799,461 0.848,463 1.924,464 0.78,465 1.65,466 0.797,467 3.213,468 1.507,469 0.54,470 0.584,472 1.351,473 0.52,474 15.867,475 0.481,476 0.891,477 0.027,478 42.25,479 1.28,480 21,481 0.636,482 21.25,483 0.644,484 31.537,485 0.956,486 35.133,487 0.549,488 32.132,489 0.974,490 8.148,491 0.247,492 7.806,493 0.237,494 0.116,495 0.032,496 0.303,501 0.804,502 1.311,503 0.846,504 1.096,505 0.637,506 0.991,507 0.707,508 0.972,509 0.863,510 0.888,511 0.433,512 0.88,513 1.035,514 1.3,515 1.074,516 1.174,517 0.731,518 1.133,519 1.069,520 1.078,521 1.104,522 1.068,523 0.72,524 1.071,525 1.121,526 1.084,527 1.023,528 1.102,529 1.15,530 1.06,531 1.66,532 0.748,533 0.929,534 0.738,535 1.57,536 0.766,537 1.111,538 0.937,539 0.94,540 0.928,541 1.073,542 0.925,543 1.268,544 1.011,545 1.184,546 1.065,547 1.745,548 1.11,549 7,550 0.215,551 4.444,552 3.583,553 2.024,554 1.045,555 0.861,556 0.614,557 0.427,558 0.34,559 16634,560 35841,561 2.123,562 48.4,563 6,564 19,565 1,567 1,569 4,572 1.751,573 1.99,574 3.665,575 -0.442,582 89.059,583 1.392,584 3.346,585 4.63,586 5.26,587 5.484,588 5.527,589 3.169,590 4.802,591 5.008,592 3.874,593 2045.57,594 8.769,595 30649.2,600 384,601 1.521,602 4.972,603 0.189,604 0.007,605 0.082,606 0.064,607 0.041,608 0.024,609 0.021,610 0.014,611 0.01,612 0.01,613 0.462,614 0.33,615 0.75,616 0.522,617 175.917,618 0.011,619 -0.148,620 0.073,621 -0.042,622 -0.034,623 0.011,624 0.296,625 0.159,626 0.102,627 0.107,628 0.225,629 0.089,630 -0.07,631 -0.231,632 -0.112,633 -0.175,634 -0.021,635 -0.154,636 -0.089,637 -0.041,638 -0.115,639 -0.113,640 0.037,641 -0.11,642 0.034,643 -0.128,644 -0.018,645 -0.132,646 0.042,647 -0.086,648 -0.089,649 0.155,650 0.123,651 0.22,652 -0.103,653 0.194,654 0.025,655 0.054,656 0.051,657 0.066,658 0.003,659 0.058,660 -0.093,661 0.011,662 -0.195,663 -0.079,664 -0.185,665 -0.139,666 2.131,667 5.526,668 0.727,669 42.518,670 0.99,671 1.121,672 4.531,673 20.528,674 0.665,675 3.638,676 4.007,677 4.331,678 4.654,679 4.883,680 4.963,681 5.182,682 5.333,683 5.438,684 5.576,685 7.761,686 0.623,687 441.62,688 3.638,689 5.209,690 6.089,691 7.002,692 7.906,693 8.831,694 9.751,695 10.686,696 11.618,697 12.561,698 4.7,701 1,704 1,705 1,715 12,720 6,722 18,736 1,737 1,741 64,743 19,744 3,745 37,747 68,748 28,749 18,750 6,751 12,756 5,757 8,763 2,764 1,766 1,767 1,770 2,772 19,773 9,777 1,782 1,786 1,793 31,794 5,795 1,796 5,802 3,808 0.6,809 2,825 1,828 2,829 3,831 1,832 1,835 1,855 1,859 3,864 3,868 33,876 4,877 1,878 1,880 1,881 2,882 1,893 3.1,896 1,898 1,901 16.583,902 12.317,903 7.097,904 3.91,907 2.989,908 1.353,909 0.985,910 5.898,911 11.445,912 3.871,913 4.449,914 4.975,915 5.509,916 5.993,917 6.071,918 6.41,919 6.715,920 6.936,921 7.221,922 1,923 56,924 12.241,926 5.252,927 0.026,929 7.538,931 24.014,933 20.453,936 2.038,937 67.25,941 353.133,942 176.118,943 24.259,945 36.145,948 176.118,949 389.278,950 24.259,951 26.047,952 27.291,953 113.715,954 25.145,955 37.562,956 18.534,957 341.362,959 353.133,960 200.378,961 36.145,964 306.049,965 83.229,968 48.066,969 152.312,972 353.133,973 60.404,974 176.118,977 353.133,978 36.357,979 146.01,980 18.011,981 36.145,982 353.133,983 60.404,984 176.118,986 0.59,987 0.352,988 0.195,989 0.105,990 28,991 12,992 0.088,993 6,994 2,995 1.167,996 4.423,997 316.544,998 0.167,999 24,1000 160.465,1005 21.998,1006 8.847,1007 4.138,1009 60.404,1010 24.424,1015 6.205,1017 18.011,1018 589.656,1019 47,1024 12.526,1028 -0.465,1031 63.33,1032 71.727,1034 0.232,1035 0.558,1036 0.772,1037 0.877,1038 0.914,1039 0.921,1040 5.145,1041 1.598,1042 6.111,1043 5.522,1044 4.691,1045 5.136,1046 2.466,1047 7.018,1048 4.628,1049 6.352,1050 1.452,1051 7.732,1052 4.827,1053 4.443,1054 4.913,1055 1.905,1056 8.318,1057 4.349,1058 7.674,1059 1.414,1060 9.474,1061 3.556,1062 6.399,1063 7.251,1064 3.531,1065 11.488,1066 6.277,1067 9.033,1068 1.364,1069 11.296,1070 3.134,1071 7.022,1072 7.811,1073 3.612,1074 13.74,1075 6.879,1076 10.429,1077 1.139,1078 13.176,1079 3.06,1080 8.496,1081 9.663,1082 4.913,1083 16.56,1084 8.332,1085 11.854,1086 1,1087 15.101,1088 2.958,1089 9.516,1090 10.602,1091 5.293,1092 19.148,1093 9.336,1094 13.302,1095 0.799,1096 17.059,1097 2.136,1098 10.847,1099 12.239,1100 6.388,1101 21.895,1102 10.647,1103 3.74,1104 0.54,1105 19.044,1106 1.924,1107 12.04,1108 13.383,1109 6.931,1110 24.584,1111 11.823,1112 2.843,1113 15.335,1114 21.051,1115 1.351,1116 13.34,1117 14.913,1118 7.902,1119 27.318,1120 13.105,1121 2.683,1122 8.961,1123 23.074,1124 4.207,1125 14.605,1126 16.173,1127 8.539,1128 30.036,1129 14.351,1130 2.541,1131 8.699,1132 25.111,1133 3.788,1134 15.906,1135 17.647,1136 9.436,1137 32.767,1138 15.633,1139 2.443,1140 8.653,1141 27.158,1142 3.447,1143 17.201,1144 18.975,1145 10.13,1146 35.493,1147 16.907,1148 2.356,1149 7.216,1150 29.213,1151 3.317,1152 18.508,1153 20.422,1154 10.981,1155 38.223,1156 18.194,1157 1.989,1158 6.946,1159 31.273,1160 2.874,1161 19.815,1162 21.79,1163 11.71,1164 40.952,1165 19.48,1166 15485,1167 22888,1168 24.849,1169 42.586,1170 56.609,1171 57.362,1172 58.307,1173 56.173,1174 56.154,1175 70.255,1176 8.422,1177 169.416,1178 54.456,1179 5.801,1180 5.977,1181 7.811,1182 5.808,1183 5.74,1184 7.207,1185 3.889,1186 23.869,1187 5.659,1188 14.973,1189 1.53,1190 1.55,1191 1.576,1192 1.518,1193 1.518,1194 1.899,1195 0.228,1196 4.579,1197 1.472,1198 4.102,1199 4.14,1200 4.047,1201 4.005,1202 7.435,1203 4.01,1204 3.927,1205 3.96,1206 3.864,1207 3.86,1208 4.847,1209 3.855,1210 3.908,1211 3.94,1212 3.833,1213 3.848,1214 4.749,1215 3.841,1216 3.698,1217 3.739,1218 3.617,1219 3.567,1220 4.744,1221 3.57,1222 3.414,1223 3.459,1224 3.346,1225 3.231,1226 4.43,1227 3.221,1228 3.344,1229 3.416,1230 3.186,1231 3.109,1232 4.127,1233 3.144,1234 3.259,1235 3.332,1236 3.101,1237 3.033,1238 3.939,1239 3.031,1240 3.169,1241 3.256,1242 2.963,1243 2.991,1244 3.913,1245 2.99,1246 0.131,1247 0.107,1248 0.216,1249 0.127,1250 0.101,1251 4.835,1252 0.114,1253 3.977,1254 0.059,1255 8.009,1256 0.414,1257 4.717,1258 0.099,1259 3.74,1260 4.207,1261 2.186,1262 15.335,1263 3.659,1264 1.922,1265 1.894,1266 2.058,1267 2.023,1268 1.31,1269 2.031,1270 1.919,1271 1.89,1272 2.036,1273 2.012,1274 1.26,1275 2.024,1276 1.897,1277 1.873,1278 2.002,1279 1.977,1280 1.135,1281 1.986,1282 1.635,1283 1.579,1284 1.831,1285 1.826,1286 1.043,1287 1.83,1288 1.559,1289 1.489,1290 1.788,1291 1.753,1292 1.009,1293 1.773,1294 1.298,1295 1.235,1296 1.601,1297 1.574,1298 0.786,1299 1.565,1300 1.212,1301 1.15,1302 1.553,1303 1.466,1304 0.633,1305 1.47,1306 1.188,1307 1.122,1308 1.515,1309 1.418,1310 0.604,1311 1.454,1312 4.317,1314 5.673,1315 3.045,1316 7.228,1317 5.638,1318 8.878,1319 7.928,1320 10.586,1322 6.492,1328 4.231,1329 2.851,1330 5.677,1332 0.312,1333 4.989,1334 0.007,1340 39.869,1341 89.059,1342 214.147,1343 296.351,1344 336.616,1345 350.98,1346 353.735,1347 50.151,1348 8.457,1349 44.81,1350 44.81,1351 28,1352 13.057,1353 4.322,1354 3.459,1355 47.968,1356 151,1357 158,1358 0.154,1359 241.49,1360 422.64,1361 580.997,1362 62275,1364 23.001,1365 0.697,1366 0.592,1367 23.001,1368 19.545,1369 15.953,1370 0.431,1371 0.315,1372 11.535,1373 15.508,1374 11.138,1375 9.257,1376 15.953,1377 11.654,1378 14.819,1379 0.274,1380 0.175,1381 14.819,1382 9.432,1383 12.825,1384 0.171,1385 0.097,1386 12.825,1387 7.287,1388 11.167,1389 0.107,1390 0.053,1391 11.167,1392 5.559,1393 9.039,1394 0.069,1395 0.03,1396 9.039,1397 3.891,1398 0.244,1399 98.719,1400 0.201,1401 30.915,1402 0.415,1403 182,1404 435.094,1405 195.692,1406 426.96,1407 599.92,1408 402,1409 220,1410 457.444,1411 234.142,1412 467.094,1413 688.24,1414 439,1415 6.26}
{0 CHEMBL55014,1 1.315,2 12.417,3 3.699,4 13.684,5 99.094,6 6.45,7 0.462,8 3.966,9 4.101,10 3.413,11 3.536,12 4.926,13 3.475,14 4.533,15 4.73,16 3.697,17 3.93,18 5.425,19 3.828,20 4.85,21 5.103,22 3.698,23 4.069,24 5.645,25 3.915,26 4.914,27 5.202,28 3.545,29 3.979,30 5.685,31 3.796,32 4.804,33 5.101,34 3.464,35 3.873,36 5.563,37 3.702,38 4.682,39 4.959,40 3.38,41 3.841,42 5.433,43 3.663,44 4.639,45 4.918,46 3.292,47 3.773,48 5.406,49 3.586,50 4.496,51 4.768,52 3.188,53 3.65,54 5.297,55 3.468,56 0.052,57 0.694,58 11.639,59 4.905,60 6.885,61 6.953,62 0.192,63 1.155,64 21.052,65 8.092,66 18.873,67 11.788,68 0.193,69 1.455,70 29.013,71 11.223,72 26.712,73 16.317,74 0.26,75 1.461,76 31.329,77 11.346,78 35.74,79 16.674,80 0.264,81 1.312,82 28.177,83 9.851,84 34.475,85 14.629,86 0.22,87 1.186,88 24.636,89 9.44,90 23.631,91 13.664,92 0.176,93 1.091,94 23.519,95 9.371,96 26.19,97 13.337,98 0.216,99 0.961,100 20.45,101 7.949,102 27.609,103 11.415,104 2,105 33,106 0.224,107 0.502,108 0.645,109 0.752,110 0.81,111 0.817,112 3.227,113 1.028,114 -4.78,115 -4.69,116 -4.41,121 42,123 3,124 1,127 4,144 10,145 2,160 1,176 15,180 4,183 1,185 2,187 15,192 5,197 3,200 6,206 6,211 4,214 3,219 3,224 1,227 8,232 2,235 1,239 13,251 13,255 1,256 1,261 1,264 8,269 2,274 2,277 3,281 860,282 16.621,283 16.621,284 16.621,285 16.621,286 16.621,287 15.027,288 16.165,289 10.341,290 16.768,291 12.877,292 12.877,293 12.877,294 12.877,295 12.877,296 10.593,297 18.921,298 4.976,299 13.083,300 4.329,301 2.691,302 1.85,303 1.22,304 0.88,305 0.84,306 3.916,310 1,311 1,312 1,313 640,314 3,318 272.529,325 2.132,326 13.577,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 50,338 298,339 4.141,340 3.555,341 6.018,342 3.793,343 2.787,344 3.67,345 1.058,346 8.538,347 2.798,348 3.941,349 3.018,350 5.616,351 3.687,352 2.723,353 3.457,354 0.916,355 7.788,356 2.632,357 3.606,358 2.564,359 5.331,360 3.469,361 2.471,362 2.643,363 0.172,364 6.948,365 2.466,366 3.295,367 2.249,368 4.954,369 3.042,370 2.089,371 2.547,373 5.868,374 1.982,375 3.169,376 2.182,377 4.313,378 2.831,379 1.835,380 2.241,382 4.273,383 1.822,384 2.827,385 1.553,386 3.6,387 2.424,388 1.429,389 1.93,391 3.05,392 1.421,393 2.623,394 1.472,395 3.542,396 2.266,397 1.292,398 1.636,400 2.838,401 1.255,402 2.5,403 1.323,404 3.414,405 2,406 1,407 1.5,409 2.275,410 1,411 2.5,412 1.077,413 3.247,414 2,415 1,416 1.5,418 2.136,419 1,420 2.132,421 1,422 3.247,423 1.984,424 1,425 1.033,427 2.136,428 0.983,429 2,430 1,431 3.228,432 1.879,433 0.861,434 1,436 1.957,437 0.87,438 1.327,439 0.494,440 2.815,441 1.171,442 0.193,443 0.21,445 0.464,446 0.188,447 0.97,448 0.19,449 2.463,450 0.758,451 -0.229,452 -0.256,454 -0.55,455 -0.224,456 0.748,457 -0.314,458 2,459 0.337,460 -0.652,461 -0.735,463 -1.439,464 -0.644,465 0.569,466 -0.589,467 1.865,468 0.278,469 -0.76,470 -1,472 -1.619,473 -0.782,474 11.633,475 0.485,476 0.362,477 0.015,478 28,479 1.167,480 13.5,481 0.563,482 14.5,483 0.604,484 19.884,485 0.828,486 26.167,487 0.523,488 17.545,489 0.731,490 5.444,491 0.227,492 6.366,493 0.265,494 0.029,496 0.206,501 0.748,502 1.288,503 0.937,504 1.116,505 0.549,506 1.049,507 0.907,508 1.146,509 1.109,510 1.099,511 0.562,512 1.106,513 0.913,514 1.147,515 1.057,516 1.124,517 0.738,518 1.102,519 1.2,520 1.046,521 1.01,522 0.998,523 1.15,524 0.99,525 1.323,526 0.855,527 0.961,528 0.819,529 1.2,530 0.849,531 1.01,532 0.877,533 1.055,534 0.976,535 0.997,536 1.009,537 1.062,538 0.958,539 0.992,540 1.006,541 1.358,542 1.004,543 1.049,544 0.938,545 1.038,546 0.981,547 1.35,548 1.012,549 3.5,550 0.07,551 1.778,552 0.875,553 0.644,554 0.313,555 0.362,556 0.214,557 0.082,558 0.068,559 7796,560 16473,561 2.114,562 52,563 1,564 18,567 1,569 6,572 1.659,573 2.057,574 3.605,575 -0.424,577 1,582 65.743,583 1.315,584 2.953,585 3.794,586 4.423,587 4.764,588 4.804,589 3.074,590 4.002,591 4.557,592 3.774,593 1041.76,594 7.811,595 13294.1,597 1,599 1,600 282.193,601 0.974,602 4.551,603 0.135,604 0.005,605 0.054,606 0.028,607 0.026,608 0.013,609 0.016,610 0.011,611 0.005,612 0.004,613 0.297,614 0.5,615 1,616 0.382,617 118.443,618 0.01,619 -0.09,620 0.05,621 -0.01,622 0.017,623 0.017,624 0.028,625 -0.007,626 -0.114,627 -0.076,628 0.059,629 -0.1,630 -0.023,631 -0.138,632 -0.081,633 -0.134,634 0.047,635 -0.114,636 -0.04,637 -0.099,638 -0.018,639 -0.057,640 0.002,641 -0.04,642 -0.096,643 0.106,644 0.041,645 0.104,646 -0.062,647 0.088,648 -0.042,649 0.1,650 -0.077,651 -0.009,652 -0.088,653 -0.038,654 -0.041,655 -0.042,656 -0.02,657 -0.02,658 -0.107,659 -0.021,660 0.034,661 0.006,662 -0.057,663 -0.002,664 -0.111,665 -0.036,666 1.628,667 5.022,668 0.75,669 25.153,670 0.983,671 1.124,672 3.549,673 12.597,674 0.652,675 3.296,676 3.526,677 3.714,678 3.871,679 4.043,680 3.892,681 3.97,682 4.007,683 4.043,684 4.078,685 7.303,686 0.602,687 322.49,688 3.296,689 4.779,690 5.58,691 6.399,692 7.21,693 8.032,694 8.847,695 9.669,696 10.486,697 11.309,698 4,701 1,705 1,715 10,720 2,722 12,729 1,741 50,743 13,744 2,745 26,747 52,748 21,749 12,750 2,751 10,752 1,756 3,757 3,767 2,768 1,770 3,772 13,773 8,774 1,777 1,782 1,786 1,789 1,790 1,793 26,794 3,795 1,796 3,802 2,808 1,809 1,829 3,855 1,859 3,868 24,876 7,877 1,880 1,881 1,893 2,896 1,901 11.667,902 8.533,903 5.444,904 3.189,907 1.816,908 1.268,909 0.97,910 6.168,911 8.6,912 3.526,913 3.97,914 4.401,915 4.806,916 5.22,917 4.917,918 5.087,919 5.051,920 5.15,921 5.277,922 1,923 31,924 8.915,926 3.668,927 0.026,929 7.514,931 17.694,933 14.576,936 2.014,937 48.333,938 0.001,939 1,940 1,941 294.278,942 121.865,943 21.135,945 25.145,948 121.865,949 319.422,950 21.135,952 34.037,953 94.762,954 29.85,955 9.495,957 294.278,959 294.278,960 143,961 25.145,964 223.651,965 95.772,968 37.161,969 105.838,972 294.278,973 46.28,974 121.865,977 294.278,978 27.102,979 97.887,980 18.011,981 25.145,982 294.278,983 46.28,984 121.865,986 0.559,987 0.314,988 0.163,989 0.088,990 14,991 5,992 0.115,993 6,995 1,996 3.902,997 175.084,999 18,1000 98.039,1005 16.881,1006 8.769,1007 5.284,1009 46.28,1010 20.133,1015 2.14,1017 18.011,1018 462.422,1019 33,1024 12.022,1028 0.039,1031 49.134,1032 56.188,1034 0.233,1035 0.523,1036 0.672,1037 0.784,1038 0.844,1039 0.851,1040 4.71,1041 1,1042 5.493,1043 2.838,1044 4.205,1045 4.654,1046 1.557,1047 6.163,1048 4.175,1049 5.825,1050 1,1051 6.957,1052 2.275,1053 3.434,1054 3.951,1055 0.325,1056 6.742,1057 3.396,1058 7.053,1059 1,1060 8.519,1061 2.136,1062 5.659,1063 6.601,1064 1.496,1065 9.788,1066 5.6,1067 8.31,1068 0.861,1069 10.139,1070 2.136,1071 5.74,1072 6.721,1073 0.393,1074 11.224,1075 5.68,1076 9.6,1077 0.193,1078 11.799,1079 1.957,1080 7.361,1081 8.829,1082 1.507,1083 13.709,1084 7.279,1085 10.912,1086 -0.229,1087 13.486,1088 0.464,1089 7.865,1090 9.372,1091 0.384,1092 15.505,1093 7.787,1094 12.242,1095 -0.652,1096 15.191,1097 -0.55,1098 9.191,1099 11.2,1100 1.547,1101 17.774,1102 9.093,1103 2.787,1104 -0.76,1105 16.91,1106 -1.439,1107 9.924,1108 11.991,1109 0.351,1110 19.737,1111 9.83,1112 2.723,1113 8.538,1114 18.64,1115 -1.619,1116 11.096,1117 13.646,1118 1.603,1119 21.917,1120 10.986,1121 2.471,1122 7.788,1123 20.377,1124 3.67,1125 11.955,1126 14.595,1127 0.312,1128 23.961,1129 11.846,1130 2.089,1131 6.948,1132 22.12,1133 3.457,1134 13.047,1135 16.136,1136 1.67,1137 26.106,1138 12.927,1139 1.835,1140 5.868,1141 23.869,1142 2.643,1143 13.975,1144 17.191,1145 0.273,1146 28.189,1147 13.854,1148 1.429,1149 4.273,1150 25.621,1151 2.547,1152 15.027,1153 18.654,1154 1.744,1155 30.321,1156 14.897,1157 1.292,1158 3.05,1159 27.378,1160 2.241,1161 15.992,1162 19.781,1163 0.236,1164 32.426,1165 15.861,1166 7420,1167 10870,1168 17.97,1169 32.603,1170 37.657,1171 38.284,1172 37.725,1173 37.368,1174 37.358,1175 46.733,1176 4.294,1177 96.539,1178 36.83,1179 5.141,1180 5.555,1181 5.82,1182 4.828,1183 4.787,1184 6.67,1185 2.117,1186 14.422,1187 4.798,1188 6.2,1189 1.448,1190 1.472,1191 1.451,1192 1.437,1193 1.437,1194 1.797,1195 0.165,1196 3.713,1197 1.417,1198 3.975,1199 4.023,1200 3.89,1201 3.884,1202 7.429,1203 3.88,1204 3.909,1205 3.938,1206 3.842,1207 3.84,1208 4.761,1209 3.836,1210 3.821,1211 3.868,1212 3.706,1213 3.721,1214 4.725,1215 3.71,1216 3.523,1217 3.598,1218 3.4,1219 3.312,1220 4.335,1221 3.321,1222 3.262,1223 3.321,1224 3.15,1225 3.07,1226 4.093,1227 3.082,1228 3.111,1229 3.206,1230 2.895,1231 2.941,1232 3.775,1233 2.91,1234 3.058,1235 3.116,1236 2.866,1237 2.909,1238 3.674,1239 2.899,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.159,1247 0.137,1248 0.231,1249 0.146,1250 0.107,1251 4.141,1252 0.141,1253 3.555,1254 0.041,1255 6.018,1256 0.328,1257 3.793,1258 0.108,1259 2.787,1260 3.67,1261 1.058,1262 8.538,1263 2.798,1264 1.935,1265 1.897,1266 2.101,1267 2.07,1268 1.481,1269 2.084,1270 1.904,1271 1.878,1272 2.025,1273 1.999,1274 1.164,1275 2.007,1276 1.835,1277 1.785,1278 2.006,1279 1.947,1280 1.08,1281 1.97,1282 1.482,1283 1.407,1284 1.736,1285 1.722,1286 0.989,1287 1.731,1288 1.213,1289 1.155,1290 1.513,1291 1.447,1292 0.825,1293 1.452,1294 1.153,1295 1.064,1296 1.465,1297 1.376,1298 0.682,1299 1.429,1300 1.049,1301 0.999,1302 1.275,1303 1.258,1304 0.421,1305 1.273,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.258,1311 1.107,1312 3.97,1314 5.22,1316 6.666,1318 8.189,1320 9.748,1328 7.688,1329 3.045,1332 0.73,1333 2.536,1340 30.079,1341 65.743,1342 147.641,1343 189.689,1344 221.173,1345 238.193,1346 240.193,1347 36.537,1348 6.783,1349 32.34,1350 32.34,1351 18,1352 11.889,1353 3.807,1354 3,1355 39.715,1356 106,1357 88,1358 0.178,1359 187.122,1360 325.29,1361 448.339,1362 8384,1364 16.615,1365 0.692,1366 0.59,1367 16.615,1368 14.156,1369 11.81,1370 0.454,1371 0.343,1372 8.84,1373 11.57,1374 8.645,1375 7.192,1376 11.81,1377 8.906,1378 9.933,1379 0.301,1380 0.2,1381 9.933,1382 6.616,1383 8.084,1384 0.202,1385 0.121,1386 8.084,1387 4.83,1388 6.318,1389 0.134,1390 0.071,1391 6.318,1392 3.356,1393 5.024,1394 0.09,1395 0.044,1396 5.024,1397 2.437,1398 0.294,1399 72.502,1400 0.236,1401 24.403,1402 0.453,1403 118,1404 269.714,1405 124.017,1406 267.889,1407 364.66,1408 252,1409 132,1410 259.439,1411 138.323,1412 267.374,1413 383.4,1414 252,1415 6.252}
{0 CHEMBL550989,1 1.549,2 10.154,3 5.346,4 28.583,5 100.197,6 8.36,7 0.586,8 3.895,9 3.98,10 3.568,11 3.515,12 5.004,13 3.494,14 4.436,15 4.567,16 3.956,17 3.905,18 5.566,19 3.869,20 4.666,21 4.838,22 4.059,23 4.032,24 5.751,25 3.984,26 4.641,27 4.793,28 3.983,29 3.985,30 5.797,31 3.947,32 4.6,33 4.743,34 3.946,35 4.01,36 5.697,37 3.957,38 4.71,39 4.89,40 3.944,41 4.034,42 5.809,43 3.935,44 4.684,45 4.909,46 3.775,47 3.919,48 5.598,49 3.785,50 4.531,51 4.761,52 3.619,53 3.633,54 5.559,55 3.505,56 0.029,57 0.543,58 7.225,59 4.106,60 5.555,61 4.865,62 0.26,63 0.917,64 15.666,65 7.173,66 26.121,67 8.529,68 0.28,69 1.155,70 24.054,71 9.278,72 32.509,73 11.246,74 0.412,75 1.139,76 22.254,77 8.325,78 45.59,79 9.448,80 0.232,81 1.109,82 17.761,83 8.253,84 31.817,85 9.722,86 0.52,87 1.207,88 22.888,89 9.823,90 46.94,91 12.577,92 0.207,93 1.156,94 25.127,95 10.423,96 29.192,97 13.652,98 0.488,99 0.933,100 27.412,101 8.664,102 53.365,103 10.427,104 13,105 41,106 0.266,107 0.613,108 0.769,109 0.846,110 0.857,111 0.857,112 3.305,113 0.939,114 -5.25,115 -5.14,116 -4.8,121 47.7,122 1,123 2,127 2,144 7,145 4,146 2,148 2,160 1,176 10,179 1,180 10,187 13,192 11,200 11,205 1,206 12,214 13,219 3,227 16,231 4,232 5,239 17,244 2,251 8,256 7,264 6,269 4,277 3,281 908,282 17.87,283 17.87,284 17.87,285 17.87,286 17.87,287 15.805,288 13.488,289 10.581,290 18.372,291 14.29,292 14.29,293 14.29,294 14.29,295 14.29,296 11.005,297 11.413,298 4.95,299 15.044,300 3.91,301 1.894,302 0.981,303 0.534,304 0.472,305 0.472,306 4.005,308 1,311 1,312 1,313 571,314 3,318 218.472,322 170.672,325 1.793,326 25.925,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 55.833,338 264,339 4.69,340 3.663,341 6.908,342 4.258,343 3.283,344 4.614,345 1.674,346 11.64,347 3.2,348 4.221,349 3.417,350 6.28,351 3.838,352 2.846,353 3.845,354 0.86,355 9.413,356 2.817,357 3.993,358 2.949,359 5.969,360 3.598,361 2.625,362 3.49,364 8.353,365 2.548,366 3.745,367 2.688,368 5.64,369 3.316,370 2.356,371 3.177,373 7.359,374 2.258,375 3.581,376 2.543,377 5.096,378 3.126,379 2.225,380 2.966,382 6.156,383 1.949,384 3.075,385 1.962,386 4.759,387 2.624,388 1.669,389 2.303,391 4.95,392 1.564,393 2.902,394 1.914,395 4.228,396 2.489,397 1.548,398 1.984,400 3.851,401 1.438,402 2.612,403 1.776,404 3.956,405 2.388,406 1.445,407 1.632,409 3.261,410 1.342,411 2.5,412 1.677,413 3.728,414 2,415 1,416 1.5,418 2.543,419 1,420 2.317,421 1.236,422 3.555,423 1.963,424 1,425 1.273,427 2.309,428 0.956,429 2.096,430 1.023,431 3.414,432 1.878,433 0.938,434 1.046,436 2.275,437 0.866,438 2.039,439 1,440 3.019,441 1.753,442 0.784,443 0.936,445 1.381,446 0.745,447 1.366,448 0.399,449 2.795,450 0.922,451 -0.011,452 -0.014,454 -0.027,455 -0.009,456 1.012,457 0.282,458 2.604,459 0.548,460 -0.346,461 -0.43,463 -0.765,464 -0.267,465 0.918,466 -0.07,467 2.327,468 0.507,469 -0.425,470 -0.53,472 -0.987,473 -0.396,474 12.614,475 0.485,476 0.589,477 0.023,478 34.5,479 1.327,480 18,481 0.692,482 16.5,483 0.635,484 21.057,485 0.81,486 26.986,487 0.613,488 24.967,489 0.96,490 6.638,491 0.255,492 6.031,493 0.232,494 0.123,496 0.357,501 0.691,502 1.109,503 0.587,504 0.951,505 0.582,506 0.864,507 0.881,508 1.028,509 0.68,510 0.86,511 0.585,512 0.842,513 1.041,514 1.016,515 0.849,516 0.887,517 0.758,518 0.828,519 1.384,520 0.961,521 0.998,522 0.897,523 1.46,524 0.923,525 1.05,526 1.128,527 0.796,528 1.026,529 1.235,530 1.061,531 0.537,532 1.054,533 0.787,534 1.076,535 0.532,536 1.136,537 0.653,538 1.141,539 0.788,540 1.1,541 0.693,542 1.101,543 1.344,544 0.866,545 1.192,546 0.929,547 1.468,548 0.959,549 4.5,550 0.07,551 3.333,552 1.625,553 1.693,554 1.007,555 0.623,556 0.438,557 0.324,558 0.137,559 7361,560 21844,561 2.124,562 40.9,563 2,564 11,569 5,572 1.695,573 2,574 3.28,575 -0.798,582 68.163,583 1.549,584 3.565,585 4.478,586 4.925,587 4.988,588 4.988,589 2.903,590 4.316,591 4.664,592 3.407,593 1107.13,594 8.112,595 13173.7,600 240.215,601 1.37,602 4.637,603 0.155,604 0.007,605 0.081,606 0.036,607 0.04,608 0.025,609 0.017,610 0.015,611 0.015,612 0.009,613 0.401,614 0.33,615 1,616 1.083,617 124.87,618 -0.013,619 -0.08,620 0.033,621 -0.038,622 -0.039,623 0.009,624 0.047,625 -0.016,626 0.063,627 0.071,628 0.1,629 0.064,630 -0.081,631 -0.006,632 0.05,633 0.067,634 0.03,635 0.118,636 -0.203,637 0.1,638 -0.166,639 0.015,640 -0.192,641 -0.04,642 -0.151,643 -0.091,644 -0.146,645 -0.121,646 -0.184,647 -0.166,648 0.278,649 -0.059,650 -0.028,651 -0.132,652 0.174,653 -0.175,654 0.056,655 -0.203,656 0.092,657 -0.109,658 0.008,659 -0.063,660 -0.088,661 0.068,662 0.034,663 0.093,664 -0.14,665 0.065,666 1.999,667 5.081,668 0.769,669 23.68,670 1.008,671 1.109,672 4.017,673 16.136,674 0.706,675 3.401,676 3.738,677 4.06,678 4.369,679 4.71,680 4.86,681 5.063,682 5.247,683 5.394,684 5.384,685 5.74,686 0.676,687 367.85,688 3.401,689 4.949,690 5.82,691 6.715,692 7.612,693 8.519,694 9.427,695 10.34,696 11.253,697 12.169,698 2.3,708 1,714 2,715 7,716 1,720 6,722 17,732 1,739 1,740 1,741 44,743 18,744 2,745 29,747 47,748 21,749 15,750 5,751 7,752 1,756 4,757 7,758 1,763 1,767 2,770 2,772 16,773 5,777 1,782 1,786 1,793 18,794 4,796 5,797 1,802 1,808 0.5,809 3,822 1,829 4,833 2,859 2,864 1,865 1,868 26,876 4,878 2,892 1,893 6.8,896 1,898 2,901 13,902 8.426,903 5.75,904 2.927,907 3.369,908 1.436,909 1.004,910 4.729,911 11.105,912 3.676,913 4.317,914 4.978,915 5.624,916 6.305,917 6.749,918 7.256,919 7.739,920 8.206,921 8.451,922 1,923 45,924 9.621,926 4.135,927 0.026,929 7.735,931 18.412,933 15.295,936 2.235,937 58.111,941 211.88,942 122.379,943 16.786,944 39.149,945 47.145,948 122.379,949 298.173,950 16.786,951 8.825,952 14.254,953 66.334,954 49.122,955 47.774,957 211.88,958 39.149,959 211.88,960 139.164,961 47.145,962 39.149,964 153.024,965 106,968 27.98,969 94.399,970 55.934,972 211.88,973 63.93,974 161.527,977 211.88,978 47.22,979 75.159,981 103.079,982 211.88,983 63.93,984 161.527,986 0.577,987 0.345,988 0.193,989 0.115,990 21,991 9,992 0.085,993 4,994 2,995 1.2,996 3.707,997 231.776,998 0.2,999 20,1000 118.211,1005 17.169,1006 7.161,1007 3.271,1008 1.645,1009 63.93,1010 13.075,1011 4.86,1015 5.014,1018 437.337,1019 38.5,1024 12.081,1028 -0.333,1031 44.36,1032 48.807,1034 0.284,1035 0.653,1036 0.82,1037 0.902,1038 0.914,1039 0.914,1040 4.914,1041 1.445,1042 5.808,1043 3.851,1044 4.419,1045 5.004,1046 2.09,1047 6.655,1048 4.335,1049 6.134,1050 1,1051 7.386,1052 3.261,1053 4.007,1054 4.902,1056 7.627,1057 3.887,1058 7.459,1059 1,1060 9.067,1061 2.543,1062 6.038,1063 7.287,1064 2.88,1065 10.771,1066 5.903,1067 8.824,1068 0.938,1069 10.81,1070 2.309,1071 6.463,1072 8.021,1074 12.586,1075 6.308,1076 10.224,1077 0.784,1078 12.593,1079 2.275,1080 7.957,1081 9.885,1082 3.826,1083 15.255,1084 7.786,1085 11.647,1086 -0.011,1087 14.403,1088 1.381,1089 8.773,1090 11.012,1092 17.422,1093 8.584,1094 13.089,1095 -0.346,1096 16.233,1097 -0.027,1098 10.053,1099 12.667,1100 4.83,1101 19.935,1102 9.848,1103 3.283,1104 -0.425,1105 18.078,1106 -0.765,1107 11.056,1108 13.991,1110 22.256,1111 10.831,1112 2.846,1113 11.64,1114 19.935,1115 -0.987,1116 12.256,1117 15.559,1118 5.852,1119 24.719,1120 12.011,1121 2.625,1122 9.413,1123 21.801,1124 4.614,1125 13.347,1126 16.983,1128 27.109,1129 13.08,1130 2.356,1131 8.353,1132 23.676,1133 3.845,1134 14.521,1135 18.518,1136 6.88,1137 29.558,1138 14.231,1139 2.225,1140 7.359,1141 25.557,1142 3.49,1143 15.655,1144 19.991,1146 31.979,1147 15.341,1148 1.669,1149 6.156,1150 27.444,1151 3.177,1152 16.824,1153 21.515,1154 7.91,1155 34.426,1156 16.486,1157 1.548,1158 4.95,1159 29.336,1160 2.966,1161 17.98,1162 23.014,1164 36.863,1165 17.616,1166 7102,1167 12339,1168 19.592,1169 31.08,1170 43.755,1171 45.257,1172 45.241,1173 43.619,1174 43.439,1175 57.532,1176 5.069,1177 126.98,1178 41.367,1179 5.636,1180 5.663,1181 6.677,1182 5.342,1183 5.283,1184 7.614,1185 3.349,1186 19.261,1187 5.2,1188 11.609,1189 1.509,1190 1.561,1191 1.56,1192 1.504,1193 1.498,1194 1.984,1195 0.175,1196 4.379,1197 1.426,1198 4.128,1199 4.146,1200 4.112,1201 4.058,1202 7.433,1203 4.065,1204 3.868,1205 3.887,1206 3.952,1207 3.824,1208 5.031,1209 3.815,1210 3.699,1211 3.731,1212 3.645,1213 3.576,1214 4.898,1215 3.576,1216 3.531,1217 3.583,1218 3.405,1219 3.311,1220 4.531,1221 3.32,1222 3.306,1223 3.354,1224 3.346,1225 3.167,1226 4.46,1227 3.158,1228 3.064,1229 3.084,1230 3.104,1231 2.903,1232 4.354,1233 2.913,1234 2.99,1235 3.029,1236 2.897,1237 2.881,1238 4.081,1239 2.876,1240 2.854,1241 2.925,1242 2.841,1243 2.735,1244 3.711,1245 2.715,1246 0.162,1247 0.126,1248 0.238,1249 0.147,1250 0.113,1251 4.69,1252 0.159,1253 3.663,1254 0.058,1255 6.908,1256 0.401,1257 4.258,1258 0.11,1259 3.283,1260 4.614,1261 1.674,1262 11.64,1263 3.2,1264 2.075,1265 2.059,1266 2.135,1267 2.16,1268 1.356,1269 2.153,1270 1.863,1271 1.845,1272 1.95,1273 1.93,1274 1.121,1275 1.943,1276 1.677,1277 1.642,1278 1.878,1279 1.84,1280 1.062,1281 1.851,1282 1.484,1283 1.423,1284 1.798,1285 1.732,1286 0.937,1287 1.753,1288 1.279,1289 1.235,1290 1.424,1291 1.447,1292 0.639,1293 1.44,1294 0.998,1295 0.969,1296 1.216,1297 1.222,1298 0.384,1299 1.217,1300 0.96,1301 0.932,1302 1.194,1303 1.156,1304 0.245,1305 1.17,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 4.078,1314 5.407,1316 6.956,1318 8.607,1320 10.316,1322 1.796,1323 6.021,1328 2.841,1330 11.112,1340 29.735,1341 68.163,1342 156.858,1343 197.054,1344 216.705,1345 219.46,1346 219.46,1347 40.173,1348 7.735,1349 48.42,1350 48.42,1351 24,1352 12.681,1353 4.248,1354 3.392,1355 37.845,1356 90,1357 104,1358 0.217,1359 183.405,1360 318.54,1361 439.269,1362 22640,1363 2.3,1364 18.096,1365 0.696,1366 0.584,1367 18.596,1368 15.176,1369 12.669,1370 0.437,1371 0.313,1372 8.63,1373 11.957,1374 8.406,1375 6.909,1376 12.958,1377 9.074,1378 11.295,1379 0.275,1380 0.161,1381 11.703,1382 6.616,1383 9.853,1384 0.173,1385 0.083,1386 10.142,1387 4.732,1388 8.359,1389 0.107,1390 0.044,1391 8.526,1392 3.407,1393 7.364,1394 0.067,1395 0.024,1396 7.578,1397 2.603,1398 0.33,1399 81.992,1400 0.226,1401 24.63,1402 0.627,1403 140,1404 423.055,1405 166.984,1406 432.146,1407 586.9,1408 406,1409 168,1410 411.225,1411 189.226,1412 423.249,1413 629.53,1414 401,1415 5}
{0 CHEMBL552746,1 1.412,2 21.583,3 10.016,4 100.322,5 195.124,6 7.111,7 0.519,8 4.607,9 4.729,10 4.145,11 4.211,12 5.573,13 4.159,14 5.191,15 5.368,16 4.508,17 4.638,18 6.109,19 4.552,20 5.509,21 5.745,22 4.608,23 4.789,24 6.366,25 4.679,26 5.51,27 5.744,28 4.58,29 4.771,30 6.395,31 4.66,32 5.504,33 5.732,34 4.56,35 4.803,36 6.357,37 4.681,38 5.581,39 5.82,40 4.511,41 4.822,42 6.414,43 4.673,44 5.588,45 5.851,46 4.364,47 4.762,48 6.355,49 4.576,50 5.497,51 5.782,52 4.201,53 4.611,54 6.277,55 4.406,56 0.075,57 1.279,58 20.224,59 9.106,60 9.29,61 12.394,62 0.256,63 2.185,64 39.041,65 16.187,66 27.684,67 22.358,68 0.435,69 2.859,70 58.786,71 21.706,72 52.38,73 30.446,74 0.63,75 2.89,76 58.558,77 20.753,78 64.884,79 29.263,80 0.405,81 2.875,82 55.969,83 21.651,84 50.527,85 30.387,86 0.537,87 2.989,88 62.543,89 23.889,90 62.376,91 33.223,92 0.488,93 2.905,94 66.586,95 25.032,96 58.834,97 34.875,98 0.722,99 2.591,100 64.646,101 23.131,102 74.558,103 32.492,104 5,105 74,106 0.207,107 0.503,108 0.691,109 0.843,110 0.878,111 0.888,112 3.894,113 1.015,114 -6.69,115 -6.51,116 -6.03,121 44.1,123 13,127 3,144 11,145 6,146 3,148 4,160 1,176 24,180 12,183 1,185 5,187 29,192 11,197 5,200 22,205 1,206 12,209 1,211 7,214 24,219 9,224 5,227 28,232 8,237 5,239 34,244 3,251 30,255 2,256 3,259 2,260 1,261 1,264 26,269 2,274 1,277 19,281 5558,282 33.465,283 33.465,284 33.465,285 33.465,286 33.465,287 30.05,288 29.469,289 20.375,290 33.921,291 26.783,292 26.783,293 26.783,294 26.783,295 26.783,296 21.369,297 27.302,298 9.819,299 27.563,300 5.127,301 3.102,302 1.815,303 0.777,304 0.538,305 0.473,306 4.62,308 1,313 2335,314 4.528,318 932.619,322 885.385,325 3.153,326 34.526,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.49,337 100.333,338 1036,339 4.685,340 3.579,341 6.906,342 4.253,343 3.278,344 4.608,345 1.907,346 11.633,347 3.194,348 4.651,349 3.428,350 6.833,351 4.214,352 3.235,353 4.582,354 0.86,355 11.364,356 3.165,357 4.154,358 3.373,359 6.25,360 3.756,361 2.762,362 3.778,363 0.4,364 9.302,365 2.746,366 3.99,367 2.943,368 6.004,369 3.58,370 2.61,371 3.534,372 0.149,373 8.477,374 2.532,375 3.805,376 2.831,377 5.675,378 3.47,379 2.48,380 3.27,382 7.525,383 2.455,384 3.669,385 2.659,386 5.427,387 3.343,388 2.354,389 2.961,391 6.886,392 2.319,393 3.584,394 2.562,395 5.284,396 3.193,397 2.252,398 2.956,400 6.711,401 2.104,402 3.5,403 2.356,404 4.985,405 3.113,406 2.127,407 2.787,409 5.946,410 2.093,411 3.365,412 2.272,413 4.899,414 2.895,415 1.986,416 2.699,418 5.573,419 1.859,420 3.328,421 2.07,422 4.888,423 2.857,424 1.888,425 2.677,427 5.291,428 1.82,429 2.892,430 1.932,431 4.121,432 2.847,433 1.859,434 1.954,436 3.806,437 1.703,438 2.827,439 1.757,440 4.021,441 2.543,442 1.561,443 1.898,445 3.425,446 1.53,447 2.69,448 1.683,449 3.98,450 2.488,451 1.507,452 1.734,454 3.423,455 1.477,456 2.567,457 1.526,458 3.835,459 2.425,460 1.433,461 1.581,463 3.303,464 1.415,465 2.551,466 1.517,467 3.796,468 2.28,469 1.314,470 1.552,472 3.041,473 1.263,474 23.481,475 0.489,476 0.88,477 0.018,478 58.5,479 1.219,480 28.5,481 0.594,482 30,483 0.625,484 53.557,485 1.116,486 50.919,487 0.548,488 44.782,489 0.933,490 10.332,491 0.215,492 13.304,493 0.277,494 0.045,496 0.298,501 0.738,502 1.172,503 0.752,504 1.003,505 0.578,506 0.954,507 0.825,508 1.189,509 0.839,510 1.052,511 0.602,512 1.028,513 1.045,514 1.033,515 0.867,516 0.914,517 0.958,518 0.892,519 1.196,520 0.979,521 0.92,522 0.912,523 1.125,524 0.937,525 0.988,526 1.048,527 0.886,528 1.001,529 0.91,530 1.018,531 1.11,532 1.036,533 0.977,534 1.054,535 1.127,536 1.09,537 0.994,538 1.032,539 1.075,540 1.088,541 1.047,542 1.1,543 0.76,544 0.874,545 1.114,546 1.013,547 0.937,548 1.011,549 6.5,550 0.19,551 4.444,552 2.688,553 2.933,554 1.299,555 0.844,556 0.592,557 0.385,558 0.238,559 60470,560 132434,561 2.187,562 48.4,563 16,564 17,567 2,568 4,569 6,572 1.832,573 2.118,574 4.266,575 0.002,582 131.349,583 1.412,584 3.437,585 4.724,586 5.762,587 6.002,588 6.066,589 3.673,590 5.22,591 5.565,592 4.562,593 5146.11,594 9.81,595 118381,600 608.142,601 1.099,602 5.546,603 0.12,604 0.005,605 0.06,606 0.034,607 0.039,608 0.017,609 0.013,610 0.011,611 0.008,612 0.006,613 0.312,614 0.17,615 0.5,616 0.307,617 297.913,618 -0.006,619 -0.024,620 0.044,621 0.021,622 0.026,623 0.042,624 0.038,625 -0.106,626 0.008,627 -0.052,628 0.083,629 -0.04,630 -0.026,631 -0.008,632 0.071,633 0.061,634 -0.004,635 0.085,636 -0.029,637 0.077,638 -0.008,639 0.037,640 -0.045,641 0.017,642 -0.068,643 -0.006,644 -0.034,645 -0.031,646 -0.019,647 -0.042,648 -0.083,649 -0.039,650 -0.084,651 -0.076,652 -0.08,653 -0.108,654 -0.063,655 -0.087,656 -0.08,657 -0.091,658 -0.074,659 -0.099,660 0.18,661 0.045,662 -0.015,663 -0.011,664 0.105,665 -0.004,666 1.552,667 5.669,668 0.708,669 72.875,670 0.989,671 1.119,672 5.462,673 29.836,674 0.675,675 4.007,676 4.317,677 4.625,678 4.942,679 5.263,680 5.38,681 5.557,682 5.717,683 5.82,684 5.775,685 12.795,686 0.628,687 661.35,688 4.007,689 5.549,690 6.409,691 7.291,692 8.174,693 9.07,694 9.966,695 10.869,696 11.772,697 12.68,698 4.3,703 1,705 1,708 2,714 4,715 11,716 2,720 9,722 28,734 1,739 1,740 1,741 93,743 29,744 3,745 54,747 99,748 41,749 24,750 7,751 11,756 7,757 13,758 1,767 6,770 13,772 25,773 16,777 1,782 1,786 1,793 45,794 6,795 2,796 7,797 1,802 4,808 0.429,809 2,822 2,829 7,833 4,843 1,859 3,865 1,868 48,876 16,877 2,878 1,892 1,893 2.2,896 1,898 1,901 22.667,902 16.543,903 10.583,904 6.465,907 5.258,908 1.544,909 1.02,910 10.75,911 14.932,912 4.248,913 4.856,914 5.488,915 6.137,916 6.796,917 7.186,918 7.645,919 8.09,920 8.469,921 8.58,922 0.929,923 80,924 17.873,926 7.657,927 0.026,929 7.478,931 35.512,933 30.366,936 1.978,937 94.944,941 506.157,942 189.887,943 69.593,944 39.149,945 36.145,948 189.887,949 581.451,950 69.593,952 59.763,953 104.239,954 81.431,955 50.191,957 506.157,958 39.149,959 506.157,960 259.479,961 36.145,962 39.149,964 435.531,965 106.771,968 69.565,969 138.332,970 90.73,972 506.157,973 105.737,974 229.036,977 506.157,978 85.648,979 104.239,980 36.022,981 108.865,982 506.157,983 105.737,984 229.036,986 0.57,987 0.332,988 0.191,989 0.115,990 35,991 14,992 0.131,993 13,994 4,995 1.235,996 5.929,997 497.486,998 0.235,999 34,1000 264.078,1005 32.864,1006 15.702,1007 7.821,1008 4.163,1009 105.737,1010 22.778,1011 9.988,1015 10.07,1017 36.022,1018 840.93,1019 69,1024 12.669,1028 0.115,1031 91.941,1032 104.075,1034 0.216,1035 0.526,1036 0.722,1037 0.881,1038 0.918,1039 0.928,1040 5.485,1041 2.127,1042 6.368,1043 6.711,1044 5.004,1045 5.545,1046 2.18,1047 7.182,1048 4.95,1049 6.674,1050 1.986,1051 7.916,1052 5.946,1053 4.443,1054 5.373,1055 1.593,1056 8.089,1057 4.353,1058 7.981,1059 1.888,1060 9.572,1061 5.573,1062 6.581,1063 7.796,1064 2.965,1065 11.258,1066 6.483,1067 9.329,1068 1.859,1069 11.296,1070 5.291,1071 6.909,1072 8.514,1073 3.032,1074 13.066,1075 6.783,1076 10.717,1077 1.561,1078 13.068,1079 3.806,1080 8.461,1081 10.395,1082 4.052,1083 15.746,1084 8.323,1085 12.132,1086 1.507,1087 14.871,1088 3.425,1089 9.229,1090 11.531,1091 4.409,1092 17.921,1093 9.065,1094 13.57,1095 1.433,1096 16.699,1097 3.423,1098 10.54,1099 13.197,1100 5.254,1101 20.441,1102 10.36,1103 3.278,1104 1.314,1105 18.544,1106 3.303,1107 11.526,1108 14.537,1109 5.75,1110 22.767,1111 11.319,1112 3.235,1113 11.633,1114 20.403,1115 3.041,1116 12.742,1117 16.113,1118 6.502,1119 25.233,1120 12.516,1121 2.762,1122 11.364,1123 22.273,1124 4.608,1125 13.83,1126 17.55,1127 7.068,1128 27.624,1129 13.577,1130 2.61,1131 9.302,1132 24.151,1133 4.582,1134 15.012,1135 19.091,1136 7.771,1137 30.072,1138 14.738,1139 2.48,1140 8.477,1141 26.037,1142 3.778,1143 16.147,1144 20.573,1145 8.374,1146 32.49,1147 15.846,1148 2.354,1149 7.525,1150 27.929,1151 3.534,1152 17.321,1153 22.101,1154 9.051,1155 34.933,1156 16.996,1157 2.252,1158 6.886,1159 29.826,1160 3.27,1161 18.478,1162 23.605,1163 9.674,1164 37.365,1165 18.127,1166 54343,1167 80668,1168 37.561,1169 62.779,1170 79.636,1171 81.637,1172 81.118,1173 79.905,1174 79.705,1175 102.336,1176 6.632,1177 224.939,1178 77.352,1179 5.657,1180 5.579,1181 6.815,1182 5.337,1183 5.278,1184 7.608,1185 3.306,1186 19.252,1187 5.194,1188 14.509,1189 1.475,1190 1.512,1191 1.502,1192 1.48,1193 1.476,1194 1.895,1195 0.123,1196 4.166,1197 1.432,1198 4.151,1199 4.176,1200 4.139,1201 4.08,1202 7.429,1203 4.084,1204 4.095,1205 4.12,1206 4.085,1207 4.029,1208 5.049,1209 4.033,1210 3.865,1211 3.895,1212 3.796,1213 3.814,1214 5.006,1215 3.806,1216 3.794,1217 3.856,1218 3.778,1219 3.667,1220 4.721,1221 3.653,1222 3.736,1223 3.78,1224 3.664,1225 3.648,1226 4.685,1227 3.636,1228 3.712,1229 3.759,1230 3.587,1231 3.595,1232 4.524,1233 3.588,1234 3.624,1235 3.684,1236 3.502,1237 3.449,1238 4.289,1239 3.452,1240 3.494,1241 3.56,1242 3.409,1243 3.34,1244 4.259,1245 3.329,1246 0.087,1247 0.066,1248 0.128,1249 0.079,1250 0.061,1251 4.685,1252 0.085,1253 3.579,1254 0.035,1255 6.906,1256 0.215,1257 4.253,1258 0.059,1259 3.278,1260 4.608,1261 1.907,1262 11.633,1263 3.194,1264 2.081,1265 2.063,1266 2.151,1267 2.164,1268 1.437,1269 2.161,1270 2.07,1271 2.047,1272 2.149,1273 2.158,1274 1.387,1275 2.159,1276 1.877,1277 1.85,1278 2.033,1279 1.968,1280 1.371,1281 1.99,1282 1.786,1283 1.725,1284 2,1285 1.943,1286 1.221,1287 1.966,1288 1.75,1289 1.709,1290 1.926,1291 1.869,1292 1.169,1293 1.893,1294 1.706,1295 1.664,1296 1.91,1297 1.862,1298 1.122,1299 1.881,1300 1.597,1301 1.535,1302 1.841,1303 1.801,1304 1.077,1305 1.817,1306 1.49,1307 1.428,1308 1.729,1309 1.683,1310 0.967,1311 1.703,1312 4.691,1314 6.004,1316 7.526,1318 9.156,1320 10.851,1323 6.277,1328 15.77,1329 6.899,1330 6.216,1340 58.405,1341 131.349,1342 319.67,1343 439.359,1344 535.877,1345 558.142,1346 564.142,1347 83.243,1348 9.674,1349 76.14,1350 76.14,1351 42,1352 13.198,1353 4.907,1354 4,1355 69.552,1356 387,1357 282,1358 0.084,1359 354.822,1360 616.67,1361 857.525,1362 375742,1363 1.1,1364 32.71,1365 0.681,1366 0.594,1367 33.21,1368 28.509,1369 23.636,1370 0.438,1371 0.338,1372 17.804,1373 22.867,1374 17.435,1375 14.376,1376 23.925,1377 18.27,1378 20.698,1379 0.28,1380 0.185,1381 21.106,1382 13.699,1383 17.74,1384 0.176,1385 0.099,1386 18.003,1387 10.041,1388 15.324,1389 0.11,1390 0.054,1391 15.558,1392 7.466,1393 13.555,1394 0.071,1395 0.03,1396 13.787,1397 5.682,1398 0.142,1399 148.203,1400 0.163,1401 43.234,1402 0.205,1403 256,1404 603.63,1405 284.826,1406 624.167,1407 869.59,1408 590,1409 303,1410 632.968,1411 326.733,1412 652.971,1413 966.3,1414 622,1415 7.842}
{0 CHEMBL552747,1 1.402,2 22.408,3 10.472,4 109.669,5 199.725,6 7.035,7 0.509,8 4.636,9 4.758,10 4.163,11 4.237,12 5.593,13 4.183,14 5.222,15 5.401,16 4.523,17 4.663,18 6.129,19 4.574,20 5.542,21 5.782,22 4.622,23 4.815,24 6.387,25 4.701,26 5.543,27 5.781,28 4.594,29 4.797,30 6.415,31 4.682,32 5.537,33 5.769,34 4.574,35 4.828,36 6.378,37 4.702,38 5.612,39 5.854,40 4.526,41 4.847,42 6.434,43 4.694,44 5.618,45 5.884,46 4.382,47 4.788,48 6.376,49 4.6,50 5.53,51 5.817,52 4.221,53 4.64,54 6.298,55 4.433,56 0.08,57 1.319,58 21.144,59 9.469,60 9.677,61 12.947,62 0.266,63 2.253,64 40.674,65 16.812,66 28.37,67 23.32,68 0.447,69 2.945,70 60.918,71 22.502,72 53.149,73 31.704,74 0.642,75 2.974,76 60.737,77 21.552,78 65.659,79 30.548,80 0.418,81 2.961,82 58.196,83 22.476,84 51.489,85 31.682,86 0.548,87 3.073,88 64.695,89 24.69,90 63.017,91 34.484,92 0.498,93 2.986,94 68.53,95 25.794,96 59.195,97 36.047,98 0.705,99 2.667,100 66.383,101 23.79,102 73.881,103 33.536,104 5,105 75,106 0.204,107 0.495,108 0.681,109 0.833,110 0.871,111 0.88,112 3.914,113 1.024,114 -6.86,115 -6.67,116 -6.17,121 43.8,123 14,127 3,144 11,145 6,146 3,148 4,160 1,176 25,180 12,183 1,185 5,187 30,192 11,197 5,200 23,205 1,206 12,209 1,211 7,214 25,219 9,224 5,227 29,232 8,237 5,239 34,244 3,249 2,251 30,255 2,256 3,259 2,261 1,264 26,269 3,273 1,274 1,277 22,281 5969,282 34.172,283 34.172,284 34.172,285 34.172,286 34.172,287 30.757,288 29.469,289 20.875,290 34.628,291 27.283,292 27.283,293 27.283,294 27.283,295 27.283,296 21.869,297 27.302,298 10.069,299 28.063,300 5.183,301 3.187,302 1.907,303 0.862,304 0.604,305 0.542,306 4.639,308 1,313 2471,314 4.637,318 970.383,322 921.938,325 3.289,326 34.589,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.49,337 102.333,338 1098,339 4.685,340 3.579,341 6.906,342 4.253,343 3.278,344 4.608,345 1.907,346 11.633,347 3.194,348 4.651,349 3.428,350 6.833,351 4.214,352 3.235,353 4.582,354 0.86,355 11.364,356 3.165,357 4.154,358 3.373,359 6.25,360 3.756,361 2.762,362 3.778,363 0.4,364 9.302,365 2.746,366 3.99,367 2.943,368 6.004,369 3.58,370 2.61,371 3.534,372 0.149,373 8.477,374 2.532,375 3.805,376 2.831,377 5.675,378 3.47,379 2.48,380 3.27,382 7.525,383 2.455,384 3.669,385 2.659,386 5.427,387 3.343,388 2.354,389 2.961,391 6.886,392 2.319,393 3.584,394 2.562,395 5.284,396 3.193,397 2.252,398 2.956,400 6.711,401 2.104,402 3.5,403 2.356,404 4.985,405 3.113,406 2.127,407 2.787,409 5.946,410 2.093,411 3.365,412 2.272,413 4.899,414 2.905,415 1.986,416 2.699,418 5.573,419 1.885,420 3.328,421 2.07,422 4.888,423 2.865,424 1.89,425 2.677,427 5.291,428 1.82,429 2.91,430 1.942,431 4.121,432 2.855,433 1.881,434 1.954,436 3.838,437 1.704,438 2.827,439 1.789,440 4.021,441 2.615,442 1.627,443 1.915,445 3.462,446 1.605,447 2.712,448 1.683,449 3.983,450 2.488,451 1.507,452 1.751,454 3.425,455 1.477,456 2.601,457 1.565,458 3.86,459 2.431,460 1.441,461 1.611,463 3.351,464 1.419,465 2.566,466 1.526,467 3.797,468 2.28,469 1.314,470 1.58,472 3.088,473 1.263,474 23.981,475 0.489,476 0.88,477 0.018,478 59,479 1.204,480 28.5,481 0.582,482 30.5,483 0.622,484 55.63,485 1.135,486 52.219,487 0.544,488 44.945,489 0.917,490 10.332,491 0.211,492 13.804,493 0.282,494 0.044,496 0.292,501 0.739,502 1.18,503 0.764,504 1.014,505 0.578,506 0.966,507 0.824,508 1.196,509 0.849,510 1.063,511 0.601,512 1.038,513 1.037,514 1.03,515 0.865,516 0.914,517 0.95,518 0.892,519 1.186,520 0.978,521 0.917,522 0.913,523 1.115,524 0.936,525 0.981,526 1.045,527 0.884,528 0.998,529 0.902,530 1.014,531 1.104,532 1.033,533 0.973,534 1.05,535 1.12,536 1.084,537 0.99,538 1.03,539 1.069,540 1.083,541 1.041,542 1.094,543 0.773,544 0.904,545 1.106,546 1.016,547 0.936,548 1.008,549 6.5,550 0.206,551 4.444,552 2.688,553 2.933,554 1.299,555 0.844,556 0.592,557 0.385,558 0.238,559 65239,560 141389,561 2.183,562 49,563 18,564 17,567 2,568 4,569 6,572 1.836,573 2.115,574 4.316,575 -0.005,582 134.613,583 1.402,584 3.398,585 4.678,586 5.723,587 5.981,588 6.043,589 3.741,590 5.329,591 5.595,592 4.618,593 5430.65,594 9.866,595 128789,600 632.156,601 1.089,602 5.576,603 0.118,604 0.005,605 0.059,606 0.033,607 0.038,608 0.017,609 0.012,610 0.011,611 0.008,612 0.006,613 0.308,614 0.17,615 0.5,616 0.303,617 306.968,618 -0.003,619 -0.023,620 0.044,621 0.02,622 0.03,623 0.042,624 0.04,625 -0.109,626 0.005,627 -0.057,628 0.086,629 -0.044,630 -0.021,631 -0.007,632 0.075,633 0.063,634 0.002,635 0.087,636 -0.022,637 0.076,638 -0.001,639 0.039,640 -0.037,641 0.021,642 -0.062,643 -0.004,644 -0.026,645 -0.026,646 -0.012,647 -0.035,648 -0.077,649 -0.036,650 -0.077,651 -0.07,652 -0.073,653 -0.101,654 -0.06,655 -0.084,656 -0.075,657 -0.086,658 -0.07,659 -0.094,660 0.163,661 0.016,662 -0.013,663 -0.016,664 0.102,665 -0.005,666 1.546,667 5.661,668 0.694,669 77.078,670 0.988,671 1.12,672 5.629,673 31.684,674 0.672,675 4.025,676 4.331,677 4.635,678 4.949,679 5.268,680 5.384,681 5.561,682 5.72,683 5.823,684 5.778,685 13.301,686 0.624,687 675.38,688 4.025,689 5.565,690 6.422,691 7.302,692 8.183,693 9.077,694 9.972,695 10.874,696 11.776,697 12.683,698 4.2,703 1,705 1,708 2,714 4,715 11,716 2,720 9,722 28,734 1,739 1,740 1,741 96,743 29,744 3,745 55,747 102,748 42,749 24,750 7,751 11,756 7,757 13,758 1,767 6,770 14,772 25,773 17,777 1,782 1,786 1,793 47,794 6,795 2,796 7,797 1,802 4,808 0.429,809 2,822 2,829 7,833 4,843 1,859 3,865 1,868 49,876 17,877 2,878 1,892 1,893 2.1,896 1,898 1,901 23.167,902 17.043,903 10.833,904 6.715,907 5.245,908 1.541,909 1.016,910 11.293,911 14.933,912 4.263,913 4.864,914 5.492,915 6.139,916 6.797,917 7.187,918 7.646,919 8.09,920 8.469,921 8.581,922 1,923 81,924 18.251,926 7.799,927 0.026,929 7.468,931 36.328,933 31.033,936 1.968,937 96.444,941 529.7,942 192.421,943 69.593,944 39.149,945 36.145,948 192.421,949 604.993,950 69.593,952 62.298,953 104.239,954 81.431,955 50.191,957 529.7,958 39.149,959 529.7,960 262.014,961 36.145,962 39.149,964 459.073,965 106.771,968 72.1,969 138.332,970 90.73,972 529.7,973 105.737,974 231.57,977 529.7,978 88.183,979 104.239,980 36.022,981 108.865,982 529.7,983 105.737,984 231.57,986 0.569,987 0.331,988 0.19,989 0.114,990 35,991 14,992 0.137,993 14,994 4,995 1.235,996 6.04,997 506.574,998 0.235,999 34,1000 266.366,1005 33.817,1006 16.363,1007 8.218,1008 4.182,1009 105.737,1010 22.805,1011 9.993,1015 10.108,1017 36.022,1018 867.007,1019 70,1024 12.661,1028 0.12,1031 94.825,1032 107.49,1034 0.213,1035 0.516,1036 0.71,1037 0.869,1038 0.908,1039 0.918,1040 5.497,1041 2.127,1042 6.378,1043 6.711,1044 5.017,1045 5.553,1046 2.18,1047 7.188,1048 4.964,1049 6.683,1050 1.986,1051 7.923,1052 5.946,1053 4.443,1054 5.373,1055 1.593,1056 8.089,1057 4.353,1058 7.987,1059 1.89,1060 9.577,1061 5.573,1062 6.589,1063 7.798,1064 2.965,1065 11.259,1066 6.492,1067 9.333,1068 1.881,1069 11.3,1070 5.291,1071 6.909,1072 8.514,1073 3.032,1074 13.066,1075 6.783,1076 10.72,1077 1.627,1078 13.069,1079 3.838,1080 8.465,1081 10.395,1082 4.052,1083 15.747,1084 8.328,1085 12.134,1086 1.507,1087 14.872,1088 3.462,1089 9.229,1090 11.531,1091 4.409,1092 17.921,1093 9.065,1094 13.571,1095 1.441,1096 16.699,1097 3.425,1098 10.542,1099 13.197,1100 5.254,1101 20.441,1102 10.362,1103 3.278,1104 1.314,1105 18.544,1106 3.351,1107 11.526,1108 14.537,1109 5.75,1110 22.767,1111 11.319,1112 3.235,1113 11.633,1114 20.403,1115 3.088,1116 12.742,1117 16.113,1118 6.502,1119 25.233,1120 12.517,1121 2.762,1122 11.364,1123 22.273,1124 4.608,1125 13.83,1126 17.55,1127 7.068,1128 27.624,1129 13.577,1130 2.61,1131 9.302,1132 24.151,1133 4.582,1134 15.013,1135 19.091,1136 7.771,1137 30.072,1138 14.738,1139 2.48,1140 8.477,1141 26.037,1142 3.778,1143 16.147,1144 20.573,1145 8.374,1146 32.49,1147 15.846,1148 2.354,1149 7.525,1150 27.929,1151 3.534,1152 17.321,1153 22.101,1154 9.051,1155 34.933,1156 16.997,1157 2.252,1158 6.886,1159 29.826,1160 3.27,1161 18.478,1162 23.605,1163 9.674,1164 37.365,1165 18.127,1166 58688,1167 86661,1168 38.254,1169 64.54,1170 80.936,1171 82.906,1172 82.355,1173 81.214,1174 81.007,1175 103.641,1176 6.632,1177 227.552,1178 78.653,1179 5.66,1180 5.579,1181 6.83,1182 5.337,1183 5.278,1184 7.608,1185 3.306,1186 19.252,1187 5.194,1188 14.759,1189 1.472,1190 1.507,1191 1.497,1192 1.477,1193 1.473,1194 1.884,1195 0.121,1196 4.137,1197 1.43,1198 4.151,1199 4.177,1200 4.139,1201 4.08,1202 7.429,1203 4.085,1204 4.095,1205 4.12,1206 4.085,1207 4.029,1208 5.05,1209 4.033,1210 3.865,1211 3.895,1212 3.796,1213 3.814,1214 5.006,1215 3.806,1216 3.804,1217 3.866,1218 3.778,1219 3.675,1220 4.721,1221 3.66,1222 3.736,1223 3.78,1224 3.667,1225 3.655,1226 4.685,1227 3.641,1228 3.718,1229 3.766,1230 3.595,1231 3.598,1232 4.524,1233 3.592,1234 3.641,1235 3.702,1236 3.515,1237 3.476,1238 4.289,1239 3.474,1240 3.527,1241 3.59,1242 3.419,1243 3.372,1244 4.26,1245 3.364,1246 0.085,1247 0.065,1248 0.126,1249 0.077,1250 0.06,1251 4.685,1252 0.084,1253 3.579,1254 0.035,1255 6.906,1256 0.212,1257 4.253,1258 0.058,1259 3.278,1260 4.608,1261 1.907,1262 11.633,1263 3.194,1264 2.081,1265 2.063,1266 2.151,1267 2.164,1268 1.438,1269 2.161,1270 2.07,1271 2.047,1272 2.149,1273 2.158,1274 1.402,1275 2.159,1276 1.877,1277 1.85,1278 2.045,1279 1.972,1280 1.371,1281 1.997,1282 1.798,1283 1.737,1284 2,1285 1.947,1286 1.228,1287 1.968,1288 1.75,1289 1.709,1290 1.928,1291 1.876,1292 1.203,1293 1.894,1294 1.709,1295 1.667,1296 1.912,1297 1.862,1298 1.14,1299 1.886,1300 1.628,1301 1.564,1302 1.877,1303 1.818,1304 1.077,1305 1.84,1306 1.515,1307 1.458,1308 1.743,1309 1.711,1310 0.974,1311 1.726,1312 4.71,1314 6.019,1316 7.536,1318 9.163,1320 10.856,1323 6.279,1328 17.166,1329 6.912,1330 6.218,1340 59.932,1341 134.613,1342 326.181,1343 449.07,1344 549.402,1345 574.156,1346 580.156,1347 86.227,1348 9.688,1349 76.14,1350 76.14,1351 42,1352 13.202,1353 4.907,1354 4,1355 71.799,1356 411,1357 295,1358 0.081,1359 364.414,1360 633.97,1361 880.93,1362 391581,1363 1,1364 33.417,1365 0.682,1366 0.596,1367 33.917,1368 29.216,1369 24.136,1370 0.439,1371 0.341,1372 18.304,1373 23.367,1374 17.926,1375 14.793,1376 24.425,1377 18.77,1378 21.051,1379 0.281,1380 0.187,1381 21.459,1382 14.053,1383 17.99,1384 0.176,1385 0.101,1386 18.253,1387 10.291,1388 15.5,1389 0.111,1390 0.055,1391 15.735,1392 7.642,1393 13.68,1394 0.071,1395 0.03,1396 13.912,1397 5.807,1398 0.138,1399 151.203,1400 0.162,1401 44.093,1402 0.197,1403 260,1404 607.63,1405 288.826,1406 628.329,1407 875.35,1408 594,1409 307,1410 636.968,1411 330.733,1412 657.133,1413 972.06,1414 626,1415 7.854}
{0 CHEMBL552832,1 1.245,2 11.609,3 4.482,4 20.085,5 95.975,6 6.406,7 0.48,8 3.919,9 4.048,10 3.365,11 3.522,12 4.866,13 3.452,14 4.492,15 4.684,16 3.653,17 3.919,18 5.346,19 3.812,20 4.817,21 5.063,22 3.657,23 4.061,24 5.618,25 3.902,26 4.878,27 5.161,28 3.491,29 3.984,30 5.63,31 3.791,32 4.776,33 5.069,34 3.447,35 3.886,36 5.526,37 3.707,38 4.657,39 4.919,40 3.37,41 3.833,42 5.463,43 3.659,44 4.591,45 4.861,46 3.245,47 3.763,48 5.362,49 3.568,50 4.473,51 4.763,52 3.079,53 3.626,54 5.136,55 3.415,56 0.046,57 0.631,58 11.073,59 4.927,60 6.475,61 6.868,62 0.122,63 1.085,64 20.065,65 8.19,66 12.542,67 11.676,68 0.183,69 1.401,70 27.961,71 11.364,72 26.924,73 16.144,74 0.222,75 1.423,76 29.898,77 11.811,78 33.577,79 16.833,80 0.204,81 1.281,82 27.004,83 10.6,84 28.368,85 15.153,86 0.191,87 1.145,88 23.96,89 9.58,90 28.158,91 13.471,92 0.206,93 1.068,94 22.282,95 9.224,96 27.704,97 13.031,98 0.098,99 0.958,100 19.493,101 8.285,102 15.155,103 11.904,104 2,105 32,106 0.213,107 0.487,108 0.657,109 0.759,110 0.8,111 0.807,112 3.187,113 1.039,114 -5.21,115 -5.1,116 -4.77,121 43.8,123 4,124 1,127 3,144 10,145 2,159 1,176 16,180 5,187 17,192 6,200 11,206 6,214 7,219 5,227 12,239 14,243 1,244 1,251 12,256 2,264 7,269 3,277 4,281 743,282 15.913,283 15.913,284 15.913,285 15.913,286 15.913,287 14.32,288 13.867,289 9.855,290 15.991,291 12.377,292 12.377,293 12.377,294 12.377,295 12.377,296 10.093,297 15.853,298 4.749,299 12.485,300 4.34,301 2.746,302 1.755,303 1.156,304 0.917,305 0.875,306 3.875,311 1,312 1,313 575,314 2.828,318 255.013,325 2.008,326 12.798,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 47.5,338 267,339 4.142,340 3.6,341 6.02,342 3.818,343 2.799,344 3.67,345 1.277,346 8.548,347 2.854,348 3.941,349 3.017,350 5.616,351 3.68,352 2.713,353 3.457,354 0.916,355 7.786,356 2.626,357 3.604,358 2.557,359 5.329,360 3.46,361 2.461,362 2.658,363 0.172,364 6.942,365 2.458,366 3.297,367 2.236,368 4.955,369 3.041,370 2.084,371 2.529,373 5.869,374 1.987,375 3.14,376 2.174,377 4.284,378 2.809,379 1.792,380 2.224,382 4.182,383 1.816,384 2.823,385 1.52,386 3.595,387 2.417,388 1.422,389 1.923,391 3.043,392 1.414,393 2.589,394 1.324,395 3.496,396 2.171,397 1.165,398 1.575,400 2.678,401 1.171,402 2.5,403 1.085,404 3.414,405 2,406 1,407 1.5,409 2.275,410 1,411 2.5,412 1.077,413 3.247,414 2,415 1,416 1.5,418 2.136,419 1,420 2,421 1,422 3.247,423 1.984,424 1,425 1,427 2.136,428 0.983,429 1.752,430 1,431 3.035,432 1.567,433 0.54,434 0.618,436 1.245,437 0.551,438 1.216,439 0.371,440 2.735,441 1.03,442 0.043,443 0.048,445 0.107,446 0.042,447 0.757,448 -0.087,449 2.189,450 0.488,451 -0.513,452 -0.58,454 -1.168,455 -0.513,456 0.701,457 -0.507,458 2,459 0.28,460 -0.749,461 -1,463 -1.608,464 -0.765,465 0.5,466 -0.741,467 1.669,468 0.007,469 -1,470 -1.032,472 -2.347,473 -0.946,474 11.233,475 0.488,476 0.362,477 0.016,478 27,479 1.174,480 13.5,481 0.587,482 13.5,483 0.587,484 19.176,485 0.834,486 24.767,487 0.516,488 16.376,489 0.712,490 5.124,491 0.223,492 6.185,493 0.269,494 0.03,496 0.214,501 0.638,502 1.216,503 0.933,504 1.096,505 0.518,506 1.043,507 0.962,508 1.141,509 1.105,510 1.101,511 0.601,512 1.099,513 1.034,514 1.119,515 1.089,516 1.109,517 0.897,518 1.101,519 1.178,520 1.015,521 1.022,522 1.004,523 1.15,524 1.003,525 1.131,526 0.862,527 0.897,528 0.857,529 1.111,530 0.859,531 1.424,532 0.962,533 1.092,534 0.99,535 1.55,536 1.017,537 0.956,538 0.993,539 1.061,540 1.029,541 1.209,542 1.056,543 0.405,544 1.056,545 0.929,546 1.053,547 0.424,548 1.032,549 3.5,550 0.078,551 1.778,552 0.75,553 0.724,554 0.424,555 0.301,556 0.17,557 0.094,558 0.088,559 6727,560 13864,561 2.119,562 52.1,563 3,564 16,568 2,569 4,572 1.648,573 2.06,574 3.513,575 -0.901,577 1,582 59.743,583 1.245,584 2.839,585 3.83,586 4.429,587 4.668,588 4.71,589 2.947,590 3.882,591 4.495,592 3.673,593 929.299,594 7.693,595 11263.1,597 1,599 1,600 268.078,601 0.998,602 4.488,603 0.14,604 0.007,605 0.056,606 0.025,607 0.03,608 0.018,609 0.014,610 0.009,611 0.006,612 0.007,613 0.31,614 0.5,615 1,616 0.393,617 111.014,618 0.035,619 -0.074,620 0.053,621 -0.005,622 0.028,623 0.019,624 -0.08,625 -0.031,626 -0.111,627 -0.084,628 -0.003,629 -0.094,630 -0.047,631 -0.113,632 -0.107,633 -0.124,634 0.017,635 -0.119,636 -0.039,637 -0.063,638 -0.036,639 -0.05,640 -0.012,641 -0.044,642 -0.008,643 0.089,644 0.09,645 0.091,646 -0.01,647 0.097,648 -0.133,649 0.005,650 -0.096,651 -0.021,652 -0.16,653 -0.051,654 0.052,655 -0.044,656 -0.087,657 -0.05,658 -0.098,659 -0.078,660 0.073,661 -0.115,662 0.01,663 -0.074,664 0.007,665 -0.043,666 1.377,667 5.182,668 0.783,669 22.752,670 0.98,671 1.119,672 3.979,673 15.832,674 0.658,675 3.258,676 3.497,677 3.689,678 3.85,679 4.043,680 3.892,681 3.97,682 4.043,683 4.078,684 4.111,685 6.831,686 0.605,687 307.47,688 3.258,689 4.745,690 5.549,691 6.372,692 7.188,693 8.013,694 8.833,695 9.659,696 10.481,697 11.307,698 2.1,701 1,715 10,720 2,722 12,727 1,741 48,743 13,744 2,745 25,747 50,748 21,749 12,750 2,751 10,752 1,756 3,757 3,767 2,768 1,770 4,772 13,773 8,774 1,777 1,782 1,786 1,790 1,793 25,794 2,796 2,802 1,808 1,809 1,829 3,855 1,859 3,868 23,876 7,880 1,881 1,893 2.1,896 1,901 11.167,902 8.283,903 5.194,904 3.126,907 1.85,908 1.275,909 0.97,910 5.603,911 8.573,912 3.497,913 3.951,914 4.388,915 4.798,916 5.225,917 4.925,918 5.102,919 5.106,920 5.218,921 5.394,922 0.875,923 30,924 8.559,926 3.543,927 0.026,929 7.493,931 17.061,933 14.202,936 1.993,937 45.833,938 0.001,940 1,941 294.278,942 122.722,943 3.124,945 25.145,948 122.722,949 319.422,950 3.124,952 16.455,953 94.762,954 30.278,955 9.495,957 294.278,959 294.278,960 125.847,961 25.145,964 247.193,965 72.229,968 19.58,969 106.267,972 294.278,973 28.269,974 122.722,977 294.278,978 27.96,979 97.887,981 25.145,982 294.278,983 28.269,984 122.722,986 0.561,987 0.316,988 0.163,989 0.09,990 14,991 5,992 0.12,993 6,995 1,996 3.774,997 167.49,999 18,1000 92.042,1005 15.954,1006 8.078,1007 4.773,1009 28.269,1010 20.364,1015 2.249,1018 445.269,1019 32,1024 12.182,1028 0.289,1031 47.032,1032 53.69,1034 0.223,1035 0.508,1036 0.686,1037 0.793,1038 0.836,1039 0.843,1040 4.682,1041 1,1042 5.468,1043 2.678,1044 4.174,1045 4.635,1046 1.752,1047 6.146,1048 4.16,1049 5.804,1050 1,1051 6.938,1052 2.275,1053 3.434,1054 3.951,1055 0.325,1056 6.742,1057 3.42,1058 7.037,1059 1,1060 8.505,1061 2.136,1062 5.638,1063 6.592,1064 1.986,1065 9.783,1066 5.61,1067 8.297,1068 0.54,1069 10.129,1070 2.136,1071 5.74,1072 6.721,1073 0.393,1074 11.224,1075 5.724,1076 9.59,1077 0.043,1078 11.792,1079 1.245,1080 7.348,1081 8.826,1082 2.341,1083 13.711,1084 7.315,1085 10.905,1086 -0.513,1087 13.481,1088 0.107,1089 7.865,1090 9.372,1091 0.384,1092 15.507,1093 7.853,1094 12.236,1095 -0.749,1096 15.188,1097 -1.168,1098 9.185,1099 11.199,1100 2.756,1101 17.779,1102 9.158,1103 2.799,1104 -1,1105 16.909,1106 -1.608,1107 9.925,1108 11.991,1109 0.351,1110 19.741,1111 9.921,1112 2.713,1113 8.548,1114 18.639,1115 -2.347,1116 11.095,1117 13.646,1118 3.203,1119 21.924,1120 11.082,1121 2.461,1122 7.786,1123 20.377,1124 3.67,1125 11.959,1126 14.596,1127 0.312,1128 23.968,1129 11.967,1130 2.084,1131 6.942,1132 22.121,1133 3.457,1134 13.052,1135 16.137,1136 3.667,1137 26.114,1138 13.058,1139 1.792,1140 5.869,1141 23.87,1142 2.658,1143 13.983,1144 17.192,1145 0.273,1146 28.199,1147 14.009,1148 1.422,1149 4.182,1150 25.623,1151 2.529,1152 15.036,1153 18.654,1154 4.143,1155 30.332,1156 15.065,1157 1.165,1158 3.043,1159 27.38,1160 2.224,1161 16.004,1162 19.782,1163 0.236,1164 32.438,1165 16.052,1166 6407,1167 9264,1168 17.277,1169 31.597,1170 36.415,1171 37.161,1172 36.507,1173 36.052,1174 36.038,1175 45.405,1176 4.733,1177 93.89,1178 35.803,1179 5.142,1180 5.6,1181 5.822,1182 4.854,1183 4.799,1184 6.67,1185 2.555,1186 14.474,1187 4.854,1188 5.947,1189 1.457,1190 1.486,1191 1.46,1192 1.442,1193 1.442,1194 1.816,1195 0.189,1196 3.756,1197 1.432,1198 3.983,1199 4.026,1200 3.898,1201 3.897,1202 7.427,1203 3.892,1204 3.909,1205 3.938,1206 3.84,1207 3.845,1208 4.76,1209 3.839,1210 3.812,1211 3.86,1212 3.698,1213 3.713,1214 4.723,1215 3.702,1216 3.499,1217 3.557,1218 3.377,1219 3.337,1220 4.318,1221 3.338,1222 3.215,1223 3.274,1224 3.089,1225 3.054,1226 3.904,1227 3.052,1228 3.111,1229 3.206,1230 2.866,1231 2.941,1232 3.675,1233 2.91,1234 2.952,1235 3.013,1236 2.787,1237 2.805,1238 3.674,1239 2.793,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.166,1247 0.144,1248 0.241,1249 0.153,1250 0.112,1251 4.142,1252 0.147,1253 3.6,1254 0.051,1255 6.02,1256 0.342,1257 3.818,1258 0.114,1259 2.799,1260 3.67,1261 1.277,1262 8.548,1263 2.854,1264 1.943,1265 1.908,1266 2.107,1267 2.072,1268 1.484,1269 2.087,1270 1.912,1271 1.885,1272 2.036,1273 2,1274 1.176,1275 2.012,1276 1.826,1277 1.778,1278 1.997,1279 1.938,1280 1.104,1281 1.961,1282 1.482,1283 1.425,1284 1.726,1285 1.677,1286 0.966,1287 1.696,1288 1.198,1289 1.138,1290 1.513,1291 1.402,1292 0.825,1293 1.429,1294 1.153,1295 1.064,1296 1.459,1297 1.376,1298 0.684,1299 1.422,1300 0.953,1301 0.896,1302 1.221,1303 1.157,1304 0.423,1305 1.18,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 3.932,1314 5.187,1316 6.64,1318 8.169,1320 9.733,1328 7.513,1332 0.703,1333 2.533,1340 29.058,1341 59.743,1342 136.281,1343 183.839,1344 212.568,1345 224.078,1346 226.078,1347 35.681,1348 6.724,1349 20.31,1350 20.31,1351 18,1352 11.884,1353 3.807,1354 3,1355 37.205,1356 95,1357 80,1358 0.189,1359 180.328,1360 314.29,1361 431.761,1362 7532,1364 15.908,1365 0.692,1366 0.594,1367 15.908,1368 13.656,1369 11.31,1370 0.452,1371 0.346,1372 8.61,1373 11.139,1374 8.404,1375 6.981,1376 11.31,1377 8.656,1378 9.579,1379 0.299,1380 0.204,1381 9.579,1382 6.533,1383 7.843,1384 0.201,1385 0.124,1386 7.843,1387 4.832,1388 6.088,1389 0.132,1390 0.073,1391 6.088,1392 3.378,1393 4.975,1394 0.089,1395 0.045,1396 4.975,1397 2.51,1398 0.307,1399 69.048,1400 0.241,1401 23.367,1402 0.487,1403 114,1404 251.381,1405 118.185,1406 250.851,1407 341.38,1408 236,1409 128,1410 241.749,1411 132.658,1412 250.094,1413 357.84,1414 236,1415 6.516}
{0 CHEMBL55312,1 1.28,2 12.633,3 5.482,4 30.049,5 123.768,6 6.643,7 0.545,8 4.152,9 4.279,10 3.634,11 3.752,12 5.134,13 3.693,14 4.708,15 4.894,16 3.939,17 4.146,18 5.61,19 4.054,20 5.028,21 5.268,22 3.988,23 4.299,24 5.848,25 4.164,26 5.113,27 5.38,28 3.926,29 4.267,30 5.95,31 4.118,32 5.081,33 5.345,34 3.955,35 4.273,36 5.942,37 4.138,38 5.063,39 5.304,40 3.955,41 4.343,42 5.91,43 4.194,44 5.116,45 5.369,46 3.883,47 4.353,48 5.919,49 4.176,50 5.071,51 5.347,52 3.718,53 4.237,54 5.829,55 4.039,56 0.057,57 0.807,58 13.472,59 5.873,60 8.714,61 8.196,62 0.209,63 1.38,64 24.484,65 9.651,66 19.238,67 13.82,68 0.221,69 1.797,70 34.397,71 13.548,72 28.419,73 19.421,74 0.305,75 1.883,76 38.309,77 14.454,78 43.843,79 20.618,80 0.33,81 1.823,82 37.196,83 13.933,84 48.712,85 19.759,86 0.282,87 1.81,88 35.741,89 14.639,90 38.038,91 20.521,92 0.232,93 1.859,94 37.599,95 16.021,96 40.445,97 22.444,98 0.287,99 1.776,100 36.319,101 14.929,102 41.943,103 21.295,104 2,105 43,106 0.207,107 0.455,108 0.596,109 0.731,110 0.807,111 0.82,112 3.44,113 0.998,114 -6.08,115 -5.93,116 -5.51,121 45,123 3,124 1,127 4,144 15,145 2,146 1,160 1,176 19,179 1,180 8,187 19,192 10,200 8,206 13,214 7,219 6,227 18,231 1,232 3,239 29,251 26,255 1,256 4,264 14,269 6,277 4,281 1604,282 20.897,283 20.897,284 20.897,285 20.897,286 20.897,287 18.601,288 19.944,289 12.896,290 21.088,291 16.338,292 16.338,293 16.338,294 16.338,295 16.338,296 13.08,297 25.695,298 6.195,299 16.635,300 4.626,301 3.089,302 2.215,303 1.38,304 0.913,305 0.833,306 4.142,311 1,312 1,313 825,314 3.391,318 461.176,325 1.907,326 15.058,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 62,338 379,339 4.326,340 3.727,341 6.609,342 4.042,343 3.072,344 3.791,345 1.2,346 10.443,347 2.982,348 3.941,349 3.018,350 5.73,351 3.687,352 2.724,353 3.459,354 0.916,355 7.792,356 2.632,357 3.907,358 2.759,359 5.616,360 3.51,361 2.517,362 3.456,363 0.293,364 7.663,365 2.494,366 3.604,367 2.554,368 5.329,369 3.453,370 2.457,371 2.682,372 0.172,373 6.942,374 2.443,375 3.355,376 2.233,377 4.955,378 3.04,379 2.084,380 2.614,382 5.869,383 1.983,384 3.169,385 2.175,386 4.667,387 2.89,388 1.9,389 2.244,391 4.808,392 1.876,393 2.95,394 1.8,395 3.861,396 2.518,397 1.52,398 2.119,400 3.293,401 1.514,402 2.823,403 1.517,404 3.595,405 2.416,406 1.421,407 1.923,409 3.043,410 1.413,411 2.59,412 1.323,413 3.51,414 2.158,415 1.171,416 1.597,418 2.705,419 1.154,420 2.5,421 1.22,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1.077,431 3.366,432 2,433 1,434 1.5,436 2.136,437 1,438 2.5,439 1,440 3.247,441 2,442 1,443 1.5,445 2.136,446 1,447 2.193,448 1,449 3.247,450 1.984,451 1,452 1.056,454 2.136,455 0.983,456 2,457 1,458 3.247,459 1.88,460 0.861,461 1,463 2.047,464 0.87,465 1.475,466 0.578,467 2.958,468 1.275,469 0.279,470 0.32,472 0.693,473 0.276,474 14.633,475 0.488,476 0.465,477 0.016,478 38.25,479 1.275,480 20,481 0.667,482 18.25,483 0.608,484 25.803,485 0.86,486 31.567,487 0.526,488 27.096,489 0.903,490 7.459,491 0.249,492 7.334,493 0.244,494 0.023,496 0.226,501 0.707,502 1.261,503 0.892,504 1.076,505 0.545,506 1.008,507 0.969,508 1.157,509 1.078,510 1.068,511 0.605,512 1.069,513 1,514 1.143,515 1.033,516 1.085,517 0.721,518 1.059,519 1.42,520 1.038,521 1.009,522 0.981,523 1.332,524 0.967,525 1.629,526 0.845,527 0.974,528 0.824,529 1.598,530 0.847,531 1.18,532 0.921,533 1.087,534 1.011,535 1.278,536 1.038,537 0.952,538 1.051,539 1.068,540 1.102,541 1.254,542 1.103,543 0.816,544 1.021,545 1.043,546 1.052,547 1.009,548 1.067,549 4,550 0.128,551 2.444,552 1.438,553 1.156,554 0.66,555 0.485,556 0.293,557 0.171,558 0.131,559 13121,560 27293,561 2.148,562 50,563 1,564 23,569 6,572 1.728,573 2.093,574 3.575,575 -0.891,582 76.825,583 1.28,584 2.818,585 3.692,586 4.527,587 4.994,588 5.074,589 3.007,590 4.215,591 4.877,592 3.782,593 1645.34,594 8.505,595 23787.2,600 354.413,601 0.982,602 4.873,603 0.121,604 0.006,605 0.057,606 0.033,607 0.03,608 0.016,609 0.012,610 0.008,611 0.006,612 0.005,613 0.293,614 0.5,615 0.88,616 0.327,617 156.223,618 0.051,619 -0.132,620 0.064,621 -0.029,622 0.025,623 0.008,624 0.04,625 -0.04,626 -0.095,627 -0.079,628 0.022,629 -0.093,630 -0.003,631 -0.115,632 -0.047,633 -0.109,634 0.071,635 -0.084,636 -0.038,637 -0.05,638 0.005,639 -0.027,640 0.041,641 -0.01,642 -0.119,643 0.151,644 0.048,645 0.13,646 -0.045,647 0.107,648 -0.082,649 0.073,650 -0.101,651 -0.02,652 -0.1,653 -0.054,654 -0.054,655 -0.109,656 -0.098,657 -0.096,658 -0.126,659 -0.102,660 0.04,661 -0.077,662 -0.069,663 -0.067,664 -0.083,665 -0.078,666 1.58,667 6.191,668 0.8,669 32.364,670 0.982,671 1.117,672 4.848,673 23.503,674 0.669,675 3.526,676 3.784,677 4.025,678 4.234,679 4.443,680 4.369,681 4.489,682 4.575,683 4.635,684 4.673,685 7.462,686 0.619,687 398.59,688 3.526,689 5.03,690 5.855,691 6.696,692 7.534,693 8.381,694 9.226,695 10.076,696 10.924,697 11.776,698 3.3,701 1,705 1,715 15,720 3,722 18,730 1,741 60,743 19,744 3,745 33,747 63,748 27,749 18,750 3,751 15,752 1,756 4,757 4,767 2,768 1,770 3,772 19,773 8,774 1,777 1,782 1,786 1,793 30,794 3,796 3,802 2,808 1,809 1,829 4,855 1,859 4,868 30,876 7,880 1,881 2,893 1.7,896 1,901 14.333,902 10.4,903 6.75,904 3.812,907 2.029,908 1.278,909 0.987,910 7.074,911 9.329,912 3.784,913 4.27,914 4.756,915 5.217,916 5.672,917 5.503,918 5.791,919 5.982,920 6.162,921 6.344,922 1,923 43,924 11.148,926 4.648,927 0.026,929 7.483,931 22.079,933 18.338,936 1.983,937 59.5,941 353.133,942 172.003,943 6.249,945 25.145,948 172.003,949 378.278,950 6.249,952 19.151,953 142.144,954 29.85,955 12.252,957 353.133,959 353.133,960 178.251,961 25.145,964 282.506,965 95.772,968 22.275,969 155.976,972 353.133,973 31.394,974 172.003,977 353.133,978 29.859,979 148.392,981 25.145,982 353.133,983 31.394,984 172.003,986 0.562,987 0.325,988 0.177,989 0.098,990 19,991 7,992 0.111,993 7,995 1,996 4.32,997 256.329,999 24,1000 131.207,1005 20.529,1006 10.337,1007 5.668,1009 31.394,1010 30.4,1015 3.117,1018 556.529,1019 43,1024 13.191,1028 0.086,1031 58.901,1032 67.019,1034 0.217,1035 0.477,1036 0.625,1037 0.766,1038 0.846,1039 0.859,1040 4.98,1041 1.421,1042 5.784,1043 3.293,1044 4.466,1045 4.956,1046 1.683,1047 6.512,1048 4.429,1049 6.115,1050 1.171,1051 7.283,1052 3.043,1053 3.761,1054 4.27,1055 0.57,1056 7.244,1057 3.68,1058 7.36,1059 1,1060 8.886,1061 2.705,1062 5.969,1063 6.952,1064 1.703,1065 10.351,1066 5.883,1067 8.636,1068 1,1069 10.556,1070 2.275,1071 6.155,1072 7.102,1073 0.877,1074 11.99,1075 6.02,1076 9.946,1077 1,1078 12.271,1079 2.136,1080 7.749,1081 9.22,1082 1.856,1083 14.585,1084 7.608,1085 11.28,1086 1,1087 14.019,1088 2.136,1089 8.373,1090 9.796,1091 1.159,1092 16.606,1093 8.183,1094 12.634,1095 0.861,1096 15.792,1097 2.136,1098 9.689,1099 11.622,1100 2.065,1101 19.033,1102 9.488,1103 3.072,1104 0.279,1105 17.582,1106 2.047,1107 10.542,1108 12.449,1109 1.472,1110 21.226,1111 10.295,1112 2.724,1113 10.443,1114 19.388,1115 0.693,1116 11.73,1117 14.099,1118 2.309,1119 23.597,1120 11.465,1121 2.517,1122 7.792,1123 21.205,1124 3.791,1125 12.703,1126 15.086,1127 1.815,1128 25.871,1129 12.396,1130 2.457,1131 7.663,1132 23.032,1133 3.459,1134 13.836,1135 16.622,1136 2.579,1137 28.223,1138 13.505,1139 2.084,1140 6.942,1141 24.868,1142 3.456,1143 14.873,1144 17.715,1145 2.18,1146 30.534,1147 14.503,1148 1.9,1149 5.869,1150 26.711,1151 2.682,1152 15.984,1153 19.175,1154 2.868,1155 32.881,1156 15.588,1157 1.52,1158 4.808,1159 28.561,1160 2.614,1161 17.054,1162 20.341,1163 2.556,1164 35.209,1165 16.622,1166 12294,1167 17846,1168 22.94,1169 40.125,1170 48.572,1171 49.146,1172 48.755,1173 48.071,1174 48.009,1175 61.522,1176 5.163,1177 127.957,1178 47.239,1179 5.326,1180 5.727,1181 6.411,1182 5.078,1183 5.072,1184 6.791,1185 2.293,1186 17.573,1187 4.982,1188 6.879,1189 1.472,1190 1.489,1191 1.477,1192 1.457,1193 1.455,1194 1.864,1195 0.156,1196 3.877,1197 1.431,1198 4.006,1199 4.049,1200 3.936,1201 3.912,1202 7.428,1203 3.911,1204 3.926,1205 3.963,1206 3.852,1207 3.851,1208 4.781,1209 3.847,1210 3.851,1211 3.884,1212 3.777,1213 3.793,1214 4.745,1215 3.785,1216 3.812,1217 3.859,1218 3.697,1219 3.712,1220 4.711,1221 3.701,1222 3.488,1223 3.557,1224 3.374,1225 3.302,1226 4.322,1227 3.309,1228 3.258,1229 3.312,1230 3.152,1231 3.077,1232 4.004,1233 3.088,1234 3.111,1235 3.206,1236 2.899,1237 2.941,1238 3.772,1239 2.91,1240 3.058,1241 3.116,1242 2.866,1243 2.909,1244 3.674,1245 2.899,1246 0.131,1247 0.113,1248 0.2,1249 0.122,1250 0.093,1251 4.326,1252 0.115,1253 3.727,1254 0.036,1255 6.609,1256 0.316,1257 4.042,1258 0.09,1259 3.072,1260 3.791,1261 1.2,1262 10.443,1263 2.982,1264 1.946,1265 1.913,1266 2.104,1267 2.079,1268 1.483,1269 2.09,1270 1.923,1271 1.891,1272 2.042,1273 2.029,1274 1.177,1275 2.034,1276 1.863,1277 1.833,1278 2.006,1279 1.949,1280 1.116,1281 1.97,1282 1.826,1283 1.777,1284 1.986,1285 1.934,1286 1.049,1287 1.954,1288 1.461,1289 1.391,1290 1.711,1291 1.674,1292 0.964,1293 1.69,1294 1.211,1295 1.157,1296 1.513,1297 1.429,1298 0.825,1299 1.435,1300 1.153,1301 1.064,1302 1.455,1303 1.376,1304 0.682,1305 1.429,1306 1.051,1307 0.999,1308 1.266,1309 1.257,1310 0.432,1311 1.268,1312 4.205,1314 5.476,1316 6.952,1318 8.509,1320 10.105,1328 7.531,1332 0.673,1333 4.502,1340 37.133,1341 76.825,1342 169.094,1343 221.506,1344 271.619,1345 299.659,1346 304.413,1347 46.644,1348 7.3,1349 23.55,1350 23.55,1351 24,1352 12.333,1353 4.322,1354 3.459,1355 47.086,1356 133,1357 142,1358 0.167,1359 228.501,1360 397.91,1361 549.302,1362 14646,1364 20.598,1365 0.687,1366 0.583,1367 20.598,1368 17.49,1369 14.793,1370 0.448,1371 0.333,1372 10.905,1373 14.531,1374 10.656,1375 8.858,1376 14.793,1377 10.977,1378 12.523,1379 0.291,1380 0.19,1381 12.523,1382 8.152,1383 10.59,1384 0.193,1385 0.11,1386 10.59,1387 6.051,1388 8.578,1389 0.126,1390 0.063,1391 8.578,1392 4.279,1393 6.988,1394 0.083,1395 0.038,1396 6.988,1397 3.151,1398 0.267,1399 90.484,1400 0.209,1401 28.786,1402 0.444,1403 152,1404 341.026,1405 159.044,1406 341.319,1407 473.39,1408 322,1409 174,1410 347.27,1411 182.154,1412 357.739,1413 518.09,1414 338,1415 7.456}
{0 CHEMBL55315,1 1.476,2 10.24,3 4.06,4 16.481,5 98.98,6 7.03,7 0.429,8 3.972,9 4.097,10 3.5,11 3.503,12 5.007,13 3.478,14 4.539,15 4.719,16 3.921,17 3.942,18 5.562,19 3.897,20 4.801,21 4.991,22 3.968,23 4.118,24 5.746,25 4.036,26 4.968,27 5.227,28 3.806,29 4.086,30 5.865,31 3.958,32 4.856,33 5.127,34 3.691,35 3.87,36 5.823,37 3.752,38 4.577,39 4.803,40 3.474,41 3.618,42 5.618,43 3.544,44 4.31,45 4.521,46 3.436,47 3.541,48 5.371,49 3.463,50 4.324,51 4.529,52 3.322,53 3.524,54 5.421,55 3.439,56 0.032,57 0.707,58 10.657,59 4.41,60 8.048,61 6.018,62 0.355,63 1.175,64 20.301,65 7.522,66 31.842,67 10.624,68 0.172,69 1.475,70 26.492,71 9.955,72 26.253,73 13.983,74 0.312,75 1.6,76 33.398,77 11.068,78 42.544,79 16.31,80 0.328,81 1.286,82 30.818,83 10.427,84 50.999,85 14.842,86 0.476,87 0.935,88 23.788,89 7.397,90 53.233,91 9.671,92 0.21,93 0.827,94 16.839,95 6.207,96 27.635,97 8.524,98 0.361,99 0.835,100 17.551,101 5.61,102 41.769,103 7.628,104 17,105 42,106 0.252,107 0.603,108 0.804,109 0.874,110 0.888,111 0.888,112 3.267,113 0.925,114 -4.31,115 -4.24,116 -4.01,121 41.7,122 2,123 1,125 1,126 1,127 1,130 1,144 7,145 2,146 3,161 1,176 10,179 1,180 4,183 3,185 5,187 11,192 4,197 7,200 9,206 9,211 3,214 4,219 11,222 1,224 2,227 2,231 1,232 3,237 1,239 4,244 2,247 1,248 1,249 2,251 10,255 1,259 1,264 10,274 2,277 9,281 840,282 16.634,283 16.634,284 16.634,285 16.634,286 16.634,287 14.99,288 24.941,289 9.486,290 16.953,291 13.794,292 13.794,293 13.794,294 13.794,295 13.794,296 11.318,297 35.709,298 4.492,299 14.312,300 4.109,301 2.054,302 0.873,303 0.464,304 0.381,305 0.381,306 3.96,310 1,311 1,312 1,313 565,314 3.391,317 96.062,318 134.576,320 77.369,321 81.661,324 114.756,325 1.51,326 18.821,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 53.5,338 256,339 4.778,340 3.908,341 7.93,342 4.664,343 3.682,344 4.16,345 2.186,346 14.919,347 3.621,348 4.19,349 3.679,350 6.126,351 3.814,352 2.842,353 3.788,354 0.886,355 8.722,356 2.765,357 3.969,358 2.913,359 6.053,360 3.615,361 2.656,362 3.305,363 0.4,364 8.513,365 2.541,366 3.625,367 2.808,368 5.606,369 3.283,370 2.343,371 2.85,372 0.366,373 7.156,374 2.184,375 3.297,376 2.554,377 5.391,378 3.132,379 2.188,380 2.507,382 6.933,383 2.053,384 3.268,385 2.332,386 4.786,387 2.894,388 1.922,389 2.328,391 5.335,392 1.852,393 2.875,394 1.669,395 4.511,396 2.414,397 1.414,398 2.039,400 3.804,401 1.414,402 2.805,403 1.543,404 4.146,405 2.371,406 1.387,407 1.913,409 3.537,410 1.36,411 2.571,412 1.472,413 4.08,414 2.244,415 1.283,416 1.593,418 2.987,419 1.229,420 2.268,421 1.168,422 3.596,423 2.104,424 1.118,425 1.256,427 2.957,428 1.1,429 1.602,430 0.869,431 3.289,432 1.423,433 0.471,434 0.514,436 1.159,437 0.446,438 1.406,439 0.6,440 2.996,441 1.117,442 0.162,443 0.188,445 0.391,446 0.153,447 1.14,448 0.44,449 2.82,450 0.844,451 -0.117,452 -0.138,454 -0.286,455 -0.111,456 0.787,457 -0.023,458 2.463,459 0.421,460 -0.541,461 -0.612,463 -1.358,464 -0.513,465 0.663,466 -0.248,467 2.418,468 0.355,469 -0.653,470 -0.851,472 -1.653,473 -0.654,474 11.867,475 0.475,476 0.788,477 0.032,478 31.5,479 1.26,480 15,481 0.6,482 16.5,483 0.66,484 21.472,485 0.859,486 27.133,487 0.565,488 22.254,489 0.89,490 6.031,491 0.241,492 5.939,493 0.238,494 0.154,495 0.042,496 0.329,501 0.835,502 1.337,503 0.832,504 1.104,505 0.645,506 0.981,507 0.623,508 0.948,509 0.789,510 0.859,511 0.4,512 0.838,513 1.013,514 1.363,515 1.093,516 1.244,517 0.731,518 1.189,519 1.026,520 1.033,521 1.098,522 1.068,523 0.763,524 1.071,525 1.139,526 0.929,527 0.849,528 0.965,529 1.241,530 0.887,531 2.402,532 0.721,533 1.177,534 0.731,535 2.343,536 0.809,537 1.1,538 1.056,539 0.931,540 1.051,541 1.345,542 0.995,543 1.899,544 0.805,545 1.351,546 0.865,547 2.697,548 1.015,549 6.5,550 0.134,551 4,552 2.771,553 1.503,554 0.646,555 0.598,556 0.238,557 0.28,558 0.222,559 7423,560 16331,561 2.095,562 47.9,563 6,564 12,565 1,567 2,569 2,572 1.677,573 1.935,574 3.299,575 0.233,577 1,582 70.843,583 1.476,584 3.531,585 4.712,586 5.121,587 5.204,588 5.204,589 2.699,590 4.404,591 4.619,592 3.465,593 1039.64,594 7.971,595 12514.1,597 1,599 1,600 268.078,601 1.643,602 4.557,603 0.232,604 0.007,605 0.095,606 0.066,607 0.046,608 0.022,609 0.025,610 0.01,611 0.013,612 0.011,613 0.527,614 0.5,615 1,616 0.609,617 120.4,618 -0.033,619 -0.13,620 0.063,621 -0.032,622 -0.062,623 0.021,624 0.311,625 0.192,626 0.155,627 0.153,628 0.247,629 0.137,630 -0.094,631 -0.284,632 -0.154,633 -0.229,634 -0.024,635 -0.207,636 -0.096,637 -0.029,638 -0.116,639 -0.123,640 0.017,641 -0.112,642 0.075,643 -0.05,644 0.176,645 -0.009,646 0.095,647 0.085,648 -0.301,649 0.156,650 -0.076,651 0.21,652 -0.31,653 0.106,654 0.093,655 -0.069,656 0.056,657 -0.049,658 0.053,659 -0.017,660 -0.273,661 0.233,662 -0.318,663 0.079,664 -0.433,665 -0.1,666 2.134,667 5.237,668 0.72,669 19.712,670 0.996,671 1.126,672 3.079,673 9.478,674 0.657,675 3.367,676 3.761,677 4.078,678 4.382,679 4.585,680 4.635,681 4.804,682 4.883,683 4.898,684 4.984,685 6.075,686 0.62,687 337.46,688 3.367,689 4.949,690 5.832,691 6.751,692 7.657,693 8.583,694 9.5,695 10.431,696 11.357,697 12.292,698 6.3,701 1,703 1,705 1,715 7,720 5,722 12,734 1,737 1,741 48,743 13,744 2,745 28,747 51,748 20,749 12,750 5,751 7,756 4,757 7,763 2,764 1,766 1,767 1,770 1,772 13,773 7,777 1,782 1,786 1,790 1,793 23,794 5,795 2,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 3,868 25,876 2,877 2,878 1,880 1,881 1,882 1,893 4.2,896 1,898 1,901 12.917,902 9.45,903 5.292,904 2.853,907 2.194,908 1.29,909 0.977,910 3.971,911 9.753,912 3.584,913 4.174,914 4.691,915 5.227,916 5.712,917 5.83,918 6.159,919 6.43,920 6.55,921 6.773,922 0.857,923 42,924 9.267,926 4.01,927 0.026,929 7.623,931 17.997,933 15.359,936 2.123,937 53.083,940 1,941 247.193,942 120.911,943 39.146,945 36.145,948 120.911,949 283.338,950 39.146,951 26.047,952 22.651,953 66.334,954 43.156,955 31.252,956 18.534,957 235.422,959 247.193,960 160.057,961 36.145,964 223.651,965 59.687,968 43.426,969 98.621,970 18.011,972 247.193,973 75.291,974 120.911,977 247.193,978 28.531,979 95.505,980 36.022,981 36.145,982 247.193,983 75.291,984 120.911,986 0.601,987 0.359,988 0.195,989 0.104,990 23,991 10,992 0.059,993 3,994 2,995 1.222,996 3.683,997 215.673,998 0.222,999 18,1000 114.096,1005 16.431,1006 6.042,1007 2.794,1009 75.291,1010 13.49,1015 4.693,1017 36.022,1018 443.395,1019 35,1024 12.237,1028 -0.467,1031 47.796,1032 54.066,1034 0.264,1035 0.632,1036 0.844,1037 0.917,1038 0.932,1039 0.932,1040 4.875,1041 1.387,1042 5.878,1043 3.804,1044 4.443,1045 4.86,1046 2.41,1047 6.801,1048 4.373,1049 6.099,1050 1.283,1051 7.516,1052 3.537,1053 4.29,1054 4.758,1055 1.847,1056 8.155,1057 4.205,1058 7.438,1059 1.118,1060 9.273,1061 2.987,1062 6.184,1063 6.995,1064 3.516,1065 11.298,1066 6.062,1067 8.812,1068 0.471,1069 11.108,1070 2.957,1071 6.868,1072 7.651,1073 3.601,1074 13.567,1075 6.743,1076 10.221,1077 0.162,1078 12.999,1079 1.159,1080 8.316,1081 9.435,1082 4.909,1083 16.365,1084 8.166,1085 11.657,1086 -0.117,1087 14.932,1088 0.391,1089 9.363,1090 10.444,1091 5.291,1092 18.942,1093 9.212,1094 13.114,1095 -0.541,1096 16.897,1097 -0.286,1098 10.681,1099 12.038,1100 6.388,1101 21.666,1102 10.513,1103 3.682,1104 -0.653,1105 18.887,1106 -1.358,1107 11.878,1108 13.227,1109 6.93,1110 24.332,1111 11.704,1112 2.842,1113 14.919,1114 20.896,1115 -1.653,1116 13.167,1117 14.73,1118 7.902,1119 27.04,1120 12.979,1121 2.656,1122 8.722,1123 22.92,1124 4.16,1125 14.424,1126 16.016,1127 8.539,1128 29.732,1129 14.226,1130 2.343,1131 8.513,1132 24.956,1133 3.788,1134 15.712,1135 17.473,1136 9.436,1137 32.436,1138 15.5,1139 2.188,1140 7.156,1141 27,1142 3.305,1143 16.994,1144 18.813,1145 10.13,1146 35.135,1147 16.769,1148 1.922,1149 6.933,1150 29.051,1151 2.85,1152 18.287,1153 20.247,1154 10.981,1155 37.838,1156 18.047,1157 1.414,1158 5.335,1159 31.107,1160 2.507,1161 19.579,1162 21.618,1163 11.71,1164 40.54,1165 19.325,1166 7009,1167 10525,1168 18.493,1169 31.54,1170 43.305,1171 44.222,1172 45.028,1173 42.922,1174 42.933,1175 52.88,1176 7.677,1177 132.824,1178 41.44,1179 5.74,1180 5.908,1181 7.618,1182 5.755,1183 5.682,1184 7.16,1185 3.889,1186 23.348,1187 5.621,1188 12.477,1189 1.547,1190 1.579,1191 1.608,1192 1.533,1193 1.533,1194 1.889,1195 0.274,1196 4.744,1197 1.48,1198 4.083,1199 4.121,1200 4.028,1201 3.988,1202 7.435,1203 3.993,1204 3.926,1205 3.959,1206 3.863,1207 3.855,1208 4.855,1209 3.852,1210 3.699,1211 3.742,1212 3.615,1213 3.562,1214 4.748,1215 3.566,1216 3.383,1217 3.409,1218 3.331,1219 3.086,1220 4.454,1221 3.14,1222 3.237,1223 3.33,1224 3.037,1225 3.032,1226 4.141,1227 3.02,1228 3.169,1229 3.256,1230 2.966,1231 3.011,1232 3.914,1233 2.995,1234 3.064,1235 3.153,1236 2.923,1237 2.852,1238 3.882,1239 2.856,1240 2.951,1241 3.065,1242 2.7,1243 2.743,1244 3.841,1245 2.719,1246 0.171,1247 0.14,1248 0.283,1249 0.167,1250 0.131,1251 4.778,1252 0.149,1253 3.908,1254 0.078,1255 7.93,1256 0.533,1257 4.664,1258 0.129,1259 3.682,1260 4.16,1261 2.186,1262 14.919,1263 3.621,1264 1.918,1265 1.893,1266 2.036,1267 2.021,1268 1.31,1269 2.024,1270 1.895,1271 1.872,1272 2.001,1273 1.975,1274 1.135,1275 1.984,1276 1.608,1277 1.556,1278 1.809,1279 1.81,1280 1.022,1281 1.808,1282 1.527,1283 1.443,1284 1.781,1285 1.75,1286 0.994,1287 1.772,1288 1.214,1289 1.179,1290 1.553,1291 1.535,1292 0.604,1293 1.475,1294 1.191,1295 1.124,1296 1.453,1297 1.418,1298 0.563,1299 1.466,1300 1.015,1301 0.902,1302 1.332,1303 1.291,1304 0.417,1305 1.353,1306 0.959,1307 0.878,1308 1.27,1309 1.246,1310 0.271,1311 1.264,1312 4.043,1314 5.416,1315 3.045,1316 6.982,1317 5.587,1318 8.641,1319 7.825,1320 10.354,1322 6.368,1328 2.152,1329 6.389,1330 5.527,1332 0.304,1333 2.339,1334 0.052,1340 29.762,1341 70.843,1342 169.472,1343 226.162,1344 245.814,1345 249.814,1346 249.814,1347 36.457,1348 7.559,1349 53.6,1350 53.6,1351 22,1352 12.793,1353 3.807,1354 3,1355 36.097,1356 92,1357 83,1358 0.194,1359 180.927,1360 315.42,1361 433.223,1362 19662,1364 17.604,1365 0.704,1366 0.592,1367 17.604,1368 14.797,1369 11.97,1370 0.428,1371 0.308,1372 8.52,1373 11.555,1374 8.202,1375 6.829,1376 11.97,1377 8.63,1378 11.508,1379 0.274,1380 0.172,1381 11.508,1382 7.232,1383 9.908,1384 0.171,1385 0.095,1386 9.908,1387 5.519,1388 8.413,1389 0.106,1390 0.051,1391 8.413,1392 4,1393 6.792,1394 0.07,1395 0.028,1396 6.792,1397 2.702,1398 0.304,1399 74.691,1400 0.233,1401 24.189,1402 0.531,1403 140,1404 355.782,1405 152.998,1406 345.54,1407 481.99,1408 324,1409 170,1410 367.247,1411 182.809,1412 373.568,1413 550.82,1414 350,1415 7.398}
{0 CHEMBL553187,1 1.297,2 14.889,3 5.328,4 28.382,5 115.778,6 6.555,7 0.621,8 4.06,9 4.203,10 3.523,11 3.619,12 5.067,13 3.561,14 4.585,15 4.792,16 3.773,17 3.974,18 5.483,19 3.88,20 4.846,21 5.102,22 3.768,23 4.083,24 5.655,25 3.941,26 4.899,27 5.196,28 3.634,29 4.012,30 5.637,31 3.846,32 4.804,33 5.089,34 3.567,35 3.954,36 5.568,37 3.792,38 4.773,39 5.068,40 3.431,41 3.892,42 5.489,43 3.706,44 4.657,45 4.953,46 3.304,47 3.769,48 5.35,49 3.579,50 4.558,51 4.857,52 3.239,53 3.672,54 5.266,55 3.493,56 0.088,57 0.8,58 12.639,59 5.112,60 11.448,61 7.372,62 0.18,63 1.261,64 22.01,65 8.093,66 18.712,67 12.036,68 0.219,69 1.516,70 28.865,71 10.627,72 26.609,73 15.912,74 0.248,75 1.517,76 30.898,77 10.583,78 29.53,79 16.261,80 0.225,81 1.4,82 27.992,83 9.7,84 27.464,85 14.825,86 0.234,87 1.32,88 27.11,89 9.751,90 25.96,91 14.708,92 0.172,93 1.167,94 24.049,95 8.753,96 21.158,97 13.22,98 0.204,99 1.066,100 21.918,101 7.687,102 20.869,103 11.669,104 2,105 36,106 0.215,107 0.495,108 0.671,109 0.805,110 0.852,111 0.858,112 3.338,113 1,114 -5.74,115 -5.6,116 -5.22,121 41.8,123 3,126 1,127 3,144 12,145 2,148 1,149 1,168 1,176 15,180 5,183 1,185 2,187 14,192 8,195 1,197 2,200 9,206 8,211 1,214 6,219 6,224 1,227 8,232 3,235 1,237 2,239 8,244 1,249 2,251 7,255 1,256 1,261 2,264 6,268 1,269 1,274 2,277 6,281 1221,282 18.742,283 18.742,284 18.742,285 18.742,286 18.742,287 16.579,288 16.551,289 11.863,290 18.991,291 14.387,292 14.387,293 14.387,294 14.387,295 14.387,296 11.326,297 23.961,298 5.737,299 14.774,300 4.485,301 2.789,302 1.724,303 0.914,304 0.632,305 0.596,306 4.029,311 1,312 1,313 862,314 3.464,318 324.157,325 2.346,326 9.628,329 0.75,330 0.67,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.79,337 56,338 402,339 4.244,340 2.943,341 6.143,342 3.851,343 2.87,344 3.889,345 0.916,346 9.054,347 2.816,348 3.927,349 2.886,350 5.484,351 3.597,352 2.625,353 3.455,354 0.4,355 7.392,356 2.559,357 3.8,358 2.571,359 5.327,360 3.391,361 2.44,362 3.302,363 0.172,364 6.919,365 2.317,366 3.295,367 2.367,368 4.819,369 3.115,370 2.164,371 2.589,373 5.518,374 2.05,375 3.27,376 1.887,377 4.448,378 2.824,379 1.845,380 2.364,382 4.524,383 1.803,384 2.86,385 1.718,386 3.773,387 2.664,388 1.678,389 1.97,391 3.476,392 1.651,393 2.719,394 1.514,395 3.577,396 2.409,397 1.416,398 1.767,400 3.018,401 1.405,402 2.613,403 1.264,404 3.503,405 2.185,406 1.202,407 1.642,409 2.723,410 1.18,411 2.5,412 1.075,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.5,421 1,422 3.247,423 2,424 1,425 1.5,427 2.169,428 1,429 2.5,430 1,431 3.247,432 1.983,433 1,434 1.5,436 2.136,437 0.982,438 2.095,439 1,440 3.233,441 1.971,442 1,443 1.076,445 2.136,446 0.968,447 1.447,448 0.493,449 2.796,450 1.306,451 0.345,452 0.369,454 0.771,455 0.331,456 1.092,457 0.115,458 2.458,459 0.843,460 -0.132,461 -0.152,463 -0.318,464 -0.129,465 0.938,466 -0.16,467 2.241,468 0.675,469 -0.303,470 -0.352,472 -0.672,473 -0.295,474 13.1,475 0.485,476 0.362,477 0.013,478 34.75,479 1.287,480 18.5,481 0.685,482 16.25,483 0.602,484 20.623,485 0.764,486 28.9,487 0.525,488 22.575,489 0.836,490 6.934,491 0.257,492 6.376,493 0.236,494 0.038,496 0.183,501 0.84,502 1.265,503 0.928,504 1.114,505 0.79,506 1.043,507 1.241,508 1.135,509 1.072,510 1.062,511 0.843,512 1.055,513 1.006,514 1.137,515 1.031,516 1.089,517 0.887,518 1.067,519 1.226,520 0.968,521 0.963,522 0.901,523 1.001,524 0.909,525 1.288,526 1,527 1.048,528 0.965,529 1.172,530 0.983,531 1.076,532 0.906,533 1.029,534 0.958,535 1.1,536 0.984,537 0.998,538 1.019,539 1.007,540 1.015,541 1.025,542 1.013,543 1.159,544 0.856,545 1.009,546 0.898,547 1.123,548 0.933,549 3.5,550 0.07,551 1.778,552 0.875,553 0.604,554 0.458,555 0.321,556 0.102,557 0.123,558 0.077,559 11687,560 24524,561 2.101,562 50.9,563 2,564 21,567 1,569 4,572 1.688,573 2.051,574 3.845,575 -0.419,582 71.327,583 1.297,584 2.992,585 4.058,586 4.867,587 5.149,588 5.186,589 3.264,590 4.162,591 4.729,592 4.038,593 1417.27,594 8.138,595 20899,600 317.975,601 0.909,602 4.724,603 0.121,604 0.004,605 0.049,606 0.026,607 0.021,608 0.017,609 0.014,610 0.005,611 0.006,612 0.004,613 0.267,614 0.33,615 0.88,616 0.352,617 141.217,618 0.184,619 -0.065,620 0.058,621 -0.032,622 0.156,623 -0.003,624 -0.04,625 -0.013,626 -0.073,627 -0.052,628 0.071,629 -0.063,630 0.038,631 -0.122,632 -0.045,633 -0.103,634 0.08,635 -0.085,636 -0.061,637 -0.004,638 0.035,639 0.039,640 0.033,641 0.044,642 -0.12,643 -0.013,644 -0.051,645 -0.015,646 -0.094,647 -0.025,648 -0.029,649 0.046,650 -0.043,651 -0.003,652 -0.098,653 -0.02,654 -0.034,655 -0.082,656 -0.028,657 -0.052,658 -0.084,659 -0.042,660 -0.027,661 0.103,662 -0.015,663 0.046,664 -0.126,665 0.021,666 0.823,667 1.308,668 0.667,669 32.156,670 0.982,671 1.127,672 4.508,673 20.32,674 0.657,675 3.401,676 3.611,677 3.784,678 3.951,679 4.111,680 3.989,681 4.043,682 4.025,683 3.989,684 3.97,685 8.729,686 0.607,687 360.55,688 3.401,689 4.875,690 5.666,691 6.479,692 7.283,693 8.101,694 8.911,695 9.732,696 10.546,697 11.369,698 7.3,701 1,703 1,708 2,715 12,716 2,720 4,722 18,734 1,741 55,743 18,744 2,745 29,747 57,748 23,749 16,750 2,751 10,756 3,757 3,770 3,772 16,773 7,793 28,794 4,795 1,796 4,802 4,808 1,821 1,829 3,855 1,859 3,864 1,868 27,876 6,877 1,881 1,901 13.167,902 9.85,903 6.194,904 3.415,907 2.858,908 1.412,909 0.97,910 7.523,911 9.799,912 3.664,913 4.151,914 4.642,915 5.142,916 5.651,917 5.601,918 5.939,919 6.163,920 6.333,921 6.501,922 0.9,923 34,924 9.952,926 3.971,927 0.026,929 7.432,931 19.684,933 15.574,936 1.932,937 52.167,941 317.82,942 147.488,943 54.461,948 147.488,949 317.82,950 54.461,951 8.396,952 13.921,953 113.715,954 51.337,955 12.252,956 2.328,957 317.82,959 317.82,960 201.949,964 270.735,965 47.084,968 19.802,969 130.81,970 51.337,972 317.82,973 54.461,974 147.488,977 317.82,978 25.377,979 125.236,980 18.011,981 33.326,982 317.82,983 54.461,984 147.488,986 0.551,987 0.304,988 0.162,989 0.087,990 14,991 5,992 0.175,993 10,995 1,996 4.275,997 198.587,999 18,1000 120.382,1005 19.223,1006 10.566,1007 6.597,1009 54.461,1010 24.788,1011 8.587,1015 4.217,1017 18.011,1018 519.769,1019 38,1031 54.01,1032 61.976,1034 0.224,1035 0.518,1036 0.702,1037 0.842,1038 0.891,1039 0.897,1040 4.824,1041 1.202,1042 5.565,1043 3.018,1044 4.29,1045 4.836,1046 1.038,1047 6.217,1048 4.238,1049 5.953,1050 1,1051 7.013,1052 2.723,1053 3.434,1054 4.111,1055 0.325,1056 6.763,1057 3.319,1058 7.183,1059 1,1060 8.56,1061 2.275,1062 5.72,1063 6.871,1064 0.697,1065 9.836,1066 5.613,1067 8.449,1068 1,1069 10.172,1070 2.169,1071 5.74,1072 7.011,1073 0.393,1074 11.306,1075 5.573,1076 9.748,1077 1,1078 11.827,1079 2.136,1080 7.402,1081 9.18,1082 0.537,1083 13.815,1084 7.243,1085 11.072,1086 0.345,1087 13.514,1088 2.136,1089 7.876,1090 9.773,1091 0.384,1092 15.676,1093 7.671,1094 12.416,1095 -0.132,1096 15.224,1097 0.771,1098 9.226,1099 11.625,1100 0.438,1101 17.98,1102 9.023,1103 2.87,1104 -0.303,1105 16.951,1106 -0.318,1107 9.951,1108 12.487,1109 0.351,1110 20.02,1111 9.713,1112 2.625,1113 9.054,1114 18.692,1115 -0.672,1116 11.141,1117 14.148,1118 0.366,1119 22.248,1120 10.898,1121 2.44,1122 7.392,1123 20.443,1124 3.889,1125 12.006,1126 15.181,1127 0.312,1128 24.37,1129 11.736,1130 2.164,1131 6.919,1132 22.202,1133 3.455,1134 13.114,1135 16.723,1136 0.309,1137 26.573,1138 12.835,1139 1.845,1140 5.518,1141 23.969,1142 3.302,1143 14.056,1144 17.867,1145 0.273,1146 28.733,1147 13.756,1148 1.678,1149 4.524,1150 25.741,1151 2.589,1152 15.124,1153 19.333,1154 0.262,1155 30.93,1156 14.813,1157 1.416,1158 3.476,1159 27.519,1160 2.364,1161 16.11,1162 20.551,1163 0.236,1164 33.109,1165 15.779,1166 11105,1167 16237,1168 20.049,1169 36.16,1170 41.472,1171 41.076,1172 41.47,1173 41.219,1174 41.171,1175 53.844,1176 2.978,1177 104.218,1178 40.126,1179 5.194,1180 4.943,1181 5.969,1182 4.893,1183 4.87,1184 6.889,1185 1.605,1186 15.117,1187 4.816,1188 6.869,1189 1.43,1190 1.416,1191 1.43,1192 1.421,1193 1.42,1194 1.857,1195 0.103,1196 3.594,1197 1.384,1198 3.984,1199 4.025,1200 3.93,1201 3.902,1202 5.054,1203 3.902,1204 3.921,1205 3.959,1206 3.844,1207 3.852,1208 4.757,1209 3.845,1210 3.77,1211 3.828,1212 3.676,1213 3.635,1214 4.702,1215 3.635,1216 3.686,1217 3.746,1218 3.561,1219 3.549,1220 4.283,1221 3.546,1222 3.492,1223 3.574,1224 3.338,1225 3.296,1226 4.163,1227 3.295,1228 3.212,1229 3.303,1230 3.04,1231 3.026,1232 3.891,1233 3.016,1234 2.97,1235 3.055,1236 2.818,1237 2.837,1238 3.86,1239 2.826,1240 2.928,1241 3.007,1242 2.722,1243 2.773,1244 3.674,1245 2.748,1246 0.146,1247 0.101,1248 0.212,1249 0.133,1250 0.099,1251 4.244,1252 0.134,1253 2.943,1254 0.032,1255 6.143,1256 0.312,1257 3.851,1258 0.097,1259 2.87,1260 3.889,1261 0.916,1262 9.054,1263 2.816,1264 1.941,1265 1.912,1266 2.058,1267 2.047,1268 1.35,1269 2.047,1270 1.917,1271 1.884,1272 2.044,1273 2.02,1274 1.172,1275 2.033,1276 1.76,1277 1.699,1278 1.986,1279 1.923,1280 1.114,1281 1.946,1282 1.663,1283 1.611,1284 1.816,1285 1.832,1286 0.989,1287 1.835,1288 1.474,1289 1.394,1290 1.729,1291 1.696,1292 0.807,1293 1.714,1294 1.213,1295 1.128,1296 1.543,1297 1.454,1298 0.721,1299 1.488,1300 1.002,1301 0.921,1302 1.361,1303 1.222,1304 0.502,1305 1.275,1306 0.94,1307 0.876,1308 1.226,1309 1.15,1310 0.423,1311 1.182,1312 4.078,1314 5.313,1316 6.739,1318 8.248,1320 9.798,1322 2.19,1328 6.636,1329 3.364,1333 2.385,1340 33.407,1341 71.327,1342 164.577,1343 223.181,1344 267.71,1345 283.22,1346 285.22,1347 36.525,1348 6.941,1349 41.05,1350 41.05,1351 18,1352 11.95,1353 4.248,1354 3.322,1355 47.688,1356 145,1357 116,1358 0.154,1359 210.045,1360 356.92,1361 504.269,1362 11133,1364 18.736,1365 0.694,1366 0.593,1367 18.736,1368 16.012,1369 13.31,1370 0.459,1371 0.333,1372 9.582,1373 12.997,1374 9.317,1375 7.846,1376 13.31,1377 9.666,1378 11.015,1379 0.306,1380 0.191,1381 11.015,1382 6.881,1383 8.728,1384 0.203,1385 0.106,1386 8.728,1387 4.552,1388 6.943,1389 0.136,1390 0.06,1391 6.943,1392 3.064,1393 5.443,1394 0.091,1395 0.033,1396 5.443,1397 1.996,1398 0.261,1399 81.917,1400 0.223,1401 27.418,1402 0.377,1403 130,1404 301.268,1405 136.966,1406 305.173,1407 425.04,1408 288,1409 144,1410 316.913,1411 151.938,1412 327.496,1413 465.07,1414 307,1415 6.032}
{0 CHEMBL553212,1 1.507,2 7.188,3 0.878,4 0.771,5 64.641,6 6.381,7 0.294,8 3.647,9 3.799,10 3.084,11 3.023,12 4.682,13 2.998,14 4.21,15 4.454,16 3.344,17 3.42,18 5.02,19 3.358,20 4.42,21 4.691,22 3.223,23 3.547,24 5.163,25 3.399,26 4.451,27 4.743,28 3.163,29 3.478,30 5.209,31 3.305,32 4.387,33 4.706,34 3.087,35 3.285,36 5.209,37 3.157,38 4.197,39 4.473,40 2.917,41 3.206,42 5.079,43 3.079,44 4.095,45 4.384,46 2.784,47 3.136,48 4.869,49 2.975,50 3.931,51 4.234,52 2.382,53 2.874,54 4.691,55 2.675,56 0.083,57 0.513,58 8.935,59 2.645,60 12.491,61 4.417,62 0.198,63 0.776,64 15.918,65 4.048,66 11.866,67 7.131,68 0.266,69 0.83,70 19.32,71 5.993,72 15.663,73 9.497,74 0.244,75 0.779,76 19.8,77 5.735,78 19.685,79 9.657,80 0.27,81 0.652,82 19.019,83 4.325,84 24.164,85 7.811,86 0.284,87 0.577,88 15.791,89 4.195,90 27.097,91 6.779,92 0.21,93 0.539,94 13.943,95 3.964,96 16.222,97 6.559,98 0.13,99 0.405,100 11.753,101 3.143,102 10.921,103 5.356,104 7,105 22,106 0.284,107 0.55,108 0.726,109 0.801,110 0.812,111 0.812,112 2.852,113 1.035,114 -1.85,115 -1.91,116 -1.92,121 31.4,123 2,126 1,127 4,147 1,153 1,157 1,163 1,172 1,176 1,180 2,182 1,191 2,194 1,209 1,213 1,219 2,221 1,231 1,247 1,253 2,256 2,274 2,281 278,282 10.991,283 10.991,284 10.991,285 10.991,286 10.991,287 9.971,288 16.626,289 6.759,290 11.389,291 8.353,292 8.353,293 8.353,294 8.353,295 8.353,296 7.04,297 20.547,298 3.111,299 8.947,300 3.622,301 2.21,302 1.279,303 0.879,304 0.822,305 0.822,306 3.501,311 1,312 1,313 238,314 2.449,317 91.772,325 1.086,326 6.601,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 35,338 115,339 4.399,340 3.631,341 6.471,342 3.945,343 3.026,344 4.086,345 1.697,346 10.005,347 2.779,348 3.544,349 3.078,350 5.361,351 3.462,352 2.534,353 2.56,354 0.8,355 7.012,356 2.35,357 3.134,358 2.833,359 4.932,360 2.783,361 1.868,362 2.289,364 5.358,365 1.71,366 3.041,367 2.04,368 4.109,369 2.474,370 1.526,371 2.128,373 3.595,374 1.444,375 2.367,376 1.467,377 3.516,378 2.239,379 1.269,380 1.309,382 2.757,383 1.227,384 2.3,385 1.337,386 3.136,387 1.82,388 0.864,389 1.215,391 1.627,392 0.824,393 1.618,394 0.76,395 3,396 1.591,397 0.618,398 0.618,400 1.372,401 0.6,402 1.614,403 0.744,404 2.943,405 1.495,406 0.537,407 0.567,409 1.159,410 0.513,411 0.94,412 0.511,413 2.184,414 0.808,415 -0.157,416 -0.169,418 -0.295,419 -0.151,420 0.43,421 -0.163,422 2,423 0.115,424 -0.818,425 -0.942,427 -1.54,428 -0.763,429 0.238,430 -0.712,431 1.77,432 -0.031,433 -0.944,434 -1.096,436 -2.394,437 -0.859,438 -0.13,439 -1.22,440 1.408,441 -0.435,442 -1.386,443 -1.549,445 -3.187,446 -1.313,447 -0.313,448 -1.344,449 1,450 -0.691,451 -1.618,452 -1.618,454 -4.16,455 -1.5,456 -0.517,457 -1.511,458 0.888,459 -0.734,460 -1.678,461 -1.903,463 -4.372,464 -1.554,465 -0.597,466 -1.689,467 0.671,468 -0.819,469 -1.74,470 -2.25,471 -0.4,472 -5.004,473 -1.638,474 7.433,475 0.465,476 0.277,477 0.017,478 15.75,479 0.984,480 4.5,481 0.281,482 11.25,483 0.703,484 12.622,485 0.789,486 19.267,487 0.55,488 9.462,489 0.591,490 3.271,491 0.204,492 4.538,493 0.284,494 0.112,496 0.229,501 0.853,502 1.955,503 0.946,504 1.461,505 0.737,506 1.252,507 1.068,508 1.149,509 1.046,510 0.945,511 0.422,512 0.958,513 0.747,514 0.94,515 1.091,516 1.118,517 0.523,518 1.149,519 0.472,520 1.259,521 0.916,522 1.229,523 0.457,524 1.151,525 1.075,526 0.826,527 0.885,528 0.799,529 0.864,530 0.792,531 1.597,532 0.779,533 1.124,534 0.827,535 2.024,536 0.916,537 0.869,538 0.998,539 1.028,540 1.034,541 0.928,542 1.056,543 0.937,544 1.074,545 1.152,546 1.218,547 0.93,548 1.207,549 2.5,551 1.778,552 1.014,553 0.535,554 0.278,555 0.193,556 0.103,557 0.063,558 0.025,559 1983,560 4397,561 2.03,562 54.3,564 11,565 1,566 2,567 1,569 4,572 1.549,573 1.92,574 2.878,575 -0.168,577 1,579 1,582 52.761,583 1.507,584 2.919,585 3.851,586 4.251,587 4.308,588 4.308,589 2.281,590 3.625,591 3.972,592 2.999,593 359.901,594 6.68,595 3173.01,597 1,600 179.525,601 1.299,602 3.94,603 0.147,605 0.081,606 0.056,607 0.033,608 0.019,609 0.015,610 0.009,611 0.01,612 0.012,613 0.383,614 0.67,615 1,616 1.125,617 65.026,618 0.139,619 -0.528,620 0.077,621 -0.199,622 0.165,623 -0.096,624 -0.151,625 0.079,626 -0.036,627 0.085,628 0.021,629 0.054,630 0.002,631 0.146,632 -0.144,633 -0.069,634 0.007,635 -0.124,636 0.203,637 -0.284,638 0.009,639 -0.211,640 0.106,641 -0.143,642 -0.036,643 0.056,644 0.101,645 0.055,646 0.091,647 0.106,648 -0.232,649 0.152,650 -0.11,651 0.127,652 -0.295,653 0.031,654 0.008,655 -0.029,656 -0.076,657 -0.039,658 -0.062,659 -0.069,660 -0.099,661 -0.151,662 -0.209,663 -0.274,664 -0.088,665 -0.252,666 0.748,667 2.599,668 0.625,669 10.297,670 0.996,671 1.152,672 0.619,673 0.383,674 0.605,675 2.89,676 3.135,677 3.367,678 3.555,679 3.434,680 3.367,681 3.401,682 3.434,683 3.296,684 3.091,685 4.519,686 0.564,687 223.34,688 2.89,689 4.369,690 5.187,691 6.028,692 6.866,693 7.713,694 8.557,695 9.407,696 10.255,697 11.106,698 11.4,701 1,706 1,707 1,708 1,715 2,720 1,721 2,722 5,726 1,741 35,743 6,745 17,747 36,748 11,749 3,752 1,756 2,757 2,767 2,770 2,772 4,773 7,777 1,784 1,785 1,790 1,793 19,794 3,795 1,796 5,799 1,802 4,803 1,808 1,809 1,825 1,828 2,855 1,857 1,859 2,864 1,868 16,875 1,876 6,881 1,893 2.9,898 1,901 8.333,902 6.3,903 3.722,904 2.214,907 1.187,908 1.207,909 0.912,910 3.959,911 6.917,912 3.068,913 3.534,914 4.014,915 4.498,916 4.535,917 4.558,918 4.673,919 4.713,920 4.609,921 4.59,922 0.8,923 18,924 5.882,926 2.341,927 0.026,929 7.604,931 11.609,933 9.263,936 2.104,937 33.667,938 0.005,941 211.88,942 51.358,943 20.17,945 42.806,948 51.358,949 254.686,950 20.17,951 8.396,952 13.492,953 9.047,954 36.817,955 70.124,956 11.771,957 176.567,959 211.88,960 71.528,961 42.806,964 164.795,965 89.89,968 43.138,969 17.444,970 10.947,972 211.88,973 62.976,974 51.358,977 211.88,978 15.82,979 42.461,981 56.053,982 211.88,983 62.976,984 51.358,986 0.556,987 0.329,988 0.182,989 0.079,990 10,991 4,992 0.111,993 4,995 1,996 2.921,997 100.476,999 10,1000 58,1005 11.61,1006 5.456,1007 2.841,1009 59.177,1010 3.994,1015 0.918,1016 4.057,1017 42.806,1018 326.214,1019 20.5,1026 1.476,1027 3.099,1031 34.862,1032 40.317,1034 0.294,1035 0.569,1036 0.751,1037 0.829,1038 0.84,1039 0.84,1040 4.266,1041 0.537,1042 5.13,1043 1.372,1044 3.807,1045 4.212,1046 2.044,1047 5.878,1048 3.669,1049 5.407,1050 -0.157,1051 6.648,1052 1.159,1053 3.219,1054 3.861,1055 0.325,1056 6.698,1057 2.943,1058 6.672,1059 -0.818,1060 8.273,1061 -0.295,1062 5.323,1063 6.263,1064 2.893,1065 9.775,1066 5.021,1067 7.983,1068 -0.944,1069 9.965,1070 -1.54,1071 5.673,1072 6.915,1073 0.268,1074 11.509,1075 5.235,1076 9.335,1077 -1.386,1078 11.702,1079 -2.394,1080 7.155,1081 8.709,1082 3.893,1083 14.062,1084 6.678,1085 10.717,1086 -1.618,1087 13.469,1088 -3.187,1089 7.923,1090 9.804,1091 0.188,1092 16.142,1093 7.325,1094 12.121,1095 -1.678,1096 15.259,1097 -4.16,1098 9.165,1099 11.365,1100 4.933,1101 18.53,1102 8.51,1103 3.026,1104 -1.74,1105 17.064,1106 -4.372,1107 10.117,1108 12.647,1109 0.125,1110 20.745,1111 9.356,1112 2.534,1113 10.005,1114 18.883,1115 -5.004,1116 11.267,1117 14.117,1118 5.985,1119 23.078,1120 10.435,1121 1.868,1122 7.012,1123 20.71,1124 4.086,1125 12.3,1126 15.474,1127 0.082,1128 25.345,1129 11.371,1130 1.526,1131 5.358,1132 22.546,1133 2.56,1134 13.416,1135 16.908,1136 7.041,1137 27.658,1138 12.409,1139 1.269,1140 3.595,1141 24.388,1142 2.289,1143 14.485,1144 18.295,1145 0.054,1146 29.946,1147 13.386,1148 0.864,1149 2.757,1150 26.234,1151 2.128,1152 15.589,1153 19.713,1154 8.098,1155 32.253,1156 14.409,1157 0.618,1158 1.627,1159 28.084,1160 1.309,1161 16.675,1162 21.113,1163 0.035,1164 34.55,1165 15.406,1166 2035,1167 3111,1168 11.326,1169 21.188,1170 24.741,1171 26.342,1172 25.524,1173 24.559,1174 24.482,1175 29.544,1176 4.994,1177 65.773,1178 22.891,1179 5.35,1180 5.501,1181 6.23,1182 5.011,1183 5.026,1184 6.794,1185 3.394,1186 16.516,1187 4.656,1188 6.619,1189 1.455,1190 1.55,1191 1.501,1192 1.445,1193 1.44,1194 1.738,1195 0.294,1196 3.869,1197 1.347,1198 4.04,1199 4.107,1200 3.987,1201 3.829,1202 6.546,1203 3.86,1204 3.83,1205 3.902,1206 3.7,1207 3.658,1208 4.834,1209 3.659,1210 3.355,1211 3.443,1212 3.191,1213 3.162,1214 4.332,1215 3.151,1216 3.25,1217 3.316,1218 3.141,1219 2.953,1220 4.041,1221 2.987,1222 3.01,1223 3.117,1224 2.768,1225 2.782,1226 3.893,1227 2.76,1228 2.869,1229 2.979,1230 2.583,1231 2.671,1232 3.61,1233 2.635,1234 2.655,1235 2.776,1236 2.407,1237 2.38,1238 3.209,1239 2.37,1240 2.419,1241 2.491,1242 2.207,1243 2.021,1244 3.159,1245 2.045,1246 0.259,1247 0.214,1248 0.381,1249 0.232,1250 0.178,1251 4.399,1252 0.24,1253 3.631,1254 0.1,1255 6.471,1256 0.589,1257 3.945,1258 0.163,1259 3.026,1260 4.086,1261 1.697,1262 10.005,1263 2.779,1264 1.714,1265 1.644,1266 1.897,1267 1.955,1268 1.211,1269 1.939,1270 1.588,1271 1.516,1272 1.86,1273 1.833,1274 1.199,1275 1.825,1276 1.577,1277 1.507,1278 1.786,1279 1.751,1280 0.904,1281 1.793,1282 1.425,1283 1.35,1284 1.635,1285 1.67,1286 0.844,1287 1.665,1288 1.096,1289 1.013,1290 1.385,1291 1.424,1292 0.52,1293 1.401,1294 0.978,1295 0.88,1296 1.337,1297 1.229,1298 0.344,1299 1.276,1300 0.578,1301 0.476,1302 0.941,1303 0.975,1304 0.094,1305 0.97,1306 0.312,1307 0.156,1308 0.883,1309 0.675,1310 0.07,1311 0.756,1312 3.555,1314 4.812,1315 3.045,1316 6.244,1317 5.283,1318 7.761,1319 7.248,1320 9.327,1322 1.948,1327 8.599,1328 7.103,1333 2.472,1340 19.751,1341 52.761,1342 102.167,1343 134.77,1344 148.77,1345 150.77,1346 150.77,1347 18.205,1348 5.73,1349 44.64,1350 44.64,1351 10,1352 11.663,1353 2.807,1354 2.17,1355 26.003,1356 42,1357 39,1358 0.306,1359 125.354,1360 209.43,1361 297.625,1362 1792,1364 11.38,1365 0.711,1366 0.61,1367 11.38,1368 9.764,1369 7.809,1370 0.459,1371 0.345,1372 5.744,1373 7.328,1374 5.621,1375 4.686,1376 7.809,1377 5.866,1378 6.495,1379 0.295,1380 0.199,1381 6.495,1382 4.371,1383 5.372,1384 0.192,1385 0.116,1386 5.372,1387 3.254,1388 4.331,1389 0.127,1390 0.067,1391 4.331,1392 2.275,1393 2.685,1394 0.089,1395 0.038,1396 2.685,1397 1.153,1398 0.47,1399 50.011,1400 0.297,1401 16.341,1402 0.862,1403 78,1404 205.418,1405 87.127,1406 197.493,1407 266.12,1408 184,1409 89,1410 198.407,1411 99.544,1412 197.511,1413 278.7,1414 184,1415 4.747}
{0 CHEMBL553498,1 1.489,2 9,3 3.232,4 10.445,5 73.92,6 6.982,7 0.3,8 3.686,9 3.812,10 3.187,11 3.196,12 4.783,13 3.169,14 4.222,15 4.406,16 3.5,17 3.557,18 5.313,19 3.494,20 4.454,21 4.684,22 3.476,23 3.649,24 5.4,25 3.557,26 4.425,27 4.645,28 3.423,29 3.598,30 5.452,31 3.506,32 4.396,33 4.629,34 3.305,35 3.493,36 5.452,37 3.396,38 4.178,39 4.401,40 3.16,41 3.373,42 5.213,43 3.275,44 4.097,45 4.32,46 3.057,47 3.255,48 5.214,49 3.141,50 4.026,51 4.294,52 2.703,53 3.049,54 5.054,55 2.908,56 0.023,57 0.517,58 8.113,59 3.36,60 8.17,61 4.554,62 0.289,63 0.81,64 15.044,65 5.485,66 29.169,67 7.785,68 0.185,69 0.943,70 19.694,71 6.876,72 30.174,73 9.784,74 0.186,75 0.895,76 19.17,77 6.707,78 34.528,79 9.356,80 0.311,81 0.821,82 19.256,83 6.297,84 43.969,85 8.733,86 0.176,87 0.692,88 15.022,89 5.324,90 28.173,91 7.369,92 0.182,93 0.645,94 13.746,95 4.92,96 29.891,97 6.903,98 0.196,99 0.563,100 13.408,101 4.083,102 38.214,103 5.989,104 23,105 26,106 0.273,107 0.674,108 0.868,109 0.891,110 0.891,111 0.891,112 3.009,113 0.974,114 -3.52,115 -3.49,116 -3.34,121 40.5,122 1,123 2,127 2,129 1,142 1,143 1,144 3,145 2,146 1,161 1,176 7,179 1,180 2,183 2,185 4,187 8,192 2,197 4,200 6,206 5,211 3,214 3,219 4,222 1,224 3,227 5,232 1,237 1,239 6,244 3,247 1,248 1,249 2,251 4,256 1,264 2,269 1,274 2,277 2,281 436,282 13.016,283 13.016,284 13.016,285 13.016,286 13.016,287 11.955,288 19.467,289 8.105,290 13.292,291 9.829,292 9.829,293 9.829,294 9.829,295 9.829,296 8.063,297 23.534,298 3.744,299 10.22,300 3.721,301 1.528,302 0.473,303 0.345,304 0.345,305 0.345,306 3.669,310 1,311 1,312 1,313 347,314 3.317,317 42.947,318 48.394,321 76.54,325 1.368,326 16.747,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 41,338 171,339 4.381,340 3.667,341 6.547,342 4.082,343 3.094,344 3.98,345 2.186,346 10.364,347 3.058,348 3.8,349 3.354,350 5.458,351 3.466,352 2.537,353 3.065,354 0.911,355 7.299,356 2.338,357 3.51,358 2.627,359 5.123,360 3.08,361 2.111,362 2.608,363 0.44,364 6.003,365 2.033,366 3.397,367 2.475,368 4.784,369 2.893,370 1.92,371 2.321,372 0.366,373 5.367,374 1.859,375 3.133,376 2.129,377 4.155,378 2.437,379 1.456,380 2.006,382 3.529,383 1.427,384 2.577,385 1.511,386 3.455,387 2.202,388 1.212,389 1.521,391 2.582,392 1.198,393 2.131,394 1.375,395 3.228,396 1.984,397 1.023,398 1.089,400 1.798,401 0.974,402 2.015,403 0.996,404 3.087,405 1.727,406 0.74,407 0.883,409 1.536,410 0.728,411 1.699,412 0.678,413 2.51,414 1.171,415 0.211,416 0.279,418 0.363,419 0.201,420 1.143,421 0.423,422 2.435,423 0.781,424 -0.154,425 -0.181,427 -0.335,428 -0.143,429 0.687,430 -0.017,431 2.143,432 0.429,433 -0.577,434 -0.665,436 -0.932,437 -0.567,438 0.609,439 -0.386,440 2,441 0.205,442 -0.782,443 -1.038,445 -1.678,446 -0.773,447 0.527,448 -0.575,449 1.68,450 0.141,451 -0.859,452 -1.164,454 -2.404,455 -0.86,456 0.151,457 -0.809,458 1.347,459 -0.154,460 -1.139,461 -1.468,463 -2.708,464 -1.118,465 -0.371,466 -0.996,467 1.151,468 -0.551,469 -1.528,470 -1.835,472 -3.578,473 -1.469,474 8.967,475 0.472,476 0.345,477 0.018,478 21.75,479 1.145,480 10,481 0.526,482 11.75,483 0.618,484 14.314,485 0.753,486 21.033,487 0.568,488 14.397,489 0.758,490 4.347,491 0.229,492 4.893,493 0.258,494 0.149,496 0.279,501 0.832,502 1.304,503 0.863,504 1.134,505 0.641,506 1.014,507 0.59,508 1.076,509 0.912,510 1.038,511 0.432,512 1.017,513 1.044,514 1.043,515 0.964,516 0.997,517 0.78,518 0.969,519 1.209,520 1.101,521 1.052,522 1.093,523 1.038,524 1.057,525 1.475,526 0.913,527 1.087,528 0.919,529 1.508,530 0.95,531 1.267,532 0.975,533 1.046,534 0.965,535 1.134,536 0.979,537 0.931,538 1.151,539 1.078,540 1.211,541 1.217,542 1.184,543 1.366,544 0.891,545 1.173,546 0.908,547 1.718,548 0.988,549 3.5,550 0.017,551 1.778,552 1.229,553 0.733,554 0.424,555 0.406,556 0.231,557 0.121,558 0.065,559 3031,560 8157,561 1.995,562 48.6,563 2,564 8,565 1,567 2,569 5,572 1.603,573 1.869,574 3.155,575 0.341,577 1,579 1,582 55.088,583 1.489,584 3.682,585 4.736,586 4.865,587 4.865,588 4.865,589 2.695,590 4.143,591 4.21,592 3.256,593 556.693,594 7.178,595 5519.56,596 1,597 1,599 1,600 192.75,601 1.384,602 4.178,603 0.175,604 0.004,605 0.068,606 0.049,607 0.032,608 0.021,609 0.023,610 0.015,611 0.012,612 0.009,613 0.409,614 0.67,615 1,616 1.893,617 82.995,618 -0.05,619 -0.088,620 0.032,621 -0.039,622 -0.032,623 0.005,624 0.329,625 0.041,626 0.03,627 -0.022,628 0.199,629 -0.037,630 -0.082,631 -0.043,632 0.003,633 -0.014,634 -0.038,635 0.006,636 -0.111,637 -0.117,638 -0.074,639 -0.108,640 -0.046,641 -0.088,642 -0.12,643 0.024,644 -0.068,645 0.035,646 -0.166,647 -0.006,648 -0.156,649 -0.006,650 -0.067,651 0.028,652 -0.154,653 -0.003,654 0.088,655 -0.165,656 -0.111,657 -0.228,658 -0.052,659 -0.213,660 -0.213,661 0.049,662 -0.162,663 0.002,664 -0.19,665 -0.058,666 2.089,667 4.391,668 0.474,669 15.934,670 0.998,671 1.128,672 2.289,673 5.238,674 0.649,675 3.045,676 3.296,677 3.526,678 3.784,679 3.932,680 4.007,681 4.111,682 4.159,683 3.951,684 3.829,685 5.183,686 0.613,687 258.35,688 3.045,689 4.533,690 5.352,691 6.209,692 7.059,693 7.931,694 8.795,695 9.674,696 10.547,697 11.429,698 5.4,700 1,705 1,715 3,720 3,722 6,737 1,741 37,743 8,744 1,745 20,747 38,748 15,749 6,750 3,751 3,756 2,757 3,763 1,767 3,770 3,771 2,772 7,773 6,777 1,782 1,786 1,789 1,790 1,793 18,794 4,795 2,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,836 1,837 1,853 1,859 1,864 1,868 19,876 4,877 2,878 1,880 1,885 1,886 1,891 1,893 5.4,896 1,898 1,901 10.167,902 6.75,903 4.472,904 2.361,907 1.495,908 1.237,909 0.937,910 4.7,911 7.788,912 3.296,913 3.726,914 4.163,915 4.667,916 5.127,917 5.319,918 5.606,919 5.819,920 5.623,921 5.688,922 1,923 25,924 6.997,926 2.836,927 0.026,929 7.816,931 13.369,933 10.569,936 2.316,937 44,938 0.001,941 188.338,942 105.263,943 36.022,945 36.145,948 105.263,949 224.482,950 36.022,951 8.825,952 27.291,953 46.439,954 25.145,955 22.614,956 58.885,957 176.567,959 188.338,960 141.285,961 36.145,964 129.482,965 95,968 54.127,969 70.127,970 17.031,972 188.338,973 72.166,974 105.263,977 188.338,978 27.658,979 37.254,980 53.052,981 59.466,982 188.338,983 72.166,984 105.263,986 0.549,987 0.312,988 0.176,989 0.094,990 11,991 5,992 0.132,993 5,994 1,995 1.222,996 3.159,997 129.611,998 0.222,999 9,1000 80.711,1005 13.762,1006 6.489,1007 3.42,1009 72.166,1010 5.769,1015 3.036,1017 36.022,1018 365.767,1019 26,1024 11.391,1028 -0.423,1031 36.927,1032 41.737,1034 0.286,1035 0.707,1036 0.909,1037 0.934,1038 0.934,1039 0.934,1040 4.516,1041 0.74,1042 5.303,1043 1.798,1044 3.97,1045 4.407,1046 2.45,1047 6.071,1048 3.901,1049 5.681,1050 0.211,1051 6.828,1052 1.536,1053 3.434,1054 4.086,1055 1.784,1056 6.899,1057 3.346,1058 6.959,1059 -0.154,1060 8.456,1061 0.363,1062 5.501,1063 6.43,1064 3.533,1065 10.001,1066 5.37,1067 8.269,1068 -0.577,1069 10.149,1070 -0.335,1071 5.832,1072 6.958,1073 3.59,1074 11.714,1075 5.696,1076 9.61,1077 -0.782,1078 11.883,1079 -0.932,1080 7.336,1081 8.782,1082 4.914,1083 14.315,1084 7.17,1085 10.973,1086 -0.859,1087 13.647,1088 -1.678,1089 8.086,1090 9.716,1091 5.289,1092 16.399,1093 7.924,1094 12.354,1095 -1.139,1096 15.434,1097 -2.404,1098 9.356,1099 11.321,1100 6.389,1101 18.829,1102 9.175,1103 3.094,1104 -1.528,1105 17.238,1106 -2.708,1107 10.308,1108 12.463,1109 6.93,1110 21.066,1111 10.131,1112 2.537,1113 10.364,1114 19.057,1115 -3.578,1116 11.484,1117 13.963,1118 7.902,1119 23.436,1120 11.295,1121 2.111,1122 7.299,1123 20.886,1124 3.98,1125 12.529,1126 15.213,1127 8.539,1128 25.734,1129 12.341,1130 1.92,1131 6.003,1132 22.725,1133 3.065,1134 13.669,1135 16.66,1136 9.436,1137 28.083,1138 13.473,1139 1.456,1140 5.367,1141 24.571,1142 2.608,1143 14.757,1144 17.968,1145 10.13,1146 30.405,1147 14.558,1148 1.212,1149 3.529,1150 26.424,1151 2.321,1152 15.885,1153 19.386,1154 10.981,1155 32.747,1156 15.679,1157 1.023,1158 2.582,1159 28.281,1160 2.006,1161 16.993,1162 20.726,1163 11.71,1164 35.078,1165 16.782,1166 3173,1167 5276,1168 13.118,1169 24.012,1170 29.886,1171 29.92,1172 30.075,1173 28.625,1174 28.607,1175 35.505,1176 7.808,1177 77.682,1178 27.634,1179 5.268,1180 5.667,1181 6.409,1182 5.142,1183 5.094,1184 6.98,1185 3.889,1186 17.022,1187 5.058,1188 9.49,1189 1.494,1190 1.496,1191 1.504,1192 1.431,1193 1.43,1194 1.775,1195 0.39,1196 3.884,1197 1.382,1198 4.031,1199 4.06,1200 3.97,1201 3.962,1202 7.435,1203 3.96,1204 3.643,1205 3.701,1206 3.552,1207 3.446,1208 5.432,1209 3.452,1210 3.557,1211 3.622,1212 3.444,1213 3.375,1214 4.812,1215 3.385,1216 3.393,1217 3.445,1218 3.255,1219 3.273,1220 4.345,1221 3.26,1222 3.158,1223 3.195,1224 3.018,1225 2.901,1226 4.176,1227 2.926,1228 2.984,1229 3.056,1230 2.84,1231 2.801,1232 3.99,1233 2.814,1234 2.736,1235 2.824,1236 2.559,1237 2.535,1238 3.656,1239 2.529,1240 2.556,1241 2.639,1242 2.391,1243 2.387,1244 3.543,1245 2.377,1246 0.219,1247 0.183,1248 0.327,1249 0.204,1250 0.155,1251 4.381,1252 0.199,1253 3.667,1254 0.109,1255 6.547,1256 0.518,1257 4.082,1258 0.153,1259 3.094,1260 3.98,1261 2.186,1262 10.364,1263 3.058,1264 1.893,1265 1.875,1266 1.986,1267 1.985,1268 1.187,1269 1.984,1270 1.636,1271 1.575,1272 1.855,1273 1.829,1274 1.174,1275 1.839,1276 1.55,1277 1.473,1278 1.842,1279 1.806,1280 0.988,1281 1.819,1282 1.43,1283 1.379,1284 1.652,1285 1.58,1286 0.728,1287 1.609,1288 1.118,1289 1.093,1290 1.304,1291 1.412,1292 0.444,1293 1.376,1294 0.955,1295 0.9,1296 1.221,1297 1.189,1298 0.22,1299 1.21,1300 0.772,1301 0.705,1302 1.074,1303 0.974,1304 0.158,1305 1.012,1306 0.658,1307 0.564,1308 1.018,1309 0.922,1311 0.957,1312 3.714,1314 4.977,1315 2.398,1316 6.435,1317 4.727,1318 7.993,1319 6.823,1320 9.612,1322 1.851,1328 3.155,1329 5.905,1330 5.215,1332 0.254,1337 5.266,1339 2.582,1340 22.687,1341 55.088,1342 136.22,1343 175.24,1344 179.995,1345 179.995,1346 179.995,1347 29.472,1348 6.293,1349 50.36,1350 50.36,1351 11,1352 11.966,1353 3.17,1354 2.807,1355 33.667,1356 58,1357 63,1358 0.296,1359 143.885,1360 256.18,1361 342.841,1362 3656,1364 13.665,1365 0.719,1366 0.581,1367 13.665,1368 11.032,1369 9.241,1370 0.462,1371 0.325,1372 6.413,1373 8.9,1374 6.257,1375 5.223,1376 9.241,1377 6.496,1378 7.712,1379 0.297,1380 0.171,1381 7.712,1382 4.457,1383 6.116,1384 0.185,1385 0.096,1386 6.116,1387 3.177,1388 5.156,1389 0.12,1390 0.054,1391 5.156,1392 2.326,1393 3.805,1394 0.076,1395 0.029,1396 3.805,1397 1.451,1398 0.456,1399 57.746,1400 0.276,1401 19.119,1402 0.825,1403 92,1404 274.137,1405 102.195,1406 263.653,1407 354.19,1408 246,1409 105,1410 255.008,1411 113.48,1412 256.234,1413 371.6,1414 241,1415 4.863}
{0 CHEMBL553599,1 1.42,2 11.44,3 4.673,4 21.832,5 98.682,6 7.116,7 0.444,8 3.925,9 4.043,10 3.456,11 3.488,12 5.021,13 3.455,14 4.456,15 4.632,16 3.78,17 3.864,18 5.51,19 3.803,20 4.694,21 4.895,22 3.8,23 3.984,24 5.668,25 3.888,26 4.793,27 5.028,28 3.708,29 3.926,30 5.775,31 3.823,32 4.671,33 4.902,34 3.701,35 3.85,36 5.714,37 3.758,38 4.607,39 4.822,40 3.599,41 3.778,42 5.701,43 3.691,44 4.513,45 4.743,46 3.496,47 3.674,48 5.603,49 3.574,50 4.346,51 4.567,52 3.331,53 3.587,54 5.396,55 3.483,56 0.028,57 0.638,58 9.871,59 4.366,60 9.239,61 5.777,62 0.331,63 1.049,64 18.399,65 7.041,66 27.175,67 9.714,68 0.132,69 1.262,70 23.791,71 9.558,72 27.738,73 13.024,74 0.346,75 1.317,76 28.298,77 9.834,78 52.702,79 13.281,80 0.251,81 1.182,82 24.46,83 8.973,84 38.449,85 12.292,86 0.281,87 1.069,88 23.22,89 8.391,90 47.279,91 10.965,92 0.295,93 0.984,94 21.196,95 7.791,96 45.205,97 10.433,98 0.217,99 0.864,100 17.587,101 6.4,102 41.386,103 8.641,104 13,105 36,106 0.242,107 0.6,108 0.78,109 0.853,110 0.873,111 0.873,112 3.266,113 0.937,114 -4.69,115 -4.61,116 -4.33,121 44.7,123 2,126 1,127 2,129 1,142 1,143 1,144 8,145 3,146 1,161 1,176 13,179 3,180 3,185 3,187 14,192 4,197 4,200 9,206 9,211 1,214 3,219 11,222 1,224 1,227 5,232 6,239 6,244 7,247 2,251 8,256 1,264 10,269 2,274 1,277 10,281 940,282 17.077,283 17.077,284 17.077,285 17.077,286 17.077,287 15.289,288 22.225,289 10.432,290 17.351,291 13.315,292 13.315,293 13.315,294 13.315,295 13.315,296 10.537,297 28.657,298 4.95,299 13.742,300 4.135,301 2.038,302 0.984,303 0.559,304 0.442,305 0.442,306 3.949,311 1,312 1,313 607,314 3.674,317 62.566,318 159.934,321 109.589,325 1.738,326 19.374,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 53,338 286,339 4.382,340 3.782,341 6.547,342 4.083,343 3.096,344 3.981,345 2.209,346 10.365,347 3.058,348 4.02,349 3.358,350 5.96,351 3.741,352 2.799,353 3.468,354 0.911,355 8.373,356 2.637,357 3.818,358 2.794,359 5.373,360 3.432,361 2.46,362 3.138,363 0.796,364 7.065,365 2.371,366 3.54,367 2.621,368 5.201,369 3.183,370 2.22,371 2.764,372 0.44,373 6.35,374 2.128,375 3.474,376 2.478,377 5.081,378 2.932,379 1.965,380 2.329,381 0.247,382 5.891,383 1.895,384 3.141,385 2.13,386 4.17,387 2.486,388 1.49,389 2.077,391 3.585,392 1.479,393 2.918,394 1.984,395 3.873,396 2.437,397 1.456,398 2.006,400 3.257,401 1.427,402 2.578,403 1.457,404 3.506,405 2.208,406 1.22,407 1.523,409 2.643,410 1.203,411 2.5,412 1.375,413 3.447,414 2.004,415 1.04,416 1.5,418 2.485,419 1,420 2.355,421 1,422 3.247,423 2,424 1,425 1.263,427 2.136,428 0.988,429 2.018,430 0.995,431 3.197,432 1.719,433 0.731,434 0.879,436 1.621,437 0.72,438 1.697,439 0.667,440 2.779,441 1.167,442 0.203,443 0.272,445 0.35,446 0.195,447 1.142,448 0.415,449 2.437,450 0.788,451 -0.166,452 -0.198,454 -0.406,455 -0.157,456 1.018,457 0.119,458 2.348,459 0.706,460 -0.28,461 -0.347,463 -0.636,464 -0.272,465 0.618,466 -0.278,467 2.08,468 0.205,469 -0.775,470 -1.004,472 -1.675,473 -0.752,474 11.967,475 0.479,476 0.503,477 0.02,478 31.5,479 1.26,480 16,481 0.64,482 15.5,483 0.62,484 19.094,485 0.764,486 26.433,487 0.562,488 22.913,489 0.917,490 6.444,491 0.258,492 5.725,493 0.229,494 0.111,496 0.284,501 0.789,502 1.262,503 0.827,504 1.079,505 0.626,506 0.972,507 0.701,508 0.962,509 0.938,510 0.93,511 0.494,512 0.944,513 0.943,514 1.287,515 1.031,516 1.232,517 0.728,518 1.158,519 1.641,520 0.975,521 1.11,522 0.929,523 1.434,524 0.952,525 1.166,526 1.028,527 0.946,528 1.016,529 1.111,530 0.962,531 1.795,532 0.955,533 1.113,534 0.962,535 1.631,536 0.964,537 1.38,538 0.915,539 1.004,540 0.95,541 1.565,542 0.945,543 1.493,544 0.902,545 1.146,546 0.894,547 1.776,548 0.964,549 4.5,550 0.089,551 2.444,552 1.417,553 1.284,554 0.598,555 0.549,556 0.373,557 0.157,558 0.158,559 7450,560 18157,561 2.062,562 46.8,563 2,564 16,565 1,567 1,569 2,572 1.678,573 1.948,574 3.484,575 -0.396,582 66.72,583 1.42,584 3.517,585 4.57,586 4.996,587 5.113,588 5.113,589 2.953,590 4.404,591 4.613,592 3.619,593 1085.64,594 7.968,595 13506.4,597 1,600 261.066,601 1.323,602 4.583,603 0.167,604 0.005,605 0.068,606 0.04,607 0.041,608 0.019,609 0.02,610 0.015,611 0.007,612 0.009,613 0.391,614 0.33,615 1,616 1.11,617 122.217,618 -0.008,619 -0.13,620 0.051,621 -0.051,622 -0.021,623 -0.002,624 0.283,625 0.149,626 0.003,627 0.044,628 0.132,629 0.002,630 -0.012,631 -0.282,632 -0.082,633 -0.24,634 0.005,635 -0.181,636 -0.195,637 -0.006,638 -0.077,639 0.019,640 -0.146,641 -0.01,642 0.043,643 -0.05,644 0.06,645 -0.053,646 0.036,647 -0.001,648 -0.2,649 -0.006,650 -0.079,651 0.005,652 -0.165,653 -0.019,654 0.018,655 0.033,656 0.021,657 0.018,658 -0.059,659 0.013,660 -0.239,661 0.098,662 -0.148,663 0.071,664 -0.196,665 -0.012,666 2.032,667 5.332,668 0.6,669 23.392,670 0.993,671 1.118,672 3.462,673 11.984,674 0.671,675 3.332,676 3.611,677 3.85,678 4.078,679 4.263,680 4.263,681 4.382,682 4.477,683 4.369,684 4.382,685 6.567,686 0.633,687 334.45,688 3.332,689 4.844,690 5.673,691 6.529,692 7.381,693 8.245,694 9.106,695 9.975,696 10.842,697 11.714,698 4.3,700 1,705 1,715 8,720 4,722 12,737 1,741 47,743 14,744 2,745 27,747 49,748 21,749 12,750 4,751 8,756 3,757 4,767 3,770 3,771 2,772 13,773 6,777 1,782 1,786 1,790 1,793 22,794 4,795 1,796 4,802 2,808 0.667,809 2,828 1,829 2,832 1,836 1,837 1,853 1,859 2,864 1,868 25,876 4,877 1,878 1,880 1,881 1,885 1,886 1,891 1,893 4.3,896 1,898 1,901 12.833,902 8.617,903 5.667,904 2.76,907 2.22,908 1.316,909 0.965,910 5.626,911 9.247,912 3.611,913 4.094,914 4.564,915 5.043,916 5.529,917 5.576,918 5.859,919 6.115,920 6.067,921 6.209,922 0.875,923 35,924 9.231,926 3.819,927 0.026,929 7.707,931 17.753,933 14.339,936 2.207,937 55.167,940 1,941 247.193,942 155.401,943 21.135,945 36.145,948 155.401,949 283.338,950 21.135,951 8.396,952 12.405,953 93.821,954 25.145,955 25.8,956 58.885,957 235.422,959 247.193,960 176.536,961 36.145,964 223.651,965 59.687,968 30.416,969 129.09,970 17.031,972 247.193,973 57.28,974 155.401,977 247.193,978 30.843,979 87.331,980 35.041,981 59.466,982 247.193,983 57.28,984 155.401,986 0.565,987 0.326,988 0.173,989 0.097,990 16,991 7,992 0.122,993 6,994 1,995 1.133,996 3.793,997 195.717,998 0.133,999 15,1000 112.096,1005 17.384,1006 8.091,1007 4.347,1009 57.28,1010 15.684,1015 4.089,1017 18.011,1018 459.874,1019 36,1024 12.332,1028 -0.366,1031 46.694,1032 52.567,1034 0.256,1035 0.633,1036 0.823,1037 0.899,1038 0.92,1039 0.92,1040 4.836,1041 1.22,1042 5.631,1043 3.257,1044 4.29,1045 4.779,1046 2.547,1047 6.395,1048 4.229,1049 6.01,1050 1.04,1051 7.159,1052 2.643,1053 3.761,1054 4.369,1055 1.847,1056 7.195,1057 3.657,1058 7.286,1059 1,1060 8.787,1061 2.485,1062 5.832,1063 6.823,1064 3.583,1065 10.29,1066 5.708,1067 8.592,1068 0.731,1069 10.477,1070 2.136,1071 6.155,1072 7.232,1073 3.66,1074 11.952,1075 5.994,1076 9.929,1077 0.203,1078 12.206,1079 1.621,1080 7.662,1081 9.153,1082 4.969,1083 14.542,1084 7.486,1085 11.286,1086 -0.166,1087 13.964,1088 0.35,1089 8.389,1090 9.967,1091 5.375,1092 16.575,1093 8.187,1094 12.659,1095 -0.28,1096 15.741,1097 -0.406,1098 9.658,1099 11.643,1100 6.464,1101 18.991,1102 9.444,1103 3.096,1104 -0.775,1105 17.534,1106 -0.636,1107 10.583,1108 12.68,1109 7.034,1110 21.19,1111 10.351,1112 2.799,1113 10.365,1114 19.339,1115 -1.675,1116 11.753,1117 14.225,1118 8,1119 23.546,1120 11.51,1121 2.46,1122 8.373,1123 21.154,1124 3.981,1125 12.774,1126 15.394,1127 8.661,1128 25.819,1129 12.518,1130 2.22,1131 7.065,1132 22.978,1133 3.468,1134 13.904,1135 16.866,1136 9.557,1137 28.157,1138 13.639,1139 1.965,1140 6.35,1141 24.808,1142 3.138,1143 14.972,1144 18.115,1145 10.271,1146 30.463,1147 14.697,1148 1.49,1149 5.891,1150 26.645,1151 2.764,1152 16.088,1153 19.545,1154 11.125,1155 32.796,1156 15.806,1157 1.456,1158 3.585,1159 28.487,1160 2.329,1161 17.18,1162 20.844,1163 11.871,1164 35.118,1165 16.889,1166 7262,1167 11439,1168 18.087,1169 31.534,1170 40.882,1171 40.829,1172 40.761,1173 39.407,1174 39.361,1175 50.401,1176 9.208,1177 108.236,1178 38.204,1179 5.286,1180 5.782,1181 6.409,1182 5.169,1183 5.096,1184 6.981,1185 3.913,1186 17.024,1187 5.058,1188 11.023,1189 1.514,1190 1.512,1191 1.51,1192 1.46,1193 1.458,1194 1.867,1195 0.341,1196 4.009,1197 1.415,1198 4.036,1199 4.065,1200 3.975,1201 3.965,1202 7.433,1203 3.963,1204 3.916,1205 3.951,1206 3.841,1207 3.851,1208 5.432,1209 3.843,1210 3.62,1211 3.664,1212 3.546,1213 3.446,1214 4.816,1215 3.452,1216 3.536,1217 3.597,1218 3.438,1219 3.338,1220 4.746,1221 3.36,1222 3.373,1223 3.43,1224 3.245,1225 3.245,1226 4.327,1227 3.24,1228 3.042,1229 3.086,1230 2.932,1231 2.879,1232 4.112,1233 2.879,1234 2.974,1235 3.055,1236 2.827,1237 2.823,1238 3.967,1239 2.813,1240 2.917,1241 2.971,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.162,1247 0.14,1248 0.242,1249 0.151,1250 0.115,1251 4.382,1252 0.147,1253 3.782,1254 0.082,1255 6.547,1256 0.384,1257 4.083,1258 0.113,1259 3.096,1260 3.981,1261 2.209,1262 10.365,1263 3.058,1264 1.915,1265 1.887,1266 2.043,1267 2.018,1268 1.187,1269 2.024,1270 1.891,1271 1.87,1272 1.985,1273 1.972,1274 1.176,1275 1.978,1276 1.636,1277 1.575,1278 1.855,1279 1.823,1280 1.164,1281 1.838,1282 1.474,1283 1.415,1284 1.711,1285 1.739,1286 0.802,1287 1.73,1288 1.426,1289 1.373,1290 1.651,1291 1.575,1292 0.728,1293 1.606,1294 1.072,1295 1.036,1296 1.362,1297 1.287,1298 0.501,1299 1.282,1300 1.002,1301 0.922,1302 1.281,1303 1.222,1304 0.442,1305 1.268,1306 0.886,1307 0.821,1308 1.181,1309 1.123,1310 0.218,1311 1.108,1312 4.007,1314 5.293,1315 2.398,1316 6.77,1317 4.727,1318 8.333,1319 6.823,1320 9.944,1322 1.736,1328 3.076,1329 3.336,1330 5.545,1332 0.228,1333 1.566,1337 5.332,1339 2.607,1340 29.74,1341 66.72,1342 165.291,1343 214.801,1344 234.801,1345 240.311,1346 240.311,1347 40.416,1348 7.027,1349 41.57,1350 41.57,1351 17,1352 12.257,1353 3.907,1354 3.322,1355 41.9,1356 98,1357 102,1358 0.208,1359 185.264,1360 328.8,1361 443.804,1362 10512,1364 17.648,1365 0.706,1366 0.575,1367 17.648,1368 14.366,1369 12.169,1370 0.451,1371 0.312,1372 8.34,1373 11.81,1374 8.104,1375 6.76,1376 12.169,1377 8.437,1378 10.513,1379 0.292,1380 0.174,1381 10.513,1382 6.247,1383 8.705,1384 0.189,1385 0.096,1386 8.705,1387 4.425,1388 6.915,1389 0.119,1390 0.054,1391 6.915,1392 3.139,1393 5.561,1394 0.079,1395 0.029,1396 5.561,1397 2.041,1398 0.33,1399 75.522,1400 0.235,1401 24.614,1402 0.556,1403 126,1404 345.449,1405 136.555,1406 338.133,1407 458.92,1408 316,1409 145,1410 332.782,1411 155.31,1412 340.76,1413 492.23,1414 318,1415 5.75}
{0 CHEMBL553803,1 1.513,2 16.5,3 5.024,4 25.243,5 129.18,6 7.871,7 0.486,8 4.162,9 4.255,10 3.773,11 3.708,12 5.338,13 3.708,14 4.667,15 4.815,16 4.105,17 4.051,18 5.864,19 4.041,20 4.845,21 4.987,22 4.17,23 4.176,24 6.014,25 4.147,26 4.942,27 5.134,28 4.097,29 4.133,30 6.125,31 4.085,32 4.815,33 4.997,34 3.95,35 4.075,36 5.951,37 4.009,38 4.772,39 4.974,40 3.85,41 4.012,42 5.843,43 3.92,44 4.775,45 5.006,46 3.685,47 3.885,48 5.768,49 3.786,50 4.567,51 4.785,52 3.63,53 3.765,54 5.613,55 3.682,56 0.059,57 0.761,58 10.417,59 5.295,60 9.45,61 6.178,62 0.442,63 1.227,64 20.642,65 8.333,66 37.379,67 10.048,68 0.309,69 1.384,70 24.816,71 10.869,72 40.088,73 12.706,74 0.7,75 1.492,76 31.27,77 11.7,78 79.044,79 14.39,80 0.546,81 1.361,82 26.279,83 10.181,84 60.643,85 12.402,86 0.363,87 1.308,88 25.101,89 10.409,90 50.397,91 13.504,92 0.578,93 1.273,94 28.104,95 10.021,96 60.928,97 12.828,98 0.264,99 1.074,100 21.145,101 8.183,102 40.617,103 10.738,104 20,105 50,106 0.244,107 0.563,108 0.735,109 0.863,110 0.9,111 0.9,112 3.56,113 0.871,114 -3.87,115 -3.83,116 -3.64,121 46.6,126 2,127 3,143 2,144 11,145 3,146 4,159 1,161 1,176 11,179 1,180 13,183 2,187 12,192 12,200 7,205 2,206 11,211 2,214 9,218 2,219 4,224 2,227 12,231 1,232 4,237 1,239 9,243 1,244 7,247 1,251 4,256 6,264 3,268 1,269 4,274 1,277 6,281 2140,282 23.162,283 23.162,284 23.162,285 23.162,286 23.162,287 20.365,288 28.252,289 13.937,290 23.684,291 18.243,292 18.243,293 18.243,294 18.243,295 18.243,296 13.94,297 34.802,298 6.62,299 19.02,300 4.345,301 2.364,302 1.294,303 0.5,304 0.267,305 0.267,306 4.258,311 1,312 1,313 1214,314 4.243,318 400.596,322 302.06,325 2.412,326 34.704,329 1,330 0.83,331 1,332 0.6,333 0.5,334 1,335 1,336 0.85,337 74,338 561,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 2.186,346 11.061,347 3.18,348 4.106,349 3.66,350 6.011,351 3.723,352 2.761,353 3.688,354 1.419,355 8.529,356 2.661,357 4.051,358 3.082,359 5.681,360 3.613,361 2.642,362 3.676,363 1.102,364 7.996,365 2.563,366 3.854,367 3.014,368 5.407,369 3.38,370 2.451,371 2.975,372 0.86,373 6.913,374 2.261,375 3.661,376 2.871,377 5.29,378 3.232,379 2.271,380 2.892,381 0.461,382 6.815,383 2.172,384 3.605,385 2.743,386 5.124,387 3.119,388 2.164,389 2.719,390 0.366,391 6.041,392 2.048,393 3.334,394 2.585,395 4.862,396 2.95,397 2.012,398 2.504,400 5.593,401 1.864,402 3.299,403 2.361,404 4.584,405 2.777,406 1.803,407 2.455,409 4.813,410 1.746,411 3.003,412 2.157,413 4.125,414 2.508,415 1.544,416 2.081,418 3.384,419 1.48,420 2.903,421 1.682,422 3.729,423 2.423,424 1.432,425 1.999,427 3.264,428 1.415,429 2.714,430 1.619,431 3.672,432 2.243,433 1.257,434 1.81,436 3.064,437 1.236,438 2.652,439 1.372,440 3.495,441 2.181,442 1.189,443 1.714,445 2.613,446 1.177,447 2.436,448 1.298,449 3.483,450 1.904,451 0.9,452 1.304,454 2.102,455 0.895,456 2.014,457 1.257,458 3.132,459 1.685,460 0.726,461 0.862,463 1.631,464 0.689,465 1.507,466 1.101,467 2.911,468 1.299,469 0.383,470 0.409,472 0.559,473 0.346,474 15.967,475 0.47,476 0.729,477 0.021,478 46.25,479 1.36,480 24.5,481 0.721,482 21.75,483 0.64,484 25.411,485 0.747,486 35.633,487 0.614,488 37.481,489 1.102,490 9.74,491 0.286,492 6.789,493 0.2,494 0.104,496 0.307,501 0.783,502 1.237,503 0.725,504 1.08,505 0.598,506 0.921,507 0.92,508 0.855,509 0.842,510 0.858,511 0.597,512 0.82,513 1.16,514 1.176,515 0.993,516 1.173,517 0.908,518 1.079,519 1.147,520 0.943,521 0.968,522 0.918,523 1.189,524 0.911,525 1.161,526 0.943,527 1.149,528 0.97,529 1.306,530 1.041,531 0.716,532 1.166,533 1.011,534 1.188,535 0.689,536 1.167,537 1.145,538 0.833,539 1.087,540 0.877,541 0.89,542 0.957,543 0.841,544 1.129,545 0.96,546 1.08,547 0.781,548 1.047,549 6.5,550 0.111,551 2.889,552 2.375,553 1.853,554 0.868,555 0.563,556 0.392,557 0.205,558 0.192,559 20647,560 59928,561 2.077,562 41.4,564 23,567 1,572 1.75,573 1.962,574 3.968,575 -0.392,582 87.732,583 1.513,584 3.494,585 4.564,586 5.358,587 5.591,588 5.591,589 3.396,590 4.617,591 5.063,592 4.17,593 2339.19,594 8.821,595 39878.1,600 339.763,601 1.333,602 5.026,603 0.176,604 0.004,605 0.058,606 0.046,607 0.039,608 0.021,609 0.016,610 0.013,611 0.007,612 0.007,613 0.387,614 0.33,615 1,616 0.962,617 189.266,618 -0.035,619 -0.149,620 0.053,621 -0.084,622 -0.054,623 -0.013,624 0.068,625 0.229,626 0.06,627 0.101,628 0.086,629 0.093,630 -0.109,631 -0.197,632 -0.077,633 -0.175,634 -0.032,635 -0.131,636 0.007,637 0.017,638 0.048,639 0.064,640 0.011,641 0.064,642 -0.124,643 0.062,644 -0.183,645 0.004,646 -0.188,647 -0.084,648 0.062,649 -0.196,650 -0.057,651 -0.189,652 0.034,653 -0.155,654 -0.098,655 0.124,656 -0.037,657 0.099,658 -0.085,659 0.05,660 -0.031,661 -0.141,662 0.024,663 -0.098,664 0.034,665 -0.038,666 2.168,667 5.62,668 0.588,669 41.287,670 1.01,671 1.114,672 2.644,673 6.99,674 0.684,675 3.638,676 3.932,677 4.174,678 4.431,679 4.663,680 4.736,681 4.828,682 4.949,683 4.977,684 4.89,685 9.581,686 0.662,687 456.53,688 3.638,689 5.165,690 5.999,691 6.864,692 7.716,693 8.591,694 9.453,695 10.334,696 11.203,697 12.089,698 3.4,701 1,705 1,715 11,720 7,722 18,727 1,737 1,739 2,741 58,743 21,744 3,745 37,747 61,748 27,749 18,750 7,751 11,752 1,756 4,757 7,771 2,772 20,773 5,777 2,782 2,786 2,793 24,794 7,795 1,796 7,802 2,808 0.5,809 5,829 4,833 2,836 2,855 1,859 2,864 2,868 34,876 3,877 1,878 3,881 1,885 1,891 2,893 8.6,896 2,898 3,901 17.333,902 11.2,903 7.611,904 3.275,907 4.511,908 1.557,909 0.975,910 7.612,911 12.614,912 3.932,913 4.483,914 5.006,915 5.554,916 6.079,917 6.308,918 6.653,919 7.038,920 7.357,921 7.575,922 0.909,923 52,924 12.541,926 5.239,927 0.026,929 7.838,931 23.577,933 18.626,936 2.338,937 79.5,940 1,941 270.735,942 206.323,943 21.135,945 83.29,948 206.323,949 354.025,950 21.135,951 16.793,952 26.815,953 104.239,954 55.423,955 66.654,956 40.824,957 270.735,959 270.735,960 227.458,961 83.29,964 270.735,965 83.29,968 29.939,969 163.458,970 34.061,972 270.735,973 104.425,974 206.323,977 270.735,978 51.23,979 124.156,980 52.072,981 83.29,982 270.735,983 104.425,984 206.323,986 0.571,987 0.327,988 0.176,989 0.097,990 22,991 10,992 0.115,993 7,994 2,995 1.2,996 4.686,997 295.518,998 0.2,999 20,1000 172.974,1005 23.532,1006 10.998,1007 6.047,1009 104.425,1010 19.716,1015 4.188,1017 18.011,1018 581.483,1019 50,1024 23.979,1028 -0.56,1031 58.56,1032 64.611,1034 0.258,1035 0.596,1036 0.779,1037 0.915,1038 0.954,1039 0.954,1040 5.162,1041 1.803,1042 5.964,1043 5.593,1044 4.615,1045 5.17,1046 2.875,1047 6.737,1048 4.539,1049 6.363,1050 1.544,1051 7.495,1052 4.813,1053 4.111,1054 4.832,1055 1.847,1056 7.551,1057 4.007,1058 7.66,1059 1.432,1060 9.126,1061 3.384,1062 6.168,1063 7.296,1064 3.793,1065 10.662,1066 6.028,1067 8.987,1068 1.257,1069 10.817,1070 3.264,1071 6.479,1072 7.753,1073 3.613,1074 12.333,1075 6.327,1076 10.343,1077 1.189,1078 12.549,1079 3.064,1080 7.99,1081 9.687,1082 5.041,1083 14.973,1084 7.813,1085 11.719,1086 0.9,1087 14.311,1088 2.613,1089 8.71,1090 10.561,1091 5.296,1092 17.035,1093 8.533,1094 13.113,1095 0.726,1096 16.095,1097 2.102,1098 9.992,1099 12.243,1100 6.446,1101 19.515,1102 9.797,1103 3.215,1104 0.383,1105 17.898,1106 1.631,1107 10.925,1108 13.351,1109 6.932,1110 21.76,1111 10.733,1112 2.761,1113 11.061,1114 19.717,1115 0.559,1116 12.112,1117 14.903,1118 7.927,1119 24.185,1120 11.911,1121 2.642,1122 8.529,1123 21.549,1124 4.198,1125 13.154,1126 16.145,1127 8.54,1128 26.514,1129 12.954,1130 2.451,1131 7.996,1132 23.392,1133 3.688,1134 14.309,1135 17.629,1136 9.447,1137 28.922,1138 14.102,1139 2.271,1140 6.913,1141 25.245,1142 3.676,1143 15.406,1144 18.947,1145 10.13,1146 31.289,1147 15.199,1148 2.164,1149 6.815,1150 27.107,1151 2.975,1152 16.553,1153 20.396,1154 10.986,1155 33.692,1156 16.34,1157 2.012,1158 6.041,1159 28.975,1160 2.892,1161 17.679,1162 21.758,1163 11.71,1164 36.077,1165 17.463,1166 19551,1167 33463,1168 24.849,1169 39.659,1170 54.966,1171 57.516,1172 55.797,1173 53.591,1174 53.566,1175 70.649,1176 12.787,1177 148.92,1178 51.531,1179 5.425,1180 5.692,1181 6.544,1182 5.301,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.18,1188 16.436,1189 1.486,1190 1.554,1191 1.508,1192 1.448,1193 1.448,1194 1.909,1195 0.346,1196 4.025,1197 1.393,1198 4.047,1199 4.054,1200 4.014,1201 3.965,1202 7.435,1203 3.974,1204 3.937,1205 3.964,1206 3.877,1207 3.856,1208 7.427,1209 3.856,1210 3.778,1211 3.801,1212 3.717,1213 3.712,1214 4.964,1215 3.709,1216 3.654,1217 3.706,1218 3.568,1219 3.526,1220 4.819,1221 3.529,1222 3.528,1223 3.588,1224 3.445,1225 3.23,1226 4.79,1227 3.27,1228 3.384,1229 3.438,1230 3.27,1231 3.173,1232 4.616,1233 3.188,1234 3.194,1235 3.206,1236 3.13,1237 3.052,1238 4.321,1239 3.068,1240 3.033,1241 3.086,1242 2.907,1243 2.822,1244 4.281,1245 2.825,1246 0.123,1247 0.1,1248 0.183,1249 0.114,1250 0.087,1251 4.553,1252 0.113,1253 3.692,1254 0.059,1255 6.774,1256 0.299,1257 4.203,1258 0.086,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.057,1267 2.083,1268 1.185,1269 2.072,1270 1.91,1271 1.885,1272 2.027,1273 2.019,1274 1.164,1275 2.022,1276 1.773,1277 1.751,1278 1.889,1279 1.869,1280 0.981,1281 1.875,1282 1.623,1283 1.578,1284 1.805,1285 1.806,1286 0.917,1287 1.806,1288 1.406,1289 1.341,1290 1.69,1291 1.723,1292 0.686,1293 1.713,1294 1.345,1295 1.277,1296 1.595,1297 1.563,1298 0.678,1299 1.572,1300 1.131,1301 1.116,1302 1.36,1303 1.31,1304 0.504,1305 1.298,1306 1.006,1307 0.934,1308 1.295,1309 1.264,1310 0.47,1311 1.279,1312 4.317,1314 5.617,1316 7.112,1318 8.707,1320 10.359,1322 3.471,1328 1.41,1329 2.423,1330 16.744,1333 2.043,1339 6.085,1340 38.412,1341 87.732,1342 202.636,1343 264.69,1344 310.743,1345 324.253,1346 324.253,1347 62.255,1348 8.102,1349 81.01,1350 81.01,1351 24,1352 12.625,1353 4.459,1354 3.807,1355 57.623,1356 203,1357 182,1358 0.136,1359 235.704,1360 425.15,1361 566.877,1362 47569,1364 23.916,1365 0.703,1366 0.558,1367 23.916,1368 18.961,1369 16.529,1370 0.447,1371 0.29,1372 10.566,1373 15.825,1374 10.26,1375 8.567,1376 16.529,1377 10.745,1378 14.533,1379 0.291,1380 0.154,1381 14.533,1382 7.687,1383 11.943,1384 0.187,1385 0.08,1386 11.943,1387 5.1,1388 9.893,1389 0.119,1390 0.042,1391 9.893,1392 3.466,1393 7.935,1394 0.076,1395 0.022,1396 7.935,1397 2.319,1398 0.226,1399 104.126,1400 0.201,1401 32.631,1402 0.338,1403 174,1404 574.656,1405 193.743,1406 544.261,1407 736.55,1408 510,1409 201,1410 533.442,1411 220.112,1412 538.15,1413 784.47,1414 503,1415 6.678}
{0 CHEMBL553914,1 1.423,2 20.745,3 9.56,4 91.392,5 190.523,6 7.192,7 0.528,8 4.578,9 4.698,10 4.126,11 4.185,12 5.553,13 4.135,14 5.159,15 5.333,16 4.493,17 4.611,18 6.088,19 4.53,20 5.475,21 5.707,22 4.595,23 4.763,24 6.345,25 4.657,26 5.476,27 5.706,28 4.566,29 4.744,30 6.374,31 4.638,32 5.469,33 5.694,34 4.545,35 4.777,36 6.336,37 4.659,38 5.549,39 5.785,40 4.496,41 4.797,42 6.394,43 4.651,44 5.556,45 5.817,46 4.347,47 4.736,48 6.336,49 4.552,50 5.461,51 5.742,52 4.179,53 4.581,54 6.249,55 4.378,56 0.069,57 1.238,58 19.295,59 8.741,60 9.135,61 11.838,62 0.245,63 2.117,64 37.386,65 15.558,66 27.433,67 21.387,68 0.422,69 2.774,70 56.611,71 20.903,72 52.073,73 29.169,74 0.618,75 2.806,76 56.331,77 19.945,78 64.446,79 27.955,80 0.391,81 2.789,82 53.688,83 20.816,84 49.986,85 29.068,86 0.525,87 2.905,88 60.341,89 23.079,90 62.245,91 31.94,92 0.503,93 2.827,94 64.634,95 24.336,96 59.985,97 33.745,98 0.671,99 2.499,100 62.662,101 22.478,102 73.041,103 31.5,104 5,105 73,106 0.209,107 0.512,108 0.701,109 0.85,110 0.877,111 0.887,112 3.874,113 1.006,114 -6.52,115 -6.35,116 -5.89,121 44.4,123 12,127 3,144 11,145 6,146 3,148 4,160 1,176 23,180 12,183 1,185 5,187 28,192 11,197 5,200 21,205 1,206 12,209 1,211 7,214 23,219 9,224 5,227 28,232 8,237 3,239 34,244 3,248 1,251 30,255 2,256 2,259 2,261 1,264 23,269 2,272 1,274 4,277 16,281 5195,282 32.758,283 32.758,284 32.758,285 32.758,286 32.758,287 29.343,288 29.469,289 19.875,290 33.214,291 26.283,292 26.283,293 26.283,294 26.283,295 26.283,296 20.869,297 27.302,298 9.569,299 27.063,300 5.069,301 3.015,302 1.726,303 0.719,304 0.533,305 0.467,306 4.6,308 1,313 2201,314 4.416,318 894.866,322 848.811,325 3.028,326 34.456,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.49,337 98.333,338 975,339 4.685,340 3.579,341 6.906,342 4.253,343 3.278,344 4.608,345 1.907,346 11.633,347 3.194,348 4.651,349 3.428,350 6.833,351 4.214,352 3.235,353 4.582,354 0.86,355 11.364,356 3.165,357 4.154,358 3.373,359 6.25,360 3.756,361 2.762,362 3.778,363 0.4,364 9.302,365 2.746,366 3.99,367 2.943,368 6.004,369 3.58,370 2.61,371 3.534,372 0.149,373 8.477,374 2.532,375 3.805,376 2.831,377 5.675,378 3.47,379 2.48,380 3.27,382 7.525,383 2.455,384 3.669,385 2.659,386 5.427,387 3.343,388 2.354,389 2.961,391 6.886,392 2.319,393 3.584,394 2.562,395 5.284,396 3.192,397 2.252,398 2.956,400 6.711,401 2.104,402 3.5,403 2.356,404 4.985,405 3.113,406 2.127,407 2.787,409 5.946,410 2.092,411 3.365,412 2.272,413 4.899,414 2.889,415 1.985,416 2.699,418 5.573,419 1.825,420 3.328,421 2.07,422 4.888,423 2.856,424 1.887,425 2.677,427 5.291,428 1.819,429 2.867,430 1.92,431 4.121,432 2.818,433 1.827,434 1.954,436 3.764,437 1.703,438 2.827,439 1.718,440 4.021,441 2.488,442 1.507,443 1.877,445 3.425,446 1.477,447 2.672,448 1.683,449 3.976,450 2.467,451 1.49,452 1.717,454 3.404,455 1.448,456 2.566,457 1.526,458 3.807,459 2.405,460 1.414,461 1.581,463 3.235,464 1.397,465 2.5,466 1.473,467 3.793,468 2.28,469 1.314,470 1.5,472 2.976,473 1.263,474 22.981,475 0.489,476 0.88,477 0.019,478 58,479 1.234,480 28.5,481 0.606,482 29.5,483 0.628,484 51.498,485 1.096,486 49.619,487 0.551,488 44.618,489 0.949,490 10.332,491 0.22,492 12.804,493 0.272,494 0.046,496 0.305,501 0.736,502 1.165,503 0.74,504 0.992,505 0.577,506 0.942,507 0.826,508 1.182,509 0.829,510 1.041,511 0.603,512 1.017,513 1.053,514 1.035,515 0.869,516 0.914,517 0.967,518 0.892,519 1.206,520 0.981,521 0.924,522 0.912,523 1.136,524 0.939,525 0.996,526 1.051,527 0.889,528 1.004,529 0.918,530 1.023,531 1.116,532 1.038,533 0.981,534 1.059,535 1.134,536 1.097,537 0.982,538 1.007,539 1.082,540 1.088,541 1.048,542 1.106,543 0.751,544 0.914,545 1.12,546 1.037,547 0.937,548 1.026,549 6.5,550 0.19,551 4.444,552 2.688,553 2.933,554 1.299,555 0.844,556 0.592,557 0.385,558 0.218,559 55917,560 123795,561 2.191,562 47.8,563 14,564 17,567 2,568 4,569 6,572 1.828,573 2.12,574 4.213,575 0.01,582 128.06,583 1.423,584 3.477,585 4.766,586 5.772,587 5.959,588 6.025,589 3.644,590 5.427,591 5.535,592 4.504,593 4869,594 9.754,595 108542,600 584.267,601 1.11,602 5.515,603 0.123,604 0.005,605 0.061,606 0.034,607 0.039,608 0.018,609 0.013,610 0.011,611 0.009,612 0.005,613 0.317,614 0.17,615 0.5,616 0.312,617 288.881,618 -0.008,619 -0.024,620 0.044,621 0.021,622 0.022,623 0.043,624 0.036,625 -0.102,626 0.01,627 -0.048,628 0.079,629 -0.036,630 -0.033,631 -0.01,632 0.066,633 0.06,634 -0.012,635 0.083,636 -0.037,637 0.079,638 -0.015,639 0.035,640 -0.054,641 0.012,642 -0.075,643 -0.009,644 -0.042,645 -0.037,646 -0.026,647 -0.05,648 -0.089,649 -0.041,650 -0.092,651 -0.082,652 -0.087,653 -0.117,654 -0.05,655 -0.063,656 -0.085,657 -0.09,658 -0.074,659 -0.103,660 0.172,661 -0.001,662 -0.015,663 -0.028,664 0.105,665 -0.012,666 1.558,667 5.68,668 0.723,669 68.733,670 0.99,671 1.118,672 5.294,673 28.027,674 0.678,675 3.989,676 4.304,677 4.615,678 4.934,679 5.257,680 5.375,681 5.553,682 5.714,683 5.817,684 5.771,685 12.286,686 0.632,687 647.32,688 3.989,689 5.533,690 6.395,691 7.28,692 8.165,693 9.063,694 9.96,695 10.864,696 11.768,697 12.677,698 4.4,703 1,705 1,708 2,714 4,715 11,716 2,720 9,722 28,734 1,739 1,740 1,741 90,743 29,744 3,745 53,747 96,748 40,749 24,750 7,751 11,756 7,757 13,758 1,767 6,770 12,772 25,773 15,777 1,782 1,786 1,793 43,794 6,795 2,796 7,797 1,802 4,808 0.429,809 2,822 2,829 7,833 4,843 1,859 3,865 1,868 47,876 15,877 2,878 1,892 1,893 2.2,896 1,898 1,901 22.167,902 16.043,903 10.333,904 6.215,907 5.272,908 1.546,909 1.024,910 10.217,911 14.931,912 4.234,913 4.848,914 5.484,915 6.135,916 6.795,917 7.186,918 7.645,919 8.089,920 8.469,921 8.58,922 1,923 79,924 17.495,926 7.515,927 0.026,929 7.488,931 34.695,933 29.7,936 1.988,937 93.444,941 482.615,942 187.352,943 69.593,944 39.149,945 36.145,948 187.352,949 557.909,950 69.593,952 57.229,953 104.239,954 81.431,955 50.191,957 482.615,958 39.149,959 482.615,960 256.945,961 36.145,962 39.149,964 411.989,965 106.771,968 67.031,969 138.332,970 90.73,972 482.615,973 105.737,974 226.501,977 482.615,978 83.114,979 104.239,980 36.022,981 108.865,982 482.615,983 105.737,984 226.501,986 0.572,987 0.334,988 0.193,989 0.116,990 35,991 14,992 0.125,993 12,994 4,995 1.235,996 5.817,997 488.469,998 0.235,999 34,1000 257.066,1005 31.913,1006 15.048,1007 7.423,1008 4.141,1009 105.737,1010 22.745,1011 9.982,1015 10.023,1017 36.022,1018 814.854,1019 68,1024 12.68,1028 0.108,1031 89.058,1032 100.66,1034 0.219,1035 0.536,1036 0.734,1037 0.889,1038 0.918,1039 0.928,1040 5.472,1041 2.127,1042 6.358,1043 6.711,1044 4.99,1045 5.537,1046 2.18,1047 7.175,1048 4.935,1049 6.665,1050 1.985,1051 7.909,1052 5.946,1053 4.443,1054 5.373,1055 1.593,1056 8.089,1057 4.353,1058 7.974,1059 1.887,1060 9.567,1061 5.573,1062 6.572,1063 7.793,1064 2.965,1065 11.257,1066 6.474,1067 9.324,1068 1.827,1069 11.293,1070 5.291,1071 6.909,1072 8.514,1073 3.032,1074 13.066,1075 6.783,1076 10.713,1077 1.507,1078 13.066,1079 3.764,1080 8.457,1081 10.394,1082 4.052,1083 15.746,1084 8.318,1085 12.13,1086 1.49,1087 14.87,1088 3.425,1089 9.229,1090 11.531,1091 4.409,1092 17.921,1093 9.065,1094 13.569,1095 1.414,1096 16.698,1097 3.404,1098 10.538,1099 13.196,1100 5.254,1101 20.441,1102 10.358,1103 3.278,1104 1.314,1105 18.543,1106 3.235,1107 11.526,1108 14.537,1109 5.75,1110 22.767,1111 11.319,1112 3.235,1113 11.633,1114 20.402,1115 2.976,1116 12.741,1117 16.113,1118 6.502,1119 25.233,1120 12.515,1121 2.762,1122 11.364,1123 22.272,1124 4.608,1125 13.83,1126 17.55,1127 7.068,1128 27.624,1129 13.577,1130 2.61,1131 9.302,1132 24.151,1133 4.582,1134 15.012,1135 19.091,1136 7.771,1137 30.072,1138 14.737,1139 2.48,1140 8.477,1141 26.037,1142 3.778,1143 16.147,1144 20.573,1145 8.374,1146 32.49,1147 15.846,1148 2.354,1149 7.525,1150 27.929,1151 3.534,1152 17.321,1153 22.101,1154 9.051,1155 34.933,1156 16.996,1157 2.252,1158 6.886,1159 29.826,1160 3.27,1161 18.478,1162 23.605,1163 9.674,1164 37.365,1165 18.127,1166 50202,1167 74929,1168 36.868,1169 61.018,1170 78.438,1171 80.375,1172 79.798,1173 78.662,1174 78.462,1175 101.097,1176 6.632,1177 222.464,1178 76.108,1179 5.654,1180 5.579,1181 6.795,1182 5.337,1183 5.278,1184 7.608,1185 3.306,1186 19.252,1187 5.194,1188 14.256,1189 1.48,1190 1.517,1191 1.506,1192 1.484,1193 1.48,1194 1.907,1195 0.125,1196 4.197,1197 1.436,1198 4.15,1199 4.175,1200 4.138,1201 4.08,1202 7.429,1203 4.084,1204 4.095,1205 4.12,1206 4.085,1207 4.029,1208 5.049,1209 4.033,1210 3.865,1211 3.895,1212 3.796,1213 3.814,1214 5.006,1215 3.806,1216 3.784,1217 3.845,1218 3.778,1219 3.664,1220 4.721,1221 3.65,1222 3.736,1223 3.78,1224 3.659,1225 3.635,1226 4.685,1227 3.626,1228 3.705,1229 3.752,1230 3.578,1231 3.59,1232 4.524,1233 3.581,1234 3.604,1235 3.664,1236 3.486,1237 3.428,1238 4.288,1239 3.432,1240 3.452,1241 3.524,1242 3.4,1243 3.294,1244 4.258,1245 3.284,1246 0.088,1247 0.068,1248 0.13,1249 0.08,1250 0.062,1251 4.685,1252 0.087,1253 3.579,1254 0.036,1255 6.906,1256 0.219,1257 4.253,1258 0.06,1259 3.278,1260 4.608,1261 1.907,1262 11.633,1263 3.194,1264 2.081,1265 2.063,1266 2.151,1267 2.164,1268 1.437,1269 2.161,1270 2.07,1271 2.047,1272 2.149,1273 2.158,1274 1.373,1275 2.159,1276 1.877,1277 1.85,1278 2.018,1279 1.965,1280 1.363,1281 1.982,1282 1.77,1283 1.712,1284 1.998,1285 1.937,1286 1.219,1287 1.961,1288 1.75,1289 1.706,1290 1.925,1291 1.865,1292 1.153,1293 1.892,1294 1.703,1295 1.66,1296 1.908,1297 1.859,1298 1.079,1299 1.877,1300 1.569,1301 1.512,1302 1.798,1303 1.78,1304 1.061,1305 1.789,1306 1.451,1307 1.382,1308 1.708,1309 1.648,1310 0.961,1311 1.672,1312 4.673,1314 5.989,1316 7.515,1318 9.148,1320 10.846,1323 6.275,1328 14.393,1329 6.882,1330 6.215,1340 56.879,1341 128.06,1342 312.937,1343 428.936,1344 519.512,1345 536.267,1346 542.267,1347 80.322,1348 9.659,1349 76.14,1350 76.14,1351 42,1352 13.194,1353 4.907,1354 4,1355 67.331,1356 363,1357 270,1358 0.087,1359 345.229,1360 599.37,1361 834.12,1362 360136,1363 1.1,1364 32.003,1365 0.681,1366 0.592,1367 32.503,1368 27.802,1369 23.136,1370 0.437,1371 0.335,1372 17.304,1373 22.367,1374 16.945,1375 13.959,1376 23.425,1377 17.77,1378 20.344,1379 0.279,1380 0.183,1381 20.752,1382 13.346,1383 17.49,1384 0.175,1385 0.098,1386 17.753,1387 9.791,1388 15.147,1389 0.11,1390 0.053,1391 15.382,1392 7.289,1393 13.43,1394 0.07,1395 0.029,1396 13.662,1397 5.557,1398 0.146,1399 145.203,1400 0.165,1401 42.366,1402 0.213,1403 252,1404 599.63,1405 280.826,1406 620.006,1407 863.83,1408 586,1409 299,1410 628.968,1411 322.733,1412 648.809,1413 960.54,1414 618,1415 7.955}
{0 CHEMBL554056,1 1.372,2 10.72,3 5.296,4 28.049,5 99.831,6 6.425,7 0.222,8 4.031,9 4.163,10 3.472,11 3.556,12 4.993,13 3.504,14 4.633,15 4.833,16 3.812,17 3.968,18 5.542,19 3.876,20 4.944,21 5.198,22 3.866,23 4.116,24 5.735,25 3.994,26 4.978,27 5.223,28 3.852,29 4.093,30 5.886,31 3.976,32 4.977,33 5.226,34 3.775,35 4.018,36 5.949,37 3.904,38 4.817,39 5.059,40 3.64,41 3.94,42 5.763,43 3.816,44 4.718,45 4.966,46 3.546,47 3.88,48 5.66,49 3.734,50 4.645,51 4.909,52 3.408,53 3.807,54 5.491,55 3.649,56 0.049,57 0.737,58 12.636,59 5.23,60 8.471,61 7.345,62 0.357,63 1.231,64 23.765,65 8.761,66 27.999,67 12.798,68 0.259,69 1.541,70 32.385,71 11.423,72 28.819,73 16.888,74 0.334,75 1.518,76 33.996,77 11.6,78 43.354,79 16.737,80 0.516,81 1.414,82 34.621,83 11.229,84 59.755,85 15.824,86 0.356,87 1.248,88 29.034,89 10.197,90 46.18,91 14.273,92 0.311,93 1.181,94 25.903,95 9.667,96 42.041,97 13.719,98 0.219,99 1.109,100 23.863,101 8.805,102 37.257,103 12.828,104 16,105 36,106 0.231,107 0.549,108 0.758,109 0.838,110 0.855,111 0.855,112 3.267,113 1.056,114 -4.54,115 -4.46,116 -4.2,121 39.6,122 1,123 7,127 2,129 2,142 1,143 1,144 3,145 2,146 1,161 1,176 11,179 3,180 5,185 3,187 12,192 4,197 4,200 8,206 12,211 1,214 5,219 10,222 1,224 1,227 7,232 4,239 11,244 5,247 2,251 12,256 1,264 10,269 2,274 3,277 10,281 905,282 17.292,283 17.292,284 17.292,285 17.292,286 17.292,287 16.255,288 23.258,289 10.507,290 17.606,291 13.246,292 13.246,293 13.246,294 13.246,295 13.246,296 11.514,297 30.333,298 4.847,299 13.713,300 4.356,301 2.473,302 1.232,303 0.76,304 0.656,305 0.656,306 3.95,311 1,312 1,313 566,314 3.674,317 61.966,318 156.51,321 108.362,325 1.594,326 20.66,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 53,338 268,339 4.383,340 3.815,341 6.549,342 4.085,343 3.1,344 3.981,345 2.208,346 10.369,347 3.058,348 4.083,349 3.359,350 6.444,351 3.912,352 2.971,353 3.245,354 0.911,355 9.903,356 2.784,357 3.632,358 2.798,359 5.409,360 3.351,361 2.408,362 2.868,363 0.655,364 7.097,365 2.262,366 3.497,367 2.591,368 5.124,369 3.054,370 2.074,371 2.351,372 0.44,373 5.985,374 2.022,375 3.243,376 2.46,377 4.934,378 2.911,379 1.937,380 2.26,381 0.13,382 5.469,383 1.88,384 3.128,385 2.129,386 4.167,387 2.442,388 1.458,389 2.006,391 3.571,392 1.43,393 2.589,394 1.817,395 3.895,396 2.427,397 1.441,398 1.559,400 3.206,401 1.412,402 2.563,403 1.375,404 3.459,405 2.195,406 1.202,407 1.51,409 2.582,410 1.192,411 2.076,412 1.203,413 3.419,414 2,415 1.016,416 1.055,418 2.184,419 1,420 2.015,421 1,422 3.247,423 1.989,424 1,425 1,427 2.136,428 0.981,429 2,430 0.996,431 3.198,432 1.727,433 0.74,434 0.884,436 1.619,437 0.729,438 1.699,439 0.679,440 2.742,441 1.173,442 0.214,443 0.281,445 0.368,446 0.204,447 1.144,448 0.426,449 2.437,450 0.936,451 -0.02,452 -0.022,454 -0.034,455 -0.019,456 1,457 0.17,458 2.368,459 0.715,460 -0.276,461 -0.345,463 -0.602,464 -0.27,465 0.616,466 -0.308,467 2.217,468 0.205,469 -0.773,470 -0.878,472 -1.673,473 -0.747,474 11.967,475 0.479,476 0.448,477 0.018,478 25.5,479 1.02,480 10,481 0.4,482 15.5,483 0.62,484 25.35,485 1.014,486 28.233,487 0.533,488 17.206,489 0.688,490 4.444,491 0.178,492 7.78,493 0.311,494 0.111,496 0.284,501 0.79,502 1.387,503 0.933,504 1.215,505 0.599,506 1.105,507 0.631,508 1.179,509 0.989,510 1.105,511 0.427,512 1.082,513 0.962,514 1.078,515 0.942,516 1.013,517 0.637,518 0.972,519 1.439,520 1.082,521 1.06,522 1.059,523 1.23,524 1.02,525 2.011,526 0.866,527 1.113,528 0.871,529 2.011,530 0.899,531 1.769,532 0.904,533 1.103,534 0.911,535 1.685,536 0.942,537 1.087,538 1,539 1.049,540 1.046,541 1.31,542 1.054,543 0.992,544 0.966,545 1.031,546 0.976,547 1.261,548 1.003,549 4,550 0.052,551 2.667,552 1.792,553 1.084,554 0.688,555 0.526,556 0.306,557 0.271,558 0.155,559 7018,560 14260,561 2.062,562 52.8,563 8,564 9,565 1,567 1,569 9,572 1.681,573 1.948,574 3.389,575 -0.396,582 72.735,583 1.372,584 3.255,585 4.496,586 4.968,587 5.072,588 5.072,589 2.889,590 4.484,591 4.614,592 3.521,593 1056.21,594 7.984,595 12894.3,600 303.58,601 1.323,602 4.583,603 0.148,604 0.003,605 0.074,606 0.048,607 0.031,608 0.021,609 0.018,610 0.012,611 0.012,612 0.008,613 0.376,614 0.33,615 1,616 1.216,617 121.029,618 0.008,619 -0.136,620 0.058,621 -0.051,622 0.023,624 0.307,625 -0.032,626 0.009,627 -0.056,628 0.172,629 -0.057,630 -0.012,631 -0.048,632 0.046,633 -0.03,634 0.032,635 0.011,636 -0.083,637 -0.086,638 -0.035,639 -0.089,640 -0.019,641 -0.058,642 -0.157,643 0.067,644 -0.043,645 0.065,646 -0.172,647 0.028,648 -0.201,649 0.047,650 -0.066,651 0.069,652 -0.183,653 0.021,654 0.024,655 -0.017,656 -0.057,657 -0.044,658 -0.063,659 -0.063,660 -0.094,661 0.024,662 -0.059,663 0.014,664 -0.086,665 -0.014,666 1.888,667 5.658,668 0.6,669 21.728,670 0.988,671 1.129,672 3.31,673 10.954,674 0.638,675 3.332,676 3.611,677 3.892,678 4.143,679 4.29,680 4.317,681 4.431,682 4.522,683 4.466,684 4.522,685 6.205,686 0.591,687 340.51,688 3.332,689 4.844,690 5.687,691 6.553,692 7.415,693 8.29,694 9.16,695 10.038,696 10.912,697 11.793,698 3.8,700 1,705 1,715 3,720 3,722 6,737 1,741 53,743 8,744 1,745 27,747 55,748 21,749 6,750 3,751 3,756 3,757 4,763 1,767 9,770 9,771 2,772 7,773 12,777 1,782 1,786 1,793 28,794 4,795 1,796 4,802 2,808 0.667,809 2,828 1,829 2,832 1,836 1,837 1,853 1,859 2,864 1,868 25,876 9,877 1,878 1,880 2,881 1,885 1,886 1,891 1,893 3.8,896 1,898 1,901 12.833,902 9.533,903 5.778,904 3.724,907 1.401,908 1.199,909 0.944,910 6.258,911 8.428,912 3.526,913 3.942,914 4.385,915 4.847,916 5.265,917 5.441,918 5.737,919 5.994,920 5.956,921 6.121,922 1,923 37,924 9.317,926 3.889,927 0.026,929 7.593,931 18.392,933 15.381,936 2.093,937 52.333,941 317.82,942 117.936,943 21.135,945 36.145,948 117.936,949 353.965,950 21.135,951 8.825,952 25.077,953 46.439,954 25.145,955 22.614,956 58.885,957 306.049,959 317.82,960 139.071,961 36.145,964 211.88,965 142.085,968 51.913,969 70.127,970 17.031,972 317.82,973 57.28,974 117.936,977 317.82,978 40.33,979 40.378,980 35.041,981 59.466,982 317.82,983 57.28,984 117.936,986 0.56,987 0.337,988 0.191,989 0.099,990 16,991 7,992 0.109,993 6,994 1,995 1.133,996 3.719,997 199.799,998 0.133,999 15,1000 112.096,1005 18.138,1006 8.626,1007 4.303,1009 57.28,1010 5.991,1015 3.155,1017 18.011,1018 493.036,1019 33,1024 12.658,1028 -0.222,1031 52.345,1032 59.813,1034 0.24,1035 0.568,1036 0.785,1037 0.867,1038 0.886,1039 0.886,1040 4.775,1041 1.202,1042 5.645,1043 3.206,1044 4.29,1045 4.625,1046 2.503,1047 6.441,1048 4.224,1049 5.92,1050 1.016,1051 7.191,1052 2.582,1053 3.761,1054 4.27,1055 1.847,1056 7.334,1057 3.642,1058 7.194,1059 1,1060 8.842,1061 2.184,1062 5.855,1063 6.591,1064 3.569,1065 10.443,1066 5.712,1067 8.499,1068 0.74,1069 10.558,1070 2.136,1071 6.217,1072 7.116,1073 3.656,1074 12.201,1075 6.024,1076 9.84,1077 0.214,1078 12.317,1079 1.619,1080 7.727,1081 8.905,1082 4.964,1083 14.802,1084 7.516,1085 11.204,1086 -0.02,1087 14.104,1088 0.368,1089 8.5,1090 9.84,1091 5.37,1092 16.895,1093 8.249,1094 12.586,1095 -0.276,1096 15.911,1097 -0.034,1098 9.773,1099 11.416,1100 6.459,1101 19.322,1102 9.504,1103 3.1,1104 -0.773,1105 17.732,1106 -0.602,1107 10.736,1108 12.555,1109 7.028,1110 21.551,1111 10.435,1112 2.971,1113 10.369,1114 19.565,1115 -1.673,1116 11.912,1117 14.035,1118 7.994,1119 23.914,1120 11.594,1121 2.408,1122 9.903,1123 21.406,1124 3.981,1125 12.959,1126 15.28,1127 8.654,1128 26.198,1129 12.616,1130 2.074,1131 7.097,1132 23.254,1133 3.245,1134 14.097,1135 16.713,1136 9.549,1137 28.536,1138 13.737,1139 1.937,1140 5.985,1141 25.106,1142 2.868,1143 15.182,1144 18.016,1145 10.263,1146 30.843,1147 14.801,1148 1.458,1149 5.469,1150 26.962,1151 2.351,1152 16.306,1153 19.425,1154 11.116,1155 33.172,1156 15.908,1157 1.441,1158 3.571,1159 28.822,1160 2.26,1161 17.409,1162 20.761,1163 11.862,1164 35.489,1165 16.993,1166 6892,1167 9950,1168 18.087,1169 33.819,1170 40.481,1171 40.667,1172 41.172,1173 39.154,1174 39.12,1175 45.999,1176 8.689,1177 108.976,1178 37.911,1179 5.383,1180 5.815,1181 6.41,1182 5.175,1183 5.1,1184 6.981,1185 3.912,1186 17.108,1187 5.058,1188 11.089,1189 1.499,1190 1.506,1191 1.525,1192 1.45,1193 1.449,1194 1.704,1195 0.322,1196 4.036,1197 1.404,1198 4.037,1199 4.067,1200 3.975,1201 3.964,1202 7.433,1203 3.963,1204 3.891,1205 3.948,1206 3.772,1207 3.762,1208 5.432,1209 3.753,1210 3.607,1211 3.659,1212 3.509,1213 3.445,1214 4.811,1215 3.45,1216 3.542,1217 3.61,1218 3.42,1219 3.362,1220 4.351,1221 3.367,1222 3.393,1223 3.445,1224 3.256,1225 3.274,1226 4.27,1227 3.261,1228 3.178,1229 3.241,1230 3.018,1231 2.957,1232 4.055,1233 2.956,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.984,1239 2.91,1240 3.026,1241 3.086,1242 2.857,1243 2.87,1244 3.654,1245 2.86,1246 0.162,1247 0.141,1248 0.243,1249 0.151,1250 0.115,1251 4.383,1252 0.147,1253 3.815,1254 0.082,1255 6.549,1256 0.384,1257 4.085,1258 0.113,1259 3.1,1260 3.981,1261 2.208,1262 10.369,1263 3.058,1264 1.9,1265 1.878,1266 2.098,1267 2.048,1268 1.486,1269 2.064,1270 1.872,1271 1.82,1272 1.985,1273 1.973,1274 1.187,1275 1.978,1276 1.636,1277 1.575,1278 1.855,1279 1.823,1280 1.174,1281 1.838,1282 1.533,1283 1.46,1284 1.823,1285 1.764,1286 1.026,1287 1.785,1288 1.43,1289 1.379,1290 1.652,1291 1.58,1292 0.825,1293 1.609,1294 1.165,1295 1.113,1296 1.513,1297 1.43,1298 0.771,1299 1.434,1300 1.153,1301 1.064,1302 1.468,1303 1.376,1304 0.728,1305 1.429,1306 1.066,1307 1.009,1308 1.284,1309 1.276,1310 0.443,1311 1.281,1312 4.007,1314 5.293,1315 2.398,1316 6.783,1317 4.727,1318 8.367,1319 6.823,1320 10,1322 2.026,1328 9.189,1329 3.367,1330 5.718,1332 0.58,1333 1.889,1337 5.354,1339 2.628,1340 31.321,1341 72.735,1342 172.518,1343 238.296,1344 263.315,1345 268.825,1346 268.825,1347 45.473,1348 7.027,1349 41.57,1350 41.57,1351 17,1352 12.33,1353 3.17,1354 2.807,1355 41.769,1356 93,1357 102,1358 0.221,1359 194.046,1360 347.62,1361 465.233,1362 10042,1364 17.648,1365 0.706,1366 0.604,1367 17.648,1368 15.092,1369 12.224,1370 0.453,1371 0.352,1372 9.417,1373 11.865,1374 9.208,1375 7.644,1376 12.224,1377 9.507,1378 10.266,1379 0.285,1380 0.194,1381 10.266,1382 6.983,1383 8.762,1384 0.183,1385 0.113,1386 8.762,1387 5.441,1388 7.439,1389 0.12,1390 0.067,1391 7.439,1392 4.127,1393 5.594,1394 0.078,1395 0.038,1396 5.594,1397 2.757,1398 0.346,1399 75.729,1400 0.235,1401 24.333,1402 0.605,1403 126,1404 313.449,1405 137.222,1406 302.68,1407 414.47,1408 284,1409 147,1410 305.487,1411 157.643,1412 307.11,1413 450.78,1414 290,1415 4.747}
{0 CHEMBL554179,1 1.489,2 8.316,3 3.089,4 9.542,5 74.069,6 6.982,7 0.3,8 3.686,9 3.81,10 3.193,11 3.186,12 4.792,13 3.162,14 4.228,15 4.423,16 3.519,17 3.555,18 5.285,19 3.504,20 4.422,21 4.618,22 3.565,23 3.679,24 5.454,25 3.602,26 4.549,27 4.771,28 3.465,29 3.641,30 5.572,31 3.561,32 4.38,33 4.604,34 3.368,35 3.583,36 5.39,37 3.476,38 4.315,39 4.547,40 3.279,41 3.495,42 5.383,43 3.389,44 4.246,45 4.486,46 2.962,47 3.369,48 5.286,49 3.208,50 4.127,51 4.437,52 2.504,53 3.078,54 4.95,55 2.84,56 0.015,57 0.518,58 8.1,59 3.333,60 8.137,61 4.545,62 0.33,63 0.815,64 15.351,65 5.233,66 25.427,67 7.528,68 0.083,69 0.937,70 18.403,71 7.031,72 23.356,73 9.72,74 0.382,75 0.946,76 22.68,77 7.13,78 53.727,79 9.649,80 0.219,81 0.867,82 18.259,83 6.617,84 28.291,85 9.301,86 0.165,87 0.81,88 17.16,89 6.019,90 34.558,91 8.551,92 0.266,93 0.731,94 16.259,95 5.732,96 40.058,97 8.069,98 0.106,99 0.607,100 14.727,101 5.135,102 28.379,103 7.775,104 29,105 27,106 0.273,107 0.649,108 0.814,109 0.838,110 0.838,111 0.838,112 3.01,113 0.946,114 -3.52,115 -3.49,116 -3.34,121 40.5,123 2,126 2,127 1,129 1,142 1,143 1,144 3,145 2,146 1,161 1,176 7,179 3,180 2,185 3,187 7,192 3,197 4,200 5,206 6,211 1,214 5,219 6,222 1,224 1,227 5,232 4,239 4,244 1,247 2,251 2,256 1,264 1,269 2,281 425,282 12.698,283 12.698,284 12.698,285 12.698,286 12.698,287 11.634,288 17.029,289 7.666,290 12.974,291 9.815,292 9.815,293 9.815,294 9.815,295 9.815,296 8.052,297 20.286,298 3.553,299 10.234,300 3.721,301 1.665,302 0.764,303 0.635,304 0.635,305 0.635,306 3.665,310 1,311 1,312 1,313 318,314 3.464,317 38.656,318 48.946,321 73.968,325 1.524,326 17.465,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 41,338 158,339 4.459,340 3.774,341 6.714,342 4.146,343 3.164,344 4.078,345 2.208,346 10.915,347 3.109,348 3.882,349 3.399,350 5.861,351 3.607,352 2.676,353 3.078,354 0.911,355 8.037,356 2.47,357 3.555,358 2.738,359 5.59,360 3.264,361 2.309,362 2.708,363 0.655,364 7.018,365 2.2,366 3.446,367 2.397,368 4.584,369 2.594,370 1.641,371 2.125,372 0.44,373 4.418,374 1.566,375 2.941,376 1.991,377 4.137,378 2.542,379 1.545,380 2.075,381 0.13,382 3.713,383 1.535,384 2.694,385 1.757,386 3.561,387 2.226,388 1.255,389 1.604,391 2.559,392 1.215,393 2.325,394 1.607,395 3.437,396 2.033,397 1.069,398 1.238,400 2.457,401 1.016,402 2.029,403 1.073,404 3.23,405 1.785,406 0.794,407 0.919,409 1.767,410 0.78,411 1.722,412 0.669,413 2.516,414 1.179,415 0.219,416 0.29,418 0.369,419 0.209,420 1.19,421 0.416,422 2.412,423 0.777,424 -0.193,425 -0.251,427 -0.449,428 -0.184,429 0.655,430 -0.248,431 2.183,432 0.255,433 -0.725,434 -0.952,436 -1.527,437 -0.707,438 0.539,439 -0.466,440 2,441 0.09,442 -0.908,443 -1,445 -2,446 -0.892,447 0.14,448 -0.6,449 1.743,450 -0.1,451 -1,452 -1.201,454 -2.292,455 -0.9,457 -0.874,458 1.399,459 -0.17,460 -1.16,461 -1.478,463 -2.553,464 -1.149,465 -0.236,466 -0.917,467 1.156,468 -0.484,469 -1.454,470 -1.804,472 -4.179,473 -1.423,474 8.967,475 0.472,476 0.456,477 0.024,478 22,479 1.158,480 10,481 0.526,482 12,483 0.632,484 14.372,485 0.756,486 21.033,487 0.568,488 15.326,489 0.807,490 4.541,491 0.239,492 4.589,493 0.242,494 0.204,496 0.323,501 0.805,502 1.438,503 0.847,504 1.202,505 0.63,506 1.051,507 0.708,508 0.846,509 0.875,510 0.819,511 0.471,512 0.843,513 0.92,514 1.316,515 0.971,516 1.29,517 0.695,518 1.163,519 1.913,520 0.852,521 1.18,522 0.829,523 1.596,524 0.895,525 0.984,526 1.069,527 1.024,528 1.065,529 0.935,530 1.06,531 1.059,532 1.072,533 1.025,534 1.05,535 1.392,536 1.034,537 1.068,538 0.972,539 1.277,540 1.136,541 1.334,542 1.231,543 0.513,544 1.14,545 0.945,546 1.166,547 0.608,548 1.132,549 3.5,550 0.033,551 2.444,552 1.132,553 0.858,554 0.566,555 0.457,556 0.274,557 0.094,558 0.06,559 2863,560 7845,561 1.965,562 48.6,563 2,564 12,565 1,567 1,569 2,572 1.605,573 1.81,574 3.045,575 -0.301,577 1,579 1,582 55.088,583 1.489,584 3.544,585 4.446,586 4.574,587 4.574,588 4.574,589 2.531,590 3.787,591 4.211,592 3.165,593 541.298,594 7.188,595 5283.29,596 1,597 1,599 1,600 192.75,601 1.509,602 4.159,603 0.175,604 0.008,605 0.091,606 0.042,607 0.036,608 0.026,609 0.023,610 0.021,611 0.013,612 0.012,613 0.447,614 0.67,615 1,616 1.722,617 82.148,618 -0.022,619 -0.226,620 0.048,621 -0.11,622 -0.028,623 -0.034,624 0.278,625 0.291,626 0.086,627 0.166,628 0.153,629 0.116,631 -0.29,632 -0.029,633 -0.262,634 0.048,635 -0.165,636 -0.315,637 0.08,638 -0.134,639 0.116,640 -0.244,641 0.03,642 -0.015,643 -0.083,644 -0.064,645 -0.066,646 -0.034,647 -0.076,648 -0.096,649 -0.084,650 -0.06,651 -0.067,652 -0.148,653 -0.058,654 -0.06,655 -0.004,656 -0.309,657 -0.166,658 -0.149,659 -0.266,660 0.078,661 -0.287,662 0.005,663 -0.218,664 0.096,665 -0.135,666 2.02,667 4.627,668 0.474,669 15.202,670 0.998,671 1.128,672 2.289,673 5.238,674 0.649,675 3.045,676 3.332,677 3.584,678 3.807,679 3.989,680 4.06,681 4.127,682 4.159,683 3.951,684 3.738,685 4.931,686 0.613,687 258.35,688 3.045,689 4.554,690 5.389,691 6.256,692 7.124,693 8.003,694 8.883,695 9.769,696 10.655,697 11.544,698 5.4,700 1,705 1,715 3,720 3,722 6,737 1,741 37,743 8,744 1,745 20,747 38,748 15,749 6,750 3,751 3,756 2,757 3,767 3,770 3,771 2,772 7,773 6,777 1,782 1,786 1,789 1,790 1,793 18,794 4,795 1,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,836 1,837 1,853 1,859 1,864 2,868 19,876 3,877 1,878 1,880 1,881 1,885 1,886 1,891 1,893 5.4,896 1,898 1,901 10.5,902 7.2,903 4.361,904 2.131,907 1.549,908 1.246,909 0.93,910 4.336,911 7.842,912 3.296,913 3.75,914 4.216,915 4.676,916 5.143,917 5.319,918 5.57,919 5.794,920 5.672,921 5.68,922 0.833,923 27,924 6.997,926 2.842,927 0.026,929 7.816,931 13.334,933 10.538,936 2.316,937 44,938 0.001,941 200.109,942 111.125,943 21.135,945 36.145,948 111.125,949 236.254,950 21.135,951 16.793,952 10.299,953 46.439,954 25.145,955 22.614,956 58.885,957 188.338,959 200.109,960 132.26,961 36.145,964 176.567,965 59.687,968 28.31,969 86.92,970 17.031,972 200.109,973 57.28,974 111.125,977 200.109,978 25.552,979 48.346,980 35.041,981 59.466,982 200.109,983 57.28,984 111.125,986 0.568,987 0.33,988 0.167,989 0.096,990 12,991 6,992 0.105,993 4,994 1,995 1.222,996 3.071,997 133.009,998 0.222,999 9,1000 78.711,1005 13.762,1006 5.987,1007 3.022,1009 57.28,1010 5.806,1015 2.938,1017 18.011,1018 368.514,1019 26,1024 11.627,1028 -0.353,1031 36.927,1032 41.737,1034 0.286,1035 0.68,1036 0.853,1037 0.878,1038 0.878,1039 0.878,1040 4.538,1041 0.794,1042 5.371,1043 2.457,1044 4.007,1045 4.431,1046 2.503,1047 6.18,1048 3.929,1049 5.721,1050 0.219,1051 6.934,1052 1.767,1053 3.611,1054 4.182,1055 1.847,1056 7.13,1057 3.489,1058 7.012,1059 -0.193,1060 8.606,1061 0.369,1062 5.587,1063 6.479,1064 3.569,1065 10.234,1066 5.437,1067 8.338,1068 -0.725,1069 10.34,1070 -0.449,1071 6.043,1072 7.089,1073 3.656,1074 12.039,1075 5.863,1076 9.697,1077 -0.908,1078 12.114,1079 -1.527,1080 7.493,1081 8.881,1082 4.964,1083 14.663,1084 7.291,1085 11.079,1086 -1,1087 13.915,1088 -2,1089 8.326,1090 9.891,1091 5.37,1092 16.808,1093 8.107,1094 12.479,1095 -1.16,1096 15.735,1097 -2.292,1098 9.576,1099 11.48,1100 6.459,1101 19.276,1102 9.34,1103 3.164,1104 -1.454,1105 17.569,1106 -2.553,1107 10.578,1108 12.684,1109 7.028,1110 21.561,1111 10.331,1112 2.676,1113 10.915,1114 19.414,1115 -4.179,1116 11.752,1117 14.181,1118 7.994,1119 23.977,1120 11.492,1121 2.309,1122 8.037,1123 21.268,1124 4.078,1125 12.83,1126 15.482,1127 8.654,1128 26.321,1129 12.56,1130 1.641,1131 7.018,1132 23.128,1133 3.078,1134 13.979,1135 16.934,1136 9.549,1137 28.719,1138 13.697,1139 1.545,1140 4.418,1141 24.995,1142 2.708,1143 15.091,1144 18.284,1145 10.263,1146 31.089,1147 14.8,1148 1.255,1149 3.713,1150 26.867,1151 2.125,1152 16.233,1153 19.715,1154 11.116,1155 33.481,1156 15.931,1157 1.069,1158 2.559,1159 28.744,1160 2.075,1161 17.362,1162 21.091,1163 11.862,1164 35.861,1165 17.049,1166 3025,1167 5069,1168 12.83,1169 24.012,1170 30.705,1171 30.747,1172 31.027,1173 29.383,1174 29.342,1175 36.231,1176 8.689,1177 82.506,1178 28.201,1179 5.359,1180 5.774,1181 6.576,1182 5.21,1183 5.164,1184 7.078,1185 3.912,1186 18.09,1187 5.109,1188 10.694,1189 1.535,1190 1.537,1191 1.551,1192 1.469,1193 1.467,1194 1.812,1195 0.434,1196 4.125,1197 1.41,1198 4.033,1199 4.061,1200 3.975,1201 3.962,1202 7.433,1203 3.961,1204 3.642,1205 3.702,1206 3.557,1207 3.444,1208 5.432,1209 3.448,1210 3.557,1211 3.62,1212 3.45,1213 3.341,1214 4.808,1215 3.37,1216 3.379,1217 3.437,1218 3.241,1219 3.272,1220 4.319,1221 3.258,1222 3.081,1223 3.113,1224 2.953,1225 2.882,1226 4.175,1227 2.89,1228 2.909,1229 3.009,1230 2.759,1231 2.621,1232 4.031,1233 2.653,1234 2.874,1235 2.968,1236 2.53,1237 2.618,1238 3.765,1239 2.57,1240 2.677,1241 2.74,1242 2.499,1243 2.474,1244 3.467,1245 2.477,1246 0.223,1247 0.189,1248 0.336,1249 0.207,1250 0.158,1251 4.459,1252 0.204,1253 3.774,1254 0.11,1255 6.714,1256 0.546,1257 4.146,1258 0.155,1259 3.164,1260 4.078,1261 2.208,1262 10.915,1263 3.109,1264 1.893,1265 1.876,1266 1.987,1267 1.986,1268 1.187,1269 1.984,1270 1.637,1271 1.577,1272 1.854,1273 1.839,1274 1.175,1275 1.842,1276 1.512,1277 1.436,1278 1.782,1279 1.792,1280 0.834,1281 1.796,1282 1.431,1283 1.379,1284 1.657,1285 1.577,1286 0.73,1287 1.61,1288 1.068,1289 1.012,1290 1.417,1291 1.247,1292 0.469,1293 1.308,1294 0.934,1295 0.87,1296 1.305,1297 1.239,1298 0.462,1299 1.262,1300 0.888,1301 0.804,1302 1.064,1303 1.216,1304 0.115,1305 1.169,1306 0.674,1307 0.584,1308 1.028,1309 0.926,1311 0.966,1312 3.714,1314 5.004,1315 2.398,1316 6.491,1317 4.727,1318 8.075,1319 6.843,1320 9.715,1322 3.339,1328 2.424,1329 3.304,1330 5.39,1332 0.254,1333 1.419,1337 5.268,1339 2.584,1340 22.687,1341 55.088,1342 131.134,1343 164.485,1344 169.24,1345 169.24,1346 169.24,1347 31.071,1348 6.293,1349 41.57,1350 41.57,1351 11,1352 12.075,1353 3.17,1354 2.807,1355 33.578,1356 55,1357 64,1358 0.315,1359 143.885,1360 256.18,1361 342.841,1362 3597,1364 13.828,1365 0.728,1366 0.593,1367 13.828,1368 11.272,1369 9.13,1370 0.457,1371 0.315,1372 6.209,1373 8.764,1374 5.984,1375 5.025,1376 9.13,1377 6.309,1378 7.955,1379 0.295,1380 0.176,1381 7.955,1382 4.763,1383 6.485,1384 0.185,1385 0.093,1386 6.485,1387 3.241,1388 4.916,1389 0.112,1390 0.052,1391 4.916,1392 2.296,1393 3.946,1394 0.074,1395 0.028,1396 3.946,1397 1.499,1398 0.478,1399 57.373,1400 0.279,1401 18.894,1402 0.902,1403 94,1404 281.449,1405 104.222,1406 271.018,1407 362.89,1408 252,1409 109,1410 260.43,1411 119.142,1412 265.591,1413 384.25,1414 246,1415 7.276}
{0 CHEMBL554452,1 1.531,2 6.375,3 1.465,4 2.146,5 61.714,6 6.884,7 0.353,8 3.555,9 3.684,10 3.046,11 3.029,12 4.64,13 3.009,14 4.101,15 4.295,16 3.406,17 3.426,18 5.174,19 3.378,20 4.297,21 4.494,22 3.425,23 3.525,24 5.358,25 3.45,26 4.394,27 4.621,28 3.236,29 3.391,30 5.467,31 3.315,32 4.106,33 4.34,34 3.048,35 3.199,36 5.161,37 3.104,38 3.971,39 4.199,40 2.91,41 3.073,42 5.047,43 2.986,44 3.929,45 4.18,46 2.565,47 3.014,48 4.988,49 2.837,50 3.881,51 4.209,52 1.803,53 2.746,54 4.585,55 2.433,56 0.022,57 0.456,58 7.309,59 2.856,60 7.163,61 3.996,62 0.311,63 0.704,64 13.669,65 4.715,66 22.847,67 6.816,68 0.081,69 0.798,70 16.467,71 6.036,72 19.072,73 8.514,74 0.385,75 0.738,76 19.788,77 5.535,78 52.201,79 7.823,80 0.218,81 0.607,82 14.266,83 4.43,84 26.843,85 6.534,86 0.171,87 0.539,88 12.422,89 3.673,90 26.811,91 5.473,92 0.223,93 0.509,94 11.882,95 3.914,96 35.898,97 5.777,98 0.124,99 0.425,100 11.563,101 3.651,102 22.398,103 5.835,104 20,105 24,106 0.294,107 0.638,108 0.79,109 0.819,110 0.819,111 0.819,112 2.854,113 0.946,114 -2.81,115 -2.82,116 -2.74,121 37.5,123 2,126 2,129 1,144 3,145 2,146 1,161 1,165 1,166 1,167 1,176 6,179 3,180 2,185 2,187 7,189 2,192 3,197 3,200 5,203 3,206 6,211 1,214 3,216 1,219 6,221 1,222 1,224 1,229 1,232 4,246 2,247 2,281 254,282 10.414,283 10.414,284 10.414,285 10.414,286 10.414,287 9.556,288 14.147,289 6.011,290 10.643,291 8.34,292 8.34,293 8.34,294 8.34,295 8.34,296 6.923,297 17.768,298 2.801,299 8.687,300 3.469,301 1.674,302 0.883,303 0.735,304 0.735,305 0.735,306 3.496,311 1,312 1,313 208,314 3,317 30.35,318 39.006,321 58.458,325 1,326 16.439,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 35,338 102,339 4.452,340 3.774,341 6.686,342 4.131,343 3.149,344 4.075,345 2.208,346 10.774,347 3.096,348 3.876,349 3.371,350 5.829,351 3.597,352 2.665,353 3.073,354 0.655,355 7.857,356 2.462,357 3.471,358 2.632,359 5.523,360 3.205,361 2.246,362 2.674,363 0.522,364 6.79,365 2.147,366 2.939,367 1.991,368 4.403,369 2.55,370 1.551,371 2.112,372 0.13,373 3.852,374 1.55,375 2.556,376 1.747,377 4.103,378 2.32,379 1.367,380 1.564,382 3.701,383 1.298,384 2.323,385 1.57,386 3.555,387 2.033,388 1.07,389 1.237,391 2.486,392 1.016,393 1.967,394 1.066,395 3.253,396 1.769,397 0.779,398 0.885,400 1.776,401 0.765,402 1.204,403 0.581,404 2.471,405 0.825,406 -0.14,407 -0.173,409 -0.341,410 -0.133,411 0.672,412 -0.166,413 2.255,414 0.364,415 -0.605,416 -0.713,418 -1.433,419 -0.583,420 0.539,421 -0.418,422 2,423 0.09,424 -0.908,425 -1,427 -2,428 -0.892,430 -0.6,431 1.835,432 -0.1,433 -1,434 -1.2,436 -2.295,437 -0.9,438 -0.049,439 -0.911,440 1.414,441 -0.249,442 -1.229,443 -1.428,445 -3.285,446 -1.205,447 -0.238,448 -1.13,449 1.367,450 -0.49,451 -1.458,452 -1.805,454 -4.179,455 -1.425,456 -0.5,457 -1.236,458 1.091,459 -0.724,460 -1.703,461 -1.9,462 -0.4,463 -5.224,464 -1.574,465 -0.575,466 -1.469,467 1,468 -0.86,469 -1.819,470 -2.119,471 -0.522,472 -5.563,473 -1.717,474 7.467,475 0.467,476 0.494,477 0.031,478 18.25,479 1.141,480 8,481 0.5,482 10.25,483 0.641,484 11.735,485 0.733,486 18.333,487 0.573,488 11.998,489 0.75,490 3.656,491 0.228,492 3.936,493 0.246,494 0.232,496 0.388,501 0.832,502 1.408,503 0.867,504 1.209,505 0.737,506 1.056,507 0.598,508 0.806,509 0.803,510 0.818,511 0.479,512 0.825,513 0.893,514 1.338,515 0.96,516 1.346,517 0.733,518 1.193,519 1.947,520 0.895,521 1.22,522 0.859,523 1.733,524 0.922,525 1.127,526 1.104,527 1.026,528 1.055,529 1.015,530 1.035,531 1.355,532 1.139,533 1.147,534 1.058,535 1.622,536 1.063,537 0.874,538 0.987,539 1.29,540 1.179,541 1.231,542 1.294,543 0.516,544 1.114,545 1.076,546 1.193,547 0.673,548 1.231,549 3.5,551 2.444,552 1.132,553 0.733,554 0.458,555 0.341,556 0.2,559 1722,560 4448,561 1.958,562 50,563 2,564 10,567 2,569 2,572 1.554,573 1.778,574 2.727,575 0.451,577 1,578 1,579 1,582 48.98,583 1.531,584 3.326,585 4.117,586 4.265,587 4.265,588 4.265,589 2.18,590 3.75,591 3.974,592 2.812,593 337.491,594 6.704,595 2889.57,597 1,599 1,600 160,601 1.561,602 3.895,603 0.206,605 0.102,606 0.049,607 0.041,608 0.031,609 0.026,610 0.025,613 0.479,614 0.83,615 1,616 1.5,617 63.495,618 -0.06,619 -0.124,620 0.037,621 -0.055,622 -0.102,623 0.004,624 0.303,625 0.345,626 0.147,627 0.227,628 0.174,629 0.177,630 -0.006,631 -0.289,632 -0.026,633 -0.28,634 0.042,635 -0.171,636 -0.339,637 -0.001,638 -0.164,639 0.064,640 -0.264,641 -0.014,642 -0.031,643 -0.138,644 -0.043,645 -0.086,646 0.004,647 -0.075,648 -0.203,649 -0.141,650 -0.156,651 -0.104,652 -0.201,653 -0.12,654 -0.016,655 -0.001,656 -0.347,657 -0.214,658 -0.007,659 -0.329,660 0.016,661 -0.298,662 -0.158,663 -0.279,664 0.015,665 -0.257,666 2.02,667 4.466,668 0.563,669 8.375,670 1.001,671 1.135,672 1.583,673 2.506,674 0.633,675 2.89,676 3.219,677 3.466,678 3.664,679 3.807,680 3.807,681 3.829,682 3.784,683 3.401,684 2.944,685 4.053,686 0.599,687 220.3,688 2.89,689 4.419,690 5.263,691 6.138,692 7.008,693 7.888,694 8.766,695 9.65,696 10.532,697 11.417,698 6.3,699 1,705 1,715 3,720 3,722 6,737 1,741 32,743 7,744 1,745 17,747 33,748 12,749 6,750 3,751 3,756 2,757 3,767 3,770 3,772 7,773 5,777 1,782 1,786 1,790 1,793 16,794 4,795 2,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,851 1,859 1,864 2,868 16,869 1,876 2,878 1,880 1,881 1,893 6.3,896 1,898 1,901 9,902 6.2,903 3.528,904 1.825,907 1.354,908 1.229,909 0.939,910 3.055,911 7.276,912 3.091,913 3.624,914 4.123,915 4.589,916 5.038,917 5.145,918 5.345,919 5.457,920 5.127,921 4.739,922 1,923 23,924 5.911,926 2.454,927 0.026,929 7.844,931 11.253,933 9.074,936 2.344,937 37.5,938 0.003,941 164.795,942 68.668,943 36.022,945 36.145,948 68.668,949 200.94,950 36.022,951 16.793,952 41.091,953 28.429,954 25.145,955 22.614,956 6.763,957 164.795,959 164.795,960 104.689,961 36.145,964 141.253,965 59.687,968 41.091,969 63.599,972 164.795,973 72.166,974 68.668,977 164.795,978 23.446,979 48.346,981 69.042,982 164.795,983 72.166,984 68.668,986 0.591,987 0.347,988 0.165,989 0.088,990 12,991 6,992 0.061,993 2,994 1,995 1.222,996 2.744,997 106.571,998 0.222,999 9,1000 62,1005 11.27,1006 4.337,1007 2.169,1009 72.166,1010 5.695,1015 2.818,1017 32.897,1018 305.629,1019 21,1024 11.466,1028 -0.353,1031 32.043,1032 36.322,1034 0.306,1035 0.665,1036 0.823,1037 0.853,1038 0.853,1039 0.853,1040 4.337,1041 -0.14,1042 5.273,1043 1.776,1044 3.892,1045 4.304,1046 2.372,1047 6.098,1048 3.817,1049 5.53,1050 -0.605,1051 6.855,1052 -0.341,1053 3.611,1054 4.182,1055 1.847,1056 7.071,1057 3.489,1058 6.835,1059 -0.908,1060 8.54,1061 -1.433,1062 5.501,1063 6.406,1064 3.532,1065 10.156,1066 5.359,1067 8.176,1068 -1,1069 10.282,1070 -2,1071 6.019,1072 7.081,1073 3.656,1074 11.954,1075 5.842,1076 9.551,1077 -1.229,1078 12.059,1079 -2.295,1080 7.427,1081 8.846,1082 4.956,1083 14.571,1084 7.235,1085 10.95,1086 -1.458,1087 13.861,1088 -3.285,1089 8.288,1090 9.882,1091 5.37,1092 16.703,1093 8.075,1094 12.366,1095 -1.703,1096 15.68,1097 -4.179,1098 9.518,1099 11.462,1100 6.458,1101 19.163,1102 9.292,1103 3.149,1104 -1.819,1105 17.512,1106 -5.224,1107 10.53,1108 12.674,1109 7.028,1110 21.436,1111 10.29,1112 2.665,1113 10.774,1114 19.355,1115 -5.563,1116 11.693,1117 14.169,1118 7.994,1119 23.842,1120 11.444,1121 2.246,1122 7.857,1123 21.207,1124 4.075,1125 12.772,1126 15.471,1127 8.654,1128 26.173,1129 12.512,1130 1.551,1131 6.79,1132 23.065,1133 3.073,1134 13.914,1135 16.924,1136 9.549,1137 28.56,1138 13.645,1139 1.367,1140 3.852,1141 24.929,1142 2.674,1143 15.025,1144 18.274,1145 10.263,1146 30.917,1147 14.745,1148 1.07,1149 3.701,1150 26.798,1151 2.112,1152 16.162,1153 19.704,1154 11.116,1155 33.297,1156 15.871,1157 0.779,1158 2.486,1159 28.671,1160 1.564,1161 17.287,1162 21.079,1163 11.862,1164 35.665,1165 16.986,1166 1829,1167 3005,1168 10.751,1169 20.25,1170 25.873,1171 26.799,1172 27.173,1173 25.707,1174 25.653,1175 31.24,1176 7.029,1177 74.473,1178 24.668,1179 5.33,1180 5.774,1181 6.205,1182 5.194,1183 5.149,1184 7.075,1185 3.912,1186 17.89,1187 5.096,1188 9.115,1189 1.522,1190 1.576,1191 1.598,1192 1.512,1193 1.509,1194 1.838,1195 0.413,1196 4.381,1197 1.451,1198 4.027,1199 4.053,1200 3.968,1201 3.957,1202 7.433,1203 3.956,1204 3.634,1205 3.697,1206 3.547,1207 3.363,1208 5.035,1209 3.391,1210 3.451,1211 3.516,1212 3.312,1213 3.301,1214 4.738,1215 3.299,1216 3.103,1217 3.17,1218 2.962,1219 2.894,1220 4.276,1221 2.901,1222 2.954,1223 3.015,1224 2.771,1225 2.618,1226 4.056,1227 2.645,1228 2.874,1229 3.009,1230 2.499,1231 2.605,1232 3.895,1233 2.57,1234 2.65,1235 2.719,1236 2.484,1237 2.439,1238 3.467,1239 2.429,1240 2.539,1241 2.615,1242 2.365,1243 2.354,1244 3.294,1245 2.357,1246 0.262,1247 0.222,1248 0.393,1249 0.243,1250 0.185,1251 4.452,1252 0.24,1253 3.774,1254 0.13,1255 6.686,1256 0.634,1257 4.131,1258 0.182,1259 3.149,1260 4.075,1261 2.208,1262 10.774,1263 3.096,1264 1.891,1265 1.873,1266 1.984,1267 1.983,1268 1.175,1269 1.981,1270 1.581,1271 1.517,1272 1.827,1273 1.816,1274 1.142,1275 1.811,1276 1.511,1277 1.434,1278 1.782,1279 1.763,1280 0.834,1281 1.784,1282 1.105,1283 1.038,1284 1.417,1285 1.343,1286 0.491,1287 1.365,1288 0.934,1289 0.87,1290 1.381,1291 1.239,1292 0.469,1293 1.308,1294 0.888,1295 0.804,1296 1.064,1297 1.23,1298 0.115,1299 1.169,1300 0.601,1301 0.559,1302 0.978,1303 0.915,1305 0.948,1306 0.528,1307 0.384,1308 0.821,1309 0.838,1311 0.851,1312 3.555,1314 4.875,1315 2.398,1316 6.385,1317 4.727,1318 7.983,1319 6.823,1320 9.63,1322 3.328,1326 5.955,1328 1.805,1330 5.298,1332 0.077,1333 1.411,1340 19.16,1341 48.98,1342 106.436,1343 131.735,1344 136.49,1345 136.49,1346 136.49,1347 24.614,1348 5.922,1349 55.56,1350 55.56,1351 11,1352 11.95,1353 3,1354 2.322,1355 25.866,1356 38,1357 34,1358 0.351,1359 120.963,1360 209.56,1361 286.91,1362 2159,1364 11.707,1365 0.732,1366 0.598,1367 11.707,1368 9.565,1369 7.592,1370 0.447,1371 0.315,1372 5.268,1373 7.261,1374 5.072,1375 4.255,1376 7.592,1377 5.358,1378 7.03,1379 0.293,1380 0.176,1381 7.03,1382 4.231,1383 5.767,1384 0.186,1385 0.092,1386 5.767,1387 2.837,1388 4.262,1389 0.112,1390 0.051,1391 4.262,1392 1.934,1393 3.305,1394 0.075,1395 0.027,1396 3.305,1397 1.201,1398 0.521,1399 47.98,1400 0.305,1401 15.848,1402 1.046,1403 82,1404 244.428,1405 91.529,1406 232.667,1407 313.09,1408 216,1409 96,1410 228.656,1411 105.31,1412 231.868,1413 337.87,1414 215,1415 8.046}
{0 CHEMBL554453,1 1.489,2 8.474,3 3.089,4 9.542,5 74.069,6 6.982,7 0.3,8 3.686,9 3.81,10 3.193,11 3.186,12 4.791,13 3.162,14 4.228,15 4.423,16 3.519,17 3.555,18 5.29,19 3.504,20 4.421,21 4.618,22 3.532,23 3.678,24 5.456,25 3.593,26 4.537,27 4.773,28 3.388,29 3.621,30 5.544,31 3.519,32 4.338,33 4.575,34 3.323,35 3.515,36 5.339,37 3.41,38 4.222,39 4.439,40 3.177,41 3.426,42 5.263,43 3.318,44 4.181,45 4.433,46 3.056,47 3.279,48 5.225,49 3.151,50 3.979,51 4.228,52 2.771,53 3.047,54 5.038,55 2.927,56 0.015,57 0.518,58 8.1,59 3.333,60 8.038,61 4.545,62 0.33,63 0.815,64 15.351,65 5.233,66 25.632,67 7.528,68 0.098,69 0.937,70 18.423,71 7.037,72 24.514,73 9.729,74 0.351,75 0.939,76 22.354,77 7.166,78 53.925,79 9.905,80 0.2,81 0.819,82 17.607,83 6.295,84 28.526,85 8.94,86 0.17,87 0.73,88 15.568,89 5.651,90 28.843,91 7.801,92 0.204,93 0.679,94 15.268,95 5.33,96 31.449,97 7.624,98 0.177,99 0.552,100 12.62,101 3.869,102 35.089,103 5.627,104 29,105 27,106 0.273,107 0.649,108 0.814,109 0.838,110 0.838,111 0.838,112 3.01,113 0.946,114 -3.52,115 -3.49,116 -3.34,121 40.5,123 2,126 2,127 1,129 1,142 1,143 1,144 3,145 2,146 1,161 1,176 7,179 3,180 2,185 3,187 8,192 2,197 4,200 6,206 5,211 1,214 3,219 6,222 1,224 1,227 5,232 2,239 4,244 5,247 2,251 2,256 1,264 1,269 2,281 423,282 12.646,283 12.646,284 12.646,285 12.646,286 12.646,287 11.609,288 18.515,289 7.619,290 12.929,291 9.821,292 9.821,293 9.821,294 9.821,295 9.821,296 8.071,297 22.53,298 3.565,299 10.249,300 3.721,301 1.665,302 0.764,303 0.635,304 0.635,305 0.635,306 3.665,310 1,311 1,312 1,313 325,314 3.464,317 42.814,318 48.202,321 76.279,325 1.391,326 16.951,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 41,338 161,339 4.382,340 3.763,341 6.547,342 4.083,343 3.096,344 3.98,345 2.208,346 10.364,347 3.058,348 3.916,349 3.357,350 5.808,351 3.624,352 2.697,353 3.146,354 0.911,355 7.845,356 2.478,357 3.542,358 2.642,359 5.24,360 3.201,361 2.249,362 2.754,363 0.655,364 6.417,365 2.137,366 3.473,367 2.485,368 5.083,369 2.931,370 1.965,371 2.328,372 0.44,373 5.882,374 1.894,375 3.139,376 2.13,377 4.164,378 2.438,379 1.456,380 2.006,381 0.13,382 3.554,383 1.427,384 2.578,385 1.977,386 3.543,387 2.212,388 1.228,389 1.523,391 2.623,392 1.206,393 2.323,394 1.375,395 3.439,396 2.005,397 1.048,398 1.227,400 2.374,401 0.986,402 2.016,403 0.995,404 3.186,405 1.716,406 0.728,407 0.874,409 1.604,410 0.717,411 1.697,412 0.665,413 2.543,414 1.165,415 0.201,416 0.269,418 0.344,419 0.193,420 1.141,421 0.412,422 2.435,423 0.741,424 -0.224,425 -0.285,427 -0.526,428 -0.213,429 0.618,430 -0.268,431 2.144,432 0.205,433 -0.775,434 -1,436 -1.675,437 -0.752,438 0.579,439 -0.519,440 2,441 0.141,442 -0.858,443 -1.004,445 -2,446 -0.855,447 0.164,448 -0.6,449 1.684,450 -0.1,451 -1,452 -1.16,454 -2.403,455 -0.9,457 -0.781,458 1.364,459 -0.148,460 -1.138,461 -1.459,463 -2.708,464 -1.118,465 -0.234,466 -0.929,467 1.151,468 -0.484,469 -1.453,470 -1.801,472 -3.889,473 -1.421,474 8.967,475 0.472,476 0.473,477 0.025,478 22,479 1.158,480 10,481 0.526,482 12,483 0.632,484 14.193,485 0.747,486 21.033,487 0.568,488 15.276,489 0.804,490 4.525,491 0.238,492 4.588,493 0.241,494 0.204,496 0.323,501 0.805,502 1.438,503 0.847,504 1.202,505 0.632,506 1.051,507 0.708,508 0.846,509 0.875,510 0.819,511 0.459,512 0.843,513 0.95,514 1.316,515 1.027,516 1.297,517 0.713,518 1.195,519 1.672,520 0.872,521 1.145,522 0.857,523 1.527,524 0.921,525 0.891,526 0.996,527 0.925,528 1.009,529 0.931,530 0.981,531 1.224,532 1.067,533 1.126,534 1.082,535 1.128,536 1.097,537 0.842,538 1.017,539 0.953,540 1.066,541 1.101,542 1.041,543 1.422,544 1.006,545 1.196,546 0.969,547 1.755,548 1.031,549 4,550 0.033,551 2.222,552 1.104,553 0.893,554 0.479,555 0.426,556 0.318,557 0.157,558 0.06,559 2959,560 8037,561 1.965,562 48.6,563 2,564 12,565 1,567 1,569 2,572 1.603,573 1.81,574 3.088,575 -0.301,577 1,579 1,582 55.088,583 1.489,584 3.544,585 4.446,586 4.574,587 4.574,588 4.574,589 2.505,590 4.037,591 4.213,592 3.203,593 547.749,594 7.183,595 5409.04,596 1,597 1,599 1,600 192.75,601 1.509,602 4.159,603 0.2,604 0.008,605 0.082,606 0.042,607 0.041,608 0.023,609 0.024,610 0.021,611 0.014,612 0.012,613 0.468,614 0.67,615 1,616 1.722,617 82.632,618 -0.022,619 -0.226,620 0.048,621 -0.11,622 -0.031,623 -0.034,624 0.278,625 0.291,626 0.086,627 0.166,628 0.165,629 0.116,630 -0.031,631 -0.289,632 -0.087,633 -0.268,634 0.033,635 -0.198,636 -0.262,637 0.055,638 -0.118,639 0.09,640 -0.207,641 0.017,642 0.041,643 -0.024,644 0.039,645 -0.021,646 -0.01,647 0.004,648 -0.161,649 -0.089,650 -0.159,651 -0.079,652 -0.184,653 -0.116,654 0.119,655 -0.077,656 0.024,657 -0.102,658 -0.011,659 -0.068,660 -0.225,661 -0.037,662 -0.188,663 -0.049,664 -0.166,665 -0.102,666 2.036,667 4.528,668 0.474,669 15.069,670 0.998,671 1.128,672 2.289,673 5.238,674 0.649,675 3.045,676 3.332,677 3.555,678 3.761,679 3.951,680 4.007,681 4.127,682 4.205,683 3.97,684 3.807,685 5.057,686 0.613,687 258.35,688 3.045,689 4.554,690 5.38,691 6.24,692 7.098,693 7.968,694 8.838,695 9.714,696 10.59,697 11.47,698 5.4,700 1,705 1,715 3,720 3,722 6,737 1,741 37,743 8,744 1,745 20,747 38,748 15,749 6,750 3,751 3,756 2,757 3,767 3,770 3,771 2,772 7,773 6,777 1,782 1,786 1,789 1,790 1,793 18,794 4,795 1,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,836 1,837 1,853 1,859 1,864 2,868 19,876 3,877 1,878 1,880 1,881 1,885 1,886 1,891 1,893 5.4,896 1,898 1,901 10.5,902 7.2,903 4.333,904 2.124,907 1.495,908 1.237,909 0.93,910 4.336,911 7.788,912 3.296,913 3.75,914 4.193,915 4.648,916 5.138,917 5.326,918 5.622,919 5.855,920 5.659,921 5.653,922 0.833,923 26,924 6.993,926 2.837,927 0.026,929 7.816,931 13.334,933 10.533,936 2.316,937 44,938 0.001,941 200.109,942 111.125,943 21.135,945 36.145,948 111.125,949 236.254,950 21.135,951 16.793,952 10.299,953 46.439,954 25.145,955 22.614,956 58.885,957 188.338,959 200.109,960 132.26,961 36.145,964 176.567,965 59.687,968 28.31,969 86.92,970 17.031,972 200.109,973 57.28,974 111.125,977 200.109,978 25.552,979 48.346,980 35.041,981 59.466,982 200.109,983 57.28,984 111.125,986 0.57,987 0.324,988 0.159,989 0.092,990 12,991 6,992 0.105,993 4,994 1,995 1.222,996 3.103,997 131.383,998 0.222,999 9,1000 78.711,1005 13.762,1006 5.987,1007 3.212,1009 57.28,1010 5.785,1015 3.047,1017 18.011,1018 368.514,1019 26,1024 11.528,1028 -0.369,1031 36.927,1032 41.737,1034 0.286,1035 0.68,1036 0.853,1037 0.878,1038 0.878,1039 0.878,1040 4.538,1041 0.728,1042 5.361,1043 2.374,1044 4.007,1045 4.431,1046 2.503,1047 6.146,1048 3.929,1049 5.721,1050 0.201,1051 6.911,1052 1.604,1053 3.611,1054 4.182,1055 1.847,1056 7.024,1057 3.489,1058 7.009,1059 -0.224,1060 8.562,1061 0.344,1062 5.572,1063 6.465,1064 3.569,1065 10.095,1066 5.423,1067 8.327,1068 -0.775,1069 10.271,1070 -0.526,1071 5.994,1072 7.031,1073 3.656,1074 11.809,1075 5.816,1076 9.675,1077 -0.858,1078 12.018,1079 -1.675,1080 7.438,1081 8.822,1082 4.964,1083 14.396,1084 7.24,1085 11.043,1086 -1,1087 13.789,1088 -2,1089 8.23,1090 9.771,1091 5.37,1092 16.465,1093 8.018,1094 12.428,1095 -1.138,1096 15.579,1097 -2.403,1098 9.47,1099 11.357,1100 6.459,1101 18.887,1102 9.244,1103 3.096,1104 -1.453,1105 17.384,1106 -2.708,1107 10.435,1108 12.502,1109 7.028,1110 21.11,1111 10.202,1112 2.697,1113 10.364,1114 19.199,1115 -3.889,1116 11.594,1117 13.992,1118 7.994,1119 23.474,1120 11.352,1121 2.249,1122 7.845,1123 21.024,1124 3.98,1125 12.64,1126 15.24,1127 8.654,1128 25.763,1129 12.394,1130 1.965,1131 6.417,1132 22.856,1133 3.146,1134 13.769,1135 16.681,1136 9.549,1137 28.107,1138 13.517,1139 1.456,1140 5.882,1141 24.695,1142 2.754,1143 14.852,1144 17.987,1145 10.263,1146 30.423,1147 14.597,1148 1.228,1149 3.554,1150 26.54,1151 2.328,1152 15.972,1153 19.401,1154 11.116,1155 32.762,1156 15.712,1157 1.048,1158 2.623,1159 28.389,1160 2.006,1161 17.075,1162 20.74,1163 11.862,1164 35.09,1165 16.81,1166 3108,1167 5188,1168 12.83,1169 24.012,1170 30.732,1171 30.717,1172 30.819,1173 29.383,1174 29.334,1175 36.217,1176 8.689,1177 82.016,1178 28.192,1179 5.269,1180 5.763,1181 6.409,1182 5.143,1183 5.096,1184 6.98,1185 3.912,1186 17.023,1187 5.058,1188 10.756,1189 1.537,1190 1.536,1191 1.541,1192 1.469,1193 1.467,1194 1.811,1195 0.434,1196 4.101,1197 1.41,1198 4.031,1199 4.06,1200 3.971,1201 3.962,1202 7.433,1203 3.96,1204 3.653,1205 3.709,1206 3.573,1207 3.447,1208 5.432,1209 3.455,1210 3.554,1211 3.618,1212 3.448,1213 3.356,1214 4.811,1215 3.38,1216 3.378,1217 3.433,1218 3.246,1219 3.251,1220 4.342,1221 3.243,1222 3.033,1223 3.084,1224 2.903,1225 2.87,1226 4.175,1227 2.866,1228 2.929,1229 3.009,1230 2.776,1231 2.622,1232 3.981,1233 2.663,1234 2.874,1235 2.965,1236 2.557,1237 2.618,1238 3.646,1239 2.57,1240 2.731,1241 2.813,1242 2.499,1243 2.532,1244 3.509,1245 2.527,1246 0.219,1247 0.188,1248 0.327,1249 0.204,1250 0.155,1251 4.382,1252 0.199,1253 3.763,1254 0.11,1255 6.547,1256 0.518,1257 4.083,1258 0.153,1259 3.096,1260 3.98,1261 2.208,1262 10.364,1263 3.058,1264 1.894,1265 1.875,1266 1.986,1267 1.987,1268 1.187,1269 1.984,1270 1.636,1271 1.575,1272 1.855,1273 1.83,1274 1.174,1275 1.838,1276 1.517,1277 1.445,1278 1.783,1279 1.804,1280 0.835,1281 1.802,1282 1.428,1283 1.376,1284 1.652,1285 1.577,1286 0.728,1287 1.607,1288 1.069,1289 1.029,1290 1.417,1291 1.29,1292 0.469,1293 1.308,1294 0.934,1295 0.804,1296 1.281,1297 1.239,1298 0.442,1299 1.275,1300 0.835,1301 0.791,1302 1.092,1303 1.121,1304 0.161,1305 1.104,1306 0.715,1307 0.656,1308 1.026,1309 0.957,1311 0.99,1312 3.714,1314 5.004,1315 2.398,1316 6.482,1317 4.727,1318 8.05,1319 6.823,1320 9.671,1322 3.319,1328 2.605,1329 3.304,1330 5.273,1332 0.254,1333 1.404,1337 5.268,1339 2.584,1340 22.687,1341 55.088,1342 131.134,1343 164.485,1344 169.24,1345 169.24,1346 169.24,1347 30.215,1348 6.293,1349 41.57,1350 41.57,1351 11,1352 12.007,1353 3.17,1354 2.807,1355 33.64,1356 57,1357 62,1358 0.303,1359 143.885,1360 256.18,1361 342.841,1362 3609,1364 13.828,1365 0.728,1366 0.593,1367 13.828,1368 11.272,1369 9.113,1370 0.456,1371 0.315,1372 6.203,1373 8.744,1374 5.975,1375 5.018,1376 9.113,1377 6.303,1378 8.04,1379 0.298,1380 0.178,1381 8.04,1382 4.799,1383 6.442,1384 0.189,1385 0.095,1386 6.442,1387 3.216,1388 4.774,1389 0.114,1390 0.053,1391 4.774,1392 2.23,1393 3.878,1394 0.076,1395 0.029,1396 3.878,1397 1.475,1398 0.465,1399 57.272,1400 0.279,1401 19.001,1402 0.852,1403 94,1404 281.449,1405 104.222,1406 271.245,1407 362.33,1408 252,1409 108,1410 259.43,1411 117.81,1412 264.936,1413 381.38,1414 245,1415 5.538}
{0 CHEMBL555075,1 1.333,2 13.931,3 4.813,4 23.161,5 118.971,6 6.493,7 0.5,8 4.156,9 4.29,10 3.618,11 3.72,12 5.102,13 3.662,14 4.744,15 4.949,16 3.965,17 4.129,18 5.606,19 4.044,20 5.031,21 5.273,22 4.002,23 4.294,24 5.865,25 4.17,26 5.121,27 5.381,28 3.886,29 4.304,30 5.919,31 4.137,32 5.09,33 5.373,34 3.78,35 4.219,36 5.884,37 4.038,38 4.992,39 5.274,40 3.684,41 4.113,42 5.789,43 3.935,44 4.819,45 5.083,46 3.577,47 3.988,48 5.642,49 3.821,50 4.733,51 4.991,52 3.476,53 3.896,54 5.561,55 3.729,56 0.057,57 0.857,58 14.018,59 5.854,60 7.924,61 8.35,62 0.197,63 1.451,64 26.015,65 9.701,66 17.339,67 14.265,68 0.284,69 1.8,70 35.039,71 12.767,72 33.347,73 18.805,74 0.287,75 1.868,76 38.277,77 14.619,78 38.893,79 21.214,80 0.323,81 1.752,82 37.169,83 14.187,84 43.291,85 20.687,86 0.315,87 1.56,88 33.812,89 12.95,90 38.357,91 18.669,92 0.271,93 1.341,94 28.356,95 10.959,96 34.382,97 15.721,98 0.21,99 1.238,100 25.997,101 9.904,102 31.983,103 14.221,104 11,105 44,106 0.216,107 0.521,108 0.743,109 0.827,110 0.834,111 0.834,112 3.407,113 1.022,114 -5.15,115 -5.05,116 -4.72,121 41.7,122 2,123 4,124 1,127 4,144 8,145 2,148 1,154 1,159 1,163 1,176 13,179 1,180 10,187 13,192 10,200 9,206 8,214 10,218 1,219 5,227 14,231 1,232 2,239 13,243 1,244 4,251 10,256 6,264 7,269 4,277 6,281 1376,282 19.886,283 19.886,284 19.886,285 19.886,286 19.886,287 17.861,288 19.205,289 11.756,290 20.171,291 15.737,292 15.737,293 15.737,294 15.737,295 15.737,296 12.62,297 18.541,298 5.521,299 16.152,300 4.574,301 2.693,302 1.321,303 0.804,304 0.758,305 0.758,306 4.106,311 1,312 1,313 883,314 3.317,317 76.919,318 297.31,321 134.249,325 2.214,326 17.979,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 60.5,338 404,339 4.636,340 3.606,341 6.725,342 4.145,343 3.194,344 4.593,345 1.277,346 10.932,347 3.053,348 4.08,349 3.241,350 6.035,351 3.764,352 2.764,353 3.544,354 0.916,355 8.61,356 2.759,357 3.94,358 3.017,359 5.616,360 3.674,361 2.702,362 3.457,363 0.172,364 7.787,365 2.621,366 3.605,367 2.557,368 5.423,369 3.458,370 2.46,371 2.768,373 6.954,374 2.454,375 3.446,376 2.341,377 5.325,378 3.069,379 2.107,380 2.625,382 6.452,383 2.019,384 3.169,385 2.221,386 4.954,387 2.986,388 2.02,389 2.453,391 5.862,392 1.938,393 3.158,394 1.853,395 4.766,396 2.666,397 1.721,398 2.243,400 4.981,401 1.624,402 2.845,403 1.725,404 4.162,405 2.437,406 1.437,407 1.951,409 3.675,410 1.435,411 2.782,412 1.52,413 3.648,414 2.374,415 1.367,416 1.827,418 3.038,419 1.371,420 2.5,421 1.17,422 3.592,423 2.006,424 1.032,425 1.5,427 2.376,428 1.003,429 2.322,430 1.087,431 3.414,432 2,433 1,434 1.269,436 2.275,437 1,438 2,439 1.077,440 3.247,441 1.984,442 1,443 1,445 2.136,446 0.983,447 1.757,448 1,449 3.114,450 1.593,451 0.572,452 0.64,454 1.308,455 0.58,456 1.525,457 0.378,458 2.8,459 1.22,460 0.25,461 0.31,463 0.444,464 0.241,465 1.216,466 0.295,467 2.751,468 1.026,469 0.039,470 0.044,472 0.097,473 0.039,474 14.033,475 0.484,476 0.623,477 0.021,478 33.75,479 1.164,480 15.5,481 0.534,482 18.25,483 0.629,484 28.074,485 0.968,486 31.567,487 0.526,488 22.59,489 0.779,490 6.22,491 0.214,492 7.915,493 0.273,494 0.095,496 0.306,501 0.717,502 1.392,503 0.911,504 1.165,505 0.566,506 1.07,507 0.958,508 1.15,509 0.966,510 1.02,511 0.572,512 0.989,513 1.228,514 1.022,515 1.065,516 0.991,517 0.949,518 1.003,519 1.109,520 1.091,521 1.097,522 1.109,523 1.159,524 1.106,525 0.89,526 0.945,527 0.973,528 0.996,529 1.023,530 0.993,531 1.054,532 0.906,533 0.961,534 0.965,535 1.428,536 0.963,537 1.112,538 0.98,539 1.042,540 1.039,541 1.481,542 1.044,543 1.327,544 1.099,545 1.117,546 1.111,547 1.662,548 1.109,549 5.5,550 0.164,551 3.111,552 2.014,553 1.307,554 0.785,555 0.575,556 0.329,557 0.175,558 0.188,559 12893,560 25781,561 2.111,562 51.7,563 3,564 16,568 5,569 7,572 1.711,573 2,574 3.745,575 -0.853,582 79.982,583 1.333,584 3.214,585 4.585,586 5.102,587 5.148,588 5.148,589 3.237,590 4.349,591 4.829,592 3.923,593 1592.58,594 8.364,595 22976.4,597 1,600 354.413,601 1.314,602 4.8,603 0.172,604 0.007,605 0.071,606 0.046,607 0.035,608 0.024,609 0.019,610 0.012,611 0.007,612 0.009,613 0.402,614 0.33,615 1,616 0.674,617 151.508,618 0.049,619 -0.186,620 0.071,621 -0.051,622 0.011,623 -0.001,624 0.023,625 -0.012,626 0.034,627 -0.002,628 0.054,629 0.015,630 -0.119,631 0.036,632 -0.064,633 -0.005,634 0.007,635 -0.023,636 -0.079,637 -0.11,638 -0.114,639 -0.117,640 -0.042,641 -0.118,642 0.061,643 -0.002,644 0.003,645 -0.018,646 0.021,647 -0.012,648 0.054,649 0.018,650 0.023,651 0.015,652 -0.064,653 0.016,654 0.029,655 -0.029,656 -0.055,657 -0.045,658 -0.071,659 -0.057,660 -0.105,661 -0.14,662 -0.124,663 -0.119,664 -0.142,665 -0.125,666 1.415,667 5.753,668 0.724,669 33.008,670 0.983,671 1.125,672 3.922,673 15.384,674 0.652,675 3.497,676 3.807,677 4.078,678 4.317,679 4.511,680 4.522,681 4.663,682 4.736,683 4.644,684 4.682,685 8.027,686 0.603,687 389.59,688 3.497,689 5.03,690 5.878,691 6.746,692 7.608,693 8.482,694 9.351,695 10.228,696 11.102,697 11.981,698 5,701 1,706 1,708 1,714 2,715 8,716 1,720 3,721 1,722 16,727 1,741 60,743 17,744 2,745 32,747 63,748 25,749 13,750 4,751 8,752 1,756 4,757 5,763 2,767 2,768 1,770 4,772 14,773 11,774 1,777 1,782 1,786 1,793 31,794 3,796 4,799 1,802 3,808 0.75,809 1,828 1,829 3,832 1,855 1,859 3,864 2,868 29,876 8,880 1,881 1,893 1.7,896 1,901 14.5,902 11.267,903 6.444,904 4.072,907 2.833,908 1.369,909 0.984,910 6.227,911 10.508,912 3.738,913 4.314,914 4.893,915 5.463,916 5.958,917 6.203,918 6.616,919 6.893,920 6.69,921 6.711,922 1,923 44,924 10.799,926 4.541,927 0.026,929 7.477,931 21.486,933 18.09,936 1.977,937 57.333,939 1,940 1,941 364.904,942 130.142,943 21.809,945 25.145,948 130.142,949 390.049,950 21.809,951 17.65,952 18.561,953 75.81,954 49.392,955 13.539,956 2.144,957 364.904,959 364.904,960 151.951,961 25.145,964 282.506,965 107.543,968 45.707,969 89.459,970 16.786,972 364.904,973 46.954,974 130.142,977 364.904,978 36.682,979 98.484,981 41.93,982 364.904,983 46.954,984 130.142,986 0.577,987 0.342,988 0.184,989 0.098,990 21,991 9,992 0.111,993 7,994 1,995 1.095,996 4.239,997 244.592,998 0.095,999 21,1000 132.881,1005 20.006,1006 9.026,1007 4.659,1008 2.053,1009 45.055,1010 16.687,1011 4.625,1015 3.2,1016 2.187,1018 542,1019 41,1024 12.753,1028 0.252,1031 59.003,1032 67.517,1034 0.226,1035 0.544,1036 0.776,1037 0.864,1038 0.872,1039 0.872,1040 4.97,1041 1.437,1042 5.849,1043 4.981,1044 4.489,1045 5.001,1046 1.752,1047 6.637,1048 4.44,1049 6.155,1050 1.367,1051 7.393,1052 3.675,1053 4.007,1054 4.783,1055 0.325,1056 7.486,1057 3.924,1058 7.451,1059 1.032,1060 9.035,1061 3.038,1062 6.061,1063 7.189,1064 1.986,1065 10.573,1066 5.957,1067 8.784,1068 1,1069 10.736,1070 2.376,1071 6.415,1072 7.863,1073 0.393,1074 12.283,1075 6.269,1076 10.153,1077 1,1078 12.475,1079 2.275,1080 7.916,1081 9.741,1082 2.341,1083 14.883,1084 7.749,1085 11.549,1086 0.572,1087 14.242,1088 2.136,1089 8.668,1090 10.852,1091 0.384,1092 16.972,1093 8.453,1094 12.966,1095 0.25,1096 16.03,1097 1.308,1098 9.941,1099 12.515,1100 2.756,1101 19.415,1102 9.701,1103 3.194,1104 0.039,1105 17.834,1106 0.444,1107 10.889,1108 13.843,1109 0.351,1110 21.673,1111 10.597,1112 2.764,1113 10.932,1114 19.652,1115 0.097,1116 12.07,1117 15.417,1118 3.203,1119 24.069,1120 11.745,1121 2.702,1122 8.61,1123 21.482,1124 4.593,1125 13.115,1126 16.849,1127 0.312,1128 26.4,1129 12.737,1130 2.46,1131 7.787,1132 23.322,1133 3.544,1134 14.262,1135 18.388,1136 3.667,1137 28.785,1138 13.845,1139 2.107,1140 6.954,1141 25.17,1142 3.457,1143 15.356,1144 19.868,1145 0.273,1146 31.148,1147 14.886,1148 2.02,1149 6.452,1150 27.026,1151 2.768,1152 16.495,1153 21.395,1154 4.143,1155 33.532,1156 15.981,1157 1.721,1158 5.862,1159 28.889,1160 2.625,1161 17.615,1162 22.898,1163 0.236,1164 35.909,1165 17.047,1166 12087,1167 17211,1168 21.671,1169 39.131,1170 47.658,1171 48.515,1172 48.647,1173 47.365,1174 47.329,1175 60.447,1176 4.733,1177 133.85,1178 46.247,1179 5.636,1180 5.606,1181 6.527,1182 5.181,1183 5.194,1184 7.593,1185 2.555,1186 17.913,1187 5.053,1188 12.46,1189 1.489,1190 1.516,1191 1.52,1192 1.48,1193 1.479,1194 1.889,1195 0.148,1196 4.183,1197 1.445,1198 4.136,1199 4.177,1200 4.103,1201 4.02,1202 7.427,1203 4.035,1204 3.955,1205 4.004,1206 3.867,1207 3.867,1208 5.005,1209 3.862,1210 3.832,1211 3.876,1212 3.724,1213 3.73,1214 4.755,1215 3.721,1216 3.652,1217 3.696,1218 3.57,1219 3.497,1220 4.326,1221 3.508,1222 3.432,1223 3.506,1224 3.277,1225 3.27,1226 4.293,1227 3.261,1228 3.301,1229 3.388,1230 3.105,1231 3.124,1232 4.032,1233 3.106,1234 3.184,1235 3.251,1236 3.037,1237 3.026,1238 3.896,1239 3.018,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.71,1245 2.91,1246 0.145,1247 0.113,1248 0.21,1249 0.13,1250 0.1,1251 4.636,1252 0.144,1253 3.606,1254 0.04,1255 6.725,1256 0.342,1257 4.145,1258 0.095,1259 3.194,1260 4.593,1261 1.277,1262 10.932,1263 3.053,1264 1.959,1265 1.933,1266 2.106,1267 2.077,1268 1.485,1269 2.089,1270 1.927,1271 1.893,1272 2.037,1273 2.039,1274 1.209,1275 2.04,1276 1.833,1277 1.784,1278 2.001,1279 1.95,1280 1.159,1281 1.971,1282 1.649,1283 1.583,1284 1.863,1285 1.861,1286 1.044,1287 1.862,1288 1.479,1289 1.421,1290 1.716,1291 1.677,1292 0.948,1293 1.692,1294 1.323,1295 1.235,1296 1.661,1297 1.549,1298 0.825,1299 1.593,1300 1.195,1301 1.135,1302 1.513,1303 1.401,1304 0.739,1305 1.429,1306 1.153,1307 1.064,1308 1.456,1309 1.376,1310 0.684,1311 1.42,1312 4.174,1314 5.485,1315 2.398,1316 6.989,1317 4.844,1318 8.576,1319 7.018,1320 10.206,1322 4.146,1328 8.231,1332 0.663,1333 2.536,1340 36.154,1341 79.982,1342 192.862,1343 275.129,1344 306.149,1345 308.904,1346 308.904,1347 46.601,1348 7.675,1349 38.13,1350 38.13,1351 23,1352 12.519,1353 4.17,1354 3.322,1355 45.197,1356 142,1357 132,1358 0.153,1359 221.965,1360 379.59,1361 533.355,1362 25560,1364 20.217,1365 0.697,1366 0.607,1367 20.217,1368 17.603,1369 14.135,1370 0.442,1371 0.341,1372 10.815,1373 13.794,1374 10.489,1375 8.709,1376 14.135,1377 10.901,1378 12.463,1379 0.283,1380 0.188,1381 12.463,1382 8.274,1383 10.701,1384 0.185,1385 0.109,1386 10.701,1387 6.313,1388 8.839,1389 0.119,1390 0.062,1391 8.839,1392 4.577,1393 7.008,1394 0.078,1395 0.036,1396 7.008,1397 3.208,1398 0.251,1399 86.948,1400 0.215,1401 28.348,1402 0.393,1403 152,1404 344.671,1405 161.042,1406 340.91,1407 476.83,1408 322,1409 178,1410 357.087,1411 187.848,1412 364.406,1413 532.91,1414 345,1415 8.367}
{0 CHEMBL555214,1 1.37,2 15.738,3 9.983,4 99.656,5 178.109,6 7.313,7 0.458,8 4.486,9 4.611,10 4.054,11 4.118,12 5.401,13 4.054,14 5.091,15 5.272,16 4.465,17 4.58,18 5.949,19 4.485,20 5.434,21 5.667,22 4.581,23 4.766,24 6.238,25 4.639,26 5.476,27 5.727,28 4.556,29 4.744,30 6.275,31 4.612,32 5.455,33 5.698,34 4.472,35 4.753,36 6.215,37 4.608,38 5.521,39 5.779,40 4.468,41 4.78,42 6.235,43 4.601,44 5.537,45 5.811,46 4.347,47 4.741,48 6.225,49 4.53,50 5.439,51 5.72,52 4.221,53 4.615,54 6.12,55 4.386,56 0.074,57 1.142,58 17.772,59 7.94,60 9.44,61 11.133,62 0.169,63 2.002,64 35.487,65 14.758,66 22.857,67 20.798,68 0.353,69 2.701,70 56.524,71 20.644,72 41.84,73 29.21,74 0.539,75 2.836,76 58.741,77 20.65,78 51.938,79 29.677,80 0.413,81 2.798,82 54.354,83 20.157,84 39.704,85 28.956,86 0.419,87 2.825,88 60.938,89 23.594,90 42.241,91 33.507,92 0.466,93 2.759,94 68.462,95 24.631,96 47.29,97 34.435,98 0.417,99 2.391,100 67.519,101 23.217,102 45.502,103 32.05,104 10,105 69,106 0.206,107 0.516,108 0.701,109 0.812,110 0.831,111 0.845,112 3.765,113 1.042,114 -7.37,115 -7.16,116 -6.61,121 43.9,122 1,123 11,124 2,127 2,137 1,138 1,144 6,145 4,146 4,148 4,176 20,180 8,185 6,187 31,192 6,197 6,200 20,206 8,209 2,211 11,214 24,219 1,224 5,227 22,232 3,237 4,239 35,244 2,248 1,251 30,256 2,264 27,269 2,274 4,277 17,281 3472,282 28.963,283 28.963,284 28.963,285 28.963,286 28.963,287 26.078,288 31.608,289 17.187,290 29.459,291 23.822,292 23.822,293 23.822,294 23.822,295 23.822,296 19.25,297 33.857,298 8.309,299 24.736,300 4.988,301 2.932,302 1.702,303 0.96,304 0.838,305 0.741,306 4.493,308 2,313 1505,314 3.937,318 648.467,320 118.03,322 635.645,324 182.43,325 1.921,326 24.728,329 0.5,330 0.5,331 0.5,332 0.6,333 0.5,334 0.67,335 1,336 0.61,337 86.667,338 661,339 4.686,340 3.508,341 6.986,342 4.303,343 3.319,344 4.594,345 0.68,346 11.934,347 3.265,348 4.651,349 3.373,350 6.833,351 4.214,352 3.235,353 4.582,354 0.4,355 11.364,356 3.165,357 4.143,358 3.064,359 6.24,360 3.826,361 2.84,362 3.624,363 0.4,364 9.32,365 2.801,366 3.99,367 2.943,368 6.004,369 3.58,370 2.61,371 3.534,373 8.477,374 2.532,375 3.814,376 2.858,377 5.569,378 3.416,379 2.452,380 3.131,382 7.471,383 2.369,384 3.584,385 2.562,386 5.427,387 3.202,388 2.252,389 2.961,391 6.886,392 2.167,393 3.568,394 2.547,395 5.39,396 3.192,397 2.229,398 2.925,400 6.847,401 2.103,402 3.406,403 2.457,404 5.126,405 3.015,406 2.084,407 2.725,409 6.137,410 1.925,411 3.365,412 2.272,413 4.899,414 2.895,415 1.986,416 2.699,418 5.573,419 1.817,420 3.012,421 2.145,422 4.836,423 2.862,424 1.906,425 2.045,427 5.357,428 1.773,429 2.912,430 1.961,431 4.666,432 2.803,433 1.82,434 1.928,436 4.874,437 1.703,438 2.856,439 1.849,440 4.121,441 2.643,442 1.671,443 1.88,445 3.797,446 1.58,447 2.69,448 1.64,449 4.049,450 2.47,451 1.495,452 1.739,454 3.436,455 1.452,456 2.6,457 1.455,458 3.972,459 2.412,460 1.422,461 1.623,463 3.34,464 1.403,465 2.491,466 1.433,467 3.811,468 2.249,469 1.257,470 1.49,472 3.119,473 1.246,474 21.029,475 0.501,476 0.986,477 0.023,478 48.5,479 1.155,480 22,481 0.524,482 26.5,483 0.631,484 51.902,485 1.236,486 44.371,487 0.541,488 33.677,489 0.802,490 7.986,491 0.19,492 12.544,493 0.299,494 0.092,496 0.357,501 0.723,502 1.157,503 0.673,504 0.928,505 0.648,506 0.921,507 0.739,508 1.187,509 0.715,510 0.975,511 0.564,512 0.973,513 0.967,514 1.113,515 0.857,516 0.963,517 0.893,518 0.95,519 0.898,520 1.044,521 0.776,522 0.922,523 0.768,524 0.934,525 1.069,526 1.029,527 0.819,528 0.948,529 0.931,530 1.028,531 0.623,532 1.053,533 0.777,534 1.031,535 0.673,536 1.063,537 0.95,538 0.942,539 1.038,540 1.042,541 1.04,542 1.073,543 1.041,544 0.942,545 1.201,546 1.081,547 1.135,548 1.063,549 7.5,550 0.128,551 3.778,552 3.438,553 2.893,554 1.431,555 0.986,556 0.665,557 0.369,558 0.251,559 36418,560 79075,561 2.2,562 48.8,563 19,564 11,567 2,568 4,569 4,572 1.807,573 2.1,574 3.811,575 0.031,582 112.325,583 1.37,584 3.426,585 4.656,586 5.397,587 5.519,588 5.617,589 3.019,590 5.154,591 5.374,592 4.087,593 3519.05,594 9.464,595 67706.7,600 521.319,601 1.264,602 5.342,603 0.156,604 0.004,605 0.055,606 0.046,607 0.041,608 0.022,609 0.016,610 0.013,611 0.009,612 0.007,613 0.369,614 0.33,615 0.63,616 0.4,617 244.361,618 -0.01,619 -0.002,620 0.033,621 0.041,622 0.036,623 0.055,624 0.019,625 -0.097,626 0.041,627 -0.01,628 0.158,629 0.004,630 -0.019,631 -0.071,632 0.012,633 -0.003,634 0.014,635 0.02,636 0.098,637 0.014,638 0.038,639 0.009,640 0.111,641 0.017,642 -0.156,643 0.045,644 -0.073,645 -0.024,646 -0.148,647 -0.08,648 0.078,649 -0.071,650 0.017,651 -0.062,652 0.034,653 -0.074,654 -0.058,655 0.006,656 -0.065,657 -0.049,658 -0.12,659 -0.076,660 -0.054,661 -0.042,662 -0.064,663 -0.052,664 -0.08,665 -0.046,666 0.913,667 2.271,668 0.738,669 45.492,670 0.986,671 1.119,672 6.143,673 37.738,674 0.685,675 3.892,676 4.248,677 4.575,678 4.942,679 5.273,680 5.451,681 5.624,682 5.811,683 5.886,684 5.908,685 9.724,686 0.631,687 599.7,688 3.892,689 5.46,690 6.337,691 7.245,692 8.144,693 9.062,694 9.971,695 10.894,696 11.808,697 12.734,698 4.9,703 2,708 2,714 4,715 6,716 2,720 8,722 22,734 2,740 2,741 82,743 23,744 2,745 48,747 88,748 36,749 18,750 6,751 6,756 7,757 16,758 2,763 1,767 7,768 2,770 11,772 20,773 16,774 2,777 1,784 1,786 1,793 40,794 4,795 2,796 6,797 2,802 4,808 0.286,822 2,829 7,831 1,833 4,835 1,849 1,850 1,859 2,864 1,865 2,868 42,876 13,877 2,880 2,892 2,901 20,902 14.936,903 9,904 5.73,907 5.081,908 1.524,909 1.032,910 8.248,911 14.771,912 4.111,913 4.754,914 5.389,915 6.052,916 6.697,917 7.113,918 7.528,919 7.957,920 8.287,921 8.358,922 0.9,923 75,924 15.63,926 6.801,927 0.026,929 7.382,931 31.479,933 27.818,936 1.882,937 79.056,941 447.302,942 144.269,943 69.593,944 78.297,948 144.269,949 525.599,950 69.593,951 8.825,952 32.091,953 66.334,954 69.593,955 37.019,957 447.302,958 78.297,959 447.302,960 213.862,962 78.297,964 400.217,965 47.084,968 50.718,969 84.075,970 157.366,972 447.302,973 69.593,974 222.567,977 447.302,978 69.11,979 75.159,980 36.022,981 111.868,982 447.302,983 69.593,984 222.567,986 0.583,987 0.34,988 0.203,989 0.123,990 36,991 15,992 0.102,993 9,994 6,995 1.355,996 5.233,997 445.29,998 0.387,999 30,1000 224.477,1005 28.287,1006 12.247,1007 5.874,1008 4.443,1009 69.593,1010 12.317,1011 10.093,1015 9.522,1017 36.022,1018 739.461,1019 60,1026 2.479,1028 1.529,1031 80.843,1032 91.77,1034 0.215,1035 0.539,1036 0.732,1037 0.849,1038 0.868,1039 0.883,1040 5.382,1041 2.084,1042 6.326,1043 6.847,1044 4.934,1045 5.442,1046 0.942,1047 7.179,1048 4.867,1049 6.592,1050 1.986,1051 7.899,1052 6.137,1053 4.511,1054 5.366,1056 8.129,1057 4.385,1058 7.917,1059 1.906,1060 9.574,1061 5.573,1062 6.555,1063 7.712,1064 0.425,1065 11.302,1066 6.444,1067 9.278,1068 1.82,1069 11.312,1070 5.357,1071 6.957,1072 8.481,1074 13.12,1075 6.812,1076 10.675,1077 1.671,1078 13.091,1079 4.874,1080 8.469,1081 10.324,1082 0.194,1083 15.817,1084 8.327,1085 12.097,1086 1.495,1087 14.901,1088 3.797,1089 9.282,1090 11.492,1092 18.007,1093 9.118,1094 13.541,1095 1.422,1096 16.733,1097 3.436,1098 10.579,1099 13.138,1100 0.09,1101 20.543,1102 10.41,1103 3.319,1104 1.257,1105 18.583,1106 3.34,1107 11.591,1108 14.496,1110 22.889,1111 11.405,1112 3.235,1113 11.934,1114 20.446,1115 3.119,1116 12.806,1117 16.064,1118 0.042,1119 25.371,1120 12.609,1121 2.84,1122 11.364,1123 22.322,1124 4.594,1125 13.911,1126 17.511,1128 27.783,1129 13.697,1130 2.61,1131 9.32,1132 24.206,1133 4.582,1134 15.098,1135 19.048,1136 0.019,1137 30.249,1138 14.87,1139 2.452,1140 8.477,1141 26.098,1142 3.624,1143 16.245,1144 20.535,1146 32.688,1147 16,1148 2.252,1149 7.471,1150 27.997,1151 3.534,1152 17.425,1153 22.062,1154 0.009,1155 35.15,1156 17.164,1157 2.229,1158 6.886,1159 29.901,1160 3.131,1161 18.592,1162 23.568,1164 37.602,1165 18.313,1166 32576,1167 48245,1168 33.115,1169 56.205,1170 72.18,1171 73.06,1172 73.943,1173 72.239,1174 71.87,1175 90.567,1176 2.96,1177 212.058,1178 69.055,1179 5.647,1180 5.508,1181 6.873,1182 5.345,1183 5.319,1184 7.594,1185 1.36,1186 19.51,1187 5.265,1188 16.28,1189 1.504,1190 1.522,1191 1.54,1192 1.505,1193 1.497,1194 1.887,1195 0.062,1196 4.418,1197 1.439,1198 4.157,1199 4.187,1200 4.156,1201 4.088,1202 5.055,1203 4.09,1204 4.098,1205 4.125,1206 4.11,1207 4.032,1208 5.021,1209 4.035,1210 3.874,1211 3.908,1212 3.866,1213 3.813,1214 4.698,1215 3.802,1216 3.751,1217 3.816,1218 3.778,1219 3.663,1220 4.684,1221 3.648,1222 3.734,1223 3.78,1224 3.616,1225 3.615,1226 4.431,1227 3.598,1228 3.53,1229 3.603,1230 3.554,1231 3.404,1232 4.282,1233 3.397,1234 3.449,1235 3.503,1236 3.416,1237 3.312,1238 4.211,1239 3.304,1240 3.301,1241 3.368,1242 3.291,1243 3.174,1244 4.15,1245 3.162,1246 0.098,1247 0.073,1248 0.146,1249 0.09,1250 0.069,1251 4.686,1252 0.096,1253 3.508,1254 0.014,1255 6.986,1256 0.249,1257 4.303,1258 0.068,1259 3.319,1260 4.594,1261 0.68,1262 11.934,1263 3.265,1264 2.098,1265 2.073,1266 2.188,1267 2.182,1268 1.536,1269 2.186,1270 2.07,1271 2.047,1272 2.149,1273 2.158,1274 1.437,1275 2.159,1276 1.881,1277 1.851,1278 2.02,1279 1.973,1280 1.365,1281 1.993,1282 1.759,1283 1.71,1284 1.987,1285 1.923,1286 1.188,1287 1.953,1288 1.75,1289 1.694,1290 1.925,1291 1.863,1292 1.15,1293 1.891,1294 1.516,1295 1.456,1296 1.769,1297 1.724,1298 1.052,1299 1.744,1300 1.451,1301 1.392,1302 1.69,1303 1.601,1304 0.918,1305 1.634,1306 1.287,1307 1.231,1308 1.509,1309 1.481,1310 0.777,1311 1.498,1312 4.575,1314 5.922,1316 7.476,1318 9.142,1320 10.872,1322 2.294,1323 12.684,1328 14.801,1329 7.707,1332 1.186,1340 51.75,1341 112.325,1342 280.926,1343 381.752,1344 442.564,1345 452.564,1346 460.564,1347 63.802,1348 9.69,1349 49.84,1350 49.84,1351 42,1352 13.241,1353 4.585,1354 3.7,1355 56.653,1356 258,1357 202,1358 0.105,1359 315.983,1360 546.62,1361 762.757,1362 340388,1363 2.4,1364 28.631,1365 0.682,1366 0.62,1367 29.631,1368 26.051,1369 20.53,1370 0.428,1371 0.347,1372 15.903,1373 19.654,1374 15.458,1375 12.724,1376 21.107,1377 16.669,1378 18.902,1379 0.274,1380 0.196,1381 19.719,1382 13.544,1383 16.056,1384 0.167,1385 0.104,1386 16.581,1387 10.007,1388 14.721,1389 0.106,1390 0.058,1391 15.19,1392 8.04,1393 12.838,1394 0.066,1395 0.032,1396 13.301,1397 6.208,1398 0.172,1399 131.256,1400 0.174,1401 37.85,1402 0.27,1403 234,1404 490.363,1405 272.588,1406 553.59,1407 770.03,1408 522,1409 282,1410 545.74,1411 310.177,1412 579.088,1413 860.66,1414 551,1415 9.347}
{0 CHEMBL555247,1 1.419,2 20.635,3 4.827,4 23.295,5 256.213,6 6.15,7 0.258,8 5.022,9 5.171,10 4.407,11 4.462,12 5.926,13 4.403,14 5.642,15 5.872,16 4.754,17 4.871,18 6.455,19 4.783,20 5.964,21 6.219,22 4.926,23 5.128,24 6.76,25 5.012,26 6.119,27 6.368,28 4.93,29 5.245,30 6.949,31 5.086,32 6.275,33 6.584,34 4.852,35 5.198,36 7.029,37 5.015,38 6.079,39 6.366,40 4.867,41 5.066,42 6.888,43 4.938,44 5.869,45 6.065,46 4.969,47 5.107,48 6.841,49 5.012,50 6.063,51 6.278,52 5.002,53 5.225,54 6.979,55 5.107,56 0.18,57 2.015,58 37.162,59 13.71,60 19.997,61 20.339,62 0.709,63 3.174,64 68.796,65 21.549,66 53.183,67 33.444,68 1.272,69 4.061,70 95.012,71 29.995,72 80.809,73 45.668,74 1.114,75 4.594,76 108.38,77 37.145,78 111.868,79 55.353,80 1.632,81 4.564,82 124.01,83 38.206,84 156.53,85 58.261,86 1.711,87 3.86,88 105.593,89 30.883,90 132.456,91 46.699,92 1.204,93 3.784,94 90.277,95 29.885,96 106.253,97 42.977,98 1.344,99 4.335,100 108.214,101 35.133,102 121.698,103 50.715,104 262,105 90,106 0.194,107 0.415,108 0.607,109 0.669,110 0.682,111 0.692,112 4.16,113 1.151,114 -2.29,115 -2.33,116 -2.29,121 34.2,122 9,123 8,127 16,144 5,145 3,146 5,148 2,160 2,173 1,176 10,180 10,183 2,185 5,187 13,189 9,191 1,192 9,194 3,195 1,197 8,200 8,205 2,206 7,209 2,211 10,214 17,218 2,219 13,222 2,224 8,227 10,229 4,231 1,232 4,234 2,235 1,237 3,239 13,241 4,243 1,244 8,246 3,247 1,248 1,249 1,250 1,251 26,253 1,256 11,258 3,260 1,263 1,264 24,268 1,269 15,271 1,272 1,274 4,276 1,277 12,279 1,280 1,281 14103,282 42.905,283 42.905,284 42.905,285 42.905,286 42.905,287 40.621,288 58.442,289 24.43,290 44.356,291 31.598,292 31.598,293 31.598,294 31.598,295 31.598,296 27.754,297 60.255,298 10.561,299 33.555,300 5.771,301 4.151,302 2.747,303 2.297,304 2.199,305 2.129,306 4.846,308 1,313 2689,314 7.416,318 869.489,322 692.186,325 2.758,326 60.629,329 0.5,330 0.33,331 0.17,332 0.7,333 1,334 0.5,335 0.5,336 0.53,337 134.833,338 1300,339 4.651,340 3.683,341 7.172,342 4.221,343 3.312,344 4.582,345 1.886,346 12.409,347 3.168,348 4.461,349 3.681,350 7.172,351 4.22,352 3.311,353 4.139,354 1.2,355 12.409,356 3.022,357 4.311,358 3.68,359 7.172,360 4.219,361 3.311,362 3.534,363 1.2,364 12.409,365 3.008,366 4.311,367 3.614,368 6.833,369 4.215,370 3.236,371 3.326,372 1.2,373 11.365,374 3.007,375 4.309,376 3.572,377 6.537,378 4.069,379 3.099,380 3.311,381 1.058,382 10.329,383 2.996,384 3.99,385 3.362,386 6.023,387 3.58,388 2.615,389 3.31,390 0.86,391 8.573,392 2.532,393 3.92,394 3.208,395 6.004,396 3.565,397 2.611,398 3.281,399 0.86,400 8.477,401 2.47,402 3.677,403 2.943,404 5.433,405 3.402,406 2.397,407 2.974,408 0.86,409 6.915,410 2.401,411 3.553,412 2.767,413 5.105,414 3.152,415 2.202,416 2.813,418 6.049,419 2.072,420 3.383,421 2.549,422 5.026,423 3.036,424 2.1,425 2.687,427 5.979,428 1.948,429 3.358,430 2.347,431 4.896,432 2.874,433 1.967,434 2.584,436 5.562,437 1.709,438 2.964,439 2.24,440 4.501,441 2.731,442 1.777,443 2.05,445 4.548,446 1.7,447 2.728,448 1.866,449 4.12,450 2.58,451 1.648,452 1.735,454 3.539,455 1.513,456 2.658,457 1.796,458 3.946,459 2.433,460 1.443,461 1.696,463 3.397,464 1.42,465 2.49,466 1.559,467 3.887,468 2.263,469 1.331,470 1.489,472 3.162,473 1.246,474 30.181,475 0.479,476 1.329,477 0.021,478 60.75,479 0.964,480 21,481 0.333,482 39.75,483 0.631,484 102.12,485 1.621,486 76.319,487 0.523,488 58.458,489 0.928,490 10.893,491 0.173,492 19.536,493 0.31,494 0.195,495 0.04,496 0.199,501 0.84,502 1.692,503 0.936,504 1.396,505 0.652,506 1.264,507 1.127,508 1.209,509 0.918,510 1.009,511 0.595,512 0.987,513 1.127,514 0.944,515 0.957,516 0.892,517 0.842,518 0.913,519 0.856,520 1.325,521 1.009,522 1.305,523 0.929,524 1.252,525 1.093,526 0.889,527 0.771,528 0.843,529 0.927,530 0.836,531 1.58,532 0.711,533 0.81,534 0.644,535 1.307,536 0.684,537 1.505,538 1.182,539 1.191,540 1.203,541 1.842,542 1.173,543 1.656,544 1.195,545 1.261,546 1.23,547 1.799,548 1.208,549 14.5,550 0.595,551 7.778,552 4.625,553 2.916,554 2.111,555 1.829,556 1.25,557 1.302,558 0.843,559 91792,560 176958,561 1.957,562 56.8,563 10,564 37,567 3,568 4,569 29,572 1.907,573 1.813,574 4.177,575 0.547,582 207.132,583 1.419,584 3.039,585 4.443,586 4.893,587 4.991,588 5.061,589 3.465,590 5.397,591 5.951,592 4.522,593 8830.98,594 10.681,595 232448,600 1049.71,601 1.582,602 5.885,603 0.22,604 0.006,605 0.086,606 0.044,607 0.03,608 0.024,609 0.019,610 0.012,611 0.012,612 0.008,613 0.46,614 0.33,615 0.5,616 1.788,617 410.69,618 0.039,619 -0.264,620 0.051,621 -0.131,622 -0.009,623 -0.05,624 -0.02,626 0.067,627 0.048,628 0.099,629 0.065,630 0.013,631 0.167,632 0.044,633 0.128,634 0.061,635 0.105,636 0.089,637 -0.236,638 -0.079,639 -0.237,640 0.031,641 -0.197,642 0.062,643 0.005,644 0.122,645 0.068,646 0.032,647 0.096,648 -0.03,649 0.208,650 0.166,651 0.271,652 -0.021,653 0.243,654 -0.003,655 -0.005,656 -0.074,657 -0.069,658 -0.09,659 -0.083,660 -0.111,661 -0.086,662 -0.16,663 -0.138,664 -0.174,665 -0.152,666 1.876,667 7.085,668 0.317,669 114.98,670 0.988,671 1.14,672 -7.059,673 49.837,674 0.613,675 4.205,676 4.511,677 4.779,678 4.913,679 5.094,680 5.252,681 5.425,682 5.557,683 5.677,684 5.677,685 12.795,686 0.561,687 897.85,688 4.205,689 5.746,690 6.592,691 7.461,692 8.322,693 9.199,694 10.068,695 10.949,696 11.824,697 12.709,698 4.8,703 1,705 2,708 1,712 3,714 2,715 5,716 1,720 8,722 17,729 1,739 3,740 1,741 146,743 19,744 2,745 66,747 149,748 50,749 15,750 7,751 5,752 1,756 4,757 7,758 1,763 9,767 4,770 8,772 17,773 33,777 2,782 2,786 2,793 83,794 9,795 3,796 13,797 1,802 7,803 3,806 1,807 3,808 0.5,809 5,822 1,829 4,833 2,859 2,864 9,865 1,868 63,876 24,877 3,878 3,883 3,892 1,893 3.4,896 2,898 3,901 34.75,902 28.343,903 14.944,904 11.059,907 3.441,908 1.378,909 0.907,910 22.051,911 12.55,912 4.35,913 4.852,914 5.362,915 5.844,916 6.394,917 6.752,918 7.101,919 7.412,920 7.704,921 7.682,922 0.923,923 106,924 23.589,926 9.595,927 0.026,929 7.526,931 46.567,933 37.641,936 2.026,937 127.611,941 941.688,942 233.478,943 70.573,944 39.149,945 83.29,948 233.478,949 1064.13,950 70.573,951 79.427,952 97.327,953 47.381,954 94.373,955 68.832,957 941.688,958 39.149,959 941.688,960 304.05,961 83.29,962 39.149,964 600.326,965 424.651,968 181.654,969 87.722,970 73.822,972 941.688,973 153.862,974 272.626,977 941.688,978 106.67,979 126.808,980 53.787,981 139.224,982 941.688,983 153.862,984 272.626,986 0.569,987 0.36,988 0.172,989 0.077,990 33,991 18,992 0.201,993 30,994 2,995 1.2,996 6.393,997 693.416,998 0.2,999 20,1000 346.039,1005 52.764,1006 26.329,1007 14.566,1008 1.783,1009 153.862,1010 9.424,1011 4.885,1015 5.941,1017 53.787,1018 1368.18,1019 76.5,1024 27.112,1028 -0.285,1031 144.191,1032 166.464,1034 0.197,1035 0.423,1036 0.618,1037 0.681,1038 0.694,1039 0.704,1040 5.614,1041 2.397,1042 6.608,1043 8.477,1044 5.198,1045 5.541,1046 2.953,1047 7.473,1048 5.086,1049 6.804,1050 2.202,1051 8.22,1052 6.915,1053 4.977,1054 5.503,1055 2.254,1056 8.882,1057 4.766,1058 8.136,1059 2.1,1060 9.948,1061 6.049,1062 6.921,1063 7.695,1064 3.389,1065 11.827,1066 6.686,1067 9.507,1068 1.967,1069 11.749,1070 5.979,1071 7.555,1072 8.475,1073 3.298,1074 13.999,1075 7.22,1076 10.912,1077 1.777,1078 13.597,1079 5.562,1080 8.978,1081 10.202,1082 4.21,1083 16.592,1084 8.607,1085 12.337,1086 1.648,1087 15.476,1088 4.548,1089 9.947,1090 11.334,1091 4.462,1092 18.989,1093 9.482,1094 13.777,1095 1.443,1096 17.375,1097 3.539,1098 11.204,1099 12.907,1100 5.26,1101 21.507,1102 10.689,1103 3.312,1104 1.331,1105 19.289,1106 3.397,1107 12.303,1108 14.216,1109 5.701,1110 23.973,1111 11.703,1112 3.311,1113 12.409,1114 21.213,1115 3.162,1116 13.507,1117 15.735,1118 6.429,1119 26.476,1120 12.848,1121 3.311,1122 12.409,1123 23.144,1124 4.582,1125 14.657,1126 17.136,1127 6.966,1128 28.967,1129 13.919,1130 3.236,1131 12.409,1132 25.081,1133 4.139,1134 15.846,1135 18.639,1136 7.653,1137 31.47,1138 15.043,1139 3.099,1140 11.365,1141 27.022,1142 3.534,1143 17.016,1144 20.09,1145 8.237,1146 33.97,1147 16.139,1148 2.615,1149 10.329,1150 28.967,1151 3.326,1152 18.202,1153 21.589,1154 8.901,1155 36.476,1156 17.257,1157 2.611,1158 8.573,1159 30.915,1160 3.311,1161 19.381,1162 23.068,1163 9.509,1164 38.982,1165 18.365,1166 89860,1167 125935,1168 42.296,1169 89.484,1170 93.704,1171 96.644,1172 106.207,1173 94.418,1174 94.058,1175 109.569,1176 18.248,1177 271.977,1178 88.944,1179 5.621,1180 5.683,1181 6.999,1182 5.316,1183 5.312,1184 7.582,1185 3.272,1186 19.947,1187 5.168,1188 41.947,1189 1.42,1190 1.464,1191 1.609,1192 1.431,1193 1.425,1194 1.66,1195 0.276,1196 4.121,1197 1.348,1198 4.129,1199 4.162,1200 4.132,1201 4.05,1202 7.431,1203 4.054,1204 4.01,1205 4.052,1206 3.957,1207 3.878,1208 7.427,1209 3.893,1210 3.889,1211 3.968,1212 3.784,1213 3.703,1214 5.043,1215 3.71,1216 3.887,1217 3.966,1218 3.77,1219 3.675,1220 4.928,1221 3.686,1222 3.874,1223 3.917,1224 3.766,1225 3.673,1226 4.689,1227 3.684,1228 3.766,1229 3.821,1230 3.764,1231 3.66,1232 4.567,1233 3.646,1234 3.736,1235 3.78,1236 3.636,1237 3.617,1238 4.467,1239 3.608,1240 3.568,1241 3.629,1242 3.477,1243 3.335,1244 4.396,1245 3.356,1246 0.07,1247 0.056,1248 0.109,1249 0.064,1250 0.05,1251 4.651,1252 0.069,1253 3.683,1254 0.029,1255 7.172,1256 0.188,1257 4.221,1258 0.048,1259 3.312,1260 4.582,1261 1.886,1262 12.409,1263 3.168,1264 2.067,1265 2.044,1266 2.144,1267 2.157,1268 1.432,1269 2.155,1270 1.906,1271 1.892,1272 2.07,1273 2.097,1274 1.415,1275 2.092,1276 1.842,1277 1.766,1278 2.064,1279 2.08,1280 1.413,1281 2.081,1282 1.841,1283 1.764,1284 2.063,1285 2.079,1286 1.413,1287 2.08,1288 1.822,1289 1.752,1290 2.004,1291 1.998,1292 1.34,1293 1.991,1294 1.752,1295 1.709,1296 1.934,1297 1.926,1298 1.145,1299 1.938,1300 1.75,1301 1.694,1302 1.925,1303 1.863,1304 1.092,1305 1.892,1306 1.49,1307 1.431,1308 1.725,1309 1.754,1310 0.975,1311 1.74,1312 4.89,1314 6.201,1316 7.722,1318 9.334,1320 10.993,1322 20.11,1323 6.298,1328 20.458,1329 9.341,1330 19.68,1335 2.865,1340 81.833,1341 207.132,1342 443.646,1343 648.612,1344 714.421,1345 728.686,1346 738.95,1347 237.521,1348 9.11,1349 110.81,1350 110.81,1351 24,1352 13.244,1353 4.322,1354 3.524,1355 152.218,1356 467,1357 500,1358 0.144,1359 511.805,1360 905.14,1361 1240.56,1362 170508,1363 0.7,1364 45.884,1365 0.728,1366 0.658,1367 46.384,1368 41.48,1369 30.429,1370 0.461,1371 0.384,1372 24.628,1373 28.853,1374 23.866,1375 20.027,1376 30.717,1377 25.314,1378 25.376,1379 0.282,1380 0.208,1381 25.784,1382 18.729,1383 22.855,1384 0.194,1385 0.134,1386 23.118,1387 15.864,1388 17.017,1389 0.126,1390 0.073,1391 17.252,1392 9.824,1393 11.984,1394 0.074,1395 0.03,1396 12.215,1397 4.86,1398 0.233,1399 193.519,1400 0.154,1401 52.03,1402 0.374,1403 312,1404 746.523,1405 358.119,1406 735.683,1407 1002.58,1408 692,1409 364,1410 723.353,1411 407.109,1412 728.853,1413 1072.31,1414 691,1415 8.184}
{0 CHEMBL555300,1 1.354,2 22.917,3 7.314,4 53.499,5 202.158,6 6.121,7 0.24,8 4.714,9 4.854,10 4.09,11 4.197,12 5.678,13 4.136,14 5.294,15 5.514,16 4.372,17 4.564,18 6.153,19 4.47,20 5.565,21 5.819,22 4.52,23 4.752,24 6.407,25 4.636,26 5.686,27 5.929,28 4.53,29 4.866,30 6.52,31 4.719,32 5.855,33 6.136,34 4.47,35 4.937,36 6.632,37 4.749,38 5.866,39 6.162,40 4.356,41 4.893,42 6.585,43 4.688,44 5.773,45 6.072,46 4.232,47 4.792,48 6.484,49 4.58,50 5.663,51 5.965,52 4.126,53 4.678,54 6.362,55 4.461,56 0.12,57 1.469,58 26.549,59 10.584,60 18.855,61 15.177,62 0.393,63 2.316,64 46.963,65 16.211,66 41.096,67 24.392,68 0.626,69 2.868,70 60.921,71 20.699,72 67.609,73 31.401,74 0.752,75 3.185,76 68.529,77 24.718,78 73.987,79 36.532,80 0.817,81 3.521,82 79.573,83 28.776,84 101.975,85 42.659,86 0.779,87 3.424,88 79.979,89 28.265,90 88.223,91 42.179,92 0.772,93 3.092,94 72.817,95 26.091,96 81.024,97 38.536,98 0.564,99 2.771,100 64.701,101 23.394,102 67.91,103 34.869,104 81,105 64,106 0.196,107 0.465,108 0.669,109 0.768,110 0.796,111 0.811,112 3.894,113 1.082,114 -4.72,115 -4.64,116 -4.36,121 37,122 4,123 8,126 2,127 6,129 2,137 2,140 2,144 8,145 2,146 2,158 2,176 14,180 15,185 3,187 14,191 1,192 11,196 1,197 3,200 9,205 2,206 11,209 2,211 1,214 16,219 6,222 2,224 2,227 16,232 6,237 2,239 20,243 1,244 5,247 1,249 3,251 20,256 5,261 3,264 10,269 9,274 5,277 7,281 6468,282 32.794,283 32.794,284 32.794,285 32.794,286 32.794,287 30.56,288 42.795,289 19.986,290 33.567,291 24.376,292 24.376,293 24.376,294 24.376,295 24.376,296 20.865,297 57.177,298 9.091,299 25.339,300 5.401,301 3.545,302 2.134,303 1.452,304 1.26,305 1.153,306 4.576,312 1,313 2272,314 5.831,318 652.709,325 4.181,326 38.01,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 102,338 1100,339 4.381,340 3.581,341 6.606,342 4.032,343 3.068,344 3.867,345 0.916,346 10.415,347 2.957,348 4.314,349 3.399,350 6.606,351 4.032,352 3.068,353 3.867,354 0.916,355 10.415,356 2.957,357 4.314,358 3.399,359 6.25,360 3.974,361 2.988,362 3.846,363 0.86,364 9.366,365 2.947,366 3.773,367 2.889,368 5.741,369 3.403,370 2.47,371 3.014,372 0.86,373 7.583,374 2.34,375 3.603,376 2.802,377 5.71,378 3.402,379 2.47,380 2.691,381 0.6,382 7.539,383 2.299,384 3.603,385 2.802,386 5.71,387 3.391,388 2.422,389 2.691,390 0.4,391 7.539,392 2.298,393 3.266,394 2.437,395 4.592,396 2.846,397 1.854,398 2.385,399 0.172,400 4.72,401 1.835,402 2.923,403 2.059,404 4.592,405 2.835,406 1.849,407 2.088,408 0.172,409 4.448,410 1.822,411 2.917,412 2.055,413 4.559,414 2.696,415 1.714,416 2.088,418 4.447,419 1.677,420 2.917,421 1.944,422 3.934,423 2.592,424 1.636,425 1.994,427 3.711,428 1.562,429 2.908,430 1.772,431 3.851,432 2.552,433 1.59,434 1.99,436 3.583,437 1.526,438 2.826,439 1.662,440 3.752,441 2.458,442 1.484,443 1.84,445 3.131,446 1.436,447 2.756,448 1.576,449 3.699,450 2.455,451 1.476,452 1.765,454 3.098,455 1.436,456 2.575,457 1.56,458 3.638,459 2.33,460 1.362,461 1.507,463 2.954,464 1.314,465 2.324,466 1.313,467 3.52,468 2.213,469 1.229,470 1.301,472 2.627,473 1.208,474 22.933,475 0.478,476 0.836,477 0.017,478 48,479 1,480 19,481 0.396,482 29,483 0.604,484 61.591,485 1.283,486 56.267,487 0.521,488 40.044,489 0.834,490 9.119,491 0.19,492 14.217,493 0.296,494 0.16,496 0.253,501 0.882,502 1.51,503 1.021,504 1.331,505 0.783,506 1.21,507 1.153,508 1.203,509 1.043,510 1.069,511 0.68,512 1.037,513 0.971,514 1.024,515 0.948,516 0.957,517 0.735,518 0.939,519 0.926,520 1.189,521 1.117,522 1.188,523 0.833,524 1.175,525 0.87,526 1.045,527 1.039,528 1.072,529 0.838,530 1.075,531 1.001,532 0.953,533 1.034,534 0.991,535 1.049,536 1.013,537 0.996,538 0.904,539 1.033,540 0.975,541 1.062,542 1.008,543 0.83,544 1.014,545 0.969,546 1.024,547 1.065,548 1.018,549 7,550 0.231,551 5.333,552 3.5,553 2.649,554 1.278,555 0.811,556 0.51,557 0.304,558 0.242,559 55220,560 115166,561 1.972,562 55.6,563 8,564 30,567 2,569 20,572 1.833,573 1.846,574 4.384,575 0.023,582 146.237,583 1.354,584 3.209,585 4.621,586 5.303,587 5.495,588 5.602,589 3.772,590 4.387,591 5.559,592 4.704,593 5306.14,594 9.812,595 128285,600 729.528,601 1.384,602 5.513,603 0.14,604 0.005,605 0.083,606 0.048,607 0.038,608 0.02,609 0.014,610 0.01,611 0.007,612 0.006,613 0.372,614 0.17,615 0.75,616 0.846,617 301.548,618 0.003,619 -0.183,620 0.043,621 -0.08,622 -0.022,623 -0.025,624 -0.08,625 -0.034,626 0.006,627 0.002,628 0.046,629 0.014,630 0.026,631 0.073,632 0.074,633 0.059,634 0.12,635 0.074,636 0.049,637 -0.105,638 -0.105,639 -0.135,640 0.028,641 -0.139,642 0.009,643 -0.055,644 -0.063,645 -0.07,646 0.034,647 -0.074,648 -0.076,649 -0.002,650 -0.063,651 -0.022,652 -0.09,653 -0.037,654 -0.058,655 0.034,656 -0.064,657 -0.008,658 -0.092,659 -0.034,660 -0.019,661 -0.084,662 -0.017,663 -0.049,664 -0.076,665 -0.037,666 1.817,667 5.685,668 0.375,669 92.917,670 0.986,671 1.134,672 3.493,673 12.204,674 0.622,675 3.932,676 4.174,677 4.419,678 4.575,679 4.691,680 4.595,681 4.533,682 4.466,683 4.443,684 4.419,685 13.872,686 0.571,687 661.04,688 3.932,689 5.434,690 6.256,691 7.094,692 7.933,693 8.778,694 9.624,695 10.472,696 11.321,697 12.171,698 3.7,700 1,701 2,707 1,715 8,720 4,722 12,739 2,741 108,743 16,744 2,745 50,747 110,748 40,749 12,750 4,751 8,752 6,756 3,757 3,763 4,770 10,772 18,773 22,777 4,782 1,784 2,785 1,786 4,793 60,794 8,795 2,796 8,802 4,808 1,809 4,829 3,839 1,841 1,849 4,853 1,855 2,857 1,859 3,864 6,868 48,875 1,876 14,877 1,878 2,880 2,881 2,893 3.7,895 1,896 1,898 2,901 26,902 20.55,903 11.389,904 7.296,907 2.825,908 1.353,909 0.91,910 18.007,911 10.82,912 4.111,913 4.554,914 5.04,915 5.446,916 5.841,917 5.795,918 5.846,919 5.815,920 5.821,921 5.765,922 0.933,923 73,924 17.86,926 7.135,927 0.026,929 7.552,931 35.153,933 27.822,936 2.052,937 98.5,941 682.724,942 212.245,943 41.045,945 89.828,948 212.245,949 772.552,950 41.045,951 57.067,952 32.91,953 112.773,954 78.475,955 61.892,957 682.724,959 682.724,960 253.29,961 89.828,964 447.302,965 325.25,968 109.256,969 122.324,970 21.709,972 682.724,973 130.873,974 212.245,977 682.724,978 60.415,979 158.078,980 18.011,981 106.614,982 682.724,983 130.873,984 212.245,986 0.555,987 0.34,988 0.182,989 0.093,990 21,991 12,992 0.209,993 23,995 1,996 5.813,997 434.618,999 18,1000 266.078,1005 39.477,1006 21.895,1007 12.465,1009 130.873,1010 16.51,1015 4.329,1017 60.694,1018 1025.84,1019 60,1024 12.685,1026 2.986,1027 4.501,1028 0.761,1031 106.457,1032 122.456,1034 0.2,1035 0.475,1036 0.684,1037 0.785,1038 0.814,1039 0.829,1040 5.328,1041 1.849,1042 6.201,1043 4.72,1044 4.86,1045 5.242,1046 2.08,1047 6.963,1048 4.788,1049 6.468,1050 1.714,1051 7.736,1052 4.448,1053 4.29,1054 4.844,1055 0.57,1056 7.842,1057 4.174,1058 7.737,1059 1.636,1060 9.382,1061 4.447,1062 6.399,1063 7.257,1064 1.689,1065 10.938,1066 6.259,1067 9.045,1068 1.59,1069 11.096,1070 3.711,1071 6.735,1072 7.744,1073 0.674,1074 12.674,1075 6.547,1076 10.392,1077 1.484,1078 12.854,1079 3.583,1080 8.24,1081 9.601,1082 1.417,1083 15.278,1084 8.037,1085 11.765,1086 1.476,1087 14.641,1088 3.131,1089 8.995,1090 10.502,1091 0.66,1092 17.344,1093 8.748,1094 13.159,1095 1.362,1096 16.448,1097 3.098,1098 10.26,1099 12.118,1100 1.203,1101 19.78,1102 9.997,1103 3.068,1104 1.229,1105 18.269,1106 2.954,1107 11.21,1108 13.227,1109 0.611,1110 21.988,1111 10.908,1112 3.068,1113 10.415,1114 20.1,1115 2.627,1116 12.377,1117 14.724,1118 1.023,1119 24.361,1120 12.056,1121 2.988,1122 10.415,1123 21.94,1124 3.867,1125 13.415,1126 15.94,1127 0.55,1128 26.633,1129 13.059,1130 2.47,1131 9.366,1132 23.785,1133 3.867,1134 14.545,1135 17.374,1136 0.869,1137 28.982,1138 14.166,1139 2.47,1140 7.583,1141 25.635,1142 3.846,1143 15.622,1144 18.649,1145 0.487,1146 31.286,1147 15.211,1148 2.422,1149 7.539,1150 27.49,1151 3.014,1152 16.739,1153 20.047,1154 0.735,1155 33.626,1156 16.302,1157 1.854,1158 7.539,1159 29.348,1160 2.691,1161 17.834,1162 21.354,1163 0.427,1164 35.946,1165 17.367,1166 54012,1167 78230,1168 32.591,1169 67.16,1170 71.384,1171 72.559,1172 74.93,1173 70.762,1174 70.804,1175 84.444,1176 9.795,1177 190.028,1178 68.229,1179 5.349,1180 5.581,1181 6.469,1182 5.065,1183 5.068,1184 6.867,1185 1.776,1186 17.515,1187 4.957,1188 29.359,1189 1.428,1190 1.451,1191 1.499,1192 1.415,1193 1.416,1194 1.689,1195 0.196,1196 3.801,1197 1.365,1198 4.006,1199 4.046,1200 3.935,1201 3.908,1202 7.428,1203 3.909,1204 3.939,1205 3.971,1206 3.876,1207 3.859,1208 6.469,1209 3.859,1210 3.91,1211 3.938,1212 3.865,1213 3.796,1214 4.88,1215 3.809,1216 3.759,1217 3.823,1218 3.614,1219 3.624,1220 4.848,1221 3.611,1222 3.746,1223 3.801,1224 3.611,1225 3.618,1226 4.618,1227 3.606,1228 3.623,1229 3.697,1230 3.481,1231 3.447,1232 4.4,1233 3.444,1234 3.59,1235 3.66,1236 3.435,1237 3.427,1238 4.396,1239 3.42,1240 3.409,1241 3.492,1242 3.248,1243 3.232,1244 4.351,1245 3.222,1246 0.088,1247 0.072,1248 0.132,1249 0.081,1250 0.061,1251 4.381,1252 0.077,1253 3.581,1254 0.018,1255 6.606,1256 0.208,1257 4.032,1258 0.059,1259 3.068,1260 3.867,1261 0.916,1262 10.415,1263 2.957,1264 1.928,1265 1.901,1266 2.064,1267 2.047,1268 1.385,1269 2.054,1270 1.927,1271 1.9,1272 2.062,1273 2.045,1274 1.382,1275 2.052,1276 1.856,1277 1.829,1278 2.011,1279 2.006,1280 1.247,1281 2.001,1282 1.77,1283 1.708,1284 1.999,1285 1.932,1286 1.244,1287 1.957,1288 1.742,1289 1.686,1290 1.908,1291 1.9,1292 1.087,1293 1.913,1294 1.61,1295 1.538,1296 1.862,1297 1.816,1298 1.069,1299 1.835,1300 1.588,1301 1.518,1302 1.836,1303 1.782,1304 0.984,1305 1.805,1306 1.412,1307 1.333,1308 1.719,1309 1.632,1310 0.952,1311 1.664,1312 4.615,1314 5.878,1316 7.34,1318 8.9,1320 10.513,1322 12.359,1327 10.548,1328 13.863,1329 3.246,1330 11.144,1332 0.595,1333 4.972,1340 61.695,1341 146.237,1342 346.621,1343 499.024,1344 572.734,1345 593.489,1346 604.999,1347 150.268,1348 7.996,1349 86.63,1350 86.63,1351 18,1352 12.729,1353 4.087,1354 3.459,1355 118.993,1356 410,1357 308,1358 0.134,1359 386.172,1360 694.44,1361 934.02,1362 48232,1364 34.727,1365 0.723,1366 0.632,1367 34.727,1368 30.341,1369 23.336,1370 0.467,1371 0.361,1372 17.822,1373 22.531,1374 17.223,1375 14.484,1376 23.336,1377 18.033,1378 18.925,1379 0.296,1380 0.196,1381 18.925,1382 12.567,1383 16.129,1384 0.197,1385 0.116,1386 16.129,1387 9.486,1388 12.544,1389 0.131,1390 0.068,1391 12.544,1392 6.487,1393 9.342,1394 0.086,1395 0.038,1396 9.342,1397 4.101,1398 0.229,1399 145.462,1400 0.175,1401 43.796,1402 0.325,1403 228,1404 578.624,1405 246.235,1406 553.428,1407 753.57,1408 522,1409 260,1410 540.49,1411 279.07,1412 549.292,1413 795.8,1414 516,1415 4.959}
{0 CHEMBL555506,1 1.461,2 8.5,3 3.625,4 13.14,5 79.364,6 6.809,7 0.286,8 3.756,9 3.882,10 3.246,11 3.248,12 4.84,13 3.217,14 4.312,15 4.522,16 3.581,17 3.621,18 5.327,19 3.57,20 4.491,21 4.674,22 3.629,23 3.794,24 5.504,25 3.706,26 4.702,27 4.948,28 3.533,29 3.808,30 5.666,31 3.691,32 4.538,33 4.778,34 3.432,35 3.719,36 5.506,37 3.586,38 4.438,39 4.688,40 3.287,41 3.582,42 5.399,43 3.449,44 4.314,45 4.565,46 3.129,47 3.384,48 5.316,49 3.252,50 4.079,51 4.332,52 2.92,53 3.148,54 5.131,55 3.033,56 0.015,57 0.558,58 8.984,59 3.637,60 8.234,61 5.059,62 0.37,63 0.885,64 17.127,65 5.532,66 26.126,67 8.177,68 0.101,69 1.028,70 19.792,71 7.755,72 22.735,73 10.727,74 0.365,75 1.117,76 26.175,77 8.755,78 54.754,79 12.315,80 0.212,81 1.004,82 21.425,83 7.967,84 33.36,85 11.387,86 0.187,87 0.879,88 19.626,89 7.1,90 32.534,91 10.1,92 0.266,93 0.755,94 17.647,95 5.985,96 32.973,97 8.509,98 0.16,99 0.611,100 13.867,101 4.339,102 33.031,103 6.404,104 38,105 29,106 0.263,107 0.597,108 0.772,109 0.831,110 0.831,111 0.831,112 3.058,113 0.955,114 -3.77,115 -3.73,116 -3.55,121 40,123 2,126 3,127 1,129 1,142 1,143 1,144 3,145 2,146 1,161 1,176 7,179 3,180 5,187 8,192 6,200 6,206 6,214 3,218 1,219 7,227 5,232 2,239 4,243 2,244 5,251 2,256 1,264 1,269 2,281 492,282 13.146,283 13.146,284 13.146,285 13.146,286 13.146,287 12.109,288 19.425,289 7.754,290 13.472,291 10.288,292 10.288,293 10.288,294 10.288,295 10.288,296 8.569,297 23.569,298 3.568,299 10.784,300 3.861,301 2.007,302 1.032,303 0.707,304 0.707,305 0.707,306 3.71,310 1,311 1,312 1,313 342,314 3.742,317 45.358,318 51.238,321 81.06,325 1.35,326 16.372,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 43,338 170,339 4.409,340 3.764,341 6.693,342 4.137,343 3.158,344 3.989,345 2.208,346 10.819,347 3.097,348 3.928,349 3.46,350 5.821,351 3.638,352 2.713,353 3.156,354 1.102,355 7.922,356 2.49,357 3.661,358 2.837,359 5.639,360 3.368,361 2.421,362 2.802,363 0.655,364 7.268,365 2.287,366 3.475,367 2.541,368 5.165,369 3.066,370 2.116,371 2.548,372 0.461,373 6.201,374 2.004,375 3.276,376 2.151,377 4.494,378 2.547,379 1.563,380 2.047,381 0.13,382 4.241,383 1.536,384 2.766,385 1.977,386 3.934,387 2.213,388 1.228,389 1.642,391 3.066,392 1.207,393 2.33,394 1.562,395 3.53,396 2.014,397 1.057,398 1.241,400 2.398,401 0.996,402 2.196,403 1.177,404 3.235,405 1.869,406 0.885,407 1.075,409 1.686,410 0.866,411 1.799,412 0.847,413 2.851,414 1.485,415 0.502,416 0.613,418 1.063,419 0.491,420 1.143,421 0.559,422 2.533,423 0.753,424 -0.213,425 -0.265,427 -0.532,428 -0.201,429 0.889,430 -0.264,431 2.181,432 0.377,433 -0.584,434 -0.822,436 -0.917,437 -0.557,438 0.582,439 -0.319,440 2,441 0.142,442 -0.857,443 -1,445 -2,446 -0.845,447 0.459,448 -0.6,449 1.889,450 0.096,451 -0.886,452 -1.063,454 -2.175,455 -0.867,457 -0.766,458 1.621,459 -0.1,460 -1,461 -1.163,463 -2.671,464 -0.9,465 -0.192,466 -0.794,467 1.356,468 -0.374,469 -1.338,470 -1.546,472 -3.367,473 -1.28,474 9.467,475 0.473,476 0.562,477 0.028,478 22.75,479 1.138,480 10,481 0.5,482 12.75,483 0.638,484 16.014,485 0.801,486 22.333,487 0.558,488 16.502,489 0.825,490 4.702,491 0.235,492 4.822,493 0.241,494 0.246,496 0.349,501 0.777,502 1.568,503 0.86,504 1.283,505 0.62,506 1.111,507 0.801,508 0.748,509 0.861,510 0.705,511 0.444,512 0.751,513 0.956,514 1.369,515 1.082,516 1.355,517 0.711,518 1.257,519 1.498,520 0.857,521 1.074,522 0.854,523 1.365,524 0.905,525 0.796,526 1.092,527 1.009,528 1.136,529 0.959,530 1.112,531 1.012,532 1.005,533 0.981,534 1.024,535 0.949,536 1.008,537 1.148,538 0.981,539 1.042,540 1.025,541 1.188,542 1.032,543 1.302,544 1.1,545 1.079,546 1.016,547 1.613,548 1.012,549 4.5,550 0.033,551 2.667,552 1.382,553 1.098,554 0.563,555 0.466,556 0.349,557 0.206,558 0.06,559 3290,560 8604,561 1.938,562 50,563 2,564 15,565 1,569 2,572 1.62,573 1.765,574 3.099,575 -0.787,577 1,579 1,582 58.439,583 1.461,584 3.315,585 4.29,586 4.615,587 4.615,588 4.615,589 2.528,590 4.122,591 4.289,592 3.21,593 609.822,594 7.341,595 6210.72,596 1,597 1,598 1,599 1,600 212.877,601 1.559,602 4.219,603 0.214,604 0.008,605 0.092,606 0.048,607 0.042,608 0.024,609 0.023,610 0.022,611 0.016,612 0.009,613 0.498,614 0.67,615 1,616 1.713,617 88.307,618 0.014,619 -0.343,620 0.063,621 -0.168,622 -0.018,623 -0.067,624 0.25,625 0.406,626 0.13,627 0.264,628 0.17,629 0.204,630 -0.041,631 -0.3,632 -0.139,633 -0.295,634 0.024,635 -0.24,636 -0.205,637 0.077,638 -0.063,639 0.109,640 -0.144,641 0.05,642 0.038,643 -0.11,644 -0.06,645 -0.129,646 -0.058,647 -0.113,648 -0.062,649 -0.062,650 -0.014,651 -0.031,652 -0.091,653 -0.019,654 0.031,655 -0.048,656 -0.042,657 -0.07,658 -0.082,659 -0.075,660 -0.133,661 -0.129,662 -0.074,663 -0.086,664 -0.059,665 -0.073,666 2.031,667 4.597,668 0.45,669 15.72,670 0.995,671 1.129,672 2.538,673 6.441,674 0.644,675 3.091,676 3.401,677 3.638,678 3.85,679 4.025,680 4.111,681 4.205,682 4.304,683 4.111,684 3.951,685 5.096,686 0.605,687 272.38,688 3.091,689 4.615,690 5.451,691 6.323,692 7.188,693 8.068,694 8.945,695 9.831,696 10.714,697 11.603,698 5,701 1,705 1,715 3,720 3,722 6,737 1,741 40,743 8,744 1,745 21,747 41,748 16,749 6,750 3,751 3,756 2,757 3,767 3,770 3,771 2,772 7,773 7,777 1,782 1,786 1,789 1,790 1,793 20,794 4,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,836 1,837 1,855 1,859 1,864 3,868 20,876 3,878 1,880 1,881 2,885 1,886 1,891 1,893 5,896 1,898 1,901 11.333,902 8.15,903 4.528,904 2.282,907 1.475,908 1.231,909 0.922,910 4.564,911 7.871,912 3.332,913 3.795,914 4.238,915 4.713,916 5.179,917 5.39,918 5.682,919 5.947,920 5.771,921 5.798,922 0.833,923 29,924 7.368,926 2.977,927 0.026,929 7.775,931 14.116,933 11.159,936 2.275,937 45.5,938 0.001,941 235.422,942 119.522,943 6.249,945 36.145,948 119.522,949 271.567,950 6.249,951 25.189,952 10.299,953 28.429,954 25.145,955 25.739,956 58.885,957 223.651,959 235.422,960 125.77,961 36.145,964 211.88,965 59.687,968 13.423,969 95.316,970 17.031,972 235.422,973 42.393,974 119.522,977 235.422,978 25.552,979 59.867,980 17.031,981 59.466,982 235.422,983 42.393,984 119.522,986 0.578,987 0.335,988 0.166,989 0.09,990 13,991 7,992 0.098,993 4,994 1,995 1.222,996 3.129,997 143.499,998 0.222,999 9,1000 84.439,1005 14.741,1006 6.192,1007 3.278,1009 42.393,1010 5.85,1015 3.11,1018 397.337,1019 27,1024 11.597,1028 -0.364,1031 39.811,1032 45.152,1034 0.275,1035 0.623,1036 0.806,1037 0.867,1038 0.867,1039 0.867,1040 4.59,1041 0.885,1042 5.451,1043 2.398,1044 4.078,1045 4.477,1046 2.554,1047 6.263,1048 3.991,1049 5.782,1050 0.502,1051 7.022,1052 1.686,1053 3.761,1054 4.27,1055 1.905,1056 7.2,1057 3.614,1058 7.076,1059 -0.213,1060 8.694,1061 1.063,1062 5.673,1063 6.508,1064 3.596,1065 10.281,1066 5.505,1067 8.4,1068 -0.584,1069 10.422,1070 -0.532,1071 6.155,1072 7.091,1073 3.678,1074 12.041,1075 5.941,1076 9.752,1077 -0.857,1078 12.186,1079 -0.917,1080 7.572,1081 8.86,1082 4.973,1083 14.656,1084 7.341,1085 11.123,1086 -0.886,1087 13.974,1088 -2,1089 8.404,1090 9.815,1091 5.376,1092 16.768,1093 8.146,1094 12.511,1095 -1,1096 15.781,1097 -2.175,1098 9.636,1099 11.39,1100 6.462,1101 19.226,1102 9.363,1103 3.158,1104 -1.338,1105 17.602,1106 -2.671,1107 10.629,1108 12.537,1109 7.03,1110 21.492,1111 10.339,1112 2.713,1113 10.819,1114 19.435,1115 -3.367,1116 11.791,1117 14.022,1118 7.995,1119 23.897,1120 11.489,1121 2.421,1122 7.922,1123 21.277,1124 3.989,1125 12.86,1126 15.273,1127 8.655,1128 26.229,1129 12.545,1130 2.116,1131 7.268,1132 23.128,1133 3.156,1134 14,1135 16.711,1136 9.55,1137 28.617,1138 13.674,1139 1.563,1140 6.201,1141 24.985,1142 2.802,1143 15.104,1144 18.019,1145 10.263,1146 30.976,1147 14.767,1148 1.228,1149 4.241,1150 26.849,1151 2.548,1152 16.239,1153 19.433,1154 11.116,1155 33.359,1156 15.891,1157 1.057,1158 3.066,1159 28.717,1160 2.047,1161 17.362,1162 20.774,1163 11.862,1164 35.73,1165 17.002,1166 3469,1167 5681,1168 13.235,1169 25.773,1170 32.537,1171 32.836,1172 33.009,1173 31.359,1174 31.282,1175 38.225,1176 9.111,1177 89.329,1178 29.948,1179 5.305,1180 5.764,1181 6.462,1182 5.197,1183 5.158,1184 6.989,1185 3.912,1186 17.867,1187 5.097,1188 12.292,1189 1.549,1190 1.564,1191 1.572,1192 1.493,1193 1.49,1194 1.82,1195 0.434,1196 4.254,1197 1.426,1198 4.037,1199 4.067,1200 3.977,1201 3.966,1202 7.433,1203 3.964,1204 3.665,1205 3.719,1206 3.585,1207 3.48,1208 5.43,1209 3.487,1210 3.591,1211 3.659,1212 3.485,1213 3.358,1214 4.809,1215 3.385,1216 3.379,1217 3.435,1218 3.246,1219 3.251,1220 4.338,1221 3.244,1222 3.153,1223 3.234,1224 2.986,1225 2.975,1226 4.185,1227 2.965,1228 2.986,1229 3.02,1230 2.826,1231 2.78,1232 4.029,1233 2.767,1234 2.874,1235 3.009,1236 2.705,1237 2.618,1238 3.722,1239 2.652,1240 2.869,1241 2.922,1242 2.499,1243 2.614,1244 3.512,1245 2.57,1246 0.21,1247 0.179,1248 0.319,1249 0.197,1250 0.15,1251 4.409,1252 0.19,1253 3.764,1254 0.105,1255 6.693,1256 0.515,1257 4.137,1258 0.147,1259 3.158,1260 3.989,1261 2.208,1262 10.819,1263 3.097,1264 1.896,1265 1.877,1266 1.989,1267 1.992,1268 1.22,1269 1.99,1270 1.67,1271 1.609,1272 1.883,1273 1.864,1274 1.174,1275 1.872,1276 1.517,1277 1.445,1278 1.783,1279 1.806,1280 0.837,1281 1.802,1282 1.433,1283 1.379,1284 1.676,1285 1.591,1286 0.812,1287 1.624,1288 1.171,1289 1.099,1290 1.493,1291 1.381,1292 0.497,1293 1.422,1294 0.985,1295 0.929,1296 1.417,1297 1.25,1298 0.469,1299 1.308,1300 0.934,1301 0.804,1302 1.236,1303 1.239,1304 0.431,1305 1.224,1306 0.834,1307 0.786,1308 1.091,1309 1.076,1310 0.161,1311 1.089,1312 3.761,1314 5.069,1315 2.398,1316 6.564,1317 4.727,1318 8.148,1319 6.843,1320 9.782,1322 5.358,1328 2.71,1330 5.317,1332 0.305,1333 3.568,1337 5.38,1339 2.671,1340 24.214,1341 58.439,1342 132.612,1343 171.593,1344 184.612,1345 184.612,1346 184.612,1347 33.429,1348 6.395,1349 32.78,1350 32.78,1351 11,1352 12.134,1353 3.17,1354 2.807,1355 36.343,1356 60,1357 63,1358 0.308,1359 153.478,1360 273.48,1361 366.246,1362 4042,1364 14.698,1365 0.735,1366 0.611,1367 14.698,1368 12.219,1369 9.524,1370 0.454,1371 0.318,1372 6.569,1373 9.117,1374 6.271,1375 5.291,1376 9.524,1377 6.683,1378 8.567,1379 0.295,1380 0.183,1381 8.567,1382 5.297,1383 6.896,1384 0.186,1385 0.097,1386 6.896,1387 3.607,1388 5.25,1389 0.114,1390 0.055,1391 5.25,1392 2.526,1393 3.985,1394 0.072,1395 0.029,1396 3.985,1397 1.607,1398 0.471,1399 59.942,1400 0.275,1401 19.765,1402 0.876,1403 100,1404 292.761,1405 110.583,1406 282.294,1407 377.07,1408 262,1409 116,1410 270.134,1411 126.643,1412 277.808,1413 399.58,1414 255,1415 4.889}
{0 CHEMBL555592,1 1.436,2 9.81,3 3.961,4 15.693,5 83.341,6 6.661,7 0.273,8 3.821,9 3.951,10 3.284,11 3.322,12 4.873,13 3.283,14 4.381,15 4.584,16 3.6,17 3.691,18 5.38,19 3.619,20 4.608,21 4.835,22 3.634,23 3.812,24 5.544,25 3.713,26 4.683,27 4.922,28 3.554,29 3.778,30 5.664,31 3.675,32 4.585,33 4.826,34 3.484,35 3.692,36 5.606,37 3.582,38 4.462,39 4.696,40 3.321,41 3.587,42 5.478,43 3.477,44 4.307,45 4.54,46 3.251,47 3.494,48 5.336,49 3.37,50 4.255,51 4.502,52 3.041,53 3.39,54 5.234,55 3.25,56 0.03,57 0.595,58 9.868,59 4.004,60 8.678,61 5.594,62 0.342,63 0.943,64 18.332,65 6.358,66 27.466,67 9.322,68 0.161,69 1.106,70 22.975,71 8.234,72 27.416,73 11.882,74 0.344,75 1.102,76 25.658,77 8.218,78 49.085,79 11.726,80 0.296,81 0.995,82 23.059,83 7.841,84 42.341,85 11.123,86 0.297,87 0.871,88 20.513,89 6.894,90 43.225,91 9.607,92 0.206,93 0.8,94 17.065,95 6.289,96 30.19,97 8.945,98 0.185,99 0.744,100 16.358,101 5.544,102 35.722,103 8.102,104 31,105 29,106 0.254,107 0.619,108 0.845,109 0.881,110 0.881,111 0.881,112 3.102,113 1.006,114 -4.01,115 -3.96,116 -3.75,121 39.5,122 1,123 3,126 1,127 2,129 1,142 1,143 1,144 3,145 2,146 1,161 1,176 8,179 3,180 3,185 3,187 8,192 3,197 4,200 6,206 7,211 1,214 3,219 8,222 1,224 1,227 5,232 2,239 6,244 5,247 2,251 6,256 1,264 4,269 2,274 1,277 3,281 572,282 14.223,283 14.223,284 14.223,285 14.223,286 14.223,287 13.187,288 20.096,289 8.724,290 14.506,291 10.78,292 10.78,293 10.78,294 10.78,295 10.78,296 9.037,297 24.298,298 4.009,299 11.222,300 3.991,301 1.93,302 0.657,303 0.454,304 0.454,305 0.454,306 3.762,310 1,311 1,312 1,313 417,314 3.742,317 50.138,318 55.999,321 88.725,325 1.456,326 18.256,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 45,338 206,339 4.382,340 3.775,341 6.547,342 4.083,343 3.096,344 3.981,345 2.208,346 10.365,347 3.058,348 3.944,349 3.357,350 5.918,351 3.672,352 2.745,353 3.162,354 0.911,355 8.18,356 2.526,357 3.555,358 2.65,359 5.274,360 3.231,361 2.282,362 2.778,363 0.655,364 6.63,365 2.16,366 3.481,367 2.491,368 5.093,369 2.939,370 1.974,371 2.329,372 0.44,373 5.913,374 1.902,375 3.141,376 2.179,377 4.174,378 2.44,379 1.458,380 2.006,381 0.13,382 3.608,383 1.428,384 2.64,385 2.126,386 3.932,387 2.413,388 1.43,389 1.601,391 3.203,392 1.391,393 2.572,394 1.375,395 3.453,396 2.192,397 1.197,398 1.512,400 2.568,401 1.189,402 2.025,403 1.034,404 3.206,405 1.778,406 0.809,407 0.915,409 1.665,410 0.779,411 1.846,412 0.985,413 2.94,414 1.677,415 0.693,416 0.774,418 1.243,419 0.677,420 1.694,421 0.659,422 2.453,423 1.165,424 0.201,425 0.268,427 0.342,428 0.193,429 1.141,430 0.411,431 2.43,432 0.743,433 -0.221,434 -0.279,436 -0.512,437 -0.21,438 0.618,439 -0.26,440 2.131,441 0.37,442 -0.591,443 -0.598,445 -0.907,446 -0.564,447 0.581,448 -0.384,449 2,450 0.205,451 -0.775,452 -1.004,454 -1.675,455 -0.752,456 0.421,457 -0.52,458 1.715,459 0.141,460 -0.858,461 -1.16,463 -2.402,464 -0.855,465 0.162,466 -0.777,467 1.456,468 -0.148,469 -1.137,470 -1.444,472 -2.708,473 -1.118,474 9.967,475 0.475,476 0.435,477 0.021,478 23,479 1.095,480 10,481 0.476,482 13,483 0.619,484 17.676,485 0.842,486 23.633,487 0.55,488 16.008,489 0.762,490 4.487,491 0.214,492 5.665,493 0.27,494 0.184,496 0.291,501 0.803,502 1.446,503 0.901,504 1.235,505 0.63,506 1.099,507 0.682,508 0.994,509 0.922,510 0.947,511 0.457,512 0.949,513 0.96,514 1.207,515 0.957,516 1.144,517 0.694,518 1.061,519 1.667,520 0.936,521 1.126,522 0.919,523 1.472,524 0.947,525 1.322,526 0.995,527 1.017,528 1.005,529 1.347,530 0.982,531 1.739,532 0.864,533 1.129,534 0.856,535 1.63,536 0.917,537 0.854,538 1.094,539 1.014,540 1.141,541 1.11,542 1.113,543 1.223,544 1.061,545 1.175,546 1.058,547 1.532,548 1.1,549 4,550 0.053,551 2.444,552 1.354,553 0.973,554 0.479,555 0.426,556 0.333,557 0.19,558 0.1,559 4009,560 9671,561 1.968,562 51.2,563 5,564 11,565 1,567 1,569 4,572 1.632,573 1.826,574 3.273,575 -0.338,577 1,582 61.735,583 1.436,584 3.496,585 4.769,586 4.973,587 4.973,588 4.973,589 2.72,590 3.916,591 4.357,592 3.377,593 709.099,594 7.47,595 7626.66,597 1,599 1,600 233.329,601 1.461,602 4.311,603 0.182,604 0.007,605 0.084,606 0.047,607 0.037,608 0.02,609 0.02,610 0.018,611 0.013,612 0.01,613 0.437,614 0.67,615 1,616 2.052,617 95.617,618 -0.007,619 -0.203,620 0.047,621 -0.097,622 -0.013,623 -0.03,624 0.3,625 0.145,626 0.062,627 0.065,628 0.166,629 0.041,630 -0.01,631 -0.177,632 0.015,633 -0.134,634 0.038,635 -0.066,636 -0.215,637 0.035,638 -0.093,639 0.03,640 -0.156,641 -0.008,642 -0.029,643 -0.04,644 -0.006,645 -0.033,646 -0.058,647 -0.02,648 -0.254,649 0.08,650 -0.099,651 0.116,652 -0.245,653 0.037,654 0.104,655 -0.089,656 -0.045,657 -0.133,658 -0.014,659 -0.119,660 -0.171,661 -0.063,662 -0.191,663 -0.089,664 -0.142,665 -0.135,666 1.983,667 4.918,668 0.429,669 18.009,670 0.993,671 1.129,672 2.781,673 7.735,674 0.64,675 3.135,676 3.401,677 3.638,678 3.85,679 4.007,680 4.06,681 4.19,682 4.277,683 4.127,684 4.06,685 5.612,686 0.599,687 286.41,688 3.135,689 4.635,690 5.46,691 6.315,692 7.169,693 8.037,694 8.904,695 9.777,696 10.651,697 11.529,698 4.7,700 1,705 1,715 3,720 3,722 6,737 1,741 43,743 8,744 1,745 22,747 44,748 17,749 6,750 3,751 3,756 2,757 3,763 1,767 3,770 4,771 2,772 7,773 8,777 1,782 1,786 1,790 1,793 22,794 4,795 1,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,836 1,837 1,853 1,859 1,864 2,868 21,876 5,877 1,878 1,880 1,881 1,885 1,886 1,891 1,893 4.7,896 1,898 1,901 11.5,902 8.2,903 4.917,904 2.774,907 1.47,908 1.227,909 0.926,910 5.522,911 7.938,912 3.367,913 3.795,914 4.238,915 4.695,916 5.162,917 5.345,918 5.649,919 5.893,920 5.759,921 5.823,922 0.857,923 29,924 7.763,926 3.135,927 0.026,929 7.738,931 14.967,933 11.855,936 2.238,937 47,938 0.001,941 247.193,942 116.194,943 21.135,945 36.145,948 116.194,949 283.338,950 21.135,951 17.222,952 14.939,953 46.439,954 25.145,955 22.614,956 58.885,957 235.422,959 247.193,960 137.329,961 36.145,964 200.109,965 83.229,968 41.775,969 78.523,970 17.031,972 247.193,973 57.28,974 116.194,977 247.193,978 30.192,979 48.775,980 35.041,981 59.466,982 247.193,983 57.28,984 116.194,986 0.557,987 0.325,988 0.171,989 0.093,990 12,991 6,992 0.136,993 6,994 1,995 1.222,996 3.313,997 149.345,998 0.222,999 9,1000 92.239,1005 15.721,1006 7.376,1007 3.92,1009 57.28,1010 5.851,1015 3.08,1017 18.011,1018 420.667,1019 28,1024 11.918,1028 -0.317,1031 42.694,1032 48.567,1034 0.265,1035 0.644,1036 0.879,1037 0.916,1038 0.916,1039 0.916,1040 4.6,1041 0.809,1042 5.425,1043 2.568,1044 4.078,1045 4.477,1046 2.503,1047 6.205,1048 4.001,1049 5.766,1050 0.693,1051 6.967,1052 1.665,1053 3.611,1054 4.182,1055 1.847,1056 7.066,1057 3.489,1058 7.046,1059 0.201,1060 8.613,1061 1.243,1062 5.631,1063 6.49,1064 3.569,1065 10.152,1066 5.479,1067 8.359,1068 -0.221,1069 10.32,1070 0.342,1071 6.019,1072 7.04,1073 3.656,1074 11.86,1075 5.835,1076 9.703,1077 -0.591,1078 12.065,1079 -0.512,1080 7.488,1081 8.836,1082 4.964,1083 14.45,1084 7.282,1085 11.069,1086 -0.775,1087 13.837,1088 -0.907,1089 8.267,1090 9.78,1091 5.37,1092 16.511,1093 8.044,1094 12.452,1095 -0.858,1096 15.627,1097 -1.675,1098 9.517,1099 11.367,1100 6.459,1101 18.931,1102 9.276,1103 3.096,1104 -1.137,1105 17.432,1106 -2.402,1107 10.476,1108 12.51,1109 7.028,1110 21.147,1111 10.228,1112 2.745,1113 10.365,1114 19.248,1115 -2.708,1116 11.638,1117 13.998,1118 7.994,1119 23.507,1120 11.379,1121 2.282,1122 8.18,1123 21.073,1124 3.981,1125 12.681,1126 15.246,1127 8.654,1128 25.79,1129 12.416,1130 1.974,1131 6.63,1132 22.905,1133 3.162,1134 13.81,1135 16.686,1136 9.549,1137 28.131,1138 13.538,1139 1.458,1140 5.913,1141 24.744,1142 2.778,1143 14.892,1144 17.991,1145 10.263,1146 30.443,1147 14.615,1148 1.43,1149 3.608,1150 26.587,1151 2.329,1152 16.011,1153 19.405,1154 11.116,1155 32.779,1156 15.728,1157 1.197,1158 3.203,1159 28.435,1160 2.006,1161 17.111,1162 20.743,1163 11.862,1164 35.104,1165 16.824,1166 4181,1167 6579,1168 14.216,1169 27.534,1170 33.107,1171 33.124,1172 33.617,1173 31.818,1174 31.771,1175 38.654,1176 8.689,1177 87.434,1178 30.608,1179 5.277,1180 5.775,1181 6.409,1182 5.159,1183 5.096,1184 6.981,1185 3.912,1186 17.023,1187 5.058,1188 11.567,1189 1.505,1190 1.506,1191 1.528,1192 1.446,1193 1.444,1194 1.757,1195 0.395,1196 3.974,1197 1.391,1198 4.032,1199 4.061,1200 3.972,1201 3.963,1202 7.433,1203 3.96,1204 3.724,1205 3.79,1206 3.621,1207 3.515,1208 5.432,1209 3.522,1210 3.576,1211 3.632,1212 3.467,1213 3.441,1214 4.811,1215 3.44,1216 3.426,1217 3.477,1218 3.296,1219 3.29,1220 4.338,1221 3.284,1222 3.318,1223 3.394,1224 3.153,1225 3.101,1226 4.202,1227 3.108,1228 3.021,1229 3.081,1230 2.874,1231 2.867,1232 4.008,1233 2.859,1234 2.922,1235 2.974,1236 2.737,1237 2.621,1238 3.873,1239 2.647,1240 2.746,1241 2.868,1242 2.557,1243 2.533,1244 3.644,1245 2.527,1246 0.199,1247 0.172,1248 0.298,1249 0.186,1250 0.141,1251 4.382,1252 0.181,1253 3.775,1254 0.1,1255 6.547,1256 0.471,1257 4.083,1258 0.139,1259 3.096,1260 3.981,1261 2.208,1262 10.365,1263 3.058,1264 1.894,1265 1.876,1266 1.987,1267 1.99,1268 1.188,1269 1.987,1270 1.669,1271 1.598,1272 1.934,1273 1.89,1274 1.182,1275 1.904,1276 1.636,1277 1.575,1278 1.855,1279 1.821,1280 1.171,1281 1.837,1282 1.431,1283 1.381,1284 1.657,1285 1.614,1286 0.731,1287 1.63,1288 1.323,1289 1.251,1290 1.641,1291 1.567,1292 0.713,1293 1.598,1294 1.064,1295 1.016,1296 1.294,1297 1.284,1298 0.442,1299 1.277,1300 0.852,1301 0.793,1302 1.275,1303 1.145,1304 0.423,1305 1.19,1306 0.798,1307 0.692,1308 1.092,1309 1.082,1310 0.162,1311 1.092,1312 3.807,1314 5.081,1315 2.398,1316 6.55,1317 4.727,1318 8.113,1319 6.823,1320 9.731,1322 3.775,1328 4.211,1329 3.324,1330 5.426,1332 0.253,1333 1.585,1337 5.297,1339 2.598,1340 25.74,1341 61.735,1342 150.333,1343 205.065,1344 213.82,1345 213.82,1346 213.82,1347 37.752,1348 6.468,1349 41.57,1350 41.57,1351 11,1352 12.067,1353 3.17,1354 2.807,1355 39.308,1356 70,1357 74,1358 0.283,1359 163.07,1360 290.78,1361 389.651,1362 4626,1364 15.242,1365 0.726,1366 0.604,1367 15.242,1368 12.686,1369 10.151,1370 0.461,1371 0.335,1372 7.283,1373 9.789,1374 7.046,1375 5.926,1376 10.151,1377 7.379,1378 8.562,1379 0.295,1380 0.184,1381 8.562,1382 5.326,1383 7.019,1384 0.19,1385 0.101,1386 7.019,1387 3.721,1388 5.474,1389 0.119,1390 0.057,1391 5.474,1392 2.643,1393 4.174,1394 0.077,1395 0.029,1396 4.174,1397 1.574,1398 0.442,1399 63.416,1400 0.265,1401 20.939,1402 0.782,1403 102,1404 289.449,1405 112.555,1406 278.965,1407 375.23,1408 260,1409 117,1410 270.782,1411 127.143,1412 274.636,1413 398.06,1414 256,1415 4.836}
{0 CHEMBL555641,1 1.531,2 6.563,3 1.465,4 2.146,5 61.714,6 6.884,7 0.353,8 3.555,9 3.684,10 3.046,11 3.029,12 4.639,13 3.009,14 4.101,15 4.295,16 3.406,17 3.426,18 5.18,19 3.378,20 4.297,21 4.494,22 3.387,23 3.523,24 5.361,25 3.44,26 4.38,27 4.623,28 3.138,29 3.365,30 5.436,31 3.262,32 4.05,33 4.302,34 2.986,35 3.098,36 5.097,37 3.007,38 3.837,39 4.041,40 2.759,41 2.967,42 4.875,43 2.878,44 3.839,45 4.108,46 2.702,47 2.884,48 4.905,49 2.753,50 3.686,51 3.939,52 2.284,53 2.702,54 4.71,55 2.561,56 0.022,57 0.456,58 7.309,59 2.856,60 7.059,61 3.996,62 0.311,63 0.704,64 13.669,65 4.715,66 23.059,67 6.816,68 0.097,69 0.798,70 16.483,71 6.044,72 20.245,73 8.528,74 0.353,75 0.729,76 19.435,77 5.557,78 52.445,79 8.031,80 0.199,81 0.554,82 13.585,83 4.09,84 27.072,85 6.13,86 0.176,87 0.465,88 10.842,89 3.344,90 21.14,91 4.749,92 0.158,93 0.457,94 10.871,95 3.466,96 27.264,97 5.267,98 0.196,99 0.384,100 9.561,101 2.504,102 29.09,103 3.884,104 20,105 24,106 0.294,107 0.638,108 0.79,109 0.819,110 0.819,111 0.819,112 2.853,113 0.945,114 -2.81,115 -2.82,116 -2.74,121 37.5,123 2,126 2,129 1,144 3,145 2,146 1,161 1,165 1,166 1,167 1,176 6,179 3,180 2,185 2,187 8,189 2,192 2,197 3,200 6,203 3,206 5,211 1,214 1,216 1,219 6,221 1,222 1,224 1,229 1,232 2,244 4,246 2,247 2,281 242,282 10.361,283 10.361,284 10.361,285 10.361,286 10.361,287 9.532,288 15.633,289 5.964,290 10.598,291 8.346,292 8.346,293 8.346,294 8.346,295 8.346,296 6.942,297 20.012,298 2.813,299 8.703,300 3.469,301 1.674,302 0.883,303 0.735,304 0.735,305 0.735,306 3.496,311 1,312 1,313 216,314 3,317 34.508,318 38.261,321 60.769,325 1.117,326 16.004,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 35,338 105,339 4.371,340 3.763,341 6.497,342 4.063,343 3.074,344 3.976,345 2.208,346 10.13,347 3.042,348 3.913,349 3.32,350 5.807,351 3.621,352 2.693,353 3.142,354 0.655,355 7.828,356 2.476,357 3.501,358 2.591,359 5.198,360 3.17,361 2.217,362 2.745,363 0.522,364 6.31,365 2.105,366 3.087,367 2.165,368 4.945,369 2.831,370 1.849,371 2.228,372 0.13,373 5.397,374 1.812,375 2.49,376 1.977,377 4.056,378 2.235,379 1.25,380 1.487,382 3.319,383 1.229,384 2.319,385 1.342,386 3.53,387 2.005,388 1.049,389 1.223,391 2.411,392 0.985,393 1.91,394 0.951,395 3.211,396 1.68,397 0.69,398 0.812,400 1.596,401 0.681,402 1.171,403 0.609,404 2.536,405 0.816,406 -0.147,407 -0.179,409 -0.36,410 -0.139,411 0.624,412 -0.159,413 2.196,414 0.285,415 -0.684,416 -0.795,418 -1.687,419 -0.655,420 0.579,421 -0.536,422 2,423 0.141,424 -0.858,425 -1,427 -2,428 -0.854,430 -0.6,431 1.801,432 -0.1,433 -1,434 -1.158,436 -2.592,437 -0.9,438 -0.012,439 -0.782,440 1.426,441 -0.211,442 -1.191,443 -1.406,445 -3.057,446 -1.157,447 -0.249,448 -1.074,449 1.294,450 -0.498,451 -1.465,452 -1.801,454 -4.114,455 -1.43,456 -0.5,457 -1.363,458 1.044,459 -0.727,460 -1.714,461 -1.898,462 -0.4,463 -4.885,464 -1.585,465 -0.575,466 -1.391,467 1,468 -0.851,469 -1.797,470 -2.033,471 -0.522,472 -5.66,473 -1.701,474 7.467,475 0.467,476 0.511,477 0.032,478 18.25,479 1.141,480 8,481 0.5,482 10.25,483 0.641,484 11.555,485 0.722,486 18.333,487 0.573,488 11.948,489 0.747,490 3.64,491 0.228,492 3.935,493 0.246,494 0.232,496 0.388,501 0.832,502 1.408,503 0.867,504 1.209,505 0.739,506 1.056,507 0.598,508 0.806,509 0.803,510 0.818,511 0.468,512 0.825,513 0.923,514 1.338,515 1.023,516 1.353,517 0.75,518 1.231,519 1.697,520 0.919,521 1.18,522 0.893,523 1.66,524 0.954,525 1.03,526 1.006,527 0.897,528 0.975,529 1.019,530 0.923,531 1.643,532 1.141,533 1.32,534 1.105,535 1.316,536 1.162,537 0.588,538 1.052,539 0.848,540 1.079,541 0.935,542 1.025,543 1.629,544 0.916,545 1.46,546 0.913,547 2.133,548 1.114,549 4,551 2.222,552 1.104,553 0.768,554 0.372,555 0.31,556 0.243,557 0.063,559 1818,560 4640,561 1.958,562 50,563 2,564 10,567 2,569 2,572 1.55,573 1.778,574 2.778,575 0.451,577 1,578 1,579 1,582 48.98,583 1.531,584 3.326,585 4.117,586 4.265,587 4.265,588 4.265,589 2.18,590 3.75,591 3.974,592 2.893,593 347.108,594 6.685,595 3001.68,597 1,599 1,600 160,601 1.561,602 3.895,603 0.235,605 0.093,606 0.05,607 0.048,608 0.027,609 0.028,610 0.024,611 0.01,613 0.516,614 0.83,615 1,616 1.5,617 64.153,618 -0.06,619 -0.124,620 0.037,621 -0.055,622 -0.104,623 0.004,624 0.303,625 0.345,626 0.147,627 0.227,628 0.186,629 0.177,630 -0.037,631 -0.289,632 -0.091,633 -0.288,634 0.026,635 -0.21,636 -0.278,637 -0.033,638 -0.149,639 0.03,640 -0.225,641 -0.033,642 0.038,643 -0.069,644 0.092,645 -0.033,646 0.035,647 0.029,648 -0.312,649 -0.147,650 -0.319,651 -0.122,652 -0.26,653 -0.214,654 0.213,655 -0.113,656 0.106,657 -0.132,658 0.182,659 -0.055,660 -0.398,661 0.059,662 -0.452,663 -0.031,664 -0.333,665 -0.219,666 2.036,667 4.366,668 0.563,669 9.516,670 1.001,671 1.135,672 1.583,673 2.506,674 0.633,675 2.89,676 3.219,677 3.434,678 3.611,679 3.761,680 3.738,681 3.85,682 3.892,683 3.497,684 3.135,685 4.269,686 0.599,687 220.3,688 2.89,689 4.419,690 5.252,691 6.12,692 6.978,693 7.849,694 8.716,695 9.589,696 10.46,697 11.335,698 6.3,699 1,705 1,715 3,720 3,722 6,737 1,741 32,743 7,744 1,745 17,747 33,748 12,749 6,750 3,751 3,756 2,757 3,767 3,770 3,772 7,773 5,777 1,782 1,786 1,790 1,793 16,794 4,795 2,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,851 1,859 1,864 2,868 16,869 1,876 2,878 1,880 1,881 1,893 6.3,896 1,898 1,901 9,902 6.2,903 3.5,904 1.818,907 1.317,908 1.222,909 0.939,910 3.055,911 7.239,912 3.091,913 3.624,914 4.099,915 4.558,916 5.033,917 5.154,918 5.417,919 5.552,920 5.126,921 4.655,922 1,923 22,924 5.907,926 2.449,927 0.026,929 7.844,931 11.253,933 9.07,936 2.344,937 37.5,938 0.003,941 164.795,942 68.668,943 36.022,945 36.145,948 68.668,949 200.94,950 36.022,951 16.793,952 41.091,953 28.429,954 25.145,955 22.614,956 6.763,957 164.795,959 164.795,960 104.689,961 36.145,964 141.253,965 59.687,968 41.091,969 63.599,972 164.795,973 72.166,974 68.668,977 164.795,978 23.446,979 48.346,981 69.042,982 164.795,983 72.166,984 68.668,986 0.594,987 0.34,988 0.156,989 0.083,990 12,991 6,992 0.061,993 2,994 1,995 1.222,996 2.782,997 104.95,998 0.222,999 9,1000 62,1005 11.27,1006 4.337,1007 2.323,1009 72.166,1010 5.674,1015 2.927,1017 32.897,1018 305.629,1019 21,1024 11.366,1028 -0.369,1031 32.043,1032 36.322,1034 0.306,1035 0.665,1036 0.823,1037 0.853,1038 0.853,1039 0.853,1040 4.337,1041 -0.147,1042 5.263,1043 1.596,1044 3.892,1045 4.304,1046 2.372,1047 6.061,1048 3.817,1049 5.53,1050 -0.684,1051 6.83,1052 -0.36,1053 3.611,1054 4.182,1055 1.847,1056 6.957,1057 3.489,1058 6.83,1059 -0.858,1060 8.493,1061 -1.687,1062 5.485,1063 6.391,1064 3.532,1065 10.005,1066 5.344,1067 8.163,1068 -1,1069 10.209,1070 -2,1071 5.969,1072 7.023,1073 3.656,1074 11.7,1075 5.794,1076 9.526,1077 -1.191,1078 11.957,1079 -2.592,1080 7.368,1081 8.785,1082 4.956,1083 14.274,1084 7.181,1085 10.91,1086 -1.465,1087 13.728,1088 -3.057,1089 8.188,1090 9.76,1091 5.37,1092 16.316,1093 7.983,1094 12.308,1095 -1.714,1096 15.515,1097 -4.114,1098 9.405,1099 11.338,1100 6.458,1101 18.721,1102 9.191,1103 3.074,1104 -1.797,1105 17.315,1106 -4.885,1107 10.379,1108 12.49,1109 7.028,1110 20.916,1111 10.156,1112 2.693,1113 10.13,1114 19.126,1115 -5.66,1116 11.525,1117 13.977,1118 7.994,1119 23.259,1120 11.297,1121 2.217,1122 7.828,1123 20.945,1124 3.976,1125 12.57,1126 15.228,1127 8.654,1128 25.521,1129 12.337,1130 1.849,1131 6.31,1132 22.772,1133 3.142,1134 13.69,1135 16.667,1136 9.549,1137 27.843,1138 13.454,1139 1.25,1140 5.397,1141 24.605,1142 2.745,1143 14.769,1144 17.973,1145 10.263,1146 30.134,1147 14.53,1148 1.049,1149 3.319,1150 26.442,1151 2.228,1152 15.88,1153 19.386,1154 11.116,1155 32.449,1156 15.639,1157 0.69,1158 2.411,1159 28.285,1160 1.487,1161 16.976,1162 20.723,1163 11.862,1164 34.753,1165 16.732,1166 1912,1167 3124,1168 10.751,1169 20.25,1170 25.888,1171 26.773,1172 26.959,1173 25.703,1174 25.645,1175 31.227,1176 7.029,1177 73.982,1178 24.659,1179 5.23,1180 5.763,1181 5.853,1182 5.122,1183 5.074,1184 6.976,1185 3.912,1186 16.656,1187 5.042,1188 9.188,1189 1.523,1190 1.575,1191 1.586,1192 1.512,1193 1.509,1194 1.837,1195 0.413,1196 4.352,1197 1.451,1198 4.025,1199 4.053,1200 3.964,1201 3.957,1202 7.433,1203 3.955,1204 3.646,1205 3.704,1206 3.564,1207 3.384,1208 5.035,1209 3.413,1210 3.445,1211 3.509,1212 3.31,1213 3.277,1214 4.743,1215 3.279,1216 3.079,1217 3.165,1218 2.925,1219 2.883,1220 4.278,1221 2.88,1222 2.944,1223 3.009,1224 2.781,1225 2.62,1226 4.089,1227 2.662,1228 2.874,1229 2.977,1230 2.506,1231 2.618,1232 3.709,1233 2.57,1234 2.716,1235 2.812,1236 2.499,1237 2.461,1238 3.511,1239 2.457,1240 2.504,1241 2.571,1242 2.36,1243 2.333,1244 3.467,1245 2.333,1246 0.257,1247 0.221,1248 0.382,1249 0.239,1250 0.181,1251 4.371,1252 0.234,1253 3.763,1254 0.13,1255 6.497,1256 0.596,1257 4.063,1258 0.179,1259 3.074,1260 3.976,1261 2.208,1262 10.13,1263 3.042,1264 1.891,1265 1.873,1266 1.984,1267 1.983,1268 1.175,1269 1.981,1270 1.579,1271 1.513,1272 1.827,1273 1.81,1274 1.142,1275 1.802,1276 1.515,1277 1.441,1278 1.782,1279 1.77,1280 0.834,1281 1.794,1282 1.103,1283 1.052,1284 1.417,1285 1.367,1286 0.469,1287 1.365,1288 0.934,1289 0.804,1290 1.355,1291 1.239,1292 0.469,1293 1.308,1294 0.835,1295 0.792,1296 1.093,1297 1.158,1298 0.161,1299 1.117,1300 0.691,1301 0.644,1302 0.978,1303 0.964,1305 0.996,1306 0.502,1307 0.368,1308 0.843,1309 0.852,1311 0.877,1312 3.555,1314 4.875,1315 2.398,1316 6.375,1317 4.727,1318 7.955,1319 6.804,1320 9.582,1322 3.308,1326 5.955,1328 1.985,1330 5.181,1332 0.077,1333 1.396,1340 19.16,1341 48.98,1342 106.436,1343 131.735,1344 136.49,1345 136.49,1346 136.49,1347 23.887,1348 5.922,1349 55.56,1350 55.56,1351 11,1352 11.875,1353 3,1354 2.322,1355 26.009,1356 41,1357 34,1358 0.33,1359 120.963,1360 209.56,1361 286.91,1362 2171,1364 11.707,1365 0.732,1366 0.598,1367 11.707,1368 9.565,1369 7.575,1370 0.446,1371 0.315,1372 5.262,1373 7.24,1374 5.063,1375 4.249,1376 7.575,1377 5.352,1378 7.115,1379 0.296,1380 0.178,1381 7.115,1382 4.268,1383 5.724,1384 0.191,1385 0.094,1386 5.724,1387 2.812,1388 4.117,1389 0.114,1390 0.052,1391 4.117,1392 1.868,1393 3.25,1394 0.077,1395 0.028,1396 3.25,1397 1.18,1398 0.499,1399 47.879,1400 0.305,1401 16.033,1402 0.95,1403 82,1404 244.428,1405 91.529,1406 232.894,1407 312.53,1408 216,1409 95,1410 227.656,1411 103.978,1412 231.213,1413 335,1414 214,1415 6.119}
{0 CHEMBL555666,1 1.311,2 15.098,3 9.318,4 86.833,5 173.305,6 6.893,7 0.468,8 4.483,9 4.612,10 4.003,11 4.104,12 5.385,13 4.04,14 5.087,15 5.273,16 4.397,17 4.562,18 5.921,19 4.466,20 5.428,21 5.668,22 4.515,23 4.746,24 6.207,25 4.619,26 5.472,27 5.728,28 4.486,29 4.729,30 6.243,31 4.595,32 5.452,33 5.698,34 4.404,35 4.738,36 6.197,37 4.591,38 5.517,39 5.78,40 4.358,41 4.761,42 6.205,43 4.578,44 5.529,45 5.812,46 4.219,47 4.709,48 6.184,49 4.495,50 5.428,51 5.722,52 4.11,53 4.578,54 6.061,55 4.349,56 0.086,57 1.153,58 18.649,59 8.087,60 10.742,61 11.435,62 0.182,63 2.02,64 35.887,65 14.791,66 22.581,67 21.087,68 0.336,69 2.724,70 53.983,71 20.27,72 39.289,73 29.23,74 0.49,75 2.853,76 56.585,77 20.321,78 47.308,79 29.694,80 0.406,81 2.808,82 53.883,83 19.964,84 39.184,85 29.118,86 0.374,87 2.844,88 58.714,89 23.289,90 39.754,91 33.422,92 0.415,93 2.786,94 62.728,95 23.929,96 43.403,97 34.077,98 0.338,99 2.426,100 59.154,101 22.301,102 38.722,103 31.501,104 5,105 67,106 0.197,107 0.507,108 0.704,109 0.838,110 0.864,111 0.871,112 3.741,113 1.034,114 -6.93,115 -6.74,116 -6.24,121 43.9,122 1,123 11,124 2,127 2,137 1,138 1,144 7,145 4,146 3,148 4,176 22,180 8,185 6,187 30,192 7,197 6,200 20,206 7,209 2,211 11,214 23,219 1,224 6,227 24,232 3,237 3,239 35,244 2,248 1,251 30,256 2,264 26,269 2,274 4,277 17,281 3302,282 28.515,283 28.515,284 28.515,285 28.515,286 28.515,287 25.656,288 30.006,289 17.051,290 28.875,291 23.339,292 23.339,293 23.339,294 23.339,295 23.339,296 18.837,297 33.216,298 8.229,299 23.987,300 5.046,301 2.986,302 1.679,303 0.79,304 0.619,305 0.57,306 4.472,308 1,313 1415,314 3.873,318 629.12,320 114.214,322 617.272,324 176.525,325 1.891,326 21.481,329 0.5,330 0.5,331 0.5,332 0.6,333 0.5,334 0.67,335 1,336 0.61,337 84.333,338 619,339 4.686,340 3.508,341 6.986,342 4.303,343 3.319,344 4.594,345 0.68,346 11.934,347 3.265,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 4.564,354 0.4,355 11.348,356 3.162,357 4.143,358 3.064,359 6.24,360 3.826,361 2.84,362 3.624,363 0.4,364 9.32,365 2.801,366 3.914,367 2.858,368 5.982,369 3.524,370 2.532,371 3.437,373 8.37,374 2.512,375 3.814,376 2.669,377 5.569,378 3.416,379 2.452,380 3.131,382 7.471,383 2.369,384 3.568,385 2.547,386 5.39,387 3.202,388 2.229,389 2.925,391 6.847,392 2.167,393 3.522,394 2.457,395 5.381,396 3.136,397 2.182,398 2.893,400 6.711,401 2.079,402 3.406,403 2.356,404 5.126,405 3.015,406 2.084,407 2.725,409 6.137,410 1.925,411 3.012,412 2.145,413 4.836,414 2.873,415 1.908,416 2.142,418 5.357,419 1.815,420 2.941,421 1.961,422 4.666,423 2.805,424 1.821,425 2.045,427 4.874,428 1.773,429 2.91,430 1.85,431 4.116,432 2.643,433 1.671,434 1.927,436 3.796,437 1.581,438 2.852,439 1.659,440 4.049,441 2.52,442 1.536,443 1.875,445 3.427,446 1.51,447 2.654,448 1.513,449 3.976,450 2.44,451 1.46,452 1.688,454 3.329,455 1.428,456 2.58,457 1.438,458 3.819,459 2.345,460 1.347,461 1.602,463 3.214,464 1.343,465 2.489,466 1.35,467 3.635,468 2.242,469 1.247,470 1.489,472 2.902,473 1.24,474 20.314,475 0.495,476 0.88,477 0.021,478 47.75,479 1.165,480 22,481 0.537,482 25.75,483 0.628,484 49.156,485 1.199,486 43.286,487 0.528,488 32.896,489 0.802,490 7.913,491 0.193,492 12.223,493 0.298,494 0.06,496 0.345,501 0.812,502 1.159,503 0.768,504 0.974,505 0.724,506 0.951,507 0.824,508 1.189,509 0.815,510 1.024,511 0.655,512 1.005,513 1.021,514 1.111,515 0.886,516 0.972,517 0.934,518 0.953,519 1.063,520 1.037,521 0.858,522 0.933,523 0.889,524 0.941,525 1.28,526 1.029,527 0.962,528 0.99,529 1.1,530 1.053,531 0.739,532 1.05,533 0.901,534 1.067,535 0.788,536 1.088,537 0.93,538 0.944,539 1.053,540 1.048,541 1.043,542 1.075,543 0.871,544 0.939,545 1.073,546 1.029,547 0.978,548 1.024,549 6.5,550 0.111,551 3.556,552 3.25,553 2.702,554 1.292,555 0.824,556 0.587,557 0.324,558 0.231,559 34409,560 67374,561 2.221,562 50,563 19,564 12,567 2,568 4,569 4,572 1.801,573 2.139,574 3.76,575 0.016,582 107.542,583 1.311,584 3.371,585 4.678,586 5.568,587 5.739,588 5.787,589 2.989,590 4.919,591 5.339,592 4.051,593 3321.62,594 9.394,595 62882.7,600 521.319,601 1.177,602 5.314,603 0.138,604 0.003,605 0.053,606 0.045,607 0.039,608 0.021,609 0.014,610 0.012,611 0.008,612 0.007,613 0.341,614 0.33,615 0.63,616 0.343,617 236.8,618 0.002,619 -0.002,620 0.048,621 0.045,622 0.058,623 0.058,624 0.023,625 -0.099,626 0.03,627 -0.026,628 0.144,629 -0.008,630 0.005,631 -0.071,632 0.033,633 0.001,634 0.034,635 0.024,636 0.077,637 0.016,638 0.03,639 0.011,640 0.091,641 0.015,642 -0.2,643 0.04,644 -0.118,645 -0.046,646 -0.194,647 -0.096,648 0.014,649 -0.071,650 -0.04,651 -0.085,652 -0.023,653 -0.096,654 -0.057,655 0.003,656 -0.08,657 -0.058,658 -0.13,659 -0.082,660 0.001,661 -0.037,663 -0.017,664 -0.021,665 -0.017,666 0.906,667 2.27,668 0.756,669 44.182,670 0.982,671 1.12,672 5.7,673 32.49,674 0.675,675 3.871,676 4.22,677 4.554,678 4.92,679 5.247,680 5.412,681 5.587,682 5.768,683 5.846,684 5.869,685 9.554,686 0.621,687 565.26,688 3.871,689 5.434,690 6.312,691 7.217,692 8.116,693 9.033,694 9.942,695 10.864,696 11.777,697 12.702,698 4.9,703 2,708 2,714 4,715 7,716 2,720 7,722 22,734 2,740 1,741 82,743 23,744 2,745 47,747 88,748 36,749 18,750 5,751 7,756 7,757 16,758 1,763 1,767 7,768 2,770 11,772 20,773 16,774 2,777 1,784 1,786 1,793 41,794 4,795 2,796 5,797 1,802 4,808 0.286,822 2,829 7,831 1,833 4,835 1,849 1,850 1,859 2,864 1,865 1,868 41,876 13,877 2,880 2,892 1,901 19.167,902 14.876,903 8.833,904 5.75,907 5.07,908 1.527,909 1.034,910 7.82,911 14.692,912 4.094,913 4.727,914 5.368,915 6.028,916 6.665,917 7.062,918 7.482,919 7.903,920 8.241,921 8.309,922 1,923 73,924 15.271,926 6.63,927 0.026,929 7.336,931 30.918,933 27.34,936 1.836,937 75.278,941 459.073,942 150.245,943 69.593,944 39.149,948 150.245,949 498.222,950 69.593,951 8.825,952 32.091,953 75.81,954 69.593,955 33.519,957 459.073,958 39.149,959 459.073,960 219.838,962 39.149,964 411.989,965 47.084,968 50.718,969 90.05,970 118.217,972 459.073,973 69.593,974 189.394,977 459.073,978 65.61,979 84.635,980 36.022,981 72.72,982 459.073,983 69.593,984 189.394,986 0.579,987 0.341,988 0.205,989 0.123,990 35,991 14,992 0.102,993 9,994 6,995 1.355,996 5.187,997 430.883,998 0.387,999 30,1000 219.66,1005 27.078,1006 11.84,1007 5.549,1008 4.651,1009 69.593,1010 14.834,1011 10.119,1015 8.948,1017 36.022,1018 718.059,1019 59,1026 2.483,1028 1.535,1031 80.519,1032 91.826,1034 0.206,1035 0.53,1036 0.736,1037 0.876,1038 0.903,1039 0.91,1040 5.359,1041 2.084,1042 6.293,1043 6.711,1044 4.905,1045 5.416,1046 0.942,1047 7.144,1048 4.854,1049 6.561,1050 1.908,1051 7.864,1052 6.137,1053 4.443,1054 5.301,1056 8.097,1057 4.354,1058 7.882,1059 1.821,1060 9.538,1061 5.357,1062 6.521,1063 7.679,1064 0.425,1065 11.277,1066 6.432,1067 9.24,1068 1.671,1069 11.278,1070 4.874,1071 6.909,1072 8.434,1074 13.105,1075 6.795,1076 10.636,1077 1.536,1078 13.061,1079 3.796,1080 8.436,1081 10.293,1082 0.194,1083 15.802,1084 8.317,1085 12.059,1086 1.46,1087 14.874,1088 3.427,1089 9.246,1090 11.456,1092 17.997,1093 9.107,1094 13.503,1095 1.347,1096 16.71,1097 3.329,1098 10.55,1099 13.109,1100 0.09,1101 20.532,1102 10.401,1103 3.319,1104 1.247,1105 18.563,1106 3.214,1107 11.563,1108 14.466,1110 22.881,1111 11.396,1112 3.226,1113 11.934,1114 20.429,1115 2.902,1116 12.781,1117 16.036,1118 0.042,1119 25.363,1120 12.601,1121 2.84,1122 11.348,1123 22.307,1124 4.594,1125 13.887,1126 17.481,1128 27.775,1129 13.69,1130 2.532,1131 9.32,1132 24.194,1133 4.564,1134 15.075,1135 19.019,1136 0.019,1137 30.241,1138 14.863,1139 2.452,1140 8.37,1141 26.087,1142 3.624,1143 16.223,1144 20.505,1146 32.681,1147 15.993,1148 2.229,1149 7.471,1150 27.987,1151 3.437,1152 17.404,1153 22.031,1154 0.009,1155 35.142,1156 17.157,1157 2.182,1158 6.847,1159 29.892,1160 3.131,1161 18.571,1162 23.536,1164 37.595,1165 18.307,1166 30638,1167 43093,1168 32.709,1169 55.347,1170 70.57,1171 71.108,1172 71.985,1173 70.449,1174 70.261,1175 88.786,1176 2.96,1177 205.861,1178 68.269,1179 5.647,1180 5.508,1181 6.873,1182 5.345,1183 5.319,1184 7.594,1185 1.36,1186 19.51,1187 5.265,1188 12.985,1189 1.501,1190 1.513,1191 1.532,1192 1.499,1193 1.495,1194 1.889,1195 0.063,1196 4.38,1197 1.453,1198 4.157,1199 4.187,1200 4.146,1201 4.087,1202 5.043,1203 4.089,1204 4.096,1205 4.125,1206 4.066,1207 4.028,1208 4.968,1209 4.032,1210 3.874,1211 3.908,1212 3.866,1213 3.813,1214 4.697,1215 3.802,1216 3.75,1217 3.816,1218 3.623,1219 3.652,1220 4.432,1221 3.638,1222 3.731,1223 3.78,1224 3.613,1225 3.615,1226 4.413,1227 3.598,1228 3.529,1229 3.603,1230 3.554,1231 3.404,1232 4.281,1233 3.397,1234 3.448,1235 3.503,1236 3.335,1237 3.309,1238 4.208,1239 3.301,1240 3.297,1241 3.369,1242 3.199,1243 3.16,1244 4.069,1245 3.15,1246 0.1,1247 0.075,1248 0.149,1249 0.092,1250 0.071,1251 4.686,1252 0.098,1253 3.508,1254 0.014,1255 6.986,1256 0.254,1257 4.303,1258 0.069,1259 3.319,1260 4.594,1261 0.68,1262 11.934,1263 3.265,1264 2.098,1265 2.073,1266 2.188,1267 2.182,1268 1.536,1269 2.186,1270 2.072,1271 2.046,1272 2.159,1273 2.163,1274 1.436,1275 2.163,1276 1.881,1277 1.851,1278 2.02,1279 1.973,1280 1.365,1281 1.993,1282 1.759,1283 1.709,1284 1.987,1285 1.923,1286 1.188,1287 1.953,1288 1.753,1289 1.694,1290 1.948,1291 1.872,1292 1.15,1293 1.902,1294 1.516,1295 1.456,1296 1.771,1297 1.726,1298 1.052,1299 1.746,1300 1.451,1301 1.392,1302 1.69,1303 1.601,1304 0.918,1305 1.635,1306 1.291,1307 1.231,1308 1.518,1309 1.487,1310 0.777,1311 1.505,1312 4.554,1314 5.894,1316 7.447,1318 9.113,1320 10.844,1322 2.298,1323 6.381,1328 15.09,1329 7.737,1332 1.201,1340 50.922,1341 107.542,1342 276.436,1343 383.61,1344 456.564,1345 470.564,1346 474.564,1347 59.394,1348 9.622,1349 49.84,1350 49.84,1351 42,1352 13.209,1353 4.585,1354 3.7,1355 54.693,1356 246,1357 173,1358 0.106,1359 307.65,1360 531.41,1361 742.425,1362 314587,1363 1.2,1364 27.761,1365 0.677,1366 0.61,1367 28.261,1368 24.994,1369 20.136,1370 0.428,1371 0.345,1372 15.773,1373 19.569,1374 15.365,1375 12.674,1376 20.425,1377 16.192,1378 18.268,1379 0.273,1380 0.193,1381 18.676,1382 12.963,1383 15.721,1384 0.167,1385 0.103,1386 15.983,1387 9.716,1388 14.457,1389 0.106,1390 0.058,1391 14.691,1392 7.847,1393 12.622,1394 0.067,1395 0.032,1396 12.853,1397 6.045,1398 0.173,1399 125.717,1400 0.175,1401 37.143,1402 0.272,1403 228,1404 456.159,1405 251.068,1406 491.433,1407 698.66,1408 466,1409 275,1410 518.877,1411 293.418,1412 542.439,1413 807.08,1414 517,1415 9.301}
{0 CHEMBL555773,1 1.391,2 10.238,3 3.706,4 13.735,5 84.79,6 6.18,7 0.273,8 3.9,9 4.041,10 3.291,11 3.384,12 4.863,13 3.329,14 4.485,15 4.698,16 3.611,17 3.781,18 5.412,19 3.682,20 4.749,21 5.004,22 3.621,23 3.89,24 5.602,25 3.757,26 4.783,27 5.048,28 3.486,29 3.793,30 5.7,31 3.654,32 4.647,33 4.926,34 3.391,35 3.623,36 5.564,37 3.493,38 4.476,39 4.722,40 3.272,41 3.527,42 5.405,43 3.414,44 4.449,45 4.71,46 3.276,47 3.515,48 5.436,49 3.387,50 4.399,51 4.643,52 3.076,53 3.479,54 5.364,55 3.333,56 0.05,57 0.648,58 11.568,59 4.564,60 7.804,61 6.562,62 0.347,63 1.017,64 20.854,65 7.559,66 25.977,67 11.128,68 0.198,69 1.19,70 26.568,71 9.331,72 25.467,73 13.888,74 0.348,75 1.122,76 27.979,77 8.663,78 46.867,79 13.034,80 0.339,81 0.957,82 24.388,83 7.329,84 40.144,85 11.171,86 0.294,87 0.839,88 20.809,89 6.294,90 32.018,91 9.386,92 0.29,93 0.835,94 19.996,95 6.407,96 37.517,97 9.567,98 0.271,99 0.792,100 19.107,101 6.062,102 39.484,103 9.002,104 25,105 29,106 0.244,107 0.536,108 0.767,109 0.864,110 0.879,111 0.879,112 3.102,113 1.081,114 -4.1,115 -4.04,116 -3.83,121 36.2,122 1,123 6,126 1,127 1,129 1,144 3,145 2,146 1,161 1,165 1,166 1,167 1,176 10,179 3,180 3,185 2,187 11,189 2,192 3,197 3,200 8,203 3,206 8,211 1,214 2,216 1,219 9,221 1,222 1,224 1,229 1,232 5,239 2,244 6,246 2,247 2,251 4,256 2,264 5,274 1,277 7,279 1,281 593,282 14.06,283 14.06,284 14.06,285 14.06,286 14.06,287 13.231,288 17.214,289 8.593,290 14.297,291 10.804,292 10.804,293 10.804,294 10.804,295 10.804,296 9.408,297 21.78,298 4.055,299 11.17,300 4.164,301 2.497,302 1.181,303 0.628,304 0.543,305 0.543,306 3.761,310 1,311 1,312 1,313 446,314 3.742,317 53.507,318 58.776,321 93.255,325 1.773,326 18.429,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 45,338 215,339 4.371,340 3.775,341 6.498,342 4.063,343 3.074,344 3.976,345 2.208,346 10.131,347 3.042,348 3.942,349 3.32,350 5.918,351 3.672,352 2.743,353 3.16,354 0.655,355 8.175,356 2.527,357 3.523,358 2.604,359 5.241,360 3.206,361 2.258,362 2.769,363 0.522,364 6.548,365 2.136,366 3.089,367 2.205,368 4.946,369 2.84,370 1.858,371 2.229,372 0.13,373 5.4,374 1.822,375 2.822,376 2.157,377 4.088,378 2.756,379 1.758,380 1.817,382 3.697,383 1.751,384 2.504,385 1.688,386 3.976,387 2.316,388 1.337,389 1.495,391 3.294,392 1.298,393 2.466,394 1.342,395 3.597,396 2.205,397 1.209,398 1.428,400 2.842,401 1.201,402 1.94,403 1.018,404 3.231,405 1.833,406 0.859,407 0.905,409 1.698,410 0.83,411 1.883,412 0.946,413 2.956,414 1.678,415 0.687,416 0.795,418 1.48,419 0.678,420 1.173,421 0.609,422 2.564,423 1.063,424 0.086,425 0.087,427 0.142,428 0.083,429 1.088,430 0.18,431 2.25,432 0.809,433 -0.16,434 -0.194,436 -0.38,437 -0.153,438 0.623,439 -0.167,440 2,441 0.285,442 -0.684,443 -0.754,445 -1.331,446 -0.655,447 0.578,448 -0.538,449 2,450 0.215,451 -0.759,452 -0.801,454 -1.688,455 -0.733,456 0.246,457 -0.61,458 1.729,459 0.141,460 -0.858,461 -1.158,463 -2.59,464 -0.855,465 -0.012,466 -0.779,467 1.416,468 -0.21,469 -1.19,470 -1.368,472 -2.828,473 -1.156,474 9.967,475 0.475,476 0.473,477 0.023,478 20.75,479 0.988,480 8,481 0.381,482 12.75,483 0.607,484 19.854,485 0.945,486 24.833,487 0.528,488 13.466,489 0.641,490 3.602,491 0.172,492 6.512,493 0.31,494 0.174,496 0.291,501 0.828,502 1.436,503 0.997,504 1.292,505 0.73,506 1.176,507 0.575,508 1.072,509 0.952,510 1.071,511 0.459,512 1.053,513 0.873,514 1.164,515 0.934,516 1.13,517 0.685,518 1.051,519 1.558,520 1.032,521 1.095,522 0.99,523 1.493,524 0.99,525 1.382,526 0.939,527 0.942,528 0.893,529 1.343,530 0.868,531 1.895,532 0.991,533 1.175,534 0.932,535 1.618,536 0.967,537 1.21,538 0.962,539 1,540 0.976,541 1.416,542 0.966,543 1.782,544 1.001,545 1.342,546 1.03,547 2.159,548 1.121,549 4,550 0.057,551 2.444,552 1.354,553 0.928,554 0.483,555 0.392,556 0.29,557 0.12,558 0.07,559 4393,560 8515,561 1.968,562 55.3,563 11,564 9,567 2,569 4,572 1.627,573 1.826,574 3.314,575 0.284,577 1,582 65.367,583 1.391,584 3.058,585 4.374,586 4.927,587 5.012,588 5.012,589 2.761,590 4.107,591 4.358,592 3.487,593 732.327,594 7.446,595 8071.99,597 1,599 1,600 261.066,601 1.461,602 4.311,603 0.182,604 0.006,605 0.084,606 0.048,607 0.04,608 0.023,609 0.021,610 0.015,611 0.008,612 0.007,613 0.435,614 0.67,615 1,616 2.338,617 96.897,618 -0.021,619 -0.092,620 0.037,621 -0.042,622 -0.055,624 0.321,625 0.097,626 0.058,627 0.028,628 0.192,629 0.014,630 0.018,631 -0.136,632 0.043,633 -0.099,634 0.061,635 -0.033,636 -0.148,637 -0.081,638 -0.064,639 -0.044,640 -0.104,641 -0.045,642 -0.001,643 -0.011,644 0.083,645 0.024,647 0.059,648 -0.239,649 -0.014,650 -0.106,651 0.022,652 -0.194,653 -0.022,654 0.051,655 0.032,656 0.022,657 -0.013,658 0.064,659 -0.004,660 -0.302,661 0.007,662 -0.294,663 -0.055,664 -0.253,665 -0.159,666 1.96,667 5.03,668 0.429,669 18.104,670 0.989,671 1.136,672 2.867,673 8.221,674 0.618,675 3.135,676 3.401,677 3.611,678 3.784,679 3.912,680 3.912,681 4.025,682 4.078,683 3.85,684 3.738,685 6.032,686 0.57,687 290.45,688 3.135,689 4.635,690 5.451,691 6.297,692 7.14,693 7.996,694 8.851,695 9.714,696 10.577,697 11.444,698 4.3,699 1,705 1,715 3,720 3,722 6,737 1,741 47,743 7,744 1,745 22,747 48,748 17,749 6,750 3,751 3,756 2,757 3,763 1,767 3,770 7,772 7,773 10,777 1,782 1,786 1,790 1,793 26,794 4,795 2,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,851 1,859 1,864 2,868 21,869 1,876 7,878 1,880 1,881 1,893 4.3,896 1,898 1,901 11.5,902 8.7,903 4.833,904 3.218,907 1.253,908 1.197,909 0.926,910 5.918,911 7.612,912 3.296,913 3.75,914 4.193,915 4.638,916 5.084,917 5.21,918 5.475,919 5.629,920 5.334,921 5.149,922 0.857,923 28,924 7.818,926 3.184,927 0.026,929 7.643,931 15.335,933 12.391,936 2.143,937 45,938 0.001,941 282.506,942 81.34,943 36.022,945 36.145,948 81.34,949 318.651,950 36.022,951 17.222,952 53.334,953 28.429,954 25.145,955 22.614,956 6.763,957 282.506,959 282.506,960 117.362,961 36.145,964 235.422,965 83.229,968 62.16,969 55.202,972 282.506,973 72.166,974 81.34,977 282.506,978 35.69,979 48.775,981 69.042,982 282.506,983 72.166,984 81.34,986 0.565,987 0.323,988 0.158,989 0.081,990 12,991 6,992 0.146,993 7,994 1,995 1.222,996 3.385,997 145.769,998 0.222,999 9,1000 92.239,1005 16.155,1006 7.692,1007 4.371,1009 72.166,1010 5.793,1015 2.984,1017 32.897,1018 436.013,1019 26,1024 12.03,1028 -0.294,1031 46.461,1032 53.398,1034 0.25,1035 0.55,1036 0.787,1037 0.887,1038 0.902,1039 0.902,1040 4.516,1041 0.859,1042 5.416,1043 2.842,1044 4.078,1045 4.431,1046 2.372,1047 6.176,1048 4.012,1049 5.66,1050 0.687,1051 6.95,1052 1.698,1053 3.611,1054 4.182,1055 1.847,1056 7.002,1057 3.489,1058 6.932,1059 0.086,1060 8.588,1061 1.48,1062 5.617,1063 6.446,1064 3.532,1065 10.08,1066 5.482,1067 8.241,1068 -0.16,1069 10.286,1070 0.142,1071 5.994,1072 7.031,1073 3.656,1074 11.757,1075 5.814,1076 9.588,1077 -0.684,1078 12.024,1079 -0.38,1080 7.458,1081 8.809,1082 4.956,1083 14.338,1084 7.268,1085 10.959,1086 -0.759,1087 13.789,1088 -1.331,1089 8.227,1090 9.77,1091 5.37,1092 16.37,1093 8.01,1094 12.35,1095 -0.858,1096 15.573,1097 -1.688,1098 9.472,1099 11.35,1100 6.458,1101 18.774,1102 9.246,1103 3.074,1104 -1.19,1105 17.372,1106 -2.59,1107 10.423,1108 12.498,1109 7.028,1110 20.961,1111 10.183,1112 2.743,1113 10.131,1114 19.182,1115 -2.828,1116 11.58,1117 13.985,1118 7.994,1119 23.301,1120 11.334,1121 2.258,1122 8.175,1123 21,1124 3.976,1125 12.615,1126 15.234,1127 8.654,1128 25.556,1129 12.362,1130 1.858,1131 6.548,1132 22.827,1133 3.16,1134 13.739,1135 16.672,1136 9.549,1137 27.874,1138 13.48,1139 1.758,1140 5.4,1141 24.659,1142 2.769,1143 14.812,1144 17.977,1145 10.263,1146 30.16,1147 14.55,1148 1.337,1149 3.697,1150 26.496,1151 2.229,1152 15.925,1153 19.39,1154 11.116,1155 32.472,1156 15.659,1157 1.209,1158 3.294,1159 28.337,1160 1.817,1161 17.017,1162 20.727,1163 11.862,1164 34.772,1165 16.748,1166 4498,1167 6412,1168 14.216,1169 29.057,1170 31.806,1171 32.892,1172 33.447,1173 31.809,1174 31.739,1175 37.321,1176 7.029,1177 86.815,1178 30.734,1179 5.306,1180 5.775,1181 6.434,1182 5.145,1183 5.074,1184 6.976,1185 3.912,1186 16.656,1187 5.042,1188 11.402,1189 1.446,1190 1.495,1191 1.52,1192 1.446,1193 1.443,1194 1.696,1195 0.319,1196 3.946,1197 1.397,1198 4.027,1199 4.055,1200 3.966,1201 3.958,1202 7.433,1203 3.956,1204 3.782,1205 3.848,1206 3.65,1207 3.633,1208 5.035,1209 3.62,1210 3.605,1211 3.665,1212 3.478,1213 3.389,1214 4.742,1215 3.403,1216 3.457,1217 3.519,1218 3.315,1219 3.31,1220 4.279,1221 3.301,1222 3.28,1223 3.362,1224 3.091,1225 3.067,1226 4.179,1227 3.064,1228 3.07,1229 3.162,1230 2.896,1231 2.88,1232 4.044,1233 2.873,1234 2.936,1235 2.994,1236 2.748,1237 2.649,1238 3.763,1239 2.657,1240 2.871,1241 2.977,1242 2.543,1243 2.62,1244 3.704,1245 2.602,1246 0.199,1247 0.172,1248 0.295,1249 0.185,1250 0.14,1251 4.371,1252 0.181,1253 3.775,1254 0.1,1255 6.498,1256 0.46,1257 4.063,1258 0.138,1259 3.074,1260 3.976,1261 2.208,1262 10.131,1263 3.042,1264 1.892,1265 1.874,1266 2.027,1267 1.991,1268 1.358,1269 1.992,1270 1.77,1271 1.705,1272 1.983,1273 1.938,1274 1.175,1275 1.963,1276 1.579,1277 1.513,1278 1.828,1279 1.786,1280 1.142,1281 1.798,1282 1.543,1283 1.47,1284 1.82,1285 1.77,1286 1.057,1287 1.794,1288 1.284,1289 1.21,1290 1.619,1291 1.54,1292 0.739,1293 1.571,1294 1.098,1295 1.038,1296 1.368,1297 1.359,1298 0.535,1299 1.363,1300 0.925,1301 0.809,1302 1.355,1303 1.205,1304 0.469,1305 1.267,1306 0.839,1307 0.793,1308 1.1,1309 1.161,1310 0.231,1311 1.13,1312 3.807,1314 5.081,1315 2.398,1316 6.541,1317 4.727,1318 8.091,1319 6.804,1320 9.695,1322 3.962,1326 6.049,1328 7.32,1330 5.438,1332 0.074,1333 1.642,1340 26.794,1341 65.367,1342 143.708,1343 205.582,1344 231.556,1345 235.556,1346 235.556,1347 41.021,1348 6.36,1349 55.56,1350 55.56,1351 11,1352 11.991,1353 3,1354 2.322,1355 39.573,1356 75,1357 90,1358 0.259,1359 168.925,1360 296.06,1361 403.937,1362 4206,1364 15.242,1365 0.726,1366 0.624,1367 15.242,1368 13.1,1369 10.113,1370 0.46,1371 0.36,1372 7.842,1373 9.785,1374 7.604,1375 6.408,1376 10.113,1377 7.928,1378 8.697,1379 0.3,1380 0.202,1381 8.697,1382 5.856,1383 7.07,1384 0.196,1385 0.114,1386 7.07,1387 4.105,1388 5.255,1389 0.122,1390 0.063,1391 5.255,1392 2.722,1393 3.97,1394 0.081,1395 0.034,1396 3.97,1397 1.675,1398 0.412,1399 63.022,1400 0.265,1401 21.286,1402 0.687,1403 102,1404 264.428,1405 111.862,1406 253.099,1407 342.71,1408 236,1409 116,1410 251.008,1411 125.311,1412 253.399,1413 368.99,1414 237,1415 6.276}
{0 CHEMBL555919,1 1.489,2 7.684,3 3.089,4 9.542,5 74.069,6 6.982,7 0.3,8 3.686,9 3.81,10 3.193,11 3.186,12 4.792,13 3.162,14 4.228,15 4.423,16 3.519,17 3.555,18 5.285,19 3.504,20 4.422,21 4.618,22 3.565,23 3.679,24 5.449,25 3.602,26 4.55,27 4.771,28 3.506,29 3.641,30 5.586,31 3.567,32 4.391,33 4.605,34 3.405,35 3.592,36 5.404,37 3.501,38 4.35,39 4.572,40 3.38,41 3.537,42 5.475,43 3.443,44 4.314,45 4.558,46 3.062,47 3.436,48 5.372,49 3.292,50 4.207,51 4.499,52 2.458,53 3.184,54 5.107,55 2.943,56 0.015,57 0.518,58 8.1,59 3.333,60 8.137,61 4.545,62 0.33,63 0.815,64 15.351,65 5.233,66 25.375,67 7.528,68 0.083,69 0.937,70 18.403,71 7.031,72 23.554,73 9.72,74 0.411,75 0.946,76 22.702,77 7.148,78 53.487,79 9.7,80 0.206,81 0.878,82 18.506,83 6.468,84 29.622,85 8.989,86 0.232,87 0.846,88 17.75,89 6.249,90 36.044,91 8.778,92 0.213,93 0.792,94 17.394,95 5.883,96 45.394,97 8.451,98 0.184,99 0.678,100 15.951,101 5.225,102 34.563,103 7.899,104 29,105 27,106 0.273,107 0.649,108 0.814,109 0.838,110 0.838,111 0.838,112 3.011,113 0.946,114 -3.52,115 -3.49,116 -3.34,121 40.5,123 2,126 2,127 1,129 1,142 1,143 1,144 3,145 2,146 1,161 1,176 7,179 3,180 2,185 3,187 8,192 2,197 3,200 4,206 7,209 1,211 2,214 5,219 4,224 1,227 4,232 7,235 2,239 4,244 1,251 3,256 2,264 1,269 2,281 453,282 12.698,283 12.698,284 12.698,285 12.698,286 12.698,287 11.634,288 17.029,289 7.68,290 12.974,291 9.821,292 9.821,293 9.821,294 9.821,295 9.821,296 8.054,297 19.642,298 3.565,299 10.238,300 3.721,301 1.665,302 0.764,303 0.635,304 0.635,305 0.635,306 3.665,310 1,311 1,312 1,313 293,314 3.464,317 38.656,318 48.946,321 73.968,325 1.247,326 17.648,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 41,338 146,339 4.477,340 3.778,341 6.805,342 4.169,343 3.189,344 4.09,345 2.208,346 11.242,347 3.126,348 3.863,349 3.422,350 5.781,351 3.582,352 2.65,353 3.055,354 0.911,355 7.665,356 2.446,357 3.512,358 2.586,359 5.19,360 3.083,361 2.13,362 2.542,363 0.655,364 6.12,365 2.03,366 3.325,367 2.395,368 5.122,369 2.955,370 1.985,371 2.415,372 0.44,373 5.952,374 1.919,375 3.208,376 2.136,377 3.962,378 2.439,379 1.458,380 2.027,381 0.13,382 3.046,383 1.427,384 2.628,385 1.976,386 3.585,387 2.157,388 1.175,389 1.581,391 2.594,392 1.152,393 2.319,394 1.291,395 3.438,396 2.039,397 1.081,398 1.223,400 2.478,401 1.019,402 1.977,403 1.121,404 3.231,405 1.759,406 0.768,407 0.869,409 1.752,410 0.756,411 1.728,412 0.693,413 2.532,414 1.185,415 0.227,416 0.303,418 0.381,419 0.216,420 1.199,421 0.417,422 2.386,423 0.772,424 -0.198,425 -0.258,427 -0.473,428 -0.189,429 0.661,430 -0.266,431 2.193,432 0.272,433 -0.707,434 -0.917,436 -1.483,437 -0.69,438 0.538,439 -0.434,440 2,441 0.087,442 -0.911,443 -1,445 -2,446 -0.895,447 0.144,448 -0.6,449 1.747,450 -0.1,451 -1,452 -1.209,454 -2.292,455 -0.9,457 -0.857,458 1.4,459 -0.166,460 -1.157,461 -1.479,463 -2.607,464 -1.144,465 -0.235,466 -0.929,467 1.156,468 -0.481,469 -1.452,470 -1.805,472 -3.925,473 -1.421,474 8.967,475 0.472,476 0.456,477 0.024,478 22,479 1.158,480 10,481 0.526,482 12,483 0.632,484 14.463,485 0.761,486 21.033,487 0.568,488 15.458,489 0.814,490 4.541,491 0.239,492 4.589,493 0.242,494 0.204,496 0.323,501 0.805,502 1.438,503 0.847,504 1.202,505 0.63,506 1.051,507 0.708,508 0.846,509 0.875,510 0.819,511 0.47,512 0.843,513 0.92,514 1.316,515 0.971,516 1.29,517 0.704,518 1.163,519 1.811,520 0.852,521 1.12,522 0.827,523 1.554,524 0.876,525 1.293,526 1.092,527 1.094,528 1.045,529 1.031,530 1.045,531 1.003,532 1.044,533 1.012,534 1.066,535 1.283,536 1.048,537 1.181,538 1.055,539 1.237,540 1.091,541 1.553,542 1.159,543 0.875,544 1.051,545 1.296,546 1.18,547 0.933,548 1.274,549 3.5,551 2.222,552 1.285,553 0.778,554 0.597,555 0.524,556 0.274,557 0.094,558 0.04,559 2767,560 7509,561 1.965,562 48.6,563 2,564 12,565 1,567 1,569 2,572 1.609,573 1.81,574 2.943,575 -0.301,577 1,579 1,582 55.088,583 1.489,584 3.544,585 4.446,586 4.574,587 4.574,588 4.574,589 2.431,590 3.932,591 4.213,592 3.058,593 522.891,594 7.209,595 5125.86,596 1,597 1,599 1,600 192.75,601 1.509,602 4.159,603 0.175,605 0.082,606 0.048,607 0.031,608 0.026,609 0.024,610 0.018,611 0.016,612 0.01,613 0.43,614 0.67,615 1,616 1.722,617 81.539,618 -0.022,619 -0.226,620 0.048,621 -0.11,622 -0.028,623 -0.034,624 0.278,625 0.291,626 0.086,627 0.166,628 0.154,629 0.116,631 -0.29,632 -0.029,633 -0.262,634 0.039,635 -0.165,636 -0.21,637 0.081,638 -0.072,639 0.118,640 -0.201,641 0.05,642 -0.165,643 -0.095,644 -0.116,645 -0.055,646 -0.102,647 -0.077,648 0.033,649 -0.039,650 -0.04,651 -0.085,652 -0.05,653 -0.08,654 -0.193,655 -0.079,656 -0.266,657 -0.131,658 -0.175,659 -0.198,660 -0.135,661 -0.125,662 -0.338,663 -0.257,664 -0.072,665 -0.313,666 2.031,667 4.684,668 0.474,669 13.501,670 0.998,671 1.128,672 2.289,673 5.238,674 0.649,675 3.045,676 3.332,677 3.584,678 3.829,679 4.007,680 4.078,681 4.127,682 4.094,683 3.871,684 3.689,685 4.702,686 0.613,687 258.35,688 3.045,689 4.554,690 5.389,691 6.26,692 7.128,693 8.013,694 8.894,695 9.785,696 10.672,697 11.566,698 5.4,700 1,705 1,715 3,720 3,722 6,737 1,741 37,743 8,744 1,745 20,747 38,748 15,749 6,750 3,751 3,756 2,757 3,767 3,770 3,771 2,772 7,773 6,777 1,782 1,786 1,789 1,790 1,793 18,794 4,795 1,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,836 1,837 1,853 1,859 1,864 2,868 19,876 3,877 1,878 1,880 1,881 1,885 1,886 1,891 1,893 5.4,896 1,898 1,901 10.5,902 7.2,903 4.361,904 2.131,907 1.549,908 1.246,909 0.93,910 4.336,911 7.842,912 3.296,913 3.75,914 4.216,915 4.69,916 5.147,917 5.326,918 5.556,919 5.752,920 5.641,921 5.636,922 1,923 27,924 7,926 2.846,927 0.026,929 7.816,931 13.334,933 10.538,936 2.316,937 44,938 0.001,941 200.109,942 111.125,943 21.135,945 36.145,948 111.125,949 236.254,950 21.135,951 16.793,952 10.299,953 46.439,954 25.145,955 22.614,956 58.885,957 188.338,959 200.109,960 132.26,961 36.145,964 176.567,965 59.687,968 28.31,969 86.92,970 17.031,972 200.109,973 57.28,974 111.125,977 200.109,978 25.552,979 48.346,980 35.041,981 59.466,982 200.109,983 57.28,984 111.125,986 0.567,987 0.329,988 0.17,989 0.099,990 12,991 6,992 0.105,993 4,994 1,995 1.222,996 3.047,997 134.063,998 0.222,999 9,1000 78.711,1005 13.762,1006 5.987,1007 3.022,1009 57.28,1010 5.816,1015 2.912,1017 18.011,1018 368.514,1019 26,1024 11.684,1028 -0.365,1031 36.927,1032 41.737,1034 0.286,1035 0.68,1036 0.853,1037 0.878,1038 0.878,1039 0.878,1040 4.538,1041 0.768,1042 5.371,1043 2.478,1044 4.007,1045 4.431,1046 2.503,1047 6.184,1048 3.929,1049 5.721,1050 0.227,1051 6.934,1052 1.752,1053 3.611,1054 4.182,1055 1.847,1056 7.149,1057 3.489,1058 7.012,1059 -0.198,1060 8.606,1061 0.381,1062 5.587,1063 6.479,1064 3.569,1065 10.267,1066 5.437,1067 8.338,1068 -0.707,1069 10.343,1070 -0.473,1071 6.043,1072 7.089,1073 3.656,1074 12.115,1075 5.863,1076 9.697,1077 -0.911,1078 12.121,1079 -1.483,1080 7.496,1081 8.883,1082 4.964,1083 14.76,1084 7.294,1085 11.08,1086 -1,1087 13.928,1088 -2,1089 8.336,1090 9.898,1091 5.37,1092 16.96,1093 8.116,1094 12.483,1095 -1.157,1096 15.757,1097 -2.292,1098 9.592,1099 11.489,1100 6.459,1101 19.454,1102 9.354,1103 3.189,1104 -1.452,1105 17.603,1106 -2.607,1107 10.606,1108 12.7,1109 7.028,1110 21.792,1111 10.355,1112 2.65,1113 11.242,1114 19.461,1115 -3.925,1116 11.789,1117 14.199,1118 7.994,1119 24.235,1120 11.524,1121 2.13,1122 7.665,1123 21.33,1124 4.09,1125 12.88,1126 15.507,1127 8.654,1128 26.624,1129 12.602,1130 1.985,1131 6.12,1132 23.207,1133 3.055,1134 14.038,1135 16.963,1136 9.549,1137 29.052,1138 13.747,1139 1.458,1140 5.952,1141 25.092,1142 2.542,1143 15.163,1144 18.318,1145 10.263,1146 31.46,1147 14.858,1148 1.175,1149 3.046,1150 26.982,1151 2.415,1152 16.316,1153 19.752,1154 11.116,1155 33.882,1156 15.997,1157 1.081,1158 2.594,1159 28.877,1160 2.027,1161 17.456,1162 21.132,1163 11.862,1164 36.297,1165 17.123,1166 2929,1167 4889,1168 12.83,1169 24.012,1170 30.673,1171 30.73,1172 31.028,1173 29.366,1174 29.325,1175 36.21,1176 8.689,1177 82.46,1178 28.185,1179 5.366,1180 5.778,1181 6.667,1182 5.233,1183 5.189,1184 7.09,1185 3.912,1186 18.136,1187 5.126,1188 10.597,1189 1.534,1190 1.537,1191 1.551,1192 1.468,1193 1.466,1194 1.811,1195 0.434,1196 4.123,1197 1.409,1198 4.033,1199 4.061,1200 3.976,1201 3.962,1202 7.433,1203 3.961,1204 3.637,1205 3.699,1206 3.551,1207 3.442,1208 5.432,1209 3.443,1210 3.562,1211 3.624,1212 3.456,1213 3.345,1214 4.809,1215 3.376,1216 3.378,1217 3.436,1218 3.242,1219 3.269,1220 4.306,1221 3.256,1222 3.083,1223 3.115,1224 2.958,1225 2.883,1226 4.174,1227 2.891,1228 2.907,1229 3.009,1230 2.756,1231 2.625,1232 4.065,1233 2.655,1234 2.874,1235 2.967,1236 2.525,1237 2.618,1238 3.754,1239 2.57,1240 2.671,1241 2.735,1242 2.499,1243 2.449,1244 3.467,1245 2.458,1246 0.224,1247 0.189,1248 0.34,1249 0.208,1250 0.159,1251 4.477,1252 0.205,1253 3.778,1254 0.11,1255 6.805,1256 0.562,1257 4.169,1258 0.156,1259 3.189,1260 4.09,1261 2.208,1262 11.242,1263 3.126,1264 1.893,1265 1.876,1266 1.987,1267 1.987,1268 1.188,1269 1.984,1270 1.636,1271 1.575,1272 1.855,1273 1.823,1274 1.174,1275 1.838,1276 1.516,1277 1.443,1278 1.783,1279 1.809,1280 0.834,1281 1.803,1282 1.427,1283 1.374,1284 1.653,1285 1.577,1286 0.729,1287 1.607,1288 1.068,1289 1.012,1290 1.417,1291 1.246,1292 0.469,1293 1.308,1294 0.934,1295 0.87,1296 1.306,1297 1.239,1298 0.463,1299 1.262,1300 0.888,1301 0.804,1302 1.064,1303 1.216,1304 0.113,1305 1.168,1306 0.672,1307 0.574,1308 1.027,1309 0.925,1311 0.966,1312 3.714,1314 5.004,1315 2.398,1316 6.491,1317 4.727,1318 8.077,1319 6.843,1320 9.723,1322 3.332,1328 2.471,1329 3.289,1330 5.424,1332 0.164,1333 1.415,1337 5.281,1339 2.577,1340 22.687,1341 55.088,1342 131.134,1343 164.485,1344 169.24,1345 169.24,1346 169.24,1347 31.348,1348 6.293,1349 41.57,1350 41.57,1351 11,1352 12.094,1353 3.17,1354 2.807,1355 33.413,1356 51,1357 62,1358 0.328,1359 143.885,1360 256.18,1361 342.841,1362 3597,1364 13.828,1365 0.728,1366 0.593,1367 13.828,1368 11.272,1369 9.13,1370 0.457,1371 0.315,1372 6.209,1373 8.764,1374 5.984,1375 5.026,1376 9.13,1377 6.309,1378 7.965,1379 0.295,1380 0.177,1381 7.965,1382 4.768,1383 6.432,1384 0.184,1385 0.092,1386 6.432,1387 3.22,1388 4.967,1389 0.11,1390 0.051,1391 4.967,1392 2.308,1393 3.988,1394 0.074,1395 0.028,1396 3.988,1397 1.517,1398 0.492,1399 57.373,1400 0.279,1401 18.738,1402 0.965,1403 94,1404 281.449,1405 104.222,1406 271.051,1407 362.91,1408 252,1409 109,1410 260.43,1411 119.142,1412 265.654,1413 384.54,1414 246,1415 5.602}
{0 CHEMBL556028,1 1.373,2 12,3 5.33,4 28.41,5 97.144,6 6.317,7 0.24,8 3.995,9 4.131,10 3.408,11 3.497,12 4.986,13 3.442,14 4.573,15 4.786,16 3.704,17 3.873,18 5.5,19 3.777,20 4.83,21 5.081,22 3.737,23 3.999,24 5.678,25 3.87,26 4.891,27 5.149,28 3.668,29 3.967,30 5.784,31 3.835,32 4.815,33 5.081,34 3.628,35 3.89,36 5.723,37 3.76,38 4.697,39 4.943,40 3.543,41 3.815,42 5.651,43 3.694,44 4.649,45 4.901,46 3.491,47 3.744,48 5.637,49 3.618,50 4.553,51 4.797,52 3.326,53 3.652,54 5.551,55 3.519,56 0.05,57 0.71,58 12.422,59 5.016,60 9.21,61 7.139,62 0.37,63 1.132,64 22.624,65 8.072,66 28.554,67 11.939,68 0.208,69 1.344,70 28.798,71 10.422,72 29.648,73 15.3,74 0.361,75 1.337,76 31.185,77 10.316,78 48.299,79 15.098,80 0.349,81 1.237,82 28.808,83 9.664,84 41.143,85 14.188,86 0.3,87 1.116,88 25.709,89 8.669,90 39.565,91 12.523,92 0.337,93 1.059,94 24.51,95 8.261,96 41.497,97 11.957,98 0.269,99 0.961,100 22.266,101 7.391,102 46.578,103 10.732,104 34,105 32,106 0.233,107 0.553,108 0.788,109 0.873,110 0.886,111 0.886,112 3.227,113 1.066,114 -4.71,115 -4.62,116 -4.35,121 38.5,122 1,123 6,126 1,127 2,129 1,142 1,143 1,144 3,145 2,146 1,161 1,176 11,179 3,180 3,185 3,187 11,192 3,197 4,200 8,206 8,211 1,214 4,219 9,222 1,224 1,227 5,232 5,239 6,244 7,247 2,251 6,256 3,264 6,269 2,274 1,277 7,281 910,282 16.345,283 16.345,284 16.345,285 16.345,286 16.345,287 15.308,288 20.096,289 10.249,290 16.628,291 12.28,292 12.28,293 12.28,294 12.28,295 12.28,296 10.537,297 24.298,298 4.807,299 12.717,300 4.328,301 2.445,302 1.067,303 0.567,304 0.491,305 0.491,306 3.892,311 1,312 1,313 586,314 4.123,317 61.813,318 68.716,321 108.765,325 1.833,326 19.471,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 51,338 288,339 4.382,340 3.775,341 6.547,342 4.083,343 3.096,344 3.981,345 2.208,346 10.365,347 3.058,348 3.944,349 3.358,350 5.919,351 3.674,352 2.747,353 3.163,354 0.911,355 8.184,356 2.529,357 3.556,358 2.65,359 5.274,360 3.234,361 2.285,362 2.779,363 0.655,364 6.634,365 2.164,366 3.481,367 2.491,368 5.093,369 2.943,370 1.977,371 2.33,372 0.44,373 5.914,374 1.906,375 3.141,376 2.199,377 4.177,378 2.758,379 1.76,380 2.006,381 0.13,382 3.728,383 1.754,384 2.822,385 2.127,386 3.998,387 2.438,388 1.456,389 1.816,391 3.494,392 1.427,393 2.579,394 1.688,395 3.599,396 2.312,397 1.332,398 1.526,400 2.875,401 1.293,402 2.482,403 1.375,404 3.451,405 2.185,406 1.19,407 1.435,409 2.561,410 1.182,411 2.025,412 1.022,413 3.203,414 1.836,415 0.862,416 0.928,418 1.694,419 0.833,420 1.905,421 0.987,422 2.957,423 1.711,424 0.722,425 0.837,427 1.489,428 0.711,429 1.696,430 0.664,431 2.568,432 1.17,433 0.207,434 0.274,436 0.356,437 0.199,438 1.143,439 0.414,440 2.436,441 1.056,442 0.075,443 0.077,445 0.122,446 0.074,447 1.087,448 0.176,449 2.224,450 0.737,451 -0.233,452 -0.296,454 -0.538,455 -0.222,456 0.618,457 -0.276,458 2,459 0.215,460 -0.756,461 -0.759,463 -1.331,464 -0.73,465 0.578,466 -0.519,467 1.946,468 0.205,469 -0.776,470 -1.004,472 -1.675,473 -0.754,474 11.467,475 0.478,476 0.435,477 0.018,478 24.5,479 1.021,480 10,481 0.417,482 14.5,483 0.604,484 22.839,485 0.952,486 27.533,487 0.529,488 16.993,489 0.708,490 4.487,491 0.187,492 7.165,493 0.299,494 0.16,496 0.253,501 0.804,502 1.454,503 0.967,504 1.273,505 0.625,506 1.154,507 0.676,508 1.072,509 0.989,510 1.042,511 0.449,512 1.038,513 0.904,514 1.16,515 0.94,516 1.107,517 0.652,518 1.037,519 1.56,520 0.982,521 1.075,522 0.949,523 1.387,524 0.958,525 1.289,526 0.946,527 0.956,528 0.922,529 1.271,530 0.906,531 1.633,532 0.982,533 1.087,534 0.951,535 1.488,536 0.962,537 1.384,538 0.959,539 1.044,540 0.982,541 1.526,542 0.98,543 1.708,544 1.04,545 1.212,546 1.034,547 1.955,548 1.065,549 4,550 0.074,551 2.444,552 1.354,553 1.053,554 0.591,555 0.508,556 0.365,557 0.19,558 0.11,559 6254,560 13152,561 1.972,562 53.8,563 11,564 11,565 1,567 1,569 4,572 1.667,573 1.846,574 3.531,575 -0.383,582 71.378,583 1.373,584 3.255,585 4.633,586 5.133,587 5.21,588 5.21,589 3.054,590 4.418,591 4.546,592 3.665,593 1011.46,594 7.84,595 12411.2,600 296.423,601 1.384,602 4.513,603 0.16,604 0.005,605 0.076,606 0.042,607 0.036,608 0.021,609 0.02,610 0.015,611 0.009,612 0.007,613 0.393,614 0.33,615 1,616 2.473,617 116.549,618 0.008,619 -0.176,620 0.044,621 -0.083,622 0.009,623 -0.026,624 0.301,625 0.076,626 0.022,627 0.004,628 0.173,629 -0.013,630 0.02,631 -0.14,632 0.042,633 -0.095,634 0.063,635 -0.032,636 -0.147,637 -0.013,638 -0.046,639 0.008,640 -0.105,641 -0.006,642 0.001,643 0.017,644 0.06,645 0.034,646 -0.035,647 0.051,648 -0.165,649 0.002,650 -0.05,651 0.025,652 -0.159,653 0.003,654 0.012,655 0.026,656 -0.014,657 -0.018,658 -0.06,659 -0.021,660 -0.211,661 -0.048,662 -0.171,663 -0.065,664 -0.151,665 -0.107,666 1.961,667 5.191,668 0.375,669 24.813,670 0.987,671 1.131,672 3.479,673 12.101,674 0.631,675 3.258,676 3.497,677 3.714,678 3.912,679 4.078,680 4.143,681 4.263,682 4.344,683 4.205,684 4.174,685 6.704,686 0.583,687 328.5,688 3.258,689 4.745,690 5.557,691 6.399,692 7.242,693 8.1,694 8.959,695 9.825,696 10.694,697 11.566,698 3.8,700 1,705 1,715 3,720 3,722 6,737 1,741 52,743 8,744 1,745 25,747 53,748 20,749 6,750 3,751 3,756 2,757 3,763 1,767 3,770 7,771 2,772 7,773 11,777 1,782 1,786 1,793 28,794 4,795 1,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,836 1,837 1,853 1,859 1,864 2,868 24,876 8,877 1,878 1,880 1,881 1,885 1,886 1,891 1,893 3.8,896 1,898 1,901 13,902 9.7,903 5.667,904 3.524,907 1.437,908 1.215,909 0.922,910 7.461,911 8.129,912 3.466,913 3.861,914 4.28,915 4.722,916 5.184,917 5.374,918 5.67,919 5.912,920 5.786,921 5.871,922 1,923 32,924 8.905,926 3.571,927 0.026,929 7.646,931 17.416,933 13.855,936 2.146,937 51.5,941 317.82,942 123.798,943 21.135,945 36.145,948 123.798,949 353.965,950 21.135,951 17.222,952 22.543,953 46.439,954 25.145,955 22.614,956 58.885,957 306.049,959 317.82,960 144.933,961 36.145,964 270.735,965 83.229,968 49.379,969 78.523,970 17.031,972 317.82,973 57.28,974 123.798,977 317.82,978 37.796,979 48.775,980 35.041,981 59.466,982 317.82,983 57.28,984 123.798,986 0.55,987 0.313,988 0.16,989 0.089,990 12,991 6,992 0.17,993 9,994 1,995 1.222,996 3.672,997 174.645,998 0.222,999 9,1000 110.039,1005 18.673,1006 9.589,1007 5.442,1009 57.28,1010 5.904,1015 3.104,1017 18.011,1018 498.897,1019 31,1024 12.191,1028 -0.294,1031 51.345,1032 58.813,1034 0.241,1035 0.571,1036 0.813,1037 0.9,1038 0.914,1039 0.914,1040 4.687,1041 1.19,1042 5.501,1043 2.875,1044 4.174,1045 4.543,1046 2.503,1047 6.252,1048 4.106,1049 5.83,1050 0.862,1051 7.022,1052 2.561,1053 3.611,1054 4.182,1055 1.847,1056 7.066,1057 3.489,1058 7.095,1059 0.722,1060 8.65,1061 1.694,1062 5.694,1063 6.517,1064 3.569,1065 10.164,1066 5.552,1067 8.394,1068 0.207,1069 10.344,1070 1.489,1071 6.019,1072 7.04,1073 3.656,1074 11.86,1075 5.835,1076 9.729,1077 0.075,1078 12.081,1079 0.356,1080 7.521,1081 8.844,1082 4.964,1083 14.453,1084 7.322,1085 11.087,1086 -0.233,1087 13.847,1088 0.122,1089 8.267,1090 9.78,1091 5.37,1092 16.512,1093 8.044,1094 12.465,1095 -0.756,1096 15.634,1097 -0.538,1098 9.532,1099 11.369,1100 6.459,1101 18.932,1102 9.296,1103 3.096,1104 -0.776,1105 17.436,1106 -1.331,1107 10.477,1108 12.51,1109 7.028,1110 21.147,1111 10.228,1112 2.747,1113 10.365,1114 19.251,1115 -1.675,1116 11.646,1117 13.999,1118 7.994,1119 23.508,1120 11.387,1121 2.285,1122 8.184,1123 21.075,1124 3.981,1125 12.682,1126 15.246,1127 8.654,1128 25.79,1129 12.417,1130 1.977,1131 6.634,1132 22.907,1133 3.163,1134 13.814,1135 16.686,1136 9.549,1137 28.131,1138 13.542,1139 1.76,1140 5.914,1141 24.745,1142 2.779,1143 14.893,1144 17.992,1145 10.263,1146 30.443,1147 14.616,1148 1.456,1149 3.728,1150 26.588,1151 2.33,1152 16.013,1153 19.405,1154 11.116,1155 32.779,1156 15.73,1157 1.332,1158 3.494,1159 28.436,1160 2.006,1161 17.112,1162 20.743,1163 11.862,1164 35.104,1165 16.825,1166 6444,1167 9496,1168 16.296,1169 32.819,1170 36.748,1171 36.898,1172 37.249,1173 35.474,1174 35.418,1175 42.3,1176 8.689,1177 94.832,1178 34.258,1179 5.317,1180 5.775,1181 6.484,1182 5.165,1183 5.096,1184 6.981,1185 3.912,1186 17.023,1187 5.058,1188 12.795,1189 1.47,1190 1.476,1191 1.49,1192 1.419,1193 1.417,1194 1.692,1195 0.348,1196 3.793,1197 1.37,1198 4.033,1199 4.063,1200 3.972,1201 3.963,1202 7.433,1203 3.961,1204 3.782,1205 3.848,1206 3.652,1207 3.633,1208 5.432,1209 3.62,1210 3.619,1211 3.675,1212 3.504,1213 3.447,1214 4.811,1215 3.452,1216 3.548,1217 3.615,1218 3.426,1219 3.37,1220 4.336,1221 3.377,1222 3.396,1223 3.448,1224 3.259,1225 3.276,1226 4.227,1227 3.264,1228 3.272,1229 3.354,1230 3.083,1231 3.065,1232 4.094,1233 3.061,1234 3.023,1235 3.082,1236 2.875,1237 2.867,1238 3.976,1239 2.86,1240 2.924,1241 2.994,1242 2.746,1243 2.649,1244 3.758,1245 2.658,1246 0.175,1247 0.151,1248 0.262,1249 0.163,1250 0.124,1251 4.382,1252 0.159,1253 3.775,1254 0.088,1255 6.547,1256 0.415,1257 4.083,1258 0.122,1259 3.096,1260 3.981,1261 2.208,1262 10.365,1263 3.058,1264 1.894,1265 1.876,1266 2.027,1267 1.994,1268 1.358,1269 1.994,1270 1.77,1271 1.705,1272 1.985,1273 1.94,1274 1.187,1275 1.966,1276 1.636,1277 1.575,1278 1.855,1279 1.824,1280 1.174,1281 1.838,1282 1.544,1283 1.471,1284 1.82,1285 1.784,1286 1.057,1287 1.798,1288 1.43,1289 1.379,1290 1.653,1291 1.582,1292 0.741,1293 1.611,1294 1.281,1295 1.207,1296 1.618,1297 1.532,1298 0.726,1299 1.566,1300 1.065,1301 1.017,1302 1.367,1303 1.285,1304 0.535,1305 1.279,1306 0.925,1307 0.809,1308 1.281,1309 1.203,1310 0.442,1311 1.263,1312 3.932,1314 5.187,1315 2.398,1316 6.632,1317 4.727,1318 8.174,1319 6.823,1320 9.775,1322 3.969,1328 7.911,1329 3.344,1330 5.53,1332 0.251,1333 1.65,1337 5.327,1339 2.613,1340 30.321,1341 71.378,1342 169.262,1343 240.939,1344 266.913,1345 270.913,1346 270.913,1347 49.286,1348 6.692,1349 41.57,1350 41.57,1351 11,1352 12.109,1353 3.17,1354 2.807,1355 48.642,1356 94,1357 116,1358 0.251,1359 191.847,1360 342.68,1361 459.867,1362 6544,1364 17.364,1365 0.723,1366 0.617,1367 17.364,1368 14.807,1369 11.651,1370 0.466,1371 0.355,1372 8.783,1373 11.289,1374 8.516,1375 7.177,1376 11.651,1377 8.879,1378 9.622,1379 0.301,1380 0.2,1381 9.622,1382 6.387,1383 7.788,1384 0.195,1385 0.113,1386 7.788,1387 4.51,1388 5.912,1389 0.121,1390 0.063,1391 5.912,1392 3.084,1393 4.597,1394 0.079,1395 0.034,1396 4.597,1397 1.971,1398 0.402,1399 72.416,1400 0.248,1401 23.949,1402 0.666,1403 114,1404 301.449,1405 124.555,1406 291.45,1407 392.51,1408 272,1409 129,1410 282.782,1411 139.143,1412 287.122,1413 415.37,1414 268,1415 4.804}
{0 CHEMBL556147,1 1.496,2 6.412,3 1.897,4 3.598,5 66.489,6 6.695,7 0.333,8 3.635,9 3.765,10 3.107,11 3.1,12 4.673,13 3.073,14 4.196,15 4.406,16 3.448,17 3.489,18 5.211,19 3.435,20 4.371,21 4.573,22 3.494,23 3.611,24 5.355,25 3.532,26 4.496,27 4.719,28 3.408,29 3.548,30 5.521,31 3.47,32 4.327,33 4.557,34 3.22,35 3.437,36 5.287,37 3.331,38 4.241,39 4.484,40 3.127,41 3.322,42 5.277,43 3.209,44 4.17,45 4.433,46 2.749,47 3.208,48 5.118,49 3.038,50 4.063,51 4.376,52 1.924,53 2.958,54 4.787,55 2.661,56 0.015,57 0.496,58 8.184,59 3.145,60 5.824,61 4.498,62 0.345,63 0.766,64 15.412,65 4.988,66 24.675,67 7.444,68 0.086,69 0.864,70 17.959,71 6.598,72 19.235,73 9.382,74 0.398,75 0.846,76 21.657,77 6.432,78 46.3,79 9.156,80 0.209,81 0.767,82 17.754,83 5.621,84 26.327,85 8.288,86 0.253,87 0.698,88 16.381,89 5.115,90 30.354,91 7.606,92 0.212,93 0.634,94 15.244,95 4.633,96 33.76,97 7.112,98 0.188,99 0.525,100 13.732,101 4.101,102 24.44,103 6.579,104 23,105 25,106 0.281,107 0.59,108 0.753,109 0.823,110 0.823,111 0.823,112 2.909,113 0.969,114 -3.08,115 -3.08,116 -2.97,121 37.1,123 2,126 3,129 1,144 3,145 2,146 1,161 1,176 6,179 3,180 2,185 2,187 8,192 2,197 2,200 4,206 7,209 1,211 2,214 3,219 4,224 1,232 6,235 2,281 309,282 11.284,283 11.284,284 11.284,285 11.284,286 11.284,287 10.427,288 15.478,289 6.546,290 11.577,291 8.783,292 8.783,293 8.783,294 8.783,295 8.783,296 7.37,297 18.009,298 2.966,299 9.179,300 3.633,301 1.988,302 1.122,303 0.75,304 0.75,305 0.75,306 3.556,311 1,312 1,313 221,314 3.162,317 32.895,318 42.042,321 63.238,325 0.976,326 14.686,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 37,338 109,339 4.476,340 3.777,341 6.804,342 4.167,343 3.187,344 4.09,345 2.208,346 11.229,347 3.125,348 3.863,349 3.415,350 5.781,351 3.581,352 2.649,353 3.054,354 0.657,355 7.66,356 2.445,357 3.33,358 2.445,359 5.179,360 3.054,361 2.101,362 2.54,363 0.655,364 6.047,365 2.001,366 3.218,367 2.278,368 5.107,369 2.941,370 1.966,371 2.378,372 0.13,373 5.874,374 1.911,375 2.616,376 1.976,377 3.938,378 2.227,379 1.245,380 1.649,382 2.885,383 1.221,384 2.318,385 1.323,386 3.579,387 2.039,388 1.087,389 1.224,391 2.592,392 1.019,393 1.937,394 1.137,395 3.286,396 1.796,397 0.81,398 0.885,400 1.838,401 0.794,402 1.44,403 0.803,404 2.684,405 1.275,406 0.335,407 0.354,409 0.525,410 0.313,411 1.146,412 0.481,413 2.424,414 0.764,415 -0.205,416 -0.262,418 -0.489,419 -0.196,420 0.542,421 -0.272,422 2.203,423 0.149,424 -0.83,425 -0.984,427 -1.888,428 -0.807,429 0.459,430 -0.6,431 2,432 0.081,433 -0.915,434 -1,436 -2,437 -0.899,439 -0.654,440 1.739,441 -0.1,442 -1,443 -1.21,445 -2.372,446 -0.9,447 -0.2,448 -0.922,449 1.4,450 -0.386,451 -1.359,452 -1.55,454 -3.646,455 -1.315,456 -0.285,457 -1.139,458 1.091,459 -0.517,460 -1.48,461 -1.811,463 -4.202,464 -1.436,465 -0.5,466 -1.382,467 1,468 -0.823,469 -1.79,470 -1.946,471 -0.4,472 -4.911,473 -1.61,474 7.967,475 0.469,476 0.456,477 0.027,478 19,479 1.118,480 8,481 0.471,482 11,483 0.647,484 13.058,485 0.768,486 19.633,487 0.561,488 12.843,489 0.755,490 3.887,491 0.229,492 4.244,493 0.25,494 0.23,496 0.364,501 0.803,502 1.561,503 0.881,504 1.304,505 0.602,506 1.127,507 0.699,508 0.757,509 0.846,510 0.757,511 0.465,512 0.792,513 0.89,514 1.303,515 0.94,516 1.299,517 0.684,518 1.154,519 1.781,520 0.923,521 1.141,522 0.895,523 1.692,524 0.93,525 1.301,526 1.173,527 1.128,528 1.116,529 1.043,530 1.104,531 1.081,532 1.062,533 1.058,534 1.07,535 1.363,536 1.068,537 1.188,538 1.078,539 1.275,540 1.098,541 1.719,542 1.184,543 0.862,544 0.998,545 1.365,546 1.174,547 1.015,548 1.312,549 3.5,551 2.222,552 1.285,553 0.778,554 0.517,555 0.448,556 0.2,559 1981,560 4823,561 1.96,562 51.4,563 2,564 13,567 1,569 2,572 1.576,573 1.789,574 2.733,575 -0.256,577 1,578 1,579 1,582 52.361,583 1.496,584 3.142,585 4.007,586 4.379,587 4.379,588 4.379,589 2.145,590 3.572,591 4.06,592 2.825,593 384.258,594 6.894,595 3467.61,597 1,599 1,600 179.525,601 1.549,602 3.989,603 0.194,605 0.089,606 0.051,607 0.035,608 0.029,609 0.028,610 0.02,613 0.447,614 0.83,615 1,616 1.576,617 69.037,618 -0.022,619 -0.266,620 0.055,621 -0.128,622 -0.036,623 -0.039,624 0.266,625 0.405,626 0.135,627 0.26,628 0.187,629 0.199,630 0.005,631 -0.238,632 0.008,633 -0.22,634 0.066,635 -0.118,636 -0.202,637 0.01,638 -0.091,639 0.059,640 -0.189,641 0.003,642 -0.162,643 -0.18,644 -0.14,645 -0.129,646 -0.069,647 -0.134,648 0.011,649 -0.073,650 -0.07,651 -0.108,652 -0.042,653 -0.11,654 -0.212,655 -0.111,656 -0.306,657 -0.157,658 -0.209,659 -0.235,660 -0.17,661 -0.093,662 -0.433,663 -0.286,664 -0.166,665 -0.38,666 2,667 4.59,668 0.529,669 9.439,670 0.998,671 1.135,672 1.855,673 3.44,674 0.629,675 2.944,676 3.258,677 3.526,678 3.761,679 3.912,680 3.932,681 3.932,682 3.871,683 3.555,684 3.332,685 4.147,686 0.591,687 234.33,688 2.944,689 4.466,690 5.313,691 6.192,692 7.067,693 7.955,694 8.838,695 9.729,696 10.617,697 11.51,698 5.7,700 1,705 1,715 3,720 3,722 6,737 1,741 35,743 7,744 1,745 18,747 36,748 13,749 6,750 3,751 3,756 2,757 3,767 3,770 3,772 7,773 6,777 1,782 1,786 1,790 1,793 18,794 4,795 1,796 4,802 2,808 0.5,809 2,828 1,829 1,832 1,853 1,859 1,864 3,868 17,876 2,877 1,878 1,880 1,881 1,893 5.7,896 1,898 1,901 9.5,902 7.117,903 3.861,904 2.047,907 1.358,908 1.224,909 0.928,910 3.574,911 7.417,912 3.135,913 3.651,914 4.155,915 4.643,916 5.087,917 5.221,918 5.396,919 5.55,920 5.284,921 5.143,922 1,923 25,924 6.286,926 2.565,927 0.026,929 7.735,931 12.092,933 9.636,936 2.235,937 38,938 0.002,941 200.109,942 77.064,943 21.135,945 36.145,948 77.064,949 236.254,950 21.135,951 25.189,952 8.193,953 46.439,954 25.145,955 22.614,956 6.763,957 200.109,959 200.109,960 98.199,961 36.145,964 176.567,965 59.687,968 26.204,969 71.995,972 200.109,973 57.28,974 77.064,977 200.109,978 23.446,979 56.742,980 18.011,981 36.145,982 200.109,983 57.28,984 77.064,986 0.579,987 0.349,988 0.178,989 0.097,990 12,991 6,992 0.083,993 3,994 1,995 1.222,996 2.823,997 116.55,998 0.222,999 9,1000 67.487,1005 12.242,1006 4.963,1007 2.39,1009 57.28,1010 5.894,1015 3.08,1017 18.011,1018 334.453,1019 22,1024 11.59,1028 -0.333,1031 34.927,1032 39.737,1034 0.292,1035 0.612,1036 0.781,1037 0.854,1038 0.854,1039 0.854,1040 4.376,1041 0.335,1042 5.313,1043 1.838,1044 3.932,1045 4.331,1046 2.401,1047 6.146,1048 3.852,1049 5.558,1050 -0.205,1051 6.895,1052 0.525,1053 3.611,1054 4.182,1055 1.847,1056 7.149,1057 3.489,1058 6.859,1059 -0.83,1060 8.58,1061 -0.489,1062 5.541,1063 6.422,1064 3.538,1065 10.251,1066 5.392,1067 8.199,1068 -0.915,1069 10.325,1070 -1.888,1071 6.043,1072 7.089,1073 3.656,1074 12.109,1075 5.863,1076 9.573,1077 -1,1078 12.109,1079 -2,1080 7.47,1081 8.859,1082 4.957,1083 14.748,1084 7.271,1085 10.973,1086 -1.359,1087 13.919,1088 -2.372,1089 8.333,1090 9.897,1091 5.37,1092 16.952,1093 8.114,1094 12.391,1095 -1.48,1096 15.75,1097 -3.646,1098 9.577,1099 11.48,1100 6.458,1101 19.443,1102 9.342,1103 3.187,1104 -1.79,1105 17.597,1106 -4.202,1107 10.6,1108 12.699,1109 7.028,1110 21.781,1111 10.351,1112 2.649,1113 11.229,1114 19.456,1115 -4.911,1116 11.778,1117 14.196,1118 7.994,1119 24.223,1120 11.515,1121 2.101,1122 7.66,1123 21.325,1124 4.09,1125 12.872,1126 15.506,1127 8.654,1128 26.612,1129 12.596,1130 1.966,1131 6.047,1132 23.203,1133 3.054,1134 14.028,1135 16.961,1136 9.549,1137 29.037,1138 13.739,1139 1.245,1140 5.874,1141 25.087,1142 2.54,1143 15.154,1144 18.317,1145 10.263,1146 31.445,1147 14.852,1148 1.087,1149 2.885,1150 26.978,1151 2.378,1152 16.305,1153 19.75,1154 11.116,1155 33.865,1156 15.989,1157 0.81,1158 2.592,1159 28.873,1160 1.649,1161 17.446,1162 21.131,1163 11.862,1164 36.279,1165 17.115,1166 2109,1167 3367,1168 11.444,1169 22.012,1170 26.838,1171 27.793,1172 28.457,1173 26.784,1174 26.763,1175 32.349,1176 7.3,1177 77.297,1178 25.658,1179 5.354,1180 5.777,1181 6.361,1182 5.23,1183 5.187,1184 7.09,1185 3.912,1186 18.119,1187 5.125,1188 9.579,1189 1.491,1190 1.544,1191 1.581,1192 1.488,1193 1.487,1194 1.797,1195 0.406,1196 4.294,1197 1.425,1198 4.031,1199 4.059,1200 3.973,1201 3.961,1202 7.433,1203 3.959,1204 3.634,1205 3.697,1206 3.547,1207 3.372,1208 4.813,1209 3.394,1210 3.492,1211 3.567,1212 3.353,1213 3.315,1214 4.333,1215 3.323,1216 3.254,1217 3.348,1218 3.054,1219 3.027,1220 4.258,1221 3.02,1222 3.054,1223 3.08,1224 2.903,1225 2.811,1226 4.074,1227 2.822,1228 2.874,1229 3.009,1230 2.633,1231 2.618,1232 3.857,1233 2.57,1234 2.785,1235 2.84,1236 2.499,1237 2.535,1238 3.467,1239 2.562,1240 2.545,1241 2.624,1242 2.37,1243 2.416,1244 3.283,1245 2.396,1246 0.249,1247 0.21,1248 0.378,1249 0.231,1250 0.177,1251 4.476,1252 0.227,1253 3.777,1254 0.123,1255 6.804,1256 0.624,1257 4.167,1258 0.174,1259 3.187,1260 4.09,1261 2.208,1262 11.229,1263 3.125,1264 1.893,1265 1.875,1266 1.987,1267 1.986,1268 1.182,1269 1.984,1270 1.607,1271 1.54,1272 1.852,1273 1.811,1274 1.174,1275 1.829,1276 1.514,1277 1.438,1278 1.783,1279 1.808,1280 0.834,1281 1.802,1282 1.254,1283 1.16,1284 1.604,1285 1.511,1286 0.667,1287 1.549,1288 0.975,1289 0.905,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.934,1295 0.866,1296 1.267,1297 1.228,1298 0.453,1299 1.197,1300 0.886,1301 0.804,1302 1.063,1303 1.154,1304 0.113,1305 1.168,1306 0.592,1307 0.556,1308 0.816,1309 0.84,1311 0.851,1312 3.611,1314 4.92,1315 2.398,1316 6.428,1317 4.727,1318 8.03,1319 6.843,1320 9.686,1322 5.298,1328 2.094,1329 3.258,1330 5.398,1332 0.288,1333 1.433,1340 20.687,1341 52.361,1342 109.957,1343 140.241,1344 153.26,1345 153.26,1346 153.26,1347 25.253,1348 6.059,1349 41.57,1350 41.57,1351 11,1352 12.038,1353 3,1354 2.322,1355 28.21,1356 41,1357 38,1358 0.353,1359 130.556,1360 226.86,1361 310.316,1362 2583,1364 12.414,1365 0.73,1366 0.617,1367 12.414,1368 10.487,1369 8.13,1370 0.452,1371 0.323,1372 5.708,1373 7.751,1374 5.461,1375 4.612,1376 8.13,1377 5.814,1378 7.231,1379 0.289,1380 0.179,1381 7.231,1382 4.471,1383 6.028,1384 0.183,1385 0.094,1386 6.028,1387 3.118,1388 4.64,1389 0.11,1390 0.053,1391 4.64,1392 2.21,1393 3.635,1394 0.074,1395 0.029,1396 3.635,1397 1.413,1398 0.521,1399 51.477,1400 0.296,1401 16.72,1402 1.064,1403 86,1404 253.449,1405 95.889,1406 240.059,1407 324.33,1408 224,1409 101,1410 236.149,1411 110.809,1412 239.862,1413 349.8,1414 222,1415 6.292}
{0 CHEMBL556157,1 1.477,2 21.396,3 10.646,4 113.331,5 195.38,6 7.575,7 0.519,8 4.581,9 4.698,10 4.171,11 4.198,12 5.567,13 4.148,14 5.163,15 5.333,16 4.555,17 4.628,18 6.114,19 4.547,20 5.481,21 5.711,22 4.666,23 4.782,24 6.381,25 4.677,26 5.481,27 5.708,28 4.613,29 4.751,30 6.412,31 4.649,32 5.465,33 5.686,34 4.576,35 4.779,36 6.343,37 4.664,38 5.549,39 5.783,40 4.581,41 4.811,42 6.439,43 4.664,44 5.561,45 5.82,46 4.465,47 4.756,48 6.353,49 4.577,50 5.467,51 5.734,52 4.339,53 4.603,54 6.298,55 4.417,56 0.053,57 1.227,58 18.324,59 8.596,60 8.556,61 11.527,62 0.225,63 2.1,64 36.804,65 15.534,66 29.065,67 21.075,68 0.403,69 2.754,70 59.357,71 21.496,72 56.476,73 29.495,74 0.645,75 2.794,76 58.293,77 20.156,78 70.958,79 27.633,80 0.401,81 2.77,82 52.808,83 20.601,84 50.259,85 28.362,86 0.709,87 2.885,88 60.832,89 23.554,90 77.559,91 32.518,92 0.446,93 2.812,94 66.925,95 24.895,96 57.704,97 34.184,98 0.683,99 2.472,100 68.929,101 22.282,102 78.001,103 30.147,104 10,105 75,106 0.217,107 0.519,108 0.682,109 0.819,110 0.867,111 0.877,112 3.894,113 1.016,114 -6.69,115 -6.51,116 -6.03,121 44.4,123 12,127 3,144 10,145 6,146 4,148 4,160 1,176 21,180 12,183 1,185 5,187 27,192 12,197 6,200 20,205 1,206 13,209 1,211 8,214 24,219 4,224 3,227 28,231 2,232 6,235 2,237 4,239 34,244 3,249 3,251 25,256 7,261 2,264 22,269 6,273 1,274 2,277 19,281 5480,282 33.258,283 33.258,284 33.258,285 33.258,286 33.258,287 29.881,288 28.468,289 20.031,290 33.853,291 26.744,292 26.744,293 26.744,294 26.744,295 26.744,296 21.364,297 26.893,298 9.626,299 27.803,300 5.015,301 2.966,302 1.859,303 0.928,304 0.6,305 0.533,306 4.618,308 2,313 2309,314 4.472,318 918.539,322 871.623,325 3.113,326 37.76,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.49,337 100.667,338 1027,339 4.69,340 3.568,341 6.908,342 4.259,343 3.283,344 4.614,345 1.058,346 11.64,347 3.201,348 4.651,349 3.411,350 6.833,351 4.214,352 3.235,353 4.582,354 0.86,355 11.364,356 3.165,357 4.222,358 3.373,359 6.28,360 3.846,361 2.847,362 3.845,363 0.4,364 9.413,365 2.84,366 3.993,367 2.948,368 6.004,369 3.607,370 2.626,371 3.534,373 8.477,374 2.572,375 3.99,376 2.943,377 5.97,378 3.58,379 2.61,380 3.49,382 8.356,383 2.532,384 3.745,385 2.686,386 5.64,387 3.322,388 2.357,389 3.177,391 7.36,392 2.268,393 3.584,394 2.562,395 5.427,396 3.193,397 2.252,398 2.966,400 6.886,401 2.104,402 3.581,403 2.541,404 5.096,405 3.126,406 2.225,407 2.961,409 6.156,410 1.949,411 3.365,412 2.272,413 4.899,414 2.914,415 1.987,416 2.699,418 5.573,419 1.897,420 3.077,421 1.962,422 4.759,423 2.871,424 1.904,425 2.304,427 4.951,428 1.705,429 2.96,430 1.947,431 4.257,432 2.673,433 1.699,434 2.026,436 4.07,437 1.654,438 2.869,439 1.869,440 4.121,441 2.621,442 1.661,443 1.892,445 3.77,446 1.564,447 2.699,448 1.782,449 3.981,450 2.46,451 1.48,452 1.74,454 3.42,455 1.441,456 2.616,457 1.677,458 3.958,459 2.42,460 1.447,461 1.638,463 3.302,464 1.407,465 2.579,466 1.564,467 3.844,468 2.383,469 1.414,470 1.576,472 3.261,473 1.345,474 23.695,475 0.494,476 0.969,477 0.02,478 58.75,479 1.224,480 28.5,481 0.594,482 30.25,483 0.63,484 54.092,485 1.127,486 50.705,487 0.563,488 45.663,489 0.951,490 10.313,491 0.215,492 13.233,493 0.276,494 0.074,496 0.317,501 0.699,502 1.163,503 0.661,504 0.949,505 0.56,506 0.915,507 0.783,508 1.18,509 0.739,510 0.995,511 0.559,512 0.987,513 0.946,514 1.052,515 0.822,516 0.911,517 0.777,518 0.876,519 1.184,520 0.984,521 0.872,522 0.899,523 1.16,524 0.923,525 0.962,526 1.049,527 0.77,528 0.965,529 0.986,530 1.007,531 0.708,532 1.027,533 0.801,534 1.041,535 0.796,536 1.082,537 0.857,538 1.046,539 0.917,540 1.049,541 0.967,542 1.063,543 1.202,544 0.906,545 1.17,546 1.001,547 1.444,548 1.006,549 7,550 0.198,551 5.111,552 2.875,553 3.004,554 1.528,555 1.045,556 0.661,557 0.5,558 0.269,559 58862,560 141598,561 2.174,562 46.7,563 16,564 16,567 2,568 2,569 6,572 1.832,573 2.087,574 4.254,575 0.023,582 132.912,583 1.477,584 3.526,585 4.633,586 5.564,587 5.892,588 5.959,589 3.69,590 5.293,591 5.564,592 4.538,593 5119.24,594 9.813,595 115913,600 584.267,601 1.198,602 5.539,603 0.13,604 0.005,605 0.068,606 0.035,607 0.039,608 0.02,609 0.015,610 0.011,611 0.01,612 0.006,613 0.34,614 0.17,615 0.5,616 0.366,617 296.849,618 -0.015,619 -0.024,620 0.03,621 0.019,622 0.016,623 0.041,624 0.029,625 -0.099,626 0.024,627 -0.031,628 0.103,629 -0.024,630 -0.007,631 -0.031,632 0.076,633 0.057,634 0.073,635 0.1,636 -0.053,637 0.079,638 -0.023,639 0.034,640 -0.046,641 0.02,642 -0.085,643 0.003,644 -0.036,645 -0.025,646 -0.071,647 -0.048,648 0.16,649 -0.032,650 -0.006,651 -0.075,652 0.098,653 -0.099,654 -0.01,655 -0.103,656 0.006,657 -0.056,658 -0.048,659 -0.055,660 -0.056,661 0.026,662 -0.04,663 0.004,664 -0.113,665 -0.003,666 1.72,667 6.087,668 0.708,669 73.583,670 0.993,671 1.118,672 5.462,673 29.836,674 0.688,675 4.007,676 4.331,677 4.644,678 4.956,679 5.283,680 5.421,681 5.595,682 5.759,683 5.881,684 5.849,685 12.513,686 0.641,687 681.76,688 4.007,689 5.557,690 6.422,691 7.309,692 8.197,693 9.096,694 9.996,695 10.902,696 11.808,697 12.719,698 4.4,703 1,705 1,708 2,714 4,715 10,716 2,720 10,722 28,729 1,734 1,739 1,740 2,741 90,743 29,744 3,745 54,747 96,748 40,749 24,750 8,751 10,752 1,756 7,757 13,758 2,767 6,770 12,772 25,773 15,777 1,782 1,786 1,793 42,794 6,795 2,796 8,797 2,802 4,808 0.429,809 2,822 2,829 7,833 4,859 3,865 2,868 48,876 15,877 2,878 1,892 2,893 2.2,896 1,898 1,901 23,902 16.102,903 10.528,904 6.258,907 5.31,908 1.546,909 1.022,910 10.665,911 15.044,912 4.248,913 4.871,914 5.518,915 6.164,916 6.829,917 7.247,918 7.704,919 8.15,920 8.561,921 8.714,922 0.929,923 82,924 17.859,926 7.699,927 0.026,929 7.525,931 35.256,933 30.179,936 2.025,937 97.222,941 470.844,942 181.377,943 69.593,944 78.297,945 36.145,948 181.377,949 585.286,950 69.593,952 57.229,953 94.762,954 81.431,955 53.691,957 470.844,958 78.297,959 470.844,960 250.969,961 36.145,962 78.297,964 400.217,965 106.771,968 67.031,969 132.357,970 129.879,972 470.844,973 105.737,974 259.674,977 470.844,978 86.614,979 94.762,980 36.022,981 148.013,982 470.844,983 105.737,984 259.674,986 0.575,987 0.337,988 0.19,989 0.114,990 36,991 15,992 0.125,993 12,994 4,995 1.235,996 5.861,997 503.502,998 0.235,999 34,1000 262.078,1005 33.136,1006 15.449,1007 7.619,1008 3.891,1009 105.737,1010 19.554,1011 9.932,1015 9.857,1017 36.022,1018 836.255,1019 69,1024 13.087,1028 -0.053,1031 89.381,1032 100.604,1034 0.227,1035 0.543,1036 0.714,1037 0.857,1038 0.908,1039 0.918,1040 5.493,1041 2.225,1042 6.392,1043 6.886,1044 5.017,1045 5.561,1046 1.617,1047 7.217,1048 4.947,1049 6.693,1050 1.987,1051 7.951,1052 6.156,1053 4.511,1054 5.434,1056 8.148,1057 4.383,1058 8.008,1059 1.904,1060 9.617,1061 5.573,1062 6.611,1063 7.829,1064 1.538,1065 11.308,1066 6.492,1067 9.364,1068 1.699,1069 11.349,1070 4.951,1071 6.976,1072 8.573,1074 13.118,1075 6.824,1076 10.758,1077 1.661,1078 13.125,1079 4.07,1080 8.506,1081 10.437,1082 1.532,1083 15.793,1084 8.351,1085 12.179,1086 1.48,1087 14.932,1088 3.77,1089 9.295,1090 11.583,1092 17.961,1093 9.116,1094 13.621,1095 1.447,1096 16.761,1097 3.42,1098 10.594,1099 13.238,1100 1.557,1101 20.476,1102 10.405,1103 3.283,1104 1.414,1105 18.606,1106 3.302,1107 11.587,1108 14.579,1110 22.797,1111 11.376,1112 3.235,1113 11.64,1114 20.464,1115 3.261,1116 12.796,1117 16.149,1118 1.603,1119 25.258,1120 12.569,1121 2.847,1122 11.364,1123 22.332,1124 4.614,1125 13.885,1126 17.584,1128 27.645,1129 13.636,1130 2.626,1131 9.413,1132 24.208,1133 4.582,1134 15.063,1135 19.121,1136 1.663,1137 30.09,1138 14.795,1139 2.61,1140 8.477,1141 26.091,1142 3.845,1143 16.197,1144 20.601,1146 32.506,1147 15.905,1148 2.357,1149 8.356,1150 27.98,1151 3.534,1152 17.368,1153 22.127,1154 1.734,1155 34.947,1156 17.054,1157 2.252,1158 7.36,1159 29.873,1160 3.49,1161 18.523,1162 23.629,1164 37.377,1165 18.184,1166 53057,1167 82642,1168 37.274,1169 61.876,1170 80.19,1171 82.501,1172 82.113,1173 80.44,1174 80.036,1175 102.819,1176 4.637,1177 229.073,1178 76.872,1179 5.66,1180 5.568,1181 6.832,1182 5.343,1183 5.283,1184 7.614,1185 2.117,1186 19.261,1187 5.201,1188 17.946,1189 1.485,1190 1.528,1191 1.521,1192 1.49,1193 1.482,1194 1.904,1195 0.086,1196 4.242,1197 1.424,1198 4.15,1199 4.174,1200 4.144,1201 4.079,1202 7.429,1203 4.084,1204 4.095,1205 4.119,1206 4.096,1207 4.028,1208 5.054,1209 4.033,1210 3.87,1211 3.892,1212 3.952,1213 3.825,1214 5.014,1215 3.816,1216 3.793,1217 3.855,1218 3.778,1219 3.671,1220 4.898,1221 3.656,1222 3.736,1223 3.78,1224 3.671,1225 3.654,1226 4.685,1227 3.638,1228 3.701,1229 3.744,1230 3.602,1231 3.579,1232 4.515,1233 3.577,1234 3.605,1235 3.675,1236 3.463,1237 3.448,1238 4.384,1239 3.436,1240 3.437,1241 3.503,1242 3.395,1243 3.252,1244 4.273,1245 3.258,1246 0.087,1247 0.066,1248 0.128,1249 0.079,1250 0.061,1251 4.69,1252 0.085,1253 3.568,1254 0.02,1255 6.908,1256 0.216,1257 4.259,1258 0.059,1259 3.283,1260 4.614,1261 1.058,1262 11.64,1263 3.201,1264 2.076,1265 2.06,1266 2.149,1267 2.162,1268 1.438,1269 2.159,1270 2.07,1271 2.047,1272 2.137,1273 2.158,1274 1.402,1275 2.155,1276 1.866,1277 1.846,1278 2.043,1279 1.966,1280 1.356,1281 1.994,1282 1.795,1283 1.734,1284 1.952,1285 1.927,1286 1.214,1287 1.944,1288 1.75,1289 1.709,1290 1.927,1291 1.864,1292 1.141,1293 1.893,1294 1.683,1295 1.644,1296 1.889,1297 1.851,1298 1.12,1299 1.865,1300 1.609,1301 1.539,1302 1.863,1303 1.794,1304 1.063,1305 1.82,1306 1.393,1307 1.33,1308 1.65,1309 1.628,1310 0.918,1311 1.638,1312 4.691,1314 6.014,1316 7.545,1318 9.183,1320 10.883,1323 12.41,1328 15.481,1329 6.89,1330 6.175,1340 57.706,1341 132.912,1342 317.337,1343 416.969,1344 500.757,1345 530.267,1346 536.267,1347 85.794,1348 9.734,1349 76.14,1350 76.14,1351 42,1352 13.235,1353 4.907,1354 4,1355 69.508,1356 378,1357 300,1358 0.086,1359 353.562,1360 614.58,1361 854.452,1362 392917,1363 2.2,1364 32.873,1365 0.685,1366 0.601,1367 33.873,1368 28.859,1369 23.547,1370 0.436,1371 0.339,1372 17.477,1373 22.475,1374 17.09,1375 14.077,1376 24.124,1377 18.29,1378 20.862,1379 0.278,1380 0.186,1381 21.678,1382 13.916,1383 18.033,1384 0.175,1385 0.098,1386 18.584,1387 10.134,1388 15.395,1389 0.109,1390 0.053,1391 15.796,1392 7.449,1393 13.607,1394 0.069,1395 0.029,1396 14.053,1397 5.702,1398 0.146,1399 150.842,1400 0.164,1401 43.077,1402 0.212,1403 258,1404 633.834,1405 302.345,1406 682.305,1407 937.26,1408 642,1409 307,1410 659.83,1411 340.99,1412 689.687,1413 1023.26,1414 656,1415 8.436}
{0 CHEMBL556161,1 1.572,2 9.773,3 4.626,4 21.399,5 88.146,6 7.462,7 0.261,8 3.828,9 3.95,10 3.386,11 3.353,12 4.9,13 3.314,14 4.389,15 4.583,16 3.746,17 3.733,18 5.422,19 3.663,20 4.62,21 4.833,22 3.844,23 3.875,24 5.6,25 3.777,26 4.701,27 4.919,28 3.868,29 3.858,30 5.761,31 3.761,32 4.605,33 4.823,34 3.683,35 3.757,36 5.683,37 3.645,38 4.478,39 4.694,40 3.637,41 3.643,42 5.608,43 3.545,44 4.328,45 4.537,46 3.552,47 3.588,48 5.434,49 3.465,50 4.285,51 4.497,52 3.327,53 3.497,54 5.387,55 3.351,56 0.011,57 0.585,58 9.092,59 3.991,60 8.111,61 5.363,62 0.325,63 0.929,64 18.492,65 6.544,66 27.859,67 9.179,68 0.159,69 1.084,70 25.28,71 8.788,72 28.692,73 11.971,74 0.453,75 1.073,76 30.882,77 9.034,78 58.734,79 11.893,80 0.38,81 0.966,82 28.552,83 8.537,84 48.146,85 11.359,86 0.431,87 0.85,88 24.517,89 7.357,90 57.038,91 9.666,92 0.222,93 0.773,94 20.682,95 6.873,96 34.111,97 9.138,98 0.253,99 0.712,100 22.487,101 6.326,102 47.701,103 8.374,104 40,105 31,106 0.279,107 0.642,108 0.856,109 0.881,110 0.881,111 0.881,112 3.146,113 1.026,114 -4.52,115 -4.44,116 -4.18,121 39.5,122 1,123 3,126 1,127 2,129 1,142 1,143 1,144 2,145 2,146 2,161 1,176 6,179 3,180 3,185 3,187 8,192 2,197 4,200 6,206 8,214 5,219 6,222 1,224 2,227 5,232 4,239 5,244 5,247 2,251 5,256 1,264 5,269 2,274 1,277 4,281 644,282 14.723,283 14.723,284 14.723,285 14.723,286 14.723,287 13.634,288 20.352,289 8.935,290 15.117,291 11.264,292 11.264,293 11.264,294 11.264,295 11.264,296 9.43,297 25.229,298 4.102,299 11.93,300 3.854,301 1.802,302 0.593,303 0.454,304 0.454,305 0.454,306 3.804,308 1,311 1,312 1,313 434,314 3.808,317 52.179,318 58.89,321 92.935,325 1.43,326 22.614,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 47.333,338 215,339 4.486,340 3.777,341 6.705,342 4.151,343 3.178,344 4.139,345 2.208,346 10.869,347 3.087,348 3.945,349 3.476,350 5.92,351 3.673,352 2.745,353 3.164,354 0.911,355 8.196,356 2.526,357 3.613,358 2.869,359 5.629,360 3.319,361 2.388,362 2.817,363 0.655,364 7.311,365 2.202,366 3.481,367 2.557,368 5.247,369 3.07,370 2.14,371 2.672,372 0.44,373 6.496,374 1.968,375 3.41,376 2.426,377 4.498,378 2.55,379 1.609,380 2.086,381 0.13,382 4.237,383 1.491,384 2.688,385 2.174,386 4.005,387 2.415,388 1.433,389 1.611,391 3.361,392 1.393,393 2.634,394 1.768,395 3.693,396 2.212,397 1.227,398 1.582,400 2.632,401 1.202,402 2.14,403 1.366,404 3.417,405 1.972,406 1.028,407 1.096,409 2.35,410 0.928,411 1.846,412 1.026,413 2.951,414 1.71,415 0.741,416 0.787,418 1.255,419 0.708,420 1.753,421 0.685,422 2.672,423 1.202,424 0.252,425 0.331,427 0.434,428 0.234,429 1.15,430 0.568,431 2.555,432 0.754,433 -0.206,434 -0.262,436 -0.478,437 -0.187,438 0.951,439 0.129,440 2.295,441 0.47,442 -0.376,443 -0.461,445 -0.871,446 -0.267,447 0.614,448 -0.286,449 2,450 0.369,451 -0.593,452 -0.605,454 -0.987,455 -0.565,456 0.423,457 -0.388,458 1.919,459 0.204,460 -0.777,461 -1.022,463 -1.732,464 -0.755,465 0.177,466 -0.523,467 1.528,468 -0.148,469 -1.137,470 -1.405,472 -2.619,473 -1.025,474 10.681,475 0.485,476 0.524,477 0.024,478 23.75,479 1.08,480 10,481 0.455,482 13.75,483 0.625,484 20.162,485 0.916,486 24.719,487 0.575,488 16.739,489 0.761,490 4.575,491 0.208,492 5.987,493 0.272,494 0.239,496 0.318,501 0.745,502 1.443,503 0.683,504 1.113,505 0.609,506 1.028,507 0.654,508 0.983,509 0.708,510 0.839,511 0.449,512 0.875,513 0.954,514 1.196,515 0.86,516 1.053,517 0.726,518 1.003,519 1.513,520 0.926,521 1.076,522 0.911,523 1.428,524 0.917,525 1.336,526 1.009,527 1.196,528 1.094,529 1.397,530 1.044,531 1.438,532 0.873,533 0.968,534 0.88,535 1.424,536 0.896,537 0.995,538 1.075,539 1.129,540 1.098,541 1.143,542 1.078,543 1.5,544 1.058,545 1.68,546 1.212,547 1.619,548 1.208,549 4.5,550 0.053,551 2.667,552 1.694,553 1.289,554 0.591,555 0.549,556 0.396,557 0.214,558 0.1,559 4368,560 12162,561 1.944,562 48.8,563 5,564 10,565 1,567 1,569 4,572 1.647,573 1.784,574 3.251,575 -0.31,582 67.604,583 1.572,584 3.624,585 4.833,586 4.973,587 4.973,588 4.973,589 2.716,590 3.971,591 4.424,592 3.364,593 777.027,594 7.616,595 8568.16,597 1,600 233.329,601 1.529,602 4.365,603 0.196,604 0.007,605 0.086,606 0.053,607 0.043,608 0.023,609 0.023,610 0.018,611 0.013,612 0.009,613 0.47,614 0.33,615 1,616 2.037,617 101.273,618 -0.023,619 -0.202,620 0.023,621 -0.084,622 -0.019,623 -0.028,624 0.236,625 0.16,626 0.086,627 0.116,628 0.166,629 0.082,630 -0.028,631 -0.167,632 0.05,633 -0.068,634 0.018,635 -0.022,636 -0.126,637 0.043,638 -0.003,639 0.057,640 -0.135,641 0.027,642 -0.057,643 -0.059,644 -0.098,645 -0.102,646 -0.118,647 -0.079,648 -0.051,649 0.07,650 0.04,651 0.095,652 -0.093,653 0.058,654 0.035,655 -0.077,656 -0.024,657 -0.074,658 -0.024,659 -0.084,660 -0.286,661 -0.074,662 -0.339,663 -0.176,664 -0.167,665 -0.227,666 2.038,667 4.986,668 0.409,669 18.959,670 1,671 1.128,672 3.287,673 10.803,674 0.66,675 3.178,676 3.466,677 3.714,678 3.951,679 4.111,680 4.22,681 4.317,682 4.394,683 4.263,684 4.127,685 5.593,686 0.618,687 320.85,688 3.178,689 4.691,690 5.525,691 6.395,692 7.259,693 8.142,694 9.019,695 9.908,696 10.793,697 11.686,698 4.7,700 1,705 1,715 2,720 4,722 6,737 1,740 1,741 43,743 8,744 1,745 23,747 44,748 17,749 6,750 4,751 2,756 2,757 3,758 1,763 1,767 3,770 4,771 2,772 7,773 8,777 1,782 1,786 1,790 1,793 21,794 4,795 1,796 5,797 1,802 2,808 0.5,809 2,828 1,829 1,832 1,836 1,837 1,853 1,859 1,864 2,865 1,868 22,876 5,877 1,878 1,880 1,881 1,885 1,886 1,891 1,892 1,893 4.7,896 1,898 1,901 12.333,902 8.26,903 5.111,904 2.761,907 1.471,908 1.224,909 0.927,910 5.988,911 8.04,912 3.401,913 3.861,914 4.321,915 4.805,916 5.262,917 5.518,918 5.76,919 6.014,920 5.887,921 5.911,922 0.857,923 32,924 8.129,926 3.316,927 0.026,929 7.808,931 15.528,933 12.337,936 2.308,937 50.778,940 1,941 235.422,942 110.219,943 21.135,944 39.149,945 36.145,948 110.219,949 310.715,950 21.135,951 17.222,952 14.939,953 36.963,954 25.145,955 26.115,956 58.885,957 223.651,958 39.149,959 235.422,960 131.354,961 36.145,962 39.149,964 188.338,965 83.229,968 41.775,969 72.548,970 56.179,972 235.422,973 57.28,974 149.367,977 235.422,978 33.693,979 39.298,980 35.041,981 98.615,982 235.422,983 57.28,984 149.367,986 0.563,987 0.331,988 0.176,989 0.095,990 13,991 7,992 0.136,993 6,994 1,995 1.222,996 3.336,997 162.335,998 0.222,999 9,1000 98.107,1005 16.985,1006 7.756,1007 4.097,1009 57.28,1010 3.599,1015 3.302,1017 18.011,1018 442.069,1019 29,1024 11.986,1028 -0.371,1031 43.018,1032 48.511,1034 0.29,1035 0.668,1036 0.891,1037 0.916,1038 0.916,1039 0.916,1040 4.649,1041 1.028,1042 5.509,1043 2.632,1044 4.143,1045 4.543,1046 2.503,1047 6.319,1048 4.03,1049 5.833,1050 0.741,1051 7.072,1052 2.35,1053 3.761,1054 4.369,1055 1.847,1056 7.235,1057 3.56,1058 7.129,1059 0.252,1060 8.739,1061 1.255,1062 5.727,1063 6.606,1064 3.569,1065 10.342,1066 5.517,1067 8.458,1068 -0.206,1069 10.465,1070 0.434,1071 6.176,1072 7.264,1073 3.656,1074 12.09,1075 5.901,1076 9.819,1077 -0.376,1078 12.229,1079 -0.478,1080 7.619,1081 9.017,1082 4.964,1083 14.72,1084 7.333,1085 11.201,1086 -0.593,1087 14.019,1088 -0.871,1089 8.444,1090 10.059,1091 5.37,1092 16.823,1093 8.116,1094 12.602,1095 -0.777,1096 15.827,1097 -0.987,1098 9.689,1099 11.627,1100 6.459,1101 19.29,1102 9.345,1103 3.178,1104 -1.137,1105 17.649,1106 -1.732,1107 10.686,1108 12.855,1109 7.028,1110 21.551,1111 10.312,1112 2.745,1113 10.869,1114 19.484,1115 -2.619,1116 11.857,1117 14.345,1118 7.994,1119 23.961,1120 11.465,1121 2.388,1122 8.196,1123 21.327,1124 4.139,1125 12.932,1126 15.667,1127 8.654,1128 26.291,1129 12.516,1130 2.14,1131 7.311,1132 23.179,1133 3.164,1134 14.079,1135 17.121,1136 9.549,1137 28.683,1138 13.645,1139 1.609,1140 6.496,1141 25.037,1142 2.817,1143 15.191,1144 18.49,1145 10.263,1146 31.044,1147 14.734,1148 1.433,1149 4.237,1150 26.901,1151 2.672,1152 16.333,1153 19.927,1154 11.116,1155 33.43,1156 15.855,1157 1.227,1158 3.361,1159 28.77,1160 2.086,1161 17.463,1162 21.321,1163 11.862,1164 35.804,1165 16.962,1166 4578,1167 7745,1168 14.622,1169 28.392,1170 34.774,1171 35.323,1172 35.606,1173 33.68,1174 33.481,1175 40.57,1176 8.689,1177 94.285,1178 31.479,1179 5.381,1180 5.777,1181 6.567,1182 5.228,1183 5.178,1184 7.139,1185 3.912,1186 18,1187 5.087,1188 13.147,1189 1.512,1190 1.536,1191 1.548,1192 1.464,1193 1.456,1194 1.764,1195 0.378,1196 4.099,1197 1.369,1198 4.036,1199 4.061,1200 4.078,1201 3.974,1202 7.433,1203 3.97,1204 3.724,1205 3.79,1206 3.623,1207 3.515,1208 5.432,1209 3.522,1210 3.578,1211 3.632,1212 3.574,1213 3.446,1214 4.945,1215 3.444,1216 3.426,1217 3.477,1218 3.352,1219 3.293,1220 4.493,1221 3.286,1222 3.32,1223 3.394,1224 3.292,1225 3.106,1226 4.309,1227 3.114,1228 3.034,1229 3.079,1230 3.099,1231 2.906,1232 4.196,1233 2.892,1234 2.922,1235 2.974,1236 2.737,1237 2.625,1238 3.906,1239 2.648,1240 2.753,1241 2.868,1242 2.73,1243 2.553,1244 3.826,1245 2.547,1246 0.195,1247 0.164,1248 0.292,1249 0.18,1250 0.138,1251 4.486,1252 0.18,1253 3.777,1254 0.096,1255 6.705,1256 0.473,1257 4.151,1258 0.134,1259 3.178,1260 4.139,1261 2.208,1262 10.869,1263 3.087,1264 1.888,1265 1.877,1266 1.954,1267 1.979,1268 1.188,1269 1.973,1270 1.669,1271 1.598,1272 1.928,1273 1.888,1274 1.182,1275 1.902,1276 1.635,1277 1.575,1278 1.851,1279 1.817,1280 1.171,1281 1.833,1282 1.431,1283 1.381,1284 1.657,1285 1.613,1286 0.73,1287 1.63,1288 1.323,1289 1.251,1290 1.64,1291 1.567,1292 0.713,1293 1.598,1294 1.064,1295 1.016,1296 1.294,1297 1.284,1298 0.436,1299 1.277,1300 0.843,1301 0.795,1302 1.269,1303 1.138,1304 0.423,1305 1.187,1306 0.786,1307 0.693,1308 1.027,1309 1.071,1310 0.094,1311 1.063,1312 3.85,1314 5.142,1315 2.398,1316 6.627,1317 4.727,1318 8.211,1319 6.843,1320 9.855,1322 3.732,1323 6.325,1328 3.897,1329 3.293,1330 5.422,1332 0.163,1333 1.551,1337 5.301,1339 2.58,1340 26.568,1341 67.604,1342 155.843,1343 207.82,1344 213.82,1345 213.82,1346 213.82,1347 45.009,1348 6.569,1349 41.57,1350 41.57,1351 11,1352 12.215,1353 3.17,1354 2.807,1355 42.16,1356 73,1357 80,1358 0.293,1359 171.403,1360 305.99,1361 409.983,1362 5126,1363 2.3,1364 16.113,1365 0.732,1366 0.625,1367 16.613,1368 13.743,1369 10.562,1370 0.459,1371 0.342,1372 7.419,1373 9.907,1374 7.147,1375 5.985,1376 10.851,1377 7.863,1378 9.101,1379 0.294,1380 0.189,1381 9.472,1382 5.846,1383 7.417,1384 0.185,1385 0.103,1386 7.749,1387 4.126,1388 5.955,1389 0.117,1390 0.059,1391 6.328,1392 3.02,1393 4.391,1394 0.073,1395 0.03,1396 4.653,1397 1.791,1398 0.452,1399 69.055,1400 0.262,1401 21.659,1402 0.82,1403 108,1404 323.652,1405 134.075,1406 340.986,1407 447.2,1408 316,1409 125,1410 298.645,1411 146.853,1412 312.151,1413 455,1414 291,1415 4.358}
{0 CHEMBL556186,1 1.511,2 10.407,3 2.162,4 4.674,5 100.317,6 7.067,7 0.4,8 4.052,9 4.175,10 3.583,11 3.556,12 5.097,13 3.534,14 4.641,15 4.823,16 4.036,17 4.012,18 5.694,19 3.983,20 4.937,21 5.111,22 4.13,23 4.226,24 5.977,25 4.163,26 5.115,27 5.359,28 4.046,29 4.251,30 6.091,31 4.149,32 5.069,33 5.312,34 3.846,35 4.105,36 6.116,37 3.974,38 4.922,39 5.21,40 3.608,41 3.81,42 5.876,43 3.695,44 4.398,45 4.595,46 3.532,47 3.584,48 5.534,49 3.523,50 4.379,51 4.575,52 3.453,53 3.589,54 5.506,55 3.519,56 0.062,57 0.766,58 11.574,59 4.76,60 7.64,61 6.528,62 0.379,63 1.28,64 22.69,65 8.07,66 34.992,67 11.381,68 0.309,69 1.639,70 30.713,71 11.078,72 49.918,73 15.248,74 0.382,75 1.826,76 38.59,77 12.588,78 51.301,79 18.374,80 0.41,81 1.581,82 37.619,83 12.885,84 77.478,85 18.028,86 0.635,87 1.216,88 34.87,89 10.412,90 80.06,91 14.706,92 0.386,93 0.862,94 18.823,95 6.449,96 41.603,97 8.711,98 0.339,99 0.883,100 18.323,101 5.957,102 40.75,103 8.139,104 37,105 47,106 0.254,107 0.593,108 0.807,109 0.87,110 0.883,111 0.883,112 3.34,113 0.933,114 -1.29,115 -1.38,116 -1.44,121 40.4,122 2,123 1,125 1,126 2,127 1,130 1,144 7,145 2,146 3,161 1,176 10,178 1,179 1,180 5,182 1,183 2,185 2,187 11,189 2,192 6,193 1,197 3,200 9,201 2,203 2,206 7,211 3,214 4,215 2,216 2,218 1,219 10,224 2,227 2,228 2,229 1,232 3,234 1,237 1,239 4,240 1,243 1,244 2,245 1,247 1,249 2,251 10,258 1,263 1,264 10,269 2,270 1,275 1,277 9,281 993,282 17.504,283 17.504,284 17.504,285 17.504,286 17.504,287 15.884,288 25.878,289 9.776,290 17.864,291 14.756,292 14.756,293 14.756,294 14.756,295 14.756,296 12.295,297 36.932,298 4.612,299 15.354,300 4.189,301 2.169,302 0.898,303 0.52,304 0.443,305 0.443,306 4.027,310 1,311 1,312 1,313 613,314 3.808,317 103.089,318 146.776,320 83.388,321 88.748,324 124.252,325 1.547,326 27.461,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 58.5,338 281,339 4.909,340 4.105,341 8.167,342 4.808,343 3.842,344 4.228,345 2.186,346 15.951,347 3.722,348 4.206,349 3.681,350 7.028,351 3.989,352 3.039,353 3.788,354 1.181,355 11.413,356 2.877,357 4.171,358 3.347,359 6.18,360 3.811,361 2.837,362 3.468,363 0.792,364 8.766,365 2.764,366 3.814,367 2.907,368 6.054,369 3.541,370 2.582,371 3.031,372 0.366,373 8.694,374 2.472,375 3.622,376 2.744,377 5.631,378 3.367,379 2.431,380 2.761,382 7.399,383 2.257,384 3.382,385 2.596,386 5.359,387 3.005,388 2.033,389 2.577,391 6.066,392 1.955,393 2.879,394 1.885,395 4.783,396 2.573,397 1.618,398 2.041,400 5.145,401 1.539,402 2.835,403 1.669,404 4.348,405 2.414,406 1.414,407 1.93,409 3.558,410 1.414,411 2.788,412 1.472,413 4.081,414 2.359,415 1.369,416 1.857,418 3.089,419 1.349,420 2.519,421 1.186,422 3.781,423 2.136,424 1.142,425 1.523,427 2.958,428 1.134,429 1.818,430 0.938,431 3.595,432 1.736,433 0.764,434 0.797,436 1.926,437 0.741,438 1.416,439 0.757,440 3.157,441 1.132,442 0.186,443 0.217,445 0.463,446 0.174,447 1.244,448 0.487,449 3,450 0.896,451 -0.072,452 -0.083,454 -0.186,455 -0.069,456 0.858,457 0.093,458 2.995,459 0.731,460 -0.216,461 -0.236,463 -0.574,464 -0.203,465 0.787,466 -0.042,467 2.814,468 0.41,469 -0.578,470 -0.701,472 -1.387,473 -0.562,474 12.7,475 0.47,476 1.037,477 0.038,478 33,479 1.222,480 15,481 0.556,482 18,483 0.667,484 25.607,485 0.948,486 29.9,487 0.575,488 25.481,489 0.944,490 6.394,491 0.237,492 6.327,493 0.234,494 0.21,495 0.071,496 0.307,501 0.656,502 1.43,503 0.807,504 1.165,505 0.576,506 1.03,507 0.71,508 0.908,509 0.747,510 0.807,511 0.523,512 0.77,513 1.185,514 1.344,515 1.128,516 1.213,517 1.196,518 1.174,519 1.023,520 1.015,521 1.066,522 1.042,523 0.781,524 1.038,525 1.171,526 1.133,527 1.113,528 1.217,529 1.303,530 1.174,531 1.545,532 0.584,533 0.854,534 0.59,535 1.366,536 0.623,537 1.252,538 0.985,539 0.993,540 0.968,541 1.145,542 0.959,543 1.525,544 0.942,545 1.253,546 0.964,547 1.774,548 1.05,549 8,550 0.216,551 4.667,552 4.271,553 1.953,554 0.875,555 0.709,556 0.332,557 0.336,558 0.266,559 8667,560 20717,561 2.035,562 48.1,563 6,564 15,565 1,567 1,569 2,572 1.699,573 1.841,574 3.305,575 -0.346,576 1,577 1,582 78.578,583 1.511,584 3.531,585 4.803,586 5.181,587 5.258,588 5.258,589 2.707,590 4.607,591 4.729,592 3.499,593 1228.3,594 8.197,595 15468.6,597 1,599 1,600 296.423,601 1.808,602 4.64,603 0.267,604 0.01,605 0.099,606 0.087,607 0.045,608 0.027,609 0.026,610 0.013,611 0.014,612 0.012,613 0.6,614 0.67,615 1,616 0.658,617 132.891,618 0.084,619 -0.185,620 0.077,621 -0.064,622 -0.055,623 -0.011,624 0.206,625 0.255,626 0.199,627 0.209,628 0.16,629 0.209,630 -0.119,631 -0.25,632 -0.174,633 -0.186,634 -0.128,635 -0.195,636 -0.106,637 0.014,638 -0.091,639 -0.085,640 0.03,641 -0.074,642 -0.045,643 -0.219,644 -0.114,645 -0.239,646 -0.065,647 -0.196,648 -0.102,649 0.213,650 0.225,651 0.323,652 -0.092,653 0.323,654 0.11,655 0.003,656 0.019,657 0.027,658 0.021,659 0.003,660 -0.192,661 0.121,662 -0.247,663 0.005,664 -0.264,665 -0.114,666 2.187,667 5.898,668 0.667,669 22.642,670 1,671 1.129,672 0.064,673 0.004,674 0.649,675 3.434,676 3.871,677 4.19,678 4.543,679 4.745,680 4.804,681 4.997,682 5.075,683 5.075,684 5.147,685 6.244,686 0.615,687 367.49,688 3.434,689 5.043,690 5.938,691 6.887,692 7.805,693 8.761,694 9.695,695 10.656,696 11.6,697 12.566,698 5.8,704 1,705 1,712 1,715 7,720 5,722 12,736 1,737 1,741 52,743 13,744 2,745 30,747 55,748 21,749 12,750 5,751 7,756 4,757 7,763 2,764 1,766 1,767 1,770 1,772 13,773 8,777 1,782 1,786 1,789 1,790 1,793 25,794 5,795 1,796 6,802 3,803 1,807 1,808 0.5,809 3,825 1,828 2,829 2,831 1,832 1,835 1,859 2,864 4,868 27,876 2,877 1,878 1,880 1,881 1,882 1,883 1,893 5.8,896 1,898 1,900 1,901 14.667,902 10.593,903 5.611,904 3.151,907 2.181,908 1.282,909 0.94,910 4.131,911 9.924,912 3.638,913 4.248,914 4.762,915 5.314,916 5.795,917 5.948,918 6.291,919 6.57,920 6.716,921 6.91,922 0.857,923 49,924 10.065,926 4.45,927 0.026,929 7.762,931 19.266,933 16.551,936 2.262,937 61.083,941 282.506,942 129.308,943 21.135,945 62.981,948 129.308,949 345.487,950 21.135,951 34.443,952 49.487,953 66.334,954 25.145,955 31.252,956 18.534,957 270.735,959 282.506,960 150.443,961 62.981,964 285.8,965 59.687,968 40.301,969 110.141,972 282.506,973 84.116,974 129.308,977 282.506,978 28.531,979 103.901,980 18.011,981 62.981,982 282.506,983 84.116,984 129.308,986 0.612,987 0.365,988 0.202,989 0.107,990 26,991 12,992 0.055,993 3,994 2,995 1.222,996 3.725,997 245.354,998 0.222,999 18,1000 126.382,1005 18.145,1006 6.147,1007 2.858,1009 84.116,1010 13.193,1015 4.3,1017 18.011,1018 495.93,1019 37,1024 12.312,1028 -0.52,1031 52.007,1032 58.69,1034 0.265,1035 0.619,1036 0.843,1037 0.909,1038 0.922,1039 0.922,1040 4.963,1041 1.414,1042 6.028,1043 5.145,1044 4.554,1045 4.934,1046 2.525,1047 7.015,1048 4.477,1049 6.218,1050 1.369,1051 7.71,1052 3.558,1053 4.575,1054 4.945,1055 2.026,1056 8.527,1057 4.454,1058 7.584,1059 1.142,1060 9.513,1061 3.089,1062 6.389,1063 7.095,1064 3.568,1065 11.674,1066 6.234,1067 8.985,1068 0.764,1069 11.392,1070 2.958,1071 7.194,1072 7.822,1073 3.654,1074 14.018,1075 7.003,1076 10.419,1077 0.186,1078 13.321,1079 1.926,1080 8.617,1081 9.555,1082 4.928,1083 16.854,1084 8.397,1085 11.878,1086 -0.072,1087 15.287,1088 0.463,1089 9.738,1090 10.609,1091 5.305,1092 19.481,1093 9.486,1094 13.357,1095 -0.216,1096 17.28,1097 -0.186,1098 11.066,1099 12.176,1100 6.394,1101 22.255,1102 10.786,1103 3.842,1104 -0.578,1105 19.294,1106 -0.574,1107 12.313,1108 13.396,1109 6.935,1110 24.975,1111 12.003,1112 3.039,1113 15.951,1114 21.325,1115 -1.387,1116 13.628,1117 14.887,1118 7.904,1119 27.739,1120 13.29,1121 2.837,1122 11.413,1123 23.369,1124 4.228,1125 14.926,1126 16.197,1127 8.54,1128 30.49,1129 14.559,1130 2.582,1131 8.766,1132 25.423,1133 3.788,1134 16.248,1135 17.652,1136 9.436,1137 33.255,1138 15.852,1139 2.431,1140 8.694,1141 27.486,1142 3.468,1143 17.57,1144 19.012,1145 10.13,1146 36.016,1147 17.144,1148 2.033,1149 7.399,1150 29.556,1151 3.031,1152 18.9,1153 20.451,1154 10.982,1155 38.783,1156 18.445,1157 1.618,1158 6.066,1159 31.631,1160 2.761,1161 20.233,1162 21.841,1163 11.71,1164 41.549,1165 19.747,1166 8291,1167 12929,1168 19.186,1169 33.756,1170 47.138,1171 47.768,1172 49.126,1173 46.541,1174 46.512,1175 56.439,1176 9.05,1177 150.855,1178 44.792,1179 5.873,1180 6.105,1181 7.855,1182 5.899,1183 5.842,1184 7.228,1185 3.889,1186 24.922,1187 5.722,1188 15.951,1189 1.571,1190 1.592,1191 1.638,1192 1.551,1193 1.55,1194 1.881,1195 0.302,1196 5.029,1197 1.493,1198 4.118,1199 4.159,1200 4.064,1201 4.007,1202 7.435,1203 4.015,1204 3.928,1205 3.961,1206 3.865,1207 3.855,1208 7.236,1209 3.852,1210 3.747,1211 3.787,1212 3.673,1213 3.592,1214 4.837,1215 3.602,1216 3.412,1217 3.449,1218 3.357,1219 3.123,1220 4.744,1221 3.167,1222 3.299,1223 3.389,1224 3.121,1225 3.084,1226 4.389,1227 3.082,1228 3.249,1229 3.321,1230 3.1,1231 3.031,1232 4.081,1233 3.026,1234 3.169,1235 3.256,1236 2.962,1237 2.986,1238 3.938,1239 2.988,1240 2.98,1241 3.095,1242 2.71,1243 2.768,1244 3.889,1245 2.734,1246 0.164,1247 0.137,1248 0.272,1249 0.16,1250 0.128,1251 4.909,1252 0.141,1253 4.105,1254 0.073,1255 8.167,1256 0.532,1257 4.808,1258 0.124,1259 3.842,1260 4.228,1261 2.186,1262 15.951,1263 3.722,1264 1.919,1265 1.894,1266 2.036,1267 2.023,1268 1.31,1269 2.025,1270 1.897,1271 1.874,1272 2.003,1273 1.986,1274 1.154,1275 1.991,1276 1.661,1277 1.598,1278 1.854,1279 1.929,1280 1.135,1281 1.91,1282 1.588,1283 1.522,1284 1.821,1285 1.774,1286 1.025,1287 1.795,1288 1.261,1289 1.21,1290 1.583,1291 1.572,1292 0.648,1293 1.552,1294 1.209,1295 1.129,1296 1.553,1297 1.447,1298 0.604,1299 1.47,1300 1.149,1301 1.08,1302 1.454,1303 1.418,1304 0.57,1305 1.434,1306 1.017,1307 0.903,1308 1.312,1309 1.292,1310 0.353,1311 1.354,1312 4.111,1314 5.517,1315 3.045,1316 7.116,1317 5.687,1318 8.807,1319 8.009,1320 10.556,1322 7.782,1328 1.4,1329 2.779,1330 5.527,1332 -0.149,1333 2.076,1334 -0.244,1335 -0.272,1340 32.003,1341 78.578,1342 183.633,1343 249.752,1344 269.403,1345 273.403,1346 273.403,1347 53.864,1348 7.743,1349 58.64,1350 58.64,1351 22,1352 13.049,1353 3.807,1354 3,1355 40.377,1356 103,1357 97,1358 0.198,1359 194.516,1360 341.51,1361 466.379,1362 23942,1364 19.397,1365 0.718,1366 0.599,1367 19.397,1368 16.175,1369 12.721,1370 0.424,1371 0.311,1372 9.184,1373 12.181,1374 8.828,1375 7.327,1376 12.721,1377 9.33,1378 12.879,1379 0.274,1380 0.175,1381 12.879,1382 8.217,1383 10.651,1384 0.164,1385 0.096,1386 10.651,1387 6.25,1388 9.579,1389 0.103,1390 0.054,1391 9.579,1392 4.993,1393 7.484,1394 0.066,1395 0.029,1396 7.484,1397 3.308,1398 0.309,1399 80.071,1400 0.228,1401 25.676,1402 0.546,1403 154,1404 421.755,1405 170.487,1406 401.393,1407 547.49,1408 374,1409 189,1410 408.183,1411 206.743,1412 410.008,1413 606.67,1414 384,1415 6.745}
{0 CHEMBL556581,1 1.354,2 22.917,3 7.314,4 53.499,5 202.158,6 6.121,7 0.24,8 4.714,9 4.854,10 4.09,11 4.197,12 5.678,13 4.136,14 5.294,15 5.514,16 4.372,17 4.564,18 6.153,19 4.47,20 5.565,21 5.819,22 4.52,23 4.752,24 6.407,25 4.636,26 5.686,27 5.929,28 4.53,29 4.866,30 6.52,31 4.719,32 5.855,33 6.136,34 4.47,35 4.937,36 6.632,37 4.749,38 5.866,39 6.162,40 4.356,41 4.893,42 6.585,43 4.688,44 5.773,45 6.072,46 4.232,47 4.792,48 6.484,49 4.58,50 5.663,51 5.965,52 4.126,53 4.678,54 6.362,55 4.461,56 0.12,57 1.469,58 26.549,59 10.584,60 18.855,61 15.177,62 0.393,63 2.316,64 46.963,65 16.211,66 41.096,67 24.392,68 0.626,69 2.868,70 60.921,71 20.699,72 67.609,73 31.401,74 0.752,75 3.185,76 68.529,77 24.718,78 73.987,79 36.532,80 0.817,81 3.521,82 79.573,83 28.776,84 101.975,85 42.659,86 0.779,87 3.424,88 79.979,89 28.265,90 88.223,91 42.179,92 0.772,93 3.092,94 72.817,95 26.091,96 81.024,97 38.536,98 0.564,99 2.771,100 64.701,101 23.394,102 67.91,103 34.869,104 81,105 64,106 0.196,107 0.465,108 0.669,109 0.768,110 0.796,111 0.811,112 3.894,113 1.082,114 -4.72,115 -4.64,116 -4.36,121 37,122 4,123 8,126 2,127 6,129 2,137 2,140 2,144 8,145 2,146 2,158 2,176 14,180 15,185 3,187 14,191 1,192 11,196 1,197 3,200 9,205 2,206 11,209 2,211 1,214 16,219 6,222 2,224 2,227 16,232 6,237 2,239 20,243 1,244 5,247 1,249 3,251 20,256 5,261 3,264 10,269 9,274 5,277 7,281 6468,282 32.794,283 32.794,284 32.794,285 32.794,286 32.794,287 30.56,288 42.795,289 19.986,290 33.567,291 24.376,292 24.376,293 24.376,294 24.376,295 24.376,296 20.865,297 57.177,298 9.091,299 25.339,300 5.401,301 3.545,302 2.134,303 1.452,304 1.26,305 1.153,306 4.576,312 1,313 2272,314 5.831,318 652.709,325 4.181,326 38.01,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 102,338 1100,339 4.381,340 3.581,341 6.606,342 4.032,343 3.068,344 3.867,345 0.916,346 10.415,347 2.957,348 4.314,349 3.399,350 6.606,351 4.032,352 3.068,353 3.867,354 0.916,355 10.415,356 2.957,357 4.314,358 3.399,359 6.25,360 3.974,361 2.988,362 3.846,363 0.86,364 9.366,365 2.947,366 3.773,367 2.889,368 5.741,369 3.403,370 2.47,371 3.014,372 0.86,373 7.583,374 2.34,375 3.603,376 2.802,377 5.71,378 3.402,379 2.47,380 2.691,381 0.6,382 7.539,383 2.299,384 3.603,385 2.802,386 5.71,387 3.391,388 2.422,389 2.691,390 0.4,391 7.539,392 2.298,393 3.266,394 2.437,395 4.592,396 2.846,397 1.854,398 2.385,399 0.172,400 4.72,401 1.835,402 2.923,403 2.059,404 4.592,405 2.835,406 1.849,407 2.088,408 0.172,409 4.448,410 1.822,411 2.917,412 2.055,413 4.559,414 2.696,415 1.714,416 2.088,418 4.447,419 1.677,420 2.917,421 1.944,422 3.934,423 2.592,424 1.636,425 1.994,427 3.711,428 1.562,429 2.908,430 1.772,431 3.851,432 2.552,433 1.59,434 1.99,436 3.583,437 1.526,438 2.826,439 1.662,440 3.752,441 2.458,442 1.484,443 1.84,445 3.131,446 1.436,447 2.756,448 1.576,449 3.699,450 2.455,451 1.476,452 1.765,454 3.098,455 1.436,456 2.575,457 1.56,458 3.638,459 2.33,460 1.362,461 1.507,463 2.954,464 1.314,465 2.324,466 1.313,467 3.52,468 2.213,469 1.229,470 1.301,472 2.627,473 1.208,474 22.933,475 0.478,476 0.836,477 0.017,478 48,479 1,480 19,481 0.396,482 29,483 0.604,484 61.591,485 1.283,486 56.267,487 0.521,488 40.044,489 0.834,490 9.119,491 0.19,492 14.217,493 0.296,494 0.16,496 0.253,501 0.882,502 1.51,503 1.021,504 1.331,505 0.783,506 1.21,507 1.153,508 1.203,509 1.043,510 1.069,511 0.68,512 1.037,513 0.971,514 1.024,515 0.948,516 0.957,517 0.735,518 0.939,519 0.926,520 1.189,521 1.117,522 1.188,523 0.833,524 1.175,525 0.87,526 1.045,527 1.039,528 1.072,529 0.838,530 1.075,531 1.001,532 0.953,533 1.034,534 0.991,535 1.049,536 1.013,537 0.996,538 0.904,539 1.033,540 0.975,541 1.062,542 1.008,543 0.83,544 1.014,545 0.969,546 1.024,547 1.065,548 1.018,549 7,550 0.231,551 5.333,552 3.5,553 2.649,554 1.278,555 0.811,556 0.51,557 0.304,558 0.242,559 55220,560 115166,561 1.972,562 55.6,563 8,564 30,567 2,569 20,572 1.833,573 1.846,574 4.384,575 0.023,582 146.237,583 1.354,584 3.209,585 4.621,586 5.303,587 5.495,588 5.602,589 3.772,590 4.387,591 5.559,592 4.704,593 5306.14,594 9.812,595 128285,600 729.528,601 1.384,602 5.513,603 0.14,604 0.005,605 0.083,606 0.048,607 0.038,608 0.02,609 0.014,610 0.01,611 0.007,612 0.006,613 0.372,614 0.17,615 0.75,616 0.846,617 301.548,618 0.003,619 -0.183,620 0.043,621 -0.08,622 -0.022,623 -0.025,624 -0.08,625 -0.034,626 0.006,627 0.002,628 0.046,629 0.014,630 0.026,631 0.073,632 0.074,633 0.059,634 0.12,635 0.074,636 0.049,637 -0.105,638 -0.105,639 -0.135,640 0.028,641 -0.139,642 0.009,643 -0.055,644 -0.063,645 -0.07,646 0.034,647 -0.074,648 -0.076,649 -0.002,650 -0.063,651 -0.022,652 -0.09,653 -0.037,654 -0.058,655 0.034,656 -0.064,657 -0.008,658 -0.092,659 -0.034,660 -0.019,661 -0.084,662 -0.017,663 -0.049,664 -0.076,665 -0.037,666 1.817,667 5.685,668 0.375,669 92.917,670 0.986,671 1.134,672 3.493,673 12.204,674 0.622,675 3.932,676 4.174,677 4.419,678 4.575,679 4.691,680 4.595,681 4.533,682 4.466,683 4.443,684 4.419,685 13.872,686 0.571,687 661.04,688 3.932,689 5.434,690 6.256,691 7.094,692 7.933,693 8.778,694 9.624,695 10.472,696 11.321,697 12.171,698 3.7,700 1,701 2,707 1,715 8,720 4,722 12,739 2,741 108,743 16,744 2,745 50,747 110,748 40,749 12,750 4,751 8,752 6,756 3,757 3,763 4,770 10,772 18,773 22,777 4,782 1,784 2,785 1,786 4,793 60,794 8,795 2,796 8,802 4,808 1,809 4,829 3,839 1,841 1,849 4,853 1,855 2,857 1,859 3,864 6,868 48,875 1,876 14,877 1,878 2,880 2,881 2,893 3.7,895 1,896 1,898 2,901 26,902 20.55,903 11.389,904 7.296,907 2.825,908 1.353,909 0.91,910 18.007,911 10.82,912 4.111,913 4.554,914 5.04,915 5.446,916 5.841,917 5.795,918 5.846,919 5.815,920 5.821,921 5.765,922 0.933,923 73,924 17.86,926 7.135,927 0.026,929 7.552,931 35.153,933 27.822,936 2.052,937 98.5,941 682.724,942 212.245,943 41.045,945 89.828,948 212.245,949 772.552,950 41.045,951 57.067,952 32.91,953 112.773,954 78.475,955 61.892,957 682.724,959 682.724,960 253.29,961 89.828,964 447.302,965 325.25,968 109.256,969 122.324,970 21.709,972 682.724,973 130.873,974 212.245,977 682.724,978 60.415,979 158.078,980 18.011,981 106.614,982 682.724,983 130.873,984 212.245,986 0.555,987 0.34,988 0.182,989 0.093,990 21,991 12,992 0.209,993 23,995 1,996 5.813,997 434.618,999 18,1000 266.078,1005 39.477,1006 21.895,1007 12.465,1009 130.873,1010 16.51,1015 4.329,1017 60.694,1018 1025.84,1019 60,1024 12.685,1026 2.986,1027 4.501,1028 0.761,1031 106.457,1032 122.456,1034 0.2,1035 0.475,1036 0.684,1037 0.785,1038 0.814,1039 0.829,1040 5.328,1041 1.849,1042 6.201,1043 4.72,1044 4.86,1045 5.242,1046 2.08,1047 6.963,1048 4.788,1049 6.468,1050 1.714,1051 7.736,1052 4.448,1053 4.29,1054 4.844,1055 0.57,1056 7.842,1057 4.174,1058 7.737,1059 1.636,1060 9.382,1061 4.447,1062 6.399,1063 7.257,1064 1.689,1065 10.938,1066 6.259,1067 9.045,1068 1.59,1069 11.096,1070 3.711,1071 6.735,1072 7.744,1073 0.674,1074 12.674,1075 6.547,1076 10.392,1077 1.484,1078 12.854,1079 3.583,1080 8.24,1081 9.601,1082 1.417,1083 15.278,1084 8.037,1085 11.765,1086 1.476,1087 14.641,1088 3.131,1089 8.995,1090 10.502,1091 0.66,1092 17.344,1093 8.748,1094 13.159,1095 1.362,1096 16.448,1097 3.098,1098 10.26,1099 12.118,1100 1.203,1101 19.78,1102 9.997,1103 3.068,1104 1.229,1105 18.269,1106 2.954,1107 11.21,1108 13.227,1109 0.611,1110 21.988,1111 10.908,1112 3.068,1113 10.415,1114 20.1,1115 2.627,1116 12.377,1117 14.724,1118 1.023,1119 24.361,1120 12.056,1121 2.988,1122 10.415,1123 21.94,1124 3.867,1125 13.415,1126 15.94,1127 0.55,1128 26.633,1129 13.059,1130 2.47,1131 9.366,1132 23.785,1133 3.867,1134 14.545,1135 17.374,1136 0.869,1137 28.982,1138 14.166,1139 2.47,1140 7.583,1141 25.635,1142 3.846,1143 15.622,1144 18.649,1145 0.487,1146 31.286,1147 15.211,1148 2.422,1149 7.539,1150 27.49,1151 3.014,1152 16.739,1153 20.047,1154 0.735,1155 33.626,1156 16.302,1157 1.854,1158 7.539,1159 29.348,1160 2.691,1161 17.834,1162 21.354,1163 0.427,1164 35.946,1165 17.367,1166 54012,1167 78230,1168 32.591,1169 67.16,1170 71.384,1171 72.559,1172 74.93,1173 70.762,1174 70.804,1175 84.444,1176 9.795,1177 190.028,1178 68.229,1179 5.349,1180 5.581,1181 6.469,1182 5.065,1183 5.068,1184 6.867,1185 1.776,1186 17.515,1187 4.957,1188 29.359,1189 1.428,1190 1.451,1191 1.499,1192 1.415,1193 1.416,1194 1.689,1195 0.196,1196 3.801,1197 1.365,1198 4.006,1199 4.046,1200 3.935,1201 3.908,1202 7.428,1203 3.909,1204 3.939,1205 3.971,1206 3.876,1207 3.859,1208 6.469,1209 3.859,1210 3.91,1211 3.938,1212 3.865,1213 3.796,1214 4.88,1215 3.809,1216 3.759,1217 3.823,1218 3.614,1219 3.624,1220 4.848,1221 3.611,1222 3.746,1223 3.801,1224 3.611,1225 3.618,1226 4.618,1227 3.606,1228 3.623,1229 3.697,1230 3.481,1231 3.447,1232 4.4,1233 3.444,1234 3.59,1235 3.66,1236 3.435,1237 3.427,1238 4.396,1239 3.42,1240 3.409,1241 3.492,1242 3.248,1243 3.232,1244 4.351,1245 3.222,1246 0.088,1247 0.072,1248 0.132,1249 0.081,1250 0.061,1251 4.381,1252 0.077,1253 3.581,1254 0.018,1255 6.606,1256 0.208,1257 4.032,1258 0.059,1259 3.068,1260 3.867,1261 0.916,1262 10.415,1263 2.957,1264 1.928,1265 1.901,1266 2.064,1267 2.047,1268 1.385,1269 2.054,1270 1.927,1271 1.9,1272 2.062,1273 2.045,1274 1.382,1275 2.052,1276 1.856,1277 1.829,1278 2.011,1279 2.006,1280 1.247,1281 2.001,1282 1.77,1283 1.708,1284 1.999,1285 1.932,1286 1.244,1287 1.957,1288 1.742,1289 1.686,1290 1.908,1291 1.9,1292 1.087,1293 1.913,1294 1.61,1295 1.538,1296 1.862,1297 1.816,1298 1.069,1299 1.835,1300 1.588,1301 1.518,1302 1.836,1303 1.782,1304 0.984,1305 1.805,1306 1.412,1307 1.333,1308 1.719,1309 1.632,1310 0.952,1311 1.664,1312 4.615,1314 5.878,1316 7.34,1318 8.9,1320 10.513,1322 12.359,1327 10.548,1328 13.863,1329 3.246,1330 11.144,1332 0.595,1333 4.972,1340 61.695,1341 146.237,1342 346.621,1343 499.024,1344 572.734,1345 593.489,1346 604.999,1347 150.268,1348 7.996,1349 86.63,1350 86.63,1351 18,1352 12.729,1353 4.087,1354 3.459,1355 118.993,1356 410,1357 308,1358 0.134,1359 386.172,1360 694.44,1361 934.02,1362 48232,1364 34.727,1365 0.723,1366 0.632,1367 34.727,1368 30.341,1369 23.336,1370 0.467,1371 0.361,1372 17.822,1373 22.531,1374 17.223,1375 14.484,1376 23.336,1377 18.033,1378 18.925,1379 0.296,1380 0.196,1381 18.925,1382 12.567,1383 16.129,1384 0.197,1385 0.116,1386 16.129,1387 9.486,1388 12.544,1389 0.131,1390 0.068,1391 12.544,1392 6.487,1393 9.342,1394 0.086,1395 0.038,1396 9.342,1397 4.101,1398 0.229,1399 145.462,1400 0.175,1401 43.796,1402 0.325,1403 228,1404 578.624,1405 246.235,1406 553.428,1407 753.57,1408 522,1409 260,1410 540.49,1411 279.07,1412 549.292,1413 795.8,1414 516,1415 5.102}
{0 CHEMBL556939,1 1.214,2 6.826,3 2.354,4 5.542,5 88.537,6 5.828,8 4.095,9 4.219,10 3.468,11 3.627,12 4.889,13 3.559,14 4.778,15 4.964,16 3.972,17 4.196,18 5.453,19 4.102,20 5.247,21 5.451,22 4.228,23 4.552,24 5.944,25 4.421,26 5.572,27 5.831,28 4.205,29 4.664,30 6.288,31 4.483,32 5.59,33 5.886,34 4.002,35 4.561,36 6.277,37 4.339,38 5.47,39 5.796,40 3.586,41 4.258,42 6.221,43 4.007,44 4.956,45 5.281,46 3.153,47 3.818,48 5.583,49 3.56,50 4.635,51 4.989,52 2.531,53 3.279,54 5.307,55 2.983,56 0.077,57 0.753,58 14.713,59 6.496,60 8.351,61 8.809,62 0.168,63 1.401,64 28.195,65 12.162,66 16.005,67 16.771,68 0.276,69 2.117,70 44.552,71 18.394,72 24.275,73 25.704,74 0.65,75 2.576,76 59.716,77 22.397,78 61.754,79 32.042,80 0.521,81 2.466,82 58.991,83 21.539,84 59.077,85 31.37,86 0.841,87 1.932,88 51.734,89 16.758,90 97.342,91 24.768,92 0.309,93 1.221,94 30.463,95 10.699,96 31.848,97 15.813,98 0.429,99 0.769,100 21.897,101 6.686,102 37.898,103 10.086,104 27,105 48,106 0.206,107 0.404,108 0.672,109 0.84,110 0.889,111 0.889,112 3.193,113 1.087,114 -4.57,115 -4.49,116 -4.23,121 36.4,122 3,123 7,124 3,125 3,127 1,129 2,132 1,176 16,180 3,185 3,187 25,192 3,197 6,200 29,206 3,209 1,211 7,214 21,219 3,224 9,227 14,232 2,236 1,237 3,239 9,244 2,249 2,251 4,259 1,261 1,264 2,274 1,281 519,282 15.102,283 15.102,284 15.102,285 15.102,286 15.102,287 15.102,288 9.389,289 7.725,290 15.236,291 13.124,292 13.124,293 13.124,294 13.124,295 13.124,296 13.124,297 12.251,298 3.427,299 13.398,300 4.567,301 3.402,302 1.829,303 0.841,304 0.55,305 0.55,306 3.883,310 1,311 1,312 1,313 359,314 3.937,315 18.385,317 29.85,318 139.355,319 40.489,320 46.56,322 114.424,323 62.127,324 68.198,325 1.066,326 26.39,328 1,329 1,330 1,331 1,332 0.8,333 1,334 1,335 1,336 0.97,337 49,338 157,339 5.058,340 4.221,341 8.574,342 5.035,343 4.058,344 4.058,345 0.86,346 17.726,347 3.974,348 4.69,349 3.766,350 8.037,351 4.673,352 3.69,353 3.69,355 15.337,356 3.622,357 4.215,358 3.312,359 7.57,360 4.196,361 3.215,362 3.215,364 13.335,365 3.146,366 3.87,367 2.936,368 7.053,369 3.857,370 2.87,371 2.87,373 11.383,374 2.825,375 3.049,376 2.168,377 5.682,378 3.027,379 2.049,380 2.049,382 6.561,383 1.998,384 2.866,385 2.049,386 5.548,387 2.837,388 1.866,389 1.866,391 6.025,392 1.806,393 2.406,394 1.424,395 4.767,396 2.402,397 1.406,398 1.406,400 3.779,401 1.399,402 2.157,403 1.283,404 4.622,405 2.139,406 1.157,407 1.157,409 3.255,410 1.132,411 1.768,412 1.171,413 3.868,414 1.711,415 0.768,416 0.768,418 2.025,419 0.716,420 1.512,421 0.852,422 3.677,423 1.446,424 0.512,425 0.512,427 1.318,428 0.472,429 1.24,430 0.541,431 3.443,432 1.152,433 0.24,434 0.24,436 0.404,437 0.217,438 0.77,439 -0.084,440 3.332,441 0.746,442 -0.23,443 -0.23,445 -0.607,446 -0.224,447 0.626,448 -0.25,449 3.243,450 0.597,451 -0.374,452 -0.374,454 -1.052,455 -0.362,456 0.367,457 -0.407,458 3.113,459 0.323,460 -0.633,461 -0.633,463 -2.21,464 -0.594,465 0.206,466 -0.541,467 3.103,468 0.161,469 -0.794,470 -0.794,472 -2.307,473 -0.746,474 11,475 0.478,476 1.033,477 0.045,478 14.5,479 0.63,482 14.5,483 0.63,484 38.363,485 1.668,486 28,487 0.509,488 4.787,489 0.208,490 0.986,491 0.043,492 9.825,493 0.427,494 0.197,495 0.182,496 0.227,501 0.911,502 1.223,503 1.043,504 1.212,505 1.012,506 1.152,507 0.769,508 1.061,509 0.932,510 1.056,511 0.719,512 1.019,513 0.82,514 1.308,515 1.123,516 1.304,517 0.7,518 1.257,519 1.003,520 1.135,521 1.109,522 1.138,523 1.028,524 1.137,525 0.871,526 1.107,527 1.003,528 1.103,529 0.863,530 1.073,531 1.399,532 0.713,533 0.982,534 0.719,535 1.524,536 0.791,537 0.893,538 0.946,539 0.919,540 0.945,541 0.893,542 0.936,543 1.282,544 0.6,545 0.857,546 0.605,547 1.084,548 0.671,549 9,551 6.111,552 4.264,553 3.226,554 1.449,555 0.529,556 0.385,557 0.128,559 4627,560 7603,561 2.119,562 58.2,563 20,564 4,567 2,569 6,572 1.669,573 1.89,574 2.733,575 0.193,576 1,577 1,582 66.781,583 1.214,584 2.379,585 3.953,586 4.94,587 5.231,588 5.231,589 2.235,590 4.263,591 4.501,592 2.815,593 712.302,594 7.808,595 7323.71,597 1,599 1,600 317.975,601 1.926,602 4.389,603 0.333,605 0.136,606 0.079,607 0.067,608 0.04,609 0.024,610 0.027,611 0.021,613 0.728,614 0.67,615 0.88,616 0.872,617 100.868,618 -0.048,619 0.125,620 0.071,621 0.126,622 -0.122,623 0.114,624 -0.023,625 0.169,626 0.116,627 0.17,628 -0.024,629 0.161,630 -0.03,631 -0.135,632 -0.093,633 -0.134,634 -0.01,635 -0.123,636 -0.011,637 -0.112,638 -0.11,639 -0.116,640 -0.033,641 -0.124,642 -0.002,643 -0.155,644 -0.051,645 -0.148,646 0.024,647 -0.111,648 -0.072,649 0.121,650 -0.008,651 0.112,652 -0.047,653 0.066,654 -0.003,655 -0.066,656 0.007,657 -0.059,658 -0.028,659 -0.029,660 0.055,661 0.16,662 0.09,663 0.155,664 0.034,665 0.13,666 1.577,667 5.313,668 0.739,669 11.981,670 0.984,671 1.132,672 3.34,673 11.155,674 0.61,675 3.332,676 3.892,677 4.331,678 4.727,679 5.088,680 5.328,681 5.537,682 5.687,683 5.823,684 5.841,685 4.125,686 0.556,687 320.52,688 3.332,689 5.017,690 5.999,691 7.02,692 8.025,693 9.049,694 10.06,695 11.086,696 12.102,697 13.129,741 55,745 27,747 59,748 20,756 5,757 15,763 4,764 3,766 3,767 9,768 4,770 9,773 20,774 4,789 1,790 1,793 32,794 3,795 2,796 3,808 0.2,809 3,810 1,811 1,814 1,826 1,828 1,829 4,830 1,831 1,833 2,834 1,835 1,857 2,858 1,859 1,864 3,868 23,875 2,876 8,878 1,880 5,882 4,893 5.5,894 2,897 1,901 12.167,902 10.233,903 4.625,904 3.764,908 1,909 0.861,910 2.744,911 8.021,912 3.332,913 3.892,914 4.331,915 4.727,916 5.088,917 5.328,918 5.537,919 5.687,920 5.823,921 5.841,922 0.8,923 54,924 8.752,926 4.225,927 0.026,929 7.464,931 17.912,933 18.179,936 1.964,937 45.167,938 0.002,940 1,941 353.133,942 44.217,945 96.367,948 44.217,949 449.5,951 26.476,952 17.742,953 85.367,954 11,957 353.133,959 353.133,960 44.217,961 96.367,964 282.506,965 70.627,966 96.367,968 44.217,972 353.133,973 96.367,974 44.217,977 353.133,978 17.742,979 26.476,981 96.367,982 353.133,983 96.367,984 44.217,986 0.639,987 0.412,988 0.221,989 0.122,990 32,991 13,992 0.017,993 1,994 5,995 1.529,996 3.191,997 231.442,998 0.588,999 16,1000 104.042,1005 15.163,1006 4.162,1007 1.543,1009 96.367,1017 85.367,1018 493.717,1019 27,1031 54.12,1032 62.271,1034 0.21,1035 0.412,1036 0.684,1037 0.855,1038 0.905,1039 0.905,1040 4.82,1041 1.157,1042 6.163,1043 3.779,1044 4.575,1045 4.575,1046 0.908,1047 7.311,1048 4.533,1049 6.105,1050 0.768,1051 7.96,1052 3.255,1053 4.89,1054 4.89,1056 9.184,1057 4.827,1058 7.556,1059 0.512,1060 9.876,1061 2.025,1062 6.661,1063 6.661,1064 0.739,1065 12.374,1066 6.582,1067 9.035,1068 0.24,1069 11.862,1070 1.318,1071 7.688,1072 7.688,1074 14.908,1075 7.585,1076 10.547,1077 -0.23,1078 13.888,1079 0.404,1080 9.125,1081 9.125,1082 0.593,1083 17.807,1084 9.006,1085 12.079,1086 -0.374,1087 15.939,1088 -0.607,1089 10.376,1090 10.376,1092 20.539,1093 10.234,1094 13.625,1095 -0.633,1096 18.007,1097 -1.052,1098 11.744,1099 11.744,1100 0.469,1101 23.381,1102 11.583,1103 4.058,1104 -0.794,1105 20.087,1106 -2.21,1107 13.068,1108 13.068,1110 26.182,1111 12.885,1112 3.69,1113 17.726,1114 22.175,1115 -2.307,1116 14.427,1117 14.427,1118 0.366,1119 29.02,1120 14.225,1121 3.215,1122 15.337,1123 24.27,1124 4.058,1125 15.779,1126 15.779,1128 31.851,1129 15.556,1130 2.87,1131 13.335,1132 26.37,1133 3.69,1134 17.144,1135 17.144,1136 0.283,1137 34.695,1138 16.9,1139 2.049,1140 11.383,1141 28.475,1142 3.215,1143 18.51,1144 18.51,1146 37.541,1147 18.244,1148 1.866,1149 6.561,1150 30.583,1151 2.87,1152 19.881,1153 19.881,1154 0.217,1155 40.393,1156 19.595,1157 1.406,1158 6.025,1159 32.695,1160 2.049,1161 21.255,1162 21.255,1164 43.247,1165 20.948,1166 4386,1167 5618,1168 17.277,1169 33.546,1170 43.662,1171 44.643,1172 47.687,1173 43.603,1174 43.662,1175 43.662,1176 1.72,1177 162.297,1178 42.615,1179 6.058,1180 6.221,1181 7.973,1182 6.122,1183 6.058,1184 6.058,1185 1.72,1186 27.417,1187 5.974,1188 12.349,1189 1.617,1190 1.653,1191 1.766,1192 1.615,1193 1.617,1194 1.617,1195 0.064,1196 6.011,1197 1.578,1198 4.174,1199 4.199,1200 4.1,1201 4.086,1202 6.457,1203 4.084,1204 3.912,1205 3.948,1206 3.815,1207 3.811,1208 6.447,1209 3.807,1210 3.539,1211 3.589,1212 3.408,1213 3.399,1214 4.805,1215 3.392,1216 3.448,1217 3.506,1218 3.29,1219 3.295,1220 4.372,1221 3.284,1222 3.362,1223 3.43,1224 3.18,1225 3.194,1226 4.031,1227 3.18,1228 3.18,1229 3.265,1230 2.963,1231 2.996,1232 3.851,1233 2.975,1234 2.994,1235 3.088,1236 2.764,1237 2.798,1238 3.703,1239 2.772,1240 2.953,1241 3.05,1242 2.668,1243 2.717,1244 3.606,1245 2.692,1246 0.187,1247 0.156,1248 0.318,1249 0.186,1250 0.15,1251 5.058,1252 0.15,1253 4.221,1254 0.032,1255 8.574,1256 0.657,1257 5.035,1258 0.147,1259 4.058,1260 4.058,1261 0.86,1262 17.726,1263 3.974,1264 2.053,1265 2.02,1266 2.205,1267 2.153,1268 1.691,1269 2.172,1270 1.786,1271 1.741,1272 1.991,1273 1.922,1274 1.414,1275 1.947,1276 1.567,1277 1.522,1278 1.791,1279 1.721,1280 1.193,1281 1.745,1282 1.459,1283 1.399,1284 1.736,1285 1.653,1286 1.049,1287 1.682,1288 1.3,1289 1.226,1290 1.627,1291 1.512,1292 0.9,1293 1.554,1294 1.24,1295 1.165,1296 1.573,1297 1.46,1298 0.86,1299 1.503,1300 1.051,1301 0.963,1302 1.418,1303 1.3,1304 0.669,1305 1.337,1306 0.928,1307 0.83,1308 1.356,1309 1.28,1310 0.539,1311 1.313,1312 4.007,1313 1.946,1314 5.509,1315 4.263,1316 7.248,1317 6.512,1318 9.096,1319 8.694,1320 11.004,1322 7.04,1327 21.423,1328 8.427,1330 6.232,1332 1.725,1334 0.32,1340 30.573,1341 66.781,1342 130.852,1343 217.388,1344 271.71,1345 287.71,1346 287.71,1347 49.366,1348 8.021,1349 52.99,1350 52.99,1351 26,1352 13.574,1355 28.272,1356 59,1357 57,1358 0.261,1359 177.639,1360 319.13,1361 425.199,1362 28215,1364 16.251,1365 0.707,1366 0.645,1367 16.251,1368 14.846,1369 10.811,1370 0.4,1371 0.362,1372 9.71,1373 10.562,1374 9.355,1375 7.59,1376 10.811,1377 9.779,1378 11.462,1379 0.239,1380 0.215,1381 11.462,1382 10.301,1383 10.921,1384 0.146,1385 0.125,1386 10.921,1387 9.406,1388 9.488,1389 0.085,1390 0.074,1391 9.488,1392 8.24,1393 8.305,1394 0.052,1395 0.042,1396 8.305,1397 6.765,1398 0.374,1399 66.913,1400 0.241,1401 21.003,1402 0.85,1403 150,1404 258.035,1405 158.415,1406 243.888,1407 343.9,1408 230,1409 201,1410 259.152,1411 211.409,1412 263.639,1413 410.87,1414 249,1415 4.839}
{0 CHEMBL557155,1 1.303,2 15.952,3 9.775,4 95.543,5 177.906,6 6.815,7 0.458,8 4.515,9 4.645,10 4.024,11 4.132,12 5.409,13 4.067,14 5.121,15 5.309,16 4.414,17 4.59,18 5.946,19 4.49,20 5.464,21 5.708,22 4.53,23 4.772,24 6.232,25 4.642,26 5.506,27 5.765,28 4.501,29 4.756,30 6.267,31 4.618,32 5.487,33 5.736,34 4.42,35 4.765,36 6.222,37 4.615,38 5.55,39 5.815,40 4.376,41 4.788,42 6.23,43 4.602,44 5.562,45 5.846,46 4.238,47 4.736,48 6.207,49 4.52,50 5.465,51 5.762,52 4.133,53 4.608,54 6.095,55 4.378,56 0.09,57 1.194,58 19.552,59 8.453,60 11.154,61 11.985,62 0.191,63 2.088,64 37.484,65 15.421,66 23.324,67 22.04,68 0.348,69 2.81,70 56.091,71 21.079,72 40.216,73 30.48,74 0.501,75 2.936,76 58.642,77 21.103,78 48.172,79 30.92,80 0.415,81 2.892,82 56.008,83 20.782,84 39.993,85 30.395,86 0.384,87 2.926,88 60.703,89 24.077,90 40.546,91 34.607,92 0.397,93 2.863,94 64.513,95 24.608,96 42.823,97 35.145,98 0.384,99 2.516,100 61.073,101 22.955,102 40.72,103 32.468,104 5,105 68,106 0.195,107 0.497,108 0.693,109 0.831,110 0.866,111 0.873,112 3.764,113 1.043,114 -7.11,115 -6.9,116 -6.38,121 43.5,122 1,123 12,124 2,127 2,137 1,138 1,144 7,145 4,146 3,148 4,176 23,180 8,185 6,187 31,192 7,197 6,200 21,206 7,209 2,211 11,214 24,219 1,224 6,227 24,232 3,237 5,239 35,244 2,251 30,256 2,260 1,264 30,269 2,277 21,281 3548,282 29.223,283 29.223,284 29.223,285 29.223,286 29.223,287 26.363,288 30.006,289 17.551,290 29.582,291 23.839,292 23.839,293 23.839,294 23.839,295 23.839,296 19.337,297 33.216,298 8.479,299 24.487,300 5.107,301 3.084,302 1.778,303 0.85,304 0.621,305 0.574,306 4.495,308 1,313 1529,314 4,318 664.414,320 120.325,322 652.585,324 186.291,325 2.018,326 21.534,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.67,335 1,336 0.59,337 86.333,338 670,339 4.686,340 3.508,341 6.986,342 4.303,343 3.319,344 4.594,345 0.68,346 11.934,347 3.265,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 4.564,354 0.4,355 11.348,356 3.162,357 4.143,358 3.064,359 6.24,360 3.826,361 2.84,362 3.624,363 0.4,364 9.32,365 2.801,366 3.914,367 2.858,368 5.982,369 3.524,370 2.532,371 3.437,373 8.37,374 2.512,375 3.814,376 2.669,377 5.569,378 3.416,379 2.452,380 3.131,382 7.471,383 2.369,384 3.568,385 2.547,386 5.39,387 3.202,388 2.229,389 2.925,391 6.847,392 2.167,393 3.522,394 2.457,395 5.381,396 3.136,397 2.182,398 2.893,400 6.711,401 2.08,402 3.406,403 2.356,404 5.126,405 3.015,406 2.084,407 2.725,409 6.137,410 1.929,411 3.012,412 2.146,413 4.836,414 2.889,415 1.917,416 2.142,418 5.357,419 1.845,420 2.942,421 1.964,422 4.666,423 2.82,424 1.841,425 2.045,427 4.874,428 1.773,429 2.917,430 1.87,431 4.116,432 2.658,433 1.686,434 1.932,436 3.83,437 1.599,438 2.866,439 1.692,440 4.049,441 2.541,442 1.561,443 1.889,445 3.477,446 1.523,447 2.683,448 1.542,449 3.98,450 2.496,451 1.505,452 1.714,454 3.329,455 1.489,456 2.592,457 1.445,458 3.845,459 2.345,460 1.347,461 1.619,463 3.256,464 1.343,465 2.494,466 1.352,467 3.662,468 2.242,469 1.249,470 1.494,472 2.979,473 1.24,474 20.814,475 0.496,476 0.88,477 0.021,478 48.25,479 1.149,480 22,481 0.524,482 26.25,483 0.625,484 51.197,485 1.219,486 44.586,487 0.525,488 33.002,489 0.786,490 7.913,491 0.188,492 12.723,493 0.303,494 0.058,496 0.336,501 0.815,502 1.168,503 0.781,504 0.987,505 0.725,506 0.964,507 0.826,508 1.197,509 0.827,510 1.036,511 0.656,512 1.018,513 1.015,514 1.107,515 0.884,516 0.97,517 0.927,518 0.951,519 1.058,520 1.035,521 0.858,522 0.932,523 0.884,524 0.94,525 1.271,526 1.027,527 0.959,528 0.987,529 1.091,530 1.048,531 0.739,532 1.048,533 0.9,534 1.063,535 0.785,536 1.082,537 0.956,538 0.971,539 1.049,540 1.049,541 1.049,542 1.071,543 0.89,544 0.898,545 1.071,546 1.006,547 0.988,548 1.009,549 6.5,550 0.144,551 3.556,552 3.25,553 2.702,554 1.292,555 0.824,556 0.587,557 0.324,558 0.251,559 37826,560 73281,561 2.215,562 50.6,563 21,564 12,567 2,568 4,569 4,572 1.805,573 2.136,574 3.823,575 0.007,582 110.719,583 1.303,584 3.326,585 4.631,586 5.559,587 5.789,588 5.836,589 3.033,590 4.803,591 5.374,592 4.128,593 3554.24,594 9.455,595 69786.6,600 544.798,601 1.166,602 5.35,603 0.135,604 0.004,605 0.052,606 0.044,607 0.039,608 0.02,609 0.014,610 0.012,611 0.008,612 0.007,613 0.336,614 0.33,615 0.63,616 0.338,617 245.677,618 0.005,619 -0.002,620 0.048,621 0.044,622 0.064,623 0.057,624 0.025,625 -0.103,626 0.027,627 -0.031,628 0.147,629 -0.013,630 0.011,631 -0.067,632 0.038,633 0.005,634 0.043,635 0.029,636 0.083,637 0.016,638 0.034,639 0.014,640 0.098,641 0.019,642 -0.19,643 0.041,644 -0.109,645 -0.04,646 -0.182,647 -0.088,648 0.017,649 -0.068,650 -0.035,651 -0.079,652 -0.018,653 -0.09,654 -0.082,655 -0.023,656 -0.076,657 -0.06,658 -0.137,659 -0.08,660 0.017,661 0.011,663 -0.001,664 -0.019,665 -0.009,666 0.904,667 2.27,668 0.738,669 47.143,670 0.981,671 1.12,672 5.875,673 34.517,674 0.672,675 3.892,676 4.234,677 4.564,678 4.927,679 5.252,680 5.416,681 5.591,682 5.771,683 5.849,684 5.872,685 10.078,686 0.617,687 579.29,688 3.892,689 5.451,690 6.326,691 7.229,692 8.126,693 9.041,694 9.948,695 10.869,696 11.781,697 12.705,698 4.7,703 2,708 2,714 4,715 7,716 2,720 7,722 22,734 2,740 1,741 85,743 23,744 2,745 48,747 91,748 37,749 18,750 5,751 7,756 7,757 16,758 1,763 1,767 7,768 2,770 12,772 20,773 17,774 2,777 1,784 1,786 1,793 43,794 4,795 2,796 5,797 1,802 4,808 0.286,822 2,829 7,831 1,833 4,835 1,849 1,850 1,859 2,864 1,865 1,868 42,876 14,877 2,880 2,892 1,901 19.667,902 15.376,903 9.083,904 6,907 5.056,908 1.525,909 1.029,910 8.304,911 14.694,912 4.111,913 4.736,914 5.373,915 6.03,916 6.666,917 7.063,918 7.483,919 7.903,920 8.241,921 8.31,922 0.9,923 74,924 15.649,926 6.773,927 0.026,929 7.328,931 31.735,933 28.007,936 1.828,937 76.778,941 482.615,942 152.779,943 69.593,944 39.149,948 152.779,949 521.764,950 69.593,951 8.825,952 34.626,953 75.81,954 69.593,955 33.519,957 482.615,958 39.149,959 482.615,960 222.372,962 39.149,964 435.531,965 47.084,968 53.253,969 90.05,970 118.217,972 482.615,973 69.593,974 191.928,977 482.615,978 68.144,979 84.635,980 36.022,981 72.72,982 482.615,983 69.593,984 191.928,986 0.577,987 0.339,988 0.203,989 0.122,990 35,991 14,992 0.11,993 10,994 6,995 1.355,996 5.303,997 439.516,998 0.387,999 30,1000 224.477,1005 28.018,1006 12.448,1007 5.9,1008 4.669,1009 69.593,1010 14.852,1011 10.119,1015 8.98,1017 36.022,1018 744.136,1019 60,1026 2.485,1028 1.538,1031 83.403,1032 95.241,1034 0.203,1035 0.519,1036 0.723,1037 0.867,1038 0.903,1039 0.911,1040 5.373,1041 2.084,1042 6.304,1043 6.711,1044 4.92,1045 5.425,1046 0.942,1047 7.151,1048 4.87,1049 6.571,1050 1.917,1051 7.871,1052 6.137,1053 4.443,1054 5.301,1056 8.097,1057 4.354,1058 7.889,1059 1.841,1060 9.543,1061 5.357,1062 6.529,1063 7.682,1064 0.425,1065 11.278,1066 6.441,1067 9.245,1068 1.686,1069 11.281,1070 4.874,1071 6.909,1072 8.434,1074 13.105,1075 6.795,1076 10.639,1077 1.561,1078 13.062,1079 3.83,1080 8.441,1081 10.293,1082 0.194,1083 15.802,1084 8.322,1085 12.061,1086 1.505,1087 14.875,1088 3.477,1089 9.246,1090 11.456,1092 17.997,1093 9.107,1094 13.505,1095 1.347,1096 16.71,1097 3.329,1098 10.552,1099 13.109,1100 0.09,1101 20.532,1102 10.403,1103 3.319,1104 1.249,1105 18.563,1106 3.256,1107 11.563,1108 14.466,1110 22.881,1111 11.396,1112 3.226,1113 11.934,1114 20.43,1115 2.979,1116 12.782,1117 16.036,1118 0.042,1119 25.363,1120 12.602,1121 2.84,1122 11.348,1123 22.307,1124 4.594,1125 13.887,1126 17.481,1128 27.775,1129 13.69,1130 2.532,1131 9.32,1132 24.194,1133 4.564,1134 15.076,1135 19.019,1136 0.019,1137 30.241,1138 14.863,1139 2.452,1140 8.37,1141 26.087,1142 3.624,1143 16.223,1144 20.505,1146 32.681,1147 15.993,1148 2.229,1149 7.471,1150 27.987,1151 3.437,1152 17.404,1153 22.031,1154 0.009,1155 35.142,1156 17.158,1157 2.182,1158 6.847,1159 29.892,1160 3.131,1161 18.571,1162 23.536,1164 37.595,1165 18.307,1166 33707,1167 47149,1168 33.402,1169 57.109,1170 71.844,1171 72.344,1172 73.275,1173 71.767,1174 71.586,1175 90.122,1176 2.96,1177 208.544,1178 69.592,1179 5.651,1180 5.508,1181 6.893,1182 5.345,1183 5.319,1184 7.594,1185 1.36,1186 19.51,1187 5.265,1188 13.249,1189 1.497,1190 1.507,1191 1.527,1192 1.495,1193 1.491,1194 1.878,1195 0.062,1196 4.345,1197 1.45,1198 4.157,1199 4.188,1200 4.146,1201 4.087,1202 5.043,1203 4.089,1204 4.097,1205 4.126,1206 4.066,1207 4.028,1208 4.968,1209 4.032,1210 3.874,1211 3.908,1212 3.866,1213 3.813,1214 4.697,1215 3.802,1216 3.767,1217 3.833,1218 3.627,1219 3.654,1220 4.432,1221 3.64,1222 3.732,1223 3.781,1224 3.615,1225 3.636,1226 4.413,1227 3.619,1228 3.57,1229 3.646,1230 3.569,1231 3.423,1232 4.281,1233 3.415,1234 3.461,1235 3.511,1236 3.381,1237 3.355,1238 4.219,1239 3.344,1240 3.334,1241 3.413,1242 3.206,1243 3.18,1244 4.076,1245 3.173,1246 0.098,1247 0.073,1248 0.146,1249 0.09,1250 0.069,1251 4.686,1252 0.096,1253 3.508,1254 0.014,1255 6.986,1256 0.249,1257 4.303,1258 0.068,1259 3.319,1260 4.594,1261 0.68,1262 11.934,1263 3.265,1264 2.098,1265 2.073,1266 2.188,1267 2.182,1268 1.536,1269 2.186,1270 2.072,1271 2.046,1272 2.159,1273 2.163,1274 1.437,1275 2.163,1276 1.881,1277 1.851,1278 2.033,1279 1.974,1280 1.386,1281 1.995,1282 1.778,1283 1.716,1284 1.993,1285 1.937,1286 1.199,1287 1.967,1288 1.754,1289 1.708,1290 1.949,1291 1.872,1292 1.158,1293 1.902,1294 1.567,1295 1.497,1296 1.829,1297 1.77,1298 1.115,1299 1.794,1300 1.463,1301 1.416,1302 1.691,1303 1.605,1304 0.918,1305 1.637,1306 1.324,1307 1.257,1308 1.58,1309 1.542,1310 0.823,1311 1.562,1312 4.575,1314 5.911,1316 7.459,1318 9.121,1320 10.849,1322 2.3,1323 6.381,1328 16.505,1329 7.74,1332 1.208,1340 52.449,1341 110.719,1342 282.682,1343 393.637,1344 472.534,1345 492.043,1346 496.043,1347 61.93,1348 9.637,1349 49.84,1350 49.84,1351 42,1352 13.213,1353 4.585,1354 3.7,1355 56.755,1356 267,1357 184,1358 0.101,1359 317.242,1360 548.71,1361 765.831,1362 329678,1363 1.2,1364 28.468,1365 0.678,1366 0.612,1367 28.968,1368 25.701,1369 20.636,1370 0.43,1371 0.348,1372 16.273,1373 20.069,1374 15.855,1375 13.091,1376 20.925,1377 16.692,1378 18.622,1379 0.274,1380 0.196,1381 19.03,1382 13.317,1383 15.971,1384 0.168,1385 0.105,1386 16.233,1387 9.966,1388 14.634,1389 0.107,1390 0.059,1391 14.868,1392 8.024,1393 12.747,1394 0.067,1395 0.032,1396 12.978,1397 6.17,1398 0.167,1399 128.717,1400 0.173,1401 38.077,1402 0.257,1403 232,1404 460.159,1405 255.068,1406 495.594,1407 704.42,1408 470,1409 279,1410 522.877,1411 297.418,1412 546.601,1413 812.84,1414 521,1415 9.469}
{0 CHEMBL557181,1 1.363,2 13.185,3 4.267,4 18.211,5 106.932,6 6.769,7 0.4,8 4.07,9 4.182,10 3.568,11 3.622,12 5.035,13 3.582,14 4.664,15 4.838,16 3.893,17 4.027,18 5.568,19 3.959,20 4.963,21 5.185,22 3.923,23 4.178,24 5.84,25 4.062,26 4.99,27 5.249,28 3.731,29 4.124,30 5.784,31 3.963,32 4.922,33 5.199,34 3.679,35 4.038,36 5.726,37 3.876,38 4.808,39 5.058,40 3.622,41 3.96,42 5.694,43 3.813,44 4.737,45 4.98,46 3.486,47 3.886,48 5.592,49 3.729,50 4.658,51 4.924,52 3.358,53 3.781,54 5.389,55 3.608,56 0.03,57 0.719,58 12.306,59 5.573,60 5.406,61 7.346,62 0.186,63 1.229,64 23.69,65 9.253,66 17.454,67 12.498,68 0.4,69 1.558,70 32.975,71 12.53,72 39.865,73 17.243,74 0.291,75 1.573,76 34.053,77 13,78 38.487,79 18.328,80 0.356,81 1.457,82 31.979,83 12.118,84 40.204,85 17.36,86 0.358,87 1.296,88 28.475,89 10.84,90 41.846,91 15.122,92 0.323,93 1.194,94 26.523,95 10.176,96 38.965,97 14.008,98 0.197,99 1.109,100 24.367,101 9.49,102 25.043,103 13.371,104 2,105 40,106 0.227,107 0.523,108 0.724,109 0.809,110 0.823,111 0.83,112 3.339,113 0.997,114 -4.53,115 -4.46,116 -4.2,121 42.6,123 4,124 1,127 5,144 8,145 2,146 2,159 1,176 13,180 7,187 13,191 1,192 10,200 9,206 7,214 6,218 1,219 5,227 10,231 1,232 2,239 12,243 1,244 3,251 9,256 5,264 5,269 4,277 4,281 1130,282 18.723,283 18.723,284 18.723,285 18.723,286 18.723,287 17.156,288 21.862,289 11.351,290 19.068,291 14.848,292 14.848,293 14.848,294 14.848,295 14.848,296 12.444,297 25.437,298 5.456,299 15.388,300 4.392,301 2.62,302 1.412,303 0.903,304 0.815,305 0.778,306 4.044,311 1,312 1,313 787,314 3,318 351.269,322 134.967,325 2.118,326 21.721,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 57.5,338 356,339 4.334,340 3.609,341 6.25,342 3.951,343 2.976,344 3.975,345 1.277,346 9.417,347 2.926,348 3.942,349 3.219,350 5.899,351 3.694,352 2.73,353 3.457,354 0.916,355 8.157,356 2.636,357 3.898,358 3.017,359 5.616,360 3.58,361 2.598,362 3.239,363 0.86,364 7.783,365 2.526,366 3.595,367 2.557,368 5.329,369 3.442,370 2.446,371 2.634,372 0.86,373 6.937,374 2.429,375 3.178,376 2.228,377 4.955,378 3.026,379 2.072,380 2.25,381 0.172,382 5.867,383 1.967,384 2.924,385 2.196,386 4.448,387 2.537,388 1.618,389 2.063,391 4.433,392 1.51,393 2.885,394 2.052,395 4.167,396 2.52,397 1.554,398 1.974,400 3.791,401 1.465,402 2.805,403 1.684,404 3.608,405 2.411,406 1.42,407 1.863,409 3.042,410 1.404,411 2.5,412 1.52,413 3.591,414 2.259,415 1.298,416 1.5,418 2.934,419 1.23,420 2.451,421 1.09,422 3.414,423 2,424 1,425 1.444,427 2.275,428 1,429 2,430 1.077,431 3.247,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.884,439 1,440 3.188,441 1.648,442 0.701,443 0.805,445 1.618,446 0.652,447 1.743,448 0.993,449 3.07,450 1.496,451 0.523,452 0.599,454 1.225,455 0.507,456 1.216,457 0.374,458 2.766,459 1.03,460 0.046,461 0.051,463 0.114,464 0.045,465 0.868,466 0.065,467 2.393,468 0.51,469 -0.448,470 -0.517,472 -1.08,473 -0.419,474 12.9,475 0.478,476 0.482,477 0.018,478 31.5,479 1.167,480 14.5,481 0.537,482 17,483 0.63,484 24.03,485 0.89,486 29.7,487 0.55,488 20.574,489 0.762,490 5.945,491 0.22,492 7.331,493 0.272,494 0.026,496 0.264,501 0.752,502 1.286,503 0.851,504 1.166,505 0.562,506 1.042,507 1.152,508 1.114,509 1.041,510 1.065,511 0.704,512 1.032,513 1.034,514 1.062,515 1.056,516 1.05,517 0.921,518 1.053,519 0.869,520 1.062,521 1.026,522 1.057,523 1.108,524 1.061,525 0.612,526 0.913,527 0.854,528 0.918,529 0.903,530 0.914,531 0.875,532 0.974,533 1.001,534 1.002,535 1.389,536 1.014,537 1.085,538 1.01,539 1.125,540 1.047,541 1.66,542 1.091,543 0.787,544 1.055,545 0.985,546 1.057,547 0.862,548 1.052,549 4.5,550 0.099,551 2.444,552 0.875,553 1.249,554 0.618,555 0.343,556 0.266,557 0.176,558 0.102,559 10960,560 24289,561 2.165,562 50,563 3,564 18,568 2,569 4,572 1.692,573 2.104,574 3.68,575 -0.843,577 1,582 73.585,583 1.363,584 3.135,585 4.343,586 4.852,587 4.94,588 4.977,589 3.134,590 4.385,591 4.727,592 3.848,593 1350.54,594 8.158,595 18485.1,597 1,599 1,600 310.764,601 1.038,602 4.719,603 0.15,604 0.005,605 0.061,606 0.022,607 0.04,608 0.021,609 0.012,610 0.011,611 0.008,612 0.005,613 0.336,614 0.33,615 1,616 0.352,617 137.806,618 0.017,619 -0.123,620 0.075,621 -0.054,622 0.023,623 0.006,624 -0.103,625 -0.008,626 -0.064,627 -0.044,628 -0.009,629 -0.044,630 0.009,631 -0.05,632 -0.072,633 -0.06,634 0.032,635 -0.073,636 -0.042,637 -0.089,638 -0.06,639 -0.082,640 -0.042,641 -0.075,642 0.124,643 0.047,644 0.108,645 0.048,646 0.085,647 0.074,648 0.061,649 -0.004,650 -0.024,651 -0.023,652 -0.018,653 -0.032,654 -0.063,655 -0.051,656 -0.143,657 -0.063,658 -0.183,659 -0.11,660 -0.014,661 -0.108,662 -0.026,663 -0.076,664 -0.068,665 -0.058,666 1.46,667 5.572,668 0.815,669 28.936,670 0.992,671 1.121,672 3.305,673 10.923,674 0.653,675 3.434,676 3.714,677 3.951,678 4.159,679 4.407,680 4.357,681 4.443,682 4.522,683 4.585,684 4.533,685 7.646,686 0.611,687 365.51,688 3.434,689 4.949,690 5.778,691 6.624,692 7.466,693 8.315,694 9.161,695 10.012,696 10.861,697 11.713,698 1.9,701 1,715 8,720 4,722 12,727 1,739 2,741 54,743 13,744 2,745 30,747 57,748 23,749 12,750 4,751 8,752 1,756 4,757 5,767 2,768 1,770 4,772 13,773 10,774 1,777 1,782 1,786 1,790 1,793 27,794 4,796 4,802 1,808 0.75,809 3,829 4,833 1,855 1,859 3,868 27,876 9,878 2,880 1,881 1,893 5.6,896 1,898 2,901 12.833,902 9.45,903 5.972,904 3.522,907 2.006,908 1.268,909 0.977,910 5.981,911 9.488,912 3.638,913 4.127,914 4.605,915 5.056,916 5.545,917 5.549,918 5.738,919 5.793,920 5.907,921 5.842,922 0.889,923 39,924 10.064,926 4.266,927 0.026,929 7.543,931 19.898,933 16.765,936 2.043,937 55.167,939 1,940 1,941 317.82,942 123.441,943 3.124,945 47.145,948 123.441,949 364.964,950 3.124,952 25.64,953 75.81,954 30.278,955 41.982,957 317.82,959 317.82,960 126.566,961 47.145,964 270.735,965 94.229,968 28.764,969 97.801,972 317.82,973 50.269,974 123.441,977 317.82,978 47.631,979 78.934,981 47.145,982 317.82,983 50.269,984 123.441,986 0.571,987 0.327,988 0.172,989 0.098,990 19,991 7,992 0.105,993 6,994 1,995 1.091,996 4.155,997 218.971,998 0.091,999 22,1000 120.382,1005 18.367,1006 8.792,1007 4.838,1009 50.269,1010 16.198,1015 3.551,1018 491.53,1019 37,1024 12.572,1028 0.207,1031 53.571,1032 60.524,1034 0.237,1035 0.545,1036 0.755,1037 0.843,1038 0.858,1039 0.865,1040 4.86,1041 1.42,1042 5.72,1043 3.791,1044 4.394,1045 4.812,1046 2.166,1047 6.45,1048 4.334,1049 5.998,1050 1.298,1051 7.223,1052 3.042,1053 3.761,1054 4.369,1055 0.325,1056 7.154,1057 3.693,1058 7.258,1059 1,1060 8.822,1061 2.934,1062 5.911,1063 6.831,1064 2.248,1065 10.213,1066 5.801,1067 8.547,1068 1,1069 10.48,1070 2.275,1071 6.111,1072 7.231,1073 0.393,1074 11.75,1075 5.999,1076 9.871,1077 0.701,1078 12.174,1079 2.136,1080 7.679,1081 9.157,1082 2.486,1083 14.28,1084 7.529,1085 11.218,1086 0.523,1087 13.894,1088 1.618,1089 8.288,1090 9.968,1091 0.384,1092 16.172,1093 8.132,1094 12.583,1095 0.046,1096 15.632,1097 1.225,1098 9.587,1099 11.645,1100 2.829,1101 18.506,1102 9.4,1103 2.976,1104 -0.448,1105 17.384,1106 0.114,1107 10.41,1108 12.681,1109 0.351,1110 20.564,1111 10.212,1112 2.73,1113 9.417,1114 19.146,1115 -1.08,1116 11.579,1117 14.226,1118 3.238,1119 22.822,1120 11.356,1121 2.598,1122 8.157,1123 20.915,1124 3.975,1125 12.515,1126 15.393,1127 0.312,1128 24.962,1129 12.277,1130 2.446,1131 7.783,1132 22.692,1133 3.457,1134 13.623,1135 16.862,1136 3.684,1137 27.193,1138 13.364,1139 2.072,1140 6.937,1141 24.473,1142 3.239,1143 14.619,1144 18.109,1145 0.273,1146 29.375,1147 14.345,1148 1.618,1149 5.867,1150 26.259,1151 2.634,1152 15.701,1153 19.536,1154 4.15,1155 31.599,1156 15.408,1157 1.554,1158 4.433,1159 28.05,1160 2.25,1161 16.731,1162 20.832,1163 0.236,1164 33.804,1165 16.421,1166 10131,1167 15232,1168 20.86,1169 35.267,1170 44.212,1171 45.396,1172 44.428,1173 44.002,1174 43.966,1175 53.706,1176 8.173,1177 119.46,1178 42.56,1179 5.334,1180 5.609,1181 6.052,1182 5.092,1183 4.976,1184 6.975,1185 2.555,1186 15.798,1187 4.926,1188 6.519,1189 1.474,1190 1.513,1191 1.481,1192 1.467,1193 1.466,1194 1.79,1195 0.272,1196 3.982,1197 1.419,1198 4.002,1199 4.034,1200 3.94,1201 3.904,1202 7.427,1203 3.907,1204 3.93,1205 3.956,1206 3.857,1207 3.849,1208 4.939,1209 3.847,1210 3.821,1211 3.866,1212 3.708,1213 3.716,1214 4.755,1215 3.707,1216 3.572,1217 3.609,1218 3.472,1219 3.377,1220 4.325,1221 3.392,1222 3.392,1223 3.457,1224 3.238,1225 3.214,1226 4.285,1227 3.211,1228 3.189,1229 3.25,1230 3.053,1231 3.031,1232 4.208,1233 3.026,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.893,1239 2.91,1240 2.944,1241 2.996,1242 2.801,1243 2.785,1244 3.674,1245 2.78,1246 0.144,1247 0.12,1248 0.208,1249 0.132,1250 0.099,1251 4.334,1252 0.132,1253 3.609,1254 0.043,1255 6.25,1256 0.314,1257 3.951,1258 0.098,1259 2.976,1260 3.975,1261 1.277,1262 9.417,1263 2.926,1264 1.943,1265 1.916,1266 2.105,1267 2.075,1268 1.484,1269 2.087,1270 1.914,1271 1.89,1272 2.026,1273 2.029,1274 1.179,1275 2.022,1276 1.827,1277 1.782,1278 1.983,1279 1.947,1280 1.125,1281 1.967,1282 1.516,1283 1.473,1284 1.749,1285 1.74,1286 1.005,1287 1.742,1288 1.381,1289 1.318,1290 1.653,1291 1.587,1292 0.901,1293 1.613,1294 1.18,1295 1.119,1296 1.513,1297 1.383,1298 0.825,1299 1.429,1300 1.153,1301 1.064,1302 1.452,1303 1.376,1304 0.68,1305 1.408,1306 0.927,1307 0.876,1308 1.196,1309 1.142,1310 0.416,1311 1.158,1312 4.111,1314 5.398,1316 6.887,1318 8.459,1320 10.072,1328 8.354,1330 11.112,1332 0.651,1333 2.522,1340 33.014,1341 73.585,1342 169.298,1343 234.499,1344 262.009,1345 266.764,1346 268.764,1347 42.976,1348 7.482,1349 38.77,1350 38.77,1351 24,1352 12.27,1353 3.807,1354 3,1355 40.629,1356 126,1357 113,1358 0.155,1359 200.112,1360 354.11,1361 480.033,1362 20700,1364 18.476,1365 0.684,1366 0.583,1367 18.476,1368 15.732,1369 13.276,1370 0.443,1371 0.332,1372 9.856,1373 12.843,1374 9.667,1375 7.942,1376 13.276,1377 9.969,1378 11.559,1379 0.289,1380 0.188,1381 11.559,1382 7.525,1383 9.773,1384 0.192,1385 0.11,1386 9.773,1387 5.6,1388 7.811,1389 0.124,1390 0.063,1391 7.811,1392 3.971,1393 6.629,1394 0.082,1395 0.037,1396 6.629,1397 2.969,1398 0.253,1399 82.662,1400 0.219,1401 26.766,1402 0.396,1403 140,1404 368.852,1405 151.271,1406 348.277,1407 475.92,1408 330,1409 161,1410 341.658,1411 173.187,1412 343.555,1413 502.07,1414 325,1415 7.523}
{0 CHEMBL557400,1 1.471,2 11.931,3 2.87,4 8.237,5 109.467,6 6.82,7 0.375,8 4.147,9 4.275,10 3.646,11 3.652,12 5.165,13 3.62,14 4.744,15 4.934,16 4.096,17 4.111,18 5.76,19 4.068,20 5.051,21 5.238,22 4.188,23 4.333,24 6.056,25 4.254,26 5.223,27 5.474,28 4.11,29 4.361,30 6.174,31 4.242,32 5.169,33 5.419,34 3.877,35 4.206,36 6.166,37 4.056,38 4.989,39 5.291,40 3.671,41 3.9,42 5.868,43 3.766,44 4.508,45 4.716,46 3.622,47 3.662,48 5.625,49 3.604,50 4.53,51 4.738,52 3.587,53 3.641,54 5.696,55 3.591,56 0.078,57 0.843,58 13.396,59 5.434,60 9.137,61 7.593,62 0.403,63 1.41,64 25.861,65 9.253,66 37.803,67 13.256,68 0.35,69 1.819,70 35.371,71 12.756,72 53.098,73 17.961,74 0.389,75 2.007,76 43.129,77 14.59,78 59.015,79 21.451,80 0.462,81 1.743,82 41.541,83 14.294,84 82.747,85 20.336,86 0.534,87 1.341,88 36.075,89 11.113,90 64.959,91 16.312,92 0.414,93 0.97,94 21.374,95 6.732,96 43.802,97 9.506,98 0.403,99 0.956,100 22.164,101 6.634,102 51.136,103 9.178,104 51,105 50,106 0.242,107 0.565,108 0.763,109 0.831,110 0.838,111 0.838,112 3.408,113 0.963,114 -1.73,115 -1.79,116 -1.81,121 39.7,122 3,123 1,124 1,125 1,126 2,127 1,130 1,144 7,145 2,146 3,161 1,176 12,178 1,179 1,180 5,182 1,183 2,185 2,187 15,189 2,192 6,193 1,197 2,200 13,201 2,203 2,206 7,211 3,214 7,215 2,216 2,218 1,219 8,224 3,227 2,228 2,229 1,232 3,234 1,237 3,239 4,240 1,243 1,244 4,245 1,247 1,249 2,251 8,256 4,258 1,263 1,264 8,269 2,270 1,275 1,277 10,281 1291,282 18.659,283 18.659,284 18.659,285 18.659,286 18.659,287 17.144,288 30.135,289 10.355,290 19.022,291 15.729,292 15.729,293 15.729,294 15.729,295 15.729,296 13.318,297 40.663,298 4.876,299 16.331,300 4.387,301 2.419,302 1.215,303 0.802,304 0.755,305 0.755,306 4.093,311 1,312 1,313 751,314 4.183,317 118.92,318 163.972,320 96.088,321 102.228,324 142.946,325 1.805,326 28.257,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 62.5,338 346,339 4.909,340 4.105,341 8.167,342 4.808,343 3.842,344 4.228,345 2.186,346 15.951,347 3.722,348 4.193,349 3.677,350 7.028,351 3.989,352 3.039,353 3.692,354 1.181,355 11.413,356 2.876,357 4.121,358 3.347,359 6.179,360 3.79,361 2.801,362 3.469,363 0.792,364 8.754,365 2.777,366 3.852,367 2.992,368 5.932,369 3.577,370 2.625,371 3.078,372 0.366,373 8.25,374 2.49,375 3.685,376 2.748,377 5.645,378 3.456,379 2.495,380 2.904,382 7.601,383 2.39,384 3.557,385 2.62,386 5.487,387 3.267,388 2.317,389 2.736,391 6.958,392 2.185,393 3.288,394 2.427,395 5.246,396 2.893,397 1.915,398 2.461,400 5.908,401 1.853,402 2.819,403 1.884,404 4.625,405 2.551,406 1.588,407 1.871,409 4.813,410 1.52,411 2.52,412 1.314,413 4.342,414 2.224,415 1.229,416 1.525,418 3.089,419 1.22,420 2.5,421 1.186,422 3.785,423 2.135,424 1.142,425 1.5,427 2.909,428 1.133,429 2.451,430 1,431 3.765,432 2,433 1,434 1.439,436 2.275,437 1,438 1.817,439 0.938,440 3.414,441 1.736,442 0.764,443 0.797,445 1.927,446 0.74,447 1.291,448 0.754,449 3.157,450 1.023,451 0.101,452 0.115,454 0.279,455 0.092,456 1.219,457 0.401,458 3,459 0.844,460 -0.133,461 -0.147,463 -0.357,464 -0.128,465 0.858,466 0.087,467 2.991,468 0.72,469 -0.24,470 -0.286,472 -0.611,473 -0.23,474 13.7,475 0.472,476 1.143,477 0.039,478 34,479 1.172,480 15,481 0.517,482 19,483 0.655,484 29.383,485 1.013,486 32.5,487 0.56,488 26.703,489 0.921,490 6.294,491 0.217,492 7.321,493 0.252,494 0.231,495 0.066,496 0.321,501 0.657,502 1.436,503 0.848,504 1.192,505 0.592,506 1.066,507 0.701,508 0.926,509 0.766,510 0.837,511 0.513,512 0.8,513 1.159,514 1.297,515 1.123,516 1.195,517 1.173,518 1.163,519 0.957,520 1.033,521 1.028,522 1.058,523 0.755,524 1.04,525 1.176,526 1.14,527 1.128,528 1.2,529 1.329,530 1.173,531 1.247,532 0.687,533 0.762,534 0.657,535 1.071,536 0.649,537 1.361,538 1.007,539 1.037,540 0.979,541 1.173,542 0.961,543 1.907,544 0.895,545 1.157,546 0.885,547 2.073,548 0.91,549 9,550 0.192,551 4.889,552 4.396,553 1.953,554 1.111,555 0.709,556 0.418,557 0.373,558 0.282,559 10969,560 24223,561 2.013,562 50,563 10,564 15,565 1,567 1,569 2,572 1.715,573 1.813,574 3.481,575 -0.371,576 1,577 1,582 85.33,583 1.471,584 3.439,585 4.643,586 5.056,587 5.103,588 5.103,589 2.957,590 4.444,591 4.829,592 3.704,593 1503.81,594 8.385,595 20367.4,597 1,599 1,600 339.763,601 1.815,602 4.738,603 0.281,604 0.008,605 0.098,606 0.085,607 0.042,608 0.034,609 0.024,610 0.015,611 0.014,612 0.011,613 0.612,614 0.5,615 1,616 0.83,617 147.939,618 0.094,619 -0.172,620 0.076,621 -0.059,622 -0.059,623 -0.009,624 0.22,625 0.241,626 0.202,627 0.199,628 0.172,629 0.202,630 -0.099,631 -0.197,632 -0.148,633 -0.152,634 -0.113,635 -0.161,636 -0.068,637 -0.013,638 -0.055,639 -0.082,640 0.05,641 -0.061,642 -0.051,643 -0.216,644 -0.133,645 -0.219,646 -0.09,647 -0.195,648 -0.002,649 0.142,650 0.273,651 0.252,652 -0.017,653 0.294,654 0.104,655 0.032,656 0.004,657 -0.016,658 0.014,659 -0.02,660 -0.172,661 0.12,662 -0.082,663 0.054,664 -0.189,665 0.006,666 2.189,667 5.932,668 0.621,669 27.26,670 0.996,671 1.13,672 0.497,673 0.247,674 0.643,675 3.497,676 3.932,677 4.234,678 4.575,679 4.779,680 4.875,681 5.056,682 5.118,683 5.094,684 5.17,685 7.032,686 0.604,687 395.55,688 3.497,689 5.106,690 5.994,691 6.938,692 7.851,693 8.803,694 9.732,695 10.69,696 11.63,697 12.592,698 5.2,704 1,705 1,712 1,715 7,720 5,722 12,736 1,737 1,741 58,743 13,744 2,745 32,747 61,748 23,749 12,750 5,751 7,756 4,757 7,763 3,764 1,766 1,767 1,770 1,772 13,773 10,774 1,777 1,782 1,786 1,790 1,793 29,794 5,795 1,796 6,802 3,803 1,807 1,808 0.5,809 3,825 1,828 2,829 2,831 1,832 1,835 1,859 2,864 5,868 29,876 2,877 1,878 1,880 2,881 1,882 1,883 1,893 5.2,896 1,898 1,900 1,901 16,902 11.926,903 6.028,904 3.644,907 2.188,908 1.277,909 0.93,910 4.79,911 10.093,912 3.689,913 4.29,914 4.8,915 5.351,916 5.842,917 6.045,918 6.383,919 6.615,920 6.713,921 6.938,922 0.875,923 52,924 10.82,926 4.751,927 0.026,929 7.721,931 20.839,933 17.895,936 2.221,937 64.417,940 1,941 329.591,942 138.133,943 21.135,945 62.981,948 138.133,949 392.572,950 21.135,951 43.268,952 49.487,953 66.334,954 25.145,955 31.252,956 18.534,957 317.82,959 329.591,960 159.268,961 62.981,964 332.885,965 59.687,968 49.127,969 110.141,972 329.591,973 84.116,974 138.133,977 329.591,978 28.531,979 112.726,980 18.011,981 62.981,982 329.591,983 84.116,984 138.133,986 0.614,987 0.359,988 0.193,989 0.102,990 27,991 13,992 0.066,993 4,994 2,995 1.222,996 3.913,997 265.574,998 0.222,999 18,1000 134.881,1005 20.056,1006 6.927,1007 3.365,1009 84.116,1010 13.417,1015 4.517,1017 18.011,1018 551.84,1019 39,1024 12.379,1028 -0.522,1031 57.774,1032 65.521,1034 0.251,1035 0.587,1036 0.793,1037 0.863,1038 0.871,1039 0.871,1040 5.017,1041 1.588,1042 6.084,1043 5.908,1044 4.615,1045 4.977,1046 2.525,1047 7.059,1048 4.543,1049 6.268,1050 1.229,1051 7.76,1052 4.813,1053 4.635,1054 4.987,1055 2.026,1056 8.549,1057 4.521,1058 7.63,1059 1.142,1060 9.555,1061 3.089,1062 6.438,1063 7.122,1064 3.568,1065 11.687,1066 6.292,1067 9.025,1068 1,1069 11.424,1070 2.909,1071 7.231,1072 7.837,1073 3.654,1074 14.021,1075 7.049,1076 10.453,1077 0.764,1078 13.345,1079 2.275,1080 8.647,1081 9.562,1082 4.928,1083 16.854,1084 8.437,1085 11.905,1086 0.101,1087 15.303,1088 1.927,1089 9.757,1090 10.598,1091 5.305,1092 19.48,1093 9.514,1094 13.379,1095 -0.133,1096 17.291,1097 0.279,1098 11.08,1099 12.161,1100 6.394,1101 22.254,1102 10.808,1103 3.842,1104 -0.24,1105 19.301,1106 -0.357,1107 12.321,1108 13.366,1109 6.935,1110 24.974,1111 12.018,1112 3.039,1113 15.951,1114 21.328,1115 -0.611,1116 13.633,1117 14.856,1118 7.904,1119 27.738,1120 13.302,1121 2.801,1122 11.413,1123 23.37,1124 4.228,1125 14.929,1126 16.156,1127 8.54,1128 30.489,1129 14.567,1130 2.625,1131 8.754,1132 25.424,1133 3.692,1134 16.25,1135 17.611,1136 9.436,1137 33.254,1138 15.858,1139 2.495,1140 8.25,1141 27.486,1142 3.469,1143 17.57,1144 18.966,1145 10.13,1146 36.016,1147 17.148,1148 2.317,1149 7.601,1150 29.555,1151 3.078,1152 18.9,1153 20.406,1154 10.982,1155 38.783,1156 18.448,1157 1.915,1158 6.958,1159 31.63,1160 2.904,1161 20.233,1162 21.794,1163 11.71,1164 41.549,1165 19.749,1166 10544,1167 15818,1168 20.285,1169 37.279,1170 50.319,1171 50.931,1172 52.296,1173 49.71,1174 49.716,1175 59.63,1176 9.05,1177 160.252,1178 47.998,1179 5.873,1180 6.105,1181 7.581,1182 5.9,1183 5.842,1184 7.228,1185 3.889,1186 24.922,1187 5.722,1188 18.617,1189 1.572,1190 1.592,1191 1.634,1192 1.553,1193 1.554,1194 1.863,1195 0.283,1196 5.008,1197 1.5,1198 4.119,1199 4.16,1200 4.065,1201 4.008,1202 7.435,1203 4.016,1204 3.949,1205 3.983,1206 3.883,1207 3.881,1208 7.236,1209 3.877,1210 3.75,1211 3.79,1212 3.676,1213 3.592,1214 4.837,1215 3.603,1216 3.546,1217 3.609,1218 3.433,1219 3.389,1220 4.739,1221 3.38,1222 3.368,1223 3.422,1224 3.252,1225 3.108,1226 4.391,1227 3.137,1228 3.299,1229 3.389,1230 3.118,1231 3.083,1232 4.165,1233 3.081,1234 3.227,1235 3.285,1236 3.08,1237 2.958,1238 4.059,1239 2.99,1240 2.98,1241 3.095,1242 2.694,1243 2.768,1244 3.897,1245 2.734,1246 0.153,1247 0.128,1248 0.255,1249 0.15,1250 0.12,1251 4.909,1252 0.132,1253 4.105,1254 0.068,1255 8.167,1256 0.498,1257 4.808,1258 0.116,1259 3.842,1260 4.228,1261 2.186,1262 15.951,1263 3.722,1264 1.94,1265 1.911,1266 2.069,1267 2.037,1268 1.31,1269 2.046,1270 1.901,1271 1.881,1272 2.004,1273 1.994,1274 1.252,1275 1.995,1276 1.661,1277 1.598,1278 1.854,1279 1.93,1280 1.154,1281 1.91,1282 1.59,1283 1.523,1284 1.822,1285 1.777,1286 1.025,1287 1.797,1288 1.54,1289 1.475,1290 1.796,1291 1.732,1292 0.909,1293 1.754,1294 1.251,1295 1.187,1296 1.582,1297 1.539,1298 0.648,1299 1.544,1300 1.112,1301 1.058,1302 1.454,1303 1.422,1304 0.57,1305 1.396,1306 1.017,1307 0.903,1308 1.417,1309 1.292,1310 0.469,1311 1.354,1312 4.174,1314 5.58,1315 3.045,1316 7.171,1317 5.687,1318 8.853,1319 8.009,1320 10.592,1322 10.12,1328 1.399,1329 2.777,1330 5.55,1332 0.289,1333 2.079,1334 -0.247,1335 -0.273,1340 35.057,1341 85.33,1342 199.466,1343 269.317,1344 293.234,1345 295.988,1346 295.988,1347 61.146,1348 7.906,1349 58.64,1350 58.64,1351 22,1352 13.078,1353 3.807,1354 3,1355 45.071,1356 123,1357 129,1358 0.181,1359 213.701,1360 376.11,1361 513.189,1362 29894,1364 20.974,1365 0.723,1366 0.612,1367 20.974,1368 17.752,1369 13.615,1370 0.425,1371 0.321,1372 10.121,1373 13.073,1374 9.695,1375 8.085,1376 13.615,1377 10.268,1378 13.882,1379 0.278,1380 0.184,1381 13.882,1382 9.179,1383 11.227,1384 0.165,1385 0.098,1386 11.227,1387 6.692,1388 9.978,1389 0.104,1390 0.055,1391 9.978,1392 5.239,1393 7.662,1394 0.065,1395 0.029,1396 7.662,1397 3.449,1398 0.288,1399 85.434,1400 0.222,1401 27.582,1402 0.485,1403 164,1404 431.755,1405 180.487,1406 412.233,1407 563.29,1408 384,1409 200,1410 421.183,1411 217.576,1412 423.813,1413 626.4,1414 397,1415 5}
{0 CHEMBL557405,1 1.435,2 19.763,3 6.901,4 47.624,5 148.53,6 6.982,7 0.439,8 4.375,9 4.488,10 3.882,11 3.898,12 5.43,13 3.87,14 4.93,15 5.106,16 4.201,17 4.269,18 5.968,19 4.214,20 5.19,21 5.401,22 4.263,23 4.402,24 6.158,25 4.321,26 5.251,27 5.486,28 4.199,29 4.37,30 6.253,31 4.272,32 5.175,33 5.41,34 4.067,35 4.345,36 6.095,37 4.222,38 5.18,39 5.436,40 3.979,41 4.316,42 6.026,43 4.165,44 5.158,45 5.423,46 3.843,47 4.236,48 5.95,49 4.074,50 5.06,51 5.323,52 3.775,53 4.148,54 5.849,55 3.99,56 0.019,57 0.99,58 16.223,59 7.303,60 8.927,61 9.498,62 0.404,63 1.595,64 30.656,65 11.811,66 40.171,67 15.918,68 0.341,69 1.919,70 41.118,71 15.608,72 49.482,73 20.959,74 0.706,75 1.972,76 45.224,77 15.847,78 85.175,79 21.748,80 0.478,81 1.892,82 41.107,83 15.149,84 62.124,85 20.962,86 0.423,87 1.891,88 41.342,89 15.611,90 58.793,91 22.127,92 0.534,93 1.802,94 41.332,95 14.87,96 58.239,97 20.951,98 0.369,99 1.641,100 37.166,101 13.534,102 47.906,103 19.15,104 20,105 54,106 0.222,107 0.506,108 0.698,109 0.838,110 0.895,111 0.904,112 3.667,113 0.972,114 -4.72,115 -4.64,116 -4.36,121 41.9,123 6,126 2,127 3,144 11,145 3,146 4,159 1,161 1,176 15,179 1,180 13,183 2,187 16,192 12,200 10,205 2,206 13,211 2,214 11,218 1,219 6,224 2,227 13,231 1,232 6,237 1,239 12,243 1,244 6,247 1,251 10,256 4,264 11,268 1,269 4,274 1,277 13,281 3092,282 25.99,283 25.99,284 25.99,285 25.99,286 25.99,287 23.608,288 28.551,289 15.937,290 26.512,291 20.243,292 20.243,293 20.243,294 20.243,295 20.243,296 16.499,297 35.777,298 7.62,299 21.02,300 4.774,301 2.941,302 1.704,303 0.798,304 0.426,305 0.372,306 4.365,312 1,313 1618,314 4.69,318 486.278,322 368.255,325 2.906,326 34.099,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 82,338 751,339 4.553,340 3.692,341 6.774,342 4.203,343 3.215,344 4.198,345 2.186,346 11.061,347 3.18,348 4.105,349 3.66,350 6.011,351 3.723,352 2.761,353 3.688,354 0.916,355 8.529,356 2.661,357 4.048,358 2.995,359 5.681,360 3.613,361 2.642,362 3.676,363 0.86,364 7.996,365 2.563,366 3.672,367 2.984,368 5.407,369 3.38,370 2.451,371 2.964,372 0.86,373 6.913,374 2.261,375 3.617,376 2.82,377 5.29,378 3.232,379 2.271,380 2.886,381 0.366,382 6.815,383 2.172,384 3.378,385 2.632,386 5.124,387 3.124,388 2.167,389 2.515,390 0.172,391 6.04,392 2.056,393 3.309,394 2.495,395 4.862,396 2.958,397 2.017,398 2.504,400 5.594,401 1.888,402 3.09,403 2.172,404 4.585,405 2.858,406 1.87,407 2.175,409 4.814,410 1.832,411 2.907,412 1.888,413 4.125,414 2.743,415 1.77,416 2.082,418 3.748,419 1.713,420 2.856,421 1.688,422 3.886,423 2.477,424 1.501,425 1.866,427 3.384,428 1.459,429 2.715,430 1.585,431 3.717,432 2.423,433 1.431,434 1.81,436 3.123,437 1.415,438 2.661,439 1.372,440 3.595,441 2.243,442 1.257,443 1.729,445 3.045,446 1.236,447 2.531,448 1.3,449 3.494,450 2.185,451 1.193,452 1.529,454 2.616,455 1.181,456 2.416,457 1.29,458 3.48,459 2.011,460 1.044,461 1.291,463 2.236,464 1.003,465 2.066,466 1.193,467 3.214,468 1.864,469 0.838,470 1.04,472 1.962,473 0.854,474 17.967,475 0.473,476 0.729,477 0.019,478 46.25,479 1.217,480 22.5,481 0.592,482 23.75,483 0.625,484 35.235,485 0.927,486 42.033,487 0.568,488 36.061,489 0.949,490 9.029,491 0.238,492 9.501,493 0.25,494 0.093,496 0.273,501 0.77,502 1.323,503 0.838,504 1.19,505 0.578,506 1.047,507 0.855,508 1.009,509 0.931,510 1.021,511 0.537,512 0.982,513 1.086,514 1.061,515 0.933,516 1.05,517 0.784,518 0.982,519 1.109,520 0.93,521 0.946,522 0.909,523 1.049,524 0.903,525 0.993,526 0.996,527 1.041,528 1.003,529 1.06,530 1.026,531 0.661,532 1.056,533 0.957,534 1.071,535 0.583,536 1.062,537 0.913,538 0.916,539 1.043,540 0.977,541 0.734,542 1.024,543 0.875,544 1.024,545 1.006,546 1.027,547 0.724,548 1.038,549 6.5,550 0.115,551 2.889,552 2.375,553 1.853,554 0.868,555 0.604,556 0.361,557 0.23,558 0.162,559 30779,560 79100,561 2.069,562 48.6,563 8,564 23,567 1,569 4,572 1.775,573 1.966,574 4.208,575 -0.427,582 106.193,583 1.435,584 3.268,585 4.505,586 5.412,587 5.784,588 5.838,589 3.629,590 4.932,591 5.225,592 4.439,593 3120.74,594 9.126,595 61789.2,600 459.5,601 1.267,602 5.192,603 0.159,604 0.004,605 0.053,606 0.042,607 0.036,608 0.019,609 0.015,610 0.011,611 0.007,612 0.005,613 0.353,614 0.17,615 0.75,616 0.894,617 222.698,618 -0.008,619 -0.134,620 0.058,621 -0.072,622 -0.009,623 -0.008,624 0.105,625 0.104,626 0.026,627 0.006,628 0.136,629 0.009,630 -0.048,631 -0.064,632 0.049,633 -0.037,634 0.047,635 0.013,636 0.035,637 0.036,638 0.065,639 0.064,640 0.079,641 0.069,642 -0.066,643 -0.002,644 -0.064,645 -0.012,646 -0.066,647 -0.035,648 0.064,649 -0.085,650 -0.001,651 -0.076,652 0.054,653 -0.052,654 -0.033,655 0.037,656 -0.059,657 -0.008,658 -0.047,659 -0.035,660 -0.047,661 -0.073,662 -0.031,663 -0.05,664 -0.023,665 -0.041,666 2.126,667 5.66,668 0.526,669 53.967,670 0.998,671 1.123,672 3.492,673 12.192,674 0.652,675 3.738,676 4.007,677 4.234,678 4.477,679 4.7,680 4.771,681 4.86,682 4.97,683 4.997,684 4.898,685 11.545,686 0.616,687 516.69,688 3.738,689 5.252,690 6.075,691 6.929,692 7.772,693 8.637,694 9.493,695 10.367,696 11.231,697 12.111,698 2.7,701 1,705 1,715 11,720 7,722 18,727 1,737 1,739 2,741 74,743 20,744 3,745 41,747 77,748 31,749 18,750 7,751 11,752 1,756 4,757 7,770 6,772 20,773 11,777 2,782 2,786 2,793 36,794 7,795 1,796 7,802 2,808 0.5,809 5,829 4,833 2,855 1,859 2,864 2,868 38,876 9,877 1,878 3,881 1,893 6.8,896 2,898 3,901 19.333,902 13.7,903 8.611,904 4.713,907 3.401,908 1.413,909 0.959,910 10.334,911 11.633,912 3.97,913 4.483,914 4.992,915 5.531,916 6.051,917 6.262,918 6.586,919 6.936,920 7.196,921 7.354,922 0.923,923 56,924 14.095,926 5.838,927 0.026,929 7.697,931 27.211,933 21.86,936 2.197,937 83.5,941 411.989,942 187.469,943 21.135,945 83.29,948 187.469,949 495.278,950 21.135,951 16.793,952 42.022,953 104.239,954 55.423,955 66.654,956 6.763,957 411.989,959 411.989,960 208.604,961 83.29,964 364.904,965 130.374,968 45.146,969 163.458,972 411.989,973 104.425,974 187.469,977 411.989,978 66.437,979 124.156,980 18.011,981 83.29,982 411.989,983 104.425,984 187.469,986 0.563,987 0.319,988 0.171,989 0.094,990 22,991 10,992 0.182,993 14,994 2,995 1.2,996 5.155,997 329.452,998 0.2,999 20,1000 199.421,1005 27.842,1006 14.104,1007 8.157,1009 104.425,1010 20.393,1015 4.724,1017 18.011,1018 703.882,1019 52,1024 24.051,1028 -0.472,1031 73.861,1032 83.102,1034 0.231,1035 0.526,1036 0.726,1037 0.872,1038 0.931,1039 0.94,1040 5.185,1041 1.87,1042 6.023,1043 5.594,1044 4.691,1045 5.17,1046 2.639,1047 6.774,1048 4.621,1049 6.345,1050 1.77,1051 7.538,1052 4.814,1053 4.111,1054 4.832,1055 1.847,1056 7.551,1057 4.007,1058 7.619,1059 1.501,1060 9.156,1061 3.748,1062 6.217,1063 7.257,1064 3.582,1065 10.671,1066 6.084,1067 8.928,1068 1.431,1069 10.837,1070 3.384,1071 6.479,1072 7.753,1073 3.603,1074 12.333,1075 6.327,1076 10.273,1077 1.257,1078 12.562,1079 3.123,1080 8.017,1081 9.65,1082 4.922,1083 14.975,1084 7.844,1085 11.643,1086 1.193,1087 14.319,1088 3.045,1089 8.71,1090 10.56,1091 5.291,1092 17.035,1093 8.533,1094 13.034,1095 1.044,1096 16.1,1097 2.616,1098 10.004,1099 12.219,1100 6.39,1101 19.516,1102 9.813,1103 3.215,1104 0.838,1105 17.902,1106 2.236,1107 10.925,1108 13.35,1109 6.93,1110 21.76,1111 10.733,1112 2.761,1113 11.061,1114 19.719,1115 1.962,1116 12.118,1117 14.889,1118 7.902,1119 24.185,1120 11.917,1121 2.642,1122 8.529,1123 21.55,1124 4.198,1125 13.154,1126 16.144,1127 8.539,1128 26.514,1129 12.954,1130 2.451,1131 7.996,1132 23.393,1133 3.688,1134 14.311,1135 17.622,1136 9.436,1137 28.922,1138 14.105,1139 2.271,1140 6.913,1141 25.246,1142 3.676,1143 15.406,1144 18.946,1145 10.13,1146 31.289,1147 15.199,1148 2.167,1149 6.815,1150 27.107,1151 2.964,1152 16.554,1153 20.392,1154 10.981,1155 33.692,1156 16.341,1157 2.017,1158 6.04,1159 28.975,1160 2.886,1161 17.679,1162 21.757,1163 11.71,1164 36.077,1165 17.463,1166 29123,1167 46935,1168 27.622,1169 48.228,1170 59.166,1171 61.712,1172 60.914,1173 58.72,1174 58.678,1175 73.827,1176 10.723,1177 159.159,1178 56.642,1179 5.521,1180 5.692,1181 6.684,1182 5.3,1183 5.215,1184 7.198,1185 3.889,1186 18.6,1187 5.18,1188 18.03,1189 1.443,1190 1.505,1191 1.486,1192 1.432,1193 1.431,1194 1.801,1195 0.262,1196 3.882,1197 1.382,1198 4.05,1199 4.059,1200 4.015,1201 3.966,1202 7.435,1203 3.975,1204 3.942,1205 3.972,1206 3.879,1207 3.858,1208 7.427,1209 3.858,1210 3.799,1211 3.848,1212 3.717,1213 3.714,1214 4.947,1215 3.71,1216 3.757,1217 3.793,1218 3.623,1219 3.655,1220 4.814,1221 3.638,1222 3.624,1223 3.692,1224 3.492,1225 3.453,1226 4.708,1227 3.446,1228 3.527,1229 3.589,1230 3.422,1231 3.245,1232 4.378,1233 3.27,1234 3.421,1235 3.497,1236 3.268,1237 3.196,1238 4.328,1239 3.215,1240 3.236,1241 3.275,1242 3.144,1243 3.07,1244 4.242,1245 3.085,1246 0.111,1247 0.09,1248 0.165,1249 0.103,1250 0.078,1251 4.553,1252 0.102,1253 3.692,1254 0.053,1255 6.774,1256 0.27,1257 4.203,1258 0.078,1259 3.215,1260 4.198,1261 2.186,1262 11.061,1263 3.18,1264 1.986,1265 1.979,1266 2.064,1267 2.084,1268 1.407,1269 2.074,1270 1.912,1271 1.885,1272 2.051,1273 2.028,1274 1.239,1275 2.035,1276 1.8,1277 1.759,1278 2.013,1279 1.951,1280 1.165,1281 1.977,1282 1.763,1283 1.721,1284 1.9,1285 1.869,1286 1.136,1287 1.88,1288 1.615,1289 1.547,1290 1.857,1291 1.806,1292 0.981,1293 1.824,1294 1.425,1295 1.356,1296 1.706,1297 1.732,1298 0.922,1299 1.72,1300 1.388,1301 1.31,1302 1.686,1303 1.638,1304 0.738,1305 1.663,1306 1.195,1307 1.15,1308 1.524,1309 1.429,1310 0.681,1311 1.46,1312 4.419,1314 5.7,1316 7.175,1318 8.752,1320 10.391,1322 3.661,1328 9.348,1329 2.458,1330 17.044,1333 2.293,1340 45.572,1341 106.193,1342 241.843,1343 333.407,1344 400.48,1345 427.99,1346 431.99,1347 79.253,1348 8.232,1349 81.01,1350 81.01,1351 24,1352 12.651,1353 4.392,1354 3.585,1355 68.678,1356 275,1357 232,1358 0.117,1359 279.928,1360 499.63,1361 674.784,1362 61807,1364 26.744,1365 0.704,1366 0.584,1367 26.744,1368 22.203,1369 18.529,1370 0.452,1371 0.324,1372 13.109,1373 17.825,1374 12.78,1375 10.686,1376 18.529,1377 13.288,1378 15.947,1379 0.295,1380 0.177,1381 15.947,1382 9.58,1383 12.943,1384 0.19,1385 0.096,1386 12.943,1387 6.518,1388 10.6,1389 0.122,1390 0.052,1391 10.6,1392 4.508,1393 8.435,1394 0.077,1395 0.028,1396 8.435,1397 3.058,1398 0.2,1399 116.126,1400 0.19,1401 36.324,1402 0.281,1403 190,1404 566.656,1405 209.743,1406 534.984,1407 726.51,1408 502,1409 217,1410 529.442,1411 236.112,1412 531.575,1413 775.75,1414 499,1415 8.167}
{0 CHEMBL557586,1 1.326,2 26.125,3 7.555,4 57.081,5 200.784,6 5.852,7 0.245,8 4.754,9 4.901,10 4.087,11 4.21,12 5.667,13 4.139,14 5.356,15 5.594,16 4.328,17 4.58,18 6.148,19 4.467,20 5.609,21 5.865,22 4.42,23 4.766,24 6.396,25 4.615,26 5.772,27 6.054,28 4.377,29 4.814,30 6.543,31 4.636,32 5.768,33 6.059,34 4.331,35 4.821,36 6.48,37 4.625,38 5.802,39 6.107,40 4.248,41 4.798,42 6.486,43 4.59,44 5.725,45 6.026,46 4.167,47 4.746,48 6.41,49 4.522,50 5.701,51 6.023,52 4.154,53 4.669,54 6.351,55 4.45,56 0.124,57 1.535,58 28.573,59 11.066,60 18.113,61 16.212,62 0.577,63 2.365,64 50.258,65 16.921,66 38.609,67 25.758,68 0.488,69 2.858,70 62.805,71 22.537,72 54.956,73 33.607,74 0.879,75 3.088,76 73.027,77 24.552,78 86.187,79 37.062,80 0.627,81 3.125,82 71.548,83 25.073,84 68.738,85 38.002,86 0.769,87 3.076,88 73.403,89 25.067,90 75.32,91 38.021,92 0.742,93 2.882,94 67.625,95 24.658,96 70.547,97 36.617,98 0.545,99 2.722,100 65.04,101 22.933,102 60.91,103 34.765,104 69,105 60,106 0.191,107 0.394,108 0.608,109 0.714,110 0.754,111 0.754,112 3.894,113 1.123,114 -5.54,115 -5.42,116 -5.05,121 35.1,123 14,126 6,127 6,144 8,145 2,146 2,160 2,176 19,179 2,180 14,187 16,192 14,200 9,205 2,206 16,214 6,219 12,227 9,232 6,239 14,243 4,244 6,251 18,256 4,264 16,268 1,269 10,277 14,281 7084,282 32.329,283 32.329,284 32.329,285 32.329,286 32.329,287 30.566,288 37.142,289 20.215,290 33.058,291 24.048,292 24.048,293 24.048,294 24.048,295 24.048,296 21.246,297 41.265,298 9.477,299 24.95,300 5.507,301 4.095,302 2.615,303 1.873,304 1.601,305 1.601,306 4.567,313 2558,314 6.481,318 460.338,325 4.458,326 32.547,329 0.5,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.7,337 102,338 1254,339 4.204,340 3.7,341 6.153,342 3.833,343 2.867,344 3.805,345 1.94,346 9.086,347 2.768,348 4.204,349 3.7,350 6.153,351 3.833,352 2.867,353 3.805,354 1.94,355 9.086,356 2.768,357 3.897,358 3.177,359 5.872,360 3.68,361 2.711,362 3.063,363 0.916,364 7.931,365 2.62,366 3.897,367 3.177,368 5.872,369 3.679,370 2.71,371 3.063,372 0.916,373 7.931,374 2.62,375 3.341,376 2.654,377 5.04,378 3.213,379 2.29,380 2.387,381 0.86,382 6.064,383 2.113,384 3.341,385 2.654,386 5.04,387 3.212,388 2.29,389 2.387,390 0.86,391 6.064,392 2.113,393 2.934,394 2.234,395 4.282,396 2.901,397 1.901,398 2.087,399 0.555,400 4.067,401 1.898,402 2.917,403 2.219,404 4.282,405 2.754,406 1.768,407 2.087,408 0.555,409 4.026,410 1.737,411 2.917,412 1.944,413 4.15,414 2.677,415 1.695,416 1.947,417 0.172,418 3.961,419 1.661,420 2.852,421 1.944,422 4.13,423 2.55,424 1.568,425 1.937,426 0.172,427 3.89,428 1.54,429 2.836,430 1.794,431 3.814,432 2.481,433 1.531,434 1.916,436 3.511,437 1.445,438 2.784,439 1.677,440 3.648,441 2.466,442 1.496,443 1.789,445 3.128,446 1.439,447 2.659,448 1.676,449 3.629,450 2.425,451 1.431,452 1.662,454 3.043,455 1.42,456 2.545,457 1.493,458 3.596,459 2.382,460 1.392,461 1.532,463 2.981,464 1.375,465 2.444,466 1.493,467 3.544,468 2.279,469 1.284,470 1.396,472 2.838,473 1.271,474 22.933,475 0.478,476 0.842,477 0.018,478 45,479 0.938,480 16,481 0.333,482 29,483 0.604,484 61.448,485 1.28,486 58.067,487 0.509,488 36.265,489 0.756,490 8.508,491 0.177,492 14.736,493 0.307,494 0.16,496 0.201,501 0.797,502 1.694,503 1.067,504 1.465,505 0.587,506 1.317,507 1.188,508 1.057,509 1.118,510 1.012,511 0.66,512 1.036,513 0.967,514 1.21,515 1.059,516 1.182,517 0.952,518 1.135,519 1.273,520 1.008,521 1.089,522 0.992,523 1.481,524 1.02,525 0.91,526 1.085,527 1.039,528 1.075,529 1.018,530 1.069,531 1.113,532 0.912,533 1.038,534 0.934,535 1.07,536 0.97,537 0.781,538 0.981,539 1.02,540 1.052,541 1.036,542 1.065,543 0.721,544 0.963,545 0.825,546 0.934,547 0.832,548 0.899,549 7.5,550 0.273,551 4.667,552 2.375,553 1.964,554 1.083,555 0.568,556 0.431,557 0.337,558 0.211,559 60333,560 123953,561 1.939,562 57.9,563 16,564 38,568 4,569 8,572 1.832,573 1.823,574 4.593,575 -0.829,582 151.142,583 1.326,584 2.738,585 4.218,586 4.96,587 5.232,588 5.232,589 3.97,590 4.502,591 5.559,592 4.896,593 5522.76,594 9.803,595 143411,600 778.949,601 1.326,602 5.517,603 0.153,604 0.006,605 0.078,606 0.038,607 0.034,608 0.02,609 0.011,610 0.01,611 0.007,612 0.005,613 0.361,614 0.17,615 0.63,616 0.738,617 306.936,618 0.044,619 -0.298,620 0.049,621 -0.149,622 0.033,623 -0.066,624 -0.047,625 0.132,626 -0.035,627 0.056,628 0.025,629 0.022,630 -0.024,631 -0.117,632 -0.038,633 -0.109,634 0.016,635 -0.078,636 -0.068,637 -0.009,638 -0.067,639 -0.008,640 -0.108,641 -0.036,642 -0.046,643 -0.076,644 -0.058,645 -0.074,646 -0.052,647 -0.068,648 -0.102,649 0.046,650 -0.056,651 0.022,652 -0.08,653 -0.007,654 0.041,655 -0.016,656 -0.062,657 -0.06,658 -0.046,659 -0.073,660 0.046,661 -0.051,662 0.109,663 0.019,664 0.042,665 0.063,666 1.401,667 5.546,668 0.25,669 105.215,670 0.983,671 1.138,672 4.311,673 18.584,674 0.609,675 3.912,676 4.111,677 4.248,678 4.317,679 4.382,680 4.263,681 4.19,682 4.174,683 4.127,684 4.111,685 15.584,686 0.555,687 667.1,688 3.912,689 5.389,690 6.168,691 6.969,692 7.762,693 8.567,694 9.365,695 10.172,696 10.974,697 11.783,698 3.5,701 2,705 2,715 8,720 4,722 12,739 2,741 114,743 14,744 2,745 49,747 115,748 40,749 12,750 4,751 8,756 2,757 2,770 14,772 14,773 26,777 2,782 2,786 2,793 66,794 8,796 8,802 4,808 1,809 4,829 2,844 2,855 2,859 2,864 6,868 48,876 20,878 2,881 4,893 3.5,896 2,898 2,901 26.333,902 21.633,903 11.361,904 7.375,907 1.527,908 1.203,909 0.905,910 22.184,911 9.043,912 4.06,913 4.431,914 4.783,915 5.092,916 5.436,917 5.243,918 5.231,919 5.22,920 5.116,921 5.146,922 0.941,923 63,924 17.886,926 6.955,927 0.026,929 7.521,931 35.53,933 27.65,936 2.021,937 97,941 776.893,942 205.547,943 12.497,945 72.29,948 205.547,949 849.182,950 12.497,951 55.352,952 54.366,953 75.81,954 59.699,955 45.106,957 776.893,959 776.893,960 218.044,961 72.29,964 682.724,965 166.458,968 60.615,969 157.429,972 776.893,973 84.787,974 205.547,977 776.893,978 74.385,979 143.659,981 72.29,982 776.893,983 84.787,984 205.547,986 0.55,987 0.312,988 0.153,989 0.076,990 16,991 10,992 0.235,993 27,995 1,996 6.077,997 397.951,999 12,1000 220.078,1005 41.728,1006 25.519,1007 18.227,1009 84.787,1010 16.344,1015 4.288,1018 1067.23,1019 57,1024 25.092,1028 0.531,1031 112.108,1032 129.702,1034 0.194,1035 0.401,1036 0.617,1037 0.726,1038 0.766,1039 0.766,1040 5.252,1041 1.768,1042 6.084,1043 4.067,1044 4.796,1045 5.118,1046 3.013,1047 6.749,1048 4.727,1049 6.35,1050 1.695,1051 7.561,1052 4.026,1053 4.111,1054 4.635,1055 2.339,1056 7.413,1057 3.971,1058 7.577,1059 1.568,1060 9.142,1061 3.961,1062 6.248,1063 7.017,1064 3.737,1065 10.449,1066 6.106,1067 8.839,1068 1.531,1069 10.788,1070 3.89,1071 6.431,1072 7.417,1073 3.823,1074 11.997,1075 6.213,1076 10.139,1077 1.496,1078 12.478,1079 3.511,1080 7.966,1081 9.271,1082 4.841,1083 14.508,1084 7.75,1085 11.466,1086 1.431,1087 14.199,1088 3.128,1089 8.574,1090 10.09,1091 5.232,1092 16.412,1093 8.289,1094 12.814,1095 1.392,1096 15.94,1097 3.043,1098 9.841,1099 11.717,1100 6.078,1101 18.731,1102 9.552,1103 2.867,1104 1.284,1105 17.697,1106 2.981,1107 10.663,1108 12.751,1109 6.605,1110 20.789,1111 10.316,1112 2.867,1113 9.086,1114 19.464,1115 2.838,1116 11.805,1117 14.262,1118 7.363,1119 23.031,1120 11.446,1121 2.711,1122 9.086,1123 21.239,1124 3.805,1125 12.734,1126 15.414,1127 7.956,1128 25.16,1129 12.325,1130 2.71,1131 7.931,1132 23.02,1133 3.805,1134 13.818,1135 16.858,1136 8.669,1137 27.372,1138 13.389,1139 2.29,1140 7.931,1141 24.806,1142 3.063,1143 14.801,1144 18.08,1145 9.296,1146 29.534,1147 14.328,1148 2.29,1149 6.064,1150 26.596,1151 3.063,1152 15.859,1153 19.483,1154 9.985,1155 31.735,1156 15.361,1157 1.901,1158 6.064,1159 28.388,1160 2.387,1161 16.868,1162 20.748,1163 10.629,1164 33.914,1165 16.33,1166 59666,1167 85706,1168 31.781,1169 69.444,1170 68.448,1171 70.137,1172 70.826,1173 68.081,1174 68.013,1175 78.76,1176 17.779,1177 172.125,1178 65.669,1179 5.196,1180 5.7,1181 6.043,1182 4.858,1183 4.867,1184 6.805,1185 3.348,1186 15.258,1187 4.768,1188 29.686,1189 1.397,1190 1.431,1191 1.445,1192 1.389,1193 1.388,1194 1.607,1195 0.363,1196 3.513,1197 1.34,1198 3.982,1199 4.024,1200 3.903,1201 3.885,1202 7.429,1203 3.885,1204 3.922,1205 3.953,1206 3.859,1207 3.844,1208 7.425,1209 3.843,1210 3.85,1211 3.902,1212 3.735,1213 3.71,1214 4.877,1215 3.703,1216 3.792,1217 3.849,1218 3.681,1219 3.633,1220 4.847,1221 3.631,1222 3.736,1223 3.799,1224 3.578,1225 3.607,1226 4.396,1227 3.591,1228 3.67,1229 3.743,1230 3.527,1231 3.493,1232 4.392,1233 3.49,1234 3.603,1235 3.671,1236 3.473,1237 3.399,1238 4.306,1239 3.408,1240 3.506,1241 3.583,1242 3.339,1243 3.328,1244 4.258,1245 3.322,1246 0.086,1247 0.076,1248 0.126,1249 0.078,1250 0.059,1251 4.204,1252 0.078,1253 3.7,1254 0.04,1255 6.153,1256 0.185,1257 3.833,1258 0.056,1259 2.867,1260 3.805,1261 1.94,1262 9.086,1263 2.768,1264 1.911,1265 1.885,1266 2.056,1267 2.028,1268 1.411,1269 2.036,1270 1.911,1271 1.885,1272 2.044,1273 2.027,1274 1.357,1275 2.034,1276 1.818,1277 1.758,1278 2.04,1279 1.993,1280 1.354,1281 2.012,1282 1.774,1283 1.717,1284 1.99,1285 1.957,1286 1.229,1287 1.967,1288 1.75,1289 1.69,1290 1.982,1291 1.913,1292 1.177,1293 1.94,1294 1.655,1295 1.584,1296 1.903,1297 1.861,1298 1.173,1299 1.879,1300 1.561,1301 1.493,1302 1.801,1303 1.794,1304 1.024,1305 1.801,1306 1.499,1307 1.426,1308 1.765,1309 1.716,1310 0.995,1311 1.74,1312 4.595,1314 5.826,1316 7.228,1318 8.711,1320 10.239,1322 11.602,1328 19.764,1330 10.92,1333 8.46,1340 63.276,1341 151.142,1342 312.167,1343 480.871,1344 565.401,1345 596.42,1346 596.42,1347 188.905,1348 7.515,1349 65.56,1350 65.56,1351 12,1352 12.374,1353 3.907,1354 3.17,1355 152.635,1356 462,1357 348,1358 0.149,1359 399.42,1360 712.08,1361 966.346,1362 28741,1364 34.987,1365 0.729,1366 0.65,1367 34.987,1368 31.183,1369 23.244,1370 0.474,1371 0.374,1372 18.086,1373 22.364,1374 17.41,1375 14.735,1376 23.244,1377 18.335,1378 18.991,1379 0.317,1380 0.225,1381 18.991,1382 13.472,1383 14.817,1384 0.215,1385 0.134,1386 14.817,1387 9.215,1388 10.583,1389 0.143,1390 0.083,1391 10.583,1392 6.113,1393 7.652,1394 0.097,1395 0.05,1396 7.652,1397 3.975,1398 0.26,1399 145.56,1400 0.177,1401 44.639,1402 0.351,1403 218,1404 559.523,1405 235.846,1406 530.8,1407 701.62,1408 498,1409 238,1410 478.814,1411 257.292,1412 493.877,1413 696.78,1414 454,1415 6.77}
{0 CHEMBL558598,1 1.69,2 10.1,3 7.015,4 49.21,5 122.73,6 9.095,7 0.515,8 4.038,9 4.15,10 3.777,11 3.652,12 5.127,13 3.615,14 4.579,15 4.741,16 4.197,17 4.058,18 5.654,19 4.002,20 4.858,21 5.059,22 4.308,23 4.19,24 5.934,25 4.105,26 4.878,27 5.096,28 4.345,29 4.16,30 5.978,31 4.083,32 4.806,33 4.994,34 4.23,35 4.15,36 5.942,37 4.093,38 4.835,39 5.008,40 4.349,41 4.22,42 6.015,43 4.152,44 4.925,45 5.106,46 4.395,47 4.239,48 6.141,49 4.138,50 4.877,51 5.11,52 4.156,53 4.119,54 5.875,55 3.976,56 0.093,57 0.735,58 7.45,59 4.281,60 6.48,61 5.47,62 0.208,63 1.198,64 17.034,65 7.574,66 19.153,67 9.78,68 0.523,69 1.466,70 33.279,71 10.597,72 46.166,73 13.545,74 0.628,75 1.505,76 38.162,77 10.473,78 49.985,79 13.22,80 0.492,81 1.412,82 26.139,83 9.53,84 53.671,85 11.556,86 0.395,87 1.434,88 24.903,89 10.044,90 46.302,91 12.413,92 0.612,93 1.454,94 36.146,95 11.544,96 75.128,97 13.827,98 0.564,99 1.341,100 40.285,101 11.88,102 56.494,103 14.939,104 26,105 47,106 0.282,107 0.608,108 0.733,109 0.818,110 0.833,111 0.833,112 3.441,113 0.995,114 -6.31,115 -6.15,116 -5.71,121 43.1,122 1,123 3,127 2,144 7,145 2,146 4,148 1,154 1,160 1,168 1,172 1,176 8,180 6,183 1,187 12,191 2,192 11,195 1,197 3,200 10,205 2,206 9,209 1,211 2,214 9,218 1,219 7,224 1,227 11,232 9,237 3,239 14,244 12,249 5,251 12,256 6,264 7,269 2,274 2,277 12,281 1504,282 20.068,283 20.068,284 20.068,285 20.068,286 20.068,287 17.823,288 21.948,289 11.74,290 20.62,291 16.266,292 16.266,293 16.266,294 16.266,295 16.266,296 12.879,297 23.564,298 5.601,299 17.321,300 3.982,301 2.033,302 1.283,303 0.775,304 0.681,305 0.681,306 4.133,308 3,312 1,313 652,314 3,317 85.308,318 306.421,325 1.507,326 28.973,329 0.75,330 0.67,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.75,337 64,338 303,339 4.701,340 3.644,341 7.047,342 4.31,343 3.343,344 4.462,345 0.98,346 12.083,347 3.235,348 4.218,349 3.368,350 6.333,351 3.798,352 2.852,353 3.852,354 0.4,355 9.447,356 2.697,357 4.032,358 3.074,359 6.042,360 3.662,361 2.693,362 3.583,364 8.553,365 2.575,366 3.75,367 2.899,368 5.392,369 3.423,370 2.479,371 3.104,373 7.042,374 2.339,375 3.504,376 2.718,377 5.243,378 3.206,379 2.286,380 2.812,382 6.437,383 2.059,384 3.446,385 2.659,386 5.061,387 3.026,388 2.135,389 2.556,391 5.999,392 1.834,393 3.138,394 2.218,395 4.79,396 2.734,397 1.773,398 2.291,400 4.994,401 1.655,402 2.969,403 2.153,404 4.713,405 2.514,406 1.626,407 2.104,409 4.548,410 1.388,411 2.626,412 1.492,413 4.089,414 2.398,415 1.41,416 1.682,418 3.225,419 1.338,420 2.515,421 1.325,422 3.973,423 2.142,424 1.17,425 1.51,427 3.113,428 1.115,429 2.5,430 1.275,431 3.548,432 2,433 1,434 1.5,436 2.589,437 1,438 2.353,439 1.077,440 3.414,441 1.984,442 1,443 1.261,445 2.275,446 0.983,447 2,448 1,449 3.247,450 1.898,451 0.933,452 1,454 2.136,455 0.883,456 1.374,457 0.606,458 2.997,459 1.013,460 0.125,461 0.147,463 0.299,464 0.096,465 1.14,466 0.471,467 2.705,468 0.816,469 -0.139,470 -0.16,472 -0.336,473 -0.107,474 15.076,475 0.503,476 0.822,477 0.027,478 36.5,479 1.217,480 17.5,481 0.583,482 19,483 0.633,484 30.2,485 1.007,486 31.724,487 0.622,488 27.862,489 0.929,490 6.916,491 0.231,492 7.519,493 0.251,494 0.197,496 0.352,501 0.559,502 1.138,503 0.523,504 0.828,505 0.52,506 0.832,507 0.708,508 1.299,509 0.585,510 0.848,511 0.492,512 0.856,513 0.921,514 1.108,515 0.877,516 0.922,517 0.783,518 0.916,519 0.987,520 0.912,521 0.762,522 0.787,523 0.885,524 0.807,525 1.233,526 0.932,527 0.651,528 0.733,529 1.692,530 0.798,531 1.037,532 1.15,533 0.672,534 0.913,535 1.329,536 0.942,537 1.283,538 1.168,539 1.064,540 1.104,541 1.46,542 1.107,543 1.186,544 0.904,545 1.042,546 0.917,547 1.186,548 0.961,549 6,550 0.157,551 3.556,552 2.667,553 2.257,554 1.542,555 0.913,556 0.701,557 0.516,558 0.12,559 10754,560 33662,561 2.067,562 41.2,563 5,564 11,567 1,569 4,572 1.737,573 1.915,574 3.295,575 -0.316,582 86.193,583 1.69,584 3.64,585 4.39,586 4.898,587 4.991,588 4.991,589 2.748,590 4.507,591 4.873,592 3.468,593 1508.45,594 8.552,595 20414.8,600 289.294,601 1.475,602 4.828,603 0.182,604 0.007,605 0.076,606 0.054,607 0.047,608 0.031,609 0.018,610 0.015,611 0.014,612 0.004,613 0.449,614 0.33,615 0.75,616 0.594,617 151.38,618 0.059,619 0.042,620 0.013,621 0.002,622 -0.017,623 0.009,624 0.02,625 -0.176,626 0.065,627 0.018,628 0.106,629 0.031,630 0.027,631 -0.05,632 -0.01,634 0.065,635 0.016,636 0.028,637 0.165,638 0.087,639 0.122,640 0.061,641 0.116,642 -0.157,643 0.14,644 0.006,645 0.145,646 -0.23,647 0.094,648 -0.057,649 -0.092,650 0.029,651 -0.018,652 -0.067,653 -0.039,654 -0.09,655 -0.162,656 -0.087,657 -0.149,658 -0.044,659 -0.177,660 -0.137,661 0.048,662 -0.022,663 0.08,664 -0.111,665 0.042,666 1.895,667 6.051,668 0.767,669 29.076,670 1.011,671 1.121,672 5.081,673 25.816,674 0.719,675 3.526,676 3.871,677 4.159,678 4.454,679 4.7,680 4.828,681 4.956,682 5.088,683 5.198,684 5.176,685 6.203,686 0.677,687 463.82,688 3.526,689 5.081,690 5.943,691 6.836,692 7.721,693 8.625,694 9.523,695 10.434,696 11.34,697 12.256,698 7.8,701 1,705 1,706 1,708 1,715 7,716 1,720 8,721 1,722 17,740 3,741 51,743 18,744 2,745 33,747 54,748 22,749 15,750 5,751 7,752 1,756 4,757 4,758 3,763 1,767 3,770 3,772 16,773 6,777 1,782 1,786 1,793 21,794 4,795 1,796 8,797 3,802 4,806 1,808 1,809 1,820 1,828 1,829 3,859 4,864 1,865 3,868 30,876 5,877 1,881 1,892 3,893 2,896 1,901 15.667,902 9.529,903 6.528,904 3.214,907 2.801,908 1.372,909 0.999,910 6.583,911 10.328,912 3.773,913 4.385,914 4.976,915 5.583,916 6.116,917 6.502,918 6.906,919 7.319,920 7.709,921 7.921,922 0.857,923 49,924 11.091,926 4.761,927 0.026,929 7.744,931 21.192,933 17.578,936 2.244,937 67.333,941 235.422,942 116.822,943 39.33,944 117.446,945 25.145,948 116.822,949 378.013,950 39.33,951 8.825,952 29.703,953 66.334,954 46.513,955 27.165,956 2.757,957 235.422,958 117.446,959 235.422,960 156.151,961 25.145,962 117.446,964 188.338,965 72.229,968 46.064,969 93.425,970 134.109,972 235.422,973 64.475,974 234.268,977 235.422,978 41.663,979 79.937,980 17.888,981 159.254,982 235.422,983 64.475,984 234.268,986 0.587,987 0.343,988 0.188,989 0.107,990 23,991 11,992 0.074,993 4,995 1,996 3.997,997 278.553,999 23,1000 139.207,1005 21.503,1006 9.185,1007 4.647,1009 62.698,1010 12.628,1011 4.652,1015 5.037,1016 1.697,1017 17.888,1018 534.164,1019 42.5,1024 13.051,1028 -0.228,1031 51.542,1032 57.187,1034 0.298,1035 0.642,1036 0.774,1037 0.863,1038 0.88,1039 0.88,1040 5.026,1041 1.626,1042 5.943,1043 4.994,1044 4.554,1045 5.072,1046 1.176,1047 6.783,1048 4.438,1049 6.241,1050 1.41,1051 7.521,1052 4.548,1053 4.205,1054 4.945,1056 7.751,1057 3.963,1058 7.559,1059 1.17,1060 9.202,1061 3.225,1062 6.172,1063 7.273,1064 1.063,1065 10.898,1066 5.971,1067 8.912,1068 1,1069 10.943,1070 3.113,1071 6.635,1072 7.972,1074 12.737,1075 6.345,1076 10.3,1077 1,1078 12.725,1079 2.589,1080 8.096,1081 9.796,1082 1.022,1083 15.428,1084 7.825,1085 11.714,1086 0.933,1087 14.537,1088 2.275,1089 8.938,1090 10.884,1092 17.639,1093 8.608,1094 13.147,1095 0.125,1096 16.372,1097 2.136,1098 10.208,1099 12.504,1100 0.993,1101 20.184,1102 9.876,1103 3.343,1104 -0.139,1105 18.225,1106 0.299,1107 11.232,1108 13.786,1110 22.553,1111 10.857,1112 2.852,1113 12.083,1114 20.094,1115 -0.336,1116 12.435,1117 15.319,1118 0.967,1119 25.052,1120 12.045,1121 2.693,1122 9.447,1123 21.974,1124 4.462,1125 13.545,1126 16.699,1128 27.489,1129 13.122,1130 2.479,1131 8.553,1132 23.865,1133 3.852,1134 14.73,1135 18.197,1136 0.942,1137 29.976,1138 14.284,1139 2.286,1140 7.042,1141 25.765,1142 3.583,1143 15.882,1144 19.628,1146 32.442,1147 15.406,1148 2.135,1149 6.437,1150 27.671,1151 3.104,1152 17.066,1153 21.114,1154 0.917,1155 34.928,1156 16.564,1157 1.773,1158 5.999,1159 29.584,1160 2.812,1161 18.24,1162 22.571,1164 37.406,1165 17.708,1166 10336,1167 18515,1168 21.789,1169 36.665,1170 50.191,1171 51.519,1172 52.022,1173 50.083,1174 49.651,1175 63.729,1176 2.76,1177 145.483,1178 46.394,1179 5.701,1180 5.644,1181 6.849,1182 5.346,1183 5.343,1184 7.462,1185 1.96,1186 19.686,1187 5.235,1188 15.647,1189 1.521,1190 1.561,1191 1.576,1192 1.518,1193 1.505,1194 1.931,1195 0.084,1196 4.409,1197 1.406,1198 4.094,1199 4.13,1200 4.155,1201 3.99,1202 7.429,1203 4,1204 3.856,1205 3.908,1206 4.003,1207 3.818,1208 5.068,1209 3.806,1210 3.838,1211 3.873,1212 3.848,1213 3.677,1214 4.943,1215 3.677,1216 3.719,1217 3.75,1218 3.693,1219 3.616,1220 4.789,1221 3.617,1222 3.305,1223 3.368,1224 3.573,1225 3.036,1226 4.611,1227 3.077,1228 3.111,1229 3.206,1230 3.331,1231 2.941,1232 4.367,1233 2.91,1234 3.078,1235 3.172,1236 3.17,1237 2.9,1238 4.259,1239 2.886,1240 2.938,1241 3.005,1242 3.047,1243 2.803,1244 4.061,1245 2.775,1246 0.142,1247 0.11,1248 0.214,1249 0.131,1250 0.101,1251 4.701,1252 0.135,1253 3.644,1254 0.03,1255 7.047,1256 0.366,1257 4.31,1258 0.098,1259 3.343,1260 4.462,1261 0.98,1262 12.083,1263 3.235,1264 1.941,1265 1.92,1266 2.041,1267 2.024,1268 1.39,1269 2.027,1270 1.854,1271 1.836,1272 2.009,1273 2.017,1274 1.16,1275 2.023,1276 1.811,1277 1.745,1278 1.912,1279 1.918,1280 1.044,1281 1.932,1282 1.592,1283 1.563,1284 1.751,1285 1.746,1286 0.871,1287 1.742,1288 1.296,1289 1.248,1290 1.513,1291 1.545,1292 0.825,1293 1.53,1294 1.153,1295 1.064,1296 1.437,1297 1.39,1298 0.611,1299 1.429,1300 1.083,1301 1,1302 1.265,1303 1.376,1304 0.369,1305 1.365,1306 0.902,1307 0.824,1308 1.189,1309 1.171,1310 0.284,1311 1.188,1312 4.205,1314 5.541,1315 2.398,1316 7.071,1317 4.844,1318 8.687,1319 7.05,1320 10.351,1322 1.891,1323 18.621,1328 5.029,1329 2.996,1333 1.96,1340 34.551,1341 86.193,1342 185.62,1343 223.868,1344 249.784,1345 254.539,1346 254.539,1347 55.782,1348 7.527,1349 50.16,1350 50.16,1351 23,1352 12.77,1353 4.248,1354 3.392,1355 46.585,1356 109,1357 122,1358 0.208,1359 222.054,1360 381.68,1361 533.571,1362 16751,1363 5.9,1364 21.25,1365 0.708,1366 0.624,1367 22.75,1368 18.729,1369 14.436,1370 0.437,1371 0.332,1372 9.803,1373 13.154,1374 9.474,1375 7.814,1376 15.302,1377 10.941,1378 13.296,1379 0.283,1380 0.183,1381 14.484,1382 8.605,1383 11.135,1384 0.177,1385 0.095,1386 12.017,1387 5.998,1388 9.47,1389 0.111,1390 0.051,1391 10.373,1392 4.302,1393 7.508,1394 0.069,1395 0.027,1396 8.116,1397 2.892,1398 0.317,1399 98.683,1400 0.214,1401 27.845,1402 0.606,1403 160,1404 461.614,1405 217.709,1406 541.21,1407 714.52,1408 502,1409 190,1410 467.546,1411 235.063,1412 500.762,1413 737.03,1414 472,1415 4.6}
{0 CHEMBL558873,1 1.481,2 8.714,3 3.777,4 14.264,5 106.13,6 6.807,7 0.188,8 4.164,9 4.275,10 3.79,11 3.845,12 5.071,13 3.729,14 4.807,15 4.978,16 4.23,17 4.35,18 5.684,19 4.206,20 5.118,21 5.282,22 4.295,23 4.561,24 6.046,25 4.393,26 5.394,27 5.645,28 4.238,29 4.583,30 6.162,31 4.401,32 5.378,33 5.664,34 4.215,35 4.508,36 6.13,37 4.317,38 5.206,39 5.426,40 4.173,41 4.436,42 6.142,43 4.259,44 5.198,45 5.451,46 4.036,47 4.366,48 6.027,49 4.167,50 5.071,51 5.335,52 3.769,53 4.239,54 5.784,55 4.017,56 0.133,57 0.917,58 16.636,59 8.403,60 12.615,61 9.16,62 0.428,63 1.685,64 34.472,65 16.845,66 33.671,67 17.535,68 0.548,69 2.189,70 45.97,71 22.195,72 55.273,73 23.811,74 0.645,75 2.437,76 55.367,77 22.698,78 61.503,79 28.221,80 0.576,81 2.329,82 54.874,83 22.634,84 54.921,85 28.143,86 0.754,87 2.064,88 48.2,89 19.751,90 78.873,91 22.876,92 0.765,93 1.985,94 47.399,95 19.499,96 67.568,97 22.948,98 0.593,99 1.802,100 41.3,101 16.935,102 42.955,103 20.849,104 40,105 52,106 0.244,107 0.557,108 0.783,109 0.789,110 0.8,111 0.805,112 3.377,113 1.246,114 -3.92,115 -3.87,116 -3.68,121 37.3,122 3,123 1,124 1,126 2,127 2,128 1,129 3,132 1,137 1,138 1,144 2,145 2,146 2,176 6,179 1,180 7,185 1,187 9,192 12,195 1,197 2,200 5,206 6,209 1,211 3,214 5,218 2,219 3,224 2,227 8,231 1,232 2,235 1,237 3,239 7,243 1,244 4,247 1,251 6,255 1,256 4,264 6,277 3,281 1086,282 18.129,283 18.129,284 18.129,285 18.129,286 18.129,287 17.222,288 23.639,289 9.879,290 18.441,291 15.797,292 15.797,293 15.797,294 15.797,295 15.797,296 14.227,297 32.667,298 4.704,299 16.345,300 4.401,301 2.507,302 1.132,303 1.098,304 1.03,305 0.997,306 4.078,311 1,312 1,313 541,314 4.243,317 79.593,318 124.318,321 196.221,322 138.742,323 79.001,325 1.357,326 30.361,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 59.833,338 244,339 4.697,340 3.781,341 8.105,342 4.69,343 3.694,344 4.136,345 1.392,346 14.447,347 3.68,348 4.571,349 3.679,350 7.151,351 4.382,352 3.406,353 3.701,354 1.058,355 12.518,356 3.325,357 4.247,358 3.325,359 6.351,360 3.914,361 2.955,362 3.539,363 0.765,364 9.74,365 2.836,366 3.792,367 3.04,368 6.145,369 3.575,370 2.634,371 3.119,372 0.671,373 8.841,374 2.473,375 3.644,376 2.909,377 5.944,378 3.468,379 2.498,380 2.666,381 0.532,382 8.312,383 2.402,384 3.226,385 2.42,386 5.442,387 3.1,388 2.118,389 2.352,390 0.155,391 6.812,392 2.079,393 3.087,394 2.169,395 5.159,396 2.869,397 1.883,398 2.134,400 6.019,401 1.852,402 2.998,403 2.047,404 5.094,405 2.757,406 1.801,407 2.035,409 5.745,410 1.715,411 2.653,412 1.934,413 4.552,414 2.438,415 1.498,416 1.663,418 4.511,419 1.4,420 2.206,421 1.73,422 3.909,423 2.103,424 1.106,425 1.187,427 2.536,428 1.102,429 1.992,430 1.394,431 3.801,432 1.939,433 0.974,434 0.983,436 2.459,437 0.935,438 1.847,439 1.247,440 3.462,441 1.665,442 0.75,443 0.8,445 2.143,446 0.678,447 1.367,448 0.551,449 3.337,450 1.122,451 0.195,452 0.216,454 0.53,455 0.179,456 0.993,457 0.288,458 3.126,459 0.772,460 -0.188,461 -0.207,463 -0.584,464 -0.179,465 0.89,466 0.125,467 2.959,468 0.68,469 -0.279,470 -0.306,472 -0.842,473 -0.266,474 13.983,475 0.499,476 1.189,477 0.042,478 27.25,479 0.973,480 8,481 0.286,482 19.25,483 0.688,484 36.886,485 1.317,486 31.617,487 0.536,488 18.497,489 0.661,490 4.205,491 0.15,492 8.95,493 0.32,494 0.203,495 0.125,496 0.35,501 1.083,502 1.356,503 0.906,504 1.405,505 1.089,506 1.096,507 1.144,508 1.237,509 1.141,510 1.691,511 0.844,512 1.105,513 1.143,514 1.525,515 1.458,516 1.837,517 1.033,518 1.487,519 0.931,520 0.98,521 0.948,522 0.848,523 0.992,524 0.986,525 0.717,526 0.793,527 0.716,528 0.725,529 0.87,530 0.768,531 1.354,532 1.077,533 1.125,534 1.083,535 1.972,536 1.072,537 1.1,538 0.925,539 1.01,540 0.927,541 1.375,542 0.948,543 0.854,544 1.057,545 1.082,546 1.019,547 0.684,548 1.102,549 8,550 0.156,551 4.667,552 2.417,553 2.621,554 1.403,555 1.077,556 0.786,557 0.456,558 0.268,559 8670,560 17308,561 2.094,562 52.5,564 16,565 2,567 1,569 11,570 1,572 1.717,573 1.888,574 3.111,575 -0.358,577 1,582 87.388,583 1.481,584 3.376,585 4.751,586 4.784,587 4.852,588 4.886,589 2.504,590 4.566,591 4.781,592 3.275,593 1237.81,594 8.351,595 15173.6,597 1,599 1,600 347.076,601 1.809,602 4.695,603 0.25,604 0.013,605 0.09,606 0.045,607 0.055,608 0.029,609 0.025,610 0.021,611 0.016,612 0.016,613 0.559,614 0.67,615 0.88,616 1.163,617 135.742,618 -0.128,619 -0.032,620 0.183,621 0.064,622 -0.188,623 0.106,624 0.082,625 0.125,626 0.087,627 0.032,628 0.076,629 0.134,630 0.014,631 -0.241,632 -0.297,633 -0.266,634 0.025,635 -0.292,636 -0.061,637 -0.054,638 -0.035,639 -0.034,640 -0.079,641 -0.051,642 0.095,643 0.095,644 0.203,645 0.084,646 0.11,647 0.161,648 -0.049,649 -0.07,650 -0.088,651 -0.028,652 -0.109,653 -0.078,654 0.036,655 0.033,656 -0.012,657 0.037,658 -0.029,659 0.015,660 -0.05,661 -0.08,662 -0.134,663 -0.088,664 -0.034,665 -0.132,666 2.685,667 5.506,668 0.679,669 20.898,670 0.991,671 1.124,672 2.689,673 7.229,674 0.666,675 3.497,676 3.97,677 4.304,678 4.615,679 4.956,680 5.209,681 5.497,682 5.775,683 5.93,684 6.057,685 5.443,686 0.605,687 401.63,688 3.497,689 5.13,690 6.038,691 6.986,692 7.918,693 8.864,694 9.806,695 10.753,696 11.698,697 12.647,698 1.7,701 1,715 2,720 4,722 6,739 2,741 59,743 7,744 1,745 32,747 63,748 22,749 6,750 4,751 2,756 5,757 18,763 3,767 4,768 1,770 4,772 8,773 14,774 2,777 1,784 1,786 1,790 1,793 31,794 5,795 1,796 6,797 1,802 1,808 0.2,809 4,811 1,828 2,829 3,832 3,833 2,834 1,849 1,850 1,855 1,857 1,859 1,864 5,868 28,875 1,876 4,878 3,880 4,881 1,882 1,884 1,893 6.8,894 1,897 1,898 2,901 14.833,902 11.983,903 5.576,904 3.646,907 1.688,908 1.197,909 0.966,910 4.395,911 10.268,912 3.611,913 4.212,914 4.712,915 5.22,916 5.764,917 6.122,918 6.526,919 6.927,920 7.216,921 7.485,922 0.833,923 54,924 10.585,926 4.871,927 0.026,929 7.504,931 21.073,933 19.668,936 2.004,937 56.111,939 1,940 1,941 294.278,942 124.518,943 21.135,945 42.806,948 121.475,949 334.399,950 21.809,951 16.793,952 19.151,953 74.868,954 48.289,955 29.353,957 282.506,959 294.278,960 144.684,961 45.652,964 258.964,965 71.458,968 37.272,969 93.286,970 9.476,972 294.278,973 68.301,974 128.976,977 294.278,978 36.119,979 84.635,980 17.031,981 61.29,982 294.278,983 70.251,984 128.976,986 0.628,987 0.374,988 0.181,989 0.103,990 31,991 14,992 0.048,993 3,994 5,995 1.474,996 3.699,997 280.254,998 0.526,999 18,1000 127.851,1005 19.261,1006 6.39,1007 2.972,1009 69.593,1010 4.216,1015 4.079,1017 18.011,1018 496.3,1019 36,1026 2.24,1028 1.433,1031 58.443,1032 66.288,1033 1,1034 0.252,1035 0.574,1036 0.808,1037 0.813,1038 0.825,1039 0.831,1040 4.994,1041 1.801,1042 6.138,1043 6.019,1044 4.654,1045 4.898,1046 2.26,1047 7.117,1048 4.592,1049 6.241,1050 1.498,1051 7.821,1052 5.745,1053 4.691,1054 4.977,1055 0.325,1056 8.534,1057 4.625,1058 7.612,1059 1.106,1060 9.621,1061 4.511,1062 6.494,1063 7.013,1064 2.462,1065 11.633,1066 6.393,1067 9.012,1068 0.974,1069 11.49,1070 2.536,1071 7.287,1072 7.808,1073 0.504,1074 13.827,1075 7.189,1076 10.444,1077 0.75,1078 13.407,1079 2.459,1080 8.693,1081 9.448,1082 2.9,1083 16.574,1084 8.575,1085 11.897,1086 0.195,1087 15.358,1088 2.143,1089 9.78,1090 10.542,1091 0.646,1092 19.056,1093 9.666,1094 13.365,1095 -0.188,1096 17.335,1097 0.53,1098 11.077,1099 12.039,1100 3.451,1101 21.718,1102 10.953,1103 3.694,1104 -0.279,1105 19.333,1106 -0.584,1107 12.279,1108 13.273,1109 0.772,1110 24.304,1111 12.156,1112 3.406,1113 14.447,1114 21.347,1115 -0.842,1116 13.551,1117 14.711,1118 4.057,1119 26.95,1120 13.425,1121 2.955,1122 12.518,1123 23.374,1124 4.136,1125 14.798,1126 16.018,1127 0.888,1128 29.576,1129 14.672,1130 2.634,1131 9.74,1132 25.413,1133 3.701,1134 16.071,1135 17.432,1136 4.69,1137 32.223,1138 15.942,1139 2.498,1140 8.841,1141 27.461,1142 3.539,1143 17.338,1144 18.778,1145 0.997,1146 34.867,1147 17.209,1148 2.118,1149 8.312,1150 29.516,1151 3.119,1152 18.615,1153 20.182,1154 5.336,1155 37.518,1156 18.485,1157 1.883,1158 6.812,1159 31.577,1160 2.666,1161 19.893,1162 21.552,1163 1.102,1164 40.17,1165 19.762,1166 8180,1167 11727,1168 20.69,1169 39.301,1170 51.405,1171 52.523,1172 52.404,1173 50.937,1174 51.023,1175 57.061,1176 9.143,1177 169.226,1178 49.314,1179 5.683,1180 5.781,1181 7.604,1182 5.74,1183 5.694,1184 7.136,1185 2.783,1186 22.717,1187 5.68,1188 16.121,1189 1.606,1190 1.641,1191 1.638,1192 1.592,1193 1.594,1194 1.783,1195 0.286,1196 5.288,1197 1.541,1198 4.11,1199 4.137,1200 4.2,1201 4.521,1202 6.449,1203 4.047,1204 3.851,1205 3.871,1206 4.027,1207 4.007,1208 4.999,1209 3.941,1210 3.786,1211 3.825,1212 3.764,1213 3.715,1214 4.639,1215 3.718,1216 3.487,1217 3.541,1218 3.361,1219 3.327,1220 4.444,1221 3.308,1222 3.377,1223 3.408,1224 3.279,1225 3.269,1226 4.235,1227 3.206,1228 3.29,1229 3.372,1230 3.201,1231 3.17,1232 4.116,1233 3.18,1234 2.977,1235 3.036,1236 2.841,1237 2.846,1238 3.978,1239 2.835,1240 2.966,1241 3.032,1242 2.811,1243 2.744,1244 3.814,1245 2.75,1246 0.147,1247 0.118,1248 0.253,1249 0.147,1250 0.115,1251 4.697,1252 0.129,1253 3.781,1254 0.043,1255 8.105,1256 0.451,1257 4.69,1258 0.115,1259 3.694,1260 4.136,1261 1.392,1262 14.447,1263 3.68,1264 2.001,1265 1.981,1266 2.091,1267 2.094,1268 1.472,1269 2.095,1270 1.877,1271 1.85,1272 1.962,1273 1.872,1274 1.418,1275 1.932,1276 1.727,1277 1.698,1278 1.885,1279 1.827,1280 1.181,1281 1.859,1282 1.48,1283 1.42,1284 1.685,1285 1.679,1286 0.952,1287 1.683,1288 1.375,1289 1.3,1290 1.625,1291 1.522,1292 0.861,1293 1.571,1294 1.207,1295 1.163,1296 1.455,1297 1.469,1298 0.717,1299 1.49,1300 1.137,1301 1.092,1302 1.417,1303 1.408,1304 0.581,1305 1.417,1306 0.971,1307 0.924,1308 1.417,1309 1.239,1310 0.521,1311 1.308,1312 4.174,1314 5.609,1315 3.045,1316 7.229,1317 5.352,1318 8.938,1319 7.424,1320 10.697,1322 11.269,1327 11.506,1328 3.29,1330 17.943,1332 -0.492,1333 2.507,1334 0.111,1336 -1.991,1340 35.667,1341 87.388,1342 199.184,1343 280.282,1344 282.282,1345 286.282,1346 288.282,1347 53.978,1348 8.58,1349 51.16,1350 51.16,1351 28,1352 13.137,1353 3,1354 2.322,1355 37.39,1356 91,1357 81,1358 0.206,1359 212.632,1360 387.57,1361 510.581,1362 62069,1364 19.845,1365 0.709,1366 0.66,1367 20.095,1368 18.489,1369 13.155,1370 0.411,1371 0.415,1372 10.541,1373 11.895,1374 9.774,1375 8.057,1376 13.957,1377 13.294,1378 14.027,1379 0.27,1380 0.287,1381 15.446,1382 14.927,1383 11.903,1384 0.163,1385 0.164,1386 13.304,1387 11.962,1388 9.522,1389 0.095,1390 0.062,1391 10.138,1392 6.194,1393 8.366,1394 0.059,1395 0.035,1396 8.992,1397 4.998,1398 0.309,1399 89.074,1400 0.22,1401 25.706,1402 0.614,1403 168,1404 392.502,1405 213.289,1406 374.24,1407 523.11,1408 354,1409 209,1410 377.729,1411 258.849,1412 398.497,1413 599.59,1414 372,1415 6.066}
{0 CHEMBL561846,1 1.154,2 6.773,3 3.44,4 11.832,5 88.936,6 5.639,8 4.05,9 4.183,10 3.381,11 3.602,12 4.864,13 3.518,14 4.734,15 4.926,16 3.893,17 4.177,18 5.403,19 4.066,20 5.207,21 5.42,22 4.144,23 4.537,24 5.904,25 4.386,26 5.546,27 5.82,28 4.108,29 4.651,30 6.232,31 4.449,32 5.561,33 5.868,34 3.916,35 4.542,36 6.252,37 4.301,38 5.428,39 5.766,40 3.486,41 4.232,42 6.176,43 3.959,44 4.903,45 5.24,46 2.954,47 3.777,48 5.539,49 3.484,50 4.53,51 4.909,52 2.298,53 3.206,54 5.153,55 2.87,56 0.076,57 0.727,58 14.186,59 6.34,60 8.783,61 8.719,62 0.145,63 1.363,64 26.967,65 11.946,66 13.419,67 16.613,68 0.222,69 2.082,70 42.377,71 18.271,72 22.115,73 25.658,74 0.436,75 2.565,76 56.47,77 22.465,78 50.558,79 32.053,80 0.421,81 2.45,82 55.49,83 21.498,84 59.912,85 31.029,86 0.654,87 1.914,88 47.393,89 16.676,90 90.85,91 24.294,92 0.234,93 1.19,94 27.544,95 10.498,96 30.806,97 15.313,98 0.191,99 0.729,100 18.133,101 6.416,102 26.002,103 9.505,104 27,105 42,106 0.197,107 0.448,108 0.714,109 0.851,110 0.889,111 0.889,112 3.151,113 1.119,114 -5.26,115 -5.15,116 -4.82,121 37,122 2,123 8,124 3,125 3,127 1,129 1,136 1,138 1,176 20,185 3,187 32,197 7,200 35,211 8,214 26,224 9,227 19,236 1,237 3,239 13,249 3,251 6,261 2,264 2,274 1,281 460,282 14.39,283 14.39,284 14.39,285 14.39,286 14.39,287 14.26,288 10.156,289 7.554,290 14.433,291 12.14,292 12.14,293 12.14,294 12.14,295 12.14,296 11.884,297 11.903,298 3.353,299 12.234,300 4.601,301 3.13,302 1.571,303 0.769,304 0.546,305 0.546,306 3.835,310 1,311 1,312 1,313 328,314 3.536,317 30.29,318 104.12,319 41.296,322 115.395,323 63.218,325 1.066,326 22.621,328 1,329 1,330 1,331 1,332 0.8,333 1,334 1,335 1,336 0.97,337 46,338 149,339 4.894,340 3.925,341 8.307,342 4.889,343 3.891,344 3.902,345 0.68,346 16.547,347 3.88,348 4.473,349 3.526,350 7.749,351 4.457,352 3.461,353 3.498,355 14.199,356 3.448,357 3.986,358 3.048,359 7.056,360 3.959,361 2.963,362 3.029,364 11.476,365 2.951,366 3.698,367 2.837,368 5.976,369 3.546,370 2.554,371 2.778,373 8.265,374 2.534,375 2.926,376 2.049,377 5.561,378 2.868,379 1.888,380 1.923,382 6.043,383 1.847,384 2.652,385 1.695,386 4.63,387 2.556,388 1.558,389 1.631,391 4.223,392 1.554,393 2.387,394 1.409,395 4.558,396 2.343,397 1.351,398 1.375,400 3.459,401 1.338,402 2.152,403 1.221,404 4.328,405 2.053,406 1.063,407 1.116,409 3.018,410 1.05,411 1.711,412 1.138,413 3.678,414 1.645,415 0.711,416 0.711,418 1.705,419 0.656,420 1.289,421 0.601,422 3.365,423 1.197,424 0.284,425 0.285,427 0.478,428 0.256,429 1.104,430 0.138,431 3.258,432 1.044,433 0.054,434 0.055,436 0.146,437 0.053,438 0.753,439 -0.286,440 3.115,441 0.677,442 -0.314,443 -0.315,445 -0.779,446 -0.311,447 0.623,448 -0.531,449 3.105,450 0.329,451 -0.67,452 -0.765,454 -1.759,455 -0.669,456 0.214,457 -0.61,458 2.669,459 0.196,460 -0.786,461 -0.786,463 -2.239,464 -0.748,465 0.16,466 -0.705,467 2.51,468 0.081,469 -0.87,470 -0.952,472 -2.715,473 -0.842,474 10.667,475 0.485,476 0.902,477 0.041,478 14,479 0.636,480 1,481 0.045,482 13,483 0.591,484 35.465,485 1.612,486 26.533,487 0.491,488 5.384,489 0.245,490 1.082,491 0.049,492 9.274,493 0.422,494 0.203,495 0.141,496 0.234,501 0.964,502 1.181,503 1.116,504 1.18,505 1.045,506 1.163,507 0.737,508 1.052,509 0.984,510 1.053,511 0.707,512 1.042,513 0.679,514 1.321,515 1.152,516 1.319,517 0.668,518 1.281,519 1.043,520 1.123,521 1.108,522 1.124,523 1.035,524 1.122,525 0.874,526 1.095,527 0.998,528 1.089,529 0.842,530 1.058,531 1.513,532 0.71,533 0.949,534 0.716,535 1.485,536 0.776,537 0.894,538 0.933,539 0.943,540 0.936,541 0.951,542 0.943,543 1.092,544 0.601,545 0.715,546 0.601,547 1.119,548 0.622,549 8,551 5.333,552 3.667,553 2.891,554 1.271,555 0.437,556 0.275,557 0.097,559 3892,560 6219,561 2.059,562 59.3,563 23,564 5,567 2,569 2,572 1.657,573 1.846,574 2.727,575 0.169,577 1,582 62.325,583 1.154,584 2.625,585 4.184,586 4.986,587 5.208,588 5.208,589 2.244,590 3.914,591 4.436,592 2.797,593 646.206,594 7.678,595 6495.19,597 1,599 1,600 310.764,601 1.891,602 4.328,603 0.32,605 0.127,606 0.073,607 0.066,608 0.039,609 0.022,610 0.025,611 0.019,613 0.691,614 0.67,615 1,616 0.891,617 95.176,618 -0.07,619 0.146,620 0.047,621 0.14,622 -0.121,623 0.108,624 -0.029,625 0.168,626 0.097,627 0.165,628 -0.032,629 0.145,630 -0.006,631 -0.154,632 -0.105,633 -0.153,634 -0.002,635 -0.139,636 -0.055,637 -0.109,638 -0.108,639 -0.111,640 -0.06,641 -0.113,642 0.024,643 -0.149,644 -0.046,645 -0.141,646 0.045,647 -0.104,648 -0.035,649 0.128,650 0.012,651 0.118,652 -0.023,653 0.075,654 -0.016,655 -0.054,656 -0.031,657 -0.052,658 -0.049,659 -0.044,660 -0.001,661 0.168,662 0.163,663 0.173,664 -0.015,665 0.181,666 1.526,667 5.158,668 0.727,669 11.537,670 0.978,671 1.131,672 4.031,673 16.247,674 0.613,675 3.258,676 3.761,677 4.174,678 4.543,679 4.86,680 5.069,681 5.193,682 5.308,683 5.429,684 5.352,685 4.073,686 0.553,687 304.52,688 3.258,689 4.905,690 5.849,691 6.836,692 7.802,693 8.792,694 9.763,695 10.754,696 11.728,697 12.72,741 54,743 1,745 25,747 57,748 20,756 4,757 10,763 3,764 3,766 3,767 9,768 3,770 9,772 2,773 18,774 3,777 1,778 1,786 1,789 1,790 1,793 32,794 2,795 2,796 2,808 0.25,809 2,810 1,811 1,828 1,829 3,830 1,833 2,834 1,848 1,850 1,857 2,859 1,864 2,868 22,875 2,876 9,880 4,882 3,893 3.7,894 2,901 11.917,902 9.733,903 4.569,904 3.625,907 0.103,908 1.014,909 0.861,910 3.181,911 7.67,912 3.296,913 3.807,914 4.22,915 4.595,916 4.927,917 5.142,918 5.288,919 5.416,920 5.537,921 5.464,922 0.8,923 50,924 8.341,926 3.878,927 0.026,929 7.466,931 17.079,933 16.762,936 1.966,937 43.25,938 0.002,940 1,941 353.133,942 56.879,945 85.367,948 56.879,949 438.5,951 17.65,952 36.043,953 85.367,955 3.186,957 353.133,959 353.133,960 56.879,961 85.367,964 329.591,965 23.542,966 85.367,968 37.927,969 18.952,972 353.133,973 85.367,974 56.879,977 353.133,978 23.462,979 17.65,981 101.134,982 353.133,983 85.367,984 56.879,986 0.625,987 0.407,988 0.221,989 0.122,990 26,991 11,992 0.018,993 1,994 4,995 1.438,996 3.069,997 206.563,998 0.5,999 15,1000 98.107,1005 15.205,1006 4.602,1007 1.78,1009 85.367,1017 85.367,1018 495.379,1019 26,1020 4.338,1028 1.407,1031 52.792,1032 61.062,1034 0.201,1035 0.456,1036 0.727,1037 0.866,1038 0.905,1039 0.905,1040 4.727,1041 1.063,1042 5.989,1043 3.459,1044 4.443,1045 4.489,1046 0.655,1047 7.077,1048 4.428,1049 5.974,1050 0.711,1051 7.745,1052 3.018,1053 4.635,1054 4.691,1056 8.833,1057 4.623,1058 7.383,1059 0.284,1060 9.623,1061 1.705,1062 6.425,1063 6.494,1064 0.356,1065 11.994,1066 6.407,1067 8.822,1068 0.054,1069 11.571,1070 0.478,1071 7.366,1072 7.433,1074 14.453,1075 7.347,1076 10.296,1077 -0.314,1078 13.563,1079 0.146,1080 8.789,1081 8.862,1082 0.18,1083 17.306,1084 8.767,1085 11.79,1086 -0.67,1087 15.583,1088 -0.779,1089 9.982,1090 10.052,1092 19.975,1093 9.958,1094 13.301,1095 -0.786,1096 17.621,1097 -1.759,1098 11.319,1099 11.391,1100 0.087,1101 22.765,1102 11.293,1103 3.891,1104 -0.87,1105 19.673,1106 -2.239,1107 12.598,1108 12.667,1110 25.504,1111 12.569,1112 3.461,1113 16.547,1114 21.735,1115 -2.715,1116 13.922,1117 13.991,1118 0.041,1119 28.284,1120 13.89,1121 2.963,1122 14.199,1123 23.803,1124 3.902,1125 15.233,1126 15.301,1128 31.052,1129 15.199,1130 2.554,1131 11.476,1132 25.878,1133 3.498,1134 16.56,1135 16.629,1136 0.019,1137 33.835,1138 16.524,1139 1.888,1140 8.265,1141 27.957,1142 3.029,1143 17.887,1144 17.955,1146 36.616,1147 17.848,1148 1.558,1149 6.043,1150 30.041,1151 2.778,1152 19.22,1153 19.289,1154 0.009,1155 39.404,1156 19.179,1157 1.351,1158 4.223,1159 32.127,1160 1.923,1161 20.556,1162 20.624,1164 42.193,1165 20.511,1166 3816,1167 4806,1168 15.89,1169 33.091,1170 39.662,1171 40.465,1172 43.214,1173 39.464,1174 39.554,1175 40.604,1176 1.36,1177 139.121,1178 39.132,1179 5.894,1180 5.925,1181 7.706,1182 5.889,1183 5.891,1184 5.902,1185 1.36,1186 26.023,1187 5.88,1188 12.033,1189 1.586,1190 1.619,1191 1.729,1192 1.579,1193 1.582,1194 1.624,1195 0.054,1196 5.565,1197 1.565,1198 4.129,1199 4.164,1200 4.041,1201 4.06,1202 6.457,1203 4.051,1204 3.865,1205 3.908,1206 3.756,1207 3.782,1208 6.447,1209 3.77,1210 3.496,1211 3.553,1212 3.357,1213 3.376,1214 4.701,1215 3.363,1216 3.451,1217 3.508,1218 3.294,1219 3.3,1220 4.382,1221 3.288,1222 3.31,1223 3.385,1224 3.116,1225 3.161,1226 4.071,1227 3.139,1228 3.158,1229 3.244,1230 2.941,1231 2.985,1232 3.865,1233 2.962,1234 2.984,1235 3.062,1236 2.777,1237 2.805,1238 3.698,1239 2.782,1240 2.943,1241 3.043,1242 2.666,1243 2.704,1244 3.604,1245 2.672,1246 0.196,1247 0.157,1248 0.332,1249 0.196,1250 0.156,1251 4.894,1252 0.156,1253 3.925,1254 0.027,1255 8.307,1256 0.662,1257 4.889,1258 0.155,1259 3.891,1260 3.902,1261 0.68,1262 16.547,1263 3.88,1264 2.053,1265 2.02,1266 2.206,1267 2.153,1268 1.692,1269 2.173,1270 1.783,1271 1.737,1272 1.988,1273 1.914,1274 1.404,1275 1.941,1276 1.68,1277 1.639,1278 1.869,1279 1.805,1280 1.191,1281 1.829,1282 1.458,1283 1.397,1284 1.737,1285 1.651,1286 1.043,1287 1.682,1288 1.335,1289 1.267,1290 1.632,1291 1.532,1292 0.917,1293 1.567,1294 1.236,1295 1.159,1296 1.569,1297 1.46,1298 0.833,1299 1.501,1300 1.051,1301 0.958,1302 1.428,1303 1.298,1304 0.666,1305 1.343,1306 0.928,1307 0.829,1308 1.355,1309 1.281,1310 0.441,1311 1.313,1312 3.932,1314 5.389,1315 2.398,1316 7.072,1317 4.949,1318 8.861,1319 7.222,1320 10.707,1322 4.753,1327 21.22,1328 9.564,1332 1.561,1334 0.408,1340 29.858,1341 62.325,1342 141.752,1343 225.951,1344 269.254,1345 281.254,1346 281.254,1347 48.571,1348 7.567,1349 40.46,1350 40.46,1351 23,1352 13.186,1353 1,1354 1,1355 29.525,1356 56,1357 52,1358 0.291,1359 178.109,1360 320.06,1361 426.346,1362 16535,1364 15.751,1365 0.716,1366 0.649,1367 15.751,1368 14.275,1369 10.356,1370 0.414,1371 0.373,1372 9.283,1373 10.212,1374 8.935,1375 7.315,1376 10.356,1377 9.323,1378 10.565,1379 0.252,1380 0.228,1381 10.565,1382 9.575,1383 9.944,1384 0.155,1385 0.135,1386 9.944,1387 8.638,1388 8.61,1389 0.093,1390 0.081,1391 8.61,1392 7.577,1393 7.335,1394 0.057,1395 0.047,1396 7.335,1397 6.025,1398 0.416,1399 63.419,1400 0.251,1401 20.262,1402 0.945,1403 134,1404 208.299,1405 137.543,1406 205.353,1407 284.28,1408 192,1409 173,1410 206.788,1411 176.987,1412 216.717,1413 327.78,1414 203,1415 4.642}
{0 CHEMBL564408,1 1.498,2 8.71,3 4.156,4 17.272,5 115.281,6 6.932,7 0.171,8 4.242,9 4.35,10 3.873,11 3.905,12 5.175,13 3.8,14 4.886,15 5.055,16 4.309,17 4.392,18 5.827,19 4.259,20 5.176,21 5.333,22 4.36,23 4.602,24 6.092,25 4.447,26 5.439,27 5.677,28 4.363,29 4.654,30 6.201,31 4.492,32 5.48,33 5.746,34 4.44,35 4.646,36 6.283,37 4.484,38 5.377,39 5.582,40 4.489,41 4.657,42 6.284,43 4.508,44 5.403,45 5.62,46 4.419,47 4.656,48 6.319,49 4.495,50 5.421,51 5.65,52 4.146,53 4.561,54 6.38,55 4.37,56 0.103,57 0.978,58 17.32,59 8.91,60 12.075,61 9.681,62 0.543,63 1.77,64 36.709,65 17.573,66 48.214,67 18.336,68 0.642,69 2.271,70 48.257,71 22.765,72 58.868,73 24.201,74 0.651,75 2.561,76 57.429,77 23.547,78 61.247,79 29.303,80 0.721,81 2.586,82 60.438,83 24.559,84 75.779,85 30.549,86 0.994,87 2.495,88 57.735,89 23.569,90 80.178,91 26.704,92 0.841,93 2.554,94 58.315,95 24.747,96 70.263,97 28.413,98 0.935,99 2.46,100 57.217,101 22.43,102 105.466,103 27.72,104 59,105 56,106 0.242,107 0.542,108 0.789,109 0.794,110 0.804,111 0.809,112 3.474,113 1.215,114 -4.3,115 -4.24,116 -4,121 37.5,122 4,123 1,124 1,126 2,127 2,128 1,129 3,132 1,137 1,138 1,144 2,145 2,146 2,160 1,176 6,179 2,180 10,187 9,191 1,192 14,200 5,205 1,206 10,214 6,218 3,219 8,227 10,231 3,232 9,239 10,243 2,244 6,251 8,255 2,256 8,264 9,268 1,269 1,277 3,281 1486,282 19.991,283 19.991,284 19.991,285 19.991,286 19.991,287 18.876,288 26.58,289 11.079,290 20.361,291 17.317,292 17.317,293 17.317,294 17.317,295 17.317,296 15.437,297 35.907,298 5.304,299 17.942,300 4.502,301 2.648,302 1.118,303 1.087,304 1.024,305 0.993,306 4.173,311 1,312 1,313 590,314 4.69,317 90.656,318 141.457,321 223.358,322 157.757,323 90.296,325 1.267,326 35.486,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 66.833,338 270,339 4.698,340 3.821,341 8.105,342 4.69,343 3.694,344 4.137,345 2.443,346 14.448,347 3.68,348 4.576,349 3.69,350 7.174,351 4.391,352 3.416,353 3.702,354 1.392,355 12.646,356 3.331,357 4.253,358 3.605,359 6.351,360 3.918,361 2.959,362 3.546,363 1.058,364 9.745,365 2.838,366 3.794,367 3.324,368 6.229,369 3.634,370 2.699,371 3.119,372 0.765,373 9.225,374 2.517,375 3.756,376 3.029,377 5.955,378 3.468,379 2.498,380 2.848,381 0.671,382 8.34,383 2.403,384 3.43,385 2.909,386 5.45,387 3.148,388 2.173,389 2.524,390 0.532,391 6.849,392 2.108,393 3.223,394 2.422,395 5.179,396 3.056,397 2.072,398 2.351,399 0.286,400 6.083,401 2.024,402 3.081,403 2.191,404 5.123,405 2.866,406 1.88,407 2.118,408 0.155,409 5.931,410 1.85,411 2.986,412 2.056,413 4.649,414 2.732,415 1.762,416 2.025,418 4.945,419 1.697,420 2.653,421 1.934,422 4.538,423 2.438,424 1.497,425 1.663,427 4.497,428 1.4,429 2.206,430 1.735,431 3.92,432 2.103,433 1.106,434 1.187,436 2.582,437 1.102,438 2.004,439 1.546,440 3.805,441 1.943,442 0.975,443 0.99,445 2.46,446 0.938,447 1.883,448 1.249,449 3.463,450 1.685,451 0.763,452 0.821,454 2.22,455 0.694,456 1.423,457 0.717,458 3.338,459 1.164,460 0.23,461 0.258,463 0.637,464 0.213,465 1.063,466 0.468,467 3.189,468 0.816,469 -0.14,470 -0.155,472 -0.446,473 -0.132,474 15.317,475 0.494,476 1.295,477 0.042,478 30.75,479 0.992,480 9.5,481 0.306,482 21.25,483 0.685,484 41.916,485 1.352,486 35.083,487 0.548,488 22.983,489 0.741,490 5.001,491 0.161,492 9.547,493 0.308,494 0.218,495 0.114,496 0.353,501 0.961,502 1.4,503 0.872,504 1.431,505 0.759,506 1.116,507 1.043,508 1.223,509 1.091,510 1.674,511 0.585,512 1.083,513 1.241,514 1.481,515 1.479,516 1.831,517 1.015,518 1.464,519 0.876,520 1.001,521 0.935,522 0.876,523 0.732,524 0.995,525 0.731,526 0.799,527 0.691,528 0.705,529 0.716,530 0.752,531 1.35,532 1.058,533 1.073,534 1.139,535 1.193,536 1.02,537 1.071,538 1.11,539 1.108,540 1.197,541 1.121,542 1.098,543 1.059,544 1.148,545 1.211,546 1.004,547 1.783,548 1.221,549 9,550 0.156,551 4.667,552 2.417,553 2.821,554 1.716,555 1.694,556 1.201,557 0.564,558 0.317,559 10729,560 23450,561 2.065,562 51.6,564 16,565 2,568 3,569 11,570 1,572 1.748,573 1.86,574 3.089,575 -0.767,577 1,582 95.886,583 1.498,584 3.352,585 4.882,586 4.913,587 4.976,588 5.007,589 2.492,590 4.543,591 4.928,592 3.261,593 1516.42,594 8.671,595 20152.3,597 1,600 384,601 1.801,602 4.839,603 0.257,604 0.013,605 0.083,606 0.042,607 0.05,608 0.028,609 0.028,610 0.02,611 0.014,612 0.015,613 0.551,614 0.33,615 0.88,616 1.315,617 154.735,618 -0.088,619 -0.08,620 0.18,621 0.035,622 -0.101,623 0.077,624 0.147,625 0.12,626 0.114,627 0.036,628 0.199,629 0.14,630 -0.047,631 -0.197,632 -0.323,633 -0.241,634 -0.096,635 -0.278,636 -0.051,637 -0.053,638 -0.022,639 -0.037,640 -0.071,641 -0.042,642 0.114,643 0.105,644 0.235,645 0.113,646 0.123,647 0.187,648 -0.079,649 0.003,650 -0.01,651 0.019,652 -0.072,653 0.009,654 0.026,655 -0.049,656 -0.073,657 -0.062,658 0.03,659 -0.069,660 -0.076,661 -0.197,662 -0.277,663 -0.163,664 -0.109,665 -0.285,666 2.767,667 5.227,668 0.613,669 24.45,670 0.995,671 1.124,672 3.069,673 9.417,674 0.664,675 3.584,676 4.043,677 4.357,678 4.691,679 5.05,680 5.333,681 5.642,682 5.903,683 6.057,684 6.19,685 5.58,686 0.608,687 443.67,688 3.584,689 5.209,690 6.107,691 7.054,692 7.982,693 8.93,694 9.872,695 10.822,696 11.769,697 12.721,698 1.6,701 1,715 2,720 4,722 6,739 2,741 64,743 8,744 1,745 35,747 68,748 24,749 6,750 4,751 2,756 5,757 18,763 4,767 4,768 1,770 4,772 9,773 15,774 2,777 2,782 1,784 1,786 2,793 33,794 6,796 7,797 1,802 1,808 0.2,809 5,828 2,829 3,832 3,833 2,834 1,846 1,849 1,850 1,855 1,859 1,864 6,868 31,876 4,878 4,880 4,881 1,882 1,884 1,893 7.8,896 1,897 1,898 3,901 16.667,902 13.367,903 6.243,904 3.968,907 1.76,908 1.201,909 0.966,910 5.268,911 10.529,912 3.714,913 4.297,914 4.756,915 5.272,916 5.825,917 6.21,918 6.635,919 7.03,920 7.332,921 7.609,922 0.833,923 58,924 11.691,926 5.296,927 0.026,929 7.573,931 23.059,933 21.032,936 2.073,937 64.278,941 294.278,942 124.518,943 21.135,945 42.806,948 121.475,949 334.399,950 21.809,951 16.793,952 19.151,953 74.868,954 48.289,955 29.353,957 282.506,959 294.278,960 144.684,961 45.652,964 258.964,965 71.458,968 37.272,969 93.286,970 9.476,972 294.278,973 68.301,974 128.976,977 294.278,978 36.119,979 84.635,980 17.031,981 61.29,982 294.278,983 70.251,984 128.976,986 0.62,987 0.355,988 0.179,989 0.109,990 32,991 15,992 0.074,993 5,994 5,995 1.474,996 3.858,997 322.564,998 0.526,999 18,1000 146.825,1005 21.788,1006 7.496,1007 3.648,1009 69.593,1010 4.222,1015 4.024,1017 18.011,1018 496.3,1019 40,1024 12.227,1026 2.271,1028 1.156,1031 63.654,1032 71.912,1033 1,1034 0.25,1035 0.559,1036 0.814,1037 0.819,1038 0.829,1039 0.835,1040 5.085,1041 1.88,1042 6.201,1043 6.083,1044 4.727,1045 4.984,1046 2.977,1047 7.169,1048 4.662,1049 6.327,1050 1.762,1051 7.874,1052 5.931,1053 4.745,1054 5.056,1055 2.283,1056 8.566,1057 4.68,1058 7.691,1059 1.497,1060 9.663,1061 4.945,1062 6.547,1063 7.076,1064 4.048,1065 11.668,1066 6.437,1067 9.083,1068 1.106,1069 11.525,1070 4.497,1071 7.321,1072 7.86,1073 4.278,1074 13.856,1075 7.218,1076 10.506,1077 0.975,1078 13.436,1079 2.582,1080 8.728,1081 9.488,1082 5.555,1083 16.603,1084 8.6,1085 11.951,1086 0.763,1087 15.382,1088 2.46,1089 9.805,1090 10.573,1091 6.16,1092 19.083,1093 9.682,1094 13.412,1095 0.23,1096 17.355,1097 2.22,1098 11.102,1099 12.063,1100 7.231,1101 21.744,1102 10.967,1103 3.694,1104 -0.14,1105 19.35,1106 0.637,1107 12.298,1108 13.293,1109 7.993,1110 24.329,1111 12.167,1112 3.416,1113 14.448,1114 21.363,1115 -0.446,1116 13.57,1117 14.727,1118 8.97,1119 26.974,1120 13.434,1121 2.959,1122 12.646,1123 23.389,1124 4.137,1125 14.815,1126 16.03,1127 9.802,1128 29.599,1129 14.68,1130 2.699,1131 9.745,1132 25.426,1133 3.702,1134 16.087,1135 17.442,1136 10.736,1137 32.245,1138 15.949,1139 2.498,1140 9.225,1141 27.473,1142 3.546,1143 17.353,1144 18.787,1145 11.599,1146 34.888,1147 17.215,1148 2.173,1149 8.34,1150 29.527,1151 3.119,1152 18.63,1153 20.19,1154 12.513,1155 37.538,1156 18.491,1157 2.072,1158 6.849,1159 31.587,1160 2.848,1161 19.907,1162 21.559,1163 13.391,1164 40.189,1165 19.767,1166 10252,1167 15338,1168 22.482,1169 42.517,1170 55.933,1171 57.648,1172 56.958,1173 55.352,1174 55.449,1175 62.578,1176 14.601,1177 181.218,1178 53.589,1179 5.685,1180 5.821,1181 7.604,1182 5.741,1183 5.694,1184 7.137,1185 4.174,1186 22.72,1187 5.68,1188 18.793,1189 1.598,1190 1.647,1191 1.627,1192 1.581,1193 1.584,1194 1.788,1195 0.417,1196 5.178,1197 1.531,1198 4.113,1199 4.14,1200 4.201,1201 4.521,1202 7.433,1203 4.049,1204 3.853,1205 3.872,1206 4.03,1207 4.009,1208 5.002,1209 3.941,1210 3.787,1211 3.825,1212 3.768,1213 3.716,1214 4.707,1215 3.719,1216 3.581,1217 3.608,1218 3.494,1219 3.354,1220 4.45,1221 3.374,1222 3.408,1223 3.458,1224 3.299,1225 3.307,1226 4.311,1227 3.238,1228 3.364,1229 3.397,1230 3.252,1231 3.18,1232 4.224,1233 3.186,1234 3.28,1235 3.365,1236 3.178,1237 3.165,1238 4.102,1239 3.16,1240 2.975,1241 3.033,1242 2.84,1243 2.846,1244 3.975,1245 2.835,1246 0.134,1247 0.109,1248 0.232,1249 0.134,1250 0.106,1251 4.698,1252 0.118,1253 3.821,1254 0.07,1255 8.105,1256 0.413,1257 4.69,1258 0.105,1259 3.694,1260 4.137,1261 2.443,1262 14.448,1263 3.68,1264 2.003,1265 1.983,1266 2.091,1267 2.096,1268 1.478,1269 2.097,1270 1.877,1271 1.85,1272 1.962,1273 1.878,1274 1.42,1275 1.933,1276 1.73,1277 1.701,1278 1.886,1279 1.83,1280 1.182,1281 1.863,1282 1.488,1283 1.435,1284 1.709,1285 1.705,1286 0.958,1287 1.705,1288 1.412,1289 1.368,1290 1.663,1291 1.656,1292 0.861,1293 1.654,1294 1.375,1295 1.3,1296 1.625,1297 1.521,1298 0.738,1299 1.571,1300 1.19,1301 1.15,1302 1.451,1303 1.465,1304 0.68,1305 1.489,1306 1.122,1307 1.067,1308 1.417,1309 1.362,1310 0.581,1311 1.386,1312 4.263,1314 5.687,1315 3.045,1316 7.292,1317 5.352,1318 8.991,1319 7.424,1320 10.745,1322 12.747,1328 3.184,1330 24.261,1332 -0.325,1333 2.514,1334 0.071,1336 -2.073,1340 38.909,1341 95.886,1342 214.529,1343 312.451,1344 314.451,1345 318.451,1346 320.451,1347 62.673,1348 8.769,1349 57.23,1350 57.23,1351 28,1352 13.21,1353 3.17,1354 2.585,1355 43.091,1356 102,1357 96,1358 0.209,1359 232.885,1360 428.32,1361 560,1362 77144,1364 22.129,1365 0.714,1366 0.657,1367 22.379,1368 20.358,1369 14.549,1370 0.416,1371 0.405,1372 11.401,1373 13.149,1374 10.574,1375 8.731,1376 15.35,1377 14.179,1378 15.462,1379 0.276,1380 0.277,1381 16.881,1382 15.51,1383 12.395,1384 0.161,1385 0.159,1386 13.797,1387 12.237,1388 10.204,1389 0.094,1390 0.06,1391 10.802,1392 6.5,1393 9.062,1394 0.058,1395 0.034,1396 9.669,1397 5.29,1398 0.311,1399 98.253,1400 0.211,1401 27.834,1402 0.634,1403 182,1404 471.823,1405 231.718,1406 442.868,1407 611.75,1408 418,1409 224,1410 440.456,1411 276.839,1412 457.285,1413 683.67,1414 427,1415 6.469}
{0 CHEMBL56470,1 1.299,2 12.4,3 3.905,4 15.25,5 103.991,6 6.349,7 0.444,8 4.019,9 4.155,10 3.456,11 3.58,12 4.968,13 3.516,14 4.596,15 4.803,16 3.749,17 3.976,18 5.452,19 3.877,20 4.896,21 5.139,22 3.786,23 4.14,24 5.707,25 3.991,26 5.018,27 5.303,28 3.649,29 4.085,30 5.809,31 3.906,32 4.914,33 5.205,34 3.601,35 4.018,36 5.66,37 3.847,38 4.85,39 5.123,40 3.516,41 4.02,42 5.585,43 3.831,44 4.854,45 5.149,46 3.375,47 3.934,48 5.568,49 3.719,50 4.666,51 4.97,52 3.241,53 3.737,54 5.395,55 3.54,56 0.054,57 0.735,58 12.492,59 5.226,60 7.799,61 7.461,62 0.22,63 1.228,64 22.72,65 8.408,66 17.445,67 12.435,68 0.189,69 1.535,70 30.368,71 11.872,72 26.559,73 17.24,74 0.311,75 1.601,76 34.758,77 12.54,78 43.742,79 18.323,80 0.273,81 1.471,82 31.178,83 11.234,84 35.148,85 16.627,86 0.235,87 1.404,88 28.967,89 11.399,90 25.682,91 16.475,92 0.202,93 1.328,94 28.935,95 11.572,96 30.607,97 16.622,98 0.259,99 1.107,100 24.21,101 9.035,102 30.552,103 13.239,104 5,105 35,106 0.218,107 0.483,108 0.654,109 0.754,110 0.808,111 0.814,112 3.266,113 1.032,114 -5,115 -4.9,116 -4.59,121 41.5,123 3,124 1,126 1,127 4,144 10,145 2,160 1,176 15,179 1,180 6,187 15,192 8,200 6,206 10,214 3,219 4,227 8,231 1,232 2,239 13,251 13,255 1,256 2,264 8,269 4,277 3,281 938,282 17.121,283 17.121,284 17.121,285 17.121,286 17.121,287 15.551,288 16.782,289 10.497,290 17.317,291 13.334,292 13.334,293 13.334,294 13.334,295 13.334,296 11.071,297 19.659,298 5.036,299 13.612,300 4.429,301 2.849,302 1.835,303 1.241,304 0.92,305 0.882,306 3.951,310 1,311 1,312 1,313 663,314 3.317,318 286.69,325 2.064,326 13.288,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 52,338 310,339 4.221,340 3.677,341 6.329,342 3.92,343 2.932,344 3.711,345 1.2,346 9.375,347 2.893,348 3.941,349 3.018,350 5.617,351 3.687,352 2.724,353 3.457,354 0.916,355 7.789,356 2.632,357 3.616,358 2.573,359 5.341,360 3.472,361 2.474,362 2.749,363 0.293,364 6.969,365 2.468,366 3.456,367 2.341,368 5.074,369 3.135,370 2.176,371 2.621,372 0.172,373 5.96,374 2.081,375 3.169,376 2.198,377 4.94,378 2.99,379 2.03,380 2.243,382 5.7,383 1.94,384 2.85,385 2.016,386 3.833,387 2.478,388 1.485,389 1.961,391 3.249,392 1.47,393 2.791,394 1.516,395 3.593,396 2.407,397 1.414,398 1.87,400 3.039,401 1.403,402 2.5,403 1.323,404 3.414,405 2,406 1,407 1.5,409 2.275,410 1,411 2.5,412 1.077,413 3.367,414 2,415 1,416 1.5,418 2.136,419 1,420 2.289,421 1,422 3.247,423 1.984,424 1,425 1.102,427 2.136,428 0.983,429 2,430 1,431 3.247,432 1.881,433 0.861,434 1,436 2.047,437 0.871,438 1.577,439 0.719,440 2.951,441 1.427,442 0.42,443 0.476,445 0.962,446 0.419,447 1.17,448 0.283,449 2.691,450 1,451 0.027,452 0.029,454 0.065,455 0.026,456 0.749,457 -0.314,458 2.156,459 0.461,460 -0.523,461 -0.575,463 -1.18,464 -0.513,465 0.66,466 -0.388,467 2,468 0.28,469 -0.75,470 -1,472 -1.609,473 -0.767,474 12.133,475 0.485,476 0.452,477 0.018,478 28.75,479 1.15,480 13.5,481 0.54,482 15.25,483 0.61,484 21.886,485 0.875,486 27.467,487 0.518,488 18.875,489 0.755,490 5.606,491 0.224,492 6.615,493 0.265,494 0.069,496 0.231,501 0.715,502 1.392,503 0.946,504 1.179,505 0.545,506 1.093,507 1.042,508 1.057,509 1.088,510 1.002,511 0.584,512 1.026,513 0.895,514 1.203,515 1.073,516 1.18,517 0.698,518 1.143,519 1.464,520 1.014,521 1.042,522 0.971,523 1.536,524 0.977,525 1.256,526 0.878,527 0.968,528 0.852,529 1.13,530 0.878,531 0.93,532 0.957,533 1.101,534 1.059,535 0.919,536 1.086,537 0.907,538 0.994,539 0.97,540 1.026,541 1.189,542 1.015,543 1.057,544 0.783,545 0.926,546 0.811,547 1.199,548 0.854,549 4,550 0.103,551 2.222,552 1.125,553 0.964,554 0.451,555 0.423,556 0.273,557 0.082,558 0.108,559 8357,560 17258,561 2.085,562 52.8,563 1,564 21,569 6,572 1.672,573 2,574 3.602,575 -0.869,577 1,582 68.866,583 1.299,584 2.879,585 3.893,586 4.487,587 4.808,588 4.846,589 3.083,590 4.164,591 4.616,592 3.767,593 1129.95,594 7.938,595 14638.4,597 1,599 1,600 303.58,601 1.164,602 4.597,603 0.148,604 0.007,605 0.063,606 0.033,607 0.034,608 0.016,609 0.017,610 0.013,611 0.004,612 0.006,613 0.343,614 0.5,615 1,616 0.477,617 124.36,618 0.051,619 -0.184,620 0.061,621 -0.057,622 0.021,623 -0.009,624 0.001,625 0.099,626 -0.069,627 0.011,628 0.032,629 -0.024,631 -0.173,632 -0.091,633 -0.173,634 0.089,635 -0.143,636 -0.092,637 -0.067,638 -0.038,639 -0.029,640 -0.056,641 -0.031,642 -0.089,643 0.093,644 0.027,645 0.087,646 -0.052,647 0.071,648 -0.046,649 0.025,650 -0.129,651 -0.078,652 -0.088,653 -0.104,654 -0.001,655 -0.094,656 -0.011,657 -0.051,658 -0.079,659 -0.037,660 0.037,661 0.143,662 0.054,663 0.13,664 -0.063,665 0.097,666 1.54,667 5.39,668 0.72,669 25.741,670 0.981,671 1.125,672 3.768,673 14.197,674 0.648,675 3.332,676 3.584,677 3.784,678 3.932,679 4.111,680 3.97,681 4.043,682 4.111,683 4.111,684 4.143,685 7.255,686 0.596,687 336.52,688 3.332,689 4.828,690 5.638,691 6.466,692 7.288,693 8.119,694 8.945,695 9.776,696 10.604,697 11.436,698 3.8,701 1,705 1,715 10,720 2,722 12,730 1,741 53,743 13,744 2,745 27,747 55,748 22,749 12,750 2,751 10,752 1,756 3,757 3,767 2,768 1,770 3,772 13,773 9,774 1,777 1,782 1,786 1,790 1,793 28,794 3,796 3,802 2,808 1,809 1,829 3,855 1,859 3,864 1,868 25,876 7,880 1,881 2,893 1.9,896 1,901 12.5,902 9.483,903 5.639,904 3.351,907 1.785,908 1.261,909 0.96,910 6.381,911 8.625,912 3.555,913 4.007,914 4.449,915 4.838,916 5.254,917 4.979,918 5.159,919 5.167,920 5.173,921 5.307,922 1,923 34,924 9.294,926 3.813,927 0.026,929 7.493,931 18.476,933 15.195,936 1.993,937 49.833,939 1,940 1,941 329.591,942 130.261,943 6.249,945 25.145,948 130.261,949 354.736,950 6.249,951 8.396,952 19.151,953 94.762,954 29.85,955 9.495,957 329.591,959 329.591,960 136.51,961 25.145,964 258.964,965 95.772,968 22.275,969 114.235,972 329.591,973 31.394,974 130.261,977 329.591,978 27.102,979 109.407,981 25.145,982 329.591,983 31.394,984 130.261,986 0.566,987 0.323,988 0.163,989 0.088,990 15,991 6,992 0.109,993 6,995 1,996 3.917,997 188.351,999 18,1000 104.096,1005 17.849,1006 8.937,1007 5.255,1009 31.394,1010 20.271,1015 2.178,1018 491.245,1019 34,1024 12.39,1028 0.127,1031 52.018,1032 59.604,1034 0.227,1035 0.503,1036 0.68,1037 0.783,1038 0.839,1039 0.846,1040 4.754,1041 1,1042 5.572,1043 3.039,1044 4.263,1045 4.691,1046 1.683,1047 6.275,1048 4.224,1049 5.879,1050 1,1051 7.064,1052 2.275,1053 3.611,1054 4.06,1055 0.57,1056 6.946,1057 3.533,1058 7.118,1059 1,1060 8.655,1061 2.136,1062 5.753,1063 6.643,1064 1.703,1065 10.003,1066 5.671,1067 8.385,1068 0.861,1069 10.307,1070 2.136,1071 5.943,1072 6.824,1073 0.877,1074 11.52,1075 5.831,1076 9.686,1077 0.42,1078 11.998,1079 2.047,1080 7.502,1081 8.879,1082 1.856,1083 14.058,1084 7.382,1085 11.009,1086 0.027,1087 13.718,1088 0.962,1089 8.099,1090 9.47,1091 1.159,1092 15.938,1093 7.957,1094 12.35,1095 -0.523,1096 15.457,1097 0.065,1098 9.392,1099 11.26,1100 2.065,1101 18.289,1102 9.239,1103 2.932,1104 -0.75,1105 17.213,1106 -1.18,1107 10.203,1108 12.09,1109 1.472,1110 20.342,1111 10.032,1112 2.724,1113 9.375,1114 18.98,1115 -1.609,1116 11.367,1117 13.72,1118 2.309,1119 22.619,1120 11.183,1121 2.474,1122 7.789,1123 20.758,1124 3.711,1125 12.293,1126 14.703,1127 1.815,1128 24.759,1129 12.093,1130 2.176,1131 6.969,1132 22.544,1133 3.457,1134 13.395,1135 16.226,1136 2.579,1137 27.008,1138 13.182,1139 2.03,1140 5.96,1141 24.338,1142 2.749,1143 14.383,1144 17.31,1145 2.18,1146 29.193,1147 14.154,1148 1.485,1149 5.7,1150 26.139,1151 2.621,1152 15.458,1153 18.761,1154 2.868,1155 31.43,1156 15.216,1157 1.414,1158 3.249,1159 27.944,1160 2.243,1161 16.478,1162 19.915,1163 2.556,1164 33.638,1165 16.222,1166 7995,1167 11571,1168 18.375,1169 34.364,1170 39.599,1171 40.207,1172 39.879,1173 39.145,1174 39.084,1175 48.439,1176 5.163,1177 103.401,1178 38.37,1179 5.221,1180 5.677,1181 6.131,1182 4.955,1183 4.932,1184 6.711,1185 2.293,1186 16.006,1187 4.893,1188 8.849,1189 1.467,1190 1.489,1191 1.477,1192 1.45,1193 1.448,1194 1.794,1195 0.191,1196 3.83,1197 1.421,1198 3.98,1199 4.027,1200 3.897,1201 3.887,1202 7.428,1203 3.883,1204 3.912,1205 3.943,1206 3.844,1207 3.842,1208 4.761,1209 3.838,1210 3.822,1211 3.869,1212 3.708,1213 3.722,1214 4.724,1215 3.711,1216 3.578,1217 3.652,1218 3.462,1219 3.367,1220 4.334,1221 3.379,1222 3.297,1223 3.37,1224 3.163,1225 3.109,1226 4.134,1227 3.113,1228 3.111,1229 3.206,1230 2.907,1231 2.941,1232 3.817,1233 2.91,1234 3.058,1235 3.127,1236 2.866,1237 2.909,1238 3.674,1239 2.899,1240 2.973,1241 3.043,1242 2.745,1243 2.779,1244 3.674,1245 2.758,1246 0.156,1247 0.136,1248 0.234,1249 0.145,1250 0.109,1251 4.221,1252 0.137,1253 3.677,1254 0.044,1255 6.329,1256 0.347,1257 3.92,1258 0.107,1259 2.932,1260 3.711,1261 1.2,1262 9.375,1263 2.893,1264 1.936,1265 1.898,1266 2.102,1267 2.072,1268 1.483,1269 2.085,1270 1.907,1271 1.881,1272 2.028,1273 2.005,1274 1.17,1275 2.012,1276 1.835,1277 1.786,1278 2.006,1279 1.947,1280 1.092,1281 1.97,1282 1.534,1283 1.46,1284 1.781,1285 1.77,1286 1.007,1287 1.779,1288 1.272,1289 1.201,1290 1.564,1291 1.505,1292 0.825,1293 1.528,1294 1.153,1295 1.064,1296 1.513,1297 1.376,1298 0.729,1299 1.429,1300 1.072,1301 1.003,1302 1.414,1303 1.287,1304 0.601,1305 1.337,1306 0.966,1307 0.899,1308 1.195,1309 1.196,1310 0.374,1311 1.193,1312 4.007,1314 5.273,1316 6.735,1318 8.273,1320 9.846,1322 1.917,1328 7.803,1332 0.734,1333 4.413,1340 31.606,1341 68.866,1342 152.573,1343 206.321,1344 237.805,1345 254.825,1346 256.825,1347 40.009,1348 6.841,1349 23.55,1350 23.55,1351 18,1352 12.008,1353 3.807,1354 3,1355 42.167,1356 110,1357 96,1358 0.184,1359 196.715,1360 342.59,1361 471.744,1362 8806,1364 17.485,1365 0.699,1366 0.604,1367 17.485,1368 15.103,1369 12.22,1370 0.453,1371 0.344,1372 9.211,1373 11.947,1374 8.946,1375 7.467,1376 12.22,1377 9.29,1378 10.438,1379 0.298,1380 0.202,1381 10.438,1382 7.087,1383 8.679,1384 0.202,1385 0.121,1386 8.679,1387 5.196,1388 6.536,1389 0.131,1390 0.071,1391 6.536,1392 3.554,1393 5.258,1394 0.088,1395 0.044,1396 5.258,1397 2.642,1398 0.301,1399 75.171,1400 0.233,1401 25.098,1402 0.474,1403 124,1404 281.026,1405 130.377,1406 278.853,1407 379.86,1408 262,1409 140,1410 271.214,1411 147.488,1412 281.129,1413 403.28,1414 263,1415 6.77}
{0 CHEMBL567532,1 1.469,2 18.022,3 10.378,4 107.693,5 189.058,6 7.526,7 0.549,8 4.538,9 4.663,10 4.12,11 4.145,12 5.541,13 4.093,14 5.102,15 5.281,16 4.496,17 4.558,18 6.058,19 4.474,20 5.405,21 5.644,22 4.624,23 4.703,24 6.316,25 4.597,26 5.421,27 5.648,28 4.632,29 4.71,30 6.372,31 4.614,32 5.458,33 5.678,34 4.619,35 4.777,36 6.393,37 4.671,38 5.547,39 5.772,40 4.627,41 4.843,42 6.47,43 4.707,44 5.629,45 5.882,46 4.625,47 4.826,48 6.558,49 4.655,50 5.549,51 5.826,52 4.353,53 4.685,54 6.369,55 4.483,56 0.059,57 1.22,58 17.861,59 8.058,60 10.006,61 11.069,62 0.226,63 2.046,64 35.027,65 14.311,66 28.185,67 19.937,68 0.453,69 2.611,70 55.47,71 19.278,72 56.547,73 27.073,74 0.657,75 2.705,76 56.46,77 18.204,78 60.994,79 25.631,80 0.519,81 2.805,82 54.36,83 19.314,84 59.127,85 26.986,86 0.443,87 2.951,88 59.663,89 22.782,90 67.652,91 31.433,92 0.693,93 2.988,94 74.936,95 25.791,96 103.056,97 35.462,98 0.622,99 2.688,100 73.178,101 24.368,102 83.737,103 33.491,104 18,105 70,106 0.218,107 0.525,108 0.693,109 0.831,110 0.876,111 0.886,112 3.853,113 1.021,114 -7.17,115 -6.96,116 -6.44,121 43.7,122 1,123 10,127 2,144 12,145 3,146 4,148 3,154 1,160 1,163 1,176 19,179 1,180 9,183 1,185 4,187 22,191 1,192 10,195 1,197 4,200 16,205 1,206 13,209 2,211 7,214 15,219 9,224 6,227 22,232 7,237 5,239 29,244 10,249 5,251 29,256 5,260 1,261 1,264 21,269 4,274 1,277 22,281 4840,282 31.871,283 31.871,284 31.871,285 31.871,286 31.871,287 28.416,288 29.055,289 19.251,290 32.407,291 25.167,292 25.167,293 25.167,294 25.167,295 25.167,296 19.802,297 25.295,298 9.092,299 26.178,300 4.973,301 2.906,302 1.771,303 0.839,304 0.537,305 0.468,306 4.567,308 2,313 1834,314 4.416,317 142.183,318 729.068,322 456.558,325 2.455,326 34.523,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.49,337 96.167,338 829,339 4.709,340 3.648,341 7.079,342 4.3,343 3.354,344 4.564,345 1.058,346 12.262,347 3.172,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 4.467,354 0.4,355 11.348,356 3.162,357 4.17,358 3.325,359 6.346,360 3.77,361 2.809,362 3.769,364 9.505,365 2.691,366 4.023,367 3.049,368 6.023,369 3.606,370 2.645,371 3.583,373 8.453,374 2.524,375 3.914,376 2.889,377 5.982,378 3.524,379 2.532,380 3.437,382 8.37,383 2.512,384 3.681,385 2.669,386 5.381,387 3.231,388 2.314,389 3.034,391 6.711,392 2.101,393 3.522,394 2.356,395 5.21,396 3.136,397 2.182,398 2.893,400 6.322,401 2.079,402 3.259,403 2.332,404 5.021,405 2.898,406 1.934,407 2.515,409 5.389,410 1.867,411 3.154,412 2.125,413 4.883,414 2.801,415 1.846,416 2.324,418 5.315,419 1.731,420 2.941,421 1.932,422 4.168,423 2.766,424 1.812,425 2.142,427 3.833,428 1.669,429 2.886,430 1.761,431 4.116,432 2.548,433 1.569,434 2.014,436 3.493,437 1.531,438 2.86,439 1.596,440 3.988,441 2.497,442 1.506,443 1.896,445 3.329,446 1.489,447 2.656,448 1.572,449 3.973,450 2.351,451 1.414,452 1.685,454 3.259,455 1.343,456 2.579,457 1.449,458 3.823,459 2.345,460 1.347,461 1.602,463 3.127,464 1.254,465 2.55,466 1.383,467 3.62,468 2.242,469 1.247,470 1.565,472 2.917,473 1.24,474 22.762,475 0.495,476 0.884,477 0.019,478 57,479 1.239,480 28,481 0.609,482 29,483 0.63,484 51.863,485 1.127,486 48.638,487 0.559,488 45.616,489 0.992,490 10.257,491 0.223,492 12.29,493 0.267,494 0.099,496 0.303,501 0.695,502 1.247,503 0.668,504 0.965,505 0.567,506 0.933,507 0.668,508 1.247,509 0.726,510 1.015,511 0.538,512 1,513 0.909,514 1.041,515 0.793,516 0.856,517 0.738,518 0.834,519 1.162,520 1.028,521 0.923,522 0.918,523 1.075,524 0.92,525 1.212,526 1.021,527 0.858,528 0.931,529 1.233,530 0.984,531 1.085,532 1.084,533 0.871,534 1.039,535 1.249,536 1.09,537 1.027,538 1.032,539 1.001,540 1.076,541 1.224,542 1.075,543 1.17,544 0.893,545 1.124,546 1.008,547 1.332,548 1.026,549 6,550 0.168,551 4.889,552 3.479,553 3.159,554 1.751,555 1.09,556 0.66,557 0.482,558 0.243,559 46778,560 111325,561 2.13,562 47.1,563 15,564 16,567 2,568 4,569 4,572 1.827,573 2.029,574 3.986,575 0.04,582 127.846,583 1.469,584 3.537,585 4.672,586 5.604,587 5.906,588 5.974,589 3.351,590 5.089,591 5.503,592 4.301,593 4451.65,594 9.716,595 94353.6,600 560.536,601 1.265,602 5.471,603 0.118,604 0.005,605 0.07,606 0.045,607 0.041,608 0.023,609 0.015,610 0.01,611 0.01,612 0.006,613 0.342,614 0.17,615 0.5,616 0.547,617 277.426,618 -0.014,619 -0.081,620 0.028,621 0.002,622 0.003,623 0.026,624 0.101,625 -0.144,626 0.04,627 -0.055,628 0.104,629 -0.036,630 0.067,631 -0.004,632 0.117,633 0.103,634 0.116,635 0.133,636 0.022,637 0.064,638 -0.013,639 0.01,640 -0.008,641 0.014,642 -0.138,643 0.062,644 -0.065,645 -0.002,646 -0.1,647 -0.044,648 -0.107,649 -0.064,650 -0.064,651 -0.078,652 -0.064,653 -0.12,654 0.054,655 -0.086,656 0.003,657 -0.08,658 0.068,659 -0.079,660 -0.081,661 0.021,662 -0.048,663 -0.002,664 -0.097,665 -0.02,666 1.824,667 6.442,668 0.674,669 61.957,670 0.992,671 1.12,672 5.936,673 35.239,674 0.686,675 3.951,676 4.263,677 4.585,678 4.898,679 5.176,680 5.288,681 5.425,682 5.513,683 5.553,684 5.455,685 11.065,686 0.638,687 654.74,688 3.951,689 5.493,690 6.358,691 7.245,692 8.135,693 9.037,694 9.939,695 10.848,696 11.757,697 12.671,698 5.7,703 1,705 1,706 1,708 2,714 2,715 12,716 2,720 10,721 1,722 28,729 1,734 1,740 2,741 87,743 29,744 3,745 51,747 92,748 38,749 24,750 6,751 12,752 1,756 6,757 9,758 2,763 1,767 4,770 10,772 25,773 13,777 1,782 1,786 1,793 41,794 5,795 2,796 8,797 2,799 1,802 5,808 0.667,809 1,822 1,828 1,829 5,833 2,859 4,864 1,865 2,868 46,876 12,877 2,892 2,893 1.1,896 1,901 22.667,902 15.802,903 10.306,904 6.019,907 4.29,908 1.481,909 1.009,910 10.954,911 13.213,912 4.205,913 4.81,914 5.451,915 6.083,916 6.666,917 7.023,918 7.429,919 7.798,920 8.12,921 8.193,922 1,923 77,924 17.089,926 7.262,927 0.026,929 7.541,931 33.551,933 28.158,936 2.041,937 93.889,941 459.073,942 191.003,943 71.492,944 78.297,945 25.145,948 191.003,949 562.515,950 71.492,951 8.825,952 47.567,953 113.715,954 83.759,955 31.016,956 2.757,957 459.073,958 78.297,959 459.073,960 262.494,961 25.145,962 78.297,964 411.989,965 72.229,968 68.277,969 142.635,970 129.879,972 459.073,973 96.637,974 269.3,977 459.073,978 68.462,979 124.439,980 36.022,981 137.013,982 459.073,983 96.637,984 269.3,986 0.569,987 0.342,988 0.198,989 0.116,990 32,991 14,992 0.141,993 13,994 2,995 1.129,996 5.532,997 477.274,998 0.129,999 31,1000 250.084,1005 32.56,1006 15.475,1007 7.46,1008 2.331,1009 94.737,1010 23.653,1011 9.811,1015 8.802,1016 2.019,1017 36.022,1018 825.01,1019 66,1024 13.442,1028 -0.157,1031 86.272,1032 97.478,1034 0.228,1035 0.549,1036 0.725,1037 0.87,1038 0.917,1039 0.927,1040 5.438,1041 1.934,1042 6.326,1043 6.322,1044 4.949,1045 5.499,1046 1.27,1047 7.163,1048 4.87,1049 6.635,1050 1.846,1051 7.893,1052 5.389,1053 4.443,1054 5.308,1056 8.145,1057 4.275,1058 7.946,1059 1.812,1060 9.571,1061 5.315,1062 6.547,1063 7.738,1064 1.27,1065 11.32,1066 6.394,1067 9.301,1068 1.569,1069 11.319,1070 3.833,1071 6.948,1072 8.448,1074 13.202,1075 6.717,1076 10.695,1077 1.506,1078 13.112,1079 3.493,1080 8.472,1081 10.321,1082 1.34,1083 15.895,1084 8.242,1085 12.119,1086 1.414,1087 14.938,1088 3.329,1089 9.301,1090 11.445,1092 18.129,1093 9.005,1094 13.565,1095 1.347,1096 16.787,1097 3.259,1098 10.601,1099 13.095,1100 1.423,1101 20.671,1102 10.29,1103 3.354,1104 1.247,1105 18.652,1106 3.127,1107 11.628,1108 14.416,1110 23.048,1111 11.26,1112 3.226,1113 12.262,1114 20.531,1115 2.917,1116 12.845,1117 15.975,1118 1.51,1119 25.544,1120 12.45,1121 2.809,1122 11.348,1123 22.419,1124 4.564,1125 13.961,1126 17.391,1128 27.981,1129 13.516,1130 2.645,1131 9.505,1132 24.316,1133 4.467,1134 15.152,1135 18.914,1136 1.599,1137 30.465,1138 14.672,1139 2.532,1140 8.453,1141 26.219,1142 3.769,1143 16.308,1144 20.376,1146 32.929,1147 15.78,1148 2.314,1149 8.37,1150 28.128,1151 3.583,1152 17.494,1153 21.885,1154 1.69,1155 35.413,1156 16.926,1157 2.182,1158 6.711,1159 30.042,1160 3.437,1161 18.668,1162 23.369,1164 37.89,1165 18.055,1166 42930,1167 66659,1168 34.789,1169 59.665,1170 75.537,1171 77.354,1172 78.359,1173 75.683,1174 75.232,1175 97.616,1176 2.917,1177 214.594,1178 72.104,1179 5.677,1180 5.648,1181 6.988,1182 5.348,1183 5.354,1184 7.564,1185 2.117,1186 19.85,1187 5.172,1188 19.398,1189 1.481,1190 1.517,1191 1.536,1192 1.484,1193 1.475,1194 1.914,1195 0.057,1196 4.208,1197 1.414,1198 4.133,1199 4.167,1200 4.134,1201 4.05,1202 7.429,1203 4.055,1204 4.078,1205 4.112,1206 4.063,1207 3.976,1208 5.03,1209 3.988,1210 3.851,1211 3.874,1212 3.966,1213 3.807,1214 4.965,1215 3.797,1216 3.786,1217 3.846,1218 3.82,1219 3.665,1220 4.918,1221 3.662,1222 3.737,1223 3.781,1224 3.624,1225 3.649,1226 4.732,1227 3.638,1228 3.729,1229 3.774,1230 3.605,1231 3.621,1232 4.413,1233 3.611,1234 3.569,1235 3.646,1236 3.442,1237 3.394,1238 4.335,1239 3.386,1240 3.381,1241 3.458,1242 3.301,1243 3.19,1244 4.274,1245 3.188,1246 0.092,1247 0.072,1248 0.139,1249 0.084,1250 0.066,1251 4.709,1252 0.089,1253 3.648,1254 0.021,1255 7.079,1256 0.24,1257 4.3,1258 0.062,1259 3.354,1260 4.564,1261 1.058,1262 12.262,1263 3.172,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.437,1269 2.163,1270 1.941,1271 1.916,1272 2.032,1273 2.038,1274 1.386,1275 2.037,1276 1.859,1277 1.837,1278 2.017,1279 1.96,1280 1.181,1281 1.985,1282 1.785,1283 1.724,1284 1.953,1285 1.928,1286 1.169,1287 1.945,1288 1.754,1289 1.708,1290 1.949,1291 1.872,1292 1.123,1293 1.902,1294 1.662,1295 1.618,1296 1.864,1297 1.835,1298 1.066,1299 1.844,1300 1.559,1301 1.486,1302 1.831,1303 1.754,1304 1.014,1305 1.785,1306 1.363,1307 1.303,1308 1.595,1309 1.605,1310 0.822,1311 1.606,1312 4.635,1314 5.948,1315 2.398,1316 7.469,1317 4.844,1318 9.094,1319 7.066,1320 10.779,1322 2.039,1323 12.774,1328 12.274,1329 6.901,1340 55.486,1341 127.846,1342 307.709,1343 406.439,1344 487.517,1345 513.781,1346 519.781,1347 86.153,1348 8.924,1349 71.84,1350 71.84,1351 35,1352 13.185,1353 4.907,1354 4,1355 71.382,1356 317,1357 234,1358 0.106,1359 344.569,1360 594.55,1361 832.508,1362 136307,1363 2.3,1364 31.882,1365 0.693,1366 0.607,1367 32.882,1368 27.931,1369 22.546,1370 0.442,1371 0.34,1372 16.552,1373 21.537,1374 16.137,1375 13.378,1376 23.123,1377 17.354,1378 19.504,1379 0.279,1380 0.183,1381 20.283,1382 12.806,1383 16.956,1384 0.175,1385 0.097,1386 17.603,1387 9.414,1388 14.554,1389 0.109,1390 0.052,1391 15.029,1392 6.853,1393 12.42,1394 0.071,1395 0.029,1396 12.868,1397 5.021,1398 0.175,1399 144.429,1400 0.17,1401 41.123,1402 0.267,1403 242,1404 589.743,1405 285.938,1406 645.229,1407 887.72,1408 606,1409 288,1410 628.601,1411 324.062,1412 658.014,1413 976.48,1414 626,1415 5.9}
{0 CHEMBL569978,1 1.378,2 11,3 2.561,4 6.558,5 117.33,6 6.327,7 0.182,8 4.233,9 4.358,10 3.677,11 3.732,12 5.106,13 3.689,14 4.878,15 5.072,16 4.071,17 4.204,18 5.684,19 4.136,20 5.223,21 5.448,22 4.239,23 4.463,24 5.999,25 4.356,26 5.359,27 5.612,28 4.188,29 4.511,30 6.092,31 4.366,32 5.327,33 5.593,34 4.057,35 4.426,36 6.021,37 4.265,38 5.241,39 5.518,40 3.91,41 4.295,42 5.942,43 4.13,44 5.127,45 5.397,46 3.791,47 4.181,48 5.899,49 4.01,50 5.106,51 5.409,52 3.577,53 4.095,54 5.748,55 3.89,56 0.065,57 0.892,58 15.917,59 6.454,60 9.011,61 9.017,62 0.28,63 1.548,64 30.864,65 10.877,66 22.363,67 15.778,68 0.461,69 2.055,70 43.204,71 15.748,72 37.947,73 22.773,74 0.544,75 2.23,76 49.274,77 18.031,78 46.994,79 26.085,80 0.483,81 2.097,82 47.585,83 17.031,84 37.481,85 24.918,86 0.495,87 1.901,88 43.905,89 14.816,90 38.12,91 22.123,92 0.532,93 1.69,94 39.223,95 13.384,96 46.866,97 19.885,98 0.399,99 1.589,100 37.92,101 12.958,102 35.352,103 19.456,104 6,105 48,106 0.224,107 0.487,108 0.712,109 0.817,110 0.867,111 0.867,112 3.409,113 1.035,114 -3.94,115 -3.89,116 -3.69,121 38.1,123 6,125 1,126 1,127 6,129 2,137 2,144 2,145 2,146 2,176 9,180 10,185 2,187 10,191 1,192 10,197 1,200 9,205 1,206 6,209 1,211 1,214 9,218 1,219 5,224 2,227 9,231 1,232 5,237 1,239 3,244 5,247 2,249 2,251 2,256 3,264 4,268 1,269 2,274 1,277 8,281 1166,282 20.126,283 20.126,284 20.126,285 20.126,286 20.126,287 19.282,288 33.916,289 11.745,290 20.658,291 16.24,292 16.24,293 16.24,294 16.24,295 16.24,296 14.776,297 49.643,298 5.493,299 17.039,300 4.599,301 2.984,302 1.597,303 0.952,304 0.647,305 0.647,306 4.124,311 1,312 1,313 714,314 3.317,317 38.45,318 184.466,319 55.754,321 149.104,322 80.472,323 91.348,324 101.2,325 1.586,326 22.032,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 62,338 319,339 4.868,340 4.066,341 8.075,342 4.713,343 3.728,344 4.353,345 0.916,346 15.709,347 3.671,348 4.091,349 3.099,350 6.48,351 3.776,352 2.809,353 3.403,354 0.86,355 9.866,356 2.716,357 3.703,358 2.959,359 5.824,360 3.509,361 2.579,362 2.949,363 0.86,364 7.939,365 2.393,366 3.524,367 2.827,368 5.38,369 3.43,370 2.5,371 2.531,372 0.8,373 6.98,374 2.323,375 3.362,376 2.749,377 5.327,378 3.237,379 2.289,380 2.425,381 0.765,382 6.731,383 2.164,384 3.277,385 2.426,386 5.17,387 3.061,388 2.107,389 2.333,390 0.68,391 6.191,392 2,393 2.945,394 2.282,395 4.851,396 2.653,397 1.734,398 2.026,399 0.172,400 5.063,401 1.586,402 2.799,403 1.771,404 4.676,405 2.54,406 1.556,407 1.812,409 4.428,410 1.527,411 2.552,412 1.6,413 3.808,414 2.455,415 1.486,416 1.552,418 3.239,419 1.434,420 2.158,421 1.204,422 3.724,423 2.079,424 1.103,425 1.115,427 2.43,428 1.074,429 2.064,430 1.165,431 3.635,432 1.984,433 1,434 1,436 2.136,437 0.983,438 2,439 1.077,440 3.295,441 1.721,442 0.752,443 0.906,445 1.855,446 0.725,447 1.875,448 1.004,449 3.247,450 1.626,451 0.73,452 0.816,454 1.527,455 0.647,456 1.458,457 0.649,458 3.075,459 1.302,460 0.355,461 0.383,463 0.817,464 0.333,465 1.141,466 0.393,467 2.853,468 0.946,469 0.014,470 0.016,472 0.029,473 0.013,474 13.8,475 0.476,476 0.651,477 0.022,478 27.25,479 0.94,480 8,481 0.276,482 19.25,483 0.664,484 34.598,485 1.193,486 33.6,487 0.533,488 18.601,489 0.641,490 4.694,491 0.162,492 9.498,493 0.328,494 0.06,495 0.036,496 0.275,501 0.914,502 1.46,503 0.936,504 1.263,505 0.926,506 1.125,507 1.246,508 1.077,509 1.039,510 0.996,511 0.876,512 0.977,513 0.955,514 1.071,515 0.996,516 1.046,517 0.852,518 1.023,519 0.871,520 1.046,521 1,522 1.069,523 0.726,524 1.053,525 0.937,526 1.07,527 0.994,528 1.049,529 0.734,530 1.035,531 1.021,532 1.01,533 1.036,534 1.006,535 0.93,536 1.015,537 0.935,538 1.081,539 1.063,540 1.076,541 1.021,542 1.083,543 0.922,544 0.924,545 0.973,546 0.927,547 1.013,548 0.951,549 6,550 0.119,551 3.556,552 2.576,553 2.003,554 1.143,555 0.621,556 0.4,557 0.226,558 0.185,559 10846,560 20161,561 2.184,562 54,563 2,564 21,567 1,569 6,570 4,572 1.721,573 2.084,574 3.363,575 -0.405,577 1,582 86.801,583 1.378,584 2.993,585 4.38,586 5.025,587 5.33,588 5.33,589 2.879,590 4.349,591 4.821,592 3.558,593 1444.62,594 8.412,595 18809.8,597 1,600 376.569,601 1.373,602 4.801,603 0.182,604 0.005,605 0.074,606 0.047,607 0.04,608 0.027,609 0.017,610 0.013,611 0.009,612 0.008,613 0.421,614 0.5,615 0.88,616 0.601,617 145.378,618 -0.002,619 -0.169,620 0.088,621 -0.047,622 -0.036,623 0.018,624 -0.127,625 0.108,626 -0.001,627 0.073,628 -0.013,629 0.061,630 0.018,631 0.018,632 0.004,633 0.002,634 0.036,635 0.005,636 0.045,637 -0.028,638 -0.02,639 -0.052,640 0.05,641 -0.045,642 -0.009,643 -0.09,644 -0.019,645 -0.054,646 0.001,647 -0.043,648 -0.036,649 -0.027,650 -0.05,651 -0.049,652 -0.031,653 -0.05,654 0.063,655 -0.1,656 -0.078,657 -0.109,658 0.095,659 -0.111,660 -0.055,661 -0.002,662 -0.013,663 0.007,664 -0.037,665 0.003,666 1.752,667 4.208,668 0.793,669 30.036,670 0.989,671 1.131,672 2.709,673 7.337,674 0.628,675 3.526,676 3.892,677 4.248,678 4.605,679 4.942,680 5.153,681 5.347,682 5.533,683 5.62,684 5.73,685 6.388,686 0.581,687 398.6,688 3.526,689 5.094,690 5.984,691 6.905,692 7.825,693 8.763,694 9.699,695 10.647,696 11.594,697 12.548,698 3.2,701 2,715 2,720 4,722 6,739 2,741 63,743 7,744 1,745 33,747 67,748 24,749 6,750 4,751 2,756 5,757 13,764 1,766 1,767 7,770 8,772 8,773 16,777 1,784 2,790 1,793 34,794 5,795 1,796 5,802 2,808 0.4,809 3,811 1,828 1,829 3,830 1,832 2,833 1,834 1,835 1,849 2,855 2,857 1,859 2,864 1,868 29,875 1,876 12,878 2,880 2,881 2,882 1,893 4.8,894 1,898 2,901 13.917,902 11.183,903 6.333,904 4.222,907 1.575,908 1.188,909 0.947,910 5.523,911 9.97,912 3.638,913 4.135,914 4.68,915 5.225,916 5.757,917 6.088,918 6.428,919 6.765,920 6.955,921 7.185,922 1,923 55,924 10.872,926 4.766,927 0.026,929 7.417,931 21.95,933 19.538,936 1.917,937 55.583,940 1,941 388.446,942 93.487,943 6.249,945 64.683,948 93.487,949 453.129,950 6.249,951 10.883,952 27.841,953 80.588,955 45.106,957 388.446,959 388.446,960 99.736,961 64.683,964 270.735,965 139.711,966 42.683,968 34.09,969 46.694,970 18.952,972 388.446,973 70.932,974 93.487,977 388.446,978 44.699,979 55.037,981 64.683,982 388.446,983 70.932,984 93.487,986 0.583,987 0.353,988 0.203,989 0.121,990 26,991 10,992 0.075,993 5,994 4,995 1.304,996 4.015,997 278.092,998 0.348,999 22,1000 136.881,1005 19.713,1006 8.125,1007 3.575,1009 70.932,1010 4.281,1015 4.395,1017 42.683,1018 552.866,1019 37,1026 4.21,1031 62.323,1032 71.268,1034 0.231,1035 0.501,1036 0.733,1037 0.841,1038 0.892,1039 0.892,1040 4.945,1041 1.556,1042 5.999,1043 5.063,1044 4.575,1045 4.82,1046 2.142,1047 6.923,1048 4.487,1049 6.112,1050 1.486,1051 7.624,1052 4.428,1053 4.29,1054 4.635,1055 0.57,1056 8.31,1057 4.174,1058 7.431,1059 1.103,1060 9.374,1061 3.239,1062 6.293,1063 6.869,1064 1.744,1065 11.488,1066 6.149,1067 8.791,1068 1,1069 11.21,1070 2.43,1071 6.909,1072 7.586,1073 0.581,1074 13.83,1075 6.76,1076 10.199,1077 0.752,1078 13.109,1079 2.136,1080 8.405,1081 9.329,1082 1.433,1083 16.666,1084 8.239,1085 11.642,1086 0.73,1087 15.055,1088 1.855,1089 9.43,1090 10.457,1091 0.515,1092 19.309,1093 9.267,1094 13.112,1095 0.355,1096 17.037,1097 1.527,1098 10.773,1099 12.026,1100 1.176,1101 22.077,1102 10.599,1103 3.728,1104 0.014,1105 19.045,1106 0.817,1107 11.972,1108 13.341,1109 0.441,1110 24.801,1111 11.797,1112 2.809,1113 15.709,1114 21.074,1115 0.029,1116 13.279,1117 14.847,1118 0.961,1119 27.556,1120 13.094,1121 2.579,1122 9.866,1123 23.118,1124 4.353,1125 14.547,1126 16.244,1127 0.373,1128 30.302,1129 14.355,1130 2.5,1131 7.939,1132 25.173,1133 3.403,1134 15.851,1135 17.727,1136 0.782,1137 33.056,1138 15.648,1139 2.289,1140 6.98,1141 27.236,1142 2.949,1143 17.146,1144 19.162,1145 0.314,1146 35.807,1147 16.933,1148 2.107,1149 6.731,1150 29.306,1151 2.531,1152 18.453,1153 20.636,1154 0.633,1155 38.561,1156 18.228,1157 1.734,1158 6.191,1159 31.38,1160 2.425,1161 19.76,1162 22.089,1163 0.264,1164 41.314,1165 19.522,1166 10062,1167 13889,1168 22.652,1169 39.557,1170 49.999,1171 49.978,1172 51.681,1173 49.528,1174 49.483,1175 55.239,1176 10.107,1177 149.88,1178 47.176,1179 5.868,1180 6.066,1181 7.876,1182 5.8,1183 5.728,1184 7.353,1185 1.776,1186 24.189,1187 5.671,1188 10.035,1189 1.515,1190 1.514,1191 1.566,1192 1.501,1193 1.499,1194 1.674,1195 0.306,1196 4.542,1197 1.43,1198 4.108,1199 4.128,1200 4.058,1201 4.024,1202 6.451,1203 4.029,1204 3.864,1205 3.932,1206 3.729,1207 3.705,1208 4.94,1209 3.7,1210 3.729,1211 3.767,1212 3.641,1213 3.633,1214 4.538,1215 3.63,1216 3.647,1217 3.707,1218 3.519,1219 3.475,1220 4.359,1221 3.474,1222 3.413,1223 3.484,1224 3.242,1225 3.251,1226 4.282,1227 3.239,1228 3.253,1229 3.315,1230 3.113,1231 3.057,1232 4.19,1233 3.063,1234 3.201,1235 3.262,1236 3.034,1237 2.945,1238 4.065,1239 2.954,1240 3.111,1241 3.206,1242 2.921,1243 2.941,1244 3.809,1245 2.91,1246 0.148,1247 0.123,1248 0.245,1249 0.143,1250 0.113,1251 4.868,1252 0.132,1253 4.066,1254 0.028,1255 8.075,1256 0.476,1257 4.713,1258 0.111,1259 3.728,1260 4.353,1261 0.916,1262 15.709,1263 3.671,1264 1.944,1265 1.926,1266 2.067,1267 2.036,1268 1.428,1269 2.051,1270 1.848,1271 1.795,1272 2.051,1273 2.019,1274 1.418,1275 2.03,1276 1.81,1277 1.764,1278 1.967,1279 1.966,1280 1.262,1281 1.968,1282 1.633,1283 1.569,1284 1.856,1285 1.832,1286 1.117,1287 1.84,1288 1.421,1289 1.35,1290 1.703,1291 1.624,1292 1.027,1293 1.657,1294 1.261,1295 1.209,1296 1.584,1297 1.539,1298 0.825,1299 1.553,1300 1.153,1301 1.064,1302 1.513,1303 1.376,1304 0.699,1305 1.429,1306 1.1,1307 1.038,1308 1.422,1309 1.367,1310 0.606,1311 1.387,1312 4.205,1314 5.557,1315 2.398,1316 7.12,1317 5.043,1318 8.79,1319 7.413,1320 10.525,1322 1.713,1327 10.208,1328 14.026,1330 12.036,1332 -0.417,1333 5.257,1334 -0.125,1340 36.616,1341 86.801,1342 188.568,1343 275.965,1344 316.594,1345 335.814,1346 335.814,1347 47.113,1348 8.395,1349 45.17,1350 45.17,1351 30,1352 13.036,1353 3,1354 2.322,1355 39.607,1356 114,1357 127,1358 0.179,1359 217.887,1360 388.87,1361 523.405,1362 53921,1364 19.847,1365 0.684,1366 0.607,1367 19.847,1368 17.608,1369 14.193,1370 0.43,1371 0.345,1372 11.233,1373 13.647,1374 11.001,1375 8.995,1376 14.193,1377 11.386,1378 12.816,1379 0.267,1380 0.192,1381 12.816,1382 9.222,1383 11.434,1384 0.166,1385 0.108,1386 11.434,1387 7.432,1388 10.074,1389 0.102,1390 0.059,1391 10.074,1392 5.886,1393 8.899,1394 0.064,1395 0.033,1396 8.899,1397 4.635,1398 0.277,1399 88.89,1400 0.21,1401 27.245,1402 0.505,1403 162,1404 368.911,1405 175.353,1406 346.324,1407 484.94,1408 330,1409 198,1410 359.407,1411 213.239,1412 362.036,1413 545.17,1414 342,1415 6.456}
{0 CHEMBL57003,1 1.406,2 7.625,3 0.926,4 0.858,5 62.86,6 6.48,7 0.375,8 3.572,9 3.702,10 3.005,11 3.031,12 4.661,13 2.992,14 4.095,15 4.307,16 3.328,17 3.363,18 5.15,19 3.314,20 4.33,21 4.523,22 3.323,23 3.581,24 5.329,25 3.479,26 4.496,27 4.769,28 3.232,29 3.649,30 5.375,31 3.481,32 4.433,33 4.708,34 2.978,35 3.535,36 5.356,37 3.32,38 4.254,39 4.584,40 2.65,41 3.131,42 5.04,43 2.909,44 3.666,45 3.918,46 2.386,47 2.587,48 4.568,49 2.484,50 3.325,51 3.523,52 2.451,53 2.493,54 4.533,55 2.447,56 0.018,57 0.449,58 7.933,59 3.097,60 6.469,61 4.39,62 0.228,63 0.683,64 14.054,65 4.473,66 22.998,67 6.701,68 0.202,69 0.832,70 17.68,71 6.299,72 27.719,73 8.874,74 0.163,75 0.931,76 20.417,77 7.701,78 27.502,79 11.26,80 0.175,81 0.84,82 19.114,83 7.495,84 35.969,85 10.836,86 0.149,87 0.616,88 16.239,89 5.513,90 29.647,91 8.275,92 0.232,93 0.332,94 9.473,95 2.625,96 18.516,97 3.749,98 0.066,99 0.277,100 6.452,101 2.024,102 10.792,103 2.858,104 35,105 22,106 0.266,107 0.586,108 0.75,109 0.772,110 0.772,111 0.772,112 2.851,113 1.004,114 -0.39,115 -0.52,116 -0.68,121 38.2,122 1,126 2,127 1,136 1,137 1,144 4,146 2,160 1,176 3,179 1,180 4,187 2,189 3,192 2,200 2,203 3,206 2,214 4,219 2,221 1,227 6,239 2,244 1,246 1,253 1,256 1,269 1,277 1,281 252,282 10.102,283 10.102,284 10.102,285 10.102,286 10.102,287 9.079,288 14.522,289 6.021,290 10.335,291 7.844,292 7.844,293 7.844,294 7.844,295 7.844,296 6.316,297 18.118,298 2.727,299 8.251,300 3.681,301 1.991,302 1.125,303 1.008,304 1.008,305 1.008,306 3.466,311 1,312 1,313 234,314 3.606,318 56.792,325 1.422,326 12.353,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 34.5,338 122,339 4.486,340 3.729,341 7.292,342 4.293,343 3.374,344 3.856,345 2.443,346 12.402,347 3.104,348 3.898,349 3.652,350 5.453,351 3.519,352 2.58,353 3.238,354 1.26,355 7.288,356 2.408,357 3.423,358 2.659,359 4.867,360 3.015,361 2.018,362 2.605,363 0.286,364 5.22,365 1.99,366 2.984,367 1.916,368 4.389,369 2.582,370 1.602,371 2.097,372 0.245,373 4.327,374 1.56,375 2.587,376 1.443,377 3.414,378 2.044,379 1.059,380 1.5,382 2.275,383 1.042,384 2.5,385 1,386 3.373,387 2,388 1,389 1.42,391 1.773,392 1,393 1.287,394 0.802,395 2.743,396 0.904,397 -0.029,398 -0.035,400 -0.071,401 -0.027,402 0.853,403 0.19,404 2.353,405 0.435,406 -0.527,407 -0.696,409 -0.831,410 -0.504,411 0.618,412 -0.305,413 2,414 0.145,415 -0.828,416 -0.979,418 -2,419 -0.776,420 0.5,421 -0.437,422 2,423 0.073,424 -1,425 -1,427 -2.089,428 -0.9,429 0.284,430 -0.6,431 2,433 -1,434 -1.42,436 -3,437 -1,439 -1,440 1.338,441 -0.1,442 -1,443 -1.5,444 -0.4,445 -3,446 -1.096,447 -0.475,448 -1.078,449 1,450 -0.644,451 -1.574,452 -1.803,453 -0.4,454 -4.708,455 -1.435,456 -0.5,457 -1.263,458 0.908,459 -0.856,460 -1.758,461 -1.963,462 -0.705,463 -5.164,464 -1.591,465 -0.678,466 -1.629,467 0.586,468 -1,469 -1.916,470 -2.32,471 -0.998,472 -5.275,473 -1.775,474 7.567,475 0.473,476 0.546,477 0.034,478 18.75,479 1.172,480 9,481 0.563,482 9.75,483 0.609,484 11,485 0.688,486 18.533,487 0.545,488 13.293,489 0.831,490 4.132,491 0.258,492 3.322,493 0.208,494 0.308,495 0.053,496 0.198,501 0.786,502 1.649,503 0.927,504 1.37,505 0.685,506 1.194,507 0.897,508 0.945,509 0.844,510 0.827,511 0.439,512 0.798,513 1.38,514 1.191,515 1.276,516 1.156,517 1.081,518 1.195,519 0.581,520 0.963,521 0.919,522 1.007,523 0.45,524 1.007,525 0.445,526 1.119,527 1.017,528 1.22,529 0.85,530 1.212,531 0.634,532 0.851,533 0.705,534 0.864,535 0.738,536 0.809,537 2.062,538 0.689,539 1.151,540 0.655,541 1.034,542 0.771,543 1.599,544 1.086,545 1.084,546 1.117,547 1.379,548 1.019,549 5,551 2.222,552 1.25,553 0.622,554 0.5,555 0.263,556 0.215,557 0.049,558 0.04,559 1674,560 4367,561 1.815,562 52.9,564 15,568 3,572 1.548,573 1.641,574 2.902,575 -0.795,577 1,579 1,582 47.809,583 1.406,584 3.096,585 3.962,586 4.08,587 4.08,588 4.08,589 2.531,590 3.203,591 3.964,592 3.056,593 366.729,594 6.667,595 3186.66,597 1,600 172.974,601 1.749,602 3.867,603 0.313,605 0.101,606 0.06,607 0.033,608 0.038,609 0.029,610 0.031,611 0.006,612 0.013,613 0.624,614 0.83,615 1,616 1.774,617 65.055,618 0.018,619 -0.386,620 0.047,621 -0.209,622 -0.089,623 -0.1,624 0.156,625 0.215,626 0.17,627 0.161,628 0.226,629 0.179,630 -0.228,631 -0.098,632 -0.277,633 -0.113,634 -0.17,635 -0.192,636 -0.003,637 0.024,638 -0.004,639 -0.008,640 0.065,641 -0.003,642 0.095,643 -0.176,644 -0.118,645 -0.212,646 -0.05,647 -0.202,648 0.096,649 -0.038,650 0.223,651 0.032,652 0.047,653 0.13,654 -0.153,655 0.172,656 -0.056,657 0.202,658 -0.16,659 0.091,660 -0.116,661 -0.024,662 -0.028,663 -0.149,664 0.199,665 -0.072,666 1.965,667 3.758,668 0.375,669 11.469,670 0.993,671 1.131,672 -0.839,673 0.704,674 0.629,675 2.833,676 3.135,677 3.219,678 3.332,679 3.367,680 3.367,681 3.367,682 3.219,683 2.197,684 1.609,685 4.604,686 0.586,687 220.32,688 2.833,689 4.344,690 5.13,691 5.994,692 6.808,693 7.676,694 8.502,695 9.372,696 10.203,697 11.074,698 2.9,712 1,715 4,720 2,722 6,741 34,743 8,744 1,745 16,747 34,748 13,749 6,750 2,751 4,756 1,757 1,763 1,772 9,773 4,777 2,778 1,782 1,784 1,786 1,790 1,793 18,794 2,796 3,802 1,803 1,807 1,808 1,809 2,829 1,846 1,848 1,849 1,859 1,864 3,868 16,876 1,878 1,883 1,893 5.9,896 1,898 1,901 9.75,902 7,903 3.625,904 1.951,907 1.368,908 1.252,909 0.87,910 3.993,911 6.789,912 3.091,913 3.57,914 3.917,915 4.393,916 4.825,917 4.904,918 5.094,919 5.094,920 4.176,921 3.726,922 1,923 21,924 5.862,926 2.264,927 0.026,929 7.844,931 11.103,933 8.299,936 2.344,937 37.5,938 0.002,941 211.88,942 106.063,945 36.145,948 106.063,949 248.025,951 25.618,952 17.873,953 47.381,954 32.336,955 19,957 211.88,959 211.88,960 106.063,961 36.145,964 211.88,965 36.145,968 10.931,969 85.656,970 9.476,972 211.88,973 36.145,974 106.063,977 211.88,978 17.297,979 72.999,981 51.912,982 211.88,983 36.145,984 106.063,986 0.575,987 0.303,988 0.152,989 0.071,990 9,991 5,992 0.147,993 5,995 1,996 2.703,997 96.348,999 6,1000 58,1005 12.627,1006 5.059,1007 3.582,1009 36.145,1010 7.531,1015 1.727,1018 354.088,1019 21,1020 3.743,1024 10.758,1026 1.889,1028 -0.299,1031 33.767,1032 38.446,1034 0.276,1035 0.609,1036 0.779,1037 0.802,1038 0.802,1039 0.802,1040 4.311,1041 -0.527,1042 5.187,1043 -0.071,1044 3.807,1045 4.248,1046 2.603,1047 6.033,1048 3.702,1049 5.53,1050 -0.828,1051 6.792,1052 -0.831,1053 3.761,1054 4.159,1055 2.394,1056 7.445,1057 3.54,1058 6.847,1059 -1,1060 8.527,1061 -2,1062 5.517,1063 6.316,1064 3.9,1065 10.386,1066 5.254,1067 8.2,1068 -1,1069 10.343,1070 -2.089,1071 6.236,1072 6.917,1073 4.31,1074 12.578,1075 5.839,1076 9.583,1077 -1,1078 12.211,1079 -3,1080 7.61,1081 8.675,1082 5.503,1083 15.202,1084 7.164,1085 10.989,1086 -1.574,1087 14.114,1088 -3,1089 8.631,1090 9.594,1091 6.169,1092 17.625,1093 8.061,1094 12.413,1095 -1.758,1096 16.043,1097 -4.708,1098 9.885,1099 11.175,1100 7.213,1101 20.173,1102 9.254,1103 3.374,1104 -1.916,1105 17.988,1106 -5.164,1107 11.023,1108 12.263,1109 7.995,1110 22.662,1111 10.283,1112 2.58,1113 12.402,1114 19.945,1115 -5.275,1116 12.243,1117 13.748,1118 8.964,1119 25.188,1120 11.43,1121 2.018,1122 7.288,1123 21.91,1124 3.856,1125 13.425,1126 14.936,1127 9.802,1128 27.697,1129 12.516,1130 1.602,1131 5.22,1132 23.882,1133 3.238,1134 14.637,1135 16.366,1136 10.734,1137 30.218,1138 13.649,1139 1.059,1140 4.327,1141 25.858,1142 2.605,1143 15.838,1144 17.614,1145 11.6,1146 32.733,1147 14.759,1148 1,1149 2.275,1150 27.837,1151 2.097,1152 17.05,1153 19.011,1154 12.512,1155 35.252,1156 15.889,1157 -0.029,1158 1.773,1159 29.818,1160 1.5,1161 18.258,1162 20.297,1163 13.391,1164 37.768,1165 17.011,1166 1882,1167 3130,1168 9.534,1169 21.387,1170 24.006,1171 24.208,1172 24.578,1173 23.357,1174 23.264,1175 29.431,1176 8.467,1177 66.57,1178 22.207,1179 5.253,1180 5.729,1181 7.009,1182 5.303,1183 5.374,1184 6.856,1185 4.174,1186 19.548,1187 5.104,1188 10.371,1189 1.5,1190 1.513,1191 1.536,1192 1.46,1193 1.454,1194 1.839,1195 0.529,1196 4.161,1197 1.388,1198 3.994,1199 4.04,1200 3.927,1201 3.875,1202 7.434,1203 3.882,1204 3.682,1205 3.729,1206 3.579,1207 3.515,1208 4.836,1209 3.517,1210 3.478,1211 3.512,1212 3.37,1213 3.255,1214 4.7,1215 3.277,1216 3.326,1217 3.408,1218 3.143,1219 3.144,1220 4.307,1221 3.134,1222 2.874,1223 3.009,1224 2.687,1225 2.735,1226 4.018,1227 2.715,1228 2.854,1229 2.925,1230 2.596,1231 2.618,1232 3.674,1233 2.578,1234 2.761,1235 2.821,1236 2.499,1237 2.583,1238 3.614,1239 2.57,1240 2.591,1241 2.714,1242 2.244,1243 2.338,1244 3.467,1245 2.296,1246 0.28,1247 0.233,1248 0.456,1249 0.268,1250 0.211,1251 4.486,1252 0.241,1253 3.729,1254 0.153,1255 7.292,1256 0.775,1257 4.293,1258 0.194,1259 3.374,1260 3.856,1261 2.443,1262 12.402,1263 3.104,1264 1.939,1265 1.903,1266 2.069,1267 2.096,1268 1.272,1269 2.092,1270 1.65,1271 1.594,1272 1.852,1273 1.837,1274 0.941,1275 1.839,1276 1.409,1277 1.367,1278 1.686,1279 1.654,1280 0.692,1281 1.661,1282 1.335,1283 1.253,1284 1.649,1285 1.553,1286 0.638,1287 1.591,1288 0.934,1289 0.821,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.886,1295 0.804,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 0.738,1301 0.681,1302 1.14,1303 1.003,1304 0.128,1305 1.045,1306 0.629,1307 0.512,1308 0.935,1309 0.933,1310 0.028,1311 0.943,1312 3.497,1314 4.796,1316 6.286,1318 7.864,1320 9.486,1322 5.594,1328 0.854,1330 4.976,1335 0.726,1340 19.929,1341 47.809,1342 105.269,1343 134.709,1344 138.709,1345 138.709,1346 138.709,1347 28.129,1348 5.421,1349 26.3,1350 26.3,1351 6,1352 11.625,1353 3.17,1354 2.585,1355 34.669,1356 44,1357 40,1358 0.418,1359 129.691,1360 226.9,1361 308.206,1362 1048,1364 12.182,1365 0.761,1366 0.632,1367 12.182,1368 10.117,1369 7.454,1370 0.466,1371 0.335,1372 5.258,1373 7.105,1374 4.994,1375 4.276,1376 7.454,1377 5.354,1378 7.086,1379 0.322,1380 0.204,1381 7.086,1382 4.495,1383 4.651,1384 0.194,1385 0.106,1386 4.651,1387 2.552,1388 3.695,1389 0.137,1390 0.06,1391 3.695,1392 1.619,1393 2.31,1394 0.082,1395 0.028,1396 2.31,1397 0.795,1398 0.639,1399 46.936,1400 0.324,1401 16.289,1402 1.176,1403 76,1404 217.804,1405 84.974,1406 207.769,1407 275.15,1408 192,1409 84,1410 199.163,1411 92.315,1412 200.534,1413 283,1414 186,1415 5}
{0 CHEMBL570158,1 1.588,2 18.038,3 11.265,4 126.898,5 216.619,6 7.916,7 0.492,8 4.658,9 4.771,10 4.364,11 4.287,12 5.657,13 4.228,14 5.224,15 5.388,16 4.698,17 4.702,18 6.318,19 4.615,20 5.53,21 5.755,22 4.787,23 4.839,24 6.488,25 4.725,26 5.55,27 5.775,28 4.761,29 4.807,30 6.565,31 4.703,32 5.585,33 5.814,34 4.793,35 4.857,36 6.539,37 4.746,38 5.661,39 5.889,40 4.824,41 4.911,42 6.656,43 4.792,44 5.694,45 5.938,46 4.774,47 4.94,48 6.592,49 4.791,50 5.7,51 5.944,52 4.789,53 4.947,54 6.629,55 4.787,56 0.127,57 1.401,58 21.658,59 9.314,60 18.731,61 11.973,62 0.424,63 2.345,64 39.132,65 16.393,66 67.067,67 21.618,68 0.495,69 3.037,70 65.252,71 22.546,72 75.094,73 30.036,74 0.795,75 3.159,76 65.174,77 21.17,78 100.66,79 28.133,80 0.685,81 3.29,82 68.162,83 22.616,84 87.125,85 29.556,86 0.841,87 3.414,88 72.035,89 24.809,90 120.687,91 32.676,92 0.668,93 3.499,94 75.938,95 26.746,96 92.98,97 35.463,98 0.693,99 3.445,100 81.834,101 28.787,102 106.194,103 37.245,104 17,105 82,106 0.229,107 0.523,108 0.686,109 0.832,110 0.876,111 0.879,112 3.991,113 1.054,114 -7.69,115 -7.45,116 -6.88,121 43.3,123 9,124 1,127 3,144 17,145 4,146 4,148 2,159 1,161 1,168 1,176 25,179 2,180 8,183 4,185 3,187 31,191 1,192 14,195 1,197 5,200 24,205 4,206 17,209 1,211 9,214 17,218 2,219 15,224 6,227 20,232 23,237 7,239 25,244 16,249 5,251 26,256 16,259 1,261 2,264 31,269 14,274 1,277 37,281 8468,282 36.352,283 36.352,284 36.352,285 36.352,286 36.352,287 32.118,288 32.596,289 21.917,290 37.059,291 29.222,292 29.222,293 29.222,294 29.222,295 29.222,296 22.812,297 34.874,298 10.526,299 30.53,300 5.012,301 2.977,302 1.847,303 0.836,304 0.536,305 0.515,306 4.708,308 2,313 2120,314 5.05,317 169.435,318 1090.79,322 553.843,325 2.3,326 50.318,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.49,337 111.667,338 956,339 4.859,340 4.687,341 7.312,342 4.321,343 3.402,344 4.705,345 1.233,346 12.532,347 3.162,348 4.64,349 3.601,350 6.829,351 4.207,352 3.226,353 4.564,354 1.037,355 11.348,356 3.143,357 4.446,358 3.361,359 6.745,360 4.164,361 3.189,362 3.916,363 0.4,364 11.071,365 3.068,366 3.986,367 3.117,368 6.065,369 3.59,370 2.657,371 3.526,372 0.268,373 8.743,374 2.519,375 3.939,376 2.923,377 5.982,378 3.545,379 2.569,380 3.437,382 8.37,383 2.512,384 3.914,385 2.896,386 5.772,387 3.524,388 2.532,389 3.412,391 7.837,392 2.462,393 3.819,394 2.669,395 5.381,396 3.298,397 2.387,398 3.263,400 6.711,401 2.143,402 3.638,403 2.594,404 5.15,405 3.141,406 2.229,407 2.994,409 6.321,410 2.08,411 3.522,412 2.356,413 5.053,414 3.135,415 2.182,416 2.893,418 6.068,419 1.988,420 3.169,421 2.079,422 4.787,423 2.882,424 1.897,425 2.368,427 5.065,428 1.865,429 3.065,430 1.911,431 4.618,432 2.753,433 1.793,434 2.266,436 4.571,437 1.676,438 2.942,439 1.793,440 4.2,441 2.581,442 1.605,443 2.142,445 3.862,446 1.564,447 2.916,448 1.764,449 4.116,450 2.545,451 1.598,452 1.998,454 3.617,455 1.501,456 2.852,457 1.634,458 3.981,459 2.507,460 1.518,461 1.877,463 3.346,464 1.447,465 2.642,466 1.531,467 3.912,468 2.346,469 1.378,470 1.668,472 3.329,473 1.343,474 26.329,475 0.497,476 1.163,477 0.022,478 67.5,479 1.274,480 34.5,481 0.651,482 33,483 0.623,484 60.026,485 1.133,486 55.871,487 0.576,488 59.699,489 1.126,490 12.355,491 0.233,492 13.499,493 0.255,494 0.08,495 0.032,496 0.262,501 0.544,502 1.2,503 0.692,504 1.039,505 0.626,506 0.917,507 0.608,508 1.147,509 0.769,510 0.998,511 0.534,512 1.009,513 0.921,514 1.106,515 0.889,516 0.982,517 0.8,518 0.936,519 1.143,520 1.125,521 0.931,522 0.961,523 1.046,524 0.961,525 1.088,526 1.083,527 0.805,528 0.927,529 0.988,530 0.933,531 1.056,532 1.089,533 0.841,534 0.99,535 1.11,536 1.004,537 1.025,538 1.011,539 0.888,540 0.957,541 1.01,542 0.998,543 0.941,544 0.957,545 0.963,546 1.043,547 0.986,548 1,549 9,550 0.333,551 6,552 3.222,553 3.266,554 2.001,555 1.036,556 0.882,557 0.849,558 0.484,559 65032,560 163874,561 2.14,562 45.4,563 12,564 23,567 2,568 3,569 4,572 1.866,573 2.045,574 4.019,575 0.042,582 153.989,583 1.588,584 3.623,585 4.753,586 5.764,587 6.064,588 6.084,589 3.329,590 5.185,591 5.703,592 4.328,593 5964.06,594 10.167,595 136263,600 640.192,601 1.308,602 5.674,603 0.153,604 0.005,605 0.073,606 0.037,607 0.039,608 0.023,609 0.012,610 0.011,611 0.011,612 0.006,613 0.37,614 0.17,615 0.5,616 0.389,617 329.049,618 0.107,619 -0.039,620 0.104,621 -0.021,622 -0.082,623 0.033,624 0.221,625 -0.048,626 0.017,627 -0.047,628 0.243,629 -0.064,630 0.011,631 -0.07,632 0.043,633 -0.006,634 0.044,635 0.037,636 0.009,637 -0.034,638 -0.041,639 -0.029,640 0.024,641 -0.033,642 -0.057,643 0.011,644 0.011,645 0.023,646 -0.007,647 0.003,648 0.018,649 -0.05,650 -0.003,651 -0.048,652 0.029,653 -0.053,654 -0.084,655 0.008,656 -0.014,657 0.01,658 -0.075,659 -0.024,660 -0.001,661 0.037,662 0.004,663 -0.004,664 0.035,665 0.002,666 4.879,667 6.607,668 0.698,669 80.1,670 0.997,671 1.119,672 6.456,673 41.676,674 0.696,675 4.094,676 4.419,677 4.7,678 4.984,679 5.263,680 5.371,681 5.501,682 5.649,683 5.753,684 5.73,685 11.237,686 0.649,687 767.89,688 4.094,689 5.645,690 6.5,691 7.383,692 8.261,693 9.155,694 10.043,695 10.943,696 11.837,697 12.741,698 6.2,700 1,701 1,703 1,707 2,708 1,714 2,715 17,716 1,720 8,722 29,734 1,740 2,741 97,743 33,744 4,745 59,747 103,748 42,749 27,750 7,751 17,752 1,756 7,757 10,758 2,759 1,760 1,767 4,768 1,770 9,772 29,773 13,774 1,777 4,780 1,782 2,785 2,786 2,793 44,794 8,795 2,796 11,797 3,802 6,808 0.714,809 2,822 1,828 1,829 6,833 2,859 5,862 1,865 2,868 53,872 1,876 12,877 2,880 1,881 1,892 2,893 2.1,896 2,901 25.917,902 17.086,903 11.597,904 6.318,907 4.228,908 1.465,909 1.015,910 12.323,911 13.329,912 4.363,913 4.97,914 5.524,915 6.094,916 6.652,917 6.917,918 7.244,919 7.573,920 7.901,921 7.969,922 1,923 86,924 20.003,926 8.881,927 0.026,929 7.622,931 38.471,933 32.699,936 2.122,937 112.472,941 494.386,942 229.027,943 87.652,944 78.297,945 44.313,947 5.807,948 223.219,949 616.997,950 87.652,952 29.128,953 183.309,954 81.866,955 64.79,956 1.899,957 494.386,958 78.297,959 494.386,960 310.871,961 44.313,962 84.105,964 447.302,965 91.397,968 86.884,969 189.19,970 118.901,972 494.386,973 131.965,974 307.324,976 5.807,977 494.386,978 62.123,979 164.098,980 34.416,981 172.844,982 494.386,983 131.965,984 307.324,986 0.577,987 0.333,988 0.184,989 0.109,990 38,991 16,992 0.146,993 15,994 2,995 1.108,996 6.025,997 587.524,998 0.108,999 37,1000 289.58,1004 1,1005 37.383,1006 17.471,1007 9.24,1008 2.286,1009 131.965,1010 32.23,1011 4.968,1015 7.108,1017 34.416,1018 933.675,1019 77.5,1022 -3.963,1024 27.213,1027 9.802,1028 1.016,1031 96.661,1032 108.521,1034 0.241,1035 0.549,1036 0.72,1037 0.873,1038 0.919,1039 0.922,1040 5.607,1041 2.229,1042 6.485,1043 6.711,1044 5.106,1045 5.659,1046 1.836,1047 7.318,1048 5.021,1049 6.817,1050 2.182,1051 8.054,1052 6.321,1053 4.691,1054 5.551,1055 0.623,1056 8.396,1057 4.494,1058 8.141,1059 1.897,1060 9.739,1061 6.068,1062 6.735,1063 7.912,1064 1.885,1065 11.496,1066 6.561,1067 9.51,1068 1.793,1069 11.497,1070 5.065,1071 7.201,1072 8.679,1073 1.104,1074 13.454,1075 6.923,1076 10.918,1077 1.605,1078 13.305,1079 4.571,1080 8.698,1081 10.519,1082 2.051,1083 16.113,1084 8.427,1085 12.356,1086 1.598,1087 15.147,1088 3.862,1089 9.567,1090 11.684,1091 1.527,1092 18.397,1093 9.207,1094 13.815,1095 1.518,1096 17.015,1097 3.617,1098 10.859,1099 13.328,1100 2.271,1101 20.929,1102 10.485,1103 3.402,1104 1.378,1105 18.902,1106 3.346,1107 11.91,1108 14.684,1109 1.936,1110 23.337,1111 11.461,1112 3.226,1113 12.532,1114 20.802,1115 3.329,1116 13.129,1117 16.251,1118 2.533,1119 25.835,1120 12.648,1121 3.189,1122 11.348,1123 22.715,1124 4.705,1125 14.26,1126 17.699,1127 2.343,1128 28.293,1129 13.713,1130 2.657,1131 11.071,1132 24.636,1133 4.564,1134 15.458,1135 19.239,1136 2.831,1137 30.785,1138 14.866,1139 2.569,1140 8.743,1141 26.565,1142 3.916,1143 16.624,1144 20.731,1145 2.752,1146 33.265,1147 15.972,1148 2.532,1149 8.37,1150 28.5,1151 3.526,1152 17.817,1153 22.263,1154 3.159,1155 35.76,1156 17.113,1157 2.387,1158 7.837,1159 30.441,1160 3.437,1161 19,1162 23.776,1163 3.162,1164 38.252,1165 18.237,1166 59396,1167 94873,1168 40.334,1169 67.535,1170 88.101,1171 89.741,1172 89.552,1173 88.264,1174 87.763,1175 114.493,1176 5.875,1177 251.401,1178 83.969,1179 5.813,1180 6.687,1181 7.22,1182 5.397,1183 5.402,1184 7.705,1185 2.269,1186 20.063,1187 5.162,1188 21.237,1189 1.493,1190 1.521,1191 1.518,1192 1.496,1193 1.488,1194 1.941,1195 0.1,1196 4.261,1197 1.423,1198 4.135,1199 4.162,1200 4.737,1201 4.08,1202 7.717,1203 4.057,1204 4.073,1205 4.083,1206 4.082,1207 4.03,1208 6.999,1209 3.981,1210 3.999,1211 4.005,1212 4.024,1213 3.941,1214 4.996,1215 3.927,1216 3.852,1217 3.878,1218 3.925,1219 3.805,1220 4.954,1221 3.795,1222 3.778,1223 3.84,1224 3.872,1225 3.656,1226 4.924,1227 3.642,1228 3.732,1229 3.781,1230 3.66,1231 3.643,1232 4.808,1233 3.628,1234 3.699,1235 3.75,1236 3.619,1237 3.585,1238 4.693,1239 3.548,1240 3.578,1241 3.612,1242 3.587,1243 3.461,1244 4.469,1245 3.434,1246 0.082,1247 0.079,1248 0.124,1249 0.073,1250 0.058,1251 4.859,1252 0.08,1253 4.687,1254 0.021,1255 7.312,1256 0.212,1257 4.321,1258 0.054,1259 3.402,1260 4.705,1261 1.233,1262 12.532,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.437,1269 2.163,1270 1.952,1271 1.962,1272 2.057,1273 2.021,1274 1.384,1275 2.057,1276 1.949,1277 1.926,1278 2.03,1279 2.018,1280 1.261,1281 2.034,1282 1.863,1283 1.839,1284 1.963,1285 1.949,1286 1.17,1287 1.978,1288 1.783,1289 1.721,1290 1.952,1291 1.934,1292 1.154,1293 1.952,1294 1.754,1295 1.708,1296 1.949,1297 1.872,1298 1.118,1299 1.902,1300 1.603,1301 1.555,1302 1.834,1303 1.816,1304 1.057,1305 1.822,1306 1.485,1307 1.458,1308 1.651,1309 1.689,1310 0.881,1311 1.705,1312 4.779,1314 6.103,1315 2.398,1316 7.623,1317 4.727,1318 9.238,1319 6.862,1320 10.906,1323 12.281,1328 11.419,1329 6.534,1332 -0.105,1333 1.683,1340 62.936,1341 153.989,1342 351.47,1343 461.037,1344 559.072,1345 588.192,1346 590.192,1347 111.948,1348 9.101,1349 99.05,1350 107.43,1351 41,1352 13.262,1353 5.087,1354 4.285,1355 79.73,1356 346,1357 332,1358 0.101,1359 391.612,1360 684.41,1361 947.292,1362 158351,1363 2.1,1364 36.625,1365 0.691,1366 0.603,1367 37.875,1368 31.975,1369 25.853,1370 0.438,1371 0.351,1372 18.552,1373 23.962,1374 18.004,1375 14.876,1376 27.252,1377 20.736,1378 23.255,1379 0.284,1380 0.197,1381 25.372,1382 16.188,1383 19.451,1384 0.178,1385 0.108,1386 21.119,1387 11.766,1388 16.269,1389 0.112,1390 0.058,1391 17.632,1392 8.436,1393 13.863,1394 0.072,1395 0.033,1396 15.284,1397 6.373,1398 0.165,1399 173.362,1400 0.157,1401 45.494,1402 0.264,1403 282,1404 721.984,1405 366.077,1406 794.936,1407 1084.16,1408 740,1409 332,1410 742.615,1411 415.292,1412 810.254,1413 1187.92,1414 766,1415 6}
{0 CHEMBL570159,1 1.508,2 15.465,3 9.009,4 81.16,5 175.255,6 7.854,7 0.583,8 4.441,9 4.561,10 4.061,11 4.058,12 5.477,13 4.013,14 4.993,15 5.164,16 4.45,17 4.47,18 5.991,19 4.398,20 5.286,21 5.512,22 4.583,23 4.615,24 6.247,25 4.524,26 5.304,27 5.516,28 4.591,29 4.622,30 6.307,31 4.542,32 5.346,33 5.55,34 4.579,35 4.697,36 6.332,37 4.604,38 5.443,39 5.655,40 4.585,41 4.77,42 6.409,43 4.642,44 5.538,45 5.781,46 4.587,47 4.75,48 6.513,49 4.586,50 5.453,51 5.727,52 4.305,53 4.586,54 6.303,55 4.39,56 0.04,57 1.099,58 14.937,59 6.968,60 8.953,61 9.375,62 0.189,63 1.844,64 29.676,65 12.397,66 25.713,67 16.959,68 0.405,69 2.356,70 48.287,71 16.788,72 52.857,73 23.09,74 0.609,75 2.452,76 48.86,77 15.682,78 57.202,79 21.423,80 0.5,81 2.551,82 46.414,83 16.736,84 55.926,85 22.681,86 0.375,87 2.686,88 51.499,89 20.292,90 63.3,91 27.376,92 0.671,93 2.747,94 68.089,95 23.688,96 103.829,97 32.092,98 0.559,99 2.474,100 67.895,101 22.356,102 81.331,103 30.431,104 18,105 67,106 0.228,107 0.553,108 0.718,109 0.843,110 0.883,111 0.891,112 3.788,113 0.991,114 -6.65,115 -6.47,116 -5.99,121 44.9,122 1,123 7,127 2,144 12,145 3,146 4,148 3,154 1,160 1,163 1,176 16,179 1,180 9,183 1,185 4,187 19,191 1,192 10,195 1,197 4,200 14,205 1,206 13,209 2,211 5,214 14,219 9,223 1,224 4,227 22,232 6,237 3,239 27,244 8,247 1,249 7,251 25,256 1,259 1,261 3,264 12,269 3,272 2,274 6,277 11,281 3959,282 29.75,283 29.75,284 29.75,285 29.75,286 29.75,287 26.294,288 29.055,289 17.751,290 30.286,291 23.667,292 23.667,293 23.667,294 23.667,295 23.667,296 18.302,297 25.295,298 8.342,299 24.678,300 4.778,301 2.629,302 1.539,303 0.712,304 0.446,305 0.394,306 4.502,308 2,313 1476,314 4.062,317 125.359,318 641.549,322 399.139,325 2.11,326 34.183,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.67,335 1,336 0.59,337 90.167,338 665,339 4.709,340 3.648,341 7.079,342 4.3,343 3.354,344 4.564,345 1.058,346 12.262,347 3.172,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 4.467,354 0.4,355 11.348,356 3.162,357 4.17,358 3.325,359 6.346,360 3.77,361 2.809,362 3.769,364 9.505,365 2.691,366 4.023,367 3.049,368 6.023,369 3.606,370 2.645,371 3.583,373 8.453,374 2.524,375 3.914,376 2.889,377 5.982,378 3.524,379 2.532,380 3.437,382 8.37,383 2.512,384 3.681,385 2.669,386 5.381,387 3.231,388 2.314,389 3.034,391 6.711,392 2.102,393 3.522,394 2.356,395 5.21,396 3.134,397 2.181,398 2.893,400 6.322,401 2.075,402 3.259,403 2.332,404 5.021,405 2.858,406 1.913,407 2.515,409 5.389,410 1.771,411 3.154,412 2.125,413 4.883,414 2.767,415 1.833,416 2.324,418 5.315,419 1.688,420 2.94,421 1.885,422 4.168,423 2.683,424 1.699,425 2.142,427 3.713,428 1.64,429 2.86,430 1.643,431 4.116,432 2.511,433 1.522,434 2.014,436 3.349,437 1.504,438 2.784,439 1.596,440 3.986,441 2.351,442 1.414,443 1.803,445 3.329,446 1.343,447 2.599,448 1.469,449 3.957,450 2.345,451 1.347,452 1.629,454 3.131,455 1.255,456 2.564,457 1.402,458 3.703,459 2.242,460 1.264,461 1.587,463 3.058,464 1.24,465 2.5,466 1.383,467 3.594,468 2.211,469 1.247,470 1.5,472 2.902,473 1.191,474 21.262,475 0.494,476 0.884,477 0.021,478 55.5,479 1.291,480 28,481 0.651,482 27.5,483 0.64,484 45.73,485 1.063,486 44.738,487 0.574,488 45.172,489 1.051,490 10.257,491 0.239,492 10.79,493 0.251,494 0.106,496 0.325,501 0.693,502 1.227,503 0.633,504 0.925,505 0.569,506 0.89,507 0.672,508 1.228,509 0.694,510 0.976,511 0.546,512 0.959,513 0.939,514 1.053,515 0.802,516 0.852,517 0.765,518 0.828,519 1.206,520 1.038,521 0.945,522 0.923,523 1.119,524 0.927,525 1.232,526 0.995,527 0.871,528 0.93,529 1.272,530 0.997,531 1.077,532 1.108,533 0.877,534 1.071,535 1.268,536 1.128,537 0.963,538 1.063,539 1.004,540 1.116,541 1.194,542 1.112,543 1.108,544 0.955,545 1.122,546 1.046,547 1.231,548 1.048,549 6,550 0.218,551 4.889,552 3.479,553 3.159,554 1.751,555 1.09,556 0.629,557 0.432,558 0.223,559 35677,560 88674,561 2.14,562 44.9,563 9,564 16,567 2,568 4,569 4,572 1.815,573 2.031,574 3.806,575 0.068,582 117.602,583 1.508,584 3.657,585 4.746,586 5.574,587 5.84,588 5.891,589 3.148,590 4.769,591 5.405,592 4.086,593 3689.64,594 9.547,595 70418,600 490.261,601 1.301,602 5.371,603 0.125,604 0.006,605 0.073,606 0.047,607 0.043,608 0.024,609 0.016,610 0.01,611 0.009,612 0.006,613 0.358,614 0.17,615 0.63,616 0.571,617 250.372,618 -0.023,619 -0.086,620 0.025,621 0.002,622 -0.013,623 0.027,624 0.093,625 -0.135,626 0.048,627 -0.041,628 0.091,629 -0.022,630 0.044,631 -0.008,632 0.102,633 0.099,634 0.094,635 0.13,636 -0.014,637 0.068,638 -0.048,639 -0.008,640 -0.046,641 -0.012,642 -0.157,643 0.097,644 -0.103,645 -0.016,646 -0.135,647 -0.078,648 -0.121,649 -0.096,650 -0.09,651 -0.116,652 -0.087,653 -0.165,654 0.096,655 -0.128,657 -0.111,658 0.089,659 -0.107,660 -0.051,661 -0.049,662 -0.03,663 -0.026,664 -0.067,665 -0.022,666 1.847,667 6.489,668 0.721,669 50.912,670 0.995,671 1.118,672 5.416,673 29.336,674 0.697,675 3.892,676 4.22,677 4.554,678 4.875,679 5.159,680 5.273,681 5.412,682 5.501,683 5.545,684 5.46,685 9.506,686 0.653,687 612.65,688 3.892,689 5.442,690 6.315,691 7.21,692 8.107,693 9.013,694 9.921,695 10.833,696 11.745,697 12.661,698 6.4,703 1,705 1,706 1,708 2,714 2,715 12,716 2,720 10,721 1,722 28,729 1,734 1,740 2,741 78,743 29,744 3,745 48,747 83,748 35,749 24,750 6,751 12,752 1,756 6,757 9,758 2,763 1,767 4,770 7,772 25,773 10,777 1,782 1,786 1,793 35,794 5,795 2,796 8,797 2,799 1,802 5,808 0.667,809 1,822 1,828 1,829 5,833 2,859 4,864 1,865 2,868 43,876 9,877 2,892 2,893 1.3,896 1,901 21.167,902 14.302,903 9.556,904 5.269,907 4.342,908 1.49,909 1.021,910 9.324,911 13.205,912 4.159,913 4.785,914 5.438,915 6.076,916 6.663,917 7.02,918 7.427,919 7.797,920 8.12,921 8.198,922 0.9,923 74,924 15.956,926 6.838,927 0.026,929 7.579,931 31.102,933 26.158,936 2.079,937 89.389,941 388.446,942 183.399,943 71.492,944 78.297,945 25.145,948 183.399,949 491.889,950 71.492,951 8.825,952 39.964,953 113.715,954 83.759,955 31.016,956 2.757,957 388.446,958 78.297,959 388.446,960 254.891,961 25.145,962 78.297,964 341.362,965 72.229,968 60.674,969 142.635,970 129.879,972 388.446,973 96.637,974 261.696,977 388.446,978 60.859,979 124.439,980 36.022,981 137.013,982 388.446,983 96.637,984 261.696,986 0.574,987 0.349,988 0.204,989 0.12,990 32,991 14,992 0.12,993 10,994 2,995 1.129,996 5.189,997 451.133,998 0.129,999 31,1000 229.329,1005 29.684,1006 13.506,1007 6.308,1008 2.244,1009 94.737,1010 23.496,1011 9.794,1015 8.578,1016 2.01,1017 36.022,1018 746.779,1019 63,1024 13.489,1028 -0.181,1031 77.621,1032 87.232,1034 0.24,1035 0.582,1036 0.755,1037 0.887,1038 0.929,1039 0.937,1040 5.398,1041 1.913,1042 6.293,1043 6.322,1044 4.905,1045 5.474,1046 1.27,1047 7.144,1048 4.823,1049 6.607,1050 1.833,1051 7.871,1052 5.389,1053 4.443,1054 5.308,1056 8.145,1057 4.275,1058 7.925,1059 1.699,1060 9.556,1061 5.315,1062 6.521,1063 7.73,1064 1.27,1065 11.317,1066 6.364,1067 9.286,1068 1.522,1069 11.309,1070 3.713,1071 6.948,1072 8.448,1074 13.202,1075 6.717,1076 10.686,1077 1.414,1078 13.107,1079 3.349,1080 8.459,1081 10.319,1082 1.34,1083 15.894,1084 8.227,1085 12.112,1086 1.347,1087 14.935,1088 3.329,1089 9.301,1090 11.445,1092 18.129,1093 9.005,1094 13.56,1095 1.264,1096 16.785,1097 3.131,1098 10.595,1099 13.095,1100 1.423,1101 20.671,1102 10.282,1103 3.354,1104 1.247,1105 18.651,1106 3.058,1107 11.628,1108 14.416,1110 23.048,1111 11.26,1112 3.226,1113 12.262,1114 20.53,1115 2.902,1116 12.843,1117 15.975,1118 1.51,1119 25.544,1120 12.447,1121 2.809,1122 11.348,1123 22.419,1124 4.564,1125 13.961,1126 17.391,1128 27.981,1129 13.516,1130 2.645,1131 9.505,1132 24.316,1133 4.467,1134 15.151,1135 18.914,1136 1.599,1137 30.465,1138 14.671,1139 2.532,1140 8.453,1141 26.219,1142 3.769,1143 16.308,1144 20.376,1146 32.929,1147 15.78,1148 2.314,1149 8.37,1150 28.128,1151 3.583,1152 17.493,1153 21.885,1154 1.69,1155 35.413,1156 16.926,1157 2.181,1158 6.711,1159 30.042,1160 3.437,1161 18.668,1162 23.369,1164 37.89,1165 18.055,1166 32735,1167 51934,1168 32.709,1169 54.381,1170 71.827,1171 73.594,1172 74.564,1173 71.885,1174 71.46,1175 93.853,1176 2.917,1177 207.071,1178 68.33,1179 5.664,1180 5.648,1181 6.901,1182 5.352,1183 5.354,1184 7.564,1185 2.117,1186 19.85,1187 5.172,1188 18.298,1189 1.496,1190 1.533,1191 1.553,1192 1.498,1193 1.489,1194 1.955,1195 0.061,1196 4.314,1197 1.424,1198 4.132,1199 4.166,1200 4.134,1201 4.049,1202 7.429,1203 4.054,1204 4.077,1205 4.111,1206 4.063,1207 3.976,1208 5.03,1209 3.988,1210 3.851,1211 3.874,1212 3.966,1213 3.807,1214 4.965,1215 3.797,1216 3.764,1217 3.809,1218 3.82,1219 3.652,1220 4.918,1221 3.656,1222 3.733,1223 3.781,1224 3.619,1225 3.648,1226 4.732,1227 3.637,1228 3.679,1229 3.74,1230 3.551,1231 3.534,1232 4.413,1233 3.523,1234 3.423,1235 3.501,1236 3.35,1237 3.214,1238 4.335,1239 3.219,1240 3.319,1241 3.402,1242 3.291,1243 3.153,1244 4.275,1245 3.139,1246 0.098,1247 0.076,1248 0.147,1249 0.09,1250 0.07,1251 4.709,1252 0.095,1253 3.648,1254 0.022,1255 7.079,1256 0.255,1257 4.3,1258 0.066,1259 3.354,1260 4.564,1261 1.058,1262 12.262,1263 3.172,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.435,1269 2.163,1270 1.941,1271 1.916,1272 2.018,1273 2.038,1274 1.286,1275 2.037,1276 1.859,1277 1.837,1278 1.963,1279 1.941,1280 1.178,1281 1.951,1282 1.754,1283 1.709,1284 1.951,1285 1.906,1286 1.143,1287 1.925,1288 1.72,1289 1.663,1290 1.943,1291 1.872,1292 1.067,1293 1.901,1294 1.635,1295 1.581,1296 1.855,1297 1.793,1298 1.014,1299 1.814,1300 1.394,1301 1.33,1302 1.622,1303 1.651,1304 0.821,1305 1.649,1306 1.278,1307 1.228,1308 1.464,1309 1.47,1310 0.748,1311 1.466,1312 4.575,1314 5.9,1315 2.398,1316 7.434,1317 4.844,1318 9.07,1319 7.066,1320 10.763,1322 2.032,1323 12.769,1328 8.325,1329 6.832,1340 50.906,1341 117.602,1342 285.229,1343 370.222,1344 434.752,1345 455.506,1346 459.506,1347 76.807,1348 8.864,1349 71.84,1350 71.84,1351 35,1352 13.173,1353 4.907,1354 4,1355 64.1,1356 251,1357 199,1358 0.121,1359 315.792,1360 542.65,1361 762.292,1362 115873,1363 2.6,1364 29.761,1365 0.692,1366 0.6,1367 30.761,1368 25.81,1369 21.046,1370 0.438,1371 0.33,1372 15.052,1373 20.037,1374 14.666,1375 12.128,1376 21.623,1377 15.854,1378 18.444,1379 0.275,1380 0.175,1381 19.223,1382 11.746,1383 16.206,1384 0.172,1385 0.092,1386 16.853,1387 8.664,1388 14.023,1389 0.108,1390 0.049,1391 14.499,1392 6.323,1393 12.045,1394 0.07,1395 0.027,1396 12.493,1397 4.656,1398 0.195,1399 135.429,1400 0.175,1401 38.379,1402 0.316,1403 230,1404 577.743,1405 273.938,1406 632.744,1407 870.44,1408 594,1409 276,1410 616.601,1411 312.062,1412 645.529,1413 959.2,1414 614,1415 6.5}
{0 CHEMBL571730,1 1.629,2 15.42,3 9.896,4 97.937,5 202.816,6 8.248,7 0.518,8 4.572,9 4.68,10 4.318,11 4.212,12 5.6,13 4.159,14 5.128,15 5.282,16 4.661,17 4.626,18 6.267,19 4.55,20 5.426,21 5.637,22 4.752,23 4.762,24 6.431,25 4.661,26 5.448,27 5.66,28 4.725,29 4.728,30 6.512,31 4.638,32 5.487,33 5.704,34 4.759,35 4.783,36 6.487,37 4.684,38 5.569,39 5.784,40 4.791,41 4.844,42 6.604,43 4.734,44 5.612,45 5.848,46 4.742,47 4.874,48 6.544,49 4.732,50 5.622,51 5.862,52 4.761,53 4.866,54 6.587,55 4.715,56 0.107,57 1.28,58 18.487,59 8.221,60 18.064,61 10.246,62 0.38,63 2.14,64 33.31,65 14.399,66 62.642,67 18.521,68 0.44,69 2.779,70 57.411,71 19.992,72 69.32,73 25.872,74 0.74,75 2.908,76 57.13,77 18.682,78 95.045,79 23.857,80 0.66,81 3.041,82 60.14,83 20.163,84 84.662,85 25.315,86 0.76,87 3.146,88 63.536,89 22.542,90 115.802,91 28.697,92 0.647,93 3.267,94 68.687,95 24.739,96 90.102,97 31.987,98 0.634,99 3.229,100 76.169,101 26.607,102 104.572,103 33.843,104 17,105 79,106 0.239,107 0.545,108 0.706,109 0.839,110 0.871,111 0.875,112 3.935,113 1.031,114 -7.19,115 -6.98,116 -6.45,121 44.3,123 6,124 1,127 3,144 17,145 4,146 4,148 2,159 1,161 1,168 1,176 22,179 2,180 8,183 4,185 3,187 28,191 1,192 14,195 1,197 5,200 22,205 4,206 16,209 1,211 8,214 16,218 2,219 14,222 1,224 5,227 20,232 21,237 5,239 23,244 16,247 1,248 1,249 4,251 22,256 13,259 1,261 1,264 22,268 1,269 16,272 2,274 4,277 24,281 7038,282 34.23,283 34.23,284 34.23,285 34.23,286 34.23,287 29.997,288 32.596,289 20.417,290 34.938,291 27.722,292 27.722,293 27.722,294 27.722,295 27.722,296 21.312,297 34.874,298 9.776,299 29.03,300 4.83,301 2.746,302 1.649,303 0.746,304 0.523,305 0.5,306 4.653,308 2,313 1714,314 4.743,317 152.611,318 978.302,322 490.619,325 2.01,326 49.965,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.5,335 0.5,336 0.49,337 105.667,338 771,339 4.859,340 4.687,341 7.312,342 4.321,343 3.402,344 4.705,345 1.233,346 12.532,347 3.162,348 4.64,349 3.601,350 6.829,351 4.207,352 3.226,353 4.564,354 1.037,355 11.348,356 3.143,357 4.446,358 3.361,359 6.745,360 4.164,361 3.189,362 3.916,363 0.4,364 11.071,365 3.068,366 3.986,367 3.117,368 6.065,369 3.59,370 2.657,371 3.526,372 0.268,373 8.743,374 2.519,375 3.939,376 2.923,377 5.982,378 3.545,379 2.569,380 3.437,382 8.37,383 2.512,384 3.914,385 2.896,386 5.772,387 3.524,388 2.532,389 3.412,391 7.837,392 2.462,393 3.819,394 2.669,395 5.381,396 3.298,397 2.387,398 3.263,400 6.711,401 2.143,402 3.638,403 2.594,404 5.15,405 3.143,406 2.229,407 2.994,409 6.321,410 2.078,411 3.522,412 2.356,413 5.053,414 3.132,415 2.181,416 2.893,418 6.068,419 1.985,420 3.169,421 2.076,422 4.787,423 2.798,424 1.84,425 2.368,427 5.065,428 1.741,429 3.064,430 1.866,431 4.618,432 2.699,433 1.723,434 2.266,436 4.571,437 1.655,438 2.94,439 1.78,440 4.2,441 2.546,442 1.598,443 2.142,445 3.787,446 1.506,447 2.899,448 1.7,449 4.116,450 2.514,451 1.527,452 1.995,454 3.476,455 1.453,456 2.755,457 1.561,458 3.965,459 2.382,460 1.419,461 1.773,463 3.329,464 1.348,465 2.591,466 1.48,467 3.911,468 2.345,469 1.347,470 1.613,472 3.21,473 1.343,474 24.829,475 0.497,476 1.163,477 0.023,478 66,479 1.32,480 34.5,481 0.69,482 31.5,483 0.63,484 53.66,485 1.073,486 51.971,487 0.591,488 59.253,489 1.185,490 12.355,491 0.247,492 11.999,493 0.24,494 0.084,495 0.034,496 0.278,501 0.542,502 1.18,503 0.667,504 1.015,505 0.63,506 0.88,507 0.612,508 1.123,509 0.749,510 0.967,511 0.542,512 0.977,513 0.95,514 1.123,515 0.909,516 0.996,517 0.827,518 0.946,519 1.182,520 1.144,521 0.954,522 0.973,523 1.083,524 0.975,525 1.105,526 1.068,527 0.815,528 0.929,529 1.012,530 0.941,531 1.043,532 1.117,533 0.846,534 1.021,535 1.119,536 1.035,537 0.977,538 1.003,539 0.887,540 0.976,541 0.998,542 1.023,543 0.913,544 1.021,545 0.947,546 1.077,547 0.978,548 1.009,549 9,550 0.382,551 6,552 3.222,553 3.266,554 2.001,555 1.036,556 0.851,557 0.799,558 0.464,559 51207,560 134845,561 2.149,562 43.2,563 6,564 23,567 2,568 3,569 4,572 1.857,573 2.048,574 3.853,575 0.067,582 143.368,583 1.629,584 3.713,585 4.811,586 5.714,587 5.937,588 5.959,589 3.141,590 4.749,591 5.619,592 4.105,593 5028.14,594 10.025,595 105456,600 568.43,601 1.346,602 5.588,603 0.161,604 0.005,605 0.076,606 0.039,607 0.04,608 0.024,609 0.012,610 0.011,611 0.01,612 0.006,613 0.385,614 0.17,615 0.5,616 0.404,617 301.211,618 0.1,619 -0.041,620 0.103,621 -0.026,622 -0.095,623 0.033,624 0.214,625 -0.032,626 0.016,627 -0.037,628 0.233,629 -0.057,630 -0.014,631 -0.081,632 0.019,633 -0.024,634 0.022,635 0.018,636 -0.025,637 -0.039,638 -0.075,639 -0.047,640 -0.004,641 -0.061,642 -0.073,643 0.039,644 -0.014,645 0.017,646 -0.026,647 -0.017,648 0.009,649 -0.081,650 -0.022,651 -0.079,652 0.016,653 -0.086,654 -0.055,655 0.011,656 -0.019,657 -0.005,658 -0.073,659 -0.043,660 0.024,661 -0.033,662 0.025,663 -0.03,664 0.042,665 0.003,666 4.899,667 6.628,668 0.74,669 65.97,670 1,671 1.117,672 5.956,673 35.473,674 0.707,675 4.043,676 4.382,677 4.673,678 4.963,679 5.247,680 5.357,681 5.489,682 5.638,683 5.746,684 5.737,685 9.769,686 0.663,687 725.8,688 4.043,689 5.602,690 6.463,691 7.353,692 8.236,693 9.134,694 10.026,695 10.929,696 11.826,697 12.732,698 6.8,700 1,701 1,703 1,707 2,708 1,714 2,715 17,716 1,720 8,722 29,734 1,740 2,741 88,743 33,744 4,745 56,747 94,748 39,749 27,750 7,751 17,752 1,756 7,757 10,758 2,759 1,760 1,767 4,768 1,770 6,772 29,773 10,774 1,777 4,780 1,782 2,785 2,786 2,793 38,794 8,795 2,796 11,797 3,802 6,808 0.714,809 2,822 1,828 1,829 6,833 2,859 5,862 1,865 2,868 50,872 1,876 9,877 2,880 1,881 1,892 2,893 2.3,896 2,901 24.417,902 15.586,903 10.847,904 5.568,907 4.273,908 1.472,909 1.025,910 10.719,911 13.321,912 4.324,913 4.949,914 5.512,915 6.087,916 6.648,917 6.914,918 7.242,919 7.573,920 7.904,921 7.984,922 0.9,923 83,924 18.876,926 8.464,927 0.026,929 7.659,931 36.021,933 30.699,936 2.159,937 107.972,941 423.76,942 221.423,943 87.652,944 78.297,945 44.313,947 5.807,948 215.616,949 546.37,950 87.652,952 21.524,953 183.309,954 81.866,955 64.79,956 1.899,957 423.76,958 78.297,959 423.76,960 303.267,961 44.313,962 84.105,964 376.675,965 91.397,968 79.281,969 189.19,970 118.901,972 423.76,973 131.965,974 299.72,976 5.807,977 423.76,978 54.519,979 164.098,980 34.416,981 172.844,982 423.76,983 131.965,984 299.72,986 0.581,987 0.338,988 0.187,989 0.111,990 38,991 16,992 0.128,993 12,994 2,995 1.108,996 5.69,997 560.883,998 0.108,999 37,1000 268.193,1004 1,1005 34.511,1006 15.529,1007 8.027,1008 2.178,1009 131.965,1010 32.021,1011 4.958,1015 6.883,1017 34.416,1018 855.445,1019 74.5,1022 -3.983,1024 27.256,1027 9.802,1028 0.982,1031 88.01,1032 98.275,1034 0.252,1035 0.575,1036 0.745,1037 0.885,1038 0.919,1039 0.923,1040 5.573,1041 2.229,1042 6.457,1043 6.711,1044 5.069,1045 5.638,1046 1.836,1047 7.302,1048 4.98,1049 6.793,1050 2.181,1051 8.035,1052 6.321,1053 4.691,1054 5.551,1055 0.623,1056 8.396,1057 4.494,1058 8.125,1059 1.84,1060 9.726,1061 6.068,1062 6.713,1063 7.905,1064 1.885,1065 11.493,1066 6.535,1067 9.499,1068 1.723,1069 11.489,1070 5.065,1071 7.201,1072 8.679,1073 1.104,1074 13.454,1075 6.923,1076 10.911,1077 1.598,1078 13.3,1079 4.571,1080 8.688,1081 10.517,1082 2.051,1083 16.113,1084 8.414,1085 12.35,1086 1.527,1087 15.145,1088 3.787,1089 9.567,1090 11.684,1091 1.527,1092 18.397,1093 9.207,1094 13.812,1095 1.419,1096 17.013,1097 3.476,1098 10.855,1099 13.327,1100 2.271,1101 20.929,1102 10.479,1103 3.402,1104 1.347,1105 18.901,1106 3.329,1107 11.91,1108 14.684,1109 1.936,1110 23.337,1111 11.461,1112 3.226,1113 12.532,1114 20.802,1115 3.21,1116 13.128,1117 16.251,1118 2.533,1119 25.835,1120 12.645,1121 3.189,1122 11.348,1123 22.714,1124 4.705,1125 14.26,1126 17.699,1127 2.343,1128 28.293,1129 13.713,1130 2.657,1131 11.071,1132 24.636,1133 4.564,1134 15.457,1135 19.239,1136 2.831,1137 30.785,1138 14.865,1139 2.569,1140 8.743,1141 26.565,1142 3.916,1143 16.624,1144 20.731,1145 2.752,1146 33.265,1147 15.972,1148 2.532,1149 8.37,1150 28.5,1151 3.526,1152 17.817,1153 22.263,1154 3.159,1155 35.76,1156 17.113,1157 2.387,1158 7.837,1159 30.441,1160 3.437,1161 19,1162 23.776,1163 3.162,1164 38.252,1165 18.237,1166 46756,1167 76317,1168 38.254,1169 62.25,1170 84.398,1171 85.99,1172 85.696,1173 84.446,1174 83.962,1175 110.696,1176 5.875,1177 243.807,1178 80.167,1179 5.811,1180 6.687,1181 7.131,1182 5.397,1183 5.402,1184 7.705,1185 2.269,1186 20.063,1187 5.162,1188 20.235,1189 1.507,1190 1.536,1191 1.53,1192 1.508,1193 1.499,1194 1.977,1195 0.105,1196 4.354,1197 1.432,1198 4.134,1199 4.16,1200 4.737,1201 4.08,1202 7.717,1203 4.056,1204 4.072,1205 4.081,1206 4.082,1207 4.03,1208 6.999,1209 3.981,1210 3.999,1211 4.005,1212 4.023,1213 3.941,1214 4.996,1215 3.927,1216 3.852,1217 3.878,1218 3.925,1219 3.805,1220 4.953,1221 3.795,1222 3.742,1223 3.801,1224 3.872,1225 3.651,1226 4.923,1227 3.637,1228 3.732,1229 3.781,1230 3.653,1231 3.604,1232 4.808,1233 3.588,1234 3.645,1235 3.698,1236 3.618,1237 3.532,1238 4.693,1239 3.488,1240 3.575,1241 3.58,1242 3.526,1243 3.447,1244 4.47,1245 3.433,1246 0.087,1247 0.084,1248 0.131,1249 0.077,1250 0.061,1251 4.859,1252 0.084,1253 4.687,1254 0.022,1255 7.312,1256 0.224,1257 4.321,1258 0.056,1259 3.402,1260 4.705,1261 1.233,1262 12.532,1263 3.162,1264 2.072,1265 2.046,1266 2.159,1267 2.163,1268 1.435,1269 2.163,1270 1.952,1271 1.962,1272 2.057,1273 2.021,1274 1.28,1275 2.056,1276 1.949,1277 1.926,1278 1.964,1279 2.017,1280 1.26,1281 2.034,1282 1.863,1283 1.839,1284 1.957,1285 1.938,1286 1.155,1287 1.953,1288 1.754,1289 1.709,1290 1.951,1291 1.897,1292 1.142,1293 1.918,1294 1.71,1295 1.644,1296 1.941,1297 1.872,1298 1.058,1299 1.9,1300 1.524,1301 1.511,1302 1.661,1303 1.743,1304 0.882,1305 1.741,1306 1.394,1307 1.359,1308 1.582,1309 1.538,1310 0.801,1311 1.573,1312 4.727,1314 6.061,1315 2.398,1316 7.593,1317 4.727,1318 9.217,1319 6.862,1320 10.892,1323 12.276,1328 7.576,1329 6.472,1332 -0.118,1333 1.669,1340 58.356,1341 143.368,1342 326.746,1343 423.333,1344 502.82,1345 522.43,1346 524.43,1347 101.891,1348 9.048,1349 99.05,1350 107.43,1351 41,1352 13.252,1353 5.087,1354 4.285,1355 72.574,1356 280,1357 272,1358 0.114,1359 362.835,1360 632.51,1361 877.076,1362 135928,1363 2.3,1364 34.503,1365 0.69,1366 0.597,1367 35.753,1368 29.854,1369 24.353,1370 0.435,1371 0.344,1372 17.052,1373 22.462,1374 16.534,1375 13.626,1376 25.752,1377 19.236,1378 22.195,1379 0.281,1380 0.191,1381 24.312,1382 15.128,1383 18.701,1384 0.176,1385 0.104,1386 20.369,1387 11.016,1388 15.739,1389 0.111,1390 0.056,1391 17.102,1392 7.906,1393 13.488,1394 0.071,1395 0.032,1396 14.909,1397 6.012,1398 0.181,1399 164.362,1400 0.162,1401 42.855,1402 0.307,1403 270,1404 709.984,1405 354.077,1406 782.452,1407 1066.88,1408 728,1409 320,1410 730.615,1411 403.292,1412 797.769,1413 1170.64,1414 754,1415 5.6}
{0 CHEMBL572453,1 1.521,2 22.674,3 4.668,4 21.79,5 184.67,6 6.785,7 0.133,8 4.576,9 4.707,10 4.141,11 4.118,12 5.539,13 4.028,14 5.158,15 5.364,16 4.367,17 4.49,18 6.049,19 4.361,20 5.439,21 5.693,22 4.357,23 4.598,24 6.311,25 4.44,26 5.465,27 5.722,28 4.303,29 4.59,30 6.331,31 4.427,32 5.502,33 5.771,34 4.273,35 4.608,36 6.364,37 4.429,38 5.51,39 5.784,40 4.221,41 4.572,42 6.345,43 4.394,44 5.431,45 5.699,46 4.219,47 4.498,48 6.302,49 4.331,50 5.365,51 5.636,52 4.187,53 4.433,54 6.247,55 4.271,56 0.092,57 1.324,58 26.368,59 10.174,60 12.264,61 13.016,62 0.351,63 2.112,64 45.145,65 16.109,66 35.012,67 21.839,68 0.609,69 2.523,70 62.244,71 20.32,72 68.671,73 27.813,74 0.739,75 2.508,76 60.125,77 20.147,78 73.43,79 28.154,80 0.66,81 2.557,82 62.179,83 21.482,84 87.949,85 29.877,86 0.686,87 2.518,88 63.382,89 20.576,90 82.205,91 28.789,92 0.737,93 2.348,94 58.879,95 18.607,96 77.564,97 26.374,98 0.671,99 2.191,100 54.482,101 17.395,102 71.123,103 24.87,104 30,105 56,106 0.228,107 0.512,108 0.754,109 0.87,110 0.892,111 0.902,112 3.787,113 1.215,114 -4.04,115 -3.99,116 -3.78,121 35.5,122 1,123 10,126 1,127 7,129 1,137 2,140 2,144 4,145 1,146 1,158 2,160 1,176 10,180 9,183 1,185 5,187 9,191 1,192 6,196 1,197 5,200 6,205 2,206 5,209 2,211 3,214 7,219 4,222 2,224 4,227 8,232 7,237 2,239 9,243 1,244 6,248 1,249 3,251 8,255 1,256 4,259 1,261 1,264 6,269 5,272 2,274 2,277 7,281 5257,282 29.449,283 29.449,284 29.449,285 29.449,286 29.449,287 27.762,288 36.444,289 18.366,290 30.189,291 22.131,292 22.131,293 22.131,294 22.131,295 22.131,296 19.41,297 45.058,298 8.638,299 23.114,300 5.018,301 3.115,302 1.498,303 0.721,304 0.575,305 0.511,306 4.471,312 1,313 2031,314 5.339,317 172.293,318 381.391,325 3.976,326 41.127,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.5,335 0.5,336 0.71,337 92,338 975,339 4.381,340 4.08,341 6.25,342 3.974,343 2.988,344 3.846,345 1.907,346 9.366,347 2.947,348 4.206,349 3.581,350 6.159,351 3.84,352 2.875,353 3.805,354 0.916,355 9.118,356 2.772,357 3.773,358 3.574,359 5.741,360 3.468,361 2.545,362 3.014,363 0.86,364 7.583,365 2.398,366 3.661,367 3.354,368 5.353,369 3.395,370 2.428,371 2.829,372 0.6,373 6.998,374 2.341,375 3.538,376 3.188,377 5.284,378 3.377,379 2.376,380 2.54,381 0.4,382 6.713,383 2.296,384 3.428,385 2.889,386 5.034,387 3.297,388 2.37,389 2.468,390 0.172,391 6.09,392 2.19,393 3.263,394 2.73,395 4.559,396 2.851,397 1.861,398 2.381,399 0.149,400 4.719,401 1.841,402 2.917,403 2.43,404 4.315,405 2.726,406 1.737,407 2.088,409 4.035,410 1.706,411 2.875,412 1.975,413 3.919,414 2.557,415 1.594,416 1.952,418 3.742,419 1.53,420 2.839,421 1.947,422 3.786,423 2.514,424 1.554,425 1.866,427 3.313,428 1.487,429 2.689,430 1.806,431 3.677,432 2.461,433 1.495,434 1.642,436 3.185,437 1.437,438 2.576,439 1.663,440 3.622,441 2.41,442 1.424,443 1.565,445 3.021,446 1.397,447 2.433,448 1.539,449 3.529,450 2.318,451 1.34,452 1.41,454 2.859,455 1.307,456 2.211,457 1.492,458 3.362,459 2.039,460 1.123,461 1.142,463 2.413,464 1.009,465 2.134,466 1.378,467 3.23,468 1.91,469 0.951,470 1.056,472 2.097,473 0.9,474 21.1,475 0.491,476 0.677,477 0.016,478 40,479 0.93,480 14,481 0.326,482 26,483 0.605,484 54.13,485 1.259,486 50.3,487 0.541,488 29.709,489 0.691,490 6.529,491 0.152,492 14.466,493 0.336,494 0.095,496 0.209,501 0.811,502 1.365,503 0.79,504 1.073,505 0.655,506 1.119,507 0.912,508 1.207,509 1.026,510 1.097,511 0.579,512 1.101,513 0.948,514 1.081,515 1.076,516 1.073,517 0.843,518 1.013,519 1.022,520 0.996,521 0.941,522 0.956,523 0.997,524 1.031,525 0.892,526 1.019,527 0.891,528 0.969,529 0.994,530 1.029,531 1.234,532 0.953,533 0.939,534 0.892,535 1.273,536 0.973,537 1.21,538 0.971,539 0.898,540 0.903,541 1.279,542 0.991,543 1.07,544 0.981,545 0.806,546 0.876,547 1.278,548 0.954,549 6.5,550 0.218,551 3.556,552 1.972,553 1.832,554 0.774,555 0.665,556 0.43,557 0.321,558 0.267,559 43044,560 103006,561 2.009,562 53.8,563 8,564 24,567 3,568 2,569 9,570 4,572 1.808,573 1.911,574 4.394,575 0.71,582 141.484,583 1.521,584 3.424,585 5.041,586 5.819,587 5.964,588 6.028,589 3.842,590 5.194,591 5.393,592 4.68,593 4225.67,594 9.489,595 94917.5,600 608.142,601 1.216,602 5.372,603 0.144,604 0.005,605 0.063,606 0.035,607 0.035,608 0.015,609 0.014,610 0.01,611 0.007,612 0.006,613 0.336,614 0.33,615 0.63,616 0.693,617 263.155,618 -0.021,619 -0.088,620 0.154,621 0.061,622 -0.008,623 0.013,624 -0.03,625 -0.055,626 -0.033,627 -0.041,628 0.057,629 -0.055,630 0.005,631 -0.042,632 -0.061,633 -0.067,634 0.051,635 -0.018,636 0.012,638 -0.061,639 -0.044,640 -0.016,641 -0.059,642 0.028,643 -0.06,644 -0.03,645 -0.054,646 0.025,647 -0.049,648 -0.128,649 -0.005,650 -0.059,651 -0.003,652 -0.126,653 -0.021,654 -0.061,655 -0.013,656 -0.029,657 -0.023,658 -0.103,659 -0.042,660 0.015,661 -0.033,662 0.038,663 -0.006,664 -0.065,665 -0.002,666 1.853,667 5.588,668 0.395,669 86.971,670 0.991,671 1.131,672 2.809,673 7.889,674 0.641,675 3.829,676 4.043,677 4.22,678 4.357,679 4.443,680 4.382,681 4.357,682 4.357,683 4.369,684 4.407,685 13.295,686 0.585,687 631.01,688 3.829,689 5.313,690 6.107,691 6.923,692 7.732,693 8.553,694 9.371,695 10.195,696 11.017,697 11.845,698 4.3,700 1,701 1,705 1,707 1,715 4,720 2,722 6,739 1,741 93,743 11,744 1,745 45,747 95,748 33,749 6,750 2,751 4,752 6,756 3,757 3,763 1,767 2,770 11,772 13,773 20,777 5,782 2,784 2,785 1,786 5,793 50,794 8,795 3,796 10,797 2,802 4,808 1,809 4,828 1,829 2,839 1,841 1,843 1,849 4,853 1,855 1,857 1,859 3,861 1,862 2,864 2,868 43,875 1,876 17,877 2,878 1,879 2,880 1,881 1,893 4.3,895 1,896 2,898 1,901 22.5,902 16.517,903 10.083,904 6.188,907 2.164,908 1.28,909 0.919,910 17.486,911 9.897,912 3.989,913 4.376,914 4.769,915 5.117,916 5.471,917 5.464,918 5.508,919 5.569,920 5.644,921 5.769,922 0.933,923 56,924 16.06,926 6.515,927 0.026,929 7.632,931 31.551,933 25.321,936 2.132,937 91.667,941 553.242,942 199.589,943 55.931,945 103.973,947 60.363,948 139.226,949 657.215,950 55.931,951 19.708,952 56.89,953 74.868,954 108.325,955 39.339,957 613.605,959 553.242,960 195.157,961 103.973,962 60.363,964 400.217,965 256.997,968 103.636,969 69.812,970 21.709,971 60.363,972 553.242,973 159.904,974 199.589,977 553.242,978 123.023,979 79.69,980 36.022,981 120.759,982 553.242,983 159.904,984 199.589,986 0.551,987 0.315,988 0.163,989 0.081,990 18,991 9,992 0.221,993 21,995 1,996 5.67,997 362.451,999 17,1000 233.329,1001 2,1005 35.71,1006 21.056,1007 13.821,1009 159.904,1010 8.041,1015 2.039,1017 78.705,1018 912.735,1019 53,1024 24.605,1026 2.905,1027 4.459,1028 0.781,1031 92.192,1032 105.22,1034 0.233,1035 0.524,1036 0.771,1037 0.89,1038 0.912,1039 0.922,1040 5.196,1041 1.737,1042 6.023,1043 4.719,1044 4.727,1045 5.063,1046 2.404,1047 6.706,1048 4.65,1049 6.307,1050 1.594,1051 7.502,1052 4.035,1053 4.007,1054 4.605,1055 1.668,1056 7.368,1057 3.905,1058 7.551,1059 1.554,1060 9.082,1061 3.742,1062 6.192,1063 6.987,1064 3.026,1065 10.426,1066 6.048,1067 8.832,1068 1.495,1069 10.727,1070 3.313,1071 6.365,1072 7.428,1073 3.055,1074 11.97,1075 6.191,1076 10.151,1077 1.424,1078 12.415,1079 3.185,1080 7.918,1081 9.249,1082 4.066,1083 14.5,1084 7.718,1085 11.495,1086 1.34,1087 14.133,1088 3.021,1089 8.528,1090 10.118,1091 4.415,1092 16.406,1093 8.301,1094 12.86,1095 1.123,1096 15.872,1097 2.859,1098 9.807,1099 11.704,1100 5.257,1101 18.75,1102 9.561,1103 2.988,1104 0.951,1105 17.627,1106 2.413,1107 10.641,1108 12.792,1109 5.751,1110 20.819,1111 10.373,1112 2.875,1113 9.366,1114 19.393,1115 2.097,1116 11.797,1117 14.265,1118 6.503,1119 23.091,1120 11.513,1121 2.545,1122 9.118,1123 21.168,1124 3.846,1125 12.746,1126 15.467,1127 7.069,1128 25.237,1129 12.444,1130 2.428,1131 7.583,1132 22.95,1133 3.805,1134 13.849,1135 16.882,1136 7.771,1137 27.48,1138 13.532,1139 2.376,1140 6.998,1141 24.738,1142 3.014,1143 14.857,1144 18.146,1145 8.375,1146 29.664,1147 14.525,1148 2.37,1149 6.713,1150 26.531,1151 2.829,1152 15.939,1153 19.53,1154 9.051,1155 31.896,1156 15.594,1157 1.861,1158 6.09,1159 28.328,1160 2.54,1161 16.978,1162 20.827,1163 9.674,1164 34.1,1165 16.619,1166 41732,1167 64761,1168 29.989,1169 59.648,1170 63.476,1171 68.035,1172 64.978,1173 63.038,1174 63.047,1175 73.363,1176 10.01,1177 161.982,1178 60.507,1179 5.374,1180 6.08,1181 6.14,1182 5.017,1183 4.988,1184 6.846,1185 3.306,1186 16.052,1187 4.947,1188 21.461,1189 1.411,1190 1.512,1191 1.444,1192 1.401,1193 1.401,1194 1.63,1195 0.222,1196 3.6,1197 1.345,1198 3.973,1199 4.012,1200 4.233,1201 3.876,1202 7.431,1203 3.874,1204 3.905,1205 3.932,1206 3.905,1207 3.805,1208 7.426,1209 3.809,1210 3.827,1211 3.874,1212 3.855,1213 3.779,1214 6.469,1215 3.709,1216 3.746,1217 3.805,1218 3.667,1219 3.626,1220 4.862,1221 3.605,1222 3.686,1223 3.751,1224 3.562,1225 3.526,1226 4.619,1227 3.516,1228 3.632,1229 3.683,1230 3.526,1231 3.507,1232 4.392,1233 3.483,1234 3.487,1235 3.566,1236 3.362,1237 3.314,1238 4.353,1239 3.302,1240 3.422,1241 3.501,1242 3.278,1243 3.254,1244 4.256,1245 3.237,1246 0.097,1247 0.091,1248 0.139,1249 0.088,1250 0.066,1251 4.381,1252 0.085,1253 4.08,1254 0.042,1255 6.25,1256 0.208,1257 3.974,1258 0.065,1259 2.988,1260 3.846,1261 1.907,1262 9.366,1263 2.947,1264 1.913,1265 1.887,1266 2.039,1267 2.034,1268 1.382,1269 2.037,1270 1.852,1271 1.826,1272 2.029,1273 2.002,1274 1.365,1275 2.004,1276 1.785,1277 1.73,1278 1.992,1279 1.957,1280 1.281,1281 1.967,1282 1.742,1283 1.683,1284 1.941,1285 1.9,1286 1.141,1287 1.929,1288 1.665,1289 1.598,1290 1.877,1291 1.856,1292 1.125,1293 1.87,1294 1.565,1295 1.508,1296 1.798,1297 1.765,1298 1.081,1299 1.781,1300 1.474,1301 1.397,1302 1.763,1303 1.68,1304 0.978,1305 1.713,1306 1.431,1307 1.354,1308 1.72,1309 1.631,1310 0.922,1311 1.669,1312 4.511,1314 5.753,1315 2.398,1316 7.168,1317 4.443,1318 8.672,1319 6.26,1320 10.228,1322 3.819,1327 10.445,1328 15.788,1329 6.22,1330 5.467,1331 3.984,1332 0.79,1333 2.324,1340 54.435,1341 141.484,1342 318.443,1343 468.818,1344 541.122,1345 554.632,1346 560.632,1347 134.693,1348 7.734,1349 103.26,1350 153.86,1351 17,1352 12.421,1353 3.585,1354 3.17,1355 99.397,1356 343,1357 338,1358 0.131,1359 347.142,1360 626.54,1361 838.787,1362 34636,1364 30.702,1365 0.714,1366 0.641,1367 31.409,1368 27.578,1369 20.995,1370 0.467,1371 0.405,1372 15.824,1373 19.399,1374 15.284,1375 12.721,1376 22.074,1377 18.226,1378 17.192,1379 0.307,1380 0.247,1381 18.46,1382 13.806,1383 13.756,1384 0.205,1385 0.159,1386 15.14,1387 10.681,1388 10.474,1389 0.136,1390 0.106,1391 11.881,1392 8.132,1393 7.662,1394 0.091,1395 0.055,1396 8.274,1397 4.586,1398 0.225,1399 140.332,1400 0.183,1401 40.53,1402 0.316,1403 202,1404 553.033,1405 259.768,1406 567.118,1407 752.41,1408 532,1409 224,1410 490.029,1411 280.513,1412 524.199,1413 750.15,1414 493,1415 6.796}
{0 CHEMBL572480,1 1.483,2 24.826,3 6.16,4 37.951,5 198.516,6 6.599,7 0.125,8 4.661,9 4.795,10 4.196,11 4.201,12 5.599,13 4.106,14 5.251,15 5.461,16 4.417,17 4.576,18 6.112,19 4.439,20 5.541,21 5.804,22 4.408,23 4.688,24 6.376,25 4.519,26 5.565,27 5.831,28 4.357,29 4.679,30 6.393,31 4.507,32 5.601,33 5.878,34 4.327,35 4.695,36 6.428,37 4.509,38 5.599,39 5.875,40 4.277,41 4.672,42 6.396,43 4.485,44 5.551,45 5.826,46 4.263,47 4.62,48 6.367,49 4.435,50 5.503,51 5.785,52 4.202,53 4.549,54 6.311,55 4.361,56 0.11,57 1.44,58 29.018,59 11.201,60 12.774,61 14.552,62 0.376,63 2.3,64 49.472,65 17.809,66 35.781,67 24.41,68 0.643,69 2.757,70 67.735,71 22.456,72 69.79,73 31.094,74 0.744,75 2.741,76 65.652,77 22.173,78 72.823,79 31.368,80 0.719,81 2.794,82 67.78,83 23.365,84 88.679,85 32.876,86 0.694,87 2.739,88 68.016,89 22.843,90 76.835,91 32.065,92 0.732,93 2.614,94 65.121,95 21.587,96 73.717,97 30.525,98 0.615,99 2.455,100 61.415,101 20.311,102 69.692,103 29.045,104 30,105 59,106 0.218,107 0.482,108 0.715,109 0.843,110 0.887,111 0.903,112 3.852,113 1.233,114 -4.58,115 -4.5,116 -4.24,121 35.3,122 1,123 13,126 1,127 7,129 1,137 2,140 2,144 4,145 1,146 1,158 2,160 1,176 13,180 9,183 1,185 5,187 11,191 1,192 8,196 1,197 5,200 7,205 1,206 7,209 2,211 3,214 7,219 6,222 2,224 4,227 11,232 5,237 2,239 14,243 1,244 6,248 1,249 4,251 15,256 4,261 3,264 9,269 6,272 1,274 4,277 7,281 6462,282 31.57,283 31.57,284 31.57,285 31.57,286 31.57,287 29.883,288 36.444,289 19.866,290 32.31,291 23.631,292 23.631,293 23.631,294 23.631,295 23.631,296 20.91,297 42.558,298 9.388,299 24.614,300 5.19,301 3.388,302 1.803,303 0.931,304 0.637,305 0.525,306 4.538,312 1,313 2371,314 5.612,317 186.956,318 417.908,325 4.58,326 41.736,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.5,335 0.5,336 0.71,337 98,338 1142,339 4.381,340 4.08,341 6.25,342 3.974,343 2.988,344 3.846,345 1.907,346 9.366,347 2.947,348 4.206,349 3.581,350 6.159,351 3.84,352 2.875,353 3.805,354 0.916,355 9.118,356 2.773,357 3.773,358 3.574,359 5.741,360 3.468,361 2.545,362 3.014,363 0.86,364 7.583,365 2.398,366 3.661,367 3.354,368 5.353,369 3.393,370 2.422,371 2.829,372 0.6,373 6.998,374 2.34,375 3.538,376 3.188,377 5.284,378 3.377,379 2.38,380 2.54,381 0.4,382 6.713,383 2.296,384 3.43,385 2.889,386 5.034,387 3.304,388 2.376,389 2.467,390 0.172,391 6.09,392 2.197,393 3.266,394 2.729,395 4.559,396 2.851,397 1.862,398 2.385,399 0.149,400 4.72,401 1.841,402 2.917,403 2.437,404 4.316,405 2.823,406 1.83,407 2.088,409 4.043,410 1.81,411 2.888,412 1.976,413 3.935,414 2.68,415 1.696,416 1.96,418 3.759,419 1.663,420 2.854,421 1.958,422 3.847,423 2.541,424 1.571,425 1.876,427 3.62,428 1.516,429 2.788,430 1.827,431 3.718,432 2.492,433 1.543,434 1.793,436 3.264,437 1.457,438 2.611,439 1.74,440 3.653,441 2.439,442 1.454,443 1.592,445 3.066,446 1.43,447 2.563,448 1.662,449 3.618,450 2.399,451 1.416,452 1.523,454 3.01,455 1.383,456 2.41,457 1.515,458 3.47,459 2.256,460 1.281,461 1.361,463 2.721,464 1.246,465 2.158,466 1.478,467 3.324,468 2.038,469 1.121,470 1.135,472 2.399,473 1.009,474 22.6,475 0.491,476 0.677,477 0.015,478 41.5,479 0.902,480 14,481 0.304,482 27.5,483 0.598,484 60.394,485 1.313,486 54.2,487 0.531,488 30.079,489 0.654,490 6.529,491 0.142,492 15.966,493 0.347,494 0.088,496 0.195,501 0.811,502 1.375,503 0.82,504 1.102,505 0.654,506 1.146,507 0.904,508 1.228,509 1.042,510 1.124,511 0.574,512 1.132,513 0.925,514 1.07,515 1.056,516 1.061,517 0.822,518 1.007,519 1.012,520 1.021,521 0.932,522 0.96,523 0.977,524 1.025,525 0.915,526 0.98,527 0.895,528 0.942,529 0.988,530 1.004,531 1.206,532 0.948,533 0.948,534 0.912,535 1.248,536 0.993,537 1.153,538 0.945,539 0.903,540 0.925,541 1.23,542 1.015,543 1.08,544 1.002,545 0.82,546 0.907,547 1.297,548 0.983,549 6.5,550 0.181,551 3.556,552 1.972,553 1.832,554 0.83,555 0.665,556 0.43,557 0.284,558 0.202,559 53929,560 123587,561 2.008,562 54.9,563 12,564 24,567 3,568 2,569 13,570 2,572 1.823,573 1.917,574 4.52,575 0.669,582 151.258,583 1.483,584 3.284,585 4.869,586 5.741,587 6.035,588 6.148,589 3.999,590 4.621,591 5.491,592 4.819,593 4987.35,594 9.681,595 121678,600 680.587,601 1.173,602 5.473,603 0.135,604 0.004,605 0.06,606 0.033,607 0.033,608 0.016,609 0.013,610 0.009,611 0.006,612 0.005,613 0.316,614 0.17,615 0.63,616 0.665,617 288.917,618 -0.013,619 -0.082,620 0.149,621 0.056,622 -0.001,623 0.012,624 -0.022,625 -0.072,626 -0.04,627 -0.057,628 0.061,629 -0.072,630 0.019,631 -0.038,632 -0.045,633 -0.057,634 0.061,635 -0.01,636 0.012,637 -0.027,638 -0.048,639 -0.043,640 -0.006,641 -0.049,642 0.02,643 -0.015,644 -0.026,645 -0.029,646 0.028,647 -0.029,648 -0.12,649 0.006,650 -0.066,651 -0.009,652 -0.117,653 -0.03,654 -0.063,655 0.009,656 -0.039,657 -0.032,658 -0.099,659 -0.054,660 -0.043,661 -0.074,662 0.018,663 -0.029,664 -0.093,665 -0.025,666 1.831,667 5.572,668 0.37,669 103.108,670 0.989,671 1.132,672 3.352,673 11.236,674 0.637,675 3.892,676 4.094,677 4.263,678 4.394,679 4.477,680 4.419,681 4.382,682 4.357,683 4.344,684 4.344,685 14.601,686 0.579,687 673.1,688 3.892,689 5.371,690 6.159,691 6.969,692 7.774,693 8.59,694 9.403,695 10.223,696 11.041,697 11.865,698 3.9,700 1,701 1,705 1,707 1,715 4,720 2,722 6,739 1,741 102,743 11,744 1,745 48,747 104,748 36,749 6,750 2,751 4,752 6,756 3,757 3,763 1,767 2,770 14,772 13,773 23,777 5,782 2,784 2,785 1,786 5,793 56,794 8,795 3,796 10,797 2,802 4,808 1,809 4,828 1,829 2,839 1,841 1,843 1,849 4,853 1,855 1,857 1,859 3,861 1,862 2,864 2,868 46,875 1,876 20,877 2,878 1,879 2,880 1,881 1,893 3.9,895 1,896 2,898 1,901 24,902 18.017,903 10.833,904 6.938,907 2.106,908 1.269,909 0.917,910 19.795,911 9.947,912 4.043,913 4.413,914 4.794,915 5.135,916 5.484,917 5.473,918 5.504,919 5.526,920 5.543,921 5.549,922 1,923 59,924 17.193,926 6.941,927 0.026,929 7.591,931 34,933 27.321,936 2.091,937 96.167,941 623.868,942 207.193,943 55.931,945 103.973,947 60.363,948 146.829,949 727.841,950 55.931,951 19.708,952 64.494,953 74.868,954 108.325,955 39.339,957 684.232,959 623.868,960 202.761,961 103.973,962 60.363,964 447.302,965 280.54,968 111.239,969 69.812,970 21.709,971 60.363,972 623.868,973 159.904,974 207.193,977 623.868,978 130.627,979 79.69,980 36.022,981 120.759,982 623.868,983 159.904,984 207.193,986 0.548,987 0.311,988 0.161,989 0.081,990 18,991 9,992 0.231,993 24,995 1,996 6.003,997 388.955,999 17,1000 254.084,1001 2,1005 38.68,1006 23.542,1007 15.797,1009 159.904,1010 8.189,1015 2.153,1017 78.705,1018 990.966,1019 56,1024 24.6,1026 2.938,1027 4.463,1028 0.866,1031 100.843,1032 115.466,1034 0.222,1035 0.492,1036 0.73,1037 0.86,1038 0.904,1039 0.921,1040 5.244,1041 1.83,1042 6.066,1043 4.72,1044 4.779,1045 5.1,1046 2.404,1047 6.735,1048 4.706,1049 6.344,1050 1.696,1051 7.534,1052 4.043,1053 4.007,1054 4.605,1055 1.668,1056 7.368,1057 3.905,1058 7.581,1059 1.571,1060 9.106,1061 3.759,1062 6.229,1063 7.003,1064 3.026,1065 10.435,1066 6.09,1067 8.854,1068 1.543,1069 10.744,1070 3.62,1071 6.365,1072 7.428,1073 3.055,1074 11.97,1075 6.191,1076 10.167,1077 1.454,1078 12.427,1079 3.264,1080 7.94,1081 9.254,1082 4.066,1083 14.502,1084 7.744,1085 11.507,1086 1.416,1087 14.141,1088 3.066,1089 8.528,1090 10.118,1091 4.415,1092 16.406,1093 8.301,1094 12.869,1095 1.281,1096 15.877,1097 3.01,1098 9.819,1099 11.706,1100 5.257,1101 18.75,1102 9.575,1103 2.988,1104 1.121,1105 17.63,1106 2.721,1107 10.641,1108 12.792,1109 5.751,1110 20.819,1111 10.373,1112 2.875,1113 9.366,1114 19.395,1115 2.399,1116 11.803,1117 14.266,1118 6.503,1119 23.091,1120 11.52,1121 2.545,1122 9.118,1123 21.169,1124 3.846,1125 12.746,1126 15.467,1127 7.069,1128 25.237,1129 12.444,1130 2.422,1131 7.583,1132 22.951,1133 3.805,1134 13.851,1135 16.883,1136 7.771,1137 27.48,1138 13.536,1139 2.38,1140 6.998,1141 24.739,1142 3.014,1143 14.857,1144 18.146,1145 8.375,1146 29.664,1147 14.525,1148 2.376,1149 6.713,1150 26.531,1151 2.829,1152 15.94,1153 19.53,1154 9.051,1155 31.896,1156 15.595,1157 1.862,1158 6.09,1159 28.328,1160 2.54,1161 16.978,1162 20.827,1163 9.674,1164 34.1,1165 16.62,1166 52314,1167 79435,1168 32.068,1169 64.933,1170 67.301,1171 71.904,1172 68.857,1173 66.838,1174 66.832,1175 77.146,1176 10.01,1177 169.538,1178 64.295,1179 5.374,1180 6.08,1181 6.14,1182 5.015,1183 4.988,1184 6.846,1185 3.306,1186 16.052,1187 4.947,1188 22.652,1189 1.402,1190 1.498,1191 1.435,1192 1.392,1193 1.392,1194 1.607,1195 0.209,1196 3.532,1197 1.339,1198 3.975,1199 4.015,1200 4.233,1201 3.878,1202 7.431,1203 3.875,1204 3.911,1205 3.94,1206 3.903,1207 3.809,1208 7.426,1209 3.813,1210 3.826,1211 3.873,1212 3.86,1213 3.78,1214 6.469,1215 3.71,1216 3.756,1217 3.819,1218 3.667,1219 3.626,1220 4.862,1221 3.608,1222 3.738,1223 3.793,1224 3.607,1225 3.617,1226 4.619,1227 3.601,1228 3.638,1229 3.693,1230 3.536,1231 3.517,1232 4.393,1233 3.486,1234 3.588,1235 3.658,1236 3.44,1237 3.414,1238 4.352,1239 3.409,1240 3.472,1241 3.548,1242 3.347,1243 3.306,1244 4.276,1245 3.29,1246 0.091,1247 0.085,1248 0.13,1249 0.083,1250 0.062,1251 4.381,1252 0.08,1253 4.08,1254 0.04,1255 6.25,1256 0.195,1257 3.974,1258 0.061,1259 2.988,1260 3.846,1261 1.907,1262 9.366,1263 2.947,1264 1.913,1265 1.887,1266 2.052,1267 2.033,1268 1.382,1269 2.04,1270 1.857,1271 1.829,1272 2.029,1273 2.008,1274 1.378,1275 2.008,1276 1.786,1277 1.731,1278 2.001,1279 1.96,1280 1.365,1281 1.975,1282 1.76,1283 1.7,1284 1.991,1285 1.92,1286 1.211,1287 1.947,1288 1.732,1289 1.676,1290 1.904,1291 1.887,1292 1.14,1293 1.908,1294 1.587,1295 1.516,1296 1.847,1297 1.798,1298 1.087,1299 1.818,1300 1.561,1301 1.501,1302 1.793,1303 1.755,1304 1.065,1305 1.775,1306 1.46,1307 1.385,1308 1.739,1309 1.657,1310 0.966,1311 1.693,1312 4.575,1314 5.808,1315 2.398,1316 7.213,1317 4.443,1318 8.707,1319 6.26,1320 10.255,1322 3.908,1327 10.443,1328 19.666,1329 6.234,1330 5.492,1331 3.988,1332 0.791,1333 2.436,1340 59.016,1341 151.258,1342 334.992,1343 496.674,1344 585.594,1345 615.568,1346 627.078,1347 151.515,1348 7.841,1349 103.26,1350 153.86,1351 17,1352 12.445,1353 3.585,1354 3.17,1355 110.991,1356 406,1357 386,1358 0.124,1359 375.919,1360 678.44,1361 909.003,1362 41879,1364 32.824,1365 0.714,1366 0.646,1367 33.531,1368 29.699,1369 22.495,1370 0.469,1371 0.411,1372 17.324,1373 20.899,1374 16.754,1375 13.971,1376 23.574,1377 19.726,1378 18.253,1379 0.309,1380 0.252,1381 19.521,1382 14.867,1383 14.506,1384 0.207,1385 0.163,1386 15.89,1387 11.431,1388 11.004,1389 0.138,1390 0.108,1391 12.411,1392 8.639,1393 8.033,1394 0.092,1395 0.057,1396 8.645,1397 4.948,1398 0.214,1399 149.332,1400 0.177,1401 43.017,1402 0.295,1403 214,1404 565.033,1405 271.768,1406 579.602,1407 769.69,1408 544,1409 236,1410 502.029,1411 292.513,1412 536.684,1413 767.43,1414 505,1415 7}
{0 CHEMBL572532,1 1.521,2 22.442,3 4.668,4 21.79,5 184.67,6 6.785,7 0.133,8 4.576,9 4.707,10 4.141,11 4.118,12 5.539,13 4.028,14 5.158,15 5.364,16 4.367,17 4.49,18 6.049,19 4.361,20 5.439,21 5.693,22 4.357,23 4.598,24 6.311,25 4.44,26 5.465,27 5.722,28 4.303,29 4.59,30 6.332,31 4.427,32 5.503,33 5.772,34 4.271,35 4.609,36 6.364,37 4.43,38 5.505,39 5.774,40 4.223,41 4.583,42 6.343,43 4.402,44 5.456,45 5.728,46 4.206,47 4.518,48 6.305,49 4.34,50 5.394,51 5.677,52 4.155,53 4.434,54 6.25,55 4.259,56 0.092,57 1.324,58 26.368,59 10.174,60 12.264,61 13.016,62 0.351,63 2.112,64 45.145,65 16.109,66 35.012,67 21.839,68 0.609,69 2.523,70 62.244,71 20.32,72 68.671,73 27.813,74 0.739,75 2.508,76 60.125,77 20.147,78 73.68,79 28.154,80 0.675,81 2.558,82 62.267,83 21.426,84 89.087,85 29.822,86 0.701,87 2.51,88 62.842,89 20.975,90 83.03,91 29.126,92 0.723,93 2.392,94 60.139,95 19.381,96 76.965,97 27.421,98 0.623,99 2.22,100 56.107,101 17.952,102 73.639,103 25.715,104 30,105 56,106 0.228,107 0.512,108 0.757,109 0.883,110 0.908,111 0.908,112 3.787,113 1.215,114 -4.04,115 -3.99,116 -3.78,121 35.5,122 1,123 10,126 1,127 7,129 1,137 2,140 2,144 4,145 1,146 1,158 2,160 1,176 10,180 9,183 1,185 5,187 9,191 1,192 8,196 1,197 3,200 6,205 1,206 7,209 2,210 1,211 1,214 7,219 5,222 2,224 2,227 9,232 4,235 1,237 3,239 10,243 1,244 4,248 1,249 5,251 10,256 3,259 1,261 3,264 6,269 5,272 2,274 4,277 7,281 5257,282 29.449,283 29.449,284 29.449,285 29.449,286 29.449,287 27.762,288 36.444,289 18.366,290 30.189,291 22.131,292 22.131,293 22.131,294 22.131,295 22.131,296 19.41,297 45.058,298 8.638,299 23.114,300 5.018,301 3.115,302 1.477,303 0.635,304 0.468,305 0.468,306 4.471,312 1,313 2008,314 5.339,317 171.447,318 383.878,325 4.225,326 41.096,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.5,335 0.5,336 0.71,337 92,338 965,339 4.381,340 4.08,341 6.25,342 3.974,343 2.988,344 3.846,345 1.907,346 9.366,347 2.947,348 4.206,349 3.581,350 6.159,351 3.84,352 2.875,353 3.805,354 0.916,355 9.118,356 2.773,357 3.773,358 3.574,359 5.741,360 3.468,361 2.545,362 3.014,363 0.86,364 7.583,365 2.398,366 3.661,367 3.354,368 5.353,369 3.397,370 2.424,371 2.829,372 0.6,373 6.998,374 2.339,375 3.538,376 3.188,377 5.284,378 3.372,379 2.38,380 2.54,381 0.4,382 6.713,383 2.295,384 3.43,385 2.889,386 5.034,387 3.304,388 2.372,389 2.467,390 0.172,391 6.09,392 2.197,393 3.265,394 2.729,395 4.559,396 2.824,397 1.832,398 2.385,399 0.149,400 4.719,401 1.811,402 2.917,403 2.437,404 4.316,405 2.726,406 1.753,407 2.088,409 4.043,410 1.7,411 2.873,412 1.966,413 3.915,414 2.607,415 1.625,416 1.96,418 3.668,419 1.59,420 2.812,421 1.949,422 3.783,423 2.497,424 1.546,425 1.822,427 3.436,428 1.465,429 2.696,430 1.77,431 3.682,432 2.475,433 1.505,434 1.689,436 3.171,437 1.446,438 2.575,439 1.666,440 3.621,441 2.429,442 1.434,443 1.556,445 3.028,446 1.424,447 2.497,448 1.611,449 3.545,450 2.269,451 1.298,452 1.415,454 2.793,455 1.257,456 2.162,457 1.51,458 3.344,459 2.041,460 1.127,461 1.141,463 2.421,464 1.01,465 2.132,466 1.292,467 3.232,468 1.905,469 0.948,470 1.051,472 2.098,473 0.896,474 21.1,475 0.491,476 0.677,477 0.016,478 40,479 0.93,480 14,481 0.326,482 26,483 0.605,484 54.136,485 1.259,486 50.3,487 0.541,488 29.604,489 0.688,490 6.529,491 0.152,492 14.466,493 0.336,494 0.095,496 0.209,501 0.811,502 1.365,503 0.79,504 1.073,505 0.655,506 1.119,507 0.912,508 1.207,509 1.026,510 1.097,511 0.579,512 1.101,513 0.948,514 1.081,515 1.076,516 1.073,517 0.843,518 1.013,519 1.022,520 0.996,521 0.941,522 0.956,523 0.996,524 1.031,525 0.908,526 0.993,527 0.895,528 0.954,529 0.998,530 1.019,531 1.167,532 0.975,533 0.944,534 0.927,535 1.236,536 1.011,537 1.118,538 0.973,539 0.886,540 0.918,541 1.162,542 1.007,543 1.013,544 0.969,545 0.779,546 0.866,547 1.17,548 0.937,549 6.5,550 0.193,551 3.556,552 1.972,553 1.832,554 0.83,555 0.624,556 0.43,557 0.309,558 0.232,559 43044,560 102610,561 2.009,562 53.8,563 8,564 24,567 3,568 2,569 9,570 4,572 1.808,573 1.911,574 4.379,575 0.71,582 141.484,583 1.521,584 3.424,585 5.063,586 5.905,587 6.071,588 6.071,589 3.83,590 5.24,591 5.394,592 4.674,593 4221.01,594 9.491,595 94942.2,600 608.142,601 1.216,602 5.372,603 0.144,604 0.005,605 0.063,606 0.035,607 0.035,608 0.017,609 0.013,610 0.01,611 0.007,612 0.006,613 0.336,614 0.33,615 0.63,616 0.693,617 263.169,618 -0.021,619 -0.088,620 0.154,621 0.061,622 -0.008,623 0.013,624 -0.03,625 -0.055,626 -0.033,627 -0.041,628 0.057,629 -0.055,630 0.005,631 -0.042,632 -0.061,633 -0.067,634 0.051,635 -0.018,636 0.012,638 -0.061,639 -0.044,640 -0.015,641 -0.059,642 0.019,643 -0.031,644 -0.033,645 -0.041,646 0.023,647 -0.041,648 -0.089,649 -0.028,650 -0.068,651 -0.025,652 -0.101,653 -0.047,654 -0.042,655 -0.025,656 -0.027,657 -0.036,658 -0.076,659 -0.052,660 0.005,661 -0.044,662 0.057,663 -0.004,664 -0.034,665 0.012,666 1.863,667 5.531,668 0.395,669 86.971,670 0.991,671 1.131,672 2.809,673 7.889,674 0.641,675 3.829,676 4.043,677 4.22,678 4.357,679 4.443,680 4.382,681 4.344,682 4.331,683 4.331,684 4.331,685 13.276,686 0.585,687 631.01,688 3.829,689 5.313,690 6.107,691 6.923,692 7.732,693 8.553,694 9.37,695 10.195,696 11.017,697 11.844,698 4.3,700 1,701 1,705 1,707 1,715 4,720 2,722 6,739 1,741 93,743 11,744 1,745 45,747 95,748 33,749 6,750 2,751 4,752 6,756 3,757 3,763 1,767 2,770 11,772 13,773 20,777 5,782 2,784 2,785 1,786 5,793 50,794 8,795 3,796 10,797 2,802 4,808 1,809 4,828 1,829 2,839 1,841 1,843 1,849 4,853 1,855 1,857 1,859 3,861 1,862 2,864 2,868 43,875 1,876 17,877 2,878 1,879 2,880 1,881 1,893 4.3,895 1,896 2,898 1,901 22.5,902 16.517,903 10.083,904 6.188,907 2.124,908 1.275,909 0.919,910 17.486,911 9.854,912 3.989,913 4.376,914 4.769,915 5.117,916 5.471,917 5.46,918 5.492,919 5.53,920 5.563,921 5.591,922 0.933,923 56,924 16.06,926 6.516,927 0.026,929 7.632,931 31.551,933 25.321,936 2.132,937 91.667,941 553.242,942 199.589,943 55.931,945 103.973,947 60.363,948 139.226,949 657.215,950 55.931,951 19.708,952 56.89,953 74.868,954 108.325,955 39.339,957 613.605,959 553.242,960 195.157,961 103.973,962 60.363,964 400.217,965 256.997,968 103.636,969 69.812,970 21.709,971 60.363,972 553.242,973 159.904,974 199.589,977 553.242,978 123.023,979 79.69,980 36.022,981 120.759,982 553.242,983 159.904,984 199.589,986 0.551,987 0.315,988 0.163,989 0.082,990 18,991 9,992 0.221,993 21,995 1,996 5.672,997 361.901,999 17,1000 233.329,1001 2,1005 35.71,1006 21.056,1007 13.821,1009 159.904,1010 8.172,1015 2.145,1017 78.705,1018 912.735,1019 53,1024 24.582,1026 2.862,1027 4.439,1028 0.631,1031 92.192,1032 105.22,1034 0.233,1035 0.524,1036 0.774,1037 0.903,1038 0.928,1039 0.928,1040 5.196,1041 1.753,1042 6.023,1043 4.719,1044 4.727,1045 5.063,1046 2.404,1047 6.706,1048 4.65,1049 6.307,1050 1.625,1051 7.502,1052 4.043,1053 4.007,1054 4.605,1055 1.668,1056 7.368,1057 3.905,1058 7.551,1059 1.546,1060 9.082,1061 3.668,1062 6.192,1063 6.987,1064 3.026,1065 10.426,1066 6.048,1067 8.832,1068 1.505,1069 10.727,1070 3.436,1071 6.365,1072 7.428,1073 3.055,1074 11.97,1075 6.191,1076 10.151,1077 1.434,1078 12.415,1079 3.171,1080 7.918,1081 9.249,1082 4.066,1083 14.5,1084 7.718,1085 11.495,1086 1.298,1087 14.133,1088 3.028,1089 8.528,1090 10.118,1091 4.415,1092 16.406,1093 8.301,1094 12.86,1095 1.127,1096 15.872,1097 2.793,1098 9.807,1099 11.704,1100 5.257,1101 18.75,1102 9.561,1103 2.988,1104 0.948,1105 17.627,1106 2.421,1107 10.641,1108 12.792,1109 5.751,1110 20.819,1111 10.373,1112 2.875,1113 9.366,1114 19.393,1115 2.098,1116 11.797,1117 14.265,1118 6.503,1119 23.091,1120 11.513,1121 2.545,1122 9.118,1123 21.168,1124 3.846,1125 12.746,1126 15.467,1127 7.069,1128 25.237,1129 12.444,1130 2.424,1131 7.583,1132 22.95,1133 3.805,1134 13.849,1135 16.882,1136 7.771,1137 27.48,1138 13.532,1139 2.38,1140 6.998,1141 24.738,1142 3.014,1143 14.857,1144 18.146,1145 8.375,1146 29.664,1147 14.525,1148 2.372,1149 6.713,1150 26.531,1151 2.829,1152 15.939,1153 19.53,1154 9.051,1155 31.896,1156 15.594,1157 1.832,1158 6.09,1159 28.328,1160 2.54,1161 16.978,1162 20.827,1163 9.674,1164 34.1,1165 16.619,1166 41732,1167 64695,1168 29.989,1169 59.648,1170 63.426,1171 68.005,1172 64.975,1173 63.012,1174 63.031,1175 73.351,1176 10.01,1177 161.933,1178 60.493,1179 5.372,1180 6.08,1181 6.113,1182 5.02,1183 4.988,1184 6.846,1185 3.306,1186 16.052,1187 4.947,1188 21.496,1189 1.409,1190 1.511,1191 1.444,1192 1.4,1193 1.401,1194 1.63,1195 0.222,1196 3.599,1197 1.344,1198 3.972,1199 4.01,1200 4.233,1201 3.875,1202 7.431,1203 3.874,1204 3.91,1205 3.939,1206 3.902,1207 3.807,1208 7.426,1209 3.812,1210 3.817,1211 3.862,1212 3.86,1213 3.779,1214 6.469,1215 3.706,1216 3.751,1217 3.813,1218 3.649,1219 3.618,1220 4.862,1221 3.604,1222 3.695,1223 3.749,1224 3.607,1225 3.56,1226 4.619,1227 3.538,1228 3.598,1229 3.669,1230 3.466,1231 3.436,1232 4.393,1233 3.421,1234 3.545,1235 3.607,1236 3.41,1237 3.4,1238 4.356,1239 3.383,1240 3.375,1241 3.457,1242 3.263,1243 3.198,1244 4.271,1245 3.184,1246 0.097,1247 0.091,1248 0.139,1249 0.088,1250 0.066,1251 4.381,1252 0.085,1253 4.08,1254 0.042,1255 6.25,1256 0.208,1257 3.974,1258 0.065,1259 2.988,1260 3.846,1261 1.907,1262 9.366,1263 2.947,1264 1.913,1265 1.887,1266 2.052,1267 2.033,1268 1.38,1269 2.04,1270 1.854,1271 1.827,1272 2.004,1273 2.006,1274 1.378,1275 1.999,1276 1.776,1277 1.723,1278 1.999,1279 1.946,1280 1.219,1281 1.965,1282 1.754,1283 1.695,1284 1.944,1285 1.913,1286 1.21,1287 1.934,1288 1.642,1289 1.578,1290 1.869,1291 1.839,1292 1.131,1293 1.856,1294 1.58,1295 1.507,1296 1.827,1297 1.784,1298 1.069,1299 1.805,1300 1.514,1301 1.452,1302 1.765,1303 1.693,1304 0.971,1305 1.725,1306 1.383,1307 1.303,1308 1.694,1309 1.597,1310 0.918,1311 1.634,1312 4.511,1314 5.753,1315 2.398,1316 7.168,1317 4.443,1318 8.672,1319 6.26,1320 10.228,1322 3.899,1327 10.4,1328 15.837,1329 6.067,1330 5.484,1331 3.953,1332 0.766,1333 2.429,1340 54.435,1341 141.484,1342 318.443,1343 470.818,1344 549.122,1345 564.632,1346 564.632,1347 135.004,1348 7.73,1349 103.26,1350 153.86,1351 17,1352 12.42,1353 3.585,1354 3.17,1355 99.331,1356 343,1357 326,1358 0.131,1359 347.142,1360 626.54,1361 838.787,1362 34672,1364 30.702,1365 0.714,1366 0.641,1367 31.409,1368 27.578,1369 20.995,1370 0.467,1371 0.405,1372 15.824,1373 19.399,1374 15.284,1375 12.721,1376 22.074,1377 18.226,1378 17.192,1379 0.307,1380 0.247,1381 18.46,1382 13.806,1383 13.756,1384 0.205,1385 0.159,1386 15.14,1387 10.681,1388 10.474,1389 0.136,1390 0.106,1391 11.881,1392 8.124,1393 7.658,1394 0.091,1395 0.055,1396 8.27,1397 4.61,1398 0.225,1399 140.332,1400 0.183,1401 40.522,1402 0.316,1403 202,1404 553.033,1405 259.768,1406 567.118,1407 752.41,1408 532,1409 224,1410 490.029,1411 280.513,1412 524.199,1413 750.15,1414 493,1415 6.824}
{0 CHEMBL572858,1 1.52,2 7.1,3 2.686,4 7.214,5 83.39,6 7.538,7 0.435,8 3.754,9 3.887,10 3.404,11 3.375,12 4.751,13 3.306,14 4.325,15 4.503,16 3.799,17 3.832,18 5.211,19 3.742,20 4.575,21 4.766,22 3.919,23 4.005,24 5.458,25 3.89,26 4.723,27 4.972,28 3.886,29 3.974,30 5.617,31 3.845,32 4.668,33 4.931,34 3.561,35 3.849,36 5.522,37 3.678,38 4.507,39 4.805,40 3.423,41 3.633,42 5.285,43 3.436,44 4.173,45 4.441,46 3.022,47 3.361,48 4.982,49 3.122,50 3.837,51 4.134,52 2.575,53 2.989,54 4.46,55 2.697,56 0.07,57 0.618,58 8.809,59 3.693,60 8.365,61 4.886,62 0.115,63 1.039,64 18.987,65 7.135,66 11.206,67 9.391,68 0.127,69 1.294,70 22.302,71 8.746,72 15.256,73 11.952,74 0.27,75 1.418,76 27.253,77 9.267,78 29.57,79 13.308,80 0.273,81 1.305,82 27.175,83 8.471,84 31.925,85 11.812,86 0.207,87 1.057,88 24.618,89 7.926,90 25.397,91 10.875,92 0.209,93 0.803,94 21.691,95 6.157,96 20.885,97 7.453,98 0.067,99 0.506,100 13.187,101 4.93,102 8.889,103 6.442,104 11,105 35,106 0.274,107 0.651,108 0.833,109 0.862,110 0.862,111 0.862,112 3.061,113 1.079,114 -4.21,115 -4.15,116 -3.92,121 39.5,122 1,123 3,124 2,126 1,137 1,138 1,145 2,146 1,148 1,151 1,155 1,165 1,166 1,167 1,172 1,176 9,179 1,180 4,185 4,187 15,189 2,192 3,195 1,197 1,200 10,203 1,206 6,208 2,209 2,210 1,211 5,213 1,214 9,216 4,219 3,224 4,227 3,229 2,232 4,237 5,239 5,241 2,244 1,249 2,251 2,256 1,261 1,264 2,281 384,282 13.627,283 13.627,284 13.627,285 13.627,286 13.627,287 12.164,288 14.208,289 7.659,290 14.043,291 11.31,292 11.31,293 11.31,294 11.31,295 11.31,296 8.973,297 13.422,298 3.571,299 11.839,300 3.728,301 1.633,302 0.619,303 0.461,304 0.461,305 0.461,306 3.757,310 1,311 1,312 1,313 318,314 2.345,317 28.902,318 91.405,320 42.606,321 47.712,322 48.868,324 62.129,325 1.02,326 13.703,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 42,338 142,339 4.736,340 4.365,341 7.03,342 4.321,343 3.346,344 4.683,345 2.95,346 12.013,347 3.267,348 4.198,349 3.475,350 6.458,351 3.895,352 2.923,353 3.655,354 0.68,355 10.004,356 2.839,357 3.793,358 2.985,359 5.538,360 3.407,361 2.428,362 3.085,364 7.397,365 2.375,366 3.517,367 2.681,368 5.391,369 3.179,370 2.211,371 2.895,373 6.852,374 2.147,375 3.166,376 2.488,377 5.02,378 2.868,379 1.928,380 2.318,382 5.697,383 1.814,384 2.95,385 2.24,386 4.935,387 2.708,388 1.748,389 1.994,391 5.168,392 1.68,393 2.884,394 2.018,395 4.659,396 2.584,397 1.649,398 1.916,400 4.851,401 1.5,402 2.292,403 1.856,404 3.814,405 1.833,406 0.87,407 1.21,409 2.246,410 0.833,411 1.59,412 0.923,413 3.233,414 1.269,415 0.435,416 0.486,418 0.782,419 0.35,420 1.285,421 0.634,422 3.038,423 1.039,424 0.089,425 0.099,427 0.228,428 0.085,429 1.17,430 0.353,431 2.75,432 0.821,433 -0.112,434 -0.135,436 -0.304,437 -0.104,438 0.662,439 0.009,440 2.511,441 0.59,442 -0.399,443 -0.414,445 -1.012,446 -0.395,447 0.63,448 -0.072,449 2.316,450 0.256,451 -0.693,452 -0.845,454 -1.795,455 -0.639,456 0.272,457 -0.594,458 2.185,459 0.062,460 -0.919,461 -1.008,463 -2.632,464 -0.887,465 0.119,466 -0.719,467 2,468 -0.198,469 -1.118,470 -1.321,472 -3.089,473 -0.997,474 9.933,475 0.497,476 0.589,477 0.029,478 22.75,479 1.138,480 10,481 0.5,482 12.75,483 0.638,484 19.933,485 0.997,486 21.267,487 0.56,488 12.509,489 0.625,490 3.602,491 0.18,492 6.067,493 0.303,494 0.141,496 0.453,501 0.904,502 0.978,503 0.773,504 0.823,505 1.084,506 0.859,507 0.643,508 1.105,509 0.937,510 1.059,511 0.544,512 0.898,513 0.69,514 1.248,515 0.861,516 1.104,517 0.814,518 1.115,519 0.785,520 1.071,521 0.721,522 0.915,523 0.84,524 0.973,525 1.59,526 0.997,527 1.116,528 0.971,529 1.719,530 1.106,531 1.135,532 0.884,533 0.861,534 0.803,535 1.109,536 0.858,537 1.861,538 0.965,539 1.854,540 1.354,541 1.615,542 1.182,543 0.486,544 0.989,545 1.018,546 1.128,547 0.391,548 1.137,549 4.5,551 2,552 2.347,553 1.574,554 0.819,555 0.282,556 0.212,557 0.109,558 0.016,559 3436,560 7620,561 2.163,562 47.4,563 9,564 4,567 3,568 2,572 1.625,573 2,574 2.828,575 1.103,576 1,577 1,579 1,582 57.759,583 1.52,584 3.615,585 4.629,586 4.787,587 4.787,588 4.787,589 2.243,590 4.122,591 4.297,592 2.888,593 548.666,594 7.373,595 5249.86,596 1,597 1,598 1,599 1,600 199.421,601 1.458,602 4.245,603 0.196,605 0.057,606 0.063,607 0.046,608 0.036,609 0.015,610 0.019,611 0.018,612 0.008,613 0.458,614 0.67,615 1,616 0.843,617 84.966,618 0.039,619 0.187,620 0.071,621 0.143,622 -0.075,623 0.102,624 0.155,625 -0.036,626 0.048,627 -0.007,628 0.173,629 0.106,630 0.104,631 -0.223,632 -0.016,633 -0.153,634 0.003,635 -0.135,636 0.226,637 -0.105,638 0.098,639 -0.047,640 0.241,641 -0.026,642 -0.353,643 0.003,644 -0.218,645 -0.095,646 -0.361,647 -0.189,648 -0.069,649 0.028,650 0.105,651 0.126,652 -0.026,653 0.103,654 -0.507,655 0.103,656 -0.433,657 -0.16,658 -0.417,659 -0.214,660 0.099,661 -0.158,662 0.041,663 -0.064,664 0.117,665 -0.093,666 0.897,667 2.509,668 0.8,669 10.64,670 0.991,671 1.127,672 2.977,673 8.86,674 0.684,675 3.178,676 3.584,677 3.951,678 4.344,679 4.605,680 4.82,681 4.99,682 5.193,683 5.215,684 5.278,685 4.22,686 0.631,687 286.44,688 3.178,689 4.762,690 5.666,691 6.603,692 7.521,693 8.463,694 9.387,695 10.331,696 11.257,697 12.201,698 10.5,702 1,706 1,708 2,714 2,716 2,717 1,720 4,722 10,733 1,741 38,743 11,745 23,747 41,748 15,749 6,756 4,757 10,763 1,767 3,768 2,770 3,772 8,773 7,774 2,777 1,784 1,786 1,789 1,790 1,793 18,794 3,795 3,796 5,797 1,802 4,808 0.25,820 1,822 1,828 1,829 3,831 1,832 1,833 1,835 1,849 1,850 1,859 1,860 1,862 1,864 2,868 20,869 1,876 3,879 1,880 2,901 10,902 7.4,903 4.25,904 2.311,907 2.475,908 1.332,909 1.037,910 2.779,911 9.927,912 3.401,913 4.082,914 4.744,915 5.415,916 5.945,917 6.414,918 6.853,919 7.292,920 7.494,921 7.725,922 0.8,923 37,924 7.419,926 3.276,927 0.026,929 7.458,931 14.751,933 13.15,936 1.958,937 39.167,938 0.002,941 176.567,942 82.61,943 83.009,947 32.22,948 50.39,949 176.567,950 83.009,951 16.016,952 7.604,953 42.373,954 33.449,955 33.958,957 208.786,959 176.567,960 133.399,962 32.22,964 178.282,968 36.97,969 51.788,970 42.925,971 32.22,972 176.567,973 83.009,974 82.61,977 176.567,978 57.118,979 25.492,980 16.663,981 66.346,982 176.567,983 83.009,984 82.61,986 0.598,987 0.369,988 0.222,989 0.119,990 21,991 9,992 0.024,993 1,994 4,995 1.438,996 3.129,997 171.192,998 0.5,999 15,1000 86.439,1001 1,1005 12.575,1006 4.42,1007 1.809,1008 1.785,1009 66.346,1011 9.103,1012 3.053,1015 4.385,1017 49.56,1018 342.185,1019 29,1026 2.416,1028 1.494,1031 37.669,1032 42.82,1034 0.29,1035 0.689,1036 0.882,1037 0.912,1038 0.912,1039 0.912,1040 4.696,1041 0.87,1042 5.694,1043 4.851,1044 4.263,1045 4.766,1046 2.962,1047 6.603,1048 4.191,1049 5.937,1050 0.435,1051 7.309,1052 2.246,1053 4.007,1054 4.783,1056 7.647,1057 3.921,1058 7.287,1059 0.089,1060 9.019,1061 0.782,1062 5.948,1063 7.068,1064 5.03,1065 10.818,1066 5.83,1067 8.671,1068 -0.112,1069 10.786,1070 0.228,1071 6.479,1072 7.921,1074 12.689,1075 6.341,1076 10.087,1077 -0.399,1078 12.589,1079 -0.304,1080 7.931,1081 9.722,1082 7.185,1083 15.395,1084 7.771,1085 11.528,1086 -0.693,1087 14.419,1088 -1.012,1089 8.827,1090 10.96,1092 17.619,1093 8.644,1094 12.988,1095 -0.919,1096 16.269,1097 -1.795,1098 10.102,1099 12.588,1100 9.348,1101 20.169,1102 9.898,1103 3.346,1104 -1.118,1105 18.136,1106 -2.632,1107 11.164,1108 13.997,1110 22.539,1111 10.936,1112 2.923,1113 12.013,1114 20.016,1115 -3.089,1116 12.376,1117 15.564,1118 11.511,1119 25.036,1120 12.127,1121 2.428,1122 10.004,1123 21.907,1124 4.683,1125 13.512,1126 17.048,1128 27.467,1129 13.237,1130 2.211,1131 7.397,1132 23.807,1133 3.655,1134 14.706,1135 18.595,1136 13.675,1137 29.947,1138 14.409,1139 1.928,1140 6.852,1141 25.714,1142 3.085,1143 15.874,1144 20.112,1146 32.404,1147 15.553,1148 1.748,1149 5.697,1150 27.627,1151 2.895,1152 17.065,1153 21.653,1154 15.838,1155 34.882,1156 16.721,1157 1.649,1158 5.168,1159 29.545,1160 2.318,1161 18.248,1162 23.184,1164 37.351,1165 17.88,1166 3281,1167 5001,1168 15.433,1169 26,1170 35.604,1171 38.896,1172 37.371,1173 35.162,1174 35.253,1175 44.684,1176 7.26,1177 110.475,1178 33.779,1179 5.689,1180 6.365,1181 6.573,1182 5.373,1183 5.346,1184 7.683,1185 5.9,1186 19.633,1187 5.267,1188 9.078,1189 1.548,1190 1.691,1191 1.625,1192 1.529,1193 1.533,1194 1.943,1195 0.316,1196 4.803,1197 1.469,1198 4.14,1199 4.179,1200 4.173,1201 4.047,1202 5.206,1203 4.051,1204 3.87,1205 3.917,1206 3.863,1207 3.774,1208 4.901,1209 3.766,1210 3.442,1211 3.502,1212 3.561,1213 3.349,1214 4.53,1215 3.315,1216 3.242,1217 3.323,1218 3.237,1219 3.128,1220 4.281,1221 3.079,1222 3.182,1223 3.262,1224 3.1,1225 3.052,1226 3.897,1227 3.007,1228 3.069,1229 3.172,1230 2.892,1231 2.849,1232 3.763,1233 2.835,1234 2.906,1235 3.013,1236 2.749,1237 2.635,1238 3.585,1239 2.656,1240 2.659,1241 2.784,1242 2.343,1243 2.424,1244 3.318,1245 2.381,1246 0.206,1247 0.19,1248 0.306,1249 0.188,1250 0.145,1251 4.736,1252 0.204,1253 4.365,1254 0.128,1255 7.03,1256 0.522,1257 4.321,1258 0.142,1259 3.346,1260 4.683,1261 2.95,1262 12.013,1263 3.267,1264 2.043,1265 2.014,1266 2.162,1267 2.137,1268 1.527,1269 2.146,1270 1.732,1271 1.704,1272 1.819,1273 1.84,1274 1.014,1275 1.843,1276 1.422,1277 1.371,1278 1.628,1279 1.674,1280 0.907,1281 1.654,1282 1.3,1283 1.226,1284 1.529,1285 1.523,1286 0.747,1287 1.552,1288 1.197,1289 1.129,1290 1.486,1291 1.402,1292 0.663,1293 1.45,1294 1.074,1295 0.967,1296 1.334,1297 1.35,1298 0.442,1299 1.392,1300 0.859,1301 0.798,1302 1.185,1303 1.193,1304 0.308,1305 1.193,1306 0.787,1307 0.659,1308 1.119,1309 1.033,1310 0.164,1311 1.079,1312 3.85,1314 5.231,1315 2.398,1316 6.821,1317 4.727,1318 8.518,1319 6.843,1320 10.272,1322 4.271,1326 6.509,1328 3.34,1331 1.644,1332 1.166,1340 23.96,1341 57.759,1342 137.363,1343 175.911,1344 181.911,1345 181.911,1346 181.911,1347 25.176,1348 7.451,1349 67.59,1350 92.89,1351 23,1352 12.697,1353 3.585,1354 2.807,1355 25.978,1356 52,1357 51,1358 0.267,1359 148.753,1360 246.13,1361 354.718,1362 15143,1364 13.853,1365 0.693,1366 0.627,1367 14.207,1368 12.55,1369 9.669,1370 0.42,1371 0.36,1372 7.098,1373 8.961,1374 6.723,1375 5.562,1376 10.227,1377 8.271,1378 9.189,1379 0.263,1380 0.193,1381 9.656,1382 6.772,1383 8.143,1384 0.16,1385 0.103,1386 8.643,1387 5.273,1388 7.845,1389 0.103,1390 0.058,1391 8.345,1392 4.406,1393 6.174,1394 0.062,1395 0.032,1396 6.62,1397 3.145,1398 0.391,1399 65.196,1400 0.255,1401 19.017,1402 0.823,1403 116,1404 257.796,1405 142.076,1406 279.958,1407 397.33,1408 264,1409 144,1410 295.828,1411 166.915,1412 314.849,1413 467.11,1414 295,1415 4.301}
{0 CHEMBL572865,1 1.412,2 7.3,3 5.455,4 29.761,5 83.942,6 8.692,7 0.478,8 3.663,9 3.761,10 3.384,11 3.382,12 4.638,13 3.32,14 4.253,15 4.401,16 3.849,17 3.858,18 5.186,19 3.772,20 4.587,21 4.77,22 4.012,23 4.063,24 5.5,25 3.938,26 4.652,27 4.883,28 4.008,29 3.993,30 5.554,31 3.839,32 4.445,33 4.657,34 3.677,35 3.808,36 5.343,37 3.631,38 4.235,39 4.475,40 3.655,41 3.587,42 5.127,43 3.404,44 4.015,45 4.246,46 2.993,47 3.304,48 4.869,49 3.09,50 3.658,51 3.921,52 2.769,53 2.904,54 4.484,55 2.669,56 0.009,57 0.424,58 5.576,59 3.036,60 3.647,61 4.217,62 0.035,63 0.775,64 12.591,65 5.985,66 9.364,67 8.247,68 0.109,69 1.083,70 22.208,71 8.788,72 19.739,73 11.832,74 0.253,75 1.13,76 30.456,77 10.171,78 31.287,79 13.54,80 0.219,81 0.885,82 28.692,83 8.336,84 26.005,85 10.709,86 0.156,87 0.722,88 23.217,89 7.204,90 21.547,91 9.653,92 0.148,93 0.568,94 19.595,95 5.657,96 19.895,97 7.329,98 0.072,99 0.387,100 13.092,101 4.241,102 11.246,103 5.638,104 10,105 35,106 0.258,107 0.63,108 0.814,109 0.881,110 0.881,111 0.881,112 3.061,113 1.02,114 -5.99,115 -5.84,116 -5.43,121 48.6,122 1,123 3,124 2,137 1,138 1,144 3,145 2,146 2,148 2,176 11,180 4,187 21,192 3,200 15,206 6,214 18,219 1,227 10,232 1,239 15,251 7,264 6,277 1,281 364,282 13.411,283 13.411,284 13.411,285 13.411,286 13.411,287 11.787,288 12.406,289 7.587,290 13.684,291 11.383,292 11.383,293 11.383,294 11.383,295 11.383,296 8.897,297 10.548,298 3.662,299 11.937,300 3.717,301 1.68,302 0.672,303 0.307,304 0.307,305 0.307,306 3.759,308 2,311 1,312 1,313 327,314 2.121,318 122.588,320 41.242,322 99.424,324 60.137,325 1.23,326 14.092,329 0.75,330 0.67,331 1,332 0.7,333 0.5,334 1,335 1,336 0.8,337 41.167,338 146,339 4.673,340 3.571,341 6.939,342 4.269,343 3.302,344 4.585,345 0.68,346 11.686,347 3.187,348 4.143,349 3.085,350 6.232,351 3.818,352 2.836,353 3.62,355 9.285,356 2.776,357 3.805,358 2.892,359 5.533,360 3.394,361 2.433,362 3.122,364 7.367,365 2.347,366 3.543,367 2.585,368 5.363,369 3.166,370 2.201,371 2.908,373 6.745,374 2.125,375 3.398,376 2.457,377 5.096,378 2.993,379 2.081,380 2.716,382 6.046,383 1.797,384 3.009,385 2.178,386 4.801,387 2.801,388 1.837,389 2.045,391 5.249,392 1.765,393 2.87,394 1.931,395 4.657,396 2.581,397 1.626,398 1.902,400 4.78,401 1.514,402 2.49,403 1.312,404 3.953,405 2.032,406 1.096,407 1.485,409 2.875,410 0.969,411 1.431,412 0.655,413 3.306,414 1.142,415 0.182,416 0.21,418 0.534,419 0.163,420 1.339,421 0.44,422 3,423 0.878,429 1.03,430 0.163,431 2.668,432 0.639,433 -0.245,434 -0.293,436 -0.613,437 -0.169,438 0.687,439 0.009,440 2.491,441 0.56,442 -0.399,443 -0.418,445 -1.016,446 -0.385,447 0.623,448 -0.508,449 2.343,450 0.223,451 -0.688,452 -0.856,454 -1.966,455 -0.614,456 0.352,457 -0.525,458 2.194,459 0.062,460 -0.912,461 -1.011,463 -2.74,464 -0.786,465 0.156,466 -0.852,467 1.916,468 -0.16,469 -1.123,470 -1.48,472 -3.102,473 -0.938,474 10.329,475 0.516,476 0.644,477 0.032,478 23.5,479 1.175,480 11,481 0.55,482 12.5,483 0.625,484 19.616,485 0.981,486 20.271,487 0.579,488 12.797,489 0.64,490 3.949,491 0.197,492 5.665,493 0.283,494 0.187,496 0.436,501 0.502,502 1.003,503 0.516,504 0.765,505 0.547,506 0.789,507 0.541,508 1.062,509 0.549,510 0.805,511 0.471,512 0.829,513 0.849,514 1.161,515 0.806,516 0.981,517 0.856,518 1.014,519 0.858,520 0.993,521 0.855,522 0.907,523 0.811,524 0.901,525 1.515,526 0.935,527 1.398,528 1.131,529 1.494,530 1.124,531 0.58,532 0.958,533 0.685,534 0.878,535 0.601,536 0.912,537 1.429,538 0.97,539 1.448,540 1.262,541 1.533,542 1.251,543 0.971,544 0.966,545 1.067,546 1.036,547 1.02,548 1.038,549 5,551 2,552 2.188,553 1.622,554 0.819,555 0.322,556 0.252,557 0.07,558 0.051,559 3521,560 9187,561 2.163,562 42.9,563 9,564 4,568 2,572 1.623,573 2,574 2.862,575 -0.836,582 49.435,583 1.412,584 3.449,585 4.458,586 4.822,587 4.822,588 4.822,589 2.461,590 3.546,591 4.297,592 2.934,593 557.498,594 7.366,595 5317.92,600 179.525,601 1.458,602 4.245,603 0.217,605 0.057,606 0.059,607 0.051,608 0.036,609 0.017,610 0.023,611 0.01,612 0.026,613 0.495,614 0.67,615 0.88,616 0.627,617 85.244,618 0.004,619 0.007,620 0.014,621 0.028,622 -0.002,623 0.044,624 0.043,625 -0.058,626 0.067,627 0.044,628 0.138,629 0.057,630 -0.043,631 -0.15,632 -0.029,633 -0.083,634 -0.05,635 -0.098,636 0.14,637 0.009,638 0.102,639 0.071,640 0.168,641 0.082,642 -0.26,643 0.048,644 -0.234,645 -0.132,646 -0.285,647 -0.153,648 0.255,649 -0.031,650 0.268,651 0.136,652 0.275,653 0.113,654 -0.268,655 -0.019,656 -0.304,657 -0.24,658 -0.372,659 -0.249,660 0.018,661 -0.07,662 0.053,663 0.039,664 0.008,665 0.031,666 0.951,667 2.591,668 0.85,669 10.84,670 0.995,671 1.106,672 4.757,673 22.629,674 0.738,675 3.178,676 3.584,677 3.912,678 4.29,679 4.605,680 4.804,681 4.942,682 5.153,683 5.182,684 5.257,685 4.302,686 0.683,687 304.23,688 3.178,689 4.762,690 5.652,691 6.581,692 7.487,693 8.421,694 9.334,695 10.27,696 11.185,697 12.123,698 2.9,708 1,714 2,715 3,716 1,720 4,722 11,740 2,741 35,743 12,744 1,745 23,747 38,748 17,749 9,750 3,751 3,756 4,757 10,758 2,763 1,767 3,768 2,770 3,772 11,773 6,774 2,777 1,784 1,786 1,793 15,794 1,796 3,797 2,802 1,808 0.25,822 1,829 4,831 1,833 2,835 1,849 1,850 1,859 1,864 1,865 2,868 20,876 3,880 2,892 2,901 10,902 6.736,903 4.139,904 2.31,907 2.745,908 1.368,909 1.033,910 2.834,911 10.201,912 3.418,913 4.103,914 4.727,915 5.382,916 6.012,917 6.445,918 6.857,919 7.325,920 7.675,921 7.84,922 1,923 37,924 7.417,926 3.3,927 0.026,929 7.503,931 14.703,933 13.221,936 2.003,937 40.056,938 0.002,941 176.567,942 75.18,943 16.786,944 78.297,948 75.18,949 254.864,950 16.786,951 8.825,952 7.604,953 37.905,954 16.786,955 20.846,957 176.567,958 78.297,959 176.567,960 91.966,962 78.297,964 176.567,968 21.33,969 44.374,970 104.559,972 176.567,973 16.786,974 153.477,977 176.567,978 28.45,979 46.73,981 95.083,982 176.567,983 16.786,984 153.477,986 0.604,987 0.355,988 0.208,989 0.12,990 21,991 9,994 4,995 1.412,996 3.147,997 169.942,998 0.471,999 16,1000 86.439,1005 12.671,1006 4.473,1007 1.993,1008 1.947,1009 16.786,1010 5.793,1011 4.847,1015 4.063,1018 346.829,1019 29.5,1026 2.414,1028 1.49,1031 34.818,1032 38.708,1034 0.275,1035 0.672,1036 0.869,1037 0.94,1038 0.94,1039 0.94,1040 4.707,1041 1.096,1042 5.68,1043 4.78,1044 4.263,1045 4.787,1046 0.655,1047 6.564,1048 4.175,1049 5.951,1050 0.182,1051 7.28,1052 2.875,1053 4.007,1054 4.783,1056 7.545,1057 3.842,1058 7.294,1060 8.974,1061 0.534,1062 5.927,1063 7.07,1064 0.356,1065 10.703,1066 5.785,1067 8.666,1068 -0.245,1069 10.721,1071 6.415,1072 7.846,1074 12.497,1075 6.203,1076 10.068,1077 -0.399,1078 12.504,1079 -0.613,1080 7.869,1081 9.67,1082 0.18,1083 15.199,1084 7.672,1085 11.491,1086 -0.688,1087 14.314,1088 -1.016,1089 8.721,1090 10.83,1092 17.365,1093 8.465,1094 12.932,1095 -0.912,1096 16.144,1097 -1.966,1098 9.994,1099 12.468,1100 0.087,1101 19.904,1102 9.734,1103 3.302,1104 -1.123,1105 17.991,1106 -2.74,1107 11.024,1108 13.819,1110 22.234,1111 10.714,1112 2.836,1113 11.686,1114 19.851,1115 -3.102,1116 12.229,1117 15.382,1118 0.041,1119 24.714,1120 11.901,1121 2.433,1122 9.285,1123 21.724,1124 4.585,1125 13.341,1126 16.824,1128 27.115,1129 12.969,1130 2.201,1131 7.367,1132 23.606,1133 3.62,1134 14.525,1135 18.358,1136 0.019,1137 29.575,1138 14.126,1139 2.081,1140 6.745,1141 25.497,1142 3.122,1143 15.676,1144 19.842,1146 32.006,1147 15.236,1148 1.837,1149 6.046,1150 27.394,1151 2.908,1152 16.856,1153 21.367,1154 0.009,1155 34.462,1156 16.384,1157 1.626,1158 5.249,1159 29.297,1160 2.716,1161 18.025,1162 22.87,1164 36.906,1165 17.515,1166 3338,1167 5506,1168 15.433,1169 25.813,1170 35.747,1171 36.543,1172 36.981,1173 35.489,1174 35.189,1175 45.184,1176 1.36,1177 109.137,1178 33.287,1179 5.626,1180 5.571,1181 6.224,1182 5.312,1183 5.302,1184 7.585,1185 1.36,1186 19.262,1187 5.187,1188 9.098,1189 1.554,1190 1.589,1191 1.608,1192 1.543,1193 1.53,1194 1.965,1195 0.059,1196 4.745,1197 1.447,1198 4.131,1199 4.155,1200 4.191,1201 4.075,1202 5.084,1203 4.074,1204 3.873,1205 3.905,1206 3.874,1207 3.813,1208 4.776,1209 3.802,1210 3.465,1211 3.508,1212 3.694,1213 3.393,1214 4.506,1215 3.38,1216 3.237,1217 3.283,1218 3.322,1219 3.143,1220 4.399,1221 3.121,1222 3.138,1223 3.216,1224 3.173,1225 2.989,1226 4.064,1227 2.973,1228 2.948,1229 3.001,1230 2.942,1231 2.834,1232 3.813,1233 2.822,1234 2.708,1235 2.793,1236 2.901,1237 2.603,1238 3.536,1239 2.582,1240 2.662,1241 2.765,1242 2.607,1243 2.434,1244 3.44,1245 2.39,1246 0.203,1247 0.155,1248 0.302,1249 0.186,1250 0.144,1251 4.673,1252 0.199,1253 3.571,1254 0.03,1255 6.939,1256 0.508,1257 4.269,1258 0.139,1259 3.302,1260 4.585,1261 0.68,1262 11.686,1263 3.187,1264 2.091,1265 2.07,1266 2.177,1267 2.167,1268 1.532,1269 2.175,1270 1.879,1271 1.85,1272 1.989,1273 1.963,1274 1.17,1275 1.981,1276 1.465,1277 1.425,1278 1.69,1279 1.601,1280 0.918,1281 1.635,1282 1.241,1283 1.195,1284 1.484,1285 1.379,1286 0.77,1287 1.419,1288 1.147,1289 1.075,1290 1.362,1291 1.336,1292 0.581,1293 1.363,1294 0.938,1295 0.888,1296 1.174,1297 1.091,1298 0.372,1299 1.124,1300 0.732,1301 0.667,1302 1.138,1303 1,1304 0.216,1305 1.063,1306 0.709,1307 0.597,1308 0.996,1309 0.896,1310 0.16,1311 0.944,1312 3.85,1314 5.231,1316 6.821,1318 8.518,1320 10.271,1322 2.228,1323 12.779,1328 3.334,1332 1.162,1340 23.891,1341 49.435,1342 120.716,1343 156.015,1344 168.77,1345 168.77,1346 168.77,1347 25.819,1348 7.456,1349 12.89,1350 12.89,1351 24,1352 12.624,1353 3.7,1354 2.907,1355 26.016,1356 54,1357 50,1358 0.261,1359 150.162,1360 257,1361 358.156,1362 15563,1363 5.7,1364 13.853,1365 0.693,1366 0.64,1367 14.853,1368 12.8,1369 9.614,1370 0.418,1371 0.34,1372 7.109,1373 8.968,1374 6.817,1375 5.581,1376 10.192,1377 7.82,1378 9.448,1379 0.27,1380 0.196,1381 10.19,1382 6.876,1383 7.993,1384 0.163,1385 0.106,1386 8.662,1387 5.181,1388 7.551,1389 0.105,1390 0.061,1391 8.277,1392 4.407,1393 6.224,1394 0.063,1395 0.032,1396 6.74,1397 3.214,1398 0.384,1399 64.444,1400 0.255,1401 19.105,1402 0.797,1403 116,1404 262.052,1405 149.093,1406 323.862,1407 434.67,1408 302,1409 142,1410 282.542,1411 167.752,1412 311.229,1413 462.83,1414 294,1415 4.65}
{0 CHEMBL572866,1 1.391,2 8,3 5.912,4 34.947,5 88.543,6 8.375,7 0.458,8 3.734,9 3.838,10 3.423,11 3.44,12 4.687,13 3.373,14 4.331,15 4.487,16 3.877,17 3.913,18 5.237,19 3.819,20 4.668,21 4.867,22 4.05,23 4.118,24 5.546,25 3.989,26 4.707,27 4.928,28 4.053,29 4.068,30 5.603,31 3.915,32 4.596,33 4.825,34 3.761,35 3.932,36 5.435,37 3.751,38 4.421,39 4.663,40 3.728,41 3.752,42 5.255,43 3.559,44 4.276,45 4.542,46 3.227,47 3.497,48 5.069,49 3.277,50 3.883,51 4.136,52 2.948,53 3.125,54 4.754,55 2.898,56 0.015,57 0.467,58 6.635,59 3.451,60 3.906,61 4.814,62 0.046,63 0.851,64 14.619,65 6.737,66 10.28,67 9.328,68 0.133,69 1.182,70 25.737,71 9.9,72 20.763,73 13.447,74 0.253,75 1.192,76 31.17,77 10.604,78 30.67,79 14.261,80 0.238,81 1.038,82 32.741,83 9.907,84 27.458,85 13.001,86 0.169,87 0.879,88 26.402,89 8.633,90 21.539,91 11.674,92 0.16,93 0.749,94 24.244,95 7.589,96 22.431,97 10.088,98 0.139,99 0.482,100 18.411,101 5.089,102 16.946,103 6.565,104 11,105 36,106 0.25,107 0.604,108 0.796,109 0.882,110 0.882,111 0.882,112 3.106,113 1.048,114 -6.21,115 -6.06,116 -5.63,121 47.4,122 1,123 4,124 2,137 1,138 1,144 3,145 2,146 2,148 2,176 12,180 4,187 22,192 3,200 17,206 6,214 20,219 1,227 13,232 1,239 15,244 1,251 9,264 7,277 3,281 445,282 14.282,283 14.282,284 14.282,285 14.282,286 14.282,287 12.709,288 13.619,289 8.094,290 14.555,291 11.81,292 11.81,293 11.81,294 11.81,295 11.81,296 9.314,297 12.018,298 3.816,299 12.364,300 3.856,301 1.885,302 0.816,303 0.336,304 0.336,305 0.336,306 3.805,308 2,312 1,313 373,314 2.345,318 132.296,320 44.058,322 107.771,324 64.707,325 1.238,326 14.413,329 0.75,330 0.83,331 1,332 0.7,333 0.5,334 1,335 1,336 0.83,337 43.167,338 168,339 4.673,340 3.573,341 6.94,342 4.27,343 3.303,344 4.585,345 0.68,346 11.688,347 3.19,348 4.151,349 3.107,350 6.235,351 3.829,352 2.846,353 3.622,355 9.304,356 2.786,357 3.839,358 2.909,359 5.596,360 3.432,361 2.464,362 3.164,364 7.576,365 2.393,366 3.553,367 2.636,368 5.391,369 3.19,370 2.23,371 2.92,373 6.845,374 2.145,375 3.399,376 2.458,377 5.096,378 2.998,379 2.085,380 2.717,382 6.046,383 1.833,384 3.04,385 2.196,386 4.894,387 2.854,388 1.885,389 2.073,391 5.55,392 1.792,393 2.886,394 1.968,395 4.774,396 2.603,397 1.657,398 1.929,400 4.952,401 1.527,402 2.491,403 1.312,404 3.954,405 2.032,406 1.096,407 1.485,409 2.875,410 0.97,411 1.584,412 0.711,413 3.307,414 1.435,415 0.436,416 0.461,418 0.641,419 0.435,420 1.399,421 0.586,422 3,423 1.142,424 0.182,425 0.21,427 0.534,428 0.163,429 1.338,430 0.44,431 2.818,432 0.877,438 1.016,439 0.161,440 2.643,441 0.613,442 -0.248,443 -0.302,445 -0.617,446 -0.169,447 0.682,448 -0.432,449 2.444,450 0.356,451 -0.585,452 -0.653,454 -1.571,455 -0.53,456 0.354,457 -0.514,458 2.34,459 0.142,460 -0.799,461 -0.914,463 -2.162,464 -0.74,465 0.325,466 -0.657,467 2,468 0.047,469 -0.938,470 -1.089,472 -2.788,473 -0.823,474 10.829,475 0.516,476 0.606,477 0.029,478 24,479 1.143,480 11,481 0.524,482 13,483 0.619,484 21.492,485 1.023,486 21.571,487 0.568,488 13.093,489 0.623,490 3.911,491 0.186,492 6.241,493 0.297,494 0.178,496 0.416,501 0.508,502 1.028,503 0.537,504 0.797,505 0.55,506 0.823,507 0.544,508 1.084,509 0.568,510 0.836,511 0.486,512 0.862,513 0.828,514 1.087,515 0.773,516 0.915,517 0.806,518 0.941,519 0.88,520 1.065,521 0.892,522 0.972,523 0.852,524 0.97,525 1.379,526 0.894,527 1.272,528 1.051,529 1.332,530 1.047,531 0.544,532 1.042,533 0.694,534 0.957,535 0.621,536 0.999,537 1.098,538 0.926,539 1.113,540 1.036,541 1.154,542 1.028,543 1.638,544 0.857,545 1.506,546 1.114,547 1.604,548 1.088,549 5,550 0.029,551 2,552 2.188,553 1.662,554 0.91,555 0.402,556 0.267,557 0.09,558 0.061,559 4022,560 10066,561 2.155,562 44.7,563 11,564 4,568 2,572 1.637,573 2,574 2.97,575 -0.844,582 52.876,583 1.391,584 3.363,585 4.432,586 4.912,587 4.912,588 4.912,589 2.489,590 4.202,591 4.363,592 3.04,593 638.448,594 7.501,595 6315.56,600 199.421,601 1.449,602 4.318,603 0.208,604 0.014,605 0.056,606 0.056,607 0.049,608 0.035,609 0.019,610 0.019,611 0.01,612 0.015,613 0.482,614 0.67,615 0.88,616 0.819,617 91.661,618 0.006,619 0.008,620 0.016,621 0.029,622 0.005,623 0.045,624 0.046,625 -0.065,626 0.064,627 0.034,628 0.13,629 0.046,630 -0.016,631 -0.071,632 0.02,633 0.002,634 0.004,635 -0.005,636 0.125,637 -0.063,638 0.055,639 -0.014,640 0.13,641 -0.009,642 -0.199,643 0.084,644 -0.16,645 -0.054,646 -0.191,647 -0.068,648 0.219,649 -0.109,650 0.195,651 0.031,652 0.186,653 0.005,654 -0.085,655 0.018,656 -0.063,657 -0.014,658 -0.123,659 -0.009,660 -0.23,661 0.087,662 -0.18,663 -0.056,664 -0.231,665 -0.072,666 0.949,667 2.634,668 0.81,669 12.98,670 0.992,671 1.109,672 4.985,673 24.846,674 0.726,675 3.219,676 3.611,677 3.951,678 4.317,679 4.644,680 4.844,681 5.011,682 5.209,683 5.283,684 5.338,685 4.565,686 0.669,687 318.26,688 3.219,689 4.796,690 5.687,691 6.611,692 7.519,693 8.45,694 9.365,695 10.299,696 11.216,697 12.152,698 2.6,708 1,714 2,715 3,716 1,720 4,722 11,740 2,741 38,743 12,744 1,745 24,747 41,748 18,749 9,750 3,751 3,756 4,757 10,758 2,763 1,767 3,768 2,770 4,772 11,773 7,774 2,777 1,784 1,786 1,793 17,794 1,796 3,797 2,802 1,808 0.25,822 1,829 4,831 1,833 2,835 1,849 1,850 1,859 1,864 1,865 2,868 21,876 4,880 2,892 2,901 10.5,902 7.236,903 4.472,904 2.685,907 2.751,908 1.364,909 1.023,910 3.236,911 10.313,912 3.45,913 4.119,914 4.754,915 5.396,916 6.026,917 6.457,918 6.877,919 7.345,920 7.71,921 7.886,922 0.833,923 39,924 7.796,926 3.443,927 0.026,929 7.479,931 15.519,933 13.883,936 1.979,937 41.556,938 0.001,941 200.109,942 77.715,943 16.786,944 78.297,948 77.715,949 278.406,950 16.786,951 8.825,952 10.138,953 37.905,954 16.786,955 20.846,957 200.109,958 78.297,959 200.109,960 94.5,962 78.297,964 200.109,968 23.864,969 44.374,970 104.559,972 200.109,973 16.786,974 156.012,977 200.109,978 30.984,979 46.73,981 95.083,982 200.109,983 16.786,984 156.012,986 0.596,987 0.359,988 0.206,989 0.121,990 21,991 9,992 0.024,993 1,994 4,995 1.412,996 3.238,997 180.343,998 0.471,999 16,1000 92.239,1005 13.6,1006 4.998,1007 2.182,1008 1.955,1009 16.786,1010 5.813,1011 4.873,1015 4.09,1018 372.906,1019 30.5,1026 2.469,1028 1.578,1031 37.702,1032 42.123,1034 0.265,1035 0.641,1036 0.844,1037 0.936,1038 0.936,1039 0.936,1040 4.734,1041 1.096,1042 5.707,1043 4.952,1044 4.29,1045 4.804,1046 0.655,1047 6.589,1048 4.205,1049 5.969,1050 0.436,1051 7.306,1052 2.875,1053 4.007,1054 4.783,1056 7.573,1057 3.842,1058 7.31,1059 0.182,1060 8.999,1061 0.641,1062 5.953,1063 7.082,1064 0.356,1065 10.726,1066 5.816,1067 8.681,1069 10.746,1070 0.534,1071 6.431,1072 7.854,1074 12.519,1075 6.223,1076 10.083,1077 -0.248,1078 12.528,1080 7.892,1081 9.678,1082 0.18,1083 15.216,1084 7.701,1085 11.506,1086 -0.585,1087 14.337,1088 -0.617,1089 8.74,1090 10.837,1092 17.379,1093 8.488,1094 12.947,1095 -0.799,1096 16.165,1097 -1.571,1098 10.014,1099 12.474,1100 0.087,1101 19.914,1102 9.76,1103 3.303,1104 -0.938,1105 18.01,1106 -2.162,1107 11.04,1108 13.824,1110 22.243,1111 10.736,1112 2.846,1113 11.688,1114 19.869,1115 -2.788,1116 12.245,1117 15.386,1118 0.041,1119 24.721,1120 11.924,1121 2.464,1122 9.304,1123 21.74,1124 4.585,1125 13.356,1126 16.827,1128 27.121,1129 12.99,1130 2.23,1131 7.576,1132 23.621,1133 3.622,1134 14.539,1135 18.361,1136 0.019,1137 29.581,1138 14.147,1139 2.085,1140 6.845,1141 25.51,1142 3.164,1143 15.689,1144 19.844,1146 32.011,1147 15.256,1148 1.885,1149 6.046,1150 27.405,1151 2.92,1152 16.868,1153 21.368,1154 0.009,1155 34.467,1156 16.404,1157 1.657,1158 5.55,1159 29.307,1160 2.717,1161 18.037,1162 22.872,1164 36.911,1165 17.534,1166 3837,1167 6208,1168 16.126,1169 27.574,1170 36.748,1171 37.817,1172 38.372,1173 36.737,1174 36.368,1175 46.333,1176 1.36,1177 112.025,1178 34.465,1179 5.628,1180 5.573,1181 6.473,1182 5.313,1183 5.303,1184 7.585,1185 1.36,1186 19.265,1187 5.19,1188 9.56,1189 1.531,1190 1.576,1191 1.599,1192 1.531,1193 1.515,1194 1.931,1195 0.057,1196 4.668,1197 1.436,1198 4.133,1199 4.157,1200 4.191,1201 4.077,1202 5.084,1203 4.075,1204 3.881,1205 3.913,1206 3.878,1207 3.821,1208 4.776,1209 3.81,1210 3.533,1211 3.589,1212 3.704,1213 3.444,1214 4.501,1215 3.429,1216 3.281,1217 3.326,1218 3.354,1219 3.193,1220 4.393,1221 3.169,1222 3.206,1223 3.274,1224 3.229,1225 3.06,1226 4.075,1227 3.046,1228 2.952,1229 3.017,1230 2.998,1231 2.835,1232 3.915,1233 2.822,1234 2.901,1235 2.972,1236 2.917,1237 2.76,1238 3.596,1239 2.737,1240 2.706,1241 2.781,1242 2.721,1243 2.579,1244 3.523,1245 2.555,1246 0.195,1247 0.149,1248 0.289,1249 0.178,1250 0.138,1251 4.673,1252 0.191,1253 3.573,1254 0.028,1255 6.94,1256 0.487,1257 4.27,1258 0.133,1259 3.303,1260 4.585,1261 0.68,1262 11.688,1263 3.19,1264 2.092,1265 2.071,1266 2.18,1267 2.168,1268 1.539,1269 2.176,1270 1.887,1271 1.857,1272 1.997,1273 1.971,1274 1.183,1275 1.989,1276 1.547,1277 1.495,1278 1.805,1279 1.702,1280 1.036,1281 1.742,1282 1.271,1283 1.233,1284 1.52,1285 1.427,1286 0.849,1287 1.46,1288 1.223,1289 1.152,1290 1.395,1291 1.367,1292 0.604,1293 1.395,1294 0.948,1295 0.889,1296 1.277,1297 1.157,1298 0.502,1299 1.202,1300 0.922,1301 0.854,1302 1.14,1303 1.077,1304 0.247,1305 1.111,1306 0.73,1307 0.663,1308 1.037,1309 0.926,1310 0.194,1311 0.978,1312 3.892,1314 5.263,1316 6.849,1318 8.543,1320 10.293,1322 2.246,1323 12.841,1328 4.519,1332 1.171,1340 25.418,1341 52.876,1342 127.806,1343 168.402,1344 186.666,1345 186.666,1346 186.666,1347 27.972,1348 7.563,1349 12.89,1350 12.89,1351 24,1352 12.654,1353 3.7,1354 2.907,1355 27.865,1356 59,1357 61,1358 0.251,1359 159.755,1360 274.3,1361 381.561,1362 17752,1363 5.3,1364 14.56,1365 0.693,1366 0.643,1367 15.56,1368 13.508,1369 10.152,1370 0.423,1371 0.349,1372 7.67,1373 9.506,1374 7.383,1375 6.05,1376 10.73,1377 8.381,1378 9.618,1379 0.267,1380 0.196,1381 10.359,1382 7.041,1383 8.432,1384 0.165,1385 0.108,1386 9.101,1387 5.526,1388 7.698,1389 0.104,1390 0.061,1391 8.425,1392 4.528,1393 6.543,1394 0.064,1395 0.034,1396 7.059,1397 3.463,1398 0.373,1399 67.672,1400 0.249,1401 20.058,1402 0.757,1403 120,1404 266.052,1405 153.093,1406 327.552,1407 441.33,1408 306,1409 147,1410 288.542,1411 172.752,1412 316.284,1413 471.78,1414 300,1415 4.717}
{0 CHEMBL573094,1 1.408,2 8.958,3 3.803,4 14.466,5 96.56,6 6.76,7 0.407,8 3.964,9 4.084,10 3.462,11 3.513,12 4.969,13 3.476,14 4.546,15 4.724,16 3.847,17 3.955,18 5.437,19 3.896,20 4.799,21 4.989,22 4.023,23 4.172,24 5.712,25 4.089,26 4.931,27 5.151,28 3.984,29 4.196,30 5.835,31 4.086,32 4.982,33 5.232,34 3.817,35 4.137,36 5.846,37 3.999,38 4.885,39 5.162,40 3.631,41 4.002,42 5.663,43 3.835,44 4.713,45 4.987,46 3.422,47 3.773,48 5.528,49 3.623,50 4.481,51 4.732,52 3.161,53 3.53,54 5.315,55 3.388,56 0.044,57 0.67,58 11.142,59 4.817,60 9.917,61 6.46,62 0.171,63 1.112,64 20.987,65 8.432,66 17.918,67 11.438,68 0.259,69 1.46,70 26.98,71 10.7,72 25.307,73 15.03,74 0.272,75 1.626,76 31.29,77 11.787,78 34.14,79 16.898,80 0.446,81 1.622,82 33.931,83 11.677,84 45.724,85 17.03,86 0.271,87 1.422,88 30.625,89 11.42,90 33.334,91 16.651,92 0.289,93 1.177,94 26.274,95 8.757,96 33.806,97 12.788,98 0.283,99 0.9,100 20.991,101 6.894,102 29.029,103 9.659,104 26,105 40,106 0.241,107 0.591,108 0.778,109 0.833,110 0.84,111 0.848,112 3.23,113 0.964,114 -3.96,115 -3.91,116 -3.71,121 41.7,122 1,123 4,124 2,126 2,137 1,138 1,144 2,145 2,146 3,148 2,165 1,166 1,167 1,176 11,180 6,185 2,187 16,189 2,191 1,192 6,197 2,200 14,203 2,205 1,206 4,208 1,209 1,211 4,214 13,216 4,218 1,219 2,221 1,222 1,224 2,227 10,229 2,232 4,234 1,235 1,237 2,239 7,241 2,244 6,249 1,251 4,253 1,256 5,264 2,269 3,277 1,281 626,282 16.522,283 16.522,284 16.522,285 16.522,286 16.522,287 15.002,288 20.325,289 9.314,290 16.931,291 13.153,292 13.153,293 13.153,294 13.153,295 13.153,296 10.556,297 20.556,298 4.194,299 13.634,300 4.177,301 2.13,302 1.037,303 0.714,304 0.672,305 0.631,306 3.928,310 1,311 1,312 1,313 469,314 2.828,318 164.424,320 57.056,322 131.551,324 81.393,325 1.382,326 18.28,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 51,338 215,339 4.695,340 3.504,341 6.947,342 4.3,343 3.316,344 4.618,345 0.86,346 11.721,347 3.264,348 4.248,349 3.221,350 6.349,351 3.921,352 2.947,353 3.765,354 0.86,355 9.735,356 2.876,357 3.941,358 2.95,359 5.963,360 3.594,361 2.626,362 3.264,363 0.68,364 8.379,365 2.535,366 3.666,367 2.571,368 5.571,369 3.264,370 2.284,371 3.024,373 7.417,374 2.227,375 3.515,376 2.478,377 5.385,378 3.193,379 2.217,380 2.893,382 6.846,383 2.162,384 3.07,385 2.231,386 5.004,387 2.891,388 1.917,389 2.131,391 5.751,392 1.863,393 2.949,394 2.068,395 4.869,396 2.722,397 1.742,398 1.993,400 5.276,401 1.705,402 2.709,403 1.818,404 4.445,405 2.402,406 1.491,407 1.739,409 4.091,410 1.35,411 1.954,412 1.083,413 3.628,414 1.648,415 0.739,416 0.866,418 1.679,419 0.664,420 1.574,421 0.989,422 3.261,423 1.436,424 0.438,425 0.463,427 0.646,428 0.437,429 1.545,430 0.653,431 2.951,432 1.248,433 0.388,434 0.428,436 0.588,437 0.33,438 1.296,439 0.494,440 2.818,441 1.104,442 0.131,443 0.146,445 0.343,446 0.127,447 1.267,448 0.255,449 2.702,450 0.927,456 0.878,457 -0.096,458 2.552,459 0.567,460 -0.381,461 -0.448,463 -0.877,464 -0.357,465 0.624,466 -0.477,467 2.418,468 0.302,469 -0.674,470 -0.74,472 -1.689,473 -0.652,474 11.467,475 0.478,476 0.619,477 0.026,478 27.75,479 1.156,480 12.5,481 0.521,482 15.25,483 0.635,484 23.627,485 0.984,486 26.333,487 0.549,488 18.737,489 0.781,490 4.972,491 0.207,492 6.666,493 0.278,494 0.166,496 0.436,501 0.907,502 1.175,503 0.874,504 1.098,505 1.025,506 0.994,507 1.168,508 0.975,509 0.846,510 0.872,511 0.842,512 0.835,513 0.728,514 1.185,515 0.924,516 1.08,517 0.759,518 1.032,519 0.77,520 1.238,521 1.018,522 1.171,523 0.923,524 1.129,525 1.068,526 0.997,527 1.134,528 1.006,529 1.282,530 1.058,531 0.644,532 1.033,533 0.916,534 1.035,535 0.731,536 1.012,537 1.239,538 0.924,539 1.072,540 0.938,541 1.395,542 0.967,543 1.791,544 0.908,545 1.292,546 1.005,547 1.744,548 1.072,549 5.5,550 0.07,551 2.444,552 2.375,553 2.093,554 1.118,555 0.647,556 0.339,557 0.197,558 0.148,559 5649,560 11869,561 2.11,562 50,563 11,564 9,567 2,568 2,572 1.674,573 1.946,574 3.135,575 0.214,577 1,582 67.601,583 1.408,584 3.455,585 4.548,586 4.871,587 4.913,588 4.954,589 2.669,590 4.085,591 4.554,592 3.218,593 888.127,594 7.888,595 9756.87,597 1,599 1,600 268.078,601 1.483,602 4.504,603 0.204,604 0.012,605 0.061,606 0.052,607 0.05,608 0.033,609 0.023,610 0.015,611 0.012,612 0.013,613 0.475,614 0.67,615 1,616 0.997,617 110.754,618 -0.023,619 0.011,620 0.065,621 0.012,622 -0.051,623 0.048,624 -0.085,625 0.092,626 0.127,627 0.186,628 0.038,629 0.179,630 0.11,631 -0.098,632 0.027,633 -0.038,634 0.096,635 -0.019,636 0.062,637 -0.177,638 -0.06,639 -0.17,640 0.073,641 -0.139,642 -0.04,643 0.03,644 -0.145,645 -0.056,646 -0.091,647 -0.103,648 0.087,649 -0.085,650 0.041,651 -0.061,652 0.107,653 -0.023,654 -0.122,655 0.046,656 -0.067,657 -0.011,658 -0.181,659 -0.024,660 -0.264,661 0.051,662 -0.254,663 -0.076,664 -0.363,665 -0.145,666 0.971,667 2.621,668 0.708,669 17.611,670 0.991,671 1.125,672 2.728,673 7.443,674 0.652,675 3.332,676 3.714,677 4.078,678 4.431,679 4.762,680 4.977,681 5.176,682 5.371,683 5.513,684 5.576,685 5.119,686 0.61,687 324.46,688 3.332,689 4.905,690 5.802,691 6.725,692 7.64,693 8.57,694 9.491,695 10.425,696 11.349,697 12.285,698 4.2,702 1,708 1,714 2,715 2,716 1,720 5,722 11,733 1,739 2,741 48,743 12,744 1,745 27,747 51,748 20,749 9,750 4,751 2,756 4,757 10,763 1,767 3,768 2,770 4,772 11,773 9,774 2,777 1,784 1,786 1,790 1,793 24,794 4,795 2,796 4,802 2,808 0.25,809 2,822 1,829 4,831 1,833 2,835 1,849 1,850 1,859 1,864 3,868 24,869 1,876 4,878 2,880 2,893 4.2,898 2,901 12.333,902 9.533,903 5.333,904 3.065,907 2.738,908 1.349,909 0.993,910 3.917,911 10.58,912 3.541,913 4.197,914 4.852,915 5.492,916 6.141,917 6.609,918 7.069,919 7.528,920 7.941,921 8.125,922 1,923 46,924 8.901,926 3.832,927 0.026,929 7.5,931 17.584,933 15.191,936 2,937 48,940 1,941 258.964,942 96.247,943 49.683,945 22,948 96.247,949 280.964,950 49.683,951 30.591,952 10.138,953 61.326,954 16.786,955 49.088,957 258.964,959 258.964,960 145.93,961 22,964 258.964,965 22,968 23.864,969 95.804,970 26.262,972 258.964,973 71.682,974 96.247,977 258.964,978 37.227,979 59.02,981 71.682,982 258.964,983 71.682,984 96.247,986 0.586,987 0.371,988 0.213,989 0.122,990 22,991 10,992 0.059,993 3,994 4,995 1.412,996 3.446,997 215.267,998 0.471,999 16,1000 110.039,1005 15.768,1006 5.961,1007 2.498,1008 1.862,1009 71.682,1010 3.894,1011 4.949,1015 4.701,1017 32.897,1018 426.894,1019 33.5,1026 2.468,1028 1.564,1031 47.578,1032 53.983,1034 0.252,1035 0.619,1036 0.814,1037 0.872,1038 0.88,1039 0.887,1040 4.826,1041 1.491,1042 5.82,1043 5.276,1044 4.394,1045 4.883,1046 1.586,1047 6.713,1048 4.336,1049 6.057,1050 0.739,1051 7.428,1052 4.091,1053 4.111,1054 4.89,1056 7.727,1057 4.04,1058 7.402,1059 0.438,1060 9.131,1061 1.679,1062 6.071,1063 7.17,1064 1.285,1065 10.871,1066 5.974,1067 8.781,1068 0.388,1069 10.886,1070 0.646,1071 6.567,1072 7.975,1074 12.671,1075 6.452,1076 10.19,1077 0.131,1078 12.675,1079 0.588,1080 8.023,1081 9.778,1082 1.035,1083 15.354,1084 7.894,1085 11.62,1087 14.488,1088 0.343,1089 8.883,1090 10.956,1092 17.51,1093 8.734,1094 13.067,1095 -0.381,1096 16.318,1098 10.152,1099 12.581,1100 0.828,1101 20.034,1102 9.991,1103 3.316,1104 -0.674,1105 18.164,1106 -0.877,1107 11.184,1108 13.941,1110 22.352,1111 11.005,1112 2.947,1113 11.721,1114 20.021,1115 -1.689,1116 12.384,1117 15.498,1118 0.656,1119 24.822,1120 12.194,1121 2.626,1122 9.735,1123 21.888,1124 4.618,1125 13.496,1126 16.944,1128 27.214,1129 13.289,1130 2.284,1131 8.379,1132 23.764,1133 3.765,1134 14.676,1135 18.477,1136 0.515,1137 29.668,1138 14.456,1139 2.217,1140 7.417,1141 25.648,1142 3.264,1143 15.825,1144 19.965,1146 32.093,1147 15.59,1148 1.917,1149 6.846,1150 27.538,1151 3.024,1152 17.002,1153 21.491,1154 0.401,1155 34.544,1156 16.753,1157 1.742,1158 5.751,1159 29.434,1160 2.893,1161 18.169,1162 22.999,1164 36.986,1165 17.906,1166 5469,1167 8047,1168 17.918,1169 31.296,1170 40.595,1171 41.682,1172 43.584,1173 40.424,1174 40.474,1175 50.659,1176 4.8,1177 124.941,1178 39.081,1179 5.65,1180 5.504,1181 6.489,1182 5.344,1183 5.316,1184 7.618,1185 1.72,1186 19.302,1187 5.264,1188 12.246,1189 1.504,1190 1.544,1191 1.614,1192 1.497,1193 1.499,1194 1.876,1195 0.178,1196 4.627,1197 1.447,1198 4.141,1199 4.167,1200 4.104,1201 4.068,1202 5.156,1203 4.073,1204 3.889,1205 3.918,1206 3.812,1207 3.814,1208 4.887,1209 3.81,1210 3.566,1211 3.611,1212 3.476,1213 3.44,1214 4.626,1215 3.439,1216 3.375,1217 3.438,1218 3.214,1219 3.197,1220 4.494,1221 3.195,1222 3.262,1223 3.328,1224 3.112,1225 3.068,1226 4.419,1227 3.062,1228 3.205,1229 3.284,1230 3.015,1231 2.952,1232 4.028,1233 2.956,1234 3.097,1235 3.186,1236 2.888,1237 2.889,1238 3.86,1239 2.877,1240 2.962,1241 3.05,1242 2.802,1243 2.772,1244 3.649,1245 2.767,1246 0.174,1247 0.13,1248 0.257,1249 0.159,1250 0.123,1251 4.695,1252 0.171,1253 3.504,1254 0.032,1255 6.947,1256 0.434,1257 4.3,1258 0.121,1259 3.316,1260 4.618,1261 0.86,1262 11.721,1263 3.264,1264 2.094,1265 2.071,1266 2.187,1267 2.184,1268 1.539,1269 2.184,1270 1.885,1271 1.858,1272 2.001,1273 1.989,1274 1.187,1275 1.997,1276 1.552,1277 1.505,1278 1.807,1279 1.726,1280 1.037,1281 1.752,1282 1.34,1283 1.289,1284 1.601,1285 1.589,1286 0.85,1287 1.596,1288 1.233,1289 1.164,1290 1.576,1291 1.526,1292 0.644,1293 1.541,1294 1.187,1295 1.109,1296 1.518,1297 1.429,1298 0.575,1299 1.459,1300 1.1,1301 1.018,1302 1.402,1303 1.347,1304 0.527,1305 1.376,1306 0.939,1307 0.865,1308 1.273,1309 1.186,1310 0.501,1311 1.205,1312 4.007,1314 5.371,1316 6.957,1318 8.653,1320 10.406,1322 5.537,1326 6.621,1328 4.434,1330 10.858,1332 1.111,1340 29.267,1341 67.601,1342 165.858,1343 218.304,1344 233.814,1345 235.814,1346 237.814,1347 34.35,1348 7.841,1349 57.37,1350 57.37,1351 24,1352 12.785,1353 3.7,1354 2.907,1355 33.696,1356 77,1357 76,1358 0.235,1359 177.06,1360 307.06,1361 423.787,1362 24637,1364 16.845,1365 0.702,1366 0.607,1367 16.845,1368 14.556,1369 11.639,1370 0.431,1371 0.321,1372 8.569,1373 11.239,1374 8.26,1375 6.862,1376 11.639,1377 8.677,1378 10.507,1379 0.263,1380 0.172,1381 10.507,1382 6.89,1383 9.63,1384 0.166,1385 0.095,1386 9.63,1387 5.534,1388 8.618,1389 0.104,1390 0.053,1391 8.618,1392 4.401,1393 7.361,1394 0.063,1395 0.029,1396 7.361,1397 3.412,1398 0.354,1399 72.761,1400 0.236,1401 22.648,1402 0.696,1403 134,1404 326.428,1405 142.838,1406 314.324,1407 443.9,1408 298,1409 165,1410 335.753,1411 174.587,1412 344.78,1413 510.26,1414 323,1415 5.292}
{0 CHEMBL573095,1 1.459,2 8.25,3 4.517,4 20.399,5 100.224,6 7.296,7 0.407,8 3.939,9 4.059,10 3.494,11 3.544,12 4.908,13 3.489,14 4.525,15 4.701,16 3.897,17 4.001,18 5.428,19 3.915,20 4.852,21 5.075,22 4.022,23 4.198,24 5.713,25 4.08,26 4.886,27 5.121,28 4.002,29 4.186,30 5.716,31 4.061,32 4.893,33 5.13,34 3.933,35 4.191,36 5.688,37 4.056,38 4.95,39 5.199,40 3.916,41 4.184,42 5.747,43 4.017,44 4.939,45 5.214,46 3.751,47 4.037,48 5.804,49 3.846,50 4.693,51 4.973,52 3.463,53 3.718,54 5.594,55 3.504,56 0.048,57 0.649,58 10.304,59 4.633,60 6.869,61 6.287,62 0.11,63 1.12,64 20.156,65 8.385,66 16.579,67 11.57,68 0.261,69 1.49,70 31.134,71 11.481,72 31.866,73 16.136,74 0.266,75 1.554,76 31.721,77 11.601,78 30.311,79 16.563,80 0.226,81 1.568,82 30.716,83 11.519,84 24.348,85 16.477,86 0.21,87 1.549,88 34.035,89 13.247,90 27.406,91 18.609,92 0.345,93 1.425,94 38.067,95 12.823,96 46.179,97 17.721,98 0.366,99 1.019,100 33.51,101 9.934,102 47.226,103 13.202,104 16,105 39,106 0.251,107 0.629,108 0.834,109 0.893,110 0.893,111 0.893,112 3.231,113 1.026,114 -4.72,115 -4.64,116 -4.36,121 42.6,122 1,123 4,124 2,127 2,137 1,138 1,144 3,145 2,146 2,148 2,176 12,180 4,185 2,187 20,192 3,196 1,197 2,200 15,206 5,209 1,211 5,214 15,219 1,224 4,227 11,232 1,237 5,239 12,244 1,247 1,249 6,251 8,261 2,264 7,274 3,277 3,281 726,282 16.566,283 16.566,284 16.566,285 16.566,286 16.566,287 15.046,288 18.747,289 9.769,290 16.855,291 13.296,292 13.296,293 13.296,294 13.296,295 13.296,296 10.807,297 21.187,298 4.582,299 13.829,300 4.095,301 1.894,302 0.703,303 0.356,304 0.356,305 0.356,306 3.932,308 1,311 1,312 1,313 431,314 2.915,318 159.425,320 52.736,322 132.732,324 79.686,325 1.208,326 18.151,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 50.333,338 198,339 4.687,340 3.511,341 6.986,342 4.304,343 3.32,344 4.594,345 0.68,346 11.936,347 3.267,348 4.151,349 3.082,350 6.243,351 3.837,352 2.85,353 3.626,354 0.4,355 9.341,356 2.813,357 3.847,358 2.886,359 5.616,360 3.446,361 2.477,362 3.17,364 7.633,365 2.406,366 3.579,367 2.591,368 5.434,369 3.232,370 2.261,371 2.94,373 6.989,374 2.194,375 3.407,376 2.457,377 5.126,378 3.014,379 2.087,380 2.727,382 6.139,383 1.908,384 3.041,385 2.167,386 4.895,387 2.883,388 1.915,389 2.073,391 5.574,392 1.833,393 2.907,394 1.991,395 4.815,396 2.69,397 1.733,398 1.941,400 5.126,401 1.601,402 2.664,403 1.696,404 4.038,405 2.412,406 1.46,407 1.696,409 3.312,410 1.383,411 2.346,412 1.261,413 3.622,414 2.045,415 1.08,416 1.321,418 2.442,419 1.028,420 1.586,421 0.823,422 3.202,423 1.437,424 0.44,425 0.462,427 0.814,428 0.438,429 1.52,430 0.637,431 3,432 1.302,433 0.377,434 0.414,436 0.639,437 0.345,438 1.393,439 0.506,440 2.819,441 1.096,442 0.138,443 0.165,445 0.36,446 0.128,447 1.129,448 0.202,449 2.65,450 0.754,451 -0.151,452 -0.184,454 -0.384,455 -0.123,456 0.882,457 0.005,458 2.444,459 0.555,460 -0.365,461 -0.431,463 -0.81,464 -0.306,465 0.637,466 -0.455,467 2.375,468 0.352,469 -0.591,470 -0.653,472 -1.571,473 -0.531,474 11.848,475 0.494,476 0.568,477 0.024,478 26.5,479 1.104,480 11.5,481 0.479,482 15,483 0.625,484 25.024,485 1.043,486 25.952,487 0.552,488 16.627,489 0.693,490 4.538,491 0.189,492 7.153,493 0.298,494 0.131,496 0.38,501 0.831,502 1.139,503 0.7,504 0.929,505 0.864,506 0.92,507 0.789,508 1.138,509 0.732,510 0.942,511 0.734,512 0.95,513 0.779,514 1.052,515 0.865,516 0.937,517 0.706,518 0.947,519 0.656,520 1.109,521 0.789,522 0.986,523 0.547,524 0.991,525 0.788,526 1.04,527 0.807,528 0.964,529 0.597,530 1.028,531 0.566,532 1.143,533 0.77,534 1.105,535 0.62,536 1.099,537 1.06,538 0.973,539 1.011,540 1.027,541 1.128,542 1.022,543 1.865,544 0.78,545 1.341,546 0.919,547 2.062,548 0.955,549 5,550 0.029,551 2,552 2.188,553 1.702,554 1.056,555 0.645,556 0.488,557 0.213,558 0.097,559 5541,560 13175,561 2.135,562 48.9,563 11,564 8,567 2,568 2,572 1.679,573 2,574 3.015,575 0.214,582 68.585,583 1.459,584 3.661,585 4.852,586 5.198,587 5.198,588 5.198,589 2.492,590 3.804,591 4.552,592 3.127,593 863.09,594 7.909,595 9609.95,597 1,600 261.066,601 1.406,602 4.518,603 0.185,604 0.01,605 0.051,606 0.051,607 0.042,608 0.028,609 0.019,610 0.019,611 0.013,612 0.012,613 0.429,614 0.5,615 1,616 1.247,617 110.277,618 -0.065,619 0.029,620 0.019,621 0.072,622 -0.076,623 0.067,624 -0.042,625 -0.039,626 0.033,627 0.042,628 -0.002,629 0.034,630 0.013,631 -0.002,633 0.032,634 -0.001,635 0.029,636 0.062,637 -0.052,638 0.017,639 -0.039,640 0.04,641 -0.024,642 -0.089,643 0.033,644 -0.059,645 -0.031,646 -0.038,647 -0.071,648 0.1,649 -0.173,650 0.03,651 -0.134,652 0.065,653 -0.108,654 0.028,655 -0.051,656 -0.008,657 -0.06,658 0.033,659 -0.049,660 -0.224,661 0.089,662 -0.067,663 0.069,664 -0.237,665 0.006,666 1.375,667 3.296,668 0.708,669 18.125,670 0.991,671 1.122,672 3.491,673 12.187,674 0.674,675 3.332,676 3.689,677 4.025,678 4.407,679 4.762,680 4.977,681 5.182,682 5.375,683 5.476,684 5.517,685 4.952,686 0.625,687 342.9,688 3.332,689 4.89,690 5.771,691 6.688,692 7.596,693 8.526,694 9.445,695 10.38,696 11.302,697 12.24,698 4.3,703 1,708 1,714 2,715 3,716 1,720 4,722 11,734 1,740 1,741 47,743 12,744 1,745 27,747 50,748 20,749 9,750 3,751 3,756 4,757 10,758 1,763 2,767 3,768 2,770 4,772 11,773 9,774 2,777 1,784 1,786 1,790 1,793 23,794 3,795 2,796 4,797 1,802 2,808 0.25,809 1,810 1,822 1,829 4,831 1,833 2,835 1,849 1,850 1,857 1,859 1,864 1,865 1,868 24,875 1,876 6,877 1,880 2,892 1,893 2.1,894 1,901 12,902 8.543,903 5.306,904 3.187,907 2.771,908 1.355,909 0.981,910 4.336,911 10.571,912 3.541,913 4.167,914 4.796,915 5.45,916 6.096,917 6.537,918 6.984,919 7.446,920 7.817,921 7.998,922 0.833,923 43,924 8.916,926 3.862,927 0.026,929 7.539,931 17.7,933 15.508,936 2.039,937 48.944,940 1,941 247.193,942 79.076,943 34.796,944 39.149,945 42.683,948 79.076,949 329.025,950 34.796,951 8.825,952 12.244,953 80.588,954 34.796,955 20.102,957 247.193,958 39.149,959 247.193,960 113.873,961 42.683,962 39.149,964 247.193,966 42.683,968 25.97,969 43.63,970 83.421,972 247.193,973 77.48,974 118.225,977 247.193,978 32.346,979 46.73,980 18.011,981 98.618,982 247.193,983 77.48,984 118.225,986 0.576,987 0.342,988 0.204,989 0.13,990 21,991 9,992 0.08,993 4,994 4,995 1.412,996 3.478,997 214.057,998 0.471,999 16,1000 110.039,1005 16.075,1006 6.474,1007 2.89,1008 2.055,1009 77.48,1010 5.918,1011 4.962,1015 4.445,1017 60.694,1018 442.898,1019 33.5,1026 2.476,1028 1.575,1031 46.574,1032 52.717,1034 0.263,1035 0.659,1036 0.874,1037 0.936,1038 0.936,1039 0.936,1040 4.81,1041 1.46,1042 5.771,1043 5.126,1044 4.369,1045 4.852,1046 0.809,1047 6.642,1048 4.305,1049 6.021,1050 1.08,1051 7.357,1052 3.312,1053 4.007,1054 4.783,1056 7.621,1057 3.904,1058 7.35,1059 0.44,1060 9.041,1061 2.442,1062 6.009,1063 7.104,1064 0.391,1065 10.788,1066 5.91,1067 8.713,1068 0.377,1069 10.785,1070 0.814,1071 6.447,1072 7.862,1074 12.61,1075 6.327,1076 10.109,1077 0.138,1078 12.567,1079 0.639,1080 7.936,1081 9.693,1082 0.187,1083 15.312,1084 7.814,1085 11.53,1086 -0.151,1087 14.377,1088 0.36,1089 8.768,1090 10.85,1092 17.511,1093 8.632,1094 12.971,1095 -0.365,1096 16.209,1097 -0.384,1098 10.056,1099 12.49,1100 0.089,1101 20.057,1102 9.913,1103 3.32,1104 -0.591,1105 18.059,1106 -0.81,1107 11.08,1108 13.841,1110 22.418,1111 10.923,1112 2.85,1113 11.936,1114 19.923,1115 -1.571,1116 12.293,1117 15.405,1118 0.042,1119 24.912,1120 12.126,1121 2.477,1122 9.341,1123 21.8,1124 4.594,1125 13.406,1126 16.848,1128 27.34,1129 13.224,1130 2.261,1131 7.633,1132 23.687,1133 3.626,1134 14.595,1135 18.383,1136 0.019,1137 29.819,1138 14.4,1139 2.087,1140 6.989,1141 25.582,1142 3.17,1143 15.749,1144 19.869,1146 32.274,1147 15.539,1148 1.915,1149 6.139,1150 27.485,1151 2.94,1152 16.934,1153 21.394,1154 0.009,1155 34.75,1156 16.71,1157 1.733,1158 5.574,1159 29.393,1160 2.727,1161 18.107,1162 22.9,1164 37.218,1165 17.867,1166 5366,1167 8388,1168 18.205,1169 31.699,1170 40.476,1171 41.332,1172 42.397,1173 40.462,1174 40.273,1175 50.258,1176 2.16,1177 120.612,1178 38.686,1179 5.641,1180 5.511,1181 6.844,1182 5.346,1183 5.32,1184 7.594,1185 1.36,1186 19.513,1187 5.267,1188 10.877,1189 1.499,1190 1.531,1191 1.57,1192 1.499,1193 1.492,1194 1.861,1195 0.08,1196 4.467,1197 1.433,1198 4.141,1199 4.169,1200 4.139,1201 4.075,1202 6.456,1203 4.077,1204 3.882,1205 3.915,1206 3.871,1207 3.821,1208 5.038,1209 3.81,1210 3.576,1211 3.637,1212 3.61,1213 3.452,1214 4.695,1215 3.443,1216 3.512,1217 3.578,1218 3.368,1219 3.323,1220 4.421,1221 3.322,1222 3.261,1223 3.317,1224 3.262,1225 3.134,1226 4.182,1227 3.12,1228 3.202,1229 3.269,1230 3.047,1231 3.057,1232 4.059,1233 3.042,1234 2.963,1235 3.032,1236 2.955,1237 2.825,1238 3.909,1239 2.815,1240 2.905,1241 2.986,1242 2.789,1243 2.76,1244 3.623,1245 2.737,1246 0.174,1247 0.13,1248 0.259,1249 0.159,1250 0.123,1251 4.687,1252 0.17,1253 3.511,1254 0.025,1255 6.986,1256 0.442,1257 4.304,1258 0.121,1259 3.32,1260 4.594,1261 0.68,1262 11.936,1263 3.267,1264 2.098,1265 2.074,1266 2.189,1267 2.183,1268 1.542,1269 2.186,1270 1.888,1271 1.858,1272 2.008,1273 1.978,1274 1.202,1275 1.995,1276 1.559,1277 1.508,1278 1.806,1279 1.768,1280 1.038,1281 1.773,1282 1.497,1283 1.426,1284 1.769,1285 1.7,1286 0.986,1287 1.739,1288 1.251,1289 1.201,1290 1.52,1291 1.427,1292 0.849,1293 1.46,1294 1.218,1295 1.149,1296 1.41,1297 1.386,1298 0.61,1299 1.404,1300 0.95,1301 0.889,1302 1.278,1303 1.171,1304 0.502,1305 1.203,1306 0.926,1307 0.854,1308 1.168,1309 1.145,1310 0.281,1311 1.165,1312 4.007,1314 5.352,1316 6.917,1318 8.598,1320 10.344,1322 2.249,1323 6.182,1327 9.296,1328 5.171,1329 3.468,1332 1.147,1340 29.38,1341 68.585,1342 172.069,1343 228.046,1344 244.311,1345 244.311,1346 244.311,1347 34.938,1348 7.8,1349 45.15,1350 45.15,1351 24,1352 12.74,1353 3.7,1354 2.907,1355 33.495,1356 71,1357 76,1358 0.243,1359 181.397,1360 313.48,1361 434.369,1362 23801,1363 2.1,1364 16.681,1365 0.695,1366 0.614,1367 17.181,1368 14.735,1369 11.69,1370 0.433,1371 0.342,1372 8.829,1373 11.164,1374 8.574,1375 7.042,1376 11.979,1377 9.233,1378 10.565,1379 0.271,1380 0.189,1381 10.973,1382 7.375,1383 9.085,1384 0.165,1385 0.102,1386 9.347,1387 5.599,1388 8.257,1389 0.102,1390 0.056,1391 8.491,1392 4.544,1393 7.392,1394 0.064,1395 0.032,1396 7.623,1397 3.665,1398 0.36,1399 74.886,1400 0.234,1401 22.577,1402 0.735,1403 132,1404 298.331,1405 152.733,1406 324.822,1407 445.61,1408 306,1409 160,1410 308.885,1411 175.14,1412 325.822,1413 484.96,1414 310,1415 8.171}
{0 CHEMBL573102,1 1.693,2 7,3 3.808,4 14.502,5 74.19,6 7.996,7 0.316,8 3.656,9 3.757,10 3.487,11 3.278,12 4.567,13 3.184,14 4.27,15 4.442,16 3.823,17 3.691,18 5.466,19 3.574,20 4.589,21 4.801,22 3.973,23 3.913,24 5.572,25 3.747,26 4.712,27 4.912,28 3.824,29 3.888,30 5.886,31 3.73,32 4.695,33 4.925,34 3.548,35 3.708,36 5.859,37 3.558,38 4.392,39 4.658,40 3.337,41 3.517,42 5.433,43 3.328,44 4.17,45 4.475,46 2.779,47 3.283,48 4.804,49 3.012,50 3.824,51 4.154,52 2.761,53 2.86,54 4.524,55 2.551,56 0.065,57 0.513,58 10.285,59 4.003,60 13.137,61 4.9,62 0.272,63 0.855,64 17.403,65 6.876,66 45.404,67 8.668,68 0.239,69 1.132,70 31.896,71 10.269,72 40.613,73 11.953,74 0.389,75 1.176,76 40.871,77 12.061,78 76.422,79 12.958,80 0.625,81 1.011,82 34.041,83 9.699,84 114.397,85 11.319,86 0.392,87 0.785,88 22.929,89 7.595,90 61.924,91 10.329,92 0.098,93 0.634,94 17.317,95 6.515,96 20.763,97 9.118,98 0.128,99 0.36,100 17.057,101 4.771,102 19.308,103 6.374,104 26,105 28,106 0.314,107 0.546,108 0.686,109 0.735,110 0.735,111 0.735,112 2.962,113 1.269,114 -3.95,115 -3.9,116 -3.7,121 36.1,122 2,123 3,129 2,144 4,146 2,176 4,179 3,180 4,187 7,192 7,200 6,206 14,214 3,219 2,227 8,232 3,239 10,251 2,264 4,277 1,281 360,282 11.463,283 11.463,284 11.463,285 11.463,286 11.463,287 10.447,288 13.933,289 6.532,290 11.818,291 9.313,292 9.313,293 9.313,294 9.313,295 9.313,296 7.746,297 21.053,298 3.035,299 9.963,300 3.477,301 2.224,302 1.473,303 1.209,304 1.209,305 1.209,306 3.603,308 1,310 1,311 1,312 1,313 258,314 2.915,318 118.103,325 1,326 25.779,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 38.833,338 126,339 4.959,340 4.734,341 7.78,342 4.504,343 3.577,344 4.769,345 0.4,346 14.188,347 3.297,348 3.9,349 3.047,350 6.202,351 3.609,352 2.666,353 3.421,355 8.592,356 2.498,357 3.646,358 2.882,359 5.114,360 3.251,361 2.344,362 2.739,364 6.21,365 2.095,366 3.044,367 1.96,368 4.841,369 2.861,370 1.879,371 2.217,373 5.104,374 1.844,375 2.879,376 1.754,377 4.718,378 2.559,379 1.609,380 1.879,382 4.579,383 1.464,384 2.5,385 1.304,386 3.825,387 2.172,388 1.195,389 1.5,391 2.824,392 1.157,393 2.285,394 1,395 3.414,396 2,397 1,398 1.264,400 2.275,401 1,402 1.12,403 0.608,404 3.052,405 0.887,406 -0.075,407 -0.08,409 -0.188,410 -0.066,411 1,412 -0.019,413 2.6,414 0.648,415 -0.253,416 -0.319,418 -0.579,419 -0.183,420 1,421 -0.238,422 2.352,423 0.579,424 -0.347,425 -0.347,427 -0.757,428 -0.345,429 0.653,430 -0.322,431 2,433 -1,434 -1.246,436 -3,437 -0.887,438 0.5,439 -1,440 2,442 -1,443 -1.5,445 -3,446 -1,447 -0.006,448 -1,449 2,450 -0.242,451 -1.238,452 -1.532,454 -3.065,455 -1,456 -0.229,457 -1.241,458 1.65,459 -0.542,460 -1.251,461 -1.534,463 -3.138,464 -1.242,465 -0.37,466 -1.254,467 1.353,468 -0.572,469 -1.532,470 -1.929,472 -3.788,473 -1.456,474 9.114,475 0.506,476 0.66,477 0.037,478 19.75,479 1.097,480 9,481 0.5,482 10.75,483 0.597,484 17.135,485 0.952,486 20.886,487 0.58,488 12.628,489 0.702,490 3.205,491 0.178,492 5.22,493 0.29,494 0.261,495 0.091,496 0.263,501 0.403,502 1.474,503 0.728,504 1.272,505 0.625,506 1.052,507 0.511,508 1.175,509 0.661,510 0.872,511 0.467,512 0.929,513 0.953,514 1.061,515 1.072,516 1.079,517 0.723,518 0.943,519 1.444,520 1.216,521 1.367,522 1.419,523 1.481,524 1.091,525 1.903,526 0.795,527 0.764,528 0.698,529 2.339,530 0.91,531 0.42,532 0.865,533 0.554,534 0.805,535 0.581,536 0.981,537 0.18,538 1.002,539 0.543,540 0.834,541 0.166,542 1.06,543 0.539,544 0.715,545 0.937,546 0.679,547 0.262,548 0.791,549 5,551 3.333,552 2.438,553 1.213,554 0.653,555 0.201,556 0.229,557 0.037,558 0.016,559 2279,560 6716,561 1.919,562 50,563 2,564 6,569 10,572 1.593,573 1.728,574 2.763,575 -0.709,577 1,579 1,582 60.953,583 1.693,584 2.946,585 3.697,586 3.961,587 3.961,588 3.961,589 2.213,590 3.17,591 4.143,592 2.865,593 438.328,594 7.063,595 4004.85,597 1,598 1,599 1,600 186.117,601 1.788,602 4.043,603 0.263,605 0.119,606 0.081,607 0.043,608 0.034,609 0.013,610 0.029,611 0.007,612 0.016,613 0.606,614 1,615 1,616 0.745,617 74.238,618 0.156,619 -0.199,620 0.178,621 -0.103,622 -0.126,623 0.005,624 0.305,625 -0.033,626 0.133,627 0.084,628 0.286,629 0.038,630 -0.077,631 0.067,632 -0.005,633 0.03,634 0.04,635 0.043,636 -0.183,637 -0.155,638 -0.237,639 -0.233,640 -0.03,641 -0.115,642 -0.358,643 0.089,644 -0.069,645 0.116,646 -0.392,647 -0.04,648 0.271,649 0.002,650 0.124,651 -0.023,652 0.119,653 -0.022,654 0.134,655 -0.156,656 0.098,657 -0.046,658 0.039,659 -0.071,660 0.117,661 0.007,662 0.236,663 0.187,664 0.093,665 0.221,666 4.319,667 5.602,668 0.667,669 10,670 1.003,671 1.125,672 2.716,673 7.378,674 0.674,675 2.996,676 3.367,677 3.611,678 3.829,679 3.892,680 3.829,681 3.664,682 3.664,683 3.367,684 3.045,685 4.167,686 0.617,687 287.84,688 2.996,689 4.554,690 5.407,691 6.312,692 7.185,693 8.096,694 8.976,695 9.89,696 10.773,697 11.69,698 2.8,701 1,715 4,720 2,722 6,740 1,741 36,743 8,744 1,745 19,747 37,748 13,749 6,750 2,751 4,756 2,757 2,758 1,763 2,767 5,770 5,772 6,773 7,777 2,780 1,782 2,790 1,793 18,794 3,796 5,797 2,802 1,808 1,809 2,829 2,859 2,862 1,864 2,865 1,868 18,872 1,876 3,880 2,881 1,892 1,893 5.6,896 2,901 10.417,902 6.843,903 3.889,904 2.355,907 1.159,908 1.194,909 0.939,910 4,911 7.14,912 3.219,913 3.818,914 4.238,915 4.667,916 5.013,917 5.137,918 5.104,919 4.923,920 4.82,921 4.473,922 0.8,923 30,924 6.912,926 3.157,927 0.026,929 7.918,931 12.974,933 11.107,936 2.418,937 43.528,938 0.002,941 211.88,942 74.018,943 1.519,944 39.149,945 44.313,947 5.807,948 68.21,949 295.341,950 1.519,951 17.65,952 7.604,953 43.712,954 44.313,955 6.57,957 211.88,958 39.149,959 211.88,960 69.729,961 44.313,962 44.956,964 94.169,965 162.024,968 26.773,969 42.956,970 44.956,972 211.88,973 45.832,974 113.166,976 5.807,977 211.88,978 12.655,979 57.074,981 83.462,982 211.88,983 45.832,984 113.166,986 0.601,987 0.355,988 0.185,989 0.088,990 14,991 7,992 0.054,993 2,995 1,996 2.828,997 129.598,999 12,1000 63.059,1004 1,1005 13.851,1006 5.198,1007 2.736,1009 45.832,1010 6.388,1015 0.876,1018 370.878,1019 24,1022 -3.402,1024 25.204,1031 36.109,1032 40.518,1034 0.327,1035 0.57,1036 0.715,1037 0.766,1038 0.766,1039 0.766,1040 4.494,1041 -0.075,1042 5.476,1043 2.275,1044 4.043,1045 4.5,1046 0.278,1047 6.405,1048 3.912,1049 5.744,1050 -0.253,1051 7.132,1052 -0.188,1053 4.007,1054 4.771,1056 7.858,1057 3.734,1058 7.123,1059 -0.347,1060 8.916,1061 -0.579,1062 5.808,1063 6.834,1064 0.05,1065 10.97,1066 5.522,1067 8.55,1068 -1,1069 10.78,1070 -0.757,1071 6.567,1072 7.92,1074 13.252,1075 6.139,1076 10.021,1077 -1,1078 12.697,1079 -3,1080 7.975,1081 9.62,1082 0.008,1083 16.029,1084 7.516,1085 11.524,1086 -1.238,1087 14.651,1088 -3,1089 9.053,1090 11.005,1092 18.567,1093 8.474,1094 13.05,1095 -1.251,1096 16.631,1097 -3.065,1098 10.351,1099 12.606,1100 0.001,1101 21.257,1102 9.717,1103 3.577,1104 -1.532,1105 18.63,1106 -3.138,1107 11.549,1108 14.099,1110 23.873,1111 10.814,1112 2.666,1113 14.188,1114 20.643,1115 -3.788,1116 12.821,1117 15.671,1119 26.537,1120 12.016,1121 2.344,1122 8.592,1123 22.665,1124 4.769,1125 14.065,1126 17.205,1128 29.177,1129 13.169,1130 1.879,1131 6.21,1132 24.694,1133 3.421,1134 15.333,1135 18.769,1137 31.833,1138 14.36,1139 1.609,1140 5.104,1141 26.729,1142 2.739,1143 16.594,1144 20.319,1146 34.481,1147 15.535,1148 1.195,1149 4.579,1150 28.768,1151 2.217,1152 17.864,1153 21.881,1155 37.135,1156 16.725,1157 1,1158 2.824,1159 30.809,1160 1.879,1161 19.132,1162 23.438,1164 39.786,1165 17.91,1166 2391,1167 4252,1168 11.731,1169 24.273,1170 28.743,1171 30.107,1172 30.733,1173 28.726,1174 28.54,1175 35.58,1176 0.8,1177 87.545,1178 26.709,1179 5.959,1180 6.734,1181 7.326,1182 5.549,1183 5.577,1184 7.769,1185 0.8,1186 22.569,1187 5.297,1188 10.528,1189 1.513,1190 1.585,1191 1.618,1192 1.512,1193 1.502,1194 1.873,1195 0.042,1196 4.608,1197 1.406,1198 4.107,1199 4.096,1200 4.744,1201 4.086,1202 7.715,1203 4,1204 3.822,1205 3.866,1206 3.927,1207 3.723,1208 6.999,1209 3.712,1210 3.542,1211 3.512,1212 3.655,1213 3.48,1214 4.928,1215 3.392,1216 3.367,1217 3.452,1218 3.156,1219 3.217,1220 4.347,1221 3.19,1222 3.139,1223 3.231,1224 3.151,1225 2.95,1226 4.246,1227 2.918,1228 2.854,1229 2.925,1230 2.895,1231 2.735,1232 3.903,1233 2.715,1234 2.679,1235 2.81,1236 2.687,1237 2.56,1238 3.674,1239 2.526,1240 2.661,1241 2.692,1242 2.32,1243 2.433,1244 3.659,1245 2.387,1246 0.261,1247 0.249,1248 0.409,1249 0.237,1250 0.188,1251 4.959,1252 0.251,1253 4.734,1254 0.021,1255 7.78,1256 0.747,1257 4.504,1258 0.174,1259 3.577,1260 4.769,1261 0.4,1262 14.188,1263 3.297,1264 1.983,1265 1.988,1266 2.07,1267 2.085,1268 1.456,1269 2.12,1270 1.824,1271 1.777,1272 1.945,1273 1.934,1274 1.139,1275 1.962,1276 1.405,1277 1.408,1278 1.733,1279 1.606,1280 0.97,1281 1.655,1282 1.374,1283 1.325,1284 1.578,1285 1.526,1286 0.794,1287 1.575,1288 1.155,1289 1.073,1290 1.209,1291 1.378,1292 0.492,1293 1.437,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.398,1299 1.107,1300 0.737,1301 0.611,1302 1.053,1303 1.034,1304 0.218,1305 1.102,1306 0.591,1307 0.561,1308 0.888,1309 0.799,1310 0.091,1311 0.842,1312 3.664,1314 5.017,1316 6.583,1318 8.247,1320 9.959,1322 3.951,1323 5.796,1328 2.948,1332 0.129,1333 1.639,1340 22.207,1341 60.953,1342 106.059,1343 133.098,1344 142.608,1345 142.608,1346 142.608,1347 43.767,1348 5.981,1349 37.38,1350 45.76,1351 12,1352 12.207,1353 3.17,1354 2.585,1355 30.744,1356 43,1357 50,1358 0.362,1359 146.152,1360 252.22,1361 348.372,1362 2267,1363 2.8,1364 13.336,1365 0.741,1366 0.678,1367 14.086,1368 12.208,1369 8.426,1370 0.443,1371 0.423,1372 6.323,1373 7.156,1374 5.948,1375 4.954,1376 9.503,1377 8.036,1378 8.189,1379 0.292,1380 0.257,1381 9.879,1382 7.197,1383 6.472,1384 0.18,1385 0.164,1386 8.145,1387 5.896,1388 5.425,1389 0.121,1390 0.102,1391 6.999,1392 4.608,1393 3.491,1394 0.073,1395 0.064,1396 4.693,1397 3.058,1398 0.531,1399 63.093,1400 0.292,1401 17.544,1402 1.11,1403 94,1404 270.18,1405 156.795,1406 310.322,1407 406.34,1408 282,1409 111,1410 245.601,1411 178.94,1412 294.696,1413 431.56,1414 276,1415 6.498}
{0 CHEMBL574261,1 1.508,2 9,3 4.279,4 18.306,5 96.225,6 7.71,7 0.4,8 3.854,9 3.974,10 3.564,11 3.539,12 4.789,13 3.432,14 4.441,15 4.617,16 4.063,17 4.004,18 5.286,19 3.857,20 4.697,21 4.908,22 4.064,23 4.128,24 5.51,25 3.967,26 4.775,27 5.02,28 3.972,29 4.094,30 5.602,31 3.911,32 4.651,33 4.886,34 3.86,35 3.981,36 5.512,37 3.785,38 4.552,39 4.812,40 3.628,41 3.836,42 5.327,43 3.601,44 4.199,45 4.411,46 3.421,47 3.583,48 5.104,49 3.364,50 4.052,51 4.289,52 3.042,53 3.392,54 4.783,55 3.127,56 0.047,57 0.65,58 10.274,59 4.538,60 7.063,61 5.884,62 0.145,63 1.155,64 25.687,65 9.266,66 12.264,67 11.255,68 0.157,69 1.429,70 29.076,71 11.056,72 17.06,73 14.334,74 0.26,75 1.539,76 36.013,77 12.499,78 27.008,79 15.393,80 0.252,81 1.394,82 29.79,83 9.822,84 27.172,85 12.339,86 0.203,87 1.229,88 34.513,89 11.199,90 21.731,91 12.631,92 0.175,93 0.91,94 20.443,95 6.592,96 20.319,97 7.738,98 0.119,99 0.744,100 22.23,101 7.328,102 12.645,103 8.002,104 13,105 37,106 0.265,107 0.605,108 0.823,109 0.864,110 0.864,111 0.864,112 3.148,113 1.181,114 -4.7,115 -4.61,116 -4.34,121 39.5,122 2,123 4,124 2,127 1,137 1,138 1,145 1,146 1,148 1,151 1,154 1,164 1,165 1,166 1,167 1,176 10,179 1,180 4,185 1,187 15,189 1,192 3,197 2,200 11,203 2,206 7,208 2,209 2,211 3,214 7,216 3,219 4,224 3,227 5,229 3,232 5,237 2,239 4,241 2,244 2,249 1,251 6,253 1,256 1,261 1,264 5,266 1,277 6,281 504,282 14.989,283 14.989,284 14.989,285 14.989,286 14.989,287 13.546,288 14.791,289 8.776,290 15.52,291 12.365,292 12.365,293 12.365,294 12.365,295 12.365,296 10.055,297 12.84,298 4.203,299 13.335,300 3.918,301 1.978,302 0.733,303 0.5,304 0.5,305 0.5,306 3.847,311 1,312 1,313 438,314 2.739,317 33.224,318 112.196,320 52.75,321 55.923,322 59.265,324 75.479,325 1.455,326 14.073,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 45.5,338 198,339 4.695,340 4.411,341 6.946,342 4.279,343 3.315,344 4.626,345 2.95,346 11.716,347 3.215,348 4.178,349 3.488,350 6.276,351 3.815,352 2.882,353 3.652,354 0.68,355 9.485,356 2.7,357 3.809,358 3.016,359 5.549,360 3.401,361 2.459,362 3.103,364 7.444,365 2.312,366 3.484,367 2.773,368 5.357,369 3.166,370 2.193,371 2.822,373 6.737,374 2.138,375 3.368,376 2.502,377 5.194,378 2.94,379 2.072,380 2.619,382 6.312,383 1.78,384 2.99,385 2.448,386 4.916,387 2.796,388 1.835,389 2.015,391 5.429,392 1.753,393 2.866,394 2.06,395 4.661,396 2.608,397 1.65,398 1.892,400 4.832,401 1.538,402 2.441,403 1.817,404 3.907,405 2.282,406 1.357,407 1.439,409 2.599,410 1.236,411 2.183,412 0.941,413 3.44,414 1.652,415 0.794,416 1.069,418 2.338,419 0.666,420 1.401,421 0.806,422 3.243,423 1.127,424 0.264,425 0.287,427 0.477,428 0.222,429 1.273,430 0.491,431 2.957,432 1.044,433 0.09,434 0.1,436 0.241,437 0.086,438 1.155,439 0.342,440 2.591,441 0.821,442 -0.108,443 -0.13,445 -0.298,446 -0.099,447 0.645,448 0.009,449 2.483,450 0.588,451 -0.401,452 -0.416,454 -1.022,455 -0.397,456 0.614,457 -0.054,458 2.418,459 0.203,460 -0.753,461 -0.901,463 -1.71,464 -0.705,465 0.283,466 -0.592,467 2.191,468 0.054,469 -0.874,470 -0.982,472 -2.316,473 -0.736,474 11.367,475 0.517,476 0.606,477 0.028,478 23.75,479 1.08,480 10,481 0.455,482 13.75,483 0.625,484 24.512,485 1.114,486 23.433,487 0.545,488 11.819,489 0.537,490 3.342,491 0.152,492 7.31,493 0.332,494 0.123,496 0.396,501 0.937,502 1.02,503 0.76,504 0.815,505 1.11,506 0.881,507 0.549,508 1.048,509 0.764,510 0.921,511 0.524,512 0.891,513 0.749,514 1.151,515 0.814,516 0.969,517 0.846,518 0.99,519 0.92,520 1.061,521 1.009,522 1.026,523 0.889,524 0.945,525 1.762,526 1.042,527 1.1,528 0.98,529 1.827,530 1.069,531 1.294,532 1.064,533 1.43,534 1.233,535 1.02,536 0.98,537 2.2,538 1.066,539 1.494,540 1.193,541 2.274,542 1.24,543 1.271,544 1.151,545 1.803,546 1.554,547 1.026,548 1.241,549 5,550 0.057,551 1.778,552 2.319,553 1.534,554 0.858,555 0.456,556 0.249,557 0.15,558 0.069,559 4730,560 9902,561 2.148,562 48.8,563 12,564 3,567 2,568 2,569 2,572 1.647,573 2,574 3.11,575 0.304,577 1,582 64.849,583 1.508,584 3.448,585 4.693,586 4.926,587 4.926,588 4.926,589 2.681,590 4.187,591 4.423,592 3.213,593 742.254,594 7.616,595 7699.34,597 1,599 1,600 233.329,601 1.437,602 4.388,603 0.2,604 0.009,605 0.048,606 0.061,607 0.044,608 0.032,609 0.02,610 0.016,611 0.012,612 0.009,613 0.451,614 0.5,615 1,616 1.203,617 98.927,618 -0.044,619 0.072,620 0.08,621 0.114,622 -0.091,623 0.087,624 0.291,625 -0.014,626 0.216,627 0.09,628 0.214,629 0.105,630 0.125,631 -0.165,632 0.074,633 -0.034,634 0.017,635 -0.016,636 0.176,637 -0.059,638 0.001,639 -0.038,640 0.21,641 0.025,642 -0.318,643 0.033,644 -0.114,645 -0.038,646 -0.346,647 -0.145,648 -0.119,649 -0.03,650 -0.137,651 -0.067,652 0.025,653 0.026,654 -0.6,655 0.086,656 -0.326,657 -0.138,658 -0.586,659 -0.308,660 -0.266,661 -0.104,662 -0.378,663 -0.278,664 -0.075,665 -0.2,666 0.805,667 2.564,668 0.727,669 16.603,670 0.986,671 1.118,672 3.465,673 12.007,674 0.702,675 3.258,676 3.638,677 3.97,678 4.357,679 4.644,680 4.868,681 5.056,682 5.268,683 5.308,684 5.412,685 5.047,686 0.632,687 331.55,688 3.258,689 4.828,690 5.714,691 6.637,692 7.545,693 8.478,694 9.395,695 10.333,696 11.254,697 12.194,698 7,702 1,708 2,714 2,716 2,719 1,720 4,722 10,733 1,741 43,743 11,745 25,747 46,748 17,749 6,756 4,757 10,763 2,767 3,768 2,770 4,772 8,773 9,774 2,777 1,784 1,786 1,790 1,793 21,794 3,795 2,796 5,797 2,802 3,808 0.25,822 1,828 1,829 3,831 1,832 1,833 1,835 1,849 1,850 1,859 1,860 1,862 2,864 2,868 22,869 1,876 5,879 1,880 2,887 1,901 11,902 8.317,903 4.722,904 2.936,907 2.456,908 1.321,909 1.015,910 3.836,911 10.098,912 3.466,913 4.115,914 4.742,915 5.413,916 5.972,917 6.449,918 6.906,919 7.363,920 7.564,921 7.826,922 1,923 38,924 8.194,926 3.57,927 0.026,929 7.386,931 16.49,933 14.611,936 1.886,937 41.5,938 0.001,940 1,941 223.651,942 116.007,943 66.468,947 63.497,948 52.51,949 223.651,950 66.468,951 17.65,952 11.038,953 42.373,954 33.571,955 13.6,956 0.746,957 287.148,959 223.651,960 118.978,962 63.497,964 201.824,965 23.542,968 31.445,969 42.771,970 43.047,971 63.497,972 223.651,973 66.468,974 116.007,977 223.651,978 88.881,979 27.127,981 66.468,982 223.651,983 66.468,984 116.007,986 0.587,987 0.345,988 0.204,989 0.118,990 21,991 9,992 0.065,993 3,994 4,995 1.438,996 3.382,997 188.47,998 0.5,999 15,1000 98.107,1001 2,1005 14.803,1006 5.701,1007 2.57,1008 1.962,1009 66.468,1011 9.593,1014 1.719,1015 4.592,1017 32.897,1018 406.127,1019 31,1026 2.436,1028 1.509,1031 42.411,1032 48.072,1034 0.278,1035 0.635,1036 0.865,1037 0.908,1038 0.908,1039 0.908,1040 4.749,1041 1.357,1042 5.727,1043 4.832,1044 4.317,1045 4.8,1046 2.962,1047 6.605,1048 4.194,1049 5.973,1050 0.794,1051 7.319,1052 2.599,1053 4.007,1054 4.783,1056 7.573,1057 3.861,1058 7.31,1059 0.264,1060 9.008,1061 2.338,1062 5.969,1063 7.066,1064 5.03,1065 10.743,1066 5.761,1067 8.68,1068 0.09,1069 10.754,1070 0.477,1071 6.447,1072 7.884,1074 12.541,1075 6.216,1076 10.084,1077 -0.108,1078 12.536,1079 0.241,1080 7.913,1081 9.685,1082 7.185,1083 15.241,1084 7.642,1085 11.511,1086 -0.401,1087 14.345,1088 -0.298,1089 8.77,1090 10.891,1092 17.411,1093 8.474,1094 12.959,1095 -0.753,1096 16.176,1097 -1.022,1098 10.047,1099 12.515,1100 9.348,1101 19.948,1102 9.721,1103 3.315,1104 -0.874,1105 18.023,1106 -1.71,1107 11.084,1108 13.9,1110 22.28,1111 10.73,1112 2.882,1113 11.716,1114 19.884,1115 -2.316,1116 12.291,1117 15.458,1118 11.511,1119 24.759,1120 11.912,1121 2.459,1122 9.485,1123 21.757,1124 4.626,1125 13.409,1126 16.923,1128 27.161,1129 13.003,1130 2.193,1131 7.444,1132 23.639,1133 3.652,1134 14.596,1135 18.459,1136 13.675,1137 29.622,1138 14.164,1139 2.072,1140 6.737,1141 25.53,1142 3.103,1143 15.75,1144 19.959,1146 32.054,1147 15.292,1148 1.835,1149 6.312,1150 27.427,1151 2.822,1152 16.933,1153 21.489,1154 15.838,1155 34.51,1156 16.449,1157 1.65,1158 5.429,1159 29.33,1160 2.619,1161 18.105,1162 23.006,1164 36.955,1165 17.594,1166 4540,1167 6719,1168 16.819,1169 30.165,1170 38.095,1171 40.968,1172 39.777,1173 37.719,1174 37.824,1175 47.249,1176 7.26,1177 115.222,1178 35.29,1179 5.648,1180 6.411,1181 6.808,1182 5.452,1183 5.315,1184 7.626,1185 5.9,1186 19.307,1187 5.215,1188 10.039,1189 1.524,1190 1.639,1191 1.591,1192 1.509,1193 1.513,1194 1.89,1195 0.29,1196 4.609,1197 1.412,1198 4.118,1199 4.145,1200 4.384,1201 4.08,1202 5.162,1203 4.05,1204 3.841,1205 3.869,1206 3.909,1207 3.817,1208 4.829,1209 3.767,1210 3.591,1211 3.659,1212 3.67,1213 3.508,1214 4.499,1215 3.451,1216 3.39,1217 3.444,1218 3.377,1219 3.31,1220 4.214,1221 3.275,1222 3.229,1223 3.304,1224 3.116,1225 3.094,1226 4.078,1227 3.076,1228 3.089,1229 3.168,1230 3.023,1231 2.967,1232 3.758,1233 2.921,1234 2.914,1235 3.02,1236 2.941,1237 2.75,1238 3.587,1239 2.676,1240 2.853,1241 2.945,1242 2.778,1243 2.63,1244 3.395,1245 2.635,1246 0.188,1247 0.176,1248 0.278,1249 0.171,1250 0.133,1251 4.695,1252 0.185,1253 4.411,1254 0.118,1255 6.946,1256 0.469,1257 4.279,1258 0.129,1259 3.315,1260 4.626,1261 2.95,1262 11.716,1263 3.215,1264 2.039,1265 2.01,1266 2.158,1267 2.132,1268 1.526,1269 2.143,1270 1.707,1271 1.681,1272 1.887,1273 1.824,1274 1.164,1275 1.838,1276 1.624,1277 1.569,1278 1.793,1279 1.783,1280 0.979,1281 1.825,1282 1.348,1283 1.298,1284 1.595,1285 1.521,1286 0.891,1287 1.561,1288 1.245,1289 1.207,1290 1.485,1291 1.426,1292 0.727,1293 1.444,1294 1.161,1295 1.107,1296 1.311,1297 1.304,1298 0.554,1299 1.356,1300 0.87,1301 0.805,1302 1.201,1303 1.178,1304 0.43,1305 1.221,1306 0.851,1307 0.761,1308 1.141,1309 1.051,1310 0.289,1311 1.088,1312 3.932,1314 5.293,1315 2.398,1316 6.858,1317 4.727,1318 8.531,1319 6.843,1320 10.267,1322 4.444,1326 6.564,1328 5.662,1331 1.819,1332 1.202,1340 27.18,1341 64.849,1342 148.271,1343 201.82,1344 211.82,1345 211.82,1346 211.82,1347 29.44,1348 7.642,1349 51.8,1350 105.34,1351 23,1352 12.693,1353 3.585,1354 2.807,1355 29.862,1356 69,1357 83,1358 0.233,1359 172.274,1360 288.24,1361 412.11,1362 19525,1364 15.267,1365 0.694,1366 0.668,1367 15.974,1368 14.689,1369 10.652,1370 0.426,1371 0.394,1372 8.161,1373 9.666,1374 7.712,1375 6.397,1376 11.515,1377 9.844,1378 10.01,1379 0.271,1380 0.238,1381 11.334,1382 8.822,1383 8.503,1384 0.164,1385 0.136,1386 10.086,1387 7.072,1388 7.986,1389 0.104,1390 0.076,1391 9.524,1392 5.833,1393 6.514,1394 0.063,1395 0.045,1396 8.144,1397 4.584,1398 0.352,1399 73.642,1400 0.244,1401 21.196,1402 0.681,1403 124,1404 266.323,1405 183.787,1406 309.16,1407 438.33,1408 292,1409 151,1410 306.279,1411 197.583,1412 342.744,1413 514.59,1414 323,1415 5.114}
{0 CHEMBL574267,1 1.429,2 8.348,3 3.347,4 11.204,5 91.959,6 6.898,7 0.423,8 3.908,9 4.025,10 3.424,11 3.459,12 4.933,13 3.428,14 4.484,15 4.657,16 3.818,17 3.903,18 5.395,19 3.852,20 4.729,21 4.904,22 3.984,23 4.12,24 5.672,25 4.043,26 4.887,27 5.115,28 3.935,29 4.13,30 5.797,31 4.023,32 4.881,33 5.123,34 3.738,35 4.038,36 5.786,37 3.907,38 4.772,39 5.052,40 3.55,41 3.876,42 5.58,43 3.719,44 4.553,45 4.808,46 3.296,47 3.64,48 5.411,49 3.502,50 4.366,51 4.619,52 3.033,53 3.396,54 5.159,55 3.249,56 0.037,57 0.631,58 10.242,59 4.466,60 9.755,61 5.917,62 0.165,63 1.046,64 19.461,65 7.836,66 17.463,67 10.498,68 0.235,69 1.375,70 24.613,71 9.895,72 24.167,73 13.716,74 0.269,75 1.545,76 29.929,77 11.136,78 34.19,79 15.948,80 0.426,81 1.481,82 30.614,83 10.375,84 44.764,85 15.006,86 0.26,87 1.269,88 27.61,89 10.072,90 34.114,91 14.691,92 0.274,93 1.019,94 22.348,95 7.326,96 32.079,97 10.493,98 0.239,99 0.773,100 18.78,101 6.526,102 24.173,103 8.902,104 21,105 39,106 0.248,107 0.612,108 0.789,109 0.828,110 0.835,111 0.843,112 3.191,113 0.936,114 -3.73,115 -3.7,116 -3.52,121 42.2,122 1,123 3,124 2,126 2,137 1,138 1,144 2,145 2,146 3,148 2,165 1,166 1,167 1,176 10,180 6,185 2,187 15,189 2,191 1,192 6,197 2,200 12,203 2,205 1,206 4,208 1,209 1,211 4,214 11,216 4,218 1,219 2,221 1,222 1,224 2,227 7,229 2,232 4,234 1,235 1,237 2,239 7,241 2,244 5,251 3,256 5,264 1,269 3,281 535,282 15.652,283 15.652,284 15.652,285 15.652,286 15.652,287 14.079,288 19.112,289 8.807,290 16.061,291 12.726,292 12.726,293 12.726,294 12.726,295 12.726,296 10.139,297 19.085,298 4.04,299 13.206,300 4.063,301 1.961,302 0.939,303 0.717,304 0.673,305 0.628,306 3.887,310 1,311 1,312 1,313 422,314 2.646,318 154.716,320 54.24,322 123.203,324 76.823,325 1.319,326 17.934,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 49,338 192,339 4.695,340 3.501,341 6.947,342 4.299,343 3.315,344 4.618,345 0.86,346 11.718,347 3.263,348 4.244,349 3.217,350 6.347,351 3.916,352 2.942,353 3.764,354 0.86,355 9.726,356 2.869,357 3.915,358 2.906,359 5.959,360 3.572,361 2.606,362 3.242,363 0.68,364 8.341,365 2.51,366 3.643,367 2.526,368 5.503,369 3.226,370 2.248,371 2.989,373 7.218,374 2.188,375 3.514,376 2.478,377 5.364,378 3.18,379 2.203,380 2.891,382 6.763,383 2.152,384 3.055,385 2.227,386 4.998,387 2.865,388 1.892,389 2.123,391 5.656,392 1.836,393 2.916,394 2.035,395 4.666,396 2.674,397 1.691,398 1.946,400 4.902,401 1.661,402 2.709,403 1.801,404 4.445,405 2.401,406 1.489,407 1.739,409 4.087,410 1.349,411 1.952,412 1.083,413 3.628,414 1.648,415 0.739,416 0.866,418 1.679,419 0.664,420 1.545,421 0.988,422 3.261,423 1.248,424 0.39,425 0.43,427 0.593,428 0.331,429 1.324,430 0.504,431 2.951,432 1.104,433 0.131,434 0.147,436 0.343,437 0.127,438 1.269,439 0.259,440 2.711,441 0.927,447 0.884,448 0.009,449 2.587,450 0.634,451 -0.343,452 -0.364,454 -0.831,455 -0.33,456 0.652,457 -0.097,458 2.442,459 0.498,460 -0.463,461 -0.536,463 -1.097,464 -0.445,465 0.603,466 -0.539,467 2.394,468 0.208,469 -0.755,470 -0.956,472 -2.073,473 -0.719,474 10.967,475 0.477,476 0.657,477 0.029,478 27.25,479 1.185,480 12.5,481 0.543,482 14.75,483 0.641,484 21.703,485 0.944,486 25.033,487 0.556,488 18.351,489 0.798,490 5.011,491 0.218,492 6.09,493 0.265,494 0.173,496 0.456,501 0.906,502 1.159,503 0.851,504 1.078,505 1.029,506 0.97,507 1.176,508 0.947,509 0.819,510 0.834,511 0.836,512 0.797,513 0.745,514 1.25,515 0.977,516 1.147,517 0.807,518 1.098,519 0.754,520 1.184,521 0.966,522 1.112,523 0.886,524 1.07,525 1.123,526 1.03,527 1.189,528 1.04,529 1.373,530 1.1,531 0.668,532 0.982,533 0.865,534 0.971,535 0.713,536 0.947,537 1.421,538 0.921,539 1.227,540 0.995,541 1.66,542 1.057,543 1.652,544 0.908,545 1.179,546 1.013,547 1.382,548 1.042,549 5.5,550 0.041,551 2.444,552 2.375,553 2.053,554 1.028,555 0.566,556 0.323,557 0.177,558 0.138,559 5028,560 10888,561 2.115,562 48.9,563 9,564 9,567 2,568 2,572 1.663,573 1.944,574 3.048,575 0.235,576 1,577 1,579 1,582 64.315,583 1.429,584 3.531,585 4.553,586 4.775,587 4.819,588 4.864,589 2.525,590 4.002,591 4.495,592 3.13,593 791.929,594 7.769,595 8421.61,597 1,599 1,600 247.133,601 1.491,602 4.44,603 0.212,604 0.01,605 0.063,606 0.054,607 0.051,608 0.033,609 0.022,610 0.017,611 0.013,612 0.015,613 0.49,614 0.67,615 1,616 0.942,617 104.12,618 -0.03,619 0.013,620 0.065,621 0.013,622 -0.065,623 0.05,624 -0.094,625 0.111,626 0.142,627 0.214,628 0.041,629 0.206,630 0.092,631 -0.158,632 -0.044,633 -0.109,634 0.046,635 -0.097,636 0.071,637 -0.144,638 -0.011,639 -0.127,640 0.1,641 -0.09,642 -0.061,643 0.005,644 -0.201,645 -0.098,646 -0.144,647 -0.155,648 0.097,649 -0.044,650 0.103,651 -0.006,652 0.16,653 0.041,654 -0.209,655 0.077,656 -0.216,657 -0.07,658 -0.352,659 -0.124,660 -0.188,661 -0.02,662 -0.146,663 -0.061,664 -0.227,665 -0.092,666 0.974,667 2.58,668 0.739,669 15.425,670 0.993,671 1.124,672 2.501,673 6.253,674 0.656,675 3.296,676 3.689,677 4.043,678 4.407,679 4.727,680 4.942,681 5.118,682 5.323,683 5.434,684 5.509,685 4.872,686 0.616,687 310.43,688 3.296,689 4.875,690 5.771,691 6.698,692 7.611,693 8.545,694 9.464,695 10.4,696 11.321,697 12.259,698 4.4,702 1,708 1,714 2,715 2,716 1,720 5,722 11,733 1,739 2,741 45,743 12,744 1,745 26,747 48,748 19,749 9,750 4,751 2,756 4,757 10,763 1,767 3,768 2,770 3,772 11,773 8,774 2,777 1,784 1,786 1,789 1,790 1,793 22,794 4,795 2,796 4,802 2,808 0.25,809 2,822 1,829 4,831 1,833 2,835 1,849 1,850 1,859 1,864 3,868 23,869 1,876 3,878 2,880 2,893 4.4,898 2,901 11.833,902 9.033,903 5,904 2.69,907 2.734,908 1.353,909 0.999,910 3.49,911 10.475,912 3.512,913 4.182,914 4.828,915 5.479,916 6.128,917 6.599,918 7.052,919 7.511,920 7.913,921 8.087,922 0.833,923 44,924 8.521,926 3.689,927 0.026,929 7.522,931 16.767,933 14.529,936 2.022,937 46.5,938 0.001,940 1,941 235.422,942 93.712,943 49.683,945 22,948 93.712,949 257.422,950 49.683,951 30.591,952 7.604,953 61.326,954 16.786,955 49.088,957 235.422,959 235.422,960 143.395,961 22,964 235.422,965 22,968 21.33,969 95.804,970 26.262,972 235.422,973 71.682,974 93.712,977 235.422,978 34.692,979 59.02,981 71.682,982 235.422,983 71.682,984 93.712,986 0.592,987 0.368,988 0.214,989 0.121,990 22,991 10,992 0.042,993 2,994 4,995 1.412,996 3.359,997 204.289,998 0.471,999 16,1000 104.042,1005 14.827,1006 5.413,1007 2.294,1008 1.853,1009 71.682,1010 3.88,1011 4.923,1015 4.671,1017 32.897,1018 400.817,1019 32.5,1026 2.413,1028 1.476,1031 44.694,1032 50.567,1034 0.26,1035 0.643,1036 0.829,1037 0.869,1038 0.878,1039 0.886,1040 4.802,1041 1.489,1042 5.796,1043 4.902,1044 4.369,1045 4.868,1046 1.586,1047 6.691,1048 4.309,1049 6.041,1050 0.739,1051 7.405,1052 4.087,1053 4.111,1054 4.89,1056 7.703,1057 4.04,1058 7.388,1059 0.39,1060 9.109,1061 1.679,1062 6.047,1063 7.159,1064 1.285,1065 10.851,1066 5.949,1067 8.767,1068 0.131,1069 10.865,1070 0.593,1071 6.553,1072 7.968,1074 12.652,1075 6.436,1076 10.176,1078 12.655,1079 0.343,1080 8.003,1081 9.77,1082 1.035,1083 15.34,1084 7.871,1085 11.606,1086 -0.343,1087 14.468,1089 8.868,1090 10.95,1092 17.497,1093 8.716,1094 13.053,1095 -0.463,1096 16.3,1097 -0.831,1098 10.135,1099 12.576,1100 0.828,1101 20.024,1102 9.971,1103 3.315,1104 -0.755,1105 18.147,1106 -1.097,1107 11.17,1108 13.937,1110 22.344,1111 10.988,1112 2.942,1113 11.718,1114 20.005,1115 -2.073,1116 12.37,1117 15.494,1118 0.656,1119 24.816,1120 12.177,1121 2.606,1122 9.726,1123 21.874,1124 4.618,1125 13.484,1126 16.942,1128 27.208,1129 13.273,1130 2.248,1131 8.341,1132 23.752,1133 3.764,1134 14.664,1135 18.475,1136 0.515,1137 29.663,1138 14.441,1139 2.203,1140 7.218,1141 25.637,1142 3.242,1143 15.814,1144 19.964,1146 32.088,1147 15.576,1148 1.892,1149 6.763,1150 27.528,1151 2.989,1152 16.991,1153 21.49,1154 0.401,1155 34.54,1156 16.74,1157 1.691,1158 5.656,1159 29.425,1160 2.891,1161 18.159,1162 22.998,1164 36.981,1165 17.893,1166 4844,1167 7229,1168 17.224,1169 29.534,1170 39.561,1171 40.405,1172 42.234,1173 39.199,1174 39.296,1175 49.51,1176 4.8,1177 122.053,1178 37.903,1179 5.648,1180 5.501,1181 6.488,1182 5.343,1183 5.315,1184 7.618,1185 1.72,1186 19.299,1187 5.263,1188 11.771,1189 1.522,1190 1.554,1191 1.624,1192 1.508,1193 1.511,1194 1.904,1195 0.185,1196 4.694,1197 1.458,1198 4.139,1199 4.165,1200 4.103,1201 4.067,1202 5.156,1203 4.072,1204 3.881,1205 3.91,1206 3.804,1207 3.806,1208 4.887,1209 3.802,1210 3.523,1211 3.558,1212 3.45,1213 3.389,1214 4.627,1215 3.396,1216 3.305,1217 3.375,1218 3.155,1219 3.144,1220 4.495,1221 3.137,1222 3.253,1223 3.319,1224 3.082,1225 3.021,1226 4.427,1227 3.022,1228 3.186,1229 3.263,1230 3.008,1231 2.95,1232 3.996,1233 2.953,1234 3.043,1235 3.142,1236 2.817,1237 2.835,1238 3.776,1239 2.817,1240 2.959,1241 3.045,1242 2.8,1243 2.771,1244 3.585,1245 2.766,1246 0.181,1247 0.135,1248 0.267,1249 0.165,1250 0.128,1251 4.695,1252 0.178,1253 3.501,1254 0.033,1255 6.947,1256 0.451,1257 4.299,1258 0.125,1259 3.315,1260 4.618,1261 0.86,1262 11.718,1263 3.263,1264 2.093,1265 2.07,1266 2.185,1267 2.183,1268 1.532,1269 2.183,1270 1.878,1271 1.851,1272 1.993,1273 1.982,1274 1.175,1275 1.99,1276 1.482,1277 1.446,1278 1.699,1279 1.67,1280 0.918,1281 1.672,1282 1.295,1283 1.234,1284 1.586,1285 1.53,1286 0.773,1287 1.553,1288 1.203,1289 1.133,1290 1.576,1291 1.518,1292 0.625,1293 1.539,1294 1.178,1295 1.101,1296 1.491,1297 1.41,1298 0.575,1299 1.437,1300 1.056,1301 0.966,1302 1.37,1303 1.31,1304 0.522,1305 1.344,1306 0.937,1307 0.863,1308 1.213,1309 1.178,1310 0.368,1311 1.194,1312 3.97,1314 5.342,1316 6.932,1318 8.631,1320 10.386,1322 5.512,1326 6.58,1328 3.265,1330 10.826,1332 1.101,1340 27.74,1341 64.315,1342 158.892,1343 204.869,1344 214.869,1345 216.869,1346 218.869,1347 31.953,1348 7.741,1349 57.37,1350 57.37,1351 24,1352 12.759,1353 3.7,1354 2.907,1355 31.68,1356 71,1357 62,1358 0.242,1359 167.468,1360 289.76,1361 400.382,1362 21792,1364 16.137,1365 0.702,1366 0.602,1367 16.137,1368 13.849,1369 11.101,1370 0.427,1371 0.312,1372 8.008,1373 10.701,1374 7.694,1375 6.392,1376 11.101,1377 8.116,1378 10.338,1379 0.265,1380 0.172,1381 10.338,1382 6.724,1383 9.191,1384 0.164,1385 0.093,1386 9.191,1387 5.188,1388 8.471,1389 0.105,1390 0.053,1391 8.471,1392 4.28,1393 7.042,1394 0.063,1395 0.028,1396 7.042,1397 3.162,1398 0.362,1399 69.533,1400 0.241,1401 21.743,1402 0.723,1403 130,1404 322.428,1405 138.838,1406 310.634,1407 437.24,1408 294,1409 160,1410 329.753,1411 169.587,1412 339.725,1413 501.31,1414 317,1415 4.932}
{0 CHEMBL574474,1 1.744,2 7.15,3 3.038,4 9.23,5 76.71,6 7.853,7 0.286,8 3.73,9 3.83,10 3.527,11 3.276,12 4.793,13 3.214,14 4.328,15 4.489,16 3.842,17 3.688,18 5.706,19 3.609,20 4.638,21 4.844,22 4,23 3.915,24 5.723,25 3.794,26 4.798,27 4.991,28 3.956,29 3.923,30 6.056,31 3.812,32 4.771,33 4.981,34 3.721,35 3.752,36 6.049,37 3.659,38 4.528,39 4.768,40 3.392,41 3.544,42 6.035,43 3.42,44 4.258,45 4.535,46 3.006,47 3.33,48 5.07,49 3.169,50 4.124,51 4.39,52 2.831,53 2.938,54 5.322,55 2.853,56 0.169,57 0.573,58 10.683,59 3.982,60 16.637,61 4.849,62 0.439,63 0.92,64 17.45,65 6.788,66 79.048,67 8.544,68 0.387,69 1.203,70 29.721,71 9.716,72 48.551,73 11.646,74 0.667,75 1.239,76 40.48,77 11.296,78 116.541,79 12.853,80 0.956,81 1.062,82 34.316,83 9.287,84 161.712,85 11.375,86 0.869,87 0.852,88 22.928,89 7.234,90 168.912,91 10.243,92 0.225,93 0.712,94 16.799,95 5.812,96 37.994,97 8.673,98 0.363,99 0.534,100 15.584,101 3.853,102 46.21,103 5.697,104 38,105 31,106 0.316,107 0.559,108 0.707,109 0.771,110 0.771,111 0.771,112 3.059,113 1.151,114 -3.41,115 -3.39,116 -3.25,121 34.2,122 2,123 3,129 2,144 4,146 2,168 2,176 4,179 4,180 6,187 6,192 12,200 3,206 14,214 3,218 3,219 7,227 8,231 6,239 6,244 4,251 5,256 9,264 1,269 2,281 476,282 12.67,283 12.67,284 12.67,285 12.67,286 12.67,287 11.402,288 17.285,289 7.213,290 12.945,291 10.298,292 10.298,293 10.298,294 10.298,295 10.298,296 8.323,297 26.476,298 3.33,299 10.746,300 3.504,301 2.159,302 1.343,303 0.987,304 0.987,305 0.987,306 3.703,310 1,311 1,312 1,313 290,314 3.391,318 133.355,325 1.065,326 37.874,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 45,338 143,339 4.963,340 4.735,341 7.782,342 4.508,343 3.58,344 4.776,345 2.612,346 14.197,347 3.3,348 4.225,349 3.775,350 6.23,351 3.749,352 2.784,353 3.895,354 0.4,355 8.816,356 2.684,357 3.732,358 3.037,359 5.892,360 3.496,361 2.547,362 2.937,364 7.962,365 2.403,366 3.361,367 2.159,368 4.841,369 2.861,370 1.879,371 2.595,373 5.104,374 1.844,375 2.879,376 1.96,377 4.825,378 2.775,379 1.781,380 1.879,382 4.841,383 1.769,384 2.749,385 1.58,386 3.922,387 2.283,388 1.301,389 1.792,391 3.021,392 1.272,393 2.576,394 1.274,395 3.679,396 2.078,397 1.085,398 1.579,400 2.637,401 1.076,402 2.282,403 1.101,404 3.436,405 2,406 1,407 1.255,409 2.322,410 1,411 1,412 1,413 3.021,414 0.877,415 -0.105,416 -0.112,418 -0.275,419 -0.103,420 1,421 0.188,422 2.587,423 0.648,424 -0.347,425 -0.347,427 -0.757,428 -0.345,429 1,430 -0.148,431 2.352,432 0.316,433 -0.656,434 -0.935,436 -1.592,437 -0.627,438 0.81,439 -0.322,440 2,441 0.144,442 -0.833,443 -1.188,445 -2,446 -0.804,447 0.653,448 -0.492,449 2,451 -1,452 -1.248,454 -2.423,455 -1,456 0.637,457 -1,458 2,460 -1,461 -1.532,463 -3,464 -1,465 -0.212,466 -1.099,467 1.617,468 -0.242,469 -1.242,470 -1.929,472 -3.138,473 -1.242,474 9.467,475 0.473,476 0.75,477 0.037,478 24.25,479 1.213,480 12,481 0.6,482 12.25,483 0.613,484 17.287,485 0.864,486 23.533,487 0.619,488 17.743,489 0.887,490 4.159,491 0.208,492 5.177,493 0.259,494 0.246,495 0.088,496 0.296,501 0.295,502 1.432,503 0.819,504 1.371,505 0.549,506 1.104,507 0.424,508 1.21,509 0.731,510 0.986,511 0.385,512 0.994,513 0.758,514 1.111,515 1.126,516 1.163,517 0.554,518 0.978,519 1.242,520 1.199,521 1.546,522 1.455,523 1.185,524 1.096,525 1.458,526 0.838,527 1.116,528 0.945,529 1.618,530 1.001,531 0.563,532 0.798,533 0.653,534 0.724,535 0.631,536 0.97,537 0.356,538 1.141,539 0.584,540 0.947,541 0.33,542 1.099,543 1.182,544 0.925,545 0.789,546 0.808,547 1.015,548 0.982,549 5.5,551 3.556,552 2.688,553 1.391,554 0.833,555 0.286,556 0.314,557 0.054,558 0.031,559 2989,560 9748,561 1.899,562 47.4,563 2,564 6,569 10,572 1.625,573 1.702,574 2.839,575 -0.64,576 1,577 1,579 1,582 66.257,583 1.744,584 3.089,585 3.905,586 4.261,587 4.261,588 4.261,589 2.228,590 3.446,591 4.297,592 2.958,593 561.958,594 7.376,595 5590.79,596 1,597 1,598 1,599 1,600 199.421,601 1.788,602 4.189,603 0.262,605 0.115,606 0.079,607 0.042,608 0.033,609 0.014,610 0.022,611 0.005,612 0.016,613 0.589,614 0.67,615 1,616 0.953,617 86.204,618 0.277,619 -0.088,620 0.252,621 -0.062,622 -0.047,623 -0.005,624 0.306,625 -0.056,626 0.17,627 0.065,628 0.291,629 0.026,630 -0.052,631 0.026,632 0.046,633 0.023,634 0.065,635 0.059,636 -0.18,637 -0.161,638 -0.211,639 -0.201,640 -0.075,641 -0.075,642 -0.196,643 0.051,644 -0.141,645 -0.025,646 -0.274,647 -0.07,648 0.365,649 0.053,650 0.06,651 0.046,652 0.312,653 -0.016,654 0.117,655 -0.247,656 0.085,657 -0.154,658 0.048,659 -0.085,660 -0.157,661 -0.065,662 -0.039,663 -0.13,664 -0.065,665 -0.105,666 4.604,667 5.686,668 0.6,669 12,670 1.017,671 1.134,672 2.183,673 4.767,674 0.647,675 3.091,676 3.466,677 3.714,678 3.932,679 4.025,680 3.97,681 3.951,682 3.892,683 3.664,684 3.497,685 4.479,686 0.613,687 298.4,688 3.091,689 4.654,690 5.509,691 6.415,692 7.292,693 8.203,694 9.088,695 10.001,696 10.89,697 11.804,698 5.3,701 1,709 1,715 4,720 2,722 6,735 1,741 38,743 10,744 1,745 21,747 39,748 13,749 6,750 2,751 4,756 2,757 2,763 2,767 5,770 5,772 6,773 7,777 4,779 1,780 1,782 4,789 1,790 1,793 18,794 5,796 7,797 1,802 2,808 1,809 4,829 2,859 2,862 1,864 2,868 20,872 1,876 3,880 2,881 1,893 10.5,896 2,899 2,901 11.75,902 7.233,903 4.333,904 2.436,907 1.411,908 1.227,909 0.921,910 4.234,911 7.616,912 3.367,913 3.98,914 4.398,915 4.841,916 5.251,917 5.445,918 5.651,919 5.569,920 5.267,921 5.235,922 0.8,923 34,924 7.714,926 3.615,927 0.026,929 8.271,931 13.944,933 11.807,936 2.771,937 55.417,941 211.88,942 73.274,943 7.189,945 95.06,947 5.807,948 67.466,949 306.94,950 7.189,951 23.32,952 7.604,953 43.712,954 44.313,955 5.826,957 211.88,958 50.747,959 211.88,960 74.655,961 95.06,962 5.807,964 94.169,965 162.024,966 50.747,968 26.773,969 42.212,970 11.477,972 211.88,973 102.248,974 73.274,976 5.807,977 211.88,978 11.911,979 62.744,981 95.06,982 211.88,983 102.248,984 73.274,986 0.601,987 0.357,988 0.184,989 0.089,990 15,991 8,992 0.077,993 3,995 1,996 2.967,997 150.904,999 12,1000 76.439,1004 1,1005 15.11,1006 5.605,1007 2.929,1009 96.578,1010 5.242,1015 -0.212,1018 387.402,1019 28,1021 -0.581,1022 -3.688,1024 46.937,1031 38.658,1032 43.076,1034 0.332,1035 0.589,1036 0.744,1037 0.812,1038 0.812,1039 0.812,1040 4.64,1041 1,1042 5.58,1043 2.637,1044 4.143,1045 4.663,1046 2.527,1047 6.509,1048 4.054,1049 5.898,1050 -0.105,1051 7.236,1052 2.322,1053 4.111,1054 4.956,1055 2.361,1056 7.934,1057 3.917,1058 7.28,1059 -0.347,1060 9.018,1061 -0.275,1062 5.905,1063 7.008,1064 4.155,1065 11.043,1066 5.677,1067 8.707,1068 -0.656,1069 10.877,1070 -0.757,1071 6.661,1072 8.096,1073 4.506,1074 13.296,1075 6.309,1076 10.174,1077 -0.833,1078 12.786,1079 -1.592,1080 8.062,1081 9.778,1082 5.948,1083 16.065,1084 7.663,1085 11.67,1086 -1,1087 14.73,1088 -2,1089 9.13,1090 11.154,1091 6.556,1092 18.59,1093 8.615,1094 13.188,1095 -1,1096 16.699,1097 -2.423,1098 10.42,1099 12.738,1100 7.794,1101 21.275,1102 9.84,1103 3.58,1104 -1.242,1105 18.688,1106 -3,1107 11.609,1108 14.218,1109 8.548,1110 23.886,1111 10.925,1112 2.784,1113 14.197,1114 20.691,1115 -3.138,1116 12.873,1117 15.777,1118 9.67,1119 26.548,1120 12.113,1121 2.547,1122 8.816,1123 22.705,1124 4.776,1125 14.109,1126 17.299,1127 10.509,1128 29.187,1129 13.254,1130 1.879,1131 7.962,1132 24.727,1133 3.895,1134 15.372,1135 18.853,1136 11.563,1137 31.842,1138 14.435,1139 1.781,1140 5.104,1141 26.756,1142 2.937,1143 16.628,1144 20.394,1145 12.452,1146 34.491,1147 15.601,1148 1.301,1149 4.841,1150 28.79,1151 2.595,1152 17.894,1153 21.948,1154 13.468,1155 37.145,1156 16.783,1157 1.085,1158 3.021,1159 30.828,1160 1.879,1161 19.16,1162 23.499,1163 14.386,1164 39.796,1165 17.962,1166 3143,1167 5866,1168 12.83,1169 24.568,1170 32.201,1171 34.257,1172 34.112,1173 31.957,1174 31.915,1175 41.416,1176 6.025,1177 97.801,1178 30.695,1179 5.963,1180 6.735,1181 7.327,1182 5.558,1183 5.58,1184 7.776,1185 4.612,1186 22.603,1187 5.3,1188 12.572,1189 1.533,1190 1.631,1191 1.624,1192 1.522,1193 1.52,1194 1.972,1195 0.287,1196 4.657,1197 1.462,1198 4.126,1199 4.118,1200 4.744,1201 4.089,1202 7.815,1203 4.01,1204 3.878,1205 3.92,1206 3.873,1207 3.729,1208 7.715,1209 3.726,1210 3.648,1211 3.635,1212 3.656,1213 3.495,1214 6.999,1215 3.431,1216 3.367,1217 3.452,1218 3.36,1219 3.217,1220 6.999,1221 3.19,1222 3.364,1223 3.379,1224 3.151,1225 2.998,1226 4.652,1227 3.071,1228 3.136,1229 3.224,1230 2.899,1231 2.941,1232 4.335,1233 2.912,1234 2.703,1235 2.81,1236 2.568,1237 2.527,1238 3.903,1239 2.522,1240 2.679,1241 2.764,1242 2.412,1243 2.433,1244 3.661,1245 2.387,1246 0.236,1247 0.225,1248 0.371,1249 0.215,1250 0.17,1251 4.963,1252 0.227,1253 4.735,1254 0.124,1255 7.782,1256 0.676,1257 4.508,1258 0.157,1259 3.58,1260 4.776,1261 2.612,1262 14.197,1263 3.3,1264 1.996,1265 1.999,1266 2.071,1267 2.119,1268 1.456,1269 2.133,1270 1.839,1271 1.789,1272 1.985,1273 2.019,1274 1.153,1275 2.008,1276 1.42,1277 1.449,1278 1.733,1279 1.709,1280 0.97,1281 1.669,1282 1.405,1283 1.325,1284 1.578,1285 1.606,1286 0.799,1287 1.655,1288 1.186,1289 1.122,1290 1.277,1291 1.487,1292 0.52,1293 1.498,1294 1.11,1295 1.059,1296 1.209,1297 1.366,1298 0.398,1299 1.403,1300 0.737,1301 0.613,1302 1.147,1303 1.034,1304 0.213,1305 1.102,1306 0.662,1307 0.611,1308 0.937,1309 0.909,1310 0.111,1311 0.939,1312 3.761,1314 5.118,1316 6.683,1318 8.345,1320 10.055,1322 3.759,1328 2.639,1332 -0.161,1333 1.482,1340 23.304,1341 66.257,1342 117.363,1343 148.402,1344 161.911,1345 161.911,1346 161.911,1347 61.529,1348 6.205,1349 83.2,1350 91.58,1351 12,1352 12.321,1353 3.459,1354 3,1355 36.105,1356 52,1357 50,1358 0.35,1359 149.679,1360 262.95,1361 356.977,1362 3059,1364 14.914,1365 0.746,1366 0.617,1367 15.164,1368 12.338,1369 9.336,1370 0.445,1371 0.384,1372 6.649,1373 8.127,1374 6.332,1375 5.282,1376 10.125,1377 8.058,1378 9.1,1379 0.294,1380 0.228,1381 10.382,1382 7.062,1383 7.114,1384 0.178,1385 0.146,1386 8.485,1387 5.841,1388 5.929,1389 0.119,1390 0.093,1391 7.347,1392 4.673,1393 3.995,1394 0.073,1395 0.054,1396 5.042,1397 2.996,1398 0.518,1399 67.281,1400 0.279,1401 19.282,1402 1.062,1403 104,1404 367.093,1405 157.452,1406 366.441,1407 477.58,1408 330,1409 123,1410 320.103,1411 187,1412 352.334,1413 510.61,1414 328,1415 6.717}
{0 CHEMBL574487,1 1.744,2 7.85,3 3.038,4 9.23,5 76.71,6 7.853,7 0.286,8 3.73,9 3.83,10 3.527,11 3.276,12 4.793,13 3.214,14 4.328,15 4.489,16 3.842,17 3.688,18 5.705,19 3.609,20 4.638,21 4.844,22 4,23 3.915,24 5.725,25 3.794,26 4.798,27 4.991,28 3.901,29 3.917,30 6.078,31 3.802,32 4.761,33 4.984,34 3.499,35 3.723,36 5.991,37 3.607,38 4.422,39 4.684,40 3.347,41 3.533,42 5.337,43 3.362,44 4.313,45 4.575,46 3.124,47 3.289,48 5.83,49 3.126,50 3.922,51 4.24,52 2.618,53 2.795,54 4.705,55 2.651,56 0.169,57 0.573,58 10.683,59 3.982,60 16.637,61 4.849,62 0.439,63 0.92,64 17.45,65 6.788,66 79.009,67 8.544,68 0.387,69 1.203,70 29.721,71 9.716,72 48.744,73 11.646,74 0.668,75 1.228,76 40.563,77 11.476,78 112.445,79 12.899,80 0.914,81 1.027,82 32.377,83 8.925,84 173.389,85 11.355,86 0.435,87 0.83,88 22.287,89 7.434,90 58.219,91 10.305,92 0.663,93 0.683,94 18.501,95 5.999,96 129.365,97 8.889,98 0.211,99 0.455,100 13.299,101 3.638,102 36.826,103 5.734,104 38,105 31,106 0.316,107 0.559,108 0.688,109 0.733,110 0.733,111 0.733,112 3.059,113 1.151,114 -3.41,115 -3.39,116 -3.25,121 34.2,122 2,123 3,129 2,144 4,146 2,168 2,176 4,179 4,180 6,187 5,192 13,200 4,206 18,214 3,219 2,227 8,231 3,239 10,243 6,251 2,256 4,269 9,281 482,282 12.67,283 12.67,284 12.67,285 12.67,286 12.67,287 11.402,288 17.285,289 7.167,290 12.945,291 10.281,292 10.281,293 10.281,294 10.281,295 10.281,296 8.317,297 25.556,298 3.293,299 10.735,300 3.504,301 2.159,302 1.448,303 1.198,304 1.198,305 1.198,306 3.703,310 1,311 1,312 1,313 319,314 3.391,318 136.423,325 1.265,326 37.035,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 45,338 157,339 4.96,340 4.734,341 7.78,342 4.505,343 3.578,344 4.77,345 2.612,346 14.188,347 3.298,348 4.224,349 3.777,350 6.207,351 3.732,352 2.766,353 3.901,354 0.4,355 8.642,356 2.671,357 3.746,358 3.037,359 5.905,360 3.528,361 2.58,362 2.959,364 8.076,365 2.429,366 3.362,367 2.166,368 4.846,369 2.861,370 1.879,371 2.587,373 5.104,374 1.844,375 2.879,376 1.96,377 4.841,378 2.786,379 1.792,380 1.879,382 4.94,383 1.78,384 2.787,385 1.621,386 3.923,387 2.252,388 1.271,389 1.822,391 2.984,392 1.243,393 2.5,394 1.245,395 3.693,396 2.063,397 1.069,398 1.5,400 2.626,401 1.062,402 2.284,403 1,404 3.414,405 2,406 1,407 1.259,409 2.275,410 1,411 1,412 1,413 3.021,414 0.881,415 -0.099,416 -0.105,418 -0.259,419 -0.097,420 1,421 0.339,422 2.577,423 0.648,424 -0.347,425 -0.347,427 -0.757,428 -0.345,429 1,430 -0.114,431 2.352,432 0.454,433 -0.507,434 -0.715,436 -1.215,437 -0.479,438 0.956,439 -0.322,440 2,442 -1,443 -1.247,445 -2,446 -1,447 0.653,448 -0.678,449 2,451 -1,452 -1.5,454 -3,455 -1,456 0.5,457 -1,458 2,460 -1,461 -1.532,463 -3,464 -1,465 -0.206,466 -1,467 1.81,468 -0.242,469 -1.242,470 -1.901,472 -3.138,473 -1.241,474 9.467,475 0.473,476 0.75,477 0.037,478 24.25,479 1.213,480 12,481 0.6,482 12.25,483 0.613,484 17.165,485 0.858,486 23.533,487 0.619,488 17.492,489 0.875,490 4.159,491 0.208,492 5.177,493 0.259,494 0.246,495 0.088,496 0.296,501 0.295,502 1.432,503 0.819,504 1.371,505 0.549,506 1.104,507 0.424,508 1.21,509 0.731,510 0.986,511 0.386,512 0.994,513 0.758,514 1.111,515 1.126,516 1.163,517 0.553,518 0.978,519 1.26,520 1.182,521 1.612,522 1.479,523 1.167,524 1.128,525 1.583,526 0.791,527 1.094,528 0.803,529 1.667,530 0.99,531 0.372,532 0.893,533 0.665,534 0.952,535 0.547,536 1.057,537 0.107,538 0.966,539 0.548,540 0.874,541 0.17,542 1.077,543 0.461,544 0.984,545 0.428,546 0.718,547 0.42,548 0.774,549 5.5,550 0.025,551 3.778,552 2.688,553 1.293,554 0.778,555 0.364,556 0.229,557 0.185,558 0.044,559 3133,560 10432,561 1.899,562 47.4,563 2,564 6,569 10,572 1.621,573 1.702,574 2.925,575 -0.64,576 1,577 1,579 1,582 66.257,583 1.744,584 3.089,585 3.8,586 4.05,587 4.05,588 4.05,589 2.448,590 3.422,591 4.292,592 3.081,593 585.393,594 7.35,595 5813.92,596 1,597 1,598 1,599 1,600 199.421,601 1.788,602 4.189,603 0.262,604 0.012,605 0.122,606 0.079,607 0.04,608 0.037,609 0.021,610 0.016,611 0.021,612 0.005,613 0.616,614 0.67,615 1,616 0.953,617 87.004,618 0.277,619 -0.088,620 0.252,621 -0.062,622 -0.047,623 -0.005,624 0.306,625 -0.056,626 0.17,627 0.065,628 0.291,629 0.026,630 -0.052,631 0.026,632 0.046,633 0.023,634 0.066,635 0.059,636 -0.198,637 -0.144,638 -0.278,639 -0.226,640 -0.057,641 -0.109,642 -0.337,643 0.046,644 -0.209,645 0.051,646 -0.321,647 -0.063,648 0.209,649 0.014,650 0.138,651 -0.053,652 -0.015,653 -0.026,654 0.627,655 -0.129,656 0.16,657 -0.101,658 0.533,659 -0.096,660 0.146,661 -0.183,662 0.313,663 0.005,664 0.072,665 0.196,666 4.509,667 5.645,668 0.6,669 13.51,670 1.017,671 1.134,672 2.183,673 4.767,674 0.647,675 3.091,676 3.466,677 3.714,678 3.912,679 3.97,680 3.989,681 4.007,682 3.85,683 3.807,684 3.367,685 4.752,686 0.613,687 298.4,688 3.091,689 4.654,690 5.509,691 6.412,692 7.286,693 8.194,694 9.075,695 9.986,696 10.871,697 11.784,698 5.3,701 1,709 1,715 4,720 2,722 6,735 1,741 38,743 10,744 1,745 21,747 39,748 13,749 6,750 2,751 4,756 2,757 2,763 2,767 5,770 5,772 6,773 7,777 4,779 1,780 1,782 4,789 1,790 1,793 18,794 5,796 7,797 1,802 2,808 1,809 4,829 2,859 2,862 1,864 2,868 20,872 1,876 3,880 2,881 1,893 10.5,896 2,899 2,901 11.75,902 7.233,903 4.333,904 2.436,907 1.383,908 1.223,909 0.921,910 4.234,911 7.588,912 3.367,913 3.98,914 4.398,915 4.823,916 5.178,917 5.471,918 5.887,919 5.254,920 5.447,921 4.953,922 1,923 34,924 7.685,926 3.575,927 0.026,929 8.271,931 13.944,933 11.807,936 2.771,937 55.417,941 211.88,942 73.274,943 7.189,945 95.06,947 5.807,948 67.466,949 306.94,950 7.189,951 23.32,952 7.604,953 43.712,954 44.313,955 5.826,957 211.88,958 50.747,959 211.88,960 74.655,961 95.06,962 5.807,964 94.169,965 162.024,966 50.747,968 26.773,969 42.212,970 11.477,972 211.88,973 102.248,974 73.274,976 5.807,977 211.88,978 11.911,979 62.744,981 95.06,982 211.88,983 102.248,984 73.274,986 0.603,987 0.358,988 0.18,989 0.08,990 15,991 8,992 0.077,993 3,995 1,996 3.001,997 149.235,999 12,1000 72.439,1004 1,1005 15.11,1006 5.605,1007 2.929,1009 96.578,1010 5.071,1015 0.007,1018 387.402,1019 28,1021 -0.539,1022 -3.592,1024 46.517,1031 38.658,1032 43.076,1034 0.332,1035 0.589,1036 0.724,1037 0.772,1038 0.772,1039 0.772,1040 4.64,1041 1,1042 5.58,1043 2.626,1044 4.143,1045 4.663,1046 2.527,1047 6.506,1048 4.054,1049 5.898,1050 -0.099,1051 7.236,1052 2.275,1053 4.111,1054 4.956,1055 2.361,1056 7.934,1057 3.917,1058 7.28,1059 -0.347,1060 9.018,1061 -0.259,1062 5.905,1063 7.008,1064 4.155,1065 11.035,1066 5.677,1067 8.707,1068 -0.507,1069 10.876,1070 -0.757,1071 6.661,1072 8.096,1073 4.506,1074 13.292,1075 6.309,1076 10.174,1077 -1,1078 12.784,1079 -1.215,1080 8.06,1081 9.776,1082 5.948,1083 16.058,1084 7.661,1085 11.669,1086 -1,1087 14.727,1088 -2,1089 9.127,1090 11.151,1091 6.556,1092 18.584,1093 8.612,1094 13.187,1095 -1,1096 16.696,1097 -3,1098 10.415,1099 12.733,1100 7.794,1101 21.267,1102 9.836,1103 3.578,1104 -1.242,1105 18.685,1106 -3,1107 11.603,1108 14.212,1109 8.548,1110 23.879,1111 10.919,1112 2.766,1113 14.188,1114 20.688,1115 -3.138,1116 12.866,1117 15.769,1118 9.67,1119 26.54,1120 12.106,1121 2.58,1122 8.642,1123 22.701,1124 4.77,1125 14.101,1126 17.29,1127 10.509,1128 29.179,1129 13.245,1130 1.879,1131 8.076,1132 24.724,1133 3.901,1134 15.363,1135 18.842,1136 11.563,1137 31.834,1138 14.425,1139 1.792,1140 5.104,1141 26.752,1142 2.959,1143 16.618,1144 20.382,1145 12.452,1146 34.482,1147 15.59,1148 1.271,1149 4.94,1150 28.786,1151 2.587,1152 17.883,1153 21.935,1154 13.468,1155 37.135,1156 16.772,1157 1.069,1158 2.984,1159 30.824,1160 1.879,1161 19.148,1162 23.484,1163 14.386,1164 39.786,1165 17.949,1166 3281,1167 6178,1168 12.83,1169 24.568,1170 32.15,1171 34.092,1172 34.119,1173 31.913,1174 31.868,1175 41.355,1176 6.025,1177 97.67,1178 30.653,1179 5.96,1180 6.734,1181 7.326,1182 5.555,1183 5.578,1184 7.77,1185 4.612,1186 22.57,1187 5.298,1188 12.757,1189 1.531,1190 1.623,1191 1.625,1192 1.52,1193 1.518,1194 1.969,1195 0.287,1196 4.651,1197 1.46,1198 4.123,1199 4.116,1200 4.744,1201 4.088,1202 7.815,1203 4.008,1204 3.883,1205 3.924,1206 3.88,1207 3.731,1208 7.715,1209 3.729,1210 3.664,1211 3.654,1212 3.657,1213 3.505,1214 6.999,1215 3.449,1216 3.367,1217 3.452,1218 3.329,1219 3.217,1220 6.999,1221 3.19,1222 3.312,1223 3.33,1224 3.151,1225 2.967,1226 4.648,1227 3.001,1228 3.128,1229 3.202,1230 2.897,1231 2.857,1232 4.335,1233 2.882,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 3.903,1239 2.715,1240 2.679,1241 2.81,1242 2.32,1243 2.433,1244 3.674,1245 2.387,1246 0.236,1247 0.225,1248 0.37,1249 0.215,1250 0.17,1251 4.96,1252 0.227,1253 4.734,1254 0.124,1255 7.78,1256 0.676,1257 4.505,1258 0.157,1259 3.578,1260 4.77,1261 2.612,1262 14.188,1263 3.298,1264 1.995,1265 1.998,1266 2.071,1267 2.117,1268 1.456,1269 2.132,1270 1.84,1271 1.791,1272 1.985,1273 2.022,1274 1.152,1275 2.009,1276 1.439,1277 1.466,1278 1.733,1279 1.72,1280 0.97,1281 1.688,1282 1.405,1283 1.325,1284 1.578,1285 1.606,1286 0.8,1287 1.655,1288 1.183,1289 1.098,1290 1.248,1291 1.466,1292 0.523,1293 1.489,1294 0.982,1295 0.973,1296 1.209,1297 1.326,1298 0.398,1299 1.331,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.737,1307 0.611,1308 0.969,1309 1.034,1310 0.109,1311 1.102,1312 3.761,1314 5.118,1316 6.683,1318 8.343,1320 10.049,1322 3.803,1328 2.71,1332 -0.085,1333 1.525,1340 23.304,1341 66.257,1342 117.363,1343 144.402,1344 153.911,1345 153.911,1346 153.911,1347 60.396,1348 6.205,1349 83.2,1350 91.58,1351 12,1352 12.303,1353 3.459,1354 3,1355 36.307,1356 55,1357 58,1358 0.333,1359 149.679,1360 262.95,1361 356.977,1362 3059,1364 14.914,1365 0.746,1366 0.617,1367 15.164,1368 12.338,1369 9.336,1370 0.445,1371 0.384,1372 6.649,1373 8.127,1374 6.332,1375 5.281,1376 10.125,1377 8.058,1378 9.088,1379 0.293,1380 0.228,1381 10.37,1382 7.058,1383 7.171,1384 0.179,1385 0.147,1386 8.556,1387 5.878,1388 5.95,1389 0.121,1390 0.094,1391 7.358,1392 4.615,1393 3.705,1394 0.071,1395 0.056,1396 4.63,1397 2.913,1398 0.5,1399 67.281,1400 0.279,1401 19.501,1402 0.978,1403 104,1404 367.093,1405 157.452,1406 366.376,1407 477.56,1408 330,1409 123,1410 320.103,1411 187,1412 352.197,1413 510.32,1414 328,1415 5.939}
{0 CHEMBL574746,1 1.374,2 6.9,3 3.038,4 9.228,5 81.63,6 6.71,7 0.435,8 3.79,9 3.915,10 3.291,11 3.371,12 4.761,13 3.327,14 4.383,15 4.565,16 3.74,17 3.839,18 5.26,19 3.774,20 4.647,21 4.834,22 3.839,23 4.027,24 5.53,25 3.937,26 4.811,27 5.052,28 3.765,29 4.021,30 5.684,31 3.892,32 4.747,33 5.017,34 3.459,35 3.856,36 5.588,37 3.707,38 4.576,39 4.866,40 3.25,41 3.665,42 5.306,43 3.489,44 4.273,45 4.526,46 2.825,47 3.403,48 5.048,49 3.212,50 4.185,51 4.536,52 2.304,53 3.117,54 4.691,55 2.82,56 0.045,57 0.573,58 9.34,59 4.004,60 7.692,61 5.488,62 0.132,63 0.975,64 17.515,65 7.37,66 12.998,67 10.248,68 0.148,69 1.268,70 23.098,71 9.163,72 18.088,73 12.871,74 0.278,75 1.427,76 28.053,77 10.309,78 32.077,79 14.969,80 0.325,81 1.313,82 27.052,83 8.464,84 36.645,85 12.751,86 0.178,87 1.029,88 22.494,89 8.415,90 23.564,91 12.204,92 0.183,93 0.77,94 16.58,95 6.035,96 19.862,97 8.556,98 0.094,99 0.635,100 15.272,101 6.095,102 12.961,103 8.978,104 17,105 36,106 0.245,107 0.582,108 0.758,109 0.849,110 0.849,111 0.849,112 3.061,113 0.965,114 -4.43,115 -4.36,116 -4.11,121 42.5,122 3,123 3,124 2,137 1,138 1,145 3,146 1,148 1,154 1,163 1,165 1,166 1,167 1,176 11,179 1,180 6,185 2,187 16,189 2,192 4,197 2,200 13,203 2,206 7,208 2,209 2,211 4,214 10,216 4,219 3,224 3,227 7,229 3,232 4,237 2,239 9,241 2,244 1,251 7,256 1,264 4,277 1,281 368,282 13.257,283 13.257,284 13.257,285 13.257,286 13.257,287 11.689,288 15.162,289 7.336,290 13.322,291 11.347,292 11.347,293 11.347,294 11.347,295 11.347,296 8.937,297 15.142,298 3.511,299 11.468,300 3.948,301 2.056,302 1.063,303 0.557,304 0.557,305 0.557,306 3.754,310 1,311 1,312 1,313 308,314 2.236,317 28.67,318 91.652,320 42.739,321 47.485,322 48.881,324 62.209,325 1.02,326 14.626,327 1,328 1,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 42,338 138,339 4.769,340 3.53,341 7.057,342 4.357,343 3.369,344 4.733,345 0.68,346 12.082,347 3.327,348 4.253,349 3.19,350 6.531,351 3.978,352 2.98,353 3.737,355 10.2,356 2.972,357 3.827,358 2.795,359 5.608,360 3.476,361 2.481,362 3.112,364 7.508,365 2.468,366 3.509,367 2.491,368 5.409,369 3.182,370 2.207,371 2.884,373 6.85,374 2.154,375 3.362,376 2.228,377 5.335,378 2.987,379 1.996,380 2.637,382 6.211,383 1.978,384 3.014,385 2.081,386 5.004,387 2.848,388 1.867,389 2.05,391 5.632,392 1.828,393 2.88,394 1.81,395 4.662,396 2.631,397 1.64,398 1.91,400 4.854,401 1.624,402 2.471,403 1.473,404 4.302,405 2.163,406 1.176,407 1.462,409 3.325,410 1.159,411 1.384,412 0.549,413 3.356,414 1.175,415 0.182,416 0.204,418 0.541,419 0.181,420 1.245,421 0.147,422 3.029,423 0.898,424 -0.053,425 -0.065,427 -0.152,428 -0.05,429 0.931,430 0.033,431 2.695,432 0.722,433 -0.264,434 -0.298,436 -0.65,437 -0.26,438 0.645,439 0.009,440 2.5,441 0.597,442 -0.4,443 -0.415,445 -1.018,446 -0.398,447 0.587,448 -0.545,449 2.346,450 0.257,451 -0.726,452 -0.882,454 -2.041,455 -0.712,456 0.263,457 -0.606,458 2.194,459 0.068,460 -0.924,461 -1.013,463 -2.73,464 -0.915,465 0.016,466 -0.896,467 1.916,468 -0.213,469 -1.204,470 -1.414,472 -3.252,473 -1.191,474 9.633,475 0.482,476 0.716,477 0.036,478 22.25,479 1.113,480 9.5,481 0.475,482 12.75,483 0.638,484 20.362,485 1.018,486 21.567,487 0.539,488 12.804,489 0.64,490 3.797,491 0.19,492 5.745,493 0.287,494 0.197,496 0.519,501 0.924,502 1.105,503 0.879,504 1.021,505 1.127,506 0.953,507 0.647,508 0.996,509 0.706,510 0.923,511 0.5,512 0.839,513 1.084,514 1.272,515 1.049,516 1.168,517 0.988,518 1.119,519 0.927,520 1.216,521 1.029,522 1.129,523 0.913,524 1.097,525 1.629,526 0.904,527 1.283,528 0.92,529 1.873,530 1.024,531 0.911,532 0.916,533 0.908,534 0.944,535 0.914,536 0.93,537 1.62,538 1.01,539 1.42,540 1.162,541 1.521,542 1.258,543 0.261,544 0.777,545 0.744,546 0.891,547 0.231,548 0.874,549 5,551 2.222,552 2.792,553 1.449,554 0.952,555 0.324,556 0.268,557 0.108,559 3394,560 6490,561 2.132,562 50,563 12,564 1,567 2,568 5,572 1.625,573 1.935,574 2.796,575 0.262,577 1,579 1,582 54.952,583 1.374,584 3.266,585 4.259,586 4.765,587 4.765,588 4.765,589 2.243,590 3.984,591 4.299,592 2.863,593 543.911,594 7.375,595 5192.35,596 1,597 1,598 1,599 1,600 212.877,601 1.485,602 4.229,603 0.217,605 0.062,606 0.073,607 0.044,608 0.041,609 0.017,610 0.024,611 0.018,613 0.497,614 0.83,615 1,616 0.68,617 84.764,618 -0.033,619 0.066,620 0.066,621 0.064,622 -0.122,623 0.077,624 0.219,625 0.066,626 0.247,627 0.134,628 0.241,629 0.185,630 -0.063,631 -0.205,632 -0.086,633 -0.142,634 -0.07,635 -0.123,636 0.098,637 -0.205,638 -0.05,639 -0.159,640 0.164,641 -0.131,642 -0.307,643 0.144,644 -0.266,645 -0.024,646 -0.389,647 -0.115,648 0.01,649 -0.009,650 0.067,651 0.017,652 0.05,653 0.045,654 -0.318,655 -0.048,656 -0.428,657 -0.204,658 -0.373,659 -0.308,660 0.156,661 0.014,662 0.195,663 0.073,664 0.238,665 0.128,666 0.947,667 2.515,668 0.8,669 10.18,670 0.987,671 1.124,672 3.197,673 10.221,674 0.658,675 3.178,676 3.611,677 3.97,678 4.357,679 4.625,680 4.836,681 5.011,682 5.226,683 5.231,684 5.298,685 4.168,686 0.612,687 268.39,688 3.178,689 4.779,690 5.687,691 6.629,692 7.551,693 8.498,694 9.424,695 10.372,696 11.301,697 12.25,698 5,702 1,708 1,714 2,716 1,718 1,720 5,722 10,733 1,741 40,743 11,745 23,747 43,748 17,749 7,756 4,757 10,763 3,767 3,768 2,770 3,772 9,773 8,774 2,777 1,784 1,786 1,789 1,790 1,792 1,793 20,794 3,795 2,796 3,802 2,808 0.25,809 1,822 1,828 1,829 3,831 1,832 1,833 1,835 1,849 1,850 1,859 1,864 3,868 20,869 1,876 3,880 2,893 2.5,898 1,901 10.333,902 8.2,903 4.111,904 2.586,907 2.471,908 1.332,909 1.026,910 2.481,911 9.925,912 3.401,913 4.115,914 4.77,915 5.445,916 5.991,917 6.449,918 6.899,919 7.347,920 7.526,921 7.731,922 0.8,923 38,924 7.438,926 3.296,927 0.026,929 7.45,931 14.819,933 13.277,936 1.95,937 39,938 0.002,941 211.88,942 71.055,943 49.683,945 9.507,948 71.055,949 221.387,950 49.683,951 26.476,952 7.604,953 42.373,954 21.193,955 27.151,956 5.449,957 211.88,959 211.88,960 120.738,961 9.507,964 211.88,965 9.507,968 41.243,969 53.232,970 26.262,972 211.88,973 59.19,974 71.055,977 211.88,978 35.103,979 35.952,981 59.19,982 211.88,983 59.19,984 71.055,986 0.613,987 0.373,988 0.216,989 0.117,990 22,991 10,994 4,995 1.438,996 3.092,997 172.765,998 0.5,999 15,1000 86.439,1005 12.311,1006 4.031,1007 1.669,1008 1.754,1009 59.19,1011 4.79,1013 5.782,1015 5.438,1017 32.897,1018 342.125,1019 29,1026 2.417,1028 1.497,1031 39.483,1032 44.943,1034 0.258,1035 0.614,1036 0.8,1037 0.895,1038 0.895,1039 0.895,1040 4.714,1041 1.176,1042 5.733,1043 4.854,1044 4.29,1045 4.8,1046 0.655,1047 6.653,1048 4.269,1049 5.976,1050 0.182,1051 7.361,1052 3.325,1053 4.111,1054 4.89,1056 7.703,1057 4.081,1058 7.337,1059 -0.053,1060 9.082,1061 0.541,1062 5.994,1063 7.123,1064 0.356,1065 10.879,1066 5.953,1067 8.73,1068 -0.264,1069 10.855,1070 -0.152,1071 6.567,1072 8.013,1074 12.744,1075 6.518,1076 10.154,1077 -0.4,1078 12.663,1079 -0.65,1080 7.997,1081 9.797,1082 0.18,1083 15.461,1084 7.938,1085 11.6,1086 -0.726,1087 14.496,1088 -1.018,1089 8.918,1090 11.057,1092 17.683,1093 8.849,1094 13.066,1095 -0.924,1096 16.348,1097 -2.041,1098 10.185,1099 12.682,1100 0.087,1101 20.241,1102 10.105,1103 3.369,1104 -1.204,1105 18.217,1106 -2.73,1107 11.262,1108 14.107,1110 22.613,1111 11.171,1112 2.98,1113 12.082,1114 20.099,1115 -3.252,1116 12.475,1117 15.678,1118 0.041,1119 25.115,1120 12.372,1121 2.481,1122 10.2,1123 21.991,1124 4.733,1125 13.62,1126 17.174,1128 27.549,1129 13.504,1130 2.207,1131 7.508,1132 23.893,1133 3.737,1134 14.817,1135 18.729,1136 0.019,1137 30.035,1138 14.689,1139 1.996,1140 6.85,1141 25.801,1142 3.112,1143 15.993,1144 20.256,1146 32.496,1147 15.851,1148 1.867,1149 6.211,1150 27.717,1151 2.884,1152 17.188,1153 21.806,1154 0.009,1155 34.978,1156 17.034,1157 1.64,1158 5.632,1159 29.637,1160 2.637,1161 18.378,1162 23.348,1164 37.451,1165 18.21,1166 3247,1167 4591,1168 15.145,1169 26.319,1170 36.242,1171 36.254,1172 38.182,1173 35.83,1174 35.798,1175 45.458,1176 1.36,1177 114.406,1178 35.382,1179 5.722,1180 5.53,1181 6.057,1182 5.403,1183 5.369,1184 7.733,1185 1.36,1186 19.76,1187 5.327,1188 10.354,1189 1.576,1190 1.576,1191 1.66,1192 1.558,1193 1.556,1194 1.976,1195 0.059,1196 4.974,1197 1.538,1198 4.157,1199 4.176,1200 4.127,1201 4.059,1202 5.233,1203 4.071,1204 3.89,1205 3.919,1206 3.809,1207 3.797,1208 4.931,1209 3.797,1210 3.481,1211 3.535,1212 3.382,1213 3.371,1214 4.529,1215 3.366,1216 3.265,1217 3.344,1218 3.114,1219 3.115,1220 4.277,1221 3.102,1222 3.158,1223 3.239,1224 2.985,1225 2.995,1226 3.913,1227 2.98,1228 3.089,1229 3.191,1230 2.851,1231 2.875,1232 3.78,1233 2.85,1234 2.93,1235 3.048,1236 2.706,1237 2.637,1238 3.581,1239 2.633,1240 2.813,1241 2.889,1242 2.614,1243 2.603,1244 3.561,1245 2.615,1246 0.207,1247 0.153,1248 0.307,1249 0.189,1250 0.146,1251 4.769,1252 0.206,1253 3.53,1254 0.03,1255 7.057,1256 0.525,1257 4.357,1258 0.145,1259 3.369,1260 4.733,1261 0.68,1262 12.082,1263 3.327,1264 2.045,1265 2.017,1266 2.164,1267 2.141,1268 1.528,1269 2.149,1270 1.76,1271 1.729,1272 1.892,1273 1.864,1274 1.084,1275 1.874,1276 1.565,1277 1.533,1278 1.759,1279 1.778,1280 0.926,1281 1.767,1282 1.339,1283 1.28,1284 1.621,1285 1.536,1286 0.806,1287 1.571,1288 1.195,1289 1.13,1290 1.502,1291 1.407,1292 0.715,1293 1.438,1294 1.099,1295 0.997,1296 1.48,1297 1.358,1298 0.581,1299 1.409,1300 0.839,1301 0.749,1302 1.197,1303 1.228,1304 0.401,1305 1.225,1306 0.805,1307 0.729,1308 1.13,1309 1.032,1310 0.248,1311 1.073,1312 3.85,1314 5.252,1315 2.398,1316 6.853,1317 4.844,1318 8.555,1319 7.018,1320 10.311,1322 6.294,1326 6.515,1328 3.344,1332 1.169,1340 24.499,1341 54.952,1342 130.635,1343 170.348,1344 190.612,1345 190.612,1346 190.612,1347 25.935,1348 7.454,1349 52.05,1350 52.05,1351 23,1352 12.743,1353 3.585,1354 2.807,1355 25.978,1356 52,1357 46,1358 0.27,1359 147.215,1360 249.01,1361 350.963,1362 15017,1364 14.016,1365 0.701,1366 0.614,1367 14.016,1368 12.286,1369 9.542,1370 0.415,1371 0.322,1372 7.342,1373 9.325,1374 7.02,1375 5.818,1376 9.542,1377 7.395,1378 9.516,1379 0.264,1380 0.18,1381 9.516,1382 6.463,1383 8.345,1384 0.16,1385 0.096,1386 8.345,1387 5.013,1388 7.856,1389 0.102,1390 0.053,1391 7.856,1392 4.075,1393 6.162,1394 0.061,1395 0.029,1396 6.162,1397 2.902,1398 0.394,1399 58.764,1400 0.257,1401 18.953,1402 0.837,1403 118,1404 256.693,1405 125.399,1406 254.224,1407 366.98,1408 240,1409 147,1410 291.935,1411 154.816,1412 297.857,1413 444.98,1414 281,1415 5.321}
{0 CHEMBL574747,1 1.448,2 7.619,3 2.647,4 7.005,5 81.412,6 7.035,7 0.4,8 3.821,9 3.942,10 3.372,11 3.401,12 4.775,13 3.371,14 4.406,15 4.579,16 3.766,17 3.839,18 5.299,19 3.777,20 4.668,21 4.881,22 3.854,23 3.972,24 5.557,25 3.89,26 4.743,27 4.986,28 3.77,29 3.942,30 5.625,31 3.843,32 4.629,33 4.87,34 3.523,35 3.794,36 5.492,37 3.676,38 4.521,39 4.803,40 3.371,41 3.602,42 5.348,43 3.482,44 4.187,45 4.417,46 2.942,47 3.347,48 5.058,49 3.209,50 4.044,51 4.338,52 2.642,53 3.18,54 4.587,55 2.98,56 0.036,57 0.611,58 9.026,59 3.878,60 6.386,61 5.252,62 0.165,63 1.025,64 17.275,65 7.12,66 14.055,67 9.926,68 0.184,69 1.297,70 23.386,71 8.83,72 22.112,73 12.537,74 0.325,75 1.338,76 26.322,77 8.896,78 32.494,79 12.941,80 0.263,81 1.199,82 23.469,83 7.475,84 26.998,85 11.004,86 0.236,87 1.019,88 21.781,89 6.823,90 26.19,91 10.237,92 0.214,93 0.742,94 15.116,95 4.832,96 23.655,97 6.872,98 0.096,99 0.602,100 13.203,101 5.131,102 9.952,103 7.501,104 5,105 39,106 0.257,107 0.591,108 0.77,109 0.842,110 0.842,111 0.842,112 3.106,113 0.954,114 -4.43,115 -4.36,116 -4.11,121 42.5,122 1,123 5,124 3,137 1,138 1,145 1,146 1,148 2,163 2,165 1,166 1,167 1,176 12,179 2,180 4,185 1,187 13,189 1,191 1,192 7,194 1,195 1,197 1,200 9,203 1,206 7,208 2,209 2,211 3,214 5,216 3,219 8,224 3,227 1,229 3,232 6,237 4,239 4,241 4,244 3,251 7,256 1,264 8,277 5,281 420,282 14.359,283 14.359,284 14.359,285 14.359,286 14.359,287 12.941,288 16.73,289 8.02,290 14.473,291 12.388,292 12.388,293 12.388,294 12.388,295 12.388,296 10.108,297 14.086,298 3.88,299 12.604,300 3.874,301 1.988,302 0.975,303 0.569,304 0.569,305 0.569,306 3.81,310 1,311 1,312 1,313 375,314 2.236,315 25.99,317 29.998,318 100.767,320 47.178,321 50.516,322 53.429,324 68.053,325 1.256,326 17.792,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 44.5,338 160,339 4.704,340 3.502,341 6.95,342 4.305,343 3.325,344 4.632,345 0.68,346 11.731,347 3.257,348 4.228,349 3.203,350 6.377,351 3.979,352 2.993,353 3.683,355 9.847,356 2.951,357 3.899,358 2.913,359 6.028,360 3.683,361 2.691,362 3.14,364 8.606,365 2.666,366 3.669,367 2.563,368 5.513,369 3.324,370 2.332,371 2.911,373 7.285,374 2.311,375 3.476,376 2.484,377 5.356,378 3.17,379 2.193,380 2.815,382 6.734,383 2.144,384 2.991,385 2.06,386 4.984,387 2.811,388 1.837,389 2.016,391 5.538,392 1.784,393 2.941,394 1.879,395 4.673,396 2.716,397 1.726,398 1.983,400 4.952,401 1.708,402 2.744,403 1.509,404 4.462,405 2.417,406 1.448,407 1.789,409 4.267,410 1.4,411 2.181,412 0.904,413 3.905,414 1.742,415 0.788,416 1.065,418 2.361,419 0.749,420 1.316,421 0.441,422 3.266,423 1.081,424 0.106,425 0.118,427 0.306,428 0.103,429 1.215,430 0.057,431 2.967,432 0.892,433 -0.069,434 -0.084,436 -0.203,437 -0.066,438 0.681,439 0.009,440 2.661,441 0.612,442 -0.385,443 -0.397,445 -0.992,446 -0.384,447 0.634,448 -0.267,449 2.582,450 0.526,451 -0.457,452 -0.498,454 -1.154,455 -0.449,456 0.614,457 -0.592,458 2.424,459 0.214,460 -0.762,461 -0.952,463 -2.311,464 -0.74,465 0.252,466 -0.688,467 2.191,468 0.05,469 -0.936,470 -1,472 -2.781,473 -0.922,474 10.033,475 0.478,476 0.657,477 0.031,478 23.75,479 1.131,480 9.5,481 0.452,482 14.25,483 0.679,484 20.161,485 0.96,486 22.367,487 0.559,488 13.222,489 0.63,490 3.717,491 0.177,492 6.47,493 0.308,494 0.09,496 0.498,501 0.892,502 1.149,503 0.811,504 1.007,505 0.988,506 0.913,507 0.584,508 1.156,509 0.797,510 1.074,511 0.517,512 0.984,513 0.849,514 1.164,515 0.898,516 1.096,517 0.85,518 1.019,519 1.159,520 1.007,521 0.985,522 0.935,523 1.089,524 0.939,525 1.493,526 1.134,527 1.275,528 1.086,529 1.683,530 1.136,531 1.261,532 0.88,533 0.942,534 0.81,535 1.238,536 0.824,537 1.949,538 0.999,539 1.551,540 1.119,541 2.077,542 1.261,543 0.518,544 0.813,545 0.949,546 0.994,547 0.405,548 1.016,549 5,550 0.02,551 1.833,552 2.264,553 1.489,554 0.722,555 0.4,556 0.168,557 0.087,558 0.04,559 4503,560 8405,561 2.271,562 47.5,563 13,564 1,567 2,568 3,572 1.636,573 2.136,574 2.931,575 0.284,576 1,577 1,579 1,582 57.925,583 1.448,584 3.334,585 4.346,586 4.753,587 4.753,588 4.753,589 2.453,590 3.88,591 4.365,592 3.03,593 636.244,594 7.499,595 6299.27,596 1,597 1,598 1,599 1,600 212.877,601 1.357,602 4.333,603 0.2,604 0.01,605 0.051,606 0.06,607 0.044,608 0.029,609 0.018,610 0.013,611 0.009,612 0.008,613 0.441,614 0.5,615 0.88,616 0.532,617 91.629,618 -0.041,619 0.021,620 0.078,621 0.06,622 -0.041,623 0.083,624 0.277,625 -0.092,626 0.123,627 -0.032,628 0.244,629 0.016,630 0.097,631 -0.132,632 0.055,633 -0.102,634 0.072,635 -0.043,636 0.005,637 -0.003,638 0.008,639 0.017,640 0.057,641 0.011,642 -0.26,643 -0.1,644 -0.28,645 -0.161,646 -0.359,647 -0.211,648 -0.102,649 0.079,650 0.078,651 0.11,652 -0.047,653 0.12,654 -0.463,655 0.026,656 -0.546,657 -0.192,658 -0.52,659 -0.347,660 0.022,661 0.064,662 0.005,663 0.008,664 0.101,665 0.009,666 1.02,667 2.473,668 0.905,669 12.476,670 0.993,671 1.126,672 3.201,673 10.248,674 0.664,675 3.258,676 3.689,677 4.007,678 4.394,679 4.682,680 4.934,681 5.118,682 5.323,683 5.407,684 5.521,685 4.553,686 0.625,687 281.39,688 3.258,689 4.86,690 5.771,691 6.711,692 7.634,693 8.576,694 9.504,695 10.448,696 11.378,697 12.322,698 7.5,702 1,708 2,714 2,716 2,718 1,720 4,722 10,733 1,741 40,743 11,745 25,747 44,748 17,749 6,756 5,757 11,763 1,767 5,768 3,770 5,772 8,773 9,774 3,777 1,784 1,786 1,789 1,790 1,793 19,794 4,795 2,796 4,802 3,808 0.4,809 1,813 1,822 1,826 1,828 1,829 3,831 1,832 1,833 1,835 1,849 1,850 1,859 2,864 1,868 21,869 1,876 5,880 3,893 2.5,898 1,901 9.833,902 7.483,903 4.25,904 2.728,907 2.456,908 1.318,909 1.057,910 2.316,911 10.178,912 3.466,913 4.147,914 4.768,915 5.442,916 6.009,917 6.514,918 6.97,919 7.426,920 7.669,921 7.932,922 1,923 38,924 7.837,926 3.6,927 0.026,929 7.437,931 15.706,933 14.628,936 1.937,937 40.667,938 0.002,941 200.109,942 54.43,943 66.468,945 9.507,948 54.43,949 209.616,950 66.468,951 8.825,952 12.673,953 42.373,954 42.998,955 23.536,957 200.109,959 200.109,960 120.899,961 9.507,964 200.109,965 9.507,968 35.826,969 42.025,970 43.047,972 200.109,973 75.976,974 54.43,977 200.109,978 36.129,979 18.301,981 75.976,982 200.109,983 75.976,984 54.43,986 0.61,987 0.345,988 0.201,989 0.109,990 25,991 10,992 0.023,993 1,994 4,995 1.368,996 3.378,997 187.505,998 0.421,999 18,1000 90.239,1005 12.079,1006 4.026,1007 1.826,1008 1.44,1009 75.976,1011 9.415,1013 5.865,1015 4.054,1017 32.897,1018 330.515,1019 31,1026 2.414,1028 1.486,1031 39.702,1032 45.026,1034 0.272,1035 0.626,1036 0.817,1037 0.893,1038 0.893,1039 0.893,1040 4.783,1041 1.448,1042 5.802,1043 4.952,1044 4.369,1045 4.832,1046 0.655,1047 6.706,1048 4.334,1049 6.032,1050 0.788,1051 7.416,1052 4.267,1053 4.205,1054 4.879,1056 7.751,1057 4.159,1058 7.384,1059 0.106,1060 9.124,1061 2.361,1062 6.075,1063 7.107,1064 0.356,1065 10.877,1066 6.008,1067 8.764,1068 -0.069,1069 10.883,1070 0.306,1071 6.635,1072 7.94,1074 12.694,1075 6.552,1076 10.172,1077 -0.385,1078 12.675,1079 -0.203,1080 8.059,1081 9.722,1082 0.18,1083 15.374,1084 7.958,1085 11.602,1086 -0.457,1087 14.491,1088 -0.992,1089 8.951,1090 10.928,1092 17.538,1093 8.83,1094 13.05,1095 -0.762,1096 16.325,1097 -1.154,1098 10.209,1099 12.544,1100 0.087,1101 20.062,1102 10.071,1103 3.325,1104 -0.936,1105 18.173,1106 -2.311,1107 11.256,1108 13.928,1110 22.383,1111 11.095,1112 2.993,1113 11.731,1114 20.033,1115 -2.781,1116 12.454,1117 15.482,1118 0.041,1119 24.852,1120 12.275,1121 2.691,1122 9.847,1123 21.903,1124 4.632,1125 13.572,1126 16.946,1128 27.243,1129 13.37,1130 2.332,1131 8.606,1132 23.781,1133 3.683,1134 14.752,1135 18.481,1136 0.019,1137 29.696,1138 14.53,1139 2.193,1140 7.285,1141 25.667,1142 3.14,1143 15.903,1144 19.981,1146 32.121,1147 15.659,1148 1.837,1149 6.734,1150 27.559,1151 2.911,1152 17.081,1153 21.51,1154 0.009,1155 34.571,1156 16.816,1157 1.726,1158 5.538,1159 29.456,1160 2.815,1161 18.249,1162 23.027,1164 37.012,1165 17.962,1166 4055,1167 5669,1168 17.224,1169 26.563,1170 39.498,1171 39.334,1172 40.627,1173 38.854,1174 38.88,1175 48.305,1176 1.36,1177 123.256,1178 38.146,1179 5.657,1180 5.502,1181 5.95,1182 5.355,1183 5.325,1184 7.632,1185 1.36,1186 19.323,1187 5.257,1188 7.569,1189 1.58,1190 1.573,1191 1.625,1192 1.554,1193 1.555,1194 1.932,1195 0.054,1196 4.93,1197 1.526,1198 4.152,1199 4.179,1200 4.121,1201 4.033,1202 5.293,1203 4.046,1204 3.927,1205 3.966,1206 3.837,1207 3.822,1208 4.947,1209 3.821,1210 3.739,1211 3.785,1212 3.636,1213 3.629,1214 4.541,1215 3.628,1216 3.373,1217 3.432,1218 3.253,1219 3.235,1220 4.323,1221 3.23,1222 3.22,1223 3.288,1224 3.095,1225 3.06,1226 4.092,1227 3.057,1228 3.055,1229 3.14,1230 2.877,1231 2.848,1232 3.859,1233 2.849,1234 2.908,1235 3.007,1236 2.762,1237 2.629,1238 3.698,1239 2.654,1240 2.659,1241 2.784,1242 2.319,1243 2.423,1244 3.535,1245 2.381,1246 0.188,1247 0.14,1248 0.278,1249 0.172,1250 0.133,1251 4.704,1252 0.185,1253 3.502,1254 0.027,1255 6.95,1256 0.469,1257 4.305,1258 0.13,1259 3.325,1260 4.632,1261 0.68,1262 11.731,1263 3.257,1264 2.037,1265 2.007,1266 2.16,1267 2.139,1268 1.525,1269 2.146,1270 1.702,1271 1.669,1272 1.806,1273 1.844,1274 0.959,1275 1.835,1276 1.404,1277 1.374,1278 1.611,1279 1.64,1280 0.883,1281 1.601,1282 1.332,1283 1.274,1284 1.535,1285 1.527,1286 0.852,1287 1.557,1288 1.182,1289 1.114,1290 1.513,1291 1.379,1292 0.825,1293 1.429,1294 1.153,1295 1.064,1296 1.481,1297 1.376,1298 0.716,1299 1.416,1300 0.856,1301 0.794,1302 1.197,1303 1.221,1304 0.411,1305 1.217,1306 0.829,1307 0.742,1308 1.129,1309 1.043,1310 0.25,1311 1.079,1312 3.932,1313 1.946,1314 5.333,1315 3.932,1316 6.93,1317 5.861,1318 8.625,1319 7.761,1320 10.372,1322 2.23,1326 6.473,1328 5.659,1332 1.631,1340 24.993,1341 57.925,1342 133.367,1343 173.858,1344 190.122,1345 190.122,1346 190.122,1347 26.745,1348 7.723,1349 64.94,1350 64.94,1351 26,1352 12.817,1353 3.585,1354 2.807,1355 25.209,1356 60,1357 52,1358 0.225,1359 146.615,1360 247.65,1361 349.502,1362 21265,1364 14.137,1365 0.673,1366 0.582,1367 14.137,1368 12.225,1369 10.187,1370 0.407,1371 0.318,1372 7.88,1373 9.925,1374 7.686,1375 6.284,1376 10.187,1377 7.947,1378 10.099,1379 0.259,1380 0.179,1381 10.099,1382 6.98,1383 8.476,1384 0.157,1385 0.091,1386 8.476,1387 4.896,1388 8.039,1389 0.1,1390 0.051,1391 8.039,1392 4.064,1393 6.425,1394 0.06,1395 0.027,1396 6.425,1397 2.908,1398 0.334,1399 63.042,1400 0.241,1401 20.13,1402 0.673,1403 128,1404 284.338,1405 137.563,1406 279.051,1407 403.83,1408 264,1409 160,1410 322.752,1411 170.757,1412 325.819,1413 491.44,1414 309,1415 4.301}
{0 CHEMBL574847,1 1.566,2 20.225,3 3.176,4 10.084,5 170.824,6 7.011,7 0.143,8 4.482,9 4.61,10 4.084,11 4.028,12 5.475,13 3.943,14 5.056,15 5.256,16 4.314,17 4.396,18 5.981,19 4.276,20 5.324,21 5.568,22 4.303,23 4.5,24 6.242,25 4.354,26 5.353,27 5.601,28 4.247,29 4.492,30 6.265,31 4.341,32 5.394,33 5.653,34 4.213,35 4.514,36 6.296,37 4.343,38 5.406,39 5.672,40 4.165,41 4.472,42 6.29,43 4.303,44 5.323,45 5.587,46 4.159,47 4.382,48 6.236,49 4.226,50 5.239,51 5.509,52 4.14,53 4.304,54 6.181,55 4.159,56 0.072,57 1.209,58 23.646,59 9.147,60 12.032,61 11.464,62 0.325,63 1.924,64 40.699,65 14.404,66 34.577,67 19.226,68 0.571,69 2.289,70 56.516,71 18.162,72 67.802,73 24.447,74 0.729,75 2.275,76 54.338,77 18.084,78 74.596,79 24.854,80 0.61,81 2.319,82 56.433,83 19.525,84 89.322,85 26.765,86 0.69,87 2.289,88 58.075,89 18.722,90 88.989,91 25.815,92 0.725,93 2.126,94 53.705,95 16.418,96 80.525,97 23.214,98 0.673,99 1.956,100 48.893,101 15.008,102 73.264,103 21.455,104 30,105 53,106 0.239,107 0.546,108 0.793,109 0.896,110 0.907,111 0.907,112 3.716,113 1.195,114 -3.48,115 -3.45,116 -3.3,121 35.7,122 1,123 7,126 1,127 7,129 1,137 2,140 2,144 4,145 1,146 1,158 2,160 1,176 7,180 9,183 1,185 5,187 7,191 1,192 6,196 1,197 3,200 5,205 2,206 5,209 2,210 1,211 1,214 7,219 3,222 2,224 2,227 6,232 6,235 1,237 3,239 5,243 1,244 4,248 1,249 4,251 3,255 1,256 3,259 2,261 1,264 3,269 4,272 3,274 2,277 7,281 4016,282 27.327,283 27.327,284 27.327,285 27.327,286 27.327,287 25.641,288 36.444,289 16.866,290 28.067,291 20.631,292 20.631,293 20.631,294 20.631,295 20.631,296 17.91,297 47.558,298 7.888,299 21.614,300 4.826,301 2.816,302 1.197,303 0.518,304 0.447,305 0.447,306 4.4,312 1,313 1687,314 5.05,317 156.775,318 347.418,325 3.675,326 40.467,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.5,335 0.5,336 0.71,337 86,338 809,339 4.381,340 4.08,341 6.25,342 3.974,343 2.988,344 3.846,345 1.907,346 9.366,347 2.947,348 4.206,349 3.581,350 6.159,351 3.84,352 2.875,353 3.805,354 0.916,355 9.118,356 2.772,357 3.773,358 3.574,359 5.741,360 3.468,361 2.545,362 3.015,363 0.86,364 7.583,365 2.398,366 3.661,367 3.354,368 5.353,369 3.398,370 2.43,371 2.829,372 0.6,373 6.998,374 2.34,375 3.538,376 3.188,377 5.284,378 3.373,379 2.376,380 2.54,381 0.4,382 6.713,383 2.295,384 3.428,385 2.889,386 5.034,387 3.297,388 2.367,389 2.468,390 0.172,391 6.09,392 2.19,393 3.263,394 2.73,395 4.559,396 2.753,397 1.773,398 2.381,399 0.149,400 4.718,401 1.727,402 2.917,403 2.43,404 4.315,405 2.642,406 1.666,407 2.088,409 4.035,410 1.619,411 2.846,412 1.963,413 3.877,414 2.521,415 1.563,416 1.951,418 3.504,419 1.494,420 2.76,421 1.936,422 3.711,423 2.481,424 1.52,425 1.74,427 3.226,428 1.45,429 2.607,430 1.669,431 3.628,432 2.441,433 1.452,434 1.581,436 3.064,437 1.431,438 2.531,439 1.636,440 3.601,441 2.345,442 1.37,443 1.497,445 2.974,446 1.331,447 2.22,448 1.522,449 3.398,450 2.041,451 1.13,452 1.15,454 2.441,455 1.01,456 2.136,457 1.396,458 3.254,459 1.894,460 0.941,461 1.062,463 2.113,464 0.885,465 1.859,466 1.109,467 3,468 1.596,469 0.635,470 0.711,472 1.373,473 0.606,474 19.6,475 0.49,476 0.677,477 0.017,478 38.5,479 0.963,480 14,481 0.35,482 24.5,483 0.613,484 47.999,485 1.2,486 46.4,487 0.552,488 29.214,489 0.73,490 6.529,491 0.163,492 12.966,493 0.324,494 0.102,496 0.224,501 0.813,502 1.354,503 0.757,504 1.041,505 0.657,506 1.088,507 0.924,508 1.182,509 1.011,510 1.065,511 0.585,512 1.064,513 0.978,514 1.094,515 1.103,516 1.089,517 0.869,518 1.022,519 1.038,520 0.965,521 0.954,522 0.952,523 1.022,524 1.039,525 0.888,526 1.038,527 0.894,528 0.985,529 1.009,530 1.049,531 1.198,532 0.982,533 0.937,534 0.907,535 1.264,536 0.993,537 1.182,538 1.006,539 0.881,540 0.893,541 1.215,542 0.981,543 1.007,544 0.942,545 0.761,546 0.827,547 1.151,548 0.897,549 6.5,550 0.231,551 3.556,552 1.972,553 1.832,554 0.774,555 0.624,556 0.43,557 0.346,558 0.297,559 33599,560 83973,561 2.009,562 52.4,563 4,564 24,567 3,568 2,569 5,570 6,572 1.792,573 1.905,574 4.238,575 0.756,582 131.533,583 1.566,584 3.576,585 5.196,586 5.874,587 5.946,588 5.946,589 3.718,590 4.534,591 5.289,592 4.519,593 3525.12,594 9.288,595 72336,600 536.955,601 1.263,602 5.264,603 0.155,604 0.006,605 0.067,606 0.037,607 0.037,608 0.016,609 0.014,610 0.01,611 0.008,612 0.007,613 0.359,614 0.33,615 0.63,616 0.724,617 237.669,618 -0.03,619 -0.094,620 0.16,621 0.067,622 -0.017,623 0.015,624 -0.041,625 -0.035,626 -0.027,627 -0.021,628 0.051,629 -0.034,630 -0.013,631 -0.048,632 -0.084,633 -0.08,634 0.038,635 -0.03,636 0.009,637 0.034,638 -0.08,639 -0.047,640 -0.029,641 -0.072,642 0.026,643 -0.084,644 -0.039,645 -0.07,646 0.018,647 -0.066,648 -0.099,649 -0.042,650 -0.062,651 -0.021,652 -0.114,653 -0.04,654 -0.044,655 -0.053,656 -0.016,657 -0.026,658 -0.083,659 -0.039,660 0.065,661 0.008,662 0.081,663 0.025,664 -0.003,665 0.044,666 1.885,667 5.547,668 0.425,669 72.84,670 0.995,671 1.131,672 2.245,673 5.041,674 0.647,675 3.761,676 3.989,677 4.174,678 4.317,679 4.407,680 4.344,681 4.317,682 4.331,683 4.357,684 4.394,685 11.931,686 0.594,687 588.92,688 3.761,689 5.252,690 6.052,691 6.874,692 7.689,693 8.515,694 9.337,695 10.166,696 10.992,697 11.823,698 4.8,700 1,701 1,705 1,707 1,715 4,720 2,722 6,739 1,741 84,743 11,744 1,745 42,747 86,748 30,749 6,750 2,751 4,752 6,756 3,757 3,763 1,767 2,770 8,772 13,773 17,777 5,782 2,784 2,785 1,786 5,793 44,794 8,795 3,796 10,797 2,802 4,808 1,809 4,828 1,829 2,839 1,841 1,843 1,849 4,853 1,855 1,857 1,859 3,861 1,862 2,864 2,868 40,875 1,876 14,877 2,878 1,879 2,880 1,881 1,893 4.8,895 1,896 2,898 1,901 21,902 15.017,903 9.333,904 5.438,907 2.185,908 1.287,909 0.921,910 15.245,911 9.804,912 3.932,913 4.337,914 4.743,915 5.099,916 5.459,917 5.452,918 5.496,919 5.572,920 5.661,921 5.803,922 1,923 53,924 14.927,926 6.09,927 0.026,929 7.679,931 29.101,933 23.321,936 2.179,937 87.167,941 482.615,942 191.986,943 55.931,945 103.973,947 60.363,948 131.622,949 586.588,950 55.931,951 19.708,952 49.286,953 74.868,954 108.325,955 39.339,957 542.979,959 482.615,960 187.553,961 103.973,962 60.363,964 353.133,965 233.455,968 96.032,969 69.812,970 21.709,971 60.363,972 482.615,973 159.904,974 191.986,977 482.615,978 115.42,979 79.69,980 36.022,981 120.759,982 482.615,983 159.904,984 191.986,986 0.555,987 0.32,988 0.165,989 0.082,990 18,991 9,992 0.209,993 18,995 1,996 5.333,997 335.819,999 17,1000 212.877,1001 2,1005 32.745,1006 18.623,1007 11.944,1009 159.904,1010 8.017,1015 2.027,1017 78.705,1018 834.505,1019 50,1024 24.586,1026 2.829,1027 4.435,1028 0.545,1031 83.541,1032 94.975,1034 0.245,1035 0.559,1036 0.813,1037 0.919,1038 0.93,1039 0.93,1040 5.145,1041 1.666,1042 5.979,1043 4.718,1044 4.673,1045 5.024,1046 2.404,1047 6.676,1048 4.591,1049 6.268,1050 1.563,1051 7.468,1052 4.035,1053 4.007,1054 4.605,1055 1.668,1056 7.368,1057 3.905,1058 7.521,1059 1.52,1060 9.058,1061 3.504,1062 6.155,1063 6.97,1064 3.026,1065 10.418,1066 6.005,1067 8.809,1068 1.452,1069 10.711,1070 3.226,1071 6.365,1072 7.428,1073 3.055,1074 11.97,1075 6.191,1076 10.134,1077 1.37,1078 12.404,1079 3.064,1080 7.896,1081 9.243,1082 4.066,1083 14.498,1084 7.691,1085 11.483,1086 1.13,1087 14.126,1088 2.974,1089 8.528,1090 10.118,1091 4.415,1092 16.406,1093 8.301,1094 12.852,1095 0.941,1096 15.867,1097 2.441,1098 9.795,1099 11.702,1100 5.257,1101 18.75,1102 9.546,1103 2.988,1104 0.635,1105 17.624,1106 2.113,1107 10.641,1108 12.792,1109 5.751,1110 20.819,1111 10.373,1112 2.875,1113 9.366,1114 19.391,1115 1.373,1116 11.791,1117 14.265,1118 6.503,1119 23.091,1120 11.505,1121 2.545,1122 9.118,1123 21.166,1124 3.846,1125 12.746,1126 15.467,1127 7.069,1128 25.237,1129 12.444,1130 2.43,1131 7.583,1132 22.949,1133 3.805,1134 13.846,1135 16.882,1136 7.771,1137 27.48,1138 13.528,1139 2.376,1140 6.998,1141 24.737,1142 3.015,1143 14.857,1144 18.146,1145 8.375,1146 29.664,1147 14.525,1148 2.367,1149 6.713,1150 26.531,1151 2.829,1152 15.937,1153 19.53,1154 9.051,1155 31.896,1156 15.592,1157 1.773,1158 6.09,1159 28.328,1160 2.54,1161 16.978,1162 20.827,1163 9.674,1164 34.1,1165 16.619,1166 32572,1167 51695,1168 27.909,1169 54.364,1170 59.606,1171 64.146,1172 61.056,1173 59.225,1174 59.266,1175 69.591,1176 10.01,1177 154.422,1178 56.725,1179 5.372,1180 6.08,1181 6.023,1182 5.022,1183 4.988,1184 6.846,1185 3.306,1186 16.052,1187 4.947,1188 20.257,1189 1.419,1190 1.527,1191 1.454,1192 1.41,1193 1.411,1194 1.657,1195 0.238,1196 3.677,1197 1.351,1198 3.97,1199 4.007,1200 4.232,1201 3.874,1202 7.431,1203 3.873,1204 3.904,1205 3.931,1206 3.904,1207 3.804,1208 7.426,1209 3.808,1210 3.818,1211 3.863,1212 3.855,1213 3.778,1214 6.469,1215 3.706,1216 3.706,1217 3.77,1218 3.649,1219 3.56,1220 4.862,1221 3.541,1222 3.676,1223 3.733,1224 3.556,1225 3.517,1226 4.619,1227 3.512,1228 3.556,1229 3.619,1230 3.439,1231 3.423,1232 4.392,1233 3.398,1234 3.439,1235 3.519,1236 3.3,1237 3.263,1238 4.358,1239 3.251,1240 3.308,1241 3.376,1242 3.21,1243 3.121,1244 4.245,1245 3.107,1246 0.104,1247 0.097,1248 0.149,1249 0.095,1250 0.071,1251 4.381,1252 0.092,1253 4.08,1254 0.045,1255 6.25,1256 0.223,1257 3.974,1258 0.07,1259 2.988,1260 3.846,1261 1.907,1262 9.366,1263 2.947,1264 1.913,1265 1.887,1266 2.039,1267 2.033,1268 1.38,1269 2.036,1270 1.849,1271 1.825,1272 2.002,1273 1.999,1274 1.281,1275 1.991,1276 1.775,1277 1.723,1278 1.96,1279 1.942,1280 1.218,1281 1.958,1282 1.678,1283 1.608,1284 1.912,1285 1.872,1286 1.131,1287 1.891,1288 1.63,1289 1.568,1290 1.841,1291 1.824,1292 1.123,1293 1.837,1294 1.517,1295 1.455,1296 1.771,1297 1.703,1298 0.981,1299 1.732,1300 1.446,1301 1.367,1302 1.744,1303 1.651,1304 0.927,1305 1.688,1306 1.289,1307 1.24,1308 1.573,1309 1.514,1310 0.843,1311 1.534,1312 4.443,1314 5.694,1315 2.398,1316 7.12,1317 4.443,1318 8.635,1319 6.26,1320 10.2,1322 3.807,1327 10.402,1328 11.984,1329 6.052,1330 5.458,1331 3.948,1332 0.764,1333 2.314,1340 49.855,1341 131.533,1342 300.41,1343 436.425,1344 493.445,1345 499.445,1346 499.445,1347 119.128,1348 7.618,1349 103.26,1350 153.86,1351 17,1352 12.396,1353 3.585,1354 3.17,1355 88.254,1356 289,1357 278,1358 0.141,1359 318.365,1360 574.64,1361 768.571,1362 28329,1364 28.581,1365 0.715,1366 0.636,1367 29.288,1368 25.457,1369 19.495,1370 0.464,1371 0.398,1372 14.324,1373 17.899,1374 13.813,1375 11.471,1376 20.574,1377 16.726,1378 16.132,1379 0.304,1380 0.24,1381 17.4,1382 12.745,1383 13.006,1384 0.203,1385 0.155,1386 14.39,1387 9.931,1388 9.943,1389 0.134,1390 0.103,1391 11.35,1392 7.617,1393 7.287,1394 0.09,1395 0.052,1396 7.899,1397 4.248,1398 0.24,1399 131.332,1400 0.189,1401 37.955,1402 0.346,1403 190,1404 541.033,1405 247.768,1406 554.633,1407 735.13,1408 520,1409 212,1410 478.029,1411 268.513,1412 511.714,1413 732.87,1414 481,1415 6.721}
{0 CHEMBL574948,1 1.402,2 6.222,3 1.746,4 3.05,5 72.922,6 7.069,7 0.476,8 3.655,9 3.795,10 3.202,11 3.226,12 4.668,13 3.194,14 4.228,15 4.409,16 3.621,17 3.708,18 5.129,19 3.648,20 4.519,21 4.727,22 3.679,23 3.88,24 5.396,25 3.778,26 4.631,27 4.896,28 3.591,29 3.823,30 5.49,31 3.693,32 4.512,33 4.787,34 3.236,35 3.632,36 5.334,37 3.477,38 4.365,39 4.69,40 2.979,41 3.35,42 5.086,43 3.165,44 3.873,45 4.188,46 2.343,47 2.815,48 4.742,49 2.643,50 3.268,51 3.628,52 1.475,53 2.119,54 3.864,55 1.844,56 0.067,57 0.557,58 7.635,59 3.028,60 8.133,61 4.285,62 0.088,63 0.93,64 14.166,65 5.754,66 9.957,67 8.235,68 0.121,69 1.173,70 19.547,71 7.643,72 17.326,73 11.123,74 0.224,75 1.209,76 23.286,77 8.275,78 27.894,79 12.408,80 0.231,81 1.044,82 21.062,83 6.381,84 26.778,85 9.973,86 0.157,87 0.816,88 18.945,89 6.072,90 20.848,91 9.551,92 0.177,93 0.517,94 11.628,95 2.706,96 20.159,97 4.595,98 0.05,99 0.234,100 6.406,101 2.117,102 7.535,103 3.333,104 5,105 32,106 0.258,107 0.673,108 0.836,109 0.868,110 0.868,111 0.868,112 2.965,113 0.93,114 -3.68,115 -3.65,116 -3.47,121 41.2,122 1,123 3,124 2,137 1,138 1,145 2,146 1,147 1,148 1,163 1,165 1,166 1,167 1,172 1,176 9,180 4,183 1,185 3,187 14,189 2,191 1,192 2,197 1,200 10,203 1,206 4,208 2,209 2,210 1,211 5,213 1,214 8,216 3,219 3,224 4,227 2,229 2,232 4,237 5,239 2,241 2,244 2,249 1,256 1,261 1,281 276,282 12.257,283 12.257,284 12.257,285 12.257,286 12.257,287 10.787,288 11.879,289 6.951,290 12.387,291 10.4,292 10.4,293 10.4,294 10.4,295 10.4,296 8.151,297 11.145,298 3.335,299 10.622,300 3.685,301 1.436,302 0.552,303 0.375,304 0.375,305 0.375,306 3.662,310 1,311 1,312 1,313 255,314 2,317 25.263,318 77.025,320 35.176,321 41.591,322 41.794,324 52.801,325 0.938,326 12.364,328 1,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 38,338 112,339 4.672,340 3.49,341 6.939,342 4.284,343 3.302,344 4.586,345 0.68,346 11.681,347 3.246,348 4.118,349 2.99,350 6.222,351 3.802,352 2.817,353 3.566,355 9.23,356 2.773,357 3.758,358 2.621,359 5.518,360 3.35,361 2.363,362 3.071,364 7.308,365 2.331,366 3.478,367 2.488,368 5.354,369 3.17,370 2.193,371 2.819,373 6.727,374 2.144,375 2.991,376 2.06,377 4.971,378 2.808,379 1.837,380 2.017,382 5.49,383 1.78,384 2.93,385 1.867,386 4.667,387 2.685,388 1.7,389 1.977,391 4.896,392 1.67,393 2.59,394 1.156,395 3.836,396 2.07,397 1.125,398 1.627,400 2.61,401 1.061,402 2.166,403 0.856,404 3.523,405 1.735,406 0.762,407 1.041,409 2.102,410 0.74,411 1.297,412 0.428,413 3.159,414 1.075,415 0.094,416 0.105,418 0.268,419 0.092,420 1.184,421 0.009,422 2.904,423 0.828,424 -0.118,425 -0.144,427 -0.337,428 -0.112,429 0.644,430 -0.011,431 2.542,432 0.588,433 -0.404,434 -0.42,436 -1.025,437 -0.401,438 0.614,439 -0.592,440 2.348,441 0.214,442 -0.761,443 -0.952,445 -2.117,446 -0.738,447 0.252,448 -0.686,449 2.186,450 0.05,451 -0.936,452 -1.034,454 -2.719,455 -0.922,456 0.041,457 -1.08,458 1.869,459 -0.284,460 -1.251,461 -1.574,463 -3.395,464 -1.206,465 -0.107,466 -1.238,467 1.541,468 -0.442,469 -1.418,470 -1.722,472 -4.065,473 -1.381,474 8.6,475 0.478,476 0.538,477 0.03,478 21.25,479 1.181,480 9.5,481 0.528,482 11.75,483 0.653,484 15.739,485 0.874,486 19,487 0.559,488 11.676,489 0.649,490 3.654,491 0.203,492 5.067,493 0.281,494 0.105,496 0.465,501 0.911,502 1.026,503 0.835,504 0.912,505 1.04,506 0.872,507 0.657,508 1.078,509 0.788,510 0.992,511 0.582,512 0.92,513 0.735,514 1.227,515 1.024,516 1.238,517 0.8,518 1.177,519 0.669,520 1.041,521 0.912,522 1.069,523 0.797,524 1.028,525 1.483,526 0.984,527 1.294,528 1.058,529 1.6,530 1.138,531 0.808,532 0.938,533 0.806,534 0.877,535 0.715,536 0.847,537 2.127,538 0.784,539 1.433,540 0.832,541 1.926,542 1.014,543 0.526,544 0.85,545 0.756,546 0.889,547 0.476,548 0.856,549 4,551 1.778,552 1.875,553 1.329,554 0.563,555 0.222,556 0.105,557 0.031,559 2662,560 5560,561 2.217,562 47.1,563 9,564 1,566 1,567 3,568 2,572 1.594,573 2.077,574 2.681,575 1.142,577 1,578 1,579 1,582 47.671,583 1.402,584 3.652,585 4.536,586 4.712,587 4.712,588 4.712,589 2.155,590 3.614,591 4.149,592 2.73,593 417.664,594 7.07,595 3711.81,596 1,597 1,599 1,600 172.974,601 1.392,602 4.106,603 0.19,605 0.056,606 0.059,607 0.047,608 0.031,609 0.016,610 0.018,611 0.016,613 0.432,614 0.67,615 1,616 0.584,617 72.929,618 0.036,619 0.185,620 0.058,621 0.134,622 -0.043,623 0.105,624 0.104,625 0.016,626 0.115,627 0.065,628 0.119,629 0.087,630 0.035,631 -0.192,632 -0.109,633 -0.206,634 -0.006,635 -0.18,636 0.214,637 -0.097,638 0.054,639 -0.085,640 0.211,641 -0.043,642 -0.329,643 -0.007,644 -0.306,645 -0.135,646 -0.366,647 -0.204,648 0.089,649 -0.115,650 0.206,651 0.073,652 0.136,653 0.14,654 -0.559,655 0.185,656 -0.381,657 -0.01,658 -0.49,659 -0.147,660 0.202,661 -0.143,662 0.271,663 0.07,664 0.18,665 0.16,666 0.841,667 2.346,668 0.889,669 8.407,670 0.991,671 1.132,672 2.452,673 6.015,674 0.664,675 3.091,676 3.497,677 3.85,678 4.234,679 4.489,680 4.7,681 4.852,682 5.024,683 4.99,684 5.03,685 3.844,686 0.625,687 240.34,688 3.091,689 4.673,690 5.572,691 6.503,692 7.415,693 8.351,694 9.268,695 10.205,696 11.124,697 12.061,698 11.8,702 1,706 1,708 2,714 2,715 1,716 2,717 1,720 3,722 10,733 1,741 34,743 11,745 21,747 37,748 14,749 6,756 4,757 10,763 1,767 3,768 2,770 3,772 8,773 6,774 2,777 1,784 1,786 1,790 1,793 16,794 3,795 3,796 4,802 4,808 0.25,820 1,822 1,828 1,829 3,831 1,832 1,833 1,835 1,849 1,850 1,859 1,864 1,868 18,869 1,876 3,880 2,901 8.667,902 6.317,903 3.722,904 2.14,907 2.471,908 1.342,909 1.059,910 2.026,911 9.69,912 3.332,913 4.012,914 4.655,915 5.31,916 5.821,917 6.281,918 6.703,919 7.121,920 7.257,921 7.506,922 1,923 32,924 6.668,926 2.983,927 0.026,929 7.481,931 13.238,933 11.965,936 1.981,937 35.667,938 0.003,941 153.024,942 51.125,943 83.009,948 51.125,949 153.024,950 83.009,951 8.825,952 7.604,953 42.373,954 46.935,955 40.168,957 141.253,959 153.024,960 134.134,964 153.024,968 46.611,969 44.598,970 42.925,972 153.024,973 83.009,974 51.125,977 153.024,978 23.777,979 27.349,980 16.663,981 66.346,982 153.024,983 83.009,984 51.125,986 0.602,987 0.363,988 0.216,989 0.113,990 20,991 8,994 4,995 1.438,996 3.001,997 148.401,998 0.5,999 15,1000 75.059,1005 10.419,1006 3.5,1007 1.432,1008 1.798,1009 66.346,1010 1.787,1011 8.77,1012 2.928,1015 3.351,1017 49.56,1018 287.158,1019 27,1026 2.411,1028 1.494,1031 33.709,1032 38.484,1034 0.276,1035 0.718,1036 0.892,1037 0.926,1038 0.926,1039 0.926,1040 4.62,1041 0.762,1042 5.595,1043 2.61,1044 4.174,1045 4.696,1046 0.655,1047 6.488,1048 4.134,1049 5.857,1050 0.094,1051 7.198,1052 2.102,1053 3.892,1054 4.663,1056 7.486,1057 3.843,1058 7.199,1059 -0.118,1060 8.898,1061 0.268,1062 5.844,1063 6.979,1064 0.356,1065 10.655,1066 5.771,1067 8.575,1068 -0.404,1069 10.654,1070 -0.337,1071 6.347,1072 7.788,1074 12.474,1075 6.263,1076 9.982,1077 -0.761,1078 12.446,1079 -1.025,1080 7.805,1081 9.602,1082 0.18,1083 15.172,1084 7.702,1085 11.413,1086 -0.936,1087 14.264,1088 -2.117,1089 8.677,1090 10.8,1092 17.352,1093 8.559,1094 12.862,1095 -1.251,1096 16.102,1097 -2.719,1098 9.949,1099 12.425,1100 0.087,1101 19.888,1102 9.815,1103 3.302,1104 -1.418,1105 17.956,1106 -3.395,1107 10.992,1108 13.802,1110 22.223,1111 10.841,1112 2.817,1113 11.681,1114 19.823,1115 -4.065,1116 12.198,1117 15.358,1118 0.041,1119 24.703,1120 12.03,1121 2.363,1122 9.23,1123 21.701,1124 4.586,1125 13.318,1126 16.814,1128 27.105,1129 13.133,1130 2.193,1131 7.308,1132 23.587,1133 3.566,1134 14.503,1135 18.346,1136 0.019,1137 29.566,1138 14.302,1139 1.837,1140 6.727,1141 25.481,1142 3.071,1143 15.658,1144 19.838,1146 31.997,1147 15.439,1148 1.7,1149 5.49,1150 27.381,1151 2.819,1152 16.839,1153 21.361,1154 0.009,1155 34.453,1156 16.604,1157 1.125,1158 4.896,1159 29.286,1160 2.017,1161 18.011,1162 22.869,1164 36.898,1165 17.758,1166 2500,1167 3709,1168 14.334,1169 22.591,1170 32.86,1171 32.653,1172 33.522,1173 32.389,1174 32.384,1175 41.619,1176 1.36,1177 100.624,1178 31.673,1179 5.625,1180 5.49,1181 6.427,1182 5.335,1183 5.302,1184 7.586,1185 1.36,1186 19.254,1187 5.246,1188 6.73,1189 1.565,1190 1.555,1191 1.596,1192 1.542,1193 1.542,1194 1.982,1195 0.065,1196 4.792,1197 1.508,1198 4.143,1199 4.185,1200 4.106,1201 4.037,1202 5.219,1203 4.047,1204 3.868,1205 3.919,1206 3.786,1207 3.749,1208 4.908,1209 3.755,1210 3.418,1211 3.484,1212 3.316,1213 3.283,1214 4.538,1215 3.279,1216 3.241,1217 3.325,1218 3.108,1219 3.076,1220 4.293,1221 3.072,1222 3.084,1223 3.18,1224 2.899,1225 2.884,1226 3.796,1227 2.878,1228 2.926,1229 3.023,1230 2.779,1231 2.664,1232 3.6,1233 2.687,1234 2.659,1235 2.784,1236 2.33,1237 2.424,1238 3.42,1239 2.381,1240 2.537,1241 2.655,1242 2.315,1243 2.276,1244 3.229,1245 2.273,1246 0.222,1247 0.166,1248 0.33,1249 0.204,1250 0.157,1251 4.672,1252 0.218,1253 3.49,1254 0.032,1255 6.939,1256 0.556,1257 4.284,1258 0.155,1259 3.302,1260 4.586,1261 0.68,1262 11.681,1263 3.246,1264 2.045,1265 2.015,1266 2.164,1267 2.144,1268 1.527,1269 2.151,1270 1.735,1271 1.701,1272 1.841,1273 1.865,1274 1.004,1275 1.862,1276 1.368,1277 1.306,1278 1.635,1279 1.65,1280 0.899,1281 1.6,1282 1.28,1283 1.187,1284 1.494,1285 1.536,1286 0.736,1287 1.573,1288 1.163,1289 1.09,1290 1.401,1291 1.367,1292 0.451,1293 1.405,1294 0.917,1295 0.848,1296 1.189,1297 1.209,1298 0.303,1299 1.209,1300 0.784,1301 0.657,1302 1.172,1303 1.084,1304 0.233,1305 1.12,1306 0.708,1307 0.587,1308 1.115,1309 0.992,1311 1.05,1312 3.761,1314 5.142,1315 2.398,1316 6.727,1317 4.595,1318 8.42,1319 6.605,1320 10.171,1322 2.226,1326 6.346,1328 3.362,1332 1.194,1340 21.246,1341 47.671,1342 124.165,1343 154.219,1344 160.219,1345 160.219,1346 160.219,1347 20.852,1348 7.219,1349 67.59,1350 67.59,1351 23,1352 12.561,1353 3.585,1354 2.807,1355 22.499,1356 43,1357 38,1358 0.282,1359 128.03,1360 210.32,1361 304.153,1362 11489,1364 12.276,1365 0.682,1366 0.578,1367 12.276,1368 10.402,1369 8.72,1370 0.415,1371 0.31,1372 6.451,1373 8.49,1374 6.266,1375 5.163,1376 8.72,1377 6.507,1378 8.461,1379 0.264,1380 0.176,1381 8.461,1382 5.632,1383 7.407,1384 0.161,1385 0.093,1386 7.407,1387 4.297,1388 7.116,1389 0.105,1390 0.054,1391 7.116,1392 3.655,1393 5.485,1394 0.062,1395 0.03,1396 5.485,1397 2.603,1398 0.408,1399 53.973,1400 0.264,1401 17.224,1402 0.882,1403 106,1404 230.935,1405 112.245,1406 233.675,1407 335.32,1408 220,1409 131,1410 264.761,1411 138.105,1412 271.431,1413 401.21,1414 256,1415 4.301}
{0 CHEMBL574973,1 1.519,2 8.8,3 4.136,4 17.106,5 106.4275,6 7.864,7 0.393,8 3.907,9 4.033,10 3.532,11 3.515,12 4.988,13 3.473,14 4.474,15 4.652,16 3.915,17 3.969,18 5.433,19 3.895,20 4.796,21 5.01,22 4.023,23 4.168,24 5.682,25 4.061,26 4.869,27 5.114,28 4.003,29 4.147,30 5.745,31 4.03,32 4.813,33 5.043,34 3.912,35 4.123,36 5.696,37 4,38 4.86,39 5.114,40 3.912,41 4.114,42 5.677,43 3.963,44 4.828,45 5.096,46 3.796,47 3.999,48 5.698,49 3.835,50 4.647,51 4.937,52 3.668,53 3.728,54 5.614,55 3.562,56 0.066,57 0.694,58 8.618,59 4.061,60 12.262,61 5.471,62 0.097,63 1.138,64 17.443,65 7.435,66 19.321,67 10.238,68 0.2,69 1.478,70 27.755,71 10.299,72 27.693,73 14.34,74 0.298,75 1.547,76 30.802,77 10.863,78 38.009,79 15.505,80 0.245,81 1.497,82 26.813,83 9.884,84 32.871,85 14.003,86 0.19,87 1.463,88 30.686,89 11.592,90 30,91 16.537,92 0.278,93 1.373,94 33.609,95 10.739,96 38.954,97 15.229,98 0.294,99 1.076,100 32.007,101 8.765,102 41.884,103 12.443,104 15,105 40,106 0.261,107 0.656,108 0.846,109 0.887,110 0.887,111 0.887,112 3.269,113 0.975,114 -4.37,115 -4.3,116 -4.06,121 42.2,122 1,123 3,124 2,127 2,137 1,138 1,144 3,145 2,146 2,148 2,171 1,176 11,178 1,180 4,181 1,185 2,187 19,192 3,195 1,197 2,200 13,206 5,209 1,211 5,213 1,214 13,219 3,224 2,225 1,227 8,232 3,237 3,239 12,241 2,243 1,244 5,251 7,252 2,253 2,256 2,258 1,264 6,265 2,266 5,269 3,270 1,277 1,278 5,279 2,281 924,282 17.11,283 17.11,284 17.11,285 17.11,286 17.11,287 14.985,288 19.342,289 10.262,290 17.396,291 13.868,292 13.868,293 13.868,294 13.868,295 13.868,296 10.833,297 20.076,298 4.931,299 14.384,300 3.972,301 1.675,302 0.567,303 0.328,304 0.328,305 0.328,306 3.97,308 1,311 1,312 1,313 481,314 3.082,318 171.86,320 57.06,322 144.302,324 87.028,325 1.2,326 17.76,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 52.833,338 220,339 4.686,340 3.508,341 6.986,342 4.303,343 3.319,344 4.594,345 0.68,346 11.934,347 3.265,348 4.143,349 3.064,350 6.24,351 3.826,352 2.84,353 3.624,354 0.4,355 9.32,356 2.801,357 3.814,358 2.858,359 5.569,360 3.416,361 2.452,362 3.131,364 7.471,365 2.369,366 3.568,367 2.548,368 5.39,369 3.201,370 2.229,371 2.926,373 6.847,374 2.166,375 3.407,376 2.457,377 5.126,378 3.014,379 2.084,380 2.726,382 6.137,383 1.914,384 3.318,385 2.156,386 4.836,387 2.848,388 1.894,389 2.54,391 5.357,392 1.774,393 3.011,394 1.978,395 4.666,396 2.723,397 1.755,398 2.045,400 4.874,401 1.677,402 2.886,403 1.79,404 4.045,405 2.596,406 1.624,407 1.912,409 3.539,410 1.55,411 2.634,412 1.352,413 3.751,414 2.215,415 1.243,416 1.654,418 2.988,419 1.2,420 2.302,421 1.048,422 3.447,423 1.918,424 0.937,425 1.213,427 1.906,428 0.912,429 1.628,430 0.572,431 3.055,432 1.271,433 0.309,434 0.369,436 0.687,437 0.296,438 1.425,439 0.442,440 2.911,441 1.097,442 0.134,443 0.163,445 0.341,446 0.125,447 1.239,448 0.187,449 2.667,450 0.788,451 -0.141,452 -0.175,454 -0.354,455 -0.118,456 1.025,457 0.009,458 2.491,459 0.626,460 -0.322,461 -0.389,463 -0.717,464 -0.273,465 0.731,466 -0.038,467 2.353,468 0.559,469 -0.399,470 -0.425,472 -1.016,473 -0.386,474 12.214,475 0.489,476 0.606,477 0.024,478 29,479 1.16,480 13.5,481 0.54,482 15.5,483 0.62,484 24.383,485 0.975,486 26.186,487 0.582,488 19.287,489 0.771,490 5.388,491 0.216,492 6.764,493 0.271,494 0.132,496 0.368,501 0.535,502 1.021,503 0.628,504 0.915,505 0.405,506 0.893,507 0.647,508 1.038,509 0.69,510 0.937,511 0.367,512 0.931,513 0.843,514 1.032,515 0.92,516 1.04,517 0.572,518 1.042,519 0.707,520 0.966,521 0.775,522 0.962,523 0.632,524 0.968,525 0.932,526 0.994,527 0.864,528 1.014,529 0.732,530 1.098,531 0.523,532 1.079,533 0.736,534 1.069,535 0.481,536 1.059,537 0.992,538 1.03,539 1.065,540 1.071,541 0.744,542 1.071,543 1.269,544 0.967,545 1.21,546 0.943,547 1.113,548 0.905,549 5,550 0.078,551 2,552 2.188,553 1.662,554 0.965,555 0.605,556 0.488,557 0.25,558 0.184,559 6406,560 18088,561 2.13,562 44.4,563 9,564 8,567 1,568 2,572 1.689,573 2,574 3.088,575 -0.317,582 68.375,583 1.519,584 3.817,585 4.925,586 5.164,587 5.164,588 5.164,589 2.483,590 4.564,591 4.606,592 3.244,593 973.266,594 8.018,595 11321.6,597 1,600 247.133,601 1.388,602 4.579,603 0.179,604 0.011,605 0.05,606 0.051,607 0.041,608 0.026,609 0.017,610 0.017,611 0.011,612 0.013,613 0.415,614 0.17,615 1,616 1.482,617 117.541,618 0.154,619 0.152,620 0.033,621 0.051,622 0.163,623 0.041,624 0.03,625 0.034,626 0.044,627 0.047,628 0.125,629 0.039,630 -0.051,631 -0.021,632 -0.069,633 -0.054,634 -0.043,635 -0.061,636 0.094,637 0.014,638 0.041,639 0.004,640 0.032,641 0.015,642 -0.132,643 0.033,644 -0.118,645 -0.071,646 -0.082,647 -0.141,648 0.131,649 -0.162,650 0.087,651 -0.067,652 0.077,653 -0.036,654 -0.034,655 -0.115,656 -0.036,657 -0.077,658 -0.02,659 -0.069,660 -0.025,661 -0.091,662 0.075,663 0.065,664 -0.004,665 0.101,666 1.075,667 2.504,668 0.68,669 21.152,670 0.998,671 1.128,672 3.139,673 9.854,674 0.688,675 3.367,676 3.714,677 4.025,678 4.407,679 4.745,680 4.963,681 5.159,682 5.375,683 5.451,684 5.525,685 5.325,686 0.648,687 353.89,688 3.367,689 4.92,690 5.79,691 6.701,692 7.599,693 8.525,694 9.437,695 10.371,696 11.289,697 12.226,698 11.1,703 1,708 1,711 1,712 1,714 2,715 3,716 1,720 4,722 11,734 1,740 1,741 45,743 14,744 1,745 28,747 48,748 19,749 9,750 3,751 3,756 4,757 10,758 1,763 1,767 3,768 2,770 3,772 11,773 8,774 2,777 3,784 1,785 1,786 1,790 1,793 20,794 4,795 1,796 6,797 1,802 5,803 1,808 0.25,822 1,829 4,831 1,833 2,835 1,849 1,850 1,859 1,864 1,865 1,868 25,876 5,877 1,880 2,892 1,901 12.5,902 8.46,903 5.472,904 2.904,907 3.009,908 1.384,909 0.993,910 4.392,911 10.847,912 3.624,913 4.241,914 4.82,915 5.463,916 6.096,917 6.539,918 6.993,919 7.468,920 7.836,921 8.032,922 0.833,923 43,924 9.211,926 3.951,927 0.026,929 7.638,931 18.038,933 15.553,936 2.138,937 53.444,941 223.651,942 78.648,943 98.324,944 39.149,948 78.648,949 262.8,950 98.324,951 16.793,952 19.151,953 74.868,954 48.289,955 29.353,957 282.506,959 223.651,960 176.972,962 39.149,964 258.964,965 71.458,968 37.272,969 93.286,970 9.476,972 223.651,973 98.324,974 117.796,977 223.651,978 31.917,979 46.73,980 18.011,981 119.462,982 223.651,983 98.324,984 117.796,986 0.576,987 0.33,988 0.195,989 0.118,990 21,991 9,992 0.083,993 4,994 4,995 1.412,996 3.615,997 222.18,998 0.471,999 16,1000 116.096,1005 16.418,1006 6.688,1007 3.115,1008 2.021,1009 83.009,1010 5.883,1011 4.954,1015 4.375,1017 18.011,1018 439.771,1019 36.5,1026 2.415,1027 3.64,1028 1.475,1031 44.902,1032 50.757,1034 0.277,1035 0.695,1036 0.897,1037 0.94,1038 0.94,1039 0.94,1040 4.881,1041 1.624,1042 5.784,1043 4.874,1044 4.394,1045 4.927,1046 0.809,1047 6.64,1048 4.331,1049 6.092,1050 1.243,1051 7.358,1052 3.539,1053 4.007,1054 4.783,1056 7.594,1057 3.904,1058 7.41,1059 0.937,1060 9.034,1061 2.988,1062 6.014,1063 7.156,1064 0.391,1065 10.771,1066 5.913,1067 8.762,1068 0.309,1069 10.772,1070 1.906,1071 6.431,1072 7.855,1074 12.59,1075 6.309,1076 10.148,1077 0.134,1078 12.55,1079 0.687,1080 7.928,1081 9.717,1082 0.187,1083 15.298,1084 7.803,1085 11.558,1086 -0.141,1087 14.359,1088 0.341,1089 8.751,1090 10.844,1092 17.499,1093 8.612,1094 12.99,1095 -0.322,1096 16.191,1097 -0.354,1098 10.043,1099 12.497,1100 0.089,1101 20.047,1102 9.897,1103 3.319,1104 -0.399,1105 18.041,1106 -0.717,1107 11.064,1108 13.837,1110 22.41,1111 10.905,1112 2.84,1113 11.934,1114 19.907,1115 -1.016,1116 12.28,1117 15.405,1118 0.042,1119 24.906,1120 12.109,1121 2.452,1122 9.32,1123 21.785,1124 4.594,1125 13.392,1126 16.845,1128 27.335,1129 13.207,1130 2.229,1131 7.471,1132 23.673,1133 3.624,1134 14.583,1135 18.382,1136 0.019,1137 29.814,1138 14.385,1139 2.084,1140 6.847,1141 25.57,1142 3.131,1143 15.737,1144 19.867,1146 32.27,1147 15.524,1148 1.894,1149 6.137,1150 27.474,1151 2.926,1152 16.923,1153 21.394,1154 0.009,1155 34.746,1156 16.696,1157 1.755,1158 5.357,1159 29.384,1160 2.726,1161 18.097,1162 22.899,1164 37.214,1165 17.854,1166 6199,1167 10526,1168 18.898,1169 30.978,1170 42.36,1171 42.27,1172 43.47,1173 41.798,1174 41.638,1175 53.792,1176 2.16,1177 122.804,1178 40.102,1179 5.64,1180 5.508,1181 6.921,1182 5.345,1183 5.319,1184 7.594,1185 1.36,1186 19.51,1187 5.265,1188 11.242,1189 1.513,1190 1.51,1191 1.552,1192 1.493,1193 1.487,1194 1.921,1195 0.077,1196 4.386,1197 1.432,1198 4.14,1199 4.169,1200 4.139,1201 4.074,1202 6.727,1203 4.076,1204 3.874,1205 3.908,1206 3.866,1207 3.813,1208 5.038,1209 3.802,1210 3.64,1211 3.733,1212 3.61,1213 3.428,1214 4.698,1215 3.432,1216 3.464,1217 3.513,1218 3.515,1219 3.333,1220 4.434,1221 3.338,1222 3.285,1223 3.374,1224 3.208,1225 3.117,1226 4.397,1227 3.109,1228 3.139,1229 3.22,1230 3.123,1231 2.988,1232 4.125,1233 2.973,1234 3.105,1235 3.189,1236 2.971,1237 2.837,1238 4.018,1239 2.851,1240 2.92,1241 2.982,1242 2.902,1243 2.695,1244 3.798,1245 2.749,1246 0.167,1247 0.125,1248 0.249,1249 0.154,1250 0.119,1251 4.686,1252 0.164,1253 3.508,1254 0.024,1255 6.986,1256 0.426,1257 4.303,1258 0.117,1259 3.319,1260 4.594,1261 0.68,1262 11.934,1263 3.265,1264 2.097,1265 2.073,1266 2.187,1267 2.182,1268 1.535,1269 2.186,1270 1.881,1271 1.85,1272 2,1273 1.971,1274 1.192,1275 1.988,1276 1.565,1277 1.493,1278 1.789,1279 1.835,1280 1.018,1281 1.818,1282 1.453,1283 1.398,1284 1.69,1285 1.603,1286 0.918,1287 1.635,1288 1.242,1289 1.184,1290 1.486,1291 1.481,1292 0.77,1293 1.451,1294 1.148,1295 1.075,1296 1.385,1297 1.363,1298 0.588,1299 1.396,1300 0.987,1301 0.907,1302 1.202,1303 1.295,1304 0.384,1305 1.286,1306 0.88,1307 0.786,1308 1.153,1309 1.091,1310 0.24,1311 1.112,1312 4.043,1314 5.38,1316 6.93,1318 8.6,1320 10.338,1322 2.229,1323 6.19,1328 4.306,1329 3.521,1332 1.097,1340 29.149,1341 68.375,1342 171.775,1343 221.624,1344 232.379,1345 232.379,1346 232.379,1347 35.836,1348 7.838,1349 73.68,1350 73.68,1351 24,1352 12.727,1353 3.907,1354 3.248,1355 35.593,1356 76,1357 108,1358 0.229,1359 182.337,1360 315.11,1361 436.661,1362 25588,1363 2.2,1364 17.389,1365 0.696,1366 0.597,1367 17.889,1368 14.936,1369 12.152,1370 0.434,1371 0.325,1372 8.679,1373 11.501,1374 8.416,1375 6.925,1376 12.441,1377 9.1,1378 11.103,1379 0.278,1380 0.186,1381 11.511,1382 7.459,1383 9.146,1384 0.166,1385 0.099,1386 9.408,1387 5.429,1388 8.477,1389 0.105,1390 0.056,1391 8.711,1392 4.525,1393 7.282,1394 0.064,1395 0.03,1396 7.514,1397 3.466,1398 0.344,1399 78.408,1400 0.23,1401 23.634,1402 0.68,1403 136,1404 349.408,1405 158.486,1406 379.349,1407 510.24,1408 354,1409 163,1410 352.489,1411 179.919,1412 369.879,1413 538.29,1414 348,1415 8.061}
{0 CHEMBL574974,1 1.498,2 9.154,3 4.136,4 17.106,5 106.4275,6 7.665,7 0.379,8 3.963,9 4.092,10 3.566,11 3.566,12 5.023,13 3.519,14 4.537,15 4.719,16 3.942,17 4.018,18 5.473,19 3.937,20 4.862,21 5.087,22 4.061,23 4.217,24 5.721,25 4.106,26 4.914,27 5.15,28 4.048,29 4.212,30 5.786,31 4.093,32 4.92,33 5.16,34 3.979,35 4.214,36 5.761,37 4.084,38 4.964,39 5.218,40 3.969,41 4.214,42 5.755,43 4.055,44 4.952,45 5.233,46 3.875,47 4.094,48 5.782,49 3.923,50 4.735,51 5.02,52 3.757,53 3.834,54 5.696,55 3.679,56 0.073,57 0.733,58 9.602,59 4.426,60 12.619,61 6.034,62 0.107,63 1.203,64 19.222,65 8.075,66 20.159,67 11.241,68 0.223,69 1.559,70 30.491,71 11.161,72 28.714,73 15.748,74 0.295,75 1.631,76 31.791,77 11.418,78 37.144,79 16.368,80 0.27,81 1.64,82 30.823,83 11.304,84 35.625,85 16.229,86 0.204,87 1.618,88 33.947,89 12.97,90 30.578,91 18.582,92 0.299,93 1.526,94 38.242,95 12.316,96 41.405,97 17.718,98 0.344,99 1.201,100 33.858,101 9.039,102 43.904,103 13.015,104 18,105 41,106 0.254,107 0.633,108 0.831,109 0.888,110 0.888,111 0.888,112 3.306,113 0.999,114 -4.59,115 -4.51,116 -4.25,121 41.7,122 1,123 4,124 2,127 2,137 1,138 1,144 3,145 2,146 2,148 2,171 1,176 12,178 1,180 4,181 1,185 2,187 20,192 3,195 1,197 2,200 15,206 5,209 1,211 5,213 1,214 15,219 3,224 2,225 1,227 11,232 3,237 3,239 12,241 2,243 1,244 6,249 1,251 8,252 2,253 2,256 2,258 1,264 7,265 2,266 5,269 3,270 1,277 3,278 5,279 2,281 1032,282 17.98,283 17.98,284 17.98,285 17.98,286 17.98,287 15.908,288 20.555,289 10.769,290 18.266,291 14.296,292 14.296,293 14.296,294 14.296,295 14.296,296 11.249,297 21.546,298 5.086,299 14.811,300 4.087,301 1.854,302 0.688,303 0.349,304 0.349,305 0.349,306 4.007,308 1,311 1,312 1,313 515,314 3.24,318 181.567,320 59.876,322 152.649,324 91.598,325 1.266,326 18.122,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 54.833,338 238,339 4.687,340 3.511,341 6.986,342 4.304,343 3.32,344 4.594,345 0.68,346 11.936,347 3.267,348 4.151,349 3.082,350 6.243,351 3.837,352 2.85,353 3.626,354 0.4,355 9.341,356 2.813,357 3.847,358 2.886,359 5.616,360 3.446,361 2.477,362 3.171,364 7.633,365 2.406,366 3.58,367 2.591,368 5.434,369 3.232,370 2.262,371 2.94,373 6.989,374 2.195,375 3.408,376 2.457,377 5.126,378 3.015,379 2.087,380 2.728,382 6.14,383 1.915,384 3.318,385 2.172,386 4.895,387 2.888,388 1.923,389 2.54,391 5.574,392 1.833,393 3.041,394 2.008,395 4.815,396 2.746,397 1.785,398 2.073,400 5.128,401 1.68,402 2.903,403 1.8,404 4.045,405 2.612,406 1.644,407 1.939,409 3.541,410 1.562,411 2.635,412 1.353,413 3.751,414 2.215,415 1.243,416 1.655,418 2.988,419 1.201,420 2.302,421 1.051,422 3.448,423 1.918,424 0.938,425 1.213,427 1.907,428 0.913,429 1.63,430 0.663,431 3.055,432 1.436,433 0.437,434 0.461,436 0.691,437 0.436,438 1.58,439 0.549,440 2.912,441 1.27,442 0.308,443 0.369,445 0.637,446 0.295,447 1.395,448 0.442,449 2.816,450 1.097,451 0.134,452 0.163,454 0.341,455 0.125,456 1.239,457 0.187,458 2.643,459 0.785,460 -0.143,461 -0.178,463 -0.356,464 -0.119,465 1.014,466 -0.037,467 2.444,468 0.601,469 -0.324,470 -0.401,472 -0.719,473 -0.273,474 12.714,475 0.489,476 0.568,477 0.022,478 29.5,479 1.135,480 13.5,481 0.519,482 16,483 0.615,484 26.39,485 1.015,486 27.486,487 0.573,488 19.684,489 0.757,490 5.35,491 0.206,492 7.34,493 0.282,494 0.127,496 0.354,501 0.537,502 1.043,503 0.65,504 0.941,505 0.407,506 0.919,507 0.645,508 1.059,509 0.71,510 0.964,511 0.374,512 0.958,513 0.822,514 0.99,515 0.881,516 0.982,517 0.546,518 0.98,519 0.721,520 1.025,521 0.817,522 1.024,523 0.656,524 1.029,525 0.878,526 0.962,527 0.828,528 0.977,529 0.681,530 1.05,531 0.512,532 1.111,533 0.764,534 1.114,535 0.484,536 1.105,537 0.89,538 1.017,539 0.968,540 1.014,541 0.668,542 0.996,543 1.441,544 0.934,545 1.235,546 0.902,547 1.163,548 0.898,549 5,550 0.107,551 2,552 2.188,553 1.702,554 1.056,555 0.645,556 0.503,557 0.271,558 0.194,559 7087,560 19309,561 2.124,562 45.8,563 11,564 8,567 1,568 2,572 1.699,573 2,574 3.151,575 -0.332,582 71.923,583 1.498,584 3.731,585 4.897,586 5.236,587 5.236,588 5.236,589 2.623,590 4.393,591 4.662,592 3.303,593 1073.43,594 8.132,595 12864.4,597 1,600 268.078,601 1.37,602 4.637,603 0.172,604 0.012,605 0.049,606 0.049,607 0.04,608 0.026,609 0.017,610 0.016,611 0.01,612 0.011,613 0.403,614 0.17,615 1,616 1.548,617 124.159,618 0.158,619 0.144,620 0.035,621 0.048,622 0.167,623 0.039,624 0.034,625 0.02,626 0.04,627 0.033,628 0.12,629 0.027,630 -0.026,631 0.019,632 -0.017,633 0.011,634 -0.014,635 0.01,636 0.078,637 -0.019,638 -0.006,639 -0.055,640 0.008,641 -0.051,642 -0.098,643 0.055,644 -0.073,645 -0.023,646 -0.045,647 -0.08,648 0.117,649 -0.183,650 0.047,651 -0.111,652 0.056,653 -0.086,654 0.03,655 -0.118,656 0.042,657 -0.021,658 0.031,659 0.009,660 -0.112,661 -0.01,662 0.016,663 0.073,664 -0.044,665 0.071,666 1.073,667 2.531,668 0.654,669 23.337,670 0.996,671 1.129,672 3.362,673 11.304,674 0.682,675 3.401,676 3.738,677 4.06,678 4.431,679 4.779,680 4.997,681 5.215,682 5.425,683 5.533,684 5.598,685 5.513,686 0.639,687 367.92,688 3.401,689 4.949,690 5.82,691 6.727,692 7.628,693 8.552,694 9.466,695 10.397,696 11.318,697 12.253,698 10.4,703 1,708 1,711 1,712 1,714 2,715 3,716 1,720 4,722 11,734 1,740 1,741 48,743 14,744 1,745 29,747 51,748 20,749 9,750 3,751 3,756 4,757 10,758 1,763 1,767 3,768 2,770 4,772 11,773 9,774 2,777 3,784 1,785 1,786 1,790 1,793 22,794 4,795 1,796 6,797 1,802 5,803 1,808 0.25,822 1,829 4,831 1,833 2,835 1,849 1,850 1,859 1,864 1,865 1,868 26,876 6,877 1,880 2,892 1,901 13,902 8.96,903 5.806,904 3.279,907 3.013,908 1.38,909 0.988,910 4.867,911 10.946,912 3.651,913 4.256,914 4.844,915 5.475,916 6.11,917 6.551,918 7.01,919 7.487,920 7.867,921 8.073,922 1,923 45,924 9.591,926 4.094,927 0.026,929 7.613,931 18.855,933 16.215,936 2.113,937 54.944,941 247.193,942 81.182,943 98.324,944 39.149,948 81.182,949 286.342,950 98.324,951 16.793,952 19.151,953 74.868,954 48.289,955 29.353,957 282.506,959 247.193,960 179.506,962 39.149,964 258.964,965 71.458,968 37.272,969 93.286,970 9.476,972 247.193,973 98.324,974 120.331,977 247.193,978 34.452,979 46.73,980 18.011,981 119.462,982 247.193,983 98.324,984 120.331,986 0.57,987 0.334,988 0.194,989 0.119,990 21,991 9,992 0.098,993 5,994 4,995 1.412,996 3.694,997 233.66,998 0.471,999 16,1000 122.211,1005 17.366,1006 7.287,1007 3.342,1008 2.03,1009 83.009,1010 5.903,1011 4.979,1015 4.402,1017 18.011,1018 465.848,1019 37.5,1026 2.47,1027 3.653,1028 1.563,1031 47.785,1032 54.172,1034 0.268,1035 0.668,1036 0.877,1037 0.938,1038 0.938,1039 0.938,1040 4.903,1041 1.644,1042 5.808,1043 5.128,1044 4.419,1045 4.942,1046 0.809,1047 6.663,1048 4.357,1049 6.107,1050 1.243,1051 7.382,1052 3.541,1053 4.007,1054 4.783,1056 7.621,1057 3.904,1058 7.424,1059 0.938,1060 9.058,1061 2.988,1062 6.038,1063 7.167,1064 0.391,1065 10.792,1066 5.939,1067 8.775,1068 0.437,1069 10.795,1070 1.907,1071 6.447,1072 7.862,1074 12.61,1075 6.327,1076 10.161,1077 0.308,1078 12.573,1079 0.691,1080 7.951,1081 9.725,1082 0.187,1083 15.313,1084 7.828,1085 11.572,1086 0.134,1087 14.381,1088 0.637,1089 8.768,1090 10.85,1092 17.511,1093 8.632,1094 13.004,1095 -0.143,1096 16.211,1097 0.341,1098 10.062,1099 12.503,1100 0.089,1101 20.057,1102 9.918,1103 3.32,1104 -0.324,1105 18.06,1106 -0.356,1107 11.08,1108 13.841,1110 22.418,1111 10.923,1112 2.85,1113 11.936,1114 19.924,1115 -0.719,1116 12.295,1117 15.409,1118 0.042,1119 24.912,1120 12.127,1121 2.477,1122 9.341,1123 21.8,1124 4.594,1125 13.406,1126 16.848,1128 27.34,1129 13.224,1130 2.262,1131 7.633,1132 23.687,1133 3.626,1134 14.596,1135 18.385,1136 0.019,1137 29.819,1138 14.401,1139 2.087,1140 6.989,1141 25.582,1142 3.171,1143 15.749,1144 19.869,1146 32.274,1147 15.539,1148 1.923,1149 6.14,1150 27.485,1151 2.94,1152 16.934,1153 21.395,1154 0.009,1155 34.75,1156 16.71,1157 1.785,1158 5.574,1159 29.393,1160 2.728,1161 18.108,1162 22.9,1164 37.218,1165 17.867,1166 6888,1167 11502,1168 19.592,1169 32.739,1170 43.333,1171 43.608,1172 44.79,1173 43.019,1174 42.816,1175 54.941,1176 2.16,1177 125.692,1178 41.28,1179 5.642,1180 5.511,1181 6.921,1182 5.346,1183 5.32,1184 7.594,1185 1.36,1186 19.513,1187 5.267,1188 11.666,1189 1.494,1190 1.504,1191 1.544,1192 1.483,1193 1.476,1194 1.895,1195 0.074,1196 4.334,1197 1.423,1198 4.142,1199 4.17,1200 4.14,1201 4.075,1202 6.727,1203 4.077,1204 3.882,1205 3.916,1206 3.871,1207 3.821,1208 5.038,1209 3.81,1210 3.641,1211 3.733,1212 3.62,1213 3.456,1214 4.697,1215 3.451,1216 3.53,1217 3.589,1218 3.521,1219 3.366,1220 4.425,1221 3.375,1222 3.316,1223 3.396,1224 3.278,1225 3.158,1226 4.397,1227 3.151,1228 3.219,1229 3.297,1230 3.134,1231 3.059,1232 4.127,1233 3.046,1234 3.108,1235 3.195,1236 3.005,1237 2.839,1238 4.035,1239 2.853,1240 2.931,1241 3.009,1242 2.937,1243 2.761,1244 3.896,1245 2.753,1246 0.162,1247 0.121,1248 0.241,1249 0.148,1250 0.114,1251 4.687,1252 0.158,1253 3.511,1254 0.023,1255 6.986,1256 0.412,1257 4.304,1258 0.113,1259 3.32,1260 4.594,1261 0.68,1262 11.936,1263 3.267,1264 2.098,1265 2.074,1266 2.189,1267 2.183,1268 1.542,1269 2.187,1270 1.888,1271 1.858,1272 2.008,1273 1.979,1274 1.204,1275 1.996,1276 1.574,1277 1.514,1278 1.806,1279 1.835,1280 1.04,1281 1.818,1282 1.528,1283 1.452,1284 1.788,1285 1.702,1286 1.016,1287 1.741,1288 1.268,1289 1.216,1290 1.52,1291 1.49,1292 0.849,1293 1.462,1294 1.223,1295 1.151,1296 1.416,1297 1.425,1298 0.612,1299 1.451,1300 0.987,1301 0.908,1302 1.278,1303 1.305,1304 0.502,1305 1.293,1306 0.94,1307 0.858,1308 1.186,1309 1.157,1310 0.288,1311 1.202,1312 4.078,1314 5.407,1316 6.956,1318 8.623,1320 10.36,1322 2.244,1323 6.208,1328 5.469,1329 3.539,1332 1.106,1340 30.676,1341 71.923,1342 179.082,1343 235.059,1344 251.323,1345 251.323,1346 251.323,1347 38.377,1348 7.934,1349 73.68,1350 73.68,1351 24,1352 12.755,1353 3.907,1354 3.248,1355 37.687,1356 82,1357 114,1358 0.225,1359 191.929,1360 332.41,1361 460.066,1362 28697,1363 2.1,1364 18.096,1365 0.696,1366 0.602,1367 18.596,1368 15.643,1369 12.69,1370 0.438,1371 0.333,1372 9.239,1373 12.039,1374 8.982,1375 7.394,1376 12.979,1377 9.661,1378 11.272,1379 0.275,1380 0.186,1381 11.68,1382 7.624,1383 9.585,1384 0.168,1385 0.101,1386 9.847,1387 5.775,1388 8.624,1389 0.104,1390 0.056,1391 8.858,1392 4.646,1393 7.602,1394 0.064,1395 0.031,1396 7.833,1397 3.716,1398 0.339,1399 81.636,1400 0.226,1401 24.476,1402 0.666,1403 140,1404 353.408,1405 162.486,1406 383.039,1407 516.9,1408 358,1409 168,1410 358.489,1411 184.919,1412 374.934,1413 547.24,1414 354,1415 7.863}
{0 CHEMBL575166,1 1.462,2 7.3,3 4.524,4 20.463,5 80.831,6 7.939,7 0.478,8 3.696,9 3.796,10 3.332,11 3.361,12 4.723,13 3.313,14 4.268,15 4.417,16 3.78,17 3.832,18 5.23,19 3.76,20 4.609,21 4.792,22 3.891,23 4.022,24 5.563,25 3.919,26 4.691,27 4.923,28 3.809,29 3.927,30 5.672,31 3.811,32 4.537,33 4.758,34 3.53,35 3.756,36 5.508,37 3.624,38 4.373,39 4.638,40 3.428,41 3.572,42 5.29,43 3.407,44 4.088,45 4.323,46 2.986,47 3.311,48 4.989,49 3.112,50 3.745,51 4.031,52 2.771,53 2.935,54 4.528,55 2.688,56 0.027,57 0.457,58 6.851,59 3.439,60 6.189,61 4.464,62 0.035,63 0.818,64 13.66,65 6.397,66 9.325,67 8.564,68 0.11,69 1.139,70 22.541,71 9.051,72 21.322,73 12.034,74 0.272,75 1.214,76 26.683,77 9.873,78 39.624,79 13.197,80 0.262,81 1.03,82 21.982,83 8.173,84 39.032,85 10.384,86 0.2,87 0.843,88 21.234,89 7.932,90 32.299,91 10.747,92 0.179,93 0.617,94 17.78,95 5.753,96 27.751,97 7.396,98 0.083,99 0.415,100 14.278,101 4.576,102 13.163,103 6.191,104 10,105 35,106 0.265,107 0.662,108 0.83,109 0.884,110 0.884,111 0.884,112 3.061,113 0.975,114 -4.87,115 -4.78,116 -4.49,121 47.2,122 1,123 3,124 2,137 1,138 1,144 3,145 2,146 2,148 2,176 11,180 4,185 2,187 19,192 3,197 2,200 13,206 5,209 1,211 5,214 13,219 1,224 2,227 8,232 1,237 3,239 12,251 7,264 6,277 1,281 364,282 13.411,283 13.411,284 13.411,285 13.411,286 13.411,287 11.787,288 12.821,289 7.587,290 13.626,291 11.383,292 11.383,293 11.383,294 11.383,295 11.383,296 8.897,297 11,298 3.662,299 11.803,300 3.708,301 1.522,302 0.597,303 0.299,304 0.299,305 0.299,306 3.759,308 1,311 1,312 1,313 327,314 2.121,318 122.588,320 41.242,322 99.424,324 60.137,325 1.23,326 17.89,328 1,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 41.833,338 146,339 4.673,340 3.514,341 6.939,342 4.283,343 3.302,344 4.585,345 0.68,346 11.686,347 3.239,348 4.143,349 3.065,350 6.232,351 3.821,352 2.836,353 3.62,355 9.285,356 2.792,357 3.805,358 2.857,359 5.533,360 3.401,361 2.433,362 3.122,364 7.367,365 2.359,366 3.543,367 2.54,368 5.363,369 3.175,370 2.201,371 2.908,373 6.745,374 2.145,375 3.398,376 2.457,377 5.096,378 2.998,379 2.081,380 2.716,382 6.046,383 1.847,384 3.009,385 2.092,386 4.801,387 2.809,388 1.837,389 2.045,391 5.249,392 1.772,393 2.87,394 1.856,395 4.657,396 2.596,397 1.626,398 1.902,400 4.78,401 1.543,402 2.49,403 1.248,404 3.953,405 2.064,406 1.096,407 1.485,409 2.875,410 1.045,411 1.431,412 0.578,413 3.306,414 1.155,415 0.182,416 0.21,418 0.534,419 0.172,420 1.339,421 0.358,422 3,423 0.934,429 1.03,430 0.147,431 2.668,432 0.658,433 -0.245,434 -0.293,436 -0.613,437 -0.178,438 0.687,439 0.009,440 2.491,441 0.566,442 -0.399,443 -0.418,445 -1.016,446 -0.385,447 0.623,448 -0.524,449 2.343,450 0.245,451 -0.688,452 -0.856,454 -1.966,455 -0.619,456 0.352,457 -0.563,458 2.194,459 0.078,460 -0.912,461 -1.011,463 -2.74,464 -0.891,465 0.156,466 -0.885,467 1.916,468 -0.159,469 -1.123,470 -1.48,472 -3.102,473 -0.952,474 9.948,475 0.497,476 0.644,477 0.032,478 24,479 1.2,480 11.5,481 0.575,482 12.5,483 0.625,484 18.318,485 0.916,486 20.652,487 0.574,488 14.095,489 0.705,490 4.117,491 0.206,492 5.497,493 0.275,494 0.156,496 0.452,501 0.749,502 0.984,503 0.614,504 0.816,505 0.828,506 0.82,507 0.537,508 1.081,509 0.617,510 0.896,511 0.478,512 0.879,513 0.827,514 1.192,515 0.905,516 1.098,517 0.791,518 1.076,519 0.906,520 1.042,521 0.742,522 0.963,523 0.974,524 0.945,525 1.591,526 0.962,527 0.894,528 0.917,529 1.79,530 1.031,531 0.546,532 0.906,533 0.662,534 0.892,535 0.596,536 0.879,537 1.489,538 0.946,539 1.469,540 1.119,541 1.526,542 1.192,543 0.765,544 0.861,545 1.322,546 0.989,547 0.58,548 0.971,549 5,551 2,552 2.188,553 1.622,554 0.819,555 0.322,556 0.252,557 0.07,558 0.051,559 3521,560 8685,561 2.163,562 44.4,563 9,564 4,567 1,568 2,572 1.623,573 2,574 2.862,575 -0.37,582 52.63,583 1.462,584 3.647,585 4.572,586 4.871,587 4.871,588 4.871,589 2.461,590 3.546,591 4.297,592 2.934,593 557.498,594 7.366,595 5317.92,597 1,600 186.117,601 1.458,602 4.245,603 0.217,605 0.057,606 0.059,607 0.051,608 0.036,609 0.017,610 0.023,611 0.01,612 0.026,613 0.495,614 0.83,615 1,616 0.627,617 85.244,618 -0.06,619 0.057,620 0.015,621 0.086,622 -0.074,623 0.074,624 0.038,625 -0.059,626 0.074,627 0.025,628 0.09,629 0.051,630 -0.036,631 -0.175,632 -0.089,633 -0.169,634 -0.027,635 -0.14,636 0.123,637 -0.042,638 0.069,639 -0.027,640 0.115,641 0.009,642 -0.252,643 0.047,644 -0.117,645 0.003,646 -0.278,647 -0.108,648 0.254,649 0.013,650 0.241,651 0.103,652 0.26,653 0.146,654 -0.277,655 -0.003,656 -0.274,657 -0.112,658 -0.329,659 -0.206,660 0.052,661 0.002,662 0.123,663 0.105,664 0.047,665 0.117,666 1.25,667 4.682,668 0.85,669 10.84,670 0.995,671 1.11,672 3.644,673 13.278,674 0.706,675 3.178,676 3.584,677 3.912,678 4.29,679 4.605,680 4.804,681 4.942,682 5.153,683 5.182,684 5.257,685 4.302,686 0.661,687 285.79,688 3.178,689 4.762,690 5.652,691 6.581,692 7.487,693 8.421,694 9.334,695 10.27,696 11.185,697 12.123,698 2.8,708 1,714 2,715 3,716 1,720 4,722 11,738 1,740 1,741 36,743 12,744 1,745 23,747 39,748 17,749 9,750 3,751 3,756 4,757 10,758 1,763 1,767 3,768 2,770 3,772 11,773 6,774 2,777 1,784 1,786 1,790 1,793 16,794 2,795 1,796 3,797 1,802 1,808 0.25,809 1,822 1,829 4,831 1,833 2,835 1,849 1,850 1,859 1,864 1,865 1,868 20,875 1,876 3,880 2,892 1,893 2.8,895 1,901 10,902 6.793,903 4.139,904 2.325,907 2.745,908 1.368,909 1.002,910 2.664,911 10.201,912 3.418,913 4.103,914 4.727,915 5.382,916 6.012,917 6.445,918 6.857,919 7.325,920 7.675,921 7.84,922 1,923 37,924 7.44,926 3.347,927 0.026,929 7.597,931 14.618,933 13.156,936 2.097,937 41.944,938 0.001,941 176.567,942 71.679,943 16.786,944 39.149,945 42.683,948 71.679,949 258.399,950 16.786,951 8.825,952 7.604,953 37.905,954 59.469,955 17.346,957 176.567,958 39.149,959 176.567,960 88.465,961 42.683,962 39.149,964 176.567,965 42.683,968 21.33,969 40.873,970 65.41,972 176.567,973 59.469,974 110.828,977 176.567,978 24.949,979 46.73,981 98.618,982 176.567,983 59.469,984 110.828,986 0.604,987 0.355,988 0.208,989 0.12,990 21,991 9,994 4,995 1.412,996 3.147,997 169.942,998 0.471,999 16,1000 86.439,1005 12.371,1006 4.308,1007 1.904,1008 1.619,1009 59.469,1010 5.523,1011 4.771,1015 3.21,1017 42.683,1018 346.863,1019 29.5,1026 2.375,1028 1.438,1031 35.822,1032 39.973,1034 0.283,1035 0.706,1036 0.884,1037 0.942,1038 0.942,1039 0.942,1040 4.707,1041 1.096,1042 5.68,1043 4.78,1044 4.263,1045 4.787,1046 0.655,1047 6.564,1048 4.199,1049 5.951,1050 0.182,1051 7.28,1052 2.875,1053 4.007,1054 4.783,1056 7.545,1057 3.892,1058 7.294,1060 8.974,1061 0.534,1062 5.927,1063 7.07,1064 0.356,1065 10.703,1066 5.826,1067 8.666,1068 -0.245,1069 10.721,1071 6.415,1072 7.846,1074 12.497,1075 6.277,1076 10.068,1077 -0.399,1078 12.504,1079 -0.613,1080 7.869,1081 9.67,1082 0.18,1083 15.199,1084 7.738,1085 11.491,1086 -0.688,1087 14.314,1088 -1.016,1089 8.721,1090 10.83,1092 17.365,1093 8.562,1094 12.932,1095 -0.912,1096 16.144,1097 -1.966,1098 9.994,1099 12.468,1100 0.087,1101 19.904,1102 9.832,1103 3.302,1104 -1.123,1105 17.991,1106 -2.74,1107 11.024,1108 13.819,1110 22.234,1111 10.839,1112 2.836,1113 11.686,1114 19.851,1115 -3.102,1116 12.229,1117 15.382,1118 0.041,1119 24.714,1120 12.034,1121 2.433,1122 9.285,1123 21.724,1124 4.585,1125 13.341,1126 16.824,1128 27.115,1129 13.125,1130 2.201,1131 7.367,1132 23.606,1133 3.62,1134 14.525,1135 18.358,1136 0.019,1137 29.575,1138 14.295,1139 2.081,1140 6.745,1141 25.497,1142 3.122,1143 15.676,1144 19.842,1146 32.006,1147 15.425,1148 1.837,1149 6.046,1150 27.394,1151 2.908,1152 16.856,1153 21.367,1154 0.009,1155 34.462,1156 16.588,1157 1.626,1158 5.249,1159 29.297,1160 2.716,1161 18.025,1162 22.87,1164 36.906,1165 17.737,1166 3338,1167 5350,1168 15.433,1169 25.409,1170 35.747,1171 36.067,1172 36.981,1173 35.386,1174 35.189,1175 45.184,1176 1.36,1177 109.137,1178 33.827,1179 5.626,1180 5.514,1181 6.224,1182 5.326,1183 5.302,1184 7.585,1185 1.36,1186 19.262,1187 5.239,1188 9.098,1189 1.554,1190 1.568,1191 1.608,1192 1.539,1193 1.53,1194 1.965,1195 0.059,1196 4.745,1197 1.471,1198 4.131,1199 4.155,1200 4.133,1201 4.065,1202 6.468,1203 4.067,1204 3.873,1205 3.905,1206 3.865,1207 3.813,1208 5.004,1209 3.802,1210 3.467,1211 3.509,1212 3.575,1213 3.383,1214 4.659,1215 3.375,1216 3.248,1217 3.293,1218 3.2,1219 3.125,1220 4.424,1221 3.112,1222 3.138,1223 3.216,1224 3.045,1225 2.988,1226 4.076,1227 2.973,1228 2.961,1229 3.015,1230 2.903,1231 2.827,1232 3.839,1233 2.819,1234 2.713,1235 2.796,1236 2.749,1237 2.603,1238 3.579,1239 2.582,1240 2.663,1241 2.769,1242 2.516,1243 2.431,1244 3.451,1245 2.39,1246 0.203,1247 0.153,1248 0.302,1249 0.186,1250 0.144,1251 4.673,1252 0.199,1253 3.514,1254 0.03,1255 6.939,1256 0.508,1257 4.283,1258 0.141,1259 3.302,1260 4.585,1261 0.68,1262 11.686,1263 3.239,1264 2.089,1265 2.068,1266 2.181,1267 2.174,1268 1.53,1269 2.177,1270 1.879,1271 1.85,1272 1.992,1273 1.966,1274 1.165,1275 1.982,1276 1.464,1277 1.424,1278 1.691,1279 1.603,1280 0.918,1281 1.636,1282 1.242,1283 1.196,1284 1.487,1285 1.405,1286 0.769,1287 1.428,1288 1.147,1289 1.075,1290 1.38,1291 1.351,1292 0.576,1293 1.377,1294 0.941,1295 0.891,1296 1.183,1297 1.141,1298 0.368,1299 1.149,1300 0.734,1301 0.669,1302 1.144,1303 1.001,1304 0.213,1305 1.063,1306 0.709,1307 0.598,1308 1.02,1309 0.933,1310 0.158,1311 0.967,1312 3.85,1314 5.231,1316 6.821,1318 8.518,1320 10.271,1322 2.19,1323 6.038,1327 10.682,1328 3.107,1332 0.992,1340 23.778,1341 52.63,1342 131.309,1343 164.608,1344 175.362,1345 175.362,1346 175.362,1347 28.824,1348 7.456,1349 33.12,1350 33.12,1351 24,1352 12.624,1353 3.7,1354 2.907,1355 26.016,1356 54,1357 50,1358 0.261,1359 145.826,1360 250.58,1361 347.575,1362 15563,1363 2.8,1364 13.853,1365 0.693,1366 0.606,1367 14.353,1368 12.114,1369 9.614,1370 0.418,1371 0.325,1372 7.098,1373 9.18,1374 6.85,1375 5.618,1376 9.903,1377 7.477,1378 9.448,1379 0.27,1380 0.187,1381 9.857,1382 6.533,1383 7.993,1384 0.163,1385 0.098,1386 8.255,1387 4.811,1388 7.551,1389 0.105,1390 0.056,1391 7.786,1392 4.022,1393 6.224,1394 0.063,1395 0.03,1396 6.456,1397 3.011,1398 0.384,1399 61.846,1400 0.255,1401 19.105,1402 0.797,1403 116,1404 267.998,1405 135.677,1406 298,1407 406.91,1408 278,1409 142,1410 284.71,1411 156.415,1412 302.573,1413 448.71,1414 286,1415 4.833}
{0 CHEMBL575167,1 1.45,2 11.806,3 6.79,4 46.108,5 123.183,6 6.927,7 0.364,8 4.179,9 4.295,10 3.679,11 3.697,12 5.27,13 3.66,14 4.741,15 4.923,16 3.982,17 4.083,18 5.796,19 4.021,20 4.99,21 5.201,22 4.125,23 4.287,24 5.929,25 4.197,26 5.143,27 5.369,28 4.133,29 4.371,30 6.068,31 4.26,32 5.218,33 5.457,34 4.096,35 4.408,36 6.063,37 4.277,38 5.2,39 5.443,40 4.055,41 4.401,42 5.99,43 4.251,44 5.247,45 5.514,46 4.031,47 4.336,48 6.079,49 4.189,50 5.14,51 5.391,52 3.99,53 4.227,54 6.057,55 4.107,56 0.114,57 0.824,58 13.542,59 5.993,60 13.872,61 7.955,62 0.32,63 1.329,64 25.588,65 9.725,66 51.223,67 13.263,68 0.297,69 1.692,70 32.9,71 12.776,72 39.708,73 17.916,74 0.296,75 1.902,76 38.938,77 14.769,78 56.641,79 20.712,80 0.486,81 1.982,82 42.768,83 16.034,84 60.599,85 22.415,86 0.342,87 1.985,88 41.345,89 16.348,90 47.984,91 23.075,92 0.5,93 1.985,94 44.793,95 15.922,96 62.346,97 23.002,98 0.381,99 1.776,100 40.165,101 13.901,102 53.339,103 19.74,104 48,105 44,106 0.234,107 0.54,108 0.738,109 0.816,110 0.838,111 0.843,112 3.472,113 0.978,114 -5.49,115 -5.37,116 -5.01,121 41,123 6,126 2,127 2,129 1,142 1,143 1,144 6,145 3,146 3,168 2,176 14,179 1,180 8,187 14,191 1,192 15,200 12,206 12,214 14,218 1,219 5,227 17,231 2,232 5,239 15,243 2,244 10,251 10,256 12,264 10,268 1,269 9,277 10,281 2021,282 21.284,283 21.284,284 21.284,285 21.284,286 21.284,287 19.374,288 26.922,289 12.893,290 21.787,291 16.135,292 16.135,293 16.135,294 16.135,295 16.135,296 13.07,297 31.425,298 5.903,299 16.747,300 4.48,301 2.587,302 1.361,303 0.877,304 0.746,305 0.713,306 4.156,312 1,313 758,314 4,318 257.753,322 146.239,325 1.761,326 28.789,329 0.75,330 0.83,331 0.83,332 1,333 0.5,334 1,335 1,336 0.85,337 67,338 366,339 4.515,340 3.78,341 6.915,342 4.236,343 3.26,344 4.139,345 2.612,346 11.662,347 3.182,348 4.256,349 3.629,350 6.199,351 3.802,352 2.844,353 3.948,354 1.277,355 9.229,356 2.735,357 4.05,358 3.17,359 5.923,360 3.662,361 2.707,362 3.444,363 0.86,364 8.188,365 2.573,366 3.652,367 2.617,368 5.714,369 3.263,370 2.288,371 3.048,372 0.86,373 7.501,374 2.221,375 3.5,376 2.45,377 5.222,378 3.094,379 2.141,380 2.467,381 0.494,382 6.287,383 2.035,384 3.327,385 2.417,386 4.78,387 2.824,388 1.83,389 2.258,391 5.149,392 1.816,393 3.11,394 2.234,395 4.205,396 2.745,397 1.782,398 2.116,400 3.67,401 1.716,402 2.911,403 2.033,404 3.851,405 2.42,406 1.431,407 1.996,409 3.455,410 1.415,411 2.729,412 1.67,413 3.779,414 2.322,415 1.372,416 1.627,418 2.822,419 1.299,420 2.5,421 1.64,422 3.491,423 2.105,424 1.141,425 1.5,427 2.716,428 1.09,429 2.372,430 1.072,431 3.414,432 2,433 1,434 1.354,436 2.275,437 1,438 2.182,439 1,440 3.253,441 1.848,442 0.858,443 1.004,445 1.624,446 0.849,447 1.73,448 1,449 3.055,450 1.471,451 0.548,452 0.63,454 1.102,455 0.501,456 1.587,457 0.984,458 2.772,459 1.304,460 0.404,461 0.444,463 0.656,464 0.353,465 1.453,466 0.848,467 2.625,468 1.178,469 0.244,470 0.283,472 0.401,473 0.231,474 14.633,475 0.472,476 0.589,477 0.019,478 37,479 1.194,480 18,481 0.581,482 19,483 0.613,484 29.831,485 0.962,486 34.567,487 0.567,488 29.412,489 0.949,490 7.186,491 0.232,492 7.897,493 0.255,494 0.148,496 0.294,501 0.564,502 1.277,503 0.833,504 1.176,505 0.517,506 1.07,507 0.955,508 1.049,509 0.947,510 0.966,511 0.455,512 0.951,513 0.644,514 1.112,515 0.887,516 1.056,517 0.451,518 1.011,519 0.814,520 1.108,521 0.987,522 1.093,523 0.729,524 1.068,525 0.891,526 0.962,527 1.02,528 0.989,529 0.68,530 1.021,531 0.574,532 1.098,533 0.992,534 1.155,535 0.391,536 1.146,537 0.739,538 0.997,539 0.913,540 0.989,541 0.574,542 0.98,543 1.005,544 1.051,545 0.978,546 1.039,547 0.763,548 1.005,549 5,550 0.231,551 3.333,552 2,553 1.911,554 1.069,555 0.827,556 0.609,557 0.382,558 0.325,559 11521,560 31797,561 2.012,562 49.2,563 8,564 17,565 1,569 4,572 1.743,573 1.879,574 3.479,575 -0.799,582 88.472,583 1.45,584 3.344,585 4.57,586 5.054,587 5.185,588 5.217,589 2.955,590 4.349,591 4.91,592 3.675,593 1708.92,594 8.627,595 24363.8,600 361.775,601 1.418,602 4.881,603 0.152,604 0.009,605 0.076,606 0.04,607 0.039,608 0.023,609 0.019,610 0.015,611 0.01,612 0.01,613 0.39,614 0.17,615 0.88,616 1.924,617 160.429,618 0.179,619 -0.064,620 0.068,621 -0.046,622 0.053,623 -0.02,624 -0.003,625 0.054,626 0.011,627 0.073,628 0.175,629 0.05,630 0.071,631 -0.04,632 0.047,633 -0.021,634 0.085,635 0.007,636 -0.043,637 -0.076,638 -0.041,639 -0.077,640 -0.004,641 -0.06,642 -0.058,643 0.029,644 -0.061,645 0.018,646 -0.062,647 -0.017,648 0.046,649 -0.099,650 -0.065,651 -0.131,652 -0.005,653 -0.121,654 0.052,655 -0.038,656 0.055,657 -0.018,658 0.032,659 0.012,660 -0.047,661 -0.078,662 0.009,663 -0.074,664 0.015,665 -0.028,666 2.361,667 4.107,668 0.516,669 38.225,670 0.998,671 1.125,672 4.262,673 18.166,674 0.647,675 3.526,676 3.807,677 4.094,678 4.357,679 4.644,680 4.804,681 4.997,682 5.136,683 5.215,684 5.215,685 6.951,686 0.611,687 422.57,688 3.526,689 5.043,690 5.889,691 6.76,692 7.637,693 8.525,694 9.417,695 10.316,696 11.216,697 12.121,698 3.3,701 1,709 1,715 6,720 6,722 12,735 1,739 2,741 61,743 15,744 2,745 33,747 63,748 25,749 12,750 6,751 6,756 3,757 4,767 2,770 7,771 2,772 12,773 11,777 2,779 1,782 2,793 30,794 5,796 6,802 2,808 0.667,809 4,829 3,833 1,836 1,837 1,855 1,859 2,864 2,868 31,876 8,878 2,880 1,881 1,885 1,886 1,891 1,893 6.6,898 2,899 2,901 16.5,902 11.483,903 7.25,904 3.814,907 2.438,908 1.32,909 0.935,910 8.34,911 10.052,912 3.784,913 4.29,914 4.8,915 5.317,916 5.868,917 6.165,918 6.532,919 6.835,920 7.139,921 7.392,922 0.875,923 50,924 11.454,926 4.71,927 0.026,929 7.785,931 22.074,933 17.822,936 2.285,937 70.833,941 353.133,942 161.194,943 8.794,945 72.747,948 161.194,949 425.88,950 8.794,951 27.436,952 19.419,953 56.857,955 47.924,956 52.123,957 341.362,958 50.747,959 353.133,960 169.989,961 72.747,964 306.049,965 69.084,966 50.747,968 22.543,969 124.745,970 22.701,972 353.133,973 81.541,974 161.194,977 353.133,978 42.219,979 87.418,980 17.031,981 96.068,982 353.133,983 81.541,984 161.194,986 0.559,987 0.334,988 0.179,989 0.101,990 18,991 9,992 0.159,993 10,994 1,995 1.125,996 4.106,997 273.567,998 0.125,999 16,1000 147.58,1005 23.125,1006 11.181,1007 5.581,1009 75.871,1010 11.025,1015 4.976,1018 595.868,1019 43,1021 -0.361,1024 22.214,1031 60.883,1032 68.647,1034 0.245,1035 0.564,1036 0.771,1037 0.852,1038 0.874,1039 0.88,1040 5.017,1041 1.431,1042 5.855,1043 3.67,1044 4.489,1045 4.977,1046 2.898,1047 6.671,1048 4.421,1049 6.199,1050 1.372,1051 7.415,1052 3.455,1053 4.007,1054 4.771,1055 2.493,1056 7.633,1057 3.895,1058 7.498,1059 1.141,1060 9.084,1061 2.822,1062 6.071,1063 7.105,1064 4.235,1065 10.757,1066 5.941,1067 8.833,1068 1,1069 10.818,1070 2.716,1071 6.463,1072 7.749,1073 4.54,1074 12.582,1075 6.284,1076 10.201,1077 0.858,1078 12.594,1079 2.275,1080 7.961,1081 9.552,1082 5.964,1083 15.233,1084 7.773,1085 11.591,1086 0.548,1087 14.4,1088 1.624,1089 8.762,1090 10.575,1091 6.564,1092 17.414,1093 8.531,1094 13,1095 0.404,1096 16.227,1097 1.102,1098 10.038,1099 12.166,1100 7.798,1101 19.917,1102 9.796,1103 3.26,1104 0.244,1105 18.069,1106 0.656,1107 11.032,1108 13.369,1109 8.55,1110 22.251,1111 10.755,1112 2.844,1113 11.662,1114 19.923,1115 0.401,1116 12.225,1117 14.863,1118 9.671,1119 24.71,1120 11.933,1121 2.707,1122 9.229,1123 21.788,1124 4.139,1125 13.308,1126 16.158,1127 10.509,1128 27.11,1129 12.988,1130 2.288,1131 8.188,1132 23.661,1133 3.948,1134 14.473,1135 17.607,1136 11.563,1137 29.559,1138 14.136,1139 2.141,1140 7.501,1141 25.541,1142 3.444,1143 15.598,1144 18.949,1145 12.452,1146 31.988,1147 15.237,1148 1.83,1149 6.287,1150 27.428,1151 3.048,1152 16.758,1153 20.376,1154 13.468,1155 34.437,1156 16.377,1157 1.782,1158 5.149,1159 29.32,1160 2.467,1161 17.905,1162 21.746,1163 14.386,1164 36.879,1165 17.501,1166 11621,1167 19498,1168 21.671,1169 39.489,1170 48.658,1171 49.765,1172 50.483,1173 47.641,1174 47.703,1175 60.518,1176 12.206,1177 133.471,1178 46.033,1179 5.464,1180 5.78,1181 6.879,1182 5.275,1183 5.26,1184 7.139,1185 4.612,1186 18.95,1187 5.182,1188 17.11,1189 1.474,1190 1.508,1191 1.53,1192 1.444,1193 1.446,1194 1.834,1195 0.37,1196 4.045,1197 1.395,1198 4.079,1199 4.107,1200 4.03,1201 3.992,1202 7.815,1203 3.996,1204 3.916,1205 3.94,1206 3.879,1207 3.796,1208 6.999,1209 3.805,1210 3.764,1211 3.822,1212 3.624,1213 3.651,1214 5.429,1215 3.634,1216 3.613,1217 3.661,1218 3.531,1219 3.444,1220 4.929,1221 3.446,1222 3.481,1223 3.518,1224 3.402,1225 3.289,1226 4.689,1227 3.292,1228 3.414,1229 3.463,1230 3.28,1231 3.122,1232 4.495,1233 3.17,1234 3.249,1235 3.315,1236 3.066,1237 3.014,1238 4.363,1239 3.008,1240 3.191,1241 3.265,1242 3.018,1243 2.943,1244 4.138,1245 2.96,1246 0.137,1247 0.115,1248 0.21,1249 0.128,1250 0.099,1251 4.515,1252 0.125,1253 3.78,1254 0.079,1255 6.915,1256 0.353,1257 4.236,1258 0.096,1259 3.26,1260 4.139,1261 2.612,1262 11.662,1263 3.182,1264 2.022,1265 1.998,1266 2.121,1267 2.135,1268 1.423,1269 2.128,1270 1.861,1271 1.838,1272 2.012,1273 2.027,1274 1.333,1275 1.994,1276 1.775,1277 1.718,1278 1.96,1279 1.925,1280 1.088,1281 1.954,1282 1.574,1283 1.52,1284 1.797,1285 1.774,1286 1.059,1287 1.775,1288 1.425,1289 1.374,1290 1.671,1291 1.651,1292 0.859,1293 1.648,1294 1.259,1295 1.221,1296 1.576,1297 1.605,1298 0.679,1299 1.555,1300 1.185,1301 1.118,1302 1.512,1303 1.523,1304 0.587,1305 1.533,1306 1.182,1307 1.106,1308 1.465,1309 1.419,1310 0.573,1311 1.453,1312 4.205,1314 5.493,1316 6.997,1318 8.611,1320 10.29,1322 3.287,1328 8.102,1330 11.056,1332 0.023,1333 2.469,1337 5.342,1339 2.7,1340 37.277,1341 88.472,1342 203.959,1343 278.755,1344 308.265,1345 316.265,1346 318.265,1347 67.801,1348 7.614,1349 67.52,1350 67.52,1351 18,1352 12.641,1353 4,1354 3.459,1355 57.833,1356 117,1357 185,1358 0.227,1359 231.626,1360 415.58,1361 556.927,1362 19745,1364 22.217,1365 0.717,1366 0.59,1367 22.217,1368 18.303,1369 15.083,1370 0.457,1371 0.326,1372 10.596,1373 14.431,1374 10.307,1375 8.601,1376 15.083,1377 10.753,1378 12.622,1379 0.287,1380 0.178,1381 12.622,1382 7.811,1383 10.68,1384 0.181,1385 0.1,1386 10.68,1387 5.91,1388 8.719,1389 0.113,1390 0.056,1391 8.719,1392 4.303,1393 7.25,1394 0.07,1395 0.031,1396 7.25,1397 3.23,1398 0.351,1399 95.204,1400 0.215,1401 29.021,1402 0.638,1403 154,1404 466.232,1405 168.348,1406 442.945,1407 590.46,1408 412,1409 180,1410 423.921,1411 195.073,1412 427.382,1413 615.65,1414 397,1415 5.535}
{0 CHEMBL575613,1 1.33,2 6.842,3 2.425,4 5.881,5 75.386,6 6.982,7 0.5,8 3.692,9 3.822,10 3.23,11 3.307,12 4.694,13 3.263,14 4.263,15 4.439,16 3.643,17 3.771,18 5.171,19 3.701,20 4.576,21 4.782,22 3.749,23 3.96,24 5.453,25 3.858,26 4.676,27 4.937,28 3.643,29 3.896,30 5.543,31 3.767,32 4.561,33 4.826,34 3.347,35 3.739,36 5.418,37 3.589,38 4.416,39 4.723,40 3.071,41 3.512,42 5.154,43 3.322,44 4.05,45 4.343,46 2.599,47 3.157,48 4.861,49 2.964,50 3.665,51 3.993,52 1.941,53 2.688,54 4.281,55 2.416,56 0.04,57 0.542,58 7.909,59 3.33,60 7.282,61 4.662,62 0.093,63 0.925,64 14.705,65 6.236,66 11.172,67 8.793,68 0.109,69 1.225,70 20.764,71 8.305,72 17.056,73 11.952,74 0.22,75 1.305,76 24.292,77 8.845,78 28.432,79 13.03,80 0.218,81 1.158,82 21.871,83 7.193,84 28.408,85 10.791,86 0.129,87 0.921,88 19.338,89 7.266,90 20.827,91 10.778,92 0.136,93 0.658,94 13.349,95 4.469,96 19.538,97 6.709,98 0.049,99 0.398,100 9.138,101 3.73,102 9.309,103 5.475,104 5,105 33,106 0.241,107 0.656,108 0.834,109 0.874,110 0.874,111 0.874,112 3.014,113 0.944,114 -4.1,115 -4.05,116 -3.83,121 44.4,122 1,123 3,124 2,137 1,138 1,144 2,145 2,146 1,147 1,148 1,151 1,165 1,166 1,167 1,176 11,179 1,180 5,185 2,187 15,189 2,192 4,197 2,200 11,203 2,206 6,208 2,209 2,211 4,214 10,216 4,219 3,224 2,227 6,229 2,232 4,237 2,239 7,241 2,244 1,251 4,256 1,264 2,281 324,282 12.964,283 12.964,284 12.964,285 12.964,286 12.964,287 11.364,288 11.879,289 7.451,290 13.093,291 10.9,292 10.9,293 10.9,294 10.9,295 10.9,296 8.484,297 11.145,298 3.582,299 11.125,300 3.84,301 1.557,302 0.577,303 0.354,304 0.354,305 0.354,306 3.714,310 1,311 1,312 1,313 294,314 2,318 112.36,320 37.088,322 92.061,324 54.879,325 1.025,326 12.434,328 1,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 39.5,338 130,339 4.664,340 3.488,341 6.938,342 4.281,343 3.297,344 4.567,345 0.68,346 11.678,347 3.244,348 4.108,349 2.982,350 6.215,351 3.792,352 2.806,353 3.553,355 9.208,356 2.766,357 3.755,358 2.61,359 5.517,360 3.343,361 2.357,362 3.072,364 7.303,365 2.325,366 3.496,367 2.488,368 5.356,369 3.173,370 2.197,371 2.858,373 6.733,374 2.146,375 3.012,376 2.068,377 4.975,378 2.824,379 1.854,380 2.177,382 5.516,383 1.792,384 3.001,385 1.881,386 4.667,387 2.698,388 1.716,389 2.042,391 4.896,392 1.682,393 2.823,394 1.421,395 3.911,396 2.381,397 1.4,398 1.882,400 3.075,401 1.372,402 2.406,403 1.079,404 3.647,405 1.958,406 1.002,407 1.371,409 2.603,410 0.956,411 1.369,412 0.48,413 3.233,414 1.125,415 0.14,416 0.158,418 0.409,419 0.138,420 1.333,421 0.124,422 2.95,423 0.942,429 0.859,430 0.009,431 2.588,432 0.621,433 -0.371,434 -0.386,436 -0.967,437 -0.368,438 0.642,439 -0.465,440 2.427,441 0.424,442 -0.548,443 -0.701,445 -1.447,446 -0.531,447 0.563,448 -0.6,449 2.191,450 0.109,451 -0.857,452 -1.003,454 -2.076,455 -0.826,456 0.329,457 -0.803,458 2,459 0.079,460 -0.914,461 -1.194,463 -2.707,464 -0.907,465 0.094,466 -0.995,467 1.873,468 -0.19,469 -1.166,470 -1.481,472 -3.264,473 -1.138,474 9.2,475 0.484,476 0.538,477 0.028,478 23.75,479 1.25,480 11.5,481 0.605,482 12.25,483 0.645,484 16.155,485 0.85,486 19.6,487 0.544,488 13.525,489 0.712,490 4.105,491 0.216,492 5.116,493 0.269,494 0.098,496 0.435,501 0.967,502 1.084,503 0.841,504 0.931,505 1.078,506 0.885,507 0.637,508 1.04,509 0.814,510 0.976,511 0.567,512 0.922,513 0.865,514 1.254,515 0.999,516 1.164,517 0.829,518 1.106,519 0.945,520 1.046,521 0.957,522 1.005,523 0.919,524 0.987,525 1.716,526 0.979,527 1.289,528 1.018,529 1.725,530 1.098,531 0.74,532 0.928,533 0.866,534 0.931,535 0.776,536 0.914,537 1.609,538 0.809,539 1.285,540 0.958,541 1.598,542 1.068,543 0.313,544 0.902,545 0.893,546 1.052,547 0.428,548 1.029,549 4,551 1.778,552 2,553 1.431,554 0.681,555 0.242,556 0.142,557 0.037,558 0.016,559 3088,560 6172,561 2.205,562 47.2,563 9,564 3,566 1,567 2,568 2,572 1.609,573 2.073,574 2.788,575 0.29,577 1,579 1,582 47.876,583 1.33,584 3.613,585 4.593,586 4.816,587 4.816,588 4.816,589 2.249,590 3.932,591 4.225,592 2.833,593 484.381,594 7.223,595 4463.99,596 1,597 1,599 1,600 186.117,601 1.378,602 4.186,603 0.182,605 0.054,606 0.057,607 0.048,608 0.032,609 0.015,610 0.016,611 0.009,612 0.016,613 0.429,614 1,615 1,616 0.565,617 79.029,618 -0.065,619 0.048,620 0.057,621 0.085,622 -0.083,623 0.083,624 0.159,625 0.012,626 0.103,627 0.042,628 0.15,629 0.063,630 0.006,631 -0.239,632 -0.063,633 -0.171,634 -0.002,635 -0.132,636 0.141,637 -0.065,638 0.027,639 -0.05,640 0.17,641 -0.027,642 -0.367,643 0.046,644 -0.292,645 -0.101,646 -0.358,647 -0.174,648 0.08,649 -0.052,650 0.127,651 0.049,652 0.1,653 0.084,654 -0.379,655 0.16,656 -0.28,657 -0.031,658 -0.381,659 -0.126,660 0.163,661 -0.119,662 0.089,663 -0.036,664 0.115,665 0.01,666 0.876,667 2.421,668 0.895,669 9.745,670 0.986,671 1.122,672 2.871,673 8.244,674 0.676,675 3.135,676 3.526,677 3.871,678 4.248,679 4.554,680 4.727,681 4.883,682 5.056,683 5.094,684 5.106,685 4.067,686 0.632,687 251.36,688 3.135,689 4.71,690 5.602,691 6.526,692 7.434,693 8.365,694 9.278,695 10.212,696 11.128,697 12.062,698 8.3,702 1,708 2,714 2,715 3,716 2,720 3,722 11,733 1,741 36,743 12,745 22,747 39,748 16,749 8,756 4,757 10,763 1,767 3,768 2,770 3,772 10,773 6,774 2,777 1,784 1,786 1,790 1,793 17,794 3,795 2,796 3,802 3,808 0.25,822 2,829 4,831 1,833 2,835 1,849 1,850 1,859 1,864 1,868 19,869 1,876 3,880 2,901 9.167,902 6.733,903 3.972,904 2.3,907 2.752,908 1.375,909 1.045,910 2.273,911 10.096,912 3.384,913 4.052,914 4.687,915 5.335,916 5.948,917 6.343,918 6.777,919 7.207,920 7.583,921 7.692,922 0.8,923 35,924 7.047,926 3.125,927 0.026,929 7.456,931 14.019,933 12.557,936 1.956,937 37.167,938 0.003,941 176.567,942 70.078,943 66.468,948 70.078,949 176.567,950 66.468,951 8.825,952 7.604,953 61.326,954 45.342,955 25.22,957 164.795,959 176.567,960 136.546,964 178.282,968 28.233,969 63.551,970 43.047,972 176.567,973 66.468,974 70.078,977 176.567,978 23.777,979 46.301,981 66.468,982 176.567,983 66.468,984 70.078,986 0.597,987 0.358,988 0.214,989 0.121,990 20,991 8,994 4,995 1.412,996 3.087,997 158.559,998 0.471,999 16,1000 80.711,1005 11.129,1006 3.881,1007 1.617,1008 1.798,1009 66.468,1010 5.752,1011 9.116,1015 3.379,1017 32.897,1018 313.113,1019 28.5,1026 2.417,1028 1.498,1031 35.491,1032 40.401,1034 0.257,1035 0.699,1036 0.888,1037 0.931,1038 0.931,1039 0.931,1040 4.661,1041 1.002,1042 5.617,1043 3.075,1044 4.205,1045 4.736,1046 0.655,1047 6.5,1048 4.166,1049 5.892,1050 0.14,1051 7.213,1052 2.603,1053 3.892,1054 4.663,1056 7.486,1057 3.843,1058 7.227,1060 8.907,1061 0.409,1062 5.861,1063 7.007,1064 0.356,1065 10.657,1066 5.791,1067 8.595,1068 -0.371,1069 10.659,1071 6.33,1072 7.756,1074 12.469,1075 6.248,1076 9.995,1077 -0.548,1078 12.449,1079 -0.967,1080 7.808,1081 9.608,1082 0.18,1083 15.171,1084 7.709,1085 11.419,1086 -0.857,1087 14.265,1088 -1.447,1089 8.658,1090 10.76,1092 17.347,1093 8.545,1094 12.862,1095 -0.914,1096 16.102,1097 -2.076,1098 9.942,1099 12.41,1100 0.087,1101 19.884,1102 9.813,1103 3.297,1104 -1.166,1105 17.954,1106 -2.707,1107 10.973,1108 13.758,1110 22.219,1111 10.829,1112 2.806,1113 11.678,1114 19.821,1115 -3.264,1116 12.184,1117 15.325,1118 0.041,1119 24.698,1120 12.024,1121 2.357,1122 9.208,1123 21.697,1124 4.567,1125 13.298,1126 16.765,1128 27.1,1129 13.122,1130 2.197,1131 7.303,1132 23.583,1133 3.553,1134 14.485,1135 18.3,1136 0.019,1137 29.561,1138 14.292,1139 1.854,1140 6.733,1141 25.477,1142 3.072,1143 15.637,1144 19.781,1146 31.992,1147 15.428,1148 1.716,1149 5.516,1150 27.376,1151 2.858,1152 16.818,1153 21.304,1154 0.009,1155 34.448,1156 16.593,1157 1.4,1158 4.896,1159 29.281,1160 2.177,1161 17.988,1162 22.805,1164 36.892,1165 17.746,1166 2903,1167 4194,1168 15.027,1169 24.347,1170 34.022,1171 33.887,1172 34.916,1173 33.563,1174 33.539,1175 43.357,1176 1.36,1177 102.841,1178 32.841,1179 5.617,1180 5.488,1181 6.619,1182 5.331,1183 5.297,1184 7.567,1185 1.36,1186 19.247,1187 5.244,1188 7.007,1189 1.546,1190 1.54,1191 1.587,1192 1.526,1193 1.525,1194 1.971,1195 0.062,1196 4.675,1197 1.493,1198 4.123,1199 4.157,1200 4.083,1201 4.041,1202 5.174,1203 4.046,1204 3.857,1205 3.899,1206 3.776,1207 3.772,1208 4.865,1209 3.769,1210 3.456,1211 3.511,1212 3.359,1213 3.354,1214 4.523,1215 3.348,1216 3.26,1217 3.338,1218 3.121,1219 3.114,1220 4.288,1221 3.103,1222 3.136,1223 3.217,1224 2.969,1225 2.981,1226 3.88,1227 2.967,1228 2.958,1229 3.057,1230 2.817,1231 2.718,1232 3.744,1233 2.736,1234 2.688,1235 2.784,1236 2.535,1237 2.547,1238 3.548,1239 2.541,1240 2.66,1241 2.777,1242 2.445,1243 2.427,1244 3.324,1245 2.385,1246 0.212,1247 0.159,1248 0.315,1249 0.195,1250 0.15,1251 4.664,1252 0.208,1253 3.488,1254 0.031,1255 6.938,1256 0.531,1257 4.281,1258 0.147,1259 3.297,1260 4.567,1261 0.68,1262 11.678,1263 3.244,1264 2.078,1265 2.049,1266 2.179,1267 2.179,1268 1.529,1269 2.178,1270 1.853,1271 1.816,1272 1.974,1273 1.967,1274 1.093,1275 1.976,1276 1.46,1277 1.41,1278 1.694,1279 1.611,1280 0.915,1281 1.64,1282 1.257,1283 1.193,1284 1.497,1285 1.466,1286 0.76,1287 1.478,1288 1.152,1289 1.076,1290 1.447,1291 1.361,1292 0.574,1293 1.401,1294 0.891,1295 0.804,1296 1.201,1297 1.199,1298 0.374,1299 1.203,1300 0.713,1301 0.624,1302 1.131,1303 0.997,1304 0.2,1305 1.058,1306 0.69,1307 0.593,1308 0.975,1309 0.924,1311 0.938,1312 3.807,1314 5.176,1316 6.765,1318 8.463,1320 10.218,1322 2.233,1326 6.421,1328 3.364,1332 1.19,1340 22.752,1341 47.876,1342 130.064,1343 165.362,1344 173.362,1345 173.362,1346 173.362,1347 22.403,1348 7.344,1349 51.8,1350 51.8,1351 24,1352 12.565,1353 3.7,1354 2.907,1355 24.216,1356 48,1357 42,1358 0.27,1359 137.493,1360 231.28,1361 327.243,1362 13686,1364 12.983,1365 0.683,1366 0.582,1367 12.983,1368 11.057,1369 9.22,1370 0.419,1371 0.315,1372 6.883,1373 9.058,1374 6.674,1375 5.507,1376 9.22,1377 6.924,1378 8.815,1379 0.267,1380 0.178,1381 8.815,1382 5.874,1383 7.657,1384 0.163,1385 0.095,1386 7.657,1387 4.458,1388 7.287,1389 0.106,1390 0.055,1391 7.287,1392 3.782,1393 6.019,1394 0.064,1395 0.03,1396 6.019,1397 2.785,1398 0.395,1399 56.473,1400 0.258,1401 18.186,1402 0.837,1403 110,1404 230.602,1405 114.857,1406 235.163,1407 338.26,1408 222,1409 135,1410 264.127,1411 140.329,1412 272.762,1413 404.59,1414 258,1415 6.092}
{0 CHEMBL575614,1 1.312,2 7.5,3 2.686,4 7.212,5 81.477,6 6.805,7 0.478,8 3.761,9 3.894,10 3.276,11 3.37,12 4.743,13 3.32,14 4.339,15 4.521,16 3.673,17 3.833,18 5.211,19 3.754,20 4.658,21 4.877,22 3.797,23 4.031,24 5.507,25 3.921,26 4.734,27 4.981,28 3.705,29 3.995,30 5.576,31 3.86,32 4.711,33 4.983,34 3.47,35 3.885,36 5.524,37 3.721,38 4.6,39 4.908,40 3.19,41 3.7,42 5.274,43 3.495,44 4.289,45 4.593,46 2.86,47 3.356,48 5.06,49 3.156,50 3.916,51 4.249,52 2.274,53 2.887,54 4.662,55 2.668,56 0.045,57 0.582,58 8.815,59 3.689,60 7.86,61 5.222,62 0.081,63 0.989,64 16.306,65 6.801,66 10.86,67 9.716,68 0.155,69 1.314,70 23.11,71 9.242,72 19.532,73 13.362,74 0.182,75 1.378,76 25.465,77 9.688,78 25.391,79 14.238,80 0.243,81 1.313,82 25.482,83 8.937,84 31.062,85 13.362,86 0.15,87 1.091,88 23.004,89 8.843,90 20.488,91 13.088,92 0.131,93 0.814,94 16.896,95 5.995,96 20.21,97 9.034,98 0.129,99 0.545,100 11.92,101 3.73,102 16.976,103 5.789,104 6,105 34,106 0.234,107 0.629,108 0.814,109 0.876,110 0.876,111 0.876,112 3.061,113 0.975,114 -3.53,115 -3.51,116 -3.35,121 43.6,122 1,123 4,124 2,137 1,138 1,144 1,145 2,146 1,147 2,148 2,165 1,166 1,167 1,176 11,180 4,185 2,187 15,189 2,191 1,192 4,197 2,200 13,203 2,206 3,208 1,209 1,211 3,214 11,216 3,219 3,221 1,222 1,224 2,227 8,229 2,232 3,237 2,239 4,241 2,244 4,249 1,251 3,253 1,256 1,264 1,269 1,281 394,282 13.834,283 13.834,284 13.834,285 13.834,286 13.834,287 12.287,288 13.092,289 7.957,290 13.964,291 11.327,292 11.327,293 11.327,294 11.327,295 11.327,296 8.901,297 12.616,298 3.737,299 11.544,300 3.973,301 1.766,302 0.725,303 0.378,304 0.378,305 0.378,306 3.763,310 1,311 1,312 1,313 336,314 2.236,318 122.068,320 39.904,322 100.408,324 59.448,325 1.15,326 12.424,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 41.5,338 150,339 4.664,340 3.492,341 6.938,342 4.284,343 3.298,344 4.567,345 0.68,346 11.68,347 3.252,348 4.119,349 3.017,350 6.219,351 3.81,352 2.818,353 3.556,355 9.23,356 2.794,357 3.793,358 2.657,359 5.586,360 3.39,361 2.398,362 3.122,364 7.526,365 2.378,366 3.499,367 2.496,368 5.378,369 3.195,370 2.216,371 2.861,373 6.818,374 2.171,375 3.049,376 2.1,377 4.98,378 2.864,379 1.887,380 2.187,382 5.641,383 1.84,384 3.001,385 1.903,386 4.871,387 2.74,388 1.76,389 2.061,391 5.241,392 1.722,393 2.835,394 1.423,395 3.911,396 2.352,397 1.403,398 1.909,400 3.075,401 1.328,402 2.407,403 1.081,404 3.647,405 1.966,406 1.003,407 1.371,409 2.603,410 0.963,411 1.58,412 0.652,413 3.233,414 1.436,415 0.436,416 0.461,418 0.641,419 0.436,420 1.342,421 0.469,422 2.951,423 1.125,424 0.14,425 0.158,427 0.409,428 0.138,429 1.324,430 0.122,431 2.814,432 0.942,438 0.853,439 -0.423,440 2.542,441 0.507,442 -0.468,443 -0.562,445 -1.267,446 -0.455,447 0.575,448 -0.542,449 2.403,450 0.251,451 -0.74,452 -0.836,454 -1.842,455 -0.733,456 0.33,457 -0.655,458 2,459 0.103,460 -0.865,461 -1.04,463 -2.12,464 -0.831,465 0.325,466 -0.834,467 1.972,468 0.035,469 -0.941,470 -1.228,472 -2.718,473 -0.921,474 9.7,475 0.485,476 0.5,477 0.025,478 24.25,479 1.213,480 11.5,481 0.575,482 12.75,483 0.638,484 17.942,485 0.897,486 20.9,487 0.536,488 13.858,489 0.693,490 4.069,491 0.203,492 5.69,493 0.284,494 0.093,496 0.412,501 0.969,502 1.107,503 0.871,504 0.963,505 1.055,506 0.919,507 0.775,508 1.091,509 0.858,510 0.995,511 0.637,512 0.945,513 0.799,514 1.094,515 0.957,516 1.065,517 0.775,518 1.032,519 0.89,520 1.173,521 1.017,522 1.126,523 0.934,524 1.09,525 1.358,526 0.946,527 1.176,528 1.016,529 1.466,530 1.069,531 0.718,532 0.9,533 0.901,534 0.947,535 0.739,536 0.941,537 1.107,538 1.004,539 1.049,540 1.012,541 1.134,542 1.024,543 1.715,544 0.663,545 1.128,546 0.749,547 1.579,548 0.864,549 4,550 0.012,551 1.778,552 2,553 1.471,554 0.771,555 0.323,556 0.158,557 0.057,558 0.026,559 3549,560 6955,561 2.195,562 48.7,563 11,564 2,566 2,567 2,568 2,572 1.623,573 2.069,574 2.896,575 0.262,577 1,579 1,582 51.178,583 1.312,584 3.52,585 4.561,586 4.907,587 4.907,588 4.907,589 2.409,590 3.309,591 4.295,592 2.948,593 560.125,594 7.365,595 5354.36,596 1,597 1,598 1,599 1,600 206.131,601 1.361,602 4.262,603 0.174,604 0.012,605 0.052,606 0.054,607 0.046,608 0.032,609 0.018,610 0.013,611 0.01,612 0.009,613 0.42,614 1,615 1,616 0.764,617 85.361,618 -0.054,619 0.044,620 0.058,621 0.08,622 -0.047,623 0.079,624 0.025,625 -0.028,626 0.078,627 0.039,628 0.086,629 0.059,630 0.079,631 -0.073,632 -0.005,633 -0.06,634 0.054,635 -0.043,636 0.079,637 -0.183,638 -0.049,639 -0.148,640 0.097,641 -0.116,642 -0.163,643 0.049,644 -0.186,645 -0.075,646 -0.178,647 -0.123,648 0.047,649 -0.024,650 0.074,651 0.032,652 0.033,653 0.051,654 -0.069,655 -0.085,656 -0.057,657 -0.068,658 -0.075,659 -0.063,660 -0.329,661 0.274,662 -0.1,663 0.143,664 -0.302,665 0.059,666 0.77,667 2.475,668 0.85,669 11.67,670 0.984,671 1.124,672 2.303,673 5.302,674 0.669,675 3.178,676 3.555,677 3.912,678 4.277,679 4.595,680 4.771,681 4.956,682 5.118,683 5.204,684 5.198,685 4.333,686 0.623,687 265.39,688 3.178,689 4.745,690 5.638,691 6.558,692 7.468,693 8.396,694 9.311,695 10.243,696 11.161,697 12.094,698 7.7,702 1,708 2,714 2,715 3,716 2,720 3,722 11,733 1,741 39,743 12,745 23,747 42,748 17,749 8,756 4,757 10,763 1,767 3,768 2,770 4,772 10,773 7,774 2,777 1,784 1,786 1,789 1,790 1,793 19,794 3,795 2,796 3,802 3,808 0.25,822 2,829 4,831 1,833 2,835 1,849 1,850 1,859 1,864 1,868 20,869 1,876 4,880 2,901 9.667,902 7.233,903 4.306,904 2.664,907 2.758,908 1.37,909 1.034,910 2.645,911 10.212,912 3.418,913 4.069,914 4.714,915 5.349,916 5.963,917 6.357,918 6.799,919 7.229,920 7.622,921 7.745,922 1,923 37,924 7.424,926 3.264,927 0.026,929 7.433,931 14.836,933 13.228,936 1.933,937 38.667,938 0.002,941 200.109,942 72.612,943 66.468,948 72.612,949 200.109,950 66.468,951 8.825,952 10.138,953 51.85,954 57.113,955 34.697,957 176.567,959 200.109,960 139.081,964 200.109,968 41.959,969 54.074,970 43.047,972 200.109,973 66.468,974 72.612,977 200.109,978 26.74,979 45.873,981 66.468,982 200.109,983 66.468,984 72.612,986 0.589,987 0.362,988 0.212,989 0.122,990 20,991 8,992 0.024,993 1,994 4,995 1.412,996 3.18,997 168.769,998 0.471,999 16,1000 86.439,1005 12.047,1006 4.391,1007 1.81,1008 1.994,1009 66.468,1010 5.615,1011 9.009,1015 3.461,1017 32.897,1018 339.189,1019 29.5,1026 2.477,1028 1.589,1031 38.374,1032 43.817,1034 0.248,1035 0.666,1036 0.863,1037 0.928,1038 0.928,1039 0.928,1040 4.689,1041 1.003,1042 5.645,1043 3.075,1044 4.234,1045 4.754,1046 0.655,1047 6.526,1048 4.199,1049 5.911,1050 0.436,1051 7.241,1052 2.603,1053 3.892,1054 4.663,1056 7.516,1057 3.854,1058 7.244,1059 0.14,1060 8.934,1061 0.641,1062 5.889,1063 7.02,1064 0.356,1065 10.681,1066 5.83,1067 8.611,1069 10.685,1070 0.409,1071 6.347,1072 7.765,1074 12.491,1075 6.285,1076 10.011,1077 -0.468,1078 12.474,1080 7.833,1081 9.617,1082 0.18,1083 15.187,1084 7.752,1085 11.435,1086 -0.74,1087 14.289,1088 -1.267,1089 8.677,1090 10.767,1092 17.361,1093 8.587,1094 12.878,1095 -0.865,1096 16.124,1097 -1.842,1098 9.963,1099 12.416,1100 0.087,1101 19.895,1102 9.857,1103 3.298,1104 -0.941,1105 17.975,1106 -2.12,1107 10.99,1108 13.763,1110 22.228,1111 10.873,1112 2.818,1113 11.68,1114 19.839,1115 -2.718,1116 12.201,1117 15.329,1118 0.041,1119 24.706,1120 12.068,1121 2.398,1122 9.23,1123 21.714,1124 4.567,1125 13.313,1126 16.768,1128 27.107,1129 13.166,1130 2.216,1131 7.526,1132 23.598,1133 3.556,1134 14.499,1135 18.302,1136 0.019,1137 29.567,1138 14.337,1139 1.887,1140 6.818,1141 25.49,1142 3.122,1143 15.65,1144 19.783,1146 31.998,1147 15.474,1148 1.76,1149 5.641,1150 27.388,1151 2.861,1152 16.831,1153 21.305,1154 0.009,1155 34.453,1156 16.639,1157 1.403,1158 5.241,1159 29.291,1160 2.187,1161 18,1162 22.806,1164 36.897,1165 17.793,1166 3360,1167 4804,1168 15.72,1169 26.108,1170 35.008,1171 35.275,1172 36.308,1173 34.757,1174 34.717,1175 44.506,1176 1.36,1177 105.729,1178 34.043,1179 5.619,1180 5.492,1181 6.619,1182 5.331,1183 5.298,1184 7.567,1185 1.36,1186 19.25,1187 5.252,1188 7.431,1189 1.522,1190 1.534,1191 1.579,1192 1.511,1193 1.509,1194 1.935,1195 0.059,1196 4.597,1197 1.48,1198 4.128,1199 4.161,1200 4.087,1201 4.05,1202 5.164,1203 4.055,1204 3.867,1205 3.907,1206 3.786,1207 3.784,1208 4.859,1209 3.78,1210 3.518,1211 3.583,1212 3.396,1213 3.399,1214 4.54,1215 3.389,1216 3.278,1217 3.356,1218 3.147,1219 3.118,1220 4.332,1221 3.116,1222 3.212,1223 3.29,1224 3.055,1225 3.055,1226 3.937,1227 3.042,1228 2.986,1229 3.073,1230 2.836,1231 2.81,1232 3.766,1233 2.808,1234 2.901,1235 2.991,1236 2.695,1237 2.728,1238 3.548,1239 2.71,1240 2.738,1241 2.835,1242 2.529,1243 2.557,1244 3.528,1245 2.54,1246 0.203,1247 0.152,1248 0.302,1249 0.186,1250 0.143,1251 4.664,1252 0.199,1253 3.492,1254 0.03,1255 6.938,1256 0.508,1257 4.284,1258 0.141,1259 3.298,1260 4.567,1261 0.68,1262 11.68,1263 3.252,1264 2.084,1265 2.056,1266 2.184,1267 2.181,1268 1.538,1269 2.182,1270 1.863,1271 1.827,1272 1.985,1273 1.975,1274 1.136,1275 1.985,1276 1.531,1277 1.471,1278 1.8,1279 1.702,1280 1.016,1281 1.739,1282 1.25,1283 1.19,1284 1.52,1285 1.473,1286 0.848,1287 1.47,1288 1.224,1289 1.15,1290 1.438,1291 1.423,1292 0.54,1293 1.458,1294 0.96,1295 0.889,1296 1.278,1297 1.209,1298 0.502,1299 1.22,1300 0.924,1301 0.837,1302 1.21,1303 1.151,1304 0.195,1305 1.2,1306 0.753,1307 0.664,1308 1.102,1309 0.995,1310 0.178,1311 1.037,1312 3.85,1314 5.209,1316 6.795,1318 8.489,1320 10.242,1322 2.251,1326 6.475,1328 4.582,1332 1.214,1340 24.279,1341 51.178,1342 137.27,1343 177.866,1344 191.376,1345 191.376,1346 191.376,1347 24.432,1348 7.454,1349 51.8,1350 51.8,1351 24,1352 12.596,1353 3.7,1354 2.907,1355 26.008,1356 53,1357 56,1358 0.259,1359 147.085,1360 248.58,1361 350.648,1362 15667,1364 13.69,1365 0.684,1366 0.588,1367 13.69,1368 11.764,1369 9.758,1370 0.424,1371 0.325,1372 7.433,1373 9.59,1374 7.227,1375 5.964,1376 9.758,1377 7.474,1378 8.984,1379 0.264,1380 0.178,1381 8.984,1382 6.058,1383 8.097,1384 0.165,1385 0.099,1386 8.097,1387 4.832,1388 7.434,1389 0.105,1390 0.055,1391 7.434,1392 3.928,1393 6.338,1394 0.065,1395 0.031,1396 6.338,1397 3.041,1398 0.382,1399 59.747,1400 0.252,1401 19.153,1402 0.79,1403 114,1404 234.602,1405 118.468,1406 238.912,1407 343.92,1408 226,1409 140,1410 267.775,1411 145.024,1412 276.096,1413 409.38,1414 262,1415 6.178}
{0 CHEMBL575619,1 1.536,2 6.235,3 3.144,4 9.883,5 69.385,6 7.039,7 0.333,8 3.648,9 3.758,10 3.396,11 3.245,12 4.529,13 3.149,14 4.261,15 4.443,16 3.689,17 3.647,18 5.421,19 3.527,20 4.577,21 4.803,22 3.848,23 3.864,24 5.503,25 3.697,26 4.703,27 4.913,28 3.748,29 3.856,30 5.855,31 3.699,32 4.691,33 4.925,34 3.299,35 3.673,36 5.866,37 3.529,38 4.376,39 4.66,40 2.842,41 3.477,42 5.193,43 3.261,44 4.16,45 4.476,46 2.338,47 3.217,48 4.759,49 2.927,50 3.782,51 4.16,52 1.352,53 2.594,54 4.22,55 2.205,56 0.077,57 0.524,58 11.667,59 4.041,60 12.524,61 5.144,62 0.285,63 0.87,64 18.248,65 6.776,66 44.475,67 8.815,68 0.196,69 1.15,70 29.543,71 9.773,72 34.465,73 11.877,74 0.331,75 1.183,76 37.254,77 11.301,78 68.397,79 12.799,80 0.534,81 1.012,82 29.525,83 8.912,84 104.236,85 11.247,86 0.194,87 0.798,88 18.79,89 7.192,90 39.268,91 10.104,92 0.078,93 0.641,94 14.971,95 6.062,96 17.905,97 8.711,98 0.077,99 0.39,100 10.879,101 3.899,102 14.487,103 5.689,104 17,105 26,106 0.285,107 0.509,108 0.653,109 0.72,110 0.735,111 0.735,112 2.91,113 1.26,114 -3.41,115 -3.4,116 -3.25,121 36.1,122 2,123 3,129 2,144 5,146 1,176 6,179 3,180 4,187 7,192 7,200 4,206 14,214 3,219 5,227 8,239 10,251 6,264 1,281 302,282 11.015,283 11.015,284 11.015,285 11.015,286 11.015,287 10.024,288 12.332,289 6.446,290 11.234,291 8.847,292 8.847,293 8.847,294 8.847,295 8.847,296 7.341,297 20.412,298 2.996,299 9.22,300 3.634,301 2.424,302 1.65,303 1.285,304 1.209,305 1.209,306 3.551,311 1,312 1,313 218,314 2.828,318 109.363,325 0.955,326 22.136,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 36.5,338 106,339 4.958,340 4.734,341 7.78,342 4.504,343 3.576,344 4.767,345 0.4,346 14.187,347 3.296,348 3.789,349 3.037,350 6.2,351 3.589,352 2.643,353 3.131,355 8.579,356 2.488,357 3.451,358 1.979,359 4.87,360 2.975,361 1.976,362 2.638,364 5.113,365 1.974,366 2.879,367 1.96,368 4.841,369 2.861,370 1.879,371 1.879,373 5.104,374 1.844,375 2.697,376 1.471,377 3.908,378 2.309,379 1.328,380 1.763,382 3.034,383 1.297,384 2.5,385 1.134,386 3.532,387 2.083,388 1.09,389 1.5,391 2.557,392 1.081,393 2.281,394 1,395 3.247,396 2,397 1,398 1.254,400 2.136,401 1,402 1,403 0.187,404 2.958,405 0.877,406 -0.105,407 -0.112,409 -0.274,410 -0.103,411 1,412 -0.148,413 2.508,414 0.648,415 -0.347,416 -0.347,418 -0.757,419 -0.345,420 0.733,421 -0.322,422 2.352,423 0.228,424 -0.731,425 -1.035,427 -1.646,428 -0.682,429 0.653,430 -1,431 2,433 -1,434 -1.247,436 -2.347,437 -1,438 0.5,439 -1,440 2,442 -1,443 -1.5,445 -3,446 -1,447 -0.222,448 -1.135,449 1.555,450 -0.242,451 -1.242,452 -1.532,454 -3.138,455 -1.242,456 -0.342,457 -1.242,458 1.353,459 -0.572,460 -1.532,461 -1.929,463 -3.788,464 -1.456,465 -0.5,466 -1.328,467 1.188,468 -0.694,469 -1.629,470 -2,472 -4.789,473 -1.457,474 8.4,475 0.494,476 0.554,477 0.033,478 19,479 1.118,480 9,481 0.529,482 10,483 0.588,484 15.212,485 0.895,486 19.8,487 0.55,488 11.934,489 0.702,490 3.133,491 0.184,492 4.899,493 0.288,494 0.198,495 0.099,496 0.226,501 0.39,502 1.476,503 0.909,504 1.39,505 0.639,506 1.134,507 0.514,508 1.183,509 0.807,510 0.968,511 0.482,512 1.011,513 0.96,514 1.06,515 1.181,516 1.11,517 0.714,518 0.956,519 1.616,520 1.204,521 1.665,522 1.461,523 1.541,524 1.09,525 2.313,526 0.796,527 1.155,528 0.801,529 2.485,530 0.964,531 0.738,532 0.843,533 0.706,534 0.774,535 0.795,536 1.019,537 0.107,538 1.012,539 0.64,540 0.928,541 0.126,542 1.147,543 0.082,544 0.771,545 0.488,546 0.706,547 0.096,548 0.873,549 4,551 2.889,552 2.375,553 1.04,554 0.486,555 0.122,556 0.104,559 1930,560 4453,561 1.947,562 52.8,563 2,564 7,569 10,572 1.578,573 1.774,574 2.641,575 -0.75,577 1,578 1,579 1,582 55.301,583 1.536,584 2.746,585 3.52,586 3.885,587 3.961,588 3.961,589 2.116,590 3.382,591 4.063,592 2.721,593 370.049,594 6.91,595 3275.13,596 1,597 1,599 1,600 186.117,601 1.735,602 3.975,603 0.222,605 0.111,606 0.085,607 0.039,608 0.027,609 0.01,610 0.017,613 0.511,614 1,615 1,616 0.732,617 68.064,618 0.207,619 -0.196,620 0.286,621 -0.099,622 -0.137,623 0.009,624 0.389,625 -0.044,626 0.154,627 0.049,628 0.291,629 0.001,630 -0.038,631 0.063,632 0.06,633 0.041,634 0.047,635 0.051,636 -0.152,637 -0.151,638 -0.238,639 -0.223,640 0.001,641 -0.095,642 -0.426,643 0.075,644 -0.268,645 0.027,646 -0.361,647 -0.088,648 -0.08,649 0.021,650 -0.071,651 0.003,652 -0.105,653 -0.065,654 0.092,655 -0.173,656 -0.034,657 -0.145,658 0.028,659 -0.17,660 0.161,661 -0.037,662 0.154,663 0.024,664 0.079,665 0.053,666 4.244,667 5.534,668 0.706,669 8.457,670 0.994,671 1.127,672 2.185,673 4.773,674 0.65,675 2.944,676 3.296,677 3.555,678 3.784,679 3.807,680 3.638,681 3.555,682 3.434,683 3.219,684 2.833,685 3.879,686 0.594,687 253.4,688 2.944,689 4.489,690 5.342,691 6.244,692 7.117,693 8.027,694 8.907,695 9.82,696 10.703,697 11.618,698 2.8,701 1,715 5,720 1,722 6,741 36,743 8,744 1,745 18,747 37,748 13,749 6,750 1,751 5,756 2,757 2,763 2,767 5,770 5,772 6,773 7,777 2,780 1,782 2,790 1,793 19,794 3,796 4,797 1,802 1,808 1,809 2,829 2,859 2,862 1,864 2,868 17,872 1,876 3,880 2,881 1,893 5.6,896 2,901 9.583,902 6.783,903 3.722,904 2.375,907 1.137,908 1.194,909 0.939,910 3.55,911 6.989,912 3.178,913 3.75,914 4.171,915 4.601,916 4.894,917 4.798,918 5.019,919 4.704,920 4.705,921 4.306,922 1,923 28,924 6.544,926 2.973,927 0.026,929 7.838,931 12.413,933 10.63,936 2.338,937 39.75,938 0.003,941 223.651,942 79.993,943 1.519,945 44.313,947 5.807,948 74.186,949 267.964,950 1.519,951 17.65,952 7.604,953 53.189,954 44.313,955 3.069,957 223.651,959 223.651,960 75.705,961 44.313,962 5.807,964 105.94,965 162.024,968 26.773,969 48.932,970 5.807,972 223.651,973 45.832,974 79.993,976 5.807,977 223.651,978 9.154,979 66.55,981 44.313,982 223.651,983 45.832,984 79.993,986 0.592,987 0.357,988 0.196,989 0.089,990 13,991 6,992 0.054,993 2,995 1,996 2.757,997 119.502,999 12,1000 57.487,1004 1,1005 12.596,1006 4.791,1007 2.381,1009 45.832,1010 8.715,1015 0.403,1018 349.476,1019 23,1022 -3.327,1024 25.068,1031 35.785,1032 40.574,1034 0.297,1035 0.531,1036 0.681,1037 0.751,1038 0.766,1039 0.766,1040 4.437,1041 -0.105,1042 5.398,1043 2.136,1044 3.97,1045 4.431,1046 0.278,1047 6.333,1048 3.88,1049 5.671,1050 -0.347,1051 7.054,1052 -0.274,1053 3.892,1054 4.649,1056 7.816,1057 3.675,1058 7.043,1059 -0.731,1060 8.846,1061 -0.757,1062 5.733,1063 6.754,1064 0.05,1065 10.942,1066 5.491,1067 8.47,1068 -1,1069 10.722,1070 -1.646,1071 6.494,1072 7.837,1074 13.241,1075 6.106,1076 9.945,1077 -1,1078 12.653,1079 -2.347,1080 7.923,1081 9.558,1082 0.008,1083 16.022,1084 7.495,1085 11.455,1086 -1.242,1087 14.619,1088 -3,1089 9.011,1090 10.952,1092 18.565,1093 8.455,1094 12.989,1095 -1.532,1096 16.608,1097 -3.138,1098 10.319,1099 12.565,1100 0.001,1101 21.255,1102 9.704,1103 3.576,1104 -1.629,1105 18.614,1106 -3.788,1107 11.526,1108 14.065,1110 23.872,1111 10.803,1112 2.643,1113 14.187,1114 20.631,1115 -4.789,1116 12.803,1117 15.645,1119 26.536,1120 12.008,1121 1.976,1122 8.579,1123 22.657,1124 4.767,1125 14.051,1126 17.183,1128 29.176,1129 13.162,1130 1.879,1131 5.113,1132 24.689,1133 3.131,1134 15.322,1135 18.751,1137 31.832,1138 14.355,1139 1.328,1140 5.104,1141 26.725,1142 2.638,1143 16.585,1144 20.304,1146 34.481,1147 15.531,1148 1.09,1149 3.034,1150 28.765,1151 1.879,1152 17.856,1153 21.868,1155 37.134,1156 16.721,1157 1,1158 2.557,1159 30.808,1160 1.763,1161 19.126,1162 23.426,1164 39.785,1165 17.906,1166 2022,1167 3201,1168 11.326,1169 23.415,1170 27.223,1171 27.713,1172 28.449,1173 27.03,1174 26.984,1175 33.865,1176 0.8,1177 81.419,1178 25.958,1179 5.958,1180 6.734,1181 7.582,1182 5.54,1183 5.576,1184 7.767,1185 0.8,1186 22.567,1187 5.296,1188 8.76,1189 1.512,1190 1.54,1191 1.581,1192 1.502,1193 1.499,1194 1.881,1195 0.044,1196 4.523,1197 1.442,1198 4.106,1199 4.096,1200 4.743,1201 4.083,1202 7.715,1203 3.995,1204 3.818,1205 3.867,1206 3.709,1207 3.714,1208 6.999,1209 3.705,1210 3.534,1211 3.513,1212 3.618,1213 3.462,1214 4.717,1215 3.376,1216 3.367,1217 3.452,1218 3.151,1219 3.217,1220 4.336,1221 3.19,1222 3.138,1223 3.231,1224 2.9,1225 2.948,1226 3.903,1227 2.916,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 2.679,1235 2.81,1236 2.5,1237 2.481,1238 3.661,1239 2.46,1240 2.628,1241 2.697,1242 2.32,1243 2.433,1244 3.534,1245 2.387,1246 0.275,1247 0.263,1248 0.432,1249 0.25,1250 0.199,1251 4.958,1252 0.265,1253 4.734,1254 0.022,1255 7.78,1256 0.788,1257 4.504,1258 0.183,1259 3.576,1260 4.767,1261 0.4,1262 14.187,1263 3.296,1264 1.986,1265 1.988,1266 2.072,1267 2.087,1268 1.456,1269 2.123,1270 1.827,1271 1.777,1272 1.988,1273 1.946,1274 1.139,1275 1.973,1276 1.405,1277 1.407,1278 1.733,1279 1.606,1280 0.97,1281 1.655,1282 1.38,1283 1.325,1284 1.578,1285 1.536,1286 0.797,1287 1.588,1288 1.157,1289 1.073,1290 1.209,1291 1.384,1292 0.516,1293 1.444,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.398,1299 1.107,1300 0.737,1301 0.611,1302 1.14,1303 1.034,1304 0.218,1305 1.102,1306 0.614,1307 0.556,1308 0.933,1309 0.848,1310 0.112,1311 0.889,1312 3.611,1314 4.949,1316 6.512,1318 8.177,1320 9.892,1322 3.992,1328 3.024,1332 0.202,1333 1.672,1340 21.379,1341 55.301,1342 98.84,1343 126.733,1344 139.853,1345 142.608,1346 142.608,1347 38.198,1348 5.852,1349 37.38,1350 45.76,1351 12,1352 12.136,1353 3.17,1354 2.585,1355 28.106,1356 38,1357 38,1358 0.378,1359 137.82,1360 237.01,1361 328.04,1362 1920,1364 12.466,1365 0.733,1366 0.656,1367 12.716,1368 11.151,1369 8.032,1370 0.446,1371 0.42,1372 6.193,1373 7.071,1374 5.854,1375 4.906,1376 8.82,1377 7.558,1378 7.568,1379 0.291,1380 0.255,1381 8.849,1382 6.62,1383 6.062,1384 0.178,1385 0.164,1386 7.446,1387 5.574,1388 5.267,1389 0.122,1390 0.104,1391 6.694,1392 4.488,1393 3.324,1394 0.076,1395 0.064,1396 4.261,1397 2.801,1398 0.547,1399 57.555,1400 0.297,1401 16.564,1402 1.191,1403 88,1404 235.977,1405 135.276,1406 248.229,1407 334.99,1408 226,1409 104,1410 218.738,1411 162.181,1412 258.186,1413 378.3,1414 242,1415 6.407}
{0 CHEMBL575620,1 1.502,2 7,3 3.63,4 13.176,5 74.426,6 6.857,7 0.316,8 3.72,9 3.835,10 3.434,11 3.311,12 4.592,13 3.212,14 4.337,15 4.528,16 3.74,17 3.718,18 5.464,19 3.597,20 4.635,21 4.853,22 3.9,23 3.945,24 5.57,25 3.779,26 4.799,27 5.02,28 3.785,29 3.942,30 5.914,31 3.774,32 4.764,33 5.01,34 3.395,35 3.747,36 5.885,37 3.588,38 4.417,39 4.684,40 3.06,41 3.561,42 5.288,43 3.354,44 4.317,45 4.614,46 2.577,47 3.33,48 5.102,49 3.085,50 3.91,51 4.248,52 2.103,53 2.924,54 4.397,55 2.638,56 0.085,57 0.563,58 12.638,59 4.378,60 12.456,61 5.665,62 0.303,63 0.932,64 19.914,65 7.346,66 45.215,67 9.672,68 0.198,69 1.228,70 30.843,71 10.414,72 33.95,73 12.839,74 0.345,75 1.29,76 39.642,77 12.258,78 69.384,79 14.316,80 0.53,81 1.084,82 31.214,83 9.6,84 98.138,85 12.326,86 0.165,87 0.86,88 21.53,89 7.97,90 36.282,91 10.67,92 0.2,93 0.728,94 17.775,95 6.388,96 36.343,97 9.107,98 0.07,99 0.479,100 11.622,101 4.565,102 11.979,103 6.578,104 26,105 28,106 0.274,107 0.513,108 0.693,109 0.737,110 0.737,111 0.737,112 2.962,113 1.258,114 -3.68,115 -3.65,116 -3.47,121 35.9,122 3,123 3,129 2,144 4,145 1,146 1,176 7,179 3,180 4,187 9,192 7,200 6,206 14,214 3,219 5,227 8,232 3,239 10,251 6,264 5,277 1,281 360,282 11.463,283 11.463,284 11.463,285 11.463,286 11.463,287 10.447,288 14.757,289 6.532,290 11.681,291 9.313,292 9.313,293 9.313,294 9.313,295 9.313,296 7.746,297 21.883,298 3.035,299 9.687,300 3.783,301 2.468,302 1.481,303 1.238,304 1.238,305 1.238,306 3.603,310 1,311 1,312 1,313 258,314 2.915,318 118.103,325 1,326 22.587,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 38.5,338 126,339 4.959,340 4.734,341 7.78,342 4.505,343 3.577,344 4.769,345 0.4,346 14.188,347 3.297,348 3.9,349 3.04,350 6.202,351 3.621,352 2.666,353 3.421,355 8.592,356 2.544,357 3.646,358 2.546,359 5.114,360 3.333,361 2.344,362 2.739,364 6.21,365 2.306,366 3.044,367 1.96,368 4.841,369 2.861,370 1.879,371 2.217,373 5.104,374 1.844,375 2.879,376 1.704,377 4.718,378 2.603,379 1.609,380 1.879,382 4.579,383 1.596,384 2.5,385 1.279,386 3.825,387 2.179,388 1.195,389 1.5,391 2.824,392 1.173,393 2.285,394 1,395 3.414,396 2,397 1,398 1.264,400 2.275,401 1,402 1.12,403 0.451,404 3.052,405 0.902,406 -0.075,407 -0.08,409 -0.188,410 -0.073,411 1,412 -0.085,413 2.6,414 0.732,415 -0.253,416 -0.319,418 -0.579,419 -0.247,420 1,421 -0.322,422 2.352,423 0.648,424 -0.347,425 -0.347,427 -0.757,428 -0.345,429 0.653,430 -0.404,431 2,433 -1,434 -1.246,436 -3,437 -1,438 0.5,439 -1,440 2,442 -1,443 -1.5,445 -3,446 -1,447 -0.006,448 -1,449 2,450 -0.242,451 -1.238,452 -1.532,454 -3.065,455 -1.142,456 -0.229,457 -1.242,458 1.65,459 -0.288,460 -1.251,461 -1.534,463 -3.138,464 -1.242,465 -0.37,466 -1.326,467 1.353,468 -0.572,469 -1.532,470 -1.929,472 -3.788,473 -1.456,474 8.9,475 0.494,476 0.66,477 0.037,478 19.5,479 1.083,480 9,481 0.5,482 10.5,483 0.583,484 17.229,485 0.957,486 21.1,487 0.541,488 12.533,489 0.696,490 3.173,491 0.176,492 5.252,493 0.292,494 0.243,495 0.094,496 0.27,501 0.395,502 1.477,503 0.927,504 1.394,505 0.65,506 1.155,507 0.507,508 1.129,509 0.782,510 0.929,511 0.47,512 0.961,513 0.977,514 1.121,515 1.217,516 1.163,517 0.734,518 1.023,519 1.563,520 1.207,521 1.614,522 1.438,523 1.504,524 1.104,525 2.274,526 0.763,527 1.081,528 0.75,529 2.481,530 0.918,531 0.724,532 1.033,533 0.969,534 1.045,535 0.745,536 1.081,537 0.909,538 0.871,539 0.788,540 0.803,541 0.914,542 1.059,543 0.093,544 0.832,545 0.536,546 0.766,547 0.064,548 0.932,549 5,551 3.333,552 2.438,553 1.213,554 0.653,555 0.201,556 0.229,557 0.037,558 0.016,559 2279,560 4976,561 1.919,562 53.8,563 5,564 6,569 10,572 1.593,573 1.728,574 2.763,575 -0.763,577 1,579 1,582 58.589,583 1.502,584 2.818,585 3.804,586 4.048,587 4.048,588 4.048,589 2.213,590 3.17,591 4.143,592 2.865,593 438.328,594 7.063,595 4004.85,596 1,597 1,598 1,599 1,600 206.131,601 1.788,602 4.043,603 0.263,605 0.119,606 0.081,607 0.043,608 0.034,609 0.013,610 0.029,611 0.007,612 0.016,613 0.606,614 1,615 1,616 0.745,617 74.238,618 0.208,619 -0.184,620 0.28,621 -0.091,622 -0.144,623 0.01,624 0.4,625 0.011,626 0.192,627 0.097,628 0.302,629 0.065,630 -0.042,631 0.025,632 0.028,633 0.003,634 0.038,635 0.002,636 -0.128,637 -0.158,638 -0.219,639 -0.221,640 0.006,641 -0.105,642 -0.384,643 0.107,644 -0.185,645 0.082,646 -0.354,647 -0.037,648 -0.038,649 -0.101,650 -0.117,651 -0.111,652 -0.026,653 -0.09,654 -0.13,655 -0.007,656 -0.13,657 -0.044,658 -0.136,659 -0.136,660 0.116,661 -0.017,662 0.087,663 0.01,664 0.088,665 0.024,666 4.261,667 5.645,668 0.667,669 10,670 0.992,671 1.128,672 2.448,673 5.994,674 0.646,675 2.996,676 3.367,677 3.611,678 3.829,679 3.892,680 3.829,681 3.664,682 3.664,683 3.367,684 3.045,685 4.167,686 0.587,687 267.43,688 2.996,689 4.554,690 5.407,691 6.312,692 7.185,693 8.096,694 8.976,695 9.89,696 10.773,697 11.69,698 2.6,701 1,715 4,720 2,722 6,741 39,743 8,744 1,745 19,747 40,748 14,749 6,750 2,751 4,756 2,757 2,763 3,767 5,770 5,772 6,773 8,777 2,780 1,782 2,789 1,790 1,793 21,794 3,796 4,797 1,802 1,808 1,809 2,829 2,859 2,862 1,864 3,868 18,872 1,876 3,880 2,881 1,893 5.1,896 2,901 10.417,902 7.7,903 3.889,904 2.569,907 1.159,908 1.194,909 0.936,910 3.788,911 7.14,912 3.219,913 3.818,914 4.238,915 4.667,916 5.013,917 5.137,918 5.104,919 4.923,920 4.82,921 4.473,922 0.8,923 30,924 6.925,926 3.128,927 0.026,929 7.801,931 13.188,933 11.273,936 2.301,937 41.417,938 0.002,941 247.193,942 82.528,943 1.519,945 44.313,947 5.807,948 76.721,949 291.506,950 1.519,951 26.476,952 7.604,953 43.712,954 44.313,955 6.255,957 247.193,959 247.193,960 78.239,961 44.313,962 5.807,964 129.482,965 162.024,968 35.598,969 42.641,970 5.807,972 247.193,973 45.832,974 82.528,976 5.807,977 247.193,978 12.34,979 65.899,981 44.313,982 247.193,983 45.832,984 82.528,986 0.601,987 0.355,988 0.185,989 0.088,990 14,991 7,992 0.05,993 2,995 1,996 2.828,997 129.598,999 12,1000 63.059,1004 1,1005 13.572,1006 5.024,1007 2.626,1009 45.832,1010 7.121,1015 1.488,1018 375.553,1019 24,1022 -3.344,1024 25.291,1031 38.669,1032 43.989,1034 0.284,1035 0.533,1036 0.72,1037 0.766,1038 0.766,1039 0.766,1040 4.494,1041 -0.075,1042 5.476,1043 2.275,1044 4.043,1045 4.5,1046 0.278,1047 6.405,1048 3.959,1049 5.744,1050 -0.253,1051 7.132,1052 -0.188,1053 4.007,1054 4.771,1056 7.858,1057 3.817,1058 7.123,1059 -0.347,1060 8.916,1061 -0.579,1062 5.808,1063 6.834,1064 0.05,1065 10.97,1066 5.586,1067 8.55,1068 -1,1069 10.78,1070 -0.757,1071 6.567,1072 7.92,1074 13.252,1075 6.212,1076 10.021,1077 -1,1078 12.697,1079 -3,1080 7.975,1081 9.62,1082 0.008,1083 16.029,1084 7.574,1085 11.524,1086 -1.238,1087 14.651,1088 -3,1089 9.053,1090 11.005,1092 18.567,1093 8.527,1094 13.05,1095 -1.251,1096 16.631,1097 -3.065,1098 10.351,1099 12.606,1100 0.001,1101 21.257,1102 9.76,1103 3.577,1104 -1.532,1105 18.63,1106 -3.138,1107 11.549,1108 14.099,1110 23.873,1111 10.851,1112 2.666,1113 14.188,1114 20.643,1115 -3.788,1116 12.821,1117 15.671,1119 26.537,1120 12.046,1121 2.344,1122 8.592,1123 22.665,1124 4.769,1125 14.065,1126 17.205,1128 29.177,1129 13.193,1130 1.879,1131 6.21,1132 24.694,1133 3.421,1134 15.333,1135 18.769,1137 31.833,1138 14.38,1139 1.609,1140 5.104,1141 26.729,1142 2.739,1143 16.594,1144 20.319,1146 34.481,1147 15.552,1148 1.195,1149 4.579,1150 28.768,1151 2.217,1152 17.864,1153 21.881,1155 37.135,1156 16.739,1157 1,1158 2.824,1159 30.809,1160 1.879,1161 19.132,1162 23.438,1164 39.786,1165 17.921,1166 2391,1167 3670,1168 11.731,1169 25.176,1170 28.743,1171 29.698,1172 30.733,1173 28.572,1174 28.54,1175 35.58,1176 0.8,1177 87.545,1178 27.521,1179 5.959,1180 6.734,1181 7.326,1182 5.541,1183 5.577,1184 7.769,1185 0.8,1186 22.569,1187 5.297,1188 10.528,1189 1.513,1190 1.563,1191 1.618,1192 1.504,1193 1.502,1194 1.873,1195 0.042,1196 4.608,1197 1.448,1198 4.111,1199 4.102,1200 4.744,1201 4.089,1202 7.715,1203 4.005,1204 3.834,1205 3.883,1206 3.743,1207 3.732,1208 6.999,1209 3.721,1210 3.577,1211 3.561,1212 3.638,1213 3.507,1214 4.705,1215 3.425,1216 3.367,1217 3.452,1218 3.151,1219 3.217,1220 4.336,1221 3.19,1222 3.151,1223 3.249,1224 2.91,1225 2.964,1226 3.903,1227 2.937,1228 3.023,1229 3.099,1230 2.834,1231 2.838,1232 3.824,1233 2.795,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 3.674,1239 2.715,1240 2.679,1241 2.81,1242 2.32,1243 2.433,1244 3.658,1245 2.387,1246 0.261,1247 0.249,1248 0.409,1249 0.237,1250 0.188,1251 4.959,1252 0.251,1253 4.734,1254 0.021,1255 7.78,1256 0.747,1257 4.505,1258 0.174,1259 3.577,1260 4.769,1261 0.4,1262 14.188,1263 3.297,1264 1.996,1265 1.998,1266 2.073,1267 2.091,1268 1.456,1269 2.126,1270 1.84,1271 1.79,1272 2.017,1273 1.965,1274 1.182,1275 1.99,1276 1.442,1277 1.46,1278 1.733,1279 1.606,1280 0.97,1281 1.655,1282 1.405,1283 1.325,1284 1.581,1285 1.586,1286 0.831,1287 1.644,1288 1.185,1289 1.091,1290 1.523,1291 1.421,1292 0.681,1293 1.475,1294 0.996,1295 0.936,1296 1.209,1297 1.248,1298 0.398,1299 1.301,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.348,1305 1.107,1306 0.737,1307 0.611,1308 1.007,1309 1.034,1310 0.218,1311 1.102,1312 3.664,1314 5.017,1316 6.583,1318 8.247,1320 9.959,1322 5.964,1328 3.021,1332 0.195,1333 1.682,1340 22.906,1341 58.589,1342 109.889,1343 148.356,1344 157.866,1345 157.866,1346 157.866,1347 42.255,1348 5.981,1349 37.38,1350 45.76,1351 12,1352 12.207,1353 3.17,1354 2.585,1355 30.744,1356 43,1357 50,1358 0.362,1359 147.412,1360 254.31,1361 351.445,1362 2267,1364 13.336,1365 0.741,1366 0.671,1367 13.586,1368 12.074,1369 8.426,1370 0.443,1371 0.419,1372 6.604,1373 7.465,1374 6.192,1375 5.212,1376 9.214,1377 7.969,1378 8.189,1379 0.292,1380 0.254,1381 9.471,1382 7.12,1383 6.472,1384 0.18,1385 0.163,1386 7.857,1387 5.852,1388 5.425,1389 0.121,1390 0.102,1391 6.833,1392 4.585,1393 3.491,1394 0.073,1395 0.063,1396 4.45,1397 3.018,1398 0.531,1399 59.918,1400 0.292,1401 17.544,1402 1.11,1403 94,1404 243.977,1405 141.276,1406 257.086,1407 347.54,1408 234,1409 111,1410 228.738,1411 169.181,1412 269.906,1413 394.48,1414 252,1415 6.434}
{0 CHEMBL575621,1 1.421,2 7.952,3 4.544,4 20.649,5 88.051,6 6.448,7 0.273,8 3.911,9 4.035,10 3.541,11 3.488,12 4.762,13 3.381,14 4.538,15 4.741,16 3.885,17 3.919,18 5.589,19 3.795,20 4.859,21 5.072,22 4.046,23 4.184,24 5.771,25 4.013,26 5.094,27 5.346,28 3.946,29 4.211,30 6.106,31 4.021,32 5.015,33 5.277,34 3.546,35 4.01,36 6.049,37 3.819,38 4.677,39 4.975,40 3.386,41 3.791,42 5.401,43 3.551,44 4.44,45 4.688,46 3.247,47 3.595,48 5.387,49 3.385,50 4.414,51 4.692,52 2.808,53 3.317,54 5.422,55 3.161,56 0.104,57 0.679,58 15.4,59 5.393,60 13.683,61 7.2,62 0.341,63 1.131,64 24.508,65 9.12,66 49.666,67 12.284,68 0.226,69 1.536,70 37.011,71 13.111,72 36.606,73 16.812,74 0.4,75 1.686,76 48.447,77 15.821,78 76.497,79 19.743,80 0.528,81 1.404,82 38.103,83 12.478,84 97.561,85 16.738,86 0.191,87 1.085,88 26.678,89 10.163,90 37.356,91 13.679,92 0.143,93 0.915,94 25.964,95 8.676,96 33.241,97 10.826,98 0.4,99 0.736,100 20.102,101 5.531,102 64.599,103 7.99,104 51,105 34,106 0.247,107 0.462,108 0.605,109 0.692,110 0.692,111 0.692,112 3.104,113 1.257,114 -4.43,115 -4.36,116 -4.11,121 35.4,122 5,123 3,125 1,129 2,144 4,145 1,146 1,176 10,179 3,180 4,187 15,192 7,200 12,206 14,214 9,219 5,227 8,232 3,239 10,244 9,251 6,264 5,277 13,281 531,282 12.935,283 12.935,284 12.935,285 12.935,286 12.935,287 12.01,288 18.396,289 7.163,290 13.153,291 10.788,292 10.788,293 10.788,294 10.788,295 10.788,296 9.284,297 26.295,298 3.302,299 11.161,300 4.164,301 2.925,302 2.101,303 1.6,304 1.6,305 1.6,306 3.746,311 1,312 1,313 338,314 3.808,318 145.583,325 1.293,326 24.404,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 44.5,338 167,339 4.96,340 4.734,341 7.78,342 4.508,343 3.579,344 4.77,345 0.4,346 14.188,347 3.332,348 4.423,349 3.534,350 7.111,351 4.305,352 3.307,353 3.759,355 11.656,356 3.274,357 3.759,358 3.035,359 6.199,360 3.582,361 2.636,362 2.916,364 8.58,365 2.48,366 3.389,367 1.982,368 4.925,369 2.978,370 1.979,371 2.567,373 5.468,374 1.978,375 2.879,376 1.96,377 4.841,378 2.861,379 1.879,380 1.879,382 5.104,383 1.844,384 2.766,385 1.533,386 4.551,387 2.404,388 1.416,389 1.835,391 4.182,392 1.394,393 2.5,394 1.209,395 3.828,396 2.148,397 1.16,398 1.5,400 2.807,401 1.144,402 2.283,403 1,404 3.414,405 2,406 1,407 1.26,409 2.275,410 1,411 1,412 0.298,413 3.099,414 0.882,415 -0.098,416 -0.104,418 -0.256,419 -0.096,420 1,421 -0.121,422 2.76,423 0.648,424 -0.347,425 -0.347,427 -0.757,428 -0.345,429 0.915,430 -0.322,431 2.447,432 0.479,433 -0.493,434 -0.653,436 -1.231,437 -0.47,438 0.653,439 -0.76,440 2.352,442 -1,443 -1,445 -3,446 -1,447 0.5,448 -1,449 2,451 -1,452 -1,454 -3,455 -1,457 -1,458 2,460 -1,461 -1.247,463 -3,464 -1,466 -1,467 2,469 -1,470 -1.5,472 -3,473 -1,474 10.4,475 0.495,476 0.949,477 0.045,478 21,479 1,480 9,481 0.429,482 12,483 0.571,484 23.873,485 1.137,486 25,487 0.521,488 14.164,489 0.674,490 3.073,491 0.146,492 6.563,493 0.313,494 0.304,495 0.128,496 0.231,501 0.412,502 1.481,503 0.976,504 1.405,505 0.687,506 1.206,507 0.501,508 1.065,509 0.765,510 0.897,511 0.456,512 0.916,513 0.955,514 1.227,515 1.25,516 1.249,517 0.733,518 1.155,519 1.372,520 1.115,521 1.409,522 1.284,523 1.337,524 1.036,525 2.083,526 0.867,527 1.069,528 0.843,529 2.301,530 0.995,531 0.648,532 0.874,533 0.74,534 0.824,535 0.748,536 0.911,537 0.838,538 1.443,539 1.618,540 1.632,541 0.705,542 1.241,543 2.838,544 0.462,545 1.024,546 0.434,547 2.803,548 0.748,549 7,550 0.037,551 4.222,552 2.938,553 1.333,554 0.84,555 0.487,556 0.292,557 0.284,558 0.074,559 3566,560 6905,561 1.868,562 56.3,563 11,564 6,569 10,572 1.634,573 1.658,574 2.935,575 -0.797,582 68.209,583 1.421,584 2.66,585 3.484,586 3.985,587 3.985,588 3.985,589 2.453,590 3.594,591 4.365,592 3.125,593 656.252,594 7.49,595 6785.59,597 1,600 268.078,601 1.873,602 4.237,603 0.318,604 0.012,605 0.124,606 0.082,607 0.039,608 0.038,609 0.027,610 0.017,611 0.026,612 0.006,613 0.689,614 0.67,615 1,616 0.947,617 93.208,618 0.21,619 -0.155,620 0.259,621 -0.073,622 -0.162,623 0.01,624 0.413,625 0.09,626 0.235,627 0.16,628 0.318,629 0.147,630 -0.038,631 -0.053,632 -0.028,633 -0.071,634 0.025,635 -0.088,636 -0.06,637 -0.092,638 -0.119,639 -0.134,640 0.033,641 -0.037,642 -0.305,643 0.026,644 -0.177,645 0.01,646 -0.299,647 -0.088,648 0.016,649 0.042,650 0.114,651 0.098,652 -0.061,653 0.063,654 0.045,655 -0.372,656 -0.236,657 -0.377,658 0.151,659 -0.192,660 -0.554,661 0.42,662 -0.216,663 0.258,664 -0.429,665 0.06,666 4.306,667 5.895,668 0.571,669 14.803,670 0.986,671 1.13,672 3.197,673 10.221,674 0.635,675 3.135,676 3.555,677 3.761,678 3.951,679 4.007,680 4.06,681 4.143,682 3.932,683 3.97,684 3.497,685 4.935,686 0.573,687 309.52,688 3.135,689 4.727,690 5.58,691 6.5,692 7.371,693 8.291,694 9.17,695 10.09,696 10.974,697 11.893,698 2.1,701 1,715 4,720 2,722 6,741 48,743 8,744 1,745 22,747 49,748 17,749 6,750 2,751 4,756 2,757 2,763 5,764 1,767 5,770 5,772 6,773 11,777 2,780 1,782 2,790 1,793 27,794 3,796 4,797 1,802 1,808 1,809 2,829 2,859 2,862 1,864 5,868 21,872 1,876 3,880 2,881 1,882 1,893 4.2,896 2,901 12.667,902 9.95,903 4.389,904 3.132,907 1.191,908 1.189,909 0.909,910 4.511,911 7.494,912 3.332,913 3.942,914 4.36,915 4.786,916 5.139,917 5.398,918 5.741,919 5.181,920 5.323,921 4.853,922 1,923 36,924 8.066,926 3.613,927 0.026,929 7.722,931 15.497,933 13.315,936 2.222,937 46.667,938 0.001,940 1,941 317.82,942 100.178,943 1.519,945 44.313,947 5.807,948 94.371,949 362.133,950 1.519,951 44.126,952 7.604,953 43.712,954 44.313,955 6.255,957 317.82,959 317.82,960 95.889,961 44.313,962 5.807,964 200.109,965 162.024,968 53.248,969 42.641,970 5.807,972 317.82,973 45.832,974 100.178,976 5.807,977 317.82,978 12.34,979 83.55,981 44.313,982 317.82,983 45.832,984 100.178,986 0.617,987 0.352,988 0.171,989 0.075,990 17,991 9,992 0.061,993 3,995 1,996 3.04,997 161.182,999 12,1000 75.484,1004 1,1005 16.512,1006 5.736,1007 3.323,1009 45.832,1010 7.381,1015 1.567,1018 463.83,1019 27,1022 -3.389,1024 25.79,1031 47.32,1032 54.235,1034 0.254,1035 0.476,1036 0.624,1037 0.714,1038 0.714,1039 0.714,1040 4.649,1041 1,1042 5.7,1043 2.807,1044 4.234,1045 4.625,1046 0.278,1047 6.666,1048 4.165,1049 5.928,1050 -0.098,1051 7.388,1052 2.275,1053 4.369,1054 4.956,1056 8.222,1057 4.241,1058 7.326,1059 -0.347,1060 9.202,1061 -0.256,1062 6.089,1063 6.956,1064 0.05,1065 11.266,1066 5.926,1067 8.767,1068 -0.493,1069 11.088,1070 -0.757,1071 6.948,1072 8.055,1074 13.546,1075 6.72,1076 10.245,1077 -1,1078 13.018,1079 -1.231,1080 8.32,1081 9.726,1082 0.008,1083 16.277,1084 8.054,1085 11.749,1086 -1,1087 14.976,1088 -3,1089 9.433,1090 11.104,1092 18.786,1093 9.105,1094 13.272,1095 -1,1096 16.953,1097 -3,1098 10.711,1099 12.687,1100 0.001,1101 21.44,1102 10.339,1103 3.579,1104 -1,1105 18.944,1106 -3,1107 11.911,1108 14.17,1110 24.028,1111 11.48,1112 3.307,1113 14.188,1114 20.944,1115 -3,1116 13.166,1117 15.73,1119 26.667,1120 12.685,1121 2.636,1122 11.656,1123 22.952,1124 4.77,1125 14.398,1126 17.255,1128 29.286,1129 13.859,1130 1.979,1131 8.58,1132 24.966,1133 3.759,1134 15.65,1135 18.811,1137 31.923,1138 15.056,1139 1.879,1140 5.468,1141 26.984,1142 2.916,1143 16.895,1144 20.354,1146 34.556,1147 16.243,1148 1.416,1149 5.104,1150 29.006,1151 2.567,1152 18.149,1153 21.91,1155 37.197,1156 17.438,1157 1.16,1158 4.182,1159 31.032,1160 1.879,1161 19.401,1162 23.462,1164 39.837,1165 18.63,1166 3738,1167 5371,1168 13.118,1169 30.461,1170 34.287,1171 34.948,1172 35.859,1173 33.936,1174 33.912,1175 40.972,1176 0.8,1177 108.52,1178 32.89,1179 5.96,1180 6.734,1181 7.326,1182 5.557,1183 5.579,1184 7.77,1185 0.8,1186 22.573,1187 5.332,1188 14.282,1189 1.559,1190 1.589,1191 1.63,1192 1.543,1193 1.541,1194 1.862,1195 0.036,1196 4.933,1197 1.495,1198 4.119,1199 4.112,1200 4.744,1201 4.097,1202 7.715,1203 4.019,1204 3.868,1205 3.915,1206 3.811,1207 3.775,1208 6.999,1209 3.755,1210 3.684,1211 3.707,1212 3.655,1213 3.602,1214 4.709,1215 3.55,1216 3.403,1217 3.452,1218 3.33,1219 3.29,1220 4.336,1221 3.236,1222 3.367,1223 3.422,1224 3.151,1225 3.217,1226 4.208,1227 3.19,1228 3.134,1229 3.221,1230 2.898,1231 2.944,1232 3.903,1233 2.909,1234 2.874,1235 3.009,1236 2.687,1237 2.735,1238 3.674,1239 2.715,1240 2.874,1241 3.009,1242 2.499,1243 2.618,1244 3.659,1245 2.57,1246 0.225,1247 0.215,1248 0.354,1249 0.205,1250 0.163,1251 4.96,1252 0.217,1253 4.734,1254 0.018,1255 7.78,1256 0.645,1257 4.508,1258 0.151,1259 3.579,1260 4.77,1261 0.4,1262 14.188,1263 3.332,1264 2.012,1265 2.011,1266 2.089,1267 2.098,1268 1.457,1269 2.132,1270 1.864,1271 1.817,1272 2.059,1273 2,1274 1.294,1275 2.023,1276 1.643,1277 1.614,1278 1.815,1279 1.775,1280 1.032,1281 1.823,1282 1.405,1283 1.325,1284 1.733,1285 1.606,1286 0.97,1287 1.655,1288 1.309,1289 1.302,1290 1.577,1291 1.496,1292 0.782,1293 1.542,1294 1.138,1295 1.065,1296 1.417,1297 1.36,1298 0.469,1299 1.417,1300 0.934,1301 0.821,1302 1.417,1303 1.239,1304 0.469,1305 1.308,1306 0.934,1307 0.804,1308 1.209,1309 1.239,1310 0.465,1311 1.308,1312 3.807,1314 5.198,1316 6.786,1318 8.457,1320 10.171,1322 10.412,1328 3.005,1332 0.169,1333 1.697,1334 0.036,1340 27.487,1341 68.209,1342 127.672,1343 167.21,1344 191.284,1345 191.284,1346 191.284,1347 57.545,1348 6.303,1349 37.38,1350 45.76,1351 12,1352 12.408,1353 3.17,1354 2.585,1355 39.205,1356 61,1357 54,1358 0.327,1359 176.189,1360 306.21,1361 421.661,1362 3458,1364 15.836,1365 0.754,1366 0.694,1367 16.086,1368 14.574,1369 9.637,1370 0.438,1371 0.419,1372 7.854,1373 8.676,1374 7.284,1375 6.183,1376 10.426,1377 9.219,1378 10.147,1379 0.298,1380 0.267,1381 11.429,1382 9.081,1383 7.408,1384 0.176,1385 0.156,1386 8.793,1387 6.551,1388 6.124,1389 0.12,1390 0.098,1391 7.532,1392 5.002,1393 3.789,1394 0.07,1395 0.058,1396 4.707,1397 3.118,1398 0.494,1399 67.186,1400 0.276,1401 20.359,1402 0.953,1403 112,1404 261.977,1405 159.276,1406 277.226,1407 376.46,1408 252,1409 132,1410 252.738,1411 190.181,1412 297.409,1413 433.36,1414 276,1415 6.339}
{0 CHEMBL575674,1 1.528,2 21.193,3 10.246,4 104.974,5 230.202,6 7.252,7 0.438,8 4.781,9 4.904,10 4.335,11 4.33,12 5.802,13 4.293,14 5.37,15 5.551,16 4.71,17 4.773,18 6.353,19 4.71,20 5.663,21 5.881,22 4.829,23 4.98,24 6.545,25 4.883,26 5.787,27 6.02,28 4.847,29 5.036,30 6.655,31 4.925,32 5.844,33 6.082,34 4.832,35 5.074,36 6.67,37 4.953,38 5.891,39 6.137,40 4.838,41 5.096,42 6.705,43 4.955,44 5.923,45 6.19,46 4.82,47 5.052,48 6.741,49 4.913,50 5.856,51 6.116,52 4.775,53 4.955,54 6.773,55 4.828,56 0.189,57 1.598,58 23.688,59 10.503,60 19.119,61 14.135,62 0.437,63 2.662,64 46.762,65 18.137,66 64.498,67 25.029,68 0.559,69 3.429,70 66.228,71 24.57,72 65.337,73 34.762,74 0.647,75 3.795,76 75.52,77 27.204,78 83.24,79 38.858,80 0.82,81 3.964,82 79.553,83 28.678,84 84.694,85 40.818,86 0.775,87 4.046,88 84.698,89 31.422,90 85.961,91 44.886,92 0.79,93 4.068,94 92.451,95 31.036,96 91.358,97 44.846,98 1.078,99 3.715,100 89.584,101 27.745,102 122.166,103 39.409,104 53,105 91,106 0.217,107 0.527,108 0.76,109 0.878,110 0.889,111 0.891,112 4.062,113 0.978,114 -6.96,115 -6.77,116 -6.26,121 41.3,122 1,123 10,124 2,126 2,127 4,129 1,137 1,138 1,144 9,145 5,146 5,148 3,153 1,168 4,176 24,179 2,180 13,185 2,187 32,191 1,192 21,195 1,197 2,200 25,206 19,209 2,211 5,214 26,218 2,219 13,222 1,224 2,227 25,231 3,232 16,237 4,239 25,243 1,244 23,249 2,251 20,255 3,256 20,261 1,264 19,268 6,269 16,274 1,277 14,281 8279,282 39.314,283 39.314,284 39.314,285 39.314,286 39.314,287 35.497,288 51.052,289 23.02,290 40.174,291 31.5,292 31.5,293 31.5,294 31.5,295 31.5,296 25.357,297 60.777,298 10.765,299 32.739,300 5.24,301 3.052,302 1.406,303 0.571,304 0.498,305 0.479,306 4.785,308 1,313 2691,314 4.95,317 158.229,318 1080.79,320 188.015,322 779.43,324 291.736,325 2.822,326 47.888,329 0.25,330 0.17,331 0.33,332 0.5,333 0.5,334 0.33,335 0.5,336 0.37,337 121.833,338 1208,339 4.687,340 3.785,341 6.986,342 4.304,343 3.32,344 4.594,345 2.612,346 11.936,347 3.267,348 4.521,349 3.624,350 6.919,351 4.24,352 3.264,353 4.146,354 1.277,355 11.678,356 3.187,357 4.274,358 3.511,359 6.243,360 3.837,361 2.86,362 3.968,363 0.86,364 9.341,365 2.813,366 4.151,367 3.17,368 6.206,369 3.822,370 2.85,371 3.731,372 0.86,373 9.26,374 2.758,375 4.115,376 3.083,377 5.951,378 3.696,379 2.739,380 3.626,381 0.68,382 8.322,383 2.618,384 4.023,385 2.898,386 5.697,387 3.644,388 2.694,389 3.402,390 0.494,391 7.877,392 2.548,393 3.846,394 2.88,395 5.646,396 3.446,397 2.477,398 3.17,399 0.4,400 7.633,401 2.406,402 3.634,403 2.62,404 5.615,405 3.24,406 2.268,407 3.03,409 7.433,410 2.196,411 3.579,412 2.591,413 5.434,414 3.233,415 2.262,416 2.94,418 6.989,419 2.195,420 3.407,421 2.457,422 5.196,423 3.081,424 2.123,425 2.728,427 6.18,428 2.032,429 3.329,430 2.451,431 5.126,432 3.028,433 2.087,434 2.477,436 6.141,437 1.973,438 3.262,439 2.299,440 4.904,441 2.995,442 2.05,443 2.432,445 5.72,446 1.887,447 3.111,448 2.234,449 4.894,450 2.875,451 1.903,452 2.257,454 5.572,455 1.833,456 3.041,457 2.131,458 4.813,459 2.748,460 1.783,461 2.073,463 5.126,464 1.721,465 2.902,466 2.007,467 4.776,468 2.685,469 1.718,470 1.999,472 5.12,473 1.646,474 27.348,475 0.48,476 1.293,477 0.023,478 68,479 1.193,480 31.5,481 0.553,482 36.5,483 0.64,484 71.356,485 1.252,486 62.052,487 0.569,488 60.048,489 1.053,490 12.373,491 0.217,492 15.436,493 0.271,494 0.105,496 0.355,501 0.577,502 1.218,503 0.73,504 1.071,505 0.506,506 0.996,507 0.878,508 1.116,509 0.812,510 0.959,511 0.466,512 0.94,513 0.733,514 1.08,515 0.905,516 1.02,517 0.532,518 1.001,519 0.817,520 1.098,521 0.901,522 1.049,523 0.74,524 1.042,525 0.919,526 1,527 0.925,528 0.992,529 0.702,530 1.039,531 0.699,532 1.114,533 0.885,534 1.093,535 0.684,536 1.096,537 0.884,538 1.03,539 0.94,540 1,541 0.704,542 0.984,543 1.286,544 0.947,545 1.089,546 0.936,547 1.352,548 0.954,549 11,550 0.368,551 5.333,552 4.507,553 3.623,554 2.229,555 1.551,556 1.187,557 0.694,558 0.631,559 85179,560 205130,561 2.144,562 47.7,563 17,564 25,565 1,567 1,568 4,569 4,572 1.876,573 2.024,574 4.227,575 -0.442,582 166.524,583 1.528,584 3.716,585 5.362,586 6.197,587 6.27,588 6.289,589 3.51,590 5.504,591 5.814,592 4.532,593 7232.54,594 10.339,595 180410,600 737.732,601 1.35,602 5.773,603 0.172,604 0.006,605 0.059,606 0.045,607 0.037,608 0.023,609 0.017,610 0.013,611 0.008,612 0.009,613 0.387,614 0.17,615 0.38,616 0.713,617 365.034,618 0.17,619 0.004,620 0.064,621 -0.004,622 0.068,623 0.015,624 0.007,625 0.005,626 0.043,627 0.062,628 0.182,629 0.055,630 0.02,631 -0.012,632 0.002,633 -0.007,634 0.051,635 0.003,636 -0.017,637 -0.053,638 -0.021,639 -0.06,641 -0.048,642 -0.069,643 0.036,644 -0.067,645 -0.014,646 -0.054,647 -0.052,648 0.054,649 -0.123,650 -0.009,651 -0.092,653 -0.085,654 -0.018,655 -0.057,656 0.032,657 -0.025,658 0.024,659 0.009,660 -0.101,661 0.026,662 -0.024,663 0.024,664 -0.085,665 0.011,666 2.322,667 4.697,668 0.667,669 83.794,670 0.997,671 1.127,672 5.735,673 32.886,674 0.663,675 4.174,676 4.522,677 4.844,678 5.176,679 5.481,680 5.666,681 5.875,682 6.059,683 6.19,684 6.282,685 12.891,686 0.623,687 790.49,688 4.174,689 5.74,690 6.613,691 7.514,692 8.408,693 9.317,694 10.221,695 11.136,696 12.045,697 12.964,698 6.4,701 1,703 1,706 1,708 3,709 1,714 2,715 10,716 3,720 11,721 1,722 28,734 1,735 1,739 2,740 1,741 109,743 31,744 3,745 64,747 116,748 45,749 23,750 9,751 9,756 8,757 15,758 1,763 1,767 5,768 2,770 11,772 25,773 20,774 2,777 3,779 1,782 2,784 1,786 1,793 52,794 9,795 1,796 12,797 1,802 7,808 0.5,809 4,822 1,828 1,829 7,831 1,833 3,835 1,849 1,850 1,855 1,859 4,864 3,865 1,868 57,876 14,877 1,878 2,880 3,881 1,890 1,892 1,893 3.7,898 2,899 2,901 28.167,902 20.426,903 12.556,904 7.198,907 5.926,908 1.556,909 0.991,910 12.355,911 16.588,912 4.407,913 5.016,914 5.6,915 6.196,916 6.754,917 7.11,918 7.532,919 7.935,920 8.313,921 8.574,922 1,923 100,924 21.178,926 9.126,927 0.026,929 7.587,931 41.577,933 35.61,936 2.087,937 118.944,941 600.326,942 213.829,943 78.571,944 39.149,945 72.747,948 213.829,949 712.222,950 78.571,951 36.261,952 33.768,953 103.81,954 68,955 72.56,956 11.771,957 588.555,958 89.896,959 600.326,960 292.399,961 72.747,962 39.149,964 553.242,965 69.084,966 50.747,968 55.152,969 154.102,970 122.295,972 600.326,973 151.317,974 252.977,977 600.326,978 79.428,979 144.972,980 18.011,981 161.884,982 600.326,983 151.317,984 252.977,986 0.579,987 0.347,988 0.197,989 0.114,990 44,991 20,992 0.138,993 16,994 5,995 1.237,996 6.288,997 659.517,998 0.263,999 37,1000 328.475,1005 39.648,1006 17.762,1007 8.671,1008 2.089,1009 143.871,1010 19.292,1011 14.129,1015 10.229,1016 1.955,1017 18.011,1018 1004.62,1019 81,1021 -0.322,1024 23.393,1026 2.503,1028 1.571,1031 108.668,1032 122.819,1034 0.226,1035 0.549,1036 0.792,1037 0.916,1038 0.926,1039 0.929,1040 5.673,1041 2.268,1042 6.603,1043 7.633,1044 5.209,1045 5.705,1046 2.964,1047 7.447,1048 5.141,1049 6.876,1050 2.262,1051 8.176,1052 7.433,1053 4.796,1054 5.574,1055 2.493,1056 8.396,1057 4.682,1058 8.193,1059 2.123,1060 9.848,1061 6.989,1062 6.832,1063 7.909,1064 4.242,1065 11.537,1066 6.711,1067 9.544,1068 2.087,1069 11.581,1070 6.18,1071 7.245,1072 8.608,1073 4.54,1074 13.338,1075 7.088,1076 10.928,1077 2.05,1078 13.352,1079 6.141,1080 8.735,1081 10.424,1082 5.964,1083 16.01,1084 8.571,1085 12.334,1086 1.903,1087 15.152,1088 5.72,1089 9.542,1090 11.512,1091 6.564,1092 18.187,1093 9.349,1094 13.759,1095 1.783,1096 16.973,1097 5.572,1098 10.82,1099 13.125,1100 7.798,1101 20.708,1102 10.618,1103 3.32,1104 1.718,1105 18.811,1106 5.126,1107 11.819,1108 14.407,1109 8.55,1110 23.05,1111 11.594,1112 3.264,1113 11.936,1114 20.664,1115 5.12,1116 13.017,1117 15.937,1118 9.671,1119 25.526,1120 12.78,1121 2.86,1122 11.678,1123 22.528,1124 4.594,1125 14.107,1126 17.32,1127 10.509,1128 27.938,1129 13.852,1130 2.85,1131 9.341,1132 24.403,1133 4.146,1134 15.281,1135 18.82,1136 11.563,1137 30.403,1138 15.011,1139 2.739,1140 9.26,1141 26.286,1142 3.968,1143 16.415,1144 20.256,1145 12.452,1146 32.846,1147 16.128,1148 2.694,1149 8.322,1150 28.177,1151 3.731,1152 17.584,1153 21.748,1154 13.468,1155 35.31,1156 17.283,1157 2.477,1158 7.877,1159 30.074,1160 3.626,1161 18.741,1162 23.214,1163 14.386,1164 37.766,1165 18.423,1166 77519,1167 120641,1168 43.46,1169 72.228,1170 95.749,1171 97.988,1172 99.1,1173 95.599,1174 95.448,1175 120.618,1176 14.366,1177 280.146,1178 91.89,1179 5.648,1180 5.785,1181 6.81,1182 5.356,1183 5.32,1184 7.594,1185 4.612,1186 19.513,1187 5.267,1188 28.441,1189 1.496,1190 1.531,1191 1.548,1192 1.494,1193 1.491,1194 1.885,1195 0.224,1196 4.377,1197 1.436,1198 4.16,1199 4.192,1200 4.149,1201 4.087,1202 7.815,1203 4.089,1204 4.068,1205 4.095,1206 4.028,1207 3.985,1208 6.999,1209 3.989,1210 3.932,1211 4.003,1212 3.888,1213 3.821,1214 5.09,1215 3.81,1216 3.913,1217 3.936,1218 3.876,1219 3.796,1220 5.034,1221 3.804,1222 3.881,1223 3.915,1224 3.864,1225 3.733,1226 4.926,1227 3.751,1228 3.721,1229 3.785,1230 3.61,1231 3.56,1232 4.698,1233 3.559,1234 3.58,1235 3.633,1236 3.587,1237 3.448,1238 4.687,1239 3.438,1240 3.538,1241 3.591,1242 3.481,1243 3.369,1244 4.495,1245 3.376,1246 0.073,1247 0.059,1248 0.109,1249 0.067,1250 0.052,1251 4.687,1252 0.072,1253 3.785,1254 0.041,1255 6.986,1256 0.186,1257 4.304,1258 0.051,1259 3.32,1260 4.594,1261 2.612,1262 11.936,1263 3.267,1264 2.098,1265 2.074,1266 2.189,1267 2.183,1268 1.543,1269 2.187,1270 2.022,1271 1.999,1272 2.12,1273 2.137,1274 1.425,1275 2.129,1276 1.889,1277 1.858,1278 2.015,1279 2.023,1280 1.344,1281 1.997,1282 1.86,1283 1.838,1284 2.008,1285 1.98,1286 1.208,1287 1.992,1288 1.782,1289 1.725,1290 1.96,1291 1.936,1292 1.113,1293 1.96,1294 1.639,1295 1.573,1296 1.842,1297 1.87,1298 1.088,1299 1.863,1300 1.56,1301 1.505,1302 1.805,1303 1.774,1304 1.062,1305 1.773,1306 1.534,1307 1.468,1308 1.779,1309 1.702,1310 1.035,1311 1.741,1312 4.86,1314 6.201,1315 2.398,1316 7.741,1317 4.595,1318 9.385,1319 6.555,1320 11.09,1322 5.559,1323 6.424,1328 13.628,1329 3.823,1330 11.258,1332 0.955,1333 2.456,1340 67.953,1341 166.524,1342 405.053,1343 584.5,1344 675.467,1345 683.467,1346 685.467,1347 110.889,1348 10.662,1349 123.15,1350 123.15,1351 47,1352 13.476,1353 5,1354 4.17,1355 82.457,1356 467,1357 343,1358 0.084,1359 411.246,1360 721.45,1361 995.199,1362 1130530,1363 0.9,1364 39.467,1365 0.692,1366 0.595,1367 39.967,1368 33.933,1369 27.809,1370 0.435,1371 0.326,1372 20.275,1373 26.487,1374 19.75,1375 16.307,1376 28.097,1377 20.869,1378 24.967,1379 0.274,1380 0.178,1381 25.376,1382 16.235,1383 21.622,1384 0.172,1385 0.099,1386 21.884,1387 12.412,1388 18.912,1389 0.107,1390 0.055,1391 19.147,1392 9.633,1393 16.158,1394 0.068,1395 0.031,1396 16.39,1397 7.452,1398 0.14,1399 177.115,1400 0.152,1401 48.498,1402 0.212,1403 310,1404 817.349,1405 349.221,1406 819.133,1407 1124.26,1408 768,1409 372,1410 826.75,1411 407.739,1412 842.772,1413 1232.83,1414 792,1415 8.225}
{0 CHEMBL575802,1 1.539,2 20.607,3 9.79,4 95.834,5 225.601,6 7.325,7 0.444,8 4.757,9 4.878,10 4.32,11 4.306,12 5.786,13 4.271,14 5.343,15 5.522,16 4.698,17 4.75,18 6.336,19 4.691,20 5.634,21 5.847,22 4.811,23 4.958,24 6.528,25 4.863,26 5.769,27 6.005,28 4.827,29 5.008,30 6.638,31 4.899,32 5.802,33 6.037,34 4.804,35 5.036,36 6.644,37 4.918,38 5.851,39 6.097,40 4.814,41 5.056,42 6.676,43 4.919,44 5.878,45 6.14,46 4.791,47 5.017,48 6.71,49 4.881,50 5.829,51 6.089,52 4.744,53 4.921,54 6.745,55 4.792,56 0.181,57 1.559,58 22.739,59 10.15,60 18.76,61 13.588,62 0.427,63 2.597,64 45.108,65 17.537,66 63.655,67 24.063,68 0.534,69 3.348,70 63.756,71 23.77,72 64.289,73 33.442,74 0.651,75 3.714,76 74.36,77 26.591,78 83.862,79 37.94,80 0.796,81 3.822,82 75.916,83 27.337,84 83.074,85 38.708,86 0.763,87 3.892,88 81.434,89 30.049,90 85.902,91 42.826,92 0.768,93 3.913,94 88.166,95 29.584,96 89.397,97 42.476,98 1.029,99 3.59,100 87.476,101 27.432,102 120.918,103 38.702,104 46,105 90,106 0.219,107 0.534,108 0.765,109 0.877,110 0.888,111 0.891,112 4.045,113 0.967,114 -6.8,115 -6.61,116 -6.13,121 41.5,122 1,123 9,124 2,126 2,127 4,129 1,137 1,138 1,144 9,145 5,146 5,148 3,153 1,168 4,176 23,179 2,180 13,185 2,187 31,191 1,192 21,195 1,197 2,200 23,206 19,209 2,211 5,214 24,218 2,219 13,222 1,224 2,227 22,231 3,232 16,237 4,239 25,243 1,244 22,249 1,251 19,255 3,256 20,261 1,264 18,268 6,269 16,274 1,277 12,281 7854,282 38.444,283 38.444,284 38.444,285 38.444,286 38.444,287 34.574,288 49.84,289 22.514,290 39.304,291 31.072,292 31.072,293 31.072,294 31.072,295 31.072,296 24.94,297 59.306,298 10.611,299 32.311,300 5.189,301 2.977,302 1.359,303 0.569,304 0.493,305 0.474,306 4.768,308 1,313 2579,314 4.848,317 155.769,318 1060.98,320 185.198,322 765.237,324 287.167,325 2.813,326 47.518,329 0.25,330 0.17,331 0.33,332 0.5,333 0.5,334 0.33,335 0.5,336 0.37,337 119.833,338 1154,339 4.686,340 3.785,341 6.986,342 4.303,343 3.319,344 4.594,345 2.612,346 11.934,347 3.265,348 4.521,349 3.624,350 6.919,351 4.24,352 3.264,353 4.146,354 1.277,355 11.678,356 3.187,357 4.274,358 3.508,359 6.24,360 3.827,361 2.86,362 3.968,363 0.86,364 9.32,365 2.801,366 4.143,367 3.17,368 6.206,369 3.822,370 2.84,371 3.731,372 0.86,373 9.26,374 2.758,375 4.115,376 3.064,377 5.951,378 3.696,379 2.739,380 3.624,381 0.68,382 8.322,383 2.618,384 4.023,385 2.894,386 5.697,387 3.644,388 2.694,389 3.402,390 0.494,391 7.876,392 2.548,393 3.813,394 2.855,395 5.645,396 3.416,397 2.451,398 3.131,399 0.4,400 7.47,401 2.369,402 3.634,403 2.62,404 5.568,405 3.24,406 2.268,407 3.03,409 7.433,410 2.196,411 3.568,412 2.548,413 5.39,414 3.202,415 2.229,416 2.925,418 6.847,419 2.167,420 3.406,421 2.457,422 5.196,423 3.081,424 2.123,425 2.726,427 6.18,428 2.031,429 3.329,430 2.451,431 5.126,432 3.028,433 2.085,434 2.477,436 6.139,437 1.973,438 3.262,439 2.298,440 4.904,441 2.992,442 2.048,443 2.432,445 5.72,446 1.887,447 3.111,448 2.234,449 4.834,450 2.83,451 1.865,452 2.257,454 5.351,455 1.773,456 3.011,457 2.107,458 4.776,459 2.748,460 1.783,461 2.045,463 5.126,464 1.721,465 2.896,466 2.007,467 4.666,468 2.67,469 1.691,470 1.999,472 4.87,473 1.645,474 26.848,475 0.479,476 1.331,477 0.024,478 67.5,479 1.205,480 31.5,481 0.563,482 36,483 0.643,484 68.804,485 1.229,486 60.752,487 0.573,488 59.462,489 1.062,490 12.411,491 0.222,492 14.859,493 0.265,494 0.107,496 0.361,501 0.576,502 1.212,503 0.72,504 1.062,505 0.505,506 0.987,507 0.881,508 1.107,509 0.803,510 0.946,511 0.463,512 0.927,513 0.74,514 1.103,515 0.924,516 1.045,517 0.542,518 1.028,519 0.81,520 1.073,521 0.882,522 1.023,523 0.729,524 1.017,525 0.937,526 1.013,527 0.94,528 1.005,529 0.719,530 1.055,531 0.707,532 1.099,533 0.872,534 1.074,535 0.686,536 1.077,537 0.914,538 1.032,539 0.973,540 1.018,541 0.729,542 1.009,543 1.241,544 0.957,545 1.072,546 0.949,547 1.331,548 0.957,549 11,550 0.339,551 5.333,552 4.507,553 3.583,554 2.139,555 1.511,556 1.171,557 0.673,558 0.621,559 81748,560 199589,561 2.146,562 47.2,563 15,564 25,565 1,567 1,568 4,569 4,572 1.872,573 2.024,574 4.191,575 -0.436,582 163.1,583 1.539,584 3.75,585 5.369,586 6.159,587 6.235,588 6.254,589 3.474,590 5.508,591 5.789,592 4.51,593 6945.11,594 10.287,595 171166,600 713.16,601 1.358,602 5.746,603 0.175,604 0.005,605 0.059,606 0.046,607 0.037,608 0.023,609 0.016,610 0.013,611 0.008,612 0.009,613 0.392,614 0.17,615 0.38,616 0.675,617 356.966,618 0.168,619 0.004,620 0.064,621 -0.004,622 0.066,623 0.014,624 0.003,625 0.011,626 0.046,627 0.071,628 0.183,629 0.062,630 0.012,631 -0.032,632 -0.023,633 -0.034,634 0.04,635 -0.026,636 -0.012,637 -0.038,638 -0.001,639 -0.038,640 0.008,641 -0.024,642 -0.078,643 0.027,644 -0.085,645 -0.03,646 -0.066,647 -0.071,648 0.055,649 -0.112,650 0.005,651 -0.076,652 0.006,653 -0.067,654 -0.036,655 -0.053,656 0.002,657 -0.042,658 0.009,659 -0.017,660 -0.082,662 -0.006,663 0.018,664 -0.074,665 0.017,666 2.322,667 4.688,668 0.679,669 82.027,670 0.998,671 1.126,672 5.573,673 31.053,674 0.665,675 4.159,676 4.511,677 4.828,678 5.165,679 5.464,680 5.649,681 5.846,682 6.033,683 6.148,684 6.246,685 12.744,686 0.627,687 776.46,688 4.159,689 5.727,690 6.6,691 7.502,692 8.395,693 9.305,694 10.208,695 11.124,696 12.032,697 12.951,698 6.6,701 1,703 1,706 1,708 3,709 1,714 2,715 10,716 3,720 11,721 1,722 28,734 1,735 1,739 2,740 1,741 106,743 31,744 3,745 63,747 113,748 44,749 23,750 9,751 9,756 8,757 15,758 1,763 1,767 5,768 2,770 10,772 25,773 19,774 2,777 3,779 1,782 2,784 1,786 1,793 50,794 9,795 1,796 12,797 1,802 7,808 0.5,809 4,822 1,828 1,829 7,831 1,833 3,835 1,849 1,850 1,855 1,859 4,864 3,865 1,868 56,876 13,877 1,878 2,880 3,881 1,890 1,892 1,893 3.8,898 2,899 2,901 27.667,902 19.926,903 12.222,904 6.823,907 5.91,908 1.558,909 0.993,910 11.838,911 16.503,912 4.394,913 5.009,914 5.589,915 6.19,916 6.747,917 7.103,918 7.521,919 7.924,920 8.294,921 8.549,922 0.923,923 98,924 20.798,926 8.983,927 0.026,929 7.597,931 40.76,933 34.948,936 2.097,937 117.444,941 576.784,942 211.294,943 78.571,944 39.149,945 72.747,948 211.294,949 688.679,950 78.571,951 36.261,952 31.234,953 103.81,954 68,955 72.56,956 11.771,957 565.013,958 89.896,959 576.784,960 289.865,961 72.747,962 39.149,964 529.7,965 69.084,966 50.747,968 52.617,969 154.102,970 122.295,972 576.784,973 151.317,974 250.443,977 576.784,978 76.893,979 144.972,980 18.011,981 161.884,982 576.784,983 151.317,984 250.443,986 0.582,987 0.345,988 0.198,989 0.114,990 44,991 20,992 0.133,993 15,994 5,995 1.237,996 6.229,997 644.565,998 0.263,999 37,1000 323.212,1005 38.693,1006 17.133,1007 8.444,1008 2.08,1009 143.871,1010 19.262,1011 14.083,1015 10.198,1016 1.95,1017 18.011,1018 978.544,1019 80,1021 -0.322,1024 23.377,1026 2.448,1028 1.483,1031 105.785,1032 119.404,1034 0.229,1035 0.557,1036 0.798,1037 0.915,1038 0.927,1039 0.93,1040 5.663,1041 2.268,1042 6.592,1043 7.47,1044 5.198,1045 5.699,1046 2.964,1047 7.437,1048 5.129,1049 6.868,1050 2.229,1051 8.165,1052 7.433,1053 4.796,1054 5.574,1055 2.493,1056 8.384,1057 4.682,1058 8.186,1059 2.123,1060 9.838,1061 6.847,1062 6.821,1063 7.904,1064 4.242,1065 11.527,1066 6.699,1067 9.538,1068 2.085,1069 11.57,1070 6.18,1071 7.238,1072 8.605,1073 4.54,1074 13.329,1075 7.079,1076 10.921,1077 2.048,1078 13.342,1079 6.139,1080 8.725,1081 10.42,1082 5.964,1083 16.002,1084 8.559,1085 12.328,1086 1.865,1087 15.142,1088 5.72,1089 9.534,1090 11.508,1091 6.564,1092 18.181,1093 9.34,1094 13.752,1095 1.783,1096 16.963,1097 5.351,1098 10.812,1099 13.121,1100 7.798,1101 20.703,1102 10.607,1103 3.319,1104 1.691,1105 18.802,1106 5.126,1107 11.811,1108 14.404,1109 8.55,1110 23.046,1111 11.585,1112 3.264,1113 11.934,1114 20.656,1115 4.87,1116 13.01,1117 15.935,1118 9.671,1119 25.522,1120 12.771,1121 2.86,1122 11.678,1123 22.521,1124 4.594,1125 14.101,1126 17.318,1127 10.509,1128 27.935,1129 13.843,1130 2.84,1131 9.32,1132 24.396,1133 4.146,1134 15.274,1135 18.818,1136 11.563,1137 30.4,1138 15.003,1139 2.739,1140 9.26,1141 26.28,1142 3.968,1143 16.409,1144 20.254,1145 12.452,1146 32.844,1147 16.12,1148 2.694,1149 8.322,1150 28.171,1151 3.731,1152 17.579,1153 21.747,1154 13.468,1155 35.307,1156 17.275,1157 2.451,1158 7.876,1159 30.069,1160 3.624,1161 18.735,1162 23.213,1163 14.386,1164 37.764,1165 18.415,1166 74171,1167 116204,1168 42.767,1169 70.467,1170 94.736,1171 96.708,1172 97.768,1173 94.377,1174 94.27,1175 119.469,1176 14.366,1177 277.258,1178 90.712,1179 5.648,1180 5.785,1181 6.81,1182 5.354,1183 5.319,1184 7.594,1185 4.612,1186 19.51,1187 5.265,1188 28.056,1189 1.504,1190 1.535,1191 1.552,1192 1.498,1193 1.496,1194 1.896,1195 0.228,1196 4.401,1197 1.44,1198 4.159,1199 4.19,1200 4.148,1201 4.085,1202 7.815,1203 4.087,1204 4.068,1205 4.095,1206 4.028,1207 3.985,1208 6.999,1209 3.989,1210 3.932,1211 4.002,1212 3.887,1213 3.813,1214 5.09,1215 3.804,1216 3.913,1217 3.936,1218 3.875,1219 3.796,1220 5.034,1221 3.802,1222 3.873,1223 3.907,1224 3.86,1225 3.733,1226 4.926,1227 3.751,1228 3.721,1229 3.785,1230 3.601,1231 3.56,1232 4.698,1233 3.559,1234 3.578,1235 3.631,1236 3.582,1237 3.409,1238 4.688,1239 3.407,1240 3.5,1241 3.552,1242 3.481,1243 3.359,1244 4.495,1245 3.365,1246 0.074,1247 0.06,1248 0.111,1249 0.068,1250 0.053,1251 4.686,1252 0.073,1253 3.785,1254 0.041,1255 6.986,1256 0.189,1257 4.303,1258 0.052,1259 3.319,1260 4.594,1261 2.612,1262 11.934,1263 3.265,1264 2.097,1265 2.073,1266 2.187,1267 2.183,1268 1.535,1269 2.186,1270 2.022,1271 1.999,1272 2.12,1273 2.137,1274 1.425,1275 2.129,1276 1.881,1277 1.851,1278 2.014,1279 2.023,1280 1.344,1281 1.993,1282 1.86,1283 1.838,1284 2,1285 1.972,1286 1.198,1287 1.989,1288 1.782,1289 1.725,1290 1.96,1291 1.936,1292 1.112,1293 1.96,1294 1.639,1295 1.572,1296 1.842,1297 1.87,1298 1.088,1299 1.863,1300 1.552,1301 1.489,1302 1.779,1303 1.774,1304 1.059,1305 1.772,1306 1.463,1307 1.416,1308 1.691,1309 1.659,1310 0.918,1311 1.654,1312 4.844,1314 6.188,1315 2.398,1316 7.73,1317 4.595,1318 9.374,1319 6.555,1320 11.08,1322 5.549,1323 6.405,1328 12.473,1329 3.805,1330 11.251,1332 0.946,1333 2.455,1340 66.426,1341 163.1,1342 397.546,1343 569.146,1344 652.895,1345 660.895,1346 662.895,1347 107.634,1348 10.593,1349 123.15,1350 123.15,1351 47,1352 13.462,1353 5,1354 4.17,1355 80.286,1356 454,1357 312,1358 0.084,1359 401.653,1360 704.15,1361 971.794,1362 1046010,1363 0.9,1364 38.76,1365 0.692,1366 0.593,1367 39.26,1368 33.225,1369 27.271,1370 0.433,1371 0.322,1372 19.715,1373 25.949,1374 19.184,1375 15.838,1376 27.559,1377 20.308,1378 24.798,1379 0.276,1380 0.179,1381 25.207,1382 16.07,1383 21.183,1384 0.171,1385 0.097,1386 21.445,1387 12.067,1388 18.765,1389 0.108,1390 0.055,1391 19,1392 9.512,1393 15.839,1394 0.067,1395 0.031,1396 16.071,1397 7.203,1398 0.14,1399 173.887,1400 0.153,1401 47.857,1402 0.212,1403 306,1404 813.349,1405 345.221,1406 815.443,1407 1117.6,1408 764,1409 367,1410 820.75,1411 402.739,1412 837.717,1413 1223.88,1414 786,1415 8.403}
{0 CHEMBL575810,1 1.45,2 11.71,3 6.79,4 46.108,5 123.183,6 6.927,7 0.364,8 4.179,9 4.295,10 3.679,11 3.697,12 5.27,13 3.66,14 4.741,15 4.923,16 3.982,17 4.083,18 5.797,19 4.021,20 4.99,21 5.201,22 4.125,23 4.287,24 5.927,25 4.197,26 5.143,27 5.369,28 4.149,29 4.373,30 6.055,31 4.265,32 5.222,33 5.456,34 4.159,35 4.419,36 6.093,37 4.3,38 5.245,39 5.481,40 4.145,41 4.422,42 6.132,43 4.291,44 5.264,45 5.521,46 4.118,47 4.365,48 6.152,49 4.24,50 5.209,51 5.455,52 3.997,53 4.246,54 6.211,55 4.127,56 0.114,57 0.824,58 13.542,59 5.993,60 13.872,61 7.955,62 0.32,63 1.329,64 25.588,65 9.725,66 51.334,67 13.263,68 0.297,69 1.692,70 32.9,71 12.776,72 39.81,73 17.916,74 0.29,75 1.906,76 38.931,77 14.748,78 52.628,79 20.704,80 0.48,81 2.017,82 42.816,83 15.932,84 60.302,85 22.254,86 0.5,87 2.051,88 43.743,89 16.375,90 61.407,91 23.115,92 0.39,93 2.041,94 45.315,95 15.892,96 57.187,97 22.792,98 0.601,99 1.832,100 43.878,101 14.54,102 88.385,103 20.236,104 48,105 44,106 0.234,107 0.54,108 0.749,109 0.838,110 0.859,111 0.864,112 3.472,113 0.978,114 -5.49,115 -5.37,116 -5.01,121 41,123 6,126 2,127 2,129 1,142 1,143 1,144 6,145 3,146 3,168 2,176 14,179 1,180 8,187 14,191 1,192 15,200 12,206 11,214 13,218 2,219 7,227 16,231 3,232 8,239 14,244 12,251 12,255 1,256 12,264 10,268 3,269 6,277 10,281 1982,282 21.284,283 21.284,284 21.284,285 21.284,286 21.284,287 19.374,288 26.922,289 12.937,290 21.787,291 16.152,292 16.152,293 16.152,294 16.152,295 16.152,296 13.076,297 33.343,298 5.936,299 16.762,300 4.48,301 2.587,302 1.295,303 0.746,304 0.615,305 0.582,306 4.156,312 1,313 752,314 4,318 253.194,322 142.351,325 1.673,326 29.671,329 0.75,330 0.83,331 0.83,332 1,333 0.5,334 1,335 1,336 0.85,337 67,338 363,339 4.521,340 3.785,341 6.919,342 4.24,343 3.264,344 4.146,345 2.612,346 11.678,347 3.187,348 4.274,349 3.624,350 6.206,351 3.822,352 2.86,353 3.968,354 1.277,355 9.26,356 2.758,357 4.023,358 3.17,359 5.951,360 3.644,361 2.694,362 3.402,363 0.86,364 8.322,365 2.548,366 3.634,367 2.62,368 5.697,369 3.24,370 2.268,371 3.03,372 0.86,373 7.433,374 2.196,375 3.5,376 2.454,377 5.196,378 3.077,379 2.12,380 2.477,381 0.494,382 6.18,383 2.024,384 3.328,385 2.417,386 4.776,387 2.823,388 1.829,389 2.258,391 5.126,392 1.814,393 3.111,394 2.234,395 4.204,396 2.744,397 1.781,398 2.116,400 3.67,401 1.716,402 2.897,403 2.006,404 3.851,405 2.433,406 1.452,407 1.995,409 3.468,410 1.425,411 2.726,412 1.664,413 3.767,414 2.364,415 1.394,416 1.627,418 2.853,419 1.347,420 2.589,421 1.595,422 3.49,423 2.121,424 1.17,425 1.585,427 2.726,428 1.102,429 2.355,430 1.181,431 3.435,432 2,433 1,434 1.34,436 2.323,437 1,438 2.18,439 1.061,440 3.249,441 1.847,442 0.857,443 1.002,445 1.619,446 0.847,447 1.72,448 1,449 3.055,450 1.467,451 0.542,452 0.622,454 1.086,455 0.497,456 1.575,457 0.983,458 2.772,459 1.293,460 0.4,461 0.439,463 0.637,464 0.348,465 1.451,466 0.821,467 2.629,468 1.175,469 0.235,470 0.273,472 0.392,473 0.223,474 14.633,475 0.472,476 0.589,477 0.019,478 37,479 1.194,480 18,481 0.581,482 19,483 0.613,484 29.996,485 0.968,486 34.567,487 0.567,488 29.741,489 0.959,490 7.186,491 0.232,492 7.897,493 0.255,494 0.148,496 0.294,501 0.564,502 1.277,503 0.833,504 1.176,505 0.517,506 1.07,507 0.955,508 1.049,509 0.947,510 0.966,511 0.454,512 0.951,513 0.644,514 1.112,515 0.887,516 1.056,517 0.454,518 1.011,519 0.806,520 1.117,521 0.964,522 1.084,523 0.739,524 1.051,525 0.881,526 0.984,527 1.001,528 1.008,529 0.653,530 1.021,531 0.749,532 1.095,533 1.002,534 1.1,535 0.718,536 1.097,537 0.872,538 1.051,539 0.938,540 1.036,541 0.668,542 0.997,543 1.326,544 0.974,545 1.1,546 0.999,547 1.425,548 1.011,549 5,550 0.173,551 3.111,552 2,553 1.831,554 1.125,555 0.891,556 0.589,557 0.427,558 0.309,559 11233,560 30573,561 2.012,562 49.2,563 8,564 17,565 1,569 4,572 1.744,573 1.879,574 3.445,575 -0.799,582 88.472,583 1.45,584 3.344,585 4.635,586 5.185,587 5.316,588 5.349,589 2.916,590 4.478,591 4.912,592 3.629,593 1687.69,594 8.635,595 23814.7,600 361.775,601 1.418,602 4.881,603 0.152,604 0.007,605 0.071,606 0.04,607 0.037,608 0.023,609 0.019,610 0.013,611 0.011,612 0.01,613 0.38,614 0.17,615 0.88,616 1.924,617 159.729,618 0.179,619 -0.064,620 0.068,621 -0.046,622 0.053,623 -0.02,624 -0.003,625 0.054,626 0.011,627 0.073,628 0.176,629 0.05,630 0.071,631 -0.04,632 0.047,633 -0.021,634 0.083,635 0.007,636 -0.035,637 -0.085,638 -0.017,639 -0.067,640 -0.016,641 -0.042,642 -0.031,643 0.026,644 -0.04,645 -0.005,646 -0.037,647 -0.023,648 0.051,649 -0.095,650 -0.048,651 -0.095,652 -0.025,653 -0.093,654 -0.017,655 -0.07,656 0.036,657 -0.067,658 0.032,659 -0.012,660 -0.111,661 -0.025,662 -0.079,663 -0.051,664 -0.122,665 -0.058,666 2.336,667 4.386,668 0.516,669 35.99,670 0.998,671 1.125,672 4.262,673 18.166,674 0.647,675 3.526,676 3.807,677 4.094,678 4.369,679 4.663,680 4.812,681 5.004,682 5.124,683 5.226,684 5.22,685 6.764,686 0.611,687 422.57,688 3.526,689 5.043,690 5.889,691 6.763,692 7.641,693 8.532,694 9.425,695 10.326,696 11.228,697 12.135,698 3.3,701 1,709 1,715 6,720 6,722 12,735 1,739 2,741 61,743 15,744 2,745 33,747 63,748 25,749 12,750 6,751 6,756 3,757 4,767 2,770 7,771 2,772 12,773 11,777 2,779 1,782 2,793 30,794 5,796 6,802 2,808 0.667,809 4,829 3,833 1,836 1,837 1,855 1,859 2,864 2,868 31,876 8,878 2,880 1,881 1,885 1,886 1,891 1,893 6.6,898 2,899 2,901 16.5,902 11.483,903 7.25,904 3.814,907 2.47,908 1.324,909 0.935,910 8.34,911 10.084,912 3.784,913 4.29,914 4.8,915 5.328,916 5.887,917 6.152,918 6.54,919 6.81,920 7.146,921 7.404,922 0.875,923 50,924 11.467,926 4.724,927 0.026,929 7.785,931 22.074,933 17.822,936 2.285,937 70.833,941 353.133,942 161.194,943 8.794,945 72.747,948 161.194,949 425.88,950 8.794,951 27.436,952 19.419,953 56.857,955 47.924,956 52.123,957 341.362,958 50.747,959 353.133,960 169.989,961 72.747,964 306.049,965 69.084,966 50.747,968 22.543,969 124.745,970 22.701,972 353.133,973 81.541,974 161.194,977 353.133,978 42.219,979 87.418,980 17.031,981 96.068,982 353.133,983 81.541,984 161.194,986 0.558,987 0.333,988 0.182,989 0.105,990 18,991 9,992 0.159,993 10,994 1,995 1.125,996 4.071,997 275.951,998 0.125,999 16,1000 151.58,1005 23.125,1006 11.181,1007 5.581,1009 75.871,1010 11.032,1015 4.735,1018 595.868,1019 43,1021 -0.336,1024 22.771,1031 60.883,1032 68.647,1034 0.245,1035 0.564,1036 0.782,1037 0.874,1038 0.896,1039 0.902,1040 5.017,1041 1.452,1042 5.855,1043 3.67,1044 4.489,1045 4.977,1046 2.898,1047 6.673,1048 4.421,1049 6.199,1050 1.394,1051 7.415,1052 3.468,1053 4.007,1054 4.771,1055 2.493,1056 7.633,1057 3.895,1058 7.498,1059 1.17,1060 9.084,1061 2.853,1062 6.071,1063 7.105,1064 4.235,1065 10.766,1066 5.941,1067 8.833,1068 1,1069 10.819,1070 2.726,1071 6.463,1072 7.749,1073 4.54,1074 12.589,1075 6.284,1076 10.201,1077 0.857,1078 12.597,1079 2.323,1080 7.963,1081 9.554,1082 5.964,1083 15.247,1084 7.775,1085 11.592,1086 0.542,1087 14.403,1088 1.619,1089 8.766,1090 10.58,1091 6.564,1092 17.427,1093 8.536,1094 13.001,1095 0.4,1096 16.231,1097 1.086,1098 10.045,1099 12.173,1100 7.798,1101 19.934,1102 9.803,1103 3.264,1104 0.235,1105 18.074,1106 0.637,1107 11.041,1108 13.381,1109 8.55,1110 22.268,1111 10.765,1112 2.86,1113 11.678,1114 19.929,1115 0.392,1116 12.236,1117 14.878,1118 9.671,1119 24.728,1120 11.945,1121 2.694,1122 9.26,1123 21.795,1124 4.146,1125 13.322,1126 16.177,1127 10.509,1128 27.129,1129 13.003,1130 2.268,1131 8.322,1132 23.669,1133 3.968,1134 14.489,1135 17.628,1136 11.563,1137 29.579,1138 14.153,1139 2.12,1140 7.433,1141 25.55,1142 3.402,1143 15.616,1144 18.976,1145 12.452,1146 32.008,1147 15.257,1148 1.829,1149 6.18,1150 27.437,1151 3.03,1152 16.778,1153 20.405,1154 13.468,1155 34.458,1156 16.399,1157 1.781,1158 5.126,1159 29.33,1160 2.477,1161 17.926,1162 21.779,1163 14.386,1164 36.901,1165 17.525,1166 11345,1167 18898,1168 21.671,1169 39.489,1170 48.679,1171 49.843,1172 50.469,1173 47.672,1174 47.736,1175 60.559,1176 12.206,1177 133.543,1178 46.064,1179 5.469,1180 5.785,1181 6.882,1182 5.279,1183 5.264,1184 7.146,1185 4.612,1186 18.975,1187 5.187,1188 16.941,1189 1.475,1190 1.51,1191 1.529,1192 1.445,1193 1.447,1194 1.835,1195 0.37,1196 4.047,1197 1.396,1198 4.081,1199 4.109,1200 4.033,1201 3.993,1202 7.815,1203 3.997,1204 3.914,1205 3.937,1206 3.876,1207 3.796,1208 6.999,1209 3.804,1210 3.764,1211 3.822,1212 3.622,1213 3.651,1214 5.429,1215 3.634,1216 3.608,1217 3.658,1218 3.522,1219 3.443,1220 4.929,1221 3.444,1222 3.48,1223 3.514,1224 3.407,1225 3.286,1226 4.69,1227 3.287,1228 3.419,1229 3.468,1230 3.284,1231 3.099,1232 4.495,1233 3.157,1234 3.252,1235 3.317,1236 3.072,1237 3.016,1238 4.367,1239 3.017,1240 3.191,1241 3.265,1242 3.018,1243 2.963,1244 4.138,1245 2.978,1246 0.137,1247 0.115,1248 0.21,1249 0.128,1250 0.099,1251 4.521,1252 0.126,1253 3.785,1254 0.079,1255 6.919,1256 0.354,1257 4.24,1258 0.097,1259 3.264,1260 4.146,1261 2.612,1262 11.678,1263 3.187,1264 2.022,1265 1.999,1266 2.12,1267 2.137,1268 1.423,1269 2.129,1270 1.86,1271 1.838,1272 2.012,1273 2.023,1274 1.333,1275 1.992,1276 1.775,1277 1.718,1278 1.96,1279 1.925,1280 1.089,1281 1.953,1282 1.574,1283 1.519,1284 1.797,1285 1.771,1286 1.059,1287 1.774,1288 1.423,1289 1.372,1290 1.671,1291 1.651,1292 0.859,1293 1.647,1294 1.242,1295 1.203,1296 1.576,1297 1.61,1298 0.678,1299 1.554,1300 1.187,1301 1.123,1302 1.512,1303 1.524,1304 0.587,1305 1.536,1306 1.182,1307 1.108,1308 1.464,1309 1.419,1310 0.573,1311 1.453,1312 4.205,1314 5.493,1316 6.997,1318 8.612,1320 10.294,1322 3.265,1328 7.924,1330 11.042,1332 -0.061,1333 2.425,1337 5.34,1339 2.695,1340 37.277,1341 88.472,1342 203.959,1343 282.755,1344 316.265,1345 324.265,1346 326.265,1347 69.41,1348 7.614,1349 67.52,1350 67.52,1351 18,1352 12.654,1353 4,1354 3.459,1355 57.763,1356 114,1357 185,1358 0.233,1359 231.626,1360 415.58,1361 556.927,1362 19745,1364 22.217,1365 0.717,1366 0.59,1367 22.217,1368 18.303,1369 15.083,1370 0.457,1371 0.326,1372 10.596,1373 14.431,1374 10.306,1375 8.602,1376 15.083,1377 10.753,1378 12.634,1379 0.287,1380 0.178,1381 12.634,1382 7.815,1383 10.619,1384 0.18,1385 0.1,1386 10.619,1387 5.887,1388 8.744,1389 0.112,1390 0.056,1391 8.744,1392 4.333,1393 7.407,1394 0.071,1395 0.031,1396 7.407,1397 3.249,1398 0.359,1399 95.204,1400 0.215,1401 28.878,1402 0.662,1403 154,1404 466.232,1405 168.348,1406 443.01,1407 590.48,1408 412,1409 180,1410 423.921,1411 195.073,1412 427.518,1413 615.91,1414 397,1415 5.093}
{0 CHEMBL575813,1 1.744,2 6.45,3 3.038,4 9.23,5 76.71,6 7.853,7 0.286,8 3.73,9 3.83,10 3.527,11 3.276,12 4.794,13 3.214,14 4.328,15 4.489,16 3.842,17 3.688,18 5.704,19 3.609,20 4.638,21 4.844,22 4.05,23 3.921,24 5.691,25 3.804,26 4.808,27 4.988,28 4.103,29 3.947,30 6.11,31 3.854,32 4.848,33 5.045,34 3.753,35 3.76,36 6.451,37 3.702,38 4.485,39 4.736,40 3.303,41 3.575,42 5.466,43 3.452,44 4.406,45 4.649,46 3.155,47 3.416,48 5.535,49 3.294,50 4.276,51 4.563,52 2.192,53 2.887,54 5.442,55 2.676,56 0.169,57 0.573,58 10.683,59 3.982,60 16.676,61 4.849,62 0.439,63 0.92,64 17.45,65 6.788,66 78.855,67 8.544,68 0.386,69 1.215,70 29.638,71 9.536,72 52.647,73 11.6,74 0.709,75 1.275,76 42.419,77 11.659,78 104.863,79 12.873,80 1.39,81 1.084,82 34.957,83 9.087,84 272.405,85 11.313,86 0.43,87 0.881,88 21.227,89 7.047,90 77.542,91 10.028,92 0.377,93 0.79,94 19.083,95 6.028,96 47.379,97 8.636,98 0.664,99 0.503,100 20.638,101 4.868,102 122.476,103 6.684,104 38,105 31,106 0.316,107 0.559,108 0.697,109 0.762,110 0.771,111 0.771,112 3.06,113 1.152,114 -3.41,115 -3.39,116 -3.25,121 34.2,122 2,123 3,129 2,144 4,146 2,168 2,176 5,179 4,180 5,187 5,192 8,200 3,205 3,206 19,214 3,218 6,219 7,227 4,232 4,239 9,244 9,251 6,256 2,264 1,281 470,282 12.722,283 12.722,284 12.722,285 12.722,286 12.722,287 11.427,288 15.668,289 7.3,290 12.983,291 10.302,292 10.302,293 10.302,294 10.302,295 10.302,296 8.314,297 23.381,298 3.359,299 10.738,300 3.504,301 2.159,302 1.395,303 1.04,304 0.987,305 0.987,306 3.703,310 1,311 1,312 1,313 261,314 3.391,318 130.829,325 1.005,326 39.167,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 45,338 129,339 4.995,340 4.76,341 7.83,342 4.537,343 3.611,344 4.822,345 2.612,346 14.441,347 3.325,348 4.226,349 3.754,350 6.494,351 3.812,352 2.851,353 3.866,354 0.4,355 9.729,356 2.736,357 3.679,358 3.036,359 5.809,360 3.376,361 2.419,362 2.868,364 7.477,365 2.305,366 3.359,367 2.134,368 4.841,369 2.861,370 1.879,371 2.616,373 5.104,374 1.844,375 2.879,376 1.96,377 4.697,378 2.745,379 1.752,380 1.879,382 4.32,383 1.738,384 2.712,385 1.474,386 3.92,387 2.307,388 1.327,389 1.772,391 3.082,392 1.295,393 2.596,394 1.331,395 3.644,396 2.08,397 1.087,398 1.59,400 2.616,401 1.078,402 2.282,403 1.12,404 3.466,405 2,406 1,407 1.256,409 2.303,410 1,411 1,412 1,413 3.021,414 0.881,415 -0.099,416 -0.105,418 -0.259,419 -0.097,420 1,421 0.322,422 2.58,423 0.648,424 -0.347,425 -0.347,427 -0.757,428 -0.345,429 1,430 -0.114,431 2.352,432 0.419,433 -0.539,434 -0.755,436 -1.353,437 -0.506,438 0.918,439 -0.322,440 2,441 0.103,442 -0.884,443 -1.246,445 -2,446 -0.866,447 0.653,448 -0.608,449 2,451 -1,452 -1.29,454 -2.154,455 -1,456 0.599,457 -1,458 2,460 -1,461 -1.532,463 -3,464 -1,465 -0.219,466 -1.119,467 1.805,468 -0.242,469 -1.242,470 -1.929,472 -3.138,473 -1.242,474 9.467,475 0.473,476 0.733,477 0.037,478 24.25,479 1.213,480 12,481 0.6,482 12.25,483 0.613,484 17.451,485 0.873,486 23.533,487 0.619,488 18.084,489 0.904,490 4.175,491 0.209,492 5.179,493 0.259,494 0.246,495 0.088,496 0.296,501 0.295,502 1.432,503 0.819,504 1.371,505 0.548,506 1.104,507 0.424,508 1.21,509 0.731,510 0.986,511 0.387,512 0.994,513 0.738,514 1.131,515 1.051,516 1.134,517 0.575,518 0.941,519 1.121,520 1.244,521 1.568,522 1.592,523 1.137,524 1.107,525 1.549,526 0.768,527 1.084,528 0.769,529 1.628,530 0.937,531 0.777,532 0.937,533 0.685,534 0.78,535 0.773,536 0.985,537 0.898,538 1.082,539 0.834,540 0.99,541 0.778,542 1.219,543 1.678,544 0.576,545 0.979,546 0.563,547 1.774,548 0.916,549 5,551 3.556,552 3.063,553 1.551,554 0.833,555 0.389,556 0.17,557 0.041,559 2845,560 9064,561 1.899,562 47.4,563 2,564 6,569 10,572 1.629,573 1.702,574 2.706,575 -0.64,576 1,577 1,579 1,582 66.257,583 1.744,584 3.089,585 3.853,586 4.208,587 4.261,588 4.261,589 2.139,590 3.309,591 4.298,592 2.82,593 535.776,594 7.396,595 5362.37,596 1,597 1,598 1,599 1,600 199.421,601 1.788,602 4.189,603 0.238,605 0.115,606 0.087,607 0.042,608 0.03,609 0.019,610 0.011,611 0.014,613 0.556,614 0.67,615 1,616 0.953,617 85.329,618 0.277,619 -0.088,620 0.252,621 -0.062,622 -0.046,623 -0.005,624 0.306,625 -0.056,626 0.17,627 0.065,628 0.289,629 0.026,630 -0.031,631 0.005,632 0.123,633 0.052,634 0.044,635 0.097,636 -0.044,637 -0.157,638 -0.146,639 -0.274,640 -0.03,641 -0.082,642 -0.055,643 0.079,644 -0.187,645 0.049,646 -0.009,647 -0.06,648 -0.058,649 -0.039,650 -0.004,651 0.006,652 -0.09,653 -0.004,654 -0.104,655 -0.154,656 -0.153,657 -0.238,658 -0.051,659 -0.278,660 -0.347,661 0.082,662 -0.154,663 0.114,664 -0.353,665 -0.043,666 4.761,667 5.755,668 0.6,669 11.15,670 1.017,671 1.134,672 2.183,673 4.767,674 0.647,675 3.091,676 3.466,677 3.738,678 4.007,679 4.078,680 3.951,681 3.912,682 3.738,683 3.664,684 3.434,685 4.23,686 0.613,687 298.4,688 3.091,689 4.654,690 5.517,691 6.435,692 7.321,693 8.243,694 9.137,695 10.061,696 10.959,697 11.884,698 5.3,701 1,709 1,715 4,720 2,722 6,735 1,741 38,743 10,744 1,745 21,747 39,748 13,749 6,750 2,751 4,756 2,757 2,763 2,767 5,770 5,772 6,773 7,777 4,779 1,780 1,782 4,789 1,790 1,793 18,794 5,796 7,797 1,802 2,808 1,809 4,829 2,859 2,862 1,864 2,868 20,872 1,876 3,880 2,881 1,893 10.5,896 2,899 2,901 11.75,902 7.233,903 4.361,904 2.443,907 1.495,908 1.241,909 0.921,910 4.234,911 7.7,912 3.367,913 3.98,914 4.416,915 4.926,916 5.316,917 5.273,918 5.507,919 5.266,920 5.679,921 5.194,922 1,923 35,924 7.765,926 3.689,927 0.026,929 8.271,931 13.944,933 11.812,936 2.771,937 55.417,941 211.88,942 73.274,943 7.189,945 95.06,947 5.807,948 67.466,949 306.94,950 7.189,951 23.32,952 7.604,953 43.712,954 44.313,955 5.826,957 211.88,958 50.747,959 211.88,960 74.655,961 95.06,962 5.807,964 94.169,965 162.024,966 50.747,968 26.773,969 42.212,970 11.477,972 211.88,973 102.248,974 73.274,976 5.807,977 211.88,978 11.911,979 62.744,981 95.06,982 211.88,983 102.248,984 73.274,986 0.598,987 0.362,988 0.203,989 0.098,990 15,991 8,992 0.077,993 3,995 1,996 2.924,997 153.382,999 12,1000 76.439,1004 1,1005 15.11,1006 5.605,1007 2.783,1009 96.578,1010 5.521,1015 -0.58,1018 387.402,1019 28,1021 -0.647,1022 -3.844,1024 47.583,1031 38.658,1032 43.076,1034 0.332,1035 0.589,1036 0.734,1037 0.802,1038 0.812,1039 0.812,1040 4.64,1041 1,1042 5.587,1043 2.616,1044 4.143,1045 4.663,1046 2.527,1047 6.538,1048 4.054,1049 5.898,1050 -0.099,1051 7.253,1052 2.303,1053 4.111,1054 4.956,1055 2.361,1056 7.991,1057 3.917,1058 7.282,1059 -0.347,1060 9.047,1061 -0.259,1062 5.916,1063 7.016,1064 4.155,1065 11.132,1066 5.686,1067 8.714,1068 -0.539,1069 10.918,1070 -0.757,1071 6.686,1072 8.117,1073 4.506,1074 13.4,1075 6.331,1076 10.188,1077 -0.884,1078 12.839,1079 -1.353,1080 8.095,1081 9.805,1082 5.948,1083 16.192,1084 7.691,1085 11.691,1086 -1,1087 14.794,1088 -2,1089 9.18,1090 11.196,1091 6.556,1092 18.726,1093 8.66,1094 13.217,1095 -1,1096 16.773,1097 -2.154,1098 10.479,1099 12.788,1100 7.794,1101 21.428,1102 9.892,1103 3.611,1104 -1.242,1105 18.769,1106 -3,1107 11.682,1108 14.283,1109 8.548,1110 24.05,1111 10.991,1112 2.851,1113 14.441,1114 20.779,1115 -3.138,1116 12.955,1117 15.852,1118 9.67,1119 26.728,1120 12.186,1121 2.419,1122 9.729,1123 22.799,1124 4.822,1125 14.203,1126 17.387,1127 10.509,1128 29.381,1129 13.339,1130 1.879,1131 7.477,1132 24.826,1133 3.866,1134 15.475,1135 18.952,1136 11.563,1137 32.053,1138 14.527,1139 1.752,1140 5.104,1141 26.86,1142 2.868,1143 16.74,1144 20.505,1145 12.452,1146 34.716,1147 15.703,1148 1.327,1149 4.32,1150 28.898,1151 2.616,1152 18.015,1153 22.07,1154 13.468,1155 37.386,1156 16.892,1157 1.087,1158 3.082,1159 30.94,1160 1.879,1161 19.289,1162 23.632,1163 14.386,1164 40.054,1165 18.079,1166 3006,1167 5555,1168 12.83,1169 24.568,1170 32.126,1171 34.151,1172 34.3,1173 31.895,1174 31.851,1175 41.339,1176 6.025,1177 98.148,1178 30.64,1179 5.995,1180 6.76,1181 7.508,1182 5.592,1183 5.611,1184 7.822,1185 4.612,1186 23.096,1187 5.325,1188 12.352,1189 1.53,1190 1.626,1191 1.633,1192 1.519,1193 1.517,1194 1.969,1195 0.287,1196 4.674,1197 1.459,1198 4.136,1199 4.127,1200 4.747,1201 4.093,1202 7.815,1203 4.016,1204 3.865,1205 3.912,1206 3.847,1207 3.725,1208 7.714,1209 3.721,1210 3.591,1211 3.568,1212 3.648,1213 3.471,1214 6.999,1215 3.387,1216 3.447,1217 3.466,1218 3.412,1219 3.217,1220 6.999,1221 3.19,1222 3.367,1223 3.452,1224 3.151,1225 3.033,1226 4.663,1227 3.133,1228 3.138,1229 3.231,1230 2.9,1231 2.948,1232 4.336,1233 2.915,1234 2.748,1235 2.815,1236 2.596,1237 2.586,1238 3.903,1239 2.579,1240 2.679,1241 2.81,1242 2.338,1243 2.433,1244 3.661,1245 2.387,1246 0.238,1247 0.227,1248 0.373,1249 0.216,1250 0.172,1251 4.995,1252 0.23,1253 4.76,1254 0.124,1255 7.83,1256 0.688,1257 4.537,1258 0.158,1259 3.611,1260 4.822,1261 2.612,1262 14.441,1263 3.325,1264 2,1265 2.003,1266 2.071,1267 2.126,1268 1.456,1269 2.137,1270 1.837,1271 1.787,1272 1.986,1273 2.01,1274 1.158,1275 2.005,1276 1.405,1277 1.412,1278 1.733,1279 1.672,1280 0.97,1281 1.655,1282 1.382,1283 1.325,1284 1.578,1285 1.606,1286 0.797,1287 1.608,1288 1.195,1289 1.164,1290 1.283,1291 1.531,1292 0.516,1293 1.542,1294 1.154,1295 1.072,1296 1.209,1297 1.384,1298 0.398,1299 1.444,1300 0.737,1301 0.678,1302 1.149,1303 1.034,1304 0.213,1305 1.102,1306 0.734,1307 0.611,1308 0.958,1309 0.96,1310 0.11,1311 0.996,1312 3.761,1314 5.118,1316 6.691,1318 8.367,1320 10.097,1322 3.698,1328 2.541,1332 -0.271,1333 1.416,1340 23.304,1341 66.257,1342 117.363,1343 146.402,1344 159.911,1345 161.911,1346 161.911,1347 63.341,1348 6.205,1349 83.2,1350 91.58,1351 12,1352 12.394,1353 3.459,1354 3,1355 35.927,1356 49,1357 42,1358 0.372,1359 149.679,1360 262.95,1361 356.977,1362 3059,1364 14.914,1365 0.746,1366 0.617,1367 15.164,1368 12.338,1369 9.353,1370 0.445,1371 0.384,1372 6.655,1373 8.162,1374 6.34,1375 5.291,1376 10.142,1377 8.064,1378 9.031,1379 0.291,1380 0.226,1381 10.294,1382 7,1383 7.036,1384 0.172,1385 0.144,1386 8.407,1387 5.906,1388 6.277,1389 0.116,1390 0.09,1391 7.868,1392 4.854,1393 4.229,1394 0.073,1395 0.052,1396 5.386,1397 3.015,1398 0.541,1399 67.382,1400 0.279,1401 19.076,1402 1.168,1403 104,1404 367.093,1405 157.452,1406 366.272,1407 478.18,1408 330,1409 124,1410 321.103,1411 190.115,1412 353.111,1413 514.2,1414 329,1415 6.733}
{0 CHEMBL576004,1 1.588,2 7.625,3 4.656,4 21.682,5 97.123,6 8.602,7 0.407,8 3.842,9 3.947,10 3.539,11 3.501,12 4.873,13 3.453,14 4.424,15 4.576,16 3.956,17 3.958,18 5.441,19 3.883,20 4.737,21 4.918,22 4.105,23 4.138,24 5.779,25 4.044,26 4.808,27 5.04,28 4.027,29 4.119,30 5.7,31 4.006,32 4.748,33 4.958,34 4.015,35 4.094,36 5.71,37 3.991,38 4.791,39 5.009,40 4.11,41 4.087,42 5.838,43 3.964,44 4.728,45 4.936,46 3.973,47 3.967,48 5.823,49 3.802,50 4.489,51 4.753,52 3.677,53 3.63,54 5.538,55 3.393,56 0.018,57 0.562,58 6.899,59 3.748,60 4.727,61 4.898,62 0.123,63 0.97,64 17.047,65 7.274,66 18.567,67 9.608,68 0.32,69 1.316,70 25.515,71 9.69,72 46.7,73 12.564,74 0.265,75 1.424,76 29.719,77 10.936,78 31.728,79 14.868,80 0.216,81 1.359,82 24.084,83 9.532,84 26.469,85 12.608,86 0.265,87 1.28,88 29.346,89 11.322,90 44.643,91 14.863,92 0.438,93 1.112,94 34.5,95 10.486,96 67.772,97 12.657,98 0.399,99 0.76,100 39.16,101 9.995,102 57.491,103 12.59,104 20,105 40,106 0.278,107 0.673,108 0.846,109 0.891,110 0.891,111 0.891,112 3.231,113 1.012,114 -5.05,115 -4.95,116 -4.63,121 45.2,122 1,123 3,124 2,127 1,137 1,138 1,144 3,145 2,146 2,148 2,160 1,176 11,180 4,183 1,185 2,187 19,192 4,197 3,200 13,206 7,209 1,211 5,214 13,219 3,224 2,227 10,231 1,232 6,237 3,239 14,244 3,251 12,256 3,264 8,277 4,281 744,282 16.143,283 16.143,284 16.143,285 16.143,286 16.143,287 14.416,288 18.252,289 9.263,290 16.419,291 13.313,292 13.313,293 13.313,294 13.313,295 13.313,296 10.537,297 18.469,298 4.409,299 13.848,300 3.804,301 1.544,302 0.56,303 0.304,304 0.304,305 0.304,306 3.928,307 1,308 1,311 1,312 1,313 399,314 3.082,318 158.8,320 52.826,322 132.738,324 80.129,325 1.073,326 23.279,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 50.667,338 183,339 4.69,340 3.661,341 6.99,342 4.307,343 3.324,344 4.595,345 2.092,346 11.956,347 3.269,348 4.143,349 3.46,350 6.241,351 3.829,352 2.842,353 3.626,354 0.68,355 9.327,356 2.804,357 3.833,358 3.057,359 5.589,360 3.452,361 2.49,362 3.145,363 0.466,364 7.532,365 2.391,366 3.671,367 2.845,368 5.404,369 3.302,370 2.318,371 2.969,373 6.916,374 2.264,375 3.479,376 2.529,377 5.16,378 3.13,379 2.14,380 2.775,382 6.264,383 2.111,384 3.38,385 2.456,386 4.955,387 2.986,388 2.075,389 2.64,391 5.747,392 1.831,393 3.008,394 2.082,395 4.768,396 2.802,397 1.824,398 2.045,400 5.186,401 1.771,402 2.869,403 1.912,404 4.654,405 2.593,406 1.619,407 1.901,409 4.764,410 1.544,411 2.503,412 1.83,413 3.985,414 2.087,415 1.115,416 1.497,418 2.971,419 1.067,420 1.544,421 1.259,422 3.435,423 1.244,424 0.426,425 0.457,427 0.865,428 0.286,429 1.433,430 0.676,431 3.027,432 1.083,433 0.164,434 0.193,436 0.406,437 0.14,438 1.393,439 0.48,440 2.73,441 0.877,447 1.079,448 0.186,449 2.621,450 0.682,451 -0.225,452 -0.272,454 -0.567,455 -0.165,456 0.761,457 0.009,458 2.491,459 0.573,460 -0.398,461 -0.418,463 -1.016,464 -0.385,465 0.651,466 -0.023,467 2.339,468 0.342,469 -0.646,470 -0.829,472 -1.873,473 -0.611,474 12.062,475 0.503,476 0.712,477 0.03,478 28.25,479 1.177,480 13,481 0.542,482 15.25,483 0.635,484 24.04,485 1.002,486 25.138,487 0.599,488 18.555,489 0.773,490 4.903,491 0.204,492 6.643,493 0.277,494 0.188,496 0.415,501 0.577,502 1.11,503 0.544,504 0.822,505 0.52,506 0.824,507 0.588,508 1.117,509 0.716,510 0.932,511 0.525,512 0.913,513 0.79,514 1.156,515 0.768,516 1.016,517 0.832,518 1.036,519 0.559,520 1.052,521 0.631,522 0.897,523 0.447,524 0.906,525 0.854,526 1.042,527 0.664,528 0.887,529 0.751,530 0.972,531 0.77,532 1.059,533 0.654,534 0.931,535 1.002,536 0.936,537 1.671,538 0.957,539 1.326,540 1.078,541 1.945,542 1.152,543 1.299,544 0.746,545 1.644,546 1.118,547 1.134,548 0.996,549 6,551 2.222,552 2.188,553 1.742,554 1.271,555 0.686,556 0.613,557 0.213,558 0.067,559 5429,560 16284,561 2.11,562 42.9,563 9,564 6,567 1,568 2,572 1.68,573 1.946,574 2.914,575 -0.342,582 66.708,583 1.588,584 3.848,585 4.833,586 5.089,587 5.089,588 5.089,589 2.37,590 4.054,591 4.555,592 3.045,593 840.332,594 7.92,595 9409.2,597 1,600 226.477,601 1.483,602 4.504,603 0.222,605 0.056,606 0.051,607 0.042,608 0.033,609 0.018,610 0.024,611 0.013,612 0.013,613 0.472,614 0.67,615 1,616 1.195,617 109.789,618 -0.028,619 -0.001,620 0.011,621 0.035,622 -0.018,623 0.046,624 0.064,625 -0.067,626 -0.012,627 -0.027,628 0.071,629 0.007,630 0.028,631 -0.101,632 -0.056,633 -0.119,634 0.007,635 -0.12,636 0.084,637 -0.016,638 0.07,639 0.019,640 0.078,641 0.06,642 -0.095,643 0.044,644 -0.018,645 -0.007,646 -0.038,647 -0.055,648 0.138,649 -0.108,650 0.154,651 0.031,652 0.094,653 0.05,654 -0.249,655 -0.018,656 -0.155,657 -0.07,658 -0.292,659 -0.185,660 0.03,661 0.04,662 -0.007,663 0.045,664 0.085,665 0.119,666 1.855,667 5.014,668 0.708,669 16.75,670 1.003,671 1.115,672 3.817,673 14.571,674 0.715,675 3.332,676 3.714,677 4.025,678 4.407,679 4.762,680 4.99,681 5.165,682 5.389,683 5.438,684 5.505,685 4.806,686 0.67,687 361.29,688 3.332,689 4.905,690 5.784,691 6.706,692 7.61,693 8.543,694 9.459,695 10.396,696 11.317,697 12.257,698 4.8,705 1,708 1,714 2,715 3,716 1,720 4,722 11,740 1,741 42,743 13,744 1,745 27,747 45,748 19,749 9,750 3,751 3,754 1,756 4,757 10,758 2,763 2,767 3,768 2,770 3,772 12,773 7,774 2,777 2,782 1,784 1,786 2,790 1,793 18,794 3,795 1,796 5,797 2,802 2,808 0.25,809 1,822 1,829 4,831 1,833 2,835 1,843 1,849 1,850 1,859 1,864 1,865 2,868 24,876 4,877 1,880 2,892 2,893 2.4,896 1,901 12.333,902 7.902,903 5.139,904 2.638,907 2.837,908 1.365,909 1.009,910 4.115,911 10.609,912 3.57,913 4.212,914 4.804,915 5.463,916 6.12,917 6.578,918 7.013,919 7.502,920 7.844,921 8.03,922 1,923 43,924 8.909,926 3.925,927 0.026,929 7.697,931 17.305,933 15.147,936 2.197,937 52.722,940 1,941 200.109,942 81.99,943 34.796,944 78.297,945 25.145,948 81.99,949 303.551,950 34.796,951 8.825,952 28.464,953 37.905,954 46.635,955 20.102,957 239.257,958 39.149,959 200.109,960 116.787,961 25.145,962 78.297,964 200.109,965 25.145,968 42.19,969 48.335,970 104.559,972 200.109,973 59.941,974 160.288,977 200.109,978 35.26,979 46.73,980 18.011,981 120.228,982 200.109,983 59.941,984 160.288,986 0.592,987 0.342,988 0.196,989 0.124,990 22,991 10,992 0.022,993 1,994 4,995 1.412,996 3.433,997 216.047,998 0.471,999 16,1000 110.039,1005 16.075,1006 6.143,1007 2.89,1008 1.758,1009 59.941,1010 5.636,1011 4.88,1015 3.79,1017 18.011,1018 420.338,1019 34.5,1024 12.014,1026 2.375,1028 1.235,1031 42.131,1032 46.831,1034 0.295,1035 0.714,1036 0.896,1037 0.944,1038 0.944,1039 0.944,1040 4.85,1041 1.619,1042 5.802,1043 5.186,1044 4.394,1045 4.898,1046 2.312,1047 6.673,1048 4.328,1049 6.08,1050 1.115,1051 7.392,1052 4.764,1053 4.111,1054 4.879,1055 1.593,1056 7.647,1057 4.027,1058 7.415,1059 0.426,1060 9.076,1061 2.971,1062 6.043,1063 7.144,1064 3.367,1065 10.805,1066 5.941,1067 8.779,1068 0.164,1069 10.816,1070 0.865,1071 6.509,1072 7.908,1073 3.32,1074 12.615,1075 6.392,1076 10.172,1078 12.593,1079 0.406,1080 7.967,1081 9.717,1082 4.674,1083 15.321,1084 7.84,1085 11.587,1086 -0.225,1087 14.398,1089 8.805,1090 10.87,1091 4.943,1092 17.517,1093 8.665,1094 13.021,1095 -0.398,1096 16.225,1097 -0.567,1098 10.079,1099 12.502,1100 6.06,1101 20.066,1102 9.93,1103 3.324,1104 -0.646,1105 18.071,1106 -1.016,1107 11.103,1108 13.851,1109 6.506,1110 22.428,1111 10.94,1112 2.842,1113 11.956,1114 19.933,1115 -1.873,1116 12.31,1117 15.412,1118 7.482,1119 24.926,1120 12.136,1121 2.49,1122 9.327,1123 21.807,1124 4.595,1125 13.422,1126 16.854,1127 8.035,1128 27.355,1129 13.234,1130 2.318,1131 7.532,1132 23.693,1133 3.626,1134 14.61,1135 18.389,1136 8.923,1137 29.837,1138 14.408,1139 2.14,1140 6.916,1141 25.588,1142 3.145,1143 15.764,1144 19.874,1145 9.544,1146 32.295,1147 15.547,1148 2.075,1149 6.264,1150 27.49,1151 2.969,1152 16.949,1153 21.4,1154 10.377,1155 34.773,1156 16.717,1157 1.824,1158 5.747,1159 29.399,1160 2.775,1161 18.123,1162 22.906,1163 11.04,1164 37.243,1165 17.875,1166 5258,1167 9218,1168 17.918,1169 30.034,1170 41.227,1171 43.25,1172 43.233,1173 40.772,1174 40.671,1175 51.686,1176 6.477,1177 123.871,1178 38.959,1179 5.644,1180 5.661,1181 6.541,1182 5.35,1183 5.324,1184 7.595,1185 3.76,1186 19.533,1187 5.269,1188 12.242,1189 1.527,1190 1.602,1191 1.601,1192 1.51,1193 1.506,1194 1.914,1195 0.24,1196 4.588,1197 1.443,1198 4.14,1199 4.167,1200 4.142,1201 4.073,1202 7.429,1203 4.076,1204 3.874,1205 3.907,1206 3.87,1207 3.813,1208 5.036,1209 3.802,1210 3.586,1211 3.615,1212 3.8,1213 3.425,1214 4.699,1215 3.429,1216 3.446,1217 3.494,1218 3.574,1219 3.321,1220 4.654,1221 3.32,1222 3.215,1223 3.267,1224 3.209,1225 3.108,1226 4.43,1227 3.089,1228 3.138,1229 3.215,1230 3.121,1231 2.988,1232 4.114,1233 2.973,1234 2.953,1235 3.017,1236 2.965,1237 2.827,1238 3.981,1239 2.817,1240 2.722,1241 2.808,1242 2.902,1243 2.603,1244 3.765,1245 2.582,1246 0.174,1247 0.136,1248 0.259,1249 0.16,1250 0.123,1251 4.69,1252 0.17,1253 3.661,1254 0.077,1255 6.99,1256 0.443,1257 4.307,1258 0.121,1259 3.324,1260 4.595,1261 2.092,1262 11.956,1263 3.269,1264 2.097,1265 2.073,1266 2.186,1267 2.181,1268 1.535,1269 2.184,1270 1.881,1271 1.85,1272 1.997,1273 1.969,1274 1.182,1275 1.986,1276 1.501,1277 1.468,1278 1.692,1279 1.706,1280 0.918,1281 1.69,1282 1.421,1283 1.376,1284 1.594,1285 1.595,1286 0.785,1287 1.627,1288 1.218,1289 1.169,1290 1.481,1291 1.376,1292 0.736,1293 1.416,1294 1.145,1295 1.074,1296 1.367,1297 1.336,1298 0.585,1299 1.362,1300 0.942,1301 0.887,1302 1.185,1303 1.127,1304 0.382,1305 1.152,1306 0.739,1307 0.67,1308 1.146,1309 1.001,1310 0.231,1311 1.063,1312 4.007,1314 5.371,1316 6.94,1318 8.619,1320 10.36,1322 2.19,1323 11.876,1328 2.997,1329 3.027,1332 0.943,1340 28.154,1341 66.708,1342 161.617,1343 202.968,1344 213.722,1345 213.722,1346 213.722,1347 38.824,1348 7.771,1349 41.99,1350 41.99,1351 24,1352 12.756,1353 3.807,1354 3.087,1355 33.433,1356 68,1357 72,1358 0.248,1359 177.21,1360 308.75,1361 424.153,1362 22945,1363 4.8,1364 16.845,1365 0.702,1366 0.621,1367 17.845,1368 14.916,1369 11.546,1370 0.428,1371 0.337,1372 8.227,1373 10.731,1374 7.898,1375 6.469,1376 12.188,1377 9.112,1378 11.002,1379 0.275,1380 0.188,1381 11.615,1382 7.508,1383 9.126,1384 0.166,1385 0.099,1386 9.737,1387 5.468,1388 8.226,1389 0.102,1390 0.055,1391 8.544,1392 4.426,1393 7.218,1394 0.062,1395 0.029,1396 7.546,1397 3.417,1398 0.366,1399 77.735,1400 0.236,1401 22.454,1402 0.763,1403 134,1404 348.12,1405 167.457,1406 400.4,1407 529.19,1408 374,1409 162,1410 342.001,1411 186.696,1412 365.71,1413 540.71,1414 344,1415 5.6}
{0 CHEMBL576005,1 1.565,2 4.083,3 1.567,4 2.456,5 49.607,6 6.598,8 3.418,9 3.539,10 3.164,11 2.939,12 4.195,13 2.82,14 4.078,15 4.288,16 3.351,17 3.317,18 5.255,19 3.184,20 4.384,21 4.633,22 3.419,23 3.538,24 5.248,25 3.359,26 4.452,27 4.681,28 3.298,29 3.582,30 5.463,31 3.37,32 4.525,33 4.809,34 2.375,35 3.264,36 5.579,37 2.984,38 4.024,39 4.469,40 0.802,41 2.397,42 4.483,43 1.888,44 1.844,45 2.277,46 0.042,47 0.626,48 1.946,49 0.348,56 0.07,57 0.417,58 10.925,59 3.192,60 11.609,61 4.249,62 0.294,63 0.65,64 17.55,65 5.218,66 47.702,67 6.997,68 0.298,69 0.805,70 23.538,71 6.73,72 41.594,73 8.902,74 0.212,75 0.812,76 28.353,77 8.426,78 43.294,79 10.257,80 0.465,81 0.618,82 24.194,83 6.298,84 87.222,85 8.799,86 0.227,87 0.273,88 13.544,89 3.239,90 33.941,91 4.924,92 0.018,93 0.025,94 1.299,95 0.312,96 2.333,97 0.481,104 27,105 18,106 0.316,107 0.422,108 0.662,109 0.7,110 0.7,111 0.7,112 2.601,113 1.565,114 -1.95,115 -2.01,116 -2.01,121 27.6,122 2,123 3,126 1,129 2,176 2,179 3,180 4,187 3,192 1,200 2,206 8,214 3,219 2,281 116,282 7.162,283 7.162,284 7.162,285 7.162,286 7.162,287 6.808,288 11.168,289 4.039,290 7.318,291 5.889,292 5.889,293 5.889,294 5.889,295 5.889,296 5.29,297 20.073,298 1.868,299 6.165,300 3.293,301 2.767,302 1.578,303 1.388,304 1.388,305 1.388,306 3.178,311 1,312 1,313 92,314 2.739,318 38.571,325 0.611,326 17.332,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 26.5,338 49,339 4.789,340 4.393,341 7.365,342 4.364,343 3.424,344 4.528,345 0.4,346 12.698,347 3.202,348 3.623,349 2.941,350 5.625,351 3.392,352 2.44,353 2.667,355 7.293,356 2.31,357 2.879,358 1.96,359 4.841,360 2.861,361 1.879,362 1.879,364 5.104,365 1.844,366 2.293,367 1.417,368 3.877,369 2.23,370 1.253,371 1.279,373 2.928,374 1.22,375 1,376 0.621,377 2.945,378 0.891,379 -0.086,380 -0.089,382 -0.224,383 -0.083,384 1,385 -0.117,386 2.352,387 0.648,388 -0.347,389 -0.347,391 -0.757,392 -0.345,393 0.653,394 -0.322,395 2,397 -1,398 -1.2,400 -3,401 -0.782,402 0.28,403 -1,404 2,405 -0.2,406 -1,407 -1.256,409 -3,410 -1,411 -0.241,412 -1.242,413 2,414 -0.245,415 -1.243,416 -1.532,418 -3.138,419 -1.242,420 -0.532,421 -1.328,422 1.353,423 -0.572,424 -1.532,425 -1.93,427 -3.788,428 -1.456,429 -0.743,430 -1.664,431 1.188,432 -0.83,433 -1.789,434 -2,436 -6.559,437 -1.724,438 -1,439 -1.91,440 0.454,441 -1.037,442 -2,443 -2,444 -0.4,445 -7.557,446 -1.942,474 5.9,475 0.492,476 0.573,477 0.048,478 10,479 0.833,480 3,481 0.25,482 7,483 0.583,484 12.162,485 1.014,486 15.7,487 0.541,488 5.102,489 0.425,490 1.261,491 0.105,492 4.166,493 0.347,494 0.367,495 0.141,496 0.237,501 0.394,502 1.86,503 0.971,504 1.658,505 0.653,506 1.373,507 0.514,508 1.362,509 1.009,510 1.182,511 0.408,512 1.083,513 1.244,514 0.849,515 1.07,516 0.858,517 1.013,518 0.947,519 1.002,520 1.348,521 1.53,522 1.591,523 0.953,524 1.305,525 1.702,526 0.924,527 1.033,528 0.879,529 1.896,530 1.161,531 0.471,532 0.16,533 0.213,534 0.14,535 0.521,536 0.234,549 4,551 2,552 1.938,553 0.471,554 0.188,559 598,560 1528,561 1.757,562 58.6,563 2,564 5,569 10,572 1.468,573 1.548,574 2.108,575 -0.646,579 1,582 45.395,583 1.565,584 2.091,585 3.28,586 3.47,587 3.47,588 3.47,589 1.555,590 1.73,591 3.563,592 2.161,593 142.61,594 5.905,595 1051.02,597 1,600 140.881,601 1.825,602 3.407,603 0.333,605 0.111,606 0.114,607 0.029,608 0.063,613 0.65,614 1,615 1,616 1.124,617 40.49,618 0.212,619 -0.336,620 0.333,621 -0.149,622 -0.148,623 -0.033,624 0.376,625 -0.146,626 0.056,627 -0.062,628 0.352,629 0.003,630 -0.218,631 0.266,632 -0.048,633 0.147,634 -0.121,635 0.042,636 -0.076,637 -0.233,638 -0.265,639 -0.317,640 0.032,641 -0.214,642 -0.307,643 -0.179,644 -0.286,645 -0.165,646 -0.3,647 -0.325,648 0.127,649 0.278,650 0.362,651 0.351,652 0.045,653 0.448,654 0.288,655 0.38,656 0.55,657 0.466,658 0.172,659 0.661,666 3.908,667 4.333,668 0.5,669 4.444,670 0.997,671 1.143,672 0.725,673 0.525,674 0.609,675 2.565,676 2.944,677 3.045,678 3.258,679 2.944,680 2.639,681 2.197,682 1.946,685 2.934,686 0.547,687 191.33,688 2.565,689 4.111,690 4.92,691 5.832,692 6.655,693 7.569,694 8.397,695 9.309,696 10.139,697 11.051,698 3.4,701 1,741 29,743 2,745 12,747 29,748 8,756 1,757 1,763 2,767 5,770 5,773 8,777 2,780 1,782 2,790 1,793 17,794 3,796 4,797 1,802 1,808 1,809 2,829 1,859 1,862 1,864 3,868 12,872 1,876 3,880 2,881 1,893 6.9,896 2,901 7.75,902 5.867,903 2.556,904 1.889,907 0.245,908 1.05,909 0.881,910 2.791,911 5.136,912 2.708,913 3.258,914 3.219,915 3.526,916 3.135,917 2.89,918 2.565,919 2.398,922 0.667,923 17,924 4.619,925 0.006,926 2.04,927 0.026,929 8.007,931 8.81,932 0.002,933 7.464,934 0.004,936 2.507,937 30.083,938 0.015,941 200.109,942 38.252,943 1.519,945 44.313,947 5.807,948 32.444,949 244.422,950 1.519,951 24.841,952 7.604,953 5.807,954 44.313,955 1.519,957 200.109,959 200.109,960 33.963,961 44.313,962 5.807,964 82.398,965 162.024,968 26.773,969 7.19,970 5.807,972 200.109,973 45.832,974 38.252,976 5.807,977 200.109,978 7.604,979 26.359,981 44.313,982 200.109,983 45.832,984 38.252,986 0.61,987 0.33,988 0.177,989 0.056,990 9,991 5,992 0.034,993 1,995 1,996 2.161,997 67.315,999 6,1000 35.02,1004 1,1005 10.006,1006 3.348,1007 2.213,1009 45.832,1018 284.192,1019 14,1022 -2.991,1024 22.666,1031 28.902,1032 33.159,1034 0.322,1035 0.43,1036 0.675,1037 0.714,1038 0.714,1039 0.714,1040 4.007,1041 -1,1042 5.043,1043 -3,1044 3.611,1045 3.932,1046 0.278,1047 5.974,1048 3.515,1049 5.273,1050 -1.243,1051 6.706,1052 -3,1053 3.761,1054 4.511,1056 7.462,1057 3.563,1058 6.683,1059 -1.532,1060 8.493,1061 -3.138,1062 5.416,1063 6.297,1064 0.05,1065 10.468,1066 5.191,1067 8.133,1068 -1.789,1069 10.349,1070 -3.788,1071 6.256,1072 7.581,1074 12.664,1075 5.923,1076 9.618,1077 -2,1078 12.248,1079 -6.559,1080 7.594,1081 9.13,1082 0.008,1083 15.348,1084 7.221,1085 11.126,1087 14.175,1088 -7.557,1089 8.684,1090 10.589,1092 17.776,1093 8.219,1094 12.65,1096 16.12,1098 9.939,1099 12.101,1100 0.001,1101 20.364,1102 9.418,1103 3.424,1105 18.08,1107 11.117,1108 13.599,1110 22.868,1111 10.517,1112 2.44,1113 12.698,1114 20.049,1116 12.35,1117 15.108,1119 25.425,1120 11.688,1121 1.879,1122 7.293,1123 22.025,1124 4.528,1125 13.561,1126 16.615,1128 27.954,1129 12.825,1130 1.253,1131 5.104,1132 24.007,1133 2.667,1134 14.79,1135 18.125,1137 30.501,1138 13.989,1139 -0.086,1140 2.928,1141 25.992,1142 1.879,1143 16.012,1144 19.634,1146 33.038,1147 15.142,1148 -0.347,1149 -0.224,1150 27.981,1151 1.279,1152 17.241,1153 21.144,1155 35.581,1156 16.304,1157 -1,1158 -0.757,1159 29.971,1160 -0.089,1161 18.468,1162 22.654,1164 38.121,1165 17.463,1166 726,1167 1250,1168 6.762,1169 17.654,1170 17.833,1171 19.539,1172 19.415,1173 18.027,1174 17.993,1175 20.707,1176 0.8,1177 56.046,1178 17.151,1179 5.789,1180 6.303,1181 6.911,1182 5.4,1183 5.424,1184 6.528,1185 0.8,1186 20.255,1187 5.144,1188 7.584,1189 1.486,1190 1.628,1191 1.618,1192 1.502,1193 1.499,1194 1.726,1195 0.067,1196 4.671,1197 1.429,1198 4.044,1199 4.046,1200 4.723,1201 3.985,1202 7.716,1203 3.881,1204 3.689,1205 3.694,1206 3.655,1207 3.601,1208 6.999,1209 3.53,1210 3.367,1211 3.452,1212 3.151,1213 3.217,1214 4.342,1215 3.19,1216 3.148,1217 3.25,1218 2.902,1219 2.955,1220 3.903,1221 2.924,1222 2.698,1223 2.81,1224 2.395,1225 2.433,1226 3.682,1227 2.387,1228 2.679,1229 2.802,1230 2.32,1231 2.396,1232 3.625,1233 2.353,1234 2.369,1235 2.479,1236 2.086,1237 2.044,1238 3.06,1239 2.017,1240 1.893,1241 2.076,1242 1.385,1243 1.492,1244 3.015,1245 1.436,1246 0.399,1247 0.366,1248 0.614,1249 0.364,1250 0.285,1251 4.789,1252 0.377,1253 4.393,1254 0.033,1255 7.365,1256 1.058,1257 4.364,1258 0.267,1259 3.424,1260 4.528,1261 0.4,1262 12.698,1263 3.202,1264 1.914,1265 1.894,1266 2.068,1267 2.067,1268 1.453,1269 2.101,1270 1.588,1271 1.595,1272 1.733,1273 1.73,1274 0.97,1275 1.806,1276 1.405,1277 1.325,1278 1.611,1279 1.606,1280 0.966,1281 1.655,1282 1.183,1283 1.086,1284 1.558,1285 1.428,1286 0.73,1287 1.483,1288 0.737,1289 0.611,1290 1.209,1291 1.034,1292 0.398,1293 1.102,1294 0.647,1295 0.553,1296 0.947,1297 0.997,1298 0.168,1299 1.04,1300 0.329,1301 0.223,1302 0.63,1303 0.7,1305 0.745,1308 0.497,1309 0.377,1311 0.45,1312 3.219,1314 4.575,1316 6.125,1318 7.77,1320 9.462,1322 5.263,1328 3.142,1332 0.368,1333 1.635,1340 15.853,1341 45.395,1342 60.64,1343 95.107,1344 100.617,1345 100.617,1346 100.617,1347 29.082,1348 4.89,1349 37.38,1350 45.76,1351 6,1352 11.581,1353 1.585,1354 1.585,1355 21.586,1356 20,1357 14,1358 0.588,1359 106.033,1360 181.69,1361 250.482,1362 480,1364 9.353,1365 0.779,1366 0.73,1367 9.603,1368 8.764,1369 5.427,1370 0.452,1371 0.522,1372 4.523,1373 4.485,1374 4.124,1375 3.483,1376 6.321,1377 6.26,1378 5.777,1379 0.321,1380 0.312,1381 7.127,1382 5.61,1383 3.545,1384 0.177,1385 0.199,1386 4.33,1387 3.981,1388 3.389,1389 0.136,1390 0.143,1391 4.326,1392 3.57,1393 1.454,1394 0.081,1395 0.083,1396 1.763,1397 1.499,1398 0.807,1399 42.98,1400 0.385,1401 11.586,1402 2.007,1403 60,1404 175.977,1405 100.595,1406 185.588,1407 239.48,1408 166,1409 68,1410 145.709,1411 117.838,1412 178.538,1413 251.8,1414 164,1415 7.125}
{0 CHEMBL576189,1 1.425,2 8.318,3 3.103,4 9.628,5 86.013,6 6.87,7 0.385,8 3.882,9 4.006,10 3.411,11 3.458,12 4.818,13 3.422,14 4.484,15 4.661,16 3.819,17 3.915,18 5.354,19 3.846,20 4.767,21 4.991,22 3.888,23 4.049,24 5.619,25 3.952,26 4.824,27 5.075,28 3.83,29 3.993,30 5.691,31 3.894,32 4.693,33 4.93,34 3.592,35 3.855,36 5.563,37 3.744,38 4.583,39 4.86,40 3.454,41 3.684,42 5.411,43 3.565,44 4.291,45 4.518,46 3.113,47 3.475,48 5.179,49 3.348,50 4.203,51 4.488,52 2.818,53 3.361,54 4.789,55 3.164,56 0.042,57 0.651,58 9.95,59 4.232,60 6.781,61 5.809,62 0.179,63 1.107,64 19.085,65 7.842,66 14.728,67 11.02,68 0.205,69 1.41,70 26.282,71 9.907,72 23.566,73 14.229,74 0.347,75 1.426,76 28.876,77 9.573,78 33.95,79 14.107,80 0.312,81 1.267,82 25.31,83 7.786,84 29.937,85 11.55,86 0.237,87 1.091,88 22.963,89 7.242,90 26.231,91 10.953,92 0.231,93 0.839,94 16.836,95 5.262,96 24.937,97 7.667,98 0.113,99 0.72,100 15.286,101 5.912,102 12.307,103 8.658,104 5,105 40,106 0.249,107 0.566,108 0.754,109 0.847,110 0.847,111 0.847,112 3.149,113 0.975,114 -4.67,115 -4.59,116 -4.31,121 41.9,122 1,123 6,124 3,137 1,138 1,145 1,146 1,148 2,163 2,165 1,166 1,167 1,176 13,179 2,180 4,185 1,187 15,189 1,191 1,192 7,194 1,195 1,197 1,200 9,203 1,206 9,208 2,209 2,211 3,214 5,216 3,219 8,224 3,227 1,229 3,232 7,237 4,239 4,241 4,244 3,249 1,251 8,253 1,256 1,264 10,277 8,281 472,282 15.066,283 15.066,284 15.066,285 15.066,286 15.066,287 13.648,288 16.73,289 8.506,290 15.18,291 12.888,292 12.888,293 12.888,294 12.888,295 12.888,296 10.608,297 14.086,298 4.106,299 13.104,300 4.001,301 2.182,302 1.105,303 0.576,304 0.576,305 0.576,306 3.86,310 1,311 1,312 1,313 425,314 2.236,316 37.521,317 31.662,318 108.926,320 51.212,321 53.69,322 57.525,324 73.33,325 1.347,326 18.227,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 46.5,338 183,339 4.703,340 3.501,341 6.95,342 4.303,343 3.323,344 4.631,345 0.68,346 11.731,347 3.256,348 4.219,349 3.173,350 6.364,351 3.952,352 2.967,353 3.679,355 9.803,356 2.921,357 3.879,358 2.897,359 5.993,360 3.653,361 2.661,362 3.132,364 8.491,365 2.638,366 3.645,367 2.551,368 5.511,369 3.315,370 2.324,371 2.881,373 7.27,374 2.303,375 3.475,376 2.483,377 5.356,378 3.17,379 2.193,380 2.813,382 6.734,383 2.144,384 2.991,385 2.06,386 4.98,387 2.812,388 1.838,389 2.016,391 5.53,392 1.785,393 2.944,394 1.884,395 4.671,396 2.728,397 1.738,398 1.984,400 4.938,401 1.719,402 2.767,403 1.576,404 4.422,405 2.479,406 1.504,407 1.809,409 4.234,410 1.463,411 2.183,412 0.912,413 3.905,414 1.746,415 0.795,416 1.07,418 2.368,419 0.754,420 1.473,421 0.475,422 3.273,423 1.344,424 0.354,425 0.384,427 0.88,428 0.35,429 1.285,430 0.368,431 3,432 1.071,433 0.092,434 0.103,436 0.266,437 0.09,438 1.17,439 0.009,440 2.891,441 1,447 1,449 2.618,450 0.842,451 -0.113,452 -0.136,454 -0.33,455 -0.107,456 0.645,457 -0.01,458 2.587,459 0.591,460 -0.402,461 -0.418,463 -1.028,464 -0.4,465 0.614,466 -0.591,467 2.426,468 0.218,469 -0.759,470 -0.947,472 -2.299,473 -0.738,474 10.533,475 0.479,476 0.657,477 0.03,478 24.25,479 1.102,480 9.5,481 0.432,482 14.75,483 0.67,484 22.06,485 1.003,486 23.667,487 0.55,488 13.621,489 0.619,490 3.717,491 0.169,492 6.97,493 0.317,494 0.085,496 0.475,501 0.893,502 1.168,503 0.838,504 1.033,505 0.985,506 0.942,507 0.58,508 1.161,509 0.818,510 1.085,511 0.513,512 0.999,513 0.821,514 1.166,515 0.915,516 1.11,517 0.817,518 1.039,519 1.219,520 1.011,521 0.941,522 0.913,523 1.112,524 0.899,525 1.794,526 1.093,527 1.317,528 1.031,529 1.868,530 1.102,531 1.283,532 0.946,533 0.961,534 0.855,535 1.266,536 0.86,537 2.005,538 1.021,539 1.525,540 1.089,541 2.188,542 1.223,543 0.608,544 0.867,545 1.041,546 1.045,547 0.663,548 1.079,549 5,550 0.025,551 2.111,552 2.194,553 1.721,554 0.733,555 0.435,556 0.212,557 0.106,558 0.065,559 5123,560 9251,561 2.258,562 48.8,563 15,564 1,567 2,568 3,572 1.648,573 2.129,574 3.035,575 0.259,576 1,577 1,579 1,582 61.277,583 1.425,584 3.245,585 4.321,586 4.851,587 4.851,588 4.851,589 2.534,590 4.096,591 4.43,592 3.127,593 722.433,594 7.628,595 7421.56,597 1,599 1,600 233.329,601 1.349,602 4.401,603 0.192,604 0.006,605 0.056,606 0.056,607 0.048,608 0.027,609 0.018,610 0.013,611 0.009,612 0.008,613 0.434,614 0.5,615 0.88,616 0.517,617 98.179,618 -0.033,619 0.02,620 0.079,621 0.056,622 -0.027,623 0.08,624 0.275,625 -0.084,626 0.117,627 -0.027,628 0.244,629 0.017,630 0.105,631 -0.14,632 0.046,633 -0.109,634 0.09,635 -0.052,636 0.035,637 -0.011,638 0.066,639 0.033,640 0.081,641 0.048,642 -0.329,643 -0.04,644 -0.298,645 -0.112,646 -0.41,647 -0.187,648 -0.099,649 0.034,650 0.051,651 0.066,652 -0.05,653 0.078,654 -0.467,655 0.044,656 -0.51,657 -0.164,658 -0.523,659 -0.311,660 -0.038,661 0.051,662 -0.098,663 -0.05,664 -0.009,665 -0.071,666 1.015,667 2.512,668 0.909,669 14.719,670 0.99,671 1.127,672 3.439,673 11.825,674 0.659,675 3.296,676 3.714,677 4.078,678 4.419,679 4.718,680 4.963,681 5.165,682 5.389,683 5.468,684 5.606,685 4.819,686 0.617,687 295.42,688 3.296,689 4.89,690 5.796,691 6.73,692 7.648,693 8.587,694 9.51,695 10.451,696 11.377,697 12.319,698 7,702 1,708 2,714 2,716 2,718 1,720 4,722 10,733 1,741 43,743 11,745 26,747 47,748 18,749 6,756 5,757 11,763 1,767 6,768 3,770 6,772 8,773 10,774 3,777 1,784 1,786 1,789 1,790 1,793 21,794 4,795 2,796 4,802 3,808 0.4,809 1,813 1,822 1,827 1,828 1,829 3,831 1,832 1,833 1,835 1,849 1,850 1,859 2,864 1,868 22,869 1,876 6,880 3,893 2.3,898 1,901 10.333,902 7.983,903 4.5,904 2.978,907 2.451,908 1.311,909 1.046,910 2.655,911 10.322,912 3.497,913 4.163,914 4.801,915 5.45,916 6.024,917 6.527,918 6.995,919 7.466,920 7.711,921 7.995,922 0.833,923 39,924 8.218,926 3.746,927 0.026,929 7.417,931 16.523,933 15.295,936 1.917,937 42.167,938 0.001,940 1,941 223.651,942 56.965,943 66.468,945 9.507,948 56.965,949 233.158,950 66.468,951 8.825,952 15.207,953 42.373,954 42.998,955 23.536,957 223.651,959 223.651,960 123.433,961 9.507,964 223.651,965 9.507,968 38.361,969 42.025,970 43.047,972 223.651,973 75.976,974 56.965,977 223.651,978 38.663,979 18.301,981 75.976,982 223.651,983 75.976,984 56.965,986 0.605,987 0.363,988 0.2,989 0.111,990 25,991 10,992 0.021,993 1,994 4,995 1.35,996 3.462,997 198.13,998 0.4,999 19,1000 96.107,1005 12.981,1006 4.499,1007 1.875,1008 1.449,1009 75.976,1011 9.506,1013 5.945,1015 4.073,1017 32.897,1018 356.591,1019 32,1026 2.418,1028 1.488,1031 42.585,1032 48.441,1034 0.263,1035 0.598,1036 0.796,1037 0.894,1038 0.894,1039 0.894,1040 4.808,1041 1.504,1042 5.82,1043 4.938,1044 4.394,1045 4.848,1046 0.655,1047 6.715,1048 4.36,1049 6.035,1050 0.795,1051 7.425,1052 4.234,1053 4.111,1054 4.832,1056 7.703,1057 4.06,1058 7.381,1059 0.354,1060 9.124,1061 2.368,1062 6.089,1063 7.111,1064 0.356,1065 10.873,1066 6.023,1067 8.756,1068 0.092,1069 10.879,1070 0.88,1071 6.581,1072 7.925,1074 12.673,1075 6.493,1076 10.162,1078 12.668,1079 0.266,1080 8.052,1081 9.72,1082 0.18,1083 15.362,1084 7.951,1085 11.591,1086 -0.113,1087 14.481,1089 8.91,1090 10.922,1092 17.523,1093 8.785,1094 13.037,1095 -0.402,1096 16.314,1097 -0.33,1098 10.188,1099 12.541,1100 0.087,1101 20.048,1102 10.047,1103 3.323,1104 -0.759,1105 18.161,1106 -1.028,1107 11.219,1108 13.924,1110 22.37,1111 11.054,1112 2.967,1113 11.731,1114 20.02,1115 -2.299,1116 12.425,1117 15.479,1118 0.041,1119 24.84,1120 12.242,1121 2.661,1122 9.803,1123 21.89,1124 4.631,1125 13.537,1126 16.943,1128 27.233,1129 13.331,1130 2.324,1131 8.491,1132 23.768,1133 3.679,1134 14.72,1135 18.479,1136 0.019,1137 29.687,1138 14.494,1139 2.193,1140 7.27,1141 25.654,1142 3.132,1143 15.869,1144 19.979,1146 32.112,1147 15.621,1148 1.838,1149 6.734,1150 27.546,1151 2.881,1152 17.048,1153 21.508,1154 0.009,1155 34.563,1156 16.779,1157 1.738,1158 5.53,1159 29.443,1160 2.813,1161 18.216,1162 23.025,1164 37.005,1165 17.925,1166 4635,1167 6362,1168 17.918,1169 28.324,1170 40.05,1171 39.973,1172 41.311,1173 39.607,1174 39.578,1175 49.003,1176 1.36,1177 124.488,1178 38.844,1179 5.703,1180 5.501,1181 6.568,1182 5.353,1183 5.323,1184 7.631,1185 1.36,1186 19.322,1187 5.256,1188 7.85,1189 1.54,1190 1.537,1191 1.589,1192 1.523,1193 1.522,1194 1.885,1195 0.052,1196 4.788,1197 1.494,1198 4.148,1199 4.175,1200 4.117,1201 4.031,1202 5.292,1203 4.043,1204 3.918,1205 3.958,1206 3.827,1207 3.81,1208 4.946,1209 3.809,1210 3.754,1211 3.802,1212 3.644,1213 3.64,1214 4.539,1215 3.639,1216 3.384,1217 3.441,1218 3.271,1219 3.245,1220 4.32,1221 3.242,1222 3.226,1223 3.294,1224 3.099,1225 3.066,1226 4.125,1227 3.063,1228 3.07,1229 3.155,1230 2.892,1231 2.873,1232 3.861,1233 2.871,1234 2.91,1235 3.012,1236 2.763,1237 2.632,1238 3.702,1239 2.655,1240 2.659,1241 2.784,1242 2.364,1243 2.426,1244 3.535,1245 2.384,1246 0.181,1247 0.135,1248 0.267,1249 0.165,1250 0.128,1251 4.703,1252 0.178,1253 3.501,1254 0.026,1255 6.95,1256 0.451,1257 4.303,1258 0.125,1259 3.323,1260 4.631,1261 0.68,1262 11.731,1263 3.256,1264 2.037,1265 2.007,1266 2.16,1267 2.139,1268 1.525,1269 2.146,1270 1.888,1271 1.841,1272 2.092,1273 2.03,1274 1.491,1275 2.052,1276 1.701,1277 1.669,1278 1.805,1279 1.844,1280 0.958,1281 1.835,1282 1.344,1283 1.279,1284 1.608,1285 1.533,1286 0.871,1287 1.566,1288 1.199,1289 1.146,1290 1.485,1291 1.461,1292 0.717,1293 1.441,1294 1.079,1295 1.039,1296 1.235,1297 1.34,1298 0.416,1299 1.337,1300 0.844,1301 0.793,1302 1.174,1303 1.178,1304 0.369,1305 1.17,1306 0.779,1307 0.657,1308 1.114,1309 1.043,1310 0.325,1311 1.079,1312 3.97,1314 5.398,1315 2.398,1316 7,1317 4.727,1318 8.691,1319 6.862,1320 10.431,1322 2.233,1326 6.512,1328 6.935,1332 1.609,1340 26.52,1341 61.277,1342 139.516,1343 185.82,1344 208.574,1345 208.574,1346 208.574,1347 28.949,1348 7.871,1349 64.94,1350 64.94,1351 27,1352 12.816,1353 3.585,1354 2.807,1355 26.858,1356 67,1357 65,1358 0.215,1359 156.208,1360 264.95,1361 372.907,1362 25824,1364 14.845,1365 0.675,1366 0.588,1367 14.845,1368 12.932,1369 10.687,1370 0.411,1371 0.325,1372 8.38,1373 10.425,1374 8.176,1375 6.701,1376 10.687,1377 8.447,1378 10.453,1379 0.261,1380 0.183,1381 10.453,1382 7.334,1383 9.292,1384 0.16,1385 0.098,1386 9.292,1387 5.713,1388 8.275,1389 0.101,1390 0.052,1391 8.275,1392 4.268,1393 6.758,1394 0.061,1395 0.028,1396 6.758,1397 3.083,1398 0.323,1399 66.042,1400 0.236,1401 21.078,1402 0.637,1403 132,1404 288.338,1405 141.563,1406 283.213,1407 409.59,1408 268,1409 164,1410 326.752,1411 174.757,1412 329.98,1413 497.19,1414 313,1415 4.567}
{0 CHEMBL576384,1 1.483,2 9.565,3 4.735,4 22.417,5 100.826,6 7.513,7 0.385,8 3.913,9 4.036,10 3.597,11 3.589,12 4.831,13 3.48,14 4.506,15 4.686,16 4.085,17 4.051,18 5.333,19 3.901,20 4.77,21 4.992,22 4.1,23 4.179,24 5.556,25 4.017,26 4.824,27 5.059,28 4.019,29 4.162,30 5.648,31 3.982,32 4.776,33 5.021,34 3.931,35 4.086,36 5.589,37 3.888,38 4.691,39 4.95,40 3.704,41 3.967,42 5.433,43 3.73,44 4.42,45 4.667,46 3.534,47 3.724,48 5.26,49 3.502,50 4.207,51 4.442,52 3.231,53 3.538,54 5.002,55 3.288,56 0.052,57 0.691,58 11.303,59 4.92,60 7.306,61 6.445,62 0.154,63 1.224,64 27.434,65 9.905,66 13.122,67 12.206,68 0.174,69 1.517,70 31.761,71 11.94,72 18.001,73 15.633,74 0.262,75 1.613,76 36.851,77 12.97,78 27.503,79 16.243,80 0.269,81 1.539,82 33.641,83 11.239,84 27.945,85 14.46,86 0.213,87 1.382,88 37.324,89 12.506,90 21.319,91 14.626,92 0.19,93 1.078,94 25.224,95 8.348,96 22.864,97 10.231,98 0.16,99 0.878,100 23.84,101 7.671,102 17.555,103 8.718,104 16,105 38,106 0.257,107 0.575,108 0.786,109 0.867,110 0.867,111 0.867,112 3.19,113 1.201,114 -4.93,115 -4.84,116 -4.54,121 39.1,122 2,123 5,124 2,127 1,137 1,138 1,145 1,146 1,148 1,151 1,154 1,164 1,165 1,166 1,167 1,176 11,179 1,180 4,185 1,187 16,189 1,192 3,197 2,200 13,203 2,206 7,208 2,209 2,211 3,214 9,216 3,219 4,224 3,227 8,229 3,232 5,237 2,239 4,241 2,244 3,249 2,251 6,253 2,256 1,261 1,264 6,266 1,269 1,277 6,281 610,282 15.859,283 15.859,284 15.859,285 15.859,286 15.859,287 14.469,288 16.003,289 9.283,290 16.391,291 12.793,292 12.793,293 12.793,294 12.793,295 12.793,296 10.472,297 14.311,298 4.358,299 13.762,300 4.04,301 2.2,302 0.979,303 0.511,304 0.511,305 0.511,306 3.89,311 1,312 1,313 483,314 2.915,317 36.076,318 118.871,320 55.683,321 60.326,322 63.007,324 80.283,325 1.546,326 14.386,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 47.5,338 220,339 4.696,340 4.411,341 6.946,342 4.281,343 3.316,344 4.626,345 2.95,346 11.719,347 3.217,348 4.185,349 3.492,350 6.278,351 3.826,352 2.89,353 3.654,354 0.68,355 9.5,356 2.718,357 3.847,358 3.041,359 5.61,360 3.438,361 2.493,362 3.152,364 7.65,365 2.347,366 3.49,367 2.804,368 5.385,369 3.191,370 2.215,371 2.826,373 6.822,374 2.165,375 3.373,376 2.534,377 5.198,378 2.956,379 2.088,380 2.624,382 6.341,383 1.813,384 3.021,385 2.451,386 4.941,387 2.838,388 1.874,389 2.048,391 5.628,392 1.78,393 2.88,394 2.094,395 4.844,396 2.631,397 1.683,398 1.914,400 5.099,401 1.549,402 2.442,403 1.837,404 3.907,405 2.283,406 1.358,407 1.439,409 2.599,410 1.236,411 2.183,412 0.941,413 3.44,414 1.652,415 0.794,416 1.07,418 2.338,419 0.666,420 1.573,421 0.807,422 3.243,423 1.436,424 0.436,425 0.461,427 0.642,428 0.436,429 1.399,430 0.655,431 2.957,432 1.127,433 0.264,434 0.286,436 0.476,437 0.221,438 1.245,439 0.475,440 2.815,441 1.044,442 0.09,443 0.1,445 0.241,446 0.086,447 1.15,448 0.342,449 2.543,450 0.817,451 -0.109,452 -0.132,454 -0.3,455 -0.1,456 0.631,457 -0.053,458 2.482,459 0.35,460 -0.621,461 -0.677,463 -1.6,464 -0.595,465 0.332,466 -0.494,467 2.396,468 0.159,469 -0.823,470 -0.924,472 -1.766,473 -0.733,474 11.867,475 0.516,476 0.568,477 0.025,478 24.25,479 1.054,480 10,481 0.435,482 14.25,483 0.62,484 26.484,485 1.151,486 24.733,487 0.538,488 12.092,489 0.526,490 3.304,491 0.144,492 7.886,493 0.343,494 0.118,496 0.379,501 0.938,502 1.041,503 0.776,504 0.839,505 1.109,506 0.909,507 0.556,508 1.068,509 0.779,510 0.941,511 0.546,512 0.92,513 0.727,514 1.097,515 0.783,516 0.925,517 0.79,518 0.934,519 0.942,520 1.118,521 1.045,522 1.077,523 0.94,524 1.011,525 1.628,526 0.995,527 1.031,528 0.934,529 1.663,530 1.018,531 1.217,532 1.096,533 1.373,534 1.233,535 1.034,536 1.043,537 1.751,538 1.016,539 1.232,540 1.048,541 1.754,542 1.074,543 1.767,544 1.092,545 1.723,546 1.409,547 1.745,548 1.228,549 5,550 0.057,551 1.778,552 2.319,553 1.574,554 0.948,555 0.536,556 0.265,557 0.17,558 0.094,559 5321,560 10829,561 2.141,562 50,563 14,564 3,567 2,568 2,569 2,572 1.66,573 2,574 3.192,575 0.278,582 68.228,583 1.483,584 3.324,585 4.545,586 5.012,587 5.012,588 5.012,589 2.736,590 4.176,591 4.485,592 3.29,593 832.25,594 7.743,595 8950.42,597 1,600 254.084,601 1.422,602 4.454,603 0.192,604 0.008,605 0.047,606 0.058,607 0.043,608 0.032,609 0.021,610 0.014,611 0.012,612 0.009,613 0.436,614 0.33,615 1,616 1.28,617 105.454,618 -0.035,619 0.068,620 0.082,621 0.111,622 -0.08,623 0.084,624 0.288,625 -0.024,626 0.207,627 0.079,628 0.2,629 0.088,630 0.15,631 -0.111,632 0.114,633 0.019,634 0.069,635 0.049,636 0.156,637 -0.099,638 -0.037,639 -0.086,640 0.168,641 -0.038,642 -0.253,643 0.057,644 -0.067,646 -0.257,647 -0.083,648 -0.113,649 -0.077,650 -0.151,651 -0.108,652 -0.043,653 -0.043,654 -0.334,655 0.054,656 -0.144,657 -0.037,658 -0.268,659 -0.127,660 -0.441,661 0.011,662 -0.373,663 -0.213,664 -0.336,665 -0.232,666 0.801,667 2.606,668 0.696,669 19.028,670 0.985,671 1.119,672 3.703,673 13.71,674 0.694,675 3.296,676 3.664,677 4.007,678 4.382,679 4.682,680 4.905,681 5.118,682 5.318,683 5.398,684 5.485,685 5.282,686 0.624,687 345.58,688 3.296,689 4.86,690 5.746,691 6.666,692 7.575,693 8.506,694 9.425,695 10.36,696 11.284,697 12.222,698 6.5,702 1,708 2,714 2,716 2,719 1,720 4,722 10,733 1,741 46,743 11,745 26,747 49,748 18,749 6,756 4,757 10,763 2,767 3,768 2,770 5,772 8,773 10,774 2,777 1,784 1,786 1,793 23,794 3,795 2,796 5,797 2,802 3,808 0.25,822 1,828 1,829 3,831 1,832 1,833 1,835 1,849 1,850 1,859 1,860 1,862 2,864 2,868 23,869 1,876 6,879 1,880 2,887 1,901 11.5,902 8.817,903 5.056,904 3.311,907 2.462,908 1.318,909 1.008,910 4.292,911 10.207,912 3.497,913 4.131,914 4.768,915 5.426,916 5.987,917 6.461,918 6.926,919 7.382,920 7.603,921 7.875,922 0.857,923 40,924 8.574,926 3.713,927 0.026,929 7.37,931 17.306,933 15.273,936 1.87,937 43,938 0.001,940 1,941 247.193,942 118.542,943 66.468,947 63.497,948 55.045,949 247.193,950 66.468,951 17.65,952 13.572,953 42.373,954 33.571,955 13.6,956 0.746,957 310.69,959 247.193,960 121.513,962 63.497,964 225.366,965 23.542,968 33.98,969 42.771,970 43.047,971 63.497,972 247.193,973 66.468,974 118.542,977 247.193,978 91.415,979 27.127,981 66.468,982 247.193,983 66.468,984 118.542,986 0.58,987 0.349,988 0.203,989 0.119,990 21,991 9,992 0.082,993 4,994 4,995 1.438,996 3.469,997 199.211,998 0.5,999 15,1000 102.042,1001 2,1005 15.744,1006 6.271,1007 2.772,1008 1.97,1009 66.468,1011 9.635,1014 1.724,1015 4.619,1017 32.897,1018 432.203,1019 32,1026 2.491,1028 1.597,1031 45.294,1032 51.487,1034 0.269,1035 0.602,1036 0.823,1037 0.907,1038 0.907,1039 0.907,1040 4.775,1041 1.358,1042 5.753,1043 5.099,1044 4.344,1045 4.816,1046 2.962,1047 6.629,1048 4.224,1049 5.991,1050 0.794,1051 7.344,1052 2.599,1053 4.007,1054 4.783,1056 7.6,1057 3.861,1058 7.325,1059 0.436,1060 9.033,1061 2.338,1062 5.994,1063 7.078,1064 5.03,1065 10.765,1066 5.792,1067 8.694,1068 0.264,1069 10.777,1070 0.642,1071 6.463,1072 7.891,1074 12.562,1075 6.236,1076 10.098,1077 0.09,1078 12.559,1079 0.476,1080 7.936,1081 9.694,1082 7.185,1083 15.257,1084 7.672,1085 11.526,1086 -0.109,1087 14.368,1088 0.241,1089 8.788,1090 10.897,1092 17.425,1093 8.497,1094 12.973,1095 -0.621,1096 16.196,1097 -0.3,1098 10.066,1099 12.52,1100 9.348,1101 19.958,1102 9.747,1103 3.316,1104 -0.823,1105 18.042,1106 -1.6,1107 11.099,1108 13.904,1110 22.289,1111 10.752,1112 2.89,1113 11.719,1114 19.901,1115 -1.766,1116 12.307,1117 15.461,1118 11.511,1119 24.766,1120 11.934,1121 2.493,1122 9.5,1123 21.772,1124 4.626,1125 13.423,1126 16.925,1128 27.167,1129 13.023,1130 2.215,1131 7.65,1132 23.653,1133 3.654,1134 14.609,1135 18.461,1136 13.675,1137 29.627,1138 14.184,1139 2.088,1140 6.822,1141 25.542,1142 3.152,1143 15.762,1144 19.961,1146 32.059,1147 15.31,1148 1.874,1149 6.341,1150 27.438,1151 2.826,1152 16.944,1153 21.491,1154 15.838,1155 34.514,1156 16.467,1157 1.683,1158 5.628,1159 29.34,1160 2.624,1161 18.116,1162 23.006,1164 36.96,1165 17.612,1166 5134,1167 7494,1168 17.512,1169 31.927,1170 39.129,1171 42.131,1172 41.192,1173 38.97,1174 39.002,1175 48.398,1176 7.26,1177 118.109,1178 36.468,1179 5.65,1180 6.411,1181 6.809,1182 5.453,1183 5.316,1184 7.626,1185 5.9,1186 19.31,1187 5.217,1188 10.476,1189 1.505,1190 1.62,1191 1.584,1192 1.499,1193 1.5,1194 1.861,1195 0.279,1196 4.543,1197 1.403,1198 4.12,1199 4.147,1200 4.384,1201 4.082,1202 5.162,1203 4.052,1204 3.85,1205 3.879,1206 3.914,1207 3.825,1208 4.829,1209 3.776,1210 3.597,1211 3.664,1212 3.676,1213 3.518,1214 4.49,1215 3.462,1216 3.48,1217 3.546,1218 3.416,1219 3.375,1220 4.218,1221 3.342,1222 3.23,1223 3.304,1224 3.154,1225 3.114,1226 4.082,1227 3.084,1228 3.181,1229 3.247,1230 3.074,1231 3.051,1232 3.888,1233 3.021,1234 2.918,1235 3.024,1236 2.976,1237 2.801,1238 3.609,1239 2.729,1240 2.905,1241 2.995,1242 2.797,1243 2.684,1244 3.487,1245 2.658,1246 0.181,1247 0.17,1248 0.267,1249 0.165,1250 0.128,1251 4.696,1252 0.178,1253 4.411,1254 0.113,1255 6.946,1256 0.451,1257 4.281,1258 0.124,1259 3.316,1260 4.626,1261 2.95,1262 11.719,1263 3.217,1264 2.041,1265 2.012,1266 2.162,1267 2.135,1268 1.534,1269 2.146,1270 1.727,1271 1.699,1272 1.887,1273 1.847,1274 1.164,1275 1.856,1276 1.624,1277 1.57,1278 1.86,1279 1.783,1280 1.081,1281 1.837,1282 1.456,1283 1.395,1284 1.67,1285 1.634,1286 0.906,1287 1.668,1288 1.266,1289 1.231,1290 1.516,1291 1.445,1292 0.841,1293 1.47,1294 1.178,1295 1.125,1296 1.313,1297 1.326,1298 0.554,1299 1.366,1300 0.987,1301 0.93,1302 1.288,1303 1.178,1304 0.501,1305 1.228,1306 0.87,1307 0.776,1308 1.181,1309 1.16,1310 0.388,1311 1.201,1312 3.97,1314 5.323,1315 2.398,1316 6.884,1317 4.727,1318 8.556,1319 6.843,1320 10.29,1322 4.462,1326 6.606,1328 6.863,1331 1.822,1332 1.211,1340 28.706,1341 68.228,1342 152.89,1343 209.064,1344 230.574,1345 230.574,1346 230.574,1347 31.729,1348 7.745,1349 51.8,1350 105.34,1351 23,1352 12.721,1353 3.585,1354 2.807,1355 31.81,1356 74,1357 91,1358 0.227,1359 181.867,1360 305.54,1361 435.515,1362 22154,1364 15.974,1365 0.695,1366 0.669,1367 16.681,1368 15.396,1369 11.19,1370 0.43,1371 0.4,1372 8.721,1373 10.204,1374 8.278,1375 6.866,1376 12.053,1377 10.405,1378 10.179,1379 0.268,1380 0.237,1381 11.503,1382 8.987,1383 8.942,1384 0.166,1385 0.137,1386 10.525,1387 7.418,1388 8.133,1389 0.103,1390 0.075,1391 9.671,1392 5.954,1393 6.833,1394 0.064,1395 0.045,1396 8.464,1397 4.834,1398 0.345,1399 76.87,1400 0.239,1401 22.098,1402 0.658,1403 128,1404 270.323,1405 187.787,1406 312.849,1407 444.99,1408 296,1409 156,1410 312.279,1411 202.583,1412 347.8,1413 523.54,1414 329,1415 5.138}
{0 CHEMBL576385,1 1.446,2 7.609,3 5.264,4 27.709,5 98.674,6 8.077,7 0.423,8 3.853,9 3.97,10 3.505,11 3.51,12 4.799,13 3.447,14 4.449,15 4.618,16 3.906,17 3.97,18 5.348,19 3.878,20 4.761,21 4.968,22 4.021,23 4.154,24 5.631,25 4.035,26 4.817,27 5.055,28 3.984,29 4.129,30 5.639,31 3.999,32 4.767,33 4.991,34 3.927,35 4.115,36 5.585,37 3.977,38 4.827,39 5.077,40 3.981,41 4.119,42 5.611,43 3.941,44 4.778,45 5.04,46 3.889,47 4.002,48 5.611,49 3.78,50 4.515,51 4.797,52 3.516,53 3.659,54 5.337,55 3.372,56 0.025,57 0.581,58 8.237,59 3.986,60 4.457,61 5.516,62 0.094,63 1.013,64 19.152,65 7.654,66 13.856,67 10.506,68 0.221,69 1.357,70 29.37,71 10.475,72 26.372,73 14.425,74 0.25,75 1.441,76 30.611,77 11.132,78 27.733,79 15.512,80 0.199,81 1.397,82 26.196,83 10.035,84 21.356,85 14.01,86 0.192,87 1.357,88 32.056,89 12.181,90 24.586,91 16.845,92 0.306,93 1.194,94 38.52,95 11.85,96 35.447,97 15.881,98 0.281,99 0.776,100 40.093,101 10.442,102 33.161,103 13.413,104 13,105 38,106 0.253,107 0.643,108 0.846,109 0.89,110 0.89,111 0.89,112 3.191,113 1.057,114 -5.56,115 -5.43,116 -5.07,121 44.2,122 1,123 3,124 2,127 2,137 1,138 1,144 3,145 2,146 2,148 2,176 11,180 4,185 2,187 19,192 3,197 3,200 13,206 5,209 1,211 5,214 13,219 1,224 2,227 10,232 1,237 3,239 14,244 1,251 12,264 8,277 4,281 641,282 15.696,283 15.696,284 15.696,285 15.696,286 15.696,287 14.124,288 17.357,289 9.262,290 16.095,291 12.868,292 12.868,293 12.868,294 12.868,295 12.868,296 10.39,297 19.437,298 4.427,299 13.591,300 3.98,301 1.753,302 0.593,303 0.343,304 0.343,305 0.343,306 3.891,307 1,308 1,311 1,312 1,313 384,314 2.739,318 149.717,320 49.92,322 124.384,324 75.117,325 1.104,326 15.403,329 0.75,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.86,337 47.667,338 175,339 4.686,340 3.508,341 6.986,342 4.303,343 3.319,344 4.594,345 0.68,346 11.934,347 3.265,348 4.143,349 3.064,350 6.24,351 3.826,352 2.84,353 3.624,354 0.4,355 9.32,356 2.801,357 3.814,358 2.859,359 5.569,360 3.416,361 2.451,362 3.131,364 7.471,365 2.369,366 3.567,367 2.551,368 5.39,369 3.2,370 2.228,371 2.925,373 6.847,374 2.165,375 3.406,376 2.457,377 5.125,378 3.013,379 2.084,380 2.725,382 6.137,383 1.904,384 3.012,385 2.252,386 4.836,387 2.837,388 1.88,389 2.045,391 5.356,392 1.773,393 2.89,394 2.062,395 4.666,396 2.655,397 1.692,398 1.914,400 4.872,401 1.58,402 2.662,403 1.857,404 4.037,405 2.374,406 1.456,407 1.695,409 3.311,410 1.308,411 2.346,412 1.326,413 3.621,414 2.017,415 1.079,416 1.321,418 2.442,419 0.968,420 1.526,421 0.926,422 3.202,423 1.243,424 0.381,425 0.415,427 0.812,428 0.285,429 1.422,430 0.522,431 3,432 1.077,433 0.138,434 0.166,436 0.361,437 0.123,438 1.133,439 0.214,440 2.676,441 0.733,442 -0.15,443 -0.181,445 -0.382,446 -0.117,447 0.896,448 0.043,449 2.491,450 0.587,451 -0.362,452 -0.406,454 -0.809,455 -0.265,456 0.667,457 0.009,458 2.376,459 0.497,460 -0.401,461 -0.439,463 -1.016,464 -0.386,465 0.59,466 -0.524,467 2.295,468 0.2,469 -0.703,470 -0.861,472 -1.939,473 -0.619,474 11.729,475 0.51,476 0.606,477 0.026,478 26,479 1.13,480 11.5,481 0.5,482 14.5,483 0.63,484 23.839,485 1.036,486 24.271,487 0.564,488 15.489,489 0.673,490 4.38,491 0.19,492 6.772,493 0.294,494 0.164,496 0.384,501 0.63,502 1.134,503 0.572,504 0.844,505 0.614,506 0.861,507 0.781,508 1.111,509 0.744,510 0.921,511 0.671,512 0.918,513 0.845,514 1.132,515 0.838,516 1.016,517 0.851,518 1.012,519 0.656,520 1.072,521 0.652,522 0.909,523 0.603,524 0.923,525 0.903,526 1.076,527 0.702,528 0.924,529 0.81,530 1.034,531 0.566,532 1.074,533 0.675,534 0.954,535 0.608,536 0.996,537 1.159,538 0.922,539 1.145,540 1.023,541 1.206,542 1.056,543 1.65,544 0.76,545 1.761,546 1.151,547 1.759,548 1.043,549 5,551 2,552 2.188,553 1.662,554 0.965,555 0.605,556 0.472,557 0.193,558 0.067,559 4944,560 13104,561 2.141,562 46.5,563 9,564 8,567 1,568 2,572 1.667,573 2,574 2.922,575 -0.369,582 62.18,583 1.446,584 3.674,585 4.833,586 5.083,587 5.083,588 5.083,589 2.392,590 4.437,591 4.492,592 3.039,593 768.992,594 7.79,595 8319.37,600 233.329,601 1.422,602 4.454,603 0.192,605 0.053,606 0.053,607 0.043,608 0.028,609 0.019,610 0.021,611 0.015,612 0.013,613 0.436,614 0.67,615 0.88,616 1.17,617 103.725,618 -0.021,619 -0.001,620 0.016,621 0.035,622 -0.019,623 0.048,624 -0.041,625 -0.04,626 -0.022,627 -0.008,628 0.047,629 0.016,630 -0.019,631 -0.08,632 -0.073,633 -0.1,634 -0.053,635 -0.074,636 0.094,637 -0.031,638 0.04,639 -0.002,640 0.104,641 0.021,642 -0.136,643 0.013,644 -0.061,645 -0.045,646 -0.124,647 -0.118,648 0.124,649 -0.116,650 0.109,651 0.003,652 0.116,653 -0.011,654 -0.036,655 0.005,656 -0.01,657 -0.009,658 -0.059,659 -0.057,660 -0.139,661 0.019,662 -0.113,663 -0.003,664 -0.168,665 0.032,666 0.931,667 2.071,668 0.739,669 16.015,670 0.993,671 1.117,672 4.327,673 18.721,674 0.706,675 3.296,676 3.664,677 3.989,678 4.382,679 4.727,680 4.942,681 5.124,682 5.323,683 5.389,684 5.438,685 4.731,686 0.65,687 347.31,688 3.296,689 4.86,690 5.74,691 6.661,692 7.567,693 8.499,694 9.416,695 10.353,696 11.274,697 12.212,698 4.7,703 1,708 1,714 2,715 3,716 1,720 4,722 11,734 1,740 1,741 43,743 12,744 1,745 26,747 46,748 19,749 9,750 3,751 3,754 1,756 4,757 10,758 2,763 2,767 3,768 2,770 3,772 11,773 8,774 2,777 1,784 1,786 1,793 20,794 2,795 1,796 4,797 2,802 2,808 0.25,822 1,829 4,831 1,833 2,835 1,849 1,850 1,859 1,864 1,865 2,868 23,876 5,877 1,880 2,892 2,901 11.5,902 7.986,903 4.972,904 2.784,907 2.764,908 1.359,909 1.013,910 4.083,911 10.465,912 3.512,913 4.151,914 4.771,915 5.437,916 6.083,917 6.525,918 6.966,919 7.427,920 7.785,921 7.954,922 1,923 41,924 8.528,926 3.698,927 0.026,929 7.481,931 16.968,933 14.915,936 1.981,937 45.556,938 0.001,941 223.651,942 79.391,943 34.796,944 78.297,948 79.391,949 301.948,950 34.796,951 8.825,952 12.559,953 37.905,954 34.796,955 20.102,957 262.8,958 39.149,959 223.651,960 114.188,962 78.297,964 223.651,968 26.285,969 43.63,970 122.57,972 223.651,973 34.796,974 157.689,977 223.651,978 32.661,979 46.73,980 18.011,981 95.083,982 223.651,983 34.796,984 157.689,986 0.583,987 0.338,988 0.205,989 0.129,990 21,991 9,992 0.043,993 2,994 4,995 1.412,996 3.395,997 202.942,998 0.471,999 16,1000 104.042,1005 15.438,1006 6.084,1007 2.775,1008 2.137,1009 34.796,1010 5.995,1011 4.966,1015 4.607,1017 18.011,1018 416.136,1019 32.5,1026 2.44,1028 1.511,1031 42.687,1032 48.037,1034 0.266,1035 0.677,1036 0.891,1037 0.937,1038 0.937,1039 0.937,1040 4.785,1041 1.456,1042 5.746,1043 4.872,1044 4.344,1045 4.836,1046 0.809,1047 6.619,1048 4.266,1049 6.004,1050 1.079,1051 7.332,1052 3.311,1053 4.007,1054 4.783,1056 7.594,1057 3.904,1058 7.335,1059 0.381,1060 9.017,1061 2.442,1062 5.984,1063 7.092,1064 0.391,1065 10.767,1066 5.875,1067 8.698,1068 0.138,1069 10.761,1070 0.812,1071 6.431,1072 7.855,1074 12.59,1075 6.309,1076 10.095,1077 -0.15,1078 12.544,1079 0.361,1080 7.914,1081 9.685,1082 0.187,1083 15.297,1084 7.786,1085 11.516,1086 -0.362,1087 14.355,1088 -0.382,1089 8.751,1090 10.844,1092 17.499,1093 8.612,1094 12.956,1095 -0.401,1096 16.189,1097 -0.809,1098 10.037,1099 12.484,1100 0.089,1101 20.047,1102 9.89,1103 3.319,1104 -0.703,1105 18.04,1106 -1.016,1107 11.064,1108 13.837,1110 22.41,1111 10.905,1112 2.84,1113 11.934,1114 19.906,1115 -1.939,1116 12.277,1117 15.401,1118 0.042,1119 24.906,1120 12.107,1121 2.451,1122 9.32,1123 21.785,1124 4.594,1125 13.392,1126 16.845,1128 27.335,1129 13.207,1130 2.228,1131 7.471,1132 23.673,1133 3.624,1134 14.582,1135 18.381,1136 0.019,1137 29.814,1138 14.384,1139 2.084,1140 6.847,1141 25.57,1142 3.131,1143 15.737,1144 19.867,1146 32.27,1147 15.524,1148 1.88,1149 6.137,1150 27.474,1151 2.925,1152 16.923,1153 21.393,1154 0.009,1155 34.746,1156 16.695,1157 1.692,1158 5.356,1159 29.384,1160 2.725,1161 18.097,1162 22.899,1164 37.214,1165 17.853,1166 4765,1167 7850,1168 17.512,1169 30.341,1170 39.447,1171 40.573,1172 41.036,1173 39.276,1174 39.095,1175 49.109,1176 2.16,1177 117.724,1178 37.085,1179 5.64,1180 5.508,1181 6.844,1182 5.345,1183 5.319,1184 7.594,1185 1.36,1186 19.51,1187 5.265,1188 10.439,1189 1.517,1190 1.561,1191 1.578,1192 1.511,1193 1.504,1194 1.889,1195 0.083,1196 4.528,1197 1.426,1198 4.14,1199 4.168,1200 4.14,1201 4.074,1202 5.039,1203 4.076,1204 3.874,1205 3.907,1206 3.868,1207 3.813,1208 4.729,1209 3.802,1210 3.562,1211 3.627,1212 3.768,1213 3.428,1214 4.672,1215 3.418,1216 3.441,1217 3.495,1218 3.574,1219 3.325,1220 4.43,1221 3.307,1222 3.213,1223 3.268,1224 3.204,1225 3.109,1226 4.144,1227 3.087,1228 3.138,1229 3.215,1230 3.082,1231 2.988,1232 4.027,1233 2.973,1234 2.953,1235 3.017,1236 2.907,1237 2.827,1238 3.798,1239 2.817,1240 2.72,1241 2.808,1242 2.89,1243 2.603,1244 3.545,1245 2.582,1246 0.18,1247 0.135,1248 0.269,1249 0.165,1250 0.128,1251 4.686,1252 0.177,1253 3.508,1254 0.026,1255 6.986,1256 0.459,1257 4.303,1258 0.126,1259 3.319,1260 4.594,1261 0.68,1262 11.934,1263 3.265,1264 2.097,1265 2.073,1266 2.187,1267 2.182,1268 1.535,1269 2.185,1270 1.881,1271 1.85,1272 1.999,1273 1.97,1274 1.192,1275 1.987,1276 1.53,1277 1.475,1278 1.739,1279 1.728,1280 1.005,1281 1.751,1282 1.44,1283 1.382,1284 1.688,1285 1.596,1286 0.918,1287 1.631,1288 1.223,1289 1.17,1290 1.484,1291 1.377,1292 0.77,1293 1.417,1294 1.145,1295 1.074,1296 1.372,1297 1.337,1298 0.587,1299 1.364,1300 0.942,1301 0.887,1302 1.185,1303 1.127,1304 0.382,1305 1.152,1306 0.739,1307 0.67,1308 1.146,1309 1.001,1310 0.237,1311 1.063,1312 3.97,1314 5.323,1316 6.891,1318 8.574,1320 10.322,1322 2.254,1323 12.113,1328 4.765,1329 3.569,1332 1.199,1340 27.966,1341 62.18,1342 157.971,1343 207.82,1344 218.574,1345 218.574,1346 218.574,1347 30.94,1348 7.701,1349 24.92,1350 24.92,1351 24,1352 12.712,1353 3.7,1354 2.907,1355 31.491,1356 65,1357 72,1358 0.249,1359 176.141,1360 302.6,1361 421.545,1362 21096,1363 4.7,1364 15.974,1365 0.695,1366 0.64,1367 16.974,1368 14.715,1369 11.152,1370 0.429,1371 0.352,1372 8.283,1373 10.371,1374 7.956,1375 6.511,1376 11.794,1377 9.158,1378 10.395,1379 0.274,1380 0.199,1381 11.054,1382 7.553,1383 8.646,1384 0.163,1385 0.102,1386 9.085,1387 5.425,1388 8.11,1389 0.103,1390 0.057,1391 8.446,1392 4.509,1393 7.073,1394 0.063,1395 0.031,1396 7.422,1397 3.501,1398 0.367,1399 74.84,1400 0.239,1401 21.69,1402 0.762,1403 128,1404 288.385,1405 158.91,1406 346.102,1407 464.87,1408 326,1409 155,1410 301.801,1411 175.268,1412 325.338,1413 483.37,1414 308,1415 7.364}
{0 CHEMBL57842,1 1.31,2 6.786,3 1.142,4 1.305,5 58.19,6 6.01,7 0.429,8 3.504,9 3.646,10 2.882,11 2.958,12 4.521,13 2.902,14 4.035,15 4.264,16 3.159,17 3.301,18 4.89,19 3.231,20 4.234,21 4.44,22 3.219,23 3.543,24 5.113,25 3.413,26 4.475,27 4.762,28 3.041,29 3.602,30 5.242,31 3.396,32 4.388,33 4.699,34 2.683,35 3.439,36 5.106,37 3.167,38 4.108,39 4.463,40 2.414,41 2.955,42 4.744,43 2.703,44 3.451,45 3.683,46 2.099,47 2.406,48 4.359,49 2.311,50 3.259,51 3.51,52 1.623,53 2.346,54 4.075,55 2.102,56 0.04,57 0.424,58 7.903,59 2.912,60 8.349,61 4.307,62 0.154,63 0.643,64 13.399,65 4.171,66 12.398,67 6.436,68 0.113,69 0.798,70 16,71 6.117,72 15.029,73 8.929,74 0.145,75 0.899,76 19.417,77 7.508,78 22.555,79 11.066,80 0.146,81 0.78,82 17.317,83 7.099,84 22.526,85 10.377,86 0.097,87 0.517,88 12.935,89 4.647,90 16.221,91 6.959,92 0.156,93 0.266,94 7.512,95 1.951,96 13.405,97 2.818,98 0.041,99 0.245,100 5.656,101 2.216,102 8.941,103 3.17,104 23,105 19,106 0.253,107 0.558,108 0.736,109 0.76,110 0.76,111 0.76,112 2.731,113 1.04,114 -0.23,115 -0.37,116 -0.54,121 37.5,126 3,127 1,136 1,137 1,144 4,146 2,176 3,180 2,187 2,189 3,192 2,200 2,203 3,214 2,221 1,227 4,239 2,244 1,256 1,281 184,282 9.11,283 9.11,284 9.11,285 9.11,286 9.11,287 8.295,288 13.737,289 5.37,290 9.423,291 6.771,292 6.771,293 6.771,294 6.771,295 6.771,296 5.515,297 17.606,298 2.313,299 7.209,300 3.69,301 2.116,302 1.196,303 1.071,304 1.071,305 1.071,306 3.338,311 1,312 1,313 182,314 3.162,318 47.935,325 1.102,326 5.727,329 1,330 0.83,331 0.83,332 0.9,333 1,334 1,335 1,336 0.94,337 29.5,338 95,339 4.485,340 3.727,341 7.292,342 4.293,343 3.374,344 3.853,345 1.26,346 12.402,347 3.104,348 3.827,349 2.816,350 5.346,351 3.428,352 2.483,353 3.188,354 0.86,355 6.907,356 2.339,357 3.038,358 1.955,359 4.817,360 2.663,361 1.706,362 2.169,363 0.245,364 4.941,365 1.625,366 2.594,367 1.466,368 3.414,369 2.053,370 1.07,371 1.5,373 2.275,374 1.05,375 2.5,376 1.022,377 3.39,378 2,379 1,380 1.428,382 1.781,383 1,384 1.64,385 1,386 2.824,387 1.354,388 0.489,389 0.545,391 0.738,392 0.419,393 0.888,394 -0.173,395 2.438,396 0.466,397 -0.488,398 -0.631,400 -0.779,401 -0.459,402 0.728,403 -0.315,404 2,405 0.358,406 -0.582,407 -0.725,409 -1.103,410 -0.544,411 0.5,412 -0.6,413 2,415 -1,416 -1,418 -3,419 -0.9,421 -1,422 2,423 -0.1,424 -1,425 -1.5,427 -3,428 -1,429 -0.416,430 -1.018,431 1.159,432 -0.603,433 -1.496,434 -1.628,435 -0.4,436 -4.012,437 -1.309,438 -0.5,439 -1.255,440 0.586,441 -0.758,442 -1.67,443 -1.912,444 -0.4,445 -4.733,446 -1.558,447 -0.54,448 -1.624,449 0.45,450 -0.953,451 -1.885,452 -2.285,453 -0.705,454 -5.275,455 -1.766,456 -0.745,457 -2,458 0.284,459 -1,460 -2,461 -3,462 -0.86,463 -7.143,464 -2,474 6.733,475 0.481,476 0.402,477 0.029,478 16,479 1.143,480 7.5,481 0.536,482 8.5,483 0.607,484 9.343,485 0.667,486 16.367,487 0.511,488 10.663,489 0.762,490 3.62,491 0.259,492 2.977,493 0.213,494 0.297,495 0.059,496 0.149,501 0.995,502 1.696,503 1.031,504 1.399,505 1.151,506 1.241,507 1.786,508 0.821,509 1.014,510 0.695,511 0.962,512 0.746,513 1.055,514 1.337,515 1.228,516 1.301,517 0.911,518 1.282,519 0.71,520 0.997,521 1.034,522 1.049,523 0.829,524 1.067,525 0.182,526 1.057,527 0.971,528 1.155,529 0.968,530 1.147,531 0.551,532 0.791,533 0.6,534 0.789,535 0.602,536 0.714,537 4.251,538 0.571,539 1.619,540 0.614,541 2.826,542 0.841,543 1.038,544 1.499,545 1.448,546 1.621,547 1.034,548 1.592,549 4,551 2.222,552 1,553 0.462,554 0.444,555 0.183,556 0.059,557 0.025,559 1100,560 2354,561 1.827,562 56.3,564 18,572 1.508,573 1.663,574 2.752,575 -0.835,579 1,582 41.922,583 1.31,584 2.884,585 3.804,586 3.929,587 3.929,588 3.929,589 2.271,590 3.379,591 3.772,592 2.825,593 257.091,594 6.291,595 1987.81,597 1,600 160,601 1.689,602 3.682,603 0.286,605 0.117,606 0.053,607 0.031,608 0.049,609 0.026,610 0.012,611 0.012,613 0.586,614 0.83,615 1,616 1.733,617 53.005,618 0.077,619 -0.417,620 0.057,621 -0.226,622 -0.12,623 -0.11,624 -0.209,625 0.335,626 0.085,627 0.282,628 0.012,629 0.228,630 -0.106,631 -0.196,632 -0.209,633 -0.21,634 -0.064,635 -0.219,636 -0.057,637 -0.02,638 -0.101,639 -0.06,640 -0.041,641 -0.08,642 0.165,643 -0.149,644 -0.094,645 -0.176,646 -0.129,647 -0.165,648 0.182,649 -0.007,650 0.29,651 0.077,652 0.287,653 0.18,654 -0.73,655 0.341,656 -0.396,657 0.215,658 -0.59,659 -0.024,660 -0.098,661 -0.55,662 -0.499,663 -0.609,664 -0.037,665 -0.597,666 0.771,667 1.615,668 0.429,669 8.163,670 0.982,671 1.132,672 -1.001,673 1.003,674 0.623,675 2.708,676 2.996,677 3.135,678 3.178,679 3.219,680 3.219,681 3.045,682 2.197,683 1.609,685 3.967,686 0.569,687 192.31,688 2.708,689 4.205,690 5.004,691 5.861,692 6.686,693 7.55,694 8.383,695 9.25,696 10.086,697 10.953,698 3.1,712 1,715 4,720 2,722 6,739 1,741 32,743 7,744 1,745 14,747 32,748 12,749 6,750 2,751 4,756 1,757 1,772 8,773 4,777 1,778 1,784 1,790 1,793 18,794 1,796 2,802 1,803 1,807 1,808 1,809 1,829 1,848 1,849 1,859 1,864 3,868 14,876 1,878 1,883 1,893 3.1,898 1,901 8.417,902 6.583,903 3.292,904 1.785,907 1.267,908 1.246,909 0.871,910 3.446,911 6.42,912 2.944,913 3.418,914 3.855,915 4.275,916 4.71,917 4.742,918 4.722,919 4.038,920 3.804,922 0.8,923 19,924 5.128,925 0.002,926 1.933,927 0.026,929 7.56,931 9.951,932 0.001,933 7.422,934 0.001,936 2.06,937 28.833,938 0.008,941 211.88,942 100.93,945 11,948 100.93,949 222.88,951 27.676,952 17.873,953 47.381,955 19,957 211.88,959 211.88,960 100.93,961 11,964 211.88,965 11,968 2.106,969 89.348,970 9.476,972 211.88,973 11,974 100.93,977 211.88,978 10.106,979 75.057,981 26.767,982 211.88,983 11,984 100.93,986 0.568,987 0.33,988 0.155,989 0.071,990 8,991 4,992 0.125,993 4,995 1,996 2.5,997 79.89,999 6,1000 47.303,1005 10.961,1006 4.401,1007 2.684,1009 11,1010 8.14,1015 2.151,1018 323.81,1019 18,1020 3.765,1026 1.935,1031 31.44,1032 36.237,1034 0.262,1035 0.577,1036 0.761,1037 0.786,1038 0.786,1039 0.786,1040 4.151,1041 -0.582,1042 5.056,1043 -0.779,1044 3.664,1045 4.094,1046 1.598,1047 5.922,1048 3.544,1049 5.362,1050 -1,1051 6.678,1052 -1.103,1053 3.611,1054 3.951,1055 0.931,1056 7.402,1057 3.357,1058 6.683,1059 -1,1060 8.434,1061 -3,1062 5.407,1063 6.197,1064 1.592,1065 10.338,1066 5.132,1067 8.047,1068 -1.496,1069 10.27,1070 -3,1071 6.155,1072 6.791,1073 1.381,1074 12.562,1075 5.733,1076 9.444,1077 -1.67,1078 12.156,1079 -4.012,1080 7.54,1081 8.594,1082 1.781,1083 15.185,1084 7.086,1085 10.866,1086 -1.885,1087 14.074,1088 -4.733,1089 8.582,1090 9.514,1091 1.783,1092 17.618,1093 7.999,1094 12.304,1095 -2,1096 16.012,1097 -5.275,1098 9.842,1099 11.117,1100 2.08,1101 20.166,1102 9.206,1103 3.374,1105 17.965,1106 -7.143,1107 10.992,1108 12.208,1109 2.192,1110 22.659,1111 10.245,1112 2.483,1113 12.402,1114 19.928,1116 12.216,1117 13.705,1118 2.446,1119 25.186,1120 11.401,1121 1.706,1122 6.907,1123 21.898,1124 3.853,1125 13.405,1126 14.894,1127 2.615,1128 27.696,1129 12.492,1130 1.07,1131 4.941,1132 23.873,1133 3.188,1134 14.62,1135 16.331,1136 2.852,1137 30.217,1138 13.63,1139 1,1140 2.275,1141 25.851,1142 2.169,1143 15.825,1144 17.579,1145 3.05,1146 32.732,1147 14.744,1148 0.489,1149 1.781,1150 27.832,1151 1.5,1152 17.039,1153 18.98,1154 3.282,1155 35.251,1156 15.877,1157 -0.488,1158 0.738,1159 29.814,1160 1.428,1161 18.25,1162 20.266,1163 3.495,1164 37.768,1165 17.001,1166 1260,1167 1886,1168 8.436,1169 19.932,1170 20.741,1171 20.545,1172 21.597,1173 20.267,1174 20.243,1175 25.364,1176 4.73,1177 58.089,1178 19.073,1179 5.23,1180 5.727,1181 7.009,1182 5.293,1183 5.374,1184 6.853,1185 2.12,1186 19.546,1187 5.104,1188 8.241,1189 1.481,1190 1.467,1191 1.543,1192 1.448,1193 1.446,1194 1.812,1195 0.338,1196 4.149,1197 1.362,1198 3.991,1199 4.039,1200 3.923,1201 3.874,1202 4.879,1203 3.88,1204 3.669,1205 3.722,1206 3.553,1207 3.513,1208 4.711,1209 3.512,1210 3.354,1211 3.43,1212 3.183,1213 3.17,1214 4.416,1215 3.164,1216 3.196,1217 3.277,1218 2.973,1219 2.92,1220 4.089,1221 2.919,1222 2.874,1223 3.009,1224 2.687,1225 2.735,1226 3.674,1227 2.715,1228 2.854,1229 2.925,1230 2.499,1231 2.618,1232 3.467,1233 2.57,1234 2.659,1235 2.763,1236 2.446,1237 2.505,1238 3.324,1239 2.481,1240 2.561,1241 2.658,1242 2.23,1243 2.333,1244 3.154,1245 2.29,1246 0.32,1247 0.266,1248 0.521,1249 0.307,1250 0.241,1251 4.485,1252 0.275,1253 3.727,1254 0.09,1255 7.292,1256 0.886,1257 4.293,1258 0.222,1259 3.374,1260 3.853,1261 1.26,1262 12.402,1263 3.104,1264 1.939,1265 1.902,1266 2.07,1267 2.096,1268 1.272,1269 2.092,1270 1.648,1271 1.59,1272 1.853,1273 1.827,1274 0.942,1275 1.836,1276 1.355,1277 1.277,1278 1.661,1279 1.573,1280 0.641,1281 1.607,1282 1.167,1283 1.082,1284 1.558,1285 1.472,1286 0.568,1287 1.504,1288 0.934,1289 0.821,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.886,1295 0.804,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 0.693,1301 0.606,1302 1.138,1303 0.973,1304 0.125,1305 1.037,1306 0.599,1307 0.498,1308 0.891,1309 0.809,1310 0.014,1311 0.842,1312 3.367,1314 4.654,1316 6.159,1318 7.753,1320 9.388,1322 5.992,1328 0.923,1330 5.115,1335 0.813,1340 18.214,1341 41.922,1342 92.295,1343 121.735,1344 125.735,1345 125.735,1346 125.735,1347 18.392,1348 5.153,1349 9.23,1350 9.23,1351 6,1352 11.505,1353 3,1354 2.322,1355 27.931,1356 32,1357 34,1358 0.459,1359 119.03,1360 203.45,1361 282.193,1362 714,1364 10.604,1365 0.757,1366 0.658,1367 10.604,1368 9.209,1369 6.598,1370 0.471,1371 0.347,1372 4.758,1373 6.304,1374 4.5,1375 3.885,1376 6.598,1377 4.854,1378 5.864,1379 0.309,1380 0.216,1381 5.864,1382 4.105,1383 4.424,1384 0.201,1385 0.115,1386 4.424,1387 2.526,1388 3.201,1389 0.139,1390 0.066,1391 3.201,1392 1.521,1393 1.938,1394 0.081,1395 0.031,1396 1.938,1397 0.733,1398 0.683,1399 41.523,1400 0.344,1401 14.185,1402 1.344,1403 66,1404 154.068,1405 71.321,1406 149.656,1407 202.71,1408 140,1409 74,1410 146.799,1411 80.321,1412 153.369,1413 214.46,1414 140,1415 5}
{0 CHEMBL58034,1 1.335,2 5,3 0.281,4 0.079,5 49.094,6 5.938,7 0.5,8 3.379,9 3.525,10 2.733,11 2.824,12 4.395,13 2.765,14 3.913,15 4.155,16 3.04,17 3.21,18 4.805,19 3.134,20 4.165,21 4.37,22 2.91,23 3.416,24 5.081,25 3.233,26 4.421,27 4.791,28 2.732,29 3.268,30 5.026,31 3.023,32 3.816,33 4.037,34 2.535,35 3.01,36 4.749,37 2.832,38 3.919,39 4.243,40 2.315,41 2.843,42 4.736,43 2.615,44 3.537,45 3.815,46 1.204,47 2.259,48 4.543,49 1.984,50 2.831,51 3.305,52 0.12,53 1.283,54 2.944,55 0.81,56 0.043,57 0.375,58 7.027,59 2.513,60 7.051,61 3.773,62 0.124,63 0.58,64 11.764,65 3.782,66 10.258,67 5.893,68 0.084,69 0.707,70 14.761,71 5.917,72 17.86,73 8.521,74 0.158,75 0.687,76 17.453,77 5.94,78 22.512,79 9.196,80 0.142,81 0.472,82 10.433,83 3.842,84 15.706,85 5.612,86 0.087,87 0.428,88 10.818,89 3.771,90 17.037,91 5.67,92 0.157,93 0.238,94 7.721,95 2.168,96 26.784,97 3.164,98 0.032,99 0.091,100 3.031,101 0.973,102 4.717,103 1.586,104 19,105 17,106 0.27,107 0.546,108 0.658,109 0.716,110 0.716,111 0.716,112 2.596,113 1.063,114 0.52,115 0.34,116 0.1,121 35.7,126 3,127 1,144 4,145 1,146 1,176 4,185 2,187 4,189 1,197 2,200 2,203 2,211 1,216 1,226 1,229 1,281 116,282 7.24,283 7.24,284 7.24,285 7.24,286 7.24,287 6.464,288 9.631,289 4.275,290 7.404,291 5.954,292 5.954,293 5.954,294 5.954,295 5.954,296 4.854,297 13.426,298 2.077,299 6.255,300 3.472,301 2.1,302 1.546,303 1.26,304 1.26,305 1.26,306 3.185,311 1,312 1,313 114,314 2.828,318 39.61,325 0.833,326 7.242,329 1,330 0.83,331 0.83,332 0.9,333 1,334 1,335 1,336 0.94,337 25.5,338 60,339 4.21,340 3.542,341 6.456,342 4.055,343 3.141,344 3.671,345 1.26,346 10.201,347 2.882,348 3.911,349 2.77,350 5.423,351 3.535,352 2.565,353 3.082,354 0.245,355 7.21,356 2.476,357 3.221,358 2.202,359 4.701,360 2.85,361 1.885,362 2.448,364 5.17,365 1.809,366 2.66,367 1.247,368 3.485,369 2.182,370 1.188,371 1.734,373 2.597,374 1.179,375 1.135,376 0.204,377 3.088,378 0.873,379 -0.1,380 -0.117,382 -0.286,383 -0.097,384 0.869,385 -0.057,386 2,387 0.494,388 -0.428,389 -0.528,391 -1,392 -0.388,393 0.37,394 -0.6,395 2,396 -0.024,397 -1,398 -1,400 -2.882,401 -0.9,403 -0.6,404 2,405 -0.1,406 -1,407 -1,409 -3,410 -0.9,412 -0.867,413 2,414 -0.1,415 -1,416 -1.301,418 -3,419 -0.972,420 -0.107,421 -1.184,422 1.345,423 -0.458,424 -1.386,425 -1.809,426 -0.4,427 -3.435,428 -1.295,429 -0.5,430 -1.517,431 1.056,432 -0.906,433 -1.865,434 -2.183,435 -0.4,436 -5.415,437 -1.794,438 -0.769,439 -2,440 0.445,441 -1,442 -2,443 -3,444 -0.705,445 -6.161,446 -2,474 5.733,475 0.478,476 0.528,477 0.044,478 13.75,479 1.146,480 6.5,481 0.542,482 7.25,483 0.604,484 7.733,485 0.644,486 14.367,487 0.513,488 8.454,489 0.704,490 2.979,491 0.248,492 2.493,493 0.208,494 0.32,495 0.07,496 0.174,501 1.096,502 1.673,503 1.081,504 1.337,505 1.083,506 1.225,507 1.227,508 0.672,509 0.962,510 0.648,511 0.459,512 0.718,513 0.841,514 1.66,515 1.443,516 1.713,517 1.003,518 1.663,519 0.492,520 0.586,521 0.502,522 0.557,523 0.434,524 0.532,525 1.076,526 1.365,527 1.416,528 1.429,529 1.423,530 1.466,531 0.704,532 0.92,533 0.823,534 0.986,535 0.643,536 0.924,537 3.157,538 0.893,539 1.7,540 0.995,541 3.769,542 1.198,549 4.5,551 0.889,552 1,553 0.582,554 0.354,555 0.12,559 710,560 1453,561 1.799,562 57.1,564 15,567 1,572 1.456,573 1.618,574 2.42,575 -0.244,582 37.387,583 1.335,584 2.707,585 3.261,586 3.547,587 3.547,588 3.547,589 1.825,590 3.022,591 3.562,592 2.513,593 165.841,594 5.851,595 1181.96,597 1,600 134.606,601 1.784,602 3.439,603 0.375,605 0.052,606 0.083,607 0.053,608 0.044,609 0.02,613 0.628,614 1,615 1,616 1.425,617 42.005,618 -0.035,619 -0.351,620 0.018,621 -0.129,622 -0.157,623 -0.069,624 -0.172,625 0.548,626 0.101,627 0.359,628 0.155,629 0.29,630 -0.096,631 -0.535,632 -0.467,633 -0.567,634 -0.16,635 -0.563,636 0.128,637 0.187,638 0.366,639 0.278,640 0.16,641 0.341,642 0.005,643 -0.279,644 -0.409,645 -0.361,646 -0.279,647 -0.43,648 0.088,649 -0.072,650 0.084,651 -0.087,652 0.199,653 -0.008,654 -0.588,655 -0.153,656 -0.621,657 -0.189,658 -0.719,659 -0.393,660 0.279,661 0.478,662 0.736,663 0.634,664 0.282,665 0.724,666 1.319,667 3.203,668 0.5,669 5.333,670 0.984,671 1.136,672 -1.752,673 3.068,674 0.613,675 2.565,676 2.89,677 2.773,678 2.996,679 2.996,680 2.833,681 2.303,682 2.303,685 3.438,686 0.56,687 166.27,688 2.565,689 4.078,690 4.812,691 5.687,692 6.441,693 7.317,694 8.077,695 8.951,696 9.716,697 10.588,698 3.6,712 1,715 4,720 2,722 6,738 1,741 28,743 6,744 1,745 12,747 28,748 10,749 6,750 2,751 4,756 1,757 1,772 6,773 4,793 16,794 1,795 1,796 2,802 1,803 1,807 1,808 1,809 1,829 1,859 1,864 3,868 12,875 1,876 1,883 1,893 3.6,895 1,901 7.417,902 5.783,903 2.542,904 1.606,907 1.184,908 1.244,909 0.843,910 2.503,911 6.044,912 2.773,913 3.314,914 3.59,915 4.105,916 4.492,917 4.298,918 3.944,919 4.123,922 1,923 12,924 4.413,925 0.006,926 1.709,927 0.026,929 7.694,931 8.54,932 0.002,933 6.538,934 0.004,936 2.194,937 26.333,938 0.014,941 176.567,942 68.385,945 42.683,948 68.385,949 219.25,951 25.189,952 2.106,953 37.905,954 42.683,955 3.186,957 176.567,959 176.567,960 68.385,961 42.683,964 176.567,965 42.683,968 2.106,969 66.28,972 176.567,973 42.683,974 68.385,977 176.567,978 5.291,979 63.094,981 42.683,982 176.567,983 42.683,984 68.385,986 0.591,987 0.252,988 0.133,989 0.069,990 8,991 4,992 0.071,993 2,995 1,996 2.295,997 63.144,999 6,1000 38.265,1005 9.233,1006 3.254,1007 3.403,1009 42.683,1010 7.409,1015 1.517,1017 42.683,1018 287.635,1019 15,1031 27.556,1032 31.822,1034 0.278,1035 0.563,1036 0.678,1037 0.738,1038 0.738,1039 0.738,1040 3.998,1041 -1,1042 4.905,1043 -2.882,1044 3.555,1045 3.989,1046 1.242,1047 5.694,1048 3.457,1049 5.243,1050 -1,1051 6.463,1052 -3,1053 3.611,1054 3.951,1055 0.931,1056 6.986,1057 3.377,1058 6.564,1059 -1.386,1060 8.131,1061 -3,1062 5.252,1063 6.081,1064 1.34,1065 9.739,1066 5.021,1067 7.908,1068 -1.865,1069 9.859,1070 -3.435,1071 5.943,1072 6.596,1073 1.381,1074 11.687,1075 5.554,1076 9.27,1077 -2,1078 11.623,1079 -5.415,1080 7.251,1081 8.396,1082 1.635,1083 14.131,1084 6.852,1085 10.645,1087 13.409,1088 -6.161,1089 8.192,1090 9.181,1091 1.783,1092 16.311,1093 7.646,1094 12.029,1096 15.211,1098 9.386,1099 10.814,1100 2.002,1101 18.667,1102 8.804,1103 3.141,1105 17.025,1107 10.435,1108 11.764,1109 2.192,1110 20.934,1111 9.723,1112 2.565,1113 10.201,1114 18.849,1116 11.588,1117 13.292,1118 2.407,1119 23.265,1120 10.818,1121 1.885,1122 7.21,1123 20.68,1124 3.671,1125 12.685,1126 14.351,1127 2.615,1128 25.565,1129 11.8,1130 1.188,1131 5.17,1132 22.517,1133 3.082,1134 13.825,1135 15.807,1136 2.833,1137 27.888,1138 12.867,1139 -0.1,1140 2.597,1141 24.359,1142 2.448,1143 14.944,1144 16.941,1145 3.05,1146 30.202,1147 13.881,1148 -0.428,1149 -0.286,1150 26.205,1151 1.734,1152 16.082,1153 18.347,1154 3.272,1155 32.524,1156 14.938,1157 -1,1158 -1,1159 28.054,1160 -0.117,1161 17.212,1162 19.534,1163 3.495,1164 34.842,1165 15.969,1166 823,1167 1230,1168 7.049,1169 17.171,1170 18.003,1171 17.429,1172 17.974,1173 17.644,1174 17.558,1175 21.873,1176 3.01,1177 50.358,1178 16.693,1179 4.979,1180 5.542,1181 6.011,1182 5.055,1183 5.141,1184 6.671,1185 1.965,1186 16.362,1187 4.882,1188 7.183,1189 1.5,1190 1.452,1191 1.498,1192 1.47,1193 1.463,1194 1.823,1195 0.251,1196 4.197,1197 1.391,1198 3.962,1199 4.009,1200 3.885,1201 3.866,1202 6.471,1203 3.865,1204 3.713,1205 3.782,1206 3.583,1207 3.49,1208 4.642,1209 3.502,1210 3.017,1211 3.078,1212 2.875,1213 2.862,1214 4.342,1215 2.849,1216 2.915,1217 3.009,1218 2.759,1219 2.745,1220 3.661,1221 2.745,1222 2.874,1223 3.009,1224 2.499,1225 2.618,1226 3.467,1227 2.57,1228 2.874,1229 2.965,1230 2.499,1231 2.618,1232 3.467,1233 2.57,1234 2.408,1235 2.525,1236 2.088,1237 2.174,1238 3.393,1239 2.136,1240 2.18,1241 2.27,1242 1.882,1243 1.607,1244 2.878,1245 1.666,1246 0.351,1247 0.295,1248 0.538,1249 0.338,1250 0.262,1251 4.21,1252 0.306,1253 3.542,1254 0.105,1255 6.456,1256 0.85,1257 4.055,1258 0.24,1259 3.141,1260 3.671,1261 1.26,1262 10.201,1263 2.882,1264 1.926,1265 1.894,1266 2.067,1267 2.076,1268 1.283,1269 2.078,1270 1.668,1271 1.587,1272 1.896,1273 1.886,1274 0.998,1275 1.893,1276 1.021,1277 0.955,1278 1.417,1279 1.239,1280 0.505,1281 1.308,1282 0.934,1283 0.838,1284 1.417,1285 1.239,1286 0.469,1287 1.308,1288 0.934,1289 0.804,1290 1.336,1291 1.234,1292 0.469,1293 1.267,1294 0.883,1295 0.804,1296 1.135,1297 1.127,1298 0.149,1299 1.13,1300 0.449,1301 0.335,1302 0.882,1303 0.739,1305 0.793,1306 0.025,1308 0.582,1309 0.578,1311 0.592,1312 3.219,1314 4.533,1316 5.999,1318 7.533,1320 9.1,1322 6.387,1327 9.203,1328 0.939,1335 0.878,1340 15.687,1341 37.387,1342 75.797,1343 91.322,1344 99.322,1345 99.322,1346 99.322,1347 16.485,1348 4.86,1349 20.23,1350 20.23,1351 6,1352 11.153,1353 2.807,1354 2,1355 21.93,1356 24,1357 18,1358 0.481,1359 102.773,1360 171.49,1361 242.525,1362 493,1364 9.19,1365 0.766,1366 0.664,1367 9.19,1368 7.964,1369 5.472,1370 0.456,1371 0.354,1372 4.175,1373 5.26,1374 3.93,1375 3.417,1376 5.472,1377 4.252,1378 5.903,1379 0.347,1380 0.259,1381 5.903,1382 4.407,1383 2.946,1384 0.196,1385 0.11,1386 2.946,1387 1.645,1388 2.611,1389 0.137,1390 0.067,1391 2.611,1392 1.279,1393 1.673,1394 0.088,1395 0.037,1396 1.673,1397 0.694,1398 0.706,1399 34.337,1400 0.377,1401 12.076,1402 1.436,1403 58,1404 126.483,1405 61.88,1406 127.216,1407 166.96,1408 116,1409 61,1410 118.439,1411 65.825,1412 125.88,1413 173.37,1414 114,1415 5}
{0 CHEMBL58190,1 1.374,2 8.5,3 1.893,4 3.584,5 78.309,6 6.759,7 0.571,8 3.749,9 3.87,10 3.233,11 3.276,12 4.82,13 3.236,14 4.274,15 4.466,16 3.567,17 3.638,18 5.325,19 3.583,20 4.525,21 4.712,22 3.551,23 3.826,24 5.489,25 3.717,26 4.674,27 4.94,28 3.518,29 3.857,30 5.506,31 3.704,32 4.639,33 4.881,34 3.499,35 3.84,36 5.559,37 3.696,38 4.633,39 4.893,40 3.316,41 3.742,42 5.507,43 3.575,44 4.407,45 4.682,46 3.148,47 3.52,48 5.32,49 3.357,50 4.204,51 4.449,52 2.762,53 3.222,54 5.246,55 3.056,56 0.024,57 0.53,58 8.926,59 3.816,60 6.225,61 5.167,62 0.232,63 0.853,64 16.16,65 5.846,66 23.726,67 8.243,68 0.201,69 1.046,70 20.833,71 8.081,72 28.276,73 10.976,74 0.212,75 1.18,76 24.511,77 9.522,78 27.833,79 13.731,80 0.172,81 1.131,82 23.566,83 9.246,84 31.588,85 12.976,86 0.312,87 1.064,88 24.107,89 9.005,90 36.545,91 12.555,92 0.139,93 0.858,94 18.933,95 7.278,96 27.18,97 10.34,98 0.226,99 0.646,100 15.956,101 5.639,102 42.736,103 7.546,104 19,105 29,106 0.246,107 0.518,108 0.672,109 0.782,110 0.808,111 0.808,112 3.057,113 0.972,114 -1.24,115 -1.33,116 -1.4,121 42.5,122 1,126 2,127 1,144 9,145 1,146 2,160 1,176 8,179 1,180 4,187 9,189 3,192 1,200 4,203 3,206 3,208 1,214 4,216 3,219 1,227 6,229 1,232 2,234 1,239 8,241 1,244 2,251 6,256 3,264 4,269 3,277 3,281 504,282 12.955,283 12.955,284 12.955,285 12.955,286 12.955,287 11.312,288 15.735,289 7.817,290 13.18,291 10.405,292 10.405,293 10.405,294 10.405,295 10.405,296 8.033,297 23.211,298 3.756,299 10.795,300 3.948,301 2.428,302 1.57,303 0.957,304 0.807,305 0.807,306 3.711,310 1,311 1,312 1,313 348,314 3.536,318 141.106,325 1.4,326 12.743,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 42.5,338 170,339 4.515,340 3.753,341 7.311,342 4.318,343 3.397,344 3.9,345 2.443,346 12.528,347 3.134,348 3.934,349 3.649,350 5.529,351 3.545,352 2.593,353 3.456,354 1.26,355 7.484,356 2.486,357 3.783,358 2.701,359 5.329,360 3.394,361 2.413,362 3.124,363 0.286,364 6.832,365 2.333,366 3.411,367 2.558,368 4.728,369 2.999,370 2,371 2.601,372 0.245,373 5.052,374 1.975,375 2.948,376 1.767,377 4.339,378 2.521,379 1.535,380 2.112,382 4.093,383 1.509,384 2.81,385 1.504,386 3.61,387 2.375,388 1.386,389 1.924,391 3.024,392 1.366,393 2.568,394 1.154,395 3.483,396 2.101,397 1.109,398 1.596,400 2.532,401 1.099,402 2.5,403 1,404 3.247,405 2,406 1,407 1.5,409 2.136,410 1,411 1.184,412 0.746,413 3.078,414 0.853,415 -0.121,416 -0.141,418 -0.321,419 -0.117,420 1.105,421 0.176,422 2.619,423 0.782,424 -0.152,425 -0.185,427 -0.392,428 -0.14,429 0.668,430 0.118,431 2.507,432 0.231,433 -0.744,434 -0.962,436 -1.972,437 -0.72,438 0.543,439 -0.555,440 2,441 0.101,442 -1,443 -1,445 -2,446 -0.9,447 0.5,448 -0.6,449 1.759,451 -1,452 -1.226,454 -2.347,455 -0.958,456 0.33,457 -0.701,458 1.699,459 -0.033,460 -1,461 -1.27,463 -2.544,464 -0.964,465 0.259,466 -0.845,467 1.557,468 -0.034,469 -1,470 -1.5,472 -2.703,473 -1,474 9.567,475 0.478,476 0.615,477 0.031,478 26.25,479 1.313,480 14,481 0.7,482 12.25,483 0.613,484 14.018,485 0.701,486 21.933,487 0.548,488 18.543,489 0.927,490 5.54,491 0.277,492 3.931,493 0.197,494 0.192,495 0.042,496 0.209,501 0.768,502 1.429,503 0.873,504 1.202,505 0.624,506 1.071,507 0.882,508 0.927,509 0.867,510 0.842,511 0.433,512 0.827,513 1.316,514 1.234,515 1.268,516 1.189,517 1.083,518 1.22,519 0.512,520 0.992,521 0.865,522 0.979,523 0.434,524 0.965,525 0.822,526 1.092,527 1.021,528 1.107,529 0.816,530 1.09,531 1.114,532 0.917,533 1.08,534 0.962,535 0.837,536 1.016,537 0.723,538 0.938,539 0.887,540 0.996,541 0.838,542 0.963,543 1.855,544 0.978,545 1.32,546 1.051,547 2.548,548 1.122,549 5.5,550 0.037,551 2,552 1.563,553 1.191,554 0.632,555 0.447,556 0.111,557 0.103,558 0.066,559 3465,560 8654,561 1.955,562 50,564 17,568 3,572 1.619,573 1.805,574 3.101,575 -0.836,577 1,579 1,582 54.952,583 1.374,584 2.894,585 3.752,586 4.365,587 4.515,588 4.515,589 2.528,590 3.484,591 4.292,592 3.22,593 611.708,594 7.341,595 6254.64,596 1,597 1,599 1,600 212.877,601 1.619,602 4.225,603 0.262,604 0.007,605 0.069,606 0.058,607 0.046,608 0.025,609 0.022,610 0.007,611 0.01,612 0.008,613 0.515,614 0.83,615 1,616 1.113,617 88.484,618 0.023,619 -0.257,620 0.058,621 -0.124,622 -0.06,623 -0.047,624 0.147,625 0.211,626 0.116,627 0.14,628 0.227,629 0.137,630 -0.201,631 -0.185,632 -0.296,633 -0.181,634 -0.185,635 -0.243,636 0.104,637 -0.01,638 0.076,639 -0.003,640 0.081,641 0.027,642 -0.027,643 -0.108,644 -0.07,645 -0.119,646 -0.023,647 -0.101,648 -0.056,649 0.016,650 -0.097,651 0.001,652 -0.075,653 -0.049,654 0.038,655 -0.002,656 0.071,657 -0.029,658 0.08,659 0.021,660 -0.266,661 -0.09,662 -0.283,663 -0.107,664 -0.384,665 -0.188,666 1.962,667 4.038,668 0.6,669 14.52,670 0.991,671 1.122,672 0.011,674 0.654,675 3.091,676 3.401,677 3.526,678 3.738,679 3.892,680 3.784,681 3.871,682 3.714,683 3.638,684 3.434,685 5.132,686 0.611,687 270.38,688 3.091,689 4.615,690 5.416,691 6.286,692 7.112,693 7.987,694 8.825,695 9.701,696 10.547,697 11.423,698 2.5,712 1,715 9,720 3,722 12,741 40,743 13,744 2,745 21,747 41,748 17,749 12,750 3,751 9,756 2,757 2,763 1,772 13,773 4,777 1,782 1,786 1,789 1,790 1,793 20,794 2,796 3,802 1,803 1,807 1,808 1,809 2,829 2,846 1,859 2,864 3,868 20,876 1,878 1,883 1,893 5,896 1,898 1,901 11.083,902 8.083,903 4.375,904 2.354,907 2.169,908 1.353,909 0.917,910 4.331,911 8.313,912 3.367,913 3.912,914 4.331,915 4.85,916 5.327,917 5.259,918 5.553,919 5.663,920 5.829,921 5.981,922 0.833,923 27,924 7.356,926 2.952,927 0.026,929 7.708,931 14.129,933 11.041,936 2.208,937 44.167,938 0.001,941 235.422,942 131.387,945 36.145,948 131.387,949 271.567,951 25.618,952 2.106,953 85.286,954 32.336,955 22.186,957 235.422,959 235.422,960 131.387,961 36.145,964 235.422,965 36.145,968 10.931,969 120.456,972 235.422,973 36.145,974 131.387,977 235.422,978 20.483,979 110.904,981 36.145,982 235.422,983 36.145,984 131.387,986 0.579,987 0.304,988 0.162,989 0.09,990 13,991 6,992 0.122,993 5,995 1,996 3.172,997 141.362,999 12,1000 80.439,1005 14.448,1006 5.995,1007 4.016,1009 36.145,1010 18.04,1015 2.97,1018 402.954,1019 28,1024 11.038,1028 -0.296,1031 39.651,1032 44.862,1034 0.258,1035 0.544,1036 0.705,1037 0.82,1038 0.848,1039 0.848,1040 4.585,1041 1,1042 5.442,1043 2.532,1044 4.078,1045 4.595,1046 2.603,1047 6.263,1048 3.999,1049 5.801,1050 -0.121,1051 7.017,1052 2.136,1053 3.892,1054 4.35,1055 2.394,1056 7.535,1057 3.7,1058 7.108,1059 -0.152,1060 8.717,1061 -0.321,1062 5.74,1063 6.689,1064 3.9,1065 10.529,1066 5.533,1067 8.449,1068 -0.744,1069 10.5,1070 -0.392,1071 6.347,1072 7.132,1073 4.31,1074 12.652,1075 5.997,1076 9.819,1077 -1,1078 12.341,1079 -1.972,1080 7.77,1081 9.038,1082 5.503,1083 15.302,1084 7.397,1085 11.212,1086 -1,1087 14.222,1088 -2,1089 8.728,1090 9.829,1091 6.169,1092 17.705,1093 8.215,1094 12.623,1095 -1,1096 16.132,1097 -2.347,1098 10.004,1099 11.515,1100 7.213,1101 20.267,1102 9.445,1103 3.397,1104 -1,1105 18.064,1106 -2.544,1107 11.114,1108 12.511,1109 7.995,1110 22.756,1111 10.433,1112 2.593,1113 12.528,1114 20.011,1115 -2.703,1116 12.343,1117 14.067,1118 8.964,1119 25.294,1120 11.598,1121 2.413,1122 7.484,1123 21.969,1124 3.9,1125 13.516,1126 15.192,1127 9.802,1128 27.809,1129 12.666,1130 2,1131 6.832,1132 23.936,1133 3.456,1134 14.734,1135 16.668,1136 10.734,1137 30.341,1138 13.809,1139 1.535,1140 5.052,1141 25.909,1142 3.124,1143 15.935,1144 17.875,1145 11.6,1146 32.865,1147 14.914,1148 1.386,1149 4.093,1150 27.886,1151 2.601,1152 17.152,1153 19.302,1154 12.512,1155 35.394,1156 16.052,1157 1.109,1158 3.024,1159 29.867,1160 2.112,1161 18.364,1162 20.563,1163 13.391,1164 37.92,1165 17.175,1166 3556,1167 5708,1168 13.405,1169 26.148,1170 31.607,1171 31.598,1172 31.595,1173 30.966,1174 30.864,1175 40.423,1176 8.467,1177 87.364,1178 29.805,1179 5.345,1180 5.753,1181 7.113,1182 5.342,1183 5.397,1184 6.9,1185 4.174,1186 19.929,1187 5.134,1188 10.603,1189 1.505,1190 1.505,1191 1.505,1192 1.475,1193 1.47,1194 1.925,1195 0.403,1196 4.16,1197 1.419,1198 4.023,1199 4.067,1200 3.956,1201 3.916,1202 7.434,1203 3.919,1204 3.86,1205 3.888,1206 3.792,1207 3.797,1208 4.836,1209 3.792,1210 3.595,1211 3.651,1212 3.491,1213 3.372,1214 4.738,1215 3.387,1216 3.456,1217 3.498,1218 3.336,1219 3.236,1220 4.314,1221 3.254,1222 2.983,1223 3.063,1224 2.803,1225 2.849,1226 4.108,1227 2.828,1228 2.874,1229 3.009,1230 2.713,1231 2.735,1232 3.674,1233 2.715,1234 2.861,1235 2.925,1236 2.687,1237 2.714,1238 3.656,1239 2.705,1240 2.854,1241 2.917,1242 2.553,1243 2.618,1244 3.652,1245 2.577,1246 0.215,1247 0.179,1248 0.348,1249 0.206,1250 0.162,1251 4.515,1252 0.186,1253 3.753,1254 0.116,1255 7.311,1256 0.597,1257 4.318,1258 0.149,1259 3.397,1260 3.9,1261 2.443,1262 12.528,1263 3.134,1264 1.971,1265 1.935,1266 2.097,1267 2.113,1268 1.309,1269 2.111,1270 1.863,1271 1.837,1272 1.985,1273 1.951,1274 1.068,1275 1.964,1276 1.539,1277 1.47,1278 1.78,1279 1.774,1280 0.88,1281 1.775,1282 1.395,1283 1.349,1284 1.678,1285 1.642,1286 0.692,1287 1.651,1288 1.017,1289 0.943,1290 1.417,1291 1.239,1292 0.512,1293 1.308,1294 0.934,1295 0.821,1296 1.35,1297 1.218,1298 0.469,1299 1.268,1300 0.886,1301 0.804,1302 1.181,1303 1.066,1304 0.218,1305 1.107,1306 0.855,1307 0.801,1308 1.121,1309 1.062,1310 0.178,1311 1.081,1312 3.761,1314 5.069,1316 6.564,1318 8.143,1320 9.767,1322 5.691,1328 0.879,1330 5.151,1335 0.694,1340 24.456,1341 54.952,1342 115.765,1343 150.083,1344 174.612,1345 180.612,1346 180.612,1347 30.587,1348 6.144,1349 26.3,1350 26.3,1351 12,1352 11.968,1353 3.807,1354 3,1355 36.346,1356 60,1357 56,1358 0.3,1359 154.812,1360 267.56,1361 369.502,1362 3046,1364 14.588,1365 0.729,1366 0.611,1367 14.588,1368 12.22,1369 9.471,1370 0.451,1371 0.324,1372 6.706,1373 9.126,1374 6.414,1375 5.436,1376 9.471,1377 6.802,1378 9.056,1379 0.312,1380 0.195,1381 9.056,1382 5.668,1383 6.232,1384 0.189,1385 0.102,1386 6.232,1387 3.366,1388 5.183,1389 0.126,1390 0.057,1391 5.183,1392 2.355,1393 3.969,1394 0.083,1395 0.032,1396 3.969,1397 1.524,1398 0.46,1399 59.042,1400 0.273,1401 19.897,1402 0.849,1403 100,1404 265.804,1405 108.974,1406 257.731,1407 348.17,1408 240,1409 112,1410 255.163,1411 120.481,1412 259.522,1413 368.28,1414 242,1415 5}
{0 CHEMBL58194,1 1.31,2 5.571,3 1.142,4 1.305,5 58.19,6 6.01,7 0.429,8 3.504,9 3.646,10 2.882,11 2.958,12 4.522,13 2.902,14 4.035,15 4.264,16 3.159,17 3.301,18 4.883,19 3.231,20 4.235,21 4.44,22 3.272,23 3.543,24 5.104,25 3.421,26 4.491,27 4.763,28 3.248,29 3.614,30 5.3,31 3.456,32 4.469,33 4.729,34 2.926,35 3.547,36 5.311,37 3.343,38 4.347,39 4.684,40 2.316,41 3.27,42 5.013,43 2.951,44 3.94,45 4.348,46 1.506,47 2.608,48 4.443,49 2.224,50 2.749,51 3.106,52 0.548,53 1.65,54 3.367,55 1.298,56 0.04,57 0.424,58 7.903,59 2.912,60 8.46,61 4.307,62 0.154,63 0.643,64 13.399,65 4.171,66 12.016,67 6.436,68 0.155,69 0.798,70 16.103,71 6.135,72 13.697,73 8.948,74 0.164,75 0.911,76 20.165,77 7.334,78 22.575,79 10.809,80 0.226,81 0.853,82 19.866,83 7.163,84 29.758,85 10.347,86 0.108,87 0.692,88 16.353,89 6.47,90 23.24,91 9.524,92 0.102,93 0.387,94 10.446,95 3.749,96 15.828,97 5.688,98 0.019,99 0.125,100 3.05,101 1.2,102 5.563,103 1.802,104 23,105 19,106 0.253,107 0.558,108 0.748,109 0.796,110 0.808,111 0.808,112 2.734,113 1.041,114 -0.23,115 -0.37,116 -0.54,121 37.5,126 3,127 1,136 1,137 1,144 4,146 2,176 4,180 1,187 2,189 2,192 2,194 1,200 1,203 3,206 1,214 1,216 1,219 1,227 3,232 1,239 3,251 1,281 192,282 9.162,283 9.162,284 9.162,285 9.162,286 9.162,287 8.32,288 11.969,289 5.479,290 9.465,291 6.786,292 6.786,293 6.786,294 6.786,295 6.786,296 5.504,297 15.48,298 2.346,299 7.207,300 3.69,301 2.116,302 1.133,303 0.883,304 0.821,305 0.821,306 3.338,311 1,312 1,313 149,314 3.162,318 47.935,325 0.857,326 5.979,329 1,330 0.83,331 0.83,332 0.9,333 1,334 1,335 1,336 0.94,337 29.5,338 78,339 4.569,340 3.77,341 7.396,342 4.347,343 3.425,344 4.006,345 1.26,346 12.852,347 3.159,348 3.706,349 2.792,350 5.705,351 3.376,352 2.438,353 2.93,354 0.86,355 7.544,356 2.281,357 2.917,358 1.762,359 4.318,360 2.464,361 1.502,362 2.086,363 0.245,364 3.523,365 1.438,366 2.739,367 1.549,368 3.64,369 2.266,370 1.278,371 1.748,373 2.9,374 1.26,375 2.508,376 1.172,377 3.302,378 1.987,379 1,380 1.374,382 1.743,383 0.986,384 1.639,385 0.938,386 2.778,387 1.346,388 0.473,389 0.536,391 0.716,392 0.409,393 0.885,394 -0.178,395 2.474,396 0.46,397 -0.497,398 -0.648,400 -0.785,401 -0.47,402 0.705,403 -0.316,404 2,405 0.334,406 -0.603,407 -0.736,409 -1.186,410 -0.558,411 0.562,412 -0.6,413 2,414 0.095,415 -0.886,416 -1,418 -2.111,419 -0.864,421 -0.775,422 2,423 -0.1,424 -1,425 -1.23,427 -3,428 -0.9,429 -0.429,430 -1.226,431 1.299,432 -0.653,433 -1.594,434 -1.86,435 -0.4,436 -4.225,437 -1.472,438 -0.5,439 -1.308,440 0.494,441 -0.774,442 -1.665,443 -2.037,444 -0.4,445 -4.726,446 -1.521,447 -0.543,448 -1.582,449 0.31,450 -0.946,451 -1.871,452 -2.168,453 -0.705,454 -5.573,455 -1.748,456 -0.759,457 -2,458 0.283,459 -1,460 -2,461 -3,462 -0.86,463 -7.67,464 -2,474 6.733,475 0.481,476 0.385,477 0.028,478 16,479 1.143,480 7.5,481 0.536,482 8.5,483 0.607,484 9.596,485 0.685,486 16.367,487 0.511,488 10.826,489 0.773,490 3.635,491 0.26,492 2.979,493 0.213,494 0.297,495 0.059,496 0.149,501 0.995,502 1.696,503 1.031,504 1.399,505 1.143,506 1.241,507 1.786,508 0.821,509 1.014,510 0.695,511 1.007,512 0.746,513 0.849,514 1.337,515 1.145,516 1.298,517 0.873,518 1.257,519 1.018,520 1.019,521 0.964,522 1.018,523 0.796,524 0.987,525 1.712,526 1.032,527 1.374,528 1.126,529 1.692,530 1.213,531 0.406,532 0.998,533 0.94,534 1.086,535 0.717,536 1.074,537 0.518,538 0.425,539 0.512,540 0.466,541 0.718,542 0.491,543 0.143,544 0.973,545 0.897,546 1.065,547 1.518,548 1.06,549 3.5,551 2.222,552 1.5,553 0.64,554 0.333,555 0.101,556 0.028,559 1004,560 2130,561 1.827,562 56.3,564 18,572 1.517,573 1.663,574 2.521,575 -0.835,579 1,582 41.922,583 1.31,584 2.884,585 3.867,586 4.117,587 4.179,588 4.179,589 1.924,590 3.325,591 3.777,592 2.576,593 234.417,594 6.336,595 1850.16,597 1,600 160,601 1.689,602 3.682,603 0.25,605 0.117,606 0.075,607 0.034,608 0.028,609 0.02,610 0.014,613 0.538,614 0.83,615 1,616 1.733,617 51.932,618 0.077,619 -0.417,620 0.057,621 -0.226,622 -0.111,623 -0.11,624 -0.209,625 0.335,626 0.085,627 0.282,628 -0.033,629 0.228,630 0.106,631 -0.196,632 -0.123,633 -0.207,634 -0.042,635 -0.193,636 -0.011,637 -0.032,638 0.016,639 -0.038,640 0.112,641 -0.009,642 -0.293,643 -0.068,644 -0.366,645 -0.155,646 -0.383,647 -0.254,648 0.047,649 -0.164,650 -0.075,651 -0.16,652 0.077,653 -0.135,654 0.09,655 0.25,656 0.327,657 0.325,658 0.193,659 0.344,660 0.082,661 -0.201,662 -0.077,663 -0.187,664 -0.333,665 -0.154,666 0.743,667 1.828,668 0.429,669 6.612,670 0.982,671 1.132,672 -1.001,673 1.003,674 0.623,675 2.708,676 2.996,677 3.178,678 3.332,679 3.296,680 2.944,681 2.708,682 2.197,683 1.946,684 1.099,685 3.558,686 0.569,687 192.31,688 2.708,689 4.205,690 5.017,691 5.894,692 6.735,693 7.618,694 8.466,695 9.35,696 10.201,697 11.084,698 3.1,712 1,715 4,720 2,722 6,739 1,741 32,743 7,744 1,745 14,747 32,748 12,749 6,750 2,751 4,756 1,757 1,772 8,773 4,777 1,778 1,784 1,790 1,793 18,794 1,796 2,802 1,803 1,807 1,808 1,809 1,829 1,848 1,849 1,859 1,864 3,868 14,876 1,878 1,883 1,893 3.1,898 1,901 8.417,902 6.583,903 3.319,904 1.792,907 1.319,908 1.256,909 0.871,910 3.446,911 6.472,912 2.944,913 3.418,914 3.887,915 4.355,916 4.703,917 4.523,918 4.564,919 4.202,920 4.123,921 3.169,922 0.75,923 20,924 5.131,925 0.002,926 1.937,927 0.026,929 7.56,931 9.951,932 0.001,933 7.427,934 0.001,936 2.06,937 28.833,938 0.008,941 211.88,942 100.93,945 11,948 100.93,949 222.88,951 27.676,952 17.873,953 47.381,955 19,957 211.88,959 211.88,960 100.93,961 11,964 211.88,965 11,968 2.106,969 89.348,970 9.476,972 211.88,973 11,974 100.93,977 211.88,978 10.106,979 75.057,981 26.767,982 211.88,983 11,984 100.93,986 0.562,987 0.339,988 0.188,989 0.086,990 8,991 4,992 0.125,993 4,995 1,996 2.443,997 81.904,999 6,1000 51.303,1005 10.961,1006 4.401,1007 2.444,1009 11,1010 8.081,1015 2.106,1018 323.81,1019 18,1020 3.77,1026 1.923,1031 31.44,1032 36.237,1034 0.262,1035 0.577,1036 0.773,1037 0.823,1038 0.836,1039 0.836,1040 4.151,1041 -0.603,1042 5.069,1043 -0.785,1044 3.664,1045 4.094,1046 1.598,1047 5.974,1048 3.544,1049 5.362,1050 -0.886,1051 6.708,1052 -1.186,1053 3.611,1054 3.951,1055 0.931,1056 7.486,1057 3.357,1058 6.688,1059 -1,1060 8.485,1061 -2.111,1062 5.425,1063 6.215,1064 1.592,1065 10.494,1066 5.148,1067 8.061,1068 -1.594,1069 10.344,1070 -3,1071 6.196,1072 6.864,1073 1.381,1074 12.736,1075 5.778,1076 9.472,1077 -1.665,1078 12.251,1079 -4.225,1080 7.595,1081 8.672,1082 1.781,1083 15.414,1084 7.143,1085 10.911,1086 -1.871,1087 14.187,1088 -4.726,1089 8.665,1090 9.681,1091 1.783,1092 17.867,1093 8.092,1094 12.37,1095 -2,1096 16.143,1097 -5.573,1098 9.94,1099 11.287,1100 2.08,1101 20.459,1102 9.312,1103 3.425,1105 18.111,1106 -7.67,1107 11.113,1108 12.473,1109 2.192,1110 22.979,1111 10.383,1112 2.438,1113 12.852,1114 20.087,1116 12.353,1117 13.978,1118 2.446,1119 25.546,1120 11.555,1121 1.502,1122 7.544,1123 22.07,1124 4.006,1125 13.562,1126 15.256,1127 2.615,1128 28.088,1129 12.673,1130 1.278,1131 3.523,1132 24.057,1133 2.93,1134 14.793,1135 16.709,1136 2.852,1137 30.646,1138 13.829,1139 1,1140 2.9,1141 26.047,1142 2.086,1143 16.016,1144 18.036,1145 3.05,1146 33.195,1147 14.965,1148 0.473,1149 1.743,1150 28.04,1151 1.748,1152 17.246,1153 19.46,1154 3.282,1155 35.75,1156 16.117,1157 -0.497,1158 0.716,1159 30.035,1160 1.374,1161 18.473,1162 20.814,1163 3.495,1164 38.302,1165 17.261,1166 1165,1167 1735,1168 8.436,1169 19.932,1170 20.728,1171 20.541,1172 21.708,1173 20.256,1174 20.233,1175 25.359,1176 4.73,1177 58.553,1178 19.065,1179 5.328,1180 5.77,1181 7.113,1182 5.347,1183 5.425,1184 7.006,1185 2.12,1186 20.522,1187 5.159,1188 7.996,1189 1.481,1190 1.467,1191 1.551,1192 1.447,1193 1.445,1194 1.811,1195 0.338,1196 4.182,1197 1.362,1198 3.994,1199 4.04,1200 3.929,1201 3.874,1202 4.878,1203 3.881,1204 3.658,1205 3.716,1206 3.533,1207 3.511,1208 4.704,1209 3.507,1210 3.337,1211 3.42,1212 3.153,1213 3.162,1214 4.394,1215 3.15,1216 3.249,1217 3.315,1218 3.062,1219 2.967,1220 4.186,1221 2.977,1222 2.874,1223 3.009,1224 2.612,1225 2.666,1226 3.572,1227 2.644,1228 2.796,1229 2.87,1230 2.499,1231 2.618,1232 3.467,1233 2.57,1234 2.681,1235 2.774,1236 2.476,1237 2.535,1238 3.353,1239 2.512,1240 2.568,1241 2.676,1242 2.23,1243 2.334,1244 3.155,1245 2.291,1246 0.326,1247 0.269,1248 0.528,1249 0.311,1250 0.245,1251 4.569,1252 0.286,1253 3.77,1254 0.09,1255 7.396,1256 0.918,1257 4.347,1258 0.226,1259 3.425,1260 4.006,1261 1.26,1262 12.852,1263 3.159,1264 1.938,1265 1.903,1266 2.067,1267 2.096,1268 1.273,1269 2.091,1270 1.648,1271 1.587,1272 1.86,1273 1.819,1274 0.942,1275 1.835,1276 1.351,1277 1.268,1278 1.66,1279 1.562,1280 0.64,1281 1.601,1282 1.197,1283 1.124,1284 1.573,1285 1.511,1286 0.574,1287 1.532,1288 0.934,1289 0.804,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.828,1295 0.759,1296 1.149,1297 1.014,1298 0.183,1299 1.062,1300 0.709,1301 0.631,1302 1.114,1303 0.971,1304 0.126,1305 1.029,1306 0.614,1307 0.503,1308 0.919,1309 0.835,1310 0.04,1311 0.87,1312 3.367,1314 4.654,1316 6.172,1318 7.794,1320 9.466,1322 5.978,1328 0.889,1330 5.328,1335 0.757,1340 18.214,1341 41.922,1342 92.295,1343 123.735,1344 131.735,1345 133.735,1346 133.735,1347 19.107,1348 5.153,1349 9.23,1350 9.23,1351 6,1352 11.624,1353 3,1354 2.322,1355 27.578,1356 28,1357 32,1358 0.513,1359 119.03,1360 203.45,1361 282.193,1362 714,1364 10.604,1365 0.757,1366 0.658,1367 10.604,1368 9.209,1369 6.615,1370 0.472,1371 0.347,1372 4.764,1373 6.327,1374 4.508,1375 3.894,1376 6.615,1377 4.86,1378 5.798,1379 0.305,1380 0.215,1381 5.798,1382 4.077,1383 4.332,1384 0.188,1385 0.108,1386 4.332,1387 2.491,1388 3.555,1389 0.132,1390 0.062,1391 3.555,1392 1.675,1393 2.275,1394 0.088,1395 0.034,1396 2.275,1397 0.877,1398 0.735,1399 41.624,1400 0.344,1401 13.868,1402 1.626,1403 66,1404 154.068,1405 71.321,1406 149.526,1407 203.31,1408 140,1409 75,1410 147.799,1411 81.875,1412 154.222,1413 217.84,1414 141,1415 6}
{0 CHEMBL58252,1 1.339,2 6.077,3 0.891,4 0.794,5 53.421,6 6.148,7 0.462,8 3.413,9 3.554,10 2.796,11 2.881,12 4.49,13 2.826,14 3.914,15 4.136,16 3.103,17 3.241,18 4.851,19 3.17,20 4.19,21 4.401,22 3.132,23 3.471,24 5.148,25 3.336,26 4.406,27 4.706,28 2.914,29 3.486,30 5.194,31 3.274,32 4.239,33 4.549,34 2.566,35 3.292,36 4.992,37 3.026,38 3.963,39 4.313,40 2.284,41 2.821,42 4.755,43 2.578,44 3.335,45 3.576,46 1.632,47 2.142,48 4.534,49 1.984,50 2.836,51 3.211,52 1.023,53 1.506,54 3.746,55 1.26,56 0.042,57 0.389,58 7.068,59 2.602,60 8.637,61 3.842,62 0.106,63 0.601,64 11.693,65 3.807,66 10.882,67 5.916,68 0.109,69 0.754,70 15.193,71 5.741,72 19.206,73 8.39,74 0.148,75 0.819,76 18.195,77 6.835,78 25.902,79 10.16,80 0.135,81 0.673,82 15.106,83 6.129,84 22.251,85 8.985,86 0.091,87 0.447,88 11.444,89 4.078,90 19.061,91 6.081,92 0.141,93 0.209,94 6.632,95 1.823,96 27.169,97 2.496,98 0.044,99 0.115,100 3.574,101 1.107,102 13.043,103 1.668,104 20,105 18,106 0.265,107 0.596,108 0.734,109 0.761,110 0.761,111 0.761,112 2.667,113 1.03,114 0.05,115 -0.1,116 -0.3,121 37.9,126 2,127 1,136 1,137 1,144 4,146 2,176 3,185 2,187 2,189 3,197 2,200 2,203 3,214 2,226 1,227 4,239 2,249 1,261 1,281 149,282 8.24,283 8.24,284 8.24,285 8.24,286 8.24,287 7.372,288 11.581,289 4.872,290 8.415,291 6.344,292 6.344,293 6.344,294 6.344,295 6.344,296 5.093,297 14.117,298 2.174,299 6.671,300 3.519,301 1.85,302 1.156,303 1.018,304 1.018,305 1.018,306 3.264,311 1,312 1,313 151,314 3,318 43.744,325 0.876,326 8.119,329 1,330 0.83,331 0.83,332 0.9,333 1,334 1,335 1,336 0.94,337 27.5,338 79,339 4.484,340 3.727,341 7.292,342 4.293,343 3.373,344 3.846,345 1.26,346 12.402,347 3.103,348 3.772,349 2.628,350 5.148,351 3.359,352 2.4,353 3.144,354 0.245,355 6.318,356 2.294,357 3.003,358 1.887,359 4.728,360 2.615,361 1.651,362 2.131,364 4.744,365 1.586,366 2.587,367 1.427,368 3.414,369 2.044,370 1.059,371 1.5,373 2.275,374 1.041,375 2.5,376 1,377 3.362,378 2,379 1,380 1.42,382 1.769,383 1,384 1.105,385 0.144,386 2.666,387 0.718,388 -0.21,389 -0.258,391 -0.445,392 -0.192,393 0.829,394 -0.31,395 2,396 0.425,397 -0.535,398 -0.702,400 -0.858,401 -0.51,402 0.5,403 -0.6,404 2,406 -1,407 -1,409 -3,410 -0.9,412 -0.905,413 2,414 -0.1,415 -1,416 -1.439,418 -3,419 -1,420 -0.045,421 -1,422 1.65,423 -0.346,424 -1.247,425 -1.5,427 -3.065,428 -1.125,429 -0.496,430 -1.244,431 0.871,432 -0.681,433 -1.625,434 -1.892,435 -0.4,436 -4.725,437 -1.54,438 -0.5,439 -1.613,440 0.586,441 -0.928,442 -1.867,443 -2.249,444 -0.4,445 -5.275,446 -1.757,447 -0.739,448 -2,449 0.284,450 -1,451 -2,452 -3,453 -0.705,454 -7.141,455 -2,474 6.233,475 0.479,476 0.44,477 0.034,478 15.25,479 1.173,480 7.5,481 0.577,482 7.75,483 0.596,484 8.182,485 0.629,486 15.067,487 0.52,488 10.003,489 0.769,490 3.376,491 0.26,492 2.684,493 0.206,494 0.294,495 0.064,496 0.16,501 1.096,502 1.58,503 1.043,504 1.263,505 1.122,506 1.163,507 1.146,508 0.948,509 0.956,510 0.818,511 0.534,512 0.83,513 1.013,514 1.35,515 1.238,516 1.323,517 0.884,518 1.304,519 0.682,520 0.917,521 0.965,522 0.968,523 0.637,524 0.99,525 0.17,526 1.03,527 0.944,528 1.136,529 0.519,530 1.129,531 0.608,532 0.74,533 0.635,534 0.79,535 0.67,536 0.726,537 3.975,538 0.814,539 1.697,540 0.889,541 4.441,542 1.069,543 1.216,544 0.454,545 0.518,546 0.473,547 1.048,548 0.438,549 4,551 2.222,552 1,553 0.422,554 0.382,555 0.101,556 0.059,559 871,560 2053,561 1.814,562 55.2,564 15,567 1,572 1.485,573 1.642,574 2.612,575 -0.277,579 1,582 38.828,583 1.339,584 3.008,585 3.702,586 3.84,587 3.84,588 3.84,589 2.134,590 3.239,591 3.669,592 2.667,593 207.995,594 6.085,595 1521.37,597 1,600 140.881,601 1.738,602 3.565,603 0.308,605 0.123,606 0.059,607 0.032,608 0.048,609 0.017,610 0.03,613 0.617,614 1,615 1,616 1.662,617 47.163,618 -0.037,619 -0.315,620 0.015,621 -0.113,622 -0.184,623 -0.061,624 -0.111,625 0.254,626 0.084,627 0.185,628 0.09,629 0.17,630 -0.109,631 -0.241,632 -0.248,633 -0.26,634 -0.058,635 -0.268,636 -0.038,637 0.018,638 -0.046,639 -0.012,640 -0.013,641 -0.026,642 0.185,643 -0.134,644 -0.071,645 -0.162,646 -0.03,647 -0.149,648 0.153,649 0.044,650 0.267,651 0.081,652 0.194,653 0.176,654 -0.666,655 -0.04,656 -0.53,657 -0.062,658 -0.756,659 -0.264,660 0.101,661 0.188,662 0.415,663 0.289,664 0.443,665 0.373,666 1.359,667 3.125,668 0.462,669 6.343,670 0.985,671 1.132,672 -1.282,673 1.645,674 0.627,675 2.639,676 2.944,677 3.045,678 3.091,679 3.135,680 3.045,681 2.565,682 1.946,683 1.099,685 3.623,686 0.575,687 178.28,688 2.639,689 4.143,690 4.934,691 5.796,692 6.616,693 7.483,694 8.311,695 9.179,696 10.009,697 10.878,698 3.4,712 1,715 4,720 2,722 6,738 1,741 29,743 7,744 1,745 13,747 29,748 11,749 6,750 2,751 4,756 1,757 1,772 8,773 3,777 1,778 1,784 1,793 16,794 1,795 1,796 2,802 1,803 1,807 1,808 1,809 1,829 1,848 1,849 1,859 1,864 2,868 13,875 1,876 1,883 1,893 3.4,895 1,901 7.917,902 5.617,903 2.958,904 1.626,907 1.265,908 1.253,909 0.851,910 2.859,911 6.262,912 2.89,913 3.384,914 3.79,915 4.21,916 4.647,917 4.582,918 4.343,919 3.911,920 3.446,922 1,923 17,924 4.761,925 -0.003,926 1.845,927 0.026,929 7.756,931 9.118,932 -0.001,933 6.947,934 -0.002,936 2.256,937 29.333,938 0.008,941 176.567,942 84.803,945 42.683,948 84.803,949 219.25,951 16.793,952 17.873,953 47.381,954 42.683,955 2.757,957 176.567,959 176.567,960 84.803,961 42.683,964 176.567,965 42.683,968 2.106,969 73.221,970 9.476,972 176.567,973 42.683,974 84.803,977 176.567,978 4.862,979 64.174,981 58.45,982 176.567,983 42.683,984 84.803,986 0.578,987 0.32,988 0.149,989 0.072,990 8,991 4,992 0.103,993 3,995 1,996 2.382,997 72.077,999 6,1000 42.106,1005 9.967,1006 3.729,1007 2.408,1009 42.683,1010 7.272,1015 1.472,1017 42.683,1018 304.053,1019 17,1020 3.724,1026 1.896,1031 28.556,1032 32.822,1034 0.276,1035 0.619,1036 0.762,1037 0.791,1038 0.791,1039 0.791,1040 4.103,1041 -1,1042 5.004,1043 -0.858,1044 3.611,1045 4.06,1046 1.242,1047 5.872,1048 3.506,1049 5.329,1050 -1,1051 6.629,1052 -3,1053 3.611,1054 3.951,1055 0.931,1056 7.368,1057 3.357,1058 6.653,1059 -1.247,1060 8.39,1061 -3,1062 5.361,1063 6.168,1064 1.34,1065 10.306,1066 5.102,1067 8.019,1068 -1.625,1069 10.231,1070 -3.065,1071 6.133,1072 6.765,1073 1.381,1074 12.543,1075 5.716,1076 9.417,1077 -1.867,1078 12.121,1079 -4.725,1080 7.506,1081 8.565,1082 1.635,1083 15.172,1084 7.063,1085 10.838,1086 -2,1087 14.044,1088 -5.275,1089 8.561,1090 9.482,1091 1.783,1092 17.61,1093 7.982,1094 12.276,1096 15.988,1097 -7.141,1098 9.82,1099 11.087,1100 2.002,1101 20.161,1102 9.189,1103 3.373,1105 17.945,1107 10.976,1108 12.174,1109 2.192,1110 22.656,1111 10.232,1112 2.4,1113 12.402,1114 19.912,1116 12.201,1117 13.674,1118 2.407,1119 25.184,1120 11.389,1121 1.651,1122 6.318,1123 21.885,1124 3.846,1125 13.394,1126 14.859,1127 2.615,1128 27.695,1129 12.482,1130 1.059,1131 4.744,1132 23.863,1133 3.144,1134 14.611,1135 16.298,1136 2.833,1137 30.216,1138 13.622,1139 1,1140 2.275,1141 25.843,1142 2.131,1143 15.817,1144 17.544,1145 3.05,1146 32.732,1147 14.737,1148 -0.21,1149 1.769,1150 27.826,1151 1.5,1152 17.032,1153 18.947,1154 3.272,1155 35.251,1156 15.871,1157 -0.535,1158 -0.445,1159 29.809,1160 1.42,1161 18.244,1162 20.23,1163 3.495,1164 37.768,1165 16.995,1166 1008,1167 1587,1168 7.742,1169 18.171,1170 19.616,1171 18.923,1172 20.195,1173 19.084,1174 18.967,1175 24.08,1176 3.01,1177 55.015,1178 18.048,1179 5.223,1180 5.727,1181 7.009,1182 5.293,1183 5.373,1184 6.846,1185 1.965,1186 19.543,1187 5.103,1188 7.657,1189 1.509,1190 1.456,1191 1.553,1192 1.468,1193 1.459,1194 1.852,1195 0.232,1196 4.232,1197 1.388,1198 3.988,1199 4.036,1200 3.918,1201 3.871,1202 6.471,1203 3.877,1204 3.659,1205 3.713,1206 3.542,1207 3.51,1208 4.75,1209 3.507,1210 3.341,1211 3.421,1212 3.164,1213 3.162,1214 4.608,1215 3.153,1216 2.874,1217 3.009,1218 2.692,1219 2.735,1220 4.128,1221 2.715,1222 2.854,1223 2.925,1224 2.687,1225 2.618,1226 3.674,1227 2.623,1228 2.835,1229 2.874,1230 2.499,1231 2.616,1232 3.467,1233 2.57,1234 2.591,1235 2.719,1236 2.238,1237 2.338,1238 3.23,1239 2.296,1240 2.13,1241 2.222,1242 1.844,1243 1.578,1244 3.123,1245 1.636,1246 0.345,1247 0.287,1248 0.561,1249 0.33,1250 0.259,1251 4.484,1252 0.296,1253 3.727,1254 0.097,1255 7.292,1256 0.954,1257 4.293,1258 0.239,1259 3.373,1260 3.846,1261 1.26,1262 12.402,1263 3.103,1264 1.937,1265 1.9,1266 2.069,1267 2.094,1268 1.27,1269 2.091,1270 1.643,1271 1.585,1272 1.848,1273 1.814,1274 0.928,1275 1.826,1276 1.349,1277 1.268,1278 1.657,1279 1.562,1280 0.638,1281 1.6,1282 0.934,1283 0.821,1284 1.417,1285 1.239,1286 0.469,1287 1.308,1288 0.886,1289 0.804,1290 1.181,1291 1.064,1292 0.218,1293 1.107,1294 0.765,1295 0.72,1296 1.141,1297 1.062,1298 0.125,1299 1.064,1300 0.634,1301 0.514,1302 0.977,1303 0.948,1304 0.009,1305 0.987,1308 0.546,1309 0.51,1311 0.533,1312 3.296,1314 4.595,1316 6.103,1318 7.698,1320 9.333,1322 4.21,1327 9.125,1328 0.88,1335 0.754,1340 16.687,1341 38.828,1342 87.23,1343 107.372,1344 111.372,1345 111.372,1346 111.372,1347 19.25,1348 4.997,1349 20.23,1350 20.23,1351 6,1352 11.43,1353 3,1354 2.322,1355 24.788,1356 27,1357 28,1358 0.486,1359 109.437,1360 186.15,1361 258.787,1362 573,1364 9.897,1365 0.761,1366 0.634,1367 9.897,1368 8.248,1369 6.06,1370 0.466,1371 0.343,1372 4.396,1373 5.851,1374 4.191,1375 3.598,1376 6.06,1377 4.465,1378 5.695,1379 0.316,1380 0.218,1381 5.695,1382 3.924,1383 4.015,1384 0.201,1385 0.115,1386 4.015,1387 2.303,1388 2.89,1389 0.138,1390 0.066,1391 2.89,1392 1.391,1393 1.82,1394 0.083,1395 0.031,1396 1.82,1397 0.672,1398 0.71,1399 37.757,1400 0.359,1401 13.085,1402 1.467,1403 62,1404 138.483,1405 66.546,1406 139.701,1407 186.03,1408 128,1409 69,1410 135.284,1411 74.325,1412 141.005,1413 197.06,1414 130,1415 5}
{0 CHEMBL582883,1 1.792,2 6.368,3 4.473,4 20.003,5 78.995,6 8.952,7 0.3,8 3.665,9 3.755,10 3.571,11 3.31,12 4.604,13 3.217,14 4.279,15 4.44,16 3.941,17 3.733,18 5.506,19 3.62,20 4.603,21 4.799,22 4.201,23 3.979,24 5.612,25 3.813,26 4.731,27 4.909,28 4.213,29 3.965,30 6.027,31 3.818,32 4.715,33 4.922,34 3.961,35 3.78,36 6.047,37 3.655,38 4.408,39 4.656,40 3.551,41 3.642,42 5.345,43 3.449,44 4.239,45 4.464,46 3.318,47 3.501,48 5.17,49 3.236,50 3.869,51 4.146,52 2.265,53 2.899,54 4.694,55 2.527,56 0.077,57 0.503,58 8.538,59 3.912,60 14.461,61 4.615,62 0.315,63 0.841,64 15.866,65 6.882,66 47.336,67 8.445,68 0.359,69 1.108,70 35.668,71 10.791,72 45.957,73 11.911,74 0.672,75 1.144,76 48.636,77 13.004,78 101.01,79 13.05,80 0.938,81 0.995,82 39.138,83 10.434,84 150.011,85 11.367,86 0.339,87 0.759,88 25.119,89 8.286,90 52.524,91 10.682,92 0.317,93 0.563,94 31.51,95 7.792,96 37.858,97 9.803,98 0.302,99 0.342,100 27.456,101 5.544,102 34.533,103 6.89,104 37,105 30,106 0.332,107 0.559,108 0.702,109 0.766,110 0.776,111 0.776,112 3.012,113 1.278,114 -4.47,115 -4.4,116 -4.14,121 36.1,122 2,123 3,129 2,144 3,146 3,176 3,179 3,180 4,187 7,192 4,200 6,206 14,214 3,219 8,227 5,239 9,251 10,264 2,281 409,282 11.963,283 11.963,284 11.963,285 11.963,286 11.963,287 10.894,288 14.623,289 6.757,290 12.422,291 9.801,292 9.801,293 9.801,294 9.801,295 9.801,296 8.144,297 21.832,298 3.141,299 10.677,300 3.378,301 2.155,302 1.383,303 1.042,304 0.986,305 0.986,306 3.652,308 2,311 1,312 1,313 246,314 3,318 123.789,325 0.981,326 30.459,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 41.167,338 121,339 4.987,340 4.762,341 7.822,342 4.527,343 3.605,344 4.808,345 0.4,346 14.392,347 3.305,348 4.042,349 3.131,350 6.367,351 3.705,352 2.777,353 3.593,355 9.189,356 2.544,357 3.625,358 2.868,359 5.443,360 3.271,361 2.344,362 2.753,364 6.698,365 2.134,366 3.354,367 2.667,368 4.904,369 2.861,370 1.992,371 2.588,373 5.513,374 1.844,375 2.879,376 1.96,377 4.841,378 2.833,379 1.879,380 1.879,382 5.104,383 1.557,384 2.663,385 1.523,386 4.275,387 2.291,388 1.32,389 1.716,391 3.361,392 1.265,393 2.283,394 1.134,395 3.762,396 2.072,397 1.079,398 1.257,400 2.7,401 1.069,402 1.371,403 0.868,404 3.094,405 0.91,406 0.11,407 0.13,409 0.243,410 0.067,411 1,412 0.227,413 2.675,414 0.795,415 -0.119,416 -0.129,418 -0.309,419 -0.112,420 1,421 -0.099,422 2.367,423 0.648,424 -0.347,425 -0.347,427 -0.757,428 -0.345,429 0.675,430 -0.306,431 2.352,432 0.169,433 -0.752,434 -0.961,436 -2.092,437 -0.475,438 0.653,439 -0.322,440 2,442 -1,443 -1.245,445 -2.655,446 -0.771,447 0.196,448 -1,449 2,450 -0.242,451 -1,452 -1.27,454 -3,455 -1,456 -0.223,457 -1.101,458 2,459 -0.369,460 -1.242,461 -1.532,463 -3.138,464 -1.216,465 -0.245,466 -1.242,467 1.353,468 -0.572,469 -1.532,470 -1.929,472 -3.788,473 -1.242,474 9.829,475 0.517,476 0.75,477 0.039,478 20.5,479 1.079,480 9,481 0.474,482 11.5,483 0.605,484 19.708,485 1.037,486 21.971,487 0.61,488 13.363,489 0.703,490 3.293,491 0.173,492 5.543,493 0.292,494 0.315,495 0.085,496 0.295,501 0.419,502 1.473,503 0.64,504 1.178,505 0.615,506 0.982,507 0.516,508 1.168,509 0.591,510 0.795,511 0.463,512 0.857,513 0.924,514 1.047,515 0.912,516 0.974,517 0.759,518 0.881,519 1.188,520 1.223,521 1.148,522 1.371,523 1.342,524 1.041,525 1.554,526 0.811,527 0.73,528 0.751,529 2.069,530 0.879,531 0.817,532 0.808,533 0.724,534 0.671,535 0.819,536 0.895,537 1.009,538 1.003,539 1.657,540 1.243,541 0.56,542 1.395,543 1.181,544 0.81,545 1.952,546 1.336,547 0.668,548 1.43,549 5.5,551 3.556,552 2.875,553 1.502,554 0.708,555 0.308,556 0.155,557 0.02,559 2500,560 8371,561 1.894,562 47.2,563 2,564 5,569 10,572 1.613,573 1.689,574 2.685,575 -0.672,577 1,582 64.525,583 1.792,584 3.015,585 3.787,586 4.128,587 4.184,588 4.184,589 2.121,590 3.156,591 4.225,592 2.788,593 476.726,594 7.242,595 4577.1,597 1,599 1,600 186.117,601 1.799,602 4.109,603 0.275,605 0.119,606 0.087,607 0.046,608 0.03,609 0.017,610 0.014,611 0.01,613 0.597,614 0.67,615 1,616 0.749,617 79.435,618 0.124,619 -0.202,620 0.121,621 -0.108,622 -0.115,623 0.001,624 0.249,625 -0.021,626 0.123,627 0.116,628 0.277,629 0.073,630 -0.075,631 0.086,632 0.071,633 0.106,634 0.008,635 0.091,636 0.019,637 -0.162,638 -0.063,639 -0.2,640 0.071,641 -0.068,642 -0.102,643 0.076,644 0.047,645 0.095,646 -0.202,647 0.009,648 -0.055,649 0.059,650 0.064,651 0.143,652 -0.095,653 0.082,654 -0.17,655 -0.204,656 -0.343,657 -0.311,658 -0.108,659 -0.353,660 -0.229,661 -0.112,662 -0.473,663 -0.376,664 -0.153,665 -0.371,666 4.513,667 5.764,668 0.632,669 10.288,670 1.012,671 1.124,672 3.24,673 10.5,674 0.698,675 3.045,676 3.434,677 3.689,678 3.951,679 4.025,680 3.892,681 3.807,682 3.689,683 3.555,684 3.296,685 4.104,686 0.64,687 322.28,688 3.045,689 4.615,690 5.476,691 6.395,692 7.277,693 8.2,694 9.09,695 10.014,696 10.908,697 11.833,698 2.8,701 1,715 3,720 3,722 6,740 2,741 36,743 8,744 1,745 20,747 37,748 13,749 6,750 3,751 3,756 2,757 2,758 2,763 2,767 5,770 5,772 6,773 7,777 2,780 1,782 2,790 1,793 17,794 3,796 6,797 3,802 1,808 1,809 2,829 2,859 2,862 1,864 2,865 2,868 19,872 1,876 3,880 2,881 1,892 2,893 5.6,896 2,901 11.25,902 6.902,903 4.083,904 2.342,907 1.215,908 1.199,909 0.94,910 4.457,911 7.315,912 3.258,913 3.882,914 4.321,915 4.811,916 5.163,917 5.119,918 5.279,919 5.112,920 5.033,921 4.805,922 1,923 33,924 7.316,926 3.394,927 0.026,929 7.99,931 13.535,933 11.589,936 2.49,937 47.306,938 0.001,941 200.109,942 68.042,943 1.519,944 78.297,945 44.313,947 5.807,948 62.235,949 322.719,950 1.519,951 17.65,952 7.604,953 34.236,954 44.313,955 10.071,957 200.109,958 78.297,959 200.109,960 63.753,961 44.313,962 84.105,964 82.398,965 162.024,968 26.773,969 36.981,970 84.105,972 200.109,973 45.832,974 146.339,976 5.807,977 200.109,978 16.156,979 47.598,981 122.61,982 200.109,983 45.832,984 146.339,986 0.605,987 0.362,988 0.198,989 0.097,990 15,991 8,992 0.054,993 2,995 1,996 2.848,997 142.594,999 12,1000 72.711,1004 1,1005 15.11,1006 5.605,1007 2.919,1009 45.832,1010 4.537,1015 0.692,1018 392.28,1019 25,1022 -3.597,1024 25.528,1031 36.433,1032 40.462,1034 0.347,1035 0.583,1036 0.733,1037 0.798,1038 0.809,1039 0.809,1040 4.549,1041 0.11,1042 5.557,1043 2.7,1044 4.111,1045 4.564,1046 0.278,1047 6.503,1048 3.944,1049 5.812,1050 -0.119,1051 7.222,1052 0.243,1053 4.111,1054 4.879,1056 7.945,1057 3.79,1058 7.2,1059 -0.347,1060 9.011,1061 -0.309,1062 5.889,1063 6.918,1064 0.05,1065 11.079,1066 5.557,1067 8.633,1068 -0.752,1069 10.876,1070 -0.757,1071 6.661,1072 8.019,1074 13.347,1075 6.183,1076 10.107,1077 -1,1078 12.792,1079 -2.092,1080 8.059,1081 9.708,1082 0.008,1083 16.141,1084 7.551,1085 11.611,1086 -1,1087 14.744,1088 -2.655,1089 9.143,1090 11.1,1092 18.68,1093 8.513,1094 13.138,1095 -1.242,1096 16.722,1097 -3,1098 10.44,1099 12.698,1100 0.001,1101 21.383,1102 9.752,1103 3.605,1104 -1.532,1105 18.719,1106 -3.138,1107 11.643,1108 14.196,1110 24.008,1111 10.851,1112 2.777,1113 14.392,1114 20.731,1115 -3.788,1116 12.917,1117 15.77,1119 26.685,1120 12.052,1121 2.344,1122 9.189,1123 22.753,1124 4.808,1125 14.166,1126 17.31,1128 29.337,1129 13.205,1130 1.992,1131 6.698,1132 24.784,1133 3.593,1134 15.438,1135 18.878,1137 32.007,1138 14.397,1139 1.879,1140 5.513,1141 26.82,1142 2.753,1143 16.705,1144 20.434,1146 34.669,1147 15.573,1148 1.32,1149 5.104,1150 28.861,1151 2.588,1152 17.98,1153 22.002,1155 37.337,1156 16.764,1157 1.079,1158 3.361,1159 30.905,1160 1.879,1161 19.254,1162 23.566,1164 40.001,1165 17.95,1166 2641,1167 5004,1168 12.137,1169 25.131,1170 30.407,1171 32.327,1172 33.016,1173 30.31,1174 30.212,1175 37.452,1176 0.8,1177 94.402,1178 27.568,1179 5.987,1180 6.762,1181 7.368,1182 5.585,1183 5.605,1184 7.808,1185 0.8,1186 22.98,1187 5.305,1188 11.858,1189 1.52,1190 1.616,1191 1.651,1192 1.515,1193 1.511,1194 1.873,1195 0.04,1196 4.72,1197 1.378,1198 4.11,1199 4.095,1200 4.753,1201 4.094,1202 7.715,1203 4.008,1204 3.825,1205 3.866,1206 3.982,1207 3.728,1208 6.999,1209 3.716,1210 3.541,1211 3.512,1212 3.659,1213 3.478,1214 4.99,1215 3.388,1216 3.367,1217 3.452,1218 3.609,1219 3.217,1220 4.664,1221 3.19,1222 3.139,1223 3.231,1224 3.151,1225 2.95,1226 4.338,1227 2.918,1228 2.903,1229 2.918,1230 2.901,1231 2.855,1232 3.914,1233 2.819,1234 2.679,1235 2.81,1236 2.83,1237 2.517,1238 3.903,1239 2.491,1240 2.646,1241 2.693,1242 2.535,1243 2.433,1244 3.661,1245 2.387,1246 0.249,1247 0.238,1248 0.391,1249 0.226,1250 0.18,1251 4.987,1252 0.24,1253 4.762,1254 0.02,1255 7.822,1256 0.72,1257 4.527,1258 0.165,1259 3.605,1260 4.808,1261 0.4,1262 14.392,1263 3.305,1264 1.98,1265 1.989,1266 2.069,1267 2.08,1268 1.456,1269 2.115,1270 1.822,1271 1.777,1272 1.901,1273 1.92,1274 1.139,1275 1.949,1276 1.405,1277 1.408,1278 1.733,1279 1.606,1280 0.97,1281 1.655,1282 1.377,1283 1.325,1284 1.578,1285 1.529,1286 0.794,1287 1.578,1288 1.156,1289 1.073,1290 1.209,1291 1.381,1292 0.505,1293 1.441,1294 0.85,1295 0.827,1296 1.15,1297 1.034,1298 0.398,1299 1.102,1300 0.737,1301 0.611,1302 0.978,1303 0.978,1304 0.138,1305 1.02,1306 0.595,1307 0.559,1308 0.834,1309 0.793,1310 0.062,1311 0.836,1312 3.714,1314 5.081,1316 6.658,1318 8.335,1320 10.064,1322 3.872,1323 11.924,1328 2.807,1332 -0.021,1333 1.564,1340 23.034,1341 64.525,1342 108.55,1343 136.343,1344 148.608,1345 150.608,1346 150.608,1347 51.831,1348 6.1,1349 37.38,1350 45.76,1351 12,1352 12.344,1353 3.17,1354 2.585,1355 33.241,1356 45,1357 42,1358 0.375,1359 154.485,1360 267.43,1361 368.704,1362 2624,1363 5.6,1364 14.207,1365 0.748,1366 0.698,1367 15.457,1368 13.264,1369 8.836,1370 0.442,1371 0.426,1372 6.459,1373 7.304,1374 6.049,1375 5.015,1376 10.202,1377 8.52,1378 8.735,1379 0.291,1380 0.256,1381 10.776,1382 7.694,1383 6.818,1384 0.175,1385 0.164,1386 8.86,1387 6.407,1388 5.965,1389 0.117,1390 0.104,1391 8.279,1392 5.283,1393 4.032,1394 0.073,1395 0.063,1396 5.964,1397 3.446,1398 0.545,1399 68.733,1400 0.287,1401 18.222,1402 1.179,1403 100,1404 304.383,1405 178.315,1406 372.424,1407 478.37,1408 338,1409 119,1410 273.463,1411 203.58,1412 332.398,1413 489.43,1414 311,1415 7.046}
{0 CHEMBL583776,1 1.353,2 7.571,3 3.494,4 12.208,5 86.231,6 6.568,7 0.417,8 3.853,9 3.981,10 3.334,11 3.43,12 4.804,13 3.38,14 4.451,15 4.638,16 3.771,17 3.894,18 5.308,19 3.821,20 4.724,21 4.924,22 3.883,23 4.083,24 5.575,25 3.988,26 4.859,27 5.09,28 3.823,29 4.094,30 5.727,31 3.964,32 4.861,33 5.137,34 3.563,35 3.974,36 5.66,37 3.818,38 4.712,39 4.997,40 3.358,41 3.819,42 5.414,43 3.632,44 4.48,45 4.757,46 3.02,47 3.568,48 5.214,49 3.37,50 4.321,51 4.657,52 2.553,53 3.29,54 4.918,55 3.027,56 0.05,57 0.613,58 10.223,59 4.359,60 7.932,61 6.032,62 0.143,63 1.042,64 19.045,65 7.977,66 13.891,67 11.17,68 0.166,69 1.353,70 25.334,71 9.963,72 19.25,73 14.157,74 0.281,75 1.506,76 29.409,77 10.937,78 32.714,79 15.901,80 0.337,81 1.452,82 30.189,83 9.749,84 36.97,85 14.744,86 0.188,87 1.182,88 25.477,89 9.764,90 22.88,91 14.156,92 0.196,93 0.93,94 20.369,95 7.49,96 22.26,97 10.817,98 0.135,99 0.76,100 17.291,101 6.428,102 17.029,103 9.622,104 18,105 37,106 0.237,107 0.571,108 0.781,109 0.853,110 0.853,111 0.853,112 3.106,113 0.994,114 -4.66,115 -4.58,116 -4.31,121 41.9,122 3,123 4,124 2,137 1,138 1,145 3,146 1,148 1,154 1,163 1,165 1,166 1,167 1,176 12,179 1,180 6,185 2,187 17,189 2,192 4,197 2,200 15,203 2,206 7,208 2,209 2,211 4,214 12,216 4,219 3,224 3,227 10,229 3,232 4,237 2,239 9,241 2,244 2,249 1,251 8,253 1,256 1,264 5,269 1,277 2,281 447,282 14.127,283 14.127,284 14.127,285 14.127,286 14.127,287 12.612,288 16.375,289 7.843,290 14.192,291 11.774,292 11.774,293 11.774,294 11.774,295 11.774,296 9.353,297 16.613,298 3.666,299 11.896,300 4.074,301 2.174,302 0.971,303 0.564,304 0.564,305 0.564,306 3.8,310 1,311 1,312 1,313 352,314 2.449,317 31.522,318 98.327,320 45.672,321 51.887,322 52.623,324 67.013,325 1.17,326 14.959,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 44,338 159,339 4.769,340 3.532,341 7.057,342 4.357,343 3.37,344 4.733,345 0.68,346 12.083,347 3.327,348 4.257,349 3.201,350 6.532,351 3.983,352 2.985,353 3.738,355 10.209,356 2.978,357 3.867,358 2.851,359 5.659,360 3.515,361 2.52,362 3.161,364 7.725,365 2.507,366 3.51,367 2.506,368 5.41,369 3.198,370 2.219,371 2.885,373 6.88,374 2.175,375 3.375,376 2.254,377 5.38,378 3.025,379 2.036,380 2.646,382 6.312,383 2.01,384 3.033,385 2.098,386 5.013,387 2.866,388 1.883,389 2.068,391 5.743,392 1.846,393 2.904,394 1.831,395 4.859,396 2.669,397 1.681,398 1.946,400 5.186,401 1.66,402 2.472,403 1.474,404 4.302,405 2.163,406 1.176,407 1.462,409 3.326,410 1.16,411 1.58,412 0.661,413 3.357,414 1.436,415 0.436,416 0.461,418 0.641,419 0.436,420 1.357,421 0.531,422 3.029,423 1.175,424 0.182,425 0.204,427 0.541,428 0.181,429 1.238,430 0.145,431 2.82,432 0.897,433 -0.053,434 -0.065,436 -0.152,437 -0.05,438 0.923,439 0.033,440 2.672,441 0.721,442 -0.265,443 -0.302,445 -0.652,446 -0.261,447 0.608,448 -0.465,449 2.449,450 0.384,451 -0.606,452 -0.662,454 -1.598,455 -0.599,456 0.326,457 -0.565,458 2.343,459 0.177,460 -0.814,461 -0.926,463 -2.21,464 -0.805,465 0.236,466 -0.686,467 2,468 0.02,469 -0.969,470 -1.095,472 -2.763,473 -0.956,474 10.133,475 0.483,476 0.678,477 0.032,478 22.75,479 1.083,480 9.5,481 0.452,482 13.25,483 0.631,484 22.255,485 1.06,486 22.867,487 0.532,488 13.103,489 0.624,490 3.758,491 0.179,492 6.321,493 0.301,494 0.188,496 0.493,501 0.927,502 1.126,503 0.906,504 1.047,505 1.125,506 0.981,507 0.651,508 1.024,509 0.745,510 0.957,511 0.52,512 0.877,513 1.058,514 1.202,515 0.988,516 1.095,517 0.931,518 1.047,519 0.952,520 1.274,521 1.085,522 1.191,523 0.962,524 1.159,525 1.535,526 0.881,527 1.212,528 0.896,529 1.737,530 0.986,531 0.868,532 0.982,533 0.967,534 1.023,535 0.928,536 1.009,537 1.341,538 0.993,539 1.189,540 1.057,541 1.192,542 1.107,543 0.596,544 0.789,545 0.923,546 0.895,547 0.819,548 0.925,549 5,551 2.222,552 2.792,553 1.489,554 1.042,555 0.405,556 0.284,557 0.153,558 0.045,559 3885,560 7213,561 2.126,562 51.2,563 14,564 1,567 2,568 5,572 1.638,573 1.938,574 2.904,575 0.237,577 1,579 1,582 58.163,583 1.353,584 3.253,585 4.455,586 4.862,587 4.862,588 4.862,589 2.416,590 4.297,591 4.365,592 2.976,593 625.048,594 7.51,595 6173.21,597 1,599 1,600 233.329,601 1.494,602 4.303,603 0.208,605 0.06,606 0.07,607 0.043,608 0.04,609 0.019,610 0.02,611 0.019,612 0.011,613 0.491,614 0.83,615 1,616 0.874,617 91.185,618 -0.025,619 0.062,620 0.066,621 0.06,622 -0.108,623 0.073,624 0.219,625 0.049,626 0.223,627 0.111,628 0.228,629 0.159,630 -0.036,631 -0.138,632 -0.009,633 -0.064,634 -0.012,635 -0.041,636 0.088,637 -0.239,638 -0.102,639 -0.205,640 0.132,641 -0.182,642 -0.264,643 0.155,644 -0.199,645 0.012,646 -0.312,647 -0.066,648 0.001,649 -0.062,650 -0.003,651 -0.052,652 -0.012,653 -0.031,654 -0.179,655 -0.061,656 -0.203,657 -0.101,658 -0.148,659 -0.148,660 0.007,661 0.085,662 0.024,663 0.034,664 -0.018,665 0.036,666 0.944,667 2.557,668 0.762,669 12.231,670 0.985,671 1.125,672 3.435,673 11.797,674 0.653,675 3.219,676 3.638,677 4.007,678 4.382,679 4.663,680 4.875,681 5.075,682 5.278,683 5.333,684 5.38,685 4.429,686 0.605,687 282.42,688 3.219,689 4.812,690 5.72,691 6.658,692 7.581,693 8.525,694 9.453,695 10.399,696 11.329,697 12.276,698 4.7,702 1,708 1,714 2,716 1,718 1,720 5,722 10,733 1,741 43,743 11,745 24,747 46,748 18,749 7,756 4,757 10,763 3,767 3,768 2,770 4,772 9,773 9,774 2,777 1,784 1,786 1,789 1,790 1,792 1,793 22,794 3,795 2,796 3,802 2,808 0.25,809 1,822 1,828 1,829 3,831 1,832 1,833 1,835 1,849 1,850 1,859 1,864 3,868 21,869 1,876 4,880 2,893 2.3,898 1,901 10.833,902 8.7,903 4.444,904 2.961,907 2.477,908 1.328,909 1.017,910 2.852,911 10.037,912 3.434,913 4.131,914 4.795,915 5.458,916 6.006,917 6.462,918 6.918,919 7.366,920 7.569,921 7.785,922 1,923 40,924 7.817,926 3.439,927 0.026,929 7.429,931 15.635,933 13.939,936 1.929,937 40.5,938 0.002,940 1,941 235.422,942 73.589,943 49.683,945 9.507,948 73.589,949 244.929,950 49.683,951 26.476,952 10.138,953 42.373,954 21.193,955 27.151,956 5.449,957 235.422,959 235.422,960 123.272,961 9.507,964 235.422,965 9.507,968 43.778,969 53.232,970 26.262,972 235.422,973 59.19,974 73.589,977 235.422,978 37.638,979 35.952,981 59.19,982 235.422,983 59.19,984 73.589,986 0.604,987 0.376,988 0.214,989 0.118,990 22,991 10,992 0.022,993 1,994 4,995 1.438,996 3.184,997 183.218,998 0.5,999 15,1000 92.239,1005 13.237,1006 4.525,1007 1.842,1008 1.762,1009 59.19,1011 4.816,1013 5.803,1015 5.47,1017 32.897,1018 368.201,1019 30,1026 2.472,1028 1.585,1031 42.367,1032 48.358,1034 0.249,1035 0.599,1036 0.821,1037 0.896,1038 0.896,1039 0.896,1040 4.741,1041 1.176,1042 5.759,1043 5.186,1044 4.317,1045 4.816,1046 0.655,1047 6.676,1048 4.296,1049 5.993,1050 0.436,1051 7.385,1052 3.326,1053 4.111,1054 4.89,1056 7.727,1057 4.081,1058 7.352,1059 0.182,1060 9.104,1061 0.641,1062 6.019,1063 7.134,1064 0.356,1065 10.899,1066 5.979,1067 8.744,1068 -0.053,1069 10.877,1070 0.541,1071 6.581,1072 8.019,1074 12.761,1075 6.533,1076 10.167,1077 -0.265,1078 12.683,1079 -0.152,1080 8.017,1081 9.805,1082 0.18,1083 15.474,1084 7.96,1085 11.614,1086 -0.606,1087 14.515,1088 -0.652,1089 8.933,1090 11.062,1092 17.693,1093 8.865,1094 13.079,1095 -0.814,1096 16.366,1097 -1.598,1098 10.201,1099 12.687,1100 0.087,1101 20.248,1102 10.123,1103 3.37,1104 -0.969,1105 18.233,1106 -2.21,1107 11.275,1108 14.11,1110 22.619,1111 11.185,1112 2.985,1113 12.083,1114 20.113,1115 -2.763,1116 12.488,1117 15.681,1118 0.041,1119 25.12,1120 12.386,1121 2.52,1122 10.209,1123 22.004,1124 4.733,1125 13.631,1126 17.176,1128 27.554,1129 13.517,1130 2.219,1131 7.725,1132 23.903,1133 3.738,1134 14.828,1135 18.73,1136 0.019,1137 30.038,1138 14.701,1139 2.036,1140 6.88,1141 25.811,1142 3.161,1143 16.002,1144 20.257,1146 32.499,1147 15.862,1148 1.883,1149 6.312,1150 27.725,1151 2.885,1152 17.197,1153 21.807,1154 0.009,1155 34.98,1156 17.044,1157 1.681,1158 5.743,1159 29.644,1160 2.646,1161 18.386,1162 23.348,1164 37.454,1165 18.219,1166 3737,1167 5207,1168 15.838,1169 28.08,1170 37.247,1171 37.577,1172 39.638,1173 37.023,1174 36.976,1175 46.607,1176 1.36,1177 117.294,1178 36.56,1179 5.723,1180 5.532,1181 6.59,1182 5.404,1183 5.37,1184 7.733,1185 1.36,1186 19.762,1187 5.327,1188 10.861,1189 1.552,1190 1.566,1191 1.652,1192 1.543,1193 1.541,1194 1.942,1195 0.057,1196 4.887,1197 1.523,1198 4.158,1199 4.177,1200 4.127,1201 4.061,1202 5.233,1203 4.072,1204 3.898,1205 3.927,1206 3.817,1207 3.805,1208 4.931,1209 3.805,1210 3.542,1211 3.601,1212 3.424,1213 3.428,1214 4.522,1215 3.419,1216 3.316,1217 3.394,1218 3.152,1219 3.164,1220 4.278,1221 3.151,1222 3.216,1223 3.294,1224 3.062,1225 3.058,1226 3.946,1227 3.044,1228 3.09,1229 3.192,1230 2.853,1231 2.878,1232 3.865,1233 2.852,1234 2.956,1235 3.057,1236 2.741,1237 2.771,1238 3.638,1239 2.753,1240 2.905,1241 3.005,1242 2.693,1243 2.612,1244 3.572,1245 2.623,1246 0.199,1247 0.147,1248 0.294,1249 0.182,1250 0.14,1251 4.769,1252 0.197,1253 3.532,1254 0.028,1255 7.057,1256 0.503,1257 4.357,1258 0.139,1259 3.37,1260 4.733,1261 0.68,1262 12.083,1263 3.327,1264 2.047,1265 2.019,1266 2.167,1267 2.143,1268 1.536,1269 2.151,1270 1.772,1271 1.741,1272 1.908,1273 1.88,1274 1.113,1275 1.89,1276 1.584,1277 1.547,1278 1.816,1279 1.782,1280 1.022,1281 1.783,1282 1.44,1283 1.382,1284 1.679,1285 1.649,1286 0.847,1287 1.674,1288 1.218,1289 1.147,1290 1.522,1291 1.419,1292 0.775,1293 1.453,1294 1.127,1295 1.041,1296 1.502,1297 1.385,1298 0.586,1299 1.433,1300 0.958,1301 0.877,1302 1.287,1303 1.234,1304 0.501,1305 1.234,1306 0.838,1307 0.729,1308 1.174,1309 1.159,1310 0.329,1311 1.2,1312 3.892,1314 5.283,1315 2.398,1316 6.88,1317 4.844,1318 8.579,1319 7.018,1320 10.333,1322 6.322,1326 6.557,1328 4.535,1332 1.179,1340 26.026,1341 58.163,1342 139.864,1343 191.555,1344 209.065,1345 209.065,1346 209.065,1347 28.091,1348 7.561,1349 52.05,1350 52.05,1351 23,1352 12.77,1353 3.585,1354 2.807,1355 27.831,1356 57,1357 61,1358 0.259,1359 156.807,1360 266.31,1361 374.369,1362 17150,1364 14.723,1365 0.701,1366 0.619,1367 14.723,1368 12.993,1369 10.08,1370 0.42,1371 0.331,1372 7.903,1373 9.863,1374 7.586,1375 6.288,1376 10.08,1377 7.956,1378 9.685,1379 0.262,1380 0.179,1381 9.685,1382 6.629,1383 8.784,1384 0.163,1385 0.099,1386 8.784,1387 5.359,1388 8.004,1389 0.101,1390 0.053,1391 8.004,1392 4.196,1393 6.481,1394 0.062,1395 0.03,1396 6.481,1397 3.151,1398 0.382,1399 61.992,1400 0.251,1401 19.908,1402 0.792,1403 122,1404 260.693,1405 129.399,1406 257.914,1407 373.64,1408 244,1409 152,1410 297.935,1411 159.816,1412 302.912,1413 453.93,1414 287,1415 5.19}
{0 CHEMBL583855,1 1.605,2 9.967,3 6.235,4 38.879,5 121.219,6 8.211,7 0.515,8 4.082,9 4.202,10 3.737,11 3.672,12 5.134,13 3.632,14 4.631,15 4.807,16 4.132,17 4.07,18 5.654,19 4.007,20 4.912,21 5.138,22 4.245,23 4.204,24 5.919,25 4.116,26 4.914,27 5.135,28 4.253,29 4.19,30 5.955,31 4.119,32 4.898,33 5.088,34 4.275,35 4.238,36 6.016,37 4.18,38 4.949,39 5.123,40 4.344,41 4.32,42 6.1,43 4.247,44 5.074,45 5.276,46 4.398,47 4.356,48 6.21,49 4.243,50 5.051,51 5.293,52 4.1,53 4.256,54 5.985,55 4.088,56 0.041,57 0.783,58 9.847,59 4.752,60 5.681,61 6.311,62 0.168,63 1.286,64 20.529,65 8.211,66 18.77,67 11.151,68 0.419,69 1.576,70 34.868,71 11.042,72 43.299,73 15.033,74 0.498,75 1.588,76 35.665,77 10.551,78 39.974,79 14.319,80 0.399,81 1.576,82 30.112,83 10.367,84 47.331,85 13.452,86 0.305,87 1.645,88 29.866,89 11.278,90 52.807,91 14.412,92 0.541,93 1.733,94 43.032,95 13.433,96 78.243,97 17.412,98 0.491,99 1.617,100 47.383,101 14.18,102 59.772,103 18.833,104 18,105 46,106 0.265,107 0.591,108 0.739,109 0.823,110 0.838,111 0.838,112 3.441,113 1.002,114 -6.31,115 -6.15,116 -5.71,121 42.6,122 1,123 4,127 2,144 8,145 1,146 3,148 1,154 1,160 1,163 1,172 1,176 9,179 1,180 7,183 1,187 11,191 2,192 7,195 1,197 2,200 8,205 2,206 10,209 1,211 2,214 6,218 1,219 10,224 2,227 10,232 8,237 3,239 14,244 12,249 5,251 16,256 7,261 1,264 10,269 2,274 1,277 11,281 1490,282 20.491,283 20.491,284 20.491,285 20.491,286 20.491,287 18.323,288 21.395,289 12.145,290 20.957,291 16.231,292 16.231,293 16.231,294 16.231,295 16.231,296 12.9,297 20.522,298 5.687,299 17.124,300 4.15,301 2.173,302 1.278,303 0.769,304 0.681,305 0.681,306 4.136,308 2,312 1,313 644,314 3.082,317 84.825,318 304.976,325 1.44,326 25.822,329 0.75,330 0.83,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.78,337 63.667,338 299,339 4.71,340 3.653,341 7.08,342 4.302,343 3.355,344 4.467,345 0.98,346 12.264,347 3.174,348 4.172,349 3.331,350 6.351,351 3.788,352 2.824,353 3.769,354 0.4,355 9.528,356 2.714,357 4.031,358 3.05,359 6.035,360 3.636,361 2.681,362 3.585,364 8.521,365 2.542,366 3.72,367 2.892,368 5.409,369 3.425,370 2.481,371 3.051,373 7.082,374 2.34,375 3.455,376 2.666,377 5.169,378 3.165,379 2.247,380 2.576,382 6.228,383 2.032,384 3.229,385 2.325,386 4.991,387 2.783,388 1.851,389 2.453,391 5.383,392 1.717,393 3.103,394 2.125,395 4.85,396 2.763,397 1.797,398 2.219,400 5.123,401 1.662,402 2.86,403 1.596,404 4.09,405 2.417,406 1.431,407 2.014,409 3.245,410 1.405,411 2.57,412 1.492,413 3.964,414 2.351,415 1.414,416 1.594,418 3.126,419 1.254,420 2.509,421 1.383,422 3.596,423 2.089,424 1.112,425 1.506,427 2.781,428 1.08,429 2.5,430 1.149,431 3.548,432 2,433 1,434 1.5,436 2.587,437 1,438 2.351,439 1.077,440 3.414,441 1.984,442 1,443 1.258,445 2.275,446 0.983,447 2,448 1,449 3.247,450 1.885,451 0.929,452 1,454 2.136,455 0.871,456 1.631,457 0.678,458 3.132,459 1.427,460 0.462,461 0.524,463 0.812,464 0.438,465 1.148,466 0.458,467 2.653,468 0.811,469 -0.128,470 -0.153,472 -0.253,473 -0.093,474 14.862,475 0.495,476 0.678,477 0.023,478 36.75,479 1.225,480 17.5,481 0.583,482 19.25,483 0.642,484 29.697,485 0.99,486 31.938,487 0.591,488 28.02,489 0.934,490 6.853,491 0.228,492 7.726,493 0.258,494 0.152,496 0.323,501 0.623,502 1.279,503 0.585,504 0.935,505 0.533,506 0.903,507 0.705,508 1.274,509 0.648,510 0.929,511 0.507,512 0.924,513 0.957,514 1.025,515 0.833,516 0.823,517 0.747,518 0.828,519 1.04,520 0.952,521 0.874,522 0.862,523 0.957,524 0.837,525 1.351,526 0.98,527 0.755,528 0.814,529 1.728,530 0.847,531 1.403,532 1.151,533 0.822,534 0.942,535 1.779,536 0.998,537 1.272,538 1.13,539 1.099,540 1.108,541 1.378,542 1.109,543 1.198,544 0.983,545 1.239,546 1.105,547 1.171,548 1.122,549 5,550 0.095,551 3.333,552 2.479,553 2.271,554 1.431,555 0.886,556 0.617,557 0.449,558 0.114,559 10522,560 28754,561 2.087,562 44.4,563 5,564 12,567 1,568 2,569 4,572 1.738,573 1.957,574 3.25,575 -0.349,582 86.683,583 1.605,584 3.582,585 4.477,586 4.986,587 5.074,588 5.074,589 2.719,590 4.574,591 4.874,592 3.416,593 1485.9,594 8.562,595 19991.5,600 310.764,601 1.4,602 4.839,603 0.152,604 0.005,605 0.072,606 0.051,607 0.045,608 0.027,609 0.016,610 0.013,611 0.012,612 0.004,613 0.397,614 0.33,615 0.88,616 0.715,617 150.735,618 0.031,619 -0.089,620 0.023,621 -0.027,622 -0.013,623 0.001,624 0.074,625 -0.145,626 0.059,627 -0.022,628 0.098,629 -0.006,630 0.039,631 0.031,632 0.062,633 0.107,634 0.101,635 0.112,636 0.051,637 0.13,638 0.02,639 0.051,640 0.025,641 0.082,642 -0.144,643 0.106,644 -0.01,645 0.087,646 -0.172,647 0.052,648 -0.216,649 -0.075,650 -0.063,651 -0.025,652 -0.186,653 -0.092,654 -0.052,655 -0.12,656 -0.075,657 -0.139,658 0.005,659 -0.162,660 -0.143,661 -0.043,662 -0.143,663 -0.101,664 -0.126,665 -0.125,666 1.852,667 6.177,668 0.767,669 28.044,670 1.002,671 1.123,672 5.081,673 25.816,674 0.696,675 3.526,676 3.85,677 4.159,678 4.466,679 4.727,680 4.836,681 4.99,682 5.106,683 5.17,684 5.165,685 6.038,686 0.653,687 443.41,688 3.526,689 5.069,690 5.932,691 6.823,692 7.713,693 8.617,694 9.52,695 10.432,696 11.343,697 12.26,698 7.4,701 1,705 1,706 1,708 1,715 8,716 1,720 7,721 1,722 17,740 2,741 54,743 18,744 2,745 33,747 57,748 23,749 15,750 4,751 8,752 1,756 4,757 4,758 2,763 1,767 3,770 4,772 16,773 7,777 1,782 1,786 1,793 24,794 4,795 1,796 7,797 2,799 1,802 4,806 1,808 1,809 1,828 1,829 3,859 4,864 1,865 2,868 30,876 6,877 1,881 1,892 2,893 1.9,896 1,901 15.333,902 9.969,903 6.694,904 3.606,907 2.755,908 1.367,909 0.997,910 6.665,911 10.253,912 3.773,913 4.36,914 4.965,915 5.577,916 6.119,917 6.484,918 6.913,919 7.311,920 7.661,921 7.895,922 0.857,923 49,924 11.117,926 4.733,927 0.026,929 7.669,931 21.448,933 17.749,936 2.169,937 65.056,941 270.735,942 124.474,943 39.575,944 78.297,945 25.145,948 124.474,949 374.178,950 39.575,951 8.825,952 32.238,953 75.81,954 48.963,955 20.601,956 2.757,957 270.735,958 78.297,959 270.735,960 164.049,961 25.145,962 78.297,964 223.651,965 72.229,968 51.049,969 96.215,970 95.083,972 270.735,973 64.72,974 202.772,977 270.735,978 39.839,979 89.536,980 17.888,981 120.228,982 270.735,983 64.72,984 202.772,986 0.576,987 0.346,988 0.197,989 0.114,990 22,991 10,992 0.088,993 5,995 1,996 3.984,997 279.882,999 23,1000 137.207,1005 21.228,1006 9.419,1007 4.537,1009 62.82,1010 15.069,1011 4.783,1015 4.803,1016 2.003,1017 17.888,1018 538.227,1019 42.5,1024 13.177,1028 -0.185,1031 54.102,1032 60.658,1034 0.279,1035 0.622,1036 0.778,1037 0.866,1038 0.882,1039 0.882,1040 5.012,1041 1.431,1042 5.916,1043 5.123,1044 4.533,1045 5.047,1046 1.176,1047 6.758,1048 4.427,1049 6.211,1050 1.414,1051 7.491,1052 3.245,1053 4.111,1054 4.844,1056 7.745,1057 3.883,1058 7.52,1059 1.112,1060 9.171,1061 3.126,1062 6.142,1063 7.232,1064 1.063,1065 10.906,1066 5.937,1067 8.869,1068 1,1069 10.917,1070 2.781,1071 6.581,1072 7.902,1074 12.786,1075 6.267,1076 10.256,1077 1,1078 12.707,1079 2.587,1080 8.071,1081 9.753,1082 1.022,1083 15.482,1084 7.763,1085 11.67,1086 0.929,1087 14.527,1088 2.275,1089 8.91,1090 10.833,1092 17.727,1093 8.511,1094 13.106,1095 0.462,1096 16.372,1097 2.136,1098 10.195,1099 12.466,1100 0.993,1101 20.28,1102 9.777,1103 3.355,1104 -0.128,1105 18.234,1106 0.812,1107 11.223,1108 13.747,1110 22.676,1111 10.729,1112 2.824,1113 12.264,1114 20.111,1115 -0.253,1116 12.435,1117 15.288,1118 0.967,1119 25.187,1120 11.905,1121 2.681,1122 9.528,1123 22,1124 4.467,1125 13.552,1126 16.67,1128 27.645,1129 12.955,1130 2.481,1131 8.521,1132 23.899,1133 3.769,1134 14.743,1135 18.174,1136 0.942,1137 30.146,1138 14.1,1139 2.247,1140 7.082,1141 25.806,1142 3.585,1143 15.902,1144 19.607,1146 32.629,1147 15.198,1148 1.851,1149 6.228,1150 27.719,1151 3.051,1152 17.092,1153 21.098,1154 0.917,1155 35.13,1156 16.335,1157 1.797,1158 5.383,1159 29.638,1160 2.576,1161 18.273,1162 22.558,1164 37.625,1165 17.457,1166 10114,1167 16920,1168 22.076,1169 37.568,1170 49.623,1171 50.846,1172 51.692,1173 49.557,1174 49.167,1175 63.032,1176 2.76,1177 142.18,1178 46.423,1179 5.71,1180 5.653,1181 6.882,1182 5.345,1183 5.355,1184 7.467,1185 1.96,1186 19.862,1187 5.174,1188 13.959,1189 1.504,1190 1.541,1191 1.566,1192 1.502,1193 1.49,1194 1.91,1195 0.084,1196 4.308,1197 1.407,1198 4.099,1199 4.137,1200 4.125,1201 3.986,1202 7.429,1203 3.999,1204 3.851,1205 3.908,1206 3.966,1207 3.807,1208 5.023,1209 3.797,1210 3.838,1211 3.874,1212 3.825,1213 3.679,1214 4.918,1215 3.679,1216 3.73,1217 3.765,1218 3.688,1219 3.624,1220 4.733,1221 3.624,1222 3.374,1223 3.45,1224 3.336,1225 3.164,1226 4.368,1227 3.158,1228 3.257,1229 3.33,1230 3.291,1231 3.017,1232 4.335,1233 3.05,1234 3.111,1235 3.206,1236 3.195,1237 2.941,1238 4.255,1239 2.91,1240 2.943,1241 3.01,1242 3.061,1243 2.805,1244 3.993,1245 2.777,1246 0.143,1247 0.111,1248 0.215,1249 0.13,1250 0.102,1251 4.71,1252 0.135,1253 3.653,1254 0.03,1255 7.08,1256 0.372,1257 4.302,1258 0.096,1259 3.355,1260 4.467,1261 0.98,1262 12.264,1263 3.174,1264 1.941,1265 1.916,1266 2.041,1267 2.039,1268 1.39,1269 2.039,1270 1.859,1271 1.837,1272 2.017,1273 2.016,1274 1.179,1275 2.024,1276 1.811,1277 1.745,1278 1.952,1279 1.929,1280 1.067,1281 1.945,1282 1.648,1283 1.605,1284 1.856,1285 1.799,1286 1.014,1287 1.818,1288 1.344,1289 1.295,1290 1.513,1291 1.606,1292 0.825,1293 1.581,1294 1.199,1295 1.138,1296 1.487,1297 1.412,1298 0.621,1299 1.429,1300 1.153,1301 1.064,1302 1.326,1303 1.376,1304 0.498,1305 1.397,1306 1.003,1307 0.907,1308 1.299,1309 1.282,1310 0.404,1311 1.293,1312 4.205,1314 5.525,1315 2.398,1316 7.05,1317 4.844,1318 8.666,1319 7.066,1320 10.331,1322 2.025,1323 12.603,1328 5.748,1329 3.042,1333 1.988,1340 35.25,1341 86.683,1342 193.406,1343 241.744,1344 269.254,1345 274.009,1346 274.009,1347 53.123,1348 7.498,1349 50.16,1350 50.16,1351 23,1352 12.772,1353 4.248,1354 3.392,1355 46.503,1356 106,1357 121,1358 0.214,1359 223.313,1360 383.77,1361 536.645,1362 15989,1363 3.7,1364 21.087,1365 0.703,1366 0.613,1367 22.087,1368 18.379,1369 14.58,1370 0.442,1371 0.334,1372 10.23,1373 13.605,1374 9.943,1375 8.232,1376 15.157,1377 11.021,1378 12.875,1379 0.28,1380 0.178,1381 13.654,1382 8.208,1383 11.048,1384 0.175,1385 0.094,1386 11.695,1387 5.92,1388 9.413,1389 0.109,1390 0.049,1391 9.889,1392 4.202,1393 7.864,1394 0.07,1395 0.027,1396 8.313,1397 2.974,1398 0.324,1399 96.335,1400 0.213,1401 27.725,1402 0.629,1403 158,1404 431.411,1405 200.578,1406 482.45,1407 649.51,1408 450,1409 188,1410 444.855,1411 222.897,1412 467.922,1413 692.47,1414 443,1415 4.5}
{0 CHEMBL583920,1 1.483,2 7.609,3 4.06,4 16.486,5 95.623,6 7.474,7 0.423,8 3.881,9 3.998,10 3.458,11 3.492,12 4.869,13 3.441,14 4.462,15 4.632,16 3.869,17 3.951,18 5.386,19 3.872,20 4.786,21 4.997,22 3.983,23 4.147,24 5.673,25 4.033,26 4.841,27 5.084,28 3.953,29 4.12,30 5.672,31 3.997,32 4.783,33 5.01,34 3.863,35 4.098,36 5.618,37 3.969,38 4.844,39 5.094,40 3.855,41 4.08,42 5.668,43 3.922,44 4.814,45 5.074,46 3.662,47 3.936,48 5.722,49 3.75,50 4.601,51 4.886,52 3.341,53 3.598,54 5.502,55 3.363,56 0.042,57 0.609,58 9.359,59 4.268,60 7.019,61 5.729,62 0.101,63 1.052,64 18.445,65 7.748,66 16.313,67 10.587,68 0.242,69 1.406,70 28.652,71 10.641,72 31.266,73 14.807,74 0.267,75 1.476,76 30.634,77 11.02,78 30.723,79 15.677,80 0.203,81 1.422,82 26.95,83 10.11,84 22.578,85 14.329,86 0.194,87 1.394,88 30.785,89 11.857,90 27.276,91 16.58,92 0.326,93 1.266,94 33.802,95 11.28,96 44.587,97 15.364,98 0.324,99 0.894,100 31.697,101 9.644,102 46.229,103 12.608,104 13,105 38,106 0.258,107 0.653,108 0.85,109 0.892,110 0.892,111 0.892,112 3.191,113 1.001,114 -4.5,115 -4.42,116 -4.17,121 43.2,122 1,123 3,124 2,127 2,137 1,138 1,144 3,145 2,146 2,148 2,176 11,180 4,185 2,187 19,192 3,196 1,197 2,200 13,206 5,209 1,211 5,214 13,219 1,224 4,227 8,232 1,237 5,239 12,247 1,249 5,251 7,261 2,264 6,274 3,277 1,281 641,282 15.696,283 15.696,284 15.696,285 15.696,286 15.696,287 14.124,288 17.534,289 9.262,290 15.985,291 12.868,292 12.868,293 12.868,294 12.868,295 12.868,296 10.39,297 19.716,298 4.427,299 13.401,300 3.976,301 1.713,302 0.58,303 0.335,304 0.335,305 0.335,306 3.891,308 1,310 1,311 1,312 1,313 384,314 2.739,318 149.717,320 49.92,322 124.384,324 75.117,325 1.104,326 17.795,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 48.333,338 175,339 4.686,340 3.508,341 6.986,342 4.303,343 3.319,344 4.594,345 0.68,346 11.934,347 3.265,348 4.143,349 3.064,350 6.24,351 3.826,352 2.84,353 3.624,354 0.4,355 9.32,356 2.801,357 3.814,358 2.858,359 5.569,360 3.416,361 2.451,362 3.131,364 7.471,365 2.369,366 3.567,367 2.548,368 5.39,369 3.2,370 2.228,371 2.925,373 6.847,374 2.166,375 3.406,376 2.457,377 5.125,378 3.013,379 2.084,380 2.725,382 6.137,383 1.907,384 3.012,385 2.151,386 4.836,387 2.838,388 1.88,389 2.045,391 5.356,392 1.773,393 2.89,394 1.959,395 4.666,396 2.659,397 1.692,398 1.914,400 4.872,401 1.587,402 2.662,403 1.689,404 4.037,405 2.409,406 1.456,407 1.695,409 3.311,410 1.381,411 2.346,412 1.261,413 3.621,414 2.045,415 1.079,416 1.321,418 2.442,419 1.028,420 1.526,421 0.811,422 3.202,423 1.303,424 0.381,425 0.415,427 0.812,428 0.347,429 1.422,430 0.512,431 3,432 1.097,433 0.138,434 0.166,436 0.361,437 0.128,438 1.133,439 0.202,440 2.676,441 0.76,442 -0.15,443 -0.181,445 -0.382,446 -0.122,447 0.896,448 0.009,449 2.491,450 0.6,451 -0.362,452 -0.406,454 -0.809,455 -0.305,456 0.667,457 0.004,458 2.376,459 0.535,460 -0.401,461 -0.439,463 -1.016,464 -0.386,465 0.59,466 -0.524,467 2.295,468 0.219,469 -0.703,470 -0.861,472 -1.939,473 -0.621,474 11.348,475 0.493,476 0.606,477 0.026,478 26,479 1.13,480 11.5,481 0.5,482 14.5,483 0.63,484 23.053,485 1.002,486 24.652,487 0.56,488 16.276,489 0.708,490 4.576,491 0.199,492 6.576,493 0.286,494 0.136,496 0.397,501 0.83,502 1.121,503 0.678,504 0.902,505 0.865,506 0.893,507 0.791,508 1.119,509 0.711,510 0.914,511 0.73,512 0.922,513 0.794,514 1.105,515 0.9,516 0.988,517 0.734,518 1.003,519 0.64,520 1.048,521 0.743,522 0.922,523 0.52,524 0.926,525 0.833,526 1.081,527 0.839,528 0.999,529 0.642,530 1.073,531 0.579,532 1.106,533 0.74,534 1.063,535 0.621,536 1.053,537 1.169,538 0.975,539 1.111,540 1.087,541 1.243,542 1.101,543 1.724,544 0.805,545 1.319,546 0.96,547 2.032,548 0.966,549 5,551 2,552 2.188,553 1.662,554 0.965,555 0.605,556 0.472,557 0.193,558 0.067,559 4944,560 12176,561 2.141,562 47.7,563 9,564 8,567 2,568 2,572 1.667,573 2,574 2.922,575 0.235,577 1,582 65.266,583 1.483,584 3.747,585 4.88,586 5.124,587 5.124,588 5.124,589 2.392,590 4.437,591 4.492,592 3.039,593 768.992,594 7.79,595 8319.37,597 1,599 1,600 240.215,601 1.422,602 4.454,603 0.192,605 0.053,606 0.053,607 0.043,608 0.028,609 0.019,610 0.021,611 0.015,612 0.013,613 0.436,614 0.67,615 1,616 1.17,617 103.725,618 -0.071,619 0.032,620 0.017,621 0.076,622 -0.084,623 0.069,624 -0.047,625 -0.028,626 0.037,627 0.056,628 -0.002,629 0.046,630 -0.006,631 -0.051,632 -0.047,633 -0.027,634 -0.031,635 -0.036,636 0.074,637 -0.009,638 0.061,639 0.016,640 0.063,641 0.037,642 -0.115,643 0.004,644 -0.1,645 -0.078,646 -0.071,647 -0.128,648 0.11,649 -0.144,650 0.067,651 -0.096,652 0.088,653 -0.063,654 -0.025,655 -0.042,656 -0.086,657 -0.115,658 -0.018,659 -0.129,660 -0.156,661 0.002,662 -0.014,663 0.062,664 -0.206,665 0.029,666 1.377,667 3.258,668 0.739,669 16.015,670 0.993,671 1.121,672 3.268,673 10.68,674 0.68,675 3.296,676 3.664,677 3.989,678 4.382,679 4.727,680 4.942,681 5.124,682 5.323,683 5.389,684 5.438,685 4.731,686 0.633,687 328.87,688 3.296,689 4.86,690 5.74,691 6.661,692 7.567,693 8.499,694 9.416,695 10.353,696 11.274,697 12.212,698 4.5,703 1,708 1,714 2,715 3,716 1,720 4,722 11,734 1,740 1,741 44,743 12,744 1,745 26,747 47,748 19,749 9,750 3,751 3,756 4,757 10,758 1,763 2,767 3,768 2,770 3,772 11,773 8,774 2,777 1,784 1,786 1,790 1,793 21,794 3,795 2,796 4,797 1,802 2,808 0.25,809 1,810 1,822 1,829 4,831 1,833 2,835 1,849 1,850 1,857 1,859 1,864 1,865 1,868 23,875 1,876 5,877 1,880 2,892 1,893 2.3,894 1,901 11.5,902 8.043,903 4.972,904 2.812,907 2.764,908 1.359,909 0.986,910 3.881,911 10.465,912 3.512,913 4.151,914 4.771,915 5.437,916 6.083,917 6.525,918 6.966,919 7.427,920 7.785,921 7.954,922 1,923 41,924 8.536,926 3.719,927 0.026,929 7.563,931 16.883,933 14.846,936 2.063,937 47.444,938 0.001,940 1,941 223.651,942 76.542,943 34.796,944 39.149,945 42.683,948 76.542,949 305.483,950 34.796,951 8.825,952 9.709,953 80.588,954 34.796,955 20.102,957 223.651,958 39.149,959 223.651,960 111.338,961 42.683,962 39.149,964 223.651,966 42.683,968 23.435,969 43.63,970 83.421,972 223.651,973 77.48,974 115.69,977 223.651,978 29.812,979 46.73,980 18.011,981 98.618,982 223.651,983 77.48,984 115.69,986 0.583,987 0.338,988 0.205,989 0.129,990 21,991 9,992 0.064,993 3,994 4,995 1.412,996 3.395,997 202.942,998 0.471,999 16,1000 104.042,1005 15.132,1006 5.899,1007 2.672,1008 2.046,1009 77.48,1010 5.898,1011 4.937,1015 4.417,1017 60.694,1018 416.821,1019 32.5,1026 2.421,1028 1.487,1031 43.691,1032 49.302,1034 0.272,1035 0.686,1036 0.894,1037 0.939,1038 0.939,1039 0.939,1040 4.785,1041 1.456,1042 5.746,1043 4.872,1044 4.344,1045 4.836,1046 0.809,1047 6.619,1048 4.277,1049 6.004,1050 1.079,1051 7.332,1052 3.311,1053 4.007,1054 4.783,1056 7.594,1057 3.904,1058 7.335,1059 0.381,1060 9.017,1061 2.442,1062 5.984,1063 7.092,1064 0.391,1065 10.767,1066 5.882,1067 8.698,1068 0.138,1069 10.761,1070 0.812,1071 6.431,1072 7.855,1074 12.59,1075 6.309,1076 10.095,1077 -0.15,1078 12.544,1079 0.361,1080 7.914,1081 9.685,1082 0.187,1083 15.297,1084 7.789,1085 11.516,1086 -0.362,1087 14.355,1088 -0.382,1089 8.751,1090 10.844,1092 17.499,1093 8.612,1094 12.956,1095 -0.401,1096 16.189,1097 -0.809,1098 10.037,1099 12.484,1100 0.089,1101 20.047,1102 9.891,1103 3.319,1104 -0.703,1105 18.04,1106 -1.016,1107 11.064,1108 13.837,1110 22.41,1111 10.905,1112 2.84,1113 11.934,1114 19.906,1115 -1.939,1116 12.277,1117 15.401,1118 0.042,1119 24.906,1120 12.107,1121 2.451,1122 9.32,1123 21.785,1124 4.594,1125 13.392,1126 16.845,1128 27.335,1129 13.207,1130 2.228,1131 7.471,1132 23.673,1133 3.624,1134 14.582,1135 18.381,1136 0.019,1137 29.814,1138 14.384,1139 2.084,1140 6.847,1141 25.57,1142 3.131,1143 15.737,1144 19.867,1146 32.27,1147 15.524,1148 1.88,1149 6.137,1150 27.474,1151 2.925,1152 16.923,1153 21.393,1154 0.009,1155 34.746,1156 16.695,1157 1.692,1158 5.356,1159 29.384,1160 2.725,1161 18.097,1162 22.899,1164 37.214,1165 17.854,1166 4765,1167 7572,1168 17.512,1169 29.938,1170 39.447,1171 40.033,1172 41.036,1173 39.233,1174 39.095,1175 49.109,1176 2.16,1177 117.724,1178 37.509,1179 5.64,1180 5.508,1181 6.844,1182 5.345,1183 5.319,1184 7.594,1185 1.36,1186 19.51,1187 5.265,1188 10.439,1189 1.517,1190 1.54,1191 1.578,1192 1.509,1193 1.504,1194 1.889,1195 0.083,1196 4.528,1197 1.443,1198 4.14,1199 4.168,1200 4.139,1201 4.074,1202 6.456,1203 4.075,1204 3.874,1205 3.907,1206 3.866,1207 3.813,1208 5.038,1209 3.802,1210 3.569,1211 3.633,1212 3.597,1213 3.415,1214 4.696,1215 3.411,1216 3.445,1217 3.497,1218 3.359,1219 3.292,1220 4.431,1221 3.291,1222 3.219,1223 3.274,1224 3.192,1225 3.097,1226 4.181,1227 3.081,1228 3.138,1229 3.216,1230 3.025,1231 2.988,1232 4.045,1233 2.973,1234 2.961,1235 3.027,1236 2.903,1237 2.825,1238 3.811,1239 2.815,1240 2.745,1241 2.83,1242 2.749,1243 2.603,1244 3.567,1245 2.582,1246 0.18,1247 0.135,1248 0.269,1249 0.165,1250 0.128,1251 4.686,1252 0.177,1253 3.508,1254 0.026,1255 6.986,1256 0.459,1257 4.303,1258 0.126,1259 3.319,1260 4.594,1261 0.68,1262 11.934,1263 3.265,1264 2.097,1265 2.073,1266 2.187,1267 2.182,1268 1.535,1269 2.185,1270 1.881,1271 1.85,1272 1.999,1273 1.97,1274 1.191,1275 1.988,1276 1.528,1277 1.473,1278 1.77,1279 1.767,1280 0.987,1281 1.772,1282 1.44,1283 1.382,1284 1.689,1285 1.599,1286 0.918,1287 1.633,1288 1.224,1289 1.171,1290 1.485,1291 1.389,1292 0.769,1293 1.421,1294 1.145,1295 1.074,1296 1.379,1297 1.347,1298 0.586,1299 1.372,1300 0.944,1301 0.888,1302 1.191,1303 1.168,1304 0.381,1305 1.173,1306 0.741,1307 0.671,1308 1.149,1309 1.006,1310 0.234,1311 1.063,1312 3.97,1314 5.323,1316 6.891,1318 8.574,1320 10.322,1322 2.235,1323 6.164,1327 9.258,1328 3.994,1329 3.45,1332 1.138,1340 27.853,1341 65.266,1342 164.857,1343 214.705,1344 225.46,1345 225.46,1346 225.46,1347 32.529,1348 7.701,1349 45.15,1350 45.15,1351 24,1352 12.712,1353 3.7,1354 2.907,1355 31.491,1356 65,1357 72,1358 0.249,1359 171.805,1360 296.18,1361 410.963,1362 21096,1363 2.3,1364 15.974,1365 0.695,1366 0.61,1367 16.474,1368 14.028,1369 11.152,1370 0.429,1371 0.334,1372 8.268,1373 10.626,1374 8.008,1375 6.573,1376 11.441,1377 8.673,1378 10.395,1379 0.274,1380 0.19,1381 10.804,1382 7.209,1383 8.646,1384 0.163,1385 0.099,1386 8.908,1387 5.253,1388 8.11,1389 0.103,1390 0.056,1391 8.344,1392 4.423,1393 7.073,1394 0.063,1395 0.03,1396 7.304,1397 3.415,1398 0.367,1399 71.658,1400 0.239,1401 21.69,1402 0.762,1403 128,1404 294.331,1405 148.733,1406 321.132,1407 438.95,1408 302,1409 155,1410 302.885,1411 170.14,1412 320.767,1413 476.01,1414 304,1415 8.015}
{0 CHEMBL584003,1 1.425,2 8.273,3 3.103,4 9.628,5 86.013,6 6.87,7 0.385,8 3.882,9 4.006,10 3.411,11 3.458,12 4.817,13 3.422,14 4.472,15 4.652,16 3.796,17 3.895,18 5.345,19 3.824,20 4.743,21 4.968,22 3.898,23 4.031,24 5.601,25 3.944,26 4.793,27 5.027,28 3.827,29 4.021,30 5.67,31 3.918,32 4.757,33 5.008,34 3.62,35 3.919,36 5.571,37 3.791,38 4.664,39 4.943,40 3.467,41 3.764,42 5.452,43 3.626,44 4.41,45 4.672,46 3.118,47 3.522,48 5.218,49 3.368,50 4.199,51 4.484,52 2.835,53 3.336,54 4.854,55 3.151,56 0.042,57 0.651,58 9.95,59 4.232,60 6.698,61 5.809,62 0.179,63 1.091,64 18.902,65 7.725,66 14.937,67 10.873,68 0.207,69 1.378,70 25.688,71 9.608,72 23.273,73 13.813,74 0.323,75 1.419,76 27.564,77 9.504,78 32.63,79 13.863,80 0.282,81 1.341,82 26.882,83 8.786,84 27.884,85 13.079,86 0.243,87 1.171,88 24.83,89 8.165,90 25.502,91 12.243,92 0.229,93 0.901,94 19.231,95 6.332,96 25.351,97 9.28,98 0.134,99 0.731,100 15.334,101 5.491,102 14.572,103 8.195,104 6,105 40,106 0.249,107 0.568,108 0.758,109 0.847,110 0.847,111 0.847,112 3.149,113 0.982,114 -4.67,115 -4.59,116 -4.31,121 41.9,122 1,123 6,124 3,137 1,138 1,145 1,146 1,148 2,163 2,165 1,166 1,167 1,176 13,179 2,180 4,185 1,187 14,189 1,191 1,192 7,194 1,195 1,197 1,200 11,203 1,206 7,208 2,209 2,211 3,214 7,216 3,219 8,224 3,227 4,229 3,232 6,237 4,239 4,241 4,244 4,249 1,251 7,253 1,256 2,264 8,269 1,277 5,281 512,282 15.229,283 15.229,284 15.229,285 15.229,286 15.229,287 13.864,288 17.943,289 8.527,290 15.343,291 12.815,292 12.815,293 12.815,294 12.815,295 12.815,296 10.525,297 15.557,298 4.034,299 13.031,300 4.001,301 2.17,302 1.082,303 0.576,304 0.576,305 0.576,306 3.854,310 1,311 1,312 1,313 422,314 2.449,315 27.951,317 32.85,318 107.442,320 50.112,321 54.919,322 57.171,324 72.858,325 1.322,326 18.157,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 46.5,338 182,339 4.704,340 3.505,341 6.95,342 4.305,343 3.326,344 4.632,345 0.68,346 11.734,347 3.259,348 4.232,349 3.208,350 6.379,351 3.982,352 2.996,353 3.685,355 9.854,356 2.954,357 3.925,358 2.953,359 6.031,360 3.697,361 2.705,362 3.18,364 8.631,365 2.681,366 3.69,367 2.605,368 5.581,369 3.361,370 2.369,371 2.927,373 7.497,374 2.347,375 3.478,376 2.489,377 5.378,378 3.191,379 2.211,380 2.816,382 6.819,383 2.169,384 3.03,385 2.095,386 4.987,387 2.849,388 1.875,389 2.058,391 5.644,392 1.822,393 2.946,394 1.897,395 4.876,396 2.75,397 1.763,398 1.987,400 5.305,401 1.738,402 2.749,403 1.512,404 4.465,405 2.422,406 1.454,407 1.799,409 4.281,410 1.404,411 2.181,412 0.906,413 3.906,414 1.742,415 0.788,416 1.065,418 2.361,419 0.749,420 1.573,421 0.649,422 3.266,423 1.435,424 0.436,425 0.46,427 0.641,428 0.436,429 1.301,430 0.431,431 2.967,432 1.081,433 0.106,434 0.118,436 0.306,437 0.103,438 1.196,439 0.056,440 2.816,441 0.891,442 -0.069,443 -0.084,445 -0.203,446 -0.066,447 0.678,448 -0.265,449 2.654,450 0.552,451 -0.435,452 -0.47,454 -1.112,455 -0.429,456 0.623,457 -0.496,458 2.541,459 0.347,460 -0.634,461 -0.695,463 -1.667,464 -0.621,465 0.327,466 -0.597,467 2.399,468 0.165,469 -0.824,470 -0.961,472 -2.425,473 -0.814,474 10.533,475 0.479,476 0.619,477 0.028,478 24.25,479 1.102,480 9.5,481 0.432,482 14.75,483 0.67,484 22.033,485 1.002,486 23.667,487 0.55,488 13.538,489 0.615,490 3.679,491 0.167,492 7.046,493 0.32,494 0.085,496 0.475,501 0.893,502 1.168,503 0.838,504 1.033,505 0.989,506 0.942,507 0.587,508 1.175,509 0.827,510 1.098,511 0.535,512 1.011,513 0.828,514 1.105,515 0.847,516 1.028,517 0.801,518 0.955,519 1.178,520 1.075,521 1.044,522 1.012,523 1.134,524 1.013,525 1.384,526 1.079,527 1.191,528 1.037,529 1.536,530 1.078,531 1.174,532 0.95,533 0.996,534 0.916,535 1.212,536 0.925,537 1.578,538 0.976,539 1.265,540 1.014,541 1.633,542 1.093,543 0.815,544 0.891,545 1.114,546 1.024,547 0.976,548 1.078,549 5,550 0.02,551 1.833,552 2.264,553 1.529,554 0.813,555 0.481,556 0.183,557 0.108,558 0.065,559 5084,560 9248,561 2.258,562 48.8,563 15,564 1,567 2,568 3,572 1.649,573 2.129,574 3.029,575 0.259,576 1,577 1,579 1,582 61.277,583 1.425,584 3.256,585 4.344,586 4.851,587 4.851,588 4.851,589 2.517,590 4.187,591 4.429,592 3.124,593 721.727,594 7.629,595 7408.16,597 1,599 1,600 233.329,601 1.349,602 4.401,603 0.192,604 0.007,605 0.05,606 0.057,607 0.042,608 0.029,609 0.02,610 0.011,611 0.009,612 0.009,613 0.426,614 0.5,615 0.88,616 0.72,617 98.115,618 -0.033,619 0.02,620 0.079,621 0.056,622 -0.031,623 0.08,624 0.278,625 -0.1,626 0.109,627 -0.043,628 0.233,629 0.004,630 0.119,631 -0.077,632 0.119,633 -0.029,634 0.119,635 0.031,636 -0.004,637 -0.045,638 -0.054,639 -0.047,640 0.026,641 -0.057,642 -0.21,643 -0.058,644 -0.196,645 -0.098,646 -0.275,647 -0.137,648 -0.091,649 0.014,650 0.004,651 0.02,652 -0.091,653 0.026,654 -0.276,655 -0.005,656 -0.258,657 -0.075,658 -0.263,659 -0.152,660 -0.107,661 0.065,662 -0.154,663 -0.061,664 -0.117,665 -0.098,666 1.016,667 2.514,668 0.864,669 14.736,670 0.99,671 1.127,672 3.439,673 11.825,674 0.659,675 3.296,676 3.714,677 4.043,678 4.419,679 4.718,680 4.97,681 5.176,682 5.371,683 5.489,684 5.587,685 4.806,686 0.617,687 295.42,688 3.296,689 4.89,690 5.802,691 6.737,692 7.662,693 8.601,694 9.53,695 10.472,696 11.404,697 12.347,698 7,702 1,708 2,714 2,716 2,718 1,720 4,722 10,733 1,741 43,743 11,745 26,747 47,748 18,749 6,756 5,757 11,763 1,767 5,768 3,770 6,772 8,773 10,774 3,777 1,784 1,786 1,789 1,790 1,793 21,794 4,795 2,796 4,802 3,808 0.4,809 1,813 1,822 1,826 1,828 1,829 3,831 1,832 1,833 1,835 1,849 1,850 1,859 2,864 1,868 22,869 1,876 6,880 3,893 2.3,898 1,901 10.333,902 7.983,903 4.583,904 3.103,907 2.461,908 1.315,909 1.046,910 2.655,911 10.286,912 3.497,913 4.163,914 4.793,915 5.455,916 6.024,917 6.526,918 6.988,919 7.444,920 7.704,921 7.976,922 0.833,923 40,924 8.217,926 3.743,927 0.026,929 7.417,931 16.523,933 15.29,936 1.917,937 42.167,938 0.001,940 1,941 223.651,942 56.965,943 66.468,945 9.507,948 56.965,949 233.158,950 66.468,951 8.825,952 15.207,953 42.373,954 42.998,955 23.536,957 223.651,959 223.651,960 123.433,961 9.507,964 223.651,965 9.507,968 38.361,969 42.025,970 43.047,972 223.651,973 75.976,974 56.965,977 223.651,978 38.663,979 18.301,981 75.976,982 223.651,983 75.976,984 56.965,986 0.602,987 0.35,988 0.2,989 0.111,990 25,991 10,992 0.043,993 2,994 4,995 1.368,996 3.466,997 198.194,998 0.421,999 18,1000 96.107,1005 12.981,1006 4.499,1007 2.015,1008 1.449,1009 75.976,1011 9.461,1013 5.886,1015 4.081,1017 32.897,1018 356.591,1019 32,1026 2.47,1028 1.574,1031 42.585,1032 48.441,1034 0.263,1035 0.6,1036 0.801,1037 0.894,1038 0.894,1039 0.894,1040 4.808,1041 1.454,1042 5.826,1043 5.305,1044 4.394,1045 4.848,1046 0.655,1047 6.727,1048 4.36,1049 6.049,1050 0.788,1051 7.439,1052 4.281,1053 4.205,1054 4.879,1056 7.774,1057 4.159,1058 7.399,1059 0.436,1060 9.145,1061 2.361,1062 6.098,1063 7.118,1064 0.356,1065 10.896,1066 6.032,1067 8.777,1068 0.106,1069 10.904,1070 0.641,1071 6.648,1072 7.947,1074 12.712,1075 6.566,1076 10.186,1077 -0.069,1078 12.695,1079 0.306,1080 8.079,1081 9.73,1082 0.18,1083 15.388,1084 7.98,1085 11.616,1086 -0.435,1087 14.51,1088 -0.203,1089 8.965,1090 10.935,1092 17.55,1093 8.847,1094 13.063,1095 -0.634,1096 16.343,1097 -1.112,1098 10.225,1099 12.55,1100 0.087,1101 20.071,1102 10.089,1103 3.326,1104 -0.824,1105 18.189,1106 -1.667,1107 11.269,1108 13.932,1110 22.39,1111 11.111,1112 2.996,1113 11.734,1114 20.048,1115 -2.425,1116 12.467,1117 15.486,1118 0.041,1119 24.858,1120 12.29,1121 2.705,1122 9.854,1123 21.917,1124 4.632,1125 13.583,1126 16.949,1128 27.249,1129 13.384,1130 2.369,1131 8.631,1132 23.794,1133 3.685,1134 14.763,1135 18.483,1136 0.019,1137 29.701,1138 14.544,1139 2.211,1140 7.497,1141 25.678,1142 3.18,1143 15.913,1144 19.982,1146 32.125,1147 15.672,1148 1.875,1149 6.819,1150 27.569,1151 2.927,1152 17.09,1153 21.512,1154 0.009,1155 34.576,1156 16.829,1157 1.763,1158 5.644,1159 29.465,1160 2.816,1161 18.258,1162 23.028,1164 37.016,1165 17.974,1166 4617,1167 6373,1168 17.918,1169 28.324,1170 40.542,1171 40.709,1172 42.098,1173 40.055,1174 40.058,1175 49.453,1176 1.36,1177 126.143,1178 39.324,1179 5.659,1180 5.505,1181 6.484,1182 5.357,1183 5.326,1184 7.632,1185 1.36,1186 19.326,1187 5.259,1188 7.975,1189 1.559,1190 1.566,1191 1.619,1192 1.541,1193 1.541,1194 1.902,1195 0.052,1196 4.852,1197 1.512,1198 4.154,1199 4.18,1200 4.122,1201 4.035,1202 5.293,1203 4.048,1204 3.931,1205 3.969,1206 3.842,1207 3.826,1208 4.947,1209 3.825,1210 3.749,1211 3.796,1212 3.645,1213 3.642,1214 4.535,1215 3.64,1216 3.472,1217 3.54,1218 3.324,1219 3.33,1220 4.322,1221 3.319,1222 3.221,1223 3.294,1224 3.099,1225 3.065,1226 4.098,1227 3.058,1228 3.148,1229 3.214,1230 2.989,1231 2.959,1232 3.915,1233 2.962,1234 2.92,1235 3.023,1236 2.765,1237 2.69,1238 3.797,1239 2.673,1240 2.867,1241 2.961,1242 2.644,1243 2.629,1244 3.536,1245 2.65,1246 0.181,1247 0.135,1248 0.267,1249 0.166,1250 0.128,1251 4.704,1252 0.178,1253 3.505,1254 0.026,1255 6.95,1256 0.451,1257 4.305,1258 0.125,1259 3.326,1260 4.632,1261 0.68,1262 11.734,1263 3.259,1264 2.04,1265 2.01,1266 2.163,1267 2.141,1268 1.533,1269 2.148,1270 1.723,1271 1.689,1272 1.865,1273 1.865,1274 1.075,1275 1.863,1276 1.457,1277 1.391,1278 1.688,1279 1.646,1280 0.885,1281 1.675,1282 1.393,1283 1.368,1284 1.545,1285 1.638,1286 0.853,1287 1.596,1288 1.214,1289 1.143,1290 1.513,1291 1.411,1292 0.829,1293 1.447,1294 1.153,1295 1.064,1296 1.506,1297 1.376,1298 0.825,1299 1.429,1300 0.983,1301 0.924,1302 1.288,1303 1.229,1304 0.501,1305 1.23,1306 0.852,1307 0.76,1308 1.176,1309 1.162,1310 0.343,1311 1.199,1312 3.97,1313 1.946,1314 5.361,1315 3.932,1316 6.956,1317 5.861,1318 8.647,1319 7.761,1320 10.392,1322 2.248,1326 6.514,1328 6.844,1332 1.64,1340 26.52,1341 61.277,1342 140.006,1343 186.8,1344 208.574,1345 208.574,1346 208.574,1347 28.753,1348 7.825,1349 64.94,1350 64.94,1351 26,1352 12.842,1353 3.585,1354 2.807,1355 26.843,1356 65,1357 66,1358 0.217,1359 156.208,1360 264.95,1361 372.907,1362 24094,1364 14.845,1365 0.675,1366 0.588,1367 14.845,1368 12.932,1369 10.725,1370 0.412,1371 0.327,1372 8.441,1373 10.463,1374 8.252,1375 6.754,1376 10.725,1377 8.508,1378 10.268,1379 0.257,1380 0.179,1381 10.268,1382 7.145,1383 8.915,1384 0.159,1385 0.094,1386 8.915,1387 5.242,1388 8.186,1389 0.1,1390 0.051,1391 8.186,1392 4.185,1393 6.744,1394 0.061,1395 0.028,1396 6.744,1397 3.158,1398 0.324,1399 66.27,1400 0.236,1401 21.06,1402 0.643,1403 132,1404 288.338,1405 141.563,1406 282.741,1407 410.49,1408 268,1409 165,1410 328.752,1411 175.757,1412 330.874,1413 500.39,1414 315,1415 4.301}
{0 CHEMBL584603,1 1.312,2 7.5,3 2.881,4 8.301,5 79.987,6 6.805,7 0.478,8 3.761,9 3.894,10 3.276,11 3.37,12 4.741,13 3.32,14 4.34,15 4.522,16 3.677,17 3.831,18 5.224,19 3.752,20 4.657,21 4.878,22 3.798,23 4.02,24 5.502,25 3.913,26 4.73,27 4.98,28 3.708,29 3.979,30 5.592,31 3.848,32 4.696,33 4.97,34 3.462,35 3.871,36 5.503,37 3.713,38 4.574,39 4.873,40 3.198,41 3.689,42 5.279,43 3.489,44 4.303,45 4.614,46 2.839,47 3.364,48 5.056,49 3.163,50 3.885,51 4.194,52 2.282,53 2.944,54 4.615,55 2.712,56 0.045,57 0.582,58 8.815,59 3.689,60 7.527,61 5.222,62 0.102,63 0.993,64 16.325,65 6.871,66 12.062,67 9.77,68 0.127,69 1.311,70 23.098,71 9.136,72 18.221,73 13.292,74 0.223,75 1.382,76 25.517,77 9.414,78 28.613,79 13.896,80 0.233,81 1.299,82 25.182,83 8.524,84 29.18,85 12.869,86 0.139,87 1.074,88 22.274,89 8.593,90 20.056,91 12.703,92 0.149,93 0.818,94 17.25,95 6.008,96 21.597,97 9.078,98 0.091,99 0.526,100 11.238,101 4.084,102 13.909,103 6.108,104 6,105 34,106 0.234,107 0.629,108 0.814,109 0.876,110 0.876,111 0.876,112 3.061,113 0.976,114 -4.34,115 -4.28,116 -4.04,121 43.6,122 1,123 4,124 2,137 1,138 1,144 2,145 2,146 1,147 1,148 1,151 1,165 1,166 1,167 1,176 12,179 1,180 5,185 2,187 16,189 2,192 4,197 2,200 13,203 2,206 6,208 2,209 2,211 4,214 12,216 4,219 3,224 2,227 9,229 2,232 4,237 2,239 7,241 2,244 2,249 1,251 5,253 1,256 1,264 3,269 1,277 1,281 394,282 13.834,283 13.834,284 13.834,285 13.834,286 13.834,287 12.287,288 13.092,289 7.957,290 13.963,291 11.327,292 11.327,293 11.327,294 11.327,295 11.327,296 8.901,297 12.616,298 3.737,299 11.553,300 3.973,301 1.766,302 0.725,303 0.378,304 0.378,305 0.378,306 3.763,310 1,311 1,312 1,313 336,314 2.236,318 122.068,320 39.904,322 100.408,324 59.448,325 1.15,326 12.762,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 41.5,338 150,339 4.664,340 3.492,341 6.938,342 4.282,343 3.298,344 4.567,345 0.68,346 11.68,347 3.246,348 4.119,349 3.017,350 6.219,351 3.805,352 2.818,353 3.556,355 9.23,356 2.78,357 3.793,358 2.657,359 5.586,360 3.385,361 2.398,362 3.122,364 7.526,365 2.368,366 3.499,367 2.496,368 5.378,369 3.193,370 2.216,371 2.861,373 6.818,374 2.167,375 3.049,376 2.1,377 4.98,378 2.862,379 1.887,380 2.187,382 5.641,383 1.835,384 3.001,385 1.903,386 4.871,387 2.735,388 1.76,389 2.061,391 5.241,392 1.71,393 2.835,394 1.423,395 3.911,396 2.384,397 1.403,398 1.909,400 3.075,401 1.375,402 2.407,403 1.081,404 3.647,405 1.959,406 1.003,407 1.371,409 2.603,410 0.956,411 1.58,412 0.652,413 3.233,414 1.436,415 0.436,416 0.461,418 0.641,419 0.436,420 1.342,421 0.469,422 2.951,423 1.125,424 0.14,425 0.158,427 0.409,428 0.138,429 1.324,430 0.122,431 2.814,432 0.942,438 0.853,439 -0.423,440 2.542,441 0.506,442 -0.468,443 -0.562,445 -1.267,446 -0.454,447 0.575,448 -0.542,449 2.403,450 0.247,451 -0.74,452 -0.836,454 -1.842,455 -0.729,456 0.33,457 -0.655,458 2,459 0.106,460 -0.865,461 -1.04,463 -2.12,464 -0.838,465 0.325,466 -0.834,467 1.972,468 0.046,469 -0.941,470 -1.228,472 -2.718,473 -0.929,474 9.7,475 0.485,476 0.5,477 0.025,478 24.25,479 1.213,480 11.5,481 0.575,482 12.75,483 0.638,484 17.928,485 0.896,486 20.9,487 0.536,488 13.871,489 0.694,490 4.067,491 0.203,492 5.692,493 0.285,494 0.093,496 0.412,501 0.969,502 1.107,503 0.871,504 0.963,505 1.073,506 0.919,507 0.644,508 1.066,509 0.848,510 1.008,511 0.587,512 0.957,513 0.839,514 1.186,515 0.935,516 1.084,517 0.772,518 1.029,519 0.973,520 1.114,521 1.022,522 1.08,523 0.97,524 1.059,525 1.585,526 0.939,527 1.201,528 0.974,529 1.565,530 1.041,531 0.717,532 0.992,533 0.94,534 1.022,535 0.803,536 1.004,537 1.242,538 0.823,539 1.039,540 0.88,541 1.183,542 0.931,543 1.128,544 0.889,545 1.151,546 1.027,547 1.306,548 1.08,549 4,550 0.012,551 1.778,552 2,553 1.471,554 0.771,555 0.323,556 0.158,557 0.057,558 0.026,559 3549,560 6867,561 2.195,562 48.7,563 11,564 3,566 1,567 2,568 2,572 1.623,573 2.069,574 2.896,575 0.262,577 1,579 1,582 51.178,583 1.312,584 3.52,585 4.561,586 4.907,587 4.907,588 4.907,589 2.409,590 3.309,591 4.295,592 2.948,593 560.125,594 7.365,595 5354.36,596 1,597 1,598 1,599 1,600 206.131,601 1.361,602 4.262,603 0.174,604 0.012,605 0.052,606 0.054,607 0.046,608 0.032,609 0.018,610 0.013,611 0.01,612 0.009,613 0.42,614 0.83,615 1,616 0.764,617 85.361,618 -0.054,619 0.044,620 0.058,621 0.08,622 -0.065,623 0.079,624 0.159,625 -0.003,626 0.089,627 0.026,628 0.141,629 0.047,630 0.04,631 -0.17,632 0.019,633 -0.08,634 0.057,635 -0.041,636 0.119,637 -0.108,638 -0.044,639 -0.117,640 0.128,641 -0.098,642 -0.299,643 0.07,644 -0.204,645 -0.044,646 -0.264,647 -0.103,648 0.053,649 -0.104,650 0.032,651 -0.041,652 0.021,653 -0.012,654 -0.151,655 0.098,656 -0.039,657 0.057,658 -0.102,659 0.025,660 -0.174,661 0.012,662 -0.166,663 -0.076,664 -0.245,665 -0.113,666 0.872,667 2.463,668 0.85,669 11.67,670 0.984,671 1.124,672 3.115,673 9.7,674 0.669,675 3.178,676 3.555,677 3.912,678 4.277,679 4.595,680 4.771,681 4.956,682 5.118,683 5.204,684 5.198,685 4.333,686 0.623,687 265.39,688 3.178,689 4.745,690 5.638,691 6.558,692 7.468,693 8.396,694 9.311,695 10.243,696 11.161,697 12.094,698 7.7,702 1,708 2,714 2,715 3,716 2,720 3,722 11,733 1,741 39,743 12,745 23,747 42,748 17,749 8,756 4,757 10,763 1,767 3,768 2,770 4,772 10,773 7,774 2,777 1,784 1,786 1,789 1,790 1,793 19,794 3,795 2,796 3,802 3,808 0.25,822 2,829 4,831 1,833 2,835 1,849 1,850 1,859 1,864 1,868 20,869 1,876 4,880 2,901 9.667,902 7.233,903 4.306,904 2.675,907 2.758,908 1.37,909 1.034,910 2.645,911 10.212,912 3.418,913 4.069,914 4.714,915 5.349,916 5.963,917 6.357,918 6.799,919 7.229,920 7.622,921 7.745,922 1,923 37,924 7.427,926 3.268,927 0.026,929 7.433,931 14.836,933 13.219,936 1.933,937 38.667,938 0.002,941 200.109,942 72.612,943 66.468,948 72.612,949 200.109,950 66.468,951 8.825,952 10.138,953 61.326,954 45.342,955 25.22,957 188.338,959 200.109,960 139.081,964 201.824,968 30.767,969 63.551,970 43.047,972 200.109,973 66.468,974 72.612,977 200.109,978 26.311,979 46.301,981 66.468,982 200.109,983 66.468,984 72.612,986 0.589,987 0.362,988 0.212,989 0.122,990 20,991 8,992 0.024,993 1,994 4,995 1.412,996 3.18,997 168.769,998 0.471,999 16,1000 86.439,1005 12.047,1006 4.391,1007 1.81,1008 1.806,1009 66.468,1010 5.771,1011 9.158,1015 3.404,1017 32.897,1018 339.189,1019 29.5,1026 2.472,1028 1.586,1031 38.374,1032 43.817,1034 0.248,1035 0.666,1036 0.863,1037 0.928,1038 0.928,1039 0.928,1040 4.689,1041 1.003,1042 5.645,1043 3.075,1044 4.234,1045 4.754,1046 0.655,1047 6.526,1048 4.197,1049 5.911,1050 0.436,1051 7.241,1052 2.603,1053 3.892,1054 4.663,1056 7.516,1057 3.843,1058 7.244,1059 0.14,1060 8.934,1061 0.641,1062 5.889,1063 7.02,1064 0.356,1065 10.681,1066 5.821,1067 8.611,1069 10.685,1070 0.409,1071 6.347,1072 7.765,1074 12.491,1075 6.267,1076 10.011,1077 -0.468,1078 12.474,1080 7.833,1081 9.617,1082 0.18,1083 15.187,1084 7.737,1085 11.435,1086 -0.74,1087 14.289,1088 -1.267,1089 8.677,1090 10.767,1092 17.361,1093 8.567,1094 12.878,1095 -0.865,1096 16.124,1097 -1.842,1098 9.963,1099 12.416,1100 0.087,1101 19.895,1102 9.837,1103 3.298,1104 -0.941,1105 17.975,1106 -2.12,1107 10.99,1108 13.763,1110 22.228,1111 10.849,1112 2.818,1113 11.68,1114 19.839,1115 -2.718,1116 12.201,1117 15.329,1118 0.041,1119 24.706,1120 12.044,1121 2.398,1122 9.23,1123 21.714,1124 4.567,1125 13.313,1126 16.768,1128 27.107,1129 13.14,1130 2.216,1131 7.526,1132 23.598,1133 3.556,1134 14.499,1135 18.302,1136 0.019,1137 29.567,1138 14.31,1139 1.887,1140 6.818,1141 25.49,1142 3.122,1143 15.65,1144 19.783,1146 31.998,1147 15.444,1148 1.76,1149 5.641,1150 27.388,1151 2.861,1152 16.831,1153 21.305,1154 0.009,1155 34.453,1156 16.609,1157 1.403,1158 5.241,1159 29.291,1160 2.187,1161 18,1162 22.806,1164 36.897,1165 17.761,1166 3360,1167 4778,1168 15.72,1169 26.108,1170 35.008,1171 35.275,1172 36.308,1173 34.766,1174 34.717,1175 44.506,1176 1.36,1177 105.729,1178 34.019,1179 5.619,1180 5.492,1181 6.619,1182 5.332,1183 5.298,1184 7.567,1185 1.36,1186 19.25,1187 5.246,1188 7.431,1189 1.522,1190 1.534,1191 1.579,1192 1.512,1193 1.509,1194 1.935,1195 0.059,1196 4.597,1197 1.479,1198 4.125,1199 4.159,1200 4.084,1201 4.043,1202 5.174,1203 4.048,1204 3.866,1205 3.907,1206 3.785,1207 3.781,1208 4.865,1209 3.778,1210 3.525,1211 3.587,1212 3.403,1213 3.415,1214 4.515,1215 3.404,1216 3.295,1217 3.369,1218 3.153,1219 3.153,1220 4.288,1221 3.143,1222 3.211,1223 3.29,1224 3.056,1225 3.056,1226 3.942,1227 3.043,1228 2.958,1229 3.057,1230 2.817,1231 2.756,1232 3.818,1233 2.743,1234 2.905,1235 2.993,1236 2.701,1237 2.711,1238 3.549,1239 2.72,1240 2.685,1241 2.778,1242 2.506,1243 2.53,1244 3.514,1245 2.519,1246 0.203,1247 0.152,1248 0.302,1249 0.186,1250 0.143,1251 4.664,1252 0.199,1253 3.492,1254 0.03,1255 6.938,1256 0.508,1257 4.282,1258 0.141,1259 3.298,1260 4.567,1261 0.68,1262 11.68,1263 3.246,1264 2.079,1265 2.05,1266 2.181,1267 2.179,1268 1.537,1269 2.179,1270 1.861,1271 1.824,1272 1.983,1273 1.975,1274 1.123,1275 1.984,1276 1.54,1277 1.483,1278 1.804,1279 1.704,1280 1.012,1281 1.742,1282 1.288,1283 1.229,1284 1.521,1285 1.486,1286 0.848,1287 1.493,1288 1.224,1289 1.151,1290 1.483,1291 1.424,1292 0.591,1293 1.458,1294 0.937,1295 0.857,1296 1.281,1297 1.2,1298 0.501,1299 1.204,1300 0.891,1301 0.802,1302 1.182,1303 1.152,1304 0.261,1305 1.201,1306 0.691,1307 0.616,1308 0.993,1309 0.929,1310 0.06,1311 0.956,1312 3.85,1314 5.209,1316 6.795,1318 8.489,1320 10.242,1322 2.25,1326 6.463,1328 4.558,1332 1.199,1340 24.279,1341 51.178,1342 137.27,1343 177.866,1344 191.376,1345 191.376,1346 191.376,1347 24.408,1348 7.454,1349 51.8,1350 51.8,1351 24,1352 12.596,1353 3.7,1354 2.907,1355 26.008,1356 53,1357 56,1358 0.259,1359 147.085,1360 248.58,1361 350.648,1362 15667,1364 13.69,1365 0.684,1366 0.588,1367 13.69,1368 11.764,1369 9.758,1370 0.424,1371 0.325,1372 7.444,1373 9.596,1374 7.24,1375 5.977,1376 9.758,1377 7.484,1378 8.984,1379 0.264,1380 0.178,1381 8.984,1382 6.04,1383 8.097,1384 0.165,1385 0.098,1386 8.097,1387 4.804,1388 7.434,1389 0.105,1390 0.055,1391 7.434,1392 3.903,1393 6.338,1394 0.065,1395 0.031,1396 6.338,1397 3.035,1398 0.382,1399 59.701,1400 0.252,1401 19.153,1402 0.79,1403 114,1404 234.602,1405 118.857,1406 238.853,1407 344.92,1408 226,1409 140,1410 270.127,1411 145.329,1412 277.817,1413 413.54,1414 264,1415 6.068}
{0 CHEMBL58511,1 1.423,2 12.385,3 2.579,4 6.65,5 101.169,6 6.855,7 0.444,8 4.015,9 4.128,10 3.502,11 3.484,12 5.123,13 3.462,14 4.545,15 4.73,16 3.809,17 3.824,18 5.55,19 3.799,20 4.734,21 4.894,22 3.943,23 4.038,24 5.855,25 3.973,26 4.934,27 5.161,28 3.843,29 4.104,30 5.911,31 3.985,32 4.955,33 5.208,34 3.679,35 4.029,36 5.922,37 3.872,38 4.77,39 5.043,40 3.554,41 3.78,42 5.759,43 3.642,44 4.465,45 4.677,46 3.394,47 3.546,48 5.541,49 3.471,50 4.35,51 4.562,52 3.304,53 3.519,54 5.328,55 3.414,56 0.004,57 0.677,58 11.689,59 4.982,60 9.848,61 6.548,62 0.278,63 1.042,64 21.746,65 7.336,66 24.611,67 9.907,68 0.385,69 1.266,70 25.688,71 9.864,72 44.362,73 13.135,74 0.267,75 1.46,76 32.051,77 12.036,78 45.064,79 16.635,80 0.482,81 1.406,82 33.552,83 12.254,84 63.309,85 17.129,86 0.462,87 1.131,88 28.312,89 9.823,90 57.834,91 13.993,92 0.47,93 0.836,94 21.066,95 6.696,96 49.737,97 8.905,98 0.234,99 0.795,100 17.959,101 6.579,102 31.759,103 8.941,104 48,105 37,106 0.24,107 0.538,108 0.73,109 0.787,110 0.802,111 0.809,112 3.303,113 0.945,114 -0.21,115 -0.35,116 -0.52,121 40.4,126 4,127 2,136 1,137 1,144 7,145 1,146 4,159 1,176 6,180 5,187 4,189 3,191 2,192 9,200 3,203 3,206 5,214 2,218 1,219 3,221 1,227 6,231 2,232 2,239 8,243 1,244 1,251 6,256 3,258 1,264 2,266 1,269 4,279 2,281 992,282 17.273,283 17.273,284 17.273,285 17.273,286 17.273,287 15.642,288 23.034,289 10.068,290 17.838,291 13.098,292 13.098,293 13.098,294 13.098,295 13.098,296 10.449,297 27.377,298 4.423,299 13.834,300 4.278,301 2.507,302 1.374,303 1.034,304 0.943,305 0.904,306 3.963,310 1,311 1,312 1,313 653,314 4.183,318 201.279,325 1.923,326 23.831,328 1,329 1,330 1,331 0.83,332 0.9,333 1,334 1,335 1,336 0.96,337 56.5,338 322,339 4.485,340 3.728,341 7.292,342 4.293,343 3.374,344 3.97,345 1.571,346 12.402,347 3.104,348 4.325,349 3.635,350 6.238,351 3.938,352 2.96,353 3.853,354 1.26,355 9.347,356 2.911,357 3.907,358 3.163,359 5.89,360 3.564,361 2.601,362 3.253,363 0.86,364 8.101,365 2.486,366 3.802,367 2.822,368 5.368,369 3.41,370 2.449,371 3.165,372 0.86,373 7.018,374 2.332,375 3.055,376 2.197,377 4.827,378 2.687,379 1.732,380 2.187,381 0.699,382 5.002,383 1.645,384 2.919,385 1.989,386 4.405,387 2.523,388 1.612,389 2.058,390 0.245,391 4.201,392 1.461,393 2.855,394 1.923,395 4.154,396 2.421,397 1.422,398 1.909,400 3.692,401 1.409,402 2.593,403 1.517,404 3.414,405 2.05,406 1.065,407 1.5,409 2.275,410 1.047,411 2.5,412 1.306,413 3.403,414 2,415 1,416 1.426,418 1.793,419 1,420 1.894,421 1.051,422 3.108,423 1.592,424 0.698,425 0.81,427 1.359,428 0.617,429 1.774,430 1,431 2.963,432 1.4,433 0.477,434 0.575,436 0.972,437 0.43,438 1.451,439 0.934,440 2.655,441 1.176,442 0.316,443 0.35,445 0.427,446 0.269,447 0.972,448 0.228,449 2.51,450 0.567,451 -0.386,452 -0.474,454 -0.751,455 -0.36,456 0.825,457 0.003,458 2.316,459 0.434,460 -0.516,461 -0.653,463 -0.875,464 -0.479,465 0.807,466 -0.305,467 2.091,468 0.412,469 -0.552,470 -0.712,472 -1.08,473 -0.524,474 12.233,475 0.471,476 0.679,477 0.026,478 32.25,479 1.24,480 16,481 0.615,482 16.25,483 0.625,484 20.091,485 0.773,486 29.467,487 0.567,488 26.464,489 1.018,490 7.085,491 0.273,492 5.321,493 0.205,494 0.232,495 0.033,496 0.245,501 0.835,502 1.513,503 0.86,504 1.318,505 0.712,506 1.124,507 1.403,508 0.833,509 0.923,510 0.742,511 0.818,512 0.729,513 0.966,514 1.237,515 1.081,516 1.209,517 0.964,518 1.168,519 0.898,520 1.11,521 1.031,522 1.14,523 0.925,524 1.11,525 0.818,526 1.003,527 1.007,528 1.064,529 0.933,530 1.073,531 0.701,532 0.89,533 0.77,534 0.903,535 0.939,536 0.86,537 1.685,538 0.787,539 1.163,540 0.787,541 1.922,542 0.872,543 1.082,544 1.087,545 1.08,546 1.101,547 1.248,548 1.098,549 6.5,550 0.136,551 4,552 1.688,553 1.276,554 1.083,555 0.406,556 0.236,557 0.279,558 0.213,559 7871,560 19783,561 1.922,562 50,564 26,572 1.685,573 1.763,574 3.57,575 -0.798,576 1,577 1,582 73.973,583 1.423,584 3.193,585 4.327,586 4.666,587 4.758,588 4.796,589 3.061,590 4.239,591 4.672,592 3.74,593 1215.6,594 8.063,595 15948.9,597 1,599 1,600 296.423,601 1.657,602 4.597,603 0.241,604 0.007,605 0.108,606 0.042,607 0.036,608 0.039,609 0.016,610 0.011,611 0.014,612 0.01,613 0.524,614 0.5,615 1,616 1.39,617 130.145,618 0.002,619 -0.302,620 0.064,621 -0.184,622 -0.068,623 -0.072,624 -0.185,625 0.283,626 0.09,627 0.249,628 -0.037,629 0.229,630 0.086,631 -0.135,632 -0.114,633 -0.151,634 0.072,635 -0.163,636 -0.053,637 -0.102,638 -0.077,639 -0.13,640 -0.031,641 -0.108,642 0.067,643 -0.066,644 -0.041,645 -0.081,646 0.014,647 -0.082,648 0.217,649 0.011,650 0.214,651 0.049,652 0.191,653 0.119,654 -0.154,655 0.172,656 -0.102,657 0.157,658 -0.218,659 0.054,660 -0.042,661 -0.089,662 -0.1,663 -0.096,664 -0.106,665 -0.11,666 1.794,667 5.362,668 0.462,669 26.178,670 0.999,671 1.125,672 -1.018,673 1.036,674 0.641,675 3.332,676 3.638,677 3.85,678 3.97,679 4.111,680 4.143,681 4.111,682 3.97,683 4.06,684 4.06,685 7.152,686 0.605,687 356.48,688 3.332,689 4.86,690 5.687,691 6.55,692 7.394,693 8.26,694 9.109,695 9.975,696 10.825,697 11.691,698 1.9,712 1,715 7,720 5,722 12,727 1,739 3,741 52,743 14,744 2,745 27,747 53,748 21,749 12,750 5,751 7,752 1,756 2,757 2,772 15,773 6,777 2,778 1,782 1,784 1,786 1,789 1,790 1,793 26,794 4,796 5,802 1,803 1,807 1,808 1,809 4,829 2,848 1,849 1,859 2,864 4,868 26,876 2,878 3,883 1,893 7.7,896 1,898 3,901 14.75,902 10.583,903 6.014,904 2.854,907 2.21,908 1.329,909 0.901,910 6.836,911 8.935,912 3.584,913 4.111,914 4.62,915 5.07,916 5.557,917 5.678,918 5.795,919 5.659,920 5.931,921 6.109,922 1,923 40,924 9.578,926 3.825,927 0.026,929 7.769,931 18.141,933 13.881,936 2.269,937 59,940 1,941 306.049,942 163.64,945 58.145,948 163.64,949 364.193,951 38.559,952 22.465,953 75.81,954 30.278,955 54.672,957 306.049,959 306.049,960 163.64,961 58.145,964 306.049,965 58.145,968 6.698,969 147.466,970 9.476,972 306.049,973 58.145,974 163.64,977 306.049,978 33.504,979 114.369,981 73.912,982 306.049,983 58.145,984 163.64,986 0.573,987 0.344,988 0.171,989 0.084,990 15,991 8,992 0.17,993 9,995 1,996 3.721,997 198.71,999 12,1000 116.211,1005 20.019,1006 8.878,1007 5.105,1009 58.145,1010 12.814,1015 3.415,1018 527.833,1019 35,1020 3.795,1024 12.362,1026 1.895,1028 -0.127,1031 51.956,1032 58.526,1034 0.25,1035 0.56,1036 0.759,1037 0.819,1038 0.835,1039 0.841,1040 4.812,1041 1.065,1042 5.707,1043 3.692,1044 4.317,1045 4.796,1046 2.512,1047 6.544,1048 4.219,1049 6.022,1050 1,1051 7.303,1052 2.275,1053 4.111,1054 4.649,1055 0.931,1056 7.796,1057 3.942,1058 7.339,1059 0.698,1060 9.016,1061 1.793,1062 5.999,1063 6.938,1064 2.926,1065 10.767,1066 5.795,1067 8.694,1068 0.477,1069 10.8,1070 1.359,1071 6.608,1072 7.554,1073 1.381,1074 12.829,1075 6.313,1076 10.081,1077 0.316,1078 12.631,1079 0.972,1080 8.019,1081 9.361,1082 3.611,1083 15.432,1084 7.691,1085 11.489,1086 -0.386,1087 14.494,1088 0.427,1089 8.964,1090 10.316,1091 1.783,1092 17.78,1093 8.539,1094 12.913,1095 -0.516,1096 16.381,1097 -0.751,1098 10.215,1099 11.916,1100 4.417,1101 20.301,1102 9.744,1103 3.374,1104 -0.552,1105 18.287,1106 -0.875,1107 11.301,1108 13.045,1109 2.192,1110 22.752,1111 10.734,1112 2.96,1113 12.402,1114 20.206,1115 -1.08,1116 12.503,1117 14.54,1118 5.272,1119 25.259,1120 11.875,1121 2.601,1122 9.347,1123 22.138,1124 3.97,1125 13.649,1126 15.765,1127 2.615,1128 27.748,1129 12.93,1130 2.449,1131 8.101,1132 24.079,1133 3.853,1134 14.84,1135 17.204,1136 6.15,1137 30.256,1138 14.048,1139 1.732,1140 7.018,1141 26.027,1142 3.253,1143 16.014,1144 18.485,1145 3.05,1146 32.761,1147 15.133,1148 1.612,1149 5.002,1150 27.982,1151 3.165,1152 17.207,1153 19.893,1154 7.038,1155 35.273,1156 16.245,1157 1.422,1158 4.201,1159 29.942,1160 2.187,1161 18.396,1162 21.209,1163 3.495,1164 37.784,1165 17.345,1166 8053,1167 12949,1168 16.989,1169 33.341,1170 40.012,1171 41.179,1172 41.829,1173 39.351,1174 39.412,1175 50.113,1176 10.99,1177 113.182,1178 37.422,1179 5.359,1180 5.728,1181 7.009,1182 5.351,1183 5.374,1184 6.97,1185 3.141,1186 19.547,1187 5.104,1188 16.457,1189 1.482,1190 1.525,1191 1.549,1192 1.457,1193 1.46,1194 1.856,1195 0.407,1196 4.192,1197 1.386,1198 4.008,1199 4.048,1200 3.948,1201 3.896,1202 7.427,1203 3.904,1204 3.929,1205 3.946,1206 3.879,1207 3.837,1208 4.928,1209 3.843,1210 3.673,1211 3.723,1212 3.565,1213 3.515,1214 4.849,1215 3.515,1216 3.463,1217 3.484,1218 3.382,1219 3.256,1220 4.706,1221 3.283,1222 3.334,1223 3.41,1224 3.16,1225 3.151,1226 4.496,1227 3.144,1228 3.247,1229 3.314,1230 3.051,1231 2.954,1232 4.366,1233 2.962,1234 3.173,1235 3.245,1236 2.976,1237 2.909,1238 4.257,1239 2.911,1240 2.874,1241 3.009,1242 2.688,1243 2.735,1244 4.046,1245 2.715,1246 0.166,1247 0.138,1248 0.27,1249 0.159,1250 0.125,1251 4.485,1252 0.147,1253 3.728,1254 0.058,1255 7.292,1256 0.459,1257 4.293,1258 0.115,1259 3.374,1260 3.97,1261 1.571,1262 12.402,1263 3.104,1264 1.942,1265 1.911,1266 2.07,1267 2.097,1268 1.272,1269 2.093,1270 1.894,1271 1.878,1272 1.983,1273 2.007,1274 1.099,1275 1.997,1276 1.648,1277 1.591,1278 1.85,1279 1.825,1280 0.944,1281 1.833,1282 1.384,1283 1.354,1284 1.66,1285 1.626,1286 0.702,1287 1.622,1288 1.33,1289 1.257,1290 1.599,1291 1.555,1292 0.637,1293 1.584,1294 1.192,1295 1.116,1296 1.576,1297 1.523,1298 0.574,1299 1.539,1300 1.142,1301 1.063,1302 1.486,1303 1.423,1304 0.561,1305 1.449,1306 0.934,1307 0.821,1308 1.417,1309 1.239,1310 0.469,1311 1.308,1312 4.007,1314 5.313,1316 6.823,1318 8.419,1320 10.055,1322 7.313,1328 0.789,1330 16.04,1335 0.703,1340 31.466,1341 73.973,1342 166.042,1343 224.997,1344 242.648,1345 247.403,1346 249.403,1347 57.608,1348 6.725,1349 44.76,1350 44.76,1351 12,1352 12.24,1353 3.907,1354 3.17,1355 55.445,1356 114,1357 106,1358 0.241,1359 198.247,1360 351.7,1361 475.482,1362 6866,1364 19.156,1365 0.737,1366 0.611,1367 19.156,1368 15.873,1369 12.407,1370 0.46,1371 0.315,1372 8.32,1373 11.768,1374 7.959,1375 6.751,1376 12.407,1377 8.505,1378 10.921,1379 0.295,1380 0.181,1381 10.921,1382 6.683,1383 8.91,1384 0.194,1385 0.095,1386 8.91,1387 4.366,1388 6.733,1389 0.129,1390 0.052,1391 6.733,1392 2.723,1393 4.816,1394 0.08,1395 0.026,1396 4.816,1397 1.537,1398 0.39,1399 78.977,1400 0.243,1401 25.597,1402 0.63,1403 128,1404 393.275,1405 141.846,1406 366.934,1407 491.08,1408 344,1409 147,1410 347.435,1411 162.512,1412 354.55,1413 507.99,1414 327,1415 5}
{0 CHEMBL58521,1 1.253,2 3.75,3 1.57,4 2.464,5 35.8,6 6.304,7 0.75,8 2.887,9 3.038,10 2.298,11 2.465,12 3.995,13 2.398,14 3.3,15 3.5,16 2.522,17 2.759,18 4.295,19 2.654,20 3.438,21 3.658,22 2.325,23 2.749,24 4.436,25 2.589,26 3.436,27 3.767,28 1.567,29 2.392,30 4.143,31 2.105,32 2.863,33 3.251,34 0.983,35 1.662,36 3.379,37 1.363,38 1.818,39 2.091,40 0.38,41 0.906,42 2.833,43 0.754,44 1.844,45 2.277,46 0.042,47 0.626,48 1.946,49 0.348,56 0.026,57 0.232,58 3.916,59 1.539,60 5.385,61 2.258,62 0.027,63 0.33,64 5.915,65 2.513,66 6.014,67 3.627,68 0.042,69 0.366,70 6.881,71 2.674,72 10.552,73 3.964,74 0.047,75 0.305,76 6.779,77 2.524,78 10.611,79 3.812,80 0.024,81 0.15,82 3.684,83 1.351,84 5.045,85 2.063,86 0.022,87 0.06,88 1.267,89 0.209,90 4.532,91 0.43,92 0.008,93 0.039,94 1.166,95 0.435,96 1.809,97 0.663,104 5,105 10,106 0.29,107 0.636,108 0.69,109 0.745,110 0.745,111 0.745,112 2.262,113 0.979,114 -3.09,115 -3.09,116 -2.97,121 41.2,122 1,144 4,145 1,146 1,165 1,166 1,167 1,176 5,185 2,187 6,189 2,197 2,200 4,203 2,211 1,216 1,224 1,229 1,281 12,282 5.138,283 5.138,284 5.138,285 5.138,286 5.138,287 4.309,288 5.588,289 3.145,290 5.158,291 3.933,292 3.933,293 3.933,294 3.933,295 3.933,296 2.809,297 3.971,298 1.52,299 3.972,300 2.834,301 1.339,302 1.103,303 0.868,304 0.868,305 0.868,306 2.805,312 1,313 58,314 1,318 22.133,325 0.75,326 2.936,329 1,330 0.67,331 0.83,332 0.5,333 0.5,334 1,335 1,336 0.79,337 16.5,338 30,339 3.978,340 2.686,341 5.236,342 3.553,343 2.562,344 3.589,346 6.623,347 2.538,348 3.351,349 2.201,350 4.732,351 2.984,352 2,353 2.637,355 5.275,356 1.965,357 2.5,358 1,359 3.414,360 2,361 1,362 1.5,364 2.275,365 1,366 1.269,367 0.287,368 2,369 0.976,375 0.5,376 -0.667,377 2,379 -1,380 -1.137,382 -2.275,383 -0.965,384 0.149,385 -1,386 1.268,387 -0.033,388 -1,389 -1.5,391 -3,392 -1,393 -0.248,394 -1.427,395 0.764,396 -0.578,397 -1.562,398 -2.089,400 -3.623,401 -1.538,402 -0.5,403 -2,404 0.586,405 -1,406 -2,407 -3,409 -5.275,410 -2,474 3.9,475 0.488,476 0.212,477 0.027,478 10.75,479 1.344,480 6.5,481 0.813,482 4.25,483 0.531,484 3.475,485 0.434,486 8.7,487 0.512,488 4.919,489 0.615,490 2.263,491 0.283,492 1.525,493 0.191,494 0.231,496 0.256,501 1.408,502 0.95,503 1.037,504 0.917,505 1.494,506 0.945,507 0.584,508 1.09,509 0.868,510 1.033,511 0.499,512 0.982,513 1.144,514 1.361,515 1.323,516 1.379,517 1.157,518 1.366,519 0.906,520 0.994,521 1.056,522 1.058,523 1.013,524 1.066,525 0.391,526 0.673,527 0.502,528 0.605,529 0.283,530 0.569,531 4.956,532 0.863,533 2.221,534 1.002,535 4.752,536 1.345,549 2,551 0.889,552 0.25,553 0.302,559 222,560 515,561 1.861,562 52.9,563 3,564 4,567 2,572 1.3,573 1.714,574 2.117,575 0.728,582 21.306,583 1.253,584 2.749,585 2.984,586 3.22,587 3.22,588 3.22,589 1.5,590 0.811,591 2.981,592 1.991,593 55.735,594 4.649,595 288.266,600 69.487,601 1.5,602 2.906,603 0.25,605 0.089,606 0.036,607 0.151,613 0.526,614 1,615 1,616 0.875,617 21.826,618 -0.244,619 0.236,620 -0.039,621 0.134,622 -0.355,623 0.074,624 0.086,625 -0.062,626 0.079,627 0.011,628 0.185,629 0.039,630 -0.186,631 -0.349,632 -0.385,633 -0.411,634 -0.184,635 -0.412,636 -0.059,637 -0.172,638 -0.15,639 -0.179,640 -0.147,641 -0.172,642 0.317,643 0.028,644 0.401,645 0.244,646 0.426,647 0.314,648 -1.521,649 0.328,650 -1.152,651 -0.379,652 -1.578,653 -0.676,654 0.477,655 0.557,656 0.883,657 0.816,658 0.525,659 0.868,666 0.837,667 1.427,668 0.75,669 2.25,670 0.979,671 1.127,672 1.859,673 3.456,674 0.65,675 2.197,676 2.398,677 2.398,678 2.398,679 2.565,680 1.609,685 2.449,686 0.596,687 107.17,688 2.197,689 3.611,690 4.344,691 5.13,692 5.889,693 6.671,694 7.439,695 8.217,696 8.989,697 9.766,698 5.9,702 1,715 4,720 2,722 6,733 1,741 17,743 6,744 1,745 8,747 17,748 7,749 6,750 2,751 4,756 1,757 1,763 1,772 6,773 1,793 9,794 1,795 2,796 1,802 1,808 1,829 1,859 1,864 1,868 8,869 1,901 4.667,902 3.167,903 1.833,904 0.889,907 1.23,908 1.297,909 0.947,910 1.31,911 5.373,912 2.485,913 3.02,914 3.409,915 3.804,916 4.298,917 3.446,922 0.667,923 7,924 2.915,925 0.063,926 1.102,927 0.084,929 7.667,931 5.585,932 0.023,933 4.126,934 0.043,935 0.004,936 2.167,937 17.333,938 0.052,941 82.398,942 52.673,943 32.897,948 52.673,949 82.398,950 32.897,951 8.825,953 70.802,955 5.942,957 82.398,959 82.398,960 85.57,964 82.398,968 8.825,969 76.744,972 82.398,973 32.897,974 52.673,977 82.398,978 5.942,979 46.73,981 32.897,982 82.398,983 32.897,984 52.673,986 0.567,987 0.288,988 0.122,989 0.08,990 5,991 2,995 1,996 1.924,997 33.373,999 6,1000 20,1005 5.321,1006 1.969,1007 1.332,1009 32.897,1010 7.787,1015 2.079,1017 32.897,1018 167.967,1019 11,1031 16.636,1032 19.159,1034 0.307,1035 0.673,1036 0.73,1037 0.788,1038 0.788,1039 0.788,1040 3.597,1041 -2,1042 4.29,1043 -3.623,1044 3.045,1045 3.689,1047 4.89,1048 3.025,1049 4.781,1051 5.733,1052 -5.275,1053 2.565,1054 3.332,1056 5.38,1057 2.518,1058 6.039,1060 7.262,1062 4.443,1063 5.791,1065 8.238,1066 4.405,1067 7.327,1069 8.831,1071 4.615,1072 6.086,1074 9.383,1075 4.545,1076 8.636,1078 10.421,1080 6.061,1081 8.106,1083 11.781,1084 6.007,1085 9.959,1087 12.024,1089 6.553,1090 8.733,1092 13.216,1093 6.467,1094 11.292,1096 13.636,1098 7.785,1099 10.515,1101 15.413,1102 7.713,1103 2.562,1105 15.253,1107 8.454,1108 11.346,1110 17.01,1111 8.355,1112 2,1113 6.623,1114 16.876,1116 9.568,1117 12.976,1119 19.095,1120 9.478,1121 1,1122 5.275,1123 18.502,1124 3.589,1125 10.342,1126 13.944,1128 20.795,1129 10.23,1131 2.275,1132 20.131,1133 2.637,1134 11.388,1135 15.469,1137 22.811,1138 11.279,1139 -1,1141 21.763,1142 1.5,1143 12.226,1144 16.531,1146 24.578,1147 12.099,1148 -1,1149 -2.275,1150 23.397,1152 13.23,1153 17.983,1155 26.548,1156 13.103,1157 -1.562,1158 -3,1159 25.033,1160 -1.137,1161 14.109,1162 19.11,1164 28.359,1165 13.966,1166 274,1167 442,1168 4.97,1169 11.051,1170 11.408,1171 11.268,1172 11.765,1173 11.147,1174 11.123,1175 15.454,1177 28.347,1178 11.006,1179 4.478,1180 4.686,1181 4.65,1182 4.553,1183 4.562,1184 6.589,1186 11.898,1187 4.538,1188 3.627,1189 1.426,1190 1.409,1191 1.471,1192 1.393,1193 1.39,1194 1.932,1196 3.543,1197 1.376,1198 3.917,1199 3.953,1200 3.846,1201 3.852,1202 5.113,1203 3.846,1204 3.24,1205 3.332,1206 3.07,1207 3.061,1208 4.526,1209 3.051,1210 2.854,1211 2.925,1212 2.687,1213 2.735,1214 3.714,1215 2.715,1216 2.756,1217 2.905,1218 2.446,1219 2.418,1220 3.674,1221 2.405,1222 2.198,1223 2.328,1224 1.88,1225 1.871,1226 2.922,1227 1.856,1228 1.602,1229 1.802,1230 1.039,1231 1.217,1232 1.992,1233 1.144,1234 0.959,1235 1.207,1236 0.39,1237 0.57,1238 1.215,1239 0.496,1240 0.956,1241 1.207,1242 0.308,1243 0.531,1244 1.169,1245 0.442,1246 0.497,1247 0.336,1248 0.655,1249 0.444,1250 0.32,1251 3.978,1252 0.449,1253 2.686,1255 5.236,1256 0.828,1257 3.553,1258 0.317,1259 2.562,1260 3.589,1262 6.623,1263 2.538,1264 1.91,1265 1.879,1266 2.038,1267 2.003,1268 1.117,1269 2.017,1270 1.239,1271 1.158,1272 1.558,1273 1.485,1274 0.593,1275 1.514,1276 0.886,1277 0.821,1278 1.181,1279 1.123,1280 0.218,1281 1.151,1282 0.725,1283 0.586,1284 1.147,1285 1.062,1287 1.107,1288 0.218,1289 0.073,1290 0.687,1291 0.537,1293 0.596,1296 0.381,1297 0.133,1299 0.23,1312 2.833,1314 4.043,1316 5.451,1318 6.94,1320 8.463,1322 2.041,1326 5.427,1340 10.129,1341 21.306,1342 46.732,1343 50.732,1344 54.732,1345 54.732,1346 54.732,1347 5.596,1348 4.143,1349 26.02,1350 26.02,1351 6,1352 10.383,1353 2.807,1354 2,1355 12.023,1356 14,1357 6,1358 0.597,1359 68.536,1360 109.48,1361 158.987,1362 182,1364 5.983,1365 0.748,1366 0.611,1367 5.983,1368 4.887,1369 3.788,1370 0.473,1371 0.326,1372 2.6,1373 3.751,1374 2.463,1375 2.125,1376 3.788,1377 2.61,1378 3.365,1379 0.337,1380 0.191,1381 3.365,1382 1.911,1383 2.305,1384 0.23,1385 0.108,1386 2.305,1387 1.077,1388 1.427,1389 0.143,1390 0.057,1391 1.427,1392 0.566,1393 1.305,1394 0.109,1395 0.035,1396 1.305,1397 0.415,1398 0.823,1399 23.015,1400 0.449,1401 7.663,1402 1.848,1403 36,1404 79.312,1405 37.027,1406 84.746,1407 114.38,1408 78,1409 38,1410 82.845,1411 38.833,1412 88.918,1413 121.66,1414 82,1415 5.31}
{0 CHEMBL589390,1 1.266,2 9.458,3 4.006,4 16.045,5 100.408,6 6.52,7 0.593,8 3.967,9 4.103,10 3.448,11 3.541,12 4.905,13 3.486,14 4.545,15 4.757,16 3.814,17 3.96,18 5.381,19 3.886,20 4.762,21 4.972,22 3.861,23 4.14,24 5.58,25 4.025,26 4.931,27 5.194,28 3.746,29 4.165,30 5.627,31 3.998,32 4.854,33 5.125,34 3.672,35 4.078,36 5.532,37 3.91,38 4.792,39 5.053,40 3.614,41 4.032,42 5.505,43 3.869,44 4.773,45 5.055,46 3.513,47 3.962,48 5.485,49 3.782,50 4.687,51 4.983,52 3.304,53 3.808,54 5.401,55 3.607,56 0.055,57 0.716,58 11.493,59 4.656,60 8.461,61 6.742,62 0.16,63 1.211,64 21.219,65 7.601,66 15.254,67 11.385,68 0.179,69 1.471,70 26.249,71 9.965,72 20.221,73 14.701,74 0.225,75 1.62,76 31.312,77 12.241,78 22.354,79 17.971,80 0.196,81 1.479,82 28.914,83 11.525,84 19.661,85 16.858,86 0.183,87 1.411,88 27.223,89 10.467,90 18.942,91 15.458,92 0.165,93 1.342,94 26.717,95 10.504,96 20.968,97 15.466,98 0.159,99 1.208,100 24.625,101 9.435,102 22.897,103 14.01,104 10,105 39,106 0.214,107 0.541,108 0.771,109 0.86,110 0.867,111 0.867,112 3.229,113 0.98,114 -4.11,115 -4.05,116 -3.83,121 42.9,122 2,123 2,126 1,127 3,144 5,145 4,147 1,148 1,154 2,176 9,180 10,187 11,192 6,200 9,205 1,206 3,214 9,218 1,219 4,227 9,232 3,239 8,244 6,251 8,256 3,264 4,268 1,269 2,277 6,281 826,282 16.24,283 16.24,284 16.24,285 16.24,286 16.24,287 14.261,288 18.453,289 9.434,290 16.51,291 13.335,292 13.335,293 13.335,294 13.335,295 13.335,296 10.301,297 16.535,298 4.528,299 13.773,300 4.349,301 2.42,302 1.059,303 0.536,304 0.495,305 0.495,306 3.928,310 1,311 1,312 1,313 500,314 2.55,317 39.049,318 162.631,321 145.814,325 1.292,326 8.196,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 49.5,338 227,339 4.769,340 3.502,341 7.054,342 4.327,343 3.358,344 4.731,345 0.916,346 12.178,347 3.257,348 4.013,349 2.817,350 5.76,351 3.602,352 2.622,353 3.615,354 0.172,355 7.651,356 2.571,357 3.833,358 2.753,359 5.745,360 3.475,361 2.501,362 3.312,364 7.598,365 2.445,366 3.6,367 2.574,368 5.405,369 3.296,370 2.352,371 2.918,373 7.102,374 2.213,375 3.412,376 2.367,377 4.94,378 3.075,379 2.099,380 2.7,382 5.698,383 2.045,384 3.273,385 2.153,386 4.913,387 2.916,388 1.944,389 2.535,391 5.589,392 1.891,393 3.107,394 2.083,395 4.885,396 2.821,397 1.857,398 2.173,400 5.571,401 1.779,402 2.5,403 1.401,404 3.888,405 2.131,406 1.154,407 1.5,409 2.931,410 1.126,411 2.452,412 1.132,413 3.823,414 1.992,415 1,416 1.437,418 2.652,419 0.991,420 2.151,421 1,422 3.414,423 1.959,424 1,425 1.128,427 2.275,428 0.956,429 1.752,430 0.703,431 3.153,432 1.527,433 0.55,434 0.641,436 1.302,437 0.537,438 1.162,439 0.167,440 2.655,441 0.856,442 -0.113,443 -0.133,445 -0.256,446 -0.109,447 1.042,448 0.096,449 2.559,450 0.795,451 -0.178,452 -0.206,454 -0.425,455 -0.172,456 0.751,457 -0.24,458 2.369,459 0.455,460 -0.521,461 -0.598,463 -1.252,464 -0.507,465 0.639,466 -0.331,467 2.324,468 0.377,469 -0.597,470 -0.714,472 -1.769,473 -0.579,474 11.7,475 0.488,476 0.644,477 0.027,478 29.5,479 1.229,480 14,481 0.583,482 15.5,483 0.646,484 21.572,485 0.899,486 25.5,487 0.52,488 18.988,489 0.791,490 5.688,491 0.237,492 5.926,493 0.247,494 0.128,496 0.368,501 0.94,502 1.393,503 0.904,504 1.129,505 0.932,506 1.034,507 1.504,508 0.989,509 0.897,510 0.81,511 0.794,512 0.809,513 1.361,514 1.168,515 1.162,516 1.122,517 1.218,518 1.126,519 0.968,520 1.036,521 1.077,522 1.081,523 1.012,524 1.086,525 0.764,526 0.998,527 0.968,528 1.026,529 0.765,530 1.015,531 1.13,532 1.039,533 1.098,534 1.063,535 0.879,536 1.076,537 0.864,538 0.995,539 0.977,540 1.01,541 0.87,542 1.003,543 0.92,544 1.02,545 0.998,546 1.025,547 1.213,548 1.018,549 5,550 0.066,551 2.889,552 1.986,553 1.204,554 0.963,555 0.574,556 0.248,557 0.231,558 0.23,559 6271,560 11895,561 2.135,562 51,563 3,564 14,566 1,568 5,569 2,572 1.672,573 2,574 3.198,575 -0.864,577 1,582 62.031,583 1.266,584 3.195,585 4.556,586 5.079,587 5.12,588 5.12,589 2.615,590 3.72,591 4.553,592 3.335,593 920.514,594 7.875,595 10529.5,597 1,599 1,600 275.121,601 1.406,602 4.518,603 0.185,604 0.007,605 0.074,606 0.051,607 0.036,608 0.031,609 0.02,610 0.01,611 0.012,612 0.014,613 0.44,614 0.83,615 1,616 0.566,617 112.587,618 0.113,619 -0.217,620 0.088,621 -0.063,622 0.04,623 -0.002,624 -0.091,625 0.138,626 0.12,627 0.174,628 0.145,629 0.165,630 -0.179,631 -0.074,632 -0.168,633 -0.121,634 -0.207,635 -0.14,636 -0.014,637 -0.047,638 -0.101,639 -0.095,640 -0.144,641 -0.103,642 0.086,643 -0.035,644 0.002,645 -0.034,646 0.045,647 -0.024,648 -0.126,649 -0.042,650 -0.119,651 -0.081,652 -0.037,653 -0.096,654 -0.009,655 -0.047,656 -0.008,657 -0.026,658 0.084,659 -0.018,660 -0.008,661 -0.089,662 -0.025,663 -0.059,664 -0.053,665 -0.046,666 0.582,667 1.434,668 0.792,669 19.75,670 0.98,671 1.124,672 2.875,673 8.267,674 0.661,675 3.332,676 3.689,677 3.989,678 4.317,679 4.635,680 4.745,681 4.898,682 5.03,683 5.056,684 5.081,685 5.55,686 0.609,687 319.49,688 3.332,689 4.89,690 5.759,691 6.661,692 7.556,693 8.468,694 9.377,695 10.295,696 11.212,697 12.135,698 6.1,701 1,706 1,708 1,714 2,715 6,716 1,720 5,721 1,722 16,741 49,743 16,744 1,745 27,747 52,748 21,749 13,750 3,751 3,756 4,757 7,763 2,767 1,770 2,772 13,773 8,790 1,793 25,794 2,796 3,802 3,808 0.5,822 1,824 1,828 1,829 3,832 2,855 1,859 2,864 3,868 24,876 5,881 1,901 12,902 9.85,903 5.139,904 3.085,907 3.055,908 1.406,909 1.017,910 3.993,911 10.581,912 3.584,913 4.245,914 4.876,915 5.524,916 6.107,917 6.41,918 6.796,919 7.184,920 7.336,921 7.587,922 1,923 39,924 8.889,926 3.729,927 0.026,929 7.34,931 17.86,933 15.143,936 1.84,937 44.167,938 0.001,940 1,941 294.278,942 113.649,943 21.809,948 113.649,949 294.278,950 21.809,951 26.047,952 11.386,953 47.381,954 28.557,955 28.957,956 4.901,957 282.506,959 294.278,960 135.458,964 270.735,965 23.542,968 45.864,969 72.808,970 16.786,972 294.278,973 21.809,974 113.649,977 294.278,978 31.173,979 87.499,981 16.786,982 294.278,983 21.809,984 113.649,986 0.59,987 0.34,988 0.188,989 0.119,990 21,991 9,992 0.058,993 3,994 2,995 1.211,996 3.607,997 205.544,998 0.211,999 19,1000 110.039,1005 15.56,1006 6.158,1007 2.935,1008 2.833,1009 19.91,1010 13.232,1011 4.434,1015 6.814,1016 2.553,1018 429.735,1019 35,1031 48.025,1032 55.062,1034 0.225,1035 0.569,1036 0.811,1037 0.905,1038 0.912,1039 0.912,1040 4.836,1041 1.154,1042 5.759,1043 5.571,1044 4.369,1045 4.931,1046 0.918,1047 6.603,1048 4.309,1049 6.061,1050 1,1051 7.334,1052 2.931,1053 4.007,1054 4.856,1055 0.325,1056 7.564,1057 3.911,1058 7.388,1059 1,1060 9.008,1061 2.652,1062 5.989,1063 7.213,1064 0.671,1065 10.71,1066 5.869,1067 8.751,1068 0.55,1069 10.742,1070 2.275,1071 6.431,1072 7.984,1073 0.393,1074 12.574,1075 6.276,1076 10.15,1077 -0.113,1078 12.518,1079 1.302,1080 7.912,1081 9.845,1082 0.533,1083 15.276,1084 7.734,1085 11.575,1086 -0.178,1087 14.325,1088 -0.256,1089 8.753,1090 11.031,1091 0.384,1092 17.536,1093 8.54,1094 13.024,1095 -0.521,1096 16.158,1097 -0.425,1098 10.043,1099 12.696,1100 0.438,1101 20.098,1102 9.804,1103 3.358,1104 -0.597,1105 18.012,1106 -1.252,1107 11.082,1108 14.084,1109 0.351,1110 22.514,1111 10.809,1112 2.622,1113 12.178,1114 19.884,1115 -1.769,1116 12.305,1117 15.674,1118 0.366,1119 25.033,1120 12.005,1121 2.501,1122 7.651,1123 21.77,1124 4.731,1125 13.437,1126 17.155,1127 0.312,1128 27.503,1129 13.104,1130 2.352,1131 7.598,1132 23.67,1133 3.615,1134 14.641,1135 18.718,1136 0.309,1137 30.009,1138 14.279,1139 2.099,1140 7.102,1141 25.579,1142 3.312,1143 15.815,1144 20.239,1145 0.273,1146 32.498,1147 15.42,1148 1.944,1149 5.698,1150 27.497,1151 2.918,1152 17.018,1153 21.794,1154 0.262,1155 34.999,1156 16.592,1157 1.857,1158 5.589,1159 29.422,1160 2.7,1161 18.211,1162 23.333,1163 0.236,1164 37.495,1165 17.754,1166 5960,1167 8292,1168 18.205,1169 32.393,1170 41.206,1171 40.897,1172 42.403,1173 40.897,1174 40.874,1175 53.378,1176 2.178,1177 121.095,1178 39.621,1179 5.716,1180 5.502,1181 6.468,1182 5.365,1183 5.358,1184 7.731,1185 1.605,1186 19.425,1187 5.257,1188 10.907,1189 1.526,1190 1.515,1191 1.57,1192 1.515,1193 1.514,1194 1.977,1195 0.081,1196 4.485,1197 1.467,1198 4.184,1199 4.219,1200 4.147,1201 4.099,1202 4.918,1203 4.106,1204 3.9,1205 3.94,1206 3.837,1207 3.808,1208 4.855,1209 3.809,1210 3.699,1211 3.761,1212 3.59,1213 3.574,1214 4.372,1215 3.571,1216 3.503,1217 3.579,1218 3.372,1219 3.325,1220 4.147,1221 3.324,1222 3.288,1223 3.363,1224 3.131,1225 3.14,1226 3.945,1227 3.129,1228 3.122,1229 3.215,1230 2.92,1231 2.961,1232 3.802,1233 2.942,1234 3.052,1235 3.14,1236 2.859,1237 2.894,1238 3.764,1239 2.874,1240 2.998,1241 3.086,1242 2.759,1243 2.828,1244 3.655,1245 2.798,1246 0.177,1247 0.13,1248 0.261,1249 0.16,1250 0.124,1251 4.769,1252 0.175,1253 3.502,1254 0.034,1255 7.054,1256 0.451,1257 4.327,1258 0.121,1259 3.358,1260 4.731,1261 0.916,1262 12.178,1263 3.257,1264 1.969,1265 1.945,1266 2.069,1267 2.062,1268 1.318,1269 2.064,1270 1.897,1271 1.858,1272 2.032,1273 2.023,1274 1.268,1275 2.031,1276 1.799,1277 1.747,1278 1.956,1279 1.961,1280 1.128,1281 1.963,1282 1.483,1283 1.412,1284 1.739,1285 1.694,1286 0.905,1287 1.712,1288 1.264,1289 1.192,1290 1.569,1291 1.472,1292 0.747,1293 1.51,1294 1.214,1295 1.138,1296 1.536,1297 1.418,1298 0.649,1299 1.463,1300 1.108,1301 1.02,1302 1.449,1303 1.328,1304 0.628,1305 1.376,1306 1.028,1307 0.939,1308 1.373,1309 1.245,1310 0.502,1311 1.294,1312 4.007,1314 5.352,1315 2.398,1316 6.893,1317 4.949,1318 8.526,1319 7.235,1320 10.211,1322 6.45,1328 5.422,1333 2.429,1340 29.859,1341 62.031,1342 156.536,1343 223.246,1344 248.856,1345 250.856,1346 250.856,1347 26.202,1348 7.526,1349 21.06,1350 21.06,1351 23,1352 12.643,1353 4.087,1354 3.17,1355 33.761,1356 77,1357 94,1358 0.213,1359 182.527,1360 304.24,1361 437.126,1362 18260,1364 16.681,1365 0.695,1366 0.618,1367 16.681,1368 14.841,1369 11.614,1370 0.43,1371 0.327,1372 8.745,1373 11.338,1374 8.372,1375 6.98,1376 11.614,1377 8.823,1378 10.859,1379 0.278,1380 0.183,1381 10.859,1382 7.143,1383 9.128,1384 0.172,1385 0.098,1386 9.128,1387 5.197,1388 7.736,1389 0.105,1390 0.052,1391 7.736,1392 3.841,1393 6.979,1394 0.068,1395 0.03,1396 6.979,1397 3.037,1398 0.326,1399 71.374,1400 0.234,1401 23.117,1402 0.609,1403 132,1404 274.935,1405 138.217,1406 278.007,1407 399.03,1408 264,1409 158,1410 307.746,1411 165.494,1412 319.961,1413 468.31,1414 300,1415 4.347}
{0 CHEMBL589536,1 1.543,2 9,3 3.617,4 13.082,5 99.573,6 7.544,7 0.444,8 3.906,9 4.027,10 3.549,11 3.515,12 4.898,13 3.454,14 4.467,15 4.645,16 3.935,17 3.937,18 5.424,19 3.838,20 4.739,21 4.971,22 3.997,23 4.063,24 5.603,25 3.924,26 4.698,27 4.927,28 3.916,29 3.983,30 5.661,31 3.861,32 4.652,33 4.868,34 3.867,35 3.89,36 5.751,37 3.803,38 4.594,39 4.82,40 3.614,41 3.823,42 5.596,43 3.7,44 4.537,45 4.779,46 3.419,47 3.71,48 5.449,49 3.553,50 4.388,51 4.646,52 3.293,53 3.59,54 5.174,55 3.427,56 0.031,57 0.675,58 9.933,59 4.321,60 5.395,61 5.628,62 0.25,63 1.158,64 19.725,65 7.509,66 18.432,67 9.872,68 0.258,69 1.441,70 30.337,71 10.544,72 21.679,73 13.606,74 0.218,75 1.339,76 29.912,77 10.388,78 27.973,79 12.983,80 0.366,81 1.265,82 27.109,83 8.692,84 42.499,85 11.237,86 0.216,87 1.155,88 23.439,89 8.543,90 35.175,91 11.289,92 0.237,93 1.075,94 23.841,95 8.406,96 34.463,97 10.892,98 0.21,99 0.946,100 21.337,101 7.263,102 25.525,103 9.745,104 2,105 37,106 0.267,107 0.546,108 0.658,109 0.765,110 0.781,111 0.781,112 3.229,113 1.034,114 -3.66,115 -3.63,116 -3.45,121 42.2,123 2,127 4,144 8,146 4,161 1,176 7,179 1,180 4,183 2,187 6,192 5,195 1,200 6,206 4,211 2,214 4,218 2,219 5,224 7,227 6,232 2,237 2,239 6,244 6,251 2,256 5,269 2,277 4,281 878,282 16.759,283 16.759,284 16.759,285 16.759,286 16.759,287 15.175,288 20.24,289 10.15,290 17.182,291 13.376,292 13.376,293 13.376,294 13.376,295 13.376,296 10.999,297 23.899,298 4.83,299 14.1,300 3.949,301 2.334,302 1.689,303 1.067,304 0.978,305 0.978,306 3.932,310 1,311 1,312 1,313 481,314 3,317 62.451,318 143.687,322 164.921,325 1.25,326 14.182,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 50.5,338 216,339 4.546,340 4.609,341 6.976,342 4.217,343 3.284,344 4.105,345 2.95,346 11.854,347 3.057,348 3.962,349 3.71,350 5.982,351 3.502,352 2.55,353 3.58,354 1.701,355 8.37,356 2.447,357 3.728,358 3.221,359 5.691,360 3.479,361 2.532,362 2.961,363 0.8,364 7.529,365 2.367,366 3.534,367 2.851,368 5.352,369 3.351,370 2.419,371 2.538,372 0.563,373 6.995,374 2.247,375 3.031,376 2.701,377 4.694,378 2.675,379 1.745,380 2.181,381 0.075,382 4.794,383 1.607,384 2.948,385 1.788,386 4.116,387 2.484,388 1.509,389 2.11,391 3.329,392 1.455,393 2.819,394 1.647,395 3.753,396 2.337,397 1.348,398 1.966,400 3.201,401 1.329,402 2.702,403 1.623,404 3.594,405 2.336,406 1.347,407 1.792,409 2.909,410 1.328,411 2.429,412 1.348,413 3.589,414 2.227,415 1.247,416 1.417,418 2.902,419 1.215,420 1.991,421 1.2,422 3.37,423 1.85,424 0.887,425 0.952,427 1.995,428 0.85,429 1.828,430 0.838,431 3,432 1.591,433 0.618,434 0.621,436 1.372,437 0.6,438 1.618,439 0.744,440 3,441 1.456,442 0.494,443 0.618,445 1.179,446 0.467,447 1.121,448 0.542,449 2.814,450 0.77,451 -0.136,452 -0.154,454 -0.364,455 -0.121,456 0.909,457 0.49,458 2.404,459 0.636,460 -0.352,461 -0.427,463 -0.833,464 -0.34,465 0.891,466 0.218,467 2.329,468 0.491,469 -0.445,470 -0.563,472 -1.091,473 -0.405,474 11.867,475 0.494,476 0.432,477 0.018,478 30.25,479 1.26,480 14.5,481 0.604,482 15.75,483 0.656,484 19.542,485 0.814,486 25.333,487 0.563,488 20.031,489 0.835,490 5.712,491 0.238,492 6.114,493 0.255,494 0.028,496 0.278,501 0.779,502 1.288,503 0.761,504 0.95,505 0.527,506 0.928,507 0.782,508 1.015,509 0.888,510 0.879,511 0.512,512 0.94,513 1.025,514 0.951,515 1,516 0.938,517 0.783,518 0.892,519 1.271,520 1.037,521 1.064,522 1.007,523 1.232,524 0.875,525 1.588,526 0.987,527 0.968,528 0.958,529 1.851,530 0.913,531 1.498,532 1.038,533 0.951,534 0.963,535 1.75,536 1.052,537 1.577,538 1.051,539 1.094,540 1.021,541 1.933,542 1.089,543 1.185,544 0.941,545 1.023,546 0.941,547 1.209,548 0.971,549 3,550 0.035,551 2.222,552 1.66,553 1.525,554 0.58,555 0.366,556 0.193,557 0.155,558 0.06,559 6530,560 14245,561 2.187,562 46.7,564 16,567 1,569 4,572 1.672,573 2.118,574 3.125,575 -0.342,577 1,582 69.429,583 1.543,584 3.158,585 3.803,586 4.425,587 4.514,588 4.514,589 2.47,590 3.918,591 4.554,592 3.319,593 915.907,594 7.877,595 10642.2,597 1,599 1,600 247.133,601 1.099,602 4.546,603 0.111,604 0.002,605 0.06,606 0.045,607 0.042,608 0.017,609 0.014,610 0.009,611 0.008,612 0.003,613 0.312,614 0.5,615 1,616 0.382,617 112.857,618 -0.005,619 -0.157,620 0.082,621 0.005,622 0.004,623 0.018,624 0.182,625 0.106,626 0.047,627 0.074,628 0.089,629 -0.006,630 -0.015,631 0.09,632 0.08,633 0.086,634 0.027,635 0.079,636 -0.045,637 -0.025,638 0.047,639 0.033,640 0.071,641 0.098,642 0.029,643 0.033,645 -0.036,646 0.046,647 0.005,648 -0.17,649 -0.078,650 -0.113,651 -0.088,652 -0.13,653 -0.116,654 -0.218,655 -0.108,656 -0.165,657 -0.098,658 -0.266,659 -0.139,660 -0.145,661 0.011,662 -0.071,663 0.006,664 -0.16,665 0.002,666 1.714,667 5.884,668 0.792,669 19.299,670 0.992,671 1.119,672 2.429,673 5.899,674 0.688,675 3.332,676 3.638,677 3.951,678 4.263,679 4.489,680 4.554,681 4.691,682 4.796,683 4.86,684 4.745,685 5.6,686 0.638,687 339.5,688 3.332,689 4.86,690 5.72,691 6.603,692 7.485,693 8.378,694 9.27,695 10.169,696 11.067,697 11.97,698 6.7,701 1,705 2,715 8,720 4,722 12,741 45,743 13,744 2,745 27,747 48,748 19,749 12,750 4,751 8,756 4,757 7,761 1,767 2,770 2,772 13,773 6,777 1,782 1,786 1,789 1,790 1,793 21,794 4,795 1,796 5,797 1,802 3,808 0.5,809 1,825 1,828 1,829 3,833 2,855 1,859 2,860 1,862 1,868 24,876 6,877 1,879 1,881 2,893 2.2,896 1,901 11.333,902 7.9,903 5.306,904 2.887,907 2.467,908 1.335,909 1.019,910 4.674,911 9.84,912 3.555,913 4.078,914 4.61,915 5.18,916 5.724,917 5.915,918 6.329,919 6.73,920 7.011,921 7.096,922 0.833,923 37,924 8.922,926 3.816,927 0.026,929 7.528,931 17.592,933 14.876,936 2.028,937 48.667,940 1,941 235.422,942 134.412,943 24.259,945 25.145,947 32.22,948 102.193,949 260.567,950 24.259,952 34.627,953 75.81,954 25.145,955 11.739,956 4.276,957 267.642,959 235.422,960 126.452,961 25.145,962 32.22,964 188.338,965 72.229,968 37.751,969 88.701,971 32.22,972 235.422,973 49.404,974 134.412,977 235.422,978 58.602,979 82.059,980 18.011,981 25.145,982 235.422,983 49.404,984 134.412,986 0.571,987 0.342,988 0.201,989 0.107,990 19,991 7,992 0.063,993 3,994 2,995 1.211,996 3.686,997 201.709,998 0.211,999 19,1000 94.039,1001 1,1005 15.854,1006 7.076,1007 3.291,1009 49.404,1010 16.166,1015 4.15,1017 18.011,1018 419.239,1019 34,1024 12.884,1028 -0.047,1031 44.662,1032 50.361,1034 0.281,1035 0.575,1036 0.692,1037 0.806,1038 0.822,1039 0.822,1040 4.787,1041 1.347,1042 5.68,1043 3.201,1044 4.317,1045 4.762,1046 3.211,1047 6.5,1048 4.209,1049 5.944,1050 1.247,1051 7.232,1052 2.909,1053 3.761,1054 4.369,1055 1.404,1056 7.438,1057 3.549,1058 7.225,1059 0.887,1060 8.895,1061 2.902,1062 5.894,1063 6.83,1064 5.101,1065 10.612,1066 5.655,1067 8.544,1068 0.618,1069 10.628,1070 1.995,1071 6.256,1072 7.312,1073 2.498,1074 12.469,1075 5.902,1076 9.902,1077 0.494,1078 12.41,1079 1.372,1080 7.789,1081 9.22,1082 7.206,1083 15.157,1084 7.408,1085 11.287,1086 -0.136,1087 14.224,1088 1.179,1089 8.587,1090 10.127,1091 3.613,1092 17.382,1093 8.097,1094 12.695,1095 -0.352,1096 16.064,1097 -0.364,1098 9.886,1099 11.79,1100 9.354,1101 19.921,1102 9.356,1103 3.284,1104 -0.445,1105 17.921,1106 -0.833,1107 10.891,1108 12.918,1109 4.718,1110 22.295,1111 10.262,1112 2.55,1113 11.854,1114 19.794,1115 -1.091,1116 12.103,1117 14.458,1118 11.513,1119 24.788,1120 11.422,1121 2.532,1122 8.37,1123 21.677,1124 4.105,1125 13.205,1126 15.707,1127 5.808,1128 27.221,1129 12.434,1130 2.419,1131 7.529,1132 23.571,1133 3.58,1134 14.39,1135 17.182,1136 13.676,1137 29.699,1138 13.557,1139 1.745,1140 6.995,1141 25.472,1142 2.961,1143 15.537,1144 18.499,1145 6.887,1146 32.156,1147 14.62,1148 1.509,1149 4.794,1150 27.379,1151 2.538,1152 16.717,1153 19.94,1154 15.839,1155 34.63,1156 15.733,1157 1.348,1158 3.329,1159 29.293,1160 2.181,1161 17.884,1162 21.295,1163 7.96,1164 37.096,1165 16.822,1166 6098,1167 9180,1168 18.781,1169 30.972,1170 40.046,1171 42.697,1172 40.603,1173 40.078,1174 39.961,1175 49.681,1176 12.18,1177 112.859,1178 37.936,1179 5.529,1180 6.609,1181 6.661,1182 5.381,1183 5.284,1184 7.105,1185 5.9,1186 19.386,1187 5.057,1188 5.686,1189 1.483,1190 1.581,1191 1.504,1192 1.484,1193 1.48,1194 1.84,1195 0.451,1196 4.18,1197 1.405,1198 4.027,1199 4.052,1200 4.149,1201 3.987,1202 7.429,1203 3.962,1204 3.856,1205 3.926,1206 3.731,1207 3.707,1208 4.814,1209 3.698,1210 3.758,1211 3.788,1212 3.686,1213 3.687,1214 4.615,1215 3.686,1216 3.548,1217 3.615,1218 3.48,1219 3.318,1220 4.362,1221 3.335,1222 3.224,1223 3.281,1224 3.277,1225 3.041,1226 4.066,1227 3.037,1228 2.965,1229 2.991,1230 3.089,1231 2.969,1232 3.827,1233 2.894,1234 2.869,1235 2.979,1236 2.739,1237 2.674,1238 3.731,1239 2.676,1240 2.866,1241 2.943,1242 2.628,1243 2.671,1244 3.583,1245 2.655,1246 0.168,1247 0.171,1248 0.258,1249 0.156,1250 0.122,1251 4.546,1252 0.152,1253 4.609,1254 0.109,1255 6.976,1256 0.439,1257 4.217,1258 0.113,1259 3.284,1260 4.105,1261 2.95,1262 11.854,1263 3.057,1264 1.977,1265 1.96,1266 2.03,1267 2.056,1268 1.211,1269 2.062,1270 1.772,1271 1.744,1272 1.902,1273 1.876,1274 1.2,1275 1.879,1276 1.632,1277 1.555,1278 1.862,1279 1.849,1280 1.16,1281 1.869,1282 1.577,1283 1.507,1284 1.86,1285 1.751,1286 0.978,1287 1.793,1288 1.32,1289 1.253,1290 1.568,1291 1.61,1292 0.826,1293 1.593,1294 1.091,1295 1.029,1296 1.283,1297 1.321,1298 0.371,1299 1.324,1300 0.955,1301 0.93,1302 1.125,1303 1.048,1304 0.265,1305 1.105,1306 0.817,1307 0.754,1308 1.109,1309 1.009,1310 0.165,1311 1.035,1312 4.007,1314 5.313,1315 2.398,1316 6.83,1317 4.443,1318 8.455,1319 6.26,1320 10.145,1328 6.476,1329 3.097,1331 1.718,1333 4.222,1340 28.707,1341 69.429,1342 142.114,1343 171.133,1344 199.133,1345 203.133,1346 203.133,1347 31.137,1348 7.373,1349 37.27,1350 65.51,1351 23,1352 12.491,1353 3.807,1354 3,1355 33.759,1356 76,1357 86,1358 0.208,1359 178.47,1360 307.84,1361 427.226,1362 16092,1364 16.355,1365 0.681,1366 0.6,1367 16.709,1368 14.389,1369 11.826,1370 0.438,1371 0.345,1372 8.473,1373 11.045,1374 8.252,1375 6.805,1376 12.235,1377 9.307,1378 10.289,1379 0.278,1380 0.196,1381 10.931,1382 7.237,1383 8.934,1384 0.175,1385 0.111,1386 9.743,1387 5.669,1388 7.842,1389 0.112,1390 0.063,1391 8.748,1392 4.388,1393 6.268,1394 0.071,1395 0.034,1396 7.306,1397 2.999,1398 0.32,1399 77.185,1400 0.231,1401 23.257,1402 0.591,1403 128,1404 318.219,1405 162.886,1406 332.39,1407 465.42,1408 314,1409 152,1410 334.407,1411 185.788,1412 353.93,1413 526.24,1414 336,1415 4.532}
{0 CHEMBL589563,1 1.518,2 9.76,3 4.073,4 16.59,5 104.174,6 7.365,7 0.429,8 3.962,9 4.086,10 3.582,11 3.566,12 4.937,13 3.501,14 4.53,15 4.713,16 3.961,17 3.988,18 5.464,19 3.883,20 4.827,21 5.063,22 4.059,23 4.141,24 5.666,25 4.002,26 4.82,27 5.06,28 3.953,29 4.074,30 5.736,31 3.937,32 4.759,33 4.994,34 3.895,35 3.962,36 5.802,37 3.86,38 4.676,39 4.912,40 3.654,41 3.881,42 5.645,43 3.75,44 4.616,45 4.869,46 3.461,47 3.768,48 5.503,49 3.607,50 4.461,51 4.718,52 3.388,53 3.647,54 5.276,55 3.495,56 0.038,57 0.715,58 10.919,59 4.676,60 5.626,61 6.183,62 0.261,63 1.224,64 21.514,65 8.143,66 19.053,67 10.863,68 0.273,69 1.56,70 33.03,71 11.475,72 22.536,73 15.086,74 0.251,75 1.495,76 33.503,77 11.588,78 29.53,79 14.881,80 0.389,81 1.378,82 30.541,83 9.841,84 44.997,85 13.082,86 0.231,87 1.245,88 25.765,89 9.266,90 35.705,91 12.486,92 0.262,93 1.155,94 25.932,95 8.931,96 35.237,97 11.821,98 0.218,99 1.009,100 22.744,101 7.655,102 25.459,103 10.368,104 2,105 38,106 0.259,107 0.534,108 0.656,109 0.776,110 0.79,111 0.79,112 3.267,113 1.051,114 -3.89,115 -3.84,116 -3.65,121 41.7,123 3,127 4,144 8,146 4,161 1,176 8,179 1,180 4,183 2,187 7,192 6,195 1,200 6,206 4,211 2,214 4,218 2,219 5,224 7,227 6,232 2,237 3,239 6,244 6,251 2,256 7,269 2,277 4,281 976,282 17.466,283 17.466,284 17.466,285 17.466,286 17.466,287 15.882,288 20.24,289 10.65,290 17.889,291 13.876,292 13.876,293 13.876,294 13.876,295 13.876,296 11.499,297 23.899,298 5.08,299 14.6,300 4.067,301 2.46,302 1.74,303 1.042,304 0.958,305 0.958,306 3.972,310 1,311 1,312 1,313 542,314 3,318 229.636,322 174.635,325 1.347,326 14.463,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 52.5,338 244,339 4.546,340 4.609,341 6.976,342 4.217,343 3.284,344 4.105,345 2.95,346 11.854,347 3.057,348 3.962,349 3.71,350 5.982,351 3.502,352 2.532,353 3.58,354 1.701,355 8.37,356 2.447,357 3.727,358 3.221,359 5.691,360 3.461,361 2.532,362 2.961,363 0.8,364 7.529,365 2.35,366 3.513,367 2.834,368 5.34,369 3.348,370 2.416,371 2.517,372 0.563,373 6.963,374 2.244,375 3.031,376 2.701,377 4.694,378 2.684,379 1.751,380 2.181,381 0.075,382 4.793,383 1.622,384 2.948,385 1.788,386 4.116,387 2.51,388 1.537,389 2.11,391 3.329,392 1.478,393 2.819,394 1.684,395 3.758,396 2.46,397 1.472,398 1.966,400 3.252,401 1.446,402 2.702,403 1.627,404 3.651,405 2.336,406 1.347,407 1.792,409 3.126,410 1.329,411 2.553,412 1.387,413 3.594,414 2.227,415 1.247,416 1.549,418 2.902,419 1.215,420 2.112,421 1.348,422 3.44,423 1.984,424 1,425 1.08,427 2.231,428 0.983,429 2,430 1.077,431 3.247,432 1.97,433 1,434 1,436 2.136,437 0.964,438 1.855,439 0.839,440 3.089,441 1.47,442 0.51,443 0.645,445 1.232,446 0.482,447 1.122,448 0.557,449 2.834,450 0.854,451 -0.074,452 -0.08,454 -0.184,455 -0.067,456 1,457 0.49,458 2.406,459 0.68,460 -0.28,461 -0.346,463 -0.705,464 -0.265,465 0.909,466 0.311,467 2.404,468 0.491,469 -0.445,470 -0.563,472 -1.091,473 -0.405,474 12.367,475 0.495,476 0.432,477 0.017,478 30.75,479 1.23,480 14.5,481 0.58,482 16.25,483 0.65,484 21.425,485 0.857,486 26.633,487 0.555,488 20.456,489 0.818,490 5.712,491 0.228,492 6.614,493 0.265,494 0.027,496 0.267,501 0.78,502 1.296,503 0.779,504 0.971,505 0.527,506 0.952,507 0.778,508 1.037,509 0.901,510 0.906,511 0.51,512 0.966,513 1.007,514 0.961,515 0.97,516 0.925,517 0.758,518 0.879,519 1.259,520 1.038,521 1.065,522 1.011,523 1.159,524 0.915,525 1.486,526 0.948,527 0.919,528 0.918,529 1.733,530 0.88,531 1.47,532 1.059,533 0.935,534 0.961,535 1.698,536 1.041,537 1.609,538 1.004,539 1.074,540 0.971,541 1.902,542 1.04,543 1.299,544 0.986,545 1.002,546 0.948,547 1.398,548 0.955,549 3,550 0.041,551 2.222,552 1.625,553 1.551,554 0.59,555 0.4,556 0.196,557 0.193,558 0.069,559 7374,560 15591,561 2.179,562 47.9,563 2,564 16,567 1,569 4,572 1.682,573 2.113,574 3.22,575 -0.356,577 1,582 72.843,583 1.518,584 3.125,585 3.845,586 4.543,587 4.627,588 4.627,589 2.587,590 3.894,591 4.614,592 3.403,593 1020.82,594 7.99,595 12289.3,597 1,599 1,600 268.078,601 1.078,602 4.606,603 0.107,604 0.002,605 0.058,606 0.041,607 0.042,608 0.017,609 0.014,610 0.009,611 0.009,612 0.003,613 0.303,614 0.5,615 1,616 0.372,617 119.796,618 0.003,619 -0.151,620 0.083,621 0.005,622 0.012,623 0.018,624 0.188,625 0.086,626 0.045,627 0.059,628 0.095,629 -0.017,630 0.003,631 0.081,632 0.099,633 0.093,634 0.037,635 0.094,636 -0.053,637 -0.029,638 0.021,639 0.01,640 0.076,641 0.055,642 0.065,643 0.052,644 0.048,645 0.004,646 0.078,647 0.052,648 -0.142,649 -0.096,650 -0.088,651 -0.085,652 -0.104,653 -0.102,654 -0.219,655 -0.051,656 -0.14,657 -0.056,658 -0.25,659 -0.095,660 -0.124,661 -0.026,662 -0.046,663 -0.008,664 -0.154,665 0.005,666 1.711,667 5.952,668 0.8,669 20.842,670 0.991,671 1.12,672 2.656,673 7.056,674 0.682,675 3.367,676 3.664,677 3.97,678 4.277,679 4.554,680 4.575,681 4.71,682 4.812,683 4.875,684 4.779,685 5.887,686 0.63,687 353.53,688 3.367,689 4.89,690 5.746,691 6.624,692 7.503,693 8.393,694 9.282,695 10.179,696 11.075,697 11.976,698 6.3,701 1,705 2,715 8,720 4,722 12,741 48,743 13,744 2,745 28,747 51,748 20,749 12,750 4,751 8,756 4,757 7,761 1,767 3,770 3,772 13,773 7,777 1,782 1,786 1,790 1,793 23,794 4,795 1,796 5,797 1,802 3,808 0.5,809 1,829 4,833 2,855 1,859 2,860 1,862 1,868 25,876 7,877 1,879 1,881 2,893 2.1,896 1,901 11.833,902 8.4,903 5.556,904 3.137,907 2.456,908 1.329,909 1.012,910 5.181,911 9.927,912 3.584,913 4.094,914 4.62,915 5.186,916 5.743,917 5.92,918 6.333,919 6.732,920 7.013,921 7.101,922 1,923 40,924 9.302,926 3.96,927 0.026,929 7.507,931 18.408,933 15.543,936 2.007,937 50.167,940 1,941 258.964,942 136.947,943 24.259,945 25.145,947 32.22,948 104.727,949 284.109,950 24.259,952 37.161,953 75.81,954 25.145,955 11.739,956 4.276,957 291.184,959 258.964,960 128.987,961 25.145,962 32.22,964 211.88,965 72.229,968 40.286,969 88.701,971 32.22,972 258.964,973 49.404,974 136.947,977 258.964,978 61.137,979 82.059,980 18.011,981 25.145,982 258.964,983 49.404,984 136.947,986 0.568,987 0.338,988 0.198,989 0.114,990 19,991 7,992 0.059,993 3,994 2,995 1.2,996 3.777,997 211.662,998 0.2,999 20,1000 100.096,1001 1,1005 16.8,1006 7.711,1007 3.651,1009 49.404,1010 16.194,1015 4.156,1017 18.011,1018 445.315,1019 35,1024 12.952,1028 -0.044,1031 47.545,1032 53.776,1034 0.272,1035 0.56,1036 0.688,1037 0.813,1038 0.828,1039 0.828,1040 4.812,1041 1.347,1042 5.7,1043 3.252,1044 4.344,1045 4.779,1046 3.211,1047 6.512,1048 4.238,1049 5.962,1050 1.247,1051 7.246,1052 3.126,1053 3.761,1054 4.369,1055 1.404,1056 7.438,1057 3.549,1058 7.239,1059 1,1060 8.904,1061 2.902,1062 5.911,1063 6.837,1064 5.101,1065 10.614,1066 5.675,1067 8.552,1068 1,1069 10.634,1070 2.231,1071 6.236,1072 7.306,1073 2.498,1074 12.467,1075 5.88,1076 9.906,1077 0.51,1078 12.413,1079 2.136,1080 7.798,1081 9.222,1082 7.206,1083 15.157,1084 7.421,1085 11.288,1086 -0.074,1087 14.226,1088 1.232,1089 8.571,1090 10.124,1091 3.613,1092 17.381,1093 8.079,1094 12.694,1095 -0.28,1096 16.064,1097 -0.184,1098 9.888,1099 11.79,1100 9.354,1101 19.921,1102 9.361,1103 3.284,1104 -0.445,1105 17.921,1106 -0.705,1107 10.881,1108 12.917,1109 4.718,1110 22.295,1111 10.25,1112 2.532,1113 11.854,1114 19.793,1115 -1.091,1116 12.102,1117 14.458,1118 11.513,1119 24.788,1120 11.423,1121 2.532,1122 8.37,1123 21.677,1124 4.105,1125 13.198,1126 15.707,1127 5.808,1128 27.221,1129 12.426,1130 2.416,1131 7.529,1132 23.57,1133 3.58,1134 14.388,1135 17.182,1136 13.676,1137 29.699,1138 13.556,1139 1.751,1140 6.963,1141 25.471,1142 2.961,1143 15.532,1144 18.499,1145 6.887,1146 32.156,1147 14.616,1148 1.537,1149 4.793,1150 27.379,1151 2.517,1152 16.714,1153 19.94,1154 15.839,1155 34.63,1156 15.731,1157 1.472,1158 3.329,1159 29.292,1160 2.181,1161 17.881,1162 21.295,1163 7.96,1164 37.096,1165 16.819,1166 6898,1167 10231,1168 19.474,1169 32.733,1170 41.537,1171 44.245,1172 42.255,1173 41.365,1174 41.255,1175 50.971,1176 12.18,1177 115.434,1178 39.232,1179 5.546,1180 6.609,1181 6.778,1182 5.381,1183 5.284,1184 7.105,1185 5.9,1186 19.386,1187 5.057,1188 5.866,1189 1.483,1190 1.58,1191 1.509,1192 1.477,1193 1.473,1194 1.82,1195 0.435,1196 4.123,1197 1.401,1198 4.027,1199 4.052,1200 4.149,1201 3.987,1202 7.429,1203 3.962,1204 3.857,1205 3.925,1206 3.728,1207 3.707,1208 4.814,1209 3.698,1210 3.758,1211 3.788,1212 3.686,1213 3.697,1214 4.615,1215 3.692,1216 3.565,1217 3.633,1218 3.488,1219 3.343,1220 4.354,1221 3.356,1222 3.263,1223 3.32,1224 3.28,1225 3.054,1226 4.078,1227 3.066,1228 3.111,1229 3.206,1230 3.138,1231 2.982,1232 3.835,1233 2.91,1234 2.982,1235 3.052,1236 2.866,1237 2.941,1238 3.731,1239 2.899,1240 2.929,1241 2.979,1242 2.793,1243 2.731,1244 3.583,1245 2.735,1246 0.162,1247 0.165,1248 0.249,1249 0.151,1250 0.117,1251 4.546,1252 0.147,1253 4.609,1254 0.105,1255 6.976,1256 0.423,1257 4.217,1258 0.109,1259 3.284,1260 4.105,1261 2.95,1262 11.854,1263 3.057,1264 1.977,1265 1.96,1266 2.061,1267 2.06,1268 1.413,1269 2.065,1270 1.832,1271 1.766,1272 2.028,1273 2.02,1274 1.196,1275 2.037,1276 1.772,1277 1.744,1278 1.902,1279 1.849,1280 1.049,1281 1.869,1282 1.513,1283 1.44,1284 1.768,1285 1.758,1286 0.978,1287 1.764,1288 1.179,1289 1.128,1290 1.513,1291 1.447,1292 0.825,1293 1.429,1294 1.153,1295 1.064,1296 1.36,1297 1.376,1298 0.564,1299 1.426,1300 0.967,1301 0.942,1302 1.24,1303 1.194,1304 0.365,1305 1.219,1306 0.924,1307 0.837,1308 1.122,1309 1.047,1310 0.264,1311 1.105,1312 4.043,1314 5.342,1316 6.864,1318 8.493,1320 10.183,1328 7.812,1329 3.118,1331 1.72,1333 4.259,1340 30.234,1341 72.843,1342 150.02,1343 184.568,1344 218.078,1345 222.078,1346 222.078,1347 33.597,1348 7.47,1349 37.27,1350 65.51,1351 24,1352 12.498,1353 3.807,1354 3,1355 35.866,1356 84,1357 100,1358 0.2,1359 188.062,1360 325.14,1361 450.631,1362 18604,1364 17.062,1365 0.682,1366 0.604,1367 17.416,1368 15.096,1369 12.326,1370 0.44,1371 0.35,1372 8.973,1373 11.545,1374 8.742,1375 7.221,1376 12.735,1377 9.807,1378 10.642,1379 0.28,1380 0.2,1381 11.284,1382 7.591,1383 9.184,1384 0.177,1385 0.114,1386 9.993,1387 5.919,1388 8.019,1389 0.113,1390 0.064,1391 8.925,1392 4.564,1393 6.88,1394 0.073,1395 0.037,1396 7.919,1397 3.474,1398 0.31,1399 80.185,1400 0.227,1401 24.174,1402 0.56,1403 132,1404 322.219,1405 166.886,1406 336.551,1407 471.18,1408 318,1409 156,1410 338.407,1411 189.788,1412 358.092,1413 532,1414 340,1415 6.208}
{0 CHEMBL590031,1 1.656,2 5.467,3 -0.193,4 0.037,5 54.012,6 8.292,8 3.448,9 3.528,10 3.355,11 3.001,12 4.486,13 2.93,14 4.087,15 4.218,16 3.63,17 3.392,18 5.386,19 3.303,20 4.279,21 4.423,22 3.693,23 3.59,24 5.411,25 3.475,26 4.415,27 4.565,28 3.569,29 3.513,30 5.687,31 3.407,32 4.316,33 4.532,34 3.109,35 3.202,36 5.401,37 3.052,38 3.933,39 4.224,40 2.488,41 2.587,42 5.296,43 2.421,44 3.083,45 3.42,46 1.487,47 1.901,48 3.861,49 1.681,50 2.626,51 2.918,52 0.539,53 1.067,54 3.651,55 0.935,56 0.184,57 0.375,58 8.324,59 3.744,60 16.297,61 3.394,62 0.693,63 0.593,64 16.024,65 6.288,66 56.587,67 5.938,68 0.548,69 0.74,70 21.333,71 8.269,72 52.735,73 7.33,74 0.897,75 0.745,76 23.423,77 7.947,78 88.5,79 7.483,80 0.808,81 0.61,82 23.249,83 6.44,84 89.209,85 6.847,86 0.726,87 0.364,88 15.438,89 3.731,90 88.344,91 5.257,92 0.127,93 0.17,94 6.311,95 1.783,96 12.236,97 2.634,98 0.2,99 0.071,100 4.541,101 0.769,102 22.894,103 0.949,104 18,105 24,106 0.331,107 0.618,108 0.851,109 0.851,110 0.851,111 0.851,112 2.798,113 1.22,114 -1.8,115 -1.86,116 -1.87,121 32.1,122 1,123 1,124 1,126 1,127 2,138 1,140 1,160 1,176 2,179 4,180 5,187 2,192 6,200 1,205 2,206 9,214 1,231 4,281 142,282 9.715,283 9.715,284 9.715,285 9.715,286 9.715,287 9.128,288 10.352,289 5.323,290 9.889,291 7.745,292 7.745,293 7.745,294 7.745,295 7.745,296 6.665,297 9.517,298 2.375,299 8,300 3.152,301 1.718,302 0.554,303 0.554,304 0.554,305 0.554,306 3.432,311 1,312 1,313 169,314 2.449,317 27.657,319 36.265,322 54.53,325 0.898,326 27.722,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 34.667,338 82,339 4.591,340 3.814,341 7.013,342 4.318,343 3.334,344 3.967,345 1.674,346 11.914,347 3.28,348 4.32,349 3.355,350 6.68,351 4.016,352 3.027,353 3.677,354 0.765,355 10.677,356 2.987,357 3.257,358 2.796,359 5.092,360 2.979,361 2.02,362 2.33,364 5.825,365 1.94,366 3.073,367 2.403,368 4.836,369 2.794,370 1.817,371 2.081,373 5.046,374 1.736,375 1.919,376 1.598,377 3.773,378 1.791,379 0.873,380 0.892,382 2.191,383 0.79,384 1.734,385 1.204,386 3.599,387 1.623,388 0.693,389 0.703,391 1.534,392 0.637,393 1.465,394 0.79,395 3.181,396 1.195,397 0.292,398 0.31,400 0.442,401 0.261,402 1.085,403 0.471,404 2.769,405 0.732,406 -0.261,407 -0.308,409 -0.721,410 -0.252,411 0.714,413 2.256,414 0.365,415 -0.633,416 -0.746,418 -1.522,419 -0.629,420 0.282,421 -0.478,422 2,423 -0.003,424 -1,425 -1.187,427 -2.862,428 -0.988,430 -1.095,431 1.852,432 -0.335,433 -1.302,434 -1.593,436 -3.649,437 -1.245,438 -0.323,439 -1.302,440 1.458,441 -0.562,442 -1.525,443 -1.7,445 -4.398,446 -1.441,447 -0.632,448 -1.362,449 1.206,450 -0.678,451 -1.664,452 -1.811,454 -5.274,455 -1.583,456 -0.72,457 -1.421,458 0.972,459 -0.825,460 -1.757,461 -2,463 -5.653,464 -1.717,465 -0.789,466 -1.688,467 0.688,468 -0.939,469 -1.915,470 -2,471 -0.765,472 -6.548,473 -1.841,474 7.167,475 0.478,476 0.531,477 0.035,478 14.5,479 0.967,480 4.5,481 0.3,482 10,483 0.667,484 13.182,485 0.879,486 18.033,487 0.644,488 9.522,489 0.635,490 2.661,491 0.177,492 4.394,493 0.293,494 0.233,495 0.14,496 0.279,501 0.902,502 1.57,503 0.769,504 1.69,505 0.66,506 1.145,507 0.74,508 0.93,509 0.895,510 0.994,511 0.536,512 0.835,513 1.097,514 1.194,515 1.266,516 1.364,517 0.933,518 1.051,519 1.263,520 1.146,521 1.293,522 1.145,523 1.336,524 1.202,525 1.344,526 1.027,527 1.168,528 1.003,529 1.461,530 1.174,531 0.457,532 0.512,533 0.495,534 0.327,535 0.723,536 0.687,537 0.263,538 0.881,539 0.378,540 0.531,541 0.266,542 0.833,543 1.779,545 0.933,546 0.009,547 1.969,548 0.415,549 4.5,551 2.444,552 1.847,553 1.07,554 0.438,555 0.141,556 0.028,559 1304,560 4803,561 1.94,562 46.4,564 7,569 6,572 1.539,573 1.748,574 2.489,575 -0.586,577 1,582 46.361,583 1.656,584 3.089,585 4.253,586 4.253,587 4.253,588 4.253,589 1.966,590 3.507,591 3.883,592 2.531,593 265.778,594 6.545,595 2133.6,597 1,600 134.606,601 1.806,602 3.781,603 0.281,605 0.102,606 0.071,607 0.051,608 0.044,609 0.024,610 0.014,613 0.586,614 0.67,615 1,616 1.029,617 56.34,618 -0.175,619 -0.261,620 0.295,621 -0.246,622 -0.108,623 -0.036,624 0.274,625 0.151,626 0.106,627 0.123,628 0.212,629 0.155,630 -0.154,631 -0.083,632 -0.173,633 -0.089,634 -0.09,635 -0.033,636 -0.147,637 -0.154,638 -0.315,639 -0.137,640 -0.164,641 -0.274,642 -0.317,643 -0.155,644 -0.223,645 -0.154,646 -0.296,647 -0.258,648 0.421,649 0.197,650 0.299,651 0.172,652 0.351,653 0.226,654 0.209,655 -0.13,656 0.374,657 -0.001,658 0.209,659 0.18,660 -0.456,661 0.547,662 -0.027,663 0.424,664 -0.426,665 0.369,666 3.846,667 4.939,668 0.667,669 6.898,670 1.028,671 1.131,672 0.568,673 0.322,674 0.653,675 2.833,676 3.219,677 3.466,678 3.689,679 3.738,680 3.892,681 3.892,682 3.689,683 3.434,684 2.833,685 3.445,686 0.614,687 232.19,688 2.833,689 4.394,690 5.252,691 6.163,692 7.036,693 7.948,694 8.826,695 9.737,696 10.618,697 11.527,741 28,743 3,745 16,747 29,748 9,752 3,756 2,757 3,763 1,767 1,768 1,770 1,772 3,773 6,774 1,777 3,782 2,786 3,788 1,790 1,793 13,794 5,796 6,797 1,808 0.5,809 5,816 1,818 1,828 1,830 1,833 1,846 1,849 1,850 1,859 1,864 2,868 15,876 3,878 3,880 1,893 17.9,896 2,897 2,898 1,901 8.583,902 5.617,903 3.292,904 1.617,906 1,907 0.631,908 1.108,909 0.931,910 2.823,911 6.492,912 2.996,913 3.526,914 3.871,915 4.205,916 4.317,917 4.644,918 4.654,919 4.369,920 4.263,921 3.807,922 0.75,923 26,924 5.722,925 -0.001,926 2.618,927 0.026,929 8.176,931 10.527,933 8.957,936 2.676,937 40.139,938 0.003,941 167.692,942 42.456,945 70.251,947 14.668,948 42.456,949 223.276,951 19.708,952 7.127,953 14.668,954 71.686,955 14.185,957 153.024,959 153.024,960 42.456,961 70.251,962 14.668,964 82.398,965 127.035,966 13.843,968 15.952,969 21.26,970 19.912,972 153.024,973 70.251,974 42.456,975 14.668,976 14.668,977 153.024,978 22.747,979 19.708,981 70.251,982 153.024,983 70.251,984 57.124,986 0.602,987 0.364,988 0.182,989 0.083,990 13,991 6,992 0.034,993 1,994 1,995 1.2,996 2.539,997 101.915,998 0.2,999 10,1000 58.603,1005 11.031,1006 3.838,1007 1.931,1009 70.251,1018 280.399,1019 19,1024 23.32,1028 0.539,1030 -3.04,1031 28.796,1032 31.677,1034 0.344,1035 0.643,1036 0.885,1037 0.885,1038 0.885,1039 0.885,1040 4.304,1041 -0.261,1042 5.333,1043 0.442,1044 3.892,1045 4.205,1046 2.051,1047 6.252,1048 3.833,1049 5.549,1050 -0.633,1051 6.98,1052 -0.721,1053 3.892,1054 4.443,1056 7.667,1057 3.862,1058 6.933,1059 -1,1060 8.736,1061 -1.522,1062 5.68,1063 6.375,1064 2.857,1065 10.637,1066 5.592,1067 8.351,1068 -1.302,1069 10.553,1070 -2.862,1071 6.431,1072 7.334,1074 12.759,1075 6.36,1076 9.798,1077 -1.525,1078 12.408,1079 -3.649,1080 7.796,1081 8.873,1082 3.817,1083 15.354,1084 7.688,1085 11.261,1086 -1.664,1087 14.287,1088 -4.398,1089 8.821,1090 10.08,1092 17.697,1093 8.715,1094 12.736,1095 -1.757,1096 16.181,1097 -5.274,1098 10.058,1099 11.501,1100 4.827,1101 20.191,1102 9.927,1103 3.334,1104 -1.915,1105 18.086,1106 -5.653,1107 11.182,1108 12.798,1110 22.607,1111 11.043,1112 3.027,1113 11.914,1114 19.998,1115 -6.548,1116 12.38,1117 14.18,1118 5.851,1119 25.072,1120 12.221,1121 2.02,1122 10.677,1123 21.916,1124 3.967,1125 13.541,1126 15.512,1128 27.513,1129 13.369,1130 1.817,1131 5.825,1132 23.838,1133 3.677,1134 14.729,1135 16.88,1136 6.88,1137 29.972,1138 14.539,1139 0.873,1140 5.046,1141 25.762,1142 2.33,1143 15.905,1144 18.227,1146 32.424,1147 15.699,1148 0.693,1149 2.191,1150 27.689,1151 2.081,1152 17.09,1153 19.591,1154 7.91,1155 34.883,1156 16.868,1157 0.292,1158 1.534,1159 29.618,1160 0.892,1161 18.273,1162 20.946,1164 37.341,1165 18.035,1166 1406,1167 2773,1168 9.94,1169 18.284,1170 24.096,1171 25.662,1172 26.348,1173 23.959,1174 24.112,1175 27.918,1176 4.878,1177 75.255,1178 23.261,1179 5.568,1180 5.699,1181 6.388,1182 5.391,1183 5.334,1184 6.58,1185 3.349,1186 18.914,1187 5.215,1188 8.306,1189 1.506,1190 1.604,1191 1.647,1192 1.497,1193 1.507,1194 1.745,1195 0.305,1196 4.703,1197 1.454,1198 3.975,1199 3.986,1200 4.464,1201 4.023,1202 7.433,1203 3.86,1204 3.612,1205 3.612,1206 3.777,1207 3.629,1208 7.392,1209 3.465,1210 3.338,1211 3.403,1212 3.17,1213 3.171,1214 4.686,1215 3.155,1216 3.172,1217 3.243,1218 3.001,1219 2.885,1220 4.468,1221 2.889,1222 2.941,1223 2.981,1224 2.824,1225 2.736,1226 4.29,1227 2.688,1228 2.726,1229 2.784,1230 2.565,1231 2.492,1232 3.766,1233 2.461,1234 2.489,1235 2.548,1236 2.249,1237 2.176,1238 3.591,1239 2.194,1240 2.046,1241 2.156,1242 1.761,1243 1.713,1244 3.164,1245 1.664,1246 0.287,1247 0.238,1248 0.438,1249 0.27,1250 0.208,1251 4.591,1252 0.248,1253 3.814,1254 0.105,1255 7.013,1256 0.745,1257 4.318,1258 0.205,1259 3.334,1260 3.967,1261 1.674,1262 11.914,1263 3.28,1264 1.755,1265 1.717,1266 1.919,1267 1.86,1268 1.343,1269 1.904,1270 1.664,1271 1.659,1272 1.726,1273 1.767,1274 1.02,1275 1.822,1276 1.295,1277 1.262,1278 1.576,1279 1.567,1280 0.726,1281 1.576,1282 1.12,1283 1.047,1284 1.442,1285 1.438,1286 0.574,1287 1.446,1288 1.01,1289 0.939,1290 1.24,1291 1.27,1292 0.361,1293 1.305,1294 0.687,1295 0.629,1296 0.871,1297 0.907,1298 0.123,1299 0.983,1300 0.188,1301 0.081,1302 0.468,1303 0.581,1305 0.632,1306 0.093,1307 0.042,1308 0.378,1309 0.443,1311 0.448,1312 3.497,1314 4.86,1315 2.398,1316 6.402,1317 4.844,1318 8.017,1319 7.018,1320 9.672,1322 2.99,1328 1.285,1330 15.041,1332 0.003,1340 17.185,1341 46.361,1342 86.5,1343 119.096,1344 119.096,1345 119.096,1346 119.096,1347 31.389,1348 5.861,1349 61.83,1350 71.64,1351 12,1352 12.048,1353 2,1354 2,1355 23.362,1356 34,1357 27,1358 0.408,1359 110.37,1360 198.04,1361 261.063,1362 1917,1364 11.052,1365 0.737,1366 0.639,1367 11.302,1368 9.582,1369 7.055,1370 0.441,1371 0.407,1372 4.806,1373 5.75,1374 4.503,1375 3.701,1376 7.836,1377 6.506,1378 6.776,1379 0.282,1380 0.245,1381 8.086,1382 5.879,1383 5.638,1384 0.182,1385 0.15,1386 6.846,1387 4.643,1388 4.559,1389 0.117,1390 0.087,1391 5.494,1392 3.401,1393 3.004,1394 0.073,1395 0.057,1396 3.858,1397 2.351,1398 0.582,1399 53.164,1400 0.317,1401 14.488,1402 1.3,1403 80,1404 322.29,1405 129.783,1406 297.427,1407 391.23,1408 276,1409 95,1410 248.35,1411 152.356,1412 272.771,1413 404.95,1414 254,1415 4.62}
{0 CHEMBL590298,1 1.669,2 5.765,3 2.811,4 7.903,5 69.117,6 8.975,7 0.632,8 3.429,9 3.526,10 3.227,11 3.126,12 4.628,13 3.074,14 3.876,15 3.986,16 3.646,17 3.528,18 5.123,19 3.442,20 4.118,21 4.269,22 3.759,23 3.658,24 5.223,25 3.557,26 4.085,27 4.228,28 3.642,29 3.595,30 5.292,31 3.498,32 4.076,33 4.228,34 3.489,35 3.436,36 5.427,37 3.364,38 3.974,39 4.196,40 2.742,41 3.128,42 5.151,43 2.965,44 3.56,45 3.887,46 1.582,47 2.48,48 4.344,49 2.193,50 2.613,51 3.016,52 0.342,53 1.379,54 2.944,55 1.011,56 0.028,57 0.379,58 4.207,59 2.255,60 6.326,61 2.475,62 0.139,63 0.603,64 7.512,65 3.952,66 16.372,67 4.558,68 0.14,69 0.795,70 14.462,71 5.721,72 18.19,73 5.859,74 0.093,75 0.758,76 14.568,77 5.766,78 11.056,79 5.812,80 0.149,81 0.722,82 13.053,83 5.107,84 22.664,85 5.184,86 0.168,87 0.631,88 13.101,89 5.074,90 34.754,91 5.649,92 0.122,93 0.408,94 10.298,95 3.789,96 23.934,97 5.049,98 0.042,99 0.152,100 5.068,101 1.71,102 7.328,103 2.476,104 6,105 27,106 0.323,107 0.533,108 0.619,109 0.733,110 0.762,111 0.762,112 2.912,113 0.954,114 -3.38,115 -3.36,116 -3.21,121 48.1,144 8,146 4,161 1,165 1,166 1,167 1,176 6,179 1,180 2,182 2,183 2,187 6,192 5,200 6,206 4,211 2,214 4,216 2,219 5,224 5,227 6,229 5,232 2,237 2,239 6,241 2,251 2,281 258,282 11.621,283 11.621,284 11.621,285 11.621,286 11.621,287 9.985,288 11.063,289 6.897,290 11.873,291 9.4,292 9.4,293 9.4,294 9.4,295 9.4,296 7.01,297 12.775,298 3.247,299 9.871,300 3.086,301 2,302 1.556,303 0.963,304 0.815,305 0.815,306 3.59,311 1,312 1,313 213,314 2.345,318 84.542,322 95.332,325 0.747,326 12.187,329 1,330 0.83,331 1,332 0.4,334 1,335 1,336 0.75,337 36,338 98,339 4.541,340 4.609,341 6.96,342 4.208,343 3.275,344 4.103,345 2.95,346 11.777,347 3.048,348 3.962,349 3.666,350 5.982,351 3.502,352 2.532,353 3.58,354 1.678,355 8.37,356 2.447,357 3.66,358 3.221,359 5.623,360 3.29,361 2.362,362 2.892,363 0.527,364 7.268,365 2.184,366 2.997,367 2.681,368 4.451,369 2.554,370 1.604,371 2.174,373 4.094,374 1.492,375 2.919,376 1.788,377 4.116,378 2.448,379 1.449,380 2.039,382 3.329,383 1.439,384 2.819,385 1.628,386 3.671,387 2.336,388 1.347,389 1.966,391 3.09,392 1.329,393 2.702,394 1.348,395 3.594,396 2.227,397 1.247,398 1.792,400 2.902,401 1.215,402 1.881,403 0.841,404 3.176,405 1.476,406 0.519,407 0.673,409 1.243,410 0.488,411 1.121,412 0.558,413 2.81,414 0.713,415 -0.196,416 -0.243,418 -0.546,419 -0.175,420 0.909,421 0.49,422 2.404,423 0.491,424 -0.445,425 -0.563,427 -1.091,428 -0.405,429 0.591,430 -0.004,431 2,432 0.107,433 -0.879,434 -1.255,436 -2,437 -0.86,438 0.534,439 -0.707,440 2,441 0.059,442 -1,443 -1.257,445 -2.123,446 -0.971,447 0.339,448 -0.891,449 1.724,450 -0.024,451 -1,452 -1.531,454 -2.546,455 -1.053,456 0.209,457 -1.066,458 1.541,459 -0.254,460 -1.212,461 -1.731,463 -3.223,464 -1.164,465 -0.5,466 -1.125,467 1.261,468 -0.87,469 -1.801,470 -2.12,472 -5.194,473 -1.536,474 8.467,475 0.498,476 0.401,477 0.024,478 25.25,479 1.485,480 14.5,481 0.853,482 10.75,483 0.632,484 10.04,485 0.591,486 16.733,487 0.62,488 15.446,489 0.909,490 5,491 0.294,492 3.271,493 0.192,494 0.087,496 0.343,501 0.781,502 0.931,503 0.692,504 0.707,505 0.703,506 0.704,507 0.348,508 0.898,509 0.776,510 0.839,511 0.393,512 0.864,513 1.09,514 0.997,515 1.109,516 0.978,517 0.899,518 0.837,519 1.068,520 1.155,521 1.316,522 1.24,523 0.849,524 1.026,525 1.419,526 1.256,527 1.108,528 1.264,529 1.538,530 1.195,531 1.488,532 1.083,533 1.205,534 1.155,535 1.692,536 1.347,537 0.818,538 0.7,539 0.709,540 0.73,541 0.989,542 1.042,543 0.064,544 0.441,545 0.324,546 0.459,547 0.096,548 0.607,549 2.5,551 1.778,552 1.438,553 1.48,554 0.472,555 0.238,559 2063,560 6138,561 2.127,562 37,564 8,567 2,572 1.581,573 2,574 2.564,575 0.411,579 1,582 45.057,583 1.669,584 2.755,585 3.199,586 3.792,587 3.94,588 3.94,589 1.792,590 3.264,591 4.064,592 2.59,593 352.212,594 6.923,595 3129.02,596 1,597 1,599 1,600 128.382,601 1.379,602 4.023,603 0.132,605 0.066,606 0.05,607 0.055,608 0.021,609 0.024,613 0.347,614 0.83,615 1,616 0.844,617 67.276,618 -0.105,619 0.078,620 0.04,621 0.113,622 -0.141,623 0.084,624 0.385,625 0.098,626 0.09,627 0.07,628 0.186,629 -0.023,630 -0.134,631 0.036,632 0.011,633 0.081,634 -0.088,635 0.088,636 -0.114,637 -0.134,638 -0.192,639 -0.179,640 0.042,641 -0.109,642 -0.119,643 -0.295,644 -0.194,645 -0.349,646 -0.06,647 -0.308,648 -0.269,649 -0.182,650 -0.326,651 -0.249,652 -0.261,653 -0.343,654 0.005,655 0.13,656 0.177,657 0.199,658 -0.096,659 0.175,660 0.407,661 0.35,662 0.747,663 0.602,664 0.306,665 0.834,666 2.12,667 4.619,668 0.824,669 8.304,670 1.005,671 1.103,672 2.146,673 4.607,674 0.747,675 2.996,676 3.332,677 3.664,678 4.007,679 4.29,680 4.29,681 4.394,682 4.419,683 4.369,684 4.043,685 3.666,686 0.706,687 242.32,688 2.996,689 4.533,690 5.407,691 6.312,692 7.212,693 8.123,694 9.03,695 9.942,696 10.852,697 11.764,698 7.4,705 2,715 8,720 4,722 12,741 27,743 13,744 2,745 19,747 29,748 13,749 12,750 4,751 8,756 3,757 6,761 1,772 13,777 1,782 1,786 1,790 1,793 10,794 3,795 2,796 4,797 1,802 2,808 0.333,809 1,829 3,833 2,859 1,860 1,862 1,868 17,869 1,879 1,881 1,893 3.7,896 1,901 8.5,902 4.783,903 3.722,904 1.483,907 2.559,908 1.388,909 1.043,910 2.481,911 9.155,912 3.296,913 3.892,914 4.46,915 5.08,916 5.66,917 5.825,918 6.239,919 6.627,920 6.88,921 6.934,922 0.75,923 29,924 6.247,926 2.695,927 0.026,929 7.804,931 11.853,933 9.858,936 2.304,937 39.167,938 0.002,941 94.169,942 120.92,943 36.022,945 25.145,947 32.22,948 88.701,949 119.314,950 36.022,952 36.022,953 75.81,954 25.145,955 8.615,956 4.276,957 126.388,959 94.169,960 124.722,961 25.145,962 32.22,964 94.169,965 25.145,968 36.022,969 88.701,971 32.22,972 94.169,973 61.166,974 120.92,977 94.169,978 45.11,979 78.934,981 58.042,982 94.169,983 61.166,984 120.92,986 0.58,987 0.351,988 0.216,989 0.128,990 15,991 6,994 2,995 1.286,996 2.859,997 128.123,998 0.286,999 14,1000 53.487,1001 1,1005 10.538,1006 4.002,1007 1.668,1009 61.166,1010 15.522,1015 3.794,1017 32.897,1018 276.256,1019 26,1024 11.619,1028 -0.454,1031 27.142,1032 29.787,1034 0.351,1035 0.579,1036 0.673,1037 0.797,1038 0.829,1039 0.829,1040 4.522,1041 0.519,1042 5.398,1043 2.902,1044 4.007,1045 4.575,1046 3.158,1047 6.267,1048 3.904,1049 5.728,1050 -0.196,1051 6.986,1052 1.243,1053 3.611,1054 4.29,1055 1.305,1056 7.306,1057 3.415,1058 7.037,1059 -0.445,1060 8.684,1061 -0.546,1062 5.631,1063 6.73,1064 5.094,1065 10.478,1066 5.398,1067 8.381,1068 -0.879,1069 10.448,1070 -1.091,1071 6.089,1072 7.25,1073 2.419,1074 12.379,1075 5.745,1076 9.76,1077 -1,1078 12.256,1079 -2,1080 7.588,1081 9.169,1082 7.204,1083 15.073,1084 7.213,1085 11.163,1086 -1,1087 14.093,1088 -2.123,1089 8.447,1090 10.09,1091 3.517,1092 17.313,1093 7.962,1094 12.586,1095 -1.212,1096 15.951,1097 -2.546,1098 9.74,1099 11.762,1100 9.354,1101 19.852,1102 9.214,1103 3.275,1104 -1.801,1105 17.824,1106 -3.223,1107 10.782,1108 12.897,1109 4.595,1110 22.228,1111 10.155,1112 2.532,1113 11.777,1114 19.708,1115 -5.194,1116 11.997,1117 14.442,1118 11.513,1119 24.717,1120 11.317,1121 2.362,1122 8.37,1123 21.602,1124 4.103,1125 13.119,1126 15.693,1127 5.656,1128 27.146,1129 12.348,1130 1.604,1131 7.268,1132 23.503,1133 3.58,1134 14.31,1135 17.171,1136 13.675,1137 29.619,1138 13.476,1139 1.449,1140 4.094,1141 25.41,1142 2.892,1143 15.467,1144 18.488,1145 6.706,1146 32.07,1147 14.549,1148 1.347,1149 3.329,1150 27.322,1151 2.174,1152 16.65,1153 19.93,1154 15.839,1155 34.538,1156 15.665,1157 1.247,1158 3.09,1159 29.239,1160 2.039,1161 17.823,1162 21.285,1163 7.75,1164 36.998,1165 16.758,1166 2048,1167 3618,1168 12.83,1169 20.159,1170 29.068,1171 31.302,1172 29.673,1173 28.757,1174 28.671,1175 38.438,1176 10.31,1177 84.145,1178 27.284,1179 5.412,1180 6.609,1181 6.646,1182 5.372,1183 5.275,1184 7.103,1185 5.9,1186 19.309,1187 5.048,1188 6.444,1189 1.53,1190 1.647,1191 1.562,1192 1.514,1193 1.509,1194 2.023,1195 0.543,1196 4.429,1197 1.436,1198 4.02,1199 4.042,1200 4.147,1201 3.985,1202 7.438,1203 3.959,1204 3.758,1205 3.788,1206 3.686,1207 3.707,1208 4.907,1209 3.698,1210 3.427,1211 3.479,1212 3.416,1213 3.131,1214 4.781,1215 3.183,1216 2.977,1217 3.013,1218 3.263,1219 2.999,1220 4.615,1221 2.905,1222 2.894,1223 2.963,1224 2.776,1225 2.703,1226 3.834,1227 2.715,1228 2.786,1229 2.856,1230 2.628,1231 2.674,1232 3.73,1233 2.655,1234 2.559,1235 2.608,1236 2.457,1237 2.485,1238 3.583,1239 2.473,1240 2.319,1241 2.414,1242 2.221,1243 1.913,1244 3.275,1245 1.872,1246 0.239,1247 0.243,1248 0.366,1249 0.221,1250 0.172,1251 4.541,1252 0.216,1253 4.609,1254 0.155,1255 6.96,1256 0.62,1257 4.208,1258 0.16,1259 3.275,1260 4.103,1261 2.95,1262 11.777,1263 3.048,1264 1.976,1265 1.959,1266 2.029,1267 2.052,1268 1.194,1269 2.059,1270 1.772,1271 1.744,1272 1.902,1273 1.849,1274 0.978,1275 1.869,1276 1.273,1277 1.223,1278 1.431,1279 1.612,1280 0.36,1281 1.565,1282 0.964,1283 0.945,1284 1.15,1285 1.115,1286 0.262,1287 1.128,1288 0.865,1289 0.796,1290 1.109,1291 1.045,1292 0.165,1293 1.105,1294 0.817,1295 0.754,1296 1.07,1297 0.991,1299 1.035,1300 0.581,1301 0.538,1302 0.821,1303 0.715,1305 0.754,1306 0.167,1307 0.046,1308 0.506,1309 0.636,1311 0.604,1312 3.664,1314 4.99,1316 6.55,1318 8.222,1320 9.955,1326 5.475,1331 1.654,1333 1.557,1340 19.052,1341 45.057,1342 74.382,1343 86.382,1344 102.382,1345 106.382,1346 106.382,1347 19.737,1348 6.596,1349 48.02,1350 76.26,1351 18,1352 12.278,1353 3.807,1354 3,1355 23.398,1356 38,1357 28,1358 0.33,1359 121.515,1360 205.4,1361 288.256,1362 5333,1364 11.828,1365 0.696,1366 0.575,1367 12.182,1368 9.776,1369 8.271,1370 0.435,1371 0.318,1372 5.252,1373 7.619,1374 5.074,1375 4.202,1376 8.679,1377 6.043,1378 7.474,1379 0.277,1380 0.178,1381 8.116,1382 4.795,1383 6.3,1384 0.166,1385 0.1,1386 7.109,1387 3.783,1388 5.767,1389 0.107,1390 0.056,1391 6.673,1392 3,1393 5.068,1394 0.07,1395 0.032,1396 6.13,1397 2.325,1398 0.472,1399 55.074,1400 0.279,1401 16.346,1402 1.061,1403 92,1404 257.553,1405 124.111,1406 276.097,1407 383.22,1408 258,1409 111,1410 273.45,1411 140.931,1412 293.548,1413 434.98,1414 278,1415 4.049}
{0 CHEMBL590603,1 1.698,2 20.436,3 7.374,4 54.37,5 160.326,6 9.298,7 0.571,8 4.271,9 4.368,10 4.027,11 3.878,12 5.424,13 3.846,14 4.764,15 4.909,16 4.373,17 4.252,18 5.847,19 4.194,20 5.018,21 5.199,22 4.514,23 4.401,24 6.065,25 4.301,26 5.065,27 5.261,28 4.553,29 4.286,30 6.203,31 4.161,32 4.911,33 5.155,34 4.076,35 4.021,36 5.904,37 3.926,38 4.72,39 4.937,40 3.99,41 4.022,42 5.682,43 3.925,44 4.759,45 4.975,46 4.027,47 4.123,48 5.706,49 4.006,50 4.786,51 4.988,52 4.207,53 4.175,54 5.804,55 4.069,56 0.157,57 0.863,58 8.742,59 5.38,60 12.744,61 6.692,62 0.322,63 1.365,64 19.555,65 9.074,66 23.172,67 10.774,68 0.463,69 1.644,70 35.344,71 13.021,72 40.278,73 15.891,74 1.004,75 1.595,76 59.821,77 14.814,78 85.607,79 17.464,80 0.767,81 1.454,82 40.2,83 12.017,84 64.591,85 14.841,86 0.479,87 1.283,88 24.259,89 9.466,90 34.997,91 11.973,92 0.354,93 1.323,94 28.965,95 10.392,96 34.013,97 13.538,98 0.364,99 1.328,100 25.92,101 10.549,102 34.023,103 13.345,104 17,105 55,106 0.267,107 0.535,108 0.659,109 0.696,110 0.696,111 0.696,112 3.692,113 0.989,114 -6.33,115 -6.17,116 -5.73,121 44.6,123 1,127 4,144 10,145 4,146 4,147 4,157 2,168 2,176 8,180 4,187 16,189 6,192 8,200 6,203 2,206 12,214 10,217 1,219 10,221 2,227 4,232 2,234 2,239 4,241 4,244 2,251 8,253 2,256 2,264 22,266 2,271 2,277 8,281 3658,282 26.534,283 26.534,284 26.534,285 26.534,286 26.534,287 23.009,288 23.268,289 16.061,290 27.388,291 20.705,292 20.705,293 20.705,294 20.705,295 20.705,296 15.581,297 17.296,298 7.608,299 22.284,300 4.325,301 2.622,302 1.834,303 1.6,304 1.6,305 1.6,306 4.389,308 4,313 1702,314 4,318 656.986,325 3.655,326 28.446,329 0.5,330 0.5,331 0.5,332 0.4,333 0.5,334 0.5,335 0.5,336 0.49,337 83.333,338 797,339 4.326,340 3.946,341 6.389,342 3.885,343 2.962,344 3.986,345 2.436,346 9.632,347 2.684,348 4.326,349 3.946,350 6.389,351 3.885,352 2.962,353 3.986,354 2.436,355 9.632,356 2.684,357 4.069,358 3.364,359 5.503,360 3.635,361 2.677,362 3.675,363 0.533,364 7.42,365 2.575,366 4.051,367 3.364,368 5.48,369 3.605,370 2.64,371 3.664,372 0.533,373 7.361,374 2.555,375 3.591,376 2.743,377 5.15,378 3.221,379 2.266,380 2.894,382 6.435,383 2.152,384 3.538,385 2.683,386 5.108,387 3.113,388 2.175,389 2.851,391 6.317,392 2.029,393 3.232,394 2.623,395 4.841,396 2.707,397 1.879,398 2.481,400 5.104,401 1.57,402 3.232,403 2.623,404 4.841,405 2.707,406 1.879,407 2.481,409 5.104,410 1.563,411 2.987,412 2.32,413 4.078,414 2.614,415 1.668,416 2.133,418 3.776,419 1.441,420 2.98,421 2.243,422 4.078,423 2.605,424 1.659,425 2.13,427 3.774,428 1.441,429 2.808,430 1.837,431 3.608,432 2.323,433 1.346,434 1.823,436 2.924,437 1.309,438 2.79,439 1.832,440 3.582,441 2.286,442 1.315,443 1.798,445 2.864,446 1.267,447 2.5,448 1.289,449 3.436,450 2.118,451 1.15,452 1.5,454 2.524,455 1.107,456 2.5,457 1.275,458 3.414,459 1.984,460 1,461 1.5,463 2.275,464 0.983,465 2.288,466 1.22,467 3.414,468 1.984,469 1,470 1.27,472 2.275,473 0.983,474 19.624,475 0.503,476 0.767,477 0.02,478 50,479 1.282,480 25,481 0.641,482 25,483 0.641,484 34.529,485 0.885,486 40.976,487 0.63,488 38.409,489 0.985,490 10.351,491 0.265,492 8.64,493 0.222,494 0.146,496 0.245,501 0.589,502 1.243,503 0.519,504 0.865,505 0.539,506 0.85,507 1.035,508 1.105,509 0.68,510 0.8,511 0.775,512 0.868,513 1.045,514 1.133,515 0.925,516 0.976,517 0.993,518 1.008,519 1.024,520 1.169,521 1.173,522 1.312,523 1.057,524 1.211,525 1.048,526 0.9,527 0.709,528 0.859,529 0.82,530 0.858,531 0.837,532 0.956,533 0.565,534 0.736,535 0.699,536 0.864,537 0.689,538 0.945,539 0.773,540 0.902,541 0.806,542 0.962,543 0.822,544 0.952,545 0.65,546 0.77,547 0.72,548 0.867,549 6.5,550 0.214,551 4.222,552 2,553 1.511,554 0.653,555 0.444,556 0.479,557 0.329,558 0.227,559 33870,560 113732,561 2.067,562 40,564 18,566 6,570 2,572 1.782,573 1.966,574 4.202,575 -0.738,582 110.361,583 1.698,584 3.4,585 4.188,586 4.422,587 4.422,588 4.422,589 3.593,590 3.798,591 5.257,592 4.513,593 3343.91,594 9.199,595 68844.9,600 391.454,601 1.252,602 5.231,603 0.155,604 0.007,605 0.077,606 0.036,607 0.034,608 0.017,609 0.012,610 0.012,611 0.007,612 0.006,613 0.362,614 0.33,615 0.63,616 0.472,617 231.274,618 0.119,619 -0.114,620 0.018,621 -0.041,622 0.061,623 -0.023,624 -0.163,626 -0.013,627 0.066,628 -0.056,629 0.001,630 -0.124,631 -0.105,632 -0.028,633 -0.03,634 -0.091,635 -0.059,636 0.176,637 -0.214,638 -0.007,639 -0.291,640 0.141,641 -0.215,642 0.044,643 0.099,644 0.091,645 0.097,646 0.13,647 0.14,648 -0.012,649 0.094,650 0.06,651 0.166,652 0.007,653 0.092,654 -0.053,655 0.083,656 -0.026,657 0.035,658 -0.102,659 0.03,660 -0.06,661 0.062,662 0.088,663 0.167,664 0.022,665 0.11,666 1.292,667 2.031,668 0.615,669 70.548,670 1.013,671 1.117,672 5.102,673 26.03,674 0.727,675 3.761,676 4.025,677 4.234,678 4.382,679 4.511,680 4.419,681 4.394,682 4.489,683 4.575,684 4.691,685 12.142,686 0.687,687 604.39,688 3.761,689 5.273,690 6.089,691 6.923,692 7.746,693 8.581,694 9.406,695 10.241,696 11.067,697 11.902,698 6.2,707 2,708 2,715 14,720 8,721 2,722 24,726 2,740 4,741 65,743 26,744 2,745 42,747 68,748 29,749 22,750 6,751 6,752 2,756 4,757 4,758 4,770 1,772 24,773 5,777 2,784 2,785 2,793 26,794 4,796 10,797 4,802 4,803 2,808 1,809 2,822 2,829 4,859 4,865 4,868 39,876 5,878 2,892 4,893 3.1,898 2,901 19.833,902 11.638,903 8.778,904 3.815,907 5.435,908 1.667,909 0.972,910 11.57,911 13.583,912 4.043,913 4.605,914 5.13,915 5.597,916 6.059,917 6.06,918 6.174,919 6.409,920 6.723,921 7.156,922 1,923 56,924 14.281,926 5.839,927 0.026,929 7.712,931 27.204,933 21.465,936 2.212,937 86.278,941 306.049,942 191.722,943 42.598,944 156.595,945 22.438,948 191.722,949 485.081,950 42.598,952 15.931,953 94.762,954 92.52,955 124.172,957 235.422,958 156.595,959 306.049,960 234.32,961 22.438,962 156.595,964 282.506,965 45.98,968 90.92,969 121.507,970 178.488,972 306.049,973 65.035,974 348.317,977 306.049,978 42.675,979 152.845,981 217.832,982 306.049,983 65.035,984 348.317,986 0.57,987 0.329,988 0.167,989 0.083,990 22,991 10,992 0.176,993 12,995 1,996 5.325,997 333.448,999 24,1000 148.131,1005 29.463,1006 15.316,1007 9.276,1009 61.237,1010 26.688,1015 5.53,1016 4.262,1018 719.401,1019 56,1026 3.319,1027 8.039,1031 65.843,1032 72.586,1034 0.282,1035 0.565,1036 0.695,1037 0.734,1038 0.734,1039 0.734,1040 5.242,1041 1.879,1042 6.033,1043 5.104,1044 4.71,1045 5.293,1046 3.253,1047 6.753,1048 4.559,1049 6.426,1050 1.668,1051 7.54,1052 5.104,1053 4.111,1054 4.913,1056 7.496,1057 3.769,1058 7.704,1059 1.659,1060 9.146,1061 3.776,1062 6.221,1063 7.434,1064 4.957,1065 10.541,1066 5.946,1067 9.017,1068 1.346,1069 10.814,1070 3.774,1071 6.463,1072 7.88,1074 12.148,1075 5.998,1076 10.36,1077 1.315,1078 12.522,1079 2.924,1080 7.993,1081 9.836,1082 6.729,1083 14.688,1084 7.58,1085 11.726,1086 1.15,1087 14.26,1088 2.864,1089 8.646,1090 10.689,1092 16.658,1093 8.055,1094 13.109,1095 1,1096 16.019,1097 2.524,1098 9.922,1099 12.379,1100 8.509,1101 19.023,1102 9.347,1103 2.962,1104 1,1105 17.795,1106 2.275,1107 10.782,1108 13.451,1110 21.153,1111 10.048,1112 2.962,1113 9.632,1114 19.584,1115 2.275,1116 11.943,1117 15.001,1118 10.289,1119 23.454,1120 11.19,1121 2.677,1122 9.632,1123 21.384,1124 3.986,1125 12.908,1126 16.197,1128 25.656,1129 12.013,1130 2.64,1131 7.42,1132 23.193,1133 3.986,1134 14.016,1135 17.668,1136 12.069,1137 27.933,1138 13.075,1139 2.266,1140 7.361,1141 25.009,1142 3.675,1143 15.034,1144 18.935,1146 30.168,1147 13.966,1148 2.175,1149 6.435,1150 26.831,1151 3.664,1152 16.121,1153 20.363,1154 13.85,1155 32.437,1156 14.986,1157 1.879,1158 6.317,1159 28.658,1160 2.894,1161 17.166,1162 21.672,1164 34.687,1165 15.914,1166 32070,1167 59054,1168 28.315,1169 47.262,1170 61.218,1171 65.616,1172 61.932,1173 61.022,1174 60.39,1175 80.3,1176 11.874,1177 162.095,1178 55.389,1179 5.192,1180 5.946,1181 6.066,1182 4.928,1183 4.962,1184 6.986,1185 4.872,1186 16.191,1187 4.684,1188 18.557,1189 1.458,1190 1.562,1191 1.475,1192 1.453,1193 1.438,1194 1.912,1195 0.283,1196 3.859,1197 1.319,1198 4.024,1199 4.072,1200 4.115,1201 3.914,1202 5.07,1203 3.914,1204 3.932,1205 3.974,1206 4.088,1207 3.868,1208 5.032,1209 3.858,1210 3.919,1211 3.938,1212 3.936,1213 3.849,1214 4.924,1215 3.849,1216 3.902,1217 3.92,1218 3.867,1219 3.804,1220 4.918,1221 3.812,1222 3.547,1223 3.605,1224 3.582,1225 3.398,1226 4.711,1227 3.392,1228 3.389,1229 3.443,1230 3.582,1231 3.118,1232 4.675,1233 3.153,1234 3.297,1235 3.348,1236 3.441,1237 3.063,1238 4.632,1239 3.079,1240 3.127,1241 3.191,1242 3.323,1243 2.969,1244 4.632,1245 2.967,1246 0.103,1247 0.094,1248 0.152,1249 0.092,1250 0.071,1251 4.326,1252 0.095,1253 3.946,1254 0.058,1255 6.389,1256 0.229,1257 3.885,1258 0.064,1259 2.962,1260 3.986,1261 2.436,1262 9.632,1263 2.684,1264 1.943,1265 1.898,1266 2.074,1267 2.107,1268 1.298,1269 2.101,1270 1.898,1271 1.879,1272 2,1273 2.039,1274 1.131,1275 2.03,1276 1.89,1277 1.874,1278 1.954,1279 1.957,1280 1.131,1281 1.97,1282 1.881,1283 1.846,1284 1.952,1285 1.955,1286 1.091,1287 1.968,1288 1.538,1289 1.478,1290 1.764,1291 1.712,1292 0.945,1293 1.727,1294 1.272,1295 1.217,1296 1.485,1297 1.57,1298 0.611,1299 1.536,1300 1.219,1301 1.168,1302 1.467,1303 1.494,1304 0.607,1305 1.483,1306 1.112,1307 1.048,1308 1.361,1309 1.318,1310 0.55,1311 1.34,1312 4.443,1314 5.72,1316 7.186,1318 8.739,1320 10.333,1323 24.57,1328 3.153,1330 10.717,1340 44.674,1341 110.361,1342 221.015,1343 272.235,1344 287.454,1345 287.454,1346 287.454,1347 74.135,1348 8.148,1349 50.94,1350 50.94,1351 24,1352 12.473,1353 4.755,1354 3.907,1355 71.348,1356 290,1357 221,1358 0.114,1359 289.82,1360 505.32,1361 698.92,1362 57674,1363 6.2,1364 27.451,1365 0.704,1366 0.616,1367 29.451,1368 24.02,1369 18.991,1370 0.452,1371 0.33,1372 12.302,1373 17.185,1374 11.936,1375 9.885,1376 20.146,1377 13.849,1378 16.372,1379 0.298,1380 0.189,1381 17.855,1382 10.382,1383 13.519,1384 0.199,1385 0.109,1386 14.952,1387 7.401,1388 10.579,1389 0.134,1390 0.061,1391 12.074,1392 4.791,1393 7.869,1394 0.087,1395 0.031,1396 8.533,1397 2.826,1398 0.195,1399 130.874,1400 0.188,1401 37.317,1402 0.275,1403 194,1404 590.241,1405 268.773,1406 690.316,1407 897.08,1408 642,1409 220,1410 565.664,1411 281.146,1412 608.337,1413 870.3,1414 570,1415 5.222}
{0 CHEMBL59074,1 1.337,2 13.133,3 3.988,4 15.903,5 119.829,6 6.743,7 0.563,8 4.152,9 4.269,10 3.634,11 3.694,12 5.208,13 3.651,14 4.691,15 4.877,16 3.95,17 4.072,18 5.643,19 4.013,20 4.922,21 5.103,22 4.055,23 4.274,24 5.917,25 4.174,26 5.115,27 5.353,28 3.996,29 4.316,30 6.018,31 4.179,32 5.125,33 5.371,34 3.951,35 4.315,36 6.029,37 4.166,38 5.084,39 5.339,40 3.842,41 4.263,42 5.978,43 4.093,44 5.025,45 5.307,46 3.725,47 4.134,48 5.863,49 3.963,50 4.824,51 5.082,52 3.656,53 3.983,54 5.731,55 3.84,56 0.041,57 0.778,58 13.456,59 5.942,60 10.723,61 7.916,62 0.243,63 1.268,64 24.61,65 9.342,66 21.727,67 12.69,68 0.291,69 1.576,70 30.608,71 12.667,72 36.657,73 17.193,74 0.3,75 1.828,76 38.156,77 14.951,78 50.052,79 20.779,80 0.439,81 1.832,82 38.8,83 15.11,84 56.426,85 21.092,86 0.36,87 1.753,88 36.99,89 14.937,90 54.548,91 20.994,92 0.365,93 1.593,94 35.557,95 13.854,96 51.75,97 19.511,98 0.237,99 1.322,100 28.751,101 11.284,102 43.281,103 15.675,104 30,105 44,106 0.217,107 0.49,108 0.674,109 0.796,110 0.825,111 0.83,112 3.44,113 0.967,114 -1.91,115 -1.96,116 -1.97,121 43.3,123 2,126 4,127 1,144 12,145 3,146 3,159 1,176 15,180 4,187 16,189 3,191 1,192 7,200 12,203 4,206 4,214 8,216 4,218 1,219 3,227 12,229 2,231 1,232 3,239 16,244 3,246 1,251 16,253 1,256 3,264 11,266 2,269 4,277 6,279 1,281 1532,282 20.126,283 20.126,284 20.126,285 20.126,286 20.126,287 17.874,288 23.58,289 11.864,290 20.566,291 15.659,292 15.659,293 15.659,294 15.659,295 15.659,296 12.166,297 30.066,298 5.452,299 16.186,300 4.57,301 2.885,302 1.747,303 0.996,304 0.817,305 0.784,306 4.119,311 1,312 1,313 827,314 4.123,318 338.478,325 1.951,326 21.473,329 1,330 1,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.88,337 63.5,338 394,339 4.515,340 3.749,341 7.311,342 4.319,343 3.396,344 3.971,345 1.277,346 12.528,347 3.139,348 4.325,349 3.61,350 6.238,351 3.941,352 2.96,353 3.896,354 1.26,355 9.347,356 2.922,357 3.927,358 3.16,359 5.89,360 3.591,361 2.605,362 3.453,363 0.86,364 8.102,365 2.551,366 3.869,367 2.729,368 5.486,369 3.491,370 2.497,371 3.234,372 0.86,373 7.313,374 2.465,375 3.724,376 2.57,377 5.289,378 3.359,379 2.368,380 3.066,381 0.245,382 6.747,383 2.34,384 3.013,385 2.197,386 4.646,387 2.652,388 1.666,389 2.18,391 4.631,392 1.64,393 2.919,394 1.935,395 4.403,396 2.523,397 1.61,398 2.058,400 4.192,401 1.462,402 2.873,403 1.777,404 4.15,405 2.447,406 1.443,407 1.991,409 3.667,410 1.444,411 2.806,412 1.507,413 3.616,414 2.369,415 1.365,416 1.877,418 3.028,419 1.365,420 2.569,421 1.167,422 3.494,423 2.105,424 1.112,425 1.598,427 2.549,428 1.103,429 2.5,430 1.058,431 3.247,432 2,433 1,434 1.5,436 2.136,437 1,438 1.889,439 1,440 3.133,441 1.61,442 0.691,443 0.804,445 1.325,446 0.626,447 1.745,448 0.987,449 3.058,450 1.439,451 0.446,452 0.536,454 0.916,455 0.436,456 1.451,457 0.934,458 2.943,459 1.177,460 0.309,461 0.346,463 0.423,464 0.268,465 1.108,466 0.176,467 2.604,468 0.853,469 -0.121,470 -0.141,472 -0.324,473 -0.117,474 14.4,475 0.48,476 0.748,477 0.025,478 38.75,479 1.292,480 20.5,481 0.683,482 18.25,483 0.608,484 25.136,485 0.838,486 32.7,487 0.545,488 31.109,489 1.037,490 8.094,491 0.27,492 6.33,493 0.211,494 0.162,495 0.028,496 0.243,501 0.795,502 1.339,503 0.879,504 1.179,505 0.64,506 1.057,507 1.313,508 0.854,509 0.946,510 0.794,511 0.75,512 0.807,513 0.872,514 1.26,515 1.101,516 1.226,517 0.993,518 1.195,519 0.952,520 1.103,521 1.03,522 1.079,523 1.138,524 1.065,525 0.888,526 0.993,527 1.041,528 1.009,529 0.842,530 1.036,531 0.634,532 1.054,533 1.016,534 1.093,535 0.89,536 1.098,537 0.797,538 0.827,539 0.862,540 0.851,541 1.142,542 0.867,543 0.927,544 0.959,545 0.906,546 0.952,547 1.331,548 0.933,549 7,550 0.211,551 3.778,552 2,553 1.924,554 1.16,555 0.429,556 0.389,557 0.283,558 0.197,559 12222,560 28494,561 2.004,562 50,563 2,564 26,568 2,572 1.725,573 1.865,574 3.674,575 -0.858,577 1,582 80.24,583 1.337,584 3.022,585 4.16,586 4.911,587 5.09,588 5.123,589 3.111,590 4.615,591 4.88,592 3.836,593 1668.72,594 8.495,595 24090.5,597 1,600 354.413,601 1.549,602 4.824,603 0.219,604 0.008,605 0.086,606 0.043,607 0.046,608 0.029,609 0.012,610 0.012,611 0.009,612 0.007,613 0.472,614 0.5,615 1,616 0.855,617 156.701,618 0.025,619 -0.185,620 0.062,621 -0.093,622 -0.024,623 -0.026,624 -0.146,625 0.255,626 0.054,627 0.205,628 -0.014,629 0.166,630 0.056,631 -0.198,632 -0.14,633 -0.193,634 -0.014,635 -0.191,636 -0.043,637 -0.105,638 -0.056,639 -0.091,640 -0.061,641 -0.078,642 0.017,643 -0.001,644 -0.066,645 -0.026,646 0.052,647 -0.05,648 0.082,649 -0.08,650 -0.063,651 -0.1,652 0.07,653 -0.098,654 0.039,655 0.105,656 0.113,657 0.12,658 -0.007,659 0.122,660 -0.01,661 -0.005,662 0.072,663 0.031,664 -0.022,665 0.056,666 1.57,667 5.709,668 0.6,669 31.076,670 0.99,671 1.119,672 0.677,673 0.458,674 0.657,675 3.497,676 3.807,677 4.025,678 4.205,679 4.394,680 4.344,681 4.394,682 4.344,683 4.382,684 4.454,685 7.611,686 0.613,687 404.57,688 3.497,689 5.03,690 5.861,691 6.727,692 7.575,693 8.444,694 9.298,695 10.167,696 11.024,697 11.894,698 1.7,712 1,715 12,720 6,722 18,727 1,739 2,741 60,743 19,744 3,745 32,747 62,748 26,749 18,750 6,751 12,752 1,756 3,757 3,770 2,772 19,773 7,777 1,782 1,786 1,790 1,793 30,794 3,796 4,802 1,803 1,807 1,808 1,809 3,829 3,859 3,864 4,868 30,876 3,878 2,883 1,893 5,896 1,898 2,901 16.083,902 12,903 6.764,904 3.507,907 3.051,908 1.421,909 0.937,910 7.172,911 10.306,912 3.761,913 4.324,914 4.846,915 5.328,916 5.829,917 5.844,918 6.065,919 6.096,920 6.384,921 6.719,922 0.889,923 46,924 11.088,926 4.517,927 0.026,929 7.622,931 21.449,933 17.072,936 2.122,937 63.667,939 1,940 1,941 353.133,942 187.382,945 47.145,948 187.382,949 400.278,951 38.559,952 7.175,953 113.715,954 30.278,955 44.8,957 353.133,959 353.133,960 187.382,961 47.145,964 353.133,965 47.145,968 7.175,969 180.208,972 353.133,973 47.145,974 187.382,977 353.133,978 35.109,979 152.274,981 47.145,982 353.133,983 47.145,984 187.382,986 0.576,987 0.339,988 0.174,989 0.094,990 19,991 9,992 0.145,993 9,995 1,996 4.124,997 252.031,999 18,1000 141.207,1005 21.918,1006 9.816,1007 5.65,1009 47.145,1010 24.361,1015 5.543,1018 587.66,1019 42,1024 12.709,1028 0.097,1031 59.396,1032 67.147,1034 0.226,1035 0.512,1036 0.704,1037 0.831,1038 0.862,1039 0.867,1040 4.987,1041 1.443,1042 5.866,1043 4.192,1044 4.489,1045 5.011,1046 2.271,1047 6.688,1048 4.429,1049 6.196,1050 1.365,1051 7.444,1052 3.667,1053 4.205,1054 4.771,1055 0.931,1056 7.861,1057 4.072,1058 7.506,1059 1.112,1060 9.137,1061 3.028,1062 6.142,1063 7.155,1064 2.428,1065 10.867,1066 6.006,1067 8.853,1068 1,1069 10.903,1070 2.549,1071 6.686,1072 7.673,1073 1.381,1074 12.887,1075 6.448,1076 10.231,1077 0.691,1078 12.718,1079 2.136,1080 8.128,1081 9.56,1082 2.737,1083 15.512,1084 7.88,1085 11.63,1086 0.446,1087 14.569,1088 1.325,1089 9.034,1090 10.437,1091 1.783,1092 17.848,1093 8.677,1094 13.046,1095 0.309,1096 16.446,1097 0.916,1098 10.302,1099 12.093,1100 3.126,1101 20.384,1102 9.912,1103 3.396,1104 -0.121,1105 18.344,1106 0.423,1107 11.37,1108 13.166,1109 2.192,1110 22.837,1111 10.875,1112 2.96,1113 12.528,1114 20.258,1115 -0.324,1116 12.581,1117 14.697,1118 3.559,1119 25.357,1120 12.032,1121 2.605,1122 9.347,1123 22.185,1124 3.971,1125 13.722,1126 15.885,1127 2.615,1128 27.855,1129 13.075,1130 2.497,1131 8.102,1132 24.123,1133 3.896,1134 14.92,1135 17.346,1136 4.015,1137 30.375,1138 14.203,1139 2.368,1140 7.313,1141 26.07,1142 3.453,1143 16.096,1144 18.603,1145 3.05,1146 32.889,1147 15.285,1148 1.666,1149 6.747,1150 28.025,1151 3.234,1152 17.295,1153 20.024,1154 4.483,1155 35.412,1156 16.406,1157 1.61,1158 4.631,1159 29.985,1160 3.066,1161 18.488,1162 21.324,1163 3.495,1164 37.934,1165 17.509,1166 11961,1167 18405,1168 20.86,1169 39.409,1170 47.499,1171 48.463,1172 48.809,1173 46.918,1174 46.939,1175 61.019,1176 9.005,1177 133.809,1178 45.522,1179 5.393,1180 5.749,1181 7.113,1182 5.323,1183 5.396,1184 6.971,1185 2.555,1186 19.927,1187 5.139,1188 16.151,1189 1.484,1190 1.514,1191 1.525,1192 1.466,1193 1.467,1194 1.907,1195 0.281,1196 4.182,1197 1.423,1198 4.045,1199 4.087,1200 3.978,1201 3.951,1202 7.427,1203 3.952,1204 3.937,1205 3.953,1206 3.889,1207 3.852,1208 4.923,1209 3.856,1210 3.866,1211 3.895,1212 3.794,1213 3.811,1214 4.787,1215 3.804,1216 3.616,1217 3.682,1218 3.499,1219 3.435,1220 4.706,1221 3.441,1222 3.467,1223 3.506,1224 3.363,1225 3.291,1226 4.496,1227 3.297,1228 3.247,1229 3.314,1230 3.052,1231 2.991,1232 4.272,1233 2.996,1234 3.218,1235 3.289,1236 3.034,1237 2.95,1238 4.223,1239 2.958,1240 2.983,1241 3.063,1242 2.817,1243 2.849,1244 3.854,1245 2.829,1246 0.141,1247 0.117,1248 0.228,1249 0.135,1250 0.106,1251 4.515,1252 0.124,1253 3.749,1254 0.04,1255 7.311,1256 0.392,1257 4.319,1258 0.098,1259 3.396,1260 3.971,1261 1.277,1262 12.528,1263 3.139,1264 1.991,1265 1.957,1266 2.115,1267 2.121,1268 1.337,1269 2.122,1270 1.91,1271 1.892,1272 2.027,1273 2.015,1274 1.21,1275 2.014,1276 1.87,1277 1.846,1278 1.974,1279 1.953,1280 1.078,1281 1.966,1282 1.587,1283 1.521,1284 1.823,1285 1.795,1286 0.988,1287 1.809,1288 1.431,1289 1.381,1290 1.668,1291 1.634,1292 0.807,1293 1.642,1294 1.193,1295 1.121,1296 1.576,1297 1.523,1298 0.575,1299 1.539,1300 1.188,1301 1.113,1302 1.553,1303 1.462,1304 0.573,1305 1.496,1306 1.017,1307 0.943,1308 1.417,1309 1.239,1310 0.512,1311 1.308,1312 4.174,1314 5.485,1316 6.995,1318 8.588,1320 10.224,1322 7.582,1328 2.062,1330 10.562,1335 0.751,1340 36.804,1341 80.24,1342 181.316,1343 249.619,1344 294.639,1345 305.394,1346 307.394,1347 58.642,1348 7.255,1349 35.53,1350 35.53,1351 18,1352 12.44,1353 4.322,1354 3.459,1355 55.541,1356 138,1357 128,1358 0.194,1359 228.964,1360 400.87,1361 550.432,1362 14592,1364 21.562,1365 0.719,1366 0.609,1367 21.562,1368 18.274,1369 14.424,1370 0.451,1371 0.322,1372 10.162,1373 13.918,1374 9.748,1375 8.22,1376 14.424,1377 10.313,1378 12.891,1379 0.293,1380 0.187,1381 12.891,1382 8.24,1383 10.492,1384 0.191,1385 0.101,1386 10.492,1387 5.544,1388 8.217,1389 0.124,1390 0.057,1391 8.217,1392 3.768,1393 6.518,1394 0.081,1395 0.032,1396 6.518,1397 2.568,1398 0.312,1399 90.174,1400 0.219,1401 28.769,1402 0.511,1403 152,1404 397.539,1405 162.303,1406 383.274,1407 521.06,1408 360,1409 175,1410 373.981,1411 186.914,1412 387.081,1413 553.31,1414 359,1415 5.983}
{0 CHEMBL59109,1 1.861,2 7.125,3 3.196,4 10.213,5 75.158,6 9.73,7 0.231,8 3.748,9 3.846,10 3.478,11 3.231,12 5.062,13 3.289,14 4.365,15 4.49,16 4.099,17 3.684,18 6.453,19 3.742,20 4.6,21 4.764,22 4.031,23 3.925,24 5.918,25 3.926,26 4.812,27 5.012,28 4.079,29 3.961,30 6.086,31 3.958,32 4.898,33 5.114,34 4.245,35 3.814,36 6.565,37 3.891,38 4.807,39 5.056,40 3.903,41 3.381,42 6.5,43 3.547,44 4.159,45 4.346,46 3.645,47 2.691,48 6.11,49 3.005,50 3.873,51 4.062,52 3.606,53 1.982,54 6.601,55 2.504,56 0.441,57 1.043,58 3.894,59 3.715,60 95.988,61 3.137,62 1.512,63 2.193,64 10.587,65 6.63,66 282.881,67 6.131,68 1.149,69 1.807,70 13.504,71 8.297,72 205.404,73 8.595,74 1.718,75 1.959,76 21.673,77 9.968,78 333.433,79 10.617,80 2.089,81 2.408,82 26.91,83 9.838,84 386.864,85 10.359,86 2.859,87 1.853,88 35.49,89 8.932,90 498.143,91 6.971,92 1.365,93 1.24,94 14.087,95 3.87,96 224.206,97 2.325,98 1.969,99 1.677,100 13.619,101 2.953,102 375.091,103 1.452,104 70,105 43,106 0.343,107 0.712,108 0.802,109 0.873,110 0.873,111 0.873,112 3.231,113 0.803,114 -4.66,115 -4.58,116 -4.31,121 41.7,123 2,124 1,132 1,134 2,137 2,138 2,144 2,145 1,148 1,149 1,165 1,166 1,167 1,176 8,180 3,183 1,185 4,187 11,189 3,192 2,197 5,200 12,203 4,206 3,208 1,209 1,211 5,214 9,216 3,219 2,224 1,227 4,236 1,237 3,238 1,239 1,249 2,281 770,282 14.571,283 14.571,284 14.571,285 14.571,286 14.571,287 13.495,288 18.064,289 7.893,290 15.217,291 12.849,292 12.849,293 12.849,294 12.849,295 12.849,296 11.04,297 21.329,298 3.794,299 14.085,300 3.309,301 1.309,302 0.82,303 0.431,304 0.431,305 0.431,306 3.894,310 1,311 1,312 1,313 352,314 4.359,318 144.692,320 59.439,322 82.198,324 96.163,325 1.313,326 72.387,328 1,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 59,338 171,339 4.839,340 4.491,341 7.934,342 4.67,343 3.692,344 4.215,345 3.847,346 14.974,347 3.621,348 4.38,349 4.396,350 7.102,351 4.115,352 3.264,353 3.665,354 3.825,355 11.634,356 2.798,357 4.19,358 4.044,359 6.478,360 3.905,361 3.087,362 3.465,363 1.345,364 10.183,365 2.584,366 3.906,367 2.871,368 6.094,369 3.546,370 2.606,371 3.084,372 0.639,373 8.517,374 2.42,375 3.507,376 2.825,377 5.8,378 3.375,379 2.393,380 2.626,381 0.317,382 7.945,383 2.273,384 3.317,385 2.327,386 4.949,387 2.938,388 1.994,389 2.494,391 5.646,392 1.867,393 2.971,394 2.187,395 4.779,396 2.501,397 1.581,398 1.97,400 4.949,401 1.408,402 2.661,403 1.394,404 4.286,405 2.229,406 1.254,407 1.717,409 3.446,410 1.219,411 2.063,412 1.008,413 3.899,414 1.593,415 0.637,416 0.809,418 1.989,419 0.602,420 1.355,421 0.51,422 3.284,423 1.11,424 0.123,425 0.144,427 0.347,428 0.121,429 0.935,430 0.51,431 3.142,432 0.603,433 -0.317,434 -0.374,436 -0.82,437 -0.288,438 0.752,439 0.51,440 2.88,441 0.424,442 -0.536,443 -0.61,445 -1.695,446 -0.512,447 0.362,448 0.51,449 2.774,450 0.174,451 -0.779,452 -0.816,454 -2.828,455 -0.7,456 0.183,457 0.419,458 2.387,459 -0.032,460 -1,461 -1,463 -3,464 -0.7,466 0.081,467 2.295,468 -0.283,469 -1,470 -1,472 -3,473 -0.7,474 10.348,475 0.431,476 1.272,477 0.053,478 24,479 1,480 8.5,481 0.354,482 15.5,483 0.646,484 24.05,485 1.002,486 28.652,487 0.796,488 23.247,489 0.969,490 4.844,491 0.202,492 6.055,493 0.252,494 0.237,495 0.145,496 0.29,498 6,501 0.631,502 0.865,503 0.574,504 0.958,505 0.695,506 0.833,507 0.333,508 0.639,509 0.488,510 0.937,511 0.316,512 0.928,513 0.55,514 0.758,515 0.826,516 1.088,517 0.52,518 1.182,519 0.719,520 0.856,521 0.99,522 1.139,523 0.749,524 1.259,525 0.9,526 1.046,527 0.916,528 1.16,529 0.89,530 1.119,531 1.806,532 1.322,533 1.526,534 0.82,535 1.762,536 0.808,537 1.843,538 1.468,539 1.341,540 1.041,541 1.912,542 0.85,543 1.406,544 1.095,545 0.945,546 0.671,547 1.415,548 0.463,549 10,551 4.222,552 2.625,553 3.031,554 1.597,555 1.032,556 0.535,557 0.271,559 4756,560 25301,561 1.916,562 33.3,563 1,564 4,567 3,568 2,569 2,572 1.681,573 1.684,574 2.789,575 1.121,576 1,577 1,579 1,582 66.985,583 1.861,584 3.861,585 4.35,586 4.739,587 4.739,588 4.739,589 2.255,590 3.939,591 4.552,592 3.012,593 831.423,594 7.921,595 9228.37,596 1,597 1,598 1,599 1,600 186.117,601 1.922,602 4.421,603 0.385,605 0.098,606 0.06,607 0.07,608 0.035,609 0.034,610 0.024,611 0.016,613 0.723,614 0.67,615 1,616 1.209,617 109.255,618 -0.066,619 0.024,620 -0.033,621 0.128,622 -0.115,623 0.117,624 0.452,625 0.376,626 0.218,627 0.14,628 0.48,629 0.02,630 -0.013,631 -0.014,632 -0.119,633 -0.083,634 0.012,635 -0.147,636 -0.057,637 -0.094,638 -0.128,639 -0.168,640 -0.089,641 -0.199,642 -0.038,643 -0.201,644 0.09,645 -0.236,646 -0.033,647 -0.097,648 -0.487,649 -0.214,650 -0.24,651 0.118,652 -0.448,653 0.194,654 -0.387,655 -0.249,656 -0.168,657 -0.147,658 -0.464,659 -0.059,660 0.801,661 0.71,662 0.573,663 0.303,664 0.818,665 0.24,666 5.955,667 5.102,668 0.542,669 18.583,670 1.074,671 1.182,672 3.435,673 11.797,674 0.644,675 3.296,676 3.784,677 3.989,678 4.344,679 4.736,680 4.913,681 5.1,682 5.193,683 5.204,684 4.956,685 4.716,686 0.674,687 350.29,688 3.296,689 4.934,690 5.802,691 6.767,692 7.676,693 8.639,694 9.567,695 10.529,696 11.467,697 12.428,698 5.6,699 1,708 1,715 2,716 1,720 3,722 6,738 1,741 36,743 8,745 26,747 38,748 15,749 5,756 3,757 6,763 2,767 2,768 2,769 2,770 2,772 9,773 6,774 2,777 2,784 2,786 2,789 1,790 1,791 6,793 12,794 9,795 3,796 9,802 2,808 0.333,809 1,822 1,829 3,831 1,833 1,835 1,849 2,850 2,851 1,859 1,866 6,868 24,869 1,875 1,876 2,880 1,882 3,892 6,893 2.8,895 1,901 14.25,902 6.257,903 4.722,904 1.962,907 1.91,908 1.261,909 0.947,910 3.6,911 9.233,912 3.466,913 4.103,914 4.588,915 5.111,916 5.685,917 6.017,918 6.388,919 6.702,920 6.975,921 7.045,922 0.8,923 44,924 10.197,926 5.848,927 0.026,929 9.059,931 15.491,933 13.543,936 3.559,937 85.417,941 105.94,942 70.807,943 49.683,945 42.683,946 89.761,948 70.807,949 148.623,950 139.443,952 37.966,953 37.905,954 59.469,955 102.074,957 105.94,958 15.519,959 105.94,960 120.489,961 132.444,964 82.398,965 155.986,968 56.242,969 28.509,970 35.738,972 195.701,973 92.366,974 70.807,977 121.459,978 17.383,979 37.905,981 182.127,982 105.94,983 182.127,984 70.807,986 0.631,987 0.324,988 0.17,989 0.121,990 24,991 12,994 3,995 1.385,996 3.203,997 214.577,998 0.462,999 12,1000 100.529,1005 17.007,1006 5.081,1007 2.978,1009 182.127,1010 2.335,1011 3.816,1015 -0.083,1017 75.581,1018 358.873,1019 31,1026 0.758,1028 -1.268,1031 38.676,1032 42.566,1034 0.36,1035 0.747,1036 0.841,1037 0.917,1038 0.917,1039 0.917,1040 4.84,1041 1.254,1042 5.958,1043 4.949,1044 4.466,1045 4.787,1046 3.817,1047 6.957,1048 4.314,1049 6.145,1050 0.637,1051 7.657,1052 3.446,1053 4.691,1054 4.966,1055 4.598,1056 8.534,1057 4.365,1058 7.541,1059 0.123,1060 9.471,1061 1.989,1062 6.375,1063 6.983,1064 6.136,1065 11.577,1066 6.088,1067 8.962,1068 -0.317,1069 11.351,1070 0.347,1071 7.252,1072 7.802,1073 7.397,1074 13.858,1075 6.839,1076 10.41,1077 -0.536,1078 13.273,1079 -0.82,1080 8.615,1081 9.458,1082 8.769,1083 16.615,1084 8.219,1085 11.875,1086 -0.779,1087 15.222,1088 -1.695,1089 9.728,1090 10.564,1091 10.101,1092 19.151,1093 9.271,1094 13.356,1095 -1,1096 17.193,1097 -2.828,1098 11.007,1099 12.08,1100 11.45,1101 21.847,1102 10.556,1103 3.692,1104 -1,1105 19.179,1106 -3,1107 12.212,1108 13.332,1109 12.793,1110 24.481,1111 11.74,1112 3.264,1113 14.974,1114 21.179,1115 -3,1116 13.476,1117 14.789,1118 14.138,1119 27.17,1120 13.007,1121 3.087,1122 11.634,1123 23.189,1124 4.215,1125 14.72,1126 16.118,1127 15.482,1128 29.843,1129 14.247,1130 2.606,1131 10.183,1132 25.207,1133 3.665,1134 15.987,1135 17.552,1136 16.827,1137 32.535,1138 15.517,1139 2.393,1140 8.517,1141 27.234,1142 3.465,1143 17.251,1144 18.923,1145 18.171,1146 35.225,1147 16.781,1148 1.994,1149 7.945,1150 29.266,1151 3.084,1152 18.525,1153 20.349,1154 19.516,1155 37.922,1156 18.056,1157 1.581,1158 5.646,1159 31.304,1160 2.626,1161 19.8,1162 21.745,1163 20.86,1164 40.62,1165 19.332,1166 4895,1167 11350,1168 15.603,1169 23.182,1170 42.533,1171 40.177,1172 43.104,1173 41.731,1174 41.264,1175 48.377,1176 19.947,1177 139.26,1178 37.828,1179 5.797,1180 6.491,1181 7.21,1182 5.71,1183 5.692,1184 7.215,1185 5.357,1186 23.609,1187 5.621,1188 16.726,1189 1.636,1190 1.545,1191 1.658,1192 1.605,1193 1.587,1194 1.861,1195 0.767,1196 5.356,1197 1.455,1198 4.085,1199 4.114,1200 4.042,1201 4.007,1202 8.517,1203 4.01,1204 3.728,1205 3.759,1206 3.697,1207 3.602,1208 8.509,1209 3.615,1210 3.558,1211 3.596,1212 3.572,1213 3.331,1214 7.999,1215 3.367,1216 3.297,1217 3.349,1218 3.285,1219 3.113,1220 7.999,1221 3.108,1222 3.253,1223 3.334,1224 3.113,1225 2.974,1226 7.999,1227 3.019,1228 2.891,1229 2.95,1230 2.819,1231 2.596,1232 7.999,1233 2.652,1234 2.749,1235 2.819,1236 2.632,1237 2.463,1238 6.476,1239 2.49,1240 2.712,1241 2.793,1242 2.597,1243 2.344,1244 5.043,1245 2.415,1246 0.186,1247 0.173,1248 0.305,1249 0.18,1250 0.142,1251 4.839,1252 0.162,1253 4.491,1254 0.148,1255 7.934,1256 0.576,1257 4.67,1258 0.139,1259 3.692,1260 4.215,1261 3.847,1262 14.974,1263 3.621,1264 2.04,1265 2.015,1266 2.131,1267 2.138,1268 1.453,1269 2.136,1270 1.672,1271 1.644,1272 1.775,1273 1.824,1274 0.901,1275 1.804,1276 1.402,1277 1.372,1278 1.548,1279 1.66,1280 0.838,1281 1.59,1282 1.261,1283 1.195,1284 1.475,1285 1.473,1286 0.591,1287 1.494,1288 1.086,1289 1.038,1290 1.273,1291 1.439,1292 0.357,1293 1.367,1294 0.706,1295 0.662,1296 1.023,1297 1.092,1299 1.041,1300 0.642,1301 0.58,1302 0.9,1303 1.022,1305 0.991,1306 0.577,1307 0.46,1308 0.808,1309 0.944,1311 0.963,1312 3.97,1314 5.416,1316 7.038,1318 8.755,1320 10.533,1324 77.881,1326 6.069,1327 9.427,1328 -1.001,1332 -1.177,1334 -11.341,1340 24.272,1341 66.985,1342 138.998,1343 156.608,1344 170.608,1345 170.608,1346 170.608,1347 84.969,1348 7.323,1349 59.14,1350 59.14,1351 18,1352 12.914,1353 3.17,1354 2.585,1355 38.728,1356 65,1357 72,1358 0.303,1359 142.612,1360 274.09,1361 339.734,1362 12285,1363 16.7,1364 17.914,1365 0.746,1366 0.502,1367 12.914,1368 12.041,1369 10.9,1370 0.419,1371 0.268,1372 6.769,1373 10.134,1374 6.747,1375 5.405,1376 8.542,1377 6.961,1378 12.66,1379 0.294,1380 0.138,1381 8.346,1382 5.953,1383 8.444,1384 0.159,1385 0.082,1386 7.047,1387 4.323,1388 7.256,1389 0.095,1390 0.045,1391 6.708,1392 3.411,1393 6.925,1394 0.061,1395 0.023,1396 5.107,1397 2.647,1398 0.442,1399 71.133,1400 0.253,1401 22.301,1402 0.954,1403 138,1404 775.774,1405 177.662,1406 585.221,1407 729.19,1408 534,1409 165,1410 486.692,1411 189.365,1412 453.177,1413 705.14,1414 424,1415 5.523}
{0 CHEMBL591470,1 1.678,2 5.867,3 0.053,4 0.003,5 53.126,6 8.435,8 3.436,9 3.51,10 3.361,11 2.858,12 4.557,13 2.839,14 4.042,15 4.169,16 3.571,17 3.149,18 5.503,19 3.107,20 3.933,21 4.046,22 3.464,23 3.23,24 5.228,25 3.139,26 4.164,27 4.265,28 3.397,29 3.176,30 5.598,31 3.132,32 4.105,33 4.274,34 3.268,35 3.158,36 5.238,37 3.039,38 4.078,39 4.277,40 3.108,41 2.957,42 5.562,43 2.876,44 3.847,45 4.13,46 2.349,47 2.678,48 4.804,49 2.522,50 3.585,51 3.873,52 1.185,53 2.154,54 4.533,55 1.906,56 0.271,57 0.338,58 8.688,59 3.293,60 17.335,61 3.063,62 1.027,63 0.463,64 14.898,65 4.828,66 67.92,67 4.733,68 0.484,69 0.496,70 16.656,71 6.103,72 33.657,73 4.922,74 1.039,75 0.488,76 18.619,77 5.336,78 91.572,79 4.365,80 0.781,81 0.496,82 18.763,83 5.417,84 72.936,85 5.281,86 0.946,87 0.437,88 16.999,89 4.547,90 91.321,91 5.622,92 0.456,93 0.345,94 13.088,95 3.436,96 38.689,97 4.958,98 0.494,99 0.211,100 11.1,101 2.237,102 53.611,103 3.191,104 33,105 21,106 0.339,107 0.595,108 0.767,109 0.767,110 0.767,111 0.767,112 2.794,113 1.152,114 -1.93,115 -1.98,116 -1.98,121 28.6,122 1,123 1,126 2,127 1,138 1,140 1,160 1,176 1,179 7,180 5,187 1,192 2,200 1,205 2,206 8,219 3,231 6,281 215,282 9.638,283 9.638,284 9.638,285 9.638,286 9.638,287 9.026,288 10.217,289 5.347,290 9.843,291 7.15,292 7.15,293 7.15,294 7.15,295 7.15,296 6.032,297 10.865,298 2.285,299 7.458,300 3.129,301 1.861,302 1.009,303 1.009,304 1.009,305 1.009,306 3.397,311 1,312 1,313 169,314 3.606,317 46.836,325 0.844,326 27.147,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 35.667,338 88,339 4.55,340 3.756,341 6.98,342 4.268,343 3.286,344 3.922,345 1.674,346 11.755,347 3.223,348 4.259,349 3.367,350 6.367,351 3.894,352 2.911,353 3.639,354 0.765,355 9.549,356 2.851,357 3.249,358 2.728,359 4.876,360 2.84,361 1.906,362 2.326,364 5.162,365 1.758,366 2.32,367 1.972,368 3.807,369 2.136,370 1.139,371 1.251,373 2.609,374 1.12,375 1.825,376 1.476,377 3.418,378 1.688,379 0.797,380 0.807,382 2.014,383 0.701,384 1.618,385 1.296,386 3.414,387 1.477,388 0.618,389 0.618,391 0.828,392 0.525,393 1.418,394 0.895,395 3.076,396 1.11,397 0.236,398 0.25,400 0.322,401 0.203,402 0.901,403 0.435,404 2.348,405 0.464,406 -0.499,407 -0.579,409 -1.258,410 -0.469,411 0.668,412 -0.016,413 1.854,414 0.343,415 -0.691,416 -0.898,418 -1.523,419 -0.712,421 -0.779,422 1.574,423 -0.321,424 -1.276,425 -1.566,427 -3.562,428 -1.221,430 -1.149,431 1.327,432 -0.452,433 -1.412,434 -1.618,436 -3.718,437 -1.296,438 -0.618,439 -1.361,440 1.198,441 -0.677,442 -1.618,443 -1.708,445 -4.792,446 -1.525,447 -0.638,448 -1.414,449 0.684,450 -0.687,451 -1.67,452 -1.843,454 -4.828,455 -1.58,456 -0.721,457 -1.436,458 0.586,459 -0.836,460 -1.758,461 -2,462 -0.765,463 -5.643,464 -1.735,465 -0.831,466 -1.709,467 0.493,468 -1.048,469 -1.97,470 -2.603,471 -1.674,472 -6.915,473 -1.843,474 7,475 0.467,476 0.479,477 0.032,478 14.5,479 0.967,480 4.5,481 0.3,482 10,483 0.667,484 11.86,485 0.791,486 18.8,487 0.671,488 10.809,489 0.721,490 3.154,491 0.21,492 3.867,493 0.258,494 0.31,495 0.143,496 0.214,501 1.012,502 1.892,503 0.74,504 1.993,505 0.74,506 1.28,507 0.754,508 0.593,509 0.667,510 0.557,511 0.547,512 0.609,513 1.088,514 1.626,515 1.546,516 1.981,517 0.92,518 1.238,519 1.765,520 0.922,521 1.52,522 1.05,523 1.894,524 1.077,525 1.352,526 1.112,527 1.26,528 1.207,529 1.375,530 1.187,531 0.491,532 0.918,533 0.804,534 0.814,535 0.631,536 1.018,537 0.622,538 0.88,539 0.588,540 0.522,541 0.633,542 0.945,543 1.112,544 0.593,545 0.929,546 0.374,547 1.385,548 0.984,549 4.5,551 2.444,552 1.375,553 0.73,554 0.42,555 0.248,556 0.082,559 1294,560 5505,561 1.803,562 46.4,564 8,569 5,572 1.535,573 1.622,574 2.623,575 -0.521,582 46.99,583 1.678,584 2.946,585 3.798,586 3.798,587 3.798,588 3.798,589 1.909,590 3.507,591 3.883,592 2.729,593 286.507,594 6.522,595 2413.05,597 1,600 134.606,601 1.782,602 3.765,603 0.3,605 0.116,606 0.069,607 0.043,608 0.032,609 0.019,610 0.014,613 0.593,614 0.5,615 1,616 1.958,617 58.219,618 -0.234,619 -0.503,620 0.337,621 -0.471,622 -0.164,623 -0.14,624 0.405,625 0.382,626 0.264,627 0.346,628 0.286,629 0.306,630 -0.135,631 -0.378,632 -0.274,633 -0.329,634 -0.026,635 -0.154,636 -0.419,637 0.062,638 -0.48,639 0.017,640 -0.395,641 -0.219,642 -0.361,643 -0.11,644 -0.236,645 -0.122,646 -0.332,647 -0.222,648 0.43,649 -0.041,650 0.048,651 -0.079,652 0.359,653 -0.078,654 0.023,655 -0.082,656 0.133,657 -0.008,658 0.055,659 0.036,660 -0.233,661 0.056,662 -0.137,663 0.076,664 -0.267,665 -0.107,666 4.387,667 4.572,668 0.333,669 7.378,670 1.04,671 1.139,672 0.697,673 0.485,674 0.634,675 2.773,676 3.091,677 3.258,678 3.296,679 3.091,680 3.045,681 2.833,682 2.485,683 2.079,684 1.099,685 3.95,686 0.604,687 236.18,688 2.773,689 4.29,690 5.106,691 5.974,692 6.806,693 7.676,694 8.513,695 9.384,696 10.222,697 11.092,741 28,743 3,745 15,747 28,748 8,752 3,756 1,757 1,763 1,767 1,770 1,772 3,773 5,777 3,782 2,786 3,788 1,790 1,793 13,794 6,796 7,797 1,808 1,809 6,816 1,817 1,828 1,846 1,849 1,850 1,859 1,864 3,868 15,876 2,878 4,893 21.4,896 2,897 3,898 1,901 9.25,902 5.95,903 3.514,904 1.425,905 1,907 0.688,908 1.132,909 0.885,910 4.2,911 5.881,912 2.944,913 3.434,914 3.714,915 3.892,916 3.85,917 4.043,918 3.807,919 3.367,920 3.219,921 2.197,922 0.75,923 20,924 5.712,925 -0.001,926 2.457,927 0.026,929 8.354,931 10.086,933 7.568,934 -0.001,936 2.854,937 42.806,938 0.001,941 169.588,942 53.339,945 77.173,947 16.563,948 53.339,949 230.197,951 30.591,952 7.127,954 95.171,955 14.185,957 153.024,959 153.024,960 53.339,961 77.173,962 16.563,964 94.169,965 115.264,966 20.765,968 15.952,969 32.143,970 21.807,972 153.024,973 77.173,974 53.339,975 16.563,976 16.563,977 153.024,978 22.747,979 30.591,981 77.173,982 153.024,983 77.173,984 69.902,986 0.583,987 0.357,988 0.155,989 0.055,990 9,991 5,992 0.143,993 4,995 1,996 2.547,997 89.622,999 5,1000 54.603,1005 12.563,1006 5.015,1007 2.971,1009 77.173,1018 300.099,1019 18,1024 22.718,1028 0.125,1030 -3.582,1031 29.124,1032 31.887,1034 0.349,1035 0.613,1036 0.79,1037 0.79,1038 0.79,1039 0.79,1040 4.205,1041 -0.499,1042 5.176,1043 0.322,1044 3.761,1045 4.111,1046 2.051,1047 6.052,1048 3.684,1049 5.447,1050 -0.691,1051 6.81,1052 -1.258,1053 3.761,1054 4.369,1056 7.509,1057 3.727,1058 6.828,1059 -1.276,1060 8.558,1061 -1.523,1062 5.525,1063 6.293,1064 2.857,1065 10.402,1066 5.412,1067 8.248,1068 -1.412,1069 10.37,1070 -3.562,1071 6.293,1072 7.266,1074 12.541,1075 6.203,1076 9.695,1077 -1.618,1078 12.221,1079 -3.718,1080 7.63,1081 8.795,1082 3.817,1083 15.093,1084 7.492,1085 11.158,1086 -1.67,1087 14.095,1088 -4.792,1089 8.658,1090 9.999,1092 17.434,1093 8.523,1094 12.629,1095 -1.758,1096 15.984,1097 -4.828,1098 9.872,1099 11.411,1100 4.827,1101 19.905,1102 9.705,1103 3.286,1104 -1.97,1105 17.883,1106 -5.643,1107 10.989,1108 12.698,1110 22.313,1111 10.813,1112 2.911,1113 11.755,1114 19.789,1115 -6.915,1116 12.169,1117 14.07,1118 5.851,1119 24.766,1120 11.968,1121 1.906,1122 9.549,1123 21.699,1124 3.922,1125 13.318,1126 15.391,1128 27.201,1129 13.102,1130 1.139,1131 5.162,1132 23.614,1133 3.639,1134 14.49,1135 16.749,1136 6.88,1137 29.653,1138 14.253,1139 0.797,1140 2.609,1141 25.532,1142 2.326,1143 15.653,1144 18.085,1146 32.1,1147 15.399,1148 0.618,1149 2.014,1150 27.452,1151 1.251,1152 16.825,1153 19.437,1154 7.91,1155 34.554,1156 16.551,1157 0.236,1158 0.828,1159 29.374,1160 0.807,1161 17.996,1162 20.781,1164 37.007,1165 17.702,1166 1474,1167 3137,1168 8.841,1169 17.739,1170 21.678,1171 23.455,1172 24.676,1173 21.573,1174 21.786,1175 25.628,1176 4.878,1177 64.477,1178 20.763,1179 5.381,1180 5.465,1181 6.487,1182 5.315,1183 5.256,1184 6.525,1185 3.349,1186 18.67,1187 5.066,1188 9.492,1189 1.445,1190 1.564,1191 1.645,1192 1.438,1193 1.452,1194 1.709,1195 0.325,1196 4.298,1197 1.384,1198 3.886,1199 3.891,1200 4.436,1201 3.864,1202 7.433,1203 3.748,1204 3.643,1205 3.63,1206 3.767,1207 3.639,1208 7.397,1209 3.437,1210 3.263,1211 3.334,1212 3.092,1213 3.053,1214 4.731,1215 3.04,1216 3.168,1217 3.255,1218 2.912,1219 2.868,1220 4.53,1221 2.859,1222 2.9,1223 2.973,1224 2.777,1225 2.741,1226 4.315,1227 2.637,1228 2.892,1229 2.905,1230 2.763,1231 2.596,1232 4.286,1233 2.63,1234 2.542,1235 2.623,1236 2.294,1237 2.242,1238 3.583,1239 2.246,1240 2.056,1241 2.119,1242 1.824,1243 1.681,1244 3.354,1245 1.679,1246 0.303,1247 0.25,1248 0.465,1249 0.285,1250 0.219,1251 4.55,1252 0.261,1253 3.756,1254 0.112,1255 6.98,1256 0.784,1257 4.268,1258 0.215,1259 3.286,1260 3.922,1261 1.674,1262 11.755,1263 3.223,1264 1.702,1265 1.687,1266 1.852,1267 1.835,1268 1.123,1269 1.86,1270 1.44,1271 1.43,1272 1.623,1273 1.642,1274 0.773,1275 1.697,1276 1.308,1277 1.267,1278 1.592,1279 1.599,1280 0.657,1281 1.589,1282 1.144,1283 1.049,1284 1.557,1285 1.474,1286 0.564,1287 1.503,1288 1.028,1289 0.98,1290 1.258,1291 1.337,1292 0.313,1293 1.323,1294 0.856,1295 0.786,1296 0.708,1297 1.005,1298 0.197,1299 1.139,1300 0.218,1301 0.131,1302 0.509,1303 0.623,1305 0.652,1306 0.016,1308 0.105,1309 0.368,1311 0.336,1312 3.434,1314 4.745,1315 2.398,1316 6.248,1317 4.595,1318 7.824,1319 6.555,1320 9.434,1322 3.928,1328 0.761,1330 18.855,1340 16.9,1341 46.99,1342 82.5,1343 106.341,1344 106.341,1345 106.341,1346 106.341,1347 35.394,1348 5.193,1349 71.06,1350 80.87,1351 5,1352 11.641,1353 2,1354 2,1355 31.005,1356 35,1357 28,1358 0.464,1359 112.167,1360 201.89,1361 265.449,1362 744,1364 11.475,1365 0.765,1366 0.647,1367 11.725,1368 9.705,1369 7.021,1370 0.468,1371 0.384,1372 4.262,1373 5.554,1374 3.96,1375 3.328,1376 7.801,1377 5.762,1378 6.271,1379 0.299,1380 0.221,1381 7.632,1382 4.632,1383 5.181,1384 0.207,1385 0.134,1386 6.442,1387 3.344,1388 3.487,1389 0.134,1390 0.072,1391 4.221,1392 1.87,1393 1.733,1394 0.083,1395 0.042,1396 2.231,1397 0.878,1398 0.688,1399 54.018,1400 0.336,1401 14.994,1402 1.381,1403 72,1404 358.026,1405 125.988,1406 323.657,1407 420.31,1408 300,1409 82,1410 256.693,1411 143.057,1412 287.493,1413 425.35,1414 264,1415 4.155}
{0 CHEMBL59192,1 1.406,2 7,3 0.926,4 0.858,5 62.86,6 6.48,7 0.375,8 3.572,9 3.702,10 3.005,11 3.031,12 4.661,13 2.992,14 4.095,15 4.307,16 3.328,17 3.363,18 5.151,19 3.314,20 4.33,21 4.523,22 3.323,23 3.581,24 5.324,25 3.479,26 4.497,27 4.769,28 3.284,29 3.649,30 5.375,31 3.488,32 4.448,33 4.709,34 3.141,35 3.548,36 5.399,37 3.377,38 4.328,39 4.616,40 2.83,41 3.262,42 5.207,43 3.079,44 3.895,45 4.17,46 2.607,47 2.914,48 4.92,49 2.769,50 3.736,51 3.969,52 1.983,53 2.643,54 4.899,55 2.446,56 0.018,57 0.449,58 7.933,59 3.097,60 6.469,61 4.39,62 0.228,63 0.683,64 14.054,65 4.473,66 23.109,67 6.701,68 0.202,69 0.832,70 17.68,71 6.299,72 27.363,73 8.874,74 0.195,75 0.931,76 20.475,77 7.719,78 26.829,79 11.289,80 0.149,81 0.852,82 19.601,83 7.304,84 34.222,85 10.503,86 0.3,87 0.675,88 17.929,89 5.791,90 34.879,91 8.429,92 0.118,93 0.461,94 11.402,95 3.774,96 22.212,97 5.523,98 0.197,99 0.351,100 10.048,101 3.078,102 38.928,103 4.241,104 35,105 22,106 0.266,107 0.586,108 0.772,109 0.816,110 0.816,111 0.816,112 2.852,113 1.004,114 -0.39,115 -0.52,116 -0.68,121 38.2,122 1,126 2,127 1,136 1,137 1,144 4,146 2,160 1,176 3,179 1,180 4,187 3,189 3,192 1,200 1,203 2,206 3,208 1,214 4,216 1,219 1,227 4,232 2,234 1,239 3,241 1,244 1,251 1,256 1,264 1,269 1,277 1,281 268,282 10.102,283 10.102,284 10.102,285 10.102,286 10.102,287 9.079,288 14.522,289 6.064,290 10.335,291 7.861,292 7.861,293 7.861,294 7.861,295 7.861,296 6.322,297 19.823,298 2.758,299 8.264,300 3.681,301 1.991,302 1.008,303 0.772,304 0.772,305 0.772,306 3.466,311 1,312 1,313 214,314 3.606,318 56.792,325 1,326 12.635,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 34.5,338 112,339 4.497,340 3.736,341 7.296,342 4.299,343 3.379,344 3.886,345 2.443,346 12.425,347 3.11,348 3.875,349 3.648,350 5.491,351 3.509,352 2.571,353 3.173,354 1.26,355 7.399,356 2.396,357 3.423,358 2.659,359 4.821,360 3.015,361 2.017,362 2.609,363 0.286,364 5.154,365 1.99,366 2.939,367 1.865,368 4.355,369 2.521,370 1.541,371 2.054,372 0.245,373 4.141,374 1.501,375 2.672,376 1.463,377 3.512,378 2.169,379 1.176,380 1.681,382 2.557,383 1.167,384 2.508,385 1.131,386 3.318,387 1.987,388 1,389 1.369,391 1.737,392 0.986,393 1.183,394 0.746,395 2.664,396 0.783,397 -0.152,398 -0.185,400 -0.388,401 -0.139,402 0.876,403 0.118,404 2.509,405 0.446,406 -0.518,407 -0.691,409 -0.811,410 -0.496,411 0.649,412 -0.306,413 2,414 0.224,415 -0.749,416 -0.962,418 -1.98,419 -0.723,420 0.543,421 -0.555,422 2,423 0.101,424 -1,425 -1,427 -2,428 -0.9,429 0.259,430 -0.6,431 1.699,432 -0.034,433 -1,434 -1.227,436 -2.703,437 -0.958,439 -0.702,440 1.558,441 -0.1,442 -1,443 -1.541,444 -0.4,445 -3,446 -1.1,447 -0.475,448 -1.212,449 1.04,450 -0.65,451 -1.586,452 -1.85,453 -0.4,454 -4.713,455 -1.473,456 -0.5,457 -1.295,458 1,459 -0.861,460 -1.766,461 -2.03,462 -0.705,463 -5.114,464 -1.591,465 -0.675,466 -1.614,467 0.455,468 -1,469 -1.913,470 -2.287,471 -0.998,472 -5.478,473 -1.769,474 7.567,475 0.473,476 0.546,477 0.034,478 18.75,479 1.172,480 9,481 0.563,482 9.75,483 0.609,484 11.154,485 0.697,486 18.533,487 0.545,488 13.424,489 0.839,490 4.132,491 0.258,492 3.322,493 0.208,494 0.308,495 0.053,496 0.198,501 0.786,502 1.649,503 0.927,504 1.37,505 0.685,506 1.194,507 0.897,508 0.945,509 0.844,510 0.827,511 0.437,512 0.798,513 1.38,514 1.191,515 1.276,516 1.156,517 1.093,518 1.195,519 0.481,520 0.963,521 0.86,522 1.005,523 0.43,524 0.988,525 0.763,526 1.142,527 1.01,528 1.19,529 0.885,530 1.147,531 1.234,532 0.821,533 1.008,534 0.847,535 0.906,536 0.899,537 1.05,538 0.933,539 0.952,540 0.986,541 1.12,542 0.952,543 2.294,544 1.068,545 1.688,546 1.171,547 3.383,548 1.339,549 5,551 2,552 1.375,553 0.72,554 0.5,555 0.385,556 0.09,557 0.049,559 1578,560 4115,561 1.815,562 52.9,564 15,568 3,572 1.554,573 1.641,574 2.837,575 -0.795,577 1,579 1,582 47.809,583 1.406,584 3.096,585 4.08,586 4.315,587 4.315,588 4.315,589 2.227,590 3.375,591 3.968,592 2.923,593 350.704,594 6.698,595 3041.12,597 1,600 172.974,601 1.749,602 3.867,603 0.313,605 0.091,606 0.065,607 0.036,608 0.031,609 0.035,610 0.01,611 0.016,613 0.598,614 0.83,615 1,616 1.774,617 64.269,618 0.018,619 -0.386,620 0.047,621 -0.209,622 -0.089,623 -0.1,624 0.156,625 0.215,626 0.17,627 0.161,628 0.228,629 0.179,630 -0.228,631 -0.098,632 -0.277,633 -0.113,634 -0.182,635 -0.192,636 0.1,637 0.024,638 0.057,639 -0.005,640 0.082,641 0.017,642 -0.002,643 -0.189,644 -0.076,645 -0.192,646 -0.048,647 -0.151,648 -0.043,649 0.036,650 -0.017,651 0.056,652 -0.056,653 0.022,654 -0.035,655 -0.006,656 0.024,657 -0.057,658 0.092,659 -0.009,660 -0.457,661 -0.212,662 -0.625,663 -0.264,664 -0.586,665 -0.449,666 1.967,667 3.856,668 0.375,669 9.844,670 0.993,671 1.131,672 -0.839,673 0.704,674 0.629,675 2.833,676 3.135,677 3.219,678 3.367,679 3.434,680 3.332,681 3.367,682 2.89,683 2.565,684 1.386,685 4.286,686 0.586,687 220.32,688 2.833,689 4.344,690 5.13,691 5.999,692 6.817,693 7.689,694 8.521,695 9.393,696 10.233,697 11.102,698 2.9,712 1,715 4,720 2,722 6,741 34,743 8,744 1,745 16,747 34,748 13,749 6,750 2,751 4,756 1,757 1,763 1,772 9,773 4,777 2,778 1,782 1,784 1,786 1,790 1,793 18,794 2,796 3,802 1,803 1,807 1,808 1,809 2,829 1,846 1,848 1,849 1,859 1,864 3,868 16,876 1,878 1,883 1,893 5.9,896 1,898 1,901 9.75,902 7,903 3.625,904 1.951,907 1.39,908 1.256,909 0.87,910 3.993,911 6.811,912 3.091,913 3.57,914 3.917,915 4.42,916 4.843,917 4.857,918 5.094,919 4.857,920 4.66,921 3.27,922 0.8,923 21,924 5.865,926 2.268,927 0.026,929 7.844,931 11.103,933 8.299,936 2.344,937 37.5,938 0.002,941 211.88,942 106.063,945 36.145,948 106.063,949 248.025,951 25.618,952 17.873,953 47.381,954 32.336,955 19,957 211.88,959 211.88,960 106.063,961 36.145,964 211.88,965 36.145,968 10.931,969 85.656,970 9.476,972 211.88,973 36.145,974 106.063,977 211.88,978 17.297,979 72.999,981 51.912,982 211.88,983 36.145,984 106.063,986 0.573,987 0.302,988 0.158,989 0.08,990 9,991 5,992 0.147,993 5,995 1,996 2.67,997 97.597,999 6,1000 62,1005 12.627,1006 5.059,1007 3.582,1009 36.145,1010 7.552,1015 1.666,1018 354.088,1019 21,1020 3.741,1024 10.856,1026 1.874,1028 -0.3,1031 33.767,1032 38.446,1034 0.276,1035 0.609,1036 0.802,1037 0.848,1038 0.848,1039 0.848,1040 4.311,1041 -0.518,1042 5.187,1043 -0.388,1044 3.807,1045 4.248,1046 2.603,1047 6.038,1048 3.702,1049 5.53,1050 -0.749,1051 6.792,1052 -0.811,1053 3.761,1054 4.159,1055 2.394,1056 7.445,1057 3.54,1058 6.847,1059 -1,1060 8.528,1061 -1.98,1062 5.517,1063 6.316,1064 3.9,1065 10.4,1066 5.254,1067 8.2,1068 -1,1069 10.345,1070 -2,1071 6.236,1072 6.917,1073 4.31,1074 12.586,1075 5.839,1076 9.584,1077 -1,1078 12.214,1079 -2.703,1080 7.613,1081 8.681,1082 5.503,1083 15.218,1084 7.168,1085 10.991,1086 -1.586,1087 14.119,1088 -3,1089 8.636,1090 9.609,1091 6.169,1092 17.638,1093 8.067,1094 12.416,1095 -1.766,1096 16.048,1097 -4.713,1098 9.893,1099 11.193,1100 7.213,1101 20.19,1102 9.263,1103 3.379,1104 -1.913,1105 17.993,1106 -5.114,1107 11.032,1108 12.296,1109 7.995,1110 22.678,1111 10.295,1112 2.571,1113 12.425,1114 19.951,1115 -5.478,1116 12.254,1117 13.785,1118 8.964,1119 25.208,1120 11.445,1121 2.017,1122 7.399,1123 21.917,1124 3.886,1125 13.439,1126 14.989,1127 9.802,1128 27.717,1129 12.534,1130 1.541,1131 5.154,1132 23.889,1133 3.173,1134 14.653,1135 16.424,1136 10.734,1137 30.24,1138 13.67,1139 1.176,1140 4.141,1141 25.866,1142 2.609,1143 15.856,1144 17.688,1145 11.6,1146 32.756,1147 14.783,1148 1,1149 2.557,1150 27.845,1151 2.054,1152 17.069,1153 19.09,1154 12.512,1155 35.277,1156 15.916,1157 -0.152,1158 1.737,1159 29.826,1160 1.681,1161 18.279,1162 20.391,1163 13.391,1164 37.796,1165 17.04,1166 1786,1167 2966,1168 9.534,1169 21.387,1170 24.078,1171 24.298,1172 24.584,1173 23.451,1174 23.367,1175 29.548,1176 8.467,1177 66.825,1178 22.3,1179 5.27,1180 5.736,1181 7.012,1182 5.309,1183 5.379,1184 6.886,1185 4.174,1186 19.649,1187 5.11,1188 10.215,1189 1.505,1190 1.519,1191 1.536,1192 1.466,1193 1.46,1194 1.847,1195 0.529,1196 4.177,1197 1.394,1198 3.994,1199 4.04,1200 3.929,1201 3.875,1202 7.434,1203 3.883,1204 3.677,1205 3.726,1206 3.569,1207 3.514,1208 4.836,1209 3.514,1210 3.482,1211 3.514,1212 3.377,1213 3.253,1214 4.699,1215 3.277,1216 3.331,1217 3.413,1218 3.148,1219 3.153,1220 4.289,1221 3.142,1222 2.874,1223 3.009,1224 2.713,1225 2.714,1226 4.092,1227 2.705,1228 2.861,1229 2.917,1230 2.553,1231 2.618,1232 3.656,1233 2.577,1234 2.736,1235 2.815,1236 2.499,1237 2.595,1238 3.491,1239 2.57,1240 2.581,1241 2.703,1242 2.234,1243 2.337,1244 3.467,1245 2.293,1246 0.281,1247 0.233,1248 0.456,1249 0.269,1250 0.211,1251 4.497,1252 0.243,1253 3.736,1254 0.153,1255 7.296,1256 0.777,1257 4.299,1258 0.194,1259 3.379,1260 3.886,1261 2.443,1262 12.425,1263 3.11,1264 1.939,1265 1.903,1266 2.068,1267 2.096,1268 1.272,1269 2.091,1270 1.649,1271 1.592,1272 1.854,1273 1.834,1274 0.94,1275 1.838,1276 1.408,1277 1.367,1278 1.686,1279 1.658,1280 0.692,1281 1.663,1282 1.342,1283 1.26,1284 1.654,1285 1.556,1286 0.639,1287 1.595,1288 0.934,1289 0.804,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.855,1295 0.801,1296 1.148,1297 1.066,1298 0.181,1299 1.082,1300 0.756,1301 0.688,1302 1.114,1303 0.992,1304 0.135,1305 1.048,1306 0.631,1307 0.51,1308 1.002,1309 0.898,1310 0.072,1311 0.942,1312 3.497,1314 4.796,1316 6.286,1318 7.867,1320 9.495,1322 5.555,1328 0.823,1330 5.053,1335 0.679,1340 19.929,1341 47.809,1342 105.269,1343 138.709,1344 146.709,1345 146.709,1346 146.709,1347 28.561,1348 5.421,1349 26.3,1350 26.3,1351 6,1352 11.652,1353 3.17,1354 2.585,1355 34.395,1356 40,1357 40,1358 0.446,1359 129.691,1360 226.9,1361 308.206,1362 1048,1364 12.182,1365 0.761,1366 0.632,1367 12.182,1368 10.117,1369 7.454,1370 0.466,1371 0.335,1372 5.258,1373 7.105,1374 4.994,1375 4.277,1376 7.454,1377 5.354,1378 7.098,1379 0.323,1380 0.204,1381 7.098,1382 4.498,1383 4.587,1384 0.191,1385 0.105,1386 4.587,1387 2.532,1388 3.73,1389 0.133,1390 0.058,1391 3.73,1392 1.625,1393 2.475,1394 0.082,1395 0.029,1396 2.475,1397 0.864,1398 0.669,1399 46.936,1400 0.324,1401 16.058,1402 1.304,1403 76,1404 217.804,1405 84.974,1406 207.834,1407 275.17,1408 192,1409 84,1410 199.163,1411 92.315,1412 200.67,1413 283.28,1414 186,1415 6}
{0 CHEMBL592433,1 1.656,2 5.467,3 -0.193,4 0.037,5 54.012,6 8.292,8 3.448,9 3.528,10 3.355,11 3.001,12 4.486,13 2.93,14 4.087,15 4.218,16 3.63,17 3.392,18 5.386,19 3.303,20 4.279,21 4.423,22 3.693,23 3.59,24 5.411,25 3.475,26 4.415,27 4.565,28 3.569,29 3.513,30 5.687,31 3.407,32 4.316,33 4.532,34 3.109,35 3.202,36 5.401,37 3.052,38 3.933,39 4.224,40 2.488,41 2.587,42 5.296,43 2.421,44 3.083,45 3.42,46 1.487,47 1.901,48 3.861,49 1.681,50 2.626,51 2.918,52 0.539,53 1.067,54 3.651,55 0.935,56 0.184,57 0.375,58 8.324,59 3.744,60 16.297,61 3.394,62 0.693,63 0.593,64 16.024,65 6.288,66 56.587,67 5.938,68 0.548,69 0.74,70 21.333,71 8.269,72 52.735,73 7.33,74 0.897,75 0.745,76 23.423,77 7.947,78 88.5,79 7.483,80 0.808,81 0.61,82 23.249,83 6.44,84 89.209,85 6.847,86 0.726,87 0.364,88 15.438,89 3.731,90 88.344,91 5.257,92 0.127,93 0.17,94 6.311,95 1.783,96 12.236,97 2.634,98 0.2,99 0.071,100 4.541,101 0.769,102 22.894,103 0.949,104 18,105 24,106 0.331,107 0.618,108 0.851,109 0.851,110 0.851,111 0.851,112 2.798,113 1.22,114 -1.8,115 -1.86,116 -1.87,121 32.1,122 1,123 1,124 1,126 1,127 2,138 1,140 1,160 1,176 2,179 4,180 5,187 2,192 6,200 1,205 2,206 9,214 1,231 4,281 142,282 9.715,283 9.715,284 9.715,285 9.715,286 9.715,287 9.128,288 10.352,289 5.323,290 9.889,291 7.745,292 7.745,293 7.745,294 7.745,295 7.745,296 6.665,297 9.517,298 2.375,299 8,300 3.152,301 1.718,302 0.554,303 0.554,304 0.554,305 0.554,306 3.432,311 1,312 1,313 169,314 2.449,317 27.657,319 36.265,322 54.53,325 0.898,326 27.722,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 34.667,338 82,339 4.591,340 3.814,341 7.013,342 4.318,343 3.334,344 3.967,345 1.674,346 11.914,347 3.28,348 4.32,349 3.355,350 6.68,351 4.016,352 3.027,353 3.677,354 0.765,355 10.677,356 2.987,357 3.257,358 2.796,359 5.092,360 2.979,361 2.02,362 2.33,364 5.825,365 1.94,366 3.073,367 2.403,368 4.836,369 2.794,370 1.817,371 2.081,373 5.046,374 1.736,375 1.919,376 1.598,377 3.773,378 1.791,379 0.873,380 0.892,382 2.191,383 0.79,384 1.734,385 1.204,386 3.599,387 1.623,388 0.693,389 0.703,391 1.534,392 0.637,393 1.465,394 0.79,395 3.181,396 1.195,397 0.292,398 0.31,400 0.442,401 0.261,402 1.085,403 0.471,404 2.769,405 0.732,406 -0.261,407 -0.308,409 -0.721,410 -0.252,411 0.714,413 2.256,414 0.365,415 -0.633,416 -0.746,418 -1.522,419 -0.629,420 0.282,421 -0.478,422 2,423 -0.003,424 -1,425 -1.187,427 -2.862,428 -0.988,430 -1.095,431 1.852,432 -0.335,433 -1.302,434 -1.593,436 -3.649,437 -1.245,438 -0.323,439 -1.302,440 1.458,441 -0.562,442 -1.525,443 -1.7,445 -4.398,446 -1.441,447 -0.632,448 -1.362,449 1.206,450 -0.678,451 -1.664,452 -1.811,454 -5.274,455 -1.583,456 -0.72,457 -1.421,458 0.972,459 -0.825,460 -1.757,461 -2,463 -5.653,464 -1.717,465 -0.789,466 -1.688,467 0.688,468 -0.939,469 -1.915,470 -2,471 -0.765,472 -6.548,473 -1.841,474 7.167,475 0.478,476 0.531,477 0.035,478 14.5,479 0.967,480 4.5,481 0.3,482 10,483 0.667,484 13.182,485 0.879,486 18.033,487 0.644,488 9.522,489 0.635,490 2.661,491 0.177,492 4.394,493 0.293,494 0.233,495 0.14,496 0.279,501 0.902,502 1.57,503 0.769,504 1.69,505 0.66,506 1.145,507 0.74,508 0.93,509 0.895,510 0.994,511 0.536,512 0.835,513 1.097,514 1.194,515 1.266,516 1.364,517 0.933,518 1.051,519 1.263,520 1.146,521 1.293,522 1.145,523 1.336,524 1.202,525 1.344,526 1.027,527 1.168,528 1.003,529 1.461,530 1.174,531 0.457,532 0.512,533 0.495,534 0.327,535 0.723,536 0.687,537 0.263,538 0.881,539 0.378,540 0.531,541 0.266,542 0.833,543 1.779,545 0.933,546 0.009,547 1.969,548 0.415,549 4.5,551 2.444,552 1.847,553 1.07,554 0.438,555 0.141,556 0.028,559 1304,560 4803,561 1.94,562 46.4,564 7,569 6,572 1.539,573 1.748,574 2.489,575 -0.586,577 1,582 46.361,583 1.656,584 3.089,585 4.253,586 4.253,587 4.253,588 4.253,589 1.966,590 3.507,591 3.883,592 2.531,593 265.778,594 6.545,595 2133.6,597 1,600 134.606,601 1.806,602 3.781,603 0.281,605 0.102,606 0.071,607 0.051,608 0.044,609 0.024,610 0.014,613 0.586,614 0.67,615 1,616 1.029,617 56.34,618 -0.175,619 -0.261,620 0.295,621 -0.246,622 -0.108,623 -0.036,624 0.274,625 0.151,626 0.106,627 0.123,628 0.212,629 0.155,630 -0.154,631 -0.083,632 -0.173,633 -0.089,634 -0.09,635 -0.033,636 -0.147,637 -0.154,638 -0.315,639 -0.137,640 -0.164,641 -0.274,642 -0.317,643 -0.155,644 -0.223,645 -0.154,646 -0.296,647 -0.258,648 0.421,649 0.197,650 0.299,651 0.172,652 0.351,653 0.226,654 0.209,655 -0.13,656 0.374,657 -0.001,658 0.209,659 0.18,660 -0.456,661 0.547,662 -0.027,663 0.424,664 -0.426,665 0.369,666 3.846,667 4.939,668 0.667,669 6.898,670 1.028,671 1.131,672 0.568,673 0.322,674 0.653,675 2.833,676 3.219,677 3.466,678 3.689,679 3.738,680 3.892,681 3.892,682 3.689,683 3.434,684 2.833,685 3.445,686 0.614,687 232.19,688 2.833,689 4.394,690 5.252,691 6.163,692 7.036,693 7.948,694 8.826,695 9.737,696 10.618,697 11.527,741 28,743 3,745 16,747 29,748 9,752 3,756 2,757 3,763 1,767 1,768 1,770 1,772 3,773 6,774 1,777 3,782 2,786 3,788 1,790 1,793 13,794 5,796 6,797 1,808 0.5,809 5,816 1,818 1,828 1,830 1,833 1,846 1,849 1,850 1,859 1,864 2,868 15,876 3,878 3,880 1,893 17.9,896 2,897 2,898 1,901 8.583,902 5.617,903 3.292,904 1.617,906 1,907 0.631,908 1.108,909 0.931,910 2.823,911 6.492,912 2.996,913 3.526,914 3.871,915 4.205,916 4.317,917 4.644,918 4.654,919 4.369,920 4.263,921 3.807,922 0.75,923 26,924 5.722,925 -0.001,926 2.618,927 0.026,929 8.176,931 10.527,933 8.957,936 2.676,937 40.139,938 0.003,941 167.692,942 42.456,945 70.251,947 14.668,948 42.456,949 223.276,951 19.708,952 7.127,953 14.668,954 71.686,955 14.185,957 153.024,959 153.024,960 42.456,961 70.251,962 14.668,964 82.398,965 127.035,966 13.843,968 15.952,969 21.26,970 19.912,972 153.024,973 70.251,974 42.456,975 14.668,976 14.668,977 153.024,978 22.747,979 19.708,981 70.251,982 153.024,983 70.251,984 57.124,986 0.602,987 0.364,988 0.182,989 0.083,990 13,991 6,992 0.034,993 1,994 1,995 1.2,996 2.539,997 101.915,998 0.2,999 10,1000 58.603,1005 11.031,1006 3.838,1007 1.931,1009 70.251,1018 280.399,1019 19,1024 23.32,1028 0.539,1030 -3.04,1031 28.796,1032 31.677,1034 0.344,1035 0.643,1036 0.885,1037 0.885,1038 0.885,1039 0.885,1040 4.304,1041 -0.261,1042 5.333,1043 0.442,1044 3.892,1045 4.205,1046 2.051,1047 6.252,1048 3.833,1049 5.549,1050 -0.633,1051 6.98,1052 -0.721,1053 3.892,1054 4.443,1056 7.667,1057 3.862,1058 6.933,1059 -1,1060 8.736,1061 -1.522,1062 5.68,1063 6.375,1064 2.857,1065 10.637,1066 5.592,1067 8.351,1068 -1.302,1069 10.553,1070 -2.862,1071 6.431,1072 7.334,1074 12.759,1075 6.36,1076 9.798,1077 -1.525,1078 12.408,1079 -3.649,1080 7.796,1081 8.873,1082 3.817,1083 15.354,1084 7.688,1085 11.261,1086 -1.664,1087 14.287,1088 -4.398,1089 8.821,1090 10.08,1092 17.697,1093 8.715,1094 12.736,1095 -1.757,1096 16.181,1097 -5.274,1098 10.058,1099 11.501,1100 4.827,1101 20.191,1102 9.927,1103 3.334,1104 -1.915,1105 18.086,1106 -5.653,1107 11.182,1108 12.798,1110 22.607,1111 11.043,1112 3.027,1113 11.914,1114 19.998,1115 -6.548,1116 12.38,1117 14.18,1118 5.851,1119 25.072,1120 12.221,1121 2.02,1122 10.677,1123 21.916,1124 3.967,1125 13.541,1126 15.512,1128 27.513,1129 13.369,1130 1.817,1131 5.825,1132 23.838,1133 3.677,1134 14.729,1135 16.88,1136 6.88,1137 29.972,1138 14.539,1139 0.873,1140 5.046,1141 25.762,1142 2.33,1143 15.905,1144 18.227,1146 32.424,1147 15.699,1148 0.693,1149 2.191,1150 27.689,1151 2.081,1152 17.09,1153 19.591,1154 7.91,1155 34.883,1156 16.868,1157 0.292,1158 1.534,1159 29.618,1160 0.892,1161 18.273,1162 20.946,1164 37.341,1165 18.035,1166 1406,1167 2773,1168 9.94,1169 18.284,1170 24.096,1171 25.662,1172 26.348,1173 23.959,1174 24.112,1175 27.918,1176 4.878,1177 75.255,1178 23.261,1179 5.568,1180 5.699,1181 6.388,1182 5.391,1183 5.334,1184 6.58,1185 3.349,1186 18.914,1187 5.215,1188 8.306,1189 1.506,1190 1.604,1191 1.647,1192 1.497,1193 1.507,1194 1.745,1195 0.305,1196 4.703,1197 1.454,1198 3.975,1199 3.986,1200 4.464,1201 4.023,1202 7.433,1203 3.86,1204 3.612,1205 3.612,1206 3.777,1207 3.629,1208 7.392,1209 3.465,1210 3.338,1211 3.403,1212 3.17,1213 3.171,1214 4.686,1215 3.155,1216 3.172,1217 3.243,1218 3.001,1219 2.885,1220 4.468,1221 2.889,1222 2.941,1223 2.981,1224 2.824,1225 2.736,1226 4.29,1227 2.688,1228 2.726,1229 2.784,1230 2.565,1231 2.492,1232 3.766,1233 2.461,1234 2.489,1235 2.548,1236 2.249,1237 2.176,1238 3.591,1239 2.194,1240 2.046,1241 2.156,1242 1.761,1243 1.713,1244 3.164,1245 1.664,1246 0.287,1247 0.238,1248 0.438,1249 0.27,1250 0.208,1251 4.591,1252 0.248,1253 3.814,1254 0.105,1255 7.013,1256 0.745,1257 4.318,1258 0.205,1259 3.334,1260 3.967,1261 1.674,1262 11.914,1263 3.28,1264 1.755,1265 1.717,1266 1.919,1267 1.86,1268 1.343,1269 1.904,1270 1.664,1271 1.659,1272 1.726,1273 1.767,1274 1.02,1275 1.822,1276 1.295,1277 1.262,1278 1.576,1279 1.567,1280 0.726,1281 1.576,1282 1.12,1283 1.047,1284 1.442,1285 1.438,1286 0.574,1287 1.446,1288 1.01,1289 0.939,1290 1.24,1291 1.27,1292 0.361,1293 1.305,1294 0.687,1295 0.629,1296 0.871,1297 0.907,1298 0.123,1299 0.983,1300 0.188,1301 0.081,1302 0.468,1303 0.581,1305 0.632,1306 0.093,1307 0.042,1308 0.378,1309 0.443,1311 0.448,1312 3.497,1314 4.86,1315 2.398,1316 6.402,1317 4.844,1318 8.017,1319 7.018,1320 9.672,1322 2.99,1328 1.285,1330 15.041,1332 0.003,1340 17.185,1341 46.361,1342 86.5,1343 119.096,1344 119.096,1345 119.096,1346 119.096,1347 31.389,1348 5.861,1349 61.83,1350 71.64,1351 12,1352 12.048,1353 2,1354 2,1355 23.362,1356 34,1357 27,1358 0.408,1359 110.37,1360 198.04,1361 261.063,1362 1917,1364 11.052,1365 0.737,1366 0.639,1367 11.302,1368 9.582,1369 7.055,1370 0.441,1371 0.407,1372 4.806,1373 5.75,1374 4.503,1375 3.701,1376 7.836,1377 6.506,1378 6.776,1379 0.282,1380 0.245,1381 8.086,1382 5.879,1383 5.638,1384 0.182,1385 0.15,1386 6.846,1387 4.643,1388 4.559,1389 0.117,1390 0.087,1391 5.494,1392 3.401,1393 3.004,1394 0.073,1395 0.057,1396 3.858,1397 2.351,1398 0.582,1399 53.164,1400 0.317,1401 14.488,1402 1.3,1403 80,1404 322.29,1405 129.783,1406 297.427,1407 391.23,1408 276,1409 95,1410 248.35,1411 152.356,1412 272.771,1413 404.95,1414 254,1415 4.523}
{0 CHEMBL592624,1 1.615,2 6.067,3 0.356,4 0.127,5 55.873,6 7.807,8 3.476,9 3.569,10 3.325,11 2.989,12 4.54,13 2.905,14 4.081,15 4.239,16 3.539,17 3.314,18 5.377,19 3.204,20 4.22,21 4.363,22 3.661,23 3.535,24 5.404,25 3.421,26 4.412,27 4.555,28 3.495,29 3.475,30 5.73,31 3.383,32 4.345,33 4.552,34 3.187,35 3.258,36 5.444,37 3.146,38 4.167,39 4.445,40 2.756,41 3.001,42 5.397,43 2.76,44 3.762,45 4.137,46 2.062,47 2.531,48 4.488,49 2.196,50 3.106,51 3.342,52 1.22,53 1.599,54 4.304,55 1.542,56 0.165,57 0.38,58 9.521,59 3.815,60 14.719,61 3.738,62 0.698,63 0.553,64 17.332,65 6.071,66 56.494,67 5.985,68 0.454,69 0.688,70 21.01,71 7.781,72 44.245,73 7.129,74 0.891,75 0.704,76 24.45,77 7.441,78 91.632,79 7.431,80 0.724,81 0.609,82 21.548,83 5.801,84 84.508,85 7.089,86 0.75,87 0.487,88 18.122,89 5.109,90 84.124,91 6.841,92 0.264,93 0.313,94 15.423,95 4.032,96 28.484,97 5.069,98 0.335,99 0.111,100 6.677,101 1.071,102 39.45,103 1.297,104 31,105 21,106 0.32,107 0.572,108 0.799,109 0.839,110 0.839,111 0.839,112 2.795,113 1.275,114 -1.8,115 -1.86,116 -1.87,121 30,122 1,123 2,126 2,127 1,138 1,140 1,160 1,176 2,179 4,180 4,187 2,192 6,200 1,205 2,206 10,214 1,231 4,281 175,282 9.638,283 9.638,284 9.638,285 9.638,286 9.638,287 9.026,288 9.546,289 5.398,290 9.871,291 7.172,292 7.172,293 7.172,294 7.172,295 7.172,296 6.047,297 7.671,298 2.303,299 7.416,300 3.291,301 2.02,302 0.875,303 0.675,304 0.675,305 0.675,306 3.403,311 1,312 1,313 174,314 3,319 53.651,325 1.013,326 26.681,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 34.667,338 91,339 4.562,340 3.73,341 6.993,342 4.287,343 3.301,344 3.932,345 1.674,346 11.845,347 3.253,348 4.226,349 3.355,350 6.35,351 3.845,352 2.857,353 3.613,354 0.765,355 9.484,356 2.813,357 3.239,358 2.721,359 4.849,360 2.82,361 1.876,362 2.316,364 5.003,365 1.746,366 2.508,367 1.875,368 4.023,369 2.46,370 1.477,371 1.5,373 3.358,374 1.446,375 1.737,376 1.461,377 3.557,378 1.624,379 0.707,380 0.715,382 1.45,383 0.638,384 1.492,385 1.203,386 3.131,387 1.238,388 0.362,389 0.38,391 0.493,392 0.313,393 1.427,394 0.755,395 2.821,396 1.051,397 0.09,398 0.104,400 0.138,401 0.085,402 0.863,403 0.085,404 2.359,405 0.686,406 -0.296,407 -0.328,409 -0.808,410 -0.285,411 0.692,412 -0.148,413 2,414 0.311,415 -0.682,416 -0.794,418 -1.631,419 -0.675,421 -0.487,422 1.657,423 -0.279,424 -1.265,425 -1.586,427 -2.917,428 -1.237,430 -1.113,431 1.405,432 -0.383,433 -1.358,434 -1.685,436 -3.669,437 -1.264,438 -0.39,439 -1.31,440 1.205,441 -0.581,442 -1.543,443 -1.762,445 -4.722,446 -1.491,447 -0.641,448 -1.418,449 0.646,450 -0.753,451 -1.679,452 -1.811,454 -5.496,455 -1.607,456 -0.782,457 -1.682,458 0.548,459 -0.936,460 -1.908,461 -2,462 -0.765,463 -5.628,464 -1.808,465 -0.933,466 -1.827,467 0.455,468 -0.991,469 -1.94,470 -2.594,471 -1.674,472 -6.9,473 -1.927,474 7.167,475 0.478,476 0.479,477 0.032,478 14,479 0.933,480 4.5,481 0.3,482 9.5,483 0.633,484 13.232,485 0.882,486 18.633,487 0.621,488 9.917,489 0.661,490 2.76,491 0.184,492 4.261,493 0.284,494 0.302,495 0.14,496 0.209,501 0.92,502 1.707,503 0.82,504 1.784,505 0.68,506 1.26,507 0.793,508 0.889,509 0.92,510 0.992,511 0.573,512 0.807,513 1.161,514 1.253,515 1.301,516 1.469,517 1.004,518 1.04,519 1.452,520 1.167,521 1.435,522 1.236,523 1.622,524 1.238,525 1.373,526 1.02,527 0.982,528 0.807,529 1.508,530 1.142,531 0.451,532 0.798,533 0.662,534 0.566,535 0.464,536 0.975,537 0.255,538 0.773,539 0.696,540 0.94,541 0.257,542 0.656,543 2.355,545 1.193,546 0.011,547 2.626,548 0.526,549 4.5,551 2.444,552 1.625,553 0.855,554 0.462,555 0.178,556 0.031,559 1204,560 4583,561 1.803,562 50,563 2,564 8,569 5,572 1.538,573 1.622,574 2.62,575 -0.586,577 1,582 48.464,583 1.615,584 2.887,585 4.031,586 4.231,587 4.231,588 4.231,589 2.149,590 3.64,591 3.879,592 2.676,593 280.948,594 6.533,595 2286.56,597 1,600 147.207,601 1.782,602 3.765,603 0.3,605 0.116,606 0.065,607 0.043,608 0.039,609 0.025,610 0.008,613 0.596,614 0.67,615 1,616 1.437,617 57.355,618 -0.171,619 -0.323,620 0.299,621 -0.268,622 -0.116,623 -0.079,624 0.294,625 0.182,626 0.148,627 0.163,628 0.225,629 0.193,630 -0.15,631 -0.073,632 -0.127,633 -0.072,634 -0.076,635 0.021,636 -0.198,637 -0.139,638 -0.413,639 -0.182,640 -0.229,641 -0.304,642 -0.331,643 -0.125,644 -0.174,645 -0.103,646 -0.317,647 -0.239,648 0.334,649 0.003,650 0.112,651 0.051,652 0.31,653 -0.057,654 0.241,655 -0.02,656 0.318,657 -0.024,658 0.253,659 0.33,660 -0.699,661 0.563,662 -0.342,663 0.387,664 -0.654,665 0.143,666 3.853,667 4.858,668 0.467,669 8.044,670 1.023,671 1.136,672 0.568,673 0.322,674 0.635,675 2.773,676 3.091,677 3.258,678 3.332,679 3.332,680 3.434,681 3.332,682 2.773,683 1.792,684 0.693,685 3.724,686 0.59,687 234.21,688 2.773,689 4.29,690 5.106,691 5.979,692 6.812,693 7.689,694 8.528,695 9.405,696 10.247,697 11.123,741 30,743 3,745 15,747 30,748 9,752 3,756 1,757 1,763 1,767 2,770 2,772 3,773 6,777 3,782 2,786 3,788 1,790 1,793 15,794 5,796 6,797 1,808 1,809 5,816 1,818 1,830 1,846 1,849 1,850 1,859 1,864 3,868 15,876 3,878 3,893 16.7,896 2,897 2,898 1,901 9.25,902 6.283,903 3.514,904 1.658,906 1,907 0.571,908 1.107,909 0.892,910 4.235,911 5.914,912 2.944,913 3.434,914 3.714,915 3.912,916 3.951,917 4.248,918 4.143,919 3.332,920 2.079,921 0.693,922 1,923 25,924 5.691,925 -0.001,926 2.434,927 0.026,929 8.22,931 10.368,933 8.112,934 -0.001,936 2.72,937 40.806,938 0.002,941 191.235,942 51.281,945 70.251,947 14.668,948 51.281,949 246.818,951 30.591,952 5.069,953 14.668,954 71.686,955 14.185,957 176.567,959 176.567,960 51.281,961 70.251,962 14.668,964 117.711,965 115.264,966 13.843,968 13.894,969 32.143,970 19.912,972 176.567,973 70.251,974 51.281,975 14.668,976 14.668,977 176.567,978 20.689,979 30.591,981 70.251,982 176.567,983 70.251,984 65.949,986 0.581,987 0.353,988 0.161,989 0.071,990 9,991 5,992 0.1,993 3,995 1,996 2.483,997 92.012,999 7,1000 58.603,1005 12.601,1006 5.042,1007 2.99,1009 70.251,1018 312.767,1019 18,1024 23.197,1028 0.342,1030 -3.047,1031 30.68,1032 34.092,1034 0.329,1035 0.588,1036 0.822,1037 0.862,1038 0.862,1039 0.862,1040 4.205,1041 -0.296,1042 5.176,1043 0.138,1044 3.761,1045 4.111,1046 2.051,1047 6.057,1048 3.704,1049 5.447,1050 -0.682,1051 6.81,1052 -0.808,1053 3.761,1054 4.369,1056 7.509,1057 3.727,1058 6.828,1059 -1.265,1060 8.559,1061 -1.631,1062 5.525,1063 6.293,1064 2.857,1065 10.419,1066 5.441,1067 8.245,1068 -1.358,1069 10.372,1070 -2.917,1071 6.275,1072 7.259,1074 12.556,1075 6.202,1076 9.69,1077 -1.543,1078 12.223,1079 -3.669,1080 7.621,1081 8.789,1082 3.817,1083 15.121,1084 7.518,1085 11.151,1086 -1.679,1087 14.098,1088 -4.722,1089 8.641,1090 9.992,1092 17.468,1093 8.537,1094 12.622,1095 -1.908,1096 15.987,1097 -5.496,1098 9.863,1099 11.403,1100 4.827,1101 19.948,1102 9.738,1103 3.301,1104 -1.94,1105 17.887,1106 -5.628,1107 10.98,1108 12.692,1110 22.365,1111 10.846,1112 2.857,1113 11.845,1114 19.794,1115 -6.9,1116 12.167,1117 14.064,1118 5.851,1119 24.827,1120 12.016,1121 1.876,1122 9.484,1123 21.706,1124 3.932,1125 13.32,1126 15.387,1128 27.271,1129 13.156,1130 1.477,1131 5.003,1132 23.622,1133 3.613,1134 14.498,1135 16.745,1136 6.88,1137 29.732,1138 14.319,1139 0.707,1140 3.358,1141 25.542,1142 2.316,1143 15.667,1144 18.083,1146 32.188,1147 15.474,1148 0.362,1149 1.45,1150 27.464,1151 1.5,1152 16.846,1153 19.437,1154 7.91,1155 34.651,1156 16.638,1157 0.09,1158 0.493,1159 29.388,1160 0.715,1161 18.023,1162 20.783,1164 37.113,1165 17.8,1166 1388,1167 2788,1168 8.841,1169 19.046,1170 21.583,1171 23.481,1172 24.25,1173 21.21,1174 21.341,1175 25.119,1176 4.878,1177 63.544,1178 20.588,1179 5.495,1180 5.557,1181 6.538,1182 5.278,1183 5.241,1184 6.526,1185 3.349,1186 18.745,1187 5.18,1188 9.481,1189 1.439,1190 1.565,1191 1.617,1192 1.414,1193 1.423,1194 1.675,1195 0.325,1196 4.236,1197 1.373,1198 3.923,1199 3.936,1200 4.463,1201 4.009,1202 7.433,1203 3.807,1204 3.573,1205 3.579,1206 3.671,1207 3.545,1208 7.392,1209 3.427,1210 3.306,1211 3.366,1212 3.169,1213 3.122,1214 4.665,1215 3.081,1216 3.279,1217 3.345,1218 3.092,1219 2.994,1220 4.491,1221 3.012,1222 3.038,1223 3.122,1224 2.842,1225 2.818,1226 4.359,1227 2.773,1228 2.876,1229 2.938,1230 2.671,1231 2.634,1232 3.864,1233 2.604,1234 2.559,1235 2.622,1236 2.316,1237 2.252,1238 3.626,1239 2.245,1240 2.088,1241 2.157,1242 1.885,1243 1.782,1244 3.3,1245 1.755,1246 0.304,1247 0.249,1248 0.466,1249 0.286,1250 0.22,1251 4.562,1252 0.262,1253 3.73,1254 0.112,1255 6.993,1256 0.79,1257 4.287,1258 0.217,1259 3.301,1260 3.932,1261 1.674,1262 11.845,1263 3.253,1264 1.753,1265 1.719,1266 1.929,1267 1.895,1268 1.304,1269 1.912,1270 1.672,1271 1.665,1272 1.723,1273 1.756,1274 1,1275 1.84,1276 1.234,1277 1.177,1278 1.59,1279 1.569,1280 0.638,1281 1.573,1282 1.203,1283 1.123,1284 1.57,1285 1.495,1286 0.581,1287 1.529,1288 1.015,1289 0.917,1290 1.329,1291 1.247,1292 0.542,1293 1.324,1294 0.782,1295 0.74,1296 0.941,1297 1.049,1298 0.129,1299 1.058,1300 0.423,1301 0.343,1302 0.716,1303 0.737,1305 0.804,1306 0.152,1307 0.08,1308 0.386,1309 0.54,1311 0.574,1312 3.434,1314 4.745,1316 6.248,1317 2.708,1318 7.827,1319 5.293,1320 9.442,1322 4.254,1328 1.417,1330 14.644,1340 17.712,1341 48.464,1342 86.603,1343 120.942,1344 126.942,1345 126.942,1346 126.942,1347 38.682,1348 5.342,1349 61.83,1350 71.64,1351 7,1352 11.669,1353 2,1354 2,1355 30.876,1356 35,1357 31,1358 0.501,1359 117.764,1360 210.4,1361 279.103,1362 919,1364 11.475,1365 0.765,1366 0.667,1367 11.725,1368 10.004,1369 7.021,1370 0.468,1371 0.425,1372 4.666,1373 5.688,1374 4.307,1375 3.62,1376 7.801,1377 6.374,1378 6.287,1379 0.299,1380 0.26,1381 7.596,1382 5.455,1383 5.092,1384 0.204,1385 0.17,1386 6.316,1387 4.242,1388 3.549,1389 0.131,1390 0.106,1391 4.489,1392 2.854,1393 2.243,1394 0.083,1395 0.07,1396 2.988,1397 1.887,1398 0.728,1399 53.164,1400 0.336,1401 14.749,1402 1.545,1403 72,1404 314.29,1405 121.119,1406 289.768,1407 374.89,1408 268,1409 82,1410 229.441,1411 138.359,1412 256.476,1413 373.65,1414 236,1415 4.119}
{0 CHEMBL592857,1 1.654,2 6,3 -0.1,4 0.01,5 51.272,6 8.155,8 3.383,9 3.467,10 3.282,11 2.896,12 4.483,13 2.817,14 3.981,15 4.128,16 3.5,17 3.212,18 5.333,19 3.113,20 4.034,21 4.154,22 3.485,23 3.32,24 5.302,25 3.233,26 4.193,27 4.315,28 3.305,29 3.234,30 5.589,31 3.166,32 4.125,33 4.345,34 2.971,35 3.032,36 5.192,37 2.902,38 3.882,39 4.152,40 2.626,41 2.749,42 5.205,43 2.511,44 3.497,45 3.868,46 2.002,47 2.282,48 4.31,49 1.981,50 2.833,51 2.972,52 1.207,53 1.405,54 4.22,55 1.449,56 0.186,57 0.342,58 8.379,59 3.499,60 14.814,61 3.222,62 0.716,63 0.49,64 15.826,65 5.526,66 56.885,67 5.127,68 0.472,69 0.554,70 17.419,71 6.337,72 43.524,73 5.437,74 0.833,75 0.549,76 18.249,77 5.652,78 85.342,79 5.455,80 0.662,81 0.483,82 17.997,83 4.786,84 75.222,85 5.718,86 0.627,87 0.37,88 13.775,89 4.003,90 67.005,91 5.29,92 0.257,93 0.235,94 13.296,95 3.27,96 25.857,97 3.891,98 0.314,99 0.081,100 4.766,101 0.708,102 37.262,103 0.626,104 31,105 20,106 0.337,107 0.591,108 0.786,109 0.831,110 0.831,111 0.831,112 2.733,113 1.259,114 -1.48,115 -1.56,116 -1.6,121 29.6,122 1,123 1,126 2,127 1,138 1,140 1,160 1,176 1,179 4,180 4,187 1,192 5,200 1,205 2,206 6,231 4,281 148,282 8.931,283 8.931,284 8.931,285 8.931,286 8.931,287 8.319,288 9.546,289 4.921,290 9.164,291 6.672,292 6.672,293 6.672,294 6.672,295 6.672,296 5.547,297 7.671,298 2.09,299 6.916,300 3.101,301 1.856,302 0.899,303 0.676,304 0.676,305 0.676,306 3.333,311 1,312 1,313 160,314 3,318 46.867,325 1.143,326 25.414,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 32.667,338 84,339 4.583,340 3.738,341 7.002,342 4.307,343 3.321,344 3.958,345 1.674,346 11.876,347 3.271,348 4.194,349 3.357,350 6.332,351 3.809,352 2.819,353 3.577,354 0.765,355 9.421,356 2.778,357 3.236,358 2.685,359 4.849,360 2.815,361 1.872,362 2.312,364 5.003,365 1.741,366 2.299,367 1.812,368 4.025,369 2.223,370 1.258,371 1.284,373 3.086,374 1.205,375 1.573,376 1.461,377 3.482,378 1.423,379 0.545,380 0.552,382 0.866,383 0.472,384 1.476,385 1.144,386 2.967,387 1.17,388 0.275,389 0.299,391 0.374,392 0.242,393 1.265,394 0.291,395 2.569,396 0.827,397 -0.183,398 -0.223,400 -0.366,401 -0.18,402 0.68,403 0.002,404 2.289,405 0.459,406 -0.497,407 -0.546,409 -1.342,410 -0.472,411 0.222,412 -0.276,413 1.874,414 -0.129,415 -1.144,416 -1.38,418 -2.887,419 -1.152,421 -0.959,422 1.416,423 -0.413,424 -1.371,425 -1.671,427 -3.683,428 -1.264,429 -0.219,430 -1.183,431 1.201,432 -0.43,433 -1.392,434 -1.718,436 -4.196,437 -1.336,438 -0.589,439 -1.416,440 0.908,441 -0.709,442 -1.644,443 -1.839,445 -5.213,446 -1.563,447 -0.782,448 -1.644,449 0.628,450 -0.911,451 -1.859,452 -2,453 -0.765,454 -5.989,455 -1.792,456 -0.938,457 -1.81,458 0.457,459 -1.041,460 -2,461 -2.604,462 -1.674,463 -6.949,464 -1.95,474 6.667,475 0.476,476 0.479,477 0.034,478 13.5,479 0.964,480 4.5,481 0.321,482 9,483 0.643,484 11.34,485 0.81,486 17.333,487 0.642,488 9.42,489 0.673,490 2.76,491 0.197,492 3.761,493 0.269,494 0.325,495 0.15,496 0.225,501 0.935,502 1.726,503 0.802,504 1.801,505 0.691,506 1.243,507 0.815,508 0.823,509 0.912,510 0.964,511 0.588,512 0.727,513 1.262,514 1.329,515 1.407,516 1.547,517 1.12,518 1.107,519 1.495,520 1.144,521 1.373,522 1.079,523 1.748,524 1.273,525 1.237,526 0.942,527 0.923,528 0.775,529 1.337,530 1.087,531 0.256,532 0.846,533 0.593,534 0.594,535 0.234,536 1.005,537 0.299,538 0.72,539 0.74,540 1.008,541 0.298,542 0.545,543 3.167,545 1.674,546 0.016,547 3.526,548 0.773,549 4.5,551 2.444,552 1.375,553 0.884,554 0.438,555 0.162,556 0.031,559 1012,560 4179,561 1.79,562 48.1,564 8,569 5,572 1.512,573 1.6,574 2.608,575 -0.557,582 44.667,583 1.654,584 2.899,585 3.856,586 4.078,587 4.078,588 4.078,589 2.236,590 3.236,591 3.775,592 2.683,593 244.19,594 6.313,595 1881.31,597 1,600 128.382,601 1.809,602 3.655,603 0.321,605 0.122,606 0.065,607 0.055,608 0.049,609 0.027,610 0.008,613 0.648,614 0.67,615 1,616 1.475,617 52.211,618 -0.184,619 -0.355,620 0.306,621 -0.288,622 -0.129,623 -0.088,624 0.279,625 0.233,626 0.161,627 0.196,628 0.215,629 0.258,630 -0.212,631 -0.159,632 -0.259,633 -0.172,634 -0.127,635 -0.078,636 -0.248,637 -0.144,638 -0.456,639 -0.155,640 -0.298,641 -0.381,642 -0.299,643 -0.074,644 -0.102,645 -0.067,646 -0.282,647 -0.173,648 0.48,649 -0.039,650 0.196,651 0.038,652 0.451,653 -0.059,654 0.264,655 0.026,656 0.382,657 -0.008,658 0.286,659 0.477,660 -1.153,661 0.596,662 -0.848,663 0.358,664 -1.076,665 -0.2,666 3.809,667 4.638,668 0.429,669 8,670 1.029,671 1.136,672 0.251,673 0.063,674 0.64,675 2.708,676 3.045,677 3.219,678 3.296,679 3.367,680 3.367,681 2.944,682 1.946,683 0.693,685 3.691,686 0.599,687 220.18,688 2.708,689 4.234,690 5.056,691 5.938,692 6.781,693 7.668,694 8.517,695 9.405,696 10.255,697 11.145,741 27,743 3,745 14,747 27,748 8,752 3,756 1,757 1,763 1,767 1,770 1,772 3,773 5,777 3,782 2,786 3,788 1,790 1,793 13,794 5,796 6,797 1,808 1,809 5,816 1,818 1,829 1,846 1,849 1,850 1,859 1,864 3,868 14,876 2,878 3,893 18.5,896 2,897 2,898 1,901 8.75,902 5.783,903 3.264,904 1.408,906 1,907 0.578,908 1.111,909 0.892,910 3.622,911 5.771,912 2.89,913 3.401,914 3.689,915 3.892,916 4.043,917 4.263,918 3.638,919 2.303,920 0.693,922 1,923 21,924 5.297,925 0.002,926 2.278,927 0.026,929 8.308,931 9.552,932 0.001,933 7.446,934 0.001,936 2.808,937 39.306,938 0.003,941 167.692,942 48.746,945 70.251,947 14.668,948 48.746,949 223.276,951 30.591,952 2.535,953 14.668,954 71.686,955 14.185,957 153.024,959 153.024,960 48.746,961 70.251,962 14.668,964 94.169,965 115.264,966 13.843,968 11.36,969 32.143,970 19.912,972 153.024,973 70.251,974 48.746,975 14.668,976 14.668,977 153.024,978 18.155,979 30.591,981 70.251,982 153.024,983 70.251,984 63.414,986 0.587,987 0.356,988 0.158,989 0.075,990 9,991 5,992 0.111,993 3,995 1,996 2.412,997 82.585,999 6,1000 53.303,1005 11.606,1006 4.369,1007 2.53,1009 70.251,1018 286.69,1019 17,1024 22.824,1028 0.314,1030 -3.004,1031 27.796,1032 30.677,1034 0.348,1035 0.61,1036 0.811,1037 0.858,1038 0.858,1039 0.858,1040 4.159,1041 -0.497,1042 5.142,1043 -0.366,1044 3.714,1045 4.078,1046 2.051,1047 6.038,1048 3.653,1049 5.416,1050 -1.144,1051 6.788,1052 -1.342,1053 3.761,1054 4.369,1056 7.509,1057 3.727,1058 6.807,1059 -1.371,1060 8.545,1061 -2.887,1062 5.501,1063 6.282,1064 2.857,1065 10.417,1066 5.415,1067 8.232,1068 -1.392,1069 10.364,1070 -3.683,1071 6.275,1072 7.259,1074 12.556,1075 6.202,1076 9.682,1077 -1.644,1078 12.219,1079 -4.196,1080 7.617,1081 8.789,1082 3.817,1083 15.126,1084 7.513,1085 11.147,1086 -1.859,1087 14.095,1088 -5.213,1089 8.648,1090 9.997,1092 17.474,1093 8.543,1094 12.622,1095 -2,1096 15.987,1097 -5.989,1098 9.875,1099 11.412,1100 4.827,1101 19.96,1102 9.747,1103 3.321,1105 17.888,1106 -6.949,1107 10.999,1108 12.705,1110 22.379,1111 10.863,1112 2.819,1113 11.876,1114 19.796,1116 12.192,1117 14.082,1118 5.851,1119 24.845,1120 12.038,1121 1.872,1122 9.421,1123 21.709,1124 3.958,1125 13.352,1126 15.41,1128 27.292,1129 13.186,1130 1.258,1131 5.003,1132 23.627,1133 3.577,1134 14.539,1135 16.774,1136 6.88,1137 29.756,1138 14.356,1139 0.545,1140 3.086,1141 25.548,1142 2.312,1143 15.715,1144 18.118,1146 32.216,1147 15.518,1148 0.275,1149 0.866,1150 27.471,1151 1.284,1152 16.902,1153 19.479,1154 7.91,1155 34.682,1156 16.689,1157 -0.183,1158 0.374,1159 29.397,1160 0.552,1161 18.086,1162 20.831,1164 37.148,1165 17.859,1166 1184,1167 2478,1168 8.148,1169 17.284,1170 20.252,1171 22.221,1172 23.03,1173 20.008,1174 20.179,1175 23.961,1176 4.878,1177 61.249,1178 19.417,1179 5.521,1180 5.549,1181 6.546,1182 5.348,1183 5.321,1184 6.562,1185 3.349,1186 18.825,1187 5.221,1188 9.061,1189 1.447,1190 1.587,1191 1.645,1192 1.429,1193 1.441,1194 1.712,1195 0.348,1196 4.375,1197 1.387,1198 3.93,1199 3.937,1200 4.47,1201 4.023,1202 7.433,1203 3.817,1204 3.519,1205 3.522,1206 3.632,1207 3.47,1208 7.392,1209 3.348,1210 3.28,1211 3.342,1212 3.126,1213 2.997,1214 4.673,1215 3.011,1216 3.16,1217 3.253,1218 2.913,1219 2.923,1220 4.488,1221 2.905,1222 2.965,1223 3.031,1224 2.806,1225 2.774,1226 4.356,1227 2.709,1228 2.777,1229 2.821,1230 2.626,1231 2.53,1232 3.687,1233 2.498,1234 2.354,1235 2.418,1236 2.115,1237 2.015,1238 3.599,1239 2.035,1240 1.95,1241 2.05,1242 1.615,1243 1.585,1244 3.113,1245 1.537,1246 0.327,1247 0.267,1248 0.5,1249 0.308,1250 0.237,1251 4.583,1252 0.283,1253 3.738,1254 0.12,1255 7.002,1256 0.848,1257 4.307,1258 0.234,1259 3.321,1260 3.958,1261 1.674,1262 11.876,1263 3.271,1264 1.85,1265 1.835,1266 1.915,1267 1.946,1268 1.295,1269 1.992,1270 1.41,1271 1.391,1272 1.606,1273 1.621,1274 0.785,1275 1.648,1276 1.223,1277 1.154,1278 1.589,1279 1.527,1280 0.597,1281 1.553,1282 1.162,1283 1.072,1284 1.557,1285 1.44,1286 0.578,1287 1.488,1288 0.934,1289 0.864,1290 1.104,1291 1.158,1292 0.4,1293 1.198,1294 0.672,1295 0.627,1296 0.806,1297 0.922,1299 0.988,1300 0.254,1301 0.194,1302 0.392,1303 0.649,1305 0.653,1309 0.271,1311 0.274,1312 3.367,1314 4.691,1316 6.232,1318 7.862,1320 9.535,1322 4.21,1328 0.578,1330 14.383,1340 16.185,1341 44.667,1342 78.276,1343 104.117,1344 110.117,1345 110.117,1346 110.117,1347 33.566,1348 5.193,1349 61.83,1350 71.64,1351 6,1352 11.682,1353 2,1354 2,1355 27.797,1356 32,1357 28,1358 0.497,1359 108.171,1360 193.1,1361 255.698,1362 721,1364 10.768,1365 0.769,1366 0.664,1367 11.018,1368 9.297,1369 6.521,1370 0.466,1371 0.42,1372 4.166,1373 5.188,1374 3.817,1375 3.204,1376 7.301,1377 5.874,1378 5.934,1379 0.297,1380 0.255,1381 7.243,1382 5.101,1383 4.855,1384 0.202,1385 0.164,1386 6.063,1387 3.926,1388 3.3,1389 0.127,1390 0.1,1391 4.233,1392 2.605,1393 2.127,1394 0.076,1395 0.066,1396 3.016,1397 1.861,1398 0.725,1399 50.164,1400 0.35,1401 13.901,1402 1.518,1403 68,1404 310.29,1405 117.119,1406 285.607,1407 369.13,1408 264,1409 78,1410 225.441,1411 134.359,1412 252.316,1413 367.95,1414 232,1415 5.301}
{0 CHEMBL593933,1 1.436,2 10.103,3 3.522,4 12.401,5 118.48,6 7.1,7 0.188,8 4.093,9 4.204,10 3.625,11 3.651,12 5.165,13 3.621,14 4.648,15 4.816,16 4.009,17 4.064,18 5.66,19 4.02,20 4.879,21 5.042,22 4.187,23 4.29,24 5.897,25 4.232,26 5.066,27 5.268,28 4.193,29 4.379,30 6.03,31 4.282,32 5.169,33 5.413,34 4.059,35 4.387,36 6.047,37 4.252,38 5.123,39 5.375,40 4.008,41 4.295,42 6.043,43 4.163,44 4.978,45 5.205,46 3.957,47 4.208,48 5.935,49 4.094,50 4.996,51 5.245,52 3.892,53 4.125,54 5.93,55 4.004,56 0.023,57 0.745,58 11.773,59 5.394,60 9.864,61 6.988,62 0.231,63 1.229,64 22.464,65 9.019,66 28.509,67 11.939,68 0.186,69 1.592,70 27.826,71 11.24,72 33.02,73 15.041,74 0.4,75 1.884,76 34.78,77 13.594,78 46.141,79 18.888,80 0.323,81 2.029,82 39.816,83 14.939,84 53.487,85 21.283,86 0.457,87 1.822,88 39.114,89 14.783,90 59.103,91 20.616,92 0.256,93 1.61,94 32.839,95 12.824,96 46.887,97 17.567,98 0.33,99 1.57,100 34.514,101 12.936,102 48.848,103 17.851,104 35,105 47,106 0.237,107 0.611,108 0.798,109 0.86,110 0.866,111 0.884,112 3.409,113 0.923,114 -4.48,115 -4.41,116 -4.15,121 43.6,122 2,123 2,124 1,126 2,132 1,137 4,138 3,140 1,144 3,145 1,146 2,157 1,160 1,176 12,180 9,183 1,185 3,187 17,192 8,197 2,200 15,205 2,206 11,209 1,211 3,214 19,219 1,224 2,227 15,231 2,232 6,237 3,239 19,244 6,249 1,251 13,256 11,259 1,261 2,264 10,269 5,281 1396,282 19.745,283 19.745,284 19.745,285 19.745,286 19.745,287 17.715,288 28.165,289 11.208,290 20.171,291 15.577,292 15.577,293 15.577,294 15.577,295 15.577,296 12.447,297 36.943,298 5.002,299 16.061,300 4.346,301 2.077,302 0.941,303 0.564,304 0.528,305 0.419,306 4.104,311 1,312 1,313 631,314 3.536,318 277.307,320 84.355,322 108.891,324 129,325 1.156,326 24.489,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 62,338 293,339 4.863,340 4.145,341 8.052,342 4.684,343 3.7,344 4.178,345 1.398,346 15.6,347 3.639,348 4.278,349 3.481,350 6.179,351 3.865,352 2.9,353 3.929,354 1.081,355 9.166,356 2.797,357 4.025,358 3.13,359 6.172,360 3.638,361 2.652,362 3.352,363 0.86,364 8.705,365 2.611,366 3.707,367 2.917,368 5.87,369 3.463,370 2.474,371 2.946,372 0.86,373 8.15,374 2.443,375 3.566,376 2.734,377 5.224,378 3.172,379 2.237,380 2.852,381 0.717,382 6.514,383 2.139,384 3.485,385 2.642,386 5.112,387 3.136,388 2.133,389 2.67,390 0.68,391 6,392 2.085,393 3.422,394 2.566,395 4.954,396 3.017,397 1.998,398 2.517,399 0.473,400 5.657,401 2.023,402 2.98,403 2.046,404 4.433,405 2.563,406 1.626,407 2.102,408 0.212,409 4.273,410 1.513,411 2.727,412 1.515,413 4.304,414 2.255,415 1.277,416 1.642,418 3.512,419 1.246,420 2.513,421 1.48,422 4.065,423 2.049,424 1.068,425 1.371,427 2.599,428 1.046,429 2.247,430 1.236,431 3.485,432 1.748,433 0.797,434 1.037,436 1.694,437 0.753,438 1.704,439 0.999,440 3.246,441 1.32,442 0.464,443 0.513,445 0.697,446 0.394,447 1.592,448 0.938,449 3.03,450 1.303,451 0.406,452 0.5,454 0.673,455 0.361,456 1.522,457 0.761,458 2.913,459 1.129,460 0.126,461 0.151,463 0.356,464 0.126,465 1.056,466 0.441,467 2.776,468 0.861,469 -0.142,470 -0.151,472 -0.239,473 -0.141,474 13.8,475 0.476,476 0.757,477 0.026,478 33.25,479 1.147,480 15,481 0.517,482 18.25,483 0.629,484 29.65,485 1.022,486 31.2,487 0.567,488 26.747,489 0.922,490 6.706,491 0.231,492 7.295,493 0.252,494 0.169,495 0.036,496 0.326,501 0.78,502 1.218,503 0.816,504 1.104,505 0.649,506 0.984,507 1.035,508 0.966,509 0.81,510 0.839,511 0.676,512 0.803,513 0.991,514 1.201,515 0.993,516 1.074,517 0.922,518 1.035,519 0.688,520 1.183,521 1.022,522 1.114,523 0.67,524 1.111,525 0.752,526 1.057,527 1.075,528 1.066,529 0.821,530 1.095,531 0.84,532 0.885,533 0.93,534 0.924,535 0.821,536 0.939,537 0.921,538 1.029,539 1.001,540 1.066,541 1.043,542 1.046,543 0.946,544 0.97,545 0.917,546 1.015,547 0.901,548 0.972,549 7.5,550 0.136,551 4.222,552 2.813,553 2.404,554 1.528,555 0.714,556 0.648,557 0.401,558 0.311,559 9252,560 23197,561 2.061,562 47.3,563 7,564 13,566 1,567 1,569 4,572 1.727,573 1.902,574 3.22,575 -0.405,577 1,582 78.969,583 1.436,584 3.704,585 4.84,586 5.217,587 5.254,588 5.363,589 2.527,590 4.513,591 4.828,592 3.379,593 1372.01,594 8.453,595 17667.3,597 1,599 1,600 317.975,601 1.636,602 4.769,603 0.234,604 0.009,605 0.09,606 0.051,607 0.045,608 0.034,609 0.017,610 0.016,611 0.011,612 0.012,613 0.519,614 0.17,615 1,616 0.943,617 143.557,618 -0.01,619 -0.078,620 0.06,621 -0.033,622 -0.039,623 0.015,624 -0.02,625 0.104,626 0.136,627 0.181,628 0.057,629 0.177,630 -0.099,631 -0.099,632 -0.068,633 -0.058,634 -0.062,635 -0.059,636 0.089,637 -0.116,638 -0.087,639 -0.12,640 0.027,641 -0.13,642 -0.07,643 -0.023,644 -0.127,645 -0.093,646 -0.091,647 -0.109,648 0.036,649 0.073,650 0.05,651 0.06,652 0.042,653 0.056,654 -0.047,655 -0.043,656 -0.04,657 -0.068,658 -0.045,659 -0.053,660 0.042,661 -0.03,662 0.077,663 -0.035,664 0.045,665 0.018,666 1.763,667 4.952,668 0.655,669 23.729,670 0.996,671 1.12,672 3.249,673 10.558,674 0.664,675 3.497,676 3.871,677 4.22,678 4.564,679 4.86,680 5.037,681 5.159,682 5.303,683 5.347,684 5.421,685 5.827,686 0.627,687 390.52,688 3.497,689 5.069,690 5.958,691 6.884,692 7.799,693 8.736,694 9.659,695 10.603,696 11.532,697 12.48,698 3.6,705 1,707 1,715 3,720 3,722 6,725 1,739 2,741 55,743 12,744 1,745 32,747 58,748 24,749 6,750 3,751 3,752 6,756 4,757 7,763 2,767 2,768 2,770 2,772 16,773 8,774 2,777 6,782 1,784 5,785 1,786 5,790 1,793 26,794 5,795 1,796 5,802 2,808 0.5,809 3,829 4,831 1,833 1,835 1,843 1,849 5,850 3,859 2,864 4,868 29,876 2,877 1,878 2,880 1,882 1,893 5.5,896 1,898 2,901 15.25,902 11.2,903 6.5,904 3.242,907 2.668,908 1.341,909 0.96,910 5.222,911 10.499,912 3.738,913 4.311,914 4.877,915 5.427,916 5.959,917 6.275,918 6.6,919 6.931,920 7.266,921 7.597,922 0.857,923 55,924 10.735,926 4.579,927 0.026,929 7.652,931 20.732,933 17.33,936 2.152,937 62.417,939 1,940 1,941 294.278,942 150.557,943 34.796,945 47.145,948 150.557,949 341.422,950 34.796,951 39.417,952 23.08,953 66.334,954 53.425,955 62.014,957 282.506,959 294.278,960 185.354,961 47.145,964 247.193,965 94.229,968 57.516,969 78.129,970 49.709,972 294.278,973 81.941,974 150.557,977 294.278,978 35.76,979 114.798,980 18.011,981 63.93,982 294.278,983 81.941,984 150.557,986 0.583,987 0.365,988 0.213,989 0.122,990 24,991 11,992 0.069,993 4,994 3,995 1.263,996 3.795,997 275.542,998 0.316,999 18,1000 140.881,1005 19.72,1006 7.68,1007 3.358,1009 81.941,1010 5.711,1015 2.338,1017 18.011,1018 526.776,1019 41,1024 11.952,1026 9.924,1027 5.166,1028 4.596,1031 54.789,1032 61.607,1034 0.248,1035 0.641,1036 0.837,1037 0.902,1038 0.909,1039 0.928,1040 5.027,1041 1.626,1042 5.994,1043 5.657,1044 4.554,1045 4.997,1046 2.505,1047 6.93,1048 4.504,1049 6.262,1050 1.277,1051 7.635,1052 4.273,1053 4.369,1054 4.879,1055 0.747,1056 8.324,1057 4.313,1058 7.61,1059 1.068,1060 9.393,1061 3.512,1062 6.297,1063 7.153,1064 2.532,1065 11.487,1066 6.211,1067 8.993,1068 0.797,1069 11.231,1070 2.599,1071 6.948,1072 7.815,1073 1.478,1074 13.803,1075 6.849,1076 10.41,1077 0.464,1078 13.126,1079 1.694,1080 8.408,1081 9.586,1082 2.77,1083 16.633,1084 8.289,1085 11.853,1086 0.406,1087 15.065,1088 0.697,1089 9.435,1090 10.618,1091 2.2,1092 19.259,1093 9.302,1094 13.317,1095 0.126,1096 17.038,1097 0.673,1098 10.756,1099 12.185,1100 3.157,1101 22.022,1102 10.608,1103 3.7,1104 -0.142,1105 19.038,1106 0.356,1107 11.946,1108 13.404,1109 2.913,1110 24.735,1111 11.782,1112 2.9,1113 15.6,1114 21.059,1115 -0.239,1116 13.237,1117 14.883,1118 3.648,1119 27.486,1120 13.059,1121 2.652,1122 9.166,1123 23.096,1124 4.178,1125 14.492,1126 16.196,1127 3.616,1128 30.223,1129 14.299,1130 2.474,1131 8.705,1132 25.145,1133 3.929,1134 15.783,1135 17.637,1136 4.206,1137 32.971,1138 15.576,1139 2.237,1140 8.15,1141 27.203,1142 3.352,1143 17.067,1144 18.998,1145 4.309,1146 35.716,1147 16.844,1148 2.133,1149 6.514,1150 29.268,1151 2.946,1152 18.363,1153 20.422,1154 4.807,1155 38.463,1156 18.125,1157 1.998,1158 6,1159 31.338,1160 2.852,1161 19.658,1162 21.808,1163 4.996,1164 41.209,1165 19.406,1166 9009,1167 14362,1168 20.978,1169 36.512,1170 49.383,1171 49.518,1172 51.879,1173 47.557,1174 47.719,1175 59.52,1176 12.562,1177 147.192,1178 46.349,1179 5.828,1180 6.145,1181 7.611,1182 5.723,1183 5.7,1184 7.178,1185 2.527,1186 24.203,1187 5.639,1188 15.692,1189 1.543,1190 1.547,1191 1.621,1192 1.486,1193 1.491,1194 1.86,1195 0.393,1196 4.6,1197 1.448,1198 4.086,1199 4.116,1200 4.035,1201 4.015,1202 7.43,1203 4.015,1204 3.912,1205 3.927,1206 3.865,1207 3.833,1208 4.957,1209 3.838,1210 3.699,1211 3.734,1212 3.633,1213 3.581,1214 4.744,1215 3.587,1216 3.45,1217 3.515,1218 3.313,1219 3.339,1220 4.581,1221 3.323,1222 3.365,1223 3.416,1224 3.258,1225 3.169,1226 4.419,1227 3.183,1228 3.27,1229 3.333,1230 3.107,1231 3.093,1232 4.36,1233 3.081,1234 3.237,1235 3.307,1236 3.076,1237 2.984,1238 4.182,1239 3,1240 3.151,1241 3.23,1242 2.967,1243 2.916,1244 4.106,1245 2.916,1246 0.152,1247 0.13,1248 0.252,1249 0.146,1250 0.116,1251 4.863,1252 0.131,1253 4.145,1254 0.044,1255 8.052,1256 0.487,1257 4.684,1258 0.114,1259 3.7,1260 4.178,1261 1.398,1262 15.6,1263 3.639,1264 2.044,1265 2.018,1266 2.147,1267 2.135,1268 1.472,1269 2.139,1270 1.883,1271 1.867,1272 1.974,1273 1.987,1274 1.082,1275 1.982,1276 1.666,1277 1.633,1278 1.811,1279 1.819,1280 0.949,1281 1.816,1282 1.476,1283 1.417,1284 1.751,1285 1.643,1286 0.841,1287 1.684,1288 1.303,1289 1.249,1290 1.592,1291 1.571,1292 0.793,1293 1.573,1294 1.253,1295 1.189,1296 1.561,1297 1.508,1298 0.589,1299 1.523,1300 1.202,1301 1.131,1302 1.555,1303 1.453,1304 0.575,1305 1.492,1306 1.133,1307 1.053,1308 1.444,1309 1.393,1310 0.559,1311 1.416,1312 4.174,1314 5.533,1316 7.119,1318 8.823,1320 10.595,1322 7.517,1328 1.586,1329 3.049,1330 10.846,1332 0.245,1334 -0.513,1340 34.509,1341 78.969,1342 203.733,1343 266.2,1344 286.955,1345 288.955,1346 294.955,1347 50.872,1348 7.831,1349 63.68,1350 63.68,1351 24,1352 12.974,1353 3.7,1354 3.322,1355 44.368,1356 96,1357 126,1358 0.22,1359 210.644,1360 388.03,1361 505.731,1362 25276,1364 20.596,1365 0.71,1366 0.596,1367 20.596,1368 17.282,1369 14.001,1370 0.438,1371 0.308,1372 9.714,1373 13.495,1374 9.313,1375 7.778,1376 14.001,1377 9.844,1378 12.628,1379 0.269,1380 0.164,1381 12.628,1382 7.686,1383 11.1,1384 0.166,1385 0.089,1386 11.1,1387 5.943,1388 9.967,1389 0.105,1390 0.05,1391 9.967,1392 4.757,1393 8.324,1394 0.065,1395 0.027,1396 8.324,1397 3.444,1398 0.333,1399 87.647,1400 0.218,1401 26.73,1402 0.645,1403 158,1404 427.185,1405 170.079,1406 409.652,1407 566.09,1408 386,1409 193,1410 416.446,1411 204.805,1412 427.242,1413 628.29,1414 399,1415 7.076}
{0 CHEMBL594186,1 1.259,2 10.344,3 6.186,4 38.263,5 137.8,6 6.464,7 0.171,8 4.236,9 4.367,10 3.686,11 3.845,12 5.209,13 3.776,14 4.804,15 4.994,16 4.047,17 4.262,18 5.709,19 4.164,20 5.108,21 5.33,22 4.187,23 4.461,24 5.975,25 4.343,26 5.225,27 5.471,28 4.205,29 4.512,30 6.052,31 4.378,32 5.278,33 5.527,34 4.155,35 4.538,36 6.111,37 4.388,38 5.292,39 5.554,40 4.137,41 4.522,42 6.136,43 4.362,44 5.257,45 5.51,46 4.096,47 4.506,48 6.09,49 4.348,50 5.297,51 5.558,52 4.093,53 4.542,54 6.082,55 4.371,56 0.066,57 0.88,58 15.129,59 6.707,60 11.038,61 9.374,62 0.185,63 1.49,64 27.176,65 11.55,66 24.622,67 16.399,68 0.23,69 1.977,70 37.288,71 15.059,72 36.835,73 21.576,74 0.294,75 2.206,76 42.114,77 16.608,78 39.361,79 24.06,80 0.32,81 2.306,82 44.551,83 17.233,84 47.642,85 25.035,86 0.327,87 2.262,88 45,89 18.28,90 53.722,91 26.237,92 0.295,93 2.197,94 43.514,95 17.542,96 50.274,97 25.073,98 0.271,99 2.257,100 45.052,101 18.858,102 45.313,103 26.836,104 24,105 49,106 0.2,107 0.55,108 0.775,109 0.87,110 0.876,111 0.876,112 3.503,113 1.023,114 -6.2,115 -6.05,116 -5.62,121 43.9,122 3,123 6,124 1,132 1,137 5,138 4,140 1,144 5,145 1,156 1,160 1,176 23,180 5,183 1,185 3,187 28,192 7,197 2,200 26,206 9,209 1,211 3,214 28,219 4,224 2,227 26,231 1,232 6,237 3,239 30,244 4,249 2,251 33,256 3,261 2,264 36,269 2,274 3,277 36,281 1854,282 21.91,283 21.91,284 21.91,285 21.91,286 21.91,287 19.646,288 21.706,289 13.162,290 21.986,291 17.216,292 17.216,293 17.216,294 17.216,295 17.216,296 13.889,297 25.897,298 6.139,299 17.335,300 4.786,301 2.576,302 1.158,303 0.561,304 0.519,305 0.519,306 4.2,312 1,313 708,314 4.183,318 340.522,320 102.746,322 131.653,324 155.57,325 1.281,326 20.205,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 66,338 331,339 4.862,340 4.145,341 8.052,342 4.683,343 3.699,344 4.173,345 1.398,346 15.6,347 3.639,348 4.081,349 3.481,350 6.179,351 3.668,352 2.675,353 3.608,354 1.081,355 8.706,356 2.661,357 4.022,358 2.939,359 5.874,360 3.634,361 2.645,362 3.353,363 0.717,364 8.166,365 2.611,366 3.722,367 2.808,368 5.575,369 3.463,370 2.473,371 3.013,372 0.68,373 7.676,374 2.445,375 3.606,376 2.716,377 5.112,378 3.226,379 2.229,380 2.857,381 0.473,382 6.107,383 2.223,384 3.484,385 2.566,386 5.043,387 3.136,388 2.133,389 2.67,390 0.212,391 6,392 2.138,393 3.413,394 2.363,395 4.952,396 3.016,397 1.997,398 2.495,400 5.655,401 2.024,402 2.881,403 1.709,404 4.322,405 2.62,406 1.622,407 2.015,409 3.539,410 1.619,411 2.747,412 1.542,413 4.085,414 2.421,415 1.424,416 1.687,418 3.169,419 1.419,420 2.642,421 1.481,422 3.647,423 2.254,424 1.275,425 1.588,427 3.006,428 1.246,429 2.5,430 1.405,431 3.581,432 2.046,433 1.062,434 1.5,436 2.539,437 1.043,438 2.467,439 1.19,440 3.418,441 2,442 1,443 1.318,445 2.136,446 1,447 2.203,448 1,449 3.247,450 1.777,451 0.788,452 0.924,454 1.498,455 0.779,456 1.788,457 0.763,458 3.238,459 1.457,460 0.488,461 0.638,463 0.98,464 0.472,465 1.525,466 0.65,467 2.946,468 1.13,469 0.126,470 0.151,472 0.357,473 0.126,474 15.633,475 0.489,476 0.706,477 0.022,478 34.25,479 1.07,480 15.5,481 0.484,482 18.75,483 0.586,484 36.942,485 1.154,486 34.167,487 0.518,488 26.171,489 0.818,490 6.293,491 0.197,492 9.259,493 0.289,494 0.117,495 0.032,496 0.256,501 0.705,502 1.145,503 0.937,504 1.057,505 0.635,506 1.017,507 0.597,508 1.123,509 0.915,510 1.04,511 0.542,512 1.004,513 0.99,514 1.118,515 0.986,516 1.024,517 0.877,518 1.005,519 0.888,520 1.063,521 0.963,522 0.987,523 0.688,524 0.976,525 1.159,526 1.042,527 1.11,528 1.021,529 0.933,530 1.047,531 0.805,532 1.013,533 0.959,534 1.006,535 0.804,536 0.993,537 1.105,538 1.002,539 1.065,540 1.024,541 1.032,542 1.037,543 0.848,544 0.968,545 1.013,546 1.022,547 0.821,548 1.027,549 7,550 0.235,551 3.556,552 2.688,553 2.182,554 1.264,555 0.814,556 0.622,557 0.461,558 0.315,559 12507,560 25011,561 2.074,562 51.5,563 18,564 10,566 1,567 1,569 4,572 1.754,573 1.949,574 3.284,575 -0.496,582 83.075,583 1.259,584 3.468,585 4.887,586 5.483,587 5.525,588 5.525,589 2.608,590 4.367,591 4.969,592 3.482,593 1727.32,594 8.747,595 24762.9,600 398.93,601 1.478,602 4.929,603 0.2,604 0.007,605 0.073,606 0.049,607 0.04,608 0.025,609 0.016,610 0.013,611 0.01,612 0.007,613 0.438,614 0.5,615 0.88,616 1.25,617 164.941,618 0.006,619 -0.001,620 0.047,621 0.031,622 -0.026,623 0.04,624 0.175,625 -0.044,626 0.068,627 0.002,628 0.11,629 0.022,630 -0.017,631 -0.063,632 0.007,633 -0.019,634 -0.022,635 -0.008,636 0.038,637 -0.018,638 0.028,639 -0.004,640 0.031,641 0.008,642 -0.126,643 0.007,644 -0.113,645 -0.049,646 -0.1,647 -0.073,648 0.094,649 -0.022,650 0.022,651 -0.018,652 0.064,653 -0.005,654 -0.086,655 0.003,656 -0.077,657 -0.036,658 -0.047,659 -0.051,660 -0.038,661 0.01,662 -0.041,663 -0.023,664 -0.001,665 -0.029,666 1.699,667 5.064,668 0.594,669 30.063,670 0.98,671 1.119,672 4.974,673 24.738,674 0.661,675 3.584,676 3.912,677 4.22,678 4.564,679 4.852,680 5.017,681 5.153,682 5.298,683 5.328,684 5.352,685 6.424,686 0.609,687 426.65,688 3.584,689 5.13,690 5.994,691 6.901,692 7.797,693 8.722,694 9.635,695 10.571,696 11.494,697 12.437,698 3,705 1,707 1,715 5,720 1,722 6,741 66,743 13,744 1,745 35,747 69,748 29,749 6,750 1,751 5,752 8,756 4,757 7,763 3,767 2,768 2,770 6,772 18,773 11,774 2,777 7,782 1,784 6,785 1,786 6,793 34,794 3,795 1,796 3,802 2,808 0.5,809 1,829 4,831 1,833 1,835 1,839 1,843 1,849 6,850 4,859 2,864 3,868 32,876 6,877 1,880 1,882 1,893 1.5,896 1,901 16.417,902 12.617,903 7.222,904 4.471,907 2.878,908 1.368,909 0.966,910 6.866,911 10.697,912 3.829,913 4.35,914 4.873,915 5.408,916 5.933,917 6.213,918 6.566,919 6.902,920 7.197,921 7.442,922 0.857,923 55,924 11.9,926 5.015,927 0.026,929 7.492,931 23.569,933 19.855,936 1.992,937 63.75,941 388.446,942 168.882,943 34.796,945 25.145,948 168.882,949 413.591,950 34.796,951 26.476,952 33.218,953 94.762,954 53.425,955 32.713,957 376.675,959 388.446,960 203.678,961 25.145,964 341.362,965 72.229,968 76.479,969 68.014,970 59.185,972 388.446,973 59.941,974 168.882,977 388.446,978 38.596,979 130.286,980 18.011,981 41.93,982 388.446,983 59.941,984 168.882,986 0.568,987 0.336,988 0.198,989 0.115,990 23,991 10,992 0.101,993 7,994 3,995 1.263,996 4.13,997 304.666,998 0.316,999 18,1000 156,1005 22.429,1006 9.796,1007 4.716,1009 59.941,1010 10.505,1015 1.208,1017 18.011,1018 617.27,1019 45,1024 12.064,1026 12.642,1027 5.359,1028 6.136,1031 64.669,1032 73.849,1034 0.208,1035 0.574,1036 0.808,1037 0.907,1038 0.914,1039 0.914,1040 5.091,1041 1.622,1042 5.999,1043 5.655,1044 4.595,1045 5.037,1046 2.229,1047 6.897,1048 4.579,1049 6.298,1050 1.424,1051 7.607,1052 3.539,1053 4.29,1054 4.758,1055 0.747,1056 8.257,1057 4.264,1058 7.62,1059 1.275,1060 9.344,1061 3.169,1062 6.282,1063 7.125,1064 2.341,1065 11.435,1066 6.241,1067 8.982,1068 1.062,1069 11.169,1070 3.006,1071 6.868,1072 7.662,1073 1.478,1074 13.766,1075 6.806,1076 10.382,1077 1,1078 13.061,1079 2.539,1080 8.362,1081 9.495,1082 2.664,1083 16.605,1084 8.285,1085 11.812,1086 0.788,1087 15.003,1088 2.136,1089 9.367,1090 10.437,1091 2.2,1092 19.242,1093 9.266,1094 13.266,1095 0.488,1096 16.982,1097 1.498,1098 10.705,1099 12.039,1100 3.105,1101 22.011,1102 10.589,1103 3.699,1104 0.126,1105 18.989,1106 0.98,1107 11.892,1108 13.199,1109 2.913,1110 24.729,1111 11.754,1112 2.675,1113 15.6,1114 21.017,1115 0.357,1116 13.193,1117 14.695,1118 3.624,1119 27.482,1120 13.039,1121 2.645,1122 8.706,1123 23.061,1124 4.173,1125 14.453,1126 15.973,1127 3.616,1128 30.221,1129 14.279,1130 2.473,1131 8.166,1132 25.116,1133 3.608,1134 15.751,1135 17.422,1136 4.196,1137 32.97,1138 15.559,1139 2.229,1140 7.676,1141 27.18,1142 3.353,1143 17.039,1144 18.764,1145 4.309,1146 35.715,1147 16.83,1148 2.133,1149 6.107,1150 29.249,1151 3.013,1152 18.34,1153 20.193,1154 4.803,1155 38.462,1156 18.113,1157 1.997,1158 6,1159 31.323,1160 2.857,1161 19.64,1162 21.572,1163 4.996,1164 41.209,1165 19.396,1166 12124,1167 17300,1168 23.345,1169 43.648,1170 53.317,1171 52.756,1172 54.576,1173 51.236,1174 51.273,1175 63.979,1176 9.122,1177 150.265,1178 50.888,1179 5.828,1180 6.145,1181 7.962,1182 5.723,1183 5.699,1184 7.173,1185 2.527,1186 24.202,1187 5.639,1188 15.074,1189 1.523,1190 1.507,1191 1.559,1192 1.464,1193 1.465,1194 1.828,1195 0.261,1196 4.293,1197 1.454,1198 4.086,1199 4.117,1200 4.032,1201 4.016,1202 7.43,1203 4.016,1204 3.928,1205 3.958,1206 3.858,1207 3.876,1208 4.841,1209 3.868,1210 3.731,1211 3.79,1212 3.637,1213 3.626,1214 4.731,1215 3.61,1216 3.699,1217 3.735,1218 3.589,1219 3.581,1220 4.481,1221 3.586,1222 3.53,1223 3.591,1224 3.392,1225 3.407,1226 4.364,1227 3.395,1228 3.447,1229 3.513,1230 3.296,1231 3.337,1232 4.186,1233 3.319,1234 3.252,1235 3.327,1236 3.092,1237 3.113,1238 4.167,1239 3.097,1240 3.215,1241 3.293,1242 3.07,1243 3.036,1244 3.976,1245 3.033,1246 0.139,1247 0.118,1248 0.23,1249 0.134,1250 0.106,1251 4.862,1252 0.119,1253 4.145,1254 0.04,1255 8.052,1256 0.446,1257 4.683,1258 0.104,1259 3.699,1260 4.173,1261 1.398,1262 15.6,1263 3.639,1264 2.044,1265 2.017,1266 2.147,1267 2.134,1268 1.472,1269 2.139,1270 1.931,1271 1.904,1272 2.062,1273 2.008,1274 1.342,1275 2.028,1276 1.751,1277 1.696,1278 1.988,1279 1.898,1280 1.118,1281 1.932,1282 1.666,1283 1.633,1284 1.811,1285 1.82,1286 0.958,1287 1.816,1288 1.537,1289 1.48,1290 1.77,1291 1.694,1292 0.948,1293 1.722,1294 1.475,1295 1.415,1296 1.751,1297 1.642,1298 0.841,1299 1.683,1300 1.271,1301 1.203,1302 1.559,1303 1.461,1304 0.794,1305 1.497,1306 1.214,1307 1.136,1308 1.514,1309 1.441,1310 0.625,1311 1.473,1312 4.263,1314 5.587,1316 7.133,1318 8.805,1320 10.554,1322 6.574,1328 6.295,1329 3.109,1332 0.29,1334 -0.434,1340 40.186,1341 83.075,1342 228.894,1343 322.526,1344 361.91,1345 364.665,1346 364.665,1347 59.16,1348 7.819,1349 45.22,1350 45.22,1351 24,1352 12.935,1353 3.807,1354 3.459,1355 51.389,1356 119,1357 142,1358 0.205,1359 247.686,1360 454.31,1361 596.113,1362 25082,1364 22.554,1365 0.705,1366 0.61,1367 22.554,1368 19.526,1369 15.552,1370 0.444,1371 0.341,1372 11.883,1373 15.357,1374 11.451,1375 9.614,1376 15.552,1377 11.93,1378 13.714,1379 0.28,1380 0.187,1381 13.714,1382 9.165,1383 11.395,1384 0.17,1385 0.101,1386 11.395,1387 6.75,1388 10.269,1389 0.108,1390 0.056,1391 10.269,1392 5.362,1393 8.531,1394 0.067,1395 0.03,1396 8.531,1397 3.843,1398 0.314,1399 94.724,1400 0.207,1401 29.3,1402 0.59,1403 168,1404 357.714,1405 174.322,1406 361.439,1407 507.28,1408 340,1409 200,1410 380.355,1411 206.157,1412 393.923,1413 579.07,1414 372,1415 7.292}
{0 CHEMBL594187,1 1.305,2 10.179,3 4.361,4 19.017,5 119.396,6 6.862,7 0.194,8 4.054,9 4.176,10 3.561,11 3.682,12 5.087,13 3.625,14 4.598,15 4.773,16 3.948,17 4.1,18 5.579,19 4.023,20 4.884,21 5.073,22 4.087,23 4.305,24 5.844,25 4.209,26 5.044,27 5.279,28 4.087,29 4.355,30 5.921,31 4.235,32 5.087,33 5.324,34 3.994,35 4.367,36 5.968,37 4.223,38 5.1,39 5.367,40 3.892,41 4.296,42 5.98,43 4.127,44 4.98,45 5.25,46 3.727,47 4.158,48 5.849,49 3.989,50 4.876,51 5.148,52 3.596,53 4.061,54 5.724,55 3.882,56 0.048,57 0.716,58 11.636,59 5.248,60 9.667,61 7.194,62 0.151,63 1.211,64 21.063,65 9.043,66 21.952,67 12.635,68 0.179,69 1.61,70 28.565,71 11.663,72 32.985,73 16.3,74 0.258,75 1.871,76 34.616,77 13.602,78 37.619,79 19.401,80 0.269,81 1.929,82 36.268,83 14.192,84 44.627,85 20.188,86 0.279,87 1.867,88 37.404,89 15.267,90 50.217,91 21.708,92 0.251,93 1.652,94 33.443,95 13.235,96 47.045,97 18.733,98 0.202,99 1.468,100 30.014,101 12.321,102 39.699,103 17.384,104 18,105 45,106 0.215,107 0.581,108 0.76,109 0.86,110 0.869,111 0.869,112 3.376,113 0.955,114 -5.4,115 -5.29,116 -4.94,121 46.3,122 3,123 2,124 1,132 1,137 5,138 4,140 1,144 5,145 1,156 1,160 1,176 19,180 5,183 1,185 3,187 24,192 7,197 2,200 22,206 8,209 1,211 3,214 24,219 3,224 2,227 21,231 1,232 5,237 3,239 21,244 3,249 2,251 20,256 3,261 1,264 19,269 2,274 2,277 21,281 1334,282 18.919,283 18.919,284 18.919,285 18.919,286 18.919,287 16.602,288 20.493,289 11.03,290 18.994,291 15.25,292 15.25,293 15.25,294 15.25,295 15.25,296 11.908,297 25.897,298 5.148,299 15.371,300 4.45,301 2.231,302 1.142,303 0.537,304 0.486,305 0.486,306 4.071,311 1,312 1,313 620,314 3.674,318 277.76,320 82.99,322 106.974,324 126.616,325 1.263,326 18.076,329 0.75,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.86,337 58,338 285,339 4.862,340 4.145,341 8.052,342 4.683,343 3.699,344 4.173,345 1.398,346 15.6,347 3.639,348 4.057,349 3.481,350 6.179,351 3.643,352 2.658,353 3.595,354 1.081,355 8.706,356 2.623,357 4.02,358 2.93,359 5.873,360 3.618,361 2.621,362 3.353,363 0.717,364 8.159,365 2.608,366 3.716,367 2.756,368 5.483,369 3.463,370 2.473,371 2.977,372 0.68,373 7.387,374 2.445,375 3.567,376 2.688,377 5.112,378 3.138,379 2.134,380 2.835,381 0.473,382 6,383 2.14,384 3.484,385 2.566,386 4.956,387 3.113,388 2.118,389 2.67,390 0.212,391 5.666,392 2.107,393 3.402,394 2.299,395 4.821,396 3.014,397 1.995,398 2.487,400 5.486,401 2.021,402 2.873,403 1.575,404 4.316,405 2.421,406 1.425,407 1.998,409 3.522,410 1.419,411 2.717,412 1.481,413 4.068,414 2.251,415 1.271,416 1.618,418 3.038,419 1.242,420 2.5,421 1.404,422 3.593,423 2.033,424 1.047,425 1.5,427 2.527,428 1.031,429 2.473,430 1.144,431 3.419,432 2,433 1,434 1.31,436 2.136,437 1,438 2.194,439 1,440 3.247,441 1.52,442 0.565,443 0.831,445 1.256,446 0.538,447 1.525,448 0.761,449 3.235,450 1.13,451 0.126,452 0.152,454 0.357,455 0.126,456 1.098,457 0.441,458 2.943,459 0.866,460 -0.138,461 -0.149,463 -0.241,464 -0.138,465 1.045,466 0.339,467 2.679,468 0.801,469 -0.2,470 -0.244,472 -0.482,473 -0.2,474 13.633,475 0.487,476 0.744,477 0.027,478 32.25,479 1.152,480 15.5,481 0.554,482 16.75,483 0.598,484 28.511,485 1.018,486 28.967,487 0.536,488 24.174,489 0.863,490 6.342,491 0.227,492 7.172,493 0.256,494 0.134,495 0.037,496 0.293,501 0.683,502 1.092,503 0.863,504 0.988,505 0.634,506 0.944,507 0.579,508 1.062,509 0.826,510 0.957,511 0.538,512 0.917,513 1.05,514 1.203,515 1.058,516 1.097,517 0.934,518 1.078,519 0.906,520 1.044,521 0.98,522 0.979,523 0.682,524 0.977,525 1.109,526 1.076,527 1.171,528 1.083,529 0.909,530 1.115,531 0.731,532 1.019,533 0.966,534 1.038,535 0.773,536 1.023,537 1.103,538 0.942,539 1.036,540 0.983,541 1.058,542 0.999,543 0.918,544 0.926,545 1.005,546 1.005,547 0.969,548 1.012,549 7,550 0.111,551 3.556,552 2.688,553 2.182,554 1.264,555 0.793,556 0.484,557 0.301,558 0.152,559 8983,560 19791,561 2.085,562 48.1,563 10,564 10,566 1,567 1,569 4,572 1.716,573 1.942,574 3.227,575 -0.465,577 1,582 70.456,583 1.305,584 3.524,585 4.613,586 5.217,587 5.269,588 5.269,589 2.598,590 4.28,591 4.775,592 3.418,593 1292.12,594 8.338,595 16417.2,597 1,600 310.764,601 1.572,602 4.728,603 0.226,604 0.006,605 0.079,606 0.054,607 0.045,608 0.029,609 0.021,610 0.015,611 0.011,612 0.005,613 0.49,614 0.67,615 1,616 0.744,617 137.877,618 -0.003,620 0.048,621 0.035,622 -0.055,623 0.043,624 0.181,625 -0.008,626 0.113,627 0.047,628 0.105,629 0.068,630 -0.072,631 -0.145,632 -0.1,633 -0.116,634 -0.076,635 -0.112,636 0.003,637 -0.003,638 -0.005,639 -0.014,640 0.018,641 -0.011,642 -0.15,643 -0.044,644 -0.195,645 -0.12,646 -0.115,647 -0.151,648 0.111,649 -0.065,650 0.013,651 -0.054,652 0.072,653 -0.032,654 -0.07,655 0.022,656 -0.042,657 -0.009,658 -0.024,659 -0.019,660 -0.027,661 0.012,662 -0.023,663 -0.017,664 -0.012,665 -0.017,666 1.708,667 4.917,668 0.679,669 24.306,670 0.984,671 1.115,672 4.174,673 17.426,674 0.678,675 3.466,676 3.829,677 4.143,678 4.5,679 4.787,680 4.934,681 5.05,682 5.165,683 5.17,684 5.159,685 5.938,686 0.631,687 370.53,688 3.466,689 5.03,690 5.905,691 6.825,692 7.729,693 8.663,694 9.58,695 10.522,696 11.447,697 12.394,698 3.7,705 1,707 1,715 5,720 1,722 6,741 54,743 13,744 1,745 31,747 57,748 25,749 6,750 1,751 5,752 8,756 4,757 7,763 3,767 2,768 2,770 2,772 18,773 7,774 2,777 7,782 1,784 6,785 1,786 6,790 1,793 26,794 3,795 1,796 3,802 2,808 0.5,809 1,829 4,831 1,833 1,835 1,839 1,843 1,849 6,850 4,859 2,864 3,868 28,876 2,877 1,880 1,882 1,893 1.9,896 1,901 14.417,902 10.617,903 6.139,904 3.346,907 2.993,908 1.391,909 0.98,910 4.869,911 10.647,912 3.738,913 4.297,914 4.826,915 5.367,916 5.889,917 6.152,918 6.486,919 6.799,920 7.085,921 7.33,922 0.857,923 50,924 10.379,926 4.437,927 0.026,929 7.563,931 20.303,933 17.193,936 2.063,937 57.75,939 1,940 1,941 294.278,942 158.744,943 34.796,945 25.145,948 158.744,949 319.422,950 34.796,951 26.476,952 23.08,953 94.762,954 53.425,955 32.713,957 282.506,959 294.278,960 193.54,961 25.145,964 247.193,965 72.229,968 66.341,969 68.014,970 59.185,972 294.278,973 59.941,974 158.744,977 294.278,978 28.458,979 130.286,980 18.011,981 41.93,982 294.278,983 59.941,984 158.744,986 0.583,987 0.347,988 0.206,989 0.12,990 23,991 10,992 0.053,993 3,994 3,995 1.263,996 3.816,997 257.646,998 0.316,999 18,1000 130.606,1005 18.59,1006 7.334,1007 3.421,1009 59.941,1010 10.296,1015 1.168,1017 18.011,1018 512.963,1019 41,1024 11.917,1026 12.296,1027 5.18,1028 5.911,1031 53.134,1032 60.188,1034 0.227,1035 0.612,1036 0.802,1037 0.907,1038 0.915,1039 0.915,1040 5.014,1041 1.425,1042 5.932,1043 5.486,1044 4.511,1045 4.984,1046 2.229,1047 6.851,1048 4.493,1049 6.245,1050 1.271,1051 7.557,1052 3.522,1053 4.29,1054 4.758,1055 0.747,1056 8.242,1057 4.264,1058 7.58,1059 1.047,1060 9.307,1061 3.038,1062 6.229,1063 7.099,1064 2.341,1065 11.418,1066 6.185,1067 8.951,1068 1,1069 11.142,1070 2.527,1071 6.858,1072 7.652,1073 1.478,1074 13.759,1075 6.795,1076 10.358,1077 0.565,1078 13.04,1079 2.136,1080 8.332,1081 9.479,1082 2.664,1083 16.6,1084 8.253,1085 11.791,1086 0.126,1087 14.987,1088 1.256,1089 9.356,1090 10.426,1091 2.2,1092 19.24,1093 9.255,1094 13.249,1095 -0.138,1096 16.97,1097 0.357,1098 10.689,1099 12.026,1100 3.105,1101 22.009,1102 10.571,1103 3.699,1104 -0.2,1105 18.98,1106 -0.241,1107 11.884,1108 13.188,1109 2.913,1110 24.728,1111 11.745,1112 2.658,1113 15.6,1114 21.011,1115 -0.482,1116 13.185,1117 14.684,1118 3.624,1119 27.481,1120 13.029,1121 2.621,1122 8.706,1123 23.056,1124 4.173,1125 14.448,1126 15.963,1127 3.616,1128 30.221,1129 14.273,1130 2.473,1131 8.159,1132 25.113,1133 3.595,1134 15.746,1135 17.412,1136 4.196,1137 32.969,1138 15.554,1139 2.134,1140 7.387,1141 27.177,1142 3.353,1143 17.036,1144 18.756,1145 4.309,1146 35.715,1147 16.826,1148 2.118,1149 6,1150 29.248,1151 2.977,1152 18.337,1153 20.186,1154 4.803,1155 38.462,1156 18.11,1157 1.995,1158 5.666,1159 31.322,1160 2.835,1161 19.638,1162 21.564,1163 4.996,1164 41.209,1165 19.393,1166 8607,1167 12878,1168 20.572,1169 36.603,1170 48.395,1171 47.753,1172 49.305,1173 46.224,1174 46.266,1175 58.995,1176 9.122,1177 139.678,1178 45.882,1179 5.828,1180 6.145,1181 7.854,1182 5.723,1183 5.699,1184 7.173,1185 2.527,1186 24.202,1187 5.639,1188 13.39,1189 1.561,1190 1.54,1191 1.59,1192 1.491,1193 1.492,1194 1.903,1195 0.294,1196 4.506,1197 1.48,1198 4.083,1199 4.114,1200 4.03,1201 4.014,1202 7.43,1203 4.013,1204 3.919,1205 3.948,1206 3.851,1207 3.869,1208 4.845,1209 3.861,1210 3.701,1211 3.736,1212 3.635,1213 3.581,1214 4.731,1215 3.587,1216 3.588,1217 3.639,1218 3.492,1219 3.488,1220 4.491,1221 3.482,1222 3.448,1223 3.513,1224 3.298,1225 3.337,1226 4.364,1227 3.32,1228 3.245,1229 3.316,1230 3.084,1231 3.11,1232 4.182,1233 3.093,1234 3.176,1235 3.244,1236 3.064,1237 3.006,1238 4.029,1239 3.012,1240 2.889,1241 2.974,1242 2.761,1243 2.756,1244 3.839,1245 2.737,1246 0.157,1247 0.134,1248 0.26,1249 0.151,1250 0.119,1251 4.862,1252 0.135,1253 4.145,1254 0.045,1255 8.052,1256 0.503,1257 4.683,1258 0.117,1259 3.699,1260 4.173,1261 1.398,1262 15.6,1263 3.639,1264 2.043,1265 2.017,1266 2.147,1267 2.133,1268 1.472,1269 2.139,1270 1.925,1271 1.898,1272 2.045,1273 1.998,1274 1.126,1275 2.016,1276 1.667,1277 1.634,1278 1.811,1279 1.82,1280 0.949,1281 1.816,1282 1.591,1283 1.545,1284 1.791,1285 1.73,1286 0.869,1287 1.752,1288 1.476,1289 1.415,1290 1.751,1291 1.642,1292 0.836,1293 1.683,1294 1.266,1295 1.2,1296 1.558,1297 1.454,1298 0.784,1299 1.493,1300 1.148,1301 1.085,1302 1.432,1303 1.375,1304 0.569,1305 1.397,1306 0.925,1307 0.849,1308 1.271,1309 1.143,1310 0.337,1311 1.193,1312 4.143,1314 5.493,1316 7.062,1318 8.752,1320 10.515,1322 6.375,1328 1.676,1329 3.068,1332 0.292,1334 -0.429,1340 34.079,1341 70.456,1342 190.288,1343 249.115,1344 281.744,1345 284.499,1346 284.499,1347 46.144,1348 7.654,1349 45.22,1350 45.22,1351 24,1352 12.889,1353 3.807,1354 3.459,1355 42.209,1356 93,1357 120,1358 0.212,1359 209.316,1360 385.11,1361 502.492,1362 20824,1364 19.725,1365 0.704,1366 0.596,1367 19.725,1368 16.698,1369 13.514,1370 0.436,1371 0.318,1372 9.822,1373 13.319,1374 9.417,1375 7.881,1376 13.514,1377 9.869,1378 12.457,1379 0.277,1380 0.175,1381 12.457,1382 7.877,1383 10.333,1384 0.167,1385 0.093,1386 10.333,1387 5.761,1388 9.463,1389 0.106,1390 0.053,1391 9.463,1392 4.714,1393 7.906,1394 0.066,1395 0.029,1396 7.906,1397 3.422,1398 0.324,1399 82.496,1400 0.22,1401 26.239,1402 0.612,1403 152,1404 341.714,1405 158.322,1406 345.157,1407 483.28,1408 324,1409 183,1410 362.355,1411 189.157,1412 376.171,1413 552.12,1414 354,1415 7.602}
{0 CHEMBL594629,1 1.097,2 18.438,3 8.475,4 71.822,5 140.876,6 5.351,7 0.364,8 4.407,9 4.566,10 3.669,11 3.928,12 5.216,13 3.822,14 5.017,15 5.259,16 3.974,17 4.346,18 5.697,19 4.2,20 5.342,21 5.609,22 3.99,23 4.562,24 6.01,25 4.358,26 5.51,27 5.834,28 3.848,29 4.559,30 6.078,31 4.301,32 5.38,33 5.708,34 3.675,35 4.387,36 5.925,37 4.122,38 5.206,39 5.548,40 3.559,41 4.197,42 5.693,43 3.962,44 5.015,45 5.302,46 3.534,47 4.179,48 5.575,49 3.952,50 5.161,51 5.488,52 3.501,53 4.211,54 5.661,55 3.955,56 0.105,57 1.103,58 20.718,59 8.563,60 12.896,61 12.579,62 0.198,63 1.793,64 34.914,65 14.011,66 20.317,67 20.789,68 0.238,69 2.306,70 45.779,71 19.143,72 32.134,73 27.965,74 0.25,75 2.432,76 49.763,77 21.041,78 35.437,79 30.617,80 0.244,81 2.124,82 43.746,83 17.577,84 29.648,85 26.08,86 0.258,87 1.778,88 36.911,89 13.598,90 20.419,91 20.829,92 0.159,93 1.59,94 31.896,95 13.574,96 16.611,97 19.703,98 0.177,99 1.707,100 34.969,101 14.795,102 19.027,103 21.52,104 41,105 44,106 0.169,107 0.373,108 0.509,109 0.548,110 0.583,111 0.612,112 3.5,113 1.214,114 -6.87,115 -6.67,116 -6.18,121 36.6,122 6,123 10,125 2,127 2,144 4,145 2,147 4,176 21,187 26,189 6,200 19,203 4,214 10,216 4,227 11,229 8,239 12,241 2,251 17,253 2,264 16,266 2,277 15,279 2,281 2108,282 20.739,283 20.739,284 20.739,285 20.739,286 20.739,287 19.368,288 21.614,289 12.739,290 20.97,291 16.331,292 16.331,293 16.331,294 16.331,295 16.331,296 14.247,297 16.765,298 6.146,299 16.694,300 5.261,301 3.942,302 3.061,303 2.806,304 2.58,305 2.397,306 4.168,312 1,313 1208,314 5.099,318 278.799,325 3.008,326 8.909,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 65,338 590,339 4.439,340 3.538,341 7.111,342 4.312,343 3.313,344 3.834,346 11.657,347 3.311,348 4.439,349 3.538,350 7.111,351 4.312,352 3.313,353 3.834,355 11.657,356 3.311,357 3.82,358 2.609,359 5.355,360 3.428,361 2.498,362 3.162,364 7.008,365 2.324,366 3.82,367 2.609,368 5.355,369 3.428,370 2.498,371 3.162,373 7.008,374 2.323,375 2.989,376 1.935,377 4.586,378 2.934,379 1.935,380 2.08,382 4.723,383 1.933,384 2.972,385 1.789,386 4.586,387 2.778,388 1.78,389 2.076,391 4.723,392 1.776,393 2.902,394 1.703,395 3.936,396 2.66,397 1.67,398 1.921,400 3.859,401 1.652,402 2.718,403 1.617,404 3.759,405 2.573,406 1.587,407 1.726,409 3.468,410 1.561,411 2.5,412 1.378,413 3.503,414 2.361,415 1.372,416 1.5,418 2.885,419 1.355,420 2.5,421 1.037,422 3.414,423 2.023,424 1.032,425 1.5,427 2.275,428 1.021,429 2.438,430 1,431 3.414,432 1.984,433 1,434 1.436,436 2.275,437 0.983,438 2.089,439 1,440 3.214,441 1.984,442 1,443 1.075,445 2.165,446 0.983,447 1.705,448 0.664,449 2.95,450 1.629,451 0.64,452 0.67,454 1.36,455 0.633,456 1.334,457 0.304,458 2.778,459 1.226,460 0.241,461 0.256,463 0.524,464 0.237,465 1.051,466 -0.009,467 2.641,468 0.868,469 -0.113,470 -0.124,472 -0.252,473 -0.111,474 15.8,475 0.494,476 0.926,477 0.029,478 28,479 0.875,480 10,481 0.313,482 18,483 0.563,484 41.463,485 1.296,486 38.2,487 0.466,488 15.633,489 0.489,490 3.935,491 0.123,492 11.225,493 0.351,494 0.19,495 0.063,496 0.114,501 1.136,502 1.513,503 1.223,504 1.358,505 1.367,506 1.306,507 1.469,508 1.134,509 1.107,510 1.072,511 0.69,512 1.074,513 1.195,514 1.217,515 1.231,516 1.23,517 1.215,518 1.232,519 0.773,520 0.989,521 0.963,522 0.999,523 1.066,524 0.991,525 0.962,526 1.094,527 0.997,528 1.043,529 1.105,530 1.025,531 1.979,532 0.714,533 0.957,534 0.722,535 0.858,536 0.782,537 0.978,538 1.158,539 1.166,540 1.187,541 0.987,542 1.185,543 0.815,544 0.946,545 0.953,546 0.968,547 0.827,548 0.967,549 7.5,550 0.124,551 3.333,552 1.375,553 0.844,554 0.833,555 0.325,556 0.243,557 0.189,558 0.151,559 19013,560 26723,561 1.929,562 61,563 34,564 8,566 4,569 4,572 1.729,573 1.794,574 4.087,575 -0.929,582 89.92,583 1.097,584 2.416,585 3.296,586 3.552,587 3.777,588 3.96,589 3.453,590 3.453,591 4.976,592 4.385,593 2174.74,594 8.613,595 39670.5,600 521.319,601 1.502,602 4.908,603 0.227,604 0.006,605 0.076,606 0.034,607 0.025,608 0.031,609 0.012,610 0.01,611 0.008,612 0.007,613 0.435,614 0.5,615 0.75,616 0.859,617 180.676,618 0.151,619 -0.158,620 0.04,621 -0.059,622 -0.087,623 -0.022,624 -0.029,625 0.048,626 0.034,627 0.048,628 0.292,629 0.044,630 -0.13,631 -0.119,632 -0.163,633 -0.148,634 -0.086,635 -0.155,636 0.018,637 -0.039,638 -0.008,639 -0.024,640 -0.033,641 -0.019,642 0.055,643 -0.143,644 -0.034,645 -0.092,646 -0.113,647 -0.072,648 -0.206,649 0.253,650 0.035,651 0.159,652 -0.018,653 0.117,654 -0.098,655 -0.116,656 -0.143,657 -0.137,658 -0.141,659 -0.141,660 -0.005,661 0.001,663 0.001,664 -0.023,665 0.001,666 1.004,667 0.34,668 0.375,669 45.109,670 0.968,671 1.134,672 5.635,673 31.756,674 0.613,675 3.526,676 3.807,677 3.871,678 3.932,679 4.06,680 4.111,681 4.025,682 3.761,683 3.738,684 3.714,685 11.183,686 0.545,687 438.82,688 3.526,689 5.043,690 5.82,691 6.658,692 7.455,693 8.297,694 9.104,695 9.95,696 10.763,697 11.613,698 2.4,708 2,715 8,720 2,721 2,722 12,741 82,743 12,745 33,747 83,748 30,749 10,756 2,757 2,763 6,764 2,770 10,772 10,773 20,793 50,796 2,802 2,803 2,808 1,822 2,829 2,859 2,864 6,868 32,876 12,882 2,901 17.833,902 16.167,903 7.083,904 5.736,907 1.852,908 1.265,909 0.902,910 11.219,911 8.833,912 3.689,913 4.159,914 4.549,915 4.947,916 5.412,917 5.452,918 5.448,919 4.943,920 4.935,921 4.928,922 0.917,923 41,924 11.921,926 4.67,927 0.026,929 7.245,931 24.45,933 19.859,936 1.745,937 55.833,941 588.555,942 162.974,943 3.798,948 162.974,949 588.555,950 3.798,951 52.951,952 29.557,953 37.905,954 50.883,955 42.561,957 541.471,959 588.555,960 166.772,964 541.471,965 47.084,968 118.698,969 44.276,970 3.798,972 588.555,973 3.798,974 162.974,977 588.555,978 35.928,979 130.844,982 588.555,983 3.798,984 162.974,986 0.576,987 0.294,988 0.131,989 0.068,990 16,991 8,992 0.181,993 15,995 1,996 4.62,997 236.436,999 12,1000 110.49,1005 26.872,1006 13.359,1007 10.873,1010 18.117,1015 2.838,1016 4.679,1018 755.327,1019 39,1031 79.41,1032 92.961,1034 0.172,1035 0.38,1036 0.519,1037 0.559,1038 0.594,1039 0.623,1040 4.92,1041 1.587,1042 5.838,1043 3.859,1044 4.489,1045 4.844,1047 6.624,1048 4.449,1049 6.101,1050 1.372,1051 7.401,1052 3.468,1053 4.29,1054 4.635,1056 7.941,1057 4.245,1058 7.399,1059 1.032,1060 9.1,1061 2.885,1062 6.151,1063 6.893,1065 10.841,1066 6.084,1067 8.738,1068 1,1069 10.889,1070 2.275,1071 6.781,1072 7.449,1074 12.96,1075 6.728,1076 10.116,1077 1,1078 12.734,1079 2.275,1080 8.193,1081 9.263,1083 15.532,1084 8.127,1085 11.519,1086 0.64,1087 14.617,1088 2.165,1089 9.164,1090 10.16,1092 17.884,1093 9.117,1094 12.941,1095 0.241,1096 16.524,1097 1.36,1098 10.427,1099 11.771,1101 20.375,1102 10.374,1103 3.313,1104 -0.113,1105 18.447,1106 0.524,1107 11.534,1108 12.846,1110 22.797,1111 11.495,1112 3.313,1113 11.657,1114 20.382,1115 -0.252,1116 12.748,1117 14.348,1119 25.264,1120 12.709,1121 2.498,1122 11.657,1123 22.324,1124 3.834,1125 13.908,1126 15.524,1128 27.709,1129 13.878,1130 2.498,1131 7.008,1132 24.271,1133 3.834,1134 15.108,1135 16.963,1137 30.168,1138 15.078,1139 1.935,1140 7.008,1141 26.223,1142 3.162,1143 16.289,1144 18.202,1146 32.62,1147 16.265,1148 1.78,1149 4.723,1150 28.177,1151 3.162,1152 17.486,1153 19.603,1155 35.078,1156 17.462,1157 1.67,1158 4.723,1159 30.133,1160 2.08,1161 18.676,1162 20.88,1164 37.532,1165 18.655,1166 18892,1167 22464,1168 21.03,1169 50.285,1170 48.239,1171 47.61,1172 47.475,1173 47.772,1174 47.757,1175 56.459,1177 131.176,1178 46.804,1179 5.408,1180 5.538,1181 7.056,1182 5.348,1183 5.313,1184 6.834,1186 18.533,1187 5.277,1188 20.153,1189 1.462,1190 1.443,1191 1.439,1192 1.448,1193 1.447,1194 1.711,1196 3.975,1197 1.418,1198 4.031,1199 4.082,1200 3.954,1201 3.92,1202 4.806,1203 3.921,1204 3.982,1205 4.029,1206 3.913,1207 3.874,1208 4.773,1209 3.877,1210 3.798,1211 3.86,1212 3.64,1213 3.688,1214 4.27,1215 3.668,1216 3.703,1217 3.769,1218 3.549,1219 3.578,1220 4.265,1221 3.561,1222 3.639,1223 3.711,1224 3.491,1225 3.488,1226 4.21,1227 3.479,1228 3.561,1229 3.634,1230 3.396,1231 3.414,1232 4.057,1233 3.402,1234 3.425,1235 3.5,1236 3.234,1237 3.289,1238 3.888,1239 3.266,1240 3.231,1241 3.314,1242 3.021,1243 3.08,1244 3.702,1245 3.055,1246 0.135,1247 0.107,1248 0.215,1249 0.131,1250 0.1,1251 4.439,1252 0.116,1253 3.538,1255 7.111,1256 0.353,1257 4.312,1258 0.1,1259 3.313,1260 3.834,1262 11.657,1263 3.311,1264 1.963,1265 1.921,1266 2.111,1267 2.102,1268 1.444,1269 2.106,1270 1.961,1271 1.92,1272 2.102,1273 2.1,1274 1.36,1275 2.102,1276 1.819,1277 1.759,1278 2.055,1279 1.966,1280 1.295,1281 2.001,1282 1.725,1283 1.662,1284 1.977,1285 1.885,1286 1.266,1287 1.92,1288 1.64,1289 1.572,1290 1.891,1291 1.826,1292 1.181,1293 1.854,1294 1.571,1295 1.502,1296 1.821,1297 1.758,1298 1.032,1299 1.788,1300 1.453,1301 1.383,1302 1.732,1303 1.633,1304 0.909,1305 1.673,1306 1.266,1307 1.188,1308 1.585,1309 1.463,1310 0.808,1311 1.51,1312 4.205,1314 5.493,1316 6.952,1318 8.49,1320 10.074,1322 13.658,1328 16.048,1334 0.493,1340 44.686,1341 89.92,1342 198.113,1343 270.312,1344 291.241,1345 309.731,1346 324.751,1347 76.646,1348 6.981,1349 7.76,1350 7.76,1351 12,1352 12.179,1353 3.7,1354 2.807,1355 78.317,1356 222,1357 150,1358 0.163,1359 282.706,1360 489.84,1361 681.561,1362 12751,1364 23.452,1365 0.733,1366 0.691,1367 23.452,1368 22.104,1369 15.16,1370 0.459,1371 0.405,1372 13.288,1373 14.946,1374 12.647,1375 10.829,1376 15.16,1377 13.35,1378 14.28,1379 0.325,1380 0.271,1381 14.28,1382 11.929,1383 9.618,1384 0.205,1385 0.145,1386 9.618,1387 6.821,1388 6.915,1389 0.138,1390 0.088,1391 6.915,1392 4.415,1393 5.034,1394 0.088,1395 0.051,1396 5.034,1397 2.926,1398 0.283,1399 92.184,1400 0.218,1401 32.105,1402 0.384,1403 154,1404 226.666,1405 158.163,1406 236.778,1407 332.66,1408 222,1409 168,1410 252.507,1411 172.996,1412 268.002,1413 375.56,1414 248,1415 8.155}
{0 CHEMBL594870,1 1.396,2 10.074,3 3.538,4 12.517,5 112.017,6 7.068,7 0.2,8 4.014,9 4.129,10 3.547,11 3.607,12 5.072,13 3.568,14 4.566,15 4.733,16 3.937,17 4.027,18 5.574,19 3.97,20 4.829,21 5.005,22 4.089,23 4.242,24 5.825,25 4.168,26 4.99,27 5.208,28 4.062,29 4.302,30 5.905,31 4.192,32 5.063,33 5.314,34 3.93,35 4.298,36 5.923,37 4.153,38 4.994,39 5.254,40 3.87,41 4.21,42 5.9,43 4.059,44 4.855,45 5.099,46 3.74,47 4.093,48 5.793,49 3.949,50 4.796,51 5.064,52 3.555,53 3.93,54 5.697,55 3.769,56 0.033,57 0.69,58 10.828,59 4.956,60 8.971,61 6.544,62 0.178,63 1.156,64 20.287,65 8.455,66 24.103,67 11.396,68 0.182,69 1.52,70 26.568,71 10.744,72 32.715,73 14.614,74 0.243,75 1.767,76 32.256,77 12.677,78 38.593,79 17.793,80 0.292,81 1.857,82 35.772,83 13.593,84 47.216,85 19.433,86 0.313,87 1.646,88 33.751,89 13.718,90 47.674,91 19.402,92 0.213,93 1.455,94 29,95 11.608,96 41.96,97 16.228,98 0.207,99 1.327,100 28.096,101 10.918,102 40.585,103 15.363,104 21,105 44,106 0.234,107 0.622,108 0.804,109 0.863,110 0.863,111 0.863,112 3.341,113 0.931,114 -4.79,115 -4.7,116 -4.41,121 45.1,122 2,123 2,124 1,126 1,132 1,137 4,138 3,140 1,144 4,145 1,146 1,157 1,160 1,176 14,180 7,183 1,185 3,187 18,192 9,197 2,200 16,206 10,209 1,211 3,214 19,219 1,224 2,227 18,231 2,232 3,237 3,239 23,244 2,249 2,251 18,256 6,261 2,264 10,269 6,281 1205,282 18.375,283 18.375,284 18.375,285 18.375,286 18.375,287 16.345,288 23.852,289 10.495,290 18.629,291 14.661,292 14.661,293 14.661,294 14.661,295 14.661,296 11.627,297 29.993,298 4.778,299 14.971,300 4.276,301 1.957,302 0.868,303 0.515,304 0.515,305 0.515,306 4.037,311 1,312 1,313 591,314 3.317,318 253.785,320 77.394,322 100.059,324 118.55,325 1.199,326 20.233,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 57,338 272,339 4.862,340 4.145,341 8.052,342 4.683,343 3.699,344 4.174,345 1.398,346 15.6,347 3.639,348 4.06,349 3.481,350 6.179,351 3.646,352 2.665,353 3.663,354 1.081,355 8.706,356 2.614,357 4.019,358 2.931,359 5.874,360 3.619,361 2.638,362 3.351,363 0.86,364 8.162,365 2.588,366 3.707,367 2.858,368 5.479,369 3.458,370 2.471,371 2.935,372 0.717,373 7.326,374 2.437,375 3.534,376 2.733,377 5.113,378 3.138,379 2.171,380 2.809,381 0.68,382 6.262,383 2.139,384 3.483,385 2.567,386 5.108,387 3.123,388 2.133,389 2.67,390 0.473,391 6,392 2.061,393 3.395,394 2.42,395 4.953,396 3.015,397 1.997,398 2.486,399 0.212,400 5.655,401 2.019,402 2.742,403 1.579,404 4.322,405 2.26,406 1.284,407 1.648,409 3.531,410 1.25,411 2.514,412 1.481,413 4.083,414 2.051,415 1.072,416 1.5,418 2.615,419 1.047,420 2.5,421 1.249,422 3.483,423 2,424 1,425 1.362,427 2.275,428 1,429 2.231,430 1,431 3.414,432 1.691,433 0.754,434 0.986,436 1.568,437 0.701,438 1.655,439 0.999,440 3.243,441 1.309,442 0.424,443 0.507,445 0.679,446 0.372,447 1.523,448 0.761,449 2.961,450 1.13,451 0.126,452 0.151,454 0.357,455 0.126,456 1.056,457 0.441,458 2.82,459 0.861,460 -0.143,461 -0.153,463 -0.243,464 -0.143,465 0.902,466 0.344,467 2.668,468 0.682,469 -0.322,470 -0.404,472 -0.742,473 -0.317,474 12.967,475 0.48,476 0.706,477 0.026,478 31.25,479 1.157,480 14.5,481 0.537,482 16.75,483 0.62,484 26.441,485 0.979,486 28.433,487 0.558,488 23.682,489 0.877,490 6.206,491 0.23,492 6.846,493 0.254,494 0.141,495 0.039,496 0.308,501 0.741,502 1.153,503 0.822,504 1.038,505 0.63,506 0.952,507 0.877,508 1.022,509 0.818,510 0.901,511 0.607,512 0.862,513 1.002,514 1.187,515 1.024,516 1.067,517 0.91,518 1.047,519 0.784,520 1.159,521 1.036,522 1.084,523 0.694,524 1.082,525 0.793,526 0.993,527 1.091,528 1.016,529 0.842,530 1.062,531 0.514,532 0.921,533 0.868,534 0.97,535 0.709,536 0.965,537 0.803,538 1.004,539 1.028,540 1.051,541 1.049,542 1.06,543 0.833,544 0.985,545 0.97,546 1.043,547 0.983,548 1.024,549 7,550 0.107,551 3.778,552 2.375,553 2.173,554 1.354,555 0.633,556 0.477,557 0.274,558 0.234,559 7894,560 19063,561 2.088,562 47.1,563 7,564 11,566 1,567 1,569 4,572 1.707,573 1.94,574 3.185,575 -0.419,577 1,582 71.213,583 1.396,584 3.715,585 4.804,586 5.157,587 5.157,588 5.157,589 2.573,590 4.357,591 4.72,592 3.367,593 1181.8,594 8.233,595 14407.8,597 1,599 1,600 289.294,601 1.596,602 4.673,603 0.233,604 0.008,605 0.086,606 0.047,607 0.046,608 0.034,609 0.017,610 0.014,611 0.011,612 0.013,613 0.509,614 0.5,615 1,616 0.862,617 130.714,618 -0.007,619 -0.04,620 0.056,621 0.001,622 -0.044,623 0.031,624 0.048,625 0.04,626 0.114,627 0.108,628 0.078,629 0.113,630 -0.099,631 -0.111,632 -0.091,633 -0.075,634 -0.061,635 -0.082,636 -0.033,637 -0.11,638 -0.092,639 -0.108,640 -0.014,641 -0.109,642 -0.095,643 0.034,644 -0.133,645 -0.052,646 -0.102,647 -0.084,648 0.153,649 0.023,650 0.093,651 0.028,652 0.11,653 0.048,654 -0.044,655 -0.03,656 -0.068,657 -0.06,658 -0.041,659 -0.064,660 0.011,661 -0.049,662 0.015,663 -0.063,664 -0.005,665 -0.026,666 1.717,667 4.885,668 0.704,669 22.422,670 0.992,671 1.117,672 3.558,673 12.658,674 0.672,675 3.434,676 3.807,677 4.143,678 4.489,679 4.796,680 4.97,681 5.081,682 5.22,683 5.268,684 5.318,685 5.684,686 0.633,687 360.49,688 3.434,689 5.004,690 5.889,691 6.812,692 7.724,693 8.66,694 9.583,695 10.526,696 11.456,697 12.405,698 3.9,705 1,707 1,715 4,720 2,722 6,725 1,739 1,741 51,743 12,744 1,745 30,747 54,748 23,749 6,750 2,751 4,752 6,756 4,757 7,763 2,767 2,768 2,770 2,772 16,773 7,774 2,777 6,782 1,784 5,785 1,786 5,790 1,793 24,794 4,795 1,796 4,802 2,808 0.5,809 2,829 4,831 1,833 1,835 1,843 1,849 5,850 3,859 2,864 3,868 27,876 2,877 1,878 1,880 1,882 1,893 3.9,896 1,898 1,901 13.917,902 10.117,903 5.972,904 3.082,907 2.558,908 1.333,909 0.973,910 4.549,911 10.242,912 3.689,913 4.256,914 4.806,915 5.344,916 5.886,917 6.187,918 6.511,919 6.841,920 7.192,921 7.505,922 0.857,923 50,924 9.999,926 4.293,927 0.026,929 7.62,931 19.423,933 16.438,936 2.12,937 57.25,939 1,940 1,941 270.735,942 143.907,943 34.796,945 36.145,948 143.907,949 306.88,950 34.796,951 28.533,952 23.08,953 75.81,954 53.425,955 45.771,957 258.964,959 270.735,960 178.703,961 36.145,964 223.651,965 83.229,968 57.516,969 71.478,970 49.709,972 270.735,973 70.941,974 143.907,977 270.735,978 30.516,979 113.391,980 18.011,981 52.93,982 270.735,983 70.941,984 143.907,986 0.585,987 0.358,988 0.206,989 0.12,990 23,991 10,992 0.056,993 3,994 3,995 1.263,996 3.704,997 248.465,998 0.316,999 18,1000 124.382,1005 17.848,1006 6.882,1007 3.054,1009 70.941,1010 7.898,1015 1.859,1017 18.011,1018 485.583,1019 39,1024 11.885,1026 10.041,1027 5.137,1028 4.731,1031 50.578,1032 56.983,1034 0.246,1035 0.655,1036 0.847,1037 0.909,1038 0.909,1039 0.909,1040 4.973,1041 1.284,1042 5.922,1043 5.655,1044 4.489,1045 4.942,1046 2.377,1047 6.851,1048 4.453,1049 6.205,1050 1.072,1051 7.556,1052 3.531,1053 4.29,1054 4.771,1055 0.747,1056 8.257,1057 4.247,1058 7.547,1059 1,1060 9.312,1061 2.615,1062 6.225,1063 7.076,1064 2.441,1065 11.423,1066 6.157,1067 8.925,1068 0.754,1069 11.15,1070 2.275,1071 6.868,1072 7.681,1073 1.478,1074 13.764,1075 6.786,1076 10.337,1077 0.424,1078 13.049,1079 1.568,1080 8.335,1081 9.476,1082 2.718,1083 16.602,1084 8.236,1085 11.775,1086 0.126,1087 14.995,1088 0.679,1089 9.364,1090 10.459,1091 2.2,1092 19.241,1093 9.247,1094 13.237,1095 -0.143,1096 16.976,1097 0.357,1098 10.694,1099 12.04,1100 3.132,1101 22.01,1102 10.561,1103 3.699,1104 -0.322,1105 18.985,1106 -0.243,1107 11.89,1108 13.223,1109 2.913,1110 24.728,1111 11.74,1112 2.665,1113 15.6,1114 21.014,1115 -0.742,1116 13.188,1117 14.708,1118 3.636,1119 27.481,1120 13.023,1121 2.638,1122 8.706,1123 23.059,1124 4.174,1125 14.451,1126 15.998,1127 3.616,1128 30.221,1129 14.27,1130 2.471,1131 8.162,1132 25.115,1133 3.663,1134 15.749,1135 17.442,1136 4.201,1137 32.969,1138 15.551,1139 2.171,1140 7.326,1141 27.179,1142 3.351,1143 17.038,1144 18.79,1145 4.309,1146 35.715,1147 16.824,1148 2.133,1149 6.262,1150 29.248,1151 2.935,1152 18.339,1153 20.216,1154 4.805,1155 38.462,1156 18.109,1157 1.997,1158 6,1159 31.323,1160 2.809,1161 19.639,1162 21.597,1163 4.996,1164 41.209,1165 19.392,1166 7630,1167 11947,1168 19.879,1169 34.296,1170 46.649,1171 46.412,1172 48.26,1173 44.767,1174 44.867,1175 56.487,1176 10.842,1177 137.473,1178 43.989,1179 5.828,1180 6.145,1181 7.606,1182 5.723,1183 5.699,1184 7.174,1185 2.527,1186 24.202,1187 5.639,1188 13.417,1189 1.555,1190 1.547,1191 1.609,1192 1.492,1193 1.496,1194 1.883,1195 0.361,1196 4.582,1197 1.466,1198 4.085,1199 4.115,1200 4.032,1201 4.014,1202 7.43,1203 4.014,1204 3.9,1205 3.922,1206 3.841,1207 3.832,1208 4.914,1209 3.83,1210 3.699,1211 3.734,1212 3.633,1213 3.581,1214 4.74,1215 3.587,1216 3.45,1217 3.515,1218 3.313,1219 3.339,1220 4.487,1221 3.323,1222 3.361,1223 3.415,1224 3.256,1225 3.168,1226 4.365,1227 3.182,1228 3.242,1229 3.312,1230 3.077,1231 3.093,1232 4.201,1233 3.08,1234 3.175,1235 3.249,1236 3.016,1237 2.941,1238 4.164,1239 2.947,1240 2.931,1241 3.001,1242 2.797,1243 2.755,1244 3.839,1245 2.745,1246 0.162,1247 0.138,1248 0.268,1249 0.156,1250 0.123,1251 4.862,1252 0.139,1253 4.145,1254 0.047,1255 8.052,1256 0.52,1257 4.683,1258 0.121,1259 3.699,1260 4.174,1261 1.398,1262 15.6,1263 3.639,1264 2.045,1265 2.018,1266 2.147,1267 2.134,1268 1.472,1269 2.14,1270 1.888,1271 1.866,1272 1.996,1273 1.981,1274 1.08,1275 1.986,1276 1.666,1277 1.633,1278 1.811,1279 1.819,1280 0.949,1281 1.816,1282 1.476,1283 1.417,1284 1.751,1285 1.643,1286 0.841,1287 1.684,1288 1.303,1289 1.248,1290 1.581,1291 1.556,1292 0.793,1293 1.56,1294 1.251,1295 1.187,1296 1.558,1297 1.455,1298 0.586,1299 1.493,1300 1.146,1301 1.071,1302 1.445,1303 1.404,1304 0.566,1305 1.423,1306 0.925,1307 0.854,1308 1.244,1309 1.155,1310 0.309,1311 1.194,1312 4.111,1314 5.468,1316 7.05,1318 8.751,1320 10.521,1322 5.927,1328 1.65,1329 3.051,1330 5.239,1332 0.28,1334 -0.448,1340 32.267,1341 71.213,1342 189.461,1343 245.029,1344 263.029,1345 263.029,1346 263.029,1347 43.941,1348 7.684,1349 54.45,1350 54.45,1351 24,1352 12.898,1353 3.7,1354 3.322,1355 39.963,1356 85,1357 126,1358 0.221,1359 197.055,1360 361.94,1361 472.575,1362 20978,1364 19.018,1365 0.704,1366 0.591,1367 19.018,1368 15.951,1369 13.052,1370 0.435,1371 0.31,1372 9.226,1373 12.7,1374 8.869,1375 7.393,1376 13.052,1377 9.315,1378 11.907,1379 0.271,1380 0.167,1381 11.907,1382 7.351,1383 10.331,1384 0.167,1385 0.091,1386 10.331,1387 5.628,1388 9.24,1389 0.105,1390 0.051,1391 9.24,1392 4.527,1393 7.763,1394 0.065,1395 0.028,1396 7.763,1397 3.305,1398 0.335,1399 80.84,1400 0.224,1401 25.291,1402 0.646,1403 148,1404 371.449,1405 157.2,1406 363.44,1407 505.14,1408 342,1409 180,1410 374.9,1411 188.815,1412 385.76,1413 567.34,1414 362,1415 7.509}
{0 CHEMBL59490,1 1.285,2 7,3 1.149,4 1.321,5 63.025,6 5.895,7 0.4,8 3.587,9 3.731,10 2.945,11 3.046,12 4.576,13 2.982,14 4.133,15 4.367,16 3.209,17 3.397,18 4.956,19 3.316,20 4.345,21 4.555,22 3.212,23 3.628,24 5.168,25 3.47,26 4.616,27 4.943,28 3.13,29 3.636,30 5.275,31 3.426,32 4.368,33 4.628,34 2.956,35 3.527,36 5.174,37 3.319,38 4.37,39 4.696,40 2.796,41 3.351,42 5.042,43 3.119,44 4.048,45 4.336,46 2.428,47 2.992,48 4.842,49 2.798,50 3.682,51 3.982,52 1.88,53 2.684,54 4.441,55 2.409,56 0.046,57 0.462,58 8.707,59 3.253,60 8.702,61 4.802,62 0.167,63 0.706,64 14.766,65 4.714,66 12.942,67 7.242,68 0.11,69 0.876,70 17.772,71 7.07,72 15.292,73 10.232,74 0.166,75 0.97,76 21.754,77 8.07,78 22.023,79 12.106,80 0.178,81 0.818,82 17.612,83 6.957,84 21.834,85 10.095,86 0.115,87 0.731,88 16.882,89 6.41,90 18.507,91 9.471,92 0.181,93 0.502,94 12.832,95 4.155,96 19.764,97 6.082,98 0.059,99 0.362,100 8.41,101 3.317,102 13.209,103 4.812,104 24,105 20,106 0.243,107 0.539,108 0.753,109 0.818,110 0.818,111 0.818,112 2.793,113 1.062,114 -0.23,115 -0.37,116 -0.54,121 37.1,126 3,127 2,136 1,137 1,144 4,145 1,146 1,176 5,180 2,187 4,189 2,192 2,200 2,203 3,206 1,214 1,216 1,221 1,227 3,229 1,239 3,244 1,251 2,256 1,264 1,281 225,282 9.74,283 9.74,284 9.74,285 9.74,286 9.74,287 8.887,288 14.398,289 5.863,290 10.049,291 7.315,292 7.315,293 7.315,294 7.315,295 7.315,296 6.015,297 19.516,298 2.603,299 7.741,300 3.844,301 2.279,302 1.15,303 0.808,304 0.808,305 0.808,306 3.407,311 1,312 1,313 202,314 3.317,318 53.167,325 0.933,326 6.242,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 31.5,338 105,339 4.269,340 3.627,341 6.741,342 4.131,343 3.217,344 3.694,345 1.31,346 11.044,347 2.947,348 3.973,349 2.898,350 5.551,351 3.587,352 2.623,353 3.177,354 0.86,355 7.567,356 2.522,357 3.292,358 2.358,359 4.925,360 2.938,361 1.984,362 2.524,363 0.359,364 5.69,365 1.882,366 2.689,367 1.551,368 3.615,369 2.214,370 1.225,371 1.759,372 0.13,373 2.644,374 1.209,375 2.634,376 1.323,377 3.465,378 2.099,379 1.11,380 1.485,382 1.886,383 1.097,384 1.584,385 0.936,386 2.9,387 1.295,388 0.431,389 0.482,391 0.626,392 0.369,393 1.156,394 0.195,395 2.677,396 0.877,397 -0.097,398 -0.114,400 -0.259,401 -0.094,402 0.836,403 -0.31,404 2,405 0.43,406 -0.533,407 -0.701,409 -0.87,410 -0.51,411 0.594,412 -0.394,413 2,414 0.171,415 -0.77,416 -0.966,418 -1.674,419 -0.709,420 0.343,421 -0.6,422 2,423 -0.027,424 -1,425 -1,427 -2.889,428 -0.9,430 -0.858,431 1.629,432 -0.1,433 -1,434 -1.298,436 -3,437 -0.97,438 -0.475,439 -1.213,440 1.29,441 -0.672,442 -1.592,443 -1.859,444 -0.4,445 -4.173,446 -1.43,447 -0.5,448 -1.288,449 0.515,450 -0.777,451 -1.685,452 -1.954,453 -0.64,454 -4.77,455 -1.583,456 -0.57,457 -1.545,458 0.408,459 -0.964,460 -1.913,461 -2.227,462 -0.759,463 -5.454,464 -1.828,465 -0.823,466 -2,467 0.283,468 -1,469 -2,470 -3,471 -0.86,472 -6.369,473 -2,474 7.233,475 0.482,476 0.429,477 0.029,478 16.5,479 1.1,480 7.5,481 0.5,482 9,483 0.6,484 10.753,485 0.717,486 17.667,487 0.505,488 11.073,489 0.738,490 3.746,491 0.25,492 3.325,493 0.222,494 0.276,495 0.055,496 0.138,501 0.996,502 1.681,503 1.06,504 1.406,505 1.137,506 1.259,507 1.847,508 0.761,509 1.069,510 0.697,511 0.953,512 0.772,513 0.941,514 1.492,515 1.316,516 1.476,517 1.015,518 1.44,519 0.622,520 0.792,521 0.751,522 0.785,523 0.57,524 0.776,525 0.791,526 1.198,527 1.213,528 1.257,529 1.447,530 1.278,531 0.557,532 0.93,533 0.785,534 0.949,535 0.572,536 0.897,537 2.398,538 0.743,539 1.25,540 0.801,541 1.828,542 0.914,543 0.746,544 1.202,545 1.153,546 1.293,547 0.98,548 1.272,549 4.5,551 1.333,552 1.25,553 0.622,554 0.417,555 0.263,556 0.075,557 0.045,559 1377,560 2807,561 1.838,562 57.1,564 20,572 1.531,573 1.682,574 2.829,575 -0.846,577 1,579 1,582 44.981,583 1.285,584 2.851,585 3.979,586 4.322,587 4.322,588 4.322,589 2.232,590 3.774,591 3.877,592 2.903,593 304.843,594 6.502,595 2535.65,597 1,600 179.525,601 1.64,602 3.79,603 0.3,605 0.067,606 0.069,607 0.037,608 0.032,609 0.024,610 0.011,611 0.015,613 0.554,614 0.83,615 1,616 1.938,617 58.964,618 0.083,619 -0.386,620 0.054,621 -0.208,622 -0.087,623 -0.102,624 -0.238,625 0.406,626 0.043,627 0.288,628 0.018,629 0.213,630 -0.083,631 -0.366,632 -0.302,633 -0.361,634 -0.171,635 -0.355,636 0.052,637 0.116,638 0.167,639 0.137,640 0.167,641 0.161,642 0.029,643 -0.183,644 -0.246,645 -0.226,646 -0.342,647 -0.26,648 0.112,649 -0.053,650 0.121,651 -0.021,652 0.204,653 0.043,654 -0.348,655 0.139,656 -0.202,657 0.078,658 -0.267,659 -0.033,660 -0.02,661 -0.309,662 -0.241,663 -0.328,664 0.039,665 -0.309,666 0.744,667 1.702,668 0.4,669 8.533,670 0.981,671 1.133,672 -0.998,673 0.995,674 0.62,675 2.773,676 3.045,677 3.091,678 3.258,679 3.258,680 3.178,681 3.045,682 2.833,683 2.303,684 1.609,685 4.216,686 0.564,687 206.34,688 2.773,689 4.263,690 5.03,691 5.889,692 6.676,693 7.542,694 8.335,695 9.202,696 9.998,697 10.866,698 2.9,712 1,715 4,720 2,722 6,739 1,741 35,743 7,744 1,745 15,747 35,748 13,749 6,750 2,751 4,756 1,757 1,772 8,773 5,777 1,778 1,784 1,790 1,793 20,794 1,796 2,802 1,803 1,807 1,808 1,809 1,829 1,848 1,849 1,859 1,864 3,868 15,876 2,878 1,883 1,893 2.9,898 1,901 8.917,902 7.083,903 3.5,904 1.972,907 1.257,908 1.238,909 0.873,910 4.066,911 6.53,912 2.996,913 3.45,914 3.79,915 4.278,916 4.638,917 4.569,918 4.571,919 4.577,920 4.114,921 3.841,922 0.8,923 18,924 5.508,925 -0.001,926 2.075,927 0.026,929 7.522,931 10.767,933 8.089,934 -0.001,936 2.022,937 30.333,938 0.006,941 235.422,942 103.464,945 11,948 103.464,949 246.422,951 27.676,952 19.978,953 47.381,955 19.429,957 235.422,959 235.422,960 103.464,961 11,964 235.422,965 11,968 4.211,969 89.777,970 9.476,972 235.422,973 11,974 103.464,977 235.422,978 12.64,979 75.057,981 26.767,982 235.422,983 11,984 103.464,986 0.561,987 0.3,988 0.158,989 0.072,990 8,991 4,992 0.143,993 5,995 1,996 2.631,997 86.927,999 6,1000 56.603,1005 11.955,1006 5.102,1007 3.86,1009 11,1010 8.216,1015 2.215,1018 349.886,1019 19,1020 3.781,1026 1.959,1031 34.323,1032 39.652,1034 0.251,1035 0.556,1036 0.776,1037 0.843,1038 0.843,1039 0.843,1040 4.197,1041 -0.533,1042 5.069,1043 -0.259,1044 3.714,1045 4.127,1046 1.702,1047 5.872,1048 3.605,1049 5.395,1050 -0.77,1051 6.635,1052 -0.87,1053 3.611,1054 3.951,1055 0.931,1056 7.195,1057 3.377,1058 6.696,1059 -1,1060 8.318,1061 -1.674,1062 5.398,1063 6.176,1064 1.72,1065 10.034,1066 5.15,1067 8.031,1068 -1,1069 10.072,1070 -2.889,1071 6.043,1072 6.665,1073 1.505,1074 12.077,1075 5.645,1076 9.392,1077 -1.592,1078 11.867,1079 -3,1080 7.412,1081 8.481,1082 1.966,1083 14.58,1084 6.993,1085 10.77,1086 -1.685,1087 13.69,1088 -4.173,1089 8.356,1090 9.28,1091 2.008,1092 16.86,1093 7.797,1094 12.161,1095 -1.913,1096 15.533,1097 -4.77,1098 9.581,1099 10.903,1100 2.345,1101 19.284,1102 8.978,1103 3.217,1104 -2,1105 17.389,1106 -5.454,1107 10.65,1108 11.875,1109 2.509,1110 21.643,1111 9.921,1112 2.623,1113 11.044,1114 19.256,1115 -6.369,1116 11.827,1117 13.388,1118 2.801,1119 24.048,1120 11.034,1121 1.984,1122 7.567,1123 21.131,1124 3.694,1125 12.948,1126 14.469,1127 3.021,1128 26.435,1129 12.042,1130 1.225,1131 5.69,1132 23.013,1133 3.177,1134 14.111,1135 15.912,1136 3.297,1137 28.836,1138 13.128,1139 1.11,1140 2.644,1141 24.9,1142 2.524,1143 15.255,1144 17.064,1145 3.544,1146 31.232,1147 14.168,1148 0.431,1149 1.886,1150 26.79,1151 1.759,1152 16.415,1153 18.461,1154 3.814,1155 33.633,1156 15.244,1157 -0.097,1158 0.626,1159 28.684,1160 1.485,1161 17.57,1162 19.662,1163 4.073,1164 36.032,1165 16.3,1166 1549,1167 2259,1168 9.129,1169 21.694,1170 21.68,1171 21.642,1172 22.417,1173 21.166,1174 21.179,1175 26.241,1176 5.317,1177 58.915,1178 20.049,1179 5.092,1180 5.627,1181 6.458,1182 5.131,1183 5.217,1184 6.694,1185 2.17,1186 17.413,1187 4.947,1188 8.749,1189 1.445,1190 1.443,1191 1.494,1192 1.411,1193 1.412,1194 1.749,1195 0.354,1196 3.928,1197 1.337,1198 3.976,1199 4.024,1200 3.899,1201 3.874,1202 4.868,1203 3.875,1204 3.758,1205 3.815,1206 3.647,1207 3.584,1208 4.718,1209 3.589,1210 3.376,1211 3.451,1212 3.205,1213 3.217,1214 4.399,1215 3.205,1216 3.246,1217 3.314,1218 3.057,1219 2.975,1220 4.221,1221 2.982,1222 2.965,1223 3.047,1224 2.775,1225 2.824,1226 3.656,1227 2.802,1228 2.874,1229 3.009,1230 2.551,1231 2.618,1232 3.467,1233 2.59,1234 2.758,1235 2.834,1236 2.499,1237 2.616,1238 3.466,1239 2.57,1240 2.6,1241 2.73,1242 2.253,1243 2.355,1244 3.174,1245 2.312,1246 0.285,1247 0.242,1248 0.449,1249 0.275,1250 0.214,1251 4.269,1252 0.246,1253 3.627,1254 0.087,1255 6.741,1256 0.736,1257 4.131,1258 0.196,1259 3.217,1260 3.694,1261 1.31,1262 11.044,1263 2.947,1264 1.933,1265 1.9,1266 2.074,1267 2.085,1268 1.319,1269 2.086,1270 1.726,1271 1.661,1272 1.922,1273 1.908,1274 1.038,1275 1.915,1276 1.389,1277 1.315,1278 1.681,1279 1.586,1280 0.667,1281 1.623,1282 1.198,1283 1.125,1284 1.572,1285 1.508,1286 0.58,1287 1.53,1288 1,1289 0.924,1290 1.417,1291 1.239,1292 0.494,1293 1.308,1294 0.934,1295 0.804,1296 1.337,1297 1.204,1298 0.469,1299 1.254,1300 0.788,1301 0.717,1302 1.126,1303 0.979,1304 0.153,1305 1.028,1306 0.653,1307 0.528,1308 1.076,1309 0.949,1310 0.106,1311 1.006,1312 3.434,1314 4.71,1316 6.176,1318 7.724,1320 9.311,1322 6.088,1328 1.959,1330 5.202,1335 0.913,1340 19.741,1341 44.981,1342 99.768,1343 139.26,1344 151.26,1345 151.26,1346 151.26,1347 21.493,1348 5.273,1349 9.23,1350 9.23,1351 6,1352 11.427,1353 3,1354 2.322,1355 31.109,1356 37,1357 37,1358 0.433,1359 128.622,1360 220.75,1361 305.598,1362 881,1364 11.312,1365 0.754,1366 0.661,1367 11.312,1368 9.916,1369 7.071,1370 0.471,1371 0.354,1372 5.212,1373 6.776,1374 4.932,1375 4.265,1376 7.071,1377 5.311,1378 6.425,1379 0.321,1380 0.234,1381 6.425,1382 4.685,1383 4.237,1384 0.202,1385 0.12,1386 4.237,1387 2.514,1388 3.519,1389 0.141,1390 0.072,1391 3.519,1392 1.798,1393 2.152,1394 0.086,1395 0.036,1396 2.152,1397 0.905,1398 0.653,1399 44.394,1400 0.331,1401 15.227,1402 1.244,1403 70,1404 158.068,1405 74.988,1406 154.238,1407 206.73,1408 144,1409 76,1410 146.236,1411 82.155,1412 154.562,1413 214.46,1414 140,1415 5}
{0 CHEMBL595114,1 1.318,2 10.222,3 3.915,4 15.323,5 115.114,6 6.99,7 0.2,8 4.002,9 4.122,10 3.527,11 3.636,12 5.05,13 3.584,14 4.54,15 4.707,16 3.907,17 4.052,18 5.541,19 3.977,20 4.839,21 5.032,22 4.042,23 4.252,24 5.794,25 4.159,26 4.966,27 5.192,28 4.029,29 4.294,30 5.862,31 4.175,32 5.03,33 5.277,34 3.887,35 4.274,36 5.911,37 4.124,38 4.97,39 5.245,40 3.736,41 4.13,42 5.868,43 3.959,44 4.765,45 5.035,46 3.526,47 3.931,48 5.674,49 3.771,50 4.629,51 4.904,52 3.498,53 3.842,54 5.512,55 3.695,56 0.043,57 0.674,58 10.736,59 4.878,60 9.069,61 6.636,62 0.14,63 1.141,64 19.417,65 8.402,66 21.389,67 11.653,68 0.178,69 1.531,70 27.077,71 11.016,72 32.108,73 15.305,74 0.221,75 1.731,76 31.537,77 12.71,78 34.547,79 17.935,80 0.267,81 1.822,82 34.458,83 13.309,84 44.894,85 18.891,86 0.265,87 1.64,88 33.218,89 13.313,90 48.778,91 18.931,92 0.23,93 1.339,94 27.178,95 10.447,96 43.434,97 14.685,98 0.162,99 1.135,100 23.614,101 9.745,102 34.258,103 13.635,104 11,105 43,106 0.22,107 0.59,108 0.776,109 0.866,110 0.875,111 0.875,112 3.341,113 0.946,114 -5.2,115 -5.09,116 -4.76,121 47.1,122 2,123 2,124 1,132 1,137 6,138 3,140 1,144 5,145 1,156 1,160 1,176 18,180 5,183 1,185 3,187 23,192 6,197 2,200 21,206 8,209 1,211 3,214 22,219 3,224 2,227 16,231 1,232 5,237 3,239 16,244 3,249 1,251 15,256 3,261 1,264 19,269 1,274 2,277 21,281 1249,282 18.471,283 18.471,284 18.471,285 18.471,286 18.471,287 16.207,288 19.539,289 10.888,290 18.555,291 14.767,292 14.767,293 14.767,294 14.767,295 14.767,296 11.507,297 25.341,298 5.063,299 14.896,300 4.354,301 2.131,302 1.017,303 0.476,304 0.422,305 0.422,306 4.039,311 1,312 1,313 603,314 3.391,318 263.754,320 78.619,322 101.515,324 120.241,325 1.267,326 17.188,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 56,338 276,339 4.861,340 4.145,341 8.052,342 4.683,343 3.699,344 4.171,345 1.398,346 15.599,347 3.639,348 4.027,349 3.481,350 6.179,351 3.639,352 2.653,353 3.512,354 1.081,355 8.706,356 2.612,357 3.945,358 2.921,359 5.872,360 3.523,361 2.524,362 3.353,363 0.717,364 8.153,365 2.522,366 3.704,367 2.733,368 5.34,369 3.463,370 2.473,371 2.908,372 0.68,373 6.965,374 2.445,375 3.487,376 2.567,377 5.112,378 3.136,379 2.133,380 2.67,381 0.473,382 6,383 2.138,384 3.45,385 2.523,386 4.954,387 3.019,388 2,389 2.584,390 0.212,391 5.658,392 2.026,393 3.16,394 1.927,395 4.332,396 2.631,397 1.642,398 2.312,400 3.633,401 1.624,402 2.852,403 1.506,404 4.119,405 2.358,406 1.379,407 1.899,409 3.321,410 1.348,411 2.673,412 1.481,413 3.714,414 2.21,415 1.228,416 1.561,418 2.911,419 1.204,420 2.5,421 1.316,422 3.536,423 2,424 1,425 1.5,427 2.25,428 1,429 2.393,430 1,431 3.262,432 1.986,433 0.991,434 1.232,436 2.136,437 0.985,438 2.14,439 0.775,440 3.247,441 1.391,442 0.423,443 0.663,445 0.923,446 0.408,447 1.525,448 0.714,449 3.13,450 1.13,451 0.126,452 0.151,454 0.357,455 0.126,456 1.057,457 0.441,458 2.92,459 0.863,460 -0.142,461 -0.152,463 -0.243,464 -0.142,465 0.898,466 0.327,467 2.668,468 0.695,469 -0.317,470 -0.395,472 -0.785,473 -0.318,474 13.133,475 0.486,476 0.638,477 0.024,478 31.75,479 1.176,480 15.5,481 0.574,482 16.25,483 0.602,484 25.614,485 0.949,486 27.667,487 0.542,488 23.397,489 0.867,490 6.323,491 0.234,492 6.797,493 0.252,494 0.102,495 0.038,496 0.266,501 0.679,502 1.076,503 0.841,504 0.967,505 0.616,506 0.922,507 0.587,508 1.102,509 0.858,510 0.997,511 0.555,512 0.956,513 1.054,514 1.124,515 1.024,516 1.033,517 0.916,518 1.023,519 0.833,520 1.114,521 1.006,522 1.053,523 0.665,524 1.041,525 1.112,526 1.059,527 1.165,528 1.067,529 0.909,530 1.102,531 0.768,532 0.995,533 0.94,534 1.005,535 0.811,536 0.99,537 1.291,538 0.883,539 1.053,540 0.934,541 1.248,542 0.964,543 0.896,544 0.742,545 0.781,546 0.796,547 1.006,548 0.786,549 6,550 0.111,551 3.333,552 2.438,553 1.942,554 1.125,555 0.546,556 0.413,557 0.255,558 0.152,559 8422,560 18946,561 2.11,562 47.1,563 7,564 11,566 1,567 1,569 4,572 1.705,573 1.988,574 3.214,575 -0.455,577 1,582 67.215,583 1.318,584 3.541,585 4.655,586 5.197,587 5.251,588 5.251,589 2.597,590 4.459,591 4.721,592 3.425,593 1202.31,594 8.222,595 15012.7,597 1,599 1,600 289.294,601 1.481,602 4.685,603 0.2,604 0.006,605 0.078,606 0.051,607 0.042,608 0.03,609 0.017,610 0.016,611 0.009,612 0.006,613 0.454,614 0.67,615 1,616 0.704,617 131.86,618 -0.007,620 0.048,621 0.036,622 -0.047,623 0.044,624 0.168,625 -0.054,626 0.064,627 -0.006,628 0.085,629 0.014,630 -0.082,631 -0.077,632 -0.072,633 -0.062,634 -0.068,635 -0.066,636 0.018,637 -0.088,638 -0.044,639 -0.085,640 0.021,641 -0.073,642 -0.145,643 -0.036,644 -0.184,645 -0.111,646 -0.111,647 -0.141,648 0.13,649 -0.046,650 0.055,651 -0.025,652 0.088,653 0.004,654 -0.111,655 0.09,656 -0.042,657 0.032,658 -0.068,659 0.009,660 0.049,661 0.176,662 0.217,663 0.205,664 0.084,665 0.223,666 1.709,667 4.863,668 0.704,669 24.604,670 0.985,671 1.113,672 3.967,673 15.736,674 0.683,675 3.434,676 3.784,677 4.111,678 4.466,679 4.745,680 4.883,681 4.984,682 5.118,683 5.1,684 5.112,685 5.961,686 0.638,687 356.5,688 3.434,689 4.99,690 5.866,691 6.783,692 7.688,693 8.62,694 9.537,695 10.479,696 11.404,697 12.352,698 3.9,705 1,707 1,715 5,720 1,722 6,741 51,743 13,744 1,745 30,747 54,748 24,749 6,750 1,751 5,752 8,756 4,757 7,763 2,767 2,768 2,770 2,772 18,773 6,774 2,777 7,782 1,784 7,785 1,786 5,790 1,793 24,794 3,795 1,796 3,802 2,808 0.5,809 1,829 4,831 1,833 1,835 1,839 1,843 1,849 7,850 3,859 2,864 2,868 27,876 2,877 1,880 1,882 1,893 2,896 1,901 13.583,902 9.7,903 5.972,904 3.151,907 3.025,908 1.398,909 0.984,910 4.635,911 10.634,912 3.714,913 4.256,914 4.794,915 5.328,916 5.847,917 6.091,918 6.413,919 6.739,920 7.039,921 7.299,922 0.857,923 48,924 10.002,926 4.285,927 0.026,929 7.577,931 19.528,933 16.55,936 2.077,937 56.083,939 1,940 1,941 270.735,942 156.209,943 34.796,945 25.145,948 156.209,949 295.88,950 34.796,951 17.65,952 23.08,953 104.239,954 53.425,955 29.528,957 258.964,959 270.735,960 191.006,961 25.145,964 223.651,965 72.229,968 57.516,969 64.828,970 68.662,972 270.735,973 59.941,974 156.209,977 270.735,978 25.273,979 130.937,980 18.011,981 41.93,982 270.735,983 59.941,984 156.209,986 0.577,987 0.349,988 0.209,989 0.119,990 22,991 9,992 0.056,993 3,994 3,995 1.263,996 3.796,997 242.882,998 0.316,999 18,1000 124.382,1005 17.638,1006 7.095,1007 3.198,1009 59.941,1010 10.218,1015 1.152,1017 18.011,1018 486.886,1019 40,1024 11.863,1026 14.098,1027 5.081,1028 4.789,1031 50.251,1032 56.773,1034 0.232,1035 0.624,1036 0.821,1037 0.916,1038 0.926,1039 0.926,1040 4.98,1041 1.379,1042 5.883,1043 3.633,1044 4.466,1045 4.942,1046 2.229,1047 6.804,1048 4.447,1049 6.201,1050 1.228,1051 7.507,1052 3.321,1053 4.205,1054 4.649,1055 0.747,1056 8.214,1057 4.176,1058 7.53,1059 1,1060 9.26,1061 2.911,1062 6.18,1063 7.043,1064 2.341,1065 11.396,1066 6.135,1067 8.896,1068 0.991,1069 11.102,1070 2.25,1071 6.804,1072 7.563,1073 1.478,1074 13.752,1075 6.738,1076 10.3,1077 0.423,1078 13.008,1079 2.136,1080 8.294,1081 9.418,1082 2.664,1083 16.594,1084 8.213,1085 11.734,1086 0.126,1087 14.962,1088 0.923,1089 9.324,1090 10.352,1091 2.2,1092 19.238,1093 9.221,1094 13.194,1095 -0.142,1096 16.952,1097 0.357,1098 10.665,1099 11.968,1100 3.105,1101 22.007,1102 10.545,1103 3.699,1104 -0.317,1105 18.967,1106 -0.243,1107 11.865,1108 13.126,1109 2.913,1110 24.727,1111 11.725,1112 2.653,1113 15.599,1114 21.001,1115 -0.785,1116 13.17,1117 14.631,1118 3.624,1119 27.48,1120 13.013,1121 2.524,1122 8.706,1123 23.05,1124 4.171,1125 14.437,1126 15.911,1127 3.616,1128 30.22,1129 14.261,1130 2.473,1131 8.153,1132 25.108,1133 3.512,1134 15.737,1135 17.366,1136 4.196,1137 32.969,1138 15.544,1139 2.133,1140 6.965,1141 27.174,1142 3.353,1143 17.029,1144 18.712,1145 4.309,1146 35.714,1147 16.818,1148 2,1149 6,1150 29.245,1151 2.908,1152 18.331,1153 20.145,1154 4.803,1155 38.461,1156 18.104,1157 1.642,1158 5.658,1159 31.32,1160 2.67,1161 19.632,1162 21.526,1163 4.996,1164 41.208,1165 19.388,1166 8030,1167 12142,1168 20.167,1169 34.841,1170 46.769,1171 45.782,1172 47.272,1173 44.511,1174 44.54,1175 57.031,1176 9.122,1177 133.22,1178 44.154,1179 5.827,1180 6.145,1181 7.854,1182 5.722,1183 5.699,1184 7.171,1185 2.527,1186 24.202,1187 5.639,1188 11.433,1189 1.559,1190 1.526,1191 1.576,1192 1.484,1193 1.485,1194 1.901,1195 0.304,1196 4.441,1197 1.472,1198 4.081,1199 4.111,1200 4.028,1201 4.011,1202 7.43,1203 4.011,1204 3.911,1205 3.94,1206 3.841,1207 3.86,1208 4.851,1209 3.852,1210 3.7,1211 3.735,1212 3.635,1213 3.581,1214 4.731,1215 3.587,1216 3.512,1217 3.566,1218 3.42,1219 3.396,1220 4.492,1221 3.394,1222 3.446,1223 3.512,1224 3.295,1225 3.335,1226 4.364,1227 3.317,1228 3.242,1229 3.312,1230 3.078,1231 3.107,1232 4.181,1233 3.09,1234 3.139,1235 3.197,1236 3.035,1237 2.99,1238 3.971,1239 2.994,1240 2.861,1241 2.936,1242 2.761,1243 2.735,1244 3.839,1245 2.715,1246 0.162,1247 0.138,1248 0.268,1249 0.156,1250 0.123,1251 4.861,1252 0.139,1253 4.145,1254 0.047,1255 8.052,1256 0.52,1257 4.683,1258 0.121,1259 3.699,1260 4.171,1261 1.398,1262 15.599,1263 3.639,1264 2.043,1265 2.016,1266 2.146,1267 2.132,1268 1.471,1269 2.138,1270 1.917,1271 1.89,1272 2.039,1273 1.991,1274 1.103,1275 2.009,1276 1.667,1277 1.634,1278 1.811,1279 1.82,1280 0.949,1281 1.816,1282 1.502,1283 1.454,1284 1.751,1285 1.654,1286 0.842,1287 1.685,1288 1.473,1289 1.413,1290 1.675,1291 1.638,1292 0.799,1293 1.66,1294 1.264,1295 1.197,1296 1.557,1297 1.453,1298 0.662,1299 1.492,1300 1.121,1301 1.064,1302 1.402,1303 1.319,1304 0.558,1305 1.348,1306 0.886,1307 0.821,1308 1.181,1309 1.084,1310 0.296,1311 1.115,1312 4.111,1314 5.451,1316 7.018,1318 8.712,1320 10.48,1322 4.276,1328 1.678,1329 3.053,1332 0.296,1334 -0.42,1340 32.552,1341 67.215,1342 180.611,1343 237.419,1344 265.029,1345 267.784,1346 267.784,1347 42.907,1348 7.609,1349 45.22,1350 45.22,1351 24,1352 12.847,1353 3.807,1354 3.459,1355 40.072,1356 89,1357 118,1358 0.209,1359 199.724,1360 367.81,1361 479.086,1362 19992,1364 18.855,1365 0.698,1366 0.584,1367 18.855,1368 15.775,1369 13.12,1370 0.437,1371 0.315,1372 9.412,1373 12.921,1374 9.081,1375 7.572,1376 13.12,1377 9.458,1378 11.823,1379 0.275,1380 0.171,1381 11.823,1382 7.367,1383 9.999,1384 0.167,1385 0.092,1386 9.999,1387 5.548,1388 9.201,1389 0.107,1390 0.053,1391 9.201,1392 4.541,1393 7.631,1394 0.067,1395 0.029,1396 7.631,1397 3.267,1398 0.32,1399 80.133,1400 0.223,1401 25.589,1402 0.596,1403 146,1404 333.714,1405 152.322,1406 336.104,1407 470.67,1408 316,1409 176,1410 352.355,1411 181.991,1412 364.018,1413 535.29,1414 344,1415 7.62}
{0 CHEMBL595115,1 1.36,2 10.179,3 3.717,4 13.812,5 119.982,6 6.792,7 0.194,8 4.078,9 4.208,10 3.577,11 3.663,12 5.1,13 3.613,14 4.637,15 4.83,16 3.974,17 4.09,18 5.596,19 4.024,20 4.905,21 5.09,22 4.129,23 4.324,24 5.871,25 4.235,26 5.099,27 5.336,28 4.105,29 4.389,30 5.977,31 4.262,32 5.146,33 5.405,34 3.96,35 4.365,36 5.981,37 4.207,38 5.052,39 5.322,40 3.893,41 4.256,42 5.924,43 4.097,44 4.891,45 5.137,46 3.771,47 4.131,48 5.829,49 3.985,50 4.848,51 5.127,52 3.578,53 3.981,54 5.721,55 3.813,56 0.05,57 0.781,58 12.231,59 5.226,60 10.098,61 7.296,62 0.196,63 1.31,64 22.552,65 8.762,66 23.138,67 12.578,68 0.188,69 1.693,70 29.419,71 11.678,72 32.529,73 16.553,74 0.264,75 1.97,76 36.748,77 14.236,78 40.691,79 20.583,80 0.306,81 1.991,82 39.139,83 14.843,84 48.001,85 21.553,86 0.295,87 1.741,88 35.692,89 14.47,90 46.349,91 20.672,92 0.218,93 1.516,94 30.142,95 11.902,96 43.004,97 16.89,98 0.231,99 1.414,100 29.465,101 11.037,102 42.809,103 15.996,104 30,105 46,106 0.224,107 0.599,108 0.782,109 0.836,110 0.836,111 0.836,112 3.376,113 0.95,114 -5,115 -4.9,116 -4.59,121 43.6,122 2,123 2,124 1,126 2,132 1,137 4,138 3,140 1,144 4,145 1,146 1,157 1,160 1,176 14,180 7,183 1,185 3,187 18,192 9,197 2,200 16,206 10,209 1,211 3,214 19,219 1,224 2,227 18,231 2,232 3,237 3,239 23,244 2,249 2,251 18,256 6,261 2,264 10,269 6,281 1322,282 18.712,283 18.712,284 18.712,285 18.712,286 18.712,287 16.707,288 26.055,289 10.632,290 18.897,291 15.202,292 15.202,293 15.202,294 15.202,295 15.202,296 12.207,297 35.127,298 4.897,299 15.484,300 4.421,301 2.146,302 1.037,303 0.709,304 0.709,305 0.709,306 4.069,311 1,312 1,313 616,314 3.606,318 269.518,320 82.617,322 106.583,324 126.221,325 1.276,326 18.192,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 58.5,338 285,339 4.862,340 4.145,341 8.052,342 4.683,343 3.699,344 4.174,345 1.398,346 15.6,347 3.639,348 4.12,349 3.481,350 6.179,351 3.747,352 2.784,353 3.703,354 1.081,355 8.706,356 2.689,357 4.025,358 2.987,359 5.93,360 3.639,361 2.653,362 3.352,363 0.8,364 8.235,365 2.611,366 3.737,367 2.922,368 5.873,369 3.474,370 2.488,371 2.999,372 0.717,373 8.151,374 2.451,375 3.621,376 2.737,377 5.297,378 3.306,379 2.33,380 2.859,381 0.68,382 6.773,383 2.267,384 3.485,385 2.568,386 5.112,387 3.136,388 2.133,389 2.67,390 0.473,391 6,392 2.138,393 3.413,394 2.474,395 4.953,396 3.016,397 1.997,398 2.497,399 0.212,400 5.656,401 2.024,402 2.76,403 1.656,404 4.323,405 2.294,406 1.336,407 1.686,409 3.54,410 1.278,411 2.589,412 1.482,413 4.09,414 2.217,415 1.248,416 1.511,418 3.03,419 1.205,420 2.5,421 1.391,422 3.79,423 2.029,424 1.045,425 1.5,427 2.537,428 1.027,429 2.393,430 1.112,431 3.456,432 2,433 1,434 1.29,436 2.275,437 1,438 2.175,439 1,440 3.414,441 1.568,442 0.613,443 0.874,445 1.378,446 0.584,447 1.525,448 0.761,449 3.239,450 1.131,451 0.127,452 0.152,454 0.358,455 0.127,456 1.06,457 0.441,458 2.946,459 0.864,460 -0.14,461 -0.149,463 -0.239,464 -0.14,465 0.967,466 0.343,467 2.668,468 0.704,469 -0.3,470 -0.377,472 -0.756,473 -0.297,474 13.533,475 0.483,476 0.833,477 0.03,478 32,479 1.143,480 14.5,481 0.518,482 17.5,483 0.625,484 28.445,485 1.016,486 29.667,487 0.539,488 24.776,489 0.885,490 6.299,491 0.225,492 7.126,493 0.254,494 0.172,495 0.037,496 0.325,501 0.742,502 1.266,503 0.87,504 1.069,505 0.641,506 0.992,507 0.813,508 0.975,509 0.816,510 0.842,511 0.535,512 0.823,513 1.036,514 1.219,515 1.066,516 1.123,517 0.917,518 1.098,519 0.817,520 1.108,521 1.013,522 1.07,523 0.679,524 1.057,525 0.984,526 0.983,527 1.1,528 1.031,529 0.898,530 1.063,531 0.601,532 0.882,533 0.859,534 0.96,535 0.745,536 0.941,537 1.051,538 1.041,539 1.063,540 1.084,541 1.153,542 1.08,543 1.025,544 0.961,545 0.991,546 0.986,547 1.07,548 0.985,549 7.5,550 0.207,551 4.222,552 2.625,553 2.213,554 1.472,555 0.673,556 0.477,557 0.299,558 0.274,559 8779,560 19152,561 2.064,562 49.1,563 7,564 14,566 1,567 1,569 4,572 1.715,573 1.898,574 3.219,575 -0.429,577 1,582 74.799,583 1.36,584 3.636,585 4.745,586 5.072,587 5.072,588 5.072,589 2.605,590 4.209,591 4.774,592 3.432,593 1297.17,594 8.332,595 16356.4,597 1,600 317.975,601 1.656,602 4.716,603 0.242,604 0.011,605 0.092,606 0.05,607 0.045,608 0.036,609 0.017,610 0.014,611 0.011,612 0.013,613 0.532,614 0.5,615 1,616 0.887,617 137.771,618 0.009,619 -0.105,620 0.059,621 -0.011,622 -0.057,623 0.021,624 0.089,625 0.136,626 0.147,627 0.164,628 0.109,629 0.163,630 -0.093,631 -0.127,632 -0.108,633 -0.109,634 -0.061,635 -0.11,636 -0.001,637 -0.08,638 -0.048,639 -0.081,640 0.006,641 -0.071,642 -0.118,643 0.014,644 -0.127,645 -0.054,646 -0.114,647 -0.082,648 0.169,649 0.047,650 0.107,651 0.043,652 0.115,653 0.065,654 -0.069,655 -0.071,656 -0.089,657 -0.086,658 -0.04,659 -0.088,660 -0.035,661 -0.017,662 -0.002,663 -0.016,664 -0.026,665 -0.006,666 1.708,667 4.919,668 0.679,669 24.189,670 0.986,671 1.122,672 3.769,673 14.205,674 0.666,675 3.466,676 3.85,677 4.174,678 4.511,679 4.812,680 4.997,681 5.106,682 5.231,683 5.298,684 5.366,685 5.944,686 0.62,687 373.54,688 3.466,689 5.043,690 5.927,691 6.851,692 7.761,693 8.696,694 9.617,695 10.559,696 11.487,697 12.434,698 5.5,704 1,705 1,707 1,715 4,720 2,722 6,725 1,736 1,741 55,743 12,744 1,745 31,747 58,748 24,749 6,750 2,751 4,752 6,756 4,757 7,763 2,767 2,768 2,770 2,772 16,773 8,774 2,777 6,782 1,784 5,785 1,786 5,790 1,793 27,794 4,795 1,796 4,802 3,808 0.5,809 1,829 4,831 1,833 1,835 1,843 1,849 5,850 3,859 2,864 4,868 28,876 2,877 1,880 1,881 1,882 1,893 1.8,896 1,901 14.75,902 11.15,903 6.083,904 3.324,907 2.586,908 1.333,909 0.974,910 4.784,911 10.345,912 3.714,913 4.284,914 4.83,915 5.365,916 5.904,917 6.221,918 6.553,919 6.856,920 7.222,921 7.556,922 0.857,923 52,924 10.38,926 4.437,927 0.026,929 7.563,931 20.303,933 17.193,936 2.063,937 57.75,939 1,940 1,941 306.049,942 147.33,943 37.921,945 25.145,948 147.33,949 331.194,950 37.921,951 34.443,952 23.08,953 75.81,954 53.425,955 35.409,957 294.278,959 306.049,960 185.251,961 25.145,964 258.964,965 72.229,968 57.516,969 78.026,970 49.709,972 306.049,973 63.066,974 147.33,977 306.049,978 28.03,979 122.425,980 18.011,981 41.93,982 306.049,983 63.066,984 147.33,986 0.593,987 0.356,988 0.201,989 0.115,990 24,991 11,992 0.052,993 3,994 3,995 1.263,996 3.765,997 260.372,998 0.316,999 18,1000 128.606,1005 18.801,1006 7.124,1007 3.271,1009 63.066,1010 8.419,1015 2.247,1017 18.011,1018 516.444,1019 40,1024 11.919,1026 10.137,1027 5.184,1028 4.795,1031 54.236,1032 61.687,1034 0.235,1035 0.629,1036 0.821,1037 0.877,1038 0.877,1039 0.877,1040 5.007,1041 1.336,1042 5.969,1043 5.656,1044 4.533,1045 4.97,1046 2.327,1047 6.899,1048 4.498,1049 6.243,1050 1.248,1051 7.607,1052 3.54,1053 4.369,1054 4.82,1055 0.914,1056 8.295,1057 4.316,1058 7.585,1059 1.045,1060 9.365,1061 3.03,1062 6.271,1063 7.099,1064 2.385,1065 11.455,1066 6.202,1067 8.962,1068 1,1069 11.202,1070 2.537,1071 6.929,1072 7.719,1073 1.545,1074 13.782,1075 6.837,1076 10.374,1077 0.613,1078 13.098,1079 2.275,1080 8.381,1081 9.502,1082 2.682,1083 16.615,1084 8.276,1085 11.811,1086 0.127,1087 15.039,1088 1.378,1089 9.41,1090 10.493,1091 2.223,1092 19.248,1093 9.284,1094 13.272,1095 -0.14,1096 17.014,1097 0.358,1098 10.731,1099 12.068,1100 3.113,1101 22.014,1102 10.591,1103 3.699,1104 -0.3,1105 19.017,1106 -0.239,1107 11.922,1108 13.254,1109 2.92,1110 24.731,1111 11.764,1112 2.784,1113 15.6,1114 21.04,1115 -0.756,1116 13.214,1117 14.736,1118 3.627,1119 27.482,1120 13.043,1121 2.653,1122 8.706,1123 23.08,1124 4.174,1125 14.472,1126 16.027,1127 3.618,1128 30.221,1129 14.285,1130 2.488,1131 8.235,1132 25.131,1133 3.703,1134 15.765,1135 17.468,1136 4.197,1137 32.97,1138 15.563,1139 2.33,1140 8.151,1141 27.191,1142 3.352,1143 17.051,1144 18.817,1145 4.31,1146 35.715,1147 16.833,1148 2.133,1149 6.773,1150 29.258,1151 2.999,1152 18.349,1153 20.241,1154 4.803,1155 38.462,1156 18.116,1157 1.997,1158 6,1159 31.33,1160 2.859,1161 19.647,1162 21.621,1163 4.996,1164 41.209,1165 19.397,1166 8509,1167 12676,1168 20.285,1169 36.608,1170 48.862,1171 48.252,1172 50.254,1173 46.902,1174 46.909,1175 58.535,1176 10.722,1177 144.477,1178 46.076,1179 5.828,1180 6.145,1181 7.547,1182 5.723,1183 5.699,1184 7.174,1185 2.527,1186 24.202,1187 5.639,1188 15.472,1189 1.576,1190 1.557,1191 1.621,1192 1.513,1193 1.513,1194 1.888,1195 0.346,1196 4.661,1197 1.486,1198 4.086,1199 4.117,1200 4.034,1201 4.016,1202 7.43,1203 4.016,1204 3.919,1205 3.954,1206 3.858,1207 3.849,1208 4.864,1209 3.847,1210 3.7,1211 3.735,1212 3.633,1213 3.581,1214 4.678,1215 3.587,1216 3.487,1217 3.571,1218 3.365,1219 3.34,1220 4.394,1221 3.325,1222 3.447,1223 3.514,1224 3.295,1225 3.272,1226 4.356,1227 3.28,1228 3.26,1229 3.332,1230 3.118,1231 3.114,1232 4.181,1233 3.099,1234 3.22,1235 3.29,1236 3.074,1237 3.039,1238 4.109,1239 3.042,1240 2.934,1241 3.009,1242 2.825,1243 2.778,1244 3.839,1245 2.774,1246 0.157,1247 0.134,1248 0.26,1249 0.151,1250 0.119,1251 4.862,1252 0.135,1253 4.145,1254 0.045,1255 8.052,1256 0.503,1257 4.683,1258 0.117,1259 3.699,1260 4.174,1261 1.398,1262 15.6,1263 3.639,1264 2.045,1265 2.019,1266 2.148,1267 2.135,1268 1.472,1269 2.14,1270 1.909,1271 1.879,1272 2.021,1273 2.009,1274 1.124,1275 2.016,1276 1.666,1277 1.633,1278 1.811,1279 1.819,1280 0.949,1281 1.816,1282 1.477,1283 1.417,1284 1.751,1285 1.694,1286 0.842,1287 1.711,1288 1.446,1289 1.362,1290 1.729,1291 1.642,1292 0.806,1293 1.683,1294 1.271,1295 1.203,1296 1.558,1297 1.457,1298 0.777,1299 1.495,1300 1.196,1301 1.129,1302 1.446,1303 1.42,1304 0.572,1305 1.431,1306 0.934,1307 0.859,1308 1.417,1309 1.239,1310 0.469,1311 1.308,1312 4.143,1314 5.509,1316 7.093,1318 8.791,1320 10.557,1322 8.366,1328 1.672,1329 3.067,1332 0.289,1333 2.088,1334 -0.434,1340 34.101,1341 74.799,1342 199.959,1343 260.955,1344 278.955,1345 278.955,1346 278.955,1347 46.196,1348 7.759,1349 48.46,1350 48.46,1351 24,1352 12.929,1353 3.7,1354 3.322,1355 42.249,1356 93,1357 120,1358 0.214,1359 209.446,1360 381.45,1361 502.807,1362 23189,1364 19.889,1365 0.71,1366 0.607,1367 19.889,1368 16.99,1369 13.425,1370 0.433,1371 0.317,1372 9.736,1373 13.113,1374 9.298,1375 7.793,1376 13.425,1377 9.82,1378 12.637,1379 0.275,1380 0.175,1381 12.637,1382 8.064,1383 10.622,1384 0.166,1385 0.093,1386 10.622,1387 5.922,1388 9.455,1389 0.105,1390 0.052,1391 9.455,1392 4.696,1393 7.851,1394 0.064,1395 0.028,1396 7.851,1397 3.393,1398 0.327,1399 82.705,1400 0.222,1401 26.153,1402 0.618,1403 154,1404 353.359,1405 162.07,1406 353.866,1407 495.16,1408 332,1409 187,1410 372.467,1411 195.322,1412 386.807,1413 567.76,1414 362,1415 7.509}
{0 CHEMBL596236,1 1.397,2 10.074,3 3.433,4 11.787,5 111.291,6 7.406,7 0.2,8 3.952,9 4.067,10 3.525,11 3.595,12 5.074,13 3.555,14 4.491,15 4.652,16 3.92,17 4.023,18 5.532,19 3.962,20 4.798,21 4.978,22 4.079,23 4.237,24 5.839,25 4.159,26 4.948,27 5.17,28 4.053,29 4.27,30 5.927,31 4.165,32 4.992,33 5.236,34 3.916,35 4.252,36 5.909,37 4.12,38 4.933,39 5.186,40 3.859,41 4.182,42 5.881,43 4.039,44 4.833,45 5.08,46 3.731,47 4.077,48 5.819,49 3.935,50 4.739,51 5.003,52 3.522,53 3.932,54 5.656,55 3.765,56 0.029,57 0.65,58 9.232,59 4.362,60 9.96,61 5.763,62 0.117,63 1.098,64 17.263,65 7.697,66 17.687,67 10.45,68 0.147,69 1.495,70 24.377,71 10.183,72 32.937,73 13.764,74 0.225,75 1.735,76 30.122,77 11.868,78 47.322,79 16.51,80 0.289,81 1.778,82 32.705,83 12.4,84 54.005,85 17.292,86 0.227,87 1.588,88 31.262,89 13.041,90 46.475,91 18.26,92 0.244,93 1.453,94 28.286,95 11.386,96 50.171,97 15.697,98 0.167,99 1.284,100 26.25,101 10.862,102 40.239,103 15.158,104 21,105 44,106 0.235,107 0.642,108 0.8,109 0.863,110 0.863,111 0.863,112 3.341,113 0.918,114 -4.71,115 -4.63,116 -4.35,121 47.9,122 2,123 2,124 1,132 1,137 4,138 3,140 1,144 4,145 2,157 1,160 2,176 16,180 6,183 1,185 3,187 20,192 9,197 2,200 17,206 11,209 1,211 3,214 19,219 3,224 2,227 18,231 1,232 3,237 3,239 23,243 1,244 2,249 2,251 21,256 3,261 2,264 14,269 5,274 1,277 5,281 1205,282 18.375,283 18.375,284 18.375,285 18.375,286 18.375,287 16.253,288 22.863,289 10.495,290 18.46,291 14.661,292 14.661,293 14.661,294 14.661,295 14.661,296 11.444,297 27.685,298 4.778,299 14.801,300 4.188,301 1.762,302 0.823,303 0.448,304 0.448,305 0.448,306 4.037,311 1,312 1,313 591,314 3.317,318 253.785,320 77.394,322 100.059,324 118.55,325 1.199,326 22.367,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 56.5,338 272,339 4.862,340 4.145,341 8.052,342 4.683,343 3.699,344 4.174,345 2.035,346 15.6,347 3.639,348 4.113,349 4.057,350 6.179,351 3.654,352 2.665,353 3.711,354 1.398,355 8.706,356 2.641,357 4.025,358 3.481,359 5.874,360 3.63,361 2.638,362 3.353,363 1.081,364 8.162,365 2.61,366 3.75,367 2.927,368 5.479,369 3.461,370 2.471,371 2.999,372 0.717,373 7.326,374 2.444,375 3.643,376 2.742,377 5.113,378 3.164,379 2.171,380 2.858,381 0.68,382 6.262,383 2.156,384 3.485,385 2.633,386 5.108,387 3.135,388 2.133,389 2.67,390 0.473,391 6,392 2.137,393 3.42,394 2.565,395 4.953,396 3.015,397 1.997,398 2.496,399 0.212,400 5.655,401 2.023,402 2.998,403 2.238,404 4.322,405 2.261,406 1.284,407 1.661,409 3.531,410 1.251,411 2.728,412 1.543,413 4.083,414 2.053,415 1.072,416 1.5,418 2.615,419 1.05,420 2.5,421 1.48,422 3.483,423 2,424 1,425 1.4,427 2.275,428 1,429 2.492,430 1.182,431 3.414,432 1.719,433 0.754,434 1.137,436 1.568,437 0.725,438 2.212,439 1,440 3.243,441 1.367,442 0.424,443 0.759,445 0.679,446 0.398,447 1.526,448 0.762,449 2.961,450 1.13,451 0.126,452 0.152,454 0.357,455 0.126,456 1.094,457 0.441,458 2.82,459 0.862,460 -0.143,461 -0.153,463 -0.243,464 -0.143,465 1.039,466 0.363,467 2.668,468 0.686,469 -0.322,470 -0.422,472 -0.742,473 -0.321,474 13.033,475 0.483,476 0.706,477 0.026,478 33.5,479 1.241,480 17,481 0.63,482 16.5,483 0.611,484 25.245,485 0.935,486 27.167,487 0.566,488 24.878,489 0.921,490 6.436,491 0.238,492 6.616,493 0.245,494 0.133,495 0.038,496 0.307,501 0.642,502 1.051,503 0.78,504 0.939,505 0.507,506 0.882,507 0.535,508 1.03,509 0.779,510 0.944,511 0.443,512 0.896,513 0.96,514 1.163,515 1.005,516 1.073,517 0.722,518 1.048,519 0.866,520 1.108,521 1.021,522 1.057,523 0.685,524 1.049,525 1.091,526 0.936,527 1.148,528 0.996,529 0.798,530 1.054,531 0.615,532 0.947,533 0.9,534 1.023,535 0.564,536 1.001,537 0.982,538 0.879,539 1.043,540 1.005,541 0.84,542 1.03,543 0.776,544 0.956,545 0.979,546 1.065,547 0.74,548 1.053,549 7,550 0.107,551 3.778,552 2.375,553 2.173,554 1.354,555 0.633,556 0.477,557 0.274,558 0.234,559 7894,560 20633,561 2.088,562 43.8,563 7,564 8,566 1,567 1,569 4,572 1.707,573 1.94,574 3.185,575 -0.419,577 1,582 67.043,583 1.397,584 3.823,585 4.762,586 5.137,587 5.137,588 5.137,589 2.573,590 4.357,591 4.72,592 3.367,593 1181.8,594 8.233,595 14407.8,597 1,599 1,600 268.078,601 1.596,602 4.673,603 0.233,604 0.008,605 0.086,606 0.047,607 0.046,608 0.034,609 0.017,610 0.014,611 0.011,612 0.013,613 0.509,614 0.33,615 1,616 0.862,617 130.714,618 -0.018,620 0.042,621 0.037,622 0.008,623 0.044,624 0.149,625 -0.013,626 0.099,627 0.039,628 0.074,629 0.058,630 -0.08,631 -0.14,632 -0.093,633 -0.108,634 -0.028,635 -0.104,636 -0.018,637 -0.091,638 -0.064,639 -0.095,640 -0.001,641 -0.087,642 -0.17,643 0.069,644 -0.165,645 -0.031,646 -0.103,647 -0.082,648 0.139,649 -0.038,650 0.087,651 -0.006,652 0.092,653 0.028,654 -0.033,655 0.057,656 -0.048,657 -0.006,659 -0.024,660 0.031,661 -0.068,662 0.026,663 -0.042,664 0.01,665 -0.015,666 1.734,667 4.87,668 0.704,669 22.422,670 0.991,671 1.113,672 3.484,673 12.137,674 0.694,675 3.434,676 3.807,677 4.143,678 4.489,679 4.796,680 4.97,681 5.081,682 5.22,683 5.268,684 5.318,685 5.684,686 0.657,687 355.47,688 3.434,689 5.004,690 5.889,691 6.812,692 7.724,693 8.66,694 9.583,695 10.526,696 11.456,697 12.405,698 6.3,705 1,707 2,715 4,720 2,722 6,724 1,725 1,741 48,743 13,744 1,745 30,747 51,748 23,749 6,750 2,751 4,752 6,756 4,757 7,763 2,767 2,768 2,770 2,771 1,772 16,773 6,774 2,777 6,782 1,784 5,785 1,786 5,790 1,793 21,794 4,795 1,796 4,802 3,808 0.5,809 1,829 4,831 1,833 1,835 1,843 1,849 5,850 3,859 2,864 2,868 27,876 2,877 1,880 1,882 1,885 1,889 1,891 1,893 2.1,896 1,901 13.917,902 9.4,903 5.972,904 2.986,907 2.755,908 1.359,909 0.981,910 4.264,911 10.439,912 3.738,913 4.284,914 4.854,915 5.386,916 5.922,917 6.254,918 6.593,919 6.87,920 7.251,921 7.604,922 0.857,923 50,924 9.978,926 4.327,927 0.026,929 7.731,931 19.222,933 16.394,936 2.231,937 60.25,940 1,941 235.422,942 147.568,943 65.856,945 25.145,948 147.568,949 260.567,950 65.856,951 17.65,952 23.08,953 75.81,954 70.027,955 63.773,957 223.651,959 235.422,960 213.424,961 25.145,964 188.338,965 72.229,968 88.575,969 75.139,970 49.709,972 235.422,973 91.001,974 147.568,977 235.422,978 28.458,979 102.508,980 34.612,981 72.99,982 235.422,983 91.001,984 147.568,986 0.585,987 0.358,988 0.206,989 0.12,990 23,991 10,992 0.039,993 2,994 3,995 1.263,996 3.704,997 248.465,998 0.316,999 18,1000 124.382,1005 17.403,1006 6.615,1007 2.91,1009 91.001,1010 7.425,1015 1.593,1017 18.011,1018 473.99,1019 41,1024 11.87,1026 9.902,1027 5.095,1028 4.613,1031 47.585,1032 53.441,1034 0.25,1035 0.684,1036 0.853,1037 0.92,1038 0.92,1039 0.92,1040 5.027,1041 1.284,1042 5.922,1043 5.655,1044 4.489,1045 4.97,1046 2.866,1047 6.851,1048 4.468,1049 6.268,1050 1.072,1051 7.556,1052 3.531,1053 4.29,1054 4.771,1055 0.747,1056 8.257,1057 4.264,1058 7.609,1059 1,1060 9.312,1061 2.615,1062 6.225,1063 7.109,1064 3.799,1065 11.423,1066 6.178,1067 8.983,1068 0.754,1069 11.15,1070 2.275,1071 6.868,1072 7.702,1073 1.478,1074 13.764,1075 6.805,1076 10.391,1077 0.424,1078 13.049,1079 1.568,1080 8.335,1081 9.511,1082 5.052,1083 16.602,1084 8.255,1085 11.826,1086 0.126,1087 14.995,1088 0.679,1089 9.364,1090 10.489,1091 2.2,1092 19.241,1093 9.263,1094 13.283,1095 -0.143,1096 16.976,1097 0.357,1098 10.694,1099 12.075,1100 6.413,1101 22.01,1102 10.575,1103 3.699,1104 -0.322,1105 18.985,1106 -0.243,1107 11.89,1108 13.255,1109 2.913,1110 24.728,1111 11.75,1112 2.665,1113 15.6,1114 21.014,1115 -0.742,1116 13.188,1117 14.741,1118 7.812,1119 27.481,1120 13.032,1121 2.638,1122 8.706,1123 23.059,1124 4.174,1125 14.451,1126 16.031,1127 3.616,1128 30.221,1129 14.276,1130 2.471,1131 8.162,1132 25.115,1133 3.711,1134 15.749,1135 17.473,1136 9.224,1137 32.969,1138 15.556,1139 2.171,1140 7.326,1141 27.179,1142 3.353,1143 17.038,1144 18.821,1145 4.309,1146 35.715,1147 16.828,1148 2.133,1149 6.262,1150 29.248,1151 2.999,1152 18.339,1153 20.245,1154 10.641,1155 38.462,1156 18.112,1157 1.997,1158 6,1159 31.323,1160 2.858,1161 19.639,1162 21.625,1163 4.996,1164 41.209,1165 19.394,1166 7630,1167 12425,1168 19.879,1169 33.324,1170 47.973,1171 48.781,1172 48.26,1173 44.806,1174 44.867,1175 57.739,1176 13.191,1177 137.473,1178 44.399,1179 5.828,1180 6.145,1181 7.606,1182 5.723,1183 5.699,1184 7.174,1185 4.069,1186 24.202,1187 5.639,1188 13.417,1189 1.599,1190 1.626,1191 1.609,1192 1.494,1193 1.496,1194 1.925,1195 0.44,1196 4.582,1197 1.48,1198 4.085,1199 4.115,1200 4.033,1201 4.016,1202 7.43,1203 4.016,1204 3.911,1205 3.938,1206 3.858,1207 3.859,1208 6.82,1209 3.855,1210 3.699,1211 3.734,1212 3.633,1213 3.581,1214 4.846,1215 3.587,1216 3.45,1217 3.515,1218 3.331,1219 3.339,1220 4.649,1221 3.323,1222 3.364,1223 3.421,1224 3.283,1225 3.216,1226 4.371,1227 3.231,1228 3.239,1229 3.309,1230 3.079,1231 3.1,1232 4.309,1233 3.085,1234 3.112,1235 3.167,1236 3.045,1237 2.953,1238 4.177,1239 2.966,1240 2.858,1241 2.938,1242 2.776,1243 2.735,1244 3.839,1245 2.715,1246 0.162,1247 0.138,1248 0.268,1249 0.156,1250 0.123,1251 4.862,1252 0.139,1253 4.145,1254 0.068,1255 8.052,1256 0.52,1257 4.683,1258 0.121,1259 3.699,1260 4.174,1261 2.035,1262 15.6,1263 3.639,1264 2.045,1265 2.019,1266 2.147,1267 2.134,1268 1.472,1269 2.14,1270 1.91,1271 1.886,1272 2.009,1273 1.983,1274 1.087,1275 1.993,1276 1.666,1277 1.633,1278 1.811,1279 1.819,1280 0.949,1281 1.816,1282 1.476,1283 1.417,1284 1.751,1285 1.643,1286 0.841,1287 1.684,1288 1.317,1289 1.266,1290 1.559,1291 1.497,1292 0.793,1293 1.502,1294 1.252,1295 1.188,1296 1.468,1297 1.449,1298 0.574,1299 1.476,1300 1.067,1301 1.016,1302 1.301,1303 1.264,1304 0.331,1305 1.274,1306 0.886,1307 0.821,1308 1.181,1309 1.08,1310 0.289,1311 1.107,1312 4.111,1314 5.468,1316 7.05,1318 8.751,1320 10.521,1322 4.224,1328 1.603,1329 3.032,1332 0.257,1334 -0.482,1338 8.979,1339 2.139,1340 31.52,1341 67.043,1342 183.495,1343 228.568,1344 246.568,1345 246.568,1346 246.568,1347 46.641,1348 7.684,1349 69.01,1350 69.01,1351 24,1352 12.898,1353 3.807,1354 3.585,1355 39.963,1356 85,1357 126,1358 0.221,1359 193.998,1360 358.87,1361 465.116,1362 20978,1364 19.018,1365 0.704,1366 0.574,1367 19.018,1368 15.49,1369 13.052,1370 0.435,1371 0.306,1372 9.122,1373 12.813,1374 8.799,1375 7.317,1376 13.052,1377 9.176,1378 11.907,1379 0.271,1380 0.166,1381 11.907,1382 7.312,1383 10.331,1384 0.167,1385 0.09,1386 10.331,1387 5.552,1388 9.24,1389 0.105,1390 0.051,1391 9.24,1392 4.481,1393 7.763,1394 0.065,1395 0.027,1396 7.763,1397 3.292,1398 0.335,1399 80.078,1400 0.224,1401 25.291,1402 0.646,1403 148,1404 367.359,1405 155.016,1406 371.053,1407 511.46,1408 346,1409 180,1410 377.763,1411 186.823,1412 391.129,1413 572.62,1414 368,1415 7.658}
{0 CHEMBL59628,1 1.365,2 8.609,3 5.593,4 31.284,5 96.649,6 7.687,7 0.654,8 3.828,9 3.944,10 3.441,11 3.491,12 4.825,13 3.436,14 4.372,15 4.535,16 3.814,17 3.907,18 5.32,19 3.822,20 4.665,21 4.884,22 3.882,23 4.03,24 5.543,25 3.915,26 4.644,27 4.879,28 3.787,29 3.941,30 5.523,31 3.82,32 4.586,33 4.82,34 3.697,35 3.927,36 5.399,37 3.796,38 4.601,39 4.836,40 3.718,41 3.956,42 5.405,43 3.802,44 4.596,45 4.84,46 3.665,47 3.93,48 5.41,49 3.756,50 4.473,51 4.714,52 3.423,53 3.761,54 5.338,55 3.567,56 0.033,57 0.555,58 8.205,59 3.794,60 5.273,61 5.22,62 0.073,63 0.95,64 15.823,65 6.817,66 11.898,67 9.422,68 0.149,69 1.255,70 25.384,71 9.484,72 21.201,73 13.112,74 0.254,75 1.27,76 24.834,77 8.661,78 26.303,79 12.088,80 0.171,81 1.181,82 22.194,83 8.412,84 18.14,85 11.745,86 0.169,87 1.132,88 23.56,89 9.376,90 18.157,91 13.092,92 0.135,93 1.073,94 26.713,95 10.08,96 19.938,97 13.834,98 0.168,99 0.933,100 26.581,101 8.856,102 25.134,103 11.947,104 2,105 36,106 0.238,107 0.577,108 0.729,109 0.837,110 0.865,111 0.865,112 3.19,113 0.99,114 -5.4,115 -5.28,116 -4.93,121 47.6,123 4,127 1,144 8,145 3,146 2,148 2,176 12,180 4,185 3,187 16,192 3,197 4,200 9,206 3,209 1,211 6,214 9,224 2,227 12,232 1,237 1,239 18,244 2,251 18,256 2,264 14,269 1,277 8,281 756,282 15.999,283 15.999,284 15.999,285 15.999,286 15.999,287 13.936,288 15.19,289 9.626,290 16.239,291 12.886,292 12.886,293 12.886,294 12.886,295 12.886,296 9.748,297 16.397,298 4.621,299 13.334,300 4.027,301 2.077,302 1.208,303 0.589,304 0.429,305 0.429,306 3.895,308 1,311 1,312 1,313 439,314 2.345,318 192.11,322 148.295,325 1.138,326 11.397,329 0.75,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.86,337 47.333,338 198,339 4.652,340 3.376,341 6.833,342 4.214,343 3.236,344 4.582,345 0.657,346 11.365,347 3.165,348 3.992,349 2.944,350 6.004,351 3.581,352 2.611,353 3.537,355 8.477,356 2.532,357 3.895,358 2.76,359 5.448,360 3.514,361 2.522,362 3.442,364 7.078,365 2.504,366 3.576,367 2.533,368 5.315,369 3.165,370 2.224,371 2.958,373 6.759,374 2.077,375 3.362,376 2.234,377 4.898,378 2.874,379 1.971,380 2.698,382 5.569,383 1.703,384 2.929,385 1.677,386 4.12,387 2.514,388 1.525,389 2.099,391 3.415,392 1.507,393 2.656,394 1.484,395 3.905,396 2.426,397 1.433,398 1.708,400 3.277,401 1.415,402 2.5,403 1.433,404 3.632,405 2.249,406 1.257,407 1.5,409 3.063,410 1.246,411 2.49,412 1.217,413 3.549,414 2.005,415 1.042,416 1.489,418 2.549,419 1,420 2.163,421 1,422 3.247,423 2,424 1,425 1.139,427 2.136,428 0.995,429 1.73,430 0.687,431 3.068,432 1.436,433 0.48,434 0.581,436 1.14,437 0.452,438 1.237,439 0.272,440 2.838,441 0.863,442 -0.091,443 -0.114,445 -0.248,446 -0.083,447 1.111,448 0.067,449 2.543,450 0.689,451 -0.209,452 -0.263,454 -0.51,455 -0.16,456 0.75,457 -0.411,458 2.345,459 0.382,460 -0.584,461 -0.71,463 -1.43,464 -0.535,465 0.581,466 -0.495,467 2.148,468 0.189,469 -0.749,470 -0.903,472 -1.821,473 -0.67,474 11.514,475 0.501,476 0.448,477 0.019,478 30.75,479 1.337,480 16.5,481 0.717,482 14.25,483 0.62,484 18.452,485 0.802,486 23.286,487 0.554,488 18.933,489 0.823,490 5.7,491 0.248,492 5.609,493 0.244,494 0.062,496 0.304,501 0.714,502 1.063,503 0.64,504 0.856,505 0.663,506 0.848,507 0.776,508 1.167,509 0.729,510 0.966,511 0.653,512 0.964,513 0.993,514 1.167,515 0.887,516 0.995,517 0.92,518 0.965,519 1.115,520 1.081,521 0.879,522 0.965,523 0.949,524 0.988,525 1.099,526 0.944,527 0.81,528 0.878,529 0.924,530 0.957,531 0.647,532 0.924,533 0.797,534 0.963,535 0.725,536 1.002,537 0.824,538 0.932,539 1.058,540 1.03,541 0.967,542 1.011,543 1.362,544 0.988,545 1.53,546 1.223,547 1.562,548 1.174,549 3.5,550 0.025,551 2.222,552 1.313,553 1.302,554 0.611,555 0.527,556 0.172,557 0.143,558 0.085,559 5592,560 13080,561 2.196,562 45.2,563 6,564 10,567 1,568 2,572 1.663,573 2.123,574 3.082,575 -0.412,582 57.328,583 1.365,584 3.316,585 4.184,586 4.803,587 4.964,588 4.964,589 2.436,590 4.056,591 4.494,592 3.2,593 809.656,594 7.768,595 9011.35,600 226.477,601 1.121,602 4.483,603 0.135,604 0.006,605 0.062,606 0.035,607 0.041,608 0.02,609 0.018,610 0.006,611 0.007,612 0.008,613 0.338,614 0.67,615 1,616 0.393,617 105.648,618 -0.015,619 0.001,620 0.027,621 0.037,622 0.011,623 0.048,624 0.001,625 -0.129,626 0.009,627 -0.053,628 0.086,629 -0.044,630 -0.003,631 -0.151,632 0.002,633 -0.052,634 0.014,635 -0.016,636 0.046,637 -0.002,638 -0.034,639 -0.057,640 0.01,641 -0.068,642 -0.154,643 0.108,644 -0.037,645 0.04,646 -0.132,647 -0.021,648 0.083,649 0.038,650 0.041,651 0.007,652 0.041,653 -0.02,654 0.013,655 -0.035,656 0.006,657 -0.004,658 0.006,659 0.009,660 -0.171,661 -0.084,662 -0.237,663 -0.181,664 -0.245,665 -0.16,666 0.922,667 2.056,668 0.87,669 17.255,670 0.988,671 1.111,672 4.169,673 17.384,674 0.708,675 3.296,676 3.611,677 3.912,678 4.22,679 4.522,680 4.605,681 4.762,682 4.905,683 5.004,684 4.92,685 5.193,686 0.657,687 322.86,688 3.296,689 4.828,690 5.687,691 6.569,692 7.449,693 8.343,694 9.233,695 10.133,696 11.029,697 11.933,698 4.8,703 1,708 1,714 2,715 8,716 1,720 5,722 17,734 1,740 1,741 42,743 17,744 2,745 26,747 45,748 20,749 15,750 4,751 8,756 4,757 7,758 1,767 4,770 4,772 15,773 5,793 19,794 2,795 1,796 3,797 1,802 2,808 0.5,822 1,829 4,833 2,859 2,865 1,868 23,876 5,877 1,892 1,901 10.833,902 7.51,903 5.028,904 2.754,907 3.339,908 1.451,909 1.042,910 4.027,911 10.749,912 3.57,913 4.205,914 4.834,915 5.463,916 6.088,917 6.395,918 6.794,919 7.202,920 7.563,921 7.617,922 0.833,923 37,924 8.504,926 3.626,927 0.026,929 7.447,931 16.865,933 14.366,936 1.947,937 44.778,938 0.001,941 211.88,942 108.156,943 34.796,944 39.149,948 108.156,949 251.028,950 34.796,952 12.244,953 75.81,954 34.796,955 20.102,957 211.88,958 39.149,959 211.88,960 142.952,962 39.149,964 211.88,968 17.145,969 91.011,970 73.945,972 211.88,973 34.796,974 147.305,977 211.88,978 32.346,979 75.81,980 18.011,981 55.934,982 211.88,983 34.796,984 147.305,986 0.575,987 0.336,988 0.192,989 0.113,990 19,991 7,992 0.067,993 3,994 2,995 1.2,996 3.567,997 192.903,998 0.2,999 20,1000 100.042,1005 14.681,1006 6.308,1007 2.97,1008 2.166,1009 34.796,1010 16.531,1011 4.868,1015 5.902,1017 18.011,1018 393.981,1019 34.5,1031 41.48,1032 46.677,1034 0.253,1035 0.615,1036 0.776,1037 0.891,1038 0.921,1039 0.921,1040 4.79,1041 1.257,1042 5.652,1043 3.277,1044 4.29,1045 4.89,1046 0.623,1047 6.463,1048 4.226,1049 5.992,1050 1.042,1051 7.2,1052 3.063,1053 3.761,1054 4.691,1056 7.357,1057 3.627,1058 7.301,1059 1,1060 8.852,1061 2.549,1062 5.866,1063 7.153,1064 0.317,1065 10.507,1066 5.754,1067 8.65,1068 0.48,1069 10.57,1070 2.136,1071 6.196,1072 7.819,1074 12.29,1075 6.037,1076 10.035,1077 -0.091,1078 12.333,1079 1.14,1080 7.74,1081 9.735,1082 0.149,1083 14.957,1084 7.59,1085 11.445,1086 -0.209,1087 14.127,1088 -0.248,1089 8.497,1090 10.825,1092 17.112,1093 8.314,1094 12.877,1095 -0.584,1096 15.944,1097 -0.51,1098 9.804,1099 12.509,1100 0.067,1101 19.622,1102 9.616,1103 3.236,1104 -0.749,1105 17.78,1106 -1.43,1107 10.775,1108 13.818,1110 21.935,1111 10.561,1112 2.611,1113 11.365,1114 19.63,1115 -1.821,1116 11.985,1117 15.403,1118 0.03,1119 24.391,1120 11.76,1121 2.522,1122 8.477,1123 21.491,1124 4.582,1125 13.06,1126 16.821,1128 26.771,1129 12.81,1130 2.224,1131 7.078,1132 23.361,1133 3.537,1134 14.237,1135 18.365,1136 0.013,1137 29.209,1138 13.97,1139 1.971,1140 6.759,1141 25.24,1142 3.442,1143 15.362,1144 19.837,1146 31.617,1147 15.072,1148 1.525,1149 5.569,1150 27.125,1151 2.958,1152 16.529,1153 21.365,1154 0.006,1155 34.049,1156 16.219,1157 1.433,1158 3.415,1159 29.016,1160 2.698,1161 17.677,1162 22.862,1164 36.469,1165 17.345,1166 5247,1167 8143,1168 18.087,1169 29.722,1170 38.695,1171 39.173,1172 39.256,1173 38.802,1174 38.6,1175 51.462,1176 1.315,1177 109.657,1178 37.193,1179 5.598,1180 5.376,1181 6.635,1182 5.256,1183 5.236,1184 7.582,1185 1.315,1186 18.903,1187 5.165,1188 6.029,1189 1.488,1190 1.507,1191 1.51,1192 1.492,1193 1.485,1194 1.979,1195 0.051,1196 4.218,1197 1.43,1198 4.117,1199 4.145,1200 4.127,1201 4.048,1202 5.038,1203 4.052,1204 3.898,1205 3.931,1206 3.836,1207 3.841,1208 4.76,1209 3.833,1210 3.736,1211 3.78,1212 3.763,1213 3.66,1214 4.675,1215 3.645,1216 3.381,1217 3.45,1218 3.412,1219 3.236,1220 4.189,1221 3.231,1222 3.175,1223 3.24,1224 3.15,1225 3.025,1226 4.13,1227 3.021,1228 3.081,1229 3.157,1230 2.967,1231 2.942,1232 3.921,1233 2.927,1234 2.894,1235 2.959,1236 2.85,1237 2.767,1238 3.674,1239 2.745,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.616,1245 2.715,1246 0.179,1247 0.13,1248 0.263,1249 0.162,1250 0.124,1251 4.652,1252 0.176,1253 3.376,1254 0.025,1255 6.833,1256 0.437,1257 4.214,1258 0.122,1259 3.236,1260 4.582,1261 0.657,1262 11.365,1263 3.165,1264 2.071,1265 2.048,1266 2.149,1267 2.159,1268 1.434,1269 2.159,1270 1.903,1271 1.873,1272 2.034,1273 1.987,1274 1.173,1275 2.005,1276 1.75,1277 1.709,1278 1.925,1279 1.863,1280 1.12,1281 1.891,1282 1.351,1283 1.292,1284 1.561,1285 1.556,1286 0.763,1287 1.566,1288 1.154,1289 1.093,1290 1.446,1291 1.347,1292 0.69,1293 1.379,1294 1.109,1295 1.035,1296 1.347,1297 1.292,1298 0.562,1299 1.325,1300 0.906,1301 0.845,1302 1.181,1303 1.072,1304 0.221,1305 1.107,1306 0.886,1307 0.821,1308 1.144,1309 1.062,1310 0.218,1311 1.104,1312 3.97,1314 5.283,1316 6.815,1318 8.45,1320 10.143,1323 6.167,1328 5.475,1329 3.668,1340 27.612,1341 57.328,1342 139.258,1343 175.722,1344 201.722,1345 208.477,1346 208.477,1347 26.613,1348 7.41,1349 24.92,1350 24.92,1351 24,1352 12.454,1353 4.17,1354 3.248,1355 31.638,1356 68,1357 78,1358 0.221,1359 171.546,1360 288.51,1361 410.332,1362 16387,1363 2.4,1364 15.648,1365 0.68,1366 0.597,1367 16.148,1368 13.735,1369 11.31,1370 0.435,1371 0.33,1372 8.194,1373 10.875,1374 7.978,1375 6.586,1376 11.598,1377 8.577,1378 10.031,1379 0.279,1380 0.182,1381 10.44,1382 6.556,1383 8.61,1384 0.176,1385 0.097,1386 8.872,1387 4.772,1388 7.488,1389 0.112,1390 0.053,1391 7.723,1392 3.553,1393 6.493,1394 0.071,1395 0.03,1396 6.724,1397 2.703,1398 0.335,1399 71.896,1400 0.235,1401 22.19,1402 0.644,1403 124,1404 278.181,1405 143.294,1406 311.858,1407 432.75,1408 294,1409 147,1410 306.37,1411 161.255,1412 325.094,1413 478.39,1414 309,1415 6.77}
{0 CHEMBL596457,1 1.665,2 9.533,3 2.55,4 6.503,5 117.526,6 8.202,7 0.182,8 4.064,9 4.146,10 3.86,11 3.649,12 5.16,13 3.625,14 4.619,15 4.743,16 4.15,17 4.054,18 6.111,19 4.022,20 4.869,21 5.033,22 4.223,23 4.272,24 5.942,25 4.208,26 5.019,27 5.211,28 4.294,29 4.351,30 6.075,31 4.262,32 5.121,33 5.332,34 4.223,35 4.364,36 6.214,37 4.259,38 5.102,39 5.33,40 4.122,41 4.274,42 6.25,43 4.165,44 4.951,45 5.169,46 4.066,47 4.19,48 5.97,49 4.079,50 4.924,51 5.127,52 4.156,53 4.145,54 6.033,55 4.034,56 0.154,57 0.729,58 12.973,59 5.409,60 27.098,61 5.809,62 0.764,63 1.186,64 19.564,65 8.678,66 115.126,67 10.664,68 0.363,69 1.565,70 25.097,71 11.186,72 53.96,73 13.828,74 0.468,75 1.818,76 32.556,77 13.422,78 62.461,79 16.916,80 0.597,81 1.963,82 39.618,83 14.531,84 87.929,85 18.357,86 0.773,87 1.786,88 39.198,89 14.72,90 116.776,91 19.142,92 0.528,93 1.57,94 32.865,95 12.868,96 80.314,97 16.153,98 0.484,99 1.509,100 34.794,101 13.482,102 66.965,103 15.973,104 42,105 50,106 0.276,107 0.668,108 0.817,109 0.887,110 0.894,111 0.894,112 3.442,113 0.996,114 -4.54,115 -4.47,116 -4.21,121 42.3,122 2,123 2,124 1,132 1,137 4,138 3,140 1,144 4,145 1,146 1,157 1,160 1,170 3,174 1,176 14,179 3,180 7,183 4,185 3,187 18,192 8,197 2,200 16,201 2,205 1,206 14,209 1,211 5,214 19,215 2,219 6,220 1,224 4,227 15,228 1,231 3,232 8,235 1,237 4,239 19,244 6,249 1,251 16,252 3,256 14,259 1,261 5,264 14,265 4,269 9,274 5,275 1,277 5,278 5,281 1500,282 19.659,283 19.659,284 19.659,285 19.659,286 19.659,287 17.225,288 24.216,289 11.177,290 19.781,291 16.243,292 16.243,293 16.243,294 16.243,295 16.243,296 12.606,297 30.601,298 5.201,299 16.458,300 4.035,301 1.665,302 0.76,303 0.337,304 0.298,305 0.298,306 4.132,311 1,312 1,313 611,314 4.123,318 285.532,320 85.635,322 110.655,324 131.195,325 1.231,326 40.737,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 66,338 286,339 4.863,340 5.035,341 8.052,342 4.684,343 3.7,344 4.448,345 3.302,346 15.6,347 3.639,348 4.653,349 4.145,350 6.51,351 4.148,352 3.163,353 4.176,354 1.398,355 10.356,356 3.115,357 4.161,358 3.481,359 6.179,360 3.716,361 2.73,362 3.79,363 1.081,364 8.71,365 2.687,366 4.024,367 3.016,368 6.019,369 3.636,370 2.65,371 3.351,372 0.717,373 8.677,374 2.611,375 3.695,376 2.906,377 5.868,378 3.457,379 2.467,380 2.898,381 0.68,382 8.143,383 2.439,384 3.486,385 2.729,386 5.112,387 3.136,388 2.133,389 2.67,390 0.473,391 6,392 2.138,393 3.438,394 2.566,395 4.954,396 3.018,397 1.999,398 2.547,399 0.212,400 5.658,401 2.025,402 3.014,403 2.191,404 4.426,405 2.552,406 1.578,407 2.157,409 4.28,410 1.536,411 2.878,412 1.753,413 4.299,414 2.409,415 1.431,416 2.026,418 3.507,419 1.392,420 2.71,421 1.482,422 4.059,423 2.247,424 1.268,425 1.617,427 3.059,428 1.239,429 2.465,430 1.398,431 3.636,432 2.032,433 1.046,434 1.323,436 2.529,437 1.03,438 2.205,439 1.383,440 3.446,441 1.6,442 0.638,443 0.916,445 1.416,446 0.612,447 1.528,448 1.066,449 3.239,450 1.132,451 0.128,452 0.154,454 0.359,455 0.128,456 1.34,457 0.761,458 3.087,459 0.981,460 0.038,461 0.045,463 0.095,464 0.035,465 1.053,466 0.441,467 2.944,468 0.853,469 -0.152,470 -0.166,472 -0.273,473 -0.152,474 14.3,475 0.477,476 1.043,477 0.035,478 36.5,479 1.217,480 17.5,481 0.583,482 19,483 0.633,484 29.314,485 0.977,486 32.5,487 0.625,488 30.989,489 1.033,490 7.014,491 0.234,492 7.202,493 0.24,494 0.163,495 0.093,496 0.28,501 0.588,502 1.212,503 0.753,504 1.248,505 0.735,506 0.924,507 0.292,508 1.013,509 0.661,510 0.872,511 0.275,512 0.897,513 0.744,514 1.122,515 0.792,516 0.923,517 0.604,518 1.016,519 0.62,520 1.127,521 0.849,522 0.995,523 0.47,524 1.05,525 0.791,526 1.065,527 1.023,528 1.051,529 0.718,530 1.101,531 0.72,532 0.889,533 0.785,534 0.867,535 0.794,536 0.974,537 0.819,538 0.89,539 0.828,540 0.873,541 0.705,542 0.974,543 0.847,544 1.059,545 0.959,546 1.11,547 0.73,548 1.032,549 9,550 0.161,551 4.222,552 3,553 2.573,554 1.59,555 0.834,556 0.693,557 0.476,558 0.488,559 10029,560 32452,561 2.032,562 42.3,563 7,564 8,566 1,567 2,569 4,572 1.737,573 1.856,574 3.178,575 0.243,577 1,582 86.598,583 1.665,584 4.035,585 4.941,586 5.364,587 5.402,588 5.402,589 2.542,590 4.148,591 4.88,592 3.369,593 1465.69,594 8.558,595 19512.6,597 1,599 1,600 296.423,601 1.746,602 4.801,603 0.273,604 0.007,605 0.084,606 0.056,607 0.047,608 0.032,609 0.018,610 0.016,611 0.011,612 0.015,613 0.56,614 0.17,615 1,616 1.052,617 150.15,618 0.076,619 -0.069,620 0.229,621 -0.11,622 -0.164,623 0.042,624 0.557,625 0.034,626 0.096,627 0.05,628 0.479,629 0.038,630 -0.083,631 -0.076,632 -0.054,633 -0.024,634 -0.046,635 -0.059,636 0.012,637 -0.085,638 -0.007,639 -0.059,640 0.042,641 -0.066,642 -0.083,643 -0.037,644 -0.124,645 -0.111,646 -0.029,647 -0.115,648 0.073,649 0.041,650 0.058,651 0.027,652 0.025,653 0.037,654 -0.055,655 0.065,656 0.047,657 0.058,658 -0.054,659 0.037,660 0.027,661 -0.108,662 0.108,663 -0.055,664 0.018,665 -0.002,666 5.577,667 4.917,668 0.633,669 24.267,670 1.014,671 1.118,672 3.314,673 10.981,674 0.684,675 3.526,676 3.932,677 4.205,678 4.575,679 4.868,680 5.03,681 5.165,682 5.333,683 5.357,684 5.425,685 5.907,686 0.655,687 426.53,688 3.526,689 5.118,690 5.989,691 6.927,692 7.826,693 8.77,694 9.684,695 10.631,696 11.553,697 12.503,698 3.8,705 1,707 1,715 4,720 2,722 6,725 1,741 52,743 14,744 1,745 33,747 55,748 22,749 6,750 2,751 4,752 6,756 4,757 7,763 2,767 2,768 2,770 2,772 16,773 6,774 2,777 8,780 1,782 3,784 5,785 1,786 5,790 1,793 22,794 7,795 2,796 8,797 1,802 2,808 0.5,809 5,829 4,831 1,833 1,835 1,843 1,849 5,850 3,857 1,859 2,862 1,864 2,868 30,874 1,875 1,876 2,877 1,878 1,880 1,882 1,893 9.6,894 1,896 3,898 1,901 16.167,902 9.817,903 6.375,904 3.039,907 2.938,908 1.372,909 0.966,910 5.207,911 10.834,912 3.807,913 4.425,914 4.858,915 5.433,916 5.964,917 6.267,918 6.618,919 6.99,920 7.272,921 7.597,922 1,923 54,924 11.644,926 5.509,927 0.026,929 8.039,931 20.925,933 17.838,936 2.539,937 76.167,940 1,941 235.422,942 136.067,943 34.796,945 117.099,947 3.043,948 133.024,949 352.521,950 34.796,951 17.65,952 23.08,953 117.949,954 97.738,955 43.317,957 223.651,959 235.422,960 167.82,961 117.099,962 3.043,964 188.338,965 125.088,966 39.096,968 57.516,969 60.595,970 52.752,972 235.422,973 151.896,974 136.067,976 3.043,977 235.422,978 30.516,979 102.508,980 18.011,981 133.885,982 235.422,983 151.896,984 136.067,986 0.597,987 0.335,988 0.2,989 0.118,990 26,991 12,992 0.073,993 4,994 3,995 1.263,996 3.837,997 288.953,998 0.316,999 18,1000 145.207,1004 1,1005 20.641,1006 7.568,1007 3.908,1009 151.896,1010 6.45,1015 0.402,1017 57.107,1018 523.385,1019 44,1022 -4.661,1024 34.328,1026 9.184,1027 4.957,1028 3.978,1031 52.753,1032 58.116,1034 0.292,1035 0.708,1036 0.867,1037 0.941,1038 0.948,1039 0.948,1040 5.109,1041 1.578,1042 6.061,1043 5.658,1044 4.615,1045 5.112,1046 3.437,1047 7.008,1048 4.587,1049 6.381,1050 1.431,1051 7.71,1052 4.28,1053 4.575,1054 5.247,1055 0.747,1056 8.47,1057 4.542,1058 7.76,1059 1.268,1060 9.478,1061 3.507,1062 6.405,1063 7.377,1064 5.514,1065 11.575,1066 6.346,1067 9.173,1068 1.046,1069 11.323,1070 3.059,1071 7.132,1072 8.262,1073 1.478,1074 13.889,1075 7.062,1076 10.618,1077 0.638,1078 13.221,1079 2.529,1080 8.552,1081 9.958,1082 7.866,1083 16.692,1084 8.46,1085 12.085,1086 0.128,1087 15.158,1088 1.416,1089 9.602,1090 11.162,1091 2.2,1092 19.302,1093 9.495,1094 13.571,1095 0.038,1096 17.126,1097 0.359,1098 10.904,1099 12.707,1100 10.25,1101 22.052,1102 10.778,1103 3.7,1104 -0.152,1105 19.119,1106 0.095,1107 12.091,1108 14.052,1109 2.913,1110 24.756,1111 11.948,1112 3.163,1113 15.6,1114 21.131,1115 -0.273,1116 13.367,1117 15.543,1118 12.639,1119 27.5,1120 13.206,1121 2.73,1122 10.356,1123 23.158,1124 4.448,1125 14.612,1126 16.952,1127 3.616,1128 30.233,1129 14.435,1130 2.65,1131 8.71,1132 25.198,1133 4.176,1134 15.89,1135 18.425,1136 15.028,1137 32.978,1138 15.695,1139 2.467,1140 8.677,1141 27.248,1142 3.79,1143 17.162,1144 19.864,1145 4.309,1146 35.72,1147 16.95,1148 2.133,1149 8.143,1150 29.306,1151 3.351,1152 18.447,1153 21.332,1154 17.417,1155 38.466,1156 18.219,1157 1.999,1158 6,1159 31.37,1160 2.898,1161 19.732,1162 22.787,1163 4.996,1164 41.211,1165 19.487,1166 9787,1167 17857,1168 21.266,1169 35.546,1170 51.582,1171 53.741,1172 52.926,1173 49.851,1174 49.936,1175 64.239,1176 15.726,1177 156.775,1178 49.254,1179 5.828,1180 7.035,1181 7.737,1182 5.723,1183 5.7,1184 7.448,1185 6.604,1186 24.203,1187 5.639,1188 17.497,1189 1.563,1190 1.629,1191 1.604,1192 1.511,1193 1.513,1194 1.947,1195 0.477,1196 4.751,1197 1.493,1198 4.09,1199 4.117,1200 4.696,1201 4.017,1202 7.769,1203 4.016,1204 3.957,1205 3.942,1206 4.029,1207 3.874,1208 7.43,1209 3.851,1210 3.758,1211 3.735,1212 3.813,1213 3.677,1214 6.999,1215 3.587,1216 3.699,1217 3.676,1218 3.632,1219 3.581,1220 6.313,1221 3.551,1222 3.45,1223 3.515,1224 3.306,1225 3.339,1226 4.881,1227 3.322,1228 3.309,1229 3.374,1230 3.21,1231 3.153,1232 4.696,1233 3.157,1234 3.234,1235 3.303,1236 3.076,1237 3.085,1238 4.379,1239 3.075,1240 2.977,1241 3.036,1242 2.877,1243 2.842,1244 4.338,1245 2.839,1246 0.147,1247 0.153,1248 0.244,1249 0.142,1250 0.112,1251 4.863,1252 0.135,1253 5.035,1254 0.1,1255 8.052,1256 0.473,1257 4.684,1258 0.11,1259 3.7,1260 4.448,1261 3.302,1262 15.6,1263 3.639,1264 2.045,1265 2.019,1266 2.147,1267 2.135,1268 1.472,1269 2.14,1270 1.892,1271 1.879,1272 1.99,1273 1.986,1274 1.081,1275 1.994,1276 1.666,1277 1.633,1278 1.811,1279 1.819,1280 0.949,1281 1.816,1282 1.476,1283 1.546,1284 1.751,1285 1.666,1286 0.841,1287 1.699,1288 1.431,1289 1.416,1290 1.559,1291 1.642,1292 0.793,1293 1.684,1294 1.288,1295 1.225,1296 1.466,1297 1.473,1298 0.574,1299 1.498,1300 1.233,1301 1.171,1302 1.285,1303 1.444,1304 0.348,1305 1.462,1306 0.973,1307 0.916,1308 1.134,1309 1.183,1310 0.292,1311 1.223,1312 4.205,1314 5.587,1316 7.172,1318 8.868,1320 10.629,1322 4.045,1327 9.079,1328 1.336,1329 2.958,1330 4.697,1332 0.121,1334 -0.707,1340 34.072,1341 86.598,1342 209.84,1343 256.913,1344 278.913,1345 280.913,1346 280.913,1347 65.583,1348 7.896,1349 108.82,1350 117.2,1351 24,1352 12.998,1353 3.907,1354 3.585,1355 46.639,1356 102,1357 102,1358 0.219,1359 210.583,1360 389.52,1361 505.581,1362 28118,1364 21.518,1365 0.717,1366 0.581,1367 21.768,1368 17.44,1369 14.215,1370 0.431,1371 0.332,1372 9.599,1373 13.028,1374 9.2,1375 7.633,1376 15.142,1377 10.96,1378 14.182,1379 0.284,1380 0.173,1381 15.564,1382 8.649,1383 10.691,1384 0.162,1385 0.091,1386 11.128,1387 6.007,1388 10.012,1389 0.104,1390 0.052,1391 10.54,1392 4.987,1393 8.424,1394 0.065,1395 0.028,1396 8.922,1397 3.62,1398 0.332,1399 98.234,1400 0.217,1401 27.457,1402 0.641,1403 166,1404 517.93,1405 214.685,1406 518.97,1407 697.28,1408 474,1409 199,1410 484.011,1411 255.296,1412 530.66,1413 776.86,1414 495,1415 7.387}
{0 CHEMBL597001,1 1.298,2 17.444,3 6.346,4 40.274,5 151.871,6 6.523,7 0.462,8 4.353,9 4.48,10 3.811,11 3.924,12 5.336,13 3.865,14 4.914,15 5.114,16 4.119,17 4.305,18 5.812,19 4.223,20 5.153,21 5.371,22 4.169,23 4.452,24 6.034,25 4.333,26 5.278,27 5.538,28 4.079,29 4.457,30 6.103,31 4.301,32 5.236,33 5.498,34 4.035,35 4.422,36 6.055,37 4.262,38 5.229,39 5.505,40 3.985,41 4.371,42 6.063,43 4.205,44 5.062,45 5.324,46 3.916,47 4.269,48 5.88,49 4.126,50 4.891,51 5.104,52 3.887,53 4.223,54 5.783,55 4.087,56 0.07,57 0.987,58 17.021,59 7.403,60 10.449,61 10.235,62 0.244,63 1.648,64 30.924,65 11.795,66 24.172,67 16.759,68 0.287,69 1.995,70 39.34,71 15.564,72 35.05,73 21.856,74 0.408,75 2.155,76 45.033,77 17.56,78 50.94,79 24.874,80 0.298,81 2.059,82 42.901,83 17.261,84 45.599,85 24.36,86 0.425,87 1.989,88 42.891,89 17.1,90 61.051,91 24.122,92 0.312,93 1.719,94 36.268,95 14.317,96 39.641,97 20.089,98 0.164,99 1.536,100 29.794,101 12.648,102 29.095,103 17.685,104 26,105 52,106 0.201,107 0.491,108 0.714,109 0.799,110 0.823,111 0.827,112 3.615,113 1.008,114 -6.15,115 -5.99,116 -5.57,121 43.2,122 2,123 2,126 1,127 6,137 1,138 1,144 12,145 5,146 1,159 1,176 20,180 10,187 24,192 10,200 18,205 1,206 9,214 17,219 5,227 16,231 1,232 8,239 20,244 5,251 19,256 6,264 18,268 1,269 5,277 13,281 2904,282 24.687,283 24.687,284 24.687,285 24.687,286 24.687,287 22.252,288 31.543,289 14.833,290 25.086,291 19.16,292 19.16,293 19.16,294 19.16,295 19.16,296 15.439,297 43.489,298 6.968,299 19.693,300 4.911,301 3.037,302 1.599,303 1.051,304 0.895,305 0.868,306 4.312,312 1,313 1334,314 4.359,317 95.243,318 393.039,321 177.11,325 3.136,326 21.624,329 0.75,330 0.5,331 0.83,332 1,333 0.5,334 0.83,335 0.5,336 0.7,337 75,338 628,339 4.527,340 3.703,341 6.694,342 4.199,343 3.188,344 4.132,345 0.995,346 10.795,347 3.223,348 4.088,349 3.042,350 5.694,351 3.712,352 2.732,353 3.694,354 0.86,355 7.854,356 2.686,357 3.931,358 2.934,359 5.58,360 3.574,361 2.591,362 3.455,363 0.8,364 7.593,365 2.548,366 3.849,367 2.779,368 5.41,369 3.447,370 2.482,371 3.285,372 0.68,373 7.128,374 2.405,375 3.578,376 2.721,377 5.274,378 3.361,379 2.434,380 2.877,381 0.359,382 6.686,383 2.247,384 3.444,385 2.554,386 5.257,387 3.241,388 2.266,389 2.471,391 6.636,392 2.201,393 3.271,394 2.437,395 5.069,396 2.913,397 1.954,398 2.436,400 5.83,401 1.865,402 3.106,403 2.144,404 4.75,405 2.786,406 1.801,407 2.242,409 5.01,410 1.762,411 3.017,412 1.933,413 4.606,414 2.672,415 1.666,416 2.155,418 4.849,419 1.671,420 2.775,421 1.639,422 3.621,423 2.392,424 1.428,425 1.853,427 3.006,428 1.374,429 2.535,430 1.491,431 3.575,432 2.375,433 1.386,434 1.509,436 2.991,437 1.363,438 2.5,439 1.378,440 3.554,441 2,442 1,443 1.5,445 2.275,446 1,447 2.5,448 1,449 3.414,450 2,451 1,452 1.5,454 2.179,455 1,456 2.417,457 1,458 3.247,459 1.913,460 0.887,461 1.274,463 2.136,464 0.903,465 1.637,466 0.875,467 3.048,468 1.591,469 0.618,470 0.618,472 1.099,473 0.6,474 17.467,475 0.485,476 0.708,477 0.02,478 43.25,479 1.201,480 21.5,481 0.597,482 21.75,483 0.604,484 33.921,485 0.942,486 38.933,487 0.526,488 33.708,489 0.936,490 8.619,491 0.239,492 8.931,493 0.248,494 0.105,496 0.275,501 0.766,502 1.305,503 0.918,504 1.145,505 0.636,506 1.059,507 1.262,508 0.965,509 1.006,510 0.911,511 0.693,512 0.918,513 1.194,514 1.111,515 1.086,516 1.097,517 0.886,518 1.081,519 1.115,520 0.976,521 1.014,522 0.985,523 1.181,524 0.991,525 0.964,526 1.007,527 0.973,528 1.029,529 0.971,530 1.007,531 0.921,532 0.889,533 0.876,534 0.905,535 0.872,536 0.894,537 1.256,538 0.815,539 0.921,540 0.82,541 1.032,542 0.843,543 0.812,544 1.218,545 1.088,546 1.216,547 1.084,548 1.184,549 7,550 0.269,551 2.889,552 2.514,553 1.427,554 0.994,555 0.773,556 0.333,557 0.391,558 0.24,559 23458,560 47129,561 2.073,562 51.4,563 2,564 28,569 6,570 2,572 1.768,573 1.964,574 4.047,575 -0.882,582 96.078,583 1.298,584 3.173,585 4.611,586 5.158,587 5.314,588 5.341,589 3.52,590 4.837,591 5.132,592 4.268,593 2689.03,594 8.99,595 47520.7,600 459.5,601 1.3,602 5.112,603 0.179,604 0.008,605 0.056,606 0.048,607 0.031,608 0.023,609 0.018,610 0.008,611 0.01,612 0.007,613 0.389,614 0.33,615 0.63,616 1.446,617 203.639,618 0.044,619 -0.141,620 0.062,621 -0.05,622 -0.016,623 -0.003,624 -0.11,625 0.16,626 0.007,627 0.091,628 0.012,629 0.07,630 -0.069,631 -0.064,632 -0.085,633 -0.09,634 0.023,635 -0.087,636 -0.003,637 0.006,638 -0.018,639 -0.005,640 -0.017,641 -0.012,642 0.002,643 -0.039,644 0.009,645 -0.037,646 0.004,647 -0.016,648 0.133,649 0.045,650 0.111,651 0.077,652 0.141,653 0.09,654 -0.088,655 0.15,656 0.078,657 0.167,658 -0.034,659 0.14,660 -0.017,661 -0.191,662 -0.12,663 -0.178,664 -0.082,665 -0.162,666 1.537,667 5.979,668 0.583,669 60.389,670 0.983,671 1.12,672 4.918,673 24.189,674 0.657,675 3.689,676 3.97,677 4.205,678 4.431,679 4.615,680 4.663,681 4.836,682 4.97,683 5.024,684 5.153,685 9.996,686 0.607,687 482.72,688 3.689,689 5.209,690 6.038,691 6.893,692 7.738,693 8.601,694 9.456,695 10.327,696 11.19,697 12.066,698 2.7,701 2,715 12,720 6,722 18,727 1,739 1,741 74,743 20,744 3,745 39,747 77,748 32,749 18,750 6,751 12,752 3,756 4,757 5,763 2,767 1,770 2,772 21,773 11,777 2,782 1,784 1,786 2,793 38,794 4,796 4,802 2,808 0.75,809 2,828 1,829 3,832 1,849 1,850 1,855 2,859 3,864 3,868 36,876 8,878 1,881 2,893 2.7,896 1,898 1,901 18.333,902 14.067,903 8.167,904 4.832,907 3.861,908 1.47,909 0.971,910 9.243,911 12.072,912 3.932,913 4.46,914 4.985,915 5.503,916 6.023,917 6.205,918 6.594,919 6.976,920 7.284,921 7.674,922 0.917,923 52,924 13.369,926 5.493,927 0.026,929 7.495,931 26.369,933 21.421,936 1.995,937 71.833,941 447.302,942 198.918,943 6.249,945 36.145,948 198.918,949 483.447,950 6.249,951 26.047,952 20.19,953 123.191,954 30.278,955 41.605,957 447.302,959 447.302,960 205.167,961 36.145,964 353.133,965 130.314,968 44.089,969 151.602,970 9.476,972 447.302,973 42.393,974 198.918,977 447.302,978 49.68,979 155.487,981 36.145,982 447.302,983 42.393,984 198.918,986 0.567,987 0.329,988 0.172,989 0.087,990 22,991 10,992 0.156,993 12,994 1,995 1.095,996 4.895,997 316.864,998 0.095,999 21,1000 174.117,1005 26.036,1006 12.781,1007 7.245,1009 42.393,1010 24.947,1015 6.357,1018 688.614,1019 50,1024 12.979,1026 2.032,1028 0.974,1031 72.763,1032 82.889,1034 0.209,1035 0.511,1036 0.743,1037 0.831,1038 0.856,1039 0.86,1040 5.15,1041 1.801,1042 5.994,1043 5.83,1044 4.654,1045 5.147,1046 1.858,1047 6.746,1048 4.611,1049 6.32,1050 1.666,1051 7.514,1052 5.01,1053 4.111,1054 4.771,1055 0.57,1056 7.513,1057 4.056,1058 7.597,1059 1.428,1060 9.129,1061 4.849,1062 6.192,1063 7.238,1064 1.49,1065 10.591,1066 6.122,1067 8.908,1068 1.386,1069 10.802,1070 3.006,1071 6.479,1072 7.674,1073 0.674,1074 12.219,1075 6.417,1076 10.252,1077 1,1078 12.514,1079 2.991,1080 7.995,1081 9.609,1082 1.248,1083 14.817,1084 7.924,1085 11.618,1086 1,1087 14.254,1088 2.275,1089 8.691,1090 10.453,1091 0.694,1092 16.851,1093 8.644,1094 13.005,1095 0.887,1096 16.016,1097 2.179,1098 9.97,1099 12.138,1100 1.08,1101 19.292,1102 9.922,1103 3.188,1104 0.618,1105 17.796,1106 2.136,1107 10.881,1108 13.21,1109 0.692,1110 21.52,1111 10.864,1112 2.732,1113 10.795,1114 19.593,1115 1.099,1116 12.061,1117 14.763,1118 0.96,1119 23.913,1120 12.052,1121 2.591,1122 7.854,1123 21.404,1124 4.132,1125 13.084,1126 15.97,1127 0.684,1128 26.227,1129 13.105,1130 2.482,1131 7.593,1132 23.228,1133 3.694,1134 14.229,1135 17.451,1136 0.874,1137 28.607,1138 14.263,1139 2.434,1140 7.128,1141 25.063,1142 3.455,1143 15.311,1144 18.739,1145 0.674,1146 30.957,1147 15.371,1148 2.266,1149 6.686,1150 26.907,1151 3.285,1152 16.447,1153 20.181,1154 0.81,1155 33.335,1156 16.525,1157 1.954,1158 6.636,1159 28.761,1160 2.877,1161 17.56,1162 21.517,1163 0.666,1164 35.701,1165 17.661,1166 22509,1167 32108,1168 26.235,1169 48.626,1170 57.004,1171 57.96,1172 58.465,1173 56.482,1174 56.456,1175 71.76,1176 7.387,1177 155.088,1178 55.203,1179 5.45,1180 5.703,1181 6.496,1182 5.26,1183 5.188,1184 7.132,1185 1.855,1186 17.878,1187 5.223,1188 17.14,1189 1.462,1190 1.486,1191 1.499,1192 1.448,1193 1.448,1194 1.84,1195 0.189,1196 3.977,1197 1.415,1198 4.068,1199 4.087,1200 4.021,1201 4.008,1202 7.427,1203 4.008,1204 3.938,1205 3.971,1206 3.87,1207 3.869,1208 4.844,1209 3.865,1210 3.877,1211 3.905,1212 3.81,1213 3.826,1214 4.765,1215 3.819,1216 3.767,1217 3.842,1218 3.628,1219 3.577,1220 4.726,1221 3.579,1222 3.568,1223 3.621,1224 3.476,1225 3.43,1226 4.376,1227 3.434,1228 3.484,1229 3.552,1230 3.348,1231 3.29,1232 4.279,1233 3.29,1234 3.379,1235 3.437,1236 3.217,1237 3.235,1238 4.201,1239 3.222,1240 3.306,1241 3.407,1242 3.04,1243 3.123,1244 4.024,1245 3.089,1246 0.116,1247 0.095,1248 0.172,1249 0.108,1250 0.082,1251 4.527,1252 0.106,1253 3.703,1254 0.026,1255 6.694,1256 0.277,1257 4.199,1258 0.083,1259 3.188,1260 4.132,1261 0.995,1262 10.795,1263 3.223,1264 1.956,1265 1.93,1266 2.073,1267 2.047,1268 1.264,1269 2.058,1270 1.902,1271 1.874,1272 2.026,1273 1.99,1274 1.241,1275 1.997,1276 1.889,1277 1.873,1278 1.995,1279 1.978,1280 1.165,1281 1.991,1282 1.724,1283 1.65,1284 1.956,1285 1.93,1286 1.125,1287 1.942,1288 1.594,1289 1.562,1290 1.773,1291 1.751,1292 1.02,1293 1.759,1294 1.465,1295 1.394,1296 1.764,1297 1.68,1298 0.936,1299 1.712,1300 1.43,1301 1.359,1302 1.725,1303 1.624,1304 0.869,1305 1.638,1306 1.351,1307 1.256,1308 1.657,1309 1.584,1310 0.802,1311 1.635,1312 4.369,1314 5.659,1315 2.398,1316 7.135,1317 4.844,1318 8.693,1319 7.018,1320 10.295,1322 6.515,1328 7.341,1330 5.98,1333 4.709,1340 44.955,1341 96.078,1342 234.768,1343 341.196,1344 381.725,1345 393.235,1346 395.235,1347 65.701,1348 8.211,1349 32.78,1350 32.78,1351 23,1352 12.608,1353 4.392,1354 3.585,1355 62.664,1356 213,1357 211,1358 0.139,1359 277.532,1360 490.56,1361 668.937,1362 51234,1364 25.33,1365 0.704,1366 0.608,1367 25.33,1368 21.873,1369 17.55,1370 0.45,1371 0.336,1372 12.986,1373 17.12,1374 12.536,1375 10.487,1376 17.55,1377 13.101,1378 15.128,1379 0.291,1380 0.185,1381 15.128,1382 9.623,1383 12.602,1384 0.191,1385 0.104,1386 12.602,1387 6.844,1388 10.225,1389 0.123,1390 0.058,1391 10.225,1392 4.804,1393 7.892,1394 0.079,1395 0.03,1396 7.892,1397 3.031,1398 0.229,1399 108.097,1400 0.195,1401 34.237,1402 0.351,1403 182,1404 432.761,1405 191.477,1406 425.973,1407 587.93,1408 402,1409 209,1410 426.964,1411 219.311,1412 441.369,1413 640.12,1414 414,1415 5.793}
{0 CHEMBL597188,1 1.27,2 19.538,3 7.839,4 61.444,5 165.717,6 6.323,7 0.429,8 4.459,9 4.59,10 3.886,11 4.023,12 5.409,13 3.957,14 5.031,15 5.237,16 4.182,17 4.408,18 5.891,19 4.312,20 5.297,21 5.53,22 4.259,23 4.576,24 6.131,25 4.444,26 5.409,27 5.671,28 4.187,29 4.583,30 6.215,31 4.421,32 5.393,33 5.662,34 4.125,35 4.553,36 6.188,37 4.383,38 5.355,39 5.633,40 4.061,41 4.51,42 6.147,43 4.328,44 5.243,45 5.52,46 3.992,47 4.429,48 5.987,49 4.253,50 5.146,51 5.406,52 3.937,53 4.33,54 5.944,55 4.169,56 0.085,57 1.107,58 19.579,59 8.456,60 11.937,61 11.812,62 0.263,63 1.844,64 35.227,65 13.578,66 26.377,67 19.482,68 0.321,69 2.281,70 45.709,71 18.175,72 39.473,73 25.801,74 0.386,75 2.44,76 51.057,77 20.019,78 52.885,79 28.491,80 0.389,81 2.372,82 50.161,83 19.804,84 55.51,85 28.126,86 0.5,87 2.258,88 48.154,89 19.485,90 61.391,91 27.664,92 0.251,93 2.047,94 42.54,95 17.808,96 37.806,97 25.297,98 0.288,99 1.854,100 39.123,101 15.723,102 40.437,103 22.148,104 28,105 55,106 0.192,107 0.475,108 0.714,109 0.813,110 0.834,111 0.838,112 3.692,113 1.043,114 -6.7,115 -6.51,116 -6.04,121 42.2,122 2,123 5,126 1,127 6,137 1,138 1,144 12,145 5,146 1,159 1,176 23,180 10,187 26,192 12,200 20,206 12,214 19,219 5,227 22,231 2,232 4,239 27,244 3,251 25,256 7,264 19,268 1,269 7,277 12,281 3730,282 26.808,283 26.808,284 26.808,285 26.808,286 26.808,287 24.373,288 29.975,289 16.275,290 27.207,291 20.643,292 20.643,293 20.643,294 20.643,295 20.643,296 16.896,297 35.211,298 7.66,299 21.175,300 5.105,301 3.241,302 1.66,303 1.009,304 0.871,305 0.847,306 4.39,313 1612,314 4.583,318 554.128,322 212.234,325 3.732,326 22.761,329 0.5,330 0.5,331 0.5,332 0.8,333 1,334 0.5,335 0.5,336 0.61,337 81,338 762,339 4.478,340 3.66,341 6.639,342 4.145,343 3.134,344 4.085,345 0.995,346 10.564,347 3.17,348 4.105,349 3.042,350 5.789,351 3.72,352 2.738,353 3.708,354 0.86,355 8.056,356 2.697,357 3.941,358 2.956,359 5.591,360 3.594,361 2.615,362 3.455,363 0.8,364 7.673,365 2.562,366 3.874,367 2.781,368 5.413,369 3.478,370 2.493,371 3.319,372 0.359,373 7.148,374 2.457,375 3.585,376 2.721,377 5.271,378 3.366,379 2.446,380 2.889,382 6.699,383 2.251,384 3.446,385 2.542,386 5.265,387 3.246,388 2.275,389 2.559,391 6.643,392 2.206,393 3.346,394 2.483,395 5.107,396 3.012,397 2.047,398 2.446,400 6.094,401 1.961,402 3.118,403 2.195,404 4.675,405 2.827,406 1.852,407 2.248,409 4.978,410 1.799,411 3.016,412 1.974,413 4.595,414 2.72,415 1.718,416 2.143,418 4.734,419 1.715,420 2.775,421 1.798,422 3.783,423 2.684,424 1.697,425 1.854,427 3.493,428 1.671,429 2.737,430 1.51,431 3.63,432 2.377,433 1.387,434 1.74,436 2.993,437 1.371,438 2.5,439 1.486,440 3.569,441 2.095,442 1.134,443 1.5,445 2.447,446 1.081,447 2.5,448 1.332,449 3.414,450 2,451 1,452 1.5,454 2.275,455 1,456 2.498,457 1,458 3.306,459 2,460 1,461 1.381,463 2.195,464 1,465 2.143,466 1,467 3.247,468 1.958,469 0.94,470 1.117,472 2.136,473 0.952,474 18.967,475 0.486,476 0.708,477 0.018,478 44.75,479 1.147,480 21.5,481 0.551,482 23.25,483 0.596,484 39.939,485 1.024,486 42.833,487 0.516,488 34.822,489 0.893,490 8.619,491 0.221,492 10.431,493 0.267,494 0.097,496 0.253,501 0.774,502 1.32,503 0.96,504 1.174,505 0.637,506 1.094,507 1.245,508 1.015,509 1.042,510 0.97,511 0.686,512 0.974,513 1.14,514 1.081,515 1.05,516 1.067,517 0.848,518 1.051,519 1.188,520 1.031,521 1.026,522 1.025,523 1.273,524 1.015,525 1.191,526 0.96,527 1.012,528 0.979,529 1.225,530 0.983,531 0.841,532 0.892,533 0.941,534 0.94,535 0.883,536 0.95,537 0.663,538 0.947,539 0.877,540 0.975,541 0.814,542 0.95,543 1.177,544 1.024,545 0.992,546 1.016,547 1.069,548 1,549 7,550 0.186,551 3.111,552 2.125,553 1.911,554 0.847,555 0.807,556 0.332,557 0.369,558 0.302,559 30356,560 57913,561 2.067,562 53,563 6,564 28,569 10,572 1.786,573 1.966,574 4.197,575 -0.891,582 105.388,583 1.27,584 3.134,585 4.715,586 5.366,587 5.504,588 5.528,589 3.765,590 4.907,591 5.245,592 4.438,593 3288.39,594 9.21,595 63509.6,600 529.128,601 1.252,602 5.231,603 0.167,604 0.005,605 0.057,606 0.037,607 0.037,608 0.018,609 0.018,610 0.008,611 0.009,612 0.008,613 0.363,614 0.33,615 0.63,616 1.641,617 227.782,618 0.049,619 -0.129,620 0.06,621 -0.044,622 0.001,623 -0.002,624 -0.096,625 0.115,626 -0.011,627 0.053,628 0.025,629 0.036,630 -0.045,631 -0.035,632 -0.041,633 -0.052,634 0.043,635 -0.045,636 -0.042,637 -0.042,638 -0.026,639 -0.039,640 -0.018,641 -0.032,642 -0.059,643 0.013,644 -0.016,645 0.004,646 -0.04,647 -0.001,648 0.15,649 0.061,650 0.04,651 0.048,652 0.102,653 0.037,654 0.056,655 0.01,656 0.083,657 0.028,658 0.04,659 0.054,660 -0.027,661 -0.056,662 0.005,663 -0.018,664 -0.042,665 -0.008,666 1.522,667 6.235,668 0.564,669 75.32,670 0.981,671 1.122,672 5.468,673 29.899,674 0.65,675 3.761,676 4.025,677 4.248,678 4.454,679 4.663,680 4.691,681 4.836,682 4.97,683 5.088,684 5.159,685 11.17,686 0.597,687 524.81,688 3.761,689 5.273,690 6.094,691 6.938,692 7.774,693 8.627,694 9.473,695 10.332,696 11.185,697 12.049,698 2.4,701 2,715 12,720 6,722 18,727 1,739 1,741 83,743 20,744 3,745 42,747 86,748 35,749 18,750 6,751 12,752 3,756 4,757 5,763 2,767 2,770 5,772 21,773 14,777 2,782 1,784 1,786 2,793 44,794 4,796 4,802 2,808 0.75,809 2,829 4,833 1,849 1,850 1,855 2,859 3,864 3,868 39,876 11,878 1,881 2,893 2.4,896 1,898 1,901 19.833,902 15.567,903 8.917,904 5.582,907 3.846,908 1.46,909 0.964,910 11.088,911 12.215,912 3.989,913 4.494,914 5.006,915 5.499,916 6.014,917 6.164,918 6.526,919 6.876,920 7.214,921 7.55,922 1,923 57,924 14.509,926 5.926,927 0.026,929 7.457,931 28.819,933 23.421,936 1.957,937 76.333,941 517.928,942 206.522,943 6.249,945 36.145,948 206.522,949 554.073,950 6.249,951 26.047,952 27.794,953 123.191,954 30.278,955 41.605,957 517.928,959 517.928,960 212.771,961 36.145,964 400.217,965 153.856,968 51.693,969 151.602,970 9.476,972 517.928,973 42.393,974 206.522,977 517.928,978 57.284,979 155.487,981 36.145,982 517.928,983 42.393,984 206.522,986 0.563,987 0.325,988 0.169,989 0.088,990 22,991 10,992 0.163,993 14,994 1,995 1.091,996 5.198,997 346.433,998 0.091,999 22,1000 194.131,1005 28.956,1006 14.934,1007 8.73,1009 42.393,1010 25.107,1015 6.471,1018 766.844,1019 53,1024 13.235,1026 2.061,1028 1.032,1031 81.414,1032 93.135,1034 0.199,1035 0.492,1036 0.74,1037 0.842,1038 0.863,1039 0.867,1040 5.201,1041 1.852,1042 6.038,1043 6.094,1044 4.71,1045 5.182,1046 1.702,1047 6.772,1048 4.669,1049 6.357,1050 1.718,1051 7.546,1052 4.978,1053 4.111,1054 4.771,1055 0.57,1056 7.513,1057 4.056,1058 7.626,1059 1.697,1060 9.151,1061 4.734,1062 6.229,1063 7.25,1064 1.388,1065 10.587,1066 6.16,1067 8.927,1068 1.387,1069 10.816,1070 3.493,1071 6.463,1072 7.667,1073 0.674,1074 12.179,1075 6.4,1076 10.263,1077 1.134,1078 12.521,1079 2.993,1080 8.001,1081 9.604,1082 1.19,1083 14.77,1084 7.929,1085 11.621,1086 1,1087 14.254,1088 2.447,1089 8.65,1090 10.429,1091 0.694,1092 16.756,1093 8.599,1094 12.999,1095 1,1096 16.01,1097 2.275,1098 9.937,1099 12.113,1100 1.049,1101 19.188,1102 9.884,1103 3.134,1104 0.94,1105 17.783,1106 2.195,1107 10.808,1108 13.166,1109 0.692,1110 21.367,1111 10.783,1112 2.738,1113 10.564,1114 19.572,1115 2.136,1116 11.984,1117 14.716,1118 0.944,1119 23.745,1120 11.965,1121 2.615,1122 8.056,1123 21.374,1124 4.085,1125 12.973,1126 15.903,1127 0.684,1128 26.017,1129 12.983,1130 2.493,1131 7.673,1132 23.188,1133 3.708,1134 14.105,1135 17.379,1136 0.865,1137 28.378,1138 14.128,1139 2.446,1140 7.148,1141 25.012,1142 3.455,1143 15.157,1144 18.646,1145 0.674,1146 30.694,1147 15.206,1148 2.275,1149 6.699,1150 26.846,1151 3.319,1152 16.276,1153 20.082,1154 0.806,1155 33.051,1156 16.342,1157 2.047,1158 6.643,1159 28.688,1160 2.889,1161 17.363,1162 21.399,1163 0.666,1164 35.388,1165 17.452,1166 29195,1167 40593,1168 28.315,1169 53.91,1170 60.844,1171 61.748,1172 62.007,1173 60.232,1174 60.17,1175 75.458,1176 6.027,1177 162.388,1178 58.914,1179 5.425,1180 5.66,1181 6.467,1182 5.196,1183 5.134,1184 7.085,1185 1.855,1186 17.807,1187 5.17,1188 18.245,1189 1.449,1190 1.47,1191 1.476,1192 1.434,1193 1.433,1194 1.797,1195 0.144,1196 3.866,1197 1.403,1198 4.058,1199 4.081,1200 4.004,1201 3.995,1202 7.427,1203 3.993,1204 3.938,1205 3.97,1206 3.87,1207 3.869,1208 4.838,1209 3.865,1210 3.882,1211 3.91,1212 3.813,1213 3.831,1214 4.767,1215 3.823,1216 3.793,1217 3.865,1218 3.649,1219 3.63,1220 4.727,1221 3.623,1222 3.63,1223 3.688,1224 3.525,1225 3.486,1226 4.359,1227 3.488,1228 3.556,1229 3.62,1230 3.407,1231 3.41,1232 4.312,1233 3.399,1234 3.462,1235 3.526,1236 3.33,1237 3.281,1238 4.213,1239 3.283,1240 3.306,1241 3.407,1242 3.057,1243 3.123,1244 4.076,1245 3.089,1246 0.107,1247 0.087,1248 0.158,1249 0.099,1250 0.075,1251 4.478,1252 0.097,1253 3.66,1254 0.024,1255 6.639,1256 0.252,1257 4.145,1258 0.075,1259 3.134,1260 4.085,1261 0.995,1262 10.564,1263 3.17,1264 2.012,1265 1.994,1266 2.111,1267 2.092,1268 1.352,1269 2.098,1270 1.931,1271 1.902,1272 2.056,1273 2.03,1274 1.334,1275 2.041,1276 1.89,1277 1.864,1278 2.017,1279 1.974,1280 1.227,1281 1.992,1282 1.769,1283 1.702,1284 2.001,1285 1.958,1286 1.133,1287 1.975,1288 1.613,1289 1.556,1290 1.884,1291 1.818,1292 1.123,1293 1.843,1294 1.556,1295 1.499,1296 1.755,1297 1.727,1298 0.923,1299 1.742,1300 1.443,1301 1.37,1302 1.725,1303 1.638,1304 0.869,1305 1.658,1306 1.351,1307 1.256,1308 1.69,1309 1.584,1310 0.863,1311 1.638,1312 4.443,1314 5.72,1316 7.191,1318 8.752,1320 10.363,1322 6.584,1328 11.045,1330 6.018,1333 4.78,1340 49.535,1341 105.388,1342 260.158,1343 391.315,1344 445.354,1345 456.864,1346 458.864,1347 76.916,1348 8.368,1349 32.78,1350 32.78,1351 24,1352 12.599,1353 4.392,1354 3.585,1355 71.109,1356 258,1357 266,1358 0.13,1359 306.309,1360 542.46,1361 739.153,1362 64666,1364 27.451,1365 0.704,1366 0.615,1367 27.451,1368 23.995,1369 19.05,1370 0.454,1371 0.348,1372 14.486,1373 18.62,1374 14.01,1375 11.725,1376 19.05,1377 14.601,1378 16.177,1379 0.294,1380 0.194,1381 16.177,1382 10.653,1383 13.405,1384 0.194,1385 0.111,1386 13.405,1387 7.627,1388 10.749,1389 0.126,1390 0.062,1391 10.749,1392 5.309,1393 8.441,1394 0.08,1395 0.034,1396 8.441,1397 3.523,1398 0.217,1399 117.097,1400 0.188,1401 36.831,1402 0.323,1403 194,1404 444.761,1405 203.477,1406 438.283,1407 605.13,1408 414,1409 221,1410 438.964,1411 231.311,1412 453.375,1413 656.44,1414 426,1415 7.252}
{0 CHEMBL597405,1 1.293,2 13.8,3 5.796,4 33.597,5 124.239,6 6.975,7 0.545,8 4.109,9 4.221,10 3.631,11 3.726,12 5.158,13 3.677,14 4.641,15 4.813,16 3.953,17 4.11,18 5.614,19 4.041,20 4.86,21 5.049,22 4.006,23 4.244,24 5.824,25 4.141,26 4.991,27 5.232,28 3.898,29 4.229,30 5.882,31 4.091,32 4.939,33 5.184,34 3.905,35 4.196,36 5.868,37 4.064,38 4.91,39 5.141,40 3.812,41 4.191,42 5.844,43 4.044,44 4.874,45 5.131,46 3.641,47 4.092,48 5.738,49 3.923,50 4.661,51 4.921,52 3.499,53 3.902,54 5.467,55 3.737,56 0.041,57 0.714,58 12.05,59 5.606,60 8.704,61 7.44,62 0.168,63 1.215,64 22.129,65 9.153,66 18.898,67 12.3,68 0.163,69 1.487,70 27.802,71 11.844,72 26.125,73 16.055,74 0.252,75 1.669,76 33.367,77 13.478,78 41.616,79 18.56,80 0.306,81 1.577,82 31.621,83 13.02,84 44.857,85 18.099,86 0.206,87 1.513,88 30.347,89 12.959,90 42.527,91 17.695,92 0.224,93 1.452,94 29.903,95 12.526,96 42.438,97 17.306,98 0.115,99 1.191,100 23.771,101 10.267,102 24.168,103 14.45,104 14,105 45,106 0.21,107 0.511,108 0.701,109 0.8,110 0.836,111 0.841,112 3.44,113 0.949,114 -5.99,115 -5.84,116 -5.44,121 47.4,122 1,123 1,126 1,127 3,137 1,138 1,144 12,145 5,146 1,159 1,176 20,180 7,187 24,192 10,200 19,206 7,214 13,218 1,219 7,227 18,232 4,239 22,244 3,251 20,256 3,264 14,268 1,269 4,277 9,281 1480,282 20.704,283 20.704,284 20.704,285 20.704,286 20.704,287 18.269,288 23.948,289 12.285,290 20.993,291 16.193,292 16.193,293 16.193,294 16.193,295 16.193,296 12.45,297 32.028,298 5.751,299 16.508,300 4.54,301 2.687,302 1.524,303 0.91,304 0.693,305 0.658,306 4.139,312 1,313 899,314 3.464,317 73.342,318 312.466,321 140.681,325 2.173,326 18.521,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 62.5,338 414,339 4.53,340 3.705,341 6.698,342 4.201,343 3.19,344 4.136,345 0.995,346 10.815,347 3.225,348 4.09,349 3.08,350 5.702,351 3.728,352 2.754,353 3.694,354 0.86,355 7.993,356 2.694,357 3.936,358 2.865,359 5.636,360 3.582,361 2.597,362 3.456,363 0.68,364 7.665,365 2.557,366 3.828,367 2.723,368 5.395,369 3.418,370 2.442,371 3.258,372 0.359,373 7.048,374 2.387,375 3.565,376 2.593,377 5.219,378 3.239,379 2.27,380 2.857,382 6.566,383 2.195,384 3.333,385 2.448,386 5.129,387 2.979,388 2.012,389 2.553,391 6.002,392 1.937,393 3.192,394 2.187,395 4.843,396 2.879,397 1.88,398 2.319,400 5.422,401 1.864,402 2.998,403 1.904,404 4.727,405 2.616,406 1.616,407 2.121,409 4.868,410 1.613,411 2.818,412 1.512,413 3.586,414 2.408,415 1.414,416 1.924,418 3.022,419 1.404,420 2.5,421 1.322,422 3.543,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1.118,431 3.414,432 2,433 1,434 1.5,436 2.136,437 1,438 2.398,439 1,440 3.247,441 1.855,442 0.83,443 1.206,445 2.032,446 0.844,447 1.78,448 1,449 3.098,450 1.479,451 0.547,452 0.638,454 1.036,455 0.5,456 1.528,457 0.641,458 2.876,459 1.393,460 0.443,461 0.468,463 0.691,464 0.42,465 1.391,466 0.479,467 2.752,468 1.179,469 0.211,470 0.242,472 0.437,473 0.204,474 14.567,475 0.486,476 0.601,477 0.02,478 39.5,479 1.317,480 21.5,481 0.717,482 18,483 0.6,484 24.039,485 0.801,486 31.033,487 0.544,488 29.374,489 0.979,490 8.055,491 0.268,492 6.602,493 0.22,494 0.092,496 0.302,501 0.711,502 1.136,503 0.836,504 1.03,505 0.596,506 0.956,507 1.158,508 0.919,509 0.949,510 0.871,511 0.694,512 0.878,513 0.947,514 1.188,515 1.064,516 1.15,517 0.841,518 1.119,519 1.049,520 1.044,521 1.029,522 1.016,523 1.228,524 1.017,525 0.69,526 0.937,527 0.882,528 0.941,529 0.786,530 0.927,531 0.929,532 1.04,533 1.066,534 1.077,535 1.127,536 1.086,537 0.899,538 0.943,539 1.025,540 0.98,541 1.236,542 1.012,543 0.44,544 1.051,545 0.903,546 1.053,547 0.459,548 1.027,549 6,550 0.172,551 2.444,552 2.139,553 1.427,554 0.966,555 0.631,556 0.242,557 0.266,558 0.144,559 13542,560 30441,561 2.107,562 47.4,563 2,564 22,569 3,572 1.722,573 2,574 3.726,575 -0.891,582 73.711,583 1.293,584 3.145,585 4.308,586 4.923,587 5.14,588 5.175,589 3.244,590 4.482,591 4.878,592 3.903,593 1698.02,594 8.476,595 24835,600 332.475,601 1.295,602 4.851,603 0.182,604 0.008,605 0.054,606 0.048,607 0.037,608 0.024,609 0.018,610 0.008,611 0.01,612 0.006,613 0.394,614 0.5,615 0.88,616 0.756,617 157.641,618 0.027,619 -0.076,620 0.059,621 -0.019,622 -0.019,623 0.015,624 -0.11,625 0.149,626 0.007,627 0.104,628 -0.015,629 0.076,630 -0.034,631 -0.166,632 -0.114,633 -0.166,634 0.02,635 -0.149,636 -0.053,637 -0.047,638 -0.042,639 -0.044,640 -0.071,641 -0.042,642 0.175,643 0.05,644 0.097,645 0.041,646 0.166,647 0.061,648 -0.058,649 -0.075,650 -0.099,651 -0.083,652 -0.025,653 -0.093,654 -0.066,655 0.011,656 -0.046,657 0.01,658 -0.111,659 -0.013,660 0.081,661 -0.092,662 0.052,663 -0.057,664 0.031,665 -0.014,666 1.562,667 5.764,668 0.7,669 33.667,670 0.987,671 1.111,672 4.762,673 22.672,674 0.681,675 3.526,676 3.829,677 4.094,678 4.344,679 4.575,680 4.585,681 4.718,682 4.844,683 4.844,684 4.905,685 7.941,686 0.637,687 397.55,688 3.526,689 5.056,690 5.9,691 6.767,692 7.629,693 8.503,694 9.373,695 10.251,696 11.126,697 12.007,698 1.8,701 1,715 12,720 6,722 18,727 1,739 1,741 57,743 20,744 3,745 33,747 60,748 27,749 18,750 6,751 12,752 3,756 4,757 5,763 1,767 1,770 1,772 21,773 6,777 2,782 1,784 1,786 2,793 27,794 3,796 3,802 1,808 0.75,809 2,828 1,829 3,832 1,849 1,850 1,855 1,859 3,864 2,868 30,876 4,878 1,881 1,893 3.5,896 1,898 1,901 15,902 10.867,903 6.75,904 3.515,907 3.835,908 1.494,909 0.994,910 6.227,911 11.597,912 3.807,913 4.376,914 4.936,915 5.47,916 6.018,917 6.163,918 6.545,919 6.934,920 7.226,921 7.591,922 1,923 45,924 11.106,926 4.64,927 0.026,929 7.561,931 21.689,933 17.797,936 2.061,937 61.833,941 317.82,942 181.241,943 3.124,945 36.145,948 181.241,949 353.965,950 3.124,951 19.708,952 8.852,953 123.191,954 30.278,955 38.481,957 317.82,959 317.82,960 184.366,961 36.145,964 282.506,965 71.458,968 20.801,969 154.088,970 9.476,972 317.82,973 39.269,974 181.241,977 317.82,978 38.342,979 146.024,981 36.145,982 317.82,983 39.269,984 181.241,986 0.571,987 0.338,988 0.181,989 0.104,990 21,991 9,992 0.117,993 7,994 1,995 1.095,996 4.287,997 257.794,998 0.095,999 21,1000 139.207,1005 20.28,1006 9.212,1007 4.783,1009 39.269,1010 24.852,1015 6.23,1018 538.33,1019 44,1024 12.764,1026 2.014,1028 0.943,1031 56.243,1032 63.315,1034 0.222,1035 0.539,1036 0.739,1037 0.844,1038 0.881,1039 0.887,1040 5.027,1041 1.616,1042 5.866,1043 5.422,1044 4.511,1045 5.063,1046 1.696,1047 6.645,1048 4.483,1049 6.218,1050 1.414,1051 7.402,1052 4.868,1053 4.007,1054 4.718,1055 0.325,1056 7.452,1057 3.977,1058 7.509,1059 1,1060 9.032,1061 3.022,1062 6.075,1063 7.198,1064 1.38,1065 10.541,1066 6.032,1067 8.835,1068 1,1069 10.719,1070 2.275,1071 6.399,1072 7.651,1073 0.504,1074 12.194,1075 6.365,1076 10.19,1077 0.83,1078 12.443,1079 2.136,1080 7.908,1081 9.591,1082 1.168,1083 14.802,1084 7.869,1085 11.567,1086 0.547,1087 14.194,1088 2.032,1089 8.633,1090 10.442,1091 0.585,1092 16.851,1093 8.613,1094 12.963,1095 0.443,1096 15.966,1097 1.036,1098 9.911,1099 12.131,1100 1.021,1101 19.299,1102 9.893,1103 3.19,1104 0.211,1105 17.756,1106 0.691,1107 10.843,1108 13.207,1109 0.622,1110 21.534,1111 10.848,1112 2.754,1113 10.815,1114 19.561,1115 0.437,1116 12.026,1117 14.762,1118 0.918,1119 23.931,1120 12.039,1121 2.597,1122 7.993,1123 21.38,1124 4.136,1125 13.064,1126 15.972,1127 0.639,1128 26.248,1129 13.1,1130 2.442,1131 7.665,1132 23.21,1133 3.694,1134 14.213,1135 17.454,1136 0.844,1137 28.63,1138 14.261,1139 2.27,1140 7.048,1141 25.05,1142 3.456,1143 15.304,1144 18.744,1145 0.646,1146 30.983,1147 15.373,1148 2.012,1149 6.566,1150 26.9,1151 3.258,1152 16.444,1153 20.188,1154 0.791,1155 33.363,1156 16.529,1157 1.88,1158 6.002,1159 28.758,1160 2.857,1161 17.562,1162 21.526,1163 0.648,1164 35.731,1165 17.667,1166 12791,1167 19329,1168 22.364,1169 38.813,1170 48.777,1171 50.082,1172 49.913,1173 48.368,1174 48.41,1175 63.742,1176 5.787,1177 136.014,1178 47.684,1179 5.392,1180 5.705,1181 6.5,1182 5.21,1183 5.19,1184 7.136,1185 1.855,1186 17.864,1187 5.225,1188 12.819,1189 1.478,1190 1.518,1191 1.513,1192 1.466,1193 1.467,1194 1.932,1195 0.175,1196 4.122,1197 1.445,1198 4.064,1199 4.083,1200 4.018,1201 4.006,1202 7.427,1203 4.006,1204 3.941,1205 3.974,1206 3.873,1207 3.87,1208 4.858,1209 3.867,1210 3.876,1211 3.903,1212 3.809,1213 3.826,1214 4.768,1215 3.818,1216 3.603,1217 3.669,1218 3.495,1219 3.453,1220 4.727,1221 3.455,1222 3.493,1223 3.526,1224 3.389,1225 3.346,1226 4.39,1227 3.346,1228 3.218,1229 3.292,1230 3.039,1231 3.031,1232 4.216,1233 3.018,1234 3.153,1235 3.233,1236 2.96,1237 2.956,1238 4.032,1239 2.947,1240 3.022,1241 3.072,1242 2.905,1243 2.887,1244 3.768,1245 2.885,1246 0.137,1247 0.112,1248 0.203,1249 0.127,1250 0.097,1251 4.53,1252 0.125,1253 3.705,1254 0.03,1255 6.698,1256 0.328,1257 4.201,1258 0.098,1259 3.19,1260 4.136,1261 0.995,1262 10.815,1263 3.225,1264 1.958,1265 1.931,1266 2.076,1267 2.051,1268 1.261,1269 2.062,1270 1.903,1271 1.874,1272 2.026,1273 1.979,1274 1.17,1275 1.996,1276 1.886,1277 1.871,1278 1.977,1279 1.97,1280 1.125,1281 1.971,1282 1.617,1283 1.574,1284 1.845,1285 1.796,1286 1.005,1287 1.815,1288 1.511,1289 1.452,1290 1.698,1291 1.66,1292 0.887,1293 1.673,1294 1.218,1295 1.16,1296 1.568,1297 1.52,1298 0.683,1299 1.533,1300 1.192,1301 1.116,1302 1.5,1303 1.414,1304 0.579,1305 1.451,1306 1.031,1307 0.979,1308 1.313,1309 1.2,1310 0.528,1311 1.24,1312 4.205,1314 5.509,1315 2.398,1316 7.008,1317 4.844,1318 8.588,1319 7.018,1320 10.212,1322 3.819,1328 3.531,1330 5.257,1333 2.424,1340 36.299,1341 73.711,1342 179.292,1343 245.581,1344 280.6,1345 292.965,1346 294.965,1347 46.9,1348 7.762,1349 29.54,1350 29.54,1351 23,1352 12.543,1353 4.392,1354 3.585,1355 47.406,1356 146,1357 130,1358 0.158,1359 222.776,1360 393.06,1361 535.332,1362 27558,1364 20.924,1365 0.697,1366 0.587,1367 20.924,1368 17.598,1369 14.657,1370 0.444,1371 0.316,1372 10.347,1373 14.328,1374 9.992,1375 8.349,1376 14.657,1377 10.434,1378 12.738,1379 0.283,1380 0.172,1381 12.738,1382 7.729,1383 10.996,1384 0.186,1385 0.096,1386 10.996,1387 5.657,1388 8.857,1389 0.117,1390 0.052,1391 8.857,1392 3.923,1393 7.465,1394 0.078,1395 0.029,1396 7.465,1397 2.773,1398 0.257,1399 90.244,1400 0.211,1401 28.978,1402 0.411,1403 156,1404 387.116,1405 163.064,1406 382.049,1407 527.59,1408 360,1409 182,1410 383.294,1411 189.648,1412 398.642,1413 577.87,1414 373,1415 5.307}
{0 CHEMBL597406,1 1.241,2 12.519,3 5.464,4 29.854,5 113.027,6 7.07,7 0.6,8 3.979,9 4.092,10 3.519,11 3.64,12 5.033,13 3.585,14 4.498,15 4.665,16 3.845,17 4.032,18 5.478,19 3.956,20 4.736,21 4.922,22 3.867,23 4.151,24 5.708,25 4.033,26 4.871,27 5.134,28 3.723,29 4.077,30 5.754,31 3.929,32 4.681,33 4.907,34 3.654,35 3.993,36 5.634,37 3.858,38 4.711,39 4.966,40 3.553,41 3.967,42 5.6,43 3.807,44 4.559,45 4.816,46 3.452,47 3.844,48 5.414,49 3.69,50 4.363,51 4.588,52 3.319,53 3.716,54 5.23,55 3.562,56 0.039,57 0.607,58 10.192,59 4.735,60 7.429,61 6.42,62 0.115,63 1.055,64 18.388,65 7.802,66 13.046,67 10.697,68 0.107,69 1.293,70 23.824,71 10.648,72 21.76,73 14.573,74 0.226,75 1.507,76 30.023,77 12.162,78 41.081,79 16.795,80 0.159,81 1.238,82 23.753,83 9.972,84 32.11,85 13.686,86 0.16,87 1.254,88 25.134,89 10.796,90 35.476,91 14.919,92 0.128,93 1.082,94 21.491,95 9.3,96 25.775,97 12.961,98 0.072,99 0.893,100 16.853,101 7.572,102 16.441,103 10.589,104 5,105 41,106 0.207,107 0.478,108 0.625,109 0.749,110 0.822,111 0.838,112 3.339,113 0.933,114 -6.15,115 -6,116 -5.58,121 50,123 1,126 1,127 2,137 1,138 1,144 13,145 5,159 1,176 22,180 4,187 26,192 8,200 20,206 7,214 13,219 5,227 15,232 3,239 19,244 2,251 20,256 1,264 15,268 1,269 2,277 9,281 1076,282 18.516,283 18.516,284 18.516,285 18.516,286 18.516,287 16.053,288 18.054,289 11.137,290 18.59,291 14.855,292 14.855,293 14.855,294 14.855,295 14.855,296 11.189,297 25.609,298 5.366,299 14.955,300 4.403,301 2.774,302 1.897,303 1.15,304 0.71,305 0.615,306 4.04,311 1,312 1,313 746,314 3.082,317 63.823,318 274.688,321 124.064,325 2.165,326 14.105,329 0.75,330 0.83,331 1,332 0.6,333 0.5,334 1,335 1,336 0.81,337 55.5,338 338,339 4.509,340 3.7,341 6.686,342 4.186,343 3.172,344 4.089,345 0.995,346 10.754,347 3.214,348 4.076,349 3.042,350 5.658,351 3.708,352 2.729,353 3.679,354 0.68,355 7.8,356 2.683,357 3.924,358 2.721,359 5.558,360 3.562,361 2.573,362 3.454,363 0.359,364 7.466,365 2.543,366 3.725,367 2.682,368 5.372,369 3.327,370 2.333,371 3.123,373 6.928,374 2.318,375 3.432,376 2.463,377 5.137,378 3.075,379 2.078,380 2.692,382 6.121,383 2.071,384 3.134,385 2.16,386 4.774,387 2.831,388 1.857,389 2.261,391 5.054,392 1.798,393 3.018,394 1.949,395 4.606,396 2.672,397 1.666,398 2.155,400 4.848,401 1.672,402 2.845,403 1.493,404 3.633,405 2.384,406 1.391,407 1.981,409 2.998,410 1.379,411 2.769,412 1.423,413 3.571,414 2.349,415 1.351,416 1.846,418 2.965,419 1.347,420 2.5,421 1.308,422 3.449,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1,431 3.414,432 2,433 1,434 1.5,436 2.136,437 1,438 2.39,439 1,440 3.247,441 1.822,442 0.78,443 1.175,445 1.89,446 0.807,447 1.511,448 0.509,449 3.015,450 1.255,451 0.264,452 0.312,454 0.679,455 0.261,456 1.244,457 0.306,458 2.797,459 0.908,460 -0.082,461 -0.101,463 -0.219,464 -0.081,465 1.027,466 0.09,467 2.319,468 0.705,469 -0.297,470 -0.372,472 -0.698,473 -0.295,474 13.233,475 0.49,476 0.571,477 0.021,478 37,479 1.37,480 21,481 0.778,482 16,483 0.593,484 19.323,485 0.716,486 26.967,487 0.539,488 26.124,489 0.968,490 7.587,491 0.281,492 5.6,493 0.207,494 0.063,496 0.295,501 0.617,502 1.058,503 0.821,504 0.946,505 0.563,506 0.904,507 1,508 0.898,509 0.96,510 0.882,511 0.636,512 0.899,513 0.82,514 1.292,515 1.109,516 1.261,517 0.839,518 1.214,519 1.3,520 0.931,521 0.958,522 0.895,523 1.221,524 0.901,525 1.185,526 1.05,527 1.086,528 1.058,529 1.095,530 1.061,531 0.991,532 0.932,533 0.982,534 0.966,535 1.074,536 0.975,537 0.782,538 0.855,539 0.894,540 0.882,541 0.821,542 0.896,543 0.484,544 1.179,545 1.068,546 1.183,547 0.544,548 1.168,549 5,550 0.118,551 2.222,552 2.076,553 1.116,554 0.712,555 0.52,556 0.124,557 0.216,558 0.134,559 10587,560 23138,561 2.142,562 46,563 2,564 21,572 1.693,573 2.051,574 3.595,575 -0.916,582 62.054,583 1.241,584 2.87,585 3.747,586 4.494,587 4.934,588 5.029,589 3.102,590 4.459,591 4.727,592 3.798,593 1332.95,594 8.162,595 18055.4,600 282.193,601 1.218,602 4.706,603 0.167,604 0.007,605 0.054,606 0.053,607 0.034,608 0.023,609 0.019,610 0.005,611 0.01,612 0.007,613 0.378,614 0.5,615 0.88,616 0.454,617 137.147,618 0.03,619 -0.047,620 0.055,621 0.01,622 -0.026,623 0.029,624 -0.107,625 0.156,626 -0.032,627 0.062,628 -0.025,629 0.032,630 0.027,631 -0.318,632 -0.173,633 -0.291,634 0.012,635 -0.253,636 -0.043,637 0.066,638 0.063,639 0.08,640 -0.012,641 0.079,642 -0.074,643 -0.056,644 -0.103,645 -0.088,646 -0.016,647 -0.095,648 -0.031,649 0.023,650 0.012,651 0.028,652 -0.018,653 0.023,654 -0.005,655 0.104,656 0.091,657 0.115,658 -0.001,659 0.11,660 0.023,661 -0.218,662 -0.126,663 -0.196,664 -0.052,665 -0.176,666 1.503,667 5.512,668 0.778,669 27.931,670 0.983,671 1.105,672 4.924,673 24.243,674 0.697,675 3.434,676 3.738,677 3.989,678 4.248,679 4.431,680 4.394,681 4.533,682 4.635,683 4.625,684 4.736,685 7.447,686 0.651,687 353.49,688 3.434,689 4.963,690 5.802,691 6.668,692 7.522,693 8.394,694 9.255,695 10.13,696 10.997,697 11.874,698 2,701 1,715 13,720 5,722 18,727 1,741 50,743 20,744 3,745 30,747 53,748 25,749 18,750 5,751 13,752 3,756 4,757 5,767 1,770 1,772 21,773 4,777 2,782 1,784 1,786 2,793 23,794 2,796 2,802 1,808 0.75,809 1,828 1,829 3,832 1,849 1,850 1,855 1,859 3,864 1,868 27,876 3,881 1,893 2,896 1,901 13.167,902 9.283,903 5.917,904 2.963,907 3.859,908 1.513,909 1.016,910 4.999,911 11.375,912 3.738,913 4.311,914 4.866,915 5.402,916 5.919,917 6.012,918 6.407,919 6.797,920 7.079,921 7.468,922 1,923 39,924 9.993,926 4.217,927 0.026,929 7.543,931 19.563,933 16.255,936 2.043,937 55.167,941 270.735,942 172.057,943 3.124,945 25.145,948 172.057,949 295.88,950 3.124,951 8.396,952 6.746,953 132.667,954 30.278,955 22.238,957 270.735,959 270.735,960 175.181,961 25.145,964 270.735,965 25.145,968 9.87,969 155.835,970 9.476,972 270.735,973 28.269,974 172.057,977 270.735,978 30.993,979 144.188,981 25.145,982 270.735,983 28.269,984 172.057,986 0.576,987 0.331,988 0.183,989 0.098,990 20,991 8,992 0.094,993 5,994 1,995 1.095,996 4.094,997 222.556,998 0.095,999 21,1000 120.382,1005 17.453,1006 7.734,1007 4.073,1009 28.269,1010 26.919,1015 5.661,1018 471.061,1019 41,1024 12.512,1026 2.028,1028 1.044,1031 49.149,1032 55.275,1034 0.22,1035 0.509,1036 0.664,1037 0.796,1038 0.874,1039 0.891,1040 4.952,1041 1.391,1042 5.765,1043 4.848,1044 4.419,1045 4.997,1046 1.379,1047 6.535,1048 4.41,1049 6.144,1050 1.351,1051 7.292,1052 2.998,1053 3.892,1054 4.59,1055 0.325,1056 7.318,1057 3.883,1058 7.429,1059 1,1060 8.918,1061 2.965,1062 5.969,1063 7.123,1064 1.058,1065 10.427,1066 5.957,1067 8.748,1068 1,1069 10.603,1070 2.275,1071 6.275,1072 7.523,1073 0.504,1074 12.09,1075 6.278,1076 10.099,1077 0.78,1078 12.328,1079 2.136,1080 7.8,1081 9.509,1082 0.878,1083 14.705,1084 7.8,1085 11.474,1086 0.264,1087 14.082,1088 1.89,1089 8.52,1090 10.323,1091 0.585,1092 16.766,1093 8.543,1094 12.868,1095 -0.082,1096 15.86,1097 0.679,1098 9.808,1099 12.04,1100 0.778,1101 19.216,1102 9.832,1103 3.172,1104 -0.297,1105 17.656,1106 -0.219,1107 10.739,1108 13.088,1109 0.622,1110 21.457,1111 10.788,1112 2.729,1113 10.754,1114 19.467,1115 -0.698,1116 11.927,1117 14.658,1118 0.724,1119 23.853,1120 11.984,1121 2.573,1122 7.8,1123 21.292,1124 4.089,1125 12.964,1126 15.844,1127 0.639,1128 26.171,1129 13.044,1130 2.333,1131 7.466,1132 23.129,1133 3.679,1134 14.114,1135 17.333,1136 0.693,1137 28.551,1138 14.207,1139 2.078,1140 6.928,1141 24.975,1142 3.454,1143 15.203,1144 18.603,1145 0.646,1146 30.901,1147 15.318,1148 1.857,1149 6.121,1150 26.83,1151 3.123,1152 16.343,1153 20.046,1154 0.674,1155 33.277,1156 16.473,1157 1.666,1158 5.054,1159 28.691,1160 2.692,1161 17.459,1162 21.367,1163 0.648,1164 35.641,1165 17.609,1166 9850,1167 14672,1168 20.572,1169 34.836,1170 45.133,1171 45.611,1172 45.297,1173 44.426,1174 44.388,1175 59.532,1176 4.067,1177 123.825,1178 44.187,1179 5.371,1180 5.7,1181 6.488,1182 5.194,1183 5.172,1184 7.089,1185 1.754,1186 17.795,1187 5.214,1188 9.411,1189 1.504,1190 1.52,1191 1.51,1192 1.481,1193 1.48,1194 1.984,1195 0.136,1196 4.127,1197 1.473,1198 4.059,1199 4.08,1200 4.009,1201 4.005,1202 7.427,1203 4.003,1204 3.936,1205 3.97,1206 3.866,1207 3.869,1208 4.796,1209 3.864,1210 3.874,1211 3.902,1212 3.806,1213 3.826,1214 4.739,1215 3.817,1216 3.547,1217 3.611,1218 3.445,1219 3.426,1220 4.69,1221 3.424,1222 3.424,1223 3.473,1224 3.312,1225 3.262,1226 4.228,1227 3.265,1228 3.029,1229 3.084,1230 2.924,1231 2.924,1232 4.079,1233 2.912,1234 2.986,1235 3.047,1236 2.851,1237 2.845,1238 3.676,1239 2.841,1240 2.952,1241 3.028,1242 2.738,1243 2.786,1244 3.674,1245 2.762,1246 0.15,1247 0.123,1248 0.223,1249 0.14,1250 0.106,1251 4.509,1252 0.136,1253 3.7,1254 0.033,1255 6.686,1256 0.358,1257 4.186,1258 0.107,1259 3.172,1260 4.089,1261 0.995,1262 10.754,1263 3.214,1264 1.956,1265 1.93,1266 2.073,1267 2.047,1268 1.241,1269 2.058,1270 1.902,1271 1.874,1272 2.026,1273 1.978,1274 1.164,1275 1.996,1276 1.891,1277 1.869,1278 2,1279 1.961,1280 1.124,1281 1.975,1282 1.594,1283 1.562,1284 1.766,1285 1.751,1286 0.938,1287 1.759,1288 1.43,1289 1.359,1290 1.657,1291 1.624,1292 0.802,1293 1.635,1294 1.048,1295 1.001,1296 1.37,1297 1.224,1298 0.536,1299 1.28,1300 1.024,1301 0.979,1302 1.322,1303 1.217,1304 0.494,1305 1.251,1306 0.984,1307 0.897,1308 1.214,1309 1.197,1310 0.319,1311 1.205,1312 4.111,1314 5.416,1315 2.398,1316 6.911,1317 4.844,1318 8.487,1319 7.018,1320 10.104,1322 2.136,1328 2.562,1333 2.305,1340 32.531,1341 62.054,1342 143.5,1343 187.358,1344 224.709,1345 246.683,1346 251.438,1347 38.383,1348 7.516,1349 20.31,1350 20.31,1351 23,1352 12.414,1353 4.392,1354 3.585,1355 40.597,1356 124,1357 110,1358 0.16,1359 199.595,1360 349.67,1361 478.771,1362 20736,1364 18.64,1365 0.69,1366 0.576,1367 18.64,1368 15.56,1369 13.187,1370 0.44,1371 0.311,1372 9.285,1373 13.016,1374 8.972,1375 7.497,1376 13.187,1377 9.335,1378 11.766,1379 0.287,1380 0.176,1381 11.766,1382 7.232,1383 9.791,1384 0.185,1385 0.094,1386 9.791,1387 5.003,1388 8.273,1389 0.12,1390 0.053,1391 8.273,1392 3.654,1393 6.623,1394 0.08,1395 0.029,1396 6.623,1397 2.439,1398 0.26,1399 80.394,1400 0.22,1401 26.617,1402 0.415,1403 142,1404 327.381,1405 145.852,1406 332.251,1407 460.16,1408 312,1409 165,1410 335.397,1411 169.823,1412 352.728,1413 510.06,1414 330,1415 4.932}
{0 CHEMBL597794,1 1.293,2 14.433,3 5.904,4 34.854,5 124.092,6 6.975,7 0.545,8 4.109,9 4.221,10 3.631,11 3.726,12 5.16,13 3.677,14 4.641,15 4.814,16 3.95,17 4.114,18 5.611,19 4.044,20 4.872,21 5.053,22 4.027,23 4.276,24 5.843,25 4.17,26 5.024,27 5.269,28 3.925,29 4.244,30 5.933,31 4.108,32 4.927,33 5.157,34 3.846,35 4.183,36 5.857,37 4.048,38 4.907,39 5.155,40 3.746,41 4.136,42 5.821,43 3.977,44 4.797,45 5.067,46 3.617,47 4.017,48 5.636,49 3.855,50 4.582,51 4.817,52 3.488,53 3.862,54 5.475,55 3.715,56 0.041,57 0.714,58 12.05,59 5.606,60 8.851,61 7.44,62 0.173,63 1.214,64 22.142,65 9.158,66 18.535,67 12.297,68 0.139,69 1.492,70 27.861,71 12.29,72 25.953,73 16.586,74 0.265,75 1.718,76 34.669,77 13.911,78 45.146,79 19.147,80 0.249,81 1.551,82 31.145,83 12.682,84 42.844,85 17.258,86 0.314,87 1.499,88 30.798,89 12.908,90 48.499,91 17.817,92 0.171,93 1.352,94 27.7,95 11.717,96 33.393,97 16.427,98 0.15,99 1.092,100 21.864,101 9.279,102 29.011,103 12.736,104 11,105 45,106 0.21,107 0.506,108 0.692,109 0.803,110 0.836,111 0.841,112 3.44,113 0.942,114 -5.99,115 -5.84,116 -5.44,121 47.4,123 2,126 2,127 2,137 1,138 1,144 12,145 5,146 1,159 1,176 21,180 6,187 25,192 10,200 20,206 10,214 14,219 5,227 16,231 1,232 4,239 19,244 3,251 20,256 2,264 15,268 1,269 4,277 9,281 1536,282 20.541,283 20.541,284 20.541,285 20.541,286 20.541,287 18.106,288 20.799,289 12.219,290 20.794,291 16.249,292 16.249,293 16.249,294 16.249,295 16.249,296 12.479,297 24.995,298 5.785,299 16.537,300 4.54,301 2.723,302 1.58,303 0.895,304 0.693,305 0.658,306 4.139,312 1,313 941,314 3.317,318 391.856,322 150.064,325 2.3,326 18.339,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 62.5,338 433,339 4.478,340 3.66,341 6.638,342 4.145,343 3.133,344 4.085,345 0.995,346 10.563,347 3.17,348 4.105,349 3.042,350 5.787,351 3.72,352 2.738,353 3.708,354 0.86,355 8.044,356 2.697,357 3.94,358 2.93,359 5.591,360 3.593,361 2.611,362 3.455,363 0.359,364 7.669,365 2.562,366 3.871,367 2.721,368 5.411,369 3.472,370 2.484,371 3.317,373 7.132,374 2.454,375 3.578,376 2.496,377 5.249,378 3.237,379 2.263,380 2.884,382 6.632,383 2.201,384 3.338,385 2.483,386 5.096,387 2.987,388 2.024,389 2.553,391 6.031,392 1.938,393 3.117,394 2.193,395 4.672,396 2.823,397 1.845,398 2.248,400 4.974,401 1.796,402 3.016,403 1.97,404 4.595,405 2.719,406 1.718,407 2.143,409 4.728,410 1.714,411 2.775,412 1.513,413 3.631,414 2.377,415 1.387,416 1.854,418 2.993,419 1.371,420 2.501,421 1.486,422 3.569,423 2,424 1,425 1.5,427 2.349,428 1,429 2.5,430 1.066,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.5,439 1,440 3.247,441 1.998,442 0.981,443 1.376,445 2.136,446 0.991,447 1.859,448 1,449 3.17,450 1.505,451 0.533,452 0.64,454 1.225,455 0.507,456 1.64,457 0.703,458 2.888,459 1.33,460 0.411,461 0.499,463 0.697,464 0.378,465 1.35,466 0.445,467 2.827,468 1.074,469 0.075,470 0.091,472 0.19,473 0.074,474 14.567,475 0.486,476 0.639,477 0.021,478 39.5,479 1.317,480 21.5,481 0.717,482 18,483 0.6,484 23.816,485 0.794,486 31.033,487 0.544,488 29.567,489 0.986,490 8.071,491 0.269,492 6.547,493 0.218,494 0.092,496 0.302,501 0.711,502 1.136,503 0.836,504 1.03,505 0.591,506 0.956,507 1.174,508 0.868,509 0.955,510 0.847,511 0.693,512 0.865,513 0.852,514 1.249,515 1.073,516 1.218,517 0.839,518 1.175,519 1.075,520 1.023,521 0.998,522 0.993,523 1.296,524 0.987,525 1.178,526 1.025,527 1.087,528 1.035,529 1.333,530 1.048,531 0.762,532 0.985,533 1.001,534 1.021,535 0.914,536 1.033,537 0.603,538 0.876,539 0.847,540 0.901,541 0.816,542 0.898,543 0.894,544 1.042,545 1.035,546 1.043,547 1.174,548 1.054,549 6,550 0.103,551 2.667,552 1.875,553 1.831,554 0.764,555 0.706,556 0.241,557 0.229,558 0.211,559 13879,560 31264,561 2.107,562 47.4,563 4,564 23,572 1.721,573 2,574 3.777,575 -0.891,582 73.711,583 1.293,584 3.11,585 4.253,586 4.938,587 5.14,588 5.175,589 3.289,590 4.374,591 4.875,592 3.956,593 1720.77,594 8.465,595 25292.8,600 332.475,601 1.295,602 4.851,603 0.182,604 0.005,605 0.059,606 0.041,607 0.046,608 0.021,609 0.021,610 0.008,611 0.009,612 0.009,613 0.4,614 0.5,615 0.88,616 0.659,617 158.185,618 0.027,619 -0.076,620 0.059,621 -0.019,622 -0.014,623 0.015,624 -0.126,625 0.202,627 0.129,628 -0.015,629 0.089,630 -0.012,631 -0.247,632 -0.135,633 -0.221,634 0.01,635 -0.196,636 -0.037,637 -0.031,638 -0.004,639 -0.022,640 -0.045,641 -0.011,642 -0.095,643 -0.035,644 -0.099,645 -0.058,646 -0.094,647 -0.075,648 0.123,649 -0.028,650 -0.021,651 -0.031,652 0.083,653 -0.038,654 0.044,655 0.078,656 0.125,657 0.094,658 0.061,659 0.114,660 -0.054,661 -0.074,662 -0.068,663 -0.051,664 -0.128,665 -0.061,666 1.537,667 5.891,668 0.733,669 35.707,670 0.987,671 1.111,672 4.762,673 22.672,674 0.681,675 3.526,676 3.829,677 4.078,678 4.317,679 4.554,680 4.564,681 4.691,682 4.787,683 4.875,684 4.905,685 8.151,686 0.637,687 397.55,688 3.526,689 5.056,690 5.894,691 6.758,692 7.61,693 8.479,694 9.338,695 10.209,696 11.073,697 11.946,698 1.8,701 1,715 12,720 6,722 18,727 1,739 1,741 57,743 20,744 3,745 33,747 60,748 27,749 18,750 6,751 12,752 3,756 4,757 5,767 2,770 2,772 21,773 6,777 2,782 1,784 1,786 2,793 27,794 3,796 3,802 1,808 0.75,809 2,829 4,833 1,849 1,850 1,855 1,859 3,864 2,868 30,876 4,878 1,881 1,893 3.5,896 1,898 1,901 15,902 10.867,903 6.667,904 3.365,907 3.854,908 1.495,909 0.994,910 6.227,911 11.641,912 3.807,913 4.376,914 4.929,915 5.448,916 5.978,917 6.116,918 6.465,919 6.788,920 7.125,921 7.465,922 0.9,923 46,924 11.107,926 4.641,927 0.026,929 7.561,931 21.689,933 17.809,936 2.061,937 61.833,941 317.82,942 181.241,943 3.124,945 36.145,948 181.241,949 353.965,950 3.124,951 19.279,952 9.28,953 123.191,954 30.278,955 38.481,957 317.82,959 317.82,960 184.366,961 36.145,964 317.82,965 36.145,968 12.405,969 162.485,970 9.476,972 317.82,973 39.269,974 181.241,977 317.82,978 38.771,979 145.595,981 36.145,982 317.82,983 39.269,984 181.241,986 0.575,987 0.334,988 0.179,989 0.099,990 21,991 9,992 0.1,993 6,994 1,995 1.091,996 4.308,997 256.48,998 0.091,999 22,1000 139.207,1005 20.28,1006 9.212,1007 4.959,1009 39.269,1010 24.747,1015 6.338,1018 538.33,1019 44,1024 12.891,1026 2.035,1028 1.007,1031 56.243,1032 63.315,1034 0.222,1035 0.533,1036 0.729,1037 0.847,1038 0.881,1039 0.887,1040 5.027,1041 1.718,1042 5.861,1043 4.974,1044 4.511,1045 5.063,1046 1.51,1047 6.629,1048 4.486,1049 6.218,1050 1.387,1051 7.391,1052 4.728,1053 4.007,1054 4.718,1055 0.325,1056 7.42,1057 3.977,1058 7.507,1059 1,1060 9.016,1061 2.993,1062 6.066,1063 7.195,1064 1.266,1065 10.502,1066 6.029,1067 8.829,1068 1,1069 10.698,1070 2.349,1071 6.365,1072 7.639,1073 0.504,1074 12.119,1075 6.336,1076 10.18,1077 0.981,1078 12.417,1079 2.275,1080 7.877,1081 9.579,1082 1.104,1083 14.723,1084 7.844,1085 11.552,1086 0.533,1087 14.163,1088 2.136,1089 8.569,1090 10.415,1091 0.585,1092 16.724,1093 8.555,1094 12.941,1095 0.411,1096 15.93,1097 1.225,1098 9.846,1099 12.103,1100 0.988,1101 19.164,1102 9.833,1103 3.133,1104 0.075,1105 17.714,1106 0.697,1107 10.744,1108 13.159,1109 0.622,1110 21.35,1111 10.754,1112 2.738,1113 10.563,1114 19.512,1115 0.19,1116 11.919,1117 14.711,1118 0.901,1119 23.733,1120 11.936,1121 2.611,1122 8.044,1123 21.323,1124 4.085,1125 12.926,1126 15.899,1127 0.639,1128 26.008,1129 12.965,1130 2.484,1131 7.669,1132 23.144,1133 3.708,1134 14.06,1135 17.376,1136 0.836,1137 28.372,1138 14.112,1139 2.263,1140 7.132,1141 24.975,1142 3.455,1143 15.124,1144 18.644,1145 0.646,1146 30.69,1147 15.196,1148 2.024,1149 6.632,1150 26.815,1151 3.317,1152 16.246,1153 20.08,1154 0.787,1155 33.047,1156 16.333,1157 1.845,1158 6.031,1159 28.662,1160 2.884,1161 17.339,1162 21.397,1163 0.648,1164 35.385,1165 17.446,1166 13069,1167 19742,1168 22.364,1169 38.813,1170 49.135,1171 50.104,1172 49.754,1173 48.41,1174 48.407,1175 63.703,1176 4.427,1177 135.275,1178 47.707,1179 5.423,1180 5.66,1181 6.44,1182 5.148,1183 5.133,1184 7.085,1185 1.855,1186 17.805,1187 5.17,1188 12.724,1189 1.489,1190 1.518,1191 1.508,1192 1.467,1193 1.467,1194 1.93,1195 0.134,1196 4.099,1197 1.446,1198 4.052,1199 4.074,1200 4,1201 3.991,1202 7.427,1203 3.99,1204 3.937,1205 3.969,1206 3.87,1207 3.869,1208 4.853,1209 3.865,1210 3.88,1211 3.907,1212 3.812,1213 3.83,1214 4.771,1215 3.822,1216 3.596,1217 3.64,1218 3.513,1219 3.482,1220 4.728,1221 3.483,1222 3.474,1223 3.539,1224 3.345,1225 3.283,1226 4.372,1227 3.287,1228 3.218,1229 3.285,1230 3.053,1231 3.042,1232 4.215,1233 3.031,1234 3.176,1235 3.226,1236 3.038,1237 2.977,1238 4.068,1239 2.987,1240 2.999,1241 3.06,1242 2.856,1243 2.852,1244 3.761,1245 2.841,1246 0.136,1247 0.111,1248 0.201,1249 0.126,1250 0.095,1251 4.478,1252 0.124,1253 3.66,1254 0.03,1255 6.638,1256 0.32,1257 4.145,1258 0.096,1259 3.133,1260 4.085,1261 0.995,1262 10.563,1263 3.17,1264 2.012,1265 1.994,1266 2.111,1267 2.091,1268 1.337,1269 2.098,1270 1.93,1271 1.901,1272 2.055,1273 2.029,1274 1.227,1275 2.04,1276 1.889,1277 1.864,1278 2.006,1279 1.963,1280 1.124,1281 1.979,1282 1.575,1283 1.538,1284 1.762,1285 1.743,1286 0.918,1287 1.752,1288 1.447,1289 1.374,1290 1.697,1291 1.661,1292 0.839,1293 1.674,1294 1.181,1295 1.123,1296 1.551,1297 1.465,1298 0.6,1299 1.496,1300 1.174,1301 1.11,1302 1.421,1303 1.35,1304 0.57,1305 1.371,1306 1.011,1307 0.947,1308 1.36,1309 1.222,1310 0.501,1311 1.276,1312 4.205,1314 5.509,1316 7.013,1318 8.606,1320 10.245,1322 3.789,1328 3.443,1330 5.28,1333 2.304,1340 36.299,1341 73.711,1342 177.292,1343 242.436,1344 281.455,1345 292.965,1346 294.965,1347 47.312,1348 7.787,1349 29.54,1350 29.54,1351 24,1352 12.489,1353 4.392,1354 3.585,1355 47.491,1356 148,1357 140,1358 0.155,1359 222.776,1360 393.06,1361 535.332,1362 29170,1364 20.924,1365 0.697,1366 0.587,1367 20.924,1368 17.598,1369 14.619,1370 0.443,1371 0.314,1372 10.266,1373 14.291,1374 9.901,1375 8.279,1376 14.619,1377 10.358,1378 12.911,1379 0.287,1380 0.176,1381 12.911,1382 7.921,1383 10.853,1384 0.187,1385 0.096,1386 10.853,1387 5.581,1388 8.941,1389 0.121,1390 0.054,1391 8.941,1392 4.002,1393 7.327,1394 0.078,1395 0.03,1396 7.327,1397 2.823,1398 0.253,1399 90.101,1400 0.211,1401 29.119,1402 0.399,1403 156,1404 387.116,1405 162.731,1406 382.604,1407 526.21,1408 360,1409 181,1410 379.942,1411 188.481,1412 397.086,1413 572.64,1414 370,1415 6.959}
{0 CHEMBL597795,1 1.293,2 13.867,3 5.904,4 34.854,5 124.092,6 6.975,7 0.545,8 4.109,9 4.221,10 3.631,11 3.726,12 5.16,13 3.677,14 4.641,15 4.814,16 3.95,17 4.114,18 5.611,19 4.044,20 4.872,21 5.053,22 4.027,23 4.276,24 5.843,25 4.17,26 5.024,27 5.269,28 3.925,29 4.244,30 5.93,31 4.108,32 4.925,33 5.157,34 3.876,35 4.182,36 5.898,37 4.049,38 4.902,39 5.148,40 3.764,41 4.132,42 5.812,43 3.983,44 4.79,45 5.038,46 3.624,47 4.022,48 5.674,49 3.871,50 4.602,51 4.84,52 3.527,53 3.899,54 5.443,55 3.747,56 0.041,57 0.714,58 12.05,59 5.606,60 8.851,61 7.44,62 0.173,63 1.214,64 22.142,65 9.158,66 18.535,67 12.297,68 0.139,69 1.492,70 27.861,71 12.29,72 25.936,73 16.586,74 0.265,75 1.718,76 34.669,77 13.911,78 43.773,79 19.147,80 0.323,81 1.55,82 31.083,83 12.71,84 50.53,85 17.456,86 0.221,87 1.488,88 30.612,89 12.782,90 43.06,91 17.49,92 0.24,93 1.326,94 27.58,95 11.343,96 40.193,97 15.451,98 0.099,99 1.128,100 21.974,101 9.648,102 21.07,103 13.466,104 11,105 45,106 0.21,107 0.506,108 0.689,109 0.8,110 0.836,111 0.841,112 3.44,113 0.942,114 -5.99,115 -5.84,116 -5.44,121 47.4,123 2,126 2,127 2,137 1,138 1,144 12,145 5,146 1,159 1,176 21,180 6,187 25,192 10,200 21,206 8,214 13,218 1,219 7,227 15,232 5,239 19,244 3,251 19,256 3,264 15,268 1,269 4,277 10,281 1524,282 20.541,283 20.541,284 20.541,285 20.541,286 20.541,287 18.106,288 20.799,289 12.221,290 20.794,291 16.249,292 16.249,293 16.249,294 16.249,295 16.249,296 12.479,297 23.687,298 5.79,299 16.537,300 4.54,301 2.723,302 1.595,303 0.91,304 0.693,305 0.658,306 4.139,312 1,313 905,314 3.317,318 391.492,322 150.064,325 2.227,326 18.436,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 62.5,338 416,339 4.482,340 3.662,341 6.644,342 4.149,343 3.137,344 4.091,345 0.995,346 10.592,347 3.173,348 4.103,349 3.042,350 5.772,351 3.719,352 2.737,353 3.706,354 0.86,355 7.997,356 2.696,357 3.936,358 2.896,359 5.587,360 3.588,361 2.605,362 3.455,363 0.359,364 7.649,365 2.559,366 3.854,367 2.72,368 5.398,369 3.452,370 2.464,371 3.287,373 7.085,374 2.437,375 3.564,376 2.568,377 5.225,378 3.222,379 2.255,380 2.869,382 6.554,383 2.18,384 3.398,385 2.478,386 5.145,387 3.061,388 2.084,389 2.638,391 6.231,392 2.022,393 3.133,394 2.187,395 4.69,396 2.837,397 1.865,398 2.258,400 4.992,401 1.803,402 3,403 1.963,404 4.595,405 2.676,406 1.675,407 2.117,409 4.703,410 1.671,411 2.773,412 1.49,413 3.589,414 2.377,415 1.387,416 1.851,418 2.992,419 1.371,420 2.5,421 1.393,422 3.567,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1.155,431 3.414,432 2,433 1,434 1.5,436 2.23,437 1,438 2.416,439 1,440 3.247,441 1.946,442 0.937,443 1.277,445 2.136,446 0.941,447 1.967,448 1,449 3.204,450 1.559,451 0.581,452 0.745,454 1.298,455 0.554,456 1.608,457 0.729,458 2.904,459 1.339,460 0.411,461 0.482,463 0.755,464 0.382,465 1.338,466 0.457,467 2.807,468 1.064,469 0.073,470 0.088,472 0.18,473 0.072,474 14.567,475 0.486,476 0.639,477 0.021,478 39.5,479 1.317,480 21.5,481 0.717,482 18,483 0.6,484 23.873,485 0.796,486 31.033,487 0.544,488 29.678,489 0.989,490 8.071,491 0.269,492 6.547,493 0.218,494 0.092,496 0.302,501 0.711,502 1.136,503 0.836,504 1.03,505 0.591,506 0.956,507 1.174,508 0.868,509 0.955,510 0.847,511 0.693,512 0.865,513 0.852,514 1.249,515 1.073,516 1.218,517 0.839,518 1.175,519 1.075,520 1.023,521 0.998,522 0.993,523 1.311,524 0.987,525 0.901,526 1.025,527 1.015,528 1.034,529 1.156,530 1.032,531 0.991,532 0.979,533 0.996,534 1.008,535 1.134,536 1.006,537 1.173,538 0.881,539 1.031,540 0.911,541 1.364,542 0.955,543 0.47,544 1.123,545 0.964,546 1.125,547 0.474,548 1.097,549 6,550 0.132,551 2.667,552 1.75,553 1.831,554 0.875,555 0.624,556 0.28,557 0.229,558 0.181,559 13719,560 30768,561 2.107,562 47.4,563 4,564 23,572 1.722,573 2,574 3.733,575 -0.891,582 73.711,583 1.293,584 3.11,585 4.238,586 4.923,587 5.14,588 5.175,589 3.244,590 4.415,591 4.877,592 3.92,593 1705.38,594 8.471,595 25005.4,600 332.475,601 1.295,602 4.851,603 0.182,604 0.006,605 0.059,606 0.038,607 0.046,608 0.023,609 0.018,610 0.009,611 0.008,612 0.008,613 0.398,614 0.5,615 0.88,616 0.659,617 157.849,618 0.027,619 -0.076,620 0.059,621 -0.019,622 -0.014,623 0.015,624 -0.126,625 0.202,627 0.129,628 -0.015,629 0.089,630 -0.012,631 -0.247,632 -0.135,633 -0.221,634 0.009,635 -0.196,636 -0.037,637 -0.031,638 -0.004,639 -0.022,640 -0.06,641 -0.011,642 0.115,643 -0.035,644 -0.031,645 -0.056,646 0.071,647 -0.054,648 -0.031,649 -0.022,650 -0.011,651 -0.019,652 -0.005,653 -0.014,654 -0.12,655 0.077,656 -0.038,657 0.076,658 -0.131,659 0.033,660 0.059,661 -0.153,662 -0.022,663 -0.126,664 0.017,665 -0.089,666 1.554,667 5.945,668 0.733,669 34.427,670 0.987,671 1.111,672 4.762,673 22.672,674 0.681,675 3.526,676 3.829,677 4.078,678 4.317,679 4.564,680 4.564,681 4.673,682 4.787,683 4.883,684 4.905,685 8.025,686 0.637,687 397.55,688 3.526,689 5.056,690 5.894,691 6.758,692 7.611,693 8.479,694 9.34,695 10.211,696 11.075,697 11.949,698 1.8,701 1,715 12,720 6,722 18,727 1,739 1,741 57,743 20,744 3,745 33,747 60,748 27,749 18,750 6,751 12,752 3,756 4,757 5,767 2,770 2,772 21,773 6,777 2,782 1,784 1,786 2,793 27,794 3,796 3,802 1,808 0.75,809 2,829 4,833 1,849 1,850 1,855 1,859 3,864 2,868 30,876 4,878 1,881 1,893 3.5,896 1,898 1,901 15,902 10.867,903 6.667,904 3.365,907 3.854,908 1.495,909 0.994,910 6.227,911 11.641,912 3.807,913 4.376,914 4.929,915 5.448,916 5.989,917 6.106,918 6.445,919 6.8,920 7.131,921 7.461,922 1,923 46,924 11.109,926 4.643,927 0.026,929 7.561,931 21.689,933 17.809,936 2.061,937 61.833,941 317.82,942 181.241,943 3.124,945 36.145,948 181.241,949 353.965,950 3.124,951 19.279,952 9.28,953 123.191,954 30.278,955 38.481,957 317.82,959 317.82,960 184.366,961 36.145,964 317.82,965 36.145,968 12.405,969 162.485,970 9.476,972 317.82,973 39.269,974 181.241,977 317.82,978 38.771,979 145.595,981 36.145,982 317.82,983 39.269,984 181.241,986 0.575,987 0.334,988 0.179,989 0.101,990 21,991 9,992 0.1,993 6,994 1,995 1.091,996 4.294,997 257.234,998 0.091,999 22,1000 139.207,1005 20.28,1006 9.212,1007 4.959,1009 39.269,1010 24.8,1015 6.252,1018 538.33,1019 44,1024 12.945,1026 2.03,1028 0.978,1031 56.243,1032 63.315,1034 0.222,1035 0.533,1036 0.727,1037 0.844,1038 0.881,1039 0.887,1040 5.027,1041 1.675,1042 5.861,1043 4.992,1044 4.511,1045 5.063,1046 1.51,1047 6.629,1048 4.486,1049 6.218,1050 1.387,1051 7.391,1052 4.703,1053 4.007,1054 4.718,1055 0.325,1056 7.42,1057 3.977,1058 7.507,1059 1,1060 9.016,1061 2.992,1062 6.066,1063 7.195,1064 1.266,1065 10.503,1066 6.029,1067 8.829,1068 1,1069 10.698,1070 2.275,1071 6.365,1072 7.639,1073 0.504,1074 12.121,1075 6.336,1076 10.18,1077 0.937,1078 12.417,1079 2.23,1080 7.877,1081 9.579,1082 1.104,1083 14.728,1084 7.844,1085 11.552,1086 0.581,1087 14.163,1088 2.136,1089 8.569,1090 10.415,1091 0.585,1092 16.731,1093 8.555,1094 12.941,1095 0.411,1096 15.93,1097 1.298,1098 9.846,1099 12.103,1100 0.988,1101 19.174,1102 9.834,1103 3.137,1104 0.073,1105 17.714,1106 0.755,1107 10.746,1108 13.161,1109 0.622,1110 21.366,1111 10.755,1112 2.737,1113 10.592,1114 19.513,1115 0.18,1116 11.921,1117 14.713,1118 0.901,1119 23.751,1120 11.938,1121 2.605,1122 7.997,1123 21.324,1124 4.091,1125 12.929,1126 15.903,1127 0.639,1128 26.032,1129 12.969,1130 2.464,1131 7.649,1132 23.146,1133 3.706,1134 14.065,1135 17.381,1136 0.836,1137 28.398,1138 14.116,1139 2.255,1140 7.085,1141 24.979,1142 3.455,1143 15.13,1144 18.652,1145 0.646,1146 30.721,1147 15.202,1148 2.084,1149 6.554,1150 26.819,1151 3.287,1152 16.254,1153 20.089,1154 0.787,1155 33.081,1156 16.34,1157 1.865,1158 6.231,1159 28.667,1160 2.869,1161 17.349,1162 21.409,1163 0.648,1164 35.423,1165 17.455,1166 12917,1167 19474,1168 22.364,1169 38.813,1170 49.145,1171 50.171,1172 49.76,1173 48.43,1174 48.42,1175 63.728,1176 4.427,1177 135.336,1178 47.722,1179 5.427,1180 5.662,1181 6.446,1182 5.152,1183 5.137,1184 7.091,1185 1.855,1186 17.816,1187 5.173,1188 12.644,1189 1.489,1190 1.52,1191 1.508,1192 1.468,1193 1.467,1194 1.931,1195 0.134,1196 4.101,1197 1.446,1198 4.052,1199 4.074,1200 4,1201 3.991,1202 7.427,1203 3.99,1204 3.937,1205 3.969,1206 3.87,1207 3.869,1208 4.852,1209 3.865,1210 3.88,1211 3.907,1212 3.812,1213 3.83,1214 4.771,1215 3.822,1216 3.595,1217 3.64,1218 3.511,1219 3.482,1220 4.728,1221 3.482,1222 3.474,1223 3.54,1224 3.345,1225 3.283,1226 4.381,1227 3.287,1228 3.239,1229 3.297,1230 3.099,1231 3.061,1232 4.217,1233 3.059,1234 3.136,1235 3.197,1236 2.981,1237 2.913,1238 4.065,1239 2.919,1240 3.021,1241 3.07,1242 2.873,1243 2.888,1244 3.682,1245 2.876,1246 0.136,1247 0.111,1248 0.201,1249 0.126,1250 0.095,1251 4.482,1252 0.124,1253 3.662,1254 0.03,1255 6.644,1256 0.321,1257 4.149,1258 0.096,1259 3.137,1260 4.091,1261 0.995,1262 10.592,1263 3.173,1264 2.012,1265 1.994,1266 2.111,1267 2.091,1268 1.337,1269 2.098,1270 1.93,1271 1.901,1272 2.055,1273 2.029,1274 1.227,1275 2.04,1276 1.889,1277 1.864,1278 2.006,1279 1.963,1280 1.124,1281 1.979,1282 1.575,1283 1.538,1284 1.761,1285 1.742,1286 0.918,1287 1.751,1288 1.447,1289 1.374,1290 1.697,1291 1.662,1292 0.839,1293 1.676,1294 1.21,1295 1.155,1296 1.549,1297 1.465,1298 0.603,1299 1.494,1300 1.121,1301 1.046,1302 1.412,1303 1.339,1304 0.563,1305 1.36,1306 1.021,1307 0.973,1308 1.359,1309 1.223,1310 0.5,1311 1.276,1312 4.205,1314 5.509,1316 7.013,1318 8.606,1320 10.246,1322 3.764,1328 3.473,1330 5.289,1333 2.303,1340 36.299,1341 73.711,1342 177.292,1343 241.581,1344 280.6,1345 292.965,1346 294.965,1347 47.468,1348 7.787,1349 29.54,1350 29.54,1351 24,1352 12.491,1353 4.392,1354 3.585,1355 47.447,1356 146,1357 140,1358 0.157,1359 222.776,1360 393.06,1361 535.332,1362 29170,1364 20.924,1365 0.697,1366 0.587,1367 20.924,1368 17.598,1369 14.619,1370 0.443,1371 0.314,1372 10.266,1373 14.291,1374 9.901,1375 8.279,1376 14.619,1377 10.358,1378 12.911,1379 0.287,1380 0.176,1381 12.911,1382 7.921,1383 10.86,1384 0.187,1385 0.096,1386 10.86,1387 5.585,1388 8.894,1389 0.12,1390 0.054,1391 8.894,1392 3.989,1393 7.404,1394 0.078,1395 0.03,1396 7.404,1397 2.819,1398 0.255,1399 90.101,1400 0.211,1401 29.045,1402 0.406,1403 156,1404 387.116,1405 162.731,1406 382.604,1407 526.21,1408 360,1409 181,1410 379.942,1411 188.481,1412 397.087,1413 572.66,1414 370,1415 5.269}
{0 CHEMBL59782,1 1.307,2 10.217,3 6.707,4 44.984,5 99.713,6 6.619,7 0.44,8 3.961,9 4.099,10 3.431,11 3.552,12 4.826,13 3.471,14 4.559,15 4.767,16 3.772,17 3.968,18 5.352,19 3.844,20 4.87,21 5.143,22 3.853,23 4.098,24 5.6,25 3.944,26 4.825,27 5.094,28 3.799,29 4.04,30 5.585,31 3.888,32 4.787,33 5.051,34 3.701,35 4.033,36 5.492,37 3.867,38 4.816,39 5.087,40 3.663,41 4.031,42 5.493,43 3.83,44 4.811,45 5.106,46 3.514,47 3.949,48 5.447,49 3.711,50 4.649,51 4.949,52 3.293,53 3.761,54 5.294,55 3.515,56 0.054,57 0.687,58 11.951,59 5.088,60 6.318,61 7.302,62 0.116,63 1.151,64 22.607,65 8.962,66 14.271,67 12.927,68 0.212,69 1.444,70 32.865,71 11.521,72 23.317,73 16.788,74 0.29,75 1.406,76 31.184,77 10.466,78 27.237,79 15.561,80 0.2,81 1.354,82 28.771,83 10.5,84 19.377,85 15.419,86 0.216,87 1.328,88 30.545,89 11.433,90 20.528,91 16.464,92 0.197,93 1.23,94 32.849,95 11.673,96 20.71,97 16.436,98 0.209,99 1.003,100 30.517,101 9.896,102 20.624,103 13.8,104 12,105 33,106 0.224,107 0.503,108 0.693,109 0.835,110 0.881,111 0.881,112 3.188,113 1.142,114 -5.64,115 -5.51,116 -5.14,121 40,122 1,123 9,127 1,144 3,145 2,146 2,148 2,176 11,180 4,185 3,187 14,192 3,197 3,200 9,206 3,209 1,211 5,214 11,224 2,227 11,232 1,237 2,239 14,244 1,249 1,251 12,256 1,264 11,269 1,277 10,281 838,282 15.974,283 15.974,284 15.974,285 15.974,286 15.974,287 14.662,288 13.384,289 9.994,290 16.222,291 12.368,292 12.368,293 12.368,294 12.368,295 12.368,296 10.274,297 13.049,298 4.771,299 12.826,300 4.336,301 2.704,302 1.591,303 0.765,304 0.495,305 0.495,306 3.877,308 1,312 1,313 502,314 3.162,318 140.178,322 160.174,325 1.357,326 11.11,329 0.75,330 1,331 1,332 1,333 1,334 1,335 1,336 0.96,337 47.333,338 235,339 4.651,340 3.373,341 6.833,342 4.214,343 3.235,344 4.582,345 0.4,346 11.364,347 3.165,348 3.99,349 2.943,350 6.004,351 3.58,352 2.61,353 3.534,355 8.477,356 2.532,357 3.584,358 2.562,359 5.427,360 3.192,361 2.252,362 2.961,364 6.886,365 2.103,366 3.365,367 2.271,368 4.899,369 2.891,370 1.986,371 2.699,373 5.573,374 1.839,375 2.868,376 1.888,377 4.121,378 2.831,379 1.842,380 1.878,382 3.734,383 1.703,384 2.671,385 1.64,386 3.974,387 2.473,388 1.493,389 1.716,391 3.396,392 1.457,393 2.495,394 1.435,395 3.774,396 2.407,397 1.414,398 1.495,400 3.186,401 1.401,402 2.454,403 1.42,404 3.591,405 2.249,406 1.256,407 1.453,409 2.898,410 1.246,411 2.087,412 1.15,413 3.334,414 2.003,415 1.029,416 1.069,418 2.212,419 0.996,420 1.787,421 0.79,422 2.979,423 1.649,424 0.669,425 0.728,427 1.309,428 0.649,429 1.374,430 0.357,431 2.743,432 1.163,433 0.196,434 0.217,436 0.388,437 0.188,438 1.149,439 0.202,440 2.541,441 0.812,442 -0.134,443 -0.16,445 -0.312,446 -0.111,447 0.988,448 -0.058,449 2.344,450 0.685,451 -0.229,452 -0.275,454 -0.51,455 -0.195,456 0.658,457 -0.455,458 2.19,459 0.382,460 -0.584,461 -0.654,463 -1.253,464 -0.535,465 0.384,466 -0.57,467 2,468 0.188,469 -0.751,470 -0.85,472 -1.768,473 -0.671,474 11.514,475 0.501,476 0.38,477 0.017,478 24.25,479 1.054,480 10.5,481 0.457,482 13.75,483 0.598,484 23.981,485 1.043,486 25.686,487 0.514,488 13.247,489 0.576,490 3.743,491 0.163,492 7.549,493 0.328,494 0.105,496 0.261,501 0.751,502 1.27,503 0.771,504 1.055,505 0.683,506 1.05,507 0.758,508 1.264,509 0.788,510 1.063,511 0.589,512 1.061,513 0.96,514 1.036,515 0.812,516 0.879,517 0.835,518 0.862,519 1.01,520 1.015,521 0.82,522 0.905,523 0.866,524 0.923,525 1.026,526 1.008,527 0.813,528 0.926,529 0.904,530 0.988,531 0.701,532 1.067,533 0.843,534 1.049,535 0.782,536 1.081,537 0.956,538 0.977,539 1.052,540 1.028,541 1.051,542 1.028,543 1.381,544 0.837,545 1.365,546 1.024,547 1.433,548 0.996,549 3,550 0.078,551 2,552 1.375,553 1.311,554 0.521,555 0.422,556 0.208,557 0.143,558 0.097,559 5465,560 10346,561 2.093,562 54,563 17,564 5,567 1,568 2,569 2,572 1.659,573 2,574 3.246,575 -0.412,582 65.372,583 1.307,584 2.94,585 4.053,586 4.879,587 5.149,588 5.149,589 2.67,590 4.35,591 4.482,592 3.419,593 865.117,594 7.736,595 9824.97,600 282.193,601 1.214,602 4.473,603 0.12,604 0.007,605 0.061,606 0.039,607 0.041,608 0.018,609 0.017,610 0.01,611 0.009,612 0.007,613 0.329,614 0.5,615 0.88,616 1.88,617 107.564,618 0.005,619 -0.031,620 0.028,621 0.017,622 0.05,623 0.031,624 0.036,625 -0.146,626 0.029,627 -0.05,628 0.167,629 -0.035,630 0.041,631 -0.02,632 0.094,633 0.08,634 0.111,635 0.108,636 0.107,637 0.045,638 0.043,639 0.026,640 0.111,641 0.027,642 -0.101,643 0.051,644 -0.019,645 0.016,646 -0.096,647 -0.024,648 0.068,649 -0.071,650 -0.004,651 -0.078,652 -0.009,653 -0.098,654 -0.027,655 -0.057,656 -0.022,657 -0.041,658 -0.074,659 -0.049,660 -0.136,661 0.057,662 -0.108,663 -0.018,664 -0.168,665 -0.018,666 0.897,667 2.058,668 0.609,669 21.274,670 0.98,671 1.127,672 4.409,673 19.442,674 0.655,675 3.258,676 3.526,677 3.807,678 4.111,679 4.407,680 4.511,681 4.635,682 4.754,683 4.796,684 4.635,685 5.802,686 0.594,687 330.94,688 3.258,689 4.762,690 5.602,691 6.472,692 7.345,693 8.235,694 9.124,695 10.024,696 10.922,697 11.827,698 4,703 1,708 1,714 2,715 3,716 1,720 4,722 11,734 1,740 1,741 50,743 11,744 1,745 25,747 52,748 20,749 9,750 3,751 3,756 3,757 6,758 1,763 1,767 4,770 9,772 9,773 11,793 27,794 2,795 1,796 3,797 1,802 2,808 0.333,822 1,829 3,833 2,859 1,864 1,865 1,868 23,876 10,877 1,892 1,901 11.5,902 9.093,903 5.278,904 3.768,907 2.424,908 1.34,909 0.98,910 5.908,911 9.549,912 3.45,913 4.016,914 4.635,915 5.279,916 5.918,917 6.297,918 6.67,919 7.043,920 7.321,921 7.167,922 0.857,923 35,924 8.559,926 3.526,927 0.026,929 7.353,931 17.344,933 14.549,936 1.853,937 42.611,938 0.001,941 306.049,942 79.087,943 34.796,944 39.149,948 79.087,949 345.197,950 34.796,951 8.825,952 24.916,953 28.429,954 34.796,955 16.917,957 306.049,958 39.149,959 306.049,960 113.883,962 39.149,964 282.506,965 23.542,968 38.643,969 40.445,970 73.945,972 306.049,973 34.796,974 118.236,977 306.049,978 41.833,979 37.254,980 18.011,981 55.934,982 306.049,983 34.796,984 118.236,986 0.554,987 0.319,988 0.183,989 0.108,990 15,991 6,992 0.135,993 7,994 2,995 1.286,996 3.572,997 179.849,998 0.286,999 14,1000 100.042,1005 16.731,1006 8.122,1007 4.049,1008 2.259,1009 34.796,1010 6.102,1011 4.882,1015 4.808,1017 18.011,1018 459.081,1019 30.5,1031 49.014,1032 56.338,1034 0.232,1035 0.521,1036 0.718,1037 0.864,1038 0.912,1039 0.912,1040 4.661,1041 1.256,1042 5.549,1043 3.186,1044 4.205,1045 4.7,1046 0.278,1047 6.347,1048 4.134,1049 5.829,1050 1.029,1051 7.086,1052 2.898,1053 3.611,1054 4.559,1056 7.248,1057 3.453,1058 7.128,1059 0.669,1060 8.736,1061 2.212,1062 5.753,1063 6.949,1064 0.05,1065 10.422,1066 5.628,1067 8.475,1068 0.196,1069 10.459,1070 1.309,1071 6.066,1072 7.717,1074 12.232,1075 5.885,1076 9.864,1077 -0.134,1078 12.231,1079 0.388,1080 7.624,1081 9.576,1082 0.008,1083 14.913,1084 7.457,1085 11.285,1086 -0.229,1087 14.036,1088 -0.312,1089 8.395,1090 10.751,1092 17.086,1093 8.194,1094 12.729,1095 -0.584,1096 15.865,1097 -0.51,1098 9.708,1099 12.405,1100 0.001,1101 19.603,1102 9.505,1103 3.235,1104 -0.751,1105 17.712,1106 -1.253,1107 10.7,1108 13.769,1110 21.923,1111 10.472,1112 2.61,1113 11.364,1114 19.573,1115 -1.768,1116 11.916,1117 15.34,1119 24.383,1120 11.678,1121 2.252,1122 8.477,1123 21.443,1124 4.582,1125 13.007,1126 16.789,1128 26.765,1129 12.747,1130 1.986,1131 6.886,1132 23.322,1133 3.534,1134 14.189,1135 18.329,1137 29.205,1138 13.913,1139 1.842,1140 5.573,1141 25.208,1142 2.961,1143 15.325,1144 19.817,1146 31.614,1147 15.027,1148 1.493,1149 3.734,1150 27.099,1151 2.699,1152 16.496,1153 21.344,1155 34.047,1156 16.181,1157 1.414,1158 3.396,1159 28.994,1160 1.878,1161 17.651,1162 22.85,1164 36.467,1165 17.314,1166 5424,1167 7683,1168 16.989,1169 32.768,1170 35.813,1171 36.489,1172 37.278,1173 36.186,1174 35.965,1175 44.666,1176 0.8,1177 98.843,1178 34.557,1179 5.599,1180 5.373,1181 6.796,1182 5.255,1183 5.235,1184 7.582,1185 0.8,1186 18.902,1187 5.165,1188 8.979,1189 1.433,1190 1.46,1191 1.491,1192 1.447,1193 1.439,1194 1.787,1195 0.032,1196 3.954,1197 1.382,1198 4.114,1199 4.143,1200 4.126,1201 4.046,1202 5.037,1203 4.049,1204 3.767,1205 3.833,1206 3.778,1207 3.664,1208 4.685,1209 3.649,1210 3.735,1211 3.78,1212 3.593,1213 3.636,1214 4.269,1215 3.616,1216 3.538,1217 3.62,1218 3.423,1219 3.376,1220 4.171,1221 3.359,1222 3.3,1223 3.369,1224 3.308,1225 3.18,1226 4.127,1227 3.164,1228 3.163,1229 3.238,1230 3.036,1231 2.985,1232 3.954,1233 2.982,1234 3.083,1235 3.171,1236 2.947,1237 2.915,1238 3.807,1239 2.887,1240 2.902,1241 2.981,1242 2.823,1243 2.767,1244 3.517,1245 2.745,1246 0.186,1247 0.135,1248 0.273,1249 0.169,1250 0.129,1251 4.651,1252 0.183,1253 3.373,1254 0.016,1255 6.833,1256 0.455,1257 4.214,1258 0.127,1259 3.235,1260 4.582,1261 0.4,1262 11.364,1263 3.165,1264 2.07,1265 2.047,1266 2.149,1267 2.158,1268 1.437,1269 2.159,1270 1.778,1271 1.716,1272 2.036,1273 1.942,1274 1.377,1275 1.977,1276 1.75,1277 1.708,1278 1.926,1279 1.863,1280 1.16,1281 1.892,1282 1.552,1283 1.475,1284 1.843,1285 1.755,1286 1.104,1287 1.789,1288 1.295,1289 1.237,1290 1.574,1291 1.5,1292 0.787,1293 1.532,1294 1.153,1295 1.077,1296 1.454,1297 1.348,1298 0.745,1299 1.38,1300 1.116,1301 1.031,1302 1.384,1303 1.323,1304 0.596,1305 1.363,1306 0.915,1307 0.849,1308 1.23,1309 1.135,1310 0.418,1311 1.173,1312 3.932,1314 5.209,1316 6.708,1318 8.329,1320 10.023,1322 2.263,1323 6.169,1328 12.4,1329 3.729,1340 29.719,1341 65.372,1342 146.99,1343 202.625,1344 243.928,1345 257.438,1346 257.438,1347 33.05,1348 7.125,1349 24.92,1350 24.92,1351 18,1352 12.348,1353 3.585,1354 2.7,1355 36.818,1356 74,1357 112,1358 0.235,1359 187.722,1360 319.69,1361 449.801,1362 11297,1363 2,1364 16.071,1365 0.699,1366 0.647,1367 16.571,1368 14.884,1369 11.292,1370 0.452,1371 0.381,1372 9.137,1373 10.854,1374 8.88,1375 7.423,1376 11.581,1377 9.52,1378 9.507,1379 0.288,1380 0.214,1381 9.915,1382 7.058,1383 7.868,1384 0.179,1385 0.115,1386 8.13,1387 5.042,1388 6.744,1389 0.112,1390 0.062,1391 6.979,1392 3.709,1393 5.784,1394 0.071,1395 0.034,1396 6.016,1397 2.786,1398 0.364,1399 71.79,1400 0.243,1401 22.612,1402 0.655,1403 116,1404 238.181,1405 135.294,1406 269.428,1407 372.14,1408 254,1409 135,1410 260.37,1411 149.088,1412 275.911,1413 407.75,1414 263,1415 7.886}
{0 CHEMBL597821,1 1.345,2 18.789,3 5.916,4 35.003,5 156.093,6 6.72,7 0.429,8 4.399,9 4.518,10 3.889,11 3.961,12 5.375,13 3.915,14 4.977,15 5.162,16 4.201,17 4.357,18 5.884,19 4.287,20 5.225,21 5.438,22 4.221,23 4.504,24 6.1,25 4.384,26 5.32,27 5.587,28 4.102,29 4.474,30 6.111,31 4.317,32 5.225,33 5.479,34 4.094,35 4.419,36 6.09,37 4.275,38 5.203,39 5.457,40 4.026,41 4.4,42 6.035,43 4.247,44 5.134,45 5.388,46 3.971,47 4.311,48 5.972,49 4.169,50 4.981,51 5.21,52 3.925,53 4.22,54 5.861,55 4.092,56 0.058,57 1.021,58 17.277,59 7.63,60 8.432,61 10.287,62 0.302,63 1.727,64 32.683,65 12.336,66 25.398,67 17.001,68 0.385,69 2.11,70 42.181,71 16.655,72 38.875,73 23.027,74 0.381,75 2.232,76 47.238,77 18.241,78 48.586,79 25.859,80 0.487,81 2.035,82 42.88,83 16.77,84 55.554,85 23.593,86 0.309,87 1.968,88 41.669,89 16.927,90 46.214,91 23.546,92 0.359,93 1.815,94 39.311,95 15.363,96 45.54,97 21.253,98 0.388,99 1.604,100 33.386,101 13.11,102 39.753,103 18.133,104 5,105 56,106 0.207,107 0.496,108 0.711,109 0.812,110 0.837,111 0.841,112 3.667,113 0.983,114 -5.15,115 -5.05,116 -4.73,121 43.4,123 3,126 1,127 8,137 1,138 1,144 12,145 5,146 1,159 1,176 21,180 8,187 24,191 1,192 12,200 19,206 7,214 13,218 2,219 8,227 18,232 5,239 21,244 6,251 21,255 1,256 6,264 16,268 1,269 5,277 10,281 3440,282 26.223,283 26.223,284 26.223,285 26.223,286 26.223,287 23.788,288 32.319,289 16.026,290 26.71,291 20.821,292 20.821,293 20.821,294 20.821,295 20.821,296 17.1,297 42.017,298 7.764,299 21.548,300 4.903,301 3.02,302 1.621,303 0.962,304 0.799,305 0.773,306 4.377,312 1,313 1560,314 3.937,317 100.573,318 567.974,321 186.003,325 3.474,326 25.15,329 0.75,330 0.67,331 0.67,332 0.9,333 0.5,334 0.67,335 0.5,336 0.66,337 80,338 714,339 4.53,340 3.705,341 6.698,342 4.201,343 3.19,344 4.136,345 0.995,346 10.816,347 3.225,348 4.088,349 3.042,350 5.686,351 3.712,352 2.732,353 3.694,354 0.86,355 7.845,356 2.686,357 3.93,358 2.903,359 5.574,360 3.573,361 2.589,362 3.455,363 0.86,364 7.567,365 2.548,366 3.833,367 2.881,368 5.392,369 3.442,370 2.523,371 3.261,372 0.8,373 7.07,374 2.39,375 3.562,376 2.721,377 5.34,378 3.423,379 2.455,380 2.857,381 0.68,382 6.965,383 2.309,384 3.521,385 2.611,386 5.236,387 3.231,388 2.26,389 2.553,390 0.359,391 6.622,392 2.186,393 3.327,394 2.441,395 5.122,396 2.964,397 1.987,398 2.521,400 5.994,401 1.935,402 3.134,403 2.176,404 4.765,405 2.83,406 1.85,407 2.261,409 5.043,410 1.798,411 2.994,412 2.136,413 4.605,414 2.657,415 1.688,416 2.12,418 4.811,419 1.637,420 2.772,421 1.922,422 3.773,423 2.593,424 1.606,425 1.849,427 3.458,428 1.578,429 2.703,430 1.702,431 3.574,432 2.376,433 1.411,434 1.706,436 2.993,437 1.369,438 2.5,439 1.489,440 3.552,441 2.293,442 1.385,443 1.5,445 2.98,446 1.231,447 2.5,448 1.319,449 3.54,450 2,451 1,452 1.5,454 2.275,455 1,456 2.437,457 1.256,458 3.414,459 2,460 1,461 1.435,463 2.136,464 1,465 2.393,466 1.131,467 3.247,468 1.952,469 1,470 1.2,472 2.136,473 0.946,474 18.3,475 0.482,476 0.708,477 0.019,478 45.25,479 1.191,480 21.5,481 0.566,482 23.75,483 0.625,484 35.464,485 0.933,486 41.1,487 0.541,488 35.432,489 0.932,490 9.074,491 0.239,492 9.563,493 0.252,494 0.046,496 0.262,501 0.782,502 1.305,503 0.872,504 1.147,505 0.613,506 1.037,507 1.375,508 0.972,509 1.06,510 0.923,511 0.788,512 0.938,513 1.101,514 1.12,515 1.117,516 1.118,517 0.896,518 1.119,519 0.912,520 0.969,521 0.953,522 0.965,523 1.093,524 0.962,525 0.815,526 0.923,527 0.941,528 0.958,529 0.855,530 0.961,531 0.89,532 0.979,533 0.964,534 1.018,535 1.099,536 1.006,537 1.166,538 0.904,539 0.962,540 0.915,541 1.284,542 0.923,543 1.06,544 1.013,545 1.03,546 1.005,547 1.117,548 1.016,549 6.5,550 0.237,551 2.667,552 2.201,553 1.498,554 1.028,555 0.67,556 0.346,557 0.362,558 0.188,559 29777,560 62608,561 2.145,562 50,563 2,564 32,569 4,572 1.78,573 2.073,574 4.142,575 -0.862,582 102.201,583 1.345,584 3.228,585 4.627,586 5.286,587 5.449,588 5.475,589 3.642,590 4.88,591 5.21,592 4.369,593 3071.29,594 9.141,595 57403.1,600 474.842,601 1.105,602 5.207,603 0.155,604 0.006,605 0.048,606 0.041,607 0.032,608 0.022,609 0.015,610 0.008,611 0.009,612 0.005,613 0.341,614 0.33,615 0.63,616 0.362,617 219.441,618 0.031,619 -0.148,620 0.074,621 -0.058,622 0.007,624 -0.165,625 0.148,626 -0.056,627 0.077,628 -0.035,629 0.036,630 -0.053,631 -0.087,632 -0.132,633 -0.112,634 -0.001,635 -0.128,636 -0.024,637 0.002,638 0.028,639 0.013,640 -0.009,641 0.025,642 0.119,643 0.056,644 0.042,645 0.03,646 0.127,647 0.029,648 -0.017,649 -0.025,650 0.008,651 -0.013,652 -0.01,653 -0.002,654 -0.071,655 0.047,656 0.033,657 0.074,658 -0.078,659 0.065,660 0.034,661 -0.021,662 -0.038,663 -0.005,664 -0.06,665 -0.027,666 1.551,667 6.144,668 0.711,669 68.399,670 0.988,671 1.12,672 3.924,673 15.398,674 0.659,675 3.761,676 4.043,677 4.277,678 4.522,679 4.727,680 4.718,681 4.875,682 5.017,683 5.069,684 5.193,685 10.678,686 0.614,687 510.73,688 3.761,689 5.283,690 6.111,691 6.965,692 7.809,693 8.67,694 9.524,695 10.39,696 11.252,697 12.124,698 2.6,701 2,715 12,720 6,722 18,727 1,739 1,741 76,743 20,744 3,745 42,747 80,748 33,749 18,750 6,751 12,752 3,756 5,757 6,767 1,770 3,772 21,773 12,777 2,782 1,784 1,786 2,793 38,794 5,796 5,802 2,808 0.8,809 3,828 1,829 4,832 1,849 1,850 1,855 2,858 1,859 4,864 1,868 38,876 11,878 2,881 2,893 3.9,896 1,897 1,898 1,901 18.333,902 13.733,903 8.417,904 4.749,907 3.857,908 1.451,909 0.986,910 9.164,911 12.402,912 3.989,913 4.505,914 5.019,915 5.535,916 6.06,917 6.201,918 6.596,919 6.989,920 7.286,921 7.674,922 0.923,923 54,924 14.133,926 5.914,927 0.026,929 7.496,931 27.939,933 23.139,936 1.996,937 75.833,941 447.302,942 192.987,943 6.249,945 47.145,948 192.987,949 494.447,950 6.249,951 8.396,952 31.909,953 123.191,954 41.278,955 41.605,957 447.302,959 447.302,960 199.236,961 47.145,964 400.217,965 83.229,966 11,968 38.158,969 151.602,970 9.476,972 447.302,973 53.393,974 192.987,977 447.302,978 61.4,979 137.836,981 47.145,982 447.302,983 53.393,984 192.987,986 0.569,987 0.322,988 0.175,989 0.096,990 25,991 10,992 0.138,993 11,994 1,995 1.074,996 5.217,997 344.405,998 0.074,999 27,1000 183.421,1005 26.526,1006 13.128,1007 7.5,1009 53.393,1010 25.029,1015 6.286,1018 693.682,1019 53,1024 13.144,1026 2.034,1028 0.959,1031 75.09,1032 85.098,1034 0.215,1035 0.517,1036 0.741,1037 0.846,1038 0.872,1039 0.876,1040 5.212,1041 1.85,1042 6.057,1043 5.994,1044 4.727,1045 5.193,1046 2.066,1047 6.797,1048 4.674,1049 6.368,1050 1.688,1051 7.563,1052 5.043,1053 4.111,1054 4.771,1055 0.57,1056 7.513,1057 4.056,1058 7.636,1059 1.606,1060 9.166,1061 4.811,1062 6.248,1063 7.258,1064 1.71,1065 10.618,1066 6.163,1067 8.938,1068 1.411,1069 10.83,1070 3.458,1071 6.479,1072 7.674,1073 0.674,1074 12.229,1075 6.417,1076 10.275,1077 1.385,1078 12.535,1079 2.993,1080 8.038,1081 9.617,1082 1.457,1083 14.836,1084 7.95,1085 11.637,1086 1,1087 14.27,1088 2.98,1089 8.698,1090 10.454,1091 0.694,1092 16.866,1093 8.648,1094 13.02,1095 1,1096 16.029,1097 2.275,1098 10.002,1099 12.142,1100 1.265,1101 19.31,1102 9.939,1103 3.19,1104 1,1105 17.808,1106 2.136,1107 10.893,1108 13.213,1109 0.692,1110 21.538,1111 10.869,1112 2.732,1113 10.816,1114 19.603,1115 2.136,1116 12.086,1117 14.766,1118 1.117,1119 23.932,1120 12.063,1121 2.589,1122 7.845,1123 21.414,1124 4.136,1125 13.099,1126 15.974,1127 0.684,1128 26.248,1129 13.111,1130 2.523,1131 7.567,1132 23.237,1133 3.694,1134 14.249,1135 17.456,1136 1.002,1137 28.629,1138 14.272,1139 2.455,1140 7.07,1141 25.072,1142 3.455,1143 15.326,1144 18.745,1145 0.674,1146 30.982,1147 15.379,1148 2.26,1149 6.965,1150 26.917,1151 3.261,1152 16.465,1153 20.189,1154 0.913,1155 33.361,1156 16.533,1157 1.987,1158 6.622,1159 28.77,1160 2.857,1161 17.576,1162 21.527,1163 0.666,1164 35.73,1165 17.669,1166 27585,1167 40152,1168 29.008,1169 50.08,1170 62.001,1171 63.018,1172 62.146,1173 61.38,1174 61.331,1175 76.656,1176 9.107,1177 166.889,1178 59.542,1179 5.53,1180 5.705,1181 6.5,1182 5.305,1183 5.19,1184 7.136,1185 1.855,1186 17.865,1187 5.225,1188 12.006,1189 1.476,1190 1.5,1191 1.48,1192 1.461,1193 1.46,1194 1.825,1195 0.217,1196 3.974,1197 1.418,1198 4.069,1199 4.088,1200 4.021,1201 4.009,1202 7.427,1203 4.009,1204 3.938,1205 3.971,1206 3.87,1207 3.869,1208 4.844,1209 3.865,1210 3.878,1211 3.908,1212 3.81,1213 3.826,1214 4.765,1215 3.819,1216 3.826,1217 3.886,1218 3.701,1219 3.631,1220 4.726,1221 3.637,1222 3.617,1223 3.666,1224 3.505,1225 3.451,1226 4.625,1227 3.457,1228 3.532,1229 3.601,1230 3.395,1231 3.383,1232 4.366,1233 3.376,1234 3.424,1235 3.469,1236 3.308,1237 3.259,1238 4.206,1239 3.263,1240 3.155,1241 3.221,1242 2.997,1243 2.95,1244 4.071,1245 2.949,1246 0.108,1247 0.088,1248 0.159,1249 0.1,1250 0.076,1251 4.53,1252 0.098,1253 3.705,1254 0.024,1255 6.698,1256 0.258,1257 4.201,1258 0.077,1259 3.19,1260 4.136,1261 0.995,1262 10.816,1263 3.225,1264 1.956,1265 1.93,1266 2.073,1267 2.047,1268 1.327,1269 2.058,1270 1.902,1271 1.874,1272 2.026,1273 2.008,1274 1.241,1275 2.009,1276 1.889,1277 1.873,1278 2.008,1279 1.978,1280 1.17,1281 1.996,1282 1.768,1283 1.704,1284 1.967,1285 1.965,1286 1.144,1287 1.966,1288 1.595,1289 1.563,1290 1.838,1291 1.78,1292 1.119,1293 1.804,1294 1.572,1295 1.514,1296 1.764,1297 1.75,1298 0.937,1299 1.759,1300 1.43,1301 1.359,1302 1.654,1303 1.624,1304 0.825,1305 1.635,1306 1.153,1307 1.095,1308 1.513,1309 1.421,1310 0.803,1311 1.431,1312 4.443,1314 5.733,1315 2.398,1316 7.209,1317 4.844,1318 8.766,1319 7.018,1320 10.368,1322 2.14,1328 10.093,1330 11.391,1333 4.757,1340 46.67,1341 102.201,1342 245.356,1343 351.684,1344 401.723,1345 414.088,1346 416.088,1347 64.169,1348 8.545,1349 42.01,1350 42.01,1351 29,1352 12.668,1353 4.392,1354 3.585,1355 59.637,1356 240,1357 248,1358 0.116,1359 283.727,1360 504.29,1361 684.053,1362 82817,1364 26.158,1365 0.688,1366 0.59,1367 26.158,1368 22.403,1369 18.636,1370 0.444,1371 0.328,1372 13.61,1373 18.077,1374 13.25,1375 10.962,1376 18.636,1377 13.764,1378 16.303,1379 0.291,1380 0.186,1381 16.303,1382 10.403,1383 13.429,1384 0.189,1385 0.103,1386 13.429,1387 7.308,1388 11.129,1389 0.122,1390 0.057,1391 11.129,1392 5.221,1393 9.063,1394 0.081,1395 0.032,1396 9.063,1397 3.566,1398 0.192,1399 115.612,1400 0.186,1401 35.998,1402 0.289,1403 196,1404 490.497,1405 208.355,1406 473.14,1407 648.51,1408 448,1409 225,1410 462.601,1411 238.412,1412 475.626,1413 691.74,1414 446,1415 6.051}
{0 CHEMBL597822,1 1.287,2 18.789,3 7.146,4 51.062,5 159.16,6 6.523,7 0.429,8 4.414,9 4.54,10 3.879,11 3.995,12 5.361,13 3.936,14 4.996,15 5.19,16 4.194,17 4.402,18 5.864,19 4.314,20 5.273,21 5.502,22 4.22,23 4.545,24 6.104,25 4.41,26 5.363,27 5.64,28 4.1,29 4.498,30 6.131,31 4.334,32 5.23,33 5.486,34 4.09,35 4.439,36 6.081,37 4.288,38 5.228,39 5.489,40 4.023,41 4.428,42 6.035,43 4.265,44 5.16,45 5.422,46 3.968,47 4.341,48 5.972,49 4.188,50 5.01,51 5.251,52 3.919,53 4.249,54 5.85,55 4.111,56 0.075,57 1.046,58 18.069,59 7.915,60 10.042,61 10.931,62 0.25,63 1.793,64 33.437,65 13.04,66 23.455,67 18.451,68 0.302,69 2.23,70 44.303,71 17.81,72 37.537,73 25.059,74 0.397,75 2.332,76 49.129,77 18.921,78 50.239,79 26.975,80 0.458,81 2.067,82 42.794,83 17.081,84 54.124,85 24.155,86 0.284,87 2.031,88 42.387,89 17.547,90 45.032,91 24.577,92 0.324,93 1.879,94 39.986,95 15.983,96 43.743,97 22.288,98 0.259,99 1.665,100 34.213,101 13.712,102 34.759,103 19.142,104 5,105 56,106 0.197,107 0.478,108 0.686,109 0.787,110 0.827,111 0.842,112 3.667,113 1.013,114 -6.12,115 -5.97,116 -5.55,121 43.6,123 6,126 1,127 6,137 1,138 1,144 12,145 5,146 1,159 1,176 23,180 10,187 25,192 13,200 19,206 7,214 15,218 2,219 7,227 21,232 4,239 22,244 8,251 21,256 7,264 16,268 1,269 5,277 14,281 3440,282 26.223,283 26.223,284 26.223,285 26.223,286 26.223,287 23.788,288 31.543,289 16.026,290 26.55,291 20.821,292 20.821,293 20.821,294 20.821,295 20.821,296 17.1,297 40.477,298 7.764,299 21.325,300 4.998,301 3.162,302 1.8,303 1.14,304 0.875,305 0.779,306 4.377,313 1560,314 3.937,317 100.573,318 567.974,321 186.003,325 3.474,326 21.835,329 0.5,330 0.5,331 0.67,332 0.9,333 0.5,334 0.67,335 0.5,336 0.6,337 79,338 714,339 4.53,340 3.705,341 6.698,342 4.201,343 3.19,344 4.136,345 0.995,346 10.816,347 3.225,348 4.088,349 3.042,350 5.686,351 3.712,352 2.732,353 3.694,354 0.86,355 7.845,356 2.686,357 3.93,358 2.901,359 5.574,360 3.573,361 2.589,362 3.455,363 0.8,364 7.567,365 2.548,366 3.833,367 2.829,368 5.392,369 3.453,370 2.523,371 3.261,372 0.68,373 7.07,374 2.39,375 3.562,376 2.721,377 5.34,378 3.425,379 2.455,380 2.857,381 0.359,382 6.965,383 2.342,384 3.521,385 2.611,386 5.236,387 3.231,388 2.26,389 2.553,391 6.622,392 2.186,393 3.327,394 2.441,395 5.122,396 2.964,397 1.987,398 2.521,400 5.994,401 1.936,402 3.134,403 2.137,404 4.765,405 2.83,406 1.85,407 2.261,409 5.043,410 1.798,411 2.994,412 1.926,413 4.605,414 2.677,415 1.688,416 2.12,418 4.811,419 1.667,420 2.772,421 1.746,422 3.773,423 2.605,424 1.606,425 1.849,427 3.458,428 1.601,429 2.703,430 1.536,431 3.574,432 2.383,433 1.411,434 1.706,436 2.993,437 1.371,438 2.5,439 1.489,440 3.552,441 2.374,442 1.385,443 1.5,445 2.98,446 1.363,447 2.5,448 1.319,449 3.54,450 2,451 1,452 1.5,454 2.275,455 1,456 2.437,457 1.084,458 3.414,459 2,460 1,461 1.435,463 2.136,464 1,465 2.393,466 1.077,467 3.247,468 1.984,469 1,470 1.2,472 2.136,473 0.983,474 18.467,475 0.486,476 0.708,477 0.019,478 44.75,479 1.178,480 21.5,481 0.566,482 23.25,483 0.612,484 36.801,485 0.968,486 40.933,487 0.525,488 34.095,489 0.897,490 8.575,491 0.226,492 10.061,493 0.265,494 0.045,496 0.26,501 0.759,502 1.274,503 0.911,504 1.123,505 0.588,506 1.043,507 1.233,508 1.017,509 1.053,510 0.975,511 0.674,512 0.982,513 1.088,514 1.148,515 1.081,516 1.129,517 0.829,518 1.107,519 1.156,520 0.92,521 0.955,522 0.911,523 1.145,524 0.914,525 0.868,526 0.944,527 0.956,528 0.977,529 0.87,530 0.973,531 0.944,532 0.979,533 0.959,534 1.014,535 1.111,536 0.996,537 1.281,538 0.906,539 0.955,540 0.916,541 1.3,542 0.917,543 1.241,544 1.037,545 1.019,546 1.024,547 1.146,548 1.011,549 6.5,550 0.237,551 2.667,552 2.201,553 1.498,554 1.028,555 0.67,556 0.346,557 0.362,558 0.188,559 29777,560 56360,561 2.145,562 51.3,563 4,564 28,569 8,572 1.78,573 2.073,574 4.142,575 -0.888,582 100.411,583 1.287,584 3.124,585 4.486,586 5.146,587 5.41,588 5.506,589 3.642,590 4.88,591 5.21,592 4.369,593 3071.29,594 9.141,595 57403.1,600 490.261,601 1.105,602 5.207,603 0.155,604 0.006,605 0.048,606 0.041,607 0.032,608 0.022,609 0.015,610 0.008,611 0.009,612 0.005,613 0.341,614 0.33,615 0.5,616 0.362,617 219.441,618 0.045,619 -0.117,620 0.07,621 -0.031,622 0.024,623 0.012,624 -0.115,625 0.106,626 -0.044,627 0.034,628 0.016,629 0.011,630 -0.041,631 -0.123,632 -0.089,633 -0.125,634 0.04,635 -0.112,636 -0.04,637 0.05,638 0.043,639 0.054,640 -0.003,641 0.056,642 0.179,643 0.04,644 0.036,645 0.012,646 0.155,647 0.014,648 0.002,649 -0.025,650 0.02,651 -0.013,652 0.013,653 0.002,654 -0.056,655 0.045,656 0.046,657 0.072,658 -0.055,659 0.066,660 -0.052,661 -0.047,662 -0.019,663 -0.026,664 -0.069,665 -0.021,666 1.54,667 6.155,668 0.711,669 68.399,670 0.983,671 1.119,672 4.895,673 23.96,674 0.659,675 3.761,676 4.043,677 4.277,678 4.522,679 4.727,680 4.718,681 4.875,682 5.017,683 5.069,684 5.193,685 10.678,686 0.609,687 508.76,688 3.761,689 5.283,690 6.111,691 6.965,692 7.809,693 8.67,694 9.524,695 10.39,696 11.252,697 12.124,698 2.6,701 2,715 12,720 6,722 18,727 1,739 1,741 78,743 20,744 3,745 42,747 82,748 34,749 18,750 6,751 12,752 3,756 5,757 6,767 4,770 6,772 21,773 13,777 2,782 1,784 1,786 2,793 40,794 4,796 4,802 2,808 0.8,809 2,828 1,829 4,832 1,849 1,850 1,855 2,859 4,864 1,868 38,876 12,878 1,881 2,893 2.6,896 1,898 1,901 18.333,902 14.067,903 8.417,904 5.082,907 3.857,908 1.451,909 0.99,910 9.195,911 12.402,912 3.989,913 4.505,914 5.019,915 5.535,916 6.06,917 6.201,918 6.596,919 6.989,920 7.286,921 7.674,922 0.923,923 54,924 14.154,926 5.93,927 0.026,929 7.443,931 28.221,933 23.599,936 1.943,937 73.833,941 470.844,942 191.406,943 6.249,945 36.145,948 191.406,949 506.989,950 6.249,951 8.396,952 30.328,953 123.191,954 30.278,955 41.605,957 470.844,959 470.844,960 197.655,961 36.145,964 376.675,965 130.314,968 36.577,969 151.602,970 9.476,972 470.844,973 42.393,974 191.406,977 470.844,978 59.818,979 137.836,981 36.145,982 470.844,983 42.393,984 191.406,986 0.569,987 0.322,988 0.175,989 0.096,990 25,991 10,992 0.134,993 11,994 1,995 1.074,996 5.217,997 344.405,998 0.074,999 27,1000 187.421,1005 26.563,1006 13.154,1007 7.518,1009 42.393,1010 25.119,1015 6.349,1018 704.644,1019 53,1024 13.155,1026 2.043,1028 0.981,1031 76.647,1032 87.304,1034 0.205,1035 0.497,1036 0.714,1037 0.819,1038 0.861,1039 0.876,1040 5.212,1041 1.85,1042 6.057,1043 5.994,1044 4.727,1045 5.193,1046 1.858,1047 6.797,1048 4.688,1049 6.368,1050 1.688,1051 7.563,1052 5.043,1053 4.111,1054 4.771,1055 0.57,1056 7.513,1057 4.056,1058 7.636,1059 1.606,1060 9.166,1061 4.811,1062 6.248,1063 7.258,1064 1.49,1065 10.618,1066 6.18,1067 8.938,1068 1.411,1069 10.83,1070 3.458,1071 6.479,1072 7.674,1073 0.674,1074 12.229,1075 6.417,1076 10.275,1077 1.385,1078 12.535,1079 2.993,1080 8.038,1081 9.617,1082 1.248,1083 14.836,1084 7.964,1085 11.637,1086 1,1087 14.27,1088 2.98,1089 8.698,1090 10.454,1091 0.694,1092 16.866,1093 8.649,1094 13.02,1095 1,1096 16.029,1097 2.275,1098 10.002,1099 12.142,1100 1.08,1101 19.31,1102 9.949,1103 3.19,1104 1,1105 17.808,1106 2.136,1107 10.893,1108 13.213,1109 0.692,1110 21.538,1111 10.872,1112 2.732,1113 10.816,1114 19.603,1115 2.136,1116 12.086,1117 14.766,1118 0.96,1119 23.932,1120 12.069,1121 2.589,1122 7.845,1123 21.414,1124 4.136,1125 13.099,1126 15.974,1127 0.684,1128 26.248,1129 13.113,1130 2.523,1131 7.567,1132 23.237,1133 3.694,1134 14.249,1135 17.456,1136 0.874,1137 28.629,1138 14.276,1139 2.455,1140 7.07,1141 25.072,1142 3.455,1143 15.326,1144 18.745,1145 0.674,1146 30.982,1147 15.381,1148 2.26,1149 6.965,1150 26.917,1151 3.261,1152 16.465,1153 20.189,1154 0.81,1155 33.361,1156 16.536,1157 1.987,1158 6.622,1159 28.77,1160 2.857,1161 17.576,1162 21.527,1163 0.666,1164 35.73,1165 17.67,1166 27585,1167 38184,1168 29.008,1169 51.387,1170 62.001,1171 62.81,1172 62.146,1173 61.391,1174 61.331,1175 76.656,1176 7.387,1177 166.889,1178 60.084,1179 5.53,1180 5.705,1181 6.5,1182 5.261,1183 5.19,1184 7.136,1185 1.855,1186 17.865,1187 5.225,1188 12.006,1189 1.476,1190 1.495,1191 1.48,1192 1.462,1193 1.46,1194 1.825,1195 0.176,1196 3.974,1197 1.431,1198 4.069,1199 4.09,1200 4.022,1201 4.009,1202 7.427,1203 4.009,1204 3.939,1205 3.972,1206 3.87,1207 3.869,1208 4.843,1209 3.865,1210 3.881,1211 3.935,1212 3.81,1213 3.827,1214 4.765,1215 3.819,1216 3.86,1217 3.901,1218 3.728,1219 3.708,1220 4.726,1221 3.702,1222 3.638,1223 3.694,1224 3.512,1225 3.492,1226 4.38,1227 3.485,1228 3.538,1229 3.605,1230 3.405,1231 3.408,1232 4.319,1233 3.401,1234 3.43,1235 3.475,1236 3.314,1237 3.261,1238 4.204,1239 3.266,1240 3.201,1241 3.28,1242 3.032,1243 2.995,1244 4.027,1245 2.993,1246 0.108,1247 0.088,1248 0.159,1249 0.1,1250 0.076,1251 4.53,1252 0.098,1253 3.705,1254 0.024,1255 6.698,1256 0.258,1257 4.201,1258 0.077,1259 3.19,1260 4.136,1261 0.995,1262 10.816,1263 3.225,1264 1.956,1265 1.93,1266 2.073,1267 2.047,1268 1.423,1269 2.058,1270 1.902,1271 1.874,1272 2.069,1273 2.033,1274 1.25,1275 2.049,1276 1.89,1277 1.874,1278 2.026,1279 1.979,1280 1.24,1281 1.996,1282 1.839,1283 1.774,1284 1.983,1285 1.973,1286 1.163,1287 1.976,1288 1.629,1289 1.569,1290 1.892,1291 1.802,1292 1.123,1293 1.836,1294 1.593,1295 1.559,1296 1.764,1297 1.75,1298 0.938,1299 1.759,1300 1.43,1301 1.359,1302 1.655,1303 1.624,1304 0.825,1305 1.635,1306 1.205,1307 1.138,1308 1.513,1309 1.464,1310 0.808,1311 1.482,1312 4.443,1314 5.733,1315 2.398,1316 7.209,1317 4.844,1318 8.766,1319 7.018,1320 10.368,1322 2.144,1328 13.146,1330 6.011,1333 4.887,1340 47.482,1341 100.411,1342 243.635,1343 349.884,1344 401.368,1345 421.997,1346 429.506,1347 64.414,1348 8.545,1349 32.78,1350 32.78,1351 29,1352 12.668,1353 4.392,1354 3.585,1355 59.637,1356 240,1357 248,1358 0.116,1359 289.323,1360 512.8,1361 697.708,1362 82817,1364 26.158,1365 0.688,1366 0.597,1367 26.158,1368 22.702,1369 18.636,1370 0.444,1371 0.338,1372 14.072,1373 18.222,1374 13.69,1375 11.381,1376 18.636,1377 14.187,1378 16.303,1379 0.291,1380 0.194,1381 16.303,1382 10.852,1383 13.429,1384 0.189,1385 0.108,1386 13.429,1387 7.653,1388 11.129,1389 0.122,1390 0.061,1391 11.129,1392 5.58,1393 9.063,1394 0.081,1395 0.035,1396 9.063,1397 3.9,1398 0.192,1399 114.612,1400 0.186,1401 35.998,1402 0.289,1403 196,1404 446.761,1405 205.477,1406 440.154,1407 609.15,1408 416,1409 225,1410 442.964,1411 235.644,1412 458.004,1413 665.26,1414 430,1415 6.745}
{0 CHEMBL59790,1 1.376,2 11.042,3 2.404,4 5.781,5 95.217,6 6.569,7 0.48,8 3.966,9 4.088,10 3.418,11 3.455,12 5.019,13 3.416,14 4.515,15 4.718,16 3.734,17 3.829,18 5.458,19 3.777,20 4.711,21 4.885,22 3.834,23 4.044,24 5.753,25 3.946,26 4.92,27 5.168,28 3.704,29 4.06,30 5.847,31 3.911,32 4.857,33 5.123,34 3.521,35 3.931,36 5.764,37 3.758,38 4.637,39 4.913,40 3.397,41 3.71,42 5.565,43 3.558,44 4.409,45 4.628,46 3.289,47 3.589,48 5.397,49 3.471,50 4.483,51 4.751,52 3.209,53 3.585,54 5.318,55 3.421,56 0.028,57 0.658,58 11.637,59 4.871,60 9.131,61 6.623,62 0.249,63 1.034,64 21.254,65 7.435,66 19.596,67 10.4,68 0.259,69 1.263,70 25.322,71 10.257,72 33.332,73 13.979,74 0.271,75 1.416,76 31.679,77 12.02,78 48.079,79 16.887,80 0.386,81 1.279,82 30.01,83 11.141,84 52.316,85 15.776,86 0.322,87 1.028,88 24.097,89 8.703,90 43.772,91 12.491,92 0.232,93 0.852,94 19.175,95 6.946,96 33.896,97 9.56,98 0.237,99 0.892,100 20.497,101 7.629,102 29.733,103 10.879,104 46,105 35,106 0.235,107 0.51,108 0.668,109 0.742,110 0.749,111 0.756,112 3.227,113 0.983,114 -0.85,115 -0.96,116 -1.07,121 40,123 2,126 5,144 7,145 2,146 3,159 1,176 9,180 4,187 10,189 2,191 1,192 7,200 10,203 2,206 4,214 6,216 1,218 1,219 3,227 5,229 1,231 1,232 4,239 7,241 1,244 2,251 6,256 3,258 1,264 2,266 1,269 4,279 2,281 798,282 15.643,283 15.643,284 15.643,285 15.643,286 15.643,287 14.142,288 19.757,289 8.971,290 16.084,291 12.161,292 12.161,293 12.161,294 12.161,295 12.161,296 9.704,297 22.192,298 4.037,299 12.686,300 4.268,301 2.655,302 1.729,303 1.296,304 1.256,305 1.216,306 3.885,310 1,311 1,312 1,313 539,314 3.937,318 181.825,325 1.715,326 19.423,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 51.5,338 265,339 4.439,340 3.653,341 7.111,342 4.233,343 3.313,344 3.97,345 1.277,346 11.657,347 3.054,348 4.325,349 3.61,350 6.238,351 3.941,352 2.96,353 3.834,354 1.2,355 9.347,356 2.922,357 3.904,358 3.16,359 5.89,360 3.583,361 2.599,362 3.246,363 0.86,364 8.101,365 2.533,366 3.788,367 2.692,368 5.351,369 3.434,370 2.442,371 3.14,372 0.86,373 6.991,374 2.409,375 2.975,376 2.197,377 4.589,378 2.646,379 1.668,380 2.087,382 4.733,383 1.628,384 2.919,385 1.936,386 4.404,387 2.522,388 1.61,389 2.057,391 4.198,392 1.461,393 2.837,394 1.798,395 4.151,396 2.415,397 1.406,398 1.892,400 3.684,401 1.409,402 2.5,403 1.074,404 3.414,405 2,406 1,407 1.5,409 2.275,410 1,411 1.894,412 1.031,413 3.149,414 1.627,415 0.699,416 0.811,418 1.373,419 0.638,420 1.773,421 1,422 2.986,423 1.465,424 0.479,425 0.576,427 0.979,428 0.467,429 1.451,430 0.934,431 2.714,432 1.178,433 0.316,434 0.35,436 0.427,437 0.271,438 0.932,439 0.184,440 2.514,441 0.592,442 -0.397,443 -0.48,445 -0.838,446 -0.384,447 0.821,448 -0.009,449 2.318,450 0.429,451 -0.528,452 -0.662,454 -1.036,455 -0.496,456 0.583,457 -0.513,458 2.091,459 0.135,460 -0.833,461 -1,463 -2.218,464 -0.798,465 0.5,466 -0.6,467 2,469 -1,470 -1,472 -2.903,473 -0.9,474 11.4,475 0.475,476 0.74,477 0.031,478 29.25,479 1.219,480 14.5,481 0.604,482 14.75,483 0.615,484 19.317,485 0.805,486 27.3,487 0.546,488 22.552,489 0.94,490 6.163,491 0.257,492 5.183,493 0.216,494 0.249,495 0.035,496 0.263,501 0.807,502 1.496,503 0.907,504 1.3,505 0.649,506 1.141,507 1.33,508 0.737,509 0.903,510 0.686,511 0.72,512 0.708,513 0.875,514 1.29,515 1.133,516 1.298,517 1.028,518 1.259,519 0.914,520 1.078,521 1.029,522 1.11,523 1.169,524 1.091,525 0.845,526 1.003,527 0.995,528 1.039,529 0.905,530 1.044,531 0.748,532 0.884,533 0.837,534 0.899,535 1.008,536 0.882,537 1.406,538 1.025,539 1.195,540 1.042,541 1.842,542 1.083,543 0.787,544 0.962,545 0.935,546 0.983,547 1.066,548 0.986,549 6.5,550 0.12,551 3.556,552 1.438,553 1.276,554 1.056,555 0.345,556 0.208,557 0.279,558 0.193,559 6261,560 14322,561 1.916,562 52,563 2,564 22,568 2,572 1.663,573 1.745,574 3.422,575 -0.823,576 1,577 1,582 68.788,583 1.376,584 2.988,585 3.915,586 4.348,587 4.388,588 4.428,589 2.907,590 4.137,591 4.558,592 3.618,593 998.698,594 7.833,595 12243.5,597 1,599 1,600 282.193,601 1.707,602 4.473,603 0.26,604 0.007,605 0.102,606 0.04,607 0.043,608 0.044,609 0.016,610 0.01,611 0.016,612 0.01,613 0.547,614 0.5,615 1,616 1.066,617 116.418,618 0.019,619 -0.268,620 0.06,621 -0.148,622 -0.039,623 -0.057,624 -0.161,625 0.39,626 0.118,627 0.319,628 0.013,629 0.275,630 0.046,631 -0.185,632 -0.165,633 -0.21,634 -0.018,635 -0.215,636 -0.042,637 -0.099,638 -0.068,639 -0.109,640 -0.07,641 -0.093,642 0.061,643 -0.07,644 -0.031,645 -0.061,646 0.055,647 -0.06,648 0.134,649 0.053,650 0.131,651 0.062,652 0.173,653 0.093,654 -0.193,655 -0.015,656 -0.187,657 -0.041,658 -0.196,659 -0.103,660 0.049,661 -0.013,662 0.024,663 -0.005,664 -0.059,665 0.001,666 1.563,667 5.413,668 0.5,669 21.958,670 0.993,671 1.126,672 -0.376,673 0.141,674 0.638,675 3.258,676 3.584,677 3.761,678 3.871,679 4.043,680 4.078,681 4.007,682 3.807,683 3.951,684 3.951,685 6.635,686 0.595,687 328.47,688 3.258,689 4.796,690 5.617,691 6.482,692 7.321,693 8.185,694 9.028,695 9.891,696 10.736,697 11.598,698 2,712 1,715 7,720 5,722 12,727 1,739 2,741 50,743 13,744 2,745 25,747 51,748 20,749 12,750 5,751 7,752 1,756 2,757 2,770 2,772 13,773 7,777 1,782 1,786 1,789 1,790 1,793 26,794 3,796 4,802 1,803 1,807 1,808 1,809 3,829 2,859 2,864 5,868 24,876 2,878 2,883 1,893 6,896 1,898 2,901 13.75,902 10.583,903 5.389,904 2.896,907 2.131,908 1.325,909 0.906,910 5.894,911 8.693,912 3.497,913 4.06,914 4.57,915 5.012,916 5.515,917 5.623,918 5.698,919 5.443,920 5.786,921 6.031,922 1,923 36,924 8.864,926 3.55,927 0.026,929 7.688,931 17.029,933 13.255,936 2.188,937 52.5,940 1,941 306.049,942 143.106,945 47.145,948 143.106,949 353.193,951 46.955,952 5.069,953 66.334,954 30.278,955 41.615,957 306.049,959 306.049,960 143.106,961 47.145,964 306.049,965 47.145,968 5.069,969 138.037,972 306.049,973 47.145,974 143.106,977 306.049,978 29.817,979 113.289,981 47.145,982 306.049,983 47.145,984 143.106,986 0.586,987 0.337,988 0.158,989 0.082,990 15,991 8,992 0.137,993 7,995 1,996 3.536,997 178.585,999 12,1000 101.284,1005 18.34,1006 7.713,1007 4.75,1009 47.145,1010 13.723,1015 4.266,1018 496.3,1019 32,1024 12.413,1028 0.103,1031 49.629,1032 56.317,1034 0.244,1035 0.53,1036 0.694,1037 0.77,1038 0.777,1039 0.785,1040 4.736,1041 1,1042 5.652,1043 3.684,1044 4.263,1045 4.745,1046 2.213,1047 6.482,1048 4.191,1049 5.962,1050 0.699,1051 7.246,1052 2.275,1053 4.111,1054 4.649,1055 0.931,1056 7.695,1057 3.965,1058 7.287,1059 0.479,1060 8.953,1061 1.373,1062 5.948,1063 6.908,1064 2.367,1065 10.627,1066 5.794,1067 8.648,1068 0.316,1069 10.726,1070 0.979,1071 6.567,1072 7.538,1073 1.241,1074 12.608,1075 6.315,1076 10.037,1077 -0.397,1078 12.541,1079 0.427,1080 7.955,1081 9.339,1082 2.661,1083 15.166,1084 7.689,1085 11.445,1086 -0.528,1087 14.385,1088 -0.838,1089 8.887,1090 10.294,1091 1.521,1092 17.428,1093 8.52,1094 12.866,1095 -0.833,1096 16.251,1097 -1.036,1098 10.123,1099 11.894,1100 3.029,1101 19.889,1102 9.723,1103 3.313,1104 -1,1105 18.132,1106 -2.218,1107 11.189,1108 13.019,1109 1.818,1110 22.259,1111 10.692,1112 2.96,1113 11.657,1114 20.026,1115 -2.903,1116 12.375,1117 14.516,1118 3.441,1119 24.7,1120 11.827,1121 2.599,1122 9.347,1123 21.931,1124 3.97,1125 13.5,1126 15.737,1127 2.132,1128 27.115,1129 12.861,1130 2.442,1131 8.101,1132 23.844,1133 3.834,1134 14.674,1135 17.177,1136 3.879,1137 29.556,1138 13.969,1139 1.668,1140 6.991,1141 25.764,1142 3.246,1143 15.827,1144 18.456,1145 2.46,1146 31.99,1147 15.034,1148 1.61,1149 4.733,1150 27.689,1151 3.14,1152 17,1153 19.864,1154 4.331,1155 34.435,1156 16.133,1157 1.406,1158 4.198,1159 29.62,1160 2.087,1161 18.168,1162 21.177,1163 2.798,1164 36.879,1165 17.215,1166 6405,1167 9847,1168 15.603,1169 31.887,1170 37.449,1171 38.425,1172 38.565,1173 36.968,1174 36.985,1175 46.925,1176 8.395,1177 107.532,1178 35.583,1179 5.311,1180 5.653,1181 6.664,1182 5.233,1183 5.313,1184 6.97,1185 2.555,1186 18.533,1187 5.054,1188 15.547,1189 1.498,1190 1.537,1191 1.543,1192 1.479,1193 1.479,1194 1.877,1195 0.336,1196 4.301,1197 1.423,1198 4.016,1199 4.056,1200 3.951,1201 3.926,1202 7.427,1203 3.927,1204 3.926,1205 3.945,1206 3.876,1207 3.837,1208 4.922,1209 3.842,1210 3.663,1211 3.731,1212 3.538,1213 3.472,1214 4.752,1215 3.478,1216 3.46,1217 3.498,1218 3.359,1219 3.276,1220 4.496,1221 3.285,1222 3.247,1223 3.314,1224 3.051,1225 2.977,1226 4.29,1227 2.98,1228 3.209,1229 3.282,1230 3.015,1231 2.948,1232 4.264,1233 2.955,1234 2.921,1235 3.009,1236 2.765,1237 2.749,1238 3.785,1239 2.74,1240 2.874,1241 3.009,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.178,1247 0.146,1248 0.284,1249 0.169,1250 0.133,1251 4.439,1252 0.159,1253 3.653,1254 0.051,1255 7.111,1256 0.466,1257 4.233,1258 0.122,1259 3.313,1260 3.97,1261 1.277,1262 11.657,1263 3.054,1264 1.97,1265 1.938,1266 2.097,1267 2.1,1268 1.294,1269 2.102,1270 1.893,1271 1.876,1272 1.99,1273 2.009,1274 1.155,1275 2.002,1276 1.633,1277 1.561,1278 1.871,1279 1.842,1280 1.039,1281 1.857,1282 1.419,1283 1.37,1284 1.658,1285 1.629,1286 0.803,1287 1.635,1288 1.192,1289 1.117,1290 1.576,1291 1.523,1292 0.574,1293 1.539,1294 1.182,1295 1.107,1296 1.55,1297 1.456,1298 0.573,1299 1.491,1300 0.934,1301 0.85,1302 1.417,1303 1.239,1304 0.469,1305 1.308,1306 0.934,1307 0.821,1308 1.417,1309 1.239,1310 0.469,1311 1.308,1312 3.932,1314 5.252,1316 6.765,1318 8.356,1320 9.985,1322 9.557,1328 1.198,1330 10.457,1335 0.783,1340 29.751,1341 68.788,1342 149.424,1343 195.747,1344 217.399,1345 219.399,1346 221.399,1347 50.058,1348 6.562,1349 35.53,1350 35.53,1351 12,1352 12.15,1353 3.807,1354 3,1355 48.812,1356 97,1357 80,1358 0.249,1359 187.585,1360 328.25,1361 449.468,1362 5500,1364 17.742,1365 0.739,1366 0.633,1367 17.742,1368 15.18,1369 11.346,1370 0.454,1371 0.328,1372 8.04,1373 10.832,1374 7.635,1375 6.495,1376 11.346,1377 8.195,1378 10.548,1379 0.301,1380 0.198,1381 10.548,1382 6.94,1383 8.136,1384 0.194,1385 0.099,1386 8.136,1387 4.166,1388 5.969,1389 0.127,1390 0.055,1391 5.969,1392 2.583,1393 4.516,1394 0.081,1395 0.03,1396 4.516,1397 1.653,1398 0.4,1399 71.778,1400 0.253,1401 23.823,1402 0.656,1403 120,1404 333.539,1405 129.97,1406 316.243,1407 424.91,1408 296,1409 137,1410 301.699,1411 148.414,1412 311.773,1413 443.91,1414 287,1415 5.523}
{0 CHEMBL598632,1 1.349,2 14,3 5.431,4 29.497,5 125.954,6 7.13,7 0.529,8 4.136,9 4.242,10 3.675,11 3.724,12 5.217,13 3.688,14 4.665,15 4.834,16 3.997,17 4.104,18 5.662,19 4.053,20 4.842,21 5.001,22 4.082,23 4.251,24 5.88,25 4.167,26 5.028,27 5.263,28 3.997,29 4.242,30 5.956,31 4.127,32 4.953,33 5.163,34 3.959,35 4.202,36 5.951,37 4.094,38 4.961,39 5.201,40 3.836,41 4.19,42 5.913,43 4.041,44 4.872,45 5.135,46 3.669,47 4.05,48 5.758,49 3.896,50 4.592,51 4.813,52 3.574,53 3.868,54 5.531,55 3.741,56 0.028,57 0.732,58 12.081,59 5.706,60 9.229,61 7.334,62 0.224,63 1.224,64 22.748,65 9.153,66 21.214,67 11.87,68 0.215,69 1.441,70 26.459,71 11.701,72 27.402,73 15.376,74 0.282,75 1.702,76 34.817,77 13.683,78 45.61,79 18.573,80 0.404,81 1.562,82 32.008,83 12.62,84 50.021,85 16.692,86 0.318,87 1.572,88 32.393,89 13.51,90 52.189,91 18.548,92 0.266,93 1.423,94 30.479,95 12.262,96 45.771,97 16.885,98 0.135,99 1.095,100 21.848,101 9.235,102 31.13,103 12.51,104 21,105 47,106 0.219,107 0.518,108 0.689,109 0.779,110 0.809,111 0.82,112 3.471,113 0.916,114 -5.45,115 -5.33,116 -4.98,121 46.6,123 1,126 3,127 2,137 1,138 1,144 11,145 5,146 2,159 1,176 19,180 6,187 22,191 1,192 12,200 17,206 9,214 10,218 1,219 7,227 13,231 1,232 5,239 17,244 4,251 16,256 5,264 11,268 1,269 6,277 7,281 1662,282 21.204,283 21.204,284 21.204,285 21.204,286 21.204,287 18.769,288 25.286,289 12.494,290 21.622,291 16.681,292 16.681,293 16.681,294 16.681,295 16.681,296 12.839,297 34.857,298 5.824,299 17.139,300 4.509,301 2.663,302 1.605,303 1.052,304 0.867,305 0.798,306 4.168,311 1,312 1,313 938,314 3.536,317 75.759,318 322.583,321 143.728,325 2.258,326 21.823,329 0.75,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.86,337 65.5,338 434,339 4.566,340 3.712,341 6.724,342 4.227,343 3.222,344 4.214,345 0.995,346 10.926,347 3.24,348 4.143,349 3.172,350 6.107,351 3.742,352 2.771,353 3.725,354 0.86,355 8.884,356 2.702,357 4.003,358 3.042,359 5.632,360 3.663,361 2.699,362 3.47,363 0.86,364 7.765,365 2.593,366 3.915,367 2.721,368 5.532,369 3.54,370 2.551,371 3.445,372 0.68,373 7.374,374 2.517,375 3.617,376 2.603,377 5.36,378 3.27,379 2.287,380 2.938,381 0.359,382 6.855,383 2.244,384 3.326,385 2.438,386 5.134,387 2.954,388 1.974,389 2.55,391 6.037,392 1.933,393 3.176,394 2.197,395 4.878,396 2.849,397 1.872,398 2.339,400 5.409,401 1.817,402 3.07,403 2.128,404 4.612,405 2.717,406 1.743,407 2.22,409 4.915,410 1.696,411 2.778,412 1.892,413 4.248,414 2.378,415 1.389,416 1.856,418 3.52,419 1.371,420 2.652,421 1.49,422 3.571,423 2.274,424 1.335,425 1.591,427 2.992,428 1.235,429 2.5,430 1.27,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.5,439 1.012,440 3.278,441 2,442 1,443 1.5,445 2.136,446 1,447 1.981,448 1,449 3.247,450 1.555,451 0.591,452 0.771,454 1.252,455 0.559,456 1.516,457 1,458 2.982,459 1.259,460 0.375,461 0.41,463 0.642,464 0.321,465 1.434,466 0.553,467 2.826,468 1.19,469 0.245,470 0.283,472 0.47,473 0.235,474 14.9,475 0.481,476 0.691,477 0.022,478 41,479 1.323,480 22,481 0.71,482 19,483 0.613,484 24.705,485 0.797,486 32.5,487 0.56,488 31.997,489 1.032,490 8.571,491 0.276,492 6.496,493 0.21,494 0.123,496 0.329,501 0.756,502 1.184,503 0.81,504 1.073,505 0.615,506 0.967,507 1.276,508 0.789,509 0.92,510 0.759,511 0.772,512 0.778,513 0.776,514 1.298,515 1.058,516 1.263,517 0.84,518 1.207,519 1.007,520 1.021,521 0.96,522 0.986,523 1.174,524 0.967,525 1.182,526 1.021,527 1.102,528 1.03,529 1.034,530 1.05,531 0.648,532 1.019,533 0.982,534 1.058,535 0.921,536 1.062,537 0.843,538 0.854,539 0.916,540 0.882,541 1.271,542 0.906,543 0.787,544 1.122,545 1.002,546 1.119,547 1.119,548 1.095,549 6.5,550 0.192,551 2.889,552 2.451,553 1.738,554 1.219,555 0.701,556 0.249,557 0.315,558 0.154,559 14711,560 35102,561 2.084,562 46.6,563 2,564 25,572 1.73,573 1.958,574 3.746,575 -0.863,582 78.244,583 1.349,584 3.195,585 4.253,586 4.806,587 4.991,588 5.06,589 3.256,590 4.632,591 4.923,592 3.949,593 1836.39,594 8.566,595 27565.4,600 339.763,601 1.383,602 4.888,603 0.191,604 0.008,605 0.061,606 0.051,607 0.04,608 0.03,609 0.019,610 0.008,611 0.011,612 0.006,613 0.427,614 0.33,615 0.88,616 0.796,617 164.754,618 0.016,619 -0.11,620 0.064,621 -0.05,622 -0.021,623 0.001,624 -0.158,625 0.283,626 0.037,627 0.219,628 -0.045,629 0.168,630 0.099,631 -0.279,632 -0.138,633 -0.257,634 0.039,635 -0.233,636 -0.033,637 -0.026,638 0.029,639 -0.013,640 -0.041,641 0.012,642 -0.017,643 -0.026,644 -0.11,645 -0.054,646 0.009,647 -0.086,648 0.102,649 -0.059,650 -0.018,651 -0.062,652 0.113,653 -0.055,654 -0.029,655 0.094,656 0.073,657 0.107,658 -0.047,659 0.103,660 -0.006,661 -0.148,662 -0.048,663 -0.122,664 -0.098,665 -0.096,666 1.609,667 5.884,668 0.677,669 37.253,670 0.993,671 1.112,672 4.222,673 17.823,674 0.677,675 3.555,676 3.871,677 4.143,678 4.407,679 4.625,680 4.682,681 4.836,682 4.934,683 4.942,684 5.011,685 8.188,686 0.638,687 413.55,688 3.555,689 5.094,690 5.943,691 6.819,692 7.686,693 8.568,694 9.444,695 10.331,696 11.213,697 12.104,698 1.7,701 1,715 11,720 7,722 18,727 1,739 2,741 58,743 20,744 3,745 34,747 61,748 27,749 18,750 7,751 11,752 3,756 4,757 5,767 1,770 1,772 21,773 6,777 2,782 1,784 1,786 2,793 27,794 4,796 4,802 1,808 0.75,809 3,828 1,829 3,832 1,849 1,850 1,855 1,859 3,864 3,868 31,876 3,878 2,881 1,893 5.2,896 1,898 2,901 15.833,902 11.45,903 6.944,904 3.275,907 3.861,908 1.49,909 0.985,910 6.431,911 11.746,912 3.829,913 4.413,914 4.985,915 5.529,916 6.074,917 6.277,918 6.651,919 7.003,920 7.299,921 7.683,922 1,923 48,924 11.461,926 4.782,927 0.026,929 7.613,931 22.182,933 18.034,936 2.113,937 65.5,941 317.82,942 185.357,943 3.124,945 47.145,948 185.357,949 364.964,950 3.124,951 30.162,952 6.746,953 113.715,954 30.278,955 54.724,957 317.82,959 317.82,960 188.481,961 47.145,964 317.82,965 47.145,968 9.87,969 169.135,970 9.476,972 317.82,973 50.269,974 185.357,977 317.82,978 41.48,979 147.002,981 47.145,982 317.82,983 50.269,984 185.357,986 0.575,987 0.342,988 0.188,989 0.102,990 22,991 10,992 0.115,993 7,994 1,995 1.095,996 4.334,997 271.045,998 0.095,999 21,1000 145.58,1005 21.203,1006 9.403,1007 4.832,1009 50.269,1010 22.575,1015 6.495,1018 553.446,1019 45,1024 12.884,1026 1.985,1028 0.849,1031 57.571,1032 64.524,1034 0.23,1035 0.545,1036 0.726,1037 0.82,1038 0.852,1039 0.864,1040 5.059,1041 1.743,1042 5.922,1043 5.409,1044 4.554,1045 5.1,1046 1.936,1047 6.72,1048 4.513,1049 6.261,1050 1.389,1051 7.471,1052 4.915,1053 4.111,1054 4.832,1055 0.325,1056 7.57,1057 4.063,1058 7.562,1059 1.335,1060 9.117,1061 3.52,1062 6.138,1063 7.26,1064 1.623,1065 10.666,1066 6.075,1067 8.898,1068 1,1069 10.819,1070 2.992,1071 6.509,1072 7.784,1073 0.504,1074 12.347,1075 6.445,1076 10.264,1077 1,1078 12.557,1079 2.275,1080 7.996,1081 9.685,1082 1.392,1083 14.962,1084 7.925,1085 11.652,1086 0.591,1087 14.322,1088 2.136,1089 8.757,1090 10.599,1091 0.585,1092 17.022,1093 8.692,1094 13.058,1095 0.375,1096 16.106,1097 1.252,1098 10.025,1099 12.261,1100 1.216,1101 19.474,1102 9.96,1103 3.222,1104 0.245,1105 17.907,1106 0.642,1107 10.982,1108 13.389,1109 0.622,1110 21.71,1111 10.927,1112 2.771,1113 10.926,1114 19.721,1115 0.47,1116 12.162,1117 14.929,1118 1.081,1119 24.109,1120 12.113,1121 2.699,1122 8.884,1123 21.547,1124 4.214,1125 13.215,1126 16.181,1127 0.639,1128 26.426,1129 13.179,1130 2.551,1131 7.765,1132 23.382,1133 3.725,1134 14.366,1135 17.659,1136 0.976,1137 28.81,1138 14.339,1139 2.287,1140 7.374,1141 25.227,1142 3.47,1143 15.468,1144 18.983,1145 0.646,1146 31.164,1147 15.454,1148 1.974,1149 6.855,1150 27.079,1151 3.445,1152 16.613,1153 20.431,1154 0.895,1155 33.547,1156 16.61,1157 1.872,1158 6.037,1159 28.938,1160 2.938,1161 17.74,1162 21.798,1163 0.648,1164 35.918,1165 17.751,1166 13963,1167 21725,1168 22.77,1169 39.267,1170 50.652,1171 52.104,1172 52.149,1173 50.03,1174 50.11,1175 65.626,1176 7.507,1177 142.9,1178 48.926,1179 5.429,1180 5.712,1181 6.526,1182 5.235,1183 5.222,1184 7.214,1185 1.855,1186 18.021,1187 5.24,1188 15.03,1189 1.49,1190 1.532,1191 1.534,1192 1.471,1193 1.474,1194 1.93,1195 0.221,1196 4.203,1197 1.439,1198 4.068,1199 4.084,1200 4.027,1201 4.007,1202 7.427,1203 4.008,1204 3.939,1205 3.971,1206 3.873,1207 3.868,1208 4.921,1209 3.865,1210 3.877,1211 3.904,1212 3.811,1213 3.826,1214 4.774,1215 3.819,1216 3.58,1217 3.623,1218 3.508,1219 3.439,1220 4.728,1221 3.449,1222 3.467,1223 3.519,1224 3.347,1225 3.27,1226 4.495,1227 3.279,1228 3.25,1229 3.315,1230 3.063,1231 2.977,1232 4.349,1233 2.976,1234 3.157,1235 3.226,1236 3.002,1237 2.963,1238 4.193,1239 2.972,1240 2.989,1241 3.061,1242 2.846,1243 2.839,1244 3.958,1245 2.821,1246 0.134,1247 0.109,1248 0.198,1249 0.124,1250 0.095,1251 4.566,1252 0.124,1253 3.712,1254 0.029,1255 6.724,1256 0.321,1257 4.227,1258 0.095,1259 3.222,1260 4.214,1261 0.995,1262 10.926,1263 3.24,1264 1.956,1265 1.93,1266 2.073,1267 2.047,1268 1.241,1269 2.058,1270 1.902,1271 1.874,1272 2.026,1273 1.979,1274 1.167,1275 1.996,1276 1.88,1277 1.872,1278 1.955,1279 1.977,1280 1.125,1281 1.968,1282 1.594,1283 1.562,1284 1.765,1285 1.751,1286 0.938,1287 1.76,1288 1.431,1289 1.36,1290 1.659,1291 1.626,1292 0.802,1293 1.637,1294 1.233,1295 1.185,1296 1.574,1297 1.521,1298 0.585,1299 1.537,1300 1.188,1301 1.111,1302 1.562,1303 1.519,1304 0.574,1305 1.53,1306 1.031,1307 0.974,1308 1.368,1309 1.223,1310 0.525,1311 1.279,1312 4.234,1314 5.549,1315 2.398,1316 7.057,1317 4.844,1318 8.65,1319 7.018,1320 10.29,1322 5.315,1328 2.387,1330 10.718,1333 2.292,1340 37.014,1341 78.244,1342 185.331,1343 246.69,1344 278.743,1345 289.498,1346 293.498,1347 51.332,1348 7.884,1349 38.77,1350 38.77,1351 23,1352 12.635,1353 4.392,1354 3.585,1355 49.856,1356 154,1357 150,1358 0.157,1359 226.772,1360 401.85,1361 545.083,1362 31894,1364 21.794,1365 0.703,1366 0.588,1367 21.794,1368 18.221,1369 15.067,1370 0.443,1371 0.305,1372 10.253,1373 14.591,1374 9.851,1375 8.261,1376 15.067,1377 10.387,1378 13.29,1379 0.283,1380 0.169,1381 13.29,1382 7.939,1383 11.324,1384 0.183,1385 0.09,1386 11.324,1387 5.595,1388 9.458,1389 0.117,1390 0.05,1391 9.458,1392 4.037,1393 7.641,1394 0.076,1395 0.027,1396 7.641,1397 2.735,1398 0.255,1399 93.908,1400 0.21,1401 29.799,1402 0.407,1403 162,1404 438.852,1405 171.609,1406 424.903,1407 581.54,1408 400,1409 190,1410 417.488,1411 200.914,1412 435.055,1413 629.53,1414 403,1415 5.943}
{0 CHEMBL598645,1 1.288,2 18.135,3 6.926,4 47.972,5 156.515,6 6.451,7 0.45,8 4.39,9 4.518,10 3.836,11 3.958,12 5.361,13 3.896,14 4.955,15 5.157,16 4.14,17 4.341,18 5.839,19 4.253,20 5.2,21 5.424,22 4.19,23 4.487,24 6.063,25 4.363,26 5.319,27 5.582,28 4.101,29 4.49,30 6.125,31 4.331,32 5.282,33 5.549,34 4.08,35 4.459,36 6.121,37 4.296,38 5.255,39 5.528,40 4.003,41 4.423,42 6.052,43 4.252,44 5.143,45 5.407,46 3.945,47 4.318,48 5.973,49 4.165,50 4.993,51 5.234,52 3.889,53 4.225,54 5.842,55 4.088,56 0.075,57 1.027,58 17.88,59 7.755,60 10.959,61 10.763,62 0.251,63 1.714,64 32.372,65 12.392,66 24.932,67 17.675,68 0.298,69 2.081,70 41.353,71 16.361,72 36.494,73 23.083,74 0.365,75 2.239,76 46.81,77 18.263,78 49.579,79 25.946,80 0.474,81 2.146,82 45.046,83 17.881,84 58.16,85 25.446,86 0.297,87 2.056,88 43.549,89 17.845,90 48.038,91 25.153,92 0.322,93 1.835,94 39.287,95 15.598,96 46.942,97 21.826,98 0.278,99 1.624,100 33.754,101 13.338,102 36.756,103 18.651,104 27,105 53,106 0.198,107 0.486,108 0.713,109 0.802,110 0.827,111 0.831,112 3.641,113 1.02,114 -6.33,115 -6.17,116 -5.73,121 42.9,122 2,123 3,126 1,127 6,137 1,138 1,144 12,145 5,146 1,159 1,176 21,180 10,187 24,192 12,200 19,206 7,214 16,218 2,219 7,227 20,232 4,239 21,244 8,251 21,256 6,264 16,268 1,269 5,277 14,281 3189,282 25.394,283 25.394,284 25.394,285 25.394,286 25.394,287 22.959,288 31.543,289 15.335,290 25.793,291 19.66,292 19.66,293 19.66,294 19.66,295 19.66,296 15.939,297 40.477,298 7.222,299 20.192,300 4.978,301 3.104,302 1.625,303 1.047,304 0.887,305 0.861,306 4.338,312 1,313 1422,314 4.472,317 99.316,318 407.662,321 184.151,325 3.335,326 22.056,329 0.75,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.71,337 77,338 671,339 4.53,340 3.705,341 6.698,342 4.201,343 3.19,344 4.136,345 0.995,346 10.816,347 3.225,348 4.088,349 3.042,350 5.686,351 3.712,352 2.732,353 3.694,354 0.86,355 7.845,356 2.686,357 3.93,358 2.9,359 5.574,360 3.573,361 2.589,362 3.455,363 0.8,364 7.567,365 2.548,366 3.833,367 2.781,368 5.392,369 3.429,370 2.462,371 3.261,372 0.68,373 7.07,374 2.389,375 3.562,376 2.721,377 5.271,378 3.365,379 2.439,380 2.857,381 0.359,382 6.646,383 2.25,384 3.446,385 2.61,386 5.236,387 3.23,388 2.26,389 2.553,391 6.62,392 2.185,393 3.326,394 2.441,395 5.122,396 2.963,397 1.986,398 2.445,400 5.994,401 1.934,402 3.134,403 2.137,404 4.765,405 2.829,406 1.849,407 2.261,409 5.043,410 1.798,411 2.994,412 1.925,413 4.605,414 2.635,415 1.644,416 2.12,418 4.811,419 1.625,420 2.772,421 1.715,422 3.71,423 2.553,424 1.567,425 1.849,427 3.302,428 1.54,429 2.637,430 1.489,431 3.574,432 2.375,433 1.386,434 1.64,436 2.992,437 1.369,438 2.5,439 1.319,440 3.54,441 2,442 1,443 1.5,445 2.275,446 1,447 2.5,448 1.167,449 3.414,450 2,451 1,452 1.5,454 2.136,455 1,456 2.396,457 1,458 3.247,459 1.876,460 0.906,461 1.204,463 2.055,464 0.868,465 1.951,466 1,467 3.183,468 1.786,469 0.783,470 0.912,472 1.807,473 0.781,474 17.967,475 0.486,476 0.708,477 0.019,478 43.75,479 1.182,480 21.5,481 0.581,482 22.25,483 0.601,484 35.823,485 0.968,486 40.233,487 0.523,488 34.077,489 0.921,490 8.619,491 0.233,492 9.431,493 0.255,494 0.102,496 0.267,501 0.769,502 1.31,503 0.933,504 1.156,505 0.636,506 1.071,507 1.256,508 0.983,509 1.019,510 0.932,511 0.69,512 0.938,513 1.178,514 1.104,515 1.076,516 1.09,517 0.874,518 1.073,519 1.157,520 1.001,521 1.01,522 0.994,523 1.19,524 0.991,525 0.818,526 0.934,527 0.939,528 0.968,529 0.837,530 0.964,531 0.901,532 0.934,533 0.91,534 0.966,535 1.063,536 0.948,537 1.283,538 0.903,539 0.949,540 0.911,541 1.286,542 0.911,543 1.369,544 0.997,545 1.033,546 0.983,547 1.18,548 0.986,549 7,550 0.262,551 2.889,552 2.389,553 1.507,554 1.049,555 0.692,556 0.365,557 0.379,558 0.224,559 25621,560 50332,561 2.071,562 51.9,563 2,564 28,569 10,572 1.774,573 1.965,574 4.094,575 -0.885,582 99.2,583 1.288,584 3.163,585 4.641,586 5.22,587 5.38,588 5.406,589 3.614,590 4.453,591 5.171,592 4.327,593 2881.81,594 9.066,595 52529,600 482.543,601 1.283,602 5.153,603 0.175,604 0.007,605 0.055,606 0.045,607 0.032,608 0.023,609 0.016,610 0.009,611 0.01,612 0.006,613 0.378,614 0.33,615 0.63,616 1.56,617 211.653,618 0.046,619 -0.137,620 0.061,621 -0.048,622 -0.01,623 -0.002,624 -0.105,625 0.144,626 0.001,627 0.078,628 0.017,629 0.058,630 -0.061,631 -0.058,632 -0.072,633 -0.081,634 0.031,635 -0.076,636 -0.049,637 -0.019,638 -0.014,639 -0.014,640 -0.03,641 -0.011,642 0.178,643 0.04,644 0.047,645 0.017,646 0.138,647 0.022,648 0.018,649 0.01,650 0.065,651 0.029,652 0.021,653 0.047,654 -0.055,655 0.048,656 0.051,657 0.076,658 -0.046,659 0.072,660 -0.095,661 -0.006,662 -0.025,663 0.016,664 -0.089,665 0.002,666 1.548,667 6.121,668 0.568,669 65.188,670 0.982,671 1.121,672 5.104,673 26.048,674 0.654,675 3.714,676 3.989,677 4.22,678 4.443,679 4.635,680 4.663,681 4.828,682 4.977,683 5.03,684 5.147,685 10.386,686 0.604,687 496.75,688 3.714,689 5.231,690 6.057,691 6.909,692 7.752,693 8.613,694 9.468,695 10.336,696 11.199,697 12.073,698 2.6,701 2,715 12,720 6,722 18,727 1,739 1,741 77,743 20,744 3,745 40,747 80,748 33,749 18,750 6,751 12,752 3,756 4,757 5,763 2,767 1,770 3,772 21,773 12,777 2,782 1,784 1,786 2,793 40,794 4,796 4,802 2,808 0.75,809 2,828 1,829 3,832 1,849 1,850 1,855 2,859 3,864 3,868 37,876 9,878 1,881 2,893 2.6,896 1,898 1,901 18.833,902 14.567,903 8.417,904 5.082,907 3.86,908 1.467,909 0.969,910 9.846,911 12.127,912 3.951,913 4.472,914 4.992,915 5.507,916 6.036,917 6.189,918 6.588,919 6.983,920 7.282,921 7.67,922 1,923 53,924 13.75,926 5.64,927 0.026,929 7.482,931 27.186,933 22.087,936 1.982,937 73.333,941 470.844,942 201.453,943 6.249,945 36.145,948 201.453,949 506.989,950 6.249,951 26.047,952 22.725,953 123.191,954 30.278,955 41.605,957 470.844,959 470.844,960 207.701,961 36.145,964 353.133,965 153.856,968 46.624,969 151.602,970 9.476,972 470.844,973 42.393,974 201.453,977 470.844,978 52.215,979 155.487,981 36.145,982 470.844,983 42.393,984 201.453,986 0.565,987 0.326,988 0.171,989 0.088,990 22,991 10,992 0.163,993 13,994 1,995 1.095,996 5.003,997 326.304,998 0.095,999 21,1000 176.75,1005 27.008,1006 13.489,1007 7.723,1009 42.393,1010 25.044,1015 6.306,1018 714.69,1019 51,1024 13.121,1026 2.035,1028 0.967,1031 75.647,1032 86.304,1034 0.206,1035 0.505,1036 0.741,1037 0.833,1038 0.859,1039 0.863,1040 5.168,1041 1.849,1042 6.009,1043 5.994,1044 4.673,1045 5.159,1046 1.858,1047 6.756,1048 4.631,1049 6.333,1050 1.644,1051 7.525,1052 5.043,1053 4.111,1054 4.771,1055 0.57,1056 7.513,1057 4.056,1058 7.607,1059 1.567,1060 9.137,1061 4.811,1062 6.205,1063 7.242,1064 1.49,1065 10.595,1066 6.135,1067 8.915,1068 1.386,1069 10.807,1070 3.302,1071 6.479,1072 7.674,1073 0.674,1074 12.221,1075 6.417,1076 10.257,1077 1,1078 12.517,1079 2.992,1080 8.002,1081 9.61,1082 1.248,1083 14.821,1084 7.931,1085 11.622,1086 1,1087 14.256,1088 2.275,1089 8.691,1090 10.453,1091 0.694,1092 16.858,1093 8.644,1094 13.007,1095 0.906,1096 16.017,1097 2.136,1098 9.974,1099 12.138,1100 1.08,1101 19.301,1102 9.926,1103 3.19,1104 0.783,1105 17.798,1106 2.055,1107 10.882,1108 13.212,1109 0.692,1110 21.533,1111 10.865,1112 2.732,1113 10.816,1114 19.595,1115 1.807,1116 12.064,1117 14.765,1118 0.96,1119 23.928,1120 12.055,1121 2.589,1122 7.845,1123 21.406,1124 4.136,1125 13.087,1126 15.974,1127 0.684,1128 26.245,1129 13.107,1130 2.462,1131 7.567,1132 23.23,1133 3.694,1134 14.233,1135 17.455,1136 0.874,1137 28.627,1138 14.268,1139 2.439,1140 7.07,1141 25.066,1142 3.455,1143 15.316,1144 18.745,1145 0.674,1146 30.981,1147 15.376,1148 2.26,1149 6.646,1150 26.911,1151 3.261,1152 16.454,1153 20.189,1154 0.81,1155 33.36,1156 16.531,1157 1.986,1158 6.62,1159 28.766,1160 2.857,1161 17.568,1162 21.527,1163 0.666,1164 35.729,1165 17.667,1166 24614,1167 34728,1168 26.929,1169 50.387,1170 58.344,1171 59.282,1172 59.634,1173 57.802,1174 57.776,1175 73.1,1176 7.387,1177 157.752,1178 56.524,1179 5.466,1180 5.705,1181 6.5,1182 5.26,1183 5.19,1184 7.136,1185 1.855,1186 17.865,1187 5.225,1188 17.499,1189 1.459,1190 1.482,1191 1.491,1192 1.445,1193 1.444,1194 1.828,1195 0.185,1196 3.944,1197 1.413,1198 4.068,1199 4.087,1200 4.021,1201 4.009,1202 7.427,1203 4.008,1204 3.938,1205 3.971,1206 3.87,1207 3.869,1208 4.843,1209 3.865,1210 3.877,1211 3.906,1212 3.81,1213 3.826,1214 4.765,1215 3.819,1216 3.782,1217 3.855,1218 3.64,1219 3.606,1220 4.726,1221 3.603,1222 3.588,1223 3.643,1224 3.487,1225 3.438,1226 4.377,1227 3.442,1228 3.518,1229 3.594,1230 3.368,1231 3.353,1232 4.303,1233 3.342,1234 3.416,1235 3.463,1236 3.286,1237 3.257,1238 4.204,1239 3.259,1240 3.306,1241 3.407,1242 3.04,1243 3.123,1244 4.023,1245 3.089,1246 0.113,1247 0.093,1248 0.167,1249 0.105,1250 0.08,1251 4.53,1252 0.103,1253 3.705,1254 0.025,1255 6.698,1256 0.27,1257 4.201,1258 0.081,1259 3.19,1260 4.136,1261 0.995,1262 10.816,1263 3.225,1264 1.956,1265 1.93,1266 2.073,1267 2.047,1268 1.312,1269 2.058,1270 1.902,1271 1.874,1272 2.026,1273 1.991,1274 1.241,1275 1.998,1276 1.889,1277 1.873,1278 2.007,1279 1.978,1280 1.166,1281 1.995,1282 1.747,1283 1.676,1284 1.966,1285 1.943,1286 1.126,1287 1.953,1288 1.594,1289 1.562,1290 1.838,1291 1.755,1292 1.084,1293 1.784,1294 1.545,1295 1.471,1296 1.764,1297 1.746,1298 0.937,1299 1.758,1300 1.43,1301 1.359,1302 1.725,1303 1.624,1304 0.869,1305 1.638,1306 1.351,1307 1.256,1308 1.654,1309 1.584,1310 0.802,1311 1.635,1312 4.394,1314 5.68,1315 2.398,1316 7.151,1317 4.844,1318 8.704,1319 7.018,1320 10.304,1322 6.542,1328 8.607,1330 5.97,1333 4.741,1340 46.482,1341 99.2,1342 243.526,1343 357.384,1344 401.913,1345 414.278,1346 416.278,1347 69.517,1348 8.267,1349 32.78,1350 32.78,1351 23,1352 12.616,1353 4.392,1354 3.585,1355 65.411,1356 227,1357 230,1358 0.135,1359 287.124,1360 507.86,1361 692.342,1362 55741,1364 26.037,1365 0.704,1366 0.61,1367 26.037,1368 22.58,1369 18.05,1370 0.451,1371 0.34,1372 13.486,1373 17.62,1374 13.026,1375 10.904,1376 18.05,1377 13.601,1378 15.482,1379 0.292,1380 0.188,1381 15.482,1382 9.976,1383 12.859,1384 0.192,1385 0.106,1386 12.859,1387 7.099,1388 10.35,1389 0.123,1390 0.059,1391 10.35,1392 4.936,1393 8.127,1394 0.08,1395 0.031,1396 8.127,1397 3.175,1398 0.225,1399 111.097,1400 0.193,1401 35.112,1402 0.341,1403 186,1404 436.761,1405 195.477,1406 430.134,1407 593.69,1408 406,1409 213,1410 430.964,1411 223.311,1412 445.532,1413 645.9,1414 418,1415 6.051}
{0 CHEMBL598824,1 1.261,2 20.325,3 8.295,4 68.804,5 170.318,6 6.266,7 0.419,8 4.492,9 4.624,10 3.909,11 4.054,12 5.432,13 3.985,14 5.068,15 5.275,16 4.203,17 4.44,18 5.917,19 4.34,20 5.329,21 5.567,22 4.25,23 4.587,24 6.145,25 4.448,26 5.434,27 5.706,28 4.167,29 4.59,30 6.202,31 4.419,32 5.401,33 5.676,34 4.146,35 4.559,36 6.197,37 4.387,38 5.38,39 5.662,40 4.071,41 4.527,42 6.139,43 4.347,44 5.267,45 5.538,46 4.015,47 4.449,48 6.038,49 4.279,50 5.17,51 5.428,52 3.963,53 4.38,54 5.953,55 4.212,56 0.09,57 1.146,58 20.42,59 8.805,60 12.406,61 12.333,62 0.269,63 1.909,64 36.635,65 14.168,66 27.118,67 20.374,68 0.331,69 2.335,70 47.162,71 18.701,72 40.494,73 26.647,74 0.391,75 2.483,76 52.156,77 20.473,78 51.905,79 29.292,80 0.451,81 2.392,82 50.323,83 20.054,84 59.974,85 28.695,86 0.354,87 2.306,88 49.052,89 19.849,90 52.215,91 28.193,92 0.319,93 2.086,94 43.871,95 17.815,96 44.331,97 25.243,98 0.314,99 1.924,100 39.87,101 16.355,102 37.988,103 23.169,104 30,105 56,106 0.19,107 0.465,108 0.696,109 0.799,110 0.837,111 0.841,112 3.717,113 1.054,114 -6.88,115 -6.68,116 -6.19,121 41.9,122 2,123 6,126 1,127 6,137 1,138 1,144 12,145 5,146 1,159 1,176 24,180 10,187 27,192 12,200 21,206 9,214 17,218 1,219 9,227 20,232 6,239 25,244 4,251 27,255 1,256 4,264 23,268 1,269 5,277 15,281 4142,282 27.515,283 27.515,284 27.515,285 27.515,286 27.515,287 25.08,288 31.543,289 16.835,290 27.914,291 21.16,292 21.16,293 21.16,294 21.16,295 21.16,296 17.439,297 40.477,298 7.972,299 21.692,300 5.165,301 3.334,302 1.804,303 1.118,304 0.864,305 0.84,306 4.414,313 1715,314 4.796,317 111.803,318 452.356,321 205.828,325 3.841,326 22.631,329 0.5,330 0.5,331 0.5,332 0.8,333 1,334 0.5,335 0.5,336 0.61,337 83,338 813,339 4.53,340 3.705,341 6.698,342 4.201,343 3.19,344 4.136,345 0.995,346 10.816,347 3.225,348 4.088,349 3.042,350 5.686,351 3.712,352 2.732,353 3.694,354 0.86,355 7.845,356 2.686,357 3.93,358 2.9,359 5.574,360 3.573,361 2.589,362 3.455,363 0.8,364 7.567,365 2.548,366 3.833,367 2.781,368 5.392,369 3.428,370 2.456,371 3.261,372 0.68,373 7.07,374 2.389,375 3.562,376 2.721,377 5.271,378 3.366,379 2.446,380 2.857,381 0.359,382 6.644,383 2.251,384 3.446,385 2.611,386 5.236,387 3.231,388 2.261,389 2.552,391 6.622,392 2.187,393 3.327,394 2.441,395 5.122,396 2.969,397 1.99,398 2.446,400 5.994,401 1.941,402 3.134,403 2.138,404 4.765,405 2.831,406 1.854,407 2.261,409 5.043,410 1.809,411 2.994,412 1.94,413 4.605,414 2.815,415 1.819,416 2.12,418 4.811,419 1.798,420 2.841,421 1.834,422 3.867,423 2.616,424 1.618,425 1.851,427 3.701,428 1.611,429 2.772,430 1.568,431 3.574,432 2.401,433 1.422,434 1.843,436 2.992,437 1.388,438 2.5,439 1.489,440 3.54,441 2.375,442 1.385,443 1.5,445 2.928,446 1.369,447 2.5,448 1.318,449 3.533,450 2,451 1,452 1.5,454 2.275,455 1,456 2.461,457 1.118,458 3.414,459 2,460 1,461 1.459,463 2.136,464 1,465 2.394,466 1,467 3.247,468 1.895,469 0.929,470 1.201,472 2.053,473 0.89,474 19.467,475 0.487,476 0.708,477 0.018,478 45.25,479 1.131,480 21.5,481 0.538,482 23.75,483 0.594,484 41.658,485 1.041,486 44.133,487 0.513,488 34.866,489 0.872,490 8.619,491 0.215,492 10.931,493 0.273,494 0.094,496 0.247,501 0.777,502 1.324,503 0.973,504 1.183,505 0.638,506 1.105,507 1.241,508 1.029,509 1.053,510 0.987,511 0.684,512 0.99,513 1.139,514 1.086,515 1.054,516 1.072,517 0.843,518 1.056,519 1.135,520 0.997,521 0.998,522 0.989,523 1.161,524 0.985,525 0.855,526 0.96,527 0.936,528 0.976,529 0.824,530 0.963,531 1.015,532 0.896,533 0.928,534 0.924,535 1.068,536 0.923,537 1.066,538 0.911,539 0.959,540 0.937,541 1.203,542 0.943,543 0.901,544 1.027,545 1.009,546 1.056,547 1.006,548 1.046,549 7,550 0.245,551 2.889,552 2.389,553 1.507,554 1.049,555 0.732,556 0.333,557 0.379,558 0.214,559 33194,560 61901,561 2.065,562 53.5,563 8,564 28,569 10,572 1.792,573 1.967,574 4.25,575 -0.894,582 108.458,583 1.261,584 3.092,585 4.622,586 5.308,587 5.563,588 5.586,589 3.75,590 4.853,591 5.282,592 4.497,593 3508.05,594 9.283,595 70285.3,600 552.659,601 1.236,602 5.269,603 0.163,604 0.007,605 0.052,606 0.043,607 0.03,608 0.021,609 0.016,610 0.008,611 0.009,612 0.006,613 0.354,614 0.33,615 0.63,616 1.879,617 236.354,618 0.051,619 -0.126,620 0.059,621 -0.043,622 0.006,623 -0.001,624 -0.093,625 0.102,626 -0.016,627 0.043,628 0.028,629 0.027,630 -0.04,631 -0.045,632 -0.044,633 -0.059,634 0.052,635 -0.051,636 -0.036,637 -0.015,638 -0.003,639 -0.008,640 -0.012,641 -0.003,642 0.129,643 0.014,644 0.049,645 0.009,646 0.141,647 0.024,648 -0.019,649 0.056,650 0.052,651 0.062,652 0.017,653 0.062,654 -0.044,655 0.057,656 0.027,657 0.058,658 -0.042,659 0.049,660 0.056,661 -0.039,662 -0.023,663 -0.047,664 -0.033,665 -0.042,666 1.541,667 6.173,668 0.525,669 80.083,670 0.98,671 1.123,672 5.647,673 31.888,674 0.647,675 3.784,676 4.043,677 4.263,678 4.477,679 4.663,680 4.691,681 4.852,682 4.99,683 5.037,684 5.153,685 11.642,686 0.594,687 538.84,688 3.784,689 5.293,690 6.111,691 6.956,692 7.793,693 8.647,694 9.497,695 10.36,696 11.22,697 12.09,698 2.3,701 2,715 12,720 6,722 18,727 1,739 1,741 86,743 20,744 3,745 43,747 89,748 36,749 18,750 6,751 12,752 3,756 4,757 5,763 2,767 1,770 6,772 21,773 15,777 2,782 1,784 1,786 2,793 46,794 4,796 4,802 2,808 0.75,809 2,828 1,829 3,832 1,849 1,850 1,855 2,859 3,864 3,868 40,876 12,878 1,881 2,893 2.3,896 1,898 1,901 20.333,902 16.067,903 9.167,904 5.832,907 3.856,908 1.458,909 0.962,910 11.726,911 12.274,912 4.007,913 4.505,914 5.012,915 5.519,916 6.043,917 6.195,918 6.592,919 6.984,920 7.281,921 7.667,922 0.929,923 56,924 14.886,926 6.07,927 0.026,929 7.446,931 29.635,933 24.087,936 1.946,937 77.833,941 541.471,942 209.056,943 6.249,945 36.145,948 209.056,949 577.616,950 6.249,951 26.047,952 30.328,953 123.191,954 30.278,955 41.605,957 541.471,959 541.471,960 215.305,961 36.145,964 423.76,965 153.856,968 54.227,969 151.602,970 9.476,972 541.471,973 42.393,974 209.056,977 541.471,978 59.818,979 155.487,981 36.145,982 541.471,983 42.393,984 209.056,986 0.56,987 0.321,988 0.167,989 0.087,990 22,991 10,992 0.18,993 16,994 1,995 1.095,996 5.339,997 353.719,998 0.095,999 21,1000 200.877,1005 29.932,1006 15.671,1007 9.258,1009 42.393,1010 25.115,1015 6.34,1018 792.921,1019 54,1024 13.173,1026 2.042,1028 0.978,1031 84.297,1032 96.55,1034 0.196,1035 0.481,1036 0.719,1037 0.826,1038 0.866,1039 0.869,1040 5.218,1041 1.854,1042 6.052,1043 5.994,1044 4.727,1045 5.193,1046 1.858,1047 6.783,1048 4.688,1049 6.369,1050 1.819,1051 7.556,1052 5.043,1053 4.111,1054 4.771,1055 0.57,1056 7.513,1057 4.056,1058 7.635,1059 1.618,1060 9.159,1061 4.811,1062 6.24,1063 7.255,1064 1.49,1065 10.602,1066 6.173,1067 8.936,1068 1.422,1069 10.823,1070 3.701,1071 6.479,1072 7.674,1073 0.674,1074 12.221,1075 6.417,1076 10.271,1077 1.385,1078 12.527,1079 2.992,1080 8.022,1081 9.614,1082 1.248,1083 14.822,1084 7.952,1085 11.632,1086 1,1087 14.263,1088 2.928,1089 8.691,1090 10.453,1091 0.694,1092 16.858,1093 8.644,1094 13.015,1095 1,1096 16.022,1097 2.275,1098 9.983,1099 12.139,1100 1.08,1101 19.302,1102 9.936,1103 3.19,1104 0.929,1105 17.8,1106 2.136,1107 10.882,1108 13.212,1109 0.692,1110 21.533,1111 10.865,1112 2.732,1113 10.816,1114 19.596,1115 2.053,1116 12.069,1117 14.765,1118 0.96,1119 23.928,1120 12.059,1121 2.589,1122 7.845,1123 21.407,1124 4.136,1125 13.087,1126 15.974,1127 0.684,1128 26.245,1129 13.107,1130 2.456,1131 7.567,1132 23.231,1133 3.694,1134 14.235,1135 17.455,1136 0.874,1137 28.627,1138 14.269,1139 2.446,1140 7.07,1141 25.066,1142 3.455,1143 15.316,1144 18.745,1145 0.674,1146 30.981,1147 15.376,1148 2.261,1149 6.644,1150 26.911,1151 3.261,1152 16.454,1153 20.189,1154 0.81,1155 33.36,1156 16.531,1157 1.99,1158 6.622,1159 28.766,1160 2.857,1161 17.568,1162 21.527,1163 0.666,1164 35.729,1165 17.667,1166 31977,1167 44020,1168 29.008,1169 55.671,1170 62.073,1171 63.166,1172 63.455,1173 61.605,1174 61.555,1175 76.871,1176 7.387,1177 165.313,1178 60.304,1179 5.49,1180 5.705,1181 6.59,1182 5.257,1183 5.19,1184 7.136,1185 1.855,1186 17.865,1187 5.225,1188 18.646,1189 1.444,1190 1.469,1191 1.476,1192 1.433,1193 1.432,1194 1.788,1195 0.172,1196 3.844,1197 1.402,1198 4.069,1199 4.089,1200 4.022,1201 4.009,1202 7.427,1203 4.009,1204 3.938,1205 3.971,1206 3.87,1207 3.869,1208 4.844,1209 3.865,1210 3.878,1211 3.907,1212 3.81,1213 3.826,1214 4.765,1215 3.819,1216 3.811,1217 3.88,1218 3.663,1219 3.666,1220 4.726,1221 3.653,1222 3.674,1223 3.744,1224 3.531,1225 3.498,1226 4.371,1227 3.495,1228 3.556,1229 3.615,1230 3.446,1231 3.425,1232 4.327,1233 3.424,1234 3.469,1235 3.534,1236 3.335,1237 3.283,1238 4.206,1239 3.282,1240 3.384,1241 3.443,1242 3.212,1243 3.241,1244 4.082,1245 3.226,1246 0.105,1247 0.086,1248 0.156,1249 0.098,1250 0.074,1251 4.53,1252 0.096,1253 3.705,1254 0.023,1255 6.698,1256 0.252,1257 4.201,1258 0.075,1259 3.19,1260 4.136,1261 0.995,1262 10.816,1263 3.225,1264 1.956,1265 1.93,1266 2.073,1267 2.047,1268 1.394,1269 2.058,1270 1.902,1271 1.874,1272 2.044,1273 1.995,1274 1.241,1275 2.011,1276 1.89,1277 1.874,1278 2.026,1279 1.978,1280 1.209,1281 1.996,1282 1.794,1283 1.729,1284 1.978,1285 1.963,1286 1.164,1287 1.971,1288 1.661,1289 1.587,1290 1.923,1291 1.86,1292 1.124,1293 1.887,1294 1.594,1295 1.562,1296 1.769,1297 1.751,1298 1.037,1299 1.76,1300 1.454,1301 1.381,1302 1.756,1303 1.66,1304 0.936,1305 1.696,1306 1.429,1307 1.359,1308 1.725,1309 1.623,1310 0.869,1311 1.638,1312 4.466,1314 5.74,1315 2.398,1316 7.197,1317 4.844,1318 8.739,1319 7.018,1320 10.329,1322 6.61,1328 12.761,1330 6.011,1333 4.802,1340 51.062,1341 108.458,1342 265.949,1343 397.526,1344 456.52,1345 478.394,1346 480.394,1347 80.596,1348 8.418,1349 32.78,1350 32.78,1351 23,1352 12.636,1353 4.392,1354 3.585,1355 73.99,1356 275,1357 290,1358 0.125,1359 315.901,1360 559.76,1361 762.558,1362 70526,1364 28.158,1365 0.704,1366 0.618,1367 28.158,1368 24.702,1369 19.55,1370 0.455,1371 0.351,1372 14.986,1373 19.12,1374 14.496,1375 12.154,1376 19.55,1377 15.101,1378 16.542,1379 0.295,1380 0.197,1381 16.542,1382 11.037,1383 13.609,1384 0.194,1385 0.112,1386 13.609,1387 7.849,1388 10.88,1389 0.125,1390 0.063,1391 10.88,1392 5.467,1393 8.502,1394 0.081,1395 0.034,1396 8.502,1397 3.53,1398 0.211,1399 120.097,1400 0.186,1401 37.73,1402 0.31,1403 198,1404 448.761,1405 207.477,1406 442.619,1407 610.97,1408 418,1409 225,1410 442.964,1411 235.311,1412 458.017,1413 663.18,1414 430,1415 6.292}
{0 CHEMBL599057,1 1.279,2 18.842,3 7.382,4 54.5,5 161.116,6 6.385,7 0.439,8 4.425,9 4.555,10 3.861,11 3.991,12 5.385,13 3.927,14 4.994,15 5.198,16 4.162,17 4.375,18 5.866,19 4.283,20 5.245,21 5.474,22 4.21,23 4.522,24 6.091,25 4.392,26 5.359,27 5.625,28 4.124,29 4.525,30 6.151,31 4.362,32 5.323,33 5.593,34 4.102,35 4.492,36 6.146,37 4.327,38 5.3,39 5.577,40 4.024,41 4.46,42 6.087,43 4.286,44 5.174,45 5.437,46 3.969,47 4.376,48 5.973,49 4.212,50 5.086,51 5.338,52 3.916,53 4.279,54 5.912,55 4.127,56 0.08,57 1.067,58 18.733,59 8.106,60 11.455,61 11.289,62 0.257,63 1.779,64 33.806,65 12.986,66 25.676,67 18.583,68 0.31,69 2.166,70 43.325,71 17.149,72 37.904,73 24.288,74 0.374,75 2.32,76 48.615,77 19.004,78 50.386,79 27.073,80 0.432,81 2.23,82 46.79,83 18.579,84 58.14,85 26.494,86 0.391,87 2.143,88 45.657,89 18.431,90 51.928,91 26.081,92 0.27,93 1.914,94 40.026,95 16.517,96 40.824,97 23.249,98 0.269,99 1.755,100 36.912,101 14.811,102 39.883,103 20.774,104 28,105 54,106 0.195,107 0.48,108 0.711,109 0.807,110 0.831,111 0.834,112 3.667,113 1.032,114 -6.52,115 -6.34,116 -5.88,121 42.5,122 2,123 4,126 1,127 6,137 1,138 1,144 12,145 5,146 1,159 1,176 22,180 10,187 25,192 12,200 19,206 9,214 16,218 1,219 7,227 20,231 1,232 4,239 25,244 4,251 23,256 8,264 17,268 1,269 7,277 12,281 3500,282 26.101,283 26.101,284 26.101,285 26.101,286 26.101,287 23.666,288 31.543,289 15.835,290 26.5,291 20.16,292 20.16,293 20.16,294 20.16,295 20.16,296 16.439,297 40.477,298 7.472,299 20.692,300 5.043,301 3.178,302 1.658,303 1.033,304 0.878,305 0.853,306 4.364,313 1515,314 4.583,317 103.436,318 422.43,321 191.289,325 3.526,326 22.287,329 0.5,330 0.5,331 0.5,332 0.8,333 1,334 0.5,335 0.5,336 0.61,337 79,338 716,339 4.53,340 3.705,341 6.698,342 4.201,343 3.19,344 4.136,345 0.995,346 10.816,347 3.225,348 4.088,349 3.042,350 5.686,351 3.712,352 2.732,353 3.694,354 0.86,355 7.845,356 2.686,357 3.93,358 2.9,359 5.574,360 3.573,361 2.589,362 3.455,363 0.8,364 7.567,365 2.548,366 3.833,367 2.781,368 5.392,369 3.428,370 2.458,371 3.261,372 0.68,373 7.07,374 2.389,375 3.562,376 2.721,377 5.271,378 3.366,379 2.444,380 2.857,381 0.359,382 6.644,383 2.25,384 3.446,385 2.611,386 5.236,387 3.231,388 2.261,389 2.552,391 6.622,392 2.186,393 3.327,394 2.441,395 5.122,396 2.966,397 1.988,398 2.446,400 5.994,401 1.937,402 3.134,403 2.138,404 4.765,405 2.83,406 1.85,407 2.261,409 5.043,410 1.798,411 2.994,412 1.93,413 4.605,414 2.698,415 1.711,416 2.12,418 4.811,419 1.685,420 2.772,421 1.767,422 3.782,423 2.604,424 1.606,425 1.849,427 3.491,428 1.6,429 2.732,430 1.49,431 3.574,432 2.376,433 1.386,434 1.736,436 2.992,437 1.369,438 2.5,439 1.357,440 3.54,441 2.073,442 1.119,443 1.5,445 2.33,446 1.06,447 2.5,448 1.313,449 3.414,450 2,451 1,452 1.5,454 2.275,455 1,456 2.398,457 1,458 3.318,459 2,460 1,461 1.221,463 2.136,464 1,465 2.163,466 1,467 3.247,468 1.843,469 0.809,470 1.128,472 2.01,473 0.832,474 18.467,475 0.486,476 0.708,477 0.019,478 44.25,479 1.164,480 21.5,481 0.566,482 22.75,483 0.599,484 37.749,485 0.993,486 41.533,487 0.519,488 34.353,489 0.904,490 8.619,491 0.227,492 9.931,493 0.261,494 0.099,496 0.26,501 0.772,502 1.315,503 0.947,504 1.165,505 0.636,506 1.083,507 1.25,508 0.999,509 1.031,510 0.952,511 0.688,512 0.957,513 1.164,514 1.097,515 1.068,516 1.083,517 0.862,518 1.067,519 1.149,520 0.999,521 1.005,522 0.992,523 1.18,524 0.988,525 0.864,526 0.96,527 0.939,528 0.978,529 0.837,530 0.965,531 0.978,532 0.865,533 0.929,534 0.911,535 1.081,536 0.92,537 0.938,538 0.957,539 0.942,540 0.986,541 1.197,542 0.972,543 1.188,544 1.064,545 1.001,546 1.054,547 1.085,548 1.025,549 7,550 0.22,551 2.889,552 2.389,553 1.507,554 1.049,555 0.732,556 0.302,557 0.404,558 0.234,559 27980,560 53955,561 2.069,562 52.5,563 4,564 28,569 10,572 1.78,573 1.966,574 4.146,575 -0.888,582 102.303,583 1.279,584 3.144,585 4.664,586 5.289,587 5.444,588 5.469,589 3.655,590 4.88,591 5.208,592 4.385,593 3082.83,594 9.141,595 58024,600 505.754,601 1.267,602 5.192,603 0.171,604 0.006,605 0.053,606 0.044,607 0.031,608 0.022,609 0.017,610 0.007,611 0.01,612 0.006,613 0.369,614 0.33,615 0.63,616 1.67,617 219.812,618 0.048,619 -0.133,620 0.06,621 -0.046,622 -0.004,623 -0.002,624 -0.1,625 0.129,626 -0.005,627 0.065,628 0.021,629 0.047,630 -0.053,631 -0.053,632 -0.061,633 -0.073,634 0.039,635 -0.066,636 -0.044,637 -0.018,638 -0.01,639 -0.011,640 -0.024,641 -0.008,642 0.127,643 0.014,644 0.047,645 0.007,646 0.134,647 0.021,648 0.028,649 0.085,650 0.053,651 0.076,652 0.015,653 0.067,654 -0.002,655 0.005,656 0.036,657 0.019,658 -0.035,659 0.029,660 -0.013,661 -0.092,662 -0.002,663 -0.054,664 -0.038,665 -0.033,666 1.545,667 6.14,668 0.553,669 70.227,670 0.982,671 1.121,672 5.287,673 27.951,674 0.652,675 3.738,676 4.007,677 4.234,678 4.454,679 4.644,680 4.673,681 4.836,682 4.977,683 5.03,684 5.153,685 10.798,686 0.6,687 510.78,688 3.738,689 5.252,690 6.075,691 6.925,692 7.766,693 8.625,694 9.478,695 10.344,696 11.206,697 12.078,698 2.5,701 2,715 12,720 6,722 18,727 1,739 1,741 80,743 20,744 3,745 41,747 83,748 34,749 18,750 6,751 12,752 3,756 4,757 5,763 2,767 1,770 4,772 21,773 13,777 2,782 1,784 1,786 2,793 42,794 4,796 4,802 2,808 0.75,809 2,828 1,829 3,832 1,849 1,850 1,855 2,859 3,864 3,868 38,876 10,878 1,881 2,893 2.5,896 1,898 1,901 19.333,902 15.067,903 8.667,904 5.332,907 3.859,908 1.464,909 0.966,910 10.461,911 12.178,912 3.97,913 4.483,914 4.999,915 5.511,916 6.038,917 6.191,918 6.589,919 6.982,920 7.281,921 7.668,922 0.923,923 54,924 14.129,926 5.783,927 0.026,929 7.469,931 28.002,933 22.754,936 1.969,937 74.833,941 494.386,942 203.987,943 6.249,945 36.145,948 203.987,949 530.531,950 6.249,951 26.047,952 25.259,953 123.191,954 30.278,955 41.605,957 494.386,959 494.386,960 210.236,961 36.145,964 376.675,965 153.856,968 49.158,969 151.602,970 9.476,972 494.386,973 42.393,974 203.987,977 494.386,978 54.749,979 155.487,981 36.145,982 494.386,983 42.393,984 203.987,986 0.563,987 0.324,988 0.17,989 0.088,990 22,991 10,992 0.169,993 14,994 1,995 1.095,996 5.115,997 335.439,998 0.095,999 21,1000 187.421,1005 27.981,1006 14.207,1007 8.228,1009 42.393,1010 25.072,1015 6.32,1018 740.767,1019 52,1024 13.14,1026 2.038,1028 0.971,1031 78.53,1032 89.719,1034 0.202,1035 0.497,1036 0.738,1037 0.837,1038 0.861,1039 0.865,1040 5.185,1041 1.85,1042 6.023,1043 5.994,1044 4.691,1045 5.17,1046 1.858,1047 6.765,1048 4.65,1049 6.345,1050 1.711,1051 7.535,1052 5.043,1053 4.111,1054 4.771,1055 0.57,1056 7.513,1057 4.056,1058 7.616,1059 1.606,1060 9.144,1061 4.811,1062 6.217,1063 7.246,1064 1.49,1065 10.597,1066 6.148,1067 8.922,1068 1.386,1069 10.813,1070 3.491,1071 6.479,1072 7.674,1073 0.674,1074 12.221,1075 6.417,1076 10.262,1077 1.119,1078 12.521,1079 2.992,1080 8.009,1081 9.611,1082 1.248,1083 14.821,1084 7.938,1085 11.625,1086 1,1087 14.258,1088 2.33,1089 8.691,1090 10.453,1091 0.694,1092 16.858,1093 8.644,1094 13.01,1095 1,1096 16.019,1097 2.275,1098 9.977,1099 12.139,1100 1.08,1101 19.302,1102 9.929,1103 3.19,1104 0.809,1105 17.799,1106 2.136,1107 10.882,1108 13.212,1109 0.692,1110 21.533,1111 10.865,1112 2.732,1113 10.816,1114 19.595,1115 2.01,1116 12.066,1117 14.765,1118 0.96,1119 23.928,1120 12.056,1121 2.589,1122 7.845,1123 21.406,1124 4.136,1125 13.087,1126 15.974,1127 0.684,1128 26.245,1129 13.107,1130 2.458,1131 7.567,1132 23.23,1133 3.694,1134 14.234,1135 17.455,1136 0.874,1137 28.627,1138 14.268,1139 2.444,1140 7.07,1141 25.066,1142 3.455,1143 15.316,1144 18.745,1145 0.674,1146 30.981,1147 15.376,1148 2.261,1149 6.644,1150 26.911,1151 3.261,1152 16.454,1153 20.189,1154 0.81,1155 33.36,1156 16.531,1157 1.988,1158 6.622,1159 28.766,1160 2.857,1161 17.568,1162 21.527,1163 0.666,1164 35.729,1165 17.667,1166 26909,1167 37632,1168 27.622,1169 52.148,1170 59.559,1171 60.64,1172 60.95,1173 59.056,1174 59.008,1175 74.324,1176 7.387,1177 160.22,1178 57.756,1179 5.476,1180 5.705,1181 6.527,1182 5.258,1183 5.19,1184 7.136,1185 1.855,1186 17.865,1187 5.225,1188 17.887,1189 1.453,1190 1.479,1191 1.487,1192 1.44,1193 1.439,1194 1.813,1195 0.18,1196 3.908,1197 1.409,1198 4.068,1199 4.088,1200 4.021,1201 4.009,1202 7.427,1203 4.009,1204 3.938,1205 3.971,1206 3.87,1207 3.869,1208 4.843,1209 3.865,1210 3.877,1211 3.906,1212 3.81,1213 3.826,1214 4.765,1215 3.819,1216 3.794,1217 3.866,1218 3.65,1219 3.631,1220 4.726,1221 3.623,1222 3.619,1223 3.682,1224 3.5,1225 3.451,1226 4.374,1227 3.454,1228 3.538,1229 3.606,1230 3.399,1231 3.397,1232 4.315,1233 3.387,1234 3.433,1235 3.48,1236 3.313,1237 3.262,1238 4.205,1239 3.266,1240 3.306,1241 3.407,1242 3.041,1243 3.123,1244 4.036,1245 3.089,1246 0.11,1247 0.09,1248 0.163,1249 0.102,1250 0.078,1251 4.53,1252 0.101,1253 3.705,1254 0.024,1255 6.698,1256 0.264,1257 4.201,1258 0.079,1259 3.19,1260 4.136,1261 0.995,1262 10.816,1263 3.225,1264 1.956,1265 1.93,1266 2.073,1267 2.047,1268 1.348,1269 2.058,1270 1.902,1271 1.874,1272 2.026,1273 1.992,1274 1.241,1275 2.002,1276 1.889,1277 1.874,1278 2.02,1279 1.978,1280 1.168,1281 1.996,1282 1.766,1283 1.698,1284 1.972,1285 1.951,1286 1.136,1287 1.961,1288 1.6,1289 1.562,1290 1.878,1291 1.798,1292 1.117,1293 1.83,1294 1.59,1295 1.522,1296 1.764,1297 1.75,1298 0.939,1299 1.759,1300 1.43,1301 1.359,1302 1.725,1303 1.624,1304 0.869,1305 1.638,1306 1.351,1307 1.256,1308 1.656,1309 1.584,1310 0.864,1311 1.636,1312 4.419,1314 5.7,1315 2.398,1316 7.166,1317 4.844,1318 8.716,1319 7.018,1320 10.313,1322 6.57,1328 9.968,1330 5.986,1333 4.768,1340 48.008,1341 102.303,1342 251.483,1343 373.086,1344 423.125,1345 435.49,1346 437.49,1347 73.133,1348 8.319,1349 32.78,1350 32.78,1351 23,1352 12.623,1353 4.392,1354 3.585,1355 68.214,1356 242,1357 250,1358 0.132,1359 296.716,1360 525.16,1361 715.748,1362 60458,1364 26.744,1365 0.704,1366 0.613,1367 26.744,1368 23.288,1369 18.55,1370 0.452,1371 0.344,1372 13.986,1373 18.12,1374 13.516,1375 11.321,1376 18.55,1377 14.101,1378 15.835,1379 0.293,1380 0.191,1381 15.835,1382 10.33,1383 13.109,1384 0.193,1385 0.108,1386 13.109,1387 7.349,1388 10.526,1389 0.124,1390 0.06,1391 10.526,1392 5.113,1393 8.252,1394 0.08,1395 0.032,1396 8.252,1397 3.28,1398 0.22,1399 114.097,1400 0.19,1401 35.99,1402 0.33,1403 190,1404 440.761,1405 199.477,1406 434.296,1407 599.45,1408 410,1409 217,1410 434.964,1411 227.311,1412 449.693,1413 651.66,1414 422,1415 6.721}
{0 CHEMBL599058,1 1.27,2 19.564,3 7.839,4 61.444,5 165.717,6 6.323,7 0.429,8 4.459,9 4.59,10 3.886,11 4.023,12 5.409,13 3.957,14 5.031,15 5.237,16 4.182,17 4.408,18 5.892,19 4.312,20 5.287,21 5.522,22 4.23,23 4.555,24 6.119,25 4.42,26 5.397,27 5.667,28 4.146,29 4.558,30 6.177,31 4.391,32 5.363,33 5.635,34 4.124,35 4.526,36 6.172,37 4.357,38 5.341,39 5.62,40 4.047,41 4.493,42 6.112,43 4.316,44 5.223,45 5.491,46 3.991,47 4.415,48 6.011,49 4.247,50 5.118,51 5.371,52 3.94,53 4.34,54 5.912,55 4.176,56 0.085,57 1.107,58 19.579,59 8.456,60 11.937,61 11.812,62 0.263,63 1.844,64 35.227,65 13.578,66 26.405,67 19.482,68 0.321,69 2.251,70 45.26,71 17.929,72 39.234,73 25.476,74 0.382,75 2.402,76 50.396,77 19.74,78 51.159,79 28.188,80 0.441,81 2.311,82 48.567,83 19.319,84 59.076,85 27.599,86 0.346,87 2.225,88 47.336,89 19.118,90 51.58,91 27.107,92 0.363,93 2.002,94 42.16,95 17.118,96 44.658,97 24.2,98 0.22,99 1.836,100 37.711,101 15.747,102 34.067,103 22.208,104 29,105 55,106 0.192,107 0.473,108 0.705,109 0.804,110 0.834,111 0.838,112 3.692,113 1.043,114 -6.7,115 -6.51,116 -6.04,121 42.2,122 2,123 5,126 1,127 6,137 1,138 1,144 12,145 5,146 1,159 1,176 23,180 10,187 26,192 12,200 20,206 9,214 16,218 1,219 9,227 20,232 4,239 25,243 1,244 4,251 27,256 4,264 19,268 1,269 9,277 13,281 3818,282 26.808,283 26.808,284 26.808,285 26.808,286 26.808,287 24.373,288 31.543,289 16.335,290 27.207,291 20.66,292 20.66,293 20.66,294 20.66,295 20.66,296 16.939,297 40.477,298 7.722,299 21.192,300 5.105,301 3.256,302 1.725,303 1.068,304 0.871,305 0.847,306 4.389,313 1612,314 4.69,317 107.599,318 437.332,321 198.518,325 3.707,326 22.474,329 0.5,330 0.5,331 0.5,332 0.8,333 1,334 0.5,335 0.5,336 0.61,337 81,338 763,339 4.53,340 3.705,341 6.698,342 4.201,343 3.19,344 4.136,345 0.995,346 10.816,347 3.225,348 4.088,349 3.042,350 5.686,351 3.712,352 2.732,353 3.694,354 0.86,355 7.845,356 2.686,357 3.93,358 2.9,359 5.574,360 3.573,361 2.589,362 3.455,363 0.8,364 7.567,365 2.548,366 3.833,367 2.781,368 5.392,369 3.428,370 2.457,371 3.261,372 0.68,373 7.07,374 2.389,375 3.562,376 2.721,377 5.271,378 3.366,379 2.446,380 2.857,381 0.359,382 6.644,383 2.251,384 3.446,385 2.611,386 5.236,387 3.231,388 2.261,389 2.552,391 6.622,392 2.187,393 3.327,394 2.441,395 5.122,396 2.967,397 1.989,398 2.446,400 5.994,401 1.939,402 3.134,403 2.138,404 4.765,405 2.83,406 1.851,407 2.261,409 5.043,410 1.798,411 2.994,412 1.936,413 4.605,414 2.767,415 1.774,416 2.12,418 4.811,419 1.757,420 2.797,421 1.805,422 3.832,423 2.612,424 1.613,425 1.849,427 3.616,428 1.608,429 2.771,430 1.493,431 3.574,432 2.376,433 1.386,434 1.8,436 2.992,437 1.369,438 2.5,439 1.476,440 3.54,441 2.26,442 1.291,443 1.5,445 2.67,446 1.244,447 2.5,448 1.317,449 3.437,450 2,451 1,452 1.5,454 2.275,455 1,456 2.401,457 1,458 3.414,459 2,460 1,461 1.334,463 2.136,464 1,465 2.327,466 1,467 3.247,468 1.852,469 0.826,470 1.192,472 2.028,473 0.841,474 18.967,475 0.486,476 0.708,477 0.018,478 44.75,479 1.147,480 21.5,481 0.551,482 23.25,483 0.596,484 39.694,485 1.018,486 42.833,487 0.516,488 34.616,489 0.888,490 8.619,491 0.221,492 10.431,493 0.267,494 0.097,496 0.253,501 0.774,502 1.32,503 0.96,504 1.174,505 0.637,506 1.094,507 1.245,508 1.015,509 1.042,510 0.97,511 0.686,512 0.974,513 1.151,514 1.091,515 1.06,516 1.077,517 0.852,518 1.061,519 1.142,520 0.998,521 1.002,522 0.991,523 1.17,524 0.986,525 0.859,526 0.96,527 0.937,528 0.977,529 0.83,530 0.964,531 1.022,532 0.894,533 0.929,534 0.922,535 1.078,536 0.923,537 1.02,538 0.881,539 0.961,540 0.925,541 1.212,542 0.941,543 0.811,544 1.115,545 0.991,546 1.128,547 0.988,548 1.085,549 7,550 0.229,551 2.889,552 2.389,553 1.507,554 1.049,555 0.732,556 0.333,557 0.354,558 0.254,559 30503,560 57810,561 2.067,562 53,563 6,564 28,569 10,572 1.786,573 1.966,574 4.197,575 -0.891,582 105.388,583 1.27,584 3.119,585 4.65,586 5.307,587 5.504,588 5.528,589 3.724,590 4.978,591 5.245,592 4.442,593 3291.48,594 9.213,595 63937.7,600 529.128,601 1.252,602 5.231,603 0.167,604 0.006,605 0.053,606 0.043,607 0.031,608 0.022,609 0.016,610 0.008,611 0.009,612 0.007,613 0.361,614 0.33,615 0.63,616 1.776,617 228.047,618 0.049,619 -0.129,620 0.06,621 -0.044,622 0.001,623 -0.002,624 -0.096,625 0.115,626 -0.011,627 0.053,628 0.025,629 0.036,630 -0.046,631 -0.049,632 -0.052,633 -0.065,634 0.046,635 -0.058,636 -0.04,637 -0.016,638 -0.006,639 -0.01,640 -0.018,641 -0.006,642 0.128,643 0.014,644 0.048,645 0.008,646 0.138,647 0.023,648 -0.021,649 0.057,650 0.052,651 0.063,652 0.012,653 0.063,654 0.01,655 0.087,656 0.026,657 0.071,658 -0.04,659 0.052,660 0.043,661 -0.133,662 -0.015,663 -0.108,664 -0.027,665 -0.072,666 1.543,667 6.158,668 0.538,669 75.11,670 0.981,671 1.122,672 5.468,673 29.899,674 0.65,675 3.761,676 4.025,677 4.248,678 4.466,679 4.654,680 4.682,681 4.844,682 4.984,683 5.03,684 5.153,685 11.217,686 0.597,687 524.81,688 3.761,689 5.273,690 6.094,691 6.94,692 7.779,693 8.636,694 9.487,695 10.352,696 11.213,697 12.084,698 2.4,701 2,715 12,720 6,722 18,727 1,739 1,741 83,743 20,744 3,745 42,747 86,748 35,749 18,750 6,751 12,752 3,756 4,757 5,763 2,767 1,770 5,772 21,773 14,777 2,782 1,784 1,786 2,793 44,794 4,796 4,802 2,808 0.75,809 2,828 1,829 3,832 1,849 1,850 1,855 2,859 3,864 3,868 39,876 11,878 1,881 2,893 2.4,896 1,898 1,901 19.833,902 15.567,903 8.917,904 5.582,907 3.857,908 1.461,909 0.964,910 11.088,911 12.227,912 3.989,913 4.494,914 5.006,915 5.515,916 6.041,917 6.193,918 6.591,919 6.983,920 7.28,921 7.667,922 1,923 55,924 14.507,926 5.926,927 0.026,929 7.457,931 28.819,933 23.421,936 1.957,937 76.333,941 517.928,942 206.522,943 6.249,945 36.145,948 206.522,949 554.073,950 6.249,951 26.047,952 27.794,953 123.191,954 30.278,955 41.605,957 517.928,959 517.928,960 212.771,961 36.145,964 400.217,965 153.856,968 51.693,969 151.602,970 9.476,972 517.928,973 42.393,974 206.522,977 517.928,978 57.284,979 155.487,981 36.145,982 517.928,983 42.393,984 206.522,986 0.562,987 0.323,988 0.168,989 0.087,990 22,991 10,992 0.174,993 15,994 1,995 1.095,996 5.227,997 344.577,998 0.095,999 21,1000 194.131,1005 28.956,1006 14.934,1007 8.73,1009 42.393,1010 25.095,1015 6.331,1018 766.844,1019 53,1024 13.158,1026 2.04,1028 0.975,1031 81.414,1032 93.135,1034 0.199,1035 0.489,1036 0.729,1037 0.832,1038 0.863,1039 0.867,1040 5.201,1041 1.851,1042 6.038,1043 5.994,1044 4.71,1045 5.182,1046 1.858,1047 6.774,1048 4.669,1049 6.357,1050 1.774,1051 7.546,1052 5.043,1053 4.111,1054 4.771,1055 0.57,1056 7.513,1057 4.056,1058 7.626,1059 1.613,1060 9.152,1061 4.811,1062 6.229,1063 7.25,1064 1.49,1065 10.599,1066 6.16,1067 8.929,1068 1.386,1069 10.818,1070 3.616,1071 6.479,1072 7.674,1073 0.674,1074 12.221,1075 6.417,1076 10.266,1077 1.291,1078 12.524,1079 2.992,1080 8.015,1081 9.613,1082 1.248,1083 14.822,1084 7.945,1085 11.629,1086 1,1087 14.26,1088 2.67,1089 8.691,1090 10.453,1091 0.694,1092 16.858,1093 8.644,1094 13.012,1095 1,1096 16.02,1097 2.275,1098 9.98,1099 12.139,1100 1.08,1101 19.302,1102 9.933,1103 3.19,1104 0.826,1105 17.799,1106 2.136,1107 10.882,1108 13.212,1109 0.692,1110 21.533,1111 10.865,1112 2.732,1113 10.816,1114 19.596,1115 2.028,1116 12.067,1117 14.765,1118 0.96,1119 23.928,1120 12.058,1121 2.589,1122 7.845,1123 21.407,1124 4.136,1125 13.087,1126 15.974,1127 0.684,1128 26.245,1129 13.107,1130 2.457,1131 7.567,1132 23.23,1133 3.694,1134 14.235,1135 17.455,1136 0.874,1137 28.627,1138 14.269,1139 2.446,1140 7.07,1141 25.066,1142 3.455,1143 15.316,1144 18.745,1145 0.674,1146 30.981,1147 15.376,1148 2.261,1149 6.644,1150 26.911,1151 3.261,1152 16.454,1153 20.189,1154 0.81,1155 33.36,1156 16.531,1157 1.989,1158 6.622,1159 28.766,1160 2.857,1161 17.568,1162 21.527,1163 0.666,1164 35.729,1165 17.667,1166 29362,1167 40728,1168 28.315,1169 53.91,1170 60.867,1171 61.801,1172 62.187,1173 60.354,1174 60.322,1175 75.646,1176 7.387,1177 162.848,1178 59.071,1179 5.483,1180 5.705,1181 6.564,1182 5.257,1183 5.19,1184 7.136,1185 1.855,1186 17.865,1187 5.225,1188 18.269,1189 1.449,1190 1.471,1191 1.481,1192 1.437,1193 1.436,1194 1.801,1195 0.176,1196 3.877,1197 1.406,1198 4.069,1199 4.089,1200 4.021,1201 4.009,1202 7.427,1203 4.009,1204 3.938,1205 3.971,1206 3.87,1207 3.869,1208 4.843,1209 3.865,1210 3.878,1211 3.906,1212 3.81,1213 3.826,1214 4.765,1215 3.819,1216 3.803,1217 3.873,1218 3.657,1219 3.65,1220 4.726,1221 3.64,1222 3.649,1223 3.717,1224 3.515,1225 3.473,1226 4.372,1227 3.473,1228 3.548,1229 3.611,1230 3.427,1231 3.416,1232 4.322,1233 3.412,1234 3.448,1235 3.5,1236 3.326,1237 3.267,1238 4.206,1239 3.271,1240 3.326,1241 3.407,1242 3.136,1243 3.169,1244 4.056,1245 3.149,1246 0.108,1247 0.088,1248 0.159,1249 0.1,1250 0.076,1251 4.53,1252 0.098,1253 3.705,1254 0.024,1255 6.698,1256 0.258,1257 4.201,1258 0.077,1259 3.19,1260 4.136,1261 0.995,1262 10.816,1263 3.225,1264 1.956,1265 1.93,1266 2.073,1267 2.047,1268 1.375,1269 2.058,1270 1.902,1271 1.874,1272 2.034,1273 1.994,1274 1.241,1275 2.007,1276 1.89,1277 1.874,1278 2.025,1279 1.978,1280 1.178,1281 1.996,1282 1.781,1283 1.715,1284 1.975,1285 1.958,1286 1.158,1287 1.966,1288 1.634,1289 1.564,1290 1.904,1291 1.833,1292 1.123,1293 1.863,1294 1.593,1295 1.557,1296 1.765,1297 1.751,1298 0.972,1299 1.759,1300 1.431,1301 1.36,1302 1.725,1303 1.626,1304 0.933,1305 1.642,1306 1.374,1307 1.302,1308 1.694,1309 1.591,1310 0.869,1311 1.638,1312 4.443,1314 5.72,1315 2.398,1316 7.182,1317 4.844,1318 8.727,1319 7.018,1320 10.321,1322 6.592,1328 11.355,1330 5.999,1333 4.788,1340 49.535,1341 105.388,1342 258.913,1343 385.97,1344 440.499,1345 456.864,1346 458.864,1347 76.829,1348 8.37,1349 32.78,1350 32.78,1351 23,1352 12.629,1353 4.392,1354 3.585,1355 71.074,1356 258,1357 270,1358 0.129,1359 306.309,1360 542.46,1361 739.153,1362 65386,1364 27.451,1365 0.704,1366 0.615,1367 27.451,1368 23.995,1369 19.05,1370 0.454,1371 0.348,1372 14.486,1373 18.62,1374 14.006,1375 11.737,1376 19.05,1377 14.601,1378 16.189,1379 0.294,1380 0.194,1381 16.189,1382 10.683,1383 13.359,1384 0.194,1385 0.11,1386 13.359,1387 7.599,1388 10.703,1389 0.124,1390 0.062,1391 10.703,1392 5.29,1393 8.377,1394 0.081,1395 0.033,1396 8.377,1397 3.405,1398 0.215,1399 117.097,1400 0.188,1401 36.863,1402 0.32,1403 194,1404 444.761,1405 203.477,1406 438.458,1407 605.21,1408 414,1409 221,1410 438.964,1411 231.311,1412 453.855,1413 657.42,1414 426,1415 6.42}
{0 CHEMBL599252,1 1.288,2 18.135,3 6.926,4 47.972,5 156.515,6 6.451,7 0.45,8 4.39,9 4.518,10 3.836,11 3.958,12 5.361,13 3.896,14 4.955,15 5.157,16 4.14,17 4.341,18 5.839,19 4.253,20 5.2,21 5.424,22 4.19,23 4.487,24 6.063,25 4.363,26 5.319,27 5.582,28 4.101,29 4.49,30 6.127,31 4.331,32 5.283,33 5.549,34 4.055,35 4.459,36 6.09,37 4.295,38 5.256,39 5.533,40 4.008,41 4.426,42 6.063,43 4.25,44 5.149,45 5.42,46 3.942,47 4.321,48 5.947,49 4.163,50 4.993,51 5.234,52 3.889,53 4.225,54 5.842,55 4.088,56 0.075,57 1.027,58 17.88,59 7.755,60 10.959,61 10.763,62 0.251,63 1.714,64 32.372,65 12.392,66 24.932,67 17.675,68 0.298,69 2.081,70 41.353,71 16.361,72 36.55,73 23.083,74 0.365,75 2.239,76 46.81,77 18.263,78 50.792,79 25.946,80 0.394,81 2.147,82 45.084,83 17.856,84 49.753,85 25.316,86 0.372,87 2.066,88 43.563,89 17.991,90 54.886,91 25.509,92 0.301,93 1.849,94 39.388,95 15.789,96 42.615,97 22.214,98 0.278,99 1.624,100 33.754,101 13.338,102 36.756,103 18.651,104 27,105 53,106 0.198,107 0.486,108 0.715,109 0.804,110 0.827,111 0.831,112 3.641,113 1.02,114 -6.33,115 -6.17,116 -5.73,121 42.9,122 2,123 3,126 1,127 6,137 1,138 1,144 12,145 5,146 1,159 1,176 21,180 10,187 24,192 12,200 18,206 9,214 17,218 1,219 5,227 20,231 1,232 4,239 22,244 7,251 21,256 6,264 15,268 1,269 7,277 14,281 3209,282 25.394,283 25.394,284 25.394,285 25.394,286 25.394,287 22.959,288 31.543,289 15.333,290 25.793,291 19.66,292 19.66,293 19.66,294 19.66,295 19.66,296 15.939,297 41.784,298 7.218,299 20.192,300 4.978,301 3.104,302 1.614,303 1.036,304 0.887,305 0.861,306 4.338,312 1,313 1422,314 4.472,317 99.316,318 407.662,321 184.151,325 3.335,326 21.895,329 0.75,330 0.5,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.71,337 77,338 671,339 4.527,340 3.703,341 6.694,342 4.199,343 3.188,344 4.132,345 0.995,346 10.795,347 3.223,348 4.088,349 3.042,350 5.694,351 3.712,352 2.732,353 3.694,354 0.86,355 7.854,356 2.686,357 3.931,358 2.931,359 5.58,360 3.574,361 2.591,362 3.455,363 0.8,364 7.593,365 2.548,366 3.849,367 2.781,368 5.41,369 3.445,370 2.475,371 3.285,372 0.68,373 7.128,374 2.404,375 3.577,376 2.721,377 5.271,378 3.365,379 2.442,380 2.877,381 0.359,382 6.68,383 2.25,384 3.446,385 2.557,386 5.26,387 3.243,388 2.268,389 2.466,391 6.643,392 2.205,393 3.272,394 2.438,395 5.069,396 2.917,397 1.957,398 2.443,400 5.831,401 1.869,402 3.107,403 2.144,404 4.75,405 2.791,406 1.808,407 2.242,409 5.01,410 1.766,411 3.017,412 1.936,413 4.606,414 2.672,415 1.666,416 2.155,418 4.849,419 1.671,420 2.775,421 1.718,422 3.711,423 2.562,424 1.581,425 1.854,427 3.3,428 1.545,429 2.644,430 1.491,431 3.585,432 2.376,433 1.386,434 1.644,436 2.993,437 1.37,438 2.5,439 1.38,440 3.563,441 2,442 1,443 1.5,445 2.275,446 1,447 2.5,448 1.148,449 3.414,450 2,451 1,452 1.5,454 2.231,455 1,456 2.462,457 1,458 3.247,459 1.942,460 0.951,461 1.304,463 2.136,464 0.933,465 1.917,466 1,467 3.149,468 1.766,469 0.788,470 0.877,472 1.734,473 0.764,474 17.967,475 0.486,476 0.708,477 0.019,478 43.75,479 1.182,480 21.5,481 0.581,482 22.25,483 0.601,484 35.825,485 0.968,486 40.233,487 0.523,488 33.998,489 0.919,490 8.619,491 0.233,492 9.431,493 0.255,494 0.102,496 0.267,501 0.769,502 1.31,503 0.933,504 1.156,505 0.636,506 1.071,507 1.256,508 0.983,509 1.019,510 0.932,511 0.69,512 0.938,513 1.178,514 1.104,515 1.076,516 1.09,517 0.873,518 1.073,519 1.157,520 1.001,521 1.01,522 0.994,523 1.177,524 0.991,525 1.039,526 0.934,527 0.99,528 0.969,529 0.99,530 0.975,531 0.621,532 0.939,533 0.872,534 0.974,535 0.8,536 0.951,537 1.1,538 0.893,539 0.9,540 0.901,541 0.957,542 0.892,543 1.369,544 0.997,545 1.033,546 0.983,547 1.18,548 0.986,549 7,550 0.233,551 2.889,552 2.514,553 1.427,554 1.049,555 0.692,556 0.365,557 0.379,558 0.244,559 25661,560 50540,561 2.071,562 51.9,563 2,564 28,569 10,572 1.774,573 1.965,574 4.099,575 -0.885,582 99.2,583 1.288,584 3.163,585 4.652,586 5.231,587 5.38,588 5.406,589 3.614,590 4.885,591 5.171,592 4.328,593 2882.77,594 9.066,595 52621.9,600 482.543,601 1.283,602 5.153,603 0.175,604 0.007,605 0.055,606 0.047,607 0.03,608 0.023,609 0.016,610 0.009,611 0.01,612 0.007,613 0.379,614 0.33,615 0.63,616 1.56,617 211.719,618 0.046,619 -0.137,620 0.061,621 -0.048,622 -0.01,623 -0.002,624 -0.105,625 0.144,626 0.001,627 0.078,628 0.017,629 0.058,630 -0.061,631 -0.058,632 -0.072,633 -0.081,634 0.032,635 -0.076,636 -0.049,637 -0.019,638 -0.014,639 -0.014,640 -0.018,641 -0.011,642 0.012,643 0.04,645 0.016,646 -0.001,647 0.009,648 0.178,649 0.005,650 0.094,651 0.023,652 0.148,653 0.049,654 -0.015,655 0.055,656 0.089,657 0.087,658 0.009,659 0.094,660 -0.095,661 -0.006,662 -0.025,663 0.016,664 -0.089,665 0.002,666 1.535,667 5.998,668 0.568,669 65.153,670 0.982,671 1.121,672 5.104,673 26.048,674 0.654,675 3.714,676 3.989,677 4.22,678 4.443,679 4.625,680 4.673,681 4.836,682 4.97,683 5.03,684 5.147,685 10.4,686 0.604,687 496.75,688 3.714,689 5.231,690 6.057,691 6.909,692 7.751,693 8.613,694 9.466,695 10.335,696 11.197,697 12.071,698 2.6,701 2,715 12,720 6,722 18,727 1,739 1,741 77,743 20,744 3,745 40,747 80,748 33,749 18,750 6,751 12,752 3,756 4,757 5,763 2,767 1,770 3,772 21,773 12,777 2,782 1,784 1,786 2,793 40,794 4,796 4,802 2,808 0.75,809 2,828 1,829 3,832 1,849 1,850 1,855 2,859 3,864 3,868 37,876 9,878 1,881 2,893 2.6,896 1,898 1,901 18.833,902 14.567,903 8.417,904 5.082,907 3.86,908 1.467,909 0.969,910 9.846,911 12.127,912 3.951,913 4.472,914 4.992,915 5.507,916 6.025,917 6.207,918 6.593,919 6.974,920 7.282,921 7.67,922 1,923 53,924 13.747,926 5.637,927 0.026,929 7.482,931 27.186,933 22.087,936 1.982,937 73.333,941 470.844,942 201.453,943 6.249,945 36.145,948 201.453,949 506.989,950 6.249,951 26.047,952 22.725,953 123.191,954 30.278,955 41.605,957 470.844,959 470.844,960 207.701,961 36.145,964 353.133,965 153.856,968 46.624,969 151.602,970 9.476,972 470.844,973 42.393,974 201.453,977 470.844,978 52.215,979 155.487,981 36.145,982 470.844,983 42.393,984 201.453,986 0.565,987 0.326,988 0.171,989 0.087,990 22,991 10,992 0.163,993 13,994 1,995 1.095,996 5.008,997 325.992,998 0.095,999 21,1000 176.75,1005 27.008,1006 13.489,1007 7.723,1009 42.393,1010 24.98,1015 6.375,1018 714.69,1019 51,1024 12.998,1026 2.035,1028 0.979,1031 75.647,1032 86.304,1034 0.206,1035 0.505,1036 0.742,1037 0.835,1038 0.859,1039 0.863,1040 5.168,1041 1.808,1042 6.009,1043 5.831,1044 4.673,1045 5.159,1046 1.858,1047 6.756,1048 4.631,1049 6.333,1050 1.666,1051 7.525,1052 5.01,1053 4.111,1054 4.771,1055 0.57,1056 7.513,1057 4.056,1058 7.607,1059 1.581,1060 9.137,1061 4.849,1062 6.205,1063 7.242,1064 1.49,1065 10.594,1066 6.135,1067 8.915,1068 1.386,1069 10.807,1070 3.3,1071 6.479,1072 7.674,1073 0.674,1074 12.219,1075 6.417,1076 10.257,1077 1,1078 12.517,1079 2.993,1080 8.002,1081 9.61,1082 1.248,1083 14.817,1084 7.931,1085 11.622,1086 1,1087 14.256,1088 2.275,1089 8.691,1090 10.453,1091 0.694,1092 16.851,1093 8.644,1094 13.007,1095 0.951,1096 16.017,1097 2.231,1098 9.973,1099 12.138,1100 1.08,1101 19.293,1102 9.926,1103 3.188,1104 0.788,1105 17.797,1106 2.136,1107 10.881,1108 13.21,1109 0.692,1110 21.52,1111 10.864,1112 2.732,1113 10.795,1114 19.594,1115 1.734,1116 12.062,1117 14.763,1118 0.96,1119 23.913,1120 12.053,1121 2.591,1122 7.854,1123 21.404,1124 4.132,1125 13.084,1126 15.97,1127 0.684,1128 26.227,1129 13.105,1130 2.475,1131 7.593,1132 23.228,1133 3.694,1134 14.229,1135 17.451,1136 0.874,1137 28.607,1138 14.264,1139 2.442,1140 7.128,1141 25.063,1142 3.455,1143 15.311,1144 18.739,1145 0.674,1146 30.957,1147 15.372,1148 2.268,1149 6.68,1150 26.907,1151 3.285,1152 16.447,1153 20.181,1154 0.81,1155 33.335,1156 16.525,1157 1.957,1158 6.643,1159 28.761,1160 2.877,1161 17.56,1162 21.517,1163 0.666,1164 35.701,1165 17.661,1166 24654,1167 34834,1168 26.929,1169 50.387,1170 58.203,1171 59.178,1172 59.622,1173 57.739,1174 57.734,1175 73.039,1176 7.387,1177 157.608,1178 56.482,1179 5.463,1180 5.703,1181 6.496,1182 5.258,1183 5.188,1184 7.132,1185 1.855,1186 17.878,1187 5.223,1188 17.536,1189 1.455,1190 1.479,1191 1.491,1192 1.443,1193 1.443,1194 1.826,1195 0.185,1196 3.94,1197 1.412,1198 4.068,1199 4.087,1200 4.021,1201 4.009,1202 7.427,1203 4.008,1204 3.938,1205 3.971,1206 3.87,1207 3.869,1208 4.844,1209 3.865,1210 3.877,1211 3.906,1212 3.81,1213 3.826,1214 4.765,1215 3.819,1216 3.782,1217 3.855,1218 3.64,1219 3.606,1220 4.725,1221 3.603,1222 3.588,1223 3.643,1224 3.488,1225 3.437,1226 4.37,1227 3.442,1228 3.518,1229 3.594,1230 3.368,1231 3.353,1232 4.3,1233 3.342,1234 3.415,1235 3.463,1236 3.284,1237 3.257,1238 4.204,1239 3.259,1240 3.306,1241 3.407,1242 3.04,1243 3.123,1244 4.033,1245 3.089,1246 0.113,1247 0.093,1248 0.167,1249 0.105,1250 0.08,1251 4.527,1252 0.103,1253 3.703,1254 0.025,1255 6.694,1256 0.27,1257 4.199,1258 0.081,1259 3.188,1260 4.132,1261 0.995,1262 10.795,1263 3.223,1264 1.956,1265 1.93,1266 2.073,1267 2.047,1268 1.312,1269 2.058,1270 1.902,1271 1.874,1272 2.026,1273 1.991,1274 1.241,1275 1.999,1276 1.889,1277 1.873,1278 2.007,1279 1.978,1280 1.166,1281 1.994,1282 1.747,1283 1.676,1284 1.965,1285 1.943,1286 1.126,1287 1.953,1288 1.594,1289 1.562,1290 1.837,1291 1.751,1292 1.083,1293 1.782,1294 1.545,1295 1.471,1296 1.765,1297 1.749,1298 0.937,1299 1.759,1300 1.43,1301 1.359,1302 1.725,1303 1.624,1304 0.869,1305 1.638,1306 1.351,1307 1.256,1308 1.657,1309 1.584,1310 0.802,1311 1.635,1312 4.394,1314 5.68,1315 2.398,1316 7.151,1317 4.844,1318 8.704,1319 7.018,1320 10.304,1322 6.55,1328 8.67,1330 5.998,1333 4.748,1340 46.482,1341 99.2,1342 243.526,1343 358.239,1344 402.768,1345 414.278,1346 416.278,1347 69.258,1348 8.267,1349 32.78,1350 32.78,1351 23,1352 12.615,1353 4.392,1354 3.585,1355 65.408,1356 227,1357 231,1358 0.135,1359 287.124,1360 507.86,1361 692.342,1362 55741,1364 26.037,1365 0.704,1366 0.61,1367 26.037,1368 22.58,1369 18.05,1370 0.451,1371 0.34,1372 13.486,1373 17.62,1374 13.026,1375 10.904,1376 18.05,1377 13.601,1378 15.482,1379 0.292,1380 0.188,1381 15.482,1382 9.976,1383 12.852,1384 0.192,1385 0.106,1386 12.852,1387 7.094,1388 10.402,1389 0.124,1390 0.059,1391 10.402,1392 4.953,1393 8.013,1394 0.079,1395 0.031,1396 8.013,1397 3.162,1398 0.224,1399 111.097,1400 0.193,1401 35.121,1402 0.34,1403 186,1404 436.761,1405 195.477,1406 430.134,1407 593.69,1408 406,1409 213,1410 430.964,1411 223.311,1412 445.531,1413 645.88,1414 418,1415 5.403}
{0 CHEMBL599253,1 1.309,2 16.743,3 6.284,4 39.486,5 147.006,6 6.601,7 0.474,8 4.315,9 4.441,10 3.785,11 3.888,12 5.31,13 3.832,14 4.872,15 5.069,16 4.097,17 4.269,18 5.784,19 4.191,20 5.104,21 5.315,22 4.148,23 4.418,24 6.007,25 4.302,26 5.231,27 5.486,28 4.059,29 4.42,30 6.065,31 4.268,32 5.207,33 5.469,34 4.039,35 4.366,36 6.087,37 4.218,38 5.146,39 5.412,40 3.955,41 4.318,42 5.991,43 4.17,44 4.96,45 5.19,46 3.917,47 4.263,48 5.852,49 4.126,50 4.936,51 5.166,52 3.856,53 4.222,54 5.817,55 4.071,56 0.064,57 0.947,58 16.154,59 7.051,60 9.923,61 9.703,62 0.238,63 1.583,64 29.46,65 11.196,66 23.396,67 15.834,68 0.327,69 1.906,70 37.334,71 14.797,72 34.39,73 20.675,74 0.31,75 2.067,76 42.799,77 16.964,78 45.448,79 23.904,80 0.429,81 1.982,82 42.135,83 16.398,84 59.87,85 23.083,86 0.364,87 1.849,88 39.759,89 15.486,90 51.494,91 21.618,92 0.219,93 1.615,94 32.137,95 13.413,96 36.344,97 18.699,98 0.222,99 1.585,100 31.243,101 13.184,102 34.945,103 18.524,104 25,105 51,106 0.204,107 0.492,108 0.702,109 0.791,110 0.818,111 0.823,112 3.588,113 0.995,114 -5.96,115 -5.81,116 -5.41,121 43.7,122 2,123 1,126 1,127 6,137 1,138 1,144 12,145 5,146 1,159 1,176 20,180 8,187 24,191 1,192 10,200 19,206 7,214 12,218 1,219 11,227 14,232 6,239 18,244 4,251 22,255 1,256 5,264 17,268 1,269 5,277 10,281 2592,282 23.98,283 23.98,284 23.98,285 23.98,286 23.98,287 21.545,288 29.774,289 14.335,290 24.382,291 18.66,292 18.66,293 18.66,294 18.66,295 18.66,296 14.939,297 39.503,298 6.725,299 19.193,300 4.841,301 2.995,302 1.65,303 1.079,304 0.905,305 0.877,306 4.284,312 1,313 1248,314 4.243,317 91.223,318 378.574,321 170.177,325 2.936,326 21.393,329 0.75,330 0.5,331 0.83,332 1,333 0.5,334 0.83,335 0.5,336 0.7,337 73,338 586,339 4.53,340 3.705,341 6.698,342 4.201,343 3.19,344 4.137,345 0.995,346 10.816,347 3.225,348 4.088,349 3.042,350 5.686,351 3.712,352 2.732,353 3.694,354 0.86,355 7.845,356 2.686,357 3.93,358 2.923,359 5.574,360 3.573,361 2.59,362 3.455,363 0.8,364 7.567,365 2.548,366 3.834,367 2.763,368 5.393,369 3.439,370 2.487,371 3.261,372 0.68,373 7.073,374 2.391,375 3.566,376 2.721,377 5.284,378 3.348,379 2.408,380 2.858,381 0.359,382 6.693,383 2.241,384 3.438,385 2.598,386 5.221,387 3.221,388 2.252,389 2.556,391 6.565,392 2.174,393 3.318,394 2.438,395 5.121,396 2.954,397 1.977,398 2.431,400 5.99,401 1.925,402 3.134,403 2.134,404 4.765,405 2.829,406 1.848,407 2.261,409 5.042,410 1.798,411 2.993,412 1.908,413 4.605,414 2.616,415 1.618,416 2.119,418 4.809,419 1.611,420 2.772,421 1.525,422 3.574,423 2.376,424 1.386,425 1.849,427 2.992,428 1.369,429 2.5,430 1.487,431 3.54,432 2.116,433 1.186,434 1.5,436 2.524,437 1.093,438 2.5,439 1.317,440 3.452,441 2,442 1,443 1.5,445 2.275,446 1,447 2.4,448 1,449 3.414,450 2,451 1,452 1.275,454 2.136,455 1,456 2.255,457 1,458 3.247,459 1.84,460 0.805,461 1.167,463 2.01,464 0.828,465 1.618,466 0.744,467 3.061,468 1.591,469 0.618,470 0.618,472 0.836,473 0.6,474 16.967,475 0.485,476 0.708,477 0.02,478 42.75,479 1.221,480 21.5,481 0.614,482 21.25,483 0.607,484 32.039,485 0.915,486 37.633,487 0.53,488 33.476,489 0.956,490 8.614,491 0.246,492 8.437,493 0.241,494 0.108,496 0.283,501 0.764,502 1.3,503 0.903,504 1.135,505 0.636,506 1.046,507 1.269,508 0.946,509 0.993,510 0.889,511 0.697,512 0.897,513 1.152,514 1.088,515 1.095,516 1.092,517 0.892,518 1.086,519 1.042,520 1.051,521 0.998,522 1.046,523 1.178,524 1.024,525 1.04,526 0.958,527 0.927,528 0.959,529 0.888,530 0.939,531 1.346,532 0.811,533 0.936,534 0.822,535 1.213,536 0.846,537 0.953,538 1.015,539 1.02,540 1.033,541 1.308,542 1.036,543 0.673,544 1.192,545 1.064,546 1.201,547 1.01,548 1.176,549 7,550 0.195,551 2.889,552 2.389,553 1.427,554 1.105,555 0.732,556 0.318,557 0.43,558 0.284,559 21379,560 43766,561 2.075,562 50.7,563 2,564 28,569 6,572 1.761,573 1.963,574 3.988,575 -0.879,582 92.935,583 1.309,584 3.154,585 4.5,586 5.07,587 5.245,588 5.273,589 3.49,590 4.786,591 5.093,592 4.205,593 2502.11,594 8.911,595 42734.8,600 436.632,601 1.316,602 5.07,603 0.184,604 0.006,605 0.057,606 0.047,607 0.032,608 0.025,609 0.017,610 0.008,611 0.012,612 0.008,613 0.396,614 0.33,615 0.63,616 1.326,617 195.59,618 0.042,619 -0.146,620 0.063,621 -0.052,622 -0.022,623 -0.004,624 -0.116,625 0.178,626 0.014,627 0.106,628 0.006,629 0.083,630 -0.019,631 -0.039,632 -0.099,633 -0.088,634 0.021,635 -0.097,636 -0.014,637 -0.076,638 -0.011,639 -0.059,640 -0.026,641 -0.038,642 0.121,643 0.002,644 0.072,645 0.019,646 0.136,647 0.039,648 -0.096,649 0.137,650 0.069,651 0.156,652 -0.027,653 0.13,654 -0.064,655 -0.016,656 -0.048,657 -0.014,658 -0.087,659 -0.028,660 0.078,661 -0.191,662 -0.103,663 -0.179,664 -0.061,665 -0.163,666 1.555,667 6.075,668 0.6,669 55.494,670 0.984,671 1.119,672 4.73,673 22.377,674 0.66,675 3.664,676 3.951,677 4.19,678 4.419,679 4.615,680 4.654,681 4.828,682 4.97,683 5.037,684 5.165,685 9.592,686 0.612,687 468.69,688 3.664,689 5.187,690 6.019,691 6.876,692 7.724,693 8.59,694 9.448,695 10.32,696 11.187,697 12.063,698 2.8,701 2,715 12,720 6,722 18,727 1,739 1,741 71,743 20,744 3,745 38,747 74,748 31,749 18,750 6,751 12,752 3,756 4,757 5,763 2,767 1,770 1,772 21,773 10,777 2,782 1,784 1,786 2,793 36,794 4,796 4,802 2,808 0.75,809 2,828 1,829 3,832 1,849 1,850 1,855 2,859 3,864 3,868 35,876 7,878 1,881 2,893 2.8,896 1,898 1,901 17.833,902 13.567,903 7.917,904 4.582,907 3.862,908 1.474,909 0.974,910 8.653,911 12.015,912 3.912,913 4.449,914 4.978,915 5.499,916 6.031,917 6.189,918 6.593,919 6.988,920 7.294,921 7.684,922 1,923 51,924 12.992,926 5.353,927 0.026,929 7.51,931 25.553,933 20.754,936 2.01,937 70.333,941 423.76,942 196.384,943 6.249,945 36.145,948 196.384,949 459.904,950 6.249,951 26.047,952 17.655,953 123.191,954 30.278,955 41.605,957 423.76,959 423.76,960 202.632,961 36.145,964 353.133,965 106.771,968 41.554,969 151.602,970 9.476,972 423.76,973 42.393,974 196.384,977 423.76,978 47.146,979 155.487,981 36.145,982 423.76,983 42.393,984 196.384,986 0.569,987 0.33,988 0.172,989 0.089,990 22,991 10,992 0.149,993 11,994 1,995 1.095,996 4.778,997 308.033,998 0.095,999 21,1000 167.525,1005 25.066,1006 12.082,1007 6.764,1009 42.393,1010 24.971,1015 6.263,1018 662.537,1019 49,1024 13.075,1026 2.028,1028 0.954,1031 69.879,1032 79.474,1034 0.213,1035 0.513,1036 0.732,1037 0.824,1038 0.853,1039 0.857,1040 5.133,1041 1.848,1042 5.979,1043 5.99,1044 4.635,1045 5.136,1046 1.858,1047 6.737,1048 4.591,1049 6.308,1050 1.618,1051 7.503,1052 5.042,1053 4.111,1054 4.771,1055 0.57,1056 7.513,1057 4.056,1058 7.588,1059 1.386,1060 9.122,1061 4.809,1062 6.18,1063 7.233,1064 1.49,1065 10.59,1066 6.108,1067 8.901,1068 1.186,1069 10.797,1070 2.992,1071 6.479,1072 7.674,1073 0.674,1074 12.221,1075 6.417,1076 10.247,1077 1,1078 12.51,1079 2.524,1080 7.989,1081 9.607,1082 1.248,1083 14.82,1084 7.916,1085 11.615,1086 1,1087 14.251,1088 2.275,1089 8.691,1090 10.453,1091 0.694,1092 16.858,1093 8.644,1094 13.002,1095 0.805,1096 16.014,1097 2.136,1098 9.967,1099 12.138,1100 1.08,1101 19.301,1102 9.919,1103 3.19,1104 0.618,1105 17.796,1106 2.01,1107 10.882,1108 13.212,1109 0.692,1110 21.533,1111 10.864,1112 2.732,1113 10.816,1114 19.593,1115 0.836,1116 12.061,1117 14.765,1118 0.96,1119 23.928,1120 12.052,1121 2.59,1122 7.845,1123 21.405,1124 4.137,1125 13.087,1126 15.974,1127 0.684,1128 26.245,1129 13.107,1130 2.487,1131 7.567,1132 23.23,1133 3.694,1134 14.232,1135 17.455,1136 0.874,1137 28.627,1138 14.266,1139 2.408,1140 7.073,1141 25.065,1142 3.455,1143 15.316,1144 18.745,1145 0.674,1146 30.981,1147 15.376,1148 2.252,1149 6.693,1150 26.911,1151 3.261,1152 16.453,1153 20.189,1154 0.81,1155 33.36,1156 16.53,1157 1.977,1158 6.565,1159 28.766,1160 2.858,1161 17.568,1162 21.527,1163 0.666,1164 35.729,1165 17.667,1166 20482,1167 29480,1168 25.542,1169 46.864,1170 55.817,1171 56.768,1172 57.081,1173 55.249,1174 55.228,1175 70.553,1176 7.387,1177 152.646,1178 53.976,1179 5.435,1180 5.705,1181 6.5,1182 5.267,1183 5.19,1184 7.137,1185 1.855,1186 17.865,1187 5.225,1188 16.702,1189 1.469,1190 1.494,1191 1.502,1192 1.454,1193 1.453,1194 1.857,1195 0.194,1196 4.017,1197 1.42,1198 4.067,1199 4.086,1200 4.021,1201 4.008,1202 7.427,1203 4.008,1204 3.938,1205 3.971,1206 3.87,1207 3.869,1208 4.844,1209 3.865,1210 3.877,1211 3.905,1212 3.81,1213 3.826,1214 4.765,1215 3.819,1216 3.746,1217 3.822,1218 3.611,1219 3.544,1220 4.726,1221 3.549,1222 3.556,1223 3.614,1224 3.462,1225 3.424,1226 4.392,1227 3.426,1228 3.454,1229 3.504,1230 3.334,1231 3.268,1232 4.251,1233 3.274,1234 3.306,1235 3.407,1236 3.105,1237 3.123,1238 4.192,1239 3.096,1240 3.286,1241 3.356,1242 3.04,1243 3.11,1244 3.999,1245 3.089,1246 0.119,1247 0.097,1248 0.176,1249 0.111,1250 0.084,1251 4.53,1252 0.109,1253 3.705,1254 0.026,1255 6.698,1256 0.285,1257 4.201,1258 0.085,1259 3.19,1260 4.137,1261 0.995,1262 10.816,1263 3.225,1264 1.956,1265 1.93,1266 2.073,1267 2.047,1268 1.241,1269 2.058,1270 1.902,1271 1.874,1272 2.026,1273 1.988,1274 1.209,1275 1.996,1276 1.888,1277 1.873,1278 1.987,1279 1.978,1280 1.162,1281 1.988,1282 1.697,1283 1.62,1284 1.942,1285 1.913,1286 1.123,1287 1.926,1288 1.594,1289 1.562,1290 1.765,1291 1.751,1292 0.942,1293 1.759,1294 1.431,1295 1.36,1296 1.725,1297 1.626,1298 0.885,1299 1.639,1300 1.351,1301 1.264,1302 1.667,1303 1.584,1304 0.869,1305 1.638,1306 1.332,1307 1.256,1308 1.637,1309 1.571,1310 0.798,1311 1.595,1312 4.344,1314 5.638,1315 2.398,1316 7.119,1317 4.844,1318 8.681,1319 7.018,1320 10.287,1322 6.45,1328 6.027,1330 5.932,1333 4.633,1340 43.428,1341 92.935,1342 223.955,1343 319.474,1344 360.003,1345 372.367,1346 374.367,1347 62.384,1348 8.153,1349 32.78,1350 32.78,1351 23,1352 12.604,1353 4.392,1354 3.585,1355 59.985,1356 200,1357 194,1358 0.143,1359 267.939,1360 473.26,1361 645.532,1362 46936,1364 24.623,1365 0.704,1366 0.605,1367 24.623,1368 21.166,1369 17.05,1370 0.449,1371 0.332,1372 12.486,1373 16.622,1374 12.045,1375 10.072,1376 17.05,1377 12.601,1378 14.774,1379 0.29,1380 0.182,1381 14.774,1382 9.269,1383 12.359,1384 0.19,1385 0.102,1386 12.359,1387 6.638,1388 10.002,1389 0.122,1390 0.056,1391 10.002,1392 4.601,1393 7.848,1394 0.078,1395 0.029,1396 7.848,1397 2.859,1398 0.235,1399 105.097,1400 0.198,1401 33.341,1402 0.363,1403 178,1404 428.761,1405 187.477,1406 421.811,1407 582.17,1408 398,1409 205,1410 422.964,1411 215.366,1412 437.213,1413 634.5,1414 410,1415 5.815}
{0 CHEMBL599254,1 1.298,2 17.444,3 6.346,4 40.274,5 151.871,6 6.523,7 0.462,8 4.353,9 4.48,10 3.811,11 3.924,12 5.336,13 3.865,14 4.914,15 5.114,16 4.119,17 4.305,18 5.812,19 4.223,20 5.153,21 5.371,22 4.169,23 4.452,24 6.034,25 4.333,26 5.278,27 5.538,28 4.079,29 4.457,30 6.1,31 4.301,32 5.235,33 5.498,34 4.06,35 4.422,36 6.088,37 4.263,38 5.227,39 5.5,40 3.98,41 4.367,42 6.052,43 4.206,44 5.056,45 5.31,46 3.92,47 4.266,48 5.907,49 4.127,50 4.891,51 5.104,52 3.887,53 4.223,54 5.783,55 4.087,56 0.07,57 0.987,58 17.021,59 7.403,60 10.449,61 10.235,62 0.244,63 1.648,64 30.924,65 11.795,66 24.172,67 16.759,68 0.287,69 1.995,70 39.34,71 15.564,72 34.994,73 21.856,74 0.408,75 2.155,76 45.033,77 17.56,78 49.735,79 24.874,80 0.377,81 2.059,82 42.858,83 17.287,84 53.826,85 24.498,86 0.35,87 1.978,88 42.875,89 16.954,90 54.32,91 23.757,92 0.334,93 1.704,94 36.149,95 14.124,96 44.045,97 19.689,98 0.164,99 1.536,100 29.794,101 12.648,102 29.178,103 17.685,104 26,105 52,106 0.201,107 0.491,108 0.712,109 0.797,110 0.823,111 0.827,112 3.615,113 1.008,114 -6.15,115 -5.99,116 -5.57,121 43.2,122 2,123 2,126 1,127 6,137 1,138 1,144 12,145 5,146 1,159 1,176 20,180 10,187 24,192 10,200 19,205 1,206 7,214 16,218 1,219 7,227 16,232 8,239 19,244 6,251 20,256 4,264 18,268 2,269 6,277 13,281 2886,282 24.687,283 24.687,284 24.687,285 24.687,286 24.687,287 22.252,288 31.543,289 14.835,290 25.086,291 19.16,292 19.16,293 19.16,294 19.16,295 19.16,296 15.439,297 42.182,298 6.972,299 19.693,300 4.911,301 3.037,302 1.61,303 1.063,304 0.895,305 0.868,306 4.312,312 1,313 1334,314 4.359,317 95.243,318 393.039,321 177.11,325 3.136,326 21.775,329 0.75,330 0.5,331 0.83,332 1,333 0.5,334 0.83,335 0.5,336 0.7,337 75,338 628,339 4.53,340 3.705,341 6.698,342 4.201,343 3.19,344 4.136,345 0.995,346 10.816,347 3.225,348 4.088,349 3.042,350 5.686,351 3.712,352 2.732,353 3.694,354 0.86,355 7.845,356 2.686,357 3.93,358 2.904,359 5.574,360 3.573,361 2.589,362 3.455,363 0.8,364 7.567,365 2.548,366 3.833,367 2.777,368 5.392,369 3.431,370 2.471,371 3.261,372 0.68,373 7.071,374 2.39,375 3.563,376 2.721,377 5.273,378 3.36,379 2.429,380 2.857,381 0.359,382 6.656,383 2.247,384 3.444,385 2.608,386 5.233,387 3.228,388 2.258,389 2.553,391 6.608,392 2.182,393 3.324,394 2.441,395 5.121,396 2.96,397 1.983,398 2.442,400 5.993,401 1.931,402 3.134,403 2.136,404 4.765,405 2.829,406 1.849,407 2.261,409 5.042,410 1.798,411 2.994,412 1.917,413 4.605,414 2.621,415 1.624,416 2.12,418 4.81,419 1.615,420 2.772,421 1.642,422 3.605,423 2.392,424 1.428,425 1.849,427 3.004,428 1.373,429 2.5,430 1.489,431 3.574,432 2.374,433 1.385,434 1.5,436 2.991,437 1.363,438 2.5,439 1.318,440 3.54,441 2,442 1,443 1.5,445 2.275,446 1,447 2.492,448 1,449 3.414,450 2,451 1,452 1.491,454 2.136,455 1,456 2.393,457 1,458 3.247,459 1.85,460 0.819,461 1.196,463 2.028,464 0.839,465 1.724,466 0.911,467 3.088,468 1.591,469 0.618,470 0.625,472 1.232,473 0.6,474 17.467,475 0.485,476 0.708,477 0.02,478 43.25,479 1.201,480 21.5,481 0.597,482 21.75,483 0.604,484 33.919,485 0.942,486 38.933,487 0.526,488 33.786,489 0.938,490 8.619,491 0.239,492 8.931,493 0.248,494 0.105,496 0.275,501 0.766,502 1.305,503 0.918,504 1.145,505 0.636,506 1.059,507 1.262,508 0.965,509 1.006,510 0.911,511 0.693,512 0.918,513 1.194,514 1.111,515 1.086,516 1.097,517 0.886,518 1.081,519 1.115,520 0.976,521 1.014,522 0.985,523 1.194,524 0.991,525 0.739,526 1.007,527 0.921,528 1.028,529 0.816,530 0.995,531 1.204,532 0.884,533 0.916,534 0.897,535 1.137,536 0.891,537 1.453,538 0.826,539 0.975,540 0.83,541 1.384,542 0.863,543 0.812,544 1.218,545 1.088,546 1.216,547 1.083,548 1.184,549 7,550 0.269,551 2.889,552 2.389,553 1.507,554 0.994,555 0.773,556 0.333,557 0.367,558 0.275,559 23422,560 46937,561 2.073,562 51.4,563 2,564 28,569 6,570 2,572 1.768,573 1.964,574 4.042,575 -0.882,582 96.078,583 1.298,584 3.173,585 4.599,586 5.147,587 5.314,588 5.341,589 3.52,590 4.593,591 5.132,592 4.267,593 2688.2,594 8.99,595 47437.7,600 459.5,601 1.3,602 5.112,603 0.179,604 0.008,605 0.056,606 0.046,607 0.033,608 0.022,609 0.018,610 0.008,611 0.009,612 0.008,613 0.388,614 0.33,615 0.63,616 1.446,617 203.577,618 0.044,619 -0.141,620 0.062,621 -0.05,622 -0.016,623 -0.003,624 -0.11,625 0.16,626 0.007,627 0.091,628 0.012,629 0.07,630 -0.069,631 -0.064,632 -0.085,633 -0.09,634 0.022,635 -0.087,636 -0.003,637 0.006,638 -0.018,639 -0.005,640 -0.03,641 -0.012,642 0.17,643 -0.039,644 0.057,645 -0.035,646 0.146,647 -0.001,648 -0.029,649 0.051,650 0.08,651 0.083,652 0.012,653 0.089,654 -0.133,655 0.143,656 0.036,657 0.155,658 -0.094,659 0.115,660 -0.017,661 -0.191,662 -0.12,663 -0.178,664 -0.081,665 -0.162,666 1.551,667 6.099,668 0.583,669 60.417,670 0.983,671 1.12,672 4.918,673 24.189,674 0.657,675 3.689,676 3.97,677 4.205,678 4.431,679 4.625,680 4.654,681 4.828,682 4.977,683 5.024,684 5.159,685 9.983,686 0.607,687 482.72,688 3.689,689 5.209,690 6.038,691 6.893,692 7.738,693 8.601,694 9.458,695 10.327,696 11.193,697 12.067,698 2.7,701 2,715 12,720 6,722 18,727 1,739 1,741 74,743 20,744 3,745 39,747 77,748 32,749 18,750 6,751 12,752 3,756 4,757 5,763 2,767 1,770 2,772 21,773 11,777 2,782 1,784 1,786 2,793 38,794 4,796 4,802 2,808 0.75,809 2,828 1,829 3,832 1,849 1,850 1,855 2,859 3,864 3,868 36,876 8,878 1,881 2,893 2.7,896 1,898 1,901 18.333,902 14.067,903 8.167,904 4.832,907 3.861,908 1.47,909 0.971,910 9.243,911 12.072,912 3.932,913 4.46,914 4.985,915 5.503,916 6.034,917 6.187,918 6.589,919 6.985,920 7.284,921 7.677,922 0.917,923 52,924 13.371,926 5.496,927 0.026,929 7.495,931 26.369,933 21.421,936 1.995,937 71.833,941 447.302,942 198.918,943 6.249,945 36.145,948 198.918,949 483.447,950 6.249,951 26.047,952 20.19,953 123.191,954 30.278,955 41.605,957 447.302,959 447.302,960 205.167,961 36.145,964 353.133,965 130.314,968 44.089,969 151.602,970 9.476,972 447.302,973 42.393,974 198.918,977 447.302,978 49.68,979 155.487,981 36.145,982 447.302,983 42.393,984 198.918,986 0.567,987 0.329,988 0.172,989 0.089,990 22,991 10,992 0.156,993 12,994 1,995 1.095,996 4.891,997 317.168,998 0.095,999 21,1000 174.117,1005 26.036,1006 12.781,1007 7.245,1009 42.393,1010 25.012,1015 6.288,1018 688.614,1019 50,1024 13.099,1026 2.032,1028 0.961,1031 72.763,1032 82.889,1034 0.209,1035 0.511,1036 0.741,1037 0.829,1038 0.856,1039 0.86,1040 5.15,1041 1.849,1042 5.994,1043 5.993,1044 4.654,1045 5.147,1046 1.858,1047 6.746,1048 4.611,1049 6.32,1050 1.624,1051 7.514,1052 5.042,1053 4.111,1054 4.771,1055 0.57,1056 7.513,1057 4.056,1058 7.597,1059 1.428,1060 9.129,1061 4.81,1062 6.192,1063 7.238,1064 1.49,1065 10.592,1066 6.122,1067 8.908,1068 1.385,1069 10.802,1070 3.004,1071 6.479,1072 7.674,1073 0.674,1074 12.221,1075 6.417,1076 10.252,1077 1,1078 12.514,1079 2.991,1080 7.995,1081 9.609,1082 1.248,1083 14.82,1084 7.924,1085 11.618,1086 1,1087 14.254,1088 2.275,1089 8.691,1090 10.453,1091 0.694,1092 16.858,1093 8.644,1094 13.005,1095 0.819,1096 16.016,1097 2.136,1098 9.97,1099 12.138,1100 1.08,1101 19.301,1102 9.923,1103 3.19,1104 0.618,1105 17.797,1106 2.028,1107 10.882,1108 13.212,1109 0.692,1110 21.533,1111 10.865,1112 2.732,1113 10.816,1114 19.594,1115 1.232,1116 12.063,1117 14.765,1118 0.96,1119 23.928,1120 12.053,1121 2.589,1122 7.845,1123 21.405,1124 4.136,1125 13.087,1126 15.974,1127 0.684,1128 26.245,1129 13.107,1130 2.471,1131 7.567,1132 23.23,1133 3.694,1134 14.233,1135 17.455,1136 0.874,1137 28.627,1138 14.267,1139 2.429,1140 7.071,1141 25.065,1142 3.455,1143 15.316,1144 18.745,1145 0.674,1146 30.981,1147 15.376,1148 2.258,1149 6.656,1150 26.911,1151 3.261,1152 16.453,1153 20.189,1154 0.81,1155 33.36,1156 16.53,1157 1.983,1158 6.608,1159 28.766,1160 2.857,1161 17.568,1162 21.527,1163 0.666,1164 35.729,1165 17.667,1166 22473,1167 32012,1168 26.235,1169 48.626,1170 57.056,1171 58.113,1172 58.458,1173 56.507,1174 56.461,1175 71.776,1176 7.387,1177 155.132,1178 55.21,1179 5.453,1180 5.705,1181 6.5,1182 5.262,1183 5.19,1184 7.136,1185 1.855,1186 17.865,1187 5.225,1188 17.104,1189 1.463,1190 1.49,1191 1.499,1192 1.449,1193 1.448,1194 1.84,1195 0.189,1196 3.978,1197 1.416,1198 4.068,1199 4.087,1200 4.021,1201 4.008,1202 7.427,1203 4.008,1204 3.938,1205 3.971,1206 3.87,1207 3.869,1208 4.843,1209 3.865,1210 3.877,1211 3.905,1212 3.81,1213 3.826,1214 4.765,1215 3.819,1216 3.766,1217 3.842,1218 3.628,1219 3.577,1220 4.726,1221 3.579,1222 3.567,1223 3.621,1224 3.475,1225 3.43,1226 4.383,1227 3.434,1228 3.484,1229 3.552,1230 3.346,1231 3.29,1232 4.282,1233 3.29,1234 3.38,1235 3.436,1236 3.22,1237 3.235,1238 4.201,1239 3.223,1240 3.306,1241 3.407,1242 3.04,1243 3.123,1244 4.012,1245 3.089,1246 0.116,1247 0.095,1248 0.172,1249 0.108,1250 0.082,1251 4.53,1252 0.106,1253 3.705,1254 0.026,1255 6.698,1256 0.277,1257 4.201,1258 0.083,1259 3.19,1260 4.136,1261 0.995,1262 10.816,1263 3.225,1264 1.956,1265 1.93,1266 2.073,1267 2.047,1268 1.263,1269 2.058,1270 1.902,1271 1.874,1272 2.026,1273 1.99,1274 1.241,1275 1.997,1276 1.889,1277 1.873,1278 1.995,1279 1.978,1280 1.165,1281 1.992,1282 1.724,1283 1.65,1284 1.957,1285 1.931,1286 1.125,1287 1.943,1288 1.594,1289 1.562,1290 1.777,1291 1.751,1292 1.021,1293 1.76,1294 1.466,1295 1.394,1296 1.759,1297 1.68,1298 0.935,1299 1.713,1300 1.429,1301 1.359,1302 1.725,1303 1.623,1304 0.869,1305 1.638,1306 1.351,1307 1.256,1308 1.653,1309 1.584,1310 0.801,1311 1.633,1312 4.369,1314 5.659,1315 2.398,1316 7.135,1317 4.844,1318 8.693,1319 7.018,1320 10.296,1322 6.504,1328 7.285,1330 5.952,1333 4.7,1340 44.955,1341 96.078,1342 234.768,1343 340.341,1344 380.87,1345 393.235,1346 395.235,1347 65.948,1348 8.211,1349 32.78,1350 32.78,1351 23,1352 12.61,1353 4.392,1354 3.585,1355 62.668,1356 213,1357 210,1358 0.139,1359 277.532,1360 490.56,1361 668.937,1362 51234,1364 25.33,1365 0.704,1366 0.608,1367 25.33,1368 21.873,1369 17.55,1370 0.45,1371 0.336,1372 12.986,1373 17.12,1374 12.536,1375 10.487,1376 17.55,1377 13.101,1378 15.128,1379 0.291,1380 0.185,1381 15.128,1382 9.623,1383 12.609,1384 0.191,1385 0.104,1386 12.609,1387 6.849,1388 10.173,1389 0.123,1390 0.058,1391 10.173,1392 4.787,1393 8.007,1394 0.079,1395 0.03,1396 8.007,1397 3.044,1398 0.23,1399 108.097,1400 0.195,1401 34.228,1402 0.352,1403 182,1404 432.761,1405 191.477,1406 425.973,1407 587.93,1408 402,1409 209,1410 426.964,1411 219.311,1412 441.37,1413 640.14,1414 414,1415 5.879}
{0 CHEMBL599644,1 1.269,2 20.25,3 8.058,4 64.935,5 168.362,6 6.391,7 0.409,8 4.482,9 4.61,10 3.926,11 4.058,12 5.409,13 3.994,14 5.07,15 5.268,16 4.234,17 4.465,18 5.915,19 4.369,20 5.364,21 5.6,22 4.287,23 4.629,24 6.169,25 4.488,26 5.449,27 5.724,28 4.186,29 4.59,30 6.221,31 4.423,32 5.347,33 5.607,34 4.134,35 4.535,36 6.15,37 4.376,38 5.331,39 5.597,40 4.08,41 4.515,42 6.131,43 4.34,44 5.258,45 5.534,46 4.013,47 4.45,48 5.991,49 4.274,50 5.163,51 5.421,52 3.96,53 4.353,54 5.944,55 4.192,56 0.085,57 1.126,58 19.789,59 8.624,60 11.04,61 11.993,62 0.264,63 1.925,64 36.361,65 14.246,66 25.005,67 20.296,68 0.325,69 2.431,70 48.661,71 19.619,72 40.414,73 27.773,74 0.416,75 2.529,76 53.249,77 20.642,78 53.401,79 29.467,80 0.374,81 2.297,82 48.03,83 19.046,84 51.353,85 26.885,86 0.489,87 2.238,88 47.114,89 19.22,90 58.568,91 27.147,92 0.253,93 2.091,94 43.278,95 18.197,96 36.836,97 25.799,98 0.29,99 1.897,100 39.807,101 16.101,102 37.423,103 22.61,104 5,105 58,106 0.191,107 0.466,108 0.682,109 0.787,110 0.82,111 0.838,112 3.717,113 1.035,114 -6.48,115 -6.31,116 -5.86,121 42.9,123 8,126 1,127 6,137 1,138 1,144 12,145 5,146 1,159 1,176 25,180 10,187 27,192 13,200 20,206 12,214 18,219 5,227 23,231 2,232 4,239 28,244 3,251 26,256 7,264 19,268 1,269 8,277 12,281 3982,282 27.637,283 27.637,284 27.637,285 27.637,286 27.637,287 25.202,288 29.975,289 16.966,290 27.964,291 21.804,292 21.804,293 21.804,294 21.804,295 21.804,296 18.057,297 35.211,298 8.202,299 22.308,300 5.123,301 3.306,302 1.873,303 1.176,304 0.959,305 0.836,306 4.427,313 1764,314 4.062,318 727.955,322 214.805,325 3.813,326 22.386,329 0.5,330 0.5,331 0.5,332 0.8,333 1,334 0.5,335 0.5,336 0.61,337 83,338 810,339 4.478,340 3.66,341 6.639,342 4.145,343 3.134,344 4.085,345 0.995,346 10.564,347 3.17,348 4.105,349 3.042,350 5.789,351 3.72,352 2.738,353 3.708,354 0.86,355 8.056,356 2.697,357 3.941,358 2.956,359 5.591,360 3.594,361 2.615,362 3.455,363 0.8,364 7.673,365 2.562,366 3.874,367 2.83,368 5.413,369 3.478,370 2.522,371 3.319,372 0.359,373 7.148,374 2.457,375 3.585,376 2.721,377 5.34,378 3.451,379 2.492,380 2.889,382 6.965,383 2.343,384 3.522,385 2.542,386 5.265,387 3.246,388 2.275,389 2.56,391 6.699,392 2.206,393 3.347,394 2.483,395 5.107,396 3.012,397 2.048,398 2.522,400 6.094,401 1.962,402 3.118,403 2.195,404 4.675,405 2.828,406 1.853,407 2.248,409 4.978,410 1.8,411 3.016,412 1.974,413 4.595,414 2.734,415 1.741,416 2.143,418 4.734,419 1.728,420 2.778,421 1.815,422 3.817,423 2.718,424 1.717,425 1.854,427 3.574,428 1.712,429 2.768,430 1.583,431 3.637,432 2.455,433 1.477,434 1.774,436 3.093,437 1.44,438 2.525,439 1.498,440 3.592,441 2.377,442 1.387,443 1.5,445 2.993,446 1.371,447 2.5,448 1.483,449 3.569,450 2.045,451 1.074,452 1.5,454 2.41,455 1.034,456 2.5,457 1.257,458 3.414,459 2,460 1,461 1.5,463 2.275,464 1,465 2.463,466 1.077,467 3.248,468 2,469 1,470 1.365,472 2.136,473 1,474 19.467,475 0.487,476 0.708,477 0.018,478 45.75,479 1.144,480 21.5,481 0.538,482 24.25,483 0.606,484 40.921,485 1.023,486 43.533,487 0.518,488 34.839,489 0.871,490 8.575,491 0.214,492 11.061,493 0.277,494 0.043,496 0.247,501 0.765,502 1.285,503 0.938,504 1.143,505 0.59,506 1.066,507 1.226,508 1.045,509 1.073,510 1.008,511 0.671,512 1.013,513 1.059,514 1.122,515 1.056,516 1.104,517 0.81,518 1.082,519 1.188,520 0.955,521 0.974,522 0.947,523 1.23,524 0.944,525 1.259,526 0.97,527 1.03,528 0.987,529 1.284,530 0.992,531 0.878,532 0.931,533 0.985,534 0.982,535 0.918,536 0.993,537 0.664,538 0.949,539 0.883,540 0.978,541 0.809,542 0.954,543 1.175,544 1.025,545 0.996,546 1.019,547 1.082,548 1.004,549 6.5,550 0.157,551 2.889,552 1.938,553 1.902,554 0.826,555 0.786,556 0.313,557 0.352,558 0.287,559 35100,560 64745,561 2.138,562 52.4,563 8,564 28,569 8,572 1.791,573 2.069,574 4.246,575 -0.894,582 106.622,583 1.269,584 3.086,585 4.519,586 5.216,587 5.434,588 5.556,589 3.746,590 4.803,591 5.282,592 4.478,593 3492.89,594 9.28,595 69148.4,600 536.955,601 1.076,602 5.283,603 0.148,604 0.004,605 0.05,606 0.033,607 0.037,608 0.017,609 0.017,610 0.007,611 0.009,612 0.007,613 0.329,614 0.33,615 0.5,616 0.349,617 235.732,618 0.049,619 -0.11,620 0.068,621 -0.028,622 0.032,623 0.012,624 -0.106,625 0.082,626 -0.051,627 0.015,628 0.023,629 -0.005,630 -0.028,631 -0.095,632 -0.059,633 -0.094,634 0.049,635 -0.081,636 -0.034,637 0.021,638 0.025,639 0.022,640 0.007,641 0.028,642 -0.071,643 0.013,644 -0.028,646 -0.036,647 -0.008,648 0.141,649 0.032,651 0.013,652 0.099,653 -0.001,654 0.055,655 0.006,656 0.079,657 0.025,658 0.046,659 0.05,660 -0.029,661 -0.058,663 -0.022,664 -0.053,665 -0.013,666 1.516,667 6.261,668 0.7,669 78.483,670 0.981,671 1.121,672 5.255,673 27.615,674 0.654,675 3.807,676 4.078,677 4.304,678 4.533,679 4.754,680 4.745,681 4.883,682 5.011,683 5.124,684 5.193,685 11.478,686 0.602,687 536.82,688 3.807,689 5.323,690 6.146,691 6.993,692 7.83,693 8.683,694 9.529,695 10.387,696 11.239,697 12.101,698 2.4,701 2,715 12,720 6,722 18,727 1,739 1,741 84,743 20,744 3,745 44,747 88,748 36,749 18,750 6,751 12,752 3,756 5,757 6,767 5,770 8,772 21,773 15,777 2,782 1,784 1,786 2,793 44,794 4,796 4,802 2,808 0.8,809 2,829 5,833 1,849 1,850 1,855 2,859 4,864 1,868 40,876 14,878 1,881 2,893 2.4,896 1,898 1,901 19.333,902 15.067,903 8.917,904 5.582,907 3.841,908 1.445,909 0.984,910 10.363,911 12.47,912 4.025,913 4.527,914 5.032,915 5.527,916 6.038,917 6.177,918 6.535,919 6.883,920 7.218,921 7.553,922 0.929,923 58,924 14.912,926 6.216,927 0.026,929 7.421,931 29.854,933 24.932,936 1.921,937 76.833,941 517.928,942 196.475,943 6.249,945 36.145,948 196.475,949 554.073,950 6.249,951 8.396,952 35.397,953 123.191,954 30.278,955 41.605,957 517.928,959 517.928,960 202.724,961 36.145,964 423.76,965 130.314,968 41.646,969 151.602,970 9.476,972 517.928,973 42.393,974 196.475,977 517.928,978 64.888,979 137.836,981 36.145,982 517.928,983 42.393,984 196.475,986 0.566,987 0.32,988 0.173,989 0.095,990 25,991 10,992 0.136,993 12,994 1,995 1.071,996 5.412,997 364.538,998 0.071,999 28,1000 198.877,1005 28.488,1006 14.551,1007 8.481,1009 42.393,1010 25.169,1015 6.506,1018 756.797,1019 55,1024 13.261,1026 2.067,1028 1.043,1031 82.414,1032 94.135,1034 0.199,1035 0.483,1036 0.707,1037 0.816,1038 0.85,1039 0.869,1040 5.244,1041 1.853,1042 6.084,1043 6.094,1044 4.762,1045 5.215,1046 1.702,1047 6.812,1048 4.724,1049 6.391,1050 1.741,1051 7.583,1052 4.978,1053 4.111,1054 4.771,1055 0.57,1056 7.513,1057 4.056,1058 7.655,1059 1.717,1060 9.18,1061 4.734,1062 6.271,1063 7.266,1064 1.388,1065 10.61,1066 6.204,1067 8.95,1068 1.477,1069 10.838,1070 3.574,1071 6.463,1072 7.667,1073 0.674,1074 12.187,1075 6.4,1076 10.281,1077 1.387,1078 12.538,1079 3.093,1080 8.037,1081 9.611,1082 1.19,1083 14.786,1084 7.963,1085 11.636,1086 1.074,1087 14.268,1088 2.993,1089 8.658,1090 10.43,1091 0.694,1092 16.765,1093 8.605,1094 13.012,1095 1,1096 16.021,1097 2.41,1098 9.966,1099 12.117,1100 1.049,1101 19.197,1102 9.908,1103 3.134,1104 1,1105 17.793,1106 2.275,1107 10.82,1108 13.167,1109 0.692,1110 21.373,1111 10.79,1112 2.738,1113 10.564,1114 19.581,1115 2.136,1116 12.007,1117 14.718,1118 0.944,1119 23.75,1120 11.981,1121 2.615,1122 8.056,1123 21.382,1124 4.085,1125 12.986,1126 15.904,1127 0.684,1128 26.02,1129 12.99,1130 2.522,1131 7.673,1132 23.195,1133 3.708,1134 14.123,1135 17.379,1136 0.865,1137 28.38,1138 14.138,1139 2.492,1140 7.148,1141 25.019,1142 3.455,1143 15.169,1144 18.647,1145 0.674,1146 30.696,1147 15.212,1148 2.275,1149 6.965,1150 26.852,1151 3.319,1152 16.29,1153 20.082,1154 0.806,1155 33.052,1156 16.348,1157 2.048,1158 6.699,1159 28.693,1160 2.889,1161 17.373,1162 21.399,1163 0.666,1164 35.389,1165 17.456,1166 32587,1167 44524,1168 30.394,1169 54.91,1170 64.471,1171 65.311,1172 64.553,1173 63.871,1174 63.803,1175 79.093,1176 6.027,1177 171.679,1178 62.546,1179 5.478,1180 5.66,1181 6.464,1182 5.197,1183 5.134,1184 7.085,1185 1.855,1186 17.807,1187 5.17,1188 12.491,1189 1.465,1190 1.484,1191 1.467,1192 1.452,1193 1.45,1194 1.798,1195 0.137,1196 3.902,1197 1.422,1198 4.059,1199 4.083,1200 4.005,1201 3.995,1202 7.427,1203 3.994,1204 3.938,1205 3.971,1206 3.871,1207 3.869,1208 4.838,1209 3.865,1210 3.885,1211 3.938,1212 3.814,1213 3.831,1214 4.767,1215 3.823,1216 3.863,1217 3.906,1218 3.731,1219 3.713,1220 4.727,1221 3.707,1222 3.679,1223 3.737,1224 3.547,1225 3.541,1226 4.363,1227 3.53,1228 3.575,1229 3.629,1230 3.453,1231 3.467,1232 4.326,1233 3.459,1234 3.468,1235 3.532,1236 3.339,1237 3.283,1238 4.213,1239 3.286,1240 3.315,1241 3.391,1242 3.137,1243 3.13,1244 4.078,1245 3.121,1246 0.102,1247 0.083,1248 0.151,1249 0.094,1250 0.071,1251 4.478,1252 0.093,1253 3.66,1254 0.023,1255 6.639,1256 0.24,1257 4.145,1258 0.072,1259 3.134,1260 4.085,1261 0.995,1262 10.564,1263 3.17,1264 2.012,1265 1.994,1266 2.111,1267 2.092,1268 1.427,1269 2.099,1270 1.931,1271 1.902,1272 2.072,1273 2.035,1274 1.339,1275 2.051,1276 1.89,1277 1.864,1278 2.055,1279 2.027,1280 1.299,1281 2.039,1282 1.844,1283 1.778,1284 2.007,1285 1.964,1286 1.227,1287 1.98,1288 1.688,1289 1.629,1290 1.947,1291 1.861,1292 1.124,1293 1.893,1294 1.567,1295 1.526,1296 1.757,1297 1.731,1298 0.951,1299 1.744,1300 1.445,1301 1.373,1302 1.694,1303 1.648,1304 0.9,1305 1.666,1306 1.316,1307 1.242,1308 1.618,1309 1.533,1310 0.835,1311 1.566,1312 4.489,1314 5.771,1316 7.246,1318 8.811,1320 10.423,1322 2.148,1328 15.665,1330 6.051,1333 4.925,1340 50.535,1341 106.622,1342 259.23,1343 379.631,1344 438.161,1345 456.425,1346 466.69,1347 70.846,1348 8.629,1349 32.78,1350 32.78,1351 30,1352 12.652,1353 4.392,1354 3.585,1355 64.571,1356 273,1357 284,1358 0.11,1359 308.507,1360 547.4,1361 744.518,1362 93980,1364 27.572,1365 0.689,1366 0.603,1367 27.572,1368 24.116,1369 19.636,1370 0.446,1371 0.345,1372 15.072,1373 19.222,1374 14.674,1375 12.202,1376 19.636,1377 15.187,1378 16.998,1379 0.293,1380 0.199,1381 16.998,1382 11.529,1383 13.975,1384 0.191,1385 0.112,1386 13.975,1387 8.181,1388 11.528,1389 0.125,1390 0.065,1391 11.528,1392 5.952,1393 9.377,1394 0.082,1395 0.037,1396 9.377,1397 4.248,1398 0.185,1399 120.612,1400 0.181,1401 37.713,1402 0.273,1403 204,1404 454.761,1405 213.477,1406 448.303,1407 620.59,1408 424,1409 233,1410 450.964,1411 243.644,1412 465.847,1413 675.8,1414 438,1415 7.249}
{0 CHEMBL59977,1 1.633,2 6.889,3 2.684,4 7.206,5 69.063,6 7.848,7 0.55,8 3.563,9 3.681,10 3.174,11 3.124,12 4.747,13 3.11,14 4.09,15 4.241,16 3.55,17 3.555,18 5.349,19 3.517,20 4.374,21 4.583,22 3.642,23 3.684,24 5.468,25 3.631,26 4.396,27 4.611,28 3.498,29 3.584,30 5.565,31 3.52,32 4.262,33 4.498,34 3.262,35 3.408,36 5.358,37 3.318,38 4.103,39 4.355,40 3.044,41 3.153,42 5.402,43 3.041,44 3.852,45 4.128,46 2.547,47 2.75,48 4.894,49 2.628,50 3.355,51 3.608,52 2.176,53 2.098,54 4.593,55 2.085,56 0.133,57 0.479,58 5.843,59 2.687,60 9.73,61 3.461,62 0.169,63 0.767,64 10.871,65 4.983,66 41.017,67 6.562,68 0.179,69 0.975,70 16.215,71 6.108,72 26.092,73 8.55,74 0.317,75 0.947,76 17.371,77 5.701,78 51.654,79 7.806,80 0.283,81 0.803,82 15.694,83 5.25,84 42.181,85 7.315,86 0.342,87 0.629,88 14.068,89 4.573,90 57.198,91 6.702,92 0.222,93 0.429,94 12.01,95 3.659,96 39.255,97 5.147,98 0.191,99 0.24,100 7.413,101 1.737,102 32.95,103 2.267,104 11,105 29,106 0.306,107 0.665,108 0.766,109 0.831,110 0.855,111 0.855,112 2.963,113 0.903,114 -3.37,115 -3.36,116 -3.21,121 41.9,123 4,144 3,145 2,146 2,148 2,165 1,166 1,167 1,168 2,176 6,179 1,180 6,185 2,187 7,189 2,192 10,197 2,200 6,203 2,206 5,208 1,209 1,211 3,214 5,216 3,218 1,219 1,221 1,222 1,224 2,227 7,229 2,231 2,232 3,234 2,235 2,239 4,244 4,251 1,256 5,269 2,281 300,282 12.069,283 12.069,284 12.069,285 12.069,286 12.069,287 10.452,288 11.992,289 6.965,290 12.19,291 9.851,292 9.851,293 9.851,294 9.851,295 9.851,296 7.351,297 8.53,298 3.282,299 10.055,300 3.321,301 1.404,302 0.863,303 0.516,304 0.387,305 0.387,306 3.639,311 1,312 1,313 267,314 2.449,318 95.959,322 105.983,325 1.123,326 22.597,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 39.5,338 124,339 4.651,340 3.782,341 6.78,342 4.204,343 3.223,344 4.591,345 2.612,346 11.088,347 3.162,348 4.194,349 3.329,350 6.076,351 3.723,352 2.747,353 3.831,355 8.731,356 2.682,357 3.825,358 2.674,359 5.788,360 3.364,361 2.384,362 3.325,364 7.665,365 2.333,366 3.472,367 2.249,368 5.281,369 3.046,370 2.086,371 2.85,373 6.335,374 2,375 2.96,376 1.887,377 4.141,378 2.439,379 1.448,380 2.093,382 3.385,383 1.435,384 2.588,385 1.51,386 3.839,387 2.268,388 1.269,389 1.616,391 3.137,392 1.267,393 2.493,394 1.395,395 3.668,396 2.201,397 1.208,398 1.491,400 2.877,401 1.199,402 1.956,403 1,404 3.453,405 1.747,406 0.767,407 0.888,409 1.865,410 0.75,411 1.418,412 0.921,413 2.909,414 1.009,415 0.059,416 0.076,418 0.151,419 0.056,420 1,421 0.248,422 2.525,423 0.6,424 -0.38,425 -0.482,427 -0.958,428 -0.371,429 0.969,430 -0.28,431 2.302,432 0.164,433 -0.828,434 -0.918,436 -2,437 -0.816,438 0.612,439 -0.6,440 2,441 0.139,442 -0.842,443 -1.17,445 -2.023,446 -0.83,447 0.295,448 -0.733,449 1.873,451 -1,452 -1.385,454 -2.48,455 -1,456 0.161,457 -0.919,458 1.516,459 -0.133,460 -1.111,461 -1.902,463 -3.069,464 -1.085,465 -0.172,466 -1.327,467 1.463,468 -0.526,469 -1.491,470 -2,472 -4.459,473 -1.439,474 8.367,475 0.465,476 0.507,477 0.028,478 25,479 1.389,480 13.5,481 0.75,482 11.5,483 0.639,484 12.057,485 0.67,486 19.233,487 0.62,488 15.762,489 0.876,490 4.552,491 0.253,492 4.112,493 0.228,494 0.127,496 0.406,501 0.4,502 0.983,503 0.713,504 0.866,505 0.543,506 0.85,507 0.392,508 1.198,509 0.711,510 1.086,511 0.317,512 0.987,513 0.609,514 1.184,515 0.795,516 1.046,517 0.435,518 0.963,519 1.051,520 1.097,521 1.125,522 1.067,523 0.961,524 1.093,525 0.872,526 0.951,527 1.094,528 1.077,529 0.875,530 1.112,531 0.541,532 0.942,533 0.953,534 1.1,535 0.567,536 1.109,537 1.207,538 0.881,539 0.98,540 0.971,541 1.297,542 0.95,543 2.193,544 0.748,545 1.201,546 0.778,547 2.273,548 0.788,549 3.5,551 2.444,552 1.375,553 1.431,554 0.611,555 0.282,556 0.165,557 0.054,558 0.031,559 2536,560 7491,561 2.086,562 41.9,563 6,564 3,567 2,568 2,572 1.591,573 1.929,574 2.816,575 0.429,577 1,578 1,579 1,582 50.614,583 1.633,584 3.551,585 4.091,586 4.438,587 4.567,588 4.567,589 2.288,590 3.725,591 4.143,592 2.887,593 441.761,594 7.052,595 3977.31,596 1,597 1,599 1,600 153.58,601 1.481,602 4.09,603 0.175,605 0.084,606 0.044,607 0.057,608 0.032,609 0.02,610 0.021,611 0.011,612 0.016,613 0.46,614 0.67,615 1,616 0.894,617 74.149,618 0.218,619 0.214,620 0.042,621 0.17,622 -0.006,623 0.083,624 0.203,625 -0.132,626 0.1,627 -0.023,628 0.252,629 0.01,630 0.005,631 -0.159,632 0.098,633 -0.048,634 0.078,635 0.031,636 -0.155,637 -0.081,638 -0.181,639 -0.126,640 -0.104,641 -0.151,642 -0.048,643 0.03,644 -0.13,645 -0.129,646 -0.091,647 -0.141,648 0.343,649 -0.032,650 0.062,651 -0.148,652 0.29,653 -0.111,654 -0.072,655 -0.108,656 0.129,657 -0.005,658 -0.105,659 0.084,660 -0.374,661 0.041,662 0.002,663 0.085,664 -0.335,665 0.125,666 2.404,667 3.789,668 0.778,669 10.296,670 1.012,671 1.129,672 2.143,673 4.594,674 0.669,675 3.045,676 3.401,677 3.714,678 3.989,679 4.29,680 4.382,681 4.477,682 4.564,683 4.625,684 4.394,685 4.176,686 0.649,687 243.29,688 3.045,689 4.595,690 5.468,691 6.365,692 7.259,693 8.162,694 9.063,695 9.969,696 10.872,697 11.78,698 9.7,702 1,708 1,709 1,714 2,715 3,716 1,720 4,722 11,733 1,735 1,741 31,743 13,744 1,745 20,747 33,748 13,749 9,750 3,751 3,756 3,757 6,767 4,770 4,772 9,773 4,777 2,779 1,782 2,790 1,793 13,794 4,795 2,796 5,802 3,808 0.333,809 2,822 1,829 3,833 2,859 1,868 18,869 1,876 4,893 6.5,899 2,901 9.333,902 5.567,903 3.889,904 1.994,907 2.583,908 1.384,909 1.015,910 2.583,911 9.316,912 3.35,913 4.034,914 4.663,915 5.288,916 5.948,917 6.384,918 6.788,919 7.159,920 7.506,921 7.434,922 0.8,923 31,924 6.65,926 2.934,927 0.026,929 8,931 12.575,933 10.72,936 2.5,937 45,938 0.001,941 129.482,942 54.74,943 55.353,945 50.747,948 54.74,949 180.229,950 55.353,951 5.67,952 10.138,953 61.326,954 16.786,955 16.173,957 129.482,958 50.747,959 129.482,960 110.093,961 50.747,964 129.482,966 50.747,968 15.039,969 72.598,970 22.456,972 129.482,973 106.1,974 54.74,977 129.482,978 26.311,979 34.099,981 100.43,982 129.482,983 106.1,984 54.74,986 0.593,987 0.355,988 0.19,989 0.11,990 16,991 7,992 0.03,993 1,994 2,995 1.286,996 2.962,997 136.814,998 0.286,999 14,1000 73.059,1005 11.27,1006 4.126,1007 1.815,1008 1.448,1009 100.43,1010 4.676,1011 4.574,1015 2.861,1017 32.897,1018 290.322,1019 27.5,1021 -0.404,1024 21.578,1031 31.378,1032 34.99,1034 0.33,1035 0.717,1036 0.826,1037 0.896,1038 0.922,1039 0.922,1040 4.593,1041 0.767,1042 5.476,1043 2.877,1044 4.078,1045 4.718,1046 2.501,1047 6.333,1048 4.036,1049 5.838,1050 0.059,1051 7.069,1052 1.865,1053 3.761,1054 4.783,1055 2.361,1056 7.322,1057 3.689,1058 7.185,1059 -0.38,1060 8.763,1061 0.151,1062 5.714,1063 7.063,1064 4.154,1065 10.445,1066 5.63,1067 8.57,1068 -0.828,1069 10.515,1070 -0.958,1071 6.196,1072 7.92,1073 4.506,1074 12.229,1075 6.082,1076 9.986,1077 -0.842,1078 12.303,1079 -2,1080 7.652,1081 9.72,1082 5.948,1083 14.883,1084 7.528,1085 11.423,1086 -1,1087 14.114,1088 -2.023,1089 8.497,1090 10.924,1091 6.556,1092 17.001,1093 8.347,1094 12.877,1095 -1.111,1096 15.942,1097 -2.48,1098 9.76,1099 12.544,1100 7.794,1101 19.493,1102 9.597,1103 3.223,1104 -1.491,1105 17.782,1106 -3.069,1107 10.773,1108 13.91,1109 8.548,1110 21.763,1111 10.588,1112 2.747,1113 11.088,1114 19.632,1115 -4.459,1116 11.962,1117 15.462,1118 9.67,1119 24.197,1120 11.763,1121 2.384,1122 8.731,1123 21.49,1124 4.591,1125 13.053,1126 16.905,1127 10.509,1128 26.536,1129 12.833,1130 2.086,1131 7.665,1132 23.355,1133 3.831,1134 14.218,1135 18.432,1136 11.563,1137 28.949,1138 13.981,1139 1.448,1140 6.335,1141 25.226,1142 3.325,1143 15.345,1144 19.913,1145 12.452,1146 31.322,1147 15.089,1148 1.269,1149 3.385,1150 27.101,1151 2.85,1152 16.504,1153 21.431,1154 13.468,1155 33.728,1156 16.231,1157 1.208,1158 3.137,1159 28.981,1160 2.093,1161 17.649,1162 22.932,1163 14.386,1164 36.116,1165 17.357,1166 2518,1167 4451,1168 13.235,1169 20.733,1170 30.365,1171 31.952,1172 31.669,1173 30.365,1174 30.378,1175 41.523,1176 5.225,1177 90.47,1178 29.766,1179 5.595,1180 5.782,1181 6.462,1182 5.246,1183 5.223,1184 7.591,1185 4.612,1186 18.623,1187 5.162,1188 8.457,1189 1.518,1190 1.598,1191 1.583,1192 1.518,1193 1.519,1194 2.076,1195 0.261,1196 4.524,1197 1.488,1198 4.13,1199 4.157,1200 4.098,1201 4.043,1202 7.815,1203 4.051,1204 3.813,1205 3.852,1206 3.757,1207 3.67,1208 6.999,1209 3.669,1210 3.536,1211 3.575,1212 3.46,1213 3.233,1214 5.138,1215 3.273,1216 3.237,1217 3.309,1218 3.123,1219 3.023,1220 4.761,1221 3.048,1222 3.074,1223 3.148,1224 2.936,1225 2.847,1226 4.335,1227 2.861,1228 2.88,1229 2.971,1230 2.693,1231 2.678,1232 3.947,1233 2.685,1234 2.694,1235 2.807,1236 2.467,1237 2.357,1238 3.677,1239 2.376,1240 2.536,1241 2.605,1242 2.407,1243 2.308,1244 3.425,1245 2.345,1246 0.233,1247 0.189,1248 0.339,1249 0.21,1250 0.161,1251 4.651,1252 0.23,1253 3.782,1254 0.131,1255 6.78,1256 0.554,1257 4.204,1258 0.158,1259 3.223,1260 4.591,1261 2.612,1262 11.088,1263 3.162,1264 2.076,1265 2.052,1266 2.154,1267 2.186,1268 1.428,1269 2.172,1270 1.772,1271 1.73,1272 1.948,1273 1.96,1274 1.152,1275 1.94,1276 1.362,1277 1.317,1278 1.515,1279 1.709,1280 0.755,1281 1.637,1282 1.174,1283 1.113,1284 1.443,1285 1.44,1286 0.611,1287 1.437,1288 1.031,1289 0.966,1290 1.241,1291 1.301,1292 0.248,1293 1.324,1294 0.836,1295 0.774,1296 1.109,1297 1.128,1298 0.16,1299 1.135,1300 0.647,1301 0.511,1302 1.009,1303 0.967,1305 0.998,1306 0.485,1307 0.431,1308 0.746,1309 0.764,1311 0.789,1312 3.714,1314 5.056,1316 6.619,1318 8.283,1320 10.002,1326 6.146,1328 4.122,1340 20.128,1341 50.614,1342 110.07,1343 126.825,1344 137.58,1345 141.58,1346 141.58,1347 29.207,1348 6.733,1349 84.73,1350 84.73,1351 18,1352 12.297,1353 3.807,1354 3.087,1355 25.605,1356 46,1357 40,1358 0.297,1359 124.102,1360 209.32,1361 294.568,1362 6322,1364 12.698,1365 0.705,1366 0.547,1367 12.698,1368 9.849,1369 8.665,1370 0.433,1371 0.301,1372 5.951,1373 8.321,1374 5.855,1375 4.822,1376 8.665,1377 6.02,1378 8.044,1379 0.277,1380 0.159,1381 8.044,1382 4.616,1383 6.956,1384 0.174,1385 0.088,1386 6.956,1387 3.5,1388 5.772,1389 0.109,1390 0.048,1391 5.772,1392 2.562,1393 4.929,1394 0.068,1395 0.027,1396 4.929,1397 1.924,1398 0.439,1399 54.584,1400 0.275,1401 17.514,1402 0.899,1403 98,1404 302.074,1405 107.257,1406 293.774,1407 396.2,1408 270,1409 118,1410 300.027,1411 127.316,1412 298.704,1413 435.13,1414 281,1415 5.523}
{0 CHEMBL60074,1 1.398,2 13.133,3 3.546,4 12.571,5 116.619,6 7.009,7 0.563,8 4.132,9 4.24,10 3.647,11 3.647,12 5.226,13 3.622,14 4.663,15 4.837,16 3.963,17 4.006,18 5.671,19 3.973,20 4.869,21 5.029,22 4.072,23 4.2,24 5.952,25 4.125,26 5.053,27 5.28,28 4.008,29 4.241,30 5.989,31 4.126,32 5.082,33 5.316,34 3.971,35 4.225,36 6.046,37 4.105,38 5.014,39 5.249,40 3.852,41 4.146,42 5.996,43 4.015,44 4.878,45 5.127,46 3.743,47 4.027,48 5.826,49 3.889,50 4.777,51 5.029,52 3.667,53 3.879,54 5.741,55 3.769,56 0.013,57 0.752,58 12.617,59 5.655,60 9.567,61 7.277,62 0.276,63 1.203,64 23.719,65 8.664,66 24.896,67 11.328,68 0.388,69 1.465,70 28.571,71 11.541,72 45.822,73 15.149,74 0.315,75 1.697,76 35.809,77 13.779,78 45.668,79 18.902,80 0.475,81 1.695,82 37.664,83 14.015,84 60.374,85 19.074,86 0.606,87 1.565,88 35.52,89 13.059,90 65.003,91 17.751,92 0.404,93 1.379,94 30.678,95 11.819,96 51.544,97 16.374,98 0.297,99 1.216,100 28.167,101 10.266,102 49.105,103 14.004,104 30,105 44,106 0.228,107 0.496,108 0.68,109 0.795,110 0.823,111 0.829,112 3.44,113 0.933,114 -0.91,115 -1.02,116 -1.12,121 43.1,126 4,127 2,144 12,145 2,146 4,159 1,176 11,180 5,187 11,189 3,191 2,192 8,200 5,203 3,206 6,208 1,214 2,216 3,218 1,219 3,227 7,229 1,231 2,232 2,239 12,243 1,244 3,246 1,251 11,253 1,256 4,264 6,266 2,269 5,277 3,279 1,281 1532,282 20.126,283 20.126,284 20.126,285 20.126,286 20.126,287 17.874,288 24.246,289 11.864,290 20.683,291 15.659,292 15.659,293 15.659,294 15.659,295 15.659,296 12.166,297 32.47,298 5.452,299 16.378,300 4.46,301 2.82,302 1.69,303 0.983,304 0.811,305 0.776,306 4.119,311 1,312 1,313 827,314 4.123,318 338.478,325 1.951,326 24.278,329 1,330 1,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.88,337 64.5,338 394,339 4.515,340 3.75,341 7.311,342 4.318,343 3.396,344 3.971,345 1.571,346 12.528,347 3.134,348 4.325,349 3.634,350 6.238,351 3.938,352 2.96,353 3.896,354 1.26,355 9.347,356 2.911,357 3.927,358 3.163,359 5.89,360 3.568,361 2.605,362 3.453,363 0.86,364 8.102,365 2.495,366 3.869,367 2.831,368 5.486,369 3.483,370 2.497,371 3.234,372 0.86,373 7.313,374 2.459,375 3.724,376 2.594,377 5.289,378 3.334,379 2.368,380 3.066,381 0.699,382 6.747,383 2.267,384 3.013,385 2.197,386 4.646,387 2.622,388 1.666,389 2.18,390 0.245,391 4.631,392 1.586,393 2.919,394 1.947,395 4.403,396 2.522,397 1.61,398 2.058,400 4.192,401 1.461,402 2.873,403 1.852,404 4.15,405 2.439,406 1.443,407 1.991,409 3.667,410 1.432,411 2.806,412 1.524,413 3.616,414 2.363,415 1.365,416 1.877,418 3.028,419 1.354,420 2.569,421 1.318,422 3.494,423 2.104,424 1.112,425 1.598,427 2.549,428 1.102,429 2.5,430 1.123,431 3.247,432 2,433 1,434 1.5,436 2.136,437 1,438 1.889,439 1.05,440 3.133,441 1.585,442 0.691,443 0.804,445 1.325,446 0.611,447 1.745,448 1,449 3.058,450 1.369,451 0.446,452 0.536,454 0.916,455 0.401,456 1.451,457 0.934,458 2.943,459 1.174,460 0.309,461 0.346,463 0.423,464 0.265,465 1.108,466 0.177,467 2.604,468 0.853,469 -0.121,470 -0.141,472 -0.324,473 -0.117,474 14.233,475 0.474,476 0.748,477 0.025,478 39.75,479 1.325,480 21,481 0.7,482 18.75,483 0.625,484 23.637,485 0.788,486 32.867,487 0.567,488 32.607,489 1.087,490 8.494,491 0.283,492 5.931,493 0.198,494 0.164,495 0.028,496 0.246,501 0.82,502 1.383,503 0.833,504 1.212,505 0.665,506 1.052,507 1.378,508 0.839,509 0.933,510 0.765,511 0.812,512 0.761,513 0.932,514 1.267,515 1.1,516 1.228,517 0.967,518 1.195,519 0.849,520 1.116,521 0.985,522 1.105,523 0.911,524 1.071,525 1.011,526 1.003,527 1.015,528 1.011,529 0.899,530 1.013,531 1.025,532 0.934,533 1.068,534 0.968,535 1.076,536 1.016,537 0.696,538 0.947,539 0.892,540 0.975,541 1.179,542 0.97,543 1.089,544 0.894,545 0.867,546 0.873,547 1.375,548 0.844,549 7,550 0.211,551 3.778,552 2,553 1.924,554 1.16,555 0.429,556 0.389,557 0.283,558 0.197,559 12222,560 30262,561 2.004,562 48.3,564 28,572 1.725,573 1.865,574 3.674,575 -0.825,577 1,582 81.061,583 1.398,584 3.038,585 4.168,586 4.875,587 5.047,588 5.082,589 3.111,590 4.615,591 4.88,592 3.836,593 1668.72,594 8.495,595 24090.5,597 1,599 1,600 339.763,601 1.549,602 4.824,603 0.219,604 0.008,605 0.086,606 0.043,607 0.046,608 0.029,609 0.012,610 0.012,611 0.009,612 0.007,613 0.472,614 0.5,615 1,616 0.855,617 156.701,618 0.007,619 -0.229,620 0.067,621 -0.131,622 -0.045,623 -0.042,624 -0.176,625 0.266,626 0.058,627 0.221,628 -0.032,629 0.19,630 0.093,631 -0.202,632 -0.149,633 -0.201,634 0.055,635 -0.211,636 0.013,637 -0.115,638 -0.021,639 -0.116,640 -0.012,641 -0.081,642 -0.002,643 -0.031,644 -0.026,645 -0.034,646 0.05,647 -0.033,648 0.04,649 0.029,650 -0.072,651 0.005,652 0.02,653 -0.041,654 0.133,655 0.006,656 0.078,657 0.013,658 0.019,659 0.031,660 -0.04,661 0.044,662 0.139,663 0.094,664 -0.019,665 0.136,666 1.792,667 5.584,668 0.6,669 31.076,670 0.997,671 1.12,672 -0.315,673 0.099,674 0.657,675 3.497,676 3.807,677 4.025,678 4.205,679 4.394,680 4.344,681 4.394,682 4.344,683 4.382,684 4.454,685 7.611,686 0.621,687 406.54,688 3.497,689 5.03,690 5.861,691 6.727,692 7.575,693 8.444,694 9.298,695 10.167,696 11.024,697 11.894,698 1.7,712 1,715 12,720 6,722 18,727 1,739 3,741 58,743 19,744 3,745 32,747 60,748 25,749 18,750 6,751 12,752 1,756 3,757 3,772 19,773 6,777 1,782 1,786 1,790 1,793 28,794 4,796 5,802 1,803 1,807 1,808 1,809 4,829 3,859 3,864 4,868 30,876 2,878 3,883 1,893 6.9,896 1,898 3,901 16.083,902 11.667,903 6.764,904 3.257,907 3.051,908 1.421,909 0.931,910 7.14,911 10.306,912 3.761,913 4.324,914 4.846,915 5.328,916 5.829,917 5.844,918 6.065,919 6.096,920 6.384,921 6.719,922 0.889,923 46,924 11.073,926 4.512,927 0.026,929 7.689,931 21.167,933 16.623,936 2.189,937 65.667,939 1,940 1,941 329.591,942 188.964,945 58.145,948 188.964,949 387.735,951 38.559,952 6.698,953 113.715,954 30.278,955 57.858,957 329.591,959 329.591,960 188.964,961 58.145,964 329.591,965 58.145,968 6.698,969 182.265,972 329.591,973 58.145,974 188.964,977 329.591,978 36.69,979 152.274,981 58.145,982 329.591,983 58.145,984 188.964,986 0.576,987 0.339,988 0.174,989 0.094,990 19,991 9,992 0.15,993 9,995 1,996 4.124,997 252.031,999 18,1000 141.207,1005 21.88,1006 9.79,1007 5.632,1009 58.145,1010 23.364,1015 4.656,1018 576.699,1019 42,1024 12.584,1028 -0.126,1031 57.84,1032 64.941,1034 0.239,1035 0.519,1036 0.711,1037 0.832,1038 0.862,1039 0.867,1040 4.987,1041 1.443,1042 5.866,1043 4.192,1044 4.489,1045 5.011,1046 2.512,1047 6.688,1048 4.406,1049 6.196,1050 1.365,1051 7.444,1052 3.667,1053 4.205,1054 4.771,1055 0.931,1056 7.861,1057 4.052,1058 7.506,1059 1.112,1060 9.137,1061 3.028,1062 6.142,1063 7.155,1064 2.926,1065 10.867,1066 5.967,1067 8.853,1068 1,1069 10.903,1070 2.549,1071 6.686,1072 7.673,1073 1.381,1074 12.887,1075 6.415,1076 10.231,1077 0.691,1078 12.718,1079 2.136,1080 8.128,1081 9.56,1082 3.611,1083 15.512,1084 7.834,1085 11.63,1086 0.446,1087 14.569,1088 1.325,1089 9.034,1090 10.437,1091 1.783,1092 17.848,1093 8.637,1094 13.046,1095 0.309,1096 16.446,1097 0.916,1098 10.302,1099 12.093,1100 4.417,1101 20.384,1102 9.865,1103 3.396,1104 -0.121,1105 18.344,1106 0.423,1107 11.37,1108 13.166,1109 2.192,1110 22.837,1111 10.833,1112 2.96,1113 12.528,1114 20.258,1115 -0.324,1116 12.581,1117 14.697,1118 5.272,1119 25.357,1120 11.986,1121 2.605,1122 9.347,1123 22.185,1124 3.971,1125 13.722,1126 15.885,1127 2.615,1128 27.855,1129 13.031,1130 2.497,1131 8.102,1132 24.123,1133 3.896,1134 14.92,1135 17.346,1136 6.15,1137 30.375,1138 14.158,1139 2.368,1140 7.313,1141 26.07,1142 3.453,1143 16.096,1144 18.603,1145 3.05,1146 32.889,1147 15.242,1148 1.666,1149 6.747,1150 28.025,1151 3.234,1152 17.295,1153 20.024,1154 7.038,1155 35.412,1156 16.361,1157 1.61,1158 4.631,1159 29.985,1160 3.066,1161 18.488,1162 21.324,1163 3.495,1164 37.934,1165 17.465,1166 11961,1167 18989,1168 20.86,1169 38.103,1170 47.499,1171 48.632,1172 48.809,1173 46.865,1174 46.939,1175 61.019,1176 10.99,1177 133.809,1178 44.954,1179 5.393,1180 5.75,1181 7.113,1182 5.381,1183 5.396,1184 6.971,1185 3.141,1186 19.927,1187 5.134,1188 16.151,1189 1.484,1190 1.52,1191 1.525,1192 1.465,1193 1.467,1194 1.907,1195 0.343,1196 4.182,1197 1.405,1198 4.033,1199 4.074,1200 3.969,1201 3.927,1202 7.427,1203 3.931,1204 3.935,1205 3.949,1206 3.889,1207 3.85,1208 4.928,1209 3.855,1210 3.857,1211 3.885,1212 3.788,1213 3.794,1214 4.848,1215 3.79,1216 3.581,1217 3.642,1218 3.471,1219 3.37,1220 4.743,1221 3.382,1222 3.451,1223 3.474,1224 3.36,1225 3.242,1226 4.496,1227 3.268,1228 3.247,1229 3.314,1230 3.051,1231 2.954,1232 4.372,1233 2.962,1234 3.18,1235 3.25,1236 2.993,1237 2.916,1238 4.259,1239 2.921,1240 2.983,1241 3.063,1242 2.804,1243 2.849,1244 4.134,1245 2.828,1246 0.141,1247 0.117,1248 0.228,1249 0.135,1250 0.106,1251 4.515,1252 0.124,1253 3.75,1254 0.049,1255 7.311,1256 0.392,1257 4.318,1258 0.098,1259 3.396,1260 3.971,1261 1.571,1262 12.528,1263 3.134,1264 1.972,1265 1.937,1266 2.098,1267 2.114,1268 1.31,1269 2.111,1270 1.899,1271 1.887,1272 1.994,1273 2.009,1274 1.102,1275 2,1276 1.859,1277 1.834,1278 1.973,1279 1.946,1280 1.066,1281 1.96,1282 1.536,1283 1.465,1284 1.778,1285 1.762,1286 0.884,1287 1.768,1288 1.365,1289 1.34,1290 1.601,1291 1.616,1292 0.7,1293 1.607,1294 1.192,1295 1.116,1296 1.576,1297 1.523,1298 0.574,1299 1.539,1300 1.146,1301 1.069,1302 1.49,1303 1.428,1304 0.561,1305 1.453,1306 1.017,1307 0.943,1308 1.417,1309 1.239,1310 0.512,1311 1.308,1312 4.174,1314 5.485,1316 6.995,1318 8.588,1320 10.224,1322 7.415,1328 0.805,1330 16.297,1335 0.671,1340 35.992,1341 81.061,1342 176.214,1343 241.724,1344 282.743,1345 292.743,1346 294.743,1347 58.036,1348 7.255,1349 44.76,1350 44.76,1351 18,1352 12.44,1353 4.322,1354 3.459,1355 55.541,1356 138,1357 128,1358 0.194,1359 223.368,1360 392.36,1361 536.777,1362 14592,1364 21.562,1365 0.719,1366 0.599,1367 21.562,1368 17.975,1369 14.424,1370 0.451,1371 0.311,1372 9.768,1373 13.789,1374 9.379,1375 7.911,1376 14.424,1377 9.952,1378 12.891,1379 0.293,1380 0.179,1381 12.891,1382 7.856,1383 10.492,1384 0.191,1385 0.094,1386 10.492,1387 5.18,1388 8.217,1389 0.124,1390 0.052,1391 8.217,1392 3.457,1393 6.518,1394 0.081,1395 0.028,1396 6.518,1397 2.276,1398 0.312,1399 91.083,1400 0.219,1401 28.769,1402 0.511,1403 152,1404 441.275,1405 165.846,1406 416.896,1407 564.1,1408 392,1409 175,1410 403.435,1411 190.679,1412 413.539,1413 593.27,1414 383,1415 6.481}
{0 CHEMBL60119,1 1.272,2 6.125,3 3.276,4 10.733,5 66.779,6 6.635,7 0.611,8 3.551,9 3.686,10 3.038,11 3.165,12 4.535,13 3.107,14 4.102,15 4.291,16 3.412,17 3.589,18 4.984,19 3.503,20 4.371,21 4.594,22 3.496,23 3.721,24 5.261,25 3.613,26 4.398,27 4.653,28 3.318,29 3.619,30 5.308,31 3.482,32 4.267,33 4.544,34 2.962,35 3.435,36 5.091,37 3.265,38 4.037,39 4.323,40 2.578,41 3.203,42 4.717,43 2.98,44 3.811,45 4.119,46 2.026,47 2.87,48 4.439,49 2.597,50 3.522,51 3.898,52 1.225,53 2.362,54 3.909,55 1.993,56 0.04,57 0.46,58 7.339,59 3.065,60 6.072,61 4.364,62 0.06,63 0.762,64 13.069,65 5.532,66 7.709,67 7.92,68 0.106,69 0.978,70 17.549,71 6.751,72 14.672,73 9.916,74 0.168,75 0.988,76 18.461,77 6.489,78 23.713,79 9.727,80 0.153,81 0.838,82 16.339,83 5.534,84 20.539,85 8.381,86 0.069,87 0.62,88 12.67,89 5.287,90 11.419,91 7.659,92 0.063,93 0.477,94 10.185,95 4.105,96 10.432,97 6.005,98 0.042,99 0.318,100 7.732,101 3.179,102 6.193,103 4.673,104 5,105 26,106 0.24,107 0.615,108 0.769,109 0.832,110 0.856,111 0.856,112 2.857,113 0.989,114 -3.7,115 -3.67,116 -3.49,121 43.8,122 1,123 4,144 3,145 3,146 1,148 2,165 1,166 1,167 1,176 9,180 4,185 2,187 11,189 2,192 4,197 2,200 7,203 2,206 3,208 1,209 1,211 4,214 7,216 4,224 2,227 8,229 2,237 1,239 8,241 1,251 4,264 1,281 166,282 10.861,283 10.861,284 10.861,285 10.861,286 10.861,287 9.497,288 9.464,289 6.32,290 10.926,291 8.883,292 8.883,293 8.883,294 8.883,295 8.883,296 6.781,297 4.857,298 3.004,299 9.007,300 3.728,301 1.736,302 0.922,303 0.586,304 0.461,305 0.461,306 3.532,311 1,312 1,313 215,314 1.732,318 78.746,322 87.143,325 0.906,326 8.865,328 1,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 33,338 98,339 4.637,340 3.339,341 6.773,342 4.195,343 3.213,344 4.573,346 11.057,347 3.154,348 3.986,349 2.761,350 6.003,351 3.603,352 2.609,353 3.528,355 8.475,356 2.592,357 3.554,358 2.385,359 5.335,360 3.177,361 2.193,362 2.938,364 6.553,365 2.16,366 3.348,367 2.127,368 4.89,369 2.919,370 1.95,371 2.685,373 5.528,374 1.884,375 2.635,376 1.471,377 4.119,378 2.43,379 1.435,380 1.68,382 3.383,383 1.427,384 2.488,385 1.432,386 3.708,387 2.249,388 1.256,389 1.488,391 3.067,392 1.247,393 2.004,394 1.028,395 3.484,396 1.826,397 0.844,398 0.951,400 2.019,401 0.828,402 1.337,403 0.13,404 2.911,405 0.95,411 1.127,412 0.013,413 2.543,414 0.798,415 -0.193,416 -0.243,418 -0.462,419 -0.191,420 0.678,421 -0.485,422 2.342,423 0.348,424 -0.632,425 -0.75,427 -1.622,428 -0.618,429 0.298,430 -0.667,431 2,432 0.124,433 -0.867,434 -0.973,436 -2.12,437 -0.857,438 0.173,439 -0.998,440 1.835,441 -0.142,442 -1.134,443 -1.508,445 -3.083,446 -1.124,447 -0.023,448 -1.129,449 1.518,450 -0.298,451 -1.279,452 -1.624,454 -3.589,455 -1.253,456 -0.288,457 -1.396,458 1.333,459 -0.587,460 -1.565,461 -1.942,463 -4.413,464 -1.533,465 -0.5,466 -1.756,467 1.154,468 -0.851,469 -1.831,470 -2.199,472 -5.447,473 -1.767,474 7.8,475 0.488,476 0.418,477 0.026,478 20.25,479 1.266,480 10.5,481 0.656,482 9.75,483 0.609,484 12.107,485 0.757,486 16.8,487 0.525,488 11.024,489 0.689,490 3.566,491 0.223,492 4.188,493 0.262,494 0.115,496 0.385,501 1.067,502 1.038,503 0.914,504 0.94,505 1.191,506 0.92,507 0.664,508 1.11,509 0.82,510 0.992,511 0.544,512 0.931,513 1.031,514 1.203,515 0.954,516 1.056,517 0.902,518 1.01,519 1.389,520 1.129,521 1.108,522 1.057,523 1.303,524 1.061,525 1.882,526 0.877,527 1.268,528 0.948,529 1.831,530 1.042,531 0.643,532 1.015,533 1.086,534 1.148,535 0.806,536 1.149,537 0.812,538 0.984,539 1.182,540 1.167,541 1.08,542 1.196,543 0.233,544 0.728,545 0.767,546 0.864,547 0.281,548 0.856,549 3,551 2,552 1.375,553 1.271,554 0.375,555 0.2,556 0.047,557 0.02,559 1846,560 3431,561 2.135,562 50,563 9,564 3,567 2,568 2,572 1.557,573 2,574 2.657,575 0.329,577 1,578 1,579 1,582 40.697,583 1.272,584 3.264,585 4.078,586 4.414,587 4.539,588 4.539,589 2.149,590 2.906,591 3.977,592 2.676,593 321.104,594 6.719,595 2654.04,597 1,599 1,600 160,601 1.406,602 3.933,603 0.167,605 0.077,606 0.051,607 0.061,608 0.027,609 0.022,610 0.012,611 0.02,613 0.436,614 1,615 1,616 0.625,617 62.136,618 -0.088,619 0.108,620 0.042,621 0.102,622 -0.131,623 0.086,624 0.111,625 -0.068,626 0.13,627 0.04,628 0.152,629 0.078,630 0.037,631 -0.173,632 0.018,633 -0.077,634 0.048,635 -0.04,636 -0.003,637 -0.095,638 -0.114,639 -0.13,640 0.023,641 -0.13,642 -0.416,643 0.15,644 -0.27,645 -0.037,646 -0.401,647 -0.124,648 -0.041,649 -0.127,650 -0.145,651 -0.159,652 -0.052,653 -0.16,654 -0.128,655 -0.118,656 -0.235,657 -0.202,658 -0.208,659 -0.222,660 0.187,661 0.011,662 0.182,663 0.099,664 0.171,665 0.133,666 0.709,667 2.25,668 0.875,669 7.625,670 0.981,671 1.122,672 2.472,673 6.111,674 0.667,675 2.944,676 3.296,677 3.611,678 3.912,679 4.19,680 4.248,681 4.29,682 4.369,683 4.357,684 4.025,685 3.691,686 0.617,687 212.32,688 2.944,689 4.489,690 5.361,691 6.26,692 7.151,693 8.055,694 8.952,695 9.859,696 10.758,697 11.666,698 6.3,702 1,708 1,714 2,715 3,716 1,720 4,722 11,733 1,741 32,743 11,744 1,745 18,747 34,748 14,749 9,750 3,751 3,756 3,757 6,763 1,767 4,770 4,772 9,773 5,790 1,793 16,794 2,795 2,796 2,802 2,808 0.333,822 1,829 3,833 2,859 1,864 1,868 16,869 1,876 4,901 8,902 6.033,903 3.444,904 2.128,907 2.409,908 1.37,909 1.038,910 2.184,911 8.915,912 3.199,913 3.882,914 4.543,915 5.193,916 5.826,917 6.189,918 6.518,919 6.88,920 7.141,921 6.864,922 1,923 27,924 5.931,926 2.541,927 0.026,929 7.438,931 11.819,933 10.185,936 1.938,937 31,938 0.007,941 164.795,942 63.994,943 49.683,948 63.994,949 164.795,950 49.683,951 8.825,952 10.138,953 61.326,954 16.786,955 16.602,957 164.795,959 164.795,960 113.677,964 164.795,968 23.864,969 73.027,970 16.786,972 164.795,973 49.683,974 63.994,977 164.795,978 26.74,979 37.254,981 49.683,982 164.795,983 49.683,984 63.994,986 0.589,987 0.354,988 0.2,989 0.114,990 15,991 6,994 2,995 1.286,996 2.804,997 116.871,998 0.286,999 14,1000 62,1005 9.797,1006 3.566,1007 1.538,1008 2.171,1009 49.683,1010 6.331,1011 4.757,1015 4.722,1017 32.897,1018 278.472,1019 23.5,1031 31.389,1032 35.903,1034 0.254,1035 0.653,1036 0.816,1037 0.883,1038 0.908,1039 0.908,1040 4.44,1042 5.361,1043 2.019,1044 3.97,1045 4.564,1047 6.213,1048 3.94,1049 5.674,1050 -0.193,1051 6.944,1053 3.611,1054 4.559,1056 7.177,1057 3.561,1058 7.012,1059 -0.632,1060 8.629,1061 -0.462,1062 5.595,1063 6.9,1065 10.32,1066 5.533,1067 8.389,1068 -0.867,1069 10.374,1070 -1.622,1071 6.043,1072 7.707,1074 12.104,1075 5.959,1076 9.799,1077 -1.134,1078 12.157,1079 -2.12,1080 7.521,1081 9.554,1083 14.776,1084 7.427,1085 11.233,1086 -1.279,1087 13.967,1088 -3.083,1089 8.353,1090 10.736,1092 16.904,1093 8.235,1094 12.685,1095 -1.565,1096 15.796,1097 -3.589,1098 9.63,1099 12.387,1101 19.409,1102 9.499,1103 3.213,1104 -1.831,1105 17.64,1106 -4.413,1107 10.642,1108 13.75,1110 21.687,1111 10.489,1112 2.609,1113 11.057,1114 19.494,1115 -5.447,1116 11.841,1117 15.32,1119 24.128,1120 11.672,1121 2.193,1122 8.475,1123 21.358,1124 4.573,1125 12.936,1126 16.767,1128 26.472,1129 12.745,1130 1.95,1131 6.553,1132 23.23,1133 3.528,1134 14.108,1135 18.305,1137 28.89,1138 13.899,1139 1.435,1140 5.528,1141 25.107,1142 2.938,1143 15.24,1144 19.792,1146 31.264,1147 15.01,1148 1.256,1149 3.383,1150 26.99,1151 2.685,1152 16.403,1153 21.317,1155 33.672,1156 16.155,1157 0.844,1158 3.067,1159 28.876,1160 1.68,1161 17.552,1162 22.821,1164 36.061,1165 17.284,1166 1818,1167 2549,1168 12.137,1169 21.341,1170 27.089,1171 27.188,1172 28.226,1173 27.033,1174 27.001,1175 35.684,1177 80.164,1178 26.585,1179 5.582,1180 5.339,1181 6.454,1182 5.236,1183 5.213,1184 7.573,1186 18.595,1187 5.154,1188 6.216,1189 1.505,1190 1.51,1191 1.568,1192 1.502,1193 1.5,1194 1.982,1196 4.454,1197 1.477,1198 4.112,1199 4.142,1200 4.074,1201 4.044,1202 5.142,1203 4.048,1204 3.753,1205 3.8,1206 3.642,1207 3.672,1208 4.775,1209 3.659,1210 3.381,1211 3.451,1212 3.242,1213 3.251,1214 4.397,1215 3.241,1216 3.146,1217 3.23,1218 3.02,1219 2.971,1220 3.995,1221 2.969,1222 2.993,1223 3.083,1224 2.785,1225 2.839,1226 3.821,1227 2.816,1228 2.9,1229 3.014,1230 2.674,1231 2.697,1232 3.456,1233 2.681,1234 2.704,1235 2.801,1236 2.502,1237 2.456,1238 3.391,1239 2.453,1240 2.402,1241 2.508,1242 2.136,1243 2.158,1244 3.036,1245 2.142,1246 0.258,1247 0.186,1248 0.376,1249 0.233,1250 0.178,1251 4.637,1252 0.254,1253 3.339,1255 6.773,1256 0.614,1257 4.195,1258 0.175,1259 3.213,1260 4.573,1262 11.057,1263 3.154,1264 2.076,1265 2.051,1266 2.161,1267 2.163,1268 1.43,1269 2.164,1270 1.773,1271 1.729,1272 1.968,1273 1.89,1274 1.18,1275 1.92,1276 1.382,1277 1.322,1278 1.625,1279 1.57,1280 0.779,1281 1.593,1282 1.139,1283 1.061,1284 1.457,1285 1.367,1286 0.722,1287 1.397,1288 1.02,1289 0.942,1290 1.333,1291 1.25,1292 0.464,1293 1.288,1294 0.886,1295 0.799,1296 1.185,1297 1.178,1298 0.192,1299 1.196,1300 0.696,1301 0.586,1302 1.068,1303 0.961,1304 0.095,1305 1.004,1306 0.422,1307 0.309,1308 0.81,1309 0.69,1311 0.74,1312 3.611,1314 4.949,1316 6.512,1318 8.181,1320 9.905,1322 2.094,1326 6.25,1328 4.675,1340 19.73,1341 40.697,1342 104.436,1343 130.49,1344 141.245,1345 145.245,1346 145.245,1347 17.532,1348 6.506,1349 38.91,1350 38.91,1351 18,1352 12.184,1353 3.585,1354 2.7,1355 21.654,1356 39,1357 30,1358 0.322,1359 121.835,1360 200.68,1361 289.037,1362 4766,1364 11.121,1365 0.695,1366 0.599,1367 11.121,1368 9.585,1369 7.754,1370 0.431,1371 0.33,1372 5.906,1373 7.66,1374 5.714,1375 4.753,1376 7.754,1377 5.931,1378 7.145,1379 0.275,1380 0.18,1381 7.145,1382 4.678,1383 6.227,1384 0.173,1385 0.096,1386 6.227,1387 3.463,1388 5.413,1389 0.11,1390 0.053,1391 5.413,1392 2.573,1393 4.507,1394 0.069,1395 0.03,1396 4.507,1397 1.928,1398 0.467,1399 47.221,1400 0.287,1401 15.571,1402 1.002,1403 88,1404 178.957,1405 91.081,1406 184.483,1407 266.18,1408 174,1409 106,1410 208.662,1411 109.497,1412 216.412,1413 319.26,1414 205,1415 7}
{0 CHEMBL601282,1 1.523,2 9,3 3.854,4 14.849,5 101.529,6 7.266,7 0.462,8 3.923,9 4.052,10 3.525,11 3.507,12 4.937,13 3.439,14 4.463,15 4.659,16 3.892,17 3.894,18 5.426,19 3.789,20 4.709,21 4.939,22 4.024,23 4.053,24 5.601,25 3.93,26 4.745,27 4.954,28 3.954,29 4.062,30 5.727,31 3.934,32 4.84,33 5.094,34 3.883,35 3.994,36 5.858,37 3.873,38 4.724,39 4.984,40 3.621,41 3.873,42 5.67,43 3.731,44 4.575,45 4.823,46 3.425,47 3.736,48 5.508,49 3.571,50 4.444,51 4.702,52 3.309,53 3.612,54 5.288,55 3.452,56 0.038,57 0.695,58 10.852,59 4.536,60 6.834,61 6.048,62 0.266,63 1.143,64 20.927,65 7.575,66 20.855,67 10.181,68 0.273,69 1.407,70 29.964,71 9.947,72 22.025,73 13.062,74 0.208,75 1.412,76 30.523,77 10.814,78 27.9,79 13.814,80 0.41,81 1.45,82 33.444,83 10.718,84 50.498,85 14.558,86 0.265,87 1.267,88 27.818,89 9.615,90 40.584,91 13.194,92 0.241,93 1.095,94 24.841,95 8.626,96 39.894,97 11.469,98 0.256,99 0.976,100 22.595,101 7.276,102 32.097,103 9.916,104 19,105 35,106 0.262,107 0.534,108 0.651,109 0.753,110 0.768,111 0.768,112 3.229,113 1.064,114 -4.05,115 -4,116 -3.79,121 40.4,122 2,127 4,144 8,146 4,161 1,176 6,179 1,180 4,183 2,187 6,192 5,195 1,200 6,206 4,211 2,214 5,218 2,219 5,224 7,227 6,232 2,237 2,239 6,244 6,251 2,256 5,269 2,277 4,281 888,282 16.637,283 16.637,284 16.637,285 16.637,286 16.637,287 15.054,288 20.24,289 9.959,290 17.132,291 12.714,292 12.714,293 12.714,294 12.714,295 12.714,296 10.337,297 23.899,298 4.538,299 13.467,300 4.032,301 2.453,302 1.777,303 1.181,304 1.096,305 1.096,306 3.913,310 1,311 1,312 1,313 459,314 3.674,318 148.189,322 170.695,325 1.25,326 14.326,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 50.5,338 216,339 4.546,340 4.609,341 6.976,342 4.217,343 3.284,344 4.105,345 2.95,346 11.854,347 3.057,348 3.962,349 3.71,350 5.982,351 3.502,352 2.532,353 3.58,354 1.701,355 8.37,356 2.447,357 3.726,358 3.221,359 5.691,360 3.406,361 2.479,362 2.961,363 0.8,364 7.528,365 2.294,366 3.437,367 2.788,368 5.271,369 3.314,370 2.392,371 2.441,372 0.563,373 6.642,374 2.2,375 3.028,376 2.698,377 4.693,378 2.659,379 1.73,380 2.18,381 0.075,382 4.786,383 1.588,384 2.947,385 1.788,386 4.116,387 2.479,388 1.501,389 2.106,391 3.329,392 1.453,393 2.819,394 1.63,395 3.742,396 2.336,397 1.347,398 1.966,400 3.181,401 1.329,402 2.702,403 1.558,404 3.594,405 2.227,406 1.247,407 1.792,409 2.902,410 1.215,411 2.225,412 1.348,413 3.496,414 2.076,415 1.098,416 1.194,418 2.364,419 1.067,420 1.868,421 0.84,422 3.146,423 1.591,424 0.618,425 0.667,427 1.26,428 0.6,429 1.618,430 0.744,431 2.842,432 1.487,433 0.529,434 0.618,436 0.791,437 0.5,438 1.185,439 0.6,440 2.618,441 1.046,442 0.09,443 0.096,445 0.151,446 0.084,447 1.118,448 0.49,449 2.425,450 0.704,451 -0.222,452 -0.272,454 -0.557,455 -0.203,456 0.909,457 0.423,458 2.404,459 0.491,460 -0.445,461 -0.563,463 -1.091,464 -0.405,465 0.591,466 -0.226,467 2,468 0.396,469 -0.607,470 -0.67,472 -1.101,473 -0.601,474 11.867,475 0.494,476 0.431,477 0.018,478 29.75,479 1.24,480 14.5,481 0.604,482 15.25,483 0.635,484 20.475,485 0.853,486 25.933,487 0.552,488 20.449,489 0.852,490 5.756,491 0.24,492 5.985,493 0.249,494 0.112,496 0.278,501 0.795,502 1.354,503 0.802,504 1.01,505 0.59,506 0.992,507 0.795,508 0.994,509 0.863,510 0.845,511 0.536,512 0.891,513 1.143,514 0.885,515 0.981,516 0.856,517 0.833,518 0.79,519 1.278,520 1.188,521 1.159,522 1.156,523 1.248,524 1.052,525 1.338,526 0.922,527 0.87,528 0.893,529 1.563,530 0.869,531 1.406,532 0.922,533 0.862,534 0.846,535 1.578,536 0.928,537 1.558,538 1.061,539 1.081,540 1.023,541 1.829,542 1.086,543 1.562,544 0.92,545 1.08,546 0.911,547 1.675,548 0.964,549 3.5,550 0.107,551 2.444,552 1.813,553 1.56,554 0.611,555 0.421,556 0.193,557 0.218,558 0.14,559 5806,560 13075,561 2.064,562 48.9,564 16,567 1,569 6,572 1.673,573 1.946,574 3.128,575 -0.342,577 1,582 71.558,583 1.523,584 3.101,585 3.778,586 4.374,587 4.459,588 4.459,589 2.47,590 3.918,591 4.552,592 3.316,593 915.289,594 7.882,595 10687.9,597 1,599 1,600 261.066,601 1.347,602 4.522,603 0.135,604 0.008,605 0.07,606 0.046,607 0.042,608 0.018,609 0.016,610 0.009,611 0.011,612 0.007,613 0.362,614 0.33,615 1,616 1.82,617 112.92,618 0.003,619 -0.187,620 0.078,621 -0.015,622 -0.035,623 -0.002,624 0.219,625 0.138,626 0.114,627 0.132,628 0.097,629 0.066,630 -0.032,631 0.199,632 0.13,633 0.181,634 0.02,635 0.177,636 -0.077,637 -0.142,638 -0.072,639 -0.109,640 0.027,641 -0.074,642 0.083,643 0.045,644 0.074,645 0.018,646 0.068,647 0.069,648 -0.123,649 0.018,650 -0.014,651 0.02,652 -0.09,653 0.011,654 -0.203,655 -0.114,656 -0.156,657 -0.1,658 -0.182,659 -0.137,660 -0.245,661 0.047,662 -0.121,663 0.018,664 -0.241,665 -0.019,666 1.734,667 5.869,668 0.583,669 19.75,670 0.99,671 1.123,672 2.821,673 7.957,674 0.675,675 3.296,676 3.584,677 3.892,678 4.174,679 4.443,680 4.511,681 4.654,682 4.745,683 4.796,684 4.635,685 5.608,686 0.622,687 341.52,688 3.296,689 4.812,690 5.666,691 6.544,692 7.425,693 8.317,694 9.21,695 10.11,696 11.011,697 11.916,698 6.4,701 1,705 2,715 8,720 4,722 12,741 47,743 13,744 2,745 26,747 49,748 19,749 12,750 4,751 8,756 3,757 6,761 1,763 2,772 13,773 6,777 1,782 1,786 1,790 1,793 23,794 4,795 1,796 5,797 1,802 3,808 0.333,809 1,829 3,833 2,855 1,859 1,860 1,862 1,864 2,868 24,876 4,877 1,879 1,881 2,893 2.1,896 1,901 12.333,902 8.9,903 5.556,904 3.137,907 2.488,908 1.348,909 0.978,910 5.692,911 9.641,912 3.526,913 4.043,914 4.58,915 5.146,916 5.711,917 5.904,918 6.322,919 6.72,920 7.002,921 7.083,922 0.833,923 39,924 8.897,926 3.668,927 0.026,929 7.569,931 17.373,933 14.031,936 2.069,937 49.667,940 1,941 258.964,942 146.994,943 24.259,945 25.145,947 32.22,948 114.774,949 284.109,950 24.259,951 17.65,952 29.558,953 75.81,954 25.145,955 11.739,956 4.276,957 291.184,959 258.964,960 139.033,961 25.145,962 32.22,964 188.338,965 95.772,968 50.333,969 88.701,971 32.22,972 258.964,973 49.404,974 146.994,977 258.964,978 53.533,979 99.709,980 18.011,981 25.145,982 258.964,983 49.404,984 146.994,986 0.562,987 0.346,988 0.193,989 0.104,990 16,991 7,992 0.102,993 5,994 2,995 1.286,996 3.549,997 194.765,998 0.286,999 14,1000 94.039,1001 1,1005 17.183,1006 7.95,1007 3.73,1009 49.404,1010 16.099,1015 4.105,1017 18.011,1018 455.362,1019 33,1024 12.869,1028 -0.067,1031 46.545,1032 52.776,1034 0.274,1035 0.558,1036 0.68,1037 0.787,1038 0.803,1039 0.803,1040 4.745,1041 1.247,1042 5.631,1043 3.181,1044 4.263,1045 4.727,1046 3.211,1047 6.457,1048 4.147,1049 5.909,1050 1.098,1051 7.194,1052 2.902,1053 3.761,1054 4.369,1055 1.404,1056 7.438,1057 3.549,1058 7.195,1059 0.618,1060 8.866,1061 2.364,1062 5.849,1063 6.813,1064 5.101,1065 10.59,1066 5.6,1067 8.519,1068 0.529,1069 10.607,1070 1.26,1071 6.236,1072 7.306,1073 2.498,1074 12.46,1075 5.88,1076 9.879,1077 0.09,1078 12.393,1079 0.791,1080 7.752,1081 9.211,1082 7.206,1083 15.146,1084 7.363,1085 11.267,1086 -0.222,1087 14.211,1088 0.151,1089 8.564,1090 10.122,1091 3.613,1092 17.376,1093 8.07,1094 12.677,1095 -0.445,1096 16.053,1097 -0.557,1098 9.856,1099 11.785,1100 9.354,1101 19.917,1102 9.32,1103 3.284,1104 -0.607,1105 17.912,1106 -1.091,1107 10.87,1108 12.916,1109 4.718,1110 22.292,1111 10.237,1112 2.532,1113 11.854,1114 19.786,1115 -1.101,1116 12.081,1117 14.456,1118 11.513,1119 24.786,1120 11.395,1121 2.479,1122 8.37,1123 21.671,1124 4.105,1125 13.188,1126 15.706,1127 5.808,1128 27.22,1129 12.414,1130 2.392,1131 7.528,1132 23.565,1133 3.58,1134 14.374,1135 17.181,1136 13.676,1137 29.698,1138 13.538,1139 1.73,1140 6.642,1141 25.467,1142 2.961,1143 15.524,1144 18.498,1145 6.887,1146 32.155,1147 14.606,1148 1.501,1149 4.786,1150 27.375,1151 2.441,1152 16.705,1153 19.94,1154 15.839,1155 34.629,1156 15.72,1157 1.347,1158 3.329,1159 29.289,1160 2.18,1161 17.875,1162 21.294,1163 7.96,1164 37.095,1165 16.812,1166 5778,1167 8860,1168 17.394,1169 31.733,1170 37.833,1171 40.548,1172 39.867,1173 37.786,1174 37.694,1175 47.41,1176 12.18,1177 106.318,1178 35.666,1179 5.492,1180 6.609,1181 6.661,1182 5.381,1183 5.284,1184 7.105,1185 5.9,1186 19.386,1187 5.057,1188 10.805,1189 1.455,1190 1.56,1191 1.533,1192 1.453,1193 1.45,1194 1.823,1195 0.468,1196 4.089,1197 1.372,1198 4.025,1199 4.049,1200 4.149,1201 3.987,1202 7.429,1203 3.962,1204 3.76,1205 3.839,1206 3.686,1207 3.707,1208 4.814,1209 3.698,1210 3.758,1211 3.788,1212 3.636,1213 3.555,1214 4.615,1215 3.559,1216 3.502,1217 3.571,1218 3.432,1219 3.257,1220 4.339,1221 3.277,1222 3.306,1223 3.407,1224 3.273,1225 3.123,1226 4.055,1227 3.089,1228 3.19,1229 3.254,1230 3.04,1231 3.03,1232 3.892,1233 3.005,1234 2.963,1235 2.988,1236 3.027,1237 2.956,1238 3.825,1239 2.89,1240 2.851,1241 2.926,1242 2.716,1243 2.674,1244 3.73,1245 2.657,1246 0.175,1247 0.177,1248 0.268,1249 0.162,1250 0.126,1251 4.546,1252 0.158,1253 4.609,1254 0.113,1255 6.976,1256 0.456,1257 4.217,1258 0.118,1259 3.284,1260 4.105,1261 2.95,1262 11.854,1263 3.057,1264 1.977,1265 1.96,1266 2.03,1267 2.057,1268 1.22,1269 2.062,1270 1.772,1271 1.744,1272 1.96,1273 1.945,1274 1.191,1275 1.956,1276 1.713,1277 1.634,1278 1.902,1279 1.849,1280 0.978,1281 1.869,1282 1.436,1283 1.361,1284 1.725,1285 1.703,1286 0.929,1287 1.706,1288 1.351,1289 1.256,1290 1.716,1291 1.584,1292 0.869,1293 1.638,1294 1.14,1295 1.086,1296 1.309,1297 1.388,1298 0.379,1299 1.377,1300 0.958,1301 0.936,1302 1.142,1303 1.074,1304 0.273,1305 1.105,1306 0.817,1307 0.754,1308 1.109,1309 1.045,1310 0.249,1311 1.098,1312 3.97,1314 5.263,1316 6.781,1318 8.411,1320 10.106,1322 4.277,1328 3.51,1329 3.069,1331 1.71,1333 4.095,1340 29.234,1341 71.558,1342 145.763,1343 177.556,1344 205.556,1345 209.556,1346 209.556,1347 35.513,1348 7.153,1349 37.27,1350 65.51,1351 18,1352 12.436,1353 3.807,1354 3,1355 39.112,1356 76,1357 90,1358 0.245,1359 185.863,1360 320.2,1361 445.266,1362 11574,1364 16.941,1365 0.706,1366 0.624,1367 17.295,1368 14.975,1369 11.741,1370 0.452,1371 0.355,1372 8.388,1373 10.943,1374 8.078,1375 6.744,1376 12.149,1377 9.221,1378 9.821,1379 0.281,1380 0.192,1381 10.463,1382 6.716,1383 8.614,1384 0.179,1385 0.112,1386 9.423,1387 5.364,1388 7.24,1389 0.113,1390 0.061,1391 8.146,1392 3.921,1393 5.944,1394 0.071,1395 0.032,1396 6.983,1397 2.729,1398 0.375,1399 76.671,1400 0.24,1401 23.159,1402 0.697,1403 122,1404 312.219,1405 156.886,1406 326.532,1407 455.72,1408 308,1409 144,1410 326.407,1411 177.455,1412 345.62,1413 512.64,1414 328,1415 4.788}
{0 CHEMBL601410,1 1.196,2 12.154,3 5.611,4 31.479,5 108.094,6 6.587,7 0.759,8 4.015,9 4.145,10 3.502,11 3.628,12 4.973,13 3.567,14 4.559,15 4.745,16 3.803,17 4.022,18 5.422,19 3.928,20 4.863,21 5.113,22 3.851,23 4.168,24 5.618,25 4.034,26 4.879,27 5.137,28 3.699,29 4.144,30 5.603,31 3.977,32 4.874,33 5.15,34 3.503,35 4.078,36 5.54,37 3.872,38 4.799,39 5.099,40 3.305,41 3.93,42 5.4,43 3.703,44 4.642,45 4.94,46 3.227,47 3.798,48 5.254,49 3.585,50 4.517,51 4.799,52 3.181,53 3.704,54 5.165,55 3.501,56 0.058,57 0.702,58 11.816,59 5.002,60 9.327,61 7.111,62 0.133,63 1.197,64 21.01,65 8.297,66 15.361,67 11.988,68 0.184,69 1.555,70 29.06,71 11.481,72 21.618,73 16.677,74 0.184,75 1.557,76 29.571,77 11.912,78 22.222,79 17.239,80 0.16,81 1.501,82 29.398,83 12.391,84 21.813,85 17.816,86 0.146,87 1.364,88 27.432,89 11.576,90 19.334,91 16.681,92 0.154,93 1.175,94 23.446,95 9.875,96 16.452,97 14.197,98 0.099,99 1.039,100 20.492,101 8.761,102 14.584,103 12.587,105 38,106 0.198,107 0.442,108 0.59,109 0.714,110 0.739,111 0.739,112 3.303,113 1.019,114 -5.75,115 -5.61,116 -5.23,121 46.2,123 4,127 2,144 12,145 2,147 2,148 2,176 15,187 14,189 8,200 11,203 8,214 12,216 4,227 14,229 2,239 14,251 14,254 1,264 8,277 2,279 6,281 944,282 18.38,283 18.38,284 18.38,285 18.38,286 18.38,287 15.807,288 9.487,289 11.381,290 18.593,291 14.38,292 14.38,293 14.38,294 14.38,295 14.38,296 10.62,297 5,298 5.406,299 14.743,300 4.505,301 3.026,302 2.135,303 1.385,304 1.231,305 1.231,306 4.013,312 1,313 704,314 3,318 275.127,322 234.403,325 1.68,326 6.252,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 53,338 316,339 4.493,340 3.069,341 6.505,342 3.994,343 3.03,344 4.43,346 10.195,347 2.925,348 4.493,349 3.068,350 6.505,351 3.993,352 3.029,353 4.43,355 10.194,356 2.924,357 3.518,358 2.236,359 5.204,360 3.12,361 2.158,362 2.909,364 6.254,365 2.072,366 3.511,367 2.211,368 5.202,369 3.083,370 2.127,371 2.907,373 6.248,374 2.026,375 3.118,376 1.71,377 4.184,378 2.699,379 1.709,380 2.427,382 3.863,383 1.689,384 3.118,385 1.618,386 4.174,387 2.614,388 1.618,389 2.427,391 3.815,392 1.612,393 2.807,394 1.618,395 3.791,396 2.614,397 1.618,398 1.912,400 3.494,401 1.612,402 2.772,403 1.31,404 3.606,405 2.288,406 1.297,407 1.905,409 2.89,410 1.284,411 2.749,412 1.274,413 3.584,414 2.262,415 1.271,416 1.79,418 2.823,419 1.258,420 2.468,421 1.209,422 3.447,423 2.188,424 1.197,425 1.459,427 2.579,428 1.186,429 2.342,430 0.988,431 3.307,432 1.928,433 0.94,434 1.282,436 2.142,437 0.927,438 2.056,439 0.772,440 3.112,441 1.747,442 0.76,443 0.968,445 1.703,446 0.749,447 1.504,448 0.337,449 2.741,450 1.289,451 0.308,452 0.356,454 0.686,455 0.301,456 1.146,457 -0.079,458 2.396,459 0.81,460 -0.168,461 -0.205,463 -0.395,464 -0.164,465 0.915,466 -0.42,467 2.313,468 0.541,469 -0.449,470 -0.583,472 -1.049,473 -0.444,474 12.8,475 0.492,476 0.342,477 0.013,478 34,479 1.308,480 18,481 0.692,482 16,483 0.615,484 20.321,485 0.782,486 26.8,487 0.515,488 21.242,489 0.817,490 6.504,491 0.25,492 6.411,493 0.247,496 0.219,501 1.001,502 1.253,503 0.905,504 1.046,505 0.832,506 0.984,507 1.534,508 1.191,509 1.081,510 1.06,511 0.946,512 1.049,513 1.329,514 1.001,515 0.963,516 0.923,517 0.814,518 0.924,519 1.344,520 1.013,521 1.119,522 1.036,523 1.047,524 1.06,525 0.966,526 1.024,527 1.115,528 1.097,529 1.138,530 1.111,531 0.804,532 0.949,533 1.004,534 1.01,535 1.014,536 1.016,537 0.752,538 0.848,539 0.969,540 0.948,541 0.974,542 0.966,543 0.645,544 1.1,545 0.992,546 1.094,547 0.993,548 1.067,549 2.5,550 0.099,551 2.444,552 1.25,553 0.871,554 0.306,555 0.201,556 0.111,557 0.082,558 0.082,559 10025,560 18775,561 2.196,562 50,563 4,564 16,566 2,569 4,572 1.681,573 2.167,574 3.523,575 -0.913,582 62.172,583 1.196,584 2.675,585 3.565,586 4.316,587 4.47,588 4.47,589 2.815,590 3.547,591 4.682,592 3.721,593 1209.4,594 8.053,595 16467.8,600 296.423,601 0.779,602 4.676,603 0.086,604 0.005,605 0.064,606 0.032,607 0.027,608 0.012,609 0.01,610 0.006,611 0.005,612 0.005,613 0.252,614 0.5,615 0.88,617 131.175,618 0.137,619 -0.148,620 0.077,621 -0.034,622 0.156,623 0.009,624 -0.092,625 -0.095,626 -0.083,627 -0.087,628 0.004,629 -0.085,630 -0.034,631 0.026,632 0.034,633 0.041,634 0.115,635 0.041,636 -0.176,637 -0.007,638 -0.131,639 -0.068,640 -0.104,641 -0.091,642 -0.116,643 -0.072,644 -0.143,645 -0.115,646 -0.205,647 -0.128,648 -0.021,649 -0.025,650 -0.031,651 -0.03,652 -0.12,653 -0.031,654 0.091,655 0.087,656 0.008,657 0.031,658 -0.081,659 0.018,660 0.09,661 -0.169,662 -0.023,663 -0.106,664 -0.088,665 -0.077,666 0.4,667 0.384,668 0.769,669 21.822,670 0.977,671 1.115,672 4.521,673 20.436,674 0.676,675 3.401,676 3.664,677 3.951,678 4.205,679 4.407,680 4.317,681 4.357,682 4.369,683 4.394,684 4.174,685 7.404,686 0.622,687 342.52,688 3.401,689 4.905,690 5.746,691 6.6,692 7.455,693 8.316,694 9.176,695 10.039,696 10.9,697 11.765,698 3.8,708 2,714 4,715 14,721 2,722 22,741 52,743 22,744 2,745 29,747 55,748 24,749 18,750 4,751 8,756 4,757 6,770 4,772 18,773 6,793 26,796 2,802 2,803 2,808 0.5,822 2,829 4,833 2,859 2,868 26,876 6,901 12,902 9.167,903 5.861,904 3.528,907 4.422,908 1.592,909 1.024,910 5.44,911 11.891,912 3.714,913 4.331,914 4.99,915 5.614,916 6.186,917 6.356,918 6.688,919 6.98,920 7.27,921 6.637,922 0.875,923 39,924 9.616,926 3.977,927 0.026,929 7.333,931 19.311,933 16.07,936 1.833,937 47.667,941 306.049,942 155.594,943 3.798,948 155.594,949 306.049,950 3.798,952 14.35,953 113.715,954 27.34,955 27.529,957 282.506,959 306.049,960 159.392,964 258.964,965 47.084,968 36.733,969 118.861,970 3.798,972 306.049,973 3.798,974 155.594,977 306.049,978 23.784,979 135.608,982 306.049,983 3.798,984 155.594,986 0.559,987 0.334,988 0.194,989 0.105,990 18,991 6,992 0.127,993 7,994 2,995 1.2,996 4.079,997 207.817,998 0.2,999 20,1000 92.211,1005 17.021,1006 8.309,1007 4.063,1008 5.312,1010 30.358,1016 4.767,1018 465.44,1019 40,1031 50.807,1032 57.979,1034 0.21,1035 0.469,1036 0.625,1037 0.757,1038 0.784,1039 0.784,1040 4.894,1041 1.297,1042 5.673,1043 3.494,1044 4.344,1045 5.017,1047 6.438,1048 4.292,1049 6.078,1050 1.271,1051 7.189,1052 2.89,1053 3.611,1054 4.691,1056 7.273,1057 3.483,1058 7.367,1059 1.197,1060 8.818,1061 2.823,1062 5.866,1063 7.302,1065 10.415,1066 5.747,1067 8.704,1068 0.94,1069 10.521,1070 2.579,1071 6.089,1072 7.942,1074 12.183,1075 5.887,1076 10.082,1077 0.76,1078 12.275,1079 2.142,1080 7.702,1081 9.926,1083 14.793,1084 7.506,1085 11.491,1086 0.308,1087 14.062,1088 1.703,1089 8.401,1090 11.026,1092 16.902,1093 8.135,1094 12.923,1095 -0.168,1096 15.873,1097 0.686,1098 9.727,1099 12.735,1101 19.334,1102 9.454,1103 3.03,1104 -0.449,1105 17.7,1106 -0.395,1107 10.653,1108 14.049,1110 21.572,1111 10.323,1112 3.029,1113 10.195,1114 19.538,1115 -1.049,1116 11.854,1117 15.636,1119 23.938,1120 11.505,1121 2.158,1122 10.194,1123 21.385,1124 4.43,1125 12.883,1126 17.046,1128 26.226,1129 12.486,1130 2.127,1131 6.254,1132 23.237,1133 4.43,1134 14.03,1135 18.58,1137 28.566,1138 13.607,1139 1.709,1140 6.248,1141 25.095,1142 2.909,1143 15.104,1144 20.033,1146 30.874,1147 14.639,1148 1.618,1149 3.863,1150 26.955,1151 2.907,1152 16.228,1153 21.541,1155 33.203,1156 15.733,1157 1.618,1158 3.815,1159 28.819,1160 2.427,1161 17.322,1162 23.014,1164 35.519,1165 16.787,1166 9214,1167 12692,1168 20.455,1169 35.148,1170 42.031,1171 42.122,1172 42.588,1173 42.176,1174 42.125,1175 58.407,1177 113.774,1178 41.129,1179 5.424,1180 5.069,1181 6.329,1182 5.032,1183 5.03,1184 7.43,1186 16.97,1187 4.925,1189 1.449,1190 1.452,1191 1.469,1192 1.454,1193 1.453,1194 2.014,1196 3.923,1197 1.418,1198 4.131,1199 4.169,1200 4.08,1201 4.042,1202 4.94,1203 4.047,1204 4.089,1205 4.125,1206 4.044,1207 4.006,1208 4.908,1209 4.01,1210 3.723,1211 3.784,1212 3.571,1213 3.607,1214 4.368,1215 3.589,1216 3.544,1217 3.604,1218 3.43,1219 3.416,1220 4.359,1221 3.412,1222 3.458,1223 3.512,1224 3.342,1225 3.355,1226 4.134,1227 3.345,1228 3.333,1229 3.396,1230 3.182,1231 3.217,1232 3.978,1233 3.2,1234 3.128,1235 3.2,1236 3,1237 2.971,1238 3.843,1239 2.97,1240 2.966,1241 3.037,1242 2.814,1243 2.828,1244 3.622,1245 2.817,1246 0.155,1247 0.106,1248 0.224,1249 0.138,1250 0.104,1251 4.493,1252 0.153,1253 3.069,1255 6.505,1256 0.352,1257 3.994,1258 0.101,1259 3.03,1260 4.43,1262 10.195,1263 2.925,1264 2.073,1265 2.042,1266 2.168,1267 2.184,1268 1.409,1269 2.182,1270 2.068,1271 2.038,1272 2.156,1273 2.175,1274 1.313,1275 2.172,1276 1.743,1277 1.683,1278 1.983,1279 1.893,1280 1.229,1281 1.927,1282 1.541,1283 1.484,1284 1.764,1285 1.706,1286 1.023,1287 1.729,1288 1.464,1289 1.416,1290 1.658,1291 1.606,1292 0.742,1293 1.627,1294 1.36,1295 1.3,1296 1.604,1297 1.51,1298 0.666,1299 1.546,1300 1.121,1301 1.052,1302 1.396,1303 1.322,1304 0.589,1305 1.351,1306 0.972,1307 0.908,1308 1.227,1309 1.161,1310 0.355,1311 1.189,1312 4.078,1314 5.352,1316 6.847,1318 8.45,1320 10.108,1328 7.229,1340 32.364,1341 62.172,1342 139.081,1343 185.403,1344 224.423,1345 232.423,1346 232.423,1347 28.657,1348 7.469,1349 7.76,1350 7.76,1351 24,1352 12.312,1353 4.524,1354 3.585,1355 38.497,1356 121,1357 80,1358 0.153,1359 198.655,1360 328.96,1361 476.478,1362 21981,1364 17.606,1365 0.677,1366 0.589,1367 17.606,1368 15.326,1369 12.916,1370 0.445,1371 0.34,1372 9.79,1373 12.716,1374 9.601,1375 8.015,1376 12.916,1377 9.85,1378 10.79,1379 0.284,1380 0.189,1381 10.79,1382 7.191,1383 9.346,1384 0.183,1385 0.106,1386 9.346,1387 5.402,1388 8.027,1389 0.122,1390 0.061,1391 8.027,1392 4.005,1393 6.626,1394 0.082,1395 0.035,1396 6.626,1397 2.86,1398 0.252,1399 78.645,1400 0.221,1401 25.877,1402 0.389,1403 134,1404 250.666,1405 138.829,1406 258.199,1407 373.88,1408 246,1409 156,1410 291.07,1411 161.995,1412 299.926,1413 436.7,1414 286,1415 4.602}
{0 CHEMBL60167,1 1.273,2 6.444,3 3.361,4 11.298,5 73.123,6 7.743,7 0.81,8 3.529,9 3.639,10 3.159,11 3.225,12 4.641,13 3.191,14 4.016,15 4.147,16 3.551,17 3.648,18 5.058,19 3.597,20 4.251,21 4.427,22 3.622,23 3.741,24 5.273,25 3.673,26 4.286,27 4.495,28 3.467,29 3.656,30 5.329,31 3.565,32 4.179,33 4.423,34 3.169,35 3.483,36 5.106,37 3.355,38 3.937,39 4.173,40 2.889,41 3.268,42 4.868,43 3.123,44 3.728,45 4.006,46 2.323,47 2.935,48 4.516,49 2.723,50 3.294,51 3.61,52 1.659,53 2.391,54 3.951,55 2.134,56 0.031,57 0.394,58 5.405,59 2.439,60 6.321,61 3.184,62 0.034,63 0.637,64 9.278,65 4.346,66 6.019,67 5.817,68 0.063,69 0.844,70 12.983,71 5.601,72 10.404,73 7.558,74 0.142,75 0.929,76 14.441,77 5.573,78 21.644,79 7.45,80 0.107,81 0.807,82 14.031,83 5.563,84 18.139,85 7.621,86 0.069,87 0.612,88 10.748,89 4.509,90 14.42,91 6.21,92 0.053,93 0.482,94 9.507,95 4.087,96 12.131,97 5.773,98 0.031,99 0.304,100 6.625,101 2.868,102 7.845,103 4.137,104 2,105 31,106 0.237,107 0.578,108 0.69,109 0.838,110 0.888,111 0.888,112 2.965,113 0.871,114 -4.63,115 -4.55,116 -4.28,121 53.3,123 1,144 8,145 4,146 1,148 2,165 1,166 1,167 1,176 12,180 4,185 2,187 15,189 2,192 5,197 2,200 11,203 2,206 3,208 1,209 1,211 4,214 9,216 4,219 1,224 3,227 10,229 3,237 2,239 11,241 2,251 7,264 3,281 260,282 12.569,283 12.569,284 12.569,285 12.569,286 12.569,287 10.54,288 8.607,289 7.321,290 12.63,291 10.388,292 10.388,293 10.388,294 10.388,295 10.388,296 7.375,297 11.208,298 3.48,299 10.508,300 3.634,301 1.8,302 1.2,303 0.4,304 0.133,305 0.133,306 3.667,310 1,311 1,312 1,313 265,314 1.871,317 18.331,318 78.115,321 72.37,322 42.831,325 0.938,326 9.139,329 1,330 0.83,331 1,332 0.6,334 1,335 1,336 0.78,337 37,338 116,339 4.711,340 3.457,341 6.949,342 4.314,343 3.328,344 4.607,345 0.68,346 11.745,347 3.28,348 4.272,349 2.915,350 6.4,351 3.843,352 2.85,353 3.968,355 9.757,356 2.828,357 3.67,358 2.345,359 5.69,360 3.229,361 2.243,362 3.163,364 7.32,365 2.211,366 3.409,367 2.083,368 5.26,369 2.963,370 1.992,371 2.79,373 6.223,374 1.931,375 2.942,376 1.715,377 4.574,378 2.538,379 1.541,380 2.147,382 4.357,383 1.536,384 2.9,385 1.436,386 3.776,387 2.424,388 1.433,389 2.057,391 3.097,392 1.419,393 2.775,394 1.345,395 3.658,396 2.309,397 1.309,398 1.898,400 2.939,401 1.308,402 2.384,403 0.952,404 3.582,405 1.898,406 0.915,407 1.331,409 2.308,410 0.898,411 1.793,412 0.782,413 3.327,414 1.535,415 0.554,416 0.662,418 1.399,419 0.542,420 1.29,421 0.013,422 2.812,423 0.858,424 -0.098,425 -0.131,427 -0.251,428 -0.094,429 0.898,430 -0.441,431 2.512,432 0.441,433 -0.544,434 -0.761,436 -1.411,437 -0.534,438 0.616,439 -0.755,440 2.189,441 0.174,442 -0.817,443 -1.103,445 -1.983,446 -0.807,447 0.583,448 -0.847,449 2,450 0.114,451 -0.878,452 -1.274,454 -2.146,455 -0.871,456 0.311,457 -1.004,458 2,459 -0.116,460 -1.108,461 -1.528,463 -3.059,464 -1.099,465 0.053,466 -1.235,467 1.631,468 -0.322,469 -1.296,470 -1.8,472 -3.786,473 -1.262,474 8.8,475 0.489,476 0.415,477 0.023,478 27.75,479 1.542,480 16.5,481 0.917,482 11.25,483 0.625,484 10.369,485 0.576,486 17,487 0.567,488 16.427,489 0.913,490 5.41,491 0.301,492 3.433,493 0.191,494 0.045,496 0.398,501 1.039,502 0.826,503 0.75,504 0.725,505 1.184,506 0.717,507 0.691,508 1.033,509 0.775,510 0.923,511 0.693,512 0.868,513 0.972,514 1.22,515 0.898,516 1.043,517 0.852,518 0.98,519 1.546,520 1.098,521 1.157,522 1.043,523 1.368,524 1.065,525 1.339,526 0.942,527 1.103,528 0.971,529 1.14,530 1.009,531 1.056,532 0.989,533 1.169,534 1.103,535 1.205,536 1.136,537 0.67,538 0.912,539 1.152,540 1.137,541 0.932,542 1.172,543 0.282,544 0.841,545 0.96,546 1.048,547 0.543,548 1.054,549 2.5,551 2.222,552 1.701,553 1.235,554 0.57,555 0.178,556 0.043,557 0.01,559 2732,560 6042,561 2.253,562 40,563 2,564 8,567 2,572 1.593,573 2.16,574 2.74,575 0.265,577 1,579 1,582 38.187,583 1.273,584 3.107,585 3.707,586 4.507,587 4.774,588 4.774,589 1.975,590 4.059,591 4.146,592 2.771,593 423.93,594 7.064,595 3779.48,596 1,597 1,599 1,600 147.207,601 1.233,602 4.124,603 0.119,605 0.072,606 0.053,607 0.047,608 0.03,609 0.013,610 0.006,611 0.003,613 0.343,614 0.83,615 1,616 0.463,617 73.239,618 -0.126,619 0.154,620 0.036,621 0.131,622 -0.226,623 0.102,624 0.054,625 -0.1,626 0.044,627 -0.03,628 -0.024,629 -0.001,630 0.059,631 -0.242,632 0.003,633 -0.132,634 0.047,635 -0.081,636 -0.1,637 -0.034,638 -0.196,639 -0.136,640 -0.056,641 -0.166,642 -0.183,643 0.061,644 -0.087,645 0.008,646 -0.049,647 -0.024,648 -0.156,649 -0.039,650 -0.177,651 -0.113,652 -0.115,653 -0.14,654 -0.04,655 -0.024,656 -0.091,657 -0.069,658 -0.092,659 -0.081,660 0.188,661 0.007,662 0.177,663 0.089,664 0.093,665 0.124,666 0.785,667 2.31,668 0.944,669 9.667,670 0.987,671 1.102,672 3.398,673 11.545,674 0.727,675 3.091,676 3.466,677 3.85,678 4.205,679 4.5,680 4.635,681 4.82,682 4.977,683 4.963,684 4.898,685 3.93,686 0.689,687 232.3,688 3.091,689 4.654,690 5.557,691 6.475,692 7.397,693 8.324,694 9.252,695 10.183,696 11.113,697 12.046,698 6.7,702 1,708 1,714 2,715 8,716 1,720 5,722 17,733 1,741 30,743 17,744 2,745 21,747 33,748 16,749 15,750 4,751 8,756 4,757 10,767 1,770 1,772 15,773 1,790 1,793 12,794 2,795 2,796 2,802 2,808 0.25,822 1,828 1,829 3,832 2,833 1,859 1,868 18,869 1,876 1,901 8.333,902 5.45,903 3.833,904 1.808,907 3.631,908 1.503,909 1.116,910 1.856,911 10.846,912 3.418,913 4.127,914 4.838,915 5.524,916 6.181,917 6.589,918 7.118,919 7.621,920 8.008,921 8.256,922 0.6,923 32,924 6.633,926 2.932,927 0.026,929 7.509,931 12.973,933 11.338,936 2.009,937 36.167,938 0.002,941 117.711,942 98.132,943 49.683,948 98.132,949 117.711,950 49.683,952 2.535,953 108.707,954 16.786,955 19.787,957 117.711,959 117.711,960 147.815,964 117.711,968 7.435,969 123.594,970 16.786,972 117.711,973 49.683,974 98.132,977 117.711,978 22.322,979 75.81,981 49.683,982 117.711,983 49.683,984 98.132,986 0.59,987 0.367,988 0.217,989 0.122,990 19,991 7,994 3,995 1.353,996 3.049,997 146.607,998 0.353,999 17,1000 75.059,1005 9.808,1006 3.407,1007 1.275,1008 2.037,1009 49.683,1010 16.482,1011 4.778,1015 5.662,1017 32.897,1018 265.526,1019 29.5,1031 29.622,1032 33.073,1034 0.259,1035 0.633,1036 0.755,1037 0.918,1038 0.973,1039 0.973,1040 4.656,1041 0.915,1042 5.557,1043 2.939,1044 4.143,1045 4.812,1046 0.655,1047 6.45,1048 4.118,1049 5.901,1050 0.554,1051 7.16,1052 2.308,1053 3.761,1054 4.691,1056 7.483,1057 3.718,1058 7.241,1059 -0.098,1060 8.869,1061 1.399,1062 5.802,1063 7.15,1064 0.356,1065 10.666,1066 5.751,1067 8.623,1068 -0.544,1069 10.64,1070 -0.251,1071 6.293,1072 7.889,1074 12.541,1075 6.225,1076 10.041,1077 -0.817,1078 12.451,1079 -1.411,1080 7.794,1081 9.796,1082 0.18,1083 15.238,1084 7.718,1085 11.485,1086 -0.878,1087 14.287,1088 -1.983,1089 8.682,1090 10.942,1092 17.447,1093 8.588,1094 12.948,1095 -1.108,1096 16.143,1097 -2.146,1098 9.977,1099 12.619,1100 0.087,1101 19.981,1102 9.873,1103 3.328,1104 -1.296,1105 18.012,1106 -3.059,1107 11.038,1108 13.96,1110 22.329,1111 10.918,1112 2.85,1113 11.745,1114 19.891,1115 -3.786,1116 12.259,1117 15.54,1118 0.041,1119 24.808,1120 12.126,1121 2.243,1122 9.757,1123 21.779,1124 4.607,1125 13.394,1126 16.973,1128 27.214,1129 13.245,1130 1.992,1131 7.32,1132 23.673,1133 3.968,1134 14.591,1135 18.513,1136 0.019,1137 29.675,1138 14.428,1139 1.541,1140 6.223,1141 25.573,1142 3.163,1143 15.758,1144 19.991,1146 32.108,1147 15.58,1148 1.433,1149 4.357,1150 27.477,1151 2.79,1152 16.949,1153 21.516,1154 0.009,1155 34.565,1156 16.756,1157 1.309,1158 3.097,1159 29.385,1160 2.147,1161 18.13,1162 23.015,1164 37.011,1165 17.922,1166 2551,1167 3867,1168 14.622,1169 21.818,1170 32.425,1171 32.554,1172 33.29,1173 32.358,1174 32.329,1175 45.244,1176 1.36,1177 98.291,1178 31.905,1179 5.466,1180 5.457,1181 6.631,1182 5.358,1183 5.328,1184 7.607,1185 1.36,1186 19.432,1187 5.28,1188 4.596,1189 1.544,1190 1.55,1191 1.585,1192 1.541,1193 1.539,1194 2.154,1195 0.065,1196 4.681,1197 1.519,1198 4.146,1199 4.17,1200 4.114,1201 4.088,1202 5.156,1203 4.091,1204 3.87,1205 3.896,1206 3.81,1207 3.823,1208 4.818,1209 3.817,1210 3.455,1211 3.502,1212 3.366,1213 3.37,1214 4.688,1215 3.364,1216 3.087,1217 3.173,1218 2.993,1219 2.923,1220 4.283,1221 2.925,1222 3.034,1223 3.101,1224 2.899,1225 2.901,1226 3.834,1227 2.897,1228 2.823,1229 2.887,1230 2.689,1231 2.719,1232 3.65,1233 2.705,1234 2.689,1235 2.794,1236 2.49,1237 2.43,1238 3.586,1239 2.433,1240 2.41,1241 2.507,1242 2.192,1243 2.183,1244 3.162,1245 2.174,1246 0.224,1247 0.165,1248 0.331,1249 0.205,1250 0.158,1251 4.711,1252 0.219,1253 3.457,1254 0.032,1255 6.949,1256 0.559,1257 4.314,1258 0.156,1259 3.328,1260 4.607,1261 0.68,1262 11.745,1263 3.28,1264 2.035,1265 2.013,1266 2.101,1267 2.116,1268 1.241,1269 2.113,1270 1.882,1271 1.857,1272 1.995,1273 1.949,1274 1.143,1275 1.967,1276 1.516,1277 1.481,1278 1.668,1279 1.633,1280 0.847,1281 1.648,1282 1.076,1283 1.021,1284 1.324,1285 1.297,1286 0.422,1287 1.307,1288 1.027,1289 0.963,1290 1.235,1291 1.243,1292 0.26,1293 1.253,1294 0.835,1295 0.78,1296 1.109,1297 1.006,1298 0.171,1299 1.045,1300 0.673,1301 0.609,1302 1.038,1303 0.966,1304 0.052,1305 1.003,1306 0.632,1307 0.509,1308 0.888,1309 0.796,1311 0.83,1312 3.761,1314 5.118,1315 2.398,1316 6.698,1317 4.844,1318 8.38,1319 7.066,1320 10.113,1326 6.31,1328 0.898,1340 20.677,1341 38.187,1342 93.207,1343 111.207,1344 135.207,1345 143.207,1346 143.207,1347 17.843,1348 7.215,1349 38.91,1350 38.91,1351 23,1352 12.546,1353 4.17,1354 3.248,1355 22.51,1356 45,1357 33,1358 0.276,1359 124.844,1360 204.1,1361 296.379,1362 11810,1364 12.113,1365 0.673,1366 0.547,1367 12.113,1368 9.85,1369 8.843,1370 0.421,1371 0.29,1372 6.073,1373 8.751,1374 5.927,1375 4.89,1376 8.843,1377 6.098,1378 8.075,1379 0.26,1380 0.152,1381 8.075,1382 4.704,1383 7.536,1384 0.164,1385 0.08,1386 7.536,1387 3.677,1388 6.777,1389 0.103,1390 0.042,1391 6.777,1392 2.775,1393 5.822,1394 0.065,1395 0.022,1396 5.822,1397 1.987,1398 0.402,1399 53.757,1400 0.262,1401 17.346,1402 0.857,1403 104,1404 226.957,1405 107.081,1406 234.72,1407 341.81,1408 222,1409 129,1410 269.662,1411 132.664,1412 279.706,1413 416.82,1414 266,1415 6.313}
{0 CHEMBL60180,1 1.444,2 11.042,3 1.962,4 3.849,5 92.006,6 6.884,7 0.48,8 3.942,9 4.054,10 3.434,11 3.395,12 5.041,13 3.38,14 4.481,15 4.671,16 3.751,17 3.744,18 5.491,19 3.728,20 4.645,21 4.793,22 3.855,23 3.949,24 5.797,25 3.885,26 4.844,27 5.08,28 3.711,29 3.965,30 5.806,31 3.844,32 4.797,33 5.049,34 3.538,35 3.835,36 5.761,37 3.69,38 4.562,39 4.817,40 3.438,41 3.574,42 5.603,43 3.464,44 4.303,45 4.494,46 3.294,47 3.397,48 5.418,49 3.346,50 4.24,51 4.444,52 3.205,53 3.439,54 5.22,55 3.33,56 0.007,57 0.629,58 10.841,59 4.558,60 7.872,61 6.001,62 0.304,63 0.962,64 20.543,65 6.709,66 23.167,67 9.087,68 0.368,69 1.149,70 23.353,71 9.117,72 41.791,73 11.999,74 0.273,75 1.286,76 29.558,77 10.806,78 43.44,79 15.037,80 0.485,81 1.16,82 28.966,83 10.082,84 54.114,85 14.131,86 0.435,87 0.9,88 23.057,89 7.71,90 48.853,91 10.889,92 0.483,93 0.7,94 18.032,95 5.458,96 45.15,97 7.117,98 0.209,99 0.722,100 15.902,101 5.954,102 26.732,103 8.113,104 46,105 35,106 0.249,107 0.513,108 0.663,109 0.727,110 0.744,111 0.751,112 3.227,113 0.94,114 0.16,116 -0.21,121 39.6,126 5,127 1,144 7,145 1,146 4,159 1,176 5,180 5,187 4,189 2,191 2,192 9,200 3,203 2,206 5,218 1,219 3,221 1,227 2,231 2,232 2,239 6,243 1,251 6,256 2,258 1,264 2,266 1,269 4,279 2,281 798,282 15.643,283 15.643,284 15.643,285 15.643,286 15.643,287 14.142,288 20.423,289 8.971,290 16.202,291 12.161,292 12.161,293 12.161,294 12.161,295 12.161,296 9.704,297 24.809,298 4.037,299 12.881,300 4.141,301 2.605,302 1.733,303 1.366,304 1.267,305 1.225,306 3.885,310 1,311 1,312 1,313 539,314 3.937,318 181.825,325 1.715,326 22.09,328 1,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 52.5,338 265,339 4.439,340 3.654,341 7.111,342 4.233,343 3.313,344 3.97,345 1.571,346 11.657,347 3.05,348 4.325,349 3.633,350 6.238,351 3.938,352 2.96,353 3.834,354 1.2,355 9.347,356 2.911,357 3.904,358 3.163,359 5.89,360 3.563,361 2.599,362 3.246,363 0.86,364 8.101,365 2.485,366 3.788,367 2.819,368 5.351,369 3.399,370 2.442,371 3.14,372 0.86,373 6.991,374 2.317,375 2.975,376 2.197,377 4.589,378 2.616,379 1.668,380 2.087,381 0.699,382 4.733,383 1.573,384 2.919,385 1.948,386 4.404,387 2.522,388 1.61,389 2.057,391 4.198,392 1.461,393 2.837,394 1.864,395 4.151,396 2.404,397 1.406,398 1.892,400 3.684,401 1.393,402 2.5,403 1.356,404 3.414,405 2,406 1,407 1.5,409 2.275,410 1,411 1.894,412 1.051,413 3.149,414 1.593,415 0.699,416 0.811,418 1.373,419 0.618,420 1.773,421 1,422 2.986,423 1.402,424 0.479,425 0.576,427 0.979,428 0.432,429 1.451,430 0.934,431 2.714,432 1.176,433 0.316,434 0.35,436 0.427,437 0.269,438 0.932,439 0.23,440 2.514,441 0.553,442 -0.397,443 -0.48,445 -0.838,446 -0.369,447 0.821,448 0.003,449 2.318,450 0.428,451 -0.528,452 -0.662,454 -1.036,455 -0.488,456 0.583,457 -0.399,458 2.091,459 0.135,460 -0.833,461 -1,463 -2.218,464 -0.798,465 0.5,466 -0.6,467 2,469 -1,470 -1,472 -2.903,473 -0.9,474 11.233,475 0.468,476 0.74,477 0.031,478 30.25,479 1.26,480 15,481 0.625,482 15.25,483 0.635,484 17.964,485 0.749,486 27.467,487 0.572,488 23.905,489 0.996,490 6.562,491 0.273,492 4.783,493 0.199,494 0.252,495 0.036,496 0.267,501 0.836,502 1.56,503 0.85,504 1.349,505 0.676,506 1.136,507 1.404,508 0.713,509 0.884,510 0.642,511 0.79,512 0.64,513 0.958,514 1.302,515 1.133,516 1.307,517 1.007,518 1.261,519 0.877,520 1.104,521 0.985,522 1.134,523 0.947,524 1.089,525 0.885,526 0.961,527 0.983,528 1.019,529 0.949,530 1.026,531 0.806,532 0.931,533 0.794,534 0.938,535 1.047,536 0.878,537 1.903,538 0.721,539 1.254,540 0.713,541 2.177,542 0.843,543 0.961,544 1.159,545 1.118,546 1.184,547 1.314,548 1.188,549 6.5,550 0.12,551 3.556,552 1.438,553 1.276,554 1.056,555 0.345,556 0.208,557 0.279,558 0.193,559 6261,560 15538,561 1.916,562 50,564 24,572 1.663,573 1.745,574 3.422,575 -0.782,576 1,577 1,582 69.328,583 1.444,584 2.98,585 3.852,586 4.219,587 4.318,588 4.36,589 2.907,590 4.137,591 4.558,592 3.618,593 998.698,594 7.833,595 12243.5,597 1,599 1,600 268.078,601 1.707,602 4.473,603 0.26,604 0.007,605 0.102,606 0.04,607 0.043,608 0.044,609 0.016,610 0.01,611 0.016,612 0.01,613 0.547,614 0.5,615 1,616 1.066,617 116.418,618 -0.004,619 -0.332,620 0.068,621 -0.202,622 -0.061,623 -0.079,624 -0.2,625 0.403,626 0.13,627 0.342,628 -0.007,629 0.315,630 0.078,631 -0.192,632 -0.178,633 -0.223,634 0.055,635 -0.243,636 -0.034,637 -0.125,638 -0.032,639 -0.13,640 -0.03,641 -0.087,642 0.066,643 -0.038,644 -0.006,645 -0.049,646 0.041,647 -0.044,648 0.219,649 -0.024,650 0.202,651 0.015,652 0.219,653 0.093,654 -0.236,655 0.25,656 -0.172,657 0.228,658 -0.279,659 0.068,660 -0.038,661 -0.134,662 -0.164,663 -0.153,664 -0.163,665 -0.183,666 1.786,667 5.288,668 0.5,669 21.958,670 1.002,671 1.127,672 -1.391,673 1.934,674 0.637,675 3.258,676 3.584,677 3.761,678 3.871,679 4.043,680 4.078,681 4.007,682 3.807,683 3.951,684 3.951,685 6.635,686 0.603,687 330.44,688 3.258,689 4.796,690 5.617,691 6.482,692 7.321,693 8.185,694 9.028,695 9.891,696 10.736,697 11.598,698 2.1,712 1,715 7,720 5,722 12,727 1,739 3,741 48,743 13,744 2,745 25,747 49,748 19,749 12,750 5,751 7,752 1,756 2,757 2,772 13,773 6,777 1,782 1,786 1,789 1,790 1,793 24,794 4,796 5,802 1,803 1,807 1,808 1,809 4,829 2,859 2,864 5,868 24,876 1,878 3,883 1,893 8.3,896 1,898 3,901 13.75,902 10.25,903 5.389,904 2.646,907 2.131,908 1.325,909 0.898,910 5.862,911 8.693,912 3.497,913 4.06,914 4.57,915 5.012,916 5.515,917 5.623,918 5.698,919 5.443,920 5.786,921 6.031,922 1,923 36,924 8.846,926 3.542,927 0.026,929 7.771,931 16.747,933 12.806,936 2.271,937 54.5,941 282.506,942 144.687,945 58.145,948 144.687,949 340.651,951 46.955,952 4.592,953 66.334,954 30.278,955 54.672,957 282.506,959 282.506,960 144.687,961 58.145,964 282.506,965 58.145,968 4.592,969 140.095,972 282.506,973 58.145,974 144.687,977 282.506,978 31.398,979 113.289,981 58.145,982 282.506,983 58.145,984 144.687,986 0.586,987 0.337,988 0.158,989 0.082,990 15,991 8,992 0.143,993 7,995 1,996 3.536,997 178.585,999 12,1000 99.284,1005 18.302,1006 7.687,1007 4.731,1009 58.145,1010 12.813,1015 3.465,1018 485.338,1019 32,1024 12.288,1028 -0.119,1031 48.072,1032 54.111,1034 0.259,1035 0.534,1036 0.69,1037 0.755,1038 0.773,1039 0.781,1040 4.736,1041 1,1042 5.652,1043 3.684,1044 4.263,1045 4.745,1046 2.467,1047 6.482,1048 4.161,1049 5.962,1050 0.699,1051 7.246,1052 2.275,1053 4.111,1054 4.649,1055 0.931,1056 7.695,1057 3.942,1058 7.287,1059 0.479,1060 8.953,1061 1.373,1062 5.948,1063 6.908,1064 2.89,1065 10.627,1066 5.745,1067 8.648,1068 0.316,1069 10.726,1070 0.979,1071 6.567,1072 7.538,1073 1.241,1074 12.608,1075 6.277,1076 10.037,1077 -0.397,1078 12.541,1079 0.427,1080 7.955,1081 9.339,1082 3.58,1083 15.166,1084 7.634,1085 11.445,1086 -0.528,1087 14.385,1088 -0.838,1089 8.887,1090 10.294,1091 1.521,1092 17.428,1093 8.475,1094 12.866,1095 -0.833,1096 16.251,1097 -1.036,1098 10.123,1099 11.894,1100 4.391,1101 19.889,1102 9.668,1103 3.313,1104 -1,1105 18.132,1106 -2.218,1107 11.189,1108 13.019,1109 1.818,1110 22.259,1111 10.644,1112 2.96,1113 11.657,1114 20.026,1115 -2.903,1116 12.375,1117 14.516,1118 5.252,1119 24.7,1120 11.774,1121 2.599,1122 9.347,1123 21.931,1124 3.97,1125 13.5,1126 15.737,1127 2.132,1128 27.115,1129 12.812,1130 2.442,1131 8.101,1132 23.844,1133 3.834,1134 14.674,1135 17.177,1136 6.135,1137 29.556,1138 13.918,1139 1.668,1140 6.991,1141 25.764,1142 3.246,1143 15.827,1144 18.456,1145 2.46,1146 31.99,1147 14.986,1148 1.61,1149 4.733,1150 27.689,1151 3.14,1152 17,1153 19.864,1154 7.027,1155 34.435,1156 16.084,1157 1.406,1158 4.198,1159 29.62,1160 2.087,1161 18.168,1162 21.177,1163 2.798,1164 36.879,1165 17.167,1166 6405,1167 10267,1168 15.603,1169 30.58,1170 37.449,1171 38.578,1172 38.565,1173 36.925,1174 36.985,1175 46.925,1176 10.38,1177 107.532,1178 35.017,1179 5.311,1180 5.654,1181 6.664,1182 5.288,1183 5.313,1184 6.97,1185 3.141,1186 18.533,1187 5.05,1188 15.547,1189 1.498,1190 1.543,1191 1.543,1192 1.477,1193 1.479,1194 1.877,1195 0.415,1196 4.301,1197 1.401,1198 3.999,1199 4.037,1200 3.941,1201 3.89,1202 7.427,1203 3.898,1204 3.926,1205 3.944,1206 3.875,1207 3.834,1208 4.926,1209 3.839,1210 3.622,1211 3.682,1212 3.506,1213 3.396,1214 4.844,1215 3.411,1216 3.446,1217 3.468,1218 3.357,1219 3.235,1220 4.496,1221 3.261,1222 3.247,1223 3.314,1224 3.051,1225 2.954,1226 4.425,1227 2.962,1228 3.175,1229 3.246,1230 2.981,1231 2.911,1232 4.266,1233 2.913,1234 2.874,1235 3.009,1236 2.694,1237 2.735,1238 4.095,1239 2.715,1240 2.874,1241 3.009,1242 2.687,1243 2.656,1244 3.674,1245 2.646,1246 0.178,1247 0.146,1248 0.284,1249 0.169,1250 0.133,1251 4.439,1252 0.159,1253 3.654,1254 0.063,1255 7.111,1256 0.466,1257 4.233,1258 0.122,1259 3.313,1260 3.97,1261 1.571,1262 11.657,1263 3.05,1264 1.935,1265 1.906,1266 2.064,1267 2.09,1268 1.23,1269 2.086,1270 1.893,1271 1.875,1272 1.982,1273 2.006,1274 1.099,1275 1.996,1276 1.571,1277 1.498,1278 1.811,1279 1.801,1280 0.907,1281 1.804,1282 1.36,1283 1.334,1284 1.6,1285 1.613,1286 0.698,1287 1.603,1288 1.192,1289 1.116,1290 1.576,1291 1.523,1292 0.574,1293 1.539,1294 1.142,1295 1.064,1296 1.486,1297 1.424,1298 0.561,1299 1.449,1300 0.934,1301 0.821,1302 1.417,1303 1.239,1304 0.469,1305 1.308,1306 0.934,1307 0.804,1308 1.417,1309 1.239,1310 0.469,1311 1.308,1312 3.932,1314 5.252,1316 6.765,1318 8.356,1320 9.985,1322 9.379,1328 -0.029,1330 15.976,1335 0.727,1340 28.939,1341 69.328,1342 143.024,1343 184.878,1344 202.529,1345 207.284,1346 209.284,1347 49.041,1348 6.562,1349 44.76,1350 44.76,1351 12,1352 12.15,1353 3.807,1354 3,1355 48.812,1356 97,1357 80,1358 0.249,1359 181.989,1360 319.74,1361 435.814,1362 5500,1364 17.742,1365 0.739,1366 0.62,1367 17.742,1368 14.882,1369 11.346,1370 0.454,1371 0.313,1372 7.645,1373 10.704,1374 7.266,1375 6.186,1376 11.346,1377 7.835,1378 10.548,1379 0.301,1380 0.187,1381 10.548,1382 6.556,1383 8.136,1384 0.194,1385 0.09,1386 8.136,1387 3.796,1388 5.969,1389 0.127,1390 0.049,1391 5.969,1392 2.293,1393 4.516,1394 0.081,1395 0.025,1396 4.516,1397 1.41,1398 0.4,1399 72.686,1400 0.253,1401 23.823,1402 0.656,1403 120,1404 377.275,1405 133.513,1406 349.865,1407 467.95,1408 328,1409 137,1410 331.154,1411 152.179,1412 338.229,1413 483.83,1414 311,1415 5}
{0 CHEMBL603256,1 1.278,2 19.513,3 7.602,4 57.79,5 163.761,6 6.454,7 0.419,8 4.448,9 4.576,10 3.903,11 4.027,12 5.385,13 3.966,14 5.034,15 5.23,16 4.214,17 4.434,18 5.89,19 4.342,20 5.315,21 5.549,22 4.24,23 4.578,24 6.131,25 4.438,26 5.401,27 5.681,28 4.123,29 4.532,30 6.157,31 4.364,32 5.274,33 5.533,34 4.112,35 4.473,36 6.106,37 4.319,38 5.275,39 5.54,40 4.043,41 4.465,42 6.07,43 4.298,44 5.19,45 5.452,46 3.991,47 4.398,48 5.977,49 4.235,50 5.103,51 5.354,52 3.939,53 4.303,54 5.911,55 4.151,56 0.08,57 1.086,58 18.932,59 8.27,60 10.548,61 11.463,62 0.257,63 1.859,64 34.907,65 13.645,66 24.254,67 19.378,68 0.313,69 2.316,70 46.282,71 18.598,72 38.895,73 26.266,74 0.405,75 2.412,76 50.884,77 19.649,78 50.912,79 28.084,80 0.416,81 2.152,82 44.599,83 17.802,84 54.185,85 25.236,86 0.379,87 2.121,88 44.566,89 18.15,90 48.938,91 25.532,92 0.272,93 1.957,94 40.716,95 16.888,96 39.776,97 23.714,98 0.271,99 1.796,100 37.563,101 15.179,102 36.921,103 21.22,104 5,105 57,106 0.194,107 0.47,108 0.677,109 0.78,110 0.816,111 0.835,112 3.692,113 1.025,114 -6.31,115 -6.14,116 -5.7,121 43.2,123 7,126 1,127 6,137 1,138 1,144 12,145 5,146 1,159 1,176 24,180 10,187 26,192 13,200 19,206 9,214 15,218 1,219 7,227 21,231 1,232 4,239 26,244 4,251 24,256 8,264 17,268 1,269 8,277 12,281 3756,282 26.93,283 26.93,284 26.93,285 26.93,286 26.93,287 24.495,288 31.543,289 16.526,290 27.257,291 21.321,292 21.321,293 21.321,294 21.321,295 21.321,296 17.6,297 40.477,298 8.014,299 21.825,300 5.062,301 3.247,302 1.879,303 1.206,304 0.969,305 0.843,306 4.402,313 1659,314 4.062,317 104.855,318 590.266,321 193.475,325 3.654,326 21.968,329 0.5,330 0.5,331 0.5,332 0.8,333 1,334 0.5,335 0.5,336 0.61,337 81,338 761,339 4.53,340 3.705,341 6.698,342 4.201,343 3.19,344 4.136,345 0.995,346 10.816,347 3.225,348 4.088,349 3.042,350 5.686,351 3.712,352 2.732,353 3.694,354 0.86,355 7.845,356 2.686,357 3.93,358 2.9,359 5.574,360 3.573,361 2.589,362 3.455,363 0.8,364 7.567,365 2.548,366 3.833,367 2.83,368 5.392,369 3.452,370 2.522,371 3.261,372 0.68,373 7.07,374 2.389,375 3.562,376 2.721,377 5.34,378 3.427,379 2.456,380 2.857,381 0.359,382 6.965,383 2.343,384 3.522,385 2.611,386 5.236,387 3.231,388 2.261,389 2.553,391 6.622,392 2.187,393 3.327,394 2.441,395 5.122,396 2.966,397 1.989,398 2.522,400 5.994,401 1.938,402 3.134,403 2.138,404 4.765,405 2.83,406 1.85,407 2.261,409 5.043,410 1.798,411 2.994,412 1.932,413 4.605,414 2.741,415 1.748,416 2.12,418 4.811,419 1.733,420 2.774,421 1.785,422 3.817,423 2.612,424 1.613,425 1.849,427 3.573,428 1.608,429 2.766,430 1.572,431 3.6,432 2.453,433 1.474,434 1.771,436 3.091,437 1.438,438 2.5,439 1.489,440 3.574,441 2.375,442 1.386,443 1.5,445 2.992,446 1.369,447 2.5,448 1.322,449 3.54,450 2.001,451 1.05,452 1.5,454 2.275,455 1,456 2.492,457 1.269,458 3.414,459 2,460 1,461 1.491,463 2.244,464 1,465 2.396,466 1.077,467 3.26,468 2,469 1,470 1.209,472 2.136,473 0.991,474 18.967,475 0.486,476 0.708,477 0.018,478 45.25,479 1.16,480 21.5,481 0.551,482 23.75,483 0.609,484 38.729,485 0.993,486 42.233,487 0.521,488 34.371,489 0.881,490 8.575,491 0.22,492 10.561,493 0.271,494 0.044,496 0.253,501 0.762,502 1.28,503 0.925,504 1.134,505 0.589,506 1.055,507 1.229,508 1.031,509 1.063,510 0.992,511 0.672,512 0.998,513 1.078,514 1.14,515 1.073,516 1.121,517 0.821,518 1.099,519 1.149,520 0.921,521 0.952,522 0.912,523 1.136,524 0.915,525 0.915,526 0.971,527 0.954,528 0.986,529 0.868,530 0.973,531 1.022,532 0.907,533 0.976,534 0.955,535 1.129,536 0.965,537 0.938,538 0.959,539 0.947,540 0.989,541 1.194,542 0.976,543 1.185,544 1.064,545 1.006,546 1.056,547 1.097,548 1.029,549 6.5,550 0.192,551 2.667,552 2.201,553 1.498,554 1.028,555 0.711,556 0.283,557 0.387,558 0.22,559 32448,560 60423,561 2.142,562 51.9,563 6,564 28,569 8,572 1.786,573 2.071,574 4.193,575 -0.891,582 103.526,583 1.278,584 3.093,585 4.461,586 5.134,587 5.37,588 5.497,589 3.711,590 4.978,591 5.247,592 4.426,593 3279.88,594 9.213,595 63293.8,600 513.528,601 1.09,602 5.245,603 0.151,604 0.005,605 0.047,606 0.04,607 0.031,608 0.021,609 0.016,610 0.007,611 0.01,612 0.006,613 0.333,614 0.33,615 0.5,616 0.355,617 227.69,618 0.047,619 -0.113,620 0.069,621 -0.03,622 0.028,623 0.012,624 -0.11,625 0.093,626 -0.047,627 0.024,628 0.02,629 0.003,630 -0.035,631 -0.115,632 -0.078,633 -0.116,634 0.047,635 -0.102,636 -0.036,637 0.048,638 0.044,639 0.052,640 0.002,641 0.055,642 0.125,643 0.013,644 0.037,645 0.003,646 0.151,647 0.014,648 0.013,649 0.055,650 0.011,651 0.039,652 0.007,653 0.026,654 -0.003,655 0.001,656 0.031,657 0.014,658 -0.028,659 0.024,660 -0.015,661 -0.095,662 -0.008,663 -0.058,664 -0.048,665 -0.038,666 1.538,667 6.17,668 0.692,669 73.235,670 0.982,671 1.12,672 5.076,673 25.765,674 0.656,675 3.784,676 4.06,677 4.29,678 4.533,679 4.736,680 4.727,681 4.883,682 5.017,683 5.069,684 5.187,685 11.099,686 0.605,687 522.79,688 3.784,689 5.303,690 6.129,691 6.98,692 7.822,693 8.681,694 9.533,695 10.398,696 11.258,697 12.129,698 2.5,701 2,715 12,720 6,722 18,727 1,739 1,741 81,743 20,744 3,745 43,747 85,748 35,749 18,750 6,751 12,752 3,756 5,757 6,767 4,770 7,772 21,773 14,777 2,782 1,784 1,786 2,793 42,794 4,796 4,802 2,808 0.8,809 2,828 1,829 4,832 1,849 1,850 1,855 2,859 4,864 1,868 39,876 13,878 1,881 2,893 2.5,896 1,898 1,901 18.833,902 14.567,903 8.667,904 5.332,907 3.855,908 1.449,909 0.987,910 9.773,911 12.442,912 4.007,913 4.516,914 5.026,915 5.539,916 6.062,917 6.203,918 6.598,919 6.988,920 7.285,921 7.671,922 1,923 55,924 14.532,926 6.073,927 0.026,929 7.432,931 29.037,933 24.266,936 1.932,937 75.333,941 494.386,942 193.941,943 6.249,945 36.145,948 193.941,949 530.531,950 6.249,951 8.396,952 32.863,953 123.191,954 30.278,955 41.605,957 494.386,959 494.386,960 200.189,961 36.145,964 400.217,965 130.314,968 39.111,969 151.602,970 9.476,972 494.386,973 42.393,974 193.941,977 494.386,978 62.353,979 137.836,981 36.145,982 494.386,983 42.393,984 193.941,986 0.567,987 0.32,988 0.174,989 0.095,990 25,991 10,992 0.141,993 12,994 1,995 1.074,996 5.329,997 353.489,998 0.074,999 27,1000 194.131,1005 27.525,1006 13.848,1007 7.987,1009 42.393,1010 25.136,1015 6.356,1018 730.72,1019 54,1024 13.17,1026 2.044,1028 0.984,1031 79.53,1032 90.719,1034 0.202,1035 0.488,1036 0.704,1037 0.81,1038 0.847,1039 0.867,1040 5.228,1041 1.85,1042 6.071,1043 5.994,1044 4.745,1045 5.204,1046 1.858,1047 6.806,1048 4.706,1049 6.38,1050 1.748,1051 7.573,1052 5.043,1053 4.111,1054 4.771,1055 0.57,1056 7.513,1057 4.056,1058 7.645,1059 1.613,1060 9.173,1061 4.811,1062 6.26,1063 7.262,1064 1.49,1065 10.621,1066 6.192,1067 8.945,1068 1.474,1069 10.835,1070 3.573,1071 6.479,1072 7.674,1073 0.674,1074 12.229,1075 6.417,1076 10.28,1077 1.386,1078 12.538,1079 3.091,1080 8.044,1081 9.619,1082 1.248,1083 14.836,1084 7.971,1085 11.64,1086 1.05,1087 14.272,1088 2.992,1089 8.698,1090 10.454,1091 0.694,1092 16.866,1093 8.649,1094 13.022,1095 1,1096 16.03,1097 2.275,1098 10.005,1099 12.142,1100 1.08,1101 19.31,1102 9.952,1103 3.19,1104 1,1105 17.808,1106 2.244,1107 10.893,1108 13.213,1109 0.692,1110 21.538,1111 10.872,1112 2.732,1113 10.816,1114 19.604,1115 2.136,1116 12.087,1117 14.767,1118 0.96,1119 23.932,1120 12.071,1121 2.589,1122 7.845,1123 21.414,1124 4.136,1125 13.099,1126 15.974,1127 0.684,1128 26.248,1129 13.113,1130 2.522,1131 7.567,1132 23.237,1133 3.694,1134 14.25,1135 17.456,1136 0.874,1137 28.629,1138 14.277,1139 2.456,1140 7.07,1141 25.072,1142 3.455,1143 15.326,1144 18.745,1145 0.674,1146 30.982,1147 15.381,1148 2.261,1149 6.965,1150 26.917,1151 3.261,1152 16.465,1153 20.189,1154 0.81,1155 33.361,1156 16.536,1157 1.989,1158 6.622,1159 28.77,1160 2.857,1161 17.576,1162 21.527,1163 0.666,1164 35.73,1165 17.67,1166 30101,1167 41341,1168 29.701,1169 53.148,1170 63.193,1171 64.182,1172 63.445,1173 62.688,1174 62.644,1175 77.964,1176 7.387,1177 169.518,1178 61.392,1179 5.53,1180 5.705,1181 6.524,1182 5.259,1183 5.19,1184 7.136,1185 1.855,1186 17.865,1187 5.225,1188 12.253,1189 1.47,1190 1.493,1191 1.475,1192 1.458,1193 1.457,1194 1.813,1195 0.172,1196 3.942,1197 1.428,1198 4.07,1199 4.09,1200 4.022,1201 4.009,1202 7.427,1203 4.009,1204 3.939,1205 3.972,1206 3.87,1207 3.869,1208 4.843,1209 3.865,1210 3.881,1211 3.938,1212 3.81,1213 3.827,1214 4.765,1215 3.819,1216 3.863,1217 3.902,1218 3.731,1219 3.713,1220 4.726,1221 3.707,1222 3.675,1223 3.735,1224 3.533,1225 3.537,1226 4.376,1227 3.523,1228 3.548,1229 3.61,1230 3.433,1231 3.422,1232 4.33,1233 3.42,1234 3.445,1235 3.494,1236 3.326,1237 3.266,1238 4.205,1239 3.271,1240 3.301,1241 3.374,1242 3.126,1243 3.124,1244 4.042,1245 3.113,1246 0.105,1247 0.086,1248 0.156,1249 0.098,1250 0.074,1251 4.53,1252 0.096,1253 3.705,1254 0.023,1255 6.698,1256 0.252,1257 4.201,1258 0.075,1259 3.19,1260 4.136,1261 0.995,1262 10.816,1263 3.225,1264 1.956,1265 1.93,1266 2.074,1267 2.047,1268 1.427,1269 2.058,1270 1.902,1271 1.874,1272 2.072,1273 2.034,1274 1.301,1275 2.051,1276 1.89,1277 1.874,1278 2.026,1279 1.979,1280 1.241,1281 1.996,1282 1.843,1283 1.778,1284 1.989,1285 1.977,1286 1.165,1287 1.979,1288 1.68,1289 1.618,1290 1.933,1291 1.844,1292 1.124,1293 1.878,1294 1.593,1295 1.562,1296 1.765,1297 1.751,1298 0.949,1299 1.759,1300 1.431,1301 1.36,1302 1.659,1303 1.625,1304 0.921,1305 1.637,1306 1.329,1307 1.259,1308 1.626,1309 1.56,1310 0.825,1311 1.585,1312 4.466,1314 5.753,1315 2.398,1316 7.223,1317 4.844,1318 8.777,1319 7.018,1320 10.376,1322 2.145,1328 14.567,1330 6.018,1333 4.914,1340 49.008,1341 103.526,1342 250.502,1343 361.35,1344 415.879,1345 434.999,1346 445.263,1347 67.552,1348 8.587,1349 32.78,1350 32.78,1351 29,1352 12.674,1353 4.392,1354 3.585,1355 62.065,1356 256,1357 268,1358 0.112,1359 298.915,1360 530.1,1361 721.113,1362 88794,1364 26.865,1365 0.689,1366 0.6,1367 26.865,1368 23.409,1369 19.136,1370 0.445,1371 0.342,1372 14.572,1373 18.722,1374 14.18,1375 11.797,1376 19.136,1377 14.687,1378 16.657,1379 0.292,1380 0.197,1381 16.657,1382 11.205,1383 13.679,1384 0.19,1385 0.11,1386 13.679,1387 7.903,1388 11.305,1389 0.123,1390 0.063,1391 11.305,1392 5.756,1393 9.188,1394 0.081,1395 0.035,1396 9.188,1397 4.005,1398 0.188,1399 117.612,1400 0.183,1401 36.875,1402 0.28,1403 200,1404 450.761,1405 209.477,1406 444.316,1407 614.91,1408 420,1409 229,1410 446.964,1411 239.644,1412 462.165,1413 671.02,1414 434,1415 6.699}
{0 CHEMBL603622,1 1.717,2 5.467,3 -0.49,4 0.24,5 51.167,6 9.006,8 3.407,9 3.467,10 3.39,11 2.872,12 4.504,13 2.867,14 4.048,15 4.147,16 3.659,17 3.24,18 5.511,19 3.216,20 4.109,21 4.211,22 3.705,23 3.448,24 5.322,25 3.373,26 4.331,27 4.447,28 3.584,29 3.327,30 5.716,31 3.287,32 4.112,33 4.271,34 3.104,35 3.015,36 5.381,37 2.923,38 3.767,39 4.037,40 2.465,41 2.491,42 5.191,43 2.349,44 3.083,45 3.42,46 1.487,47 1.901,48 3.861,49 1.681,50 2.626,51 2.918,52 0.539,53 1.067,54 3.651,55 0.935,56 0.296,57 0.338,58 7.341,59 3.294,60 20.789,61 2.693,62 1.012,63 0.507,64 13.045,65 5.036,66 68.163,67 4.604,68 0.608,69 0.626,70 16.604,71 7.212,72 47.027,73 5.62,74 1.263,75 0.604,76 21.655,77 6.707,78 103.85,79 5.194,80 0.986,81 0.473,82 18.143,83 5.061,84 98.329,85 4.546,86 0.703,87 0.309,88 13.176,89 3.177,90 77.883,91 4.607,92 0.202,93 0.165,94 6.943,95 1.783,96 16.331,97 2.759,98 0.245,99 0.067,100 4.986,101 0.769,102 26.617,103 0.992,104 18,105 24,106 0.35,107 0.628,108 0.821,109 0.852,110 0.852,111 0.852,112 2.798,113 1.105,114 -1.93,115 -1.98,116 -1.98,121 30.8,122 1,124 1,126 1,127 2,138 1,140 1,160 1,176 1,179 7,180 6,187 1,192 3,200 1,205 3,206 9,218 1,231 4,281 142,282 9.715,283 9.715,284 9.715,285 9.715,286 9.715,287 9.128,288 11.023,289 5.323,290 9.922,291 7.745,292 7.745,293 7.745,294 7.745,295 7.745,296 6.665,297 11.514,298 2.375,299 8.067,300 2.983,301 1.617,302 0.673,303 0.52,304 0.52,305 0.52,306 3.432,312 1,313 169,314 2.449,317 27.657,319 36.265,322 54.53,325 0.898,326 29.137,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 35.667,338 82,339 4.591,340 3.818,341 7.013,342 4.313,343 3.334,344 3.967,345 1.674,346 11.914,347 3.259,348 4.32,349 3.379,350 6.68,351 4.016,352 3.027,353 3.677,354 0.765,355 10.677,356 2.987,357 3.257,358 2.796,359 5.092,360 2.964,361 2.02,362 2.33,364 5.825,365 1.904,366 3.073,367 2.466,368 4.836,369 2.792,370 1.817,371 2.081,373 5.046,374 1.735,375 1.919,376 1.652,377 3.773,378 1.759,379 0.873,380 0.892,382 2.191,383 0.763,384 1.734,385 1.368,386 3.599,387 1.578,388 0.693,389 0.703,391 1.534,392 0.604,393 1.465,394 0.951,395 3.181,396 1.174,397 0.292,398 0.31,400 0.442,401 0.254,402 1.085,403 0.602,404 2.769,405 0.727,406 -0.261,407 -0.308,409 -0.721,410 -0.251,411 0.714,412 0.007,413 2.256,414 0.36,415 -0.633,416 -0.746,418 -1.522,419 -0.624,420 0.282,421 -0.437,422 2,423 -0.003,424 -1,425 -1.187,427 -2.862,428 -0.988,430 -1.086,431 1.852,432 -0.345,433 -1.302,434 -1.593,436 -3.649,437 -1.233,438 -0.323,439 -1.302,440 1.458,441 -0.562,442 -1.525,443 -1.7,445 -4.398,446 -1.438,447 -0.632,448 -1.361,449 1.206,450 -0.686,451 -1.664,452 -1.811,454 -5.274,455 -1.58,456 -0.72,457 -1.414,458 0.972,459 -0.834,460 -1.757,461 -2,463 -5.653,464 -1.7,465 -0.789,466 -1.639,467 0.688,468 -0.966,469 -1.915,470 -2,471 -0.765,472 -6.548,473 -1.838,474 7,475 0.467,476 0.531,477 0.035,478 15,479 1,480 4.5,481 0.3,482 10.5,483 0.7,484 12.08,485 0.805,486 18.2,487 0.7,488 10.623,489 0.708,490 3.045,491 0.203,492 4.011,493 0.267,494 0.238,495 0.143,496 0.286,501 0.999,502 1.74,503 0.693,504 1.891,505 0.72,506 1.162,507 0.706,508 0.649,509 0.651,510 0.577,511 0.51,512 0.649,513 0.994,514 1.495,515 1.288,516 1.628,517 0.804,518 1.164,519 1.459,520 0.968,521 1.393,522 1.069,523 1.494,524 1.064,525 1.456,526 1.046,527 1.373,528 1.101,529 1.699,530 1.307,531 0.31,532 0.614,533 0.486,534 0.381,535 0.495,536 0.82,537 0.218,538 0.883,539 0.366,540 0.52,541 0.245,542 0.874,543 1.479,545 0.905,546 0.009,547 1.817,548 0.435,549 4.5,551 2.444,552 1.847,553 1.07,554 0.438,555 0.141,556 0.028,559 1304,560 5427,561 1.94,562 42.3,564 7,569 3,570 1,572 1.539,573 1.748,574 2.489,575 -0.521,582 44.648,583 1.717,584 3.083,585 4.027,586 4.181,587 4.181,588 4.181,589 1.966,590 3.507,591 3.883,592 2.531,593 265.778,594 6.545,595 2133.6,600 122.211,601 1.806,602 3.781,603 0.281,605 0.102,606 0.071,607 0.051,608 0.044,609 0.024,610 0.014,613 0.586,614 0.67,615 1,616 1.029,617 56.34,618 -0.242,619 -0.429,620 0.329,621 -0.445,622 -0.153,623 -0.096,624 0.369,625 0.357,626 0.212,627 0.308,628 0.268,629 0.264,630 -0.126,631 -0.315,632 -0.195,633 -0.229,634 -0.052,635 -0.13,636 -0.267,637 -0.023,638 -0.381,639 -0.047,640 -0.263,641 -0.191,642 -0.392,643 -0.148,644 -0.403,645 -0.186,646 -0.391,647 -0.405,648 0.471,649 0.117,650 0.339,651 0.114,652 0.446,653 0.18,654 0.279,655 -0.142,656 0.47,657 -0.001,658 0.256,659 0.238,660 -0.381,661 0.519,662 0.067,663 0.416,664 -0.404,665 0.458,666 4.346,667 4.717,668 0.667,669 6.898,670 1.048,671 1.134,672 0.697,673 0.485,674 0.653,675 2.833,676 3.219,677 3.466,678 3.689,679 3.738,680 3.892,681 3.892,682 3.689,683 3.434,684 2.833,685 3.445,686 0.63,687 234.16,688 2.833,689 4.394,690 5.252,691 6.163,692 7.036,693 7.948,694 8.826,695 9.737,696 10.618,697 11.527,741 26,743 3,745 16,747 27,748 8,752 3,756 2,757 3,763 1,768 1,772 3,773 5,774 1,777 3,782 2,786 3,788 1,790 1,793 11,794 6,796 7,797 1,808 0.5,809 6,816 1,817 1,828 1,830 1,833 1,846 1,849 1,850 1,859 1,864 2,868 15,876 2,878 4,880 1,893 23.1,896 2,897 3,898 1,901 8.583,902 5.283,903 3.292,904 1.383,905 1,907 0.631,908 1.108,909 0.924,910 2.797,911 6.492,912 2.996,913 3.526,914 3.871,915 4.205,916 4.317,917 4.644,918 4.654,919 4.369,920 4.263,921 3.807,922 0.75,923 26,924 5.751,925 -0.001,926 2.65,927 0.026,929 8.309,931 10.245,933 8.412,936 2.809,937 42.139,938 0.002,941 146.046,942 44.513,945 77.173,947 16.563,948 44.513,949 206.655,951 19.708,952 9.185,954 95.171,955 14.185,957 129.482,959 129.482,960 44.513,961 77.173,962 16.563,964 82.398,965 103.492,966 20.765,968 18.01,969 21.26,970 21.807,972 129.482,973 77.173,974 44.513,975 16.563,976 16.563,977 129.482,978 24.805,979 19.708,981 77.173,982 129.482,983 77.173,984 61.077,986 0.602,987 0.364,988 0.182,989 0.083,990 13,991 6,992 0.037,993 1,994 1,995 1.2,996 2.539,997 101.915,998 0.2,999 10,1000 58.603,1005 10.993,1006 3.816,1007 1.917,1009 77.173,1018 267.732,1019 19,1024 23.042,1028 0.209,1030 -3.54,1031 27.24,1032 29.471,1034 0.365,1035 0.656,1036 0.857,1037 0.889,1038 0.889,1039 0.889,1040 4.304,1041 -0.261,1042 5.333,1043 0.442,1044 3.892,1045 4.205,1046 2.051,1047 6.252,1048 3.816,1049 5.549,1050 -0.633,1051 6.98,1052 -0.721,1053 3.892,1054 4.443,1056 7.667,1057 3.862,1058 6.933,1059 -1,1060 8.736,1061 -1.522,1062 5.68,1063 6.375,1064 2.857,1065 10.637,1066 5.566,1067 8.351,1068 -1.302,1069 10.553,1070 -2.862,1071 6.431,1072 7.334,1074 12.759,1075 6.346,1076 9.798,1077 -1.525,1078 12.408,1079 -3.649,1080 7.796,1081 8.873,1082 3.817,1083 15.354,1084 7.657,1085 11.261,1086 -1.664,1087 14.287,1088 -4.398,1089 8.821,1090 10.08,1092 17.697,1093 8.688,1094 12.736,1095 -1.757,1096 16.181,1097 -5.274,1098 10.058,1099 11.501,1100 4.827,1101 20.191,1102 9.889,1103 3.334,1104 -1.915,1105 18.086,1106 -5.653,1107 11.182,1108 12.798,1110 22.607,1111 11.004,1112 3.027,1113 11.914,1114 19.998,1115 -6.548,1116 12.38,1117 14.18,1118 5.851,1119 25.072,1120 12.174,1121 2.02,1122 10.677,1123 21.916,1124 3.967,1125 13.541,1126 15.512,1128 27.513,1129 13.318,1130 1.817,1131 5.825,1132 23.838,1133 3.677,1134 14.729,1135 16.88,1136 6.88,1137 29.972,1138 14.481,1139 0.873,1140 5.046,1141 25.762,1142 2.33,1143 15.905,1144 18.227,1146 32.424,1147 15.636,1148 0.693,1149 2.191,1150 27.689,1151 2.081,1152 17.09,1153 19.591,1154 7.91,1155 34.883,1156 16.798,1157 0.292,1158 1.534,1159 29.618,1160 0.892,1161 18.273,1162 20.946,1164 37.341,1165 17.959,1166 1406,1167 2957,1168 9.94,1169 16.977,1170 24.096,1171 26.002,1172 26.348,1173 23.89,1174 24.112,1175 27.918,1176 4.878,1177 75.255,1178 23.01,1179 5.568,1180 5.556,1181 6.388,1182 5.399,1183 5.334,1184 6.58,1185 3.349,1186 18.914,1187 5.111,1188 8.306,1189 1.506,1190 1.625,1191 1.647,1192 1.493,1193 1.507,1194 1.745,1195 0.305,1196 4.703,1197 1.438,1198 3.947,1199 3.948,1200 4.445,1201 3.912,1202 7.433,1203 3.813,1204 3.568,1205 3.55,1206 3.777,1207 3.605,1208 7.397,1209 3.369,1210 3.31,1211 3.376,1212 3.145,1213 3.129,1214 4.753,1215 3.12,1216 3.133,1217 3.184,1218 2.979,1219 2.832,1220 4.473,1221 2.841,1222 2.938,1223 2.98,1224 2.823,1225 2.726,1226 4.292,1227 2.683,1228 2.708,1229 2.777,1230 2.517,1231 2.456,1232 4.191,1233 2.435,1234 2.409,1235 2.444,1236 2.203,1237 2.077,1238 3.591,1239 2.11,1240 1.817,1241 1.914,1242 1.612,1243 1.408,1244 3.282,1245 1.399,1246 0.287,1247 0.239,1248 0.438,1249 0.27,1250 0.208,1251 4.591,1252 0.248,1253 3.818,1254 0.105,1255 7.013,1256 0.745,1257 4.313,1258 0.204,1259 3.334,1260 3.967,1261 1.674,1262 11.914,1263 3.259,1264 1.712,1265 1.688,1266 1.873,1267 1.841,1268 1.22,1269 1.851,1270 1.527,1271 1.529,1272 1.666,1273 1.716,1274 0.814,1275 1.76,1276 1.286,1277 1.257,1278 1.574,1279 1.561,1280 0.623,1281 1.575,1282 1.068,1283 1.021,1284 1.309,1285 1.402,1286 0.477,1287 1.384,1288 0.964,1289 0.89,1290 1.144,1291 1.198,1292 0.298,1293 1.265,1294 0.669,1295 0.594,1296 0.517,1297 0.907,1298 0.091,1299 0.98,1300 0.097,1301 0.064,1302 0.449,1303 0.448,1305 0.448,1308 0.096,1309 0.248,1311 0.263,1312 3.497,1314 4.86,1315 2.398,1316 6.402,1317 4.844,1318 8.017,1319 7.018,1320 9.672,1322 2.785,1328 0.335,1330 19.526,1332 -0.219,1340 16.373,1341 44.648,1342 80.158,1343 104.702,1344 108.702,1345 108.702,1346 108.702,1347 29.631,1348 5.861,1349 71.06,1350 80.87,1351 12,1352 12.048,1353 2,1354 2,1355 23.362,1356 34,1357 27,1358 0.408,1359 104.774,1360 189.53,1361 247.409,1362 1917,1364 11.052,1365 0.737,1366 0.619,1367 11.302,1368 9.283,1369 7.055,1370 0.441,1371 0.368,1372 4.402,1373 5.66,1374 4.152,1375 3.42,1376 7.836,1377 5.894,1378 6.776,1379 0.282,1380 0.208,1381 8.086,1382 4.982,1383 5.638,1384 0.182,1385 0.121,1386 6.846,1387 3.739,1388 4.559,1389 0.117,1390 0.067,1391 5.494,1392 2.61,1393 3.004,1394 0.073,1395 0.041,1396 3.858,1397 1.663,1398 0.582,1399 54.017,1400 0.317,1401 14.488,1402 1.3,1403 80,1404 366.026,1405 134.653,1406 331.614,1407 436.75,1408 308,1409 95,1410 275.602,1411 158.965,1412 304.425,1413 457.83,1414 282,1415 9.097}
{0 CHEMBL60379,1 1.464,2 8.211,3 2.416,4 5.837,5 74.452,6 6.676,7 0.286,8 3.756,9 3.883,10 3.24,11 3.257,12 4.729,13 3.224,14 4.358,15 4.554,16 3.622,17 3.694,18 5.333,19 3.63,20 4.628,21 4.855,22 3.663,23 3.877,24 5.461,25 3.777,26 4.661,27 4.889,28 3.516,29 3.854,30 5.527,31 3.716,32 4.643,33 4.922,34 3.332,35 3.711,36 5.441,37 3.544,38 4.422,39 4.7,40 3.038,41 3.427,42 5.228,43 3.254,44 4.111,45 4.389,46 2.868,47 3.103,48 4.968,49 2.967,50 3.89,51 4.138,52 2.664,53 2.82,54 4.946,55 2.726,56 0.023,57 0.564,58 9.223,59 3.713,60 5.537,61 5.211,62 0.333,63 0.933,64 17.864,65 6.246,66 29.077,67 9.148,68 0.211,69 1.139,70 23.462,71 8.483,72 23.847,73 12.222,74 0.217,75 1.127,76 24.278,77 9.047,78 32.188,79 12.863,80 0.205,81 1.036,82 24.139,83 8.494,84 29.456,85 12.553,86 0.263,87 0.784,88 19.667,89 6.641,90 27.112,91 9.707,92 0.138,93 0.583,94 14.342,95 4.54,96 18.063,97 6.821,98 0.286,99 0.456,100 11.969,101 3.045,102 28.173,103 4.528,104 16,105 30,106 0.267,107 0.591,108 0.821,109 0.881,110 0.881,111 0.881,112 3.012,113 1,114 -3.21,115 -3.2,116 -3.08,121 38.5,122 1,123 2,124 1,126 1,127 2,129 1,144 3,145 2,146 1,161 1,176 7,179 1,180 6,183 2,187 10,192 5,200 7,206 6,211 2,214 6,219 4,224 2,227 4,231 1,232 2,237 2,239 2,244 2,249 2,255 1,256 1,259 1,281 374,282 13.05,283 13.05,284 13.05,285 13.05,286 13.05,287 12.22,288 21.224,289 7.506,290 13.386,291 10.241,292 10.241,293 10.241,294 10.241,295 10.241,296 8.837,297 27.534,298 3.412,299 10.685,300 3.822,301 2.039,302 0.776,303 0.449,304 0.449,305 0.449,306 3.69,310 1,311 1,312 1,313 333,314 3,317 29.45,318 78.364,319 45.549,321 56.482,323 72.581,325 1.402,326 13.882,327 1,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 41,338 156,339 4.494,340 3.666,341 6.871,342 4.265,343 3.281,344 4.039,345 2.186,346 11.508,347 3.23,348 3.866,349 3.551,350 5.968,351 3.554,352 2.622,353 3.138,354 0.916,355 8.371,356 2.436,357 3.55,358 2.831,359 5.445,360 3.322,361 2.379,362 2.684,363 0.366,364 7.195,365 2.233,366 3.33,367 2.524,368 5.226,369 3.077,370 2.087,371 2.458,372 0.172,373 6.158,374 2.054,375 3.15,376 2.215,377 4.754,378 2.873,379 1.901,380 2.269,382 5.201,383 1.833,384 2.5,385 1.415,386 4.352,387 2.252,388 1.272,389 1.5,391 3.738,392 1.244,393 2.287,394 1.14,395 3.786,396 2.073,397 1.083,398 1.267,400 2.739,401 1.071,402 1.668,403 1.1,404 3.094,405 1.594,406 0.617,407 0.641,409 1.143,410 0.601,411 1.508,412 0.771,413 2.892,414 1.31,415 0.395,416 0.419,418 0.595,419 0.357,420 1.255,421 0.645,422 2.56,423 0.942,424 -0.041,425 -0.047,427 -0.076,428 -0.04,429 0.851,430 0.049,431 2.433,432 0.62,433 -0.361,434 -0.417,436 -0.806,437 -0.35,438 0.581,439 -0.368,440 2.277,441 0.207,442 -0.779,443 -0.846,445 -2.174,446 -0.761,447 0.376,448 -0.643,449 2,450 0.097,451 -0.897,452 -1.109,454 -2.56,455 -0.889,456 0.143,457 -0.848,458 1.919,459 -0.021,460 -1,461 -1.27,463 -2.871,464 -0.97,465 -0.2,466 -0.929,467 1.607,468 -0.435,469 -1.4,470 -1.64,472 -3.192,473 -1.368,474 8.967,475 0.472,476 0.448,477 0.024,478 20.5,479 1.079,480 8,481 0.421,482 12.5,483 0.658,484 16.533,485 0.87,486 21.633,487 0.555,488 12.757,489 0.671,490 3.806,491 0.2,492 5.418,493 0.285,494 0.149,496 0.379,501 0.783,502 1.46,503 0.87,504 1.234,505 0.571,506 1.084,507 0.638,508 0.971,509 0.888,510 0.926,511 0.379,512 0.925,513 0.954,514 0.991,515 0.968,516 0.989,517 0.633,518 0.977,519 0.998,520 1.168,521 1.132,522 1.208,523 0.95,524 1.201,525 0.758,526 1.016,527 0.93,528 1.058,529 0.772,530 1.026,531 0.995,532 0.963,533 0.994,534 1.018,535 0.893,536 1.019,537 1.036,538 1.106,539 0.883,540 1.024,541 1.255,542 0.948,543 1.985,544 0.811,545 1.307,546 0.843,547 2.656,548 0.959,549 4,550 0.017,551 2.222,552 1.542,553 1.014,554 0.524,555 0.38,556 0.231,557 0.143,558 0.065,559 3040,560 6920,561 2.081,562 51.3,563 1,564 11,567 1,569 7,572 1.603,573 1.932,574 3.006,575 -0.301,577 1,579 1,582 57.089,583 1.464,584 3.247,585 4.509,586 4.836,587 4.836,588 4.836,589 2.55,590 4.037,591 4.212,592 3.109,593 531.676,594 7.181,595 5026.94,596 1,597 1,599 1,600 206.131,601 1.462,602 4.171,603 0.19,604 0.006,605 0.074,606 0.05,607 0.041,608 0.026,609 0.027,610 0.019,611 0.016,612 0.013,613 0.462,614 0.83,615 1,616 1.433,617 81.244,618 -0.013,619 -0.187,620 0.07,621 -0.07,622 -0.009,624 0.274,625 0.195,626 0.083,627 0.115,628 0.239,629 0.083,630 -0.085,631 0.062,632 -0.011,633 0.042,634 0.026,635 0.032,636 -0.104,637 -0.167,638 -0.182,639 -0.168,640 -0.047,641 -0.187,642 0.005,643 -0.092,644 0.014,645 -0.08,646 0.004,647 -0.037,648 0.019,649 -0.084,650 -0.019,651 -0.063,652 -0.06,653 -0.054,654 0.003,655 -0.212,656 0.103,657 -0.09,658 -0.075,659 0.004,660 -0.146,661 0.143,662 -0.211,663 -0.003,664 -0.275,665 -0.107,666 2.073,667 4.266,668 0.632,669 14.022,670 0.995,671 1.132,672 1.983,673 3.93,674 0.635,675 3.091,676 3.434,677 3.761,678 4.078,679 4.357,680 4.511,681 4.644,682 4.718,683 4.682,684 4.654,685 4.723,686 0.595,687 260.37,688 3.091,689 4.635,690 5.509,691 6.412,692 7.313,693 8.227,694 9.138,695 10.058,696 10.976,697 11.899,698 5.1,701 1,705 1,715 3,720 3,722 6,737 1,741 39,743 7,744 1,745 21,747 41,748 15,749 6,750 3,751 3,756 3,757 6,763 1,767 3,768 1,770 3,772 7,773 8,774 1,777 1,782 1,786 1,789 1,790 1,793 20,794 4,795 1,796 4,802 2,808 0.333,809 2,828 1,829 2,830 1,832 1,834 1,855 1,859 1,864 2,868 19,876 4,877 1,878 1,880 2,881 1,893 5.1,896 1,898 1,901 9.833,902 7.45,903 4.278,904 2.628,907 1.326,908 1.194,909 0.957,910 3.397,911 8.17,912 3.258,913 3.773,914 4.28,915 4.815,916 5.329,917 5.593,918 5.929,919 6.185,920 6.188,921 6.251,922 0.833,923 31,924 7.051,926 2.989,927 0.026,929 7.623,931 13.884,933 11.823,936 2.123,937 40.333,938 0.002,941 223.651,942 73.308,943 21.135,945 36.145,948 73.308,949 259.796,950 21.135,951 17.222,952 27.291,953 28.429,954 25.145,955 25.739,956 6.763,957 223.651,959 223.651,960 94.443,961 36.145,964 141.253,965 118.543,968 39.241,969 55.202,972 223.651,973 57.28,974 73.308,977 223.651,978 27.658,979 48.775,980 18.011,981 36.145,982 223.651,983 57.28,984 73.308,986 0.578,987 0.353,988 0.191,989 0.109,990 16,991 7,992 0.073,993 3,994 3,995 1.417,996 3.101,997 144.832,998 0.5,999 11,1000 80.711,1005 12.795,1006 5.044,1007 2.204,1009 57.28,1010 6.087,1015 3.449,1017 18.011,1018 354.239,1019 25,1024 11.266,1028 -0.406,1031 38.811,1032 44.152,1034 0.277,1035 0.614,1036 0.853,1037 0.915,1038 0.915,1039 0.915,1040 4.527,1041 0.617,1042 5.509,1043 2.739,1044 4.111,1045 4.454,1046 2.401,1047 6.368,1048 4.037,1049 5.698,1050 0.395,1051 7.096,1052 1.143,1053 3.761,1054 4.27,1055 1.847,1056 7.357,1057 3.657,1058 7.001,1059 -0.041,1060 8.781,1061 0.595,1062 5.746,1063 6.505,1064 3.519,1065 10.486,1066 5.609,1067 8.334,1068 -0.361,1069 10.523,1070 -0.076,1071 6.217,1072 7.118,1073 3.603,1074 12.319,1075 6.062,1076 9.702,1077 -0.779,1078 12.303,1079 -0.806,1080 7.684,1081 8.881,1082 4.91,1083 14.984,1084 7.508,1085 11.092,1086 -0.897,1087 14.111,1088 -2.174,1089 8.539,1090 9.87,1091 5.291,1092 17.178,1093 8.355,1094 12.501,1095 -1,1096 15.939,1097 -2.56,1098 9.813,1099 11.445,1100 6.388,1101 19.691,1102 9.615,1103 3.281,1104 -1.4,1105 17.784,1106 -2.871,1107 10.849,1108 12.625,1109 6.93,1110 22.035,1111 10.647,1112 2.622,1113 11.508,1114 19.642,1115 -3.192,1116 12.054,1117 14.114,1118 7.902,1119 24.497,1120 11.842,1121 2.379,1122 8.371,1123 21.512,1124 4.039,1125 13.173,1126 15.393,1127 8.539,1128 26.9,1129 12.954,1130 2.087,1131 7.195,1132 23.391,1133 3.138,1134 14.358,1135 16.838,1136 9.436,1137 29.348,1138 14.129,1139 1.901,1140 6.158,1141 25.278,1142 2.684,1143 15.512,1144 18.17,1145 10.13,1146 31.774,1147 15.275,1148 1.272,1149 5.201,1150 27.171,1151 2.458,1152 16.693,1153 19.593,1154 10.981,1155 34.218,1156 16.446,1157 1.083,1158 3.738,1159 29.07,1160 2.269,1161 17.865,1162 20.954,1163 11.71,1164 36.653,1165 17.607,1166 3056,1167 4705,1168 13.929,1169 24.773,1170 31.407,1171 32.589,1172 33.349,1173 31.239,1174 31.273,1175 36.832,1176 7.283,1177 93.296,1178 30.119,1179 5.494,1180 5.666,1181 6.423,1182 5.314,1183 5.281,1184 7.039,1185 3.889,1186 18.814,1187 5.23,1188 9.308,1189 1.496,1190 1.552,1191 1.588,1192 1.488,1193 1.489,1194 1.754,1195 0.347,1196 4.443,1197 1.434,1198 4.081,1199 4.115,1200 4.019,1201 4.007,1202 7.435,1203 4.006,1204 3.681,1205 3.726,1206 3.596,1207 3.519,1208 4.816,1209 3.524,1210 3.516,1211 3.586,1212 3.407,1213 3.256,1214 4.394,1215 3.266,1216 3.391,1217 3.472,1218 3.199,1219 3.19,1220 4.201,1221 3.201,1222 3.131,1223 3.205,1224 2.951,1225 2.978,1226 4.013,1227 2.96,1228 2.971,1229 3.043,1230 2.778,1231 2.807,1232 3.873,1233 2.791,1234 2.917,1235 2.971,1236 2.728,1237 2.621,1238 3.586,1239 2.645,1240 2.654,1241 2.751,1242 2.436,1243 2.443,1244 3.437,1245 2.426,1246 0.214,1247 0.175,1248 0.327,1249 0.203,1250 0.156,1251 4.494,1252 0.192,1253 3.666,1254 0.104,1255 6.871,1256 0.548,1257 4.265,1258 0.154,1259 3.281,1260 4.039,1261 2.186,1262 11.508,1263 3.23,1264 1.893,1265 1.876,1266 2.01,1267 1.983,1268 1.396,1269 1.993,1270 1.8,1271 1.74,1272 1.978,1273 1.974,1274 1.194,1275 1.976,1276 1.439,1277 1.363,1278 1.759,1279 1.737,1280 0.952,1281 1.721,1282 1.399,1283 1.324,1284 1.69,1285 1.638,1286 0.78,1287 1.681,1288 1.15,1289 1.081,1290 1.468,1291 1.354,1292 0.681,1293 1.394,1294 1.011,1295 0.943,1296 1.264,1297 1.26,1298 0.486,1299 1.259,1300 0.843,1301 0.792,1302 1.102,1303 1.13,1304 0.162,1305 1.13,1306 0.705,1307 0.648,1308 0.999,1309 0.943,1310 0.114,1311 0.979,1312 3.761,1314 5.094,1315 2.398,1316 6.637,1317 4.949,1318 8.277,1319 7.222,1320 9.97,1322 3.795,1328 4.701,1329 2.474,1330 5.227,1332 1.198,1333 2.543,1340 23.214,1341 57.089,1342 126.621,1343 175.866,1344 188.621,1345 188.621,1346 188.621,1347 24.435,1348 6.844,1349 41.57,1350 41.57,1351 17,1352 12.406,1353 3,1354 2.322,1355 27.828,1356 54,1357 58,1358 0.273,1359 142.347,1360 249.1,1361 339.086,1362 7057,1364 13.405,1365 0.706,1366 0.604,1367 13.405,1368 11.479,1369 9.224,1370 0.439,1371 0.333,1372 6.904,1373 8.84,1374 6.711,1375 5.552,1376 9.224,1377 7,1378 8.161,1379 0.272,1380 0.177,1381 8.161,1382 5.296,1383 7.265,1384 0.173,1385 0.105,1386 7.265,1387 4.391,1388 6.065,1389 0.105,1390 0.059,1391 6.065,1392 3.43,1393 5.128,1394 0.067,1395 0.034,1396 5.128,1397 2.604,1398 0.412,1399 57.87,1400 0.268,1401 18.683,1402 0.79,1403 102,1404 269.449,1405 112.555,1406 254.95,1407 351.87,1408 240,1409 123,1410 262.782,1411 132.312,1412 262.382,1413 388.96,1414 248,1415 6.767}
{0 CHEMBL60380,1 1.392,2 10.545,3 3.745,4 14.022,5 88.325,6 6.301,7 0.25,8 3.94,9 4.075,10 3.368,11 3.442,12 4.855,13 3.392,14 4.555,15 4.761,16 3.728,17 3.871,18 5.463,19 3.782,20 4.85,21 5.104,22 3.765,23 4.037,24 5.605,25 3.914,26 4.855,27 5.105,28 3.669,29 4,30 5.683,31 3.855,32 4.834,33 5.113,34 3.515,35 3.853,36 5.671,37 3.701,38 4.599,39 4.861,40 3.305,41 3.61,42 5.487,43 3.468,44 4.349,45 4.591,46 3.168,47 3.411,48 5.282,49 3.296,50 4.232,51 4.472,52 3.063,53 3.324,54 5.197,55 3.204,56 0.044,57 0.679,58 11.81,59 4.725,60 5.982,61 6.762,62 0.357,63 1.123,64 22.267,65 7.922,66 30.435,67 11.772,68 0.266,69 1.377,70 29.502,71 10.333,72 23.757,73 15.394,74 0.245,75 1.34,76 29.612,77 10.612,78 31.834,79 15.576,80 0.318,81 1.206,82 29.245,83 9.58,84 37.861,85 14.265,86 0.336,87 0.92,88 23.364,89 7.668,90 35.643,91 11.066,92 0.233,93 0.749,94 18.244,95 5.794,96 26.454,97 8.446,98 0.293,99 0.693,100 16.344,101 5.084,102 28.541,103 7.483,104 19,105 33,106 0.242,107 0.52,108 0.754,109 0.885,110 0.885,111 0.885,112 3.146,113 1.07,114 -3.94,115 -3.9,116 -3.7,121 37.5,122 2,123 4,124 1,127 3,129 1,144 3,145 2,146 1,161 1,176 9,179 1,180 6,183 2,185 1,187 11,192 5,197 1,200 7,206 8,211 3,214 6,219 6,224 2,227 4,231 1,232 4,237 2,239 4,244 2,249 2,251 4,255 1,256 1,259 1,264 6,277 6,281 592,282 15.171,283 15.171,284 15.171,285 15.171,286 15.171,287 14.341,288 22.805,289 9.13,290 15.49,291 11.779,292 11.779,293 11.779,294 11.779,295 11.779,296 10.398,297 30.034,298 4.243,299 12.238,300 4.193,301 2.591,302 1.245,303 0.49,304 0.49,305 0.49,306 3.83,310 1,311 1,312 1,313 494,314 3.464,317 38.765,318 101.158,319 59.259,321 73.008,323 93.503,325 1.636,326 16.234,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 47,338 232,339 4.494,340 3.671,341 6.871,342 4.265,343 3.281,344 4.039,345 2.186,346 11.508,347 3.23,348 3.87,349 3.551,350 5.968,351 3.559,352 2.627,353 3.141,354 0.916,355 8.372,356 2.44,357 3.562,358 2.831,359 5.452,360 3.334,361 2.39,362 2.699,363 0.366,364 7.227,365 2.244,366 3.338,367 2.525,368 5.228,369 3.096,370 2.109,371 2.462,372 0.172,373 6.172,374 2.074,375 3.154,376 2.215,377 4.802,378 2.902,379 1.933,380 2.272,382 5.4,383 1.861,384 2.622,385 1.784,386 4.356,387 2.557,388 1.565,389 1.614,391 3.758,392 1.547,393 2.5,394 1.415,395 3.786,396 2.251,397 1.269,398 1.5,400 2.995,401 1.243,402 2.286,403 1.138,404 3.568,405 2.073,406 1.082,407 1.265,409 2.736,410 1.071,411 1.763,412 1.05,413 3.091,414 1.663,415 0.699,416 0.723,418 1.234,419 0.668,420 1.663,421 0.78,422 2.915,423 1.587,424 0.608,425 0.633,427 1.081,428 0.594,429 1.263,430 0.668,431 2.561,432 0.984,433 0.027,434 0.03,436 0.055,437 0.025,438 0.854,439 0.102,440 2.485,441 0.682,442 -0.274,443 -0.285,445 -0.508,446 -0.262,447 0.756,448 -0.075,449 2.366,450 0.561,451 -0.453,452 -0.522,454 -0.89,455 -0.452,456 0.571,457 -0.444,458 2.131,459 0.207,460 -0.78,461 -0.849,463 -2.173,464 -0.764,465 0.369,466 -0.657,467 2,468 0.097,469 -0.897,470 -1.108,472 -2.467,473 -0.89,474 10.467,475 0.476,476 0.448,477 0.02,478 22,479 1,480 8,481 0.364,482 14,483 0.636,484 21.577,485 0.981,486 25.533,487 0.532,488 13.675,489 0.622,490 3.746,491 0.17,492 6.978,493 0.317,494 0.127,496 0.325,501 0.787,502 1.468,503 0.945,504 1.276,505 0.585,506 1.147,507 0.626,508 1.115,509 0.956,510 1.056,511 0.383,512 1.038,513 0.971,514 0.978,515 0.949,516 0.948,517 0.666,518 0.939,519 0.996,520 1.167,521 1.05,522 1.158,523 0.926,524 1.119,525 1.258,526 0.945,527 0.991,528 0.955,529 1.313,530 0.942,531 1.558,532 0.943,533 1.058,534 0.967,535 1.511,536 0.967,537 1.795,538 1.069,539 1.125,540 0.998,541 2.13,542 0.995,543 1.653,544 0.921,545 1.238,546 0.97,547 2.232,548 1.045,549 4,550 0.069,551 2.222,552 1.667,553 1.094,554 0.58,555 0.38,556 0.247,557 0.176,558 0.115,559 4955,560 9507,561 2.07,562 54.2,563 6,564 10,567 1,569 9,572 1.641,573 1.941,574 3.325,575 -0.354,577 1,582 66.808,583 1.392,584 2.994,585 4.34,586 5.095,587 5.095,588 5.095,589 2.902,590 3.698,591 4.42,592 3.457,593 798.664,594 7.582,595 8749.41,597 1,599 1,600 268.078,601 1.395,602 4.392,603 0.167,604 0.007,605 0.067,606 0.049,607 0.038,608 0.024,609 0.02,610 0.015,611 0.012,612 0.01,613 0.408,614 0.5,615 1,616 1.923,617 101.793,618 0.005,619 -0.159,620 0.066,621 -0.059,622 -0.002,623 0.001,624 0.296,625 0.059,626 0.052,627 0.017,628 0.245,629 0.007,630 -0.061,631 0.068,632 0.035,633 0.062,634 0.004,635 0.064,636 -0.046,637 -0.154,638 -0.071,639 -0.137,640 0.005,641 -0.112,642 -0.074,643 -0.009,644 0.007,645 -0.012,646 -0.066,647 0.008,648 -0.055,649 -0.035,650 -0.028,651 -0.016,652 -0.087,653 -0.022,654 -0.184,655 -0.113,656 -0.072,657 -0.035,658 -0.237,659 -0.044,660 -0.08,661 0.103,662 -0.177,663 -0.022,664 -0.195,665 -0.104,666 2.01,667 4.772,668 0.545,669 20.157,670 0.989,671 1.133,672 2.713,673 7.359,674 0.626,675 3.219,676 3.526,677 3.829,678 4.143,679 4.407,680 4.564,681 4.691,682 4.779,683 4.779,684 4.812,685 5.86,686 0.579,687 302.46,688 3.219,689 4.745,690 5.602,691 6.491,692 7.378,693 8.283,694 9.186,695 10.1,696 11.011,697 11.93,698 4.2,701 1,705 1,715 3,720 3,722 6,737 1,741 48,743 7,744 1,745 24,747 50,748 18,749 6,750 3,751 3,756 3,757 6,763 2,767 3,768 1,770 5,772 7,773 11,774 1,777 1,782 1,786 1,790 1,793 26,794 4,795 1,796 4,802 2,808 0.333,809 2,828 1,829 2,830 1,832 1,834 1,855 1,859 1,864 2,868 22,876 7,877 1,878 1,880 2,881 1,893 4.2,896 1,898 1,901 11.333,902 8.95,903 5.028,904 3.503,907 1.304,908 1.184,909 0.946,910 4.918,911 8.395,912 3.367,913 3.839,914 4.321,915 4.855,916 5.353,917 5.619,918 5.951,919 6.218,920 6.257,921 6.376,922 1,923 34,924 8.203,926 3.436,927 0.026,929 7.538,931 16.333,933 13.803,936 2.038,937 44.833,938 0.001,940 1,941 294.278,942 80.911,943 21.135,945 36.145,948 80.911,949 330.422,950 21.135,951 17.65,952 34.466,953 28.429,954 25.145,955 25.739,956 6.763,957 294.278,959 294.278,960 102.047,961 36.145,964 188.338,965 142.085,968 55.241,969 46.806,972 294.278,973 57.28,974 80.911,977 294.278,978 34.832,979 49.203,980 18.011,981 36.145,982 294.278,983 57.28,984 80.911,986 0.564,987 0.333,988 0.186,989 0.104,990 16,991 7,992 0.12,993 6,994 3,995 1.417,996 3.464,997 170.339,998 0.5,999 11,1000 98.107,1005 15.666,1006 6.907,1007 3.271,1009 57.28,1010 6.175,1015 3.492,1017 18.011,1018 432.469,1019 28,1024 11.772,1028 -0.343,1031 47.461,1032 54.398,1034 0.249,1035 0.536,1036 0.777,1037 0.912,1038 0.912,1039 0.912,1040 4.62,1041 1.082,1042 5.58,1043 2.995,1044 4.205,1045 4.522,1046 2.401,1047 6.412,1048 4.135,1049 5.766,1050 0.699,1051 7.144,1052 2.736,1053 3.761,1054 4.27,1055 1.847,1056 7.357,1057 3.657,1058 7.051,1059 0.608,1060 8.813,1061 1.234,1062 5.802,1063 6.531,1064 3.519,1065 10.5,1066 5.667,1067 8.37,1068 0.027,1069 10.544,1070 1.081,1071 6.217,1072 7.118,1073 3.603,1074 12.322,1075 6.062,1076 9.728,1077 -0.274,1078 12.318,1079 0.055,1080 7.714,1081 8.891,1082 4.91,1083 14.989,1084 7.536,1085 11.111,1086 -0.453,1087 14.12,1088 -0.508,1089 8.542,1090 9.871,1091 5.291,1092 17.18,1093 8.357,1094 12.515,1095 -0.78,1096 15.946,1097 -0.89,1098 9.828,1099 11.45,1100 6.388,1101 19.692,1102 9.628,1103 3.281,1104 -0.897,1105 17.789,1106 -2.173,1107 10.853,1108 12.626,1109 6.93,1110 22.035,1111 10.649,1112 2.627,1113 11.508,1114 19.646,1115 -2.467,1116 12.062,1117 14.116,1118 7.902,1119 24.498,1120 11.847,1121 2.39,1122 8.372,1123 21.515,1124 4.039,1125 13.176,1126 15.394,1127 8.539,1128 26.901,1129 12.956,1130 2.109,1131 7.227,1132 23.393,1133 3.141,1134 14.362,1135 16.839,1136 9.436,1137 29.348,1138 14.132,1139 1.933,1140 6.172,1141 25.28,1142 2.699,1143 15.515,1144 18.171,1145 10.13,1146 31.774,1147 15.277,1148 1.565,1149 5.4,1150 27.173,1151 2.462,1152 16.696,1153 19.594,1154 10.981,1155 34.218,1156 16.447,1157 1.269,1158 3.758,1159 29.071,1160 2.272,1161 17.866,1162 20.954,1163 11.71,1164 36.654,1165 17.608,1166 4941,1167 6958,1168 16.008,1169 30.057,1170 35.364,1171 36.398,1172 37.076,1173 35.184,1174 35.182,1175 40.757,1176 7.283,1177 101.076,1178 33.993,1179 5.494,1180 5.671,1181 6.782,1182 5.34,1183 5.281,1184 7.039,1185 3.889,1186 18.814,1187 5.23,1188 10.472,1189 1.473,1190 1.517,1191 1.545,1192 1.466,1193 1.466,1194 1.698,1195 0.303,1196 4.212,1197 1.416,1198 4.082,1199 4.116,1200 4.019,1201 4.008,1202 7.435,1203 4.006,1204 3.728,1205 3.792,1206 3.62,1207 3.55,1208 4.816,1209 3.547,1210 3.652,1211 3.708,1212 3.515,1213 3.512,1214 4.389,1215 3.506,1216 3.435,1217 3.502,1218 3.293,1219 3.247,1220 4.231,1221 3.232,1222 3.364,1223 3.435,1224 3.189,1225 3.117,1226 4.074,1227 3.144,1228 3.129,1229 3.205,1230 2.943,1231 2.976,1232 3.921,1233 2.957,1234 3.002,1235 3.068,1236 2.79,1237 2.81,1238 3.818,1239 2.795,1240 2.944,1241 3.02,1242 2.765,1243 2.722,1244 3.586,1245 2.735,1246 0.187,1247 0.153,1248 0.286,1249 0.178,1250 0.137,1251 4.494,1252 0.168,1253 3.671,1254 0.091,1255 6.871,1256 0.479,1257 4.265,1258 0.135,1259 3.281,1260 4.039,1261 2.186,1262 11.508,1263 3.23,1264 1.893,1265 1.876,1266 2.01,1267 1.984,1268 1.396,1269 1.993,1270 1.8,1271 1.74,1272 1.982,1273 1.977,1274 1.255,1275 1.979,1276 1.699,1277 1.629,1278 1.967,1279 1.893,1280 1.194,1281 1.92,1282 1.435,1283 1.355,1284 1.758,1285 1.649,1286 0.952,1287 1.687,1288 1.313,1289 1.253,1290 1.608,1291 1.61,1292 0.78,1293 1.608,1294 1.15,1295 1.079,1296 1.468,1297 1.356,1298 0.754,1299 1.395,1300 1.022,1301 0.955,1302 1.272,1303 1.285,1304 0.488,1305 1.289,1306 0.904,1307 0.847,1308 1.188,1309 1.162,1310 0.256,1311 1.184,1312 3.892,1314 5.198,1315 2.398,1316 6.713,1317 4.949,1318 8.331,1319 7.222,1320 10.009,1322 4.335,1328 7.435,1329 2.793,1330 5.424,1332 1.195,1333 2.556,1340 27.794,1341 66.808,1342 143.706,1343 208.304,1344 244.568,1345 244.568,1346 244.568,1347 33.189,1348 7.092,1349 41.57,1350 41.57,1351 17,1352 12.441,1353 3,1354 2.322,1355 34.7,1356 78,1357 94,1358 0.23,1359 171.124,1360 301,1361 409.302,1362 10208,1364 15.527,1365 0.706,1366 0.618,1367 15.527,1368 13.6,1369 10.724,1370 0.447,1371 0.357,1372 8.469,1373 10.354,1374 8.253,1375 6.868,1376 10.724,1377 8.561,1378 9.249,1379 0.28,1380 0.192,1381 9.249,1382 6.326,1383 7.868,1384 0.175,1385 0.111,1386 7.868,1387 4.987,1388 6.759,1389 0.109,1390 0.061,1391 6.759,1392 3.782,1393 5.533,1394 0.068,1395 0.034,1396 5.533,1397 2.773,1398 0.36,1399 66.766,1400 0.25,1401 21.831,1402 0.627,1403 114,1404 281.449,1405 124.889,1406 267.323,1407 370.07,1408 252,1409 135,1410 277.064,1411 144.645,1412 276.166,1413 409.7,1414 262,1415 6.686}
{0 CHEMBL604096,1 1.337,2 14.625,3 5.887,4 34.66,5 130.555,6 7.01,7 0.514,8 4.181,9 4.29,10 3.704,11 3.766,12 5.245,13 3.725,14 4.717,15 4.89,16 4.022,17 4.147,18 5.693,19 4.09,20 4.921,21 5.089,22 4.137,23 4.322,24 5.928,25 4.232,26 5.097,27 5.327,28 4.068,29 4.318,30 6.031,31 4.202,32 5.052,33 5.267,34 4.011,35 4.283,36 6.035,37 4.166,38 5.037,39 5.275,40 3.901,41 4.252,42 5.979,43 4.104,44 4.969,45 5.236,46 3.734,47 4.136,48 5.832,49 3.976,50 4.73,51 4.972,52 3.611,53 3.97,54 5.608,55 3.823,56 0.035,57 0.774,58 12.999,59 6.069,60 9.856,61 7.886,62 0.229,63 1.292,64 24.303,65 9.775,66 22.217,67 12.855,68 0.236,69 1.564,70 29.246,71 12.806,72 29.703,73 17.044,74 0.291,75 1.82,76 37.21,77 14.688,78 46.905,79 19.987,80 0.452,81 1.713,82 35.731,83 13.958,84 58.176,85 18.605,86 0.362,87 1.683,88 35.158,89 14.444,90 55.499,91 19.729,92 0.295,93 1.56,94 33.584,95 13.479,96 49.089,97 18.638,98 0.173,99 1.253,100 25.6,101 10.689,102 33.468,103 14.716,104 21,105 48,106 0.215,107 0.512,108 0.691,109 0.786,110 0.815,111 0.825,112 3.502,113 0.933,114 -5.65,115 -5.52,116 -5.15,121 45.9,123 2,126 3,127 2,137 1,138 1,144 11,145 5,146 2,159 1,176 20,180 6,187 23,191 1,192 12,200 19,206 10,214 12,218 1,219 7,227 14,231 1,232 6,239 18,244 4,251 18,256 4,264 13,268 1,269 6,277 8,281 1806,282 21.911,283 21.911,284 21.911,285 21.911,286 21.911,287 19.476,288 23.718,289 12.936,290 22.33,291 17.164,292 17.164,293 17.164,294 17.164,295 17.164,296 13.296,297 28.284,298 6.017,299 17.623,300 4.594,301 2.743,302 1.624,303 1.033,304 0.857,305 0.791,306 4.199,312 1,313 1009,314 3.536,318 422.383,322 160.735,325 2.336,326 22.526,329 0.75,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.86,337 67.5,338 468,339 4.525,340 3.669,341 6.673,342 4.179,343 3.176,344 4.18,345 0.995,346 10.724,347 3.19,348 4.159,349 3.186,350 6.114,351 3.759,352 2.784,353 3.734,354 0.86,355 8.899,356 2.721,357 4,358 3.042,359 5.684,360 3.666,361 2.699,362 3.465,363 0.86,364 7.796,365 2.607,366 3.914,367 2.722,368 5.576,369 3.54,370 2.551,371 3.44,372 0.359,373 7.508,374 2.517,375 3.658,376 2.595,377 5.388,378 3.298,379 2.316,380 2.992,382 7,383 2.266,384 3.407,385 2.483,386 5.153,387 3.078,388 2.092,389 2.643,391 6.281,392 2.056,393 3.169,394 2.21,395 4.811,396 2.858,397 1.887,398 2.324,400 5.263,401 1.827,402 3.074,403 2.173,404 4.611,405 2.751,406 1.776,407 2.222,409 4.914,410 1.728,411 2.778,412 1.963,413 4.232,414 2.379,415 1.416,416 1.856,418 3.583,419 1.372,420 2.676,421 1.49,422 3.571,423 2.348,424 1.386,425 1.635,427 2.992,428 1.306,429 2.5,430 1.373,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.5,439 1.018,440 3.334,441 2,442 1,443 1.5,445 2.136,446 1,447 2.044,448 1,449 3.247,450 1.587,451 0.628,452 0.804,454 1.331,455 0.587,456 1.777,457 1,458 3.129,459 1.498,460 0.523,461 0.636,463 1.183,464 0.507,465 1.469,466 0.733,467 2.887,468 1.212,469 0.336,470 0.373,472 0.501,473 0.293,474 15.4,475 0.481,476 0.691,477 0.022,478 41.5,479 1.297,480 22,481 0.688,482 19.5,483 0.609,484 26.79,485 0.837,486 33.8,487 0.554,488 32.684,489 1.021,490 8.571,491 0.268,492 6.996,493 0.219,494 0.119,496 0.318,501 0.757,502 1.194,503 0.829,504 1.088,505 0.613,506 0.985,507 1.264,508 0.819,509 0.937,510 0.793,511 0.764,512 0.81,513 0.75,514 1.255,515 1.027,516 1.222,517 0.811,518 1.168,519 1.034,520 1.062,521 0.985,522 1.03,523 1.271,524 1.003,525 1.252,526 1.013,527 1.12,528 1.023,529 1.264,530 1.05,531 0.811,532 1.038,533 1.026,534 1.073,535 0.982,536 1.077,537 0.872,538 0.855,539 0.926,540 0.882,541 1.228,542 0.908,543 0.742,544 1.054,545 0.984,546 1.058,547 1.032,548 1.053,549 6.5,550 0.14,551 3.111,552 2.063,553 2.222,554 1.021,555 0.767,556 0.332,557 0.279,558 0.221,559 16009,560 37406,561 2.082,562 47.5,563 4,564 25,572 1.738,573 1.959,574 3.801,575 -0.867,582 81.533,583 1.337,584 3.188,585 4.307,586 4.898,587 5.074,588 5.14,589 3.281,590 4.375,591 4.969,592 3.99,593 1978.86,594 8.657,595 30396.5,600 361.775,601 1.366,602 4.936,603 0.186,604 0.006,605 0.065,606 0.04,607 0.048,608 0.024,609 0.02,610 0.01,611 0.01,612 0.008,613 0.417,614 0.33,615 0.88,616 0.781,617 171.833,618 0.019,619 -0.106,620 0.063,621 -0.048,622 -0.011,623 0.002,624 -0.148,625 0.256,626 0.03,627 0.195,628 -0.034,629 0.148,630 0.106,631 -0.231,632 -0.096,633 -0.207,634 0.05,635 -0.181,636 -0.033,637 -0.064,638 0.001,639 -0.054,640 -0.051,641 -0.026,642 -0.037,643 -0.02,644 -0.121,645 -0.047,646 -0.033,647 -0.086,648 0.069,649 -0.075,650 -0.053,651 -0.08,652 0.073,653 -0.081,654 -0.037,655 0.092,656 0.06,657 0.103,658 -0.039,659 0.094,660 -0.01,661 -0.086,662 -0.026,663 -0.061,664 -0.077,665 -0.049,666 1.598,667 6.104,668 0.688,669 39.645,670 0.991,671 1.114,672 4.42,673 19.536,674 0.673,675 3.584,676 3.892,677 4.159,678 4.407,679 4.654,680 4.691,681 4.812,682 4.92,683 5.017,684 5.043,685 8.384,686 0.632,687 427.58,688 3.584,689 5.118,690 5.964,691 6.834,692 7.696,693 8.571,694 9.44,695 10.319,696 11.193,697 12.075,698 1.6,701 1,715 11,720 7,722 18,727 1,739 2,741 61,743 20,744 3,745 35,747 64,748 28,749 18,750 7,751 11,752 3,756 4,757 5,767 2,770 2,772 21,773 7,777 2,782 1,784 1,786 2,793 29,794 4,796 4,802 1,808 0.75,809 3,829 4,833 1,849 1,850 1,855 1,859 3,864 3,868 32,876 4,878 2,881 1,893 4.9,896 1,898 2,901 16.333,902 11.95,903 7.194,904 3.525,907 3.852,908 1.485,909 0.981,910 6.964,911 11.8,912 3.85,913 4.425,914 4.992,915 5.517,916 6.061,917 6.235,918 6.568,919 6.889,920 7.223,921 7.563,922 0.9,923 51,924 11.845,926 4.928,927 0.026,929 7.594,931 22.998,933 18.701,936 2.094,937 67,941 341.362,942 187.892,943 3.124,945 47.145,948 187.892,949 388.507,950 3.124,951 30.162,952 9.28,953 113.715,954 30.278,955 54.724,957 341.362,959 341.362,960 191.016,961 47.145,964 341.362,965 47.145,968 12.405,969 169.135,970 9.476,972 341.362,973 50.269,974 187.892,977 341.362,978 44.014,979 147.002,981 47.145,982 341.362,983 50.269,984 187.892,986 0.573,987 0.341,988 0.187,989 0.103,990 22,991 10,992 0.109,993 7,994 1,995 1.091,996 4.405,997 282.642,998 0.091,999 22,1000 152,1005 22.166,1006 10.054,1007 5.249,1009 50.269,1010 22.677,1015 6.584,1018 579.523,1019 46,1024 13.104,1026 2.013,1028 0.9,1031 60.454,1032 67.939,1034 0.225,1035 0.538,1036 0.726,1037 0.826,1038 0.856,1039 0.867,1040 5.078,1041 1.776,1042 5.938,1043 5.263,1044 4.575,1045 5.112,1046 1.793,1047 6.727,1048 4.535,1049 6.274,1050 1.416,1051 7.483,1052 4.914,1053 4.111,1054 4.832,1055 0.325,1056 7.57,1057 4.063,1058 7.572,1059 1.386,1060 9.124,1061 3.583,1062 6.151,1063 7.264,1064 1.535,1065 10.657,1066 6.088,1067 8.904,1068 1,1069 10.823,1070 2.992,1071 6.494,1072 7.778,1073 0.504,1074 12.312,1075 6.429,1076 10.265,1077 1,1078 12.557,1079 2.275,1080 7.989,1081 9.678,1082 1.342,1083 14.921,1084 7.917,1085 11.648,1086 0.628,1087 14.318,1088 2.136,1089 8.719,1090 10.578,1091 0.585,1092 16.943,1093 8.65,1094 13.048,1095 0.523,1096 16.098,1097 1.331,1098 9.988,1099 12.239,1100 1.189,1101 19.387,1102 9.917,1103 3.176,1104 0.336,1105 17.894,1106 1.183,1107 10.915,1108 13.352,1109 0.622,1110 21.584,1111 10.851,1112 2.784,1113 10.724,1114 19.702,1115 0.501,1116 12.09,1117 14.89,1118 1.066,1119 23.97,1120 12.029,1121 2.699,1122 8.899,1123 21.52,1124 4.18,1125 13.117,1126 16.126,1127 0.639,1128 26.254,1129 13.066,1130 2.551,1131 7.796,1132 23.348,1133 3.734,1134 14.257,1135 17.6,1136 0.969,1137 28.621,1138 14.211,1139 2.316,1140 7.508,1141 25.184,1142 3.465,1143 15.336,1144 18.91,1145 0.646,1146 30.947,1147 15.301,1148 2.092,1149 7,1150 27.028,1151 3.44,1152 16.466,1153 20.352,1154 0.891,1155 33.31,1156 16.44,1157 1.887,1158 6.281,1159 28.877,1160 2.992,1161 17.573,1162 21.706,1163 0.648,1164 35.657,1165 17.558,1166 15200,1167 23387,1168 23.463,1169 41.029,1170 51.919,1171 53.326,1172 53.363,1173 51.245,1174 51.285,1175 66.786,1176 6.147,1177 145.123,1178 50.098,1179 5.47,1180 5.669,1181 6.475,1182 5.182,1183 5.176,1184 7.18,1185 1.855,1186 17.973,1187 5.19,1188 15.338,1189 1.483,1190 1.524,1191 1.525,1192 1.464,1193 1.465,1194 1.908,1195 0.176,1196 4.146,1197 1.431,1198 4.057,1199 4.076,1200 4.009,1201 3.992,1202 7.427,1203 3.993,1204 3.939,1205 3.97,1206 3.874,1207 3.869,1208 4.918,1209 3.866,1210 3.881,1211 3.908,1212 3.815,1213 3.83,1214 4.775,1215 3.823,1216 3.612,1217 3.648,1218 3.537,1219 3.486,1220 4.729,1221 3.492,1222 3.481,1223 3.548,1224 3.352,1225 3.285,1226 4.495,1227 3.291,1228 3.261,1229 3.321,1230 3.105,1231 3.061,1232 4.339,1233 3.059,1234 3.205,1235 3.268,1236 3.049,1237 2.977,1238 4.2,1239 2.987,1240 3.136,1241 3.197,1242 2.959,1243 2.898,1244 4.017,1245 2.895,1246 0.129,1247 0.105,1248 0.191,1249 0.119,1250 0.091,1251 4.525,1252 0.119,1253 3.669,1254 0.028,1255 6.673,1256 0.306,1257 4.179,1258 0.091,1259 3.176,1260 4.18,1261 0.995,1262 10.724,1263 3.19,1264 2.01,1265 1.994,1266 2.105,1267 2.092,1268 1.339,1269 2.096,1270 1.929,1271 1.901,1272 2.053,1273 2.03,1274 1.227,1275 2.039,1276 1.889,1277 1.864,1278 2.002,1279 1.964,1280 1.124,1281 1.979,1282 1.576,1283 1.544,1284 1.757,1285 1.753,1286 0.918,1287 1.756,1288 1.449,1289 1.377,1290 1.696,1291 1.673,1292 0.839,1293 1.683,1294 1.213,1295 1.157,1296 1.576,1297 1.525,1298 0.603,1299 1.541,1300 1.181,1301 1.111,1302 1.52,1303 1.421,1304 0.574,1305 1.456,1306 1.12,1307 1.046,1308 1.412,1309 1.339,1310 0.559,1311 1.36,1312 4.263,1314 5.572,1316 7.084,1318 8.689,1320 10.342,1322 5.334,1328 3.326,1330 10.763,1333 2.298,1340 38.541,1341 81.533,1342 194.46,1343 262.702,1344 298.755,1345 309.51,1346 313.51,1347 54.775,1348 7.949,1349 38.77,1350 38.77,1351 24,1352 12.612,1353 4.392,1354 3.585,1355 52.309,1356 163,1357 160,1358 0.156,1359 236.364,1360 419.15,1361 568.488,1362 35049,1364 22.501,1365 0.703,1366 0.592,1367 22.501,1368 18.929,1369 15.567,1370 0.445,1371 0.311,1372 10.753,1373 15.091,1374 10.344,1375 8.666,1376 15.567,1377 10.887,1378 13.632,1379 0.284,1380 0.172,1381 13.632,1382 8.263,1383 11.627,1384 0.185,1385 0.093,1386 11.627,1387 5.878,1388 9.628,1389 0.119,1390 0.052,1391 9.628,1392 4.216,1393 7.938,1394 0.076,1395 0.029,1396 7.938,1397 2.987,1398 0.253,1399 96.908,1400 0.206,1401 30.602,1402 0.403,1403 166,1404 442.852,1405 175.609,1406 428.89,1407 587.22,1408 404,1409 194,1410 421.488,1411 204.914,1412 438.738,1413 634.33,1414 407,1415 6.745}
{0 CHEMBL604255,1 1.532,2 9.542,3 1.441,4 2.078,5 91.637,6 7.54,7 0.24,8 3.922,9 4.017,10 3.667,11 3.46,12 4.978,13 3.394,14 4.511,15 4.661,16 3.905,17 3.811,18 5.704,19 3.721,20 4.699,21 4.855,22 4.03,23 4.018,24 5.773,25 3.912,26 4.908,27 5.083,28 4.009,29 4.01,30 6.063,31 3.918,32 4.923,33 5.114,34 3.939,35 3.937,36 6.028,37 3.84,38 4.871,39 5.109,40 3.742,41 3.888,42 6.015,43 3.728,44 4.744,45 5.016,46 3.562,47 3.821,48 5.625,49 3.632,50 4.602,51 4.828,52 3.54,53 3.676,54 5.674,55 3.551,56 0.137,57 0.607,58 13.278,59 5.685,60 15.896,61 5.978,62 0.755,63 0.935,64 24.072,65 9.137,66 62.035,67 9.705,68 0.414,69 1.176,70 29.964,71 11.894,72 46.853,73 12.275,74 0.905,75 1.286,76 36.604,77 12.425,78 96.947,79 13.487,80 1.194,81 1.251,82 38.815,83 11.676,84 115.422,85 13.316,86 1.166,87 1.201,88 34.016,89 11.296,90 124.082,91 14.399,92 0.508,93 1.116,94 33.693,95 11.562,96 56.824,97 13.794,98 0.6,99 0.926,100 25.979,101 8.652,102 70.03,103 10.357,104 31,105 34,106 0.266,107 0.594,108 0.793,109 0.843,110 0.853,111 0.853,112 3.228,113 1.136,114 -2.93,115 -2.93,116 -2.83,121 36.2,122 1,123 1,124 1,126 2,127 3,138 1,140 1,144 5,145 1,160 1,176 8,179 4,180 6,187 8,192 10,200 4,205 2,206 12,214 2,218 3,219 2,227 4,231 6,239 6,244 3,251 6,256 8,264 4,269 10,277 2,281 882,282 15.983,283 15.983,284 15.983,285 15.983,286 15.983,287 14.644,288 15.739,289 9.366,290 16.333,291 12.138,292 12.138,293 12.138,294 12.138,295 12.138,296 9.993,297 15.341,298 4.224,299 12.556,300 4.022,301 2.134,302 0.992,303 0.703,304 0.644,305 0.644,306 3.888,310 1,311 1,312 1,313 466,314 3.606,318 84.703,319 94.001,325 1.285,326 35.3,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 53.667,338 229,339 4.585,340 3.774,341 7.011,342 4.312,343 3.327,344 3.96,345 1.674,346 11.909,347 3.276,348 4.297,349 3.358,350 6.662,351 3.981,352 2.988,353 3.662,354 1.151,355 10.61,356 2.959,357 3.896,358 2.915,359 5.342,360 3.509,361 2.522,362 3.444,363 0.765,364 6.969,365 2.491,366 3.27,367 2.79,368 5.133,369 3.072,370 2.103,371 2.345,373 5.977,374 2.027,375 3.165,376 2.419,377 4.846,378 2.818,379 1.876,380 2.196,382 4.994,383 1.744,384 2.927,385 1.912,386 3.721,387 2.521,388 1.548,389 2.076,391 3.241,392 1.504,393 2.5,394 1.461,395 3.623,396 2.008,397 1.109,398 1.5,400 2.436,401 1,402 2.217,403 1.447,404 3.569,405 2,406 1,407 1.199,409 2.136,410 0.984,411 1.76,412 1.203,413 3.247,414 1.658,415 0.73,416 0.739,418 1.565,419 0.668,420 1.502,421 1,422 3.237,423 1.285,424 0.398,425 0.416,427 0.747,428 0.347,429 1.464,430 0.771,431 3.036,432 1.218,433 0.313,434 0.332,436 0.478,437 0.281,438 1.343,439 0.585,440 2.588,441 0.944,442 -0.036,443 -0.045,445 -0.067,446 -0.035,447 0.911,448 0.136,449 2.378,450 0.667,451 -0.292,452 -0.328,454 -0.762,455 -0.276,456 0.708,457 -0.089,458 2.227,459 0.369,460 -0.611,461 -0.696,463 -1.476,464 -0.596,465 0.5,466 -0.343,467 1.847,468 0.112,469 -0.854,470 -1.029,472 -1.947,473 -0.817,474 11.5,475 0.479,476 0.599,477 0.025,478 25.5,479 1.063,480 10.5,481 0.438,482 15,483 0.625,484 22.958,485 0.957,486 28.1,487 0.598,488 20.014,489 0.834,490 5.196,491 0.216,492 6.292,493 0.262,494 0.188,495 0.087,496 0.217,501 0.891,502 1.463,503 0.818,504 1.587,505 0.686,506 1.147,507 0.96,508 0.905,509 0.99,510 0.985,511 0.66,512 0.88,513 1.084,514 1.249,515 1.221,516 1.389,517 0.956,518 1.107,519 1.349,520 1.128,521 1.2,522 1.124,523 1.445,524 1.101,525 1.432,526 1.01,527 1.141,528 1.034,529 1.524,530 1.081,531 0.712,532 0.827,533 0.794,534 0.677,535 0.717,536 0.947,537 0.697,538 0.92,539 0.972,540 1.053,541 0.641,542 0.895,543 1.258,544 0.747,545 0.886,546 0.621,547 1.368,548 0.825,549 5.5,550 0.095,551 2.889,552 2.188,553 1.371,554 0.855,555 0.457,556 0.285,557 0.248,558 0.164,559 5592,560 17196,561 1.939,562 48.9,564 17,569 6,572 1.673,573 1.789,574 3.193,575 -0.699,576 1,577 1,582 72.027,583 1.532,584 3.421,585 4.562,586 4.852,587 4.911,588 4.911,589 2.584,590 4.335,591 4.554,592 3.359,593 926.982,594 7.882,595 10948.6,597 1,599 1,600 261.066,601 1.613,602 4.488,603 0.22,604 0.007,605 0.085,606 0.056,607 0.038,608 0.028,609 0.018,610 0.012,611 0.011,612 0.008,613 0.483,614 0.33,615 1,616 1.152,617 113.522,618 -0.128,619 -0.209,620 0.244,621 -0.207,622 -0.107,623 -0.04,624 0.191,625 0.166,626 0.057,627 0.137,628 0.167,629 0.11,630 -0.098,631 -0.141,632 -0.115,633 -0.129,634 -0.055,635 -0.077,636 -0.1,637 -0.133,638 -0.18,639 -0.12,640 -0.127,641 -0.157,642 -0.144,643 -0.058,644 -0.144,645 -0.109,646 -0.203,647 -0.16,648 0.245,649 0.083,650 0.063,651 0.094,652 0.223,653 0.004,654 0.022,655 0.026,656 0.052,657 -0.014,658 0.058,659 0.119,660 -0.2,661 0.18,662 0.003,663 0.187,664 -0.166,665 0.118,666 4.036,667 5.458,668 0.542,669 20.313,670 1.012,671 1.127,672 1.697,673 2.88,674 0.65,675 3.258,676 3.555,677 3.761,678 3.932,679 4.043,680 4.111,681 4.143,682 4.007,683 3.912,684 3.912,685 5.739,686 0.607,687 354.37,688 3.258,689 4.779,690 5.602,691 6.469,692 7.31,693 8.185,694 9.033,695 9.911,696 10.764,697 11.645,715 5,720 1,722 6,741 47,743 9,744 1,745 25,747 48,748 17,749 6,750 1,751 5,752 3,756 2,757 2,763 1,767 1,768 1,770 1,772 9,773 8,774 1,777 3,782 2,786 3,788 1,789 1,790 1,793 23,794 6,796 7,797 1,808 1,809 6,816 1,818 1,829 1,830 1,846 1,849 1,850 1,858 1,859 2,864 3,868 24,876 4,878 4,880 1,893 12.8,896 2,897 3,898 1,901 13.417,902 9.2,903 5.542,904 2.603,906 1,907 1.385,908 1.212,909 0.919,910 6.908,911 7.922,912 3.466,913 3.961,914 4.341,915 4.697,916 4.962,917 4.953,918 4.998,919 4.904,920 5.027,921 5.325,922 1,923 39,924 9.086,926 3.901,927 0.026,929 7.95,931 16.895,933 13.499,936 2.45,937 58.806,941 285.403,942 108.498,945 81.251,947 14.668,948 108.498,949 351.987,951 30.591,952 11.719,953 62.049,954 82.686,955 17.371,957 270.735,959 270.735,960 108.498,961 81.251,962 14.668,964 200.109,965 127.035,966 24.843,968 20.545,969 82.71,970 19.912,972 270.735,973 81.251,974 108.498,975 14.668,976 14.668,977 270.735,978 30.525,979 77.973,981 81.251,982 270.735,983 81.251,984 123.166,986 0.572,987 0.34,988 0.172,989 0.087,990 14,991 7,992 0.146,993 7,995 1,996 3.457,997 184.376,999 13,1000 106.039,1005 19.045,1006 8.706,1007 5.103,1009 81.251,1010 9.763,1015 1.047,1018 475.152,1019 31,1024 24.585,1028 0.142,1030 -3.23,1031 47.542,1032 52.963,1034 0.276,1035 0.616,1036 0.821,1037 0.874,1038 0.884,1039 0.884,1040 4.705,1041 1,1042 5.617,1043 2.436,1044 4.234,1045 4.644,1046 2.344,1047 6.454,1048 4.176,1049 5.906,1050 0.73,1051 7.206,1052 2.136,1053 4.007,1054 4.59,1056 7.74,1057 3.981,1058 7.238,1059 0.398,1060 8.911,1061 1.565,1062 5.911,1063 6.758,1064 3.04,1065 10.71,1066 5.826,1067 8.609,1068 0.313,1069 10.689,1070 0.747,1071 6.509,1072 7.475,1074 12.783,1075 6.446,1076 10.015,1077 -0.036,1078 12.512,1079 0.478,1080 7.922,1081 9.176,1082 3.914,1083 15.371,1084 7.821,1085 11.443,1086 -0.292,1087 14.366,1088 -0.067,1089 8.86,1090 10.206,1092 17.697,1093 8.765,1094 12.888,1095 -0.611,1096 16.24,1097 -0.762,1098 10.11,1099 11.73,1100 4.875,1101 20.186,1102 9.99,1103 3.327,1104 -0.854,1105 18.13,1106 -1.476,1107 11.188,1108 12.905,1110 22.595,1111 11.063,1112 2.988,1113 11.909,1114 20.03,1115 -1.947,1116 12.385,1117 14.348,1118 5.874,1119 25.058,1120 12.241,1121 2.522,1122 10.61,1123 21.937,1124 3.96,1125 13.522,1126 15.598,1128 27.497,1129 13.367,1130 2.103,1131 6.969,1132 23.851,1133 3.662,1134 14.705,1135 17,1136 6.891,1137 29.955,1138 14.533,1139 1.876,1140 5.977,1141 25.769,1142 3.444,1143 15.868,1144 18.292,1146 32.406,1147 15.682,1148 1.548,1149 4.994,1150 27.691,1151 2.345,1152 17.05,1153 19.673,1154 7.915,1155 34.865,1156 16.847,1157 1.109,1158 3.241,1159 29.615,1160 2.196,1161 18.225,1162 20.99,1164 37.322,1165 18.008,1166 5719,1167 10155,1168 15.89,1169 30.546,1170 36.091,1171 38.057,1172 39.016,1173 35.645,1174 35.826,1175 43.737,1176 7.18,1177 102.126,1178 34.563,1179 5.537,1180 5.774,1181 6.813,1182 5.369,1183 5.327,1184 6.96,1185 3.349,1186 18.877,1187 5.276,1188 13.513,1189 1.444,1190 1.522,1191 1.561,1192 1.426,1193 1.433,1194 1.749,1195 0.287,1196 4.085,1197 1.383,1198 3.966,1199 3.984,1200 4.464,1201 4.019,1202 7.433,1203 3.866,1204 3.887,1205 3.911,1206 3.84,1207 3.845,1208 7.392,1209 3.807,1210 3.585,1211 3.59,1212 3.705,1213 3.586,1214 4.795,1215 3.44,1216 3.437,1217 3.472,1218 3.321,1219 3.228,1220 4.665,1221 3.227,1222 3.282,1223 3.345,1224 3.115,1225 3.021,1226 4.496,1227 3.02,1228 3.214,1229 3.28,1230 3.044,1231 2.993,1232 4.473,1233 3.001,1234 3.055,1235 3.135,1236 2.853,1237 2.839,1238 4.347,1239 2.813,1240 2.889,1241 2.952,1242 2.687,1243 2.735,1244 3.83,1245 2.715,1246 0.183,1247 0.151,1248 0.28,1249 0.172,1250 0.133,1251 4.585,1252 0.158,1253 3.774,1254 0.067,1255 7.011,1256 0.476,1257 4.312,1258 0.131,1259 3.327,1260 3.96,1261 1.674,1262 11.909,1263 3.276,1264 1.906,1265 1.879,1266 2.037,1267 2.002,1268 1.355,1269 2.014,1270 1.791,1271 1.761,1272 1.947,1273 1.919,1274 1.134,1275 1.933,1276 1.673,1277 1.665,1278 1.725,1279 1.761,1280 1.034,1281 1.842,1282 1.303,1283 1.26,1284 1.59,1285 1.593,1286 0.727,1287 1.594,1288 1.224,1289 1.16,1290 1.578,1291 1.524,1292 0.604,1293 1.548,1294 1.177,1295 1.104,1296 1.516,1297 1.463,1298 0.581,1299 1.486,1300 1.051,1301 0.962,1302 1.361,1303 1.26,1304 0.562,1305 1.324,1306 0.886,1307 0.821,1308 1.181,1309 1.122,1310 0.315,1311 1.122,1312 3.932,1314 5.231,1316 6.723,1317 2.708,1318 8.295,1319 5.38,1320 9.908,1322 4.261,1328 1.43,1330 21.065,1332 -0.257,1340 28.534,1341 72.027,1342 160.788,1343 214.436,1344 228.046,1345 230.801,1346 230.801,1347 64.814,1348 6.537,1349 71.06,1350 80.87,1351 13,1352 12.186,1353 3.322,1354 2.807,1355 48.227,1356 79,1357 90,1358 0.292,1359 182.323,1360 326.41,1361 436.628,1362 5225,1364 17.579,1365 0.732,1366 0.628,1367 17.829,1368 15.084,1369 11.487,1370 0.459,1371 0.379,1372 7.72,1373 10.02,1374 7.288,1375 6.086,1376 12.268,1377 9.467,1378 10.042,1379 0.295,1380 0.229,1381 11.351,1382 7.773,1383 8.201,1384 0.195,1385 0.139,1386 9.41,1387 5.843,1388 6.306,1389 0.126,1390 0.083,1391 7.242,1392 4.15,1393 4.569,1394 0.082,1395 0.053,1396 5.423,1397 2.941,1398 0.45,1399 80.962,1400 0.251,1401 23.322,1402 0.822,1403 118,1404 436.026,1405 169.997,1406 405.258,1407 531.74,1408 378,1409 135,1410 337.077,1411 194.682,1412 368.162,1413 535.89,1414 340,1415 5.222}
{0 CHEMBL604478,1 1.454,2 9.429,3 3.271,4 10.696,5 113.711,6 7.24,7 0.194,8 4.043,9 4.152,10 3.585,11 3.614,12 5.149,13 3.586,14 4.584,15 4.744,16 3.986,17 4.036,18 5.637,19 3.992,20 4.857,21 5.021,22 4.161,23 4.256,24 5.944,25 4.196,26 5.027,27 5.236,28 4.131,29 4.32,30 6,31 4.226,32 5.1,33 5.339,34 3.989,35 4.323,36 6.024,37 4.189,38 5.035,39 5.292,40 3.91,41 4.239,42 5.97,43 4.089,44 4.914,45 5.166,46 3.824,47 4.11,48 5.849,49 3.984,50 4.816,51 5.05,52 3.772,53 3.983,54 5.804,55 3.873,56 0.034,57 0.706,58 10.885,59 5.045,60 10.149,61 6.435,62 0.162,63 1.175,64 20.23,65 8.541,66 23.126,67 11.284,68 0.266,69 1.548,70 26.852,71 10.888,72 42.569,73 14.496,74 0.263,75 1.804,76 33.304,77 12.916,78 47.2,79 17.777,80 0.42,81 1.891,82 37.213,83 13.822,84 62.537,85 19.389,86 0.31,87 1.709,88 35.197,89 14.123,90 56.495,91 20.03,92 0.269,93 1.518,94 31.337,95 11.851,96 48.356,97 16.595,98 0.201,99 1.32,100 28.291,101 11.008,102 40.589,103 14.887,104 30,105 46,106 0.242,107 0.649,108 0.831,109 0.892,110 0.892,111 0.892,112 3.376,113 0.915,114 -4.27,115 -4.21,116 -3.97,121 44.2,122 2,123 2,124 1,126 1,132 1,137 4,138 3,140 1,144 3,145 1,146 2,157 1,160 1,176 13,180 6,183 1,185 4,187 16,192 9,195 1,197 4,200 15,206 9,209 1,211 4,214 19,218 1,219 1,224 2,227 18,231 1,232 3,235 1,237 3,239 20,244 5,249 2,251 14,256 7,261 4,264 5,269 7,272 1,274 4,281 1288,282 18.875,283 18.875,284 18.875,285 18.875,286 18.875,287 16.792,288 24.615,289 10.684,290 19.156,291 15.139,292 15.139,293 15.139,294 15.139,295 15.139,296 12.018,297 30.134,298 4.842,299 15.511,300 4.247,301 1.809,302 0.712,303 0.351,304 0.351,305 0.351,306 4.07,311 1,312 1,313 569,314 3.391,318 264.923,320 80.665,322 104.224,324 123.484,325 1.214,326 27.461,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 60,338 264,339 4.862,340 4.145,341 8.052,342 4.683,343 3.699,344 4.175,345 1.398,346 15.6,347 3.639,348 4.248,349 3.481,350 6.179,351 3.824,352 2.865,353 3.902,354 1.081,355 8.759,356 2.746,357 4.026,358 3.13,359 6.069,360 3.638,361 2.653,362 3.354,363 0.86,364 8.705,365 2.611,366 3.724,367 2.923,368 5.873,369 3.469,370 2.481,371 2.987,372 0.717,373 8.156,374 2.447,375 3.575,376 2.735,377 5.222,378 3.18,379 2.207,380 2.844,381 0.68,382 6.495,383 2.143,384 3.484,385 2.567,386 5.112,387 3.135,388 2.133,389 2.67,390 0.473,391 6,392 2.131,393 3.4,394 2.388,395 4.953,396 3.015,397 1.996,398 2.487,399 0.212,400 5.655,401 2.022,402 2.885,403 1.982,404 4.322,405 2.464,406 1.531,407 2.022,409 3.837,410 1.42,411 2.739,412 1.545,413 4.206,414 2.259,415 1.282,416 1.644,418 3.53,419 1.249,420 2.506,421 1.481,422 4.082,423 2.047,424 1.065,425 1.352,427 2.608,428 1.044,429 2.222,430 1.182,431 3.484,432 1.64,433 0.686,434 0.952,436 1.516,437 0.651,438 1.721,439 0.941,440 3.243,441 1.395,442 0.511,443 0.599,445 0.859,446 0.447,447 1.526,448 0.762,449 2.96,450 1.131,451 0.127,452 0.153,454 0.358,455 0.127,456 1.14,457 0.441,458 2.875,459 0.874,460 -0.092,461 -0.102,463 -0.163,464 -0.085,465 1.048,466 0.395,467 2.699,468 0.799,469 -0.169,470 -0.194,472 -0.322,473 -0.165,474 13.3,475 0.475,476 0.795,477 0.028,478 32.5,479 1.161,480 15,481 0.536,482 17.5,483 0.625,484 27.811,485 0.993,486 29.9,487 0.575,488 25.833,489 0.923,490 6.461,491 0.231,492 7.001,493 0.25,494 0.163,495 0.038,496 0.338,501 0.819,502 1.139,503 0.818,504 1.021,505 0.751,506 0.934,507 0.793,508 1.037,509 0.776,510 0.913,511 0.574,512 0.854,513 0.857,514 1.204,515 0.986,516 1.086,517 0.828,518 1.055,519 0.817,520 1.16,521 1.019,522 1.084,523 0.702,524 1.076,525 0.844,526 0.985,527 1.132,528 1.014,529 0.822,530 1.088,531 0.435,532 0.984,533 0.871,534 1.024,535 0.594,536 1.018,537 0.776,538 0.888,539 0.938,540 0.94,541 0.826,542 0.95,543 0.954,544 1.045,545 0.935,546 1.095,547 0.899,548 1.029,549 7.5,550 0.12,551 4.222,552 2.813,553 2.364,554 1.354,555 0.673,556 0.54,557 0.414,558 0.335,559 8503,560 22276,561 2.064,562 46.2,563 7,564 10,566 1,567 2,569 4,572 1.718,573 1.898,574 3.159,575 0.176,576 1,577 1,582 75.587,583 1.454,584 3.892,585 4.989,586 5.349,587 5.349,588 5.349,589 2.552,590 4.45,591 4.778,592 3.338,593 1261.69,594 8.349,595 15896.3,597 1,599 1,600 296.423,601 1.656,602 4.716,603 0.242,604 0.007,605 0.092,606 0.053,607 0.047,608 0.032,609 0.017,610 0.015,611 0.013,612 0.013,613 0.532,614 0.33,615 1,616 0.887,617 136.981,618 -0.055,619 -0.012,620 0.037,621 0.034,622 -0.084,623 0.046,624 0.03,625 0.039,626 0.13,627 0.111,628 0.064,629 0.128,630 0.013,631 -0.117,632 -0.073,633 -0.083,634 0.002,635 -0.089,636 -0.048,637 -0.108,638 -0.083,639 -0.102,640 -0.015,641 -0.1,642 -0.089,643 0.044,644 -0.177,645 -0.046,646 -0.098,647 -0.108,648 0.134,649 -0.032,650 0.076,651 -0.021,652 0.086,653 0.01,654 -0.03,655 0.093,656 0.03,657 0.04,658 -0.03,659 0.05,660 0.004,661 -0.111,662 0.049,663 -0.099,664 0.003,665 -0.03,666 1.777,667 4.901,668 0.679,669 22.429,670 0.998,671 1.119,672 3.038,673 9.23,674 0.668,675 3.466,676 3.85,677 4.19,678 4.533,679 4.828,680 4.99,681 5.112,682 5.268,683 5.323,684 5.375,685 5.704,686 0.634,687 376.49,688 3.466,689 5.043,690 5.932,691 6.86,692 7.773,693 8.71,694 9.633,695 10.576,696 11.505,697 12.452,698 3.8,705 1,707 1,715 3,720 3,722 6,725 1,738 1,739 1,741 52,743 12,744 1,745 31,747 55,748 23,749 6,750 3,751 3,752 6,756 4,757 7,763 2,767 2,768 2,770 2,772 16,773 7,774 2,777 6,782 1,784 5,785 1,786 5,790 1,793 24,794 5,795 2,796 5,802 2,808 0.5,809 3,829 4,831 1,833 1,835 1,843 1,849 5,850 3,859 2,864 3,868 28,875 1,876 2,877 1,878 1,880 1,882 1,893 5.8,895 1,896 1,898 1,901 14.75,902 10.233,903 6.167,904 3.083,907 2.602,908 1.335,909 0.951,910 4.759,911 10.362,912 3.714,913 4.297,914 4.854,915 5.393,916 5.931,917 6.232,918 6.55,919 6.903,920 7.257,921 7.566,922 1,923 53,924 10.377,926 4.505,927 0.026,929 7.747,931 19.899,933 16.854,936 2.247,937 62.917,940 1,941 258.964,942 134.431,943 34.796,945 78.828,948 134.431,949 337.792,950 34.796,951 28.533,952 23.08,953 66.334,954 96.108,955 45.771,957 247.193,959 258.964,960 169.227,961 78.828,964 211.88,965 125.913,968 57.516,969 62.002,970 49.709,972 258.964,973 113.624,974 134.431,977 258.964,978 30.516,979 103.915,980 18.011,981 95.614,982 258.964,983 113.624,984 134.431,986 0.589,987 0.364,988 0.21,989 0.119,990 24,991 11,992 0.055,993 3,994 3,995 1.263,996 3.729,997 262.744,998 0.316,999 18,1000 134.606,1005 18.764,1006 7.102,1007 3.155,1009 113.624,1010 5.187,1015 1.363,1017 60.694,1018 507.019,1019 40,1024 11.901,1026 9.793,1027 5.091,1028 4.509,1031 51.905,1032 58.192,1034 0.255,1035 0.683,1036 0.875,1037 0.938,1038 0.938,1039 0.938,1040 5.007,1041 1.531,1042 5.974,1043 5.655,1044 4.533,1045 4.984,1046 2.377,1047 6.911,1048 4.49,1049 6.249,1050 1.282,1051 7.616,1052 3.837,1053 4.369,1054 4.879,1055 0.747,1056 8.307,1057 4.313,1058 7.598,1059 1.065,1060 9.376,1061 3.53,1062 6.279,1063 7.142,1064 2.441,1065 11.47,1066 6.2,1067 8.982,1068 0.686,1069 11.215,1070 2.608,1071 6.938,1072 7.806,1073 1.478,1074 13.791,1075 6.84,1076 10.4,1077 0.511,1078 13.111,1079 1.516,1080 8.392,1081 9.574,1082 2.718,1083 16.623,1084 8.278,1085 11.842,1086 0.127,1087 15.051,1088 0.859,1089 9.424,1090 10.603,1091 2.2,1092 19.252,1093 9.29,1094 13.306,1095 -0.092,1096 17.026,1097 0.358,1098 10.744,1099 12.169,1100 3.132,1101 22.018,1102 10.596,1103 3.699,1104 -0.169,1105 19.027,1106 -0.163,1107 11.936,1108 13.383,1109 2.913,1110 24.733,1111 11.771,1112 2.865,1113 15.6,1114 21.05,1115 -0.322,1116 13.227,1117 14.861,1118 3.636,1119 27.484,1120 13.049,1121 2.653,1122 8.759,1123 23.088,1124 4.175,1125 14.484,1126 16.17,1127 3.616,1128 30.222,1129 14.291,1130 2.481,1131 8.705,1132 25.138,1133 3.902,1134 15.776,1135 17.61,1136 4.201,1137 32.97,1138 15.568,1139 2.207,1140 8.156,1141 27.197,1142 3.354,1143 17.06,1144 18.968,1145 4.309,1146 35.715,1147 16.838,1148 2.133,1149 6.495,1150 29.263,1151 2.987,1152 18.357,1153 20.391,1154 4.805,1155 38.463,1156 18.12,1157 1.996,1158 6,1159 31.334,1160 2.844,1161 19.654,1162 21.775,1163 4.996,1164 41.209,1165 19.401,1166 8254,1167 13455,1168 20.285,1169 34.75,1170 48.284,1171 48.099,1172 50.369,1173 46.43,1174 46.475,1175 58.283,1176 10.842,1177 144.157,1178 45.356,1179 5.828,1180 6.145,1181 7.576,1182 5.723,1183 5.699,1184 7.175,1185 2.527,1186 24.202,1187 5.639,1188 15.315,1189 1.558,1190 1.552,1191 1.625,1192 1.498,1193 1.499,1194 1.88,1195 0.35,1196 4.65,1197 1.463,1198 4.085,1199 4.115,1200 4.034,1201 4.014,1202 7.43,1203 4.015,1204 3.906,1205 3.922,1206 3.859,1207 3.83,1208 6.47,1209 3.833,1210 3.699,1211 3.734,1212 3.633,1213 3.581,1214 4.858,1215 3.587,1216 3.45,1217 3.515,1218 3.313,1219 3.339,1220 4.703,1221 3.323,1222 3.351,1223 3.404,1224 3.254,1225 3.161,1226 4.474,1227 3.176,1228 3.242,1229 3.312,1230 3.077,1231 3.09,1232 4.365,1233 3.079,1234 3.207,1235 3.275,1236 3.038,1237 2.956,1238 4.193,1239 2.964,1240 2.999,1241 3.046,1242 2.899,1243 2.835,1244 4.155,1245 2.839,1246 0.157,1247 0.134,1248 0.26,1249 0.151,1250 0.119,1251 4.862,1252 0.135,1253 4.145,1254 0.045,1255 8.052,1256 0.503,1257 4.683,1258 0.117,1259 3.699,1260 4.175,1261 1.398,1262 15.6,1263 3.639,1264 2.044,1265 2.018,1266 2.147,1267 2.134,1268 1.472,1269 2.139,1270 1.88,1271 1.864,1272 1.972,1273 1.982,1274 1.07,1275 1.977,1276 1.666,1277 1.633,1278 1.811,1279 1.819,1280 0.949,1281 1.816,1282 1.476,1283 1.417,1284 1.751,1285 1.643,1286 0.841,1287 1.684,1288 1.293,1289 1.238,1290 1.578,1291 1.544,1292 0.792,1293 1.551,1294 1.245,1295 1.182,1296 1.558,1297 1.457,1298 0.581,1299 1.494,1300 1.171,1301 1.098,1302 1.448,1303 1.432,1304 0.568,1305 1.441,1306 0.966,1307 0.917,1308 1.257,1309 1.201,1310 0.304,1311 1.223,1312 4.143,1314 5.509,1316 7.098,1318 8.803,1320 10.575,1322 5.728,1327 9.844,1328 1.556,1329 3.026,1330 5.214,1332 0.232,1334 -0.527,1340 32.982,1341 75.587,1342 202.365,1343 259.403,1344 278.158,1345 278.158,1346 278.158,1347 52.298,1348 7.76,1349 74.68,1350 74.68,1351 24,1352 12.947,1353 3.7,1354 3.322,1355 42.122,1356 90,1357 106,1358 0.222,1359 201.051,1360 370.73,1361 482.326,1362 23041,1364 19.889,1365 0.71,1366 0.583,1367 19.889,1368 16.321,1369 13.463,1370 0.434,1371 0.305,1372 9.351,1373 13.047,1374 9.003,1375 7.493,1376 13.463,1377 9.455,1378 12.437,1379 0.27,1380 0.163,1381 12.437,1382 7.509,1383 10.783,1384 0.166,1385 0.088,1386 10.783,1387 5.716,1388 9.655,1389 0.105,1390 0.05,1391 9.655,1392 4.612,1393 8.059,1394 0.065,1395 0.027,1396 8.059,1397 3.357,1398 0.335,1399 83.881,1400 0.222,1401 25.96,1402 0.65,1403 154,1404 411.599,1405 165.304,1406 399.747,1407 549.45,1408 374,1409 188,1410 404.93,1411 199.251,1412 414.99,1413 611.33,1414 389,1415 7.796}
{0 CHEMBL604715,1 1.309,2 16.743,3 6.284,4 39.486,5 147.006,6 6.601,7 0.474,8 4.315,9 4.441,10 3.785,11 3.888,12 5.31,13 3.832,14 4.872,15 5.069,16 4.097,17 4.269,18 5.784,19 4.191,20 5.104,21 5.315,22 4.148,23 4.418,24 6.007,25 4.302,26 5.231,27 5.486,28 4.059,29 4.42,30 6.068,31 4.268,32 5.208,33 5.469,34 4.013,35 4.367,36 6.055,37 4.217,38 5.148,39 5.418,40 3.961,41 4.322,42 6.003,43 4.169,44 4.967,45 5.206,46 3.913,47 4.267,48 5.822,49 4.125,50 4.937,51 5.168,52 3.852,53 4.221,54 5.81,55 4.072,56 0.064,57 0.947,58 16.154,59 7.051,60 9.923,61 9.703,62 0.238,63 1.583,64 29.46,65 11.196,66 23.396,67 15.834,68 0.327,69 1.906,70 37.334,71 14.797,72 34.446,73 20.675,74 0.31,75 2.067,76 42.799,77 16.964,78 46.644,79 23.904,80 0.351,81 1.982,82 42.182,83 16.372,84 51.836,85 22.937,86 0.437,87 1.859,88 39.779,89 15.632,90 58.099,91 21.994,92 0.197,93 1.63,94 32.275,95 13.61,96 31.774,97 19.113,98 0.181,99 1.59,100 31.268,101 13.076,102 32.94,103 18.381,104 25,105 51,106 0.204,107 0.492,108 0.704,109 0.793,110 0.818,111 0.823,112 3.588,113 0.995,114 -5.96,115 -5.81,116 -5.41,121 43.7,122 2,123 1,126 1,127 6,137 1,138 1,144 12,145 5,146 1,159 1,176 20,180 8,187 24,191 1,192 10,200 18,206 9,214 13,219 9,227 14,231 1,232 6,239 18,244 5,251 22,256 4,264 17,268 2,269 5,277 12,281 2608,282 23.98,283 23.98,284 23.98,285 23.98,286 23.98,287 21.545,288 29.774,289 14.333,290 24.382,291 18.66,292 18.66,293 18.66,294 18.66,295 18.66,296 14.939,297 40.81,298 6.721,299 19.193,300 4.841,301 2.995,302 1.638,303 1.067,304 0.905,305 0.877,306 4.284,312 1,313 1248,314 4.243,317 91.223,318 378.574,321 170.177,325 2.936,326 21.255,329 0.75,330 0.5,331 0.83,332 1,333 0.5,334 0.83,335 0.5,336 0.7,337 73,338 586,339 4.527,340 3.703,341 6.694,342 4.199,343 3.188,344 4.132,345 0.995,346 10.795,347 3.223,348 4.088,349 3.042,350 5.694,351 3.712,352 2.732,353 3.694,354 0.86,355 7.854,356 2.686,357 3.931,358 2.948,359 5.58,360 3.574,361 2.592,362 3.455,363 0.8,364 7.593,365 2.548,366 3.849,367 2.771,368 5.411,369 3.454,370 2.496,371 3.285,372 0.68,373 7.131,374 2.406,375 3.58,376 2.721,377 5.286,378 3.349,379 2.414,380 2.877,381 0.359,382 6.713,383 2.242,384 3.438,385 2.543,386 5.244,387 3.235,388 2.261,389 2.48,391 6.604,392 2.192,393 3.265,394 2.432,395 5.067,396 2.908,397 1.949,398 2.419,400 5.825,401 1.86,402 3.105,403 2.141,404 4.75,405 2.78,406 1.794,407 2.241,409 5.009,410 1.758,411 3.016,412 1.928,413 4.606,414 2.672,415 1.666,416 2.155,418 4.849,419 1.671,420 2.775,421 1.516,422 3.593,423 2.377,424 1.387,425 1.853,427 2.993,428 1.371,429 2.5,430 1.489,431 3.566,432 2.125,433 1.19,434 1.5,436 2.558,437 1.102,438 2.5,439 1.373,440 3.431,441 2,442 1,443 1.5,445 2.275,446 1,447 2.49,448 1,449 3.414,450 2,451 1,452 1.369,454 2.136,455 1,456 2.22,457 1,458 3.247,459 1.884,460 0.856,461 1.154,463 2.099,464 0.873,465 1.618,466 0.744,467 3.047,468 1.591,469 0.618,470 0.618,472 0.791,473 0.6,474 16.967,475 0.485,476 0.708,477 0.02,478 42.75,479 1.221,480 21.5,481 0.614,482 21.25,483 0.607,484 32.041,485 0.915,486 37.633,487 0.53,488 33.401,489 0.954,490 8.614,491 0.246,492 8.437,493 0.241,494 0.108,496 0.283,501 0.764,502 1.3,503 0.903,504 1.135,505 0.636,506 1.046,507 1.269,508 0.946,509 0.993,510 0.889,511 0.697,512 0.897,513 1.152,514 1.088,515 1.095,516 1.092,517 0.891,518 1.086,519 1.042,520 1.051,521 0.998,522 1.046,523 1.164,524 1.024,525 1.265,526 0.958,527 0.982,528 0.96,529 1.044,530 0.951,531 1.047,532 0.817,533 0.893,534 0.831,535 0.932,536 0.85,537 0.75,538 1.001,539 0.961,540 1.019,541 0.936,542 1.012,543 0.784,544 1.181,545 1.075,546 1.187,547 1.045,548 1.162,549 7,550 0.228,551 2.889,552 2.514,553 1.347,554 1.105,555 0.732,556 0.349,557 0.387,558 0.284,559 21411,560 43942,561 2.075,562 50.7,563 2,564 28,569 6,572 1.761,573 1.963,574 3.994,575 -0.879,582 92.935,583 1.309,584 3.154,585 4.512,586 5.083,587 5.245,588 5.273,589 3.49,590 4.651,591 5.093,592 4.207,593 2503.11,594 8.911,595 42808.2,600 436.632,601 1.316,602 5.07,603 0.184,604 0.007,605 0.057,606 0.049,607 0.03,608 0.026,609 0.017,610 0.009,611 0.01,612 0.009,613 0.398,614 0.33,615 0.63,616 1.326,617 195.648,618 0.042,619 -0.146,620 0.063,621 -0.052,622 -0.022,623 -0.004,624 -0.116,625 0.178,626 0.014,627 0.106,628 0.006,629 0.083,630 -0.019,631 -0.039,632 -0.099,633 -0.088,634 0.021,635 -0.097,636 -0.014,637 -0.076,638 -0.011,639 -0.059,640 -0.013,641 -0.038,642 -0.048,643 0.002,644 0.022,645 0.017,646 -0.006,647 0.024,648 0.076,649 0.131,650 0.103,651 0.15,652 0.11,653 0.132,654 -0.016,655 -0.006,657 0.001,658 -0.022,659 0.002,660 -0.014,661 -0.176,662 -0.112,663 -0.169,664 -0.095,665 -0.152,666 1.54,667 5.957,668 0.6,669 55.502,670 0.984,671 1.119,672 4.73,673 22.377,674 0.66,675 3.664,676 3.951,677 4.19,678 4.419,679 4.605,680 4.663,681 4.836,682 4.963,683 5.03,684 5.17,685 9.604,686 0.612,687 468.69,688 3.664,689 5.187,690 6.019,691 6.876,692 7.724,693 8.59,694 9.447,695 10.319,696 11.184,697 12.062,698 2.8,701 2,715 12,720 6,722 18,727 1,739 1,741 71,743 20,744 3,745 38,747 74,748 31,749 18,750 6,751 12,752 3,756 4,757 5,763 2,767 1,770 1,772 21,773 10,777 2,782 1,784 1,786 2,793 36,794 4,796 4,802 2,808 0.75,809 2,828 1,829 3,832 1,849 1,850 1,855 2,859 3,864 3,868 35,876 7,878 1,881 2,893 2.8,896 1,898 1,901 17.833,902 13.567,903 7.917,904 4.582,907 3.862,908 1.474,909 0.974,910 8.653,911 12.015,912 3.912,913 4.449,914 4.978,915 5.499,916 6.02,917 6.207,918 6.598,919 6.979,920 7.291,921 7.688,922 1,923 51,924 12.99,926 5.35,927 0.026,929 7.51,931 25.553,933 20.754,936 2.01,937 70.333,941 423.76,942 196.384,943 6.249,945 36.145,948 196.384,949 459.904,950 6.249,951 26.047,952 17.655,953 123.191,954 30.278,955 41.605,957 423.76,959 423.76,960 202.632,961 36.145,964 353.133,965 106.771,968 41.554,969 151.602,970 9.476,972 423.76,973 42.393,974 196.384,977 423.76,978 47.146,979 155.487,981 36.145,982 423.76,983 42.393,984 196.384,986 0.569,987 0.33,988 0.172,989 0.088,990 22,991 10,992 0.149,993 11,994 1,995 1.095,996 4.782,997 307.737,998 0.095,999 21,1000 165.525,1005 25.066,1006 12.082,1007 6.764,1009 42.393,1010 24.906,1015 6.332,1018 662.537,1019 49,1024 12.957,1026 2.028,1028 0.968,1031 69.879,1032 79.474,1034 0.213,1035 0.513,1036 0.734,1037 0.826,1038 0.853,1039 0.857,1040 5.133,1041 1.794,1042 5.979,1043 5.825,1044 4.635,1045 5.136,1046 1.858,1047 6.737,1048 4.591,1049 6.308,1050 1.666,1051 7.503,1052 5.009,1053 4.111,1054 4.771,1055 0.57,1056 7.513,1057 4.056,1058 7.588,1059 1.387,1060 9.122,1061 4.849,1062 6.18,1063 7.233,1064 1.49,1065 10.589,1066 6.108,1067 8.901,1068 1.19,1069 10.797,1070 2.993,1071 6.479,1072 7.674,1073 0.674,1074 12.219,1075 6.417,1076 10.247,1077 1,1078 12.51,1079 2.558,1080 7.989,1081 9.607,1082 1.248,1083 14.816,1084 7.916,1085 11.615,1086 1,1087 14.251,1088 2.275,1089 8.691,1090 10.453,1091 0.694,1092 16.851,1093 8.644,1094 13.002,1095 0.856,1096 16.014,1097 2.136,1098 9.967,1099 12.137,1100 1.08,1101 19.292,1102 9.918,1103 3.188,1104 0.618,1105 17.795,1106 2.099,1107 10.881,1108 13.21,1109 0.692,1110 21.52,1111 10.863,1112 2.732,1113 10.795,1114 19.592,1115 0.791,1116 12.06,1117 14.763,1118 0.96,1119 23.913,1120 12.05,1121 2.592,1122 7.854,1123 21.404,1124 4.132,1125 13.084,1126 15.97,1127 0.684,1128 26.227,1129 13.104,1130 2.496,1131 7.593,1132 23.227,1133 3.694,1134 14.228,1135 17.451,1136 0.874,1137 28.607,1138 14.263,1139 2.414,1140 7.131,1141 25.062,1142 3.455,1143 15.311,1144 18.739,1145 0.674,1146 30.957,1147 15.371,1148 2.261,1149 6.713,1150 26.907,1151 3.285,1152 16.447,1153 20.181,1154 0.81,1155 33.335,1156 16.524,1157 1.949,1158 6.604,1159 28.761,1160 2.877,1161 17.56,1162 21.517,1163 0.666,1164 35.701,1165 17.66,1166 20514,1167 29566,1168 25.542,1169 46.864,1170 55.678,1171 56.66,1172 57.102,1173 55.185,1174 55.187,1175 70.492,1176 7.387,1177 152.497,1178 53.934,1179 5.433,1180 5.703,1181 6.496,1182 5.264,1183 5.188,1184 7.132,1185 1.855,1186 17.878,1187 5.223,1188 16.737,1189 1.465,1190 1.491,1191 1.503,1192 1.452,1193 1.452,1194 1.855,1195 0.194,1196 4.013,1197 1.419,1198 4.067,1199 4.086,1200 4.02,1201 4.008,1202 7.427,1203 4.008,1204 3.938,1205 3.971,1206 3.87,1207 3.869,1208 4.845,1209 3.865,1210 3.877,1211 3.905,1212 3.81,1213 3.826,1214 4.765,1215 3.819,1216 3.746,1217 3.822,1218 3.612,1219 3.544,1220 4.726,1221 3.549,1222 3.556,1223 3.614,1224 3.463,1225 3.424,1226 4.386,1227 3.426,1228 3.454,1229 3.504,1230 3.336,1231 3.268,1232 4.249,1233 3.274,1234 3.306,1235 3.407,1236 3.101,1237 3.123,1238 4.19,1239 3.095,1240 3.285,1241 3.357,1242 3.04,1243 3.11,1244 4.012,1245 3.089,1246 0.119,1247 0.097,1248 0.176,1249 0.111,1250 0.084,1251 4.527,1252 0.109,1253 3.703,1254 0.026,1255 6.694,1256 0.284,1257 4.199,1258 0.085,1259 3.188,1260 4.132,1261 0.995,1262 10.795,1263 3.223,1264 1.956,1265 1.93,1266 2.073,1267 2.047,1268 1.241,1269 2.058,1270 1.902,1271 1.874,1272 2.026,1273 1.988,1274 1.209,1275 1.996,1276 1.888,1277 1.873,1278 1.987,1279 1.978,1280 1.162,1281 1.988,1282 1.696,1283 1.619,1284 1.941,1285 1.913,1286 1.123,1287 1.926,1288 1.594,1289 1.562,1290 1.766,1291 1.751,1292 0.941,1293 1.759,1294 1.43,1295 1.36,1296 1.725,1297 1.624,1298 0.886,1299 1.638,1300 1.351,1301 1.265,1302 1.661,1303 1.584,1304 0.869,1305 1.635,1306 1.333,1307 1.256,1308 1.647,1309 1.573,1310 0.8,1311 1.601,1312 4.344,1314 5.638,1315 2.398,1316 7.119,1317 4.844,1318 8.681,1319 7.018,1320 10.287,1322 6.464,1328 6.072,1330 5.96,1333 4.645,1340 43.428,1341 92.935,1342 223.955,1343 320.328,1344 360.858,1345 372.367,1346 374.367,1347 62.153,1348 8.153,1349 32.78,1350 32.78,1351 23,1352 12.603,1353 4.392,1354 3.585,1355 59.98,1356 200,1357 194,1358 0.142,1359 267.939,1360 473.26,1361 645.532,1362 46936,1364 24.623,1365 0.704,1366 0.605,1367 24.623,1368 21.166,1369 17.05,1370 0.449,1371 0.332,1372 12.486,1373 16.622,1374 12.045,1375 10.072,1376 17.05,1377 12.601,1378 14.774,1379 0.29,1380 0.182,1381 14.774,1382 9.269,1383 12.352,1384 0.19,1385 0.102,1386 12.352,1387 6.633,1388 10.054,1389 0.123,1390 0.056,1391 10.054,1392 4.618,1393 7.734,1394 0.078,1395 0.029,1396 7.734,1397 2.846,1398 0.235,1399 105.097,1400 0.198,1401 33.349,1402 0.362,1403 178,1404 428.761,1405 187.477,1406 421.811,1407 582.17,1408 398,1409 205,1410 422.964,1411 215.366,1412 437.212,1413 634.48,1414 410,1415 5.538}
{0 CHEMBL605303,1 1.436,2 10.172,3 3.619,4 13.099,5 118.459,6 7.1,7 0.188,8 4.093,9 4.205,10 3.617,11 3.66,12 5.173,13 3.627,14 4.64,15 4.805,16 4.016,17 4.076,18 5.68,19 4.027,20 4.925,21 5.103,22 4.181,23 4.284,24 5.986,25 4.222,26 5.046,27 5.253,28 4.164,29 4.351,30 6.009,31 4.258,32 5.135,33 5.369,34 4.054,35 4.375,36 6.068,37 4.245,38 5.112,39 5.366,40 3.965,41 4.308,42 6.057,43 4.158,44 4.993,45 5.25,46 3.861,47 4.174,48 5.912,49 4.037,50 4.884,51 5.131,52 3.8,53 4.024,54 5.845,55 3.909,56 0.04,57 0.746,58 11.806,59 5.4,60 10.354,61 6.991,62 0.155,63 1.242,64 21.826,65 9.15,66 24.212,67 12.254,68 0.348,69 1.625,70 29.992,71 11.605,72 49.1,73 15.6,74 0.27,75 1.843,76 34.182,77 13.229,78 45.207,79 18.326,80 0.401,81 1.962,82 38.406,83 14.419,84 59.824,85 20.304,86 0.371,87 1.828,88 38.132,89 15.123,90 65.242,91 21.314,92 0.274,93 1.634,94 33.973,95 12.888,96 50.654,97 18.222,98 0.25,99 1.411,100 30.725,101 11.491,102 45.171,103 15.83,104 31,105 47,106 0.237,107 0.639,108 0.836,109 0.892,110 0.892,111 0.892,112 3.409,113 0.941,114 -4.48,115 -4.41,116 -4.15,121 43.6,122 3,123 2,124 1,127 1,132 1,137 4,138 3,140 1,144 3,145 1,146 2,157 1,160 1,176 13,180 7,183 1,185 4,187 16,192 9,195 1,197 4,200 15,206 9,209 1,211 4,214 20,218 1,219 1,224 3,227 20,231 1,232 3,235 1,237 3,239 21,244 6,249 2,251 14,256 7,261 4,264 5,269 7,272 1,274 4,277 3,281 1414,282 19.582,283 19.582,284 19.582,285 19.582,286 19.582,287 17.499,288 25.693,289 11.294,290 19.902,291 15.677,292 15.677,293 15.677,294 15.677,295 15.677,296 12.578,297 31.296,298 5.145,299 16.122,300 4.346,301 1.905,302 0.709,303 0.368,304 0.368,305 0.368,306 4.103,311 1,312 1,313 635,314 3.536,318 279.474,320 85.229,322 109.957,324 130.25,325 1.225,326 28.465,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 62,338 295,339 4.862,340 4.145,341 8.052,342 4.683,343 3.699,344 4.175,345 1.398,346 15.6,347 3.639,348 4.251,349 3.481,350 6.179,351 3.828,352 2.871,353 3.903,354 1.081,355 8.813,356 2.748,357 4.026,358 3.146,359 6.077,360 3.639,361 2.653,362 3.354,363 0.86,364 8.705,365 2.611,366 3.725,367 2.923,368 5.873,369 3.469,370 2.481,371 2.988,372 0.717,373 8.157,374 2.447,375 3.576,376 2.735,377 5.224,378 3.185,379 2.212,380 2.845,381 0.68,382 6.512,383 2.145,384 3.484,385 2.567,386 5.112,387 3.135,388 2.133,389 2.67,390 0.473,391 6,392 2.133,393 3.4,394 2.398,395 4.953,396 3.015,397 1.997,398 2.488,399 0.212,400 5.655,401 2.022,402 2.911,403 2.091,404 4.322,405 2.524,406 1.607,407 2.046,409 3.988,410 1.466,411 2.739,412 1.547,413 4.245,414 2.259,415 1.282,416 1.644,418 3.53,419 1.249,420 2.506,421 1.481,422 4.083,423 2.047,424 1.065,425 1.353,427 2.609,428 1.044,429 2.223,430 1.268,431 3.484,432 1.939,433 1,434 1.127,436 1.793,437 0.929,438 2.157,439 1.178,440 3.243,441 1.633,442 0.678,443 0.945,445 1.503,446 0.645,447 1.527,448 0.762,449 3.183,450 1.132,451 0.13,452 0.156,454 0.359,455 0.129,456 1.338,457 0.474,458 2.956,459 1.014,460 0.086,461 0.101,463 0.171,464 0.079,465 1.053,466 0.441,467 2.73,468 0.856,469 -0.148,470 -0.16,472 -0.257,473 -0.148,474 13.8,475 0.476,476 0.795,477 0.027,478 33,479 1.138,480 15,481 0.517,482 18,483 0.621,484 29.88,485 1.03,486 31.2,487 0.567,488 26.205,489 0.904,490 6.404,491 0.221,492 7.559,493 0.261,494 0.157,495 0.036,496 0.326,501 0.818,502 1.154,503 0.838,504 1.041,505 0.762,506 0.956,507 0.766,508 1.094,509 0.788,510 0.978,511 0.559,512 0.901,513 1.028,514 1.12,515 0.982,516 0.999,517 0.863,518 0.982,519 0.838,520 1.159,521 1.013,522 1.077,523 0.729,524 1.065,525 0.843,526 1.024,527 1.129,528 1.049,529 0.814,530 1.105,531 0.583,532 0.988,533 0.93,534 1.027,535 0.767,536 1.032,537 0.748,538 0.945,539 0.942,540 0.98,541 0.806,542 0.98,543 0.991,544 0.975,545 0.916,546 1.012,547 0.913,548 0.961,549 7.5,550 0.169,551 4.222,552 2.813,553 2.444,554 1.382,555 0.713,556 0.54,557 0.414,558 0.335,559 9432,560 23693,561 2.061,562 47.3,563 7,564 9,566 1,567 2,569 7,572 1.726,573 1.902,574 3.243,575 0.16,577 1,582 78.969,583 1.436,584 3.877,585 5.072,586 5.413,587 5.413,588 5.413,589 2.582,590 4.513,591 4.828,592 3.414,593 1386.26,594 8.447,595 17974.8,597 1,599 1,600 317.975,601 1.636,602 4.769,603 0.234,604 0.008,605 0.09,606 0.052,607 0.047,608 0.031,609 0.017,610 0.015,611 0.012,612 0.012,613 0.518,614 0.17,615 1,616 1.038,617 144.072,618 -0.049,619 -0.012,620 0.038,621 0.032,622 -0.088,623 0.045,624 0.057,625 -0.012,626 0.131,627 0.056,628 0.081,629 0.093,630 -0.015,631 -0.045,632 -0.031,633 0.002,634 -0.002,635 -0.014,636 -0.049,637 -0.094,638 -0.073,639 -0.087,640 -0.026,641 -0.085,642 -0.081,643 0.017,644 -0.178,645 -0.073,646 -0.082,647 -0.125,648 0.086,649 -0.032,650 0.022,651 -0.026,652 0.037,653 -0.017,654 -0.016,655 0.034,656 0.021,657 0.002,658 -0.024,659 0.019,660 -0.005,661 -0.028,662 0.077,663 -0.033,664 -0.001,665 0.027,666 1.778,667 4.93,668 0.655,669 24.233,670 0.996,671 1.12,672 3.249,673 10.558,674 0.664,675 3.497,676 3.871,677 4.205,678 4.554,679 4.852,680 5.011,681 5.13,682 5.288,683 5.347,684 5.403,685 5.953,686 0.627,687 390.52,688 3.497,689 5.069,690 5.953,691 6.878,692 7.789,693 8.725,694 9.647,695 10.589,696 11.517,697 12.464,698 3.6,705 1,707 1,715 3,720 3,722 6,725 1,738 1,739 1,741 55,743 12,744 1,745 32,747 58,748 24,749 6,750 3,751 3,752 6,756 4,757 7,763 3,767 2,768 2,770 2,772 16,773 8,774 2,777 6,782 1,784 5,785 1,786 5,790 1,793 26,794 5,795 2,796 5,802 2,808 0.5,809 3,829 4,831 1,833 1,835 1,843 1,849 5,850 3,859 2,864 3,868 29,875 1,876 3,877 1,878 1,880 1,882 1,893 5.5,895 1,896 1,898 1,901 15.25,902 10.733,903 6.417,904 3.5,907 2.631,908 1.336,909 0.949,910 5.222,911 10.462,912 3.738,913 4.311,914 4.862,915 5.407,916 5.947,917 6.25,918 6.571,919 6.927,920 7.279,921 7.588,922 0.857,923 54,924 10.765,926 4.656,927 0.026,929 7.721,931 20.715,933 17.49,936 2.221,937 64.417,939 1,940 1,941 282.506,942 136.965,943 34.796,945 78.828,948 136.965,949 361.335,950 34.796,951 26.476,952 27.672,953 66.334,954 96.108,955 45.771,957 270.735,959 282.506,960 171.762,961 78.828,964 200.109,965 161.226,968 70.933,969 51.119,970 49.709,972 282.506,973 113.624,974 136.965,977 282.506,978 35.109,979 101.857,980 18.011,981 95.614,982 282.506,983 113.624,984 136.965,986 0.584,987 0.356,988 0.21,989 0.123,990 24,991 11,992 0.069,993 4,994 3,995 1.263,996 3.822,997 273.61,998 0.316,999 18,1000 140.881,1005 19.72,1006 7.68,1007 3.465,1009 113.624,1010 5.253,1015 1.427,1017 60.694,1018 533.096,1019 41,1024 11.93,1026 9.825,1027 5.116,1028 4.521,1031 54.789,1032 61.607,1034 0.248,1035 0.671,1036 0.877,1037 0.936,1038 0.936,1039 0.936,1040 5.027,1041 1.607,1042 5.989,1043 5.655,1044 4.554,1045 4.997,1046 2.377,1047 6.921,1048 4.507,1049 6.262,1050 1.282,1051 7.626,1052 3.988,1053 4.369,1054 4.879,1055 0.747,1056 8.307,1057 4.313,1058 7.608,1059 1.065,1060 9.383,1061 3.53,1062 6.29,1063 7.147,1064 2.441,1065 11.474,1066 6.206,1067 8.988,1068 1,1069 11.219,1070 2.609,1071 6.938,1072 7.806,1073 1.478,1074 13.792,1075 6.84,1076 10.404,1077 0.678,1078 13.114,1079 1.793,1080 8.398,1081 9.576,1082 2.718,1083 16.625,1084 8.281,1085 11.846,1086 0.13,1087 15.053,1088 1.503,1089 9.425,1090 10.603,1091 2.2,1092 19.253,1093 9.291,1094 13.309,1095 0.086,1096 17.027,1097 0.359,1098 10.747,1099 12.17,1100 3.132,1101 22.018,1102 10.598,1103 3.699,1104 -0.148,1105 19.028,1106 0.171,1107 11.937,1108 13.385,1109 2.913,1110 24.733,1111 11.772,1112 2.871,1113 15.6,1114 21.05,1115 -0.257,1116 13.229,1117 14.862,1118 3.636,1119 27.484,1120 13.049,1121 2.653,1122 8.813,1123 23.088,1124 4.175,1125 14.486,1126 16.172,1127 3.616,1128 30.222,1129 14.291,1130 2.481,1131 8.705,1132 25.138,1133 3.903,1134 15.777,1135 17.611,1136 4.201,1137 32.97,1138 15.568,1139 2.212,1140 8.157,1141 27.197,1142 3.354,1143 17.061,1144 18.969,1145 4.309,1146 35.715,1147 16.838,1148 2.133,1149 6.512,1150 29.263,1151 2.988,1152 18.358,1153 20.392,1154 4.805,1155 38.463,1156 18.12,1157 1.997,1158 6,1159 31.334,1160 2.845,1161 19.654,1162 21.776,1163 4.996,1164 41.209,1165 19.401,1166 9174,1167 14640,1168 20.978,1169 36.512,1170 49.575,1171 49.539,1172 51.723,1173 47.707,1174 47.788,1175 59.592,1176 10.842,1177 146.788,1178 46.574,1179 5.828,1180 6.145,1181 7.815,1182 5.723,1183 5.699,1184 7.175,1185 2.527,1186 24.202,1187 5.639,1188 15.752,1189 1.549,1190 1.548,1191 1.616,1192 1.491,1193 1.493,1194 1.862,1195 0.339,1196 4.587,1197 1.455,1198 4.086,1199 4.115,1200 4.034,1201 4.015,1202 7.43,1203 4.015,1204 3.909,1205 3.925,1206 3.861,1207 3.831,1208 6.47,1209 3.835,1210 3.699,1211 3.734,1212 3.633,1213 3.581,1214 4.853,1215 3.587,1216 3.478,1217 3.546,1218 3.33,1219 3.339,1220 4.689,1221 3.323,1222 3.448,1223 3.514,1224 3.29,1225 3.27,1226 4.463,1227 3.265,1228 3.306,1229 3.367,1230 3.19,1231 3.143,1232 4.364,1233 3.145,1234 3.235,1235 3.303,1236 3.076,1237 3.081,1238 4.195,1239 3.073,1240 3.005,1241 3.05,1242 2.912,1243 2.844,1244 4.158,1245 2.851,1246 0.152,1247 0.13,1248 0.252,1249 0.146,1250 0.116,1251 4.862,1252 0.13,1253 4.145,1254 0.044,1255 8.052,1256 0.487,1257 4.683,1258 0.114,1259 3.699,1260 4.175,1261 1.398,1262 15.6,1263 3.639,1264 2.044,1265 2.018,1266 2.147,1267 2.134,1268 1.472,1269 2.139,1270 1.881,1271 1.865,1272 1.975,1273 1.986,1274 1.078,1275 1.981,1276 1.666,1277 1.633,1278 1.811,1279 1.819,1280 0.949,1281 1.816,1282 1.477,1283 1.417,1284 1.787,1285 1.701,1286 0.925,1287 1.731,1288 1.462,1289 1.39,1290 1.751,1291 1.642,1292 0.84,1293 1.684,1294 1.282,1295 1.22,1296 1.558,1297 1.472,1298 0.792,1299 1.497,1300 1.226,1301 1.167,1302 1.451,1303 1.445,1304 0.573,1305 1.454,1306 0.969,1307 0.922,1308 1.258,1309 1.204,1310 0.305,1311 1.226,1312 4.174,1314 5.533,1316 7.114,1318 8.815,1320 10.584,1322 6.091,1327 9.975,1328 2.037,1329 3.033,1330 5.506,1332 0.232,1334 -0.528,1340 34.509,1341 78.969,1342 213.22,1343 278.955,1344 297.71,1345 297.71,1346 297.71,1347 55.574,1348 7.831,1349 74.68,1350 74.68,1351 24,1352 12.959,1353 3.7,1354 3.322,1355 44.429,1356 98,1357 126,1358 0.215,1359 210.644,1360 388.03,1361 505.731,1362 25433,1364 20.596,1365 0.71,1366 0.587,1367 20.596,1368 17.028,1369 13.963,1370 0.436,1371 0.314,1372 9.947,1373 13.553,1374 9.599,1375 7.974,1376 13.963,1377 10.042,1378 12.817,1379 0.273,1380 0.165,1381 12.817,1382 7.738,1383 10.918,1384 0.165,1385 0.088,1386 10.918,1387 5.796,1388 9.859,1389 0.105,1390 0.05,1391 9.859,1392 4.719,1393 8.358,1394 0.066,1395 0.027,1396 8.358,1397 3.442,1398 0.328,1399 86.674,1400 0.218,1401 26.83,1402 0.624,1403 158,1404 415.599,1405 169.969,1406 403.355,1407 556.93,1408 378,1409 192,1410 413.84,1411 203.583,1412 420.486,1413 622.52,1414 397,1415 7.602}
{0 CHEMBL60569,1 1.607,2 4.25,3 0.876,4 0.768,5 43.591,6 8.483,7 0.462,8 3.079,9 3.167,10 2.757,11 2.671,12 4.331,13 2.677,14 3.569,15 3.708,16 3.137,17 3.031,18 4.826,19 3.039,20 3.717,21 3.844,22 3.207,23 3.063,24 5.303,25 3.068,26 3.682,27 3.849,28 2.773,29 2.845,30 5.069,31 2.795,32 3.392,33 3.598,34 2.058,35 2.26,36 4.812,37 2.179,38 2.628,39 2.942,40 0.539,41 1.364,42 3.584,43 1.11,44 1.298,45 1.682,46 0.021,47 0.361,48 1.386,49 0.189,56 0.038,57 0.261,58 2.742,59 1.627,60 5.515,61 1.805,62 0.142,63 0.427,64 5.763,65 2.548,66 12.847,67 2.97,68 0.235,69 0.453,70 6.921,71 3.171,72 41.018,73 3.637,74 0.201,75 0.418,76 7.68,77 3.122,78 32.287,79 3.417,80 0.246,81 0.278,82 7.209,83 2.312,84 45.668,85 2.416,86 0.118,87 0.122,88 4.222,89 1.201,90 23.51,91 1.638,92 0.019,93 0.026,94 1.161,95 0.296,96 3.549,97 0.535,104 10,105 19,106 0.346,107 0.657,108 0.748,109 0.838,110 0.861,111 0.861,112 2.604,113 0.838,114 -2.52,115 -2.55,116 -2.49,121 47.4,126 1,144 4,145 1,146 1,159 1,160 1,176 4,179 1,180 3,187 4,191 2,192 4,200 2,206 5,219 3,281 80,282 7.897,283 7.897,284 7.897,285 7.897,286 7.897,287 7.012,288 8.623,289 4.487,290 7.953,291 6.343,292 6.343,293 6.343,294 6.343,295 6.343,296 4.865,297 11.662,298 2.071,299 6.39,300 2.641,301 1.198,302 0.777,303 0.356,304 0.25,305 0.25,306 3.225,312 1,313 105,314 1.581,317 19.414,318 24.19,321 37.044,325 0.625,326 16.708,329 1,330 0.67,331 0.83,332 0.4,334 1,335 1,336 0.7,337 26.5,338 51,339 4.572,340 3.969,341 6.925,342 4.274,343 3.283,344 4.123,345 1.2,346 11.483,347 3.254,348 3.603,349 2.961,350 5.553,351 3.167,352 2.148,353 2.963,354 0.293,355 6.665,356 2.181,357 3.294,358 2.747,359 5.491,360 3.009,361 2.026,362 2.432,364 6.426,365 1.973,366 2.842,367 1.801,368 3.642,369 2.361,370 1.354,371 1.97,373 2.957,374 1.36,375 2.42,376 1.321,377 3.618,378 1.921,379 0.914,380 1.304,382 2.21,383 0.916,384 1.836,385 1.03,386 2.849,387 1.292,388 0.202,389 0.305,391 0.436,392 0.217,393 0.839,394 -0.018,395 2.343,396 0.42,397 -0.585,398 -0.769,400 -1.379,401 -0.581,402 0.581,403 -0.484,404 2,405 0.112,406 -0.888,407 -1.265,409 -2.127,410 -0.887,411 0.206,412 -0.827,413 1.514,414 -0.206,415 -1.287,416 -1.667,418 -3.197,419 -1.318,420 -0.241,421 -1.145,422 1.382,423 -0.486,424 -1.469,425 -2,427 -4.12,428 -1.513,429 -0.5,430 -1.548,431 1.196,432 -0.829,433 -1.813,434 -2.175,436 -5.268,437 -1.749,438 -0.637,439 -1.806,440 1.166,441 -0.934,442 -1.887,443 -2.221,444 -0.4,445 -6.95,446 -1.854,447 -0.815,448 -2,449 0.321,450 -1,451 -2,452 -3,453 -1.093,454 -7.137,455 -2,474 5.567,475 0.464,476 0.371,477 0.031,478 17.25,479 1.438,480 9.5,481 0.792,482 7.75,483 0.646,484 5.622,485 0.468,486 12.433,487 0.654,488 10.216,489 0.851,490 3.586,491 0.299,492 2.129,493 0.177,494 0.21,496 0.431,501 0.556,502 1.27,503 0.62,504 1.01,505 0.505,506 0.868,507 0.638,508 0.907,509 0.649,510 0.759,511 0.577,512 0.699,513 0.663,514 1.09,515 0.76,516 1.093,517 0.707,518 0.984,519 1.252,520 1.168,521 1.316,522 1.279,523 1.2,524 1.309,525 1.892,526 0.897,527 1.609,528 1.053,529 1.962,530 1.225,531 1.248,532 0.524,533 1.24,534 0.651,535 1.353,536 0.898,549 2,551 2,552 1.861,553 0.337,554 0.205,559 708,560 2451,561 1.991,562 36.8,564 7,572 1.467,573 1.8,574 2.22,575 -0.727,582 30.53,583 1.607,584 3.05,585 3.471,586 3.892,587 3.998,588 3.998,589 1.483,590 2.418,591 3.563,592 2.172,593 143.349,594 5.898,595 1014.54,600 80.711,601 1.555,602 3.478,603 0.154,605 0.105,606 0.098,607 0.031,608 0.051,613 0.439,614 1,615 1,616 0.799,617 40.082,618 -0.024,619 -0.222,620 0.039,621 -0.078,622 -0.046,623 -0.024,624 0.043,625 0.177,626 0.144,627 0.156,628 -0.004,629 0.178,630 0.266,631 -0.123,632 0.097,633 -0.159,634 0.227,635 -0.094,636 -0.221,637 -0.26,638 -0.362,639 -0.344,640 -0.132,641 -0.378,642 -0.432,643 -0.07,644 -0.445,645 -0.101,646 -0.39,647 -0.242,648 -0.162,649 0.237,650 0.138,651 0.385,652 -0.218,653 0.343,654 0.473,655 0.734,656 1.641,657 1.136,658 0.392,659 1.581,666 2.115,667 4.216,668 0.75,669 4.611,670 1.021,671 1.114,672 1.291,673 1.667,674 0.695,675 2.639,676 2.996,677 3.332,678 3.555,679 3.638,680 3.401,681 3.258,682 3.091,683 2.303,684 1.099,685 2.85,686 0.686,687 161.17,688 2.639,689 4.174,690 5.056,691 5.953,692 6.853,693 7.756,694 8.659,695 9.563,696 10.466,697 11.371,698 5.3,705 1,715 4,720 2,722 6,727 1,741 19,743 8,744 1,745 13,747 20,748 9,749 6,750 2,751 4,752 2,756 2,757 3,772 8,773 1,777 2,782 2,786 2,793 7,794 3,796 3,802 1,808 0.5,809 2,828 1,829 1,832 1,844 1,859 1,864 1,868 12,881 1,893 10.5,896 2,901 6.667,902 3.867,903 2.639,904 1.071,907 1.52,908 1.28,909 0.975,910 1.354,911 6.954,912 2.944,913 3.512,914 4.123,915 4.594,916 5.031,917 5.022,918 5.188,919 5.225,920 4.744,921 3.841,922 0.667,923 19,924 4.43,925 0.006,926 1.94,927 0.026,929 8.222,931 8.097,932 0.002,933 6.576,934 -0.002,936 2.722,937 32.667,938 0.006,941 82.398,942 62.082,943 3.124,945 50.29,948 62.082,949 132.688,950 3.124,951 8.396,952 3.124,953 37.905,954 60.128,955 5.942,957 82.398,959 82.398,960 65.206,961 50.29,964 82.398,965 50.29,968 3.124,969 62.082,972 82.398,973 53.414,974 62.082,977 82.398,978 15.78,979 49.426,981 50.29,982 82.398,983 53.414,984 62.082,986 0.597,987 0.384,988 0.202,989 0.098,990 11,991 5,994 1,995 1.222,996 2.314,997 73.851,998 0.222,999 9,1000 43.02,1005 7.196,1006 2.258,1007 0.841,1009 53.414,1010 6.988,1015 1.206,1018 197.894,1019 18,1024 22.354,1028 -0.857,1031 19.407,1032 21.163,1034 0.378,1035 0.718,1036 0.817,1037 0.916,1038 0.941,1039 0.941,1040 4.182,1041 -0.888,1042 5.081,1043 -1.379,1044 3.664,1045 4.19,1046 1.356,1047 5.974,1048 3.654,1049 5.404,1050 -1.287,1051 6.708,1052 -2.127,1053 3.434,1054 4.06,1055 0.325,1056 7.05,1057 3.416,1058 6.729,1059 -1.469,1060 8.441,1061 -3.197,1062 5.333,1063 6.353,1064 1.511,1065 10.214,1066 5.304,1067 8.097,1068 -1.813,1069 10.232,1070 -4.12,1071 5.943,1072 7.043,1073 0.653,1074 12.121,1075 5.907,1076 9.501,1077 -1.887,1078 12.058,1079 -5.268,1080 7.37,1081 8.84,1082 1.739,1083 14.818,1084 7.322,1085 10.932,1086 -2,1087 13.907,1088 -6.95,1089 8.336,1090 9.905,1091 1.001,1092 17.054,1093 8.281,1094 12.383,1096 15.774,1097 -7.137,1098 9.603,1099 11.501,1100 1.993,1101 19.59,1102 9.536,1103 3.283,1105 17.653,1107 10.71,1108 12.744,1109 1.37,1110 21.955,1111 10.634,1112 2.148,1113 11.483,1114 19.543,1116 11.923,1117 14.25,1118 2.264,1119 24.431,1120 11.838,1121 2.026,1122 6.665,1123 21.442,1124 4.123,1125 13.082,1126 15.579,1127 1.754,1128 26.844,1129 12.987,1130 1.354,1131 6.426,1132 23.347,1133 2.963,1134 14.279,1135 17.042,1136 2.551,1137 29.299,1138 14.174,1139 0.914,1140 2.957,1141 25.258,1142 2.432,1143 15.457,1144 18.413,1145 2.143,1146 31.729,1147 15.343,1148 0.202,1149 2.21,1150 27.173,1151 1.97,1152 16.648,1153 19.854,1154 2.851,1155 34.175,1156 16.525,1157 -0.585,1158 0.436,1159 29.093,1160 1.304,1161 17.833,1162 21.247,1163 2.535,1164 36.612,1165 17.701,1166 780,1167 1504,1168 8.266,1169 13.199,1170 20.517,1171 22.118,1172 21.228,1173 19.955,1174 19.856,1175 26.194,1176 2.986,1177 60.355,1178 19.802,1179 5.388,1180 5.969,1181 6.604,1182 5.274,1183 5.283,1184 7.123,1185 2.293,1186 18.62,1187 5.254,1188 5.905,1189 1.578,1190 1.701,1191 1.633,1192 1.535,1193 1.527,1194 2.015,1195 0.23,1196 4.643,1197 1.523,1198 4.01,1199 4.031,1200 3.976,1201 3.914,1202 7.497,1203 3.924,1204 3.472,1205 3.51,1206 3.402,1207 3.285,1208 7.352,1209 3.311,1210 3.142,1211 3.199,1212 2.994,1213 2.92,1214 4.717,1215 2.923,1216 2.799,1217 2.875,1218 2.601,1219 2.645,1220 4.037,1221 2.62,1222 2.605,1223 2.613,1224 2.542,1225 2.417,1226 3.616,1227 2.443,1228 2.353,1229 2.347,1230 2.251,1231 1.913,1232 3.425,1233 2.01,1234 1.566,1235 1.731,1236 1.216,1237 1.158,1238 2.488,1239 1.13,1240 1.465,1241 1.672,1242 0.883,1243 1.038,1244 2.03,1245 0.966,1246 0.352,1247 0.305,1248 0.533,1249 0.329,1250 0.253,1251 4.572,1252 0.317,1253 3.969,1254 0.092,1255 6.925,1256 0.883,1257 4.274,1258 0.25,1259 3.283,1260 4.123,1261 1.2,1262 11.483,1263 3.254,1264 1.88,1265 1.857,1266 1.985,1267 1.963,1268 1.088,1269 1.972,1270 1.457,1271 1.428,1272 1.66,1273 1.729,1274 0.706,1275 1.696,1276 1.123,1277 1.071,1278 1.302,1279 1.364,1280 0.292,1281 1.353,1282 0.802,1283 0.739,1284 1.073,1285 0.985,1286 0.146,1287 1.023,1288 0.689,1289 0.633,1290 0.92,1291 0.936,1293 0.935,1296 0.317,1297 0.434,1299 0.358,1302 0.3,1303 0.049,1305 0.145,1312 3.296,1314 4.635,1315 2.398,1316 6.192,1317 4.949,1318 7.838,1319 7.182,1320 9.528,1322 1.603,1333 1.373,1340 13.031,1341 30.53,1342 57.956,1343 65.956,1344 73.956,1345 75.956,1346 75.956,1347 18.263,1348 5.434,1349 39.07,1350 39.07,1351 11,1352 11.89,1353 3.17,1354 2.585,1355 16.905,1356 22,1357 13,1358 0.467,1359 82.465,1360 144.02,1361 192.973,1362 1071,1364 8.715,1365 0.726,1366 0.548,1367 8.715,1368 6.573,1369 5.715,1370 0.44,1371 0.279,1372 3.572,1373 5.489,1374 3.462,1375 2.883,1376 5.715,1377 3.63,1378 5.19,1379 0.273,1380 0.143,1381 5.19,1382 2.71,1383 4.884,1384 0.181,1385 0.074,1386 4.884,1387 2.009,1388 3.752,1389 0.11,1390 0.039,1391 3.752,1392 1.335,1393 2.773,1394 0.075,1395 0.022,1396 2.773,1397 0.799,1398 0.641,1399 36.068,1400 0.348,1401 11.521,1402 1.591,1403 64,1404 225.116,1405 70.733,1406 214.517,1407 284.74,1408 198,1409 78,1410 202.442,1411 85.814,1412 205.155,1413 303.21,1414 192,1415 4}
{0 CHEMBL605824,1 1.476,2 9.154,3 4.609,4 21.238,5 110.366,6 6.973,7 0.429,8 4.031,9 4.164,10 3.592,11 3.608,12 5.024,13 3.532,14 4.586,15 4.788,16 3.983,17 4.002,18 5.518,19 3.895,20 4.86,21 5.091,22 4.114,23 4.19,24 5.736,25 4.064,26 4.962,27 5.191,28 4.067,29 4.249,30 5.874,31 4.104,32 5.076,33 5.338,34 3.972,35 4.203,36 6.029,37 4.045,38 5.037,39 5.354,40 3.695,41 4.041,42 5.847,43 3.861,44 4.685,45 4.936,46 3.579,47 3.837,48 5.634,49 3.682,50 4.6,51 4.848,52 3.474,53 3.737,54 5.546,55 3.607,56 0.051,57 0.774,58 12.729,59 5.23,60 9.314,61 7.12,62 0.276,63 1.278,64 24.166,65 8.756,66 23.928,67 12.016,68 0.328,69 1.631,70 34.501,71 11.183,72 27.077,73 15.22,74 0.248,75 1.708,76 37.46,77 13.545,78 34.367,79 17.939,80 0.433,81 1.797,82 41.148,83 13.846,84 58.326,85 19.309,86 0.386,87 1.625,88 38.979,89 12.755,90 54.753,91 18.226,92 0.221,93 1.212,94 27.35,95 9.585,96 40.666,97 13.036,98 0.386,99 1.114,100 26.343,101 7.645,102 49.596,103 10.531,104 35,105 39,106 0.248,107 0.521,108 0.636,109 0.699,110 0.712,111 0.712,112 3.304,113 1.071,114 -4.5,115 -4.43,116 -4.17,121 39.6,122 4,127 2,129 2,144 8,146 4,161 1,176 6,179 1,180 6,183 2,187 8,192 5,195 1,200 6,206 4,211 2,214 8,218 2,219 5,224 9,227 6,232 2,237 2,239 6,244 10,251 2,256 5,269 2,277 8,281 1052,282 17.311,283 17.311,284 17.311,285 17.311,286 17.311,287 15.727,288 23.402,289 10.247,290 17.757,291 13.801,292 13.801,293 13.801,294 13.801,295 13.801,296 11.424,297 32.434,298 4.782,299 14.553,300 4.252,301 2.624,302 1.944,303 1.566,304 1.491,305 1.491,306 3.984,311 1,312 1,313 501,314 4.183,318 168.051,322 193.985,325 1.308,326 15.913,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 54.5,338 238,339 4.546,340 4.609,341 6.976,342 4.217,343 3.284,344 4.105,345 2.95,346 11.854,347 3.057,348 3.962,349 3.71,350 6.273,351 3.809,352 2.876,353 3.58,354 1.701,355 9.106,356 2.68,357 3.878,358 3.221,359 5.982,360 3.502,361 2.532,362 2.965,363 0.8,364 8.37,365 2.447,366 3.719,367 3.159,368 5.691,369 3.364,370 2.43,371 2.868,372 0.563,373 7.526,374 2.259,375 3.033,376 2.704,377 4.697,378 2.711,379 1.752,380 2.181,381 0.075,382 4.805,383 1.694,384 2.949,385 1.825,386 4.414,387 2.679,388 1.732,389 2.113,391 4,392 1.609,393 2.819,394 1.788,395 4.116,396 2.483,397 1.508,398 1.966,400 3.329,401 1.454,402 2.732,403 1.662,404 3.77,405 2.336,406 1.347,407 1.792,409 3.205,410 1.329,411 2.702,412 1.625,413 3.614,414 2.236,415 1.251,416 1.732,418 2.902,419 1.225,420 2.374,421 1.348,422 3.594,423 2.227,424 1.247,425 1.353,427 2.801,428 1.215,429 1.889,430 0.884,431 3.319,432 1.553,433 0.605,434 0.726,436 1.486,437 0.57,438 1.504,439 0.825,440 2.885,441 1.312,442 0.349,443 0.391,445 0.8,446 0.33,447 1.12,448 0.508,449 2.676,450 0.715,451 -0.198,452 -0.239,454 -0.549,455 -0.177,456 0.909,457 0.49,458 2.404,459 0.491,460 -0.445,461 -0.563,463 -1.091,464 -0.405,465 0.644,466 -0.068,467 2.135,468 0.453,469 -0.549,470 -0.625,472 -1.249,473 -0.542,474 12.867,475 0.495,476 0.686,477 0.026,478 30.75,479 1.183,480 14.5,481 0.558,482 16.25,483 0.625,484 25.818,485 0.993,486 28.533,487 0.538,488 21.407,489 0.823,490 5.711,491 0.22,492 6.775,493 0.261,494 0.181,496 0.334,501 0.797,502 1.366,503 0.837,504 1.046,505 0.649,506 1.034,507 0.738,508 1.067,509 0.828,510 0.872,511 0.496,512 0.893,513 1.307,514 0.903,515 1.044,516 0.874,517 0.865,518 0.851,519 1.137,520 1.135,521 1.08,522 1.106,523 1.097,524 1.033,525 1.167,526 1.076,527 0.91,528 1.022,529 1.395,530 1.023,531 1.272,532 0.688,533 0.709,534 0.626,535 1.3,536 0.699,537 1.422,538 1.156,539 0.995,540 1.057,541 1.648,542 1.058,543 2.642,544 0.774,545 1.194,546 0.757,547 3.016,548 0.865,549 4.5,550 0.198,551 3.111,552 2.438,553 1.72,554 0.611,555 0.503,556 0.193,557 0.317,558 0.337,559 7204,560 15309,561 2.014,562 50.9,564 14,567 1,569 12,572 1.694,573 1.857,574 3.14,575 -0.37,582 78.204,583 1.476,584 3.104,585 3.784,586 4.162,587 4.237,588 4.237,589 2.459,590 3.777,591 4.674,592 3.371,593 1095.57,594 8.116,595 13764.6,597 1,600 303.58,601 1.502,602 4.615,603 0.161,604 0.008,605 0.08,606 0.057,607 0.041,608 0.017,609 0.017,610 0.008,611 0.014,612 0.012,613 0.414,614 0.17,615 1,616 1.827,617 126.162,618 0.016,619 -0.174,620 0.078,621 -0.014,622 -0.065,623 -0.001,624 0.277,625 0.067,626 0.162,627 0.123,628 0.145,629 0.09,630 -0.095,631 0.216,632 0.059,633 0.145,634 -0.022,635 0.112,636 -0.035,637 -0.108,638 -0.031,639 -0.073,640 0.063,641 -0.04,642 0.104,643 -0.121,644 0.004,645 -0.111,646 0.055,647 -0.073,648 -0.056,649 0.203,650 0.146,651 0.21,652 -0.027,653 0.222,654 -0.066,655 -0.199,656 -0.063,657 -0.128,658 -0.017,659 -0.102,660 -0.5,661 0.233,662 -0.192,663 0.136,664 -0.464,665 0.031,666 1.738,667 6.032,668 0.538,669 21.42,670 0.987,671 1.125,672 3.271,673 10.702,674 0.665,675 3.367,676 3.689,677 3.97,678 4.248,679 4.466,680 4.533,681 4.691,682 4.779,683 4.86,684 4.745,685 5.954,686 0.609,687 369.58,688 3.367,689 4.905,690 5.759,691 6.645,692 7.522,693 8.417,694 9.305,695 10.205,696 11.099,697 12.002,698 5.7,701 1,705 2,715 8,720 4,722 12,741 53,743 13,744 2,745 28,747 55,748 21,749 12,750 4,751 8,756 3,757 6,761 1,763 4,770 2,772 13,773 8,777 1,782 1,786 1,790 1,793 27,794 4,795 1,796 5,797 1,802 3,808 0.333,809 1,829 3,833 2,855 1,859 1,860 1,862 1,864 4,868 26,876 2,877 1,879 1,880 2,881 2,893 1.9,896 1,901 14,902 10.567,903 5.778,904 3.404,907 2.471,908 1.34,909 0.954,910 6.149,911 9.746,912 3.584,913 4.111,914 4.62,915 5.175,916 5.717,917 5.909,918 6.333,919 6.725,920 7.013,921 7.103,922 0.833,923 43,924 9.648,926 3.985,927 0.026,929 7.551,931 18.886,933 15.396,936 2.051,937 53.333,939 1,940 1,941 306.049,942 160.433,943 24.259,945 25.145,947 32.22,948 128.213,949 331.194,950 24.259,951 35.301,952 25.346,953 75.81,954 25.145,955 11.739,956 4.276,957 338.268,959 306.049,960 152.472,961 25.145,962 32.22,964 164.795,965 166.398,968 63.772,969 88.701,971 32.22,972 306.049,973 49.404,974 160.433,977 306.049,978 49.322,979 117.359,980 18.011,981 25.145,982 306.049,983 49.404,984 160.433,986 0.58,987 0.344,988 0.192,989 0.097,990 18,991 9,992 0.091,993 5,994 2,995 1.286,996 3.654,997 218.146,998 0.286,999 14,1000 100.211,1001 1,1005 19.122,1006 8.361,1007 4.207,1009 49.404,1010 16.126,1015 4.094,1017 18.011,1018 515.885,1019 35,1024 13.032,1028 -0.072,1031 52.312,1032 59.607,1034 0.258,1035 0.542,1036 0.661,1037 0.727,1038 0.74,1039 0.74,1040 4.828,1041 1.347,1042 5.753,1043 3.329,1044 4.369,1045 4.796,1046 3.211,1047 6.594,1048 4.261,1049 6.008,1050 1.251,1051 7.334,1052 3.205,1053 4.007,1054 4.511,1055 1.404,1056 7.609,1057 3.819,1058 7.299,1059 1.247,1060 9.023,1061 2.902,1062 5.979,1063 6.864,1064 5.101,1065 10.744,1066 5.737,1067 8.625,1068 0.605,1069 10.778,1070 2.801,1071 6.447,1072 7.383,1073 2.498,1074 12.612,1075 6.11,1076 9.986,1077 0.349,1078 12.574,1079 1.486,1080 7.91,1081 9.25,1082 7.206,1083 15.28,1084 7.526,1085 11.373,1086 -0.198,1087 14.398,1088 0.8,1089 8.76,1090 10.167,1091 3.613,1092 17.492,1093 8.279,1094 12.78,1095 -0.445,1096 16.243,1097 -0.549,1098 10.027,1099 11.812,1100 9.354,1101 20.013,1102 9.495,1103 3.284,1104 -0.549,1105 18.102,1106 -1.091,1107 11.05,1108 12.941,1109 4.718,1110 22.371,1111 10.426,1112 2.876,1113 11.854,1114 19.973,1115 -1.249,1116 12.245,1117 14.472,1118 11.513,1119 24.85,1120 11.563,1121 2.532,1122 9.106,1123 21.854,1124 4.105,1125 13.348,1126 15.72,1127 5.808,1128 27.27,1129 12.579,1130 2.43,1131 8.37,1132 23.741,1133 3.58,1134 14.521,1135 17.191,1136 13.676,1137 29.738,1138 13.687,1139 1.752,1140 7.526,1141 25.636,1142 2.965,1143 15.66,1144 18.506,1145 6.887,1146 32.186,1147 14.747,1148 1.732,1149 4.805,1150 27.535,1151 2.868,1152 16.829,1153 19.945,1154 15.839,1155 34.653,1156 15.847,1157 1.508,1158 4,1159 29.44,1160 2.181,1161 17.988,1162 21.298,1163 7.96,1164 37.114,1165 16.928,1166 7176,1167 10708,1168 18.205,1169 35.256,1170 42.213,1171 45.215,1172 43.803,1173 41.886,1174 41.826,1175 51.548,1176 12.18,1177 120.368,1178 39.738,1179 5.501,1180 6.609,1181 6.661,1182 5.381,1183 5.284,1184 7.105,1185 5.9,1186 19.386,1187 5.057,1188 14.608,1189 1.508,1190 1.615,1191 1.564,1192 1.496,1193 1.494,1194 1.841,1195 0.435,1196 4.299,1197 1.419,1198 4.027,1199 4.051,1200 4.149,1201 3.987,1202 7.429,1203 3.962,1204 3.821,1205 3.892,1206 3.702,1207 3.707,1208 4.814,1209 3.698,1210 3.758,1211 3.788,1212 3.686,1213 3.644,1214 4.615,1215 3.645,1216 3.534,1217 3.602,1218 3.466,1219 3.299,1220 4.404,1221 3.316,1222 3.453,1223 3.539,1224 3.276,1225 3.297,1226 4.086,1227 3.271,1228 3.207,1229 3.267,1230 3.23,1231 3.035,1232 4.048,1233 3.022,1234 2.963,1235 3.009,1236 3.061,1237 2.963,1238 3.83,1239 2.892,1240 2.874,1241 3.009,1242 2.722,1243 2.674,1244 3.731,1245 2.66,1246 0.162,1247 0.165,1248 0.249,1249 0.151,1250 0.117,1251 4.546,1252 0.147,1253 4.609,1254 0.105,1255 6.976,1256 0.423,1257 4.217,1258 0.109,1259 3.284,1260 4.105,1261 2.95,1262 11.854,1263 3.057,1264 1.977,1265 1.96,1266 2.032,1267 2.058,1268 1.275,1269 2.063,1270 1.78,1271 1.744,1272 2.007,1273 1.985,1274 1.195,1275 1.998,1276 1.772,1277 1.71,1278 1.902,1279 1.849,1280 0.989,1281 1.869,1282 1.492,1283 1.41,1284 1.82,1285 1.729,1286 0.978,1287 1.742,1288 1.472,1289 1.398,1290 1.738,1291 1.694,1292 0.971,1293 1.733,1294 1.146,1295 1.095,1296 1.417,1297 1.397,1298 0.469,1299 1.38,1300 0.958,1301 0.936,1302 1.417,1303 1.239,1304 0.469,1305 1.308,1306 0.934,1307 0.804,1308 1.305,1309 1.239,1310 0.377,1311 1.308,1312 4.043,1314 5.361,1316 6.889,1318 8.521,1320 10.214,1322 8.763,1328 1.468,1329 3.11,1331 1.71,1332 0.916,1333 4.185,1340 32.288,1341 78.204,1342 164.521,1343 200.56,1344 220.56,1345 224.56,1346 224.56,1347 43.198,1348 7.274,1349 37.27,1350 65.51,1351 18,1352 12.524,1353 3.807,1354 3,1355 44.21,1356 90,1357 82,1358 0.236,1359 205.048,1360 354.8,1361 492.076,1362 13618,1364 18.681,1365 0.719,1366 0.643,1367 19.035,1368 16.715,1369 12.486,1370 0.446,1371 0.357,1372 9.171,1373 11.697,1374 8.717,1375 7.339,1376 12.894,1377 10,1378 11.29,1379 0.289,1380 0.208,1381 11.932,1382 8.114,1383 9.097,1384 0.175,1385 0.11,1386 9.906,1387 5.738,1388 7.926,1389 0.115,1390 0.065,1391 8.833,1392 4.465,1393 6.096,1394 0.071,1395 0.033,1396 7.135,1397 2.815,1398 0.364,1399 81.068,1400 0.234,1401 24.805,1402 0.663,1403 134,1404 324.219,1405 169.552,1406 340.167,1407 475.74,1408 320,1409 158,1410 345.112,1411 191.788,1412 365.972,1413 539.98,1414 346,1415 6.092}
{0 CHEMBL60596,1 1.339,2 5.462,3 0.891,4 0.794,5 53.421,6 6.148,7 0.462,8 3.413,9 3.554,10 2.796,11 2.881,12 4.491,13 2.826,14 3.914,15 4.136,16 3.103,17 3.241,18 4.836,19 3.17,20 4.191,21 4.401,22 3.189,23 3.472,24 5.149,25 3.344,26 4.422,27 4.707,28 3.103,29 3.496,30 5.331,31 3.328,32 4.322,33 4.587,34 2.64,35 3.344,36 5.303,37 3.117,38 4.095,39 4.471,40 2.012,41 2.898,42 4.794,43 2.57,44 3.199,45 3.548,46 1.123,47 2.036,48 3.97,49 1.731,50 2.306,51 2.697,52 0.264,53 1.15,54 2.708,55 0.822,56 0.042,57 0.389,58 7.068,59 2.602,60 8.748,61 3.842,62 0.106,63 0.601,64 11.693,65 3.807,66 9.757,67 5.916,68 0.149,69 0.754,70 15.282,71 5.759,72 16.658,73 8.413,74 0.167,75 0.826,76 18.867,77 6.693,78 28.727,79 9.899,80 0.205,81 0.704,82 17.178,83 6.214,84 43.694,85 8.856,86 0.104,87 0.496,88 12.805,89 4.75,90 27.517,91 7.125,92 0.059,93 0.194,94 5.198,95 1.836,96 13.653,97 2.725,98 0.015,99 0.07,100 1.907,101 0.699,102 3.522,103 1.079,104 20,105 18,106 0.265,107 0.596,108 0.748,109 0.802,110 0.816,111 0.816,112 2.668,113 1.032,114 0.05,115 -0.1,116 -0.3,121 37.9,126 2,127 1,136 1,137 1,144 4,146 2,176 4,185 1,187 2,189 2,197 2,199 1,200 1,203 3,211 1,214 1,216 1,224 1,227 3,237 1,239 3,251 1,281 151,282 8.292,283 8.292,284 8.292,285 8.292,286 8.292,287 7.397,288 9.812,289 4.956,290 8.457,291 6.349,292 6.349,293 6.349,294 6.349,295 6.349,296 5.077,297 12.194,298 2.192,299 6.662,300 3.519,301 1.85,302 1.087,303 0.811,304 0.742,305 0.742,306 3.264,311 1,312 1,313 136,314 3,318 43.744,325 0.805,326 8.807,329 1,330 0.83,331 0.83,332 0.9,333 1,334 1,335 1,336 0.94,337 27.5,338 71,339 4.559,340 3.763,341 7.387,342 4.341,343 3.419,344 3.99,345 1.26,346 12.791,347 3.154,348 3.669,349 2.631,350 5.568,351 3.321,352 2.369,353 2.908,354 0.245,355 7.024,356 2.246,357 2.863,358 1.615,359 4.174,360 2.393,361 1.414,362 2.02,364 3.27,365 1.379,366 2.734,367 1.508,368 3.611,369 2.258,370 1.271,371 1.743,373 2.887,374 1.253,375 2.508,376 1.164,377 3.302,378 1.987,379 1,380 1.373,382 1.74,383 0.986,384 1.084,385 0.14,386 2.658,387 0.706,388 -0.217,389 -0.264,391 -0.461,392 -0.197,393 0.834,394 -0.31,395 2,396 0.426,397 -0.533,398 -0.701,400 -0.858,401 -0.509,402 0.597,403 -0.6,404 2,405 0.138,406 -0.845,407 -1,409 -2.062,410 -0.825,412 -0.739,413 2,414 -0.1,415 -1,416 -1.155,418 -3,419 -0.9,420 -0.107,421 -1.212,422 1.645,423 -0.482,424 -1.414,425 -1.85,427 -3.459,428 -1.323,429 -0.496,430 -1.238,431 1.055,432 -0.664,433 -1.606,434 -1.897,435 -0.4,436 -4.723,437 -1.518,438 -0.5,439 -1.581,440 0.317,441 -0.923,442 -1.859,443 -2.168,444 -0.4,445 -5.541,446 -1.745,447 -0.745,448 -2,449 0.283,450 -1,451 -2,452 -3,453 -0.705,454 -7.605,455 -2,474 6.233,475 0.479,476 0.423,477 0.033,478 15.25,479 1.173,480 7.5,481 0.577,482 7.75,483 0.596,484 8.307,485 0.639,486 15.067,487 0.52,488 10.152,489 0.781,490 3.391,491 0.261,492 2.685,493 0.207,494 0.294,495 0.064,496 0.16,501 1.096,502 1.58,503 1.043,504 1.263,505 1.118,506 1.163,507 1.146,508 0.948,509 0.956,510 0.818,511 0.571,512 0.83,513 0.814,514 1.349,515 1.152,516 1.32,517 0.844,518 1.278,519 1.01,520 0.922,521 0.94,522 0.955,523 0.884,524 0.938,525 1.668,526 1.065,527 1.377,528 1.174,529 1.956,530 1.251,531 0.397,532 0.66,533 0.634,534 0.722,535 0.451,536 0.711,537 1.019,538 0.691,539 0.898,540 0.766,541 1.371,542 0.825,543 0.079,544 0.576,545 0.53,546 0.636,547 0.298,548 0.634,549 3.5,551 2.222,552 1.5,553 0.44,554 0.271,555 0.06,556 0.028,559 823,560 1885,561 1.814,562 55.2,564 15,567 1,572 1.491,573 1.642,574 2.465,575 -0.277,579 1,582 38.828,583 1.339,584 3.008,585 3.771,586 4.047,587 4.116,588 4.116,589 1.884,590 3.335,591 3.672,592 2.513,593 196.038,594 6.113,595 1454.81,597 1,600 140.881,601 1.738,602 3.565,603 0.269,605 0.123,606 0.083,607 0.028,608 0.034,609 0.015,610 0.028,613 0.58,614 1,615 1,616 1.662,617 46.542,618 -0.037,619 -0.315,620 0.015,621 -0.113,622 -0.18,623 -0.061,624 -0.111,625 0.254,626 0.084,627 0.185,628 0.051,629 0.17,630 0.097,631 -0.24,632 -0.159,633 -0.257,634 -0.022,635 -0.241,636 -0.022,637 0.024,638 0.024,639 -0.009,640 0.071,641 0.014,642 -0.272,643 -0.165,644 -0.391,645 -0.218,646 -0.347,647 -0.308,648 0.119,649 0.081,650 0.227,651 0.137,652 0.198,653 0.186,654 -0.072,655 0.051,656 0.006,657 0.084,658 -0.171,659 0.054,660 0.176,661 0.095,662 0.285,663 0.169,664 0.095,665 0.229,666 1.325,667 3.623,668 0.462,669 5.704,670 0.985,671 1.132,672 -1.282,673 1.645,674 0.627,675 2.639,676 2.944,677 3.091,678 3.219,679 3.091,680 2.773,681 2.485,682 2.079,683 1.386,684 0.693,685 3.389,686 0.575,687 178.28,688 2.639,689 4.143,690 4.949,691 5.826,692 6.655,693 7.54,694 8.376,695 9.261,696 10.1,697 10.985,698 3.4,712 1,715 4,720 2,722 6,738 1,741 29,743 7,744 1,745 13,747 29,748 11,749 6,750 2,751 4,756 1,757 1,772 8,773 3,777 1,778 1,784 1,793 16,794 1,795 1,796 2,802 1,803 1,807 1,808 1,809 1,829 1,848 1,849 1,859 1,864 2,868 13,875 1,876 1,883 1,893 3.4,895 1,901 7.917,902 5.617,903 2.986,904 1.633,907 1.296,908 1.259,909 0.851,910 2.859,911 6.293,912 2.89,913 3.384,914 3.823,915 4.275,916 4.596,917 4.388,918 4.354,919 4.081,920 3.663,921 2.784,922 0.75,923 18,924 4.771,925 -0.003,926 1.86,927 0.026,929 7.756,931 9.118,932 -0.001,933 6.951,934 -0.002,936 2.256,937 29.333,938 0.008,941 176.567,942 84.803,945 42.683,948 84.803,949 219.25,951 16.793,952 17.873,953 47.381,954 42.683,955 2.757,957 176.567,959 176.567,960 84.803,961 42.683,964 176.567,965 42.683,968 2.106,969 73.221,970 9.476,972 176.567,973 42.683,974 84.803,977 176.567,978 4.862,979 64.174,981 58.45,982 176.567,983 42.683,984 84.803,986 0.574,987 0.333,988 0.176,989 0.071,990 8,991 4,992 0.103,993 3,995 1,996 2.347,997 73.299,999 6,1000 44.106,1005 9.967,1006 3.729,1007 2.172,1009 42.683,1010 7.391,1015 1.261,1017 42.683,1018 304.053,1019 17,1020 3.704,1026 1.854,1031 28.556,1032 32.822,1034 0.276,1035 0.619,1036 0.776,1037 0.833,1038 0.847,1039 0.847,1040 4.103,1041 -0.845,1042 5.017,1043 -0.858,1044 3.611,1045 4.06,1046 1.242,1047 5.922,1048 3.506,1049 5.329,1050 -1,1051 6.661,1052 -2.062,1053 3.611,1054 3.951,1055 0.931,1056 7.445,1057 3.357,1058 6.658,1059 -1.414,1060 8.442,1061 -3,1062 5.38,1063 6.187,1064 1.34,1065 10.446,1066 5.12,1067 8.033,1068 -1.606,1069 10.305,1070 -3.459,1071 6.176,1072 6.84,1073 1.381,1074 12.695,1075 5.762,1076 9.445,1077 -1.859,1078 12.214,1079 -4.723,1080 7.561,1081 8.643,1082 1.635,1083 15.371,1084 7.12,1085 10.883,1086 -2,1087 14.154,1088 -5.541,1089 8.641,1090 9.647,1091 1.783,1092 17.826,1093 8.073,1094 12.341,1096 16.111,1097 -7.605,1098 9.912,1099 11.253,1100 2.002,1101 20.415,1102 9.292,1103 3.419,1105 18.081,1107 11.088,1108 12.432,1109 2.192,1110 22.933,1111 10.363,1112 2.369,1113 12.791,1114 20.059,1116 12.327,1117 13.938,1118 2.407,1119 25.495,1120 11.534,1121 1.414,1122 7.024,1123 22.043,1124 3.99,1125 13.537,1126 15.209,1127 2.615,1128 28.034,1129 12.652,1130 1.271,1131 3.27,1132 24.031,1133 2.908,1134 14.768,1135 16.661,1136 2.833,1137 30.587,1138 13.807,1139 1,1140 2.887,1141 26.023,1142 2.02,1143 15.99,1144 17.981,1145 3.05,1146 33.132,1147 14.943,1148 -0.217,1149 1.74,1150 28.016,1151 1.743,1152 17.218,1153 19.404,1154 3.272,1155 35.683,1156 16.093,1157 -0.533,1158 -0.461,1159 30.011,1160 1.373,1161 18.445,1162 20.752,1163 3.495,1164 38.23,1165 17.236,1166 961,1167 1488,1168 7.742,1169 18.171,1170 19.59,1171 18.945,1172 20.391,1173 19.061,1174 18.947,1175 24.069,1176 3.01,1177 55.42,1178 18.034,1179 5.304,1180 5.763,1181 7.104,1182 5.341,1183 5.419,1184 6.99,1185 1.965,1186 20.396,1187 5.154,1188 7.428,1189 1.507,1190 1.457,1191 1.569,1192 1.466,1193 1.457,1194 1.851,1195 0.232,1196 4.263,1197 1.387,1198 3.989,1199 4.036,1200 3.923,1201 3.871,1202 6.469,1203 3.877,1204 3.654,1205 3.712,1206 3.529,1207 3.51,1208 4.743,1209 3.506,1210 3.337,1211 3.42,1212 3.153,1213 3.162,1214 4.62,1215 3.15,1216 2.941,1217 3.009,1218 2.82,1219 2.746,1220 4.186,1221 2.751,1222 2.874,1223 2.974,1224 2.575,1225 2.618,1226 3.567,1227 2.591,1228 2.754,1229 2.829,1230 2.499,1231 2.605,1232 3.467,1233 2.57,1234 2.587,1235 2.712,1236 2.237,1237 2.338,1238 3.254,1239 2.295,1240 2.132,1241 2.223,1242 1.846,1243 1.582,1244 3.133,1245 1.638,1246 0.351,1247 0.289,1248 0.568,1249 0.334,1250 0.263,1251 4.559,1252 0.307,1253 3.763,1254 0.097,1255 7.387,1256 0.984,1257 4.341,1258 0.243,1259 3.419,1260 3.99,1261 1.26,1262 12.791,1263 3.154,1264 1.935,1265 1.899,1266 2.065,1267 2.094,1268 1.268,1269 2.089,1270 1.647,1271 1.586,1272 1.858,1273 1.812,1274 0.933,1275 1.83,1276 1.351,1277 1.268,1278 1.66,1279 1.561,1280 0.64,1281 1.6,1282 0.934,1283 0.84,1284 1.417,1285 1.239,1286 0.469,1287 1.308,1288 0.883,1289 0.804,1290 1.152,1291 1.148,1292 0.183,1293 1.132,1294 0.764,1295 0.701,1296 1.137,1297 0.998,1298 0.125,1299 1.053,1300 0.633,1301 0.512,1302 0.994,1303 0.921,1304 0.036,1305 0.964,1308 0.55,1309 0.511,1311 0.533,1312 3.296,1314 4.595,1316 6.116,1318 7.737,1320 9.404,1322 4.077,1327 9.623,1328 0.803,1335 0.621,1340 16.687,1341 38.828,1342 87.23,1343 109.372,1344 117.372,1345 119.372,1346 119.372,1347 20.816,1348 4.997,1349 20.23,1350 20.23,1351 6,1352 11.527,1353 3,1354 2.322,1355 24.597,1356 25,1357 28,1358 0.522,1359 109.437,1360 186.15,1361 258.787,1362 573,1364 9.897,1365 0.761,1366 0.634,1367 9.897,1368 8.248,1369 6.077,1370 0.467,1371 0.344,1372 4.402,1373 5.874,1374 4.199,1375 3.606,1376 6.077,1377 4.471,1378 5.607,1379 0.311,1380 0.216,1381 5.607,1382 3.894,1383 4.01,1384 0.191,1385 0.109,1386 4.01,1387 2.288,1388 3.307,1389 0.138,1390 0.063,1391 3.307,1392 1.517,1393 1.795,1394 0.085,1395 0.032,1396 1.795,1397 0.672,1398 0.744,1399 37.858,1400 0.359,1401 12.902,1402 1.661,1403 62,1404 138.483,1405 66.546,1406 139.547,1407 186.61,1408 128,1409 70,1410 136.284,1411 75.879,1412 141.802,1413 200.19,1414 131,1415 5.733}
{0 CHEMBL606034,1 1.532,2 9.542,3 1.441,4 2.078,5 91.637,6 7.54,7 0.24,8 3.922,9 4.017,10 3.667,11 3.46,12 4.978,13 3.394,14 4.511,15 4.661,16 3.905,17 3.811,18 5.704,19 3.721,20 4.699,21 4.855,22 4.03,23 4.018,24 5.773,25 3.912,26 4.908,27 5.083,28 4.009,29 4.01,30 6.063,31 3.918,32 4.923,33 5.114,34 3.939,35 3.937,36 6.028,37 3.84,38 4.871,39 5.109,40 3.742,41 3.888,42 6.015,43 3.728,44 4.744,45 5.016,46 3.562,47 3.821,48 5.625,49 3.632,50 4.602,51 4.828,52 3.54,53 3.676,54 5.674,55 3.551,56 0.137,57 0.607,58 13.278,59 5.685,60 15.896,61 5.978,62 0.755,63 0.935,64 24.072,65 9.137,66 62.035,67 9.705,68 0.414,69 1.176,70 29.964,71 11.894,72 46.853,73 12.275,74 0.905,75 1.286,76 36.604,77 12.425,78 96.947,79 13.487,80 1.194,81 1.251,82 38.815,83 11.676,84 115.422,85 13.316,86 1.166,87 1.201,88 34.016,89 11.296,90 124.082,91 14.399,92 0.508,93 1.116,94 33.693,95 11.562,96 56.824,97 13.794,98 0.6,99 0.926,100 25.979,101 8.652,102 70.03,103 10.357,104 31,105 34,106 0.266,107 0.594,108 0.793,109 0.843,110 0.853,111 0.853,112 3.228,113 1.136,114 -2.93,115 -2.93,116 -2.83,121 36.2,122 1,123 1,124 1,126 2,127 3,138 1,140 1,144 5,145 1,160 1,176 8,179 4,180 6,187 8,192 10,200 4,205 2,206 12,214 2,218 3,219 2,227 4,231 6,239 6,244 3,251 6,256 8,264 4,269 10,277 2,281 882,282 15.983,283 15.983,284 15.983,285 15.983,286 15.983,287 14.644,288 15.739,289 9.366,290 16.333,291 12.138,292 12.138,293 12.138,294 12.138,295 12.138,296 9.993,297 15.341,298 4.224,299 12.556,300 4.022,301 2.134,302 0.992,303 0.703,304 0.644,305 0.644,306 3.888,310 1,311 1,312 1,313 466,314 3.606,318 84.703,319 94.001,325 1.285,326 35.3,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 53.667,338 229,339 4.585,340 3.774,341 7.011,342 4.312,343 3.327,344 3.96,345 1.674,346 11.909,347 3.276,348 4.297,349 3.358,350 6.662,351 3.981,352 2.988,353 3.662,354 1.151,355 10.61,356 2.959,357 3.896,358 2.915,359 5.342,360 3.509,361 2.522,362 3.444,363 0.765,364 6.969,365 2.491,366 3.27,367 2.79,368 5.133,369 3.072,370 2.103,371 2.345,373 5.977,374 2.027,375 3.165,376 2.419,377 4.846,378 2.818,379 1.876,380 2.196,382 4.994,383 1.744,384 2.927,385 1.912,386 3.721,387 2.521,388 1.548,389 2.076,391 3.241,392 1.504,393 2.5,394 1.461,395 3.623,396 2.008,397 1.109,398 1.5,400 2.436,401 1,402 2.217,403 1.447,404 3.569,405 2,406 1,407 1.199,409 2.136,410 0.984,411 1.76,412 1.203,413 3.247,414 1.658,415 0.73,416 0.739,418 1.565,419 0.668,420 1.502,421 1,422 3.237,423 1.285,424 0.398,425 0.416,427 0.747,428 0.347,429 1.464,430 0.771,431 3.036,432 1.218,433 0.313,434 0.332,436 0.478,437 0.281,438 1.343,439 0.585,440 2.588,441 0.944,442 -0.036,443 -0.045,445 -0.067,446 -0.035,447 0.911,448 0.136,449 2.378,450 0.667,451 -0.292,452 -0.328,454 -0.762,455 -0.276,456 0.708,457 -0.089,458 2.227,459 0.369,460 -0.611,461 -0.696,463 -1.476,464 -0.596,465 0.5,466 -0.343,467 1.847,468 0.112,469 -0.854,470 -1.029,472 -1.947,473 -0.817,474 11.5,475 0.479,476 0.599,477 0.025,478 25.5,479 1.063,480 10.5,481 0.438,482 15,483 0.625,484 22.958,485 0.957,486 28.1,487 0.598,488 20.014,489 0.834,490 5.196,491 0.216,492 6.292,493 0.262,494 0.188,495 0.087,496 0.217,501 0.891,502 1.463,503 0.818,504 1.587,505 0.686,506 1.147,507 0.96,508 0.905,509 0.99,510 0.985,511 0.66,512 0.88,513 1.084,514 1.249,515 1.221,516 1.389,517 0.956,518 1.107,519 1.349,520 1.128,521 1.2,522 1.124,523 1.445,524 1.101,525 1.432,526 1.01,527 1.141,528 1.034,529 1.524,530 1.081,531 0.712,532 0.827,533 0.794,534 0.677,535 0.717,536 0.947,537 0.697,538 0.92,539 0.972,540 1.053,541 0.641,542 0.895,543 1.258,544 0.747,545 0.886,546 0.621,547 1.368,548 0.825,549 5.5,550 0.095,551 2.889,552 2.188,553 1.371,554 0.855,555 0.457,556 0.285,557 0.248,558 0.164,559 5592,560 17196,561 1.939,562 48.9,564 17,569 6,572 1.673,573 1.789,574 3.193,575 -0.699,576 1,577 1,582 72.027,583 1.532,584 3.421,585 4.562,586 4.852,587 4.911,588 4.911,589 2.584,590 4.335,591 4.554,592 3.359,593 926.982,594 7.882,595 10948.6,597 1,599 1,600 261.066,601 1.613,602 4.488,603 0.22,604 0.007,605 0.085,606 0.056,607 0.038,608 0.028,609 0.018,610 0.012,611 0.011,612 0.008,613 0.483,614 0.33,615 1,616 1.152,617 113.522,618 -0.128,619 -0.209,620 0.244,621 -0.207,622 -0.107,623 -0.04,624 0.191,625 0.166,626 0.057,627 0.137,628 0.167,629 0.11,630 -0.098,631 -0.141,632 -0.115,633 -0.129,634 -0.055,635 -0.077,636 -0.1,637 -0.133,638 -0.18,639 -0.12,640 -0.127,641 -0.157,642 -0.144,643 -0.058,644 -0.144,645 -0.109,646 -0.203,647 -0.16,648 0.245,649 0.083,650 0.063,651 0.094,652 0.223,653 0.004,654 0.022,655 0.026,656 0.052,657 -0.014,658 0.058,659 0.119,660 -0.2,661 0.18,662 0.003,663 0.187,664 -0.166,665 0.118,666 4.036,667 5.458,668 0.542,669 20.313,670 1.012,671 1.127,672 1.697,673 2.88,674 0.65,675 3.258,676 3.555,677 3.761,678 3.932,679 4.043,680 4.111,681 4.143,682 4.007,683 3.912,684 3.912,685 5.739,686 0.607,687 354.37,688 3.258,689 4.779,690 5.602,691 6.469,692 7.31,693 8.185,694 9.033,695 9.911,696 10.764,697 11.645,715 5,720 1,722 6,741 47,743 9,744 1,745 25,747 48,748 17,749 6,750 1,751 5,752 3,756 2,757 2,763 1,767 1,768 1,770 1,772 9,773 8,774 1,777 3,782 2,786 3,788 1,789 1,790 1,793 23,794 6,796 7,797 1,808 1,809 6,816 1,818 1,829 1,830 1,846 1,849 1,850 1,858 1,859 2,864 3,868 24,876 4,878 4,880 1,893 12.8,896 2,897 3,898 1,901 13.417,902 9.2,903 5.542,904 2.603,906 1,907 1.385,908 1.212,909 0.919,910 6.908,911 7.922,912 3.466,913 3.961,914 4.341,915 4.697,916 4.962,917 4.953,918 4.998,919 4.904,920 5.027,921 5.325,922 1,923 39,924 9.086,926 3.901,927 0.026,929 7.95,931 16.895,933 13.499,936 2.45,937 58.806,941 285.403,942 108.498,945 81.251,947 14.668,948 108.498,949 351.987,951 30.591,952 11.719,953 62.049,954 82.686,955 17.371,957 270.735,959 270.735,960 108.498,961 81.251,962 14.668,964 200.109,965 127.035,966 24.843,968 20.545,969 82.71,970 19.912,972 270.735,973 81.251,974 108.498,975 14.668,976 14.668,977 270.735,978 30.525,979 77.973,981 81.251,982 270.735,983 81.251,984 123.166,986 0.572,987 0.34,988 0.172,989 0.087,990 14,991 7,992 0.146,993 7,995 1,996 3.457,997 184.376,999 13,1000 106.039,1005 19.045,1006 8.706,1007 5.103,1009 81.251,1010 9.763,1015 1.047,1018 475.152,1019 31,1024 24.585,1028 0.142,1030 -3.23,1031 47.542,1032 52.963,1034 0.276,1035 0.616,1036 0.821,1037 0.874,1038 0.884,1039 0.884,1040 4.705,1041 1,1042 5.617,1043 2.436,1044 4.234,1045 4.644,1046 2.344,1047 6.454,1048 4.176,1049 5.906,1050 0.73,1051 7.206,1052 2.136,1053 4.007,1054 4.59,1056 7.74,1057 3.981,1058 7.238,1059 0.398,1060 8.911,1061 1.565,1062 5.911,1063 6.758,1064 3.04,1065 10.71,1066 5.826,1067 8.609,1068 0.313,1069 10.689,1070 0.747,1071 6.509,1072 7.475,1074 12.783,1075 6.446,1076 10.015,1077 -0.036,1078 12.512,1079 0.478,1080 7.922,1081 9.176,1082 3.914,1083 15.371,1084 7.821,1085 11.443,1086 -0.292,1087 14.366,1088 -0.067,1089 8.86,1090 10.206,1092 17.697,1093 8.765,1094 12.888,1095 -0.611,1096 16.24,1097 -0.762,1098 10.11,1099 11.73,1100 4.875,1101 20.186,1102 9.99,1103 3.327,1104 -0.854,1105 18.13,1106 -1.476,1107 11.188,1108 12.905,1110 22.595,1111 11.063,1112 2.988,1113 11.909,1114 20.03,1115 -1.947,1116 12.385,1117 14.348,1118 5.874,1119 25.058,1120 12.241,1121 2.522,1122 10.61,1123 21.937,1124 3.96,1125 13.522,1126 15.598,1128 27.497,1129 13.367,1130 2.103,1131 6.969,1132 23.851,1133 3.662,1134 14.705,1135 17,1136 6.891,1137 29.955,1138 14.533,1139 1.876,1140 5.977,1141 25.769,1142 3.444,1143 15.868,1144 18.292,1146 32.406,1147 15.682,1148 1.548,1149 4.994,1150 27.691,1151 2.345,1152 17.05,1153 19.673,1154 7.915,1155 34.865,1156 16.847,1157 1.109,1158 3.241,1159 29.615,1160 2.196,1161 18.225,1162 20.99,1164 37.322,1165 18.008,1166 5719,1167 10155,1168 15.89,1169 30.546,1170 36.091,1171 38.057,1172 39.016,1173 35.645,1174 35.826,1175 43.737,1176 7.18,1177 102.126,1178 34.563,1179 5.537,1180 5.774,1181 6.813,1182 5.369,1183 5.327,1184 6.96,1185 3.349,1186 18.877,1187 5.276,1188 13.513,1189 1.444,1190 1.522,1191 1.561,1192 1.426,1193 1.433,1194 1.749,1195 0.287,1196 4.085,1197 1.383,1198 3.966,1199 3.984,1200 4.464,1201 4.019,1202 7.433,1203 3.866,1204 3.887,1205 3.911,1206 3.84,1207 3.845,1208 7.392,1209 3.807,1210 3.585,1211 3.59,1212 3.705,1213 3.586,1214 4.795,1215 3.44,1216 3.437,1217 3.472,1218 3.321,1219 3.228,1220 4.665,1221 3.227,1222 3.282,1223 3.345,1224 3.115,1225 3.021,1226 4.496,1227 3.02,1228 3.214,1229 3.28,1230 3.044,1231 2.993,1232 4.473,1233 3.001,1234 3.055,1235 3.135,1236 2.853,1237 2.839,1238 4.347,1239 2.813,1240 2.889,1241 2.952,1242 2.687,1243 2.735,1244 3.83,1245 2.715,1246 0.183,1247 0.151,1248 0.28,1249 0.172,1250 0.133,1251 4.585,1252 0.158,1253 3.774,1254 0.067,1255 7.011,1256 0.476,1257 4.312,1258 0.131,1259 3.327,1260 3.96,1261 1.674,1262 11.909,1263 3.276,1264 1.906,1265 1.879,1266 2.037,1267 2.002,1268 1.355,1269 2.014,1270 1.791,1271 1.761,1272 1.947,1273 1.919,1274 1.134,1275 1.933,1276 1.673,1277 1.665,1278 1.725,1279 1.761,1280 1.034,1281 1.842,1282 1.303,1283 1.26,1284 1.59,1285 1.593,1286 0.727,1287 1.594,1288 1.224,1289 1.16,1290 1.578,1291 1.524,1292 0.604,1293 1.548,1294 1.177,1295 1.104,1296 1.516,1297 1.463,1298 0.581,1299 1.486,1300 1.051,1301 0.962,1302 1.361,1303 1.26,1304 0.562,1305 1.324,1306 0.886,1307 0.821,1308 1.181,1309 1.122,1310 0.315,1311 1.122,1312 3.932,1314 5.231,1316 6.723,1317 2.708,1318 8.295,1319 5.38,1320 9.908,1322 4.261,1328 1.43,1330 21.065,1332 -0.257,1340 28.534,1341 72.027,1342 160.788,1343 214.436,1344 228.046,1345 230.801,1346 230.801,1347 64.814,1348 6.537,1349 71.06,1350 80.87,1351 13,1352 12.186,1353 3.322,1354 2.807,1355 48.227,1356 79,1357 90,1358 0.292,1359 182.323,1360 326.41,1361 436.628,1362 5225,1364 17.579,1365 0.732,1366 0.628,1367 17.829,1368 15.084,1369 11.487,1370 0.459,1371 0.379,1372 7.72,1373 10.02,1374 7.288,1375 6.086,1376 12.268,1377 9.467,1378 10.042,1379 0.295,1380 0.229,1381 11.351,1382 7.773,1383 8.201,1384 0.195,1385 0.139,1386 9.41,1387 5.843,1388 6.306,1389 0.126,1390 0.083,1391 7.242,1392 4.15,1393 4.569,1394 0.082,1395 0.053,1396 5.423,1397 2.941,1398 0.45,1399 80.962,1400 0.251,1401 23.322,1402 0.822,1403 118,1404 436.026,1405 169.997,1406 405.258,1407 531.74,1408 378,1409 135,1410 337.077,1411 194.682,1412 368.162,1413 535.89,1414 340,1415 4.456}
{0 CHEMBL606338,1 1.629,2 5.889,3 3.017,4 9.103,5 74.014,6 8.545,7 0.6,8 3.518,9 3.62,10 3.278,11 3.19,12 4.657,13 3.134,14 3.994,15 4.134,16 3.68,17 3.585,18 5.121,19 3.496,20 4.206,21 4.369,22 3.817,23 3.715,24 5.285,25 3.615,26 4.198,27 4.347,28 3.705,29 3.66,30 5.385,31 3.574,32 4.171,33 4.317,34 3.609,35 3.579,36 5.425,37 3.509,38 4.173,39 4.375,40 3.126,41 3.446,42 5.27,43 3.287,44 4.01,45 4.303,46 2.167,47 3.065,48 4.766,49 2.755,50 3.403,51 3.799,52 0.766,53 2.136,54 3.807,55 1.714,56 0.011,57 0.423,58 5.241,59 2.655,60 3.91,61 3.111,62 0.17,63 0.704,64 10.268,65 4.579,66 12.564,67 5.422,68 0.103,69 0.866,70 16.625,71 6.41,72 14.314,73 7.084,74 0.158,75 0.853,76 17.084,77 6.2,78 21.16,79 6.156,80 0.132,81 0.791,82 14.552,83 5.601,84 20.499,85 6.132,86 0.136,87 0.758,88 14.038,89 5.917,90 29.123,91 7.081,92 0.128,93 0.646,94 17.098,95 6.308,96 23.66,97 7.953,98 0.07,99 0.333,100 10.044,101 3.581,102 12.84,103 5.163,104 7,105 28,106 0.308,107 0.57,108 0.646,109 0.747,110 0.772,111 0.772,112 2.964,113 0.976,114 -3.64,115 -3.61,116 -3.44,121 46.7,126 1,144 8,146 4,161 1,176 6,179 1,180 2,183 2,187 6,192 5,200 6,206 4,211 2,214 4,219 5,224 5,227 6,232 2,237 2,239 6,251 2,281 328,282 12.491,283 12.491,284 12.491,285 12.491,286 12.491,287 10.907,288 12.605,289 7.402,290 12.815,291 9.82,292 9.82,293 9.82,294 9.82,295 9.82,296 7.42,297 13.596,298 3.409,299 10.339,300 3.277,301 1.892,302 1.492,303 0.958,304 0.825,305 0.825,306 3.644,310 1,311 1,312 1,313 228,314 2.55,318 92.167,322 104.557,325 0.704,326 10.719,329 1,330 0.83,331 1,332 0.6,334 1,335 1,336 0.78,337 38,338 106,339 4.545,340 4.609,341 6.975,342 4.216,343 3.283,344 4.105,345 2.95,346 11.849,347 3.056,348 3.962,349 3.706,350 5.982,351 3.502,352 2.532,353 3.58,354 1.701,355 8.37,356 2.447,357 3.712,358 3.221,359 5.685,360 3.349,361 2.416,362 2.95,363 0.563,364 7.484,365 2.244,366 3.021,367 2.7,368 4.657,369 2.621,370 1.686,371 2.179,372 0.075,373 4.582,374 1.554,375 2.943,376 1.788,377 4.116,378 2.472,379 1.487,380 2.097,382 3.329,383 1.451,384 2.819,385 1.629,386 3.71,387 2.336,388 1.347,389 1.966,391 3.142,392 1.329,393 2.702,394 1.348,395 3.594,396 2.227,397 1.247,398 1.792,400 2.902,401 1.215,402 1.917,403 1.098,404 3.341,405 1.576,406 0.632,407 0.776,409 1.418,410 0.593,411 1.47,412 0.833,413 2.855,414 1.157,415 0.201,416 0.237,418 0.307,419 0.187,420 1.119,421 0.492,422 2.404,423 0.69,424 -0.254,425 -0.329,427 -0.643,428 -0.235,429 0.909,430 0.49,431 2.307,432 0.491,433 -0.445,434 -0.563,436 -1.091,437 -0.405,438 0.591,439 -0.51,440 2,441 0.107,442 -0.879,443 -1.257,445 -2.123,446 -0.86,447 0.488,448 -0.707,449 2,450 0.01,451 -1,452 -1.434,454 -2.484,455 -1.005,456 0.211,457 -1.011,458 1.541,459 -0.252,460 -1.211,461 -1.715,463 -3.049,464 -1.164,465 -0.132,466 -1.073,467 1.434,468 -0.404,469 -1.389,470 -1.745,472 -3.227,473 -1.37,474 8.967,475 0.498,476 0.363,477 0.02,478 26,479 1.444,480 14.5,481 0.806,482 11.5,483 0.639,484 11.217,485 0.623,486 18.033,487 0.601,488 16.408,489 0.912,490 5.194,491 0.289,492 3.615,493 0.201,494 0.093,496 0.323,501 0.734,502 1.102,503 0.699,504 0.809,505 0.555,506 0.797,507 0.525,508 0.829,509 0.793,510 0.764,511 0.54,512 0.801,513 1.005,514 1.069,515 1.024,516 0.995,517 0.865,518 0.821,519 1.692,520 1.032,521 1.356,522 1.094,523 1.539,524 0.924,525 1.385,526 1.214,527 1.058,528 1.206,529 1.474,530 1.122,531 1.323,532 1.105,533 1.095,534 1.123,535 1.49,536 1.346,537 0.681,538 1.002,539 1.225,540 1.222,541 0.778,542 1.326,543 0.09,544 0.594,545 0.433,546 0.609,547 0.153,548 0.779,549 2.5,551 2,552 1.438,553 1.48,554 0.5,555 0.319,556 0.056,559 2388,560 6667,561 2.12,562 40,564 11,567 1,572 1.599,573 2,574 2.609,575 -0.28,577 1,579 1,582 48.884,583 1.629,584 3.015,585 3.415,586 3.948,587 4.082,588 4.082,589 1.788,590 3.503,591 4.145,592 2.654,593 406.06,594 7.091,595 3779.41,596 1,597 1,599 1,600 147.207,601 1.352,602 4.109,603 0.125,605 0.071,606 0.046,607 0.051,608 0.019,609 0.021,610 0.014,613 0.348,614 0.83,615 1,616 1.047,617 73.143,618 -0.045,619 -0.077,620 0.061,621 0.04,622 -0.067,623 0.032,624 0.314,625 0.232,626 0.112,627 0.161,628 0.059,629 0.07,630 -0.032,631 -0.032,632 0.103,633 0.068,634 0.004,635 0.12,636 -0.299,637 0.042,638 -0.22,639 -0.044,640 -0.115,641 -0.036,642 -0.099,643 -0.24,644 -0.166,645 -0.298,646 -0.011,647 -0.244,648 -0.239,649 -0.211,650 -0.305,651 -0.263,652 -0.207,653 -0.401,654 -0.035,655 -0.151,656 -0.192,657 -0.196,658 -0.094,659 -0.202,660 0.322,661 0.176,662 0.508,663 0.361,664 0.212,665 0.49,666 1.782,667 5.098,668 0.778,669 9.556,670 1.001,671 1.107,672 2.41,673 5.808,674 0.731,675 3.045,676 3.367,677 3.714,678 4.043,679 4.344,680 4.369,681 4.466,682 4.511,683 4.466,684 4.143,685 3.844,686 0.686,687 256.35,688 3.045,689 4.575,690 5.451,691 6.351,692 7.253,693 8.164,694 9.073,695 9.986,696 10.898,697 11.812,698 6.7,705 2,715 8,720 4,722 12,741 30,743 13,744 2,745 20,747 32,748 14,749 12,750 4,751 8,756 3,757 6,761 1,772 13,773 1,777 1,782 1,786 1,790 1,793 12,794 3,795 1,796 4,797 1,802 2,808 0.333,809 1,829 3,833 2,859 1,860 1,862 1,864 1,868 18,877 1,879 1,881 1,893 3.3,896 1,901 9,902 5.7,903 4.056,904 1.713,907 2.547,908 1.381,909 1.022,910 2.918,911 9.24,912 3.332,913 3.912,914 4.494,915 5.092,916 5.681,917 5.859,918 6.271,919 6.665,920 6.924,921 6.968,922 0.75,923 31,924 6.629,926 2.81,927 0.026,929 7.704,931 12.693,933 10.408,936 2.204,937 39.667,938 0.002,941 129.482,942 129.317,943 21.135,945 25.145,947 32.22,948 97.097,949 154.627,950 21.135,951 8.396,952 21.135,953 75.81,954 25.145,955 8.615,956 4.276,957 161.702,959 129.482,960 118.232,961 25.145,962 32.22,964 129.482,965 25.145,968 21.135,969 97.097,971 32.22,972 129.482,973 46.28,974 129.317,977 129.482,978 45.11,979 87.331,980 18.011,981 25.145,982 129.482,983 46.28,984 129.317,986 0.572,987 0.358,988 0.213,989 0.129,990 15,991 6,994 2,995 1.286,996 2.945,997 138.184,998 0.286,999 14,1000 63.059,1001 1,1005 11.478,1006 4.576,1007 1.881,1009 46.28,1010 15.87,1015 4.056,1017 18.011,1018 305.079,1019 27,1024 12.098,1028 -0.116,1031 30.025,1032 33.202,1034 0.332,1035 0.614,1036 0.696,1037 0.805,1038 0.832,1039 0.832,1040 4.554,1041 0.632,1042 5.434,1043 2.902,1044 4.043,1045 4.595,1046 3.172,1047 6.301,1048 3.936,1049 5.751,1050 0.201,1051 7.02,1052 1.418,1053 3.611,1054 4.29,1055 1.305,1056 7.338,1057 3.415,1058 7.057,1059 -0.254,1060 8.717,1061 0.307,1062 5.666,1063 6.747,1064 5.099,1065 10.514,1066 5.431,1067 8.401,1068 -0.445,1069 10.481,1070 -0.643,1071 6.111,1072 7.264,1073 2.473,1074 12.416,1075 5.77,1076 9.78,1077 -0.879,1078 12.288,1079 -1.091,1080 7.619,1081 9.181,1082 7.206,1083 15.114,1084 7.244,1085 11.183,1086 -1,1087 14.124,1088 -2.123,1089 8.474,1090 10.103,1091 3.608,1092 17.357,1093 7.992,1094 12.607,1095 -1.211,1096 15.981,1097 -2.484,1098 9.769,1099 11.772,1100 9.354,1101 19.902,1102 9.244,1103 3.283,1104 -1.389,1105 17.854,1106 -3.049,1107 10.81,1108 12.907,1109 4.717,1110 22.283,1111 10.186,1112 2.532,1113 11.849,1114 19.739,1115 -3.227,1116 12.027,1117 14.45,1118 11.513,1119 24.778,1120 11.348,1121 2.416,1122 8.37,1123 21.633,1124 4.105,1125 13.149,1126 15.702,1127 5.808,1128 27.213,1129 12.381,1130 1.686,1131 7.484,1132 23.535,1133 3.58,1134 14.341,1135 17.179,1136 13.676,1137 29.692,1138 13.509,1139 1.487,1140 4.582,1141 25.443,1142 2.95,1143 15.499,1144 18.496,1145 6.887,1146 32.149,1147 14.584,1148 1.347,1149 3.329,1150 27.356,1151 2.179,1152 16.684,1153 19.938,1154 15.839,1155 34.623,1156 15.701,1157 1.247,1158 3.142,1159 29.274,1160 2.097,1161 17.858,1162 21.293,1163 7.96,1164 37.089,1165 16.797,1166 2380,1167 4068,1168 13.523,1169 21.921,1170 29.882,1171 32.59,1172 31.43,1173 29.724,1174 29.664,1175 39.363,1176 10.58,1177 86.766,1178 28.15,1179 5.417,1180 6.609,1181 6.661,1182 5.38,1183 5.283,1184 7.105,1185 5.9,1186 19.38,1187 5.056,1188 6.842,1189 1.494,1190 1.629,1191 1.571,1192 1.486,1193 1.483,1194 1.968,1195 0.529,1196 4.338,1197 1.407,1198 4.022,1199 4.044,1200 4.148,1201 3.985,1202 7.43,1203 3.96,1204 3.758,1205 3.788,1206 3.686,1207 3.707,1208 4.813,1209 3.698,1210 3.522,1211 3.592,1212 3.475,1213 3.236,1214 4.615,1215 3.275,1216 3.096,1217 3.171,1218 3.272,1219 3.014,1220 4.195,1221 2.935,1222 2.952,1223 2.981,1224 2.917,1225 2.867,1226 3.833,1227 2.845,1228 2.786,1229 2.856,1230 2.628,1231 2.674,1232 3.73,1233 2.655,1234 2.749,1235 2.79,1236 2.602,1237 2.509,1238 3.583,1239 2.521,1240 2.559,1241 2.608,1242 2.457,1243 2.485,1244 3.275,1245 2.473,1246 0.227,1247 0.23,1248 0.349,1249 0.211,1250 0.164,1251 4.545,1252 0.205,1253 4.609,1254 0.148,1255 6.975,1256 0.592,1257 4.216,1258 0.153,1259 3.283,1260 4.105,1261 2.95,1262 11.849,1263 3.056,1264 1.977,1265 1.96,1266 2.029,1267 2.054,1268 1.195,1269 2.061,1270 1.772,1271 1.744,1272 1.902,1273 1.849,1274 0.978,1275 1.869,1276 1.415,1277 1.34,1278 1.692,1279 1.726,1280 0.688,1281 1.716,1282 1.065,1283 1.004,1284 1.255,1285 1.303,1286 0.349,1287 1.299,1288 0.952,1289 0.919,1290 1.117,1291 1.047,1292 0.261,1293 1.105,1294 0.817,1295 0.754,1296 1.109,1297 0.991,1298 0.165,1299 1.035,1300 0.669,1301 0.63,1302 0.881,1303 0.938,1305 0.941,1306 0.581,1307 0.538,1308 0.821,1309 0.715,1311 0.754,1312 3.714,1314 5.03,1316 6.586,1318 8.256,1320 9.986,1322 1.648,1329 2.694,1331 1.692,1333 1.723,1340 20.579,1341 48.884,1342 90.452,1343 102.452,1344 118.452,1345 122.452,1346 122.452,1347 20.774,1348 6.693,1349 34.03,1350 62.27,1351 18,1352 12.325,1353 3.807,1354 3,1355 25.35,1356 41,1357 40,1358 0.321,1359 131.107,1360 222.7,1361 311.661,1362 6038,1364 12.535,1365 0.696,1366 0.594,1367 12.889,1368 10.699,1369 8.809,1370 0.44,1371 0.325,1372 5.698,1373 8.12,1374 5.47,1375 4.565,1376 9.217,1377 6.504,1378 7.615,1379 0.272,1380 0.179,1381 8.258,1382 5.012,1383 6.831,1384 0.171,1385 0.099,1386 7.641,1387 3.979,1388 5.894,1389 0.105,1390 0.055,1391 6.8,1392 3.093,1393 5.269,1394 0.069,1395 0.032,1396 6.308,1397 2.424,1398 0.462,1399 58.571,1400 0.272,1401 17.274,1402 1.027,1403 96,1404 266.574,1405 128.472,1406 283.065,1407 394.96,1408 266,1409 116,1410 282.013,1411 146.929,1412 302.287,1413 448.93,1414 286,1415 5.029}
{0 CHEMBL606348,1 1.436,2 9.483,3 3.522,4 12.401,5 118.48,6 7.1,7 0.188,8 4.093,9 4.204,10 3.625,11 3.651,12 5.165,13 3.621,14 4.648,15 4.816,16 4.009,17 4.064,18 5.665,19 4.02,20 4.878,21 5.042,22 4.169,23 4.289,24 5.889,25 4.227,26 5.061,27 5.269,28 4.19,29 4.371,30 6.01,31 4.274,32 5.163,33 5.403,34 4.078,35 4.382,36 6.066,37 4.252,38 5.101,39 5.345,40 3.969,41 4.301,42 6.022,43 4.159,44 5.012,45 5.267,46 3.912,47 4.183,48 5.931,49 4.06,50 4.926,51 5.162,52 3.9,53 4.077,54 5.869,55 3.978,56 0.023,57 0.745,58 11.773,59 5.394,60 9.753,61 6.988,62 0.231,63 1.229,64 22.464,65 9.019,66 29.088,67 11.939,68 0.2,69 1.592,70 27.849,71 11.244,72 33.27,73 15.043,74 0.312,75 1.88,76 34.521,77 13.592,78 42.592,79 19.017,80 0.464,81 1.998,82 39.876,83 14.802,84 57.302,85 20.927,86 0.345,87 1.814,88 37.577,89 14.734,90 55.62,91 20.561,92 0.304,93 1.66,94 34.814,95 12.861,96 50.317,97 18.11,98 0.265,99 1.45,100 32.006,101 12.119,102 45.524,103 16.362,104 35,105 47,106 0.237,107 0.611,108 0.786,109 0.836,110 0.836,111 0.836,112 3.409,113 0.922,114 -4.48,115 -4.41,116 -4.15,121 43.6,122 2,123 2,124 1,126 2,132 1,137 4,138 3,140 1,144 3,145 1,146 2,157 1,160 1,176 12,180 9,183 1,185 3,187 17,192 9,197 2,200 15,205 1,206 9,209 1,211 3,214 19,218 2,219 2,224 2,227 18,231 1,232 3,237 3,239 17,244 8,249 2,251 13,256 11,264 4,269 12,272 2,274 1,277 5,281 1396,282 19.693,283 19.693,284 19.693,285 19.693,286 19.693,287 17.69,288 28.165,289 11.22,290 20.126,291 15.605,292 15.605,293 15.605,294 15.605,295 15.605,296 12.473,297 35.807,298 5.058,299 16.096,300 4.346,301 2.077,302 1.014,303 0.709,304 0.709,305 0.709,306 4.104,311 1,312 1,313 590,314 3.536,318 276.784,320 84.109,322 108.606,324 128.682,325 1.225,326 24.374,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 62,338 275,339 4.862,340 4.145,341 8.052,342 4.683,343 3.699,344 4.175,345 1.398,346 15.6,347 3.639,348 4.208,349 3.481,350 6.179,351 3.783,352 2.817,353 3.857,354 1.081,355 8.706,356 2.721,357 4.025,358 3.055,359 5.876,360 3.638,361 2.652,362 3.352,363 0.86,364 8.325,365 2.611,366 3.708,367 2.919,368 5.781,369 3.464,370 2.476,371 2.921,372 0.86,373 8.137,374 2.444,375 3.499,376 2.733,377 5.112,378 3.136,379 2.133,380 2.733,381 0.717,382 6.001,383 2.139,384 3.477,385 2.567,386 5.006,387 3.043,388 2.07,389 2.67,390 0.68,391 5.962,392 2.031,393 3.355,394 2.555,395 4.969,396 3.003,397 2.061,398 2.604,399 0.473,400 5.818,401 1.976,402 3.348,403 2.31,404 4.95,405 2.972,406 1.993,407 2.457,408 0.212,409 5.653,410 1.867,411 2.73,412 1.529,413 4.321,414 2.256,415 1.279,416 1.633,418 3.526,419 1.247,420 2.483,421 1.48,422 4.079,423 2.04,424 1.057,425 1.331,427 2.586,428 1.038,429 2.198,430 1.204,431 3.476,432 1.569,433 0.626,434 0.886,436 1.38,437 0.586,438 1.592,439 1.013,440 3.242,441 1.321,442 0.461,443 0.514,445 0.676,446 0.394,447 1.576,448 0.916,449 2.953,450 1.27,451 0.396,452 0.452,454 0.602,455 0.342,456 1.525,457 0.761,458 2.842,459 1.13,460 0.126,461 0.152,463 0.357,464 0.126,465 1.056,466 0.441,467 2.797,468 0.862,469 -0.144,470 -0.154,472 -0.247,473 -0.144,474 13.8,475 0.476,476 0.774,477 0.027,478 33.25,479 1.147,480 15,481 0.517,482 18.25,483 0.629,484 29.604,485 1.021,486 31.2,487 0.567,488 26.713,489 0.921,490 6.69,491 0.231,492 7.293,493 0.251,494 0.169,495 0.036,496 0.326,501 0.78,502 1.218,503 0.816,504 1.104,505 0.651,506 0.984,507 1.035,508 0.966,509 0.81,510 0.839,511 0.662,512 0.803,513 1.011,514 1.201,515 1.029,516 1.077,517 0.961,518 1.055,519 0.607,520 1.195,521 0.967,522 1.122,523 0.632,524 1.092,525 0.811,526 0.985,527 1.073,528 1.007,529 0.812,530 1.056,531 0.752,532 1.039,533 1.002,534 1.061,535 0.832,536 1.069,537 0.861,538 0.891,539 0.935,540 0.934,541 1.025,542 0.932,543 1.114,544 0.974,545 0.892,546 1.008,547 0.986,548 0.937,549 8,550 0.148,551 3.556,552 3.063,553 2.484,554 1.417,555 0.714,556 0.523,557 0.457,558 0.296,559 9252,560 23197,561 2.061,562 47.3,563 7,564 13,566 1,567 1,569 4,572 1.728,573 1.902,574 3.177,575 -0.405,577 1,582 78.969,583 1.436,584 3.704,585 4.767,586 5.072,587 5.072,588 5.072,589 2.568,590 4.185,591 4.83,592 3.351,593 1360.32,594 8.457,595 17674.1,597 1,599 1,600 317.975,601 1.636,602 4.769,603 0.25,604 0.009,605 0.076,606 0.057,607 0.047,608 0.031,609 0.017,610 0.013,611 0.012,612 0.009,613 0.521,614 0.17,615 1,616 0.943,617 143.581,618 -0.01,619 -0.078,620 0.06,621 -0.033,622 -0.042,623 0.015,624 -0.02,625 0.104,626 0.136,627 0.181,628 0.072,629 0.177,630 -0.12,631 -0.098,632 -0.105,633 -0.062,634 -0.1,635 -0.08,636 0.091,637 -0.13,638 -0.038,639 -0.126,640 0.042,641 -0.105,642 -0.023,643 0.044,644 -0.114,645 -0.035,646 -0.052,647 -0.076,648 0.005,649 -0.072,650 -0.045,651 -0.063,653 -0.064,654 -0.033,655 0.096,656 0.042,657 0.037,658 -0.039,659 0.055,660 -0.009,661 -0.042,662 0.108,663 -0.019,664 0.018,665 0.051,666 1.758,667 4.949,668 0.655,669 23.453,670 0.996,671 1.12,672 3.249,673 10.558,674 0.664,675 3.497,676 3.871,677 4.205,678 4.564,679 4.86,680 5.024,681 5.153,682 5.288,683 5.357,684 5.403,685 5.811,686 0.627,687 390.52,688 3.497,689 5.069,690 5.953,691 6.88,692 7.79,693 8.728,694 9.649,695 10.593,696 11.519,697 12.467,698 3.6,705 1,707 1,715 3,720 3,722 6,725 1,739 2,741 55,743 12,744 1,745 32,747 58,748 24,749 6,750 3,751 3,752 6,756 4,757 7,763 2,767 2,768 2,770 2,772 16,773 8,774 2,777 6,782 1,784 5,785 1,786 5,790 1,793 26,794 5,795 1,796 5,802 2,808 0.5,809 3,829 4,831 1,833 1,835 1,843 1,849 5,850 3,859 2,864 4,868 29,876 2,877 1,878 2,880 1,882 1,893 5.5,896 1,898 2,901 15.25,902 11.2,903 6.472,904 3.235,907 2.638,908 1.337,909 0.96,910 5.222,911 10.469,912 3.738,913 4.311,914 4.866,915 5.427,916 5.961,917 6.267,918 6.603,919 6.925,920 7.282,921 7.584,922 1,923 54,924 10.734,926 4.577,927 0.026,929 7.652,931 20.732,933 17.325,936 2.152,937 62.417,939 1,940 1,941 294.278,942 150.557,943 34.796,945 47.145,948 150.557,949 341.422,950 34.796,951 39.417,952 23.08,953 66.334,954 53.425,955 62.014,957 282.506,959 294.278,960 185.354,961 47.145,964 247.193,965 94.229,968 57.516,969 78.129,970 49.709,972 294.278,973 81.941,974 150.557,977 294.278,978 35.76,979 114.798,980 18.011,981 63.93,982 294.278,983 81.941,984 150.557,986 0.582,987 0.359,988 0.212,989 0.124,990 24,991 11,992 0.069,993 4,994 3,995 1.263,996 3.8,997 274.999,998 0.316,999 18,1000 132.881,1005 19.72,1006 7.68,1007 3.465,1009 81.941,1010 5.729,1015 2.354,1017 18.011,1018 526.776,1019 41,1024 11.949,1026 9.934,1027 5.162,1028 4.604,1031 54.789,1032 61.607,1034 0.248,1035 0.641,1036 0.825,1037 0.877,1038 0.877,1039 0.877,1040 5.027,1041 1.993,1042 5.989,1043 5.818,1044 4.554,1045 4.997,1046 2.505,1047 6.919,1048 4.504,1049 6.262,1050 1.279,1051 7.623,1052 5.653,1053 4.369,1054 4.879,1055 0.747,1056 8.298,1057 4.313,1058 7.608,1059 1.057,1060 9.374,1061 3.526,1062 6.29,1063 7.146,1064 2.532,1065 11.463,1066 6.204,1067 8.987,1068 0.626,1069 11.205,1070 2.586,1071 6.929,1072 7.787,1073 1.478,1074 13.781,1075 6.832,1076 10.4,1077 0.461,1078 13.096,1079 1.38,1080 8.389,1081 9.561,1082 2.77,1083 16.616,1084 8.273,1085 11.838,1086 0.396,1087 15.033,1088 0.676,1089 9.41,1090 10.572,1091 2.2,1092 19.247,1093 9.281,1094 13.298,1095 0.126,1096 17.007,1097 0.602,1098 10.734,1099 12.142,1100 3.157,1101 22.014,1102 10.589,1103 3.699,1104 -0.144,1105 19.009,1106 0.357,1107 11.923,1108 13.346,1109 2.913,1110 24.731,1111 11.764,1112 2.817,1113 15.6,1114 21.032,1115 -0.247,1116 13.217,1117 14.825,1118 3.648,1119 27.483,1120 13.043,1121 2.652,1122 8.706,1123 23.073,1124 4.175,1125 14.474,1126 16.129,1127 3.616,1128 30.221,1129 14.286,1130 2.476,1131 8.325,1132 25.125,1133 3.857,1134 15.768,1135 17.569,1136 4.206,1137 32.97,1138 15.564,1139 2.133,1140 8.137,1141 27.186,1142 3.352,1143 17.053,1144 18.925,1145 4.309,1146 35.715,1147 16.834,1148 2.07,1149 6.001,1150 29.254,1151 2.921,1152 18.351,1153 20.348,1154 4.807,1155 38.462,1156 18.117,1157 2.061,1158 5.962,1159 31.327,1160 2.733,1161 19.649,1162 21.731,1163 4.996,1164 41.209,1165 19.399,1166 9008,1167 14361,1168 20.978,1169 36.512,1170 49.3,1171 49.677,1172 51.615,1173 47.494,1174 47.696,1175 59.473,1176 12.562,1177 146.654,1178 46.322,1179 5.828,1180 6.145,1181 7.605,1182 5.723,1183 5.699,1184 7.175,1185 2.527,1186 24.202,1187 5.639,1188 15.703,1189 1.541,1190 1.552,1191 1.613,1192 1.484,1193 1.491,1194 1.859,1195 0.393,1196 4.583,1197 1.448,1198 4.086,1199 4.116,1200 4.035,1201 4.015,1202 7.43,1203 4.015,1204 3.912,1205 3.927,1206 3.864,1207 3.833,1208 4.955,1209 3.838,1210 3.699,1211 3.734,1212 3.633,1213 3.581,1214 4.748,1215 3.587,1216 3.45,1217 3.515,1218 3.313,1219 3.339,1220 4.58,1221 3.323,1222 3.353,1223 3.411,1224 3.25,1225 3.167,1226 4.449,1227 3.18,1228 3.303,1229 3.355,1230 3.144,1231 3.091,1232 4.362,1233 3.079,1234 3.239,1235 3.31,1236 3.077,1237 3.006,1238 4.181,1239 3.026,1240 3.133,1241 3.213,1242 2.964,1243 2.911,1244 4.048,1245 2.912,1246 0.152,1247 0.13,1248 0.252,1249 0.146,1250 0.116,1251 4.862,1252 0.13,1253 4.145,1254 0.044,1255 8.052,1256 0.487,1257 4.683,1258 0.114,1259 3.699,1260 4.175,1261 1.398,1262 15.6,1263 3.639,1264 2.044,1265 2.018,1266 2.147,1267 2.135,1268 1.472,1269 2.139,1270 1.883,1271 1.867,1272 1.974,1273 1.988,1274 1.082,1275 1.982,1276 1.666,1277 1.633,1278 1.811,1279 1.819,1280 0.949,1281 1.816,1282 1.476,1283 1.417,1284 1.751,1285 1.643,1286 0.841,1287 1.684,1288 1.3,1289 1.244,1290 1.59,1291 1.558,1292 0.793,1293 1.565,1294 1.247,1295 1.183,1296 1.567,1297 1.536,1298 0.584,1299 1.542,1300 1.227,1301 1.163,1302 1.555,1303 1.452,1304 0.58,1305 1.492,1306 1.119,1307 1.039,1308 1.44,1309 1.378,1310 0.56,1311 1.405,1312 4.174,1314 5.533,1316 7.114,1318 8.814,1320 10.583,1322 7.515,1328 1.59,1329 3.049,1330 10.791,1332 0.247,1334 -0.508,1340 34.509,1341 78.969,1342 203.733,1343 262.2,1344 278.955,1345 278.955,1346 278.955,1347 50.393,1348 7.831,1349 63.68,1350 63.68,1351 24,1352 12.962,1353 3.7,1354 3.322,1355 44.347,1356 96,1357 107,1358 0.22,1359 210.644,1360 388.03,1361 505.731,1362 25276,1364 20.596,1365 0.71,1366 0.596,1367 20.596,1368 17.282,1369 13.984,1370 0.437,1371 0.307,1372 9.708,1373 13.474,1374 9.303,1375 7.773,1376 13.984,1377 9.838,1378 12.734,1379 0.271,1380 0.164,1381 12.734,1382 7.724,1383 10.942,1384 0.166,1385 0.089,1386 10.942,1387 5.886,1388 9.917,1389 0.104,1390 0.05,1391 9.917,1392 4.741,1393 8.427,1394 0.066,1395 0.027,1396 8.427,1397 3.473,1398 0.333,1399 87.546,1400 0.218,1401 26.716,1402 0.644,1403 158,1404 427.185,1405 170.079,1406 409.936,1407 565.55,1408 386,1409 192,1410 415.446,1411 203.473,1412 426.71,1413 625.7,1414 398,1415 7.538}
{0 CHEMBL606372,1 1.343,2 11.9,3 4.077,4 16.619,5 129.543,6 6.773,7 0.182,8 4.142,9 4.271,10 3.636,11 3.731,12 5.17,13 3.679,14 4.692,15 4.883,16 4.017,17 4.148,18 5.655,19 4.077,20 4.959,21 5.148,22 4.164,23 4.376,24 5.916,25 4.282,26 5.143,27 5.378,28 4.141,29 4.444,30 6.019,31 4.313,32 5.198,33 5.459,34 3.975,35 4.405,36 6.042,37 4.239,38 5.092,39 5.378,40 3.822,41 4.227,42 5.955,43 4.051,44 4.847,45 5.109,46 3.633,47 4.031,48 5.759,49 3.874,50 4.769,51 5.046,52 3.614,53 3.967,54 5.639,55 3.813,56 0.055,57 0.825,58 13.077,59 5.619,60 11.072,61 7.838,62 0.202,63 1.377,64 23.816,65 9.351,66 24.941,67 13.39,68 0.203,69 1.773,70 31.169,71 12.441,72 34.411,73 17.619,74 0.263,75 2.051,76 38.282,77 15.204,78 40.994,79 21.844,80 0.302,81 2.094,82 41.19,83 15.859,84 50.96,85 22.97,86 0.299,87 1.8,88 37.55,89 14.673,90 52.255,91 21.224,92 0.243,93 1.433,94 29.228,95 11.086,96 44.384,97 15.846,98 0.207,99 1.292,100 26.995,101 10.978,102 37.543,103 15.537,104 30,105 48,106 0.218,107 0.587,108 0.78,109 0.846,110 0.846,111 0.846,112 3.441,113 0.953,114 -5.07,115 -4.97,116 -4.65,121 44.1,122 2,123 2,124 1,126 2,132 1,137 6,138 3,140 1,144 4,145 1,146 1,156 1,160 1,176 16,180 7,183 1,185 3,187 21,192 8,197 2,200 20,206 9,209 1,211 3,214 21,219 4,224 2,227 15,231 1,232 6,237 3,239 16,244 2,249 1,251 15,255 1,256 3,261 1,264 19,269 1,274 2,277 18,281 1632,282 20.126,283 20.126,284 20.126,285 20.126,286 20.126,287 17.914,288 26.055,289 11.609,290 20.319,291 16.202,292 16.202,293 16.202,294 16.202,295 16.202,296 12.914,297 35.127,298 5.357,299 16.494,300 4.54,301 2.263,302 1.068,303 0.661,304 0.661,305 0.661,306 4.135,311 1,312 1,313 772,314 3.873,318 312.329,320 95.022,322 122.006,324 144.379,325 1.46,326 18.27,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 62.5,338 357,339 4.861,340 4.145,341 8.052,342 4.683,343 3.699,344 4.171,345 1.398,346 15.599,347 3.639,348 4.121,349 3.481,350 6.179,351 3.749,352 2.784,353 3.709,354 1.081,355 8.706,356 2.694,357 4.026,358 2.982,359 5.929,360 3.639,361 2.653,362 3.353,363 0.8,364 8.227,365 2.612,366 3.721,367 2.921,368 5.872,369 3.466,370 2.477,371 3,372 0.717,373 8.153,374 2.447,375 3.672,376 2.732,377 5.298,378 3.346,379 2.369,380 2.898,381 0.68,382 6.789,383 2.305,384 3.487,385 2.566,386 5.112,387 3.136,388 2.133,389 2.67,390 0.473,391 6,392 2.138,393 3.445,394 2.444,395 4.954,396 3.019,397 2,398 2.562,399 0.212,400 5.658,401 2.026,402 3.044,403 1.913,404 4.332,405 2.521,406 1.552,407 2.085,409 3.62,410 1.502,411 2.703,412 1.483,413 4.119,414 2.252,415 1.283,416 1.599,418 3.227,419 1.241,420 2.513,421 1.468,422 3.814,423 2.168,424 1.204,425 1.5,427 2.881,428 1.157,429 2.5,430 1.321,431 3.607,432 2,433 1,434 1.452,436 2.275,437 1,438 2.358,439 1,440 3.414,441 1.984,442 0.992,443 1.223,445 2.271,446 0.983,447 2.134,448 0.786,449 3.276,450 1.412,451 0.446,452 0.683,454 0.987,455 0.43,456 1.525,457 0.738,458 3.173,459 1.13,460 0.126,461 0.152,463 0.357,464 0.126,465 1.059,466 0.441,467 2.927,468 0.866,469 -0.138,470 -0.146,472 -0.235,473 -0.138,474 14.533,475 0.484,476 0.833,477 0.028,478 34.5,479 1.15,480 16,481 0.533,482 18.5,483 0.617,484 30.131,485 1.004,486 31.667,487 0.537,488 27.126,489 0.904,490 6.9,491 0.23,492 7.524,493 0.251,494 0.161,495 0.034,496 0.303,501 0.746,502 1.249,503 0.878,504 1.064,505 0.651,506 0.992,507 0.825,508 0.993,509 0.843,510 0.869,511 0.551,512 0.851,513 1.059,514 1.173,515 1.068,516 1.096,517 0.936,518 1.082,519 0.791,520 1.103,521 1.02,522 1.083,523 0.681,524 1.07,525 0.963,526 1.048,527 1.119,528 1.085,529 0.897,530 1.106,531 0.725,532 0.948,533 0.893,534 0.972,535 0.802,536 0.951,537 1.255,538 0.938,539 1.084,540 0.999,541 1.319,542 1.022,543 0.791,544 0.76,545 0.794,546 0.842,547 1,548 0.828,549 7.5,550 0.185,551 4.222,552 2.75,553 2.213,554 1.361,555 0.628,556 0.476,557 0.28,558 0.195,559 11605,560 25215,561 2.059,562 49.2,563 7,564 16,566 1,567 1,569 4,572 1.728,573 1.905,574 3.409,575 -0.448,582 79.228,583 1.343,584 3.619,585 4.815,586 5.221,587 5.221,588 5.221,589 2.785,590 4.348,591 4.874,592 3.666,593 1594.54,594 8.505,595 21993.3,597 1,600 347.076,601 1.615,602 4.82,603 0.227,604 0.007,605 0.088,606 0.051,607 0.043,608 0.033,609 0.018,610 0.016,611 0.009,612 0.006,613 0.5,614 0.33,615 1,616 0.855,617 153.83,618 0.012,619 -0.098,620 0.056,621 -0.011,622 -0.056,623 0.019,624 0.089,625 0.115,626 0.123,627 0.135,628 0.105,629 0.134,630 -0.1,631 -0.089,632 -0.105,633 -0.087,634 -0.07,635 -0.095,636 0.005,637 -0.081,638 -0.057,639 -0.088,640 0.006,641 -0.08,642 -0.1,643 -0.058,644 -0.144,645 -0.107,646 -0.102,647 -0.124,648 0.129,649 -0.022,650 0.089,651 0.01,652 0.11,653 0.041,654 -0.119,655 0.032,656 -0.089,657 -0.025,658 -0.088,659 -0.048,660 0.105,661 0.154,662 0.186,663 0.16,664 0.09,665 0.176,666 1.711,667 4.926,668 0.633,669 29.387,670 0.985,671 1.12,672 3.839,673 14.738,674 0.667,675 3.526,676 3.892,677 4.205,678 4.533,679 4.812,680 4.97,681 5.05,682 5.153,683 5.136,684 5.17,685 6.909,686 0.621,687 399.58,688 3.526,689 5.094,690 5.969,691 6.884,692 7.786,693 8.714,694 9.628,695 10.564,696 11.484,697 12.426,698 5.1,704 1,705 1,707 1,715 4,720 2,722 6,736 1,741 59,743 13,744 1,745 33,747 62,748 26,749 6,750 2,751 4,752 8,756 4,757 7,763 2,767 2,768 2,770 2,772 18,773 8,774 2,777 7,782 1,784 7,785 1,786 5,793 29,794 4,795 1,796 4,802 3,808 0.5,809 1,829 4,831 1,833 1,835 1,839 1,843 1,849 7,850 3,859 2,864 4,868 30,876 2,877 1,880 1,881 1,882 1,893 1.7,896 1,901 15.75,902 11.817,903 6.583,904 3.546,907 3.161,908 1.403,909 0.971,910 5.554,911 10.999,912 3.784,913 4.337,914 4.877,915 5.402,916 5.931,917 6.223,918 6.523,919 6.801,920 7.108,921 7.387,922 0.875,923 54,924 11.109,926 4.703,927 0.026,929 7.558,931 21.717,933 18.193,936 2.058,937 61.75,940 1,941 329.591,942 166.283,943 37.921,945 25.145,948 166.283,949 354.736,950 37.921,951 34.443,952 23.08,953 94.762,954 53.425,955 35.409,957 317.82,959 329.591,960 204.203,961 25.145,964 282.506,965 72.229,968 57.516,969 78.026,970 68.662,972 329.591,973 63.066,974 166.283,977 329.591,978 28.03,979 141.377,980 18.011,981 41.93,982 329.591,983 63.066,984 166.283,986 0.587,987 0.351,988 0.2,989 0.113,990 24,991 11,992 0.065,993 4,994 3,995 1.263,996 4.02,997 276.298,998 0.316,999 18,1000 141.207,1005 20.467,1006 8.141,1007 3.846,1009 63.066,1010 8.446,1015 2.322,1017 18.011,1018 558.939,1019 43,1024 11.926,1026 14.137,1027 5.118,1028 4.772,1031 58.12,1032 66.102,1034 0.228,1035 0.615,1036 0.818,1037 0.888,1038 0.888,1039 0.888,1040 5.066,1041 1.552,1042 5.999,1043 5.658,1044 4.575,1045 5.024,1046 2.327,1047 6.915,1048 4.542,1049 6.294,1050 1.283,1051 7.627,1052 3.62,1053 4.369,1054 4.82,1055 0.914,1056 8.295,1057 4.316,1058 7.627,1059 1.204,1060 9.377,1061 3.227,1062 6.293,1063 7.138,1064 2.385,1065 11.456,1066 6.227,1067 8.996,1068 1,1069 11.209,1070 2.881,1071 6.929,1072 7.719,1073 1.545,1074 13.782,1075 6.838,1076 10.401,1077 0.992,1078 13.102,1079 2.275,1080 8.39,1081 9.526,1082 2.682,1083 16.614,1084 8.288,1085 11.833,1086 0.446,1087 15.041,1088 2.271,1089 9.41,1090 10.493,1091 2.223,1092 19.247,1093 9.286,1094 13.288,1095 0.126,1096 17.015,1097 0.987,1098 10.733,1099 12.08,1100 3.113,1101 22.013,1102 10.596,1103 3.699,1104 -0.138,1105 19.017,1106 0.357,1107 11.921,1108 13.254,1109 2.92,1110 24.73,1111 11.765,1112 2.784,1113 15.599,1114 21.04,1115 -0.235,1116 13.214,1117 14.741,1118 3.627,1119 27.482,1120 13.044,1121 2.653,1122 8.706,1123 23.08,1124 4.171,1125 14.471,1126 16.026,1127 3.618,1128 30.221,1129 14.285,1130 2.477,1131 8.227,1132 25.131,1133 3.709,1134 15.764,1135 17.469,1136 4.197,1137 32.969,1138 15.563,1139 2.369,1140 8.153,1141 27.191,1142 3.353,1143 17.049,1144 18.813,1145 4.31,1146 35.714,1147 16.832,1148 2.133,1149 6.789,1150 29.258,1151 3,1152 18.347,1153 20.238,1154 4.803,1155 38.462,1156 18.115,1157 2,1158 6,1159 31.33,1160 2.898,1161 19.644,1162 21.615,1163 4.996,1164 41.208,1165 19.396,1166 11171,1167 16584,1168 21.671,1169 39.37,1170 51.735,1171 50.717,1172 52.842,1173 49.435,1174 49.435,1175 62.112,1176 10.722,1177 149.496,1178 48.601,1179 5.827,1180 6.145,1181 7.695,1182 5.722,1183 5.699,1184 7.171,1185 2.527,1186 24.202,1187 5.639,1188 16.47,1189 1.568,1190 1.537,1191 1.601,1192 1.498,1193 1.498,1194 1.882,1195 0.325,1196 4.53,1197 1.473,1198 4.083,1199 4.114,1200 4.029,1201 4.013,1202 7.43,1203 4.012,1204 3.94,1205 3.973,1206 3.879,1207 3.876,1208 4.851,1209 3.872,1210 3.701,1211 3.736,1212 3.635,1213 3.581,1214 4.727,1215 3.587,1216 3.569,1217 3.634,1218 3.47,1219 3.428,1220 4.5,1221 3.431,1222 3.449,1223 3.515,1224 3.301,1225 3.337,1226 4.364,1227 3.32,1228 3.384,1229 3.464,1230 3.235,1231 3.178,1232 4.206,1233 3.18,1234 3.24,1235 3.31,1236 3.077,1237 3.1,1238 4.177,1239 3.084,1240 3.114,1241 3.174,1242 2.994,1243 2.964,1244 3.88,1245 2.963,1246 0.147,1247 0.126,1248 0.244,1249 0.142,1250 0.112,1251 4.861,1252 0.126,1253 4.145,1254 0.042,1255 8.052,1256 0.473,1257 4.683,1258 0.11,1259 3.699,1260 4.171,1261 1.398,1262 15.599,1263 3.639,1264 2.043,1265 2.016,1266 2.146,1267 2.132,1268 1.471,1269 2.138,1270 1.93,1271 1.902,1272 2.041,1273 2.022,1274 1.141,1275 2.03,1276 1.667,1277 1.634,1278 1.811,1279 1.82,1280 0.949,1281 1.816,1282 1.546,1283 1.489,1284 1.764,1285 1.739,1286 0.845,1287 1.753,1288 1.476,1289 1.415,1290 1.751,1291 1.643,1292 0.826,1293 1.684,1294 1.364,1295 1.279,1296 1.62,1297 1.581,1298 0.791,1299 1.598,1300 1.261,1301 1.194,1302 1.556,1303 1.452,1304 0.627,1305 1.492,1306 1.101,1307 1.042,1308 1.417,1309 1.301,1310 0.552,1311 1.334,1312 4.205,1314 5.557,1316 7.125,1318 8.812,1320 10.57,1322 8.361,1328 1.665,1329 3.063,1332 0.286,1333 2.09,1334 -0.435,1340 36.627,1341 79.228,1342 213.535,1343 284.056,1344 308.056,1345 308.056,1346 308.056,1347 50.863,1348 7.838,1349 48.46,1350 48.46,1351 24,1352 12.925,1353 3.807,1354 3.459,1355 47.16,1356 118,1357 146,1358 0.187,1359 225.703,1360 413.41,1361 542.475,1362 27463,1364 21.303,1365 0.71,1366 0.605,1367 21.303,1368 18.145,1369 14.425,1370 0.437,1371 0.318,1372 10.403,1373 14.11,1374 9.946,1375 8.346,1376 14.425,1377 10.487,1378 13.344,1379 0.278,1380 0.176,1381 13.344,1382 8.443,1383 11.108,1384 0.168,1385 0.093,1386 11.108,1387 6.158,1388 9.869,1389 0.107,1390 0.053,1391 9.869,1392 4.86,1393 8.101,1394 0.066,1395 0.028,1396 8.101,1397 3.459,1398 0.295,1399 88.705,1400 0.215,1401 28.241,1402 0.512,1403 162,1404 371.359,1405 170.07,1406 372.831,1407 521.04,1408 350,1409 195,1410 390.467,1411 203.156,1412 405.603,1413 593.21,1414 380,1415 7.398}
{0 CHEMBL606538,1 1.376,2 11.655,3 4.155,4 17.262,5 121.179,6 7.028,7 0.188,8 4.082,9 4.198,10 3.607,11 3.679,12 5.146,13 3.637,14 4.625,15 4.789,16 3.988,17 4.086,18 5.642,19 4.026,20 4.906,21 5.089,22 4.134,23 4.289,24 5.9,25 4.213,26 5.043,27 5.264,28 4.115,29 4.349,30 5.954,31 4.242,32 5.1,33 5.342,34 4.011,35 4.367,36 5.984,37 4.227,38 5.069,39 5.324,40 3.946,41 4.301,42 5.991,43 4.148,44 4.951,45 5.204,46 3.798,47 4.176,48 5.871,49 4.024,50 4.856,51 5.125,52 3.622,53 3.994,54 5.758,55 3.833,56 0.039,57 0.733,58 11.684,59 5.343,60 10.248,61 7.086,62 0.17,63 1.224,64 21.494,65 9.044,66 25.311,67 12.21,68 0.218,69 1.614,70 29.184,71 11.605,72 39.431,73 15.764,74 0.289,75 1.848,76 34.404,77 13.373,78 41.7,79 18.669,80 0.29,81 1.941,82 36.818,83 14.24,84 48.251,85 20.243,86 0.318,87 1.786,88 36.125,89 14.912,90 52.294,91 21.027,92 0.231,93 1.599,94 32.115,95 12.918,96 46.178,97 18.13,98 0.21,99 1.417,100 29.778,101 11.685,102 42.44,103 16.449,104 23,105 46,106 0.226,107 0.616,108 0.812,109 0.874,110 0.874,111 0.874,112 3.409,113 0.939,114 -5.13,115 -5.03,116 -4.71,121 45.5,122 2,123 2,124 1,127 1,132 1,136 1,137 5,138 3,140 1,144 4,145 1,146 1,157 1,160 1,176 15,180 8,183 1,185 3,187 18,192 10,197 2,200 16,206 10,209 1,211 3,214 21,219 1,224 2,227 22,231 2,232 3,237 3,239 26,244 2,249 2,251 19,256 7,261 2,264 10,269 7,281 1492,282 19.789,283 19.789,284 19.789,285 19.789,286 19.789,287 17.63,288 25.871,289 11.625,290 20.002,291 15.699,292 15.699,293 15.699,294 15.699,295 15.699,296 12.467,297 31.875,298 5.367,299 16.049,300 4.406,301 2.034,302 0.841,303 0.464,304 0.464,305 0.464,306 4.106,311 1,312 1,313 731,314 3.606,318 286.936,320 88.283,322 113.662,324 134.572,325 1.577,326 22.333,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 61,338 338,339 4.862,340 4.145,341 8.052,342 4.683,343 3.699,344 4.174,345 1.398,346 15.6,347 3.639,348 4.063,349 3.481,350 6.179,351 3.647,352 2.669,353 3.665,354 1.151,355 8.706,356 2.615,357 4.02,358 2.941,359 5.874,360 3.623,361 2.642,362 3.351,363 1.081,364 8.162,365 2.59,366 3.708,367 2.905,368 5.49,369 3.46,370 2.473,371 2.939,372 0.717,373 7.38,374 2.438,375 3.544,376 2.735,377 5.131,378 3.152,379 2.199,380 2.816,381 0.68,382 6.37,383 2.139,384 3.483,385 2.567,386 5.112,387 3.135,388 2.133,389 2.67,390 0.473,391 6,392 2.078,393 3.399,394 2.461,395 4.953,396 3.015,397 1.997,398 2.488,399 0.212,400 5.655,401 2.021,402 2.822,403 1.922,404 4.322,405 2.389,406 1.433,407 1.771,409 3.532,410 1.362,411 2.735,412 1.541,413 4.083,414 2.257,415 1.28,416 1.638,418 2.739,419 1.248,420 2.509,421 1.48,422 3.513,423 2.047,424 1.065,425 1.5,427 2.538,428 1.044,429 2.5,430 1.191,431 3.414,432 2,433 1,434 1.353,436 2.275,437 1,438 2.228,439 1,440 3.408,441 1.65,442 0.694,443 0.963,445 1.495,446 0.66,447 1.754,448 0.764,449 3.24,450 1.22,451 0.3,452 0.401,454 0.506,455 0.273,456 1.525,457 0.697,458 2.949,459 1.129,460 0.126,461 0.151,463 0.356,464 0.126,465 1.065,466 0.441,467 2.688,468 0.862,469 -0.142,470 -0.152,472 -0.241,473 -0.142,474 13.967,475 0.482,476 0.706,477 0.024,478 33.25,479 1.147,480 15.5,481 0.534,482 17.75,483 0.612,484 28.502,485 0.983,486 30.433,487 0.553,488 26.101,489 0.9,490 6.676,491 0.23,492 7.376,493 0.254,494 0.131,495 0.036,496 0.286,501 0.743,502 1.143,503 0.833,504 1.035,505 0.689,506 0.955,507 0.862,508 1.094,509 0.851,510 0.984,511 0.618,512 0.928,513 1.141,514 1.159,515 1.021,516 1.043,517 0.922,518 1.02,519 0.938,520 1.093,521 1.021,522 1.012,523 0.713,524 1.019,525 0.82,526 1.006,527 1.103,528 1.026,529 0.84,530 1.07,531 0.522,532 0.959,533 0.909,534 1.01,535 0.731,536 1.006,537 0.783,538 0.988,539 1.01,540 1.032,541 1.019,542 1.041,543 0.828,544 1.011,545 0.954,546 1.043,547 0.944,548 1.016,549 7,550 0.107,551 3.778,552 2.375,553 2.173,554 1.382,555 0.693,556 0.505,557 0.274,558 0.234,559 10020,560 23912,561 2.082,562 47.3,563 7,564 13,566 1,567 1,569 4,572 1.722,573 1.944,574 3.357,575 -0.439,577 1,582 75.667,583 1.376,584 3.747,585 4.94,586 5.318,587 5.318,588 5.318,589 2.835,590 4.513,591 4.819,592 3.576,593 1451.82,594 8.418,595 18973.2,597 1,600 317.975,601 1.548,602 4.781,603 0.219,604 0.006,605 0.082,606 0.046,607 0.043,608 0.031,609 0.017,610 0.014,611 0.01,612 0.012,613 0.48,614 0.33,615 1,616 1.163,617 145.598,618 -0.003,619 -0.037,620 0.053,621 0.001,622 -0.071,623 0.029,624 0.075,625 -0.033,626 0.084,627 0.024,628 0.071,629 0.047,630 -0.098,631 -0.099,632 -0.065,633 -0.058,634 -0.049,635 -0.059,636 -0.055,637 -0.049,638 -0.059,639 -0.04,640 -0.012,641 -0.051,642 -0.105,643 0.031,644 -0.146,645 -0.058,646 -0.095,647 -0.094,648 0.143,649 -0.008,650 0.05,651 -0.01,652 0.087,653 0.005,654 -0.032,655 -0.019,656 -0.044,657 -0.043,658 -0.041,659 -0.043,660 0.026,661 -0.071,662 0.033,663 -0.062,664 0.018,665 -0.019,666 1.722,667 4.925,668 0.655,669 27.829,670 0.99,671 1.116,672 3.903,673 15.231,674 0.674,675 3.497,676 3.85,677 4.174,678 4.522,679 4.828,680 4.997,681 5.118,682 5.263,683 5.298,684 5.357,685 6.426,686 0.633,687 386.53,688 3.497,689 5.056,690 5.932,691 6.849,692 7.755,693 8.687,694 9.606,695 10.547,696 11.474,697 12.421,698 3.6,705 1,707 1,715 4,720 2,722 6,725 1,739 1,741 55,743 13,744 1,745 32,747 58,748 25,749 6,750 2,751 4,752 6,756 4,757 7,763 2,767 2,768 2,770 2,772 18,773 7,774 2,777 7,778 1,782 1,784 6,785 1,786 5,790 1,793 26,794 4,795 1,796 4,802 2,808 0.5,809 2,829 4,831 1,833 1,835 1,843 1,848 1,849 6,850 3,859 2,864 2,868 29,876 3,877 1,878 1,880 1,882 1,893 3.6,896 1,898 1,901 14.917,902 10.45,903 6.472,904 3.332,907 2.695,908 1.344,909 0.97,910 5.318,911 10.525,912 3.761,913 4.297,914 4.83,915 5.368,916 5.914,917 6.219,918 6.555,919 6.906,920 7.244,921 7.542,922 0.875,923 52,924 10.735,926 4.579,927 0.026,929 7.629,931 20.817,933 17.482,936 2.129,937 61.75,940 1,941 294.278,942 162.86,943 34.796,945 36.145,948 162.86,949 330.422,950 34.796,951 17.65,952 43.439,953 85.286,954 53.425,955 45.771,957 282.506,959 294.278,960 197.656,961 36.145,964 247.193,965 83.229,968 62.108,969 76.362,970 59.185,972 294.278,973 70.941,974 162.86,977 294.278,978 35.109,979 111.984,980 18.011,981 68.697,982 294.278,983 70.941,984 162.86,986 0.577,987 0.346,988 0.202,989 0.12,990 23,991 10,992 0.086,993 5,994 3,995 1.263,996 3.922,997 268.093,998 0.316,999 18,1000 136.881,1005 19.509,1006 7.905,1007 3.62,1009 70.941,1010 7.904,1015 1.826,1017 18.011,1018 528.078,1019 42,1020 3.67,1024 11.925,1026 11.761,1027 5.157,1028 4.701,1031 54.461,1032 61.398,1034 0.238,1035 0.648,1036 0.855,1037 0.92,1038 0.92,1039 0.92,1040 5.034,1041 1.433,1042 5.953,1043 5.655,1044 4.533,1045 4.984,1046 2.48,1047 6.87,1048 4.494,1049 6.252,1050 1.28,1051 7.577,1052 3.532,1053 4.29,1054 4.771,1055 0.747,1056 8.257,1057 4.247,1058 7.583,1059 1.065,1060 9.325,1061 2.739,1062 6.248,1063 7.094,1064 2.632,1065 11.428,1066 6.175,1067 8.951,1068 1,1069 11.158,1070 2.538,1071 6.868,1072 7.681,1073 1.478,1074 13.765,1075 6.786,1076 10.356,1077 0.694,1078 13.054,1079 2.275,1080 8.346,1081 9.484,1082 2.944,1083 16.603,1084 8.242,1085 11.789,1086 0.3,1087 14.998,1088 1.495,1089 9.365,1090 10.46,1091 2.2,1092 19.241,1093 9.248,1094 13.246,1095 0.126,1096 16.978,1097 0.506,1098 10.699,1099 12.043,1100 3.349,1101 22.01,1102 10.564,1103 3.699,1104 -0.142,1105 18.986,1106 0.356,1107 11.891,1108 13.224,1109 2.913,1110 24.728,1111 11.741,1112 2.669,1113 15.6,1114 21.015,1115 -0.241,1116 13.191,1117 14.71,1118 3.821,1119 27.481,1120 13.024,1121 2.642,1122 8.706,1123 23.06,1124 4.174,1125 14.452,1126 16,1127 3.616,1128 30.221,1129 14.27,1130 2.473,1131 8.162,1132 25.115,1133 3.665,1134 15.75,1135 17.443,1136 4.346,1137 32.97,1138 15.551,1139 2.199,1140 7.38,1141 27.179,1142 3.351,1143 17.038,1144 18.791,1145 4.309,1146 35.715,1147 16.824,1148 2.133,1149 6.37,1150 29.249,1151 2.939,1152 18.339,1153 20.218,1154 4.914,1155 38.462,1156 18.109,1157 1.997,1158 6,1159 31.323,1160 2.816,1161 19.639,1162 21.598,1163 4.996,1164 41.209,1165 19.392,1166 9716,1167 15100,1168 21.266,1169 37.057,1170 49.557,1171 48.978,1172 50.939,1173 47.339,1174 47.417,1175 59.763,1176 11.424,1177 142.626,1178 46.466,1179 5.828,1180 6.145,1181 7.916,1182 5.723,1183 5.699,1184 7.174,1185 2.549,1186 24.202,1187 5.639,1188 14.272,1189 1.549,1190 1.531,1191 1.592,1192 1.479,1193 1.482,1194 1.868,1195 0.357,1196 4.457,1197 1.452,1198 4.085,1199 4.115,1200 4.033,1201 4.015,1202 7.43,1203 4.015,1204 3.904,1205 3.926,1206 3.846,1207 3.834,1208 4.924,1209 3.833,1210 3.699,1211 3.734,1212 3.633,1213 3.581,1214 4.767,1215 3.587,1216 3.565,1217 3.617,1218 3.433,1219 3.427,1220 4.662,1221 3.419,1222 3.449,1223 3.515,1224 3.304,1225 3.339,1226 4.415,1227 3.322,1228 3.304,1229 3.366,1230 3.206,1231 3.148,1232 4.36,1233 3.153,1234 3.234,1235 3.302,1236 3.076,1237 3.083,1238 4.182,1239 3.074,1240 3.004,1241 3.053,1242 2.906,1243 2.849,1244 4.078,1245 2.854,1246 0.152,1247 0.13,1248 0.252,1249 0.146,1250 0.116,1251 4.862,1252 0.13,1253 4.145,1254 0.044,1255 8.052,1256 0.487,1257 4.683,1258 0.114,1259 3.699,1260 4.174,1261 1.398,1262 15.6,1263 3.639,1264 2.045,1265 2.018,1266 2.147,1267 2.134,1268 1.472,1269 2.14,1270 1.89,1271 1.869,1272 1.998,1273 1.985,1274 1.084,1275 1.989,1276 1.666,1277 1.633,1278 1.811,1279 1.819,1280 0.949,1281 1.816,1282 1.56,1283 1.508,1284 1.798,1285 1.732,1286 0.841,1287 1.756,1288 1.476,1289 1.416,1290 1.751,1291 1.642,1292 0.816,1293 1.684,1294 1.283,1295 1.222,1296 1.559,1297 1.468,1298 0.791,1299 1.496,1300 1.227,1301 1.168,1302 1.455,1303 1.442,1304 0.573,1305 1.453,1306 0.976,1307 0.927,1308 1.273,1309 1.204,1310 0.315,1311 1.231,1312 4.174,1314 5.517,1316 7.084,1318 8.774,1320 10.538,1322 4.26,1328 2.122,1329 3.055,1330 5.562,1332 0.27,1334 -0.464,1340 34.794,1341 75.667,1342 206.095,1343 271.71,1344 292.465,1345 292.465,1346 292.465,1347 49.619,1348 7.83,1349 54.45,1350 54.45,1351 24,1352 12.916,1353 3.807,1354 3.459,1355 44.659,1356 104,1357 162,1358 0.202,1359 213.313,1360 393.9,1361 512.243,1362 25904,1364 20.433,1365 0.705,1366 0.584,1367 20.433,1368 16.943,1369 14.052,1370 0.439,1371 0.313,1372 9.931,1373 13.72,1374 9.588,1375 7.987,1376 14.052,1377 10.012,1378 12.641,1379 0.275,1380 0.168,1381 12.641,1382 7.746,1383 10.72,1384 0.167,1385 0.09,1386 10.72,1387 5.761,1388 9.613,1389 0.106,1390 0.051,1391 9.613,1392 4.642,1393 8.187,1394 0.066,1395 0.027,1396 8.187,1397 3.408,1398 0.313,1399 86.633,1400 0.217,1401 27.214,1402 0.57,1403 156,1404 387.449,1405 165.865,1406 380.649,1407 529.15,1408 358,1409 188,1410 393.809,1411 197.48,1412 403.132,1413 594.28,1414 380,1415 7.509}
{0 CHEMBL60745,1 1.335,2 4.833,3 0.623,4 0.389,5 49.007,6 5.938,7 0.5,8 3.379,9 3.525,10 2.733,11 2.824,12 4.395,13 2.765,14 3.911,15 4.147,16 3.054,17 3.197,18 4.799,19 3.122,20 4.175,21 4.4,22 3.074,23 3.427,24 5.086,25 3.29,26 4.369,27 4.663,28 2.837,29 3.431,30 5.134,31 3.2,32 4.273,33 4.61,34 2.558,35 3.173,36 5.012,37 2.923,38 3.838,39 4.129,40 1.808,41 2.64,42 4.787,43 2.379,44 3.27,45 3.667,46 0.637,47 1.821,48 3.871,49 1.435,50 1.844,51 2.277,52 0.042,53 0.626,54 1.946,55 0.348,56 0.043,57 0.375,58 7.027,59 2.513,60 7.051,61 3.773,62 0.109,63 0.581,64 11.728,65 3.753,66 10.274,67 5.896,68 0.123,69 0.721,70 15.06,71 5.505,72 16.847,73 8.159,74 0.168,75 0.756,76 17.289,77 6.577,78 21.711,79 9.742,80 0.13,81 0.604,82 15.314,83 5.439,84 22.361,85 8.162,86 0.163,87 0.35,88 10.311,89 3.206,90 28.987,91 4.692,92 0.081,93 0.16,94 5.268,95 1.588,96 13.121,97 2.465,98 0.011,99 0.03,100 1.01,101 0.324,102 1.572,103 0.529,104 19,105 17,106 0.27,107 0.566,108 0.738,109 0.795,110 0.795,111 0.795,112 2.598,113 1.089,114 0.25,115 0.09,116 -0.13,121 35.7,122 1,126 2,127 1,144 4,146 2,176 2,185 2,187 3,189 3,197 1,200 1,203 1,211 1,213 1,214 2,216 1,227 1,237 1,239 1,281 116,282 7.533,283 7.533,284 7.533,285 7.533,286 7.533,287 6.795,288 10.552,289 4.268,290 7.743,291 5.8,292 5.8,293 5.8,294 5.8,295 5.8,296 4.732,297 14.698,298 1.91,299 6.13,300 3.472,301 2.002,302 1.152,303 0.867,304 0.867,305 0.867,306 3.184,311 1,312 1,313 110,314 2.828,318 39.133,325 0.722,326 7.323,329 1,330 0.83,331 0.83,332 0.9,333 1,334 1,335 1,336 0.94,337 25.5,338 58,339 4.488,340 3.71,341 7.289,342 4.292,343 3.372,344 3.87,345 1.2,346 12.355,347 3.103,348 3.744,349 2.623,350 5.215,351 3.348,352 2.391,353 3.072,355 6.494,356 2.278,357 2.916,358 1.728,359 4.58,360 2.519,361 1.556,362 2.054,364 4.321,365 1.491,366 2.589,367 1.161,368 3.489,369 2.121,370 1.128,371 1.628,373 2.534,374 1.119,375 1.395,376 0.502,377 3.098,378 1.348,379 0.375,380 0.381,382 0.498,383 0.364,384 0.932,385 -0.057,386 2.571,387 0.528,388 -0.403,389 -0.508,391 -0.895,392 -0.369,393 0.633,394 -0.6,395 2,396 0.198,397 -0.775,398 -1,400 -2.164,401 -0.75,403 -0.636,404 2,405 -0.1,406 -1,407 -1.007,409 -3,410 -0.9,411 -0.072,412 -1.157,413 1.602,414 -0.417,415 -1.346,416 -1.482,418 -3.4,419 -1.261,420 -0.428,421 -1.212,422 1.074,423 -0.542,424 -1.468,425 -1.802,426 -0.4,427 -4.196,428 -1.361,429 -0.5,430 -1.603,431 0.633,432 -0.895,433 -1.83,434 -2.205,435 -0.4,436 -5.407,437 -1.715,438 -0.696,439 -2,440 0.45,441 -1,442 -2,443 -3,444 -0.4,445 -7.138,446 -2,474 5.733,475 0.478,476 0.44,477 0.037,478 13.75,479 1.146,480 6.5,481 0.542,482 7.25,483 0.604,484 8.155,485 0.68,486 14.367,487 0.513,488 8.324,489 0.694,490 2.848,491 0.237,492 2.711,493 0.226,494 0.32,495 0.07,496 0.174,501 1.096,502 1.673,503 1.081,504 1.337,505 1.083,506 1.225,507 1.102,508 0.93,509 0.922,510 0.792,511 0.473,512 0.8,513 1.057,514 1.231,515 1.225,516 1.238,517 0.886,518 1.241,519 0.46,520 1.109,521 1.002,522 1.174,523 0.635,524 1.156,525 0.66,526 0.821,527 0.779,528 0.887,529 0.697,530 0.852,531 2.23,532 0.94,533 1.384,534 1.032,535 2.634,536 1.129,537 1.286,538 0.364,539 0.692,540 0.405,541 1.535,542 0.488,549 4,551 2,552 0.875,553 0.6,554 0.271,555 0.04,559 654,560 1357,561 1.799,562 57.1,564 12,567 1,569 3,572 1.462,573 1.618,574 2.387,575 -0.244,579 1,582 37.387,583 1.335,584 2.805,585 3.655,586 3.941,587 3.941,588 3.941,589 1.825,590 3.252,591 3.56,592 2.4,593 158.37,594 5.875,595 1116.3,597 1,600 134.606,601 1.784,602 3.439,603 0.333,605 0.118,606 0.055,607 0.055,608 0.034,609 0.02,613 0.614,614 1,615 1,616 1.425,617 41.255,618 -0.035,619 -0.351,620 0.018,621 -0.129,622 -0.157,623 -0.069,624 -0.091,625 0.276,626 0.134,627 0.226,628 0.141,629 0.218,630 -0.132,631 -0.091,632 -0.214,633 -0.16,634 -0.049,635 -0.188,636 0.126,637 -0.162,638 -0.096,639 -0.184,640 -0.019,641 -0.17,642 0.07,643 0.001,644 0.111,645 0.004,646 0.099,647 0.058,648 -0.331,649 -0.16,650 -0.371,651 -0.177,652 -0.38,653 -0.273,654 -0.074,655 0.221,656 0.183,657 0.299,658 -0.126,659 0.269,660 0.279,661 0.478,662 0.736,663 0.634,664 0.282,665 0.724,666 1.327,667 3.262,668 0.5,669 4.722,670 0.984,671 1.136,672 -1.484,673 2.201,674 0.613,675 2.565,676 2.89,677 2.996,678 2.996,679 3.091,680 2.708,681 2.485,682 1.386,685 3.191,686 0.56,687 166.27,688 2.565,689 4.078,690 4.875,691 5.74,692 6.567,693 7.43,694 8.266,695 9.126,696 9.967,697 10.824,698 3.6,712 1,715 4,720 2,722 6,738 1,741 28,743 6,744 1,745 12,747 28,748 10,749 6,750 2,751 4,756 1,757 1,763 1,772 6,773 4,793 16,794 1,795 1,796 2,802 1,803 1,807 1,808 1,809 1,829 1,859 1,864 3,868 12,875 1,876 1,883 1,893 3.6,895 1,901 7.417,902 5.783,903 2.708,904 1.793,907 1.184,908 1.244,909 0.843,910 2.503,911 6.044,912 2.773,913 3.314,914 3.744,915 4.153,916 4.588,917 4.328,918 4.275,919 3.056,922 1,923 16,924 4.414,925 0.006,926 1.713,927 0.026,929 7.694,931 8.54,932 0.002,933 6.538,934 0.004,936 2.194,937 26.333,938 0.014,941 176.567,942 68.385,945 42.683,948 68.385,949 219.25,951 25.618,952 2.106,953 37.905,954 42.683,955 2.757,957 176.567,959 176.567,960 68.385,961 42.683,964 141.253,965 77.997,968 10.931,969 57.454,972 176.567,973 42.683,974 68.385,977 176.567,978 4.862,979 63.523,981 42.683,982 176.567,983 42.683,984 68.385,986 0.591,987 0.336,988 0.14,989 0.074,990 8,991 4,992 0.071,993 2,995 1,996 2.241,997 65.045,999 6,1000 41.02,1005 9.233,1006 3.254,1007 2.068,1009 42.683,1010 7.409,1015 1.477,1017 42.683,1018 287.635,1019 15,1031 27.556,1032 31.822,1034 0.278,1035 0.584,1036 0.76,1037 0.82,1038 0.82,1039 0.82,1040 3.998,1041 -1,1042 4.963,1043 -2.164,1044 3.555,1045 3.989,1046 1.072,1047 5.844,1048 3.444,1049 5.243,1050 -1.346,1051 6.603,1052 -3,1053 3.611,1054 3.951,1055 0.931,1056 7.368,1057 3.357,1058 6.587,1059 -1.468,1060 8.373,1061 -3.4,1062 5.333,1063 6.134,1064 1.148,1065 10.291,1066 5.067,1067 7.969,1068 -1.83,1069 10.22,1070 -4.196,1071 6.133,1072 6.765,1073 1.241,1074 12.528,1075 5.716,1076 9.38,1077 -2,1078 12.114,1079 -5.407,1080 7.492,1081 8.554,1082 1.386,1083 15.152,1084 7.045,1085 10.811,1087 14.039,1088 -7.138,1089 8.558,1090 9.492,1091 1.521,1092 17.585,1093 7.98,1094 12.257,1096 15.983,1098 9.811,1099 11.095,1100 1.668,1101 20.132,1102 9.18,1103 3.372,1105 17.941,1107 10.972,1108 12.199,1109 1.818,1110 22.622,1111 10.229,1112 2.391,1113 12.355,1114 19.908,1116 12.195,1117 13.701,1118 1.973,1119 25.147,1120 11.383,1121 1.556,1122 6.494,1123 21.881,1124 3.87,1125 13.389,1126 14.903,1127 2.132,1128 27.653,1129 12.48,1130 1.128,1131 4.321,1132 23.858,1133 3.072,1134 14.605,1135 16.345,1136 2.294,1137 30.171,1138 13.619,1139 0.375,1140 2.534,1141 25.838,1142 2.054,1143 15.812,1144 17.605,1145 2.46,1146 32.682,1147 14.735,1148 -0.403,1149 0.498,1150 27.819,1151 1.628,1152 17.026,1153 19.012,1154 2.628,1155 35.198,1156 15.869,1157 -0.775,1158 -0.895,1159 29.802,1160 0.381,1161 18.238,1162 20.308,1163 2.798,1164 37.711,1165 16.994,1166 775,1167 1164,1168 7.049,1169 17.171,1170 17.764,1171 17.4,1172 19.007,1173 17.754,1174 17.644,1175 22.007,1176 2.4,1177 52.402,1178 16.712,1179 5.183,1180 5.71,1181 6.839,1182 5.292,1183 5.372,1184 6.87,1185 1.6,1186 19.493,1187 5.103,1188 7.02,1189 1.48,1190 1.45,1191 1.584,1192 1.48,1193 1.47,1194 1.834,1195 0.2,1196 4.367,1197 1.393,1198 3.985,1199 4.034,1200 3.915,1201 3.868,1202 6.471,1203 3.873,1204 3.635,1205 3.699,1206 3.502,1207 3.45,1208 4.664,1209 3.452,1210 3.201,1211 3.309,1212 2.929,1213 2.989,1214 4.251,1215 2.96,1216 2.933,1217 3.009,1218 2.803,1219 2.746,1220 3.812,1221 2.749,1222 2.874,1223 2.971,1224 2.56,1225 2.618,1226 3.527,1227 2.584,1228 2.738,1229 2.81,1230 2.499,1231 2.602,1232 3.467,1233 2.57,1234 2.321,1235 2.482,1236 1.886,1237 2.001,1238 3.34,1239 1.946,1240 2.181,1241 2.27,1242 1.872,1243 1.608,1244 2.673,1245 1.666,1246 0.374,1247 0.309,1248 0.607,1249 0.358,1250 0.281,1251 4.488,1252 0.323,1253 3.71,1254 0.1,1255 7.289,1256 1.03,1257 4.292,1258 0.259,1259 3.372,1260 3.87,1261 1.2,1262 12.355,1263 3.103,1264 1.935,1265 1.898,1266 2.072,1267 2.095,1268 1.286,1269 2.092,1270 1.615,1271 1.543,1272 1.851,1273 1.809,1274 0.955,1275 1.825,1276 1.235,1277 1.131,1278 1.626,1279 1.495,1280 0.716,1281 1.548,1282 0.934,1283 0.839,1284 1.417,1285 1.239,1286 0.469,1287 1.308,1288 0.883,1289 0.804,1290 1.141,1291 1.141,1292 0.183,1293 1.131,1294 0.756,1295 0.693,1296 1.049,1297 0.956,1298 0.13,1299 0.995,1300 0.383,1301 0.225,1302 0.936,1303 0.747,1304 0.058,1305 0.822,1306 0.025,1308 0.582,1309 0.58,1311 0.593,1312 3.219,1314 4.533,1316 6.057,1318 7.662,1320 9.303,1322 6.369,1327 9.262,1328 1.017,1335 0.8,1340 15.687,1341 37.387,1342 78.552,1343 102.341,1344 110.341,1345 110.341,1346 110.341,1347 16.718,1348 4.86,1349 20.23,1350 20.23,1351 6,1352 11.379,1353 2.807,1354 2,1355 21.764,1356 22,1357 20,1358 0.532,1359 102.773,1360 171.49,1361 242.525,1362 469,1364 9.19,1365 0.766,1366 0.664,1367 9.19,1368 7.964,1369 5.56,1370 0.463,1371 0.363,1372 4.287,1373 5.343,1374 4.064,1375 3.499,1376 5.56,1377 4.356,1378 5.311,1379 0.312,1380 0.223,1381 5.311,1382 3.788,1383 3.953,1384 0.208,1385 0.132,1386 3.953,1387 2.512,1388 2.433,1389 0.128,1390 0.06,1391 2.433,1392 1.131,1393 1.86,1394 0.089,1395 0.033,1396 1.86,1397 0.698,1398 0.756,1399 34.757,1400 0.377,1401 11.853,1402 1.691,1403 58,1404 126.483,1405 62.546,1406 126.342,1407 169.6,1408 116,1409 65,1410 125.284,1411 70.158,1412 129.832,1413 182.37,1414 120,1415 8.448}
{0 CHEMBL60874,1 1.31,2 7.118,3 1.858,4 3.452,5 68.871,6 6.524,7 0.667,8 3.617,9 3.746,10 3.07,11 3.161,12 4.675,13 3.11,14 4.125,15 4.322,16 3.393,17 3.547,18 5.08,19 3.476,20 4.411,21 4.613,22 3.401,23 3.741,24 5.332,25 3.606,26 4.599,27 4.888,28 3.289,29 3.727,30 5.36,31 3.542,32 4.484,33 4.75,34 3.237,35 3.663,36 5.346,37 3.493,38 4.436,39 4.705,40 2.941,41 3.527,42 5.342,43 3.326,44 4.152,45 4.48,46 2.639,47 3.181,48 4.913,49 2.957,50 3.58,51 3.854,52 2.232,53 2.645,54 4.561,55 2.473,56 0.046,57 0.469,58 8.139,59 3.32,60 8.386,61 4.631,62 0.111,63 0.766,64 13.917,65 5.129,66 12.062,67 7.441,68 0.115,69 0.966,70 18.454,71 7.512,72 19.585,73 10.595,74 0.206,75 1.085,76 22.661,77 8.791,78 24.893,79 12.827,80 0.139,81 0.969,82 20.079,83 7.968,84 24.216,85 11.384,86 0.201,87 0.864,88 19.495,89 7.559,90 37.79,91 10.491,92 0.087,93 0.64,94 14.378,95 5.867,96 20.172,97 8.46,98 0.073,99 0.353,100 8.165,101 3.143,102 16.743,103 4.35,104 10,105 25,106 0.243,107 0.511,108 0.644,109 0.774,110 0.805,111 0.805,112 2.908,113 0.985,114 -0.85,115 -0.96,116 -1.07,121 42.9,126 2,127 1,144 9,145 1,146 2,176 8,185 2,187 9,189 3,197 1,200 4,203 3,211 1,213 1,214 2,216 3,227 5,229 1,237 1,239 7,249 2,251 6,261 2,264 3,274 1,277 1,281 321,282 11.093,283 11.093,284 11.093,285 11.093,286 11.093,287 9.604,288 12.793,289 6.664,290 11.26,291 8.905,292 8.905,293 8.905,294 8.905,295 8.905,296 6.81,297 19.21,298 3.194,299 9.215,300 3.819,301 2.373,302 1.658,303 0.957,304 0.786,305 0.786,306 3.556,311 1,312 1,313 251,314 2.915,318 115.371,325 1.08,326 8.492,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 35.5,338 121,339 4.512,340 3.749,341 7.311,342 4.317,343 3.395,344 3.888,345 1.26,346 12.526,347 3.133,348 3.892,349 2.688,350 5.428,351 3.48,352 2.492,353 3.447,354 0.245,355 7.07,356 2.464,357 3.691,358 2.539,359 5.126,360 3.291,361 2.326,362 3.033,364 6.316,365 2.231,366 2.96,367 1.724,368 4.534,369 2.542,370 1.568,371 2.133,373 4.297,374 1.523,375 2.814,376 1.496,377 3.608,378 2.381,379 1.393,380 1.938,382 3.024,383 1.372,384 2.568,385 1.144,386 3.478,387 2.101,388 1.109,389 1.597,391 2.526,392 1.099,393 2.5,394 1,395 3.247,396 2,397 1,398 1.5,400 2.136,401 1,402 1.109,403 0.176,404 3.073,405 0.853,406 -0.121,407 -0.141,409 -0.323,410 -0.117,411 0.931,412 -0.057,413 2.603,414 0.527,415 -0.403,416 -0.508,418 -0.897,419 -0.369,420 0.637,421 -0.6,422 2,423 0.2,424 -0.774,425 -1,427 -2.158,428 -0.75,429 0.5,430 -0.636,431 2,433 -1,434 -1.007,436 -2.347,437 -0.9,438 0.329,439 -0.845,440 1.759,441 -0.033,442 -1,443 -1.269,445 -2.546,446 -0.964,448 -1,449 1.6,450 -0.1,451 -1,452 -1.5,454 -3,455 -1,456 -0.073,457 -1.176,458 1.555,459 -0.422,460 -1.351,461 -1.793,463 -3.401,464 -1.267,465 -0.5,466 -1.435,467 1.074,468 -0.758,469 -1.706,470 -2.073,472 -4.789,473 -1.621,474 8.233,475 0.484,476 0.509,477 0.03,478 22.75,479 1.338,480 12.5,481 0.735,482 10.25,483 0.603,484 10.88,485 0.64,486 18.467,487 0.528,488 14.866,489 0.874,490 4.784,491 0.281,492 3.293,493 0.194,494 0.162,495 0.049,496 0.182,501 1.063,502 1.345,503 0.955,504 1.096,505 1.038,506 1.028,507 1.121,508 0.927,509 0.959,510 0.837,511 0.529,512 0.852,513 0.974,514 1.358,515 1.232,516 1.318,517 0.93,518 1.301,519 0.586,520 0.955,521 0.895,522 0.944,523 0.602,524 0.944,525 0.841,526 1.001,527 1.005,528 1.044,529 0.773,530 1.036,531 1.586,532 0.918,533 1.199,534 1.002,535 1.848,536 1.069,537 0.411,538 0.756,539 0.678,540 0.812,541 0.502,542 0.778,543 1.446,544 0.938,545 0.997,546 1.001,547 1.665,548 0.976,549 4.5,551 2,552 1.313,553 1.071,554 0.403,555 0.163,556 0.111,557 0.053,558 0.016,559 2202,560 4948,561 1.98,562 51.4,564 17,567 1,572 1.571,573 1.838,574 2.869,575 -0.371,577 1,578 1,579 1,582 45.863,583 1.31,584 2.756,585 3.471,586 4.172,587 4.343,588 4.343,589 2.278,590 3.617,591 4.062,592 2.961,593 402.714,594 6.873,595 3615.32,596 1,597 1,599 1,600 179.525,601 1.574,602 3.996,603 0.25,605 0.08,606 0.057,607 0.054,608 0.021,609 0.013,610 0.011,611 0.009,612 0.008,613 0.502,614 1,615 1,616 0.682,617 69.823,618 -0.031,619 -0.181,620 0.035,621 -0.036,622 -0.141,623 -0.007,624 -0.114,625 0.235,626 0.038,627 0.147,628 0.097,629 0.12,630 -0.092,631 -0.311,632 -0.272,633 -0.307,634 -0.105,635 -0.307,636 0.132,637 -0.002,638 0.058,639 0.008,640 0.034,641 0.022,642 -0.015,643 -0.037,644 -0.047,645 -0.074,646 0.041,647 -0.061,648 -0.224,649 -0.017,650 -0.209,651 -0.044,652 -0.284,653 -0.116,654 0.15,655 0.098,656 0.256,657 0.141,658 0.182,659 0.2,660 -0.034,661 -0.063,662 0.001,663 -0.05,664 -0.005,665 -0.026,666 1.346,667 3.532,668 0.706,669 9.536,670 0.984,671 1.121,672 -0.378,673 0.143,674 0.655,675 2.944,676 3.258,677 3.401,678 3.584,679 3.738,680 3.497,681 3.526,682 3.332,683 3.219,684 3.045,685 4.393,686 0.606,687 228.34,688 2.944,689 4.466,690 5.273,691 6.142,692 6.973,693 7.844,694 8.686,695 9.558,696 10.405,697 11.277,698 2.9,712 1,715 9,720 3,722 12,738 1,741 35,743 12,744 2,745 18,747 36,748 15,749 12,750 3,751 9,756 2,757 2,772 12,773 3,790 1,793 18,794 1,795 1,796 2,802 1,803 1,807 1,808 1,809 1,829 2,859 2,864 2,868 17,875 1,876 1,883 1,893 2.9,895 1,901 9.25,902 6.7,903 3.708,904 2.029,907 2.051,908 1.353,909 0.907,910 3.272,911 7.862,912 3.219,913 3.784,914 4.248,915 4.738,916 5.211,917 5,918 5.22,919 5.29,920 5.558,921 5.768,922 0.8,923 23,924 6.255,926 2.534,927 0.026,929 7.618,931 12.143,933 9.689,936 2.118,937 36,938 0.003,941 200.109,942 110.127,945 42.683,948 110.127,949 242.792,951 16.793,952 2.106,953 85.286,954 42.683,955 5.942,957 200.109,959 200.109,960 110.127,961 42.683,964 200.109,965 42.683,968 2.106,969 108.021,972 200.109,973 42.683,974 110.127,977 200.109,978 8.048,979 102.079,981 42.683,982 200.109,983 42.683,984 110.127,986 0.582,987 0.318,988 0.164,989 0.092,990 12,991 5,992 0.083,993 3,995 1,996 2.899,997 113.355,999 12,1000 63.487,1005 11.838,1006 4.699,1007 2.932,1009 42.683,1010 17.84,1015 2.719,1017 42.683,1018 352.919,1019 24,1031 34.44,1032 39.237,1034 0.255,1035 0.537,1036 0.677,1037 0.813,1038 0.847,1039 0.847,1040 4.431,1041 -0.121,1042 5.303,1043 2.136,1044 3.932,1045 4.466,1046 1.242,1047 6.138,1048 3.857,1049 5.651,1050 -0.403,1051 6.889,1052 -0.323,1053 3.761,1054 4.182,1055 0.931,1056 7.466,1057 3.547,1058 6.962,1059 -0.774,1060 8.605,1061 -0.897,1062 5.617,1063 6.59,1064 1.34,1065 10.46,1066 5.42,1067 8.31,1068 -1,1069 10.405,1070 -2.158,1071 6.256,1072 7.011,1073 1.381,1074 12.619,1075 5.893,1076 9.689,1077 -1,1078 12.262,1079 -2.347,1080 7.682,1081 8.962,1082 1.635,1083 15.273,1084 7.317,1085 11.092,1086 -1,1087 14.159,1088 -2.546,1089 8.665,1090 9.741,1091 1.783,1092 17.689,1093 8.148,1094 12.514,1095 -1.351,1096 16.082,1097 -3,1098 9.945,1099 11.453,1100 2.002,1101 20.255,1102 9.392,1103 3.395,1104 -1.706,1105 18.024,1106 -3.401,1107 11.07,1108 12.441,1109 2.192,1110 22.748,1111 10.389,1112 2.492,1113 12.526,1114 19.98,1115 -4.789,1116 12.304,1117 14.012,1118 2.407,1119 25.288,1120 11.562,1121 2.326,1122 7.07,1123 21.945,1124 3.888,1125 13.487,1126 15.13,1127 2.615,1128 27.805,1129 12.636,1130 1.568,1131 6.316,1132 23.917,1133 3.447,1134 14.708,1135 16.615,1136 2.833,1137 30.337,1138 13.784,1139 1.393,1140 4.297,1141 25.894,1142 3.033,1143 15.914,1144 17.816,1145 3.05,1146 32.861,1147 14.893,1148 1.109,1149 3.024,1150 27.875,1151 2.133,1152 17.134,1153 19.248,1154 3.272,1155 35.39,1156 16.033,1157 1,1158 2.526,1159 29.858,1160 1.938,1161 18.349,1162 20.504,1163 3.495,1164 37.917,1165 17.159,1166 2253,1167 3426,1168 11.614,1169 22.932,1170 27.208,1171 26.239,1172 27.164,1173 26.688,1174 26.565,1175 35.071,1176 3.01,1177 75.787,1178 25.644,1179 5.334,1180 5.749,1181 7.113,1182 5.317,1183 5.395,1184 6.888,1185 1.965,1186 19.916,1187 5.133,1188 7.844,1189 1.512,1190 1.458,1191 1.509,1192 1.483,1193 1.476,1194 1.948,1195 0.167,1196 4.21,1197 1.425,1198 4.019,1199 4.065,1200 3.949,1201 3.914,1202 6.471,1203 3.916,1204 3.856,1205 3.885,1206 3.785,1207 3.794,1208 4.769,1209 3.789,1210 3.56,1211 3.63,1212 3.43,1213 3.36,1214 4.636,1215 3.367,1216 2.983,1217 3.063,1218 2.82,1219 2.849,1220 4.193,1221 2.829,1222 2.933,1223 3.009,1224 2.791,1225 2.746,1226 3.674,1227 2.749,1228 2.874,1229 2.971,1230 2.687,1231 2.735,1232 3.653,1233 2.715,1234 2.854,1235 2.925,1236 2.56,1237 2.618,1238 3.527,1239 2.584,1240 2.737,1241 2.806,1242 2.499,1243 2.602,1244 3.467,1245 2.57,1246 0.251,1247 0.208,1248 0.406,1249 0.24,1250 0.189,1251 4.512,1252 0.216,1253 3.749,1254 0.07,1255 7.311,1256 0.696,1257 4.317,1258 0.174,1259 3.395,1260 3.888,1261 1.26,1262 12.526,1263 3.133,1264 1.97,1265 1.933,1266 2.097,1267 2.112,1268 1.308,1269 2.11,1270 1.861,1271 1.834,1272 1.984,1273 1.947,1274 1.063,1275 1.962,1276 1.529,1277 1.454,1278 1.775,1279 1.746,1280 0.871,1281 1.76,1282 1.017,1283 0.943,1284 1.417,1285 1.239,1286 0.512,1287 1.308,1288 0.934,1289 0.839,1290 1.35,1291 1.218,1292 0.469,1293 1.268,1294 0.886,1295 0.821,1296 1.181,1297 1.14,1298 0.218,1299 1.131,1300 0.883,1301 0.804,1302 1.14,1303 1.062,1304 0.172,1305 1.107,1306 0.754,1307 0.692,1308 1.03,1309 0.945,1310 0.095,1311 0.981,1312 3.611,1314 4.92,1316 6.428,1318 8.02,1320 9.653,1322 4.281,1327 9.532,1328 0.907,1335 0.721,1340 21.214,1341 45.863,1342 96.466,1343 121.486,1344 146.015,1345 152.015,1346 152.015,1347 22.936,1348 5.811,1349 20.23,1350 20.23,1351 12,1352 11.824,1353 3.7,1354 2.807,1355 28.358,1356 43,1357 41,1358 0.326,1359 134.559,1360 226.81,1361 320.083,1362 1929,1364 12.303,1365 0.724,1366 0.609,1367 12.303,1368 10.35,1369 8.077,1370 0.449,1371 0.328,1372 5.844,1373 7.873,1374 5.611,1375 4.757,1376 8.077,1377 5.913,1378 7.665,1379 0.307,1380 0.204,1381 7.665,1382 5.097,1383 5.581,1384 0.192,1385 0.107,1386 5.581,1387 3.117,1388 4.446,1389 0.127,1390 0.061,1391 4.446,1392 2.135,1393 3.504,1394 0.085,1395 0.034,1396 3.504,1397 1.395,1398 0.491,1399 49.862,1400 0.293,1401 17.037,1402 0.948,1403 86,1404 186.483,1405 90.546,1406 189.663,1407 259.05,1408 176,1409 97,1410 191.284,1411 102.491,1412 199.993,1413 282.33,1414 186,1415 5}
{0 CHEMBL609149,1 1.487,2 7.857,3 2.556,4 6.535,5 83.293,6 6.578,7 0.261,8 3.873,9 4.008,10 3.347,11 3.323,12 4.861,13 3.297,14 4.48,15 4.702,16 3.779,17 3.774,18 5.414,19 3.737,20 4.69,21 4.866,22 3.885,23 4.013,24 5.643,25 3.936,26 4.979,27 5.242,28 3.728,29 4.051,30 5.849,31 3.922,32 4.788,33 5.037,34 3.513,35 3.919,36 5.644,37 3.746,38 4.754,39 5.069,40 3.259,41 3.668,42 5.494,43 3.476,44 4.337,45 4.607,46 3.143,47 3.329,48 5.233,49 3.202,50 4.123,51 4.355,52 3.061,53 3.141,54 5.207,55 3.078,56 0.017,57 0.649,58 10.657,59 3.845,60 7.737,61 5.765,62 0.448,63 1.058,64 20.792,65 6.152,66 28.913,67 9.64,68 0.111,69 1.314,70 24.689,71 9.049,72 23.297,73 13.244,74 0.512,75 1.442,76 34.589,77 10.303,78 55.313,79 15.799,80 0.22,81 1.229,82 27.535,83 10.03,84 32.825,85 14.847,86 0.367,87 0.993,88 27.478,89 8.716,90 38.896,91 13.277,92 0.259,93 0.707,94 18.117,95 5.563,96 25.416,97 8.391,98 0.337,99 0.597,100 15.053,101 3.71,102 34.063,103 5.767,104 40,105 36,106 0.263,107 0.541,108 0.721,109 0.79,110 0.823,111 0.823,112 3.105,113 0.954,114 -3.35,115 -3.33,116 -3.19,121 36.4,122 1,123 1,125 1,126 4,127 1,130 1,144 3,145 1,146 2,161 1,176 5,179 4,180 7,187 6,192 8,200 5,206 7,214 3,218 1,219 7,227 2,231 1,232 2,243 2,244 4,255 2,281 500,282 13.463,283 13.463,284 13.463,285 13.463,286 13.463,287 12.672,288 22.263,289 7.397,290 13.876,291 11.257,292 11.257,293 11.257,294 11.257,295 11.257,296 9.906,297 30.485,298 3.437,299 11.894,300 3.973,301 2.408,302 1.393,303 1.001,304 0.813,305 0.813,306 3.77,310 1,311 1,312 1,313 349,314 3.606,317 72.847,318 42.254,320 58.895,321 63.807,324 88.842,325 1.224,326 16.149,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 45.5,338 165,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.208,346 15.306,347 3.657,348 4.019,349 3.76,350 6.212,351 3.692,352 2.758,353 3.335,354 0.966,355 8.837,356 2.58,357 3.794,358 2.829,359 6.169,360 3.508,361 2.552,362 2.999,363 0.693,364 8.466,365 2.416,366 3.512,367 2.743,368 5.805,369 3.35,370 2.416,371 2.684,372 0.655,373 7.763,374 2.248,375 3.348,376 2.524,377 5.214,378 3.08,379 2.146,380 2.442,381 0.13,382 6.295,383 1.998,384 2.622,385 1.981,386 4.752,387 2.44,388 1.503,389 1.636,391 4.425,392 1.404,393 2.524,394 1.744,395 4.216,396 2.13,397 1.137,398 1.531,400 3.06,401 1.128,402 2.306,403 1.171,404 3.731,405 1.996,406 1.041,407 1.202,409 2.419,410 0.975,411 1.782,412 0.926,413 3.519,414 1.685,415 0.717,416 0.752,418 1.775,419 0.691,420 1.229,421 0.685,422 3.087,423 0.854,424 -0.104,425 -0.127,427 -0.267,428 -0.098,429 0.762,430 -0.015,431 2.68,432 0.639,433 -0.303,434 -0.315,436 -0.748,437 -0.284,438 0.667,439 -0.156,440 2.473,441 0.308,442 -0.678,443 -0.832,445 -1.877,446 -0.66,447 0.526,448 -0.587,449 2.427,450 0.083,451 -0.908,452 -1,454 -2,455 -0.893,457 -0.6,458 2.155,459 -0.049,460 -1,461 -1,463 -2.702,464 -0.9,466 -0.793,467 2.117,468 -0.1,469 -1,470 -1.236,472 -2.804,473 -0.946,474 9.867,475 0.47,476 0.83,477 0.04,478 23,479 1.095,480 8.5,481 0.405,482 14.5,483 0.69,484 19.808,485 0.943,486 24.333,487 0.553,488 16.725,489 0.796,490 4.452,491 0.212,492 5.39,493 0.257,494 0.287,495 0.051,496 0.375,501 0.8,502 1.774,503 0.877,504 1.394,505 0.62,506 1.178,507 0.835,508 0.675,509 0.778,510 0.581,511 0.416,512 0.628,513 0.913,514 1.539,515 1.085,516 1.444,517 0.64,518 1.313,519 1.422,520 0.827,521 1.146,522 0.854,523 1.272,524 0.942,525 0.666,526 1.281,527 1.118,528 1.397,529 0.798,530 1.341,531 0.884,532 0.776,533 0.793,534 0.822,535 0.766,536 0.81,537 1.079,538 1.033,539 0.895,540 1.023,541 1.115,542 0.961,543 2.04,544 0.901,545 1.248,546 0.817,547 2.836,548 0.911,549 6,551 4,552 3.146,553 1.406,554 0.701,555 0.492,556 0.387,557 0.242,558 0.089,559 3716,560 8369,561 1.979,562 52.3,563 3,564 17,565 1,569 2,572 1.635,573 1.762,574 2.939,575 -0.75,576 1,577 1,579 1,582 65.418,583 1.487,584 3.052,585 4.067,586 4.459,587 4.646,588 4.646,589 2.453,590 4.011,591 4.362,592 3.091,593 649.127,594 7.49,595 6591.62,597 1,599 1,600 240.215,601 1.772,602 4.262,603 0.261,605 0.111,606 0.083,607 0.045,608 0.03,609 0.027,610 0.024,611 0.016,612 0.011,613 0.609,614 0.83,615 1,616 1.353,617 92.56,618 0.016,619 -0.446,620 0.091,621 -0.199,622 -0.044,623 -0.068,624 0.222,625 0.521,626 0.239,627 0.416,628 0.214,629 0.353,630 -0.048,631 -0.349,632 -0.125,633 -0.299,634 0.057,635 -0.235,636 -0.241,637 0.153,638 -0.141,639 0.097,640 -0.116,641 0.01,642 0.043,643 -0.279,644 -0.19,645 -0.339,646 -0.036,647 -0.306,648 0.064,649 0.028,650 0.17,651 0.105,652 -0.008,653 0.145,654 0.105,655 -0.137,656 0.104,657 -0.072,658 0.032,659 -0.004,660 -0.201,661 0.095,662 -0.148,663 0.068,664 -0.231,665 -0.027,666 2.008,667 4.721,668 0.571,669 14.658,670 0.995,671 1.138,672 2.118,673 4.487,674 0.626,675 3.178,676 3.611,677 3.951,678 4.277,679 4.489,680 4.585,681 4.779,682 4.86,683 4.796,684 4.727,685 4.791,686 0.585,687 289.42,688 3.178,689 4.779,690 5.68,691 6.624,692 7.553,693 8.505,694 9.448,695 10.405,696 11.355,697 12.316,698 6.8,701 1,704 1,705 1,715 3,720 3,722 6,736 1,737 1,741 44,743 7,744 1,745 23,747 46,748 16,749 6,750 3,751 3,756 3,757 6,763 1,764 1,766 1,767 1,770 1,772 7,773 9,777 1,782 1,786 1,789 1,790 1,793 23,794 5,796 5,802 3,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 5,868 21,876 2,878 1,880 1,881 3,882 1,893 4.5,896 1,898 1,901 11.917,902 9.517,903 4.431,904 2.536,907 1.315,908 1.188,909 0.925,910 3.413,911 8.308,912 3.332,913 3.902,914 4.422,915 4.937,916 5.43,917 5.689,918 6.061,919 6.317,920 6.358,921 6.298,922 1,923 38,924 7.786,926 3.302,927 0.026,929 7.631,931 15.182,933 12.806,936 2.131,937 44.75,938 0.001,941 270.735,942 93.428,943 9.373,945 36.145,948 93.428,949 306.88,950 9.373,951 42.411,952 7.765,953 28.429,954 25.145,955 28.434,956 18.534,957 258.964,959 270.735,960 102.801,961 36.145,964 247.193,965 59.687,968 19.714,969 83.087,972 270.735,973 45.518,974 93.428,977 270.735,978 22.588,979 80.212,981 36.145,982 270.735,983 45.518,984 93.428,986 0.614,987 0.374,988 0.192,989 0.102,990 20,991 10,992 0.043,993 2,994 2,995 1.333,996 3.117,997 172.473,998 0.333,999 12,1000 90.239,1005 14.668,1006 4.887,1007 2.123,1009 45.518,1010 5.971,1015 3.138,1018 409.681,1019 27,1024 11.721,1028 -0.341,1031 43.796,1032 50.066,1034 0.272,1035 0.559,1036 0.745,1037 0.817,1038 0.851,1039 0.851,1040 4.668,1041 1.041,1042 5.765,1043 3.06,1044 4.29,1045 4.585,1046 2.519,1047 6.746,1048 4.193,1049 5.903,1050 0.717,1051 7.448,1052 2.419,1053 4.29,1054 4.62,1055 1.961,1056 8.199,1057 4.165,1058 7.261,1059 -0.104,1060 9.247,1061 1.775,1062 6.098,1063 6.695,1064 3.567,1065 11.366,1066 5.932,1067 8.654,1068 -0.303,1069 11.116,1070 -0.267,1071 6.889,1072 7.477,1073 3.677,1074 13.68,1075 6.715,1076 10.085,1077 -0.678,1078 13.034,1079 -0.748,1080 8.304,1081 9.151,1082 4.963,1083 16.509,1084 8.105,1085 11.542,1086 -0.908,1087 14.988,1088 -1.877,1089 9.415,1090 10.259,1091 5.374,1092 19.115,1093 9.211,1094 13.021,1095 -1,1096 16.971,1097 -2,1098 10.733,1099 11.793,1100 6.459,1101 21.867,1102 10.512,1103 3.737,1104 -1,1105 18.975,1106 -2.702,1107 11.969,1108 13.059,1109 7.029,1110 24.561,1111 11.739,1112 2.758,1113 15.306,1114 20.996,1115 -2.804,1116 13.272,1117 14.537,1118 7.994,1119 27.295,1120 13.026,1121 2.552,1122 8.837,1123 23.031,1124 4.206,1125 14.556,1126 15.883,1127 8.654,1128 30.013,1129 14.296,1130 2.416,1131 8.466,1132 25.076,1133 3.335,1134 15.863,1135 17.337,1136 9.549,1137 32.743,1138 15.585,1139 2.146,1140 7.763,1141 27.129,1142 2.999,1143 17.166,1144 18.725,1145 10.263,1146 35.468,1147 16.871,1148 1.503,1149 6.295,1150 29.189,1151 2.684,1152 18.477,1153 20.169,1154 11.116,1155 38.197,1156 18.164,1157 1.137,1158 4.425,1159 31.253,1160 2.442,1161 19.789,1162 21.579,1163 11.862,1164 40.924,1165 19.456,1166 3782,1167 5760,1168 14.334,1169 27.54,1170 36.459,1171 37.37,1172 38.898,1173 36.051,1174 36.013,1175 41.575,1176 9.303,1177 116.693,1178 34.195,1179 5.797,1180 5.973,1181 7.277,1182 5.785,1183 5.737,1184 7.206,1185 3.912,1186 23.813,1187 5.657,1188 13.434,1189 1.585,1190 1.625,1191 1.691,1192 1.567,1193 1.566,1194 1.808,1195 0.404,1196 5.074,1197 1.487,1198 4.09,1199 4.128,1200 4.037,1201 3.994,1202 7.433,1203 4,1204 3.721,1205 3.764,1206 3.645,1207 3.565,1208 4.833,1209 3.571,1210 3.593,1211 3.664,1212 3.487,1213 3.329,1214 4.45,1215 3.361,1216 3.299,1217 3.392,1218 3.132,1219 3.069,1220 4.233,1221 3.071,1222 3.246,1223 3.341,1224 3.046,1225 3.039,1226 4.069,1227 3.027,1228 2.993,1229 3.093,1230 2.838,1231 2.762,1232 3.898,1233 2.736,1234 2.976,1235 3.016,1236 2.68,1237 2.706,1238 3.822,1239 2.715,1240 2.874,1241 3.009,1242 2.585,1243 2.618,1244 3.497,1245 2.6,1246 0.21,1247 0.173,1248 0.348,1249 0.205,1250 0.162,1251 4.832,1252 0.183,1253 3.973,1254 0.096,1255 8.006,1256 0.665,1257 4.714,1258 0.159,1259 3.737,1260 4.206,1261 2.208,1262 15.306,1263 3.657,1264 1.903,1265 1.884,1266 2.004,1267 1.997,1268 1.31,1269 1.996,1270 1.633,1271 1.578,1272 1.834,1273 1.837,1274 1.058,1275 1.837,1276 1.542,1277 1.464,1278 1.793,1279 1.82,1280 1.013,1281 1.814,1282 1.505,1283 1.425,1284 1.775,1285 1.742,1286 0.834,1287 1.763,1288 1.225,1289 1.132,1290 1.578,1291 1.493,1292 0.643,1293 1.525,1294 1.014,1295 0.899,1296 1.453,1297 1.291,1298 0.563,1299 1.354,1300 0.934,1301 0.838,1302 1.417,1303 1.239,1304 0.469,1305 1.308,1306 0.871,1307 0.804,1308 1.176,1309 1.201,1310 0.347,1311 1.149,1312 3.85,1314 5.252,1315 3.045,1316 6.847,1317 5.638,1318 8.536,1319 7.921,1320 10.285,1322 9.994,1328 2.212,1330 5.411,1332 0.382,1333 6.165,1334 0.097,1340 25.762,1341 65.418,1342 134.267,1343 178.931,1344 196.176,1345 204.441,1346 204.441,1347 31.887,1348 6.993,1349 36.02,1350 36.02,1351 16,1352 12.8,1353 3,1354 2.322,1355 32.127,1356 60,1357 60,1358 0.279,1359 158.734,1360 277.4,1361 379.07,1362 8273,1364 15.361,1365 0.731,1366 0.637,1367 15.361,1368 13.382,1369 9.842,1370 0.428,1371 0.318,1372 7.167,1373 9.343,1374 6.775,1375 5.701,1376 9.842,1377 7.311,1378 9.813,1379 0.273,1380 0.183,1381 9.813,1382 6.574,1383 8.457,1384 0.166,1385 0.096,1386 8.457,1387 4.872,1388 7.033,1389 0.099,1390 0.054,1391 7.033,1392 3.811,1393 5.541,1394 0.063,1395 0.029,1396 5.541,1397 2.57,1398 0.419,1399 62.472,1400 0.264,1401 20.193,1402 0.823,1403 118,1404 310.406,1405 131.053,1406 295.683,1407 407.33,1408 276,1409 146,1410 306.951,1411 160.473,1412 314.339,1413 464.21,1414 289,1415 6.013}
{0 CHEMBL609150,1 1.367,2 13.333,3 5.504,4 30.293,5 110.674,6 6.026,7 0.207,8 4.18,9 4.325,10 3.563,11 3.652,12 5.074,13 3.594,14 4.802,15 5.027,16 3.935,17 4.088,18 5.65,19 3.996,20 5.084,21 5.331,22 4.01,23 4.285,24 5.84,25 4.155,26 5.224,27 5.506,28 3.931,29 4.309,30 5.985,31 4.151,32 5.149,33 5.422,34 3.754,35 4.195,36 5.956,37 4.009,38 5.075,39 5.393,40 3.569,41 3.968,42 5.802,43 3.781,44 4.725,45 4.988,46 3.521,47 3.734,48 5.624,49 3.61,50 4.639,51 4.888,52 3.44,53 3.645,54 5.644,55 3.542,56 0.068,57 0.878,58 15.713,59 5.958,60 9.415,61 8.823,62 0.459,63 1.429,64 29.025,65 9.898,66 35.114,67 15.038,68 0.277,69 1.77,70 37.335,71 13.166,72 28.166,73 19.933,74 0.426,75 1.871,76 42.613,77 13.937,78 43.605,79 21.547,80 0.391,81 1.656,82 39.334,83 13.575,84 46.326,85 20.344,86 0.471,87 1.352,88 36.039,89 11.411,90 43.935,91 17.332,92 0.377,93 1.052,94 26.419,95 8.105,96 34.738,97 12.202,98 0.45,99 0.975,100 24.839,101 6.789,102 45.411,103 10.467,104 36,105 41,106 0.225,107 0.478,108 0.7,109 0.832,110 0.869,111 0.88,112 3.339,113 1.087,114 -5.64,115 -5.51,116 -5.14,121 35.5,122 2,123 7,125 1,126 2,127 2,130 1,144 3,145 1,146 2,161 1,176 11,179 2,180 7,183 2,185 1,187 11,192 8,197 1,200 9,206 7,211 3,214 6,218 1,219 7,224 3,227 4,231 1,232 3,237 2,239 3,243 1,244 4,247 1,249 3,251 4,255 1,256 2,259 1,261 1,264 5,269 3,277 7,281 1218,282 18.076,283 18.076,284 18.076,285 18.076,286 18.076,287 17.26,288 23.216,289 10.907,290 18.446,291 14.265,292 14.265,293 14.265,294 14.265,295 14.265,296 12.898,297 31.489,298 5.163,299 14.846,300 4.587,301 3.044,302 1.695,303 0.887,304 0.662,305 0.597,306 4.018,311 1,312 1,313 766,314 4.243,317 114.645,318 64.933,320 92.441,321 98.805,324 137.691,325 2.099,326 18.727,329 0.75,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.94,337 57.5,338 360,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 3.983,349 3.663,350 6.211,351 3.64,352 2.69,353 3.318,354 0.966,355 8.828,356 2.559,357 3.683,358 2.821,359 6.169,360 3.402,361 2.461,362 2.886,363 0.693,364 8.458,365 2.297,366 3.476,367 2.742,368 5.451,369 3.307,370 2.373,371 2.604,372 0.366,373 7.187,374 2.203,375 3.307,376 2.506,377 4.864,378 3,379 2.042,380 2.424,382 5.477,383 1.947,384 2.876,385 1.918,386 4.696,387 2.85,388 1.854,389 1.875,391 4.381,392 1.842,393 2.619,394 1.747,395 4.214,396 2.509,397 1.53,398 1.632,400 3.702,401 1.499,402 2.542,403 1.654,404 3.864,405 2.412,406 1.452,407 1.542,409 3.06,410 1.384,411 2.513,412 1.208,413 3.723,414 2.128,415 1.134,416 1.51,418 2.925,419 1.126,420 2.048,421 1.171,422 3.505,423 1.992,424 1.008,425 1.029,427 1.92,428 0.988,429 1.784,430 0.928,431 3.091,432 1.694,433 0.729,434 0.76,436 1.776,437 0.702,438 1.464,439 0.732,440 3.072,441 1.4,442 0.427,443 0.435,445 0.767,446 0.413,447 1.23,448 0.569,449 2.755,450 0.906,451 -0.034,452 -0.038,454 -0.078,455 -0.031,456 0.852,457 0.026,458 2.565,459 0.735,460 -0.256,461 -0.27,463 -0.493,464 -0.25,465 0.762,466 -0.022,467 2.427,468 0.637,469 -0.31,470 -0.333,472 -0.749,473 -0.295,474 12.867,475 0.477,476 0.703,477 0.026,478 25.75,479 0.954,480 8.5,481 0.315,482 17.25,483 0.639,484 30.459,485 1.128,486 32.133,487 0.518,488 17.558,489 0.65,490 4.252,491 0.157,492 8.717,493 0.323,494 0.181,495 0.039,496 0.256,501 0.828,502 1.625,503 1.01,504 1.376,505 0.635,506 1.233,507 0.734,508 1.024,509 0.952,510 0.975,511 0.401,512 0.973,513 0.905,514 1.252,515 0.989,516 1.146,517 0.665,518 1.087,519 1.113,520 0.968,521 1.045,522 0.97,523 0.856,524 0.985,525 1.041,526 1.184,527 1.107,528 1.224,529 1.238,530 1.185,531 1.297,532 0.764,533 0.83,534 0.763,535 1.235,536 0.757,537 1.633,538 1.042,539 1.016,540 0.998,541 1.761,542 0.96,543 2.332,544 0.914,545 1.262,546 0.877,547 3.126,548 0.948,549 5.5,550 0.11,551 3.556,552 3.271,553 1.326,554 0.701,555 0.512,556 0.344,557 0.25,558 0.155,559 9310,560 16239,561 2.005,562 56.5,563 16,564 13,565 1,567 1,569 4,572 1.694,573 1.851,574 3.588,575 -0.382,582 84.773,583 1.367,584 2.91,585 4.259,586 5.067,587 5.293,588 5.357,589 3.102,590 4.431,591 4.714,592 3.815,593 1339.06,594 8.153,595 17953.3,600 369.16,601 1.623,602 4.663,603 0.19,604 0.006,605 0.087,606 0.076,607 0.035,608 0.024,609 0.02,610 0.014,611 0.011,612 0.008,613 0.472,614 0.33,615 0.88,616 2.388,617 136.827,618 0.024,619 -0.248,620 0.068,621 -0.101,622 -0.01,623 -0.026,624 0.28,625 0.18,626 0.101,627 0.109,628 0.248,629 0.091,630 -0.013,631 -0.155,632 0.015,633 -0.072,634 0.026,635 -0.033,636 -0.099,637 0.057,638 -0.044,639 0.007,640 0.016,641 -0.004,642 0.008,643 -0.202,644 -0.118,645 -0.215,646 -0.061,647 -0.186,648 0.019,649 0.07,650 0.153,651 0.131,652 -0.039,653 0.153,654 0.032,655 -0.085,656 0.045,657 -0.042,658 -0.016,659 -0.008,660 -0.183,661 0.087,662 -0.126,663 0.035,664 -0.234,665 -0.034,666 2.014,667 5.12,668 0.444,669 30.955,670 0.985,671 1.138,672 4.413,673 19.472,674 0.615,675 3.401,676 3.738,677 4.043,678 4.369,679 4.554,680 4.654,681 4.836,682 4.898,683 4.86,684 4.852,685 7.467,686 0.563,687 373.6,688 3.401,689 4.949,690 5.814,691 6.725,692 7.628,693 8.561,694 9.487,695 10.434,696 11.374,697 12.329,698 4.8,701 1,704 1,705 1,715 3,720 3,722 6,736 1,737 1,741 62,743 7,744 1,745 29,747 64,748 22,749 6,750 3,751 3,756 3,757 6,763 2,764 1,766 1,767 1,770 7,772 7,773 15,777 1,782 1,786 1,793 35,794 5,795 1,796 5,802 3,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 4,868 27,876 9,877 1,878 1,880 1,881 2,882 1,893 3.2,896 1,898 1,901 14.583,902 12.067,903 6.069,904 4.274,907 1.278,908 1.173,909 0.922,910 6.695,911 8.683,912 3.526,913 3.998,914 4.469,915 4.993,916 5.456,917 5.711,918 6.074,919 6.315,920 6.366,921 6.377,922 0.889,923 43,924 10.075,926 4.175,927 0.026,929 7.491,931 20.116,933 16.842,936 1.991,937 53.75,941 400.217,942 102.773,943 24.259,945 36.145,948 102.773,949 436.362,950 24.259,951 34.443,952 39.964,953 28.429,954 25.145,955 28.434,956 18.534,957 388.446,959 400.217,960 127.033,961 36.145,964 353.133,965 83.229,968 60.739,969 66.294,972 400.217,973 60.404,974 102.773,977 400.217,978 39.901,979 69.121,980 18.011,981 36.145,982 400.217,983 60.404,984 102.773,986 0.574,987 0.337,988 0.185,989 0.095,990 19,991 9,992 0.141,993 9,994 2,995 1.333,996 3.912,997 221.626,998 0.333,999 12,1000 128.382,1005 20.474,1006 8.829,1007 4.27,1009 60.404,1010 6.058,1015 3.175,1017 18.011,1018 563.395,1019 33,1024 12.12,1028 -0.347,1031 61.098,1032 70.557,1034 0.23,1035 0.489,1036 0.715,1037 0.851,1038 0.889,1039 0.9,1040 4.808,1041 1.452,1042 5.838,1043 3.702,1044 4.419,1045 4.682,1046 2.466,1047 6.763,1048 4.341,1049 5.982,1050 1.134,1051 7.471,1052 3.06,1053 4.205,1054 4.559,1055 1.905,1056 8.162,1057 4.094,1058 7.302,1059 1.008,1060 9.237,1061 2.925,1062 6.138,1063 6.712,1064 3.531,1065 11.347,1066 5.994,1067 8.667,1068 0.729,1069 11.088,1070 1.92,1071 6.825,1072 7.43,1073 3.612,1074 13.666,1075 6.668,1076 10.078,1077 0.427,1078 13,1079 1.776,1080 8.293,1081 9.136,1082 4.913,1083 16.5,1084 8.112,1085 11.524,1086 -0.034,1087 14.954,1088 0.767,1089 9.373,1090 10.226,1091 5.293,1092 19.111,1093 9.184,1094 12.996,1095 -0.256,1096 16.94,1097 -0.078,1098 10.711,1099 11.773,1100 6.388,1101 21.865,1102 10.504,1103 3.737,1104 -0.31,1105 18.949,1106 -0.493,1107 11.943,1108 13.037,1109 6.931,1110 24.56,1111 11.724,1112 2.69,1113 15.306,1114 20.975,1115 -0.749,1116 13.255,1117 14.521,1118 7.902,1119 27.294,1120 13.019,1121 2.461,1122 8.828,1123 23.014,1124 4.206,1125 14.541,1126 15.869,1127 8.539,1128 30.013,1129 14.289,1130 2.373,1131 8.458,1132 25.063,1133 3.318,1134 15.852,1135 17.326,1136 9.436,1137 32.743,1138 15.581,1139 2.042,1140 7.187,1141 27.119,1142 2.886,1143 17.157,1144 18.716,1145 10.13,1146 35.468,1147 16.868,1148 1.854,1149 5.477,1150 29.181,1151 2.604,1152 18.471,1153 20.162,1154 10.981,1155 38.197,1156 18.161,1157 1.53,1158 4.381,1159 31.247,1160 2.424,1161 19.783,1162 21.573,1163 11.71,1164 40.924,1165 19.454,1166 9259,1167 12440,1168 18.781,1169 38.108,1170 43.126,1171 44.093,1172 45.868,1173 42.926,1174 42.872,1175 48.444,1176 8.422,1177 127.576,1178 41.231,1179 5.797,1180 5.973,1181 7.977,1182 5.798,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 15.201,1189 1.487,1190 1.52,1191 1.582,1192 1.48,1193 1.478,1194 1.67,1195 0.29,1196 4.399,1197 1.422,1198 4.091,1199 4.13,1200 4.038,1201 3.995,1202 7.435,1203 4.001,1204 3.796,1205 3.862,1206 3.658,1207 3.665,1208 4.834,1209 3.647,1210 3.708,1211 3.752,1212 3.602,1213 3.564,1214 4.451,1215 3.569,1216 3.604,1217 3.677,1218 3.457,1219 3.439,1220 4.257,1221 3.426,1222 3.412,1223 3.475,1224 3.272,1225 3.168,1226 4.162,1227 3.186,1228 3.29,1229 3.386,1230 3.11,1231 3.069,1232 4.062,1233 3.065,1234 3.245,1235 3.34,1236 3.042,1237 3.04,1238 3.906,1239 3.027,1240 3.134,1241 3.2,1242 2.935,1243 2.884,1244 3.874,1245 2.898,1246 0.167,1247 0.137,1248 0.276,1249 0.163,1250 0.129,1251 4.832,1252 0.145,1253 3.973,1254 0.075,1255 8.006,1256 0.528,1257 4.714,1258 0.126,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.903,1265 1.884,1266 2.05,1267 1.999,1268 1.398,1269 2.003,1270 1.796,1271 1.733,1272 2.004,1273 1.957,1274 1.31,1275 1.987,1276 1.634,1277 1.578,1278 1.895,1279 1.837,1280 1.185,1281 1.847,1282 1.612,1283 1.54,1284 1.832,1285 1.823,1286 1.057,1287 1.837,1288 1.533,1289 1.452,1290 1.787,1291 1.751,1292 1.013,1293 1.773,1294 1.352,1295 1.28,1296 1.66,1297 1.621,1298 0.889,1299 1.63,1300 1.229,1301 1.141,1302 1.579,1303 1.492,1304 0.644,1305 1.526,1306 1.076,1307 1.012,1308 1.453,1309 1.371,1310 0.572,1311 1.381,1312 4.078,1314 5.407,1315 3.045,1316 6.938,1317 5.638,1318 8.584,1319 7.921,1320 10.306,1322 8.891,1328 10.183,1329 2.882,1330 5.558,1332 0.379,1333 4.762,1334 0.09,1340 34.923,1341 84.773,1342 180.419,1343 264.083,1344 314.141,1345 328.141,1346 332.141,1347 50.751,1348 7.405,1349 44.81,1350 44.81,1351 16,1352 12.818,1353 3,1354 2.322,1355 47.6,1356 118,1357 161,1358 0.195,1359 216.288,1360 381.2,1361 519.502,1362 16131,1364 19.441,1365 0.72,1366 0.644,1367 19.441,1368 17.384,1369 12.969,1370 0.447,1371 0.362,1372 10.377,1373 12.508,1374 9.995,1375 8.417,1376 12.969,1377 10.504,1378 11.607,1379 0.283,1380 0.205,1381 11.607,1382 8.396,1383 9.65,1384 0.172,1385 0.113,1386 9.65,1387 6.312,1388 8.372,1389 0.107,1390 0.062,1391 8.372,1392 4.858,1393 6.335,1394 0.067,1395 0.034,1396 6.335,1397 3.185,1398 0.317,1399 80.946,1400 0.231,1401 26.544,1402 0.507,1403 140,1404 327.094,1405 153.025,1406 313.145,1407 433.79,1408 294,1409 167,1410 326.529,1411 180.309,1412 330.787,1413 489.45,1414 309,1415 6.959}
{0 CHEMBL609409,1 1.6,2 10.962,3 4.591,4 21.081,5 102.979,6 7.748,7 0.414,8 3.978,9 4.095,10 3.588,11 3.521,12 5.029,13 3.497,14 4.55,15 4.728,16 4.029,17 3.966,18 5.598,19 3.926,20 4.812,21 4.988,22 4.094,23 4.165,24 5.783,25 4.085,26 4.995,27 5.244,28 3.953,29 4.161,30 5.905,31 4.042,32 4.908,33 5.146,34 3.778,35 4.004,36 5.891,37 3.867,38 4.808,39 5.104,40 3.57,41 3.761,42 5.667,43 3.622,44 4.333,45 4.53,46 3.634,47 3.528,48 5.511,49 3.469,50 4.289,51 4.493,52 3.422,53 3.484,54 5.424,55 3.415,56 0.019,57 0.697,58 9.645,59 4.347,60 6.507,61 5.729,62 0.379,63 1.169,64 20.096,65 7.347,66 31.978,67 10.062,68 0.204,69 1.456,70 27.554,71 10.3,72 28.512,73 13.717,74 0.371,75 1.638,76 36.191,77 11.928,78 42.576,79 16.737,80 0.368,81 1.407,82 31.977,83 11.614,84 52.23,85 15.82,86 0.517,87 1.14,88 34.162,89 10.597,90 54.155,91 14.516,92 0.406,93 0.804,94 19.26,95 6.297,96 42.078,97 8.127,98 0.36,99 0.793,100 16.984,101 5.438,102 40.815,103 7.036,104 26,105 44,106 0.273,107 0.61,108 0.773,109 0.85,110 0.86,111 0.86,112 3.304,113 0.939,114 -4.8,115 -4.71,116 -4.42,121 41.7,122 1,123 1,125 1,126 2,127 1,130 1,144 7,145 1,146 4,161 1,176 7,179 2,180 7,183 2,185 2,187 10,192 8,197 2,200 9,206 9,211 2,214 3,218 1,219 9,224 3,227 2,231 1,232 1,237 1,239 4,243 1,244 4,247 1,249 2,251 8,255 1,259 1,264 6,269 2,277 8,281 940,282 17.134,283 17.134,284 17.134,285 17.134,286 17.134,287 15.542,288 26.398,289 9.672,290 17.634,291 14.266,292 14.266,293 14.266,294 14.266,295 14.266,296 11.82,297 37.13,298 4.582,299 15.126,300 3.985,301 2.013,302 1.056,303 0.605,304 0.547,305 0.547,306 3.995,308 1,311 1,312 1,313 627,314 3.464,317 101.479,318 141.221,320 81.891,321 86.944,324 121.575,325 1.586,326 21.039,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 55.833,338 285,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 4.061,349 3.675,350 6.211,351 3.68,352 2.734,353 3.63,354 0.966,355 8.83,356 2.581,357 3.956,358 2.94,359 6.169,360 3.576,361 2.616,362 3.315,363 0.693,364 8.459,365 2.507,366 3.678,367 2.822,368 5.575,369 3.378,370 2.443,371 2.921,372 0.366,373 7.612,374 2.273,375 3.5,376 2.743,377 5.347,378 3.273,379 2.35,380 2.721,382 6.914,383 2.15,384 3.377,385 2.523,386 4.962,387 3.033,388 2.121,389 2.489,391 5.871,392 1.905,393 3.189,394 2.38,395 4.774,396 2.738,397 1.787,398 2.352,400 4.896,401 1.623,402 2.615,403 1.746,404 4.548,405 2.411,406 1.462,407 1.629,409 4.313,410 1.38,411 2.518,412 1.171,413 4.213,414 2.127,415 1.133,416 1.522,418 3.06,419 1.126,420 2.5,421 1,422 3.722,423 2,424 1,425 1.5,427 2.275,428 1,429 1.785,430 0.939,431 3.414,432 1.695,433 0.73,434 0.761,436 1.825,437 0.702,438 1.416,439 0.817,440 3.088,441 1.067,442 0.186,443 0.216,445 0.464,446 0.151,447 1.228,448 0.637,449 3.002,450 0.833,451 -0.107,452 -0.131,454 -0.262,455 -0.092,456 0.762,457 0.127,458 2.622,459 0.639,460 -0.301,461 -0.311,463 -0.744,464 -0.28,465 0.727,466 -0.019,467 2.427,468 0.311,469 -0.612,470 -0.717,472 -1.574,473 -0.477,474 12.581,475 0.484,476 0.877,477 0.034,478 32.5,479 1.25,480 15,481 0.577,482 17.5,483 0.673,484 23.304,485 0.896,486 28.219,487 0.588,488 23.564,489 0.906,490 6.221,491 0.239,492 6.16,493 0.237,494 0.202,495 0.04,496 0.342,501 0.756,502 1.434,503 0.646,504 1.057,505 0.599,506 0.954,507 0.684,508 0.889,509 0.65,510 0.717,511 0.387,512 0.742,513 1.009,514 1.35,515 1.006,516 1.194,517 0.743,518 1.166,519 0.947,520 0.982,521 0.902,522 0.988,523 0.656,524 1.014,525 0.967,526 1.169,527 0.803,528 1.191,529 1.187,530 1.188,531 1.206,532 0.619,533 0.655,534 0.617,535 1.164,536 0.635,537 1.04,538 1.021,539 0.739,540 1.027,541 1.15,542 0.949,543 1.669,544 0.832,545 0.924,546 0.768,547 2.428,548 0.903,549 7,550 0.142,551 4,552 3.521,553 1.588,554 0.819,555 0.612,556 0.293,557 0.324,558 0.222,559 8180,560 21538,561 2.069,562 45.8,563 3,564 15,565 1,567 1,569 2,572 1.688,573 1.891,574 3.364,575 -0.332,582 76.777,583 1.6,584 3.572,585 4.529,586 4.98,587 5.038,588 5.038,589 2.844,590 4.393,591 4.672,592 3.539,593 1150.28,594 8.078,595 14192.9,597 1,600 268.078,601 1.693,602 4.603,603 0.241,604 0.007,605 0.091,606 0.078,607 0.042,608 0.028,609 0.024,610 0.012,611 0.015,612 0.011,613 0.55,614 0.5,615 1,616 0.638,617 127.062,618 -0.027,619 -0.231,620 0.04,621 -0.076,622 -0.053,623 -0.009,624 0.213,625 0.27,626 0.124,627 0.221,628 0.237,629 0.186,630 -0.123,631 -0.269,632 -0.153,633 -0.217,634 -0.038,635 -0.208,636 -0.1,637 0.034,638 -0.074,639 -0.058,640 0.061,641 -0.054,642 0.03,643 -0.236,644 -0.053,645 -0.245,646 -0.032,647 -0.215,649 0.198,650 0.245,651 0.33,652 -0.03,653 0.359,654 0.301,655 -0.053,656 0.154,657 -0.067,658 0.233,659 -0.003,660 -0.216,661 0.207,662 -0.118,663 0.132,664 -0.322,665 -0.01,666 2.177,667 5.206,668 0.692,669 22.254,670 1.002,671 1.125,672 3.57,673 12.743,674 0.675,675 3.401,676 3.807,677 4.127,678 4.466,679 4.673,680 4.736,681 4.913,682 4.97,683 4.977,684 5.03,685 6.31,686 0.637,687 371.9,688 3.401,689 4.99,690 5.878,691 6.808,692 7.719,693 8.658,694 9.583,695 10.528,696 11.464,697 12.414,698 6.3,701 1,704 1,705 1,715 7,720 5,722 12,736 1,737 1,740 1,741 48,743 13,744 2,745 29,747 51,748 20,749 12,750 5,751 7,756 4,757 7,758 1,763 1,764 1,766 1,767 1,770 1,772 13,773 7,777 1,782 1,786 1,790 1,793 22,794 5,795 1,796 6,797 1,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 3,865 1,868 26,876 2,877 1,878 1,880 1,881 2,882 1,892 1,893 4.2,896 1,898 1,901 13.75,902 9.543,903 5.486,904 2.802,907 2.147,908 1.281,909 0.97,910 4.376,911 9.793,912 3.611,913 4.205,914 4.723,915 5.277,916 5.771,917 5.919,918 6.253,919 6.492,920 6.612,921 6.817,922 1,923 45,924 9.617,926 4.16,927 0.026,929 7.681,931 18.564,933 15.811,936 2.181,937 56.694,940 1,941 247.193,942 120.798,943 24.259,944 39.149,945 36.145,948 120.798,949 322.487,950 24.259,951 25.618,952 22.651,953 66.334,954 25.145,955 34.692,956 18.534,957 235.422,958 39.149,959 247.193,960 145.057,961 36.145,962 39.149,964 223.651,965 59.687,968 34.601,969 110.456,970 39.149,972 247.193,973 60.404,974 159.946,977 247.193,978 28.846,979 98.2,980 18.011,981 75.293,982 247.193,983 60.404,984 159.946,986 0.604,987 0.359,988 0.199,989 0.107,990 24,991 11,992 0.059,993 3,994 2,995 1.222,996 3.733,997 228.774,998 0.222,999 18,1000 118.211,1005 17.65,1006 6.446,1007 2.996,1009 60.404,1010 12.813,1015 4.265,1017 18.011,1018 467.544,1019 36,1024 12.206,1028 -0.51,1031 48.12,1032 54.01,1034 0.286,1035 0.64,1036 0.811,1037 0.892,1038 0.902,1039 0.902,1040 4.913,1041 1.462,1042 5.932,1043 4.896,1044 4.489,1045 4.89,1046 2.466,1047 6.87,1048 4.384,1049 6.141,1050 1.133,1051 7.578,1052 4.313,1053 4.369,1054 4.808,1055 1.905,1056 8.236,1057 4.216,1058 7.482,1059 1,1060 9.341,1061 3.06,1062 6.24,1063 7.02,1064 3.531,1065 11.402,1066 6.066,1067 8.857,1068 0.73,1069 11.181,1070 2.275,1071 6.938,1072 7.672,1073 3.612,1074 13.688,1075 6.748,1076 10.267,1077 0.186,1078 13.076,1079 1.825,1080 8.38,1081 9.445,1082 4.913,1083 16.515,1084 8.175,1085 11.703,1086 -0.107,1087 15.013,1088 0.464,1089 9.443,1090 10.446,1091 5.293,1092 19.117,1093 9.232,1094 13.162,1095 -0.301,1096 16.984,1097 -0.262,1098 10.768,1099 12.039,1100 6.388,1101 21.868,1102 10.544,1103 3.737,1104 -0.612,1105 18.981,1106 -0.744,1107 11.983,1108 13.226,1109 6.931,1110 24.561,1111 11.751,1112 2.734,1113 15.306,1114 20.998,1115 -1.574,1116 13.287,1117 14.733,1118 7.902,1119 27.295,1120 13.04,1121 2.616,1122 8.83,1123 23.03,1124 4.206,1125 14.563,1126 16.024,1127 8.539,1128 30.013,1129 14.303,1130 2.443,1131 8.459,1132 25.074,1133 3.63,1134 15.869,1135 17.489,1136 9.436,1137 32.743,1138 15.592,1139 2.35,1140 7.612,1141 27.127,1142 3.315,1143 17.169,1144 18.841,1145 10.13,1146 35.468,1147 16.875,1148 2.121,1149 6.914,1150 29.187,1151 2.921,1152 18.48,1153 20.285,1154 10.981,1155 38.197,1156 18.167,1157 1.787,1158 5.871,1159 31.251,1160 2.721,1161 19.79,1162 21.671,1163 11.71,1164 40.924,1165 19.458,1166 7773,1167 12793,1168 18.898,1169 32.398,1170 45.065,1171 46.161,1172 47.231,1173 44.709,1174 44.599,1175 54.525,1176 8.422,1177 139.652,1178 42.107,1179 5.797,1180 5.973,1181 7.42,1182 5.805,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 14.439,1189 1.554,1190 1.592,1191 1.629,1192 1.542,1193 1.538,1194 1.88,1195 0.29,1196 4.816,1197 1.452,1198 4.092,1199 4.13,1200 4.045,1201 3.996,1202 7.435,1203 4.001,1204 3.905,1205 3.933,1206 3.985,1207 3.838,1208 4.949,1209 3.833,1210 3.699,1211 3.741,1212 3.629,1213 3.563,1214 4.828,1215 3.566,1216 3.4,1217 3.437,1218 3.459,1219 3.121,1220 4.459,1221 3.165,1222 3.273,1223 3.362,1224 3.199,1225 3.048,1226 4.36,1227 3.045,1228 3.228,1229 3.31,1230 3.076,1231 3.01,1232 4.119,1233 3.012,1234 2.976,1235 3.093,1236 3.021,1237 2.762,1238 3.904,1239 2.729,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.855,1245 2.715,1246 0.167,1247 0.137,1248 0.276,1249 0.163,1250 0.129,1251 4.832,1252 0.145,1253 3.973,1254 0.075,1255 8.006,1256 0.528,1257 4.714,1258 0.126,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.906,1265 1.887,1266 2.005,1267 2.005,1268 1.31,1269 2.003,1270 1.875,1271 1.851,1272 1.968,1273 1.959,1274 1.06,1275 1.969,1276 1.633,1277 1.577,1278 1.832,1279 1.836,1280 1.056,1281 1.837,1282 1.534,1283 1.453,1284 1.787,1285 1.753,1286 1.012,1287 1.774,1288 1.253,1289 1.205,1290 1.58,1291 1.556,1292 0.644,1293 1.543,1294 1.148,1295 1.082,1296 1.453,1297 1.438,1298 0.563,1299 1.422,1300 1.014,1301 0.899,1302 1.274,1303 1.291,1304 0.347,1305 1.353,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.226,1311 1.107,1312 4.078,1314 5.46,1315 3.045,1316 7.033,1317 5.638,1318 8.7,1319 7.921,1320 10.426,1322 6.584,1323 5.86,1328 2.152,1329 2.719,1330 5.514,1332 0.343,1333 4.702,1334 0.046,1340 30.589,1341 76.777,1342 171.472,1343 217.407,1344 239.059,1345 241.814,1346 241.814,1347 39.622,1348 7.645,1349 44.81,1350 44.81,1351 22,1352 12.906,1353 3.807,1354 3,1355 38.266,1356 99,1357 110,1358 0.192,1359 189.26,1360 330.63,1361 453.555,1362 21498,1363 2.1,1364 18.474,1365 0.711,1366 0.611,1367 18.974,1368 15.878,1369 12.381,1370 0.427,1371 0.313,1372 8.61,1373 11.617,1374 8.261,1375 6.85,1376 12.67,1377 9.082,1378 12.059,1379 0.274,1380 0.177,1381 12.467,1382 7.769,1383 10.221,1384 0.168,1385 0.096,1386 10.51,1387 5.855,1388 9.034,1389 0.105,1390 0.053,1391 9.201,1392 4.528,1393 7.133,1394 0.067,1395 0.029,1396 7.369,1397 3.055,1398 0.302,1399 80.544,1400 0.23,1401 25.049,1402 0.523,1403 146,1404 393.298,1405 174.878,1406 409.644,1407 555.99,1408 382,1409 178,1410 395.955,1411 201.4,1412 412.06,1413 607.87,1414 385,1415 5.745}
{0 CHEMBL609440,1 1.694,2 14.906,3 4.795,4 22.991,5 120.993,6 8.557,7 0.6,8 4.093,9 4.174,10 3.811,11 3.652,12 5.303,13 3.638,14 4.607,15 4.733,16 4.184,17 4.039,18 5.85,19 4.009,20 4.769,21 4.901,22 4.221,23 4.135,24 5.998,25 4.074,26 4.845,27 5.011,28 4.12,29 4.132,30 5.981,31 4.048,32 4.842,33 5.047,34 4.022,35 4.05,36 5.896,37 3.96,38 4.735,39 4.916,40 3.93,41 4.007,42 5.875,43 3.895,44 4.661,45 4.87,46 3.834,47 3.899,48 5.795,49 3.773,50 4.513,51 4.696,52 3.713,53 3.716,54 5.694,55 3.661,56 0.19,57 0.725,58 8.905,59 5.14,60 8.606,61 5.559,62 0.53,63 1.158,64 19.442,65 8.695,66 55.932,67 9.239,68 0.775,69 1.34,70 25.562,71 10.676,72 56.587,73 11.422,74 0.516,75 1.432,76 29.231,77 11.993,78 54.258,79 13.437,80 0.69,81 1.399,82 32.201,83 11.684,84 57.893,85 13.532,86 0.621,87 1.283,88 27.746,89 10.802,90 65.827,91 12.14,92 0.606,93 1.201,94 29.243,95 10.636,96 57.268,97 12.751,98 0.505,99 0.99,100 22.244,101 7.955,102 51.724,103 9.011,104 35,105 49,106 0.277,107 0.618,108 0.754,109 0.827,110 0.833,111 0.839,112 3.501,113 0.924,114 -4.01,115 -3.96,116 -3.76,121 43.4,123 2,126 2,127 1,144 7,145 2,146 2,147 2,154 3,155 1,159 1,168 2,176 7,179 2,180 6,187 9,189 2,191 3,192 9,194 1,200 7,203 2,206 7,214 3,216 2,219 8,221 1,227 7,229 1,232 1,234 2,239 10,243 2,244 5,246 1,251 6,256 8,264 6,266 2,269 5,277 1,279 1,281 1820,282 21.651,283 21.651,284 21.651,285 21.651,286 21.651,287 18.828,288 26.278,289 12.539,290 22.292,291 17.142,292 17.142,293 17.142,294 17.142,295 17.142,296 12.643,297 32.424,298 5.81,299 17.989,300 4.034,301 1.947,302 1.116,303 0.67,304 0.632,305 0.595,306 4.195,311 1,312 1,313 1027,314 3.937,317 187.359,318 218.944,321 154.155,325 2.418,326 37.048,329 1,330 0.83,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.85,337 71,338 477,339 4.565,340 3.783,341 6.437,342 4.067,343 3.12,344 4.502,345 2.612,346 10.099,347 2.95,348 4.313,349 3.615,350 6.068,351 3.852,352 2.876,353 4.021,354 1.277,355 8.762,356 2.806,357 4.091,358 3.241,359 6.008,360 3.717,361 2.752,362 3.646,363 0.86,364 8.625,365 2.669,366 4.037,367 2.938,368 5.709,369 3.597,370 2.639,371 3.571,372 0.86,373 7.575,374 2.531,375 3.729,376 2.724,377 5.56,378 3.331,379 2.365,380 3.14,381 0.522,382 7.423,383 2.266,384 3.673,385 2.671,386 5.282,387 3.24,388 2.257,389 3.041,391 6.735,392 2.2,393 3.392,394 2.264,395 4.905,396 2.916,397 1.956,398 2.696,400 5.62,401 1.868,402 3.178,403 2.215,404 4.717,405 2.698,406 1.771,407 2.471,409 5.118,410 1.628,411 2.722,412 1.681,413 4.113,414 2.248,415 1.284,416 1.736,418 3.484,419 1.217,420 2.687,421 1.652,422 3.943,423 2.104,424 1.136,425 1.687,427 2.841,428 1.101,429 2.5,430 1.427,431 3.674,432 1.984,433 1.108,434 1.5,436 2.677,437 0.983,438 2.399,439 1.1,440 3.414,441 1.983,442 1,443 1.376,445 2.275,446 0.945,447 2.177,448 1.001,449 3.253,450 1.661,451 0.661,452 1.001,454 1.61,455 0.661,456 1.841,457 1,458 3.094,459 1.544,460 0.531,461 0.653,463 1.232,464 0.53,465 1.554,466 1,467 2.887,468 1.208,469 0.357,470 0.392,472 0.486,473 0.302,474 15.133,475 0.473,476 0.797,477 0.025,478 43.25,479 1.352,480 22.5,481 0.703,482 20.75,483 0.648,484 25.542,485 0.798,486 34.367,487 0.648,488 33.372,489 1.043,490 8.705,491 0.272,492 6.756,493 0.211,494 0.132,496 0.35,501 0.616,502 1.148,503 0.669,504 0.983,505 0.512,506 0.908,507 0.927,508 0.868,509 0.799,510 0.797,511 0.522,512 0.775,513 0.81,514 1.043,515 1.072,516 1.094,517 0.709,518 1.069,519 0.864,520 1.221,521 1.117,522 1.276,523 0.922,524 1.213,525 0.941,526 0.858,527 0.992,528 0.949,529 0.693,530 0.948,531 0.898,532 1.036,533 1.222,534 1.125,535 1.162,536 1.152,537 0.496,538 1.054,539 1.166,540 1.209,541 0.64,542 1.082,543 1.138,544 0.999,545 1.039,546 1.005,547 1.135,548 0.979,549 7.5,550 0.2,551 3.556,552 2.014,553 2.002,554 0.98,555 0.754,556 0.458,557 0.236,558 0.212,559 16599,560 54972,561 2.063,562 39.6,563 2,564 15,566 2,568 2,572 1.737,573 1.92,574 3.847,575 -0.712,582 89.789,583 1.694,584 3.781,585 4.612,586 5.058,587 5.096,588 5.133,589 3.296,590 4.226,591 4.971,592 4.053,593 2010.44,594 8.649,595 31672.8,597 1,600 303.58,601 1.448,602 4.925,603 0.214,604 0.008,605 0.073,606 0.042,607 0.047,608 0.025,609 0.022,610 0.014,611 0.008,612 0.008,613 0.461,614 0.33,615 1,616 0.895,617 173.227,618 0.088,619 -0.053,620 0.074,621 -0.013,622 -0.001,623 -0.011,624 -0.022,625 0.181,626 0.104,627 0.2,628 0.122,629 0.158,630 0.106,631 -0.014,632 -0.081,633 -0.047,634 0.048,635 -0.111,636 -0.063,637 -0.236,638 -0.119,639 -0.236,640 -0.072,641 -0.205,642 -0.075,643 0.108,644 0.036,645 0.057,646 -0.003,647 0.083,648 -0.066,649 -0.042,650 -0.161,651 -0.066,652 -0.126,653 -0.134,654 0.209,655 -0.066,656 0.005,657 -0.089,658 0.153,659 -0.003,660 -0.153,661 -0.042,662 -0.063,663 -0.03,664 -0.067,665 0.015,666 2.558,667 5.737,668 0.625,669 40.039,670 1.021,671 1.115,672 2.783,673 7.744,674 0.691,675 3.584,676 3.912,677 4.174,678 4.407,679 4.605,680 4.691,681 4.779,682 4.898,683 4.868,684 4.868,685 8.772,686 0.67,687 453.53,688 3.584,689 5.13,690 5.979,691 6.853,692 7.72,693 8.597,694 9.47,695 10.348,696 11.225,697 12.105,698 3.8,708 1,709 1,714 2,715 9,718 1,719 1,720 6,721 1,722 21,727 1,735 1,739 2,741 53,743 24,744 1,745 35,747 56,748 23,749 17,750 4,751 2,752 1,756 4,757 5,770 2,772 18,773 5,777 3,779 1,782 3,786 1,792 1,793 21,794 6,796 9,797 1,802 2,803 1,808 0.75,809 6,822 1,828 2,829 2,832 1,859 3,862 1,864 2,868 32,876 3,878 2,888 1,893 11.3,896 1,898 3,899 2,901 16.667,902 10.367,903 7.111,904 3.013,907 4.04,908 1.508,909 0.976,910 6.866,911 11.993,912 3.902,913 4.543,914 5.127,915 5.707,916 6.212,917 6.552,918 6.875,919 7.272,920 7.353,921 7.501,922 0.9,923 48,924 11.808,926 5.03,927 0.026,929 7.964,931 22.089,933 17.85,936 2.464,937 78.833,940 1,941 247.193,942 178.599,943 7.569,945 107.399,947 31.278,948 147.321,949 354.592,950 7.569,951 27.436,952 7.175,953 66.334,954 55.72,955 70.867,956 7.553,957 254.929,958 50.747,959 247.193,960 154.89,961 107.399,962 31.278,964 247.193,965 56.652,966 50.747,968 30.29,969 117.032,970 7.569,971 31.278,972 247.193,973 114.968,974 178.599,977 247.193,978 72.404,979 113.764,981 107.399,982 247.193,983 114.968,984 178.599,986 0.582,987 0.345,988 0.178,989 0.097,990 23,991 11,992 0.161,993 9,994 1,995 1.1,996 4.44,997 279.117,998 0.1,999 20,1000 154,1001 1,1005 22.429,1006 9.796,1007 5.189,1008 1.93,1009 107.399,1010 16.203,1013 5.182,1014 1.449,1015 3.253,1016 1.862,1018 540.76,1019 48.5,1021 -0.558,1024 34.17,1028 0.087,1031 54.138,1032 59.117,1034 0.296,1035 0.66,1036 0.805,1037 0.883,1038 0.89,1039 0.896,1040 5.131,1041 1.771,1042 5.969,1043 5.62,1044 4.595,1045 5.231,1046 2.943,1047 6.765,1048 4.509,1049 6.359,1050 1.284,1051 7.523,1052 5.118,1053 4.205,1054 5.147,1055 2.361,1056 7.612,1057 4.084,1058 7.681,1059 1.136,1060 9.17,1061 3.484,1062 6.188,1063 7.492,1064 4.268,1065 10.66,1066 6.027,1067 9.038,1068 1.108,1069 10.867,1070 2.841,1071 6.594,1072 8.219,1073 4.506,1074 12.285,1075 6.387,1076 10.422,1077 1,1078 12.597,1079 2.677,1080 8.041,1081 10.034,1082 5.975,1083 14.836,1084 7.802,1085 11.826,1086 0.661,1087 14.347,1088 2.275,1089 8.803,1090 11.131,1091 6.556,1092 16.798,1093 8.509,1094 13.244,1095 0.531,1096 16.112,1097 1.61,1098 10.038,1099 12.742,1100 7.801,1101 19.172,1102 9.712,1103 3.12,1104 0.357,1105 17.888,1106 1.232,1107 10.971,1108 14.025,1109 8.548,1110 21.296,1111 10.588,1112 2.876,1113 10.099,1114 19.673,1115 0.486,1116 12.119,1117 15.552,1118 9.671,1119 23.604,1120 11.7,1121 2.752,1122 8.762,1123 21.464,1124 4.502,1125 13.137,1126 16.931,1127 10.509,1128 25.808,1129 12.66,1130 2.639,1131 8.625,1132 23.262,1133 4.021,1134 14.253,1135 18.425,1136 11.564,1137 28.096,1138 13.734,1139 2.365,1140 7.575,1141 25.065,1142 3.646,1143 15.314,1144 19.855,1145 12.452,1146 30.343,1147 14.738,1148 2.257,1149 7.423,1150 26.873,1151 3.571,1152 16.42,1153 21.34,1154 13.468,1155 32.628,1156 15.797,1157 1.956,1158 6.735,1159 28.684,1160 3.14,1161 17.504,1162 22.798,1163 14.386,1164 34.897,1165 16.824,1166 15805,1167 28963,1168 23.175,1169 36.619,1170 52.345,1171 54.819,1172 54.126,1173 52.002,1174 52.11,1175 71.487,1176 12.263,1177 150.04,1178 49.726,1179 5.441,1180 5.783,1181 5.978,1182 5.184,1183 5.12,1184 7.502,1185 4.612,1186 16.854,1187 4.95,1188 17.692,1189 1.496,1190 1.566,1191 1.546,1192 1.486,1193 1.489,1194 2.042,1195 0.35,1196 4.287,1197 1.421,1198 4.102,1199 4.109,1200 4.339,1201 4.111,1202 7.815,1203 4.062,1204 4.032,1205 4.049,1206 4.003,1207 3.879,1208 7.427,1209 3.894,1210 3.902,1211 3.928,1212 3.854,1213 3.726,1214 6.999,1215 3.752,1216 3.625,1217 3.649,1218 3.627,1219 3.481,1220 5.016,1221 3.486,1222 3.465,1223 3.487,1224 3.446,1225 3.247,1226 4.964,1227 3.245,1228 3.366,1229 3.399,1230 3.332,1231 3.022,1232 4.746,1233 3.09,1234 3.249,1235 3.314,1236 3.077,1237 2.967,1238 4.527,1239 2.97,1240 3.106,1241 3.165,1242 2.985,1243 2.848,1244 4.496,1245 2.876,1246 0.13,1247 0.108,1248 0.184,1249 0.116,1250 0.089,1251 4.565,1252 0.129,1253 3.783,1254 0.075,1255 6.437,1256 0.289,1257 4.067,1258 0.084,1259 3.12,1260 4.502,1261 2.612,1262 10.099,1263 2.95,1264 1.935,1265 1.904,1266 2.059,1267 2.082,1268 1.258,1269 2.077,1270 1.908,1271 1.894,1272 1.963,1273 1.987,1274 1.14,1275 1.983,1276 1.648,1277 1.63,1278 1.793,1279 1.955,1280 1.037,1281 1.827,1282 1.558,1283 1.532,1284 1.667,1285 1.795,1286 0.791,1287 1.803,1288 1.462,1289 1.45,1290 1.581,1291 1.618,1292 0.648,1293 1.624,1294 1.267,1295 1.221,1296 1.572,1297 1.526,1298 0.582,1299 1.541,1300 1.214,1301 1.169,1302 1.534,1303 1.51,1304 0.575,1305 1.53,1306 1.174,1307 1.098,1308 1.364,1309 1.361,1310 0.547,1311 1.402,1312 4.263,1314 5.587,1315 3.045,1316 7.089,1317 5.352,1318 8.67,1319 7.413,1320 10.295,1322 3.176,1328 1.407,1330 10.672,1340 35.523,1341 89.789,1342 200.379,1343 244.419,1344 268.07,1345 270.07,1346 272.07,1347 63.964,1348 7.953,1349 98.37,1350 126.61,1351 22,1352 12.642,1353 4.644,1354 3.858,1355 52.428,1356 172,1357 154,1358 0.147,1359 219.78,1360 378.95,1361 528.023,1362 36091,1364 22.665,1365 0.708,1366 0.576,1367 23.018,1368 18.439,1369 15.461,1370 0.442,1371 0.308,1372 9.834,1373 14.168,1374 9.522,1375 7.89,1376 15.869,1377 10.779,1378 13.92,1379 0.284,1380 0.17,1381 14.562,1382 8.353,1383 11.797,1384 0.184,1385 0.099,1386 12.634,1387 6.306,1388 9.358,1389 0.116,1390 0.056,1391 10.231,1392 4.51,1393 7.473,1394 0.075,1395 0.032,1396 8.284,1397 3.122,1398 0.243,1399 102.984,1400 0.208,1401 30.784,1402 0.375,1403 168,1404 591.252,1405 214.06,1406 571.883,1407 763.59,1408 532,1409 197,1410 539.361,1411 242.101,1412 552.237,1413 800.05,1414 515,1415 5.573}
{0 CHEMBL609668,1 1.511,2 11.704,3 3.911,4 15.293,5 104.637,6 7.067,7 0.4,8 4.054,9 4.173,10 3.587,11 3.545,12 5.105,13 3.531,14 4.627,15 4.811,16 3.995,17 3.974,18 5.65,19 3.946,20 4.852,21 5.027,22 4.073,23 4.18,24 5.812,25 4.115,26 5.059,27 5.304,28 3.968,29 4.217,30 5.962,31 4.102,32 5.006,33 5.254,34 3.774,35 4.082,36 5.955,37 3.933,38 4.882,39 5.184,40 3.561,41 3.796,42 5.715,43 3.661,44 4.401,45 4.603,46 3.554,47 3.568,48 5.537,49 3.51,50 4.396,51 4.604,52 3.464,53 3.535,54 5.541,55 3.48,56 0.01,57 0.757,58 11.587,59 4.769,60 8.77,61 6.443,62 0.436,63 1.241,64 22.717,65 7.753,66 36.973,67 10.893,68 0.186,69 1.546,70 27.752,71 10.413,72 28.154,73 14.424,74 0.347,75 1.744,76 36.288,77 12.219,78 44.262,79 17.861,80 0.37,81 1.528,82 34.9,83 12.474,84 55.642,85 17.735,86 0.508,87 1.208,88 33.138,89 10.29,90 53.623,91 14.984,92 0.463,93 0.871,94 18.956,95 6.227,96 39.88,97 8.619,98 0.356,99 0.861,100 19.038,101 5.831,102 43.941,103 7.998,104 27,105 45,106 0.254,107 0.587,108 0.769,109 0.839,110 0.857,111 0.857,112 3.34,113 0.913,114 -4.03,115 -3.98,116 -3.77,121 40.4,122 1,123 1,125 1,126 3,127 1,130 1,144 7,145 1,146 4,161 1,176 7,179 2,180 9,183 2,185 2,187 8,192 10,197 2,200 7,206 9,211 2,214 3,218 1,219 9,222 1,224 2,227 2,231 1,232 1,237 1,239 4,243 3,244 2,247 1,249 2,251 8,255 1,259 1,264 6,269 4,277 6,281 1068,282 18.004,283 18.004,284 18.004,285 18.004,286 18.004,287 16.465,288 29.11,289 10.171,290 18.547,291 14.693,292 14.693,293 14.693,294 14.693,295 14.693,296 12.242,297 41.14,298 4.722,299 15.468,300 4.189,301 2.207,302 1.119,303 0.702,304 0.597,305 0.597,306 4.031,310 1,311 1,312 1,313 693,314 3.606,317 108.51,318 149.236,320 87.534,321 92.841,324 129.796,325 1.737,326 21.091,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 58.5,338 316,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 4.075,349 3.675,350 6.211,351 3.691,352 2.74,353 3.649,354 0.966,355 8.83,356 2.603,357 3.963,358 2.869,359 6.169,360 3.596,361 2.632,362 3.316,363 0.86,364 8.459,365 2.537,366 3.694,367 2.818,368 5.591,369 3.39,370 2.451,371 2.94,372 0.693,373 7.661,374 2.286,375 3.516,376 2.742,377 5.394,378 3.307,379 2.374,380 2.744,381 0.366,382 7.042,383 2.203,384 3.394,385 2.521,386 5.156,387 3.103,388 2.169,389 2.498,391 6.39,392 2.018,393 3.207,394 2.376,395 4.785,396 2.784,397 1.812,398 2.364,400 4.964,401 1.74,402 2.616,403 1.746,404 4.571,405 2.412,406 1.463,407 1.63,409 4.321,410 1.382,411 2.518,412 1.171,413 4.213,414 2.128,415 1.133,416 1.522,418 3.06,419 1.126,420 2.5,421 1.161,422 3.723,423 2,424 1,425 1.5,427 2.275,428 1,429 1.787,430 1,431 3.414,432 1.695,433 0.731,434 0.763,436 1.826,437 0.703,438 1.738,439 0.932,440 3.089,441 1.455,442 0.583,443 0.648,445 0.986,446 0.503,447 1.242,448 0.741,449 3.045,450 0.95,451 0.047,452 0.053,454 0.112,455 0.042,456 1.135,457 0.418,458 2.732,459 0.752,460 -0.216,461 -0.255,463 -0.471,464 -0.205,465 0.762,466 -0.016,467 2.576,468 0.637,469 -0.307,470 -0.335,472 -0.749,473 -0.288,474 12.7,475 0.47,476 0.839,477 0.031,478 33.75,479 1.25,480 15.5,481 0.574,482 18.25,483 0.676,484 23.753,485 0.88,486 29.9,487 0.575,488 25.353,489 0.939,490 6.633,491 0.246,492 6.286,493 0.233,494 0.184,495 0.039,496 0.339,501 0.835,502 1.492,503 0.814,504 1.223,505 0.645,506 1.042,507 0.902,508 0.852,509 0.805,510 0.741,511 0.479,512 0.74,513 1.021,514 1.365,515 1.081,516 1.235,517 0.754,518 1.177,519 0.919,520 1.025,521 1.071,522 1.056,523 0.68,524 1.066,525 0.868,526 1.156,527 1.078,528 1.25,529 1.215,530 1.214,531 1.138,532 0.651,533 0.744,534 0.644,535 1.184,536 0.643,537 1.047,538 0.996,539 0.963,540 0.98,541 1.278,542 0.966,543 1.643,544 0.883,545 1.155,546 0.882,547 2.606,548 0.931,549 7,550 0.142,551 4,552 3.521,553 1.628,554 0.882,555 0.612,556 0.325,557 0.324,558 0.222,559 9181,560 21629,561 2.066,562 48.1,563 3,564 18,565 1,567 1,569 2,572 1.697,573 1.895,574 3.443,575 -0.346,577 1,582 78.578,583 1.511,584 3.493,585 4.582,586 4.998,587 5.104,588 5.104,589 2.936,590 4.357,591 4.725,592 3.628,593 1273.47,594 8.181,595 16296.4,597 1,599 1,600 296.423,601 1.675,602 4.66,603 0.233,604 0.007,605 0.089,606 0.075,607 0.041,608 0.029,609 0.024,610 0.012,611 0.013,612 0.01,613 0.534,614 0.5,615 1,616 0.803,617 134.305,618 -0.019,619 -0.264,620 0.078,621 -0.12,622 -0.044,623 -0.023,624 0.147,625 0.298,626 0.162,627 0.258,628 0.216,629 0.223,630 -0.118,631 -0.249,632 -0.151,633 -0.191,634 -0.034,635 -0.181,636 -0.097,637 0.004,638 -0.11,639 -0.086,640 0.053,641 -0.089,642 0.047,643 -0.224,644 -0.107,645 -0.256,646 -0.032,647 -0.217,648 0.01,649 0.16,650 0.301,651 0.281,652 -0.015,653 0.328,654 0.298,655 0.013,656 0.053,657 -0.006,658 0.17,659 -0.016,660 -0.166,661 0.14,662 -0.117,663 0.058,664 -0.244,665 -0.011,666 2.17,667 5.277,668 0.667,669 24.247,670 1,671 1.129,672 2.798,673 7.827,674 0.649,675 3.434,676 3.829,677 4.159,678 4.489,679 4.691,680 4.771,681 4.942,682 4.997,683 4.99,684 5.056,685 6.652,686 0.615,687 367.49,688 3.434,689 5.017,690 5.905,691 6.832,692 7.743,693 8.679,694 9.604,695 10.547,696 11.481,697 12.429,698 5.8,701 1,704 1,705 1,715 7,720 5,722 12,736 1,737 1,739 1,741 52,743 13,744 2,745 30,747 55,748 21,749 12,750 5,751 7,756 4,757 7,763 1,764 1,766 1,767 1,770 1,772 13,773 8,777 1,782 1,786 1,790 1,793 25,794 6,795 1,796 6,802 3,808 0.5,809 3,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 4,868 27,876 2,877 1,878 2,880 1,881 2,882 1,893 5.8,896 1,898 2,901 14.25,902 10.567,903 5.819,904 2.975,907 2.172,908 1.281,909 0.957,910 4.622,911 9.903,912 3.638,913 4.22,914 4.749,915 5.3,916 5.792,917 5.964,918 6.294,919 6.523,920 6.621,921 6.839,922 0.875,923 47,924 9.989,926 4.268,927 0.026,929 7.651,931 19.313,933 16.221,936 2.151,937 58.083,939 1,940 1,941 282.506,942 133.423,943 24.259,945 47.145,948 133.423,949 329.651,950 24.259,951 36.501,952 22.651,953 66.334,954 25.145,955 47.434,956 18.534,957 270.735,959 282.506,960 157.683,961 47.145,964 258.964,965 70.687,968 34.601,969 123.082,972 282.506,973 71.404,974 133.423,977 282.506,978 30.589,979 109.083,980 18.011,981 47.145,982 282.506,983 71.404,984 133.423,986 0.598,987 0.363,988 0.201,989 0.105,990 24,991 11,992 0.073,993 4,994 2,995 1.222,996 3.831,997 238.847,998 0.222,999 18,1000 124.382,1005 18.293,1006 6.823,1007 3.098,1009 71.404,1010 13.043,1015 4.405,1017 18.011,1018 487.334,1019 37,1024 12.277,1028 -0.503,1031 52.007,1032 58.69,1034 0.265,1035 0.613,1036 0.804,1037 0.877,1038 0.895,1039 0.895,1040 4.934,1041 1.463,1042 5.953,1043 4.964,1044 4.511,1045 4.905,1046 2.584,1047 6.889,1048 4.419,1049 6.156,1050 1.133,1051 7.597,1052 4.321,1053 4.369,1054 4.808,1055 1.905,1056 8.25,1057 4.251,1058 7.495,1059 1,1060 9.359,1061 3.06,1062 6.26,1063 7.032,1064 3.563,1065 11.413,1066 6.101,1067 8.869,1068 0.731,1069 11.196,1070 2.275,1071 6.948,1072 7.683,1073 3.612,1074 13.694,1075 6.779,1076 10.279,1077 0.583,1078 13.089,1079 1.826,1080 8.395,1081 9.457,1082 4.919,1083 16.519,1084 8.201,1085 11.715,1086 0.047,1087 15.025,1088 0.986,1089 9.451,1090 10.458,1091 5.293,1092 19.118,1093 9.252,1094 13.174,1095 -0.216,1096 16.993,1097 0.112,1098 10.776,1099 12.05,1100 6.389,1101 21.869,1102 10.559,1103 3.737,1104 -0.307,1105 18.988,1106 -0.471,1107 11.989,1108 13.238,1109 6.931,1110 24.562,1111 11.762,1112 2.74,1113 15.306,1114 21.003,1115 -0.749,1116 13.292,1117 14.744,1118 7.902,1119 27.295,1120 13.049,1121 2.632,1122 8.83,1123 23.034,1124 4.206,1125 14.567,1126 16.035,1127 8.539,1128 30.013,1129 14.309,1130 2.451,1131 8.459,1132 25.077,1133 3.649,1134 15.872,1135 17.499,1136 9.436,1137 32.743,1138 15.596,1139 2.374,1140 7.661,1141 27.129,1142 3.316,1143 17.171,1144 18.85,1145 10.13,1146 35.468,1147 16.878,1148 2.169,1149 7.042,1150 29.188,1151 2.94,1152 18.481,1153 20.294,1154 10.981,1155 38.197,1156 18.169,1157 1.812,1158 6.39,1159 31.252,1160 2.744,1161 19.791,1162 21.679,1163 11.71,1164 40.924,1165 19.459,1166 8752,1167 13584,1168 19.592,1169 33.756,1170 46.096,1171 47.211,1172 48.733,1173 45.67,1174 45.746,1175 55.661,1176 10.142,1177 142.464,1178 43.596,1179 5.797,1180 5.973,1181 7.558,1182 5.806,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 14.922,1189 1.537,1190 1.574,1191 1.624,1192 1.522,1193 1.525,1194 1.855,1195 0.338,1196 4.749,1197 1.453,1198 4.092,1199 4.13,1200 4.04,1201 3.996,1202 7.435,1203 4.002,1204 3.912,1205 3.939,1206 3.856,1207 3.823,1208 4.886,1209 3.826,1210 3.7,1211 3.741,1212 3.617,1213 3.563,1214 4.819,1215 3.566,1216 3.419,1217 3.453,1218 3.358,1219 3.123,1220 4.463,1221 3.173,1222 3.285,1223 3.373,1224 3.12,1225 3.049,1226 4.388,1227 3.051,1228 3.247,1229 3.336,1230 3.051,1231 3.026,1232 4.126,1233 3.023,1234 3.174,1235 3.237,1236 2.996,1237 2.883,1238 3.907,1239 2.902,1240 2.976,1241 3.093,1242 2.687,1243 2.761,1244 3.865,1245 2.726,1246 0.161,1247 0.132,1248 0.267,1249 0.157,1250 0.125,1251 4.832,1252 0.14,1253 3.973,1254 0.073,1255 8.006,1256 0.51,1257 4.714,1258 0.122,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.906,1265 1.887,1266 2.006,1267 2.013,1268 1.31,1269 2.007,1270 1.876,1271 1.852,1272 1.984,1273 1.973,1274 1.063,1275 1.978,1276 1.633,1277 1.577,1278 1.832,1279 1.836,1280 1.057,1281 1.837,1282 1.534,1283 1.453,1284 1.787,1285 1.754,1286 1.012,1287 1.774,1288 1.27,1289 1.226,1290 1.582,1291 1.597,1292 0.644,1293 1.571,1294 1.211,1295 1.125,1296 1.572,1297 1.496,1298 0.576,1299 1.524,1300 1.088,1301 1.025,1302 1.453,1303 1.405,1304 0.563,1305 1.389,1306 1.014,1307 0.899,1308 1.269,1309 1.291,1310 0.347,1311 1.353,1312 4.111,1314 5.485,1315 3.045,1316 7.055,1317 5.638,1318 8.721,1319 7.921,1320 10.445,1322 8.2,1328 2.154,1329 2.746,1330 10.663,1332 0.343,1333 4.709,1334 0.046,1340 32.003,1341 78.578,1342 181.633,1343 238.242,1344 259.894,1345 265.403,1346 265.403,1347 40.68,1348 7.731,1349 54.04,1350 54.04,1351 22,1352 12.923,1353 3.807,1354 3,1355 40.502,1356 108,1357 127,1358 0.185,1359 194.516,1360 341.51,1361 466.379,1362 24201,1364 19.181,1365 0.71,1366 0.598,1367 19.181,1368 16.152,1369 12.919,1370 0.431,1371 0.304,1372 8.962,1373 12.307,1374 8.603,1375 7.177,1376 12.919,1377 9.127,1378 12.228,1379 0.272,1380 0.168,1381 12.228,1382 7.555,1383 10.629,1384 0.169,1385 0.093,1386 10.629,1387 5.848,1388 9.345,1389 0.106,1390 0.052,1391 9.345,1392 4.543,1393 7.231,1394 0.067,1395 0.028,1396 7.231,1397 2.993,1398 0.293,1399 81.712,1400 0.226,1401 25.977,1402 0.498,1403 150,1404 414.83,1405 166.237,1406 393.852,1407 544.99,1408 370,1409 183,1410 409.638,1411 199.3,1412 416.088,1413 612.11,1414 387,1415 5.77}
{0 CHEMBL609671,1 1.44,2 10.13,3 3.679,4 13.536,5 92.27,6 6.35,7 0.24,8 3.986,9 4.126,10 3.421,11 3.45,12 4.933,13 3.41,14 4.597,15 4.815,16 3.825,17 3.891,18 5.511,19 3.826,20 4.854,21 5.075,22 3.906,23 4.097,24 5.687,25 3.997,26 5.027,27 5.296,28 3.818,29 4.126,30 5.855,31 3.992,32 4.934,33 5.192,34 3.613,35 3.993,36 5.817,37 3.828,38 4.838,39 5.147,40 3.398,41 3.723,42 5.644,43 3.558,44 4.404,45 4.635,46 3.291,47 3.444,48 5.407,49 3.35,50 4.293,51 4.522,52 3.18,53 3.373,54 5.343,55 3.278,56 0.041,57 0.725,58 12.382,59 4.579,60 7.766,61 6.809,62 0.427,63 1.18,64 23.45,65 7.569,66 32.627,67 11.626,68 0.219,69 1.463,70 29.748,71 10.244,72 24.189,73 15.502,74 0.395,75 1.565,76 35.666,77 11.063,78 41.334,79 17.262,80 0.349,81 1.349,82 32.387,83 10.823,84 43.969,85 16.184,86 0.437,87 1.046,88 29.634,89 9.041,90 46.364,91 13.625,92 0.344,93 0.769,94 19.619,95 5.857,96 33.79,97 8.565,98 0.342,99 0.73,100 17.622,101 4.938,102 35.575,103 7.514,104 32,105 37,106 0.248,107 0.544,108 0.768,109 0.872,110 0.872,111 0.872,112 3.189,113 1.02,114 -3.83,115 -3.79,116 -3.6,121 36,122 2,123 3,125 1,126 2,127 2,130 1,144 3,145 1,146 2,161 1,176 7,179 2,180 7,183 2,185 1,187 7,192 8,197 1,200 5,206 7,211 3,214 3,218 1,219 7,224 2,227 2,231 1,232 3,237 1,239 2,243 1,244 2,247 1,249 2,251 4,255 1,259 1,264 5,269 1,277 5,281 682,282 15.247,283 15.247,284 15.247,285 15.247,286 15.247,287 14.432,288 23.216,289 8.907,290 15.618,291 12.265,292 12.265,293 12.265,294 12.265,295 12.265,296 10.898,297 31.489,298 4.163,299 12.846,300 4.204,301 2.486,302 1.186,303 0.58,304 0.58,305 0.58,306 3.862,310 1,311 1,312 1,313 496,314 3.742,317 86.244,318 49.443,320 69.653,321 74.936,324 104.463,325 1.527,326 17.41,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 49.5,338 233,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 3.983,349 3.663,350 6.211,351 3.64,352 2.69,353 3.318,354 0.966,355 8.828,356 2.559,357 3.683,358 2.821,359 6.169,360 3.402,361 2.461,362 2.886,363 0.693,364 8.458,365 2.297,366 3.476,367 2.742,368 5.451,369 3.306,370 2.373,371 2.603,372 0.366,373 7.187,374 2.202,375 3.307,376 2.506,377 4.864,378 2.991,379 2.035,380 2.424,382 5.476,383 1.932,384 2.636,385 1.787,386 4.696,387 2.568,388 1.585,389 1.641,391 4.38,392 1.554,393 2.603,394 1.744,395 4.214,396 2.412,397 1.458,398 1.606,400 3.061,401 1.383,402 2.516,403 1.171,404 3.725,405 2.128,406 1.133,407 1.519,409 2.999,410 1.126,411 1.796,412 1.054,413 3.566,414 1.71,415 0.751,416 0.776,418 1.829,419 0.717,420 1.75,421 0.919,422 3.088,423 1.643,424 0.674,425 0.703,427 1.174,428 0.648,429 1.231,430 0.681,431 2.946,432 0.896,433 -0.038,434 -0.044,436 -0.091,437 -0.035,438 0.77,439 0.035,440 2.61,441 0.646,442 -0.295,443 -0.301,445 -0.663,446 -0.276,447 0.762,448 -0.022,449 2.427,450 0.592,451 -0.405,452 -0.449,454 -0.765,455 -0.397,456 0.649,457 -0.275,458 2.401,459 0.307,460 -0.684,461 -0.843,463 -1.876,464 -0.672,465 0.513,466 -0.621,467 2.15,468 0.083,469 -0.908,470 -1,472 -2.452,473 -0.894,474 10.867,475 0.472,476 0.703,477 0.031,478 23.75,479 1.033,480 8.5,481 0.37,482 15.25,483 0.663,484 23.312,485 1.014,486 26.933,487 0.539,488 16.526,489 0.719,490 4.252,491 0.185,492 6.717,493 0.292,494 0.215,495 0.046,496 0.304,501 0.823,502 1.646,503 0.936,504 1.352,505 0.63,506 1.181,507 0.734,508 0.925,509 0.864,510 0.848,511 0.395,512 0.852,513 0.948,514 1.317,515 1.009,516 1.191,517 0.694,518 1.119,519 1.134,520 0.961,521 1.068,522 0.966,523 0.865,524 0.989,525 1.084,526 1.188,527 1.152,528 1.265,529 1.283,530 1.23,531 1.314,532 0.722,533 0.815,534 0.739,535 1.245,536 0.73,537 1.882,538 1.04,539 1.145,540 1.014,541 2.065,542 1.012,543 1.92,544 0.959,545 1.311,546 0.957,547 2.721,548 1.047,549 5.5,550 0.102,551 3.556,552 3.271,553 1.326,554 0.701,555 0.471,556 0.313,557 0.225,558 0.135,559 5226,560 10491,561 2.006,562 54,563 8,564 13,565 1,567 1,569 4,572 1.656,573 1.828,574 3.225,575 -0.326,577 1,582 71.997,583 1.44,584 3.158,585 4.458,586 5.063,587 5.063,588 5.063,589 2.736,590 4.35,591 4.485,592 3.399,593 859.889,594 7.724,595 9562.51,597 1,599 1,600 282.193,601 1.72,602 4.418,603 0.22,604 0.01,605 0.096,606 0.084,607 0.039,608 0.028,609 0.022,610 0.016,611 0.013,612 0.01,613 0.54,614 0.5,615 1,616 1.855,617 107.031,618 0.005,619 -0.297,620 0.075,621 -0.124,622 -0.031,623 -0.032,624 0.272,625 0.272,626 0.159,627 0.202,628 0.247,629 0.175,630 -0.05,631 -0.194,632 -0.022,633 -0.107,634 -0.001,635 -0.069,636 -0.132,637 0.069,638 -0.075,639 0.005,640 -0.005,641 -0.016,642 -0.027,643 -0.208,644 -0.17,645 -0.256,646 -0.103,647 -0.235,648 0.007,649 0.077,650 0.183,651 0.16,652 -0.026,653 0.188,654 -0.081,655 -0.085,656 -0.066,657 -0.045,658 -0.127,659 -0.064,660 -0.181,661 0.083,662 -0.222,663 -0.011,664 -0.243,665 -0.114,666 2.032,667 4.859,668 0.522,669 19.955,670 0.991,671 1.138,672 2.599,673 6.755,674 0.621,675 3.258,676 3.638,677 3.97,678 4.317,679 4.511,680 4.615,681 4.796,682 4.86,683 4.812,684 4.796,685 5.705,686 0.576,687 317.48,688 3.258,689 4.828,690 5.714,691 6.645,692 7.564,693 8.511,694 9.447,695 10.403,696 11.35,697 12.31,698 6,701 1,704 1,705 1,715 3,720 3,722 6,736 1,737 1,741 50,743 7,744 1,745 25,747 52,748 18,749 6,750 3,751 3,756 3,757 6,763 2,764 1,766 1,767 1,770 3,772 7,773 11,777 1,782 1,786 1,789 1,790 1,793 27,794 5,795 1,796 5,802 3,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 4,868 23,876 5,877 1,878 1,880 1,881 2,882 1,893 4,896 1,898 1,901 12.583,902 10.067,903 5.069,904 3.274,907 1.301,908 1.182,909 0.928,910 4.565,911 8.448,912 3.401,913 3.922,914 4.422,915 4.965,916 5.439,917 5.698,918 6.06,919 6.304,920 6.352,921 6.357,922 0.857,923 39,924 8.555,926 3.596,927 0.026,929 7.576,931 16.85,933 14.175,936 2.076,937 47.75,938 0.001,940 1,941 306.049,942 92.635,943 24.259,945 36.145,948 92.635,949 342.193,950 24.259,951 34.443,952 29.826,953 28.429,954 25.145,955 28.434,956 18.534,957 294.278,959 306.049,960 116.895,961 36.145,964 258.964,965 83.229,968 50.6,969 66.294,972 306.049,973 60.404,974 92.635,977 306.049,978 29.763,979 69.121,980 18.011,981 36.145,982 306.049,983 60.404,984 92.635,986 0.587,987 0.352,988 0.196,989 0.103,990 19,991 9,992 0.096,993 5,994 2,995 1.333,996 3.415,997 187.912,998 0.333,999 12,1000 104.042,1005 16.593,1006 6.327,1007 2.829,1009 60.404,1010 6.005,1015 3.151,1017 18.011,1018 459.088,1019 29,1024 11.859,1028 -0.366,1031 49.563,1032 56.896,1034 0.255,1035 0.559,1036 0.79,1037 0.897,1038 0.897,1039 0.897,1040 4.705,1041 1.133,1042 5.765,1043 3.061,1044 4.317,1045 4.605,1046 2.466,1047 6.725,1048 4.231,1049 5.909,1050 0.751,1051 7.425,1052 2.999,1053 4.205,1054 4.559,1055 1.905,1056 8.162,1057 4.094,1058 7.249,1059 0.674,1060 9.209,1061 1.829,1062 6.084,1063 6.682,1064 3.531,1065 11.343,1066 5.932,1067 8.631,1068 -0.038,1069 11.073,1070 1.174,1071 6.825,1072 7.43,1073 3.612,1074 13.666,1075 6.668,1076 10.055,1077 -0.295,1078 12.992,1079 -0.091,1080 8.273,1081 9.127,1082 4.913,1083 16.499,1084 8.087,1085 11.508,1086 -0.405,1087 14.95,1088 -0.663,1089 9.373,1090 10.226,1091 5.293,1092 19.111,1093 9.184,1094 12.986,1095 -0.684,1096 16.938,1097 -0.765,1098 10.705,1099 11.771,1100 6.388,1101 21.865,1102 10.497,1103 3.737,1104 -0.908,1105 18.947,1106 -1.876,1107 11.943,1108 13.037,1109 6.931,1110 24.56,1111 11.724,1112 2.69,1113 15.306,1114 20.974,1115 -2.452,1116 13.253,1117 14.521,1118 7.902,1119 27.294,1120 13.017,1121 2.461,1122 8.828,1123 23.013,1124 4.206,1125 14.541,1126 15.869,1127 8.539,1128 30.013,1129 14.289,1130 2.373,1131 8.458,1132 25.062,1133 3.318,1134 15.851,1135 17.326,1136 9.436,1137 32.743,1138 15.58,1139 2.035,1140 7.187,1141 27.119,1142 2.886,1143 17.157,1144 18.716,1145 10.13,1146 35.468,1147 16.868,1148 1.585,1149 5.476,1150 29.181,1151 2.603,1152 18.471,1153 20.162,1154 10.981,1155 38.197,1156 18.161,1157 1.458,1158 4.38,1159 31.247,1160 2.424,1161 19.783,1162 21.573,1163 11.71,1164 40.924,1165 19.454,1166 5263,1167 7568,1168 16.008,1169 31.063,1170 38.108,1171 39.082,1172 40.776,1173 37.827,1174 37.791,1175 43.364,1176 8.422,1177 117.396,1178 36.15,1179 5.797,1180 5.973,1181 7.916,1182 5.794,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 13.283,1189 1.524,1190 1.563,1191 1.631,1192 1.513,1193 1.512,1194 1.735,1195 0.337,1196 4.696,1197 1.446,1198 4.09,1199 4.129,1200 4.037,1201 3.994,1202 7.435,1203 4,1204 3.738,1205 3.796,1206 3.644,1207 3.569,1208 4.834,1209 3.575,1210 3.674,1211 3.73,1212 3.535,1213 3.538,1214 4.451,1215 3.524,1216 3.415,1217 3.472,1218 3.299,1219 3.137,1220 4.243,1221 3.171,1222 3.282,1223 3.379,1224 3.104,1225 3.053,1226 4.109,1227 3.05,1228 3.239,1229 3.335,1230 3.039,1231 3.03,1232 3.924,1233 3.02,1234 3.02,1235 3.093,1236 2.806,1237 2.767,1238 3.887,1239 2.769,1240 2.976,1241 3.079,1242 2.681,1243 2.754,1244 3.776,1245 2.724,1246 0.193,1247 0.159,1248 0.32,1249 0.189,1250 0.149,1251 4.832,1252 0.168,1253 3.973,1254 0.087,1255 8.006,1256 0.612,1257 4.714,1258 0.146,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.903,1265 1.884,1266 2.005,1267 1.997,1268 1.31,1269 1.997,1270 1.7,1271 1.63,1272 1.971,1273 1.897,1274 1.254,1275 1.923,1276 1.632,1277 1.576,1278 1.832,1279 1.836,1280 1.058,1281 1.837,1282 1.534,1283 1.453,1284 1.787,1285 1.754,1286 1.012,1287 1.775,1288 1.315,1289 1.251,1290 1.611,1291 1.621,1292 0.754,1293 1.613,1294 1.216,1295 1.119,1296 1.575,1297 1.481,1298 0.644,1299 1.518,1300 1.015,1301 0.903,1302 1.453,1303 1.291,1304 0.563,1305 1.354,1306 0.949,1307 0.896,1308 1.205,1309 1.265,1310 0.347,1311 1.256,1312 3.932,1314 5.293,1315 3.045,1316 6.858,1317 5.638,1318 8.53,1319 7.921,1320 10.271,1322 8.736,1328 4.897,1329 2.792,1330 5.46,1332 0.381,1333 4.741,1334 0.094,1340 28.815,1341 71.997,1342 157.886,1343 222.909,1344 253.173,1345 253.173,1346 253.173,1347 37.679,1348 7.147,1349 44.81,1350 44.81,1351 16,1352 12.796,1353 3,1354 2.322,1355 37.014,1356 78,1357 103,1358 0.243,1359 177.918,1360 312,1361 425.88,1362 10583,1364 16.613,1365 0.722,1366 0.633,1367 16.613,1368 14.556,1369 10.969,1370 0.439,1371 0.34,1372 8.377,1373 10.508,1374 8.035,1375 6.751,1376 10.969,1377 8.504,1378 10.193,1379 0.275,1380 0.189,1381 10.193,1382 6.981,1383 8.65,1384 0.166,1385 0.102,1386 8.65,1387 5.312,1388 7.665,1389 0.104,1390 0.056,1391 7.665,1392 4.129,1393 5.825,1394 0.065,1395 0.03,1396 5.825,1397 2.696,1398 0.377,1399 68.946,1400 0.25,1401 22.428,1402 0.677,1403 124,1404 311.094,1405 137.025,1406 296.498,1407 410.75,1408 278,1409 151,1410 310.529,1411 164.309,1412 314.14,1413 466.41,1414 293,1415 6.818}
{0 CHEMBL609672,1 1.462,2 8.636,3 3.077,4 9.466,5 87.563,6 6.456,7 0.25,8 3.931,9 4.069,10 3.383,11 3.392,12 4.901,13 3.358,14 4.538,15 4.754,16 3.817,17 3.838,18 5.485,19 3.787,20 4.793,21 4.999,22 3.884,23 4.061,24 5.67,25 3.971,26 5.004,27 5.276,28 3.816,29 4.095,30 5.862,31 3.965,32 4.884,33 5.123,34 3.545,35 3.937,36 5.829,37 3.78,38 4.754,39 5.069,40 3.321,41 3.688,42 5.488,43 3.509,44 4.345,45 4.58,46 3.246,47 3.442,48 5.311,49 3.325,50 4.324,51 4.583,52 3.087,53 3.312,54 5.332,55 3.198,56 0.034,57 0.687,58 11.527,59 4.233,60 8.575,61 6.3,62 0.413,63 1.124,64 22.014,65 6.946,66 33.823,67 10.74,68 0.222,69 1.412,70 27.96,71 9.437,72 27.173,73 14.303,74 0.358,75 1.509,76 34.854,77 10.971,78 44.515,79 16.966,80 0.431,81 1.26,82 31.245,83 10.219,84 56.466,85 14.938,86 0.364,87 1.002,88 27.151,89 8.686,90 36.864,91 13.184,92 0.239,93 0.768,94 18.09,95 5.921,96 25.65,97 8.73,98 0.362,99 0.707,100 18.187,101 4.89,102 38.924,103 7.579,104 41,105 37,106 0.255,107 0.567,108 0.766,109 0.837,110 0.837,111 0.837,112 3.148,113 0.986,114 -3.59,115 -3.56,116 -3.4,121 36.2,122 3,123 1,125 1,126 2,127 1,129 1,130 1,144 3,145 1,146 2,161 1,176 5,179 2,180 7,183 2,185 2,187 7,192 8,200 5,206 9,211 2,214 3,218 1,219 5,224 2,227 2,231 1,232 1,237 1,239 4,243 1,244 2,247 1,249 2,251 4,255 1,259 1,264 2,269 2,277 4,281 580,282 14.118,283 14.118,284 14.118,285 14.118,286 14.118,287 13.302,288 24.797,289 7.924,290 14.498,291 11.8,292 11.8,293 11.8,294 11.8,295 11.8,296 10.443,297 36.489,298 3.727,299 12.397,300 4.092,301 2.309,302 1.166,303 0.761,304 0.761,305 0.761,306 3.815,310 1,311 1,312 1,313 402,314 3.742,317 79.329,318 45.701,320 64.103,321 69.158,324 96.388,325 1.339,326 16.824,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 47.5,338 190,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 3.987,349 3.673,350 6.211,351 3.649,352 2.701,353 3.32,354 0.966,355 8.829,356 2.563,357 3.711,358 2.823,359 6.169,360 3.442,361 2.493,362 2.905,363 0.693,364 8.459,365 2.348,366 3.494,367 2.743,368 5.479,369 3.341,370 2.405,371 2.636,372 0.366,373 7.275,374 2.243,375 3.339,376 2.515,377 5.017,378 3.109,379 2.169,380 2.436,382 5.977,383 2.031,384 2.93,385 2.232,386 4.748,387 2.71,388 1.732,389 1.93,391 4.494,392 1.676,393 2.614,394 1.746,395 4.239,396 2.407,397 1.455,398 1.628,400 3.995,401 1.378,402 2.517,403 1.171,404 4.191,405 2.127,406 1.133,407 1.52,409 3.06,410 1.126,411 1.784,412 0.932,413 3.721,414 1.694,415 0.729,416 0.76,418 1.819,419 0.701,420 1.235,421 0.73,422 3.088,423 0.916,429 0.825,430 0.242,431 2.854,432 0.645,433 -0.295,434 -0.301,436 -0.735,437 -0.276,438 0.762,439 -0.018,440 2.566,441 0.531,442 -0.463,443 -0.535,445 -1.132,446 -0.447,447 0.647,448 -0.267,449 2.427,450 0.306,451 -0.695,452 -0.887,454 -1.879,455 -0.695,456 0.505,457 -0.643,458 2.257,459 0.082,460 -0.909,461 -1,463 -2,464 -0.9,466 -0.796,467 2.139,469 -1,470 -1,472 -2.71,473 -0.946,474 10.367,475 0.471,476 0.847,477 0.038,478 23.25,479 1.057,480 8.5,481 0.386,482 14.75,483 0.67,484 22.218,485 1.01,486 25.633,487 0.545,488 16.336,489 0.743,490 4.244,491 0.193,492 6.081,493 0.276,494 0.273,495 0.048,496 0.367,501 0.823,502 1.653,503 0.914,504 1.344,505 0.659,506 1.164,507 0.718,508 0.909,509 0.792,510 0.787,511 0.368,512 0.779,513 1.05,514 1.334,515 1.112,516 1.23,517 0.766,518 1.181,519 1.014,520 0.942,521 0.985,522 0.968,523 0.736,524 0.959,525 1.487,526 1.163,527 1.304,528 1.252,529 1.795,530 1.272,531 0.925,532 0.721,533 0.743,534 0.747,535 0.767,536 0.734,537 1.156,538 1.219,539 1.062,540 1.229,541 1.216,542 1.163,543 1.747,544 0.859,545 1.198,546 0.857,547 2.481,548 0.945,549 6.5,550 0.073,551 3.556,552 3.521,553 1.246,554 0.757,555 0.512,556 0.328,557 0.283,558 0.149,559 4377,560 9292,561 1.98,562 53.2,563 3,564 12,565 1,567 1,569 8,572 1.646,573 1.772,574 3.048,575 -0.31,576 1,577 1,582 68.728,583 1.462,584 3.246,585 4.389,586 4.793,587 4.793,588 4.793,589 2.526,590 4.187,591 4.427,592 3.224,593 744.67,594 7.614,595 7903.18,597 1,599 1,600 261.066,601 1.77,602 4.334,603 0.271,604 0.01,605 0.096,606 0.093,607 0.037,608 0.033,609 0.026,610 0.018,611 0.019,612 0.011,613 0.614,614 0.67,615 1,616 1.525,617 99.551,618 -0.001,619 -0.312,620 0.076,621 -0.131,622 -0.063,623 -0.034,624 0.285,625 0.285,626 0.222,627 0.253,628 0.274,629 0.237,630 -0.115,631 -0.171,632 -0.125,633 -0.145,634 -0.065,635 -0.137,636 -0.077,637 0.061,638 -0.006,639 0.005,640 0.085,641 0.018,642 -0.159,643 -0.202,644 -0.295,645 -0.243,646 -0.235,647 -0.288,648 0.068,649 0.093,650 0.221,651 0.178,652 0.018,653 0.214,654 0.068,655 -0.224,656 -0.057,657 -0.212,658 -0.009,659 -0.169,660 -0.144,661 0.098,662 -0.135,663 0.04,664 -0.23,665 -0.041,666 2.063,667 4.795,668 0.545,669 16.884,670 0.993,671 1.138,672 2.361,673 5.577,674 0.623,675 3.219,676 3.638,677 3.951,678 4.317,679 4.489,680 4.605,681 4.787,682 4.852,683 4.828,684 4.796,685 5.177,686 0.581,687 303.45,688 3.219,689 4.812,690 5.7,691 6.645,692 7.563,693 8.517,694 9.451,695 10.411,696 11.355,697 12.317,698 6.4,701 1,704 1,705 1,715 3,720 3,722 6,736 1,737 1,741 47,743 7,744 1,745 24,747 49,748 17,749 6,750 3,751 3,756 3,757 6,763 3,764 1,766 1,767 1,770 2,772 7,773 10,777 1,782 1,786 1,789 1,790 1,793 25,794 5,795 1,796 5,802 3,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 5,868 22,876 2,877 1,878 1,880 2,881 2,882 1,893 4.3,896 1,898 1,901 12.417,902 9.9,903 4.653,904 2.899,907 1.308,908 1.185,909 0.921,910 3.856,911 8.38,912 3.367,913 3.922,914 4.41,915 4.972,916 5.426,917 5.694,918 6.061,919 6.307,920 6.369,921 6.37,922 0.833,923 38,924 8.17,926 3.467,927 0.026,929 7.617,931 15.974,933 13.521,936 2.117,937 46.583,938 0.001,940 1,941 282.506,942 94.286,943 24.259,945 36.145,948 94.286,949 318.651,950 24.259,951 43.268,952 22.651,953 28.429,954 25.145,955 28.434,956 18.534,957 270.735,959 282.506,960 118.545,961 36.145,964 188.338,965 130.314,968 52.251,969 66.294,972 282.506,973 60.404,974 94.286,977 282.506,978 22.588,979 77.946,980 18.011,981 36.145,982 282.506,983 60.404,984 94.286,986 0.605,987 0.351,988 0.201,989 0.098,990 20,991 10,992 0.061,993 3,994 2,995 1.333,996 3.242,997 181.008,998 0.333,999 12,1000 96.107,1005 15.629,1006 5.427,1007 2.518,1009 60.404,1010 5.968,1015 3.122,1017 18.011,1018 437.196,1019 28,1024 11.795,1028 -0.397,1031 46.68,1032 53.481,1034 0.263,1035 0.584,1036 0.79,1037 0.863,1038 0.863,1039 0.863,1040 4.696,1041 1.133,1042 5.778,1043 3.995,1044 4.317,1045 4.605,1046 2.466,1047 6.746,1048 4.228,1049 5.922,1050 0.729,1051 7.446,1052 3.06,1053 4.29,1054 4.62,1055 1.905,1056 8.182,1057 4.18,1058 7.271,1060 9.232,1061 1.819,1062 6.103,1063 6.692,1064 3.531,1065 11.354,1066 5.946,1067 8.656,1068 -0.295,1069 11.094,1071 6.868,1072 7.454,1073 3.612,1074 13.67,1075 6.709,1076 10.078,1077 -0.463,1078 13.009,1079 -0.735,1080 8.291,1081 9.135,1082 4.913,1083 16.502,1084 8.102,1085 11.529,1086 -0.695,1087 14.963,1088 -1.132,1089 9.394,1090 10.236,1091 5.293,1092 19.112,1093 9.202,1094 13.004,1095 -0.909,1096 16.947,1097 -1.879,1098 10.717,1099 11.776,1100 6.388,1101 21.865,1102 10.506,1103 3.737,1104 -1,1105 18.954,1106 -2,1107 11.953,1108 13.042,1109 6.931,1110 24.56,1111 11.732,1112 2.701,1113 15.306,1114 20.979,1115 -2.71,1116 13.26,1117 14.524,1118 7.902,1119 27.294,1120 13.021,1121 2.493,1122 8.829,1123 23.017,1124 4.206,1125 14.546,1126 15.871,1127 8.539,1128 30.013,1129 14.292,1130 2.405,1131 8.459,1132 25.065,1133 3.32,1134 15.855,1135 17.328,1136 9.436,1137 32.743,1138 15.582,1139 2.169,1140 7.275,1141 27.12,1142 2.905,1143 17.16,1144 18.718,1145 10.13,1146 35.468,1147 16.869,1148 1.732,1149 5.977,1150 29.182,1151 2.636,1152 18.472,1153 20.163,1154 10.981,1155 38.197,1156 18.162,1157 1.455,1158 4.494,1159 31.248,1160 2.436,1161 19.785,1162 21.574,1163 11.71,1164 40.924,1165 19.455,1166 4434,1167 6555,1168 15.027,1169 29.302,1170 37.554,1171 38.408,1172 40.067,1173 37.137,1174 37.105,1175 42.68,1176 8.422,1177 118.429,1178 35.444,1179 5.797,1180 5.973,1181 7.277,1182 5.792,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 14.028,1189 1.565,1190 1.6,1191 1.669,1192 1.547,1193 1.546,1194 1.778,1195 0.351,1196 4.935,1197 1.477,1198 4.09,1199 4.128,1200 4.037,1201 3.994,1202 7.435,1203 4,1204 3.733,1205 3.785,1206 3.648,1207 3.567,1208 4.834,1209 3.574,1210 3.652,1211 3.715,1212 3.526,1213 3.486,1214 4.454,1215 3.483,1216 3.331,1217 3.405,1218 3.2,1219 3.085,1220 4.297,1221 3.1,1222 3.257,1223 3.348,1224 3.071,1225 3.043,1226 4.102,1227 3.033,1228 3.176,1229 3.222,1230 3.014,1231 2.877,1232 3.901,1233 2.922,1234 2.976,1235 3.093,1236 2.682,1237 2.761,1238 3.843,1239 2.725,1240 2.874,1241 3.009,1242 2.6,1243 2.644,1244 3.512,1245 2.623,1246 0.201,1247 0.166,1248 0.334,1249 0.196,1250 0.156,1251 4.832,1252 0.175,1253 3.973,1254 0.091,1255 8.006,1256 0.638,1257 4.714,1258 0.152,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.903,1265 1.884,1266 2.005,1267 1.997,1268 1.31,1269 1.997,1270 1.654,1271 1.589,1272 1.918,1273 1.876,1274 1.095,1275 1.89,1276 1.63,1277 1.568,1278 1.832,1279 1.836,1280 1.057,1281 1.837,1282 1.533,1283 1.451,1284 1.787,1285 1.75,1286 1.012,1287 1.772,1288 1.236,1289 1.16,1290 1.58,1291 1.519,1292 0.644,1293 1.534,1294 1.04,1295 1.003,1296 1.453,1297 1.384,1298 0.563,1299 1.355,1300 1.014,1301 0.899,1302 1.417,1303 1.291,1304 0.469,1305 1.346,1306 0.934,1307 0.804,1308 1.213,1309 1.239,1310 0.347,1311 1.308,1312 3.892,1314 5.283,1315 3.045,1316 6.862,1317 5.638,1318 8.54,1319 7.921,1320 10.284,1322 10.452,1328 2.205,1329 2.751,1330 5.424,1332 0.445,1333 4.728,1334 0.09,1340 27.289,1341 68.728,1342 152.562,1343 206.272,1344 225.291,1345 225.291,1346 225.291,1347 35.265,1348 7.072,1349 44.81,1350 44.81,1351 16,1352 12.802,1353 3,1354 2.322,1355 34.507,1356 68,1357 72,1358 0.262,1359 168.326,1360 294.7,1361 402.475,1362 9339,1364 16.069,1365 0.73,1366 0.637,1367 16.069,1368 14.012,1369 10.325,1370 0.43,1371 0.329,1372 7.762,1373 9.862,1374 7.366,1375 6.199,1376 10.325,1377 7.887,1378 10.327,1379 0.279,1380 0.189,1381 10.327,1382 7,1383 8.224,1384 0.161,1385 0.096,1386 8.224,1387 4.918,1388 7.705,1389 0.104,1390 0.054,1391 7.705,1392 3.991,1393 5.513,1394 0.063,1395 0.029,1396 5.513,1397 2.561,1398 0.399,1399 65.035,1400 0.258,1401 21.255,1402 0.755,1403 122,1404 309.094,1405 135.359,1406 295.222,1407 408.77,1408 276,1409 149,1410 310.81,1411 162.309,1412 315.218,1413 466.77,1414 293,1415 4.456}
{0 CHEMBL609977,1 1.418,2 26.63,3 5.365,4 28.781,5 217.601,6 6.09,7 0.218,8 4.847,9 4.996,10 4.211,11 4.286,12 5.822,13 4.222,14 5.457,15 5.69,16 4.51,17 4.698,18 6.413,19 4.596,20 5.782,21 6.04,22 4.616,23 4.934,24 6.61,25 4.79,26 5.985,27 6.27,28 4.624,29 5.01,30 6.832,31 4.841,32 6.009,33 6.304,34 4.602,35 5.011,36 6.824,37 4.832,38 5.966,39 6.252,40 4.575,41 5.003,42 6.784,43 4.825,44 6,45 6.294,46 4.433,47 4.946,48 6.874,49 4.745,50 5.858,51 6.165,52 4.342,53 4.788,54 6.682,55 4.594,56 0.294,57 1.713,58 30.803,59 11.59,60 20.75,61 17.219,62 0.756,63 2.674,64 55.668,65 18.462,66 91.894,67 28.49,68 0.56,69 3.393,70 74.935,71 25.923,72 72.272,73 39.496,74 0.989,75 3.726,76 91.481,77 29.632,78 139.4,79 45.463,80 1.247,81 3.729,82 93.385,83 29.961,84 152.167,85 46.199,86 0.867,87 3.683,88 89.302,89 29.489,90 116.458,91 45.282,92 1.358,93 3.487,94 92.853,95 29.369,96 191.002,97 44.64,98 0.923,99 3.016,100 79.77,101 24.937,102 143.129,103 38.67,104 161,105 72,106 0.2,107 0.409,108 0.639,109 0.726,110 0.752,111 0.752,112 4.009,113 1.127,114 0.2,115 0.04,116 -0.17,121 33.9,122 2,123 14,126 4,127 8,144 8,145 2,146 2,160 2,168 4,176 19,179 4,180 10,187 16,189 6,192 18,200 9,203 4,206 18,208 2,214 10,216 6,219 12,221 4,227 13,229 4,232 8,239 20,244 14,246 4,251 22,256 8,264 16,268 1,269 16,277 14,279 2,281 9072,282 35.434,283 35.434,284 35.434,285 35.434,286 35.434,287 33.063,288 41.712,289 21.39,290 36.058,291 26.875,292 26.875,293 26.875,294 26.875,295 26.875,296 23.3,297 46.486,298 9.903,299 27.751,300 5.537,301 4.05,302 2.42,303 1.803,304 1.617,305 1.617,306 4.677,313 2920,314 7.348,318 519.354,325 4.412,326 59.28,329 0.5,330 0.5,331 0.5,332 0.7,333 1,334 0.5,335 0.5,336 0.6,337 117,338 1438,339 4.442,340 3.82,341 6.996,342 4.219,343 3.298,344 4.101,345 2.612,346 11.871,347 3.052,348 4.442,349 3.82,350 6.996,351 4.219,352 3.298,353 4.101,354 2.612,355 11.871,356 3.052,357 4.192,358 3.7,359 6.37,360 3.854,361 2.888,362 3.276,363 1.94,364 9.603,365 2.771,366 4.192,367 3.7,368 6.37,369 3.854,370 2.888,371 3.276,372 1.94,373 9.603,374 2.771,375 3.897,376 3.646,377 5.872,378 3.679,379 2.71,380 3.063,381 1.26,382 7.931,383 2.62,384 3.897,385 3.646,386 5.872,387 3.678,388 2.71,389 3.063,390 1.26,391 7.931,392 2.619,393 3.515,394 2.656,395 4.89,396 2.912,397 1.927,398 2.908,399 0.555,400 5.18,401 1.903,402 3.515,403 2.656,404 4.89,405 2.909,406 1.926,407 2.908,408 0.555,409 5.18,410 1.892,411 2.934,412 2.234,413 4.155,414 2.9,415 1.902,416 2.033,417 0.245,418 4.047,419 1.889,420 2.879,421 2.219,422 4.137,423 2.769,424 1.78,425 2.033,426 0.245,427 3.95,428 1.756,429 2.878,430 1.795,431 3.866,432 2.697,433 1.708,434 1.932,436 3.557,437 1.687,438 2.816,439 1.723,440 3.84,441 2.544,442 1.54,443 1.812,445 3.245,446 1.543,447 2.707,448 1.721,449 3.786,450 2.441,451 1.444,452 1.707,454 3.174,455 1.439,456 2.61,457 1.56,458 3.738,459 2.434,460 1.436,461 1.597,463 3.126,464 1.432,465 2.608,466 1.56,467 3.713,468 2.339,469 1.342,470 1.596,472 2.978,473 1.33,474 25.4,475 0.47,476 1.349,477 0.025,478 54,479 1,480 21,481 0.389,482 33,483 0.611,484 72.335,485 1.34,486 65.8,487 0.531,488 48.959,489 0.907,490 9.848,491 0.182,492 15.889,493 0.294,494 0.197,495 0.031,496 0.181,501 0.468,502 1.686,503 0.995,504 1.436,505 0.476,506 1.311,507 0.696,508 1.146,509 1.007,510 1.069,511 0.365,512 1.06,513 0.721,514 1.229,515 1.005,516 1.199,517 0.56,518 1.143,519 0.933,520 1.035,521 0.996,522 1.049,523 0.89,524 1.033,525 0.904,526 0.938,527 0.948,528 0.935,529 0.942,530 0.948,531 0.85,532 1.056,533 1.016,534 1.089,535 0.769,536 1.073,537 1.168,538 0.903,539 1.09,540 0.982,541 1.289,542 1.027,543 1.009,544 0.973,545 0.924,546 0.95,547 1.089,548 0.935,549 11.5,550 0.306,551 6.444,552 3.875,553 2.684,554 1.903,555 1.016,556 0.674,557 0.535,558 0.331,559 78659,560 184147,561 1.896,562 56.5,563 16,564 36,568 4,569 14,572 1.858,573 1.751,574 4.59,575 -0.774,582 175.774,583 1.418,584 2.904,585 4.534,586 5.151,587 5.337,588 5.337,589 3.93,590 4.607,591 5.733,592 4.93,593 7054.29,594 10.146,595 195868,600 862.32,601 1.58,602 5.658,603 0.209,604 0.006,605 0.09,606 0.05,607 0.036,608 0.026,609 0.015,610 0.012,611 0.01,612 0.006,613 0.459,614 0.33,615 0.63,616 0.867,617 354.064,618 0.223,619 -0.237,620 0.054,621 -0.106,622 0.037,623 -0.069,624 0.107,625 0.084,626 0.015,627 0.042,628 0.196,629 0.025,630 -0.015,631 -0.114,632 -0.031,633 -0.106,634 0.04,635 -0.073,636 -0.035,637 -0.037,638 -0.018,639 -0.047,640 -0.016,641 -0.032,642 0.006,643 0.023,644 0.024,645 0.044,646 -0.042,647 0.035,648 -0.044,649 -0.046,650 -0.05,651 -0.075,652 -0.015,653 -0.061,654 -0.081,655 0.021,656 -0.101,657 -0.022,658 -0.114,659 -0.062,660 -0.04,661 -0.073,662 0.041,664 -0.063,665 0.026,666 2.299,667 5.673,668 0.222,669 113.037,670 0.991,671 1.141,672 -1.433,673 2.055,674 0.606,675 4.025,676 4.29,677 4.431,678 4.511,679 4.605,680 4.575,681 4.477,682 4.419,683 4.382,684 4.369,685 16.195,686 0.559,687 755.18,688 4.025,689 5.541,690 6.337,691 7.175,692 7.991,693 8.835,694 9.658,695 10.507,696 11.334,697 12.187,698 4.8,705 2,709 2,712 2,715 8,720 4,722 12,735 2,741 124,743 18,744 2,745 55,747 125,748 42,749 12,750 4,751 8,756 2,757 2,763 2,770 14,772 14,773 28,777 6,779 2,782 6,786 2,793 70,794 8,796 12,802 6,803 2,807 2,808 1,809 6,829 2,844 2,859 2,864 6,868 54,876 22,881 2,883 2,893 4.8,896 2,899 4,901 30.833,902 23.467,903 12.5,904 8.642,907 1.886,908 1.243,909 0.887,910 21.761,911 9.639,912 4.22,913 4.663,914 4.994,915 5.351,916 5.708,917 5.735,918 5.82,919 5.697,920 5.623,921 5.869,922 0.941,923 77,924 20.189,926 8.155,927 0.026,929 7.796,931 39.239,933 31.23,936 2.296,937 124,941 823.977,942 200.669,943 17.589,945 151.784,948 200.669,949 975.761,950 17.589,951 62.576,952 58.578,953 75.81,954 59.699,955 11.885,957 823.977,958 101.494,959 823.977,960 218.258,961 151.784,964 659.182,965 215.085,966 101.494,968 76.228,969 130.689,970 11.34,972 823.977,973 169.372,974 200.669,977 823.977,978 73.623,979 144.635,981 151.784,982 823.977,983 169.372,984 200.669,986 0.568,987 0.322,988 0.151,989 0.076,990 22,991 14,992 0.232,993 29,995 1,996 6.256,997 487.223,999 12,1000 252.764,1005 46.932,1006 25.038,1007 17.862,1009 158.032,1010 14.001,1015 1.913,1018 1194.02,1019 67,1021 -0.598,1024 71.094,1028 0.399,1031 122.85,1032 141.533,1034 0.204,1035 0.418,1036 0.652,1037 0.741,1038 0.767,1039 0.767,1040 5.451,1041 1.926,1042 6.333,1043 5.18,1044 4.977,1045 5.352,1046 3.731,1047 7.12,1048 4.91,1049 6.621,1050 1.902,1051 7.897,1052 5.18,1053 4.691,1054 5.231,1055 3.462,1056 8.36,1057 4.514,1058 7.918,1059 1.78,1060 9.582,1061 4.047,1062 6.608,1063 7.387,1064 5.13,1065 11.3,1066 6.433,1067 9.253,1068 1.708,1069 11.342,1070 3.95,1071 7.171,1072 8.083,1073 5.438,1074 13.355,1075 6.868,1076 10.623,1077 1.54,1078 13.152,1079 3.557,1080 8.585,1081 9.774,1082 6.798,1083 15.917,1084 8.269,1085 12.016,1086 1.444,1087 14.993,1088 3.245,1089 9.5,1090 10.819,1091 7.378,1092 18.233,1093 9.064,1094 13.425,1095 1.436,1096 16.855,1097 3.174,1098 10.743,1099 12.348,1100 8.575,1101 20.707,1102 10.271,1103 3.298,1104 1.342,1105 18.733,1106 3.126,1107 11.803,1108 13.56,1109 9.312,1110 23.112,1111 11.226,1112 3.298,1113 11.871,1114 20.62,1115 2.978,1116 12.99,1117 15.023,1118 10.412,1119 25.569,1120 12.357,1121 2.888,1122 11.871,1123 22.516,1124 4.101,1125 14.112,1126 16.323,1127 11.24,1128 28.009,1129 13.384,1130 2.888,1131 9.603,1132 24.419,1133 4.101,1134 15.283,1135 17.758,1136 12.284,1137 30.467,1138 14.486,1139 2.71,1140 9.603,1141 26.326,1142 3.276,1143 16.432,1144 19.106,1145 13.167,1146 32.922,1147 15.547,1148 2.71,1149 7.931,1150 28.238,1151 3.276,1152 17.602,1153 20.528,1154 14.176,1155 35.385,1156 16.641,1157 1.927,1158 7.931,1159 30.153,1160 3.063,1161 18.766,1162 21.903,1163 15.091,1164 37.847,1165 17.719,1166 78232,1167 120178,1168 34.553,1169 75.126,1170 78.329,1171 81.57,1172 83.629,1173 78.215,1174 78.028,1175 93.591,1176 26.453,1177 212.512,1178 75.825,1179 5.435,1180 5.82,1181 6.886,1182 5.244,1183 5.298,1184 7.101,1185 4.612,1186 18.731,1187 5.052,1188 39.138,1189 1.424,1190 1.483,1191 1.521,1192 1.422,1193 1.419,1194 1.702,1195 0.481,1196 3.864,1197 1.379,1198 4.072,1199 4.119,1200 4.01,1201 3.933,1202 7.818,1203 3.94,1204 4.011,1205 4.05,1206 3.964,1207 3.883,1208 7.812,1209 3.891,1210 3.87,1211 3.923,1212 3.761,1213 3.719,1214 7.429,1215 3.714,1216 3.832,1217 3.894,1218 3.72,1219 3.66,1220 7.425,1221 3.66,1222 3.803,1223 3.871,1224 3.679,1225 3.638,1226 6.999,1227 3.63,1228 3.755,1229 3.818,1230 3.651,1231 3.549,1232 6.999,1233 3.56,1234 3.681,1235 3.743,1236 3.536,1237 3.504,1238 4.72,1239 3.507,1240 3.582,1241 3.658,1242 3.438,1243 3.425,1244 4.69,1245 3.41,1246 0.081,1247 0.069,1248 0.127,1249 0.077,1250 0.06,1251 4.442,1252 0.075,1253 3.82,1254 0.047,1255 6.996,1256 0.216,1257 4.219,1258 0.055,1259 3.298,1260 4.101,1261 2.612,1262 11.871,1263 3.052,1264 1.962,1265 1.928,1266 2.101,1267 2.136,1268 1.436,1269 2.122,1270 1.962,1271 1.928,1272 2.101,1273 2.136,1274 1.435,1275 2.121,1276 1.821,1277 1.762,1278 2.053,1279 2.009,1280 1.409,1281 2.016,1282 1.802,1283 1.742,1284 1.999,1285 2.004,1286 1.271,1287 1.993,1288 1.786,1289 1.722,1290 1.992,1291 1.981,1292 1.261,1293 1.982,1294 1.705,1295 1.638,1296 1.927,1297 1.933,1298 1.217,1299 1.93,1300 1.661,1301 1.596,1302 1.9,1303 1.866,1304 1.08,1305 1.883,1306 1.595,1307 1.522,1308 1.87,1309 1.791,1310 1.077,1311 1.823,1312 4.71,1314 5.989,1316 7.446,1318 8.985,1320 10.57,1322 12.344,1328 19.644,1333 3.725,1335 1.478,1340 69.275,1341 175.774,1342 360.141,1343 562.242,1344 638.771,1345 661.791,1346 661.791,1347 314.281,1348 7.754,1349 132.26,1350 132.26,1351 12,1352 12.749,1353 4.248,1354 3.7,1355 186.337,1356 547,1357 370,1358 0.156,1359 437.259,1360 783.62,1361 1058.67,1362 37809,1364 39.987,1365 0.74,1366 0.637,1367 39.987,1368 34.413,1369 25.737,1370 0.468,1371 0.376,1372 20.379,1373 24.607,1374 19.752,1375 16.684,1376 25.737,1377 20.664,1378 22.448,1379 0.312,1380 0.227,1381 22.448,1382 16.327,1383 17.257,1384 0.208,1385 0.142,1386 17.257,1387 11.749,1388 12.015,1389 0.133,1390 0.082,1391 12.015,1392 7.422,1393 8.761,1394 0.088,1395 0.051,1396 8.761,1397 5.049,1398 0.27,1399 162.253,1400 0.17,1401 48.446,1402 0.37,1403 254,1404 699.659,1405 279.83,1406 666.483,1407 862.3,1408 610,1409 282,1410 610.876,1411 309.948,1412 608.599,1413 859.46,1414 564,1415 7.905}
{0 CHEMBL610219,1 1.305,2 13.759,3 5.448,4 29.675,5 119.491,6 7.102,7 0.563,8 4.061,9 4.17,10 3.6,11 3.683,12 5.129,13 3.638,14 4.585,15 4.753,16 3.924,17 4.069,18 5.577,19 4.006,20 4.79,21 4.962,22 3.965,23 4.203,24 5.79,25 4.1,26 4.95,27 5.201,28 3.843,29 4.162,30 5.851,31 4.025,32 4.815,33 5.04,34 3.783,35 4.094,36 5.754,37 3.966,38 4.822,39 5.072,40 3.702,41 4.067,42 5.753,43 3.914,44 4.696,45 4.954,46 3.577,47 3.94,48 5.576,49 3.792,50 4.475,51 4.687,52 3.459,53 3.791,54 5.426,55 3.658,56 0.036,57 0.671,58 11.137,59 5.234,60 8.31,61 6.881,62 0.166,63 1.144,64 20.56,65 8.515,66 17.496,67 11.295,68 0.121,69 1.368,70 25.123,71 11.173,72 23.933,73 14.914,74 0.256,75 1.602,76 32.34,77 12.927,78 44.2,79 17.77,80 0.205,81 1.396,82 27.478,83 11.32,84 35.131,85 15.364,86 0.276,87 1.386,88 28.173,89 11.941,90 45.22,91 16.55,92 0.169,93 1.223,94 24.971,95 10.515,96 31.31,97 14.557,98 0.12,99 0.982,100 19.14,101 8.253,102 27.424,103 11.16,104 11,105 44,106 0.214,107 0.511,108 0.69,109 0.796,110 0.831,111 0.837,112 3.407,113 0.924,114 -5.79,115 -5.65,116 -5.27,121 48.1,123 1,126 2,127 2,137 1,138 1,144 12,145 5,146 1,159 1,176 20,180 6,187 24,192 10,200 18,206 9,214 12,219 5,227 14,231 1,232 4,239 18,244 3,251 18,256 3,264 13,268 1,269 4,277 8,281 1385,282 19.834,283 19.834,284 19.834,285 19.834,286 19.834,287 17.399,288 22.367,289 11.776,290 20.087,291 15.766,292 15.766,293 15.766,294 15.766,295 15.766,296 12.022,297 31.568,298 5.593,299 16.054,300 4.45,301 2.646,302 1.556,303 0.908,304 0.695,305 0.658,306 4.106,311 1,312 1,313 870,314 3.317,317 69.791,318 298.635,321 133.896,325 2.214,326 17.688,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 60.5,338 399,339 4.527,340 3.703,341 6.694,342 4.199,343 3.187,344 4.132,345 0.995,346 10.794,347 3.223,348 4.088,349 3.042,350 5.692,351 3.712,352 2.732,353 3.694,354 0.86,355 7.846,356 2.686,357 3.931,358 2.9,359 5.579,360 3.572,361 2.588,362 3.455,363 0.68,364 7.577,365 2.548,366 3.844,367 2.721,368 5.406,369 3.434,370 2.457,371 3.282,372 0.359,373 7.097,374 2.399,375 3.572,376 2.534,377 5.248,378 3.236,379 2.26,380 2.873,382 6.629,383 2.201,384 3.264,385 2.423,386 5.058,387 2.902,388 1.942,389 2.457,391 5.774,392 1.855,393 3.104,394 2.137,395 4.746,396 2.773,397 1.785,398 2.241,400 4.997,401 1.753,402 3.016,403 1.919,404 4.606,405 2.672,406 1.666,407 2.155,409 4.846,410 1.671,411 2.774,412 1.491,413 3.588,414 2.377,415 1.386,416 1.853,418 2.993,419 1.37,420 2.5,421 1.383,422 3.564,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1.065,431 3.414,432 2,433 1,434 1.5,436 2.196,437 1,438 2.476,439 1,440 3.247,441 1.925,442 0.908,443 1.316,445 2.136,446 0.916,447 1.653,448 1,449 3.047,450 1.33,451 0.441,452 0.506,454 0.722,455 0.385,456 1.494,457 0.51,458 2.827,459 1.248,460 0.263,461 0.309,463 0.637,464 0.259,465 1.236,466 0.334,467 2.812,468 0.907,469 -0.082,470 -0.101,472 -0.22,473 -0.08,474 14.067,475 0.485,476 0.639,477 0.022,478 39,479 1.345,480 21.5,481 0.741,482 17.5,483 0.603,484 21.857,485 0.754,486 29.733,487 0.551,488 28.922,489 0.997,490 8.071,491 0.278,492 6.047,493 0.209,494 0.095,496 0.313,501 0.708,502 1.124,503 0.815,504 1.013,505 0.592,506 0.937,507 1.184,508 0.839,509 0.938,510 0.816,511 0.7,512 0.835,513 0.882,514 1.294,515 1.109,516 1.261,517 0.868,518 1.217,519 1.032,520 0.977,521 0.97,522 0.945,523 1.189,524 0.948,525 1.051,526 1.037,527 1.06,528 1.045,529 1.071,530 1.049,531 0.585,532 0.961,533 0.933,534 0.998,535 0.853,536 1,537 0.74,538 0.871,539 0.877,540 0.897,541 0.897,542 0.901,543 0.922,544 1.166,545 1.106,546 1.166,547 1.246,548 1.159,549 6,550 0.155,551 2.444,552 2.264,553 1.347,554 0.966,555 0.631,556 0.187,557 0.266,558 0.144,559 12629,560 29056,561 2.111,562 46.3,563 2,564 23,572 1.712,573 2,574 3.718,575 -0.888,582 70.456,583 1.305,584 3.109,585 4.199,586 4.847,587 5.06,588 5.097,589 3.25,590 4.418,591 4.828,592 3.9,593 1583.43,594 8.37,595 22665,600 310.764,601 1.314,602 4.8,603 0.188,604 0.008,605 0.056,606 0.053,607 0.036,608 0.028,609 0.02,610 0.006,611 0.011,612 0.007,613 0.411,614 0.5,615 0.88,616 0.674,617 151.06,618 0.024,619 -0.079,620 0.06,621 -0.021,622 -0.024,623 0.015,624 -0.135,625 0.227,626 0.006,627 0.149,628 -0.025,629 0.105,630 -0.024,631 -0.299,632 -0.182,633 -0.275,634 -0.003,635 -0.25,636 -0.038,637 0.014,638 0.029,639 0.026,640 -0.034,641 0.034,642 -0.068,643 -0.043,644 -0.082,645 -0.069,646 -0.048,647 -0.074,648 0.175,649 -0.006,650 0.042,651 -0.003,652 0.132,653 0.006,654 0.011,655 0.085,656 0.104,657 0.098,658 0.03,659 0.108,660 -0.051,661 -0.195,662 -0.15,663 -0.177,664 -0.156,665 -0.176,666 1.547,667 5.671,668 0.724,669 32.854,670 0.988,671 1.109,672 4.56,673 20.797,674 0.686,675 3.497,676 3.807,677 4.06,678 4.317,679 4.522,680 4.554,681 4.7,682 4.779,683 4.787,684 4.883,685 7.894,686 0.644,687 383.52,688 3.497,689 5.03,690 5.872,691 6.742,692 7.599,693 8.475,694 9.341,695 10.221,696 11.094,697 11.977,698 1.9,701 1,715 12,720 6,722 18,727 1,739 1,741 54,743 20,744 3,745 32,747 57,748 26,749 18,750 6,751 12,752 3,756 4,757 5,767 1,770 1,772 21,773 5,777 2,782 1,784 1,786 2,793 25,794 3,796 3,802 1,808 0.75,809 2,828 1,829 3,832 1,849 1,850 1,855 1,859 3,864 2,868 29,876 3,878 1,881 1,893 3.7,896 1,898 1,901 14.5,902 10.367,903 6.417,904 3.115,907 3.863,908 1.501,909 0.999,910 5.708,911 11.577,912 3.784,913 4.363,914 4.922,915 5.461,916 5.992,917 6.163,918 6.537,919 6.888,920 7.191,921 7.583,922 1,923 43,924 10.724,926 4.495,927 0.026,929 7.58,931 20.872,933 17.142,936 2.08,937 60.333,941 294.278,942 178.707,943 3.124,945 36.145,948 178.707,949 330.422,950 3.124,951 19.279,952 6.746,953 123.191,954 30.278,955 38.481,957 294.278,959 294.278,960 181.831,961 36.145,964 294.278,965 36.145,968 9.87,969 162.485,970 9.476,972 294.278,973 39.269,974 178.707,977 294.278,978 36.236,979 145.595,981 36.145,982 294.278,983 39.269,984 178.707,986 0.576,987 0.334,988 0.18,989 0.099,990 21,991 9,992 0.105,993 6,994 1,995 1.095,996 4.231,997 245.523,998 0.095,999 21,1000 132.881,1005 19.322,1006 8.566,1007 4.535,1009 39.269,1010 24.631,1015 6.254,1018 512.254,1019 43,1024 12.671,1026 2.006,1028 0.955,1031 53.36,1032 59.9,1034 0.227,1035 0.54,1036 0.73,1037 0.842,1038 0.879,1039 0.886,1040 5.007,1041 1.666,1042 5.844,1043 4.997,1044 4.489,1045 5.05,1046 1.696,1047 6.621,1048 4.463,1049 6.204,1050 1.386,1051 7.378,1052 4.846,1053 4.007,1054 4.718,1055 0.325,1056 7.42,1057 3.977,1058 7.497,1059 1,1060 9.008,1061 2.993,1062 6.052,1063 7.19,1064 1.38,1065 10.512,1066 6.014,1067 8.823,1068 1,1069 10.694,1070 2.275,1071 6.382,1072 7.646,1073 0.504,1074 12.161,1075 6.354,1076 10.178,1077 0.908,1078 12.417,1079 2.196,1080 7.885,1081 9.587,1082 1.168,1083 14.773,1084 7.854,1085 11.556,1086 0.441,1087 14.168,1088 2.136,1089 8.613,1090 10.439,1091 0.585,1092 16.821,1093 8.602,1094 12.952,1095 0.263,1096 15.94,1097 0.722,1098 9.889,1099 12.128,1100 1.021,1101 19.271,1102 9.881,1103 3.187,1104 -0.082,1105 17.73,1106 0.637,1107 10.822,1108 13.204,1109 0.622,1110 21.506,1111 10.838,1112 2.732,1113 10.794,1114 19.536,1115 -0.22,1116 12.005,1117 14.758,1118 0.918,1119 23.903,1120 12.029,1121 2.588,1122 7.846,1123 21.355,1124 4.132,1125 13.043,1126 15.967,1127 0.639,1128 26.22,1129 13.089,1130 2.457,1131 7.577,1132 23.186,1133 3.694,1134 14.191,1135 17.448,1136 0.844,1137 28.602,1138 14.251,1139 2.26,1140 7.097,1141 25.027,1142 3.455,1143 15.282,1144 18.736,1145 0.646,1146 30.954,1147 15.363,1148 1.942,1149 6.629,1150 26.878,1151 3.282,1152 16.422,1153 20.179,1154 0.791,1155 33.332,1156 16.518,1157 1.785,1158 5.774,1159 28.736,1160 2.873,1161 17.541,1162 21.516,1163 0.648,1164 35.699,1165 17.656,1166 11882,1167 18154,1168 21.671,1169 37.051,1170 47.859,1171 48.791,1172 48.555,1173 47.195,1174 47.229,1175 62.542,1176 5.787,1177 133.039,1178 46.533,1179 5.39,1180 5.703,1181 6.496,1182 5.207,1183 5.187,1184 7.132,1185 1.855,1186 17.876,1187 5.223,1188 12.429,1189 1.496,1190 1.525,1191 1.517,1192 1.475,1193 1.476,1194 1.954,1195 0.181,1196 4.157,1197 1.454,1198 4.063,1199 4.082,1200 4.018,1201 4.006,1202 7.427,1203 4.006,1204 3.938,1205 3.97,1206 3.869,1207 3.869,1208 4.859,1209 3.865,1210 3.876,1211 3.903,1212 3.809,1213 3.826,1214 4.769,1215 3.818,1216 3.563,1217 3.617,1218 3.479,1219 3.432,1220 4.727,1221 3.437,1222 3.454,1223 3.502,1224 3.337,1225 3.266,1226 4.38,1227 3.273,1228 3.193,1229 3.264,1230 3.023,1231 2.973,1232 4.207,1233 2.976,1234 3.009,1235 3.075,1236 2.855,1237 2.89,1238 4.029,1239 2.874,1240 2.969,1241 3.046,1242 2.844,1243 2.808,1244 3.676,1245 2.798,1246 0.141,1247 0.116,1248 0.209,1249 0.131,1250 0.1,1251 4.527,1252 0.129,1253 3.703,1254 0.031,1255 6.694,1256 0.337,1257 4.199,1258 0.101,1259 3.187,1260 4.132,1261 0.995,1262 10.794,1263 3.223,1264 1.956,1265 1.93,1266 2.073,1267 2.047,1268 1.241,1269 2.058,1270 1.902,1271 1.874,1272 2.026,1273 1.979,1274 1.165,1275 1.996,1276 1.886,1277 1.871,1278 1.977,1279 1.97,1280 1.124,1281 1.971,1282 1.594,1283 1.562,1284 1.765,1285 1.751,1286 0.938,1287 1.759,1288 1.43,1289 1.36,1290 1.658,1291 1.624,1292 0.802,1293 1.635,1294 1.216,1295 1.159,1296 1.571,1297 1.521,1298 0.58,1299 1.536,1300 1.039,1301 0.982,1302 1.369,1303 1.224,1304 0.532,1305 1.28,1306 0.991,1307 0.908,1308 1.319,1309 1.203,1310 0.493,1311 1.246,1312 4.174,1314 5.485,1315 2.398,1316 6.984,1317 4.844,1318 8.564,1319 7.018,1320 10.188,1322 3.777,1328 2.464,1330 5.276,1333 2.299,1340 34.773,1341 70.456,1342 167.864,1343 226.725,1344 261.744,1345 273.254,1346 275.254,1347 44.155,1348 7.714,1349 29.54,1350 29.54,1351 23,1352 12.513,1353 4.392,1354 3.585,1355 45.125,1356 139,1357 130,1358 0.157,1359 213.183,1360 375.76,1361 511.927,1362 26269,1364 20.217,1365 0.697,1366 0.582,1367 20.217,1368 16.891,1369 14.119,1370 0.441,1371 0.308,1372 9.766,1373 13.791,1374 9.408,1375 7.874,1376 14.119,1377 9.858,1378 12.569,1379 0.286,1380 0.173,1381 12.569,1382 7.598,1383 10.55,1384 0.185,1385 0.093,1386 10.55,1387 5.298,1388 8.771,1389 0.119,1390 0.052,1391 8.771,1392 3.823,1393 7.024,1394 0.077,1395 0.028,1396 7.024,1397 2.567,1398 0.256,1399 87.101,1400 0.215,1401 28.268,1402 0.406,1403 152,1404 383.116,1405 158.731,1406 378.617,1407 520.53,1408 356,1409 177,1410 375.942,1411 184.481,1412 393.403,1413 567.84,1414 366,1415 4.542}
{0 CHEMBL610242,1 1.68,2 14.906,3 3.911,4 15.296,5 121.223,6 8.283,7 0.486,8 4.124,9 4.21,10 3.815,11 3.671,12 5.3,13 3.652,14 4.662,15 4.797,16 4.188,17 4.084,18 5.849,19 4.039,20 4.84,21 4.984,22 4.232,23 4.197,24 6.016,25 4.117,26 4.94,27 5.126,28 4.128,29 4.187,30 6.022,31 4.088,32 4.922,33 5.14,34 4.032,35 4.113,36 5.917,37 4.003,38 4.83,39 5.022,40 3.951,41 4.044,42 5.924,43 3.927,44 4.758,45 4.979,46 3.847,47 3.95,48 5.831,49 3.813,50 4.638,51 4.86,52 3.72,53 3.787,54 5.731,55 3.702,56 0.18,57 0.76,58 10.079,59 5.475,60 9.912,61 6.144,62 0.535,63 1.237,64 22.752,65 9.568,66 58.801,67 10.517,68 0.692,69 1.463,70 29.184,71 11.92,72 60.507,73 13.432,74 0.626,75 1.551,76 34.18,77 13.074,78 65.3,79 15.338,80 0.656,81 1.497,82 35.307,83 12.793,84 60.415,85 15.593,86 0.694,87 1.373,88 31.758,89 11.679,90 71.807,91 13.504,92 0.661,93 1.289,94 32.685,95 11.495,96 65.431,97 14.128,98 0.507,99 1.111,100 26.798,101 9.108,102 55.821,103 11.39,104 35,105 49,106 0.275,107 0.607,108 0.771,109 0.833,110 0.839,111 0.845,112 3.501,113 0.95,114 -4.09,115 -4.03,116 -3.82,121 41.8,123 3,126 2,127 1,129 1,144 5,145 3,146 3,147 2,153 1,155 1,158 1,168 2,176 7,179 2,180 6,187 9,189 3,191 3,192 9,200 7,203 2,206 7,208 1,214 5,216 1,219 6,221 1,227 8,229 1,232 2,234 2,239 9,243 2,244 5,246 1,251 6,256 8,264 5,266 2,269 7,279 1,281 1820,282 21.651,283 21.651,284 21.651,285 21.651,286 21.651,287 19.175,288 29.593,289 12.539,290 22.292,291 17.142,292 17.142,293 17.142,294 17.142,295 17.142,296 13.196,297 36.078,298 5.81,299 17.989,300 4.102,301 2.068,302 1.066,303 0.682,304 0.646,305 0.609,306 4.195,311 1,312 1,313 1027,314 3.937,317 187.359,318 218.944,321 154.155,325 2.418,326 36.786,329 1,330 0.83,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.85,337 71,338 477,339 4.433,340 4.688,341 6.437,342 4.067,343 3.12,344 4.091,345 3.389,346 10.099,347 2.95,348 4.313,349 3.783,350 6.068,351 3.852,352 2.876,353 4.021,354 2.612,355 8.762,356 2.806,357 4.056,358 3.68,359 6.008,360 3.717,361 2.752,362 3.644,363 1.975,364 8.625,365 2.669,366 3.97,367 3.174,368 5.709,369 3.597,370 2.639,371 3.253,372 0.86,373 7.575,374 2.531,375 3.715,376 2.939,377 5.56,378 3.331,379 2.365,380 3.137,381 0.86,382 7.423,383 2.266,384 3.634,385 2.778,386 5.282,387 3.24,388 2.257,389 2.915,390 0.522,391 6.735,392 2.2,393 3.388,394 2.666,395 4.905,396 2.916,397 1.956,398 2.685,400 5.62,401 1.868,402 3.093,403 2.38,404 4.717,405 2.698,406 1.771,407 2.285,409 5.118,410 1.628,411 2.71,412 2.263,413 4.113,414 2.248,415 1.284,416 1.716,418 3.484,419 1.217,420 2.5,421 2.096,422 3.943,423 2.104,424 1.136,425 1.5,427 2.841,428 1.101,429 2.471,430 1.679,431 3.674,432 1.984,433 1.108,434 1.427,436 2.677,437 0.983,438 2.223,439 1.106,440 3.414,441 1.983,442 1,443 1.204,445 2.275,446 0.945,447 2.177,448 1.054,449 3.253,450 1.661,451 0.661,452 1.001,454 1.61,455 0.661,456 1.83,457 1,458 3.094,459 1.544,460 0.531,461 0.638,463 1.232,464 0.53,465 1.473,466 1,467 2.887,468 1.208,469 0.357,470 0.388,472 0.486,473 0.302,474 15.133,475 0.473,476 0.797,477 0.025,478 41.75,479 1.305,480 21,481 0.656,482 20.75,483 0.648,484 26.987,485 0.843,486 34.967,487 0.636,488 31.927,489 0.998,490 8.23,491 0.257,492 7.231,493 0.226,494 0.132,496 0.35,501 0.612,502 1.183,503 0.686,504 1.016,505 0.499,506 0.943,507 0.915,508 0.896,509 0.91,510 0.87,511 0.521,512 0.827,513 0.718,514 1.185,515 1.13,516 1.238,517 0.728,518 1.172,519 0.875,520 1.109,521 1.096,522 1.177,523 0.94,524 1.152,525 0.832,526 0.908,527 0.952,528 0.988,529 0.649,530 0.988,531 1.001,532 1.027,533 1.207,534 1.1,535 1.126,536 1.132,537 0.555,538 1.027,539 1.134,540 1.162,541 0.612,542 1.059,543 0.918,544 0.945,545 0.91,546 0.945,547 0.975,548 0.915,549 7.5,550 0.2,551 3.556,552 2.014,553 2.002,554 0.98,555 0.754,556 0.458,557 0.236,558 0.212,559 16599,560 53727,561 2.063,562 41.8,563 2,564 14,565 1,566 2,568 2,569 2,572 1.737,573 1.92,574 3.847,575 -0.712,577 1,582 92.381,583 1.68,584 3.714,585 4.715,586 5.099,587 5.136,588 5.172,589 3.296,590 4.226,591 4.971,592 4.053,593 2010.44,594 8.649,595 31672.8,600 317.975,601 1.448,602 4.925,603 0.214,604 0.008,605 0.073,606 0.042,607 0.047,608 0.025,609 0.022,610 0.014,611 0.008,612 0.008,613 0.461,614 0.33,615 1,616 0.895,617 173.227,618 0.093,619 -0.057,620 0.078,621 -0.013,622 0.018,623 -0.01,624 -0.027,625 0.177,626 0.053,627 0.18,628 0.114,629 0.135,630 0.108,631 -0.136,632 -0.113,633 -0.151,634 0.04,635 -0.183,636 -0.052,637 -0.121,638 -0.1,639 -0.146,640 -0.071,641 -0.14,642 -0.032,643 0.049,644 0.047,645 0.014,646 0.007,647 0.045,648 -0.092,649 -0.043,650 -0.153,651 -0.056,652 -0.115,653 -0.124,654 0.179,655 -0.05,656 0.007,657 -0.063,658 0.156,659 0.006,660 -0.058,662 0.063,663 0.02,664 -0.003,665 0.107,666 2.553,667 5.808,668 0.625,669 40.039,670 1.019,671 1.119,672 2.857,673 8.161,674 0.68,675 3.584,676 3.912,677 4.174,678 4.407,679 4.605,680 4.691,681 4.779,682 4.898,683 4.868,684 4.868,685 8.772,686 0.655,687 455.55,688 3.584,689 5.13,690 5.979,691 6.853,692 7.72,693 8.597,694 9.47,695 10.348,696 11.225,697 12.105,698 3.6,708 1,709 1,715 8,718 1,720 7,721 1,722 17,735 1,739 2,741 55,743 20,744 1,745 35,747 58,748 23,749 15,750 4,751 2,756 4,757 5,767 2,770 4,772 16,773 7,777 3,779 1,782 3,786 1,790 1,792 1,793 23,794 6,796 9,797 1,802 2,803 1,808 0.75,809 6,822 1,828 2,829 2,832 1,841 1,859 3,860 1,862 1,864 2,868 32,876 4,878 2,879 1,880 1,893 10.9,896 1,898 3,899 2,901 16.667,902 10.617,903 7.111,904 3.158,907 3.22,908 1.405,909 0.958,910 7.061,911 11.172,912 3.861,913 4.457,914 4.972,915 5.478,916 5.938,917 6.142,918 6.344,919 6.678,920 6.862,921 7.073,922 0.9,923 48,924 11.833,926 5.056,927 0.026,929 7.938,931 22.29,933 18.244,936 2.438,937 78,940 1,941 270.735,942 172.658,943 7.569,945 107.399,947 32.22,948 140.439,949 378.134,950 7.569,951 27.436,952 9.709,953 59.121,954 55.72,955 76.216,956 11.771,957 267.642,958 50.747,959 270.735,960 148.008,961 107.399,962 32.22,964 247.193,965 80.194,966 50.747,968 32.824,969 107.615,970 7.569,971 32.22,972 270.735,973 114.968,974 172.658,977 270.735,978 73.677,979 106.551,981 107.399,982 270.735,983 114.968,984 172.658,986 0.582,987 0.345,988 0.178,989 0.097,990 23,991 11,992 0.155,993 9,994 1,995 1.1,996 4.44,997 279.117,998 0.1,999 20,1000 154,1001 1,1005 22.679,1006 9.964,1007 5.296,1009 107.399,1010 14.439,1013 4.919,1015 5.066,1016 1.907,1018 558.362,1019 46.5,1021 -0.553,1024 34.248,1028 0.228,1031 56.022,1032 61.533,1034 0.291,1035 0.642,1036 0.816,1037 0.882,1038 0.888,1039 0.895,1040 5.101,1041 1.771,1042 5.969,1043 5.62,1044 4.595,1045 5.145,1046 3.797,1047 6.765,1048 4.509,1049 6.311,1050 1.284,1051 7.523,1052 5.118,1053 4.205,1054 5.017,1055 2.848,1056 7.612,1057 4.084,1058 7.622,1059 1.136,1060 9.17,1061 3.484,1062 6.188,1063 7.319,1064 5.829,1065 10.66,1066 6.027,1067 8.966,1068 1.108,1069 10.867,1070 2.841,1071 6.594,1072 7.976,1073 5.038,1074 12.285,1075 6.387,1076 10.337,1077 1,1078 12.597,1079 2.677,1080 8.041,1081 9.759,1082 8.109,1083 14.836,1084 7.802,1085 11.726,1086 0.661,1087 14.347,1088 2.275,1089 8.803,1090 10.765,1091 7.268,1092 16.798,1093 8.509,1094 13.129,1095 0.531,1096 16.112,1097 1.61,1098 10.038,1099 12.341,1100 10.465,1101 19.172,1102 9.712,1103 3.12,1104 0.357,1105 17.888,1106 1.232,1107 10.971,1108 13.523,1109 9.593,1110 21.296,1111 10.588,1112 2.876,1113 10.099,1114 19.673,1115 0.486,1116 12.119,1117 15.005,1118 12.855,1119 23.604,1120 11.7,1121 2.752,1122 8.762,1123 21.464,1124 4.091,1125 13.137,1126 16.28,1127 12.005,1128 25.808,1129 12.66,1130 2.639,1131 8.625,1132 23.262,1133 4.021,1134 14.253,1135 17.717,1136 15.26,1137 28.096,1138 13.734,1139 2.365,1140 7.575,1141 25.065,1142 3.644,1143 15.314,1144 19.045,1145 14.474,1146 30.343,1147 14.738,1148 2.257,1149 7.423,1150 26.873,1151 3.253,1152 16.42,1153 20.46,1154 17.674,1155 32.628,1156 15.797,1157 1.956,1158 6.735,1159 28.684,1160 3.137,1161 17.504,1162 21.817,1163 16.973,1164 34.897,1165 16.824,1166 15805,1167 28637,1168 23.175,1169 37.381,1170 52.23,1171 56.321,1172 54.126,1173 52.002,1174 52.11,1175 68.348,1176 20.436,1177 150.04,1178 49.726,1179 5.371,1180 6.688,1181 5.978,1182 5.184,1183 5.12,1184 7.091,1185 6.716,1186 16.854,1187 4.95,1188 17.692,1189 1.492,1190 1.609,1191 1.546,1192 1.486,1193 1.489,1194 1.953,1195 0.584,1196 4.287,1197 1.421,1198 4.059,1199 4.087,1200 4.138,1201 3.98,1202 7.815,1203 3.957,1204 3.985,1205 3.994,1206 4,1207 3.879,1208 7.426,1209 3.888,1210 3.9,1211 3.925,1212 3.853,1213 3.728,1214 6.999,1215 3.752,1216 3.641,1217 3.668,1218 3.623,1219 3.489,1220 5.026,1221 3.494,1222 3.462,1223 3.489,1224 3.438,1225 3.216,1226 4.92,1227 3.219,1228 3.348,1229 3.389,1230 3.315,1231 3.014,1232 4.758,1233 3.086,1234 3.247,1235 3.313,1236 3.068,1237 2.958,1238 4.495,1239 2.962,1240 3.123,1241 3.189,1242 2.992,1243 2.864,1244 4.334,1245 2.882,1246 0.127,1247 0.134,1248 0.184,1249 0.116,1250 0.089,1251 4.433,1252 0.117,1253 4.688,1254 0.097,1255 6.437,1256 0.289,1257 4.067,1258 0.084,1259 3.12,1260 4.091,1261 3.389,1262 10.099,1263 2.95,1264 1.938,1265 1.898,1266 2.063,1267 2.082,1268 1.28,1269 2.079,1270 1.868,1271 1.859,1272 1.951,1273 1.965,1274 1.177,1275 1.96,1276 1.666,1277 1.635,1278 1.818,1279 1.955,1280 1.072,1281 1.841,1282 1.565,1283 1.542,1284 1.683,1285 1.812,1286 0.938,1287 1.804,1288 1.426,1289 1.411,1290 1.585,1291 1.636,1292 0.745,1293 1.645,1294 1.28,1295 1.223,1296 1.573,1297 1.527,1298 0.576,1299 1.542,1300 1.193,1301 1.131,1302 1.502,1303 1.51,1304 0.574,1305 1.53,1306 1.171,1307 1.099,1308 1.457,1309 1.392,1310 0.422,1311 1.436,1312 4.263,1314 5.587,1315 3.045,1316 7.089,1317 5.352,1318 8.67,1319 7.413,1320 10.295,1322 3.215,1328 2.306,1330 10.726,1331 1.59,1332 -0.09,1340 36.05,1341 92.381,1342 204.252,1343 259.346,1344 280.465,1345 282.465,1346 284.465,1347 67.052,1348 7.953,1349 98.37,1350 123.67,1351 22,1352 12.642,1353 4.392,1354 3.644,1355 52.428,1356 172,1357 154,1358 0.147,1359 222.707,1360 392.49,1361 535.166,1362 36091,1364 22.665,1365 0.708,1366 0.583,1367 23.018,1368 18.646,1369 15.461,1370 0.442,1371 0.317,1372 10.079,1373 14.162,1374 9.751,1375 8.058,1376 15.869,1377 11.084,1378 13.92,1379 0.284,1380 0.181,1381 14.562,1382 8.88,1383 11.797,1384 0.184,1385 0.107,1386 12.634,1387 6.86,1388 9.358,1389 0.116,1390 0.063,1391 10.231,1392 5.072,1393 7.473,1394 0.075,1395 0.036,1396 8.284,1397 3.533,1398 0.243,1399 103.076,1400 0.208,1401 30.784,1402 0.375,1403 168,1404 579.252,1405 213.395,1406 558.794,1407 741.36,1408 520,1409 197,1410 517.109,1411 241.713,1412 528.962,1413 765.26,1414 492,1415 8.349}
{0 CHEMBL610243,1 1.646,2 13.125,3 3.416,4 11.668,5 121.256,6 7.79,7 0.429,8 4.186,9 4.283,10 3.826,11 3.7,12 5.293,13 3.673,14 4.768,15 4.929,16 4.228,17 4.139,18 5.871,19 4.091,20 5.042,21 5.213,22 4.338,23 4.353,24 6.101,25 4.262,26 5.25,27 5.48,28 4.284,29 4.412,30 6.198,31 4.282,32 5.211,33 5.446,34 4.188,35 4.338,36 6.128,37 4.197,38 5.079,39 5.295,40 4.091,41 4.274,42 6.032,43 4.121,44 4.983,45 5.201,46 4.017,47 4.148,48 6.034,49 4.021,50 4.874,51 5.068,52 3.9,53 3.99,54 6.04,55 3.896,56 0.162,57 0.832,58 12.423,59 6.002,60 10.735,61 7.178,62 0.543,63 1.378,64 26.614,65 10.227,66 58.656,67 12.343,68 0.785,69 1.766,70 37.049,71 14.233,72 64.753,73 17.588,74 0.673,75 2.036,76 48.598,77 17.478,78 80.751,79 22.603,80 0.947,81 1.898,82 50.928,83 16.931,84 91.307,85 21.187,86 0.7,87 1.76,88 45.159,89 15.51,90 74.846,91 19.322,92 0.74,93 1.583,94 39.239,95 13.206,96 78.736,97 16.677,98 0.731,99 1.356,100 35.312,101 11.368,102 97.681,103 13.615,104 46,105 51,106 0.266,107 0.579,108 0.767,109 0.836,110 0.852,111 0.858,112 3.502,113 0.991,114 -0.56,115 -0.68,116 -0.82,121 39,123 3,124 1,126 3,127 3,144 5,145 1,146 2,154 3,155 1,159 1,168 2,176 6,179 2,180 6,187 7,189 2,191 3,192 10,194 1,200 6,203 3,206 7,214 5,216 1,219 6,221 2,227 8,232 2,234 2,239 9,241 2,243 2,244 4,251 4,253 1,255 1,256 11,266 2,269 9,277 2,281 1772,282 21.342,283 21.342,284 21.342,285 21.342,286 21.342,287 19.267,288 27.676,289 12.104,290 22.019,291 17.105,292 17.105,293 17.105,294 17.105,295 17.105,296 13.712,297 35.639,298 5.537,299 18.029,300 4.236,301 2.306,302 1.142,303 0.716,304 0.615,305 0.581,306 4.192,311 1,312 1,313 901,314 4,317 172.316,318 96.383,319 120.49,321 142.996,325 2.195,326 39.712,329 1,330 0.83,331 1,332 0.7,333 0.5,334 1,335 1,336 0.86,337 71,338 420,339 4.573,340 3.786,341 6.996,342 4.222,343 3.302,344 4.504,345 2.612,346 11.911,347 3.065,348 4.374,349 3.738,350 6.511,351 4.091,352 3.14,353 4.02,354 1.277,355 10.266,356 2.98,357 4.226,358 3.654,359 6.268,360 3.846,361 2.862,362 3.604,363 1.26,364 9.367,365 2.808,366 4.136,367 3.244,368 5.991,369 3.781,370 2.81,371 3.352,372 0.86,373 8.52,374 2.719,375 3.808,376 2.73,377 5.875,378 3.431,379 2.489,380 3.153,381 0.86,382 8.092,383 2.321,384 3.617,385 2.638,386 5.177,387 3.117,388 2.135,389 2.989,390 0.245,391 6.234,392 2.093,393 3.178,394 2.215,395 5.099,396 2.844,397 1.878,398 2.471,400 5.811,401 1.803,402 3.105,403 2.107,404 4.717,405 2.698,406 1.771,407 2.214,409 5.118,410 1.627,411 2.714,412 1.734,413 3.943,414 2.29,415 1.302,416 1.717,418 2.904,419 1.284,420 2.418,421 1.646,422 3.851,423 2.121,424 1.136,425 1.376,427 2.841,428 1.12,429 2.399,430 1.427,431 3.808,432 1.991,433 1.124,434 1.345,436 2.708,437 0.958,438 2.24,439 1.336,440 3.685,441 1.863,442 0.863,443 1.125,445 2.215,446 0.839,447 2.176,448 1.002,449 3.319,450 1.66,451 0.66,452 1,454 1.609,455 0.66,456 1.554,457 1,458 3.251,459 1.252,460 0.367,461 0.398,463 0.626,464 0.311,465 1.485,466 0.75,467 2.887,468 1.198,469 0.241,470 0.311,472 0.468,473 0.233,474 15.133,475 0.473,476 0.944,477 0.03,478 38.5,479 1.203,480 17.5,481 0.547,482 21,483 0.656,484 32.117,485 1.004,486 36.167,487 0.613,488 30.314,489 0.947,490 7.4,491 0.231,492 7.914,493 0.247,494 0.165,495 0.026,496 0.324,501 0.621,502 1.314,503 0.724,504 1.095,505 0.497,506 1.018,507 0.914,508 0.853,509 0.801,510 0.777,511 0.46,512 0.778,513 0.677,514 1.111,515 0.983,516 1.115,517 0.551,518 1.106,519 0.739,520 1.07,521 0.909,522 1.075,523 0.791,524 1.066,525 0.944,526 0.847,527 1.052,528 0.96,529 0.797,530 0.951,531 0.776,532 1.153,533 1.277,534 1.274,535 0.943,536 1.174,537 0.788,538 1.077,539 1.163,540 1.151,541 0.906,542 1.099,543 1.251,544 1.119,545 1.301,546 1.182,547 1.678,548 1.124,549 8.5,550 0.259,551 4.222,552 3.014,553 2.144,554 1.234,555 0.952,556 0.488,557 0.41,558 0.219,559 14546,560 44556,561 2.037,562 45.8,563 2,564 20,568 1,569 4,572 1.742,573 1.873,574 3.687,575 -0.712,577 1,582 97.142,583 1.646,584 3.576,585 4.741,586 5.166,587 5.268,588 5.302,589 3.156,590 4.438,591 4.969,592 3.86,593 1914.79,594 8.678,595 28237.2,600 347.076,601 1.646,602 4.907,603 0.243,604 0.01,605 0.083,606 0.056,607 0.044,608 0.028,609 0.024,610 0.013,611 0.012,612 0.007,613 0.519,614 0.33,615 1,616 0.929,617 169.407,618 0.098,619 -0.113,620 0.086,621 -0.035,622 0.025,623 -0.019,624 -0.02,625 0.262,626 0.123,627 0.238,628 0.158,629 0.199,630 0.125,631 -0.044,632 -0.034,633 -0.065,634 0.105,635 -0.097,636 -0.004,637 -0.102,638 0.04,639 -0.08,640 -0.001,641 -0.041,642 -0.06,643 0.102,644 0.007,645 0.072,646 -0.052,647 0.067,648 -0.016,649 -0.144,650 -0.146,651 -0.145,652 -0.094,653 -0.131,654 0.034,655 -0.06,656 -0.106,657 -0.102,658 0.016,659 -0.089,660 -0.142,661 -0.127,662 -0.226,663 -0.149,664 -0.186,665 -0.151,666 2.517,667 6.326,668 0.656,669 36.445,670 1.013,671 1.125,672 -0.674,673 0.454,674 0.659,675 3.584,676 3.951,677 4.22,678 4.466,679 4.654,680 4.836,681 4.949,682 5.037,683 5.056,684 5.136,685 7.695,686 0.629,687 459.59,688 3.584,689 5.153,690 6.014,691 6.911,692 7.788,693 8.687,694 9.57,695 10.469,696 11.356,697 12.256,698 3.4,709 1,712 1,714 2,715 5,718 1,719 1,720 5,722 15,727 1,735 1,739 2,741 59,743 18,744 1,745 35,747 62,748 23,749 12,750 4,751 2,752 1,756 4,757 5,767 3,768 1,770 3,772 13,773 10,774 1,777 3,779 1,782 3,786 1,790 1,792 1,793 27,794 6,796 9,797 1,802 2,803 1,807 1,808 0.75,809 6,828 2,829 1,830 1,832 1,859 3,862 1,864 3,868 32,876 6,878 2,880 1,883 1,888 1,893 10.2,896 1,898 3,899 2,901 17.083,902 11.617,903 7.014,904 3.624,907 2.862,908 1.359,909 0.94,910 6.771,911 10.843,912 3.839,913 4.46,914 5.019,915 5.584,916 6.046,917 6.455,918 6.769,919 7.106,920 7.091,921 7.136,922 0.889,923 54,924 11.897,926 5.14,927 0.026,929 7.891,931 22.618,933 18.908,936 2.391,937 76.5,940 1,941 317.82,942 153.508,943 5.67,945 107.399,947 31.278,948 122.231,949 425.219,950 5.67,951 35.833,952 13.921,953 47.381,954 30.278,955 49.587,956 7.553,957 349.097,958 50.747,959 317.82,960 127.901,961 107.399,962 31.278,964 270.735,965 103.736,966 50.747,968 18.941,969 103.29,970 5.67,971 31.278,972 317.82,973 113.069,974 153.508,977 317.82,978 75.965,979 83.214,981 107.399,982 317.82,983 113.069,984 153.508,986 0.592,987 0.352,988 0.181,989 0.095,990 25,991 12,992 0.113,993 7,994 1,995 1.095,996 4.225,997 294.146,998 0.095,999 21,1000 158,1001 1,1005 23.055,1006 9.397,1007 4.965,1008 1.976,1009 107.399,1010 8.849,1013 5.368,1014 1.493,1015 2.445,1018 584.397,1019 45.5,1021 -0.517,1024 35.099,1028 0.186,1031 59.789,1032 66.363,1034 0.28,1035 0.608,1036 0.806,1037 0.878,1038 0.896,1039 0.901,1040 5.11,1041 1.771,1042 6.047,1043 5.811,1044 4.635,1045 5.147,1046 3.039,1047 6.911,1048 4.54,1049 6.345,1050 1.302,1051 7.65,1052 5.118,1053 4.443,1054 5.165,1055 2.496,1056 8.074,1057 4.284,1058 7.687,1059 1.136,1060 9.354,1061 2.904,1062 6.333,1063 7.392,1064 4.305,1065 11.077,1066 6.143,1067 9.063,1068 1.124,1069 11.117,1070 2.841,1071 6.929,1072 8.204,1073 4.539,1074 13.017,1075 6.661,1076 10.466,1077 0.863,1078 12.916,1079 2.708,1080 8.33,1081 9.946,1082 5.985,1083 15.598,1084 8.031,1085 11.888,1086 0.66,1087 14.739,1088 2.215,1089 9.247,1090 11.103,1091 6.563,1092 17.835,1093 8.868,1094 13.324,1095 0.367,1096 16.58,1097 1.609,1098 10.482,1099 12.673,1100 7.803,1101 20.302,1102 10.061,1103 3.302,1104 0.241,1105 18.435,1106 0.626,1107 11.535,1108 13.994,1109 8.55,1110 22.66,1111 11.037,1112 3.14,1113 11.911,1114 20.299,1115 0.468,1116 12.714,1117 15.501,1118 9.672,1119 25.103,1120 12.164,1121 2.862,1122 10.266,1123 22.172,1124 4.504,1125 13.826,1126 16.903,1127 10.509,1128 27.514,1129 13.201,1130 2.81,1131 9.367,1132 24.052,1133 4.02,1134 14.988,1135 18.39,1136 11.564,1137 29.958,1138 14.303,1139 2.489,1140 8.52,1141 25.938,1142 3.604,1143 16.128,1144 19.834,1145 12.452,1146 32.394,1147 15.369,1148 2.135,1149 8.092,1150 27.83,1151 3.352,1152 17.288,1153 21.316,1154 13.468,1155 34.845,1156 16.463,1157 1.878,1158 6.234,1159 29.726,1160 3.153,1161 18.442,1162 22.782,1163 14.386,1164 37.296,1165 17.543,1166 13982,1167 24663,1168 22.77,1169 38.904,1170 53.128,1171 55.337,1172 55.382,1173 52.608,1174 52.634,1175 67.676,1176 14.23,1177 158.293,1178 50.057,1179 5.523,1180 5.786,1181 6.538,1182 5.344,1183 5.302,1184 7.504,1185 4.612,1186 18.914,1187 5.065,1188 18.788,1189 1.518,1190 1.581,1191 1.582,1192 1.503,1193 1.504,1194 1.934,1195 0.407,1196 4.523,1197 1.43,1198 4.109,1199 4.121,1200 4.341,1201 4.114,1202 7.815,1203 4.066,1204 4.024,1205 4.043,1206 3.992,1207 3.838,1208 7.426,1209 3.859,1210 3.881,1211 3.921,1212 3.793,1213 3.7,1214 6.999,1215 3.714,1216 3.613,1217 3.647,1218 3.618,1219 3.44,1220 5.005,1221 3.447,1222 3.461,1223 3.486,1224 3.451,1225 3.257,1226 4.964,1227 3.258,1228 3.355,1229 3.391,1230 3.301,1231 3.134,1232 4.528,1233 3.111,1234 3.289,1235 3.367,1236 3.089,1237 2.967,1238 4.496,1239 3.031,1240 3.249,1241 3.314,1242 3.075,1243 2.935,1244 4.338,1245 2.97,1246 0.131,1247 0.108,1248 0.2,1249 0.121,1250 0.094,1251 4.573,1252 0.129,1253 3.786,1254 0.075,1255 6.996,1256 0.34,1257 4.222,1258 0.088,1259 3.302,1260 4.504,1261 2.612,1262 11.911,1263 3.065,1264 1.909,1265 1.903,1266 2.019,1267 2.054,1268 1.387,1269 2.048,1270 1.819,1271 1.763,1272 1.984,1273 1.988,1274 1.356,1275 1.985,1276 1.78,1277 1.736,1278 1.949,1279 1.952,1280 1.14,1281 1.935,1282 1.555,1283 1.528,1284 1.68,1285 1.913,1286 0.872,1287 1.825,1288 1.439,1289 1.422,1290 1.588,1291 1.602,1292 0.718,1293 1.613,1294 1.384,1295 1.359,1296 1.573,1297 1.551,1298 0.651,1299 1.564,1300 1.222,1301 1.176,1302 1.557,1303 1.518,1304 0.581,1305 1.535,1306 1.185,1307 1.107,1308 1.476,1309 1.452,1310 0.573,1311 1.49,1312 4.263,1314 5.617,1315 3.045,1316 7.143,1317 5.416,1318 8.746,1319 7.516,1320 10.391,1322 5.327,1328 4.834,1330 10.764,1332 -0.03,1335 0.704,1340 37.104,1341 97.142,1342 210.994,1343 279.692,1344 304.811,1345 310.811,1346 312.811,1347 73.485,1348 7.98,1349 94.49,1350 122.73,1351 23,1352 12.78,1353 4.248,1354 3.524,1355 52.105,1356 148,1357 143,1358 0.172,1359 228.562,1360 397.77,1361 549.452,1362 34257,1364 22.88,1365 0.715,1366 0.604,1367 23.234,1368 19.328,1369 15.314,1370 0.438,1371 0.33,1372 10.597,1373 13.994,1374 10.24,1375 8.494,1376 15.722,1377 11.563,1378 14.308,1379 0.281,1380 0.194,1381 14.95,1382 9.916,1383 12.071,1384 0.18,1385 0.114,1386 12.893,1387 7.606,1388 9.739,1389 0.113,1390 0.067,1391 10.639,1392 5.767,1393 7.492,1394 0.072,1395 0.04,1396 8.347,1397 4.142,1398 0.274,1399 102.269,1400 0.21,1401 30.095,1402 0.458,1403 172,1404 561.252,1405 218.421,1406 540.563,1407 720.55,1408 502,1409 204,1410 509.08,1411 250.599,1412 521.416,1413 758.66,1414 485,1415 7.493}
{0 CHEMBL610779,1 1.305,2 13.759,3 5.448,4 29.675,5 119.491,6 7.102,7 0.563,8 4.061,9 4.17,10 3.6,11 3.683,12 5.129,13 3.638,14 4.585,15 4.753,16 3.924,17 4.069,18 5.577,19 4.006,20 4.79,21 4.962,22 3.965,23 4.203,24 5.79,25 4.1,26 4.95,27 5.201,28 3.843,29 4.162,30 5.847,31 4.025,32 4.813,33 5.04,34 3.816,35 4.093,36 5.798,37 3.968,38 4.82,39 5.064,40 3.695,41 4.063,42 5.746,43 3.916,44 4.687,45 4.931,46 3.553,47 3.939,48 5.593,49 3.791,50 4.493,51 4.726,52 3.45,53 3.799,54 5.357,55 3.654,56 0.036,57 0.671,58 11.137,59 5.234,60 8.31,61 6.881,62 0.166,63 1.144,64 20.56,65 8.515,66 17.496,67 11.295,68 0.121,69 1.368,70 25.123,71 11.173,72 23.931,73 14.914,74 0.256,75 1.602,76 32.34,77 12.927,78 42.791,79 17.77,80 0.277,81 1.396,82 27.414,83 11.348,84 42.25,85 15.577,86 0.207,87 1.376,88 28.125,89 11.794,90 41.311,91 16.091,92 0.201,93 1.205,94 24.666,95 10.287,96 36.926,97 14.015,98 0.086,99 1.011,100 19.557,101 8.601,102 20.009,103 11.948,104 11,105 44,106 0.214,107 0.511,108 0.687,109 0.794,110 0.831,111 0.837,112 3.407,113 0.924,114 -5.79,115 -5.65,116 -5.27,121 48.1,123 1,126 2,127 2,137 1,138 1,144 12,145 5,146 1,159 1,176 20,180 6,187 24,192 10,200 19,206 7,214 11,218 1,219 7,227 14,232 4,239 18,244 3,251 18,256 3,264 13,268 1,269 4,277 8,281 1381,282 19.834,283 19.834,284 19.834,285 19.834,286 19.834,287 17.399,288 22.367,289 11.779,290 20.087,291 15.766,292 15.766,293 15.766,294 15.766,295 15.766,296 12.022,297 30.261,298 5.597,299 16.054,300 4.45,301 2.646,302 1.572,303 0.924,304 0.695,305 0.658,306 4.106,311 1,312 1,313 870,314 3.317,317 69.791,318 298.635,321 133.896,325 2.214,326 17.74,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 60.5,338 399,339 4.53,340 3.705,341 6.698,342 4.201,343 3.19,344 4.136,345 0.995,346 10.815,347 3.225,348 4.087,349 3.042,350 5.684,351 3.712,352 2.732,353 3.693,354 0.86,355 7.839,356 2.686,357 3.93,358 2.865,359 5.573,360 3.572,361 2.587,362 3.455,363 0.68,364 7.555,365 2.548,366 3.828,367 2.721,368 5.39,369 3.417,370 2.441,371 3.258,372 0.359,373 7.044,374 2.385,375 3.555,376 2.593,377 5.214,378 3.221,379 2.25,380 2.852,382 6.544,383 2.18,384 3.319,385 2.433,386 5.117,387 2.947,388 1.97,389 2.547,391 5.959,392 1.92,393 3.134,394 2.129,395 4.763,396 2.829,397 1.847,398 2.261,400 5.038,401 1.798,402 2.993,403 1.892,404 4.605,405 2.612,406 1.613,407 2.119,409 4.8,410 1.608,411 2.772,412 1.49,413 3.574,414 2.376,415 1.386,416 1.849,418 2.992,419 1.369,420 2.5,421 1.321,422 3.54,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1.118,431 3.414,432 2,433 1,434 1.5,436 2.136,437 1,438 2.397,439 1,440 3.247,441 1.855,442 0.829,443 1.205,445 2.031,446 0.844,447 1.778,448 1,449 3.085,450 1.45,451 0.537,452 0.632,454 1.006,455 0.481,456 1.446,457 0.536,458 2.868,459 1.21,460 0.245,461 0.283,463 0.541,464 0.236,465 1.214,466 0.372,467 2.742,468 0.9,469 -0.077,470 -0.095,472 -0.192,473 -0.075,474 14.067,475 0.485,476 0.639,477 0.022,478 39,479 1.345,480 21.5,481 0.741,482 17.5,483 0.603,484 21.855,485 0.754,486 29.733,487 0.551,488 28.957,489 0.999,490 8.071,491 0.278,492 6.047,493 0.209,494 0.095,496 0.313,501 0.708,502 1.124,503 0.815,504 1.013,505 0.592,506 0.937,507 1.184,508 0.839,509 0.938,510 0.816,511 0.7,512 0.835,513 0.882,514 1.294,515 1.109,516 1.261,517 0.869,518 1.217,519 1.032,520 0.977,521 0.97,522 0.945,523 1.204,524 0.948,525 0.753,526 1.037,527 0.979,528 1.044,529 0.88,530 1.03,531 0.949,532 0.954,533 0.993,534 0.987,535 1.141,536 0.996,537 1.013,538 0.904,539 1.015,540 0.936,541 1.367,542 0.973,543 0.486,544 1.128,545 0.96,546 1.127,547 0.504,548 1.096,549 6,550 0.155,551 2.444,552 2.139,553 1.427,554 0.966,555 0.59,556 0.187,557 0.266,558 0.144,559 12621,560 28992,561 2.111,562 46.3,563 2,564 23,572 1.712,573 2,574 3.714,575 -0.888,582 70.456,583 1.305,584 3.109,585 4.183,586 4.831,587 5.06,588 5.097,589 3.25,590 4.487,591 4.828,592 3.899,593 1583.11,594 8.369,595 22647.3,600 310.764,601 1.314,602 4.8,603 0.188,604 0.008,605 0.056,606 0.05,607 0.039,608 0.027,609 0.018,610 0.007,611 0.011,612 0.007,613 0.408,614 0.5,615 0.88,616 0.674,617 151.041,618 0.024,619 -0.079,620 0.06,621 -0.021,622 -0.024,623 0.015,624 -0.135,625 0.227,626 0.006,627 0.149,628 -0.025,629 0.105,630 -0.024,631 -0.299,632 -0.182,633 -0.275,634 -0.003,635 -0.25,636 -0.038,637 0.014,638 0.029,639 0.026,640 -0.048,641 0.034,642 0.159,643 -0.044,644 -0.005,645 -0.066,646 0.13,647 -0.051,648 -0.04,649 0.002,650 -0.009,651 0.005,652 -0.002,653 0.001,654 -0.088,655 0.055,656 -0.03,657 0.055,658 -0.122,659 0.023,660 0.062,661 -0.161,662 -0.016,663 -0.131,665 -0.09,666 1.564,667 5.725,668 0.724,669 32.754,670 0.988,671 1.109,672 4.56,673 20.797,674 0.686,675 3.497,676 3.807,677 4.06,678 4.317,679 4.533,680 4.543,681 4.682,682 4.796,683 4.796,684 4.875,685 7.89,686 0.644,687 383.52,688 3.497,689 5.03,690 5.872,691 6.742,692 7.6,693 8.476,694 9.343,695 10.222,696 11.096,697 11.978,698 1.9,701 1,715 12,720 6,722 18,727 1,739 1,741 54,743 20,744 3,745 32,747 57,748 26,749 18,750 6,751 12,752 3,756 4,757 5,767 1,770 1,772 21,773 5,777 2,782 1,784 1,786 2,793 25,794 3,796 3,802 1,808 0.75,809 2,828 1,829 3,832 1,849 1,850 1,855 1,859 3,864 2,868 29,876 3,878 1,881 1,893 3.7,896 1,898 1,901 14.5,902 10.367,903 6.417,904 3.115,907 3.863,908 1.501,909 0.999,910 5.708,911 11.577,912 3.784,913 4.363,914 4.922,915 5.461,916 6.003,917 6.144,918 6.525,919 6.907,920 7.193,921 7.577,922 1,923 43,924 10.726,926 4.497,927 0.026,929 7.58,931 20.872,933 17.142,936 2.08,937 60.333,941 294.278,942 178.707,943 3.124,945 36.145,948 178.707,949 330.422,950 3.124,951 19.279,952 6.746,953 123.191,954 30.278,955 38.481,957 294.278,959 294.278,960 181.831,961 36.145,964 294.278,965 36.145,968 9.87,969 162.485,970 9.476,972 294.278,973 39.269,974 178.707,977 294.278,978 36.236,979 145.595,981 36.145,982 294.278,983 39.269,984 178.707,986 0.576,987 0.334,988 0.18,989 0.1,990 21,991 9,992 0.105,993 6,994 1,995 1.095,996 4.229,997 245.657,998 0.095,999 21,1000 132.881,1005 19.322,1006 8.566,1007 4.535,1009 39.269,1010 24.696,1015 6.185,1018 512.254,1019 43,1024 12.725,1026 2.006,1028 0.938,1031 53.36,1032 59.9,1034 0.227,1035 0.54,1036 0.727,1037 0.84,1038 0.879,1039 0.886,1040 5.007,1041 1.613,1042 5.844,1043 5.038,1044 4.489,1045 5.05,1046 1.696,1047 6.621,1048 4.463,1049 6.204,1050 1.386,1051 7.378,1052 4.8,1053 4.007,1054 4.718,1055 0.325,1056 7.42,1057 3.977,1058 7.497,1059 1,1060 9.008,1061 2.992,1062 6.052,1063 7.19,1064 1.38,1065 10.513,1066 6.014,1067 8.823,1068 1,1069 10.694,1070 2.275,1071 6.382,1072 7.646,1073 0.504,1074 12.163,1075 6.354,1076 10.178,1077 0.829,1078 12.417,1079 2.136,1080 7.885,1081 9.587,1082 1.168,1083 14.777,1084 7.854,1085 11.556,1086 0.537,1087 14.168,1088 2.031,1089 8.613,1090 10.439,1091 0.585,1092 16.828,1093 8.602,1094 12.952,1095 0.245,1096 15.94,1097 1.006,1098 9.889,1099 12.128,1100 1.021,1101 19.28,1102 9.881,1103 3.19,1104 -0.077,1105 17.731,1106 0.541,1107 10.823,1108 13.205,1109 0.622,1110 21.518,1111 10.839,1112 2.732,1113 10.815,1114 19.537,1115 -0.192,1116 12.006,1117 14.76,1118 0.918,1119 23.918,1120 12.03,1121 2.587,1122 7.839,1123 21.356,1124 4.136,1125 13.046,1126 15.97,1127 0.639,1128 26.238,1129 13.092,1130 2.441,1131 7.555,1132 23.188,1133 3.693,1134 14.195,1135 17.453,1136 0.844,1137 28.622,1138 14.254,1139 2.25,1140 7.044,1141 25.03,1142 3.455,1143 15.287,1144 18.743,1145 0.646,1146 30.977,1147 15.368,1148 1.97,1149 6.544,1150 26.882,1151 3.258,1152 16.428,1153 20.187,1154 0.791,1155 33.358,1156 16.524,1157 1.847,1158 5.959,1159 28.741,1160 2.852,1161 17.548,1162 21.525,1163 0.648,1164 35.727,1165 17.662,1166 11874,1167 18130,1168 21.671,1169 37.051,1170 47.912,1171 48.895,1172 48.545,1173 47.239,1174 47.252,1175 62.58,1176 5.787,1177 133.151,1178 46.559,1179 5.392,1180 5.705,1181 6.5,1182 5.209,1183 5.19,1184 7.136,1185 1.855,1186 17.864,1187 5.225,1188 12.409,1189 1.497,1190 1.528,1191 1.517,1192 1.476,1193 1.477,1194 1.956,1195 0.181,1196 4.161,1197 1.455,1198 4.063,1199 4.082,1200 4.018,1201 4.006,1202 7.427,1203 4.006,1204 3.938,1205 3.97,1206 3.87,1207 3.869,1208 4.858,1209 3.865,1210 3.876,1211 3.903,1212 3.809,1213 3.826,1214 4.769,1215 3.818,1216 3.563,1217 3.617,1218 3.478,1219 3.432,1220 4.727,1221 3.437,1222 3.454,1223 3.502,1224 3.336,1225 3.266,1226 4.39,1227 3.273,1228 3.194,1229 3.263,1230 3.022,1231 2.973,1232 4.207,1233 2.973,1234 3.023,1235 3.072,1236 2.921,1237 2.888,1238 4.016,1239 2.885,1240 2.965,1241 3.044,1242 2.788,1243 2.808,1244 3.674,1245 2.795,1246 0.142,1247 0.116,1248 0.209,1249 0.131,1250 0.1,1251 4.53,1252 0.129,1253 3.705,1254 0.031,1255 6.698,1256 0.338,1257 4.201,1258 0.101,1259 3.19,1260 4.136,1261 0.995,1262 10.815,1263 3.225,1264 1.956,1265 1.93,1266 2.073,1267 2.047,1268 1.241,1269 2.058,1270 1.902,1271 1.874,1272 2.026,1273 1.978,1274 1.165,1275 1.996,1276 1.886,1277 1.871,1278 1.977,1279 1.97,1280 1.124,1281 1.971,1282 1.594,1283 1.562,1284 1.765,1285 1.751,1286 0.938,1287 1.76,1288 1.431,1289 1.36,1290 1.658,1291 1.625,1292 0.802,1293 1.637,1294 1.215,1295 1.159,1296 1.565,1297 1.519,1298 0.58,1299 1.531,1300 1.032,1301 0.979,1302 1.368,1303 1.223,1304 0.528,1305 1.279,1306 0.985,1307 0.907,1308 1.311,1309 1.198,1310 0.492,1311 1.238,1312 4.174,1314 5.485,1315 2.398,1316 6.984,1317 4.844,1318 8.564,1319 7.018,1320 10.188,1322 3.752,1328 2.485,1330 5.248,1333 2.299,1340 34.773,1341 70.456,1342 167.864,1343 225.87,1344 260.89,1345 273.254,1346 275.254,1347 44.249,1348 7.714,1349 29.54,1350 29.54,1351 23,1352 12.514,1353 4.392,1354 3.585,1355 45.129,1356 139,1357 130,1358 0.157,1359 213.183,1360 375.76,1361 511.927,1362 26269,1364 20.217,1365 0.697,1366 0.582,1367 20.217,1368 16.891,1369 14.119,1370 0.441,1371 0.308,1372 9.766,1373 13.791,1374 9.408,1375 7.874,1376 14.119,1377 9.858,1378 12.569,1379 0.286,1380 0.173,1381 12.569,1382 7.598,1383 10.557,1384 0.185,1385 0.093,1386 10.557,1387 5.303,1388 8.719,1389 0.118,1390 0.051,1391 8.719,1392 3.806,1393 7.132,1394 0.078,1395 0.028,1396 7.132,1397 2.577,1398 0.256,1399 87.101,1400 0.215,1401 28.264,1402 0.406,1403 152,1404 383.116,1405 158.731,1406 378.617,1407 520.53,1408 356,1409 177,1410 375.942,1411 184.481,1412 393.404,1413 567.86,1414 366,1415 6.201}
{0 CHEMBL61126,1 1.31,2 5.643,3 1.338,4 1.789,5 57.703,6 6.01,7 0.429,8 3.503,9 3.647,10 2.864,11 2.976,12 4.553,13 2.913,14 4.02,15 4.25,16 3.193,17 3.345,18 4.932,19 3.269,20 4.276,21 4.472,22 3.211,23 3.578,24 5.233,25 3.435,26 4.565,27 4.884,28 3.132,29 3.611,30 5.304,31 3.41,32 4.376,33 4.641,34 2.921,35 3.505,36 5.281,37 3.292,38 4.372,39 4.708,40 2.393,41 3.2,42 5.184,43 2.921,44 3.735,45 4.098,46 1.95,47 2.565,48 4.54,49 2.295,50 3.004,51 3.276,52 0.855,53 1.794,54 4.025,55 1.539,56 0.047,57 0.427,58 7.875,59 2.94,60 8.805,61 4.343,62 0.113,63 0.663,64 13.026,65 4.373,66 11.254,67 6.752,68 0.108,69 0.839,70 16.735,71 6.421,72 19.807,73 9.393,74 0.226,75 0.942,76 21.157,77 7.668,78 25.776,79 11.567,80 0.114,81 0.808,82 17.705,83 7.043,84 26.67,85 10.157,86 0.205,87 0.653,88 17.224,89 6.037,90 39.481,91 8.814,92 0.066,93 0.342,94 8.748,95 3.215,96 19.682,97 4.772,98 0.085,99 0.147,100 4.47,101 1.319,102 16.585,103 1.876,104 29,105 20,106 0.253,107 0.583,108 0.76,109 0.808,110 0.808,111 0.808,112 2.733,113 1.04,114 -0.23,115 -0.37,116 -0.54,121 37.5,122 1,126 2,127 1,136 1,138 1,144 4,146 2,176 4,185 2,187 4,189 3,197 1,200 1,203 3,211 1,213 1,214 2,216 1,227 5,237 1,239 3,249 2,251 2,281 180,282 8.524,283 8.524,284 8.524,285 8.524,286 8.524,287 7.579,288 11.819,289 4.995,290 8.691,291 6.905,292 6.905,293 6.905,294 6.905,295 6.905,296 5.533,297 16.486,298 2.359,299 7.218,300 3.69,301 1.986,302 1.071,303 0.821,304 0.821,305 0.821,306 3.331,311 1,312 1,313 151,314 3.317,318 48.356,325 0.929,326 9.045,329 1,330 0.83,331 0.83,332 0.9,333 1,334 1,335 1,336 0.94,337 29.5,338 79,339 4.506,340 3.75,341 7.308,342 4.312,343 3.391,344 3.878,345 1.285,346 12.508,347 3.125,348 3.778,349 2.671,350 5.265,351 3.377,352 2.414,353 3.12,354 0.704,355 6.598,356 2.321,357 3.422,358 2.485,359 4.788,360 3.028,361 2.041,362 2.593,364 5.09,365 2.009,366 2.875,367 1.682,368 4.266,369 2.462,370 1.497,371 1.992,373 3.997,374 1.438,375 2.571,376 1.148,377 3.481,378 2.102,379 1.111,380 1.597,382 2.526,383 1.1,384 0.948,385 0.11,386 2.931,387 0.583,388 -0.372,389 -0.406,391 -0.882,392 -0.35,393 0.863,394 -0.057,395 2.532,396 0.518,397 -0.414,398 -0.51,400 -1.101,401 -0.382,402 0.627,403 -0.6,404 2,405 0.195,406 -0.777,407 -1,409 -2,410 -0.751,411 0.324,412 -0.636,413 2,415 -1,416 -1.007,418 -2.172,419 -0.9,421 -0.708,422 1.603,423 -0.1,424 -1,425 -1.363,427 -3,428 -1,429 -0.073,430 -1.169,431 1.302,432 -0.421,433 -1.35,434 -1.78,435 -0.266,436 -3.401,437 -1.266,438 -0.5,439 -1.252,440 1.074,441 -0.709,442 -1.653,443 -1.894,444 -0.4,445 -5.301,446 -1.565,447 -0.539,448 -1.604,449 1,450 -0.947,451 -1.887,452 -2.22,453 -0.4,454 -5.514,455 -1.778,456 -0.803,457 -2,458 0.45,459 -1,460 -2,461 -3,462 -0.923,463 -7.347,464 -2,474 6.733,475 0.481,476 0.584,477 0.042,478 15.75,479 1.125,480 7.5,481 0.536,482 8.25,483 0.589,484 10.194,485 0.728,486 16.367,487 0.511,488 10.604,489 0.757,490 3.349,491 0.239,492 3.067,493 0.219,494 0.347,495 0.059,496 0.223,501 1.095,502 1.573,503 1.072,504 1.282,505 1.146,506 1.19,507 1.113,508 0.892,509 0.898,510 0.771,511 0.473,512 0.78,513 1.02,514 1.574,515 1.368,516 1.519,517 1.033,518 1.483,519 0.599,520 0.742,521 0.797,522 0.77,523 0.512,524 0.792,525 0.752,526 1.243,527 1.182,528 1.342,529 0.906,530 1.311,531 1.433,532 0.713,533 0.962,534 0.776,535 1.672,536 0.831,537 0.501,538 0.709,539 0.581,540 0.753,541 0.478,542 0.689,543 3.432,544 0.922,545 1.726,546 1.017,547 3.965,548 1.214,549 5,551 2,552 1.375,553 0.76,554 0.326,555 0.164,556 0.056,559 1044,560 2282,561 1.79,562 56.3,563 3,564 14,567 1,572 1.513,573 1.6,574 2.575,575 -0.305,579 1,582 41.922,583 1.31,584 3.014,585 3.929,586 4.179,587 4.179,588 4.179,589 1.924,590 2.896,591 3.78,592 2.653,593 241.393,594 6.32,595 1896.08,597 1,600 160,601 1.809,602 3.655,603 0.357,605 0.1,606 0.076,607 0.045,608 0.027,609 0.027,610 0.014,613 0.647,614 1,615 1,616 1.618,617 52.34,618 -0.027,619 -0.291,620 0.015,621 -0.105,622 -0.195,623 -0.057,624 -0.079,625 0.302,626 0.155,627 0.248,628 0.147,629 0.236,630 -0.109,631 -0.421,632 -0.351,633 -0.415,634 -0.156,635 -0.41,636 0.109,637 0.189,638 0.132,639 0.152,640 0.088,641 0.147,642 -0.027,643 -0.261,644 -0.241,645 -0.32,646 -0.045,647 -0.302,648 -0.129,649 0.063,650 -0.02,651 0.086,652 -0.186,653 0.045,654 0.181,655 0.047,656 0.293,657 0.105,658 0.357,659 0.199,660 -0.625,661 -0.159,662 -0.636,663 -0.196,664 -0.805,665 -0.399,666 1.351,667 3.378,668 0.429,669 6.694,670 0.982,671 1.132,672 -1.001,673 1.003,674 0.623,675 2.708,676 3.045,677 3.091,678 3.258,679 3.258,680 2.944,681 2.89,682 2.079,683 1.946,685 3.691,686 0.569,687 192.31,688 2.708,689 4.234,690 5.017,691 5.9,692 6.713,693 7.595,694 8.423,695 9.302,696 10.137,697 11.013,698 3.1,712 1,715 4,720 2,722 6,738 1,741 32,743 7,744 1,745 14,747 32,748 12,749 6,750 2,751 4,756 1,757 1,763 1,772 8,773 4,777 1,778 1,786 1,790 1,793 18,794 1,795 1,796 2,802 1,803 1,807 1,808 1,809 1,829 1,848 1,850 1,859 1,864 3,868 14,875 1,876 1,883 1,893 3.1,895 1,901 8.75,902 6.533,903 3.042,904 1.793,907 1.246,908 1.243,909 0.855,910 3.09,911 6.37,912 2.944,913 3.481,914 3.812,915 4.285,916 4.676,917 4.492,918 4.594,919 3.944,920 4.123,922 0.75,923 18,924 5.142,925 0.002,926 2.002,927 0.026,929 7.714,931 9.892,932 0.001,933 7.588,934 0.001,936 2.214,937 31,938 0.006,941 200.109,942 87.338,945 42.683,948 87.338,949 242.792,951 25.618,952 17.873,953 37.905,954 42.683,955 5.942,957 200.109,959 200.109,960 87.338,961 42.683,964 200.109,965 42.683,968 10.931,969 76.407,972 200.109,973 42.683,974 87.338,977 200.109,978 8.048,979 63.523,981 58.45,982 200.109,983 42.683,984 87.338,986 0.592,987 0.3,988 0.157,989 0.078,990 9,991 5,992 0.094,993 3,995 1,996 2.439,997 81.445,999 6,1000 49.303,1005 10.961,1006 3.947,1007 2.961,1009 42.683,1010 7.36,1015 1.406,1017 42.683,1018 330.13,1019 18,1020 3.91,1028 1.137,1031 31.44,1032 36.237,1034 0.262,1035 0.603,1036 0.786,1037 0.836,1038 0.836,1039 0.836,1040 4.182,1041 -0.777,1042 5.106,1043 -1.101,1044 3.714,1045 4.159,1046 1.479,1047 5.974,1048 3.62,1049 5.43,1050 -1,1051 6.725,1052 -2,1053 3.761,1054 4.159,1055 0.931,1056 7.413,1057 3.547,1058 6.767,1059 -1,1060 8.473,1061 -2.172,1062 5.451,1063 6.26,1064 1.558,1065 10.38,1066 5.215,1067 8.134,1068 -1.35,1069 10.3,1070 -3,1071 6.217,1072 6.895,1073 1.381,1074 12.583,1075 5.837,1076 9.528,1077 -1.653,1078 12.179,1079 -3.401,1080 7.572,1081 8.639,1082 1.831,1083 15.237,1084 7.156,1085 10.943,1086 -1.887,1087 14.092,1088 -5.301,1089 8.621,1090 9.576,1091 1.838,1092 17.668,1093 8.073,1094 12.376,1095 -2,1096 16.029,1097 -5.514,1098 9.876,1099 11.155,1100 2.198,1101 20.234,1102 9.271,1103 3.391,1105 17.982,1106 -7.347,1107 11.032,1108 12.259,1109 2.311,1110 22.731,1111 10.316,1112 2.414,1113 12.508,1114 19.946,1116 12.259,1117 13.748,1118 2.619,1119 25.271,1120 11.472,1121 2.041,1122 6.598,1123 21.918,1124 3.878,1125 13.455,1126 14.951,1127 2.793,1128 27.788,1129 12.57,1130 1.497,1131 5.09,1132 23.896,1133 3.12,1134 14.676,1135 16.386,1136 3.072,1137 30.318,1138 13.713,1139 1.111,1140 3.997,1141 25.876,1142 2.593,1143 15.887,1144 17.648,1145 3.281,1146 32.842,1147 14.834,1148 -0.372,1149 2.526,1150 27.86,1151 1.992,1152 17.106,1153 19.052,1154 3.546,1155 35.37,1156 15.973,1157 -0.414,1158 -0.882,1159 29.845,1160 1.597,1161 18.323,1162 20.35,1163 3.773,1164 37.895,1165 17.104,1166 1201,1167 1820,1168 8.148,1169 19.932,1170 21.448,1171 20.742,1172 21.794,1173 20.991,1174 20.908,1175 26.361,1176 3.978,1177 61.436,1178 19.985,1179 5.309,1180 5.75,1181 6.859,1182 5.312,1183 5.391,1184 6.878,1185 2.208,1186 19.855,1187 5.125,1188 8.934,1189 1.532,1190 1.482,1191 1.557,1192 1.499,1193 1.493,1194 1.883,1195 0.284,1196 4.388,1197 1.428,1198 3.993,1199 4.042,1200 3.924,1201 3.875,1202 6.471,1203 3.881,1204 3.696,1205 3.744,1206 3.584,1207 3.58,1208 4.734,1209 3.572,1210 3.431,1211 3.513,1212 3.264,1213 3.236,1214 4.607,1215 3.233,1216 2.933,1217 3.009,1218 2.806,1219 2.746,1220 4.159,1221 2.749,1222 2.874,1223 2.971,1224 2.561,1225 2.618,1226 3.567,1227 2.584,1228 2.781,1229 2.912,1230 2.499,1231 2.602,1232 3.527,1233 2.57,1234 2.737,1235 2.816,1236 2.413,1237 2.528,1238 3.467,1239 2.481,1240 2.578,1241 2.703,1242 2.229,1243 2.334,1244 3.341,1245 2.291,1246 0.322,1247 0.268,1248 0.522,1249 0.308,1250 0.242,1251 4.506,1252 0.277,1253 3.75,1254 0.092,1255 7.308,1256 0.893,1257 4.312,1258 0.223,1259 3.391,1260 3.878,1261 1.285,1262 12.508,1263 3.125,1264 1.941,1265 1.903,1266 2.074,1267 2.098,1268 1.284,1269 2.094,1270 1.694,1271 1.644,1272 1.89,1273 1.837,1274 0.964,1275 1.856,1276 1.426,1277 1.342,1278 1.724,1279 1.651,1280 0.78,1281 1.682,1282 0.934,1283 0.839,1284 1.417,1285 1.239,1286 0.469,1287 1.308,1288 0.883,1289 0.804,1290 1.308,1291 1.142,1292 0.413,1293 1.203,1294 0.838,1295 0.714,1296 1.147,1297 1.135,1298 0.171,1299 1.131,1300 0.759,1301 0.689,1302 1.133,1303 0.989,1304 0.093,1305 1.046,1306 0.63,1307 0.508,1308 1.013,1309 0.901,1310 0.01,1311 0.949,1312 3.367,1314 4.691,1316 6.196,1318 7.789,1320 9.427,1322 6.218,1327 9.378,1328 0.878,1335 0.712,1340 18.214,1341 41.922,1342 96.436,1343 125.735,1344 133.735,1345 133.735,1346 133.735,1347 23.218,1348 5.124,1349 20.23,1350 20.23,1351 6,1352 11.56,1353 3,1354 2.322,1355 27.737,1356 30,1357 26,1358 0.489,1359 119.03,1360 203.45,1361 282.193,1362 679,1364 10.768,1365 0.769,1366 0.655,1367 10.768,1368 9.171,1369 6.416,1370 0.458,1371 0.347,1372 4.787,1373 6.211,1374 4.5,1375 3.891,1376 6.416,1377 4.856,1378 6.555,1379 0.328,1380 0.228,1381 6.555,1382 4.568,1383 3.976,1384 0.189,1385 0.113,1386 3.976,1387 2.371,1388 3.363,1389 0.135,1390 0.071,1391 3.363,1392 1.783,1393 2.115,1394 0.085,1395 0.033,1396 2.115,1397 0.817,1398 0.712,1399 39.892,1400 0.35,1401 13.967,1402 1.498,1403 68,1404 146.483,1405 72.546,1406 149.158,1407 197.72,1408 136,1409 75,1410 143.284,1411 80.491,1412 151.728,1413 210.51,1414 138,1415 5}
{0 CHEMBL61180,1 1.289,2 7.833,3 1.865,4 3.478,5 73.706,6 6.378,7 0.632,8 3.692,9 3.824,10 3.123,11 3.233,12 4.723,13 3.176,14 4.214,15 4.419,16 3.433,17 3.623,18 5.134,19 3.543,20 4.505,21 4.711,22 3.395,23 3.812,24 5.382,25 3.653,26 4.724,27 5.049,28 3.311,29 3.757,30 5.391,31 3.561,32 4.451,33 4.678,34 3.257,35 3.714,36 5.321,37 3.544,38 4.597,39 4.902,40 3.151,41 3.685,42 5.36,43 3.475,44 4.351,45 4.629,46 2.799,47 3.402,48 5.246,49 3.193,50 3.961,51 4.287,52 2.587,53 3.017,54 4.754,55 2.824,56 0.051,57 0.508,58 8.987,59 3.663,60 8.654,61 5.156,62 0.127,63 0.833,64 15.444,65 5.666,66 12.682,67 8.296,68 0.112,69 1.048,70 20.371,71 8.516,72 20.287,73 12.023,74 0.188,75 1.181,76 25.489,77 9.583,78 25.774,79 14.195,80 0.19,81 0.976,82 19.447,83 7.787,84 22.814,85 11.123,86 0.14,87 1.037,88 22.281,89 9.008,90 25.335,91 12.99,92 0.186,93 0.769,94 17.78,95 6.846,96 34.901,97 9.509,98 0.073,99 0.522,100 11.668,101 4.748,102 16.706,103 6.814,104 10,105 26,106 0.235,107 0.494,108 0.616,109 0.73,110 0.782,111 0.814,112 2.959,113 1.006,114 -0.83,115 -0.94,116 -1.05,121 42.1,126 2,127 2,144 9,145 2,146 1,176 10,185 2,187 10,189 2,197 2,200 5,203 4,211 1,214 1,216 3,226 1,227 4,229 2,239 7,249 1,251 8,261 2,264 6,274 2,277 3,281 380,282 11.723,283 11.723,284 11.723,285 11.723,286 11.723,287 10.196,288 13.454,289 7.113,290 11.886,291 9.432,292 9.432,293 9.432,294 9.432,295 9.432,296 7.303,297 19.416,298 3.452,299 9.734,300 3.959,301 2.534,302 1.863,303 1.237,304 0.954,305 0.777,306 3.611,310 1,311 1,312 1,313 293,314 3.082,318 127.191,325 1.315,326 8.922,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 37.5,338 141,339 4.304,340 3.651,341 6.776,342 4.162,343 3.244,344 3.683,345 1.31,346 11.208,347 2.986,348 3.985,349 2.801,350 5.483,351 3.577,352 2.596,353 3.495,354 0.359,355 7.361,356 2.546,357 3.763,358 2.567,359 5.25,360 3.372,361 2.386,362 3.067,363 0.13,364 6.677,365 2.342,366 3.227,367 2.195,368 4.715,369 2.853,370 1.888,371 2.46,373 5.181,374 1.813,375 2.866,376 1.526,377 3.668,378 2.428,379 1.431,380 2.017,382 3.057,383 1.427,384 2.66,385 1.246,386 3.485,387 2.181,388 1.188,389 1.734,391 2.597,392 1.179,393 2.5,394 1,395 3.289,396 2,397 1,398 1.5,400 2.136,401 1,402 1.22,403 0.288,404 3.247,405 0.973,411 1.04,412 0.097,413 2.773,414 0.762,415 -0.213,416 -0.249,418 -0.558,419 -0.206,420 0.862,421 -0.057,422 2,423 0.491,424 -0.431,425 -0.53,427 -1.017,428 -0.391,429 0.5,430 -0.6,431 2,433 -1,434 -1,436 -2.347,437 -0.9,438 0.388,439 -0.818,440 2,441 -0.021,442 -1,443 -1.239,445 -2.538,446 -0.96,447 0.307,448 -0.888,449 1.757,450 -0.037,451 -1,452 -1.325,454 -2.886,455 -0.976,457 -1,458 1.555,459 -0.1,460 -1,461 -1.5,463 -3,464 -1,465 -0.106,466 -1.182,467 1.347,468 -0.455,469 -1.383,470 -1.806,472 -3.434,473 -1.293,474 8.733,475 0.485,476 0.536,477 0.03,478 23.25,479 1.292,480 12.5,481 0.694,482 10.75,483 0.597,484 12.243,485 0.68,486 19.767,487 0.52,488 15.224,489 0.846,490 4.91,491 0.273,492 3.64,493 0.202,494 0.153,495 0.046,496 0.172,501 1.064,502 1.354,503 0.982,504 1.121,505 1.031,506 1.056,507 1.201,508 0.864,509 1.009,510 0.824,511 0.53,512 0.863,513 0.879,514 1.48,515 1.303,516 1.454,517 0.947,518 1.424,519 0.653,520 0.779,521 0.704,522 0.726,523 0.492,524 0.715,525 0.952,526 1.232,527 1.289,528 1.261,529 1.096,530 1.297,531 0.582,532 0.884,533 0.864,534 0.945,535 0.57,536 0.929,537 1.762,538 0.888,539 1.17,540 0.961,541 2.096,542 1.023,543 0.485,544 0.656,545 0.569,546 0.694,547 0.556,548 0.649,549 5,550 0.012,551 1.333,552 1.563,553 0.893,554 0.542,555 0.281,556 0.069,557 0.082,558 0.041,559 2731,560 5953,561 1.981,562 52.6,564 19,567 1,572 1.586,573 1.846,574 2.985,575 -0.389,577 1,579 1,582 48.983,583 1.289,584 2.714,585 3.385,586 4.011,587 4.294,588 4.471,589 2.461,590 3.684,591 4.145,592 3.125,593 478.132,594 7.027,595 4560.37,596 1,597 1,599 1,600 199.421,601 1.528,602 4.083,603 0.263,604 0.006,605 0.051,606 0.071,607 0.043,608 0.029,609 0.017,610 0.006,611 0.008,612 0.007,613 0.501,614 0.83,615 1,616 0.662,617 76.687,618 -0.023,619 -0.171,620 0.035,621 -0.035,622 -0.121,623 -0.007,624 -0.15,625 0.308,626 0.008,627 0.168,628 0.098,629 0.121,630 -0.072,631 -0.444,632 -0.34,633 -0.421,634 -0.127,635 -0.409,636 0.082,637 0.139,638 0.247,639 0.194,640 0.126,641 0.229,642 -0.027,643 -0.198,644 -0.317,645 -0.259,646 -0.213,647 -0.307,648 0.063,649 0.03,650 0.073,651 0.012,652 0.108,653 0.042,654 -0.227,655 -0.003,656 -0.171,657 -0.011,658 -0.298,659 -0.079,660 0.177,661 0.204,662 0.367,663 0.254,664 0.244,665 0.318,666 1.327,667 3.493,668 0.667,669 11.333,670 0.982,671 1.122,672 -0.397,673 0.158,674 0.65,675 2.996,676 3.296,677 3.367,678 3.611,679 3.689,680 3.555,681 3.434,682 3.526,683 3.178,684 3.219,685 4.857,686 0.598,687 242.37,688 2.996,689 4.511,690 5.293,691 6.159,692 6.956,693 7.827,694 8.629,695 9.502,696 10.306,697 11.181,698 2.6,712 1,715 9,720 3,722 12,738 1,741 38,743 12,744 2,745 19,747 39,748 16,749 12,750 3,751 9,756 2,757 2,772 12,773 4,790 1,793 20,794 1,795 1,796 2,802 1,803 1,807 1,808 1,809 1,829 2,859 2,864 2,868 18,875 1,876 2,883 1,893 2.6,895 1,901 9.75,902 7.2,903 3.917,904 2.217,907 2.003,908 1.34,909 0.906,910 3.801,911 7.898,912 3.258,913 3.807,914 4.205,915 4.721,916 5.143,917 4.921,918 4.941,919 5.273,920 5.124,921 5.558,922 1,923 22,924 6.633,926 2.673,927 0.026,929 7.583,931 12.96,933 10.356,936 2.083,937 37.5,938 0.002,941 223.651,942 112.662,945 42.683,948 112.662,949 266.334,951 16.793,952 4.211,953 85.286,954 42.683,955 6.371,957 223.651,959 223.651,960 112.662,961 42.683,964 223.651,965 42.683,968 4.211,969 108.45,972 223.651,973 42.683,974 112.662,977 223.651,978 10.583,979 102.079,981 42.683,982 223.651,983 42.683,984 112.662,986 0.578,987 0.295,988 0.161,989 0.084,990 12,991 5,992 0.103,993 4,995 1,996 3.048,997 119.892,999 12,1000 69.059,1005 12.811,1006 5.34,1007 3.967,1009 42.683,1010 18.001,1015 2.839,1017 42.683,1018 378.996,1019 25,1031 37.323,1032 42.652,1034 0.246,1035 0.517,1036 0.645,1037 0.764,1038 0.818,1039 0.852,1040 4.466,1042 5.313,1043 2.136,1044 3.97,1045 4.489,1046 1.388,1047 6.094,1048 3.902,1049 5.675,1050 -0.213,1051 6.853,1053 3.761,1054 4.182,1055 0.931,1056 7.273,1057 3.564,1058 6.972,1059 -0.431,1060 8.507,1061 -0.558,1062 5.609,1063 6.576,1064 1.502,1065 10.176,1066 5.434,1067 8.298,1068 -1,1069 10.232,1070 -1.017,1071 6.155,1072 6.912,1073 1.505,1074 12.15,1075 5.82,1076 9.648,1077 -1,1078 12.003,1079 -2.347,1080 7.569,1081 8.881,1082 1.845,1083 14.695,1084 7.242,1085 11.015,1086 -1,1087 13.807,1088 -2.538,1089 8.453,1090 9.544,1091 2.008,1092 16.957,1093 7.97,1094 12.396,1095 -1,1096 15.635,1097 -2.886,1098 9.704,1099 11.289,1100 2.286,1101 19.406,1102 9.197,1103 3.244,1104 -1.383,1105 17.481,1106 -3,1107 10.745,1108 12.149,1109 2.509,1110 21.77,1111 10.098,1112 2.596,1113 11.208,1114 19.341,1115 -3.434,1116 11.936,1117 13.751,1118 2.773,1119 24.194,1120 11.237,1121 2.386,1122 7.361,1123 21.212,1124 3.683,1125 13.048,1126 14.742,1127 3.021,1128 26.592,1129 12.227,1130 1.888,1131 6.677,1132 23.091,1133 3.495,1134 14.221,1135 16.248,1136 3.285,1137 29.01,1138 13.329,1139 1.431,1140 5.181,1141 24.978,1142 3.067,1143 15.365,1144 17.329,1145 3.544,1146 31.42,1147 14.365,1148 1.188,1149 3.057,1150 26.87,1151 2.46,1152 16.535,1153 18.768,1154 3.808,1155 33.837,1156 15.454,1157 1,1158 2.597,1159 28.767,1160 2.017,1161 17.695,1162 19.913,1163 4.073,1164 36.251,1165 16.514,1166 2765,1167 4136,1168 12.307,1169 24.694,1170 28.187,1171 27.333,1172 28.107,1173 27.597,1174 27.464,1175 35.914,1176 3.597,1177 76.434,1178 26.586,1179 5.166,1180 5.651,1181 6.578,1182 5.162,1183 5.244,1184 6.683,1185 2.069,1186 17.863,1187 4.986,1188 8.331,1189 1.484,1190 1.439,1191 1.479,1192 1.452,1193 1.445,1194 1.89,1195 0.189,1196 4.023,1197 1.399,1198 4.004,1199 4.052,1200 3.925,1201 3.905,1202 6.471,1203 3.904,1204 3.875,1205 3.903,1206 3.807,1207 3.817,1208 4.762,1209 3.811,1210 3.658,1211 3.728,1212 3.536,1213 3.455,1214 4.628,1215 3.466,1216 3.026,1217 3.084,1218 2.892,1219 2.899,1220 4.276,1221 2.885,1222 2.974,1223 3.058,1224 2.798,1225 2.812,1226 3.674,1227 2.792,1228 2.914,1229 3.009,1230 2.742,1231 2.745,1232 3.674,1233 2.745,1234 2.874,1235 2.965,1236 2.687,1237 2.735,1238 3.635,1239 2.715,1240 2.854,1241 2.925,1242 2.499,1243 2.618,1244 3.467,1245 2.57,1246 0.227,1247 0.192,1248 0.357,1249 0.219,1250 0.171,1251 4.304,1252 0.194,1253 3.651,1254 0.069,1255 6.776,1256 0.59,1257 4.162,1258 0.157,1259 3.244,1260 3.683,1261 1.31,1262 11.208,1263 2.986,1264 1.96,1265 1.923,1266 2.098,1267 2.103,1268 1.345,1269 2.105,1270 1.882,1271 1.856,1272 2.004,1273 1.965,1274 1.106,1275 1.979,1276 1.622,1277 1.546,1278 1.847,1279 1.832,1280 0.954,1281 1.842,1282 1.038,1283 0.979,1284 1.417,1285 1.239,1286 0.523,1287 1.308,1288 1.002,1289 0.92,1290 1.36,1291 1.235,1292 0.497,1293 1.276,1294 0.934,1295 0.838,1296 1.325,1297 1.216,1298 0.469,1299 1.257,1300 0.886,1301 0.821,1302 1.181,1303 1.127,1304 0.218,1305 1.13,1306 0.883,1307 0.804,1308 1.135,1309 1.062,1310 0.149,1311 1.107,1312 3.664,1314 4.963,1316 6.441,1318 7.995,1320 9.585,1322 4.411,1327 9.493,1328 1.889,1335 0.869,1340 22.741,1341 48.983,1342 103.143,1343 128.627,1344 152.402,1345 163.157,1346 169.911,1347 25.449,1348 5.894,1349 20.23,1350 20.23,1351 12,1352 11.736,1353 3.7,1354 2.807,1355 31.019,1356 51,1357 46,1358 0.297,1359 144.151,1360 244.11,1361 343.488,1362 2245,1364 13.01,1365 0.723,1366 0.614,1367 13.01,1368 11.058,1369 8.55,1370 0.45,1371 0.335,1372 6.298,1373 8.345,1374 6.043,1375 5.136,1376 8.55,1377 6.37,1378 8.214,1379 0.316,1380 0.218,1381 8.214,1382 5.673,1383 5.452,1384 0.195,1385 0.111,1386 5.452,1387 3.119,1388 4.783,1389 0.133,1390 0.067,1391 4.783,1392 2.43,1393 3.368,1394 0.086,1395 0.038,1396 3.368,1397 1.464,1398 0.458,1399 52.734,1400 0.285,1401 18.195,1402 0.832,1403 90,1404 190.483,1405 94.213,1406 194.181,1407 263.05,1408 180,1409 99,1410 190.72,1411 104.325,1412 201.051,1413 282.03,1414 186,1415 5}
{0 CHEMBL611808,1 1.354,2 6.2,3 3.022,4 9.134,5 80.857,6 6.438,7 0.261,8 3.832,9 3.96,10 3.297,11 3.393,12 4.752,13 3.34,14 4.457,15 4.651,16 3.749,17 3.889,18 5.298,19 3.813,20 4.82,21 5.031,22 3.931,23 4.182,24 5.597,25 4.074,26 5.034,27 5.286,28 3.907,29 4.279,30 5.748,31 4.124,32 5.071,33 5.355,34 3.659,35 4.187,36 5.77,37 3.987,38 4.885,39 5.201,40 3.164,41 3.836,42 5.61,43 3.579,44 4.474,45 4.839,46 2.463,47 3.156,48 5.2,49 2.872,50 3.557,51 3.868,52 1.671,53 2.182,54 4.554,55 1.978,56 0.051,57 0.612,58 10.254,59 4.268,60 7.669,61 6.014,62 0.17,63 1.092,64 19.53,65 7.51,66 18.496,67 10.99,68 0.187,69 1.52,70 28.116,71 10.813,72 21.983,73 15.823,74 0.239,75 1.768,76 34.801,77 13.637,78 24.152,79 19.943,80 0.275,81 1.722,82 36.338,83 13.551,84 31.542,85 20.138,86 0.285,87 1.312,88 30.33,89 11.018,90 34.945,91 16.436,92 0.236,93 0.75,94 20.508,95 6.562,96 30.097,97 9.862,98 0.149,99 0.261,100 8.413,101 2.447,102 21.317,103 3.351,104 10,105 36,106 0.241,107 0.596,108 0.835,109 0.878,110 0.878,111 0.878,112 3.063,113 1.003,114 -4.51,115 -4.44,116 -4.18,121 40.5,122 1,123 4,124 2,126 1,127 1,132 1,137 1,138 1,144 2,145 1,148 1,149 1,176 10,180 7,183 1,185 1,187 14,192 6,197 1,200 14,205 1,206 7,211 2,214 16,219 2,224 1,227 8,232 2,235 1,237 3,239 4,249 2,261 2,281 418,282 13.435,283 13.435,284 13.435,285 13.435,286 13.435,287 12.413,288 18.572,289 7.528,290 13.644,291 11.337,292 11.337,293 11.337,294 11.337,295 11.337,296 9.814,297 25.118,298 3.522,299 11.69,300 4.038,301 2.043,302 0.703,303 0.465,304 0.465,305 0.465,306 3.758,310 1,311 1,312 1,313 275,314 2.55,318 113.113,320 36.84,322 143.794,324 58.574,325 0.94,326 13.708,327 1,328 1,329 1,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.98,337 42,338 124,339 4.855,340 4.048,341 8.283,342 4.756,343 3.779,344 4.175,345 0.916,346 16.457,347 3.695,348 4.027,349 2.898,350 6.184,351 3.633,352 2.679,353 3.443,354 0.68,355 8.743,356 2.567,357 3.747,358 2.851,359 6.037,360 3.526,361 2.539,362 2.958,363 0.172,364 8.451,365 2.496,366 3.378,367 2.493,368 5.117,369 3.142,370 2.144,371 2.598,373 6.043,374 2.14,375 3.307,376 2.331,377 5.097,378 2.988,379 2.048,380 2.362,382 5.723,383 1.915,384 2.857,385 2.019,386 4.898,387 2.684,388 1.732,389 1.925,391 4.919,392 1.645,393 2.561,394 1.44,395 4.265,396 2.317,397 1.331,398 1.566,400 3.327,401 1.31,402 2.321,403 1.329,404 3.981,405 2.173,406 1.198,407 1.316,409 3.19,410 1.165,411 1.369,412 0.51,413 3.35,414 1.222,415 0.245,416 0.252,418 0.635,419 0.239,420 1.3,421 0.364,422 3.215,423 1.109,424 0.123,425 0.144,427 0.344,428 0.121,429 0.876,430 0.061,431 2.819,432 0.587,433 -0.339,434 -0.389,436 -0.84,437 -0.31,438 0.717,439 -0.21,440 2.741,441 0.5,442 -0.477,443 -0.487,445 -1.163,446 -0.464,447 0.5,448 -0.31,449 2.501,450 0.326,451 -0.657,452 -0.729,454 -1.993,455 -0.644,456 0.28,457 -0.604,458 2.333,459 0.113,460 -0.852,461 -0.983,463 -2.251,464 -0.82,465 0.113,466 -0.975,467 1.946,468 -0.203,469 -1.171,470 -1.355,472 -3.298,473 -1.121,474 9.633,475 0.482,476 0.649,477 0.032,478 20.5,479 1.025,480 7.5,481 0.375,482 13,483 0.65,484 21.58,485 1.079,486 22.167,487 0.528,488 11.971,489 0.599,490 3.356,491 0.168,492 6.253,493 0.313,494 0.138,495 0.052,496 0.353,501 0.928,502 1.308,503 0.923,504 1.111,505 0.939,506 1.034,507 0.713,508 1.069,509 0.864,510 0.94,511 0.413,512 0.911,513 0.876,514 1.142,515 1.047,516 1.082,517 0.652,518 1.073,519 0.636,520 1.121,521 1.019,522 1.126,523 0.518,524 1.11,525 0.798,526 1.05,527 1.082,528 1.091,529 0.7,530 1.106,531 0.738,532 1.009,533 1.029,534 1.092,535 0.881,536 1.088,537 1.402,538 0.59,539 0.795,540 0.653,541 1.61,542 0.668,543 3.47,544 0.601,545 1.175,546 0.663,547 4.382,548 0.74,549 5.5,551 3.333,552 2.375,553 1.956,554 0.861,555 0.402,556 0.134,557 0.02,559 3135,560 6059,561 2.151,562 52.4,563 6,564 8,567 1,568 2,569 5,572 1.631,573 1.983,574 2.608,575 -0.37,577 1,579 1,582 56.883,583 1.354,584 3.349,585 4.69,586 4.928,587 4.928,588 4.928,589 2.148,590 3.622,591 4.296,592 2.685,593 510.087,594 7.404,595 4879.14,596 1,597 1,599 1,600 226.477,601 1.675,602 4.235,603 0.239,605 0.093,606 0.057,607 0.05,608 0.031,609 0.029,610 0.022,611 0.01,613 0.53,614 0.83,615 1,616 0.627,617 83.404,618 -0.026,619 -0.089,620 0.071,621 0.031,622 -0.057,623 0.052,624 0.11,625 0.087,626 0.123,627 0.118,628 0.179,629 0.122,630 -0.081,631 -0.027,632 -0.072,633 -0.041,634 -0.025,635 -0.052,636 0.019,637 -0.099,638 -0.068,639 -0.111,640 0.023,641 -0.101,642 -0.062,643 -0.086,644 -0.131,645 -0.123,646 -0.046,647 -0.13,648 0.085,649 -0.129,650 -0.079,651 -0.163,652 -0.005,653 -0.139,654 -0.008,655 0.171,656 0.2,657 0.189,658 -0.015,659 0.214,660 -0.382,661 0.092,662 -0.051,663 0.162,664 -0.389,665 0.089,666 1.504,667 3.723,668 0.85,669 10.21,670 0.985,671 1.128,672 3.283,673 10.778,674 0.645,675 3.178,676 3.611,677 4.007,678 4.419,679 4.762,680 4.927,681 5.094,682 5.198,683 5.22,684 5.118,685 3.835,686 0.596,687 270.41,688 3.178,689 4.779,690 5.7,691 6.661,692 7.608,693 8.576,694 9.532,695 10.502,696 11.461,697 12.431,698 4.8,701 1,708 1,715 2,716 1,720 3,722 6,738 1,741 42,743 7,745 23,747 45,748 17,749 5,756 4,757 10,763 1,767 4,768 3,770 4,772 7,773 10,774 3,777 1,784 1,786 1,789 1,790 1,793 22,794 3,795 1,796 3,802 2,808 0.25,809 1,822 1,829 4,831 1,833 3,835 1,849 1,850 1,855 1,859 1,864 2,868 20,875 1,876 5,880 2,881 1,882 1,893 2.4,895 1,901 10.083,902 8.017,903 4.181,904 2.75,907 1.559,908 1.21,909 0.95,910 2.609,911 8.989,912 3.332,913 3.922,914 4.457,915 5.03,916 5.57,917 5.863,918 6.188,919 6.486,920 6.691,921 6.805,922 1,923 42,924 7.462,926 3.33,927 0.026,929 7.454,931 15.036,933 13.784,936 1.954,937 39.083,938 0.003,941 247.193,942 67.022,943 19.91,945 42.683,948 67.022,949 289.876,950 19.91,951 17.222,952 12.244,953 28.429,954 59.469,955 12.252,957 247.193,959 247.193,960 86.932,961 42.683,964 188.338,965 101.539,968 26.95,969 33.72,970 26.262,972 247.193,973 62.593,974 67.022,977 247.193,978 21.372,979 48.775,981 59.469,982 247.193,983 62.593,984 67.022,986 0.605,987 0.376,988 0.229,989 0.137,990 22,991 9,994 4,995 1.412,996 3.029,997 177.36,998 0.471,999 16,1000 84.439,1005 12.551,1006 4.157,1007 1.604,1009 62.593,1010 3.891,1011 4.441,1015 2.644,1017 42.683,1018 376.808,1019 27,1026 2.469,1028 1.513,1031 41.367,1032 47.358,1034 0.251,1035 0.621,1036 0.87,1037 0.914,1038 0.914,1039 0.914,1040 4.668,1041 1.198,1042 5.765,1043 3.327,1044 4.29,1045 4.605,1046 1.232,1047 6.77,1048 4.236,1049 5.895,1050 0.245,1051 7.448,1052 3.19,1053 4.205,1054 4.559,1055 0.325,1056 8.318,1057 4.116,1058 7.255,1059 0.123,1060 9.257,1061 0.635,1062 6.098,1063 6.722,1064 0.869,1065 11.546,1066 5.998,1067 8.649,1068 -0.339,1069 11.15,1070 0.344,1071 6.847,1072 7.436,1073 0.393,1074 13.998,1075 6.717,1076 10.082,1077 -0.477,1078 13.103,1079 -0.84,1080 8.317,1081 9.16,1082 0.642,1083 16.892,1084 8.174,1085 11.544,1086 -0.657,1087 15.101,1088 -1.163,1089 9.428,1090 10.228,1091 0.384,1092 19.606,1093 9.26,1094 13.028,1095 -0.852,1096 17.131,1097 -1.993,1098 10.78,1099 11.781,1100 0.495,1101 22.428,1102 10.594,1103 3.779,1104 -1.171,1105 19.184,1106 -2.251,1107 12.03,1108 13.023,1109 0.351,1110 25.207,1111 11.822,1112 2.679,1113 16.457,1114 21.255,1115 -3.298,1116 13.356,1117 14.504,1118 0.395,1119 28.013,1120 13.128,1121 2.539,1122 8.743,1123 23.338,1124 4.175,1125 14.657,1126 15.833,1127 0.312,1128 30.808,1129 14.406,1130 2.144,1131 8.451,1132 25.43,1133 3.443,1134 15.98,1135 17.282,1136 0.323,1137 33.61,1138 15.708,1139 2.048,1140 6.043,1141 27.528,1142 2.958,1143 17.298,1144 18.657,1145 0.273,1146 36.41,1147 17.004,1148 1.732,1149 5.723,1150 29.631,1151 2.598,1152 18.624,1153 20.093,1154 0.269,1155 39.211,1156 18.308,1157 1.331,1158 4.919,1159 31.736,1160 2.362,1161 19.948,1162 21.491,1163 0.236,1164 42.011,1165 19.61,1166 3033,1167 4288,1168 15.315,1169 27.08,1170 35.965,1171 35.816,1172 38.246,1173 35.71,1174 35.633,1175 41.482,1176 3.538,1177 115.662,1178 34.587,1179 5.855,1180 6.048,1181 7.803,1182 5.796,1183 5.779,1184 7.175,1185 1.605,1186 25.065,1187 5.695,1188 8.931,1189 1.564,1190 1.557,1191 1.663,1192 1.553,1193 1.549,1194 1.804,1195 0.154,1196 5.029,1197 1.504,1198 4.108,1199 4.145,1200 4.046,1201 4.027,1202 6.476,1203 4.027,1204 3.732,1205 3.775,1206 3.66,1207 3.612,1208 4.76,1209 3.617,1210 3.595,1211 3.658,1212 3.457,1213 3.465,1214 4.429,1215 3.454,1216 3.344,1217 3.422,1218 3.177,1219 3.193,1220 4.204,1221 3.18,1222 3.195,1223 3.279,1224 3.02,1225 3.01,1226 3.886,1227 3.002,1228 3.034,1229 3.112,1230 2.856,1231 2.866,1232 3.782,1233 2.85,1234 2.857,1235 2.935,1236 2.661,1237 2.677,1238 3.64,1239 2.659,1240 2.752,1241 2.846,1242 2.533,1243 2.508,1244 3.374,1245 2.481,1246 0.211,1247 0.176,1248 0.36,1249 0.207,1250 0.164,1251 4.855,1252 0.182,1253 4.048,1254 0.04,1255 8.283,1256 0.716,1257 4.756,1258 0.161,1259 3.779,1260 4.175,1261 0.916,1262 16.457,1263 3.695,1264 2.071,1265 2.039,1266 2.191,1267 2.175,1268 1.598,1269 2.182,1270 1.702,1271 1.664,1272 1.871,1273 1.86,1274 1.161,1275 1.861,1276 1.605,1277 1.544,1278 1.816,1279 1.765,1280 0.949,1281 1.789,1282 1.354,1283 1.283,1284 1.643,1285 1.561,1286 0.894,1287 1.595,1288 1.204,1289 1.119,1290 1.547,1291 1.438,1292 0.676,1293 1.479,1294 1.047,1295 0.97,1296 1.386,1297 1.265,1298 0.645,1299 1.309,1300 0.868,1301 0.789,1302 1.261,1303 1.12,1304 0.469,1305 1.171,1306 0.763,1307 0.666,1308 1.084,1309 1.043,1310 0.247,1311 1.044,1312 3.85,1314 5.252,1316 6.891,1318 8.657,1320 10.494,1322 4.538,1327 9.723,1328 5.883,1332 1.303,1333 2.557,1334 0.121,1340 25.026,1341 56.883,1342 140.664,1343 196.968,1344 206.968,1345 206.968,1346 206.968,1347 27.185,1348 7.43,1349 36.36,1350 36.36,1351 24,1352 12.91,1353 3,1354 2.322,1355 25.769,1356 45,1357 52,1358 0.298,1359 150.142,1360 262.55,1361 358.106,1362 14527,1364 13.905,1365 0.695,1366 0.613,1367 13.905,1368 12.264,1369 9.609,1370 0.418,1371 0.334,1372 7.627,1373 9.372,1374 7.362,1375 6.061,1376 9.609,1377 7.69,1378 9.376,1379 0.26,1380 0.189,1381 9.376,1382 6.816,1383 8.277,1384 0.153,1385 0.106,1386 8.277,1387 5.722,1388 7.85,1389 0.096,1390 0.061,1391 7.85,1392 5.034,1393 7.013,1394 0.06,1395 0.036,1396 7.013,1397 4.141,1398 0.423,1399 59.277,1400 0.256,1401 18.661,1402 0.984,1403 118,1404 237.44,1405 124.683,1406 235.965,1407 335.08,1408 222,1409 149,1410 258.312,1411 155.823,1412 265.452,1413 397.04,1414 250,1415 4}
{0 CHEMBL612098,1 1.44,2 8.696,3 3.254,4 10.588,5 92.789,6 6.35,7 0.24,8 3.986,9 4.125,10 3.426,11 3.443,12 4.936,13 3.404,14 4.601,15 4.825,16 3.845,17 3.88,18 5.498,19 3.826,20 4.838,21 5.049,22 3.97,23 4.11,24 5.701,25 4.029,26 5.058,27 5.304,28 3.887,29 4.173,30 5.972,31 4.051,32 5.02,33 5.277,34 3.619,35 4.055,36 5.91,37 3.882,38 4.867,39 5.185,40 3.409,41 3.812,42 5.578,43 3.624,44 4.48,45 4.726,46 3.338,47 3.58,48 5.388,49 3.449,50 4.431,51 4.687,52 3.268,53 3.478,54 5.382,55 3.369,56 0.035,57 0.726,58 12.387,59 4.527,60 7.93,61 6.782,62 0.447,63 1.184,64 23.666,65 7.232,66 30.27,67 11.35,68 0.212,69 1.474,70 29.44,71 9.983,72 19.779,73 15.12,74 0.433,75 1.609,76 37.092,77 11.665,78 53.364,79 17.686,80 0.462,81 1.423,82 35.5,83 11.806,84 58.296,85 17.391,86 0.376,87 1.131,88 29.953,89 9.872,90 37.433,91 14.927,92 0.256,93 0.879,94 20.596,95 6.936,96 26.666,97 10.237,98 0.361,99 0.818,100 20.048,101 5.752,102 36.352,103 8.825,104 44,105 38,106 0.248,107 0.514,108 0.73,109 0.814,110 0.814,111 0.814,112 3.189,113 1.016,114 -3.83,115 -3.79,116 -3.6,121 36,122 3,123 1,125 1,126 2,127 3,130 1,144 3,145 1,146 2,161 1,176 5,179 4,180 9,187 6,192 8,200 5,206 11,214 4,218 1,219 7,227 2,231 1,232 2,239 4,243 2,244 4,251 4,255 2,264 2,269 2,277 4,281 630,282 15.203,283 15.203,284 15.203,285 15.203,286 15.203,287 14.412,288 25.426,289 8.411,290 15.689,291 12.116,292 12.116,293 12.116,294 12.116,295 12.116,296 10.778,297 34.02,298 3.722,299 12.803,300 4.204,301 2.661,302 1.406,303 0.915,304 0.915,305 0.915,306 3.859,310 1,311 1,312 1,313 421,314 3.873,317 85.233,318 48.763,320 68.853,321 73.945,324 103.233,325 1.327,326 17.641,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 49.5,338 200,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.208,346 15.306,347 3.657,348 4.041,349 3.782,350 6.214,351 3.744,352 2.815,353 3.342,354 0.966,355 8.869,356 2.608,357 3.835,358 2.834,359 6.169,360 3.551,361 2.59,362 3.042,363 0.693,364 8.556,365 2.478,366 3.524,367 2.744,368 6.023,369 3.356,370 2.422,371 2.704,372 0.655,373 8.38,374 2.255,375 3.36,376 2.543,377 5.281,378 3.115,379 2.186,380 2.447,381 0.13,382 6.624,383 2.024,384 2.675,385 2.248,386 4.759,387 2.473,388 1.536,389 1.661,391 4.46,392 1.431,393 2.591,394 1.745,395 4.22,396 2.283,397 1.305,398 1.583,400 3.209,401 1.258,402 2.508,403 1.171,404 4.027,405 2.126,406 1.132,407 1.489,409 3.058,410 1.124,411 1.783,412 0.928,413 3.719,414 1.691,415 0.725,416 0.757,418 1.802,419 0.698,420 1.618,421 0.744,422 3.087,423 1.591,424 0.618,425 0.618,427 0.791,428 0.6,429 1.232,430 0.699,431 2.821,432 0.897,433 -0.038,434 -0.043,436 -0.083,437 -0.035,438 0.788,439 0.036,440 2.618,441 0.656,442 -0.293,443 -0.299,445 -0.547,446 -0.275,447 0.762,448 -0.022,449 2.557,450 0.621,451 -0.377,452 -0.423,454 -0.754,455 -0.373,456 0.653,457 -0.272,458 2.427,459 0.307,460 -0.685,461 -0.853,463 -1.877,464 -0.675,465 0.515,466 -0.63,467 2.234,468 0.082,469 -0.909,470 -1,472 -2.705,473 -0.896,474 10.867,475 0.472,476 0.754,477 0.033,478 24,479 1.043,480 8.5,481 0.37,482 15.5,483 0.674,484 23.897,485 1.039,486 26.933,487 0.539,488 17.228,489 0.749,490 4.418,491 0.192,492 6.5,493 0.283,494 0.261,495 0.046,496 0.34,501 0.8,502 1.749,503 0.924,504 1.404,505 0.631,506 1.208,507 0.803,508 0.871,509 0.825,510 0.748,511 0.424,512 0.761,513 1.006,514 1.299,515 1.007,516 1.179,517 0.675,518 1.097,519 1.407,520 1.025,521 1.18,522 1.061,523 1.227,524 1.08,525 1.357,526 1.101,527 1.214,528 1.181,529 1.665,530 1.196,531 0.873,532 0.732,533 0.744,534 0.763,535 0.74,536 0.75,537 1.062,538 1.172,539 1.025,540 1.188,541 1.139,542 1.128,543 1.625,544 0.884,545 1.111,546 0.85,547 2.302,548 0.912,549 6,550 0.073,551 4.222,552 3.521,553 1.406,554 0.701,555 0.492,556 0.418,557 0.332,558 0.179,559 4890,560 9979,561 1.981,562 54,563 3,564 15,565 1,569 8,572 1.659,573 1.781,574 3.079,575 -0.772,576 1,577 1,582 71.997,583 1.44,584 2.983,585 4.238,586 4.728,587 4.728,588 4.728,589 2.518,590 4.176,591 4.494,592 3.242,593 820.232,594 7.75,595 9035.93,597 1,599 1,600 282.193,601 1.762,602 4.403,603 0.24,604 0.009,605 0.111,606 0.084,607 0.039,608 0.028,609 0.022,610 0.021,611 0.017,612 0.011,613 0.583,614 0.5,615 1,616 1.599,617 105.776,618 0.029,619 -0.402,620 0.087,621 -0.177,622 -0.039,623 -0.06,624 0.26,625 0.326,626 0.21,627 0.272,628 0.212,629 0.246,630 -0.055,631 -0.133,632 -0.005,633 -0.089,634 0.023,635 -0.044,636 -0.187,637 0.017,638 -0.161,639 -0.065,640 -0.023,641 -0.098,642 -0.116,643 -0.158,644 -0.216,645 -0.182,646 -0.192,647 -0.213,648 0.074,649 0.093,650 0.209,651 0.168,652 0.018,653 0.2,654 0.081,655 -0.181,656 -0.028,657 -0.166,658 -0.006,659 -0.126,660 -0.1,661 0.1,662 -0.057,663 0.082,664 -0.171,665 0.021,666 1.938,667 5.184,668 0.522,669 17.452,670 0.991,671 1.138,672 2.599,673 6.755,674 0.621,675 3.258,676 3.664,677 4.025,678 4.344,679 4.511,680 4.625,681 4.812,682 4.905,683 4.905,684 4.89,685 5.291,686 0.576,687 317.48,688 3.258,689 4.844,690 5.746,691 6.683,692 7.608,693 8.556,694 9.493,695 10.447,696 11.393,697 12.35,698 6,701 1,704 1,705 1,715 3,720 3,722 6,736 1,737 1,741 50,743 7,744 1,745 25,747 52,748 18,749 6,750 3,751 3,756 3,757 6,763 3,764 1,766 1,767 1,770 1,772 7,773 11,777 1,782 1,786 1,789 1,790 1,793 27,794 5,796 5,802 3,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 5,868 23,876 4,878 1,880 1,881 3,882 1,893 4,896 1,898 1,901 12.917,902 10.517,903 5.097,904 3.336,907 1.301,908 1.182,909 0.922,910 4.319,911 8.448,912 3.401,913 3.942,914 4.469,915 4.986,916 5.439,917 5.709,918 6.082,919 6.349,920 6.437,921 6.437,922 0.833,923 42,924 8.559,926 3.602,927 0.026,929 7.576,931 16.815,933 14.116,936 2.076,937 47.75,938 0.001,940 1,941 317.82,942 98.497,943 9.373,945 36.145,948 98.497,949 353.965,950 9.373,951 43.268,952 11.976,953 28.429,954 25.145,955 28.434,956 18.534,957 306.049,959 317.82,960 107.87,961 36.145,964 223.651,965 130.314,968 41.576,969 66.294,972 317.82,973 45.518,974 98.497,977 317.82,978 26.8,979 81.07,981 36.145,982 317.82,983 45.518,984 98.497,986 0.597,987 0.384,988 0.208,989 0.095,990 20,991 10,992 0.077,993 4,994 2,995 1.333,996 3.305,997 192.61,998 0.333,999 12,1000 100.042,1005 16.593,1006 5.987,1007 2.522,1009 45.518,1010 6.047,1015 3.177,1018 461.835,1019 29,1024 12.184,1028 -0.272,1031 49.563,1032 56.896,1034 0.255,1035 0.528,1036 0.751,1037 0.838,1038 0.838,1039 0.838,1040 4.723,1041 1.132,1042 5.814,1043 3.209,1044 4.344,1045 4.625,1046 2.519,1047 6.79,1048 4.246,1049 5.941,1050 0.725,1051 7.492,1052 3.058,1053 4.29,1054 4.62,1055 1.961,1056 8.231,1057 4.165,1058 7.293,1059 0.618,1060 9.285,1061 1.802,1062 6.142,1063 6.719,1064 3.567,1065 11.395,1066 5.971,1067 8.682,1068 -0.038,1069 11.15,1070 0.791,1071 6.909,1072 7.488,1073 3.677,1074 13.699,1075 6.731,1076 10.11,1077 -0.293,1078 13.065,1079 -0.083,1080 8.335,1081 9.166,1082 4.963,1083 16.522,1084 8.129,1085 11.565,1086 -0.377,1087 15.015,1088 -0.547,1089 9.436,1090 10.27,1091 5.374,1092 19.123,1093 9.226,1094 13.042,1095 -0.685,1096 16.994,1097 -0.754,1098 10.755,1099 11.803,1100 6.459,1101 21.873,1102 10.527,1103 3.737,1104 -0.909,1105 18.995,1106 -1.877,1107 11.986,1108 13.067,1109 7.029,1110 24.564,1111 11.749,1112 2.815,1113 15.306,1114 21.013,1115 -2.705,1116 13.287,1117 14.544,1118 7.994,1119 27.297,1120 13.035,1121 2.59,1122 8.869,1123 23.045,1124 4.206,1125 14.568,1126 15.889,1127 8.654,1128 30.014,1129 14.302,1130 2.422,1131 8.556,1132 25.087,1133 3.342,1134 15.872,1135 17.342,1136 9.549,1137 32.744,1138 15.59,1139 2.186,1140 8.38,1141 27.139,1142 3.042,1143 17.174,1144 18.729,1145 10.263,1146 35.469,1147 16.875,1148 1.536,1149 6.624,1150 29.196,1151 2.704,1152 18.483,1153 20.172,1154 11.116,1155 38.197,1156 18.166,1157 1.305,1158 4.46,1159 31.259,1160 2.447,1161 19.793,1162 21.582,1163 11.862,1164 40.925,1165 19.458,1166 4956,1167 7178,1168 15.72,1169 31.063,1170 38.477,1171 39.43,1172 42.207,1173 38.17,1174 38.132,1175 43.697,1176 9.303,1177 122.113,1178 36.266,1179 5.797,1180 5.973,1181 7.624,1182 5.797,1183 5.737,1184 7.206,1185 3.912,1186 23.813,1187 5.657,1188 14.424,1189 1.539,1190 1.577,1191 1.688,1192 1.527,1193 1.525,1194 1.748,1195 0.372,1196 4.885,1197 1.451,1198 4.091,1199 4.129,1200 4.038,1201 3.994,1202 7.433,1203 4,1204 3.752,1205 3.806,1206 3.669,1207 3.57,1208 4.833,1209 3.579,1210 3.658,1211 3.718,1212 3.545,1213 3.483,1214 4.447,1215 3.489,1216 3.314,1217 3.407,1218 3.166,1219 3.123,1220 4.245,1221 3.089,1222 3.306,1223 3.399,1224 3.056,1225 3.078,1226 4.089,1227 3.086,1228 3.252,1229 3.345,1230 3.04,1231 3.041,1232 3.9,1233 3.03,1234 3.116,1235 3.144,1236 2.971,1237 2.814,1238 3.892,1239 2.856,1240 2.976,1241 3.093,1242 2.681,1243 2.76,1244 3.833,1245 2.725,1246 0.193,1247 0.159,1248 0.32,1249 0.189,1250 0.149,1251 4.832,1252 0.168,1253 3.973,1254 0.088,1255 8.006,1256 0.612,1257 4.714,1258 0.146,1259 3.737,1260 4.206,1261 2.208,1262 15.306,1263 3.657,1264 1.904,1265 1.885,1266 2.005,1267 2,1268 1.31,1269 1.998,1270 1.656,1271 1.591,1272 1.91,1273 1.893,1274 1.112,1275 1.9,1276 1.629,1277 1.566,1278 1.831,1279 1.836,1280 1.057,1281 1.837,1282 1.532,1283 1.45,1284 1.787,1285 1.749,1286 1.012,1287 1.771,1288 1.351,1289 1.256,1290 1.725,1291 1.584,1292 0.869,1293 1.638,1294 1.231,1295 1.147,1296 1.579,1297 1.505,1298 0.644,1299 1.53,1300 1.015,1301 0.948,1302 1.453,1303 1.318,1304 0.563,1305 1.354,1306 0.976,1307 0.899,1308 1.197,1309 1.29,1310 0.347,1311 1.275,1312 3.932,1314 5.313,1315 3.045,1316 6.901,1317 5.638,1318 8.586,1319 7.921,1320 10.33,1322 10.572,1328 3.536,1330 5.594,1332 0.381,1333 6.438,1334 0.094,1340 28.815,1341 71.997,1342 149.134,1343 211.889,1344 236.418,1345 236.418,1346 236.418,1347 38.38,1348 7.147,1349 36.02,1350 36.02,1351 16,1352 12.837,1353 3,1354 2.322,1355 36.838,1356 74,1357 71,1358 0.259,1359 177.918,1360 312,1361 425.88,1362 10239,1364 16.776,1365 0.729,1366 0.643,1367 16.776,1368 14.796,1369 10.918,1370 0.437,1371 0.339,1372 8.328,1373 10.417,1374 7.943,1375 6.655,1376 10.918,1377 8.464,1378 10.146,1379 0.267,1380 0.18,1381 10.146,1382 6.852,1383 9.173,1384 0.167,1385 0.101,1386 9.173,1387 5.528,1388 8.047,1389 0.106,1390 0.056,1391 8.047,1392 4.266,1393 5.621,1394 0.062,1395 0.029,1396 5.621,1397 2.604,1398 0.395,1399 68.759,1400 0.252,1401 22.058,1402 0.745,1403 126,1404 318.406,1405 139.719,1406 302.588,1407 421.51,1408 284,1409 156,1410 321.656,1411 170.806,1412 324.863,1413 484.95,1414 303,1415 4.398}
{0 CHEMBL612099,1 1.523,2 12.5,3 3.92,4 15.365,5 116.148,6 7.044,7 0.364,8 4.152,9 4.279,10 3.677,11 3.643,12 5.208,13 3.625,14 4.729,15 4.925,16 4.086,17 4.077,18 5.762,19 4.039,20 4.973,21 5.155,22 4.187,23 4.277,24 5.98,25 4.21,26 5.201,27 5.444,28 4.093,29 4.288,30 6.279,31 4.185,32 5.076,33 5.321,34 3.918,35 4.185,36 6.023,37 4.05,38 5.045,39 5.331,40 3.824,41 3.989,42 6.003,43 3.878,44 4.698,45 4.907,46 3.797,47 3.791,48 5.868,49 3.748,50 4.658,51 4.863,52 3.728,53 3.736,54 5.846,55 3.703,56 0.01,57 0.864,58 12.849,59 5.144,60 8.179,61 7.175,62 0.559,63 1.409,64 25.217,65 8.446,66 37.632,67 12.273,68 0.133,69 1.738,70 31.389,71 11.769,72 30.721,73 16.582,74 0.895,75 1.918,76 43.296,77 12.849,78 115.622,79 18.979,80 0.3,81 1.683,82 36.997,83 13.129,84 50.638,85 18.965,86 0.559,87 1.445,88 38.469,89 11.654,90 73.513,91 17.025,92 0.355,93 1.132,94 25.75,95 7.995,96 52.008,97 11.053,98 0.492,99 1.075,100 25.253,101 7.14,102 66.463,103 9.753,104 37,105 49,106 0.249,107 0.571,108 0.761,109 0.858,110 0.866,111 0.866,112 3.44,113 0.924,114 -3.9,115 -3.86,116 -3.66,121 39.7,122 1,123 1,125 1,126 3,127 2,130 1,144 8,145 2,146 2,161 2,176 11,179 5,180 7,183 2,185 1,187 12,192 8,197 2,200 8,205 2,206 9,209 2,211 2,214 3,218 1,219 11,224 1,227 2,231 1,232 10,237 2,243 2,244 12,249 2,255 2,256 5,261 1,264 2,268 1,269 4,272 1,274 2,277 6,281 1436,282 19.808,283 19.808,284 19.808,285 19.808,286 19.808,287 18.136,288 28.318,289 11.299,290 20.256,291 16.191,292 16.191,293 16.191,294 16.191,295 16.191,296 13.534,297 38.404,298 5.311,299 16.866,300 4.335,301 2.37,302 1.208,303 0.617,304 0.569,305 0.569,306 4.129,311 1,312 1,313 819,314 4.301,317 129.296,318 182.867,320 104.225,321 110.379,324 154.305,325 2,326 28.473,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 65,338 375,339 4.832,340 3.974,341 8.006,342 4.714,343 3.737,344 4.206,345 2.222,346 15.306,347 3.657,348 4.134,349 3.904,350 6.276,351 3.856,352 2.917,353 3.455,354 1.66,355 9.126,356 2.724,357 3.928,358 3.416,359 6.203,360 3.596,361 2.631,362 3.382,363 0.966,364 8.788,365 2.539,366 3.876,367 2.822,368 6.168,369 3.502,370 2.511,371 3.198,372 0.693,373 8.444,374 2.484,375 3.568,376 2.743,377 5.382,378 3.363,379 2.427,380 2.772,381 0.593,382 7.016,383 2.262,384 3.414,385 2.722,386 5.322,387 3.176,388 2.242,389 2.485,390 0.408,391 6.801,392 2.081,393 3.224,394 2.509,395 4.821,396 2.818,397 1.835,398 2.347,399 0.066,400 4.982,401 1.781,402 2.912,403 1.75,404 4.694,405 2.484,406 1.506,407 2.071,409 4.357,410 1.477,411 2.617,412 1.678,413 4.215,414 2.413,415 1.448,416 1.631,418 3.139,419 1.384,420 2.519,421 1.637,422 3.729,423 2.128,424 1.134,425 1.524,427 3.06,428 1.126,429 2.5,430 1.171,431 3.667,432 2,433 1,434 1.5,436 2.136,437 1,438 1.999,439 1.056,440 3.434,441 1.766,442 0.828,443 0.911,445 2.025,446 0.77,447 1.782,448 1,449 3.247,450 1.675,451 0.709,452 0.75,454 1.746,455 0.681,456 1.687,457 0.925,458 3.087,459 1.309,460 0.31,461 0.381,463 0.692,464 0.303,465 1.228,466 0.681,467 2.893,468 0.846,469 -0.12,470 -0.146,472 -0.301,473 -0.114,474 14.1,475 0.47,476 0.95,477 0.032,478 36.25,479 1.208,480 16,481 0.533,482 20.25,483 0.675,484 27.887,485 0.93,486 33.3,487 0.574,488 29.663,489 0.989,490 7.238,491 0.241,492 7.07,493 0.236,494 0.189,495 0.035,496 0.333,501 0.765,502 1.565,503 0.819,504 1.238,505 0.571,506 1.062,507 0.653,508 0.776,509 0.807,510 0.735,511 0.449,512 0.767,513 0.914,514 1.454,515 1.021,516 1.338,517 0.726,518 1.219,519 1.236,520 0.889,521 1.158,522 0.908,523 1.084,524 0.993,525 0.839,526 1.212,527 1.043,528 1.268,529 0.851,530 1.205,531 1.271,532 0.756,533 0.8,534 0.73,535 1.151,536 0.706,537 1.594,538 1.114,539 1.024,540 1.068,541 1.66,542 0.983,543 2.08,544 0.919,545 1.194,546 0.866,547 2.367,548 0.897,549 7,550 0.126,551 4.889,552 3.708,553 1.717,554 1.069,555 0.737,556 0.512,557 0.443,558 0.261,559 12488,560 29069,561 2.04,562 48.3,563 3,564 21,565 1,567 1,569 2,572 1.725,573 1.865,574 3.557,575 -0.349,577 1,582 88.36,583 1.523,584 3.488,585 4.65,586 5.241,587 5.289,588 5.289,589 3.036,590 4.707,591 4.879,592 3.763,593 1636.83,594 8.49,595 23033.9,597 1,599 1,600 339.763,601 1.679,602 4.809,603 0.212,604 0.005,605 0.1,606 0.071,607 0.039,608 0.03,609 0.022,610 0.016,611 0.014,612 0.009,613 0.518,614 0.33,615 1,616 0.628,617 155.356,618 -0.017,619 -0.308,620 0.071,621 -0.124,622 -0.041,623 -0.032,624 0.287,625 0.404,626 0.152,627 0.262,628 0.158,629 0.201,630 -0.045,631 -0.35,632 -0.09,633 -0.278,634 0.017,635 -0.206,636 -0.017,637 0.114,638 -0.141,639 0.026,640 0.087,641 -0.056,642 0.024,643 -0.255,644 -0.081,645 -0.26,646 -0.008,647 -0.198,648 -0.021,649 0.08,650 0.246,651 0.201,652 0.001,653 0.256,654 -0.067,655 -0.138,656 0.019,657 -0.105,658 -0.043,659 -0.043,660 -0.257,661 0.068,662 -0.113,663 0.06,664 -0.245,665 0.002,666 2.378,667 5.514,668 0.6,669 29.516,670 1,671 1.131,672 2.671,673 7.132,674 0.647,675 3.526,676 3.912,677 4.234,678 4.522,679 4.71,680 4.779,681 4.956,682 5.043,683 5.063,684 5.081,685 7.302,686 0.613,687 408.55,688 3.526,689 5.106,690 5.989,691 6.905,692 7.811,693 8.738,694 9.658,695 10.594,696 11.525,697 12.467,698 6.9,701 1,704 1,705 2,715 8,720 4,722 12,736 1,737 1,741 58,743 14,744 2,745 33,747 61,748 23,749 12,750 4,751 8,756 4,757 7,761 1,763 1,764 1,766 1,767 1,770 1,772 14,773 9,777 2,782 2,786 2,790 1,793 28,794 7,795 1,796 7,802 4,805 1,808 0.5,809 3,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 4,868 30,876 3,877 1,878 1,880 1,881 3,882 1,893 5.2,896 2,898 1,901 16.083,902 11.6,903 6.458,904 3.351,907 2.005,908 1.257,909 0.953,910 5.579,911 9.793,912 3.738,913 4.29,914 4.796,915 5.288,916 5.743,917 5.887,918 6.234,919 6.498,920 6.635,921 6.674,922 1,923 52,924 11.155,926 4.794,927 0.026,929 7.736,931 21.387,933 17.881,936 2.236,937 67.083,939 1,940 1,941 317.82,942 141.98,943 27.384,945 61.29,948 141.98,949 379.109,950 27.384,951 34.014,952 27.881,953 75.81,954 50.29,955 31.62,956 22.809,957 306.049,959 317.82,960 169.364,961 61.29,964 294.278,965 84.832,968 39.831,969 129.533,972 317.82,973 88.673,974 141.98,977 317.82,978 32.156,979 119.197,980 18.011,981 61.29,982 317.82,983 88.673,984 141.98,986 0.599,987 0.364,988 0.191,989 0.097,990 25,991 12,992 0.066,993 4,994 2,995 1.222,996 4.083,997 271.341,998 0.222,999 18,1000 143.207,1005 20.853,1006 8.026,1007 3.745,1009 88.673,1010 15.255,1015 3.745,1017 18.011,1018 548.473,1019 41,1024 24.83,1028 -1.216,1031 57.992,1032 65.604,1034 0.26,1035 0.595,1036 0.794,1037 0.895,1038 0.903,1039 0.903,1040 5.03,1041 1.506,1042 6.033,1043 4.982,1044 4.595,1045 4.977,1046 2.859,1047 6.959,1048 4.517,1049 6.243,1050 1.448,1051 7.676,1052 4.357,1053 4.443,1054 4.844,1055 2.242,1056 8.304,1057 4.333,1058 7.574,1059 1.134,1060 9.438,1061 3.139,1062 6.333,1063 7.063,1064 3.841,1065 11.467,1066 6.186,1067 8.941,1068 1,1069 11.276,1070 3.06,1071 7.022,1072 7.696,1073 3.913,1074 13.729,1075 6.857,1076 10.346,1077 0.828,1078 13.167,1079 2.136,1080 8.463,1081 9.461,1082 5.154,1083 16.548,1084 8.271,1085 11.777,1086 0.709,1087 15.098,1088 2.025,1089 9.515,1090 10.448,1091 5.546,1092 19.135,1093 9.311,1094 13.231,1095 0.31,1096 17.061,1097 1.746,1098 10.833,1099 12.034,1100 6.598,1101 21.881,1102 10.609,1103 3.737,1104 -0.12,1105 19.048,1106 0.692,1107 12.038,1108 13.211,1109 7.161,1110 24.568,1111 11.802,1112 2.917,1113 15.306,1114 21.055,1115 -0.301,1116 13.334,1117 14.714,1118 8.107,1119 27.3,1120 13.08,1121 2.631,1122 9.126,1123 23.079,1124 4.206,1125 14.602,1126 15.999,1127 8.768,1128 30.016,1129 14.333,1130 2.511,1131 8.788,1132 25.115,1133 3.455,1134 15.901,1135 17.462,1136 9.653,1137 32.745,1138 15.615,1139 2.427,1140 8.444,1141 27.16,1142 3.382,1143 17.195,1144 18.81,1145 10.371,1146 35.469,1147 16.893,1148 2.242,1149 7.016,1150 29.214,1151 3.198,1152 18.501,1153 20.255,1154 11.221,1155 38.198,1156 18.18,1157 1.835,1158 6.801,1159 31.273,1160 2.772,1161 19.807,1162 21.64,1163 11.972,1164 40.925,1165 19.468,1166 11856,1167 18262,1168 21.383,1169 37.523,1170 51.197,1171 52.811,1172 53.352,1173 50.531,1174 50.47,1175 61.226,1176 13.217,1177 155.234,1178 48.541,1179 5.797,1180 5.974,1181 7.808,1182 5.812,1183 5.737,1184 7.206,1185 3.927,1186 23.813,1187 5.657,1188 17.188,1189 1.551,1190 1.6,1191 1.617,1192 1.531,1193 1.529,1194 1.855,1195 0.401,1196 4.704,1197 1.471,1198 4.093,1199 4.131,1200 4.04,1201 3.996,1202 7.447,1203 4.002,1204 3.917,1205 3.953,1206 3.844,1207 3.85,1208 7.415,1209 3.843,1210 3.729,1211 3.767,1212 3.67,1213 3.566,1214 4.835,1215 3.573,1216 3.631,1217 3.684,1218 3.552,1219 3.369,1220 4.753,1221 3.419,1222 3.329,1223 3.405,1224 3.222,1225 3.09,1226 4.445,1227 3.104,1228 3.269,1229 3.359,1230 3.098,1231 3.05,1232 4.171,1233 3.046,1234 3.235,1235 3.329,1236 3.039,1237 3.03,1238 4.071,1239 3.021,1240 2.98,1241 3.093,1242 2.859,1243 2.762,1244 3.924,1245 2.739,1246 0.146,1247 0.12,1248 0.243,1249 0.143,1250 0.113,1251 4.832,1252 0.127,1253 3.974,1254 0.067,1255 8.006,1256 0.464,1257 4.714,1258 0.111,1259 3.737,1260 4.206,1261 2.222,1262 15.306,1263 3.657,1264 1.911,1265 1.885,1266 2.04,1267 2.012,1268 1.31,1269 2.019,1270 1.903,1271 1.879,1272 2.004,1273 1.991,1274 1.151,1275 1.995,1276 1.633,1277 1.578,1278 1.833,1279 1.837,1280 1.058,1281 1.837,1282 1.542,1283 1.475,1284 1.788,1285 1.824,1286 1.013,1287 1.797,1288 1.508,1289 1.44,1290 1.709,1291 1.745,1292 0.751,1293 1.758,1294 1.249,1295 1.178,1296 1.578,1297 1.524,1298 0.656,1299 1.534,1300 1.212,1301 1.117,1302 1.527,1303 1.473,1304 0.642,1305 1.504,1306 1.014,1307 0.899,1308 1.453,1309 1.291,1310 0.563,1311 1.354,1312 4.205,1314 5.572,1315 3.045,1316 7.135,1317 5.638,1318 8.79,1319 7.921,1320 10.503,1322 7.917,1328 2.416,1329 2.728,1330 5.524,1332 0.296,1333 5.601,1334 -0.014,1340 35.552,1341 88.36,1342 202.297,1343 269.724,1344 303.988,1345 306.743,1346 306.743,1347 56.828,1348 7.787,1349 65.12,1350 65.12,1351 22,1352 12.964,1353 3.907,1354 3.17,1355 47.345,1356 133,1357 138,1358 0.174,1359 217.567,1360 384.47,1361 522.625,1362 26987,1364 21.466,1365 0.716,1366 0.596,1367 21.466,1368 17.884,1369 14.308,1370 0.434,1371 0.308,1372 9.989,1373 13.691,1374 9.6,1375 8.015,1376 14.308,1377 10.16,1378 13.487,1379 0.275,1380 0.171,1381 13.487,1382 8.383,1383 11.869,1384 0.175,1385 0.094,1386 11.869,1387 6.372,1388 9.774,1389 0.107,1390 0.052,1391 9.774,1392 4.763,1393 7.469,1394 0.068,1395 0.029,1396 7.469,1397 3.141,1398 0.278,1399 90.179,1400 0.216,1401 28.561,1402 0.464,1403 164,1404 456.475,1405 181.821,1406 437.057,1407 598.04,1408 408,1409 199,1410 444.334,1411 217.798,1412 451.687,1413 665.32,1414 420,1415 5.201}
{0 CHEMBL612100,1 1.455,2 11.038,3 3.934,4 15.476,5 103.009,6 6.892,7 0.414,8 4.025,9 4.151,10 3.539,11 3.548,12 5.04,13 3.518,14 4.603,15 4.795,16 3.945,17 3.986,18 5.592,19 3.937,20 4.859,21 5.05,22 4.011,23 4.182,24 5.758,25 4.093,26 5.055,27 5.313,28 3.893,29 4.188,30 5.914,31 4.06,32 4.952,33 5.204,34 3.731,35 4.049,36 5.872,37 3.897,38 4.875,39 5.176,40 3.541,41 3.782,42 5.744,43 3.644,44 4.418,45 4.638,46 3.468,47 3.523,48 5.49,49 3.46,50 4.308,51 4.505,52 3.367,53 3.49,54 5.45,55 3.429,56 0.032,57 0.747,58 11.558,59 4.727,60 8.428,61 6.551,62 0.407,63 1.25,64 22.239,65 7.796,66 33.611,67 11.242,68 0.171,69 1.555,70 28.39,71 10.892,72 25.658,73 15.378,74 0.392,75 1.737,76 36.614,77 12.078,78 45.352,79 17.822,80 0.275,81 1.498,82 32.736,83 11.898,84 45.025,85 17.06,86 0.462,87 1.212,88 32.357,89 10.355,90 55.122,91 14.812,92 0.317,93 0.849,94 19.673,95 6.444,96 35.437,97 8.723,98 0.368,99 0.812,100 17.525,101 5.319,102 41.964,103 7.237,104 17,105 43,106 0.245,107 0.573,108 0.768,109 0.854,110 0.863,111 0.863,112 3.304,113 0.937,114 -4.26,115 -4.2,116 -3.97,121 41.2,122 1,123 1,125 1,126 2,127 2,130 1,144 8,145 2,146 2,161 1,176 11,179 2,180 7,183 2,185 1,187 12,192 8,197 2,200 8,206 7,211 4,214 3,218 1,219 9,224 3,227 2,231 1,232 5,237 1,239 2,243 1,244 4,247 1,249 2,251 6,255 1,259 1,264 9,269 1,277 10,281 964,282 17.394,283 17.394,284 17.394,285 17.394,286 17.394,287 15.827,288 25.022,289 10.039,290 17.756,291 14.283,292 14.283,293 14.283,294 14.283,295 14.283,296 11.872,297 35.492,298 4.761,299 14.854,300 4.217,301 2.275,302 1.118,303 0.608,304 0.554,305 0.554,306 3.997,310 1,311 1,312 1,313 633,314 3.536,317 102.025,318 144.9,320 82.326,321 87.547,324 122.334,325 1.654,326 17.903,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 55.5,338 287,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.187,346 15.306,347 3.657,348 3.989,349 3.666,350 6.211,351 3.646,352 2.696,353 3.449,354 0.966,355 8.829,356 2.566,357 3.899,358 2.825,359 6.169,360 3.53,361 2.544,362 3.316,363 0.693,364 8.458,365 2.511,366 3.668,367 2.744,368 5.466,369 3.385,370 2.442,371 2.88,372 0.599,373 7.244,374 2.285,375 3.471,376 2.721,377 5.333,378 3.283,379 2.345,380 2.598,381 0.232,382 6.929,383 2.182,384 3.3,385 2.501,386 4.847,387 2.953,388 1.989,389 2.423,391 5.4,392 1.9,393 2.911,394 1.747,395 4.684,396 2.486,397 1.507,398 2.074,400 4.371,401 1.478,402 2.616,403 1.646,404 4.214,405 2.412,406 1.449,407 1.63,409 3.123,410 1.384,411 2.518,412 1.171,413 3.724,414 2.128,415 1.133,416 1.523,418 3.06,419 1.126,420 2.5,421 1.071,422 3.624,423 2,424 1,425 1.5,427 2.136,428 1,429 1.811,430 1,431 3.247,432 1.701,433 0.739,434 0.773,436 1.843,437 0.708,438 1.763,439 0.918,440 3.11,441 1.519,442 0.571,443 0.652,445 1.324,446 0.536,447 1.23,448 0.672,449 3.084,450 0.869,451 -0.08,452 -0.096,454 -0.207,455 -0.075,456 0.792,457 -0.003,458 2.695,459 0.64,460 -0.3,461 -0.31,463 -0.744,464 -0.281,465 0.762,466 -0.04,467 2.519,468 0.41,469 -0.579,470 -0.703,472 -1.317,473 -0.563,474 12.367,475 0.476,476 0.771,477 0.03,478 31.75,479 1.221,480 14.5,481 0.558,482 17.25,483 0.663,484 23.057,485 0.887,486 28.433,487 0.558,488 23.002,489 0.885,490 6.21,491 0.239,492 6.277,493 0.241,494 0.148,495 0.04,496 0.307,501 0.812,502 1.438,503 0.842,504 1.17,505 0.625,506 1.03,507 0.756,508 0.859,509 0.851,510 0.792,511 0.429,512 0.809,513 0.956,514 1.373,515 1.073,516 1.262,517 0.725,518 1.197,519 1.161,520 0.969,521 1.103,522 0.977,523 0.872,524 1.011,525 0.916,526 1.204,527 1.08,528 1.275,529 1.025,530 1.213,531 1.447,532 0.667,533 0.791,534 0.684,535 1.346,536 0.671,537 1.844,538 0.953,539 0.996,540 0.922,541 1.934,542 0.883,543 2.26,544 0.833,545 1.337,546 0.828,547 3.095,548 0.953,549 6,550 0.156,551 3.778,552 3.208,553 1.477,554 0.736,555 0.554,556 0.352,557 0.193,558 0.172,559 8444,560 18298,561 2.092,562 49,563 3,564 18,565 1,567 1,569 2,572 1.687,573 1.938,574 3.376,575 -0.37,577 1,582 74.204,583 1.455,584 3.398,585 4.554,586 5.064,587 5.118,588 5.118,589 2.83,590 4.393,591 4.671,592 3.568,593 1159.71,594 8.073,595 14491.3,597 1,599 1,600 289.294,601 1.619,602 4.616,603 0.207,604 0.009,605 0.088,606 0.073,607 0.04,608 0.025,609 0.022,610 0.015,611 0.009,612 0.009,613 0.496,614 0.33,615 1,616 0.596,617 127.603,618 -0.003,619 -0.221,620 0.075,621 -0.08,622 -0.04,623 -0.007,624 0.254,625 0.304,626 0.12,627 0.204,628 0.219,629 0.16,630 -0.066,631 -0.295,632 -0.128,633 -0.225,634 -0.032,635 -0.195,636 -0.145,637 0.039,638 -0.113,639 -0.03,640 -0.014,641 -0.055,642 0.05,643 -0.259,644 -0.105,645 -0.289,646 0.014,647 -0.226,648 0.008,649 0.146,650 0.265,651 0.24,652 0.007,653 0.278,654 -0.023,655 -0.017,656 0.069,657 0.036,658 -0.021,659 0.051,660 -0.29,661 0.213,662 -0.261,663 0.104,664 -0.366,665 -0.055,666 2.092,667 5.158,668 0.692,669 23.32,670 0.994,671 1.127,672 3.034,673 9.203,674 0.653,675 3.401,676 3.784,677 4.111,678 4.443,679 4.644,680 4.7,681 4.883,682 4.949,683 4.927,684 4.949,685 6.46,686 0.614,687 351.49,688 3.401,689 4.977,690 5.861,691 6.783,692 7.693,693 8.628,694 9.553,695 10.497,696 11.434,697 12.383,698 5.9,701 1,704 1,705 1,715 8,720 4,722 12,736 1,737 1,741 51,743 13,744 2,745 29,747 54,748 21,749 12,750 4,751 8,756 4,757 7,763 1,764 1,766 1,767 1,770 1,772 13,773 8,777 1,782 1,786 1,790 1,793 25,794 5,795 1,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 3,868 26,876 3,877 1,878 1,880 1,881 2,882 1,893 3.9,896 1,898 1,901 13.417,902 9.983,903 5.569,904 3.01,907 2.088,908 1.275,909 0.967,910 4.412,911 9.691,912 3.611,913 4.174,914 4.691,915 5.226,916 5.711,917 5.837,918 6.181,919 6.427,920 6.527,921 6.595,922 1,923 44,924 9.642,926 4.134,927 0.026,929 7.593,931 18.82,933 15.993,936 2.093,937 54.417,939 1,940 1,941 282.506,942 129.308,943 24.259,945 36.145,948 129.308,949 318.651,950 24.259,951 25.618,952 24.757,953 75.81,954 25.145,955 31.62,956 18.534,957 270.735,959 282.506,960 153.567,961 36.145,964 258.964,965 59.687,968 36.706,969 116.861,972 282.506,973 60.404,974 129.308,977 282.506,978 27.88,979 107.677,980 18.011,981 36.145,982 282.506,983 60.404,984 129.308,986 0.595,987 0.357,988 0.199,989 0.105,990 23,991 10,992 0.074,993 4,994 2,995 1.222,996 3.794,997 225.778,998 0.222,999 18,1000 118.211,1005 17.379,1006 6.6,1007 3.009,1009 60.404,1010 15.787,1015 4.132,1017 18.011,1018 472.218,1019 36,1024 12.158,1028 -0.426,1031 50.68,1032 57.481,1034 0.256,1035 0.599,1036 0.803,1037 0.893,1038 0.902,1039 0.902,1040 4.898,1041 1.449,1042 5.9,1043 4.371,1044 4.466,1045 4.86,1046 2.511,1047 6.832,1048 4.391,1049 6.108,1050 1.133,1051 7.54,1052 3.123,1053 4.29,1054 4.691,1055 1.905,1056 8.207,1057 4.19,1058 7.438,1059 1,1060 9.302,1061 3.06,1062 6.205,1063 6.959,1064 3.541,1065 11.381,1066 6.069,1067 8.806,1068 0.739,1069 11.146,1070 2.136,1071 6.889,1072 7.564,1073 3.612,1074 13.68,1075 6.741,1076 10.213,1077 0.571,1078 13.047,1079 1.843,1080 8.349,1081 9.371,1082 4.916,1083 16.509,1084 8.177,1085 11.649,1086 -0.08,1087 14.991,1088 1.324,1089 9.412,1090 10.348,1091 5.295,1092 19.114,1093 9.23,1094 13.109,1095 -0.3,1096 16.967,1097 -0.207,1098 10.746,1099 11.961,1100 6.392,1101 21.866,1102 10.545,1103 3.737,1104 -0.579,1105 18.968,1106 -0.744,1107 11.965,1108 13.138,1109 6.935,1110 24.56,1111 11.75,1112 2.696,1113 15.306,1114 20.989,1115 -1.317,1116 13.273,1117 14.658,1118 7.906,1119 27.295,1120 13.04,1121 2.544,1122 8.829,1123 23.024,1124 4.206,1125 14.552,1126 15.947,1127 8.544,1128 30.013,1129 14.302,1130 2.442,1131 8.458,1132 25.07,1133 3.449,1134 15.861,1135 17.422,1136 9.44,1137 32.743,1138 15.592,1139 2.345,1140 7.244,1141 27.124,1142 3.316,1143 17.163,1144 18.775,1145 10.136,1146 35.468,1147 16.874,1148 1.989,1149 6.929,1150 29.184,1151 2.88,1152 18.475,1153 20.227,1154 10.987,1155 38.197,1156 18.166,1157 1.507,1158 5.4,1159 31.25,1160 2.598,1161 19.786,1162 21.616,1163 11.717,1164 40.924,1165 19.457,1166 7972,1167 11865,1168 19.186,1169 33.302,1170 44.767,1171 45.529,1172 46.331,1173 44.341,1174 44.307,1175 54.049,1176 9.353,1177 136.044,1178 42.663,1179 5.797,1180 5.973,1181 7.808,1182 5.801,1183 5.737,1184 7.206,1185 3.89,1186 23.813,1187 5.657,1188 12.689,1189 1.544,1190 1.57,1191 1.598,1192 1.529,1193 1.528,1194 1.864,1195 0.323,1196 4.691,1197 1.471,1198 4.092,1199 4.13,1200 4.039,1201 3.996,1202 7.435,1203 4.001,1204 3.913,1205 3.947,1206 3.838,1207 3.848,1208 4.839,1209 3.841,1210 3.705,1211 3.746,1212 3.624,1213 3.564,1214 4.749,1215 3.568,1216 3.475,1217 3.524,1218 3.4,1219 3.203,1220 4.449,1221 3.242,1222 3.288,1223 3.384,1224 3.119,1225 3.065,1226 4.166,1227 3.064,1228 3.242,1229 3.337,1230 3.044,1231 3.038,1232 3.992,1233 3.027,1234 3.02,1235 3.093,1236 2.894,1237 2.802,1238 3.896,1239 2.827,1240 2.976,1241 3.049,1242 2.687,1243 2.76,1244 3.81,1245 2.725,1246 0.167,1247 0.137,1248 0.276,1249 0.163,1250 0.129,1251 4.832,1252 0.145,1253 3.973,1254 0.075,1255 8.006,1256 0.528,1257 4.714,1258 0.126,1259 3.737,1260 4.206,1261 2.187,1262 15.306,1263 3.657,1264 1.913,1265 1.889,1266 2.04,1267 2.013,1268 1.31,1269 2.02,1270 1.899,1271 1.874,1272 2.003,1273 1.981,1274 1.15,1275 1.99,1276 1.633,1277 1.577,1278 1.832,1279 1.836,1280 1.057,1281 1.837,1282 1.535,1283 1.454,1284 1.787,1285 1.758,1286 1.012,1287 1.776,1288 1.356,1289 1.303,1290 1.588,1291 1.652,1292 0.685,1293 1.624,1294 1.219,1295 1.126,1296 1.555,1297 1.48,1298 0.643,1299 1.515,1300 1.014,1301 0.908,1302 1.453,1303 1.291,1304 0.563,1305 1.354,1306 0.932,1307 0.898,1308 1.181,1309 1.201,1310 0.347,1311 1.177,1312 4.078,1314 5.442,1315 3.045,1316 7.006,1317 5.638,1318 8.667,1319 7.921,1320 10.39,1322 6.624,1328 2.64,1329 2.807,1330 5.535,1332 0.361,1333 4.731,1334 0.068,1340 31.289,1341 74.204,1342 173.294,1343 232.274,1344 258.274,1345 261.029,1346 261.029,1347 38.17,1348 7.603,1349 44.81,1350 44.81,1351 22,1352 12.875,1353 3.807,1354 3,1355 38.304,1356 101,1357 106,1358 0.187,1359 190.52,1360 332.72,1361 456.628,1362 20869,1364 18.311,1365 0.704,1366 0.597,1367 18.311,1368 15.528,1369 12.487,1370 0.431,1371 0.312,1372 8.934,1373 12.03,1374 8.603,1375 7.163,1376 12.487,1377 9.061,1378 11.778,1379 0.274,1380 0.175,1381 11.778,1382 7.54,1383 10.142,1384 0.169,1385 0.097,1386 10.142,1387 5.792,1388 8.918,1389 0.106,1390 0.054,1391 8.918,1392 4.532,1393 7.009,1394 0.068,1395 0.029,1396 7.009,1397 3.009,1398 0.295,1399 78.052,1400 0.228,1401 25.204,1402 0.505,1403 144,1404 363.094,1405 157.025,1406 351.413,1407 488.64,1408 330,1409 175,1410 368.529,1411 188.475,1412 375.808,1413 554.33,1414 351,1415 6.337}
{0 CHEMBL61221,1 1.172,2 10.217,3 6.529,4 42.625,5 99.949,6 5.859,7 0.44,8 4.008,9 4.155,10 3.374,11 3.577,12 4.846,13 3.493,14 4.61,15 4.831,16 3.685,17 3.988,18 5.35,19 3.861,20 4.905,21 5.18,22 3.771,23 4.125,24 5.6,25 3.97,26 4.904,27 5.185,28 3.709,29 4.086,30 5.604,31 3.924,32 4.854,33 5.127,34 3.615,35 4.065,36 5.533,37 3.896,38 4.854,39 5.128,40 3.505,41 4.06,42 5.485,43 3.858,44 4.87,45 5.17,46 3.333,47 3.987,48 5.452,49 3.755,50 4.779,51 5.098,52 3.13,53 3.844,54 5.312,55 3.592,56 0.066,57 0.738,58 13.169,59 5.503,60 7.701,61 8.02,62 0.125,63 1.23,64 23.162,65 9.355,66 13.934,67 13.806,68 0.187,69 1.542,70 30.287,71 11.512,72 21.342,73 17.368,74 0.237,75 1.535,76 30.365,77 11.029,78 24.097,79 16.843,80 0.204,81 1.462,82 28.898,83 10.682,84 20.067,85 16.24,86 0.157,87 1.425,88 28.355,89 11.62,90 17.498,91 17.052,92 0.162,93 1.383,94 28.242,95 11.456,96 17.987,97 16.871,98 0.14,99 1.216,100 25.307,101 10.444,102 15.364,103 15.293,104 12,105 33,106 0.198,107 0.472,108 0.699,109 0.831,110 0.874,111 0.874,112 3.188,113 1.134,114 -5.37,115 -5.25,116 -4.91,121 39.6,122 2,123 9,127 1,144 3,145 3,146 1,148 2,176 14,180 4,185 3,187 15,192 4,197 3,200 10,206 3,209 1,211 5,214 11,224 3,227 13,232 1,237 2,239 16,244 1,249 1,251 14,256 1,264 12,269 1,277 11,281 838,282 15.974,283 15.974,284 15.974,285 15.974,286 15.974,287 14.662,288 14.208,289 9.994,290 16.086,291 12.368,292 12.368,293 12.368,294 12.368,295 12.368,296 10.274,297 13.878,298 4.771,299 12.558,300 4.556,301 2.932,302 1.591,303 0.812,304 0.557,305 0.557,306 3.877,312 1,313 502,314 3.162,318 140.178,322 160.174,325 1.357,326 8.737,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 47,338 235,339 4.651,340 3.367,341 6.833,342 4.215,343 3.235,344 4.582,345 0.4,346 11.364,347 3.171,348 3.99,349 2.761,350 6.004,351 3.604,352 2.61,353 3.534,355 8.477,356 2.593,357 3.584,358 2.462,359 5.427,360 3.225,361 2.252,362 2.961,364 6.886,365 2.195,366 3.365,367 2.162,368 4.899,369 2.961,370 1.986,371 2.699,373 5.573,374 1.93,375 2.868,376 1.888,377 4.121,378 2.836,379 1.842,380 1.878,382 3.734,383 1.829,384 2.671,385 1.636,386 3.974,387 2.475,388 1.493,389 1.716,391 3.396,392 1.464,393 2.495,394 1.432,395 3.774,396 2.409,397 1.414,398 1.495,400 3.186,401 1.406,402 2.454,403 1.419,404 3.591,405 2.249,406 1.256,407 1.453,409 2.898,410 1.247,411 2.087,412 1.142,413 3.334,414 2.007,415 1.029,416 1.069,418 2.212,419 1.005,420 1.787,421 0.76,422 2.979,423 1.657,424 0.669,425 0.728,427 1.309,428 0.66,429 1.374,430 0.272,431 2.743,432 1.167,433 0.196,434 0.217,436 0.388,437 0.19,438 1.149,439 0.022,440 2.541,441 0.84,442 -0.134,443 -0.16,445 -0.312,446 -0.13,447 0.988,448 -0.079,449 2.344,450 0.758,451 -0.229,452 -0.275,454 -0.51,455 -0.226,456 0.658,457 -0.479,458 2.19,459 0.399,460 -0.584,461 -0.654,463 -1.253,464 -0.574,465 0.384,466 -0.598,467 2,468 0.234,469 -0.751,470 -0.85,472 -1.768,473 -0.738,474 11.3,475 0.491,476 0.38,477 0.017,478 24,479 1.043,480 10.5,481 0.457,482 13.5,483 0.587,484 24.089,485 1.047,486 25.9,487 0.489,488 13.139,489 0.571,490 3.711,491 0.161,492 7.581,493 0.33,494 0.088,496 0.265,501 1.025,502 1.284,503 1.069,504 1.172,505 0.994,506 1.132,507 0.994,508 1.224,509 1.029,510 1.121,511 0.783,512 1.085,513 1.126,514 1.083,515 0.913,516 0.954,517 1.009,518 0.927,519 1.434,520 1.034,521 1.001,522 0.946,523 1.19,524 0.95,525 1.738,526 0.972,527 1.14,528 0.969,529 1.491,530 1.013,531 1.022,532 1.109,533 1.143,534 1.147,535 1.076,536 1.151,537 1.019,538 1.018,539 1.095,540 1.073,541 1.046,542 1.085,543 0.83,544 0.92,545 0.994,546 0.988,547 0.911,548 0.998,549 3,550 0.078,551 2,552 1.375,553 1.311,554 0.521,555 0.422,556 0.208,557 0.143,558 0.097,559 5465,560 8282,561 2.093,562 56.6,563 20,564 5,567 1,568 2,569 2,572 1.659,573 2,574 3.246,575 -0.455,582 62.134,583 1.172,584 2.796,585 4.137,586 4.916,587 5.171,588 5.171,589 2.67,590 4.35,591 4.482,592 3.419,593 865.117,594 7.736,595 9824.97,600 303.58,601 1.214,602 4.473,603 0.12,604 0.007,605 0.061,606 0.039,607 0.041,608 0.018,609 0.017,610 0.01,611 0.009,612 0.007,613 0.329,614 0.5,615 1,616 1.88,617 107.564,618 0.043,619 -0.031,620 0.053,621 0.018,622 0.064,623 0.033,624 0.064,625 -0.105,626 0.025,627 -0.038,628 0.189,629 -0.014,630 0.098,631 -0.048,632 0.105,633 0.038,634 0.136,635 0.066,636 0.076,637 0.014,638 0.03,639 0.016,640 0.078,641 0.02,642 -0.236,643 0.093,644 -0.103,645 0.006,646 -0.241,647 -0.033,648 -0.112,649 -0.097,650 -0.15,651 -0.133,652 -0.162,653 -0.141,654 -0.115,655 -0.055,656 -0.127,657 -0.097,658 -0.148,659 -0.11,660 -0.059,661 -0.003,662 -0.053,663 -0.03,664 -0.085,665 -0.039,666 0.501,667 1.966,668 0.609,669 21.274,670 0.973,671 1.128,672 4.141,673 17.15,674 0.635,675 3.258,676 3.526,677 3.807,678 4.111,679 4.407,680 4.511,681 4.635,682 4.754,683 4.796,684 4.635,685 5.802,686 0.574,687 310.53,688 3.258,689 4.762,690 5.602,691 6.472,692 7.345,693 8.235,694 9.124,695 10.024,696 10.922,697 11.827,698 3.8,703 1,708 1,714 2,715 3,716 1,720 4,722 11,734 1,741 53,743 11,744 1,745 25,747 55,748 21,749 9,750 3,751 3,756 3,757 6,763 2,767 4,770 9,772 9,773 12,793 30,794 2,795 1,796 2,802 2,808 0.333,822 1,829 3,833 2,859 1,864 2,868 23,876 10,877 1,901 11.5,902 9.95,903 5.278,904 3.982,907 2.424,908 1.34,909 0.977,910 5.669,911 9.549,912 3.45,913 4.016,914 4.635,915 5.279,916 5.918,917 6.297,918 6.67,919 7.043,920 7.321,921 7.167,922 0.857,923 35,924 8.577,926 3.507,927 0.026,929 7.261,931 17.558,933 14.715,936 1.761,937 40.5,938 0.002,941 341.362,942 87.597,943 34.796,948 87.597,949 341.362,950 34.796,951 17.65,952 24.916,953 28.429,954 34.796,955 16.602,957 341.362,959 341.362,960 122.394,964 317.82,965 23.542,968 47.468,969 40.13,970 34.796,972 341.362,973 34.796,974 87.597,977 341.362,978 41.518,979 46.079,980 18.011,981 16.786,982 341.362,983 34.796,984 87.597,986 0.554,987 0.319,988 0.183,989 0.108,990 15,991 6,992 0.127,993 7,994 2,995 1.286,996 3.572,997 179.849,998 0.286,999 14,1000 102.042,1005 16.455,1006 7.923,1007 3.926,1008 2.476,1009 34.796,1010 6.703,1011 4.966,1015 5.496,1017 18.011,1018 463.756,1019 30.5,1031 51.574,1032 59.809,1034 0.205,1035 0.488,1036 0.722,1037 0.858,1038 0.903,1039 0.903,1040 4.661,1041 1.256,1042 5.549,1043 3.186,1044 4.205,1045 4.7,1046 0.278,1047 6.347,1048 4.172,1049 5.829,1050 1.029,1051 7.086,1052 2.898,1053 3.611,1054 4.559,1056 7.248,1057 3.561,1058 7.128,1059 0.669,1060 8.736,1061 2.212,1062 5.753,1063 6.949,1064 0.05,1065 10.422,1066 5.685,1067 8.475,1068 0.196,1069 10.459,1070 1.309,1071 6.066,1072 7.717,1074 12.232,1075 5.978,1076 9.864,1077 -0.134,1078 12.231,1079 0.388,1080 7.624,1081 9.576,1082 0.008,1083 14.913,1084 7.52,1085 11.285,1086 -0.229,1087 14.036,1088 -0.312,1089 8.395,1090 10.751,1092 17.086,1093 8.268,1094 12.729,1095 -0.584,1096 15.865,1097 -0.51,1098 9.708,1099 12.405,1100 0.001,1101 19.603,1102 9.565,1103 3.235,1104 -0.751,1105 17.712,1106 -1.253,1107 10.7,1108 13.769,1110 21.923,1111 10.533,1112 2.61,1113 11.364,1114 19.573,1115 -1.768,1116 11.916,1117 15.34,1119 24.383,1120 11.732,1121 2.252,1122 8.477,1123 21.443,1124 4.582,1125 13.007,1126 16.789,1128 26.765,1129 12.8,1130 1.986,1131 6.886,1132 23.322,1133 3.534,1134 14.189,1135 18.329,1137 29.205,1138 13.963,1139 1.842,1140 5.573,1141 25.208,1142 2.961,1143 15.325,1144 19.817,1146 31.614,1147 15.076,1148 1.493,1149 3.734,1150 27.099,1151 2.699,1152 16.496,1153 21.344,1155 34.047,1156 16.228,1157 1.414,1158 3.396,1159 28.994,1160 1.878,1161 17.651,1162 22.85,1164 36.467,1165 17.361,1166 5424,1167 6825,1168 16.989,1169 33.671,1170 35.813,1171 36.1,1172 37.278,1173 35.964,1174 35.965,1175 44.666,1176 0.8,1177 98.843,1178 35.381,1179 5.599,1180 5.367,1181 6.796,1182 5.256,1183 5.235,1184 7.582,1185 0.8,1186 18.902,1187 5.171,1188 8.979,1189 1.433,1190 1.444,1191 1.491,1192 1.439,1193 1.439,1194 1.787,1195 0.032,1196 3.954,1197 1.415,1198 4.12,1199 4.15,1200 4.081,1201 4.05,1202 4.965,1203 4.054,1204 3.77,1205 3.835,1206 3.647,1207 3.676,1208 4.419,1209 3.663,1210 3.749,1211 3.799,1212 3.592,1213 3.637,1214 4.269,1215 3.617,1216 3.543,1217 3.624,1218 3.366,1219 3.38,1220 4.148,1221 3.365,1222 3.356,1223 3.426,1224 3.196,1225 3.231,1226 3.994,1227 3.214,1228 3.186,1229 3.278,1230 3.027,1231 2.992,1232 3.898,1233 2.987,1234 3.094,1235 3.181,1236 2.877,1237 2.924,1238 3.729,1239 2.9,1240 2.985,1241 3.07,1242 2.774,1243 2.835,1244 3.489,1245 2.81,1246 0.186,1247 0.135,1248 0.273,1249 0.169,1250 0.129,1251 4.651,1252 0.183,1253 3.367,1254 0.016,1255 6.833,1256 0.455,1257 4.215,1258 0.127,1259 3.235,1260 4.582,1261 0.4,1262 11.364,1263 3.171,1264 2.079,1265 2.054,1266 2.164,1267 2.167,1268 1.439,1269 2.168,1270 1.781,1271 1.731,1272 2.036,1273 1.942,1274 1.377,1275 1.978,1276 1.771,1277 1.713,1278 1.968,1279 1.89,1280 1.19,1281 1.92,1282 1.556,1283 1.479,1284 1.848,1285 1.76,1286 1.115,1287 1.794,1288 1.37,1289 1.307,1290 1.63,1291 1.552,1292 0.818,1293 1.585,1294 1.187,1295 1.097,1296 1.534,1297 1.43,1298 0.747,1299 1.468,1300 1.119,1301 1.037,1302 1.452,1303 1.334,1304 0.715,1305 1.379,1306 1.015,1307 0.938,1308 1.315,1309 1.218,1310 0.467,1311 1.258,1312 3.932,1314 5.209,1316 6.708,1318 8.329,1320 10.023,1322 4.428,1328 12.66,1329 3.772,1340 30.418,1341 62.134,1342 148.207,1343 219.257,1344 260.56,1345 274.07,1346 274.07,1347 31.558,1348 7.125,1349 24.92,1350 24.92,1351 18,1352 12.348,1353 3.585,1354 2.7,1355 36.818,1356 74,1357 112,1358 0.235,1359 188.981,1360 321.78,1361 452.874,1362 11297,1364 16.071,1365 0.699,1366 0.641,1367 16.071,1368 14.75,1369 11.292,1370 0.452,1371 0.378,1372 9.418,1373 11.163,1374 9.124,1375 7.681,1376 11.292,1377 9.453,1378 9.507,1379 0.288,1380 0.212,1381 9.507,1382 6.981,1383 7.868,1384 0.179,1385 0.114,1386 7.868,1387 5.001,1388 6.744,1389 0.112,1390 0.061,1391 6.744,1392 3.679,1393 5.784,1394 0.071,1395 0.034,1396 5.784,1397 2.76,1398 0.364,1399 68.615,1400 0.243,1401 22.612,1402 0.655,1403 116,1404 211.978,1405 119.775,1406 216.192,1407 313.34,1408 206,1409 135,1410 243.507,1411 139.33,1412 251.118,1413 370.61,1414 239,1415 6.886}
{0 CHEMBL61274,1 1.372,2 11.565,3 4.308,4 18.561,5 92.779,6 6.206,7 0.24,8 3.995,9 4.131,10 3.408,11 3.497,12 4.897,13 3.442,14 4.612,15 4.822,16 3.756,17 3.929,18 5.498,19 3.833,20 4.91,21 5.165,22 3.778,23 4.095,24 5.653,25 3.957,26 4.935,27 5.206,28 3.649,29 4.025,30 5.724,31 3.861,32 4.833,33 5.119,34 3.485,35 3.82,36 5.659,37 3.663,38 4.576,39 4.839,40 3.306,41 3.567,42 5.459,43 3.437,44 4.39,45 4.643,46 3.265,47 3.422,48 5.325,49 3.328,50 4.302,51 4.516,52 3.185,53 3.377,54 5.375,55 3.289,56 0.051,57 0.717,58 12.649,59 5.068,60 6.688,61 7.272,62 0.372,63 1.185,64 23.677,65 8.549,66 30.754,67 12.66,68 0.252,69 1.451,70 31.13,71 11.349,72 24.256,73 16.749,74 0.27,75 1.401,76 31.848,77 11.275,78 34.106,79 16.717,80 0.314,81 1.184,82 29.035,83 9.336,84 37.39,85 14.037,86 0.347,87 0.9,88 22.895,89 7.064,90 31.818,91 10.419,92 0.238,93 0.774,94 19.057,95 5.685,96 24.5,97 8.502,98 0.366,99 0.722,100 17.964,101 5.213,102 37.92,103 7.524,104 18,105 34,106 0.235,107 0.505,108 0.746,109 0.873,110 0.887,111 0.887,112 3.187,113 1.078,114 -4.18,115 -4.12,116 -3.89,121 37.3,122 1,123 6,124 1,126 1,127 2,129 1,144 3,145 2,146 1,161 1,176 11,179 1,180 5,183 2,185 1,187 13,192 5,197 1,200 9,206 8,211 3,214 4,219 6,224 3,227 1,231 1,232 4,237 3,239 2,244 4,249 2,251 4,255 1,256 2,259 1,264 6,277 8,281 760,282 15.715,283 15.715,284 15.715,285 15.715,286 15.715,287 14.885,288 21.224,289 9.609,290 15.998,291 12.341,292 12.341,293 12.341,294 12.341,295 12.341,296 10.96,297 28.266,298 4.59,299 12.773,300 4.3,301 2.727,302 1.319,303 0.579,304 0.5,305 0.5,306 3.871,311 1,312 1,313 572,314 3.606,317 43.724,318 112.171,319 65.997,321 81.199,323 103.472,325 1.845,326 16.454,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 49,338 266,339 4.49,340 3.67,341 6.857,342 4.258,343 3.274,344 4.038,345 2.186,346 11.437,347 3.226,348 3.863,349 3.541,350 5.895,351 3.543,352 2.612,353 3.137,354 0.916,355 8.082,356 2.421,357 3.532,358 2.791,359 5.451,360 3.293,361 2.346,362 2.684,363 0.366,364 7.188,365 2.213,366 3.317,367 2.515,368 5.177,369 3.098,370 2.111,371 2.43,372 0.172,373 6.061,374 2.075,375 3.134,376 2.184,377 4.788,378 2.885,379 1.917,380 2.246,382 5.337,383 1.847,384 2.797,385 1.875,386 4.226,387 2.75,388 1.753,389 1.795,391 3.557,392 1.739,393 2.469,394 1.461,395 3.782,396 2.231,397 1.252,398 1.46,400 3.455,401 1.222,402 2.288,403 1.354,404 3.773,405 2.173,406 1.187,407 1.277,409 2.741,410 1.167,411 2.24,412 1.125,413 3.257,414 2.069,415 1.077,416 1.219,418 2.3,419 1.067,420 1.58,421 0.839,422 2.977,423 1.502,424 0.534,425 0.548,427 0.959,428 0.513,429 1.415,430 0.691,431 2.777,432 1.227,433 0.252,434 0.275,436 0.578,437 0.245,438 1.054,439 0.392,440 2.487,441 0.812,442 -0.128,443 -0.138,445 -0.278,446 -0.12,447 0.816,448 -0.008,449 2.347,450 0.656,451 -0.349,452 -0.397,454 -0.69,455 -0.346,456 0.587,457 -0.345,458 2.156,459 0.214,460 -0.764,461 -0.818,463 -1.875,464 -0.737,465 0.508,466 -0.622,467 2,468 0.187,469 -0.801,470 -0.978,472 -2.036,473 -0.789,474 10.967,475 0.477,476 0.486,477 0.021,478 22.5,479 0.978,480 8,481 0.348,482 14.5,483 0.63,484 22.873,485 0.994,486 26.833,487 0.526,488 14.077,489 0.612,490 3.763,491 0.164,492 7.423,493 0.323,494 0.122,496 0.31,501 0.789,502 1.47,503 0.967,504 1.287,505 0.582,506 1.163,507 0.641,508 1.08,509 0.984,510 1.055,511 0.384,512 1.048,513 0.898,514 1.056,515 0.97,516 1.037,517 0.662,518 1.013,519 0.961,520 1.105,521 0.995,522 1.092,523 0.903,524 1.055,525 1.308,526 0.965,527 0.967,528 0.942,529 1.369,530 0.919,531 1.767,532 0.945,533 1.079,534 0.923,535 1.709,536 0.93,537 1.856,538 1,539 1.019,540 0.906,541 2.095,542 0.872,543 2.522,544 0.889,545 1.409,546 0.925,547 3.194,548 1.032,549 4,550 0.077,551 2.222,552 1.667,553 1.054,554 0.438,555 0.4,556 0.25,557 0.176,558 0.095,559 6046,560 10970,561 2.067,562 54.9,563 10,564 11,567 1,569 6,572 1.65,573 1.944,574 3.448,575 -0.369,577 1,582 69.977,583 1.372,584 2.946,585 4.353,586 5.094,587 5.172,588 5.172,589 2.968,590 4.35,591 4.485,592 3.614,593 914.291,594 7.694,595 10709.9,597 1,599 1,600 289.294,601 1.371,602 4.458,603 0.16,604 0.006,605 0.065,606 0.049,607 0.038,608 0.019,609 0.021,610 0.013,611 0.01,612 0.007,613 0.389,614 0.5,615 1,616 2.153,617 109.725,618 0.009,619 -0.152,620 0.065,621 -0.056,622 0.008,623 0.001,624 0.283,625 0.098,626 0.034,627 0.028,628 0.244,629 0.008,630 -0.036,631 -0.018,632 0.008,633 -0.007,634 0.008,635 0.005,636 -0.022,637 -0.127,638 -0.021,639 -0.098,640 0.017,641 -0.065,642 -0.058,643 -0.04,644 0.036,645 -0.014,646 -0.053,647 0.019,648 -0.075,649 -0.019,650 -0.022,651 0.003,652 -0.149,653 -0.005,654 -0.13,655 -0.034,656 0.054,657 0.024,658 -0.149,659 0.057,660 -0.234,661 0.138,662 -0.257,663 0.012,664 -0.283,665 -0.114,666 2,667 4.884,668 0.522,669 22.491,670 0.987,671 1.134,672 2.945,673 8.673,674 0.624,675 3.258,676 3.555,677 3.829,678 4.127,679 4.382,680 4.511,681 4.625,682 4.71,683 4.691,684 4.736,685 6.508,686 0.575,687 316.49,688 3.258,689 4.779,690 5.624,691 6.503,692 7.38,693 8.276,694 9.17,695 10.077,696 10.982,697 11.895,698 3.9,701 1,705 1,715 3,720 3,722 6,737 1,741 51,743 7,744 1,745 25,747 53,748 19,749 6,750 3,751 3,756 3,757 6,763 1,767 3,768 1,770 7,772 7,773 12,774 1,777 1,782 1,786 1,790 1,793 28,794 4,795 1,796 4,802 2,808 0.333,809 2,828 1,829 2,830 1,832 1,834 1,855 1,859 1,864 2,868 23,876 8,877 1,878 1,880 2,881 1,893 3.9,896 1,898 1,901 11.833,902 9.45,903 5.194,904 3.603,907 1.291,908 1.181,909 0.944,910 5.471,911 8.409,912 3.401,913 3.861,914 4.321,915 4.847,916 5.338,917 5.589,918 5.915,919 6.165,920 6.177,921 6.288,922 0.875,923 34,924 8.583,926 3.583,927 0.026,929 7.514,931 17.15,933 14.481,936 2.014,937 46.333,938 0.001,940 1,941 317.82,942 83.446,943 21.135,945 36.145,948 83.446,949 353.965,950 21.135,951 17.222,952 37.429,953 28.429,954 25.145,955 25.739,956 6.763,957 317.82,959 317.82,960 104.581,961 36.145,964 247.193,965 106.771,968 49.379,969 55.202,972 317.82,973 57.28,974 83.446,977 317.82,978 37.796,979 48.775,980 18.011,981 36.145,982 317.82,983 57.28,984 83.446,986 0.566,987 0.322,988 0.175,989 0.097,990 16,991 7,992 0.132,993 7,994 3,995 1.417,996 3.633,997 176.121,998 0.5,999 11,1000 104.042,1005 16.631,1006 7.566,1007 3.823,1009 57.28,1010 6.158,1015 3.472,1017 18.011,1018 458.546,1019 29,1024 11.884,1028 -0.334,1031 50.345,1032 57.813,1034 0.242,1035 0.519,1036 0.767,1037 0.898,1038 0.912,1039 0.912,1040 4.649,1041 1.187,1042 5.595,1043 3.455,1044 4.234,1045 4.543,1046 2.401,1047 6.405,1048 4.169,1049 5.788,1050 1.077,1051 7.146,1052 2.741,1053 3.761,1054 4.27,1055 1.847,1056 7.31,1057 3.657,1058 7.064,1059 0.534,1060 8.803,1061 2.3,1062 5.808,1063 6.534,1064 3.519,1065 10.46,1066 5.682,1067 8.375,1068 0.252,1069 10.526,1070 0.959,1071 6.196,1072 7.11,1073 3.603,1074 12.263,1075 6.046,1076 9.726,1077 -0.128,1078 12.292,1079 0.578,1080 7.701,1081 8.887,1082 4.91,1083 14.934,1084 7.535,1085 11.104,1086 -0.349,1087 14.09,1088 -0.278,1089 8.514,1090 9.864,1091 5.291,1092 17.117,1093 8.339,1094 12.505,1095 -0.764,1096 15.911,1097 -0.69,1098 9.805,1099 11.445,1100 6.388,1101 19.629,1102 9.617,1103 3.274,1104 -0.801,1105 17.751,1106 -1.875,1107 10.822,1108 12.621,1109 6.93,1110 21.967,1111 10.63,1112 2.612,1113 11.437,1114 19.606,1115 -2.036,1116 12.033,1117 14.112,1118 7.902,1119 24.426,1120 11.832,1121 2.346,1122 8.082,1123 21.473,1124 4.038,1125 13.143,1126 15.39,1127 8.539,1128 26.825,1129 12.937,1130 2.111,1131 7.188,1132 23.35,1133 3.137,1134 14.329,1135 16.836,1136 9.436,1137 29.268,1138 14.114,1139 1.917,1140 6.061,1141 25.235,1142 2.684,1143 15.479,1144 18.168,1145 10.13,1146 31.689,1147 15.257,1148 1.753,1149 5.337,1150 27.127,1151 2.43,1152 16.66,1153 19.59,1154 10.981,1155 34.128,1156 16.428,1157 1.252,1158 3.557,1159 29.024,1160 2.246,1161 17.828,1162 20.951,1163 11.71,1164 36.558,1165 17.587,1166 5968,1167 8179,1168 16.701,1169 31.819,1170 36.733,1171 37.696,1172 38.08,1173 36.674,1174 36.63,1175 42.217,1176 7.283,1177 103.39,1178 35.472,1179 5.49,1180 5.67,1181 6.81,1182 5.337,1183 5.274,1184 7.038,1185 3.889,1186 18.689,1187 5.226,1188 10.792,1189 1.469,1190 1.508,1191 1.523,1192 1.467,1193 1.465,1194 1.689,1195 0.291,1196 4.136,1197 1.419,1198 4.08,1199 4.113,1200 4.017,1201 4.006,1202 7.435,1203 4.005,1204 3.768,1205 3.835,1206 3.632,1207 3.624,1208 4.816,1209 3.608,1210 3.655,1211 3.699,1212 3.542,1213 3.502,1214 4.393,1215 3.505,1216 3.512,1217 3.587,1218 3.374,1219 3.309,1220 4.24,1221 3.307,1222 3.281,1223 3.345,1224 3.117,1225 3.041,1226 4.099,1227 3.055,1228 3.224,1229 3.304,1230 3.045,1231 3.026,1232 3.958,1233 3.021,1234 3.103,1235 3.184,1236 2.916,1237 2.926,1238 3.814,1239 2.92,1240 2.914,1241 2.992,1242 2.677,1243 2.712,1244 3.622,1245 2.691,1246 0.18,1247 0.147,1248 0.274,1249 0.17,1250 0.131,1251 4.49,1252 0.162,1253 3.67,1254 0.087,1255 6.857,1256 0.457,1257 4.258,1258 0.129,1259 3.274,1260 4.038,1261 2.186,1262 11.437,1263 3.226,1264 1.893,1265 1.876,1266 2.025,1267 1.982,1268 1.386,1269 1.986,1270 1.787,1271 1.727,1272 2.002,1273 1.967,1274 1.353,1275 1.979,1276 1.763,1277 1.698,1278 1.971,1279 1.931,1280 1.183,1281 1.96,1282 1.5,1283 1.425,1284 1.795,1285 1.743,1286 1.035,1287 1.758,1288 1.249,1289 1.19,1290 1.577,1291 1.511,1292 0.794,1293 1.526,1294 1.19,1295 1.114,1296 1.482,1297 1.459,1298 0.68,1299 1.476,1300 1.12,1301 1.04,1302 1.458,1303 1.338,1304 0.638,1305 1.384,1306 0.914,1307 0.837,1308 1.208,1309 1.198,1310 0.394,1311 1.213,1312 3.932,1314 5.231,1315 2.398,1316 6.73,1317 4.949,1318 8.332,1319 7.222,1320 9.997,1322 4.384,1328 8.856,1329 2.842,1330 5.458,1332 1.178,1333 2.436,1340 29.321,1341 69.977,1342 150.235,1343 222.009,1344 259.784,1345 263.784,1346 263.784,1347 36.558,1348 7.118,1349 41.57,1350 41.57,1351 17,1352 12.41,1353 3,1354 2.322,1355 37.252,1356 88,1357 113,1358 0.207,1359 180.716,1360 318.3,1361 432.708,1362 11097,1364 16.234,1365 0.706,1366 0.622,1367 16.234,1368 14.307,1369 11.186,1370 0.447,1371 0.359,1372 8.889,1373 10.817,1374 8.649,1375 7.225,1376 11.186,1377 8.985,1378 9.765,1379 0.287,1380 0.203,1381 9.765,1382 6.885,1383 8.054,1384 0.179,1385 0.116,1386 8.054,1387 5.237,1388 6.767,1389 0.111,1390 0.064,1391 6.767,1392 3.888,1393 5.588,1394 0.071,1395 0.036,1396 5.588,1397 2.865,1398 0.332,1399 69.623,1400 0.245,1401 23.053,1402 0.545,1403 118,1404 285.449,1405 128.555,1406 272.194,1407 374.51,1408 256,1409 138,1410 277.712,1411 147.479,1412 279.233,1413 411,1414 263,1415 7.143}
{0 CHEMBL61312,1 1.339,2 5.538,3 0.891,4 0.794,5 53.421,6 6.148,7 0.462,8 3.413,9 3.554,10 2.796,11 2.881,12 4.49,13 2.826,14 3.914,15 4.136,16 3.103,17 3.241,18 4.852,19 3.17,20 4.19,21 4.401,22 3.132,23 3.471,24 5.137,25 3.336,26 4.407,27 4.706,28 2.985,29 3.487,30 5.206,31 3.282,32 4.257,33 4.55,34 2.741,35 3.303,36 5.145,37 3.086,38 4.05,39 4.359,40 2.119,41 2.886,42 4.981,43 2.63,44 3.426,45 3.806,46 1.451,47 2.165,48 4.224,49 1.867,50 2.381,51 2.68,52 0.463,53 1.238,54 3.296,55 0.996,56 0.042,57 0.389,58 7.068,59 2.602,60 8.637,61 3.842,62 0.106,63 0.601,64 11.693,65 3.807,66 10.993,67 5.916,68 0.109,69 0.754,70 15.193,71 5.741,72 17.97,73 8.39,74 0.187,75 0.819,76 18.284,77 6.853,78 24.59,79 10.182,80 0.115,81 0.68,82 15.689,83 5.968,84 26.388,85 8.703,86 0.181,87 0.471,88 12.934,89 4.323,90 36.368,91 6.234,92 0.064,93 0.234,94 6.503,95 2.25,96 18.318,97 3.387,98 0.039,99 0.075,100 2.269,101 0.694,102 8.377,103 1.006,104 20,105 18,106 0.265,107 0.596,108 0.761,109 0.816,110 0.816,111 0.816,112 2.667,113 1.03,114 0.05,115 -0.1,116 -0.3,121 37.9,126 2,127 1,136 1,137 1,144 4,146 2,176 3,185 2,187 3,189 3,197 1,200 1,203 2,211 1,213 1,214 2,216 1,227 3,237 1,239 2,249 1,251 1,281 150,282 8.24,283 8.24,284 8.24,285 8.24,286 8.24,287 7.372,288 11.581,289 4.911,290 8.415,291 6.361,292 6.361,293 6.361,294 6.361,295 6.361,296 5.099,297 15.822,298 2.197,299 6.685,300 3.519,301 1.85,302 1.018,303 0.742,304 0.742,305 0.742,306 3.264,311 1,312 1,313 138,314 3,318 43.744,325 0.888,326 8.375,329 1,330 0.83,331 0.83,332 0.9,333 1,334 1,335 1,336 0.94,337 27.5,338 72,339 4.494,340 3.73,341 7.296,342 4.297,343 3.378,344 3.873,345 1.26,346 12.422,347 3.109,348 3.749,349 2.629,350 5.224,351 3.352,352 2.394,353 3.082,354 0.245,355 6.52,356 2.283,357 2.958,358 1.828,359 4.606,360 2.551,361 1.585,362 2.091,364 4.396,365 1.525,366 2.672,367 1.442,368 3.503,369 2.17,370 1.177,371 1.683,373 2.549,374 1.167,375 2.508,376 1.124,377 3.316,378 1.987,379 1,380 1.369,382 1.737,383 0.986,384 0.947,385 -0.057,386 2.648,387 0.533,388 -0.401,389 -0.506,391 -0.8,392 -0.367,393 0.857,394 -0.306,395 2,396 0.439,397 -0.522,398 -0.693,400 -0.908,401 -0.499,402 0.623,403 -0.6,404 2,405 0.195,406 -0.778,407 -1,409 -2.167,410 -0.752,412 -0.636,413 2,414 -0.1,415 -1,416 -1.007,418 -3,419 -0.9,420 -0.072,421 -1.168,422 1.601,423 -0.42,424 -1.35,425 -1.779,427 -3.401,428 -1.266,429 -0.496,430 -1.243,431 1.074,432 -0.676,433 -1.62,434 -1.893,435 -0.4,436 -4.724,437 -1.533,438 -0.5,439 -1.602,440 0.45,441 -0.927,442 -1.865,443 -2.219,444 -0.4,445 -5.415,446 -1.753,447 -0.74,448 -2,449 0.284,450 -1,451 -2,452 -3,453 -0.705,454 -7.21,455 -2,474 6.233,475 0.479,476 0.44,477 0.034,478 15.25,479 1.173,480 7.5,481 0.577,482 7.75,483 0.596,484 8.232,485 0.633,486 15.067,487 0.52,488 10.065,489 0.774,490 3.376,491 0.26,492 2.684,493 0.206,494 0.294,495 0.064,496 0.16,501 1.096,502 1.58,503 1.043,504 1.263,505 1.122,506 1.163,507 1.146,508 0.948,509 0.956,510 0.818,511 0.532,512 0.83,513 1.013,514 1.35,515 1.238,516 1.323,517 0.913,518 1.304,519 0.528,520 0.917,521 0.898,522 0.966,523 0.583,524 0.97,525 0.732,526 1.035,527 0.993,528 1.123,529 0.869,530 1.092,531 1.841,532 0.795,533 1.157,534 0.874,535 2.104,536 0.953,537 0.687,538 0.541,539 0.551,540 0.583,541 0.697,542 0.563,543 2.415,544 0.768,545 1.362,546 0.855,547 2.98,548 1.004,549 4,551 2,552 1.125,553 0.6,554 0.271,555 0.101,556 0.028,559 847,560 1969,561 1.814,562 55.2,564 15,567 1,572 1.488,573 1.642,574 2.536,575 -0.277,579 1,582 38.828,583 1.339,584 3.008,585 3.84,586 4.116,587 4.116,588 4.116,589 1.922,590 3.181,591 3.672,592 2.578,593 201.088,594 6.102,595 1488.83,597 1,600 140.881,601 1.738,602 3.565,603 0.308,605 0.111,606 0.066,607 0.043,608 0.027,609 0.025,610 0.014,613 0.594,614 1,615 1,616 1.662,617 46.869,618 -0.037,619 -0.315,620 0.015,621 -0.113,622 -0.184,623 -0.061,624 -0.111,625 0.254,626 0.084,627 0.185,628 0.092,629 0.17,630 -0.109,631 -0.241,632 -0.248,633 -0.26,634 -0.088,635 -0.268,636 0.122,637 0.018,638 0.023,639 -0.01,640 0.039,641 -0.005,642 0.018,643 -0.128,644 -0.07,645 -0.161,646 0.008,647 -0.127,648 -0.234,649 -0.014,650 -0.172,651 -0.006,652 -0.281,653 -0.077,654 0.122,655 0.155,656 0.335,657 0.234,658 0.29,659 0.298,660 -0.397,661 -0.048,662 -0.351,663 -0.047,664 -0.601,665 -0.184,666 1.354,667 3.309,668 0.462,669 5.882,670 0.985,671 1.132,672 -1.282,673 1.645,674 0.627,675 2.639,676 2.944,677 3.045,678 3.135,679 3.178,680 2.833,681 2.708,682 1.792,683 1.386,685 3.497,686 0.575,687 178.28,688 2.639,689 4.143,690 4.934,691 5.802,692 6.624,693 7.493,694 8.327,695 9.193,696 10.033,697 10.896,698 3.4,712 1,715 4,720 2,722 6,738 1,741 29,743 7,744 1,745 13,747 29,748 11,749 6,750 2,751 4,756 1,757 1,772 8,773 3,777 1,778 1,784 1,793 16,794 1,795 1,796 2,802 1,803 1,807 1,808 1,809 1,829 1,848 1,849 1,859 1,864 2,868 13,875 1,876 1,883 1,893 3.4,895 1,901 7.917,902 5.617,903 2.958,904 1.626,907 1.273,908 1.255,909 0.851,910 2.859,911 6.27,912 2.89,913 3.384,914 3.79,915 4.243,916 4.647,917 4.44,918 4.498,919 3.726,920 3.726,922 0.75,923 17,924 4.764,925 -0.003,926 1.85,927 0.026,929 7.756,931 9.118,932 -0.001,933 6.947,934 -0.002,936 2.256,937 29.333,938 0.008,941 176.567,942 84.803,945 42.683,948 84.803,949 219.25,951 16.793,952 17.873,953 47.381,954 42.683,955 2.757,957 176.567,959 176.567,960 84.803,961 42.683,964 176.567,965 42.683,968 2.106,969 73.221,970 9.476,972 176.567,973 42.683,974 84.803,977 176.567,978 4.862,979 64.174,981 58.45,982 176.567,983 42.683,984 84.803,986 0.576,987 0.32,988 0.16,989 0.08,990 8,991 4,992 0.103,993 3,995 1,996 2.368,997 72.536,999 6,1000 46.106,1005 9.967,1006 3.729,1007 2.408,1009 42.683,1010 7.317,1015 1.396,1017 42.683,1018 304.053,1019 17,1020 3.716,1026 1.879,1031 28.556,1032 32.822,1034 0.276,1035 0.619,1036 0.791,1037 0.847,1038 0.847,1039 0.847,1040 4.103,1041 -0.778,1042 5.004,1043 -0.908,1044 3.611,1045 4.06,1046 1.242,1047 5.878,1048 3.506,1049 5.329,1050 -1,1051 6.629,1052 -2.167,1053 3.611,1054 3.951,1055 0.931,1056 7.368,1057 3.357,1058 6.653,1059 -1.35,1060 8.39,1061 -3,1062 5.361,1063 6.168,1064 1.34,1065 10.32,1066 5.102,1067 8.019,1068 -1.62,1069 10.233,1070 -3.401,1071 6.133,1072 6.765,1073 1.381,1074 12.55,1075 5.716,1076 9.417,1077 -1.865,1078 12.125,1079 -4.724,1080 7.509,1081 8.57,1082 1.635,1083 15.186,1084 7.067,1085 10.839,1086 -2,1087 14.048,1088 -5.415,1089 8.566,1090 9.498,1091 1.783,1092 17.621,1093 7.989,1094 12.28,1096 15.993,1097 -7.21,1098 9.827,1099 11.106,1100 2.002,1101 20.176,1102 9.198,1103 3.378,1105 17.951,1107 10.985,1108 12.208,1109 2.192,1110 22.67,1111 10.245,1112 2.394,1113 12.422,1114 19.918,1116 12.212,1117 13.711,1118 2.407,1119 25.201,1120 11.403,1121 1.585,1122 6.52,1123 21.892,1124 3.873,1125 13.407,1126 14.913,1127 2.615,1128 27.712,1129 12.5,1130 1.177,1131 4.396,1132 23.869,1133 3.082,1134 14.625,1135 16.355,1136 2.833,1137 30.236,1138 13.642,1139 1,1140 2.549,1141 25.85,1142 2.091,1143 15.833,1144 17.616,1145 3.05,1146 32.753,1147 14.759,1148 -0.401,1149 1.737,1150 27.833,1151 1.683,1152 17.049,1153 19.023,1154 3.272,1155 35.273,1156 15.895,1157 -0.522,1158 -0.8,1159 29.817,1160 1.369,1161 18.263,1162 20.32,1163 3.495,1164 37.792,1165 17.022,1166 984,1167 1537,1168 7.742,1169 18.171,1170 19.685,1171 19.089,1172 20.195,1173 19.175,1174 19.069,1175 24.196,1176 3.01,1177 55.248,1178 18.139,1179 5.233,1180 5.73,1181 7.012,1182 5.297,1183 5.378,1184 6.873,1185 1.965,1186 19.632,1187 5.109,1188 7.555,1189 1.514,1190 1.468,1191 1.553,1192 1.475,1193 1.467,1194 1.861,1195 0.232,1196 4.25,1197 1.395,1198 3.988,1199 4.036,1200 3.919,1201 3.871,1202 6.471,1203 3.877,1204 3.658,1205 3.713,1206 3.538,1207 3.51,1208 4.748,1209 3.507,1210 3.339,1211 3.42,1212 3.159,1213 3.162,1214 4.612,1215 3.152,1216 2.933,1217 3.009,1218 2.806,1219 2.746,1220 4.158,1221 2.749,1222 2.874,1223 2.971,1224 2.561,1225 2.618,1226 3.527,1227 2.584,1228 2.742,1229 2.822,1230 2.499,1231 2.602,1232 3.467,1233 2.57,1234 2.58,1235 2.704,1236 2.233,1237 2.337,1238 3.341,1239 2.293,1240 2.181,1241 2.27,1242 1.883,1243 1.608,1244 3.155,1245 1.666,1246 0.346,1247 0.287,1248 0.561,1249 0.331,1250 0.26,1251 4.494,1252 0.298,1253 3.73,1254 0.097,1255 7.296,1256 0.956,1257 4.297,1258 0.239,1259 3.378,1260 3.873,1261 1.26,1262 12.422,1263 3.109,1264 1.937,1265 1.9,1266 2.068,1267 2.094,1268 1.269,1269 2.09,1270 1.644,1271 1.585,1272 1.851,1273 1.813,1274 0.929,1275 1.827,1276 1.35,1277 1.268,1278 1.658,1279 1.562,1280 0.639,1281 1.6,1282 0.934,1283 0.839,1284 1.417,1285 1.239,1286 0.469,1287 1.308,1288 0.883,1289 0.804,1290 1.15,1291 1.141,1292 0.178,1293 1.131,1294 0.764,1295 0.695,1296 1.134,1297 0.995,1298 0.125,1299 1.052,1300 0.632,1301 0.511,1302 1.014,1303 0.901,1304 0.066,1305 0.949,1306 0.025,1308 0.582,1309 0.58,1311 0.593,1312 3.296,1314 4.595,1316 6.103,1318 7.701,1320 9.343,1322 4.16,1327 9.309,1328 0.851,1335 0.706,1340 16.687,1341 38.828,1342 87.23,1343 111.372,1344 119.372,1345 119.372,1346 119.372,1347 19.666,1348 4.997,1349 20.23,1350 20.23,1351 6,1352 11.449,1353 3,1354 2.322,1355 24.682,1356 26,1357 28,1358 0.502,1359 109.437,1360 186.15,1361 258.787,1362 573,1364 9.897,1365 0.761,1366 0.634,1367 9.897,1368 8.248,1369 6.06,1370 0.466,1371 0.343,1372 4.396,1373 5.851,1374 4.19,1375 3.599,1376 6.06,1377 4.465,1378 5.707,1379 0.317,1380 0.218,1381 5.707,1382 3.927,1383 3.936,1384 0.197,1385 0.114,1386 3.936,1387 2.282,1388 2.992,1389 0.136,1390 0.064,1391 2.992,1392 1.406,1393 2.01,1394 0.087,1395 0.032,1396 2.01,1397 0.735,1398 0.725,1399 37.757,1400 0.359,1401 12.986,1402 1.553,1403 62,1404 138.483,1405 66.546,1406 139.766,1407 186.05,1408 128,1409 69,1410 135.284,1411 74.325,1412 141.141,1413 197.33,1414 130,1415 5.523}
{0 CHEMBL61486,1 1.359,2 6.063,3 2.043,4 4.175,5 66.439,6 6.881,7 0.611,8 3.537,9 3.681,10 3.044,11 3.12,12 4.59,13 3.079,14 4.062,15 4.241,16 3.42,17 3.549,18 5.013,19 3.476,20 4.355,21 4.583,22 3.502,23 3.677,24 5.3,25 3.582,26 4.358,27 4.611,28 3.319,29 3.572,30 5.307,31 3.45,32 4.229,33 4.498,34 3.039,35 3.397,36 5.18,37 3.241,38 4.059,39 4.355,40 2.539,41 3.139,42 4.853,43 2.926,44 3.786,45 4.127,46 1.995,47 2.724,48 4.401,49 2.448,50 3.245,51 3.608,52 1.224,53 2.047,54 3.909,55 1.751,56 0.049,57 0.478,58 7.024,59 2.724,60 7.749,61 3.917,62 0.048,63 0.766,64 12.172,65 5.093,66 7.835,67 7.303,68 0.112,69 0.974,70 17.153,71 6.19,72 17.254,73 9.257,74 0.174,75 0.946,76 17.675,77 5.852,78 23.452,79 8.923,80 0.184,81 0.802,82 15.687,83 5.36,84 28.038,85 8.071,86 0.121,87 0.628,88 13.404,89 4.592,90 19.463,91 6.989,92 0.073,93 0.428,94 10.407,95 3.784,96 11.498,97 5.747,98 0.064,99 0.238,100 6.161,101 1.878,102 9.863,103 2.996,104 5,105 26,106 0.258,107 0.637,108 0.74,109 0.818,110 0.867,111 0.867,112 2.857,113 0.953,114 -2.87,115 -2.88,116 -2.78,121 41.9,123 4,144 3,145 2,146 2,148 2,165 2,166 2,167 2,176 6,180 4,185 4,187 7,189 4,192 4,197 4,200 6,203 4,206 1,208 1,209 1,211 3,214 5,216 3,221 1,222 1,223 1,224 3,226 2,227 7,229 3,230 1,237 1,239 4,241 1,249 2,251 1,253 2,261 1,266 1,281 180,282 10.861,283 10.861,284 10.861,285 10.861,286 10.861,287 9.497,288 10.201,289 6.322,290 10.946,291 8.883,292 8.883,293 8.883,294 8.883,295 8.883,296 6.781,297 5.886,298 3.008,299 9.047,300 3.596,301 1.597,302 1.057,303 0.645,304 0.387,305 0.387,306 3.532,311 1,312 1,313 213,314 1.732,318 78.746,322 87.143,325 0.953,326 11.361,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 33.5,338 97,339 4.639,340 3.34,341 6.776,342 4.197,343 3.215,344 4.575,346 11.07,347 3.155,348 3.98,349 2.742,350 6.005,351 3.596,352 2.606,353 3.515,355 8.481,356 2.577,357 3.478,358 2.276,359 5.281,360 3.079,361 2.105,362 2.878,364 6.337,365 2.049,366 3.453,367 2.176,368 4.95,369 3.026,370 2.066,371 2.787,373 5.765,374 1.979,375 2.594,376 1.517,377 4.135,378 2.416,379 1.423,380 1.627,382 3.384,383 1.412,384 2.499,385 1.397,386 3.691,387 2.252,388 1.256,389 1.499,391 3.059,392 1.251,393 1.962,394 0.922,395 3.454,396 1.754,397 0.774,398 0.895,400 1.872,401 0.758,402 1.49,403 0.323,404 2.941,405 1.115,406 0.169,407 0.212,409 0.417,410 0.159,411 1.007,412 -0.204,413 2.528,414 0.673,415 -0.295,416 -0.358,418 -0.72,419 -0.284,420 0.649,421 -0.569,422 2.347,423 0.244,424 -0.737,425 -0.864,427 -1.937,428 -0.72,429 0.347,430 -0.677,431 2,432 0.139,433 -0.841,434 -1.02,436 -2.166,437 -0.821,438 0.196,439 -0.881,440 1.835,441 -0.026,442 -1,443 -1.253,445 -2.653,446 -0.974,447 -0.059,448 -1.244,449 1.514,450 -0.391,451 -1.359,452 -1.785,454 -3.623,455 -1.318,456 -0.282,457 -1.382,458 1.331,459 -0.58,460 -1.552,461 -1.909,463 -4.52,464 -1.511,465 -0.5,466 -1.762,467 1.114,468 -0.853,469 -1.831,470 -2.198,472 -5.304,473 -1.763,474 7.7,475 0.481,476 0.418,477 0.026,478 21,479 1.313,480 11,481 0.688,482 10,483 0.625,484 11.241,485 0.703,486 16.9,487 0.545,488 11.912,489 0.745,490 3.748,491 0.234,492 4.006,493 0.25,494 0.104,496 0.39,501 1.224,502 0.985,503 0.909,504 0.853,505 1.315,506 0.85,507 0.618,508 1.199,509 0.813,510 1.072,511 0.491,512 0.981,513 0.99,514 1.184,515 0.928,516 1.042,517 0.854,518 0.99,519 1.248,520 1.097,521 1.11,522 1.061,523 1.155,524 1.069,525 1.088,526 0.951,527 1.162,528 1.075,529 1.074,530 1.117,531 1.191,532 0.944,533 1.236,534 1.098,535 1.334,536 1.159,537 0.57,538 0.879,539 0.892,540 0.983,541 0.724,542 0.973,543 1.16,544 0.745,545 1.009,546 0.826,547 1.384,548 0.889,549 3,551 2,552 1.25,553 1.351,554 0.319,555 0.2,556 0.047,557 0.02,559 1842,560 3845,561 2.135,562 48.4,563 6,564 3,567 4,568 2,572 1.557,573 2,574 2.651,575 2.076,577 1,578 1,579 1,582 42.116,583 1.359,584 3.357,585 3.898,586 4.309,587 4.567,588 4.567,589 2.149,590 3.5,591 3.977,592 2.669,593 320.333,594 6.721,595 2647.88,597 1,599 1,600 153.58,601 1.406,602 3.933,603 0.167,605 0.077,606 0.046,607 0.064,608 0.021,609 0.025,610 0.012,611 0.02,613 0.433,614 0.67,615 1,616 0.625,617 62.098,618 -0.205,619 0.212,620 0.015,621 0.184,622 -0.219,623 0.133,624 0.078,625 -0.132,626 0.1,627 -0.013,628 0.141,629 0.036,630 -0.015,631 -0.159,632 0.027,633 -0.057,634 0.022,635 -0.018,636 -0.071,637 -0.08,638 -0.132,639 -0.123,640 -0.071,641 -0.132,642 0.02,643 0.031,644 -0.186,645 -0.136,646 0.05,647 -0.174,648 -0.225,649 -0.033,650 -0.263,651 -0.155,652 -0.274,653 -0.203,654 0.104,655 -0.107,656 0.086,657 -0.019,658 0.03,659 0.023,660 -0.093,661 0.043,662 0.014,663 0.061,664 -0.147,665 0.051,666 0.92,667 2.213,668 0.875,669 7.5,670 0.987,671 1.129,672 1.641,673 2.692,674 0.664,675 2.944,676 3.296,677 3.611,678 3.912,679 4.205,680 4.22,681 4.304,682 4.357,683 4.382,684 4.007,685 3.679,686 0.62,687 213.31,688 2.944,689 4.489,690 5.361,691 6.26,692 7.152,693 8.055,694 8.955,695 9.859,696 10.761,697 11.666,698 9.7,702 2,708 1,714 2,715 3,716 1,720 4,722 11,733 2,741 31,743 11,744 1,745 18,747 33,748 13,749 9,750 3,751 3,756 3,757 6,767 4,770 4,772 9,773 4,790 1,793 15,794 3,795 4,796 3,802 3,808 0.333,822 1,829 3,833 2,859 1,868 16,869 2,876 4,901 8,902 5.367,903 3.444,904 1.961,907 2.409,908 1.37,909 1.058,910 2.163,911 8.914,912 3.199,913 3.882,914 4.543,915 5.193,916 5.836,917 6.168,918 6.529,919 6.868,920 7.167,921 6.837,922 1,923 27,924 5.911,926 2.559,927 0.026,929 7.563,931 11.612,933 10.025,936 2.063,937 33,938 0.005,941 129.482,942 54.74,943 82.58,948 54.74,949 129.482,950 82.58,952 10.138,953 94.223,954 16.786,955 16.173,957 129.482,959 129.482,960 137.32,964 129.482,968 15.039,969 105.495,970 16.786,972 129.482,973 82.58,974 54.74,977 129.482,978 26.311,979 28.429,981 82.58,982 129.482,983 82.58,984 54.74,986 0.589,987 0.355,988 0.201,989 0.118,990 15,991 6,994 2,995 1.286,996 2.802,997 116.95,998 0.286,999 14,1000 64,1005 9.761,1006 3.546,1007 1.526,1008 1.966,1009 82.58,1010 5.756,1011 4.682,1015 4.05,1017 65.794,1018 266.802,1019 23.5,1031 30.607,1032 34.986,1034 0.274,1035 0.678,1036 0.787,1037 0.87,1038 0.922,1039 0.922,1040 4.44,1041 0.169,1042 5.361,1043 1.872,1044 3.97,1045 4.564,1047 6.213,1048 3.932,1049 5.674,1050 -0.295,1051 6.944,1052 0.417,1053 3.611,1054 4.559,1056 7.177,1057 3.544,1058 7.012,1059 -0.737,1060 8.629,1061 -0.72,1062 5.595,1063 6.9,1065 10.321,1066 5.521,1067 8.389,1068 -0.841,1069 10.374,1070 -1.937,1071 6.043,1072 7.707,1074 12.106,1075 5.941,1076 9.799,1077 -1,1078 12.157,1079 -2.166,1080 7.521,1081 9.554,1083 14.78,1084 7.413,1085 11.233,1086 -1.359,1087 13.967,1088 -2.653,1089 8.353,1090 10.736,1092 16.91,1093 8.22,1094 12.685,1095 -1.552,1096 15.796,1097 -3.623,1098 9.63,1099 12.387,1101 19.416,1102 9.487,1103 3.215,1104 -1.831,1105 17.64,1106 -4.52,1107 10.644,1108 13.751,1110 21.696,1111 10.477,1112 2.606,1113 11.07,1114 19.495,1115 -5.304,1116 11.843,1117 15.322,1119 24.139,1120 11.663,1121 2.105,1122 8.481,1123 21.36,1124 4.575,1125 12.939,1126 16.77,1128 26.485,1129 12.737,1130 2.066,1131 6.337,1132 23.232,1133 3.515,1134 14.112,1135 18.309,1137 28.904,1138 13.893,1139 1.423,1140 5.765,1141 25.11,1142 2.878,1143 15.245,1144 19.795,1146 31.28,1147 15.006,1148 1.256,1149 3.384,1150 26.993,1151 2.787,1152 16.409,1153 21.322,1155 33.689,1156 16.152,1157 0.774,1158 3.059,1159 28.88,1160 1.627,1161 17.559,1162 22.826,1164 36.079,1165 17.282,1166 1814,1167 2689,1168 12.137,1169 20.586,1170 27.3,1171 27.465,1172 28.246,1173 27.225,1174 27.228,1175 35.979,1177 80.768,1178 26.681,1179 5.583,1180 5.34,1181 6.457,1182 5.238,1183 5.215,1184 7.575,1186 18.604,1187 5.155,1188 6.187,1189 1.517,1190 1.526,1191 1.569,1192 1.513,1193 1.513,1194 1.999,1196 4.487,1197 1.482,1198 4.109,1199 4.14,1200 4.072,1201 4.037,1202 5.191,1203 4.042,1204 3.744,1205 3.793,1206 3.636,1207 3.655,1208 5.029,1209 3.644,1210 3.334,1211 3.41,1212 3.209,1213 3.182,1214 4.699,1215 3.18,1216 3.167,1217 3.251,1218 3.05,1219 2.982,1220 4.229,1221 2.985,1222 2.963,1223 3.065,1224 2.753,1225 2.781,1226 3.869,1227 2.765,1228 2.791,1229 2.906,1230 2.612,1231 2.597,1232 3.675,1233 2.591,1234 2.682,1235 2.788,1236 2.467,1237 2.356,1238 3.409,1239 2.371,1240 2.402,1241 2.532,1242 2.133,1243 2.022,1244 3.145,1245 2.029,1246 0.258,1247 0.186,1248 0.376,1249 0.233,1250 0.179,1251 4.639,1252 0.254,1253 3.34,1255 6.776,1256 0.615,1257 4.197,1258 0.175,1259 3.215,1260 4.575,1262 11.07,1263 3.155,1264 2.069,1265 2.044,1266 2.152,1267 2.162,1268 1.427,1269 2.16,1270 1.757,1271 1.712,1272 1.943,1273 1.884,1274 1.14,1275 1.908,1276 1.308,1277 1.248,1278 1.511,1279 1.528,1280 0.754,1281 1.529,1282 1.145,1283 1.068,1284 1.441,1285 1.382,1286 0.599,1287 1.4,1288 0.96,1289 0.88,1290 1.246,1291 1.238,1292 0.247,1293 1.26,1294 0.766,1295 0.682,1296 1.117,1297 1.081,1298 0.134,1299 1.103,1300 0.643,1301 0.509,1302 1.021,1303 0.947,1305 0.983,1306 0.374,1307 0.221,1308 0.803,1309 0.724,1311 0.763,1312 3.611,1314 4.949,1316 6.512,1318 8.181,1320 9.905,1326 11.999,1328 4.547,1340 19.225,1341 42.116,1342 104.07,1343 120.825,1344 133.58,1345 141.58,1346 141.58,1347 18.567,1348 6.506,1349 64.93,1350 64.93,1351 18,1352 12.185,1353 3.585,1354 2.7,1355 21.646,1356 38,1357 30,1358 0.323,1359 119.037,1360 194.38,1361 282.209,1362 4766,1364 11.121,1365 0.695,1366 0.573,1367 11.121,1368 9.162,1369 7.754,1370 0.431,1371 0.318,1372 5.685,1373 7.622,1374 5.561,1375 4.599,1376 7.754,1377 5.72,1378 7.145,1379 0.275,1380 0.171,1381 7.145,1382 4.434,1383 6.234,1384 0.173,1385 0.093,1386 6.234,1387 3.33,1388 5.352,1389 0.109,1390 0.051,1391 5.352,1392 2.478,1393 4.685,1394 0.071,1395 0.028,1396 4.685,1397 1.871,1398 0.468,1399 47.51,1400 0.287,1401 15.561,1402 1.008,1403 88,1404 188.27,1405 92.108,1406 194.228,1407 277.7,1408 182,1409 106,1410 217.507,1411 110.33,1412 224.604,1413 330.83,1414 213,1415 5.42}
{0 CHEMBL61506,1 1.507,2 9.2,3 4.823,4 23.263,5 99.169,6 7.578,7 0.607,8 3.89,9 4.005,10 3.483,11 3.49,12 5.005,13 3.46,14 4.423,15 4.579,16 3.833,17 3.905,18 5.592,19 3.85,20 4.71,21 4.925,22 3.912,23 4.032,24 5.702,25 3.954,26 4.736,27 4.961,28 3.826,29 3.966,30 5.761,31 3.883,32 4.664,33 4.888,34 3.755,35 3.939,36 5.682,37 3.845,38 4.65,39 4.877,40 3.71,41 3.96,42 5.55,43 3.845,44 4.672,45 4.908,46 3.73,47 3.927,48 5.66,49 3.817,50 4.628,51 4.858,52 3.551,53 3.788,54 5.683,55 3.679,56 0.115,57 0.636,58 8.525,59 3.98,60 7.753,61 5.208,62 0.146,63 1.045,64 15.812,65 7.025,66 38.581,67 9.345,68 0.117,69 1.359,70 23.303,71 9.171,72 26.836,73 12.763,74 0.293,75 1.38,76 24.967,77 8.806,78 43.48,79 12.047,80 0.313,81 1.271,82 23.064,83 8.431,84 44.318,85 11.682,86 0.145,87 1.227,88 22.452,89 9.376,90 22.37,91 12.95,92 0.222,93 1.225,94 23.611,95 9.456,96 32.205,97 13.203,98 0.256,99 1.137,100 23.227,101 8.429,102 50.55,103 11.222,104 6,105 39,106 0.258,107 0.579,108 0.729,109 0.83,110 0.856,111 0.856,112 3.268,113 0.921,114 -4.84,115 -4.75,116 -4.46,121 45.5,123 4,127 1,144 8,145 3,146 2,148 2,168 2,176 12,179 1,180 6,185 3,187 14,192 8,197 4,200 8,205 1,206 5,209 1,211 6,214 8,218 2,219 2,224 2,227 12,232 3,235 1,239 16,244 8,247 2,251 16,256 8,264 12,269 7,277 6,281 948,282 17.206,283 17.206,284 17.206,285 17.206,286 17.206,287 14.891,288 18.542,289 10.268,290 17.366,291 13.854,292 13.854,293 13.854,294 13.854,295 13.854,296 10.318,297 20.9,298 4.895,299 14.113,300 3.952,301 2.073,302 1.199,303 0.608,304 0.455,305 0.455,306 3.971,311 1,312 1,313 502,314 2.915,318 215.496,322 167.134,325 1.36,326 22.456,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 53.5,338 230,339 4.661,340 3.781,341 6.835,342 4.222,343 3.242,344 4.596,345 2.612,346 11.373,347 3.176,348 4.21,349 3.362,350 6.077,351 3.735,352 2.76,353 3.852,354 0.657,355 8.747,356 2.691,357 3.896,358 2.761,359 5.818,360 3.514,361 2.522,362 3.444,364 7.789,365 2.504,366 3.824,367 2.669,368 5.395,369 3.381,370 2.398,371 3.315,373 7.01,374 2.353,375 3.495,376 2.318,377 5.293,378 3.055,379 2.101,380 2.87,382 6.521,383 2.002,384 2.96,385 1.861,386 4.14,387 2.517,388 1.528,389 2.113,391 3.417,392 1.51,393 2.925,394 1.666,395 3.93,396 2.449,397 1.455,398 2.085,400 3.317,401 1.446,402 2.627,403 1.468,404 3.766,405 2.266,406 1.273,407 1.655,409 3.108,410 1.263,411 2.5,412 1.428,413 3.63,414 2.214,415 1.216,416 1.5,418 2.884,419 1.213,420 2.489,421 1.202,422 3.544,423 2,424 1,425 1.488,427 2.474,428 1,429 2.155,430 1,431 3.247,432 1.967,433 1,434 1.125,436 2.136,437 0.965,438 1.713,439 1,440 3.06,441 1.418,442 0.452,443 0.552,445 1.087,446 0.436,447 1.229,448 0.612,449 2.837,450 0.861,451 -0.101,452 -0.127,454 -0.278,455 -0.097,456 1.021,457 0.067,458 2.511,459 0.621,460 -0.362,461 -0.477,463 -0.928,464 -0.355,465 1,466 -0.219,467 2.313,468 0.371,469 -0.613,470 -0.758,472 -1.457,473 -0.603,474 11.867,475 0.475,476 0.538,477 0.022,478 35.25,479 1.41,480 19.5,481 0.78,482 15.75,483 0.63,484 18.471,485 0.739,486 25.933,487 0.589,488 24.225,489 0.969,490 6.654,491 0.266,492 5.566,493 0.223,494 0.056,496 0.329,501 0.377,502 1.038,503 0.735,504 0.915,505 0.458,506 0.884,507 0.488,508 1.178,509 0.844,510 1.072,511 0.346,512 1.018,513 0.63,514 1.187,515 0.855,516 1.052,517 0.433,518 0.99,519 1.04,520 1.039,521 1.062,522 0.995,523 0.887,524 1.016,525 0.825,526 0.937,527 1.039,528 0.952,529 0.669,530 1.002,531 0.517,532 0.956,533 0.923,534 1.068,535 0.473,536 1.056,537 0.512,538 0.985,539 0.846,540 1.039,541 0.561,542 1.003,543 1.296,544 0.995,545 1.154,546 1.067,547 1.386,548 1.087,549 4,550 0.058,551 2.667,552 1.438,553 1.462,554 0.736,555 0.649,556 0.321,557 0.176,558 0.156,559 6894,560 18164,561 2.154,562 43.2,563 6,564 10,567 1,568 2,572 1.686,573 2.055,574 3.179,575 -0.356,582 66.311,583 1.507,584 3.386,585 4.26,586 4.851,587 5.005,588 5.005,589 2.668,590 4.404,591 4.611,592 3.326,593 997.804,594 8.009,595 11804.6,597 1,600 240.215,601 1.26,602 4.592,603 0.143,604 0.007,605 0.068,606 0.035,607 0.041,608 0.022,609 0.02,610 0.01,611 0.007,612 0.01,613 0.362,614 0.17,615 1,616 0.663,617 118.688,618 0.25,619 0.09,620 0.062,621 0.085,622 0.034,623 0.045,624 0.159,625 -0.125,626 0.006,627 -0.068,628 0.231,629 -0.056,630 0.021,631 -0.169,632 0.07,633 -0.071,634 0.072,635 -0.006,636 -0.078,637 -0.001,638 -0.088,639 -0.054,640 -0.06,641 -0.07,642 0.011,643 0.093,644 -0.084,645 0.007,646 0.028,647 -0.038,648 0.057,649 0.005,650 0.006,651 -0.055,652 0.034,653 -0.034,654 0.187,655 -0.043,656 0.115,657 -0.033,658 0.103,659 0.019,660 -0.157,661 -0.05,662 -0.145,663 -0.093,664 -0.169,665 -0.111,666 2.363,667 4.091,668 0.8,669 21.664,670 1.001,671 1.119,672 3.613,673 13.055,674 0.682,675 3.367,676 3.689,677 3.989,678 4.277,679 4.585,680 4.7,681 4.905,682 5.043,683 5.176,684 5.13,685 5.585,686 0.652,687 333.42,688 3.367,689 4.905,690 5.765,691 6.648,692 7.53,693 8.423,694 9.316,695 10.216,696 11.116,697 12.019,698 6.8,703 1,708 1,709 1,714 2,715 8,716 1,720 5,722 17,734 1,735 1,741 44,743 19,744 2,745 28,747 47,748 20,749 15,750 4,751 8,756 4,757 7,767 4,770 4,772 15,773 5,777 2,779 1,782 2,793 19,794 4,795 1,796 5,802 3,808 0.5,809 2,822 1,829 4,833 2,859 2,868 25,876 5,877 1,893 4.5,899 2,901 12.167,902 7.9,903 5.472,904 2.835,907 3.454,908 1.455,909 1.021,910 4.268,911 11.038,912 3.676,913 4.317,914 4.925,915 5.537,916 6.176,917 6.552,918 7.035,919 7.425,920 7.837,921 7.946,922 1,923 41,924 9.25,926 4.004,927 0.026,929 7.767,931 17.834,933 15.067,936 2.267,937 56.667,940 1,941 211.88,942 107.412,943 40.466,945 50.747,948 107.412,949 262.627,950 40.466,951 5.67,952 12.244,953 75.81,954 34.796,955 19.358,957 211.88,958 50.747,959 211.88,960 147.879,961 50.747,964 211.88,966 50.747,968 17.145,969 90.268,970 40.466,972 211.88,973 91.213,974 107.412,977 211.88,978 31.602,979 81.48,980 18.011,981 67.532,982 211.88,983 91.213,984 107.412,986 0.578,987 0.339,988 0.185,989 0.108,990 20,991 8,992 0.085,993 4,994 2,995 1.2,996 3.703,997 215.8,998 0.2,999 20,1000 110.096,1005 15.891,1006 6.715,1007 3.167,1008 1.66,1009 85.543,1010 15.211,1011 4.73,1015 4.723,1017 18.011,1018 410.505,1019 38.5,1021 -0.363,1024 22.182,1031 44.029,1032 49.235,1034 0.276,1035 0.62,1036 0.78,1037 0.889,1038 0.917,1039 0.917,1040 4.9,1041 1.273,1042 5.74,1043 3.317,1044 4.369,1045 5.004,1046 2.57,1047 6.558,1048 4.331,1049 6.115,1050 1.216,1051 7.298,1052 3.108,1053 3.892,1054 4.89,1055 2.361,1056 7.479,1057 3.829,1058 7.434,1059 1,1060 8.961,1061 2.884,1062 5.958,1063 7.282,1064 4.16,1065 10.61,1066 5.879,1067 8.792,1068 1,1069 10.688,1070 2.474,1071 6.33,1072 8.012,1073 4.506,1074 12.393,1075 6.223,1076 10.185,1077 0.452,1078 12.456,1079 2.136,1080 7.847,1081 9.875,1082 5.948,1083 15.044,1084 7.726,1085 11.602,1086 -0.101,1087 14.253,1088 1.087,1089 8.623,1090 10.998,1091 6.556,1092 17.187,1093 8.476,1094 13.038,1095 -0.362,1096 16.071,1097 -0.278,1098 9.913,1099 12.649,1100 7.794,1101 19.684,1102 9.752,1103 3.242,1104 -0.613,1105 17.904,1106 -0.928,1107 10.889,1108 13.968,1109 8.548,1110 21.986,1111 10.702,1112 2.76,1113 11.373,1114 19.75,1115 -1.457,1116 12.089,1117 15.533,1118 9.67,1119 24.434,1120 11.885,1121 2.522,1122 8.747,1123 21.606,1124 4.596,1125 13.162,1126 16.95,1127 10.509,1128 26.806,1129 12.934,1130 2.398,1131 7.789,1132 23.47,1133 3.852,1134 14.33,1135 18.481,1136 11.563,1137 29.239,1138 14.085,1139 2.101,1140 7.01,1141 25.342,1142 3.444,1143 15.451,1144 19.949,1145 12.452,1146 31.643,1147 15.182,1148 1.528,1149 6.521,1150 27.22,1151 3.315,1152 16.612,1153 21.469,1154 13.468,1155 34.072,1156 16.324,1157 1.455,1158 3.417,1159 29.103,1160 2.87,1161 17.756,1162 22.962,1163 14.386,1164 36.49,1165 17.446,1166 6545,1167 10797,1168 19.186,1169 30.017,1170 41.909,1171 43.534,1172 42.717,1173 41.907,1174 41.893,1175 57.194,1176 6.539,1177 119.728,1178 41.118,1179 5.607,1180 5.781,1181 6.637,1182 5.263,1183 5.242,1184 7.596,1185 4.612,1186 18.915,1187 5.176,1188 9.112,1189 1.497,1190 1.555,1191 1.526,1192 1.497,1193 1.496,1194 2.043,1195 0.234,1196 4.276,1197 1.468,1198 4.138,1199 4.166,1200 4.105,1201 4.051,1202 7.815,1203 4.059,1204 3.902,1205 3.935,1206 3.831,1207 3.841,1208 6.999,1209 3.833,1210 3.812,1211 3.85,1212 3.755,1213 3.67,1214 4.954,1215 3.67,1216 3.548,1217 3.59,1218 3.467,1219 3.277,1220 4.75,1221 3.309,1222 3.301,1223 3.373,1224 3.188,1225 3.052,1226 4.353,1227 3.074,1228 3.122,1229 3.193,1230 3.002,1231 2.947,1232 4.169,1233 2.943,1234 3.052,1235 3.12,1236 2.888,1237 2.844,1238 3.961,1239 2.871,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.686,1245 2.715,1246 0.166,1247 0.135,1248 0.244,1249 0.151,1250 0.116,1251 4.661,1252 0.164,1253 3.781,1254 0.093,1255 6.835,1256 0.406,1257 4.222,1258 0.113,1259 3.242,1260 4.596,1261 2.612,1262 11.373,1263 3.176,1264 2.08,1265 2.055,1266 2.158,1267 2.189,1268 1.435,1269 2.176,1270 1.904,1271 1.874,1272 2.034,1273 1.996,1274 1.179,1275 2.007,1276 1.772,1277 1.731,1278 1.947,1279 1.955,1280 1.127,1281 1.94,1282 1.406,1283 1.357,1284 1.582,1285 1.717,1286 0.767,1287 1.659,1288 1.207,1289 1.145,1290 1.447,1291 1.504,1292 0.696,1293 1.485,1294 1.116,1295 1.04,1296 1.391,1297 1.332,1298 0.574,1299 1.372,1300 1.006,1301 0.955,1302 1.203,1303 1.249,1304 0.245,1305 1.259,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 4.043,1314 5.361,1316 6.895,1318 8.529,1320 10.22,1328 4.954,1329 3.571,1340 28.708,1341 66.311,1342 148.996,1343 187.46,1344 213.46,1345 220.215,1346 220.215,1347 38.149,1348 7.585,1349 70.74,1350 70.74,1351 24,1352 12.54,1353 4.322,1354 3.524,1355 35.675,1356 80,1357 90,1358 0.214,1359 175.072,1360 299.24,1361 418.937,1362 20067,1364 17.225,1365 0.689,1366 0.555,1367 17.225,1368 13.865,1369 12.22,1370 0.436,1371 0.307,1372 8.52,1373 11.846,1374 8.362,1375 6.912,1376 12.22,1377 8.599,1378 10.93,1379 0.28,1380 0.165,1381 10.93,1382 6.417,1383 9.331,1384 0.176,1385 0.09,1386 9.331,1387 4.769,1388 7.895,1389 0.111,1390 0.05,1391 7.895,1392 3.516,1393 6.839,1394 0.071,1395 0.027,1396 6.839,1397 2.651,1398 0.326,1399 76.083,1400 0.228,1401 23.901,1402 0.618,1403 134,1404 375.094,1405 143.951,1406 367.913,1407 503.97,1408 342,1409 159,1410 380.872,1411 169.315,1412 382.594,1413 557.13,1414 361,1415 5.319}
{0 CHEMBL61515,1 1.31,2 6.143,3 1.212,4 1.47,5 58.176,6 6.01,7 0.429,8 3.503,9 3.647,10 2.864,11 2.976,12 4.548,13 2.913,14 4.021,15 4.246,16 3.162,17 3.34,18 4.907,19 3.255,20 4.312,21 4.538,22 3.245,23 3.56,24 5.212,25 3.421,26 4.519,27 4.803,28 3.175,29 3.592,30 5.375,31 3.415,32 4.483,33 4.768,34 2.844,35 3.492,36 5.365,37 3.274,38 4.251,39 4.586,40 2.358,41 3.184,42 5.004,43 2.894,44 3.756,45 4.123,46 1.906,47 2.602,48 4.542,49 2.322,50 2.954,51 3.258,52 1.109,53 1.915,54 3.85,55 1.655,56 0.047,57 0.427,58 7.875,59 2.94,60 8.899,61 4.343,62 0.112,63 0.664,64 13.054,65 4.388,66 10.079,67 6.774,68 0.17,69 0.835,70 17.24,71 6.411,72 17.731,73 9.457,74 0.17,75 0.913,76 20.602,77 7.408,78 28.097,79 10.982,80 0.23,81 0.824,82 19.858,83 7.091,84 39.697,85 10.287,86 0.114,87 0.625,88 14.938,89 5.806,90 27.242,91 8.513,92 0.075,93 0.351,94 8.894,95 3.302,96 21.222,97 4.901,98 0.046,99 0.158,100 4.027,101 1.456,102 11.165,103 2.115,104 21,105 19,106 0.253,107 0.587,108 0.765,109 0.813,110 0.825,111 0.825,112 2.733,113 1.065,114 -0.23,115 -0.37,116 -0.54,121 37.5,123 1,126 2,127 1,136 1,137 1,144 4,146 2,176 5,185 1,187 3,189 2,197 2,199 1,200 1,203 3,211 1,214 1,216 2,224 1,227 3,237 1,239 4,249 1,251 3,264 1,281 188,282 8.999,283 8.999,284 8.999,285 8.999,286 8.999,287 8.104,288 9.377,289 5.495,290 9.164,291 6.849,292 6.849,293 6.849,294 6.849,295 6.849,296 5.55,297 10.504,298 2.509,299 7.156,300 3.69,301 1.965,302 1.047,303 0.797,304 0.735,305 0.735,306 3.337,311 1,312 1,313 166,314 3.162,318 48.5,325 1.02,326 9.15,329 1,330 0.83,331 0.83,332 0.9,333 1,334 1,335 1,336 0.94,337 29.5,338 86,339 4.558,340 3.751,341 7.387,342 4.342,343 3.42,344 3.989,345 1.2,346 12.792,347 3.155,348 3.666,349 2.621,350 5.569,351 3.323,352 2.372,353 2.9,355 7.029,356 2.249,357 2.865,358 1.834,359 4.186,360 2.472,361 1.478,362 2.02,364 3.315,365 1.468,366 2.828,367 1.53,368 3.62,369 2.392,370 1.414,371 1.812,373 2.932,374 1.377,375 2.587,376 1.226,377 3.453,378 2.127,379 1.14,380 1.579,382 2.491,383 1.123,384 1.627,385 0.355,386 2.826,387 1.214,388 0.233,389 0.296,391 0.358,392 0.228,393 1.047,394 0.117,395 2.515,396 0.686,397 -0.235,398 -0.284,400 -0.514,401 -0.214,402 0.604,403 -0.6,404 2,405 0.14,406 -0.843,407 -1,409 -1.894,410 -0.825,411 0.2,412 -0.675,413 2,414 -0.041,415 -1,416 -1.148,418 -2.071,419 -0.9,421 -0.742,422 1.645,423 -0.1,424 -1,425 -1.213,427 -3,428 -0.953,429 -0.107,430 -1.222,431 1.268,432 -0.482,433 -1.414,434 -1.876,436 -3.459,437 -1.323,438 -0.5,439 -1.422,440 1.055,441 -0.724,442 -1.673,443 -1.914,444 -0.4,445 -4.821,446 -1.591,447 -0.556,448 -1.634,449 0.317,450 -0.948,451 -1.891,452 -2.162,453 -0.4,454 -5.548,455 -1.794,456 -0.818,457 -2,458 0.159,459 -1,460 -2,461 -3,462 -0.4,463 -7.61,464 -2,474 6.733,475 0.481,476 0.423,477 0.03,478 15.75,479 1.125,480 7.5,481 0.536,482 8.25,483 0.589,484 9.793,485 0.7,486 16.367,487 0.511,488 10.479,489 0.749,490 3.406,491 0.243,492 3.17,493 0.226,494 0.272,495 0.059,496 0.149,501 1.095,502 1.573,503 1.072,504 1.282,505 1.107,506 1.19,507 1.128,508 0.998,509 0.996,510 0.887,511 0.561,512 0.895,513 0.842,514 1.286,515 1.134,516 1.256,517 0.828,518 1.225,519 0.992,520 1.028,521 0.971,522 1.031,523 0.895,524 1.001,525 1.614,526 0.898,527 1.216,528 0.979,529 1.711,530 1.057,531 0.588,532 0.895,533 0.893,534 0.973,535 0.839,536 0.971,537 0.562,538 0.606,539 0.597,540 0.653,541 0.6,542 0.637,543 1.454,544 0.922,545 1.2,546 1.012,547 1.956,548 1.088,549 3.5,551 2.222,552 1.5,553 0.6,554 0.271,555 0.101,556 0.043,557 0.02,559 1064,560 2322,561 1.827,562 56.3,564 15,567 1,569 2,572 1.513,573 1.663,574 2.619,575 -0.305,579 1,582 41.922,583 1.31,584 3.035,585 3.953,586 4.203,587 4.265,588 4.265,589 2.182,590 3.236,591 3.775,592 2.708,593 246.435,594 6.315,595 1919.66,597 1,600 160,601 1.689,602 3.682,603 0.25,605 0.117,606 0.079,607 0.035,608 0.025,609 0.017,610 0.011,611 0.02,613 0.554,614 0.83,615 1,616 1.876,617 52.48,618 -0.027,619 -0.291,620 0.015,621 -0.105,622 -0.156,623 -0.057,624 -0.097,625 0.202,626 0.057,627 0.137,628 0.059,629 0.124,630 0.093,631 -0.184,632 -0.128,633 -0.204,634 -0.014,635 -0.192,636 -0.005,637 -0.069,638 -0.003,639 -0.072,640 0.052,641 -0.04,642 -0.237,643 0.008,644 -0.229,645 -0.044,646 -0.245,647 -0.125,648 0.025,649 -0.067,650 -0.01,651 -0.054,652 -0.029,653 -0.039,654 0.11,655 0.148,656 0.274,657 0.204,658 0.252,659 0.249,660 -0.207,661 -0.103,662 -0.256,663 -0.113,664 -0.345,665 -0.184,666 1.304,667 3.704,668 0.429,669 7.143,670 0.982,671 1.132,672 -1.001,673 1.003,674 0.623,675 2.708,676 2.996,677 3.135,678 3.258,679 3.219,680 2.89,681 2.708,682 2.303,683 1.792,684 1.386,685 3.756,686 0.569,687 192.31,688 2.708,689 4.205,690 5.004,691 5.872,692 6.701,693 7.578,694 8.416,695 9.297,696 10.139,697 11.02,698 3.1,712 1,715 4,720 2,722 6,738 1,741 32,743 7,744 1,745 14,747 32,748 12,749 6,750 2,751 4,756 1,757 1,770 1,772 8,773 4,777 1,778 1,784 1,790 1,793 18,794 1,795 1,796 2,802 1,803 1,807 1,808 1,809 1,829 1,848 1,849 1,859 1,864 2,868 14,875 1,876 2,883 1,893 3.1,895 1,901 8.417,902 6.117,903 3.236,904 1.883,907 1.27,908 1.248,909 0.855,910 3.446,911 6.394,912 2.944,913 3.418,914 3.845,915 4.261,916 4.626,917 4.388,918 4.419,919 4.137,920 3.785,921 3.663,922 1,923 19,924 5.15,925 0.002,926 2.003,927 0.026,929 7.702,931 9.934,932 0.001,933 7.618,934 0.001,936 2.202,937 30.833,938 0.007,941 200.109,942 87.338,945 42.683,948 87.338,949 242.792,951 16.793,952 20.407,953 47.381,954 42.683,955 2.757,957 200.109,959 200.109,960 87.338,961 42.683,964 176.567,965 66.226,968 4.64,969 73.221,970 9.476,972 200.109,973 42.683,974 87.338,977 200.109,978 7.397,979 64.174,981 58.45,982 200.109,983 42.683,984 87.338,986 0.569,987 0.323,988 0.165,989 0.082,990 8,991 4,992 0.125,993 4,995 1,996 2.482,997 80.633,999 6,1000 49.303,1005 10.961,1006 4.401,1007 2.684,1009 42.683,1010 7.469,1015 1.316,1017 42.683,1018 330.13,1019 18,1020 3.707,1026 1.903,1031 31.44,1032 36.237,1034 0.262,1035 0.607,1036 0.791,1037 0.841,1038 0.853,1039 0.853,1040 4.151,1041 -0.843,1042 5.056,1043 -0.514,1044 3.664,1045 4.094,1046 1.072,1047 5.943,1048 3.564,1049 5.362,1050 -1,1051 6.686,1052 -1.894,1053 3.611,1054 3.951,1055 0.931,1056 7.445,1057 3.357,1058 6.683,1059 -1,1060 8.457,1061 -2.071,1062 5.407,1063 6.199,1064 1.148,1065 10.45,1066 5.155,1067 8.05,1068 -1.414,1069 10.313,1070 -3,1071 6.176,1072 6.84,1073 1.241,1074 12.695,1075 5.762,1076 9.456,1077 -1.673,1078 12.219,1079 -3.459,1080 7.571,1081 8.644,1082 1.386,1083 15.372,1084 7.135,1085 10.89,1086 -1.891,1087 14.156,1088 -4.821,1089 8.641,1090 9.645,1091 1.521,1092 17.826,1093 8.073,1094 12.345,1095 -2,1096 16.113,1097 -5.548,1098 9.916,1099 11.251,1100 1.668,1101 20.416,1102 9.298,1103 3.42,1105 18.082,1106 -7.61,1107 11.089,1108 12.429,1109 1.818,1110 22.934,1111 10.364,1112 2.372,1113 12.792,1114 20.06,1116 12.329,1117 13.935,1118 1.973,1119 25.497,1120 11.538,1121 1.478,1122 7.029,1123 22.044,1124 3.989,1125 13.538,1126 15.205,1127 2.132,1128 28.035,1129 12.654,1130 1.414,1131 3.315,1132 24.032,1133 2.9,1134 14.77,1135 16.657,1136 2.294,1137 30.589,1138 13.81,1139 1.14,1140 2.932,1141 26.023,1142 2.02,1143 15.991,1144 17.978,1145 2.46,1146 33.134,1147 14.945,1148 0.233,1149 2.491,1150 28.016,1151 1.812,1152 17.221,1153 19.4,1154 2.628,1155 35.684,1156 16.096,1157 -0.235,1158 0.358,1159 30.011,1160 1.579,1161 18.447,1162 20.748,1163 2.798,1164 38.232,1165 17.239,1166 1218,1167 1837,1168 8.436,1169 19.932,1170 20.832,1171 19.944,1172 21.511,1173 20.254,1174 20.114,1175 25.194,1176 2.4,1177 57.834,1178 19.2,1179 5.377,1180 5.751,1181 7.228,1182 5.342,1183 5.42,1184 6.989,1185 1.6,1186 20.402,1187 5.155,1188 7.96,1189 1.488,1190 1.425,1191 1.537,1192 1.447,1193 1.437,1194 1.8,1195 0.171,1196 4.131,1197 1.371,1198 3.992,1199 4.04,1200 3.924,1201 3.872,1202 6.469,1203 3.879,1204 3.682,1205 3.738,1206 3.553,1207 3.556,1208 4.724,1209 3.545,1210 3.451,1211 3.529,1212 3.286,1213 3.271,1214 4.642,1215 3.266,1216 2.941,1217 3.029,1218 2.821,1219 2.746,1220 4.233,1221 2.751,1222 2.919,1223 3.009,1224 2.639,1225 2.722,1226 3.569,1227 2.687,1228 2.874,1229 2.974,1230 2.573,1231 2.618,1232 3.524,1233 2.591,1234 2.749,1235 2.816,1236 2.499,1237 2.605,1238 3.467,1239 2.57,1240 2.246,1241 2.398,1242 1.884,1243 1.917,1244 3.235,1245 1.868,1246 0.326,1247 0.268,1248 0.528,1249 0.31,1250 0.244,1251 4.558,1252 0.285,1253 3.751,1254 0.086,1255 7.387,1256 0.914,1257 4.342,1258 0.225,1259 3.42,1260 3.989,1261 1.2,1262 12.792,1263 3.155,1264 1.938,1265 1.901,1266 2.073,1267 2.099,1268 1.317,1269 2.094,1270 1.686,1271 1.628,1272 1.895,1273 1.836,1274 1.006,1275 1.858,1276 1.45,1277 1.37,1278 1.732,1279 1.659,1280 0.796,1281 1.69,1282 0.967,1283 0.864,1284 1.417,1285 1.239,1286 0.469,1287 1.308,1288 0.934,1289 0.84,1290 1.373,1291 1.221,1292 0.338,1293 1.279,1294 0.883,1295 0.804,1296 1.145,1297 1.148,1298 0.179,1299 1.132,1300 0.753,1301 0.697,1302 1.015,1303 0.964,1304 0.068,1305 0.995,1306 0.293,1307 0.139,1308 0.855,1309 0.67,1311 0.742,1312 3.367,1314 4.654,1316 6.159,1318 7.767,1320 9.426,1322 4.164,1327 9.704,1328 1.891,1335 0.679,1340 18.214,1341 41.922,1342 97.129,1343 126.49,1344 134.49,1345 136.49,1346 136.49,1347 24.046,1348 5.124,1349 20.23,1350 20.23,1351 6,1352 11.564,1353 3,1354 2.322,1355 27.743,1356 30,1357 36,1358 0.484,1359 119.03,1360 203.45,1361 282.193,1362 696,1364 10.604,1365 0.757,1366 0.64,1367 10.604,1368 8.955,1369 6.577,1370 0.47,1371 0.355,1372 4.902,1373 6.374,1374 4.691,1375 4.016,1376 6.577,1377 4.971,1378 5.96,1379 0.314,1380 0.223,1381 5.96,1382 4.228,1383 4.29,1384 0.195,1385 0.118,1386 4.29,1387 2.607,1388 3.295,1389 0.132,1390 0.066,1391 3.295,1392 1.644,1393 2.196,1394 0.092,1395 0.039,1396 2.196,1397 0.947,1398 0.707,1399 40.858,1400 0.344,1401 14.064,1402 1.479,1403 66,1404 142.483,1405 70.546,1406 143.623,1407 192.33,1408 132,1409 74,1410 140.284,1411 79.879,1412 145.744,1413 205.53,1414 135,1415 5}
{0 CHEMBL61533,1 1.471,2 6.125,3 2.996,4 8.973,5 61.955,6 7.458,7 0.611,8 3.481,9 3.606,10 3.054,11 3.085,12 4.577,13 3.055,14 4.024,15 4.191,16 3.441,17 3.504,18 5.088,19 3.45,20 4.32,21 4.544,22 3.519,23 3.615,24 5.369,25 3.544,26 4.273,27 4.509,28 3.346,29 3.49,30 5.389,31 3.395,32 4.15,33 4.412,34 2.992,35 3.31,36 5.11,37 3.173,38 3.96,39 4.248,40 2.675,41 3.022,42 4.976,43 2.841,44 3.66,45 3.976,46 2.097,47 2.505,48 4.656,49 2.319,50 2.983,51 3.322,52 1.279,53 1.582,54 4.124,55 1.435,56 0.02,57 0.495,58 5.82,59 2.74,60 6.161,61 3.513,62 0.019,63 0.817,64 10.88,65 4.972,66 10.23,67 6.543,68 0.129,69 1.039,70 16.447,71 6.216,72 26.021,73 8.366,74 0.233,75 0.969,76 15.912,77 5.461,78 35.901,79 7.657,80 0.143,81 0.79,82 14.465,83 5.008,84 25.118,85 7.092,86 0.148,87 0.655,88 12.603,89 4.771,90 31.518,91 6.672,92 0.156,93 0.51,94 10.371,95 3.586,96 30.822,97 4.435,98 0.135,99 0.276,100 5.751,101 1.692,102 24.425,103 1.829,104 5,105 26,106 0.284,107 0.674,108 0.772,109 0.843,110 0.87,111 0.87,112 2.857,113 0.937,114 -3.84,115 -3.8,116 -3.61,121 44.8,123 4,144 3,145 2,146 2,148 2,165 1,166 1,167 1,176 6,180 4,185 2,187 8,189 2,192 3,197 2,200 5,203 2,206 2,208 1,209 1,211 4,214 6,216 4,224 1,227 6,229 1,239 4,251 1,281 166,282 10.861,283 10.861,284 10.861,285 10.861,286 10.861,287 9.497,288 8.666,289 6.32,290 10.989,291 8.883,292 8.883,293 8.883,294 8.883,295 8.883,296 6.781,297 4.049,298 3.004,299 9.129,300 3.387,301 1.362,302 0.854,303 0.483,304 0.345,305 0.345,306 3.532,311 1,312 1,313 215,314 1.732,318 78.746,322 87.143,325 0.906,326 17.529,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 34.5,338 98,339 4.637,340 3.346,341 6.773,342 4.194,343 3.213,344 4.573,346 11.057,347 3.15,348 3.986,349 2.925,350 6.003,351 3.589,352 2.609,353 3.528,355 8.475,356 2.556,357 3.554,358 2.521,359 5.335,360 3.148,361 2.193,362 2.938,364 6.553,365 2.084,366 3.348,367 2.19,368 4.89,369 2.891,370 1.95,371 2.685,373 5.528,374 1.821,375 2.635,376 1.478,377 4.119,378 2.428,379 1.435,380 1.68,382 3.383,383 1.424,384 2.488,385 1.433,386 3.708,387 2.249,388 1.256,389 1.488,391 3.067,392 1.246,393 2.004,394 1.055,395 3.484,396 1.819,397 0.844,398 0.951,400 2.019,401 0.82,402 1.337,403 0.307,404 2.911,405 0.95,411 1.127,412 0.116,413 2.543,414 0.737,415 -0.193,416 -0.243,418 -0.462,419 -0.174,420 0.678,421 -0.456,422 2.342,423 0.316,424 -0.632,425 -0.75,427 -1.622,428 -0.591,429 0.298,430 -0.653,431 2,432 0.123,433 -0.867,434 -0.973,436 -2.12,437 -0.856,438 0.173,439 -0.93,440 1.835,441 -0.173,442 -1.134,443 -1.508,445 -3.083,446 -1.056,447 -0.023,448 -1.112,449 1.518,450 -0.364,451 -1.279,452 -1.624,454 -3.589,455 -1.212,456 -0.288,457 -1.389,458 1.333,459 -0.604,460 -1.565,461 -1.942,463 -4.413,464 -1.512,465 -0.5,466 -1.746,467 1.154,468 -0.862,469 -1.831,470 -2.199,472 -5.447,473 -1.752,474 7.586,475 0.474,476 0.418,477 0.026,478 20.5,479 1.281,480 10.5,481 0.656,482 10,483 0.625,484 11.329,485 0.708,486 17.014,487 0.587,488 11.802,489 0.738,490 3.73,491 0.233,492 4.025,493 0.252,494 0.09,496 0.395,499 1,501 0.622,502 0.898,503 0.759,504 0.897,505 0.613,506 0.858,507 0.547,508 1.04,509 0.749,510 1.062,511 0.475,512 0.975,513 0.884,514 1.034,515 0.882,516 0.971,517 0.812,518 0.933,519 0.792,520 0.909,521 1.074,522 1.047,523 0.754,524 1.092,525 0.795,526 0.852,527 1.13,528 1.032,529 0.759,530 1.106,531 0.598,532 0.908,533 0.926,534 1.116,535 0.658,536 1.104,537 1.854,538 1.231,539 1.192,540 0.992,541 2.009,542 0.986,543 3.286,544 1.451,545 1.473,546 0.709,547 3.512,548 0.749,549 3,551 2,552 1.375,553 1.271,554 0.375,555 0.2,556 0.047,557 0.02,559 1846,560 4697,561 2.135,562 44.8,563 6,564 3,567 2,568 2,572 1.557,573 2,574 2.657,575 0.39,577 1,578 1,579 1,582 42.67,583 1.471,584 3.496,585 4.004,586 4.375,587 4.513,588 4.513,589 2.149,590 2.906,591 3.977,592 2.676,593 321.104,594 6.719,595 2654.04,597 1,599 1,600 140.881,601 1.406,602 3.933,603 0.167,605 0.077,606 0.051,607 0.061,608 0.027,609 0.022,610 0.012,611 0.02,613 0.436,614 1,615 1,616 0.625,617 62.136,618 -0.059,619 0.072,620 0.023,621 0.11,622 -0.053,623 0.093,624 0.03,625 -0.134,626 0.082,627 -0.054,628 0.078,629 0.005,630 -0.048,631 -0.102,632 0.045,633 -0.011,634 -0.017,635 0.025,636 0.038,637 -0.009,638 -0.141,639 -0.139,640 0.019,641 -0.17,642 -0.099,643 -0.046,644 -0.191,645 -0.119,646 -0.09,647 -0.155,648 0.198,649 -0.087,650 0.065,651 -0.138,652 0.173,653 -0.085,654 -0.148,655 -0.042,656 -0.029,657 0.018,658 -0.207,659 0.017,660 -0.423,661 0.205,662 -0.093,663 0.309,664 -0.468,665 0.206,666 1.921,667 5.12,668 0.875,669 7.625,670 1.001,671 1.132,672 2.609,673 6.808,674 0.673,675 2.944,676 3.296,677 3.611,678 3.912,679 4.19,680 4.248,681 4.29,682 4.369,683 4.357,684 4.025,685 3.691,686 0.641,687 216.28,688 2.944,689 4.489,690 5.361,691 6.26,692 7.151,693 8.055,694 8.952,695 9.859,696 10.758,697 11.666,698 6.9,702 1,708 1,714 2,715 3,716 1,720 4,722 11,733 1,740 1,741 29,743 11,744 1,745 18,747 31,748 13,749 9,750 3,751 3,756 3,757 6,767 4,770 4,772 9,773 4,790 1,791 1,793 13,794 3,795 2,796 3,802 2,808 0.333,822 1,829 3,833 2,859 1,866 1,868 16,869 1,876 4,892 1,901 8,902 5.176,903 3.444,904 1.913,907 2.409,908 1.37,909 1.052,910 2.149,911 8.915,912 3.199,913 3.882,914 4.543,915 5.193,916 5.826,917 6.189,918 6.518,919 6.88,920 7.141,921 6.864,922 1,923 27,924 5.943,926 2.623,927 0.026,929 7.813,931 11.466,933 9.911,936 2.313,937 37,938 0.003,941 129.482,942 61.104,943 49.683,946 14.96,948 61.104,949 129.482,950 64.643,952 10.138,953 61.326,954 16.786,955 22.537,956 14.96,957 129.482,959 129.482,960 110.787,961 14.96,964 144.442,968 15.039,969 78.962,970 16.786,972 144.442,973 49.683,974 61.104,977 129.482,978 32.675,979 28.429,981 64.643,982 129.482,983 64.643,984 61.104,986 0.589,987 0.354,988 0.2,989 0.114,990 15,991 6,994 2,995 1.286,996 2.804,997 116.871,998 0.286,999 14,1000 62,1005 9.737,1006 3.532,1007 1.519,1008 1.556,1009 64.643,1010 4.623,1011 4.517,1015 2.766,1017 32.897,1018 255.229,1019 23.5,1031 29.018,1032 32.828,1034 0.303,1035 0.72,1036 0.824,1037 0.901,1038 0.929,1039 0.929,1040 4.44,1042 5.361,1043 2.019,1044 3.97,1045 4.564,1047 6.213,1048 3.916,1049 5.674,1050 -0.193,1051 6.944,1053 3.611,1054 4.559,1056 7.177,1057 3.509,1058 7.012,1059 -0.632,1060 8.629,1061 -0.462,1062 5.595,1063 6.9,1065 10.32,1066 5.498,1067 8.389,1068 -0.867,1069 10.374,1070 -1.622,1071 6.043,1072 7.707,1074 12.104,1075 5.908,1076 9.799,1077 -1.134,1078 12.157,1079 -2.12,1080 7.521,1081 9.554,1083 14.776,1084 7.388,1085 11.233,1086 -1.279,1087 13.967,1088 -3.083,1089 8.353,1090 10.736,1092 16.904,1093 8.191,1094 12.685,1095 -1.565,1096 15.796,1097 -3.589,1098 9.63,1099 12.387,1101 19.409,1102 9.462,1103 3.213,1104 -1.831,1105 17.64,1106 -4.413,1107 10.642,1108 13.75,1110 21.687,1111 10.451,1112 2.609,1113 11.057,1114 19.494,1115 -5.447,1116 11.841,1117 15.32,1119 24.128,1120 11.638,1121 2.193,1122 8.475,1123 21.358,1124 4.573,1125 12.936,1126 16.767,1128 26.472,1129 12.711,1130 1.95,1131 6.553,1132 23.23,1133 3.528,1134 14.108,1135 18.305,1137 28.89,1138 13.867,1139 1.435,1140 5.528,1141 25.107,1142 2.938,1143 15.24,1144 19.792,1146 31.264,1147 14.979,1148 1.256,1149 3.383,1150 26.99,1151 2.685,1152 16.403,1153 21.317,1155 33.672,1156 16.125,1157 0.844,1158 3.067,1159 28.876,1160 1.68,1161 17.552,1162 22.821,1164 36.061,1165 17.254,1166 1818,1167 2987,1168 12.137,1169 19.517,1170 27.089,1171 27.603,1172 28.226,1173 27.105,1174 27.001,1175 35.684,1177 80.164,1178 26.203,1179 5.582,1180 5.346,1181 6.454,1182 5.235,1183 5.213,1184 7.573,1186 18.595,1187 5.15,1188 6.216,1189 1.505,1190 1.534,1191 1.568,1192 1.506,1193 1.5,1194 1.982,1196 4.454,1197 1.456,1198 4.108,1199 4.137,1200 4.075,1201 4.034,1202 8.201,1203 4.04,1204 3.74,1205 3.786,1206 3.64,1207 3.649,1208 5.134,1209 3.64,1210 3.319,1211 3.385,1212 3.218,1213 3.167,1214 4.735,1215 3.169,1216 3.142,1217 3.221,1218 3.018,1219 2.97,1220 4.303,1221 2.968,1222 2.925,1223 3.02,1224 2.731,1225 2.762,1226 3.967,1227 2.745,1228 2.726,1229 2.844,1230 2.587,1231 2.546,1232 3.555,1233 2.54,1234 2.671,1235 2.731,1236 2.499,1237 2.354,1238 3.432,1239 2.38,1240 2.042,1241 2.187,1242 1.793,1243 1.718,1244 3.134,1245 1.706,1246 0.258,1247 0.186,1248 0.376,1249 0.233,1250 0.178,1251 4.637,1252 0.254,1253 3.346,1255 6.773,1256 0.614,1257 4.194,1258 0.175,1259 3.213,1260 4.573,1262 11.057,1263 3.15,1264 2.066,1265 2.041,1266 2.148,1267 2.159,1268 1.427,1269 2.157,1270 1.749,1271 1.706,1272 1.931,1273 1.873,1274 1.131,1275 1.896,1276 1.282,1277 1.229,1278 1.487,1279 1.495,1280 0.753,1281 1.493,1282 1.134,1283 1.059,1284 1.423,1285 1.349,1286 0.583,1287 1.379,1288 0.927,1289 0.855,1290 1.196,1291 1.179,1292 0.214,1293 1.196,1294 0.698,1295 0.618,1296 1.074,1297 1.004,1298 0.149,1299 1.031,1300 0.607,1301 0.497,1302 0.888,1303 0.857,1305 0.872,1306 0.058,1308 0.674,1309 0.452,1311 0.537,1312 3.611,1314 4.949,1316 6.512,1318 8.181,1320 9.905,1324 13.12,1326 6.127,1328 4.291,1340 18.587,1341 42.67,1342 101.372,1343 116.127,1344 126.881,1345 130.881,1346 130.881,1347 22.535,1348 6.506,1349 38.91,1350 38.91,1351 18,1352 12.184,1353 3.585,1354 2.7,1355 21.654,1356 39,1357 30,1358 0.322,1359 113.44,1360 189.45,1361 268.555,1362 4766,1363 3.4,1364 11.121,1365 0.695,1366 0.56,1367 10.251,1368 8.963,1369 7.754,1370 0.431,1371 0.312,1372 5.57,1373 7.541,1374 5.471,1375 4.495,1376 7.36,1377 5.62,1378 7.145,1379 0.275,1380 0.166,1381 6.512,1382 4.319,1383 6.227,1384 0.173,1385 0.091,1386 5.892,1387 3.269,1388 5.413,1389 0.11,1390 0.05,1391 5.149,1392 2.436,1393 4.507,1394 0.069,1395 0.028,1396 4.302,1397 1.808,1398 0.467,1399 48.087,1400 0.287,1401 15.571,1402 1.002,1403 88,1404 265.068,1405 94.912,1406 237.719,1407 324.98,1408 222,1409 106,1410 241.995,1411 112.407,1412 241.205,1413 356.4,1414 229,1415 7.06}
{0 CHEMBL61561,1 1.307,2 10.217,3 6.248,4 39.039,5 95.124,6 6.29,7 0.44,8 3.964,9 4.105,10 3.385,11 3.525,12 4.877,13 3.457,14 4.563,15 4.774,16 3.707,17 3.932,18 5.423,19 3.824,20 4.876,21 5.153,22 3.788,23 4.055,24 5.678,25 3.922,26 4.83,27 5.102,28 3.728,29 4.007,30 5.665,31 3.869,32 4.79,33 5.056,34 3.631,35 4,36 5.544,37 3.848,38 4.821,39 5.095,40 3.545,41 3.987,42 5.58,43 3.803,44 4.82,45 5.121,46 3.372,47 3.873,48 5.565,49 3.669,50 4.663,51 4.975,52 3.157,53 3.665,54 5.456,55 3.467,56 0.049,57 0.769,58 11.992,59 5.191,60 5.268,61 7.275,62 0.112,63 1.267,64 21.933,65 8.843,66 16.045,67 12.677,68 0.233,69 1.574,70 30.233,71 10.922,72 29.722,73 16.097,74 0.334,75 1.511,76 29.078,77 10.073,78 35.636,79 15.154,80 0.208,81 1.428,82 27.559,83 10.179,84 21.064,85 15.07,86 0.254,87 1.457,88 28.327,89 11.047,90 25.461,91 15.972,92 0.236,93 1.419,94 28.524,95 10.837,96 28.025,97 15.312,98 0.274,99 1.23,100 24.815,101 8.95,102 34.14,103 12.435,104 12,105 33,106 0.224,107 0.503,108 0.693,109 0.835,110 0.881,111 0.881,112 3.188,113 1.097,114 -5.53,115 -5.4,116 -5.04,121 40,122 1,123 9,127 1,144 3,145 2,146 2,148 2,176 11,180 4,185 3,187 12,192 3,197 3,200 8,206 2,209 1,211 5,214 10,224 2,227 11,232 1,237 1,239 12,244 1,249 1,251 10,256 1,264 9,269 1,277 9,281 838,282 15.974,283 15.974,284 15.974,285 15.974,286 15.974,287 14.662,288 13.41,289 9.994,290 16.148,291 12.368,292 12.368,293 12.368,294 12.368,295 12.368,296 10.274,297 13.07,298 4.771,299 12.68,300 4.336,301 2.704,302 1.591,303 0.765,304 0.495,305 0.495,306 3.877,312 1,313 502,314 3.162,318 140.178,322 160.174,325 1.357,326 17.367,329 0.75,330 1,331 1,332 1,333 1,334 1,335 1,336 0.96,337 48.5,338 235,339 4.651,340 3.372,341 6.833,342 4.214,343 3.235,344 4.582,345 0.4,346 11.364,347 3.168,348 3.99,349 2.926,350 6.004,351 3.59,352 2.61,353 3.534,355 8.477,356 2.557,357 3.584,358 2.557,359 5.427,360 3.206,361 2.252,362 2.961,364 6.886,365 2.139,366 3.365,367 2.268,368 4.899,369 2.925,370 1.986,371 2.699,373 5.573,374 1.862,375 2.868,376 1.888,377 4.121,378 2.835,379 1.842,380 1.878,382 3.734,383 1.815,384 2.671,385 1.639,386 3.974,387 2.474,388 1.493,389 1.716,391 3.396,392 1.462,393 2.495,394 1.434,395 3.774,396 2.408,397 1.414,398 1.495,400 3.186,401 1.404,402 2.454,403 1.42,404 3.591,405 2.249,406 1.256,407 1.453,409 2.898,410 1.246,411 2.087,412 1.149,413 3.334,414 2.005,415 1.029,416 1.069,418 2.212,419 1.002,420 1.787,421 0.787,422 2.979,423 1.653,424 0.669,425 0.728,427 1.309,428 0.656,429 1.374,430 0.347,431 2.743,432 1.165,433 0.196,434 0.217,436 0.388,437 0.189,438 1.149,439 0.197,440 2.541,441 0.819,442 -0.134,443 -0.16,445 -0.312,446 -0.125,447 0.988,448 -0.058,449 2.344,450 0.72,451 -0.229,452 -0.275,454 -0.51,455 -0.215,456 0.658,457 -0.456,458 2.19,459 0.389,460 -0.584,461 -0.654,463 -1.253,464 -0.563,465 0.384,466 -0.57,467 2,468 0.209,469 -0.751,470 -0.85,472 -1.768,473 -0.711,474 11.086,475 0.482,476 0.38,477 0.017,478 24.25,479 1.054,480 10.5,481 0.457,482 13.75,483 0.598,484 23.11,485 1.005,486 26.114,487 0.522,488 14.119,489 0.614,490 3.874,491 0.168,492 7.418,493 0.323,494 0.071,496 0.271,499 1,501 0.623,502 1.147,503 0.943,504 1.155,505 0.524,506 1.1,507 0.641,508 1.155,509 0.957,510 1.166,511 0.491,512 1.112,513 0.872,514 0.985,515 0.845,516 0.9,517 0.767,518 0.871,519 0.794,520 0.888,521 0.947,522 0.928,523 0.634,524 0.943,525 0.752,526 0.919,527 1.024,528 1.012,529 0.549,530 1.034,531 0.601,532 0.97,533 1.022,534 1.128,535 0.604,536 1.127,537 1.052,538 1.051,539 1.014,540 1.042,541 1.147,542 1.031,543 1.618,544 1.021,545 1.088,546 0.899,547 1.771,548 0.927,549 3,550 0.078,551 2,552 1.375,553 1.311,554 0.521,555 0.422,556 0.208,557 0.143,558 0.097,559 5465,560 10346,561 2.093,562 54,563 17,564 5,567 1,568 2,569 2,572 1.659,573 2,574 3.246,575 -0.412,582 65.372,583 1.307,584 2.94,585 4.053,586 4.879,587 5.149,588 5.149,589 2.67,590 4.35,591 4.482,592 3.419,593 865.117,594 7.736,595 9824.97,600 282.193,601 1.214,602 4.473,603 0.12,604 0.007,605 0.061,606 0.039,607 0.041,608 0.018,609 0.017,610 0.01,611 0.009,612 0.007,613 0.329,614 0.5,615 0.88,616 1.88,617 107.564,618 -0.003,619 -0.028,620 0.044,621 0.019,622 0.013,623 0.034,624 0.025,625 -0.151,626 0.012,627 -0.091,628 0.091,629 -0.052,630 0.012,631 -0.036,632 0.134,633 0.073,634 0.034,635 0.109,636 0.09,637 0.056,638 0.038,639 0.026,640 0.072,641 0.024,642 -0.053,643 -0.013,644 -0.064,645 -0.033,646 -0.017,647 -0.044,648 0.09,649 -0.068,650 -0.076,651 -0.132,652 0.041,653 -0.127,654 -0.026,655 -0.085,656 -0.041,657 -0.074,658 -0.05,659 -0.062,660 -0.133,661 0.077,662 -0.063,663 0.049,664 -0.14,665 0.012,666 1.869,667 5.565,668 0.609,669 21.274,670 0.984,671 1.135,672 4.298,673 18.475,674 0.637,675 3.258,676 3.526,677 3.807,678 4.111,679 4.407,680 4.511,681 4.635,682 4.754,683 4.796,684 4.635,685 5.802,686 0.585,687 314.49,688 3.258,689 4.762,690 5.602,691 6.472,692 7.345,693 8.235,694 9.124,695 10.024,696 10.922,697 11.827,698 4,703 1,708 1,714 2,715 3,716 1,720 4,722 11,734 1,740 1,741 50,743 11,744 1,745 25,747 52,748 20,749 9,750 3,751 3,756 3,757 6,763 1,767 4,770 9,772 9,773 11,791 1,793 27,794 3,795 1,796 3,802 2,808 0.333,822 1,829 3,833 2,859 1,864 1,866 1,868 23,876 10,877 1,892 1,901 11.5,902 9.093,903 5.278,904 3.768,907 2.424,908 1.34,909 0.982,910 5.615,911 9.549,912 3.45,913 4.016,914 4.635,915 5.279,916 5.918,917 6.297,918 6.67,919 7.043,920 7.321,921 7.167,922 0.857,923 35,924 8.597,926 3.593,927 0.026,929 7.522,931 17.204,933 14.441,936 2.022,937 46.5,938 0.001,941 306.049,942 84.708,943 34.796,946 14.96,948 84.708,949 306.049,950 49.756,951 8.825,952 24.916,953 28.429,954 34.796,955 22.537,956 14.96,957 306.049,959 306.049,960 119.504,961 14.96,964 297.467,965 23.542,968 38.643,969 46.065,970 34.796,972 321.009,973 34.796,974 84.708,977 306.049,978 47.454,979 37.254,980 18.011,981 31.746,982 306.049,983 49.756,984 84.708,986 0.554,987 0.319,988 0.183,989 0.108,990 15,991 6,992 0.135,993 7,994 2,995 1.286,996 3.572,997 179.849,998 0.286,999 14,1000 104.042,1005 16.392,1006 7.878,1007 3.898,1008 1.861,1009 49.756,1010 4.994,1011 4.726,1015 3.54,1017 18.011,1018 440.513,1019 30.5,1031 49.203,1032 56.734,1034 0.232,1035 0.521,1036 0.718,1037 0.864,1038 0.912,1039 0.912,1040 4.661,1041 1.256,1042 5.549,1043 3.186,1044 4.205,1045 4.7,1046 0.278,1047 6.347,1048 4.153,1049 5.829,1050 1.029,1051 7.086,1052 2.898,1053 3.611,1054 4.559,1056 7.248,1057 3.509,1058 7.128,1059 0.669,1060 8.736,1061 2.212,1062 5.753,1063 6.949,1064 0.05,1065 10.422,1066 5.654,1067 8.475,1068 0.196,1069 10.459,1070 1.309,1071 6.066,1072 7.717,1074 12.232,1075 5.928,1076 9.864,1077 -0.134,1078 12.231,1079 0.388,1080 7.624,1081 9.576,1082 0.008,1083 14.913,1084 7.484,1085 11.285,1086 -0.229,1087 14.036,1088 -0.312,1089 8.395,1090 10.751,1092 17.086,1093 8.226,1094 12.729,1095 -0.584,1096 15.865,1097 -0.51,1098 9.708,1099 12.405,1100 0.001,1101 19.603,1102 9.53,1103 3.235,1104 -0.751,1105 17.712,1106 -1.253,1107 10.7,1108 13.769,1110 21.923,1111 10.497,1112 2.61,1113 11.364,1114 19.573,1115 -1.768,1116 11.916,1117 15.34,1119 24.383,1120 11.7,1121 2.252,1122 8.477,1123 21.443,1124 4.582,1125 13.007,1126 16.789,1128 26.765,1129 12.768,1130 1.986,1131 6.886,1132 23.322,1133 3.534,1134 14.189,1135 18.329,1137 29.205,1138 13.933,1139 1.842,1140 5.573,1141 25.208,1142 2.961,1143 15.325,1144 19.817,1146 31.614,1147 15.047,1148 1.493,1149 3.734,1150 27.099,1151 2.699,1152 16.496,1153 21.344,1155 34.047,1156 16.2,1157 1.414,1158 3.396,1159 28.994,1160 1.878,1161 17.651,1162 22.85,1164 36.467,1165 17.334,1166 5424,1167 7683,1168 16.989,1169 31.847,1170 35.813,1171 36.448,1172 37.278,1173 36.062,1174 35.965,1175 44.666,1176 0.8,1177 98.843,1178 35,1179 5.599,1180 5.372,1181 6.796,1182 5.256,1183 5.235,1184 7.582,1185 0.8,1186 18.902,1187 5.168,1188 8.979,1189 1.433,1190 1.458,1191 1.491,1192 1.442,1193 1.439,1194 1.787,1195 0.032,1196 3.954,1197 1.4,1198 4.116,1199 4.146,1200 4.081,1201 4.04,1202 8.201,1203 4.046,1204 3.767,1205 3.834,1206 3.645,1207 3.654,1208 4.933,1209 3.643,1210 3.738,1211 3.785,1212 3.592,1213 3.635,1214 4.308,1215 3.616,1216 3.539,1217 3.621,1218 3.363,1219 3.374,1220 4.269,1221 3.358,1222 3.305,1223 3.376,1224 3.173,1225 3.158,1226 4.145,1227 3.153,1228 3.165,1229 3.244,1230 3.025,1231 2.983,1232 3.967,1233 2.981,1234 3.084,1235 3.172,1236 2.861,1237 2.913,1238 3.836,1239 2.886,1240 2.905,1241 2.985,1242 2.73,1243 2.756,1244 3.556,1245 2.739,1246 0.186,1247 0.135,1248 0.273,1249 0.169,1250 0.129,1251 4.651,1252 0.183,1253 3.372,1254 0.016,1255 6.833,1256 0.455,1257 4.214,1258 0.127,1259 3.235,1260 4.582,1261 0.4,1262 11.364,1263 3.168,1264 2.069,1265 2.045,1266 2.151,1267 2.163,1268 1.436,1269 2.161,1270 1.778,1271 1.715,1272 2.036,1273 1.942,1274 1.377,1275 1.977,1276 1.749,1277 1.705,1278 1.932,1279 1.873,1280 1.156,1281 1.896,1282 1.552,1283 1.475,1284 1.844,1285 1.757,1286 1.101,1287 1.79,1288 1.293,1289 1.23,1290 1.576,1291 1.508,1292 0.785,1293 1.534,1294 1.151,1295 1.076,1296 1.455,1297 1.359,1298 0.745,1299 1.38,1300 1.116,1301 1.031,1302 1.39,1303 1.329,1304 0.588,1305 1.369,1306 0.914,1307 0.845,1308 1.23,1309 1.137,1310 0.418,1311 1.173,1312 3.932,1314 5.209,1316 6.708,1318 8.329,1320 10.023,1322 2.243,1324 13.565,1328 11.921,1329 3.65,1340 29.275,1341 65.372,1342 146.99,1343 202.625,1344 243.928,1345 257.438,1346 257.438,1347 38.489,1348 7.125,1349 24.92,1350 24.92,1351 18,1352 12.348,1353 3.585,1354 2.7,1355 36.818,1356 74,1357 112,1358 0.235,1359 180.587,1360 310.55,1361 432.392,1362 11297,1363 2,1364 16.071,1365 0.699,1366 0.614,1367 15.2,1368 14.128,1369 11.292,1370 0.452,1371 0.366,1372 9.082,1373 11.045,1374 8.88,1375 7.423,1376 10.898,1377 9.142,1378 9.507,1379 0.288,1380 0.201,1381 8.873,1382 6.622,1383 7.868,1384 0.179,1385 0.109,1386 7.532,1387 4.807,1388 6.744,1389 0.112,1390 0.059,1391 6.48,1392 3.543,1393 5.784,1394 0.071,1395 0.033,1396 5.568,1397 2.64,1398 0.364,1399 69.481,1400 0.243,1401 22.612,1402 0.655,1403 116,1404 298.089,1405 123.605,1406 269.428,1407 372.14,1408 254,1409 135,1410 276.84,1411 142.24,1412 275.911,1413 407.75,1414 263,1415 7.347}
{0 CHEMBL61715,1 1.633,2 6.944,3 2.684,4 7.206,5 69.063,6 7.848,7 0.55,8 3.563,9 3.681,10 3.174,11 3.124,12 4.747,13 3.11,14 4.09,15 4.241,16 3.55,17 3.555,18 5.349,19 3.517,20 4.374,21 4.583,22 3.642,23 3.684,24 5.466,25 3.631,26 4.396,27 4.611,28 3.503,29 3.581,30 5.577,31 3.516,32 4.264,33 4.504,34 3.222,35 3.395,36 5.416,37 3.296,38 4.04,39 4.303,40 2.919,41 3.142,42 5.001,43 3.011,44 3.819,45 4.086,46 2.748,47 2.754,48 5.097,49 2.67,50 3.516,51 3.755,52 2.226,53 2.18,54 4.843,55 2.174,56 0.133,57 0.479,58 5.843,59 2.687,60 9.73,61 3.461,62 0.169,63 0.767,64 10.871,65 4.983,66 41.017,67 6.562,68 0.179,69 0.975,70 16.215,71 6.108,72 26.162,73 8.55,74 0.327,75 0.95,76 17.362,77 5.771,78 50.738,79 7.873,80 0.346,81 0.792,82 15.958,83 5.067,84 53.962,85 7.247,86 0.164,87 0.598,88 13.181,89 4.807,90 25.716,91 6.903,92 0.237,93 0.443,94 11.097,95 3.29,96 41.933,97 4.846,98 0.28,99 0.265,100 8.959,101 1.984,102 50.819,103 2.368,104 11,105 29,106 0.306,107 0.665,108 0.766,109 0.831,110 0.855,111 0.855,112 2.963,113 0.903,114 -3.37,115 -3.36,116 -3.21,121 41.9,123 4,144 3,145 2,146 2,148 2,165 1,166 1,167 1,168 2,176 6,179 1,180 6,185 2,187 8,189 2,192 8,197 2,200 5,203 2,205 1,206 5,208 1,209 1,211 4,214 6,216 4,218 2,219 2,224 1,227 6,229 1,232 2,234 1,235 1,239 4,244 6,246 2,247 2,251 1,256 5,269 2,281 288,282 12.069,283 12.069,284 12.069,285 12.069,286 12.069,287 10.452,288 11.992,289 6.962,290 12.19,291 9.851,292 9.851,293 9.851,294 9.851,295 9.851,296 7.351,297 8.53,298 3.277,299 10.054,300 3.321,301 1.404,302 0.863,303 0.516,304 0.387,305 0.387,306 3.639,311 1,312 1,313 269,314 2.449,318 95.959,322 105.983,325 1.068,326 22.442,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 39.5,338 125,339 4.647,340 3.781,341 6.776,342 4.201,343 3.22,344 4.588,345 2.612,346 11.068,347 3.158,348 4.205,349 3.33,350 6.076,351 3.731,352 2.755,353 3.848,355 8.736,356 2.688,357 3.824,358 2.673,359 5.812,360 3.38,361 2.397,362 3.315,364 7.752,365 2.351,366 3.457,367 2.267,368 5.257,369 3.007,370 2.05,371 2.835,373 6.246,374 1.959,375 2.957,376 1.861,377 4.139,378 2.453,379 1.46,380 2.099,382 3.385,383 1.449,384 2.609,385 1.459,386 3.83,387 2.265,388 1.272,389 1.632,391 3.151,392 1.262,393 2.488,394 1.428,395 3.674,396 2.211,397 1.213,398 1.486,400 2.884,401 1.211,402 1.98,403 1,404 3.464,405 1.765,406 0.784,407 0.912,409 1.905,410 0.768,411 1.337,412 1,413 2.911,414 0.95,420 1.025,421 0.123,422 2.511,423 0.621,424 -0.362,425 -0.477,427 -0.925,428 -0.354,429 1,430 -0.224,431 2.311,432 0.241,433 -0.734,434 -0.883,436 -1.9,437 -0.714,438 0.636,439 -0.535,440 2,441 0.123,442 -0.869,443 -1.043,445 -2,446 -0.861,447 0.277,448 -0.696,449 1.871,451 -1,452 -1.571,454 -2.222,455 -1,456 0.14,457 -1.069,458 1.557,459 -0.2,460 -1.187,461 -1.824,463 -3.517,464 -1.171,465 -0.159,466 -1.227,467 1.44,468 -0.497,469 -1.456,470 -2,472 -4.29,473 -1.393,474 8.367,475 0.465,476 0.507,477 0.028,478 25,479 1.389,480 13.5,481 0.75,482 11.5,483 0.639,484 12.041,485 0.669,486 19.233,487 0.62,488 15.729,489 0.874,490 4.552,491 0.253,492 4.112,493 0.228,494 0.127,496 0.406,501 0.4,502 0.983,503 0.713,504 0.866,505 0.543,506 0.85,507 0.392,508 1.198,509 0.711,510 1.086,511 0.317,512 0.987,513 0.609,514 1.184,515 0.795,516 1.046,517 0.438,518 0.963,519 1.01,520 1.073,521 1.115,522 1.08,523 0.947,524 1.105,525 0.845,526 0.94,527 1.134,528 1.022,529 0.828,530 1.102,531 0.528,532 1.003,533 0.867,534 1.169,535 0.582,536 1.106,537 0.805,538 0.944,539 0.85,540 1.035,541 0.744,542 0.963,543 2.8,544 0.648,545 1.457,546 0.678,547 3.011,548 0.797,549 3.5,551 2.444,552 1.5,553 1.431,554 0.5,555 0.363,556 0.165,557 0.054,558 0.031,559 2548,560 7527,561 2.086,562 41.9,563 6,564 3,567 2,568 2,572 1.591,573 1.929,574 2.825,575 0.429,577 1,578 1,579 1,582 50.614,583 1.633,584 3.551,585 4.091,586 4.438,587 4.567,588 4.567,589 2.288,590 3.614,591 4.143,592 2.898,593 443.391,594 7.049,595 3996.89,596 1,597 1,599 1,600 153.58,601 1.481,602 4.09,603 0.175,605 0.084,606 0.048,607 0.057,608 0.028,609 0.028,610 0.016,611 0.011,612 0.016,613 0.463,614 0.67,615 1,616 0.894,617 74.241,618 0.218,619 0.214,620 0.042,621 0.17,622 -0.006,623 0.083,624 0.203,625 -0.132,626 0.1,627 -0.023,628 0.252,629 0.01,630 0.005,631 -0.159,632 0.098,633 -0.048,634 0.075,635 0.031,636 -0.113,637 -0.056,638 -0.171,639 -0.14,640 -0.09,641 -0.164,642 -0.002,643 0.041,644 -0.16,645 -0.084,646 -0.033,647 -0.136,648 0.139,649 -0.135,650 0.127,651 -0.163,652 0.056,653 -0.046,654 0.247,655 -0.087,656 0.23,657 -0.105,658 0.277,659 0.035,660 -0.601,661 0.103,662 -0.212,663 0.172,664 -0.558,665 0.079,666 2.406,667 3.765,668 0.778,669 10.667,670 1.012,671 1.129,672 2.143,673 4.594,674 0.669,675 3.045,676 3.401,677 3.714,678 3.989,679 4.277,680 4.382,681 4.511,682 4.554,683 4.625,684 4.357,685 4.205,686 0.649,687 243.29,688 3.045,689 4.595,690 5.468,691 6.365,692 7.258,693 8.161,694 9.061,695 9.966,696 10.869,697 11.776,698 9.7,702 1,708 1,709 1,714 2,715 3,716 1,720 4,722 11,733 1,735 1,741 31,743 13,744 1,745 20,747 33,748 13,749 9,750 3,751 3,756 3,757 6,767 4,770 4,772 9,773 4,777 2,779 1,782 2,790 1,793 13,794 4,795 2,796 5,802 3,808 0.333,809 2,822 1,829 3,833 2,859 1,868 18,869 1,876 4,893 6.5,899 2,901 9.333,902 5.567,903 3.889,904 1.994,907 2.585,908 1.384,909 1.015,910 2.583,911 9.318,912 3.35,913 4.034,914 4.663,915 5.288,916 5.939,917 6.378,918 6.825,919 7.144,920 7.512,921 7.366,922 0.8,923 31,924 6.649,926 2.932,927 0.026,929 8,931 12.575,933 10.72,936 2.5,937 45,938 0.001,941 129.482,942 54.74,943 55.353,945 50.747,948 54.74,949 180.229,950 55.353,951 5.67,952 10.138,953 61.326,954 16.786,955 16.173,957 129.482,958 50.747,959 129.482,960 110.093,961 50.747,964 129.482,966 50.747,968 15.039,969 72.598,970 22.456,972 129.482,973 106.1,974 54.74,977 129.482,978 26.311,979 34.099,981 100.43,982 129.482,983 106.1,984 54.74,986 0.593,987 0.356,988 0.19,989 0.107,990 16,991 7,992 0.03,993 1,994 2,995 1.286,996 2.966,997 136.624,998 0.286,999 14,1000 73.059,1005 11.27,1006 4.126,1007 1.815,1008 1.448,1009 100.43,1010 4.681,1011 4.535,1015 2.934,1017 32.897,1018 290.322,1019 27.5,1021 -0.406,1024 21.53,1031 31.378,1032 34.99,1034 0.33,1035 0.717,1036 0.826,1037 0.896,1038 0.922,1039 0.922,1040 4.593,1041 0.784,1042 5.476,1043 2.884,1044 4.078,1045 4.718,1046 2.501,1047 6.333,1048 4.036,1049 5.838,1051 7.069,1052 1.905,1053 3.761,1054 4.783,1055 2.361,1056 7.322,1057 3.689,1058 7.185,1059 -0.362,1060 8.763,1062 5.714,1063 7.063,1064 4.154,1065 10.444,1066 5.63,1067 8.57,1068 -0.734,1069 10.515,1070 -0.925,1071 6.196,1072 7.92,1073 4.506,1074 12.227,1075 6.082,1076 9.986,1077 -0.869,1078 12.303,1079 -1.9,1080 7.652,1081 9.72,1082 5.948,1083 14.879,1084 7.528,1085 11.423,1086 -1,1087 14.114,1088 -2,1089 8.497,1090 10.924,1091 6.556,1092 16.995,1093 8.346,1094 12.877,1095 -1.187,1096 15.941,1097 -2.222,1098 9.759,1099 12.544,1100 7.794,1101 19.485,1102 9.596,1103 3.22,1104 -1.456,1105 17.781,1106 -3.517,1107 10.772,1108 13.909,1109 8.548,1110 21.752,1111 10.585,1112 2.755,1113 11.068,1114 19.631,1115 -4.29,1116 11.96,1117 15.46,1118 9.67,1119 24.183,1120 11.759,1121 2.397,1122 8.736,1123 21.489,1124 4.588,1125 13.05,1126 16.903,1127 10.509,1128 26.52,1129 12.827,1130 2.05,1131 7.752,1132 23.353,1133 3.848,1134 14.213,1135 18.428,1136 11.563,1137 28.931,1138 13.974,1139 1.46,1140 6.246,1141 25.223,1142 3.315,1143 15.339,1144 19.909,1145 12.452,1146 31.3,1147 15.081,1148 1.272,1149 3.385,1150 27.097,1151 2.835,1152 16.497,1153 21.426,1154 13.468,1155 33.705,1156 16.22,1157 1.213,1158 3.151,1159 28.976,1160 2.099,1161 17.641,1162 22.925,1163 14.386,1164 36.091,1165 17.345,1166 2530,1167 4475,1168 13.235,1169 20.733,1170 30.333,1171 32.052,1172 31.679,1173 30.347,1174 30.303,1175 41.429,1176 5.225,1177 90.253,1178 29.693,1179 5.592,1180 5.781,1181 6.457,1182 5.243,1183 5.22,1184 7.588,1185 4.612,1186 18.61,1187 5.158,1188 8.504,1189 1.517,1190 1.603,1191 1.584,1192 1.517,1193 1.515,1194 2.071,1195 0.261,1196 4.513,1197 1.485,1198 4.129,1199 4.157,1200 4.098,1201 4.043,1202 7.815,1203 4.051,1204 3.814,1205 3.853,1206 3.759,1207 3.671,1208 6.999,1209 3.67,1210 3.543,1211 3.583,1212 3.464,1213 3.251,1214 5.138,1215 3.291,1216 3.175,1217 3.254,1218 3.059,1219 2.971,1220 4.755,1221 2.97,1222 3.12,1223 3.181,1224 3.002,1225 2.85,1226 4.345,1227 2.903,1228 2.915,1229 3.017,1230 2.706,1231 2.705,1232 3.974,1233 2.71,1234 2.706,1235 2.806,1236 2.504,1237 2.462,1238 3.616,1239 2.469,1240 2.471,1241 2.543,1242 2.327,1243 2.182,1244 3.436,1245 2.222,1246 0.232,1247 0.189,1248 0.339,1249 0.21,1250 0.161,1251 4.647,1252 0.229,1253 3.781,1254 0.131,1255 6.776,1256 0.553,1257 4.201,1258 0.158,1259 3.22,1260 4.588,1261 2.612,1262 11.068,1263 3.158,1264 2.075,1265 2.051,1266 2.154,1267 2.185,1268 1.428,1269 2.172,1270 1.772,1271 1.731,1272 1.948,1273 1.96,1274 1.152,1275 1.941,1276 1.378,1277 1.335,1278 1.519,1279 1.715,1280 0.755,1281 1.648,1282 1.139,1283 1.062,1284 1.441,1285 1.399,1286 0.613,1287 1.404,1288 1.011,1289 0.966,1290 1.212,1291 1.315,1292 0.246,1293 1.311,1294 0.881,1295 0.81,1296 1.115,1297 1.178,1298 0.167,1299 1.196,1300 0.695,1301 0.588,1302 1.049,1303 0.966,1305 1.005,1306 0.409,1307 0.33,1308 0.718,1309 0.707,1311 0.735,1312 3.714,1314 5.056,1316 6.619,1318 8.283,1320 10.001,1326 6.156,1328 4.122,1340 20.128,1341 50.614,1342 110.07,1343 126.825,1344 137.58,1345 141.58,1346 141.58,1347 28.985,1348 6.733,1349 84.73,1350 84.73,1351 18,1352 12.294,1353 3.807,1354 3.087,1355 25.623,1356 47,1357 40,1358 0.295,1359 124.102,1360 209.32,1361 294.568,1362 6322,1364 12.698,1365 0.705,1366 0.547,1367 12.698,1368 9.849,1369 8.665,1370 0.433,1371 0.301,1372 5.951,1373 8.321,1374 5.855,1375 4.822,1376 8.665,1377 6.02,1378 8.044,1379 0.277,1380 0.159,1381 8.044,1382 4.616,1383 6.949,1384 0.174,1385 0.088,1386 6.949,1387 3.502,1388 5.82,1389 0.11,1390 0.048,1391 5.82,1392 2.565,1393 4.853,1394 0.068,1395 0.027,1396 4.853,1397 1.902,1398 0.437,1399 54.584,1400 0.275,1401 17.534,1402 0.889,1403 98,1404 302.074,1405 107.257,1406 293.774,1407 396.2,1408 270,1409 118,1410 300.027,1411 127.316,1412 298.705,1413 435.14,1414 281,1415 7.553}
{0 CHEMBL61849,1 1.172,2 9.87,3 6.529,4 42.625,5 99.949,6 5.859,7 0.44,8 4.008,9 4.155,10 3.374,11 3.577,12 4.846,13 3.493,14 4.61,15 4.831,16 3.685,17 3.988,18 5.35,19 3.861,20 4.905,21 5.18,22 3.771,23 4.125,24 5.601,25 3.97,26 4.903,27 5.185,28 3.706,29 4.09,30 5.595,31 3.928,32 4.851,33 5.119,34 3.646,35 4.075,36 5.532,37 3.907,38 4.883,39 5.16,40 3.513,41 4.073,42 5.53,43 3.875,44 4.887,45 5.187,46 3.335,47 4.007,48 5.456,49 3.769,50 4.801,51 5.124,52 3.131,53 3.853,54 5.326,55 3.597,56 0.066,57 0.738,58 13.169,59 5.503,60 7.701,61 8.02,62 0.125,63 1.23,64 23.162,65 9.355,66 13.934,67 13.806,68 0.187,69 1.542,70 30.287,71 11.512,72 21.786,73 17.368,74 0.238,75 1.533,76 30.347,77 11.068,78 22.81,79 16.871,80 0.188,81 1.464,82 28.788,83 10.914,84 19.82,85 16.459,86 0.19,87 1.474,88 29.405,89 11.424,90 19.64,91 17.061,92 0.15,93 1.397,94 28.573,95 11.95,96 17.436,97 17.422,98 0.143,99 1.235,100 25.796,101 10.639,102 15.691,103 15.582,104 12,105 33,106 0.198,107 0.472,108 0.699,109 0.831,110 0.874,111 0.874,112 3.189,113 1.134,114 -5.37,115 -5.25,116 -4.91,121 39.6,122 2,123 9,127 1,144 3,145 3,146 1,148 2,176 14,180 4,185 3,187 15,192 4,197 3,200 11,206 2,209 1,211 5,214 10,219 1,224 4,227 14,232 1,237 1,239 15,244 1,249 1,251 15,256 1,264 12,269 1,277 11,281 845,282 15.974,283 15.974,284 15.974,285 15.974,286 15.974,287 14.662,288 14.208,289 9.996,290 16.086,291 12.368,292 12.368,293 12.368,294 12.368,295 12.368,296 10.274,297 13.878,298 4.775,299 12.56,300 4.556,301 2.932,302 1.591,303 0.812,304 0.557,305 0.557,306 3.877,312 1,313 487,314 3.162,318 140.178,322 160.174,325 1.388,326 8.685,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 47,338 227,339 4.653,340 3.368,341 6.836,342 4.218,343 3.237,344 4.584,345 0.4,346 11.378,347 3.174,348 3.983,349 2.764,350 6.006,351 3.601,352 2.607,353 3.52,355 8.482,356 2.591,357 3.522,358 2.405,359 5.384,360 3.156,361 2.193,362 2.908,364 6.717,365 2.12,366 3.46,367 2.237,368 4.953,369 3.058,370 2.074,371 2.799,373 5.782,374 2.028,375 2.863,376 1.885,377 4.135,378 2.84,379 1.844,380 1.869,382 3.717,383 1.836,384 2.62,385 1.638,386 3.954,387 2.455,388 1.474,389 1.657,391 3.384,392 1.445,393 2.516,394 1.449,395 3.762,396 2.408,397 1.414,398 1.517,400 3.156,401 1.405,402 2.452,403 1.397,404 3.591,405 2.252,406 1.256,407 1.451,409 2.897,410 1.251,411 2.065,412 1.101,413 3.324,414 1.976,415 1,416 1.046,418 2.14,419 0.974,420 1.794,421 0.723,422 3,423 1.631,424 0.644,425 0.716,427 1.301,428 0.634,429 1.474,430 0.39,431 2.745,432 1.238,433 0.268,434 0.308,436 0.564,437 0.26,438 1.072,439 0.067,440 2.527,441 0.906,442 -0.075,443 -0.084,445 -0.148,446 -0.073,447 0.98,448 -0.185,449 2.349,450 0.67,451 -0.308,452 -0.368,454 -0.727,455 -0.3,456 0.633,457 -0.533,458 2.19,459 0.358,460 -0.629,461 -0.683,463 -1.262,464 -0.62,465 0.42,466 -0.565,467 2,468 0.25,469 -0.745,470 -0.878,472 -1.95,473 -0.74,474 11.3,475 0.491,476 0.38,477 0.017,478 24,479 1.043,480 10.5,481 0.457,482 13.5,483 0.587,484 24.167,485 1.051,486 25.9,487 0.489,488 13.129,489 0.571,490 3.711,491 0.161,492 7.581,493 0.33,494 0.088,496 0.265,501 1.025,502 1.284,503 1.069,504 1.172,505 0.994,506 1.132,507 0.994,508 1.224,509 1.029,510 1.121,511 0.783,512 1.085,513 1.126,514 1.083,515 0.913,516 0.954,517 0.994,518 0.927,519 1.464,520 0.995,521 1.006,522 0.928,523 1.26,524 0.94,525 1.439,526 1.075,527 1.097,528 1.032,529 1.185,530 1.044,531 1.493,532 1.031,533 1.213,534 1.087,535 1.407,536 1.126,537 0.788,538 1.044,539 1.069,540 1.103,541 0.936,542 1.101,543 0.81,544 0.899,545 0.971,546 0.965,547 0.89,548 0.975,549 3,550 0.078,551 2,552 1.25,553 1.391,554 0.521,555 0.422,556 0.208,557 0.143,558 0.097,559 5433,560 8250,561 2.093,562 56.6,563 20,564 5,567 1,568 2,569 2,572 1.66,573 2,574 3.202,575 -0.455,582 62.134,583 1.172,584 2.796,585 4.137,586 4.916,587 5.171,588 5.171,589 2.616,590 4.35,591 4.483,592 3.394,593 858.792,594 7.74,595 9767.47,600 303.58,601 1.214,602 4.473,603 0.12,604 0.007,605 0.061,606 0.036,607 0.043,608 0.017,609 0.017,610 0.01,611 0.009,612 0.007,613 0.327,614 0.5,615 1,616 1.88,617 107.428,618 0.043,619 -0.031,620 0.053,621 0.018,622 0.064,623 0.033,624 0.064,625 -0.105,626 0.025,627 -0.038,628 0.189,629 -0.014,630 0.098,631 -0.048,632 0.105,633 0.038,634 0.152,635 0.066,636 0.045,637 0.054,638 0.025,639 0.035,641 0.03,642 -0.112,643 -0.018,644 -0.068,645 -0.039,646 -0.08,647 -0.049,648 -0.258,649 0.005,650 -0.2,651 -0.1,652 -0.293,653 -0.138,654 -0.059,655 -0.097,656 -0.114,657 -0.115,658 -0.11,659 -0.117,660 -0.047,661 0.01,662 -0.034,663 -0.012,664 -0.071,665 -0.02,666 0.51,667 1.946,668 0.609,669 20.749,670 0.973,671 1.128,672 4.141,673 17.15,674 0.635,675 3.258,676 3.526,677 3.807,678 4.111,679 4.419,680 4.5,681 4.635,682 4.745,683 4.804,684 4.635,685 5.752,686 0.574,687 310.53,688 3.258,689 4.762,690 5.602,691 6.472,692 7.347,693 8.236,694 9.127,695 10.025,696 10.925,697 11.829,698 3.8,703 1,708 1,714 2,715 3,716 1,720 4,722 11,734 1,741 53,743 11,744 1,745 25,747 55,748 21,749 9,750 3,751 3,756 3,757 6,763 2,767 4,770 9,772 9,773 12,793 30,794 2,795 1,796 2,802 2,808 0.333,822 1,829 3,833 2,859 1,864 2,868 23,876 10,877 1,901 11.5,902 9.95,903 5.278,904 3.982,907 2.422,908 1.34,909 0.977,910 5.669,911 9.547,912 3.45,913 4.016,914 4.635,915 5.279,916 5.927,917 6.285,918 6.671,919 7.034,920 7.336,921 7.166,922 1,923 35,924 8.577,926 3.506,927 0.026,929 7.261,931 17.558,933 14.715,936 1.761,937 40.5,938 0.002,941 341.362,942 87.597,943 34.796,948 87.597,949 341.362,950 34.796,951 17.65,952 24.916,953 28.429,954 34.796,955 16.602,957 341.362,959 341.362,960 122.394,964 317.82,965 23.542,968 47.468,969 40.13,970 34.796,972 341.362,973 34.796,974 87.597,977 341.362,978 41.518,979 46.079,980 18.011,981 16.786,982 341.362,983 34.796,984 87.597,986 0.554,987 0.319,988 0.183,989 0.11,990 15,991 6,992 0.127,993 7,994 2,995 1.286,996 3.566,997 180.129,998 0.286,999 14,1000 102.042,1005 16.455,1006 7.923,1007 3.926,1008 2.476,1009 34.796,1010 6.668,1011 4.946,1015 5.522,1017 18.011,1018 463.756,1019 30.5,1031 51.574,1032 59.809,1034 0.205,1035 0.488,1036 0.722,1037 0.858,1038 0.903,1039 0.903,1040 4.661,1041 1.256,1042 5.549,1043 3.156,1044 4.205,1045 4.7,1046 0.278,1047 6.347,1048 4.172,1049 5.829,1050 1,1051 7.086,1052 2.897,1053 3.611,1054 4.559,1056 7.248,1057 3.561,1058 7.128,1059 0.644,1060 8.736,1061 2.14,1062 5.753,1063 6.949,1064 0.05,1065 10.423,1066 5.685,1067 8.475,1068 0.268,1069 10.459,1070 1.301,1071 6.066,1072 7.717,1074 12.234,1075 5.978,1076 9.864,1077 -0.075,1078 12.231,1079 0.564,1080 7.624,1081 9.576,1082 0.008,1083 14.917,1084 7.52,1085 11.285,1086 -0.308,1087 14.036,1088 -0.148,1089 8.395,1090 10.751,1092 17.091,1093 8.269,1094 12.729,1095 -0.629,1096 15.866,1097 -0.727,1098 9.709,1099 12.406,1100 0.001,1101 19.61,1102 9.566,1103 3.237,1104 -0.745,1105 17.713,1106 -1.262,1107 10.701,1108 13.77,1110 21.932,1111 10.536,1112 2.607,1113 11.378,1114 19.573,1115 -1.95,1116 11.918,1117 15.342,1119 24.394,1120 11.736,1121 2.193,1122 8.482,1123 21.445,1124 4.584,1125 13.01,1126 16.792,1128 26.778,1129 12.806,1130 2.074,1131 6.717,1132 23.324,1133 3.52,1134 14.193,1135 18.332,1137 29.219,1138 13.97,1139 1.844,1140 5.782,1141 25.21,1142 2.908,1143 15.33,1144 19.821,1146 31.629,1147 15.085,1148 1.474,1149 3.717,1150 27.102,1151 2.799,1152 16.503,1153 21.349,1155 34.063,1156 16.238,1157 1.414,1158 3.384,1159 28.998,1160 1.869,1161 17.658,1162 22.855,1164 36.485,1165 17.372,1166 5392,1167 6793,1168 16.989,1169 33.671,1170 35.964,1171 36.214,1172 37.295,1173 36.017,1174 36.022,1175 44.75,1176 0.8,1177 99.034,1178 35.437,1179 5.601,1180 5.368,1181 6.799,1182 5.259,1183 5.237,1184 7.584,1185 0.8,1186 18.911,1187 5.174,1188 8.921,1189 1.439,1190 1.449,1191 1.492,1192 1.441,1193 1.441,1194 1.79,1195 0.032,1196 3.961,1197 1.417,1198 4.12,1199 4.15,1200 4.081,1201 4.05,1202 4.965,1203 4.054,1204 3.769,1205 3.834,1206 3.646,1207 3.675,1208 4.42,1209 3.662,1210 3.749,1211 3.799,1212 3.592,1213 3.637,1214 4.271,1215 3.617,1216 3.541,1217 3.623,1218 3.362,1219 3.378,1220 4.147,1221 3.362,1222 3.348,1223 3.419,1224 3.192,1225 3.217,1226 4.015,1227 3.203,1228 3.217,1229 3.305,1230 3.06,1231 3.037,1232 3.869,1233 3.032,1234 3.082,1235 3.171,1236 2.853,1237 2.913,1238 3.648,1239 2.885,1240 2.988,1241 3.074,1242 2.775,1243 2.836,1244 3.589,1245 2.81,1246 0.186,1247 0.135,1248 0.273,1249 0.169,1250 0.129,1251 4.653,1252 0.183,1253 3.368,1254 0.016,1255 6.836,1256 0.455,1257 4.218,1258 0.127,1259 3.237,1260 4.584,1261 0.4,1262 11.378,1263 3.174,1264 2.079,1265 2.055,1266 2.164,1267 2.167,1268 1.44,1269 2.168,1270 1.781,1271 1.731,1272 2.036,1273 1.942,1274 1.377,1275 1.978,1276 1.771,1277 1.713,1278 1.968,1279 1.89,1280 1.191,1281 1.92,1282 1.554,1283 1.478,1284 1.848,1285 1.759,1286 1.114,1287 1.793,1288 1.358,1289 1.294,1290 1.62,1291 1.546,1292 0.81,1293 1.577,1294 1.215,1295 1.132,1296 1.541,1297 1.45,1298 0.746,1299 1.484,1300 1.117,1301 1.032,1302 1.456,1303 1.33,1304 0.712,1305 1.378,1306 1.024,1307 0.944,1308 1.337,1309 1.228,1310 0.486,1311 1.272,1312 3.932,1314 5.209,1316 6.708,1318 8.329,1320 10.024,1322 4.448,1328 12.66,1329 3.78,1340 30.418,1341 62.134,1342 148.207,1343 219.257,1344 260.56,1345 274.07,1346 274.07,1347 31.519,1348 7.125,1349 24.92,1350 24.92,1351 18,1352 12.35,1353 3.585,1354 2.7,1355 36.794,1356 73,1357 112,1358 0.237,1359 188.981,1360 321.78,1361 452.874,1362 11297,1364 16.071,1365 0.699,1366 0.641,1367 16.071,1368 14.75,1369 11.292,1370 0.452,1371 0.378,1372 9.418,1373 11.163,1374 9.124,1375 7.681,1376 11.292,1377 9.453,1378 9.507,1379 0.288,1380 0.212,1381 9.507,1382 6.981,1383 7.875,1384 0.179,1385 0.114,1386 7.875,1387 4.999,1388 6.692,1389 0.112,1390 0.061,1391 6.692,1392 3.682,1393 5.902,1394 0.072,1395 0.034,1396 5.902,1397 2.79,1398 0.366,1399 68.615,1400 0.243,1401 22.58,1402 0.662,1403 116,1404 211.978,1405 119.775,1406 216.192,1407 313.34,1408 206,1409 135,1410 243.507,1411 139.33,1412 251.118,1413 370.6,1414 239,1415 6.409}
{0 CHEMBL61850,1 1.471,2 6.125,3 3.538,4 12.52,5 69.361,6 9.558,7 0.611,8 3.472,9 3.592,10 3.269,11 3.147,12 4.482,13 3.085,14 4.013,15 4.176,16 3.722,17 3.586,18 4.949,19 3.49,20 4.306,21 4.521,22 3.801,23 3.715,24 5.219,25 3.59,26 4.261,27 4.49,28 3.684,29 3.573,30 5.242,31 3.438,32 4.141,33 4.4,34 3.403,35 3.408,36 4.998,37 3.225,38 3.943,39 4.224,40 3.42,41 3.188,42 4.675,43 2.94,44 3.617,45 3.91,46 2.995,47 2.846,48 4.226,49 2.495,50 2.912,51 3.212,52 2.339,53 2.132,54 3.495,55 1.708,56 0.029,57 0.402,58 4.133,59 2.556,60 4.925,61 3.453,62 0.037,63 0.672,64 9.616,65 4.977,66 6.32,67 6.687,68 0.105,69 0.89,70 23.668,71 7.097,72 13.737,73 9.121,74 0.182,75 0.874,76 19.801,77 6.077,78 22.75,79 7.999,80 0.137,81 0.749,82 15.357,83 5.596,84 19.099,85 7.431,86 0.101,87 0.553,88 17.223,89 5.52,90 13.893,91 7.295,92 0.08,93 0.357,94 28.566,95 5.244,96 9.228,97 6.039,98 0.058,99 0.154,100 22.649,101 3.066,102 5.688,103 3.162,104 5,105 26,106 0.284,107 0.674,108 0.772,109 0.843,110 0.87,111 0.87,112 2.857,113 1.069,114 -4.1,115 -4.05,116 -3.83,119 1,121 44.8,123 4,144 3,145 2,146 2,148 2,165 1,166 1,167 1,176 6,180 4,185 2,187 10,189 2,192 3,197 2,200 6,203 2,206 3,208 1,209 1,211 4,214 7,216 4,224 1,227 6,229 1,237 1,239 6,241 1,251 3,264 1,281 166,282 10.861,283 10.861,284 10.861,285 10.861,286 10.861,287 9.497,288 8.683,289 6.32,290 11.09,291 8.883,292 8.883,293 8.883,294 8.883,295 8.883,296 6.781,297 4.062,298 3.004,299 9.331,300 3.387,301 1.362,302 0.854,303 0.483,304 0.345,305 0.345,306 3.532,311 1,312 1,313 215,314 1.732,318 78.746,322 87.143,325 0.906,326 9.604,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 32.75,338 98,339 4.637,340 3.345,341 6.773,342 4.193,343 3.213,344 4.573,346 11.057,347 3.146,348 3.986,349 2.915,350 6.003,351 3.576,352 2.609,353 3.528,355 8.475,356 2.526,357 3.554,358 2.517,359 5.335,360 3.122,361 2.193,362 2.938,364 6.553,365 2.023,366 3.348,367 2.189,368 4.89,369 2.853,370 1.95,371 2.685,373 5.528,374 1.65,375 2.635,376 1.478,377 4.119,378 2.426,379 1.435,380 1.68,382 3.383,383 1.409,384 2.488,385 1.433,386 3.708,387 2.249,388 1.256,389 1.488,391 3.067,392 1.245,393 2.004,394 1.054,395 3.484,396 1.812,397 0.844,398 0.951,400 2.019,401 0.798,402 1.337,403 0.298,404 2.911,405 0.95,411 1.127,412 0.116,413 2.543,414 0.681,415 -0.193,416 -0.243,418 -0.462,419 -0.12,420 0.678,421 -0.457,422 2.342,423 0.278,424 -0.632,425 -0.75,427 -1.622,428 -0.522,429 0.298,430 -0.653,431 2,432 0.123,433 -0.867,434 -0.973,436 -2.12,437 -0.849,438 0.173,439 -0.932,440 1.835,441 -0.193,442 -1.134,443 -1.508,445 -3.083,446 -0.928,447 -0.023,448 -1.113,449 1.518,450 -0.466,451 -1.279,452 -1.624,454 -3.589,455 -1.194,456 -0.288,457 -1.39,458 1.333,459 -0.663,460 -1.565,461 -1.942,463 -4.413,464 -1.496,465 -0.5,466 -1.747,467 1.154,468 -0.898,469 -1.831,470 -2.199,472 -5.447,473 -1.741,474 8.633,475 0.54,476 0.418,477 0.026,478 20.25,479 1.266,480 10.5,481 0.656,482 9.75,483 0.609,484 13.331,485 0.833,486 15.967,487 0.551,488 9.8,489 0.612,490 3.327,491 0.208,492 4.427,493 0.277,494 0.201,496 0.347,501 0.883,502 0.961,503 0.472,504 0.672,505 1.073,506 0.766,507 0.612,508 1.126,509 0.514,510 0.795,511 0.52,512 0.87,513 0.984,514 1.129,515 0.809,516 0.919,517 0.844,518 0.92,519 1.182,520 1.136,521 0.675,522 0.944,523 1.296,524 1.037,525 1.32,526 0.899,527 0.53,528 0.772,529 1.642,530 0.989,531 0.524,532 0.905,533 0.748,534 0.92,535 0.729,536 1.003,537 0.974,538 0.838,539 2.208,540 1.503,541 0.687,542 1.214,543 1.633,544 0.708,545 3.893,546 2.135,547 0.93,548 1.374,549 3,551 2,552 1.375,553 1.271,554 0.375,555 0.2,556 0.047,557 0.02,559 1846,560 4697,561 2.135,562 44.8,563 6,564 3,567 2,568 2,572 1.557,573 2,574 2.657,575 0.39,577 1,579 1,582 42.67,583 1.471,584 3.496,585 4.004,586 4.375,587 4.513,588 4.513,589 2.149,590 2.906,591 3.977,592 2.676,593 321.104,594 6.719,595 2654.04,596 1,597 1,598 1,599 1,600 140.881,601 1.406,602 3.933,603 0.167,605 0.077,606 0.051,607 0.061,608 0.027,609 0.022,610 0.012,611 0.02,613 0.436,614 1,615 1,616 0.625,617 62.136,618 -0.108,619 0.126,620 -0.003,621 0.08,622 -0.127,623 0.08,624 0.066,625 -0.123,626 0.033,627 0.015,628 0.142,629 0.03,630 -0.018,631 -0.13,632 -0.028,633 -0.03,634 0.064,635 0.008,636 0.012,637 -0.076,638 -0.018,639 -0.118,640 0.001,641 -0.152,642 -0.263,643 0.123,644 0.019,645 0.047,646 -0.357,647 -0.078,648 0.199,649 -0.038,650 0.113,651 0.06,652 0.081,653 0.019,654 -0.034,655 -0.072,656 -0.173,657 -0.118,658 -0.042,659 -0.052,660 -0.22,661 -0.006,662 -0.469,663 -0.291,664 -0.105,665 -0.075,666 0.729,667 2.235,668 0.875,669 7.625,670 0.991,671 1.115,672 2.869,673 8.231,674 0.722,675 2.944,676 3.296,677 3.611,678 3.912,679 4.19,680 4.248,681 4.29,682 4.369,683 4.357,684 4.025,685 3.691,686 0.663,687 277.18,688 2.944,689 4.489,690 5.361,691 6.26,692 7.151,693 8.055,694 8.952,695 9.859,696 10.758,697 11.666,698 6.9,702 1,708 1,714 2,715 3,716 1,720 4,722 11,733 1,740 1,741 29,743 11,744 1,745 18,746 1,747 31,748 13,749 9,750 3,751 3,756 3,757 6,767 4,770 4,772 9,773 4,790 1,793 13,794 2,795 2,796 3,797 1,802 2,808 0.333,822 1,829 3,833 2,859 1,863 1,868 16,869 1,876 4,892 1,901 8,902 5.176,903 3.444,904 1.913,907 2.409,908 1.37,909 1.052,910 2.452,911 8.915,912 3.199,913 3.882,914 4.543,915 5.193,916 5.826,917 6.189,918 6.518,919 6.88,920 7.141,921 6.864,922 1,923 27,924 5.918,926 2.546,927 0.026,929 7.484,931 11.715,933 10.105,936 1.984,937 31.75,938 0.006,941 129.482,942 55.038,943 95.637,948 100.992,949 129.482,950 49.683,952 10.138,953 61.326,954 16.786,955 16.471,957 129.482,958 45.954,959 129.482,960 104.721,963 45.954,964 129.482,968 15.039,969 72.896,970 16.786,971 45.954,972 129.482,973 49.683,974 100.992,977 129.482,978 26.609,979 28.429,980 45.954,981 49.683,982 129.482,983 49.683,984 100.992,986 0.589,987 0.354,988 0.2,989 0.114,990 15,991 6,994 2,995 1.286,996 2.804,997 116.871,998 0.286,999 14,1000 64,1005 10.246,1006 3.829,1007 1.679,1008 2.094,1009 49.683,1010 6.118,1011 4.727,1015 4.477,1017 32.897,1018 280.157,1019 23.5,1031 28.734,1032 32.329,1034 0.303,1035 0.72,1036 0.824,1037 0.901,1038 0.929,1039 0.929,1040 4.44,1042 5.361,1043 2.019,1044 3.97,1045 4.564,1047 6.213,1048 3.884,1049 5.674,1050 -0.193,1051 6.944,1053 3.611,1054 4.559,1056 7.177,1057 3.434,1058 7.012,1059 -0.632,1060 8.629,1061 -0.462,1062 5.595,1063 6.9,1065 10.32,1066 5.458,1067 8.389,1068 -0.867,1069 10.374,1070 -1.622,1071 6.043,1072 7.707,1074 12.104,1075 5.852,1076 9.799,1077 -1.134,1078 12.157,1079 -2.12,1080 7.521,1081 9.554,1083 14.776,1084 7.35,1085 11.233,1086 -1.279,1087 13.967,1088 -3.083,1089 8.353,1090 10.736,1092 16.904,1093 8.15,1094 12.685,1095 -1.565,1096 15.796,1097 -3.589,1098 9.63,1099 12.387,1101 19.409,1102 9.429,1103 3.213,1104 -1.831,1105 17.64,1106 -4.413,1107 10.642,1108 13.75,1110 21.687,1111 10.418,1112 2.609,1113 11.057,1114 19.494,1115 -5.447,1116 11.841,1117 15.32,1119 24.128,1120 11.609,1121 2.193,1122 8.475,1123 21.358,1124 4.573,1125 12.936,1126 16.767,1128 26.472,1129 12.683,1130 1.95,1131 6.553,1132 23.23,1133 3.528,1134 14.108,1135 18.305,1137 28.89,1138 13.84,1139 1.435,1140 5.528,1141 25.107,1142 2.938,1143 15.24,1144 19.792,1146 31.264,1147 14.952,1148 1.256,1149 3.383,1150 26.99,1151 2.685,1152 16.403,1153 21.317,1155 33.672,1156 16.098,1157 0.844,1158 3.067,1159 28.876,1160 1.68,1161 17.552,1162 22.821,1164 36.061,1165 17.227,1166 1818,1167 2987,1168 12.137,1169 20.932,1170 27.089,1171 27.577,1172 28.226,1173 27.248,1174 27.001,1175 35.684,1177 80.164,1178 25.594,1179 5.582,1180 5.345,1181 6.454,1182 5.234,1183 5.213,1184 7.573,1186 18.595,1187 5.146,1188 6.216,1189 1.505,1190 1.532,1191 1.568,1192 1.514,1193 1.5,1194 1.982,1196 4.454,1197 1.422,1198 4.106,1199 4.134,1200 6.88,1201 4.046,1202 5.142,1203 4.045,1204 3.735,1205 3.779,1206 4.041,1207 3.672,1208 4.777,1209 3.649,1210 3.309,1211 3.371,1212 3.573,1213 3.221,1214 4.395,1215 3.19,1216 3.141,1217 3.22,1218 3.104,1219 2.97,1220 3.986,1221 2.968,1222 2.924,1223 3.019,1224 3.011,1225 2.784,1226 3.742,1227 2.752,1228 2.718,1229 2.831,1230 2.708,1231 2.612,1232 3.442,1233 2.567,1234 2.651,1235 2.701,1236 2.504,1237 2.405,1238 3.303,1239 2.401,1240 2.042,1241 2.187,1242 2.329,1243 1.78,1244 2.948,1245 1.708,1246 0.258,1247 0.186,1248 0.376,1249 0.233,1250 0.178,1251 4.637,1252 0.254,1253 3.345,1255 6.773,1256 0.614,1257 4.193,1258 0.175,1259 3.213,1260 4.573,1262 11.057,1263 3.146,1264 2.067,1265 2.044,1266 2.143,1267 2.152,1268 1.428,1269 2.154,1270 1.751,1271 1.71,1272 1.919,1273 1.86,1274 1.145,1275 1.89,1276 1.287,1277 1.24,1278 1.479,1279 1.471,1280 0.754,1281 1.483,1282 1.134,1283 1.059,1284 1.413,1285 1.345,1286 0.6,1287 1.377,1288 0.928,1289 0.858,1290 1.193,1291 1.178,1292 0.229,1293 1.196,1294 0.698,1295 0.627,1296 1.072,1297 0.984,1298 0.16,1299 1.025,1300 0.619,1301 0.515,1302 0.857,1303 0.798,1305 0.847,1306 0.058,1308 0.674,1309 0.452,1311 0.537,1312 3.611,1314 4.949,1316 6.512,1318 8.181,1320 9.905,1321 3.472,1326 6.235,1328 4.627,1340 19.229,1341 42.67,1342 101.372,1343 116.127,1344 126.881,1345 130.881,1346 130.881,1347 17.748,1348 6.506,1349 38.91,1350 38.91,1351 18,1352 12.184,1353 3.585,1354 2.7,1355 21.654,1356 39,1357 30,1358 0.322,1359 124.156,1360 202.66,1361 294.701,1362 4766,1363 3.4,1364 11.121,1365 0.695,1366 0.659,1367 12.121,1368 10.549,1369 7.754,1370 0.431,1371 0.356,1372 5.644,1373 7.086,1374 5.471,1375 4.495,1376 8.331,1377 6.413,1378 7.145,1379 0.275,1380 0.201,1381 7.962,1382 5.235,1383 6.227,1384 0.173,1385 0.105,1386 6.752,1387 3.762,1388 5.413,1389 0.11,1390 0.057,1391 5.882,1392 2.785,1393 4.507,1394 0.069,1395 0.033,1396 4.97,1397 2.115,1398 0.467,1399 55.593,1400 0.287,1401 15.571,1402 1.002,1403 88,1404 197.612,1405 156.951,1406 237.719,1407 324.98,1408 222,1409 106,1410 222.395,1411 137.761,1412 241.205,1413 356.4,1414 229,1415 7.18}
{0 CHEMBL61905,1 1.289,2 7.167,3 2.109,4 4.448,5 73.64,6 6.378,7 0.632,8 3.692,9 3.823,10 3.136,11 3.22,12 4.702,13 3.167,14 4.224,15 4.429,16 3.435,17 3.591,18 5.105,19 3.521,20 4.448,21 4.644,22 3.51,23 3.796,24 5.306,25 3.671,26 4.669,27 4.935,28 3.49,29 3.829,30 5.442,31 3.679,32 4.656,33 4.898,34 3.353,35 3.839,36 5.48,37 3.672,38 4.647,39 4.945,40 3.086,41 3.748,42 5.362,43 3.509,44 4.443,45 4.791,46 2.804,47 3.389,48 5.088,49 3.149,50 3.764,51 4.033,52 2.359,53 2.907,54 4.571,55 2.707,56 0.043,57 0.507,58 8.994,59 3.65,60 8.614,61 5.137,62 0.158,63 0.816,64 15.799,65 5.558,66 13.822,67 8.03,68 0.162,69 1.007,70 19.36,71 7.879,72 15.778,73 11.172,74 0.184,75 1.167,76 24.329,77 9.199,78 23.259,79 13.279,80 0.251,81 1.142,82 24.274,83 9.124,84 28.5,85 12.863,86 0.124,87 1.096,88 23.243,89 9.811,90 25.306,91 14.088,92 0.143,93 0.823,94 19.115,95 7.562,96 22.835,97 10.917,98 0.072,99 0.442,100 9.629,101 3.946,102 12.831,103 5.534,104 11,105 26,106 0.235,107 0.49,108 0.637,109 0.755,110 0.801,111 0.801,112 2.961,113 0.996,114 -1.1,115 -1.2,116 -1.28,121 42.1,126 3,127 1,144 9,145 1,146 2,176 9,180 1,187 8,189 2,192 2,194 1,200 4,203 4,206 1,214 1,216 3,219 1,227 4,229 1,232 2,239 7,244 2,251 7,256 1,264 4,277 1,281 376,282 12.016,283 12.016,284 12.016,285 12.016,286 12.016,287 10.552,288 13.181,289 7.232,290 12.31,291 9.331,292 9.331,293 9.331,294 9.331,295 9.331,296 7.215,297 18.868,298 3.344,299 9.738,300 3.959,301 2.556,302 1.747,303 1.102,304 0.849,305 0.849,306 3.612,310 1,311 1,312 1,313 266,314 3.082,318 122.107,325 1.074,326 6.181,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 37.5,338 129,339 4.582,340 3.787,341 7.409,342 4.363,343 3.44,344 4.015,345 1.26,346 12.935,347 3.178,348 3.913,349 2.842,350 5.767,351 3.523,352 2.548,353 3.452,354 0.86,355 7.814,356 2.493,357 3.621,358 2.537,359 5.253,360 3.262,361 2.304,362 2.871,363 0.245,364 6.572,365 2.192,366 2.917,367 1.718,368 4.263,369 2.466,370 1.503,371 2.086,373 3.498,374 1.443,375 2.882,376 1.53,377 3.652,378 2.44,379 1.443,380 2.042,382 3.06,383 1.435,384 2.58,385 1.219,386 3.567,387 2.135,388 1.15,389 1.611,391 2.802,392 1.131,393 2.5,394 1,395 3.247,396 2,397 1,398 1.5,400 2.136,401 1,402 1.641,403 0.939,404 3.076,405 1.351,406 0.478,407 0.541,409 0.733,410 0.414,411 1.106,412 0.183,413 2.737,414 0.852,415 -0.119,416 -0.139,418 -0.313,419 -0.116,420 0.732,421 -0.193,422 2.461,423 0.353,424 -0.58,425 -0.698,427 -1.168,428 -0.531,429 0.564,430 -0.6,431 2,432 0.095,433 -0.886,434 -1,436 -2.107,437 -0.864,438 0.5,439 -0.772,440 2,442 -1,443 -1.222,445 -2.347,446 -0.9,447 0.329,448 -0.847,449 1.758,450 -0.033,451 -1,452 -1.275,454 -2.545,455 -0.964,457 -1,458 1.555,459 -0.1,460 -1,461 -1.5,463 -3,464 -1,465 -0.439,466 -1.306,467 1.299,468 -0.707,469 -1.631,470 -2.024,472 -4.226,473 -1.473,474 8.733,475 0.485,476 0.454,477 0.025,478 23.5,479 1.306,480 12.5,481 0.694,482 11,483 0.611,484 12.365,485 0.687,486 19.767,487 0.52,488 15.734,489 0.874,490 5.043,491 0.28,492 3.589,493 0.199,494 0.172,495 0.046,496 0.172,501 0.968,502 1.452,503 0.948,504 1.214,505 0.991,506 1.097,507 1.737,508 0.826,509 1.004,510 0.735,511 1.042,512 0.781,513 0.815,514 1.348,515 1.153,516 1.298,517 0.952,518 1.261,519 1.061,520 1.035,521 0.947,522 0.986,523 0.847,524 0.958,525 1.79,526 1,527 1.321,528 1.052,529 1.605,530 1.136,531 0.409,532 1.037,533 0.983,534 1.117,535 0.797,536 1.102,537 0.658,538 0.611,539 0.624,540 0.653,541 0.688,542 0.643,543 1.076,544 1.034,545 1.106,546 1.113,547 1.301,548 1.121,549 4,551 2.222,552 1.688,553 1.031,554 0.576,555 0.163,556 0.071,557 0.065,558 0.016,559 2483,560 5229,561 1.981,562 52.6,564 20,572 1.591,573 1.846,574 2.861,575 -0.873,577 1,579 1,582 48.983,583 1.289,584 2.692,585 3.5,586 4.146,587 4.399,588 4.399,589 2.261,590 3.419,591 4.143,592 2.965,593 453.637,594 7.053,595 4245.69,596 1,597 1,599 1,600 199.421,601 1.528,602 4.083,603 0.211,605 0.085,606 0.065,607 0.041,608 0.027,609 0.011,610 0.006,611 0.009,612 0.008,613 0.464,614 0.83,615 1,616 0.894,617 75.317,618 0.076,619 -0.272,620 0.069,621 -0.131,622 -0.033,623 -0.049,624 -0.207,625 0.313,626 0.048,627 0.241,628 -0.009,629 0.182,630 0.108,631 -0.277,632 -0.17,633 -0.266,634 -0.095,635 -0.249,636 0.005,637 -0.052,638 0.038,639 -0.028,640 0.102,641 0.004,642 -0.307,643 -0.005,644 -0.309,645 -0.086,646 -0.363,647 -0.182,648 0.048,649 -0.128,650 -0.066,651 -0.14,652 0.004,653 -0.115,654 0.108,655 0.218,656 0.314,657 0.269,658 0.274,659 0.303,660 -0.077,661 -0.12,662 -0.146,663 -0.132,664 -0.147,665 -0.144,666 0.728,667 1.954,668 0.667,669 10.568,670 0.982,671 1.122,672 -0.129,673 0.017,674 0.65,675 2.996,676 3.296,677 3.497,678 3.714,679 3.807,680 3.584,681 3.584,682 3.497,683 3.367,684 3.178,685 4.443,686 0.598,687 242.37,688 2.996,689 4.511,690 5.333,691 6.209,692 7.052,693 7.935,694 8.786,695 9.672,696 10.528,697 11.415,698 2.6,712 1,715 9,720 3,722 12,739 1,741 38,743 12,744 2,745 19,747 39,748 16,749 12,750 3,751 9,756 2,757 2,772 12,773 4,790 1,793 20,794 1,796 2,802 1,803 1,807 1,808 1,809 1,829 2,859 2,864 3,868 18,876 1,878 1,883 1,893 2.6,898 1,901 9.75,902 7.667,903 4.069,904 2.194,907 2.115,908 1.357,909 0.922,910 3.801,911 8.047,912 3.258,913 3.807,914 4.311,915 4.808,916 5.243,917 5.057,918 5.283,919 5.44,920 5.651,921 5.837,922 0.8,923 26,924 6.62,926 2.618,927 0.026,929 7.472,931 12.977,933 10.169,936 1.972,937 35.5,938 0.003,941 235.422,942 126.253,945 11,948 126.253,949 246.422,951 27.676,952 2.106,953 85.286,955 22.186,957 235.422,959 235.422,960 126.253,961 11,964 235.422,965 11,968 2.106,969 124.148,972 235.422,973 11,974 126.253,977 235.422,978 13.291,979 112.962,981 11,982 235.422,983 11,984 126.253,986 0.571,987 0.333,988 0.184,989 0.095,990 12,991 5,992 0.103,993 4,995 1,996 2.961,997 124.107,999 12,1000 69.059,1005 12.811,1006 5.34,1007 2.991,1009 11,1010 18.738,1015 3.468,1018 372.675,1019 25,1031 37.323,1032 42.652,1034 0.246,1035 0.513,1036 0.667,1037 0.79,1038 0.838,1039 0.838,1040 4.466,1041 0.478,1042 5.352,1043 2.136,1044 3.97,1045 4.489,1046 1.598,1047 6.213,1048 3.884,1049 5.675,1050 -0.119,1051 6.95,1052 0.733,1053 3.761,1054 4.182,1055 0.931,1056 7.573,1057 3.547,1058 6.987,1059 -0.58,1060 8.682,1061 -0.313,1062 5.666,1063 6.621,1064 1.592,1065 10.612,1066 5.454,1067 8.342,1068 -0.886,1069 10.5,1070 -1.168,1071 6.312,1072 7.089,1073 1.381,1074 12.794,1075 5.946,1076 9.732,1077 -1,1078 12.373,1079 -2.107,1080 7.755,1081 9.032,1082 1.781,1083 15.484,1084 7.377,1085 11.149,1086 -1,1087 14.284,1088 -2.347,1089 8.755,1090 9.887,1091 1.783,1092 17.921,1093 8.237,1094 12.586,1095 -1,1096 16.22,1097 -2.545,1098 10.046,1099 11.584,1100 2.08,1101 20.521,1102 9.487,1103 3.44,1104 -1.631,1105 18.173,1106 -3,1107 11.188,1108 12.656,1109 2.192,1110 23.04,1111 10.51,1112 2.548,1113 12.935,1114 20.139,1115 -4.226,1116 12.433,1117 14.216,1118 2.446,1119 25.613,1120 11.693,1121 2.304,1122 7.814,1123 22.115,1124 4.015,1125 13.631,1126 15.415,1127 2.615,1128 28.159,1129 12.788,1130 1.503,1131 6.572,1132 24.097,1133 3.452,1134 14.865,1135 16.898,1136 2.852,1137 30.724,1138 13.949,1139 1.443,1140 3.498,1141 26.084,1142 2.871,1143 16.084,1144 18.172,1145 3.05,1146 33.279,1147 15.076,1148 1.15,1149 3.06,1150 28.075,1151 2.086,1152 17.317,1153 19.612,1154 3.282,1155 35.84,1156 16.23,1157 1,1158 2.802,1159 30.068,1160 2.042,1161 18.545,1162 20.931,1163 3.495,1164 38.399,1165 17.372,1166 2553,1167 3755,1168 12.307,1169 24.694,1170 28.218,1171 27.772,1172 28.675,1173 27.755,1174 27.731,1175 36.237,1176 4.73,1177 79.097,1178 26.572,1179 5.413,1180 5.787,1181 7.21,1182 5.363,1183 5.44,1184 7.015,1185 2.12,1186 20.721,1187 5.178,1188 8.161,1189 1.485,1190 1.462,1191 1.509,1192 1.461,1193 1.46,1194 1.907,1195 0.249,1196 4.163,1197 1.399,1198 4.023,1199 4.067,1200 3.957,1201 3.916,1202 4.878,1203 3.919,1204 3.858,1205 3.887,1206 3.788,1207 3.796,1208 4.744,1209 3.791,1210 3.558,1211 3.633,1212 3.422,1213 3.361,1214 4.399,1215 3.365,1216 3.249,1217 3.315,1218 3.062,1219 2.968,1220 4.223,1221 2.977,1222 2.983,1223 3.063,1224 2.802,1225 2.849,1226 3.674,1227 2.828,1228 2.874,1229 3.009,1230 2.687,1231 2.735,1232 3.653,1233 2.715,1234 2.854,1235 2.925,1236 2.611,1237 2.666,1238 3.571,1239 2.643,1240 2.795,1241 2.869,1242 2.499,1243 2.618,1244 3.467,1245 2.57,1246 0.241,1247 0.199,1248 0.39,1249 0.23,1250 0.181,1251 4.582,1252 0.211,1253 3.787,1254 0.066,1255 7.409,1256 0.681,1257 4.363,1258 0.167,1259 3.44,1260 4.015,1261 1.26,1262 12.935,1263 3.178,1264 1.97,1265 1.934,1266 2.096,1267 2.113,1268 1.31,1269 2.11,1270 1.863,1271 1.836,1272 1.987,1273 1.95,1274 1.069,1275 1.964,1276 1.533,1277 1.455,1278 1.784,1279 1.75,1280 0.882,1281 1.766,1282 1.197,1283 1.124,1284 1.573,1285 1.512,1286 0.574,1287 1.532,1288 1.017,1289 0.943,1290 1.417,1291 1.239,1292 0.512,1293 1.308,1294 0.934,1295 0.821,1296 1.35,1297 1.218,1298 0.469,1299 1.268,1300 0.886,1301 0.804,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.827,1307 0.759,1308 1.123,1309 1.009,1310 0.18,1311 1.052,1312 3.664,1314 4.963,1316 6.479,1318 8.088,1320 9.744,1322 6.122,1328 0.946,1330 5.454,1335 0.772,1340 22.741,1341 48.983,1342 102.309,1343 133.018,1344 157.547,1345 167.157,1346 167.157,1347 22.216,1348 5.932,1349 9.23,1350 9.23,1351 12,1352 11.953,1353 3.7,1354 2.807,1355 30.814,1356 46,1357 46,1358 0.332,1359 144.151,1360 244.11,1361 343.488,1362 2272,1364 13.01,1365 0.723,1366 0.628,1367 13.01,1368 11.312,1369 8.632,1370 0.454,1371 0.332,1372 6.212,1373 8.348,1374 5.929,1375 5.052,1376 8.632,1377 6.308,1378 7.756,1379 0.298,1380 0.202,1381 7.756,1382 5.247,1383 5.977,1384 0.187,1385 0.104,1386 5.977,1387 3.325,1388 5.012,1389 0.125,1390 0.06,1391 5.012,1392 2.405,1393 3.756,1394 0.085,1395 0.035,1396 3.756,1397 1.532,1398 0.496,1399 53.729,1400 0.285,1401 17.854,1402 0.979,1403 90,1404 202.068,1405 95.321,1406 199.424,1407 276.31,1408 188,1409 103,1410 203.799,1411 110.042,1412 213.075,1413 302.84,1414 197,1415 5}
{0 CHEMBL61929,1 1.489,2 7.211,3 2.757,4 7.602,5 74.665,6 6.982,7 0.524,8 3.715,9 3.832,10 3.234,11 3.229,12 4.773,13 3.209,14 4.266,15 4.442,16 3.582,17 3.626,18 5.216,19 3.586,20 4.454,21 4.643,22 3.737,23 3.784,24 5.45,25 3.73,26 4.525,27 4.727,28 3.644,29 3.772,30 5.545,31 3.691,32 4.56,33 4.8,34 3.422,35 3.681,36 5.495,37 3.559,38 4.402,39 4.663,40 3.151,41 3.485,42 5.246,43 3.33,44 4.244,45 4.522,46 2.834,47 3.197,48 5.037,49 3.044,50 3.922,51 4.173,52 2.377,53 2.881,54 4.711,55 2.71,56 0.024,57 0.523,58 8.358,59 3.543,60 7.944,61 4.687,62 0.153,63 0.827,64 15.772,65 5.964,66 15.072,67 8.022,68 0.22,69 1.028,70 18.987,71 6.946,72 19.792,73 9.821,74 0.225,75 1.084,76 20.631,77 7.149,78 28.675,79 10.236,80 0.361,81 1.02,82 22.399,83 7.326,84 36.407,85 10.571,86 0.207,87 0.846,88 19.03,89 6.652,90 25.669,91 9.679,92 0.238,93 0.665,94 16.937,95 5.238,96 23.829,97 7.58,98 0.211,99 0.464,100 12.242,101 3.857,102 18.497,103 5.314,104 14,105 30,106 0.272,107 0.609,108 0.737,109 0.786,110 0.816,111 0.825,112 3.013,113 0.939,114 -2.85,115 -2.86,116 -2.77,121 40.5,123 4,126 2,144 2,145 2,146 3,148 2,165 1,166 1,167 1,176 5,180 6,185 2,187 6,189 2,191 1,192 6,197 2,200 5,203 2,205 1,206 2,208 1,209 1,211 3,214 5,216 3,218 1,219 1,221 1,222 1,224 1,227 5,229 1,232 3,234 1,235 1,239 2,244 4,256 2,281 327,282 13.102,283 13.102,284 13.102,285 13.102,286 13.102,287 11.789,288 14.271,289 7.54,290 13.511,291 10.226,292 10.226,293 10.226,294 10.226,295 10.226,296 8.023,297 11.326,298 3.382,299 10.709,300 3.721,301 1.873,302 1.176,303 0.906,304 0.744,305 0.689,306 3.691,310 1,311 1,312 1,313 293,314 2.345,318 103.804,322 114.545,325 1.086,326 15.442,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 41,338 137,339 4.665,340 3.381,341 6.792,342 4.219,343 3.241,344 4.608,345 0.86,346 11.143,347 3.17,348 4.157,349 3.134,350 6.209,351 3.773,352 2.817,353 3.712,354 0.86,355 9.236,356 2.694,357 3.686,358 2.541,359 5.839,360 3.307,361 2.338,362 3.089,364 7.841,365 2.251,366 3.486,367 2.285,368 5.29,369 3.041,370 2.087,371 2.882,373 6.405,374 1.986,375 2.866,376 2.125,377 4.519,378 2.525,379 1.599,380 1.965,382 4.411,383 1.48,384 2.501,385 1.486,386 3.885,387 2.417,388 1.427,389 1.501,391 3.075,392 1.408,393 2.171,394 1.383,395 3.67,396 2.01,397 1.059,398 1.142,400 2.62,401 0.998,402 1.796,403 1.036,404 3.319,405 1.54,406 0.624,407 0.711,409 1.306,410 0.567,411 1.527,412 0.901,413 2.893,414 1.237,415 0.381,416 0.419,418 0.549,419 0.323,420 1.267,421 0.263,422 2.675,423 0.927,429 0.935,430 -0.074,431 2.438,432 0.594,433 -0.347,434 -0.417,436 -0.716,437 -0.323,438 0.62,439 -0.507,440 2.394,441 0.218,442 -0.74,443 -0.866,445 -1.854,446 -0.701,447 0.306,448 -0.602,449 2,450 0.144,451 -0.841,452 -1,454 -2.142,455 -0.822,456 0.169,457 -0.748,458 1.699,459 -0.106,460 -1.051,461 -1.231,463 -2.69,464 -0.975,465 -0.137,466 -1.145,467 1.518,468 -0.461,469 -1.39,470 -1.723,472 -3.905,473 -1.293,474 8.967,475 0.472,476 0.431,477 0.023,478 23.75,479 1.25,480 11.5,481 0.605,482 12.25,483 0.645,484 14.909,485 0.785,486 21.033,487 0.568,488 15.206,489 0.8,490 4.51,491 0.237,492 4.731,493 0.249,494 0.156,496 0.39,501 0.926,502 1.227,503 0.846,504 1.128,505 1.019,506 0.99,507 1.238,508 0.999,509 0.833,510 0.851,511 0.884,512 0.8,513 0.795,514 1.197,515 0.844,516 1.018,517 0.774,518 0.946,519 0.945,520 1.24,521 1.109,522 1.201,523 1.151,524 1.173,525 1.121,526 0.982,527 1.161,528 1.028,529 1.281,530 1.085,531 0.791,532 1.065,533 1.042,534 1.143,535 0.869,536 1.131,537 1.372,538 0.844,539 1.109,540 0.916,541 1.316,542 0.963,543 1.824,544 0.911,545 1.432,546 1.056,547 1.63,548 1.178,549 3.5,551 2.444,552 1.563,553 1.702,554 0.639,555 0.403,556 0.149,557 0.066,558 0.031,559 2861,560 6622,561 2.081,562 48.6,563 6,564 8,567 2,568 2,572 1.609,573 1.932,574 2.869,575 0.341,577 1,579 1,582 55.088,583 1.489,584 3.336,585 4.034,586 4.304,587 4.466,588 4.52,589 2.268,590 4.143,591 4.22,592 2.909,593 497.481,594 7.219,595 4677.76,596 1,597 1,599 1,600 192.75,601 1.462,602 4.171,603 0.167,605 0.081,606 0.046,607 0.059,608 0.029,609 0.025,610 0.014,611 0.011,612 0.016,613 0.447,614 0.83,615 1,616 0.986,617 79.871,618 -0.048,619 -0.026,620 0.057,621 -0.02,622 -0.064,623 0.032,624 -0.122,625 0.057,626 0.129,627 0.195,628 0.015,629 0.195,630 0.113,631 -0.107,632 0.099,633 0.005,634 0.138,635 0.043,636 -0.006,637 -0.141,638 -0.158,639 -0.221,640 -0.032,641 -0.215,642 -0.041,643 0.016,644 -0.176,645 -0.082,646 -0.117,647 -0.139,648 0.046,649 -0.122,650 -0.082,651 -0.178,652 0.025,653 -0.152,654 -0.163,655 0.039,656 -0.087,657 -0.006,658 -0.2,659 -0.026,660 -0.335,661 -0.045,662 -0.394,663 -0.131,664 -0.406,665 -0.253,666 0.974,667 2.319,668 0.737,669 11.906,670 0.998,671 1.128,672 1.621,673 2.626,674 0.649,675 3.091,676 3.434,677 3.784,678 4.078,679 4.369,680 4.477,681 4.595,682 4.691,683 4.745,684 4.5,685 4.273,686 0.613,687 258.35,688 3.091,689 4.635,690 5.517,691 6.418,692 7.321,693 8.229,694 9.137,695 10.049,696 10.959,697 11.872,698 5.4,702 1,708 1,714 2,715 2,716 1,720 5,722 11,733 1,739 2,741 37,743 11,744 1,745 21,747 39,748 15,749 9,750 4,751 2,756 3,757 6,767 4,770 4,772 9,773 6,789 1,790 1,793 18,794 4,795 2,796 4,802 2,808 0.333,809 2,822 1,829 3,833 2,859 1,864 2,868 19,869 1,876 4,878 2,893 5.4,898 2,901 9.833,902 7.283,903 4.306,904 2.246,907 2.414,908 1.353,909 0.992,910 3.231,911 9.259,912 3.314,913 3.98,914 4.663,915 5.309,916 5.965,917 6.384,918 6.777,919 7.149,920 7.457,921 7.286,922 0.8,923 34,924 7.015,926 2.949,927 0.026,929 7.588,931 13.663,933 11.322,936 2.088,937 39.667,938 0.002,941 188.338,942 74.76,943 49.683,945 22,948 74.76,949 210.337,950 49.683,951 21.766,952 10.138,953 51.85,954 16.786,955 45.903,957 188.338,959 188.338,960 124.442,961 22,964 188.338,965 22,968 15.039,969 92.618,970 16.786,972 188.338,973 71.682,974 74.76,977 188.338,978 34.041,979 40.719,981 71.682,982 188.338,983 71.682,984 74.76,986 0.578,987 0.37,988 0.21,989 0.117,990 16,991 7,992 0.051,993 2,994 2,995 1.286,996 3.029,997 148.033,998 0.286,999 14,1000 80.711,1005 12.548,1006 4.892,1007 2.02,1008 1.842,1009 71.682,1010 3.824,1011 4.745,1015 4.59,1017 32.897,1018 334.78,1019 26.5,1031 36.927,1032 41.737,1034 0.286,1035 0.64,1036 0.774,1037 0.826,1038 0.857,1039 0.868,1040 4.562,1041 0.624,1042 5.517,1043 2.62,1044 4.111,1045 4.663,1046 1.376,1047 6.389,1048 4.032,1049 5.79,1050 0.381,1051 7.116,1052 1.306,1053 3.761,1054 4.691,1056 7.398,1057 3.658,1058 7.135,1060 8.815,1061 0.549,1062 5.759,1063 7.004,1064 1.159,1065 10.53,1066 5.625,1067 8.52,1068 -0.347,1069 10.572,1071 6.236,1072 7.846,1074 12.325,1075 6.073,1076 9.939,1077 -0.74,1078 12.364,1079 -0.716,1080 7.706,1081 9.666,1082 0.963,1083 14.984,1084 7.525,1085 11.38,1086 -0.841,1087 14.179,1088 -1.854,1089 8.558,1090 10.868,1092 17.106,1093 8.348,1094 12.837,1095 -1.051,1096 16.011,1097 -2.142,1098 9.826,1099 12.503,1100 0.787,1101 19.6,1102 9.602,1103 3.241,1104 -1.39,1105 17.855,1106 -2.69,1107 10.849,1108 13.876,1110 21.87,1111 10.598,1112 2.817,1113 11.143,1114 19.708,1115 -3.905,1116 12.043,1117 15.439,1118 0.634,1119 24.304,1120 11.777,1121 2.338,1122 9.236,1123 21.568,1124 4.608,1125 13.142,1126 16.892,1128 26.643,1129 12.852,1130 2.087,1131 7.841,1132 23.435,1133 3.712,1134 14.311,1135 18.428,1136 0.504,1137 29.055,1138 14.004,1139 1.599,1140 6.405,1141 25.307,1142 3.089,1143 15.445,1144 19.919,1146 31.427,1147 15.117,1148 1.427,1149 4.411,1150 27.184,1151 2.882,1152 16.608,1153 21.446,1154 0.395,1155 33.833,1156 16.261,1157 1.059,1158 3.075,1159 29.065,1160 1.965,1161 17.759,1162 22.955,1164 36.222,1165 17.391,1166 2857,1167 4438,1168 13.929,1169 24.012,1170 31.005,1171 32.119,1172 33.4,1173 31.078,1174 31.149,1175 40.058,1176 3.44,1177 93.173,1178 29.753,1179 5.61,1180 5.381,1181 6.473,1182 5.261,1183 5.241,1184 7.608,1185 1.72,1186 18.685,1187 5.17,1188 8.845,1189 1.476,1190 1.529,1191 1.59,1192 1.48,1193 1.483,1194 1.908,1195 0.164,1196 4.437,1197 1.417,1198 4.113,1199 4.137,1200 4.081,1201 4.035,1202 5.155,1203 4.043,1204 3.754,1205 3.79,1206 3.661,1207 3.653,1208 4.887,1209 3.648,1210 3.401,1211 3.451,1212 3.279,1213 3.206,1214 4.61,1215 3.218,1216 3.257,1217 3.322,1218 3.099,1219 3.004,1220 4.492,1221 3.014,1222 3.158,1223 3.247,1224 2.977,1225 2.918,1226 4.14,1227 2.914,1228 3.042,1229 3.132,1230 2.833,1231 2.84,1232 3.835,1233 2.825,1234 2.897,1235 2.996,1236 2.685,1237 2.715,1238 3.562,1239 2.697,1240 2.691,1241 2.801,1242 2.466,1243 2.466,1244 3.413,1245 2.452,1246 0.222,1247 0.161,1248 0.323,1249 0.201,1250 0.154,1251 4.665,1252 0.219,1253 3.381,1254 0.041,1255 6.792,1256 0.531,1257 4.219,1258 0.151,1259 3.241,1260 4.608,1261 0.86,1262 11.143,1263 3.17,1264 2.063,1265 2.043,1266 2.143,1267 2.16,1268 1.428,1269 2.155,1270 1.75,1271 1.713,1272 1.923,1273 1.887,1274 1.142,1275 1.901,1276 1.336,1277 1.291,1278 1.599,1279 1.595,1280 0.754,1281 1.595,1282 1.2,1283 1.129,1284 1.576,1285 1.525,1286 0.634,1287 1.54,1288 1.144,1289 1.06,1290 1.467,1291 1.399,1292 0.575,1293 1.421,1294 1.057,1295 0.971,1296 1.366,1297 1.291,1298 0.518,1299 1.329,1300 0.894,1301 0.816,1302 1.17,1303 1.15,1304 0.212,1305 1.168,1306 0.667,1307 0.564,1308 1.045,1309 0.964,1310 0.072,1311 0.999,1312 3.761,1314 5.094,1316 6.661,1318 8.336,1320 10.067,1322 3.261,1326 6.319,1328 4.429,1330 10.657,1340 22.687,1341 55.088,1342 123.447,1343 149.24,1344 159.24,1345 165.24,1346 167.24,1347 24.514,1348 6.845,1349 57.37,1350 57.37,1351 18,1352 12.386,1353 3.585,1354 2.7,1355 27.614,1356 51,1357 43,1358 0.296,1359 139.419,1360 235.56,1361 331.944,1362 7173,1364 13.405,1365 0.706,1366 0.596,1367 13.405,1368 11.324,1369 9.241,1370 0.44,1371 0.313,1372 6.464,1373 8.841,1374 6.256,1375 5.209,1376 9.241,1377 6.572,1378 8.035,1379 0.268,1380 0.163,1381 8.035,1382 4.882,1383 7.425,1384 0.173,1385 0.089,1386 7.425,1387 3.811,1388 6.333,1389 0.109,1390 0.048,1391 6.333,1392 2.787,1393 5.323,1394 0.068,1395 0.026,1396 5.323,1397 2.066,1398 0.437,1399 58.372,1400 0.268,1401 18.351,1402 0.899,1403 102,1404 282.428,1405 110.838,1406 268.213,1407 374.99,1408 254,1409 124,1410 280.753,1411 133.587,1412 286.884,1413 422.32,1414 268,1415 5.284}
{0 CHEMBL61930,1 1.578,2 6.471,3 4.119,4 16.965,5 71.348,6 9.213,7 0.579,8 3.485,9 3.594,10 3.236,11 3.163,12 4.547,13 3.113,14 4.028,15 4.178,16 3.681,17 3.606,18 5.043,19 3.528,20 4.329,21 4.523,22 3.935,23 3.756,24 5.386,25 3.65,26 4.278,27 4.492,28 3.623,29 3.602,30 5.335,31 3.484,32 4.161,33 4.4,34 3.473,35 3.439,36 5.181,37 3.29,38 3.973,39 4.225,40 3.221,41 3.231,42 4.878,43 3.018,44 3.665,45 3.919,46 2.866,47 2.882,48 4.518,49 2.611,50 3.015,51 3.223,52 2.225,53 2.236,54 4.041,55 1.919,56 0.029,57 0.397,58 4.193,59 2.36,60 4.949,61 3.106,62 0.038,63 0.657,64 9.402,65 4.673,66 6.544,67 6.249,68 0.201,69 0.858,70 22.208,71 6.691,72 22.814,73 8.626,74 0.227,75 0.841,76 17.279,77 5.881,78 26.649,79 7.612,80 0.228,81 0.711,82 15.722,83 5.442,84 28.618,85 7.168,86 0.163,87 0.513,88 17.111,89 5.454,90 22.443,91 7.216,92 0.158,93 0.311,94 18.921,95 4.563,96 18.656,97 5.728,98 0.152,99 0.11,100 15.456,101 2.571,102 16.142,103 2.867,104 10,105 28,106 0.304,107 0.684,108 0.763,109 0.83,110 0.87,111 0.87,112 2.911,113 1.023,114 -4.49,115 -4.42,116 -4.16,121 44.8,123 4,144 2,145 2,146 3,148 2,165 1,166 1,167 1,176 5,180 4,185 2,187 8,189 2,192 3,197 2,200 9,203 2,206 2,208 1,209 1,211 3,214 6,216 3,219 1,224 2,227 6,229 2,237 1,239 5,241 1,251 4,264 2,281 218,282 11.361,283 11.361,284 11.361,285 11.361,286 11.361,287 9.944,288 9.206,289 6.496,290 11.66,291 9.351,292 9.351,293 9.351,294 9.351,295 9.351,296 7.169,297 4.293,298 3.076,299 9.983,300 3.28,301 1.31,302 0.897,303 0.552,304 0.345,305 0.345,306 3.585,308 2,311 1,312 1,313 239,314 1.871,318 86.591,322 95.706,325 0.969,326 15.376,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 35.667,338 110,339 4.659,340 3.421,341 6.786,342 4.208,343 3.234,344 4.604,346 11.112,347 3.152,348 4.114,349 3.208,350 6.103,351 3.68,352 2.756,353 3.677,355 8.803,356 2.56,357 3.648,358 2.547,359 5.705,360 3.218,361 2.293,362 3.05,364 7.315,365 2.052,366 3.478,367 2.285,368 5.278,369 3.015,370 2.073,371 2.874,373 6.353,374 1.871,375 2.782,376 2.089,377 4.359,378 2.428,379 1.459,380 1.872,382 4.026,383 1.416,384 2.499,385 1.475,386 3.769,387 2.363,388 1.414,389 1.499,391 3.071,392 1.305,393 2.066,394 1.345,395 3.618,396 1.882,397 0.948,398 1.028,400 2.365,401 0.848,402 1.546,403 0.741,404 3.123,405 1.126,406 0.284,407 0.34,409 0.706,410 0.206,411 1.216,412 0.169,413 2.737,414 0.813,415 -0.078,416 -0.096,418 -0.199,419 -0.063,420 0.726,421 -0.138,422 2.568,423 0.298,424 -0.604,425 -0.734,427 -1.553,428 -0.443,429 0.485,430 -0.497,431 2.092,432 0.176,433 -0.751,434 -0.876,436 -1.946,437 -0.612,438 0.216,439 -0.668,440 2,441 -0.014,442 -0.917,443 -1.053,445 -2.257,446 -0.859,447 -0.006,448 -0.968,449 1.54,450 -0.396,451 -1.279,452 -1.602,454 -3.494,455 -1.001,456 -0.171,457 -1.165,458 1.382,459 -0.621,460 -1.414,461 -1.807,463 -4.132,464 -1.231,465 -0.3,466 -1.389,467 1.369,468 -0.733,469 -1.568,470 -1.943,472 -4.665,473 -1.503,474 8.729,475 0.513,476 0.507,477 0.03,478 21.25,479 1.25,480 10.5,481 0.618,482 10.75,483 0.632,484 14.092,485 0.829,486 17.671,487 0.609,488 11.754,489 0.691,490 3.686,491 0.217,492 4.479,493 0.263,494 0.209,496 0.401,501 0.675,502 0.991,503 0.515,504 0.687,505 0.79,506 0.733,507 0.56,508 1.161,509 0.533,510 0.82,511 0.479,512 0.833,513 0.78,514 1.14,515 0.68,516 0.866,517 0.711,518 0.87,519 0.918,520 1.124,521 0.803,522 0.98,523 1.025,524 1.039,525 0.768,526 0.956,527 0.69,528 0.882,529 0.955,530 0.985,531 0.773,532 0.908,533 0.937,534 1.021,535 0.825,536 1.055,537 1.521,538 0.776,539 1.739,540 1.25,541 1.387,542 1.149,543 3.328,544 0.558,545 3.693,546 1.986,547 2.908,548 1.584,549 3.5,551 2.444,552 1.438,553 1.542,554 0.458,555 0.322,556 0.094,557 0.041,559 2127,560 6496,561 2.091,562 41.4,563 6,564 2,567 2,568 2,572 1.576,573 1.925,574 2.725,575 0.411,577 1,582 45.756,583 1.578,584 3.548,585 3.961,586 4.306,587 4.513,588 4.513,589 1.993,590 3.617,591 4.064,592 2.737,593 372.279,594 6.897,595 3214.18,597 1,598 1,599 1,600 140.881,601 1.496,602 4.004,603 0.184,605 0.087,606 0.048,607 0.067,608 0.027,609 0.029,610 0.016,611 0.02,613 0.479,614 0.83,615 1,616 0.682,617 67.797,618 -0.085,619 0.128,620 -0.005,621 0.097,622 -0.101,623 0.081,624 0.04,625 -0.134,626 0.078,627 0.034,628 0.117,629 0.057,630 0.085,631 -0.131,632 0.146,633 0.051,634 0.133,635 0.061,636 -0.025,637 -0.052,638 -0.058,639 -0.104,640 -0.053,641 -0.14,642 0.079,643 0.073,644 0.072,645 0.034,646 0.023,647 -0.036,648 0.11,649 -0.047,650 0.082,651 0.022,652 0.083,653 0.005,654 -0.169,655 -0.042,656 -0.162,657 -0.054,658 -0.204,659 -0.009,660 -0.815,661 0.039,662 -0.966,663 -0.565,664 -0.796,665 -0.4,666 1.137,667 2.217,668 0.824,669 8.54,670 1.005,671 1.116,672 3.264,673 10.655,674 0.734,675 2.996,676 3.367,677 3.689,678 3.97,679 4.277,680 4.344,681 4.419,682 4.5,683 4.511,684 4.19,685 3.846,686 0.685,687 267.17,688 2.996,689 4.554,690 5.434,691 6.337,692 7.236,693 8.144,694 9.049,695 9.959,696 10.866,697 11.777,698 6.9,702 1,708 1,714 2,715 2,716 1,720 5,722 11,733 1,740 2,741 29,743 11,744 1,745 19,747 31,748 13,749 9,750 4,751 2,756 3,757 6,758 2,767 4,770 4,772 9,773 4,790 1,793 12,794 2,795 2,796 4,797 2,802 2,808 0.333,822 1,829 3,833 2,859 1,865 2,868 17,869 1,876 4,892 2,901 8.833,902 5.236,903 3.639,904 1.901,907 2.411,908 1.364,909 1.038,910 2.735,911 9.04,912 3.239,913 3.942,914 4.605,915 5.248,916 5.908,917 6.288,918 6.641,919 7.006,920 7.281,921 7.015,922 0.6,923 30,924 6.271,926 2.737,927 0.026,929 7.67,931 12.166,933 10.502,936 2.17,937 36.889,938 0.003,941 117.711,942 49.508,943 49.683,944 78.297,948 49.508,949 196.008,950 49.683,952 10.138,953 51.85,954 16.786,955 20.417,957 117.711,958 78.297,959 117.711,960 99.191,962 78.297,964 117.711,968 15.039,969 67.366,970 95.083,972 117.711,973 49.683,974 127.805,977 117.711,978 30.556,979 18.952,981 127.98,982 117.711,983 49.683,984 127.805,986 0.598,987 0.365,988 0.195,989 0.114,990 16,991 7,994 2,995 1.286,996 2.851,997 128.042,998 0.286,999 14,1000 69.487,1005 11.27,1006 4.126,1007 1.806,1008 1.762,1009 49.683,1010 3.612,1011 4.655,1015 4.204,1017 32.897,1018 295.199,1019 24.5,1031 29.153,1032 32.376,1034 0.325,1035 0.73,1036 0.815,1037 0.886,1038 0.929,1039 0.929,1040 4.497,1041 0.284,1042 5.451,1043 2.365,1044 4.043,1045 4.625,1047 6.319,1048 3.924,1049 5.747,1050 -0.078,1051 7.052,1052 0.706,1053 3.761,1054 4.691,1056 7.306,1057 3.526,1058 7.097,1059 -0.604,1060 8.752,1061 -0.199,1062 5.694,1063 6.978,1065 10.443,1066 5.501,1067 8.485,1068 -0.751,1069 10.508,1070 -1.553,1071 6.196,1072 7.828,1074 12.216,1075 5.916,1076 9.904,1077 -0.917,1078 12.298,1079 -1.946,1080 7.643,1081 9.644,1083 14.889,1084 7.391,1085 11.344,1086 -1.279,1087 14.11,1088 -2.257,1089 8.503,1090 10.847,1092 17.001,1093 8.197,1094 12.801,1095 -1.414,1096 15.939,1097 -3.494,1098 9.763,1099 12.483,1101 19.506,1102 9.466,1103 3.234,1104 -1.568,1105 17.78,1106 -4.132,1107 10.788,1108 13.856,1110 21.774,1111 10.456,1112 2.756,1113 11.112,1114 19.631,1115 -4.665,1116 11.979,1117 15.42,1119 24.216,1120 11.644,1121 2.293,1122 8.803,1123 21.491,1124 4.604,1125 13.079,1126 16.873,1128 26.557,1129 12.718,1130 2.073,1131 7.315,1132 23.357,1133 3.677,1134 14.247,1135 18.41,1137 28.975,1138 13.874,1139 1.459,1140 6.353,1141 25.229,1142 3.05,1143 15.381,1144 19.9,1146 31.349,1147 14.986,1148 1.414,1149 4.026,1150 27.106,1151 2.874,1152 16.544,1153 21.428,1155 33.758,1156 16.133,1157 0.948,1158 3.071,1159 28.987,1160 1.872,1161 17.695,1162 22.936,1164 36.149,1165 17.262,1166 2111,1167 3806,1168 12.542,1169 21.296,1170 28.954,1171 30.112,1172 30.323,1173 29.105,1174 28.92,1175 37.887,1177 87.5,1178 26.821,1179 5.604,1180 5.421,1181 6.467,1182 5.25,1183 5.234,1184 7.604,1186 18.653,1187 5.152,1188 7.949,1189 1.524,1190 1.585,1191 1.596,1192 1.532,1193 1.522,1194 1.994,1196 4.605,1197 1.412,1198 4.109,1199 4.134,1200 4.189,1201 4.046,1202 5.178,1203 4.048,1204 3.741,1205 3.779,1206 3.833,1207 3.671,1208 4.964,1209 3.655,1210 3.318,1211 3.372,1212 3.414,1213 3.207,1214 4.626,1215 3.195,1216 3.146,1217 3.219,1218 3.393,1219 2.982,1220 4.485,1221 2.979,1222 2.929,1223 3.018,1224 3.014,1225 2.786,1226 4.103,1227 2.761,1228 2.724,1229 2.832,1230 2.789,1231 2.602,1232 3.747,1233 2.579,1234 2.667,1235 2.704,1236 2.656,1237 2.386,1238 3.478,1239 2.397,1240 2.06,1241 2.185,1242 2.377,1243 1.786,1244 3.374,1245 1.759,1246 0.245,1247 0.18,1248 0.357,1249 0.221,1250 0.17,1251 4.659,1252 0.242,1253 3.421,1255 6.786,1256 0.585,1257 4.208,1258 0.166,1259 3.234,1260 4.604,1262 11.112,1263 3.152,1264 2.065,1265 2.044,1266 2.137,1267 2.149,1268 1.428,1269 2.15,1270 1.747,1271 1.71,1272 1.901,1273 1.854,1274 1.138,1275 1.882,1276 1.28,1277 1.238,1278 1.475,1279 1.466,1280 0.753,1281 1.474,1282 1.131,1283 1.059,1284 1.386,1285 1.335,1286 0.579,1287 1.369,1288 0.923,1289 0.858,1290 1.171,1291 1.166,1292 0.218,1293 1.182,1294 0.689,1295 0.626,1296 1.045,1297 0.976,1298 0.083,1299 1.014,1300 0.611,1301 0.511,1302 0.793,1303 0.783,1305 0.822,1306 0.053,1308 0.674,1309 0.449,1311 0.536,1312 3.664,1314 5.017,1316 6.592,1318 8.27,1320 10,1323 12.038,1326 6.217,1328 4.401,1340 19.859,1341 45.756,1342 102.881,1343 114.881,1344 124.881,1345 130.881,1346 130.881,1347 22.82,1348 6.629,1349 38.91,1350 38.91,1351 18,1352 12.292,1353 3.585,1354 2.7,1355 23.565,1356 42,1357 30,1358 0.316,1359 128.908,1360 213.8,1361 306.296,1362 5495,1363 6.9,1364 11.991,1365 0.705,1366 0.634,1367 12.991,1368 10.775,1369 8.165,1370 0.43,1371 0.341,1372 5.761,1373 7.502,1374 5.572,1375 4.557,1376 8.742,1377 6.482,1378 7.653,1379 0.273,1380 0.188,1381 8.395,1382 5.256,1383 6.819,1384 0.175,1385 0.104,1386 7.708,1387 4.07,1388 5.581,1389 0.107,1390 0.053,1391 6.005,1392 2.777,1393 4.853,1394 0.068,1395 0.03,1396 5.358,1397 2.143,1398 0.46,1399 56.036,1400 0.282,1401 16.458,1402 0.977,1403 94,1404 239.364,1405 128.119,1406 299.846,1407 397.03,1408 278,1409 114,1410 253.387,1411 144.727,1412 278.983,1413 414.37,1414 264,1415 6.328}
{0 CHEMBL61965,1 1.398,2 13.933,3 3.546,4 12.571,5 116.619,6 7.009,7 0.563,8 4.132,9 4.24,10 3.647,11 3.647,12 5.226,13 3.622,14 4.663,15 4.837,16 3.963,17 4.006,18 5.67,19 3.973,20 4.869,21 5.029,22 4.072,23 4.2,24 5.955,25 4.125,26 5.052,27 5.28,28 3.983,29 4.241,30 5.99,31 4.122,32 5.074,33 5.316,34 3.903,35 4.219,36 6.019,37 4.078,38 4.976,39 5.232,40 3.819,41 4.093,42 5.945,43 3.953,44 4.786,45 5.016,46 3.647,47 3.912,48 5.779,49 3.798,50 4.622,51 4.857,52 3.512,53 3.785,54 5.538,55 3.657,56 0.013,57 0.752,58 12.617,59 5.655,60 9.567,61 7.277,62 0.276,63 1.203,64 23.719,65 8.664,66 24.785,67 11.328,68 0.388,69 1.465,70 28.571,71 11.541,72 46.19,73 15.149,74 0.285,75 1.697,76 35.788,77 13.761,78 46.38,79 18.844,80 0.502,81 1.684,82 37.339,83 14.193,84 60.423,85 19.514,86 0.474,87 1.507,88 34.129,89 12.953,90 60.279,91 18.027,92 0.499,93 1.225,94 28.505,95 10.151,96 56.208,97 13.545,98 0.251,99 1.071,100 23.504,101 9.056,102 35.814,103 12.36,104 30,105 44,106 0.228,107 0.496,108 0.676,109 0.78,110 0.801,111 0.807,112 3.44,113 0.933,114 -0.91,115 -1.02,116 -1.12,121 43.1,126 4,127 2,144 12,145 2,146 4,159 1,176 11,180 5,187 10,189 3,191 2,192 9,200 6,203 4,206 5,214 2,216 2,218 1,219 3,221 1,227 8,229 1,231 2,232 2,239 14,243 1,244 1,251 12,256 4,258 1,264 4,266 1,269 6,279 2,281 1512,282 20.126,283 20.126,284 20.126,285 20.126,286 20.126,287 17.874,288 24.246,289 11.821,290 20.683,291 15.642,292 15.642,293 15.642,294 15.642,295 15.642,296 12.16,297 30.765,298 5.421,299 16.365,300 4.46,301 2.82,302 1.716,303 1.078,304 0.949,305 0.914,306 4.119,311 1,312 1,313 878,314 4.123,318 355.089,325 2.147,326 24.001,329 1,330 1,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.88,337 64.5,338 418,339 4.505,340 3.747,341 7.308,342 4.313,343 3.392,344 3.97,345 1.571,346 12.508,347 3.128,348 4.325,349 3.635,350 6.238,351 3.938,352 2.96,353 3.869,354 1.26,355 9.347,356 2.911,357 3.928,358 3.163,359 5.89,360 3.568,361 2.605,362 3.453,363 0.86,364 8.101,365 2.493,366 3.868,367 2.829,368 5.436,369 3.477,370 2.491,371 3.24,372 0.86,373 7.137,374 2.455,375 3.753,376 2.605,377 5.307,378 3.355,379 2.386,380 3.129,381 0.699,382 6.809,383 2.289,384 3.034,385 2.197,386 4.715,387 2.654,388 1.697,389 2.198,390 0.245,391 4.843,392 1.617,393 2.919,394 1.949,395 4.404,396 2.523,397 1.612,398 2.058,400 4.2,401 1.462,402 2.87,403 1.874,404 4.154,405 2.439,406 1.443,407 1.965,409 3.689,410 1.429,411 2.795,412 1.52,413 3.611,414 2.367,415 1.372,416 1.871,418 3.025,419 1.359,420 2.5,421 1.345,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1.051,431 3.247,432 2,433 1,434 1.5,436 2.136,437 1,438 1.894,439 1,440 3.21,441 1.593,442 0.699,443 0.811,445 1.377,446 0.618,447 1.776,448 1,449 3.052,450 1.404,451 0.481,452 0.579,454 0.983,455 0.434,456 1.451,457 0.934,458 2.932,459 1.176,460 0.317,461 0.35,463 0.428,464 0.27,465 1.119,466 0.255,467 2.621,468 0.859,469 -0.115,470 -0.134,472 -0.304,473 -0.111,474 14.233,475 0.474,476 0.748,477 0.025,478 39.75,479 1.325,480 21,481 0.7,482 18.75,483 0.625,484 23.314,485 0.777,486 32.867,487 0.567,488 32.258,489 1.075,490 8.494,491 0.283,492 5.931,493 0.198,494 0.164,495 0.028,496 0.246,501 0.82,502 1.383,503 0.833,504 1.212,505 0.665,506 1.052,507 1.378,508 0.839,509 0.933,510 0.765,511 0.814,512 0.761,513 0.932,514 1.267,515 1.1,516 1.228,517 0.958,518 1.195,519 0.905,520 1.116,521 1.02,522 1.107,523 0.927,524 1.082,525 0.849,526 0.99,527 1.018,528 1.027,529 0.889,530 1.048,531 0.666,532 0.949,533 0.863,534 0.976,535 0.888,536 0.956,537 1.336,538 0.841,539 1.098,540 0.862,541 1.58,542 0.932,543 0.89,544 1.046,545 0.995,546 1.066,547 1.103,548 1.055,549 7,550 0.14,551 4,552 1.875,553 1.747,554 1.271,555 0.425,556 0.288,557 0.336,558 0.203,559 12882,560 31774,561 2.004,562 48.3,564 28,572 1.722,573 1.865,574 3.74,575 -0.825,577 1,582 81.061,583 1.398,584 3.038,585 4.142,586 4.78,587 4.909,588 4.944,589 3.219,590 4.215,591 4.879,592 3.926,593 1707.88,594 8.474,595 25219,597 1,599 1,600 339.763,601 1.549,602 4.824,603 0.219,604 0.006,605 0.091,606 0.041,607 0.043,608 0.034,609 0.013,610 0.01,611 0.013,612 0.008,613 0.477,614 0.5,615 1,616 0.855,617 158.129,618 0.007,619 -0.229,620 0.067,621 -0.131,622 -0.045,623 -0.042,624 -0.176,625 0.266,626 0.058,627 0.221,628 -0.033,629 0.19,630 0.093,631 -0.202,632 -0.149,633 -0.201,634 0.064,635 -0.211,636 -0.044,637 -0.115,638 -0.057,639 -0.118,640 -0.027,641 -0.092,642 0.051,643 -0.024,644 -0.043,645 -0.044,646 0.032,647 -0.057,648 0.183,649 -0.007,650 0.114,651 0.005,652 0.159,653 0.043,654 -0.089,655 0.117,656 -0.077,657 0.103,658 -0.158,659 0.028,660 0.017,661 -0.078,662 -0.022,663 -0.077,664 -0.073,665 -0.062,666 1.791,667 5.491,668 0.6,669 33.253,670 0.997,671 1.12,672 -0.315,673 0.099,674 0.657,675 3.497,676 3.807,677 4.025,678 4.19,679 4.369,680 4.369,681 4.369,682 4.317,683 4.407,684 4.431,685 8.073,686 0.621,687 406.54,688 3.497,689 5.03,690 5.861,691 6.725,692 7.571,693 8.438,694 9.289,695 10.158,696 11.011,697 11.881,698 1.7,712 1,715 12,720 6,722 18,727 1,739 3,741 58,743 19,744 3,745 32,747 60,748 25,749 18,750 6,751 12,752 1,756 3,757 3,772 19,773 6,777 1,782 1,786 1,790 1,793 28,794 4,796 5,802 1,803 1,807 1,808 1,809 4,829 3,859 3,864 4,868 30,876 2,878 3,883 1,893 6.9,896 1,898 3,901 16.083,902 11.667,903 6.764,904 3.257,907 2.988,908 1.412,909 0.931,910 7.14,911 10.242,912 3.761,913 4.324,914 4.846,915 5.318,916 5.823,917 5.875,918 6.044,919 6.087,920 6.415,921 6.692,922 1,923 46,924 11.069,926 4.508,927 0.026,929 7.689,931 21.167,933 16.623,936 2.189,937 65.667,939 1,940 1,941 329.591,942 188.964,945 58.145,948 188.964,949 387.735,951 38.559,952 6.698,953 113.715,954 30.278,955 57.858,957 329.591,959 329.591,960 188.964,961 58.145,964 329.591,965 58.145,968 6.698,969 182.265,972 329.591,973 58.145,974 188.964,977 329.591,978 36.69,979 152.274,981 58.145,982 329.591,983 58.145,984 188.964,986 0.577,987 0.34,988 0.171,989 0.091,990 19,991 9,992 0.15,993 9,995 1,996 4.175,997 248.724,999 18,1000 137.207,1005 21.88,1006 9.79,1007 5.632,1009 58.145,1010 23.393,1015 4.728,1018 576.699,1019 42,1024 12.491,1028 -0.125,1031 57.84,1032 64.941,1034 0.239,1035 0.519,1036 0.707,1037 0.816,1038 0.838,1039 0.844,1040 4.987,1041 1.443,1042 5.866,1043 4.2,1044 4.489,1045 5.011,1046 2.512,1047 6.686,1048 4.406,1049 6.196,1050 1.372,1051 7.444,1052 3.689,1053 4.205,1054 4.771,1055 0.931,1056 7.861,1057 4.052,1058 7.506,1059 1,1060 9.136,1061 3.025,1062 6.142,1063 7.155,1064 2.926,1065 10.858,1066 5.967,1067 8.853,1068 1,1069 10.902,1070 2.275,1071 6.686,1072 7.673,1073 1.381,1074 12.881,1075 6.415,1076 10.23,1077 0.699,1078 12.716,1079 2.136,1080 8.127,1081 9.558,1082 3.611,1083 15.5,1084 7.833,1085 11.629,1086 0.481,1087 14.566,1088 1.377,1089 9.031,1090 10.431,1091 1.783,1092 17.838,1093 8.634,1094 13.044,1095 0.317,1096 16.443,1097 0.983,1098 10.297,1099 12.085,1100 4.417,1101 20.37,1102 9.86,1103 3.392,1104 -0.115,1105 18.34,1106 0.428,1107 11.363,1108 13.152,1109 2.192,1110 22.823,1111 10.825,1112 2.96,1113 12.508,1114 20.253,1115 -0.304,1116 12.573,1117 14.682,1118 5.272,1119 25.341,1120 11.977,1121 2.605,1122 9.347,1123 22.18,1124 3.97,1125 13.712,1126 15.863,1127 2.615,1128 27.837,1129 13.02,1130 2.491,1131 8.101,1132 24.118,1133 3.869,1134 14.908,1135 17.323,1136 6.15,1137 30.355,1138 14.145,1139 2.386,1140 7.137,1141 26.064,1142 3.453,1143 16.082,1144 18.574,1145 3.05,1146 32.868,1147 15.227,1148 1.697,1149 6.809,1150 28.018,1151 3.24,1152 17.279,1153 19.994,1154 7.038,1155 35.389,1156 16.345,1157 1.612,1158 4.843,1159 29.978,1160 3.129,1161 18.471,1162 21.288,1163 3.495,1164 37.909,1165 17.446,1166 12569,1167 19921,1168 20.86,1169 38.103,1170 47.485,1171 48.491,1172 48.836,1173 46.84,1174 46.908,1175 60.988,1176 10.99,1177 133.718,1178 44.927,1179 5.38,1180 5.747,1181 7.11,1182 5.375,1183 5.392,1184 6.97,1185 3.141,1186 19.847,1187 5.128,1188 16.32,1189 1.484,1190 1.515,1191 1.526,1192 1.464,1193 1.466,1194 1.906,1195 0.343,1196 4.179,1197 1.404,1198 4.033,1199 4.074,1200 3.968,1201 3.926,1202 7.427,1203 3.931,1204 3.936,1205 3.95,1206 3.889,1207 3.85,1208 4.928,1209 3.856,1210 3.857,1211 3.885,1212 3.789,1213 3.794,1214 4.848,1215 3.79,1216 3.588,1217 3.646,1218 3.483,1219 3.374,1220 4.744,1221 3.39,1222 3.443,1223 3.467,1224 3.351,1225 3.235,1226 4.496,1227 3.259,1228 3.247,1229 3.314,1230 3.051,1231 2.954,1232 4.386,1233 2.962,1234 3.175,1235 3.246,1236 2.982,1237 2.911,1238 4.261,1239 2.914,1240 2.983,1241 3.063,1242 2.806,1243 2.847,1244 4.069,1245 2.827,1246 0.141,1247 0.117,1248 0.228,1249 0.135,1250 0.106,1251 4.505,1252 0.124,1253 3.747,1254 0.049,1255 7.308,1256 0.391,1257 4.313,1258 0.098,1259 3.392,1260 3.97,1261 1.571,1262 12.508,1263 3.128,1264 1.972,1265 1.936,1266 2.098,1267 2.113,1268 1.309,1269 2.112,1270 1.9,1271 1.887,1272 1.994,1273 2.009,1274 1.102,1275 2.001,1276 1.859,1277 1.834,1278 1.973,1279 1.946,1280 1.066,1281 1.96,1282 1.538,1283 1.47,1284 1.775,1285 1.765,1286 0.884,1287 1.769,1288 1.359,1289 1.332,1290 1.6,1291 1.61,1292 0.698,1293 1.602,1294 1.192,1295 1.116,1296 1.576,1297 1.523,1298 0.574,1299 1.539,1300 1.142,1301 1.065,1302 1.486,1303 1.423,1304 0.561,1305 1.449,1306 1.017,1307 0.942,1308 1.417,1309 1.239,1310 0.512,1311 1.308,1312 4.174,1314 5.485,1316 6.995,1318 8.587,1320 10.219,1322 7.445,1328 0.843,1330 16.175,1335 0.717,1340 35.992,1341 81.061,1342 176.214,1343 240.214,1344 277.234,1345 284.743,1346 286.743,1347 57.547,1348 7.255,1349 44.76,1350 44.76,1351 18,1352 12.427,1353 4.322,1354 3.459,1355 55.771,1356 148,1357 128,1358 0.183,1359 223.368,1360 392.36,1361 536.777,1362 14592,1364 21.562,1365 0.719,1366 0.599,1367 21.562,1368 17.975,1369 14.424,1370 0.451,1371 0.311,1372 9.768,1373 13.789,1374 9.379,1375 7.909,1376 14.424,1377 9.952,1378 12.879,1379 0.293,1380 0.178,1381 12.879,1382 7.852,1383 10.556,1384 0.192,1385 0.095,1386 10.556,1387 5.2,1388 8.186,1389 0.126,1390 0.053,1391 8.186,1392 3.452,1393 6.308,1394 0.081,1395 0.028,1396 6.308,1397 2.196,1398 0.298,1399 91.083,1400 0.219,1401 29.047,1402 0.472,1403 152,1404 441.275,1405 165.846,1406 416.831,1407 564.08,1408 392,1409 175,1410 403.435,1411 190.679,1412 413.402,1413 592.99,1414 383,1415 5}
{0 CHEMBL61986,1 1.284,2 10.667,3 6.026,4 36.315,5 101.371,6 6.047,7 0.423,8 4.038,9 4.177,10 3.43,11 3.575,12 4.918,13 3.506,14 4.635,15 4.848,16 3.728,17 3.975,18 5.418,19 3.865,20 4.909,21 5.176,22 3.826,23 4.114,24 5.634,25 3.979,26 4.9,27 5.164,28 3.777,29 4.099,30 5.657,31 3.954,32 4.899,33 5.169,34 3.69,35 4.095,36 5.595,37 3.933,38 4.901,39 5.175,40 3.595,41 4.07,42 5.573,43 3.884,44 4.883,45 5.17,46 3.465,47 3.98,48 5.516,49 3.78,50 4.785,51 5.076,52 3.293,53 3.845,54 5.419,55 3.644,56 0.066,57 0.747,58 13.387,59 5.533,60 8.683,61 7.913,62 0.164,63 1.223,64 23.907,65 9.213,66 17.115,67 13.448,68 0.222,69 1.518,70 30.819,71 11.222,72 23.481,73 16.92,74 0.312,75 1.526,76 30.839,77 10.937,78 28.33,79 16.629,80 0.22,81 1.501,82 30.404,83 11.203,84 22.249,85 16.909,86 0.257,87 1.456,88 30.273,89 11.63,90 22.458,91 17.201,92 0.216,93 1.358,94 29.49,95 11.309,96 21.006,97 16.549,98 0.253,99 1.202,100 26.918,101 9.789,102 21.13,103 14.399,104 15,105 34,106 0.216,107 0.49,108 0.706,109 0.834,110 0.876,111 0.876,112 3.229,113 1.104,114 -4.8,115 -4.71,116 -4.43,121 38.9,122 1,123 9,126 1,127 1,144 3,145 2,146 2,148 2,176 11,180 6,185 3,187 12,192 4,197 3,200 8,205 1,206 3,209 1,211 5,214 10,224 2,227 11,232 3,235 1,237 1,239 12,244 3,249 1,251 10,256 3,264 9,269 2,277 9,281 944,282 16.845,283 16.845,284 16.845,285 16.845,286 16.845,287 15.585,288 16.096,289 10.496,290 17.135,291 12.796,292 12.796,293 12.796,294 12.796,295 12.796,296 10.697,297 17.059,298 4.918,299 13.174,300 4.471,301 2.84,302 1.562,303 0.797,304 0.546,305 0.546,306 3.918,312 1,313 542,314 3.317,318 148.785,322 169.593,325 1.444,326 11.213,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 50,338 256,339 4.652,340 3.37,341 6.833,342 4.216,343 3.236,344 4.583,345 0.86,346 11.366,347 3.169,348 4.007,349 2.879,350 6.011,351 3.614,352 2.637,353 3.548,354 0.4,355 8.524,356 2.577,357 3.608,358 2.551,359 5.466,360 3.243,361 2.287,362 2.982,364 7.049,365 2.179,366 3.406,367 2.272,368 5.135,369 2.991,370 2.05,371 2.741,373 6.125,374 1.924,375 2.868,376 1.888,377 4.125,378 2.837,379 1.843,380 1.879,382 3.734,383 1.829,384 2.676,385 1.642,386 3.976,387 2.476,388 1.496,389 1.723,391 3.396,392 1.465,393 2.495,394 1.438,395 3.776,396 2.41,397 1.416,398 1.495,400 3.193,401 1.406,402 2.455,403 1.421,404 3.591,405 2.25,406 1.257,407 1.454,409 2.898,410 1.247,411 2.099,412 1.186,413 3.34,414 2.013,415 1.036,416 1.08,418 2.228,419 1.009,420 1.823,421 1.039,422 2.988,423 1.678,424 0.709,425 0.769,427 1.345,428 0.683,429 1.581,430 0.716,431 2.857,432 1.337,433 0.451,434 0.495,436 0.709,437 0.396,438 1.373,439 0.257,440 2.718,441 1.146,442 0.183,443 0.205,445 0.366,446 0.176,447 1.009,448 -0.043,449 2.454,450 0.801,451 -0.168,452 -0.191,454 -0.36,455 -0.162,456 0.926,457 -0.213,458 2.19,459 0.569,460 -0.394,461 -0.493,463 -0.877,464 -0.376,465 0.595,466 -0.498,467 2.158,468 0.363,469 -0.617,470 -0.668,472 -1.255,473 -0.603,474 11.633,475 0.485,476 0.342,477 0.014,478 25.5,479 1.063,480 11,481 0.458,482 14.5,483 0.604,484 24.458,485 1.019,486 27.367,487 0.507,488 15.032,489 0.626,490 4.155,491 0.173,492 7.675,493 0.32,494 0.086,496 0.258,501 0.921,502 1.341,503 1.017,504 1.224,505 0.864,506 1.141,507 1.18,508 1.204,509 1.029,510 1.096,511 0.919,512 1.06,513 0.954,514 1.058,515 0.869,516 0.92,517 0.864,518 0.889,519 0.927,520 1.06,521 1.015,522 0.995,523 1.004,524 1.001,525 0.905,526 1.042,527 1.048,528 1.023,529 1.009,530 1.032,531 0.764,532 1.046,533 1.077,534 1.1,535 0.97,536 1.105,537 1.021,538 1.047,539 1.035,540 1.075,541 1.015,542 1.062,543 1.531,544 0.896,545 1.122,546 0.957,547 1.36,548 1.003,549 3,550 0.078,551 2,552 1.375,553 1.351,554 0.583,555 0.442,556 0.236,557 0.156,558 0.112,559 6094,560 10415,561 2.089,562 55.6,563 17,564 8,567 1,568 2,569 2,572 1.671,573 2,574 3.312,575 -0.424,582 69.319,583 1.284,584 2.915,585 4.193,586 4.958,587 5.208,588 5.208,589 2.809,590 4.418,591 4.542,592 3.477,593 959.694,594 7.862,595 11257.8,600 310.764,601 1.189,602 4.536,603 0.115,604 0.006,605 0.059,606 0.037,607 0.04,608 0.019,609 0.016,610 0.01,611 0.008,612 0.007,613 0.318,614 0.5,615 1,616 1.935,617 114.074,618 0.032,619 -0.075,620 0.06,621 -0.023,622 0.109,623 0.015,624 -0.039,625 -0.087,626 0.013,627 -0.016,628 0.116,629 -0.003,630 0.029,631 -0.02,632 0.134,633 0.075,634 0.144,635 0.106,636 0.097,637 0.015,639 -0.012,640 0.077,641 -0.014,642 -0.062,643 0.013,644 -0.054,645 -0.03,646 -0.09,647 -0.036,648 0.048,649 -0.027,650 -0.099,651 -0.099,652 -0.069,653 -0.106,654 -0.029,655 -0.093,656 -0.062,657 -0.093,658 -0.07,659 -0.081,660 -0.175,661 0.052,662 -0.123,663 -0.009,664 -0.21,665 -0.053,666 0.781,667 1.934,668 0.583,669 23.889,670 0.98,671 1.13,672 3.573,673 12.77,674 0.632,675 3.296,676 3.555,677 3.85,678 4.143,679 4.443,680 4.564,681 4.718,682 4.836,683 4.905,684 4.762,685 5.996,686 0.577,687 326.53,688 3.296,689 4.796,690 5.638,691 6.506,692 7.381,693 8.269,694 9.16,695 10.059,696 10.959,697 11.864,698 3.7,703 1,708 1,714 2,715 3,716 1,720 4,722 11,734 1,739 1,741 54,743 11,744 1,745 26,747 56,748 21,749 9,750 3,751 3,756 3,757 6,763 1,767 4,770 9,772 9,773 12,793 30,794 3,795 1,796 3,802 2,808 0.333,809 1,822 1,829 3,833 2,859 1,864 2,868 24,876 10,877 1,878 1,893 1.9,898 1,901 12,902 10.117,903 5.611,904 3.94,907 2.423,908 1.336,909 0.966,910 6.226,911 9.646,912 3.481,913 4.034,914 4.663,915 5.302,916 5.945,917 6.343,918 6.745,919 7.114,920 7.417,921 7.296,922 1,923 37,924 8.93,926 3.633,927 0.026,929 7.333,931 18.092,933 14.959,936 1.833,937 44,938 0.001,941 341.362,942 91.713,943 34.796,945 11,948 91.713,949 352.362,950 34.796,951 19.708,952 24.916,953 28.429,954 34.796,955 29.659,957 341.362,959 341.362,960 126.509,961 11,964 317.82,965 34.542,968 38.643,969 53.071,970 34.796,972 341.362,973 45.796,974 91.713,977 341.362,978 43.576,979 48.137,980 18.011,981 27.785,982 341.362,983 45.796,984 91.713,986 0.549,987 0.324,988 0.183,989 0.107,990 15,991 6,992 0.143,993 8,994 2,995 1.286,996 3.655,997 190.404,998 0.286,999 14,1000 110.039,1005 17.384,1006 8.595,1007 4.163,1008 2.3,1009 45.796,1010 6.276,1011 4.934,1015 4.951,1017 18.011,1018 478.871,1019 31.5,1031 52.901,1032 61.019,1034 0.223,1035 0.506,1036 0.729,1037 0.862,1038 0.905,1039 0.905,1040 4.689,1041 1.257,1042 5.58,1043 3.193,1044 4.234,1045 4.718,1046 1.029,1047 6.378,1048 4.179,1049 5.85,1050 1.036,1051 7.117,1052 2.898,1053 3.611,1054 4.559,1056 7.286,1057 3.526,1058 7.147,1059 0.709,1060 8.768,1061 2.228,1062 5.784,1063 6.962,1064 0.763,1065 10.451,1066 5.681,1067 8.492,1068 0.451,1069 10.491,1070 1.345,1071 6.089,1072 7.727,1074 12.26,1075 5.957,1076 9.882,1077 0.183,1078 12.262,1079 0.709,1080 7.654,1081 9.587,1082 0.597,1083 14.933,1084 7.51,1085 11.303,1086 -0.168,1087 14.066,1088 0.366,1089 8.42,1090 10.761,1092 17.102,1093 8.251,1094 12.747,1095 -0.394,1096 15.893,1097 -0.36,1098 9.734,1099 12.414,1100 0.47,1101 19.615,1102 9.552,1103 3.236,1104 -0.617,1105 17.738,1106 -0.877,1107 10.722,1108 13.776,1110 21.933,1111 10.518,1112 2.637,1113 11.366,1114 19.596,1115 -1.255,1116 11.937,1117 15.347,1118 0.367,1119 24.391,1120 11.718,1121 2.287,1122 8.524,1123 21.464,1124 4.583,1125 13.026,1126 16.796,1128 26.772,1129 12.786,1130 2.05,1131 7.049,1132 23.34,1133 3.548,1134 14.207,1135 18.334,1136 0.283,1137 29.211,1138 13.95,1139 1.843,1140 6.125,1141 25.224,1142 2.982,1143 15.341,1144 19.822,1146 31.619,1147 15.063,1148 1.496,1149 3.734,1150 27.113,1151 2.741,1152 16.511,1153 21.349,1154 0.217,1155 34.052,1156 16.215,1157 1.416,1158 3.396,1159 29.006,1160 1.879,1161 17.665,1162 22.855,1164 36.472,1165 17.348,1166 6070,1167 8121,1168 17.682,1169 34.126,1170 37.012,1171 37.732,1172 38.864,1173 37.16,1174 37.202,1175 45.908,1176 2.52,1177 101.863,1178 36.124,1179 5.601,1180 5.37,1181 6.796,1182 5.258,1183 5.236,1184 7.583,1185 1.72,1186 18.906,1187 5.169,1188 9.365,1189 1.424,1190 1.451,1191 1.495,1192 1.429,1193 1.431,1194 1.766,1195 0.097,1196 3.918,1197 1.389,1198 4.116,1199 4.145,1200 4.08,1201 4.04,1202 5.001,1203 4.047,1204 3.767,1205 3.833,1206 3.644,1207 3.655,1208 4.64,1209 3.645,1210 3.741,1211 3.785,1212 3.592,1213 3.636,1214 4.269,1215 3.616,1216 3.541,1217 3.622,1218 3.367,1219 3.375,1220 4.214,1221 3.36,1222 3.356,1223 3.413,1224 3.209,1225 3.181,1226 4.14,1227 3.18,1228 3.203,1229 3.294,1230 3.031,1231 2.989,1232 3.962,1233 2.986,1234 3.117,1235 3.197,1236 2.933,1237 2.926,1238 3.829,1239 2.91,1240 3.063,1241 3.15,1242 2.831,1243 2.874,1244 3.561,1245 2.855,1246 0.179,1247 0.13,1248 0.263,1249 0.162,1250 0.124,1251 4.652,1252 0.176,1253 3.37,1254 0.033,1255 6.833,1256 0.437,1257 4.216,1258 0.122,1259 3.236,1260 4.583,1261 0.86,1262 11.366,1263 3.169,1264 2.069,1265 2.046,1266 2.152,1267 2.163,1268 1.437,1269 2.161,1270 1.778,1271 1.716,1272 2.036,1273 1.942,1274 1.377,1275 1.977,1276 1.752,1277 1.709,1278 1.937,1279 1.88,1280 1.161,1281 1.901,1282 1.552,1283 1.476,1284 1.845,1285 1.758,1286 1.104,1287 1.791,1288 1.322,1289 1.268,1290 1.602,1291 1.566,1292 0.788,1293 1.579,1294 1.188,1295 1.101,1296 1.553,1297 1.464,1298 0.746,1299 1.498,1300 1.122,1301 1.042,1302 1.454,1303 1.338,1304 0.626,1305 1.379,1306 1.093,1307 1.009,1308 1.374,1309 1.299,1310 0.542,1311 1.334,1312 3.97,1314 5.242,1316 6.739,1318 8.359,1320 10.052,1322 3.983,1328 12.426,1329 3.749,1330 5.382,1340 31.133,1341 69.319,1342 157.391,1343 226.441,1344 267.744,1345 281.254,1346 281.254,1347 34.069,1348 7.223,1349 34.15,1350 34.15,1351 18,1352 12.384,1353 3.585,1354 2.7,1355 39.214,1356 80,1357 120,1358 0.232,1359 192.977,1360 330.57,1361 462.625,1362 12676,1364 16.778,1365 0.699,1366 0.632,1367 16.778,1368 15.159,1369 11.83,1370 0.455,1371 0.368,1372 9.489,1373 11.544,1374 9.222,1375 7.75,1376 11.83,1377 9.565,1378 9.676,1379 0.285,1380 0.201,1381 9.676,1382 6.843,1383 8.291,1384 0.18,1385 0.11,1386 8.291,1387 5.052,1388 6.978,1389 0.113,1390 0.059,1391 6.978,1392 3.676,1393 5.98,1394 0.071,1395 0.033,1396 5.98,1397 2.736,1398 0.361,1399 72.958,1400 0.238,1401 23.475,1402 0.648,1403 120,1404 259.714,1405 126.653,1406 253.637,1407 361.14,1408 242,1409 140,1410 274.052,1411 146.988,1412 279.938,1413 411.98,1414 265,1415 6.337}
{0 CHEMBL62031,1 1.444,2 10.375,3 1.962,4 3.849,5 92.006,6 6.884,7 0.48,8 3.942,9 4.054,10 3.434,11 3.395,12 5.041,13 3.38,14 4.481,15 4.671,16 3.751,17 3.744,18 5.492,19 3.728,20 4.645,21 4.793,22 3.855,23 3.949,24 5.793,25 3.885,26 4.844,27 5.08,28 3.743,29 3.966,30 5.805,31 3.848,32 4.807,33 5.05,34 3.634,35 3.844,36 5.8,37 3.73,38 4.618,39 4.843,40 3.45,41 3.66,42 5.67,43 3.553,44 4.439,45 4.678,46 3.351,47 3.562,48 5.453,49 3.445,50 4.426,51 4.679,52 3.329,53 3.496,54 5.445,55 3.398,56 0.007,57 0.629,58 10.841,59 4.558,60 7.872,61 6.001,62 0.304,63 0.962,64 20.543,65 6.709,66 23.278,67 9.087,68 0.368,69 1.149,70 23.353,71 9.117,72 41.437,73 11.999,74 0.299,75 1.286,76 29.586,77 10.824,78 42.659,79 15.079,80 0.46,81 1.171,82 29.328,83 9.895,84 54.075,85 13.744,86 0.588,87 0.962,88 24.548,89 7.89,90 54.645,91 10.812,92 0.362,93 0.845,94 19.952,95 7.105,96 39.68,97 9.939,98 0.242,99 0.812,100 19.893,101 6.733,102 39.903,103 9.46,104 46,105 35,106 0.249,107 0.513,108 0.68,109 0.758,110 0.772,111 0.779,112 3.227,113 0.94,114 0.16,116 -0.21,121 39.6,126 5,127 1,144 7,145 1,146 4,159 1,176 5,180 5,187 5,189 2,191 2,192 8,200 2,203 1,206 6,208 1,216 1,218 1,219 3,227 2,231 2,232 1,239 5,243 1,244 1,246 1,251 5,253 1,256 2,264 3,266 2,269 3,277 1,279 1,281 782,282 15.643,283 15.643,284 15.643,285 15.643,286 15.643,287 14.142,288 20.423,289 9.014,290 16.202,291 12.178,292 12.178,293 12.178,294 12.178,295 12.178,296 9.71,297 26.514,298 4.068,299 12.894,300 4.141,301 2.605,302 1.634,303 1.183,304 1.1,305 1.058,306 3.885,310 1,311 1,312 1,313 506,314 3.937,318 178.374,325 1.625,326 22.321,328 1,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 52.5,338 249,339 4.452,340 3.661,341 7.116,342 4.24,343 3.319,344 3.97,345 1.571,346 11.689,347 3.058,348 4.325,349 3.631,350 6.238,351 3.938,352 2.96,353 3.864,354 1.2,355 9.347,356 2.91,357 3.897,358 3.163,359 5.89,360 3.56,361 2.595,362 3.236,363 0.86,364 8.101,365 2.484,366 3.762,367 2.811,368 5.381,369 3.385,370 2.432,371 3.073,372 0.86,373 7.092,374 2.299,375 2.972,376 2.197,377 4.52,378 2.593,379 1.644,380 2.104,381 0.699,382 4.527,383 1.551,384 2.919,385 1.947,386 4.401,387 2.521,388 1.607,389 2.057,391 4.186,392 1.461,393 2.829,394 1.841,395 4.145,396 2.389,397 1.389,398 1.886,400 3.657,401 1.378,402 2.571,403 1.328,404 3.494,405 2.106,406 1.115,407 1.601,409 2.548,410 1.104,411 1.889,412 1.124,413 3.11,414 1.585,415 0.691,416 0.804,418 1.325,419 0.611,420 1.745,421 1.05,422 2.957,423 1.369,424 0.446,425 0.536,427 0.916,428 0.401,429 1.451,430 0.934,431 2.724,432 1.174,433 0.309,434 0.346,436 0.423,437 0.265,438 0.834,439 0.152,440 2.54,441 0.448,442 -0.483,443 -0.578,445 -0.882,446 -0.44,447 0.808,448 -0.032,449 2.356,450 0.394,451 -0.59,452 -0.774,454 -1.373,455 -0.562,456 0.634,457 -0.482,458 2.136,459 0.197,460 -0.783,461 -1,463 -2.213,464 -0.759,465 0.583,466 -0.6,467 2,468 0.135,469 -0.834,470 -1,472 -2.249,473 -0.802,474 11.233,475 0.468,476 0.74,477 0.031,478 30.25,479 1.26,480 15,481 0.625,482 15.25,483 0.635,484 18.187,485 0.758,486 27.467,487 0.572,488 24.091,489 1.004,490 6.562,491 0.273,492 4.783,493 0.199,494 0.252,495 0.036,496 0.267,501 0.836,502 1.56,503 0.85,504 1.349,505 0.676,506 1.136,507 1.404,508 0.713,509 0.884,510 0.642,511 0.789,512 0.64,513 0.958,514 1.302,515 1.133,516 1.307,517 1.017,518 1.261,519 0.818,520 1.104,521 0.943,522 1.132,523 0.931,524 1.075,525 1.067,526 0.977,527 0.978,528 0.998,529 0.948,530 0.978,531 1.284,532 0.908,533 1.145,534 0.933,535 1.315,536 1.004,537 0.778,538 0.938,539 0.905,540 0.958,541 1.468,542 0.961,543 1.022,544 0.899,545 0.821,546 0.857,547 1.492,548 0.813,549 6.5,550 0.157,551 3.333,552 1.563,553 1.453,554 1,555 0.306,556 0.309,557 0.254,558 0.171,559 6021,560 15106,561 1.916,562 50,564 24,572 1.666,573 1.745,574 3.36,575 -0.782,576 1,577 1,582 69.328,583 1.444,584 2.98,585 3.951,586 4.402,587 4.485,588 4.527,589 2.772,590 4.137,591 4.56,592 3.533,593 975.182,594 7.851,595 11830.9,597 1,599 1,600 268.078,601 1.707,602 4.473,603 0.26,604 0.01,605 0.095,606 0.043,607 0.047,608 0.037,609 0.014,610 0.015,611 0.012,612 0.009,613 0.542,614 0.5,615 1,616 1.066,617 115.58,618 -0.004,619 -0.332,620 0.068,621 -0.202,622 -0.061,623 -0.079,624 -0.2,625 0.403,626 0.13,627 0.342,628 -0.006,629 0.315,630 0.078,631 -0.192,632 -0.178,633 -0.223,634 0.045,635 -0.243,636 0.025,637 -0.125,638 0.011,639 -0.129,640 -0.015,641 -0.073,642 0.002,643 -0.047,644 0.018,645 -0.035,646 0.073,647 -0.009,649 0.037,650 -0.119,651 0.017,653 -0.059,654 0.132,655 0.027,656 0.063,657 0.032,658 -0.017,659 0.031,660 -0.041,661 0.034,662 0.167,663 0.105,664 0.002,665 0.163,666 1.786,667 5.342,668 0.5,669 19.965,670 1.002,671 1.127,672 -1.391,673 1.934,674 0.637,675 3.258,676 3.584,677 3.761,678 3.892,679 4.078,680 4.025,681 4.025,682 3.85,683 3.892,684 3.97,685 6.335,686 0.603,687 330.44,688 3.258,689 4.796,690 5.617,691 6.485,692 7.326,693 8.191,694 9.038,695 9.902,696 10.752,697 11.613,698 2.1,712 1,715 7,720 5,722 12,727 1,739 3,741 48,743 13,744 2,745 25,747 49,748 19,749 12,750 5,751 7,752 1,756 2,757 2,772 13,773 6,777 1,782 1,786 1,789 1,790 1,793 24,794 4,796 5,802 1,803 1,807 1,808 1,809 4,829 2,859 2,864 5,868 24,876 1,878 3,883 1,893 8.3,896 1,898 3,901 13.75,902 10.25,903 5.389,904 2.646,907 2.158,908 1.329,909 0.898,910 5.862,911 8.721,912 3.497,913 4.06,914 4.57,915 5.027,916 5.524,917 5.575,918 5.72,919 5.471,920 5.722,921 6.079,922 0.857,923 36,924 8.849,926 3.545,927 0.026,929 7.771,931 16.747,933 12.806,936 2.271,937 54.5,941 282.506,942 144.687,945 58.145,948 144.687,949 340.651,951 46.955,952 4.592,953 66.334,954 30.278,955 54.672,957 282.506,959 282.506,960 144.687,961 58.145,964 282.506,965 58.145,968 4.592,969 140.095,972 282.506,973 58.145,974 144.687,977 282.506,978 31.398,979 113.289,981 58.145,982 282.506,983 58.145,984 144.687,986 0.584,987 0.337,988 0.163,989 0.088,990 15,991 8,992 0.143,993 7,995 1,996 3.503,997 180.367,999 12,1000 105.284,1005 18.302,1006 7.687,1007 4.731,1009 58.145,1010 12.827,1015 3.414,1018 485.338,1019 32,1024 12.342,1028 -0.119,1031 48.072,1032 54.111,1034 0.259,1035 0.534,1036 0.707,1037 0.788,1038 0.803,1039 0.811,1040 4.736,1041 1.115,1042 5.652,1043 3.657,1044 4.263,1045 4.745,1046 2.467,1047 6.485,1048 4.161,1049 5.962,1050 0.691,1051 7.246,1052 2.548,1053 4.111,1054 4.649,1055 0.931,1056 7.695,1057 3.942,1058 7.287,1059 0.446,1060 8.953,1061 1.325,1062 5.948,1063 6.908,1064 2.89,1065 10.639,1066 5.745,1067 8.648,1068 0.309,1069 10.727,1070 0.916,1071 6.567,1072 7.538,1073 1.241,1074 12.615,1075 6.277,1076 10.037,1077 -0.483,1078 12.543,1079 0.423,1080 7.957,1081 9.342,1082 3.58,1083 15.182,1084 7.636,1085 11.446,1086 -0.59,1087 14.389,1088 -0.882,1089 8.891,1090 10.301,1091 1.521,1092 17.442,1093 8.479,1094 12.868,1095 -0.783,1096 16.255,1097 -1.373,1098 10.129,1099 11.903,1100 4.391,1101 19.91,1102 9.674,1103 3.319,1104 -0.834,1105 18.137,1106 -2.213,1107 11.197,1108 13.035,1109 1.818,1110 22.281,1111 10.653,1112 2.96,1113 11.689,1114 20.032,1115 -2.249,1116 12.385,1117 14.533,1118 5.252,1119 24.726,1120 11.784,1121 2.595,1122 9.347,1123 21.937,1124 3.97,1125 13.513,1126 15.761,1127 2.132,1128 27.143,1129 12.826,1130 2.432,1131 8.101,1132 23.851,1133 3.864,1134 14.688,1135 17.203,1136 6.135,1137 29.587,1138 13.934,1139 1.644,1140 7.092,1141 25.772,1142 3.236,1143 15.844,1144 18.488,1145 2.46,1146 32.024,1147 15.004,1148 1.607,1149 4.527,1150 27.698,1151 3.073,1152 17.019,1153 19.897,1154 7.027,1155 34.472,1156 16.105,1157 1.389,1158 4.186,1159 29.63,1160 2.104,1161 18.19,1162 21.215,1163 2.798,1164 36.919,1165 17.191,1166 6173,1167 9939,1168 15.603,1169 30.58,1170 37.464,1171 38.716,1172 38.506,1173 36.952,1174 37.016,1175 46.957,1176 10.38,1177 107.626,1178 35.045,1179 5.326,1180 5.661,1181 6.669,1182 5.295,1183 5.319,1184 6.97,1185 3.141,1186 18.661,1187 5.058,1188 15.363,1189 1.499,1190 1.549,1191 1.54,1192 1.478,1193 1.481,1194 1.878,1195 0.415,1196 4.305,1197 1.402,1198 4,1199 4.038,1200 3.942,1201 3.89,1202 7.427,1203 3.898,1204 3.925,1205 3.944,1206 3.874,1207 3.834,1208 4.926,1209 3.839,1210 3.615,1211 3.679,1212 3.494,1213 3.392,1214 4.844,1215 3.404,1216 3.454,1217 3.475,1218 3.365,1219 3.243,1220 4.496,1221 3.27,1222 3.247,1223 3.314,1224 3.051,1225 2.955,1226 4.407,1227 2.962,1228 3.18,1229 3.25,1230 2.993,1231 2.916,1232 4.267,1233 2.921,1234 2.881,1235 3.009,1236 2.763,1237 2.724,1238 4.16,1239 2.721,1240 2.874,1241 3.009,1242 2.582,1243 2.637,1244 3.554,1245 2.613,1246 0.178,1247 0.146,1248 0.285,1249 0.17,1250 0.133,1251 4.452,1252 0.159,1253 3.661,1254 0.063,1255 7.116,1256 0.468,1257 4.24,1258 0.122,1259 3.319,1260 3.97,1261 1.571,1262 11.689,1263 3.058,1264 1.935,1265 1.906,1266 2.063,1267 2.09,1268 1.23,1269 2.085,1270 1.892,1271 1.875,1272 1.982,1273 2.005,1274 1.099,1275 1.996,1276 1.57,1277 1.494,1278 1.815,1279 1.798,1280 0.907,1281 1.804,1282 1.366,1283 1.342,1284 1.602,1285 1.619,1286 0.7,1287 1.608,1288 1.192,1289 1.116,1290 1.576,1291 1.523,1292 0.574,1293 1.539,1294 1.146,1295 1.069,1296 1.49,1297 1.428,1298 0.561,1299 1.453,1300 0.934,1301 0.81,1302 1.417,1303 1.239,1304 0.469,1305 1.308,1306 0.934,1307 0.804,1308 1.417,1309 1.239,1310 0.469,1311 1.308,1312 3.932,1314 5.252,1316 6.765,1318 8.358,1320 9.99,1322 9.331,1328 -0.032,1330 16.055,1335 0.681,1340 28.939,1341 69.328,1342 143.024,1343 189.633,1344 211.284,1345 215.284,1346 217.284,1347 49.377,1348 6.562,1349 44.76,1350 44.76,1351 12,1352 12.164,1353 3.807,1354 3,1355 48.647,1356 93,1357 80,1358 0.26,1359 181.989,1360 319.74,1361 435.814,1362 5500,1364 17.742,1365 0.739,1366 0.62,1367 17.742,1368 14.882,1369 11.346,1370 0.454,1371 0.313,1372 7.645,1373 10.704,1374 7.265,1375 6.187,1376 11.346,1377 7.835,1378 10.56,1379 0.302,1380 0.187,1381 10.56,1382 6.559,1383 8.072,1384 0.192,1385 0.09,1386 8.072,1387 3.776,1388 5.991,1389 0.125,1390 0.048,1391 5.991,1392 2.294,1393 4.767,1394 0.082,1395 0.026,1396 4.767,1397 1.505,1398 0.413,1399 72.686,1400 0.253,1401 23.625,1402 0.697,1403 120,1404 377.275,1405 133.513,1406 349.929,1407 467.97,1408 328,1409 137,1410 331.154,1411 152.179,1412 338.366,1413 484.11,1414 311,1415 5}
{0 CHEMBL62084,1 1.471,2 6.063,3 3.454,4 11.933,5 66.543,6 8.025,7 0.611,8 3.475,9 3.595,10 3.117,11 3.126,12 4.508,13 3.076,14 4.017,15 4.179,16 3.525,17 3.558,18 4.987,19 3.478,20 4.31,21 4.526,22 3.603,23 3.681,24 5.263,25 3.576,26 4.264,27 4.494,28 3.433,29 3.554,30 5.252,31 3.431,32 4.151,33 4.402,34 3.277,35 3.382,36 5.135,37 3.227,38 3.953,39 4.228,40 2.771,41 3.138,42 4.713,43 2.9,44 3.616,45 3.927,46 2.385,47 2.697,48 4.273,49 2.405,50 2.936,51 3.235,52 1.69,53 1.972,54 3.7,55 1.632,56 0.026,57 0.408,58 5.509,59 2.553,60 4.944,61 3.474,62 0.031,63 0.676,64 10.846,65 4.847,66 7.077,67 6.648,68 0.111,69 0.878,70 18.361,71 6.485,72 16.451,73 8.888,74 0.163,75 0.858,76 16.915,77 5.73,78 21.936,79 7.908,80 0.211,81 0.718,82 16.264,83 5.228,84 28.032,85 7.328,86 0.104,87 0.53,88 15.532,89 5.219,90 16.288,91 7.141,92 0.08,93 0.338,94 12.963,95 4.047,96 11.372,97 5.507,98 0.082,99 0.132,100 9.791,101 2.168,102 9.59,103 2.742,104 5,105 26,106 0.284,107 0.674,108 0.772,109 0.843,110 0.87,111 0.87,112 2.857,113 1,114 -3.97,115 -3.92,116 -3.72,121 44.8,123 4,144 3,145 2,146 2,148 2,165 1,166 1,167 1,176 6,180 4,185 2,187 9,189 2,192 4,197 2,200 8,203 2,206 1,208 1,209 1,211 3,214 5,216 3,219 1,224 3,227 8,229 3,239 5,251 3,264 1,281 180,282 10.861,283 10.861,284 10.861,285 10.861,286 10.861,287 9.497,288 8.64,289 6.322,290 11.063,291 8.883,292 8.883,293 8.883,294 8.883,295 8.883,296 6.781,297 4.027,298 3.008,299 9.276,300 3.387,301 1.362,302 0.854,303 0.483,304 0.345,305 0.345,306 3.532,308 1,311 1,312 1,313 213,314 1.732,318 78.746,322 87.143,325 0.953,326 11.537,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 33.333,338 97,339 4.639,340 3.35,341 6.776,342 4.194,343 3.215,344 4.575,346 11.07,347 3.148,348 3.98,349 2.937,350 6.005,351 3.578,352 2.606,353 3.515,355 8.481,356 2.532,357 3.478,358 2.499,359 5.281,360 3.055,361 2.105,362 2.878,364 6.337,365 2.005,366 3.453,367 2.238,368 4.95,369 2.962,370 2.066,371 2.787,373 5.765,374 1.752,375 2.594,376 1.522,377 4.135,378 2.414,379 1.423,380 1.627,382 3.384,383 1.403,384 2.499,385 1.4,386 3.691,387 2.252,388 1.256,389 1.499,391 3.059,392 1.249,393 1.962,394 0.926,395 3.454,396 1.753,397 0.774,398 0.895,400 1.872,401 0.755,402 1.49,403 0.563,404 2.941,405 1.069,406 0.169,407 0.212,409 0.417,410 0.139,411 1.007,412 -0.038,413 2.528,414 0.636,415 -0.295,416 -0.358,418 -0.72,419 -0.246,420 0.649,421 -0.484,422 2.347,423 0.193,424 -0.737,425 -0.864,427 -1.937,428 -0.593,429 0.347,430 -0.638,431 2,432 0.139,433 -0.841,434 -1.02,436 -2.166,437 -0.821,438 0.196,439 -0.849,440 1.835,441 -0.093,442 -1,443 -1.253,445 -2.653,446 -0.91,447 -0.059,448 -1.165,449 1.514,450 -0.494,451 -1.359,452 -1.785,454 -3.623,455 -1.23,456 -0.282,457 -1.381,458 1.331,459 -0.633,460 -1.552,461 -1.909,463 -4.52,464 -1.494,465 -0.5,466 -1.746,467 1.114,468 -0.884,469 -1.831,470 -2.198,472 -5.304,473 -1.744,474 8.014,475 0.501,476 0.418,477 0.026,478 20.5,479 1.281,480 10.5,481 0.656,482 10,483 0.625,484 12.038,485 0.752,486 16.586,487 0.572,488 11.115,489 0.695,490 3.599,491 0.225,492 4.155,493 0.26,494 0.139,496 0.374,501 0.767,502 0.997,503 0.603,504 0.778,505 0.903,506 0.799,507 0.581,508 1.167,509 0.614,510 0.925,511 0.486,512 0.908,513 0.944,514 1.139,515 0.852,516 0.958,517 0.828,518 0.927,519 1.129,520 1.104,521 0.893,522 0.983,523 1.196,524 1.041,525 0.9,526 0.963,527 0.85,528 0.983,529 1.091,530 1.051,531 0.932,532 0.911,533 1.127,534 1.109,535 1.058,536 1.142,537 0.905,538 0.79,539 1.193,540 1.018,541 0.843,542 0.989,543 2.392,544 0.564,545 2.747,546 1.368,547 1.967,548 1.132,549 3,551 2,552 1.25,553 1.351,554 0.319,555 0.2,556 0.047,557 0.02,559 1842,560 4681,561 2.135,562 44.8,563 6,564 3,567 2,568 2,572 1.557,573 2,574 2.651,575 0.39,577 1,578 1,579 1,582 42.67,583 1.471,584 3.496,585 4.004,586 4.375,587 4.513,588 4.513,589 2.149,590 3.5,591 3.977,592 2.669,593 320.333,594 6.721,595 2647.88,597 1,599 1,600 140.881,601 1.406,602 3.933,603 0.167,605 0.077,606 0.046,607 0.064,608 0.021,609 0.025,610 0.012,611 0.02,613 0.433,614 1,615 1,616 0.625,617 62.098,618 -0.089,619 0.123,620 0.007,621 0.103,622 -0.108,623 0.086,624 0.051,625 -0.14,626 0.07,627 -0.005,628 0.134,629 0.023,630 -0.036,631 -0.134,632 0.001,633 -0.025,634 0.037,635 0.014,636 -0.1,637 -0.043,638 -0.094,639 -0.095,640 -0.1,641 -0.139,642 0.104,643 0.049,644 0.007,645 -0.065,646 0.047,647 -0.117,648 -0.069,649 -0.055,650 -0.077,651 -0.088,652 -0.154,653 -0.117,654 0.064,655 -0.034,656 0.094,657 0.08,658 0.008,659 0.102,660 -0.341,661 0.088,662 -0.392,663 -0.099,664 -0.328,665 0.011,666 0.947,667 2.21,668 0.875,669 7.5,670 0.994,671 1.118,672 2.74,673 7.508,674 0.705,675 2.944,676 3.296,677 3.611,678 3.912,679 4.205,680 4.22,681 4.304,682 4.357,683 4.382,684 4.007,685 3.679,686 0.656,687 232.73,688 2.944,689 4.489,690 5.361,691 6.26,692 7.152,693 8.055,694 8.955,695 9.859,696 10.761,697 11.666,698 6.9,702 1,708 1,714 2,715 3,716 1,720 4,722 11,733 1,740 1,741 29,743 11,744 1,745 18,747 31,748 13,749 9,750 3,751 3,756 3,757 6,758 1,767 4,770 4,772 9,773 4,790 1,793 13,794 2,795 2,796 3,797 1,802 2,808 0.333,822 1,829 3,833 2,859 1,865 1,868 16,869 1,876 4,892 1,901 8,902 5.176,903 3.444,904 1.913,907 2.409,908 1.37,909 1.044,910 2.341,911 8.914,912 3.199,913 3.882,914 4.543,915 5.193,916 5.836,917 6.168,918 6.529,919 6.868,920 7.167,921 6.837,922 1,923 27,924 5.911,926 2.56,927 0.026,929 7.569,931 11.605,933 10.02,936 2.069,937 33.111,938 0.005,941 129.482,942 55.484,943 49.683,944 39.149,948 55.484,949 168.631,950 49.683,952 10.138,953 61.326,954 16.786,955 16.917,957 129.482,958 39.149,959 129.482,960 105.166,962 39.149,964 129.482,968 15.039,969 73.342,970 55.934,972 129.482,973 49.683,974 94.632,977 129.482,978 27.055,979 28.429,981 88.831,982 129.482,983 49.683,984 94.632,986 0.589,987 0.355,988 0.201,989 0.118,990 15,991 6,994 2,995 1.286,996 2.802,997 116.95,998 0.286,999 14,1000 64,1005 10.064,1006 3.722,1007 1.621,1008 1.954,1009 49.683,1010 5.725,1011 4.679,1015 4.013,1017 32.897,1018 273.797,1019 23.5,1031 28.829,1032 32.432,1034 0.303,1035 0.72,1036 0.824,1037 0.901,1038 0.929,1039 0.929,1040 4.44,1041 0.169,1042 5.361,1043 1.872,1044 3.97,1045 4.564,1047 6.213,1048 3.892,1049 5.674,1050 -0.295,1051 6.944,1052 0.417,1053 3.611,1054 4.559,1056 7.177,1057 3.453,1058 7.012,1059 -0.737,1060 8.629,1061 -0.72,1062 5.595,1063 6.9,1065 10.321,1066 5.467,1067 8.389,1068 -0.841,1069 10.374,1070 -1.937,1071 6.043,1072 7.707,1074 12.106,1075 5.865,1076 9.799,1077 -1,1078 12.157,1079 -2.166,1080 7.521,1081 9.554,1083 14.78,1084 7.358,1085 11.233,1086 -1.359,1087 13.967,1088 -2.653,1089 8.353,1090 10.736,1092 16.91,1093 8.159,1094 12.685,1095 -1.552,1096 15.796,1097 -3.623,1098 9.63,1099 12.387,1101 19.416,1102 9.437,1103 3.215,1104 -1.831,1105 17.64,1106 -4.52,1107 10.644,1108 13.751,1110 21.696,1111 10.426,1112 2.606,1113 11.07,1114 19.495,1115 -5.304,1116 11.843,1117 15.322,1119 24.139,1120 11.616,1121 2.105,1122 8.481,1123 21.36,1124 4.575,1125 12.939,1126 16.77,1128 26.485,1129 12.691,1130 2.066,1131 6.337,1132 23.232,1133 3.515,1134 14.112,1135 18.309,1137 28.904,1138 13.848,1139 1.423,1140 5.765,1141 25.11,1142 2.878,1143 15.245,1144 19.795,1146 31.28,1147 14.961,1148 1.256,1149 3.384,1150 26.993,1151 2.787,1152 16.409,1153 21.322,1155 33.689,1156 16.107,1157 0.774,1158 3.059,1159 28.88,1160 1.627,1161 17.559,1162 22.826,1164 36.079,1165 17.237,1166 1814,1167 2977,1168 12.137,1169 20.438,1170 27.3,1171 27.919,1172 28.246,1173 27.352,1174 27.228,1175 35.979,1177 80.768,1178 25.967,1179 5.583,1180 5.35,1181 6.457,1182 5.236,1183 5.215,1184 7.575,1186 18.604,1187 5.148,1188 6.187,1189 1.517,1190 1.551,1191 1.569,1192 1.52,1193 1.513,1194 1.999,1196 4.487,1197 1.443,1198 4.107,1199 4.134,1200 4.122,1201 4.04,1202 5.158,1203 4.043,1204 3.737,1205 3.78,1206 3.769,1207 3.66,1208 4.886,1209 3.645,1210 3.309,1211 3.374,1212 3.393,1213 3.185,1214 4.62,1215 3.175,1216 3.146,1217 3.219,1218 3.102,1219 2.982,1220 4.158,1221 2.979,1222 2.928,1223 3.018,1224 2.86,1225 2.777,1226 3.798,1227 2.754,1228 2.721,1229 2.833,1230 2.671,1231 2.58,1232 3.673,1233 2.56,1234 2.647,1235 2.707,1236 2.467,1237 2.355,1238 3.4,1239 2.371,1240 2.06,1241 2.185,1242 2.259,1243 1.768,1244 3.121,1245 1.748,1246 0.258,1247 0.186,1248 0.376,1249 0.233,1250 0.179,1251 4.639,1252 0.254,1253 3.35,1255 6.776,1256 0.615,1257 4.194,1258 0.175,1259 3.215,1260 4.575,1262 11.07,1263 3.148,1264 2.067,1265 2.044,1266 2.145,1267 2.154,1268 1.427,1269 2.154,1270 1.75,1271 1.709,1272 1.925,1273 1.863,1274 1.138,1275 1.892,1276 1.288,1277 1.237,1278 1.493,1279 1.482,1280 0.754,1281 1.492,1282 1.132,1283 1.059,1284 1.42,1285 1.34,1286 0.594,1287 1.374,1288 0.924,1289 0.858,1290 1.173,1291 1.167,1292 0.247,1293 1.182,1294 0.69,1295 0.625,1296 1.059,1297 0.992,1298 0.1,1299 1.028,1300 0.63,1301 0.509,1302 0.902,1303 0.829,1305 0.872,1306 0.054,1308 0.674,1309 0.449,1311 0.536,1312 3.611,1314 4.949,1316 6.512,1318 8.181,1320 9.905,1323 5.99,1326 6.21,1328 4.54,1340 19.031,1341 42.67,1342 101.372,1343 116.127,1344 126.881,1345 130.881,1346 130.881,1347 18.654,1348 6.506,1349 38.91,1350 38.91,1351 18,1352 12.185,1353 3.585,1354 2.7,1355 21.646,1356 38,1357 30,1358 0.323,1359 120.575,1360 198.59,1361 285.963,1362 4766,1363 3.4,1364 11.121,1365 0.695,1366 0.607,1367 11.621,1368 9.719,1369 7.754,1370 0.431,1371 0.333,1372 5.625,1373 7.351,1374 5.471,1375 4.495,1376 8.043,1377 5.998,1378 7.145,1379 0.275,1380 0.183,1381 7.554,1382 4.756,1383 6.234,1384 0.173,1385 0.097,1386 6.497,1387 3.503,1388 5.352,1389 0.109,1390 0.053,1391 5.571,1392 2.604,1393 4.685,1394 0.071,1395 0.03,1396 4.996,1397 1.999,1398 0.468,1399 50.396,1400 0.287,1401 15.561,1402 1.008,1403 88,1404 205.161,1405 106.6,1406 237.719,1407 324.98,1408 222,1409 106,1410 225.525,1411 119.256,1412 241.204,1413 356.39,1414 229,1415 6.195}
{0 CHEMBL62085,1 1.272,2 6.063,3 3.276,4 10.733,5 66.779,6 6.635,7 0.611,8 3.551,9 3.686,10 3.038,11 3.165,12 4.535,13 3.107,14 4.102,15 4.291,16 3.412,17 3.589,18 4.984,19 3.503,20 4.371,21 4.594,22 3.496,23 3.721,24 5.263,25 3.613,26 4.398,27 4.654,28 3.313,29 3.625,30 5.292,31 3.488,32 4.261,33 4.529,34 3.021,35 3.454,36 5.104,37 3.287,38 4.102,39 4.393,40 2.533,41 3.218,42 4.84,43 2.992,44 3.853,45 4.191,46 1.97,47 2.852,48 4.339,49 2.553,50 3.351,51 3.702,52 1.212,53 2.276,54 3.78,55 1.935,56 0.04,57 0.46,58 7.339,59 3.065,60 6.072,61 4.364,62 0.06,63 0.762,64 13.069,65 5.532,66 7.709,67 7.92,68 0.106,69 0.978,70 17.549,71 6.751,72 15.117,73 9.916,74 0.171,75 0.987,76 18.464,77 6.503,78 22.342,79 9.734,80 0.128,81 0.834,82 16.089,83 5.772,84 19.436,85 8.634,86 0.11,87 0.675,88 13.76,89 5.098,90 17.066,91 7.57,92 0.053,93 0.471,94 10.658,95 4.534,96 8.132,97 6.582,98 0.033,99 0.274,100 6.415,101 2.688,102 4.875,103 3.925,104 5,105 26,106 0.24,107 0.615,108 0.769,109 0.832,110 0.856,111 0.856,112 2.857,113 0.989,114 -3.7,115 -3.67,116 -3.49,121 43.8,122 1,123 4,144 3,145 3,146 1,148 2,165 1,166 1,167 1,176 9,180 4,185 2,187 11,189 2,192 4,197 2,200 8,203 2,206 2,208 1,209 1,211 4,214 6,216 4,219 1,224 3,227 9,229 3,239 7,251 4,264 1,281 180,282 10.861,283 10.861,284 10.861,285 10.861,286 10.861,287 9.497,288 9.464,289 6.322,290 10.926,291 8.883,292 8.883,293 8.883,294 8.883,295 8.883,296 6.781,297 4.857,298 3.008,299 9.009,300 3.728,301 1.736,302 0.922,303 0.586,304 0.461,305 0.461,306 3.532,311 1,312 1,313 213,314 1.732,318 78.746,322 87.143,325 0.953,326 8.856,328 1,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 33,338 97,339 4.639,340 3.341,341 6.776,342 4.197,343 3.215,344 4.575,346 11.07,347 3.157,348 3.98,349 2.763,350 6.005,351 3.6,352 2.606,353 3.515,355 8.481,356 2.59,357 3.478,358 2.312,359 5.281,360 3.092,361 2.105,362 2.878,364 6.337,365 2.083,366 3.453,367 2.213,368 4.95,369 3.032,370 2.066,371 2.787,373 5.765,374 1.988,375 2.594,376 1.518,377 4.135,378 2.417,379 1.423,380 1.627,382 3.384,383 1.413,384 2.499,385 1.398,386 3.691,387 2.252,388 1.256,389 1.499,391 3.059,392 1.251,393 1.962,394 0.923,395 3.454,396 1.755,397 0.774,398 0.895,400 1.872,401 0.758,402 1.49,403 0.368,404 2.941,405 1.128,406 0.169,407 0.212,409 0.417,410 0.161,411 1.007,412 -0.159,413 2.528,414 0.682,415 -0.295,416 -0.358,418 -0.72,419 -0.287,420 0.649,421 -0.545,422 2.347,423 0.258,424 -0.737,425 -0.864,427 -1.937,428 -0.732,429 0.347,430 -0.658,431 2,432 0.139,433 -0.841,434 -1.02,436 -2.166,437 -0.821,438 0.196,439 -0.868,440 1.835,441 -0.013,442 -1,443 -1.253,445 -2.653,446 -0.986,447 -0.059,448 -1.213,449 1.514,450 -0.373,451 -1.359,452 -1.785,454 -3.623,455 -1.339,456 -0.282,457 -1.382,458 1.331,459 -0.577,460 -1.552,461 -1.909,463 -4.52,464 -1.517,465 -0.5,466 -1.756,467 1.114,468 -0.85,469 -1.831,470 -2.198,472 -5.304,473 -1.769,474 7.8,475 0.488,476 0.418,477 0.026,478 20.25,479 1.266,480 10.5,481 0.656,482 9.75,483 0.609,484 12.127,485 0.758,486 16.8,487 0.525,488 11.025,489 0.689,490 3.566,491 0.223,492 4.188,493 0.262,494 0.115,496 0.385,501 1.067,502 1.038,503 0.914,504 0.94,505 1.191,506 0.92,507 0.664,508 1.11,509 0.82,510 0.992,511 0.544,512 0.931,513 1.031,514 1.203,515 0.954,516 1.056,517 0.889,518 1.01,519 1.427,520 1.069,521 1.117,522 1.026,523 1.372,524 1.045,525 1.484,526 1.05,527 1.193,528 1.062,529 1.501,530 1.098,531 1.423,532 0.914,533 1.293,534 1.083,535 1.606,536 1.162,537 0.269,538 0.838,539 0.883,540 0.995,541 0.356,542 0.986,543 0.28,544 0.873,545 0.92,546 1.037,547 0.337,548 1.027,549 3,551 2,552 1.25,553 1.351,554 0.319,555 0.2,556 0.047,557 0.02,559 1842,560 3427,561 2.135,562 50,563 9,564 3,567 2,568 2,572 1.557,573 2,574 2.651,575 0.329,577 1,578 1,579 1,582 40.697,583 1.272,584 3.264,585 4.078,586 4.414,587 4.539,588 4.539,589 2.149,590 3.5,591 3.977,592 2.669,593 320.333,594 6.721,595 2647.88,597 1,599 1,600 160,601 1.406,602 3.933,603 0.167,605 0.077,606 0.046,607 0.064,608 0.021,609 0.025,610 0.012,611 0.02,613 0.433,614 1,615 1,616 0.625,617 62.098,618 -0.088,619 0.108,620 0.042,621 0.102,622 -0.131,623 0.086,624 0.111,625 -0.068,626 0.13,627 0.04,628 0.152,629 0.078,630 0.037,631 -0.173,632 0.018,633 -0.077,634 0.061,635 -0.04,636 -0.042,637 -0.034,638 -0.123,639 -0.098,640 -0.052,641 -0.113,642 -0.234,643 -0.048,644 -0.21,645 -0.127,646 -0.177,647 -0.16,648 -0.341,649 0.038,650 -0.322,651 -0.146,652 -0.398,653 -0.217,654 0.117,655 -0.05,656 0.054,657 -0.009,658 0.077,659 0.013,660 0.12,661 -0.109,662 0.019,663 -0.064,664 0.103,665 -0.036,666 0.705,667 2.269,668 0.875,669 7.5,670 0.981,671 1.122,672 2.472,673 6.111,674 0.667,675 2.944,676 3.296,677 3.611,678 3.912,679 4.205,680 4.22,681 4.304,682 4.357,683 4.382,684 4.007,685 3.679,686 0.617,687 212.32,688 2.944,689 4.489,690 5.361,691 6.26,692 7.152,693 8.055,694 8.955,695 9.859,696 10.761,697 11.666,698 6.3,702 1,708 1,714 2,715 3,716 1,720 4,722 11,733 1,741 32,743 11,744 1,745 18,747 34,748 14,749 9,750 3,751 3,756 3,757 6,763 1,767 4,770 4,772 9,773 5,790 1,793 16,794 2,795 2,796 2,802 2,808 0.333,822 1,829 3,833 2,859 1,864 1,868 16,869 1,876 4,901 8,902 6.033,903 3.444,904 2.128,907 2.409,908 1.37,909 1.038,910 2.184,911 8.914,912 3.199,913 3.882,914 4.543,915 5.193,916 5.836,917 6.168,918 6.529,919 6.868,920 7.167,921 6.837,922 1,923 27,924 5.931,926 2.542,927 0.026,929 7.438,931 11.819,933 10.185,936 1.938,937 31,938 0.007,941 164.795,942 63.994,943 49.683,948 63.994,949 164.795,950 49.683,951 8.825,952 10.138,953 61.326,954 16.786,955 16.602,957 164.795,959 164.795,960 113.677,964 164.795,968 23.864,969 73.027,970 16.786,972 164.795,973 49.683,974 63.994,977 164.795,978 26.74,979 37.254,981 49.683,982 164.795,983 49.683,984 63.994,986 0.589,987 0.355,988 0.201,989 0.118,990 15,991 6,994 2,995 1.286,996 2.802,997 116.95,998 0.286,999 14,1000 62,1005 9.797,1006 3.566,1007 1.538,1008 2.171,1009 49.683,1010 6.326,1011 4.738,1015 4.726,1017 32.897,1018 278.472,1019 23.5,1031 31.389,1032 35.903,1034 0.254,1035 0.653,1036 0.816,1037 0.883,1038 0.908,1039 0.908,1040 4.44,1041 0.169,1042 5.361,1043 1.872,1044 3.97,1045 4.564,1047 6.213,1048 3.94,1049 5.674,1050 -0.295,1051 6.944,1052 0.417,1053 3.611,1054 4.559,1056 7.177,1057 3.561,1058 7.012,1059 -0.737,1060 8.629,1061 -0.72,1062 5.595,1063 6.9,1065 10.321,1066 5.533,1067 8.389,1068 -0.841,1069 10.374,1070 -1.937,1071 6.043,1072 7.707,1074 12.106,1075 5.959,1076 9.799,1077 -1,1078 12.157,1079 -2.166,1080 7.521,1081 9.554,1083 14.78,1084 7.427,1085 11.233,1086 -1.359,1087 13.967,1088 -2.653,1089 8.353,1090 10.736,1092 16.91,1093 8.236,1094 12.685,1095 -1.552,1096 15.796,1097 -3.623,1098 9.63,1099 12.387,1101 19.416,1102 9.501,1103 3.215,1104 -1.831,1105 17.64,1106 -4.52,1107 10.644,1108 13.751,1110 21.696,1111 10.492,1112 2.606,1113 11.07,1114 19.495,1115 -5.304,1116 11.843,1117 15.322,1119 24.139,1120 11.676,1121 2.105,1122 8.481,1123 21.36,1124 4.575,1125 12.939,1126 16.77,1128 26.485,1129 12.75,1130 2.066,1131 6.337,1132 23.232,1133 3.515,1134 14.112,1135 18.309,1137 28.904,1138 13.906,1139 1.423,1140 5.765,1141 25.11,1142 2.878,1143 15.245,1144 19.795,1146 31.28,1147 15.018,1148 1.256,1149 3.384,1150 26.993,1151 2.787,1152 16.409,1153 21.322,1155 33.689,1156 16.165,1157 0.774,1158 3.059,1159 28.88,1160 1.627,1161 17.559,1162 22.826,1164 36.079,1165 17.295,1166 1814,1167 2545,1168 12.137,1169 21.341,1170 27.3,1171 27.502,1172 28.246,1173 27.214,1174 27.228,1175 35.979,1177 80.768,1178 26.804,1179 5.583,1180 5.341,1181 6.457,1182 5.238,1183 5.215,1184 7.575,1186 18.604,1187 5.157,1188 6.187,1189 1.517,1190 1.528,1191 1.569,1192 1.512,1193 1.513,1194 1.999,1196 4.487,1197 1.489,1198 4.113,1199 4.142,1200 4.074,1201 4.045,1202 5.142,1203 4.048,1204 3.752,1205 3.8,1206 3.642,1207 3.672,1208 4.776,1209 3.659,1210 3.367,1211 3.438,1212 3.226,1213 3.233,1214 4.398,1215 3.223,1216 3.188,1217 3.27,1218 3.062,1219 3.02,1220 4.018,1221 3.017,1222 3.002,1223 3.097,1224 2.779,1225 2.84,1226 3.682,1227 2.814,1228 2.838,1229 2.941,1230 2.641,1231 2.671,1232 3.603,1233 2.654,1234 2.689,1235 2.8,1236 2.467,1237 2.357,1238 3.387,1239 2.372,1240 2.475,1241 2.575,1242 2.229,1243 2.277,1244 3.112,1245 2.251,1246 0.258,1247 0.186,1248 0.376,1249 0.233,1250 0.179,1251 4.639,1252 0.254,1253 3.341,1255 6.776,1256 0.615,1257 4.197,1258 0.175,1259 3.215,1260 4.575,1262 11.07,1263 3.157,1264 2.076,1265 2.052,1266 2.161,1267 2.163,1268 1.43,1269 2.164,1270 1.773,1271 1.729,1272 1.968,1273 1.89,1274 1.182,1275 1.92,1276 1.366,1277 1.305,1278 1.612,1279 1.558,1280 0.767,1281 1.581,1282 1.177,1283 1.104,1284 1.47,1285 1.403,1286 0.72,1287 1.426,1288 1.036,1289 0.952,1290 1.365,1291 1.268,1292 0.479,1293 1.312,1294 0.84,1295 0.764,1296 1.149,1297 1.107,1298 0.246,1299 1.132,1300 0.648,1301 0.51,1302 1.042,1303 0.959,1305 0.998,1306 0.497,1307 0.406,1308 0.846,1309 0.749,1311 0.792,1312 3.611,1314 4.949,1316 6.512,1318 8.181,1320 9.905,1322 2.096,1326 6.269,1328 4.675,1340 19.73,1341 40.697,1342 104.436,1343 130.49,1344 141.245,1345 145.245,1346 145.245,1347 17.527,1348 6.506,1349 38.91,1350 38.91,1351 18,1352 12.185,1353 3.585,1354 2.7,1355 21.646,1356 38,1357 30,1358 0.323,1359 121.835,1360 200.68,1361 289.037,1362 4766,1364 11.121,1365 0.695,1366 0.599,1367 11.121,1368 9.585,1369 7.754,1370 0.431,1371 0.33,1372 5.906,1373 7.66,1374 5.714,1375 4.753,1376 7.754,1377 5.931,1378 7.145,1379 0.275,1380 0.18,1381 7.145,1382 4.678,1383 6.234,1384 0.173,1385 0.096,1386 6.234,1387 3.461,1388 5.352,1389 0.109,1390 0.053,1391 5.352,1392 2.574,1393 4.685,1394 0.071,1395 0.03,1396 4.685,1397 1.968,1398 0.468,1399 47.221,1400 0.287,1401 15.561,1402 1.008,1403 88,1404 178.957,1405 91.081,1406 184.483,1407 266.18,1408 174,1409 106,1410 208.662,1411 109.497,1412 216.411,1413 319.25,1414 205,1415 5.092}
{0 CHEMBL62210,1 1.374,2 9.2,3 1.893,4 3.584,5 78.309,6 6.759,7 0.571,8 3.749,9 3.87,10 3.233,11 3.276,12 4.82,13 3.236,14 4.274,15 4.466,16 3.567,17 3.638,18 5.324,19 3.583,20 4.525,21 4.712,22 3.551,23 3.826,24 5.493,25 3.717,26 4.673,27 4.94,28 3.477,29 3.857,30 5.507,31 3.699,32 4.626,33 4.881,34 3.388,35 3.83,36 5.522,37 3.655,38 4.579,39 4.869,40 3.21,41 3.663,42 5.391,43 3.474,44 4.275,45 4.539,46 2.968,47 3.353,48 5.105,49 3.196,50 3.952,51 4.2,52 2.885,53 3.109,54 4.95,55 2.993,56 0.024,57 0.53,58 8.926,59 3.816,60 6.225,61 5.167,62 0.232,63 0.853,64 16.16,65 5.846,66 23.615,67 8.243,68 0.201,69 1.046,70 20.833,71 8.081,72 28.651,73 10.976,74 0.178,75 1.179,76 24.475,77 9.504,78 28.534,79 13.682,80 0.198,81 1.12,82 23.167,83 9.425,84 33.059,85 13.389,86 0.163,87 1.012,88 22.579,89 8.804,90 31.492,91 12.614,92 0.261,93 0.725,94 17.016,95 6.126,96 24.852,97 8.512,98 0.084,99 0.549,100 11.891,101 4.451,102 15.603,103 6.233,104 19,105 29,106 0.246,107 0.518,108 0.668,109 0.76,110 0.773,111 0.773,112 3.057,113 0.972,114 -1.24,115 -1.33,116 -1.4,121 42.5,122 1,126 2,127 1,144 9,145 1,146 2,160 1,176 8,179 1,180 4,187 8,189 3,192 2,200 5,203 4,206 2,214 4,216 2,219 2,221 1,227 8,229 1,239 8,244 1,246 1,251 6,253 1,256 2,264 2,269 3,277 1,281 504,282 12.955,283 12.955,284 12.955,285 12.955,286 12.955,287 11.312,288 15.735,289 7.774,290 13.18,291 10.388,292 10.388,293 10.388,294 10.388,295 10.388,296 8.027,297 21.506,298 3.725,299 10.782,300 3.948,301 2.428,302 1.589,303 1.075,304 1.007,305 1.007,306 3.711,310 1,311 1,312 1,313 377,314 3.536,318 144.702,325 1.62,326 12.374,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 42.5,338 184,339 4.505,340 3.748,341 7.308,342 4.313,343 3.392,344 3.872,345 2.443,346 12.508,347 3.128,348 3.937,349 3.653,350 5.479,351 3.542,352 2.593,353 3.457,354 1.26,355 7.33,356 2.479,357 3.806,358 2.689,359 5.356,360 3.41,361 2.425,362 3.189,363 0.286,364 6.897,365 2.355,366 3.412,367 2.577,368 4.756,369 2.999,370 2,371 2.596,372 0.245,373 5.086,374 1.976,375 2.978,376 1.812,377 4.379,378 2.564,379 1.582,380 2.141,382 4.287,383 1.548,384 2.795,385 1.5,386 3.608,387 2.375,388 1.386,389 1.895,391 3.023,392 1.367,393 2.5,394 1,395 3.414,396 2,397 1,398 1.5,400 2.275,401 1,402 2.5,403 1,404 3.247,405 2,406 1,407 1.5,409 2.136,410 1,411 1.297,412 0.808,413 3.12,414 0.943,420 1.085,421 0.224,422 2.686,423 0.81,424 -0.152,425 -0.178,427 -0.4,428 -0.146,429 0.626,430 0.144,431 2.349,432 0.147,433 -0.826,434 -0.979,436 -2,437 -0.775,438 0.5,439 -0.435,440 2,441 0.073,442 -1,443 -1,445 -2.085,446 -0.9,447 0.5,448 -0.6,449 2,451 -1,452 -1.264,454 -2.347,455 -0.964,456 0.333,457 -0.839,458 1.758,460 -1,461 -1.425,463 -2.544,464 -1,465 0.282,466 -1,467 1.555,468 -0.033,469 -1,470 -1.5,472 -3,473 -1,474 9.567,475 0.478,476 0.615,477 0.031,478 26.25,479 1.313,480 14,481 0.7,482 12.25,483 0.613,484 13.837,485 0.692,486 21.933,487 0.548,488 18.366,489 0.918,490 5.54,491 0.277,492 3.931,493 0.197,494 0.192,495 0.042,496 0.209,501 0.768,502 1.429,503 0.873,504 1.202,505 0.624,506 1.071,507 0.882,508 0.927,509 0.867,510 0.842,511 0.434,512 0.827,513 1.316,514 1.234,515 1.268,516 1.189,517 1.071,518 1.22,519 0.61,520 0.992,521 0.916,522 0.981,523 0.453,524 0.981,525 0.516,526 1.074,527 1.027,528 1.131,529 0.783,530 1.143,531 0.601,532 0.942,533 0.858,534 0.978,535 0.676,536 0.956,537 1.285,538 0.82,539 1.043,540 0.844,541 0.711,542 0.913,543 0.927,544 1.005,545 0.9,546 1.05,547 0.916,548 0.975,549 5.5,550 0.054,551 2.222,552 1.438,553 1.093,554 0.688,555 0.282,556 0.267,557 0.082,558 0.07,559 3641,560 9158,561 1.955,562 50,564 17,568 3,572 1.615,573 1.805,574 3.173,575 -0.836,577 1,579 1,582 54.952,583 1.374,584 2.894,585 3.733,586 4.246,587 4.315,588 4.315,589 2.69,590 3.346,591 4.288,592 3.333,593 633.187,594 7.316,595 6525.76,596 1,597 1,599 1,600 212.877,601 1.619,602 4.225,603 0.262,604 0.008,605 0.077,606 0.053,607 0.044,608 0.031,609 0.016,610 0.019,611 0.006,612 0.01,613 0.525,614 0.83,615 1,616 1.113,617 89.358,618 0.023,619 -0.257,620 0.058,621 -0.124,622 -0.06,623 -0.047,624 0.147,625 0.211,626 0.116,627 0.14,628 0.225,629 0.137,630 -0.201,631 -0.185,632 -0.296,633 -0.181,634 -0.173,635 -0.243,636 0.004,637 -0.01,638 0.023,639 -0.005,640 0.063,641 0.011,642 0.063,643 -0.098,644 -0.101,645 -0.134,646 -0.027,647 -0.139,648 0.054,649 -0.031,650 0.089,651 -0.01,652 0.017,653 0.037,654 -0.053,655 0.096,656 -0.035,657 0.104,658 -0.086,659 0.04,660 0.038,661 -0.031,662 0.078,663 -0.085,664 0.145,665 -0.004,666 1.962,667 3.91,668 0.6,669 16.72,670 0.991,671 1.122,672 0.011,674 0.654,675 3.091,676 3.401,677 3.526,678 3.714,679 3.85,680 3.807,681 3.85,682 3.85,683 3.497,684 3.497,685 5.456,686 0.611,687 270.38,688 3.091,689 4.615,690 5.416,691 6.282,692 7.106,693 7.977,694 8.811,695 9.685,696 10.525,697 11.402,698 2.5,712 1,715 9,720 3,722 12,741 40,743 13,744 2,745 21,747 41,748 17,749 12,750 3,751 9,756 2,757 2,763 1,772 13,773 4,777 1,782 1,786 1,789 1,790 1,793 20,794 2,796 3,802 1,803 1,807 1,808 1,809 2,829 2,846 1,859 2,864 3,868 20,876 1,878 1,883 1,893 5,896 1,898 1,901 11.083,902 8.083,903 4.375,904 2.354,907 2.137,908 1.348,909 0.917,910 4.331,911 8.281,912 3.367,913 3.912,914 4.331,915 4.832,916 5.316,917 5.29,918 5.544,919 5.758,920 5.703,921 6.019,922 1,923 27,924 7.353,926 2.947,927 0.026,929 7.708,931 14.129,933 11.041,936 2.208,937 44.167,938 0.001,941 235.422,942 131.387,945 36.145,948 131.387,949 271.567,951 25.618,952 2.106,953 85.286,954 32.336,955 22.186,957 235.422,959 235.422,960 131.387,961 36.145,964 235.422,965 36.145,968 10.931,969 120.456,972 235.422,973 36.145,974 131.387,977 235.422,978 20.483,979 110.904,981 36.145,982 235.422,983 36.145,984 131.387,986 0.581,987 0.305,988 0.157,989 0.083,990 13,991 6,992 0.122,993 5,995 1,996 3.209,997 139.681,999 12,1000 76.439,1005 14.448,1006 5.995,1007 4.016,1009 36.145,1010 18.071,1015 3.048,1018 402.954,1019 28,1024 10.91,1028 -0.296,1031 39.651,1032 44.862,1034 0.258,1035 0.544,1036 0.701,1037 0.798,1038 0.811,1039 0.811,1040 4.585,1041 1,1042 5.442,1043 2.275,1044 4.078,1045 4.595,1046 2.603,1047 6.26,1048 3.999,1049 5.801,1051 7.017,1052 2.136,1053 3.892,1054 4.35,1055 2.394,1056 7.535,1057 3.7,1058 7.108,1059 -0.152,1060 8.717,1062 5.74,1063 6.689,1064 3.9,1065 10.517,1066 5.533,1067 8.449,1068 -0.826,1069 10.499,1070 -0.4,1071 6.347,1072 7.132,1073 4.31,1074 12.645,1075 5.997,1076 9.819,1077 -1,1078 12.338,1079 -2,1080 7.768,1081 9.034,1082 5.503,1083 15.288,1084 7.394,1085 11.211,1086 -1,1087 14.218,1088 -2.085,1089 8.724,1090 9.818,1091 6.169,1092 17.693,1093 8.21,1094 12.621,1095 -1,1096 16.127,1097 -2.347,1098 9.997,1099 11.502,1100 7.213,1101 20.251,1102 9.438,1103 3.392,1104 -1,1105 18.058,1106 -2.544,1107 11.105,1108 12.484,1109 7.995,1110 22.74,1111 10.422,1112 2.593,1113 12.508,1114 20.005,1115 -3,1116 12.332,1117 14.04,1118 8.964,1119 25.276,1120 11.585,1121 2.425,1122 7.33,1123 21.963,1124 3.872,1125 13.504,1126 15.148,1127 9.802,1128 27.791,1129 12.649,1130 2,1131 6.897,1132 23.929,1133 3.457,1134 14.72,1135 16.623,1136 10.734,1137 30.32,1138 13.791,1139 1.582,1140 5.086,1141 25.902,1142 3.189,1143 15.918,1144 17.814,1145 11.6,1146 32.843,1147 14.893,1148 1.386,1149 4.287,1150 27.879,1151 2.596,1152 17.134,1153 19.239,1154 12.512,1155 35.37,1156 16.028,1157 1,1158 3.023,1159 29.859,1160 2.141,1161 18.344,1162 20.484,1163 13.391,1164 37.895,1165 17.149,1166 3724,1167 6000,1168 13.405,1169 26.148,1170 31.533,1171 31.505,1172 31.617,1173 30.866,1174 30.753,1175 40.299,1176 8.467,1177 87.082,1178 29.705,1179 5.332,1180 5.748,1181 7.11,1182 5.336,1183 5.392,1184 6.872,1185 4.174,1186 19.847,1187 5.128,1188 10.768,1189 1.502,1190 1.5,1191 1.506,1192 1.47,1193 1.464,1194 1.919,1195 0.403,1196 4.147,1197 1.415,1198 4.022,1199 4.067,1200 3.955,1201 3.916,1202 7.434,1203 3.919,1204 3.86,1205 3.888,1206 3.792,1207 3.797,1208 4.836,1209 3.792,1210 3.604,1211 3.656,1212 3.505,1213 3.378,1214 4.739,1215 3.396,1216 3.444,1217 3.488,1218 3.319,1219 3.225,1220 4.334,1221 3.24,1222 2.983,1223 3.063,1224 2.804,1225 2.848,1226 4.035,1227 2.828,1228 2.874,1229 3.009,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 2.854,1235 2.925,1236 2.687,1237 2.735,1238 3.674,1239 2.715,1240 2.854,1241 2.925,1242 2.595,1243 2.618,1244 3.653,1245 2.578,1246 0.215,1247 0.178,1248 0.348,1249 0.205,1250 0.162,1251 4.505,1252 0.184,1253 3.748,1254 0.116,1255 7.308,1256 0.596,1257 4.313,1258 0.149,1259 3.392,1260 3.872,1261 2.443,1262 12.508,1263 3.128,1264 1.971,1265 1.935,1266 2.098,1267 2.113,1268 1.309,1269 2.111,1270 1.863,1271 1.837,1272 1.985,1273 1.951,1274 1.068,1275 1.964,1276 1.542,1277 1.476,1278 1.779,1279 1.78,1280 0.88,1281 1.778,1282 1.387,1283 1.338,1284 1.674,1285 1.632,1286 0.69,1287 1.644,1288 1.017,1289 0.942,1290 1.417,1291 1.239,1292 0.512,1293 1.308,1294 0.934,1295 0.821,1296 1.35,1297 1.218,1298 0.469,1299 1.268,1300 0.886,1301 0.821,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.886,1307 0.804,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 3.761,1314 5.069,1316 6.564,1318 8.141,1320 9.76,1322 5.727,1328 0.91,1330 5.054,1335 0.74,1340 24.456,1341 54.952,1342 115.765,1343 149.328,1344 169.858,1345 172.612,1346 172.612,1347 30.157,1348 6.144,1349 26.3,1350 26.3,1351 12,1352 11.948,1353 3.807,1354 3,1355 36.547,1356 64,1357 62,1358 0.284,1359 154.812,1360 267.56,1361 369.502,1362 3046,1364 14.588,1365 0.729,1366 0.611,1367 14.588,1368 12.22,1369 9.471,1370 0.451,1371 0.324,1372 6.706,1373 9.126,1374 6.415,1375 5.434,1376 9.471,1377 6.802,1378 9.044,1379 0.312,1380 0.195,1381 9.044,1382 5.664,1383 6.296,1384 0.191,1385 0.103,1386 6.296,1387 3.386,1388 5.148,1389 0.129,1390 0.059,1391 5.148,1392 2.348,1393 3.802,1394 0.083,1395 0.032,1396 3.802,1397 1.454,1398 0.442,1399 59.042,1400 0.273,1401 20.124,1402 0.781,1403 100,1404 265.804,1405 108.974,1406 257.666,1407 348.15,1408 240,1409 112,1410 255.163,1411 120.481,1412 259.386,1413 368,1414 242,1415 5}
{0 CHEMBL62373,1 1.371,2 9.955,3 3.951,4 15.612,5 89.84,6 6.09,7 0.261,8 3.957,9 4.098,10 3.339,11 3.434,12 4.888,13 3.376,14 4.552,15 4.77,16 3.656,17 3.821,18 5.469,19 3.721,20 4.842,21 5.102,22 3.651,23 3.984,24 5.609,25 3.843,26 4.898,27 5.181,28 3.66,29 3.963,30 5.714,31 3.814,32 4.822,33 5.07,34 3.565,35 3.897,36 5.728,37 3.765,38 4.733,39 5,40 3.479,41 3.86,42 5.517,43 3.696,44 4.67,45 4.94,46 3.338,47 3.767,48 5.469,49 3.591,50 4.597,51 4.88,52 3.166,53 3.601,54 5.435,55 3.42,56 0.051,57 0.687,58 12.399,59 4.854,60 7.408,61 7.034,62 0.367,63 1.086,64 22.461,65 7.758,66 32.697,67 11.685,68 0.276,69 1.32,70 29.254,71 9.956,72 27.536,73 15.042,74 0.261,75 1.3,76 30.555,77 10.504,78 38.283,79 15.707,80 0.396,81 1.195,82 29.167,83 9.445,84 47.77,85 13.855,86 0.272,87 1.142,88 25.918,89 9.429,90 28.451,91 13.869,92 0.203,93 1.056,94 24.202,95 8.698,96 25.922,97 12.891,98 0.343,99 0.922,100 22.792,101 7.49,102 34.895,103 11.17,104 27,105 30,106 0.237,107 0.512,108 0.729,109 0.844,110 0.858,111 0.858,112 3.146,113 1.094,114 -3.94,115 -3.9,116 -3.7,121 36,122 3,123 3,124 1,127 3,129 1,144 4,145 1,146 1,161 1,176 8,179 1,180 5,183 2,185 2,187 9,192 5,200 6,206 10,211 2,214 6,219 4,224 2,227 6,231 1,232 4,237 2,239 9,244 1,249 1,251 7,255 1,256 2,259 1,261 1,264 6,269 1,277 3,281 676,282 14.662,283 14.662,284 14.662,285 14.662,286 14.662,287 13.809,288 21.031,289 9.032,290 14.957,291 11.369,292 11.369,293 11.369,294 11.369,295 11.369,296 10.035,297 25.89,298 4.252,299 11.835,300 4.273,301 2.686,302 1.431,303 0.765,304 0.685,305 0.685,306 3.808,310 1,311 1,312 1,313 443,314 3.464,318 150.564,325 1.595,326 15.481,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 47,338 219,339 4.19,340 3.676,341 6.198,342 3.917,343 2.934,344 3.738,345 2.186,346 9.303,347 2.888,348 3.802,349 3.162,350 5.51,351 3.548,352 2.615,353 2.991,354 0.8,355 7.472,356 2.428,357 3.561,358 2.757,359 5.291,360 3.348,361 2.401,362 2.689,363 0.366,364 6.776,365 2.267,366 3.31,367 2.497,368 4.997,369 3.111,370 2.161,371 2.405,373 5.956,374 2.043,375 2.943,376 2.231,377 4.322,378 2.734,379 1.749,380 1.958,382 4.243,383 1.704,384 2.736,385 1.592,386 4.131,387 2.452,388 1.462,389 1.795,391 3.699,392 1.442,393 2.527,394 1.314,395 3.506,396 2.216,397 1.224,398 1.533,400 2.657,401 1.211,402 2.147,403 1.065,404 3.459,405 1.992,406 1,407 1.126,409 2.409,410 0.991,411 2,412 1.034,413 3.111,414 1.983,415 1,416 1,418 1.73,419 0.981,420 1.185,421 0.731,422 2.734,423 0.826,424 -0.083,425 -0.094,427 -0.224,428 -0.075,429 0.822,430 0.201,431 2.511,432 0.688,433 -0.282,434 -0.283,436 -0.487,437 -0.273,438 0.753,439 -0.14,440 2,441 0.515,442 -0.493,443 -0.58,445 -1.176,446 -0.484,447 0.698,448 -0.267,449 2,450 0.437,451 -0.557,452 -0.667,454 -1.4,455 -0.55,456 0.449,457 -0.524,458 1.721,460 -1,461 -1,463 -2,464 -0.968,465 0.186,466 -0.884,467 1.589,468 -0.006,469 -1,470 -1,472 -2.12,473 -0.99,474 10.467,475 0.476,476 0.506,477 0.023,478 21.5,479 0.977,480 8,481 0.364,482 13.5,483 0.614,484 21.954,485 0.998,486 26.133,487 0.523,488 13.917,489 0.633,490 3.774,491 0.172,492 6.806,493 0.309,494 0.175,496 0.277,501 0.804,502 1.548,503 1.005,504 1.355,505 0.63,506 1.221,507 0.648,508 1.16,509 0.984,510 1.095,511 0.384,512 1.071,513 1.053,514 1.044,515 1.059,516 1.037,517 0.755,518 1.037,519 0.925,520 0.991,521 0.849,522 0.975,523 0.77,524 0.911,525 1.845,526 0.955,527 1.193,528 0.941,529 1.955,530 0.994,531 0.865,532 1.045,533 0.986,534 1.063,535 0.768,536 1.048,537 0.907,538 1.13,539 1.043,540 1.149,541 1.012,542 1.12,543 1.244,544 0.904,545 1.093,546 0.965,547 1.485,548 1.012,549 5,550 0.087,551 1.556,552 1.375,553 0.764,554 0.625,555 0.426,556 0.215,557 0.226,558 0.117,559 4655,560 9229,561 1.969,562 56,563 5,564 11,567 1,569 11,572 1.645,573 1.833,574 3.322,575 -0.354,577 1,582 68.528,583 1.371,584 2.958,585 4.213,586 4.879,587 4.959,588 4.959,589 2.754,590 4.096,591 4.427,592 3.442,593 795.012,594 7.606,595 8929.03,597 1,599 1,600 282.193,601 1.435,602 4.382,603 0.217,604 0.01,605 0.052,606 0.047,607 0.026,608 0.024,609 0.018,610 0.011,611 0.014,612 0.009,613 0.428,614 0.5,615 1,616 1.684,617 102.254,618 0.01,619 -0.198,620 0.049,621 -0.093,622 -0.022,623 -0.029,624 0.315,625 0.019,626 0.048,627 -0.015,628 0.272,629 -0.014,630 -0.09,631 0.016,632 -0.06,633 -0.027,634 -0.044,635 -0.034,636 0.031,637 -0.026,638 0.125,639 0.007,640 0.143,641 0.072,642 -0.247,643 0.025,644 -0.134,645 0.041,646 -0.208,647 -0.027,648 0.032,649 -0.045,650 -0.014,651 -0.036,652 -0.006,653 -0.034,654 -0.036,655 -0.138,656 -0.077,657 -0.131,658 -0.086,659 -0.112,660 -0.019,661 0.041,662 -0.091,663 -0.022,664 -0.128,665 -0.065,666 2.052,667 4.706,668 0.545,669 19.405,670 0.987,671 1.136,672 2.713,673 7.359,674 0.616,675 3.178,676 3.434,677 3.584,678 3.829,679 3.97,680 3.989,681 4.078,682 4.094,683 4.094,684 4.007,685 5.869,686 0.566,687 304.48,688 3.178,689 4.673,690 5.468,691 6.315,692 7.132,693 7.987,694 8.813,695 9.671,696 10.504,697 11.363,698 4,701 1,705 1,715 4,720 2,722 6,737 1,741 50,743 7,744 1,745 23,747 51,748 18,749 6,750 2,751 4,756 2,757 2,763 3,767 2,768 1,770 4,772 7,773 11,774 1,777 1,782 1,786 1,790 1,793 28,794 4,795 1,796 4,802 2,808 1,809 2,829 2,855 1,859 2,864 3,868 22,876 6,877 1,878 1,880 2,881 1,893 4,896 1,898 1,901 12,902 9.533,903 5.028,904 3.46,907 1.251,908 1.194,909 0.912,910 6.561,911 7.716,912 3.332,913 3.75,914 4.099,915 4.581,916 4.979,917 5.071,918 5.327,919 5.508,920 5.55,921 5.549,922 0.857,923 29,924 8.181,926 3.286,927 0.026,929 7.576,931 16.157,933 12.969,936 2.076,937 45.667,938 0.001,940 1,941 317.82,942 93.493,943 21.135,945 36.145,948 93.493,949 353.965,950 21.135,951 26.476,952 31.931,953 37.905,954 25.145,955 22.553,956 6.763,957 317.82,959 317.82,960 114.628,961 36.145,964 188.338,965 165.627,968 61.531,969 53.096,972 317.82,973 57.28,974 93.493,977 317.82,978 29.112,979 67.505,980 18.011,981 36.145,982 317.82,983 57.28,984 93.493,986 0.559,987 0.298,988 0.17,989 0.087,990 12,991 6,992 0.118,993 6,995 1,996 3.416,997 157.533,999 12,1000 96.107,1005 17.138,1006 8.422,1007 5.495,1009 57.28,1010 7.982,1015 1.902,1017 18.011,1018 468.592,1019 27,1024 11.706,1028 -0.386,1031 49.345,1032 56.813,1034 0.243,1035 0.524,1036 0.746,1037 0.864,1038 0.879,1039 0.879,1040 4.549,1041 1,1042 5.425,1043 2.657,1044 4.111,1045 4.431,1046 2.351,1047 6.146,1048 4.034,1049 5.674,1050 1,1051 6.923,1052 2.409,1053 3.611,1054 4.06,1055 1.847,1056 6.843,1057 3.489,1058 6.921,1059 -0.083,1060 8.515,1061 1.73,1062 5.609,1063 6.341,1064 3.504,1065 9.891,1066 5.449,1067 8.192,1068 -0.282,1069 10.161,1070 -0.224,1071 5.861,1072 6.718,1073 3.598,1074 11.392,1075 5.664,1076 9.494,1077 -0.493,1078 11.842,1079 -0.487,1080 7.357,1081 8.559,1082 4.907,1083 13.94,1084 7.132,1085 10.816,1086 -0.557,1087 13.548,1088 -1.176,1089 7.987,1090 9.313,1091 5.29,1092 15.814,1093 7.737,1094 12.155,1095 -1,1096 15.273,1097 -1.4,1098 9.246,1099 10.948,1100 6.387,1101 18.163,1102 8.975,1103 2.934,1104 -1,1105 17.012,1106 -2,1107 10.077,1108 11.915,1109 6.93,1110 20.219,1111 9.791,1112 2.615,1113 9.303,1114 18.762,1115 -2.12,1116 11.222,1117 13.435,1118 7.902,1119 22.488,1120 10.922,1121 2.401,1122 7.472,1123 20.522,1124 3.738,1125 12.161,1126 14.53,1127 8.539,1128 24.633,1129 11.85,1130 2.161,1131 6.776,1132 22.291,1133 2.991,1134 13.255,1135 15.98,1136 9.436,1137 26.873,1138 12.933,1139 1.749,1140 5.956,1141 24.066,1142 2.689,1143 14.251,1144 17.154,1145 10.13,1146 29.06,1147 13.921,1148 1.462,1149 4.243,1150 25.847,1151 2.405,1152 15.323,1153 18.559,1154 10.981,1155 31.289,1156 14.984,1157 1.224,1158 3.699,1159 27.634,1160 1.958,1161 16.35,1162 19.785,1163 11.71,1164 33.497,1165 16.004,1166 4808,1167 6910,1168 14.909,1169 30.819,1170 33.322,1171 34.204,1172 34.345,1173 33.151,1174 33.092,1175 38.47,1176 6.705,1177 88.493,1178 31.916,1179 5.19,1180 5.676,1181 5.968,1182 4.978,1183 4.934,1184 6.738,1185 3.889,1186 15.643,1187 4.888,1188 12.095,1189 1.449,1190 1.487,1191 1.493,1192 1.441,1193 1.439,1194 1.673,1195 0.292,1196 3.848,1197 1.388,1198 3.993,1199 4.031,1200 3.918,1201 3.908,1202 7.435,1203 3.905,1204 3.773,1205 3.825,1206 3.665,1207 3.624,1208 4.815,1209 3.623,1210 3.682,1211 3.751,1212 3.555,1213 3.491,1214 4.361,1215 3.491,1216 3.525,1217 3.602,1218 3.328,1219 3.382,1220 4.313,1221 3.358,1222 3.263,1223 3.282,1224 3.158,1225 3.01,1226 4.126,1227 3.028,1228 3.106,1229 3.185,1230 2.926,1231 2.913,1232 4.017,1233 2.931,1234 3.055,1235 3.158,1236 2.827,1237 2.819,1238 3.666,1239 2.807,1240 2.874,1241 3.009,1242 2.672,1243 2.644,1244 3.537,1245 2.645,1246 0.182,1247 0.16,1248 0.269,1249 0.17,1250 0.128,1251 4.19,1252 0.163,1253 3.676,1254 0.095,1255 6.198,1256 0.404,1257 3.917,1258 0.126,1259 2.934,1260 3.738,1261 2.186,1262 9.303,1263 2.888,1264 1.96,1265 1.929,1266 2.107,1267 2.079,1268 1.453,1269 2.091,1270 1.751,1271 1.696,1272 1.944,1273 1.927,1274 1.157,1275 1.93,1276 1.649,1277 1.578,1278 1.916,1279 1.862,1280 1.095,1281 1.882,1282 1.556,1283 1.482,1284 1.846,1285 1.741,1286 1.043,1287 1.782,1288 1.165,1289 1.114,1290 1.47,1291 1.443,1292 0.761,1293 1.413,1294 1.071,1295 1.031,1296 1.417,1297 1.348,1298 0.633,1299 1.379,1300 1.049,1301 0.951,1302 1.415,1303 1.315,1304 0.469,1305 1.34,1306 0.934,1307 0.804,1308 1.232,1309 1.239,1310 0.378,1311 1.308,1312 3.85,1314 5.118,1316 6.569,1318 8.11,1320 9.698,1322 6.065,1328 7.132,1329 2.745,1330 5.367,1332 0.619,1333 2.535,1340 28.321,1341 68.528,1342 147.886,1343 210.644,1344 243.928,1345 247.928,1346 247.928,1347 39.843,1348 6.465,1349 41.57,1350 41.57,1351 12,1352 11.92,1353 3,1354 2.322,1355 42.247,1356 76,1357 78,1358 0.274,1359 178.517,1360 313.36,1361 427.342,1362 4782,1364 15.949,1365 0.725,1366 0.635,1367 15.949,1368 13.97,1369 10.58,1370 0.46,1371 0.365,1372 8.297,1373 10.212,1374 7.999,1375 6.761,1376 10.58,1377 8.388,1378 9.345,1379 0.311,1380 0.213,1381 9.345,1382 6.401,1383 6.62,1384 0.189,1385 0.114,1386 6.62,1387 3.992,1388 5.876,1389 0.131,1390 0.068,1391 5.876,1392 3.051,1393 4.175,1394 0.08,1395 0.04,1396 4.175,1397 2.074,1398 0.429,1399 65.893,1400 0.259,1401 21.879,1402 0.749,1403 106,1404 271.449,1405 116.889,1406 258.655,1407 349.78,1408 242,1409 118,1410 254.994,1411 127.479,1412 256.108,1413 370.4,1414 240,1415 5}
{0 CHEMBL62664,1 1.372,2 19.167,3 6.013,4 36.151,5 147.206,6 5.962,7 0.154,8 4.486,9 4.63,10 3.862,11 3.937,12 5.336,13 3.881,14 5.129,15 5.353,16 4.205,17 4.375,18 5.933,19 4.282,20 5.421,21 5.679,22 4.253,23 4.58,24 6.125,25 4.435,26 5.535,27 5.826,28 4.155,29 4.605,30 6.219,31 4.423,32 5.489,33 5.781,34 4.01,35 4.505,36 6.202,37 4.302,38 5.405,39 5.723,40 3.868,41 4.329,42 6.066,43 4.127,44 5.167,45 5.45,46 3.832,47 4.171,48 5.931,49 4.01,50 5.112,51 5.388,52 3.774,53 4.115,54 5.945,55 3.965,56 0.092,57 1.186,58 21.684,59 8.089,60 10.851,61 12.006,62 0.604,63 1.929,64 40.593,65 13.287,66 42.493,67 20.341,68 0.498,69 2.386,70 52.252,71 18.028,72 37.916,73 27.436,74 0.524,75 2.489,76 57.296,77 19.484,78 48.861,79 29.94,80 0.528,81 2.244,82 54.4,83 18.83,84 54.02,85 28.434,86 0.596,87 1.899,88 49.608,89 16.186,90 48.88,91 24.651,92 0.499,93 1.61,94 40.175,95 12.987,96 41.474,97 19.658,98 0.573,99 1.534,100 38.616,101 11.715,102 50.907,103 17.972,104 17,105 53,106 0.211,107 0.432,108 0.652,109 0.761,110 0.81,111 0.844,112 3.614,113 1.102,114 -4.63,115 -4.55,116 -4.28,121 34.5,122 1,123 10,125 1,126 2,127 7,130 1,144 3,145 1,146 2,161 1,176 13,179 2,180 8,183 2,185 1,187 13,191 1,192 9,197 1,200 11,206 8,211 3,214 8,218 1,219 9,224 3,227 6,231 1,232 5,237 2,239 5,243 1,244 6,247 1,249 3,251 6,255 1,256 4,259 1,261 1,264 6,269 5,274 1,277 7,281 2864,282 24.465,283 24.465,284 24.465,285 24.465,286 24.465,287 23.649,288 32.09,289 15.025,290 25.111,291 19.283,292 19.283,293 19.283,294 19.283,295 19.283,296 17.916,297 42.083,298 7.237,299 20.273,300 5.02,301 3.578,302 2.147,303 1.443,304 1.122,305 0.902,306 4.31,312 1,313 1499,314 4.743,317 181.413,318 255.332,320 145.958,321 155.788,324 216.089,325 2.991,326 23.954,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 77,338 690,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 3.983,349 3.663,350 6.211,351 3.64,352 2.69,353 3.318,354 0.966,355 8.828,356 2.559,357 3.683,358 2.885,359 6.169,360 3.439,361 2.522,362 2.886,363 0.86,364 8.458,365 2.31,366 3.522,367 2.821,368 5.451,369 3.402,370 2.461,371 2.604,372 0.8,373 7.187,374 2.297,375 3.476,376 2.742,377 5.34,378 3.307,379 2.373,380 2.522,381 0.693,382 6.965,383 2.203,384 3.307,385 2.506,386 4.864,387 3.002,388 2.043,389 2.424,390 0.366,391 5.477,392 1.956,393 2.931,394 2.176,395 4.696,396 2.913,397 1.918,398 1.931,400 4.381,401 1.898,402 2.75,403 1.947,404 4.214,405 2.719,406 1.732,407 1.748,409 3.865,410 1.709,411 2.617,412 1.789,413 3.937,414 2.479,415 1.542,416 1.631,418 3.509,419 1.448,420 2.548,421 1.745,422 3.777,423 2.415,424 1.475,425 1.547,427 3.164,428 1.383,429 2.517,430 1.529,431 3.723,432 2.273,433 1.335,434 1.52,436 3.06,437 1.232,438 2.36,439 1.256,440 3.622,441 2.128,442 1.134,443 1.354,445 2.764,446 1.126,447 2.033,448 1.189,449 3.424,450 1.975,451 1.005,452 1.02,454 2.136,455 0.969,456 2,457 1.171,458 3.247,459 1.952,460 1,461 1,463 2.086,464 0.946,465 1.785,466 0.931,467 3.144,468 1.696,469 0.732,470 0.761,472 1.815,473 0.704,474 17.1,475 0.475,476 0.771,477 0.021,478 32,479 0.889,480 8.5,481 0.236,482 23.5,483 0.653,484 44.723,485 1.242,486 43.5,487 0.518,488 22.06,489 0.613,490 5.333,491 0.148,492 12.154,493 0.338,494 0.107,495 0.029,496 0.216,501 0.857,502 1.699,503 1.019,504 1.438,505 0.641,506 1.27,507 1.042,508 1.09,509 1.068,510 1.026,511 0.547,512 1.034,513 0.935,514 1.171,515 1.04,516 1.111,517 0.696,518 1.091,519 0.86,520 1.008,521 1.018,522 1.031,523 0.778,524 1.034,525 0.873,526 1.092,527 1.021,528 1.134,529 1.111,530 1.105,531 1.07,532 0.819,533 0.855,534 0.834,535 1.129,536 0.829,537 1.224,538 1.009,539 0.979,540 1.001,541 1.424,542 0.976,543 1.6,544 0.927,545 1.125,546 0.926,547 2.358,548 0.969,549 6,550 0.131,551 3.778,552 3.333,553 1.397,554 0.736,555 0.532,556 0.356,557 0.258,558 0.161,559 26974,560 49189,561 2.066,562 57.1,563 17,564 23,565 1,567 1,569 6,572 1.761,573 1.955,574 4.111,575 -0.41,582 115.24,583 1.372,584 2.814,585 4.246,586 4.95,587 5.27,588 5.49,589 3.555,590 4.948,591 5.14,592 4.393,593 2767.69,594 8.957,595 52489.2,600 536.955,601 1.391,602 5.105,603 0.154,604 0.005,605 0.071,606 0.062,607 0.03,608 0.019,609 0.016,610 0.011,611 0.008,612 0.006,613 0.381,614 0.33,615 0.75,616 0.496,617 207.563,618 0.031,619 -0.286,620 0.08,621 -0.125,622 0.018,623 -0.033,624 0.11,625 0.125,626 0.012,627 0.063,628 0.182,629 0.034,630 -0.025,631 -0.078,632 -0.032,633 -0.045,634 0.016,635 -0.042,636 -0.055,637 0.011,638 -0.045,639 -0.028,640 0.033,641 -0.031,642 0.013,643 -0.129,644 -0.057,645 -0.131,646 -0.027,647 -0.106,648 0.011,649 0.046,650 0.109,651 0.09,652 -0.021,653 0.107,654 0.015,655 -0.055,656 0.032,657 -0.026,658 0.013,659 -0.002,660 -0.109,661 0.051,662 -0.071,663 0.023,664 -0.133,665 -0.017,666 2.011,667 5.337,668 0.5,669 54.648,670 0.986,671 1.14,672 3.403,673 11.577,674 0.609,675 3.689,676 3.989,677 4.263,678 4.554,679 4.727,680 4.779,681 4.942,682 4.997,683 4.963,684 4.956,685 11.219,686 0.557,687 500.81,688 3.689,689 5.22,690 6.066,691 6.95,692 7.828,693 8.735,694 9.638,695 10.563,696 11.484,697 12.421,698 4.8,701 2,704 1,705 1,715 3,720 3,722 6,736 1,737 1,741 84,743 7,744 1,745 39,747 87,748 29,749 6,750 3,751 3,756 4,757 7,763 1,764 1,766 1,767 1,770 10,772 7,773 22,777 1,782 1,786 1,793 48,794 7,795 1,796 7,802 4,808 0.5,809 3,825 1,828 2,829 2,831 1,832 1,835 1,855 2,858 1,859 2,864 3,868 36,876 17,877 1,878 2,880 1,881 3,882 1,893 3.6,896 1,897 1,898 1,901 18.417,902 15.433,903 8.069,904 5.74,907 1.219,908 1.152,909 0.929,910 10.35,911 9.241,912 3.784,913 4.197,914 4.618,915 5.096,916 5.53,917 5.756,918 6.106,919 6.34,920 6.39,921 6.4,922 1,923 54,924 13.463,926 5.575,927 0.026,929 7.424,931 27.183,933 22.87,936 1.924,937 69.25,941 553.242,942 117.054,943 27.384,945 47.145,948 117.054,949 600.386,950 27.384,951 25.618,952 63.069,953 28.429,954 36.145,955 31.559,956 18.534,957 541.471,959 553.242,960 144.437,961 47.145,964 482.615,965 106.771,966 11,968 78.143,969 66.294,972 553.242,973 74.528,974 117.054,977 553.242,978 63.007,979 63.42,980 18.011,981 47.145,982 553.242,983 74.528,984 117.054,986 0.569,987 0.328,988 0.18,989 0.093,990 23,991 10,992 0.161,993 14,994 2,995 1.222,996 5.005,997 309.991,998 0.222,999 18,1000 180.117,1005 27.691,1006 13.455,1007 7.165,1009 74.528,1010 6.092,1015 3.178,1017 18.011,1018 744.824,1019 43,1024 12.337,1028 -0.344,1031 82.828,1032 95.756,1034 0.215,1035 0.44,1036 0.664,1037 0.774,1038 0.824,1039 0.859,1040 5.053,1041 1.732,1042 6.052,1043 4.381,1044 4.673,1045 4.883,1046 2.654,1047 6.915,1048 4.58,1049 6.183,1050 1.542,1051 7.641,1052 3.865,1053 4.29,1054 4.62,1055 1.961,1056 8.207,1057 4.165,1058 7.469,1059 1.475,1060 9.364,1061 3.509,1062 6.319,1063 6.818,1064 3.576,1065 11.391,1066 6.152,1067 8.8,1068 1.335,1069 11.181,1070 3.164,1071 6.889,1072 7.465,1073 3.621,1074 13.68,1075 6.715,1076 10.184,1077 1.134,1078 13.066,1079 3.06,1080 8.395,1081 9.181,1082 4.921,1083 16.509,1084 8.192,1085 11.606,1086 1.005,1087 15.001,1088 2.764,1089 9.412,1090 10.243,1091 5.294,1092 19.114,1093 9.209,1094 13.06,1095 1,1096 16.972,1097 2.136,1098 10.761,1099 11.791,1100 6.39,1101 21.866,1102 10.537,1103 3.737,1104 0.732,1105 18.971,1106 2.086,1107 11.965,1108 13.044,1109 6.931,1110 24.56,1111 11.736,1112 2.69,1113 15.306,1114 20.99,1115 1.815,1116 13.277,1117 14.527,1118 7.902,1119 27.295,1120 13.031,1121 2.522,1122 8.828,1123 23.024,1124 4.206,1125 14.552,1126 15.872,1127 8.539,1128 30.013,1129 14.294,1130 2.461,1131 8.458,1132 25.07,1133 3.318,1134 15.862,1135 17.329,1136 9.436,1137 32.743,1138 15.586,1139 2.373,1140 7.187,1141 27.124,1142 2.886,1143 17.163,1144 18.717,1145 10.13,1146 35.468,1147 16.87,1148 2.043,1149 6.965,1150 29.184,1151 2.604,1152 18.475,1153 20.163,1154 10.981,1155 38.197,1156 18.163,1157 1.918,1158 5.477,1159 31.25,1160 2.522,1161 19.786,1162 21.574,1163 11.71,1164 40.924,1165 19.455,1166 25382,1167 34489,1168 26.118,1169 51.137,1170 57.142,1171 58.24,1172 59.196,1173 57.059,1174 56.996,1175 62.569,1176 11.742,1177 161.385,1178 54.334,1179 5.832,1180 5.973,1181 7.951,1182 5.817,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 16.703,1189 1.465,1190 1.493,1191 1.518,1192 1.463,1193 1.461,1194 1.604,1195 0.301,1196 4.138,1197 1.393,1198 4.094,1199 4.133,1200 4.039,1201 3.996,1202 7.435,1203 4.002,1204 3.861,1205 3.926,1206 3.723,1207 3.715,1208 4.835,1209 3.701,1210 3.777,1211 3.84,1212 3.652,1213 3.601,1214 4.628,1215 3.601,1216 3.711,1217 3.757,1218 3.604,1219 3.563,1220 4.451,1221 3.567,1222 3.65,1223 3.714,1224 3.5,1225 3.492,1226 4.258,1227 3.485,1228 3.508,1229 3.574,1230 3.369,1231 3.314,1232 4.175,1233 3.31,1234 3.358,1235 3.423,1236 3.203,1237 3.121,1238 4.095,1239 3.14,1240 3.279,1241 3.371,1242 3.1,1243 3.058,1244 3.997,1245 3.053,1246 0.124,1247 0.102,1248 0.205,1249 0.121,1250 0.096,1251 4.832,1252 0.108,1253 3.973,1254 0.056,1255 8.006,1256 0.392,1257 4.714,1258 0.094,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.903,1265 1.884,1266 2.072,1267 2.012,1268 1.437,1269 2.029,1270 1.83,1271 1.769,1272 2.005,1273 1.997,1274 1.334,1275 1.997,1276 1.756,1277 1.692,1278 1.992,1279 1.955,1280 1.31,1281 1.974,1282 1.653,1283 1.59,1284 1.906,1285 1.857,1286 1.219,1287 1.879,1288 1.632,1289 1.575,1290 1.832,1291 1.836,1292 1.084,1293 1.837,1294 1.535,1295 1.455,1296 1.788,1297 1.757,1298 1.057,1299 1.776,1300 1.488,1301 1.418,1302 1.771,1303 1.711,1304 1.012,1305 1.731,1306 1.293,1307 1.229,1308 1.593,1309 1.562,1310 0.874,1311 1.57,1312 4.369,1314 5.673,1315 3.045,1316 7.172,1317 5.638,1318 8.781,1319 7.921,1320 10.464,1322 6.69,1328 19.567,1329 2.931,1330 11.039,1332 0.372,1333 7.307,1334 0.081,1340 46.82,1341 115.24,1342 236.401,1343 356.626,1344 415.777,1345 442.716,1346 461.18,1347 70.687,1348 8.023,1349 57.28,1350 57.28,1351 22,1352 12.923,1353 3,1354 2.322,1355 63.319,1356 246,1357 246,1358 0.119,1359 286.831,1360 509.73,1361 691.628,1362 45359,1364 25.382,1365 0.705,1366 0.636,1367 25.382,1368 22.897,1369 17.487,1370 0.448,1371 0.367,1372 14.125,1373 16.774,1374 13.736,1375 11.421,1376 17.487,1377 14.323,1378 15.314,1379 0.289,1380 0.213,1381 15.314,1382 11.264,1383 12.634,1384 0.18,1385 0.122,1386 12.634,1387 8.536,1388 10.738,1389 0.114,1390 0.069,1391 10.738,1392 6.475,1393 8.189,1394 0.073,1395 0.039,1396 8.189,1397 4.36,1398 0.204,1399 109.664,1400 0.196,1401 34.905,1402 0.286,1403 184,1404 434.475,1405 201.986,1406 408.051,1407 559.97,1408 386,1409 215,1410 408.278,1411 233.575,1412 411.236,1413 607.01,1414 385,1415 7.398}
{0 CHEMBL63173,1 1.472,2 13.483,3 2.819,4 7.948,5 114.999,6 6.39,7 0.188,8 4.228,9 4.365,10 3.673,11 3.662,12 5.142,13 3.632,14 4.862,15 5.076,16 4.054,17 4.108,18 5.745,19 4.052,20 5.123,21 5.352,22 4.107,23 4.328,24 5.917,25 4.22,26 5.274,27 5.55,28 3.993,29 4.36,30 6.032,31 4.206,32 5.214,33 5.491,34 3.82,35 4.233,36 6.013,37 4.053,38 5.1,39 5.409,40 3.649,41 3.992,42 5.841,43 3.821,44 4.775,45 5.034,46 3.611,47 3.753,48 5.698,49 3.647,50 4.658,51 4.901,52 3.561,53 3.659,54 5.679,55 3.584,56 0.039,57 0.918,58 15.842,59 5.691,60 7.803,61 8.499,62 0.556,63 1.493,64 30.904,65 9.26,66 38.613,67 14.388,68 0.41,69 1.853,70 39.293,71 12.994,72 31.823,73 19.807,74 0.467,75 1.953,76 45.432,77 14.546,78 44.092,79 22.629,80 0.484,81 1.707,82 42.829,83 14.134,84 50.991,85 21.361,86 0.545,87 1.362,88 38.609,89 11.523,90 47.128,91 17.792,92 0.542,93 1.077,94 28.484,95 7.971,96 41.399,97 12.29,98 0.514,99 0.98,100 25.662,101 6.674,102 44.074,103 10.368,104 17,105 46,106 0.24,107 0.511,108 0.743,109 0.835,110 0.855,111 0.855,112 3.407,113 1.015,114 -3.2,115 -3.19,116 -3.06,121 34.9,122 1,123 3,125 1,126 2,127 7,130 1,144 3,145 1,146 2,161 1,176 6,179 2,180 8,183 2,185 1,187 6,191 1,192 9,197 1,200 5,206 7,211 2,214 3,218 1,219 8,222 1,224 2,227 2,231 1,232 2,237 1,239 2,243 3,244 2,247 1,249 2,251 4,255 1,259 2,264 3,269 3,277 3,281 1419,282 19.515,283 19.515,284 19.515,285 19.515,286 19.515,287 18.699,288 32.09,289 11.525,290 20.161,291 15.783,292 15.783,293 15.783,294 15.783,295 15.783,296 14.416,297 42.083,298 5.487,299 16.773,300 4.505,301 2.843,302 1.425,303 0.861,304 0.734,305 0.734,306 4.102,311 1,312 1,313 859,314 3.937,317 124.945,318 178.255,320 100.707,321 107.157,324 149.409,325 2.088,326 23.039,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 63,338 391,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 3.983,349 3.663,350 6.211,351 3.64,352 2.69,353 3.318,354 0.966,355 8.828,356 2.559,357 3.683,358 2.885,359 6.169,360 3.44,361 2.522,362 2.886,363 0.86,364 8.458,365 2.314,366 3.522,367 2.821,368 5.451,369 3.401,370 2.461,371 2.604,372 0.8,373 7.187,374 2.293,375 3.475,376 2.742,377 5.34,378 3.306,379 2.372,380 2.521,381 0.693,382 6.965,383 2.201,384 3.307,385 2.506,386 4.864,387 2.99,388 2.035,389 2.424,390 0.366,391 5.476,392 1.931,393 2.696,394 2.176,395 4.696,396 2.625,397 1.666,398 1.694,400 4.381,401 1.595,402 2.615,403 1.776,404 4.214,405 2.421,406 1.485,407 1.629,409 3.422,410 1.388,411 2.519,412 1.743,413 3.759,414 2.285,415 1.385,416 1.524,418 3.06,419 1.227,420 2.422,421 1.256,422 3.721,423 2.128,424 1.133,425 1.415,427 2.94,428 1.126,429 2,430 1.171,431 3.527,432 1.952,433 1,434 1,436 2.136,437 0.946,438 1.818,439 1.126,440 3.247,441 1.723,442 0.775,443 0.796,445 1.85,446 0.73,447 1.775,448 0.924,449 3.093,450 1.671,451 0.708,452 0.739,454 1.597,455 0.678,456 1.233,457 0.697,458 3.076,459 0.957,460 0.037,461 0.04,463 0.092,464 0.034,465 1,466 0.287,467 2.744,468 0.793,469 -0.179,470 -0.202,472 -0.417,473 -0.17,474 13.6,475 0.469,476 0.771,477 0.027,478 28.5,479 0.983,480 8.5,481 0.293,482 20,483 0.69,484 31.288,485 1.079,486 34.4,487 0.546,488 20.871,489 0.72,490 5.333,491 0.184,492 8.654,493 0.298,494 0.135,495 0.037,496 0.272,501 0.854,502 1.75,503 0.92,504 1.421,505 0.632,506 1.208,507 1.06,508 0.972,509 0.98,510 0.866,511 0.54,512 0.886,513 0.989,514 1.231,515 1.081,516 1.156,517 0.728,518 1.135,519 0.871,520 1.008,521 1.04,522 1.044,523 0.784,524 1.053,525 0.881,526 1.078,527 1.047,528 1.174,529 1.142,530 1.147,531 1.099,532 0.815,533 0.826,534 0.812,535 1.182,536 0.795,537 1.362,538 0.981,539 1.004,540 0.947,541 1.657,542 0.939,543 1.752,544 0.899,545 1.15,546 0.885,547 2.687,548 0.924,549 6,550 0.127,551 3.778,552 3.333,553 1.397,554 0.736,555 0.491,556 0.387,557 0.258,558 0.179,559 12603,560 25718,561 2.082,562 54,563 3,564 23,565 1,567 1,569 6,572 1.711,573 1.944,574 3.63,575 -0.336,577 1,582 92.733,583 1.472,584 3.135,585 4.553,586 5.116,587 5.243,588 5.243,589 3.06,590 4.651,591 4.827,592 3.868,593 1570.34,594 8.363,595 22546,597 1,600 376.569,601 1.548,602 4.781,603 0.188,604 0.006,605 0.082,606 0.071,607 0.035,608 0.024,609 0.018,610 0.015,611 0.01,612 0.008,613 0.457,614 0.5,615 1,616 0.562,617 150.934,618 0.003,619 -0.367,620 0.091,621 -0.164,622 -0.006,623 -0.044,624 0.075,625 0.232,626 0.062,627 0.176,628 0.172,629 0.13,630 -0.074,631 -0.103,632 -0.092,633 -0.076,634 -0.02,635 -0.087,636 -0.082,637 0.015,638 -0.079,639 -0.042,640 0.011,641 -0.052,642 0.008,643 -0.125,644 -0.087,645 -0.169,646 -0.058,647 -0.147,648 0.005,649 0.006,650 0.154,651 0.103,652 -0.041,653 0.142,654 0.063,655 -0.037,656 0.041,657 -0.009,658 -0.01,659 0.002,660 -0.094,661 0.1,662 -0.061,663 0.033,664 -0.167,665 -0.005,666 2.034,667 5.222,668 0.621,669 32.057,670 0.994,671 1.14,672 1.97,673 3.879,674 0.616,675 3.497,676 3.85,677 4.159,678 4.477,679 4.663,680 4.718,681 4.89,682 4.956,683 4.92,684 4.92,685 7.881,686 0.574,687 402.6,688 3.497,689 5.056,690 5.927,691 6.836,692 7.735,693 8.661,694 9.578,695 10.515,696 11.447,697 12.392,698 6.3,701 2,704 1,705 1,715 3,720 3,722 6,736 1,737 1,741 63,743 7,744 1,745 32,747 66,748 22,749 6,750 3,751 3,756 4,757 7,763 1,764 1,766 1,767 1,770 3,772 7,773 15,777 1,782 1,786 1,790 1,793 34,794 7,795 1,796 7,802 4,808 0.5,809 3,825 1,828 2,829 2,831 1,832 1,835 1,855 2,858 1,859 2,864 3,868 29,876 10,877 1,878 2,880 1,881 3,882 1,893 4.8,896 1,897 1,898 1,901 14.917,902 11.933,903 6.319,904 3.99,907 1.252,908 1.162,909 0.939,910 6.349,911 8.996,912 3.611,913 4.086,914 4.546,915 5.052,916 5.502,917 5.734,918 6.09,919 6.331,920 6.381,921 6.395,922 0.889,923 47,924 10.815,926 4.575,927 0.026,929 7.526,931 21.467,933 18.203,936 2.026,937 58.75,940 1,941 388.446,942 99.312,943 27.384,945 47.145,948 99.312,949 435.591,950 27.384,951 25.618,952 45.328,953 28.429,954 36.145,955 31.559,956 18.534,957 376.675,959 388.446,960 126.696,961 47.145,964 317.82,965 106.771,966 11,968 60.401,969 66.294,972 388.446,973 74.528,974 99.312,977 388.446,978 45.265,979 63.42,980 18.011,981 47.145,982 388.446,983 74.528,984 99.312,986 0.585,987 0.346,988 0.193,989 0.1,990 23,991 10,992 0.106,993 7,994 2,995 1.222,996 4.169,997 250.54,998 0.222,999 18,1000 136.881,1005 20.916,1006 8.803,1007 4.265,1009 74.528,1010 6.04,1015 3.143,1017 18.011,1018 562.287,1019 36,1024 12.222,1028 -0.368,1031 62.643,1032 71.849,1034 0.246,1035 0.524,1036 0.762,1037 0.856,1038 0.877,1039 0.877,1040 4.909,1041 1.485,1042 5.948,1043 4.381,1044 4.533,1045 4.771,1046 2.654,1047 6.858,1048 4.425,1049 6.076,1050 1.385,1051 7.571,1052 3.422,1053 4.29,1054 4.62,1055 1.961,1056 8.207,1057 4.165,1058 7.39,1059 1.133,1060 9.321,1061 3.06,1062 6.24,1063 6.771,1064 3.576,1065 11.384,1066 6.059,1067 8.745,1068 1,1069 11.156,1070 2.94,1071 6.889,1072 7.465,1073 3.621,1074 13.68,1075 6.715,1076 10.146,1077 0.775,1078 13.053,1079 2.136,1080 8.363,1081 9.167,1082 4.921,1083 16.509,1084 8.152,1085 11.581,1086 0.708,1087 14.994,1088 1.85,1089 9.412,1090 10.243,1091 5.294,1092 19.114,1093 9.209,1094 13.043,1095 0.037,1096 16.969,1097 1.597,1098 10.75,1099 11.787,1100 6.39,1101 21.866,1102 10.524,1103 3.737,1104 -0.179,1105 18.969,1106 0.092,1107 11.965,1108 13.044,1109 6.931,1110 24.56,1111 11.736,1112 2.69,1113 15.306,1114 20.989,1115 -0.417,1116 13.274,1117 14.527,1118 7.902,1119 27.295,1120 13.028,1121 2.522,1122 8.828,1123 23.024,1124 4.206,1125 14.552,1126 15.872,1127 8.539,1128 30.013,1129 14.294,1130 2.461,1131 8.458,1132 25.07,1133 3.318,1134 15.861,1135 17.328,1136 9.436,1137 32.743,1138 15.585,1139 2.372,1140 7.187,1141 27.124,1142 2.886,1143 17.163,1144 18.717,1145 10.13,1146 35.468,1147 16.87,1148 2.035,1149 6.965,1150 29.184,1151 2.604,1152 18.475,1153 20.162,1154 10.981,1155 38.197,1156 18.163,1157 1.666,1158 5.476,1159 31.25,1160 2.521,1161 19.786,1162 21.574,1163 11.71,1164 40.924,1165 19.455,1166 11858,1167 17059,1168 21.266,1169 38.807,1170 48.262,1171 49.364,1172 50.245,1173 47.992,1174 48.013,1175 53.588,1176 11.742,1177 143.399,1178 45.356,1179 5.832,1180 5.973,1181 7.808,1182 5.817,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 13.936,1189 1.508,1190 1.543,1191 1.57,1192 1.5,1193 1.5,1194 1.675,1195 0.367,1196 4.481,1197 1.417,1198 4.092,1199 4.13,1200 4.038,1201 3.995,1202 7.435,1203 4.001,1204 3.837,1205 3.902,1206 3.711,1207 3.639,1208 4.835,1209 3.645,1210 3.716,1211 3.759,1212 3.633,1213 3.564,1214 4.627,1215 3.569,1216 3.629,1217 3.694,1218 3.498,1219 3.436,1220 4.451,1221 3.439,1222 3.392,1223 3.443,1224 3.279,1225 3.12,1226 4.226,1227 3.155,1228 3.279,1229 3.373,1230 3.105,1231 3.05,1232 4.099,1233 3.048,1234 3.237,1235 3.331,1236 3.039,1237 3.022,1238 3.944,1239 3.017,1240 3.111,1241 3.206,1242 2.872,1243 2.941,1244 3.894,1245 2.91,1246 0.151,1247 0.124,1248 0.25,1249 0.147,1250 0.117,1251 4.832,1252 0.131,1253 3.973,1254 0.068,1255 8.006,1256 0.478,1257 4.714,1258 0.114,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.903,1265 1.884,1266 2.008,1267 2.008,1268 1.332,1269 2.009,1270 1.777,1271 1.712,1272 1.999,1273 1.99,1274 1.31,1275 1.992,1276 1.634,1277 1.579,1278 1.861,1279 1.845,1280 1.154,1281 1.851,1282 1.607,1283 1.542,1284 1.831,1285 1.835,1286 1.057,1287 1.837,1288 1.533,1289 1.452,1290 1.787,1291 1.751,1292 1.012,1293 1.773,1294 1.281,1295 1.225,1296 1.582,1297 1.585,1298 0.825,1299 1.571,1300 1.206,1301 1.111,1302 1.528,1303 1.474,1304 0.764,1305 1.506,1306 1.153,1307 1.064,1308 1.513,1309 1.376,1310 0.644,1311 1.429,1312 4.174,1314 5.517,1315 3.045,1316 7.059,1317 5.638,1318 8.702,1319 7.921,1320 10.413,1322 6.657,1328 9.608,1329 2.885,1330 10.946,1332 0.369,1333 7.169,1334 0.078,1340 36.132,1341 92.733,1342 197.488,1343 286.82,1344 322.304,1345 330.304,1346 330.304,1347 48.011,1348 7.744,1349 57.28,1350 57.28,1351 22,1352 12.888,1353 3,1354 2.322,1355 45.285,1356 137,1357 145,1358 0.158,1359 219.685,1360 388.63,1361 527.791,1362 27131,1364 20.433,1365 0.705,1366 0.619,1367 20.433,1368 17.947,1369 13.987,1370 0.437,1371 0.338,1372 10.625,1373 13.274,1374 10.305,1375 8.504,1376 13.987,1377 10.823,1378 12.839,1379 0.279,1380 0.191,1381 12.839,1382 8.789,1383 10.884,1384 0.173,1385 0.108,1386 10.884,1387 6.786,1388 9.501,1389 0.109,1390 0.06,1391 9.501,1392 5.237,1393 7.314,1394 0.07,1395 0.033,1396 7.314,1397 3.498,1398 0.258,1399 88.664,1400 0.217,1401 28.269,1402 0.405,1403 156,1404 406.475,1405 173.986,1406 378.92,1407 519.65,1408 358,1409 187,1410 380.278,1411 205.575,1412 382.105,1413 566.69,1414 357,1415 4.678}
{0 CHEMBL636,1 1.437,2 7.889,3 2.599,4 6.757,5 73.369,6 6.259,7 0.333,8 3.73,9 3.87,10 3.129,11 3.157,12 4.761,13 3.113,14 4.28,15 4.518,16 3.429,17 3.484,18 5.266,19 3.419,20 4.435,21 4.642,22 3.496,23 3.671,24 5.41,25 3.58,26 4.654,27 4.903,28 3.4,29 3.692,30 5.648,31 3.561,32 4.585,33 4.866,34 3.27,35 3.579,36 5.503,37 3.435,38 4.318,39 4.561,40 3.122,41 3.443,42 5.233,43 3.301,44 4.285,45 4.55,46 2.904,47 3.302,48 5.19,49 3.135,50 4.092,51 4.37,52 2.731,53 3.108,54 4.999,55 2.94,56 0.024,57 0.54,58 9.686,59 3.536,60 7.376,61 5.252,62 0.384,63 0.79,64 17.285,65 5.075,66 27.855,67 7.98,68 0.151,69 0.917,70 19.749,71 6.88,72 20.64,73 10.075,74 0.308,75 0.97,76 24.727,77 7.808,78 49.65,79 11.573,80 0.365,81 0.874,82 22.932,83 7.054,84 44.5,85 10.656,86 0.154,87 0.744,88 17.326,89 5.952,90 25.209,91 8.828,92 0.302,93 0.663,94 16.989,95 5.382,96 30.808,97 8.021,98 0.141,99 0.564,100 13.738,101 4.207,102 25.038,103 6.643,104 47,105 24,106 0.263,107 0.527,108 0.718,109 0.82,110 0.82,111 0.82,112 2.959,113 1.024,114 -3.35,115 -3.33,116 -3.19,121 35,122 2,126 3,127 1,129 1,144 4,145 1,146 1,161 1,176 4,179 3,180 5,187 5,192 4,200 4,206 8,214 1,218 1,219 6,227 1,232 2,239 2,243 2,244 2,251 2,264 1,269 1,277 1,281 372,282 11.491,283 11.491,284 11.491,285 11.491,286 11.491,287 10.662,288 16.989,289 6.7,290 11.862,291 8.736,292 8.736,293 8.736,294 8.736,295 8.736,296 7.412,297 22.66,298 3.044,299 9.245,300 3.885,301 2.445,302 1.401,303 0.844,304 0.844,305 0.844,306 3.581,310 1,311 1,312 1,313 272,314 3.873,318 66.397,325 1.247,326 13.511,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 39,338 142,339 4.203,340 3.773,341 6.301,342 3.914,343 2.948,344 3.743,345 2.208,346 9.308,347 2.853,348 3.914,349 3.254,350 5.911,351 3.661,352 2.733,353 3.102,354 0.916,355 8.126,356 2.515,357 3.572,358 2.673,359 5.329,360 3.283,361 2.339,362 2.759,363 0.655,364 6.681,365 2.203,366 3.014,367 2.166,368 4.741,369 2.726,370 1.787,371 2.112,372 0.172,373 4.835,374 1.67,375 2.658,376 2.055,377 3.844,378 2.268,379 1.298,380 1.719,381 0.13,382 2.951,383 1.248,384 2.5,385 1.313,386 3.494,387 2.129,388 1.137,389 1.424,391 2.534,392 1.118,393 1.738,394 0.766,395 3.143,396 1.582,397 0.612,398 0.674,400 1.391,401 0.592,402 1.211,403 0.672,404 2.669,405 1.132,406 0.175,407 0.179,409 0.239,410 0.166,411 1.165,412 0.373,413 2,414 0.73,415 -0.244,416 -0.318,418 -0.588,419 -0.233,420 0.627,421 -0.363,422 2,423 0.233,424 -0.766,425 -0.979,427 -1.911,428 -0.763,429 0.481,430 -0.6,431 1.622,432 -0.001,433 -1,434 -1,436 -2,437 -0.9,439 -0.661,440 1.48,441 -0.1,442 -1,443 -1.338,445 -2.614,446 -0.985,447 -0.18,448 -0.926,449 1.285,450 -0.365,451 -1.304,452 -1.445,454 -2.851,455 -1.223,456 -0.351,457 -1.179,458 1.24,459 -0.451,460 -1.407,461 -1.484,462 -0.4,463 -3.807,464 -1.333,465 -0.466,466 -1.216,467 1.031,468 -0.63,469 -1.576,470 -1.871,471 -0.4,472 -4.396,473 -1.497,474 8.467,475 0.47,476 0.548,477 0.03,478 19.25,479 1.069,480 8,481 0.444,482 11.25,483 0.625,484 14.848,485 0.825,486 21.533,487 0.538,488 13.959,489 0.775,490 4.025,491 0.224,492 4.427,493 0.246,494 0.335,496 0.331,501 0.793,502 1.799,503 0.966,504 1.487,505 0.652,506 1.281,507 0.808,508 0.786,509 0.86,510 0.726,511 0.452,512 0.762,513 1.073,514 1.247,515 1.074,516 1.256,517 0.772,518 1.171,519 1.457,520 1.095,521 1.121,522 1.091,523 1.501,524 1.074,525 1.273,526 0.809,527 0.948,528 0.804,529 1.398,530 0.835,531 1.017,532 1.232,533 1.091,534 1.243,535 0.911,536 1.193,537 1.243,538 0.935,539 1.161,540 1.017,541 1.201,542 1.084,543 0.959,544 1.217,545 1.06,546 1.141,547 1.362,548 1.117,549 4.5,551 2.444,552 1.25,553 0.822,554 0.521,555 0.366,556 0.259,557 0.144,558 0.04,559 2304,560 5366,561 1.817,562 55,564 16,569 6,572 1.588,573 1.636,574 3.024,575 -0.763,577 1,579 1,582 57.467,583 1.437,584 2.877,585 3.921,586 4.478,587 4.478,588 4.478,589 2.489,590 3.837,591 4.142,592 3.127,593 478.488,594 7.034,595 4599.91,596 1,597 1,599 1,600 212.877,601 1.585,602 4.044,603 0.25,605 0.102,606 0.05,607 0.039,608 0.027,609 0.023,610 0.022,611 0.014,612 0.007,613 0.534,614 0.67,615 1,616 1.928,617 76.791,618 0.022,619 -0.444,620 0.05,621 -0.237,622 -0.06,623 -0.113,624 0.282,625 0.374,626 0.178,627 0.26,628 0.229,629 0.222,630 -0.07,631 -0.1,632 -0.069,633 -0.149,634 0.024,635 -0.108,636 -0.151,637 -0.137,638 -0.105,639 -0.099,640 -0.107,641 -0.099,642 -0.059,643 0.093,644 0.05,645 0.133,646 -0.094,647 0.107,648 -0.069,649 -0.205,650 -0.119,651 -0.193,652 -0.053,653 -0.168,654 -0.045,655 0.014,656 -0.162,657 -0.055,658 -0.097,659 -0.127,660 -0.065,661 -0.246,662 -0.096,663 -0.182,664 -0.023,665 -0.151,666 1.993,667 4.652,668 0.333,669 12.519,670 0.992,671 1.139,672 2.118,673 4.488,674 0.613,675 2.944,676 3.219,677 3.367,678 3.401,679 3.497,680 3.466,681 3.466,682 3.401,683 3.045,684 2.639,685 4.878,686 0.569,687 250.38,688 2.944,689 4.443,690 5.242,691 6.075,692 6.897,693 7.735,694 8.563,695 9.404,696 10.234,697 11.076,698 5,701 1,705 1,715 4,720 2,722 6,737 1,741 40,743 7,744 1,745 18,747 40,748 14,749 6,750 2,751 4,756 1,757 1,763 2,770 1,772 7,773 7,777 1,782 1,786 1,790 1,793 22,794 4,796 4,802 2,808 1,809 2,829 1,855 1,859 1,864 5,868 18,876 1,878 1,880 1,881 2,893 5,896 1,898 1,901 11,902 8.65,903 4.167,904 2.414,907 1.26,908 1.223,909 0.881,910 5.476,911 6.902,912 3.135,913 3.597,914 3.994,915 4.39,916 4.815,917 4.854,918 5.03,919 5.101,920 4.66,921 4.336,922 1,923 25,924 6.639,926 2.55,927 0.026,929 7.741,931 12.697,933 9.41,936 2.241,937 40.333,938 0.001,941 258.964,942 98.042,943 6.249,945 36.145,948 98.042,949 295.109,950 6.249,951 42.84,952 5.23,953 37.905,954 25.145,955 22.553,956 6.763,957 258.964,959 258.964,960 104.29,961 36.145,964 188.338,965 106.771,968 26.005,969 78.286,972 258.964,973 42.393,974 98.042,977 258.964,978 17.297,979 86.993,981 36.145,982 258.964,983 42.393,984 98.042,986 0.578,987 0.336,988 0.141,989 0.068,990 9,991 6,992 0.125,993 5,995 1,996 2.879,997 114.114,999 6,1000 69.059,1005 14.839,1006 6.642,1007 4.197,1009 42.393,1010 7.648,1015 1.718,1018 399.399,1019 22,1024 11.652,1028 -0.327,1031 39.694,1032 45.567,1034 0.27,1035 0.541,1036 0.737,1037 0.841,1038 0.841,1039 0.841,1040 4.35,1041 0.175,1042 5.242,1043 1.391,1044 3.892,1045 4.277,1046 2.458,1047 5.999,1048 3.787,1049 5.522,1050 -0.244,1051 6.797,1052 0.239,1053 3.611,1054 4.06,1055 1.905,1056 6.862,1057 3.438,1058 6.798,1059 -0.766,1060 8.45,1061 -0.588,1062 5.451,1063 6.275,1064 3.555,1065 9.862,1066 5.24,1067 8.105,1068 -1,1069 10.156,1070 -1.911,1071 5.916,1072 6.765,1073 3.668,1074 11.459,1075 5.639,1076 9.439,1077 -1,1078 11.892,1079 -2,1080 7.286,1081 8.558,1082 4.96,1083 13.998,1084 6.979,1085 10.79,1086 -1.304,1087 13.648,1088 -2.614,1089 8.069,1090 9.373,1091 5.372,1092 15.907,1093 7.704,1094 12.154,1095 -1.407,1096 15.418,1097 -2.851,1098 9.256,1099 10.98,1100 6.459,1101 18.264,1102 8.864,1103 2.948,1104 -1.576,1105 17.198,1106 -3.807,1107 10.183,1108 11.976,1109 7.028,1110 20.324,1111 9.742,1112 2.733,1113 9.308,1114 18.986,1115 -4.396,1116 11.295,1117 13.479,1118 7.994,1119 22.602,1120 10.826,1121 2.339,1122 8.126,1123 20.781,1124 3.743,1125 12.291,1126 14.587,1127 8.654,1128 24.739,1129 11.779,1130 1.787,1131 6.681,1132 22.581,1133 3.102,1134 13.372,1135 16.026,1136 9.549,1137 26.982,1138 12.832,1139 1.298,1140 4.835,1141 24.385,1142 2.759,1143 14.401,1144 17.206,1145 10.263,1146 29.159,1147 13.823,1148 1.137,1149 2.951,1150 26.192,1151 2.112,1152 15.47,1153 18.603,1154 11.116,1155 31.388,1156 14.865,1157 0.612,1158 2.534,1159 28.003,1160 1.719,1161 16.517,1162 19.832,1163 11.862,1164 33.586,1165 15.877,1166 2560,1167 4013,1168 10.751,1169 24.534,1170 26.087,1171 26.942,1172 28.199,1173 26.104,1174 26.059,1175 31.424,1176 8.163,1177 72.13,1178 24.728,1179 5.061,1180 5.773,1181 5.849,1182 4.973,1183 4.948,1184 6.743,1185 3.912,1186 15.845,1187 4.853,1188 12.355,1189 1.449,1190 1.497,1191 1.567,1192 1.45,1193 1.448,1194 1.746,1195 0.454,1196 4.007,1197 1.374,1198 3.956,1199 3.986,1200 3.894,1201 3.873,1202 7.433,1203 3.873,1204 3.682,1205 3.749,1206 3.582,1207 3.438,1208 4.817,1209 3.458,1210 3.579,1211 3.658,1212 3.436,1213 3.383,1214 4.356,1215 3.384,1216 3.232,1217 3.304,1218 3.066,1219 2.991,1220 4.252,1221 2.99,1222 3.171,1223 3.271,1224 2.923,1225 2.953,1226 4.073,1227 2.938,1228 2.997,1229 3.053,1230 2.762,1231 2.762,1232 3.815,1233 2.756,1234 2.874,1235 3.009,1236 2.602,1237 2.618,1238 3.735,1239 2.599,1240 2.779,1241 2.851,1242 2.525,1243 2.618,1244 3.497,1245 2.57,1246 0.234,1247 0.21,1248 0.35,1249 0.217,1250 0.164,1251 4.203,1252 0.208,1253 3.773,1254 0.123,1255 6.301,1256 0.517,1257 3.914,1258 0.158,1259 2.948,1260 3.743,1261 2.208,1262 9.308,1263 2.853,1264 1.922,1265 1.897,1266 2.044,1267 2.033,1268 1.223,1269 2.037,1270 1.611,1271 1.538,1272 1.874,1273 1.875,1274 1.039,1275 1.873,1276 1.549,1277 1.471,1278 1.806,1279 1.775,1280 0.897,1281 1.79,1282 1.218,1283 1.126,1284 1.599,1285 1.484,1286 0.677,1287 1.523,1288 1.182,1289 1.092,1290 1.567,1291 1.453,1292 0.622,1293 1.5,1294 0.934,1295 0.885,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.929,1301 0.804,1302 1.151,1303 1.239,1304 0.211,1305 1.205,1306 0.796,1307 0.726,1308 1.092,1309 0.997,1310 0.164,1311 1.038,1312 3.611,1314 4.89,1316 6.358,1318 7.901,1320 9.483,1322 9.78,1328 0.632,1330 5.306,1332 0.285,1333 3.64,1340 22.74,1341 57.467,1342 115.064,1343 156.838,1344 179.103,1345 179.103,1346 179.103,1347 35.549,1348 5.642,1349 32.78,1350 32.78,1351 6,1352 11.642,1353 3,1354 2.322,1355 41.715,1356 52,1357 50,1358 0.408,1359 147.541,1360 256.52,1361 351.761,1362 1461,1364 13.707,1365 0.761,1366 0.656,1367 13.707,1368 11.805,1369 8.452,1370 0.47,1371 0.341,1372 6.033,1373 8.032,1374 5.67,1375 4.879,1376 8.452,1377 6.147,1378 7.494,1379 0.312,1380 0.191,1381 7.494,1382 4.594,1383 5.939,1384 0.212,1385 0.111,1386 5.939,1387 3.106,1388 3.729,1389 0.129,1390 0.05,1391 3.729,1392 1.444,1393 2.611,1394 0.082,1395 0.027,1396 2.611,1397 0.852,1398 0.627,1399 53.507,1400 0.305,1401 18.079,1402 1.149,1403 84,1404 254.761,1405 94.583,1406 241.345,1407 320.9,1408 224,1409 94,1410 230.134,1411 104.31,1412 234.881,1413 335.27,1414 215,1415 5.551}
{0 CHEMBL640,1 1.43,2 8.647,3 1.128,4 1.272,5 71.751,6 6.194,7 0.353,8 3.677,9 3.837,10 3.051,11 3.125,12 4.711,13 3.073,14 4.204,15 4.439,16 3.3,17 3.45,18 5.162,19 3.359,20 4.435,21 4.701,22 3.331,23 3.572,24 5.375,25 3.454,26 4.484,27 4.748,28 3.169,29 3.545,30 5.426,31 3.382,32 4.51,33 4.836,34 2.974,35 3.408,36 5.321,37 3.206,38 4.244,39 4.566,40 2.917,41 3.209,42 5.147,43 3.042,44 4.034,45 4.29,46 2.83,47 3.086,48 5.101,49 2.973,50 3.897,51 4.125,52 2.66,53 3.067,54 4.918,55 2.926,56 0.05,57 0.536,58 9.237,59 3.207,60 7.697,61 4.983,62 0.179,63 0.775,64 15.678,65 4.843,66 17.787,67 7.821,68 0.222,69 0.879,70 19.639,71 5.997,72 27.236,73 9.526,74 0.195,75 0.852,76 20.456,77 6.464,78 34.887,79 10.094,80 0.289,81 0.765,82 20.728,83 6.018,84 37.037,85 9.777,86 0.228,87 0.616,88 15.868,89 4.768,90 32.859,91 7.629,92 0.191,93 0.523,94 13.268,95 3.797,96 33.062,97 5.904,98 0.158,99 0.498,100 11.461,101 3.742,102 27.332,103 5.614,104 26,105 21,106 0.265,107 0.563,108 0.693,109 0.771,110 0.771,111 0.771,112 2.905,113 1.064,114 -2.95,115 -2.95,116 -2.85,121 34.2,122 2,127 4,144 4,145 1,146 1,160 1,165 1,166 1,167 1,176 4,180 3,183 1,185 3,187 4,189 2,192 2,195 1,197 4,200 2,203 2,206 2,211 3,214 1,216 1,218 1,219 1,224 2,232 2,234 1,235 1,236 1,238 1,244 4,251 2,264 4,271 1,272 1,277 4,281 335,282 11.361,283 11.361,284 11.361,285 11.361,286 11.361,287 10.494,288 15.154,289 6.839,290 11.61,291 8.215,292 8.215,293 8.215,294 8.215,295 8.215,296 6.903,297 15.995,298 3.061,299 8.506,300 3.818,301 2.212,302 1.513,303 1.092,304 1.092,305 1.092,306 3.533,311 1,312 1,313 286,314 3.464,318 63.994,325 1.433,326 14.408,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 36.5,338 147,339 4.179,340 3.556,341 6.026,342 3.817,343 2.813,344 3.756,345 1.058,346 8.571,347 2.819,348 3.66,349 2.782,350 5.271,351 3.365,352 2.444,353 3.013,354 0.8,355 6.644,356 2.265,357 3.439,358 2.523,359 5.021,360 3.258,361 2.278,362 2.443,364 6.018,365 2.21,366 2.865,367 1.856,368 4.172,369 2.502,370 1.536,371 1.922,373 3.831,374 1.478,375 2.5,376 1.557,377 3.414,378 2,379 1,380 1.5,382 2.275,383 1,384 2.171,385 1,386 3.278,387 1.974,388 0.971,389 1.098,391 2.062,392 0.966,393 1.618,394 0.744,395 2.618,396 1.591,397 0.618,398 0.618,400 0.791,401 0.6,402 1.185,403 0.536,404 2.543,405 1.062,406 0.097,407 0.102,409 0.157,410 0.093,411 1.112,412 0.063,413 2,414 0.729,415 -0.256,416 -0.313,418 -0.515,419 -0.249,420 0.539,421 -0.262,422 1.914,423 0.396,424 -0.608,425 -0.675,427 -1.09,428 -0.605,429 0.5,430 -0.781,431 1.552,433 -1,434 -1.481,436 -2.929,437 -1,438 0.033,439 -1,440 1.288,441 -0.221,442 -1.222,443 -1.5,445 -3,446 -1.214,447 -0.184,448 -1.128,449 0.85,450 -0.43,451 -1.378,452 -1.612,454 -3.377,455 -1.309,456 -0.5,457 -1.344,458 0.676,459 -0.691,460 -1.618,461 -1.618,463 -3.791,464 -1.5,465 -0.579,466 -1.531,467 0.586,468 -0.747,469 -1.728,470 -1.966,471 -0.4,472 -4.473,473 -1.703,474 8.033,475 0.473,476 0.332,477 0.02,478 18.25,479 1.074,480 8,481 0.471,482 10.25,483 0.603,484 12.996,485 0.764,486 20.167,487 0.531,488 11.86,489 0.698,490 3.747,491 0.22,492 4.422,493 0.26,494 0.216,496 0.237,501 0.903,502 1.55,503 1.034,504 1.289,505 0.762,506 1.182,507 0.876,508 1.204,509 0.993,510 1.061,511 0.528,512 1.03,513 1.095,514 0.96,515 1.02,516 0.97,517 0.853,518 0.973,519 1.208,520 1.262,521 1.156,522 1.267,523 1.322,524 1.223,525 0.988,526 0.849,527 0.865,528 0.827,529 1.07,530 0.836,531 0.676,532 0.745,533 0.731,534 0.782,535 0.588,536 0.76,537 1.989,538 0.915,539 1.157,540 0.894,541 2.263,542 0.937,543 1.858,544 1.042,545 1.41,546 1.116,547 2.225,548 1.22,549 3.5,550 0.058,551 2,552 0.875,553 0.462,554 0.375,555 0.264,556 0.137,557 0.07,558 0.091,559 2263,560 5147,561 1.869,562 55.3,564 12,567 3,569 6,572 1.563,573 1.729,574 3.129,575 1.193,577 1,579 1,582 54.322,583 1.43,584 3.036,585 3.735,586 4.156,587 4.156,588 4.156,589 2.571,590 3.617,591 4.059,592 3.263,593 443.829,594 6.833,595 4222.85,596 1,597 1,600 199.421,601 1.468,602 3.999,603 0.206,604 0.014,605 0.095,606 0.042,607 0.029,608 0.029,609 0.02,610 0.011,611 0.007,612 0.013,613 0.467,614 0.67,615 1,616 2.297,617 72.532,618 -0.07,619 -0.162,620 0.003,621 -0.055,622 -0.094,623 -0.021,624 0.052,625 -0.027,626 0.02,627 -0.001,628 0.101,629 0.008,630 -0.062,631 0.107,632 -0.018,633 0.024,634 0.037,635 0.016,636 -0.101,637 -0.272,638 -0.171,639 -0.255,640 -0.082,641 -0.228,642 0.054,643 -0.018,644 0.092,645 0.06,646 -0.023,647 0.076,648 0.233,649 0.134,650 0.224,651 0.122,652 0.232,653 0.168,654 -0.277,655 0.043,656 -0.101,657 0.063,658 -0.211,659 0.008,660 -0.384,661 0.014,662 -0.375,663 -0.061,664 -0.382,665 -0.206,666 1.711,667 4.744,668 0.353,669 12.394,670 0.989,671 1.143,672 1.717,673 2.947,674 0.614,675 2.89,676 3.091,677 3.219,678 3.219,679 3.296,680 3.219,681 3.045,682 2.833,683 2.708,684 2.708,685 5.269,686 0.566,687 235.37,688 2.89,689 4.344,690 5.118,691 5.916,692 6.708,693 7.512,694 8.31,695 9.116,696 9.918,697 10.727,698 7.9,701 1,702 1,705 1,715 4,720 2,722 6,729 1,733 1,741 38,743 7,744 1,745 17,747 38,748 13,749 6,750 2,751 4,752 1,756 1,757 1,763 2,772 7,773 6,777 1,782 1,786 1,790 1,793 21,794 4,795 3,796 4,802 3,808 1,809 1,829 1,855 1,859 1,864 2,868 17,869 1,876 4,877 1,881 1,893 2.6,896 1,901 9.833,902 7.033,903 4.111,904 2.481,907 1.167,908 1.214,909 0.917,910 5.841,911 6.622,912 3.091,913 3.512,914 3.917,915 4.254,916 4.685,917 4.647,918 4.462,919 4.004,920 4.018,921 4.15,922 0.833,923 21,924 6.273,926 2.426,927 0.026,929 7.765,931 12.05,933 9.031,936 2.265,937 38.5,938 0.002,941 211.88,942 74.625,943 54.032,945 25.145,948 74.625,949 237.025,950 54.032,951 17.65,952 26.434,953 70.802,954 29.85,955 9.067,957 211.88,959 211.88,960 128.657,961 25.145,964 141.253,965 95.772,968 47.208,969 81.449,972 211.88,973 79.177,974 74.625,977 211.88,978 19.07,979 58.68,980 18.011,981 58.042,982 211.88,983 79.177,984 74.625,986 0.553,987 0.321,988 0.141,989 0.066,990 7,991 4,992 0.158,993 6,995 1,996 2.948,997 99.329,999 6,1000 61.487,1005 13.843,1006 7.173,1007 4.651,1009 79.177,1010 6.947,1015 1.323,1017 50.908,1018 365.682,1019 21,1024 11.744,1028 -0.044,1031 37.585,1032 43.441,1034 0.272,1035 0.578,1036 0.712,1037 0.792,1038 0.792,1039 0.792,1040 4.256,1041 0.097,1042 5.056,1043 0.791,1044 3.761,1045 4.19,1046 1.435,1047 5.727,1048 3.705,1049 5.39,1050 -0.256,1051 6.547,1052 0.157,1053 3.219,1054 3.829,1055 0.325,1056 6.447,1057 3.146,1058 6.64,1059 -0.608,1060 8.134,1061 -0.515,1062 5.231,1063 6.185,1064 1.379,1065 9.375,1066 5.127,1067 7.925,1068 -1,1069 9.776,1070 -1.09,1071 5.485,1072 6.616,1073 0.268,1074 10.884,1075 5.381,1076 9.241,1077 -1.222,1078 11.453,1079 -2.929,1080 6.946,1081 8.48,1082 1.406,1083 13.322,1084 6.82,1085 10.576,1086 -1.378,1087 13.152,1088 -3,1089 7.567,1090 9.279,1091 0.188,1092 15.163,1093 7.453,1094 11.927,1095 -1.618,1096 14.869,1097 -3.377,1098 8.789,1099 10.925,1100 1.462,1101 17.426,1102 8.663,1103 2.813,1104 -1.728,1105 16.597,1106 -3.791,1107 9.595,1108 11.922,1109 0.125,1110 19.423,1111 9.486,1112 2.444,1113 8.571,1114 18.336,1115 -4.473,1116 10.707,1117 13.448,1118 1.533,1119 21.616,1120 10.594,1121 2.278,1122 6.644,1123 20.082,1124 3.756,1125 11.611,1126 14.564,1127 0.082,1128 23.689,1129 11.516,1130 1.536,1131 6.018,1132 21.835,1133 3.013,1134 12.673,1135 16.017,1136 1.613,1137 25.854,1138 12.58,1139 1,1140 3.831,1141 23.594,1142 2.443,1143 13.63,1144 17.208,1145 0.054,1146 27.965,1147 13.554,1148 0.971,1149 2.275,1150 25.358,1151 1.922,1152 14.669,1153 18.614,1154 1.698,1155 30.118,1156 14.599,1157 0.618,1158 2.062,1159 27.126,1160 1.5,1161 15.656,1162 19.852,1163 0.035,1164 32.247,1165 15.601,1166 2456,1167 3805,1168 10.633,1169 23.324,1170 23.568,1171 24.595,1172 25.157,1173 23.517,1174 23.517,1175 28.903,1176 3.717,1177 60.697,1178 22.863,1179 5.098,1180 5.556,1181 5.644,1182 4.823,1183 4.813,1184 6.756,1185 2.117,1186 14.469,1187 4.819,1188 9.977,1189 1.386,1190 1.447,1191 1.48,1192 1.383,1193 1.383,1194 1.7,1195 0.219,1196 3.57,1197 1.345,1198 3.94,1199 3.973,1200 3.883,1201 3.859,1202 7.429,1203 3.86,1204 3.75,1205 3.829,1206 3.613,1207 3.549,1208 5.109,1209 3.553,1210 3.47,1211 3.545,1212 3.357,1213 3.243,1214 4.471,1215 3.255,1216 3.306,1217 3.407,1218 3.04,1219 3.123,1220 4.331,1221 3.089,1222 3.167,1223 3.237,1224 3.003,1225 2.971,1226 4.016,1227 2.974,1228 2.854,1229 2.954,1230 2.687,1231 2.735,1232 3.892,1233 2.715,1234 2.836,1235 2.925,1236 2.647,1237 2.493,1238 3.674,1239 2.518,1240 2.582,1241 2.703,1242 2.295,1243 2.239,1244 3.427,1245 2.232,1246 0.246,1247 0.209,1248 0.354,1249 0.225,1250 0.165,1251 4.179,1252 0.221,1253 3.556,1254 0.062,1255 6.026,1256 0.504,1257 3.817,1258 0.166,1259 2.813,1260 3.756,1261 1.058,1262 8.571,1263 2.819,1264 1.907,1265 1.882,1266 2.013,1267 2.018,1268 1.218,1269 2.018,1270 1.709,1271 1.631,1272 1.955,1273 1.935,1274 1.076,1275 1.947,1276 1.422,1277 1.346,1278 1.725,1279 1.681,1280 0.923,1281 1.69,1282 1.351,1283 1.256,1284 1.709,1285 1.584,1286 0.869,1287 1.638,1288 1.115,1289 1.062,1290 1.322,1291 1.384,1292 0.31,1293 1.377,1294 0.886,1295 0.821,1296 1.181,1297 1.147,1298 0.218,1299 1.153,1300 0.753,1301 0.637,1302 1.143,1303 1.062,1304 0.195,1305 1.107,1306 0.552,1307 0.426,1308 0.994,1309 0.926,1310 0.059,1311 0.958,1312 3.555,1314 4.779,1316 6.196,1318 7.692,1320 9.226,1322 4.233,1326 5.564,1328 3.571,1329 2.896,1333 2.267,1340 21.52,1341 54.322,1342 115.363,1343 141.911,1344 157.911,1345 157.911,1346 157.911,1347 33.611,1348 5.455,1349 58.36,1350 58.36,1351 6,1352 11.318,1353 3,1354 2.322,1355 38.361,1356 53,1357 45,1358 0.357,1359 140.747,1360 241.43,1361 335.183,1362 1215,1364 12.673,1365 0.745,1366 0.622,1367 12.673,1368 10.571,1369 8.168,1370 0.48,1371 0.355,1372 5.955,1373 7.872,1374 5.754,1375 4.864,1376 8.168,1377 6.031,1378 6.611,1379 0.315,1380 0.186,1381 6.611,1382 3.905,1383 5.292,1384 0.22,1385 0.116,1386 5.292,1387 2.781,1388 3.516,1389 0.147,1390 0.067,1391 3.516,1392 1.604,1393 2.367,1394 0.091,1395 0.031,1396 2.367,1397 0.813,1398 0.567,1399 50.942,1400 0.307,1401 17.65,1402 0.948,1403 76,1404 207.026,1405 83.044,1406 202.489,1407 268.42,1408 188,1409 83,1410 188.284,1411 89.684,1412 191.755,1413 273.16,1414 180,1415 6}
{0 CHEMBL64011,1 1.396,2 17.559,3 5.1,4 26.012,5 138.004,6 6.061,7 0.162,8 4.419,9 4.562,10 3.811,11 3.866,12 5.284,13 3.816,14 5.06,15 5.281,16 4.164,17 4.306,18 5.883,19 4.222,20 5.345,21 5.596,22 4.214,23 4.514,24 6.069,25 4.378,26 5.467,27 5.755,28 4.112,29 4.541,30 6.169,31 4.366,32 5.418,33 5.706,34 3.959,35 4.434,36 6.151,37 4.236,38 5.328,39 5.644,40 3.81,41 4.243,42 6.007,43 4.049,44 5.067,45 5.344,46 3.772,47 4.071,48 5.864,49 3.922,50 5.007,51 5.275,52 3.709,53 4.008,54 5.878,55 3.872,56 0.078,57 1.11,58 20.045,59 7.405,60 10.051,61 11.01,62 0.59,63 1.804,64 37.881,65 12.144,66 41.422,67 18.663,68 0.476,69 2.234,70 48.697,71 16.605,72 36.36,73 25.306,74 0.509,75 2.336,76 53.992,77 18.083,78 47.616,79 27.884,80 0.51,81 2.091,82 51.159,83 17.452,84 53.076,85 26.419,86 0.587,87 1.746,88 46.527,89 14.819,90 48.545,91 22.668,92 0.481,93 1.457,94 36.803,95 11.591,96 40.262,97 17.589,98 0.56,99 1.382,100 35.212,101 10.306,102 50.064,103 15.872,104 17,105 51,106 0.218,107 0.453,108 0.681,109 0.792,110 0.837,111 0.86,112 3.559,113 1.08,114 -4.24,115 -4.18,116 -3.95,121 34.6,122 1,123 8,125 1,126 2,127 7,130 1,144 3,145 1,146 2,161 1,176 11,179 2,180 8,183 2,185 1,187 11,191 1,192 9,197 1,200 9,206 8,211 3,214 6,218 1,219 9,224 3,227 4,231 1,232 5,237 2,239 3,243 1,244 6,247 1,249 3,251 4,255 1,256 4,259 1,261 1,264 5,269 4,277 7,281 2408,282 23.051,283 23.051,284 23.051,285 23.051,286 23.051,287 22.235,288 32.09,289 14.025,290 23.696,291 18.283,292 18.283,293 18.283,294 18.283,295 18.283,296 16.916,297 42.083,298 6.737,299 19.273,300 4.889,301 3.385,302 1.921,303 1.208,304 0.92,305 0.773,306 4.255,312 1,313 1301,314 4.528,317 164.939,318 233.332,320 132.76,321 141.551,324 196.624,325 2.728,326 23.779,329 1,330 0.67,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.83,337 73,338 597,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 3.983,349 3.663,350 6.211,351 3.64,352 2.69,353 3.318,354 0.966,355 8.828,356 2.559,357 3.683,358 2.885,359 6.169,360 3.439,361 2.522,362 2.886,363 0.86,364 8.458,365 2.31,366 3.522,367 2.821,368 5.451,369 3.402,370 2.461,371 2.604,372 0.8,373 7.187,374 2.297,375 3.476,376 2.742,377 5.34,378 3.307,379 2.373,380 2.522,381 0.693,382 6.965,383 2.203,384 3.307,385 2.506,386 4.864,387 3.001,388 2.042,389 2.424,390 0.366,391 5.477,392 1.95,393 2.902,394 2.176,395 4.696,396 2.878,397 1.885,398 1.902,400 4.381,401 1.865,402 2.669,403 1.927,404 4.214,405 2.622,406 1.65,407 1.668,409 3.808,410 1.605,411 2.615,412 1.748,413 3.913,414 2.426,415 1.493,416 1.628,418 3.362,419 1.392,420 2.519,421 1.708,422 3.729,423 2.36,424 1.441,425 1.525,427 3.06,428 1.312,429 2.471,430 1.358,431 3.711,432 2.129,433 1.148,434 1.467,436 3.024,437 1.127,438 2.177,439 1.256,440 3.553,441 2.103,442 1.131,443 1.165,445 2.378,446 1.086,447 2,448 1.171,449 3.268,450 1.952,451 1,452 1,454 2.136,455 0.946,456 1.787,457 0.949,458 3.247,459 1.705,460 0.743,461 0.767,463 1.827,464 0.712,465 1.728,466 0.901,467 3.088,468 1.656,469 0.686,470 0.703,472 1.457,473 0.662,474 16.1,475 0.474,476 0.771,477 0.023,478 31,479 0.912,480 8.5,481 0.25,482 22.5,483 0.662,484 40.789,485 1.2,486 40.9,487 0.524,488 21.761,489 0.64,490 5.333,491 0.157,492 11.154,493 0.328,494 0.114,495 0.031,496 0.23,501 0.855,502 1.712,503 0.994,504 1.434,505 0.638,506 1.255,507 1.045,508 1.062,509 1.046,510 0.989,511 0.544,512 1,513 0.947,514 1.185,515 1.048,516 1.121,517 0.702,518 1.1,519 0.862,520 1.008,521 1.023,522 1.034,523 0.779,524 1.038,525 0.878,526 1.099,527 1.027,528 1.145,529 1.119,530 1.115,531 1.085,532 0.806,533 0.85,534 0.82,535 1.144,536 0.815,537 1.271,538 1.014,539 0.988,540 1.002,541 1.479,542 0.975,543 1.677,544 0.923,545 1.151,546 0.917,547 2.475,548 0.967,549 6,550 0.131,551 3.778,552 3.333,553 1.397,554 0.736,555 0.532,556 0.356,557 0.258,558 0.161,559 22148,560 41483,561 2.07,562 56.4,563 13,564 23,565 1,567 1,569 6,572 1.748,573 1.952,574 3.989,575 -0.392,582 108.91,583 1.396,584 2.901,585 4.364,586 5.077,587 5.365,588 5.513,589 3.436,590 4.793,591 5.057,592 4.261,593 2390.67,594 8.798,595 42149.7,600 490.261,601 1.433,602 5.02,603 0.162,604 0.005,605 0.074,606 0.064,607 0.031,608 0.02,609 0.017,610 0.011,611 0.009,612 0.006,613 0.4,614 0.33,615 0.75,616 0.513,617 191.115,618 0.025,619 -0.306,620 0.083,621 -0.134,622 0.013,623 -0.036,624 0.103,625 0.15,626 0.025,627 0.089,628 0.18,629 0.056,630 -0.036,631 -0.084,632 -0.044,633 -0.051,634 0.008,635 -0.05,636 -0.061,637 0.012,638 -0.053,639 -0.031,640 0.028,641 -0.035,642 0.008,643 -0.138,644 -0.064,645 -0.141,646 -0.034,647 -0.116,648 0.006,649 0.05,650 0.117,651 0.099,652 -0.027,653 0.119,654 0.003,655 -0.061,656 0.029,657 -0.029,658 0.001,659 -0.005,660 -0.134,661 0.057,662 -0.087,663 0.025,664 -0.16,665 -0.021,666 2.014,667 5.31,668 0.529,669 47.685,670 0.988,671 1.14,672 3.009,673 9.053,674 0.61,675 3.638,676 3.951,677 4.234,678 4.533,679 4.71,680 4.762,681 4.927,682 4.984,683 4.949,684 4.942,685 10.27,686 0.561,687 472.75,688 3.638,689 5.176,690 6.028,691 6.919,692 7.803,693 8.715,694 9.621,695 10.549,696 11.473,697 12.413,698 5.1,701 2,704 1,705 1,715 3,720 3,722 6,736 1,737 1,741 78,743 7,744 1,745 37,747 81,748 27,749 6,750 3,751 3,756 4,757 7,763 1,764 1,766 1,767 1,770 8,772 7,773 20,777 1,782 1,786 1,793 44,794 7,795 1,796 7,802 4,808 0.5,809 3,825 1,828 2,829 2,831 1,832 1,835 1,855 2,858 1,859 2,864 3,868 34,876 15,877 1,878 2,880 1,881 3,882 1,893 3.8,896 1,897 1,898 1,901 17.417,902 14.433,903 7.569,904 5.24,907 1.228,908 1.154,909 0.931,910 9.14,911 9.177,912 3.738,913 4.167,914 4.598,915 5.084,916 5.522,917 5.75,918 6.101,919 6.336,920 6.386,921 6.397,922 1,923 52,924 12.707,926 5.289,927 0.026,929 7.449,931 25.55,933 21.536,936 1.949,937 66.25,941 506.157,942 111.984,943 27.384,945 47.145,948 111.984,949 553.302,950 27.384,951 25.618,952 58,953 28.429,954 36.145,955 31.559,956 18.534,957 494.386,959 506.157,960 139.368,961 47.145,964 435.531,965 106.771,966 11,968 73.074,969 66.294,972 506.157,973 74.528,974 111.984,977 506.157,978 57.938,979 63.42,980 18.011,981 47.145,982 506.157,983 74.528,984 111.984,986 0.573,987 0.332,988 0.183,989 0.095,990 23,991 10,992 0.148,993 12,994 2,995 1.222,996 4.771,997 292.803,998 0.222,999 18,1000 168.974,1005 25.746,1006 12.07,1007 6.276,1009 74.528,1010 6.082,1015 3.172,1017 18.011,1018 692.67,1019 41,1024 12.31,1028 -0.348,1031 77.061,1032 88.925,1034 0.222,1035 0.462,1036 0.694,1037 0.808,1038 0.854,1039 0.877,1040 5.014,1041 1.65,1042 6.023,1043 4.381,1044 4.635,1045 4.852,1046 2.654,1047 6.899,1048 4.538,1049 6.153,1050 1.493,1051 7.621,1052 3.808,1053 4.29,1054 4.62,1055 1.961,1056 8.207,1057 4.165,1058 7.447,1059 1.441,1060 9.352,1061 3.362,1062 6.297,1063 6.805,1064 3.576,1065 11.389,1066 6.127,1067 8.785,1068 1.148,1069 11.174,1070 3.06,1071 6.889,1072 7.465,1073 3.621,1074 13.68,1075 6.715,1076 10.174,1077 1.131,1078 13.062,1079 3.024,1080 8.386,1081 9.177,1082 4.921,1083 16.509,1084 8.18,1085 11.599,1086 1,1087 14.999,1088 2.378,1089 9.412,1090 10.243,1091 5.294,1092 19.114,1093 9.209,1094 13.055,1095 0.743,1096 16.971,1097 2.136,1098 10.758,1099 11.79,1100 6.39,1101 21.866,1102 10.534,1103 3.737,1104 0.686,1105 18.971,1106 1.827,1107 11.965,1108 13.044,1109 6.931,1110 24.56,1111 11.736,1112 2.69,1113 15.306,1114 20.99,1115 1.457,1116 13.276,1117 14.527,1118 7.902,1119 27.295,1120 13.03,1121 2.522,1122 8.828,1123 23.024,1124 4.206,1125 14.552,1126 15.872,1127 8.539,1128 30.013,1129 14.294,1130 2.461,1131 8.458,1132 25.07,1133 3.318,1134 15.861,1135 17.329,1136 9.436,1137 32.743,1138 15.585,1139 2.373,1140 7.187,1141 27.124,1142 2.886,1143 17.163,1144 18.717,1145 10.13,1146 35.468,1147 16.87,1148 2.042,1149 6.965,1150 29.184,1151 2.604,1152 18.475,1153 20.163,1154 10.981,1155 38.197,1156 18.163,1157 1.885,1158 5.477,1159 31.25,1160 2.522,1161 19.786,1162 21.574,1163 11.71,1164 40.924,1165 19.455,1166 20828,1167 28679,1168 24.731,1169 47.614,1170 54.617,1171 55.734,1172 56.633,1173 54.505,1174 54.453,1175 60.026,1176 11.742,1177 156.3,1178 51.79,1179 5.832,1180 5.973,1181 7.931,1182 5.817,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 15.932,1189 1.476,1190 1.506,1191 1.531,1192 1.473,1193 1.472,1194 1.622,1195 0.317,1196 4.224,1197 1.4,1198 4.093,1199 4.132,1200 4.039,1201 3.996,1202 7.435,1203 4.002,1204 3.856,1205 3.921,1206 3.72,1207 3.701,1208 4.835,1209 3.69,1210 3.761,1211 3.823,1212 3.648,1213 3.578,1214 4.628,1215 3.583,1216 3.703,1217 3.748,1218 3.586,1219 3.559,1220 4.451,1221 3.561,1222 3.604,1223 3.672,1224 3.461,1225 3.432,1226 4.252,1227 3.425,1228 3.434,1229 3.494,1230 3.301,1231 3.205,1232 4.158,1233 3.216,1234 3.302,1235 3.392,1236 3.129,1237 3.079,1238 4.072,1239 3.083,1240 3.253,1241 3.345,1242 3.058,1243 3.043,1244 3.942,1245 3.032,1246 0.131,1247 0.107,1248 0.216,1249 0.127,1250 0.101,1251 4.832,1252 0.114,1253 3.973,1254 0.059,1255 8.006,1256 0.414,1257 4.714,1258 0.099,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.903,1265 1.884,1266 2.062,1267 2.011,1268 1.423,1269 2.025,1270 1.821,1271 1.759,1272 2.004,1273 1.996,1274 1.31,1275 1.996,1276 1.733,1277 1.669,1278 1.967,1279 1.938,1280 1.294,1281 1.957,1282 1.633,1283 1.578,1284 1.861,1285 1.836,1286 1.17,1287 1.837,1288 1.597,1289 1.531,1290 1.832,1291 1.814,1292 1.058,1293 1.832,1294 1.533,1295 1.453,1296 1.787,1297 1.751,1298 1.013,1299 1.773,1300 1.385,1301 1.316,1302 1.675,1303 1.639,1304 0.969,1305 1.647,1306 1.235,1307 1.158,1308 1.579,1309 1.503,1310 0.825,1311 1.53,1312 4.317,1314 5.631,1315 3.045,1316 7.141,1317 5.638,1318 8.759,1319 7.921,1320 10.45,1322 6.683,1328 16.669,1329 2.923,1330 11.02,1332 0.372,1333 7.287,1334 0.081,1340 43.766,1341 108.91,1342 226.265,1343 340.413,1344 396.023,1345 418.487,1346 429.997,1347 63.78,1348 7.949,1349 57.28,1350 57.28,1351 22,1352 12.913,1353 3,1354 2.322,1355 57.922,1356 211,1357 216,1358 0.127,1359 267.646,1360 475.13,1361 644.817,1362 39621,1364 23.968,1365 0.705,1366 0.632,1367 23.968,1368 21.482,1369 16.487,1370 0.446,1371 0.36,1372 13.125,1373 15.774,1374 12.756,1375 10.587,1376 16.487,1377 13.323,1378 14.607,1379 0.286,1380 0.207,1381 14.607,1382 10.557,1383 12.134,1384 0.178,1385 0.118,1386 12.134,1387 8.036,1388 10.384,1389 0.113,1390 0.067,1391 10.384,1392 6.121,1393 7.939,1394 0.072,1395 0.037,1396 7.939,1397 4.11,1398 0.216,1399 103.664,1400 0.201,1401 33.073,1402 0.31,1403 176,1404 426.475,1405 193.986,1406 399.728,1407 548.45,1408 378,1409 207,1410 400.278,1411 225.575,1412 402.913,1413 595.49,1414 377,1415 7.222}
{0 CHEMBL64465,1 1.217,2 8.609,3 5.415,4 29.322,5 96.885,6 6.721,7 0.654,8 3.882,9 4.009,10 3.385,11 3.518,12 4.845,13 3.458,14 4.432,15 4.614,16 3.73,17 3.929,18 5.318,19 3.84,20 4.707,21 4.933,22 3.802,23 4.059,24 5.543,25 3.941,26 4.737,27 4.99,28 3.696,29 3.992,30 5.543,31 3.859,32 4.666,33 4.915,34 3.61,35 3.962,36 5.444,37 3.827,38 4.648,39 4.888,40 3.57,41 3.987,42 5.396,43 3.831,44 4.668,45 4.922,46 3.512,47 3.969,48 5.415,49 3.798,50 4.626,51 4.899,52 3.281,53 3.844,54 5.353,55 3.639,56 0.049,57 0.609,58 10.022,59 4.344,60 7.231,61 6.113,62 0.095,63 1.039,64 18.048,65 7.572,66 12.862,67 10.778,68 0.143,69 1.352,70 24.452,71 9.779,72 20.294,73 14.109,74 0.216,75 1.408,76 25.807,77 9.528,78 24.497,79 13.938,80 0.188,81 1.302,82 23.95,83 8.897,84 20.336,85 12.984,86 0.123,87 1.225,88 23.044,89 9.845,90 16.486,91 14.045,92 0.117,93 1.231,94 23.629,95 10.249,96 18.483,97 14.615,98 0.112,99 1.162,100 22.854,101 9.889,102 20.115,103 14.144,104 2,105 36,106 0.209,107 0.543,108 0.721,109 0.82,110 0.857,111 0.857,112 3.19,113 0.982,114 -5.13,115 -5.03,116 -4.71,121 46.7,122 1,123 4,127 1,144 8,145 4,146 1,148 2,176 15,180 4,185 3,187 17,192 4,197 4,200 10,206 3,209 1,211 6,214 9,224 3,227 14,232 1,237 1,239 20,244 2,251 20,256 2,264 16,269 1,277 10,281 756,282 15.999,283 15.999,284 15.999,285 15.999,286 15.999,287 13.936,288 16.014,289 9.626,290 16.102,291 12.886,292 12.886,293 12.886,294 12.886,295 12.886,296 9.748,297 17.227,298 4.621,299 13.066,300 4.274,301 2.33,302 1.295,303 0.717,304 0.506,305 0.506,306 3.895,311 1,312 1,313 439,314 2.345,318 192.11,322 148.295,325 1.138,326 9.048,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 47,338 198,339 4.652,340 3.37,341 6.833,342 4.216,343 3.236,344 4.582,345 0.657,346 11.365,347 3.172,348 3.992,349 2.765,350 6.004,351 3.605,352 2.611,353 3.537,355 8.477,356 2.594,357 3.895,358 2.754,359 5.448,360 3.514,361 2.522,362 3.442,364 7.078,365 2.504,366 3.576,367 2.414,368 5.315,369 3.203,370 2.224,371 2.958,373 6.759,374 2.18,375 3.362,376 2.147,377 4.898,378 2.942,379 1.971,380 2.698,382 5.569,383 1.908,384 2.929,385 1.674,386 4.12,387 2.514,388 1.525,389 2.099,391 3.415,392 1.508,393 2.656,394 1.478,395 3.905,396 2.429,397 1.433,398 1.708,400 3.277,401 1.426,402 2.5,403 1.432,404 3.632,405 2.25,406 1.257,407 1.5,409 3.063,410 1.247,411 2.49,412 1.21,413 3.549,414 2.01,415 1.042,416 1.489,418 2.549,419 1.007,420 2.163,421 1,422 3.247,423 2,424 1,425 1.139,427 2.136,428 1,429 1.73,430 0.639,431 3.068,432 1.446,433 0.48,434 0.581,436 1.14,437 0.463,438 1.237,439 0.067,440 2.838,441 0.871,442 -0.091,443 -0.114,445 -0.248,446 -0.088,447 1.111,448 0.008,449 2.543,450 0.782,451 -0.209,452 -0.263,454 -0.51,455 -0.206,456 0.75,457 -0.411,458 2.345,459 0.399,460 -0.584,461 -0.71,463 -1.43,464 -0.574,465 0.581,466 -0.551,467 2.148,468 0.237,469 -0.749,470 -0.903,472 -1.821,473 -0.736,474 11.3,475 0.491,476 0.448,477 0.019,478 30.5,479 1.326,480 16.5,481 0.717,482 14,483 0.609,484 18.553,485 0.807,486 23.5,487 0.522,488 18.832,489 0.819,490 5.668,491 0.246,492 5.641,493 0.245,494 0.044,496 0.31,501 0.963,502 1.085,503 0.885,504 0.964,505 0.91,506 0.928,507 1,508 1.12,509 0.933,510 1.007,511 0.827,512 0.974,513 1.124,514 1.208,515 0.977,516 1.058,517 1.06,518 1.018,519 1.585,520 1.087,521 1.061,522 0.984,523 1.229,524 0.991,525 1.869,526 0.902,527 1.137,528 0.905,529 1.432,530 0.965,531 0.914,532 0.976,533 1.066,534 1.051,535 0.91,536 1.064,537 0.723,538 0.977,539 1.024,540 1.054,541 0.808,542 1.056,543 0.67,544 1.044,545 1.073,546 1.128,547 0.989,548 1.125,549 3.5,550 0.025,551 2.222,552 1.313,553 1.302,554 0.611,555 0.527,556 0.172,557 0.143,558 0.085,559 5592,560 10620,561 2.196,562 48.9,563 9,564 10,567 1,568 2,572 1.663,573 2.123,574 3.082,575 -0.455,582 54.787,583 1.217,584 3.162,585 4.197,586 4.775,587 4.986,588 4.986,589 2.436,590 4.056,591 4.494,592 3.2,593 809.656,594 7.768,595 9011.35,600 247.133,601 1.121,602 4.483,603 0.135,604 0.006,605 0.062,606 0.035,607 0.041,608 0.02,609 0.018,610 0.006,611 0.007,612 0.008,613 0.338,614 0.67,615 1,616 0.393,617 105.648,618 0.02,620 0.062,621 0.041,622 0.029,623 0.051,624 0.036,625 -0.075,626 0.03,627 -0.019,628 0.104,629 0.001,630 0.067,631 -0.183,632 0.004,633 -0.092,634 0.015,635 -0.056,636 0.007,637 -0.031,638 -0.053,639 -0.053,640 -0.04,641 -0.056,642 -0.324,643 0.159,644 -0.134,645 0.033,646 -0.285,647 -0.026,648 -0.114,649 -0.005,650 -0.105,651 -0.058,652 -0.072,653 -0.076,654 -0.042,655 -0.034,656 -0.065,657 -0.054,658 0.03,659 -0.059,660 -0.025,661 -0.124,662 -0.111,663 -0.132,664 -0.048,665 -0.128,666 0.639,667 1.952,668 0.87,669 17.255,670 0.979,671 1.114,672 3.901,673 15.221,674 0.681,675 3.296,676 3.611,677 3.912,678 4.22,679 4.522,680 4.605,681 4.762,682 4.905,683 5.004,684 4.92,685 5.193,686 0.629,687 302.45,688 3.296,689 4.828,690 5.687,691 6.569,692 7.449,693 8.343,694 9.233,695 10.133,696 11.029,697 11.933,698 4.4,703 1,708 1,714 2,715 8,716 1,720 5,722 17,734 1,741 45,743 17,744 2,745 26,747 48,748 21,749 15,750 4,751 8,756 4,757 7,763 1,767 4,770 4,772 15,773 6,793 22,794 2,795 1,796 2,802 2,808 0.5,822 1,829 4,833 2,859 2,864 1,868 23,876 5,877 1,901 10.833,902 8.367,903 5.028,904 2.968,907 3.339,908 1.451,909 1.037,910 3.845,911 10.749,912 3.57,913 4.205,914 4.834,915 5.463,916 6.088,917 6.395,918 6.794,919 7.202,920 7.563,921 7.617,922 0.833,923 37,924 8.522,926 3.606,927 0.026,929 7.355,931 17.078,933 14.532,936 1.855,937 42.667,938 0.001,941 247.193,942 116.666,943 34.796,948 116.666,949 247.193,950 34.796,951 8.825,952 12.244,953 75.81,954 34.796,955 19.787,957 247.193,959 247.193,960 151.463,964 247.193,968 25.97,969 90.696,970 34.796,972 247.193,973 34.796,974 116.666,977 247.193,978 32.031,979 84.635,980 18.011,981 16.786,982 247.193,983 34.796,984 116.666,986 0.575,987 0.336,988 0.192,989 0.113,990 19,991 7,992 0.063,993 3,994 2,995 1.2,996 3.567,997 192.903,998 0.2,999 20,1000 100.042,1005 14.413,1006 6.136,1007 2.871,1008 2.383,1009 34.796,1010 17.224,1011 4.952,1015 6.617,1017 18.011,1018 398.656,1019 34.5,1031 44.04,1032 50.149,1034 0.222,1035 0.576,1036 0.764,1037 0.869,1038 0.908,1039 0.908,1040 4.79,1041 1.257,1042 5.652,1043 3.277,1044 4.29,1045 4.89,1046 0.623,1047 6.463,1048 4.26,1049 5.992,1050 1.042,1051 7.2,1052 3.063,1053 3.761,1054 4.691,1056 7.357,1057 3.718,1058 7.301,1059 1,1060 8.852,1061 2.549,1062 5.866,1063 7.153,1064 0.317,1065 10.507,1066 5.805,1067 8.65,1068 0.48,1069 10.57,1070 2.136,1071 6.196,1072 7.819,1074 12.29,1075 6.117,1076 10.035,1077 -0.091,1078 12.333,1079 1.14,1080 7.74,1081 9.735,1082 0.149,1083 14.957,1084 7.645,1085 11.445,1086 -0.209,1087 14.127,1088 -0.248,1089 8.497,1090 10.825,1092 17.112,1093 8.38,1094 12.877,1095 -0.584,1096 15.944,1097 -0.51,1098 9.804,1099 12.509,1100 0.067,1101 19.622,1102 9.67,1103 3.236,1104 -0.749,1105 17.78,1106 -1.43,1107 10.775,1108 13.818,1110 21.935,1111 10.617,1112 2.611,1113 11.365,1114 19.63,1115 -1.821,1116 11.985,1117 15.403,1118 0.03,1119 24.391,1120 11.809,1121 2.522,1122 8.477,1123 21.491,1124 4.582,1125 13.06,1126 16.821,1128 26.771,1129 12.86,1130 2.224,1131 7.078,1132 23.361,1133 3.537,1134 14.237,1135 18.365,1136 0.013,1137 29.209,1138 14.017,1139 1.971,1140 6.759,1141 25.24,1142 3.442,1143 15.362,1144 19.837,1146 31.617,1147 15.118,1148 1.525,1149 5.569,1150 27.125,1151 2.958,1152 16.529,1153 21.365,1154 0.006,1155 34.049,1156 16.265,1157 1.433,1158 3.415,1159 29.016,1160 2.698,1161 17.677,1162 22.862,1164 36.469,1165 17.391,1166 5247,1167 7321,1168 18.087,1169 30.625,1170 38.695,1171 38.788,1172 39.256,1173 38.6,1174 38.6,1175 51.462,1176 1.315,1177 109.657,1178 38.019,1179 5.598,1180 5.37,1181 6.635,1182 5.257,1183 5.236,1184 7.582,1185 1.315,1186 18.903,1187 5.172,1188 6.029,1189 1.488,1190 1.492,1191 1.51,1192 1.485,1193 1.485,1194 1.979,1195 0.051,1196 4.218,1197 1.462,1198 4.122,1199 4.152,1200 4.083,1201 4.053,1202 4.968,1203 4.057,1204 3.899,1205 3.932,1206 3.824,1207 3.841,1208 4.751,1209 3.833,1210 3.752,1211 3.8,1212 3.642,1213 3.672,1214 4.416,1215 3.659,1216 3.418,1217 3.489,1218 3.288,1219 3.277,1220 4.171,1221 3.271,1222 3.222,1223 3.301,1224 3.086,1225 3.051,1226 3.992,1227 3.047,1228 3.095,1229 3.175,1230 2.932,1231 2.946,1232 3.809,1233 2.934,1234 2.984,1235 3.068,1236 2.777,1237 2.835,1238 3.674,1239 2.811,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.569,1245 2.715,1246 0.179,1247 0.13,1248 0.263,1249 0.162,1250 0.124,1251 4.652,1252 0.176,1253 3.37,1254 0.025,1255 6.833,1256 0.437,1257 4.216,1258 0.122,1259 3.236,1260 4.582,1261 0.657,1262 11.365,1263 3.172,1264 2.08,1265 2.055,1266 2.164,1267 2.168,1268 1.437,1269 2.168,1270 1.904,1271 1.874,1272 2.034,1273 1.988,1274 1.195,1275 2.006,1276 1.773,1277 1.729,1278 1.968,1279 1.89,1280 1.139,1281 1.92,1282 1.409,1283 1.348,1284 1.641,1285 1.601,1286 0.806,1287 1.619,1288 1.21,1289 1.136,1290 1.494,1291 1.43,1292 0.73,1293 1.456,1294 1.116,1295 1.04,1296 1.445,1297 1.325,1298 0.637,1299 1.37,1300 1.013,1301 0.937,1302 1.298,1303 1.212,1304 0.462,1305 1.248,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 3.97,1314 5.283,1316 6.815,1318 8.45,1320 10.143,1322 2.137,1328 5.643,1329 3.712,1340 28.311,1341 54.787,1342 142.273,1343 188.869,1344 214.869,1345 224.379,1346 224.379,1347 25.338,1348 7.41,1349 24.92,1350 24.92,1351 24,1352 12.454,1353 4.17,1354 3.248,1355 31.638,1356 68,1357 78,1358 0.221,1359 172.805,1360 290.6,1361 413.405,1362 16387,1364 15.648,1365 0.68,1366 0.591,1367 15.648,1368 13.602,1369 11.31,1370 0.435,1371 0.327,1372 8.475,1373 11.184,1374 8.222,1375 6.843,1376 11.31,1377 8.51,1378 10.031,1379 0.279,1380 0.18,1381 10.031,1382 6.479,1383 8.61,1384 0.176,1385 0.097,1386 8.61,1387 4.731,1388 7.488,1389 0.112,1390 0.053,1391 7.488,1392 3.524,1393 6.493,1394 0.071,1395 0.029,1396 6.493,1397 2.677,1398 0.335,1399 68.72,1400 0.235,1401 22.19,1402 0.644,1403 124,1404 251.978,1405 127.775,1406 258.622,1407 373.95,1408 246,1409 147,1410 289.507,1411 151.496,1412 300.301,1413 441.25,1414 285,1415 6.125}
{0 CHEMBL64529,1 1.354,2 12.333,3 4.764,4 22.7,5 97.38,6 6.121,7 0.231,8 4.046,9 4.185,10 3.446,11 3.549,12 4.935,13 3.49,14 4.667,15 4.879,16 3.787,17 3.98,18 5.535,19 3.878,20 4.969,21 5.229,22 3.809,23 4.146,24 5.695,25 4,26 4.993,27 5.268,28 3.684,29 4.079,30 5.763,31 3.909,32 4.897,33 5.186,34 3.526,35 3.886,36 5.701,37 3.721,38 4.658,39 4.927,40 3.355,41 3.651,42 5.508,43 3.51,44 4.488,45 4.749,46 3.322,47 3.511,48 5.389,49 3.402,50 4.414,51 4.648,52 3.239,53 3.457,54 5.424,55 3.359,56 0.057,57 0.756,58 13.48,59 5.415,60 7.121,61 7.779,62 0.381,63 1.247,64 25.073,65 9.134,66 31.474,67 13.514,68 0.263,69 1.529,70 32.924,71 12.076,72 25.037,73 17.837,74 0.28,75 1.478,76 33.565,77 11.982,78 34.82,79 17.77,80 0.322,81 1.261,82 30.699,83 10.036,84 37.78,85 15.076,86 0.355,87 0.977,88 24.621,89 7.775,90 31.674,91 11.486,92 0.243,93 0.853,94 20.841,95 6.354,96 25.325,97 9.556,98 0.396,99 0.8,100 19.968,101 5.641,102 36.336,103 8.376,104 19,105 35,106 0.229,107 0.487,108 0.722,109 0.858,110 0.888,111 0.888,112 3.227,113 1.094,114 -4.4,115 -4.33,116 -4.09,121 37,122 1,123 7,124 1,126 1,127 2,129 1,144 3,145 2,146 1,161 1,176 12,179 1,180 5,183 2,185 1,187 14,192 5,197 1,200 10,206 8,211 3,214 5,219 6,224 3,227 2,231 1,232 4,237 3,239 2,244 4,249 3,251 4,255 1,256 2,259 1,264 6,269 2,277 8,281 880,282 16.422,283 16.422,284 16.422,285 16.422,286 16.422,287 15.592,288 21.224,289 10.109,290 16.705,291 12.841,292 12.841,293 12.841,294 12.841,295 12.841,296 11.46,297 28.266,298 4.84,299 13.273,300 4.401,301 2.877,302 1.487,303 0.686,304 0.509,305 0.509,306 3.912,311 1,312 1,313 636,314 3.742,317 47.237,318 120.694,319 71.089,321 87.443,323 111.295,325 2,326 16.715,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 51,338 296,339 4.49,340 3.67,341 6.857,342 4.258,343 3.274,344 4.038,345 2.186,346 11.437,347 3.226,348 3.863,349 3.541,350 5.895,351 3.543,352 2.612,353 3.137,354 0.916,355 8.082,356 2.421,357 3.532,358 2.791,359 5.451,360 3.293,361 2.346,362 2.684,363 0.366,364 7.188,365 2.213,366 3.317,367 2.515,368 5.177,369 3.098,370 2.111,371 2.43,372 0.172,373 6.061,374 2.076,375 3.134,376 2.184,377 4.788,378 2.892,379 1.921,380 2.246,382 5.337,383 1.862,384 2.843,385 1.9,386 4.226,387 2.797,388 1.804,389 1.842,391 3.634,392 1.781,393 2.469,394 1.574,395 3.826,396 2.382,397 1.392,398 1.46,400 3.503,401 1.375,402 2.43,403 1.354,404 3.781,405 2.183,406 1.203,407 1.421,409 2.747,410 1.176,411 2.248,412 1.125,413 3.394,414 2.072,415 1.08,416 1.231,418 2.65,419 1.07,420 1.844,421 1.033,422 3.015,423 1.777,424 0.798,425 0.818,427 1.452,428 0.777,429 1.422,430 0.752,431 2.88,432 1.241,433 0.275,434 0.298,436 0.638,437 0.264,438 1.169,439 0.421,440 2.566,441 1.093,442 0.119,443 0.123,445 0.216,446 0.116,447 1.053,448 0.287,449 2.449,450 0.752,451 -0.209,452 -0.241,454 -0.503,455 -0.198,456 0.597,457 -0.22,458 2.237,459 0.405,460 -0.597,461 -0.633,463 -1.08,464 -0.591,465 0.551,466 -0.473,467 2,468 0.214,469 -0.77,470 -0.836,472 -2.036,473 -0.751,474 11.467,475 0.478,476 0.486,477 0.02,478 23,479 0.958,480 8,481 0.333,482 15,483 0.625,484 24.611,485 1.025,486 28.133,487 0.521,488 14.299,489 0.596,490 3.763,491 0.157,492 7.923,493 0.33,494 0.116,496 0.297,501 0.791,502 1.472,503 0.986,504 1.297,505 0.583,506 1.179,507 0.643,508 1.101,509 1.004,510 1.078,511 0.386,512 1.071,513 0.89,514 1.052,515 0.967,516 1.034,517 0.656,518 1.01,519 0.954,520 1.099,521 0.991,522 1.086,523 0.896,524 1.05,525 1.287,526 0.966,527 0.963,528 0.945,529 1.347,530 0.922,531 1.702,532 0.946,533 1.063,534 0.928,535 1.652,536 0.933,537 1.741,538 1.057,539 0.997,540 0.943,541 1.975,542 0.897,543 2.475,544 0.806,545 1.353,546 0.833,547 3.082,548 0.952,549 4,550 0.077,551 2.222,552 1.667,553 1.054,554 0.438,555 0.4,556 0.25,557 0.201,558 0.095,559 7011,560 12319,561 2.064,562 55.6,563 12,564 11,567 1,569 6,572 1.661,573 1.946,574 3.537,575 -0.383,582 73.119,583 1.354,584 2.878,585 4.267,586 5.069,587 5.245,588 5.245,589 3.094,590 4.418,591 4.546,592 3.715,593 1025.23,594 7.81,595 12621.8,597 1,600 310.764,601 1.347,602 4.522,603 0.154,604 0.006,605 0.063,606 0.048,607 0.036,608 0.018,609 0.02,610 0.013,611 0.011,612 0.006,613 0.375,614 0.33,615 1,616 2.285,617 117.053,618 0.013,619 -0.145,620 0.063,621 -0.053,622 0.012,623 0.001,624 0.284,625 0.08,626 0.023,627 0.012,628 0.244,629 -0.006,630 -0.029,631 -0.016,632 0.014,633 -0.004,634 0.013,635 0.009,636 -0.016,637 -0.12,638 -0.016,639 -0.091,640 0.023,641 -0.058,642 -0.049,643 -0.038,644 0.037,645 -0.014,646 -0.043,647 0.018,648 -0.058,649 -0.017,650 -0.014,651 0.003,652 -0.135,653 -0.003,654 -0.089,655 -0.095,656 0.065,657 -0.008,658 -0.114,659 0.038,660 -0.229,661 0.217,662 -0.206,663 0.074,664 -0.314,665 -0.048,666 1.997,667 4.94,668 0.5,669 25.083,670 0.986,671 1.134,672 3.173,673 10.065,674 0.622,675 3.296,676 3.584,677 3.85,678 4.143,679 4.394,680 4.522,681 4.635,682 4.718,683 4.71,684 4.745,685 6.953,686 0.571,687 330.52,688 3.296,689 4.812,690 5.652,691 6.526,692 7.399,693 8.292,694 9.183,695 10.087,696 10.991,697 11.902,698 3.7,701 1,705 1,715 3,720 3,722 6,737 1,741 54,743 7,744 1,745 26,747 56,748 20,749 6,750 3,751 3,756 3,757 6,763 1,767 3,768 1,770 8,772 7,773 13,774 1,777 1,782 1,786 1,793 30,794 4,795 1,796 4,802 2,808 0.333,809 2,828 1,829 2,830 1,832 1,834 1,855 1,859 1,864 2,868 24,876 9,877 1,878 1,880 2,881 1,893 3.7,896 1,898 1,901 12.333,902 9.95,903 5.444,904 3.853,907 1.284,908 1.179,909 0.941,910 6.043,911 8.468,912 3.434,913 3.882,914 4.334,915 4.855,916 5.343,917 5.593,918 5.917,919 6.168,920 6.183,921 6.289,922 1,923 35,924 8.963,926 3.727,927 0.026,929 7.493,931 17.966,933 15.148,936 1.993,937 47.833,938 0.001,939 1,940 1,941 341.362,942 85.981,943 21.135,945 36.145,948 85.981,949 377.507,950 21.135,951 17.222,952 39.964,953 28.429,954 25.145,955 25.739,956 6.763,957 341.362,959 341.362,960 107.116,961 36.145,964 270.735,965 106.771,968 51.913,969 55.202,972 341.362,973 57.28,974 85.981,977 341.362,978 40.33,979 48.775,980 18.011,981 36.145,982 341.362,983 57.28,984 85.981,986 0.563,987 0.319,988 0.173,989 0.096,990 16,991 7,992 0.143,993 8,994 3,995 1.417,996 3.759,997 184.238,998 0.5,999 11,1000 110.039,1005 17.597,1006 8.241,1007 4.259,1009 57.28,1010 6.17,1015 3.477,1017 18.011,1018 484.622,1019 30,1024 11.94,1028 -0.33,1031 53.229,1032 61.228,1034 0.235,1035 0.5,1036 0.742,1037 0.881,1038 0.911,1039 0.911,1040 4.677,1041 1.203,1042 5.617,1043 3.503,1044 4.263,1045 4.564,1046 2.401,1047 6.418,1048 4.2,1049 5.809,1050 1.08,1051 7.162,1052 2.747,1053 3.761,1054 4.27,1055 1.847,1056 7.31,1057 3.657,1058 7.08,1059 0.798,1060 8.814,1061 2.65,1062 5.826,1063 6.543,1064 3.519,1065 10.463,1066 5.703,1067 8.387,1068 0.275,1069 10.533,1070 1.452,1071 6.196,1072 7.11,1073 3.603,1074 12.263,1075 6.046,1076 9.734,1077 0.119,1078 12.296,1079 0.638,1080 7.71,1081 8.89,1082 4.91,1083 14.934,1084 7.546,1085 11.11,1086 -0.209,1087 14.092,1088 0.216,1089 8.514,1090 9.864,1091 5.291,1092 17.117,1093 8.339,1094 12.509,1095 -0.597,1096 15.912,1097 -0.503,1098 9.808,1099 11.446,1100 6.388,1101 19.629,1102 9.621,1103 3.274,1104 -0.77,1105 17.752,1106 -1.08,1107 10.822,1108 12.621,1109 6.93,1110 21.967,1111 10.63,1112 2.612,1113 11.437,1114 19.606,1115 -2.036,1116 12.035,1117 14.112,1118 7.902,1119 24.426,1120 11.834,1121 2.346,1122 8.082,1123 21.473,1124 4.038,1125 13.143,1126 15.39,1127 8.539,1128 26.825,1129 12.937,1130 2.111,1131 7.188,1132 23.35,1133 3.137,1134 14.33,1135 16.836,1136 9.436,1137 29.268,1138 14.115,1139 1.921,1140 6.061,1141 25.235,1142 2.684,1143 15.479,1144 18.168,1145 10.13,1146 31.689,1147 15.257,1148 1.804,1149 5.337,1150 27.127,1151 2.43,1152 16.66,1153 19.59,1154 10.981,1155 34.128,1156 16.428,1157 1.392,1158 3.634,1159 29.024,1160 2.246,1161 17.828,1162 20.951,1163 11.71,1164 36.558,1165 17.587,1166 6905,1167 9318,1168 17.394,1169 33.58,1170 37.832,1171 38.817,1172 39.354,1173 37.907,1174 37.87,1175 43.456,1176 7.283,1177 105.891,1178 36.712,1179 5.49,1180 5.67,1181 6.821,1182 5.338,1183 5.274,1184 7.038,1185 3.889,1186 18.689,1187 5.226,1188 11.172,1189 1.455,1190 1.493,1191 1.514,1192 1.458,1193 1.457,1194 1.671,1195 0.28,1196 4.073,1197 1.412,1198 4.08,1199 4.113,1200 4.017,1201 4.007,1202 7.435,1203 4.005,1204 3.783,1205 3.85,1206 3.639,1207 3.648,1208 4.816,1209 3.63,1210 3.662,1211 3.707,1212 3.556,1213 3.503,1214 4.393,1215 3.508,1216 3.555,1217 3.63,1218 3.408,1219 3.381,1220 4.245,1221 3.37,1222 3.342,1223 3.401,1224 3.194,1225 3.09,1226 4.121,1227 3.113,1228 3.231,1229 3.323,1230 3.048,1231 3.031,1232 3.986,1233 3.023,1234 3.127,1235 3.204,1236 2.937,1237 2.973,1238 3.817,1239 2.953,1240 3.023,1241 3.093,1242 2.805,1243 2.785,1244 3.732,1245 2.788,1246 0.173,1247 0.141,1248 0.264,1249 0.164,1250 0.126,1251 4.49,1252 0.155,1253 3.67,1254 0.084,1255 6.857,1256 0.44,1257 4.258,1258 0.124,1259 3.274,1260 4.038,1261 2.186,1262 11.437,1263 3.226,1264 1.893,1265 1.876,1266 2.039,1267 1.983,1268 1.386,1269 1.991,1270 1.787,1271 1.727,1272 2.002,1273 1.967,1274 1.379,1275 1.981,1276 1.782,1277 1.718,1278 1.971,1279 1.943,1280 1.183,1281 1.967,1282 1.563,1283 1.49,1284 1.851,1285 1.785,1286 1.121,1287 1.807,1288 1.285,1289 1.23,1290 1.583,1291 1.566,1292 0.795,1293 1.566,1294 1.227,1295 1.135,1296 1.572,1297 1.475,1298 0.778,1299 1.514,1300 1.15,1301 1.076,1302 1.466,1303 1.357,1304 0.678,1305 1.395,1306 0.991,1307 0.928,1308 1.291,1309 1.284,1310 0.435,1311 1.298,1312 3.97,1314 5.263,1315 2.398,1316 6.753,1317 4.949,1318 8.349,1319 7.222,1320 10.008,1322 4.409,1328 10.213,1329 2.86,1330 5.479,1332 1.177,1333 2.439,1340 30.848,1341 73.119,1342 155.391,1343 230.441,1344 273.744,1345 283.254,1346 283.254,1347 39.554,1348 7.184,1349 41.57,1350 41.57,1351 17,1352 12.419,1353 3,1354 2.322,1355 39.775,1356 98,1357 126,1358 0.196,1359 190.309,1360 335.6,1361 456.113,1362 12353,1364 16.941,1365 0.706,1366 0.626,1367 16.941,1368 15.014,1369 11.686,1370 0.449,1371 0.365,1372 9.389,1373 11.317,1374 9.139,1375 7.641,1376 11.686,1377 9.485,1378 10.118,1379 0.289,1380 0.207,1381 10.118,1382 7.239,1383 8.304,1384 0.181,1385 0.119,1386 8.304,1387 5.487,1388 6.944,1389 0.112,1390 0.066,1391 6.944,1392 4.065,1393 5.713,1394 0.071,1395 0.037,1396 5.713,1397 2.99,1398 0.318,1399 72.623,1400 0.24,1401 24.086,1402 0.508,1403 122,1404 289.449,1405 132.555,1406 276.355,1407 380.27,1408 260,1409 142,1410 281.712,1411 151.479,1412 283.395,1413 416.76,1414 267,1415 6.845}
{0 CHEMBL64633,1 1.337,2 12.16,3 4.863,4 23.651,5 102.002,6 6.045,7 0.222,8 4.096,9 4.235,10 3.482,11 3.598,12 4.981,13 3.535,14 4.719,15 4.933,16 3.857,17 4.038,18 5.579,19 3.939,20 5.032,21 5.283,22 3.925,23 4.244,24 5.768,25 4.109,26 5.12,27 5.387,28 3.834,29 4.244,30 5.881,31 4.072,32 5.089,33 5.384,34 3.702,35 4.088,36 5.864,37 3.915,38 4.858,39 5.128,40 3.497,41 3.86,42 5.689,43 3.703,44 4.661,45 4.929,46 3.43,47 3.685,48 5.552,49 3.552,50 4.577,51 4.831,52 3.31,53 3.554,54 5.596,55 3.443,56 0.062,57 0.794,58 14.302,59 5.762,60 7.871,61 8.284,62 0.387,63 1.319,64 26.477,65 9.702,66 33.192,67 14.363,68 0.285,69 1.671,70 35.243,71 12.946,72 26.251,73 19.144,74 0.289,75 1.721,76 38.02,77 14.04,78 37.163,79 20.697,80 0.363,81 1.543,82 36.846,83 12.288,84 42.821,85 18.522,86 0.416,87 1.197,88 29.874,89 9.732,90 39.216,91 14.288,92 0.251,93 1.016,94 24.459,95 7.844,96 29.584,97 11.751,98 0.445,99 0.899,100 23.271,101 6.563,102 49.375,103 9.771,104 28,105 38,106 0.224,107 0.474,108 0.7,109 0.869,110 0.881,111 0.881,112 3.267,113 1.101,114 -4.63,115 -4.55,116 -4.28,121 36.8,122 3,123 6,125 1,127 3,129 1,144 3,145 2,146 1,161 1,176 12,179 1,180 6,183 2,185 1,187 16,192 5,197 1,200 11,206 9,211 3,214 8,219 7,224 3,227 5,231 1,232 4,237 3,239 5,244 5,249 3,251 4,255 1,256 3,259 1,264 6,277 9,281 925,282 16.955,283 16.955,284 16.955,285 16.955,286 16.955,287 16.139,288 24.018,289 10.177,290 17.274,291 13.245,292 13.245,293 13.245,294 13.245,295 13.245,296 11.883,297 32.975,298 4.744,299 13.702,300 4.495,301 3.002,302 1.646,303 0.636,304 0.566,305 0.566,306 3.948,311 1,312 1,313 645,314 4.062,317 47.737,318 122.353,319 72.021,321 88.841,323 113.125,325 1.846,326 18.04,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 53,338 304,339 4.728,340 3.832,341 7.627,342 4.591,343 3.597,344 4.164,345 2.186,346 13.936,347 3.577,348 3.916,349 3.66,350 6.393,351 3.655,352 2.693,353 3.23,354 0.916,355 9.658,356 2.598,357 3.741,358 3.039,359 5.739,360 3.557,361 2.623,362 2.853,363 0.366,364 7.806,365 2.438,366 3.548,367 2.678,368 5.391,369 3.235,370 2.271,371 2.697,372 0.172,373 6.816,374 2.165,375 3.221,376 2.318,377 4.814,378 2.926,379 1.962,380 2.356,382 5.403,383 1.882,384 2.797,385 1.875,386 4.609,387 2.754,388 1.757,389 1.795,391 4.045,392 1.746,393 2.628,394 1.486,395 4.009,396 2.311,397 1.33,398 1.672,400 3.49,401 1.302,402 2.303,403 1.461,404 3.773,405 2.215,406 1.226,407 1.291,409 2.848,410 1.208,411 2.263,412 1.152,413 3.355,414 2.076,415 1.085,416 1.237,418 2.301,419 1.074,420 1.728,421 0.853,422 3.251,423 1.675,424 0.697,425 0.714,427 1.317,428 0.68,429 1.577,430 0.801,431 3.012,432 1.498,433 0.529,434 0.542,436 0.927,437 0.509,438 1.275,439 0.655,440 2.815,441 0.985,442 0.026,443 0.029,445 0.055,446 0.025,447 0.876,448 0.095,449 2.666,450 0.775,451 -0.192,452 -0.196,454 -0.358,455 -0.186,456 0.814,457 -0.052,458 2.376,459 0.673,460 -0.33,461 -0.361,463 -0.637,464 -0.327,465 0.602,466 -0.311,467 2.343,468 0.351,469 -0.639,470 -0.712,472 -1.832,473 -0.626,474 11.967,475 0.479,476 0.602,477 0.024,478 23.5,479 0.94,480 8,481 0.32,482 15.5,483 0.62,484 28.102,485 1.124,486 29.433,487 0.516,488 14.869,489 0.595,490 3.731,491 0.149,492 8.339,493 0.334,494 0.153,495 0.042,496 0.242,501 0.794,502 1.474,503 1.005,504 1.307,505 0.619,506 1.193,507 0.623,508 1.098,509 0.952,510 1.045,511 0.38,512 1.027,513 0.952,514 1.043,515 1.001,516 1.024,517 0.665,518 1.013,519 0.889,520 1.175,521 1.03,522 1.16,523 0.843,524 1.12,525 1.166,526 0.945,527 0.942,528 0.936,529 1.175,530 0.914,531 1.741,532 0.959,533 1.117,534 0.96,535 1.525,536 0.981,537 1.508,538 1.107,539 0.991,540 1.026,541 1.727,542 0.966,543 2.517,544 0.766,545 1.278,546 0.789,547 3.346,548 0.89,549 5.5,550 0.094,551 3.111,552 2.326,553 1.468,554 0.754,555 0.502,556 0.309,557 0.201,558 0.135,559 7188,560 12576,561 2.028,562 56.1,563 12,564 10,567 1,569 9,572 1.675,573 1.887,574 3.481,575 -0.396,582 76.236,583 1.337,584 2.831,585 4.187,586 5.197,587 5.267,588 5.267,589 3.049,590 4.454,591 4.602,592 3.661,593 1098.41,594 7.943,595 13502.4,597 1,600 332.475,601 1.571,602 4.56,603 0.204,604 0.006,605 0.082,606 0.058,607 0.043,608 0.026,609 0.022,610 0.014,611 0.011,612 0.008,613 0.474,614 0.33,615 1,616 2.201,617 122.128,618 0.017,619 -0.139,620 0.062,621 -0.05,622 -0.011,623 0.001,624 0.307,625 0.085,626 0.085,627 0.054,628 0.256,629 0.048,630 -0.056,631 0.035,632 -0.001,633 0.022,634 0.002,635 0.02,636 -0.013,637 -0.167,638 -0.053,639 -0.135,640 0.019,641 -0.104,642 -0.028,643 -0.005,644 0.049,645 -0.001,646 -0.019,647 0.031,648 -0.094,649 -0.026,650 -0.07,651 -0.016,652 -0.133,653 -0.041,654 -0.037,655 -0.144,656 0.047,657 -0.075,658 -0.064,659 -0.014,660 -0.206,661 0.203,662 -0.139,663 0.094,664 -0.272,665 -0.003,666 2.002,667 5.01,668 0.48,669 26.08,670 0.984,671 1.134,672 3.396,673 11.53,674 0.62,675 3.332,676 3.664,677 3.951,678 4.263,679 4.554,680 4.7,681 4.812,682 4.875,683 4.89,684 4.934,685 6.698,686 0.568,687 344.55,688 3.332,689 4.875,690 5.733,691 6.637,692 7.533,693 8.456,694 9.372,695 10.306,696 11.234,697 12.175,698 3.5,701 1,705 1,715 3,720 3,722 6,737 1,741 57,743 7,744 1,745 27,747 59,748 21,749 6,750 3,751 3,756 3,757 6,763 3,764 1,766 1,767 3,770 7,772 7,773 14,777 1,782 1,786 1,793 32,794 4,795 1,796 4,802 2,808 0.333,809 2,828 1,829 2,830 1,832 1,834 1,855 1,859 1,864 3,868 25,876 9,877 1,878 1,880 1,881 1,882 1,893 3.5,896 1,898 1,901 13.25,902 10.867,903 5.667,904 4.149,907 1.287,908 1.176,909 0.928,910 5.932,911 8.605,912 3.466,913 3.942,914 4.41,915 4.937,916 5.448,917 5.712,918 6.059,919 6.296,920 6.375,921 6.484,922 1,923 40,924 9.339,926 3.895,927 0.026,929 7.49,931 18.702,933 15.837,936 1.99,937 49.75,938 0.001,939 1,940 1,941 364.904,942 94.806,943 21.135,945 36.145,948 94.806,949 401.049,950 21.135,951 26.476,952 39.535,953 28.429,954 25.145,955 25.739,956 6.763,957 364.904,959 364.904,960 115.941,961 36.145,964 258.964,965 142.085,968 69.135,969 46.806,972 364.904,973 57.28,974 94.806,977 364.904,978 39.901,979 58.029,980 18.011,981 36.145,982 364.904,983 57.28,984 94.806,986 0.57,987 0.332,988 0.18,989 0.103,990 18,991 8,992 0.136,993 8,994 3,995 1.417,996 3.713,997 202.094,998 0.5,999 11,1000 116.096,1005 18.567,1006 7.988,1007 3.969,1009 57.28,1010 6.224,1015 3.47,1017 18.011,1018 516.99,1019 31,1024 12.01,1028 -0.335,1031 56.112,1032 64.643,1034 0.229,1035 0.485,1036 0.718,1037 0.891,1038 0.903,1039 0.903,1040 4.741,1041 1.226,1042 5.753,1043 3.49,1044 4.344,1045 4.625,1046 2.401,1047 6.65,1048 4.283,1049 5.914,1050 1.085,1051 7.367,1052 2.848,1053 4.111,1054 4.494,1055 1.847,1056 7.976,1057 4.039,1058 7.232,1059 0.697,1060 9.105,1061 2.301,1062 6.052,1063 6.665,1064 3.519,1065 11.084,1066 5.948,1067 8.589,1068 0.529,1069 10.922,1070 1.317,1071 6.686,1072 7.357,1073 3.603,1074 13.275,1075 6.592,1076 9.989,1077 0.026,1078 12.792,1079 0.927,1080 8.146,1081 9.074,1082 4.91,1083 16.016,1084 8.034,1085 11.417,1086 -0.192,1087 14.7,1088 0.055,1089 9.16,1090 10.137,1091 5.291,1092 18.504,1093 9.063,1094 12.868,1095 -0.33,1096 16.636,1097 -0.358,1098 10.471,1099 11.69,1100 6.388,1101 21.159,1102 10.368,1103 3.597,1104 -0.639,1105 18.592,1106 -0.637,1107 11.643,1108 12.932,1109 6.93,1110 23.743,1111 11.55,1112 2.693,1113 13.936,1114 20.564,1115 -1.832,1116 12.917,1117 14.416,1118 7.902,1119 26.379,1120 12.823,1121 2.623,1122 9.658,1123 22.549,1124 4.164,1125 14.151,1126 15.747,1127 8.539,1128 28.996,1129 14.062,1130 2.271,1131 7.806,1132 24.543,1133 3.23,1134 15.42,1135 17.201,1136 9.436,1137 31.629,1138 15.33,1139 1.962,1140 6.816,1141 26.545,1142 2.853,1143 16.68,1144 18.578,1145 10.13,1146 34.256,1147 16.59,1148 1.757,1149 5.403,1150 28.552,1151 2.697,1152 17.952,1153 20.018,1154 10.981,1155 36.889,1156 17.859,1157 1.33,1158 4.045,1159 30.564,1160 2.356,1161 19.222,1162 21.418,1163 11.71,1164 39.521,1165 19.127,1166 7176,1167 9642,1168 17.682,1169 35.341,1170 39.895,1171 40.973,1172 42.019,1173 39.575,1174 39.59,1175 45.166,1176 7.283,1177 117.2,1178 38.404,1179 5.728,1180 5.832,1181 7.58,1182 5.67,1183 5.597,1184 7.164,1185 3.889,1186 21.932,1187 5.577,1188 13.011,1189 1.478,1190 1.518,1191 1.556,1192 1.466,1193 1.466,1194 1.673,1195 0.27,1196 4.341,1197 1.422,1198 4.098,1199 4.13,1200 4.038,1201 4.028,1202 7.435,1203 4.026,1204 3.769,1205 3.835,1206 3.638,1207 3.625,1208 4.821,1209 3.609,1210 3.675,1211 3.721,1212 3.558,1213 3.533,1214 4.407,1215 3.535,1216 3.523,1217 3.596,1218 3.385,1219 3.313,1220 4.244,1221 3.312,1222 3.447,1223 3.525,1224 3.267,1225 3.286,1226 4.111,1227 3.27,1228 3.27,1229 3.321,1230 3.111,1231 3.04,1232 4.028,1233 3.056,1234 3.111,1235 3.214,1236 2.922,1237 2.927,1238 3.933,1239 2.921,1240 3.098,1241 3.179,1242 2.858,1243 2.913,1244 3.668,1245 2.889,1246 0.175,1247 0.142,1248 0.282,1249 0.17,1250 0.133,1251 4.728,1252 0.154,1253 3.832,1254 0.081,1255 7.627,1256 0.516,1257 4.591,1258 0.132,1259 3.597,1260 4.164,1261 2.186,1262 13.936,1263 3.577,1264 1.905,1265 1.888,1266 2.036,1267 1.998,1268 1.414,1269 2.013,1270 1.822,1271 1.768,1272 2.024,1273 1.985,1274 1.353,1275 1.986,1276 1.763,1277 1.698,1278 1.978,1279 1.933,1280 1.201,1281 1.963,1282 1.502,1283 1.429,1284 1.796,1285 1.747,1286 1.035,1287 1.761,1288 1.463,1289 1.383,1290 1.775,1291 1.668,1292 0.959,1293 1.709,1294 1.212,1295 1.168,1296 1.525,1297 1.493,1298 0.786,1299 1.488,1300 1.147,1301 1.054,1302 1.481,1303 1.391,1304 0.642,1305 1.441,1306 1.109,1307 1.028,1308 1.439,1309 1.329,1310 0.623,1311 1.37,1312 4.007,1314 5.333,1315 2.398,1316 6.868,1317 5.043,1318 8.512,1319 7.391,1320 10.223,1322 6.782,1328 9.892,1329 2.86,1330 5.529,1332 0.528,1333 2.567,1334 0.224,1340 32.374,1341 76.236,1342 161.339,1343 238.661,1344 296.21,1345 300.21,1346 300.21,1347 44.19,1348 7.317,1349 41.57,1350 41.57,1351 17,1352 12.673,1353 3,1354 2.322,1355 42.161,1356 99,1357 131,1358 0.212,1359 199.901,1360 352.9,1361 479.518,1362 13853,1364 17.864,1365 0.715,1366 0.637,1367 17.864,1368 15.937,1369 12.07,1370 0.447,1371 0.367,1372 9.821,1373 11.7,1374 9.502,1375 7.949,1376 12.07,1377 9.913,1378 10.722,1379 0.282,1380 0.205,1381 10.722,1382 7.785,1383 8.912,1384 0.175,1385 0.117,1386 8.912,1387 5.986,1388 7.473,1389 0.107,1390 0.063,1391 7.473,1392 4.431,1393 6.289,1394 0.067,1395 0.036,1396 6.289,1397 3.349,1398 0.339,1399 74.842,1400 0.238,1401 24.607,1402 0.566,1403 130,1404 297.449,1405 140.889,1406 284.829,1407 395.17,1408 268,1409 154,1410 297.064,1411 163.645,1412 298.628,1413 442.22,1414 282,1415 6.876}
{0 CHEMBL64815,1 1.217,2 8.217,3 5.415,4 29.322,5 96.885,6 6.721,7 0.654,8 3.882,9 4.009,10 3.385,11 3.518,12 4.845,13 3.458,14 4.432,15 4.614,16 3.73,17 3.929,18 5.318,19 3.84,20 4.707,21 4.933,22 3.802,23 4.059,24 5.545,25 3.941,26 4.737,27 4.991,28 3.692,29 3.996,30 5.532,31 3.863,32 4.663,33 4.905,34 3.642,35 3.973,36 5.443,37 3.84,38 4.684,39 4.929,40 3.577,41 4.001,42 5.445,43 3.848,44 4.689,45 4.945,46 3.514,47 3.989,48 5.42,49 3.811,50 4.651,51 4.933,52 3.31,53 3.857,54 5.368,55 3.654,56 0.049,57 0.609,58 10.022,59 4.344,60 7.231,61 6.113,62 0.095,63 1.039,64 18.048,65 7.572,66 12.862,67 10.778,68 0.143,69 1.352,70 24.452,71 9.779,72 20.738,73 14.109,74 0.218,75 1.407,76 25.812,77 9.533,78 23.531,79 13.939,80 0.165,81 1.289,82 23.686,83 9.13,84 19.077,85 13.249,86 0.163,87 1.293,88 24.137,89 9.668,90 19.356,91 13.924,92 0.103,93 1.242,94 24.053,95 10.762,96 17.814,97 15.284,98 0.116,99 1.186,100 23.55,101 10.153,102 20.618,103 14.544,104 2,105 36,106 0.209,107 0.543,108 0.721,109 0.82,110 0.857,111 0.857,112 3.19,113 0.982,114 -5.13,115 -5.03,116 -4.71,121 46.7,122 1,123 4,127 1,144 8,145 4,146 1,148 2,176 15,180 4,185 3,187 17,192 4,197 4,200 11,206 2,209 1,211 6,214 8,219 1,224 4,227 15,232 1,239 19,244 2,251 21,256 2,264 17,269 1,277 10,281 763,282 15.999,283 15.999,284 15.999,285 15.999,286 15.999,287 13.936,288 16.014,289 9.628,290 16.102,291 12.886,292 12.886,293 12.886,294 12.886,295 12.886,296 9.748,297 17.227,298 4.625,299 13.067,300 4.274,301 2.33,302 1.295,303 0.717,304 0.506,305 0.506,306 3.895,311 1,312 1,313 420,314 2.345,318 191.944,322 148.295,325 1.096,326 9.007,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 47,338 189,339 4.653,340 3.372,341 6.836,342 4.219,343 3.238,344 4.584,345 0.657,346 11.379,347 3.175,348 3.984,349 2.771,350 6.006,351 3.602,352 2.607,353 3.523,355 8.482,356 2.591,357 3.896,358 2.749,359 5.417,360 3.514,361 2.522,362 3.442,364 7.04,365 2.504,366 3.512,367 2.351,368 5.302,369 3.126,370 2.154,371 2.904,373 6.625,374 2.102,375 3.46,376 2.229,377 4.953,378 3.052,379 2.073,380 2.798,382 5.78,383 2.016,384 2.926,385 1.673,386 4.135,387 2.508,388 1.517,389 2.096,391 3.384,392 1.503,393 2.606,394 1.512,395 3.874,396 2.417,397 1.423,398 1.644,400 3.269,401 1.413,402 2.504,403 1.398,404 3.633,405 2.252,406 1.256,407 1.504,409 3.058,410 1.251,411 2.5,412 1.159,413 3.542,414 2,415 1,416 1.5,418 2.474,419 1,420 2.145,421 1,422 3.247,423 1.965,424 1,425 1.116,427 2.136,428 0.962,429 1.757,430 0.625,431 3.074,432 1.457,433 0.491,434 0.601,436 1.168,437 0.473,438 1.33,439 0.266,440 2.852,441 1.003,442 0.031,443 0.038,445 0.079,446 0.03,447 1.005,448 -0.157,449 2.528,450 0.676,451 -0.302,452 -0.368,454 -0.749,455 -0.294,456 0.748,457 -0.421,458 2.349,459 0.359,460 -0.629,461 -0.787,463 -1.478,464 -0.62,465 0.574,466 -0.551,467 2.148,468 0.25,469 -0.744,470 -0.887,472 -1.953,473 -0.74,474 11.3,475 0.491,476 0.448,477 0.019,478 30.5,479 1.326,480 16.5,481 0.717,482 14,483 0.609,484 18.614,485 0.809,486 23.5,487 0.522,488 18.842,489 0.819,490 5.668,491 0.246,492 5.641,493 0.245,494 0.044,496 0.31,501 0.963,502 1.085,503 0.885,504 0.964,505 0.91,506 0.928,507 1,508 1.12,509 0.933,510 1.007,511 0.827,512 0.974,513 1.124,514 1.208,515 0.977,516 1.058,517 1.044,518 1.018,519 1.618,520 1.044,521 1.067,522 0.963,523 1.297,524 0.98,525 1.534,526 1.02,527 1.086,528 0.98,529 1.126,530 1.002,531 1.45,532 0.888,533 1.152,534 0.98,535 1.245,536 1.036,537 0.467,538 1.007,539 0.994,540 1.089,541 0.718,542 1.075,543 0.632,544 0.967,545 0.992,546 1.042,547 0.886,548 1.038,549 3.5,550 0.012,551 2.222,552 1.188,553 1.382,554 0.611,555 0.486,556 0.21,557 0.143,558 0.064,559 5556,560 10572,561 2.196,562 48.9,563 9,564 10,567 1,568 2,572 1.663,573 2.123,574 3.031,575 -0.455,582 54.787,583 1.217,584 3.162,585 4.197,586 4.775,587 4.986,588 4.986,589 2.353,590 4.176,591 4.495,592 3.165,593 800.728,594 7.773,595 8954.07,600 247.133,601 1.121,602 4.483,603 0.135,604 0.004,605 0.062,606 0.032,607 0.043,608 0.02,609 0.017,610 0.008,611 0.007,612 0.006,613 0.333,614 0.67,615 1,616 0.393,617 105.5,618 0.02,620 0.062,621 0.041,622 0.029,623 0.051,624 0.036,625 -0.075,626 0.03,627 -0.019,628 0.104,629 0.001,630 0.067,631 -0.183,632 0.004,633 -0.092,634 0.031,635 -0.056,636 -0.027,637 0.013,638 -0.059,639 -0.031,640 -0.116,641 -0.044,642 -0.175,643 0.019,644 -0.093,645 -0.028,646 -0.11,647 -0.051,648 -0.3,649 0.126,650 -0.172,651 -0.013,652 -0.236,653 -0.072,654 0.032,655 -0.088,656 -0.043,657 -0.077,658 0.066,659 -0.067,660 0.013,661 -0.052,662 -0.027,663 -0.045,664 0.043,665 -0.039,666 0.639,667 1.933,668 0.87,669 16.877,670 0.979,671 1.114,672 3.901,673 15.221,674 0.681,675 3.296,676 3.611,677 3.912,678 4.22,679 4.533,680 4.595,681 4.762,682 4.905,683 5.004,684 4.92,685 5.143,686 0.629,687 302.45,688 3.296,689 4.828,690 5.687,691 6.569,692 7.451,693 8.344,694 9.236,695 10.134,696 11.032,697 11.935,698 4.4,703 1,708 1,714 2,715 8,716 1,720 5,722 17,734 1,741 45,743 17,744 2,745 26,747 48,748 21,749 15,750 4,751 8,756 4,757 7,763 1,767 4,770 4,772 15,773 6,793 22,794 2,795 1,796 2,802 2,808 0.5,822 1,829 4,833 2,859 2,864 1,868 23,876 5,877 1,901 10.833,902 8.367,903 5.028,904 2.968,907 3.335,908 1.45,909 1.037,910 3.845,911 10.745,912 3.57,913 4.205,914 4.834,915 5.463,916 6.096,917 6.384,918 6.795,919 7.199,920 7.571,921 7.615,922 1,923 37,924 8.522,926 3.605,927 0.026,929 7.355,931 17.078,933 14.532,936 1.855,937 42.667,938 0.001,941 247.193,942 116.666,943 34.796,948 116.666,949 247.193,950 34.796,951 8.825,952 12.244,953 75.81,954 34.796,955 19.787,957 247.193,959 247.193,960 151.463,964 247.193,968 25.97,969 90.696,970 34.796,972 247.193,973 34.796,974 116.666,977 247.193,978 32.031,979 84.635,980 18.011,981 16.786,982 247.193,983 34.796,984 116.666,986 0.575,987 0.336,988 0.193,989 0.115,990 19,991 7,992 0.063,993 3,994 2,995 1.2,996 3.561,997 193.218,998 0.2,999 20,1000 100.042,1005 14.413,1006 6.136,1007 2.871,1008 2.383,1009 34.796,1010 17.199,1011 4.933,1015 6.637,1017 18.011,1018 398.656,1019 34.5,1031 44.04,1032 50.149,1034 0.222,1035 0.576,1036 0.764,1037 0.869,1038 0.908,1039 0.908,1040 4.79,1041 1.256,1042 5.652,1043 3.269,1044 4.29,1045 4.89,1046 0.623,1047 6.463,1048 4.26,1049 5.992,1050 1,1051 7.2,1052 3.058,1053 3.761,1054 4.691,1056 7.357,1057 3.718,1058 7.301,1059 1,1060 8.852,1061 2.474,1062 5.866,1063 7.153,1064 0.317,1065 10.508,1066 5.805,1067 8.65,1068 0.491,1069 10.57,1070 2.136,1071 6.196,1072 7.819,1074 12.291,1075 6.117,1076 10.035,1077 0.031,1078 12.333,1079 1.168,1080 7.74,1081 9.735,1082 0.149,1083 14.961,1084 7.645,1085 11.445,1086 -0.302,1087 14.127,1088 0.079,1089 8.497,1090 10.825,1092 17.117,1093 8.38,1094 12.877,1095 -0.629,1096 15.945,1097 -0.749,1098 9.804,1099 12.51,1100 0.067,1101 19.629,1102 9.671,1103 3.238,1104 -0.744,1105 17.78,1106 -1.478,1107 10.776,1108 13.819,1110 21.944,1111 10.619,1112 2.607,1113 11.379,1114 19.63,1115 -1.953,1116 11.987,1117 15.404,1118 0.03,1119 24.402,1120 11.813,1121 2.522,1122 8.482,1123 21.492,1124 4.584,1125 13.063,1126 16.824,1128 26.783,1129 12.865,1130 2.154,1131 7.04,1132 23.363,1133 3.523,1134 14.241,1135 18.368,1136 0.013,1137 29.223,1138 14.024,1139 2.073,1140 6.625,1141 25.242,1142 3.442,1143 15.367,1144 19.841,1146 31.632,1147 15.126,1148 1.517,1149 5.78,1150 27.128,1151 2.904,1152 16.535,1153 21.369,1154 0.006,1155 34.066,1156 16.274,1157 1.423,1158 3.384,1159 29.019,1160 2.798,1161 17.684,1162 22.868,1164 36.487,1165 17.402,1166 5213,1167 7281,1168 18.087,1169 30.625,1170 38.697,1171 38.96,1172 39.275,1173 38.596,1174 38.623,1175 51.501,1176 1.315,1177 109.745,1178 38.042,1179 5.6,1180 5.372,1181 6.638,1182 5.26,1183 5.238,1184 7.584,1185 1.315,1186 18.912,1187 5.175,1188 5.944,1189 1.488,1190 1.498,1191 1.511,1192 1.484,1193 1.486,1194 1.981,1195 0.051,1196 4.221,1197 1.463,1198 4.122,1199 4.152,1200 4.084,1201 4.053,1202 4.968,1203 4.057,1204 3.899,1205 3.932,1206 3.824,1207 3.841,1208 4.751,1209 3.833,1210 3.752,1211 3.8,1212 3.642,1213 3.672,1214 4.416,1215 3.659,1216 3.406,1217 3.479,1218 3.274,1219 3.26,1220 4.172,1221 3.254,1222 3.255,1223 3.333,1224 3.124,1225 3.084,1226 4.01,1227 3.083,1228 3.08,1229 3.16,1230 2.913,1231 2.948,1232 3.719,1233 2.931,1234 2.983,1235 3.063,1236 2.776,1237 2.837,1238 3.674,1239 2.811,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.624,1245 2.715,1246 0.179,1247 0.13,1248 0.263,1249 0.162,1250 0.125,1251 4.653,1252 0.176,1253 3.372,1254 0.025,1255 6.836,1256 0.438,1257 4.219,1258 0.122,1259 3.238,1260 4.584,1261 0.657,1262 11.379,1263 3.175,1264 2.08,1265 2.056,1266 2.164,1267 2.168,1268 1.437,1269 2.168,1270 1.904,1271 1.874,1272 2.034,1273 1.988,1274 1.196,1275 2.006,1276 1.773,1277 1.729,1278 1.968,1279 1.89,1280 1.139,1281 1.92,1282 1.395,1283 1.333,1284 1.63,1285 1.592,1286 0.793,1287 1.609,1288 1.24,1289 1.167,1290 1.514,1291 1.457,1292 0.73,1293 1.481,1294 1.11,1295 1.037,1296 1.442,1297 1.315,1298 0.639,1299 1.363,1300 1.017,1301 0.942,1302 1.304,1303 1.202,1304 0.474,1305 1.242,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.244,1311 1.107,1312 3.97,1314 5.283,1316 6.815,1318 8.45,1320 10.144,1322 2.153,1328 5.643,1329 3.719,1340 28.311,1341 54.787,1342 142.273,1343 188.869,1344 214.869,1345 224.379,1346 224.379,1347 25.313,1348 7.41,1349 24.92,1350 24.92,1351 24,1352 12.456,1353 4.17,1354 3.248,1355 31.613,1356 67,1357 78,1358 0.223,1359 172.805,1360 290.6,1361 413.405,1362 16387,1364 15.648,1365 0.68,1366 0.591,1367 15.648,1368 13.602,1369 11.31,1370 0.435,1371 0.327,1372 8.475,1373 11.184,1374 8.222,1375 6.843,1376 11.31,1377 8.51,1378 10.031,1379 0.279,1380 0.18,1381 10.031,1382 6.479,1383 8.617,1384 0.176,1385 0.097,1386 8.617,1387 4.729,1388 7.436,1389 0.111,1390 0.053,1391 7.436,1392 3.526,1393 6.61,1394 0.072,1395 0.029,1396 6.61,1397 2.707,1398 0.337,1399 68.72,1400 0.235,1401 22.154,1402 0.651,1403 124,1404 251.978,1405 127.775,1406 258.622,1407 373.95,1408 246,1409 147,1410 289.507,1411 151.496,1412 300.3,1413 441.24,1414 285,1415 5.432}
{0 CHEMBL64894,1 1.236,2 9.429,3 3.205,4 10.273,5 123.864,6 6.424,7 0.4,8 4.106,9 4.246,10 3.556,11 3.665,12 5.12,13 3.603,14 4.627,15 4.852,16 3.869,17 4.039,18 5.511,19 3.965,20 4.796,21 4.981,22 3.974,23 4.265,24 5.715,25 4.152,26 5.029,27 5.276,28 3.929,29 4.354,30 5.859,31 4.194,32 5.055,33 5.316,34 3.868,35 4.343,36 5.857,37 4.164,38 4.961,39 5.239,40 3.782,41 4.202,42 5.714,43 4.03,44 4.71,45 4.947,46 3.778,47 4.035,48 5.525,49 3.912,50 4.708,51 4.925,52 3.856,53 4.067,54 5.596,55 3.97,56 0.07,57 0.813,58 13.477,59 5.381,60 13.155,61 7.839,62 0.203,63 1.302,64 23.366,65 8.091,66 19.928,67 12.227,68 0.142,69 1.526,70 26.966,71 11.37,72 23.486,73 16.326,74 0.176,75 1.785,76 34.087,77 14.584,78 34.014,79 20.945,80 0.151,81 1.782,82 34.816,83 15.452,84 36.062,85 22.038,86 0.154,87 1.61,88 31.844,89 13.555,90 29.756,91 19.564,92 0.134,93 1.344,94 24.916,95 9.918,96 20.325,97 14.547,98 0.194,99 1.411,100 25.286,101 8.875,102 21.411,103 13.413,104 46,105 42,106 0.202,107 0.467,108 0.553,109 0.634,110 0.634,111 0.634,112 3.375,113 0.97,114 -5.53,115 -5.41,116 -5.05,121 43.1,126 6,137 4,138 2,144 8,145 2,146 2,158 1,176 15,180 4,187 21,189 2,192 4,200 24,203 2,206 2,214 24,216 1,219 2,227 24,229 1,232 4,239 12,241 2,244 8,253 4,256 8,266 4,281 1488,282 18.413,283 18.413,284 18.413,285 18.413,286 18.413,287 16.207,288 18.013,289 10.649,290 18.741,291 14.734,292 14.734,293 14.734,294 14.734,295 14.734,296 11.33,297 25.77,298 4.956,299 15.226,300 4.622,301 2.993,302 2.467,303 1.975,304 1.975,305 1.975,306 4.052,311 1,312 1,313 546,314 3.873,318 307.986,325 1.561,326 6.277,329 0.75,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.86,337 57.5,338 264,339 4.543,340 3.209,341 6.784,342 4.153,343 3.155,344 4.157,345 1.072,346 11.169,347 3.15,348 4.173,349 3.113,350 5.927,351 3.711,352 2.755,353 3.64,354 0.8,355 8.207,356 2.638,357 4.066,358 2.973,359 5.927,360 3.711,361 2.755,362 3.623,363 0.8,364 8.207,365 2.638,366 3.961,367 2.914,368 5.904,369 3.61,370 2.663,371 3.366,373 8.109,374 2.521,375 3.449,376 2.175,377 5.203,378 3.071,379 2.092,380 2.705,382 6.2,383 2.043,384 3.428,385 2.164,386 5.203,387 3.071,388 2.092,389 2.658,391 6.2,392 2.043,393 2.732,394 1.56,395 4,396 2.335,397 1.383,398 1.655,400 3.262,401 1.312,402 2.7,403 1.349,404 3.767,405 2.138,406 1.185,407 1.562,409 2.845,410 1.126,411 2.5,412 1.349,413 3.767,414 2.138,415 1.185,416 1.5,418 2.845,419 1.126,420 2.5,421 1,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.414,430 1,431 3.414,432 2,433 1,434 1.4,436 2.275,437 1,438 2.402,439 1,440 3.414,441 2,442 1,443 1.346,445 2.275,446 1,447 1.736,448 0.501,449 3.405,450 1.427,451 0.44,452 0.55,454 1.239,455 0.434,456 1.108,457 -0.295,458 2.355,459 0.516,460 -0.464,461 -0.586,463 -1.089,464 -0.454,465 0.885,466 -0.367,467 2.355,468 0.516,469 -0.464,470 -0.724,472 -1.089,473 -0.454,474 13.7,475 0.489,476 0.809,477 0.029,478 36.25,479 1.295,480 19,481 0.679,482 17.25,483 0.616,484 23.155,485 0.827,486 29.8,487 0.514,488 29.311,489 1.047,490 7.706,491 0.275,492 5.657,493 0.202,494 0.219,496 0.343,501 1.046,502 1.44,503 0.95,504 1.159,505 1.179,506 1.068,507 2.023,508 0.687,509 0.91,510 0.594,511 0.833,512 0.665,513 1.019,514 1.161,515 1.141,516 1.174,517 0.981,518 1.167,519 0.745,520 0.968,521 1.024,522 1.051,523 1.064,524 1.055,525 0.414,526 0.988,527 0.959,528 1.077,529 1.061,530 1.058,531 0.475,532 0.94,533 0.831,534 0.95,535 0.874,536 0.92,537 0.813,538 1.233,539 0.898,540 1.07,541 0.784,542 1.004,543 1.773,544 1.2,545 1.105,546 1.021,547 0.671,548 1.02,549 6,550 0.247,551 4,552 2.25,553 1.387,554 0.75,555 0.725,556 0.896,557 0.444,558 0.274,559 8700,560 16728,561 1.993,562 51.7,564 30,572 1.717,573 1.826,574 3.209,575 -0.884,577 1,582 71.705,583 1.236,584 2.865,585 3.391,586 3.883,587 3.883,588 3.883,589 2.636,590 2.636,591 4.77,592 3.473,593 1312.89,594 8.338,595 17410.7,597 1,600 339.763,601 1.531,602 4.714,603 0.2,604 0.016,605 0.095,606 0.05,607 0.033,608 0.019,609 0.02,610 0.025,611 0.011,612 0.009,613 0.48,614 0.5,615 0.88,616 0.993,617 139.414,618 0.14,619 -0.262,620 0.068,621 -0.099,622 -0.125,623 -0.034,624 -0.276,625 0.465,626 0.137,627 0.368,628 0.122,629 0.295,630 -0.131,631 -0.068,632 -0.153,633 -0.118,634 -0.052,635 -0.134,636 -0.066,637 0.019,638 -0.059,639 -0.021,640 -0.061,641 -0.036,642 0.042,643 -0.049,644 -0.011,645 -0.039,646 -0.051,647 -0.03,648 0.126,649 -0.008,650 0.127,651 0.065,652 0.076,653 0.09,654 0.162,655 -0.208,656 0.091,657 -0.061,658 0.101,659 -0.002,660 -0.142,661 -0.065,662 -0.069,663 -0.053,664 0.244,665 -0.056,666 0.464,667 0.213,668 0.643,669 29.449,670 0.978,671 1.122,672 4.304,673 18.528,674 0.66,675 3.434,676 3.761,677 4.007,678 4.205,679 4.443,680 4.575,681 4.796,682 4.89,683 4.796,684 4.796,685 6.282,686 0.606,687 372.58,688 3.434,689 4.977,690 5.82,691 6.691,692 7.554,693 8.431,694 9.303,695 10.183,696 11.061,697 11.944,698 5.2,704 2,712 1,715 8,720 4,722 12,736 2,741 58,743 16,744 2,745 30,747 60,748 25,749 12,750 4,751 8,752 7,756 3,757 3,772 19,773 6,777 4,784 4,786 3,790 1,793 30,794 2,796 3,802 3,803 1,808 1,829 3,849 4,850 2,859 3,864 6,868 28,881 2,901 15.333,902 12.4,903 6.167,904 3.317,907 2.642,908 1.375,909 0.972,910 6.203,911 9.685,912 3.714,913 4.304,914 4.894,915 5.441,916 6.013,917 6.386,918 6.89,919 7.301,920 7.587,921 7.859,922 1,923 45,924 10.294,926 4.104,927 0.026,929 7.417,931 20.271,933 16.016,936 1.917,937 53.667,940 1,941 353.133,942 185.106,943 8.148,948 185.106,949 353.133,950 8.148,951 50.378,952 1.899,953 113.715,954 2.757,955 24.504,957 353.133,959 353.133,960 193.253,964 355.032,969 153.449,970 37.905,972 353.133,973 8.148,974 185.106,977 353.133,978 21.013,979 172.241,982 353.133,983 8.148,984 185.106,986 0.589,987 0.339,988 0.163,989 0.087,990 19,991 10,992 0.067,993 4,995 1,996 3.817,997 240.125,999 18,1000 73.812,1005 20.158,1006 8.617,1007 4.649,1009 6.249,1010 17.564,1015 4.852,1018 546.387,1019 40,1026 8.782,1028 3.677,1031 56.734,1032 65.1,1034 0.211,1035 0.489,1036 0.579,1037 0.663,1038 0.663,1039 0.663,1040 4.956,1041 1.185,1042 5.82,1043 3.262,1044 4.443,1045 4.99,1046 1.543,1047 6.629,1048 4.387,1049 6.181,1050 1.185,1051 7.391,1052 2.845,1053 4.111,1054 4.745,1055 0.968,1056 7.585,1057 3.995,1058 7.493,1059 1,1060 9.061,1061 2.845,1062 6.043,1063 7.168,1064 1.244,1065 10.638,1066 5.94,1067 8.842,1068 1,1069 10.789,1070 2.275,1071 6.494,1072 7.707,1073 1.058,1074 12.417,1075 6.34,1076 10.221,1077 1,1078 12.553,1079 2.275,1080 7.928,1081 9.607,1082 1.148,1083 15.006,1084 7.787,1085 11.621,1086 0.44,1087 14.342,1088 2.275,1089 8.721,1090 10.523,1091 1.09,1092 17.135,1093 8.548,1094 13.037,1095 -0.464,1096 16.149,1097 1.239,1098 9.957,1099 12.176,1100 1.138,1101 19.581,1102 9.792,1103 3.155,1104 -0.464,1105 17.969,1106 -1.089,1107 10.914,1108 13.299,1109 1.133,1110 21.867,1111 10.732,1112 2.755,1113 11.169,1114 19.8,1115 -1.089,1116 12.069,1117 14.827,1118 1.174,1119 24.275,1120 11.894,1121 2.755,1122 8.207,1123 21.641,1124 4.157,1125 13.106,1126 16.067,1127 1.195,1128 26.63,1129 12.925,1130 2.663,1131 8.207,1132 23.489,1133 3.64,1134 14.232,1135 17.531,1136 1.236,1137 29.033,1138 14.058,1139 2.092,1140 8.109,1141 25.345,1142 3.623,1143 15.309,1144 18.842,1145 1.272,1146 31.419,1147 15.138,1148 2.092,1149 6.2,1150 27.207,1151 3.366,1152 16.428,1153 20.274,1154 1.317,1155 33.823,1156 16.263,1157 1.383,1158 6.2,1159 29.075,1160 2.705,1161 17.528,1162 21.626,1163 1.36,1164 36.223,1165 17.369,1166 8712,1167 12190,1168 19.304,1169 38.296,1170 46.539,1171 45.059,1172 47.465,1173 45.51,1174 45.409,1175 59.321,1176 5.344,1177 130.219,1178 44.062,1179 5.309,1180 5.209,1181 6.199,1182 5.153,1183 5.155,1184 7.157,1185 1.744,1186 17.933,1187 5.15,1188 17.337,1189 1.551,1190 1.502,1191 1.582,1192 1.517,1193 1.514,1194 1.977,1195 0.178,1196 4.341,1197 1.469,1198 4.062,1199 4.09,1200 4.014,1201 4.01,1202 4.868,1203 4.008,1204 3.863,1205 3.914,1206 3.795,1207 3.779,1208 4.687,1209 3.778,1210 3.859,1211 3.899,1212 3.794,1213 3.753,1214 4.684,1215 3.757,1216 3.554,1217 3.63,1218 3.444,1219 3.365,1220 4.3,1221 3.376,1222 3.4,1223 3.491,1224 3.228,1225 3.184,1226 4.157,1227 3.183,1228 3.393,1229 3.477,1230 3.227,1231 3.176,1232 4.153,1233 3.175,1234 2.999,1235 3.063,1236 2.849,1237 2.893,1238 3.838,1239 2.875,1240 2.95,1241 3.009,1242 2.808,1243 2.846,1244 3.674,1245 2.828,1246 0.151,1247 0.107,1248 0.226,1249 0.138,1250 0.105,1251 4.543,1252 0.139,1253 3.209,1254 0.036,1255 6.784,1256 0.372,1257 4.153,1258 0.105,1259 3.155,1260 4.157,1261 1.072,1262 11.169,1263 3.15,1264 2.025,1265 2.004,1266 2.108,1267 2.097,1268 1.257,1269 2.103,1270 1.85,1271 1.818,1272 1.974,1273 1.989,1274 1.075,1275 1.989,1276 1.838,1277 1.797,1278 1.974,1279 1.966,1280 1.075,1281 1.972,1282 1.508,1283 1.433,1284 1.76,1285 1.737,1286 0.855,1287 1.75,1288 1.386,1289 1.293,1290 1.695,1291 1.63,1292 0.758,1293 1.658,1294 1.383,1295 1.292,1296 1.678,1297 1.605,1298 0.739,1299 1.635,1300 1.028,1301 0.969,1302 1.417,1303 1.239,1304 0.469,1305 1.308,1306 0.972,1307 0.921,1308 1.417,1309 1.239,1310 0.469,1311 1.308,1312 4.111,1314 5.434,1316 6.952,1318 8.551,1320 10.192,1322 12.414,1333 4.252,1340 35.176,1341 71.705,1342 166.175,1343 196.704,1344 225.234,1345 225.234,1346 225.234,1347 37.026,1348 7.043,1349 9.49,1350 9.49,1351 18,1352 12.479,1353 4.087,1354 3.459,1355 49.299,1356 96,1357 106,1358 0.235,1359 220.971,1360 390.1,1361 530.93,1362 8592,1364 20.259,1365 0.724,1366 0.637,1367 20.259,1368 17.823,1369 13.363,1370 0.445,1371 0.323,1372 9.584,1373 13.014,1374 9.042,1375 7.742,1376 13.363,1377 9.7,1378 12.334,1379 0.294,1380 0.187,1381 12.334,1382 7.835,1383 9.911,1384 0.184,1385 0.094,1386 9.911,1387 5.096,1388 7.744,1389 0.117,1390 0.05,1391 7.744,1392 3.323,1393 6.104,1394 0.073,1395 0.026,1396 6.104,1397 2.187,1398 0.361,1399 82.411,1400 0.228,1401 26.478,1402 0.671,1403 144,1404 301.623,1405 149.245,1406 310.242,1407 440.14,1408 292,1409 168,1410 335.915,1411 174.495,1412 356.711,1413 510.22,1414 330,1415 5.233}
{0 CHEMBL65018,1 1.41,2 16.758,3 4.644,4 21.567,5 133.403,6 6.116,7 0.167,8 4.383,9 4.525,10 3.785,11 3.829,12 5.257,13 3.782,14 5.023,15 5.244,16 4.143,17 4.269,18 5.857,19 4.19,20 5.304,21 5.551,22 4.193,23 4.479,24 6.041,25 4.348,26 5.431,27 5.717,28 4.089,29 4.507,30 6.143,31 4.336,32 5.38,33 5.667,34 3.933,35 4.397,36 6.125,37 4.202,38 5.287,39 5.602,40 3.779,41 4.198,42 5.977,43 4.008,44 5.014,45 5.287,46 3.74,47 4.016,48 5.829,49 3.874,50 4.95,51 5.213,52 3.675,53 3.95,54 5.843,55 3.822,56 0.071,57 1.071,58 19.217,59 7.062,60 9.632,61 10.511,62 0.584,63 1.742,64 36.51,65 11.571,66 40.876,67 17.819,68 0.464,69 2.157,70 46.883,71 15.889,72 35.536,73 24.229,74 0.501,75 2.259,76 52.319,77 17.379,78 46.965,79 26.847,80 0.501,81 2.014,82 49.521,83 16.762,84 52.59,85 25.406,86 0.583,87 1.669,88 44.981,89 14.136,90 48.413,91 21.674,92 0.471,93 1.381,94 35.092,95 10.89,96 39.63,97 16.546,98 0.553,99 1.305,100 33.483,101 9.599,102 49.636,103 14.812,104 17,105 50,106 0.222,107 0.463,108 0.695,109 0.807,110 0.845,111 0.858,112 3.531,113 1.069,114 -4.04,115 -3.99,116 -3.78,121 34.7,122 1,123 7,125 1,126 2,127 7,130 1,144 3,145 1,146 2,161 1,176 10,179 2,180 8,183 2,185 1,187 10,191 1,192 9,197 1,200 8,206 8,211 3,214 5,218 1,219 9,224 3,227 3,231 1,232 5,237 2,239 2,243 1,244 6,247 1,249 3,251 4,255 1,256 3,259 1,264 5,269 4,272 1,277 7,281 2181,282 22.343,283 22.343,284 22.343,285 22.343,286 22.343,287 21.528,288 32.09,289 13.525,290 22.989,291 17.783,292 17.783,293 17.783,294 17.783,295 17.783,296 16.416,297 42.083,298 6.487,299 18.773,300 4.819,301 3.283,302 1.807,303 1.097,304 0.857,305 0.777,306 4.226,312 1,313 1207,314 4.416,317 156.794,318 222.333,320 126.233,321 134.527,324 187.004,325 2.582,326 23.673,329 1,330 0.67,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.83,337 71,338 553,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 3.983,349 3.663,350 6.211,351 3.64,352 2.69,353 3.318,354 0.966,355 8.828,356 2.559,357 3.683,358 2.885,359 6.169,360 3.439,361 2.522,362 2.886,363 0.86,364 8.458,365 2.31,366 3.522,367 2.821,368 5.451,369 3.402,370 2.461,371 2.604,372 0.8,373 7.187,374 2.297,375 3.476,376 2.742,377 5.34,378 3.307,379 2.373,380 2.522,381 0.693,382 6.965,383 2.203,384 3.307,385 2.506,386 4.864,387 3,388 2.042,389 2.424,390 0.366,391 5.477,392 1.946,393 2.881,394 2.176,395 4.696,396 2.853,397 1.86,398 1.88,400 4.381,401 1.84,402 2.628,403 1.913,404 4.214,405 2.56,406 1.606,407 1.636,409 3.767,410 1.536,411 2.609,412 1.747,413 3.895,414 2.421,415 1.483,416 1.612,418 3.286,419 1.388,420 2.519,421 1.651,422 3.725,423 2.309,424 1.392,425 1.523,427 3.06,428 1.259,429 2.42,430 1.256,431 3.684,432 2.128,433 1.134,434 1.414,436 2.912,437 1.126,438 2.041,439 1.239,440 3.5,441 1.969,442 1.007,443 1.025,445 2.136,446 0.961,447 2,448 1.171,449 3.247,450 1.952,451 1,452 1,454 2.108,455 0.946,456 1.784,457 0.93,458 3.171,459 1.695,460 0.73,461 0.76,463 1.812,464 0.702,465 1.531,466 0.772,467 3.087,468 1.459,469 0.497,470 0.506,472 1.06,473 0.475,474 15.6,475 0.473,476 0.771,477 0.023,478 30.5,479 0.924,480 8.5,481 0.258,482 22,483 0.667,484 38.849,485 1.177,486 39.6,487 0.528,488 21.601,489 0.655,490 5.333,491 0.162,492 10.654,493 0.323,494 0.118,495 0.032,496 0.237,501 0.855,502 1.718,503 0.981,504 1.431,505 0.637,506 1.247,507 1.047,508 1.047,509 1.034,510 0.968,511 0.543,512 0.981,513 0.953,514 1.193,515 1.053,516 1.127,517 0.706,518 1.106,519 0.863,520 1.008,521 1.025,522 1.036,523 0.78,524 1.04,525 0.881,526 1.102,527 1.03,528 1.151,529 1.123,530 1.12,531 1.093,532 0.799,533 0.848,534 0.812,535 1.152,536 0.808,537 1.299,538 1.017,539 0.994,540 1.002,541 1.512,542 0.974,543 1.724,544 0.921,545 1.167,546 0.912,547 2.545,548 0.966,549 6,550 0.114,551 3.778,552 3.333,553 1.397,554 0.736,555 0.532,556 0.356,557 0.258,558 0.161,559 19959,560 37938,561 2.072,562 56,563 11,564 23,565 1,567 1,569 6,572 1.741,573 1.951,574 3.924,575 -0.382,582 105.718,583 1.41,584 2.946,585 4.422,586 5.132,587 5.372,588 5.452,589 3.343,590 4.863,591 5.014,592 4.191,593 2212.73,594 8.715,595 37544.1,600 467.161,601 1.455,602 4.975,603 0.167,604 0.005,605 0.076,606 0.065,607 0.032,608 0.021,609 0.017,610 0.012,611 0.009,612 0.006,613 0.41,614 0.5,615 0.88,616 0.522,617 182.967,618 0.021,619 -0.316,620 0.085,621 -0.139,622 0.01,623 -0.037,624 0.099,625 0.164,626 0.032,627 0.103,628 0.179,629 0.068,630 -0.042,631 -0.087,632 -0.051,633 -0.055,634 0.004,635 -0.056,636 -0.065,637 0.013,638 -0.057,639 -0.033,640 0.026,641 -0.038,642 0.006,643 -0.143,644 -0.067,645 -0.148,646 -0.039,647 -0.121,648 0.003,649 0.051,650 0.122,651 0.105,652 -0.031,653 0.125,654 -0.004,655 -0.064,656 0.027,657 -0.031,658 -0.007,659 -0.006,660 -0.149,661 0.06,662 -0.098,663 0.027,664 -0.177,665 -0.025,666 2.017,667 5.295,668 0.545,669 44.413,670 0.989,671 1.14,672 2.808,673 7.882,674 0.611,675 3.611,676 3.932,677 4.22,678 4.522,679 4.7,680 4.754,681 4.92,682 4.977,683 4.942,684 4.934,685 9.794,686 0.563,687 458.72,688 3.611,689 5.153,690 6.009,691 6.903,692 7.789,693 8.704,694 9.613,695 10.543,696 11.468,697 12.409,698 5.3,701 2,704 1,705 1,715 3,720 3,722 6,736 1,737 1,741 75,743 7,744 1,745 36,747 78,748 26,749 6,750 3,751 3,756 4,757 7,763 1,764 1,766 1,767 1,770 7,772 7,773 19,777 1,782 1,786 1,793 42,794 7,795 1,796 7,802 4,808 0.5,809 3,825 1,828 2,829 2,831 1,832 1,835 1,855 2,858 1,859 2,864 3,868 33,876 14,877 1,878 2,880 1,881 3,882 1,893 4,896 1,897 1,898 1,901 16.917,902 13.933,903 7.319,904 4.99,907 1.233,908 1.156,909 0.932,910 8.554,911 9.143,912 3.714,913 4.151,914 4.588,915 5.078,916 5.518,917 5.747,918 6.099,919 6.335,920 6.385,921 6.395,922 0.909,923 51,924 12.329,926 5.146,927 0.026,929 7.462,931 24.733,933 20.87,936 1.962,937 64.75,941 482.615,942 109.45,943 27.384,945 47.145,948 109.45,949 529.76,950 27.384,951 25.618,952 55.466,953 28.429,954 36.145,955 31.559,956 18.534,957 470.844,959 482.615,960 136.834,961 47.145,964 411.989,965 106.771,966 11,968 70.54,969 66.294,972 482.615,973 74.528,974 109.45,977 482.615,978 55.403,979 63.42,980 18.011,981 47.145,982 482.615,983 74.528,984 109.45,986 0.575,987 0.335,988 0.185,989 0.096,990 23,991 10,992 0.141,993 11,994 2,995 1.222,996 4.652,997 284.268,998 0.222,999 18,1000 162.465,1005 24.776,1006 11.393,1007 5.842,1009 74.528,1010 6.076,1015 3.168,1017 18.011,1018 666.594,1019 40,1024 12.295,1028 -0.35,1031 74.178,1032 85.51,1034 0.226,1035 0.473,1036 0.71,1037 0.824,1038 0.862,1039 0.875,1040 4.994,1041 1.606,1042 6.009,1043 4.381,1044 4.615,1045 4.836,1046 2.654,1047 6.891,1048 4.516,1049 6.138,1050 1.483,1051 7.611,1052 3.767,1053 4.29,1054 4.62,1055 1.961,1056 8.207,1057 4.165,1058 7.436,1059 1.392,1060 9.346,1061 3.286,1062 6.286,1063 6.798,1064 3.576,1065 11.388,1066 6.113,1067 8.777,1068 1.134,1069 11.171,1070 3.06,1071 6.889,1072 7.465,1073 3.621,1074 13.68,1075 6.715,1076 10.168,1077 1.007,1078 13.06,1079 2.912,1080 8.382,1081 9.175,1082 4.921,1083 16.509,1084 8.175,1085 11.596,1086 1,1087 14.998,1088 2.136,1089 9.412,1090 10.243,1091 5.294,1092 19.114,1093 9.209,1094 13.053,1095 0.73,1096 16.971,1097 2.108,1098 10.756,1099 11.789,1100 6.39,1101 21.866,1102 10.532,1103 3.737,1104 0.497,1105 18.97,1106 1.812,1107 11.965,1108 13.044,1109 6.931,1110 24.56,1111 11.736,1112 2.69,1113 15.306,1114 20.99,1115 1.06,1116 13.276,1117 14.527,1118 7.902,1119 27.295,1120 13.03,1121 2.522,1122 8.828,1123 23.024,1124 4.206,1125 14.552,1126 15.872,1127 8.539,1128 30.013,1129 14.294,1130 2.461,1131 8.458,1132 25.07,1133 3.318,1134 15.861,1135 17.329,1136 9.436,1137 32.743,1138 15.585,1139 2.373,1140 7.187,1141 27.124,1142 2.886,1143 17.163,1144 18.717,1145 10.13,1146 35.468,1147 16.87,1148 2.042,1149 6.965,1150 29.184,1151 2.604,1152 18.475,1153 20.163,1154 10.981,1155 38.197,1156 18.163,1157 1.86,1158 5.477,1159 31.25,1160 2.522,1161 19.786,1162 21.574,1163 11.71,1164 40.924,1165 19.455,1166 18766,1167 26031,1168 24.038,1169 45.853,1170 53.341,1171 54.468,1172 55.383,1173 53.14,1174 53.122,1175 58.696,1176 11.742,1177 153.626,1178 50.463,1179 5.832,1180 5.973,1181 7.916,1182 5.817,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 15.541,1189 1.482,1190 1.513,1191 1.538,1192 1.476,1193 1.476,1194 1.63,1195 0.326,1196 4.267,1197 1.402,1198 4.093,1199 4.132,1200 4.039,1201 3.996,1202 7.435,1203 4.001,1204 3.853,1205 3.918,1206 3.718,1207 3.692,1208 4.835,1209 3.683,1210 3.751,1211 3.812,1212 3.645,1213 3.57,1214 4.628,1215 3.576,1216 3.698,1217 3.744,1218 3.575,1219 3.551,1220 4.451,1221 3.552,1222 3.574,1223 3.641,1224 3.437,1225 3.39,1226 4.248,1227 3.385,1228 3.393,1229 3.45,1230 3.257,1231 3.145,1232 4.148,1233 3.168,1234 3.286,1235 3.38,1236 3.11,1237 3.064,1238 4.057,1239 3.061,1240 3.244,1241 3.338,1242 3.043,1243 3.039,1244 3.914,1245 3.027,1246 0.134,1247 0.11,1248 0.222,1249 0.131,1250 0.104,1251 4.832,1252 0.117,1253 3.973,1254 0.061,1255 8.006,1256 0.425,1257 4.714,1258 0.102,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.903,1265 1.884,1266 2.055,1267 2.011,1268 1.413,1269 2.023,1270 1.815,1271 1.752,1272 2.004,1273 1.995,1274 1.31,1275 1.996,1276 1.718,1277 1.654,1278 1.953,1279 1.927,1280 1.271,1281 1.945,1282 1.633,1283 1.577,1284 1.835,1285 1.836,1286 1.135,1287 1.837,1288 1.56,1289 1.492,1290 1.825,1291 1.788,1292 1.057,1293 1.802,1294 1.532,1295 1.451,1296 1.787,1297 1.746,1298 1.012,1299 1.77,1300 1.321,1301 1.256,1302 1.61,1303 1.594,1304 0.888,1305 1.596,1306 1.225,1307 1.135,1308 1.577,1309 1.487,1310 0.825,1311 1.521,1312 4.29,1314 5.609,1315 3.045,1316 7.125,1317 5.638,1318 8.748,1319 7.921,1320 10.442,1322 6.679,1328 15.231,1329 2.917,1330 11.009,1332 0.371,1333 7.273,1334 0.08,1340 42.239,1341 105.718,1342 220.969,1343 331.62,1344 384.897,1345 402.897,1346 408.897,1347 60.457,1348 7.91,1349 57.28,1350 57.28,1351 22,1352 12.908,1353 3,1354 2.322,1355 55.297,1356 195,1357 201,1358 0.132,1359 258.054,1360 457.83,1361 621.412,1362 36913,1364 23.261,1365 0.705,1366 0.63,1367 23.261,1368 20.775,1369 15.987,1370 0.444,1371 0.356,1372 12.625,1373 15.274,1374 12.266,1375 10.171,1376 15.987,1377 12.823,1378 14.253,1379 0.285,1380 0.204,1381 14.253,1382 10.203,1383 11.884,1384 0.177,1385 0.116,1386 11.884,1387 7.786,1388 10.208,1389 0.112,1390 0.065,1391 10.208,1392 5.944,1393 7.814,1394 0.072,1395 0.037,1396 7.814,1397 3.985,1398 0.223,1399 100.664,1400 0.204,1401 32.139,1402 0.325,1403 172,1404 422.475,1405 189.986,1406 395.566,1407 542.69,1408 374,1409 203,1410 396.278,1411 221.575,1412 398.751,1413 589.73,1414 373,1415 7.097}
{0 CHEMBL653,1 1.8,2 11.19,3 1.071,4 1.146,5 89.117,6 7.893,7 0.238,8 3.808,9 3.947,10 3.504,11 3.3,12 4.914,13 3.211,14 4.326,15 4.543,16 3.754,17 3.633,18 5.478,19 3.502,20 4.414,21 4.632,22 3.682,23 3.681,24 5.368,25 3.515,26 4.569,27 4.841,28 3.804,29 3.745,30 5.512,31 3.524,32 4.457,33 4.699,34 3.567,35 3.627,36 5.468,37 3.456,38 4.437,39 4.676,40 3.414,41 3.547,42 5.437,43 3.333,44 4.154,45 4.383,46 3.409,47 3.359,48 5.117,49 3.152,50 4.081,51 4.354,52 3.079,53 3.235,54 4.888,55 3.037,56 0.145,57 0.656,58 10.097,59 3.909,60 8.736,61 5.096,62 0.387,63 0.943,64 24.292,65 6.475,66 46.663,67 8.215,68 0.343,69 0.991,70 25.063,71 7.082,72 27.415,73 9.437,74 0.465,75 1.034,76 33.409,77 9.383,78 41.559,79 11.539,80 0.41,81 0.923,82 28.371,83 7.265,84 43.415,85 9.191,86 0.454,87 0.837,88 28.966,89 7.678,90 56.928,91 9.422,92 0.287,93 0.687,94 23.673,95 6.231,96 30.124,97 7.422,98 0.212,99 0.621,100 21.568,101 5.808,102 17.768,103 7.181,104 45,105 26,106 0.323,107 0.617,108 0.786,109 0.83,110 0.83,111 0.83,112 3.1,113 1.21,114 -1.62,115 -1.69,116 -1.72,121 28.6,126 3,127 4,139 1,141 1,148 1,153 1,163 1,168 2,179 1,180 1,184 1,191 1,192 2,195 2,197 1,209 4,214 1,224 1,232 2,235 1,244 2,249 1,259 1,268 1,272 1,274 1,281 606,282 13.715,283 13.715,284 13.715,285 13.715,286 13.715,287 12.538,288 19.828,289 8.55,290 14.492,291 10.343,292 10.343,293 10.343,294 10.343,295 10.343,296 8.507,297 24.185,298 4.045,299 11.529,300 3.592,301 1.958,302 1.013,303 0.768,304 0.768,305 0.768,306 3.738,311 1,312 1,313 458,314 4.243,317 72.51,325 1.819,326 18.478,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 46.5,338 235,339 4.124,340 4.25,341 5.675,342 3.658,343 2.763,344 3.735,345 3.272,346 7.971,347 2.466,348 4.05,349 3.687,350 5.406,351 3.499,352 2.561,353 3.592,354 2.612,355 7.118,356 2.402,357 3.462,358 2.998,359 5.029,360 3.161,361 2.243,362 2.654,363 0.916,364 6.084,365 2.052,366 3.37,367 2.728,368 4.415,369 2.895,370 1.95,371 2.507,372 0.647,373 4.551,374 1.84,375 2.918,376 2.625,377 4.338,378 2.636,379 1.776,380 1.954,381 0.247,382 4.34,383 1.513,384 2.618,385 2.241,386 3.673,387 2.396,388 1.504,389 1.615,390 0.172,391 3.215,392 1.322,393 2.214,394 1.725,395 3.281,396 1.698,397 0.863,398 1.093,400 1.879,401 0.705,402 1.877,403 1.239,404 3.068,405 1.485,406 0.687,407 0.819,409 1.545,410 0.538,411 1.591,412 1,413 2.551,414 1.24,415 0.327,416 0.373,418 0.485,419 0.297,420 1.097,421 0.76,422 2.461,423 0.82,424 -0.088,425 -0.102,427 -0.207,428 -0.078,429 1,430 0.698,431 2.31,432 0.566,433 -0.348,434 -0.39,436 -0.913,437 -0.315,438 0.799,439 0.053,440 1.779,441 0.189,442 -0.702,443 -0.804,445 -1.624,446 -0.619,447 0.442,448 0.003,449 1.396,451 -1,452 -1,454 -2,455 -0.9,456 0.066,457 -0.6,458 1.227,459 -0.1,460 -1,461 -1.176,463 -2,464 -0.957,466 -0.611,467 1.106,468 -0.192,469 -1.096,470 -1.566,471 -0.247,472 -2.527,473 -1,474 10.333,475 0.492,476 0.493,477 0.023,478 21.5,479 1.024,480 8,481 0.381,482 13.5,483 0.643,484 19.181,485 0.913,486 25.067,487 0.597,488 13.535,489 0.645,490 4.018,491 0.191,492 5.989,493 0.285,494 0.21,496 0.223,501 0.573,502 1.523,503 0.78,504 1.017,505 0.517,506 1.095,507 0.847,508 1.056,509 1.154,510 1.05,511 0.362,512 0.9,513 0.79,514 1.149,515 1.132,516 1.225,517 0.694,518 1.235,519 0.442,520 0.964,521 0.822,522 0.903,523 0.369,524 0.917,525 1.277,526 0.947,527 1.254,528 1.077,529 1.126,530 1.033,531 1.342,532 1.02,533 1.286,534 1.195,535 1.626,536 1.167,537 0.956,538 1.254,539 1.306,540 1.422,541 1.069,542 1.187,543 0.585,544 1.063,545 1.223,546 1.248,547 0.388,548 0.98,549 5,550 0.086,551 1.111,552 1.319,553 0.685,554 0.462,555 0.178,556 0.197,557 0.099,558 0.149,559 4532,560 15686,561 1.868,562 50,564 17,565 2,567 2,572 1.622,573 1.726,574 3.466,575 0.519,576 1,577 1,579 1,582 75.609,583 1.8,584 3.434,585 4.38,586 4.624,587 4.624,588 4.624,589 2.915,590 3.821,591 4.365,592 3.665,593 769.606,594 7.429,595 9115.78,596 1,597 1,600 226.477,601 1.475,602 4.302,603 0.238,604 0.007,605 0.043,606 0.06,607 0.03,608 0.023,609 0.012,610 0.014,611 0.007,612 0.011,613 0.444,614 0.33,615 1,616 2.681,617 99.58,618 0.17,619 -0.205,620 0.079,621 0.029,622 0.014,623 -0.045,624 0.025,625 0.112,626 -0.029,627 0.078,628 0.283,629 0.111,630 -0.028,631 -0.023,632 -0.133,633 -0.163,634 -0.085,635 -0.213,636 0.266,637 -0.005,638 0.195,639 0.122,640 0.18,641 0.097,642 -0.264,643 0.09,644 -0.178,645 -0.022,646 -0.124,647 -0.052,648 -0.207,649 -0.073,650 -0.185,651 -0.107,652 -0.25,653 -0.163,654 -0.044,655 -0.212,656 -0.056,657 -0.18,658 -0.091,659 -0.124,660 0.069,661 -0.082,662 -0.078,663 -0.109,664 0.09,665 0.069,666 2.479,667 3.355,668 0.238,669 20.041,670 1.009,671 1.145,672 0.387,673 0.149,674 0.651,675 3.091,676 3.296,677 3.332,678 3.497,679 3.401,680 3.332,681 3.296,682 3.135,683 3.135,684 3.178,685 6.868,686 0.598,687 331.52,688 3.091,689 4.554,690 5.303,691 6.116,692 6.887,693 7.703,694 8.484,695 9.302,696 10.09,697 10.908,698 11.9,700 2,701 1,708 1,710 1,715 1,716 1,719 1,720 2,722 5,741 42,743 8,745 21,747 42,748 12,749 3,756 1,757 1,772 5,773 7,777 3,779 1,782 2,784 1,786 1,789 1,790 1,793 21,794 6,795 2,796 9,797 2,802 5,808 1,809 2,828 1,853 2,854 1,855 1,859 1,860 1,862 2,864 3,868 21,876 4,877 2,879 1,881 1,887 1,893 4.8,899 2,901 12.167,902 8.183,903 4.917,904 2.164,907 1.289,908 1.22,909 0.902,910 8.837,911 7.158,912 3.314,913 3.767,914 4.041,915 4.467,916 4.42,917 4.379,918 4.408,919 4.172,920 4.261,921 4.563,922 1,923 22,924 7.704,926 2.953,927 0.026,929 7.913,931 14.615,933 10.777,936 2.413,937 50.667,941 223.651,942 117.408,943 61.601,945 50.747,947 63.497,948 53.911,949 274.398,950 61.601,951 30.859,952 15.058,953 43.671,954 17.715,955 8.209,956 23.542,957 263.606,958 50.747,959 223.651,960 115.512,961 50.747,962 63.497,964 223.651,966 50.747,968 48.843,969 49.884,970 16.786,971 63.497,972 223.651,973 112.348,974 117.408,977 223.651,978 75.522,979 50.68,980 36.022,981 67.532,982 223.651,983 112.348,984 117.408,986 0.551,987 0.276,988 0.149,989 0.072,990 8,991 5,992 0.238,993 10,995 1,996 3.426,997 130.155,999 5,1000 88.239,1001 2,1005 18.361,1006 10.107,1007 8.36,1009 106.678,1010 2.088,1011 4.561,1014 1.681,1015 2.219,1017 36.022,1018 453.407,1019 26.5,1021 -0.479,1024 20.709,1026 0.929,1028 0.419,1031 42.385,1032 48.072,1034 0.334,1035 0.637,1036 0.812,1037 0.858,1038 0.858,1039 0.858,1040 4.491,1041 0.687,1042 5.242,1043 1.879,1044 3.97,1045 4.449,1046 3.586,1047 5.883,1048 3.765,1049 5.645,1050 0.327,1051 6.696,1052 1.545,1053 3.434,1054 4.248,1055 2.396,1056 6.447,1057 3.211,1058 6.906,1059 -0.088,1060 8.238,1061 0.485,1062 5.398,1063 6.478,1064 5.685,1065 9.405,1066 5.008,1067 8.199,1068 -0.348,1069 9.828,1070 -0.207,1071 5.602,1072 7.074,1073 4.512,1074 10.747,1075 5.177,1076 9.521,1077 -0.702,1078 11.45,1079 -0.913,1080 7.054,1081 8.786,1082 7.951,1083 13.191,1084 6.484,1085 10.86,1086 -1,1087 13.092,1088 -1.624,1089 7.623,1090 9.745,1091 6.557,1092 14.892,1093 6.996,1094 12.214,1095 -1,1096 14.749,1097 -2,1098 8.842,1099 11.238,1100 10.266,1101 17.121,1102 8.087,1103 2.763,1104 -1.096,1105 16.418,1106 -2,1107 9.608,1108 12.373,1109 8.548,1110 18.999,1111 8.777,1112 2.561,1113 7.971,1114 18.095,1115 -2.527,1116 10.712,1117 13.767,1118 12.603,1119 21.132,1120 9.764,1121 2.243,1122 7.118,1123 19.779,1124 3.735,1125 11.585,1126 14.988,1127 10.509,1128 23.1,1129 10.548,1130 1.95,1131 6.084,1132 21.47,1133 3.592,1134 12.634,1135 16.334,1136 14.954,1137 25.19,1138 11.485,1139 1.776,1140 4.551,1141 23.165,1142 2.654,1143 13.565,1144 17.597,1145 12.452,1146 27.204,1147 12.318,1148 1.504,1149 4.34,1150 24.863,1151 2.507,1152 14.587,1153 18.922,1154 17.312,1155 29.277,1156 13.23,1157 0.863,1158 3.215,1159 26.566,1160 1.954,1161 15.549,1162 20.206,1163 14.386,1164 31.314,1165 14.09,1166 4828,1167 9124,1168 13.118,1169 27.324,1170 29.732,1171 32.752,1172 30.304,1173 29.221,1174 29.347,1175 36.681,1176 15.736,1177 74.378,1178 26.27,1179 5.049,1180 6.011,1181 5.449,1182 4.801,1183 4.749,1184 6.347,1185 6.545,1186 13.548,1187 4.237,1188 13.45,1189 1.416,1190 1.56,1191 1.443,1192 1.391,1193 1.397,1194 1.747,1195 0.749,1196 3.542,1197 1.251,1198 3.895,1199 3.932,1200 4.235,1201 3.876,1202 7.816,1203 3.799,1204 3.839,1205 3.881,1206 3.858,1207 3.575,1208 6.999,1209 3.599,1210 3.564,1211 3.639,1212 3.77,1213 3.409,1214 4.81,1215 3.362,1216 3.496,1217 3.563,1218 3.395,1219 3.277,1220 4.54,1221 3.262,1222 3.338,1223 3.43,1224 3.306,1225 2.975,1226 4.266,1227 3.02,1228 3.056,1229 3.127,1230 3.013,1231 2.93,1232 4.047,1233 2.869,1234 2.874,1235 3.009,1236 2.685,1237 2.618,1238 3.747,1239 2.588,1240 2.844,1241 2.933,1242 2.569,1243 2.605,1244 3.51,1245 2.57,1246 0.196,1247 0.202,1248 0.27,1249 0.174,1250 0.132,1251 4.124,1252 0.178,1253 4.25,1254 0.156,1255 5.675,1256 0.38,1257 3.658,1258 0.117,1259 2.763,1260 3.735,1261 3.272,1262 7.971,1263 2.466,1264 1.694,1265 1.64,1266 1.848,1267 2.013,1268 1.123,1269 1.945,1270 1.617,1271 1.55,1272 1.842,1273 1.857,1274 1.02,1275 1.865,1276 1.556,1277 1.527,1278 1.69,1279 1.736,1280 0.872,1281 1.744,1282 1.366,1283 1.311,1284 1.595,1285 1.635,1286 0.746,1287 1.611,1288 1.225,1289 1.166,1290 1.493,1291 1.563,1292 0.621,1293 1.584,1294 1.219,1295 1.13,1296 1.417,1297 1.346,1298 0.487,1299 1.417,1300 0.934,1301 0.804,1302 1.395,1303 1.239,1304 0.469,1305 1.308,1306 0.825,1307 0.762,1308 1.035,1309 1.123,1310 0.271,1311 1.139,1312 3.761,1314 4.99,1315 2.398,1316 6.358,1317 4.595,1318 7.794,1319 6.555,1320 9.274,1322 5.704,1328 3.255,1329 5.729,1331 1.753,1333 2.098,1340 25.125,1341 75.609,1342 144.236,1343 183.948,1344 194.213,1345 194.213,1346 194.213,1347 47.943,1348 5.869,1349 86.01,1350 139.55,1351 5,1352 11.498,1353 3.17,1354 2.7,1355 54.338,1356 88,1357 67,1358 0.301,1359 171.001,1360 291.94,1361 409.003,1362 2326,1364 15.665,1365 0.746,1366 0.671,1367 16.372,1368 14.091,1369 10.007,1370 0.477,1371 0.403,1372 6.469,1373 8.463,1374 5.996,1375 5.088,1376 10.961,1377 8.471,1378 8.716,1379 0.335,1380 0.253,1381 9.792,1382 6.576,1383 5.561,1384 0.206,1385 0.157,1386 6.776,1387 4.242,1388 4.52,1389 0.141,1390 0.102,1391 5.833,1392 3.261,1393 2.893,1394 0.1,1395 0.073,1396 3.979,1397 2.121,1398 0.496,1399 73.722,1400 0.276,1401 21.792,1402 0.757,1403 94,1404 340.793,1405 148.257,1406 364.128,1407 465.59,1408 336,1409 100,1410 293.108,1411 146.584,1412 316.907,1413 443.09,1414 289,1415 5.251}
{0 CHEMBL65356,1 1.439,2 15.129,3 3.732,4 13.925,5 124.201,6 6.241,7 0.176,8 4.309,9 4.448,10 3.731,11 3.749,12 5.201,13 3.71,14 4.946,15 5.164,16 4.099,17 4.192,18 5.802,19 4.123,20 5.218,21 5.457,22 4.151,23 4.406,24 5.981,25 4.286,26 5.356,27 5.637,28 4.042,29 4.436,30 6.089,31 4.273,32 5.3,33 5.583,34 3.878,35 4.317,36 6.07,37 4.13,38 5.199,39 5.512,40 3.715,41 4.1,42 5.912,43 3.919,44 4.897,45 5.162,46 3.673,47 3.901,48 5.755,49 3.774,50 4.822,51 5.073,52 3.607,53 3.824,54 5.767,55 3.714,56 0.056,57 0.994,58 17.544,59 6.377,60 8.752,61 9.508,62 0.57,63 1.617,64 33.734,65 10.419,66 39.759,67 16.115,68 0.438,69 2.005,70 43.164,71 14.449,72 33.776,73 22.043,74 0.485,75 2.106,76 48.92,77 15.967,78 45.591,79 24.755,80 0.481,81 1.861,82 46.199,83 15.38,84 51.578,85 23.366,86 0.576,87 1.516,88 41.878,89 12.769,90 48.234,91 19.678,92 0.477,93 1.229,94 31.637,95 9.626,96 38.8,97 14.498,98 0.516,99 1.152,100 29.82,101 8.295,102 47.786,103 12.782,104 17,105 48,106 0.23,107 0.487,108 0.724,109 0.829,110 0.852,111 0.861,112 3.471,113 1.043,114 -3.63,115 -3.6,116 -3.43,121 34.8,122 1,123 5,125 1,126 2,127 7,130 1,144 3,145 1,146 2,161 1,176 8,179 2,180 8,183 2,185 1,187 8,191 1,192 9,197 1,200 6,206 8,211 3,214 3,218 1,219 9,224 3,227 2,231 1,232 4,237 1,239 2,243 1,244 5,247 2,249 2,251 4,255 1,256 1,259 1,264 5,268 2,269 1,277 7,281 1765,282 20.929,283 20.929,284 20.929,285 20.929,286 20.929,287 20.113,288 32.09,289 12.525,290 21.575,291 16.783,292 16.783,293 16.783,294 16.783,295 16.783,296 15.416,297 42.083,298 5.987,299 17.773,300 4.67,301 3.068,302 1.586,303 0.931,304 0.786,305 0.728,306 4.166,311 1,312 1,313 1027,314 4.183,317 140.711,318 200.32,320 113.345,321 120.686,324 168.017,325 2.318,326 23.41,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 67,338 469,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 3.983,349 3.663,350 6.211,351 3.64,352 2.69,353 3.318,354 0.966,355 8.828,356 2.559,357 3.683,358 2.885,359 6.169,360 3.439,361 2.522,362 2.886,363 0.86,364 8.458,365 2.311,366 3.522,367 2.821,368 5.451,369 3.402,370 2.461,371 2.604,372 0.8,373 7.187,374 2.297,375 3.476,376 2.742,377 5.34,378 3.307,379 2.373,380 2.522,381 0.693,382 6.965,383 2.203,384 3.307,385 2.506,386 4.864,387 2.997,388 2.04,389 2.424,390 0.366,391 5.477,392 1.94,393 2.814,394 2.176,395 4.696,396 2.772,397 1.786,398 1.813,400 4.381,401 1.757,402 2.617,403 1.868,404 4.214,405 2.443,406 1.526,407 1.631,409 3.638,410 1.403,411 2.532,412 1.746,413 3.842,414 2.397,415 1.467,416 1.535,418 3.148,419 1.353,420 2.514,421 1.471,422 3.723,423 2.136,424 1.188,425 1.514,427 3.06,428 1.128,429 2.227,430 1.256,431 3.622,432 2.123,433 1.133,434 1.213,436 2.492,437 1.104,438 2,439 1.171,440 3.331,441 1.952,442 1,443 1,445 2.136,446 0.946,447 1.786,448 0.944,449 3.247,450 1.697,451 0.734,452 0.763,454 1.825,455 0.705,456 1.64,457 0.882,458 3.088,459 1.552,460 0.595,461 0.609,463 1.278,464 0.565,465 1.232,466 0.678,467 2.961,468 0.963,469 0.033,470 0.035,472 0.079,473 0.03,474 14.6,475 0.471,476 0.771,477 0.025,478 29.5,479 0.952,480 8.5,481 0.274,482 21,483 0.677,484 35.027,485 1.13,486 37,487 0.536,488 21.256,489 0.686,490 5.333,491 0.172,492 9.654,493 0.311,494 0.126,495 0.034,496 0.253,501 0.854,502 1.733,503 0.952,504 1.427,505 0.634,506 1.229,507 1.053,508 1.012,509 1.009,510 0.922,511 0.541,512 0.938,513 0.969,514 1.21,515 1.065,516 1.14,517 0.716,518 1.118,519 0.867,520 1.008,521 1.032,522 1.039,523 0.782,524 1.046,525 0.888,526 1.11,527 1.038,528 1.166,529 1.133,530 1.134,531 1.112,532 0.783,533 0.843,534 0.794,535 1.172,536 0.791,537 1.342,538 0.967,539 1.008,540 0.99,541 1.586,542 0.97,543 1.783,544 0.99,545 1.192,546 0.953,547 2.694,548 0.996,549 6,550 0.131,551 3.778,552 3.333,553 1.397,554 0.736,555 0.532,556 0.356,557 0.233,558 0.181,559 16009,560 31444,561 2.077,562 55.1,563 7,564 23,565 1,567 1,569 6,572 1.726,573 1.948,574 3.786,575 -0.361,582 99.273,583 1.439,584 3.04,585 4.522,586 5.177,587 5.322,588 5.38,589 3.208,590 4.567,591 4.924,592 4.038,593 1877.82,594 8.543,595 29389,600 421.488,601 1.501,602 4.881,603 0.176,604 0.006,605 0.079,606 0.068,607 0.033,608 0.022,609 0.018,610 0.013,611 0.009,612 0.008,613 0.433,614 0.5,615 1,616 0.541,617 166.833,618 0.013,619 -0.34,620 0.088,621 -0.151,622 0.003,623 -0.04,624 0.088,625 0.196,626 0.046,627 0.136,628 0.176,629 0.096,630 -0.056,631 -0.094,632 -0.068,633 -0.064,634 -0.007,635 -0.069,636 -0.073,637 0.014,638 -0.067,639 -0.037,640 0.019,641 -0.044,643 -0.154,644 -0.076,645 -0.162,646 -0.049,647 -0.134,648 -0.004,649 0.055,650 0.133,651 0.117,652 -0.04,653 0.14,654 0.001,655 -0.014,656 0.021,657 -0.023,658 -0.021,659 -0.007,660 -0.161,661 -0.008,662 -0.115,663 -0.01,664 -0.204,665 -0.056,666 2.023,667 5.261,668 0.581,669 38.119,670 0.991,671 1.14,672 2.396,673 5.739,674 0.613,675 3.555,676 3.892,677 4.19,678 4.5,679 4.682,680 4.736,681 4.905,682 4.963,683 4.927,684 4.927,685 8.838,686 0.568,687 430.66,688 3.555,689 5.106,690 5.969,691 6.87,692 7.763,693 8.683,694 9.596,695 10.529,696 11.457,697 12.401,698 5.8,701 2,704 1,705 1,715 3,720 3,722 6,736 1,737 1,741 69,743 7,744 1,745 34,747 72,748 24,749 6,750 3,751 3,756 4,757 7,763 1,764 1,766 1,767 1,770 5,772 7,773 17,777 1,782 1,786 1,793 38,794 7,795 1,796 7,802 4,808 0.5,809 3,825 1,828 2,829 2,831 1,832 1,835 1,855 2,858 1,859 2,864 3,868 31,876 12,877 1,878 2,880 1,881 3,882 1,893 4.3,896 1,897 1,898 1,901 15.917,902 12.933,903 6.819,904 4.49,907 1.242,908 1.159,909 0.935,910 7.422,911 9.072,912 3.664,913 4.119,914 4.567,915 5.065,916 5.51,917 5.74,918 6.095,919 6.331,920 6.381,921 6.395,922 0.9,923 49,924 11.572,926 4.86,927 0.026,929 7.492,931 23.1,933 19.536,936 1.992,937 61.75,941 435.531,942 104.381,943 27.384,945 47.145,948 104.381,949 482.675,950 27.384,951 25.618,952 50.397,953 28.429,954 36.145,955 31.559,956 18.534,957 423.76,959 435.531,960 131.765,961 47.145,964 364.904,965 106.771,966 11,968 65.471,969 66.294,972 435.531,973 74.528,974 104.381,977 435.531,978 50.334,979 63.42,980 18.011,981 47.145,982 435.531,983 74.528,984 104.381,986 0.58,987 0.34,988 0.189,989 0.098,990 23,991 10,992 0.125,993 9,994 2,995 1.222,996 4.412,997 267.319,998 0.222,999 18,1000 149.58,1005 22.842,1006 10.073,1007 5.027,1009 74.528,1010 6.061,1015 3.158,1017 18.011,1018 614.44,1019 38,1024 12.261,1028 -0.357,1031 68.41,1032 78.68,1034 0.236,1035 0.498,1036 0.74,1037 0.848,1038 0.871,1039 0.881,1040 4.952,1041 1.526,1042 5.979,1043 4.381,1044 4.575,1045 4.804,1046 2.654,1047 6.874,1048 4.472,1049 6.108,1050 1.467,1051 7.591,1052 3.638,1053 4.29,1054 4.62,1055 1.961,1056 8.207,1057 4.165,1058 7.414,1059 1.188,1060 9.334,1061 3.148,1062 6.263,1063 6.785,1064 3.576,1065 11.386,1066 6.086,1067 8.761,1068 1.133,1069 11.164,1070 3.06,1071 6.889,1072 7.465,1073 3.621,1074 13.68,1075 6.715,1076 10.157,1077 1,1078 13.057,1079 2.492,1080 8.373,1081 9.171,1082 4.921,1083 16.509,1084 8.163,1085 11.588,1086 0.734,1087 14.996,1088 2.136,1089 9.412,1090 10.243,1091 5.294,1092 19.114,1093 9.209,1094 13.048,1095 0.595,1096 16.97,1097 1.825,1098 10.753,1099 11.788,1100 6.39,1101 21.866,1102 10.528,1103 3.737,1104 0.033,1105 18.97,1106 1.278,1107 11.965,1108 13.044,1109 6.931,1110 24.56,1111 11.736,1112 2.69,1113 15.306,1114 20.989,1115 0.079,1116 13.275,1117 14.527,1118 7.902,1119 27.295,1120 13.029,1121 2.522,1122 8.828,1123 23.024,1124 4.206,1125 14.552,1126 15.872,1127 8.539,1128 30.013,1129 14.294,1130 2.461,1131 8.458,1132 25.07,1133 3.318,1134 15.861,1135 17.328,1136 9.436,1137 32.743,1138 15.585,1139 2.373,1140 7.187,1141 27.124,1142 2.886,1143 17.163,1144 18.717,1145 10.13,1146 35.468,1147 16.87,1148 2.04,1149 6.965,1150 29.184,1151 2.604,1152 18.475,1153 20.163,1154 10.981,1155 38.197,1156 18.163,1157 1.786,1158 5.477,1159 31.25,1160 2.522,1161 19.786,1162 21.574,1163 11.71,1164 40.924,1165 19.455,1166 15052,1167 21229,1168 22.652,1169 42.33,1170 50.804,1171 51.927,1172 52.823,1173 50.569,1174 50.569,1175 56.144,1176 11.742,1177 148.517,1178 47.911,1179 5.832,1180 5.973,1181 7.87,1182 5.817,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 14.747,1189 1.494,1190 1.527,1191 1.554,1192 1.487,1193 1.487,1194 1.651,1195 0.345,1196 4.368,1197 1.409,1198 4.092,1199 4.131,1200 4.039,1201 3.995,1202 7.435,1203 4.001,1204 3.846,1205 3.911,1206 3.715,1207 3.67,1208 4.835,1209 3.667,1210 3.731,1211 3.784,1212 3.64,1213 3.566,1214 4.627,1215 3.571,1216 3.678,1217 3.732,1218 3.544,1219 3.512,1220 4.451,1221 3.513,1222 3.495,1223 3.556,1224 3.374,1225 3.269,1226 4.239,1227 3.278,1228 3.317,1229 3.399,1230 3.156,1231 3.084,1232 4.125,1233 3.094,1234 3.257,1235 3.347,1236 3.072,1237 3.043,1238 4.015,1239 3.034,1240 3.203,1241 3.271,1242 3.025,1243 2.947,1244 3.899,1245 2.967,1246 0.142,1247 0.117,1248 0.235,1249 0.139,1250 0.11,1251 4.832,1252 0.124,1253 3.973,1254 0.064,1255 8.006,1256 0.45,1257 4.714,1258 0.108,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.903,1265 1.884,1266 2.035,1267 2.01,1268 1.383,1269 2.017,1270 1.799,1271 1.735,1272 2.004,1273 1.993,1274 1.31,1275 1.994,1276 1.679,1277 1.615,1278 1.918,1279 1.896,1280 1.221,1281 1.911,1282 1.632,1283 1.577,1284 1.832,1285 1.836,1286 1.058,1287 1.837,1288 1.534,1289 1.454,1290 1.787,1291 1.758,1292 1.018,1293 1.776,1294 1.444,1295 1.376,1296 1.724,1297 1.695,1298 1.01,1299 1.703,1300 1.238,1301 1.165,1302 1.58,1303 1.514,1304 0.825,1305 1.533,1306 1.153,1307 1.064,1308 1.513,1309 1.427,1310 0.654,1311 1.432,1312 4.234,1314 5.565,1315 3.045,1316 7.093,1317 5.638,1318 8.725,1319 7.921,1320 10.428,1322 6.67,1328 12.386,1329 2.904,1330 10.982,1332 0.37,1333 7.235,1334 0.079,1340 39.186,1341 99.273,1342 209.785,1343 312.03,1344 357.224,1345 367.224,1346 371.224,1347 54.076,1348 7.83,1349 57.28,1350 57.28,1351 22,1352 12.898,1353 3,1354 2.322,1355 50.192,1356 165,1357 172,1358 0.144,1359 238.869,1360 423.23,1361 574.601,1362 31814,1364 21.847,1365 0.705,1366 0.625,1367 21.847,1368 19.361,1369 14.987,1370 0.441,1371 0.348,1372 11.625,1373 14.274,1374 11.285,1375 9.337,1376 14.987,1377 11.823,1378 13.546,1379 0.282,1380 0.198,1381 13.546,1382 9.496,1383 11.384,1384 0.175,1385 0.112,1386 11.384,1387 7.286,1388 9.854,1389 0.111,1390 0.063,1391 9.854,1392 5.591,1393 7.564,1394 0.071,1395 0.035,1396 7.564,1397 3.735,1398 0.239,1399 94.664,1400 0.21,1401 30.233,1402 0.36,1403 164,1404 414.475,1405 181.986,1406 387.243,1407 531.17,1408 366,1409 195,1410 388.278,1411 213.575,1412 390.428,1413 578.21,1414 365,1415 6.032}
{0 CHEMBL65585,1 1.361,2 19.973,3 6.469,4 41.845,5 151.807,6 5.918,7 0.15,8 4.518,9 4.663,10 3.886,11 3.971,12 5.361,13 3.912,14 5.162,15 5.387,16 4.225,17 4.408,18 5.957,19 4.311,20 5.457,21 5.718,22 4.272,23 4.611,24 6.151,25 4.462,26 5.567,27 5.86,28 4.177,29 4.636,30 6.243,31 4.451,32 5.523,33 5.816,34 4.034,35 4.539,36 6.227,37 4.333,38 5.442,39 5.761,40 3.896,41 4.369,42 6.094,43 4.164,44 5.213,45 5.499,46 3.862,47 4.218,48 5.963,49 4.051,50 5.161,51 5.44,52 3.805,53 4.164,54 5.976,55 4.008,56 0.098,57 1.225,58 22.497,59 8.432,60 11.235,61 12.502,62 0.611,63 1.991,64 41.937,65 13.856,66 43.017,67 21.174,68 0.508,69 2.462,70 53.998,71 18.737,72 38.655,73 28.49,74 0.532,75 2.566,76 58.93,77 20.183,78 49.46,79 30.962,80 0.537,81 2.321,82 56.006,83 19.518,84 54.481,85 29.437,86 0.601,87 1.976,88 51.144,89 16.869,90 49.077,91 25.64,92 0.507,93 1.687,94 41.841,95 13.684,96 42.059,97 20.684,98 0.58,99 1.611,100 40.294,101 12.418,102 51.324,103 19.012,104 17,105 54,106 0.208,107 0.423,108 0.639,109 0.745,110 0.795,111 0.832,112 3.641,113 1.112,114 -4.83,115 -4.74,116 -4.45,121 34.5,122 1,123 11,125 1,126 2,127 7,130 1,144 3,145 1,146 2,161 1,176 14,179 2,180 8,183 2,185 1,187 14,191 1,192 9,197 1,200 12,206 8,211 3,214 9,218 1,219 9,224 3,227 7,231 1,232 5,237 2,239 6,243 1,244 6,247 1,249 3,251 7,255 1,256 4,259 1,261 1,264 7,269 5,274 1,277 8,281 3128,282 25.172,283 25.172,284 25.172,285 25.172,286 25.172,287 24.356,288 32.09,289 15.525,290 25.818,291 19.783,292 19.783,293 19.783,294 19.783,295 19.783,296 18.416,297 42.083,298 7.487,299 20.773,300 5.082,301 3.67,302 2.257,303 1.561,304 1.233,305 0.992,306 4.337,312 1,313 1603,314 4.848,317 189.734,318 266.338,320 152.624,321 162.992,324 225.926,325 3.113,326 24.028,329 0.75,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.74,337 79,338 739,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 3.983,349 3.663,350 6.211,351 3.64,352 2.69,353 3.318,354 0.966,355 8.828,356 2.559,357 3.683,358 2.885,359 6.169,360 3.439,361 2.522,362 2.886,363 0.86,364 8.458,365 2.31,366 3.522,367 2.821,368 5.451,369 3.402,370 2.461,371 2.604,372 0.8,373 7.187,374 2.297,375 3.476,376 2.742,377 5.34,378 3.307,379 2.373,380 2.522,381 0.693,382 6.965,383 2.203,384 3.307,385 2.506,386 4.864,387 3.003,388 2.043,389 2.424,390 0.366,391 5.477,392 1.959,393 2.941,394 2.176,395 4.696,396 2.925,397 1.93,398 1.941,400 4.381,401 1.908,402 2.782,403 1.954,404 4.214,405 2.756,406 1.765,407 1.781,409 3.884,410 1.747,411 2.619,412 1.817,413 3.946,414 2.528,415 1.574,416 1.632,418 3.57,419 1.507,420 2.581,421 1.746,422 3.803,423 2.421,424 1.481,425 1.58,427 3.219,428 1.389,429 2.518,430 1.59,431 3.724,432 2.325,433 1.396,434 1.523,436 3.06,437 1.281,438 2.419,439 1.289,440 3.648,441 2.128,442 1.135,443 1.414,445 2.894,446 1.127,447 2.144,448 1.256,449 3.483,450 2.086,451 1.117,452 1.134,454 2.306,455 1.072,456 2,457 1.171,458 3.247,459 1.952,460 1,461 1,463 2.136,464 0.946,465 1.797,466 0.954,467 3.226,468 1.741,469 0.771,470 0.784,472 1.83,473 0.744,474 17.6,475 0.476,476 0.771,477 0.021,478 32.5,479 0.878,480 8.5,481 0.23,482 24,483 0.649,484 46.715,485 1.263,486 44.8,487 0.515,488 22.2,489 0.6,490 5.333,491 0.144,492 12.654,493 0.342,494 0.104,495 0.028,496 0.21,501 0.858,502 1.694,503 1.03,504 1.439,505 0.643,506 1.277,507 1.041,508 1.103,509 1.079,510 1.042,511 0.549,512 1.049,513 0.93,514 1.165,515 1.036,516 1.107,517 0.693,518 1.086,519 0.859,520 1.008,521 1.017,522 1.03,523 0.777,524 1.032,525 0.871,526 1.089,527 1.019,528 1.129,529 1.108,530 1.1,531 1.064,532 0.825,533 0.858,534 0.84,535 1.122,536 0.834,537 1.205,538 1.007,539 0.976,540 1.001,541 1.4,542 0.976,543 1.567,544 0.928,545 1.114,546 0.93,547 2.308,548 0.97,549 6,550 0.131,551 3.778,552 3.333,553 1.397,554 0.736,555 0.532,556 0.356,557 0.258,558 0.161,559 29619,560 53358,561 2.064,562 57.5,563 19,564 23,565 1,567 1,569 6,572 1.767,573 1.956,574 4.168,575 -0.419,582 118.382,583 1.361,584 2.773,585 4.186,586 4.882,587 5.21,588 5.451,589 3.584,590 4.993,591 5.18,592 4.455,593 2966.85,594 9.034,595 58252.2,600 560.536,601 1.371,602 5.146,603 0.15,604 0.005,605 0.07,606 0.061,607 0.029,608 0.019,609 0.015,610 0.01,611 0.008,612 0.006,613 0.373,614 0.33,615 0.75,616 0.488,617 215.859,618 0.034,619 -0.278,620 0.079,621 -0.121,622 0.021,623 -0.032,624 0.113,625 0.113,626 0.007,627 0.052,628 0.182,629 0.024,630 -0.021,631 -0.076,632 -0.027,633 -0.042,634 0.019,635 -0.038,636 -0.052,637 0.011,638 -0.042,639 -0.027,640 0.035,641 -0.029,642 0.015,643 -0.125,644 -0.054,645 -0.126,646 -0.023,647 -0.102,648 0.013,649 0.045,650 0.105,651 0.086,652 -0.018,653 0.103,654 0.02,655 -0.053,656 0.033,657 -0.024,658 0.018,659 -0.001,660 -0.099,661 0.049,662 -0.064,663 0.022,664 -0.122,665 -0.015,666 2.009,667 5.348,668 0.486,669 58.181,670 0.985,671 1.14,672 3.595,673 12.926,674 0.608,675 3.714,676 4.007,677 4.277,678 4.564,679 4.736,680 4.787,681 4.949,682 5.004,683 4.97,684 4.963,685 11.691,686 0.556,687 514.84,688 3.714,689 5.242,690 6.084,691 6.965,692 7.841,693 8.746,694 9.647,695 10.569,696 11.489,697 12.425,698 4.6,701 2,704 1,705 1,715 3,720 3,722 6,736 1,737 1,741 87,743 7,744 1,745 40,747 90,748 30,749 6,750 3,751 3,756 4,757 7,763 1,764 1,766 1,767 1,770 11,772 7,773 23,777 1,782 1,786 1,793 50,794 7,795 1,796 7,802 4,808 0.5,809 3,825 1,828 2,829 2,831 1,832 1,835 1,855 2,858 1,859 2,864 3,868 37,876 18,877 1,878 2,880 1,881 3,882 1,893 3.4,896 1,897 1,898 1,901 18.917,902 15.933,903 8.319,904 5.99,907 1.214,908 1.151,909 0.928,910 10.972,911 9.272,912 3.807,913 4.212,914 4.627,915 5.102,916 5.534,917 5.759,918 6.108,919 6.342,920 6.391,921 6.402,922 0.923,923 55,924 13.842,926 5.719,927 0.026,929 7.412,931 27.999,933 23.536,936 1.912,937 70.75,941 576.784,942 119.588,943 27.384,945 47.145,948 119.588,949 623.929,950 27.384,951 25.618,952 65.604,953 28.429,954 36.145,955 31.559,956 18.534,957 565.013,959 576.784,960 146.972,961 47.145,964 506.157,965 106.771,966 11,968 80.678,969 66.294,972 576.784,973 74.528,974 119.588,977 576.784,978 65.541,979 63.42,980 18.011,981 47.145,982 576.784,983 74.528,984 119.588,986 0.567,987 0.326,988 0.178,989 0.092,990 23,991 10,992 0.167,993 15,994 2,995 1.222,996 5.121,997 318.643,998 0.222,999 18,1000 188.75,1005 28.665,1006 14.163,1007 7.62,1009 74.528,1010 6.096,1015 3.181,1017 18.011,1018 770.9,1019 44,1024 12.348,1028 -0.342,1031 85.712,1032 99.171,1034 0.211,1035 0.43,1036 0.65,1037 0.758,1038 0.809,1039 0.846,1040 5.072,1041 1.765,1042 6.066,1043 4.381,1044 4.691,1045 4.898,1046 2.654,1047 6.923,1048 4.6,1049 6.197,1050 1.574,1051 7.65,1052 3.884,1053 4.29,1054 4.62,1055 1.961,1056 8.207,1057 4.165,1058 7.48,1059 1.481,1060 9.37,1061 3.57,1062 6.33,1063 6.825,1064 3.576,1065 11.393,1066 6.165,1067 8.808,1068 1.396,1069 11.185,1070 3.219,1071 6.889,1072 7.465,1073 3.621,1074 13.68,1075 6.715,1076 10.19,1077 1.135,1078 13.068,1079 3.06,1080 8.4,1081 9.183,1082 4.921,1083 16.509,1084 8.197,1085 11.61,1086 1.117,1087 15.002,1088 2.894,1089 9.412,1090 10.243,1091 5.294,1092 19.114,1093 9.209,1094 13.062,1095 1,1096 16.973,1097 2.306,1098 10.762,1099 11.791,1100 6.39,1101 21.866,1102 10.539,1103 3.737,1104 0.771,1105 18.971,1106 2.136,1107 11.965,1108 13.044,1109 6.931,1110 24.56,1111 11.736,1112 2.69,1113 15.306,1114 20.99,1115 1.83,1116 13.278,1117 14.528,1118 7.902,1119 27.295,1120 13.032,1121 2.522,1122 8.828,1123 23.024,1124 4.206,1125 14.552,1126 15.872,1127 8.539,1128 30.013,1129 14.294,1130 2.461,1131 8.458,1132 25.07,1133 3.318,1134 15.862,1135 17.329,1136 9.436,1137 32.743,1138 15.586,1139 2.373,1140 7.187,1141 27.124,1142 2.886,1143 17.163,1144 18.717,1145 10.13,1146 35.468,1147 16.87,1148 2.043,1149 6.965,1150 29.184,1151 2.604,1152 18.475,1153 20.163,1154 10.981,1155 38.197,1156 18.163,1157 1.93,1158 5.477,1159 31.25,1160 2.522,1161 19.786,1162 21.574,1163 11.71,1164 40.924,1165 19.455,1166 27882,1167 37659,1168 26.811,1169 52.898,1170 58.41,1171 59.524,1172 60.468,1173 58.272,1174 58.223,1175 63.797,1176 11.742,1177 163.83,1178 55.563,1179 5.832,1180 5.973,1181 7.958,1182 5.817,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 17.082,1189 1.46,1190 1.488,1191 1.512,1192 1.457,1193 1.456,1194 1.595,1195 0.294,1196 4.096,1197 1.389,1198 4.094,1199 4.133,1200 4.04,1201 3.997,1202 7.435,1203 4.002,1204 3.864,1205 3.928,1206 3.724,1207 3.721,1208 4.835,1209 3.706,1210 3.783,1211 3.847,1212 3.654,1213 3.612,1214 4.628,1215 3.609,1216 3.716,1217 3.765,1218 3.61,1219 3.564,1220 4.451,1221 3.568,1222 3.667,1223 3.727,1224 3.516,1225 3.514,1226 4.261,1227 3.507,1228 3.538,1229 3.606,1230 3.396,1231 3.357,1232 4.183,1233 3.35,1234 3.394,1235 3.455,1236 3.244,1237 3.167,1238 4.104,1239 3.178,1240 3.293,1241 3.386,1242 3.115,1243 3.075,1244 4.018,1245 3.073,1246 0.121,1247 0.099,1248 0.2,1249 0.118,1250 0.093,1251 4.832,1252 0.105,1253 3.973,1254 0.055,1255 8.006,1256 0.383,1257 4.714,1258 0.091,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.903,1265 1.884,1266 2.076,1267 2.012,1268 1.442,1269 2.03,1270 1.833,1271 1.772,1272 2.007,1273 1.998,1274 1.35,1275 1.998,1276 1.765,1277 1.701,1278 2.001,1279 1.961,1280 1.31,1281 1.98,1282 1.673,1283 1.609,1284 1.922,1285 1.873,1286 1.239,1287 1.896,1288 1.633,1289 1.577,1290 1.833,1291 1.836,1292 1.123,1293 1.837,1294 1.539,1295 1.466,1296 1.808,1297 1.765,1298 1.058,1299 1.782,1300 1.524,1301 1.448,1302 1.787,1303 1.735,1304 1.013,1305 1.76,1306 1.346,1307 1.277,1308 1.644,1309 1.6,1310 0.941,1311 1.611,1312 4.394,1314 5.694,1315 3.045,1316 7.188,1317 5.638,1318 8.791,1319 7.921,1320 10.471,1322 6.693,1328 21.024,1329 2.935,1330 11.047,1332 0.372,1333 7.315,1334 0.081,1340 48.346,1341 118.382,1342 241.279,1343 364.19,1344 424.762,1345 453.252,1346 474.271,1347 74.262,1348 8.058,1349 57.28,1350 57.28,1351 22,1352 12.928,1353 3,1354 2.322,1355 66.091,1356 264,1357 262,1358 0.115,1359 296.423,1360 527.03,1361 715.033,1362 48391,1364 26.089,1365 0.705,1366 0.638,1367 26.089,1368 23.604,1369 17.987,1370 0.45,1371 0.371,1372 14.625,1373 17.274,1374 14.226,1375 11.837,1376 17.987,1377 14.823,1378 15.667,1379 0.29,1380 0.215,1381 15.667,1382 11.617,1383 12.884,1384 0.181,1385 0.124,1386 12.884,1387 8.786,1388 10.915,1389 0.115,1390 0.07,1391 10.915,1392 6.652,1393 8.314,1394 0.074,1395 0.04,1396 8.314,1397 4.485,1398 0.198,1399 112.664,1400 0.193,1401 35.805,1402 0.275,1403 188,1404 438.475,1405 205.986,1406 412.213,1407 565.73,1408 390,1409 219,1410 412.278,1411 237.575,1412 415.398,1413 612.77,1414 389,1415 7.155}
{0 CHEMBL65667,1 1.49,2 12.643,3 2.239,4 5.014,5 110.355,6 6.476,7 0.194,8 4.185,9 4.321,10 3.643,11 3.616,12 5.11,13 3.591,14 4.817,15 5.03,16 4.03,17 4.063,18 5.715,19 4.015,20 5.073,21 5.295,22 4.084,23 4.286,24 5.883,25 4.185,26 5.231,27 5.504,28 3.968,29 4.322,30 6.003,31 4.171,32 5.166,33 5.438,34 3.792,35 4.185,36 5.979,37 4.01,38 5.058,39 5.371,40 3.62,41 3.924,42 5.83,43 3.759,44 4.667,45 4.919,46 3.596,47 3.672,48 5.618,49 3.587,50 4.584,51 4.794,52 3.531,53 3.561,54 5.712,55 3.522,56 0.03,57 0.879,58 14.977,59 5.348,60 7.298,61 7.991,62 0.549,63 1.431,64 29.466,65 8.677,66 38.03,67 13.514,68 0.394,69 1.777,70 37.286,71 12.259,72 30.755,73 18.664,74 0.482,75 1.876,76 43.673,77 13.971,78 43.781,79 21.609,80 0.42,81 1.63,82 40.916,83 13.421,84 48.784,85 20.385,86 0.678,87 1.286,88 37.654,89 10.618,90 52.812,91 16.657,92 0.407,93 0.98,94 25.521,95 7.289,96 32.037,97 11.108,98 0.529,99 0.879,100 24.281,101 5.908,102 52.683,103 8.872,104 17,105 45,106 0.246,107 0.524,108 0.753,109 0.841,110 0.852,111 0.852,112 3.374,113 0.999,114 -2.98,115 -2.98,116 -2.88,121 35,122 1,123 2,125 1,126 2,127 7,130 1,144 3,145 1,146 2,161 1,176 5,179 2,180 8,183 2,185 1,187 6,191 1,192 8,200 5,206 7,209 1,211 2,214 3,218 1,219 6,224 2,227 2,231 3,232 1,237 1,239 2,243 1,244 2,247 2,249 2,251 2,255 1,256 2,259 1,264 1,268 2,269 3,277 2,281 1264,282 18.808,283 18.808,284 18.808,285 18.808,286 18.808,287 17.992,288 32.09,289 11.025,290 19.454,291 15.283,292 15.283,293 15.283,294 15.283,295 15.283,296 13.916,297 44.583,298 5.237,299 16.273,300 4.417,301 2.729,302 1.337,303 0.804,304 0.738,305 0.738,306 4.068,311 1,312 1,313 779,314 3.808,317 117.199,318 167.183,320 94.496,321 100.523,324 140.264,325 1.98,326 22.784,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 61,338 354,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 3.983,349 3.663,350 6.211,351 3.64,352 2.69,353 3.318,354 0.966,355 8.828,356 2.559,357 3.684,358 2.885,359 6.169,360 3.443,361 2.524,362 2.886,363 0.86,364 8.458,365 2.318,366 3.522,367 2.821,368 5.451,369 3.398,370 2.459,371 2.606,372 0.8,373 7.188,374 2.288,375 3.473,376 2.742,377 5.34,378 3.304,379 2.371,380 2.518,381 0.693,382 6.965,383 2.198,384 3.305,385 2.506,386 4.863,387 2.984,388 2.028,389 2.423,390 0.366,391 5.474,392 1.924,393 2.631,394 2.176,395 4.696,396 2.525,397 1.6,398 1.638,400 4.38,401 1.478,402 2.607,403 1.748,404 4.214,405 2.415,406 1.478,407 1.61,409 3.305,410 1.381,411 2.518,412 1.68,413 3.728,414 2.174,415 1.259,416 1.522,418 3.06,419 1.136,420 2.311,421 1.256,422 3.704,423 2.127,424 1.133,425 1.295,427 2.692,428 1.122,429 2,430 1.171,431 3.433,432 1.952,433 1,434 1,436 2.136,437 0.946,438 1.785,439 0.94,440 3.247,441 1.695,442 0.731,443 0.761,445 1.823,446 0.703,447 1.464,448 0.843,449 3.088,450 1.338,451 0.407,452 0.42,454 0.923,455 0.376,456 1.228,457 0.649,458 2.953,459 0.869,460 -0.076,461 -0.089,463 -0.196,464 -0.071,465 0.762,466 0.004,467 2.637,468 0.64,469 -0.299,470 -0.308,472 -0.742,473 -0.28,474 13.1,475 0.468,476 0.771,477 0.028,478 28,479 1,480 8.5,481 0.304,482 19.5,483 0.696,484 29.453,485 1.052,486 33.1,487 0.552,488 20.66,489 0.738,490 5.333,491 0.19,492 8.154,493 0.291,494 0.14,495 0.038,496 0.282,501 0.855,502 1.76,503 0.902,504 1.418,505 0.631,506 1.196,507 1.065,508 0.949,509 0.964,510 0.834,511 0.54,512 0.857,513 1,514 1.244,515 1.091,516 1.166,517 0.735,518 1.144,519 0.859,520 0.968,521 1.045,522 1.038,523 0.783,524 1.055,525 0.868,526 1.172,527 1.043,528 1.23,529 1.139,530 1.182,531 1.087,532 0.715,533 0.818,534 0.72,535 1.187,536 0.736,537 1.28,538 1.03,539 0.93,540 1.01,541 1.499,542 0.937,543 2.444,544 0.952,545 1.333,546 0.897,547 3.87,548 0.955,549 6,550 0.09,551 3.778,552 3.333,553 1.397,554 0.681,555 0.572,556 0.356,557 0.279,558 0.156,559 11094,560 23133,561 2.085,562 53.3,563 3,564 23,565 1,567 1,569 2,570 2,572 1.703,573 1.942,574 3.546,575 -0.323,577 1,582 89.42,583 1.49,584 3.178,585 4.57,586 5.102,587 5.169,588 5.169,589 3.017,590 4.593,591 4.777,592 3.774,593 1426.75,594 8.269,595 19580.7,597 1,600 354.413,601 1.572,602 4.728,603 0.194,604 0.005,605 0.084,606 0.072,607 0.036,608 0.023,609 0.022,610 0.014,611 0.012,612 0.007,613 0.468,614 0.5,615 1,616 0.573,617 143.083,618 -0.003,619 -0.382,620 0.092,621 -0.172,622 -0.011,623 -0.046,624 0.067,625 0.253,626 0.071,627 0.199,628 0.169,629 0.15,630 -0.085,631 -0.107,632 -0.108,633 -0.083,634 -0.028,635 -0.099,636 -0.072,637 0.056,638 -0.086,639 -0.036,640 0.01,641 -0.054,642 0.004,643 -0.224,644 -0.088,645 -0.216,646 -0.06,647 -0.175,648 0.061,649 0.096,650 0.177,651 0.166,652 -0.027,653 0.183,654 0.074,655 -0.073,656 0.106,657 -0.05,658 0.036,659 0.019,660 -0.314,661 0.024,662 -0.183,663 0.016,664 -0.385,665 -0.06,666 2.043,667 5.202,668 0.643,669 29.092,670 0.996,671 1.141,672 1.751,673 3.065,674 0.617,675 3.466,676 3.829,677 4.143,678 4.466,679 4.654,680 4.71,681 4.89,682 4.949,683 4.92,684 4.92,685 7.404,686 0.577,687 388.57,688 3.466,689 5.03,690 5.905,691 6.819,692 7.721,693 8.649,694 9.569,695 10.508,696 11.441,697 12.388,698 6.7,701 2,704 1,705 1,715 3,720 3,722 6,736 1,737 1,741 60,743 7,744 1,745 31,747 63,748 21,749 6,750 3,751 3,756 4,757 7,763 1,764 1,766 1,767 1,770 2,772 7,773 14,777 1,782 1,786 1,790 1,793 32,794 7,795 1,796 7,802 4,808 0.5,809 3,825 1,828 2,829 2,831 1,832 1,835 1,855 2,858 1,859 2,864 3,868 28,876 9,877 1,878 2,880 1,881 3,882 1,893 5,896 1,897 1,898 1,901 14.417,902 11.433,903 6.069,904 3.74,907 1.257,908 1.163,909 0.941,910 5.835,911 8.956,912 3.584,913 4.069,914 4.535,915 5.046,916 5.498,917 5.731,918 6.092,919 6.329,920 6.383,921 6.399,922 1,923 46,924 10.437,926 4.432,927 0.026,929 7.545,931 20.651,933 17.536,936 2.045,937 57.25,941 364.904,942 96.777,943 27.384,945 47.145,948 96.777,949 412.049,950 27.384,951 25.618,952 42.793,953 28.429,954 36.145,955 31.559,956 18.534,957 353.133,959 364.904,960 124.161,961 47.145,964 317.82,965 83.229,966 11,968 57.867,969 66.294,972 364.904,973 74.528,974 96.777,977 364.904,978 42.731,979 63.42,980 18.011,981 47.145,982 364.904,983 74.528,984 96.777,986 0.588,987 0.35,988 0.195,989 0.101,990 23,991 10,992 0.095,993 6,994 2,995 1.222,996 4.045,997 242.222,998 0.222,999 18,1000 130.606,1005 19.956,1006 8.187,1007 3.911,1009 74.528,1010 6.027,1015 3.133,1017 18.011,1018 536.21,1019 35,1024 12.202,1028 -0.376,1031 59.76,1032 68.434,1034 0.252,1035 0.538,1036 0.774,1037 0.864,1038 0.875,1039 0.875,1040 4.887,1041 1.478,1042 5.932,1043 4.38,1044 4.511,1045 4.754,1046 2.654,1047 6.849,1048 4.401,1049 6.06,1050 1.259,1051 7.561,1052 3.305,1053 4.29,1054 4.62,1055 1.961,1056 8.207,1057 4.165,1058 7.379,1059 1.133,1060 9.315,1061 3.06,1062 6.229,1063 6.764,1064 3.576,1065 11.383,1066 6.045,1067 8.737,1068 1,1069 11.153,1070 2.692,1071 6.889,1072 7.465,1073 3.621,1074 13.68,1075 6.715,1076 10.141,1077 0.731,1078 13.051,1079 2.136,1080 8.359,1081 9.165,1082 4.921,1083 16.509,1084 8.146,1085 11.577,1086 0.407,1087 14.993,1088 1.823,1089 9.412,1090 10.243,1091 5.294,1092 19.114,1093 9.209,1094 13.041,1095 -0.076,1096 16.968,1097 0.923,1098 10.749,1099 11.786,1100 6.39,1101 21.866,1102 10.522,1103 3.737,1104 -0.299,1105 18.969,1106 -0.196,1107 11.965,1108 13.044,1109 6.931,1110 24.56,1111 11.736,1112 2.69,1113 15.306,1114 20.989,1115 -0.742,1116 13.274,1117 14.527,1118 7.902,1119 27.295,1120 13.027,1121 2.524,1122 8.828,1123 23.024,1124 4.206,1125 14.552,1126 15.872,1127 8.539,1128 30.013,1129 14.294,1130 2.459,1131 8.458,1132 25.07,1133 3.318,1134 15.861,1135 17.328,1136 9.436,1137 32.743,1138 15.584,1139 2.371,1140 7.188,1141 27.124,1142 2.886,1143 17.163,1144 18.717,1145 10.13,1146 35.468,1147 16.87,1148 2.028,1149 6.965,1150 29.184,1151 2.606,1152 18.475,1153 20.162,1154 10.981,1155 38.197,1156 18.163,1157 1.6,1158 5.474,1159 31.25,1160 2.518,1161 19.786,1162 21.574,1163 11.71,1164 40.924,1165 19.455,1166 10446,1167 15201,1168 20.572,1169 37.046,1170 47.074,1171 48.241,1172 48.914,1173 46.842,1174 46.834,1175 52.407,1176 11.742,1177 141.076,1178 44.169,1179 5.832,1180 5.973,1181 7.808,1182 5.817,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 13.525,1189 1.519,1190 1.556,1191 1.578,1192 1.511,1193 1.511,1194 1.691,1195 0.379,1196 4.551,1197 1.425,1198 4.092,1199 4.13,1200 4.038,1201 3.995,1202 7.435,1203 4,1204 3.83,1205 3.896,1206 3.708,1207 3.62,1208 4.835,1209 3.631,1210 3.711,1211 3.752,1212 3.629,1213 3.564,1214 4.627,1215 3.568,1216 3.588,1217 3.652,1218 3.468,1219 3.371,1220 4.451,1221 3.38,1222 3.341,1223 3.408,1224 3.213,1225 3.09,1226 4.217,1227 3.11,1228 3.264,1229 3.352,1230 3.087,1231 3.044,1232 4.085,1233 3.036,1234 3.215,1235 3.287,1236 3.031,1237 2.949,1238 3.91,1239 2.976,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.879,1245 2.91,1246 0.156,1247 0.128,1248 0.258,1249 0.152,1250 0.121,1251 4.832,1252 0.136,1253 3.973,1254 0.071,1255 8.006,1256 0.494,1257 4.714,1258 0.118,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.903,1265 1.884,1266 2.005,1267 2.007,1268 1.31,1269 2.005,1270 1.762,1271 1.697,1272 1.983,1273 1.986,1274 1.297,1275 1.988,1276 1.633,1277 1.578,1278 1.833,1279 1.836,1280 1.091,1281 1.837,1282 1.551,1283 1.484,1284 1.806,1285 1.806,1286 1.057,1287 1.806,1288 1.528,1289 1.449,1290 1.786,1291 1.745,1292 1.012,1293 1.768,1294 1.241,1295 1.174,1296 1.58,1297 1.531,1298 0.825,1299 1.538,1300 1.153,1301 1.064,1302 1.513,1303 1.436,1304 0.644,1305 1.433,1306 1.126,1307 1.06,1308 1.453,1309 1.376,1310 0.563,1311 1.429,1312 4.143,1314 5.493,1315 3.045,1316 7.041,1317 5.638,1318 8.691,1319 7.921,1320 10.405,1322 6.65,1328 8.262,1329 2.872,1330 10.922,1332 0.367,1333 7.114,1334 0.076,1340 34.605,1341 89.42,1342 190.688,1343 274.175,1344 306.149,1345 310.149,1346 310.149,1347 45.094,1348 7.698,1349 57.28,1350 57.28,1351 22,1352 12.883,1353 3,1354 2.322,1355 42.906,1356 124,1357 132,1358 0.166,1359 210.092,1360 371.33,1361 504.385,1362 24943,1364 19.725,1365 0.704,1366 0.616,1367 19.725,1368 17.24,1369 13.487,1370 0.435,1371 0.333,1372 10.125,1373 12.774,1374 9.815,1375 8.087,1376 13.487,1377 10.323,1378 12.485,1379 0.277,1380 0.187,1381 12.485,1382 8.435,1383 10.634,1384 0.172,1385 0.105,1386 10.634,1387 6.536,1388 9.324,1389 0.108,1390 0.059,1391 9.324,1392 5.08,1393 7.193,1394 0.069,1395 0.032,1396 7.193,1397 3.373,1398 0.269,1399 85.664,1400 0.22,1401 27.264,1402 0.434,1403 152,1404 402.475,1405 169.986,1406 374.758,1407 513.89,1408 354,1409 183,1410 376.278,1411 201.575,1412 377.943,1413 560.93,1414 353,1415 5.42}
{0 CHEMBL659,1 1.428,2 6.476,3 1.443,4 2.081,5 82.305,6 6.843,7 0.25,8 3.854,9 3.961,10 3.366,11 3.365,12 4.833,13 3.343,14 4.469,15 4.637,16 3.793,17 3.837,18 5.379,19 3.803,20 4.783,21 4.953,22 4.001,23 4.121,24 5.706,25 4.052,26 4.985,27 5.206,28 3.956,29 4.179,30 5.83,31 4.068,32 4.922,33 5.161,34 3.746,35 4.041,36 5.733,37 3.91,38 4.756,39 5.003,40 3.417,41 3.794,42 5.585,43 3.634,44 4.564,45 4.848,46 2.984,47 3.425,48 5.462,49 3.223,50 4.258,51 4.61,52 2.066,53 2.903,54 4.984,55 2.608,56 0.025,57 0.58,58 9.922,59 4.321,60 9.195,61 5.622,62 0.197,63 1.006,64 19.599,65 7.305,66 19.794,67 9.762,68 0.288,69 1.348,70 26.749,71 10.709,72 32.371,73 14.289,74 0.375,75 1.555,76 33.701,77 12.713,78 43.553,79 17.591,80 0.392,81 1.421,82 32.197,83 11.462,84 34.246,85 16.058,86 0.338,87 1.159,88 27.471,89 9.577,90 34.17,91 13.472,92 0.446,93 0.88,94 23.5,95 7.489,96 44.381,97 10.822,98 0.305,99 0.6,100 17.868,101 5.081,102 33.076,103 7.781,104 11,105 37,106 0.254,107 0.604,108 0.852,109 0.886,110 0.886,111 0.886,112 3.108,113 0.946,114 -3.16,115 -3.15,116 -3.03,121 40.5,123 2,125 1,126 2,127 2,129 2,137 2,144 2,145 2,146 2,176 7,180 6,185 2,187 9,191 1,192 9,197 1,200 9,206 6,209 1,211 1,214 5,218 1,219 5,224 2,227 5,231 1,232 1,237 1,239 1,247 2,249 2,281 440,282 14.281,283 14.281,284 14.281,285 14.281,286 14.281,287 13.437,288 24.237,289 7.995,290 14.697,291 11.757,292 11.757,293 11.757,294 11.757,295 11.757,296 10.293,297 36.322,298 3.676,299 12.357,300 3.964,301 2,302 0.607,303 0.417,304 0.417,305 0.417,306 3.804,310 1,311 1,312 1,313 299,314 2.739,317 20.81,318 60.139,319 33.487,321 85.364,322 46.668,323 54.866,324 60.14,325 0.834,326 19.156,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 45.5,338 136,339 4.868,340 4.066,341 8.074,342 4.712,343 3.728,344 4.353,345 0.916,346 15.709,347 3.671,348 4.091,349 3.097,350 6.48,351 3.774,352 2.807,353 3.403,354 0.86,355 9.863,356 2.715,357 3.679,358 2.911,359 5.813,360 3.438,361 2.503,362 2.942,363 0.86,364 7.821,365 2.333,366 3.348,367 2.735,368 5.255,369 3.216,370 2.266,371 2.419,372 0.765,373 6.396,374 2.148,375 3.185,376 2.37,377 5.048,378 2.988,379 2.046,380 2.228,381 0.68,382 5.821,383 1.917,384 2.939,385 2.28,386 4.85,387 2.649,388 1.731,389 2.012,390 0.172,391 5.061,392 1.58,393 2.796,394 1.759,395 4.615,396 2.453,397 1.485,398 1.81,400 4.364,401 1.431,402 2.123,403 1.165,404 3.789,405 1.74,406 0.768,407 0.927,409 1.883,410 0.743,411 1.875,412 1.009,413 3.625,414 1.626,415 0.732,416 0.817,418 1.534,419 0.647,420 1.464,421 0.667,422 3.084,423 1.285,424 0.343,425 0.375,427 0.757,428 0.32,429 1.11,430 0.363,431 2.852,432 0.884,433 -0.054,434 -0.061,436 -0.114,437 -0.051,438 0.956,439 0.176,440 2.815,441 0.697,442 -0.219,443 -0.244,445 -0.529,446 -0.199,447 0.537,448 -0.209,449 2.74,450 0.307,451 -0.639,452 -0.688,454 -1.815,455 -0.589,456 0.388,457 -0.409,458 2.295,459 0.115,460 -0.824,461 -0.944,463 -2.155,464 -0.769,466 -0.573,467 2.258,468 -0.067,469 -1,470 -1,472 -2.814,473 -0.928,474 9.9,475 0.471,476 0.621,477 0.03,478 22,479 1.048,480 8,481 0.381,482 14,483 0.667,484 20.744,485 0.988,486 23.7,487 0.564,488 15.021,489 0.715,490 4.15,491 0.198,492 5.987,493 0.285,494 0.135,495 0.051,496 0.343,501 0.903,502 1.328,503 0.847,504 1.174,505 0.961,506 1.027,507 1.208,508 0.877,509 0.907,510 0.833,511 0.884,512 0.807,513 0.925,514 1.128,515 0.983,516 1.111,517 0.91,518 1.065,519 0.85,520 1.113,521 0.977,522 1.097,523 0.723,524 1.066,525 1.018,526 1.066,527 1.079,528 1.069,529 0.771,530 1.083,531 1.05,532 1.143,533 1.176,534 1.193,535 1.028,536 1.205,537 1.028,538 0.992,539 1.084,540 1.031,541 1.199,542 1.067,543 1.132,544 0.608,545 0.953,546 0.655,547 1.388,548 0.751,549 5.5,551 3.333,552 2.514,553 2.012,554 0.973,555 0.505,556 0.285,559 3573,560 8114,561 2.143,562 50,564 16,567 1,569 2,570 2,572 1.645,573 1.984,574 2.69,575 -0.338,576 1,577 1,579 1,582 59.997,583 1.428,584 3.392,585 4.785,586 4.975,587 4.975,588 4.975,589 1.904,590 4.107,591 4.364,592 2.768,593 581.283,594 7.543,595 5777.72,596 1,597 1,599 1,600 226.477,601 1.648,602 4.308,603 0.229,605 0.09,606 0.057,607 0.05,608 0.031,609 0.025,610 0.026,613 0.509,614 0.83,615 1,616 0.819,617 89.674,618 -0.037,619 -0.125,620 0.075,621 -0.033,622 -0.1,623 0.027,624 -0.146,625 0.262,626 0.068,627 0.205,628 -0.038,629 0.185,630 0.015,631 -0.045,632 -0.035,633 -0.044,634 -0.017,635 -0.047,636 0.032,637 -0.113,638 -0.023,639 -0.084,640 0.024,641 -0.067,642 -0.062,643 -0.085,644 -0.108,645 -0.092,646 -0.044,647 -0.108,648 -0.055,649 -0.193,650 -0.198,651 -0.236,652 -0.076,653 -0.241,654 0.089,655 -0.126,656 -0.074,657 -0.131,658 0.1,659 -0.132,660 -0.095,661 0.186,662 0.072,663 0.168,664 -0.025,665 0.154,666 1.745,667 3.973,668 0.81,669 11.66,670 0.998,671 1.126,672 1.931,673 3.729,674 0.642,675 3.219,676 3.638,677 4.025,678 4.419,679 4.779,680 5.011,681 5.17,682 5.308,683 5.303,684 5.323,685 4.044,686 0.606,687 287.39,688 3.219,689 4.812,690 5.727,691 6.678,692 7.624,693 8.586,694 9.543,695 10.509,696 11.471,697 12.438,698 2.4,701 1,715 2,720 4,722 6,739 2,741 42,743 7,744 1,745 24,747 45,748 17,749 6,750 4,751 2,756 4,757 12,764 1,766 1,767 4,770 4,772 8,773 9,777 1,784 2,789 1,790 1,793 21,794 4,795 1,796 4,802 1,808 0.25,809 3,811 1,828 1,829 2,830 1,832 2,833 1,834 1,835 1,849 2,855 1,857 1,859 1,864 2,868 21,875 1,876 4,878 2,880 2,881 1,882 1,893 7.1,894 1,898 2,901 10.583,902 7.983,903 4.5,904 2.522,907 1.597,908 1.21,909 0.934,910 2.982,911 9.185,912 3.367,913 3.942,914 4.541,915 5.129,916 5.685,917 6.024,918 6.348,919 6.658,920 6.799,921 6.999,922 0.6,923 44,924 7.835,926 3.49,927 0.026,929 7.575,931 15.418,933 13.729,936 2.075,937 43.583,938 0.001,941 235.422,942 83.323,943 3.124,945 64.683,948 83.323,949 300.105,950 3.124,951 19.279,952 9.28,953 80.588,955 41.982,957 235.422,959 235.422,960 86.447,961 64.683,964 188.338,965 69.084,966 42.683,968 12.405,969 55.09,970 18.952,972 235.422,973 67.807,974 83.323,977 235.422,978 26.138,979 60.309,981 64.683,982 235.422,983 67.807,984 83.323,986 0.598,987 0.37,988 0.218,989 0.137,990 22,991 9,992 0.022,993 1,994 4,995 1.412,996 3.117,997 188.024,998 0.471,999 16,1000 92.239,1005 13.467,1006 4.65,1007 1.834,1009 67.807,1010 4.157,1015 4.276,1017 42.683,1018 386.552,1019 28,1026 4.114,1031 41.92,1032 47.279,1034 0.265,1035 0.629,1036 0.887,1037 0.923,1038 0.923,1039 0.923,1040 4.696,1041 0.768,1042 5.784,1043 4.364,1044 4.317,1045 4.625,1046 2.022,1047 6.767,1048 4.231,1049 5.914,1050 0.732,1051 7.453,1052 1.883,1053 4.205,1054 4.575,1055 0.325,1056 8.255,1057 4.104,1058 7.267,1059 0.343,1060 9.242,1061 1.534,1062 6.111,1063 6.771,1064 1.659,1065 11.437,1066 5.982,1067 8.66,1068 -0.054,1069 11.11,1070 0.757,1071 6.836,1072 7.55,1073 0.393,1074 13.812,1075 6.708,1076 10.094,1077 -0.219,1078 13.035,1079 -0.114,1080 8.297,1081 9.287,1082 1.366,1083 16.654,1084 8.151,1085 11.558,1086 -0.639,1087 15.001,1088 -0.529,1089 9.381,1090 10.44,1091 0.384,1092 19.304,1093 9.236,1094 13.047,1095 -0.824,1096 16.997,1097 -1.815,1098 10.716,1099 12.011,1100 1.122,1101 22.074,1102 10.559,1103 3.728,1104 -1,1105 19.017,1106 -2.155,1107 11.943,1108 13.333,1109 0.351,1110 24.799,1111 11.78,1112 2.807,1113 15.709,1114 21.054,1115 -2.814,1116 13.251,1117 14.841,1118 0.919,1119 27.556,1120 13.077,1121 2.503,1122 9.863,1123 23.104,1124 4.353,1125 14.53,1126 16.241,1127 0.312,1128 30.301,1129 14.347,1130 2.266,1131 7.821,1132 25.163,1133 3.403,1134 15.837,1135 17.724,1136 0.75,1137 33.055,1138 15.641,1139 2.046,1140 6.396,1141 27.23,1142 2.942,1143 17.137,1144 19.16,1145 0.273,1146 35.807,1147 16.929,1148 1.731,1149 5.821,1150 29.301,1151 2.419,1152 18.446,1153 20.635,1154 0.61,1155 38.561,1156 18.225,1157 1.485,1158 5.061,1159 31.377,1160 2.228,1161 19.755,1162 22.088,1163 0.236,1164 41.314,1165 19.519,1166 3474,1167 5291,1168 16.008,1169 26.983,1170 37.402,1171 37.309,1172 39.603,1173 36.847,1174 36.816,1175 42.574,1176 8.507,1177 118.419,1178 35.009,1179 5.829,1180 6.066,1181 7.616,1182 5.8,1183 5.728,1184 7.353,1185 1.776,1186 24.188,1187 5.671,1188 9.531,1189 1.558,1190 1.555,1191 1.65,1192 1.535,1193 1.534,1194 1.774,1195 0.354,1196 4.934,1197 1.459,1198 4.102,1199 4.121,1200 4.055,1201 4.02,1202 6.451,1203 4.026,1204 3.728,1205 3.762,1206 3.641,1207 3.632,1208 4.939,1209 3.629,1210 3.593,1211 3.66,1212 3.468,1213 3.387,1214 4.538,1215 3.395,1216 3.262,1217 3.321,1218 3.128,1219 3.086,1220 4.316,1221 3.087,1222 3.24,1223 3.307,1224 3.059,1225 2.973,1226 4.201,1227 2.98,1228 3.098,1229 3.155,1230 2.936,1231 2.925,1232 4.078,1233 2.917,1234 2.915,1235 2.996,1236 2.704,1237 2.743,1238 3.608,1239 2.723,1240 2.882,1241 2.974,1242 2.632,1243 2.69,1244 3.452,1245 2.662,1246 0.203,1247 0.169,1248 0.336,1249 0.196,1250 0.155,1251 4.868,1252 0.181,1253 4.066,1254 0.038,1255 8.074,1256 0.655,1257 4.712,1258 0.153,1259 3.728,1260 4.353,1261 0.916,1262 15.709,1263 3.671,1264 1.944,1265 1.926,1266 2.051,1267 2.019,1268 1.425,1269 2.03,1270 1.815,1271 1.784,1272 1.958,1273 1.968,1274 1.187,1275 1.967,1276 1.565,1277 1.495,1278 1.799,1279 1.798,1280 1.065,1281 1.8,1282 1.281,1283 1.228,1284 1.591,1285 1.544,1286 0.714,1287 1.559,1288 1.142,1289 1.052,1290 1.52,1291 1.414,1292 0.572,1293 1.451,1294 1.091,1295 1.038,1296 1.364,1297 1.307,1298 0.512,1299 1.323,1300 0.935,1301 0.836,1302 1.31,1303 1.184,1304 0.463,1305 1.233,1306 0.799,1307 0.739,1308 1.114,1309 1.075,1310 0.405,1311 1.089,1312 3.892,1314 5.283,1315 2.398,1316 6.887,1317 5.043,1318 8.597,1319 7.413,1320 10.369,1322 3.843,1327 9.973,1328 3.624,1330 11.755,1332 -0.403,1333 2.352,1334 -0.108,1340 25.434,1341 59.997,1342 142.477,1343 200.968,1344 208.968,1345 208.968,1346 208.968,1347 32.03,1348 7.588,1349 41.93,1350 41.93,1351 24,1352 12.917,1353 3,1354 2.322,1355 27.586,1356 52,1357 52,1358 0.287,1359 151.34,1360 269.13,1361 361.03,1362 17777,1364 14.613,1365 0.696,1366 0.595,1367 14.613,1368 12.503,1369 10.137,1370 0.422,1371 0.315,1372 7.443,1373 9.691,1374 7.22,1375 5.914,1376 10.137,1377 7.568,1378 9.62,1379 0.26,1380 0.174,1381 9.62,1382 6.428,1383 8.638,1384 0.157,1385 0.094,1386 8.638,1387 5.147,1388 7.772,1389 0.095,1390 0.05,1391 7.772,1392 4.077,1393 7.088,1394 0.06,1395 0.028,1396 7.088,1397 3.303,1398 0.411,1399 64.028,1400 0.25,1401 19.575,1402 0.933,1403 122,1404 309.266,1405 132.938,1406 289.168,1407 402.52,1408 274,1409 153,1410 297.942,1411 165.408,1412 301.999,1413 454.94,1414 283,1415 5.68}
{0 CHEMBL66309,1 1.424,2 15.938,3 4.188,4 17.538,5 128.802,6 6.176,7 0.171,8 4.347,9 4.488,10 3.758,11 3.789,12 5.23,13 3.747,14 4.985,15 5.204,16 4.121,17 4.231,18 5.83,19 4.157,20 5.262,21 5.505,22 4.172,23 4.444,24 6.011,25 4.318,26 5.394,27 5.678,28 4.066,29 4.473,30 6.116,31 4.305,32 5.341,33 5.626,34 3.906,35 4.358,36 6.098,37 4.167,38 5.244,39 5.558,40 3.747,41 4.15,42 5.945,43 3.964,44 4.957,45 5.226,46 3.707,47 3.959,48 5.792,49 3.825,50 4.889,51 5.148,52 3.641,53 3.891,54 5.809,55 3.771,56 0.063,57 1.033,58 18.384,59 6.72,60 9.2,61 10.01,62 0.577,63 1.68,64 35.128,65 10.996,66 40.321,67 16.969,68 0.451,69 2.081,70 45.04,71 15.171,72 34.677,73 23.142,74 0.493,75 2.183,76 50.629,77 16.674,78 46.291,79 25.805,80 0.491,81 1.937,82 47.868,83 16.071,84 52.091,85 24.389,86 0.579,87 1.592,88 43.432,89 13.453,90 48.308,91 20.677,92 0.462,93 1.305,94 33.361,95 10.189,96 38.977,97 15.497,98 0.571,99 1.229,100 31.76,101 9.03,102 49.703,103 13.802,104 17,105 49,106 0.226,107 0.475,108 0.71,109 0.821,110 0.855,111 0.864,112 3.501,113 1.056,114 -3.83,115 -3.79,116 -3.6,121 34.7,122 1,123 6,125 1,126 2,127 7,130 1,144 3,145 1,146 2,161 1,176 9,179 2,180 8,183 2,185 1,187 9,191 1,192 9,197 1,200 7,206 8,211 3,214 4,218 1,219 9,224 3,227 2,231 1,232 5,237 2,239 2,243 1,244 5,247 1,249 2,251 4,255 1,256 3,259 2,264 5,269 2,277 7,281 1956,282 21.636,283 21.636,284 21.636,285 21.636,286 21.636,287 20.821,288 32.09,289 13.025,290 22.282,291 17.283,292 17.283,293 17.283,294 17.283,295 17.283,296 15.916,297 42.083,298 6.237,299 18.273,300 4.746,301 3.177,302 1.695,303 0.997,304 0.781,305 0.726,306 4.196,312 1,313 1115,314 4.301,317 148.716,318 211.33,320 119.76,321 127.57,324 177.467,325 2.449,326 23.552,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 69,338 510,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 3.983,349 3.663,350 6.211,351 3.64,352 2.69,353 3.318,354 0.966,355 8.828,356 2.559,357 3.683,358 2.885,359 6.169,360 3.439,361 2.522,362 2.886,363 0.86,364 8.458,365 2.31,366 3.522,367 2.821,368 5.451,369 3.402,370 2.461,371 2.604,372 0.8,373 7.187,374 2.297,375 3.476,376 2.742,377 5.34,378 3.307,379 2.373,380 2.522,381 0.693,382 6.965,383 2.203,384 3.307,385 2.506,386 4.864,387 2.999,388 2.041,389 2.424,390 0.366,391 5.477,392 1.943,393 2.852,394 2.176,395 4.696,396 2.819,397 1.828,398 1.852,400 4.381,401 1.805,402 2.619,403 1.894,404 4.214,405 2.495,406 1.563,407 1.632,409 3.712,410 1.458,411 2.572,412 1.746,413 3.872,414 2.415,415 1.476,416 1.57,418 3.216,419 1.382,420 2.518,421 1.575,422 3.724,423 2.24,424 1.311,425 1.522,427 3.06,428 1.198,429 2.344,430 1.256,431 3.654,432 2.127,433 1.133,434 1.335,436 2.741,437 1.126,438 2,439 1.171,440 3.427,441 1.952,442 1,443 1,445 2.136,446 0.946,447 1.868,448 1.089,449 3.247,450 1.793,451 0.833,452 0.849,454 1.859,455 0.794,456 1.782,457 0.925,458 3.09,459 1.69,460 0.723,461 0.754,463 1.701,464 0.697,465 1.297,466 0.709,467 3.064,468 1.215,469 0.263,470 0.268,472 0.581,473 0.249,474 15.1,475 0.472,476 0.771,477 0.024,478 30,479 0.938,480 8.5,481 0.266,482 21.5,483 0.672,484 36.928,485 1.154,486 38.3,487 0.532,488 21.433,489 0.67,490 5.333,491 0.167,492 10.154,493 0.317,494 0.121,495 0.033,496 0.245,501 0.854,502 1.726,503 0.967,504 1.429,505 0.635,506 1.238,507 1.05,508 1.03,509 1.022,510 0.946,511 0.542,512 0.96,513 0.961,514 1.201,515 1.059,516 1.133,517 0.711,518 1.112,519 0.865,520 1.008,521 1.028,522 1.037,523 0.781,524 1.043,525 0.884,526 1.106,527 1.033,528 1.158,529 1.128,530 1.127,531 1.102,532 0.791,533 0.845,534 0.804,535 1.162,536 0.8,537 1.33,538 1.02,539 1.001,540 1.002,541 1.549,542 0.974,543 1.751,544 0.86,545 1.185,546 0.893,547 2.619,548 0.961,549 6,550 0.147,551 3.778,552 3.333,553 1.397,554 0.736,555 0.532,556 0.356,557 0.258,558 0.141,559 17914,560 34593,561 2.074,562 55.6,563 9,564 23,565 1,567 1,569 6,572 1.734,573 1.949,574 3.857,575 -0.372,582 102.506,583 1.424,584 2.993,585 4.475,586 5.173,587 5.388,588 5.444,589 3.308,590 4.625,591 4.97,592 4.117,593 2041.79,594 8.63,595 33295.3,600 444.235,601 1.478,602 4.929,603 0.171,604 0.007,605 0.077,606 0.067,607 0.032,608 0.022,609 0.018,610 0.012,611 0.01,612 0.006,613 0.421,614 0.5,615 1,616 0.531,617 174.872,618 0.017,619 -0.328,620 0.086,621 -0.145,622 0.006,623 -0.039,624 0.094,625 0.179,626 0.039,627 0.119,628 0.178,629 0.081,630 -0.048,631 -0.09,632 -0.059,633 -0.059,634 -0.001,635 -0.062,636 -0.068,637 0.013,638 -0.061,639 -0.035,640 0.023,641 -0.041,642 0.003,643 -0.148,644 -0.072,645 -0.154,646 -0.044,647 -0.127,649 0.053,650 0.128,651 0.111,652 -0.035,653 0.132,654 -0.013,655 -0.068,656 0.024,657 -0.033,658 -0.016,659 -0.008,660 -0.141,661 0.124,662 -0.109,663 0.041,664 -0.191,665 -0.025,666 2.02,667 5.279,668 0.563,669 41.273,670 0.99,671 1.14,672 2.603,673 6.777,674 0.612,675 3.584,676 3.912,677 4.205,678 4.511,679 4.691,680 4.745,681 4.913,682 4.97,683 4.934,684 4.927,685 9.316,686 0.565,687 444.69,688 3.584,689 5.13,690 5.989,691 6.887,692 7.776,693 8.693,694 9.604,695 10.536,696 11.463,697 12.405,698 5.6,701 2,704 1,705 1,715 3,720 3,722 6,736 1,737 1,741 72,743 7,744 1,745 35,747 75,748 25,749 6,750 3,751 3,756 4,757 7,763 1,764 1,766 1,767 1,770 6,772 7,773 18,777 1,782 1,786 1,793 40,794 7,795 1,796 7,802 4,808 0.5,809 3,825 1,828 2,829 2,831 1,832 1,835 1,855 2,858 1,859 2,864 3,868 32,876 13,877 1,878 2,880 1,881 3,882 1,893 4.2,896 1,897 1,898 1,901 16.417,902 13.433,903 7.069,904 4.74,907 1.237,908 1.157,909 0.934,910 7.981,911 9.108,912 3.689,913 4.135,914 4.577,915 5.071,916 5.514,917 5.743,918 6.097,919 6.333,920 6.383,921 6.393,922 1,923 50,924 11.95,926 5.003,927 0.026,929 7.477,931 23.917,933 20.203,936 1.977,937 63.25,941 459.073,942 106.915,943 27.384,945 47.145,948 106.915,949 506.218,950 27.384,951 25.618,952 52.931,953 28.429,954 36.145,955 31.559,956 18.534,957 447.302,959 459.073,960 134.299,961 47.145,964 388.446,965 106.771,966 11,968 68.005,969 66.294,972 459.073,973 74.528,974 106.915,977 459.073,978 52.869,979 63.42,980 18.011,981 47.145,982 459.073,983 74.528,984 106.915,986 0.577,987 0.337,988 0.187,989 0.097,990 23,991 10,992 0.133,993 10,994 2,995 1.222,996 4.533,997 275.773,998 0.222,999 18,1000 156,1005 23.808,1006 10.727,1007 5.435,1009 74.528,1010 6.069,1015 3.163,1017 18.011,1018 640.517,1019 39,1024 12.279,1028 -0.353,1031 71.294,1032 82.095,1034 0.231,1035 0.485,1036 0.725,1037 0.838,1038 0.873,1039 0.882,1040 4.973,1041 1.563,1042 5.994,1043 4.381,1044 4.595,1045 4.82,1046 2.654,1047 6.882,1048 4.494,1049 6.123,1050 1.476,1051 7.601,1052 3.712,1053 4.29,1054 4.62,1055 1.961,1056 8.207,1057 4.165,1058 7.425,1059 1.311,1060 9.34,1061 3.216,1062 6.275,1063 6.792,1064 3.576,1065 11.387,1066 6.1,1067 8.769,1068 1.133,1069 11.167,1070 3.06,1071 6.889,1072 7.465,1073 3.621,1074 13.68,1075 6.715,1076 10.163,1077 1,1078 13.059,1079 2.741,1080 8.377,1081 9.173,1082 4.921,1083 16.509,1084 8.169,1085 11.592,1086 0.833,1087 14.997,1088 2.136,1089 9.412,1090 10.243,1091 5.294,1092 19.114,1093 9.209,1094 13.05,1095 0.723,1096 16.97,1097 1.859,1098 10.755,1099 11.788,1100 6.39,1101 21.866,1102 10.53,1103 3.737,1104 0.263,1105 18.97,1106 1.701,1107 11.965,1108 13.044,1109 6.931,1110 24.56,1111 11.736,1112 2.69,1113 15.306,1114 20.99,1115 0.581,1116 13.275,1117 14.527,1118 7.902,1119 27.295,1120 13.029,1121 2.522,1122 8.828,1123 23.024,1124 4.206,1125 14.552,1126 15.872,1127 8.539,1128 30.013,1129 14.294,1130 2.461,1131 8.458,1132 25.07,1133 3.318,1134 15.861,1135 17.328,1136 9.436,1137 32.743,1138 15.585,1139 2.373,1140 7.187,1141 27.124,1142 2.886,1143 17.163,1144 18.717,1145 10.13,1146 35.468,1147 16.87,1148 2.041,1149 6.965,1150 29.184,1151 2.604,1152 18.475,1153 20.163,1154 10.981,1155 38.197,1156 18.163,1157 1.828,1158 5.477,1159 31.25,1160 2.522,1161 19.786,1162 21.574,1163 11.71,1164 40.924,1165 19.455,1166 16842,1167 23549,1168 23.345,1169 44.091,1170 52.096,1171 53.231,1172 54.055,1173 51.95,1174 51.91,1175 57.484,1176 11.742,1177 151.217,1178 49.248,1179 5.832,1180 5.973,1181 7.896,1182 5.817,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 15.146,1189 1.488,1190 1.521,1191 1.544,1192 1.484,1193 1.483,1194 1.642,1195 0.335,1196 4.32,1197 1.407,1198 4.093,1199 4.131,1200 4.039,1201 3.996,1202 7.435,1203 4.001,1204 3.85,1205 3.915,1206 3.717,1207 3.682,1208 4.835,1209 3.676,1210 3.741,1211 3.799,1212 3.643,1213 3.567,1214 4.628,1215 3.573,1216 3.69,1217 3.739,1218 3.561,1219 3.535,1220 4.451,1221 3.536,1222 3.538,1223 3.603,1224 3.408,1225 3.336,1226 4.244,1227 3.336,1228 3.351,1229 3.415,1230 3.207,1231 3.103,1232 4.136,1233 3.126,1234 3.271,1235 3.361,1236 3.094,1237 3.047,1238 4.039,1239 3.042,1240 3.232,1241 3.323,1242 3.036,1243 3.013,1244 3.903,1245 3.011,1246 0.138,1247 0.114,1248 0.229,1249 0.135,1250 0.107,1251 4.832,1252 0.12,1253 3.973,1254 0.062,1255 8.006,1256 0.437,1257 4.714,1258 0.104,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.903,1265 1.884,1266 2.046,1267 2.011,1268 1.4,1269 2.02,1270 1.808,1271 1.745,1272 2.004,1273 1.995,1274 1.31,1275 1.995,1276 1.701,1277 1.637,1278 1.937,1279 1.914,1280 1.246,1281 1.93,1282 1.633,1283 1.577,1284 1.833,1285 1.836,1286 1.086,1287 1.837,1288 1.536,1289 1.459,1290 1.79,1291 1.767,1292 1.057,1293 1.78,1294 1.506,1295 1.435,1296 1.78,1297 1.731,1298 1.012,1299 1.75,1300 1.262,1301 1.202,1302 1.581,1303 1.549,1304 0.825,1305 1.55,1306 1.2,1307 1.107,1308 1.524,1309 1.466,1310 0.784,1311 1.496,1312 4.263,1314 5.587,1315 3.045,1316 7.109,1317 5.638,1318 8.737,1319 7.921,1320 10.435,1322 6.675,1328 13.803,1329 2.911,1330 10.996,1332 0.371,1333 7.257,1334 0.08,1340 40.712,1341 102.506,1342 215.488,1343 322.221,1344 372.46,1345 387.97,1346 391.97,1347 57.22,1348 7.871,1349 57.28,1350 57.28,1351 22,1352 12.903,1353 3,1354 2.322,1355 52.72,1356 180,1357 186,1358 0.138,1359 248.462,1360 440.53,1361 598.007,1362 34311,1364 22.554,1365 0.705,1366 0.627,1367 22.554,1368 20.068,1369 15.487,1370 0.442,1371 0.352,1372 12.125,1373 14.774,1374 11.775,1375 9.754,1376 15.487,1377 12.323,1378 13.9,1379 0.284,1380 0.201,1381 13.9,1382 9.85,1383 11.634,1384 0.176,1385 0.114,1386 11.634,1387 7.536,1388 10.031,1389 0.111,1390 0.064,1391 10.031,1392 5.768,1393 7.689,1394 0.071,1395 0.036,1396 7.689,1397 3.86,1398 0.23,1399 97.664,1400 0.207,1401 31.192,1402 0.341,1403 168,1404 418.475,1405 185.986,1406 391.405,1407 536.93,1408 370,1409 199,1410 392.278,1411 217.575,1412 394.59,1413 583.97,1414 369,1415 6.42}
{0 CHEMBL672,1 1.465,2 11.52,3 5.112,4 26.127,5 97.127,6 7.845,7 0.462,8 3.892,9 3.985,10 3.488,11 3.464,12 5.036,13 3.431,14 4.419,15 4.567,16 3.893,17 3.807,18 5.592,19 3.772,20 4.693,21 4.84,22 3.961,23 3.923,24 5.954,25 3.876,26 4.722,27 4.915,28 3.799,29 3.871,30 5.943,31 3.808,32 4.573,33 4.723,34 3.763,35 3.878,36 5.802,37 3.806,38 4.753,39 4.977,40 3.652,41 3.885,42 5.837,43 3.735,44 4.656,45 4.974,46 3.426,47 3.669,48 5.439,49 3.489,50 4.132,51 4.297,52 3.418,53 3.442,54 5.301,55 3.348,56 0.028,57 0.549,58 8.64,59 4.628,60 8.324,61 5.618,62 0.223,63 0.874,64 17.606,65 7.606,66 34.28,67 9.391,68 0.628,69 1.065,70 26.715,71 9.412,72 58.085,73 10.905,74 0.573,75 1.091,76 29,77 9.659,78 88.582,79 11.471,80 0.297,81 1.014,82 20.188,83 8.612,84 62.189,85 10.35,86 0.535,87 1.182,88 28.555,89 10.602,90 67.376,91 13.808,92 0.358,93 1.05,94 29.664,95 9.992,96 56.655,97 14.149,98 0.139,99 0.625,100 15.819,101 5.88,102 20.764,103 7.245,104 55,105 37,106 0.253,107 0.541,108 0.636,109 0.741,110 0.764,111 0.764,112 3.266,113 0.966,114 -5.5,115 -5.37,116 -5.02,121 43.5,122 4,129 1,132 1,144 8,145 2,146 2,159 1,160 1,176 8,179 1,180 8,187 13,191 2,192 10,200 10,206 7,214 13,219 6,227 16,231 1,232 6,239 7,244 4,251 6,256 4,264 8,268 2,269 2,277 6,281 857,282 15.817,283 15.817,284 15.817,285 15.817,286 15.817,287 14.172,288 13.582,289 9.13,290 16.187,291 12.766,292 12.766,293 12.766,294 12.766,295 12.766,296 10.235,297 13.637,298 4.319,299 13.396,300 4.058,301 2.394,302 1.848,303 1.24,304 1.109,305 1.109,306 3.92,308 1,311 1,312 1,313 584,314 4.359,318 192.129,325 1.898,326 32.222,329 0.75,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.89,337 54.333,338 288,339 4.465,340 4.141,341 7.267,342 4.325,343 3.374,344 3.941,345 2.513,346 12.273,347 3.196,348 4.333,349 3.582,350 6.393,351 3.996,352 2.978,353 3.642,354 0.965,355 9.675,356 3.029,357 3.927,358 3.034,359 5.439,360 3.469,361 2.51,362 3.475,363 0.257,364 7.081,365 2.409,366 3.671,367 2.908,368 5.225,369 3.234,370 2.313,371 3.052,373 6.424,374 2.104,375 3.293,376 2.547,377 4.926,378 3.099,379 2.176,380 2.534,382 5.643,383 1.987,384 3.185,385 2.34,386 4.834,387 2.813,388 1.868,389 2.226,391 5.438,392 1.696,393 2.664,394 2.023,395 4.171,396 2.296,397 1.295,398 1.585,400 3.257,401 1.267,402 2.5,403 1.854,404 3.674,405 2,406 1,407 1.5,409 2.275,410 1,411 2.5,412 1,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.492,421 1,422 3.414,423 1.932,424 0.901,425 1.335,427 2.258,428 0.897,429 1.24,430 0.623,431 3.034,432 0.9,433 -0.022,434 -0.026,436 -0.057,437 -0.019,438 1.114,439 0.472,440 2.488,441 0.598,442 -0.279,443 -0.361,445 -0.609,446 -0.197,447 0.821,448 0.387,449 2.371,450 0.481,451 -0.489,452 -0.572,454 -1.167,455 -0.464,456 0.5,457 -0.387,458 2,459 0.14,460 -0.834,461 -1,463 -2,464 -0.797,465 0.5,466 -0.642,467 2,469 -1,470 -1,472 -2.279,473 -0.972,474 12.048,475 0.482,476 0.9,477 0.036,478 30.25,479 1.21,480 15.5,481 0.62,482 14.75,483 0.59,484 22.09,485 0.884,486 27.552,487 0.599,488 23.307,489 0.932,490 5.895,491 0.236,492 5.791,493 0.232,494 0.281,495 0.042,496 0.291,501 0.662,502 1.184,503 0.647,504 1.066,505 0.615,506 0.982,507 0.778,508 1.064,509 0.612,510 0.943,511 0.549,512 0.844,513 1.455,514 1.015,515 1.078,516 0.988,517 0.968,518 1.001,519 1.586,520 0.788,521 0.991,522 0.781,523 1.799,524 0.83,525 1.205,526 1.206,527 0.896,528 1.113,529 1.583,530 1.166,531 0.792,532 1.133,533 0.863,534 1.094,535 0.652,536 1.168,537 0.497,538 0.631,539 0.479,540 0.574,541 0.471,542 0.585,543 0.991,544 1.287,545 1.22,546 1.282,547 0.845,548 1.206,549 7.5,550 0.128,551 3.778,552 2,553 1.684,554 0.618,555 0.566,556 0.432,557 0.243,558 0.232,559 6846,560 21718,561 1.897,562 45.7,564 9,569 12,572 1.676,573 1.714,574 3.475,575 -0.79,582 67.407,583 1.465,584 3.13,585 3.675,586 4.284,587 4.414,588 4.414,589 2.919,590 4.164,591 4.613,592 3.648,593 1094.5,594 7.955,595 13651.5,600 254.084,601 1.743,602 4.522,603 0.288,604 0.008,605 0.102,606 0.054,607 0.051,608 0.019,609 0.024,610 0.021,611 0.012,612 0.014,613 0.593,614 0.33,615 0.88,616 1.629,617 122.521,618 -0.009,619 -0.072,620 0.021,621 -0.055,622 -0.086,623 -0.013,624 0.12,625 -0.021,626 0.176,627 0.038,628 0.122,629 0.119,630 -0.072,631 -0.017,632 -0.131,633 -0.029,634 0.002,635 -0.088,636 -0.264,637 0.185,638 -0.083,639 0.158,640 -0.218,641 0.098,642 -0.186,643 -0.17,644 -0.196,645 -0.165,646 -0.222,647 -0.233,648 0.061,649 -0.156,650 -0.06,651 -0.148,652 0.046,653 -0.189,654 0.117,655 0.29,656 0.401,657 0.372,658 0.123,659 0.461,660 -0.075,661 -0.287,662 -0.131,663 -0.263,664 -0.015,665 -0.222,666 2.369,667 5.426,668 0.48,669 23.709,670 1.008,671 1.116,672 4.266,673 18.197,674 0.675,675 3.296,676 3.638,677 3.784,678 3.912,679 4.094,680 4.007,681 4.111,682 4.174,683 4.111,684 4.143,685 6.704,686 0.641,687 360.86,688 3.296,689 4.844,690 5.659,691 6.529,692 7.367,693 8.235,694 9.082,695 9.949,696 10.802,697 11.668,715 8,720 4,722 12,727 1,739 1,740 1,741 46,743 14,744 2,745 26,747 47,748 20,749 12,750 4,751 8,752 1,756 2,757 2,758 1,763 4,770 1,772 14,773 6,774 1,777 2,782 2,786 2,793 21,794 4,796 5,797 1,808 1,809 4,829 2,846 1,859 2,864 4,865 1,868 25,878 2,880 1,882 1,892 1,893 8.7,896 2,898 2,901 14.583,902 9.56,903 5.431,904 2.765,907 2.201,908 1.333,909 0.91,910 6.123,911 8.814,912 3.555,913 4.111,914 4.58,915 5.012,916 5.521,917 5.633,918 5.916,919 6.179,920 6.386,921 6.63,922 0.875,923 37,924 9.27,926 3.879,927 0.026,929 7.968,931 17.211,933 13.501,936 2.468,937 61.694,940 1,941 247.193,942 138.551,944 39.149,945 72.29,948 138.551,949 358.631,951 35.301,953 75.81,954 62.615,955 37.115,957 247.193,958 39.149,959 247.193,960 138.551,961 72.29,962 39.149,964 105.94,965 213.543,968 35.301,969 103.25,970 39.149,972 247.193,973 72.29,974 177.699,977 247.193,978 27.44,979 111.111,981 111.438,982 247.193,983 72.29,984 177.699,986 0.595,987 0.325,988 0.151,989 0.085,990 16,991 9,992 0.149,993 7,995 1,996 3.589,997 190.907,999 12,1000 104.096,1005 19.326,1006 7.92,1007 5.235,1009 72.29,1010 13.359,1015 2.144,1018 497.182,1019 34,1024 24.481,1028 -0.55,1031 46.353,1032 51.349,1034 0.265,1035 0.567,1036 0.665,1037 0.776,1038 0.799,1039 0.799,1040 4.804,1041 1,1042 5.707,1043 3.257,1044 4.317,1045 4.796,1046 2.617,1047 6.538,1048 4.235,1049 6.034,1050 1,1051 7.303,1052 2.275,1053 4.205,1054 4.691,1055 2.243,1056 7.763,1057 4.067,1058 7.355,1059 0.901,1060 9.012,1061 2.275,1062 5.999,1063 6.919,1064 4.012,1065 10.738,1066 5.849,1067 8.708,1068 -0.022,1069 10.791,1070 2.258,1071 6.635,1072 7.515,1073 4.378,1074 12.771,1075 6.445,1076 10.089,1077 -0.279,1078 12.615,1079 -0.057,1080 8.013,1081 9.307,1082 5.674,1083 15.388,1084 7.806,1085 11.49,1086 -0.489,1087 14.474,1088 -0.609,1089 8.964,1090 10.22,1091 6.347,1092 17.716,1093 8.719,1094 12.907,1095 -0.834,1096 16.357,1097 -1.167,1098 10.206,1099 11.818,1100 7.439,1101 20.24,1102 9.936,1103 3.374,1104 -1,1105 18.261,1106 -2,1107 11.294,1108 12.9,1109 8.245,1110 22.675,1111 10.981,1112 2.978,1113 12.273,1114 20.179,1115 -2.279,1116 12.495,1117 14.394,1118 9.246,1119 25.176,1120 12.148,1121 2.51,1122 9.675,1123 22.109,1124 3.941,1125 13.644,1126 15.576,1127 10.113,1128 27.651,1129 13.249,1130 2.313,1131 7.081,1132 24.049,1133 3.642,1134 14.837,1135 17.011,1136 11.073,1137 30.149,1138 14.4,1139 2.176,1140 6.424,1141 25.997,1142 3.475,1143 16.013,1144 18.255,1145 11.968,1146 32.64,1147 15.525,1148 1.868,1149 5.643,1150 27.95,1151 3.052,1152 17.207,1153 19.656,1154 12.908,1155 35.141,1156 16.671,1157 1.295,1158 5.438,1159 29.908,1160 2.534,1161 18.398,1162 20.94,1163 13.816,1164 37.639,1165 17.808,1166 7015,1167 12632,1168 16.008,1169 31.051,1170 39.906,1171 41.375,1172 40.966,1173 39.097,1174 38.828,1175 49.578,1176 7.471,1177 113.199,1178 37.17,1179 5.361,1180 6.141,1181 6.681,1182 5.401,1183 5.374,1184 6.941,1185 4.281,1186 19.506,1187 5.196,1188 16.971,1189 1.535,1190 1.591,1191 1.576,1192 1.504,1193 1.493,1194 1.907,1195 0.287,1196 4.354,1197 1.43,1198 3.999,1199 4.012,1200 4.023,1201 3.934,1202 7.433,1203 3.933,1204 3.844,1205 3.861,1206 3.862,1207 3.771,1208 7.426,1209 3.766,1210 3.732,1211 3.759,1212 3.665,1213 3.56,1214 4.935,1215 3.575,1216 3.545,1217 3.61,1218 3.426,1219 3.384,1220 4.833,1221 3.37,1222 3.209,1223 3.202,1224 3.346,1225 3.076,1226 4.513,1227 3.089,1228 2.941,1229 3.009,1230 2.954,1231 2.735,1232 4.335,1233 2.715,1234 2.874,1235 3.009,1236 2.796,1237 2.735,1238 4.254,1239 2.715,1240 2.874,1241 2.956,1242 2.687,1243 2.626,1244 3.769,1245 2.638,1246 0.172,1247 0.159,1248 0.279,1249 0.166,1250 0.13,1251 4.465,1252 0.152,1253 4.141,1254 0.097,1255 7.267,1256 0.472,1257 4.325,1258 0.123,1259 3.374,1260 3.941,1261 2.513,1262 12.273,1263 3.196,1264 1.956,1265 1.942,1266 2.039,1267 2.04,1268 1.139,1269 2.04,1270 1.824,1271 1.804,1272 1.936,1273 1.935,1274 1.074,1275 1.936,1276 1.672,1277 1.639,1278 1.896,1279 1.858,1280 1.03,1281 1.87,1282 1.553,1283 1.487,1284 1.831,1285 1.747,1286 0.981,1287 1.779,1288 1.116,1289 1.115,1290 1.417,1291 1.287,1292 0.469,1293 1.308,1294 0.934,1295 0.821,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 0.934,1301 0.821,1302 1.186,1303 1.239,1304 0.266,1305 1.255,1306 0.886,1307 0.804,1308 1.181,1309 1.159,1310 0.218,1311 1.107,1312 3.97,1314 5.303,1316 6.815,1318 8.4,1320 10.024,1322 6.852,1323 5.836,1330 10.905,1332 -0.213,1334 -1.119,1340 29.482,1341 67.407,1342 143.978,1343 169.064,1344 197.064,1345 203.064,1346 203.064,1347 67.951,1348 6.612,1349 52.6,1350 52.6,1351 12,1352 12.217,1353 3.907,1354 3.17,1355 51.979,1356 103,1357 95,1358 0.255,1359 188.729,1360 337.29,1361 452.259,1362 5704,1363 2.2,1364 18.613,1365 0.745,1366 0.619,1367 19.113,1368 15.463,1369 11.686,1370 0.449,1371 0.322,1372 7.937,1373 10.987,1374 7.533,1375 6.325,1376 11.975,1377 8.371,1378 11.383,1379 0.308,1380 0.185,1381 11.791,1382 6.863,1383 8.413,1384 0.196,1385 0.086,1386 8.702,1387 3.682,1388 6.086,1389 0.124,1390 0.046,1391 6.253,1392 2.261,1393 4.769,1394 0.081,1395 0.027,1396 4.983,1397 1.598,1398 0.407,1399 76.027,1400 0.25,1401 24.62,1402 0.68,1403 126,1404 415.146,1405 155.027,1406 421.782,1407 551.76,1408 390,1409 143,1410 373.772,1411 165.604,1412 384.816,1413 557.34,1414 360,1415 4.808}
{0 CHEMBL7002,1 1.527,2 10.913,3 4.638,4 21.513,5 91.334,6 7.25,7 0.24,8 3.904,9 4.014,10 3.495,11 3.496,12 4.892,13 3.426,14 4.504,15 4.668,16 3.924,17 3.934,18 5.469,19 3.829,20 4.82,21 5.029,22 3.834,23 4.049,24 5.727,25 3.903,26 4.916,27 5.195,28 3.614,29 3.941,30 5.809,31 3.754,32 4.663,33 4.938,34 3.57,35 3.801,36 5.501,37 3.633,38 4.453,39 4.666,40 3.498,41 3.703,42 5.474,43 3.577,44 4.42,45 4.651,46 3.313,47 3.579,48 5.39,49 3.433,50 4.298,51 4.58,52 3.077,53 3.376,54 5.148,55 3.184,56 0.017,57 0.63,58 10.733,59 5.031,60 5.122,61 6.307,62 0.229,63 1.085,64 23.249,65 9.049,66 26.778,67 11.483,68 0.22,69 1.36,70 32.115,71 12.144,72 35.788,73 15.477,74 0.511,75 1.364,76 35.048,77 12.201,78 78.981,79 16.354,80 0.259,81 1.114,82 28.593,83 10.213,84 38.001,85 13.35,86 0.197,87 0.948,88 21.752,89 8.05,90 34.284,91 10.341,92 0.195,93 0.882,94 20.214,95 7.43,96 34.166,97 9.988,98 0.292,99 0.746,100 18.45,101 6.817,102 34.292,103 9.35,104 10,105 35,106 0.267,107 0.567,108 0.734,109 0.796,110 0.817,111 0.817,112 3.187,113 1.098,114 -3.86,115 -3.82,116 -3.62,121 39.1,122 1,123 6,125 1,127 1,129 1,144 4,145 1,146 1,160 1,161 1,176 12,180 4,183 2,185 1,187 15,192 7,197 1,200 10,205 1,206 5,211 1,214 5,219 5,224 2,227 10,232 4,237 2,239 11,244 3,251 10,255 1,259 1,264 7,268 1,277 4,281 671,282 15.292,283 15.292,284 15.292,285 15.292,286 15.292,287 14.284,288 12.119,289 8.993,290 15.613,291 12.329,292 12.329,293 12.329,294 12.329,295 12.329,296 10.713,297 10.17,298 4.287,299 12.831,300 3.997,301 2.275,302 1.32,303 0.962,304 0.842,305 0.842,306 3.866,311 1,312 1,313 538,314 2.915,317 72.745,318 164.987,325 1.932,326 23.125,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 49.5,338 251,339 4.276,340 4.838,341 6.969,342 4.265,343 3.271,344 3.65,345 4.464,346 11.768,347 3.25,348 4.145,349 3.709,350 6.15,351 3.89,352 2.946,353 3.295,354 2.024,355 9.095,356 2.777,357 3.98,358 3.324,359 5.475,360 3.577,361 2.609,362 3.256,363 0.864,364 7.332,365 2.518,366 3.479,367 3.13,368 5.132,369 3.133,370 2.18,371 2.748,372 0.86,373 6.379,374 2.062,375 3.264,376 2.854,377 4.747,378 2.82,379 1.834,380 2.377,382 5.07,383 1.758,384 2.606,385 2.494,386 4.129,387 2.596,388 1.599,389 1.605,391 3.526,392 1.594,393 2.504,394 1.632,395 3.861,396 2.202,397 1.275,398 1.5,400 3.306,401 1.148,402 2.5,403 1.546,404 3.732,405 2,406 1,407 1.446,409 2.275,410 1,411 2,412 1.239,413 3.414,414 2,415 1,416 1,418 2.23,419 1,420 1.854,421 1,422 3.392,423 1.635,424 0.749,425 0.805,427 1.789,428 0.655,429 1.217,430 1,431 2.956,432 0.983,433 0.049,434 0.054,436 0.128,437 0.045,438 1,439 0.831,440 2.584,441 0.664,442 -0.316,443 -0.324,445 -0.752,446 -0.308,447 0.784,448 0.505,449 2.27,450 0.511,451 -0.527,452 -0.629,454 -1.256,455 -0.507,456 0.636,457 -0.013,458 2,459 0.358,460 -0.634,461 -0.887,463 -1.512,464 -0.644,465 0.5,466 -0.293,467 2,469 -1,470 -1,472 -2.508,473 -0.956,474 11.233,475 0.488,476 0.633,477 0.028,478 23.5,479 1.022,480 9.5,481 0.413,482 14,483 0.609,484 23.252,485 1.011,486 25.967,487 0.564,488 14.038,489 0.61,490 3.722,491 0.162,492 7.318,493 0.318,494 0.104,495 0.045,496 0.223,501 0.668,502 1.164,503 0.792,504 1.018,505 0.521,506 1.01,507 0.614,508 1.127,509 0.903,510 1.119,511 0.488,512 1.046,513 0.894,514 1.23,515 1.053,516 1.243,517 0.797,518 1.22,519 0.994,520 0.78,521 0.75,522 0.727,523 0.607,524 0.862,525 0.793,526 0.784,527 0.775,528 0.775,529 0.589,530 0.758,531 1.067,532 1.043,533 1.006,534 1.009,535 0.861,536 1.032,537 0.943,538 1.112,539 0.848,540 1.035,541 1.024,542 1.146,543 0.453,544 0.815,545 0.634,546 0.78,547 0.564,548 0.888,549 6,550 0.116,551 2.444,552 1.417,553 1.044,554 0.625,555 0.274,556 0.291,557 0.158,558 0.115,559 6336,560 15549,561 2.057,562 50,563 13,564 7,567 1,569 2,572 1.649,573 1.93,574 3.39,575 -0.326,582 70.228,583 1.527,584 3.248,585 4.203,586 4.561,587 4.681,588 4.681,589 2.873,590 3.969,591 4.497,592 3.583,593 906.568,594 7.699,595 10817.5,597 1,600 254.084,601 1.495,602 4.448,603 0.24,604 0.009,605 0.07,606 0.046,607 0.044,608 0.025,609 0.011,610 0.016,611 0.011,612 0.01,613 0.481,614 0.33,615 1,616 0.58,617 110.095,618 -0.016,619 0.006,620 0.068,621 0.047,622 -0.002,623 0.041,624 0.162,625 -0.035,626 0.092,627 -0.037,628 0.099,629 -0.013,630 -0.023,631 -0.245,632 -0.123,633 -0.251,634 -0.023,635 -0.22,636 0.015,637 0.095,638 0.083,639 0.12,640 0.109,641 0.085,642 0.012,643 0.134,644 0.173,645 0.179,646 0.05,647 0.231,648 -0.109,649 -0.042,650 -0.095,651 -0.049,652 -0.016,653 -0.052,654 -0.047,655 -0.165,656 -0.074,657 -0.172,658 -0.078,659 -0.182,660 0.299,661 0.065,662 0.168,663 0.08,664 0.123,665 0.085,666 1.916,667 4.591,668 0.739,669 21.297,670 0.997,671 1.122,672 2.627,673 6.9,674 0.661,675 3.258,676 3.584,677 3.761,678 3.951,679 4.094,680 3.97,681 4.025,682 4.174,683 4.234,684 4.234,685 6.536,686 0.612,687 333.49,688 3.258,689 4.796,690 5.617,691 6.485,692 7.321,693 8.187,694 9.028,695 9.893,696 10.737,697 11.601,698 2.2,705 1,715 4,720 2,722 6,739 1,741 46,743 8,744 1,745 25,747 48,748 18,749 6,750 2,751 4,756 3,757 3,763 1,764 1,766 1,767 6,770 7,772 8,773 10,777 2,782 2,786 2,790 1,793 23,794 4,795 1,796 5,797 1,802 1,805 1,808 1,809 3,828 1,829 2,856 1,859 3,862 1,864 1,868 23,876 7,877 1,878 1,879 1,880 1,882 1,893 6.5,896 2,898 1,901 11.917,902 8.333,903 4.986,904 2.986,907 1.326,908 1.196,909 0.932,910 5.201,911 8.098,912 3.434,913 3.902,914 4.238,915 4.634,916 5.047,917 5.003,918 5.231,919 5.585,920 5.811,921 5.821,922 1,923 31,924 8.587,926 3.693,927 0.026,929 7.743,931 16.771,933 14.319,936 2.243,937 51.583,940 1,941 258.964,942 114.953,943 18.011,945 61.29,947 32.22,948 82.733,949 320.254,950 18.011,951 8.825,952 37.81,953 37.905,954 54.995,955 19.429,956 3.07,957 291.184,959 258.964,960 100.744,961 61.29,962 32.22,964 235.422,965 84.832,968 46.636,969 54.108,971 32.22,972 258.964,973 79.3,974 114.953,977 258.964,978 68.223,979 46.73,980 18.011,981 61.29,982 258.964,983 79.3,984 114.953,986 0.586,987 0.326,988 0.164,989 0.087,990 17,991 7,992 0.104,993 5,995 1,996 3.637,997 173.442,999 17,1000 96.042,1001 1,1005 16.693,1006 7.166,1007 4.437,1009 79.3,1010 7.881,1015 1.92,1017 18.011,1018 453.218,1019 30,1024 22.776,1028 -0.439,1031 45.88,1032 51.614,1034 0.276,1035 0.588,1036 0.761,1037 0.826,1038 0.847,1039 0.847,1040 4.696,1041 1,1042 5.631,1043 3.306,1044 4.263,1045 4.585,1046 3.879,1047 6.435,1048 4.189,1049 5.87,1050 1,1051 7.194,1052 2.275,1053 4.007,1054 4.407,1055 3.087,1056 7.621,1057 3.932,1058 7.17,1059 0.749,1060 8.865,1061 2.23,1062 5.916,1063 6.559,1064 6.583,1065 10.549,1066 5.787,1067 8.498,1068 0.049,1069 10.605,1070 1.789,1071 6.463,1072 7.094,1073 6.32,1074 12.571,1075 6.334,1076 9.855,1077 -0.316,1078 12.391,1079 0.128,1080 7.889,1081 8.802,1082 9.486,1083 15.114,1084 7.727,1085 11.23,1086 -0.527,1087 14.21,1088 -0.752,1089 8.781,1090 9.638,1091 9.546,1092 17.425,1093 8.618,1094 12.618,1095 -0.634,1096 16.053,1097 -1.256,1098 10.031,1099 11.168,1100 12.419,1101 19.885,1102 9.85,1103 3.271,1104 -1,1105 17.915,1106 -1.512,1107 11.074,1108 12.155,1109 12.718,1110 22.292,1111 10.89,1112 2.946,1113 11.768,1114 19.79,1115 -2.508,1116 12.26,1117 13.595,1118 15.361,1119 24.741,1120 12.068,1121 2.609,1122 9.095,1123 21.677,1124 3.65,1125 13.369,1126 14.672,1127 15.847,1128 27.181,1129 13.175,1130 2.18,1131 7.332,1132 23.573,1133 3.295,1134 14.536,1135 16.061,1136 18.308,1137 29.634,1138 14.337,1139 1.834,1140 6.379,1141 25.476,1142 3.256,1143 15.675,1144 17.195,1145 18.945,1146 32.086,1147 15.476,1148 1.599,1149 5.07,1150 27.385,1151 2.748,1152 16.838,1153 18.551,1154 21.26,1155 34.544,1156 16.637,1157 1.275,1158 3.526,1159 29.299,1160 2.377,1161 17.993,1162 19.728,1163 22.021,1164 37.002,1165 17.791,1166 6109,1167 9853,1168 16.583,1169 30.392,1170 37.252,1171 41.198,1172 38.313,1173 36.908,1174 37.023,1175 43.474,1176 16.425,1177 105.797,1178 35.615,1179 5.276,1180 6.838,1181 6.701,1182 5.356,1183 5.271,1184 6.65,1185 8.622,1186 17.934,1187 5.25,1188 10.612,1189 1.49,1190 1.648,1191 1.533,1192 1.476,1193 1.481,1194 1.739,1195 0.657,1196 4.232,1197 1.425,1198 3.978,1199 4.01,1200 4.059,1201 3.9,1202 7.448,1203 3.891,1204 3.881,1205 3.923,1206 3.847,1207 3.796,1208 7.408,1209 3.779,1210 3.723,1211 3.737,1212 3.745,1213 3.616,1214 4.848,1215 3.585,1216 3.388,1217 3.455,1218 3.226,1219 3.227,1220 4.406,1221 3.211,1222 3.169,1223 3.22,1224 3.066,1225 2.982,1226 4.189,1227 2.988,1228 3.111,1229 3.206,1230 2.96,1231 2.941,1232 3.963,1233 2.91,1234 2.926,1235 2.995,1236 2.866,1237 2.735,1238 3.769,1239 2.715,1240 2.854,1241 2.925,1242 2.719,1243 2.646,1244 3.674,1245 2.667,1246 0.171,1247 0.194,1248 0.279,1249 0.171,1250 0.131,1251 4.276,1252 0.146,1253 4.838,1254 0.179,1255 6.969,1256 0.471,1257 4.265,1258 0.13,1259 3.271,1260 3.65,1261 4.464,1262 11.768,1263 3.25,1264 1.936,1265 1.906,1266 2.126,1267 2.061,1268 1.519,1269 2.083,1270 1.891,1271 1.85,1272 2.023,1273 1.986,1274 1.234,1275 2.003,1276 1.49,1277 1.465,1278 1.708,1279 1.694,1280 0.995,1281 1.679,1282 1.389,1283 1.322,1284 1.62,1285 1.598,1286 0.875,1287 1.619,1288 1.222,1289 1.212,1290 1.513,1291 1.473,1292 0.825,1293 1.466,1294 1.153,1295 1.064,1296 1.341,1297 1.376,1298 0.461,1299 1.429,1300 0.958,1301 0.917,1302 1.278,1303 1.243,1304 0.378,1305 1.273,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.227,1311 1.107,1312 3.932,1314 5.252,1315 2.398,1316 6.751,1317 4.727,1318 8.323,1319 6.763,1320 9.931,1322 2.313,1328 7.777,1329 2.32,1330 5.973,1331 1.07,1332 -0.31,1334 0.301,1340 28.148,1341 70.228,1342 149.416,1343 193.355,1344 209.819,1345 215.329,1346 215.329,1347 47.152,1348 6.772,1349 55.4,1350 80.7,1351 17,1352 12.152,1353 3.17,1354 2.585,1355 37.194,1356 93,1357 72,1358 0.199,1359 176.529,1360 314.66,1361 422.492,1362 7609,1364 16.286,1365 0.708,1366 0.621,1367 16.64,1368 14.286,1369 11.039,1370 0.442,1371 0.366,1372 8.272,1373 10.261,1374 7.966,1375 6.597,1376 11.448,1377 9.153,1378 10.346,1379 0.296,1380 0.23,1381 11.075,1382 8.067,1383 8.103,1384 0.193,1385 0.137,1386 8.824,1387 5.741,1388 6.393,1389 0.125,1390 0.081,1391 7.161,1392 4.13,1393 4.959,1394 0.084,1395 0.047,1396 5.521,1397 2.764,1398 0.321,1399 72.79,1400 0.246,1401 23.103,1402 0.522,1403 120,1404 334.4,1405 157.315,1406 336.823,1407 446.48,1408 314,1409 137,1410 297.381,1411 167.349,1412 314.289,1413 458.92,1414 294,1415 4.823}
{0 CHEMBL71740,1 1.531,2 12.958,3 4.704,4 22.123,5 99.401,6 6.368,7 0.208,8 4.063,9 4.206,10 3.516,11 3.517,12 5.057,13 3.429,14 4.628,15 4.866,16 3.756,17 3.857,18 5.424,19 3.71,20 4.852,21 5.142,22 3.83,23 3.94,24 5.578,25 3.769,26 4.871,27 5.141,28 3.807,29 3.988,30 5.694,31 3.797,32 4.931,33 5.23,34 3.682,35 3.929,36 5.707,37 3.72,38 4.758,39 5.044,40 3.553,41 3.788,42 5.551,43 3.6,44 4.546,45 4.783,46 3.565,47 3.646,48 5.483,49 3.545,50 4.619,51 4.855,52 3.521,53 3.624,54 5.638,55 3.529,56 0.159,57 0.779,58 15.004,59 5.535,60 16.803,61 7.777,62 0.258,63 1.155,64 27.765,65 8.458,66 18.838,67 12.4,68 0.423,69 1.26,70 35.824,71 9.644,72 26.972,73 14.644,74 0.439,75 1.3,76 34.379,77 10.677,78 39.101,79 15.395,80 0.467,81 1.237,82 37.645,83 10.723,84 41.562,85 15.163,86 0.495,87 1.088,88 34.131,89 8.989,90 33.089,91 12.644,92 0.296,93 0.96,94 24.749,95 6.403,96 24.941,97 9.894,98 0.423,99 0.941,100 26.999,101 6.192,102 44.671,103 9.686,104 54,105 28,106 0.26,107 0.444,108 0.673,109 0.778,110 0.821,111 0.833,112 3.226,113 1.267,114 -5.58,115 -5.46,116 -5.09,121 30.4,122 3,123 7,127 4,151 1,160 1,163 1,168 1,172 1,176 7,179 2,180 5,187 6,191 2,192 6,197 1,200 5,205 1,206 4,209 2,214 5,218 1,219 4,222 1,227 6,231 2,232 4,235 1,237 1,239 3,243 1,244 6,249 1,251 2,256 9,261 3,264 1,269 7,274 1,277 1,281 1022,282 16.637,283 16.637,284 16.637,285 16.637,286 16.637,287 15.659,288 13.76,289 10.541,290 17.201,291 11.635,292 11.635,293 11.635,294 11.635,295 11.635,296 10.35,297 11.078,298 4.742,299 12.426,300 4.277,301 3.189,302 1.84,303 1.219,304 0.969,305 0.898,306 3.875,311 1,312 1,313 603,314 4.472,317 83.706,325 2.295,326 16.82,328 1,329 0.75,330 0.83,331 0.83,332 1,333 1,334 0.83,335 0.5,336 0.82,337 52,338 311,339 4.28,340 4.539,341 6.173,342 3.839,343 2.91,344 3.884,345 3.49,346 9.178,347 2.704,348 3.691,349 3.553,350 5.308,351 3.364,352 2.452,353 3,354 1.434,355 6.803,356 2.233,357 3.437,358 2.931,359 5.266,360 3.259,361 2.335,362 2.44,363 0.8,364 6.63,365 2.156,366 2.913,367 2.764,368 4.271,369 2.842,370 1.85,371 1.954,373 3.982,374 1.833,375 2.785,376 2.553,377 3.83,378 2.508,379 1.56,380 1.802,382 3.58,383 1.475,384 2.413,385 1.895,386 3.43,387 2.292,388 1.345,389 1.408,391 2.679,392 1.255,393 2.267,394 1.754,395 3.344,396 2.039,397 1.11,398 1.225,400 2.263,401 1.014,402 2.185,403 1.371,404 3.262,405 1.781,406 0.799,407 1.034,409 1.681,410 0.783,411 1.827,412 0.846,413 2.841,414 1.64,415 0.677,416 0.795,418 1.382,419 0.651,420 1.618,421 0.744,422 2.618,423 1.591,424 0.618,425 0.618,427 0.791,428 0.6,429 1.39,430 0.692,431 2.618,432 1.253,433 0.341,434 0.351,436 0.526,437 0.305,438 1.167,439 0.589,440 2.367,441 1.105,442 0.118,443 0.123,445 0.205,446 0.117,447 0.889,448 0.259,449 2.161,450 0.794,451 -0.147,452 -0.151,454 -0.205,455 -0.136,456 0.521,457 0.131,458 1.67,459 0.45,460 -0.538,461 -0.558,463 -0.987,464 -0.53,465 0.357,466 -0.428,467 1.57,468 0.201,469 -0.721,470 -0.756,472 -1.331,473 -0.666,474 11.6,475 0.483,476 0.256,477 0.011,478 20,479 0.833,480 5.5,481 0.229,482 14.5,483 0.604,484 27.917,485 1.163,486 29.8,487 0.532,488 10.784,489 0.449,490 3.062,491 0.128,492 8.683,493 0.362,494 0.158,496 0.164,501 0.699,502 1.565,503 0.934,504 1.281,505 0.745,506 1.289,507 0.692,508 1.341,509 1.037,510 1.24,511 0.438,512 1.159,513 0.612,514 0.99,515 0.855,516 1.026,517 0.489,518 0.904,519 0.647,520 1.139,521 0.907,522 1.093,523 0.612,524 1.09,525 1.064,526 0.913,527 1.031,528 0.962,529 1.029,530 0.897,531 1.157,532 0.952,533 1.368,534 1.134,535 1.141,536 0.918,537 1.567,538 1.244,539 1.122,540 1.099,541 1.61,542 1.085,543 2.37,544 1.11,545 1.269,546 0.972,547 2.416,548 1.036,549 3.5,550 0.07,551 1.778,552 0.972,553 0.615,554 0.462,555 0.356,556 0.228,557 0.168,558 0.134,559 6433,560 13321,561 1.906,562 57.1,563 15,564 8,567 1,568 2,569 6,572 1.664,573 1.8,574 3.648,575 -0.26,582 85.725,583 1.531,584 2.618,585 3.967,586 4.588,587 4.838,588 4.91,589 3.146,590 4.22,591 4.545,592 3.834,593 1058.11,594 7.825,595 13764.6,597 1,600 325.212,601 1.252,602 4.522,603 0.146,604 0.005,605 0.063,606 0.035,607 0.023,608 0.019,609 0.015,610 0.01,611 0.008,612 0.008,613 0.332,614 0.17,615 0.75,616 2.737,617 119.046,618 0.232,619 -0.152,620 0.074,621 -0.029,622 0.183,623 -0.054,624 0.11,625 -0.153,626 0.035,627 -0.1,628 0.124,629 -0.069,630 0.172,631 0.034,632 0.186,633 0.015,634 0.144,635 0.102,636 0.212,637 -0.102,638 0.08,639 -0.048,640 0.195,641 -0.058,642 0.013,643 0.024,644 0.052,645 0.054,646 0.014,647 0.064,648 0.025,649 0.066,650 -0.082,652 -0.061,653 0.06,654 -0.142,655 -0.122,656 -0.095,657 -0.126,658 -0.157,659 -0.097,660 -0.388,661 -0.066,662 -0.206,663 -0.067,664 -0.275,665 -0.116,666 1.344,667 3.191,668 0.208,669 29.965,670 0.991,671 1.145,672 4.354,673 18.956,674 0.611,675 3.219,676 3.367,677 3.526,678 3.611,679 3.584,680 3.664,681 3.689,682 3.611,683 3.555,684 3.555,685 7.502,686 0.555,687 356.6,688 3.219,689 4.654,690 5.425,691 6.217,692 7.011,693 7.818,694 8.626,695 9.443,696 10.261,697 11.085,698 7.1,701 1,707 1,708 2,716 2,718 1,720 2,722 5,741 56,743 6,745 24,747 56,748 17,749 2,752 1,756 1,757 1,763 3,770 7,772 3,773 14,777 1,785 1,786 1,793 32,794 6,795 1,796 7,797 1,802 4,808 1,809 2,828 1,855 1,857 1,859 1,860 1,862 1,864 3,868 24,875 1,876 11,879 1,881 1,893 3.6,898 2,901 13.333,902 10.583,903 6.028,904 4.178,907 1.01,908 1.164,909 0.87,910 12.018,911 7.174,912 3.35,913 3.695,914 4.092,915 4.478,916 4.581,917 4.834,918 4.841,919 4.696,920 4.728,921 4.808,922 0.889,923 28,924 8.878,926 3.375,927 0.026,929 7.576,931 17.547,933 13.286,936 2.076,937 49.833,939 1,940 1,941 364.904,942 92.124,943 52.754,945 52.54,947 32.22,948 59.904,949 417.444,950 52.754,951 26.476,952 24.959,954 42.524,955 71.24,957 397.124,959 364.904,960 112.658,961 52.54,962 32.22,964 296.605,965 123.166,968 72.826,969 1.122,970 36.382,971 32.22,972 364.904,973 105.294,974 92.124,977 364.904,978 65.648,979 29.6,981 102.169,982 364.904,983 105.294,984 92.124,986 0.527,987 0.308,988 0.151,989 0.066,990 7,991 4,992 0.25,993 14,995 1,996 3.748,997 157.462,999 5,1000 104.039,1001 1,1005 21.303,1006 13.539,1007 8.799,1009 105.294,1011 8.343,1013 5.237,1015 1.022,1017 42.806,1018 562.321,1019 27.5,1027 3.315,1028 0.406,1031 55.509,1032 64.145,1034 0.264,1035 0.451,1036 0.683,1037 0.79,1038 0.833,1039 0.845,1040 4.503,1041 0.799,1042 5.313,1043 2.263,1044 4.043,1045 4.376,1046 3.416,1047 5.964,1048 3.915,1049 5.583,1050 0.677,1051 6.772,1052 1.681,1053 3.219,1054 3.829,1055 0.325,1056 6.629,1057 2.966,1058 6.806,1059 0.618,1060 8.336,1061 1.382,1062 5.468,1063 6.301,1064 5.726,1065 9.646,1066 5.196,1067 8.074,1068 0.341,1069 9.967,1070 0.791,1071 5.602,1072 6.786,1073 0.268,1074 11.222,1075 5.19,1076 9.385,1077 0.118,1078 11.644,1079 0.526,1080 7.165,1081 8.594,1082 8.198,1083 13.702,1084 6.738,1085 10.726,1086 -0.147,1087 13.352,1088 0.205,1089 7.757,1090 9.545,1091 0.188,1092 15.635,1093 7.198,1094 12.089,1095 -0.538,1096 15.081,1097 -0.205,1098 9.029,1099 11.091,1100 10.693,1101 17.943,1102 8.444,1103 2.91,1104 -0.721,1105 16.827,1106 -0.987,1107 9.852,1108 12.258,1109 0.125,1110 20.029,1111 9.15,1112 2.452,1113 9.178,1114 18.585,1115 -1.331,1116 10.996,1117 13.694,1118 13.192,1119 22.277,1120 10.255,1121 2.335,1122 6.803,1123 20.352,1124 3.884,1125 11.936,1126 14.961,1127 0.082,1128 24.432,1129 11.093,1130 1.85,1131 6.63,1132 22.127,1133 3,1134 13.026,1135 16.35,1136 15.692,1137 26.659,1138 12.132,1139 1.56,1140 3.982,1141 23.909,1142 2.44,1143 14.024,1144 17.664,1145 0.054,1146 28.846,1147 13.041,1148 1.345,1149 3.58,1150 25.695,1151 1.954,1152 15.094,1153 19.034,1154 18.192,1155 31.065,1156 14.052,1157 1.11,1158 2.679,1159 27.487,1160 1.802,1161 16.122,1162 20.37,1163 0.035,1164 33.267,1165 14.999,1166 6857,1167 10208,1168 15.485,1169 34.239,1170 32.447,1171 36.581,1172 34.657,1173 32.329,1174 32.231,1175 37.268,1176 11.449,1177 79.402,1178 30.25,1179 5.206,1180 6.439,1181 6.137,1182 4.961,1183 4.888,1184 6.554,1185 6.98,1186 15.413,1187 4.654,1188 13.294,1189 1.352,1190 1.524,1191 1.444,1192 1.347,1193 1.343,1194 1.553,1195 0.477,1196 3.308,1197 1.26,1198 3.906,1199 3.948,1200 4.001,1201 3.727,1202 6.543,1203 3.729,1204 3.747,1205 3.819,1206 3.718,1207 3.615,1208 5.279,1209 3.592,1210 3.737,1211 3.802,1212 3.591,1213 3.534,1214 4.323,1215 3.54,1216 3.533,1217 3.601,1218 3.495,1219 3.396,1220 4.217,1221 3.368,1222 3.368,1223 3.43,1224 3.31,1225 3.24,1226 4.074,1227 3.197,1228 3.306,1229 3.407,1230 3.04,1231 3.123,1232 4.026,1233 3.089,1234 3.22,1235 3.305,1236 3.03,1237 3.032,1238 3.892,1239 3.015,1240 3.079,1241 3.15,1242 2.911,1243 2.81,1244 3.825,1245 2.812,1246 0.178,1247 0.189,1248 0.257,1249 0.16,1250 0.121,1251 4.28,1252 0.162,1253 4.539,1254 0.145,1255 6.173,1256 0.382,1257 3.839,1258 0.113,1259 2.91,1260 3.884,1261 3.49,1262 9.178,1263 2.704,1264 1.801,1265 1.74,1266 2.051,1267 1.958,1268 1.401,1269 1.993,1270 1.71,1271 1.64,1272 1.95,1273 1.929,1274 1.219,1275 1.945,1276 1.63,1277 1.563,1278 1.898,1279 1.81,1280 1.197,1281 1.842,1282 1.464,1283 1.433,1284 1.725,1285 1.67,1286 0.938,1287 1.659,1288 1.358,1289 1.282,1290 1.664,1291 1.584,1292 0.906,1293 1.638,1294 1.351,1295 1.256,1296 1.637,1297 1.581,1298 0.869,1299 1.606,1300 1.228,1301 1.168,1302 1.395,1303 1.492,1304 0.591,1305 1.49,1306 1.036,1307 0.948,1308 1.309,1309 1.318,1310 0.386,1311 1.334,1312 3.892,1314 5.081,1315 2.398,1316 6.447,1317 4.595,1318 7.897,1319 6.581,1320 9.396,1322 6.505,1327 9.191,1328 12.048,1331 1.447,1333 2.319,1340 31.078,1341 85.725,1342 146.612,1343 222.153,1344 256.947,1345 270.947,1346 274.947,1347 65.125,1348 6.163,1349 74.75,1350 100.05,1351 5,1352 11.665,1353 2.807,1354 2.17,1355 67.39,1356 104,1357 126,1358 0.307,1359 203.965,1360 351.57,1361 489.435,1362 3416,1364 17.623,1365 0.734,1366 0.673,1367 17.977,1368 16.147,1369 11.744,1370 0.489,1371 0.422,1372 9.12,1373 10.754,1374 8.757,1375 7.431,1376 12.198,1377 10.133,1378 8.777,1379 0.313,1380 0.246,1381 9.361,1382 6.898,1383 7.081,1384 0.215,1385 0.15,1386 7.781,1387 4.953,1388 5.156,1389 0.143,1390 0.09,1391 5.817,1392 3.257,1393 3.215,1394 0.092,1395 0.057,1396 3.852,1397 1.995,1398 0.503,1399 78.654,1400 0.254,1401 24.486,1402 0.787,1403 104,1404 309.326,1405 139.231,1406 313.055,1407 418.59,1408 292,1409 113,1410 297.233,1411 146.458,1412 302.629,1413 431.66,1414 283,1415 6}
{0 CHEMBL71994,1 1.667,2 10.826,3 2.999,4 8.991,5 91.89,6 7.433,7 0.458,8 3.886,9 4.008,10 3.491,11 3.397,12 5.023,13 3.339,14 4.386,15 4.587,16 3.767,17 3.727,18 5.35,19 3.631,20 4.56,21 4.795,22 3.828,23 3.794,24 5.471,25 3.68,26 4.615,27 4.843,28 3.783,29 3.825,30 5.593,31 3.674,32 4.685,33 4.962,34 3.682,35 3.733,36 5.618,37 3.578,38 4.473,39 4.724,40 3.52,41 3.561,42 5.434,43 3.434,44 4.158,45 4.33,46 3.526,47 3.398,48 5.292,49 3.359,50 4.303,51 4.496,52 3.487,53 3.427,54 5.478,55 3.362,56 0.128,57 0.668,58 10.482,59 4.315,60 16.037,61 5.628,62 0.212,63 1.024,64 20.993,65 6.755,66 17.411,67 9.154,68 0.35,69 1.125,70 27.458,71 7.738,72 24.864,73 10.837,74 0.34,75 1.15,76 26.409,77 8.901,78 37.642,79 12.029,80 0.425,81 1.116,82 32.18,83 9.03,84 46.775,85 11.965,86 0.482,87 0.937,88 29.062,89 7.316,90 36.88,91 9.14,92 0.205,93 0.757,94 14.985,95 4.436,96 22.034,97 5.874,98 0.33,99 0.799,100 20.053,101 5.17,102 41.121,103 6.51,104 24,105 30,106 0.292,107 0.596,108 0.738,109 0.789,110 0.8,111 0.8,112 3.187,113 1.086,114 -4.17,115 -4.11,116 -3.89,121 35.6,122 2,123 1,127 4,144 5,145 1,151 1,160 1,163 1,168 1,172 1,176 7,179 2,180 5,187 8,191 2,192 6,197 1,200 5,205 1,206 6,209 2,214 2,218 1,219 7,222 1,227 3,231 2,232 5,235 1,237 1,239 1,243 1,244 5,249 1,251 2,256 7,261 4,264 2,269 4,274 2,277 1,281 814,282 15.955,283 15.955,284 15.955,285 15.955,286 15.955,287 14.226,288 17.398,289 9.724,290 16.519,291 11.67,292 11.67,293 11.67,294 11.67,295 11.67,296 9.366,297 19.901,298 4.385,299 12.458,300 3.825,301 2.088,302 1.275,303 0.984,304 0.922,305 0.922,306 3.852,310 1,311 1,312 1,313 507,314 3.808,317 73.493,318 87.018,325 1.921,326 16.067,328 1,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 50,338 249,339 4.29,340 4.539,341 6.176,342 3.857,343 2.922,344 3.896,345 3.49,346 9.197,347 2.739,348 3.93,349 3.553,350 5.548,351 3.551,352 2.579,353 3.45,354 1.434,355 7.558,356 2.507,357 3.613,358 3.019,359 5.271,360 3.356,361 2.439,362 2.96,363 0.8,364 6.644,365 2.229,366 3.435,367 2.852,368 5.05,369 3.106,370 2.177,371 2.44,372 0.68,373 6.096,374 2.01,375 2.937,376 2.645,377 4.235,378 2.489,379 1.533,380 2.095,382 3.828,383 1.464,384 2.715,385 2.361,386 3.579,387 2.27,388 1.338,389 1.765,391 2.986,392 1.226,393 2.5,394 1.749,395 3.371,396 2.021,397 1.089,398 1.5,400 2.265,401 1,402 2.268,403 1.425,404 3.265,405 2,406 1,407 1.225,409 2.136,410 0.999,411 2.184,412 1,413 3.247,414 1.659,415 0.701,416 1.025,418 1.66,419 0.67,420 1.618,421 0.749,422 2.747,423 1.591,424 0.618,425 0.618,427 0.791,428 0.6,429 1.394,430 0.744,431 2.618,432 1.252,433 0.341,434 0.351,436 0.527,437 0.305,438 1.178,439 0.589,440 2.618,441 0.901,442 -0.065,443 -0.074,445 -0.122,446 -0.062,447 0.886,448 0.265,449 2.295,450 0.764,451 -0.19,452 -0.213,454 -0.366,455 -0.179,456 0.5,457 0.111,458 1.672,459 0.218,460 -0.707,461 -0.746,463 -1.321,464 -0.652,465 0.484,466 -0.463,467 1.609,468 0.057,469 -0.926,470 -1.21,472 -2.203,473 -0.91,474 11.1,475 0.483,476 0.324,477 0.014,478 26,479 1.13,480 11.5,481 0.5,482 14.5,483 0.63,484 20.536,485 0.893,486 26.1,487 0.58,488 16.311,489 0.709,490 5.044,491 0.219,492 6.218,493 0.27,494 0.12,496 0.216,501 0.691,502 1.333,503 0.799,504 1.058,505 0.75,506 1.054,507 0.737,508 1.197,509 1.003,510 1.115,511 0.492,512 1.001,513 0.706,514 1.024,515 0.963,516 1.109,517 0.596,518 0.962,519 0.639,520 1.228,521 0.931,522 1.164,523 0.594,524 1.148,525 1.097,526 0.891,527 1.04,528 0.926,529 1.041,530 0.809,531 1.409,532 0.872,533 1.538,534 1.13,535 1.266,536 0.823,537 1.811,538 1.218,539 1.012,540 0.984,541 1.794,542 1.039,543 2.315,544 1.089,545 1.355,546 1.013,547 2.25,548 1.009,549 4,550 0.066,551 1.778,552 1.16,553 0.641,554 0.438,555 0.451,556 0.234,557 0.141,558 0.101,559 5747,560 14888,561 1.995,562 48.9,564 13,567 1,568 2,569 6,572 1.654,573 1.89,574 3.423,575 -0.241,576 1,577 1,579 1,582 75.026,583 1.667,584 3.404,585 4.217,586 4.508,587 4.569,588 4.569,589 2.914,590 3.828,591 4.491,592 3.598,593 910.378,594 7.721,595 10956,597 1,599 1,600 247.133,601 1.264,602 4.465,603 0.167,604 0.007,605 0.059,606 0.04,607 0.024,608 0.018,609 0.02,610 0.01,611 0.007,612 0.007,613 0.357,614 0.33,615 1,616 1.947,617 110.237,618 0.204,619 -0.102,620 0.075,621 0.014,622 0.127,623 -0.021,624 0.074,625 -0.053,626 0.042,627 -0.032,628 0.08,629 0.007,630 0.119,631 0.041,632 0.108,633 -0.049,634 0.08,635 0.037,636 0.232,637 -0.23,638 0.058,639 -0.132,640 0.22,641 -0.138,642 0.01,643 0.033,644 0.104,645 0.099,646 0.047,647 0.156,648 -0.057,649 0.151,650 -0.142,651 0.041,652 -0.092,653 0.136,654 -0.261,655 -0.094,656 -0.096,657 -0.083,658 -0.237,659 -0.141,660 -0.47,661 -0.037,662 -0.245,663 -0.041,664 -0.252,665 -0.125,666 1.4,667 3.184,668 0.478,669 23.278,670 1.002,671 1.135,672 2.94,673 8.643,674 0.654,675 3.219,676 3.434,677 3.638,678 3.784,679 3.829,680 3.85,681 3.951,682 3.951,683 3.912,684 3.912,685 6.524,686 0.61,687 334.49,688 3.219,689 4.691,690 5.493,691 6.315,692 7.133,693 7.965,694 8.791,695 9.627,696 10.459,697 11.3,698 8.9,701 1,707 1,708 2,715 5,716 2,718 1,720 3,722 11,741 45,743 12,744 1,745 24,747 46,748 16,749 8,750 1,751 5,752 1,756 2,757 2,763 2,770 1,772 9,773 7,777 1,785 1,786 1,789 1,790 1,793 22,794 6,795 1,796 7,797 1,802 4,808 1,809 2,828 1,829 1,855 1,857 1,859 2,860 1,862 1,864 2,868 23,875 1,876 5,879 1,881 1,893 4.4,898 2,901 12.167,902 8.5,903 5.528,904 2.914,907 2.049,908 1.319,909 0.905,910 7.427,911 8.464,912 3.45,913 3.927,914 4.402,915 4.873,916 5.168,917 5.294,918 5.58,919 5.854,920 6.123,921 6.367,922 1,923 29,924 8.444,926 3.332,927 0.026,929 7.696,931 16.251,933 12.436,936 2.196,937 50.5,940 1,941 247.193,942 118.658,943 52.754,945 52.54,947 32.22,948 86.438,949 299.733,950 52.754,951 17.65,952 9.751,953 47.381,954 42.524,955 74.425,957 279.413,959 247.193,960 139.192,961 52.54,962 32.22,964 178.894,965 123.166,968 48.794,969 51.689,970 36.382,971 32.22,972 247.193,973 105.294,974 118.658,977 247.193,978 53.626,979 68.156,981 102.169,982 247.193,983 105.294,984 118.658,986 0.547,987 0.326,988 0.166,989 0.075,990 11,991 5,992 0.196,993 9,995 1,996 3.621,997 161.917,999 11,1000 96.042,1001 1,1005 17.828,1006 9.582,1007 5.556,1009 105.294,1010 9.931,1011 8.266,1013 5.214,1015 1.955,1017 42.806,1018 471.145,1019 30.5,1027 3.292,1028 0.365,1031 45.091,1032 51.069,1034 0.304,1035 0.62,1036 0.768,1037 0.821,1038 0.832,1039 0.832,1040 4.623,1041 1,1042 5.416,1043 2.265,1044 4.111,1045 4.61,1046 3.446,1047 6.116,1048 3.992,1049 5.766,1050 0.701,1051 6.905,1052 2.136,1053 3.434,1054 4.086,1055 0.325,1056 6.823,1057 3.235,1058 7.021,1059 0.618,1060 8.491,1061 1.66,1062 5.595,1063 6.653,1064 5.727,1065 9.839,1066 5.359,1067 8.313,1068 0.341,1069 10.135,1070 0.791,1071 5.802,1072 7.028,1073 0.268,1074 11.391,1075 5.478,1076 9.639,1077 -0.065,1078 11.818,1079 0.527,1080 7.334,1081 8.973,1082 8.198,1083 13.879,1084 6.985,1085 10.987,1086 -0.19,1087 13.527,1088 -0.122,1089 7.953,1090 9.779,1091 0.188,1092 15.781,1093 7.515,1094 12.352,1095 -0.707,1096 15.254,1097 -0.366,1098 9.216,1099 11.442,1100 10.693,1101 18.089,1102 8.752,1103 2.922,1104 -0.926,1105 16.995,1106 -1.321,1107 10.042,1108 12.48,1109 0.125,1110 20.151,1111 9.492,1112 2.579,1113 9.197,1114 18.746,1115 -2.203,1116 11.184,1117 14,1118 13.192,1119 22.394,1120 10.601,1121 2.439,1122 7.558,1123 20.506,1124 3.896,1125 12.117,1126 15.168,1127 0.082,1128 24.533,1129 11.453,1130 2.177,1131 6.644,1132 22.273,1133 3.45,1134 13.206,1135 16.61,1136 15.692,1137 26.754,1138 12.5,1139 1.533,1140 6.096,1141 24.046,1142 2.96,1143 14.197,1144 17.853,1145 0.054,1146 28.93,1147 13.414,1148 1.338,1149 3.828,1150 25.825,1151 2.44,1152 15.264,1153 19.255,1154 18.192,1155 31.144,1156 14.432,1157 1.089,1158 2.986,1159 27.608,1160 2.095,1161 16.286,1162 20.542,1163 0.035,1164 33.34,1165 15.38,1166 5848,1167 9637,1168 15.89,1169 29.432,1170 33.81,1171 37.89,1172 35.453,1173 33.498,1174 33.477,1175 42.649,1176 12.809,1177 87.375,1178 31.499,1179 5.213,1180 6.539,1181 5.978,1182 4.979,1183 4.922,1184 6.896,1185 6.98,1186 15.446,1187 4.739,1188 10.88,1189 1.409,1190 1.579,1191 1.477,1192 1.396,1193 1.395,1194 1.777,1195 0.534,1196 3.641,1197 1.312,1198 3.962,1199 3.994,1200 4.009,1201 3.871,1202 6.543,1203 3.868,1204 3.795,1205 3.838,1206 3.835,1207 3.645,1208 5.281,1209 3.633,1210 3.73,1211 3.792,1212 3.657,1213 3.504,1214 4.742,1215 3.526,1216 3.38,1217 3.435,1218 3.491,1219 3.283,1220 4.321,1221 3.228,1222 3.306,1223 3.407,1224 3.04,1225 3.123,1226 4.065,1227 3.089,1228 3.181,1229 3.249,1230 3.036,1231 2.998,1232 3.898,1233 2.993,1234 2.975,1235 3.026,1236 2.864,1237 2.735,1238 3.892,1239 2.729,1240 2.854,1241 2.925,1242 2.687,1243 2.711,1244 3.713,1245 2.715,1246 0.179,1247 0.189,1248 0.257,1249 0.161,1250 0.122,1251 4.29,1252 0.162,1253 4.539,1254 0.145,1255 6.176,1256 0.383,1257 3.857,1258 0.114,1259 2.922,1260 3.896,1261 3.49,1262 9.197,1263 2.739,1264 1.915,1265 1.886,1266 2.042,1267 1.997,1268 1.219,1269 2.014,1270 1.709,1271 1.639,1272 1.949,1273 1.929,1274 1.167,1275 1.945,1276 1.478,1277 1.446,1278 1.725,1279 1.674,1280 0.938,1281 1.661,1282 1.367,1283 1.313,1284 1.638,1285 1.584,1286 0.869,1287 1.638,1288 1.351,1289 1.256,1290 1.571,1291 1.58,1292 0.728,1293 1.572,1294 1.22,1295 1.164,1296 1.314,1297 1.492,1298 0.379,1299 1.485,1300 0.886,1301 0.821,1302 1.181,1303 1.165,1304 0.218,1305 1.107,1306 0.772,1307 0.719,1308 1.079,1309 1.062,1310 0.208,1311 1.054,1312 3.892,1314 5.13,1315 2.398,1316 6.555,1317 4.595,1318 8.059,1319 6.581,1320 9.601,1322 4.256,1327 9.184,1328 4.321,1331 1.415,1333 2.302,1340 27.444,1341 75.026,1342 153.159,1343 189.749,1344 202.869,1345 205.624,1346 205.624,1347 40.137,1348 6.415,1349 74.75,1350 100.05,1351 11,1352 11.867,1353 3.7,1354 2.907,1355 45.438,1356 88,1357 81,1358 0.248,1359 178.197,1360 303.09,1361 426.561,1362 4658,1364 16.493,1365 0.717,1366 0.621,1367 16.847,1368 14.291,1369 11.262,1370 0.469,1371 0.362,1372 7.678,1373 10.272,1374 7.366,1375 6.178,1376 11.716,1377 8.69,1378 8.961,1379 0.299,1380 0.201,1381 9.544,1382 6.042,1383 7.506,1384 0.203,1385 0.119,1386 8.207,1387 4.404,1388 5.789,1389 0.135,1390 0.068,1391 6.45,1392 2.943,1393 3.873,1394 0.086,1395 0.04,1396 4.51,1397 1.802,1398 0.396,1399 75.76,1400 0.251,1401 23.139,1402 0.657,1403 108,1404 345.326,1405 143.231,1406 351.323,1407 473.44,1408 328,1409 121,1410 339.233,1411 154.458,1412 347.647,1413 496.66,1414 325,1415 4.523}
{0 CHEMBL72967,1 1.325,2 14.1,3 5.261,4 27.678,5 125.143,6 6.353,7 0.364,8 4.219,9 4.35,10 3.656,11 3.768,12 5.139,13 3.709,14 4.82,15 5.019,16 3.974,17 4.189,18 5.652,19 4.095,20 5.146,21 5.384,22 4.079,23 4.398,24 5.947,25 4.263,26 5.243,27 5.514,28 3.914,29 4.374,30 5.997,31 4.193,32 5.163,33 5.453,34 3.834,35 4.262,36 5.908,37 4.079,38 5.001,39 5.263,40 3.755,41 4.145,42 5.809,43 3.984,44 4.95,45 5.203,46 3.697,47 4.07,48 5.808,49 3.92,50 4.888,51 5.149,52 3.537,53 4.027,54 5.622,55 3.842,56 0.066,57 0.885,58 15.381,59 6.525,60 8.634,61 9.125,62 0.212,63 1.493,64 28.494,65 10.945,66 19.227,67 15.705,68 0.283,69 1.951,70 39.283,71 15.153,72 35.019,73 21.865,74 0.335,75 2.033,76 43.231,77 16.388,78 42.522,79 23.833,80 0.418,81 1.819,82 39.948,83 15.179,84 41.832,85 22.037,86 0.275,87 1.578,88 34.064,89 12.919,90 33.966,91 18.512,92 0.409,93 1.462,94 32.935,95 11.848,96 44.01,97 16.766,98 0.256,99 1.403,100 30.306,101 11.702,102 30.451,103 16.727,104 6,105 44,106 0.213,107 0.509,108 0.742,109 0.864,110 0.869,111 0.869,112 3.44,113 1.042,114 -5.16,115 -5.05,116 -4.73,121 40.6,123 7,124 1,126 1,127 4,144 7,145 3,146 2,159 1,176 15,180 7,185 3,187 16,192 8,197 4,200 13,206 5,211 1,214 11,218 1,219 5,222 1,224 1,227 14,232 1,237 1,239 12,243 1,244 5,249 1,251 12,256 3,261 2,264 9,269 3,277 7,281 1508,282 20.748,283 20.748,284 20.748,285 20.748,286 20.748,287 19.208,288 27.893,289 12.473,290 21.067,291 16.259,292 16.259,293 16.259,294 16.259,295 16.259,296 13.778,297 33.522,298 5.902,299 16.654,300 4.675,301 2.842,302 1.393,303 0.637,304 0.606,305 0.606,306 4.143,311 1,312 1,313 922,314 3.24,318 294.474,319 107.861,323 162.989,325 2.3,326 19.483,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 63,338 423,339 4.331,340 3.606,341 6.248,342 3.97,343 2.972,344 3.973,345 1.277,346 9.413,347 2.971,348 4.083,349 3.061,350 5.898,351 3.739,352 2.773,353 3.674,354 0.916,355 8.154,356 2.685,357 3.896,358 3.034,359 5.691,360 3.625,361 2.624,362 3.236,363 0.86,364 8.016,365 2.625,366 3.649,367 2.812,368 5.435,369 3.518,370 2.534,371 2.734,372 0.4,373 7.225,374 2.492,375 3.381,376 2.446,377 5.176,378 3.181,379 2.228,380 2.527,381 0.172,382 6.493,383 2.106,384 3.067,385 2.146,386 4.792,387 2.831,388 1.879,389 2.126,391 5.362,392 1.781,393 2.948,394 1.995,395 4.469,396 2.649,397 1.685,398 2.083,400 4.508,401 1.643,402 2.868,403 1.928,404 4.168,405 2.645,406 1.644,407 1.905,409 3.798,410 1.622,411 2.667,412 1.584,413 3.716,414 2.399,415 1.387,416 1.738,418 3.251,419 1.4,420 2.609,421 1.336,422 3.497,423 2.201,424 1.212,425 1.609,427 2.635,428 1.197,429 2.072,430 1.089,431 3.414,432 1.984,433 1,434 1.014,436 2.275,437 0.983,438 2,439 1.077,440 3.272,441 1.852,442 0.869,443 1,445 1.963,446 0.853,447 1.754,448 0.95,449 3.121,450 1.586,451 0.565,452 0.632,454 1.316,455 0.573,456 1.584,457 0.936,458 2.861,459 1.295,460 0.43,461 0.482,463 0.627,464 0.368,465 1.215,466 0.378,467 2.671,468 1.038,469 0.056,470 0.062,472 0.143,473 0.055,474 14.467,475 0.482,476 0.55,477 0.018,478 33,479 1.1,480 14.5,481 0.483,482 18.5,483 0.617,484 30.209,485 1.007,486 33.533,487 0.524,488 22.251,489 0.742,490 5.973,491 0.199,492 8.735,493 0.291,494 0.058,496 0.27,501 0.784,502 1.318,503 0.944,504 1.175,505 0.566,506 1.087,507 1.111,508 1.116,509 1.058,510 1.048,511 0.647,512 1.04,513 0.947,514 1.118,515 1.035,516 1.08,517 0.869,518 1.065,519 0.932,520 1.084,521 1.07,522 1.093,523 1.085,524 1.093,525 0.781,526 0.889,527 0.894,528 0.913,529 0.974,530 0.916,531 1.101,532 1.045,533 1.038,534 1.064,535 1.633,536 1.048,537 1.661,538 0.932,539 1.146,540 0.964,541 2.175,542 1.006,543 1.134,544 1.115,545 1.14,546 1.122,547 1.249,548 1.138,549 5.5,550 0.098,551 2.667,552 1.313,553 1.348,554 0.864,555 0.45,556 0.292,557 0.232,558 0.149,559 14296,560 28447,561 2.128,562 53.1,563 7,564 18,567 1,568 2,569 6,572 1.72,573 2.045,574 3.775,575 -0.448,582 84.815,583 1.325,584 3.158,585 4.607,586 5.363,587 5.394,588 5.394,589 3.248,590 4.482,591 4.88,592 3.966,593 1725.27,594 8.464,595 25806.9,600 384,601 1.159,602 4.862,603 0.167,604 0.004,605 0.061,606 0.028,607 0.036,608 0.025,609 0.014,610 0.01,611 0.009,612 0.006,613 0.36,614 0.33,615 1,616 0.588,617 158.875,618 0.017,619 -0.088,620 0.064,621 -0.019,622 0.036,623 0.02,624 -0.097,625 0.021,626 -0.044,627 0.004,628 0.018,629 -0.01,630 -0.047,631 -0.068,632 -0.048,633 -0.061,634 0.023,635 -0.055,636 -0.05,637 -0.099,638 -0.096,639 -0.111,640 -0.047,641 -0.108,642 0.11,643 0.054,644 0.075,645 0.055,646 0.027,647 0.059,648 -0.044,649 -0.067,650 -0.049,651 -0.075,652 -0.122,653 -0.063,654 -0.119,655 0.038,656 -0.112,657 0.005,658 -0.204,659 -0.047,660 -0.108,661 -0.149,662 -0.158,663 -0.126,664 -0.146,665 -0.147,666 1.373,667 5.775,668 0.767,669 34.702,670 0.984,671 1.126,672 3.928,673 15.43,674 0.642,675 3.526,676 3.807,677 4.043,678 4.248,679 4.489,680 4.533,681 4.564,682 4.625,683 4.718,684 4.796,685 8.309,686 0.592,687 406.62,688 3.526,689 5.043,690 5.872,691 6.72,692 7.562,693 8.413,694 9.259,695 10.111,696 10.959,697 11.813,698 3.1,701 1,703 1,715 7,720 5,722 12,727 1,734 1,739 1,741 64,743 13,744 2,745 33,747 67,748 26,749 12,750 5,751 7,752 1,756 4,757 5,767 5,768 1,770 7,772 13,773 13,774 1,777 1,782 1,786 1,793 34,794 4,795 1,796 4,802 2,808 0.75,809 2,829 3,830 1,834 1,855 1,859 3,864 1,868 30,876 11,877 1,878 1,880 1,881 1,893 3.1,896 1,898 1,901 14.667,902 11.45,903 6.722,904 4.238,907 2.082,908 1.268,909 0.974,910 7.326,911 9.848,912 3.714,913 4.205,914 4.687,915 5.145,916 5.629,917 5.718,918 5.858,919 5.883,920 6.021,921 6.168,922 1,923 47,924 11.191,926 4.688,927 0.026,929 7.461,931 22.404,933 18.924,936 1.961,937 58.833,941 388.446,942 126.072,943 21.135,945 36.145,948 126.072,949 424.591,950 21.135,951 10.883,952 26.165,953 66.334,954 48.289,955 31.681,957 388.446,959 388.446,960 147.207,961 36.145,964 317.82,965 106.771,968 29.289,969 99.907,970 18.011,972 388.446,973 57.28,974 126.072,977 388.446,978 48.855,979 80.341,980 18.011,981 36.145,982 388.446,983 57.28,984 126.072,986 0.569,987 0.33,988 0.173,989 0.098,990 20,991 8,992 0.104,993 7,994 1,995 1.087,996 4.356,997 252.682,998 0.087,999 23,1000 143.207,1005 21.24,1006 10.347,1007 5.796,1009 57.28,1010 14.614,1015 5.629,1017 18.011,1018 571.798,1019 40,1024 12.775,1028 0.294,1031 62.996,1032 72.059,1034 0.221,1035 0.526,1036 0.768,1037 0.894,1038 0.899,1039 0.899,1040 4.942,1041 1.644,1042 5.82,1043 4.508,1044 4.489,1045 4.89,1046 2.024,1047 6.555,1048 4.449,1049 6.083,1050 1.387,1051 7.328,1052 3.798,1053 3.892,1054 4.527,1055 0.325,1056 7.273,1057 3.845,1058 7.35,1059 1.212,1060 8.931,1061 3.251,1062 6.014,1063 6.926,1064 2.132,1065 10.32,1066 5.945,1067 8.646,1068 1,1069 10.589,1070 2.635,1071 6.236,1072 7.392,1073 0.393,1074 11.847,1075 6.167,1076 9.976,1077 0.869,1078 12.282,1079 2.275,1080 7.778,1081 9.266,1082 2.417,1083 14.372,1084 7.69,1085 11.327,1086 0.565,1087 13.999,1088 1.963,1089 8.401,1090 10.128,1091 0.384,1092 16.252,1093 8.317,1094 12.695,1095 0.43,1096 15.733,1097 1.316,1098 9.681,1099 11.768,1100 2.793,1101 18.581,1102 9.583,1103 2.972,1104 0.056,1105 17.48,1106 0.627,1107 10.512,1108 12.84,1109 0.351,1110 20.629,1111 10.418,1112 2.773,1113 9.413,1114 19.236,1115 0.143,1116 11.668,1117 14.36,1118 3.22,1119 22.882,1120 11.565,1121 2.624,1122 8.154,1123 21.001,1124 3.973,1125 12.608,1126 15.55,1127 0.312,1128 25.014,1129 12.507,1130 2.534,1131 8.016,1132 22.772,1133 3.674,1134 13.708,1135 17.003,1136 3.676,1137 27.24,1138 13.601,1139 2.228,1140 7.225,1141 24.548,1142 3.236,1143 14.705,1144 18.262,1145 0.273,1146 29.415,1147 14.599,1148 1.879,1149 6.493,1150 26.329,1151 2.734,1152 15.78,1153 19.677,1154 4.146,1155 31.634,1156 15.671,1157 1.685,1158 5.362,1159 28.115,1160 2.527,1161 16.807,1162 20.978,1163 0.236,1164 33.833,1165 16.7,1166 13388,1167 18981,1168 22.652,1169 41.103,1170 47.88,1171 49.339,1172 48.857,1173 47.663,1174 47.713,1175 57.589,1176 7.253,1177 130.356,1178 46.705,1179 5.331,1180 5.606,1181 6.004,1182 5.005,1183 4.972,1184 6.973,1185 2.555,1186 15.785,1187 4.971,1188 10.508,1189 1.451,1190 1.495,1191 1.481,1192 1.444,1193 1.446,1194 1.745,1195 0.22,1196 3.95,1197 1.415,1198 4.025,1199 4.062,1200 3.957,1201 3.944,1202 7.427,1203 3.942,1204 3.946,1205 3.983,1206 3.876,1207 3.862,1208 4.867,1209 3.86,1210 3.832,1211 3.875,1212 3.719,1213 3.724,1214 4.72,1215 3.715,1216 3.644,1217 3.695,1218 3.523,1219 3.509,1220 4.41,1221 3.502,1222 3.456,1223 3.521,1224 3.311,1225 3.301,1226 4.287,1227 3.295,1228 3.283,1229 3.341,1230 3.136,1231 3.08,1232 4.152,1233 3.082,1234 3.216,1235 3.304,1236 3.037,1237 3.003,1238 3.891,1239 2.999,1240 3.153,1241 3.226,1242 2.989,1243 2.941,1244 3.844,1245 2.933,1246 0.131,1247 0.109,1248 0.189,1249 0.12,1250 0.09,1251 4.331,1252 0.12,1253 3.606,1254 0.039,1255 6.248,1256 0.285,1257 3.97,1258 0.09,1259 2.972,1260 3.973,1261 1.277,1262 9.413,1263 2.971,1264 1.955,1265 1.929,1266 2.104,1267 2.075,1268 1.485,1269 2.087,1270 1.923,1271 1.893,1272 2.04,1273 2.024,1274 1.313,1275 2.029,1276 1.831,1277 1.785,1278 1.992,1279 1.952,1280 1.187,1281 1.966,1282 1.671,1283 1.605,1284 1.921,1285 1.854,1286 1.147,1287 1.883,1288 1.503,1289 1.448,1290 1.735,1291 1.706,1292 1.005,1293 1.717,1294 1.268,1295 1.208,1296 1.579,1297 1.531,1298 0.825,1299 1.546,1300 1.193,1301 1.119,1302 1.513,1303 1.445,1304 0.736,1305 1.468,1306 1.153,1307 1.064,1308 1.501,1309 1.376,1310 0.659,1311 1.429,1312 4.205,1314 5.493,1316 6.969,1317 2.708,1318 8.527,1319 5.094,1320 10.129,1322 1.716,1328 11.798,1329 3.492,1330 5.334,1332 0.662,1333 2.519,1340 37.901,1341 84.815,1342 202.121,1343 294.865,1344 343.245,1345 345.245,1346 345.245,1347 50.471,1348 7.766,1349 41.57,1350 41.57,1351 25,1352 12.369,1353 3.807,1354 3,1355 47.52,1356 153,1357 138,1358 0.149,1359 231.687,1360 408.22,1361 557.076,1362 30188,1364 20.761,1365 0.692,1366 0.605,1367 20.761,1368 18.161,1369 14.708,1370 0.446,1371 0.347,1372 11.356,1373 14.31,1374 11.072,1375 9.176,1376 14.708,1377 11.464,1378 12.715,1379 0.289,1380 0.2,1381 12.715,1382 8.789,1383 10.767,1384 0.192,1385 0.119,1386 10.767,1387 6.647,1388 8.552,1389 0.124,1390 0.069,1391 8.552,1392 4.738,1393 7.169,1394 0.081,1395 0.041,1396 7.169,1397 3.58,1398 0.245,1399 91.006,1400 0.21,1401 29.217,1402 0.381,1403 154,1404 355.449,1405 162.785,1406 344.76,1407 473.53,1408 326,1409 177,1410 340.985,1411 186.147,1412 349.942,1413 506.13,1414 329,1415 6.072}
{0 CHEMBL73160,1 1.397,2 15.474,3 9.393,4 88.225,5 160.815,6 7.4,7 0.512,8 4.382,9 4.509,10 3.957,11 4.005,12 5.304,13 3.944,14 4.978,15 5.162,16 4.348,17 4.449,18 5.85,19 4.352,20 5.308,21 5.554,22 4.453,23 4.604,24 6.118,25 4.479,26 5.292,27 5.536,28 4.41,29 4.567,30 6.128,31 4.441,32 5.287,33 5.528,34 4.321,35 4.591,36 6.048,37 4.444,38 5.361,39 5.616,40 4.299,41 4.619,42 6.078,43 4.431,44 5.394,45 5.679,46 4.163,47 4.562,48 6.055,49 4.332,50 5.255,51 5.544,52 3.962,53 4.392,54 5.922,55 4.153,56 0.065,57 1.039,58 15.874,59 7.072,60 7.613,61 9.912,62 0.15,63 1.793,64 31.752,65 13.019,66 20.247,67 18.355,68 0.341,69 2.355,70 51.426,71 17.914,72 38.212,73 25.407,74 0.507,75 2.372,76 49.257,77 16.544,78 46.872,79 23.849,80 0.345,81 2.345,82 46.077,83 17.144,84 32.635,85 24.561,86 0.377,87 2.387,88 52.26,89 20.022,90 35.668,91 28.398,92 0.403,93 2.309,94 61.629,95 21.868,96 39.541,97 30.44,98 0.408,99 1.931,100 59.909,101 19.261,102 40.653,103 26.486,104 5,105 60,106 0.215,107 0.499,108 0.633,109 0.728,110 0.744,111 0.744,112 3.667,113 1.055,114 -6.73,115 -6.55,116 -6.07,121 43.2,123 12,127 2,144 6,145 4,146 4,148 4,176 15,180 8,185 6,187 22,192 6,197 6,200 13,206 6,209 2,211 10,214 18,224 4,227 20,232 2,237 2,239 28,244 2,248 1,251 24,256 2,264 18,269 2,274 4,277 12,281 2616,282 26.413,283 26.413,284 26.413,285 26.413,286 26.413,287 23.788,288 26.767,289 15.919,290 26.909,291 21.322,292 21.322,293 21.322,294 21.322,295 21.322,296 17.134,297 26.098,298 7.649,299 22.239,300 4.812,301 2.968,302 2.101,303 1.486,304 1.378,305 1.378,306 4.391,308 2,313 1326,314 3.742,318 533.342,322 608.345,325 1.928,326 22.151,329 0.5,330 0.5,331 0.5,332 0.6,333 0.5,334 0.67,335 1,336 0.61,337 78.667,338 588,339 4.651,340 3.373,341 6.833,342 4.214,343 3.235,344 4.582,345 0.4,346 11.364,347 3.165,348 4.651,349 3.373,350 6.833,351 4.213,352 3.235,353 4.582,354 0.4,355 11.364,356 3.165,357 3.99,358 2.943,359 6.004,360 3.58,361 2.61,362 3.534,364 8.477,365 2.532,366 3.99,367 2.943,368 6.004,369 3.58,370 2.61,371 3.534,373 8.477,374 2.532,375 3.584,376 2.563,377 5.427,378 3.195,379 2.255,380 2.961,382 6.886,383 2.108,384 3.583,385 2.562,386 5.427,387 3.189,388 2.25,389 2.961,391 6.886,392 2.099,393 3.366,394 2.274,395 4.899,396 2.898,397 1.99,398 2.699,400 5.573,401 1.831,402 3.365,403 2.268,404 4.899,405 2.88,406 1.98,407 2.699,409 5.573,410 1.704,411 2.883,412 1.909,413 4.121,414 2.82,415 1.838,416 1.898,418 3.813,419 1.702,420 2.703,421 1.734,422 4.121,423 2.5,424 1.53,425 1.757,427 3.46,428 1.477,429 2.647,430 1.533,431 3.997,432 2.432,433 1.442,434 1.689,436 3.39,437 1.419,438 2.505,439 1.435,440 3.94,441 2.406,442 1.414,443 1.506,445 3.317,446 1.398,447 2.49,448 1.434,449 3.758,450 2.25,451 1.257,452 1.489,454 3.125,455 1.246,456 2.47,457 1.421,458 3.612,459 2.249,460 1.256,461 1.469,463 2.987,464 1.246,465 2.181,466 1.285,467 3.572,468 2.096,469 1.135,470 1.17,472 2.639,473 1.085,474 19.029,475 0.501,476 0.76,477 0.02,478 45,479 1.184,480 21,481 0.553,482 24,483 0.632,484 43.157,485 1.136,486 40.371,487 0.546,488 30.052,489 0.791,490 7.485,491 0.197,492 11.185,493 0.294,494 0.075,496 0.315,501 0.726,502 1.189,503 0.662,504 0.932,505 0.613,506 0.924,507 0.75,508 1.237,509 0.716,510 0.999,511 0.568,512 0.997,513 0.98,514 1.069,515 0.818,516 0.891,517 0.859,518 0.873,519 1.008,520 1.037,521 0.82,522 0.925,523 0.871,524 0.953,525 0.993,526 1.021,527 0.8,528 0.949,529 0.882,530 1.032,531 0.643,532 1.076,533 0.817,534 1.087,535 0.727,536 1.134,537 0.833,538 0.938,539 1.016,540 1.048,541 0.956,542 1.064,543 1.153,544 0.89,545 1.306,546 1.09,547 1.254,548 1.054,549 5.5,550 0.091,551 3.778,552 2.625,553 2.542,554 0.986,555 0.803,556 0.385,557 0.262,558 0.154,559 28123,560 63805,561 2.192,562 48.6,563 16,564 10,567 2,568 4,569 4,572 1.781,573 2.111,574 3.783,575 0.071,582 103.382,583 1.397,584 3.242,585 4.108,586 4.723,587 4.831,588 4.831,589 3.005,590 4.248,591 5.231,592 4.041,593 2840.94,594 9.166,595 51524,600 459.5,601 1.167,602 5.205,603 0.128,604 0.003,605 0.063,606 0.04,607 0.042,608 0.018,609 0.017,610 0.01,611 0.008,612 0.005,613 0.335,614 0.33,615 0.63,616 0.362,617 215.75,618 -0.016,619 -0.019,620 0.028,621 0.033,622 0.053,623 0.048,624 0.014,625 -0.141,626 0.031,627 -0.039,628 0.155,629 -0.024,630 -0.005,631 -0.038,632 0.061,633 0.063,634 0.067,635 0.093,636 0.052,637 0.045,638 -0.001,639 -0.007,640 0.059,641 -0.015,642 -0.141,643 0.043,644 -0.065,645 -0.021,646 -0.14,647 -0.079,648 0.053,649 -0.094,650 -0.027,651 -0.118,652 -0.023,653 -0.145,654 0.001,655 -0.031,656 -0.025,657 -0.042,658 -0.066,659 -0.054,660 -0.093,661 -0.011,662 -0.107,663 -0.054,664 -0.133,665 -0.035,666 0.913,667 2.165,668 0.737,669 38.271,670 0.988,671 1.121,672 5.503,673 30.287,674 0.685,675 3.784,676 4.111,677 4.431,678 4.762,679 5.075,680 5.187,681 5.318,682 5.442,683 5.489,684 5.342,685 9.386,686 0.631,687 547.62,688 3.784,689 5.333,690 6.201,691 7.093,692 7.982,693 8.885,694 9.785,695 10.692,696 11.596,697 12.506,698 5.4,703 2,708 2,714 4,715 6,716 2,720 8,722 22,734 2,740 2,741 74,743 22,744 2,745 43,747 79,748 32,749 18,750 6,751 6,756 6,757 12,758 2,767 8,770 12,772 18,773 14,793 36,794 4,795 2,796 6,797 2,802 4,808 0.333,822 2,829 6,833 4,859 2,865 2,868 38,876 14,877 2,892 2,901 18,902 13.186,903 8.306,904 5.285,907 4.683,908 1.518,909 1.031,910 8.132,911 13.716,912 4.007,913 4.644,914 5.298,915 5.96,916 6.606,917 6.988,918 7.362,919 7.736,920 8.014,921 7.862,922 0.9,923 65,924 14.126,926 6.065,927 0.026,929 7.401,931 28.375,933 24.61,936 1.901,937 72.222,941 400.217,942 125.317,943 69.593,944 78.297,948 125.317,949 478.515,950 69.593,952 34.626,953 56.857,954 69.593,955 33.834,957 400.217,958 78.297,959 400.217,960 194.909,962 78.297,964 353.133,965 47.084,968 44.428,969 80.889,970 147.89,972 400.217,973 69.593,974 203.614,977 400.217,978 68.459,979 56.857,980 36.022,981 111.868,982 400.217,983 69.593,984 203.614,986 0.575,987 0.339,988 0.2,989 0.12,990 30,991 12,992 0.114,993 9,994 4,995 1.286,996 4.984,997 374.931,998 0.286,999 28,1000 161.421,1005 26.013,1006 11.879,1007 5.727,1008 4.432,1009 69.593,1010 12.225,1011 9.897,1015 9.443,1017 36.022,1018 673.424,1019 54,1031 73.076,1032 82.94,1034 0.225,1035 0.522,1036 0.662,1037 0.761,1038 0.778,1039 0.778,1040 5.255,1041 1.98,1042 6.172,1043 5.573,1044 4.796,1045 5.333,1046 0.495,1047 7.004,1048 4.717,1049 6.456,1050 1.838,1051 7.732,1052 5.573,1053 4.29,1054 5.247,1056 7.941,1057 4.13,1058 7.775,1059 1.53,1060 9.4,1061 3.813,1062 6.392,1063 7.626,1064 0.097,1065 11.109,1066 6.259,1067 9.137,1068 1.442,1069 11.134,1070 3.46,1071 6.758,1072 8.41,1074 12.925,1075 6.577,1076 10.538,1077 1.414,1078 12.913,1079 3.39,1080 8.293,1081 10.266,1082 0.016,1083 15.606,1084 8.122,1085 11.965,1086 1.257,1087 14.723,1088 3.317,1089 9.088,1090 11.445,1092 17.779,1093 8.887,1094 13.414,1095 1.256,1096 16.555,1097 3.125,1098 10.392,1099 13.098,1100 0.003,1101 20.296,1102 10.187,1103 3.235,1104 1.135,1105 18.403,1106 2.987,1107 11.393,1108 14.462,1110 22.616,1111 11.165,1112 3.235,1113 11.364,1114 20.264,1115 2.639,1116 12.606,1117 16.033,1119 25.076,1120 12.367,1121 2.61,1122 11.364,1123 22.136,1124 4.582,1125 13.7,1126 17.482,1128 27.458,1129 13.44,1130 2.61,1131 8.477,1132 24.015,1133 4.582,1134 14.881,1135 19.022,1137 29.898,1138 14.605,1139 2.255,1140 8.477,1141 25.901,1142 3.534,1143 16.018,1144 20.51,1146 32.307,1147 15.721,1148 2.25,1149 6.886,1150 27.792,1151 3.534,1152 17.189,1153 22.037,1155 34.74,1156 16.873,1157 1.99,1158 6.886,1159 29.687,1160 2.961,1161 18.344,1162 23.543,1164 37.16,1165 18.007,1166 25400,1167 38488,1168 29.819,1169 50.682,1170 63.524,1171 64.847,1172 65.302,1173 64.066,1174 63.658,1175 81.043,1176 1.6,1177 183.022,1178 60.844,1179 5.612,1180 5.373,1181 6.72,1182 5.255,1183 5.235,1184 7.582,1185 0.8,1186 18.902,1187 5.165,1188 12.564,1189 1.477,1190 1.508,1191 1.519,1192 1.49,1193 1.48,1194 1.885,1195 0.037,1196 4.256,1197 1.415,1198 4.138,1199 4.168,1200 4.145,1201 4.067,1202 5.054,1203 4.07,1204 4.09,1205 4.117,1206 4.106,1207 4.024,1208 5.021,1209 4.027,1210 3.753,1211 3.816,1212 3.782,1213 3.665,1214 4.687,1215 3.65,1216 3.736,1217 3.78,1218 3.774,1219 3.66,1220 4.682,1221 3.645,1222 3.733,1223 3.779,1224 3.581,1225 3.613,1226 4.282,1227 3.595,1228 3.516,1229 3.597,1230 3.432,1231 3.339,1232 4.215,1233 3.332,1234 3.321,1235 3.382,1236 3.399,1237 3.2,1238 4.16,1239 3.19,1240 3.224,1241 3.275,1242 3.277,1243 3.119,1244 4.14,1245 3.102,1246 0.108,1247 0.078,1248 0.159,1249 0.098,1250 0.075,1251 4.651,1252 0.107,1253 3.373,1254 0.009,1255 6.833,1256 0.264,1257 4.214,1258 0.074,1259 3.235,1260 4.582,1261 0.4,1262 11.364,1263 3.165,1264 2.071,1265 2.047,1266 2.15,1267 2.16,1268 1.439,1269 2.16,1270 2.069,1271 2.046,1272 2.147,1273 2.157,1274 1.435,1275 2.157,1276 1.759,1277 1.711,1278 2.009,1279 1.927,1280 1.362,1281 1.959,1282 1.75,1283 1.709,1284 1.927,1285 1.863,1286 1.16,1287 1.892,1288 1.75,1289 1.693,1290 1.923,1291 1.862,1292 1.144,1293 1.891,1294 1.504,1295 1.428,1296 1.769,1297 1.723,1298 1.051,1299 1.743,1300 1.296,1301 1.245,1302 1.507,1303 1.486,1304 0.764,1305 1.502,1306 1.219,1307 1.173,1308 1.458,1309 1.361,1310 0.754,1311 1.389,1312 4.466,1314 5.79,1316 7.327,1318 8.976,1320 10.688,1323 12.553,1328 16.084,1329 7.589,1340 46.696,1341 103.382,1342 239.874,1343 303.99,1344 349.5,1345 357.5,1346 357.5,1347 56.562,1348 9.033,1349 49.84,1350 49.84,1351 36,1352 13.022,1353 4.524,1354 3.585,1355 53.575,1356 227,1357 160,1358 0.113,1359 287.934,1360 492.42,1361 694.319,1362 158415,1363 2.7,1364 25.899,1365 0.682,1366 0.619,1367 26.899,1368 23.526,1369 18.67,1370 0.434,1371 0.352,1372 14.359,1373 17.794,1374 14.02,1375 11.541,1376 19.247,1377 15.126,1378 16.599,1379 0.277,1380 0.195,1381 17.415,1382 11.702,1383 14.278,1384 0.172,1385 0.104,1386 14.803,1387 8.627,1388 12.635,1389 0.109,1390 0.057,1391 13.105,1392 6.564,1393 11.09,1394 0.07,1395 0.032,1396 11.553,1397 5.094,1398 0.187,1399 120.095,1400 0.183,1401 35.133,1402 0.289,1403 206,1404 450.363,1405 244.588,1406 511.169,1407 707.78,1408 482,1409 246,1410 496.74,1411 274.177,1412 526.248,1413 781.66,1414 502,1415 9.222}
{0 CHEMBL73339,1 1.239,2 15.806,3 6.503,4 42.294,5 132.187,6 6.068,7 0.353,8 4.278,9 4.417,10 3.677,11 3.843,12 5.142,13 3.768,14 4.892,15 5.104,16 3.995,17 4.268,18 5.661,19 4.154,20 5.21,21 5.47,22 4.024,23 4.431,24 5.939,25 4.269,26 5.274,27 5.555,28 3.919,29 4.414,30 5.971,31 4.222,32 5.233,33 5.529,34 3.875,35 4.348,36 5.916,37 4.157,38 5.134,39 5.406,40 3.85,41 4.289,42 5.915,43 4.115,44 5.07,45 5.337,46 3.724,47 4.242,48 5.827,49 4.049,50 5.015,51 5.306,52 3.593,53 4.142,54 5.682,55 3.933,56 0.077,57 0.953,58 16.899,59 7.143,60 8.985,61 10.248,62 0.2,63 1.636,64 30.879,65 11.925,66 17.459,67 17.6,68 0.278,69 2.062,70 41.486,71 16.236,72 33.619,73 23.735,74 0.306,75 2.104,76 43.808,77 17.174,78 37,79 24.997,80 0.28,81 1.984,82 41.735,83 16.465,84 32.178,85 23.955,86 0.35,87 1.811,88 38.445,89 14.966,90 38.968,91 21.51,92 0.302,93 1.707,94 35.818,95 14.544,96 36.865,97 20.77,98 0.203,99 1.595,100 33.319,101 13.632,102 26.707,103 19.692,104 9,105 45,106 0.196,107 0.457,108 0.701,109 0.846,110 0.852,111 0.852,112 3.471,113 1.094,114 -6.1,115 -5.94,116 -5.53,121 40.6,122 1,123 8,124 1,127 5,144 8,145 3,146 1,159 1,176 18,180 9,187 18,192 9,200 13,206 8,214 11,219 6,227 17,231 1,232 1,239 20,243 1,244 2,251 18,256 4,264 11,269 6,277 7,281 1794,282 21.507,283 21.507,284 21.507,285 21.507,286 21.507,287 19.965,288 23.521,289 13.179,290 21.691,291 16.791,292 16.791,293 16.791,294 16.791,295 16.791,296 14.414,297 27.979,298 6.283,299 17.078,300 4.87,301 3.228,302 1.689,303 0.776,304 0.736,305 0.736,306 4.172,312 1,313 1062,314 3.674,317 83.629,318 323.056,321 146.175,325 2.574,326 16.751,329 0.75,330 0.67,331 0.83,332 1,333 1,334 1,335 1,336 0.89,337 64,338 490,339 4.406,340 3.609,341 6.55,342 4.081,343 3.106,344 4.02,345 1.277,346 10.363,347 3.04,348 3.982,349 3.294,350 6.004,351 3.735,352 2.746,353 3.457,354 0.916,355 8.51,356 2.727,357 3.94,358 3.017,359 5.616,360 3.665,361 2.682,362 3.308,363 0.8,364 7.786,365 2.618,366 3.598,367 2.557,368 5.331,369 3.455,370 2.457,371 2.636,372 0.172,373 6.945,374 2.452,375 3.21,376 2.352,377 5.108,378 3.041,379 2.085,380 2.287,382 5.942,383 1.985,384 3.127,385 2.223,386 4.953,387 2.948,388 1.975,389 2.205,391 5.83,392 1.913,393 2.899,394 1.869,395 4.219,396 2.585,397 1.59,398 2.019,400 3.878,401 1.579,402 2.819,403 1.658,404 4.159,405 2.53,406 1.523,407 1.911,409 3.623,410 1.53,411 2.714,412 1.52,413 3.601,414 2.414,415 1.42,416 1.725,418 3.04,419 1.411,420 2.5,421 1.445,422 3.592,423 2.25,424 1.257,425 1.5,427 2.974,428 1.244,429 2.481,430 1.088,431 3.414,432 2,433 1,434 1.47,436 2.275,437 1,438 2,439 1.077,440 3.247,441 1.984,442 1,443 1,445 2.136,446 0.983,447 1.903,448 1,449 3.233,450 1.794,451 0.807,452 0.861,454 1.68,455 0.796,456 1.76,457 0.87,458 3.103,459 1.613,460 0.602,461 0.662,463 1.336,464 0.606,465 1.618,466 0.608,467 2.805,468 1.466,469 0.464,470 0.521,472 0.938,473 0.464,474 15.133,475 0.488,476 0.533,477 0.017,478 32.75,479 1.056,480 14,481 0.452,482 18.75,483 0.605,484 33.128,485 1.069,486 34.667,487 0.502,488 20.977,489 0.677,490 5.607,491 0.181,492 9.617,493 0.31,494 0.055,496 0.251,501 0.731,502 1.362,503 1.002,504 1.193,505 0.547,506 1.126,507 1.088,508 1.164,509 1.094,510 1.082,511 0.593,512 1.077,513 1.074,514 1.076,515 1.054,516 1.054,517 0.874,518 1.049,519 1.131,520 1.037,521 1.046,522 1.036,523 1.143,524 1.036,525 0.96,526 0.935,527 0.91,528 0.936,529 1.022,530 0.922,531 1.42,532 0.939,533 1.044,534 0.972,535 1.79,536 0.987,537 1.194,538 1.047,539 1.12,540 1.093,541 1.601,542 1.108,543 0.805,544 1.03,545 0.987,546 1.048,547 0.938,548 1.035,549 5,550 0.147,551 2.889,552 1.417,553 1.227,554 0.761,555 0.569,556 0.382,557 0.225,558 0.183,559 15837,560 27496,561 2.123,562 55.1,563 10,564 18,568 2,569 8,572 1.729,573 2.044,574 3.913,575 -0.895,582 85.461,583 1.239,584 2.881,585 4.42,586 5.333,587 5.373,588 5.373,589 3.413,590 4.632,591 4.919,592 4.084,593 1899.06,594 8.553,595 29413.3,600 421.488,601 1.14,602 4.91,603 0.147,604 0.006,605 0.064,606 0.032,607 0.032,608 0.021,609 0.016,610 0.012,611 0.008,612 0.007,613 0.346,614 0.5,615 0.88,616 1.054,617 166.734,618 0.061,619 -0.125,620 0.067,621 -0.023,622 0.035,623 0.013,624 -0.067,625 -0.009,626 -0.046,627 -0.03,628 0.018,629 -0.034,630 -0.046,631 -0.039,632 -0.048,633 -0.05,634 0.032,635 -0.048,636 -0.05,637 -0.054,638 -0.055,639 -0.056,640 -0.034,641 -0.056,642 0.029,643 0.022,644 0.066,645 0.033,646 0.001,647 0.05,648 -0.002,649 0.041,650 -0.03,651 0.01,652 -0.093,653 -0.009,654 -0.014,655 -0.07,656 -0.124,657 -0.087,658 -0.121,659 -0.111,660 0.009,661 -0.078,662 -0.025,663 -0.06,664 -0.041,665 -0.047,666 1.334,667 5.861,668 0.677,669 42.422,670 0.977,671 1.126,672 4.867,673 23.692,674 0.64,675 3.555,676 3.829,677 4.078,678 4.304,679 4.511,680 4.554,681 4.691,682 4.779,683 4.762,684 4.82,685 8.811,686 0.583,687 418.68,688 3.555,689 5.069,690 5.9,691 6.751,692 7.6,693 8.46,694 9.318,695 10.183,696 11.047,697 11.916,698 2.9,701 1,704 1,715 8,720 4,722 12,727 1,736 1,741 69,743 13,744 2,745 34,747 72,748 28,749 12,750 4,751 8,752 1,756 4,757 5,763 1,767 3,768 1,770 8,772 13,773 15,774 1,777 1,782 1,786 1,793 38,794 3,796 3,802 2,808 0.75,809 1,828 1,829 3,832 1,855 1,859 3,864 1,868 31,876 13,880 1,881 2,893 1.4,896 1,901 15.167,902 12.317,903 7,904 4.897,907 2.027,908 1.259,909 0.971,910 7.94,911 9.862,912 3.738,913 4.205,914 4.682,915 5.142,916 5.608,917 5.695,918 5.97,919 6.07,920 6.054,921 6.198,922 0.909,923 44,924 11.594,926 4.837,927 0.026,929 7.376,931 23.51,933 19.976,936 1.876,937 58.167,941 447.302,942 132.887,943 6.249,945 25.145,948 132.887,949 472.447,950 6.249,951 8.825,952 30.805,953 75.81,954 30.278,955 18.562,957 447.302,959 447.302,960 139.136,961 25.145,964 353.133,965 119.314,968 42.754,969 96.381,972 447.302,973 31.394,974 132.887,977 447.302,978 48.252,979 90.884,981 25.145,982 447.302,983 31.394,984 132.887,986 0.564,987 0.323,988 0.171,989 0.095,990 20,991 8,992 0.139,993 10,994 1,995 1.095,996 4.511,997 260.951,998 0.095,999 21,1000 145.58,1005 22.241,1006 11.067,1007 6.054,1009 31.394,1010 17.202,1015 5.058,1018 611.582,1019 41,1024 12.861,1028 0.332,1031 67.436,1032 77.68,1034 0.203,1035 0.472,1036 0.724,1037 0.873,1038 0.88,1039 0.88,1040 4.963,1041 1.523,1042 5.844,1043 3.878,1044 4.511,1045 4.89,1046 1.906,1047 6.592,1048 4.479,1049 6.092,1050 1.42,1051 7.357,1052 3.623,1053 3.892,1054 4.443,1055 0.57,1056 7.357,1057 3.836,1058 7.35,1059 1.257,1060 8.971,1061 3.04,1062 6.038,1063 6.888,1064 2.047,1065 10.442,1066 5.969,1067 8.641,1068 1,1069 10.646,1070 2.974,1071 6.293,1072 7.312,1073 0.581,1074 12.087,1075 6.203,1076 9.97,1077 1,1078 12.363,1079 2.275,1080 7.842,1081 9.215,1082 2.367,1083 14.657,1084 7.737,1085 11.324,1086 0.807,1087 14.109,1088 2.136,1089 8.52,1090 10.059,1091 0.515,1092 16.677,1093 8.393,1094 12.698,1095 0.602,1096 15.876,1097 1.68,1098 9.81,1099 11.719,1100 2.767,1101 19.074,1102 9.668,1103 3.106,1104 0.464,1105 17.66,1106 1.336,1107 10.701,1108 12.787,1109 0.441,1110 21.262,1111 10.537,1112 2.746,1113 10.363,1114 19.456,1115 0.938,1116 11.878,1117 14.322,1118 3.207,1119 23.604,1120 11.696,1121 2.682,1122 8.51,1123 21.264,1124 4.02,1125 12.877,1126 15.516,1127 0.373,1128 25.868,1129 12.672,1130 2.457,1131 7.786,1132 23.08,1133 3.457,1134 14.007,1135 16.982,1136 3.669,1137 28.196,1138 13.783,1139 2.085,1140 6.945,1141 24.903,1142 3.308,1143 15.061,1144 18.252,1145 0.314,1146 30.495,1147 14.814,1148 1.975,1149 5.942,1150 26.734,1151 2.636,1152 16.175,1153 19.681,1154 4.143,1155 32.822,1156 15.907,1157 1.59,1158 5.83,1159 28.57,1160 2.287,1161 17.257,1162 20.996,1163 0.264,1164 35.139,1165 16.966,1166 14954,1167 19823,1168 23.345,1169 44.171,1170 49.755,1171 50.68,1172 50.641,1173 49.558,1174 49.518,1175 59.263,1176 6.333,1177 134.735,1178 48.78,1179 5.406,1180 5.609,1181 6.46,1182 5.116,1183 5.106,1184 7.02,1185 2.555,1186 17.143,1187 5.04,1188 10.877,1189 1.463,1190 1.491,1191 1.489,1192 1.458,1193 1.456,1194 1.743,1195 0.186,1196 3.963,1197 1.435,1198 4.048,1199 4.085,1200 3.986,1201 3.965,1202 7.427,1203 3.965,1204 3.946,1205 3.991,1206 3.862,1207 3.863,1208 4.762,1209 3.858,1210 3.828,1211 3.874,1212 3.714,1213 3.726,1214 4.716,1215 3.715,1216 3.709,1217 3.772,1218 3.566,1219 3.58,1220 4.318,1221 3.564,1222 3.578,1223 3.632,1224 3.446,1225 3.42,1226 4.198,1227 3.421,1228 3.379,1229 3.455,1230 3.222,1231 3.219,1232 4.031,1233 3.209,1234 3.246,1235 3.332,1236 3.048,1237 3.081,1238 3.89,1239 3.057,1240 3.165,1241 3.232,1242 2.996,1243 3.015,1244 3.753,1245 3.004,1246 0.13,1247 0.106,1248 0.193,1249 0.12,1250 0.091,1251 4.406,1252 0.118,1253 3.609,1254 0.038,1255 6.55,1256 0.305,1257 4.081,1258 0.089,1259 3.106,1260 4.02,1261 1.277,1262 10.363,1263 3.04,1264 1.945,1265 1.914,1266 2.106,1267 2.072,1268 1.485,1269 2.087,1270 1.917,1271 1.889,1272 2.031,1273 2.005,1274 1.328,1275 2.013,1276 1.828,1277 1.781,1278 2.008,1279 1.945,1280 1.21,1281 1.968,1282 1.739,1283 1.672,1284 1.978,1285 1.907,1286 1.157,1287 1.936,1288 1.504,1289 1.437,1290 1.778,1291 1.719,1292 1.054,1293 1.745,1294 1.488,1295 1.424,1296 1.727,1297 1.681,1298 0.993,1299 1.699,1300 1.278,1301 1.2,1302 1.606,1303 1.485,1304 0.833,1305 1.531,1306 1.187,1307 1.121,1308 1.513,1309 1.394,1310 0.825,1311 1.429,1312 4.234,1314 5.517,1315 2.398,1316 6.993,1317 4.727,1318 8.555,1319 6.823,1320 10.164,1322 2.254,1328 14.707,1332 0.694,1333 5.058,1340 40.24,1341 85.461,1342 198.772,1343 304.959,1344 367.978,1345 370.733,1346 370.733,1347 52.929,1348 7.835,1349 23.55,1350 23.55,1351 23,1352 12.461,1353 3.807,1354 3,1355 49.94,1356 164,1357 174,1358 0.145,1359 246.875,1360 434.03,1361 594.136,1362 32238,1364 21.468,1365 0.693,1366 0.619,1367 21.468,1368 19.191,1369 15.225,1370 0.448,1371 0.365,1372 12.326,1373 14.954,1374 12.01,1375 9.984,1376 15.225,1377 12.4,1378 13.011,1379 0.289,1380 0.21,1381 13.011,1382 9.455,1383 10.967,1384 0.189,1385 0.123,1386 10.967,1387 7.161,1388 8.835,1389 0.121,1390 0.071,1391 8.835,1392 5.183,1393 7.147,1394 0.079,1395 0.041,1396 7.147,1397 3.734,1398 0.239,1399 93.113,1400 0.207,1401 30.214,1402 0.367,1403 158,1404 319.026,1405 164.6,1406 317.019,1407 441.22,1408 300,1409 182,1410 323.566,1411 189.655,1412 332.493,1413 484.57,1414 315,1415 7.328}
{0 CHEMBL73447,1 1.354,2 13.321,3 4.349,4 18.91,5 115.941,6 6.527,7 0.387,8 4.13,9 4.258,10 3.594,11 3.683,12 5.075,13 3.632,14 4.724,15 4.918,16 3.922,17 4.105,18 5.585,19 4.021,20 5.009,21 5.242,22 3.933,23 4.26,24 5.839,25 4.125,26 5.078,27 5.344,28 3.792,29 4.221,30 5.854,31 4.049,32 5.024,33 5.31,34 3.714,35 4.123,36 5.769,37 3.948,38 4.884,39 5.135,40 3.692,41 4.035,42 5.754,43 3.886,44 4.866,45 5.125,46 3.562,47 3.982,48 5.677,49 3.82,50 4.772,51 5.042,52 3.437,53 3.923,54 5.443,55 3.736,56 0.054,57 0.806,58 13.664,59 5.83,60 7.612,61 8.074,62 0.198,63 1.363,64 25.582,65 9.77,66 17.797,67 13.894,68 0.254,69 1.698,70 34.145,71 13.239,72 32.972,73 18.888,74 0.285,75 1.725,76 36.824,77 14.14,78 38.333,79 20.296,80 0.335,81 1.586,82 35.066,83 13.306,84 32.864,85 19.173,86 0.311,87 1.407,88 30.52,89 11.49,90 38.638,91 16.278,92 0.384,93 1.355,94 30.281,95 10.984,96 41.415,97 15.569,98 0.198,99 1.266,100 26.893,101 10.612,102 21.325,103 15.246,104 6,105 42,106 0.222,107 0.535,108 0.766,109 0.864,110 0.864,111 0.864,112 3.374,113 1.013,114 -4.75,115 -4.66,116 -4.38,121 41.4,123 5,124 1,126 1,127 4,144 7,145 3,146 2,159 1,176 13,180 7,185 3,187 14,192 8,197 2,200 11,206 6,211 1,214 8,218 1,219 5,227 12,235 1,237 1,239 12,243 1,244 3,249 1,251 11,256 3,261 1,264 6,269 4,274 2,277 3,281 1264,282 19.334,283 19.334,284 19.334,285 19.334,286 19.334,287 17.794,288 26.061,289 11.473,290 19.652,291 15.259,292 15.259,293 15.259,294 15.259,295 15.259,296 12.778,297 32.543,298 5.405,299 15.653,300 4.504,301 2.602,302 1.197,303 0.599,304 0.599,305 0.599,306 4.075,311 1,312 1,313 820,314 3.24,317 77.449,318 285.888,321 133.57,325 2.227,326 18.602,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 59,338 373,339 4.342,340 3.607,341 6.257,342 3.986,343 2.989,344 3.981,345 1.277,346 9.438,347 2.985,348 4.083,349 3.075,350 5.904,351 3.739,352 2.773,353 3.674,354 0.916,355 8.172,356 2.686,357 3.908,358 3.06,359 5.691,360 3.635,361 2.634,362 3.247,363 0.86,364 8.016,365 2.632,366 3.649,367 2.812,368 5.435,369 3.521,370 2.54,371 2.735,372 0.4,373 7.226,374 2.493,375 3.381,376 2.446,377 5.176,378 3.181,379 2.229,380 2.528,381 0.172,382 6.493,383 2.106,384 3.067,385 2.146,386 4.792,387 2.83,388 1.879,389 2.127,391 5.362,392 1.779,393 2.893,394 1.958,395 4.405,396 2.528,397 1.535,398 2.028,400 4.285,401 1.526,402 2.849,403 1.759,404 4.163,405 2.492,406 1.488,407 1.891,409 3.775,410 1.484,411 2.666,412 1.336,413 3.498,414 2.202,415 1.213,416 1.737,418 2.635,419 1.197,420 2.178,421 1.251,422 3.437,423 2.021,424 1.056,425 1.151,427 2.384,428 1.017,429 2,430 1.086,431 3.414,432 1.984,433 1,434 1,436 2.275,437 0.983,438 1.769,439 1.077,440 3.148,441 1.614,442 0.601,443 0.67,445 1.398,446 0.605,447 1.618,448 0.936,449 3.002,450 1.353,451 0.431,452 0.483,454 0.899,455 0.371,456 1.584,457 0.601,458 2.841,459 1.295,460 0.365,461 0.433,463 0.626,464 0.357,465 1.215,466 0.372,467 2.669,468 1.026,469 0.039,470 0.044,472 0.099,473 0.038,474 13.467,475 0.481,476 0.55,477 0.02,478 32,479 1.143,480 14.5,481 0.518,482 17.5,483 0.625,484 26.219,485 0.936,486 30.933,487 0.533,488 21.109,489 0.754,490 5.973,491 0.213,492 7.735,493 0.276,494 0.062,496 0.29,501 0.779,502 1.304,503 0.909,504 1.15,505 0.563,506 1.055,507 1.118,508 1.084,509 1.031,510 1.007,511 0.65,512 1,513 0.968,514 1.121,515 1.084,516 1.12,517 0.903,518 1.112,519 0.913,520 1.064,521 1.042,522 1.087,523 1.131,524 1.08,525 0.832,526 0.899,527 0.891,528 0.923,529 1.032,530 0.918,531 1.124,532 1.04,533 1.044,534 1.062,535 1.781,536 1.052,537 1.436,538 0.909,539 1.145,540 0.953,541 1.699,542 1.015,543 0.775,544 1.059,545 1.036,546 1.087,547 0.535,548 1.092,549 5.5,550 0.098,551 2.667,552 1.257,553 1.213,554 0.739,555 0.453,556 0.251,557 0.219,558 0.143,559 12016,560 25263,561 2.137,562 51.7,563 3,564 18,567 1,568 2,569 6,572 1.702,573 2.049,574 3.695,575 -0.429,577 1,582 78.517,583 1.354,584 3.256,585 4.661,586 5.259,587 5.259,588 5.259,589 3.128,590 4.45,591 4.78,592 3.889,593 1470.13,594 8.263,595 20839.7,597 1,599 1,600 339.763,601 1.198,602 4.76,603 0.177,604 0.005,605 0.063,606 0.031,607 0.037,608 0.024,609 0.015,610 0.01,611 0.01,612 0.007,613 0.379,614 0.33,615 1,616 0.615,617 144.904,618 0.011,619 -0.094,620 0.066,621 -0.021,622 0.027,623 0.02,624 -0.108,625 0.047,626 -0.034,627 0.028,628 0.011,629 0.011,630 -0.07,631 -0.085,632 -0.109,633 -0.106,634 0.011,635 -0.109,636 -0.039,637 -0.097,638 -0.074,639 -0.1,640 -0.049,641 -0.091,642 0.061,643 0.03,644 0.08,645 0.048,646 -0.009,647 0.062,648 0.008,649 -0.07,650 -0.05,651 -0.075,652 -0.097,653 -0.071,654 -0.121,655 0.049,656 -0.134,657 0.012,658 -0.19,659 -0.054,660 -0.036,661 -0.103,662 -0.082,663 -0.091,664 -0.044,665 -0.093,666 1.367,667 5.61,668 0.75,669 30.439,670 0.987,671 1.125,672 3.516,673 12.363,674 0.648,675 3.466,676 3.761,677 4.007,678 4.22,679 4.407,680 4.419,681 4.5,682 4.554,683 4.533,684 4.605,685 7.903,686 0.601,687 378.56,688 3.466,689 4.99,690 5.826,691 6.681,692 7.528,693 8.385,694 9.235,695 10.093,696 10.945,697 11.803,698 3.4,701 1,703 1,715 7,720 5,722 12,727 1,734 1,739 1,741 58,743 13,744 2,745 31,747 61,748 24,749 12,750 5,751 7,752 1,756 4,757 5,767 3,768 1,770 5,772 13,773 11,774 1,777 1,782 1,786 1,790 1,793 30,794 4,795 1,796 4,802 2,808 0.75,809 2,828 1,829 3,832 1,855 1,859 3,864 1,868 28,876 9,877 1,878 1,880 1,881 1,893 3.4,896 1,898 1,901 13.667,902 10.45,903 6.222,904 3.738,907 2.063,908 1.273,909 0.982,910 6.211,911 9.621,912 3.664,913 4.174,914 4.668,915 5.133,916 5.594,917 5.666,918 5.823,919 5.834,920 5.751,921 5.9,922 0.889,923 40,924 10.429,926 4.398,927 0.026,929 7.494,931 20.771,933 17.59,936 1.994,937 55.833,939 1,940 1,941 341.362,942 121.003,943 21.135,945 36.145,948 121.003,949 377.507,950 21.135,951 10.883,952 21.095,953 66.334,954 48.289,955 31.681,957 341.362,959 341.362,960 142.138,961 36.145,964 270.735,965 106.771,968 24.22,969 99.907,970 18.011,972 341.362,973 57.28,974 121.003,977 341.362,978 43.786,979 80.341,980 18.011,981 36.145,982 341.362,983 57.28,984 121.003,986 0.574,987 0.335,988 0.174,989 0.093,990 20,991 8,992 0.115,993 7,994 1,995 1.095,996 4.212,997 230.322,998 0.095,999 21,1000 130.606,1005 19.322,1006 9,1007 4.899,1009 57.28,1010 14.472,1015 5.599,1017 18.011,1018 519.644,1019 38,1024 12.61,1028 0.3,1031 57.229,1032 65.228,1034 0.231,1035 0.556,1036 0.796,1037 0.898,1038 0.898,1039 0.898,1040 4.898,1041 1.488,1042 5.784,1043 4.285,1044 4.443,1045 4.86,1046 2.024,1047 6.532,1048 4.401,1049 6.051,1050 1.213,1051 7.302,1052 3.775,1053 3.892,1054 4.527,1055 0.325,1056 7.273,1057 3.845,1058 7.325,1059 1.056,1060 8.912,1061 2.635,1062 5.984,1063 6.914,1064 2.132,1065 10.313,1066 5.913,1067 8.63,1068 1,1069 10.576,1070 2.384,1071 6.256,1072 7.401,1073 0.393,1074 11.858,1075 6.184,1076 9.967,1077 0.601,1078 12.274,1079 2.275,1080 7.771,1081 9.267,1082 2.417,1083 14.376,1084 7.681,1085 11.324,1086 0.431,1087 13.995,1088 1.398,1089 8.429,1090 10.14,1091 0.384,1092 16.267,1093 8.34,1094 12.698,1095 0.365,1096 15.732,1097 0.899,1098 9.694,1099 11.777,1100 2.793,1101 18.593,1102 9.593,1103 2.989,1104 0.039,1105 17.482,1106 0.626,1107 10.548,1108 12.856,1109 0.351,1110 20.649,1111 10.447,1112 2.773,1113 9.438,1114 19.241,1115 0.099,1116 11.697,1117 14.374,1118 3.22,1119 22.902,1120 11.589,1121 2.634,1122 8.172,1123 21.007,1124 3.981,1125 12.651,1126 15.568,1127 0.312,1128 25.039,1129 12.543,1130 2.54,1131 8.016,1132 22.78,1133 3.674,1134 13.75,1135 17.021,1136 3.676,1137 27.266,1138 13.636,1139 2.229,1140 7.226,1141 24.559,1142 3.247,1143 14.757,1144 18.284,1145 0.273,1146 29.446,1147 14.643,1148 1.879,1149 6.493,1150 26.342,1151 2.735,1152 15.834,1153 19.7,1154 4.146,1155 31.667,1156 15.717,1157 1.535,1158 5.362,1159 28.129,1160 2.528,1161 16.869,1162 21.003,1163 0.236,1164 33.87,1165 16.753,1166 11186,1167 16305,1168 21.266,1169 37.58,1170 45.651,1171 47.149,1172 46.453,1173 45.492,1174 45.538,1175 55.453,1176 7.253,1177 126.167,1178 44.518,1179 5.342,1180 5.607,1181 5.85,1182 5.021,1183 4.989,1184 6.981,1185 2.555,1186 15.798,1187 4.985,1188 10.037,1189 1.473,1190 1.521,1191 1.498,1192 1.467,1193 1.469,1194 1.789,1195 0.234,1196 4.07,1197 1.436,1198 4.032,1199 4.067,1200 3.969,1201 3.951,1202 7.427,1203 3.951,1204 3.95,1205 3.99,1206 3.879,1207 3.864,1208 4.867,1209 3.863,1210 3.832,1211 3.875,1212 3.72,1213 3.724,1214 4.746,1215 3.715,1216 3.586,1217 3.635,1218 3.486,1219 3.422,1220 4.41,1221 3.428,1222 3.365,1223 3.434,1224 3.221,1225 3.202,1226 4.287,1227 3.195,1228 3.259,1229 3.323,1230 3.086,1231 3.04,1232 4.084,1233 3.04,1234 3.138,1235 3.209,1236 2.973,1237 2.941,1238 3.877,1239 2.932,1240 3.111,1241 3.206,1242 2.866,1243 2.932,1244 3.691,1245 2.91,1246 0.14,1247 0.116,1248 0.202,1249 0.129,1250 0.096,1251 4.342,1252 0.128,1253 3.607,1254 0.041,1255 6.257,1256 0.304,1257 3.986,1258 0.096,1259 2.989,1260 3.981,1261 1.277,1262 9.438,1263 2.985,1264 1.942,1265 1.912,1266 2.103,1267 2.073,1268 1.485,1269 2.085,1270 1.912,1271 1.889,1272 2.016,1273 1.999,1274 1.21,1275 2.005,1276 1.825,1277 1.78,1278 1.979,1279 1.943,1280 1.158,1281 1.956,1282 1.493,1283 1.438,1284 1.749,1285 1.698,1286 1.027,1287 1.719,1288 1.461,1289 1.385,1290 1.71,1291 1.684,1292 0.938,1293 1.696,1294 1.238,1295 1.181,1296 1.577,1297 1.524,1298 0.825,1299 1.541,1300 1.153,1301 1.079,1302 1.513,1303 1.386,1304 0.687,1305 1.429,1306 1.151,1307 1.064,1308 1.44,1309 1.376,1310 0.568,1311 1.405,1312 4.143,1314 5.442,1315 2.398,1316 6.93,1317 4.595,1318 8.499,1319 6.581,1320 10.109,1322 1.714,1328 9.279,1329 3.355,1330 5.322,1332 0.668,1333 2.514,1340 34.848,1341 78.517,1342 188.843,1343 270.337,1344 305.008,1345 305.008,1346 305.008,1347 44.305,1348 7.559,1349 41.57,1350 41.57,1351 23,1352 12.356,1353 3.807,1354 3,1355 42.884,1356 135,1357 120,1358 0.152,1359 212.502,1360 373.62,1361 510.266,1362 22716,1364 19.347,1365 0.691,1366 0.598,1367 19.347,1368 16.746,1369 13.708,1370 0.442,1371 0.338,1372 10.356,1373 13.31,1374 10.092,1375 8.343,1376 13.708,1377 10.464,1378 12.008,1379 0.286,1380 0.192,1381 12.008,1382 8.082,1383 10.267,1384 0.19,1385 0.114,1386 10.267,1387 6.164,1388 8.204,1389 0.122,1390 0.066,1391 8.204,1392 4.42,1393 6.511,1394 0.08,1395 0.039,1396 6.511,1397 3.145,1398 0.249,1399 85.006,1400 0.217,1401 27.593,1402 0.388,1403 146,1404 347.449,1405 154.785,1406 336.437,1407 462.01,1408 318,1409 169,1410 332.985,1411 178.147,1412 341.62,1413 494.63,1414 321,1415 5.572}
{0 CHEMBL73593,1 1.285,2 13.185,3 4.821,4 23.244,5 114.079,6 6.361,7 0.4,8 4.103,9 4.238,10 3.547,11 3.685,12 5.009,13 3.62,14 4.702,15 4.899,16 3.871,17 4.114,18 5.525,19 4.011,20 5.036,21 5.285,22 3.904,23 4.28,24 5.817,25 4.128,26 5.09,27 5.369,28 3.734,29 4.214,30 5.829,31 4.026,32 4.986,33 5.279,34 3.671,35 4.096,36 5.73,37 3.915,38 4.838,39 5.098,40 3.606,41 4.007,42 5.668,43 3.848,44 4.785,45 5.04,46 3.483,47 3.946,48 5.629,49 3.771,50 4.72,51 5.007,52 3.343,53 3.855,54 5.388,55 3.654,56 0.062,57 0.793,58 13.547,59 5.776,60 7.145,61 8.184,62 0.157,63 1.366,64 24.994,65 9.873,66 14.51,67 14.311,68 0.236,69 1.76,70 34.956,71 13.747,72 30.903,73 19.877,74 0.274,75 1.762,76 36.935,77 14.274,78 36.52,79 20.667,80 0.291,81 1.562,82 33.267,83 12.888,84 33.548,85 18.68,86 0.238,87 1.363,88 28.888,89 11.159,90 30.271,91 15.834,92 0.292,93 1.28,94 27.472,95 10.676,96 37.733,97 15.054,98 0.158,99 1.211,100 25.194,101 10.158,102 21.081,103 14.707,104 2,105 40,106 0.212,107 0.508,108 0.71,109 0.83,110 0.846,111 0.846,112 3.339,113 1.044,114 -5.29,115 -5.17,116 -4.84,121 42.1,123 6,124 1,127 4,144 8,145 3,146 1,159 1,176 16,180 5,185 3,187 17,192 6,197 3,200 13,206 5,211 1,214 9,219 5,222 1,224 1,227 12,232 1,237 1,239 14,243 1,244 2,249 1,251 12,256 2,261 2,264 9,269 2,277 7,281 1130,282 18.723,283 18.723,284 18.723,285 18.723,286 18.723,287 17.156,288 23.58,289 11.351,290 18.863,291 14.848,292 14.848,293 14.848,294 14.848,295 14.848,296 12.444,297 29.48,298 5.456,299 15.055,300 4.548,301 2.754,302 1.527,303 0.798,304 0.702,305 0.702,306 4.044,311 1,312 1,313 787,314 3,318 351.269,322 134.967,325 2.118,326 16.124,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 56,338 356,339 4.334,340 3.606,341 6.25,342 3.974,343 2.976,344 3.975,345 1.277,346 9.417,347 2.974,348 3.942,349 3.046,350 5.899,351 3.698,352 2.73,353 3.457,354 0.916,355 8.157,356 2.661,357 3.898,358 3.017,359 5.616,360 3.605,361 2.598,362 3.239,363 0.4,364 7.783,365 2.595,366 3.595,367 2.557,368 5.329,369 3.446,370 2.446,371 2.634,372 0.172,373 6.937,374 2.445,375 3.178,376 2.225,377 4.955,378 3.027,379 2.072,380 2.25,382 5.867,383 1.969,384 2.924,385 1.975,386 4.448,387 2.588,388 1.618,389 2.063,391 4.433,392 1.576,393 2.885,394 1.874,395 4.167,396 2.561,397 1.554,398 1.974,400 3.791,401 1.552,402 2.805,403 1.52,404 3.608,405 2.415,406 1.42,407 1.863,409 3.042,410 1.412,411 2.5,412 1.445,413 3.591,414 2.296,415 1.298,416 1.5,418 2.934,419 1.292,420 2.451,421 1.089,422 3.414,423 2,424 1,425 1.444,427 2.275,428 1,429 2,430 1.077,431 3.247,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.884,439 1,440 3.188,441 1.688,442 0.701,443 0.805,445 1.618,446 0.69,447 1.743,448 0.81,449 3.07,450 1.537,451 0.523,452 0.599,454 1.225,455 0.527,456 1.216,457 0.372,458 2.766,459 1.031,460 0.046,461 0.051,463 0.114,464 0.045,465 0.868,466 -0.053,467 2.393,468 0.542,469 -0.448,470 -0.517,472 -1.08,473 -0.443,474 13.133,475 0.486,476 0.482,477 0.018,478 30.5,479 1.13,480 14,481 0.519,482 16.5,483 0.611,484 25.399,485 0.941,486 29.467,487 0.517,488 19.205,489 0.711,490 5.489,491 0.203,492 7.787,493 0.288,494 0.025,496 0.259,501 0.745,502 1.253,503 0.945,504 1.103,505 0.536,506 1.045,507 0.981,508 1.154,509 1.075,510 1.088,511 0.591,512 1.079,513 1.014,514 1.106,515 1.064,516 1.09,517 0.877,518 1.08,519 1.115,520 1.039,521 1.048,522 1.043,523 1.153,524 1.043,525 0.901,526 0.877,527 0.877,528 0.895,529 1.024,530 0.887,531 1.507,532 0.974,533 1.072,534 1.012,535 1.844,536 1.015,537 1.609,538 1.009,539 1.179,540 1.059,541 2.167,542 1.096,543 0.746,544 1.045,545 0.969,546 1.04,547 0.821,548 1.028,549 4.5,550 0.099,551 2.444,552 0.875,553 1.249,554 0.618,555 0.343,556 0.266,557 0.176,558 0.102,559 10960,560 20751,561 2.165,562 52.6,563 5,564 16,567 1,568 2,569 6,572 1.692,573 2.104,574 3.68,575 -0.455,582 73.229,583 1.285,584 3.079,585 4.306,586 5.034,587 5.131,588 5.131,589 3.134,590 4.385,591 4.727,592 3.848,593 1350.54,594 8.158,595 18485.1,597 1,600 332.475,601 1.038,602 4.719,603 0.15,604 0.005,605 0.061,606 0.022,607 0.04,608 0.021,609 0.012,610 0.011,611 0.008,612 0.005,613 0.336,614 0.5,615 1,616 0.352,617 137.806,618 0.016,619 -0.055,620 0.062,621 0.014,622 0.028,623 0.035,624 -0.074,625 -0.021,626 -0.071,627 -0.051,628 0.011,629 -0.057,630 -0.048,631 -0.086,632 -0.077,633 -0.091,634 0.019,635 -0.086,636 -0.052,637 -0.08,638 -0.065,639 -0.075,640 -0.042,641 -0.072,642 0.118,643 0.062,644 0.101,645 0.066,646 0.046,647 0.081,648 -0.1,649 -0.007,650 -0.064,651 -0.032,652 -0.145,653 -0.042,654 -0.081,655 -0.052,656 -0.166,657 -0.074,658 -0.213,659 -0.123,660 0.013,661 -0.107,662 -0.011,663 -0.059,664 -0.043,665 -0.042,666 1.364,667 5.64,668 0.815,669 28.936,670 0.981,671 1.123,672 4.056,673 16.451,674 0.651,675 3.434,676 3.714,677 3.951,678 4.159,679 4.407,680 4.357,681 4.443,682 4.522,683 4.585,684 4.533,685 7.646,686 0.599,687 362.56,688 3.434,689 4.949,690 5.778,691 6.624,692 7.466,693 8.315,694 9.161,695 10.012,696 10.861,697 11.713,698 3.5,701 1,703 1,715 8,720 4,722 12,727 1,734 1,741 57,743 13,744 2,745 30,747 60,748 24,749 12,750 4,751 8,752 1,756 4,757 5,767 4,768 1,770 6,772 13,773 11,774 1,777 1,782 1,786 1,793 30,794 3,795 1,796 3,802 2,808 0.75,809 1,829 4,833 1,855 1,859 3,868 27,876 10,877 1,880 1,881 1,893 1.8,896 1,901 12.833,902 9.867,903 5.972,904 3.835,907 2.006,908 1.268,909 0.992,910 6.011,911 9.488,912 3.638,913 4.127,914 4.605,915 5.056,916 5.545,917 5.549,918 5.738,919 5.793,920 5.907,921 5.842,922 0.889,923 39,924 10.082,926 4.27,927 0.026,929 7.432,931 20.278,933 17.369,936 1.932,937 52.167,939 1,940 1,941 341.362,942 116.887,943 21.135,945 25.145,948 116.887,949 366.507,950 21.135,952 23.63,953 75.81,954 48.289,955 15.438,957 341.362,959 341.362,960 138.022,961 25.145,964 270.735,965 95.772,968 26.754,969 93.257,970 18.011,972 341.362,973 46.28,974 116.887,977 341.362,978 41.077,979 78.934,980 18.011,981 25.145,982 341.362,983 46.28,984 116.887,986 0.571,987 0.327,988 0.172,989 0.098,990 19,991 7,992 0.1,993 6,994 1,995 1.091,996 4.155,997 218.971,998 0.091,999 22,1000 120.382,1005 18.404,1006 8.818,1007 4.855,1009 46.28,1010 16.947,1015 4.793,1017 18.011,1018 504.529,1019 37,1024 12.64,1028 0.303,1031 55.901,1032 64.019,1034 0.22,1035 0.528,1036 0.738,1037 0.863,1038 0.88,1039 0.88,1040 4.86,1041 1.42,1042 5.72,1043 3.791,1044 4.394,1045 4.812,1046 1.806,1047 6.45,1048 4.37,1049 5.998,1050 1.298,1051 7.223,1052 3.042,1053 3.761,1054 4.369,1055 0.325,1056 7.154,1057 3.737,1058 7.258,1059 1,1060 8.822,1061 2.934,1062 5.911,1063 6.831,1064 1.993,1065 10.213,1066 5.866,1067 8.547,1068 1,1069 10.48,1070 2.275,1071 6.111,1072 7.231,1073 0.393,1074 11.75,1075 6.075,1076 9.871,1077 0.701,1078 12.174,1079 2.136,1080 7.679,1081 9.157,1082 2.342,1083 14.28,1084 7.621,1085 11.218,1086 0.523,1087 13.894,1088 1.618,1089 8.288,1090 9.968,1091 0.384,1092 16.172,1093 8.24,1094 12.583,1095 0.046,1096 15.632,1097 1.225,1098 9.587,1099 11.645,1100 2.756,1101 18.506,1102 9.522,1103 2.976,1104 -0.448,1105 17.384,1106 0.114,1107 10.41,1108 12.681,1109 0.351,1110 20.564,1111 10.352,1112 2.73,1113 9.417,1114 19.146,1115 -1.08,1116 11.579,1117 14.226,1118 3.203,1119 22.822,1120 11.509,1121 2.598,1122 8.157,1123 20.915,1124 3.975,1125 12.515,1126 15.393,1127 0.312,1128 24.962,1129 12.45,1130 2.446,1131 7.783,1132 22.692,1133 3.457,1134 13.623,1135 16.862,1136 3.667,1137 27.193,1138 13.55,1139 2.072,1140 6.937,1141 24.473,1142 3.239,1143 14.619,1144 18.109,1145 0.273,1146 29.375,1147 14.549,1148 1.618,1149 5.867,1150 26.259,1151 2.634,1152 15.701,1153 19.536,1154 4.143,1155 31.599,1156 15.626,1157 1.554,1158 4.433,1159 28.05,1160 2.25,1161 16.731,1162 20.832,1163 0.236,1164 33.804,1165 16.658,1166 10131,1167 14024,1168 20.86,1169 37.126,1170 44.212,1171 45.217,1172 44.428,1173 43.98,1174 43.966,1175 53.706,1176 5.533,1177 119.46,1178 43.442,1179 5.334,1180 5.606,1181 6.052,1182 5.012,1183 4.976,1184 6.975,1185 2.555,1186 15.798,1187 4.974,1188 6.519,1189 1.474,1190 1.507,1191 1.481,1192 1.466,1193 1.466,1194 1.79,1195 0.184,1196 3.982,1197 1.448,1198 4.026,1199 4.062,1200 3.959,1201 3.946,1202 7.427,1203 3.945,1204 3.941,1205 3.985,1206 3.859,1207 3.862,1208 4.762,1209 3.856,1210 3.825,1211 3.872,1212 3.711,1213 3.724,1214 4.724,1215 3.713,1216 3.612,1217 3.662,1218 3.503,1219 3.466,1220 4.318,1221 3.465,1222 3.409,1223 3.48,1224 3.254,1225 3.256,1226 4.127,1227 3.246,1228 3.19,1229 3.253,1230 3.055,1231 3.033,1232 3.896,1233 3.027,1234 3.111,1235 3.206,1236 2.882,1237 2.941,1238 3.756,1239 2.91,1240 3.047,1241 3.138,1242 2.866,1243 2.867,1244 3.674,1245 2.86,1246 0.144,1247 0.12,1248 0.208,1249 0.132,1250 0.099,1251 4.334,1252 0.132,1253 3.606,1254 0.043,1255 6.25,1256 0.314,1257 3.974,1258 0.099,1259 2.976,1260 3.975,1261 1.277,1262 9.417,1263 2.974,1264 1.983,1265 1.956,1266 2.114,1267 2.09,1268 1.485,1269 2.1,1270 1.932,1271 1.895,1272 2.083,1273 2.057,1274 1.344,1275 2.069,1276 1.838,1277 1.789,1278 2.013,1279 1.952,1280 1.169,1281 1.975,1282 1.594,1283 1.544,1284 1.809,1285 1.773,1286 1.051,1287 1.785,1288 1.414,1289 1.346,1290 1.673,1291 1.599,1292 0.913,1293 1.628,1294 1.182,1295 1.12,1296 1.513,1297 1.385,1298 0.825,1299 1.429,1300 1.153,1301 1.064,1302 1.453,1303 1.376,1304 0.683,1305 1.41,1306 1.039,1307 0.961,1308 1.344,1309 1.288,1310 0.551,1311 1.313,1312 4.111,1314 5.398,1316 6.887,1318 8.459,1320 10.072,1328 10.817,1329 3.43,1332 0.691,1333 2.544,1340 34.133,1341 73.229,1342 175.481,1343 245.455,1344 286.965,1345 292.475,1346 292.475,1347 41.807,1348 7.482,1349 32.34,1350 32.34,1351 24,1352 12.27,1353 3.807,1354 3,1355 40.629,1356 126,1357 113,1358 0.155,1359 208.506,1360 364.83,1361 500.515,1362 20700,1364 18.476,1365 0.684,1366 0.597,1367 18.476,1368 16.123,1369 13.276,1370 0.443,1371 0.348,1372 10.375,1373 13.035,1374 10.147,1375 8.383,1376 13.276,1377 10.44,1378 11.559,1379 0.289,1380 0.202,1381 11.559,1382 8.069,1383 9.773,1384 0.192,1385 0.12,1386 9.773,1387 6.106,1388 7.811,1389 0.124,1390 0.07,1391 7.811,1392 4.389,1393 6.629,1394 0.082,1395 0.041,1396 6.629,1397 3.337,1398 0.253,1399 81.3,1400 0.219,1401 26.766,1402 0.396,1403 140,1404 295.714,1405 145.906,1406 294.232,1407 407.4,1408 278,1409 161,1410 296.439,1411 167.49,1412 305.107,1413 442.61,1414 289,1415 6.783}
{0 CHEMBL73800,1 1.244,2 14.278,3 8.064,4 65.028,5 151.205,6 6.469,7 0.537,8 4.374,9 4.51,10 3.841,11 3.974,12 5.269,13 3.911,14 4.969,15 5.163,16 4.188,17 4.408,18 5.787,19 4.309,20 5.295,21 5.556,22 4.296,23 4.556,24 6.046,25 4.431,26 5.282,27 5.538,28 4.24,29 4.53,30 6.053,31 4.401,32 5.28,33 5.529,34 4.156,35 4.555,36 6.007,37 4.405,38 5.352,39 5.617,40 4.015,41 4.574,42 6.006,43 4.376,44 5.377,45 5.681,46 3.82,47 4.485,48 5.955,49 4.246,50 5.228,51 5.548,52 3.643,53 4.297,54 5.77,55 4.055,56 0.087,57 1.063,58 17.46,59 7.319,60 10.481,61 10.488,62 0.175,63 1.827,64 32.127,65 12.972,66 20.144,67 18.854,68 0.299,69 2.396,70 45.307,71 16.913,72 33.501,73 25.21,74 0.404,75 2.406,76 45.096,77 15.935,78 38.117,79 23.97,80 0.328,81 2.366,82 44.643,83 16.731,84 31.808,85 24.806,86 0.281,87 2.424,88 47.498,89 19.425,90 30.483,91 28.234,92 0.298,93 2.361,94 48.839,95 20.223,96 32.186,97 29.37,98 0.239,99 1.998,100 42.137,101 17.225,102 26.435,103 25.168,105 56,106 0.192,107 0.472,108 0.611,109 0.719,110 0.744,111 0.744,112 3.615,113 1.037,114 -5.83,115 -5.69,116 -5.3,121 43.2,123 12,127 2,144 8,145 4,146 2,148 4,176 19,180 8,185 6,187 20,192 8,197 6,200 13,206 4,209 2,211 10,214 16,224 6,227 24,232 2,239 28,244 2,248 1,251 24,256 2,264 16,269 2,274 4,277 12,281 2244,282 25.518,283 25.518,284 25.518,285 25.518,286 25.518,287 22.943,288 23.565,289 15.646,290 25.741,291 20.356,292 20.356,293 20.356,294 20.356,295 20.356,296 16.308,297 24.816,298 7.489,299 20.739,300 4.965,301 3.143,302 2.243,303 1.541,304 1.378,305 1.378,306 4.344,312 1,313 1170,314 3.606,318 499.509,322 570.631,325 1.883,326 15.717,329 0.75,330 0.5,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.77,337 74,338 514,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.4,346 11.348,347 3.162,348 4.64,349 3.361,350 6.829,351 4.206,352 3.226,353 4.564,354 0.4,355 11.348,356 3.162,357 3.914,358 2.669,359 5.982,360 3.524,361 2.532,362 3.437,364 8.37,365 2.512,366 3.914,367 2.668,368 5.982,369 3.524,370 2.532,371 3.437,373 8.37,374 2.512,375 3.523,376 2.359,377 5.381,378 3.141,379 2.186,380 2.893,382 6.711,383 2.085,384 3.521,385 2.353,386 5.381,387 3.13,388 2.177,389 2.892,391 6.711,392 2.073,393 2.942,394 1.909,395 4.116,396 2.833,397 1.842,398 2.143,400 3.811,401 1.825,402 2.939,403 1.745,404 4.116,405 2.534,406 1.556,407 2.142,409 3.458,410 1.52,411 2.871,412 1.599,413 4,414 2.513,415 1.523,416 1.884,418 3.329,419 1.505,420 2.646,421 1.503,422 3.947,423 2.447,424 1.463,425 1.684,427 3.329,428 1.436,429 2.593,430 1.448,431 3.78,432 2.345,433 1.347,434 1.623,436 3.281,437 1.343,438 2.504,439 1.425,440 3.624,441 2.345,442 1.347,443 1.505,445 3.046,446 1.343,447 2.488,448 1.35,449 3.594,450 2.242,451 1.247,452 1.487,454 2.902,455 1.24,456 2.466,457 1.35,458 3.594,459 2.242,460 1.247,461 1.465,463 2.902,464 1.24,465 2.167,466 1.254,467 3.541,468 2.069,469 1.108,470 1.156,472 2.54,473 1.062,474 17.6,475 0.489,476 0.548,477 0.015,478 43.5,479 1.208,480 21,481 0.583,482 22.5,483 0.625,484 37.952,485 1.054,486 38.2,487 0.516,488 28.498,489 0.792,490 7.34,491 0.204,492 10.542,493 0.293,496 0.284,501 0.986,502 1.192,503 0.932,504 1.043,505 0.814,506 0.994,507 1.002,508 1.242,509 1.008,510 1.118,511 0.844,512 1.073,513 1.134,514 1.067,515 0.87,516 0.91,517 0.945,518 0.879,519 1.554,520 1.023,521 1.067,522 0.951,523 1.292,524 0.972,525 1.53,526 1.023,527 1.199,528 1.051,529 1.336,530 1.094,531 0.986,532 1.071,533 1.197,534 1.18,535 1.1,536 1.198,537 0.66,538 0.943,539 1.031,540 1.063,541 0.875,542 1.07,543 0.64,544 0.885,545 0.919,546 0.958,547 0.771,548 0.958,549 3.5,550 0.058,551 3.333,552 2.25,553 2.16,554 0.708,555 0.478,556 0.229,557 0.172,558 0.114,559 24873,560 45035,561 2.238,562 51.4,563 16,564 12,567 2,568 4,569 4,572 1.767,573 2.204,574 3.68,575 0.038,582 92.078,583 1.244,584 3.066,585 3.966,586 4.669,587 4.831,588 4.831,589 2.858,590 3.503,591 5.154,592 3.96,593 2494.74,594 9.007,595 43829.8,600 459.5,601 0.852,602 5.144,603 0.085,604 0.002,605 0.06,606 0.037,607 0.039,608 0.014,609 0.011,610 0.007,611 0.006,612 0.004,613 0.265,614 0.33,615 0.63,617 201.171,618 0.019,619 -0.019,620 0.07,621 0.039,622 0.136,623 0.055,624 0.022,625 -0.147,626 -0.011,627 -0.081,628 0.116,629 -0.054,630 0.072,631 -0.04,632 0.134,633 0.065,634 0.158,635 0.097,636 -0.036,637 0.05,638 -0.042,640 -0.036,641 -0.018,642 -0.262,643 0.032,644 -0.192,645 -0.074,646 -0.273,647 -0.119,648 -0.162,649 -0.095,650 -0.224,651 -0.176,652 -0.242,653 -0.199,654 0.02,655 -0.037,656 -0.07,657 -0.073,658 -0.08,659 -0.077,660 0.039,661 -0.001,662 0.042,663 0.022,664 0.003,665 0.03,666 0.53,667 1.974,668 0.778,669 34.704,670 0.979,671 1.122,672 4.599,673 21.148,674 0.662,675 3.738,676 4.043,677 4.382,678 4.71,679 5.011,680 5.081,681 5.215,682 5.313,683 5.366,684 5.198,685 9.07,686 0.609,687 478.74,688 3.738,689 5.273,690 6.142,691 7.027,692 7.918,693 8.815,694 9.713,695 10.616,696 11.518,697 12.422,698 5.4,703 2,708 2,714 4,715 8,716 2,720 6,722 22,734 2,741 74,743 22,744 2,745 41,747 79,748 32,749 18,750 4,751 8,756 6,757 12,767 8,770 12,772 18,773 14,793 38,794 4,795 2,796 4,802 4,808 0.333,822 2,829 6,833 4,859 2,868 36,876 14,877 2,901 16.333,902 13.067,903 7.972,904 5.325,907 4.671,908 1.526,909 1.037,910 7.253,911 13.558,912 3.97,913 4.585,914 5.252,915 5.906,916 6.535,917 6.869,918 7.25,919 7.594,920 7.889,921 7.692,922 0.889,923 61,924 13.408,926 5.725,927 0.026,929 7.296,931 27.253,933 23.655,936 1.796,937 64.667,941 423.76,942 137.268,943 69.593,948 137.268,949 423.76,950 69.593,952 34.626,953 75.81,954 69.593,955 26.832,957 423.76,959 423.76,960 206.861,964 376.675,965 47.084,968 44.428,969 92.841,970 69.593,972 423.76,973 69.593,974 137.268,977 423.76,978 61.458,979 75.81,980 36.022,981 33.571,982 423.76,983 69.593,984 137.268,986 0.566,987 0.341,988 0.206,989 0.121,990 28,991 10,992 0.114,993 9,994 4,995 1.286,996 4.893,997 347.242,998 0.286,999 28,1000 150.117,1005 23.585,1006 11.072,1007 5.061,1008 4.848,1009 69.593,1010 17.261,1011 9.949,1015 8.283,1017 36.022,1018 630.62,1019 52,1031 72.428,1032 83.052,1034 0.2,1035 0.494,1036 0.639,1037 0.752,1038 0.778,1039 0.778,1040 5.201,1041 1.556,1042 6.094,1043 3.811,1044 4.727,1045 5.273,1046 0.495,1047 6.921,1048 4.688,1049 6.384,1050 1.523,1051 7.646,1052 3.458,1053 4.111,1054 5.094,1056 7.861,1057 4.05,1058 7.692,1059 1.463,1060 9.312,1061 3.329,1062 6.308,1063 7.554,1064 0.097,1065 11.047,1066 6.23,1067 9.047,1068 1.347,1069 11.051,1070 3.329,1071 6.635,1072 8.307,1074 12.888,1075 6.534,1076 10.446,1077 1.347,1078 12.838,1079 3.281,1080 8.213,1081 10.197,1082 0.016,1083 15.568,1084 8.097,1085 11.874,1086 1.247,1087 14.657,1088 3.046,1089 8.999,1090 11.369,1092 17.754,1093 8.86,1094 13.326,1095 1.247,1096 16.498,1097 2.902,1098 10.321,1099 13.036,1100 0.003,1101 20.269,1102 10.166,1103 3.226,1104 1.108,1105 18.355,1106 2.902,1107 11.322,1108 14.397,1110 22.595,1111 11.144,1112 3.226,1113 11.348,1114 20.223,1115 2.54,1116 12.543,1117 15.974,1119 25.054,1120 12.348,1121 2.532,1122 11.348,1123 22.1,1124 4.564,1125 13.639,1126 17.421,1128 27.437,1129 13.422,1130 2.532,1131 8.37,1132 23.984,1133 4.564,1134 14.824,1135 18.961,1137 29.877,1138 14.587,1139 2.186,1140 8.37,1141 25.874,1142 3.437,1143 15.961,1144 20.447,1146 32.285,1147 15.703,1148 2.177,1149 6.711,1150 27.768,1151 3.437,1152 17.134,1153 21.973,1155 34.717,1156 16.856,1157 1.842,1158 6.711,1159 29.665,1160 2.893,1161 18.289,1162 23.476,1164 37.137,1165 17.99,1166 22240,1167 30078,1168 29.008,1169 48.967,1170 60.276,1171 60.857,1172 61.575,1173 60.458,1174 60.438,1175 77.483,1176 1.6,1177 170.627,1178 59.272,1179 5.601,1180 5.361,1181 6.716,1182 5.247,1183 5.226,1184 7.564,1185 0.8,1186 18.879,1187 5.162,1189 1.47,1190 1.484,1191 1.502,1192 1.475,1193 1.474,1194 1.89,1195 0.039,1196 4.162,1197 1.446,1198 4.136,1199 4.168,1200 4.093,1201 4.061,1202 4.99,1203 4.065,1204 4.088,1205 4.117,1206 4.051,1207 4.018,1208 4.954,1209 4.023,1210 3.751,1211 3.816,1212 3.623,1213 3.654,1214 4.415,1215 3.64,1216 3.731,1217 3.781,1218 3.616,1219 3.649,1220 4.411,1221 3.635,1222 3.73,1223 3.78,1224 3.58,1225 3.613,1226 4.281,1227 3.595,1228 3.515,1229 3.598,1230 3.36,1231 3.334,1232 4.21,1233 3.328,1234 3.313,1235 3.383,1236 3.182,1237 3.178,1238 4,1239 3.171,1240 3.215,1241 3.277,1242 3.079,1243 3.098,1244 3.971,1245 3.084,1246 0.113,1247 0.082,1248 0.167,1249 0.103,1250 0.079,1251 4.64,1252 0.111,1253 3.361,1254 0.01,1255 6.829,1256 0.277,1257 4.207,1258 0.077,1259 3.226,1260 4.564,1261 0.4,1262 11.348,1263 3.162,1264 2.072,1265 2.047,1266 2.16,1267 2.164,1268 1.438,1269 2.165,1270 2.071,1271 2.046,1272 2.158,1273 2.162,1274 1.434,1275 2.162,1276 1.76,1277 1.71,1278 2.009,1279 1.928,1280 1.362,1281 1.959,1282 1.754,1283 1.709,1284 1.949,1285 1.872,1286 1.16,1287 1.902,1288 1.753,1289 1.693,1290 1.948,1291 1.872,1292 1.144,1293 1.901,1294 1.505,1295 1.428,1296 1.774,1297 1.726,1298 1.052,1299 1.747,1300 1.303,1301 1.244,1302 1.527,1303 1.498,1304 0.765,1305 1.514,1306 1.226,1307 1.172,1308 1.463,1309 1.381,1310 0.755,1311 1.405,1312 4.419,1314 5.727,1316 7.259,1318 8.906,1320 10.618,1328 16.677,1329 7.649,1340 45.041,1341 92.078,1342 226.894,1343 293.5,1344 345.5,1345 357.5,1346 357.5,1347 47.921,1348 8.887,1349 49.84,1350 49.84,1351 36,1352 12.942,1353 4.524,1354 3.585,1355 49.519,1356 208,1357 124,1358 0.114,1359 271.268,1360 462,1361 653.654,1362 134385,1364 24.158,1365 0.671,1366 0.595,1367 24.158,1368 21.413,1369 17.882,1370 0.436,1371 0.346,1372 14.1,1373 17.624,1374 13.833,1375 11.441,1376 17.882,1377 14.17,1378 15.331,1379 0.274,1380 0.188,1381 15.331,1382 10.54,1383 13.607,1384 0.172,1385 0.102,1386 13.607,1387 8.046,1388 12.107,1389 0.11,1390 0.056,1391 12.107,1392 6.179,1393 10.657,1394 0.072,1395 0.032,1396 10.657,1397 4.768,1398 0.188,1399 109.018,1400 0.186,1401 33.678,1402 0.29,1403 194,1404 381.956,1405 201.549,1406 386.854,1407 565.04,1408 370,1409 232,1410 443.014,1411 240.659,1412 452.95,1413 674.5,1414 434,1415 8.854}
{0 CHEMBL73974,1 1.414,2 12.63,3 4.571,4 20.889,5 109.694,6 6.787,7 0.4,8 4.063,9 4.192,10 3.556,11 3.638,12 5.041,13 3.589,14 4.659,15 4.849,16 3.905,17 4.067,18 5.58,19 3.987,20 4.98,21 5.219,22 3.926,23 4.209,24 5.887,25 4.081,26 5.03,27 5.299,28 3.757,29 4.139,30 5.914,31 3.976,32 4.928,33 5.216,34 3.682,35 4.024,36 5.731,37 3.866,38 4.804,39 5.048,40 3.668,41 3.946,42 5.811,43 3.821,44 4.76,45 5.013,46 3.464,47 3.896,48 5.676,49 3.732,50 4.662,51 4.952,52 3.339,53 3.795,54 5.356,55 3.607,56 0.036,57 0.826,58 12.161,59 5.459,60 5.549,61 7.389,62 0.134,63 1.402,64 23.211,65 9.324,66 15.853,67 12.996,68 0.244,69 1.781,70 33.304,71 12.923,72 40.933,73 17.977,74 0.419,75 1.79,76 36.168,77 13.415,78 60.171,79 18.664,80 0.262,81 1.527,82 32.434,83 12.215,84 37.435,85 17.304,86 0.381,87 1.451,88 28.982,89 10.648,90 57.203,91 14.184,92 0.373,93 1.354,94 27.615,95 10.361,96 57.843,97 14.03,98 0.162,99 1.183,100 24.443,101 9.652,102 25.491,103 13.871,104 5,105 41,106 0.236,107 0.547,108 0.753,109 0.86,110 0.867,111 0.867,112 3.339,113 1.005,114 -5.45,115 -5.33,116 -4.98,121 42.6,123 5,124 1,127 4,144 7,145 3,146 2,159 1,176 13,180 5,185 3,187 14,192 5,197 2,200 11,206 6,211 1,214 8,219 5,227 10,235 1,237 1,239 13,243 1,244 1,249 1,251 11,256 2,261 1,264 6,269 3,274 2,277 4,281 1119,282 18.516,283 18.516,284 18.516,285 18.516,286 18.516,287 16.896,288 22.025,289 10.993,290 18.707,291 14.809,292 14.809,293 14.809,294 14.809,295 14.809,296 12.329,297 25.634,298 5.239,299 15.123,300 4.341,301 2.473,302 1.235,303 0.593,304 0.556,305 0.556,306 4.039,311 1,312 1,313 753,314 3.082,317 73.253,318 272.131,321 126.27,325 2.115,326 25.253,328 1,329 0.75,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.89,337 57.5,338 341,339 4.342,340 3.607,341 6.257,342 3.986,343 2.989,344 3.981,345 1.277,346 9.438,347 2.985,348 4.177,349 3.234,350 6.063,351 3.815,352 2.854,353 3.779,354 0.916,355 8.759,356 2.74,357 3.908,358 3.074,359 5.904,360 3.644,361 2.643,362 3.247,363 0.4,364 8.17,365 2.643,366 3.622,367 2.819,368 5.463,369 3.524,370 2.539,371 2.644,372 0.172,373 7.266,374 2.497,375 3.2,376 2.336,377 5.109,378 3.087,379 2.14,380 2.258,382 6.275,383 2.012,384 2.899,385 1.96,386 4.405,387 2.531,388 1.535,389 2.036,391 4.287,392 1.531,393 2.875,394 1.85,395 4.172,396 2.504,397 1.505,398 2.024,400 3.806,401 1.495,402 2.856,403 1.759,404 4.127,405 2.407,406 1.414,407 1.937,409 3.659,410 1.403,411 2.773,412 1.498,413 3.598,414 2.369,415 1.408,416 1.837,418 2.968,419 1.335,420 2.178,421 1.251,422 3.437,423 2.021,424 1.056,425 1.151,427 2.384,428 1.017,429 2,430 1.087,431 3.414,432 1.984,433 1,434 1,436 2.275,437 0.983,438 1.777,439 1.077,440 3.144,441 1.618,442 0.606,443 0.678,445 1.406,446 0.609,447 1.619,448 0.605,449 2.999,450 1.357,451 0.373,452 0.442,454 0.914,455 0.366,456 1.392,457 0.581,458 2.827,459 1.149,460 0.18,461 0.208,463 0.421,464 0.171,465 0.889,466 0.173,467 2.392,468 0.656,469 -0.298,470 -0.332,472 -0.665,473 -0.277,474 12.919,475 0.478,476 0.571,477 0.021,478 30.75,479 1.139,480 14,481 0.519,482 16.75,483 0.62,484 25.007,485 0.926,486 29.681,487 0.55,488 20.232,489 0.749,490 5.708,491 0.211,492 7.479,493 0.277,494 0.048,496 0.302,499 1,501 0.594,502 1.124,503 0.847,504 1.085,505 0.485,506 1.016,507 0.737,508 1.055,509 0.972,510 1.07,511 0.52,512 1.048,513 0.877,514 1.066,515 1.027,516 1.108,517 0.789,518 1.091,519 1.057,520 0.966,521 1.073,522 1.038,523 1.131,524 1.058,525 0.766,526 0.844,527 0.827,528 0.905,529 0.823,530 0.882,531 1.491,532 1.027,533 1.14,534 1.009,535 1.719,536 1.028,537 1.335,538 0.985,539 1.233,540 1.049,541 1.542,542 1.122,543 0.489,544 0.886,545 0.876,546 1.002,547 0.465,548 0.997,549 5,550 0.114,551 3.111,552 1.132,553 1.333,554 0.677,555 0.392,556 0.294,557 0.186,558 0.108,559 10837,560 24680,561 2.142,562 50,563 3,564 15,567 1,568 2,569 6,572 1.692,573 2.051,574 3.612,575 -0.419,582 76.34,583 1.414,584 3.282,585 4.52,586 5.162,587 5.199,588 5.199,589 3.074,590 4.607,591 4.729,592 3.816,593 1339.57,594 8.16,595 18334.4,597 1,600 310.764,601 1.218,602 4.706,603 0.167,604 0.006,605 0.076,606 0.029,607 0.043,608 0.023,609 0.014,610 0.013,611 0.009,612 0.005,613 0.384,614 0.5,615 0.88,616 0.454,617 137.613,618 -0.007,619 -0.048,620 0.052,621 0.014,622 0.008,623 0.036,624 -0.045,625 -0.039,626 -0.043,627 -0.044,628 0.026,629 -0.04,630 -0.037,631 -0.11,632 -0.071,633 -0.114,634 0.024,635 -0.099,636 -0.02,637 -0.004,638 -0.084,639 -0.065,640 -0.053,641 -0.082,642 0.029,643 -0.007,644 0.137,645 0.057,646 -0.001,647 0.104,648 -0.096,649 0.007,650 -0.113,651 -0.026,652 -0.15,653 -0.065,654 -0.128,655 0.003,656 -0.231,657 -0.065,658 -0.193,659 -0.149,660 0.043,661 -0.054,662 0.053,663 -0.023,664 0.012,665 0.009,666 1.783,667 5.807,668 0.778,669 27.901,670 0.991,671 1.129,672 4.219,673 17.798,674 0.654,675 3.434,676 3.738,677 3.989,678 4.19,679 4.382,680 4.369,681 4.443,682 4.533,683 4.489,684 4.522,685 7.571,686 0.611,687 366.52,688 3.434,689 4.963,690 5.802,691 6.658,692 7.509,693 8.366,694 9.221,695 10.078,696 10.935,697 11.793,698 3.7,701 1,703 1,715 7,720 5,722 12,727 1,734 1,740 1,741 54,743 13,744 2,745 30,747 57,748 23,749 12,750 5,751 7,752 1,756 4,757 5,767 3,768 1,770 5,772 13,773 10,774 1,777 1,782 1,786 1,790 1,791 1,793 27,794 4,795 1,796 4,802 2,808 0.75,809 1,828 1,829 3,832 1,855 1,859 3,866 1,868 27,876 9,877 1,880 1,881 1,892 1,893 1.9,896 1,901 13.167,902 9.426,903 5.917,904 3.572,907 2.063,908 1.276,909 0.997,910 5.659,911 9.532,912 3.638,913 4.159,914 4.654,915 5.101,916 5.563,917 5.598,918 5.75,919 5.802,920 5.71,921 5.844,922 1,923 39,924 10.105,926 4.368,927 0.026,929 7.66,931 19.883,933 17.077,936 2.16,937 58.333,939 1,940 1,941 306.049,942 113.997,943 21.135,945 25.145,946 14.96,948 113.997,949 331.194,950 36.095,952 21.095,953 66.334,954 48.289,955 24.559,956 14.96,957 306.049,959 306.049,960 135.132,961 40.105,964 250.382,965 95.772,968 24.22,969 92.902,970 18.011,972 321.009,973 46.28,974 113.997,977 306.049,978 47.663,979 69.458,980 18.011,981 40.105,982 306.049,983 61.24,984 113.997,986 0.58,987 0.338,988 0.173,989 0.092,990 20,991 8,992 0.105,993 6,994 1,995 1.095,996 4.111,997 220.815,998 0.095,999 21,1000 124.382,1005 18.343,1006 8.33,1007 4.455,1009 61.24,1010 13.086,1015 3.956,1017 18.011,1018 481.286,1019 37,1024 12.558,1028 0.262,1031 53.53,1032 60.943,1034 0.246,1035 0.57,1036 0.785,1037 0.897,1038 0.903,1039 0.903,1040 4.875,1041 1.414,1042 5.765,1043 3.806,1044 4.419,1045 4.844,1046 1.806,1047 6.524,1048 4.381,1049 6.034,1050 1.408,1051 7.292,1052 3.659,1053 3.892,1054 4.527,1055 0.325,1056 7.298,1057 3.832,1058 7.312,1059 1.056,1060 8.916,1061 2.968,1062 5.969,1063 6.909,1064 1.993,1065 10.35,1066 5.899,1067 8.622,1068 1,1069 10.595,1070 2.384,1071 6.275,1072 7.428,1073 0.393,1074 11.939,1075 6.189,1076 9.966,1077 0.606,1078 12.311,1079 2.275,1080 7.78,1081 9.287,1082 2.342,1083 14.468,1084 7.685,1085 11.332,1086 0.373,1087 14.05,1088 1.406,1089 8.471,1090 10.195,1091 0.384,1092 16.392,1093 8.364,1094 12.714,1095 0.18,1096 15.806,1097 0.914,1098 9.732,1099 11.825,1100 2.756,1101 18.728,1102 9.616,1103 2.989,1104 -0.298,1105 17.573,1106 0.421,1107 10.61,1108 12.932,1109 0.351,1110 20.804,1111 10.484,1112 2.854,1113 9.438,1114 19.349,1115 -0.665,1116 11.761,1117 14.446,1118 3.203,1119 23.064,1120 11.626,1121 2.643,1122 8.759,1123 21.133,1124 3.981,1125 12.732,1126 15.661,1127 0.312,1128 25.211,1129 12.589,1130 2.539,1131 8.17,1132 22.921,1133 3.779,1134 13.834,1135 17.111,1136 3.667,1137 27.442,1138 13.683,1139 2.14,1140 7.266,1141 24.713,1142 3.247,1143 14.852,1144 18.387,1145 0.273,1146 29.625,1147 14.695,1148 1.535,1149 6.275,1150 26.509,1151 2.644,1152 15.933,1153 19.802,1154 4.143,1155 31.847,1156 15.769,1157 1.505,1158 4.287,1159 28.308,1160 2.258,1161 16.976,1162 21.115,1163 0.236,1164 34.049,1165 16.807,1166 10039,1167 15246,1168 20.572,1169 35.302,1170 44.706,1171 46.054,1172 45.306,1173 44.549,1174 44.484,1175 54.442,1176 5.533,1177 124.054,1178 43.573,1179 5.342,1180 5.607,1181 5.945,1182 5.021,1183 4.989,1184 6.981,1185 2.555,1186 15.798,1187 4.985,1188 9.556,1189 1.49,1190 1.535,1191 1.51,1192 1.485,1193 1.483,1194 1.815,1195 0.184,1196 4.135,1197 1.452,1198 4.031,1199 4.067,1200 3.969,1201 3.951,1202 8.201,1203 3.951,1204 3.95,1205 3.991,1206 3.885,1207 3.862,1208 7.427,1209 3.862,1210 3.83,1211 3.876,1212 3.719,1213 3.724,1214 4.749,1215 3.715,1216 3.584,1217 3.634,1218 3.484,1219 3.421,1220 4.653,1221 3.427,1222 3.354,1223 3.427,1224 3.203,1225 3.199,1226 4.317,1227 3.189,1228 3.167,1229 3.233,1230 3.019,1231 3.016,1232 4.084,1233 3.006,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.887,1239 2.91,1240 2.949,1241 3.015,1242 2.834,1243 2.802,1244 3.691,1245 2.793,1246 0.145,1247 0.12,1248 0.209,1249 0.133,1250 0.1,1251 4.342,1252 0.133,1253 3.607,1254 0.043,1255 6.257,1256 0.315,1257 3.986,1258 0.099,1259 2.989,1260 3.981,1261 1.277,1262 9.438,1263 2.985,1264 1.941,1265 1.911,1266 2.102,1267 2.072,1268 1.485,1269 2.085,1270 1.911,1271 1.885,1272 2.013,1273 1.997,1274 1.21,1275 2.003,1276 1.824,1277 1.778,1278 1.977,1279 1.939,1280 1.15,1281 1.953,1282 1.493,1283 1.437,1284 1.749,1285 1.698,1286 1.024,1287 1.719,1288 1.461,1289 1.385,1290 1.71,1291 1.679,1292 0.937,1293 1.693,1294 1.202,1295 1.143,1296 1.513,1297 1.407,1298 0.825,1299 1.429,1300 1.153,1301 1.064,1302 1.458,1303 1.376,1304 0.684,1305 1.424,1306 0.982,1307 0.921,1308 1.228,1309 1.191,1310 0.433,1311 1.21,1312 4.111,1314 5.416,1315 2.398,1316 6.911,1317 4.595,1318 8.487,1319 6.581,1320 10.102,1324 13.807,1328 8.407,1329 3.335,1332 0.599,1333 2.324,1340 32.989,1341 76.34,1342 177.241,1343 244.093,1344 278.764,1345 280.764,1346 280.764,1347 49.65,1348 7.469,1349 32.34,1350 32.34,1351 23,1352 12.345,1353 3.807,1354 3,1355 40.633,1356 125,1357 100,1358 0.156,1359 200.112,1360 353.6,1361 480.033,1362 20165,1363 1.9,1364 18.64,1365 0.69,1366 0.582,1367 17.769,1368 15.716,1369 13.187,1370 0.44,1371 0.335,1372 9.955,1373 12.834,1374 9.759,1375 8.023,1376 12.776,1377 10.046,1378 11.723,1379 0.286,1380 0.191,1381 11.205,1382 7.821,1383 10.057,1384 0.19,1385 0.113,1386 9.523,1387 5.976,1388 7.917,1389 0.122,1390 0.066,1391 7.64,1392 4.259,1393 6.339,1394 0.08,1395 0.039,1396 6.092,1397 3.047,1398 0.255,1399 81.63,1400 0.22,1401 26.696,1402 0.4,1403 142,1404 385.825,1405 151.737,1406 352.01,1407 473.57,1408 330,1409 165,1410 336.773,1411 174.982,1412 338.291,1413 493.21,1414 320,1415 7.367}
{0 CHEMBL74089,1 1.543,2 7.316,3 1.815,4 3.292,5 73.102,6 6.878,7 0.286,8 3.745,9 3.878,10 3.25,11 3.206,12 4.766,13 3.192,14 4.333,15 4.532,16 3.676,17 3.658,18 5.351,19 3.622,20 4.573,21 4.771,22 3.734,23 3.853,24 5.51,25 3.78,26 4.723,27 4.968,28 3.563,29 3.855,30 5.631,31 3.735,32 4.605,33 4.863,34 3.336,35 3.685,36 5.486,37 3.523,38 4.481,39 4.788,40 3.04,41 3.353,42 5.268,43 3.187,44 3.994,45 4.24,46 2.938,47 2.976,48 5.005,49 2.902,50 3.844,51 4.071,52 2.756,53 2.809,54 5.07,55 2.75,56 0.021,57 0.571,58 8.888,59 3.279,60 6.605,61 4.768,62 0.37,63 0.927,64 17.287,65 5.583,66 31.151,67 8.349,68 0.157,69 1.132,70 21.695,71 7.647,72 23.957,73 11.179,74 0.345,75 1.179,76 26.343,77 8.184,78 40.598,79 12.382,80 0.212,81 0.99,82 23.191,83 8.008,84 31.871,85 11.959,86 0.344,87 0.734,88 21.731,89 6.359,90 35.447,91 9.741,92 0.247,93 0.5,94 13.088,95 3.629,96 21.939,97 5.423,98 0.277,99 0.448,100 11.344,101 2.529,102 35.423,103 4.004,104 20,105 32,106 0.283,107 0.639,108 0.821,109 0.873,110 0.873,111 0.873,112 3.012,113 0.938,114 -2.84,115 -2.85,116 -2.76,121 36.8,122 1,123 1,125 1,126 2,127 1,130 1,144 3,145 1,146 2,161 1,176 5,179 1,180 5,183 3,185 2,187 6,192 6,197 2,200 5,206 3,211 4,214 3,218 1,219 4,224 3,227 2,232 1,235 1,237 1,243 1,244 2,247 1,249 2,259 1,260 1,281 380,282 12.626,283 12.626,284 12.626,285 12.626,286 12.626,287 11.81,288 21.185,289 7.078,290 12.974,291 10.25,292 10.25,293 10.25,294 10.25,295 10.25,296 8.861,297 28.553,298 3.23,299 10.751,300 3.704,301 1.758,302 0.764,303 0.481,304 0.481,305 0.481,306 3.681,310 1,311 1,312 1,313 299,314 3.24,317 63.564,318 36.442,320 51.233,321 55.53,324 77.068,325 1.141,326 15.453,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 41.5,338 139,339 4.809,340 3.935,341 7.956,342 4.685,343 3.705,344 4.198,345 2.186,346 15.054,347 3.637,348 3.956,349 3.657,350 6.18,351 3.612,352 2.659,353 3.289,354 0.886,355 8.773,356 2.536,357 3.661,358 2.75,359 5.942,360 3.393,361 2.455,362 2.858,363 0.4,364 7.804,365 2.282,366 3.426,367 2.679,368 5.414,369 3.134,370 2.182,371 2.585,372 0.366,373 6.815,374 2.059,375 3.112,376 2.249,377 4.74,378 2.807,379 1.848,380 2.213,382 5.132,383 1.761,384 2.52,385 1.43,386 4.198,387 2.183,388 1.217,389 1.526,391 3.026,392 1.173,393 2.201,394 1.119,395 3.704,396 2.039,397 1.061,398 1.19,400 2.637,401 1.035,402 1.696,403 1.106,404 3.649,405 1.579,406 0.638,407 0.664,409 1.642,410 0.598,411 1.501,412 0.89,413 3.029,414 1.295,415 0.377,416 0.401,418 0.571,419 0.342,420 1.198,421 0.618,422 2.907,423 0.805,424 -0.164,425 -0.205,427 -0.367,428 -0.156,429 0.698,430 -0.167,431 2.445,432 0.362,433 -0.602,434 -0.63,436 -1.55,437 -0.576,438 0.552,439 -0.398,440 2.288,441 0.271,442 -0.712,443 -0.844,445 -1.943,446 -0.694,447 0.344,448 -0.654,449 2.201,450 0.082,451 -0.909,452 -1.233,454 -2.686,455 -0.894,456 -0.167,457 -0.874,458 1.922,459 -0.375,460 -1.339,461 -1.414,463 -3.081,464 -1.275,465 -0.318,466 -1.093,467 1.785,468 -0.455,469 -1.414,470 -1.659,472 -4.041,473 -1.369,474 8.867,475 0.467,476 0.613,477 0.032,478 21.5,479 1.132,480 8.5,481 0.447,482 13,483 0.684,484 16.219,485 0.854,486 21.733,487 0.572,488 14.424,489 0.759,490 4.138,491 0.218,492 4.921,493 0.259,494 0.207,495 0.056,496 0.327,501 0.85,502 1.549,503 0.852,504 1.247,505 0.629,506 1.067,507 0.672,508 0.84,509 0.787,510 0.772,511 0.41,512 0.776,513 0.944,514 1.307,515 1.001,516 1.211,517 0.665,518 1.132,519 1.154,520 0.987,521 1.182,522 1.039,523 0.956,524 1.097,525 0.687,526 1.2,527 1.043,528 1.314,529 0.812,530 1.255,531 1.03,532 0.764,533 0.814,534 0.8,535 0.836,536 0.79,537 1.406,538 1.015,539 0.953,540 0.948,541 1.378,542 0.908,543 1.931,544 1.022,545 1.409,546 0.987,547 3.167,548 1.093,549 5,551 3.333,552 2.674,553 0.961,554 0.615,555 0.375,556 0.287,557 0.118,558 0.025,559 2876,560 7103,561 2.038,562 50,563 3,564 11,565 1,567 2,569 2,572 1.606,573 1.854,574 2.834,575 0.393,577 1,579 1,582 58.653,583 1.543,584 3.49,585 4.484,586 4.767,587 4.767,588 4.767,589 2.234,590 4.037,591 4.216,592 2.968,593 507.444,594 7.2,595 4788.16,596 1,597 1,599 1,600 199.421,601 1.747,602 4.142,603 0.238,605 0.104,606 0.081,607 0.037,608 0.032,609 0.027,610 0.022,611 0.012,612 0.008,613 0.562,614 0.83,615 1,616 1.368,617 80.314,618 -0.052,619 -0.239,620 0.064,621 -0.088,622 -0.056,623 -0.004,624 0.264,625 0.346,626 0.175,627 0.263,628 0.231,629 0.22,630 -0.086,631 -0.197,632 -0.067,633 -0.128,634 0.018,635 -0.101,636 -0.201,637 0.033,638 -0.218,639 -0.054,640 -0.087,641 -0.123,642 0.06,643 -0.255,644 -0.111,645 -0.294,646 -0.025,647 -0.241,648 0.041,649 0.009,650 0.188,651 0.112,652 -0.01,653 0.163,654 0.028,655 -0.123,656 0.088,657 -0.026,658 -0.005,659 0.018,660 -0.216,661 -0.014,662 -0.326,663 -0.146,664 -0.272,665 -0.246,666 2.099,667 4.297,668 0.632,669 12.316,670 1.001,671 1.138,672 1.613,673 2.601,674 0.632,675 3.091,676 3.497,677 3.85,678 4.174,679 4.369,680 4.466,681 4.635,682 4.673,683 4.575,684 4.454,685 4.433,686 0.598,687 261.36,688 3.091,689 4.673,690 5.572,691 6.509,692 7.435,693 8.382,694 9.321,695 10.273,696 11.219,697 12.174,698 7.9,700 1,704 1,705 1,715 3,720 3,722 6,736 1,737 1,741 38,743 7,744 1,745 21,747 40,748 14,749 6,750 3,751 3,756 3,757 6,763 1,764 1,766 1,767 1,770 1,772 7,773 7,777 1,782 1,786 1,789 1,790 1,793 19,794 5,795 2,796 5,802 3,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,853 1,859 1,864 3,868 19,876 2,877 2,878 1,880 1,881 1,882 1,893 5.3,896 1,898 1,901 10.25,902 7.617,903 4.125,904 2.24,907 1.326,908 1.196,909 0.944,910 2.947,911 8.108,912 3.258,913 3.818,914 4.347,915 4.886,916 5.372,917 5.617,918 5.971,919 6.183,920 6.154,921 6.056,922 0.8,923 33,924 7.03,926 3.012,927 0.026,929 7.697,931 13.619,933 11.57,936 2.197,937 41.75,938 0.001,941 200.109,942 76.635,943 39.146,945 36.145,948 76.635,949 236.254,950 39.146,951 25.618,952 22.651,953 46.439,954 25.145,955 25.31,956 18.534,957 188.338,959 200.109,960 115.781,961 36.145,964 176.567,965 59.687,968 49.487,969 66.294,972 200.109,973 75.291,974 76.635,977 200.109,978 22.588,979 57.171,980 36.022,981 36.145,982 200.109,983 75.291,984 76.635,986 0.598,987 0.371,988 0.197,989 0.102,990 18,991 8,992 0.05,993 2,994 2,995 1.333,996 3.01,997 149.261,998 0.333,999 12,1000 80.711,1005 12.758,1006 4.389,1007 1.817,1009 75.291,1010 5.863,1015 3.065,1017 36.022,1018 352.035,1019 25,1024 11.297,1028 -0.433,1031 38.029,1032 43.235,1034 0.294,1035 0.665,1036 0.854,1037 0.908,1038 0.908,1039 0.908,1040 4.57,1041 0.638,1042 5.638,1043 2.637,1044 4.174,1045 4.5,1046 2.41,1047 6.613,1048 4.09,1049 5.794,1050 0.377,1051 7.313,1052 1.642,1053 4.111,1054 4.494,1055 1.847,1056 8.084,1057 4.019,1058 7.149,1059 -0.164,1060 9.108,1061 0.571,1062 5.974,1063 6.623,1064 3.516,1065 11.245,1066 5.834,1067 8.545,1068 -0.602,1069 10.98,1070 -0.367,1071 6.746,1072 7.388,1073 3.601,1074 13.571,1075 6.612,1076 9.978,1077 -0.712,1078 12.905,1079 -1.55,1080 8.183,1081 9.089,1082 4.909,1083 16.389,1084 8.02,1085 11.438,1086 -0.909,1087 14.866,1088 -1.943,1089 9.293,1090 10.193,1091 5.291,1092 18.99,1093 9.131,1094 12.92,1095 -1.339,1096 16.856,1097 -2.686,1098 10.62,1099 11.741,1100 6.388,1101 21.728,1102 10.439,1103 3.705,1104 -1.414,1105 18.865,1106 -3.081,1107 11.856,1108 13.007,1109 6.93,1110 24.408,1111 11.668,1112 2.659,1113 15.054,1114 20.891,1115 -4.041,1116 13.16,1117 14.493,1118 7.902,1119 27.127,1120 12.956,1121 2.455,1122 8.773,1123 22.928,1124 4.198,1125 14.442,1126 15.84,1127 8.539,1128 29.829,1129 14.225,1130 2.182,1131 7.804,1132 24.974,1133 3.289,1134 15.745,1135 17.298,1136 9.436,1137 32.543,1138 15.512,1139 1.848,1140 6.815,1141 27.027,1142 2.858,1143 17.043,1144 18.687,1145 10.13,1146 35.252,1147 16.795,1148 1.217,1149 5.132,1150 29.085,1151 2.585,1152 18.349,1153 20.132,1154 10.981,1155 37.964,1156 18.083,1157 1.061,1158 3.026,1159 31.147,1160 2.213,1161 19.654,1162 21.543,1163 11.71,1164 40.675,1165 19.371,1166 2912,1167 4650,1168 13.523,1169 24.017,1170 32.349,1171 33.629,1172 34.804,1173 32.226,1174 32.282,1175 37.848,1176 7.677,1177 102.908,1178 30.847,1179 5.773,1180 5.935,1181 7.507,1182 5.75,1183 5.705,1184 7.198,1185 3.889,1186 23.395,1187 5.637,1188 10.207,1189 1.54,1190 1.601,1191 1.657,1192 1.535,1193 1.537,1194 1.802,1195 0.366,1196 4.9,1197 1.469,1198 4.083,1199 4.12,1200 4.029,1201 3.989,1202 7.435,1203 3.994,1204 3.692,1205 3.732,1206 3.611,1207 3.545,1208 4.837,1209 3.549,1210 3.509,1211 3.577,1212 3.41,1213 3.208,1214 4.468,1215 3.251,1216 3.291,1217 3.388,1218 3.117,1219 3.059,1220 4.22,1221 3.06,1222 3.137,1223 3.239,1224 2.919,1225 2.933,1226 4.037,1227 2.915,1228 2.969,1229 3.014,1230 2.77,1231 2.699,1232 3.858,1233 2.703,1234 2.775,1235 2.849,1236 2.586,1237 2.611,1238 3.769,1239 2.599,1240 2.726,1241 2.842,1242 2.465,1243 2.484,1244 3.495,1245 2.47,1246 0.229,1247 0.187,1248 0.379,1249 0.223,1250 0.176,1251 4.809,1252 0.2,1253 3.935,1254 0.104,1255 7.956,1256 0.717,1257 4.685,1258 0.173,1259 3.705,1260 4.198,1261 2.186,1262 15.054,1263 3.637,1264 1.903,1265 1.884,1266 2.004,1267 1.994,1268 1.31,1269 1.995,1270 1.627,1271 1.573,1272 1.831,1273 1.811,1274 1.035,1275 1.819,1276 1.466,1277 1.386,1278 1.72,1279 1.758,1280 0.951,1281 1.743,1282 1.394,1283 1.316,1284 1.686,1285 1.685,1286 0.682,1287 1.694,1288 1.191,1289 1.096,1290 1.554,1291 1.459,1292 0.633,1293 1.495,1294 0.879,1295 0.833,1296 1.266,1297 1.209,1298 0.408,1299 1.198,1300 0.842,1301 0.739,1302 1.102,1303 1.145,1304 0.157,1305 1.174,1306 0.754,1307 0.675,1308 1.018,1309 0.96,1310 0.084,1311 0.997,1312 3.761,1314 5.142,1315 3.045,1316 6.727,1317 5.587,1318 8.413,1319 7.84,1320 10.161,1322 5.928,1328 2.115,1329 5.995,1330 5.229,1332 0.331,1333 2.27,1334 0.089,1340 22.708,1341 58.653,1342 132.609,1343 170.402,1344 181.157,1345 181.157,1346 181.157,1347 26.057,1348 6.782,1349 53.6,1350 53.6,1351 16,1352 12.662,1353 3,1354 2.322,1355 27.752,1356 50,1357 58,1358 0.291,1359 139.549,1360 242.8,1361 332.259,1362 6395,1364 13.621,1365 0.717,1366 0.605,1367 13.621,1368 11.487,1369 9.059,1370 0.431,1371 0.313,1372 6.445,1373 8.62,1374 6.196,1375 5.162,1376 9.059,1377 6.564,1378 8.562,1379 0.268,1380 0.17,1381 8.562,1382 5.454,1383 7.68,1384 0.167,1385 0.095,1386 7.68,1387 4.351,1388 6.459,1389 0.101,1390 0.052,1391 6.459,1392 3.318,1393 4.995,1394 0.064,1395 0.028,1396 4.995,1397 2.168,1398 0.432,1399 57.38,1400 0.272,1401 18.445,1402 0.867,1403 106,1404 287.782,1405 118.332,1406 273.091,1407 377.79,1408 256,1409 131,1410 285.543,1411 142.977,1412 287.543,1413 427.22,1414 269,1415 7.678}
{0 CHEMBL74107,1 1.367,2 13.333,3 5.504,4 30.293,5 110.674,6 6.026,7 0.207,8 4.18,9 4.325,10 3.563,11 3.652,12 5.074,13 3.594,14 4.802,15 5.027,16 3.935,17 4.088,18 5.65,19 3.996,20 5.084,21 5.331,22 4.01,23 4.285,24 5.84,25 4.155,26 5.224,27 5.506,28 3.931,29 4.309,30 5.985,31 4.151,32 5.149,33 5.422,34 3.754,35 4.195,36 5.956,37 4.009,38 5.075,39 5.393,40 3.569,41 3.968,42 5.802,43 3.781,44 4.725,45 4.988,46 3.521,47 3.734,48 5.624,49 3.61,50 4.639,51 4.888,52 3.44,53 3.645,54 5.644,55 3.542,56 0.068,57 0.878,58 15.713,59 5.958,60 9.415,61 8.823,62 0.459,63 1.429,64 29.025,65 9.898,66 35.114,67 15.038,68 0.277,69 1.77,70 37.335,71 13.166,72 28.166,73 19.933,74 0.426,75 1.871,76 42.613,77 13.937,78 43.605,79 21.547,80 0.391,81 1.656,82 39.334,83 13.575,84 46.326,85 20.344,86 0.471,87 1.352,88 36.039,89 11.411,90 43.935,91 17.332,92 0.377,93 1.052,94 26.419,95 8.105,96 34.738,97 12.202,98 0.45,99 0.975,100 24.839,101 6.789,102 45.411,103 10.467,104 36,105 41,106 0.225,107 0.478,108 0.7,109 0.832,110 0.869,111 0.88,112 3.339,113 1.087,114 -5.64,115 -5.51,116 -5.14,121 35.5,122 2,123 7,125 1,126 2,127 2,130 1,144 3,145 1,146 2,161 1,176 11,179 2,180 7,183 2,185 1,187 11,192 8,197 1,200 9,206 7,211 3,214 6,218 1,219 7,224 3,227 4,231 1,232 3,237 2,239 3,243 1,244 4,247 1,249 3,251 4,255 1,256 2,259 1,261 1,264 5,269 3,277 7,281 1218,282 18.076,283 18.076,284 18.076,285 18.076,286 18.076,287 17.26,288 23.216,289 10.907,290 18.446,291 14.265,292 14.265,293 14.265,294 14.265,295 14.265,296 12.898,297 31.489,298 5.163,299 14.846,300 4.587,301 3.044,302 1.695,303 0.887,304 0.662,305 0.597,306 4.018,311 1,312 1,313 766,314 4.243,317 114.645,318 64.933,320 92.441,321 98.805,324 137.691,325 2.099,326 18.727,329 0.75,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.94,337 57.5,338 360,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 3.983,349 3.663,350 6.211,351 3.64,352 2.69,353 3.318,354 0.966,355 8.828,356 2.559,357 3.683,358 2.821,359 6.169,360 3.402,361 2.461,362 2.886,363 0.693,364 8.458,365 2.297,366 3.476,367 2.742,368 5.451,369 3.307,370 2.373,371 2.604,372 0.366,373 7.187,374 2.203,375 3.307,376 2.506,377 4.864,378 3,379 2.042,380 2.424,382 5.477,383 1.947,384 2.876,385 1.918,386 4.696,387 2.85,388 1.854,389 1.875,391 4.381,392 1.842,393 2.619,394 1.747,395 4.214,396 2.509,397 1.53,398 1.632,400 3.702,401 1.499,402 2.542,403 1.654,404 3.864,405 2.412,406 1.452,407 1.542,409 3.06,410 1.384,411 2.513,412 1.208,413 3.723,414 2.128,415 1.134,416 1.51,418 2.925,419 1.126,420 2.048,421 1.171,422 3.505,423 1.992,424 1.008,425 1.029,427 1.92,428 0.988,429 1.784,430 0.928,431 3.091,432 1.694,433 0.729,434 0.76,436 1.776,437 0.702,438 1.464,439 0.732,440 3.072,441 1.4,442 0.427,443 0.435,445 0.767,446 0.413,447 1.23,448 0.569,449 2.755,450 0.906,451 -0.034,452 -0.038,454 -0.078,455 -0.031,456 0.852,457 0.026,458 2.565,459 0.735,460 -0.256,461 -0.27,463 -0.493,464 -0.25,465 0.762,466 -0.022,467 2.427,468 0.637,469 -0.31,470 -0.333,472 -0.749,473 -0.295,474 12.867,475 0.477,476 0.703,477 0.026,478 25.75,479 0.954,480 8.5,481 0.315,482 17.25,483 0.639,484 30.459,485 1.128,486 32.133,487 0.518,488 17.558,489 0.65,490 4.252,491 0.157,492 8.717,493 0.323,494 0.181,495 0.039,496 0.256,501 0.828,502 1.625,503 1.01,504 1.376,505 0.635,506 1.233,507 0.734,508 1.024,509 0.952,510 0.975,511 0.401,512 0.973,513 0.905,514 1.252,515 0.989,516 1.146,517 0.665,518 1.087,519 1.113,520 0.968,521 1.045,522 0.97,523 0.856,524 0.985,525 1.041,526 1.184,527 1.107,528 1.224,529 1.238,530 1.185,531 1.297,532 0.764,533 0.83,534 0.763,535 1.235,536 0.757,537 1.633,538 1.042,539 1.016,540 0.998,541 1.761,542 0.96,543 2.332,544 0.914,545 1.262,546 0.877,547 3.126,548 0.948,549 5.5,550 0.11,551 3.556,552 3.271,553 1.326,554 0.701,555 0.512,556 0.344,557 0.25,558 0.155,559 9310,560 16239,561 2.005,562 56.5,563 16,564 13,565 1,567 1,569 4,572 1.694,573 1.851,574 3.588,575 -0.382,582 84.773,583 1.367,584 2.91,585 4.259,586 5.067,587 5.293,588 5.357,589 3.102,590 4.431,591 4.714,592 3.815,593 1339.06,594 8.153,595 17953.3,600 369.16,601 1.623,602 4.663,603 0.19,604 0.006,605 0.087,606 0.076,607 0.035,608 0.024,609 0.02,610 0.014,611 0.011,612 0.008,613 0.472,614 0.33,615 0.88,616 2.388,617 136.827,618 0.024,619 -0.248,620 0.068,621 -0.101,622 -0.01,623 -0.026,624 0.28,625 0.18,626 0.101,627 0.109,628 0.248,629 0.091,630 -0.013,631 -0.155,632 0.015,633 -0.072,634 0.026,635 -0.033,636 -0.099,637 0.057,638 -0.044,639 0.007,640 0.016,641 -0.004,642 0.008,643 -0.202,644 -0.118,645 -0.215,646 -0.061,647 -0.186,648 0.019,649 0.07,650 0.153,651 0.131,652 -0.039,653 0.153,654 0.032,655 -0.085,656 0.045,657 -0.042,658 -0.016,659 -0.008,660 -0.183,661 0.087,662 -0.126,663 0.035,664 -0.234,665 -0.034,666 2.014,667 5.12,668 0.444,669 30.955,670 0.985,671 1.138,672 4.413,673 19.472,674 0.615,675 3.401,676 3.738,677 4.043,678 4.369,679 4.554,680 4.654,681 4.836,682 4.898,683 4.86,684 4.852,685 7.467,686 0.563,687 373.6,688 3.401,689 4.949,690 5.814,691 6.725,692 7.628,693 8.561,694 9.487,695 10.434,696 11.374,697 12.329,698 4.8,701 1,704 1,705 1,715 3,720 3,722 6,736 1,737 1,741 62,743 7,744 1,745 29,747 64,748 22,749 6,750 3,751 3,756 3,757 6,763 2,764 1,766 1,767 1,770 7,772 7,773 15,777 1,782 1,786 1,793 35,794 5,795 1,796 5,802 3,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 4,868 27,876 9,877 1,878 1,880 1,881 2,882 1,893 3.2,896 1,898 1,901 14.583,902 12.067,903 6.069,904 4.274,907 1.278,908 1.173,909 0.922,910 6.695,911 8.683,912 3.526,913 3.998,914 4.469,915 4.993,916 5.456,917 5.711,918 6.074,919 6.315,920 6.366,921 6.377,922 0.889,923 43,924 10.075,926 4.175,927 0.026,929 7.491,931 20.116,933 16.842,936 1.991,937 53.75,941 400.217,942 102.773,943 24.259,945 36.145,948 102.773,949 436.362,950 24.259,951 34.443,952 39.964,953 28.429,954 25.145,955 28.434,956 18.534,957 388.446,959 400.217,960 127.033,961 36.145,964 353.133,965 83.229,968 60.739,969 66.294,972 400.217,973 60.404,974 102.773,977 400.217,978 39.901,979 69.121,980 18.011,981 36.145,982 400.217,983 60.404,984 102.773,986 0.574,987 0.337,988 0.185,989 0.095,990 19,991 9,992 0.141,993 9,994 2,995 1.333,996 3.912,997 221.626,998 0.333,999 12,1000 128.382,1005 20.474,1006 8.829,1007 4.27,1009 60.404,1010 6.058,1015 3.175,1017 18.011,1018 563.395,1019 33,1024 12.12,1028 -0.347,1031 61.098,1032 70.557,1034 0.23,1035 0.489,1036 0.715,1037 0.851,1038 0.889,1039 0.9,1040 4.808,1041 1.452,1042 5.838,1043 3.702,1044 4.419,1045 4.682,1046 2.466,1047 6.763,1048 4.341,1049 5.982,1050 1.134,1051 7.471,1052 3.06,1053 4.205,1054 4.559,1055 1.905,1056 8.162,1057 4.094,1058 7.302,1059 1.008,1060 9.237,1061 2.925,1062 6.138,1063 6.712,1064 3.531,1065 11.347,1066 5.994,1067 8.667,1068 0.729,1069 11.088,1070 1.92,1071 6.825,1072 7.43,1073 3.612,1074 13.666,1075 6.668,1076 10.078,1077 0.427,1078 13,1079 1.776,1080 8.293,1081 9.136,1082 4.913,1083 16.5,1084 8.112,1085 11.524,1086 -0.034,1087 14.954,1088 0.767,1089 9.373,1090 10.226,1091 5.293,1092 19.111,1093 9.184,1094 12.996,1095 -0.256,1096 16.94,1097 -0.078,1098 10.711,1099 11.773,1100 6.388,1101 21.865,1102 10.504,1103 3.737,1104 -0.31,1105 18.949,1106 -0.493,1107 11.943,1108 13.037,1109 6.931,1110 24.56,1111 11.724,1112 2.69,1113 15.306,1114 20.975,1115 -0.749,1116 13.255,1117 14.521,1118 7.902,1119 27.294,1120 13.019,1121 2.461,1122 8.828,1123 23.014,1124 4.206,1125 14.541,1126 15.869,1127 8.539,1128 30.013,1129 14.289,1130 2.373,1131 8.458,1132 25.063,1133 3.318,1134 15.852,1135 17.326,1136 9.436,1137 32.743,1138 15.581,1139 2.042,1140 7.187,1141 27.119,1142 2.886,1143 17.157,1144 18.716,1145 10.13,1146 35.468,1147 16.868,1148 1.854,1149 5.477,1150 29.181,1151 2.604,1152 18.471,1153 20.162,1154 10.981,1155 38.197,1156 18.161,1157 1.53,1158 4.381,1159 31.247,1160 2.424,1161 19.783,1162 21.573,1163 11.71,1164 40.924,1165 19.454,1166 9259,1167 12440,1168 18.781,1169 38.108,1170 43.126,1171 44.093,1172 45.868,1173 42.926,1174 42.872,1175 48.444,1176 8.422,1177 127.576,1178 41.231,1179 5.797,1180 5.973,1181 7.977,1182 5.798,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 15.201,1189 1.487,1190 1.52,1191 1.582,1192 1.48,1193 1.478,1194 1.67,1195 0.29,1196 4.399,1197 1.422,1198 4.091,1199 4.13,1200 4.038,1201 3.995,1202 7.435,1203 4.001,1204 3.796,1205 3.862,1206 3.658,1207 3.665,1208 4.834,1209 3.647,1210 3.708,1211 3.752,1212 3.602,1213 3.564,1214 4.451,1215 3.569,1216 3.604,1217 3.677,1218 3.457,1219 3.439,1220 4.257,1221 3.426,1222 3.412,1223 3.475,1224 3.272,1225 3.168,1226 4.162,1227 3.186,1228 3.29,1229 3.386,1230 3.11,1231 3.069,1232 4.062,1233 3.065,1234 3.245,1235 3.34,1236 3.042,1237 3.04,1238 3.906,1239 3.027,1240 3.134,1241 3.2,1242 2.935,1243 2.884,1244 3.874,1245 2.898,1246 0.167,1247 0.137,1248 0.276,1249 0.163,1250 0.129,1251 4.832,1252 0.145,1253 3.973,1254 0.075,1255 8.006,1256 0.528,1257 4.714,1258 0.126,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.903,1265 1.884,1266 2.05,1267 1.999,1268 1.398,1269 2.003,1270 1.796,1271 1.733,1272 2.004,1273 1.957,1274 1.31,1275 1.987,1276 1.634,1277 1.578,1278 1.895,1279 1.837,1280 1.185,1281 1.847,1282 1.612,1283 1.54,1284 1.832,1285 1.823,1286 1.057,1287 1.837,1288 1.533,1289 1.452,1290 1.787,1291 1.751,1292 1.013,1293 1.773,1294 1.352,1295 1.28,1296 1.66,1297 1.621,1298 0.889,1299 1.63,1300 1.229,1301 1.141,1302 1.579,1303 1.492,1304 0.644,1305 1.526,1306 1.076,1307 1.012,1308 1.453,1309 1.371,1310 0.572,1311 1.381,1312 4.078,1314 5.407,1315 3.045,1316 6.938,1317 5.638,1318 8.584,1319 7.921,1320 10.306,1322 8.891,1328 10.183,1329 2.882,1330 5.558,1332 0.379,1333 4.762,1334 0.09,1340 34.923,1341 84.773,1342 180.419,1343 264.083,1344 314.141,1345 328.141,1346 332.141,1347 50.751,1348 7.405,1349 44.81,1350 44.81,1351 16,1352 12.818,1353 3,1354 2.322,1355 47.6,1356 118,1357 161,1358 0.195,1359 216.288,1360 381.2,1361 519.502,1362 16131,1364 19.441,1365 0.72,1366 0.644,1367 19.441,1368 17.384,1369 12.969,1370 0.447,1371 0.362,1372 10.377,1373 12.508,1374 9.995,1375 8.417,1376 12.969,1377 10.504,1378 11.607,1379 0.283,1380 0.205,1381 11.607,1382 8.396,1383 9.65,1384 0.172,1385 0.113,1386 9.65,1387 6.312,1388 8.372,1389 0.107,1390 0.062,1391 8.372,1392 4.858,1393 6.335,1394 0.067,1395 0.034,1396 6.335,1397 3.185,1398 0.317,1399 80.946,1400 0.231,1401 26.544,1402 0.507,1403 140,1404 327.094,1405 153.025,1406 313.145,1407 433.79,1408 294,1409 167,1410 326.529,1411 180.309,1412 330.787,1413 489.45,1414 309,1415 7.81}
{0 CHEMBL74257,1 1.455,2 10.308,3 3.934,4 15.476,5 103.009,6 6.892,7 0.414,8 4.025,9 4.151,10 3.539,11 3.548,12 5.041,13 3.518,14 4.603,15 4.795,16 3.945,17 3.986,18 5.591,19 3.937,20 4.859,21 5.051,22 4.026,23 4.188,24 5.757,25 4.102,26 5.057,27 5.307,28 3.943,29 4.232,30 5.892,31 4.111,32 5.002,33 5.241,34 3.874,35 4.206,36 5.844,37 4.059,38 5.038,39 5.325,40 3.785,41 4.124,42 5.801,43 3.969,44 4.811,45 5.055,46 3.711,47 3.991,48 5.708,49 3.857,50 4.731,51 4.987,52 3.503,53 3.826,54 5.702,55 3.684,56 0.032,57 0.747,58 11.558,59 4.727,60 8.62,61 6.551,62 0.407,63 1.25,64 22.239,65 7.796,66 33.984,67 11.242,68 0.174,69 1.557,70 28.394,71 10.898,72 27.28,73 15.38,74 0.406,75 1.772,76 36.471,77 12.215,78 45.394,79 17.914,80 0.259,81 1.669,82 33.667,83 12.902,84 36.896,85 18.546,86 0.406,87 1.592,88 36.565,89 13.058,90 44.8,91 18.966,92 0.296,93 1.344,94 28.247,95 10.58,96 34.173,97 15.018,98 0.386,99 1.2,100 26.772,101 9.03,102 48.925,103 12.946,104 20,105 43,106 0.245,107 0.573,108 0.768,109 0.854,110 0.863,111 0.863,112 3.305,113 0.939,114 -4.26,115 -4.2,116 -3.97,121 41.2,122 1,123 1,125 1,126 2,127 2,130 1,144 8,145 2,146 2,161 1,176 11,179 2,180 8,183 2,187 12,192 10,200 8,206 8,211 2,214 5,218 1,219 8,224 2,227 8,231 1,232 3,237 1,239 10,243 1,244 3,247 1,249 2,251 11,255 1,256 1,259 1,264 8,269 2,277 4,281 948,282 17.557,283 17.557,284 17.557,285 17.557,286 17.557,287 15.99,288 25.345,289 10.127,290 17.937,291 14.237,292 14.237,293 14.237,294 14.237,295 14.237,296 11.814,297 34.993,298 4.744,299 14.806,300 4.217,301 2.275,302 1.118,303 0.608,304 0.554,305 0.554,306 3.998,310 1,311 1,312 1,313 580,314 3.536,317 89.987,318 131.208,320 73.262,321 82.702,324 113.647,325 1.893,326 17.115,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 55.5,338 268,339 4.835,340 3.979,341 8.009,342 4.718,343 3.741,344 4.207,345 2.186,346 15.336,347 3.659,348 4.01,349 3.658,350 6.269,351 3.681,352 2.725,353 3.465,354 1.013,355 9.026,356 2.611,357 3.896,358 2.985,359 6.176,360 3.546,361 2.577,362 3.308,363 0.763,364 8.687,365 2.501,366 3.671,367 2.747,368 5.491,369 3.393,370 2.454,371 2.88,372 0.366,373 7.348,374 2.286,375 3.472,376 2.649,377 5.377,378 3.244,379 2.287,380 2.594,381 0.191,382 6.852,383 2.165,384 3.313,385 2.414,386 4.891,387 2.953,388 1.989,389 2.461,391 5.34,392 1.901,393 2.91,394 1.784,395 4.705,396 2.532,397 1.561,398 2.061,400 4.622,401 1.514,402 2.6,403 1.485,404 4.22,405 2.331,406 1.357,407 1.617,409 3.064,410 1.316,411 2.518,412 1.169,413 3.723,414 2.126,415 1.132,416 1.523,418 3.01,419 1.125,420 2.5,421 1.106,422 3.595,423 2,424 1,425 1.5,427 2.136,428 1,429 1.8,430 1,431 3.247,432 1.706,433 0.742,434 0.776,436 1.848,437 0.713,438 1.509,439 0.916,440 3.125,441 1.307,442 0.393,443 0.418,445 0.611,446 0.355,447 1.265,448 0.659,449 2.948,450 0.993,451 0.03,452 0.033,454 0.077,455 0.028,456 1.126,457 0.284,458 2.812,459 0.793,460 -0.174,461 -0.216,463 -0.395,464 -0.166,465 0.709,466 -0.167,467 2.505,468 0.431,469 -0.541,470 -0.597,472 -1.37,473 -0.525,474 12.367,475 0.476,476 0.733,477 0.028,478 31.75,479 1.221,480 14.5,481 0.558,482 17.25,483 0.663,484 23.648,485 0.91,486 28.433,487 0.558,488 23.221,489 0.893,490 6.23,491 0.24,492 6.295,493 0.242,494 0.148,495 0.04,496 0.307,501 0.812,502 1.438,503 0.842,504 1.17,505 0.62,506 1.03,507 0.756,508 0.859,509 0.851,510 0.792,511 0.434,512 0.809,513 0.952,514 1.345,515 1.046,516 1.228,517 0.679,518 1.164,519 1.185,520 0.955,521 1.115,522 0.945,523 0.892,524 0.999,525 0.707,526 1.198,527 1.075,528 1.245,529 0.763,530 1.215,531 0.868,532 0.8,533 0.836,534 0.828,535 0.687,536 0.834,537 0.874,538 1.056,539 0.997,540 1.098,541 0.879,542 1.078,543 1.276,544 0.919,545 1.136,546 0.986,547 1.797,548 1.039,549 6,550 0.058,551 3.556,552 3.208,553 1.557,554 1.004,555 0.836,556 0.476,557 0.262,558 0.085,559 7506,560 17738,561 2.092,562 49,563 3,564 18,565 1,567 1,569 2,572 1.693,573 1.938,574 3.296,575 -0.37,577 1,582 74.204,583 1.455,584 3.398,585 4.554,586 5.064,587 5.118,588 5.118,589 2.83,590 4.287,591 4.662,592 3.451,593 1121.48,594 8.099,595 13420.4,597 1,599 1,600 289.294,601 1.619,602 4.616,603 0.207,604 0.006,605 0.083,606 0.071,607 0.039,608 0.028,609 0.025,610 0.015,611 0.011,612 0.006,613 0.491,614 0.33,615 1,616 1.139,617 125.361,618 -0.003,619 -0.221,620 0.075,621 -0.08,622 -0.035,623 -0.007,624 0.254,625 0.304,626 0.12,627 0.204,628 0.214,629 0.16,630 -0.062,631 -0.266,632 -0.101,633 -0.191,634 0.005,635 -0.16,636 -0.177,637 0.07,638 -0.13,639 0.012,640 -0.055,641 -0.038,642 0.031,643 -0.207,644 -0.132,645 -0.23,646 -0.032,647 -0.207,648 0.036,649 0.095,650 0.148,651 0.146,652 0.005,653 0.158,654 0.055,655 -0.093,656 -0.029,657 -0.095,658 0.004,659 -0.081,660 -0.072,661 0.039,662 -0.129,663 -0.033,664 -0.151,665 -0.083,666 2.102,667 4.557,668 0.692,669 25.722,670 0.994,671 1.127,672 3.034,673 9.203,674 0.653,675 3.401,676 3.784,677 4.127,678 4.477,679 4.727,680 4.868,681 5.106,682 5.252,683 5.318,684 5.38,685 5.898,686 0.614,687 351.49,688 3.401,689 4.977,690 5.866,691 6.795,692 7.714,693 8.657,694 9.594,695 10.547,696 11.494,697 12.453,698 5.9,701 1,704 1,705 1,715 8,720 4,722 12,736 1,737 1,741 51,743 13,744 2,745 29,747 54,748 21,749 12,750 4,751 8,756 4,757 7,763 1,764 1,766 1,767 1,770 1,772 13,773 8,777 1,782 1,786 1,790 1,793 25,794 5,795 1,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 3,868 26,876 3,877 1,878 1,880 1,881 2,882 1,893 3.9,896 1,898 1,901 13.417,902 9.983,903 5.653,904 3.035,907 2.21,908 1.285,909 0.967,910 4.412,911 9.965,912 3.611,913 4.174,914 4.7,915 5.242,916 5.742,917 5.917,918 6.307,919 6.624,920 6.817,921 7.033,922 1,923 45,924 9.626,926 4.113,927 0.026,929 7.593,931 18.82,933 16.001,936 2.093,937 54.417,939 1,940 1,941 282.506,942 129.308,943 24.259,945 36.145,948 129.308,949 318.651,950 24.259,951 25.618,952 24.757,953 75.81,954 25.145,955 31.62,956 18.534,957 270.735,959 282.506,960 153.567,961 36.145,964 258.964,965 59.687,968 36.706,969 116.861,972 282.506,973 60.404,974 129.308,977 282.506,978 27.88,979 107.677,980 18.011,981 36.145,982 282.506,983 60.404,984 129.308,986 0.59,987 0.356,988 0.195,989 0.108,990 23,991 10,992 0.074,993 4,994 2,995 1.222,996 3.701,997 232.983,998 0.222,999 18,1000 118.211,1005 17.379,1006 6.6,1007 2.908,1009 60.404,1010 16.602,1015 4.422,1017 18.011,1018 472.218,1019 36,1024 11.557,1028 -0.435,1031 50.68,1032 57.481,1034 0.256,1035 0.599,1036 0.803,1037 0.893,1038 0.902,1039 0.902,1040 4.898,1041 1.357,1042 5.905,1043 4.622,1044 4.466,1045 4.86,1046 2.511,1047 6.847,1048 4.391,1049 6.108,1050 1.132,1051 7.549,1052 3.064,1053 4.29,1054 4.691,1055 1.905,1056 8.227,1057 4.19,1058 7.441,1059 1,1060 9.315,1061 3.01,1062 6.213,1063 6.963,1064 3.546,1065 11.405,1066 6.076,1067 8.811,1068 0.742,1069 11.16,1070 2.136,1071 6.899,1072 7.57,1073 3.617,1074 13.7,1075 6.748,1076 10.219,1077 0.393,1078 13.062,1079 1.848,1080 8.362,1081 9.375,1082 4.916,1083 16.53,1084 8.187,1085 11.657,1086 0.03,1087 15.006,1088 0.611,1089 9.426,1090 10.353,1091 5.294,1092 19.133,1093 9.239,1094 13.118,1095 -0.174,1096 16.982,1097 0.077,1098 10.761,1099 11.966,1100 6.389,1101 21.886,1102 10.555,1103 3.741,1104 -0.541,1105 18.983,1106 -0.395,1107 11.98,1108 13.144,1109 6.931,1110 24.58,1111 11.76,1112 2.725,1113 15.336,1114 21.002,1115 -1.37,1116 13.289,1117 14.663,1118 7.902,1119 27.316,1120 13.05,1121 2.577,1122 9.026,1123 23.037,1124 4.207,1125 14.568,1126 15.953,1127 8.539,1128 30.035,1129 14.312,1130 2.454,1131 8.687,1132 25.082,1133 3.465,1134 15.877,1135 17.427,1136 9.436,1137 32.767,1138 15.602,1139 2.287,1140 7.348,1141 27.135,1142 3.308,1143 17.18,1144 18.78,1145 10.13,1146 35.494,1147 16.885,1148 1.989,1149 6.852,1150 29.196,1151 2.88,1152 18.492,1153 20.232,1154 10.981,1155 38.224,1156 18.177,1157 1.561,1158 5.34,1159 31.26,1160 2.594,1161 19.804,1162 21.621,1163 11.71,1164 40.954,1165 19.468,1166 7249,1167 11238,1168 19.186,1169 33.302,1170 44.322,1171 45.319,1172 46.483,1173 43.956,1174 43.976,1175 53.686,1176 9.039,1177 135.911,1178 42.346,1179 5.801,1180 5.979,1181 7.811,1182 5.784,1183 5.741,1184 7.207,1185 3.889,1186 23.877,1187 5.659,1188 12.789,1189 1.528,1190 1.563,1191 1.603,1192 1.516,1193 1.516,1194 1.851,1195 0.312,1196 4.687,1197 1.46,1198 4.1,1199 4.139,1200 4.046,1201 4.004,1202 7.435,1203 4.009,1204 3.896,1205 3.927,1206 3.825,1207 3.838,1208 4.84,1209 3.831,1210 3.693,1211 3.731,1212 3.615,1213 3.553,1214 4.746,1215 3.556,1216 3.512,1217 3.578,1218 3.416,1219 3.209,1220 4.433,1221 3.253,1222 3.291,1223 3.388,1224 3.117,1225 3.071,1226 4.205,1227 3.063,1228 3.232,1229 3.313,1230 3.07,1231 3.057,1232 4.032,1233 3.056,1234 3.012,1235 3.105,1236 2.789,1237 2.849,1238 3.873,1239 2.822,1240 2.969,1241 3.014,1242 2.77,1243 2.735,1244 3.809,1245 2.715,1246 0.167,1247 0.137,1248 0.276,1249 0.163,1250 0.129,1251 4.835,1252 0.145,1253 3.979,1254 0.075,1255 8.009,1256 0.529,1257 4.718,1258 0.126,1259 3.741,1260 4.207,1261 2.186,1262 15.336,1263 3.659,1264 1.913,1265 1.885,1266 2.043,1267 2.011,1268 1.31,1269 2.022,1270 1.902,1271 1.881,1272 2.003,1273 1.988,1274 1.199,1275 1.992,1276 1.628,1277 1.575,1278 1.83,1279 1.806,1280 1.033,1281 1.817,1282 1.502,1283 1.429,1284 1.729,1285 1.757,1286 0.967,1287 1.745,1288 1.399,1289 1.326,1290 1.688,1291 1.693,1292 0.683,1293 1.7,1294 1.218,1295 1.127,1296 1.564,1297 1.475,1298 0.644,1299 1.509,1300 1.05,1301 0.97,1302 1.405,1303 1.27,1304 0.584,1305 1.323,1306 0.886,1307 0.833,1308 1.181,1309 1.209,1310 0.365,1311 1.176,1312 4.078,1314 5.442,1315 3.045,1316 7.011,1317 5.638,1318 8.679,1319 7.928,1320 10.41,1322 6.061,1328 3.09,1329 2.5,1330 5.358,1332 0.313,1333 4.92,1334 0.029,1340 31.289,1341 74.204,1342 173.294,1343 232.274,1344 258.274,1345 261.029,1346 261.029,1347 36.941,1348 7.755,1349 44.81,1350 44.81,1351 22,1352 12.939,1353 3.807,1354 3,1355 37.961,1356 91,1357 102,1358 0.213,1359 190.52,1360 332.72,1361 456.628,1362 23155,1364 18.311,1365 0.704,1366 0.597,1367 18.311,1368 15.528,1369 12.525,1370 0.432,1371 0.313,1372 8.949,1373 12.062,1374 8.621,1375 7.177,1376 12.525,1377 9.077,1378 11.628,1379 0.27,1380 0.173,1381 11.628,1382 7.427,1383 10.218,1384 0.168,1385 0.095,1386 10.218,1387 5.807,1388 8.844,1389 0.102,1390 0.053,1391 8.844,1392 4.593,1393 7.225,1394 0.065,1395 0.029,1396 7.225,1397 3.261,1398 0.326,1399 78.299,1400 0.228,1401 24.764,1402 0.61,1403 144,1404 363.094,1405 157.025,1406 351.032,1407 489.14,1408 330,1409 176,1410 369.599,1411 189.475,1412 376.194,1413 556.51,1414 352,1415 6.601}
{0 CHEMBL74340,1 1.26,2 13.448,3 5.764,4 33.219,5 123.721,6 6.2,7 0.375,8 4.194,9 4.332,10 3.612,11 3.77,12 5.081,13 3.699,14 4.799,15 5.005,16 3.94,17 4.2,18 5.599,19 4.091,20 5.143,21 5.387,22 4.037,23 4.406,24 5.922,25 4.257,26 5.245,27 5.529,28 3.856,29 4.366,30 5.964,31 4.17,32 5.123,33 5.415,34 3.776,35 4.235,36 5.852,37 4.044,38 4.99,39 5.268,40 3.7,41 4.123,42 5.77,43 3.955,44 4.88,45 5.123,46 3.63,47 4.073,48 5.739,49 3.905,50 4.912,51 5.202,52 3.455,53 4.02,54 5.585,55 3.807,56 0.071,57 0.873,58 15.231,59 6.479,60 8.129,61 9.234,62 0.172,63 1.495,64 27.855,65 11.049,66 16.021,67 16.093,68 0.254,69 1.971,70 38.973,71 15.411,72 33.432,73 22.366,74 0.31,75 2.047,76 42.821,77 16.598,78 39.813,79 24.176,80 0.306,81 1.785,82 37.746,83 14.835,84 36.909,85 21.536,86 0.278,87 1.565,88 33.413,89 12.67,90 32.977,91 18.265,92 0.303,93 1.421,94 30.204,95 11.851,96 37.681,97 16.71,98 0.205,99 1.438,100 30.385,101 12.193,102 27.798,103 17.614,104 5,105 43,106 0.204,107 0.492,108 0.73,109 0.854,110 0.866,111 0.866,112 3.407,113 1.064,114 -5.7,115 -5.56,116 -5.19,121 41.3,122 1,123 7,124 1,127 4,144 7,145 4,146 1,159 1,176 18,180 5,185 3,187 20,192 6,197 4,200 16,206 5,211 1,214 12,219 6,222 1,224 1,227 14,232 1,237 1,239 14,243 1,244 3,249 1,251 15,256 2,261 2,264 11,269 2,277 9,281 1369,282 19.878,283 19.878,284 19.878,285 19.878,286 19.878,287 18.286,288 26.005,289 11.97,290 20.017,291 15.831,292 15.831,293 15.831,294 15.831,295 15.831,296 13.355,297 30.504,298 5.756,299 16.038,300 4.717,301 2.931,302 1.459,303 0.691,304 0.615,305 0.615,306 4.11,312 1,313 854,314 3.082,318 282.373,319 102.763,323 155.279,325 2.226,326 17.196,329 0.75,330 1,331 1,332 1,333 1,334 1,335 1,336 0.96,337 60,338 390,339 4.331,340 3.606,341 6.248,342 3.97,343 2.972,344 3.973,345 1.277,346 9.413,347 2.971,348 4.061,349 3.04,350 5.898,351 3.734,352 2.761,353 3.653,354 0.916,355 8.153,356 2.697,357 3.895,358 3.033,359 5.661,360 3.623,361 2.614,362 3.236,363 0.4,364 7.923,365 2.63,366 3.638,367 2.68,368 5.39,369 3.512,370 2.518,371 2.708,372 0.172,373 7.102,374 2.499,375 3.342,376 2.36,377 5.093,378 3.161,379 2.192,380 2.499,382 6.266,383 2.119,384 3.048,385 2.061,386 4.651,387 2.801,388 1.82,389 2.115,391 5.025,392 1.78,393 2.948,394 1.995,395 4.469,396 2.649,397 1.685,398 2.082,400 4.508,401 1.643,402 2.866,403 1.928,404 4.167,405 2.644,406 1.643,407 1.902,409 3.798,410 1.622,411 2.655,412 1.584,413 3.716,414 2.399,415 1.386,416 1.723,418 3.251,419 1.399,420 2.609,421 1.243,422 3.482,423 2.186,424 1.187,425 1.609,427 2.597,428 1.186,429 2.072,430 1.089,431 3.414,432 1.984,433 1,434 1.014,436 2.275,437 0.983,438 2,439 1.077,440 3.272,441 1.852,442 0.869,443 1,445 1.963,446 0.853,447 1.754,448 0.95,449 3.118,450 1.585,451 0.564,452 0.631,454 1.315,455 0.572,456 1.221,457 0.381,458 2.841,459 1.038,460 0.056,461 0.062,463 0.144,464 0.055,465 1.079,466 0.164,467 2.455,468 0.837,469 -0.15,470 -0.167,472 -0.349,473 -0.147,474 14.133,475 0.487,476 0.588,477 0.02,478 31.5,479 1.086,480 14,481 0.483,482 17.5,483 0.603,484 29.829,485 1.029,486 32.067,487 0.509,488 20.308,489 0.7,490 5.529,491 0.191,492 8.641,493 0.298,494 0.059,496 0.276,501 0.755,502 1.271,503 0.98,504 1.133,505 0.561,506 1.078,507 0.971,508 1.134,509 1.056,510 1.07,511 0.575,512 1.06,513 1.024,514 1.137,515 1.071,516 1.105,517 0.889,518 1.091,519 1.116,520 1.038,521 1.062,522 1.045,523 1.109,524 1.049,525 0.864,526 0.956,527 0.915,528 0.962,529 1.009,530 0.946,531 1.515,532 0.888,533 1.013,534 0.916,535 1.728,536 0.929,537 1.711,538 1.088,539 1.225,540 1.135,541 2.331,542 1.158,543 0.966,544 1.048,545 1.025,546 1.052,547 1.142,548 1.05,549 5.5,550 0.098,551 2.667,552 1.313,553 1.308,554 0.802,555 0.45,556 0.292,557 0.22,558 0.133,559 13069,560 23628,561 2.132,562 54,563 10,564 15,567 1,568 2,569 6,572 1.711,573 2.047,574 3.714,575 -0.473,582 79.383,583 1.26,584 3.047,585 4.519,586 5.287,587 5.362,588 5.362,589 3.142,590 4.651,591 4.831,592 3.915,593 1589.41,594 8.366,595 23073.2,600 376.569,601 1.178,602 4.812,603 0.172,604 0.004,605 0.062,606 0.029,607 0.037,608 0.024,609 0.015,610 0.01,611 0.01,612 0.006,613 0.37,614 0.5,615 0.88,616 0.434,617 151.656,618 0.022,619 -0.052,620 0.06,621 0.013,622 0.018,623 0.034,624 -0.055,625 0.004,626 -0.033,627 -0.017,628 0.033,629 -0.02,630 -0.041,631 -0.093,632 -0.071,633 -0.09,634 0.013,635 -0.083,636 -0.061,637 -0.067,638 -0.078,639 -0.075,640 -0.041,641 -0.077,642 0.12,643 -0.008,644 0.06,645 0.007,646 0.033,647 0.026,648 -0.093,649 0.081,650 -0.003,651 0.048,652 -0.113,653 0.033,654 -0.077,655 -0.102,656 -0.197,657 -0.131,658 -0.207,659 -0.17,660 -0.036,661 -0.111,662 -0.059,663 -0.074,664 -0.09,665 -0.072,666 1.36,667 5.758,668 0.793,669 32.573,670 0.979,671 1.125,672 4.468,673 19.962,674 0.645,675 3.497,676 3.784,677 4.007,678 4.22,679 4.454,680 4.5,681 4.511,682 4.595,683 4.682,684 4.745,685 8.048,686 0.59,687 390.62,688 3.497,689 5.017,690 5.844,691 6.693,692 7.532,693 8.385,694 9.228,695 10.082,696 10.927,697 11.782,698 3.2,701 1,703 1,715 7,720 5,722 12,727 1,734 1,741 63,743 13,744 2,745 32,747 66,748 26,749 12,750 5,751 7,752 1,756 4,757 5,763 1,767 5,768 1,770 7,772 13,773 13,774 1,777 1,782 1,786 1,793 34,794 3,795 1,796 3,802 2,808 0.75,809 1,829 3,830 1,834 1,855 1,859 3,864 1,868 29,876 11,877 1,880 1,881 1,893 1.6,896 1,901 14.167,902 11.283,903 6.389,904 4.279,907 2.051,908 1.267,909 0.983,910 6.791,911 9.73,912 3.689,913 4.19,914 4.659,915 5.118,916 5.596,917 5.676,918 5.784,919 5.856,920 5.985,921 6.127,922 0.889,923 45,924 10.838,926 4.562,927 0.026,929 7.408,931 21.869,933 18.679,936 1.908,937 55.333,941 388.446,942 121.956,943 21.135,945 25.145,948 121.956,949 413.591,950 21.135,951 8.825,952 26.165,953 66.334,954 48.289,955 18.623,957 388.446,959 388.446,960 143.091,961 25.145,964 317.82,965 95.772,968 38.114,969 86.966,970 18.011,972 388.446,973 46.28,974 121.956,977 388.446,978 46.797,979 78.283,980 18.011,981 25.145,982 388.446,983 46.28,984 121.956,986 0.574,987 0.325,988 0.171,989 0.096,990 20,991 8,992 0.091,993 6,994 1,995 1.087,996 4.272,997 242.033,998 0.087,999 23,1000 134.881,1005 20.317,1006 9.693,1007 5.556,1009 46.28,1010 15.123,1015 6.173,1017 18.011,1018 556.682,1019 39,1024 12.758,1028 0.307,1031 61.669,1032 70.849,1034 0.211,1035 0.51,1036 0.756,1037 0.884,1038 0.897,1039 0.897,1040 4.92,1041 1.643,1042 5.796,1043 4.508,1044 4.466,1045 4.875,1046 1.806,1047 6.529,1048 4.444,1049 6.067,1050 1.386,1051 7.303,1052 3.798,1053 3.892,1054 4.527,1055 0.325,1056 7.235,1057 3.871,1058 7.335,1059 1.187,1060 8.904,1061 3.251,1062 5.989,1063 6.912,1064 1.993,1065 10.286,1066 5.948,1067 8.631,1068 1,1069 10.56,1070 2.597,1071 6.217,1072 7.378,1073 0.393,1074 11.806,1075 6.184,1076 9.959,1077 0.869,1078 12.251,1079 2.275,1080 7.751,1081 9.251,1082 2.342,1083 14.337,1084 7.699,1085 11.309,1086 0.564,1087 13.967,1088 1.963,1089 8.376,1090 10.111,1091 0.384,1092 16.215,1093 8.333,1094 12.676,1095 0.056,1096 15.7,1097 1.315,1098 9.654,1099 11.752,1100 2.756,1101 18.549,1102 9.595,1103 2.972,1104 -0.15,1105 17.446,1106 0.144,1107 10.485,1108 12.822,1109 0.351,1110 20.598,1111 10.433,1112 2.761,1113 9.413,1114 19.203,1115 -0.349,1116 11.641,1117 14.343,1118 3.203,1119 22.854,1120 11.579,1121 2.614,1122 8.153,1123 20.968,1124 3.973,1125 12.581,1126 15.53,1127 0.312,1128 24.988,1129 12.523,1130 2.518,1131 7.923,1132 22.739,1133 3.653,1134 13.68,1135 16.985,1136 3.667,1137 27.217,1138 13.616,1139 2.192,1140 7.102,1141 24.517,1142 3.236,1143 14.677,1144 18.242,1145 0.273,1146 29.394,1147 14.615,1148 1.82,1149 6.266,1150 26.299,1151 2.708,1152 15.753,1153 19.658,1154 4.143,1155 31.615,1156 15.686,1157 1.685,1158 5.025,1159 28.086,1160 2.499,1161 16.781,1162 20.958,1163 0.236,1164 33.816,1165 16.716,1166 12184,1167 16475,1168 21.959,1169 40.648,1170 46.754,1171 47.822,1172 47.591,1173 46.542,1174 46.531,1175 56.416,1176 5.533,1177 127.465,1178 46.017,1179 5.331,1180 5.606,1181 6.004,1182 5.005,1183 4.972,1184 6.973,1185 2.555,1186 15.785,1187 4.971,1188 10.166,1189 1.461,1190 1.494,1191 1.487,1192 1.454,1193 1.454,1194 1.763,1195 0.173,1196 3.983,1197 1.438,1198 4.026,1199 4.064,1200 3.957,1201 3.947,1202 7.427,1203 3.945,1204 3.952,1205 3.99,1206 3.879,1207 3.883,1208 4.752,1209 3.877,1210 3.837,1211 3.886,1212 3.72,1213 3.73,1214 4.714,1215 3.719,1216 3.644,1217 3.696,1218 3.523,1219 3.509,1220 4.318,1221 3.502,1222 3.458,1223 3.524,1224 3.31,1225 3.306,1226 4.152,1227 3.299,1228 3.263,1229 3.332,1230 3.118,1231 3.118,1232 3.935,1233 3.107,1234 3.204,1235 3.295,1236 3.026,1237 3.016,1238 3.861,1239 3.004,1240 3.111,1241 3.206,1242 2.926,1243 2.941,1244 3.833,1245 2.921,1246 0.135,1247 0.113,1248 0.195,1249 0.124,1250 0.093,1251 4.331,1252 0.124,1253 3.606,1254 0.04,1255 6.248,1256 0.294,1257 3.97,1258 0.093,1259 2.972,1260 3.973,1261 1.277,1262 9.413,1263 2.971,1264 1.959,1265 1.931,1266 2.11,1267 2.077,1268 1.485,1269 2.091,1270 1.939,1271 1.912,1272 2.052,1273 2.026,1274 1.313,1275 2.034,1276 1.841,1277 1.791,1278 2.017,1279 1.961,1280 1.207,1281 1.983,1282 1.671,1283 1.605,1284 1.922,1285 1.854,1286 1.163,1287 1.884,1288 1.507,1289 1.451,1290 1.741,1291 1.708,1292 1.019,1293 1.721,1294 1.295,1295 1.231,1296 1.583,1297 1.496,1298 0.825,1299 1.524,1300 1.194,1301 1.117,1302 1.513,1303 1.404,1304 0.778,1305 1.442,1306 1.153,1307 1.064,1308 1.491,1309 1.376,1310 0.695,1311 1.429,1312 4.174,1314 5.468,1316 6.944,1317 2.708,1318 8.502,1319 5.094,1320 10.102,1322 2.16,1328 12.069,1329 3.496,1332 0.687,1333 2.561,1340 37.186,1341 79.383,1342 191.935,1343 284.678,1344 333.059,1345 337.814,1346 337.814,1347 47.727,1348 7.679,1349 32.34,1350 32.34,1351 25,1352 12.338,1353 3.807,1354 3,1355 45.166,1356 143,1357 119,1358 0.152,1359 227.691,1360 399.43,1361 547.326,1362 26909,1364 20.054,1365 0.692,1366 0.612,1367 20.054,1368 17.752,1369 14.17,1370 0.443,1371 0.355,1372 11.285,1373 13.929,1374 10.974,1375 9.107,1376 14.17,1377 11.351,1378 12.546,1379 0.292,1380 0.208,1381 12.546,1382 8.926,1383 10.343,1384 0.192,1385 0.122,1386 10.343,1387 6.596,1388 8.339,1389 0.124,1390 0.071,1391 8.339,1392 4.777,1393 6.886,1394 0.081,1395 0.042,1396 6.886,1397 3.549,1398 0.249,1399 86.663,1400 0.213,1401 28.383,1402 0.388,1403 150,1404 307.714,1405 155.906,1406 307.316,1407 425.73,1408 290,1409 172,1410 310.439,1411 178.49,1412 321.122,1413 464.76,1414 303,1415 6.65}
{0 CHEMBL74359,1 1.298,2 12.538,3 4.365,4 19.053,5 109.478,6 6.454,7 0.414,8 4.054,9 4.187,10 3.513,11 3.64,12 4.973,13 3.578,14 4.649,15 4.844,16 3.842,17 4.069,18 5.487,19 3.972,20 4.966,21 5.211,22 3.83,23 4.212,24 5.76,25 4.06,26 5.01,27 5.287,28 3.669,29 4.138,30 5.759,31 3.952,32 4.919,33 5.215,34 3.604,35 4.017,36 5.668,37 3.838,38 4.762,39 5.016,40 3.566,41 3.942,42 5.613,43 3.791,44 4.734,45 4.99,46 3.403,47 3.897,48 5.562,49 3.715,50 4.653,51 4.947,52 3.286,53 3.792,54 5.28,55 3.589,56 0.057,57 0.754,58 12.692,59 5.423,60 6.67,61 7.653,62 0.149,63 1.3,64 23.521,65 9.271,66 13.75,67 13.392,68 0.221,69 1.642,70 32.534,71 12.849,72 29.804,73 18.481,74 0.25,75 1.628,76 34.193,77 13.323,78 34.694,79 19.174,80 0.284,81 1.461,82 31.335,83 12.01,84 32.335,85 17.41,86 0.228,87 1.271,88 26.847,89 10.309,90 29.012,91 14.554,92 0.283,93 1.223,94 26.106,95 10.188,96 37.517,97 14.364,98 0.128,99 1.143,100 23.534,101 9.607,102 16.271,103 13.996,104 2,105 39,106 0.216,107 0.52,108 0.717,109 0.825,110 0.842,111 0.842,112 3.303,113 1.028,114 -5.07,115 -4.97,116 -4.66,121 42.6,123 5,124 1,127 4,144 8,145 3,146 1,159 1,176 15,180 5,185 3,187 16,192 6,197 2,200 12,206 5,211 1,214 7,219 5,222 1,224 1,227 11,232 1,237 1,239 14,243 1,244 1,249 1,251 11,256 2,261 2,264 8,269 2,277 6,281 1010,282 18.016,283 18.016,284 18.016,285 18.016,286 18.016,287 16.449,288 21.748,289 10.851,290 18.156,291 14.348,292 14.348,293 14.348,294 14.348,295 14.348,296 11.944,297 26.584,298 5.209,299 14.553,300 4.456,301 2.634,302 1.454,303 0.806,304 0.704,305 0.704,306 4.006,311 1,312 1,313 724,314 3,317 69.932,318 261.733,321 120.582,325 2.112,326 15.696,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 54,338 326,339 4.342,340 3.606,341 6.257,342 3.985,343 2.989,344 3.981,345 1.277,346 9.438,347 2.981,348 3.942,349 3.075,350 5.904,351 3.7,352 2.731,353 3.457,354 0.916,355 8.171,356 2.667,357 3.906,358 3.017,359 5.616,360 3.613,361 2.607,362 3.247,363 0.4,364 7.783,365 2.6,366 3.595,367 2.557,368 5.329,369 3.447,370 2.447,371 2.634,372 0.172,373 6.937,374 2.446,375 3.178,376 2.226,377 4.955,378 3.027,379 2.072,380 2.25,382 5.867,383 1.969,384 2.899,385 1.965,386 4.405,387 2.517,388 1.535,389 2.032,391 4.286,392 1.521,393 2.87,394 1.76,395 4.163,396 2.509,397 1.5,398 1.968,400 3.778,401 1.493,402 2.803,403 1.52,404 3.593,405 2.407,406 1.41,407 1.857,409 3.039,410 1.404,411 2.5,412 1.222,413 3.437,414 2.028,415 1.056,416 1.5,418 2.383,419 1.024,420 2.178,421 1.087,422 3.414,423 2,424 1,425 1.151,427 2.275,428 1,429 2,430 1.077,431 3.247,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.769,439 1,440 3.132,441 1.611,442 0.6,443 0.67,445 1.392,446 0.603,447 1.618,448 0.64,449 2.985,450 1.352,451 0.365,452 0.433,454 0.895,455 0.36,456 1.216,457 0.369,458 2.758,459 1.026,460 0.039,461 0.044,463 0.096,464 0.038,465 0.73,466 -0.091,467 2.381,468 0.488,469 -0.514,470 -0.579,472 -1.173,473 -0.513,474 12.633,475 0.486,476 0.482,477 0.019,478 30,479 1.154,480 14,481 0.538,482 16,483 0.615,484 23.515,485 0.904,486 28.167,487 0.522,488 18.669,489 0.718,490 5.489,491 0.211,492 7.287,493 0.28,494 0.026,496 0.269,501 0.739,502 1.243,503 0.925,504 1.086,505 0.534,506 1.027,507 0.981,508 1.139,509 1.061,510 1.07,511 0.591,512 1.061,513 1.017,514 1.104,515 1.088,516 1.108,517 0.892,518 1.102,519 1.079,520 1.053,521 1.038,522 1.058,523 1.165,524 1.05,525 0.91,526 0.853,527 0.857,528 0.869,529 1.026,530 0.861,531 1.552,532 0.969,533 1.079,534 1.008,535 1.894,536 1.013,537 1.514,538 1.004,539 1.2,540 1.062,541 2.003,542 1.114,543 0.444,544 1.035,545 0.896,546 1.029,547 0.401,548 1.003,549 4.5,550 0.098,551 2.444,552 0.944,553 1.062,554 0.566,555 0.372,556 0.235,557 0.161,558 0.108,559 9962,560 19377,561 2.172,562 51.9,563 3,564 16,567 1,568 2,569 6,572 1.682,573 2.108,574 3.613,575 -0.446,577 1,582 70.116,583 1.298,584 3.121,585 4.301,586 4.949,587 5.051,588 5.051,589 3.094,590 4.133,591 4.673,592 3.798,593 1234.5,594 8.048,595 16408.9,597 1,599 1,600 310.764,601 1.058,602 4.663,603 0.155,604 0.006,605 0.063,606 0.026,607 0.037,608 0.02,609 0.014,610 0.011,611 0.008,612 0.006,613 0.345,614 0.5,615 1,616 0.362,617 130.947,618 0.013,619 -0.057,620 0.062,621 0.014,622 0.023,623 0.036,624 -0.079,625 -0.01,626 -0.068,627 -0.042,628 0.007,629 -0.049,630 -0.062,631 -0.091,632 -0.107,633 -0.112,634 0.012,635 -0.111,636 -0.037,637 -0.106,638 -0.058,639 -0.086,640 -0.039,641 -0.076,642 0.124,643 0.078,644 0.125,645 0.088,646 0.054,647 0.104,648 -0.113,649 -0.002,650 -0.069,651 -0.029,652 -0.155,653 -0.042,654 -0.101,655 -0.053,656 -0.197,657 -0.079,658 -0.224,659 -0.141,660 0.08,661 -0.102,662 0.047,663 -0.046,664 0.022,665 -0.01,666 1.367,667 5.555,668 0.808,669 26.834,670 0.982,671 1.122,672 3.845,673 14.782,674 0.655,675 3.401,676 3.689,677 3.932,678 4.143,679 4.331,680 4.317,681 4.407,682 4.477,683 4.419,684 4.477,685 7.426,686 0.604,687 348.53,688 3.401,689 4.92,690 5.753,691 6.603,692 7.447,693 8.3,694 9.149,695 10.003,696 10.854,697 11.709,698 3.7,701 1,703 1,715 8,720 4,722 12,727 1,734 1,741 54,743 13,744 2,745 29,747 57,748 23,749 12,750 4,751 8,752 1,756 4,757 5,767 3,768 1,770 5,772 13,773 10,774 1,777 1,782 1,786 1,790 1,793 28,794 3,795 1,796 3,802 2,808 0.75,809 1,828 1,829 3,832 1,855 1,859 3,868 26,876 9,877 1,880 1,881 1,893 1.9,896 1,901 12.333,902 9.367,903 5.722,904 3.585,907 1.997,908 1.271,909 0.997,910 5.475,911 9.367,912 3.611,913 4.111,914 4.595,915 5.05,916 5.511,917 5.529,918 5.716,919 5.76,920 5.637,921 5.79,922 1,923 36,924 9.702,926 4.125,927 0.026,929 7.449,931 19.462,933 16.703,936 1.949,937 50.667,939 1,940 1,941 317.82,942 114.352,943 21.135,945 25.145,948 114.352,949 342.965,950 21.135,952 21.095,953 75.81,954 48.289,955 15.438,957 317.82,959 317.82,960 135.487,961 25.145,964 247.193,965 95.772,968 24.22,969 93.257,970 18.011,972 317.82,973 46.28,974 114.352,977 317.82,978 38.542,979 78.934,980 18.011,981 25.145,982 317.82,983 46.28,984 114.352,986 0.574,987 0.33,988 0.172,989 0.092,990 19,991 7,992 0.105,993 6,994 1,995 1.095,996 4.077,997 208.36,998 0.095,999 21,1000 114.211,1005 17.453,1006 8.157,1007 4.428,1009 46.28,1010 16.884,1015 4.767,1017 18.011,1018 478.452,1019 36,1024 12.555,1028 0.299,1031 53.018,1032 60.604,1034 0.226,1035 0.542,1036 0.747,1037 0.86,1038 0.878,1039 0.878,1040 4.836,1041 1.41,1042 5.7,1043 3.778,1044 4.369,1045 4.796,1046 1.806,1047 6.438,1048 4.345,1049 5.98,1050 1.056,1051 7.209,1052 3.039,1053 3.761,1054 4.369,1055 0.325,1056 7.154,1057 3.737,1058 7.244,1059 1,1060 8.812,1061 2.383,1062 5.894,1063 6.825,1064 1.993,1065 10.21,1066 5.849,1067 8.539,1068 1,1069 10.473,1070 2.275,1071 6.133,1072 7.241,1073 0.393,1074 11.761,1075 6.093,1076 9.868,1077 0.6,1078 12.17,1079 2.136,1080 7.676,1081 9.158,1082 2.342,1083 14.284,1084 7.616,1085 11.219,1086 0.365,1087 13.893,1088 1.392,1089 8.316,1090 9.981,1091 0.384,1092 16.187,1093 8.262,1094 12.588,1095 0.039,1096 15.633,1097 0.895,1098 9.597,1099 11.653,1100 2.756,1101 18.516,1102 9.528,1103 2.989,1104 -0.514,1105 17.387,1106 0.096,1107 10.441,1108 12.696,1109 0.351,1110 20.582,1111 10.376,1112 2.731,1113 9.438,1114 19.15,1115 -1.173,1116 11.6,1117 14.238,1118 3.203,1119 22.839,1120 11.524,1121 2.607,1122 8.171,1123 20.922,1124 3.981,1125 12.551,1126 15.41,1127 0.312,1128 24.984,1129 12.476,1130 2.447,1131 7.783,1132 22.699,1133 3.457,1134 13.655,1135 16.879,1136 3.667,1137 27.216,1138 13.573,1139 2.072,1140 6.937,1141 24.482,1142 3.247,1143 14.662,1144 18.129,1145 0.273,1146 29.402,1147 14.579,1148 1.535,1149 5.867,1150 26.27,1151 2.634,1152 15.743,1153 19.557,1154 4.143,1155 31.627,1156 15.655,1157 1.5,1158 4.286,1159 28.062,1160 2.25,1161 16.78,1162 20.855,1163 0.236,1164 33.835,1165 16.691,1166 9174,1167 12879,1168 20.167,1169 35.364,1170 42.924,1171 44.023,1172 43.076,1173 42.702,1174 42.7,1175 52.448,1176 5.533,1177 116.956,1178 42.174,1179 5.342,1180 5.606,1181 6.059,1182 5.02,1183 4.989,1184 6.981,1185 2.555,1186 15.798,1187 4.981,1188 6.368,1189 1.48,1190 1.518,1191 1.485,1192 1.472,1193 1.472,1194 1.809,1195 0.191,1196 4.033,1197 1.454,1198 4.03,1199 4.066,1200 3.967,1201 3.95,1202 7.427,1203 3.95,1204 3.944,1205 3.988,1206 3.861,1207 3.863,1208 4.765,1209 3.857,1210 3.825,1211 3.872,1212 3.711,1213 3.724,1214 4.737,1215 3.714,1216 3.586,1217 3.635,1218 3.485,1219 3.428,1220 4.318,1221 3.433,1222 3.352,1223 3.426,1224 3.202,1225 3.194,1226 4.092,1227 3.186,1228 3.161,1229 3.229,1230 3.011,1231 3.004,1232 3.893,1233 2.994,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.688,1239 2.91,1240 2.94,1241 3.009,1242 2.788,1243 2.791,1244 3.674,1245 2.782,1246 0.15,1247 0.124,1248 0.216,1249 0.137,1250 0.103,1251 4.342,1252 0.137,1253 3.606,1254 0.044,1255 6.257,1256 0.325,1257 3.985,1258 0.103,1259 2.989,1260 3.981,1261 1.277,1262 9.438,1263 2.981,1264 1.943,1265 1.911,1266 2.105,1267 2.072,1268 1.485,1269 2.086,1270 1.914,1271 1.888,1272 2.027,1273 1.997,1274 1.206,1275 2.006,1276 1.827,1277 1.78,1278 1.986,1279 1.938,1280 1.158,1281 1.958,1282 1.516,1283 1.46,1284 1.761,1285 1.709,1286 1.035,1287 1.731,1288 1.437,1289 1.36,1290 1.696,1291 1.667,1292 0.934,1293 1.68,1294 1.196,1295 1.136,1296 1.513,1297 1.406,1298 0.825,1299 1.429,1300 1.153,1301 1.064,1302 1.456,1303 1.376,1304 0.684,1305 1.422,1306 0.98,1307 0.919,1308 1.227,1309 1.191,1310 0.432,1311 1.21,1312 4.078,1314 5.371,1315 2.398,1316 6.853,1317 4.595,1318 8.416,1319 6.581,1320 10.019,1328 9.559,1329 3.368,1332 0.693,1333 2.541,1340 32.606,1341 70.116,1342 168.544,1343 232.235,1344 267.254,1345 272.764,1346 272.764,1347 38.981,1348 7.37,1349 32.34,1350 32.34,1351 23,1352 12.264,1353 3.807,1354 3,1355 38.451,1356 118,1357 104,1358 0.156,1359 198.914,1360 347.53,1361 477.11,1362 17778,1364 17.769,1365 0.683,1366 0.593,1367 17.769,1368 15.416,1369 12.776,1370 0.441,1371 0.343,1372 9.875,1373 12.535,1374 9.657,1375 7.967,1376 12.776,1377 9.94,1378 11.205,1379 0.287,1380 0.198,1381 11.205,1382 7.716,1383 9.523,1384 0.19,1385 0.118,1386 9.523,1387 5.877,1388 7.64,1389 0.123,1390 0.068,1391 7.64,1392 4.219,1393 6.092,1394 0.081,1395 0.04,1396 6.092,1397 3.01,1398 0.256,1399 78.3,1400 0.223,1401 25.922,1402 0.401,1403 136,1404 291.714,1405 141.906,1406 290.071,1407 401.64,1408 274,1409 157,1410 292.439,1411 163.49,1412 300.947,1413 436.89,1414 285,1415 6.947}
{0 CHEMBL74533,1 1.325,2 14.7,3 5.261,4 27.678,5 125.143,6 6.353,7 0.364,8 4.219,9 4.35,10 3.656,11 3.768,12 5.139,13 3.709,14 4.82,15 5.019,16 3.974,17 4.189,18 5.652,19 4.095,20 5.146,21 5.384,22 4.079,23 4.398,24 5.95,25 4.263,26 5.243,27 5.514,28 3.891,29 4.373,30 5.996,31 4.188,32 5.156,33 5.454,34 3.802,35 4.252,36 5.881,37 4.063,38 4.982,39 5.247,40 3.719,41 4.12,42 5.792,43 3.956,44 4.885,45 5.132,46 3.667,47 4.042,48 5.75,49 3.887,50 4.884,51 5.157,52 3.558,53 3.988,54 5.616,55 3.817,56 0.066,57 0.885,58 15.381,59 6.525,60 8.634,61 9.125,62 0.212,63 1.493,64 28.494,65 10.945,66 19.116,67 15.705,68 0.283,69 1.951,70 39.283,71 15.153,72 35.53,73 21.865,74 0.343,75 2.033,76 43.221,77 16.395,78 43.431,79 23.85,80 0.332,81 1.813,82 39.397,83 15.177,84 38.909,85 22.158,86 0.343,87 1.532,88 33.532,89 12.698,90 35.802,91 18.129,92 0.324,93 1.401,94 30.569,95 11.514,96 39.374,97 16.306,98 0.288,99 1.381,100 30.418,101 11.163,102 30.785,103 16.114,104 6,105 44,106 0.213,107 0.509,108 0.73,109 0.842,110 0.849,111 0.849,112 3.439,113 1.042,114 -5.16,115 -5.05,116 -4.73,121 40.6,123 7,124 1,126 1,127 4,144 7,145 3,146 2,159 1,176 15,180 7,185 3,187 16,192 8,197 4,200 13,206 6,211 1,214 11,219 4,222 1,224 1,227 14,231 1,232 1,237 1,239 14,243 1,244 3,249 1,251 11,256 4,261 2,264 9,269 3,277 7,281 1536,282 20.748,283 20.748,284 20.748,285 20.748,286 20.748,287 19.208,288 27.893,289 12.435,290 21.067,291 16.242,292 16.242,293 16.242,294 16.242,295 16.242,296 13.772,297 32.214,298 5.881,299 16.64,300 4.675,301 2.842,302 1.467,303 0.774,304 0.731,305 0.731,306 4.143,311 1,312 1,313 962,314 3.24,318 297.536,319 108.986,323 164.797,325 2.407,326 19.33,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 63,338 441,339 4.331,340 3.606,341 6.248,342 3.97,343 2.972,344 3.973,345 1.277,346 9.413,347 2.971,348 4.052,349 3.039,350 5.898,351 3.72,352 2.753,353 3.64,354 0.916,355 8.153,356 2.671,357 3.896,358 3.033,359 5.638,360 3.618,361 2.616,362 3.236,363 0.86,364 7.842,365 2.617,366 3.669,367 2.815,368 5.401,369 3.512,370 2.531,371 2.829,372 0.4,373 7.113,374 2.486,375 3.453,376 2.485,377 5.217,378 3.227,379 2.271,380 2.571,381 0.172,382 6.601,383 2.153,384 3.084,385 2.175,386 4.882,387 2.892,388 1.941,389 2.129,391 5.635,392 1.837,393 2.948,394 1.996,395 4.469,396 2.649,397 1.685,398 2.083,400 4.508,401 1.644,402 2.867,403 1.928,404 4.168,405 2.646,406 1.644,407 1.9,409 3.799,410 1.622,411 2.609,412 1.584,413 3.716,414 2.399,415 1.386,416 1.61,418 3.251,419 1.4,420 2.5,421 1.174,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.072,430 1.078,431 3.414,432 1.984,433 1,434 1.014,436 2.275,437 0.983,438 2,439 1.077,440 3.273,441 1.853,442 0.87,443 1,445 1.964,446 0.854,447 1.801,448 1,449 3.144,450 1.615,451 0.643,452 0.711,454 1.388,455 0.612,456 1.685,457 0.95,458 2.934,459 1.447,460 0.515,461 0.574,463 0.939,464 0.479,465 1.179,466 0.446,467 2.599,468 1.003,469 0.049,470 0.053,472 0.104,473 0.046,474 14.467,475 0.482,476 0.55,477 0.018,478 33,479 1.1,480 14.5,481 0.483,482 18.5,483 0.617,484 30.063,485 1.002,486 33.533,487 0.524,488 22.176,489 0.739,490 5.973,491 0.199,492 8.735,493 0.291,494 0.058,496 0.27,501 0.784,502 1.318,503 0.944,504 1.175,505 0.566,506 1.087,507 1.111,508 1.116,509 1.058,510 1.048,511 0.649,512 1.04,513 0.947,514 1.118,515 1.035,516 1.08,517 0.86,518 1.065,519 0.952,520 1.084,521 1.095,522 1.096,523 1.104,524 1.106,525 0.629,526 0.9,527 0.853,528 0.922,529 0.92,530 0.91,531 1.137,532 0.963,533 1.035,534 1,535 1.681,536 1.011,537 1.313,538 1.08,539 1.125,540 1.098,541 2.173,542 1.102,543 1.279,544 0.989,545 1.059,546 0.978,547 1.251,548 0.997,549 5.5,550 0.127,551 2.889,552 1.063,553 1.428,554 0.809,555 0.45,556 0.339,557 0.187,558 0.159,559 14496,560 28975,561 2.128,562 53.1,563 7,564 18,567 1,568 2,569 6,572 1.719,573 2.045,574 3.819,575 -0.448,582 84.815,583 1.325,584 3.158,585 4.533,586 5.226,587 5.269,588 5.269,589 3.289,590 4.39,591 4.878,592 4.005,593 1742.31,594 8.458,595 26161.9,600 384,601 1.159,602 4.862,603 0.167,604 0.006,605 0.066,606 0.023,607 0.04,608 0.024,609 0.015,610 0.012,611 0.007,612 0.007,613 0.364,614 0.33,615 1,616 0.588,617 159.269,618 0.017,619 -0.088,620 0.064,621 -0.019,622 0.036,623 0.02,624 -0.097,625 0.021,626 -0.044,627 0.004,628 0.017,629 -0.01,630 -0.047,631 -0.068,632 -0.048,633 -0.061,634 0.032,635 -0.055,636 -0.07,637 -0.099,638 -0.122,639 -0.114,640 -0.062,641 -0.121,642 0.097,643 0.041,644 0.1,645 0.047,646 0.038,647 0.07,648 -0.01,649 0.004,650 -0.041,651 -0.016,652 -0.126,653 -0.03,654 -0.033,655 -0.098,656 -0.115,657 -0.102,658 -0.185,659 -0.117,660 -0.108,661 -0.028,662 -0.061,663 -0.012,664 -0.12,665 -0.031,666 1.371,667 5.768,668 0.767,669 35.76,670 0.984,671 1.126,672 3.928,673 15.43,674 0.642,675 3.526,676 3.807,677 4.043,678 4.234,679 4.489,680 4.533,681 4.564,682 4.635,683 4.7,684 4.796,685 8.456,686 0.592,687 406.62,688 3.526,689 5.043,690 5.872,691 6.718,692 7.56,693 8.408,694 9.254,695 10.104,696 10.953,697 11.804,698 3.1,701 1,703 1,715 7,720 5,722 12,727 1,734 1,739 1,741 64,743 13,744 2,745 33,747 67,748 26,749 12,750 5,751 7,752 1,756 4,757 5,767 5,768 1,770 7,772 13,773 13,774 1,777 1,782 1,786 1,793 34,794 4,795 1,796 4,802 2,808 0.75,809 2,829 3,830 1,834 1,855 1,859 3,864 1,868 30,876 11,877 1,878 1,880 1,881 1,893 3.1,896 1,898 1,901 14.667,902 11.45,903 6.722,904 4.238,907 2.065,908 1.266,909 0.974,910 7.326,911 9.831,912 3.714,913 4.205,914 4.687,915 5.131,916 5.637,917 5.723,918 5.861,919 5.891,920 6.005,921 6.172,922 0.9,923 47,924 11.189,926 4.686,927 0.026,929 7.461,931 22.404,933 18.924,936 1.961,937 58.833,941 388.446,942 126.072,943 21.135,945 36.145,948 126.072,949 424.591,950 21.135,951 10.883,952 26.165,953 66.334,954 48.289,955 31.681,957 388.446,959 388.446,960 147.207,961 36.145,964 317.82,965 106.771,968 29.289,969 99.907,970 18.011,972 388.446,973 57.28,974 126.072,977 388.446,978 48.855,979 80.341,980 18.011,981 36.145,982 388.446,983 57.28,984 126.072,986 0.57,987 0.331,988 0.169,989 0.097,990 20,991 8,992 0.104,993 7,994 1,995 1.087,996 4.377,997 251.572,998 0.087,999 23,1000 134.452,1005 21.24,1006 10.347,1007 5.796,1009 57.28,1010 14.639,1015 5.646,1017 18.011,1018 571.798,1019 40,1024 12.768,1028 0.296,1031 62.996,1032 72.059,1034 0.221,1035 0.526,1036 0.755,1037 0.871,1038 0.878,1039 0.878,1040 4.942,1041 1.644,1042 5.82,1043 4.508,1044 4.489,1045 4.89,1046 2.024,1047 6.553,1048 4.449,1049 6.083,1050 1.386,1051 7.328,1052 3.799,1053 3.892,1054 4.527,1055 0.325,1056 7.273,1057 3.845,1058 7.35,1059 1,1060 8.93,1061 3.251,1062 6.014,1063 6.926,1064 2.132,1065 10.307,1066 5.945,1067 8.646,1068 1,1069 10.587,1070 2.275,1071 6.236,1072 7.392,1073 0.393,1074 11.836,1075 6.167,1076 9.975,1077 0.87,1078 12.279,1079 2.275,1080 7.775,1081 9.263,1082 2.417,1083 14.35,1084 7.688,1085 11.326,1086 0.643,1087 13.994,1088 1.964,1089 8.395,1090 10.12,1091 0.384,1092 16.23,1093 8.311,1094 12.693,1095 0.515,1096 15.727,1097 1.388,1098 9.673,1099 11.759,1100 2.793,1101 18.553,1102 9.577,1103 2.972,1104 0.049,1105 17.472,1106 0.939,1107 10.5,1108 12.824,1109 0.351,1110 20.602,1111 10.407,1112 2.753,1113 9.413,1114 19.226,1115 0.104,1116 11.654,1117 14.343,1118 3.22,1119 22.853,1120 11.554,1121 2.616,1122 8.153,1123 20.989,1124 3.973,1125 12.59,1126 15.527,1127 0.312,1128 24.986,1129 12.493,1130 2.531,1131 7.842,1132 22.759,1133 3.64,1134 13.688,1135 16.98,1136 3.676,1137 27.212,1138 13.586,1139 2.271,1140 7.113,1141 24.534,1142 3.236,1143 14.682,1144 18.235,1145 0.273,1146 29.389,1147 14.583,1148 1.941,1149 6.601,1150 26.314,1151 2.829,1152 15.756,1153 19.651,1154 4.146,1155 31.609,1156 15.655,1157 1.685,1158 5.635,1159 28.099,1160 2.571,1161 16.782,1162 20.949,1163 0.236,1164 33.81,1165 16.683,1166 13576,1167 19289,1168 22.652,1169 41.103,1170 47.994,1171 49.353,1172 48.966,1173 47.706,1174 47.749,1175 57.645,1176 7.253,1177 130.518,1178 46.745,1179 5.331,1180 5.606,1181 6.004,1182 5.005,1183 4.972,1184 6.973,1185 2.555,1186 15.785,1187 4.971,1188 10.608,1189 1.454,1190 1.496,1191 1.484,1192 1.446,1193 1.447,1194 1.747,1195 0.22,1196 3.955,1197 1.417,1198 4.025,1199 4.062,1200 3.957,1201 3.944,1202 7.427,1203 3.942,1204 3.945,1205 3.983,1206 3.875,1207 3.862,1208 4.868,1209 3.86,1210 3.832,1211 3.875,1212 3.719,1213 3.724,1214 4.721,1215 3.715,1216 3.644,1217 3.695,1218 3.524,1219 3.509,1220 4.415,1221 3.502,1222 3.459,1223 3.522,1224 3.315,1225 3.302,1226 4.272,1227 3.297,1228 3.297,1229 3.351,1230 3.157,1231 3.093,1232 4.152,1233 3.099,1234 3.213,1235 3.303,1236 3.034,1237 3.008,1238 3.872,1239 3.002,1240 3.121,1241 3.206,1242 2.951,1243 2.941,1244 3.833,1245 2.91,1246 0.131,1247 0.109,1248 0.189,1249 0.12,1250 0.09,1251 4.331,1252 0.12,1253 3.606,1254 0.039,1255 6.248,1256 0.285,1257 3.97,1258 0.09,1259 2.972,1260 3.973,1261 1.277,1262 9.413,1263 2.971,1264 1.955,1265 1.929,1266 2.105,1267 2.075,1268 1.485,1269 2.087,1270 1.923,1271 1.893,1272 2.04,1273 2.023,1274 1.313,1275 2.029,1276 1.831,1277 1.785,1278 1.992,1279 1.952,1280 1.187,1281 1.966,1282 1.671,1283 1.605,1284 1.921,1285 1.854,1286 1.147,1287 1.883,1288 1.503,1289 1.448,1290 1.734,1291 1.708,1292 1.005,1293 1.717,1294 1.277,1295 1.221,1296 1.583,1297 1.539,1298 0.825,1299 1.552,1300 1.191,1301 1.115,1302 1.513,1303 1.435,1304 0.736,1305 1.46,1306 1.153,1307 1.064,1308 1.496,1309 1.376,1310 0.661,1311 1.429,1312 4.205,1314 5.493,1316 6.969,1317 2.708,1318 8.526,1319 5.094,1320 10.125,1322 1.703,1328 11.857,1329 3.492,1330 5.24,1332 0.667,1333 2.526,1340 37.901,1341 84.815,1342 202.121,1343 290.11,1344 334.49,1345 337.245,1346 337.245,1347 50.314,1348 7.766,1349 41.57,1350 41.57,1351 25,1352 12.361,1353 3.807,1354 3,1355 47.56,1356 155,1357 158,1358 0.147,1359 231.687,1360 408.22,1361 557.076,1362 30188,1364 20.761,1365 0.692,1366 0.605,1367 20.761,1368 18.161,1369 14.708,1370 0.446,1371 0.347,1372 11.356,1373 14.31,1374 11.073,1375 9.174,1376 14.708,1377 11.464,1378 12.703,1379 0.289,1380 0.2,1381 12.703,1382 8.785,1383 10.842,1384 0.194,1385 0.119,1386 10.842,1387 6.672,1388 8.44,1389 0.124,1390 0.069,1391 8.44,1392 4.698,1393 7.139,1394 0.081,1395 0.041,1396 7.139,1397 3.568,1398 0.242,1399 91.006,1400 0.21,1401 29.308,1402 0.373,1403 154,1404 355.449,1405 162.785,1406 344.695,1407 473.51,1408 326,1409 177,1410 340.985,1411 186.147,1412 349.806,1413 505.87,1414 329,1415 4.258}
{0 CHEMBL74560,1 1.26,2 14.483,3 5.591,4 31.259,5 122.985,6 6.2,7 0.375,8 4.194,9 4.331,10 3.616,11 3.765,12 5.079,13 3.694,14 4.803,15 5.011,16 3.944,17 4.19,18 5.595,19 4.085,20 5.114,21 5.366,22 3.974,23 4.354,24 5.873,25 4.201,26 5.185,27 5.461,28 3.86,29 4.338,30 5.906,31 4.154,32 5.138,33 5.426,34 3.796,35 4.271,36 5.848,37 4.081,38 5.044,39 5.316,40 3.723,41 4.182,42 5.846,43 4,44 4.936,45 5.211,46 3.56,47 4.073,48 5.702,49 3.878,50 4.81,51 5.096,52 3.461,53 3.951,54 5.494,55 3.758,56 0.068,57 0.874,58 15.24,59 6.448,60 8.164,61 9.214,62 0.187,63 1.507,64 28.079,65 10.754,66 16.184,67 15.835,68 0.26,69 1.899,70 37.871,71 14.739,72 32.141,73 21.482,74 0.293,75 1.944,76 40.39,77 15.766,78 35.849,79 22.865,80 0.249,81 1.816,82 38.204,83 15.355,84 30.508,85 22.128,86 0.323,87 1.641,88 35.214,89 13.85,90 39.168,91 19.743,92 0.289,93 1.473,94 31.462,95 12.512,96 36.057,97 17.878,98 0.177,99 1.313,100 27.438,101 11.066,102 22.18,103 15.971,104 7,105 43,106 0.204,107 0.478,108 0.716,109 0.839,110 0.846,111 0.846,112 3.407,113 1.069,114 -5.7,115 -5.56,116 -5.19,121 41.3,122 1,123 6,124 1,127 5,144 8,145 3,146 1,159 1,176 16,180 9,187 16,192 9,200 12,206 7,214 11,219 5,227 17,231 1,232 1,239 17,243 1,244 2,251 13,256 4,264 8,269 6,277 6,281 1410,282 20.093,283 20.093,284 20.093,285 20.093,286 20.093,287 18.551,288 23.521,289 12.154,290 20.277,291 15.791,292 15.791,293 15.791,294 15.791,295 15.791,296 13.414,297 27.979,298 5.734,299 16.083,300 4.717,301 3.019,302 1.548,303 0.786,304 0.742,305 0.742,306 4.109,311 1,312 1,313 918,314 3.391,317 77.508,318 297.277,321 134.821,325 2.293,326 16.263,329 0.75,330 1,331 1,332 1,333 1,334 1,335 1,336 0.96,337 60,338 420,339 4.406,340 3.609,341 6.55,342 4.08,343 3.106,344 4.02,345 1.277,346 10.363,347 3.039,348 3.981,349 3.293,350 6.004,351 3.734,352 2.746,353 3.457,354 0.916,355 8.509,356 2.726,357 3.94,358 3.017,359 5.616,360 3.665,361 2.682,362 3.308,363 0.8,364 7.786,365 2.618,366 3.598,367 2.557,368 5.331,369 3.455,370 2.457,371 2.636,372 0.172,373 6.945,374 2.452,375 3.206,376 2.346,377 5.106,378 3.038,379 2.083,380 2.283,382 5.931,383 1.98,384 3.118,385 2.222,386 4.953,387 2.917,388 1.947,389 2.199,391 5.823,392 1.879,393 2.899,394 1.865,395 4.212,396 2.53,397 1.525,398 2.019,400 3.867,401 1.531,402 2.817,403 1.524,404 4.157,405 2.418,406 1.423,407 1.909,409 3.563,410 1.415,411 2.634,412 1.52,413 3.592,414 2.323,415 1.322,416 1.636,418 3.037,419 1.319,420 2.5,421 1.114,422 3.414,423 2.011,424 1.029,425 1.5,427 2.275,428 1.009,429 2.082,430 1.085,431 3.295,432 2,433 1,434 1.069,436 2.136,437 1,438 2,439 1.077,440 3.247,441 1.984,442 1,443 1,445 1.971,446 0.983,447 1.787,448 1,449 3.137,450 1.631,451 0.629,452 0.706,454 1.406,455 0.628,456 1.721,457 0.682,458 3.002,459 1.513,460 0.503,461 0.578,463 1.109,464 0.506,465 1.216,466 0.372,467 2.763,468 1.031,469 0.045,470 0.05,472 0.111,473 0.044,474 14.133,475 0.487,476 0.533,477 0.018,478 31.75,479 1.095,480 14,481 0.483,482 17.75,483 0.612,484 29.354,485 1.012,486 32.067,487 0.509,488 20.329,489 0.701,490 5.607,491 0.193,492 8.617,493 0.297,494 0.059,496 0.269,501 0.72,502 1.352,503 0.97,504 1.171,505 0.541,506 1.099,507 1.088,508 1.138,509 1.068,510 1.048,511 0.59,512 1.043,513 1.09,514 1.085,515 1.067,516 1.063,517 0.885,518 1.059,519 1.155,520 1.013,521 1.06,522 1.029,523 1.151,524 1.036,525 0.895,526 0.96,527 0.932,528 0.985,529 1.032,530 0.966,531 1.331,532 0.973,533 1.047,534 1.015,535 1.804,536 1.02,537 1.234,538 0.986,539 1.077,540 1.03,541 1.671,542 1.05,543 0.872,544 1.002,545 0.96,546 1.012,547 1.002,548 0.998,549 5,550 0.131,551 2.889,552 1.417,553 1.227,554 0.761,555 0.514,556 0.326,557 0.193,558 0.148,559 13107,560 23778,561 2.132,562 54,563 6,564 18,568 2,569 8,572 1.711,573 2.047,574 3.796,575 -0.888,582 79.383,583 1.26,584 2.958,585 4.43,586 5.191,587 5.235,588 5.235,589 3.28,590 4.375,591 4.827,592 3.962,593 1608.63,594 8.362,595 23354.8,600 376.569,601 1.178,602 4.812,603 0.156,604 0.006,605 0.067,606 0.034,607 0.034,608 0.022,609 0.017,610 0.013,611 0.008,612 0.006,613 0.363,614 0.5,615 0.88,616 0.769,617 151.951,618 0.058,619 -0.134,620 0.07,621 -0.026,622 0.029,623 0.013,624 -0.073,625 0.012,626 -0.035,627 -0.012,628 0.014,629 -0.017,630 -0.059,631 -0.046,632 -0.065,633 -0.062,634 0.025,635 -0.062,636 -0.073,637 -0.031,638 -0.07,639 -0.05,640 -0.041,641 -0.058,642 0.028,643 -0.013,644 0.038,645 -0.004,646 -0.007,647 0.016,648 0.019,649 -0.02,650 -0.046,651 -0.033,652 -0.103,653 -0.044,654 -0.001,655 -0.036,656 -0.086,657 -0.046,658 -0.131,659 -0.071,660 0.011,661 -0.052,662 0.008,663 -0.028,664 -0.038,665 -0.013,666 1.339,667 5.776,668 0.724,669 34.59,670 0.979,671 1.125,672 4.468,673 19.962,674 0.645,675 3.497,676 3.784,677 4.043,678 4.277,679 4.477,680 4.5,681 4.625,682 4.7,683 4.663,684 4.691,685 8.174,686 0.59,687 390.62,688 3.497,689 5.017,690 5.855,691 6.713,692 7.567,693 8.431,694 9.291,695 10.158,696 11.023,697 11.893,698 3.2,701 1,704 1,715 8,720 4,722 12,727 1,736 1,741 63,743 13,744 2,745 32,747 66,748 26,749 12,750 4,751 8,752 1,756 4,757 5,763 1,767 3,768 1,770 6,772 13,773 13,774 1,777 1,782 1,786 1,793 34,794 3,796 3,802 2,808 0.75,809 1,828 1,829 3,832 1,855 1,859 3,864 1,868 29,876 11,880 1,881 2,893 1.6,896 1,901 14.167,902 11.317,903 6.5,904 4.397,907 2.019,908 1.263,909 0.978,910 6.791,911 9.692,912 3.689,913 4.174,914 4.663,915 5.13,916 5.597,917 5.675,918 5.942,919 6.027,920 5.974,921 6.054,922 0.9,923 42,924 10.836,926 4.55,927 0.026,929 7.402,931 21.877,933 18.643,936 1.902,937 55.167,941 400.217,942 127.818,943 6.249,945 25.145,948 127.818,949 425.362,950 6.249,951 8.825,952 25.736,953 75.81,954 30.278,955 18.562,957 400.217,959 400.217,960 134.066,961 25.145,964 306.049,965 119.314,968 37.685,969 96.381,972 400.217,973 31.394,974 127.818,977 400.217,978 43.183,979 90.884,981 25.145,982 400.217,983 31.394,984 127.818,986 0.568,987 0.33,988 0.179,989 0.099,990 20,991 8,992 0.121,993 8,994 1,995 1.095,996 4.3,997 241.581,998 0.095,999 21,1000 130.881,1005 20.317,1006 9.693,1007 5.153,1009 31.394,1010 17.128,1015 5.02,1018 559.429,1019 39,1024 12.776,1028 0.327,1031 61.669,1032 70.849,1034 0.211,1035 0.495,1036 0.741,1037 0.869,1038 0.876,1039 0.876,1040 4.92,1041 1.423,1042 5.808,1043 3.867,1044 4.466,1045 4.86,1046 1.906,1047 6.569,1048 4.432,1049 6.06,1050 1.322,1051 7.331,1052 3.563,1053 3.892,1054 4.443,1055 0.57,1056 7.357,1057 3.836,1058 7.326,1059 1.029,1060 8.953,1061 3.037,1062 6.009,1063 6.876,1064 2.047,1065 10.436,1066 5.938,1067 8.623,1068 1,1069 10.634,1070 2.275,1071 6.293,1072 7.312,1073 0.581,1074 12.087,1075 6.203,1076 9.957,1077 1,1078 12.355,1079 2.136,1080 7.826,1081 9.211,1082 2.367,1083 14.655,1084 7.72,1085 11.314,1086 0.629,1087 14.104,1088 1.971,1089 8.52,1090 10.059,1091 0.515,1092 16.676,1093 8.393,1094 12.691,1095 0.503,1096 15.873,1097 1.406,1098 9.802,1099 11.718,1100 2.767,1101 19.073,1102 9.659,1103 3.106,1104 0.045,1105 17.658,1106 1.109,1107 10.701,1108 12.787,1109 0.441,1110 21.261,1111 10.537,1112 2.746,1113 10.363,1114 19.455,1115 0.111,1116 11.873,1117 14.321,1118 3.207,1119 23.603,1120 11.692,1121 2.682,1122 8.509,1123 21.262,1124 4.02,1125 12.876,1126 15.516,1127 0.373,1128 25.867,1129 12.672,1130 2.457,1131 7.786,1132 23.079,1133 3.457,1134 14.004,1135 16.982,1136 3.669,1137 28.195,1138 13.781,1139 2.083,1140 6.945,1141 24.903,1142 3.308,1143 15.059,1144 18.252,1145 0.314,1146 30.494,1147 14.813,1148 1.947,1149 5.931,1150 26.733,1151 2.636,1152 16.173,1153 19.681,1154 4.143,1155 32.821,1156 15.905,1157 1.525,1158 5.823,1159 28.569,1160 2.283,1161 17.256,1162 20.996,1163 0.264,1164 35.137,1165 16.965,1166 12282,1167 16635,1168 21.959,1169 40.648,1170 47.254,1171 48.154,1172 48.132,1173 47.036,1174 46.994,1175 56.74,1176 6.333,1177 129.665,1178 46.256,1179 5.406,1180 5.609,1181 6.352,1182 5.115,1183 5.106,1184 7.02,1185 2.555,1186 17.139,1187 5.039,1188 10.271,1189 1.477,1190 1.505,1191 1.504,1192 1.47,1193 1.469,1194 1.773,1195 0.198,1196 4.052,1197 1.446,1198 4.046,1199 4.082,1200 3.985,1201 3.963,1202 7.427,1203 3.964,1204 3.946,1205 3.991,1206 3.862,1207 3.863,1208 4.761,1209 3.858,1210 3.827,1211 3.873,1212 3.714,1213 3.725,1214 4.716,1215 3.715,1216 3.646,1217 3.702,1218 3.534,1219 3.492,1220 4.318,1221 3.491,1222 3.507,1223 3.575,1224 3.337,1225 3.352,1226 4.167,1227 3.34,1228 3.337,1229 3.411,1230 3.173,1231 3.186,1232 3.942,1233 3.173,1234 3.167,1235 3.233,1236 3.016,1237 3.016,1238 3.88,1239 3.006,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.678,1245 2.91,1246 0.138,1247 0.113,1248 0.205,1249 0.128,1250 0.097,1251 4.406,1252 0.126,1253 3.609,1254 0.04,1255 6.55,1256 0.324,1257 4.08,1258 0.095,1259 3.106,1260 4.02,1261 1.277,1262 10.363,1263 3.039,1264 1.945,1265 1.914,1266 2.106,1267 2.072,1268 1.485,1269 2.087,1270 1.917,1271 1.889,1272 2.029,1273 2.003,1274 1.215,1275 2.01,1276 1.828,1277 1.78,1278 1.99,1279 1.942,1280 1.202,1281 1.962,1282 1.658,1283 1.584,1284 1.925,1285 1.858,1286 1.157,1287 1.883,1288 1.492,1289 1.436,1290 1.737,1291 1.681,1292 1.018,1293 1.702,1294 1.4,1295 1.323,1296 1.685,1297 1.608,1298 0.92,1299 1.642,1300 1.201,1301 1.141,1302 1.513,1303 1.406,1304 0.825,1305 1.429,1306 1.153,1307 1.064,1308 1.459,1309 1.376,1310 0.687,1311 1.424,1312 4.174,1314 5.468,1315 2.398,1316 6.956,1317 4.727,1318 8.528,1319 6.823,1320 10.144,1322 2.224,1328 11.993,1332 0.695,1333 5.003,1340 37.186,1341 79.383,1342 186.357,1343 279.059,1344 327.059,1345 329.814,1346 329.814,1347 46.863,1348 7.673,1349 23.55,1350 23.55,1351 23,1352 12.437,1353 3.807,1354 3,1355 45.194,1356 144,1357 135,1358 0.151,1359 227.691,1360 399.43,1361 547.326,1362 25891,1364 20.054,1365 0.692,1366 0.613,1367 20.054,1368 17.777,1369 14.225,1370 0.445,1371 0.356,1372 11.326,1373 13.954,1374 11.03,1375 9.15,1376 14.225,1377 11.4,1378 12.304,1379 0.286,1380 0.203,1381 12.304,1382 8.748,1383 10.448,1384 0.187,1385 0.118,1386 10.448,1387 6.623,1388 8.549,1389 0.12,1390 0.069,1391 8.549,1392 4.9,1393 6.922,1394 0.08,1395 0.041,1396 6.922,1397 3.556,1398 0.248,1399 87.113,1400 0.213,1401 28.45,1402 0.384,1403 150,1404 311.026,1405 156.6,1406 308.696,1407 429.7,1408 292,1409 174,1410 315.566,1411 181.655,1412 324.169,1413 473.02,1414 307,1415 7.658}
{0 CHEMBL74698,1 1.26,2 13.931,3 5.734,4 32.874,5 123.281,6 6.2,7 0.375,8 4.194,9 4.332,10 3.612,11 3.77,12 5.077,13 3.699,14 4.799,15 5.003,16 3.925,17 4.198,18 5.596,19 4.086,20 5.157,21 5.411,22 4.017,23 4.395,24 5.912,25 4.241,26 5.247,27 5.527,28 3.899,29 4.38,30 5.967,31 4.192,32 5.168,33 5.464,34 3.802,35 4.273,36 5.885,37 4.081,38 5,39 5.271,40 3.709,41 4.153,42 5.791,43 3.979,44 4.905,45 5.164,46 3.598,47 4.056,48 5.742,49 3.879,50 4.831,51 5.11,52 3.477,53 3.963,54 5.557,55 3.772,56 0.071,57 0.873,58 15.231,59 6.479,60 8.04,61 9.234,62 0.171,63 1.497,64 27.874,65 11.065,66 15.952,67 16.113,68 0.26,69 1.977,70 39.441,71 15.517,72 32.918,73 22.572,74 0.312,75 2.066,76 42.974,77 16.567,78 39.053,79 24.172,80 0.329,81 1.865,82 39.49,83 15.375,84 37.534,85 22.394,86 0.26,87 1.586,88 33.682,89 13.195,90 33.347,91 18.851,92 0.311,93 1.429,94 30.837,95 12.004,96 39.099,97 16.995,98 0.199,99 1.335,100 28.196,101 11.184,102 26.327,103 16.087,104 2,105 42,106 0.204,107 0.483,108 0.694,109 0.839,110 0.853,111 0.853,112 3.407,113 1.073,114 -5.7,115 -5.56,116 -5.19,121 41.3,123 8,124 1,127 4,144 8,145 3,146 1,159 1,176 18,180 5,185 3,187 19,192 6,197 4,200 15,206 5,211 2,214 12,219 5,222 1,224 1,227 16,232 1,237 1,239 16,243 1,244 3,249 1,251 13,256 3,261 2,264 11,269 2,277 9,281 1390,282 20.137,283 20.137,284 20.137,285 20.137,286 20.137,287 18.57,288 23.58,289 12.351,290 20.277,291 15.848,292 15.848,293 15.848,294 15.848,295 15.848,296 13.444,297 27.563,298 5.956,299 16.055,300 4.717,301 2.99,302 1.683,303 0.786,304 0.698,305 0.698,306 4.113,312 1,313 886,314 3,318 276.731,320 113.504,324 163.73,325 2.214,326 16.865,329 0.75,330 1,331 1,332 1,333 1,334 1,335 1,336 0.96,337 60,338 404,339 4.33,340 3.606,341 6.248,342 3.969,343 2.97,344 3.973,345 1.277,346 9.412,347 2.97,348 3.941,349 3.031,350 5.898,351 3.697,352 2.73,353 3.457,354 0.916,355 8.152,356 2.657,357 3.893,358 3.016,359 5.616,360 3.598,361 2.591,362 3.235,363 0.4,364 7.783,365 2.592,366 3.595,367 2.557,368 5.329,369 3.445,370 2.445,371 2.634,372 0.172,373 6.937,374 2.444,375 3.178,376 2.225,377 4.955,378 3.027,379 2.072,380 2.25,382 5.867,383 1.969,384 2.965,385 2.022,386 4.479,387 2.735,388 1.747,389 2.096,391 4.548,392 1.731,393 2.894,394 1.947,395 4.168,396 2.697,397 1.719,398 1.977,400 3.811,401 1.671,402 2.811,403 1.678,404 3.787,405 2.455,406 1.448,407 1.871,409 3.44,410 1.457,411 2.703,412 1.52,413 3.592,414 2.393,415 1.388,416 1.708,418 3.038,419 1.391,420 2.5,421 1.093,422 3.414,423 2.01,424 1.021,425 1.5,427 2.279,428 1.009,429 2.227,430 1.077,431 3.356,432 2,433 1,434 1.191,436 2.275,437 1,438 2,439 1.072,440 3.247,441 1.984,442 1,443 1,445 2.136,446 0.983,447 1.758,448 1,449 3.111,450 1.603,451 0.584,452 0.646,454 1.351,455 0.591,456 1.352,457 0.458,458 2.784,459 1.224,460 0.248,461 0.265,463 0.553,464 0.242,465 1.245,466 0.364,467 2.661,468 1.063,469 0.084,470 0.093,472 0.203,473 0.082,474 14.133,475 0.487,476 0.482,477 0.017,478 31.5,479 1.086,480 14,481 0.483,482 17.5,483 0.603,484 29.454,485 1.016,486 32.067,487 0.509,488 20.183,489 0.696,490 5.489,491 0.189,492 8.787,493 0.303,494 0.024,496 0.241,501 0.755,502 1.271,503 0.98,504 1.133,505 0.541,506 1.078,507 0.981,508 1.18,509 1.101,510 1.121,511 0.592,512 1.111,513 1.002,514 1.097,515 1.033,516 1.063,517 0.855,518 1.049,519 1.13,520 1.047,521 1.053,522 1.038,523 1.107,524 1.039,525 0.907,526 0.899,527 0.917,528 0.921,529 0.977,530 0.919,531 1.399,532 0.97,533 1.046,534 1.007,535 1.729,536 1.007,537 1.652,538 1.015,539 1.149,540 1.057,541 2.268,542 1.079,543 1.136,544 1.057,545 1.022,546 1.049,547 1.398,548 1.037,549 4.5,550 0.095,551 2.444,552 1,553 1.187,554 0.785,555 0.403,556 0.26,557 0.197,558 0.124,559 13104,560 23691,561 2.154,562 54,563 9,564 16,567 1,568 2,569 6,572 1.712,573 2.096,574 3.757,575 -0.473,582 79.383,583 1.26,584 2.987,585 4.294,586 5.191,587 5.279,588 5.279,589 3.237,590 4.444,591 4.829,592 3.925,593 1593.43,594 8.367,595 23043.4,600 376.569,601 1,602 4.824,603 0.141,604 0.004,605 0.058,606 0.023,607 0.032,608 0.023,609 0.013,610 0.01,611 0.008,612 0.006,613 0.317,614 0.5,615 0.88,616 0.335,617 151.585,618 0.022,619 -0.052,620 0.06,621 0.013,622 0.035,623 0.034,624 -0.067,625 -0.041,626 -0.078,627 -0.067,628 0.017,629 -0.07,630 -0.027,631 -0.068,632 -0.036,633 -0.058,634 0.03,635 -0.049,636 -0.056,637 -0.068,638 -0.064,639 -0.067,640 -0.039,641 -0.066,642 0.09,643 0.052,644 0.058,645 0.04,646 0.035,647 0.047,648 -0.075,649 -0.005,650 -0.044,651 -0.024,652 -0.125,653 -0.03,654 -0.051,655 -0.053,656 -0.129,657 -0.07,658 -0.188,659 -0.103,660 -0.03,661 -0.107,662 -0.039,663 -0.067,664 -0.094,665 -0.057,666 1.358,667 5.794,668 0.828,669 33.161,670 0.979,671 1.125,672 4.468,673 19.962,674 0.645,675 3.497,676 3.761,677 3.989,678 4.19,679 4.431,680 4.454,681 4.564,682 4.585,683 4.654,684 4.727,685 8.035,686 0.59,687 390.62,688 3.497,689 5.004,690 5.826,691 6.666,692 7.502,693 8.346,694 9.188,695 10.034,696 10.879,697 11.727,698 3.2,701 1,703 1,715 8,720 4,722 12,727 1,734 1,741 63,743 13,744 2,745 32,747 66,748 26,749 12,750 4,751 8,752 1,756 4,757 5,767 6,768 1,770 8,772 13,773 13,774 1,777 1,782 1,786 1,793 34,794 3,795 1,796 3,802 2,808 0.75,809 1,829 3,831 1,835 1,855 1,859 3,868 29,876 12,877 1,880 1,881 1,893 1.6,896 1,901 13.833,902 10.867,903 6.472,904 4.335,907 2.017,908 1.263,909 0.983,910 7.134,911 9.695,912 3.689,913 4.159,914 4.625,915 5.069,916 5.552,917 5.591,918 5.79,919 5.829,920 5.953,921 6.108,922 1,923 44,924 10.843,926 4.559,927 0.026,929 7.402,931 21.911,933 18.703,936 1.902,937 55.167,941 388.446,942 121.956,943 21.135,945 25.145,948 121.956,949 413.591,950 21.135,952 28.699,953 75.81,954 48.289,955 15.438,957 388.446,959 388.446,960 143.091,961 25.145,964 317.82,965 95.772,968 31.823,969 93.257,970 18.011,972 388.446,973 46.28,974 121.956,977 388.446,978 46.146,979 78.934,980 18.011,981 25.145,982 388.446,983 46.28,984 121.956,986 0.566,987 0.322,988 0.17,989 0.097,990 19,991 7,992 0.091,993 6,994 1,995 1.083,996 4.305,997 240.782,998 0.083,999 24,1000 132.881,1005 20.317,1006 10.183,1007 5.776,1009 46.28,1010 17.055,1015 4.837,1017 18.011,1018 556.682,1019 39,1024 12.794,1028 0.309,1031 61.669,1032 70.849,1034 0.211,1035 0.5,1036 0.718,1037 0.869,1038 0.883,1039 0.883,1040 4.905,1041 1.448,1042 5.759,1043 3.811,1044 4.443,1045 4.844,1046 1.806,1047 6.475,1048 4.42,1049 6.032,1050 1.388,1051 7.252,1052 3.44,1053 3.761,1054 4.369,1055 0.325,1056 7.154,1057 3.737,1058 7.284,1059 1.021,1060 8.843,1061 3.038,1062 5.943,1063 6.844,1064 1.993,1065 10.22,1066 5.899,1067 8.567,1068 1,1069 10.494,1070 2.279,1071 6.111,1072 7.231,1073 0.393,1074 11.75,1075 6.075,1076 9.885,1077 1,1078 12.184,1079 2.275,1080 7.692,1081 9.159,1082 2.342,1083 14.28,1084 7.636,1085 11.227,1086 0.584,1087 13.9,1088 2.136,1089 8.281,1090 9.965,1091 0.384,1092 16.17,1093 8.234,1094 12.588,1095 0.248,1096 15.636,1097 1.351,1098 9.586,1099 11.643,1100 2.756,1101 18.502,1102 9.523,1103 2.97,1104 0.084,1105 17.386,1106 0.553,1107 10.397,1108 12.677,1109 0.351,1110 20.56,1111 10.342,1112 2.73,1113 9.412,1114 19.146,1115 0.203,1116 11.568,1117 14.221,1118 3.203,1119 22.817,1120 11.502,1121 2.591,1122 8.152,1123 20.915,1124 3.973,1125 12.497,1126 15.387,1127 0.312,1128 24.956,1129 12.436,1130 2.445,1131 7.783,1132 22.69,1133 3.457,1134 13.605,1135 16.857,1136 3.667,1137 27.187,1138 13.537,1139 2.072,1140 6.937,1141 24.471,1142 3.235,1143 14.597,1144 18.102,1145 0.273,1146 29.368,1147 14.532,1148 1.747,1149 5.867,1150 26.257,1151 2.634,1152 15.678,1153 19.529,1154 4.143,1155 31.591,1156 15.609,1157 1.719,1158 4.548,1159 28.046,1160 2.25,1161 16.704,1162 20.824,1163 0.236,1164 33.795,1165 16.638,1166 12187,1167 16478,1168 22.246,1169 40.648,1170 46.222,1171 47.344,1172 46.537,1173 46.095,1174 46.093,1175 55.792,1176 5.533,1177 123.567,1178 45.579,1179 5.33,1180 5.606,1181 6.075,1182 5.004,1183 4.97,1184 6.973,1185 2.555,1186 15.786,1187 4.97,1188 6.821,1189 1.444,1190 1.48,1191 1.454,1192 1.44,1193 1.44,1194 1.743,1195 0.173,1196 3.861,1197 1.424,1198 4.022,1199 4.06,1200 3.952,1201 3.942,1202 7.427,1203 3.94,1204 3.938,1205 3.98,1206 3.857,1207 3.86,1208 4.761,1209 3.854,1210 3.825,1211 3.872,1212 3.71,1213 3.724,1214 4.713,1215 3.713,1216 3.674,1217 3.727,1218 3.542,1219 3.549,1220 4.317,1221 3.537,1222 3.482,1223 3.543,1224 3.346,1225 3.329,1226 4.171,1227 3.326,1228 3.343,1229 3.43,1230 3.165,1231 3.163,1232 3.935,1233 3.151,1234 3.215,1235 3.276,1236 3.087,1237 3.045,1238 3.896,1239 3.044,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.674,1245 2.91,1246 0.135,1247 0.113,1248 0.195,1249 0.124,1250 0.093,1251 4.33,1252 0.124,1253 3.606,1254 0.04,1255 6.248,1256 0.294,1257 3.969,1258 0.093,1259 2.97,1260 3.973,1261 1.277,1262 9.412,1263 2.97,1264 1.976,1265 1.948,1266 2.114,1267 2.085,1268 1.485,1269 2.097,1270 1.931,1271 1.895,1272 2.086,1273 2.055,1274 1.39,1275 2.068,1276 1.838,1277 1.789,1278 2.014,1279 1.953,1280 1.175,1281 1.976,1282 1.679,1283 1.625,1284 1.891,1285 1.832,1286 1.113,1287 1.854,1288 1.474,1289 1.415,1290 1.72,1291 1.66,1292 1,1293 1.684,1294 1.344,1295 1.264,1296 1.639,1297 1.573,1298 0.903,1299 1.601,1300 1.194,1301 1.132,1302 1.513,1303 1.404,1304 0.825,1305 1.429,1306 1.153,1307 1.064,1308 1.457,1309 1.376,1310 0.686,1311 1.423,1312 4.174,1314 5.451,1316 6.915,1318 8.465,1320 10.06,1328 13.4,1329 3.533,1332 0.688,1333 2.55,1340 37.186,1341 79.383,1342 188.208,1343 270.53,1344 327.059,1345 332.569,1346 332.569,1347 47.697,1348 7.678,1349 32.34,1350 32.34,1351 26,1352 12.287,1353 3.807,1354 3,1355 45.134,1356 142,1357 132,1358 0.152,1359 227.691,1360 399.43,1361 547.326,1362 27161,1364 19.891,1365 0.686,1366 0.605,1367 19.891,1368 17.537,1369 14.276,1370 0.446,1371 0.358,1372 11.375,1373 14.035,1374 11.127,1375 9.216,1376 14.276,1377 11.44,1378 12.266,1379 0.292,1380 0.209,1381 12.266,1382 8.776,1383 10.273,1384 0.194,1385 0.125,1386 10.273,1387 6.606,1388 8.164,1389 0.126,1390 0.073,1391 8.164,1392 4.727,1393 6.875,1394 0.083,1395 0.043,1396 6.875,1397 3.572,1398 0.249,1399 87.3,1400 0.212,1401 28.406,1402 0.39,1403 148,1404 303.714,1405 153.906,1406 302.556,1407 418.92,1408 286,1409 169,1410 304.439,1411 175.49,1412 313.43,1413 454.13,1414 297,1415 6.896}
{0 CHEMBL74747,1 1.26,2 13.414,3 5.631,4 31.707,5 122.915,6 6.2,7 0.375,8 4.194,9 4.331,10 3.616,11 3.765,12 5.081,13 3.694,14 4.803,15 5.012,16 3.941,17 4.193,18 5.593,19 4.088,20 5.143,21 5.386,22 4.053,23 4.414,24 5.91,25 4.267,26 5.261,27 5.539,28 3.902,29 4.402,30 5.982,31 4.21,32 5.187,33 5.481,34 3.809,35 4.298,36 5.896,37 4.101,38 5.041,39 5.323,40 3.716,41 4.16,42 5.824,43 3.981,44 4.906,45 5.157,46 3.604,47 4.051,48 5.789,49 3.881,50 4.85,51 5.135,52 3.441,53 3.974,54 5.533,55 3.77,56 0.068,57 0.874,58 15.24,59 6.448,60 8.414,61 9.214,62 0.19,63 1.506,64 28.07,65 10.784,66 16.059,67 15.855,68 0.253,69 1.977,70 38.998,71 15.443,72 31.67,73 22.4,74 0.31,75 2.096,76 43.543,77 16.991,78 39.187,79 24.7,80 0.32,81 1.899,82 40.182,83 15.928,84 35.507,85 23.088,86 0.265,87 1.629,88 34.984,89 13.646,90 35.402,91 19.549,92 0.345,93 1.419,94 31.125,95 11.851,96 44.938,97 16.663,98 0.196,99 1.359,100 28.593,101 11.444,102 26.296,103 16.517,104 5,105 43,106 0.204,107 0.477,108 0.707,109 0.832,110 0.846,111 0.846,112 3.407,113 1.062,114 -5.7,115 -5.56,116 -5.19,121 41.3,123 7,124 1,126 1,127 4,144 8,145 3,146 1,159 1,176 17,180 8,187 18,192 10,200 14,206 6,214 11,218 1,219 6,227 14,232 2,239 14,243 1,244 4,251 13,256 4,264 10,269 2,277 8,281 1362,282 19.93,283 19.93,284 19.93,285 19.93,286 19.93,287 18.388,288 23.771,289 12.012,290 20.113,291 15.815,292 15.815,293 15.815,294 15.815,295 15.815,296 13.432,297 26.903,298 5.756,299 16.09,300 4.717,301 3.025,302 1.603,303 0.83,304 0.742,305 0.742,306 4.11,312 1,313 852,314 3.082,318 280.642,319 100.788,323 152.362,325 2.193,326 15.994,329 0.75,330 1,331 1,332 1,333 1,334 1,335 1,336 0.96,337 60,338 389,339 4.382,340 3.609,341 6.493,342 4.041,343 3.06,344 4.008,345 1.277,346 10.123,347 3.013,348 3.947,349 3.208,350 5.965,351 3.712,352 2.736,353 3.457,354 0.916,355 8.342,356 2.694,357 3.934,358 3.017,359 5.616,360 3.644,361 2.647,362 3.27,363 0.8,364 7.785,365 2.611,366 3.596,367 2.557,368 5.329,369 3.451,370 2.452,371 2.634,372 0.172,373 6.939,374 2.448,375 3.23,376 2.381,377 5.064,378 3.035,379 2.082,380 2.352,382 5.868,383 1.976,384 3.174,385 2.225,386 4.955,387 3.002,388 2.043,389 2.248,391 5.798,392 1.95,393 2.891,394 1.98,395 4.246,396 2.648,397 1.646,398 1.977,400 3.981,401 1.648,402 2.809,403 1.584,404 4,405 2.436,406 1.436,407 1.869,409 3.421,410 1.435,411 2.649,412 1.52,413 3.592,414 2.379,415 1.371,416 1.663,418 3.038,419 1.378,420 2.5,421 1.091,422 3.483,423 2,424 1.012,425 1.5,427 2.443,428 1,429 2.318,430 1.077,431 3.414,432 1.998,433 1,434 1.28,436 2.275,437 0.997,438 2,439 1.068,440 3.247,441 1.984,442 1,443 1,445 2.136,446 0.983,447 1.759,448 1,449 3.118,450 1.604,451 0.585,452 0.647,454 1.358,455 0.593,456 1.363,457 0.458,458 2.794,459 1.233,460 0.249,461 0.267,463 0.559,464 0.245,465 1.216,466 0.364,467 2.687,468 1.032,469 0.047,470 0.053,472 0.117,473 0.046,474 14.133,475 0.487,476 0.571,477 0.02,478 31.75,479 1.095,480 14,481 0.483,482 17.75,483 0.612,484 29.644,485 1.022,486 32.067,487 0.509,488 20.89,489 0.72,490 5.654,491 0.195,492 8.533,493 0.294,494 0.059,496 0.269,501 0.72,502 1.352,503 0.97,504 1.171,505 0.536,506 1.099,507 1.107,508 1.095,509 1.074,510 1.027,511 0.585,512 1.032,513 1.021,514 1.126,515 1.061,516 1.093,517 0.861,518 1.079,519 1.105,520 1.051,521 1.074,522 1.06,523 1.095,524 1.064,525 0.837,526 0.938,527 0.93,528 0.965,529 0.985,530 0.956,531 1.305,532 0.94,533 0.981,534 0.972,535 1.609,536 0.96,537 2.072,538 1.009,539 1.219,540 1.05,541 2.884,542 1.089,543 1.015,544 1.048,545 1.025,546 1.044,547 1.209,548 1.043,549 5,550 0.106,551 2.889,552 1.375,553 1.362,554 0.864,555 0.409,556 0.276,557 0.224,558 0.153,559 12849,560 23328,561 2.132,562 54,563 7,564 19,568 2,569 6,572 1.712,573 2.047,574 3.69,575 -0.888,582 79.383,583 1.26,584 2.952,585 4.374,586 5.148,587 5.235,588 5.235,589 3.129,590 4.375,591 4.83,592 3.888,593 1578.4,594 8.369,595 22688.4,600 376.569,601 1.178,602 4.812,603 0.156,604 0.005,605 0.067,606 0.03,607 0.037,608 0.025,609 0.013,610 0.01,611 0.01,612 0.007,613 0.36,614 0.5,615 0.88,616 0.434,617 151.149,618 0.058,619 -0.134,620 0.07,621 -0.026,622 0.034,623 0.013,624 -0.093,625 0.057,626 -0.041,627 0.009,628 0.018,629 -0.005,630 -0.04,631 -0.079,632 -0.059,633 -0.076,634 0.025,635 -0.069,636 -0.065,637 -0.072,638 -0.088,639 -0.083,640 -0.042,641 -0.087,642 0.1,643 0.007,644 0.041,645 0.005,646 0.011,647 0.017,648 -0.022,649 0.007,650 0.014,651 -0.001,652 -0.053,653 0.009,654 -0.13,655 -0.047,656 -0.176,657 -0.068,658 -0.268,659 -0.121,660 -0.041,661 -0.102,662 -0.053,663 -0.063,664 -0.098,665 -0.062,666 1.35,667 5.842,668 0.793,669 31.822,670 0.979,671 1.125,672 4.468,673 19.962,674 0.645,675 3.497,676 3.784,677 4.025,678 4.234,679 4.477,680 4.511,681 4.554,682 4.615,683 4.682,684 4.762,685 7.902,686 0.59,687 390.62,688 3.497,689 5.017,690 5.849,691 6.701,692 7.547,693 8.402,694 9.254,695 10.111,696 10.966,697 11.825,698 3.2,701 1,704 1,715 8,720 4,722 12,727 1,736 1,741 63,743 13,744 2,745 32,747 66,748 26,749 12,750 4,751 8,752 1,756 4,757 5,767 5,768 1,770 7,772 13,773 13,774 1,777 1,782 1,786 1,793 34,794 3,796 3,802 2,808 0.75,809 1,829 3,830 1,834 1,855 1,859 3,864 1,868 29,876 11,880 1,881 2,893 1.6,896 1,901 14.167,902 11.317,903 6.417,904 4.247,907 2.017,908 1.263,909 0.978,910 6.791,911 9.695,912 3.689,913 4.174,914 4.654,915 5.106,916 5.592,917 5.658,918 5.837,919 5.898,920 5.997,921 6.159,922 0.889,923 46,924 10.837,926 4.552,927 0.026,929 7.402,931 21.877,933 18.655,936 1.902,937 55.167,941 400.217,942 127.818,943 6.249,945 25.145,948 127.818,949 425.362,950 6.249,951 8.396,952 26.165,953 75.81,954 30.278,955 18.562,957 400.217,959 400.217,960 134.066,961 25.145,964 329.591,965 95.772,968 29.289,969 104.778,972 400.217,973 31.394,974 127.818,977 400.217,978 43.611,979 90.455,981 25.145,982 400.217,983 31.394,984 127.818,986 0.574,987 0.331,988 0.173,989 0.098,990 20,991 8,992 0.091,993 6,994 1,995 1.087,996 4.247,997 243.968,998 0.087,999 23,1000 132.881,1005 20.317,1006 9.693,1007 5.349,1009 31.394,1010 17.128,1015 4.961,1018 559.429,1019 39,1024 12.842,1028 0.317,1031 61.669,1032 70.849,1034 0.211,1035 0.494,1036 0.732,1037 0.861,1038 0.876,1039 0.876,1040 4.92,1041 1.436,1042 5.802,1043 3.981,1044 4.466,1045 4.86,1046 1.906,1047 6.55,1048 4.435,1049 6.06,1050 1.371,1051 7.319,1052 3.421,1053 3.892,1054 4.443,1055 0.57,1056 7.31,1057 3.836,1058 7.323,1059 1.012,1060 8.935,1061 3.038,1062 5.999,1063 6.872,1064 2.047,1065 10.383,1066 5.935,1067 8.616,1068 1,1069 10.61,1070 2.443,1071 6.256,1072 7.295,1073 0.581,1074 11.991,1075 6.172,1076 9.943,1077 1,1078 12.324,1079 2.275,1080 7.789,1081 9.198,1082 2.367,1083 14.555,1084 7.696,1085 11.294,1086 0.585,1087 14.065,1088 2.136,1089 8.45,1090 10.033,1091 0.515,1092 16.533,1093 8.341,1094 12.664,1095 0.249,1096 15.826,1097 1.358,1098 9.732,1099 11.696,1100 2.767,1101 18.919,1102 9.611,1103 3.06,1104 0.047,1105 17.603,1106 0.559,1107 10.601,1108 12.754,1109 0.441,1110 21.069,1111 10.465,1112 2.736,1113 10.123,1114 19.391,1115 0.117,1116 11.768,1117 14.291,1118 3.207,1119 23.394,1120 11.619,1121 2.647,1122 8.342,1123 21.19,1124 4.008,1125 12.746,1126 15.478,1127 0.373,1128 25.625,1129 12.581,1130 2.452,1131 7.785,1132 22.998,1133 3.457,1134 13.865,1135 16.946,1136 3.669,1137 27.931,1138 13.686,1139 2.082,1140 6.939,1141 24.812,1142 3.27,1143 14.899,1144 18.209,1145 0.314,1146 30.201,1147 14.704,1148 2.043,1149 5.868,1150 26.633,1151 2.634,1152 15.999,1153 19.638,1154 4.143,1155 32.505,1156 15.789,1157 1.646,1158 5.798,1159 28.459,1160 2.352,1161 17.064,1162 20.948,1163 0.264,1164 34.795,1165 16.837,1166 11981,1167 16232,1168 21.959,1169 40.648,1170 46.977,1171 47.867,1172 47.382,1173 46.775,1174 46.734,1175 56.45,1176 6.333,1177 128.362,1178 46.032,1179 5.382,1180 5.609,1181 6.295,1182 5.076,1183 5.06,1184 7.008,1185 2.555,1186 16.751,1187 5.013,1188 9.859,1189 1.468,1190 1.496,1191 1.481,1192 1.462,1193 1.46,1194 1.764,1195 0.198,1196 4.011,1197 1.439,1198 4.03,1199 4.068,1200 3.964,1201 3.949,1202 7.427,1203 3.948,1204 3.941,1205 3.985,1206 3.859,1207 3.861,1208 4.76,1209 3.856,1210 3.826,1211 3.873,1212 3.712,1213 3.725,1214 4.702,1215 3.714,1216 3.652,1217 3.703,1218 3.535,1219 3.516,1220 4.317,1221 3.51,1222 3.454,1223 3.519,1224 3.31,1225 3.301,1226 4.171,1227 3.294,1228 3.34,1229 3.433,1230 3.162,1231 3.133,1232 3.922,1233 3.129,1234 3.208,1235 3.269,1236 3.076,1237 3.046,1238 3.886,1239 3.043,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.674,1245 2.91,1246 0.137,1247 0.113,1248 0.203,1249 0.126,1250 0.096,1251 4.382,1252 0.125,1253 3.609,1254 0.04,1255 6.493,1256 0.316,1257 4.041,1258 0.094,1259 3.06,1260 4.008,1261 1.277,1262 10.123,1263 3.013,1264 1.958,1265 1.932,1266 2.107,1267 2.075,1268 1.485,1269 2.088,1270 1.927,1271 1.893,1272 2.046,1273 2.028,1274 1.313,1275 2.034,1276 1.833,1277 1.785,1278 2.006,1279 1.947,1280 1.207,1281 1.969,1282 1.685,1283 1.618,1284 1.935,1285 1.872,1286 1.158,1287 1.899,1288 1.515,1289 1.461,1290 1.746,1291 1.716,1292 1.012,1293 1.728,1294 1.306,1295 1.232,1296 1.597,1297 1.522,1298 0.825,1299 1.551,1300 1.167,1301 1.095,1302 1.513,1303 1.381,1304 0.76,1305 1.429,1306 1.153,1307 1.064,1308 1.46,1309 1.376,1310 0.666,1311 1.411,1312 4.174,1314 5.468,1316 6.95,1317 2.708,1318 8.513,1319 5.198,1320 10.12,1322 2.154,1328 12.202,1332 0.689,1333 4.873,1340 37.186,1341 79.383,1342 185.993,1343 275.575,1344 324.304,1345 329.814,1346 329.814,1347 47.202,1348 7.677,1349 23.55,1350 23.55,1351 25,1352 12.377,1353 3.807,1354 3,1355 45.142,1356 140,1357 132,1358 0.155,1359 227.691,1360 399.43,1361 547.326,1362 26565,1364 20.054,1365 0.692,1366 0.613,1367 20.054,1368 17.777,1369 14.187,1370 0.443,1371 0.354,1372 11.245,1373 13.909,1374 10.94,1375 9.073,1376 14.187,1377 11.324,1378 12.44,1379 0.289,1380 0.207,1381 12.44,1382 8.889,1383 10.497,1384 0.191,1385 0.123,1386 10.497,1387 6.744,1388 8.346,1389 0.123,1390 0.071,1391 8.346,1392 4.843,1393 7.013,1394 0.081,1395 0.042,1396 7.013,1397 3.669,1398 0.253,1399 86.969,1400 0.213,1401 28.302,1402 0.399,1403 150,1404 311.026,1405 156.267,1406 309.259,1407 428.3,1408 292,1409 173,1410 312.214,1411 180.322,1412 322.754,1413 467.64,1414 304,1415 7.092}
{0 CHEMBL74809,1 1.414,2 12.667,3 5.029,4 25.295,5 114.283,6 7.092,7 0.4,8 4.06,9 4.186,10 3.595,11 3.662,12 4.997,13 3.601,14 4.655,15 4.843,16 3.958,17 4.098,18 5.53,19 4.003,20 4.974,21 5.21,22 3.957,23 4.247,24 5.81,25 4.095,26 5.016,27 5.286,28 3.807,29 4.174,30 5.793,31 3.99,32 4.926,33 5.208,34 3.705,35 4.053,36 5.695,37 3.874,38 4.785,39 5.032,40 3.724,41 3.983,42 5.683,43 3.832,44 4.755,45 4.997,46 3.601,47 3.959,48 5.618,49 3.773,50 4.667,51 4.945,52 3.415,53 3.845,54 5.354,55 3.64,56 0.044,57 0.742,58 11.99,59 5.323,60 5.286,61 7.389,62 0.141,63 1.284,64 23.542,65 9.319,66 14.036,67 13.148,68 0.243,69 1.621,70 35.551,71 13.298,72 33.245,73 18.581,74 0.277,75 1.615,76 37.385,77 13.913,78 37.636,79 19.484,80 0.301,81 1.44,82 36.147,83 12.774,84 32.173,85 17.933,86 0.296,87 1.272,88 29.078,89 10.906,90 37.133,91 14.964,92 0.331,93 1.201,94 31.782,95 10.965,96 41.205,97 14.867,98 0.181,99 1.121,100 28.859,101 10.275,102 22.51,103 14.416,104 5,105 41,106 0.236,107 0.547,108 0.76,109 0.867,110 0.867,111 0.867,112 3.339,113 1.042,114 -5.55,115 -5.43,116 -5.07,121 42.6,123 5,124 1,127 4,144 7,145 3,146 2,159 1,176 13,180 5,185 3,187 16,192 6,197 2,200 13,206 5,211 1,214 9,219 6,227 12,235 1,237 1,239 12,243 1,244 1,249 1,251 13,256 2,261 1,264 7,269 3,274 2,277 4,281 1132,282 18.463,283 18.463,284 18.463,285 18.463,286 18.463,287 16.872,288 23.349,289 10.97,290 18.74,291 14.831,292 14.831,293 14.831,294 14.831,295 14.831,296 12.355,297 28.196,298 5.259,299 15.304,300 4.341,301 2.473,302 1.198,303 0.556,304 0.556,305 0.556,306 4.04,308 1,311 1,312 1,313 755,314 3.082,317 73.661,318 273.509,321 127.016,325 2.148,326 18.531,329 0.75,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.89,337 56.333,338 342,339 4.342,340 3.607,341 6.257,342 3.986,343 2.989,344 3.981,345 1.277,346 9.438,347 2.985,348 4.061,349 3.086,350 5.904,351 3.722,352 2.761,353 3.653,354 0.916,355 8.172,356 2.668,357 3.908,358 3.074,359 5.661,360 3.626,361 2.625,362 3.247,363 0.4,364 7.923,365 2.609,366 3.639,367 2.861,368 5.39,369 3.498,370 2.522,371 2.709,372 0.172,373 7.103,374 2.464,375 3.342,376 2.451,377 5.093,378 3.122,379 2.192,380 2.499,382 6.266,383 2.009,384 3.048,385 2.142,386 4.651,387 2.741,388 1.819,389 2.116,391 5.025,392 1.612,393 2.892,394 1.958,395 4.405,396 2.528,397 1.535,398 2.027,400 4.285,401 1.524,402 2.848,403 1.759,404 4.163,405 2.49,406 1.486,407 1.888,409 3.775,410 1.479,411 2.654,412 1.281,413 3.482,414 2.17,415 1.188,416 1.722,418 2.598,419 1.143,420 2.178,421 1.251,422 3.437,423 2.021,424 1.056,425 1.151,427 2.384,428 1.017,429 2,430 1.086,431 3.414,432 1.984,433 1,434 1,436 2.275,437 0.983,438 1.769,439 1.077,440 3.146,441 1.613,442 0.6,443 0.67,445 1.398,446 0.605,447 1.618,448 0.601,449 2.999,450 1.353,451 0.366,452 0.433,454 0.898,455 0.36,456 1.22,457 0.383,458 2.822,459 1.027,460 0.039,461 0.044,463 0.099,464 0.038,465 0.909,466 0.205,467 2.391,468 0.511,469 -0.398,470 -0.493,472 -0.884,473 -0.256,474 13.348,475 0.494,476 0.588,477 0.022,478 30.75,479 1.139,480 14,481 0.519,482 16.75,483 0.62,484 25.747,485 0.954,486 29.252,487 0.542,488 19.312,489 0.715,490 5.561,491 0.206,492 7.608,493 0.282,494 0.078,496 0.292,501 0.657,502 1.241,503 0.716,504 1.003,505 0.512,506 0.975,507 0.848,508 1.134,509 0.816,510 0.985,511 0.541,512 1.006,513 0.965,514 1.106,515 0.979,516 1.082,517 0.874,518 1.093,519 0.954,520 1.02,521 0.856,522 0.993,523 1.077,524 1.016,525 0.875,526 0.904,527 0.88,528 0.953,529 1.047,530 0.923,531 1.231,532 0.961,533 0.815,534 0.932,535 1.757,536 0.97,537 1.425,538 0.995,539 1.3,540 1.102,541 1.776,542 1.134,543 0.724,544 0.995,545 1.113,546 1.079,547 0.585,548 1.05,549 5.5,550 0.098,551 2.667,552 1.257,553 1.173,554 0.677,555 0.453,556 0.251,557 0.207,558 0.128,559 10929,560 25176,561 2.142,562 50,563 3,564 15,567 1,568 2,569 6,572 1.692,573 2.051,574 3.63,575 -0.419,582 76.34,583 1.414,584 3.282,585 4.557,586 5.199,587 5.199,588 5.199,589 3.087,590 4.607,591 4.728,592 3.835,593 1346.09,594 8.157,595 18492.8,597 1,600 310.764,601 1.218,602 4.706,603 0.183,604 0.005,605 0.065,606 0.033,607 0.038,608 0.023,609 0.016,610 0.01,611 0.01,612 0.006,613 0.39,614 0.5,615 0.88,616 0.454,617 137.839,618 -0.003,619 -0.057,620 0.034,621 0.012,622 0.015,623 0.033,624 -0.063,625 -0.004,626 -0.018,627 -0.012,628 0.038,629 -0.028,630 -0.072,631 -0.091,632 -0.089,633 -0.107,634 0.006,635 -0.113,636 -0.037,637 -0.066,638 -0.007,639 -0.036,640 -0.033,641 -0.043,642 0.061,643 0.024,644 0.045,645 0.014,646 -0.014,647 0.057,648 0.002,649 0.001,650 0.021,651 0.026,652 -0.096,653 -0.007,654 -0.125,655 -0.052,656 -0.195,657 -0.1,658 -0.221,659 -0.153,660 -0.014,661 -0.064,662 -0.073,663 -0.079,664 -0.039,665 -0.047,666 1.369,667 5.581,668 0.778,669 28.436,670 0.988,671 1.121,672 4.324,673 18.696,674 0.671,675 3.434,676 3.738,677 3.97,678 4.19,679 4.369,680 4.382,681 4.443,682 4.522,683 4.489,684 4.543,685 7.647,686 0.619,687 382.97,688 3.434,689 4.963,690 5.796,691 6.653,692 7.497,693 8.355,694 9.204,695 10.062,696 10.913,697 11.772,698 3.7,701 1,703 1,715 7,720 5,722 12,727 1,734 1,740 1,741 54,743 13,744 2,745 30,747 57,748 23,749 12,750 5,751 7,752 1,756 4,757 5,758 1,767 3,768 1,770 5,772 13,773 10,774 1,777 1,782 1,786 1,793 27,794 3,795 1,796 4,797 1,802 2,808 0.75,809 1,828 1,829 3,832 1,855 1,859 3,865 1,868 27,876 9,877 1,880 1,881 1,892 1,893 1.9,896 1,901 13.167,902 9.426,903 5.889,904 3.565,907 2.033,908 1.272,909 0.995,910 5.92,911 9.502,912 3.638,913 4.159,914 4.64,915 5.106,916 5.56,917 5.622,918 5.747,919 5.805,920 5.703,921 5.846,922 1,923 38,924 10.058,926 4.29,927 0.026,929 7.516,931 20.023,933 17.18,936 2.016,937 54.444,940 1,941 306.049,942 108.377,943 21.135,944 39.149,945 25.145,948 108.377,949 370.342,950 21.135,952 21.095,953 66.334,954 48.289,955 18.938,957 306.049,958 39.149,959 306.049,960 129.512,961 25.145,962 39.149,964 235.422,965 95.772,968 24.22,969 87.281,970 57.159,972 306.049,973 46.28,974 147.525,977 306.049,978 42.043,979 69.458,980 18.011,981 64.294,982 306.049,983 46.28,984 147.525,986 0.58,987 0.33,988 0.172,989 0.091,990 20,991 8,992 0.105,993 6,994 1,995 1.095,996 4.127,997 219.898,998 0.095,999 21,1000 124.382,1005 18.677,1006 8.558,1007 4.787,1009 46.28,1010 14.264,1015 5.454,1017 18.011,1018 499.854,1019 37,1024 12.581,1028 0.297,1031 53.341,1032 60.548,1034 0.246,1035 0.57,1036 0.792,1037 0.903,1038 0.903,1039 0.903,1040 4.875,1041 1.486,1042 5.759,1043 4.285,1044 4.419,1045 4.844,1046 1.806,1047 6.506,1048 4.365,1049 6.034,1050 1.188,1051 7.276,1052 3.775,1053 3.892,1054 4.527,1055 0.325,1056 7.235,1057 3.793,1058 7.31,1059 1.056,1060 8.885,1061 2.598,1062 5.958,1063 6.9,1064 1.993,1065 10.28,1066 5.871,1067 8.614,1068 1,1069 10.547,1070 2.384,1071 6.236,1072 7.387,1073 0.393,1074 11.817,1075 6.127,1076 9.95,1077 0.6,1078 12.243,1079 2.275,1080 7.745,1081 9.252,1082 2.342,1083 14.342,1084 7.637,1085 11.307,1086 0.366,1087 13.963,1088 1.398,1089 8.404,1090 10.123,1091 0.384,1092 16.231,1093 8.288,1094 12.679,1095 0.039,1096 15.699,1097 0.898,1098 9.667,1099 11.761,1100 2.756,1101 18.562,1102 9.548,1103 2.989,1104 -0.398,1105 17.448,1106 0.099,1107 10.521,1108 12.837,1109 0.351,1110 20.619,1111 10.399,1112 2.761,1113 9.438,1114 19.207,1115 -0.884,1116 11.671,1117 14.357,1118 3.203,1119 22.875,1120 11.545,1121 2.625,1122 8.172,1123 20.975,1124 3.981,1125 12.625,1126 15.549,1127 0.312,1128 25.014,1129 12.499,1130 2.522,1131 7.923,1132 22.748,1133 3.653,1134 13.724,1135 17.003,1136 3.667,1137 27.244,1138 13.595,1139 2.192,1140 7.103,1141 24.528,1142 3.247,1143 14.731,1144 18.264,1145 0.273,1146 29.425,1147 14.602,1148 1.819,1149 6.266,1150 26.312,1151 2.709,1152 15.809,1153 19.681,1154 4.143,1155 31.649,1156 15.679,1157 1.535,1158 5.025,1159 28.101,1160 2.499,1161 16.844,1162 20.984,1163 0.236,1164 33.854,1165 16.715,1166 10124,1167 15467,1168 20.572,1169 36.222,1170 44.532,1171 45.768,1172 45.113,1173 44.603,1174 44.356,1175 54.28,1176 5.533,1177 123.276,1178 42.989,1179 5.342,1180 5.607,1181 5.813,1182 5.021,1183 4.989,1184 6.981,1185 2.555,1186 15.798,1187 4.985,1188 9.685,1189 1.484,1190 1.526,1191 1.504,1192 1.487,1193 1.479,1194 1.809,1195 0.184,1196 4.109,1197 1.433,1198 4.031,1199 4.066,1200 4.011,1201 3.952,1202 7.427,1203 3.951,1204 3.947,1205 3.988,1206 3.956,1207 3.875,1208 4.939,1209 3.868,1210 3.828,1211 3.871,1212 3.748,1213 3.727,1214 4.747,1215 3.717,1216 3.584,1217 3.633,1218 3.499,1219 3.422,1220 4.391,1221 3.428,1222 3.355,1223 3.427,1224 3.353,1225 3.202,1226 4.26,1227 3.192,1228 3.169,1229 3.232,1230 3.166,1231 3.026,1232 4.083,1233 3.014,1234 3.111,1235 3.206,1236 2.985,1237 2.941,1238 3.874,1239 2.91,1240 2.949,1241 3.014,1242 2.866,1243 2.812,1244 3.691,1245 2.799,1246 0.145,1247 0.12,1248 0.209,1249 0.133,1250 0.1,1251 4.342,1252 0.133,1253 3.607,1254 0.043,1255 6.257,1256 0.315,1257 3.986,1258 0.099,1259 2.989,1260 3.981,1261 1.277,1262 9.438,1263 2.985,1264 1.942,1265 1.912,1266 2.102,1267 2.07,1268 1.485,1269 2.084,1270 1.912,1271 1.889,1272 2.01,1273 1.993,1274 1.21,1275 2.001,1276 1.825,1277 1.78,1278 1.971,1279 1.928,1280 1.157,1281 1.949,1282 1.493,1283 1.437,1284 1.748,1285 1.698,1286 1.026,1287 1.719,1288 1.461,1289 1.385,1290 1.708,1291 1.677,1292 0.938,1293 1.692,1294 1.199,1295 1.144,1296 1.513,1297 1.402,1298 0.825,1299 1.429,1300 1.153,1301 1.064,1302 1.445,1303 1.376,1304 0.679,1305 1.418,1306 0.981,1307 0.922,1308 1.227,1309 1.189,1310 0.431,1311 1.209,1312 4.111,1314 5.416,1315 2.398,1316 6.905,1317 4.595,1318 8.473,1319 6.581,1320 10.082,1323 6.084,1328 9.248,1329 3.351,1332 0.667,1333 2.498,1340 33.434,1341 76.34,1342 177.241,1343 246.093,1344 280.764,1345 280.764,1346 280.764,1347 43.127,1348 7.469,1349 32.34,1350 32.34,1351 23,1352 12.325,1353 3.807,1354 3,1355 40.644,1356 126,1357 102,1358 0.154,1359 207.247,1360 362.74,1361 497.442,1362 20165,1363 1.9,1364 18.64,1365 0.69,1366 0.61,1367 19.14,1368 16.472,1369 13.17,1370 0.439,1371 0.347,1372 10.004,1373 12.62,1374 9.75,1375 8.016,1376 13.459,1377 10.418,1378 11.839,1379 0.289,1380 0.202,1381 12.247,1382 8.296,1383 9.843,1384 0.189,1385 0.118,1386 10.105,1387 6.154,1388 7.991,1389 0.123,1390 0.069,1391 8.26,1392 4.497,1393 6.228,1394 0.08,1395 0.04,1396 6.394,1397 3.133,1398 0.253,1399 83.838,1400 0.22,1401 26.744,1402 0.395,1403 142,1404 325.917,1405 163.425,1406 352.228,1407 473.01,1408 330,1409 164,1410 319.302,1411 180.248,1412 337.592,1413 490.4,1414 319,1415 7.229}
{0 CHEMBL74827,1 1.244,2 15.778,3 8.064,4 65.028,5 151.205,6 6.469,7 0.537,8 4.374,9 4.51,10 3.841,11 3.974,12 5.269,13 3.911,14 4.969,15 5.163,16 4.188,17 4.408,18 5.787,19 4.309,20 5.275,21 5.54,22 4.24,23 4.513,24 6.022,25 4.382,26 5.23,27 5.488,28 4.195,29 4.483,30 5.998,31 4.355,32 5.255,33 5.505,34 4.085,35 4.527,36 5.958,37 4.364,38 5.337,39 5.613,40 3.931,41 4.525,42 5.96,43 4.314,44 5.321,45 5.637,46 3.703,47 4.389,48 5.871,49 4.142,50 5.126,51 5.443,52 3.615,53 4.211,54 5.678,55 3.986,56 0.087,57 1.063,58 17.46,59 7.319,60 10.481,61 10.488,62 0.175,63 1.827,64 32.127,65 12.972,66 20.144,67 18.854,68 0.297,69 2.336,70 44.456,71 16.455,72 33.375,73 24.597,74 0.39,75 2.281,76 42.839,77 15.15,78 36.851,79 22.773,80 0.296,81 2.279,82 43.335,83 16.816,84 28.874,85 24.717,86 0.261,87 2.344,88 46.739,89 19.367,90 29.08,91 28.099,92 0.267,93 2.203,94 46.27,95 18.849,96 29.437,97 27.555,98 0.231,99 1.823,100 38.119,101 15.283,102 23.603,103 22.426,105 56,106 0.192,107 0.472,108 0.611,109 0.719,110 0.744,111 0.744,112 3.615,113 1.037,114 -5.83,115 -5.69,116 -5.3,121 43.2,123 12,127 2,144 8,145 4,146 2,148 4,176 19,180 8,185 6,187 20,192 8,197 6,200 11,206 2,209 2,211 10,214 18,224 4,227 23,232 2,237 2,239 24,244 2,249 2,251 18,256 2,264 18,269 2,273 1,277 18,281 2332,282 25.518,283 25.518,284 25.518,285 25.518,286 25.518,287 22.943,288 23.565,289 15.646,290 25.741,291 20.356,292 20.356,293 20.356,294 20.356,295 20.356,296 16.308,297 27.757,298 7.495,299 20.739,300 4.965,301 3.143,302 2.243,303 1.541,304 1.378,305 1.378,306 4.341,312 1,313 1298,314 3.873,317 146.277,318 370.857,321 280.432,322 314.404,325 2.185,326 15.269,329 0.75,330 0.33,331 0.83,332 0.8,333 0.5,334 0.83,335 0.5,336 0.65,337 74,338 568,339 4.644,340 3.372,341 6.832,342 4.214,343 3.234,344 4.565,345 0.4,346 11.354,347 3.169,348 4.644,349 3.372,350 6.832,351 4.214,352 3.233,353 4.565,354 0.4,355 11.354,356 3.169,357 3.926,358 2.684,359 5.989,360 3.539,361 2.547,362 3.449,364 8.393,365 2.526,366 3.926,367 2.684,368 5.989,369 3.539,370 2.547,371 3.449,373 8.393,374 2.526,375 3.518,376 2.344,377 5.38,378 3.129,379 2.176,380 2.89,382 6.701,383 2.073,384 3.518,385 2.342,386 5.38,387 3.124,388 2.171,389 2.89,391 6.701,392 2.066,393 2.944,394 1.923,395 4.077,396 2.887,397 1.892,398 2.143,400 3.861,401 1.881,402 2.938,403 1.761,404 4.077,405 2.628,406 1.646,407 2.143,409 3.53,410 1.615,411 2.909,412 1.58,413 3.985,414 2.466,415 1.48,416 1.92,418 3.285,419 1.458,420 2.708,421 1.493,422 3.936,423 2.456,424 1.464,425 1.73,427 3.138,428 1.451,429 2.585,430 1.416,431 3.816,432 2.283,433 1.309,434 1.613,436 3.115,437 1.272,438 2.526,439 1.356,440 3.651,441 2.166,442 1.171,443 1.533,445 3.103,446 1.165,447 2.328,448 1.337,449 3.578,450 2.132,451 1.14,452 1.315,454 2.797,455 1.13,456 2.246,457 1.184,458 3.51,459 2.098,460 1.111,461 1.225,463 2.54,464 1.095,465 2.2,466 1.113,467 3.432,468 2.089,469 1.098,470 1.184,472 2.418,473 1.087,474 17.6,475 0.489,476 0.548,477 0.015,478 43.5,479 1.208,480 21,481 0.583,482 22.5,483 0.625,484 37.299,485 1.036,486 38.2,487 0.516,488 27.662,489 0.768,490 7.34,491 0.204,492 10.542,493 0.293,496 0.284,501 0.986,502 1.192,503 0.932,504 1.043,505 0.814,506 0.994,507 1.002,508 1.242,509 1.008,510 1.118,511 0.844,512 1.073,513 1.156,514 1.089,515 0.888,516 0.928,517 0.963,518 0.897,519 1.56,520 0.963,521 1.043,522 0.904,523 1.27,524 0.933,525 1.347,526 1.039,527 1.207,528 1.101,529 1.172,530 1.137,531 0.828,532 1.059,533 1.143,534 1.165,535 0.994,536 1.173,537 0.705,538 0.927,539 0.984,540 1.013,541 0.846,542 1.017,543 0.761,544 0.846,545 0.904,546 0.905,547 0.806,548 0.912,549 3.5,550 0.106,551 3.333,552 2,553 1.956,554 0.674,555 0.361,556 0.224,557 0.169,558 0.132,559 26979,560 49433,561 2.238,562 51.4,563 16,564 12,567 2,568 4,569 4,572 1.763,573 2.204,574 3.767,575 0.038,582 92.078,583 1.244,584 3.066,585 3.966,586 4.669,587 4.831,588 4.831,589 2.969,590 4.059,591 5.154,592 4.085,593 2573.72,594 8.986,595 47035.2,600 459.5,601 0.852,602 5.144,603 0.085,604 0.004,605 0.06,606 0.035,607 0.036,608 0.014,609 0.009,610 0.008,611 0.006,612 0.005,613 0.263,614 0.33,615 0.5,617 203.809,618 0.019,619 -0.019,620 0.07,621 0.039,622 0.136,623 0.055,624 0.022,625 -0.147,626 -0.011,627 -0.081,628 0.116,629 -0.054,630 0.07,631 -0.066,632 0.118,633 0.041,634 0.158,635 0.075,636 -0.041,637 0.109,638 -0.018,639 0.046,640 -0.028,641 0.021,642 -0.239,643 -0.005,644 -0.212,645 -0.111,646 -0.23,647 -0.151,648 -0.099,649 -0.111,650 -0.177,651 -0.161,652 -0.18,653 -0.172,654 -0.001,655 -0.035,656 -0.023,657 -0.033,658 -0.057,659 -0.03,660 0.016,661 0.055,662 0.064,663 0.069,664 -0.002,665 0.07,666 0.529,667 1.912,668 0.722,669 38.025,670 0.979,671 1.122,672 4.599,673 21.148,674 0.662,675 3.738,676 4.043,677 4.382,678 4.71,679 4.942,680 5.056,681 5.182,682 5.263,683 5.215,684 5.106,685 9.853,686 0.609,687 478.74,688 3.738,689 5.273,690 6.142,691 7.027,692 7.918,693 8.815,694 9.715,695 10.619,696 11.523,697 12.429,698 5.4,703 2,708 2,714 4,715 8,716 2,720 6,722 22,734 2,741 74,743 22,744 2,745 41,747 79,748 32,749 18,750 4,751 8,756 6,757 12,767 6,770 12,772 18,773 14,793 38,794 4,795 2,796 4,802 4,808 0.333,822 2,828 2,829 4,832 2,833 2,859 2,868 36,876 14,877 2,901 16.333,902 13.067,903 7.972,904 5.325,907 4.598,908 1.524,909 1.037,910 7.253,911 13.37,912 3.97,913 4.585,914 5.252,915 5.906,916 6.513,917 6.86,918 7.24,919 7.579,920 7.822,921 7.653,922 0.9,923 57,924 13.405,926 5.723,927 0.026,929 7.296,931 27.253,933 23.655,936 1.796,937 64.667,941 423.76,942 137.268,943 69.593,948 137.268,949 423.76,950 69.593,952 34.626,953 75.81,954 69.593,955 26.832,957 423.76,959 423.76,960 206.861,964 376.675,965 47.084,968 44.428,969 92.841,970 69.593,972 423.76,973 69.593,974 137.268,977 423.76,978 61.458,979 75.81,980 36.022,981 33.571,982 423.76,983 69.593,984 137.268,986 0.566,987 0.34,988 0.203,989 0.111,990 28,991 10,992 0.139,993 11,994 4,995 1.308,996 5.006,997 338.781,998 0.308,999 26,1000 150.117,1005 23.585,1006 11.072,1007 5.061,1008 4.856,1009 69.593,1010 17.215,1011 9.825,1015 8.273,1017 36.022,1018 630.62,1019 52,1031 72.428,1032 83.052,1034 0.2,1035 0.494,1036 0.639,1037 0.752,1038 0.778,1039 0.778,1040 5.201,1041 1.646,1042 6.094,1043 3.861,1044 4.727,1045 5.273,1046 0.495,1047 6.921,1048 4.688,1049 6.384,1050 1.48,1051 7.646,1052 3.53,1053 4.111,1054 5.094,1056 7.861,1057 4.05,1058 7.692,1059 1.464,1060 9.312,1061 3.285,1062 6.308,1063 7.554,1064 0.097,1065 11.047,1066 6.23,1067 9.05,1068 1.309,1069 11.052,1070 3.138,1071 6.661,1072 8.314,1074 12.895,1075 6.562,1076 10.45,1077 1.171,1078 12.839,1079 3.115,1080 8.22,1081 10.2,1082 0.016,1083 15.571,1084 8.103,1085 11.881,1086 1.14,1087 14.659,1088 3.103,1089 9.026,1090 11.375,1092 17.761,1093 8.89,1094 13.334,1095 1.111,1096 16.501,1097 2.797,1098 10.336,1099 13.04,1100 0.003,1101 20.275,1102 10.182,1103 3.234,1104 1.098,1105 18.359,1106 2.54,1107 11.349,1108 14.403,1110 22.602,1111 11.174,1112 3.233,1113 11.354,1114 20.228,1115 2.418,1116 12.565,1117 15.979,1119 25.061,1120 12.371,1121 2.547,1122 11.354,1123 22.105,1124 4.565,1125 13.668,1126 17.427,1128 27.445,1129 13.453,1130 2.547,1131 8.393,1132 23.99,1133 4.565,1134 14.851,1135 18.967,1137 29.884,1138 14.616,1139 2.176,1140 8.393,1141 25.879,1142 3.449,1143 15.993,1144 20.453,1146 32.293,1147 15.737,1148 2.171,1149 6.701,1150 27.774,1151 3.449,1152 17.166,1153 21.979,1155 34.726,1156 16.89,1157 1.892,1158 6.701,1159 29.672,1160 2.89,1161 18.324,1162 23.482,1164 37.146,1165 18.027,1166 24004,1167 32652,1168 29.008,1169 48.967,1170 60.192,1171 61.198,1172 61.465,1173 60.62,1174 60.583,1175 77.665,1176 1.6,1177 171.058,1178 59.408,1179 5.613,1180 5.372,1181 6.755,1182 5.259,1183 5.234,1184 7.565,1185 0.8,1186 18.889,1187 5.169,1189 1.468,1190 1.493,1191 1.499,1192 1.479,1193 1.478,1194 1.894,1195 0.039,1196 4.172,1197 1.449,1198 4.141,1199 4.173,1200 4.099,1201 4.067,1202 4.993,1203 4.071,1204 4.096,1205 4.125,1206 4.059,1207 4.026,1208 4.959,1209 4.031,1210 3.782,1211 3.847,1212 3.626,1213 3.662,1214 4.422,1215 3.645,1216 3.714,1217 3.759,1218 3.609,1219 3.638,1220 4.419,1221 3.626,1222 3.714,1223 3.759,1224 3.6,1225 3.634,1226 4.28,1227 3.62,1228 3.6,1229 3.678,1230 3.434,1231 3.441,1232 4.227,1233 3.427,1234 3.376,1235 3.462,1236 3.221,1237 3.187,1238 4.05,1239 3.184,1240 3.193,1241 3.266,1242 3.051,1243 3.059,1244 3.921,1245 3.05,1246 0.113,1247 0.082,1248 0.167,1249 0.103,1250 0.079,1251 4.644,1252 0.111,1253 3.372,1254 0.01,1255 6.832,1256 0.277,1257 4.214,1258 0.077,1259 3.234,1260 4.565,1261 0.4,1262 11.354,1263 3.169,1264 2.039,1265 2.016,1266 2.111,1267 2.125,1268 1.409,1269 2.122,1270 2.038,1271 2.015,1272 2.107,1273 2.123,1274 1.288,1275 2.12,1276 1.793,1277 1.731,1278 2.036,1279 1.951,1280 1.265,1281 1.984,1282 1.625,1283 1.561,1284 1.878,1285 1.811,1286 1.183,1287 1.837,1288 1.564,1289 1.505,1290 1.832,1291 1.733,1292 1.169,1293 1.77,1294 1.551,1295 1.483,1296 1.828,1297 1.724,1298 1.169,1299 1.764,1300 1.514,1301 1.468,1302 1.69,1303 1.65,1304 0.917,1305 1.669,1306 1.488,1307 1.445,1308 1.652,1309 1.606,1310 0.857,1311 1.625,1312 4.419,1314 5.727,1315 3.045,1316 7.242,1317 5.283,1318 8.871,1319 7.298,1320 10.568,1328 16.903,1329 7.595,1340 45.041,1341 92.078,1342 226.894,1343 293.5,1344 345.5,1345 357.5,1346 357.5,1347 47.701,1348 8.772,1349 49.84,1350 49.84,1351 34,1352 12.948,1353 4.524,1354 3.585,1355 49.733,1356 226,1357 135,1358 0.104,1359 271.268,1360 462,1361 653.654,1362 122066,1364 24.158,1365 0.671,1366 0.595,1367 24.158,1368 21.413,1369 17.882,1370 0.436,1371 0.346,1372 14.1,1373 17.624,1374 13.833,1375 11.441,1376 17.882,1377 14.17,1378 15.331,1379 0.274,1380 0.188,1381 15.331,1382 10.54,1383 13.607,1384 0.172,1385 0.102,1386 13.607,1387 8.046,1388 12.119,1389 0.11,1390 0.056,1391 12.119,1392 6.21,1393 9.839,1394 0.071,1395 0.03,1396 9.839,1397 4.199,1398 0.175,1399 109.018,1400 0.186,1401 34.134,1402 0.258,1403 194,1404 381.956,1405 201.549,1406 386.854,1407 565.04,1408 370,1409 232,1410 443.014,1411 240.659,1412 452.95,1413 674.5,1414 434,1415 7.658}
{0 CHEMBL74832,1 1.414,2 13.222,3 4.571,4 20.889,5 109.694,6 6.787,7 0.4,8 4.063,9 4.192,10 3.556,11 3.638,12 5.04,13 3.589,14 4.659,15 4.849,16 3.905,17 4.067,18 5.589,19 3.987,20 4.979,21 5.22,22 3.899,23 4.209,24 5.882,25 4.076,26 5.02,27 5.293,28 3.709,29 4.14,30 5.831,31 3.966,32 4.921,33 5.212,34 3.64,35 4.026,36 5.676,37 3.855,38 4.792,39 5.041,40 3.629,41 3.948,42 5.749,43 3.806,44 4.747,45 5.004,46 3.495,47 3.897,48 5.613,49 3.732,50 4.68,51 4.963,52 3.404,53 3.792,54 5.492,55 3.626,56 0.036,57 0.826,58 12.161,59 5.459,60 5.438,61 7.389,62 0.134,63 1.402,64 23.211,65 9.324,66 17.632,67 12.996,68 0.261,69 1.765,70 33.329,71 12.919,72 44.491,73 17.99,74 0.308,75 1.682,76 35.33,77 13.379,78 49.217,79 18.927,80 0.237,81 1.457,82 31.943,83 12.176,84 33.878,85 17.534,86 0.403,87 1.365,88 28.323,89 10.573,90 52.743,91 14.597,92 0.295,93 1.291,94 26.817,95 10.314,96 43.177,97 14.342,98 0.227,99 1.307,100 25.45,101 9.724,102 35.683,103 13.425,104 5,105 41,106 0.236,107 0.547,108 0.747,109 0.842,110 0.842,111 0.842,112 3.339,113 1.004,114 -5.45,115 -5.33,116 -4.98,121 42.6,123 5,124 1,127 4,144 7,145 3,146 2,159 1,176 13,180 5,185 3,187 14,192 6,197 2,200 11,206 6,211 1,214 8,219 4,227 12,235 1,237 1,239 14,243 1,244 1,249 1,251 10,256 2,261 1,264 6,269 3,274 2,277 3,281 1145,282 18.463,283 18.463,284 18.463,285 18.463,286 18.463,287 16.872,288 23.376,289 10.937,290 18.666,291 14.814,292 14.814,293 14.814,294 14.814,295 14.814,296 12.349,297 27.247,298 5.245,299 15.146,300 4.341,301 2.473,302 1.272,303 0.704,304 0.704,305 0.704,306 4.04,311 1,312 1,313 789,314 3.082,317 74.111,318 275.148,321 127.844,325 2.214,326 23.911,328 1,329 0.75,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.89,337 57.5,338 357,339 4.342,340 3.607,341 6.257,342 3.986,343 2.989,344 3.981,345 1.277,346 9.438,347 2.985,348 4.032,349 3.075,350 5.904,351 3.714,352 2.747,353 3.62,354 0.916,355 8.171,356 2.67,357 3.908,358 3.048,359 5.628,360 3.623,361 2.619,362 3.247,363 0.4,364 7.816,365 2.614,366 3.651,367 2.861,368 5.356,369 3.496,370 2.513,371 2.787,372 0.172,373 7.004,374 2.474,375 3.415,376 2.488,377 5.079,378 3.172,379 2.224,380 2.558,382 6.221,383 2.087,384 3.074,385 2.171,386 4.784,387 2.847,388 1.898,389 2.124,391 5.383,392 1.787,393 2.893,394 1.958,395 4.405,396 2.528,397 1.535,398 2.027,400 4.286,401 1.526,402 2.848,403 1.759,404 4.163,405 2.491,406 1.487,407 1.885,409 3.775,410 1.483,411 2.5,412 1.251,413 3.437,414 2.022,415 1.056,416 1.5,418 2.384,419 1.017,420 2.178,421 1.099,422 3.414,423 2,424 1,425 1.151,427 2.275,428 1,429 2,430 1.077,431 3.414,432 1.984,433 1,434 1,436 2.275,437 0.983,438 1.778,439 1,440 3.152,441 1.623,442 0.612,443 0.681,445 1.422,446 0.614,447 1.62,448 0.723,449 3.004,450 1.358,451 0.376,452 0.443,454 0.923,455 0.367,456 1.394,457 0.6,458 2.838,459 1.152,460 0.184,461 0.211,463 0.436,464 0.176,465 0.884,466 0.173,467 2.392,468 0.663,469 -0.294,470 -0.329,472 -0.655,473 -0.274,474 12.919,475 0.478,476 0.588,477 0.022,478 30.75,479 1.139,480 14,481 0.519,482 16.75,483 0.62,484 24.815,485 0.919,486 29.681,487 0.55,488 20.108,489 0.745,490 5.692,491 0.211,492 7.478,493 0.277,494 0.048,496 0.302,499 1,501 0.594,502 1.124,503 0.847,504 1.085,505 0.487,506 1.016,507 0.737,508 1.055,509 0.972,510 1.07,511 0.505,512 1.048,513 0.901,514 1.034,515 1.066,516 1.105,517 0.806,518 1.106,519 0.844,520 0.903,521 1.027,522 1.037,523 0.865,524 1.056,525 0.573,526 0.755,527 0.802,528 0.902,529 0.62,530 0.889,531 1.059,532 0.835,533 1.064,534 1.003,535 1.332,536 1.038,537 0.91,538 0.926,539 1.067,540 1.052,541 1.105,542 1.088,543 1.017,544 1.071,545 0.992,546 1.007,547 1.016,548 0.998,549 5.5,550 0.114,551 2.889,552 1.007,553 1.253,554 0.621,555 0.453,556 0.298,557 0.174,558 0.143,559 11021,560 25672,561 2.142,562 50,563 3,564 15,567 1,568 2,569 6,572 1.691,573 2.051,574 3.679,575 -0.419,582 76.34,583 1.414,584 3.282,585 4.483,586 5.051,587 5.051,588 5.051,589 3.134,590 4.459,591 4.727,592 3.864,593 1356.27,594 8.154,595 18648.3,597 1,600 310.764,601 1.218,602 4.706,603 0.183,604 0.006,605 0.07,606 0.026,607 0.042,608 0.021,609 0.016,610 0.012,611 0.008,612 0.007,613 0.393,614 0.5,615 0.88,616 0.454,617 138.056,618 -0.007,619 -0.048,620 0.052,621 0.014,622 0.007,623 0.036,624 -0.045,625 -0.039,626 -0.043,627 -0.044,628 0.042,629 -0.04,630 -0.061,631 -0.077,632 -0.11,633 -0.111,634 0.008,635 -0.115,636 -0.048,637 -0.053,638 -0.07,639 -0.068,640 -0.041,641 -0.071,642 0.047,643 0.001,644 0.139,645 0.057,646 0.018,647 0.103,648 0.03,649 0.058,650 -0.077,651 -0.025,652 -0.088,653 -0.063,654 -0.02,655 -0.086,656 -0.105,657 -0.073,658 -0.095,659 -0.103,660 -0.035,661 -0.031,662 -0.005,663 -0.02,664 -0.061,665 -0.009,666 1.846,667 5.559,668 0.778,669 28.971,670 0.991,671 1.129,672 4.219,673 17.798,674 0.654,675 3.434,676 3.738,677 3.97,678 4.174,679 4.382,680 4.369,681 4.454,682 4.522,683 4.466,684 4.564,685 7.729,686 0.611,687 366.52,688 3.434,689 4.963,690 5.796,691 6.65,692 7.496,693 8.351,694 9.201,695 10.056,696 10.909,697 11.764,698 3.7,701 1,703 1,715 7,720 5,722 12,727 1,734 1,740 1,741 54,743 13,744 2,745 30,747 57,748 23,749 12,750 5,751 7,752 1,756 4,757 5,767 3,768 1,770 5,772 13,773 10,774 1,777 1,782 1,786 1,790 1,791 1,793 27,794 4,795 1,796 4,802 2,808 0.75,809 1,828 1,829 3,832 1,855 1,859 3,866 1,868 27,876 9,877 1,880 1,881 1,892 1,893 1.9,896 1,901 13.167,902 9.426,903 5.889,904 3.565,907 2.024,908 1.271,909 0.997,910 5.659,911 9.492,912 3.638,913 4.159,914 4.64,915 5.092,916 5.577,917 5.612,918 5.759,919 5.802,920 5.684,921 5.869,922 0.889,923 38,924 10.086,926 4.345,927 0.026,929 7.66,931 19.883,933 17.072,936 2.16,937 58.333,939 1,940 1,941 306.049,942 113.997,943 21.135,945 25.145,946 14.96,948 113.997,949 331.194,950 36.095,952 21.095,953 66.334,954 48.289,955 24.559,956 14.96,957 306.049,959 306.049,960 135.132,961 40.105,964 250.382,965 95.772,968 24.22,969 92.902,970 18.011,972 321.009,973 46.28,974 113.997,977 306.049,978 47.663,979 69.458,980 18.011,981 40.105,982 306.049,983 61.24,984 113.997,986 0.581,987 0.331,988 0.168,989 0.093,990 20,991 8,992 0.105,993 6,994 1,995 1.095,996 4.139,997 219.281,998 0.095,999 21,1000 120.382,1005 18.343,1006 8.33,1007 4.635,1009 61.24,1010 12.876,1015 4.305,1017 18.011,1018 481.286,1019 37,1024 12.559,1028 0.276,1031 53.53,1032 60.943,1034 0.246,1035 0.57,1036 0.779,1037 0.878,1038 0.878,1039 0.878,1040 4.875,1041 1.487,1042 5.759,1043 4.286,1044 4.419,1045 4.844,1046 1.806,1047 6.503,1048 4.381,1049 6.034,1050 1.056,1051 7.276,1052 3.775,1053 3.892,1054 4.527,1055 0.325,1056 7.235,1057 3.832,1058 7.31,1059 1,1060 8.884,1061 2.384,1062 5.958,1063 6.9,1064 1.993,1065 10.268,1066 5.892,1067 8.614,1068 1,1069 10.545,1070 2.275,1071 6.236,1072 7.387,1073 0.393,1074 11.807,1075 6.16,1076 9.95,1077 0.612,1078 12.24,1079 2.275,1080 7.742,1081 9.249,1082 2.342,1083 14.323,1084 7.657,1085 11.306,1086 0.376,1087 13.958,1088 1.422,1089 8.398,1090 10.115,1091 0.384,1092 16.214,1093 8.312,1094 12.677,1095 0.184,1096 15.693,1097 0.923,1098 9.66,1099 11.752,1100 2.756,1101 18.541,1102 9.566,1103 2.989,1104 -0.294,1105 17.441,1106 0.436,1107 10.509,1108 12.821,1109 0.351,1110 20.599,1111 10.416,1112 2.747,1113 9.438,1114 19.198,1115 -0.655,1116 11.658,1117 14.341,1118 3.203,1119 22.854,1120 11.559,1121 2.619,1122 8.171,1123 20.964,1124 3.981,1125 12.609,1126 15.528,1127 0.312,1128 24.995,1129 12.512,1130 2.513,1131 7.816,1132 22.737,1133 3.62,1134 13.708,1135 16.982,1136 3.667,1137 27.226,1138 13.606,1139 2.224,1140 7.004,1141 24.516,1142 3.247,1143 14.713,1144 18.24,1145 0.273,1146 29.409,1147 14.612,1148 1.898,1149 6.221,1150 26.299,1151 2.787,1152 15.79,1153 19.657,1154 4.143,1155 31.634,1156 15.688,1157 1.535,1158 5.383,1159 28.087,1160 2.558,1161 16.825,1162 20.958,1163 0.236,1164 33.84,1165 16.724,1166 10210,1167 15689,1168 20.572,1169 35.302,1170 44.731,1171 46.014,1172 45.138,1173 44.552,1174 44.478,1175 54.432,1176 5.533,1177 123.622,1178 43.566,1179 5.342,1180 5.607,1181 5.766,1182 5.021,1183 4.989,1184 6.981,1185 2.555,1186 15.798,1187 4.985,1188 9.796,1189 1.491,1190 1.534,1191 1.505,1192 1.485,1193 1.483,1194 1.814,1195 0.184,1196 4.121,1197 1.452,1198 4.031,1199 4.067,1200 3.969,1201 3.951,1202 8.201,1203 3.951,1204 3.949,1205 3.991,1206 3.88,1207 3.862,1208 7.427,1209 3.861,1210 3.831,1211 3.876,1212 3.721,1213 3.724,1214 4.749,1215 3.715,1216 3.585,1217 3.634,1218 3.486,1219 3.421,1220 4.646,1221 3.428,1222 3.357,1223 3.429,1224 3.217,1225 3.199,1226 4.303,1227 3.191,1228 3.177,1229 3.24,1230 3.046,1231 3.015,1232 4.084,1233 3.013,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.855,1239 2.91,1240 2.956,1241 3.019,1242 2.829,1243 2.801,1244 3.683,1245 2.796,1246 0.145,1247 0.12,1248 0.209,1249 0.133,1250 0.1,1251 4.342,1252 0.133,1253 3.607,1254 0.043,1255 6.257,1256 0.315,1257 3.986,1258 0.099,1259 2.989,1260 3.981,1261 1.277,1262 9.438,1263 2.985,1264 1.941,1265 1.911,1266 2.103,1267 2.072,1268 1.485,1269 2.085,1270 1.911,1271 1.885,1272 2.014,1273 1.997,1274 1.21,1275 2.003,1276 1.824,1277 1.778,1278 1.976,1279 1.939,1280 1.152,1281 1.953,1282 1.492,1283 1.436,1284 1.748,1285 1.698,1286 1.024,1287 1.719,1288 1.461,1289 1.384,1290 1.708,1291 1.68,1292 0.937,1293 1.692,1294 1.193,1295 1.138,1296 1.513,1297 1.408,1298 0.825,1299 1.429,1300 1.153,1301 1.064,1302 1.434,1303 1.376,1304 0.667,1305 1.417,1306 0.977,1307 0.918,1308 1.22,1309 1.192,1310 0.422,1311 1.206,1312 4.111,1314 5.416,1315 2.398,1316 6.905,1317 4.595,1318 8.472,1319 6.581,1320 10.078,1324 13.01,1328 8.904,1329 3.34,1332 0.634,1333 2.43,1340 32.989,1341 76.34,1342 177.241,1343 242.093,1344 272.764,1345 272.764,1346 272.764,1347 47.536,1348 7.469,1349 32.34,1350 32.34,1351 23,1352 12.319,1353 3.807,1354 3,1355 40.664,1356 127,1357 121,1358 0.153,1359 200.112,1360 353.6,1361 480.033,1362 20165,1363 1.9,1364 18.64,1365 0.69,1366 0.582,1367 17.769,1368 15.716,1369 13.17,1370 0.439,1371 0.335,1372 9.949,1373 12.811,1374 9.75,1375 8.015,1376 12.776,1377 10.04,1378 11.827,1379 0.288,1380 0.192,1381 11.205,1382 7.857,1383 9.934,1384 0.191,1385 0.114,1386 9.523,1387 5.943,1388 7.782,1389 0.122,1390 0.066,1391 7.64,1392 4.239,1393 6.383,1394 0.081,1395 0.039,1396 6.092,1397 3.059,1398 0.251,1399 81.529,1400 0.22,1401 26.796,1402 0.391,1403 142,1404 385.825,1405 151.737,1406 352.163,1407 472.99,1408 330,1409 164,1410 335.773,1411 173.4,1412 337.456,1413 490.13,1414 319,1415 7.051}
{0 CHEMBL74922,1 1.249,2 15.133,3 6.047,4 36.569,5 127.586,6 6.131,7 0.364,8 4.237,9 4.375,10 3.647,11 3.805,12 5.111,13 3.732,14 4.848,15 5.059,16 3.97,17 4.229,18 5.629,19 4.12,20 5.163,21 5.419,22 3.999,23 4.393,24 5.906,25 4.236,26 5.231,27 5.509,28 3.892,29 4.375,30 5.94,31 4.188,32 5.188,33 5.482,34 3.843,35 4.31,36 5.88,37 4.122,38 5.082,39 5.346,40 3.802,41 4.25,42 5.883,43 4.074,44 5.032,45 5.307,46 3.639,47 4.174,48 5.787,49 3.973,50 4.917,51 5.21,52 3.511,53 4.038,54 5.587,55 3.833,56 0.073,57 0.914,58 16.073,59 6.796,60 8.581,61 9.732,62 0.194,63 1.572,64 29.486,65 11.341,66 16.829,67 16.722,68 0.27,69 1.981,70 39.694,71 15.491,72 32.777,73 22.616,74 0.298,75 2.025,76 42.114,77 16.457,78 36.744,79 23.926,80 0.275,81 1.904,82 40.069,83 15.788,84 31.223,85 22.928,86 0.324,87 1.722,88 36.527,89 14.516,90 38.391,91 20.674,92 0.301,93 1.625,94 34.485,95 13.866,96 37.654,97 19.829,98 0.191,99 1.445,100 30.323,101 12.285,102 24.926,103 17.762,104 8,105 44,106 0.2,107 0.467,108 0.709,109 0.843,110 0.849,111 0.849,112 3.439,113 1.082,114 -5.9,115 -5.76,116 -5.36,121 40.9,122 1,123 7,124 1,127 5,144 8,145 3,146 1,159 1,176 17,180 9,187 17,192 9,200 12,206 8,214 11,219 5,227 17,231 1,232 1,239 20,243 1,244 2,251 15,256 4,264 9,269 6,277 6,281 1582,282 20.8,283 20.8,284 20.8,285 20.8,286 20.8,287 19.258,288 23.521,289 12.679,290 20.984,291 16.291,292 16.291,293 16.291,294 16.291,295 16.291,296 13.914,297 27.979,298 6.029,299 16.578,300 4.795,301 3.124,302 1.617,303 0.78,304 0.739,305 0.739,306 4.141,312 1,313 988,314 3.536,317 80.487,318 310,321 140.356,325 2.418,326 16.541,329 0.75,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.92,337 62,338 454,339 4.406,340 3.609,341 6.55,342 4.08,343 3.106,344 4.02,345 1.277,346 10.363,347 3.04,348 3.981,349 3.294,350 6.004,351 3.735,352 2.746,353 3.457,354 0.916,355 8.51,356 2.727,357 3.94,358 3.017,359 5.616,360 3.665,361 2.682,362 3.308,363 0.8,364 7.786,365 2.618,366 3.598,367 2.557,368 5.331,369 3.455,370 2.457,371 2.636,372 0.172,373 6.945,374 2.452,375 3.209,376 2.35,377 5.108,378 3.04,379 2.085,380 2.286,382 5.941,383 1.982,384 3.124,385 2.223,386 4.953,387 2.936,388 1.965,389 2.203,391 5.829,392 1.9,393 2.899,394 1.867,395 4.217,396 2.53,397 1.526,398 2.019,400 3.874,401 1.531,402 2.818,403 1.574,404 4.158,405 2.455,406 1.456,407 1.91,409 3.596,410 1.453,411 2.671,412 1.52,413 3.592,414 2.407,415 1.41,416 1.678,418 3.038,419 1.404,420 2.5,421 1.347,422 3.443,423 2.193,424 1.207,425 1.5,427 2.551,428 1.187,429 2.334,430 1.088,431 3.414,432 2,433 1,434 1.323,436 2.275,437 1,438 2,439 1.077,440 3.247,441 1.984,442 1,443 1,445 2.136,446 0.983,447 1.842,448 1,449 3.203,450 1.671,451 0.682,452 0.77,454 1.539,455 0.673,456 1.748,457 0.756,458 3.086,459 1.572,460 0.552,461 0.62,463 1.262,464 0.56,465 1.25,466 0.376,467 2.769,468 1.155,469 0.17,470 0.179,472 0.294,473 0.167,474 14.633,475 0.488,476 0.533,477 0.018,478 32.25,479 1.075,480 14,481 0.467,482 18.25,483 0.608,484 31.233,485 1.041,486 33.367,487 0.506,488 20.671,489 0.689,490 5.607,491 0.187,492 9.117,493 0.304,494 0.057,496 0.26,501 0.725,502 1.357,503 0.987,504 1.183,505 0.544,506 1.113,507 1.088,508 1.151,509 1.082,510 1.066,511 0.591,512 1.061,513 1.082,514 1.08,515 1.06,516 1.058,517 0.88,518 1.054,519 1.136,520 1.039,521 1.05,522 1.039,523 1.146,524 1.04,525 0.977,526 0.904,527 0.913,528 0.922,529 1.026,530 0.913,531 1.341,532 1.002,533 1.07,534 1.043,535 1.813,536 1.047,537 1.185,538 1.019,539 1.098,540 1.066,541 1.596,542 1.083,543 0.83,544 0.997,545 0.955,546 1.01,547 0.974,548 0.996,549 5,550 0.131,551 2.889,552 1.417,553 1.227,554 0.761,555 0.569,556 0.341,557 0.213,558 0.168,559 14406,560 25549,561 2.128,562 54.5,563 8,564 18,568 2,569 8,572 1.72,573 2.045,574 3.855,575 -0.891,582 82.431,583 1.249,584 2.92,585 4.427,586 5.264,587 5.306,588 5.306,589 3.381,590 4.574,591 4.874,592 4.023,593 1749.82,594 8.459,595 26231.9,600 398.93,601 1.159,602 4.862,603 0.152,604 0.006,605 0.066,606 0.033,607 0.033,608 0.021,609 0.017,610 0.012,611 0.009,612 0.007,613 0.355,614 0.5,615 0.88,616 0.915,617 159.274,618 0.06,619 -0.129,620 0.069,621 -0.025,622 0.032,623 0.013,624 -0.07,625 0.001,626 -0.041,627 -0.021,628 0.016,629 -0.025,630 -0.052,631 -0.043,632 -0.056,633 -0.055,634 0.028,635 -0.055,636 -0.055,637 -0.057,638 -0.061,639 -0.06,640 -0.037,641 -0.06,642 0.013,643 0.052,644 0.063,645 0.047,646 -0.002,647 0.059,648 0.012,649 -0.029,650 -0.064,651 -0.047,652 -0.103,653 -0.06,654 -0.006,655 -0.062,656 -0.109,657 -0.075,658 -0.12,659 -0.098,660 0.017,661 -0.053,662 0.008,663 -0.029,664 -0.044,665 -0.014,666 1.337,667 5.822,668 0.7,669 38.213,670 0.978,671 1.125,672 4.669,673 21.801,674 0.643,675 3.526,676 3.807,677 4.06,678 4.29,679 4.5,680 4.533,681 4.663,682 4.745,683 4.718,684 4.771,685 8.481,686 0.587,687 404.65,688 3.526,689 5.043,690 5.878,691 6.732,692 7.584,693 8.446,694 9.306,695 10.172,696 11.037,697 11.906,698 3,701 1,704 1,715 8,720 4,722 12,727 1,736 1,741 66,743 13,744 2,745 33,747 69,748 27,749 12,750 4,751 8,752 1,756 4,757 5,763 1,767 3,768 1,770 7,772 13,773 14,774 1,777 1,782 1,786 1,793 36,794 3,796 3,802 2,808 0.75,809 1,828 1,829 3,832 1,855 1,859 3,864 1,868 30,876 12,880 1,881 2,893 1.5,896 1,901 14.667,902 11.817,903 6.75,904 4.647,907 2.024,908 1.261,909 0.975,910 7.358,911 9.781,912 3.714,913 4.19,914 4.673,915 5.136,916 5.604,917 5.688,918 5.96,919 6.054,920 6.027,921 6.153,922 1,923 43,924 11.215,926 4.693,927 0.026,929 7.389,931 22.693,933 19.31,936 1.889,937 56.667,941 423.76,942 130.352,943 6.249,945 25.145,948 130.352,949 448.905,950 6.249,951 8.825,952 28.27,953 75.81,954 30.278,955 18.562,957 423.76,959 423.76,960 136.601,961 25.145,964 329.591,965 119.314,968 40.22,969 96.381,972 423.76,973 31.394,974 130.352,977 423.76,978 45.717,979 90.884,981 25.145,982 423.76,983 31.394,984 130.352,986 0.566,987 0.326,988 0.174,989 0.098,990 20,991 8,992 0.13,993 9,994 1,995 1.095,996 4.403,997 251.387,998 0.095,999 21,1000 139.207,1005 21.278,1006 10.374,1007 5.604,1009 31.394,1010 17.17,1015 5.042,1018 585.506,1019 40,1024 12.822,1028 0.33,1031 64.552,1032 74.264,1034 0.207,1035 0.483,1036 0.732,1037 0.871,1038 0.878,1039 0.878,1040 4.942,1041 1.456,1042 5.826,1043 3.874,1044 4.489,1045 4.875,1046 1.906,1047 6.581,1048 4.456,1049 6.076,1050 1.41,1051 7.344,1052 3.596,1053 3.892,1054 4.443,1055 0.57,1056 7.357,1057 3.836,1058 7.338,1059 1.207,1060 8.962,1061 3.038,1062 6.023,1063 6.882,1064 2.047,1065 10.439,1066 5.954,1067 8.632,1068 1,1069 10.64,1070 2.551,1071 6.293,1072 7.312,1073 0.581,1074 12.087,1075 6.203,1076 9.963,1077 1,1078 12.359,1079 2.275,1080 7.834,1081 9.213,1082 2.367,1083 14.656,1084 7.728,1085 11.319,1086 0.682,1087 14.107,1088 2.136,1089 8.52,1090 10.059,1091 0.515,1092 16.677,1093 8.393,1094 12.695,1095 0.552,1096 15.875,1097 1.539,1098 9.806,1099 11.719,1100 2.767,1101 19.074,1102 9.663,1103 3.106,1104 0.17,1105 17.659,1106 1.262,1107 10.701,1108 12.787,1109 0.441,1110 21.262,1111 10.537,1112 2.746,1113 10.363,1114 19.456,1115 0.294,1116 11.876,1117 14.321,1118 3.207,1119 23.604,1120 11.694,1121 2.682,1122 8.51,1123 21.263,1124 4.02,1125 12.877,1126 15.516,1127 0.373,1128 25.868,1129 12.672,1130 2.457,1131 7.786,1132 23.079,1133 3.457,1134 14.006,1135 16.982,1136 3.669,1137 28.196,1138 13.782,1139 2.085,1140 6.945,1141 24.903,1142 3.308,1143 15.061,1144 18.252,1145 0.314,1146 30.495,1147 14.814,1148 1.965,1149 5.941,1150 26.734,1151 2.636,1152 16.174,1153 19.681,1154 4.143,1155 32.822,1156 15.906,1157 1.526,1158 5.829,1159 28.57,1160 2.286,1161 17.257,1162 20.996,1163 0.264,1164 35.138,1165 16.966,1166 13555,1167 18155,1168 22.652,1169 42.41,1170 48.283,1171 49.283,1172 49.385,1173 48.195,1174 48.16,1175 57.902,1176 6.333,1177 132.059,1178 47.422,1179 5.406,1180 5.609,1181 6.412,1182 5.116,1183 5.106,1184 7.02,1185 2.555,1186 17.143,1187 5.04,1188 10.578,1189 1.463,1190 1.493,1191 1.497,1192 1.46,1193 1.459,1194 1.755,1195 0.192,1196 4.002,1197 1.437,1198 4.047,1199 4.084,1200 3.985,1201 3.964,1202 7.427,1203 3.965,1204 3.946,1205 3.991,1206 3.862,1207 3.863,1208 4.762,1209 3.858,1210 3.827,1211 3.874,1212 3.714,1213 3.726,1214 4.716,1215 3.715,1216 3.678,1217 3.739,1218 3.549,1219 3.538,1220 4.318,1221 3.527,1222 3.553,1223 3.612,1224 3.403,1225 3.398,1226 4.184,1227 3.394,1228 3.357,1229 3.431,1230 3.201,1231 3.202,1232 3.993,1233 3.191,1234 3.169,1235 3.236,1236 3.021,1237 3.016,1238 3.887,1239 3.007,1240 3.113,1241 3.209,1242 2.889,1243 2.941,1244 3.703,1245 2.91,1246 0.134,1247 0.109,1248 0.198,1249 0.124,1250 0.094,1251 4.406,1252 0.122,1253 3.609,1254 0.039,1255 6.55,1256 0.314,1257 4.08,1258 0.092,1259 3.106,1260 4.02,1261 1.277,1262 10.363,1263 3.04,1264 1.945,1265 1.914,1266 2.106,1267 2.072,1268 1.485,1269 2.087,1270 1.917,1271 1.889,1272 2.03,1273 2.004,1274 1.28,1275 2.012,1276 1.828,1277 1.781,1278 1.996,1279 1.943,1280 1.21,1281 1.965,1282 1.705,1283 1.635,1284 1.963,1285 1.887,1286 1.157,1287 1.915,1288 1.492,1289 1.437,1290 1.748,1291 1.682,1292 1.03,1293 1.708,1294 1.454,1295 1.378,1296 1.714,1297 1.669,1298 0.963,1299 1.69,1300 1.216,1301 1.154,1302 1.513,1303 1.423,1304 0.825,1305 1.45,1306 1.153,1307 1.064,1308 1.512,1309 1.376,1310 0.716,1311 1.429,1312 4.205,1314 5.493,1315 2.398,1316 6.974,1317 4.727,1318 8.541,1319 6.823,1320 10.154,1322 2.242,1328 13.33,1332 0.694,1333 5.036,1340 38.713,1341 82.431,1342 192.714,1343 292.201,1344 347.42,1345 350.175,1346 350.175,1347 49.867,1348 7.757,1349 23.55,1350 23.55,1351 23,1352 12.451,1353 3.807,1354 3,1355 47.54,1356 154,1357 154,1358 0.148,1359 237.283,1360 416.73,1361 570.731,1362 28970,1364 20.761,1365 0.692,1366 0.616,1367 20.761,1368 18.484,1369 14.725,1370 0.446,1371 0.361,1372 11.826,1373 14.454,1374 11.52,1375 9.568,1376 14.725,1377 11.9,1378 12.658,1379 0.288,1380 0.207,1381 12.658,1382 9.101,1383 10.717,1384 0.188,1385 0.121,1386 10.717,1387 6.911,1388 8.644,1389 0.12,1390 0.069,1391 8.644,1392 4.979,1393 7.08,1394 0.08,1395 0.041,1396 7.08,1397 3.679,1398 0.244,1399 90.113,1400 0.21,1401 29.328,1402 0.376,1403 154,1404 315.026,1405 160.6,1406 312.858,1407 435.46,1408 296,1409 178,1410 319.566,1411 185.655,1412 328.332,1413 478.81,1414 311,1415 7.538}
{0 CHEMBL74926,1 1.476,2 10.24,3 3.927,4 15.421,5 98.174,6 7.03,7 0.429,8 3.972,9 4.096,10 3.505,11 3.496,12 5.006,13 3.472,14 4.543,15 4.729,16 3.922,17 3.933,18 5.558,19 3.893,20 4.802,21 4.989,22 3.985,23 4.128,24 5.728,25 4.049,26 4.989,27 5.245,28 3.887,29 4.138,30 5.876,31 4.02,32 4.905,33 5.147,34 3.698,35 3.994,36 5.872,37 3.854,38 4.803,39 5.105,40 3.478,41 3.733,42 5.65,43 3.594,44 4.322,45 4.531,46 3.409,47 3.505,48 5.372,49 3.432,50 4.284,51 4.494,52 3.324,53 3.458,54 5.407,55 3.388,56 0.024,57 0.708,58 10.643,59 4.389,60 7.956,61 6.012,62 0.381,63 1.184,64 20.551,65 7.264,66 32.38,67 10.365,68 0.172,69 1.48,70 26.456,71 9.978,72 25.616,73 13.992,74 0.317,75 1.646,76 33.965,77 11.406,78 40.745,79 16.735,80 0.316,81 1.408,82 31.42,83 11.304,84 50.466,85 15.801,86 0.45,87 1.141,88 30.429,89 9.857,90 51.507,91 14.066,92 0.263,93 0.811,94 17.375,95 6.068,96 28.339,97 8.21,98 0.341,99 0.797,100 16.971,101 5.259,102 39.574,103 7.193,104 17,105 42,106 0.252,107 0.579,108 0.748,109 0.84,110 0.86,111 0.86,112 3.267,113 0.922,114 -4.31,115 -4.24,116 -4.01,121 41.7,122 1,123 1,125 1,126 2,127 1,130 1,144 8,145 1,146 3,161 1,176 9,179 2,180 7,183 2,185 2,187 10,192 8,197 2,200 7,206 9,211 3,214 3,218 1,219 9,224 2,227 2,231 1,232 3,237 1,239 4,243 1,244 2,247 1,249 2,251 8,255 1,259 1,264 8,269 2,277 8,281 821,282 16.687,283 16.687,284 16.687,285 16.687,286 16.687,287 15.12,288 24.797,289 9.586,290 17.05,291 13.8,292 13.8,293 13.8,294 13.8,295 13.8,296 11.415,297 36.489,298 4.547,299 14.384,300 4.109,301 2.194,302 1.204,303 0.662,304 0.547,305 0.547,306 3.96,310 1,311 1,312 1,313 565,314 3.391,317 94.62,318 133.649,320 76.386,321 81.218,324 113.567,325 1.51,326 17.659,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 53.5,338 256,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 4.021,349 3.675,350 6.211,351 3.668,352 2.721,353 3.483,354 0.966,355 8.83,356 2.577,357 3.907,358 2.825,359 6.169,360 3.542,361 2.573,362 3.303,363 0.693,364 8.459,365 2.49,366 3.624,367 2.743,368 5.558,369 3.368,370 2.43,371 2.856,372 0.366,373 7.562,374 2.269,375 3.453,376 2.572,377 5.31,378 3.226,379 2.288,380 2.578,382 6.818,383 2.132,384 3.281,385 2.469,386 4.795,387 2.891,388 1.913,389 2.42,391 5.081,392 1.851,393 2.85,394 1.746,395 4.602,396 2.438,397 1.488,398 1.984,400 4.341,401 1.411,402 2.615,403 1.519,404 4.213,405 2.359,406 1.372,407 1.629,409 3.06,410 1.346,411 2.517,412 1.171,413 3.723,414 2.127,415 1.133,416 1.521,418 2.99,419 1.126,420 2.5,421 1,422 3.57,423 2,424 1,425 1.5,427 2.136,428 1,429 1.785,430 0.932,431 3.247,432 1.694,433 0.729,434 0.76,436 1.821,437 0.701,438 1.252,439 0.736,440 3.088,441 0.965,442 0.051,443 0.059,445 0.141,446 0.047,447 1.167,448 0.346,449 2.942,450 0.745,451 -0.244,452 -0.278,454 -0.596,455 -0.236,456 0.762,457 -0.017,458 2.602,459 0.636,460 -0.313,461 -0.366,463 -0.761,464 -0.297,465 0.67,466 -0.218,467 2.427,468 0.308,469 -0.678,470 -0.839,472 -1.876,473 -0.66,474 11.867,475 0.475,476 0.771,477 0.031,478 31.75,479 1.27,480 15,481 0.6,482 16.75,483 0.67,484 21.348,485 0.854,486 27.133,487 0.565,488 22.707,489 0.908,490 6.148,491 0.246,492 5.839,493 0.234,494 0.154,495 0.042,496 0.32,501 0.812,502 1.435,503 0.82,504 1.155,505 0.622,506 1.009,507 0.716,508 0.898,509 0.812,510 0.799,511 0.402,512 0.799,513 1.011,514 1.348,515 1.079,516 1.226,517 0.728,518 1.171,519 1.001,520 0.975,521 1.041,522 1.002,523 0.649,524 1.005,525 1.162,526 1.153,527 1.139,528 1.248,529 1.342,530 1.208,531 1.339,532 0.618,533 0.765,534 0.634,535 1.23,536 0.638,537 1.484,538 1.007,539 1.016,540 0.993,541 1.544,542 0.969,543 1.913,544 0.835,545 1.256,546 0.839,547 2.699,548 0.947,549 6,550 0.134,551 3.556,552 3.458,553 1.397,554 0.764,555 0.531,556 0.269,557 0.274,558 0.191,559 7295,560 16247,561 2.095,562 47.9,563 3,564 16,565 1,567 1,569 2,572 1.678,573 1.935,574 3.282,575 -0.356,577 1,582 70.843,583 1.476,584 3.391,585 4.381,586 4.923,587 5.038,588 5.038,589 2.699,590 4.404,591 4.615,592 3.452,593 1035.73,594 7.971,595 12338.5,597 1,599 1,600 268.078,601 1.643,602 4.557,603 0.214,604 0.008,605 0.085,606 0.08,607 0.038,608 0.027,609 0.022,610 0.012,611 0.013,612 0.01,613 0.509,614 0.5,615 1,616 0.609,617 119.989,618 -0.01,619 -0.231,620 0.076,621 -0.084,622 -0.047,623 -0.008,624 0.274,625 0.258,626 0.143,627 0.192,628 0.239,629 0.161,630 -0.094,631 -0.266,632 -0.14,633 -0.209,634 -0.032,635 -0.188,636 -0.088,637 0.034,638 -0.061,639 -0.05,640 0.09,641 -0.042,642 -0.018,643 -0.228,644 -0.146,645 -0.264,646 -0.056,647 -0.229,648 0.007,649 0.189,650 0.294,651 0.304,652 -0.007,653 0.331,654 -0.002,655 -0.041,656 0.005,657 -0.011,658 -0.055,659 -0.014,660 -0.218,661 0.195,662 -0.209,663 0.092,664 -0.324,665 -0.04,666 2.136,667 5.154,668 0.72,669 20.634,670 0.996,671 1.126,672 3.079,673 9.478,674 0.657,675 3.367,676 3.761,677 4.094,678 4.443,679 4.635,680 4.7,681 4.883,682 4.956,683 4.949,684 5.004,685 5.997,686 0.62,687 337.46,688 3.367,689 4.949,690 5.838,691 6.767,692 7.68,693 8.621,694 9.548,695 10.495,696 11.433,697 12.385,698 6.3,701 1,704 1,705 1,715 8,720 4,722 12,736 1,737 1,741 48,743 13,744 2,745 28,747 51,748 20,749 12,750 4,751 8,756 4,757 7,763 1,764 1,766 1,767 1,770 1,772 13,773 7,777 1,782 1,786 1,790 1,793 23,794 5,795 1,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 3,868 25,876 2,877 1,878 1,880 1,881 2,882 1,893 4.2,896 1,898 1,901 12.917,902 9.483,903 5.319,904 2.822,907 2.117,908 1.28,909 0.971,910 3.971,911 9.669,912 3.584,913 4.159,914 4.682,915 5.242,916 5.717,917 5.858,918 6.213,919 6.482,920 6.585,921 6.783,922 0.857,923 43,924 9.26,926 3.993,927 0.026,929 7.617,931 18.004,933 15.334,936 2.117,937 52.917,940 1,941 258.964,942 126.773,943 24.259,945 36.145,948 126.773,949 295.109,950 24.259,951 25.618,952 22.651,953 75.81,954 25.145,955 31.191,956 18.534,957 247.193,959 258.964,960 151.033,961 36.145,964 235.422,965 59.687,968 34.601,969 116.432,972 258.964,973 60.404,974 126.773,977 258.964,978 25.345,979 107.677,980 18.011,981 36.145,982 258.964,983 60.404,984 126.773,986 0.597,987 0.359,988 0.205,989 0.106,990 23,991 10,992 0.059,993 3,994 2,995 1.222,996 3.665,997 217.709,998 0.222,999 18,1000 112.096,1005 16.431,1006 6.042,1007 2.697,1009 60.404,1010 15.26,1015 3.777,1017 18.011,1018 446.142,1019 35,1024 12.154,1028 -0.47,1031 47.796,1032 54.066,1034 0.264,1035 0.607,1036 0.784,1037 0.881,1038 0.902,1039 0.902,1040 4.875,1041 1.372,1042 5.883,1043 4.341,1044 4.443,1045 4.844,1046 2.466,1047 6.825,1048 4.364,1049 6.092,1050 1.133,1051 7.529,1052 3.06,1053 4.29,1054 4.691,1055 1.905,1056 8.207,1057 4.18,1058 7.427,1059 1,1060 9.296,1061 2.99,1062 6.192,1063 6.953,1064 3.531,1065 11.384,1066 6.048,1067 8.798,1068 0.729,1069 11.143,1070 2.136,1071 6.889,1072 7.564,1073 3.612,1074 13.681,1075 6.73,1076 10.208,1077 0.051,1078 13.046,1079 1.821,1080 8.346,1081 9.371,1082 4.913,1083 16.511,1084 8.164,1085 11.646,1086 -0.244,1087 14.991,1088 0.141,1089 9.415,1090 10.351,1091 5.293,1092 19.115,1093 9.224,1094 13.108,1095 -0.313,1096 16.968,1097 -0.596,1098 10.747,1099 11.965,1100 6.388,1101 21.867,1102 10.538,1103 3.737,1104 -0.678,1105 18.97,1106 -0.761,1107 11.968,1108 13.144,1109 6.931,1110 24.561,1111 11.747,1112 2.721,1113 15.306,1114 20.99,1115 -1.876,1116 13.276,1117 14.664,1118 7.902,1119 27.295,1120 13.037,1121 2.573,1122 8.83,1123 23.025,1124 4.206,1125 14.555,1126 15.954,1127 8.539,1128 30.013,1129 14.301,1130 2.43,1131 8.459,1132 25.071,1133 3.483,1134 15.863,1135 17.428,1136 9.436,1137 32.743,1138 15.59,1139 2.288,1140 7.562,1141 27.125,1142 3.303,1143 17.165,1144 18.781,1145 10.13,1146 35.468,1147 16.874,1148 1.913,1149 6.818,1150 29.185,1151 2.856,1152 18.476,1153 20.233,1154 10.981,1155 38.197,1156 18.166,1157 1.488,1158 5.081,1159 31.25,1160 2.578,1161 19.788,1162 21.621,1163 11.71,1164 40.924,1165 19.457,1166 6902,1167 10440,1168 18.493,1169 31.54,1170 43.276,1171 43.987,1172 44.983,1173 42.843,1174 42.872,1175 52.599,1176 8.422,1177 133.093,1178 41.213,1179 5.797,1180 5.973,1181 7.808,1182 5.802,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 12.265,1189 1.546,1190 1.571,1191 1.607,1192 1.53,1193 1.531,1194 1.879,1195 0.301,1196 4.753,1197 1.472,1198 4.092,1199 4.13,1200 4.039,1201 3.996,1202 7.435,1203 4.001,1204 3.899,1205 3.934,1206 3.832,1207 3.821,1208 4.845,1209 3.818,1210 3.699,1211 3.741,1212 3.615,1213 3.563,1214 4.756,1215 3.566,1216 3.397,1217 3.438,1218 3.335,1219 3.114,1220 4.445,1221 3.158,1222 3.272,1223 3.362,1224 3.101,1225 3.047,1226 4.143,1227 3.043,1228 3.227,1229 3.31,1230 3.036,1231 2.997,1232 3.931,1233 3.007,1234 2.976,1235 3.093,1236 2.713,1237 2.761,1238 3.888,1239 2.727,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.77,1245 2.715,1246 0.173,1247 0.142,1248 0.286,1249 0.168,1250 0.133,1251 4.832,1252 0.15,1253 3.973,1254 0.078,1255 8.006,1256 0.547,1257 4.714,1258 0.131,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.907,1265 1.887,1266 2.014,1267 2.01,1268 1.31,1269 2.009,1270 1.881,1271 1.85,1272 1.999,1273 1.969,1274 1.062,1275 1.98,1276 1.633,1277 1.577,1278 1.832,1279 1.836,1280 1.056,1281 1.837,1282 1.534,1283 1.453,1284 1.787,1285 1.754,1286 1.012,1287 1.774,1288 1.255,1289 1.205,1290 1.58,1291 1.563,1292 0.644,1293 1.546,1294 1.153,1295 1.082,1296 1.453,1297 1.443,1298 0.563,1299 1.434,1300 1.014,1301 0.899,1302 1.317,1303 1.291,1304 0.347,1305 1.353,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.278,1311 1.107,1312 4.043,1314 5.416,1315 3.045,1316 6.987,1317 5.638,1318 8.656,1319 7.921,1320 10.385,1322 6.611,1328 2.176,1329 2.75,1330 5.517,1332 0.357,1333 4.721,1334 0.064,1340 29.762,1341 70.843,1342 162.775,1343 210.304,1344 236.304,1345 241.814,1346 241.814,1347 35.473,1348 7.552,1349 44.81,1350 44.81,1351 22,1352 12.876,1353 3.807,1354 3,1355 36.085,1356 91,1357 93,1358 0.199,1359 180.927,1360 315.42,1361 433.223,1362 18981,1364 17.604,1365 0.704,1366 0.593,1367 17.604,1368 14.821,1369 11.987,1370 0.428,1371 0.307,1372 8.48,1373 11.532,1374 8.168,1375 6.802,1376 11.987,1377 8.604,1378 11.437,1379 0.272,1380 0.171,1381 11.437,1382 7.192,1383 9.81,1384 0.166,1385 0.094,1386 9.81,1387 5.532,1388 8.892,1389 0.106,1390 0.052,1391 8.892,1392 4.391,1393 6.842,1394 0.067,1395 0.028,1396 6.842,1397 2.891,1398 0.311,1399 75.006,1400 0.233,1401 24.147,1402 0.549,1403 140,1404 359.094,1405 153.359,1406 347.551,1407 484.64,1408 326,1409 171,1410 369.092,1411 184.642,1412 375.549,1413 554.61,1414 351,1415 7.657}
{0 CHEMBL74927,1 1.385,2 16.308,3 8.931,4 79.766,5 156.239,6 6.867,7 0.5,8 4.422,9 4.554,10 3.926,11 4.004,12 5.391,13 3.956,14 5.021,15 5.211,16 4.293,17 4.437,18 5.96,19 4.357,20 5.355,21 5.611,22 4.398,23 4.584,24 6.235,25 4.48,26 5.338,27 5.591,28 4.35,29 4.561,30 6.244,31 4.447,32 5.332,33 5.579,34 4.265,35 4.585,36 6.135,37 4.451,38 5.405,39 5.666,40 4.194,41 4.602,42 6.199,43 4.43,44 5.441,45 5.735,46 4.037,47 4.512,48 6.206,49 4.318,50 5.313,51 5.618,52 3.853,53 4.329,54 6.127,55 4.138,56 0.054,57 1.251,58 17.236,59 7.746,60 6.825,61 10.486,62 0.141,63 2.113,64 32.945,65 13.679,66 25.571,67 19.003,68 0.391,69 2.724,70 48.946,71 17.796,72 54.182,73 25.43,74 0.597,75 2.682,76 48.175,77 16.767,78 65.568,79 24.517,80 0.36,81 2.586,82 46.99,83 17.599,84 37.665,85 25.397,86 0.45,87 2.732,88 51.059,89 20.264,90 48.762,91 28.84,92 0.462,93 2.752,94 54.905,95 21.02,96 61.572,97 29.265,98 0.596,99 2.462,100 49.725,101 18.089,102 78.271,103 24.611,104 5,105 61,106 0.212,107 0.488,108 0.622,109 0.725,110 0.752,111 0.752,112 3.692,113 1.014,114 -6.73,115 -6.55,116 -6.07,121 42.9,123 13,127 2,144 6,145 4,146 4,148 4,176 16,180 8,185 6,187 19,192 6,197 6,200 12,206 4,209 2,211 10,214 17,224 4,227 20,232 2,237 2,239 24,244 2,251 20,256 2,260 1,264 18,269 2,277 14,281 2862,282 27.12,283 27.12,284 27.12,285 27.12,286 27.12,287 24.495,288 26.82,289 16.419,290 27.468,291 21.822,292 21.822,293 21.822,294 21.822,295 21.822,296 17.634,297 26.14,298 7.899,299 22.446,300 4.882,301 3.075,302 2.199,303 1.526,304 1.351,305 1.351,306 4.415,313 1432,314 3.873,318 564.125,322 643.656,325 2.083,326 35.353,329 0.5,330 0.33,331 0.5,332 0.6,333 0.5,334 0.67,335 1,336 0.59,337 83,338 636,339 4.651,340 3.372,341 6.833,342 4.214,343 3.235,344 4.582,345 0.4,346 11.364,347 3.168,348 4.651,349 3.372,350 6.833,351 4.214,352 3.235,353 4.582,354 0.4,355 11.364,356 3.168,357 3.99,358 2.926,359 6.004,360 3.59,361 2.61,362 3.534,364 8.477,365 2.557,366 3.99,367 2.926,368 6.004,369 3.59,370 2.61,371 3.534,373 8.477,374 2.557,375 3.584,376 2.558,377 5.427,378 3.208,379 2.254,380 2.961,382 6.886,383 2.141,384 3.583,385 2.557,386 5.427,387 3.204,388 2.251,389 2.961,391 6.886,392 2.137,393 3.366,394 2.269,395 4.899,396 2.934,397 1.99,398 2.699,400 5.573,401 1.884,402 3.365,403 2.266,404 4.899,405 2.917,406 1.981,407 2.699,409 5.573,410 1.839,411 2.903,412 1.922,413 4.121,414 2.853,415 1.866,416 1.914,418 3.843,419 1.818,420 2.721,421 1.765,422 4.121,423 2.571,424 1.595,425 1.77,427 3.501,428 1.554,429 2.657,430 1.57,431 3.998,432 2.437,433 1.447,434 1.703,436 3.395,437 1.431,438 2.549,439 1.445,440 3.948,441 2.422,442 1.428,443 1.555,445 3.346,446 1.419,447 2.49,448 1.434,449 3.792,450 2.251,451 1.26,452 1.489,454 3.154,455 1.248,456 2.485,457 1.432,458 3.623,459 2.249,460 1.256,461 1.485,463 3.027,464 1.246,465 2.257,466 1.335,467 3.583,468 2.192,469 1.225,470 1.251,472 2.754,473 1.181,474 18.671,475 0.479,476 0.76,477 0.019,478 45.5,479 1.167,480 21,481 0.538,482 24.5,483 0.628,484 43.105,485 1.105,486 42.529,487 0.552,488 32.217,489 0.826,490 7.747,491 0.199,492 11.423,493 0.293,494 0.031,496 0.321,499 2,501 0.606,502 1.063,503 0.836,504 1.055,505 0.498,506 0.994,507 0.634,508 1.113,509 0.901,510 1.129,511 0.483,512 1.069,513 0.872,514 0.985,515 0.859,516 0.91,517 0.763,518 0.883,519 0.771,520 0.867,521 0.978,522 0.946,523 0.61,524 0.975,525 0.706,526 0.89,527 1.059,528 1.044,529 0.509,530 1.082,531 0.541,532 0.928,533 1.043,534 1.167,535 0.537,536 1.18,537 0.92,538 0.994,539 1.024,540 1.065,541 0.995,542 1.066,543 1.352,544 0.966,545 1.087,546 0.933,547 1.487,548 0.968,549 5.5,550 0.124,551 3.778,552 2.625,553 2.542,554 0.986,555 0.803,556 0.385,557 0.262,558 0.174,559 31076,560 69498,561 2.187,562 49.4,563 18,564 10,567 2,568 4,569 4,572 1.786,573 2.108,574 3.847,575 0.06,582 106.656,583 1.385,584 3.192,585 4.068,586 4.741,587 4.916,588 4.916,589 3.1,590 4.311,591 5.268,592 4.12,593 3052.81,594 9.233,595 57505.9,600 482.543,601 1.154,602 5.243,603 0.125,604 0.004,605 0.062,606 0.04,607 0.042,608 0.018,609 0.016,610 0.01,611 0.008,612 0.006,613 0.33,614 0.33,615 0.63,616 0.355,617 224.424,618 -0.015,619 -0.017,620 0.053,621 0.038,622 0.014,623 0.052,624 0.01,625 -0.143,626 0.015,627 -0.087,628 0.082,629 -0.047,630 -0.016,631 -0.044,632 0.112,633 0.065,634 0.014,635 0.1,636 0.057,637 0.059,638 -0.01,639 0.004,640 0.051,641 -0.011,642 -0.07,643 -0.019,644 -0.122,645 -0.069,646 -0.026,647 -0.093,648 0.078,649 -0.074,650 -0.109,651 -0.168,652 0.036,653 -0.169,654 -0.022,655 -0.081,656 -0.042,657 -0.078,658 -0.046,659 -0.067,660 -0.095,661 0.067,662 -0.053,663 0.043,664 -0.119,665 0.01,666 1.892,667 5.853,668 0.718,669 41.041,670 0.991,671 1.132,672 5.503,673 30.287,674 0.657,675 3.807,676 4.127,677 4.443,678 4.771,679 5.081,680 5.193,681 5.323,682 5.447,683 5.493,684 5.347,685 9.907,686 0.615,687 528.75,688 3.807,689 5.352,690 6.217,691 7.106,692 7.993,693 8.894,694 9.792,695 10.698,696 11.601,697 12.51,698 5.2,703 2,708 2,714 4,715 6,716 2,720 8,722 22,734 2,740 2,741 77,743 22,744 2,745 44,747 82,748 33,749 18,750 6,751 6,756 6,757 12,767 8,770 13,772 18,773 15,791 2,793 38,794 6,795 2,796 6,802 4,808 0.333,822 2,829 6,833 4,859 2,866 2,868 39,876 15,877 2,892 2,901 18.5,902 13.686,903 8.556,904 5.535,907 4.665,908 1.515,909 1.031,910 8.137,911 13.718,912 4.025,913 4.654,914 5.303,915 5.962,916 6.607,917 6.989,918 7.363,919 7.736,920 8.014,921 7.863,922 1,923 66,924 14.59,926 6.351,927 0.026,929 7.59,931 28.912,933 25.061,936 2.09,937 81.5,941 423.76,942 139.092,943 69.593,946 29.92,948 139.092,949 423.76,950 99.513,952 37.16,953 56.857,954 69.593,955 45.074,956 29.92,957 423.76,959 423.76,960 208.685,961 29.92,964 406.595,965 47.084,968 46.962,969 92.13,970 69.593,972 453.68,973 69.593,974 139.092,977 423.76,978 82.235,979 56.857,980 36.022,981 63.491,982 423.76,983 99.513,984 139.092,986 0.573,987 0.336,988 0.198,989 0.119,990 30,991 12,992 0.122,993 10,994 4,995 1.286,996 5.101,997 383.454,998 0.286,999 28,1000 168.131,1005 26.296,1006 12.069,1007 5.834,1008 3.603,1009 99.513,1010 9.963,1011 9.567,1015 6.845,1017 36.022,1018 662.365,1019 55,1031 76.337,1032 87.146,1034 0.221,1035 0.509,1036 0.649,1037 0.756,1038 0.784,1039 0.784,1040 5.27,1041 1.981,1042 6.184,1043 5.573,1044 4.812,1045 5.342,1046 0.495,1047 7.011,1048 4.756,1049 6.467,1050 1.866,1051 7.741,1052 5.573,1053 4.29,1054 5.247,1056 7.941,1057 4.187,1058 7.783,1059 1.595,1060 9.406,1061 3.843,1062 6.402,1063 7.629,1064 0.097,1065 11.11,1066 6.299,1067 9.143,1068 1.447,1069 11.138,1070 3.501,1071 6.758,1072 8.41,1074 12.925,1075 6.619,1076 10.541,1077 1.428,1078 12.915,1079 3.395,1080 8.298,1081 10.266,1082 0.016,1083 15.606,1084 8.155,1085 11.967,1086 1.26,1087 14.724,1088 3.346,1089 9.088,1090 11.445,1092 17.779,1093 8.919,1094 13.415,1095 1.256,1096 16.556,1097 3.154,1098 10.394,1099 13.098,1100 0.003,1101 20.296,1102 10.214,1103 3.235,1104 1.225,1105 18.404,1106 3.027,1107 11.393,1108 14.462,1110 22.616,1111 11.19,1112 3.235,1113 11.364,1114 20.265,1115 2.754,1116 12.607,1117 16.033,1119 25.076,1120 12.39,1121 2.61,1122 11.364,1123 22.136,1124 4.582,1125 13.7,1126 17.482,1128 27.458,1129 13.462,1130 2.61,1131 8.477,1132 24.015,1133 4.582,1134 14.882,1135 19.022,1137 29.898,1138 14.626,1139 2.254,1140 8.477,1141 25.901,1142 3.534,1143 16.018,1144 20.51,1146 32.307,1147 15.74,1148 2.251,1149 6.886,1150 27.792,1151 3.534,1152 17.189,1153 22.037,1155 34.74,1156 16.893,1157 1.99,1158 6.886,1159 29.687,1160 2.961,1161 18.344,1162 23.543,1164 37.16,1165 18.027,1166 28082,1167 42240,1168 30.512,1169 50.603,1170 64.791,1171 65.997,1172 66.591,1173 65.152,1174 64.982,1175 82.378,1176 1.6,1177 185.703,1178 63.052,1179 5.615,1180 5.372,1181 6.741,1182 5.256,1183 5.235,1184 7.582,1185 0.8,1186 18.902,1187 5.168,1188 12.842,1189 1.473,1190 1.5,1191 1.513,1192 1.481,1193 1.477,1194 1.872,1195 0.036,1196 4.221,1197 1.433,1198 4.14,1199 4.171,1200 4.102,1201 4.061,1202 8.203,1203 4.067,1204 4.092,1205 4.12,1206 4.06,1207 4.018,1208 8.2,1209 4.025,1210 3.769,1211 3.834,1212 3.648,1213 3.657,1214 4.95,1215 3.647,1216 3.739,1217 3.786,1218 3.64,1219 3.649,1220 4.916,1221 3.639,1222 3.738,1223 3.785,1224 3.597,1225 3.633,1226 4.312,1227 3.616,1228 3.565,1229 3.645,1230 3.408,1231 3.394,1232 4.305,1233 3.385,1234 3.361,1235 3.435,1236 3.246,1237 3.197,1238 4.279,1239 3.199,1240 3.255,1241 3.312,1242 3.146,1243 3.125,1244 4.22,1245 3.12,1246 0.106,1247 0.077,1248 0.155,1249 0.096,1250 0.074,1251 4.651,1252 0.104,1253 3.372,1254 0.009,1255 6.833,1256 0.258,1257 4.214,1258 0.072,1259 3.235,1260 4.582,1261 0.4,1262 11.364,1263 3.168,1264 2.069,1265 2.045,1266 2.153,1267 2.164,1268 1.439,1269 2.162,1270 2.069,1271 2.044,1272 2.15,1273 2.163,1274 1.434,1275 2.16,1276 1.778,1277 1.716,1278 2.027,1279 1.942,1280 1.383,1281 1.975,1282 1.749,1283 1.706,1284 1.933,1285 1.874,1286 1.177,1287 1.897,1288 1.749,1289 1.705,1290 1.93,1291 1.873,1292 1.14,1293 1.896,1294 1.562,1295 1.488,1296 1.828,1297 1.771,1298 1.106,1299 1.794,1300 1.33,1301 1.266,1302 1.578,1303 1.554,1304 0.819,1305 1.566,1306 1.239,1307 1.189,1308 1.465,1309 1.409,1310 0.755,1311 1.421,1312 4.489,1314 5.808,1316 7.34,1318 8.985,1320 10.694,1324 27.707,1328 16.413,1329 7.403,1340 47.335,1341 106.656,1342 245.787,1343 313.219,1344 365.033,1345 378.543,1346 378.543,1347 70.926,1348 9.053,1349 49.84,1350 49.84,1351 36,1352 13.027,1353 4.524,1354 3.585,1355 55.764,1356 246,1357 170,1358 0.108,1359 283.257,1360 491.44,1361 682.907,1362 166838,1363 2.6,1364 26.606,1365 0.682,1366 0.583,1367 24.865,1368 22.721,1369 19.17,1370 0.436,1371 0.338,1372 14.749,1373 18.675,1374 14.51,1375 11.958,1376 18.382,1377 14.87,1378 16.952,1379 0.278,1380 0.183,1381 15.685,1382 11.183,1383 14.528,1384 0.173,1385 0.1,1386 13.857,1387 8.407,1388 12.812,1389 0.11,1390 0.055,1391 12.284,1392 6.408,1393 11.215,1394 0.07,1395 0.031,1396 10.782,1397 4.926,1398 0.18,1399 118.476,1400 0.181,1401 36.077,1402 0.272,1403 210,1404 574.178,1405 225.211,1406 515.331,1407 713.54,1408 486,1409 250,1410 533.681,1411 264.48,1412 530.409,1413 787.42,1414 506,1415 9.222}
{0 CHEMBL74940,1 1.397,2 15.474,3 8.475,4 71.826,5 151.638,6 6.956,7 0.512,8 4.387,9 4.517,10 3.903,11 3.971,12 5.367,13 3.926,14 4.983,15 5.171,16 4.275,17 4.405,18 5.936,19 4.329,20 5.315,21 5.567,22 4.381,23 4.552,24 6.21,25 4.453,26 5.298,27 5.547,28 4.332,29 4.528,30 6.22,31 4.42,32 5.291,33 5.534,34 4.246,35 4.553,36 6.108,37 4.423,38 5.367,39 5.625,40 4.173,41 4.57,42 6.174,43 4.402,44 5.404,45 5.696,46 4.013,47 4.479,48 6.183,49 4.287,50 5.27,51 5.572,52 3.822,53 4.289,54 6.094,55 4.101,56 0.048,57 1.212,58 16.331,59 7.39,60 6.632,61 9.94,62 0.129,63 2.048,64 31.349,65 13.075,66 25.026,67 18.061,68 0.377,69 2.644,70 46.875,71 17.04,72 53.595,73 24.206,74 0.582,75 2.603,76 46.046,77 15.997,78 64.593,79 23.267,80 0.346,81 2.506,82 44.853,83 16.808,84 36.762,85 24.134,86 0.434,87 2.653,88 49.025,89 19.495,90 48.393,91 27.651,92 0.478,93 2.675,94 53.156,95 20.402,96 63.728,97 28.229,98 0.549,99 2.381,100 47.816,101 17.461,102 78.17,103 23.627,104 5,105 60,106 0.215,107 0.499,108 0.633,109 0.728,110 0.744,111 0.744,112 3.667,113 1.003,114 -6.55,115 -6.37,116 -5.91,121 43.2,123 12,127 2,144 6,145 4,146 4,148 4,176 15,180 8,185 6,187 18,192 6,197 6,200 11,206 4,209 2,211 10,214 16,224 4,227 20,232 2,239 24,244 2,248 1,251 20,256 2,264 14,269 2,274 4,277 10,281 2616,282 26.413,283 26.413,284 26.413,285 26.413,286 26.413,287 23.788,288 26.82,289 15.919,290 26.761,291 21.322,292 21.322,293 21.322,294 21.322,295 21.322,296 17.134,297 26.14,298 7.649,299 21.946,300 4.812,301 2.968,302 2.101,303 1.486,304 1.378,305 1.378,306 4.391,313 1326,314 3.742,318 533.342,322 608.345,325 1.928,326 35.325,329 0.5,330 0.5,331 0.5,332 0.6,333 0.5,334 0.67,335 1,336 0.61,337 81,338 588,339 4.651,340 3.372,341 6.833,342 4.214,343 3.235,344 4.582,345 0.4,346 11.364,347 3.168,348 4.651,349 3.372,350 6.833,351 4.214,352 3.235,353 4.582,354 0.4,355 11.364,356 3.167,357 3.99,358 2.926,359 6.004,360 3.59,361 2.61,362 3.534,364 8.477,365 2.557,366 3.99,367 2.926,368 6.004,369 3.59,370 2.61,371 3.534,373 8.477,374 2.557,375 3.584,376 2.558,377 5.427,378 3.209,379 2.255,380 2.961,382 6.886,383 2.142,384 3.583,385 2.557,386 5.427,387 3.203,388 2.25,389 2.961,391 6.886,392 2.136,393 3.366,394 2.271,395 4.899,396 2.931,397 1.99,398 2.699,400 5.573,401 1.868,402 3.365,403 2.265,404 4.899,405 2.916,406 1.98,407 2.699,409 5.573,410 1.838,411 2.883,412 1.909,413 4.121,414 2.824,415 1.838,416 1.898,418 3.813,419 1.801,420 2.703,421 1.734,422 4.121,423 2.5,424 1.53,425 1.757,427 3.46,428 1.482,429 2.647,430 1.532,431 3.997,432 2.434,433 1.442,434 1.689,436 3.39,437 1.428,438 2.505,439 1.435,440 3.94,441 2.407,442 1.414,443 1.506,445 3.317,446 1.402,447 2.49,448 1.434,449 3.758,450 2.25,451 1.257,452 1.489,454 3.125,455 1.247,456 2.47,457 1.421,458 3.612,459 2.249,460 1.256,461 1.469,463 2.987,464 1.246,465 2.181,466 1.284,467 3.572,468 2.098,469 1.135,470 1.17,472 2.639,473 1.089,474 18.171,475 0.478,476 0.76,477 0.02,478 45,479 1.184,480 21,481 0.553,482 24,483 0.632,484 41.13,485 1.082,486 41.229,487 0.557,488 32.079,489 0.844,490 7.747,491 0.204,492 10.923,493 0.287,494 0.031,496 0.33,499 2,501 0.604,502 1.053,503 0.821,504 1.042,505 0.497,506 0.979,507 0.634,508 1.104,509 0.887,510 1.117,511 0.484,512 1.056,513 0.878,514 0.986,515 0.86,516 0.909,517 0.768,518 0.882,519 0.776,520 0.865,521 0.984,522 0.946,523 0.614,524 0.978,525 0.711,526 0.889,527 1.068,528 1.048,529 0.512,530 1.09,531 0.541,532 0.926,533 1.05,534 1.176,535 0.539,536 1.192,537 0.909,538 0.971,539 1.03,540 1.063,541 0.995,542 1.071,543 1.354,544 1.004,545 1.092,546 0.958,547 1.496,548 0.985,549 5.5,550 0.091,551 3.778,552 2.625,553 2.542,554 0.986,555 0.803,556 0.385,557 0.262,558 0.154,559 28123,560 63805,561 2.192,562 48.6,563 16,564 10,567 2,568 4,569 4,572 1.781,573 2.111,574 3.783,575 0.071,582 103.382,583 1.397,584 3.242,585 4.108,586 4.723,587 4.831,588 4.831,589 3.005,590 4.248,591 5.231,592 4.041,593 2840.94,594 9.166,595 51524,600 459.5,601 1.167,602 5.205,603 0.128,604 0.003,605 0.063,606 0.04,607 0.042,608 0.018,609 0.017,610 0.01,611 0.008,612 0.005,613 0.335,614 0.33,615 0.63,616 0.362,617 215.75,618 -0.017,619 -0.017,620 0.052,621 0.039,622 0.012,623 0.053,624 0.008,625 -0.141,626 0.02,627 -0.083,628 0.08,629 -0.042,630 -0.022,631 -0.045,632 0.109,633 0.064,634 0.009,635 0.099,636 0.051,637 0.06,638 -0.019,640 0.047,641 -0.017,642 -0.075,643 -0.02,644 -0.136,645 -0.077,646 -0.03,647 -0.104,648 0.076,649 -0.076,650 -0.118,651 -0.178,652 0.034,653 -0.18,654 -0.011,655 -0.06,656 -0.044,657 -0.074,658 -0.046,659 -0.068,660 -0.106,661 0.029,662 -0.054,663 0.027,664 -0.123,665 0.001,666 1.896,667 5.855,668 0.737,669 38.271,670 0.993,671 1.132,672 5.32,673 28.304,674 0.66,675 3.784,676 4.111,677 4.431,678 4.762,679 5.075,680 5.187,681 5.318,682 5.442,683 5.489,684 5.342,685 9.386,686 0.619,687 514.72,688 3.784,689 5.333,690 6.201,691 7.093,692 7.982,693 8.885,694 9.785,695 10.692,696 11.596,697 12.506,698 5.4,703 2,708 2,714 4,715 6,716 2,720 8,722 22,734 2,740 2,741 74,743 22,744 2,745 43,747 79,748 32,749 18,750 6,751 6,756 6,757 12,767 8,770 12,772 18,773 14,791 2,793 36,794 6,795 2,796 6,802 4,808 0.333,822 2,829 6,833 4,859 2,866 2,868 38,876 14,877 2,892 2,901 18,902 13.186,903 8.306,904 5.285,907 4.683,908 1.518,909 1.036,910 7.629,911 13.716,912 4.007,913 4.644,914 5.298,915 5.96,916 6.606,917 6.988,918 7.362,919 7.736,920 8.014,921 7.862,922 0.9,923 65,924 14.212,926 6.209,927 0.026,929 7.605,931 28.095,933 24.394,936 2.105,937 80,941 400.217,942 136.558,943 69.593,946 29.92,948 136.558,949 400.217,950 99.513,952 34.626,953 56.857,954 69.593,955 45.074,956 29.92,957 400.217,959 400.217,960 206.15,961 29.92,964 383.053,965 47.084,968 44.428,969 92.13,970 69.593,972 430.138,973 69.593,974 136.558,977 400.217,978 79.7,979 56.857,980 36.022,981 63.491,982 400.217,983 99.513,984 136.558,986 0.575,987 0.339,988 0.2,989 0.12,990 30,991 12,992 0.114,993 9,994 4,995 1.286,996 4.984,997 374.931,998 0.286,999 28,1000 161.421,1005 25.349,1006 11.437,1007 5.469,1008 3.577,1009 99.513,1010 9.936,1011 9.562,1015 6.794,1017 36.022,1018 636.288,1019 54,1031 73.454,1032 83.731,1034 0.225,1035 0.522,1036 0.662,1037 0.761,1038 0.778,1039 0.778,1040 5.255,1041 1.98,1042 6.172,1043 5.573,1044 4.796,1045 5.333,1046 0.495,1047 7.004,1048 4.739,1049 6.456,1050 1.838,1051 7.732,1052 5.573,1053 4.29,1054 5.247,1056 7.941,1057 4.187,1058 7.775,1059 1.53,1060 9.4,1061 3.813,1062 6.392,1063 7.626,1064 0.097,1065 11.109,1066 6.288,1067 9.137,1068 1.442,1069 11.134,1070 3.46,1071 6.758,1072 8.41,1074 12.925,1075 6.619,1076 10.538,1077 1.414,1078 12.913,1079 3.39,1080 8.293,1081 10.266,1082 0.016,1083 15.606,1084 8.15,1085 11.965,1086 1.257,1087 14.723,1088 3.317,1089 9.088,1090 11.445,1092 17.779,1093 8.919,1094 13.414,1095 1.256,1096 16.555,1097 3.125,1098 10.392,1099 13.098,1100 0.003,1101 20.296,1102 10.212,1103 3.235,1104 1.135,1105 18.403,1106 2.987,1107 11.393,1108 14.462,1110 22.616,1111 11.19,1112 3.235,1113 11.364,1114 20.264,1115 2.639,1116 12.606,1117 16.033,1119 25.076,1120 12.389,1121 2.61,1122 11.364,1123 22.136,1124 4.582,1125 13.7,1126 17.482,1128 27.458,1129 13.462,1130 2.61,1131 8.477,1132 24.015,1133 4.582,1134 14.881,1135 19.022,1137 29.898,1138 14.625,1139 2.255,1140 8.477,1141 25.901,1142 3.534,1143 16.018,1144 20.51,1146 32.307,1147 15.74,1148 2.25,1149 6.886,1150 27.792,1151 3.534,1152 17.189,1153 22.037,1155 34.74,1156 16.893,1157 1.99,1158 6.886,1159 29.687,1160 2.961,1161 18.344,1162 23.543,1164 37.16,1165 18.027,1166 25400,1167 38488,1168 29.819,1169 48.842,1170 63.524,1171 64.764,1172 65.302,1173 63.831,1174 63.658,1175 81.043,1176 1.6,1177 183.022,1178 61.73,1179 5.612,1180 5.372,1181 6.72,1182 5.256,1183 5.235,1184 7.582,1185 0.8,1186 18.902,1187 5.168,1188 12.564,1189 1.477,1190 1.506,1191 1.519,1192 1.484,1193 1.48,1194 1.885,1195 0.037,1196 4.256,1197 1.436,1198 4.139,1199 4.17,1200 4.102,1201 4.061,1202 8.203,1203 4.067,1204 4.092,1205 4.12,1206 4.06,1207 4.018,1208 8.2,1209 4.025,1210 3.754,1211 3.817,1212 3.647,1213 3.654,1214 4.95,1215 3.644,1216 3.739,1217 3.786,1218 3.64,1219 3.649,1220 4.916,1221 3.639,1222 3.734,1223 3.785,1224 3.581,1225 3.613,1226 4.312,1227 3.595,1228 3.517,1229 3.599,1230 3.369,1231 3.333,1232 4.305,1233 3.329,1234 3.326,1235 3.392,1236 3.221,1237 3.177,1238 4.28,1239 3.178,1240 3.231,1241 3.288,1242 3.119,1243 3.097,1244 4.207,1245 3.091,1246 0.108,1247 0.078,1248 0.159,1249 0.098,1250 0.075,1251 4.651,1252 0.107,1253 3.372,1254 0.009,1255 6.833,1256 0.264,1257 4.214,1258 0.074,1259 3.235,1260 4.582,1261 0.4,1262 11.364,1263 3.168,1264 2.07,1265 2.045,1266 2.153,1267 2.164,1268 1.438,1269 2.162,1270 2.069,1271 2.044,1272 2.15,1273 2.162,1274 1.434,1275 2.159,1276 1.759,1277 1.707,1278 2.009,1279 1.928,1280 1.362,1281 1.959,1282 1.749,1283 1.706,1284 1.932,1285 1.874,1286 1.155,1287 1.897,1288 1.749,1289 1.693,1290 1.93,1291 1.873,1292 1.137,1293 1.895,1294 1.503,1295 1.427,1296 1.77,1297 1.727,1298 1.049,1299 1.745,1300 1.293,1301 1.238,1302 1.511,1303 1.499,1304 0.762,1305 1.507,1306 1.216,1307 1.165,1308 1.458,1309 1.383,1310 0.753,1311 1.395,1312 4.466,1314 5.79,1316 7.327,1318 8.976,1320 10.688,1324 27.71,1328 15.03,1329 7.39,1340 45.808,1341 103.382,1342 239.874,1343 303.99,1344 349.5,1345 357.5,1346 357.5,1347 68.054,1348 9.033,1349 49.84,1350 49.84,1351 36,1352 13.022,1353 4.524,1354 3.585,1355 53.575,1356 227,1357 160,1358 0.113,1359 273.665,1360 474.14,1361 659.502,1362 158415,1363 2.7,1364 25.899,1365 0.682,1366 0.579,1367 24.158,1368 22.014,1369 18.67,1370 0.434,1371 0.334,1372 14.249,1373 18.175,1374 14.02,1375 11.541,1376 17.882,1377 14.37,1378 16.599,1379 0.277,1380 0.18,1381 15.331,1382 10.829,1383 14.278,1384 0.172,1385 0.098,1386 13.607,1387 8.157,1388 12.635,1389 0.109,1390 0.054,1391 12.107,1392 6.232,1393 11.09,1394 0.07,1395 0.03,1396 10.657,1397 4.801,1398 0.187,1399 115.476,1400 0.183,1401 35.133,1402 0.289,1403 206,1404 570.178,1405 221.211,1406 511.169,1407 707.78,1408 482,1409 246,1410 529.681,1411 260.48,1412 526.248,1413 781.66,1414 502,1415 9.046}
{0 CHEMBL74950,1 1.511,2 11.704,3 3.911,4 15.293,5 104.637,6 7.067,7 0.4,8 4.054,9 4.173,10 3.587,11 3.545,12 5.105,13 3.531,14 4.627,15 4.811,16 3.995,17 3.974,18 5.65,19 3.946,20 4.852,21 5.027,22 4.073,23 4.18,24 5.812,25 4.115,26 5.059,27 5.304,28 3.968,29 4.217,30 5.962,31 4.102,32 5.006,33 5.254,34 3.774,35 4.082,36 5.955,37 3.933,38 4.882,39 5.184,40 3.561,41 3.796,42 5.715,43 3.661,44 4.401,45 4.603,46 3.554,47 3.568,48 5.537,49 3.51,50 4.396,51 4.604,52 3.464,53 3.535,54 5.541,55 3.48,56 0.01,57 0.757,58 11.587,59 4.769,60 8.77,61 6.443,62 0.436,63 1.241,64 22.717,65 7.753,66 36.973,67 10.893,68 0.186,69 1.546,70 27.752,71 10.413,72 28.154,73 14.424,74 0.347,75 1.744,76 36.288,77 12.219,78 44.262,79 17.861,80 0.37,81 1.528,82 34.9,83 12.474,84 55.642,85 17.735,86 0.508,87 1.208,88 33.138,89 10.29,90 53.623,91 14.984,92 0.463,93 0.871,94 18.956,95 6.227,96 39.88,97 8.619,98 0.356,99 0.861,100 19.038,101 5.831,102 43.941,103 7.998,104 27,105 45,106 0.254,107 0.587,108 0.769,109 0.839,110 0.857,111 0.857,112 3.34,113 0.913,114 -4.03,115 -3.98,116 -3.77,121 40.4,122 1,123 1,125 1,126 3,127 1,130 1,144 7,145 1,146 4,161 1,176 7,179 2,180 9,183 2,185 2,187 8,192 10,197 2,200 7,206 9,211 2,214 3,218 1,219 9,222 1,224 2,227 2,231 1,232 1,237 1,239 4,243 3,244 2,247 1,249 2,251 8,255 1,259 1,264 6,269 4,277 6,281 1068,282 18.004,283 18.004,284 18.004,285 18.004,286 18.004,287 16.465,288 29.11,289 10.171,290 18.547,291 14.693,292 14.693,293 14.693,294 14.693,295 14.693,296 12.242,297 41.14,298 4.722,299 15.468,300 4.189,301 2.207,302 1.119,303 0.702,304 0.597,305 0.597,306 4.031,310 1,311 1,312 1,313 693,314 3.606,317 108.51,318 149.236,320 87.534,321 92.841,324 129.796,325 1.737,326 21.091,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 58.5,338 316,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 4.075,349 3.675,350 6.211,351 3.691,352 2.74,353 3.649,354 0.966,355 8.83,356 2.603,357 3.963,358 2.869,359 6.169,360 3.596,361 2.632,362 3.316,363 0.86,364 8.459,365 2.537,366 3.694,367 2.818,368 5.591,369 3.39,370 2.451,371 2.94,372 0.693,373 7.661,374 2.286,375 3.516,376 2.742,377 5.394,378 3.307,379 2.374,380 2.744,381 0.366,382 7.042,383 2.203,384 3.394,385 2.521,386 5.156,387 3.103,388 2.169,389 2.498,391 6.39,392 2.018,393 3.207,394 2.376,395 4.785,396 2.784,397 1.812,398 2.364,400 4.964,401 1.74,402 2.616,403 1.746,404 4.571,405 2.412,406 1.463,407 1.63,409 4.321,410 1.382,411 2.518,412 1.171,413 4.213,414 2.128,415 1.133,416 1.522,418 3.06,419 1.126,420 2.5,421 1.161,422 3.723,423 2,424 1,425 1.5,427 2.275,428 1,429 1.787,430 1,431 3.414,432 1.695,433 0.731,434 0.763,436 1.826,437 0.703,438 1.738,439 0.932,440 3.089,441 1.455,442 0.583,443 0.648,445 0.986,446 0.503,447 1.242,448 0.741,449 3.045,450 0.95,451 0.047,452 0.053,454 0.112,455 0.042,456 1.135,457 0.418,458 2.732,459 0.752,460 -0.216,461 -0.255,463 -0.471,464 -0.205,465 0.762,466 -0.016,467 2.576,468 0.637,469 -0.307,470 -0.335,472 -0.749,473 -0.288,474 12.7,475 0.47,476 0.839,477 0.031,478 33.75,479 1.25,480 15.5,481 0.574,482 18.25,483 0.676,484 23.753,485 0.88,486 29.9,487 0.575,488 25.353,489 0.939,490 6.633,491 0.246,492 6.286,493 0.233,494 0.184,495 0.039,496 0.339,501 0.835,502 1.492,503 0.814,504 1.223,505 0.645,506 1.042,507 0.902,508 0.852,509 0.805,510 0.741,511 0.479,512 0.74,513 1.021,514 1.365,515 1.081,516 1.235,517 0.754,518 1.177,519 0.919,520 1.025,521 1.071,522 1.056,523 0.68,524 1.066,525 0.868,526 1.156,527 1.078,528 1.25,529 1.215,530 1.214,531 1.138,532 0.651,533 0.744,534 0.644,535 1.184,536 0.643,537 1.047,538 0.996,539 0.963,540 0.98,541 1.278,542 0.966,543 1.643,544 0.883,545 1.155,546 0.882,547 2.606,548 0.931,549 7,550 0.142,551 4,552 3.521,553 1.628,554 0.882,555 0.612,556 0.325,557 0.324,558 0.222,559 9181,560 21629,561 2.066,562 48.1,563 3,564 18,565 1,567 1,569 2,572 1.697,573 1.895,574 3.443,575 -0.346,577 1,582 78.578,583 1.511,584 3.493,585 4.582,586 4.998,587 5.104,588 5.104,589 2.936,590 4.357,591 4.725,592 3.628,593 1273.47,594 8.181,595 16296.4,597 1,599 1,600 296.423,601 1.675,602 4.66,603 0.233,604 0.007,605 0.089,606 0.075,607 0.041,608 0.029,609 0.024,610 0.012,611 0.013,612 0.01,613 0.534,614 0.5,615 1,616 0.803,617 134.305,618 -0.019,619 -0.264,620 0.078,621 -0.12,622 -0.044,623 -0.023,624 0.147,625 0.298,626 0.162,627 0.258,628 0.216,629 0.223,630 -0.118,631 -0.249,632 -0.151,633 -0.191,634 -0.034,635 -0.181,636 -0.097,637 0.004,638 -0.11,639 -0.086,640 0.053,641 -0.089,642 0.047,643 -0.224,644 -0.107,645 -0.256,646 -0.032,647 -0.217,648 0.01,649 0.16,650 0.301,651 0.281,652 -0.015,653 0.328,654 0.298,655 0.013,656 0.053,657 -0.006,658 0.17,659 -0.016,660 -0.166,661 0.14,662 -0.117,663 0.058,664 -0.244,665 -0.011,666 2.17,667 5.277,668 0.667,669 24.247,670 1,671 1.129,672 2.798,673 7.827,674 0.649,675 3.434,676 3.829,677 4.159,678 4.489,679 4.691,680 4.771,681 4.942,682 4.997,683 4.99,684 5.056,685 6.652,686 0.615,687 367.49,688 3.434,689 5.017,690 5.905,691 6.832,692 7.743,693 8.679,694 9.604,695 10.547,696 11.481,697 12.429,698 5.8,701 1,704 1,705 1,715 7,720 5,722 12,736 1,737 1,739 1,741 52,743 13,744 2,745 30,747 55,748 21,749 12,750 5,751 7,756 4,757 7,763 1,764 1,766 1,767 1,770 1,772 13,773 8,777 1,782 1,786 1,790 1,793 25,794 6,795 1,796 6,802 3,808 0.5,809 3,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 4,868 27,876 2,877 1,878 2,880 1,881 2,882 1,893 5.8,896 1,898 2,901 14.25,902 10.567,903 5.819,904 2.975,907 2.172,908 1.281,909 0.957,910 4.622,911 9.903,912 3.638,913 4.22,914 4.749,915 5.3,916 5.792,917 5.964,918 6.294,919 6.523,920 6.621,921 6.839,922 0.875,923 47,924 9.989,926 4.268,927 0.026,929 7.651,931 19.313,933 16.221,936 2.151,937 58.083,939 1,940 1,941 282.506,942 133.423,943 24.259,945 47.145,948 133.423,949 329.651,950 24.259,951 36.501,952 22.651,953 66.334,954 25.145,955 47.434,956 18.534,957 270.735,959 282.506,960 157.683,961 47.145,964 258.964,965 70.687,968 34.601,969 123.082,972 282.506,973 71.404,974 133.423,977 282.506,978 30.589,979 109.083,980 18.011,981 47.145,982 282.506,983 71.404,984 133.423,986 0.598,987 0.363,988 0.201,989 0.105,990 24,991 11,992 0.073,993 4,994 2,995 1.222,996 3.831,997 238.847,998 0.222,999 18,1000 124.382,1005 18.293,1006 6.823,1007 3.098,1009 71.404,1010 13.043,1015 4.405,1017 18.011,1018 487.334,1019 37,1024 12.277,1028 -0.503,1031 52.007,1032 58.69,1034 0.265,1035 0.613,1036 0.804,1037 0.877,1038 0.895,1039 0.895,1040 4.934,1041 1.463,1042 5.953,1043 4.964,1044 4.511,1045 4.905,1046 2.584,1047 6.889,1048 4.419,1049 6.156,1050 1.133,1051 7.597,1052 4.321,1053 4.369,1054 4.808,1055 1.905,1056 8.25,1057 4.251,1058 7.495,1059 1,1060 9.359,1061 3.06,1062 6.26,1063 7.032,1064 3.563,1065 11.413,1066 6.101,1067 8.869,1068 0.731,1069 11.196,1070 2.275,1071 6.948,1072 7.683,1073 3.612,1074 13.694,1075 6.779,1076 10.279,1077 0.583,1078 13.089,1079 1.826,1080 8.395,1081 9.457,1082 4.919,1083 16.519,1084 8.201,1085 11.715,1086 0.047,1087 15.025,1088 0.986,1089 9.451,1090 10.458,1091 5.293,1092 19.118,1093 9.252,1094 13.174,1095 -0.216,1096 16.993,1097 0.112,1098 10.776,1099 12.05,1100 6.389,1101 21.869,1102 10.559,1103 3.737,1104 -0.307,1105 18.988,1106 -0.471,1107 11.989,1108 13.238,1109 6.931,1110 24.562,1111 11.762,1112 2.74,1113 15.306,1114 21.003,1115 -0.749,1116 13.292,1117 14.744,1118 7.902,1119 27.295,1120 13.049,1121 2.632,1122 8.83,1123 23.034,1124 4.206,1125 14.567,1126 16.035,1127 8.539,1128 30.013,1129 14.309,1130 2.451,1131 8.459,1132 25.077,1133 3.649,1134 15.872,1135 17.499,1136 9.436,1137 32.743,1138 15.596,1139 2.374,1140 7.661,1141 27.129,1142 3.316,1143 17.171,1144 18.85,1145 10.13,1146 35.468,1147 16.878,1148 2.169,1149 7.042,1150 29.188,1151 2.94,1152 18.481,1153 20.294,1154 10.981,1155 38.197,1156 18.169,1157 1.812,1158 6.39,1159 31.252,1160 2.744,1161 19.791,1162 21.679,1163 11.71,1164 40.924,1165 19.459,1166 8752,1167 13584,1168 19.592,1169 33.756,1170 46.096,1171 47.211,1172 48.733,1173 45.67,1174 45.746,1175 55.661,1176 10.142,1177 142.464,1178 43.596,1179 5.797,1180 5.973,1181 7.558,1182 5.806,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 14.922,1189 1.537,1190 1.574,1191 1.624,1192 1.522,1193 1.525,1194 1.855,1195 0.338,1196 4.749,1197 1.453,1198 4.092,1199 4.13,1200 4.04,1201 3.996,1202 7.435,1203 4.002,1204 3.912,1205 3.939,1206 3.856,1207 3.823,1208 4.886,1209 3.826,1210 3.7,1211 3.741,1212 3.617,1213 3.563,1214 4.819,1215 3.566,1216 3.419,1217 3.453,1218 3.358,1219 3.123,1220 4.463,1221 3.173,1222 3.285,1223 3.373,1224 3.12,1225 3.049,1226 4.388,1227 3.051,1228 3.247,1229 3.336,1230 3.051,1231 3.026,1232 4.126,1233 3.023,1234 3.174,1235 3.237,1236 2.996,1237 2.883,1238 3.907,1239 2.902,1240 2.976,1241 3.093,1242 2.687,1243 2.761,1244 3.865,1245 2.726,1246 0.161,1247 0.132,1248 0.267,1249 0.157,1250 0.125,1251 4.832,1252 0.14,1253 3.973,1254 0.073,1255 8.006,1256 0.51,1257 4.714,1258 0.122,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.906,1265 1.887,1266 2.006,1267 2.013,1268 1.31,1269 2.007,1270 1.876,1271 1.852,1272 1.984,1273 1.973,1274 1.063,1275 1.978,1276 1.633,1277 1.577,1278 1.832,1279 1.836,1280 1.057,1281 1.837,1282 1.534,1283 1.453,1284 1.787,1285 1.754,1286 1.012,1287 1.774,1288 1.27,1289 1.226,1290 1.582,1291 1.597,1292 0.644,1293 1.571,1294 1.211,1295 1.125,1296 1.572,1297 1.496,1298 0.576,1299 1.524,1300 1.088,1301 1.025,1302 1.453,1303 1.405,1304 0.563,1305 1.389,1306 1.014,1307 0.899,1308 1.269,1309 1.291,1310 0.347,1311 1.353,1312 4.111,1314 5.485,1315 3.045,1316 7.055,1317 5.638,1318 8.721,1319 7.921,1320 10.445,1322 8.2,1328 2.154,1329 2.746,1330 10.663,1332 0.343,1333 4.709,1334 0.046,1340 32.003,1341 78.578,1342 181.633,1343 238.242,1344 259.894,1345 265.403,1346 265.403,1347 40.68,1348 7.731,1349 54.04,1350 54.04,1351 22,1352 12.923,1353 3.807,1354 3,1355 40.502,1356 108,1357 127,1358 0.185,1359 194.516,1360 341.51,1361 466.379,1362 24201,1364 19.181,1365 0.71,1366 0.598,1367 19.181,1368 16.152,1369 12.919,1370 0.431,1371 0.304,1372 8.962,1373 12.307,1374 8.603,1375 7.177,1376 12.919,1377 9.127,1378 12.228,1379 0.272,1380 0.168,1381 12.228,1382 7.555,1383 10.629,1384 0.169,1385 0.093,1386 10.629,1387 5.848,1388 9.345,1389 0.106,1390 0.052,1391 9.345,1392 4.543,1393 7.231,1394 0.067,1395 0.028,1396 7.231,1397 2.993,1398 0.293,1399 81.712,1400 0.226,1401 25.977,1402 0.498,1403 150,1404 414.83,1405 166.237,1406 393.852,1407 544.99,1408 370,1409 183,1410 409.638,1411 199.3,1412 416.088,1413 612.11,1414 387,1415 6.547}
{0 CHEMBL74962,1 1.239,2 15.457,3 7.214,4 52.048,5 147.527,6 6.393,7 0.462,8 4.345,9 4.476,10 3.796,11 3.945,12 5.258,13 3.877,14 4.938,15 5.133,16 4.12,17 4.368,18 5.761,19 4.266,20 5.285,21 5.524,22 4.221,23 4.572,24 6.057,25 4.428,26 5.393,27 5.667,28 4.11,29 4.564,30 6.115,31 4.386,32 5.339,33 5.617,34 4.116,35 4.531,36 6.07,37 4.361,38 5.28,39 5.536,40 4.113,41 4.513,42 6.082,43 4.355,44 5.253,45 5.495,46 4.041,47 4.477,48 6.122,49 4.312,50 5.219,51 5.497,52 3.863,53 4.372,54 5.964,55 4.176,56 0.075,57 0.986,58 17.118,59 7.451,60 9.862,61 10.498,62 0.198,63 1.726,64 31.527,65 12.592,66 19.052,67 18.153,68 0.281,69 2.308,70 44.701,71 18.009,72 36.031,73 25.858,74 0.351,75 2.481,76 50.043,77 19.719,78 43.235,79 28.43,80 0.355,81 2.329,82 47.237,83 19.148,84 38.94,85 27.471,86 0.299,87 2.191,88 44.522,89 18.308,90 39.191,91 25.838,92 0.385,93 2.106,94 43.686,95 17.842,96 54.493,97 24.834,98 0.261,99 2.022,100 41.736,101 17.314,102 42.893,103 24.585,104 2,105 52,106 0.192,107 0.456,108 0.65,109 0.788,110 0.816,111 0.833,112 3.588,113 1.035,114 -6.64,115 -6.46,116 -5.99,121 43.8,123 7,124 1,127 5,144 13,145 4,146 1,159 1,176 23,180 9,187 24,192 12,200 17,206 8,214 14,218 1,219 7,227 24,232 2,239 29,243 1,244 5,251 27,256 6,264 19,269 4,277 14,281 2451,282 24.361,283 24.361,284 24.361,285 24.361,286 24.361,287 22.067,288 27.482,289 14.853,290 24.536,291 19.325,292 19.325,293 19.325,294 19.325,295 19.325,296 15.915,297 32.846,298 7.161,299 19.604,300 4.951,301 3.252,302 1.999,303 1.111,304 0.932,305 0.822,306 4.302,312 1,313 1198,314 3.317,318 450.426,319 119.735,323 182.175,325 2.387,326 18.346,329 0.75,330 0.67,331 0.83,332 0.9,333 0.5,334 0.83,335 1,336 0.78,337 72,338 541,339 4.395,340 3.609,341 6.547,342 4.064,343 3.088,344 4.013,345 1.277,346 10.375,347 3.026,348 3.983,349 3.278,350 5.979,351 3.728,352 2.743,353 3.457,354 0.916,355 8.417,356 2.718,357 3.94,358 3.017,359 5.616,360 3.664,361 2.679,362 3.456,363 0.916,364 7.785,365 2.618,366 3.863,367 2.743,368 5.462,369 3.498,370 2.499,371 3.263,372 0.172,373 7.239,374 2.494,375 3.596,376 2.557,377 5.329,378 3.443,379 2.442,380 2.635,381 0.172,382 6.937,383 2.443,384 3.266,385 2.297,386 5.058,387 3.034,388 2.078,389 2.412,391 5.904,392 1.977,393 3.176,394 2.225,395 4.955,396 3.002,397 2.037,398 2.249,400 5.865,401 1.956,402 2.892,403 1.98,404 4.265,405 2.648,406 1.646,407 2.032,409 4.006,410 1.648,411 2.875,412 1.585,413 4.042,414 2.443,415 1.445,416 1.977,418 3.443,419 1.441,420 2.808,421 1.54,422 3.631,423 2.435,424 1.436,425 1.869,427 3.097,428 1.434,429 2.645,430 1.52,431 3.592,432 2.379,433 1.371,434 1.659,436 3.038,437 1.378,438 2.5,439 1.091,440 3.486,441 2,442 1.012,443 1.5,445 2.492,446 1,447 2.5,448 1.077,449 3.414,450 2,451 1,452 1.5,454 2.275,455 1,456 2.33,457 1.064,458 3.247,459 1.998,460 1,461 1.292,463 2.136,464 0.997,465 2,466 1,467 3.247,468 1.984,469 1,470 1,472 2.136,473 0.983,474 17.133,475 0.49,476 0.602,477 0.017,478 41.25,479 1.179,480 20,481 0.571,482 21.25,483 0.607,484 35.773,485 1.022,486 37.467,487 0.513,488 29.276,489 0.836,490 7.565,491 0.216,492 9.677,493 0.276,494 0.019,496 0.251,501 0.718,502 1.25,503 0.935,504 1.095,505 0.54,506 1.038,507 1.104,508 1.134,509 1.085,510 1.061,511 0.618,512 1.06,513 1.064,514 1.137,515 1.057,516 1.082,517 0.873,518 1.068,519 1.202,520 1.034,521 1.055,522 1.016,523 1.093,524 1.023,525 0.912,526 0.91,527 0.918,528 0.92,529 0.964,530 0.918,531 1.244,532 0.952,533 1.004,534 0.99,535 1.496,536 0.986,537 1.681,538 1.039,539 1.168,540 1.088,541 2.306,542 1.107,543 1.021,544 1.042,545 1.016,546 1.056,547 1.237,548 1.044,549 5.5,550 0.139,551 2.889,552 1.438,553 1.513,554 0.986,555 0.541,556 0.441,557 0.311,558 0.158,559 21584,560 40360,561 2.176,562 52.1,563 7,564 23,568 2,569 6,572 1.763,573 2.121,574 3.879,575 -0.907,582 90.436,583 1.239,584 2.937,585 4.19,586 5.079,587 5.258,588 5.368,589 3.372,590 4.593,591 5.098,592 4.069,593 2420.94,594 8.928,595 39846.7,600 451.857,601 0.997,602 5.096,603 0.141,604 0.004,605 0.056,606 0.026,607 0.032,608 0.02,609 0.011,610 0.01,611 0.009,612 0.005,613 0.314,614 0.5,615 0.63,616 0.293,617 193.198,618 0.058,619 -0.095,620 0.07,621 -0.007,622 0.044,623 0.024,624 -0.084,625 -0.01,626 -0.072,627 -0.045,628 0.005,629 -0.053,630 -0.03,631 -0.102,632 -0.059,633 -0.087,634 0.017,635 -0.076,636 -0.066,637 -0.041,638 -0.059,639 -0.048,640 -0.04,641 -0.052,642 0.087,643 0.066,644 0.068,645 0.058,646 0.019,647 0.062,648 -0.041,649 0.027,650 -0.007,651 0.005,652 -0.08,653 0.003,654 -0.081,655 -0.068,656 -0.152,657 -0.09,658 -0.194,659 -0.122,660 -0.007,661 -0.097,662 -0.036,663 -0.07,664 -0.025,665 -0.058,666 1.358,667 6.201,668 0.829,669 45.52,670 0.979,671 1.119,672 5.407,673 29.231,674 0.66,675 3.689,676 3.97,677 4.22,678 4.454,679 4.718,680 4.771,681 4.875,682 4.997,683 5.1,684 5.187,685 8.838,686 0.606,687 466.72,688 3.689,689 5.209,690 6.043,691 6.895,692 7.743,693 8.601,694 9.456,695 10.318,696 11.177,697 12.042,698 2.7,701 1,704 1,715 13,720 5,722 18,727 1,736 1,741 73,743 19,744 3,745 39,747 77,748 32,749 18,750 5,751 13,752 1,756 5,757 6,767 5,768 1,770 7,772 19,773 13,774 1,777 1,782 1,786 1,793 38,794 3,796 3,802 2,808 0.8,809 1,829 4,830 1,834 1,855 1,859 4,868 35,876 12,880 1,881 2,893 1.4,896 1,901 16.5,902 12.733,903 7.75,904 4.883,907 2.895,908 1.346,909 0.996,910 8.081,911 11.263,912 3.912,913 4.413,914 4.903,915 5.378,916 5.883,917 5.929,918 6.195,919 6.429,920 6.696,921 6.966,922 1,923 55,924 13.061,926 5.515,927 0.026,929 7.395,931 26.296,933 22.46,936 1.895,937 66.333,941 447.302,942 172.094,943 6.249,945 25.145,948 172.094,949 472.447,950 6.249,952 28.27,953 123.191,954 30.278,955 21.748,957 447.302,959 447.302,960 178.343,961 25.145,964 376.675,965 95.772,968 31.395,969 146.948,972 447.302,973 31.394,974 172.094,977 447.302,978 48.903,979 129.44,981 25.145,982 447.302,983 31.394,984 172.094,986 0.569,987 0.326,988 0.176,989 0.102,990 24,991 9,992 0.104,993 8,994 1,995 1.069,996 4.791,997 322.82,998 0.069,999 29,1000 167.525,1005 23.976,1006 11.796,1007 6.481,1009 31.394,1010 27.932,1015 6.277,1018 650.789,1019 49,1024 13.201,1028 0.309,1031 71.436,1032 81.68,1034 0.2,1035 0.475,1036 0.677,1037 0.82,1038 0.85,1039 0.867,1040 5.133,1041 1.646,1042 5.984,1043 5.865,1044 4.654,1045 5.1,1046 1.984,1047 6.725,1048 4.626,1049 6.274,1050 1.445,1051 7.491,1052 4.006,1053 4.007,1054 4.59,1055 0.57,1056 7.455,1057 3.958,1058 7.533,1059 1.436,1060 9.096,1061 3.443,1062 6.176,1063 7.123,1064 2.109,1065 10.548,1066 6.115,1067 8.821,1068 1.371,1069 10.762,1070 3.097,1071 6.382,1072 7.453,1073 0.674,1074 12.15,1075 6.301,1076 10.143,1077 1.012,1078 12.469,1079 3.038,1080 7.954,1081 9.437,1082 2.407,1083 14.727,1084 7.861,1085 11.488,1086 1,1087 14.205,1088 2.492,1089 8.582,1090 10.188,1091 0.66,1092 16.714,1093 8.468,1094 12.852,1095 1,1096 15.962,1097 2.275,1098 9.885,1099 11.909,1100 2.79,1101 19.114,1102 9.758,1103 3.088,1104 1,1105 17.736,1106 2.136,1107 10.736,1108 12.897,1109 0.611,1110 21.283,1111 10.587,1112 2.743,1113 10.375,1114 19.522,1115 2.136,1116 11.916,1117 14.472,1118 3.22,1119 23.627,1120 11.75,1121 2.679,1122 8.417,1123 21.32,1124 4.013,1125 12.885,1126 15.605,1127 0.55,1128 25.882,1129 12.697,1130 2.499,1131 7.785,1132 23.127,1133 3.457,1134 14.011,1135 17.095,1136 3.677,1137 28.211,1138 13.805,1139 2.442,1140 7.239,1141 24.943,1142 3.456,1143 15.043,1144 18.32,1145 0.487,1146 30.507,1147 14.814,1148 2.078,1149 6.937,1150 26.765,1151 3.263,1152 16.15,1153 19.761,1154 4.147,1155 32.835,1156 15.901,1157 2.037,1158 5.904,1159 28.594,1160 2.635,1161 17.217,1162 21.044,1163 0.427,1164 35.151,1165 16.944,1166 19845,1167 27243,1168 27.216,1169 48.171,1170 57.317,1171 58.057,1172 57.371,1173 56.952,1174 56.92,1175 70.798,1176 6.91,1177 154.945,1178 56.193,1179 5.395,1180 5.609,1181 6.349,1182 5.099,1183 5.088,1184 7.013,1185 2.555,1186 17.183,1187 5.026,1188 7.684,1189 1.47,1190 1.489,1191 1.471,1192 1.46,1193 1.459,1194 1.815,1195 0.177,1196 3.973,1197 1.441,1198 4.049,1199 4.086,1200 3.983,1201 3.967,1202 7.427,1203 3.966,1204 3.943,1205 3.988,1206 3.859,1207 3.862,1208 4.784,1209 3.856,1210 3.883,1211 3.913,1212 3.81,1213 3.827,1214 4.746,1215 3.819,1216 3.824,1217 3.869,1218 3.71,1219 3.724,1220 4.673,1221 3.713,1222 3.644,1223 3.694,1224 3.527,1225 3.511,1226 4.317,1227 3.505,1228 3.452,1229 3.518,1230 3.308,1231 3.3,1232 4.122,1233 3.294,1234 3.315,1235 3.394,1236 3.167,1237 3.143,1238 3.904,1239 3.139,1240 3.208,1241 3.268,1242 3.078,1243 3.05,1244 3.872,1245 3.047,1246 0.113,1247 0.093,1248 0.168,1249 0.104,1250 0.079,1251 4.395,1252 0.103,1253 3.609,1254 0.033,1255 6.547,1256 0.266,1257 4.064,1258 0.078,1259 3.088,1260 4.013,1261 1.277,1262 10.375,1263 3.026,1264 1.968,1265 1.942,1266 2.107,1267 2.077,1268 1.485,1269 2.09,1270 1.932,1271 1.895,1272 2.062,1273 2.045,1274 1.314,1275 2.053,1276 1.896,1277 1.867,1278 2.029,1279 1.98,1280 1.249,1281 1.998,1282 1.832,1283 1.784,1284 2.004,1285 1.943,1286 1.166,1287 1.966,1288 1.672,1289 1.608,1290 1.911,1291 1.844,1292 1.097,1293 1.872,1294 1.509,1295 1.455,1296 1.736,1297 1.705,1298 1.004,1299 1.717,1300 1.294,1301 1.227,1302 1.539,1303 1.491,1304 0.825,1305 1.511,1306 1.167,1307 1.102,1308 1.513,1309 1.376,1310 0.756,1311 1.429,1312 4.369,1314 5.659,1316 7.14,1317 2.708,1318 8.702,1319 5.198,1320 10.307,1328 12.907,1332 0.668,1333 5.04,1340 44.24,1341 90.436,1342 214.43,1343 305.903,1344 370.738,1345 383.857,1346 391.857,1347 55.899,1348 8.368,1349 23.55,1350 23.55,1351 31,1352 12.59,1353 4.322,1354 3.459,1355 52.512,1356 185,1357 198,1358 0.133,1359 269.069,1360 472.05,1361 648.289,1362 64656,1364 23.874,1365 0.682,1366 0.596,1367 23.874,1368 20.871,1369 17.242,1370 0.442,1371 0.345,1372 13.383,1373 16.975,1374 13.068,1375 10.817,1376 17.242,1377 13.457,1378 14.962,1379 0.288,1380 0.2,1381 14.962,1382 10.375,1383 12.648,1384 0.189,1385 0.117,1386 12.648,1387 7.824,1388 10.31,1389 0.121,1390 0.067,1391 10.31,1392 5.704,1393 8.812,1394 0.079,1395 0.039,1396 8.812,1397 4.367,1398 0.217,1399 105.219,1400 0.192,1401 32.968,1402 0.346,1403 182,1404 375.026,1405 188.6,1406 376.186,1407 524.91,1408 356,1409 210,1410 385.566,1411 217.822,1412 398.617,1413 578.7,1414 377,1415 5.503}
{0 CHEMBL75013,1 1.272,2 13.321,3 5.277,4 27.851,5 118.68,6 6.276,7 0.387,8 4.15,9 4.286,10 3.58,11 3.729,12 5.043,13 3.66,14 4.752,15 4.952,16 3.898,17 4.157,18 5.561,19 4.049,20 5.108,21 5.358,22 3.992,23 4.356,24 5.878,25 4.207,26 5.185,27 5.466,28 3.803,29 4.306,30 5.912,31 4.112,32 5.071,33 5.367,34 3.733,35 4.178,36 5.801,37 3.992,38 4.909,39 5.174,40 3.645,41 4.069,42 5.719,43 3.901,44 4.834,45 5.087,46 3.557,47 3.994,48 5.692,49 3.824,50 4.782,51 5.064,52 3.396,53 3.914,54 5.485,55 3.715,56 0.066,57 0.833,58 14.393,59 6.128,60 7.601,61 8.711,62 0.164,63 1.432,64 26.445,65 10.471,66 15.244,67 15.217,68 0.25,69 1.894,70 37.59,71 14.762,72 31.985,73 21.427,74 0.3,75 1.936,76 40.494,77 15.596,78 38.438,79 22.694,80 0.303,81 1.691,82 35.985,83 14.059,84 35.51,85 20.396,86 0.247,87 1.455,88 30.892,89 12.001,90 31.478,91 17.093,92 0.303,93 1.337,94 28.848,95 11.163,96 38.132,97 15.742,98 0.188,99 1.278,100 26.868,101 10.711,102 25.675,103 15.433,104 2,105 41,106 0.208,107 0.495,108 0.702,109 0.835,110 0.85,111 0.85,112 3.374,113 1.059,114 -5.49,115 -5.37,116 -5.01,121 41.7,123 7,124 1,127 4,144 8,145 3,146 1,159 1,176 17,180 5,185 3,187 18,192 6,197 4,200 14,206 5,211 1,214 11,219 5,222 1,224 1,227 14,232 1,237 1,239 14,243 1,244 3,249 1,251 13,256 2,261 2,264 10,269 2,277 8,281 1240,282 19.43,283 19.43,284 19.43,285 19.43,286 19.43,287 17.863,288 23.58,289 11.851,290 19.57,291 15.348,292 15.348,293 15.348,294 15.348,295 15.348,296 12.944,297 27.563,298 5.706,299 15.555,300 4.635,301 2.873,302 1.604,303 0.792,304 0.7,305 0.7,306 4.079,311 1,312 1,313 821,314 3,318 270.879,319 97.751,323 147.718,325 2.179,326 16.552,329 0.75,330 1,331 1,332 1,333 1,334 1,335 1,336 0.96,337 58,338 373,339 4.331,340 3.606,341 6.248,342 3.97,343 2.972,344 3.973,345 1.277,346 9.413,347 2.971,348 3.942,349 3.035,350 5.898,351 3.697,352 2.73,353 3.457,354 0.916,355 8.153,356 2.659,357 3.894,358 3.017,359 5.616,360 3.6,361 2.594,362 3.236,363 0.4,364 7.783,365 2.593,366 3.595,367 2.557,368 5.329,369 3.446,370 2.445,371 2.634,372 0.172,373 6.937,374 2.445,375 3.178,376 2.225,377 4.955,378 3.027,379 2.072,380 2.25,382 5.867,383 1.969,384 2.948,385 1.996,386 4.469,387 2.65,388 1.685,389 2.083,391 4.509,392 1.648,393 2.89,394 1.928,395 4.168,396 2.648,397 1.646,398 1.976,400 3.801,401 1.622,402 2.808,403 1.584,404 3.716,405 2.436,406 1.436,407 1.867,409 3.253,410 1.435,411 2.609,412 1.52,413 3.592,414 2.379,415 1.37,416 1.609,418 3.037,419 1.377,420 2.5,421 1.09,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.072,430 1.077,431 3.271,432 1.984,433 1,434 1.014,436 2.136,437 0.983,438 2,439 1,440 3.247,441 1.852,442 0.869,443 1,445 1.962,446 0.853,447 1.754,448 0.95,449 3.098,450 1.585,451 0.563,452 0.631,454 1.308,455 0.572,456 1.216,457 0.376,458 2.772,459 1.038,460 0.056,461 0.062,463 0.139,464 0.055,465 1.079,466 0.164,467 2.448,468 0.837,469 -0.15,470 -0.167,472 -0.349,473 -0.147,474 13.633,475 0.487,476 0.482,477 0.017,478 31,479 1.107,480 14,481 0.5,482 17,483 0.607,484 27.45,485 0.98,486 30.767,487 0.513,488 19.741,489 0.705,490 5.489,491 0.196,492 8.287,493 0.296,494 0.024,496 0.249,501 0.75,502 1.263,503 0.963,504 1.118,505 0.539,506 1.062,507 0.981,508 1.167,509 1.089,510 1.106,511 0.592,512 1.096,513 1.007,514 1.102,515 1.038,516 1.068,517 0.86,518 1.055,519 1.135,520 1.046,521 1.075,522 1.054,523 1.124,524 1.059,525 0.872,526 0.878,527 0.874,528 0.896,529 0.999,530 0.888,531 1.468,532 0.979,533 1.066,534 1.016,535 1.803,536 1.018,537 1.702,538 1.013,539 1.16,540 1.056,541 2.329,542 1.081,543 1.036,544 1.055,545 1.034,546 1.051,547 1.228,548 1.05,549 4.5,550 0.098,551 2.444,552 1,553 1.197,554 0.691,555 0.368,556 0.276,557 0.175,558 0.113,559 11970,560 22137,561 2.159,562 53.3,563 7,564 16,567 1,568 2,569 6,572 1.702,573 2.1,574 3.697,575 -0.465,582 76.317,583 1.272,584 3.033,585 4.303,586 5.115,587 5.207,588 5.207,589 3.146,590 4.379,591 4.779,592 3.878,593 1466.05,594 8.264,595 20627.5,600 354.413,601 1.018,602 4.772,603 0.145,604 0.005,605 0.06,606 0.023,607 0.036,608 0.022,609 0.013,610 0.011,611 0.008,612 0.005,613 0.327,614 0.5,615 0.88,616 0.343,617 144.599,618 0.019,619 -0.053,620 0.061,621 0.013,622 0.031,623 0.035,624 -0.07,625 -0.031,626 -0.075,627 -0.059,628 0.014,629 -0.064,630 -0.034,631 -0.073,632 -0.045,633 -0.065,634 0.025,635 -0.057,636 -0.068,637 -0.077,638 -0.09,639 -0.087,640 -0.045,641 -0.089,642 0.118,643 0.061,644 0.1,645 0.066,646 0.044,647 0.08,648 -0.09,649 -0.012,650 -0.06,651 -0.035,652 -0.136,653 -0.043,654 -0.06,655 -0.051,656 -0.138,657 -0.07,658 -0.2,659 -0.107,660 -0.048,661 -0.11,662 -0.06,663 -0.07,664 -0.101,665 -0.07,666 1.361,667 5.726,668 0.821,669 30.898,670 0.98,671 1.124,672 4.264,673 18.178,674 0.648,675 3.466,676 3.738,677 3.97,678 4.174,679 4.419,680 4.443,681 4.477,682 4.554,683 4.625,684 4.691,685 7.821,686 0.594,687 376.59,688 3.466,689 4.977,690 5.802,691 6.645,692 7.484,693 8.331,694 9.174,695 10.023,696 10.87,697 11.72,698 3.3,701 1,703 1,715 8,720 4,722 12,727 1,734 1,741 60,743 13,744 2,745 31,747 63,748 25,749 12,750 4,751 8,752 1,756 4,757 5,767 5,768 1,770 7,772 13,773 12,774 1,777 1,782 1,786 1,793 32,794 3,795 1,796 3,802 2,808 0.75,809 1,829 3,830 1,834 1,855 1,859 3,868 28,876 11,877 1,880 1,881 1,893 1.7,896 1,901 13.333,902 10.367,903 6.222,904 4.085,907 2.012,908 1.265,909 0.987,910 6.564,911 9.597,912 3.664,913 4.143,914 4.615,915 5.063,916 5.549,917 5.587,918 5.754,919 5.814,920 5.936,921 6.084,922 0.889,923 43,924 10.463,926 4.414,927 0.026,929 7.417,931 21.095,933 18.036,936 1.917,937 53.667,941 364.904,942 119.421,943 21.135,945 25.145,948 119.421,949 390.049,950 21.135,952 26.165,953 75.81,954 48.289,955 15.438,957 364.904,959 364.904,960 140.557,961 25.145,964 294.278,965 95.772,968 29.289,969 93.257,970 18.011,972 364.904,973 46.28,974 119.421,977 364.904,978 43.611,979 78.934,980 18.011,981 25.145,982 364.904,983 46.28,984 119.421,986 0.568,987 0.325,988 0.171,989 0.098,990 19,991 7,992 0.095,993 6,994 1,995 1.087,996 4.222,997 230.255,998 0.087,999 23,1000 126.606,1005 19.359,1006 9.494,1007 5.317,1009 46.28,1010 17.01,1015 4.819,1017 18.011,1018 530.606,1019 38,1024 12.726,1028 0.306,1031 58.785,1032 67.434,1034 0.215,1035 0.514,1036 0.728,1037 0.866,1038 0.881,1039 0.881,1040 4.883,1041 1.436,1042 5.74,1043 3.801,1044 4.419,1045 4.828,1046 1.806,1047 6.463,1048 4.395,1049 6.015,1050 1.37,1051 7.238,1052 3.253,1053 3.761,1054 4.369,1055 0.325,1056 7.154,1057 3.737,1058 7.271,1059 1,1060 8.833,1061 3.037,1062 5.927,1063 6.838,1064 1.993,1065 10.217,1066 5.883,1067 8.557,1068 1,1069 10.487,1070 2.275,1071 6.111,1072 7.231,1073 0.393,1074 11.75,1075 6.075,1076 9.878,1077 0.869,1078 12.179,1079 2.136,1080 7.683,1081 9.157,1082 2.342,1083 14.279,1084 7.626,1085 11.222,1086 0.563,1087 13.897,1088 1.962,1089 8.285,1090 9.966,1091 0.384,1092 16.171,1093 8.237,1094 12.584,1095 0.056,1096 15.634,1097 1.308,1098 9.582,1099 11.643,1100 2.756,1101 18.502,1102 9.519,1103 2.972,1104 -0.15,1105 17.385,1106 0.139,1107 10.402,1108 12.678,1109 0.351,1110 20.561,1111 10.346,1112 2.73,1113 9.413,1114 19.145,1115 -0.349,1116 11.568,1117 14.222,1118 3.203,1119 22.817,1120 11.502,1121 2.594,1122 8.153,1123 20.914,1124 3.973,1125 12.503,1126 15.388,1127 0.312,1128 24.958,1129 12.441,1130 2.445,1131 7.783,1132 22.69,1133 3.457,1134 13.609,1135 16.858,1136 3.667,1137 27.188,1138 13.54,1139 2.072,1140 6.937,1141 24.471,1142 3.236,1143 14.604,1144 18.104,1145 0.273,1146 29.369,1147 14.538,1148 1.685,1149 5.867,1150 26.257,1151 2.634,1152 15.683,1153 19.531,1154 4.143,1155 31.593,1156 15.614,1157 1.646,1158 4.509,1159 28.047,1160 2.25,1161 16.712,1162 20.826,1163 0.236,1164 33.797,1165 16.644,1166 11100,1167 15181,1168 21.553,1169 38.887,1170 45.168,1171 46.103,1172 45.519,1173 44.894,1174 44.875,1175 54.583,1176 5.533,1177 121.144,1178 44.361,1179 5.331,1180 5.606,1181 6.05,1182 5.005,1183 4.972,1184 6.973,1185 2.555,1186 15.785,1187 4.971,1188 6.667,1189 1.457,1190 1.487,1191 1.468,1192 1.448,1193 1.448,1194 1.761,1195 0.178,1196 3.908,1197 1.431,1198 4.023,1199 4.06,1200 3.955,1201 3.943,1202 7.427,1203 3.942,1204 3.939,1205 3.982,1206 3.858,1207 3.861,1208 4.761,1209 3.855,1210 3.825,1211 3.872,1212 3.71,1213 3.724,1214 4.717,1215 3.713,1216 3.643,1217 3.695,1218 3.522,1219 3.509,1220 4.318,1221 3.501,1222 3.452,1223 3.517,1224 3.305,1225 3.3,1226 4.152,1227 3.293,1228 3.233,1229 3.313,1230 3.089,1231 3.067,1232 3.901,1233 3.062,1234 3.18,1235 3.254,1236 3.017,1237 2.989,1238 3.846,1239 2.982,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.674,1245 2.91,1246 0.14,1247 0.116,1248 0.202,1249 0.128,1250 0.096,1251 4.331,1252 0.128,1253 3.606,1254 0.041,1255 6.248,1256 0.304,1257 3.97,1258 0.096,1259 2.972,1260 3.973,1261 1.277,1262 9.413,1263 2.971,1264 1.955,1265 1.929,1266 2.107,1267 2.074,1268 1.485,1269 2.088,1270 1.926,1271 1.893,1272 2.044,1273 2.023,1274 1.313,1275 2.03,1276 1.832,1277 1.784,1278 2.006,1279 1.946,1280 1.186,1281 1.968,1282 1.671,1283 1.605,1284 1.921,1285 1.854,1286 1.146,1287 1.883,1288 1.502,1289 1.447,1290 1.735,1291 1.703,1292 1.005,1293 1.715,1294 1.256,1295 1.191,1296 1.513,1297 1.464,1298 0.825,1299 1.482,1300 1.153,1301 1.064,1302 1.509,1303 1.376,1304 0.736,1305 1.429,1306 1.127,1307 1.053,1308 1.431,1309 1.335,1310 0.656,1311 1.373,1312 4.143,1314 5.425,1316 6.895,1317 2.708,1318 8.447,1319 5.094,1320 10.041,1328 12.075,1329 3.493,1332 0.69,1333 2.547,1340 35.66,1341 76.317,1342 182.007,1343 258.175,1344 306.904,1345 312.413,1346 312.413,1347 44.733,1348 7.584,1349 32.34,1350 32.34,1351 25,1352 12.278,1353 3.807,1354 3,1355 42.859,1356 134,1357 122,1358 0.154,1359 218.098,1360 382.13,1361 523.92,1362 23826,1364 19.184,1365 0.685,1366 0.601,1367 19.184,1368 16.83,1369 13.776,1370 0.444,1371 0.353,1372 10.875,1373 13.535,1374 10.637,1375 8.799,1376 13.776,1377 10.94,1378 11.912,1379 0.291,1380 0.205,1381 11.912,1382 8.423,1383 10.023,1384 0.193,1385 0.122,1386 10.023,1387 6.356,1388 7.988,1389 0.125,1390 0.071,1391 7.988,1392 4.55,1393 6.75,1394 0.082,1395 0.042,1396 6.75,1397 3.457,1398 0.252,1399 84.3,1400 0.215,1401 27.574,1402 0.394,1403 144,1404 299.714,1405 149.906,1406 298.394,1407 413.16,1408 282,1409 165,1410 300.439,1411 171.49,1412 309.268,1413 448.37,1414 293,1415 6.506}
{0 CHEMBL75110,1 1.298,2 12.538,3 4.365,4 19.053,5 109.478,6 6.454,7 0.414,8 4.054,9 4.187,10 3.513,11 3.64,12 4.973,13 3.578,14 4.649,15 4.844,16 3.842,17 4.069,18 5.487,19 3.972,20 4.966,21 5.211,22 3.83,23 4.212,24 5.761,25 4.06,26 5.01,27 5.287,28 3.665,29 4.142,30 5.755,31 3.955,32 4.917,33 5.21,34 3.6,35 4.027,36 5.644,37 3.847,38 4.779,39 5.033,40 3.575,41 3.95,42 5.659,43 3.795,44 4.738,45 5,46 3.399,47 3.899,48 5.543,49 3.713,50 4.652,51 4.947,52 3.28,53 3.797,54 5.276,55 3.594,56 0.057,57 0.754,58 12.692,59 5.423,60 6.67,61 7.653,62 0.149,63 1.3,64 23.521,65 9.271,66 13.75,67 13.392,68 0.221,69 1.642,70 32.534,71 12.849,72 30.137,73 18.481,74 0.254,75 1.627,76 34.191,77 13.345,78 34.455,79 19.187,80 0.221,81 1.457,82 31.131,83 12.179,84 26.541,85 17.538,86 0.286,87 1.282,88 27.394,89 10.549,90 36.306,91 14.846,92 0.272,93 1.23,94 26.156,95 10.284,96 35.322,97 14.558,98 0.132,99 1.142,100 23.532,101 9.63,102 16.802,103 14.009,104 2,105 39,106 0.216,107 0.52,108 0.725,109 0.833,110 0.842,111 0.842,112 3.303,113 1.028,114 -5.07,115 -4.97,116 -4.66,121 42.6,123 5,124 1,127 4,144 8,145 3,146 1,159 1,176 15,180 5,185 3,187 16,192 6,197 2,200 12,206 6,211 1,214 8,219 5,227 12,235 1,237 1,239 14,243 1,244 1,249 1,251 12,256 2,261 1,264 7,269 3,274 2,277 4,281 1010,282 18.016,283 18.016,284 18.016,285 18.016,286 18.016,287 16.449,288 21.748,289 10.851,290 18.156,291 14.348,292 14.348,293 14.348,294 14.348,295 14.348,296 11.944,297 26.584,298 5.209,299 14.554,300 4.456,301 2.634,302 1.403,303 0.755,304 0.704,305 0.704,306 4.006,311 1,312 1,313 724,314 3,317 69.932,318 261.733,321 120.582,325 2.112,326 15.673,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 54,338 326,339 4.342,340 3.607,341 6.257,342 3.986,343 2.989,344 3.981,345 1.277,346 9.438,347 2.985,348 3.942,349 3.074,350 5.904,351 3.7,352 2.731,353 3.457,354 0.916,355 8.171,356 2.664,357 3.906,358 3.017,359 5.616,360 3.611,361 2.607,362 3.247,363 0.4,364 7.783,365 2.597,366 3.595,367 2.557,368 5.329,369 3.447,370 2.447,371 2.634,372 0.172,373 6.937,374 2.445,375 3.178,376 2.225,377 4.955,378 3.027,379 2.072,380 2.25,382 5.867,383 1.968,384 2.899,385 1.958,386 4.405,387 2.531,388 1.535,389 2.032,391 4.286,392 1.531,393 2.87,394 1.759,395 4.163,396 2.502,397 1.5,398 1.968,400 3.778,401 1.494,402 2.803,403 1.52,404 3.593,405 2.406,406 1.41,407 1.857,409 3.039,410 1.402,411 2.5,412 1.251,413 3.437,414 2.022,415 1.056,416 1.5,418 2.383,419 1.017,420 2.178,421 1.087,422 3.414,423 2,424 1,425 1.151,427 2.275,428 1,429 2,430 1.077,431 3.247,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.769,439 1,440 3.132,441 1.613,442 0.6,443 0.67,445 1.392,446 0.604,447 1.618,448 0.601,449 2.985,450 1.353,451 0.365,452 0.433,454 0.895,455 0.36,456 1.216,457 0.37,458 2.758,459 1.026,460 0.039,461 0.044,463 0.096,464 0.038,465 0.73,466 -0.084,467 2.381,468 0.488,469 -0.514,470 -0.579,472 -1.173,473 -0.513,474 12.633,475 0.486,476 0.482,477 0.019,478 30,479 1.154,480 14,481 0.538,482 16,483 0.615,484 23.553,485 0.906,486 28.167,487 0.522,488 18.632,489 0.717,490 5.489,491 0.211,492 7.287,493 0.28,494 0.026,496 0.269,501 0.739,502 1.243,503 0.925,504 1.086,505 0.534,506 1.027,507 0.981,508 1.139,509 1.061,510 1.07,511 0.591,512 1.061,513 1.017,514 1.104,515 1.088,516 1.108,517 0.889,518 1.102,519 1.092,520 1.02,521 1.042,522 1.042,523 1.171,524 1.042,525 0.941,526 0.888,527 0.866,528 0.906,529 1.066,530 0.886,531 1.509,532 0.966,533 1.075,534 1.009,535 1.98,536 1.019,537 1.358,538 0.995,539 1.16,540 1.053,541 1.783,542 1.097,543 0.463,544 0.988,545 0.902,546 1.006,547 0.408,548 0.99,549 4.5,550 0.098,551 2.444,552 0.944,553 1.062,554 0.566,555 0.372,556 0.235,557 0.161,558 0.108,559 9962,560 19481,561 2.172,562 51.9,563 3,564 16,567 1,568 2,569 6,572 1.682,573 2.108,574 3.613,575 -0.446,577 1,582 70.116,583 1.298,584 3.121,585 4.352,586 5,587 5.051,588 5.051,589 3.094,590 4.133,591 4.673,592 3.798,593 1234.5,594 8.048,595 16408.9,597 1,599 1,600 310.764,601 1.058,602 4.663,603 0.155,604 0.006,605 0.063,606 0.026,607 0.037,608 0.02,609 0.014,610 0.011,611 0.008,612 0.006,613 0.345,614 0.5,615 1,616 0.362,617 130.947,618 0.013,619 -0.057,620 0.062,621 0.014,622 0.023,623 0.036,624 -0.079,625 -0.01,626 -0.068,627 -0.042,628 0.007,629 -0.049,630 -0.062,631 -0.091,632 -0.107,633 -0.112,634 0.015,635 -0.111,636 -0.051,637 -0.071,638 -0.062,639 -0.069,640 -0.046,641 -0.067,642 0.042,643 0.036,644 0.11,645 0.06,646 0.003,647 0.088,648 -0.005,649 -0.009,650 -0.063,651 -0.029,652 -0.107,653 -0.049,654 -0.067,655 -0.047,656 -0.166,657 -0.069,658 -0.187,659 -0.122,660 0.061,661 -0.054,662 0.041,663 -0.022,664 0.015,665 0.003,666 1.355,667 5.562,668 0.808,669 26.834,670 0.982,671 1.122,672 3.845,673 14.782,674 0.655,675 3.401,676 3.689,677 3.932,678 4.143,679 4.331,680 4.317,681 4.407,682 4.477,683 4.419,684 4.477,685 7.426,686 0.604,687 348.53,688 3.401,689 4.92,690 5.753,691 6.603,692 7.447,693 8.3,694 9.149,695 10.003,696 10.854,697 11.709,698 3.7,701 1,703 1,715 8,720 4,722 12,727 1,734 1,741 54,743 13,744 2,745 29,747 57,748 23,749 12,750 4,751 8,752 1,756 4,757 5,767 3,768 1,770 5,772 13,773 10,774 1,777 1,782 1,786 1,790 1,793 28,794 3,795 1,796 3,802 2,808 0.75,809 1,828 1,829 3,832 1,855 1,859 3,868 26,876 9,877 1,880 1,881 1,893 1.9,896 1,901 12.333,902 9.367,903 5.722,904 3.585,907 1.997,908 1.271,909 0.997,910 5.475,911 9.367,912 3.611,913 4.111,914 4.595,915 5.05,916 5.511,917 5.529,918 5.716,919 5.76,920 5.637,921 5.79,922 1,923 36,924 9.702,926 4.125,927 0.026,929 7.449,931 19.462,933 16.703,936 1.949,937 50.667,939 1,940 1,941 317.82,942 114.352,943 21.135,945 25.145,948 114.352,949 342.965,950 21.135,952 21.095,953 75.81,954 48.289,955 15.438,957 317.82,959 317.82,960 135.487,961 25.145,964 247.193,965 95.772,968 24.22,969 93.257,970 18.011,972 317.82,973 46.28,974 114.352,977 317.82,978 38.542,979 78.934,980 18.011,981 25.145,982 317.82,983 46.28,984 114.352,986 0.574,987 0.33,988 0.172,989 0.092,990 19,991 7,992 0.105,993 6,994 1,995 1.095,996 4.077,997 208.36,998 0.095,999 21,1000 114.211,1005 17.453,1006 8.157,1007 4.428,1009 46.28,1010 16.864,1015 4.79,1017 18.011,1018 478.452,1019 36,1024 12.562,1028 0.311,1031 53.018,1032 60.604,1034 0.226,1035 0.542,1036 0.756,1037 0.869,1038 0.878,1039 0.878,1040 4.836,1041 1.41,1042 5.7,1043 3.778,1044 4.369,1045 4.796,1046 1.806,1047 6.438,1048 4.345,1049 5.98,1050 1.056,1051 7.209,1052 3.039,1053 3.761,1054 4.369,1055 0.325,1056 7.154,1057 3.737,1058 7.244,1059 1,1060 8.812,1061 2.383,1062 5.894,1063 6.825,1064 1.993,1065 10.21,1066 5.849,1067 8.539,1068 1,1069 10.473,1070 2.275,1071 6.133,1072 7.241,1073 0.393,1074 11.761,1075 6.093,1076 9.868,1077 0.6,1078 12.17,1079 2.136,1080 7.676,1081 9.158,1082 2.342,1083 14.284,1084 7.616,1085 11.219,1086 0.365,1087 13.893,1088 1.392,1089 8.316,1090 9.981,1091 0.384,1092 16.187,1093 8.263,1094 12.588,1095 0.039,1096 15.633,1097 0.895,1098 9.597,1099 11.653,1100 2.756,1101 18.516,1102 9.529,1103 2.989,1104 -0.514,1105 17.387,1106 0.096,1107 10.441,1108 12.696,1109 0.351,1110 20.582,1111 10.378,1112 2.731,1113 9.438,1114 19.15,1115 -1.173,1116 11.6,1117 14.238,1118 3.203,1119 22.839,1120 11.527,1121 2.607,1122 8.171,1123 20.922,1124 3.981,1125 12.551,1126 15.41,1127 0.312,1128 24.984,1129 12.48,1130 2.447,1131 7.783,1132 22.699,1133 3.457,1134 13.655,1135 16.879,1136 3.667,1137 27.216,1138 13.578,1139 2.072,1140 6.937,1141 24.482,1142 3.247,1143 14.662,1144 18.129,1145 0.273,1146 29.402,1147 14.585,1148 1.535,1149 5.867,1150 26.27,1151 2.634,1152 15.743,1153 19.557,1154 4.143,1155 31.627,1156 15.663,1157 1.5,1158 4.286,1159 28.062,1160 2.25,1161 16.78,1162 20.855,1163 0.236,1164 33.835,1165 16.7,1166 9174,1167 12913,1168 20.167,1169 35.364,1170 42.924,1171 43.991,1172 43.076,1173 42.701,1174 42.7,1175 52.448,1176 5.533,1177 116.956,1178 42.174,1179 5.342,1180 5.607,1181 6.059,1182 5.021,1183 4.989,1184 6.981,1185 2.555,1186 15.798,1187 4.985,1188 6.368,1189 1.48,1190 1.517,1191 1.485,1192 1.472,1193 1.472,1194 1.809,1195 0.191,1196 4.033,1197 1.454,1198 4.031,1199 4.066,1200 3.968,1201 3.951,1202 7.427,1203 3.951,1204 3.944,1205 3.988,1206 3.861,1207 3.863,1208 4.766,1209 3.857,1210 3.825,1211 3.871,1212 3.711,1213 3.724,1214 4.737,1215 3.713,1216 3.584,1217 3.633,1218 3.483,1219 3.421,1220 4.318,1221 3.427,1222 3.354,1223 3.427,1224 3.203,1225 3.199,1226 4.084,1227 3.189,1228 3.167,1229 3.233,1230 3.018,1231 3.016,1232 3.889,1233 3.006,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.692,1239 2.91,1240 2.947,1241 3.014,1242 2.792,1243 2.802,1244 3.674,1245 2.792,1246 0.15,1247 0.124,1248 0.216,1249 0.137,1250 0.103,1251 4.342,1252 0.137,1253 3.607,1254 0.044,1255 6.257,1256 0.325,1257 3.986,1258 0.103,1259 2.989,1260 3.981,1261 1.277,1262 9.438,1263 2.985,1264 1.944,1265 1.912,1266 2.106,1267 2.072,1268 1.485,1269 2.086,1270 1.914,1271 1.888,1272 2.027,1273 1.997,1274 1.21,1275 2.006,1276 1.827,1277 1.779,1278 1.985,1279 1.938,1280 1.157,1281 1.958,1282 1.493,1283 1.437,1284 1.749,1285 1.698,1286 1.027,1287 1.719,1288 1.461,1289 1.385,1290 1.71,1291 1.679,1292 0.938,1293 1.694,1294 1.202,1295 1.143,1296 1.513,1297 1.407,1298 0.825,1299 1.429,1300 1.153,1301 1.064,1302 1.458,1303 1.376,1304 0.685,1305 1.424,1306 0.982,1307 0.922,1308 1.228,1309 1.191,1310 0.434,1311 1.211,1312 4.078,1314 5.371,1315 2.398,1316 6.853,1317 4.595,1318 8.416,1319 6.581,1320 10.019,1328 9.544,1329 3.355,1332 0.696,1333 2.543,1340 32.606,1341 70.116,1342 168.544,1343 234.989,1344 270.009,1345 272.764,1346 272.764,1347 38.951,1348 7.37,1349 32.34,1350 32.34,1351 23,1352 12.264,1353 3.807,1354 3,1355 38.451,1356 118,1357 104,1358 0.156,1359 198.914,1360 347.53,1361 477.11,1362 17778,1364 17.769,1365 0.683,1366 0.593,1367 17.769,1368 15.416,1369 12.776,1370 0.441,1371 0.343,1372 9.875,1373 12.535,1374 9.657,1375 7.967,1376 12.776,1377 9.94,1378 11.205,1379 0.287,1380 0.198,1381 11.205,1382 7.716,1383 9.523,1384 0.19,1385 0.117,1386 9.523,1387 5.873,1388 7.64,1389 0.123,1390 0.068,1391 7.64,1392 4.233,1393 6.092,1394 0.081,1395 0.04,1396 6.092,1397 3.023,1398 0.256,1399 78.3,1400 0.223,1401 25.922,1402 0.401,1403 136,1404 291.714,1405 141.906,1406 290.071,1407 401.64,1408 274,1409 157,1410 292.439,1411 163.49,1412 300.946,1413 436.87,1414 285,1415 7.49}
{0 CHEMBL75121,1 1.409,2 13.774,3 5.003,4 25.027,5 122.082,6 7.42,7 0.529,8 4.116,9 4.213,10 3.687,11 3.678,12 5.237,13 3.66,14 4.634,15 4.79,16 4.017,17 4.044,18 5.716,19 4.015,20 4.808,21 4.954,22 4.121,23 4.209,24 5.875,25 4.15,26 4.99,27 5.206,28 4.072,29 4.209,30 5.997,31 4.124,32 4.954,33 5.155,34 3.994,35 4.169,36 6.002,37 4.083,38 4.91,39 5.137,40 3.842,41 4.111,42 5.891,43 3.99,44 4.779,45 5.023,46 3.737,47 3.99,48 5.72,49 3.864,50 4.622,51 4.829,52 3.656,53 3.847,54 5.666,55 3.752,56 0.001,57 0.709,58 11.145,59 5.438,60 7.661,61 6.673,62 0.326,63 1.166,64 21.555,65 8.555,66 29.663,67 10.638,68 0.187,69 1.376,70 24.614,71 11.006,72 23.752,73 13.898,74 0.348,75 1.623,76 33.008,77 12.867,78 44.431,79 17.053,80 0.451,81 1.533,82 31.944,83 12.263,84 53.913,85 15.653,86 0.392,87 1.46,88 31.084,89 12.378,90 52.036,91 16.394,92 0.282,93 1.299,94 27.305,95 11.09,96 40.365,97 15.203,98 0.348,99 1.099,100 22.991,101 8.907,102 43.061,103 11.533,104 21,105 47,106 0.23,107 0.528,108 0.682,109 0.776,110 0.807,111 0.819,112 3.471,113 0.89,114 -5.27,115 -5.16,116 -4.83,121 46.4,126 3,127 2,137 1,138 1,144 11,145 4,146 3,160 1,176 16,179 1,180 8,187 18,191 1,192 12,200 14,205 1,206 12,214 8,218 1,219 9,227 10,231 1,232 5,239 13,243 1,244 4,251 13,255 2,256 5,264 10,269 4,277 7,281 1675,282 21.204,283 21.204,284 21.204,285 21.204,286 21.204,287 18.769,288 23.428,289 12.489,290 21.738,291 16.685,292 16.685,293 16.685,294 16.685,295 16.685,296 12.849,297 30.414,298 5.808,299 17.339,300 4.398,301 2.57,302 1.626,303 1.054,304 0.862,305 0.79,306 4.169,311 1,312 1,313 922,314 3.391,318 398.258,322 151.873,325 2.248,326 24.324,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 66.5,338 427,339 4.511,340 3.729,341 6.553,342 4.125,343 3.149,344 4.166,345 1.674,346 10.396,347 3.074,348 4.246,349 3.234,350 6.271,351 3.853,352 2.88,353 3.833,354 0.995,355 9.454,356 2.796,357 3.959,358 3.042,359 5.835,360 3.648,361 2.682,362 3.458,363 0.86,364 7.962,365 2.597,366 3.879,367 2.733,368 5.575,369 3.481,370 2.501,371 3.362,372 0.86,373 7.638,374 2.456,375 3.655,376 2.698,377 5.346,378 3.307,379 2.344,380 2.989,381 0.359,382 6.96,383 2.234,384 3.348,385 2.503,386 5.027,387 2.994,388 2.024,389 2.535,391 5.739,392 1.949,393 3.178,394 2.224,395 4.747,396 2.831,397 1.879,398 2.349,400 5.216,401 1.778,402 3.062,403 2.11,404 4.608,405 2.669,406 1.705,407 2.217,409 4.813,410 1.633,411 2.786,412 1.682,413 4.145,414 2.38,415 1.393,416 1.862,418 3.436,419 1.372,420 2.642,421 1.492,422 3.572,423 2.185,424 1.277,425 1.585,427 2.987,428 1.147,429 2.5,430 1.163,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.5,439 1.003,440 3.398,441 2,442 1,443 1.5,445 2.136,446 1,447 2.018,448 1,449 3.247,450 1.61,451 0.666,452 0.85,454 1.49,455 0.618,456 1.496,457 1,458 2.911,459 1.233,460 0.384,461 0.415,463 0.531,464 0.323,465 1.347,466 0.766,467 2.84,468 1.075,469 0.11,470 0.129,472 0.263,473 0.106,474 14.733,475 0.475,476 0.691,477 0.022,478 42,479 1.355,480 22.5,481 0.726,482 19.5,483 0.629,484 23.799,485 0.768,486 32.667,487 0.583,488 33.574,489 1.083,490 8.839,491 0.285,492 6.228,493 0.201,494 0.124,496 0.333,501 0.788,502 1.223,503 0.767,504 1.103,505 0.637,506 0.96,507 1.149,508 0.79,509 0.879,510 0.753,511 0.692,512 0.755,513 0.822,514 1.266,515 0.988,516 1.222,517 0.732,518 1.149,519 0.883,520 1.049,521 0.912,522 1.011,523 0.863,524 0.969,525 1.21,526 1.007,527 1.104,528 1.014,529 1.293,530 1.035,531 0.887,532 0.966,533 1.011,534 1.003,535 1.101,536 1.026,537 0.554,538 0.957,539 0.826,540 0.963,541 0.606,542 0.945,543 1.095,544 0.94,545 1.059,546 0.964,547 1.595,548 1.003,549 6.5,550 0.177,551 3.111,552 2.063,553 2.102,554 1.028,555 0.826,556 0.373,557 0.282,558 0.204,559 14208,560 36109,561 2.084,562 44.6,564 25,572 1.732,573 1.958,574 3.725,575 -0.831,582 78.904,583 1.409,584 3.237,585 4.181,586 4.753,587 4.945,588 5.017,589 3.268,590 4.543,591 4.922,592 3.903,593 1814.74,594 8.573,595 26713.5,597 1,600 325.212,601 1.383,602 4.888,603 0.191,604 0.008,605 0.066,606 0.041,607 0.046,608 0.024,609 0.023,610 0.011,611 0.009,612 0.008,613 0.428,614 0.33,615 1,616 0.796,617 163.719,618 -0.001,619 -0.149,620 0.068,621 -0.085,622 -0.039,623 -0.013,624 -0.038,625 0.283,626 0.062,627 0.219,628 0.062,629 0.174,630 0.061,631 -0.246,632 -0.09,633 -0.219,634 0.035,635 -0.187,636 0.057,637 -0.051,638 0.069,639 -0.036,640 0.078,641 0.011,642 -0.063,643 -0.017,644 -0.11,645 -0.043,646 -0.066,647 -0.075,648 0.022,649 -0.011,650 -0.026,651 -0.012,652 -0.013,653 -0.025,654 0.143,655 -0.002,656 0.147,657 0.036,658 0.16,659 0.082,660 -0.016,661 0.046,662 -0.067,663 0.012,664 -0.126,665 -0.032,666 2.048,667 5.607,668 0.71,669 36.941,670 1,671 1.113,672 4.045,673 16.361,674 0.678,675 3.555,676 3.871,677 4.143,678 4.407,679 4.663,680 4.727,681 4.89,682 5.03,683 5.112,684 5.118,685 7.907,686 0.646,687 415.52,688 3.555,689 5.094,690 5.943,691 6.819,692 7.685,693 8.566,694 9.44,695 10.325,696 11.204,697 12.091,698 1.8,701 1,715 11,720 7,722 18,739 2,741 56,743 20,744 3,745 34,747 59,748 26,749 18,750 7,751 11,752 3,756 4,757 5,772 21,773 5,777 2,782 1,784 1,786 2,793 25,794 5,796 5,802 1,808 0.75,809 4,829 4,833 1,846 1,849 1,850 1,855 1,859 3,864 3,868 31,876 2,878 3,881 1,893 7.1,896 1,898 3,901 15.833,902 11.117,903 6.944,904 3.108,907 3.646,908 1.461,909 0.98,910 6.402,911 11.561,912 3.829,913 4.413,914 4.985,915 5.539,916 6.11,917 6.341,918 6.737,919 7.131,920 7.467,921 7.73,922 1,923 50,924 11.44,926 4.774,927 0.026,929 7.677,931 21.9,933 17.597,936 2.177,937 67.5,940 1,941 294.278,942 186.938,943 3.124,945 58.145,948 186.938,949 352.422,950 3.124,951 30.162,952 4.211,953 113.715,954 32.336,955 67.782,957 294.278,959 294.278,960 190.063,961 58.145,964 294.278,965 58.145,968 7.336,969 173.251,970 9.476,972 294.278,973 61.269,974 186.938,977 294.278,978 43.061,979 147.002,981 58.145,982 294.278,983 61.269,984 186.938,986 0.575,987 0.342,988 0.189,989 0.104,990 22,991 10,992 0.119,993 7,994 1,995 1.091,996 4.284,997 274.579,998 0.091,999 22,1000 145.58,1005 21.165,1006 9.377,1007 4.816,1009 61.269,1010 21.903,1015 5.632,1018 542.485,1019 45,1024 12.607,1026 1.833,1028 0.137,1031 56.014,1032 62.318,1034 0.243,1035 0.557,1036 0.72,1037 0.819,1038 0.852,1039 0.864,1040 5.059,1041 1.705,1042 5.922,1043 5.216,1044 4.554,1045 5.1,1046 2.452,1047 6.72,1048 4.487,1049 6.261,1050 1.393,1051 7.471,1052 4.813,1053 4.111,1054 4.832,1055 0.325,1056 7.573,1057 4.017,1058 7.562,1059 1.277,1060 9.117,1061 3.436,1062 6.138,1063 7.26,1064 3.014,1065 10.659,1066 6.017,1067 8.897,1068 1,1069 10.818,1070 2.987,1071 6.494,1072 7.778,1073 0.504,1074 12.313,1075 6.342,1076 10.26,1077 1,1078 12.555,1079 2.275,1080 7.984,1081 9.682,1082 3.869,1083 14.911,1084 7.815,1085 11.646,1086 0.666,1087 14.317,1088 2.136,1089 8.721,1090 10.586,1091 0.585,1092 16.918,1093 8.52,1094 13.047,1095 0.384,1096 16.096,1097 1.49,1098 9.987,1099 12.25,1100 4.843,1101 19.338,1102 9.77,1103 3.149,1104 0.11,1105 17.889,1106 0.531,1107 10.916,1108 13.366,1109 0.622,1110 21.509,1111 10.668,1112 2.88,1113 10.396,1114 19.693,1115 0.263,1116 12.086,1117 14.906,1118 5.856,1119 23.862,1120 11.821,1121 2.682,1122 9.454,1123 21.505,1124 4.166,1125 13.111,1126 16.144,1127 0.639,1128 26.112,1129 12.816,1130 2.501,1131 7.962,1132 23.326,1133 3.833,1134 14.244,1135 17.619,1136 6.881,1137 28.441,1138 13.931,1139 2.344,1140 7.638,1141 25.152,1142 3.458,1143 15.317,1144 18.929,1145 0.646,1146 30.728,1147 14.977,1148 2.024,1149 6.96,1150 26.984,1151 3.362,1152 16.439,1153 20.37,1154 7.91,1155 33.051,1156 16.078,1157 1.879,1158 5.739,1159 28.82,1160 2.989,1161 17.537,1162 21.722,1163 0.648,1164 35.358,1165 17.151,1166 13510,1167 21746,1168 22.77,1169 37.96,1170 50.55,1171 51.955,1172 52.034,1173 49.928,1174 49.989,1175 65.501,1176 9.496,1177 142.593,1178 48.165,1179 5.403,1180 5.729,1181 6.355,1182 5.216,1183 5.149,1184 7.166,1185 3.349,1186 17.269,1187 5.074,1188 14.958,1189 1.487,1190 1.528,1191 1.53,1192 1.468,1193 1.47,1194 1.927,1195 0.279,1196 4.194,1197 1.417,1198 4.048,1199 4.062,1200 4.01,1201 3.976,1202 7.433,1203 3.98,1204 3.924,1205 3.953,1206 3.857,1207 3.852,1208 4.966,1209 3.848,1210 3.864,1211 3.886,1212 3.803,1213 3.8,1214 4.768,1215 3.8,1216 3.567,1217 3.615,1218 3.499,1219 3.406,1220 4.723,1221 3.421,1222 3.435,1223 3.472,1224 3.322,1225 3.231,1226 4.527,1227 3.243,1228 3.249,1229 3.314,1230 3.063,1231 2.953,1232 4.494,1233 2.965,1234 3.151,1235 3.216,1236 2.991,1237 2.931,1238 4.193,1239 2.932,1240 2.99,1241 3.057,1242 2.88,1243 2.832,1244 3.947,1245 2.82,1246 0.133,1247 0.11,1248 0.193,1249 0.121,1250 0.093,1251 4.511,1252 0.123,1253 3.729,1254 0.049,1255 6.553,1256 0.306,1257 4.125,1258 0.09,1259 3.149,1260 4.166,1261 1.674,1262 10.396,1263 3.074,1264 1.992,1265 1.979,1266 2.082,1267 2.08,1268 1.246,1269 2.078,1270 1.916,1271 1.887,1272 2.036,1273 2.017,1274 1.163,1275 2.022,1276 1.854,1277 1.837,1278 1.948,1279 1.945,1280 1.083,1281 1.951,1282 1.514,1283 1.47,1284 1.733,1285 1.726,1286 0.866,1287 1.731,1288 1.371,1289 1.323,1290 1.598,1291 1.606,1292 0.649,1293 1.596,1294 1.191,1295 1.116,1296 1.575,1297 1.524,1298 0.574,1299 1.539,1300 1.132,1301 1.059,1302 1.435,1303 1.368,1304 0.555,1305 1.391,1306 1.007,1307 0.932,1308 1.361,1309 1.222,1310 0.5,1311 1.276,1312 4.234,1314 5.549,1316 7.067,1318 8.678,1320 10.338,1322 5.229,1328 1.695,1330 16.207,1333 2.258,1340 36.202,1341 78.904,1342 181.278,1343 234.139,1344 266.192,1345 276.947,1346 280.947,1347 49.99,1348 7.915,1349 51.91,1350 51.91,1351 24,1352 12.624,1353 4.392,1354 3.585,1355 49.763,1356 147,1357 150,1358 0.164,1359 221.176,1360 393.34,1361 531.429,1362 32293,1364 21.794,1365 0.703,1366 0.578,1367 21.794,1368 17.923,1369 15.067,1370 0.443,1371 0.297,1372 9.927,1373 14.47,1374 9.564,1375 8.022,1376 15.067,1377 10.088,1378 13.302,1379 0.283,1380 0.161,1381 13.302,1382 7.547,1383 11.266,1384 0.182,1385 0.085,1386 11.266,1387 5.251,1388 9.525,1389 0.118,1390 0.046,1391 9.525,1392 3.7,1393 7.873,1394 0.075,1395 0.024,1396 7.873,1397 2.527,1398 0.264,1399 94.725,1400 0.21,1401 29.628,1402 0.431,1403 162,1404 482.587,1405 176.037,1406 459.136,1407 628.2,1408 432,1409 190,1410 456.761,1411 204.901,1412 469.059,1413 682.08,1414 435,1415 7.508}
{0 CHEMBL75127,1 1.379,2 13.414,3 5.483,4 30.062,5 118.896,6 6.576,7 0.375,8 4.158,9 4.29,10 3.621,11 3.727,12 5.106,13 3.67,14 4.761,15 4.957,16 3.957,17 4.155,18 5.647,19 4.062,20 5.12,21 5.365,22 4.074,23 4.353,24 5.991,25 4.225,26 5.202,27 5.476,28 3.883,29 4.303,30 6.05,31 4.13,32 5.08,33 5.372,34 3.805,35 4.176,36 5.876,37 4.008,38 4.931,39 5.187,40 3.732,41 4.065,42 5.863,43 3.925,44 4.853,45 5.1,46 3.613,47 3.991,48 5.808,49 3.841,50 4.791,51 5.068,52 3.449,53 3.912,54 5.55,55 3.727,56 0.047,57 0.904,58 13.918,59 6.163,60 5.868,61 8.457,62 0.153,63 1.532,64 26.271,65 10.523,66 16.615,67 14.849,68 0.276,69 2.034,70 38.487,71 14.836,72 41.526,73 20.958,74 0.468,75 2.092,76 42.624,77 15.662,78 61.887,79 22.228,80 0.347,81 1.759,82 37.388,83 14.094,84 43.327,85 20.191,86 0.344,87 1.62,88 32.674,89 12.097,90 49.118,91 16.502,92 0.397,93 1.462,94 30.299,95 11.24,96 58.128,97 15.251,98 0.222,99 1.319,100 27.748,101 10.732,102 34.023,103 15.29,104 5,105 43,106 0.225,107 0.519,108 0.729,109 0.86,110 0.871,111 0.871,112 3.407,113 1.036,114 -5.86,115 -5.72,116 -5.33,121 41.7,123 7,124 1,127 4,144 7,145 3,146 2,159 1,176 15,180 5,185 3,187 16,192 5,197 4,200 13,206 5,211 1,214 11,219 5,222 1,224 1,227 12,232 1,237 1,239 13,243 1,244 3,249 1,251 12,256 2,261 2,264 9,269 2,277 8,281 1354,282 19.93,283 19.93,284 19.93,285 19.93,286 19.93,287 18.31,288 23.857,289 11.993,290 20.121,291 15.809,292 15.809,293 15.809,294 15.809,295 15.809,296 13.329,297 26.613,298 5.736,299 16.125,300 4.528,301 2.728,302 1.44,303 0.633,304 0.567,305 0.567,306 4.11,311 1,312 1,313 852,314 3.082,318 281.037,319 102.24,323 154.441,325 2.193,326 26.119,329 0.75,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.94,337 61.5,338 389,339 4.331,340 3.606,341 6.248,342 3.97,343 2.972,344 3.973,345 1.277,346 9.413,347 2.971,348 4.177,349 3.234,350 6.063,351 3.815,352 2.854,353 3.779,354 0.916,355 8.759,356 2.74,357 3.896,358 3.034,359 5.898,360 3.634,361 2.634,362 3.236,363 0.4,364 8.151,365 2.634,366 3.622,367 2.819,368 5.463,369 3.52,370 2.533,371 2.644,372 0.172,373 7.266,374 2.496,375 3.2,376 2.336,377 5.109,378 3.087,379 2.14,380 2.257,382 6.275,383 2.013,384 2.948,385 1.997,386 4.469,387 2.65,388 1.685,389 2.083,391 4.509,392 1.649,393 2.891,394 1.929,395 4.176,396 2.648,397 1.647,398 2.03,400 3.824,401 1.622,402 2.863,403 1.85,404 4.127,405 2.438,406 1.442,407 1.946,409 3.665,410 1.436,411 2.776,412 1.584,413 3.716,414 2.387,415 1.414,416 1.844,418 3.25,419 1.381,420 2.609,421 1.498,422 3.598,423 2.361,424 1.367,425 1.609,427 2.967,428 1.332,429 2.072,430 1.089,431 3.414,432 1.984,433 1,434 1.014,436 2.275,437 0.983,438 2,439 1.077,440 3.272,441 1.852,442 0.869,443 1,445 1.963,446 0.853,447 1.764,448 0.95,449 3.116,450 1.591,451 0.572,452 0.642,454 1.328,455 0.579,456 1.393,457 0.586,458 2.846,459 1.159,460 0.195,461 0.223,463 0.459,464 0.185,465 1.079,466 0.214,467 2.456,468 0.843,469 -0.139,470 -0.154,472 -0.323,473 -0.135,474 13.919,475 0.48,476 0.571,477 0.02,478 31.75,479 1.095,480 14,481 0.483,482 17.75,483 0.612,484 28.954,485 0.998,486 32.281,487 0.538,488 21.368,489 0.737,490 5.708,491 0.197,492 8.479,493 0.292,494 0.044,496 0.28,499 1,501 0.599,502 1.15,503 0.886,504 1.118,505 0.487,506 1.052,507 0.736,508 1.085,509 1.003,510 1.106,511 0.518,512 1.083,513 0.856,514 1.062,515 0.982,516 1.069,517 0.758,518 1.045,519 1.042,520 0.982,521 1.091,522 1.051,523 1.065,524 1.073,525 0.715,526 0.833,527 0.835,528 0.896,529 0.774,530 0.885,531 1.44,532 1.026,533 1.118,534 1.016,535 1.601,536 1.026,537 1.519,538 1.005,539 1.224,540 1.053,541 1.818,542 1.101,543 0.784,544 0.946,545 0.998,546 1.047,547 0.865,548 1.057,549 5,550 0.114,551 3.111,552 1.188,553 1.468,554 0.802,555 0.389,556 0.335,557 0.199,558 0.113,559 12969,560 27828,561 2.132,562 51.7,563 7,564 15,567 1,568 2,569 6,572 1.711,573 2.047,574 3.696,575 -0.439,582 82.737,583 1.379,584 3.178,585 4.467,586 5.274,587 5.34,588 5.34,589 3.129,590 4.651,591 4.832,592 3.897,593 1582.38,594 8.368,595 22894.3,600 354.413,601 1.178,602 4.812,603 0.156,604 0.005,605 0.072,606 0.026,607 0.042,608 0.024,609 0.013,610 0.012,611 0.009,612 0.005,613 0.364,614 0.5,615 0.88,616 0.434,617 151.438,618 -0.003,619 -0.045,620 0.051,621 0.013,622 0.013,623 0.034,624 -0.038,625 -0.054,626 -0.05,627 -0.061,628 0.031,629 -0.055,630 -0.021,631 -0.093,632 -0.016,633 -0.067,634 0.031,635 -0.046,636 -0.027,637 -0.018,638 -0.105,639 -0.084,640 -0.045,641 -0.102,642 0.07,643 0.017,644 0.123,645 0.063,646 0.02,647 0.094,648 -0.125,649 0.002,650 -0.099,651 -0.033,652 -0.149,653 -0.055,654 -0.129,655 -0.002,656 -0.2,657 -0.066,658 -0.205,659 -0.132,660 -0.029,661 -0.098,662 -0.049,663 -0.07,664 -0.061,665 -0.067,666 1.782,667 5.851,668 0.793,669 32.002,670 0.988,671 1.13,672 4.634,673 21.475,674 0.647,675 3.497,676 3.784,677 4.025,678 4.22,679 4.466,680 4.489,681 4.511,682 4.605,683 4.682,684 4.727,685 7.976,686 0.601,687 394.58,688 3.497,689 5.017,690 5.849,691 6.698,692 7.544,693 8.395,694 9.245,695 10.097,696 10.949,697 11.802,698 3.3,701 1,703 1,715 7,720 5,722 12,727 1,734 1,740 1,741 60,743 13,744 2,745 32,747 63,748 25,749 12,750 5,751 7,752 1,756 4,757 5,767 5,768 1,770 7,772 13,773 12,774 1,777 1,782 1,786 1,791 1,793 31,794 4,795 1,796 4,802 2,808 0.75,809 1,829 3,830 1,834 1,855 1,859 3,866 1,868 29,876 11,877 1,880 1,881 1,892 1,893 1.7,896 1,901 14.167,902 10.426,903 6.417,904 4.072,907 2.08,908 1.271,909 0.988,910 6.74,911 9.76,912 3.689,913 4.19,914 4.673,915 5.113,916 5.598,917 5.653,918 5.787,919 5.853,920 5.99,921 6.125,922 0.889,923 46,924 10.867,926 4.659,927 0.026,929 7.615,931 21.516,933 18.41,936 2.115,937 61.333,941 353.133,942 119.066,943 21.135,945 25.145,946 14.96,948 119.066,949 378.278,950 36.095,952 26.165,953 66.334,954 48.289,955 24.559,956 14.96,957 353.133,959 353.133,960 140.201,961 40.105,964 297.467,965 95.772,968 29.289,969 92.902,970 18.011,972 368.093,973 46.28,974 119.066,977 353.133,978 52.733,979 69.458,980 18.011,981 40.105,982 353.133,983 61.24,984 119.066,986 0.574,987 0.332,988 0.171,989 0.097,990 20,991 8,992 0.095,993 6,994 1,995 1.087,996 4.257,997 242.965,998 0.087,999 23,1000 136.881,1005 20.255,1006 9.649,1007 5.32,1009 61.24,1010 13.228,1015 3.986,1017 18.011,1018 533.439,1019 39,1024 12.722,1028 0.257,1031 59.298,1032 67.774,1034 0.233,1035 0.538,1036 0.756,1037 0.893,1038 0.904,1039 0.904,1040 4.92,1041 1.442,1042 5.802,1043 3.824,1044 4.466,1045 4.875,1046 1.806,1047 6.547,1048 4.429,1049 6.067,1050 1.414,1051 7.319,1052 3.665,1053 3.892,1054 4.527,1055 0.325,1056 7.298,1057 3.832,1058 7.337,1059 1.367,1060 8.934,1061 3.25,1062 5.999,1063 6.921,1064 1.993,1065 10.356,1066 5.932,1067 8.639,1068 1,1069 10.608,1070 2.967,1071 6.256,1072 7.419,1073 0.393,1074 11.93,1075 6.173,1076 9.975,1077 0.869,1078 12.318,1079 2.275,1080 7.787,1081 9.286,1082 2.342,1083 14.464,1084 7.695,1085 11.334,1086 0.572,1087 14.053,1088 1.963,1089 8.444,1090 10.184,1091 0.384,1092 16.379,1093 8.341,1094 12.711,1095 0.195,1096 15.806,1097 1.328,1098 9.719,1099 11.817,1100 2.756,1101 18.717,1102 9.607,1103 2.972,1104 -0.139,1105 17.571,1106 0.459,1107 10.577,1108 12.918,1109 0.351,1110 20.787,1111 10.456,1112 2.854,1113 9.413,1114 19.345,1115 -0.323,1116 11.733,1117 14.433,1118 3.203,1119 23.047,1120 11.603,1121 2.634,1122 8.759,1123 21.127,1124 3.973,1125 12.692,1126 15.644,1127 0.312,1128 25.19,1129 12.554,1130 2.533,1131 8.151,1132 22.913,1133 3.779,1134 13.795,1135 17.094,1136 3.667,1137 27.42,1138 13.649,1139 2.14,1140 7.266,1141 24.704,1142 3.236,1143 14.805,1144 18.368,1145 0.273,1146 29.599,1147 14.653,1148 1.685,1149 6.275,1150 26.499,1151 2.644,1152 15.884,1153 19.782,1154 4.143,1155 31.819,1156 15.725,1157 1.647,1158 4.509,1159 28.296,1160 2.257,1161 16.921,1162 21.092,1163 0.236,1164 34.018,1165 16.757,1166 12091,1167 17830,1168 21.959,1169 38.824,1170 46.955,1171 48.22,1172 47.784,1173 46.717,1174 46.644,1175 56.561,1176 5.533,1177 128.207,1178 45.746,1179 5.331,1180 5.606,1181 6.004,1182 5.005,1183 4.972,1184 6.973,1185 2.555,1186 15.785,1187 4.971,1188 10.038,1189 1.467,1190 1.507,1191 1.493,1192 1.46,1193 1.458,1194 1.768,1195 0.173,1196 4.006,1197 1.43,1198 4.024,1199 4.061,1200 3.957,1201 3.943,1202 8.201,1203 3.942,1204 3.946,1205 3.985,1206 3.882,1207 3.86,1208 7.427,1209 3.86,1210 3.83,1211 3.876,1212 3.718,1213 3.724,1214 4.725,1215 3.714,1216 3.643,1217 3.695,1218 3.522,1219 3.509,1220 4.652,1221 3.501,1222 3.452,1223 3.518,1224 3.305,1225 3.3,1226 4.316,1227 3.293,1228 3.233,1229 3.313,1230 3.089,1231 3.067,1232 4.152,1233 3.062,1234 3.18,1235 3.254,1236 3.018,1237 2.989,1238 3.899,1239 2.982,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.846,1245 2.91,1246 0.135,1247 0.113,1248 0.195,1249 0.124,1250 0.093,1251 4.331,1252 0.124,1253 3.606,1254 0.04,1255 6.248,1256 0.294,1257 3.97,1258 0.093,1259 2.972,1260 3.973,1261 1.277,1262 9.413,1263 2.971,1264 1.954,1265 1.929,1266 2.103,1267 2.075,1268 1.485,1269 2.086,1270 1.921,1271 1.889,1272 2.039,1273 2.023,1274 1.313,1275 2.028,1276 1.83,1277 1.783,1278 1.988,1279 1.947,1280 1.184,1281 1.962,1282 1.671,1283 1.605,1284 1.921,1285 1.854,1286 1.14,1287 1.883,1288 1.502,1289 1.447,1290 1.735,1291 1.703,1292 1.001,1293 1.715,1294 1.256,1295 1.191,1296 1.513,1297 1.464,1298 0.825,1299 1.482,1300 1.153,1301 1.064,1302 1.509,1303 1.376,1304 0.735,1305 1.429,1306 1.127,1307 1.053,1308 1.431,1309 1.335,1310 0.655,1311 1.372,1312 4.174,1314 5.468,1316 6.95,1317 2.708,1318 8.515,1319 5.094,1320 10.122,1324 13.851,1328 10.899,1329 3.47,1332 0.592,1333 2.328,1340 36.043,1341 82.737,1342 190.704,1343 268.033,1344 316.413,1345 320.413,1346 320.413,1347 56.206,1348 7.679,1349 32.34,1350 32.34,1351 25,1352 12.358,1353 3.807,1354 3,1355 45.155,1356 142,1357 117,1358 0.153,1359 219.297,1360 388.2,1361 526.844,1362 26909,1363 1.7,1364 20.054,1365 0.692,1366 0.591,1367 19.184,1368 17.13,1369 14.187,1370 0.443,1371 0.345,1372 10.955,1373 13.834,1374 10.739,1375 8.855,1376 13.776,1377 11.046,1378 12.43,1379 0.289,1380 0.198,1381 11.912,1382 8.529,1383 10.557,1384 0.192,1385 0.117,1386 10.023,1387 6.459,1388 8.265,1389 0.123,1390 0.068,1391 7.988,1392 4.576,1393 6.997,1394 0.081,1395 0.04,1396 6.75,1397 3.482,1398 0.25,1399 87.63,1400 0.213,1401 28.337,1402 0.392,1403 150,1404 393.825,1405 159.737,1406 360.333,1407 485.09,1408 338,1409 173,1410 344.773,1411 182.982,1412 346.614,1413 504.71,1414 328,1415 6.48}
{0 CHEMBL75157,1 1.272,2 13.321,3 5.277,4 27.851,5 118.68,6 6.276,7 0.387,8 4.15,9 4.286,10 3.58,11 3.729,12 5.043,13 3.66,14 4.752,15 4.952,16 3.898,17 4.157,18 5.561,19 4.049,20 5.108,21 5.358,22 3.992,23 4.356,24 5.879,25 4.207,26 5.185,27 5.466,28 3.799,29 4.309,30 5.908,31 4.115,32 5.069,33 5.362,34 3.73,35 4.187,36 5.78,37 4,38 4.924,39 5.188,40 3.653,41 4.076,42 5.761,43 3.906,44 4.838,45 5.096,46 3.555,47 3.996,48 5.675,49 3.823,50 4.782,51 5.064,52 3.391,53 3.918,54 5.481,55 3.72,56 0.066,57 0.833,58 14.393,59 6.128,60 7.601,61 8.711,62 0.164,63 1.432,64 26.445,65 10.471,66 15.244,67 15.217,68 0.25,69 1.894,70 37.59,71 14.762,72 32.318,73 21.427,74 0.302,75 1.934,76 40.487,77 15.624,78 38.151,79 22.712,80 0.241,81 1.687,82 35.795,83 14.233,84 29.738,85 20.53,86 0.305,87 1.466,88 31.429,89 12.236,90 38.69,91 17.374,92 0.292,93 1.344,94 28.877,95 11.255,96 36.093,97 15.921,98 0.19,99 1.277,100 26.861,101 10.739,102 26.063,103 15.451,104 2,105 41,106 0.208,107 0.495,108 0.71,109 0.842,110 0.85,111 0.85,112 3.374,113 1.059,114 -5.49,115 -5.37,116 -5.01,121 41.7,123 7,124 1,127 4,144 8,145 3,146 1,159 1,176 17,180 5,185 3,187 18,192 6,197 4,200 14,206 6,211 1,214 12,219 5,227 15,232 1,235 1,237 1,239 15,243 1,244 2,249 1,251 14,256 2,261 1,264 9,269 3,274 2,277 7,281 1240,282 19.43,283 19.43,284 19.43,285 19.43,286 19.43,287 17.863,288 23.58,289 11.851,290 19.57,291 15.348,292 15.348,293 15.348,294 15.348,295 15.348,296 12.944,297 27.563,298 5.706,299 15.556,300 4.635,301 2.873,302 1.558,303 0.746,304 0.7,305 0.7,306 4.079,311 1,312 1,313 821,314 3,318 270.879,319 97.751,323 147.718,325 2.179,326 16.506,329 0.75,330 1,331 1,332 1,333 1,334 1,335 1,336 0.96,337 58,338 373,339 4.331,340 3.606,341 6.248,342 3.971,343 2.972,344 3.973,345 1.277,346 9.413,347 2.975,348 3.942,349 3.035,350 5.898,351 3.697,352 2.73,353 3.457,354 0.916,355 8.153,356 2.656,357 3.894,358 3.017,359 5.616,360 3.598,361 2.594,362 3.236,363 0.4,364 7.783,365 2.589,366 3.595,367 2.557,368 5.329,369 3.445,370 2.445,371 2.634,372 0.172,373 6.937,374 2.443,375 3.178,376 2.225,377 4.955,378 3.027,379 2.072,380 2.25,382 5.867,383 1.969,384 2.948,385 2.005,386 4.469,387 2.676,388 1.685,389 2.083,391 4.509,392 1.672,393 2.89,394 1.899,395 4.168,396 2.625,397 1.646,398 1.976,400 3.801,401 1.605,402 2.808,403 1.614,404 3.716,405 2.436,406 1.436,407 1.867,409 3.253,410 1.435,411 2.609,412 1.52,413 3.592,414 2.379,415 1.37,416 1.609,418 3.037,419 1.378,420 2.5,421 1.09,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.072,430 1.077,431 3.271,432 1.984,433 1,434 1.014,436 2.136,437 0.983,438 2,439 1,440 3.247,441 1.849,442 0.869,443 1,445 1.962,446 0.85,447 1.754,448 0.947,449 3.098,450 1.585,451 0.563,452 0.631,454 1.308,455 0.572,456 1.216,457 0.374,458 2.772,459 1.038,460 0.056,461 0.062,463 0.139,464 0.055,465 1.079,466 0.05,467 2.448,468 0.837,469 -0.15,470 -0.167,472 -0.349,473 -0.147,474 13.633,475 0.487,476 0.482,477 0.017,478 31,479 1.107,480 14,481 0.5,482 17,483 0.607,484 27.495,485 0.982,486 30.767,487 0.513,488 19.696,489 0.703,490 5.489,491 0.196,492 8.287,493 0.296,494 0.024,496 0.249,501 0.75,502 1.263,503 0.963,504 1.118,505 0.539,506 1.062,507 0.981,508 1.167,509 1.089,510 1.106,511 0.592,512 1.096,513 1.007,514 1.102,515 1.038,516 1.068,517 0.857,518 1.055,519 1.147,520 1.018,521 1.079,522 1.04,523 1.13,524 1.052,525 0.9,526 0.909,527 0.882,528 0.928,529 1.037,530 0.909,531 1.43,532 0.976,533 1.064,534 1.016,535 1.888,536 1.023,537 1.548,538 1.005,539 1.124,540 1.048,541 2.11,542 1.066,543 1.055,544 1.012,545 1.039,546 1.031,547 1.235,548 1.039,549 4.5,550 0.098,551 2.444,552 1,553 1.197,554 0.691,555 0.368,556 0.276,557 0.175,558 0.113,559 11970,560 22241,561 2.159,562 53.3,563 7,564 16,567 1,568 2,569 6,572 1.702,573 2.1,574 3.697,575 -0.465,582 76.317,583 1.272,584 3.033,585 4.349,586 5.161,587 5.207,588 5.207,589 3.146,590 4.379,591 4.779,592 3.878,593 1466.05,594 8.264,595 20627.5,600 354.413,601 1.018,602 4.772,603 0.145,604 0.005,605 0.06,606 0.023,607 0.036,608 0.022,609 0.013,610 0.011,611 0.008,612 0.005,613 0.327,614 0.5,615 0.88,616 0.343,617 144.599,618 0.019,619 -0.053,620 0.061,621 0.013,622 0.031,623 0.035,624 -0.07,625 -0.031,626 -0.075,627 -0.059,628 0.014,629 -0.064,630 -0.034,631 -0.073,632 -0.045,633 -0.065,634 0.028,635 -0.057,636 -0.08,637 -0.048,638 -0.094,639 -0.073,640 -0.052,641 -0.082,642 0.041,643 0.026,644 0.087,645 0.044,646 -0.004,647 0.066,648 0.01,649 -0.018,650 -0.056,651 -0.034,652 -0.09,653 -0.049,654 -0.029,655 -0.046,656 -0.111,657 -0.062,658 -0.166,659 -0.091,660 -0.066,661 -0.067,662 -0.066,663 -0.049,664 -0.108,665 -0.058,666 1.348,667 5.734,668 0.821,669 30.898,670 0.98,671 1.124,672 4.264,673 18.178,674 0.648,675 3.466,676 3.738,677 3.97,678 4.174,679 4.419,680 4.443,681 4.477,682 4.554,683 4.625,684 4.691,685 7.821,686 0.594,687 376.59,688 3.466,689 4.977,690 5.802,691 6.645,692 7.484,693 8.331,694 9.174,695 10.023,696 10.87,697 11.72,698 3.3,701 1,703 1,715 8,720 4,722 12,727 1,734 1,741 60,743 13,744 2,745 31,747 63,748 25,749 12,750 4,751 8,752 1,756 4,757 5,767 5,768 1,770 7,772 13,773 12,774 1,777 1,782 1,786 1,793 32,794 3,795 1,796 3,802 2,808 0.75,809 1,829 3,830 1,834 1,855 1,859 3,868 28,876 11,877 1,880 1,881 1,893 1.7,896 1,901 13.333,902 10.367,903 6.222,904 4.085,907 2.012,908 1.265,909 0.987,910 6.564,911 9.597,912 3.664,913 4.143,914 4.615,915 5.063,916 5.549,917 5.587,918 5.754,919 5.814,920 5.936,921 6.084,922 0.889,923 43,924 10.463,926 4.414,927 0.026,929 7.417,931 21.095,933 18.036,936 1.917,937 53.667,941 364.904,942 119.421,943 21.135,945 25.145,948 119.421,949 390.049,950 21.135,952 26.165,953 75.81,954 48.289,955 15.438,957 364.904,959 364.904,960 140.557,961 25.145,964 294.278,965 95.772,968 29.289,969 93.257,970 18.011,972 364.904,973 46.28,974 119.421,977 364.904,978 43.611,979 78.934,980 18.011,981 25.145,982 364.904,983 46.28,984 119.421,986 0.568,987 0.325,988 0.171,989 0.098,990 19,991 7,992 0.095,993 6,994 1,995 1.087,996 4.222,997 230.255,998 0.087,999 23,1000 126.606,1005 19.359,1006 9.494,1007 5.317,1009 46.28,1010 16.99,1015 4.843,1017 18.011,1018 530.606,1019 38,1024 12.734,1028 0.318,1031 58.785,1032 67.434,1034 0.215,1035 0.514,1036 0.736,1037 0.874,1038 0.881,1039 0.881,1040 4.883,1041 1.436,1042 5.74,1043 3.801,1044 4.419,1045 4.828,1046 1.806,1047 6.463,1048 4.395,1049 6.015,1050 1.37,1051 7.238,1052 3.253,1053 3.761,1054 4.369,1055 0.325,1056 7.154,1057 3.737,1058 7.271,1059 1,1060 8.833,1061 3.037,1062 5.927,1063 6.838,1064 1.993,1065 10.217,1066 5.883,1067 8.557,1068 1,1069 10.487,1070 2.275,1071 6.111,1072 7.231,1073 0.393,1074 11.75,1075 6.075,1076 9.878,1077 0.869,1078 12.179,1079 2.136,1080 7.683,1081 9.157,1082 2.342,1083 14.279,1084 7.627,1085 11.222,1086 0.563,1087 13.897,1088 1.962,1089 8.285,1090 9.966,1091 0.384,1092 16.171,1093 8.238,1094 12.584,1095 0.056,1096 15.634,1097 1.308,1098 9.582,1099 11.643,1100 2.756,1101 18.502,1102 9.52,1103 2.972,1104 -0.15,1105 17.385,1106 0.139,1107 10.402,1108 12.678,1109 0.351,1110 20.561,1111 10.348,1112 2.73,1113 9.413,1114 19.145,1115 -0.349,1116 11.568,1117 14.222,1118 3.203,1119 22.817,1120 11.504,1121 2.594,1122 8.153,1123 20.914,1124 3.973,1125 12.503,1126 15.388,1127 0.312,1128 24.958,1129 12.445,1130 2.445,1131 7.783,1132 22.69,1133 3.457,1134 13.609,1135 16.858,1136 3.667,1137 27.188,1138 13.545,1139 2.072,1140 6.937,1141 24.471,1142 3.236,1143 14.604,1144 18.104,1145 0.273,1146 29.369,1147 14.545,1148 1.685,1149 5.867,1150 26.257,1151 2.634,1152 15.683,1153 19.531,1154 4.143,1155 31.593,1156 15.622,1157 1.646,1158 4.509,1159 28.047,1160 2.25,1161 16.712,1162 20.826,1163 0.236,1164 33.797,1165 16.654,1166 11100,1167 15215,1168 21.553,1169 38.887,1170 45.168,1171 46.114,1172 45.519,1173 44.893,1174 44.875,1175 54.583,1176 5.533,1177 121.144,1178 44.361,1179 5.331,1180 5.606,1181 6.05,1182 5.007,1183 4.972,1184 6.973,1185 2.555,1186 15.785,1187 4.975,1188 6.667,1189 1.457,1190 1.488,1191 1.468,1192 1.448,1193 1.448,1194 1.761,1195 0.178,1196 3.908,1197 1.431,1198 4.023,1199 4.061,1200 3.955,1201 3.944,1202 7.427,1203 3.942,1204 3.939,1205 3.982,1206 3.858,1207 3.861,1208 4.762,1209 3.855,1210 3.825,1211 3.872,1212 3.71,1213 3.723,1214 4.718,1215 3.713,1216 3.641,1217 3.694,1218 3.52,1219 3.505,1220 4.318,1221 3.497,1222 3.453,1223 3.518,1224 3.307,1225 3.301,1226 4.144,1227 3.295,1228 3.222,1229 3.309,1230 3.085,1231 3.048,1232 3.898,1233 3.047,1234 3.198,1235 3.262,1236 3.028,1237 3.024,1238 3.85,1239 3.012,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.674,1245 2.91,1246 0.14,1247 0.116,1248 0.202,1249 0.128,1250 0.096,1251 4.331,1252 0.128,1253 3.606,1254 0.041,1255 6.248,1256 0.304,1257 3.971,1258 0.096,1259 2.972,1260 3.973,1261 1.277,1262 9.413,1263 2.975,1264 1.956,1265 1.93,1266 2.107,1267 2.074,1268 1.485,1269 2.088,1270 1.926,1271 1.893,1272 2.044,1273 2.023,1274 1.314,1275 2.03,1276 1.832,1277 1.784,1278 2.005,1279 1.945,1280 1.185,1281 1.968,1282 1.668,1283 1.601,1284 1.921,1285 1.854,1286 1.146,1287 1.883,1288 1.504,1289 1.45,1290 1.735,1291 1.704,1292 1.004,1293 1.716,1294 1.255,1295 1.19,1296 1.513,1297 1.463,1298 0.825,1299 1.481,1300 1.153,1301 1.064,1302 1.509,1303 1.376,1304 0.733,1305 1.429,1306 1.135,1307 1.063,1308 1.436,1309 1.339,1310 0.659,1311 1.377,1312 4.143,1314 5.425,1316 6.895,1317 2.708,1318 8.447,1319 5.094,1320 10.041,1328 12.06,1329 3.48,1332 0.693,1333 2.549,1340 35.66,1341 76.317,1342 182.007,1343 260.929,1344 309.659,1345 312.413,1346 312.413,1347 44.704,1348 7.584,1349 32.34,1350 32.34,1351 25,1352 12.278,1353 3.807,1354 3,1355 42.859,1356 134,1357 122,1358 0.154,1359 218.098,1360 382.13,1361 523.92,1362 23826,1364 19.184,1365 0.685,1366 0.601,1367 19.184,1368 16.83,1369 13.776,1370 0.444,1371 0.353,1372 10.875,1373 13.535,1374 10.637,1375 8.799,1376 13.776,1377 10.94,1378 11.912,1379 0.291,1380 0.205,1381 11.912,1382 8.423,1383 10.023,1384 0.193,1385 0.122,1386 10.023,1387 6.351,1388 7.988,1389 0.125,1390 0.071,1391 7.988,1392 4.564,1393 6.75,1394 0.082,1395 0.042,1396 6.75,1397 3.468,1398 0.252,1399 84.3,1400 0.215,1401 27.574,1402 0.394,1403 144,1404 299.714,1405 149.906,1406 298.394,1407 413.16,1408 282,1409 165,1410 300.439,1411 171.49,1412 309.267,1413 448.35,1414 293,1415 6.903}
{0 CHEMBL75274,1 1.229,2 15.947,3 8.976,4 80.576,5 160.407,6 6.335,7 0.512,8 4.444,9 4.582,10 3.89,11 4.038,12 5.321,13 3.97,14 5.044,15 5.243,16 4.228,17 4.471,18 5.842,19 4.364,20 5.375,21 5.642,22 4.333,23 4.619,24 6.102,25 4.485,26 5.363,27 5.625,28 4.278,29 4.595,30 6.109,31 4.457,32 5.361,33 5.618,34 4.198,35 4.618,36 6.066,37 4.46,38 5.428,39 5.698,40 4.063,41 4.636,42 6.065,43 4.433,44 5.451,45 5.757,46 3.877,47 4.551,48 6.014,49 4.31,50 5.315,51 5.637,52 3.712,53 4.374,54 5.849,55 4.131,56 0.096,57 1.143,58 19.177,59 8.03,60 11.314,61 11.562,62 0.191,63 1.961,64 35.091,65 14.178,66 21.595,67 20.688,68 0.319,69 2.562,70 49.098,71 18.422,72 35.3,73 27.549,74 0.422,75 2.569,76 48.946,77 17.472,78 39.756,79 26.371,80 0.345,81 2.531,82 48.496,83 18.308,84 33.295,85 27.234,86 0.297,87 2.587,88 51.145,89 20.96,90 31.797,91 30.53,92 0.287,93 2.515,94 52.076,95 21.552,96 32.085,97 31.396,98 0.264,99 2.162,100 45.486,101 18.461,102 27.71,103 27.057,105 58,106 0.187,107 0.453,108 0.591,109 0.709,110 0.747,111 0.747,112 3.667,113 1.058,114 -6.2,115 -6.04,116 -5.61,121 42.5,123 14,127 2,144 8,145 4,146 2,148 4,176 21,180 8,185 6,187 22,192 8,197 6,200 15,206 4,209 2,211 10,214 18,224 6,227 25,232 2,237 2,239 28,244 2,249 2,251 24,256 2,264 20,269 2,273 1,277 20,281 2696,282 26.932,283 26.932,284 26.932,285 26.932,286 26.932,287 24.357,288 23.565,289 16.646,290 27.155,291 21.356,292 21.356,293 21.356,294 21.356,295 21.356,296 17.308,297 24.816,298 7.989,299 21.739,300 5.093,301 3.34,302 2.43,303 1.65,304 1.4,305 1.4,306 4.395,313 1374,314 3.873,318 560.122,322 640.131,325 2.177,326 15.821,329 0.5,330 0.33,331 0.67,332 0.7,333 0.5,334 0.67,335 0.5,336 0.55,337 78,338 606,339 4.64,340 3.361,341 6.829,342 4.207,343 3.226,344 4.564,345 0.4,346 11.348,347 3.162,348 4.64,349 3.361,350 6.829,351 4.207,352 3.226,353 4.564,354 0.4,355 11.348,356 3.162,357 3.914,358 2.669,359 5.982,360 3.524,361 2.532,362 3.437,364 8.37,365 2.512,366 3.914,367 2.668,368 5.982,369 3.524,370 2.532,371 3.437,373 8.37,374 2.512,375 3.522,376 2.357,377 5.381,378 3.138,379 2.184,380 2.893,382 6.711,383 2.083,384 3.522,385 2.355,386 5.381,387 3.133,388 2.18,389 2.893,391 6.711,392 2.076,393 2.945,394 1.933,395 4.116,396 2.889,397 1.894,398 2.142,400 3.865,401 1.884,402 2.939,403 1.795,404 4.116,405 2.634,406 1.653,407 2.142,409 3.553,410 1.621,411 2.909,412 1.646,413 4,414 2.517,415 1.529,416 1.92,418 3.335,419 1.508,420 2.709,421 1.545,422 3.96,423 2.505,424 1.514,425 1.734,427 3.329,428 1.5,429 2.608,430 1.462,431 3.832,432 2.345,433 1.347,434 1.642,436 3.329,437 1.343,438 2.562,439 1.439,440 3.666,441 2.345,442 1.347,443 1.576,445 3.176,446 1.343,447 2.49,448 1.379,449 3.594,450 2.278,451 1.308,452 1.489,454 2.902,455 1.266,456 2.486,457 1.35,458 3.594,459 2.242,460 1.247,461 1.485,463 2.902,464 1.24,465 2.334,466 1.35,467 3.578,468 2.242,469 1.247,470 1.33,472 2.814,473 1.24,474 18.6,475 0.489,476 0.548,477 0.014,478 44.5,479 1.171,480 21,481 0.553,482 23.5,483 0.618,484 41.855,485 1.101,486 40.8,487 0.51,488 28.779,489 0.757,490 7.34,491 0.193,492 11.542,493 0.304,496 0.269,501 0.992,502 1.209,503 0.96,504 1.069,505 0.817,506 1.023,507 1.005,508 1.256,509 1.032,510 1.14,511 0.844,512 1.097,513 1.117,514 1.06,515 0.872,516 0.913,517 0.928,518 0.883,519 1.52,520 1.019,521 1.054,522 0.95,523 1.26,524 0.968,525 1.497,526 1.019,527 1.175,528 1.043,529 1.302,530 1.08,531 0.978,532 1.065,533 1.176,534 1.162,535 1.082,536 1.178,537 0.703,538 0.974,539 1.023,540 1.061,541 0.884,542 1.062,543 0.719,544 0.876,545 0.924,546 0.941,547 0.807,548 0.945,549 3.5,550 0.107,551 3.333,552 2.25,553 2.16,554 0.708,555 0.478,556 0.229,557 0.172,558 0.134,559 30459,560 54125,561 2.225,562 52.5,563 20,564 12,567 2,568 4,569 4,572 1.778,573 2.192,574 3.814,575 0.018,582 98.303,583 1.229,584 2.982,585 3.891,586 4.672,587 4.922,588 4.922,589 3.005,590 3.616,591 5.232,592 4.122,593 2898.04,594 9.149,595 54919,600 505.754,601 0.831,602 5.222,603 0.081,604 0.004,605 0.057,606 0.036,607 0.037,608 0.013,609 0.011,610 0.007,611 0.006,612 0.005,613 0.257,614 0.33,615 0.5,617 218.283,618 0.026,619 -0.019,620 0.069,621 0.037,622 0.149,623 0.052,624 0.025,625 -0.152,626 -0.02,627 -0.09,628 0.124,629 -0.063,630 0.083,631 -0.036,632 0.135,633 0.066,634 0.172,635 0.097,636 -0.016,637 0.048,638 -0.026,639 0.006,640 -0.008,641 -0.007,642 -0.236,643 0.032,644 -0.164,645 -0.06,646 -0.237,647 -0.099,648 -0.15,649 -0.086,650 -0.2,651 -0.157,652 -0.22,653 -0.178,654 -0.022,655 -0.064,656 -0.066,657 -0.074,658 -0.092,659 -0.073,660 0.016,661 0.018,662 0.033,663 0.029,664 -0.018,665 0.032,666 0.524,667 1.977,668 0.737,669 41.008,670 0.977,671 1.124,672 4.967,673 24.675,674 0.656,675 3.784,676 4.078,677 4.407,678 4.727,679 5.024,680 5.094,681 5.226,682 5.323,683 5.375,684 5.209,685 10.107,686 0.601,687 506.8,688 3.784,689 5.313,690 6.176,691 7.055,692 7.941,693 8.834,694 9.729,695 10.628,696 11.528,697 12.431,698 5,703 2,708 2,714 4,715 8,716 2,720 6,722 22,734 2,741 80,743 22,744 2,745 43,747 85,748 34,749 18,750 4,751 8,756 6,757 12,767 8,770 14,772 18,773 16,793 42,794 4,795 2,796 4,802 4,808 0.333,822 2,829 6,833 4,859 2,868 38,876 16,877 2,901 17.333,902 14.067,903 8.472,904 5.825,907 4.634,908 1.519,909 1.026,910 8.29,911 13.563,912 4.007,913 4.605,914 5.263,915 5.911,916 6.538,917 6.871,918 7.251,919 7.595,920 7.89,921 7.693,922 0.9,923 63,924 14.164,926 6.01,927 0.026,929 7.281,931 28.886,933 24.989,936 1.781,937 67.667,941 470.844,942 142.337,943 69.593,948 142.337,949 470.844,950 69.593,952 39.695,953 75.81,954 69.593,955 26.832,957 470.844,959 470.844,960 211.93,964 423.76,965 47.084,968 49.497,969 92.841,970 69.593,972 470.844,973 69.593,974 142.337,977 470.844,978 66.527,979 75.81,980 36.022,981 33.571,982 470.844,983 69.593,984 142.337,986 0.562,987 0.336,988 0.202,989 0.118,990 28,991 10,992 0.129,993 11,994 4,995 1.286,996 5.128,997 364.265,998 0.286,999 28,1000 161.421,1005 25.472,1006 12.368,1007 5.802,1008 4.877,1009 69.593,1010 17.298,1011 9.953,1015 8.332,1017 36.022,1018 682.774,1019 54,1031 78.196,1032 89.882,1034 0.194,1035 0.472,1036 0.616,1037 0.739,1038 0.779,1039 0.779,1040 5.234,1041 1.653,1042 6.12,1043 3.865,1044 4.762,1045 5.293,1046 0.495,1047 6.936,1048 4.725,1049 6.407,1050 1.529,1051 7.665,1052 3.553,1053 4.111,1054 5.094,1056 7.861,1057 4.05,1058 7.709,1059 1.514,1060 9.325,1061 3.335,1062 6.33,1063 7.56,1064 0.097,1065 11.05,1066 6.253,1067 9.059,1068 1.347,1069 11.059,1070 3.329,1071 6.635,1072 8.307,1074 12.888,1075 6.534,1076 10.454,1077 1.347,1078 12.843,1079 3.329,1080 8.224,1081 10.199,1082 0.016,1083 15.568,1084 8.109,1085 11.88,1086 1.308,1087 14.66,1088 3.176,1089 8.999,1090 11.369,1092 17.754,1093 8.86,1094 13.329,1095 1.247,1096 16.5,1097 2.902,1098 10.326,1099 13.036,1100 0.003,1101 20.269,1102 10.172,1103 3.226,1104 1.247,1105 18.356,1106 2.902,1107 11.322,1108 14.397,1110 22.595,1111 11.144,1112 3.226,1113 11.348,1114 20.224,1115 2.814,1116 12.545,1117 15.974,1119 25.054,1120 12.35,1121 2.532,1122 11.348,1123 22.101,1124 4.564,1125 13.639,1126 17.421,1128 27.437,1129 13.422,1130 2.532,1131 8.37,1132 23.985,1133 4.564,1134 14.825,1135 18.961,1137 29.877,1138 14.588,1139 2.184,1140 8.37,1141 25.874,1142 3.437,1143 15.961,1144 20.447,1146 32.285,1147 15.703,1148 2.18,1149 6.711,1150 27.768,1151 3.437,1152 17.134,1153 21.973,1155 34.717,1156 16.856,1157 1.894,1158 6.711,1159 29.665,1160 2.893,1161 18.289,1162 23.476,1164 37.137,1165 17.99,1166 27290,1167 36544,1168 30.394,1169 52.489,1170 62.793,1171 63.388,1172 64.15,1173 63.009,1174 62.986,1175 80.032,1176 1.6,1177 175.726,1178 61.82,1179 5.608,1180 5.361,1181 6.753,1182 5.247,1183 5.226,1184 7.564,1185 0.8,1186 18.879,1187 5.162,1189 1.46,1190 1.474,1191 1.492,1192 1.465,1193 1.465,1194 1.861,1195 0.037,1196 4.087,1197 1.438,1198 4.136,1199 4.169,1200 4.093,1201 4.062,1202 4.99,1203 4.066,1204 4.088,1205 4.118,1206 4.052,1207 4.018,1208 4.954,1209 4.023,1210 3.782,1211 3.847,1212 3.631,1213 3.665,1214 4.415,1215 3.649,1216 3.732,1217 3.781,1218 3.617,1219 3.649,1220 4.411,1221 3.635,1222 3.732,1223 3.78,1224 3.605,1225 3.643,1226 4.28,1227 3.627,1228 3.603,1229 3.681,1230 3.44,1231 3.445,1232 4.23,1233 3.432,1234 3.396,1235 3.478,1236 3.25,1237 3.227,1238 4.054,1239 3.223,1240 3.263,1241 3.327,1242 3.126,1243 3.145,1244 3.975,1245 3.134,1246 0.108,1247 0.078,1248 0.159,1249 0.098,1250 0.075,1251 4.64,1252 0.106,1253 3.361,1254 0.009,1255 6.829,1256 0.264,1257 4.207,1258 0.074,1259 3.226,1260 4.564,1261 0.4,1262 11.348,1263 3.162,1264 2.072,1265 2.047,1266 2.16,1267 2.163,1268 1.44,1269 2.164,1270 2.072,1271 2.046,1272 2.158,1273 2.162,1274 1.435,1275 2.163,1276 1.793,1277 1.731,1278 2.041,1279 1.953,1280 1.399,1281 1.987,1282 1.754,1283 1.709,1284 1.95,1285 1.873,1286 1.216,1287 1.902,1288 1.754,1289 1.708,1290 1.949,1291 1.872,1292 1.148,1293 1.902,1294 1.61,1295 1.538,1296 1.875,1297 1.806,1298 1.133,1299 1.833,1300 1.383,1301 1.31,1302 1.653,1303 1.608,1304 0.917,1305 1.628,1306 1.27,1307 1.215,1308 1.492,1309 1.44,1310 0.759,1311 1.462,1312 4.466,1314 5.765,1316 7.287,1318 8.925,1320 10.63,1328 19.547,1329 7.659,1340 48.095,1341 98.303,1342 238.535,1343 311.316,1344 373.754,1345 393.754,1346 393.754,1347 52.908,1348 8.928,1349 49.84,1350 49.84,1351 36,1352 12.952,1353 4.524,1354 3.585,1355 53.768,1356 245,1357 142,1358 0.104,1359 290.453,1360 496.6,1361 700.465,1362 149190,1364 25.572,1365 0.673,1366 0.601,1367 25.572,1368 22.827,1369 18.882,1370 0.439,1371 0.353,1372 15.1,1373 18.624,1374 14.814,1375 12.275,1376 18.882,1377 15.17,1378 16.038,1379 0.277,1380 0.194,1381 16.038,1382 11.247,1383 14.107,1384 0.174,1385 0.106,1386 14.107,1387 8.546,1388 12.46,1389 0.111,1390 0.058,1391 12.46,1392 6.533,1393 10.907,1394 0.072,1395 0.033,1396 10.907,1397 5.018,1398 0.174,1399 115.018,1400 0.181,1401 35.574,1402 0.259,1403 202,1404 389.956,1405 209.549,1406 395.178,1407 576.56,1408 378,1409 240,1410 451.014,1411 248.659,1412 461.273,1413 686.02,1414 442,1415 8.796}
{0 CHEMBL75305,1 1.325,2 14.278,3 6.154,4 37.872,5 143.912,6 6.677,7 0.537,8 4.358,9 4.496,10 3.851,11 3.93,12 5.286,13 3.881,14 4.951,15 5.15,16 4.199,17 4.361,18 5.811,19 4.274,20 5.262,21 5.523,22 4.303,23 4.504,24 6.04,25 4.392,26 5.25,27 5.507,28 4.248,29 4.477,30 6.055,31 4.361,32 5.25,33 5.501,34 4.164,35 4.497,36 6.011,37 4.362,38 5.311,39 5.578,40 4.021,41 4.506,42 6.013,43 4.328,44 5.316,45 5.614,46 3.82,47 4.425,48 5.936,49 4.204,50 5.184,51 5.499,52 3.647,53 4.251,54 5.758,55 4.023,56 0.078,57 1.098,58 16.673,59 6.755,60 10.213,61 9.759,62 0.23,63 1.848,64 31.251,65 12.01,66 23.298,67 17.616,68 0.298,69 2.328,70 43.914,71 15.518,72 33.463,73 23.581,74 0.474,75 2.334,76 43.807,77 14.57,78 40.183,79 22.266,80 0.367,81 2.306,82 43.438,83 15.026,84 33.257,85 22.804,86 0.361,87 2.34,88 46.195,89 16.917,90 34.984,91 25.312,92 0.348,93 2.208,94 46.762,95 17.939,96 34.843,97 26.599,98 0.274,99 1.881,100 41.165,101 15.774,102 28.306,103 23.502,105 56,106 0.205,107 0.49,108 0.637,109 0.723,110 0.74,111 0.74,112 3.615,113 1.016,114 -5.52,115 -5.39,116 -5.03,121 41.7,123 12,127 2,144 4,145 4,146 2,147 2,148 2,151 2,176 15,179 2,180 10,185 6,187 14,192 8,197 6,200 9,206 8,209 4,211 8,214 12,219 4,224 4,227 16,232 6,239 20,244 4,248 1,251 18,256 4,264 12,269 4,274 4,277 8,281 2244,282 25.518,283 25.518,284 25.518,285 25.518,286 25.518,287 22.943,288 23.565,289 15.646,290 25.869,291 20.356,292 20.356,293 20.356,294 20.356,295 20.356,296 16.308,297 24.816,298 7.489,299 20.942,300 4.845,301 3.002,302 2.056,303 1.5,304 1.389,305 1.389,306 4.344,312 1,313 1170,314 3.606,318 499.509,322 570.631,325 1.883,326 19.424,329 0.75,330 0.67,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.79,337 75,338 514,339 4.64,340 3.361,341 6.829,342 4.202,343 3.226,344 4.564,345 0.4,346 11.348,347 3.148,348 4.64,349 3.361,350 6.829,351 4.202,352 3.226,353 4.564,354 0.4,355 11.348,356 3.147,357 3.914,358 2.669,359 5.982,360 3.513,361 2.532,362 3.437,364 8.37,365 2.483,366 3.914,367 2.668,368 5.982,369 3.513,370 2.532,371 3.437,373 8.37,374 2.483,375 3.523,376 2.359,377 5.381,378 3.129,379 2.186,380 2.893,382 6.711,383 2.058,384 3.521,385 2.353,386 5.381,387 3.117,388 2.177,389 2.892,391 6.711,392 2.044,393 2.942,394 1.909,395 4.116,396 2.831,397 1.842,398 2.143,400 3.811,401 1.82,402 2.939,403 1.745,404 4.116,405 2.531,406 1.556,407 2.142,409 3.458,410 1.515,411 2.871,412 1.599,413 4,414 2.507,415 1.523,416 1.884,418 3.329,419 1.496,420 2.646,421 1.503,422 3.947,423 2.441,424 1.463,425 1.684,427 3.329,428 1.429,429 2.593,430 1.448,431 3.78,432 2.335,433 1.347,434 1.623,436 3.281,437 1.329,438 2.504,439 1.425,440 3.624,441 2.335,442 1.347,443 1.505,445 3.046,446 1.329,447 2.488,448 1.35,449 3.594,450 2.22,451 1.247,452 1.487,454 2.902,455 1.211,456 2.466,457 1.35,458 3.594,459 2.219,460 1.247,461 1.465,463 2.902,464 1.209,465 2.167,466 1.254,467 3.541,468 2.061,469 1.108,470 1.156,472 2.54,473 1.052,474 17.4,475 0.483,476 0.548,477 0.015,478 44.5,479 1.236,480 21,481 0.583,482 23.5,483 0.653,484 37.253,485 1.035,486 38.4,487 0.533,488 29.198,489 0.811,490 7.497,491 0.208,492 10.385,493 0.288,496 0.287,501 0.926,502 1.309,503 0.89,504 1.089,505 0.731,506 1.004,507 0.892,508 1.206,509 0.972,510 1.111,511 0.76,512 1.059,513 0.974,514 1.119,515 0.831,516 0.936,517 0.808,518 0.882,519 1.294,520 0.991,521 1.037,522 0.943,523 1.144,524 0.963,525 1.411,526 1.046,527 1.179,528 1.05,529 1.305,530 1.086,531 1.185,532 1.02,533 1.227,534 1.135,535 1.257,536 1.177,537 0.783,538 0.919,539 1.076,540 1.078,541 0.952,542 1.099,543 0.665,544 0.884,545 0.942,546 0.988,547 0.777,548 0.99,549 3.5,550 0.058,551 3.333,552 2.25,553 2.16,554 0.708,555 0.478,556 0.229,557 0.172,558 0.114,559 24873,560 48731,561 2.238,562 50,563 16,564 8,566 2,567 2,568 4,569 4,572 1.767,573 2.204,574 3.68,575 0.093,582 95.401,583 1.325,584 3.168,585 4.114,586 4.67,587 4.781,588 4.781,589 2.858,590 3.503,591 5.154,592 3.96,593 2494.74,594 9.007,595 43829.8,600 444.235,601 0.852,602 5.144,603 0.085,604 0.002,605 0.06,606 0.037,607 0.039,608 0.014,609 0.011,610 0.007,611 0.006,612 0.004,613 0.265,614 0.17,615 0.63,617 201.171,618 0.01,619 -0.101,620 0.074,621 0.003,622 0.161,623 0.037,624 0.102,625 -0.094,626 0.004,627 -0.072,628 0.182,629 -0.048,630 0.071,631 -0.109,632 0.161,633 0.05,634 0.176,635 0.103,636 0.024,637 0.068,638 -0.024,639 0.009,640 -0.001,641 -0.008,642 -0.236,643 0.005,644 -0.182,645 -0.074,646 -0.256,647 -0.115,648 -0.219,649 -0.028,650 -0.247,651 -0.145,652 -0.286,653 -0.189,654 -0.035,655 -0.014,656 -0.109,657 -0.081,658 -0.124,659 -0.098,660 0.022,661 -0.017,662 0.025,663 0.004,664 -0.014,665 0.013,666 0.784,667 1.859,668 0.778,669 34.704,670 0.984,671 1.128,672 4.285,673 18.362,674 0.659,675 3.738,676 4.043,677 4.382,678 4.71,679 5.011,680 5.081,681 5.215,682 5.313,683 5.366,684 5.198,685 9.07,686 0.612,687 480.72,688 3.738,689 5.273,690 6.142,691 7.027,692 7.918,693 8.815,694 9.713,695 10.616,696 11.518,697 12.422,698 8.3,703 2,708 4,714 4,715 6,716 4,720 6,722 22,734 2,741 72,743 22,745 41,747 77,748 30,749 16,756 6,757 12,767 8,770 12,772 16,773 14,793 36,794 6,795 2,796 6,802 6,808 0.333,822 4,829 6,833 4,859 2,868 36,876 14,877 2,901 16.333,902 12.8,903 7.972,904 5.169,907 4.671,908 1.526,909 1.032,910 7.162,911 13.558,912 3.97,913 4.585,914 5.252,915 5.906,916 6.535,917 6.869,918 7.25,919 7.594,920 7.889,921 7.692,922 0.889,923 61,924 13.388,926 5.719,927 0.026,929 7.352,931 26.994,933 23.271,936 1.852,937 66.667,941 400.217,942 116.6,943 103.164,948 116.6,949 400.217,950 103.164,952 34.626,953 37.905,954 126.706,955 44.07,957 376.675,959 400.217,960 219.764,964 356.564,965 47.084,968 58.234,969 54.936,970 103.164,972 400.217,973 103.164,974 116.6,977 400.217,978 60.6,979 56,980 36.022,981 67.142,982 400.217,983 103.164,984 116.6,986 0.566,987 0.341,988 0.206,989 0.121,990 28,991 10,992 0.117,993 9,994 4,995 1.286,996 4.893,997 347.242,998 0.286,999 28,1000 150.117,1005 23.463,1006 10.989,1007 5.015,1008 4.106,1009 103.164,1010 12.074,1011 18.784,1015 7.922,1017 36.022,1018 619.981,1019 52,1031 70.865,1032 81.218,1034 0.215,1035 0.514,1036 0.667,1037 0.757,1038 0.775,1039 0.775,1040 5.201,1041 1.556,1042 6.094,1043 3.811,1044 4.727,1045 5.273,1046 0.495,1047 6.921,1048 4.671,1049 6.384,1050 1.523,1051 7.646,1052 3.458,1053 4.111,1054 5.094,1056 7.861,1057 4.031,1058 7.692,1059 1.463,1060 9.312,1061 3.329,1062 6.308,1063 7.554,1064 0.097,1065 11.047,1066 6.199,1067 9.047,1068 1.347,1069 11.051,1070 3.329,1071 6.635,1072 8.307,1074 12.888,1075 6.504,1076 10.446,1077 1.347,1078 12.838,1079 3.281,1080 8.213,1081 10.197,1082 0.016,1083 15.568,1084 8.057,1085 11.874,1086 1.247,1087 14.657,1088 3.046,1089 8.999,1090 11.369,1092 17.754,1093 8.821,1094 13.326,1095 1.247,1096 16.498,1097 2.902,1098 10.321,1099 13.036,1100 0.003,1101 20.269,1102 10.12,1103 3.226,1104 1.108,1105 18.355,1106 2.902,1107 11.322,1108 14.397,1110 22.595,1111 11.097,1112 3.226,1113 11.348,1114 20.223,1115 2.54,1116 12.543,1117 15.974,1119 25.054,1120 12.295,1121 2.532,1122 11.348,1123 22.1,1124 4.564,1125 13.639,1126 17.421,1128 27.437,1129 13.367,1130 2.532,1131 8.37,1132 23.984,1133 4.564,1134 14.824,1135 18.961,1137 29.877,1138 14.528,1139 2.186,1140 8.37,1141 25.874,1142 3.437,1143 15.961,1144 20.447,1146 32.285,1147 15.64,1148 2.177,1149 6.711,1150 27.768,1151 3.437,1152 17.134,1153 21.973,1155 34.717,1156 16.789,1157 1.842,1158 6.711,1159 29.665,1160 2.893,1161 18.289,1162 23.476,1164 37.137,1165 17.919,1166 22240,1167 31314,1168 29.008,1169 47.455,1170 60.276,1171 60.857,1172 61.575,1173 60.454,1174 60.438,1175 77.483,1176 1.6,1177 170.627,1178 58.701,1179 5.601,1180 5.361,1181 6.716,1182 5.251,1183 5.226,1184 7.564,1185 0.8,1186 18.879,1187 5.148,1189 1.47,1190 1.484,1191 1.502,1192 1.474,1193 1.474,1194 1.89,1195 0.039,1196 4.162,1197 1.432,1198 4.123,1199 4.16,1200 4.084,1201 4.027,1202 5.073,1203 4.036,1204 4.075,1205 4.11,1206 4.043,1207 3.983,1208 5.042,1209 3.993,1210 3.746,1211 3.815,1212 3.612,1213 3.617,1214 4.474,1215 3.609,1216 3.719,1217 3.772,1218 3.606,1219 3.615,1220 4.465,1221 3.606,1222 3.717,1223 3.77,1224 3.58,1225 3.612,1226 4.284,1227 3.595,1228 3.51,1229 3.594,1230 3.356,1231 3.323,1232 4.222,1233 3.318,1234 3.301,1235 3.374,1236 3.172,1237 3.153,1238 4.023,1239 3.149,1240 3.211,1241 3.273,1242 3.078,1243 3.087,1244 3.976,1245 3.076,1246 0.113,1247 0.082,1248 0.167,1249 0.102,1250 0.079,1251 4.64,1252 0.111,1253 3.361,1254 0.01,1255 6.829,1256 0.277,1257 4.202,1258 0.077,1259 3.226,1260 4.564,1261 0.4,1262 11.348,1263 3.148,1264 2.045,1265 2.014,1266 2.137,1267 2.159,1268 1.431,1269 2.153,1270 2.043,1271 2.013,1272 2.133,1273 2.156,1274 1.427,1275 2.15,1276 1.757,1277 1.693,1278 2.009,1279 1.927,1280 1.362,1281 1.958,1282 1.726,1283 1.677,1284 1.912,1285 1.864,1286 1.117,1287 1.886,1288 1.725,1289 1.676,1290 1.906,1291 1.863,1292 1.07,1293 1.883,1294 1.497,1295 1.419,1296 1.766,1297 1.723,1298 1.015,1299 1.741,1300 1.283,1301 1.221,1302 1.513,1303 1.49,1304 0.753,1305 1.503,1306 1.216,1307 1.16,1308 1.457,1309 1.377,1310 0.749,1311 1.398,1312 4.419,1314 5.727,1316 7.259,1318 8.906,1320 10.618,1328 16.225,1329 7.555,1340 44.03,1341 95.401,1342 228.119,1343 296.235,1344 336.235,1345 344.235,1346 344.235,1347 48.415,1348 8.887,1349 75.62,1350 75.62,1351 36,1352 12.942,1353 4.524,1354 3.585,1355 49.519,1356 208,1357 124,1358 0.114,1359 265.672,1360 449.4,1361 640,1362 134385,1364 24.158,1365 0.671,1366 0.588,1367 24.158,1368 21.152,1369 17.882,1370 0.436,1371 0.339,1372 13.788,1373 17.489,1374 13.551,1375 11.199,1376 17.882,1377 13.89,1378 15.331,1379 0.274,1380 0.183,1381 15.331,1382 10.255,1383 13.607,1384 0.172,1385 0.099,1386 13.607,1387 7.782,1388 12.107,1389 0.11,1390 0.054,1391 12.107,1392 5.942,1393 10.657,1394 0.072,1395 0.031,1396 10.657,1397 4.546,1398 0.188,1399 109.926,1400 0.186,1401 33.678,1402 0.29,1403 194,1404 421.246,1405 205.101,1406 421.216,1407 609.84,1408 402,1409 232,1410 475.944,1411 244.323,1412 483.681,1413 720.06,1414 462,1415 8.319}
{0 CHEMBL75649,1 1.414,2 13.222,3 5.029,4 25.295,5 114.283,6 7.092,7 0.4,8 4.06,9 4.186,10 3.595,11 3.662,12 4.997,13 3.601,14 4.655,15 4.843,16 3.958,17 4.098,18 5.529,19 4.003,20 4.974,21 5.21,22 3.957,23 4.247,24 5.814,25 4.095,26 5.016,27 5.286,28 3.747,29 4.165,30 5.789,31 3.979,32 4.919,33 5.21,34 3.675,35 4.042,36 5.656,37 3.865,38 4.788,39 5.032,40 3.677,41 3.973,42 5.698,43 3.819,44 4.744,45 4.999,46 3.575,47 3.933,48 5.57,49 3.753,50 4.67,51 4.944,52 3.505,53 3.863,54 5.373,55 3.661,56 0.044,57 0.742,58 11.99,59 5.323,60 5.286,61 7.389,62 0.141,63 1.284,64 23.542,65 9.319,66 13.925,67 13.148,68 0.243,69 1.621,70 35.551,71 13.298,72 33.888,73 18.581,74 0.284,75 1.617,76 37.564,77 13.902,78 38.655,79 19.481,80 0.232,81 1.457,82 33.02,83 12.611,84 27.469,85 17.837,86 0.351,87 1.267,88 30.506,89 10.897,90 40.935,91 14.974,92 0.288,93 1.22,94 28.025,95 10.643,96 37,97 14.702,98 0.184,99 1.114,100 29.618,101 10.366,102 21.614,103 14.46,104 5,105 41,106 0.236,107 0.547,108 0.747,109 0.842,110 0.842,111 0.842,112 3.339,113 1.042,114 -5.55,115 -5.43,116 -5.07,121 42.6,123 5,124 1,127 4,144 7,145 3,146 2,159 1,176 13,180 5,185 3,187 16,192 6,197 2,200 13,206 6,211 1,214 9,219 4,227 12,232 1,235 1,237 1,239 14,243 1,244 1,249 1,251 10,256 2,261 1,264 8,269 3,274 2,277 4,281 1145,282 18.463,283 18.463,284 18.463,285 18.463,286 18.463,287 16.872,288 23.349,289 10.937,290 18.74,291 14.814,292 14.814,293 14.814,294 14.814,295 14.814,296 12.349,297 27.225,298 5.245,299 15.296,300 4.341,301 2.473,302 1.272,303 0.704,304 0.704,305 0.704,306 4.04,308 1,311 1,312 1,313 789,314 3.082,317 74.111,318 275.148,321 127.844,325 2.214,326 18.32,329 0.75,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.89,337 56.333,338 357,339 4.342,340 3.607,341 6.257,342 3.986,343 2.989,344 3.981,345 1.277,346 9.438,347 2.985,348 4.032,349 3.075,350 5.904,351 3.711,352 2.747,353 3.62,354 0.916,355 8.171,356 2.666,357 3.908,358 3.053,359 5.628,360 3.621,361 2.619,362 3.247,363 0.4,364 7.816,365 2.604,366 3.651,367 2.878,368 5.356,369 3.489,370 2.513,371 2.787,372 0.172,373 7.004,374 2.459,375 3.415,376 2.491,377 5.079,378 3.148,379 2.224,380 2.558,382 6.221,383 2.017,384 3.074,385 2.173,386 4.784,387 2.823,388 1.898,389 2.124,391 5.383,392 1.683,393 2.893,394 1.958,395 4.405,396 2.528,397 1.535,398 2.027,400 4.286,401 1.525,402 2.848,403 1.759,404 4.163,405 2.491,406 1.487,407 1.885,409 3.775,410 1.482,411 2.5,412 1.251,413 3.437,414 2.022,415 1.056,416 1.5,418 2.384,419 1.017,420 2.178,421 1.099,422 3.414,423 2,424 1,425 1.151,427 2.275,428 1,429 2,430 1.077,431 3.414,432 1.984,433 1,434 1,436 2.275,437 0.983,438 1.778,439 1,440 3.152,441 1.621,442 0.612,443 0.681,445 1.422,446 0.612,447 1.62,448 0.733,449 3.004,450 1.357,451 0.376,452 0.443,454 0.923,455 0.365,456 1.394,457 0.6,458 2.838,459 1.131,460 0.184,461 0.211,463 0.436,464 0.161,465 0.884,466 0.178,467 2.392,468 0.632,469 -0.294,470 -0.329,472 -0.655,473 -0.235,474 13.348,475 0.494,476 0.588,477 0.022,478 30.75,479 1.139,480 14,481 0.519,482 16.75,483 0.62,484 25.614,485 0.949,486 29.252,487 0.542,488 19.31,489 0.715,490 5.561,491 0.206,492 7.608,493 0.282,494 0.078,496 0.292,501 0.657,502 1.241,503 0.716,504 1.003,505 0.512,506 0.975,507 0.848,508 1.134,509 0.816,510 0.985,511 0.543,512 1.006,513 0.965,514 1.106,515 0.979,516 1.082,517 0.863,518 1.093,519 0.975,520 1.027,521 0.907,522 1.029,523 1.1,524 1.046,525 0.749,526 0.892,527 0.628,528 0.85,529 0.942,530 0.858,531 1.259,532 0.983,533 0.971,534 1.036,535 1.813,536 1.041,537 1.121,538 0.991,539 0.876,540 0.972,541 1.589,542 1.046,543 0.776,544 0.987,545 1.154,546 1.064,547 0.605,548 1.032,549 5.5,550 0.114,551 2.889,552 1.007,553 1.253,554 0.621,555 0.453,556 0.298,557 0.174,558 0.143,559 11021,560 25672,561 2.142,562 50,563 3,564 15,567 1,568 2,569 6,572 1.691,573 2.051,574 3.679,575 -0.419,582 76.34,583 1.414,584 3.282,585 4.483,586 5.051,587 5.051,588 5.051,589 3.134,590 4.459,591 4.727,592 3.864,593 1356.27,594 8.154,595 18648.3,597 1,600 310.764,601 1.218,602 4.706,603 0.183,604 0.006,605 0.07,606 0.026,607 0.042,608 0.021,609 0.016,610 0.012,611 0.008,612 0.007,613 0.393,614 0.5,615 0.88,616 0.454,617 138.056,618 -0.003,619 -0.057,620 0.034,621 0.012,622 0.015,623 0.033,624 -0.063,625 -0.004,626 -0.018,627 -0.012,628 0.036,629 -0.028,630 -0.072,631 -0.091,632 -0.089,633 -0.107,634 0.017,635 -0.113,636 -0.058,637 -0.073,638 -0.06,639 -0.072,640 -0.054,641 -0.073,642 0.052,643 0.043,644 0.129,645 0.093,646 0.013,647 0.115,648 0.028,649 -0.023,650 -0.07,651 -0.07,652 -0.117,653 -0.077,654 -0.037,655 -0.037,656 -0.043,657 -0.01,658 -0.16,659 -0.075,660 -0.008,661 -0.058,662 -0.04,663 -0.052,664 -0.028,665 -0.025,666 1.367,667 5.579,668 0.778,669 28.971,670 0.988,671 1.121,672 4.324,673 18.696,674 0.671,675 3.434,676 3.738,677 3.97,678 4.174,679 4.382,680 4.369,681 4.454,682 4.522,683 4.466,684 4.564,685 7.729,686 0.619,687 382.97,688 3.434,689 4.963,690 5.796,691 6.65,692 7.496,693 8.351,694 9.201,695 10.056,696 10.909,697 11.764,698 3.7,701 1,703 1,715 7,720 5,722 12,727 1,734 1,740 1,741 54,743 13,744 2,745 30,747 57,748 23,749 12,750 5,751 7,752 1,756 4,757 5,758 1,767 3,768 1,770 5,772 13,773 10,774 1,777 1,782 1,786 1,793 27,794 3,795 1,796 4,797 1,802 2,808 0.75,809 1,828 1,829 3,832 1,855 1,859 3,865 1,868 27,876 9,877 1,880 1,881 1,892 1,893 1.9,896 1,901 13.167,902 9.426,903 5.889,904 3.565,907 2.024,908 1.271,909 0.995,910 5.92,911 9.492,912 3.638,913 4.159,914 4.64,915 5.092,916 5.577,917 5.612,918 5.759,919 5.802,920 5.684,921 5.869,922 0.889,923 38,924 10.056,926 4.288,927 0.026,929 7.516,931 20.023,933 17.18,936 2.016,937 54.444,940 1,941 306.049,942 108.377,943 21.135,944 39.149,945 25.145,948 108.377,949 370.342,950 21.135,952 21.095,953 66.334,954 48.289,955 18.938,957 306.049,958 39.149,959 306.049,960 129.512,961 25.145,962 39.149,964 235.422,965 95.772,968 24.22,969 87.281,970 57.159,972 306.049,973 46.28,974 147.525,977 306.049,978 42.043,979 69.458,980 18.011,981 64.294,982 306.049,983 46.28,984 147.525,986 0.581,987 0.331,988 0.168,989 0.093,990 20,991 8,992 0.105,993 6,994 1,995 1.095,996 4.139,997 219.281,998 0.095,999 21,1000 120.382,1005 18.677,1006 8.558,1007 4.787,1009 46.28,1010 14.276,1015 5.481,1017 18.011,1018 499.854,1019 37,1024 12.579,1028 0.299,1031 53.341,1032 60.548,1034 0.246,1035 0.57,1036 0.779,1037 0.878,1038 0.878,1039 0.878,1040 4.875,1041 1.487,1042 5.759,1043 4.286,1044 4.419,1045 4.844,1046 1.806,1047 6.503,1048 4.365,1049 6.034,1050 1.056,1051 7.276,1052 3.775,1053 3.892,1054 4.527,1055 0.325,1056 7.235,1057 3.793,1058 7.31,1059 1,1060 8.884,1061 2.384,1062 5.958,1063 6.9,1064 1.993,1065 10.268,1066 5.871,1067 8.614,1068 1,1069 10.545,1070 2.275,1071 6.236,1072 7.387,1073 0.393,1074 11.807,1075 6.127,1076 9.95,1077 0.612,1078 12.24,1079 2.275,1080 7.742,1081 9.249,1082 2.342,1083 14.323,1084 7.636,1085 11.306,1086 0.376,1087 13.958,1088 1.422,1089 8.398,1090 10.115,1091 0.384,1092 16.214,1093 8.285,1094 12.677,1095 0.184,1096 15.693,1097 0.923,1098 9.66,1099 11.752,1100 2.756,1101 18.541,1102 9.545,1103 2.989,1104 -0.294,1105 17.441,1106 0.436,1107 10.509,1108 12.821,1109 0.351,1110 20.599,1111 10.394,1112 2.747,1113 9.438,1114 19.198,1115 -0.655,1116 11.658,1117 14.341,1118 3.203,1119 22.854,1120 11.541,1121 2.619,1122 8.171,1123 20.964,1124 3.981,1125 12.609,1126 15.528,1127 0.312,1128 24.995,1129 12.493,1130 2.513,1131 7.816,1132 22.737,1133 3.62,1134 13.708,1135 16.982,1136 3.667,1137 27.226,1138 13.59,1139 2.224,1140 7.004,1141 24.516,1142 3.247,1143 14.713,1144 18.24,1145 0.273,1146 29.409,1147 14.597,1148 1.898,1149 6.221,1150 26.299,1151 2.787,1152 15.79,1153 19.657,1154 4.143,1155 31.634,1156 15.673,1157 1.535,1158 5.383,1159 28.087,1160 2.558,1161 16.825,1162 20.958,1163 0.236,1164 33.84,1165 16.71,1166 10210,1167 15689,1168 20.572,1169 36.222,1170 44.731,1171 46.04,1172 45.138,1173 44.663,1174 44.478,1175 54.432,1176 5.533,1177 123.622,1178 43.118,1179 5.342,1180 5.607,1181 5.766,1182 5.021,1183 4.989,1184 6.981,1185 2.555,1186 15.798,1187 4.985,1188 9.796,1189 1.491,1190 1.535,1191 1.505,1192 1.489,1193 1.483,1194 1.814,1195 0.184,1196 4.121,1197 1.437,1198 4.031,1199 4.066,1200 4.008,1201 3.952,1202 7.427,1203 3.951,1204 3.947,1205 3.988,1206 3.956,1207 3.874,1208 4.941,1209 3.867,1210 3.828,1211 3.871,1212 3.751,1213 3.728,1214 4.747,1215 3.717,1216 3.585,1217 3.633,1218 3.505,1219 3.423,1220 4.4,1221 3.428,1222 3.356,1223 3.427,1224 3.371,1225 3.204,1226 4.238,1227 3.194,1228 3.173,1229 3.232,1230 3.152,1231 3.038,1232 4.082,1233 3.024,1234 3.111,1235 3.206,1236 2.936,1237 2.941,1238 3.832,1239 2.91,1240 2.952,1241 3.013,1242 2.866,1243 2.812,1244 3.68,1245 2.803,1246 0.145,1247 0.12,1248 0.209,1249 0.133,1250 0.1,1251 4.342,1252 0.133,1253 3.607,1254 0.043,1255 6.257,1256 0.315,1257 3.986,1258 0.099,1259 2.989,1260 3.981,1261 1.277,1262 9.438,1263 2.985,1264 1.942,1265 1.912,1266 2.102,1267 2.07,1268 1.485,1269 2.084,1270 1.912,1271 1.889,1272 2.011,1273 1.994,1274 1.21,1275 2.001,1276 1.825,1277 1.78,1278 1.971,1279 1.928,1280 1.157,1281 1.948,1282 1.492,1283 1.437,1284 1.748,1285 1.698,1286 1.026,1287 1.719,1288 1.461,1289 1.385,1290 1.707,1291 1.677,1292 0.938,1293 1.691,1294 1.196,1295 1.145,1296 1.513,1297 1.397,1298 0.825,1299 1.429,1300 1.153,1301 1.064,1302 1.428,1303 1.376,1304 0.675,1305 1.412,1306 0.979,1307 0.923,1308 1.218,1309 1.183,1310 0.426,1311 1.204,1312 4.111,1314 5.416,1315 2.398,1316 6.905,1317 4.595,1318 8.472,1319 6.581,1320 10.078,1323 5.961,1328 9.315,1329 3.352,1332 0.673,1333 2.509,1340 33.434,1341 76.34,1342 177.241,1343 242.093,1344 272.764,1345 272.764,1346 272.764,1347 42.941,1348 7.469,1349 32.34,1350 32.34,1351 23,1352 12.319,1353 3.807,1354 3,1355 40.664,1356 127,1357 121,1358 0.153,1359 207.247,1360 362.74,1361 497.442,1362 20165,1363 1.9,1364 18.64,1365 0.69,1366 0.61,1367 19.14,1368 16.472,1369 13.17,1370 0.439,1371 0.347,1372 10.004,1373 12.62,1374 9.75,1375 8.015,1376 13.459,1377 10.418,1378 11.827,1379 0.288,1380 0.202,1381 12.235,1382 8.293,1383 9.934,1384 0.191,1385 0.119,1386 10.222,1387 6.195,1388 7.782,1389 0.122,1390 0.068,1391 7.949,1392 4.365,1393 6.383,1394 0.081,1395 0.041,1396 6.618,1397 3.221,1398 0.251,1399 83.838,1400 0.22,1401 26.796,1402 0.391,1403 142,1404 325.917,1405 163.425,1406 352.163,1407 472.99,1408 330,1409 164,1410 319.302,1411 180.248,1412 337.456,1413 490.13,1414 319,1415 5.197}
{0 CHEMBL7568,1 1.444,2 10.464,3 5.666,4 32.105,5 118.962,6 6.897,7 0.533,8 4.118,9 4.251,10 3.619,11 3.658,12 5.094,13 3.602,14 4.684,15 4.891,16 3.967,17 4.039,18 5.578,19 3.958,20 4.93,21 5.167,22 4.072,23 4.215,24 5.788,25 4.11,26 5.016,27 5.26,28 4.043,29 4.275,30 5.841,31 4.137,32 5.11,33 5.386,34 4.015,35 4.311,36 5.86,37 4.147,38 5.09,39 5.356,40 4.037,41 4.293,42 5.861,43 4.133,44 5.069,45 5.328,46 3.927,47 4.234,48 5.881,49 4.06,50 5.026,51 5.308,52 3.747,53 4.102,54 5.778,55 3.9,56 0.051,57 0.808,58 13.39,59 5.545,60 9.666,61 7.825,62 0.201,63 1.297,64 25.526,65 8.942,66 22.852,67 12.95,68 0.303,69 1.603,70 34.636,71 11.239,72 30.45,73 16.507,74 0.313,75 1.718,76 36.686,77 13.044,78 34.215,79 18.999,80 0.383,81 1.803,82 39.646,83 14.818,84 35.926,85 21.479,86 0.289,87 1.751,88 39.698,89 14.463,90 34.91,91 20.899,92 0.33,93 1.684,94 40.642,95 13.641,96 41.83,97 19.606,98 0.38,99 1.494,100 40.909,101 13.222,102 40.949,103 18.734,104 41,105 41,106 0.237,107 0.536,108 0.735,109 0.84,110 0.84,111 0.84,112 3.375,113 1.049,114 -5.14,115 -5.03,116 -4.71,121 39.7,122 3,123 2,126 1,127 3,129 1,144 6,145 2,146 3,148 2,176 5,180 9,185 4,187 9,192 6,197 3,200 7,206 2,209 1,211 3,214 13,218 1,219 2,222 2,224 1,227 13,232 3,237 1,239 12,244 7,249 2,251 10,256 3,264 3,268 1,269 4,277 5,281 1422,282 19.058,283 19.058,284 19.058,285 19.058,286 19.058,287 17.238,288 23.499,289 11.187,290 19.673,291 14.618,292 14.618,293 14.618,294 14.618,295 14.618,296 11.76,297 31.845,298 5.095,299 15.488,300 4.414,301 2.596,302 1.385,303 0.742,304 0.742,305 0.742,306 4.057,308 1,312 1,313 613,314 4.062,318 184.538,322 211.112,325 1.503,326 16.752,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 58.833,338 293,339 4.713,340 3.316,341 6.846,342 4.231,343 3.253,344 4.747,345 0.86,346 11.429,347 3.179,348 4.141,349 2.943,350 6.033,351 3.647,352 2.68,353 3.912,354 0.8,355 8.621,356 2.592,357 3.719,358 2.792,359 5.486,360 3.426,361 2.485,362 3.152,363 0.4,364 7.145,365 2.345,366 3.565,367 2.766,368 5.273,369 3.327,370 2.402,371 2.976,373 6.649,374 2.214,375 3.457,376 2.484,377 5.222,378 3.157,379 2.229,380 2.698,382 6.487,383 2.056,384 3.371,385 2.302,386 4.979,387 3.018,388 2.072,389 2.46,391 5.852,392 1.953,393 3.21,394 2.015,395 4.868,396 2.829,397 1.908,398 2.256,400 5.452,401 1.672,402 2.775,403 1.307,404 4.137,405 2.272,406 1.28,407 1.91,409 3.435,410 1.267,411 2.324,412 1.252,413 3.769,414 2.153,415 1.175,416 1.283,418 2.649,419 1.147,420 2.108,421 1.09,422 3.336,423 1.816,424 0.843,425 1.058,427 2.043,428 0.81,429 1.776,430 0.944,431 3.091,432 1.591,433 0.618,434 0.662,436 1.052,437 0.6,438 1.618,439 0.744,440 2.795,441 1.455,442 0.579,443 0.618,445 0.791,446 0.501,447 1.394,448 0.389,449 2.653,450 1.123,451 0.171,452 0.188,454 0.322,455 0.161,456 1.198,457 0.27,458 2.618,459 0.947,465 1.106,466 0.134,467 2.614,468 0.71,469 -0.172,470 -0.222,472 -0.389,473 -0.126,474 13.748,475 0.491,476 0.622,477 0.022,478 32.5,479 1.161,480 15,481 0.536,482 17.5,483 0.625,484 28.698,485 1.025,486 31.252,487 0.539,488 22.933,489 0.819,490 6.049,491 0.216,492 7.501,493 0.268,494 0.197,496 0.32,501 0.832,502 1.424,503 0.757,504 1.132,505 0.827,506 1.062,507 1.184,508 1.138,509 0.767,510 0.874,511 0.738,512 0.874,513 1.194,514 0.997,515 0.928,516 0.855,517 0.902,518 0.871,519 0.758,520 1.096,521 0.855,522 1.035,523 0.762,524 1.038,525 0.49,526 0.896,527 0.679,528 0.879,529 0.579,530 0.906,531 0.654,532 1.038,533 0.742,534 0.975,535 0.656,536 0.969,537 1.14,538 1.086,539 1.063,540 1.093,541 1.153,542 1.118,543 1.323,544 0.957,545 1.088,546 0.983,547 1.274,548 1.009,549 6,550 0.157,551 2.889,552 1.813,553 1.862,554 1.083,555 0.81,556 0.401,557 0.275,558 0.231,559 8834,560 19957,561 2.013,562 51.7,564 16,567 1,569 13,572 1.715,573 1.867,574 3.333,575 -0.394,582 83.759,583 1.444,584 3.262,585 4.473,586 5.116,587 5.116,588 5.116,589 2.727,590 4.495,591 4.772,592 3.541,593 1338.48,594 8.328,595 17697.7,600 339.763,601 1.47,602 4.727,603 0.2,604 0.007,605 0.07,606 0.04,607 0.044,608 0.026,609 0.02,610 0.012,611 0.011,612 0.01,613 0.441,614 0.33,615 1,616 1.991,617 139.946,618 0.011,619 -0.178,620 0.037,621 -0.066,622 -0.038,623 -0.013,624 -0.074,625 -0.006,626 0.086,627 0.106,628 0.145,629 0.107,630 -0.122,631 0.1,632 0.013,633 0.108,634 0.048,635 0.097,636 0.041,637 -0.038,638 -0.008,639 -0.057,640 0.064,641 -0.049,642 0.175,643 0.094,644 0.105,645 0.085,646 0.128,647 0.081,648 0.082,649 -0.052,650 0.093,651 0.003,652 0.116,653 0.024,654 -0.11,655 -0.082,656 -0.107,657 -0.124,658 -0.109,659 -0.146,660 -0.125,661 -0.042,662 -0.053,663 -0.016,664 -0.163,665 -0.045,666 0.98,667 2.105,668 0.5,669 28.184,670 0.988,671 1.129,672 3.908,673 15.273,674 0.655,675 3.434,676 3.738,677 4.007,678 4.277,679 4.585,680 4.745,681 4.883,682 5.03,683 5.124,684 5.037,685 6.435,686 0.603,687 400.01,688 3.434,689 4.963,690 5.808,691 6.686,692 7.56,693 8.452,694 9.34,695 10.241,696 11.138,697 12.045,698 5.2,701 1,703 1,708 1,714 4,715 6,716 1,720 3,722 16,734 1,739 1,740 1,741 58,743 16,744 2,745 30,747 60,748 23,749 13,750 6,751 6,756 3,757 6,758 1,763 3,770 3,772 13,773 10,793 30,794 4,795 1,796 5,797 1,802 3,808 0.333,809 1,822 1,829 3,833 2,855 1,859 1,864 4,865 1,868 28,876 5,877 1,878 1,880 1,881 1,892 1,893 1.7,898 1,901 15,902 11.543,903 6.444,904 3.929,907 3.543,908 1.472,909 0.957,910 7.249,911 11.044,912 3.664,913 4.284,914 4.929,915 5.608,916 6.317,917 6.794,918 7.294,919 7.802,920 8.239,921 8.357,922 0.857,923 45,924 10.347,926 4.199,927 0.026,929 7.486,931 20.386,933 16.427,936 1.986,937 55.611,941 341.362,942 126.537,943 37.921,944 39.149,945 11,948 126.537,949 391.51,950 37.921,951 37.359,952 11.386,953 56.857,954 34.796,955 35.059,957 341.362,958 39.149,959 341.362,960 164.458,961 11,962 39.149,964 188.338,965 164.024,968 45.274,969 84.387,970 73.945,972 341.362,973 48.92,974 165.686,977 341.362,978 32.321,979 97.34,980 18.011,981 66.934,982 341.362,983 48.92,984 165.686,986 0.568,987 0.338,988 0.178,989 0.102,990 18,991 9,992 0.15,993 9,994 2,995 1.286,996 3.854,997 239.054,998 0.286,999 14,1000 127.851,1005 21.006,1006 9.663,1007 5.024,1008 4.002,1009 48.92,1010 11.911,1011 4.803,1015 2.636,1017 18.011,1018 555.968,1019 38,1031 57.327,1032 65.461,1034 0.247,1035 0.557,1036 0.764,1037 0.873,1038 0.873,1039 0.873,1040 4.89,1041 1.28,1042 5.79,1043 5.452,1044 4.419,1045 4.97,1046 1.324,1047 6.6,1048 4.317,1049 6.096,1050 1.175,1051 7.348,1052 3.435,1053 4.007,1054 4.902,1055 0.325,1056 7.516,1057 3.832,1058 7.411,1059 0.843,1060 9.004,1061 2.649,1062 6.009,1063 7.272,1064 0.958,1065 10.621,1066 5.834,1067 8.766,1068 0.618,1069 10.718,1070 2.043,1071 6.399,1072 8.053,1073 0.268,1074 12.377,1075 6.175,1076 10.156,1077 0.579,1078 12.471,1079 1.052,1080 7.871,1081 9.926,1082 0.736,1083 15.037,1084 7.647,1085 11.571,1086 0.171,1087 14.253,1088 0.791,1089 8.65,1090 11.114,1091 0.188,1092 17.176,1093 8.398,1094 13.008,1096 16.057,1097 0.322,1098 9.917,1099 12.788,1100 0.57,1101 19.688,1102 9.66,1103 3.253,1104 -0.172,1105 17.879,1107 10.896,1108 14.173,1109 0.125,1110 21.997,1111 10.62,1112 2.68,1113 11.429,1114 19.717,1115 -0.389,1116 12.086,1117 15.768,1118 0.439,1119 24.457,1120 11.801,1121 2.485,1122 8.621,1123 21.568,1124 4.747,1125 13.164,1126 17.244,1127 0.082,1128 26.839,1129 12.863,1130 2.402,1131 7.145,1132 23.431,1133 3.912,1134 14.332,1135 18.808,1136 0.334,1137 29.282,1138 14.017,1139 2.229,1140 6.649,1141 25.303,1142 3.152,1143 15.459,1144 20.325,1145 0.054,1146 31.693,1147 15.127,1148 2.072,1149 6.487,1150 27.182,1151 2.976,1152 16.624,1153 21.88,1154 0.252,1155 34.131,1156 16.276,1157 1.908,1158 5.852,1159 29.069,1160 2.698,1161 17.775,1162 23.417,1163 0.035,1164 36.556,1165 17.408,1166 8862,1167 13595,1168 19.592,1169 37.989,1170 43.41,1171 44.3,1172 46.07,1173 43.574,1174 43.39,1175 55.842,1176 4.12,1177 123.856,1178 40.99,1179 5.65,1180 5.316,1181 6.464,1182 5.273,1183 5.253,1184 7.747,1185 1.72,1186 18.97,1187 5.179,1188 15.719,1189 1.447,1190 1.477,1191 1.536,1192 1.452,1193 1.446,1194 1.861,1195 0.137,1196 4.129,1197 1.366,1198 4.162,1199 4.185,1200 4.166,1201 4.096,1202 5.094,1203 4.102,1204 3.799,1205 3.873,1206 3.855,1207 3.721,1208 4.844,1209 3.716,1210 3.776,1211 3.794,1212 3.658,1213 3.636,1214 4.606,1215 3.63,1216 3.622,1217 3.701,1218 3.503,1219 3.441,1220 4.364,1221 3.436,1222 3.326,1223 3.407,1224 3.393,1225 3.167,1226 4.272,1227 3.164,1228 3.306,1229 3.385,1230 3.096,1231 3.123,1232 4.182,1233 3.089,1234 3.263,1235 3.34,1236 3.04,1237 3.055,1238 3.974,1239 3.047,1240 3.111,1241 3.17,1242 3.038,1243 2.965,1244 3.892,1245 2.959,1246 0.157,1247 0.111,1248 0.228,1249 0.141,1250 0.108,1251 4.713,1252 0.158,1253 3.316,1254 0.029,1255 6.846,1256 0.381,1257 4.231,1258 0.106,1259 3.253,1260 4.747,1261 0.86,1262 11.429,1263 3.179,1264 2.113,1265 2.095,1266 2.161,1267 2.193,1268 1.361,1269 2.186,1270 1.773,1271 1.748,1272 2.008,1273 1.971,1274 1.294,1275 1.988,1276 1.765,1277 1.705,1278 1.886,1279 1.85,1280 1.117,1281 1.858,1282 1.613,1283 1.536,1284 1.858,1285 1.824,1286 0.974,1287 1.849,1288 1.351,1289 1.256,1290 1.725,1291 1.584,1292 0.869,1293 1.638,1294 1.309,1295 1.239,1296 1.642,1297 1.538,1298 0.847,1299 1.574,1300 1.228,1301 1.165,1302 1.569,1303 1.51,1304 0.578,1305 1.533,1306 1.112,1307 1.055,1308 1.311,1309 1.274,1310 0.439,1311 1.298,1312 4.111,1314 5.416,1316 6.929,1318 8.546,1320 10.227,1322 8.382,1323 6.216,1328 5.641,1329 3.751,1330 5.447,1332 0.353,1333 2.469,1340 34.982,1341 83.759,1342 189.192,1343 259.459,1344 296.743,1345 296.743,1346 296.743,1347 45.422,1348 7.501,1349 37.39,1350 37.39,1351 18,1352 12.565,1353 4.087,1354 3.17,1355 49.489,1356 101,1357 124,1358 0.229,1359 221.434,1360 375.2,1361 532.06,1362 17729,1363 1.7,1364 20.096,1365 0.718,1366 0.643,1367 20.596,1368 18.014,1369 13.55,1370 0.452,1371 0.35,1372 10.035,1373 12.833,1374 9.627,1375 8.077,1376 13.838,1377 10.49,1378 11.707,1379 0.286,1380 0.187,1381 12.116,1382 7.682,1383 9.881,1384 0.183,1385 0.103,1386 10.144,1387 5.575,1388 7.994,1389 0.113,1390 0.054,1391 8.229,1392 3.825,1393 6.655,1394 0.069,1395 0.027,1396 6.887,1397 2.575,1398 0.356,1399 87.017,1400 0.226,1401 26.569,1402 0.642,1403 142,1404 349.562,1405 166.587,1406 371.428,1407 509.65,1408 350,1409 166,1410 359.31,1411 185.077,1412 376.949,1413 552.05,1414 355,1415 5.574}
{0 CHEMBL75729,1 1.436,2 11.037,3 4.255,4 18.106,5 107.764,6 6.769,7 0.4,8 4.075,9 4.203,10 3.573,11 3.597,12 5.075,13 3.563,14 4.658,15 4.853,16 3.971,17 4.034,18 5.624,19 3.978,20 4.923,21 5.125,22 4.048,23 4.236,24 5.794,25 4.142,26 5.102,27 5.35,28 3.955,29 4.28,30 5.921,31 4.147,32 5.085,33 5.343,34 3.863,35 4.236,36 5.879,37 4.075,38 5.067,39 5.357,40 3.773,41 4.134,42 5.803,43 3.97,44 4.878,45 5.137,46 3.78,47 4.034,48 5.724,49 3.905,50 4.803,51 5.041,52 3.665,53 3.964,54 5.774,55 3.835,56 0.039,57 0.786,58 12.459,59 5.066,60 9.017,61 7.086,62 0.417,63 1.314,64 23.797,65 8.39,66 34.634,67 12.183,68 0.208,69 1.642,70 30.766,71 11.624,72 28.709,73 16.598,74 0.391,75 1.844,76 38.049,77 13.093,78 45.054,79 19.216,80 0.308,81 1.77,82 37.097,83 13.757,84 39.036,85 20.109,86 0.401,87 1.625,88 37.43,89 13.336,90 43.331,91 19.487,92 0.331,93 1.42,94 30.474,95 11.051,96 34.448,97 15.949,98 0.384,99 1.335,100 28.373,101 9.783,102 47.426,103 14.022,104 20,105 44,106 0.239,107 0.561,108 0.765,109 0.857,110 0.866,111 0.866,112 3.341,113 0.958,114 -4.48,115 -4.41,116 -4.15,121 40.7,122 1,123 2,125 1,126 2,127 2,130 1,144 8,145 2,146 2,161 1,176 12,179 2,180 8,183 2,187 14,192 9,200 10,206 8,211 2,214 6,218 1,219 8,224 2,227 6,231 1,232 4,237 1,239 8,243 1,244 4,247 1,249 2,251 11,255 1,256 2,259 1,264 11,269 1,277 8,281 1114,282 18.264,283 18.264,284 18.264,285 18.264,286 18.264,287 16.697,288 25.022,289 10.573,290 18.652,291 14.72,292 14.72,293 14.72,294 14.72,295 14.72,296 12.287,297 31.535,298 4.943,299 15.297,300 4.319,301 2.39,302 1.167,303 0.611,304 0.56,305 0.56,306 4.034,311 1,312 1,313 644,314 3.674,317 96.287,318 143.114,320 78.473,321 88.501,324 121.736,325 2.044,326 17.464,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 57.5,338 298,339 4.835,340 3.977,341 8.009,342 4.717,343 3.74,344 4.206,345 2.186,346 15.335,347 3.659,348 3.991,349 3.658,350 6.257,351 3.656,352 2.704,353 3.447,354 0.966,355 8.955,356 2.581,357 3.896,358 2.898,359 6.175,360 3.531,361 2.546,362 3.321,363 0.693,364 8.653,365 2.513,366 3.678,367 2.746,368 5.459,369 3.396,370 2.456,371 2.884,372 0.366,373 7.246,374 2.294,375 3.492,376 2.689,377 5.347,378 3.321,379 2.378,380 2.596,382 6.948,383 2.218,384 3.332,385 2.515,386 4.998,387 2.975,388 2.012,389 2.473,391 5.438,392 1.921,393 2.932,394 1.818,395 4.717,396 2.564,397 1.591,398 2.095,400 4.756,401 1.549,402 2.686,403 1.567,404 4.222,405 2.417,406 1.443,407 1.714,409 3.134,410 1.399,411 2.519,412 1.183,413 3.723,414 2.134,415 1.14,416 1.525,418 3.06,419 1.132,420 2.5,421 1.106,422 3.641,423 2,424 1,425 1.5,427 2.136,428 1,429 1.876,430 1,431 3.247,432 1.778,433 0.801,434 0.849,436 1.926,437 0.781,438 1.654,439 0.931,440 3.213,441 1.513,442 0.55,443 0.593,445 1.355,446 0.527,447 1.502,448 0.75,449 3.022,450 1.299,451 0.379,452 0.404,454 0.58,455 0.345,456 1.214,457 0.597,458 2.917,459 0.821,460 -0.151,461 -0.188,463 -0.339,464 -0.144,465 0.833,466 -0.063,467 2.576,468 0.621,469 -0.34,470 -0.368,472 -0.877,473 -0.325,474 12.867,475 0.477,476 0.733,477 0.027,478 32.25,479 1.194,480 14.5,481 0.537,482 17.75,483 0.657,484 25.516,485 0.945,486 29.733,487 0.551,488 23.405,489 0.867,490 6.255,491 0.232,492 6.77,493 0.251,494 0.142,495 0.039,496 0.295,501 0.812,502 1.441,503 0.864,504 1.184,505 0.619,506 1.049,507 0.754,508 0.889,509 0.874,510 0.829,511 0.434,512 0.844,513 0.969,514 1.274,515 1.043,516 1.178,517 0.678,518 1.129,519 1.153,520 1.026,521 1.143,522 1.026,523 0.895,524 1.067,525 0.721,526 1.145,527 1.051,528 1.182,529 0.732,530 1.16,531 0.877,532 0.86,533 0.854,534 0.871,535 0.707,536 0.868,537 0.881,538 0.956,539 0.887,540 0.952,541 0.834,542 0.931,543 1.301,544 1.005,545 1.189,546 1.054,547 1.774,548 1.102,549 6,550 0.048,551 3.778,552 3.083,553 1.602,554 0.927,555 0.72,556 0.61,557 0.309,558 0.139,559 8637,560 19905,561 2.088,562 50,563 3,564 18,565 1,567 1,569 4,572 1.702,573 1.94,574 3.384,575 -0.382,577 1,582 77.52,583 1.436,584 3.365,585 4.588,586 5.143,587 5.194,588 5.194,589 2.911,590 4.357,591 4.715,592 3.56,593 1249.68,594 8.199,595 15635.8,597 1,599 1,600 310.764,601 1.596,602 4.673,603 0.2,604 0.004,605 0.086,606 0.067,607 0.04,608 0.026,609 0.022,610 0.018,611 0.011,612 0.007,613 0.481,614 0.33,615 1,616 1.113,617 132.942,618 0.003,619 -0.213,620 0.075,621 -0.076,622 -0.026,623 -0.006,624 0.259,625 0.276,626 0.109,627 0.178,628 0.217,629 0.138,630 -0.067,631 -0.195,632 -0.084,633 -0.141,634 0.007,635 -0.121,636 -0.162,638 -0.161,639 -0.054,640 -0.054,641 -0.097,642 0.034,643 -0.167,644 -0.097,645 -0.186,646 -0.011,647 -0.161,648 0.043,649 0.036,650 0.127,651 0.097,652 -0.006,653 0.117,654 0.075,655 0.004,656 0.092,657 0.036,658 0.041,659 0.058,660 -0.094,661 0.003,662 -0.188,663 -0.082,664 -0.156,665 -0.139,666 2.098,667 4.573,668 0.667,669 29.048,670 0.992,671 1.128,672 3.252,673 10.578,674 0.649,675 3.434,676 3.807,677 4.143,678 4.477,679 4.718,680 4.836,681 5.069,682 5.215,683 5.273,684 5.338,685 6.319,686 0.608,687 365.52,688 3.434,689 5.004,690 5.889,691 6.81,692 7.724,693 8.662,694 9.594,695 10.541,696 11.485,697 12.44,698 5.6,701 1,704 1,705 1,715 8,720 4,722 12,736 1,737 1,741 54,743 13,744 2,745 30,747 57,748 22,749 12,750 4,751 8,756 4,757 7,763 1,764 1,766 1,767 1,770 2,772 13,773 9,777 1,782 1,786 1,790 1,793 27,794 5,795 1,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 3,868 27,876 4,877 1,878 1,880 1,881 2,882 1,893 3.7,896 1,898 1,901 13.917,902 10.483,903 5.903,904 3.285,907 2.177,908 1.279,909 0.963,910 4.871,911 9.987,912 3.638,913 4.19,914 4.71,915 5.236,916 5.727,917 5.878,918 6.247,919 6.533,920 6.691,921 6.852,922 0.875,923 46,924 10.004,926 4.255,927 0.026,929 7.571,931 19.637,933 16.667,936 2.071,937 55.917,939 1,940 1,941 306.049,942 131.842,943 24.259,945 36.145,948 131.842,949 342.193,950 24.259,951 25.618,952 27.291,953 75.81,954 25.145,955 31.62,956 18.534,957 294.278,959 306.049,960 156.102,961 36.145,964 258.964,965 83.229,968 39.241,969 116.861,972 306.049,973 60.404,974 131.842,977 306.049,978 30.414,979 107.677,980 18.011,981 36.145,982 306.049,983 60.404,984 131.842,986 0.588,987 0.354,988 0.192,989 0.105,990 23,991 10,992 0.088,993 5,994 2,995 1.222,996 3.828,997 241.145,998 0.222,999 18,1000 124.382,1005 18.33,1006 7.175,1007 3.214,1009 60.404,1010 16.674,1015 4.492,1017 18.011,1018 498.295,1019 37,1024 11.573,1028 -0.432,1031 53.563,1032 60.896,1034 0.249,1035 0.585,1036 0.797,1037 0.894,1038 0.903,1039 0.903,1040 4.92,1041 1.443,1042 5.922,1043 4.756,1044 4.489,1045 4.875,1046 2.466,1047 6.853,1048 4.416,1049 6.124,1050 1.14,1051 7.56,1052 3.134,1053 4.29,1054 4.691,1055 1.905,1056 8.227,1057 4.19,1058 7.452,1059 1,1060 9.321,1061 3.06,1062 6.225,1063 6.968,1064 3.531,1065 11.401,1066 6.091,1067 8.818,1068 0.801,1069 11.163,1070 2.136,1071 6.899,1072 7.57,1073 3.612,1074 13.697,1075 6.749,1076 10.224,1077 0.55,1078 13.063,1079 1.926,1080 8.365,1081 9.376,1082 4.913,1083 16.527,1084 8.193,1085 11.659,1086 0.379,1087 15.005,1088 1.355,1089 9.424,1090 10.352,1091 5.293,1092 19.131,1093 9.239,1094 13.119,1095 -0.151,1096 16.981,1097 0.58,1098 10.759,1099 11.964,1100 6.388,1101 21.884,1102 10.556,1103 3.74,1104 -0.34,1105 18.981,1106 -0.339,1107 11.977,1108 13.141,1109 6.931,1110 24.579,1111 11.758,1112 2.704,1113 15.335,1114 21.001,1115 -0.877,1116 13.286,1117 14.66,1118 7.902,1119 27.314,1120 13.049,1121 2.546,1122 8.955,1123 23.035,1124 4.206,1125 14.564,1126 15.95,1127 8.539,1128 30.034,1129 14.31,1130 2.456,1131 8.653,1132 25.08,1133 3.447,1134 15.873,1135 17.424,1136 9.436,1137 32.765,1138 15.6,1139 2.378,1140 7.246,1141 27.134,1142 3.321,1143 17.176,1144 18.777,1145 10.13,1146 35.492,1147 16.883,1148 2.012,1149 6.948,1150 29.194,1151 2.884,1152 18.489,1153 20.229,1154 10.981,1155 38.223,1156 18.175,1157 1.591,1158 5.438,1159 31.259,1160 2.596,1161 19.801,1162 21.618,1163 11.71,1164 40.952,1165 19.466,1166 8316,1167 12731,1168 19.879,1169 35.063,1170 45.723,1171 46.767,1172 47.792,1173 45.47,1174 45.479,1175 55.213,1176 8.422,1177 139.042,1178 43.836,1179 5.801,1180 5.977,1181 7.811,1182 5.783,1183 5.74,1184 7.206,1185 3.889,1186 23.869,1187 5.659,1188 13.198,1189 1.524,1190 1.559,1191 1.593,1192 1.516,1193 1.516,1194 1.84,1195 0.281,1196 4.635,1197 1.461,1198 4.098,1199 4.137,1200 4.044,1201 4.002,1202 7.435,1203 4.007,1204 3.909,1205 3.941,1206 3.834,1207 3.853,1208 4.837,1209 3.844,1210 3.71,1211 3.75,1212 3.632,1213 3.568,1214 4.748,1215 3.573,1216 3.52,1217 3.585,1218 3.427,1219 3.24,1220 4.44,1221 3.264,1222 3.359,1223 3.432,1224 3.194,1225 3.196,1226 4.213,1227 3.199,1228 3.291,1229 3.387,1230 3.116,1231 3.059,1232 4.043,1233 3.059,1234 3.087,1235 3.184,1236 2.871,1237 2.907,1238 3.914,1239 2.885,1240 2.969,1241 3.014,1242 2.77,1243 2.735,1244 3.828,1245 2.715,1246 0.161,1247 0.133,1248 0.267,1249 0.157,1250 0.125,1251 4.835,1252 0.14,1253 3.977,1254 0.073,1255 8.009,1256 0.511,1257 4.717,1258 0.122,1259 3.74,1260 4.206,1261 2.186,1262 15.335,1263 3.659,1264 1.922,1265 1.891,1266 2.058,1267 2.014,1268 1.31,1269 2.03,1270 1.903,1271 1.884,1272 2.004,1273 1.991,1274 1.26,1275 1.994,1276 1.635,1277 1.58,1278 1.832,1279 1.826,1280 1.043,1281 1.83,1282 1.56,1283 1.49,1284 1.788,1285 1.771,1286 1.009,1287 1.779,1288 1.403,1289 1.332,1290 1.69,1291 1.718,1292 0.786,1293 1.713,1294 1.28,1295 1.197,1296 1.598,1297 1.513,1298 0.682,1299 1.546,1300 1.156,1301 1.067,1302 1.515,1303 1.388,1304 0.632,1305 1.436,1306 0.886,1307 0.833,1308 1.235,1309 1.209,1310 0.411,1311 1.178,1312 4.111,1314 5.468,1315 3.045,1316 7.029,1317 5.638,1318 8.69,1319 7.928,1320 10.414,1322 6.087,1328 4.29,1329 2.505,1330 5.368,1332 0.339,1333 4.975,1334 0.044,1340 32.815,1341 77.52,1342 181.705,1343 247.744,1344 277.744,1345 280.499,1346 280.499,1347 39.557,1348 7.81,1349 44.81,1350 44.81,1351 22,1352 12.929,1353 3.807,1354 3,1355 40.206,1356 100,1357 110,1358 0.201,1359 200.112,1360 350.02,1361 480.033,1362 25598,1364 19.018,1365 0.704,1366 0.601,1367 19.018,1368 16.236,1369 13.025,1370 0.434,1371 0.319,1372 9.449,1373 12.558,1374 9.116,1375 7.579,1376 13.025,1377 9.577,1378 11.969,1379 0.272,1380 0.176,1381 11.969,1382 7.742,1383 10.527,1384 0.17,1385 0.099,1386 10.527,1387 6.109,1388 8.978,1389 0.103,1390 0.055,1391 8.978,1392 4.761,1393 7.318,1394 0.066,1395 0.031,1396 7.318,1397 3.411,1398 0.311,1399 81.299,1400 0.224,1401 25.797,1402 0.564,1403 148,1404 367.094,1405 161.025,1406 354.929,1407 494.78,1408 334,1409 180,1410 373.599,1411 193.309,1412 379.579,1413 560.95,1414 356,1415 6.741}
{0 CHEMBL75743,1 1.576,2 7.222,3 1.461,4 2.135,5 68.867,6 7.067,7 0.3,8 3.674,9 3.806,10 3.197,11 3.142,12 4.713,13 3.135,14 4.25,15 4.434,16 3.62,17 3.595,18 5.313,19 3.559,20 4.51,21 4.718,22 3.623,23 3.746,24 5.46,25 3.67,26 4.582,27 4.831,28 3.383,29 3.666,30 5.514,31 3.544,32 4.382,33 4.655,34 3.227,35 3.419,36 5.295,37 3.297,38 4.118,39 4.348,40 2.957,41 3.147,42 5.072,43 3.045,44 3.921,45 4.178,46 2.869,47 2.916,48 4.954,49 2.827,50 3.779,51 4.016,52 2.58,53 2.694,54 4.985,55 2.622,56 0.041,57 0.531,58 7.99,59 2.989,60 6.079,61 4.252,62 0.34,63 0.862,64 15.41,65 5.292,66 30.33,67 7.688,68 0.199,69 1.031,70 20.319,71 6.959,72 25.239,73 10.173,74 0.346,75 0.989,76 23.037,77 6.935,78 40.454,79 10.465,80 0.248,81 0.765,82 19.023,83 5.993,84 29.827,85 9.091,86 0.29,87 0.569,88 14.696,89 4.395,90 26.779,91 6.307,92 0.205,93 0.476,94 12.027,95 3.495,96 22.119,97 5.307,98 0.319,99 0.404,100 10.775,101 2.261,102 38.487,103 3.555,104 13,105 30,106 0.294,107 0.668,108 0.849,109 0.885,110 0.885,111 0.885,112 2.962,113 0.926,114 -2.58,115 -2.6,116 -2.54,121 37.1,122 1,123 1,125 1,126 1,127 1,130 1,144 3,145 1,146 2,161 1,176 5,179 1,180 2,183 2,184 1,185 5,187 6,192 2,197 6,200 5,206 3,211 4,214 3,219 4,222 1,224 3,227 2,232 1,235 1,237 1,244 2,247 1,248 1,249 2,259 1,260 1,281 324,282 12.074,283 12.074,284 12.074,285 12.074,286 12.074,287 11.233,288 20.735,289 6.845,290 12.381,291 9.789,292 9.789,293 9.789,294 9.789,295 9.789,296 8.385,297 28.606,298 3.149,299 10.229,300 3.553,301 1.552,302 0.579,303 0.386,304 0.386,305 0.386,306 3.634,311 1,312 1,313 282,314 3.162,317 59.916,318 34.386,320 48.127,321 51.933,324 72.501,325 1.111,326 16.117,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 39.5,338 130,339 4.755,340 3.87,341 7.887,342 4.636,343 3.649,344 4.153,345 2.186,346 14.705,347 3.601,348 3.956,349 3.656,350 5.984,351 3.602,352 2.653,353 3.281,354 0.647,355 8.238,356 2.52,357 3.623,358 2.716,359 5.403,360 3.278,361 2.32,362 2.835,363 0.366,364 6.999,365 2.193,366 3.293,367 2.333,368 5.249,369 2.922,370 1.964,371 2.495,372 0.247,373 5.9,374 1.871,375 2.964,376 2.205,377 4.731,378 2.761,379 1.815,380 2.041,382 5.107,383 1.708,384 2.42,385 1.321,386 4.116,387 2.11,388 1.139,389 1.401,391 2.971,392 1.104,393 2.14,394 1.119,395 3.647,396 2.037,397 1.06,398 1.135,400 2.504,401 1.033,402 1.552,403 1.106,404 3.151,405 1.358,406 0.451,407 0.48,409 0.897,410 0.406,411 1.431,412 0.795,413 2.934,414 1.147,415 0.188,416 0.212,418 0.343,419 0.178,420 0.952,421 0.309,422 2.781,423 0.651,424 -0.312,425 -0.367,427 -0.778,428 -0.296,429 0.609,430 -0.311,431 2.331,432 0.271,433 -0.711,434 -0.792,436 -1.883,437 -0.691,438 0.509,439 -0.649,440 2.263,441 0.161,442 -0.828,443 -1.077,445 -2.596,446 -0.818,447 0.099,448 -0.712,449 2,450 -0.101,451 -1.08,452 -1.303,454 -2.883,455 -1.046,456 -0.203,457 -0.974,458 1.86,459 -0.437,460 -1.4,461 -1.622,463 -3.292,464 -1.366,465 -0.492,466 -1.209,467 1.581,468 -0.592,469 -1.57,470 -1.708,472 -4.54,473 -1.474,474 8.367,475 0.465,476 0.541,477 0.03,478 20.75,479 1.153,480 8.5,481 0.472,482 12.25,483 0.681,484 14.312,485 0.795,486 20.433,487 0.584,488 13.323,489 0.74,490 3.965,491 0.22,492 4.667,493 0.259,494 0.159,495 0.06,496 0.299,501 0.878,502 1.415,503 0.838,504 1.155,505 0.637,506 0.999,507 0.588,508 0.94,509 0.795,510 0.894,511 0.413,512 0.872,513 0.95,514 1.255,515 1.009,516 1.189,517 0.678,518 1.123,519 1.169,520 1.001,521 1.178,522 1.053,523 1.028,524 1.104,525 0.766,526 0.977,527 0.828,528 1.015,529 0.846,530 0.947,531 1.483,532 1.012,533 1.181,534 1.065,535 1.189,536 1.092,537 0.959,538 1.096,539 0.847,540 1.053,541 1.161,542 0.963,543 2.013,544 0.821,545 1.503,546 0.84,547 3.282,548 1.045,549 5,551 2.889,552 1.924,553 0.796,554 0.497,555 0.36,556 0.225,557 0.094,558 0.025,559 2587,560 6604,561 2.073,562 48.6,563 3,564 8,565 1,567 3,569 2,572 1.589,573 1.912,574 2.839,575 1.197,577 1,578 1,579 1,582 55.177,583 1.576,584 3.577,585 4.55,586 4.743,587 4.743,588 4.743,589 2.224,590 4.059,591 4.14,592 2.951,593 451.431,594 7.036,595 4116.12,596 1,597 1,599 1,600 179.525,601 1.676,602 4.078,603 0.25,605 0.096,606 0.066,607 0.038,608 0.028,609 0.028,610 0.019,611 0.012,612 0.012,613 0.549,614 0.67,615 1,616 1.357,617 74.771,618 -0.09,619 -0.115,620 0.047,621 -0.018,622 -0.066,623 0.037,624 0.289,625 0.239,626 0.133,627 0.162,628 0.232,629 0.13,630 -0.096,631 -0.19,632 -0.081,633 -0.139,634 0.009,635 -0.112,636 -0.195,637 -0.028,638 -0.211,639 -0.087,640 -0.11,641 -0.139,642 0.089,643 -0.085,644 0.139,645 -0.041,646 0.035,647 0.045,648 -0.142,649 -0.114,650 -0.167,651 -0.099,652 -0.179,653 -0.141,654 0.145,655 -0.204,656 0.156,657 -0.114,658 0.102,659 -0.008,660 -0.312,661 0.147,662 -0.418,663 -0.035,664 -0.429,665 -0.222,666 2.104,667 4.228,668 0.667,669 11,670 1.004,671 1.138,672 1.349,673 1.82,674 0.636,675 3.045,676 3.434,677 3.761,678 4.06,679 4.248,680 4.344,681 4.522,682 4.554,683 4.443,684 4.369,685 4.366,686 0.605,687 247.33,688 3.045,689 4.615,690 5.501,691 6.425,692 7.339,693 8.272,694 9.199,695 10.136,696 11.07,697 12.01,698 8.6,700 1,703 1,705 1,715 3,720 3,722 6,734 1,737 1,741 35,743 7,744 1,745 20,747 37,748 13,749 6,750 3,751 3,756 3,757 6,763 1,764 1,766 1,767 1,770 1,772 7,773 6,777 1,782 1,786 1,790 1,793 17,794 5,795 3,796 5,802 3,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,853 1,859 1,864 2,868 18,876 2,877 3,878 1,880 1,882 1,893 5.7,896 1,898 1,901 9.417,902 6.667,903 3.903,904 2.069,907 1.329,908 1.199,909 0.956,910 2.716,911 7.996,912 3.219,913 3.773,914 4.28,915 4.807,916 5.293,917 5.516,918 5.874,919 6.083,920 6.015,921 5.98,922 0.8,923 29,924 6.656,926 2.875,927 0.026,929 7.736,931 12.837,933 10.947,936 2.236,937 40.25,938 0.002,941 164.795,942 68.239,943 54.032,945 36.145,948 68.239,949 200.94,950 54.032,951 17.222,952 22.651,953 46.439,954 43.156,955 22.186,956 18.534,957 153.024,959 164.795,960 122.271,961 36.145,964 141.253,965 59.687,968 49.487,969 54.773,970 18.011,972 164.795,973 90.177,974 68.239,977 164.795,978 22.588,979 45.65,980 54.032,981 36.145,982 164.795,983 90.177,984 68.239,986 0.595,987 0.36,988 0.187,989 0.097,990 17,991 7,992 0.054,993 2,994 2,995 1.333,996 2.983,997 136.392,998 0.333,999 12,1000 75.059,1005 11.81,1006 4.14,1007 1.799,1009 90.177,1010 5.745,1015 2.932,1017 54.032,1018 323.211,1019 24,1024 11.228,1028 -0.438,1031 35.145,1032 39.82,1034 0.307,1035 0.697,1036 0.887,1037 0.925,1038 0.925,1039 0.925,1040 4.516,1041 0.451,1042 5.557,1043 2.504,1044 4.111,1045 4.454,1046 2.351,1047 6.506,1048 4.034,1049 5.734,1050 0.188,1051 7.213,1052 0.897,1053 4.007,1054 4.425,1055 1.784,1056 7.968,1057 3.937,1058 7.084,1059 -0.312,1060 8.994,1061 0.343,1062 5.889,1063 6.574,1064 3.501,1065 11.1,1066 5.768,1067 8.473,1068 -0.711,1069 10.856,1070 -0.778,1071 6.635,1072 7.316,1073 3.59,1074 13.432,1075 6.532,1076 9.9,1077 -0.828,1078 12.775,1079 -1.883,1080 8.078,1081 9.029,1082 4.906,1083 16.225,1084 7.946,1085 11.353,1086 -1.08,1087 14.734,1088 -2.596,1089 9.17,1090 10.11,1091 5.289,1092 18.817,1093 9.048,1094 12.828,1095 -1.4,1096 16.722,1097 -2.883,1098 10.492,1099 11.663,1100 6.387,1101 21.532,1102 10.354,1103 3.649,1104 -1.57,1105 18.732,1106 -3.292,1107 11.713,1108 12.909,1109 6.93,1110 24.194,1111 11.574,1112 2.653,1113 14.705,1114 20.757,1115 -4.54,1116 13.007,1117 14.393,1118 7.902,1119 26.89,1120 12.856,1121 2.32,1122 8.238,1123 22.793,1124 4.153,1125 14.274,1126 15.722,1127 8.539,1128 29.571,1129 14.116,1130 1.964,1131 6.999,1132 24.838,1133 3.281,1134 15.564,1135 17.174,1136 9.436,1137 32.261,1138 15.395,1139 1.815,1140 5.9,1141 26.888,1142 2.835,1143 16.847,1144 18.548,1145 10.13,1146 34.947,1147 16.668,1148 1.139,1149 5.107,1150 28.942,1151 2.495,1152 18.138,1153 19.985,1154 10.981,1155 37.636,1156 17.947,1157 1.06,1158 2.971,1159 30.999,1160 2.041,1161 19.428,1162 21.381,1163 11.71,1164 40.323,1165 19.225,1166 2596,1167 4215,1168 13.118,1169 22.256,1170 30.669,1171 31.762,1172 32.335,1173 30.422,1174 30.481,1175 36.064,1176 6.894,1177 95.33,1178 29.229,1179 5.717,1180 5.87,1181 7.438,1182 5.7,1183 5.649,1184 7.153,1185 3.889,1186 22.9,1187 5.601,1188 8.609,1189 1.533,1190 1.588,1191 1.617,1192 1.521,1193 1.524,1194 1.803,1195 0.345,1196 4.767,1197 1.461,1198 4.072,1199 4.11,1200 4.017,1201 3.98,1202 7.435,1203 3.984,1204 3.691,1205 3.732,1206 3.609,1207 3.545,1208 4.851,1209 3.548,1210 3.507,1211 3.575,1212 3.408,1213 3.204,1214 4.477,1215 3.247,1216 3.139,1217 3.239,1218 2.961,1219 2.938,1220 4.22,1221 2.922,1222 3.1,1223 3.183,1224 2.909,1225 2.862,1226 4.014,1227 2.87,1228 2.918,1229 2.974,1230 2.724,1231 2.642,1232 3.808,1233 2.637,1234 2.775,1235 2.849,1236 2.579,1237 2.592,1238 3.619,1239 2.598,1240 2.617,1241 2.717,1242 2.429,1243 2.386,1244 3.491,1245 2.389,1246 0.238,1247 0.193,1248 0.394,1249 0.232,1250 0.182,1251 4.755,1252 0.208,1253 3.87,1254 0.109,1255 7.887,1256 0.735,1257 4.636,1258 0.18,1259 3.649,1260 4.153,1261 2.186,1262 14.705,1263 3.601,1264 1.901,1265 1.882,1266 2.002,1267 1.99,1268 1.31,1269 1.991,1270 1.606,1271 1.555,1272 1.811,1273 1.78,1274 0.996,1275 1.79,1276 1.438,1277 1.354,1278 1.692,1279 1.745,1280 0.927,1281 1.727,1282 1.394,1283 1.316,1284 1.685,1285 1.684,1286 0.681,1287 1.694,1288 1.01,1289 0.94,1290 1.352,1291 1.305,1292 0.47,1293 1.319,1294 0.852,1295 0.777,1296 1.104,1297 1.188,1298 0.162,1299 1.176,1300 0.788,1301 0.722,1302 1.064,1303 0.978,1304 0.153,1305 1.014,1306 0.661,1307 0.6,1308 0.939,1309 0.949,1311 0.961,1312 3.714,1314 5.081,1315 3.045,1316 6.65,1317 5.533,1318 8.318,1319 7.735,1320 10.045,1322 3.787,1328 2.092,1329 9.358,1330 5.184,1332 0.28,1334 0.081,1340 21.181,1341 55.177,1342 125.206,1343 159.26,1344 166.015,1345 166.015,1346 166.015,1347 23.881,1348 6.667,1349 62.39,1350 62.39,1351 16,1352 12.507,1353 3,1354 2.322,1355 25.727,1356 47,1357 52,1358 0.287,1359 129.956,1360 225.5,1361 308.854,1362 5652,1364 12.751,1365 0.708,1366 0.586,1367 12.751,1368 10.54,1369 8.631,1370 0.432,1371 0.309,1372 6.067,1373 8.229,1374 5.884,1375 4.879,1376 8.631,1377 6.174,1378 8.125,1379 0.271,1380 0.168,1381 8.125,1382 5.046,1383 7.17,1384 0.171,1385 0.094,1386 7.17,1387 3.951,1388 5.864,1389 0.103,1390 0.05,1391 5.864,1392 2.845,1393 4.614,1394 0.067,1395 0.027,1396 4.614,1397 1.852,1398 0.429,1399 54.601,1400 0.276,1401 17.655,1402 0.846,1403 100,1404 276.47,1405 111.971,1406 262.5,1407 362.11,1408 246,1409 122,1410 272.698,1411 132.978,1412 273.326,1413 405.3,1414 257,1415 5.827}
{0 CHEMBL75919,1 1.476,2 10.24,3 3.927,4 15.421,5 98.174,6 7.03,7 0.429,8 3.972,9 4.096,10 3.505,11 3.496,12 5.006,13 3.472,14 4.543,15 4.729,16 3.922,17 3.933,18 5.558,19 3.893,20 4.802,21 4.989,22 3.985,23 4.128,24 5.728,25 4.049,26 4.989,27 5.245,28 3.887,29 4.138,30 5.876,31 4.02,32 4.905,33 5.147,34 3.698,35 3.994,36 5.872,37 3.854,38 4.803,39 5.105,40 3.478,41 3.733,42 5.65,43 3.594,44 4.322,45 4.531,46 3.409,47 3.505,48 5.372,49 3.432,50 4.284,51 4.494,52 3.324,53 3.458,54 5.407,55 3.388,56 0.024,57 0.708,58 10.643,59 4.389,60 7.956,61 6.012,62 0.381,63 1.184,64 20.551,65 7.264,66 32.38,67 10.365,68 0.172,69 1.48,70 26.456,71 9.978,72 25.616,73 13.992,74 0.317,75 1.646,76 33.965,77 11.406,78 40.745,79 16.735,80 0.316,81 1.408,82 31.42,83 11.304,84 50.466,85 15.801,86 0.45,87 1.141,88 30.429,89 9.857,90 51.507,91 14.066,92 0.263,93 0.811,94 17.375,95 6.068,96 28.339,97 8.21,98 0.341,99 0.797,100 16.971,101 5.259,102 39.574,103 7.193,104 17,105 42,106 0.252,107 0.579,108 0.748,109 0.84,110 0.86,111 0.86,112 3.267,113 0.922,114 -4.31,115 -4.24,116 -4.01,121 41.7,122 1,123 1,125 1,126 2,127 1,130 1,144 8,145 1,146 3,161 1,176 9,179 2,180 7,183 2,185 2,187 10,192 8,197 2,200 7,206 9,211 3,214 3,218 1,219 9,224 2,227 2,231 1,232 3,237 1,239 4,243 1,244 2,247 1,249 2,251 8,255 1,259 1,264 8,269 2,277 8,281 821,282 16.687,283 16.687,284 16.687,285 16.687,286 16.687,287 15.12,288 24.797,289 9.586,290 17.05,291 13.8,292 13.8,293 13.8,294 13.8,295 13.8,296 11.415,297 36.489,298 4.547,299 14.384,300 4.109,301 2.194,302 1.204,303 0.662,304 0.547,305 0.547,306 3.96,310 1,311 1,312 1,313 565,314 3.391,317 94.62,318 133.649,320 76.386,321 81.218,324 113.567,325 1.51,326 17.659,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 53.5,338 256,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 4.021,349 3.675,350 6.211,351 3.668,352 2.721,353 3.483,354 0.966,355 8.83,356 2.577,357 3.907,358 2.825,359 6.169,360 3.542,361 2.573,362 3.303,363 0.693,364 8.459,365 2.49,366 3.624,367 2.743,368 5.558,369 3.368,370 2.43,371 2.856,372 0.366,373 7.562,374 2.269,375 3.453,376 2.572,377 5.31,378 3.226,379 2.288,380 2.578,382 6.818,383 2.132,384 3.281,385 2.469,386 4.795,387 2.891,388 1.913,389 2.42,391 5.081,392 1.851,393 2.85,394 1.746,395 4.602,396 2.438,397 1.488,398 1.984,400 4.341,401 1.411,402 2.615,403 1.519,404 4.213,405 2.359,406 1.372,407 1.629,409 3.06,410 1.346,411 2.517,412 1.171,413 3.723,414 2.127,415 1.133,416 1.521,418 2.99,419 1.126,420 2.5,421 1,422 3.57,423 2,424 1,425 1.5,427 2.136,428 1,429 1.785,430 0.932,431 3.247,432 1.694,433 0.729,434 0.76,436 1.821,437 0.701,438 1.252,439 0.736,440 3.088,441 0.965,442 0.051,443 0.059,445 0.141,446 0.047,447 1.167,448 0.346,449 2.942,450 0.745,451 -0.244,452 -0.278,454 -0.596,455 -0.236,456 0.762,457 -0.017,458 2.602,459 0.636,460 -0.313,461 -0.366,463 -0.761,464 -0.297,465 0.67,466 -0.218,467 2.427,468 0.308,469 -0.678,470 -0.839,472 -1.876,473 -0.66,474 11.867,475 0.475,476 0.771,477 0.031,478 31.75,479 1.27,480 15,481 0.6,482 16.75,483 0.67,484 21.348,485 0.854,486 27.133,487 0.565,488 22.707,489 0.908,490 6.148,491 0.246,492 5.839,493 0.234,494 0.154,495 0.042,496 0.32,501 0.812,502 1.435,503 0.82,504 1.155,505 0.622,506 1.009,507 0.716,508 0.898,509 0.812,510 0.799,511 0.402,512 0.799,513 1.011,514 1.348,515 1.079,516 1.226,517 0.728,518 1.171,519 1.001,520 0.975,521 1.041,522 1.002,523 0.649,524 1.005,525 1.162,526 1.153,527 1.139,528 1.248,529 1.342,530 1.208,531 1.339,532 0.618,533 0.765,534 0.634,535 1.23,536 0.638,537 1.484,538 1.007,539 1.016,540 0.993,541 1.544,542 0.969,543 1.913,544 0.835,545 1.256,546 0.839,547 2.699,548 0.947,549 6,550 0.134,551 3.556,552 3.458,553 1.397,554 0.764,555 0.531,556 0.269,557 0.274,558 0.191,559 7295,560 16247,561 2.095,562 47.9,563 3,564 16,565 1,567 1,569 2,572 1.678,573 1.935,574 3.282,575 -0.356,577 1,582 70.843,583 1.476,584 3.391,585 4.381,586 4.923,587 5.038,588 5.038,589 2.699,590 4.404,591 4.615,592 3.452,593 1035.73,594 7.971,595 12338.5,597 1,599 1,600 268.078,601 1.643,602 4.557,603 0.214,604 0.008,605 0.085,606 0.08,607 0.038,608 0.027,609 0.022,610 0.012,611 0.013,612 0.01,613 0.509,614 0.5,615 1,616 0.609,617 119.989,618 -0.01,619 -0.231,620 0.076,621 -0.084,622 -0.047,623 -0.008,624 0.274,625 0.258,626 0.143,627 0.192,628 0.239,629 0.161,630 -0.094,631 -0.266,632 -0.14,633 -0.209,634 -0.032,635 -0.188,636 -0.088,637 0.034,638 -0.061,639 -0.05,640 0.09,641 -0.042,642 -0.018,643 -0.228,644 -0.146,645 -0.264,646 -0.056,647 -0.229,648 0.007,649 0.189,650 0.294,651 0.304,652 -0.007,653 0.331,654 -0.002,655 -0.041,656 0.005,657 -0.011,658 -0.055,659 -0.014,660 -0.218,661 0.195,662 -0.209,663 0.092,664 -0.324,665 -0.04,666 2.136,667 5.154,668 0.72,669 20.634,670 0.996,671 1.126,672 3.079,673 9.478,674 0.657,675 3.367,676 3.761,677 4.094,678 4.443,679 4.635,680 4.7,681 4.883,682 4.956,683 4.949,684 5.004,685 5.997,686 0.62,687 337.46,688 3.367,689 4.949,690 5.838,691 6.767,692 7.68,693 8.621,694 9.548,695 10.495,696 11.433,697 12.385,698 6.3,701 1,704 1,705 1,715 8,720 4,722 12,736 1,737 1,741 48,743 13,744 2,745 28,747 51,748 20,749 12,750 4,751 8,756 4,757 7,763 1,764 1,766 1,767 1,770 1,772 13,773 7,777 1,782 1,786 1,790 1,793 23,794 5,795 1,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 3,868 25,876 2,877 1,878 1,880 1,881 2,882 1,893 4.2,896 1,898 1,901 12.917,902 9.483,903 5.319,904 2.822,907 2.117,908 1.28,909 0.971,910 3.971,911 9.669,912 3.584,913 4.159,914 4.682,915 5.242,916 5.717,917 5.858,918 6.213,919 6.482,920 6.585,921 6.783,922 0.857,923 43,924 9.26,926 3.993,927 0.026,929 7.617,931 18.004,933 15.334,936 2.117,937 52.917,940 1,941 258.964,942 126.773,943 24.259,945 36.145,948 126.773,949 295.109,950 24.259,951 25.618,952 22.651,953 75.81,954 25.145,955 31.191,956 18.534,957 247.193,959 258.964,960 151.033,961 36.145,964 235.422,965 59.687,968 34.601,969 116.432,972 258.964,973 60.404,974 126.773,977 258.964,978 25.345,979 107.677,980 18.011,981 36.145,982 258.964,983 60.404,984 126.773,986 0.597,987 0.359,988 0.205,989 0.106,990 23,991 10,992 0.059,993 3,994 2,995 1.222,996 3.665,997 217.709,998 0.222,999 18,1000 112.096,1005 16.431,1006 6.042,1007 2.697,1009 60.404,1010 15.26,1015 3.777,1017 18.011,1018 446.142,1019 35,1024 12.154,1028 -0.47,1031 47.796,1032 54.066,1034 0.264,1035 0.607,1036 0.784,1037 0.881,1038 0.902,1039 0.902,1040 4.875,1041 1.372,1042 5.883,1043 4.341,1044 4.443,1045 4.844,1046 2.466,1047 6.825,1048 4.364,1049 6.092,1050 1.133,1051 7.529,1052 3.06,1053 4.29,1054 4.691,1055 1.905,1056 8.207,1057 4.18,1058 7.427,1059 1,1060 9.296,1061 2.99,1062 6.192,1063 6.953,1064 3.531,1065 11.384,1066 6.048,1067 8.798,1068 0.729,1069 11.143,1070 2.136,1071 6.889,1072 7.564,1073 3.612,1074 13.681,1075 6.73,1076 10.208,1077 0.051,1078 13.046,1079 1.821,1080 8.346,1081 9.371,1082 4.913,1083 16.511,1084 8.164,1085 11.646,1086 -0.244,1087 14.991,1088 0.141,1089 9.415,1090 10.351,1091 5.293,1092 19.115,1093 9.224,1094 13.108,1095 -0.313,1096 16.968,1097 -0.596,1098 10.747,1099 11.965,1100 6.388,1101 21.867,1102 10.538,1103 3.737,1104 -0.678,1105 18.97,1106 -0.761,1107 11.968,1108 13.144,1109 6.931,1110 24.561,1111 11.747,1112 2.721,1113 15.306,1114 20.99,1115 -1.876,1116 13.276,1117 14.664,1118 7.902,1119 27.295,1120 13.037,1121 2.573,1122 8.83,1123 23.025,1124 4.206,1125 14.555,1126 15.954,1127 8.539,1128 30.013,1129 14.301,1130 2.43,1131 8.459,1132 25.071,1133 3.483,1134 15.863,1135 17.428,1136 9.436,1137 32.743,1138 15.59,1139 2.288,1140 7.562,1141 27.125,1142 3.303,1143 17.165,1144 18.781,1145 10.13,1146 35.468,1147 16.874,1148 1.913,1149 6.818,1150 29.185,1151 2.856,1152 18.476,1153 20.233,1154 10.981,1155 38.197,1156 18.166,1157 1.488,1158 5.081,1159 31.25,1160 2.578,1161 19.788,1162 21.621,1163 11.71,1164 40.924,1165 19.457,1166 6902,1167 10440,1168 18.493,1169 31.54,1170 43.276,1171 43.987,1172 44.983,1173 42.843,1174 42.872,1175 52.599,1176 8.422,1177 133.093,1178 41.213,1179 5.797,1180 5.973,1181 7.808,1182 5.802,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 12.265,1189 1.546,1190 1.571,1191 1.607,1192 1.53,1193 1.531,1194 1.879,1195 0.301,1196 4.753,1197 1.472,1198 4.092,1199 4.13,1200 4.039,1201 3.996,1202 7.435,1203 4.001,1204 3.899,1205 3.934,1206 3.832,1207 3.821,1208 4.845,1209 3.818,1210 3.699,1211 3.741,1212 3.615,1213 3.563,1214 4.756,1215 3.566,1216 3.397,1217 3.438,1218 3.335,1219 3.114,1220 4.445,1221 3.158,1222 3.272,1223 3.362,1224 3.101,1225 3.047,1226 4.143,1227 3.043,1228 3.227,1229 3.31,1230 3.036,1231 2.997,1232 3.931,1233 3.007,1234 2.976,1235 3.093,1236 2.713,1237 2.761,1238 3.888,1239 2.727,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.77,1245 2.715,1246 0.173,1247 0.142,1248 0.286,1249 0.168,1250 0.133,1251 4.832,1252 0.15,1253 3.973,1254 0.078,1255 8.006,1256 0.547,1257 4.714,1258 0.131,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.907,1265 1.887,1266 2.014,1267 2.01,1268 1.31,1269 2.009,1270 1.881,1271 1.85,1272 1.999,1273 1.969,1274 1.062,1275 1.98,1276 1.633,1277 1.577,1278 1.832,1279 1.836,1280 1.056,1281 1.837,1282 1.534,1283 1.453,1284 1.787,1285 1.754,1286 1.012,1287 1.774,1288 1.255,1289 1.205,1290 1.58,1291 1.563,1292 0.644,1293 1.546,1294 1.153,1295 1.082,1296 1.453,1297 1.443,1298 0.563,1299 1.434,1300 1.014,1301 0.899,1302 1.317,1303 1.291,1304 0.347,1305 1.353,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.278,1311 1.107,1312 4.043,1314 5.416,1315 3.045,1316 6.987,1317 5.638,1318 8.656,1319 7.921,1320 10.385,1322 6.611,1328 2.176,1329 2.75,1330 5.517,1332 0.357,1333 4.721,1334 0.064,1340 29.762,1341 70.843,1342 162.775,1343 210.304,1344 236.304,1345 241.814,1346 241.814,1347 35.473,1348 7.552,1349 44.81,1350 44.81,1351 22,1352 12.876,1353 3.807,1354 3,1355 36.085,1356 91,1357 93,1358 0.199,1359 180.927,1360 315.42,1361 433.223,1362 18981,1364 17.604,1365 0.704,1366 0.593,1367 17.604,1368 14.821,1369 11.987,1370 0.428,1371 0.307,1372 8.48,1373 11.532,1374 8.168,1375 6.802,1376 11.987,1377 8.604,1378 11.437,1379 0.272,1380 0.171,1381 11.437,1382 7.192,1383 9.81,1384 0.166,1385 0.094,1386 9.81,1387 5.532,1388 8.892,1389 0.106,1390 0.052,1391 8.892,1392 4.391,1393 6.842,1394 0.067,1395 0.028,1396 6.842,1397 2.891,1398 0.311,1399 75.006,1400 0.233,1401 24.147,1402 0.549,1403 140,1404 359.094,1405 153.359,1406 347.551,1407 484.64,1408 326,1409 171,1410 369.092,1411 184.642,1412 375.549,1413 554.61,1414 351,1415 5.456}
{0 CHEMBL75985,1 1.306,2 15.947,3 7.066,4 49.934,5 153.114,6 6.523,7 0.512,8 4.43,9 4.569,10 3.9,11 3.997,12 5.337,13 3.942,14 5.028,15 5.231,16 4.239,17 4.427,18 5.865,19 4.332,20 5.345,21 5.612,22 4.339,23 4.57,24 6.096,25 4.448,26 5.334,27 5.598,28 4.286,29 4.545,30 6.111,31 4.419,32 5.334,33 5.592,34 4.206,35 4.564,36 6.07,37 4.42,38 5.389,39 5.662,40 4.068,41 4.572,42 6.072,43 4.387,44 5.394,45 5.696,46 3.878,47 4.495,48 5.997,49 4.271,50 5.275,51 5.593,52 3.716,53 4.332,54 5.837,55 4.101,56 0.088,57 1.176,58 18.43,59 7.447,60 11.198,61 10.834,62 0.248,63 1.977,64 34.291,65 13.194,66 24.955,67 19.457,68 0.322,69 2.488,70 47.829,71 16.995,72 35.567,73 25.933,74 0.495,75 2.493,76 47.8,77 16.086,78 42.09,79 24.688,80 0.386,81 2.466,82 47.441,83 16.564,84 34.954,85 25.26,86 0.378,87 2.498,88 49.994,89 18.426,90 36.352,91 27.67,92 0.337,93 2.361,94 50.158,95 19.275,96 34.816,97 28.701,98 0.301,99 2.041,100 44.62,101 17.011,102 29.709,103 25.433,105 58,106 0.199,107 0.469,108 0.614,109 0.712,110 0.744,111 0.744,112 3.667,113 1.039,114 -5.89,115 -5.75,116 -5.35,121 41,123 14,127 2,144 4,145 4,146 2,147 2,148 2,151 2,176 17,179 2,180 10,185 6,187 16,192 8,197 6,200 11,206 8,209 4,211 8,214 14,219 4,224 4,227 17,232 6,237 2,239 20,244 4,249 2,251 18,256 4,264 16,269 4,273 1,277 16,281 2696,282 26.932,283 26.932,284 26.932,285 26.932,286 26.932,287 24.357,288 23.565,289 16.646,290 27.284,291 21.356,292 21.356,293 21.356,294 21.356,295 21.356,296 17.308,297 24.816,298 7.989,299 21.942,300 4.979,301 3.214,302 2.262,303 1.615,304 1.41,305 1.41,306 4.395,313 1374,314 3.873,318 560.122,322 640.131,325 2.177,326 19.524,329 0.5,330 0.33,331 0.67,332 0.7,333 0.5,334 0.67,335 0.5,336 0.55,337 79,338 606,339 4.64,340 3.361,341 6.829,342 4.202,343 3.226,344 4.564,345 0.4,346 11.348,347 3.148,348 4.64,349 3.361,350 6.829,351 4.202,352 3.226,353 4.564,354 0.4,355 11.348,356 3.148,357 3.914,358 2.669,359 5.982,360 3.513,361 2.532,362 3.437,364 8.37,365 2.483,366 3.914,367 2.668,368 5.982,369 3.513,370 2.532,371 3.437,373 8.37,374 2.483,375 3.522,376 2.357,377 5.381,378 3.126,379 2.184,380 2.893,382 6.711,383 2.056,384 3.522,385 2.355,386 5.381,387 3.121,388 2.18,389 2.893,391 6.711,392 2.047,393 2.945,394 1.933,395 4.116,396 2.888,397 1.894,398 2.142,400 3.865,401 1.88,402 2.939,403 1.795,404 4.116,405 2.633,406 1.653,407 2.142,409 3.553,410 1.618,411 2.909,412 1.646,413 4,414 2.511,415 1.529,416 1.92,418 3.335,419 1.5,420 2.709,421 1.545,422 3.96,423 2.499,424 1.514,425 1.734,427 3.329,428 1.49,429 2.608,430 1.462,431 3.832,432 2.335,433 1.347,434 1.642,436 3.329,437 1.33,438 2.562,439 1.439,440 3.666,441 2.335,442 1.347,443 1.576,445 3.176,446 1.329,447 2.49,448 1.379,449 3.594,450 2.275,451 1.308,452 1.489,454 2.902,455 1.263,456 2.486,457 1.35,458 3.594,459 2.219,460 1.247,461 1.485,463 2.902,464 1.21,465 2.334,466 1.35,467 3.578,468 2.217,469 1.247,470 1.33,472 2.814,473 1.207,474 18.4,475 0.484,476 0.548,477 0.014,478 45.5,479 1.197,480 21,481 0.553,482 24.5,483 0.645,484 41.143,485 1.083,486 41,487 0.526,488 29.491,489 0.776,490 7.497,491 0.197,492 11.385,493 0.3,496 0.272,501 0.929,502 1.32,503 0.919,504 1.114,505 0.733,506 1.032,507 0.892,508 1.223,509 0.997,510 1.135,511 0.758,512 1.086,513 0.959,514 1.109,515 0.834,516 0.937,517 0.793,518 0.885,519 1.266,520 0.989,521 1.023,522 0.944,523 1.115,524 0.96,525 1.379,526 1.041,527 1.155,528 1.041,529 1.269,530 1.072,531 1.167,532 1.018,533 1.201,534 1.12,535 1.23,536 1.156,537 0.81,538 0.954,539 1.063,540 1.074,541 0.952,542 1.087,543 0.721,544 0.875,545 0.944,546 0.967,547 0.801,548 0.973,549 3.5,550 0.107,551 3.333,552 2.25,553 2.16,554 0.708,555 0.478,556 0.229,557 0.172,558 0.134,559 30459,560 58405,561 2.225,562 51.3,563 20,564 8,566 2,567 2,568 4,569 4,572 1.778,573 2.192,574 3.814,575 0.071,582 101.874,583 1.306,584 3.071,585 4.023,586 4.67,587 4.875,588 4.875,589 3.005,590 3.616,591 5.232,592 4.122,593 2898.04,594 9.149,595 54919,600 490.261,601 0.831,602 5.222,603 0.081,604 0.004,605 0.057,606 0.036,607 0.037,608 0.013,609 0.011,610 0.007,611 0.006,612 0.005,613 0.257,614 0.17,615 0.5,617 218.283,618 0.019,619 -0.096,620 0.073,621 0.003,622 0.174,623 0.036,624 0.106,625 -0.104,626 -0.005,627 -0.083,628 0.19,629 -0.058,630 0.083,631 -0.101,632 0.16,633 0.052,634 0.189,635 0.102,636 0.045,637 0.064,638 -0.007,639 0.014,640 0.026,641 0.002,642 -0.208,643 0.006,644 -0.152,645 -0.06,646 -0.221,647 -0.094,648 -0.201,649 -0.025,650 -0.218,651 -0.128,652 -0.258,653 -0.167,654 -0.064,655 -0.044,656 -0.099,657 -0.081,658 -0.128,659 -0.091,660 0.003,661 0.002,662 0.018,663 0.014,664 -0.03,665 0.017,666 0.777,667 1.862,668 0.737,669 41.008,670 0.982,671 1.129,672 4.663,673 21.744,674 0.654,675 3.784,676 4.078,677 4.407,678 4.727,679 5.024,680 5.094,681 5.226,682 5.323,683 5.375,684 5.209,685 10.107,686 0.604,687 508.78,688 3.784,689 5.313,690 6.176,691 7.055,692 7.941,693 8.834,694 9.729,695 10.628,696 11.528,697 12.431,698 7.7,703 2,708 4,714 4,715 6,716 4,720 6,722 22,734 2,741 78,743 22,745 43,747 83,748 32,749 16,756 6,757 12,767 8,770 14,772 16,773 16,793 40,794 6,795 2,796 6,802 6,808 0.333,822 4,829 6,833 4,859 2,868 38,876 16,877 2,901 17.333,902 13.8,903 8.472,904 5.669,907 4.634,908 1.519,909 1.022,910 8.193,911 13.563,912 4.007,913 4.605,914 5.263,915 5.911,916 6.538,917 6.871,918 7.251,919 7.595,920 7.89,921 7.693,922 0.9,923 63,924 14.144,926 6.004,927 0.026,929 7.333,931 28.627,933 24.604,936 1.833,937 69.667,941 447.302,942 121.669,943 103.164,948 121.669,949 447.302,950 103.164,952 39.695,953 37.905,954 126.706,955 44.07,957 423.76,959 447.302,960 224.833,964 403.648,965 47.084,968 63.303,969 54.936,970 103.164,972 447.302,973 103.164,974 121.669,977 447.302,978 65.67,979 56,980 36.022,981 67.142,982 447.302,983 103.164,984 121.669,986 0.562,987 0.336,988 0.202,989 0.118,990 28,991 10,992 0.133,993 11,994 4,995 1.286,996 5.128,997 364.265,998 0.286,999 28,1000 161.421,1005 25.349,1006 12.283,1007 5.752,1008 4.14,1009 103.164,1010 12.107,1011 18.797,1015 7.978,1017 36.022,1018 672.135,1019 54,1031 76.632,1032 88.048,1034 0.208,1035 0.489,1036 0.64,1037 0.743,1038 0.776,1039 0.776,1040 5.234,1041 1.653,1042 6.12,1043 3.865,1044 4.762,1045 5.293,1046 0.495,1047 6.936,1048 4.707,1049 6.407,1050 1.529,1051 7.665,1052 3.553,1053 4.111,1054 5.094,1056 7.861,1057 4.031,1058 7.709,1059 1.514,1060 9.325,1061 3.335,1062 6.33,1063 7.56,1064 0.097,1065 11.05,1066 6.223,1067 9.059,1068 1.347,1069 11.059,1070 3.329,1071 6.635,1072 8.307,1074 12.888,1075 6.504,1076 10.454,1077 1.347,1078 12.843,1079 3.329,1080 8.224,1081 10.199,1082 0.016,1083 15.568,1084 8.069,1085 11.88,1086 1.308,1087 14.66,1088 3.176,1089 8.999,1090 11.369,1092 17.754,1093 8.821,1094 13.329,1095 1.247,1096 16.5,1097 2.902,1098 10.326,1099 13.036,1100 0.003,1101 20.269,1102 10.125,1103 3.226,1104 1.247,1105 18.356,1106 2.902,1107 11.322,1108 14.397,1110 22.595,1111 11.097,1112 3.226,1113 11.348,1114 20.224,1115 2.814,1116 12.545,1117 15.974,1119 25.054,1120 12.297,1121 2.532,1122 11.348,1123 22.101,1124 4.564,1125 13.639,1126 17.421,1128 27.437,1129 13.367,1130 2.532,1131 8.37,1132 23.985,1133 4.564,1134 14.825,1135 18.961,1137 29.877,1138 14.529,1139 2.184,1140 8.37,1141 25.874,1142 3.437,1143 15.961,1144 20.447,1146 32.285,1147 15.64,1148 2.18,1149 6.711,1150 27.768,1151 3.437,1152 17.134,1153 21.973,1155 34.717,1156 16.789,1157 1.894,1158 6.711,1159 29.665,1160 2.893,1161 18.289,1162 23.476,1164 37.137,1165 17.919,1166 27290,1167 37992,1168 30.394,1169 50.978,1170 62.793,1171 63.388,1172 64.15,1173 63.007,1174 62.986,1175 80.032,1176 1.6,1177 175.726,1178 61.249,1179 5.608,1180 5.361,1181 6.753,1182 5.251,1183 5.226,1184 7.564,1185 0.8,1186 18.879,1187 5.148,1189 1.46,1190 1.474,1191 1.492,1192 1.465,1193 1.465,1194 1.861,1195 0.037,1196 4.087,1197 1.424,1198 4.123,1199 4.161,1200 4.084,1201 4.027,1202 5.073,1203 4.036,1204 4.076,1205 4.111,1206 4.043,1207 3.983,1208 5.042,1209 3.993,1210 3.78,1211 3.846,1212 3.624,1213 3.656,1214 4.473,1215 3.638,1216 3.719,1217 3.772,1218 3.606,1219 3.616,1220 4.466,1221 3.607,1222 3.717,1223 3.77,1224 3.601,1225 3.615,1226 4.283,1227 3.606,1228 3.601,1229 3.679,1230 3.438,1231 3.44,1232 4.239,1233 3.428,1234 3.388,1235 3.472,1236 3.242,1237 3.206,1238 4.075,1239 3.204,1240 3.254,1241 3.32,1242 3.119,1243 3.125,1244 3.984,1245 3.116,1246 0.108,1247 0.078,1248 0.159,1249 0.098,1250 0.075,1251 4.64,1252 0.106,1253 3.361,1254 0.009,1255 6.829,1256 0.264,1257 4.202,1258 0.073,1259 3.226,1260 4.564,1261 0.4,1262 11.348,1263 3.148,1264 2.044,1265 2.014,1266 2.137,1267 2.158,1268 1.433,1269 2.152,1270 2.044,1271 2.014,1272 2.134,1273 2.157,1274 1.427,1275 2.15,1276 1.792,1277 1.73,1278 2.04,1279 1.953,1280 1.398,1281 1.986,1282 1.726,1283 1.677,1284 1.917,1285 1.865,1286 1.213,1287 1.888,1288 1.725,1289 1.677,1290 1.909,1291 1.863,1292 1.08,1293 1.885,1294 1.606,1295 1.534,1296 1.865,1297 1.804,1298 1.06,1299 1.829,1300 1.37,1301 1.294,1302 1.646,1303 1.603,1304 0.903,1305 1.622,1306 1.253,1307 1.196,1308 1.479,1309 1.433,1310 0.75,1311 1.452,1312 4.466,1314 5.765,1316 7.287,1318 8.925,1320 10.63,1328 19.076,1329 7.569,1340 47.084,1341 101.874,1342 239.532,1343 313.823,1344 364.261,1345 380.261,1346 380.261,1347 53.418,1348 8.928,1349 75.62,1350 75.62,1351 36,1352 12.952,1353 4.524,1354 3.585,1355 53.768,1356 245,1357 142,1358 0.104,1359 284.857,1360 484,1361 686.811,1362 149190,1364 25.572,1365 0.673,1366 0.594,1367 25.572,1368 22.567,1369 18.882,1370 0.439,1371 0.346,1372 14.788,1373 18.489,1374 14.531,1375 12.032,1376 18.882,1377 14.89,1378 16.038,1379 0.277,1380 0.189,1381 16.038,1382 10.962,1383 14.107,1384 0.174,1385 0.102,1386 14.107,1387 8.282,1388 12.46,1389 0.111,1390 0.056,1391 12.46,1392 6.295,1393 10.907,1394 0.072,1395 0.032,1396 10.907,1397 4.796,1398 0.174,1399 115.926,1400 0.181,1401 35.574,1402 0.259,1403 202,1404 429.246,1405 213.101,1406 429.539,1407 621.36,1408 410,1409 240,1410 483.944,1411 252.323,1412 492.004,1413 731.58,1414 470,1415 8.721}
{0 CHEMBL76014,1 1.253,2 14.943,3 7.608,4 57.879,5 146.604,6 6.545,7 0.55,8 4.337,9 4.472,10 3.815,11 3.94,12 5.241,13 3.88,14 4.929,15 5.12,16 4.167,17 4.375,18 5.758,19 4.28,20 5.231,21 5.493,22 4.22,23 4.478,24 5.992,25 4.352,26 5.185,27 5.439,28 4.175,29 4.447,30 5.967,31 4.325,32 5.21,33 5.456,34 4.062,35 4.493,36 5.926,37 4.334,38 5.296,39 5.57,40 3.903,41 4.491,42 5.928,43 4.282,44 5.28,45 5.594,46 3.669,47 4.349,48 5.836,49 4.104,50 5.076,51 5.392,52 3.578,53 4.166,54 5.639,55 3.943,56 0.083,57 1.023,58 16.591,59 6.962,60 10.047,61 9.946,62 0.167,63 1.76,64 30.615,65 12.363,66 19.383,67 17.921,68 0.287,69 2.253,70 42.533,71 15.699,72 32.433,73 23.415,74 0.381,75 2.199,76 40.869,77 14.366,78 36.02,79 21.544,80 0.288,81 2.196,82 41.368,83 16.012,84 28.049,85 23.483,86 0.253,87 2.263,88 44.931,89 18.606,90 28.43,91 26.963,92 0.26,93 2.125,94 44.662,95 18.148,96 29.027,97 26.524,98 0.25,99 1.746,100 36.486,101 14.649,102 24.122,103 21.423,105 55,106 0.194,107 0.483,108 0.622,109 0.728,110 0.749,111 0.749,112 3.588,113 1.025,114 -5.64,115 -5.51,116 -5.14,121 43.7,123 11,127 2,144 8,145 4,146 2,148 4,176 18,180 8,185 6,187 19,192 8,197 6,200 10,206 2,209 2,211 10,214 17,224 4,227 22,232 2,237 2,239 24,244 2,251 18,256 2,260 1,264 18,269 2,277 14,281 2124,282 24.811,283 24.811,284 24.811,285 24.811,286 24.811,287 22.236,288 23.565,289 15.146,290 25.034,291 19.856,292 19.856,293 19.856,294 19.856,295 19.856,296 15.808,297 27.757,298 7.245,299 20.239,300 4.897,301 3.04,302 2.142,303 1.458,304 1.324,305 1.324,306 4.315,312 1,313 1198,314 3.742,317 138.223,318 350.067,321 264.723,322 296.919,325 2.021,326 15.214,329 0.75,330 0.5,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.77,337 72,338 523,339 4.644,340 3.372,341 6.832,342 4.214,343 3.234,344 4.565,345 0.4,346 11.354,347 3.169,348 4.644,349 3.372,350 6.832,351 4.214,352 3.233,353 4.565,354 0.4,355 11.354,356 3.169,357 3.926,358 2.684,359 5.989,360 3.539,361 2.547,362 3.449,364 8.393,365 2.526,366 3.926,367 2.684,368 5.989,369 3.539,370 2.547,371 3.449,373 8.393,374 2.526,375 3.518,376 2.345,377 5.38,378 3.13,379 2.177,380 2.89,382 6.701,383 2.074,384 3.518,385 2.341,386 5.38,387 3.122,388 2.17,389 2.89,391 6.701,392 2.064,393 2.942,394 1.91,395 4.078,396 2.862,397 1.869,398 2.143,400 3.836,401 1.855,402 2.938,403 1.731,404 4.077,405 2.562,406 1.587,407 2.143,409 3.475,410 1.546,411 2.893,412 1.552,413 3.984,414 2.463,415 1.475,416 1.904,418 3.255,419 1.456,420 2.671,421 1.479,422 3.929,423 2.45,424 1.457,425 1.699,427 3.122,428 1.445,429 2.574,430 1.387,431 3.791,432 2.215,433 1.237,434 1.6,436 3.115,437 1.209,438 2.498,439 1.353,440 3.629,441 2.158,442 1.162,443 1.497,445 3.067,446 1.157,447 2.283,448 1.316,449 3.567,450 2.11,451 1.125,452 1.264,454 2.7,455 1.106,456 2.238,457 1.149,458 3.487,459 2.096,460 1.108,461 1.218,463 2.507,464 1.094,465 2.145,466 1.099,467 3.419,468 2.062,469 1.074,470 1.131,472 2.353,473 1.059,474 17.1,475 0.489,476 0.548,477 0.016,478 43,479 1.229,480 21,481 0.6,482 22,483 0.629,484 35.382,485 1.011,486 36.9,487 0.52,488 27.506,489 0.786,490 7.34,491 0.21,492 10.042,493 0.287,496 0.292,501 0.983,502 1.183,503 0.917,504 1.029,505 0.813,506 0.979,507 1.001,508 1.234,509 0.995,510 1.106,511 0.845,512 1.06,513 1.167,514 1.094,515 0.888,516 0.928,517 0.974,518 0.896,519 1.582,520 0.964,521 1.051,522 0.903,523 1.291,524 0.934,525 1.363,526 1.042,527 1.222,528 1.109,529 1.189,530 1.147,531 0.831,532 1.062,533 1.153,534 1.175,535 1.003,536 1.184,537 0.705,538 0.926,539 0.988,540 1.016,541 0.852,542 1.021,543 0.712,544 0.8,545 0.904,546 0.894,547 0.793,548 0.909,549 3.5,550 0.089,551 3.333,552 2,553 1.956,554 0.674,555 0.361,556 0.224,557 0.169,558 0.132,559 24342,560 45072,561 2.246,562 50.7,563 14,564 12,567 2,568 4,569 4,572 1.758,573 2.211,574 3.699,575 0.049,582 88.935,583 1.253,584 3.109,585 4.008,586 4.692,587 4.826,588 4.826,589 2.923,590 4.044,591 5.113,592 4.004,593 2382.19,594 8.912,595 41902.6,600 436.632,601 0.863,602 5.103,603 0.087,604 0.004,605 0.061,606 0.036,607 0.037,608 0.015,609 0.01,610 0.008,611 0.006,612 0.005,613 0.268,614 0.33,615 0.63,617 195.38,618 0.015,619 -0.019,620 0.071,621 0.04,622 0.128,623 0.056,624 0.02,625 -0.144,626 -0.006,627 -0.076,628 0.11,629 -0.049,630 0.064,631 -0.07,632 0.117,633 0.04,634 0.149,635 0.074,636 -0.054,637 0.113,638 -0.027,639 0.044,640 -0.045,641 0.016,642 -0.252,643 -0.008,644 -0.23,645 -0.121,646 -0.248,647 -0.165,648 -0.103,649 -0.116,650 -0.187,651 -0.171,652 -0.19,653 -0.182,655 -0.036,656 -0.022,657 -0.033,658 -0.059,659 -0.03,660 0.07,661 0.1,662 0.068,663 0.083,664 0.02,665 0.077,666 0.532,667 1.911,668 0.743,669 34.988,670 0.98,671 1.122,672 4.411,673 19.456,674 0.665,675 3.714,676 4.025,677 4.369,678 4.7,679 4.934,680 5.05,681 5.176,682 5.257,683 5.209,684 5.1,685 9.34,686 0.613,687 464.71,688 3.714,689 5.252,690 6.125,691 7.013,692 7.906,693 8.806,694 9.707,695 10.612,696 11.518,697 12.425,698 5.6,703 2,708 2,714 4,715 8,716 2,720 6,722 22,734 2,741 71,743 22,744 2,745 40,747 76,748 31,749 18,750 4,751 8,756 6,757 12,767 6,770 11,772 18,773 13,793 36,794 4,795 2,796 4,802 4,808 0.333,822 2,828 2,829 4,832 2,833 2,859 2,868 35,876 13,877 2,901 15.833,902 12.567,903 7.722,904 5.075,907 4.617,908 1.528,909 1.043,910 6.755,911 13.367,912 3.951,913 4.575,914 5.247,915 5.903,916 6.511,917 6.859,918 7.239,919 7.578,920 7.822,921 7.653,922 1,923 56,924 13.027,926 5.58,927 0.026,929 7.305,931 26.437,933 22.989,936 1.805,937 63.167,941 400.217,942 134.734,943 69.593,948 134.734,949 400.217,950 69.593,952 32.091,953 75.81,954 69.593,955 26.832,957 400.217,959 400.217,960 204.326,964 353.133,965 47.084,968 41.893,969 92.841,970 69.593,972 400.217,973 69.593,974 134.734,977 400.217,978 58.924,979 75.81,980 36.022,981 33.571,982 400.217,983 69.593,984 134.734,986 0.568,987 0.343,988 0.205,989 0.112,990 28,991 10,992 0.132,993 10,994 4,995 1.308,996 4.888,997 330.293,998 0.308,999 26,1000 145.525,1005 22.646,1006 10.44,1007 4.702,1008 4.843,1009 69.593,1010 17.197,1011 9.822,1015 8.251,1017 36.022,1018 604.544,1019 51,1031 69.545,1032 79.636,1034 0.204,1035 0.506,1036 0.652,1037 0.763,1038 0.785,1039 0.785,1040 5.185,1041 1.587,1042 6.08,1043 3.836,1044 4.71,1045 5.263,1046 0.495,1047 6.913,1048 4.67,1049 6.372,1050 1.475,1051 7.637,1052 3.475,1053 4.111,1054 5.094,1056 7.861,1057 4.05,1058 7.684,1059 1.457,1060 9.306,1061 3.255,1062 6.297,1063 7.55,1064 0.097,1065 11.045,1066 6.218,1067 9.044,1068 1.237,1069 11.048,1070 3.122,1071 6.661,1072 8.314,1074 12.895,1075 6.562,1076 10.446,1077 1.162,1078 12.837,1079 3.115,1080 8.214,1081 10.199,1082 0.016,1083 15.57,1084 8.097,1085 11.878,1086 1.125,1087 14.658,1088 3.067,1089 9.026,1090 11.375,1092 17.761,1093 8.89,1094 13.332,1095 1.108,1096 16.5,1097 2.7,1098 10.334,1099 13.04,1100 0.003,1101 20.275,1102 10.179,1103 3.234,1104 1.074,1105 18.358,1106 2.507,1107 11.349,1108 14.403,1110 22.602,1111 11.174,1112 3.233,1113 11.354,1114 20.227,1115 2.353,1116 12.564,1117 15.979,1119 25.061,1120 12.37,1121 2.547,1122 11.354,1123 22.105,1124 4.565,1125 13.668,1126 17.427,1128 27.445,1129 13.453,1130 2.547,1131 8.393,1132 23.989,1133 4.565,1134 14.851,1135 18.967,1137 29.884,1138 14.616,1139 2.177,1140 8.393,1141 25.879,1142 3.449,1143 15.993,1144 20.453,1146 32.293,1147 15.737,1148 2.17,1149 6.701,1150 27.774,1151 3.449,1152 17.166,1153 21.979,1155 34.726,1156 16.89,1157 1.869,1158 6.701,1159 29.672,1160 2.89,1161 18.324,1162 23.482,1164 37.146,1165 18.027,1166 21630,1167 29584,1168 28.315,1169 47.205,1170 58.907,1171 59.863,1172 60.174,1173 59.289,1174 59.269,1175 76.343,1176 1.6,1177 168.414,1178 58.096,1179 5.609,1180 5.372,1181 6.74,1182 5.26,1183 5.234,1184 7.565,1185 0.8,1186 18.889,1187 5.169,1189 1.473,1190 1.497,1191 1.504,1192 1.482,1193 1.482,1194 1.909,1195 0.04,1196 4.21,1197 1.452,1198 4.141,1199 4.172,1200 4.099,1201 4.067,1202 4.993,1203 4.071,1204 4.096,1205 4.125,1206 4.059,1207 4.026,1208 4.959,1209 4.03,1210 3.767,1211 3.834,1212 3.62,1213 3.649,1214 4.422,1215 3.635,1216 3.714,1217 3.759,1218 3.609,1219 3.638,1220 4.419,1221 3.625,1222 3.713,1223 3.759,1224 3.593,1225 3.628,1226 4.28,1227 3.612,1228 3.558,1229 3.639,1230 3.395,1231 3.388,1232 4.219,1233 3.377,1234 3.317,1235 3.403,1236 3.171,1237 3.136,1238 4.015,1239 3.134,1240 3.155,1241 3.222,1242 3.013,1243 3.036,1244 3.914,1245 3.023,1246 0.116,1247 0.084,1248 0.171,1249 0.105,1250 0.081,1251 4.644,1252 0.114,1253 3.372,1254 0.01,1255 6.832,1256 0.284,1257 4.214,1258 0.079,1259 3.234,1260 4.565,1261 0.4,1262 11.354,1263 3.169,1264 2.039,1265 2.016,1266 2.112,1267 2.125,1268 1.394,1269 2.122,1270 2.038,1271 2.015,1272 2.106,1273 2.123,1274 1.281,1275 2.119,1276 1.779,1277 1.716,1278 2.022,1279 1.94,1280 1.261,1281 1.972,1282 1.597,1283 1.537,1284 1.845,1285 1.782,1286 1.169,1287 1.806,1288 1.562,1289 1.502,1290 1.832,1291 1.731,1292 1.169,1293 1.769,1294 1.543,1295 1.477,1296 1.818,1297 1.719,1298 1.129,1299 1.758,1300 1.51,1301 1.466,1302 1.671,1303 1.635,1304 0.866,1305 1.651,1306 1.469,1307 1.416,1308 1.645,1309 1.595,1310 0.855,1311 1.615,1312 4.394,1314 5.707,1315 3.045,1316 7.228,1317 5.283,1318 8.861,1319 7.298,1320 10.562,1328 15.466,1329 7.588,1340 43.514,1341 88.935,1342 220.769,1343 284.574,1344 333.122,1345 342.632,1346 342.632,1347 45.301,1348 8.75,1349 49.84,1350 49.84,1351 34,1352 12.943,1353 4.524,1354 3.585,1355 47.675,1356 208,1357 126,1358 0.109,1359 261.676,1360 444.7,1361 630.249,1362 115660,1364 23.451,1365 0.67,1366 0.592,1367 23.451,1368 20.706,1369 17.382,1370 0.435,1371 0.342,1372 13.6,1373 17.124,1374 13.343,1375 11.025,1376 17.382,1377 13.67,1378 14.978,1379 0.272,1380 0.185,1381 14.978,1382 10.187,1383 13.357,1384 0.171,1385 0.1,1386 13.357,1387 7.796,1388 11.942,1389 0.11,1390 0.055,1391 11.942,1392 6.033,1393 9.714,1394 0.07,1395 0.03,1396 9.714,1397 4.074,1398 0.182,1399 106.018,1400 0.188,1401 33.182,1402 0.273,1403 190,1404 377.956,1405 197.549,1406 382.693,1407 559.28,1408 366,1409 228,1410 439.014,1411 236.659,1412 448.788,1413 668.74,1414 430,1415 7.125}
{0 CHEMBL76108,1 1.354,2 13.893,3 4.349,4 18.91,5 115.941,6 6.527,7 0.387,8 4.13,9 4.258,10 3.594,11 3.683,12 5.075,13 3.632,14 4.724,15 4.918,16 3.922,17 4.105,18 5.585,19 4.021,20 5.009,21 5.242,22 3.933,23 4.26,24 5.842,25 4.125,26 5.078,27 5.344,28 3.765,29 4.221,30 5.853,31 4.043,32 5.016,33 5.311,34 3.678,35 4.112,36 5.738,37 3.929,38 4.863,39 5.117,40 3.655,41 4.008,42 5.736,43 3.856,44 4.795,45 5.048,46 3.527,47 3.952,48 5.61,49 3.784,50 4.768,51 5.051,52 3.46,53 3.88,54 5.435,55 3.708,56 0.054,57 0.806,58 13.664,59 5.83,60 7.612,61 8.074,62 0.198,63 1.363,64 25.582,65 9.77,66 17.686,67 13.894,68 0.254,69 1.698,70 34.145,71 13.239,72 33.443,73 18.888,74 0.295,75 1.725,76 36.825,77 14.146,78 39.348,79 20.31,80 0.248,81 1.58,82 34.558,83 13.311,84 29.942,85 19.32,86 0.381,87 1.361,88 30.026,89 11.267,90 40.669,91 15.9,92 0.294,93 1.293,94 27.835,95 10.633,96 36.45,97 15.104,98 0.232,99 1.246,100 27.071,101 10.092,102 21.713,103 14.652,104 6,105 42,106 0.222,107 0.535,108 0.754,109 0.841,110 0.841,111 0.841,112 3.373,113 1.013,114 -4.75,115 -4.66,116 -4.38,121 41.4,123 5,124 1,126 1,127 4,144 7,145 3,146 2,159 1,176 13,180 7,185 3,187 14,192 8,197 2,200 11,206 7,211 1,214 8,219 4,227 12,231 1,235 1,237 1,239 14,243 1,244 1,249 1,251 10,256 4,261 1,264 6,269 4,274 2,277 3,281 1288,282 19.334,283 19.334,284 19.334,285 19.334,286 19.334,287 17.794,288 26.061,289 11.435,290 19.652,291 15.242,292 15.242,293 15.242,294 15.242,295 15.242,296 12.772,297 31.235,298 5.384,299 15.639,300 4.504,301 2.602,302 1.266,303 0.737,304 0.737,305 0.737,306 4.075,311 1,312 1,313 856,314 3.24,317 78.33,318 289.046,321 135.189,325 2.344,326 18.445,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 59,338 389,339 4.342,340 3.607,341 6.257,342 3.986,343 2.989,344 3.981,345 1.277,346 9.438,347 2.985,348 4.052,349 3.075,350 5.904,351 3.721,352 2.754,353 3.64,354 0.916,355 8.171,356 2.674,357 3.908,358 3.038,359 5.638,360 3.628,361 2.626,362 3.247,363 0.86,364 7.842,365 2.622,366 3.669,367 2.815,368 5.401,369 3.515,370 2.536,371 2.829,372 0.4,373 7.113,374 2.487,375 3.453,376 2.485,377 5.217,378 3.227,379 2.271,380 2.571,381 0.172,382 6.601,383 2.152,384 3.085,385 2.175,386 4.882,387 2.891,388 1.94,389 2.13,391 5.635,392 1.835,393 2.893,394 1.958,395 4.405,396 2.528,397 1.535,398 2.027,400 4.286,401 1.527,402 2.849,403 1.759,404 4.163,405 2.492,406 1.487,407 1.886,409 3.776,410 1.484,411 2.5,412 1.251,413 3.438,414 2.022,415 1.057,416 1.5,418 2.385,419 1.018,420 2.178,421 1.174,422 3.414,423 2,424 1,425 1.151,427 2.275,428 1,429 2,430 1.077,431 3.414,432 1.984,433 1,434 1,436 2.275,437 0.983,438 1.809,439 1.075,440 3.164,441 1.637,442 0.656,443 0.724,445 1.447,446 0.633,447 1.697,448 1,449 3.023,450 1.461,451 0.545,452 0.606,454 1.032,455 0.496,456 1.613,457 0.602,458 2.902,459 1.344,460 0.36,461 0.426,463 0.822,464 0.352,465 1.178,466 0.442,467 2.591,468 0.993,469 0.034,470 0.037,472 0.071,473 0.032,474 13.467,475 0.481,476 0.55,477 0.02,478 32,479 1.143,480 14.5,481 0.518,482 17.5,483 0.625,484 26.078,485 0.931,486 30.933,487 0.533,488 21.035,489 0.751,490 5.973,491 0.213,492 7.735,493 0.276,494 0.062,496 0.29,501 0.779,502 1.304,503 0.909,504 1.15,505 0.563,506 1.055,507 1.118,508 1.084,509 1.031,510 1.007,511 0.651,512 1,513 0.968,514 1.121,515 1.084,516 1.12,517 0.893,518 1.112,519 0.935,520 1.064,521 1.072,522 1.09,523 1.151,524 1.096,525 0.67,526 0.912,527 0.845,528 0.934,529 0.975,530 0.911,531 1.164,532 0.948,533 1.041,534 0.99,535 1.838,536 1.01,537 1.079,538 1.068,539 1.124,540 1.098,541 1.677,542 1.12,543 0.922,544 0.919,545 0.946,546 0.927,547 0.532,548 0.935,549 5.5,550 0.127,551 2.889,552 1.007,553 1.293,554 0.684,555 0.453,556 0.298,557 0.174,558 0.153,559 12200,560 25759,561 2.137,562 51.7,563 3,564 18,567 1,568 2,569 6,572 1.701,573 2.049,574 3.741,575 -0.429,577 1,582 78.517,583 1.354,584 3.256,585 4.592,586 5.121,587 5.121,588 5.121,589 3.271,590 4.307,591 4.778,592 3.932,593 1486.43,594 8.257,595 21154.1,597 1,599 1,600 339.763,601 1.198,602 4.76,603 0.177,604 0.007,605 0.069,606 0.025,607 0.04,608 0.023,609 0.016,610 0.012,611 0.007,612 0.007,613 0.383,614 0.33,615 1,616 0.615,617 145.31,618 0.011,619 -0.094,620 0.066,621 -0.021,622 0.027,623 0.02,624 -0.108,625 0.047,626 -0.034,627 0.028,628 0.009,629 0.011,630 -0.07,631 -0.085,632 -0.109,633 -0.106,634 0.021,635 -0.109,636 -0.061,637 -0.097,638 -0.104,639 -0.103,640 -0.067,641 -0.107,642 0.05,643 0.015,644 0.11,645 0.038,646 0.004,647 0.076,648 0.045,649 0.01,650 -0.041,651 -0.007,652 -0.1,653 -0.033,654 -0.032,655 -0.098,656 -0.14,657 -0.106,658 -0.17,659 -0.134,660 -0.036,661 0.033,662 0.027,663 0.038,664 -0.015,665 0.04,666 1.365,667 5.604,668 0.75,669 31.357,670 0.987,671 1.125,672 3.516,673 12.363,674 0.648,675 3.466,676 3.761,677 4.007,678 4.205,679 4.407,680 4.419,681 4.5,682 4.564,683 4.511,684 4.605,685 8.057,686 0.601,687 378.56,688 3.466,689 4.99,690 5.826,691 6.678,692 7.526,693 8.38,694 9.231,695 10.086,696 10.939,697 11.794,698 3.4,701 1,703 1,715 7,720 5,722 12,727 1,734 1,739 1,741 58,743 13,744 2,745 31,747 61,748 24,749 12,750 5,751 7,752 1,756 4,757 5,767 3,768 1,770 5,772 13,773 11,774 1,777 1,782 1,786 1,790 1,793 30,794 4,795 1,796 4,802 2,808 0.75,809 2,828 1,829 3,832 1,855 1,859 3,864 1,868 28,876 9,877 1,878 1,880 1,881 1,893 3.4,896 1,898 1,901 13.667,902 10.45,903 6.222,904 3.737,907 2.046,908 1.271,909 0.982,910 6.211,911 9.604,912 3.664,913 4.174,914 4.668,915 5.119,916 5.602,917 5.672,918 5.826,919 5.842,920 5.729,921 5.906,922 1,923 40,924 10.428,926 4.396,927 0.026,929 7.494,931 20.771,933 17.59,936 1.994,937 55.833,939 1,940 1,941 341.362,942 121.003,943 21.135,945 36.145,948 121.003,949 377.507,950 21.135,951 10.883,952 21.095,953 66.334,954 48.289,955 31.681,957 341.362,959 341.362,960 142.138,961 36.145,964 270.735,965 106.771,968 24.22,969 99.907,970 18.011,972 341.362,973 57.28,974 121.003,977 341.362,978 43.786,979 80.341,980 18.011,981 36.145,982 341.362,983 57.28,984 121.003,986 0.576,987 0.336,988 0.17,989 0.091,990 20,991 8,992 0.115,993 7,994 1,995 1.095,996 4.234,997 229.237,998 0.095,999 21,1000 126.606,1005 19.322,1006 9,1007 4.899,1009 57.28,1010 14.496,1015 5.616,1017 18.011,1018 519.644,1019 38,1024 12.604,1028 0.301,1031 57.229,1032 65.228,1034 0.231,1035 0.556,1036 0.784,1037 0.874,1038 0.874,1039 0.874,1040 4.898,1041 1.487,1042 5.784,1043 4.286,1044 4.443,1045 4.86,1046 2.024,1047 6.529,1048 4.401,1049 6.051,1050 1.057,1051 7.302,1052 3.776,1053 3.892,1054 4.527,1055 0.325,1056 7.273,1057 3.845,1058 7.325,1059 1,1060 8.912,1061 2.385,1062 5.984,1063 6.914,1064 2.132,1065 10.3,1066 5.913,1067 8.63,1068 1,1069 10.575,1070 2.275,1071 6.256,1072 7.401,1073 0.393,1074 11.846,1075 6.184,1076 9.966,1077 0.656,1078 12.271,1079 2.275,1080 7.769,1081 9.264,1082 2.417,1083 14.354,1084 7.679,1085 11.323,1086 0.545,1087 13.99,1088 1.447,1089 8.423,1090 10.132,1091 0.384,1092 16.246,1093 8.335,1094 12.696,1095 0.36,1096 15.726,1097 1.032,1098 9.686,1099 11.768,1100 2.793,1101 18.566,1102 9.586,1103 2.989,1104 0.034,1105 17.474,1106 0.822,1107 10.535,1108 12.839,1109 0.351,1110 20.623,1111 10.437,1112 2.754,1113 9.438,1114 19.231,1115 0.071,1116 11.684,1117 14.357,1118 3.22,1119 22.873,1120 11.578,1121 2.626,1122 8.171,1123 20.996,1124 3.981,1125 12.634,1126 15.546,1127 0.312,1128 25.012,1129 12.53,1130 2.536,1131 7.842,1132 22.767,1133 3.64,1134 13.731,1135 16.999,1136 3.676,1137 27.239,1138 13.623,1139 2.271,1140 7.113,1141 24.545,1142 3.247,1143 14.736,1144 18.257,1145 0.273,1146 29.42,1147 14.628,1148 1.94,1149 6.601,1150 26.327,1151 2.829,1152 15.812,1153 19.674,1154 4.146,1155 31.643,1156 15.702,1157 1.535,1158 5.635,1159 28.113,1160 2.571,1161 16.846,1162 20.975,1163 0.236,1164 33.848,1165 16.738,1166 11358,1167 16589,1168 21.266,1169 37.58,1170 45.771,1171 47.168,1172 46.573,1173 45.534,1174 45.576,1175 55.512,1176 7.253,1177 126.339,1178 44.56,1179 5.342,1180 5.607,1181 5.81,1182 5.021,1183 4.989,1184 6.981,1185 2.555,1186 15.798,1187 4.985,1188 10.137,1189 1.476,1190 1.522,1191 1.502,1192 1.469,1193 1.47,1194 1.791,1195 0.234,1196 4.075,1197 1.437,1198 4.032,1199 4.067,1200 3.969,1201 3.951,1202 7.427,1203 3.951,1204 3.95,1205 3.989,1206 3.878,1207 3.864,1208 4.868,1209 3.863,1210 3.832,1211 3.875,1212 3.72,1213 3.724,1214 4.746,1215 3.715,1216 3.586,1217 3.635,1218 3.487,1219 3.422,1220 4.415,1221 3.428,1222 3.373,1223 3.438,1224 3.233,1225 3.204,1226 4.272,1227 3.199,1228 3.264,1229 3.328,1230 3.096,1231 3.057,1232 4.083,1233 3.058,1234 3.111,1235 3.206,1236 2.93,1237 2.941,1238 3.848,1239 2.91,1240 3.103,1241 3.179,1242 2.866,1243 2.88,1244 3.682,1245 2.879,1246 0.14,1247 0.116,1248 0.202,1249 0.129,1250 0.096,1251 4.342,1252 0.128,1253 3.607,1254 0.041,1255 6.257,1256 0.304,1257 3.986,1258 0.096,1259 2.989,1260 3.981,1261 1.277,1262 9.438,1263 2.985,1264 1.942,1265 1.912,1266 2.103,1267 2.073,1268 1.485,1269 2.085,1270 1.912,1271 1.889,1272 2.016,1273 1.999,1274 1.21,1275 2.005,1276 1.825,1277 1.78,1278 1.979,1279 1.943,1280 1.158,1281 1.956,1282 1.494,1283 1.438,1284 1.749,1285 1.698,1286 1.027,1287 1.719,1288 1.461,1289 1.385,1290 1.71,1291 1.685,1292 0.938,1293 1.697,1294 1.253,1295 1.199,1296 1.581,1297 1.53,1298 0.825,1299 1.546,1300 1.153,1301 1.064,1302 1.513,1303 1.376,1304 0.689,1305 1.429,1306 1.115,1307 1.039,1308 1.415,1309 1.364,1310 0.561,1311 1.382,1312 4.143,1314 5.442,1315 2.398,1316 6.93,1317 4.595,1318 8.498,1319 6.581,1320 10.105,1322 1.7,1328 9.337,1329 3.355,1330 5.229,1332 0.673,1333 2.521,1340 34.848,1341 78.517,1342 188.843,1343 266.337,1344 297.008,1345 297.008,1346 297.008,1347 44.164,1348 7.559,1349 41.57,1350 41.57,1351 23,1352 12.348,1353 3.807,1354 3,1355 42.926,1356 137,1357 138,1358 0.149,1359 212.502,1360 373.62,1361 510.266,1362 22716,1364 19.347,1365 0.691,1366 0.598,1367 19.347,1368 16.746,1369 13.708,1370 0.442,1371 0.338,1372 10.356,1373 13.31,1374 10.092,1375 8.342,1376 13.708,1377 10.464,1378 11.996,1379 0.286,1380 0.192,1381 11.996,1382 8.078,1383 10.342,1384 0.192,1385 0.115,1386 10.342,1387 6.189,1388 8.093,1389 0.123,1390 0.066,1391 8.093,1392 4.38,1393 6.48,1394 0.08,1395 0.039,1396 6.48,1397 3.134,1398 0.246,1399 85.006,1400 0.217,1401 27.688,1402 0.379,1403 146,1404 347.449,1405 154.785,1406 336.372,1407 461.99,1408 318,1409 169,1410 332.985,1411 178.147,1412 341.484,1413 494.37,1414 321,1415 4.876}
{0 CHEMBL76135,1 1.377,2 13.027,3 7.094,4 50.325,5 147.399,6 7.201,7 0.571,8 4.312,9 4.428,10 3.87,11 3.912,12 5.355,13 3.878,14 4.861,15 5.022,16 4.257,17 4.336,18 5.88,19 4.279,20 5.158,21 5.354,22 4.316,23 4.504,24 6.047,25 4.41,26 5.305,27 5.554,28 4.288,29 4.518,30 6.146,31 4.407,32 5.28,33 5.502,34 4.345,35 4.543,36 6.201,37 4.444,38 5.342,39 5.577,40 4.374,41 4.607,42 6.22,43 4.501,44 5.305,45 5.512,46 4.352,47 4.639,48 6.232,49 4.518,50 5.359,51 5.609,52 4.21,53 4.57,54 6.256,55 4.422,56 0.049,57 0.931,58 14.151,59 6.338,60 10.832,61 8.405,62 0.39,63 1.608,64 26.465,65 10.642,66 37.07,67 14.519,68 0.236,69 2.098,70 37.026,71 14.839,72 34.36,73 20.3,74 0.387,75 2.416,76 45.762,77 16.602,78 48.853,79 23.416,80 0.404,81 2.277,82 43.86,83 16.995,84 55.635,85 23.092,86 0.494,87 2.378,88 47.626,89 18.572,90 58.905,91 25.214,92 0.359,93 2.34,94 43.599,95 18.421,96 49.39,97 25.025,98 0.479,99 2.417,100 48.738,101 19.358,102 68.284,103 26.706,104 5,105 60,106 0.214,107 0.485,108 0.638,109 0.767,110 0.82,111 0.845,112 3.643,113 0.919,114 -6.31,115 -6.15,116 -5.71,121 47.1,122 1,123 1,125 1,127 3,130 1,144 18,145 3,146 3,161 1,176 21,179 2,180 9,183 2,185 2,187 22,192 12,197 2,200 13,206 15,211 3,214 8,218 1,219 15,224 2,227 18,231 1,232 7,237 1,239 29,243 1,244 5,247 1,249 2,251 34,255 1,256 3,259 1,264 28,269 7,274 1,277 22,281 2751,282 25.548,283 25.548,284 25.548,285 25.548,286 25.548,287 22.479,288 32.218,289 15.295,290 25.895,291 20.83,292 20.83,293 20.83,294 20.83,295 20.83,296 16.384,297 48.496,298 7.385,299 21.423,300 4.711,301 2.969,302 1.987,303 1.159,304 0.816,305 0.658,306 4.361,312 1,313 1076,314 3.808,317 142.05,318 421.578,320 115.585,321 128.085,324 175.445,325 2.083,326 22.354,329 0.75,330 0.5,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.73,337 77.5,338 482,339 4.842,340 3.989,341 8.016,342 4.724,343 3.748,344 4.212,345 2.186,346 15.396,347 3.663,348 4.033,349 3.675,350 6.312,351 3.696,352 2.744,353 3.487,354 1.042,355 9.241,356 2.621,357 3.949,358 2.989,359 6.247,360 3.623,361 2.654,362 3.462,363 0.843,364 9.027,365 2.577,366 3.923,367 2.942,368 5.574,369 3.595,370 2.631,371 3.45,372 0.366,373 7.643,374 2.529,375 3.869,376 2.696,377 5.464,378 3.476,379 2.493,380 3.293,381 0.265,382 7.229,383 2.45,384 3.616,385 2.535,386 5.31,387 3.28,388 2.314,389 2.859,390 0.114,391 6.807,392 2.217,393 3.46,394 2.491,395 5.291,396 3.193,397 2.238,398 2.599,400 6.705,401 2.118,402 3.296,403 2.402,404 4.883,405 2.897,406 1.919,407 2.463,409 5.205,410 1.859,411 2.954,412 1.804,413 4.618,414 2.576,415 1.602,416 2.118,418 4.672,419 1.557,420 2.872,421 1.544,422 4.22,423 2.441,424 1.444,425 2.022,427 3.152,428 1.439,429 2.847,430 1.519,431 3.917,432 2.38,433 1.39,434 1.98,436 3.028,437 1.372,438 2.594,439 1.46,440 3.597,441 2.298,442 1.321,443 1.612,445 3.005,446 1.286,447 2.516,448 1.168,449 3.572,450 2.125,451 1.131,452 1.52,454 2.986,455 1.124,456 2.5,457 1,458 3.546,459 2,460 1,461 1.5,463 2.136,464 1,465 2.5,466 1,467 3.247,468 2,469 1,470 1.5,472 2.136,473 1,474 17.867,475 0.483,476 0.832,477 0.022,478 50.75,479 1.372,480 27,481 0.73,482 23.75,483 0.642,484 33.476,485 0.905,486 37.933,487 0.558,488 40.641,489 1.098,490 9.978,491 0.27,492 8.12,493 0.219,494 0.047,495 0.028,496 0.269,501 0.796,502 1.21,503 0.801,504 1.011,505 0.624,506 0.92,507 0.716,508 1.042,509 0.916,510 0.956,511 0.474,512 0.947,513 1.037,514 1.31,515 1.076,516 1.174,517 0.75,518 1.134,519 1.112,520 1.007,521 1.007,522 0.945,523 0.687,524 0.946,525 1.246,526 1.049,527 1.012,528 1.018,529 1.223,530 0.996,531 1.272,532 0.824,533 0.931,534 0.827,535 1.058,536 0.846,537 0.909,538 1.086,539 1.096,540 1.143,541 0.94,542 1.145,543 1.025,544 0.912,545 1.053,546 0.995,547 1.346,548 1.025,549 7,550 0.212,551 3.556,552 3.458,553 1.984,554 1.626,555 1.119,556 0.633,557 0.5,558 0.29,559 21595,560 48407,561 2.19,562 45.6,563 3,564 24,565 1,567 1,569 2,572 1.786,573 2.104,574 3.623,575 -0.472,582 93.613,583 1.377,584 3.118,585 4.101,586 4.929,587 5.271,588 5.429,589 3.115,590 4.777,591 5.17,592 3.821,593 2544.72,594 9.139,595 40466.9,600 413.947,601 1.284,602 5.16,603 0.167,604 0.005,605 0.059,606 0.057,607 0.034,608 0.026,609 0.017,610 0.01,611 0.009,612 0.006,613 0.391,614 0.33,615 0.63,616 0.368,617 201.682,618 0.009,619 -0.113,620 0.071,621 -0.023,622 -0.029,623 0.021,624 0.287,625 0.062,626 0.011,627 0.004,628 0.188,629 -0.016,630 -0.059,631 -0.27,632 -0.123,633 -0.204,634 -0.039,635 -0.178,636 -0.07,637 0.039,638 -0.001,639 0.002,640 0.077,641 0.013,642 -0.017,643 -0.05,644 -0.014,645 -0.044,646 -0.007,647 -0.031,648 -0.056,649 0.147,650 0.077,651 0.16,652 -0.04,653 0.136,654 -0.002,655 -0.105,656 -0.143,657 -0.144,658 -0.06,659 -0.158,660 -0.017,661 0.046,662 -0.053,663 -0.004,664 -0.112,665 -0.028,666 2.149,667 5.598,668 0.811,669 49.118,670 0.99,671 1.114,672 5.083,673 25.841,674 0.685,675 3.761,676 4.111,677 4.431,678 4.787,679 5.069,680 5.226,681 5.493,682 5.697,683 5.855,684 6.011,685 7.637,686 0.645,687 489.66,688 3.761,689 5.323,690 6.196,691 7.106,692 8.008,693 8.936,694 9.858,695 10.8,696 11.736,697 12.688,698 4.4,701 1,704 1,705 1,715 18,720 6,722 24,736 1,737 1,741 68,743 25,744 4,745 42,747 73,748 32,749 24,750 6,751 18,756 6,757 9,763 1,764 1,766 1,767 1,770 1,772 25,773 7,777 1,782 1,786 1,793 31,794 5,795 1,796 5,802 3,808 0.667,809 2,825 1,828 2,829 4,831 1,832 1,835 1,855 1,859 4,864 1,868 37,876 4,877 1,878 1,880 1,881 2,882 1,893 2.9,896 1,898 1,901 17.583,902 12.317,903 7.986,904 4.094,907 3.187,908 1.362,909 1.01,910 6.455,911 11.991,912 4.025,913 4.595,914 5.121,915 5.678,916 6.19,917 6.295,918 6.719,919 7.123,920 7.451,921 7.823,922 0.889,923 61,924 13.709,926 5.923,927 0.026,929 7.534,931 26.843,933 22.944,936 2.034,937 75.25,941 353.133,942 215.325,943 24.259,945 36.145,948 215.325,949 389.278,950 24.259,951 8.825,952 26.862,953 170.572,954 25.145,955 37.562,956 18.534,957 341.362,959 353.133,960 239.585,961 36.145,964 329.591,965 59.687,968 38.812,969 200.773,972 353.133,973 60.404,974 215.325,977 353.133,978 35.928,979 185.646,980 18.011,981 36.145,982 353.133,983 60.404,984 215.325,986 0.58,987 0.337,988 0.194,989 0.11,990 31,991 12,992 0.096,993 7,994 2,995 1.133,996 4.732,997 383.657,998 0.133,999 30,1000 180.75,1005 23.78,1006 10.044,1007 4.75,1009 60.404,1010 36.822,1015 6.34,1017 18.011,1018 628.863,1019 55,1024 12.598,1028 -0.482,1031 67.33,1032 75.727,1034 0.226,1035 0.512,1036 0.674,1037 0.81,1038 0.866,1039 0.892,1040 5.278,1041 1.919,1042 6.196,1043 6.705,1044 4.796,1045 5.283,1046 2.554,1047 7.083,1048 4.738,1049 6.472,1050 1.602,1051 7.794,1052 5.205,1053 4.443,1054 4.913,1055 1.905,1056 8.333,1057 4.349,1058 7.778,1059 1.444,1060 9.514,1061 4.672,1062 6.469,1063 7.377,1064 3.56,1065 11.518,1066 6.35,1067 9.12,1068 1.39,1069 11.32,1070 3.152,1071 7.022,1072 7.797,1073 3.622,1074 13.76,1075 6.876,1076 10.5,1077 1.321,1078 13.189,1079 3.028,1080 8.534,1081 9.746,1082 4.92,1083 16.586,1084 8.367,1085 11.909,1086 1.131,1087 15.107,1088 3.005,1089 9.518,1090 10.569,1091 5.296,1092 19.176,1093 9.331,1094 13.344,1095 1,1096 17.062,1097 2.986,1098 10.865,1099 12.274,1100 6.39,1101 21.928,1102 10.659,1103 3.748,1104 1,1105 19.046,1106 2.136,1107 12.046,1108 13.333,1109 6.932,1110 24.621,1111 11.821,1112 2.744,1113 15.396,1114 21.053,1115 2.136,1116 13.354,1117 14.905,1118 7.902,1119 27.358,1120 13.109,1121 2.654,1122 9.241,1123 23.078,1124 4.212,1125 14.617,1126 16.111,1127 8.54,1128 30.08,1129 14.352,1130 2.631,1131 9.027,1132 25.116,1133 3.487,1134 15.923,1135 17.611,1136 9.436,1137 32.815,1138 15.638,1139 2.493,1140 7.643,1141 27.165,1142 3.462,1143 17.219,1144 18.908,1145 10.13,1146 35.545,1147 16.914,1148 2.314,1149 7.229,1150 29.222,1151 3.45,1152 18.53,1153 20.37,1154 10.981,1155 38.279,1156 18.204,1157 2.238,1158 6.807,1159 31.284,1160 3.293,1161 19.84,1162 21.722,1163 11.71,1164 41.012,1165 19.492,1166 19820,1167 29838,1168 29.008,1169 46.586,1170 63.696,1171 64.353,1172 64.305,1173 63.12,1174 63.158,1175 81.199,1176 9.634,1177 186.051,1178 61.447,1179 5.813,1180 5.989,1181 7.818,1182 5.812,1183 5.748,1184 7.212,1185 3.889,1186 23.974,1187 5.663,1188 11.122,1189 1.517,1190 1.532,1191 1.531,1192 1.503,1193 1.504,1194 1.933,1195 0.229,1196 4.43,1197 1.463,1198 4.116,1199 4.154,1200 4.063,1201 4.021,1202 7.435,1203 4.026,1204 3.899,1205 3.934,1206 3.832,1207 3.84,1208 4.861,1209 3.832,1210 3.898,1211 3.931,1212 3.826,1213 3.827,1214 4.759,1215 3.82,1216 3.88,1217 3.909,1218 3.807,1219 3.819,1220 4.746,1221 3.815,1222 3.678,1223 3.717,1224 3.595,1225 3.551,1226 4.734,1227 3.553,1228 3.387,1229 3.415,1230 3.332,1231 3.126,1232 4.401,1233 3.161,1234 3.252,1235 3.329,1236 3.121,1237 3.077,1238 4.108,1239 3.075,1240 3.218,1241 3.29,1242 3.066,1243 3.023,1244 3.886,1245 3.042,1246 0.115,1247 0.095,1248 0.191,1249 0.112,1250 0.089,1251 4.842,1252 0.1,1253 3.989,1254 0.052,1255 8.016,1256 0.367,1257 4.724,1258 0.087,1259 3.748,1260 4.212,1261 2.186,1262 15.396,1263 3.663,1264 1.93,1265 1.904,1266 2.05,1267 2.031,1268 1.311,1269 2.037,1270 1.91,1271 1.881,1272 2.037,1273 2.002,1274 1.218,1275 2.012,1276 1.892,1277 1.865,1278 2.012,1279 1.989,1280 1.163,1281 2,1282 1.877,1283 1.848,1284 1.994,1285 1.955,1286 1.06,1287 1.97,1288 1.611,1289 1.562,1290 1.808,1291 1.769,1292 0.996,1293 1.783,1294 1.494,1295 1.421,1296 1.712,1297 1.715,1298 0.96,1299 1.723,1300 1.24,1301 1.202,1302 1.482,1303 1.539,1304 0.655,1305 1.49,1306 1.155,1307 1.103,1308 1.403,1309 1.391,1310 0.584,1311 1.405,1312 4.443,1314 5.784,1315 3.045,1316 7.326,1317 5.638,1318 8.965,1319 7.934,1320 10.664,1322 2.361,1328 3.792,1329 2.81,1330 5.731,1332 0.219,1333 5.134,1334 -0.075,1340 43.869,1341 93.613,1342 212.056,1343 278.85,1344 335.153,1345 358.438,1346 369.193,1347 52.858,1348 8.804,1349 44.81,1350 44.81,1351 34,1352 13.18,1353 4.7,1354 3.807,1355 50.766,1356 165,1357 199,1358 0.148,1359 263.684,1360 460.66,1361 635.15,1362 87480,1364 25.244,1365 0.682,1366 0.568,1367 25.244,1368 21.009,1369 18.098,1370 0.431,1371 0.306,1372 12.756,1373 17.665,1374 12.424,1375 10.291,1376 18.098,1377 12.87,1378 16.504,1379 0.275,1380 0.17,1381 16.504,1382 10.17,1383 14.081,1384 0.17,1385 0.092,1386 14.081,1387 7.677,1388 12.586,1389 0.106,1390 0.05,1391 12.586,1392 5.97,1393 10.559,1394 0.067,1395 0.028,1396 10.559,1397 4.371,1398 0.23,1399 111.504,1400 0.186,1401 33.502,1402 0.415,1403 204,1404 487.094,1405 218.025,1406 481.427,1407 677.86,1408 454,1409 245,1410 515.796,1411 259.641,1412 527.298,1413 776.82,1414 497,1415 4.386}
{0 CHEMBL76173,1 1.315,2 15.108,3 6.61,4 43.695,5 148.513,6 6.597,7 0.524,8 4.395,9 4.533,10 3.876,11 3.964,12 5.312,13 3.912,14 4.991,15 5.192,16 4.219,17 4.395,18 5.839,19 4.303,20 5.304,21 5.568,22 4.321,23 4.537,24 6.068,25 4.42,26 5.293,27 5.554,28 4.267,29 4.511,30 6.083,31 4.39,32 5.293,33 5.547,34 4.185,35 4.531,36 6.041,37 4.391,38 5.351,39 5.621,40 4.045,41 4.539,42 6.043,43 4.358,44 5.356,45 5.656,46 3.849,47 4.46,48 5.966,49 4.238,50 5.231,51 5.549,52 3.683,53 4.293,54 5.804,55 4.063,56 0.083,57 1.137,58 17.556,59 7.101,60 10.713,61 10.298,62 0.239,63 1.912,64 32.782,65 12.603,66 24.141,67 18.542,68 0.311,69 2.408,70 45.89,71 16.259,72 34.539,73 24.765,74 0.485,75 2.414,76 45.825,77 15.331,78 41.16,79 23.487,80 0.377,81 2.386,82 45.462,83 15.798,84 34.127,85 24.043,86 0.37,87 2.419,88 48.114,89 17.674,90 35.685,91 26.5,92 0.33,93 2.284,94 48.457,95 18.562,96 34.336,97 27.626,98 0.32,99 1.965,100 43.006,101 16.406,102 30.269,103 24.446,105 57,106 0.202,107 0.479,108 0.626,109 0.72,110 0.748,111 0.748,112 3.641,113 1.028,114 -5.71,115 -5.57,116 -5.19,121 41.3,123 13,127 2,144 4,145 4,146 2,147 2,148 2,151 2,176 16,179 2,180 10,185 6,187 15,192 8,197 6,200 10,206 8,209 4,211 8,214 13,219 4,224 4,227 16,232 6,237 2,239 20,244 4,251 18,256 4,260 1,264 16,269 4,277 12,281 2470,282 26.225,283 26.225,284 26.225,285 26.225,286 26.225,287 23.65,288 23.565,289 16.146,290 26.576,291 20.856,292 20.856,293 20.856,294 20.856,295 20.856,296 16.808,297 24.816,298 7.739,299 21.442,300 4.913,301 3.11,302 2.158,303 1.54,304 1.36,305 1.36,306 4.37,312 1,313 1270,314 3.742,318 529.757,322 605.348,325 2.034,326 19.477,329 0.75,330 0.5,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.77,337 77,338 559,339 4.64,340 3.361,341 6.829,342 4.202,343 3.226,344 4.564,345 0.4,346 11.348,347 3.148,348 4.64,349 3.361,350 6.829,351 4.202,352 3.226,353 4.564,354 0.4,355 11.348,356 3.147,357 3.914,358 2.669,359 5.982,360 3.513,361 2.532,362 3.437,364 8.37,365 2.483,366 3.914,367 2.668,368 5.982,369 3.513,370 2.532,371 3.437,373 8.37,374 2.483,375 3.522,376 2.358,377 5.381,378 3.127,379 2.185,380 2.893,382 6.711,383 2.057,384 3.522,385 2.354,386 5.381,387 3.119,388 2.179,389 2.893,391 6.711,392 2.046,393 2.943,394 1.922,395 4.116,396 2.864,397 1.872,398 2.142,400 3.841,401 1.855,402 2.939,403 1.771,404 4.116,405 2.574,406 1.6,407 2.142,409 3.505,410 1.556,411 2.893,412 1.622,413 4,414 2.509,415 1.526,416 1.905,418 3.329,419 1.498,420 2.674,421 1.525,422 3.954,423 2.487,424 1.502,425 1.706,427 3.329,428 1.479,429 2.601,430 1.453,431 3.808,432 2.335,433 1.347,434 1.632,436 3.308,437 1.329,438 2.537,439 1.433,440 3.644,441 2.335,442 1.347,443 1.543,445 3.121,446 1.329,447 2.489,448 1.35,449 3.594,450 2.221,451 1.247,452 1.488,454 2.902,455 1.213,456 2.482,457 1.35,458 3.594,459 2.219,460 1.247,461 1.482,463 2.902,464 1.21,465 2.252,466 1.328,467 3.561,468 2.169,469 1.213,470 1.246,472 2.687,473 1.156,474 17.9,475 0.484,476 0.548,477 0.015,478 45,479 1.216,480 21,481 0.568,482 24,483 0.649,484 39.189,485 1.059,486 39.7,487 0.529,488 29.344,489 0.793,490 7.497,491 0.203,492 10.885,493 0.294,496 0.279,501 0.928,502 1.315,503 0.905,504 1.102,505 0.731,506 1.019,507 0.892,508 1.215,509 0.985,510 1.124,511 0.759,512 1.073,513 0.966,514 1.114,515 0.832,516 0.936,517 0.8,518 0.883,519 1.279,520 0.99,521 1.03,522 0.944,523 1.129,524 0.961,525 1.394,526 1.043,527 1.166,528 1.045,529 1.286,530 1.079,531 1.175,532 1.019,533 1.213,534 1.127,535 1.243,536 1.166,537 0.812,538 0.952,539 1.069,540 1.08,541 0.959,542 1.094,543 0.688,544 0.836,545 0.946,546 0.96,547 0.792,548 0.973,549 3.5,550 0.091,551 3.333,552 2.25,553 2.16,554 0.708,555 0.478,556 0.229,557 0.172,558 0.134,559 27582,560 53452,561 2.232,562 50.7,563 18,564 8,566 2,567 2,568 4,569 4,572 1.772,573 2.198,574 3.748,575 0.082,582 98.65,583 1.315,584 3.119,585 4.071,586 4.689,587 4.869,588 4.869,589 2.96,590 3.588,591 5.193,592 4.043,593 2692.8,594 9.079,595 49169.3,600 467.161,601 0.842,602 5.183,603 0.083,604 0.003,605 0.058,606 0.036,607 0.038,608 0.014,609 0.011,610 0.007,611 0.006,612 0.005,613 0.262,614 0.17,615 0.63,617 209.714,618 0.015,619 -0.099,620 0.073,621 0.003,622 0.168,623 0.037,624 0.104,625 -0.099,626 -0.001,627 -0.077,628 0.187,629 -0.053,630 0.078,631 -0.105,632 0.161,633 0.051,634 0.183,635 0.103,636 0.035,637 0.066,638 -0.015,639 0.012,640 0.013,641 -0.003,642 -0.221,643 0.005,644 -0.166,645 -0.066,646 -0.238,647 -0.104,648 -0.209,649 -0.027,650 -0.232,651 -0.136,652 -0.271,653 -0.177,654 -0.067,655 -0.045,656 -0.104,657 -0.085,658 -0.133,659 -0.096,660 0.04,661 0.038,662 0.02,663 0.024,664 -0.015,665 0.021,666 0.78,667 1.861,668 0.757,669 37.803,670 0.983,671 1.128,672 4.475,673 20.028,674 0.656,675 3.761,676 4.06,677 4.394,678 4.718,679 5.017,680 5.088,681 5.22,682 5.318,683 5.371,684 5.204,685 9.59,686 0.607,687 494.75,688 3.761,689 5.293,690 6.159,691 7.041,692 7.929,693 8.824,694 9.721,695 10.622,696 11.523,697 12.426,698 8,703 2,708 4,714 4,715 6,716 4,720 6,722 22,734 2,741 75,743 22,745 42,747 80,748 31,749 16,756 6,757 12,767 8,770 13,772 16,773 15,793 38,794 6,795 2,796 6,802 6,808 0.333,822 4,829 6,833 4,859 2,868 37,876 15,877 2,901 16.833,902 13.3,903 8.222,904 5.419,907 4.653,908 1.522,909 1.027,910 7.671,911 13.56,912 3.989,913 4.595,914 5.257,915 5.909,916 6.536,917 6.87,918 7.251,919 7.594,920 7.889,921 7.693,922 1,923 62,924 13.766,926 5.861,927 0.026,929 7.342,931 27.81,933 23.938,936 1.842,937 68.167,941 423.76,942 119.135,943 103.164,948 119.135,949 423.76,950 103.164,952 37.16,953 37.905,954 126.706,955 44.07,957 400.217,959 423.76,960 222.298,964 380.106,965 47.084,968 60.769,969 54.936,970 103.164,972 423.76,973 103.164,974 119.135,977 423.76,978 63.135,979 56,980 36.022,981 67.142,982 423.76,983 103.164,984 119.135,986 0.564,987 0.339,988 0.204,989 0.12,990 28,991 10,992 0.125,993 10,994 4,995 1.286,996 5.011,997 355.706,998 0.286,999 28,1000 156.75,1005 24.404,1006 11.63,1007 5.373,1008 4.125,1009 103.164,1010 12.092,1011 18.791,1015 7.953,1017 36.022,1018 646.058,1019 53,1031 73.748,1032 84.633,1034 0.211,1035 0.501,1036 0.654,1037 0.753,1038 0.782,1039 0.782,1040 5.218,1041 1.6,1042 6.107,1043 3.841,1044 4.745,1045 5.283,1046 0.495,1047 6.929,1048 4.689,1049 6.396,1050 1.526,1051 7.656,1052 3.505,1053 4.111,1054 5.094,1056 7.861,1057 4.031,1058 7.701,1059 1.502,1060 9.319,1061 3.329,1062 6.319,1063 7.557,1064 0.097,1065 11.048,1066 6.211,1067 9.053,1068 1.347,1069 11.055,1070 3.329,1071 6.635,1072 8.307,1074 12.888,1075 6.504,1076 10.45,1077 1.347,1078 12.841,1079 3.308,1080 8.219,1081 10.198,1082 0.016,1083 15.568,1084 8.063,1085 11.877,1086 1.247,1087 14.659,1088 3.121,1089 8.999,1090 11.369,1092 17.754,1093 8.821,1094 13.328,1095 1.247,1096 16.499,1097 2.902,1098 10.324,1099 13.036,1100 0.003,1101 20.269,1102 10.122,1103 3.226,1104 1.213,1105 18.356,1106 2.902,1107 11.322,1108 14.397,1110 22.595,1111 11.097,1112 3.226,1113 11.348,1114 20.224,1115 2.687,1116 12.544,1117 15.974,1119 25.054,1120 12.296,1121 2.532,1122 11.348,1123 22.101,1124 4.564,1125 13.639,1126 17.421,1128 27.437,1129 13.367,1130 2.532,1131 8.37,1132 23.984,1133 4.564,1134 14.824,1135 18.961,1137 29.877,1138 14.528,1139 2.185,1140 8.37,1141 25.874,1142 3.437,1143 15.961,1144 20.447,1146 32.285,1147 15.64,1148 2.179,1149 6.711,1150 27.768,1151 3.437,1152 17.134,1153 21.973,1155 34.717,1156 16.789,1157 1.872,1158 6.711,1159 29.665,1160 2.893,1161 18.289,1162 23.476,1164 37.137,1165 17.919,1166 24686,1167 34558,1168 29.701,1169 49.217,1170 61.574,1171 62.155,1172 62.86,1173 61.762,1174 61.762,1175 78.817,1176 1.6,1177 173.302,1178 60.023,1179 5.604,1180 5.361,1181 6.737,1182 5.251,1183 5.226,1184 7.564,1185 0.8,1186 18.879,1187 5.148,1189 1.466,1190 1.48,1191 1.497,1192 1.471,1193 1.471,1194 1.877,1195 0.038,1196 4.126,1197 1.429,1198 4.123,1199 4.16,1200 4.084,1201 4.027,1202 5.073,1203 4.036,1204 4.076,1205 4.111,1206 4.043,1207 3.983,1208 5.042,1209 3.993,1210 3.765,1211 3.832,1212 3.616,1213 3.638,1214 4.474,1215 3.621,1216 3.719,1217 3.772,1218 3.606,1219 3.616,1220 4.466,1221 3.606,1222 3.717,1223 3.77,1224 3.594,1225 3.615,1226 4.284,1227 3.606,1228 3.56,1229 3.641,1230 3.4,1231 3.387,1232 4.232,1233 3.378,1234 3.341,1235 3.422,1236 3.205,1237 3.174,1238 4.048,1239 3.171,1240 3.232,1241 3.294,1242 3.098,1243 3.109,1244 3.979,1245 3.099,1246 0.11,1247 0.08,1248 0.163,1249 0.1,1250 0.077,1251 4.64,1252 0.109,1253 3.361,1254 0.01,1255 6.829,1256 0.27,1257 4.202,1258 0.075,1259 3.226,1260 4.564,1261 0.4,1262 11.348,1263 3.148,1264 2.045,1265 2.014,1266 2.137,1267 2.158,1268 1.432,1269 2.152,1270 2.044,1271 2.014,1272 2.134,1273 2.157,1274 1.427,1275 2.15,1276 1.777,1277 1.714,1278 2.026,1279 1.942,1280 1.383,1281 1.974,1282 1.726,1283 1.677,1284 1.914,1285 1.864,1286 1.164,1287 1.887,1288 1.725,1289 1.677,1290 1.908,1291 1.863,1292 1.075,1293 1.884,1294 1.558,1295 1.483,1296 1.823,1297 1.768,1298 1.048,1299 1.79,1300 1.319,1301 1.25,1302 1.577,1303 1.548,1304 0.805,1305 1.563,1306 1.236,1307 1.18,1308 1.464,1309 1.401,1310 0.749,1311 1.422,1312 4.443,1314 5.746,1316 7.273,1318 8.916,1320 10.624,1328 17.644,1329 7.562,1340 45.557,1341 98.65,1342 233.916,1343 305.348,1344 351.652,1345 365.161,1346 365.161,1347 50.889,1348 8.908,1349 75.62,1350 75.62,1351 36,1352 12.947,1353 4.524,1354 3.585,1355 51.629,1356 226,1357 133,1358 0.109,1359 275.264,1360 466.7,1361 663.405,1362 141712,1364 24.865,1365 0.672,1366 0.591,1367 24.865,1368 21.86,1369 18.382,1370 0.438,1371 0.343,1372 14.288,1373 17.989,1374 14.041,1375 11.615,1376 18.382,1377 14.39,1378 15.685,1379 0.275,1380 0.186,1381 15.685,1382 10.609,1383 13.857,1384 0.173,1385 0.1,1386 13.857,1387 8.032,1388 12.284,1389 0.111,1390 0.055,1391 12.284,1392 6.118,1393 10.782,1394 0.072,1395 0.031,1396 10.782,1397 4.671,1398 0.181,1399 112.926,1400 0.183,1401 34.633,1402 0.273,1403 198,1404 425.246,1405 209.101,1406 425.378,1407 615.6,1408 406,1409 236,1410 479.944,1411 248.323,1412 487.843,1413 725.82,1414 466,1415 8.886}
{0 CHEMBL76241,1 1.455,2 10.308,3 3.934,4 15.476,5 103.009,6 6.892,7 0.414,8 4.025,9 4.151,10 3.539,11 3.548,12 5.041,13 3.518,14 4.603,15 4.795,16 3.945,17 3.986,18 5.591,19 3.937,20 4.859,21 5.051,22 4.026,23 4.188,24 5.757,25 4.102,26 5.057,27 5.307,28 3.943,29 4.232,30 5.892,31 4.111,32 5.002,33 5.241,34 3.874,35 4.206,36 5.844,37 4.059,38 5.038,39 5.325,40 3.785,41 4.124,42 5.801,43 3.969,44 4.811,45 5.055,46 3.711,47 3.991,48 5.708,49 3.857,50 4.731,51 4.987,52 3.503,53 3.826,54 5.702,55 3.684,56 0.032,57 0.747,58 11.558,59 4.727,60 8.62,61 6.551,62 0.407,63 1.25,64 22.239,65 7.796,66 33.984,67 11.242,68 0.174,69 1.557,70 28.394,71 10.898,72 27.28,73 15.38,74 0.406,75 1.772,76 36.471,77 12.215,78 45.394,79 17.914,80 0.259,81 1.669,82 33.667,83 12.902,84 36.896,85 18.546,86 0.406,87 1.592,88 36.565,89 13.058,90 44.8,91 18.966,92 0.296,93 1.344,94 28.247,95 10.58,96 34.173,97 15.018,98 0.386,99 1.2,100 26.772,101 9.03,102 48.925,103 12.946,104 20,105 43,106 0.245,107 0.573,108 0.768,109 0.854,110 0.863,111 0.863,112 3.305,113 0.939,114 -4.26,115 -4.2,116 -3.97,121 41.2,122 1,123 1,125 1,126 2,127 2,130 1,144 8,145 2,146 2,161 1,176 11,179 2,180 8,183 2,187 12,192 10,200 8,206 8,211 2,214 5,218 1,219 8,224 2,227 8,231 1,232 3,237 1,239 10,243 1,244 3,247 1,249 2,251 11,255 1,256 1,259 1,264 8,269 2,277 4,281 948,282 17.557,283 17.557,284 17.557,285 17.557,286 17.557,287 15.99,288 25.345,289 10.127,290 17.937,291 14.237,292 14.237,293 14.237,294 14.237,295 14.237,296 11.814,297 34.993,298 4.744,299 14.806,300 4.217,301 2.275,302 1.118,303 0.608,304 0.554,305 0.554,306 3.998,310 1,311 1,312 1,313 580,314 3.536,317 89.987,318 131.208,320 73.262,321 82.702,324 113.647,325 1.893,326 17.115,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 55.5,338 268,339 4.835,340 3.979,341 8.009,342 4.718,343 3.741,344 4.207,345 2.186,346 15.336,347 3.659,348 4.01,349 3.658,350 6.269,351 3.681,352 2.725,353 3.465,354 1.013,355 9.026,356 2.611,357 3.896,358 2.985,359 6.176,360 3.546,361 2.577,362 3.308,363 0.763,364 8.687,365 2.501,366 3.671,367 2.747,368 5.491,369 3.393,370 2.454,371 2.88,372 0.366,373 7.348,374 2.286,375 3.472,376 2.649,377 5.377,378 3.244,379 2.287,380 2.594,381 0.191,382 6.852,383 2.165,384 3.313,385 2.414,386 4.891,387 2.953,388 1.989,389 2.461,391 5.34,392 1.901,393 2.91,394 1.784,395 4.705,396 2.532,397 1.561,398 2.061,400 4.622,401 1.514,402 2.6,403 1.485,404 4.22,405 2.331,406 1.357,407 1.617,409 3.064,410 1.316,411 2.518,412 1.169,413 3.723,414 2.126,415 1.132,416 1.523,418 3.01,419 1.125,420 2.5,421 1.106,422 3.595,423 2,424 1,425 1.5,427 2.136,428 1,429 1.8,430 1,431 3.247,432 1.706,433 0.742,434 0.776,436 1.848,437 0.713,438 1.509,439 0.916,440 3.125,441 1.307,442 0.393,443 0.418,445 0.611,446 0.355,447 1.265,448 0.659,449 2.948,450 0.993,451 0.03,452 0.033,454 0.077,455 0.028,456 1.126,457 0.284,458 2.812,459 0.793,460 -0.174,461 -0.216,463 -0.395,464 -0.166,465 0.709,466 -0.167,467 2.505,468 0.431,469 -0.541,470 -0.597,472 -1.37,473 -0.525,474 12.367,475 0.476,476 0.733,477 0.028,478 31.75,479 1.221,480 14.5,481 0.558,482 17.25,483 0.663,484 23.648,485 0.91,486 28.433,487 0.558,488 23.221,489 0.893,490 6.23,491 0.24,492 6.295,493 0.242,494 0.148,495 0.04,496 0.307,501 0.812,502 1.438,503 0.842,504 1.17,505 0.62,506 1.03,507 0.756,508 0.859,509 0.851,510 0.792,511 0.434,512 0.809,513 0.952,514 1.345,515 1.046,516 1.228,517 0.679,518 1.164,519 1.185,520 0.955,521 1.115,522 0.945,523 0.892,524 0.999,525 0.707,526 1.198,527 1.075,528 1.245,529 0.763,530 1.215,531 0.868,532 0.8,533 0.836,534 0.828,535 0.687,536 0.834,537 0.874,538 1.056,539 0.997,540 1.098,541 0.879,542 1.078,543 1.276,544 0.919,545 1.136,546 0.986,547 1.797,548 1.039,549 6,550 0.058,551 3.556,552 3.208,553 1.557,554 1.004,555 0.836,556 0.476,557 0.262,558 0.085,559 7506,560 17738,561 2.092,562 49,563 3,564 18,565 1,567 1,569 2,572 1.693,573 1.938,574 3.296,575 -0.37,577 1,582 74.204,583 1.455,584 3.398,585 4.554,586 5.064,587 5.118,588 5.118,589 2.83,590 4.287,591 4.662,592 3.451,593 1121.48,594 8.099,595 13420.4,597 1,599 1,600 289.294,601 1.619,602 4.616,603 0.207,604 0.006,605 0.083,606 0.071,607 0.039,608 0.028,609 0.025,610 0.015,611 0.011,612 0.006,613 0.491,614 0.33,615 1,616 1.139,617 125.361,618 -0.003,619 -0.221,620 0.075,621 -0.08,622 -0.035,623 -0.007,624 0.254,625 0.304,626 0.12,627 0.204,628 0.214,629 0.16,630 -0.062,631 -0.266,632 -0.101,633 -0.191,634 0.005,635 -0.16,636 -0.177,637 0.07,638 -0.13,639 0.012,640 -0.055,641 -0.038,642 0.031,643 -0.207,644 -0.132,645 -0.23,646 -0.032,647 -0.207,648 0.036,649 0.095,650 0.148,651 0.146,652 0.005,653 0.158,654 0.055,655 -0.093,656 -0.029,657 -0.095,658 0.004,659 -0.081,660 -0.072,661 0.039,662 -0.129,663 -0.033,664 -0.151,665 -0.083,666 2.102,667 4.557,668 0.692,669 25.722,670 0.994,671 1.127,672 3.034,673 9.203,674 0.653,675 3.401,676 3.784,677 4.127,678 4.477,679 4.727,680 4.868,681 5.106,682 5.252,683 5.318,684 5.38,685 5.898,686 0.614,687 351.49,688 3.401,689 4.977,690 5.866,691 6.795,692 7.714,693 8.657,694 9.594,695 10.547,696 11.494,697 12.453,698 5.9,701 1,704 1,705 1,715 8,720 4,722 12,736 1,737 1,741 51,743 13,744 2,745 29,747 54,748 21,749 12,750 4,751 8,756 4,757 7,763 1,764 1,766 1,767 1,770 1,772 13,773 8,777 1,782 1,786 1,790 1,793 25,794 5,795 1,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 3,868 26,876 3,877 1,878 1,880 1,881 2,882 1,893 3.9,896 1,898 1,901 13.417,902 9.983,903 5.653,904 3.035,907 2.21,908 1.285,909 0.967,910 4.412,911 9.965,912 3.611,913 4.174,914 4.7,915 5.242,916 5.742,917 5.917,918 6.307,919 6.624,920 6.817,921 7.033,922 1,923 45,924 9.626,926 4.113,927 0.026,929 7.593,931 18.82,933 16.001,936 2.093,937 54.417,939 1,940 1,941 282.506,942 129.308,943 24.259,945 36.145,948 129.308,949 318.651,950 24.259,951 25.618,952 24.757,953 75.81,954 25.145,955 31.62,956 18.534,957 270.735,959 282.506,960 153.567,961 36.145,964 258.964,965 59.687,968 36.706,969 116.861,972 282.506,973 60.404,974 129.308,977 282.506,978 27.88,979 107.677,980 18.011,981 36.145,982 282.506,983 60.404,984 129.308,986 0.59,987 0.356,988 0.195,989 0.108,990 23,991 10,992 0.074,993 4,994 2,995 1.222,996 3.701,997 232.983,998 0.222,999 18,1000 118.211,1005 17.379,1006 6.6,1007 2.908,1009 60.404,1010 16.602,1015 4.422,1017 18.011,1018 472.218,1019 36,1024 11.557,1028 -0.435,1031 50.68,1032 57.481,1034 0.256,1035 0.599,1036 0.803,1037 0.893,1038 0.902,1039 0.902,1040 4.898,1041 1.357,1042 5.905,1043 4.622,1044 4.466,1045 4.86,1046 2.511,1047 6.847,1048 4.391,1049 6.108,1050 1.132,1051 7.549,1052 3.064,1053 4.29,1054 4.691,1055 1.905,1056 8.227,1057 4.19,1058 7.441,1059 1,1060 9.315,1061 3.01,1062 6.213,1063 6.963,1064 3.546,1065 11.405,1066 6.076,1067 8.811,1068 0.742,1069 11.16,1070 2.136,1071 6.899,1072 7.57,1073 3.617,1074 13.7,1075 6.748,1076 10.219,1077 0.393,1078 13.062,1079 1.848,1080 8.362,1081 9.375,1082 4.916,1083 16.53,1084 8.187,1085 11.657,1086 0.03,1087 15.006,1088 0.611,1089 9.426,1090 10.353,1091 5.294,1092 19.133,1093 9.239,1094 13.118,1095 -0.174,1096 16.982,1097 0.077,1098 10.761,1099 11.966,1100 6.389,1101 21.886,1102 10.555,1103 3.741,1104 -0.541,1105 18.983,1106 -0.395,1107 11.98,1108 13.144,1109 6.931,1110 24.58,1111 11.76,1112 2.725,1113 15.336,1114 21.002,1115 -1.37,1116 13.289,1117 14.663,1118 7.902,1119 27.316,1120 13.05,1121 2.577,1122 9.026,1123 23.037,1124 4.207,1125 14.568,1126 15.953,1127 8.539,1128 30.035,1129 14.312,1130 2.454,1131 8.687,1132 25.082,1133 3.465,1134 15.877,1135 17.427,1136 9.436,1137 32.767,1138 15.602,1139 2.287,1140 7.348,1141 27.135,1142 3.308,1143 17.18,1144 18.78,1145 10.13,1146 35.494,1147 16.885,1148 1.989,1149 6.852,1150 29.196,1151 2.88,1152 18.492,1153 20.232,1154 10.981,1155 38.224,1156 18.177,1157 1.561,1158 5.34,1159 31.26,1160 2.594,1161 19.804,1162 21.621,1163 11.71,1164 40.954,1165 19.468,1166 7249,1167 11238,1168 19.186,1169 33.302,1170 44.322,1171 45.319,1172 46.483,1173 43.956,1174 43.976,1175 53.686,1176 9.039,1177 135.911,1178 42.346,1179 5.801,1180 5.979,1181 7.811,1182 5.784,1183 5.741,1184 7.207,1185 3.889,1186 23.877,1187 5.659,1188 12.789,1189 1.528,1190 1.563,1191 1.603,1192 1.516,1193 1.516,1194 1.851,1195 0.312,1196 4.687,1197 1.46,1198 4.1,1199 4.139,1200 4.046,1201 4.004,1202 7.435,1203 4.009,1204 3.896,1205 3.927,1206 3.825,1207 3.838,1208 4.84,1209 3.831,1210 3.693,1211 3.731,1212 3.615,1213 3.553,1214 4.746,1215 3.556,1216 3.512,1217 3.578,1218 3.416,1219 3.209,1220 4.433,1221 3.253,1222 3.291,1223 3.388,1224 3.117,1225 3.071,1226 4.205,1227 3.063,1228 3.232,1229 3.313,1230 3.07,1231 3.057,1232 4.032,1233 3.056,1234 3.012,1235 3.105,1236 2.789,1237 2.849,1238 3.873,1239 2.822,1240 2.969,1241 3.014,1242 2.77,1243 2.735,1244 3.809,1245 2.715,1246 0.167,1247 0.137,1248 0.276,1249 0.163,1250 0.129,1251 4.835,1252 0.145,1253 3.979,1254 0.075,1255 8.009,1256 0.529,1257 4.718,1258 0.126,1259 3.741,1260 4.207,1261 2.186,1262 15.336,1263 3.659,1264 1.913,1265 1.885,1266 2.043,1267 2.011,1268 1.31,1269 2.022,1270 1.902,1271 1.881,1272 2.003,1273 1.988,1274 1.199,1275 1.992,1276 1.628,1277 1.575,1278 1.83,1279 1.806,1280 1.033,1281 1.817,1282 1.502,1283 1.429,1284 1.729,1285 1.757,1286 0.967,1287 1.745,1288 1.399,1289 1.326,1290 1.688,1291 1.693,1292 0.683,1293 1.7,1294 1.218,1295 1.127,1296 1.564,1297 1.475,1298 0.644,1299 1.509,1300 1.05,1301 0.97,1302 1.405,1303 1.27,1304 0.584,1305 1.323,1306 0.886,1307 0.833,1308 1.181,1309 1.209,1310 0.365,1311 1.176,1312 4.078,1314 5.442,1315 3.045,1316 7.011,1317 5.638,1318 8.679,1319 7.928,1320 10.41,1322 6.061,1328 3.09,1329 2.5,1330 5.358,1332 0.313,1333 4.92,1334 0.029,1340 31.289,1341 74.204,1342 173.294,1343 232.274,1344 258.274,1345 261.029,1346 261.029,1347 36.941,1348 7.755,1349 44.81,1350 44.81,1351 22,1352 12.939,1353 3.807,1354 3,1355 37.961,1356 91,1357 102,1358 0.213,1359 190.52,1360 332.72,1361 456.628,1362 23155,1364 18.311,1365 0.704,1366 0.597,1367 18.311,1368 15.528,1369 12.525,1370 0.432,1371 0.313,1372 8.949,1373 12.062,1374 8.621,1375 7.177,1376 12.525,1377 9.077,1378 11.628,1379 0.27,1380 0.173,1381 11.628,1382 7.427,1383 10.218,1384 0.168,1385 0.095,1386 10.218,1387 5.807,1388 8.844,1389 0.102,1390 0.053,1391 8.844,1392 4.593,1393 7.225,1394 0.065,1395 0.029,1396 7.225,1397 3.261,1398 0.326,1399 78.299,1400 0.228,1401 24.764,1402 0.61,1403 144,1404 363.094,1405 157.025,1406 351.032,1407 489.14,1408 330,1409 176,1410 369.599,1411 189.475,1412 376.194,1413 556.51,1414 352,1415 6.481}
{0 CHEMBL76384,1 1.379,2 14,3 5.483,4 30.062,5 118.896,6 6.576,7 0.375,8 4.158,9 4.29,10 3.621,11 3.727,12 5.106,13 3.67,14 4.761,15 4.957,16 3.957,17 4.155,18 5.656,19 4.062,20 5.12,21 5.365,22 4.05,23 4.354,24 5.986,25 4.221,26 5.193,27 5.471,28 3.841,29 4.304,30 5.978,31 4.122,32 5.074,33 5.368,34 3.769,35 4.177,36 5.828,37 3.999,38 4.92,39 5.181,40 3.696,41 4.067,42 5.804,43 3.911,44 4.842,45 5.092,46 3.639,47 3.991,48 5.753,49 3.841,50 4.807,51 5.078,52 3.507,53 3.909,54 5.664,55 3.743,56 0.047,57 0.904,58 13.918,59 6.163,60 5.757,61 8.457,62 0.153,63 1.532,64 26.271,65 10.523,66 18.422,67 14.849,68 0.291,69 2.017,70 38.494,71 14.83,72 45.111,73 20.976,74 0.357,75 1.984,76 41.742,77 15.627,78 50.992,79 22.471,80 0.322,81 1.688,82 36.865,83 14.055,84 40.137,85 20.405,86 0.367,87 1.533,88 31.981,89 12.021,90 45.766,91 16.885,92 0.324,93 1.4,94 29.499,95 11.195,96 44.053,97 15.528,98 0.286,99 1.443,100 28.8,101 10.804,102 43.413,103 14.879,104 5,105 43,106 0.225,107 0.519,108 0.721,109 0.842,110 0.85,111 0.85,112 3.407,113 1.035,114 -5.86,115 -5.72,116 -5.33,121 41.7,123 7,124 1,127 4,144 7,145 3,146 2,159 1,176 15,180 5,185 3,187 16,192 6,197 4,200 13,206 5,211 1,214 11,219 4,222 1,224 1,227 14,232 1,237 1,239 14,243 1,244 3,249 1,251 11,256 2,261 2,264 9,269 2,277 7,281 1384,282 19.878,283 19.878,284 19.878,285 19.878,286 19.878,287 18.286,288 25.207,289 11.937,290 20.08,291 15.814,292 15.814,293 15.814,294 15.814,295 15.814,296 13.349,297 28.225,298 5.742,299 16.147,300 4.528,301 2.728,302 1.486,303 0.746,304 0.7,305 0.7,306 4.11,311 1,312 1,313 889,314 3.082,318 283.961,319 103.336,323 156.202,325 2.276,326 24.778,329 0.75,330 0.83,331 1,332 1,333 1,334 1,335 1,336 0.94,337 61.5,338 406,339 4.331,340 3.606,341 6.248,342 3.97,343 2.972,344 3.973,345 1.277,346 9.413,347 2.971,348 4.032,349 3.049,350 5.898,351 3.712,352 2.746,353 3.62,354 0.916,355 8.153,356 2.666,357 3.895,358 3.034,359 5.628,360 3.613,361 2.607,362 3.236,363 0.4,364 7.816,365 2.609,366 3.651,367 2.861,368 5.356,369 3.495,370 2.509,371 2.787,372 0.172,373 7.004,374 2.474,375 3.415,376 2.488,377 5.079,378 3.172,379 2.224,380 2.558,382 6.221,383 2.087,384 3.074,385 2.171,386 4.784,387 2.848,388 1.898,389 2.124,391 5.383,392 1.789,393 2.948,394 1.996,395 4.469,396 2.649,397 1.685,398 2.083,400 4.508,401 1.643,402 2.866,403 1.928,404 4.168,405 2.645,406 1.644,407 1.899,409 3.799,410 1.622,411 2.609,412 1.584,413 3.716,414 2.399,415 1.386,416 1.61,418 3.251,419 1.399,420 2.5,421 1.102,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.072,430 1.077,431 3.414,432 1.984,433 1,434 1.014,436 2.275,437 0.983,438 2,439 1,440 3.273,441 1.853,442 0.869,443 1,445 1.963,446 0.853,447 1.765,448 0.95,449 3.127,450 1.596,451 0.579,452 0.646,454 1.349,455 0.584,456 1.395,457 0.723,458 2.859,459 1.162,460 0.201,461 0.227,463 0.478,464 0.19,465 1.079,466 0.214,467 2.456,468 0.843,469 -0.138,470 -0.154,472 -0.323,473 -0.135,474 13.919,475 0.48,476 0.588,477 0.02,478 31.75,479 1.095,480 14,481 0.483,482 17.75,483 0.612,484 28.757,485 0.992,486 32.281,487 0.538,488 21.241,489 0.732,490 5.692,491 0.196,492 8.478,493 0.292,494 0.044,496 0.28,499 1,501 0.599,502 1.15,503 0.886,504 1.118,505 0.488,506 1.052,507 0.736,508 1.085,509 1.003,510 1.106,511 0.503,512 1.083,513 0.879,514 1.033,515 1.016,516 1.066,517 0.774,518 1.058,519 0.847,520 0.927,521 1.052,522 1.05,523 0.821,524 1.072,525 0.536,526 0.754,527 0.813,528 0.893,529 0.583,530 0.891,531 1.029,532 0.854,533 1.051,534 1.011,535 1.232,536 1.034,537 1.095,538 0.948,539 1.071,540 1.056,541 1.38,542 1.071,543 1.295,544 1.117,545 1.102,546 1.052,547 1.401,548 1.057,549 5.5,550 0.114,551 2.889,552 1.063,553 1.388,554 0.746,555 0.45,556 0.339,557 0.187,558 0.149,559 13169,560 28884,561 2.132,562 51.7,563 7,564 15,567 1,568 2,569 6,572 1.711,573 2.047,574 3.758,575 -0.439,582 82.737,583 1.379,584 3.178,585 4.421,586 5.161,587 5.207,588 5.207,589 3.254,590 4.513,591 4.83,592 3.941,593 1599.91,594 8.363,595 23248.9,600 354.413,601 1.178,602 4.812,603 0.172,604 0.005,605 0.067,606 0.024,607 0.041,608 0.023,609 0.015,610 0.012,611 0.008,612 0.007,613 0.373,614 0.5,615 0.88,616 0.434,617 151.865,618 -0.003,619 -0.045,620 0.051,621 0.013,622 0.012,623 0.034,624 -0.038,625 -0.054,626 -0.05,627 -0.061,628 0.047,629 -0.055,630 -0.043,631 -0.064,632 -0.05,633 -0.065,634 0.016,635 -0.059,636 -0.055,637 -0.059,638 -0.095,639 -0.086,640 -0.039,641 -0.093,642 0.084,643 0.025,644 0.124,645 0.064,646 0.035,647 0.093,648 -0.009,649 0.048,650 -0.069,651 -0.032,652 -0.094,653 -0.054,654 -0.026,655 -0.086,656 -0.087,657 -0.073,658 -0.112,659 -0.09,660 -0.097,661 -0.077,662 -0.097,663 -0.068,664 -0.126,665 -0.082,666 1.845,667 5.723,668 0.793,669 33.144,670 0.988,671 1.13,672 4.634,673 21.475,674 0.647,675 3.497,676 3.784,677 4.007,678 4.205,679 4.466,680 4.489,681 4.522,682 4.595,683 4.663,684 4.762,685 8.127,686 0.601,687 394.58,688 3.497,689 5.017,690 5.844,691 6.691,692 7.531,693 8.38,694 9.226,695 10.075,696 10.924,697 11.774,698 3.3,701 1,703 1,715 7,720 5,722 12,727 1,734 1,740 1,741 60,743 13,744 2,745 32,747 63,748 25,749 12,750 5,751 7,752 1,756 4,757 5,767 5,768 1,770 7,772 13,773 12,774 1,777 1,782 1,786 1,791 1,793 31,794 4,795 1,796 4,802 2,808 0.75,809 1,829 3,830 1,834 1,855 1,859 3,866 1,868 29,876 11,877 1,880 1,881 1,892 1,893 1.7,896 1,901 14.167,902 10.426,903 6.389,904 4.065,907 2.042,908 1.266,909 0.988,910 6.74,911 9.721,912 3.689,913 4.19,914 4.659,915 5.104,916 5.612,917 5.666,918 5.796,919 5.853,920 5.971,921 6.144,922 1,923 45,924 10.848,926 4.635,927 0.026,929 7.615,931 21.516,933 18.405,936 2.115,937 61.333,941 353.133,942 119.066,943 21.135,945 25.145,946 14.96,948 119.066,949 378.278,950 36.095,952 26.165,953 66.334,954 48.289,955 24.559,956 14.96,957 353.133,959 353.133,960 140.201,961 40.105,964 297.467,965 95.772,968 29.289,969 92.902,970 18.011,972 368.093,973 46.28,974 119.066,977 353.133,978 52.733,979 69.458,980 18.011,981 40.105,982 353.133,983 61.24,984 119.066,986 0.575,987 0.326,988 0.167,989 0.098,990 20,991 8,992 0.095,993 6,994 1,995 1.087,996 4.284,997 241.402,998 0.087,999 23,1000 132.881,1005 20.255,1006 9.649,1007 5.526,1009 61.24,1010 13.019,1015 4.334,1017 18.011,1018 533.439,1019 39,1024 12.723,1028 0.271,1031 59.298,1032 67.774,1034 0.233,1035 0.538,1036 0.748,1037 0.874,1038 0.881,1039 0.881,1040 4.92,1041 1.644,1042 5.796,1043 4.508,1044 4.466,1045 4.875,1046 1.806,1047 6.526,1048 4.429,1049 6.067,1050 1.386,1051 7.303,1052 3.799,1053 3.892,1054 4.527,1055 0.325,1056 7.235,1057 3.832,1058 7.335,1059 1,1060 8.903,1061 3.251,1062 5.989,1063 6.912,1064 1.993,1065 10.274,1066 5.924,1067 8.631,1068 1,1069 10.558,1070 2.275,1071 6.217,1072 7.378,1073 0.393,1074 11.796,1075 6.143,1076 9.959,1077 0.869,1078 12.248,1079 2.275,1080 7.749,1081 9.248,1082 2.342,1083 14.319,1084 7.667,1085 11.308,1086 0.579,1087 13.962,1088 1.963,1089 8.369,1090 10.102,1091 0.384,1092 16.198,1093 8.288,1094 12.674,1095 0.201,1096 15.694,1097 1.349,1098 9.646,1099 11.743,1100 2.756,1101 18.528,1102 9.556,1103 2.972,1104 -0.138,1105 17.439,1106 0.478,1107 10.473,1108 12.805,1109 0.351,1110 20.578,1111 10.386,1112 2.746,1113 9.413,1114 19.194,1115 -0.323,1116 11.628,1117 14.327,1118 3.203,1119 22.833,1120 11.535,1121 2.607,1122 8.153,1123 20.957,1124 3.973,1125 12.564,1126 15.509,1127 0.312,1128 24.969,1129 12.474,1130 2.509,1131 7.816,1132 22.728,1133 3.62,1134 13.664,1135 16.964,1136 3.667,1137 27.198,1138 13.569,1139 2.224,1140 7.004,1141 24.505,1142 3.236,1143 14.658,1144 18.217,1145 0.273,1146 29.377,1147 14.566,1148 1.898,1149 6.221,1150 26.287,1151 2.787,1152 15.733,1153 19.634,1154 4.143,1155 31.6,1156 15.64,1157 1.685,1158 5.383,1159 28.073,1160 2.558,1161 16.76,1162 20.932,1163 0.236,1164 33.802,1165 16.669,1166 12278,1167 18313,1168 21.959,1169 38.824,1170 46.98,1171 48.18,1172 47.616,1173 46.72,1174 46.639,1175 56.551,1176 5.533,1177 127.775,1178 45.739,1179 5.331,1180 5.606,1181 6.004,1182 5.005,1183 4.972,1184 6.973,1185 2.555,1186 15.785,1187 4.971,1188 10.278,1189 1.468,1190 1.506,1191 1.488,1192 1.46,1193 1.457,1194 1.767,1195 0.173,1196 3.993,1197 1.429,1198 4.024,1199 4.061,1200 3.956,1201 3.943,1202 8.201,1203 3.942,1204 3.944,1205 3.985,1206 3.878,1207 3.86,1208 7.427,1209 3.859,1210 3.831,1211 3.877,1212 3.72,1213 3.724,1214 4.725,1215 3.714,1216 3.643,1217 3.695,1218 3.524,1219 3.509,1220 4.645,1221 3.502,1222 3.454,1223 3.519,1224 3.311,1225 3.3,1226 4.303,1227 3.294,1228 3.237,1229 3.314,1230 3.115,1231 3.066,1232 4.152,1233 3.067,1234 3.186,1235 3.26,1236 3.024,1237 2.989,1238 3.876,1239 2.985,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.837,1245 2.91,1246 0.135,1247 0.113,1248 0.195,1249 0.124,1250 0.093,1251 4.331,1252 0.124,1253 3.606,1254 0.04,1255 6.248,1256 0.294,1257 3.97,1258 0.093,1259 2.972,1260 3.973,1261 1.277,1262 9.413,1263 2.971,1264 1.954,1265 1.929,1266 2.104,1267 2.075,1268 1.485,1269 2.087,1270 1.922,1271 1.889,1272 2.039,1273 2.023,1274 1.313,1275 2.029,1276 1.829,1277 1.783,1278 1.988,1279 1.947,1280 1.185,1281 1.962,1282 1.671,1283 1.605,1284 1.921,1285 1.854,1286 1.143,1287 1.883,1288 1.501,1289 1.446,1290 1.732,1291 1.703,1292 1.001,1293 1.714,1294 1.252,1295 1.188,1296 1.513,1297 1.464,1298 0.825,1299 1.479,1300 1.153,1301 1.064,1302 1.503,1303 1.376,1304 0.73,1305 1.429,1306 1.12,1307 1.048,1308 1.412,1309 1.336,1310 0.641,1311 1.367,1312 4.174,1314 5.468,1316 6.944,1317 2.708,1318 8.5,1319 5.094,1320 10.098,1324 13.046,1328 11.404,1329 3.475,1332 0.627,1333 2.434,1340 36.043,1341 82.737,1342 190.704,1343 265.278,1344 309.659,1345 312.413,1346 312.413,1347 53.939,1348 7.679,1349 32.34,1350 32.34,1351 25,1352 12.332,1353 3.807,1354 3,1355 45.185,1356 144,1357 140,1358 0.15,1359 219.297,1360 388.2,1361 526.844,1362 26909,1363 1.7,1364 20.054,1365 0.692,1366 0.591,1367 19.184,1368 17.13,1369 14.17,1370 0.443,1371 0.345,1372 10.949,1373 13.811,1374 10.731,1375 8.848,1376 13.776,1377 11.04,1378 12.534,1379 0.291,1380 0.199,1381 11.912,1382 8.564,1383 10.434,1384 0.193,1385 0.119,1386 10.023,1387 6.426,1388 8.13,1389 0.123,1390 0.069,1391 7.988,1392 4.557,1393 7.041,1394 0.082,1395 0.041,1396 6.75,1397 3.494,1398 0.247,1399 87.529,1400 0.213,1401 28.433,1402 0.384,1403 150,1404 393.825,1405 159.737,1406 360.487,1407 484.51,1408 338,1409 172,1410 343.773,1411 181.4,1412 345.779,1413 501.63,1414 327,1415 6.406}
{0 CHEMBL76470,1 1.272,2 13.286,3 5.175,4 26.778,5 118.314,6 6.276,7 0.387,8 4.15,9 4.285,10 3.584,11 3.723,12 5.048,13 3.656,14 4.755,15 4.962,16 3.914,17 4.152,18 5.558,19 4.052,20 5.074,21 5.315,22 3.971,23 4.342,24 5.854,25 4.193,26 5.173,27 5.451,28 3.821,29 4.311,30 5.904,31 4.121,32 5.094,33 5.389,34 3.741,35 4.201,36 5.813,37 4.011,38 4.942,39 5.211,40 3.679,41 4.09,42 5.759,43 3.923,44 4.861,45 5.113,46 3.533,47 4.006,48 5.732,49 3.831,50 4.791,51 5.082,52 3.39,53 3.918,54 5.44,55 3.713,56 0.063,57 0.835,58 14.399,59 6.1,60 7.982,61 8.693,62 0.183,63 1.441,64 26.648,65 10.192,66 15.391,67 14.958,68 0.238,69 1.842,70 36.338,71 14.419,72 30.579,73 20.838,74 0.285,75 1.917,76 39.965,77 15.636,78 37.641,79 22.641,80 0.307,81 1.733,82 36.823,83 14.435,84 33.359,85 20.933,86 0.247,87 1.497,88 31.902,89 12.397,90 33.105,91 17.674,92 0.335,93 1.362,94 29.753,95 11.367,96 44.606,97 15.972,98 0.167,99 1.292,100 26.927,101 10.893,102 21.821,103 15.791,104 5,105 42,106 0.208,107 0.488,108 0.714,109 0.827,110 0.842,111 0.842,112 3.374,113 1.047,114 -5.49,115 -5.37,116 -5.01,121 41.7,123 6,124 1,126 1,127 4,144 8,145 3,146 1,159 1,176 16,180 8,187 17,192 9,200 13,206 6,214 9,218 1,219 6,227 12,232 2,239 14,243 1,244 3,251 12,256 4,264 9,269 2,277 7,281 1230,282 19.223,283 19.223,284 19.223,285 19.223,286 19.223,287 17.681,288 23.771,289 11.512,290 19.406,291 15.315,292 15.315,293 15.315,294 15.315,295 15.315,296 12.932,297 28.82,298 5.509,299 15.59,300 4.635,301 2.913,302 1.53,303 0.838,304 0.746,305 0.746,306 4.076,311 1,312 1,313 818,314 3.082,318 364.323,322 139.418,325 2.143,326 15.588,329 0.75,330 1,331 1,332 1,333 1,334 1,335 1,336 0.96,337 58,338 372,339 4.387,340 3.609,341 6.497,342 4.049,343 3.069,344 4.011,345 1.277,346 10.134,347 3.018,348 3.949,349 3.222,350 5.966,351 3.714,352 2.737,353 3.457,354 0.916,355 8.346,356 2.699,357 3.936,358 3.017,359 5.616,360 3.647,361 2.651,362 3.274,363 0.8,364 7.785,365 2.612,366 3.596,367 2.557,368 5.329,369 3.451,370 2.452,371 2.635,372 0.172,373 6.939,374 2.449,375 3.203,376 2.33,377 5.036,378 3.031,379 2.077,380 2.325,382 5.868,383 1.972,384 3.165,385 2.225,386 4.955,387 2.948,388 1.99,389 2.245,391 5.697,392 1.897,393 2.885,394 1.974,395 4.253,396 2.568,397 1.558,398 1.974,400 3.979,401 1.571,402 2.806,403 1.52,404 3.996,405 2.416,406 1.421,407 1.864,409 3.301,410 1.413,411 2.568,412 1.461,413 3.592,414 2.308,415 1.309,416 1.576,418 3.037,419 1.305,420 2.5,421 1.09,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.155,430 1.077,431 3.365,432 1.984,433 1,434 1.1,436 2.136,437 0.983,438 2,439 1,440 3.247,441 1.894,442 0.908,443 1,445 2.123,446 0.894,447 1.755,448 0.969,449 3.105,450 1.588,451 0.565,452 0.633,454 1.314,455 0.574,456 1.216,457 0.376,458 2.773,459 1.038,460 0.056,461 0.062,463 0.139,464 0.055,465 1.079,466 0.171,467 2.452,468 0.833,469 -0.156,470 -0.176,472 -0.362,473 -0.154,474 13.633,475 0.487,476 0.571,477 0.02,478 31.25,479 1.116,480 14,481 0.5,482 17.25,483 0.616,484 27.465,485 0.981,486 30.767,487 0.513,488 20.337,489 0.726,490 5.654,491 0.202,492 8.033,493 0.287,494 0.061,496 0.279,501 0.714,502 1.347,503 0.952,504 1.158,505 0.533,506 1.084,507 1.108,508 1.078,509 1.06,510 1.007,511 0.584,512 1.013,513 1.028,514 1.132,515 1.087,516 1.115,517 0.882,518 1.105,519 1.084,520 1.054,521 1.058,522 1.062,523 1.127,524 1.06,525 0.861,526 0.902,527 0.898,528 0.924,529 1.008,530 0.916,531 1.384,532 0.971,533 1.02,534 1.006,535 1.701,536 0.994,537 1.984,538 1.004,539 1.239,540 1.052,541 2.724,542 1.103,543 0.733,544 1.038,545 0.963,546 1.034,547 0.807,548 1.021,549 5,550 0.107,551 2.889,552 1.188,553 1.4,554 0.792,555 0.384,556 0.266,557 0.225,558 0.142,559 11825,560 21928,561 2.137,562 53.3,563 5,564 19,568 2,569 6,572 1.702,573 2.049,574 3.676,575 -0.884,582 76.317,583 1.272,584 2.994,585 4.377,586 5.069,587 5.161,588 5.161,589 3.115,590 4.209,591 4.78,592 3.862,593 1459.97,594 8.266,595 20474.4,600 354.413,601 1.198,602 4.76,603 0.161,604 0.005,605 0.069,606 0.028,607 0.041,608 0.025,609 0.013,610 0.011,611 0.01,612 0.006,613 0.37,614 0.5,615 0.88,616 0.444,617 144.393,618 0.056,619 -0.139,620 0.072,621 -0.027,622 0.031,623 0.013,624 -0.097,625 0.071,626 -0.035,627 0.021,628 0.015,629 0.005,630 -0.055,631 -0.093,632 -0.092,633 -0.103,634 0.019,635 -0.1,636 -0.051,637 -0.087,638 -0.076,639 -0.086,640 -0.043,641 -0.083,642 0.111,643 0.038,644 0.076,645 0.04,646 0.02,647 0.054,648 -0.043,649 -0.012,650 -0.017,651 -0.028,652 -0.07,653 -0.02,654 -0.152,655 -0.047,656 -0.205,657 -0.071,658 -0.283,659 -0.137,660 0.016,661 -0.099,662 -0.006,663 -0.053,664 -0.042,665 -0.036,666 1.353,667 5.756,668 0.786,669 30.347,670 0.98,671 1.124,672 4.264,673 18.178,674 0.648,675 3.466,676 3.761,677 4.007,678 4.22,679 4.466,680 4.443,681 4.511,682 4.585,683 4.663,684 4.635,685 7.755,686 0.594,687 376.59,688 3.466,689 4.99,690 5.826,691 6.681,692 7.53,693 8.388,694 9.242,695 10.103,696 10.96,697 11.821,698 3.3,701 1,704 1,715 8,720 4,722 12,727 1,736 1,741 60,743 13,744 2,745 31,747 63,748 25,749 12,750 4,751 8,752 1,756 4,757 5,767 4,768 1,770 6,772 13,773 12,774 1,777 1,782 1,786 1,793 32,794 3,796 3,802 2,808 0.75,809 1,829 4,833 1,855 1,859 3,864 1,868 28,876 10,880 1,881 2,893 1.7,896 1,901 13.667,902 10.817,903 6.167,904 3.997,907 2.013,908 1.265,909 0.982,910 6.24,911 9.596,912 3.664,913 4.159,914 4.644,915 5.1,916 5.589,917 5.629,918 5.821,919 5.886,920 5.996,921 5.984,922 0.889,923 42,924 10.456,926 4.408,927 0.026,929 7.417,931 21.06,933 17.988,936 1.917,937 53.667,940 1,941 376.675,942 125.283,943 6.249,945 25.145,948 125.283,949 401.82,950 6.249,951 8.396,952 23.63,953 75.81,954 30.278,955 18.562,957 376.675,959 376.675,960 131.532,961 25.145,964 306.049,965 95.772,968 26.754,969 104.778,972 376.675,973 31.394,974 125.283,977 376.675,978 41.077,979 90.455,981 25.145,982 376.675,983 31.394,984 125.283,986 0.576,987 0.333,988 0.174,989 0.098,990 20,991 8,992 0.095,993 6,994 1,995 1.091,996 4.186,997 232.148,998 0.091,999 22,1000 126.606,1005 19.359,1006 9.026,1007 4.916,1009 31.394,1010 17.065,1015 4.935,1018 533.352,1019 38,1024 12.756,1028 0.313,1031 58.785,1032 67.434,1034 0.215,1035 0.507,1036 0.741,1037 0.858,1038 0.874,1039 0.874,1040 4.898,1041 1.421,1042 5.784,1043 3.979,1044 4.443,1045 4.844,1046 1.906,1047 6.538,1048 4.411,1049 6.044,1050 1.309,1051 7.306,1052 3.301,1053 3.892,1054 4.443,1055 0.57,1056 7.31,1057 3.836,1058 7.31,1059 1,1060 8.925,1061 3.037,1062 5.984,1063 6.865,1064 2.047,1065 10.38,1066 5.919,1067 8.607,1068 1,1069 10.603,1070 2.275,1071 6.256,1072 7.295,1073 0.581,1074 11.991,1075 6.172,1076 9.937,1077 0.908,1078 12.32,1079 2.136,1080 7.786,1081 9.198,1082 2.367,1083 14.558,1084 7.692,1085 11.291,1086 0.565,1087 14.062,1088 2.123,1089 8.456,1090 10.036,1091 0.515,1092 16.536,1093 8.346,1094 12.663,1095 0.056,1096 15.825,1097 1.314,1098 9.739,1099 11.699,1100 2.767,1101 18.926,1102 9.616,1103 3.069,1104 -0.156,1105 17.603,1106 0.139,1107 10.614,1108 12.759,1109 0.441,1110 21.076,1111 10.475,1112 2.737,1113 10.134,1114 19.392,1115 -0.362,1116 11.784,1117 14.296,1118 3.207,1119 23.403,1120 11.631,1121 2.651,1122 8.346,1123 21.192,1124 4.011,1125 12.766,1126 15.485,1127 0.373,1128 25.635,1129 12.597,1130 2.452,1131 7.785,1132 23,1133 3.457,1134 13.888,1135 16.952,1136 3.669,1137 27.943,1138 13.703,1139 2.077,1140 6.939,1141 24.816,1142 3.274,1143 14.926,1144 18.217,1145 0.314,1146 30.215,1147 14.724,1148 1.99,1149 5.868,1150 26.638,1151 2.635,1152 16.03,1153 19.646,1154 4.143,1155 32.519,1156 15.811,1157 1.558,1158 5.697,1159 28.465,1160 2.325,1161 17.098,1162 20.958,1163 0.264,1164 34.81,1165 16.862,1166 10997,1167 15060,1168 21.266,1169 38.887,1170 45.939,1171 46.675,1172 46.416,1173 45.633,1174 45.586,1175 55.311,1176 6.333,1177 126.143,1178 44.882,1179 5.387,1180 5.609,1181 6.299,1182 5.087,1183 5.069,1184 7.011,1185 2.555,1186 16.818,1187 5.018,1188 9.689,1189 1.482,1190 1.506,1191 1.497,1192 1.472,1193 1.471,1194 1.784,1195 0.204,1196 4.069,1197 1.448,1198 4.034,1199 4.07,1200 3.969,1201 3.952,1202 7.427,1203 3.952,1204 3.943,1205 3.987,1206 3.86,1207 3.862,1208 4.761,1209 3.856,1210 3.826,1211 3.873,1212 3.712,1213 3.725,1214 4.708,1215 3.714,1216 3.625,1217 3.675,1218 3.519,1219 3.477,1220 4.317,1221 3.477,1222 3.419,1223 3.49,1224 3.269,1225 3.262,1226 4.152,1227 3.254,1228 3.246,1229 3.339,1230 3.082,1231 3.052,1232 3.902,1233 3.048,1234 3.179,1235 3.246,1236 3.009,1237 3.007,1238 3.814,1239 2.996,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.674,1245 2.91,1246 0.142,1247 0.116,1248 0.21,1249 0.131,1250 0.099,1251 4.387,1252 0.129,1253 3.609,1254 0.041,1255 6.497,1256 0.327,1257 4.049,1258 0.097,1259 3.069,1260 4.011,1261 1.277,1262 10.134,1263 3.018,1264 1.989,1265 1.961,1266 2.116,1267 2.097,1268 1.485,1269 2.105,1270 1.932,1271 1.895,1272 2.086,1273 2.06,1274 1.364,1275 2.073,1276 1.838,1277 1.79,1278 2.013,1279 1.953,1280 1.169,1281 1.975,1282 1.604,1283 1.553,1284 1.814,1285 1.783,1286 1.052,1287 1.794,1288 1.42,1289 1.352,1290 1.676,1291 1.608,1292 0.913,1293 1.635,1294 1.245,1295 1.155,1296 1.593,1297 1.498,1298 0.825,1299 1.536,1300 1.176,1301 1.109,1302 1.513,1303 1.381,1304 0.717,1305 1.429,1306 1.153,1307 1.064,1308 1.452,1309 1.376,1310 0.681,1311 1.408,1312 4.143,1314 5.442,1316 6.942,1318 8.528,1320 10.157,1322 2.134,1328 10.933,1332 0.691,1333 4.838,1340 35.66,1341 76.317,1342 179.619,1343 262.639,1344 304.149,1345 309.659,1346 309.659,1347 44.227,1348 7.583,1349 23.55,1350 23.55,1351 24,1352 12.371,1353 3.807,1354 3,1355 42.862,1356 133,1357 122,1358 0.155,1359 218.098,1360 382.13,1361 523.92,1362 23327,1364 19.347,1365 0.691,1366 0.61,1367 19.347,1368 17.07,1369 13.687,1370 0.442,1371 0.349,1372 10.745,1373 13.409,1374 10.449,1375 8.656,1376 13.687,1377 10.824,1378 12.086,1379 0.288,1380 0.203,1381 12.086,1382 8.536,1383 10.247,1384 0.19,1385 0.12,1386 10.247,1387 6.494,1388 8.175,1389 0.122,1390 0.07,1391 8.175,1392 4.686,1393 6.853,1394 0.08,1395 0.041,1396 6.853,1397 3.515,1398 0.254,1399 83.969,1400 0.217,1401 27.516,1402 0.399,1403 146,1404 307.026,1405 152.267,1406 305.097,1407 422.54,1408 288,1409 169,1410 308.214,1411 176.322,1412 318.593,1413 461.88,1414 300,1415 7.444}
{0 CHEMBL76640,1 1.514,2 7.75,3 2.35,4 5.524,5 78.396,6 6.717,7 0.273,8 3.811,9 3.945,10 3.3,11 3.266,12 4.816,13 3.246,14 4.409,15 4.62,16 3.729,17 3.718,18 5.388,19 3.681,20 4.633,21 4.819,22 3.818,23 3.946,24 5.555,25 3.871,26 4.866,27 5.121,28 3.687,29 3.998,30 5.726,31 3.871,32 4.763,33 5.016,34 3.449,35 3.87,36 5.622,37 3.691,38 4.702,39 5.028,40 3.158,41 3.561,42 5.427,43 3.364,44 4.18,45 4.441,46 3.031,47 3.147,48 5.135,49 3.041,50 3.974,51 4.207,52 2.834,53 2.9,54 5.134,55 2.842,56 0.016,57 0.61,58 9.777,59 3.564,60 7.208,61 5.272,62 0.409,63 0.992,64 19.073,65 5.869,66 31.708,67 8.999,68 0.14,69 1.233,70 23.144,71 8.368,72 23.071,73 12.233,74 0.385,75 1.359,76 30.467,77 9.499,78 41.884,79 14.547,80 0.212,81 1.182,82 26.912,83 9.705,84 33.769,85 14.401,86 0.382,87 0.907,88 26.666,89 8.094,90 39.734,91 12.487,92 0.242,93 0.597,94 15.636,95 4.565,96 23.857,97 6.893,98 0.339,99 0.486,100 13.163,101 2.863,102 35.661,103 4.506,104 29,105 34,106 0.273,107 0.597,108 0.78,109 0.863,110 0.863,111 0.863,112 3.06,113 0.947,114 -3.1,115 -3.1,116 -2.98,121 36.6,122 1,123 1,125 1,126 3,127 1,130 1,144 3,145 1,146 2,161 1,176 5,179 2,180 7,183 2,187 6,192 8,200 5,206 5,211 2,214 3,218 1,219 5,224 2,227 2,231 1,232 1,237 1,243 1,244 2,247 1,249 2,255 1,259 1,281 440,282 13.126,283 13.126,284 13.126,285 13.126,286 13.126,287 12.31,288 21.635,289 7.283,290 13.514,291 10.727,292 10.727,293 10.727,294 10.727,295 10.727,296 9.338,297 28.989,298 3.333,299 11.293,300 3.844,301 2.043,302 1.025,303 0.561,304 0.561,305 0.561,306 3.727,310 1,311 1,312 1,313 330,314 3.317,317 66.943,318 39.192,320 54.145,321 59.02,324 81.997,325 1.2,326 14.981,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 43.5,338 155,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 3.981,349 3.658,350 6.211,351 3.638,352 2.687,353 3.318,354 0.966,355 8.828,356 2.558,357 3.674,358 2.82,359 6.169,360 3.396,361 2.456,362 2.879,363 0.693,364 8.458,365 2.29,366 3.471,367 2.742,368 5.444,369 3.295,370 2.362,371 2.592,372 0.366,373 7.152,374 2.188,375 3.297,376 2.505,377 4.838,378 2.95,379 1.988,380 2.419,382 5.281,383 1.895,384 2.616,385 1.746,386 4.67,387 2.42,388 1.476,389 1.63,391 4.351,392 1.388,393 2.518,394 1.171,395 4.214,396 2.128,397 1.134,398 1.523,400 3.06,401 1.126,402 1.787,403 1.106,404 3.723,405 1.698,406 0.735,407 0.765,409 1.826,410 0.705,411 1.507,412 0.915,413 3.088,414 1.304,415 0.39,416 0.414,418 0.594,419 0.352,420 1.224,421 0.653,422 2.931,423 0.834,424 -0.136,425 -0.165,427 -0.306,428 -0.13,429 0.762,430 -0.015,431 2.582,432 0.638,433 -0.304,434 -0.319,436 -0.747,437 -0.285,438 0.665,439 -0.171,440 2.427,441 0.308,442 -0.679,443 -0.834,445 -1.876,446 -0.662,447 0.524,448 -0.587,449 2.277,450 0.083,451 -0.908,452 -1,454 -2.679,455 -0.893,457 -0.792,458 2.139,459 -0.049,460 -1,461 -1.234,463 -2.804,464 -0.946,465 -0.169,466 -0.875,467 1.891,468 -0.397,469 -1.363,470 -1.524,472 -3.083,473 -1.31,474 9.367,475 0.468,476 0.703,477 0.035,478 22.25,479 1.113,480 8.5,481 0.425,482 13.75,483 0.688,484 18.124,485 0.906,486 23.033,487 0.562,488 15.515,489 0.776,490 4.311,491 0.216,492 5.158,493 0.258,494 0.249,495 0.053,496 0.352,501 0.824,502 1.668,503 0.864,504 1.326,505 0.62,506 1.126,507 0.754,508 0.752,509 0.782,510 0.669,511 0.394,512 0.696,513 0.943,514 1.408,515 1.045,516 1.298,517 0.67,518 1.207,519 1.121,520 0.926,521 1.134,522 0.971,523 0.868,524 1.033,525 0.644,526 1.282,527 1.12,528 1.415,529 0.779,530 1.36,531 0.871,532 0.709,533 0.737,534 0.748,535 0.737,536 0.738,537 1.197,538 1.068,539 0.921,540 1.041,541 1.211,542 0.97,543 2.297,544 0.873,545 1.406,546 0.821,547 3.215,548 0.961,549 5.5,551 3.556,552 3.146,553 1.246,554 0.646,555 0.471,556 0.297,557 0.168,558 0.045,559 3227,560 7706,561 2.007,562 51.2,563 3,564 14,565 1,567 1,569 2,572 1.622,573 1.805,574 2.896,575 -0.271,577 1,579 1,582 62.063,583 1.514,584 3.315,585 4.332,586 4.796,587 4.796,588 4.796,589 2.423,590 4.022,591 4.289,592 3.025,593 574.662,594 7.351,595 5586.97,596 1,597 1,599 1,600 219.66,601 1.776,602 4.203,603 0.25,605 0.105,606 0.087,607 0.042,608 0.031,609 0.029,610 0.021,611 0.015,612 0.009,613 0.589,614 0.83,615 1,616 1.364,617 86.168,618 -0.017,619 -0.349,620 0.079,621 -0.148,622 -0.045,623 -0.039,624 0.242,625 0.439,626 0.21,627 0.346,628 0.24,629 0.293,630 -0.084,631 -0.253,632 -0.101,633 -0.18,634 0.009,635 -0.151,636 -0.186,637 0.099,638 -0.165,639 0.012,640 -0.049,641 -0.056,642 0.047,643 -0.304,644 -0.2,645 -0.369,646 -0.042,647 -0.331,648 0.079,649 0.052,650 0.239,651 0.158,652 0.013,653 0.213,654 0.091,655 -0.18,656 0.096,657 -0.106,658 0.036,659 -0.028,660 -0.287,661 0.092,662 -0.282,663 0.004,664 -0.337,665 -0.127,666 2.096,667 4.353,668 0.6,669 13.5,670 0.998,671 1.138,672 1.869,673 3.493,674 0.629,675 3.135,676 3.555,677 3.912,678 4.263,679 4.466,680 4.564,681 4.754,682 4.804,683 4.71,684 4.615,685 4.564,686 0.591,687 275.39,688 3.135,689 4.727,690 5.631,691 6.578,692 7.509,693 8.466,694 9.411,695 10.372,696 11.325,697 12.289,698 7.3,701 1,704 1,705 1,715 3,720 3,722 6,736 1,737 1,741 41,743 7,744 1,745 22,747 43,748 15,749 6,750 3,751 3,756 3,757 6,763 1,764 1,766 1,767 1,770 1,772 7,773 8,777 1,782 1,786 1,789 1,790 1,793 21,794 5,795 1,796 5,802 3,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 4,868 20,876 2,877 1,878 1,880 1,881 2,882 1,893 4.9,896 1,898 1,901 11.083,902 8.567,903 4.319,904 2.399,907 1.322,908 1.191,909 0.934,910 3.179,911 8.23,912 3.296,913 3.861,914 4.385,915 4.93,916 5.417,917 5.674,918 6.04,919 6.273,920 6.285,921 6.221,922 1,923 36,924 7.403,926 3.149,927 0.026,929 7.663,931 14.401,933 12.196,936 2.163,937 43.25,938 0.001,941 235.422,942 85.032,943 24.259,945 36.145,948 85.032,949 271.567,950 24.259,951 34.014,952 22.651,953 28.429,954 25.145,955 28.434,956 18.534,957 223.651,959 235.422,960 109.291,961 36.145,964 211.88,965 59.687,968 34.601,969 74.69,972 235.422,973 60.404,974 85.032,977 235.422,978 22.588,979 68.692,980 18.011,981 36.145,982 235.422,983 60.404,984 85.032,986 0.603,987 0.374,988 0.203,989 0.107,990 19,991 9,992 0.047,993 2,994 2,995 1.333,996 3.052,997 161.667,998 0.333,999 12,1000 86.439,1005 13.711,1006 4.638,1007 1.935,1009 60.404,1010 5.917,1015 3.108,1017 18.011,1018 380.858,1019 26,1024 11.353,1028 -0.429,1031 40.912,1032 46.651,1034 0.283,1035 0.619,1036 0.809,1037 0.895,1038 0.895,1039 0.895,1040 4.62,1041 0.735,1042 5.707,1043 3.06,1044 4.234,1045 4.543,1046 2.466,1047 6.693,1048 4.142,1049 5.85,1050 0.39,1051 7.388,1052 1.826,1053 4.205,1054 4.559,1055 1.905,1056 8.162,1057 4.094,1058 7.208,1059 -0.136,1060 9.187,1061 0.594,1062 6.043,1063 6.66,1064 3.531,1065 11.337,1066 5.888,1067 8.603,1068 -0.304,1069 11.06,1070 -0.306,1071 6.825,1072 7.43,1073 3.612,1074 13.665,1075 6.668,1076 10.036,1077 -0.679,1078 12.984,1079 -0.747,1080 8.256,1081 9.119,1082 4.913,1083 16.498,1084 8.071,1085 11.496,1086 -0.908,1087 14.946,1088 -1.876,1089 9.371,1090 10.225,1091 5.293,1092 19.111,1093 9.183,1094 12.977,1095 -1,1096 16.935,1097 -2.679,1098 10.699,1099 11.768,1100 6.388,1101 21.864,1102 10.491,1103 3.737,1104 -1.363,1105 18.946,1106 -2.804,1107 11.942,1108 13.036,1109 6.931,1110 24.559,1111 11.723,1112 2.687,1113 15.306,1114 20.973,1115 -3.083,1116 13.251,1117 14.519,1118 7.902,1119 27.294,1120 13.015,1121 2.456,1122 8.828,1123 23.013,1124 4.206,1125 14.54,1126 15.868,1127 8.539,1128 30.013,1129 14.288,1130 2.362,1131 8.458,1132 25.062,1133 3.318,1134 15.85,1135 17.326,1136 9.436,1137 32.743,1138 15.58,1139 1.988,1140 7.152,1141 27.119,1142 2.879,1143 17.157,1144 18.716,1145 10.13,1146 35.468,1147 16.867,1148 1.476,1149 5.281,1150 29.181,1151 2.592,1152 18.47,1153 20.161,1154 10.981,1155 38.197,1156 18.161,1157 1.134,1158 4.351,1159 31.247,1160 2.419,1161 19.783,1162 21.573,1163 11.71,1164 40.924,1165 19.454,1166 3288,1167 5165,1168 13.929,1169 25.779,1170 34.178,1171 35.306,1172 37.092,1173 33.903,1174 33.929,1175 39.492,1176 8.422,1177 109.713,1178 32.32,1179 5.797,1180 5.973,1181 7.557,1182 5.778,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 11.799,1189 1.554,1190 1.605,1191 1.686,1192 1.541,1193 1.542,1194 1.795,1195 0.383,1196 4.987,1197 1.469,1198 4.089,1199 4.128,1200 4.037,1201 3.994,1202 7.435,1203 3.999,1204 3.71,1205 3.751,1206 3.631,1207 3.564,1208 4.834,1209 3.569,1210 3.517,1211 3.584,1212 3.422,1213 3.21,1214 4.454,1215 3.255,1216 3.291,1217 3.388,1218 3.117,1219 3.061,1220 4.224,1221 3.06,1222 3.243,1223 3.339,1224 3.041,1225 3.035,1226 4.05,1227 3.024,1228 2.976,1229 3.093,1230 2.77,1231 2.762,1232 3.897,1233 2.729,1234 2.969,1235 3.014,1236 2.679,1237 2.697,1238 3.815,1239 2.698,1240 2.775,1241 2.849,1242 2.583,1243 2.611,1244 3.497,1245 2.599,1246 0.22,1247 0.181,1248 0.364,1249 0.214,1250 0.17,1251 4.832,1252 0.191,1253 3.973,1254 0.099,1255 8.006,1256 0.696,1257 4.714,1258 0.166,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.903,1265 1.884,1266 2.004,1267 1.995,1268 1.31,1269 1.995,1270 1.633,1271 1.578,1272 1.833,1273 1.836,1274 1.058,1275 1.837,1276 1.535,1277 1.455,1278 1.788,1279 1.772,1280 1.013,1281 1.781,1282 1.4,1283 1.327,1284 1.69,1285 1.717,1286 0.683,1287 1.712,1288 1.22,1289 1.124,1290 1.577,1291 1.488,1292 0.642,1293 1.522,1294 1.014,1295 0.899,1296 1.453,1297 1.291,1298 0.563,1299 1.354,1300 0.878,1301 0.833,1302 1.177,1303 1.209,1304 0.347,1305 1.176,1306 0.797,1307 0.727,1308 1.077,1309 1.041,1310 0.15,1311 1.091,1312 3.807,1314 5.198,1315 3.045,1316 6.792,1317 5.638,1318 8.486,1319 7.921,1320 10.242,1322 8.163,1328 2.209,1329 2.473,1330 5.262,1332 0.382,1333 4.714,1334 0.098,1340 24.235,1341 62.063,1342 135.908,1343 177.621,1344 196.64,1345 196.64,1346 196.64,1347 28.295,1348 6.908,1349 44.81,1350 44.81,1351 16,1352 12.771,1353 3,1354 2.322,1355 29.875,1356 54,1357 64,1358 0.29,1359 149.141,1360 260.1,1361 355.664,1362 7381,1364 14.491,1365 0.725,1366 0.622,1367 14.491,1368 12.435,1369 9.469,1370 0.43,1371 0.316,1372 6.811,1373 8.995,1374 6.493,1375 5.434,1376 9.469,1377 6.943,1378 9.105,1379 0.268,1380 0.175,1381 9.105,1382 5.951,1383 8.047,1384 0.164,1385 0.096,1386 8.047,1387 4.716,1388 6.971,1389 0.1,1390 0.054,1391 6.971,1392 3.777,1393 5.42,1394 0.063,1395 0.029,1396 5.42,1397 2.527,1398 0.431,1399 60.049,1400 0.268,1401 19.279,1402 0.867,1403 112,1404 299.094,1405 124.692,1406 284.125,1407 392.55,1408 266,1409 139,1410 296.247,1411 151.976,1412 300.356,1413 445.67,1414 279,1415 5.005}
{0 CHEMBL77896,1 1.406,2 10.531,3 5.517,4 30.442,5 127.622,6 7.01,7 0.5,8 4.201,9 4.322,10 3.732,11 3.767,12 5.225,13 3.732,14 4.766,15 4.943,16 4.123,17 4.197,18 5.759,19 4.141,20 5.043,21 5.239,22 4.198,23 4.383,24 5.924,25 4.29,26 5.217,27 5.465,28 4.159,29 4.424,30 6.034,31 4.308,32 5.185,33 5.412,34 4.222,35 4.474,36 6.028,37 4.357,38 5.285,39 5.53,40 4.256,41 4.538,42 6.1,43 4.414,44 5.254,45 5.48,46 4.222,47 4.537,48 6.139,49 4.402,50 5.264,51 5.524,52 4.036,53 4.418,54 6.148,55 4.261,56 0.044,57 0.865,58 13.325,59 5.75,60 10.019,61 7.775,62 0.41,63 1.476,64 25.289,65 9.559,66 36.342,67 13.378,68 0.205,69 1.869,70 33.677,71 13.357,72 31.662,73 18.553,74 0.436,75 2.158,76 42.431,77 14.822,78 49.285,79 21.215,80 0.305,81 2.099,82 39.716,83 15.685,84 38.741,85 22.134,86 0.421,87 2.243,88 45.003,89 17.571,90 47.458,91 24.668,92 0.335,93 2.21,94 42.55,95 17.542,96 44.787,97 24.414,98 0.472,99 2.134,100 44.926,101 17.11,102 63.92,103 24.032,104 13,105 52,106 0.226,107 0.527,108 0.702,109 0.797,110 0.822,111 0.843,112 3.503,113 0.934,114 -5.29,115 -5.18,116 -4.84,121 44.3,122 1,123 1,125 1,126 1,127 3,130 1,144 13,145 3,146 2,161 1,176 17,179 2,180 9,183 2,187 18,192 12,200 11,206 11,211 2,214 8,218 1,219 11,224 2,227 18,231 1,232 5,237 1,239 25,243 1,244 5,247 1,249 2,251 26,255 1,256 3,259 1,264 20,269 5,274 1,277 14,281 1848,282 21.988,283 21.988,284 21.988,285 21.988,286 21.988,287 19.67,288 29.056,289 12.992,290 22.359,291 17.757,292 17.757,293 17.757,294 17.757,295 17.757,296 14.307,297 40.996,298 6.171,299 18.333,300 4.525,301 2.649,302 1.559,303 0.968,304 0.812,305 0.68,306 4.212,311 1,312 1,313 737,314 3.742,317 114.372,318 247.545,320 93.344,321 105.886,324 143.875,325 1.781,326 19.596,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 67.5,338 337,339 4.842,340 3.989,341 8.016,342 4.724,343 3.748,344 4.212,345 2.186,346 15.396,347 3.663,348 4.01,349 3.658,350 6.312,351 3.685,352 2.728,353 3.467,354 1.042,355 9.241,356 2.617,357 3.924,358 2.988,359 6.247,360 3.622,361 2.652,362 3.451,363 0.843,364 9.026,365 2.577,366 3.896,367 2.942,368 5.519,369 3.528,370 2.563,371 3.306,372 0.366,373 7.441,374 2.479,375 3.664,376 2.68,377 5.388,378 3.326,379 2.36,380 2.881,381 0.265,382 6.951,383 2.249,384 3.475,385 2.492,386 5.31,387 3.228,388 2.267,389 2.611,390 0.114,391 6.759,392 2.158,393 3.313,394 2.411,395 4.903,396 2.954,397 1.989,398 2.465,400 5.369,401 1.903,402 2.952,403 1.804,404 4.707,405 2.574,406 1.602,407 2.116,409 4.72,410 1.556,411 2.871,412 1.544,413 4.221,414 2.441,415 1.444,416 2.021,418 3.152,419 1.439,420 2.595,421 1.46,422 3.917,423 2.304,424 1.329,425 1.613,427 3.027,428 1.291,429 2.517,430 1.168,431 3.597,432 2.126,433 1.131,434 1.522,436 3.002,437 1.124,438 2.5,439 1.106,440 3.548,441 2,442 1,443 1.5,445 2.136,446 1,447 2.5,448 1,449 3.247,450 2,451 1,452 1.5,454 2.136,455 1,456 1.831,457 1,458 3.247,459 1.729,460 0.762,461 0.805,463 1.992,464 0.735,465 1.513,466 0.922,467 3.168,468 1.311,469 0.398,470 0.424,472 0.624,473 0.359,474 15.367,475 0.48,476 0.763,477 0.024,478 41.25,479 1.289,480 20.5,481 0.641,482 20.75,483 0.648,484 29.791,485 0.931,486 33.833,487 0.555,488 32.24,489 1.008,490 8.142,491 0.254,492 7.439,493 0.232,494 0.087,495 0.033,496 0.28,501 0.803,502 1.305,503 0.828,504 1.082,505 0.62,506 0.973,507 0.757,508 0.941,509 0.902,510 0.878,511 0.471,512 0.888,513 0.968,514 1.319,515 1.048,516 1.194,517 0.696,518 1.141,519 1.239,520 0.957,521 1.072,522 0.903,523 0.904,524 0.947,525 0.769,526 1.101,527 0.988,528 1.08,529 0.725,530 1.059,531 0.902,532 0.875,533 0.917,534 0.891,535 0.686,536 0.905,537 0.738,538 1.101,539 1.055,540 1.164,541 0.756,542 1.152,543 1.013,544 0.923,545 1.056,546 1.01,547 1.326,548 1.037,549 6.5,550 0.128,551 3.556,552 3.146,553 1.833,554 1.508,555 1.059,556 0.661,557 0.394,558 0.164,559 13087,560 30290,561 2.147,562 47.5,563 3,564 22,565 1,567 1,569 2,572 1.754,573 2.032,574 3.343,575 -0.434,582 85.757,583 1.406,584 3.282,585 4.371,586 4.963,587 5.119,588 5.25,589 2.864,590 4.625,591 4.961,592 3.532,593 1751.84,594 8.738,595 24570.1,600 361.775,601 1.438,602 4.937,603 0.181,604 0.005,605 0.068,606 0.058,607 0.036,608 0.027,609 0.018,610 0.012,611 0.009,612 0.005,613 0.421,614 0.33,615 0.88,616 0.945,617 164.54,618 0.007,619 -0.153,620 0.073,621 -0.044,622 -0.026,623 0.01,624 0.262,625 0.196,626 0.053,627 0.102,628 0.189,629 0.065,630 -0.047,631 -0.272,632 -0.098,633 -0.193,634 -0.005,635 -0.161,636 -0.162,637 0.079,638 -0.074,639 0.046,640 -0.053,641 0.007,642 0.027,643 -0.087,644 -0.033,645 -0.083,646 0.002,647 -0.068,648 -0.01,649 0.097,650 0.057,651 0.106,652 -0.025,653 0.092,654 0.038,655 -0.117,656 -0.106,657 -0.15,658 -0.02,659 -0.148,660 -0.016,661 0.023,662 -0.064,663 -0.028,664 -0.096,665 -0.048,666 2.108,667 4.798,668 0.75,669 36.172,670 0.991,671 1.12,672 4.065,673 16.521,674 0.669,675 3.611,676 3.97,677 4.304,678 4.663,679 4.963,680 5.147,681 5.425,682 5.628,683 5.765,684 5.886,685 6.427,686 0.629,687 427.59,688 3.611,689 5.176,690 6.057,691 6.974,692 7.888,693 8.826,694 9.759,695 10.71,696 11.657,697 12.617,698 4.9,701 1,704 1,705 1,715 13,720 5,722 18,736 1,737 1,741 61,743 19,744 3,745 36,747 65,748 27,749 18,750 5,751 13,756 5,757 8,763 1,764 1,766 1,767 1,770 1,772 19,773 8,777 1,782 1,786 1,793 29,794 5,795 1,796 5,802 3,808 0.6,809 2,825 1,828 2,829 3,831 1,832 1,835 1,855 1,859 3,864 2,868 32,876 4,877 1,878 1,880 1,881 2,882 1,893 3.3,896 1,898 1,901 15.75,902 11.4,903 6.986,904 3.671,907 2.806,908 1.336,909 0.989,910 5.663,911 11.153,912 3.85,913 4.413,914 4.94,915 5.487,916 6.014,917 6.18,918 6.618,919 7.018,920 7.336,921 7.658,922 1,923 54,924 11.851,926 5.079,927 0.026,929 7.549,931 23.24,933 19.806,936 2.049,937 65.583,941 329.591,942 173.584,943 24.259,945 36.145,948 173.584,949 365.736,950 24.259,951 17.222,952 26.862,953 123.191,954 25.145,955 34.805,956 18.534,957 317.82,959 329.591,960 197.843,961 36.145,964 306.049,965 59.687,968 38.812,969 159.031,972 329.591,973 60.404,974 173.584,977 329.591,978 33.171,979 146.661,980 18.011,981 36.145,982 329.591,983 60.404,984 173.584,986 0.581,987 0.343,988 0.191,989 0.111,990 27,991 11,992 0.092,993 6,994 2,995 1.167,996 4.209,997 316.985,998 0.167,999 24,1000 152,1005 21.05,1006 8.608,1007 3.927,1009 60.404,1010 27.408,1015 5.695,1017 18.011,1018 563.579,1019 46,1024 11.798,1028 -0.442,1031 60.447,1032 68.311,1034 0.237,1035 0.553,1036 0.737,1037 0.837,1038 0.863,1039 0.885,1040 5.115,1041 1.602,1042 6.071,1043 5.369,1044 4.654,1045 5.1,1046 2.554,1047 6.982,1048 4.591,1049 6.313,1050 1.444,1051 7.688,1052 4.72,1053 4.369,1054 4.808,1055 1.905,1056 8.293,1057 4.277,1058 7.629,1059 1.329,1060 9.428,1061 3.152,1062 6.358,1063 7.195,1064 3.56,1065 11.477,1066 6.234,1067 8.982,1068 1.131,1069 11.252,1070 3.027,1071 6.967,1072 7.692,1073 3.622,1074 13.745,1075 6.822,1076 10.374,1077 1,1078 13.136,1079 3.002,1080 8.459,1081 9.58,1082 4.92,1083 16.575,1084 8.291,1085 11.796,1086 1,1087 15.066,1088 2.136,1089 9.48,1090 10.469,1091 5.296,1092 19.171,1093 9.295,1094 13.242,1095 0.762,1096 17.032,1097 2.136,1098 10.822,1099 12.133,1100 6.39,1101 21.925,1102 10.617,1103 3.748,1104 0.398,1105 19.024,1106 1.992,1107 12.022,1108 13.245,1109 6.932,1110 24.62,1111 11.799,1112 2.728,1113 15.396,1114 21.037,1115 0.624,1116 13.331,1117 14.794,1118 7.902,1119 27.358,1120 13.088,1121 2.652,1122 9.241,1123 23.066,1124 4.212,1125 14.602,1126 16.038,1127 8.54,1128 30.08,1129 14.34,1130 2.563,1131 9.026,1132 25.108,1133 3.467,1134 15.911,1135 17.526,1136 9.436,1137 32.815,1138 15.628,1139 2.36,1140 7.441,1141 27.159,1142 3.451,1143 17.211,1144 18.85,1145 10.13,1146 35.545,1147 16.907,1148 2.267,1149 6.951,1150 29.218,1151 3.306,1152 18.524,1153 20.308,1154 10.981,1155 38.279,1156 18.199,1157 1.989,1158 6.759,1159 31.281,1160 2.881,1161 19.836,1162 21.679,1163 11.71,1164 41.012,1165 19.489,1166 12370,1167 18927,1168 24.444,1169 40.824,1170 54.514,1171 55.573,1172 56.159,1173 54.131,1174 54.16,1175 68.027,1176 9.634,1177 162.538,1178 52.502,1179 5.813,1180 5.989,1181 7.818,1182 5.79,1183 5.748,1184 7.212,1185 3.889,1186 23.974,1187 5.663,1188 12.903,1189 1.514,1190 1.544,1191 1.56,1192 1.504,1193 1.504,1194 1.89,1195 0.268,1196 4.515,1197 1.458,1198 4.114,1199 4.151,1200 4.06,1201 4.018,1202 7.435,1203 4.023,1204 3.899,1205 3.931,1206 3.826,1207 3.839,1208 4.851,1209 3.832,1210 3.88,1211 3.909,1212 3.807,1213 3.826,1214 4.746,1215 3.817,1216 3.692,1217 3.731,1218 3.614,1219 3.552,1220 4.735,1221 3.556,1222 3.511,1223 3.577,1224 3.416,1225 3.21,1226 4.415,1227 3.254,1228 3.266,1229 3.342,1230 3.133,1231 3.092,1232 4.205,1233 3.091,1234 3.232,1235 3.312,1236 3.07,1237 3.068,1238 4.007,1239 3.059,1240 3.015,1241 3.106,1242 2.817,1243 2.855,1244 3.858,1245 2.829,1246 0.134,1247 0.111,1248 0.223,1249 0.131,1250 0.104,1251 4.842,1252 0.117,1253 3.989,1254 0.061,1255 8.016,1256 0.428,1257 4.724,1258 0.102,1259 3.748,1260 4.212,1261 2.186,1262 15.396,1263 3.663,1264 1.93,1265 1.903,1266 2.05,1267 2.03,1268 1.311,1269 2.037,1270 1.91,1271 1.881,1272 2.037,1273 1.996,1274 1.218,1275 2.011,1276 1.885,1277 1.861,1278 1.997,1279 1.968,1280 1.163,1281 1.978,1282 1.612,1283 1.563,1284 1.81,1285 1.777,1286 0.996,1287 1.788,1288 1.495,1289 1.423,1290 1.713,1291 1.745,1292 0.96,1293 1.733,1294 1.398,1295 1.325,1296 1.688,1297 1.692,1298 0.683,1299 1.7,1300 1.207,1301 1.139,1302 1.479,1303 1.42,1304 0.653,1305 1.442,1306 1.05,1307 0.971,1308 1.403,1309 1.269,1310 0.584,1311 1.322,1312 4.29,1314 5.638,1315 3.045,1316 7.191,1317 5.638,1318 8.842,1319 7.934,1320 10.557,1322 3.934,1328 3.852,1329 2.533,1330 5.476,1332 0.244,1333 5.127,1334 -0.041,1340 38.342,1341 85.757,1342 200.205,1343 266.65,1344 302.755,1345 312.265,1346 320.265,1347 45.691,1348 8.347,1349 44.81,1350 44.81,1351 28,1352 13.103,1353 4.322,1354 3.459,1355 45.258,1356 118,1357 144,1358 0.186,1359 231.898,1360 405.34,1361 557.591,1362 47480,1364 22.131,1365 0.692,1366 0.582,1367 22.131,1368 18.622,1369 15.581,1370 0.433,1371 0.311,1372 11.087,1373 15.128,1374 10.749,1375 8.923,1376 15.581,1377 11.21,1378 14.172,1379 0.273,1380 0.172,1381 14.172,1382 8.929,1383 12.317,1384 0.169,1385 0.094,1386 12.317,1387 6.861,1388 10.665,1389 0.102,1390 0.051,1391 10.665,1392 5.357,1393 9.137,1394 0.064,1395 0.028,1396 9.137,1397 4.006,1398 0.282,1399 96.548,1400 0.202,1401 29.32,1402 0.543,1403 176,1404 427.094,1405 189.359,1406 418,1407 585.77,1408 394,1409 213,1410 442.951,1411 226.975,1412 452.105,1413 667.88,1414 425,1415 5.963}
{0 CHEMBL79012,1 1.326,2 28.292,3 7.555,4 57.081,5 200.784,6 5.852,7 0.245,8 4.754,9 4.901,10 4.087,11 4.21,12 5.667,13 4.139,14 5.356,15 5.594,16 4.328,17 4.58,18 6.152,19 4.467,20 5.609,21 5.865,22 4.392,23 4.765,24 6.399,25 4.609,26 5.765,27 6.055,28 4.31,29 4.802,30 6.514,31 4.61,32 5.743,33 6.045,34 4.251,35 4.785,36 6.427,37 4.576,38 5.729,39 6.034,40 4.203,41 4.746,42 6.406,43 4.532,44 5.668,45 5.97,46 4.188,47 4.691,48 6.359,49 4.482,50 5.651,51 5.955,52 4.188,53 4.642,54 6.351,55 4.451,56 0.124,57 1.535,58 28.573,59 11.066,60 17.891,61 16.212,62 0.577,63 2.365,64 50.258,65 16.921,66 39.463,67 25.758,68 0.504,69 2.857,70 62.708,71 22.561,72 57.691,73 33.647,74 0.723,75 3.068,76 71.602,77 24.495,78 82.339,79 37.133,80 0.589,81 3.015,82 68.95,83 24.573,84 64.9,85 37.229,86 0.724,87 2.895,88 67.948,89 24.091,90 67.236,91 36.284,92 0.689,93 2.742,94 64.081,95 22.99,96 65.258,97 34.371,98 0.627,99 2.641,100 63.285,101 21.327,102 62.775,103 32.457,104 69,105 60,106 0.191,107 0.394,108 0.603,109 0.699,110 0.733,111 0.733,112 3.893,113 1.122,114 -5.54,115 -5.42,116 -5.05,121 35.1,123 14,126 6,127 6,144 8,145 2,146 2,160 2,176 19,179 2,180 14,187 16,192 16,200 9,206 16,214 6,219 10,227 11,231 2,232 4,239 16,243 4,244 4,251 18,256 4,264 16,268 1,269 10,277 12,281 7340,282 32.225,283 32.225,284 32.225,285 32.225,286 32.225,287 30.517,288 40.113,289 20.06,290 32.968,291 24.038,292 24.038,293 24.038,294 24.038,295 24.038,296 21.279,297 44.713,298 9.469,299 24.964,300 5.507,301 4.095,302 2.65,303 1.978,304 1.741,305 1.741,306 4.567,313 2770,314 6.481,318 462.869,325 4.625,326 31.97,329 0.5,330 0.67,331 0.67,332 0.9,333 1,334 0.67,335 0.5,336 0.7,337 102,338 1358,339 4.048,340 3.7,341 5.872,342 3.68,343 2.711,344 3.639,345 1.94,346 7.931,347 2.623,348 4.048,349 3.7,350 5.872,351 3.679,352 2.71,353 3.639,354 1.94,355 7.931,356 2.623,357 3.897,358 2.986,359 5.552,360 3.666,361 2.696,362 3.063,363 0.916,364 7.567,365 2.618,366 3.897,367 2.986,368 5.552,369 3.666,370 2.696,371 3.063,372 0.916,373 7.567,374 2.618,375 3.561,376 2.766,377 5.226,378 3.308,379 2.38,380 2.804,381 0.86,382 6.602,383 2.204,384 3.561,385 2.766,386 5.226,387 3.308,388 2.38,389 2.804,390 0.86,391 6.602,392 2.204,393 3.165,394 2.275,395 4.761,396 2.956,397 1.997,398 2.215,399 0.555,400 5.338,401 1.918,402 3.165,403 2.274,404 4.761,405 2.952,406 1.996,407 2.215,408 0.555,409 5.338,410 1.903,411 2.931,412 2.233,413 4.151,414 2.893,415 1.896,416 1.929,417 0.172,418 4.039,419 1.878,420 2.804,421 2.218,422 4.132,423 2.73,424 1.747,425 1.797,426 0.172,427 3.934,428 1.71,429 2.673,430 1.794,431 3.814,432 2.636,433 1.659,434 1.672,436 3.523,437 1.614,438 2.556,439 1.678,440 3.632,441 2.491,442 1.496,443 1.542,445 3.114,446 1.484,447 2.5,448 1.676,449 3.565,450 2.307,451 1.31,452 1.5,454 2.89,455 1.297,456 2.5,457 1.366,458 3.414,459 2.102,460 1.119,461 1.5,463 2.429,464 1.094,465 2.449,466 1.17,467 3.414,468 2,469 1,470 1.402,472 2.275,473 1,474 22.933,475 0.478,476 0.876,477 0.018,478 45,479 0.938,480 16,481 0.333,482 29,483 0.604,484 60.711,485 1.265,486 58.067,487 0.509,488 35.901,489 0.748,490 8.477,491 0.177,492 14.733,493 0.307,494 0.16,496 0.201,501 0.797,502 1.694,503 1.067,504 1.465,505 0.589,506 1.317,507 1.188,508 1.057,509 1.118,510 1.012,511 0.648,512 1.036,513 0.992,514 1.21,515 1.095,516 1.186,517 0.967,518 1.154,519 1.143,520 1.02,521 1.074,522 1.007,523 1.445,524 1.029,525 0.785,526 1.018,527 0.991,528 1.024,529 1.005,530 1.025,531 0.84,532 0.955,533 0.981,534 0.979,535 1.042,536 0.994,537 0.73,538 0.985,539 0.953,540 1.027,541 1.017,542 1.018,543 1.074,544 0.966,545 0.94,546 0.929,547 0.97,548 0.922,549 8.5,550 0.273,551 4.222,552 2.125,553 1.804,554 0.972,555 0.65,556 0.493,557 0.337,558 0.251,559 61645,560 127537,561 1.939,562 57.9,563 16,564 38,568 4,569 8,572 1.832,573 1.823,574 4.727,575 -0.829,582 151.142,583 1.326,584 2.738,585 4.183,586 4.854,587 5.091,588 5.091,589 4.168,590 4.335,591 5.556,592 4.958,593 5592.41,594 9.801,595 146518,600 778.949,601 1.326,602 5.517,603 0.173,604 0.006,605 0.07,606 0.035,607 0.033,608 0.019,609 0.014,610 0.01,611 0.007,612 0.006,613 0.374,614 0.17,615 0.63,616 0.738,617 307.888,618 0.044,619 -0.298,620 0.049,621 -0.149,622 0.03,623 -0.066,624 -0.047,625 0.132,626 -0.035,627 0.056,628 0.038,629 0.022,630 -0.049,631 -0.116,632 -0.074,633 -0.113,634 0.006,635 -0.098,636 -0.103,637 -0.026,638 -0.076,639 -0.023,640 -0.115,641 -0.044,642 -0.032,643 -0.028,644 -0.031,645 -0.033,646 -0.056,647 -0.031,648 0.011,649 0.007,650 -0.019,651 -0.002,652 -0.054,653 -0.013,654 0.085,655 -0.015,656 0.007,657 -0.04,658 -0.005,659 -0.029,660 -0.039,661 -0.018,662 0.042,663 0.026,664 0.004,665 0.04,666 1.397,667 5.529,668 0.25,669 110.993,670 0.983,671 1.138,672 4.311,673 18.584,674 0.609,675 3.912,676 4.111,677 4.22,678 4.263,679 4.357,680 4.29,681 4.277,682 4.234,683 4.094,684 4.078,685 15.948,686 0.555,687 667.1,688 3.912,689 5.389,690 6.159,691 6.954,692 7.736,693 8.532,694 9.32,695 10.118,696 10.908,697 11.707,698 3.5,701 2,705 2,715 8,720 4,722 12,739 2,741 114,743 14,744 2,745 49,747 115,748 40,749 12,750 4,751 8,756 2,757 2,770 14,772 14,773 26,777 2,782 2,786 2,793 66,794 8,796 8,802 4,808 1,809 4,829 2,844 2,855 2,859 2,864 6,868 48,876 20,878 2,881 4,893 3.5,896 2,898 2,901 26.333,902 21.633,903 11.306,904 7.361,907 1.422,908 1.189,909 0.905,910 22.184,911 8.937,912 4.06,913 4.431,914 4.758,915 5.055,916 5.456,917 5.334,918 5.329,919 5.242,920 4.957,921 4.991,922 0.947,923 61,924 17.879,926 6.947,927 0.026,929 7.521,931 35.53,933 27.641,936 2.021,937 97,941 776.893,942 205.547,943 12.497,945 72.29,948 205.547,949 849.182,950 12.497,951 55.352,952 54.366,953 75.81,954 59.699,955 45.106,957 776.893,959 776.893,960 218.044,961 72.29,964 682.724,965 166.458,968 60.615,969 157.429,972 776.893,973 84.787,974 205.547,977 776.893,978 74.385,979 143.659,981 72.29,982 776.893,983 84.787,984 205.547,986 0.553,987 0.306,988 0.141,989 0.072,990 16,991 10,992 0.235,993 27,995 1,996 6.16,997 392.793,999 12,1000 212.078,1005 41.728,1006 25.519,1007 19.374,1009 84.787,1010 16.487,1015 4.349,1018 1067.23,1019 57,1024 25.058,1028 0.54,1031 112.108,1032 129.702,1034 0.194,1035 0.401,1036 0.612,1037 0.71,1038 0.745,1039 0.745,1040 5.252,1041 1.996,1042 6.075,1043 5.338,1044 4.796,1045 5.118,1046 3.013,1047 6.711,1048 4.727,1049 6.35,1050 1.896,1051 7.535,1052 5.338,1053 4.111,1054 4.635,1055 2.339,1056 7.273,1057 3.971,1058 7.573,1059 1.747,1060 9.09,1061 4.039,1062 6.232,1063 7.001,1064 3.737,1065 10.254,1066 6.092,1067 8.826,1068 1.659,1069 10.701,1070 3.934,1071 6.365,1072 7.332,1073 3.823,1074 11.622,1075 6.147,1076 10.112,1077 1.496,1078 12.348,1079 3.523,1080 7.897,1081 9.19,1082 4.841,1083 14.072,1084 7.685,1085 11.418,1086 1.31,1087 14.019,1088 3.114,1089 8.426,1090 9.891,1091 5.232,1092 15.782,1093 8.144,1094 12.741,1095 1.119,1096 15.707,1097 2.89,1098 9.69,1099 11.534,1100 6.078,1101 18.02,1102 9.41,1103 2.711,1104 1,1105 17.408,1106 2.429,1107 10.43,1108 12.434,1109 6.605,1110 19.895,1111 10.09,1112 2.71,1113 7.931,1114 19.117,1115 2.275,1116 11.56,1117 13.962,1118 7.363,1119 22.036,1120 11.215,1121 2.696,1122 7.931,1123 20.834,1124 3.639,1125 12.414,1126 14.983,1127 7.956,1128 23.994,1129 12.018,1130 2.696,1131 7.567,1132 22.557,1133 3.639,1134 13.475,1135 16.438,1136 8.669,1137 26.09,1138 13.068,1139 2.38,1140 7.567,1141 24.284,1142 3.063,1143 14.391,1144 17.542,1145 9.296,1146 28.092,1147 13.94,1148 2.38,1149 6.602,1150 26.016,1151 3.063,1152 15.418,1153 18.947,1154 9.985,1155 30.165,1156 14.95,1157 1.997,1158 6.602,1159 27.751,1160 2.804,1161 16.367,1162 20.108,1163 10.629,1164 32.192,1165 15.861,1166 60960,1167 87880,1168 31.781,1169 69.444,1170 68.458,1171 70.08,1172 70.513,1173 68.073,1174 68.007,1175 78.745,1176 17.779,1177 171.155,1178 65.661,1179 5.039,1180 5.7,1181 5.763,1182 4.705,1183 4.711,1184 6.639,1185 3.348,1186 13.662,1187 4.623,1188 29.921,1189 1.397,1190 1.43,1191 1.439,1192 1.389,1193 1.388,1194 1.607,1195 0.363,1196 3.493,1197 1.34,1198 3.98,1199 4.023,1200 3.899,1201 3.885,1202 7.429,1203 3.883,1204 3.921,1205 3.952,1206 3.855,1207 3.843,1208 7.425,1209 3.842,1210 3.849,1211 3.901,1212 3.735,1213 3.71,1214 4.882,1215 3.703,1216 3.793,1217 3.849,1218 3.681,1219 3.633,1220 4.853,1221 3.631,1222 3.736,1223 3.8,1224 3.58,1225 3.607,1226 4.416,1227 3.591,1228 3.672,1229 3.744,1230 3.532,1231 3.493,1232 4.408,1233 3.491,1234 3.606,1235 3.672,1236 3.479,1237 3.4,1238 4.288,1239 3.41,1240 3.512,1241 3.586,1242 3.349,1243 3.33,1244 4.219,1245 3.326,1246 0.083,1247 0.076,1248 0.12,1249 0.075,1250 0.055,1251 4.048,1252 0.074,1253 3.7,1254 0.04,1255 5.872,1256 0.162,1257 3.68,1258 0.054,1259 2.711,1260 3.639,1261 1.94,1262 7.931,1263 2.623,1264 1.912,1265 1.885,1266 2.057,1267 2.027,1268 1.411,1269 2.036,1270 1.912,1271 1.885,1272 2.046,1273 2.026,1274 1.357,1275 2.034,1276 1.818,1277 1.758,1278 2.041,1279 1.993,1280 1.354,1281 2.012,1282 1.774,1283 1.717,1284 1.99,1285 1.957,1286 1.229,1287 1.967,1288 1.75,1289 1.69,1290 1.981,1291 1.913,1292 1.176,1293 1.94,1294 1.655,1295 1.585,1296 1.903,1297 1.862,1298 1.172,1299 1.879,1300 1.561,1301 1.495,1302 1.799,1303 1.796,1304 1.024,1305 1.802,1306 1.5,1307 1.429,1308 1.764,1309 1.721,1310 0.995,1311 1.742,1312 4.595,1314 5.826,1316 7.219,1318 8.684,1320 10.188,1322 11.573,1328 20.029,1330 10.463,1333 8.501,1340 63.276,1341 151.142,1342 312.167,1343 476.871,1344 553.401,1345 580.42,1346 580.42,1347 185.735,1348 7.515,1349 65.56,1350 65.56,1351 12,1352 12.307,1353 3.907,1354 3.17,1355 152.626,1356 470,1357 424,1358 0.146,1359 399.42,1360 712.08,1361 966.346,1362 28741,1364 34.987,1365 0.729,1366 0.65,1367 34.987,1368 31.183,1369 23.21,1370 0.474,1371 0.374,1372 18.074,1373 22.323,1374 17.392,1375 14.72,1376 23.21,1377 18.323,1378 19.156,1379 0.319,1380 0.226,1381 19.156,1382 13.545,1383 14.783,1384 0.221,1385 0.137,1386 14.783,1387 9.173,1388 10.174,1389 0.145,1390 0.085,1391 10.174,1392 5.949,1393 7.411,1394 0.096,1395 0.051,1396 7.411,1397 3.897,1398 0.256,1399 145.358,1400 0.177,1401 44.814,1402 0.342,1403 218,1404 559.523,1405 235.846,1406 531.156,1407 700.5,1408 498,1409 236,1410 476.814,1411 254.628,1412 492.359,1413 691.04,1414 452,1415 5.24}
{0 CHEMBL79466,1 1.742,2 5.467,3 -0.056,4 0.003,5 51.648,6 8.878,7 0.375,8 3.276,9 3.373,10 2.963,11 2.811,12 4.613,13 2.842,14 3.748,15 3.87,16 3.35,17 3.172,18 5.162,19 3.196,20 3.974,21 4.109,22 3.41,23 3.228,24 5.553,25 3.249,26 3.925,27 4.095,28 3.226,29 3.116,30 5.327,31 3.123,32 3.796,33 3.931,34 3.097,35 2.809,36 5.603,37 2.865,38 3.49,39 3.675,40 2.489,41 2.37,42 5.272,43 2.352,44 2.941,45 3.192,46 1.524,47 1.746,48 4.286,49 1.652,50 2.172,51 2.507,52 0.341,53 1.012,54 2.996,55 0.785,56 0.106,57 0.344,58 3.106,59 1.813,60 20.94,61 1.866,62 0.235,63 0.526,64 5.967,65 2.989,66 38.721,67 3.352,68 0.473,69 0.589,70 9.097,71 3.728,72 88.103,73 3.955,74 0.343,75 0.543,76 9.538,77 3.694,78 63.175,79 4.153,80 0.464,81 0.425,82 8.516,83 2.964,84 100.058,85 2.93,86 0.402,87 0.296,88 7.412,89 2.184,90 87.141,91 2.444,92 0.201,93 0.166,94 4.951,95 1.235,96 39.811,97 1.519,98 0.082,99 0.069,100 2.727,101 0.637,102 15.81,103 1.021,104 19,105 23,106 0.355,107 0.703,108 0.798,109 0.869,110 0.886,111 0.886,112 2.798,113 0.815,114 -1.55,115 -1.63,116 -1.66,121 43.5,127 1,144 4,145 1,146 1,159 1,160 2,165 1,166 1,167 1,176 4,179 1,180 3,182 1,183 1,187 4,191 3,192 4,194 1,195 1,200 2,206 5,218 1,219 5,221 1,222 1,224 2,229 2,231 1,232 2,234 1,235 1,237 2,241 2,244 1,249 1,253 1,281 196,282 9.759,283 9.759,284 9.759,285 9.759,286 9.759,287 8.666,288 10.418,289 5.686,290 9.783,291 7.863,292 7.863,293 7.863,294 7.863,295 7.863,296 6.089,297 13.029,298 2.668,299 7.882,300 2.781,301 1.076,302 0.609,303 0.261,304 0.174,305 0.174,306 3.435,311 1,312 1,313 167,314 2.55,317 27.524,318 33.889,321 52.214,325 0.898,326 27.277,329 1,330 1,331 1,332 0.4,334 1,335 1,336 0.77,337 34,338 82,339 4.586,340 3.988,341 6.971,342 4.295,343 3.307,344 4.13,345 1.942,346 11.738,347 3.269,348 3.636,349 3.524,350 5.661,351 3.321,352 2.321,353 2.976,354 1.195,355 7.205,356 2.309,357 3.567,358 2.957,359 5.539,360 3.158,361 2.129,362 2.758,363 0.331,364 6.608,365 2.177,366 3.217,367 2.748,368 4.587,369 2.867,370 1.86,371 2.344,373 4.797,374 1.854,375 2.842,376 1.858,377 3.654,378 2.361,379 1.354,380 1.97,382 2.957,383 1.36,384 2.423,385 1.326,386 3.638,387 1.925,388 0.917,389 1.308,391 2.274,392 0.92,393 1.909,394 1.163,395 2.99,396 1.365,397 0.28,398 0.412,400 0.655,401 0.299,402 0.939,403 0.512,404 2.395,405 0.553,406 -0.461,407 -0.594,409 -1.137,410 -0.461,411 0.663,412 -0.018,413 2.197,414 0.202,415 -0.823,416 -1.064,418 -2,419 -0.827,420 0.528,421 -0.194,422 2,423 0.06,424 -1,425 -1.325,427 -2.018,428 -0.985,429 0.29,430 -0.826,431 1.471,432 -0.009,433 -1,434 -1.503,436 -2.558,437 -1.067,438 0.068,439 -0.874,440 1.297,441 -0.279,442 -1.364,443 -2,445 -3.62,446 -1.489,447 -0.5,448 -1.291,449 1.178,450 -0.719,451 -1.72,452 -2,453 -0.245,454 -5.174,455 -1.709,456 -0.521,457 -1.581,458 1.101,459 -0.931,460 -1.873,461 -2.187,462 -0.668,463 -5.482,464 -1.769,465 -0.762,466 -1.813,467 1,468 -0.969,469 -1.928,470 -2.223,471 -1.089,472 -7.04,473 -1.88,474 6.8,475 0.453,476 0.477,477 0.032,478 20.75,479 1.383,480 11,481 0.733,482 9.75,483 0.65,484 7.887,485 0.526,486 16,487 0.696,488 14.148,489 0.943,490 4.39,491 0.293,492 2.72,493 0.181,494 0.206,496 0.426,501 0.669,502 1.184,503 0.648,504 0.935,505 0.609,506 0.797,507 0.572,508 1.122,509 0.665,510 0.991,511 0.551,512 0.886,513 0.888,514 0.853,515 0.952,516 0.939,517 0.981,518 0.964,519 1.027,520 1.042,521 0.969,522 1.086,523 0.95,524 1.018,525 1.406,526 1.157,527 1.18,528 1.187,529 1.43,530 1.14,531 1.305,532 0.983,533 1.374,534 1.042,535 1.322,536 1.206,537 1.471,538 0.806,539 1.509,540 0.851,541 1.474,542 1.108,543 0.756,544 0.446,545 1.095,546 0.602,547 0.753,548 0.869,549 3,551 2,552 1.986,553 0.782,554 0.615,555 0.082,556 0.056,559 1337,560 5447,561 1.955,562 34.8,564 6,567 2,572 1.539,573 1.765,574 2.51,575 0.561,582 40.068,583 1.742,584 3.447,585 3.915,586 4.263,587 4.35,588 4.35,589 1.966,590 3.507,591 3.877,592 2.59,593 271.946,594 6.539,595 2210.12,597 1,600 104.042,601 1.566,602 3.796,603 0.188,605 0.087,606 0.086,607 0.041,608 0.041,609 0.012,610 0.028,613 0.483,614 0.67,615 1,616 1.29,617 56.812,618 -0.105,619 -0.03,620 -0.011,621 0.044,622 -0.087,623 0.06,624 0.094,625 -0.028,626 0.08,627 -0.021,628 0.054,629 0.011,630 0.077,631 0.151,632 -0.071,633 0.015,634 -0.024,635 -0.061,636 -0.148,637 -0.102,638 -0.014,639 -0.114,640 -0.081,641 -0.03,642 -0.103,643 -0.28,644 -0.159,645 -0.26,646 -0.051,647 -0.242,648 -0.024,649 -0.155,650 -0.225,651 -0.118,652 0.018,653 -0.224,654 -0.35,656 -0.241,657 0.069,658 -0.341,659 -0.016,660 0.027,661 0.275,662 0.367,663 0.384,664 -0.027,665 0.479,666 2.366,667 4.466,668 0.6,669 7.938,670 1.036,671 1.125,672 0.322,673 0.104,674 0.681,675 2.833,676 3.178,677 3.466,678 3.761,679 3.932,680 3.829,681 3.761,682 3.584,683 3.045,684 2.565,685 3.578,686 0.686,687 204.2,688 2.833,689 4.369,690 5.231,691 6.133,692 7.027,693 7.937,694 8.841,695 9.753,696 10.661,697 11.573,698 8.7,705 2,715 4,720 2,722 6,727 1,741 23,743 9,744 1,745 16,747 24,748 10,749 6,750 2,751 4,752 2,756 2,757 3,772 9,773 1,777 3,782 3,786 3,790 1,793 8,794 5,795 2,796 5,802 2,808 0.5,809 3,828 1,829 1,832 1,842 1,844 1,859 1,868 15,869 1,876 1,881 1,893 13,896 3,901 8.5,902 4.117,903 3.306,904 1.221,907 1.559,908 1.267,909 0.971,910 2.194,911 7.396,912 3.135,913 3.676,914 4.201,915 4.708,916 5.193,917 5.263,918 5.478,919 5.563,920 5.29,921 4.925,922 0.75,923 23,924 5.553,925 -0.001,926 2.471,927 0.026,929 8.489,931 9.859,933 7.966,936 2.989,937 44.833,938 0.001,941 70.627,942 60.496,943 36.022,945 75.435,948 60.496,949 146.061,950 36.022,952 38.127,953 37.905,954 89.978,955 5.942,957 70.627,959 70.627,960 96.517,961 75.435,964 70.627,965 75.435,968 38.127,969 58.39,972 70.627,973 111.456,974 60.496,977 70.627,978 22.591,979 41.029,981 108.332,982 70.627,983 111.456,984 60.496,986 0.587,987 0.344,988 0.199,989 0.117,990 12,991 6,992 0.083,993 2,994 1,995 1.222,996 2.601,997 100.041,998 0.222,999 9,1000 58.603,1005 9.714,1006 3.387,1007 1.479,1009 111.456,1010 6.522,1015 0.773,1017 32.897,1018 242.579,1019 22,1024 33.646,1028 -1.935,1031 23.836,1032 25.87,1034 0.385,1035 0.762,1036 0.865,1037 0.942,1038 0.962,1039 0.962,1040 4.376,1041 -0.461,1042 5.252,1043 0.655,1044 3.85,1045 4.357,1046 2.318,1047 6.129,1048 3.845,1049 5.592,1050 -0.823,1051 6.86,1052 -1.137,1053 3.611,1054 4.248,1055 1.668,1056 7.186,1057 3.609,1058 6.91,1059 -1,1060 8.574,1061 -2,1062 5.493,1063 6.471,1064 3.157,1065 10.349,1066 5.466,1067 8.264,1068 -1,1069 10.349,1070 -2.018,1071 6.066,1072 7.151,1073 3.117,1074 12.262,1075 6.036,1076 9.653,1077 -1.364,1078 12.164,1079 -2.558,1080 7.495,1081 8.913,1082 4.237,1083 14.967,1084 7.44,1085 11.068,1086 -1.72,1087 14.005,1088 -3.62,1089 8.435,1090 9.966,1091 4.521,1092 17.223,1093 8.372,1094 12.505,1095 -1.873,1096 15.868,1097 -5.174,1098 9.705,1099 11.547,1100 5.441,1101 19.772,1102 9.622,1103 3.307,1104 -1.928,1105 17.746,1106 -5.482,1107 10.801,1108 12.783,1109 5.898,1110 22.159,1111 10.707,1112 2.321,1113 11.738,1114 19.636,1115 -7.04,1116 12.018,1117 14.282,1118 6.705,1119 24.653,1120 11.908,1121 2.129,1122 7.205,1123 21.536,1124 4.13,1125 13.176,1126 15.609,1127 7.255,1128 27.089,1129 13.054,1130 1.86,1131 6.608,1132 23.444,1133 2.976,1134 14.377,1135 17.069,1136 8,1137 29.563,1138 14.241,1139 1.354,1140 4.797,1141 25.358,1142 2.758,1143 15.558,1144 18.44,1145 8.6,1146 32.016,1147 15.41,1148 0.917,1149 2.957,1150 27.278,1151 2.344,1152 16.755,1153 19.88,1154 9.31,1155 34.482,1156 16.594,1157 0.28,1158 2.274,1159 29.202,1160 1.97,1161 17.945,1162 21.274,1163 9.938,1164 36.942,1165 17.772,1166 1446,1167 2968,1168 10.057,1169 15.659,1170 25.111,1171 26.833,1172 25.83,1173 24.409,1174 24.337,1175 31.794,1176 6.936,1177 72.467,1178 24.373,1179 5.472,1180 5.988,1181 6.65,1182 5.295,1183 5.307,1184 7.13,1185 3.409,1186 18.942,1187 5.269,1188 8.435,1189 1.569,1190 1.677,1191 1.614,1192 1.526,1193 1.521,1194 1.987,1195 0.434,1196 4.529,1197 1.523,1198 4.017,1199 4.038,1200 3.985,1201 3.918,1202 7.498,1203 3.929,1204 3.579,1205 3.625,1206 3.498,1207 3.368,1208 7.436,1209 3.395,1210 3.383,1211 3.394,1212 3.334,1213 3.154,1214 7.352,1215 3.195,1216 2.94,1217 3.007,1218 2.841,1219 2.757,1220 4.884,1221 2.761,1222 2.676,1223 2.79,1224 2.546,1225 2.418,1226 4.708,1227 2.443,1228 2.605,1229 2.613,1230 2.463,1231 2.328,1232 3.879,1233 2.353,1234 2.354,1235 2.368,1236 2.197,1237 1.898,1238 3.615,1239 1.981,1240 2.124,1241 2.158,1242 1.929,1243 1.572,1244 3.256,1245 1.647,1246 0.287,1247 0.249,1248 0.436,1249 0.268,1250 0.207,1251 4.586,1252 0.258,1253 3.988,1254 0.121,1255 6.971,1256 0.734,1257 4.295,1258 0.204,1259 3.307,1260 4.13,1261 1.942,1262 11.738,1263 3.269,1264 1.882,1265 1.859,1266 1.985,1267 1.969,1268 1.097,1269 1.974,1270 1.543,1271 1.509,1272 1.695,1273 1.808,1274 0.828,1275 1.772,1276 1.252,1277 1.243,1278 1.342,1279 1.54,1280 0.298,1281 1.474,1282 0.909,1283 0.857,1284 1.148,1285 1.193,1286 0.151,1287 1.186,1288 0.78,1289 0.723,1290 1.069,1291 0.98,1293 1.017,1294 0.537,1295 0.408,1296 0.887,1297 0.884,1299 0.89,1302 0.319,1303 0.454,1305 0.39,1308 0.3,1309 0.43,1311 0.342,1312 3.497,1314 4.828,1315 2.398,1316 6.361,1317 4.949,1318 7.989,1319 7.195,1320 9.671,1326 4.993,1328 -0.262,1333 1.097,1340 15.768,1341 40.068,1342 79.287,1343 90.042,1344 98.042,1345 100.042,1346 100.042,1347 32.237,1348 5.838,1349 82.16,1350 82.16,1351 11,1352 12.087,1353 3.322,1354 2.807,1355 23.336,1356 32,1357 29,1358 0.399,1359 99.92,1360 178.47,1361 235.565,1362 1840,1364 11,1365 0.733,1366 0.518,1367 11,1368 7.766,1369 7.109,1370 0.444,1371 0.272,1372 4.268,1373 6.779,1374 4.2,1375 3.459,1376 7.109,1377 4.345,1378 6.624,1379 0.288,1380 0.139,1381 6.624,1382 3.204,1383 5.348,1384 0.173,1385 0.071,1386 5.348,1387 2.193,1388 4.476,1389 0.107,1390 0.037,1391 4.476,1392 1.561,1393 3.689,1394 0.074,1395 0.02,1396 3.689,1397 1.002,1398 0.57,1399 45.213,1400 0.315,1401 14.651,1402 1.272,1403 78,1404 302.164,1405 88.307,1406 286.077,1407 370.62,1408 262,1409 93,1410 256.275,1411 103.392,1412 257.264,1413 377.6,1414 241,1415 4}
{0 CHEMBL80221,1 1.455,2 9.577,3 3.934,4 15.476,5 103.009,6 6.892,7 0.414,8 4.025,9 4.151,10 3.539,11 3.548,12 5.041,13 3.518,14 4.603,15 4.795,16 3.945,17 3.986,18 5.591,19 3.937,20 4.859,21 5.051,22 4.026,23 4.188,24 5.757,25 4.102,26 5.057,27 5.308,28 3.958,29 4.235,30 5.89,31 4.116,32 4.99,33 5.225,34 3.942,35 4.228,36 5.848,37 4.097,38 5.032,39 5.296,40 3.896,41 4.198,42 5.848,43 4.061,44 4.895,45 5.128,46 3.79,47 4.096,48 5.807,49 3.956,50 4.856,51 5.13,52 3.478,53 3.868,54 5.762,55 3.7,56 0.032,57 0.747,58 11.558,59 4.727,60 8.62,61 6.551,62 0.407,63 1.25,64 22.239,65 7.796,66 33.963,67 11.242,68 0.174,69 1.557,70 28.394,71 10.898,72 27.496,73 15.38,74 0.411,75 1.77,76 36.506,77 12.201,78 45.631,79 17.903,80 0.26,81 1.668,82 33.172,83 12.796,84 35.362,85 18.319,86 0.38,87 1.638,88 35.701,89 13.203,90 42.586,91 18.893,92 0.274,93 1.481,94 30.343,95 11.742,96 36.757,97 16.575,98 0.432,99 1.309,100 30.75,101 10.215,102 52.957,103 14.758,104 20,105 43,106 0.245,107 0.573,108 0.768,109 0.854,110 0.863,111 0.863,112 3.306,113 0.939,114 -4.26,115 -4.2,116 -3.97,121 41.2,122 1,123 1,125 1,126 2,127 2,130 1,144 8,145 2,146 2,161 1,176 11,179 2,180 8,183 2,187 12,192 10,200 8,206 8,211 2,214 6,218 1,219 8,224 2,227 12,231 1,232 3,237 1,239 14,243 1,244 4,247 1,249 2,251 11,255 1,256 2,259 1,264 4,269 3,274 1,281 920,282 17.557,283 17.557,284 17.557,285 17.557,286 17.557,287 15.99,288 25.345,289 10.148,290 17.937,291 14.247,292 14.247,293 14.247,294 14.247,295 14.247,296 11.831,297 34.993,298 4.759,299 14.819,300 4.217,301 2.275,302 1.118,303 0.608,304 0.554,305 0.554,306 3.999,310 1,311 1,312 1,313 538,314 3.536,317 91.329,318 124.46,320 74.227,321 82.204,324 112.225,325 1.698,326 17.268,328 1,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 55.5,338 249,339 4.839,340 3.983,341 8.013,342 4.72,343 3.744,344 4.211,345 2.186,346 15.366,347 3.661,348 3.981,349 3.658,350 6.289,351 3.656,352 2.696,353 3.453,354 1.013,355 9.221,356 2.598,357 3.924,358 2.949,359 6.211,360 3.594,361 2.635,362 3.315,363 0.763,364 8.691,365 2.524,366 3.668,367 2.818,368 5.451,369 3.331,370 2.381,371 2.88,372 0.366,373 7.158,374 2.249,375 3.474,376 2.561,377 5.331,378 3.271,379 2.317,380 2.609,381 0.191,382 6.862,383 2.181,384 3.297,385 2.458,386 4.853,387 2.951,388 1.988,389 2.428,391 5.298,392 1.897,393 2.917,394 1.777,395 4.68,396 2.533,397 1.561,398 2.074,400 4.488,401 1.516,402 2.608,403 1.507,404 4.214,405 2.345,406 1.372,407 1.625,409 3.132,410 1.329,411 2.517,412 1.171,413 3.91,414 2.127,415 1.133,416 1.522,418 3.023,419 1.125,420 2.5,421 1.106,422 3.549,423 2,424 1,425 1.5,427 2.136,428 1,429 1.823,430 1,431 3.247,432 1.723,433 0.757,434 0.797,436 1.983,437 0.729,438 1.512,439 0.921,440 3.13,441 1.31,442 0.397,443 0.423,445 0.621,446 0.358,447 1.295,448 0.673,449 2.938,450 0.959,451 -0.011,452 -0.012,454 -0.026,455 -0.01,456 1.063,457 0.232,458 2.7,459 0.818,460 -0.147,461 -0.17,463 -0.344,464 -0.139,465 0.673,466 -0.115,467 2.549,468 0.411,469 -0.562,470 -0.659,472 -1.423,473 -0.542,474 12.367,475 0.476,476 0.733,477 0.028,478 31.75,479 1.221,480 14.5,481 0.558,482 17.25,483 0.663,484 23.735,485 0.913,486 28.433,487 0.558,488 23.519,489 0.905,490 6.223,491 0.239,492 6.302,493 0.242,494 0.148,495 0.04,496 0.307,501 0.812,502 1.438,503 0.842,504 1.17,505 0.62,506 1.03,507 0.756,508 0.859,509 0.851,510 0.792,511 0.435,512 0.809,513 0.952,514 1.345,515 1.046,516 1.228,517 0.686,518 1.164,519 1.181,520 0.92,521 1.082,522 0.904,523 0.888,524 0.958,525 0.706,526 1.129,527 1.008,528 1.16,529 0.731,530 1.129,531 0.883,532 0.845,533 0.881,534 0.88,535 0.711,536 0.886,537 0.805,538 1.172,539 1.074,540 1.244,541 0.852,542 1.21,543 1.264,544 0.932,545 1.131,546 1.01,547 1.665,548 1.053,549 6,550 0.054,551 3.556,552 3.083,553 1.602,554 1.205,555 0.776,556 0.482,557 0.275,558 0.115,559 7156,560 16818,561 2.092,562 49,563 3,564 18,565 1,567 1,569 2,572 1.697,573 1.938,574 3.176,575 -0.37,577 1,582 74.204,583 1.455,584 3.398,585 4.554,586 5.064,587 5.118,588 5.118,589 2.738,590 4.393,591 4.662,592 3.348,593 1088.11,594 8.121,595 12919.8,597 1,599 1,600 289.294,601 1.619,602 4.616,603 0.207,604 0.006,605 0.083,606 0.069,607 0.039,608 0.03,609 0.02,610 0.015,611 0.013,612 0.01,613 0.49,614 0.33,615 1,616 1.139,617 124.311,618 -0.003,619 -0.221,620 0.075,621 -0.08,622 -0.035,623 -0.007,624 0.254,625 0.304,626 0.12,627 0.204,628 0.213,629 0.16,630 -0.062,631 -0.266,632 -0.101,633 -0.191,634 -0.001,635 -0.16,636 -0.171,637 0.102,638 -0.095,639 0.053,640 -0.05,641 0.003,642 0.036,643 -0.127,644 -0.065,645 -0.14,647 -0.119,648 0.012,649 0.088,650 0.092,651 0.117,652 -0.02,653 0.114,654 0.055,655 -0.194,656 -0.121,657 -0.224,658 -0.02,659 -0.204,660 -0.056,661 -0.017,662 -0.116,663 -0.07,664 -0.155,665 -0.099,666 2.102,667 4.595,668 0.692,669 23.982,670 0.994,671 1.127,672 3.034,673 9.203,674 0.653,675 3.401,676 3.784,677 4.127,678 4.489,679 4.762,680 4.92,681 5.159,682 5.303,683 5.357,684 5.389,685 5.59,686 0.614,687 351.49,688 3.401,689 4.977,690 5.866,691 6.797,692 7.719,693 8.666,694 9.606,695 10.563,696 11.513,697 12.476,698 5.9,701 1,704 1,705 1,715 8,720 4,722 12,736 1,737 1,741 51,743 13,744 2,745 29,747 54,748 21,749 12,750 4,751 8,756 4,757 7,763 1,764 1,766 1,767 1,770 1,772 13,773 8,777 1,782 1,786 1,790 1,793 25,794 5,795 1,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 3,868 26,876 3,877 1,878 1,880 1,881 2,882 1,893 3.9,896 1,898 1,901 13.417,902 9.983,903 5.653,904 3.035,907 2.178,908 1.284,909 0.967,910 4.412,911 9.855,912 3.611,913 4.174,914 4.7,915 5.252,916 5.776,917 5.996,918 6.42,919 6.776,920 7.017,921 7.237,922 0.857,923 45,924 9.627,926 4.115,927 0.026,929 7.593,931 18.82,933 16.001,936 2.093,937 54.417,939 1,940 1,941 282.506,942 129.308,943 24.259,945 36.145,948 129.308,949 318.651,950 24.259,951 25.618,952 24.757,953 75.81,954 25.145,955 31.62,956 18.534,957 270.735,959 282.506,960 153.567,961 36.145,964 258.964,965 59.687,968 36.706,969 116.861,972 282.506,973 60.404,974 129.308,977 282.506,978 27.88,979 107.677,980 18.011,981 36.145,982 282.506,983 60.404,984 129.308,986 0.589,987 0.354,988 0.196,989 0.112,990 23,991 10,992 0.074,993 4,994 2,995 1.222,996 3.659,997 235.743,998 0.222,999 18,1000 118.211,1005 17.379,1006 6.6,1007 2.908,1009 60.404,1010 16.594,1015 4.397,1017 18.011,1018 472.218,1019 36,1024 11.595,1028 -0.436,1031 50.68,1032 57.481,1034 0.256,1035 0.599,1036 0.803,1037 0.893,1038 0.902,1039 0.902,1040 4.898,1041 1.372,1042 5.905,1043 4.488,1044 4.466,1045 4.86,1046 2.511,1047 6.849,1048 4.391,1049 6.108,1050 1.133,1051 7.549,1052 3.132,1053 4.29,1054 4.691,1055 1.905,1056 8.233,1057 4.19,1058 7.441,1059 1,1060 9.315,1061 3.023,1062 6.213,1063 6.963,1064 3.546,1065 11.414,1066 6.076,1067 8.811,1068 0.757,1069 11.161,1070 2.136,1071 6.899,1072 7.57,1073 3.617,1074 13.712,1075 6.748,1076 10.219,1077 0.397,1078 13.064,1079 1.983,1080 8.363,1081 9.376,1082 4.916,1083 16.544,1084 8.188,1085 11.657,1086 -0.011,1087 15.01,1088 0.621,1089 9.428,1090 10.355,1091 5.294,1092 19.149,1093 9.241,1094 13.119,1095 -0.147,1096 16.987,1097 -0.026,1098 10.764,1099 11.969,1100 6.389,1101 21.904,1102 10.557,1103 3.744,1104 -0.562,1105 18.988,1106 -0.344,1107 11.985,1108 13.148,1109 6.931,1110 24.599,1111 11.763,1112 2.696,1113 15.366,1114 21.009,1115 -1.423,1116 13.295,1117 14.668,1118 7.902,1119 27.336,1120 13.054,1121 2.635,1122 9.221,1123 23.043,1124 4.211,1125 14.575,1126 15.96,1127 8.539,1128 30.058,1129 14.317,1130 2.381,1131 8.691,1132 25.089,1133 3.453,1134 15.885,1135 17.435,1136 9.436,1137 32.791,1138 15.607,1139 2.317,1140 7.158,1141 27.143,1142 3.315,1143 17.189,1144 18.79,1145 10.13,1146 35.52,1147 16.89,1148 1.988,1149 6.862,1150 29.203,1151 2.88,1152 18.502,1153 20.243,1154 10.981,1155 38.252,1156 18.183,1157 1.561,1158 5.298,1159 31.268,1160 2.609,1161 19.815,1162 21.633,1163 11.71,1164 40.983,1165 19.475,1166 6945,1167 10742,1168 19.186,1169 33.302,1170 44.433,1171 45.384,1172 46.582,1173 43.948,1174 43.966,1175 53.673,1176 9.039,1177 135.958,1178 42.335,1179 5.81,1180 5.983,1181 7.815,1182 5.785,1183 5.744,1184 7.211,1185 3.889,1186 23.914,1187 5.661,1188 12.824,1189 1.532,1190 1.565,1191 1.606,1192 1.515,1193 1.516,1194 1.851,1195 0.312,1196 4.688,1197 1.46,1198 4.103,1199 4.141,1200 4.051,1201 4.008,1202 7.435,1203 4.014,1204 3.881,1205 3.913,1206 3.808,1207 3.826,1208 4.844,1209 3.818,1210 3.71,1211 3.751,1212 3.629,1213 3.564,1214 4.736,1215 3.568,1216 3.517,1217 3.583,1218 3.422,1219 3.211,1220 4.438,1221 3.255,1222 3.266,1223 3.346,1224 3.133,1225 3.092,1226 4.224,1227 3.091,1228 3.243,1229 3.334,1230 3.041,1231 3.036,1232 4.025,1233 3.024,1234 2.989,1235 3.094,1236 2.809,1237 2.788,1238 3.885,1239 2.774,1240 2.973,1241 3.023,1242 2.705,1243 2.742,1244 3.796,1245 2.728,1246 0.167,1247 0.137,1248 0.276,1249 0.163,1250 0.129,1251 4.839,1252 0.145,1253 3.983,1254 0.075,1255 8.013,1256 0.53,1257 4.72,1258 0.126,1259 3.744,1260 4.211,1261 2.186,1262 15.366,1263 3.661,1264 1.928,1265 1.902,1266 2.046,1267 2.023,1268 1.31,1269 2.03,1270 1.885,1271 1.862,1272 1.998,1273 1.968,1274 1.192,1275 1.978,1276 1.615,1277 1.565,1278 1.81,1279 1.803,1280 1.02,1281 1.804,1282 1.532,1283 1.45,1284 1.781,1285 1.771,1286 0.995,1287 1.78,1288 1.399,1289 1.326,1290 1.688,1291 1.71,1292 0.683,1293 1.708,1294 1.209,1295 1.137,1296 1.483,1297 1.429,1298 0.652,1299 1.451,1300 1.015,1301 0.9,1302 1.453,1303 1.291,1304 0.563,1305 1.354,1306 0.902,1307 0.861,1308 1.181,1309 1.207,1310 0.361,1311 1.176,1312 4.078,1314 5.442,1315 3.045,1316 7.011,1317 5.638,1318 8.681,1319 7.928,1320 10.414,1322 6.094,1328 3.024,1329 2.506,1330 5.38,1332 0.313,1333 4.92,1334 0.029,1340 31.289,1341 74.204,1342 173.294,1343 232.274,1344 258.274,1345 261.029,1346 261.029,1347 37.056,1348 7.677,1349 44.81,1350 44.81,1351 22,1352 12.96,1353 3.807,1354 3,1355 37.783,1356 87,1357 100,1358 0.225,1359 190.52,1360 332.72,1361 456.628,1362 20365,1364 18.311,1365 0.704,1366 0.597,1367 18.311,1368 15.528,1369 12.525,1370 0.432,1371 0.313,1372 8.949,1373 12.062,1374 8.621,1375 7.18,1376 12.525,1377 9.077,1378 11.65,1379 0.271,1380 0.173,1381 11.65,1382 7.454,1383 10.146,1384 0.166,1385 0.095,1386 10.146,1387 5.77,1388 8.776,1389 0.1,1390 0.051,1391 8.776,1392 4.53,1393 7.378,1394 0.064,1395 0.028,1396 7.378,1397 3.296,1398 0.339,1399 78.299,1400 0.228,1401 24.531,1402 0.66,1403 144,1404 363.094,1405 157.025,1406 351.093,1407 489.18,1408 330,1409 176,1410 369.599,1411 189.475,1412 376.266,1413 557.04,1414 352,1415 6.794}
{0 CHEMBL80247,1 1.498,2 9.708,3 3.391,4 11.5,5 92.879,6 7.187,7 0.444,8 3.916,9 4.038,10 3.464,11 3.448,12 4.965,13 3.429,14 4.477,15 4.649,16 3.878,17 3.886,18 5.527,19 3.845,20 4.751,21 4.949,22 3.915,23 4.051,24 5.69,25 3.973,26 4.864,27 5.111,28 3.786,29 4.015,30 5.795,31 3.903,32 4.77,33 5.014,34 3.611,35 3.833,36 5.767,37 3.713,38 4.605,39 4.884,40 3.394,41 3.561,42 5.525,43 3.455,44 4.162,45 4.349,46 3.346,47 3.388,48 5.271,49 3.34,50 4.191,51 4.394,52 3.277,53 3.407,54 5.359,55 3.335,56 0.024,57 0.668,58 9.73,59 4.069,60 7.321,61 5.47,62 0.337,63 1.112,64 18.592,65 6.932,66 31.467,67 9.662,68 0.179,69 1.389,70 25.096,71 9.317,72 26.392,73 12.994,74 0.265,75 1.46,76 29.694,77 10.056,78 38.381,79 14.531,80 0.308,81 1.217,82 27.731,83 9.633,84 48.613,85 13.359,86 0.409,87 0.948,88 25.079,89 7.941,90 46.819,91 11.019,92 0.262,93 0.703,94 14.576,95 5.025,96 26.121,97 6.556,98 0.278,99 0.753,100 14.963,101 4.851,102 38.856,103 6.618,104 10,105 40,106 0.259,107 0.604,108 0.769,109 0.846,110 0.867,111 0.867,112 3.229,113 0.914,114 -4.08,115 -4.03,116 -3.81,121 42.2,122 1,123 1,125 1,126 1,127 1,130 1,144 8,145 1,146 3,161 1,176 9,179 1,180 5,183 3,185 4,187 10,192 6,197 4,200 7,206 7,211 5,214 3,218 1,219 8,224 3,227 2,232 3,235 1,237 1,239 4,243 1,244 2,247 1,249 2,251 8,259 1,260 1,264 8,269 2,277 8,281 748,282 16.187,283 16.187,284 16.187,285 16.187,286 16.187,287 14.62,288 24.347,289 9.381,290 16.51,291 13.322,292 13.322,293 13.322,294 13.322,295 13.322,296 10.938,297 36.053,298 4.444,299 13.842,300 3.993,301 2.001,302 1.045,303 0.6,304 0.478,305 0.478,306 3.924,310 1,311 1,312 1,313 519,314 3.317,317 91.242,318 126.929,320 73.474,321 77.729,324 108.638,325 1.507,326 18.128,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 51.5,338 233,339 4.809,340 3.935,341 7.956,342 4.685,343 3.705,344 4.198,345 2.186,346 15.054,347 3.637,348 4.01,349 3.675,350 6.181,351 3.654,352 2.706,353 3.482,354 0.886,355 8.774,356 2.563,357 3.886,358 2.755,359 5.942,360 3.527,361 2.555,362 3.274,363 0.4,364 7.863,365 2.481,366 3.618,367 2.692,368 5.547,369 3.338,370 2.398,371 2.836,372 0.366,373 7.383,374 2.24,375 3.393,376 2.527,377 5.286,378 3.061,379 2.103,380 2.57,382 6.58,383 1.997,384 3.112,385 2.246,386 4.635,387 2.784,388 1.812,389 2.219,391 4.945,392 1.746,393 2.847,394 1.519,395 4.198,396 2.379,397 1.389,398 1.978,400 3.026,401 1.37,402 2.519,403 1.43,404 3.705,405 2.18,406 1.213,407 1.525,409 2.995,410 1.171,411 2.5,412 1.119,413 3.649,414 2.039,415 1.061,416 1.5,418 2.633,419 1.035,420 2.201,421 1,422 3.567,423 2,424 1,425 1.189,427 2.136,428 1,429 1.69,430 0.916,431 3.247,432 1.57,433 0.625,434 0.653,436 1.634,437 0.589,438 1.229,439 0.7,440 3.029,441 0.946,442 0.033,443 0.038,445 0.091,446 0.03,447 1.162,448 0.338,449 2.923,450 0.728,451 -0.269,452 -0.351,454 -0.64,455 -0.263,456 0.7,457 -0.208,458 2.477,459 0.362,460 -0.602,461 -0.631,463 -1.55,464 -0.577,465 0.573,466 -0.408,467 2.359,468 0.271,469 -0.71,470 -0.848,472 -1.943,473 -0.691,474 11.367,475 0.474,476 0.682,477 0.028,478 31,479 1.292,480 15,481 0.625,482 16,483 0.667,484 19.357,485 0.807,486 25.833,487 0.574,488 21.479,489 0.895,490 5.974,491 0.249,492 5.602,493 0.233,494 0.117,495 0.044,496 0.299,501 0.836,502 1.328,503 0.808,504 1.085,505 0.632,506 0.957,507 0.632,508 0.981,509 0.821,510 0.895,511 0.419,512 0.876,513 1.012,514 1.264,515 1.045,516 1.156,517 0.724,518 1.112,519 1.012,520 1.036,521 1.071,522 1.068,523 0.714,524 1.061,525 1.249,526 1.071,527 1.072,528 1.147,529 1.417,530 1.103,531 1.571,532 0.651,533 0.842,534 0.658,535 1.404,536 0.665,537 1.709,538 0.957,539 1.061,540 0.916,541 1.732,542 0.923,543 1.568,544 0.931,545 1.245,546 0.953,547 2.595,548 1.037,549 5.5,550 0.101,551 3.333,552 2.986,553 1.112,554 0.733,555 0.434,556 0.26,557 0.225,558 0.186,559 6680,560 15248,561 2.125,562 46.7,563 3,564 13,565 1,567 2,569 2,572 1.666,573 1.986,574 3.225,575 0.255,576 1,577 1,579 1,582 67.429,583 1.498,584 3.491,585 4.447,586 4.891,587 5.014,588 5.014,589 2.657,590 4.054,591 4.558,592 3.41,593 941.026,594 7.851,595 10944.7,597 1,599 1,600 247.133,601 1.564,602 4.509,603 0.204,604 0.006,605 0.083,606 0.075,607 0.034,608 0.028,609 0.02,610 0.012,611 0.011,612 0.011,613 0.484,614 0.67,615 1,616 0.566,617 113.676,618 -0.042,619 -0.135,620 0.063,621 -0.033,622 -0.058,623 0.021,624 0.297,625 0.159,626 0.105,627 0.104,628 0.228,629 0.083,630 -0.097,631 -0.21,632 -0.108,633 -0.158,634 -0.023,635 -0.139,636 -0.09,637 -0.032,638 -0.094,639 -0.115,640 0.064,641 -0.097,642 -0.018,643 -0.165,644 -0.058,645 -0.177,646 -0.047,647 -0.131,648 -0.05,649 0.171,650 0.243,651 0.285,652 -0.043,653 0.3,654 -0.08,655 0.028,656 -0.038,657 0.061,658 -0.116,659 0.011,660 -0.151,661 0.123,662 -0.239,663 -0.012,664 -0.266,665 -0.122,666 2.14,667 5.098,668 0.75,669 18.75,670 0.998,671 1.126,672 2.851,673 8.129,674 0.662,675 3.332,676 3.714,677 4.043,678 4.369,679 4.554,680 4.615,681 4.779,682 4.844,683 4.844,684 4.898,685 5.865,686 0.627,687 323.43,688 3.332,689 4.905,690 5.79,691 6.711,692 7.618,693 8.549,694 9.47,695 10.408,696 11.339,697 12.282,698 6.7,700 1,704 1,705 1,715 8,720 4,722 12,736 1,737 1,741 45,743 13,744 2,745 27,747 48,748 19,749 12,750 4,751 8,756 4,757 7,763 1,764 1,766 1,767 1,770 1,772 13,773 6,777 1,782 1,786 1,789 1,790 1,793 21,794 5,795 2,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,853 1,859 2,864 2,868 24,876 2,877 2,878 1,880 1,881 1,882 1,893 4.4,896 1,898 1,901 12.083,902 8.533,903 5.125,904 2.664,907 2.124,908 1.285,909 0.982,910 3.74,911 9.567,912 3.555,913 4.127,914 4.654,915 5.209,916 5.684,917 5.812,918 6.155,919 6.41,920 6.489,921 6.693,922 1,923 40,924 8.888,926 3.856,927 0.026,929 7.642,931 17.222,933 14.708,936 2.142,937 51.417,940 1,941 223.651,942 118.377,943 39.146,945 36.145,948 118.377,949 259.796,950 39.146,951 17.222,952 22.651,953 93.821,954 25.145,955 28.067,956 18.534,957 211.88,959 223.651,960 157.523,961 36.145,964 200.109,965 59.687,968 49.487,969 108.036,972 223.651,973 75.291,974 118.377,977 223.651,978 25.345,979 96.156,980 36.022,981 36.145,982 223.651,983 75.291,984 118.377,986 0.593,987 0.357,988 0.201,989 0.103,990 22,991 9,992 0.063,993 3,994 2,995 1.222,996 3.627,997 204.329,998 0.222,999 18,1000 106.039,1005 15.486,1006 5.796,1007 2.595,1009 75.291,1010 15.188,1015 3.732,1017 36.022,1018 417.318,1019 34,1024 12.098,1028 -0.473,1031 44.912,1032 50.651,1034 0.273,1035 0.636,1036 0.81,1037 0.891,1038 0.913,1039 0.913,1040 4.836,1041 1.213,1042 5.826,1043 3.026,1044 4.394,1045 4.812,1046 2.41,1047 6.756,1048 4.322,1049 6.049,1050 1.061,1051 7.463,1052 2.995,1053 4.205,1054 4.635,1055 1.847,1056 8.132,1057 4.111,1058 7.38,1059 1,1060 9.225,1061 2.633,1062 6.133,1063 6.926,1064 3.516,1065 11.296,1066 6.003,1067 8.75,1068 0.625,1069 11.069,1070 2.136,1071 6.815,1072 7.528,1073 3.601,1074 13.588,1075 6.677,1076 10.159,1077 0.033,1078 12.971,1079 1.634,1080 8.28,1081 9.348,1082 4.909,1083 16.403,1084 8.118,1085 11.597,1086 -0.269,1087 14.916,1088 0.091,1089 9.34,1090 10.323,1091 5.291,1092 18.995,1093 9.174,1094 13.058,1095 -0.602,1096 16.892,1097 -0.64,1098 10.672,1099 11.943,1100 6.388,1101 21.731,1102 10.489,1103 3.705,1104 -0.71,1105 18.891,1106 -1.55,1107 11.885,1108 13.118,1109 6.93,1110 24.41,1111 11.693,1112 2.706,1113 15.054,1114 20.909,1115 -1.943,1116 13.187,1117 14.641,1118 7.902,1119 27.128,1120 12.98,1121 2.555,1122 8.774,1123 22.941,1124 4.198,1125 14.458,1126 15.929,1127 8.539,1128 29.83,1129 14.239,1130 2.398,1131 7.863,1132 24.984,1133 3.482,1134 15.759,1135 17.404,1136 9.436,1137 32.543,1138 15.524,1139 2.103,1140 7.383,1141 27.034,1142 3.274,1143 17.052,1144 18.754,1145 10.13,1146 35.252,1147 16.802,1148 1.812,1149 6.58,1150 29.09,1151 2.836,1152 18.356,1153 20.206,1154 10.981,1155 37.964,1156 18.089,1157 1.389,1158 4.945,1159 31.15,1160 2.57,1161 19.658,1162 21.592,1163 11.71,1164 40.675,1165 19.375,1166 6275,1167 9605,1168 18.087,1169 29.779,1170 41.468,1171 42.381,1172 42.772,1173 41.168,1174 41.2,1175 50.926,1176 7.677,1177 126.227,1178 39.718,1179 5.773,1180 5.935,1181 7.758,1182 5.774,1183 5.705,1184 7.198,1185 3.889,1186 23.395,1187 5.637,1188 10.265,1189 1.536,1190 1.57,1191 1.584,1192 1.525,1193 1.526,1194 1.886,1195 0.284,1196 4.675,1197 1.471,1198 4.085,1199 4.122,1200 4.032,1201 3.991,1202 7.435,1203 3.996,1204 3.899,1205 3.934,1206 3.832,1207 3.821,1208 4.847,1209 3.818,1210 3.678,1211 3.719,1212 3.592,1213 3.544,1214 4.757,1215 3.546,1216 3.389,1217 3.432,1218 3.325,1219 3.111,1220 4.459,1221 3.153,1222 3.263,1223 3.34,1224 3.101,1225 3.01,1226 4.13,1227 3.029,1228 3.132,1229 3.233,1230 2.915,1231 2.931,1232 3.931,1233 2.912,1234 2.854,1235 2.925,1236 2.712,1237 2.735,1238 3.815,1239 2.715,1240 2.837,1241 2.894,1242 2.687,1243 2.678,1244 3.754,1245 2.673,1246 0.178,1247 0.146,1248 0.295,1249 0.174,1250 0.137,1251 4.809,1252 0.155,1253 3.935,1254 0.081,1255 7.956,1256 0.558,1257 4.685,1258 0.135,1259 3.705,1260 4.198,1261 2.186,1262 15.054,1263 3.637,1264 1.907,1265 1.887,1266 2.014,1267 2.01,1268 1.31,1269 2.009,1270 1.881,1271 1.85,1272 1.999,1273 1.968,1274 1.061,1275 1.98,1276 1.627,1277 1.573,1278 1.83,1279 1.811,1280 1.034,1281 1.819,1282 1.461,1283 1.379,1284 1.717,1285 1.713,1286 0.951,1287 1.722,1288 1.232,1289 1.189,1290 1.556,1291 1.545,1292 0.635,1293 1.519,1294 1.144,1295 1.064,1296 1.317,1297 1.426,1298 0.408,1299 1.43,1300 0.886,1301 0.821,1302 1.266,1303 1.145,1304 0.278,1305 1.198,1306 0.854,1307 0.771,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 4.007,1314 5.371,1315 3.045,1316 6.934,1317 5.587,1318 8.595,1319 7.84,1320 10.315,1322 4.379,1328 2.083,1329 6.293,1330 5.483,1332 0.306,1333 2.274,1334 0.055,1340 28.235,1341 67.429,1342 157.08,1343 200.114,1344 220.114,1345 225.624,1346 225.624,1347 33.227,1348 7.442,1349 53.6,1350 53.6,1351 22,1352 12.778,1353 3.807,1354 3,1355 34.028,1356 85,1357 86,1358 0.199,1359 171.335,1360 298.12,1361 409.817,1362 16795,1364 16.734,1365 0.697,1366 0.578,1367 16.734,1368 13.874,1369 11.576,1370 0.429,1371 0.305,1372 8.114,1373 11.157,1374 7.871,1375 6.53,1376 11.576,1377 8.225,1378 10.894,1379 0.272,1380 0.167,1381 10.894,1382 6.695,1383 9.443,1384 0.169,1385 0.092,1386 9.443,1387 5.167,1388 8.38,1389 0.107,1390 0.05,1391 8.38,1392 3.931,1393 6.417,1394 0.068,1395 0.027,1396 6.417,1397 2.533,1398 0.311,1399 72.336,1400 0.235,1401 23.355,1402 0.547,1403 134,1404 347.782,1405 146.998,1406 336.518,1407 469.88,1408 316,1409 163,1410 358.388,1411 175.643,1412 362.737,1413 536.16,1414 341,1415 7.86}
{0 CHEMBL80619,1 1.514,2 6.067,3 2.156,4 4.65,5 57.779,6 7.93,7 0.882,8 3.363,9 3.466,10 3.005,11 2.948,12 4.511,13 2.946,14 3.84,15 3.98,16 3.34,17 3.32,18 4.924,19 3.307,20 3.952,21 4.109,22 3.329,23 3.393,24 5.005,25 3.347,26 3.969,27 4.167,28 3.093,29 3.296,30 4.929,31 3.202,32 3.829,33 4.077,34 2.803,35 3.016,36 4.734,37 2.893,38 3.558,39 3.804,40 2.47,41 2.646,42 4.485,43 2.543,44 3.157,45 3.407,46 1.797,47 2.177,48 4.078,49 2.023,50 2.767,51 3.098,52 1.061,53 1.738,54 3.401,55 1.47,56 0.014,57 0.359,58 4.468,59 2.111,60 4.481,61 2.538,62 0.096,63 0.566,64 8.425,65 3.459,66 10.298,67 4.114,68 0.107,69 0.641,70 9.476,71 4.029,72 10.08,73 4.986,74 0.08,75 0.633,76 10.385,77 4.299,78 10.396,79 5.608,80 0.111,81 0.515,82 10.335,83 4.102,84 12.231,85 5.698,86 0.093,87 0.39,88 8.073,89 2.849,90 11.32,91 3.753,92 0.142,93 0.258,94 5.465,95 1.716,96 10.572,97 2.231,98 0.028,99 0.166,100 4.062,101 1.505,102 5.267,103 2.281,104 3,105 24,106 0.296,107 0.641,108 0.778,109 0.872,110 0.872,111 0.872,112 2.798,113 0.843,114 -2.25,115 -2.29,116 -2.26,121 48,126 1,144 4,145 2,146 1,147 2,154 2,176 4,180 3,185 3,187 4,192 3,195 1,197 3,200 4,206 2,214 2,219 3,222 1,227 1,232 1,243 1,281 183,282 10.525,283 10.525,284 10.525,285 10.525,286 10.525,287 8.863,288 4.313,289 6.184,290 10.821,291 8.353,292 8.353,293 8.353,294 8.353,295 8.353,296 5.797,297 4.651,298 2.87,299 8.731,300 3.13,301 1.371,302 0.67,303 0.19,304 0.19,305 0.19,306 3.476,311 1,312 1,313 200,314 1.871,317 17.966,318 51.283,321 73.056,325 0.889,326 7.352,329 1,330 0.83,331 0.83,332 0.6,334 1,335 1,336 0.75,337 32,338 91,339 4.708,340 3.229,341 6.76,342 4.194,343 3.212,344 4.806,345 0.86,346 11.119,347 3.153,348 3.909,349 2.756,350 5.63,351 3.437,352 2.481,353 3.543,355 7.434,356 2.373,357 3.487,358 2.174,359 5.191,360 3.014,361 2.065,362 2.886,364 6.278,365 1.95,366 3.247,367 1.759,368 4.868,369 2.721,370 1.753,371 2.612,373 5.263,374 1.693,375 2.893,376 1.407,377 3.794,378 2.344,379 1.397,380 2.088,382 3.064,383 1.322,384 2.5,385 1.089,386 3.591,387 1.978,388 1,389 1.5,391 2.543,392 0.975,393 1.975,394 1,395 3.101,396 1.53,397 0.632,398 0.798,400 1.252,401 0.561,402 1.53,403 0.382,404 2.762,405 1.15,406 0.241,407 0.313,409 0.434,410 0.218,411 0.83,412 -0.348,413 2.379,414 0.352,415 -0.589,416 -0.8,418 -1.303,419 -0.546,420 0.803,421 -0.696,422 2.148,423 0.276,424 -0.697,425 -1.045,427 -1.849,428 -0.677,429 0.5,430 -0.95,431 2,432 -0.013,433 -1,434 -1.5,436 -2.84,437 -0.986,438 0.341,439 -1,440 1.801,441 -0.169,442 -1.113,443 -1.535,445 -2.954,446 -1.035,447 -0.293,448 -1.32,449 1.343,450 -0.699,451 -1.589,452 -2.026,454 -4.164,455 -1.416,456 -0.376,457 -1.861,458 1.114,459 -0.89,460 -1.867,461 -2.79,463 -5.253,464 -1.78,465 -0.5,466 -1.901,467 0.747,468 -0.988,469 -1.924,470 -2.851,472 -5.68,473 -1.867,474 7.133,475 0.476,476 0.291,477 0.019,478 22.5,479 1.5,480 12.5,481 0.833,482 10,483 0.667,484 7.694,485 0.513,486 15.067,487 0.603,488 12.585,489 0.839,490 4.612,491 0.307,492 2.769,493 0.185,494 0.07,496 0.35,501 0.914,502 1.157,503 0.71,504 0.956,505 0.841,506 0.825,507 1.349,508 0.974,509 0.84,510 0.776,511 1.1,512 0.744,513 1.03,514 0.997,515 1.005,516 0.997,517 0.925,518 0.999,519 0.894,520 1.153,521 1.156,522 1.209,523 1.039,524 1.216,525 0.56,526 0.973,527 0.879,528 1.084,529 0.658,530 1.045,531 1.343,532 1.074,533 1.09,534 1.059,535 1.204,536 1.047,537 1.561,538 0.805,539 1.561,540 1.034,541 1.571,542 1.248,543 0.206,544 1.022,545 0.892,546 1.109,547 0.611,548 1.108,549 2.5,551 1.556,552 1.201,553 0.586,554 0.372,555 0.117,556 0.043,557 0.02,559 1595,560 4250,561 2.186,562 40,564 7,566 2,567 1,572 1.534,573 2.093,574 2.659,575 -0.265,579 1,582 37.858,583 1.514,584 3.273,585 3.974,586 4.454,587 4.454,588 4.454,589 2.149,590 3.907,591 3.88,592 2.668,593 280.167,594 6.518,595 2209.63,597 1,600 116.096,601 1.231,602 3.859,603 0.147,605 0.065,606 0.052,607 0.034,608 0.031,609 0.015,610 0.014,611 0.02,613 0.379,614 1,615 1,616 0.781,617 56.889,618 -0.055,619 -0.11,620 0.059,621 -0.038,622 -0.059,623 0.019,624 -0.205,625 0.045,626 0.024,627 0.156,628 -0.124,629 0.127,630 -0.094,631 0.015,632 -0.146,633 -0.064,634 -0.076,635 -0.107,636 -0.106,637 -0.192,638 -0.246,639 -0.256,640 -0.215,641 -0.268,642 0.246,643 -0.099,644 0.147,645 -0.077,646 0.251,647 0.002,648 -0.114,649 -0.169,650 -0.016,651 -0.089,652 0.008,653 -0.049,654 -0.083,655 0.164,656 -0.467,657 -0.104,658 -0.263,659 -0.3,660 0.218,661 -0.223,662 0.256,663 -0.053,664 0.232,665 0.074,666 0.791,667 1.711,668 0.867,669 7.307,670 1.003,671 1.115,672 1.018,673 1.037,674 0.7,675 2.89,676 3.219,677 3.555,678 3.871,679 4.127,680 4.174,681 4.277,682 4.344,683 4.06,684 3.871,685 3.64,686 0.675,687 198.24,688 2.89,689 4.419,690 5.293,691 6.188,692 7.086,693 7.991,694 8.895,695 9.804,696 10.711,697 11.62,698 8,706 1,708 1,714 4,715 6,716 1,717 1,720 1,722 15,739 1,741 25,743 15,744 1,745 17,747 27,748 12,749 11,750 3,751 3,756 3,757 6,772 11,773 1,790 1,793 10,794 2,795 1,796 3,802 2,808 0.333,809 1,822 1,824 1,828 1,829 2,832 2,859 1,864 1,868 15,878 1,893 4,898 1,901 7.167,902 4.867,903 3.333,904 1.376,907 3.237,908 1.508,909 1.055,910 1.809,911 9.612,912 3.239,913 3.956,914 4.698,915 5.43,916 6.079,917 6.495,918 6.991,919 7.454,920 7.512,921 7.722,922 1,923 23,924 5.488,925 -0.001,926 2.314,927 0.026,929 7.589,931 10.567,933 8.675,936 2.089,937 31.333,938 0.005,941 105.94,942 81.561,943 33.571,945 11,948 81.561,949 116.94,950 33.571,951 10.883,953 37.905,954 40.328,955 56.27,956 4.288,957 82.398,959 105.94,960 115.132,961 11,964 105.94,965 11,968 34.88,969 63.466,970 16.786,972 105.94,973 44.571,974 81.561,977 105.94,978 14.678,979 66.883,980 16.786,981 27.785,982 105.94,983 44.571,984 81.561,986 0.575,987 0.353,988 0.203,989 0.117,990 14,991 5,992 0.037,993 1,994 2,995 1.308,996 2.775,997 105.612,998 0.308,999 13,1000 58.603,1005 8.594,1006 3.158,1007 1.25,1008 4.519,1009 27.785,1010 11.651,1011 4.088,1012 3.311,1015 0.875,1017 16.786,1018 232.071,1019 24.5,1031 25.065,1032 27.867,1034 0.326,1035 0.705,1036 0.856,1037 0.959,1038 0.959,1039 0.959,1040 4.44,1041 0.241,1042 5.273,1043 1.252,1044 3.892,1045 4.64,1046 0.908,1047 6.116,1048 3.818,1049 5.682,1050 -0.589,1051 6.843,1052 0.434,1053 3.434,1054 4.559,1056 7.066,1057 3.353,1058 7.017,1059 -0.697,1060 8.515,1061 -1.303,1062 5.501,1063 7.048,1064 0.739,1065 10.206,1066 5.38,1067 8.399,1068 -1,1069 10.25,1070 -1.849,1071 5.916,1072 7.862,1074 12.033,1075 5.79,1076 9.817,1077 -1.113,1078 12.026,1079 -2.84,1080 7.431,1081 9.79,1082 0.593,1083 14.685,1084 7.278,1085 11.261,1086 -1.589,1087 13.83,1088 -2.954,1089 8.26,1090 11.027,1092 16.87,1093 8.101,1094 12.727,1095 -1.867,1096 15.656,1097 -4.164,1098 9.553,1099 12.731,1100 0.469,1101 19.361,1102 9.374,1103 3.212,1104 -1.924,1105 17.498,1106 -5.253,1107 10.573,1108 14.161,1110 21.686,1111 10.384,1112 2.481,1113 11.119,1114 19.353,1115 -5.68,1116 11.781,1117 15.779,1118 0.366,1119 24.123,1120 11.575,1121 2.065,1122 7.434,1123 21.219,1124 4.806,1125 12.884,1126 17.291,1128 26.5,1129 12.665,1130 1.753,1131 6.278,1132 23.094,1133 3.543,1134 14.062,1135 18.876,1136 0.283,1137 28.919,1138 13.826,1139 1.397,1140 5.263,1141 24.975,1142 2.886,1143 15.2,1144 20.422,1146 31.315,1147 14.949,1148 1,1149 3.064,1150 26.862,1151 2.612,1152 16.368,1153 21.996,1154 0.217,1155 33.727,1156 16.1,1157 0.632,1158 2.543,1159 28.753,1160 2.088,1161 17.522,1162 23.556,1164 36.132,1165 17.238,1166 1575,1167 2634,1168 11.731,1169 17.512,1170 25.441,1171 25.973,1172 26.342,1173 25.488,1174 25.559,1175 37.092,1176 1.72,1177 74.776,1178 24.492,1179 5.263,1180 5.229,1181 6.441,1182 5.23,1183 5.212,1184 7.806,1185 1.72,1186 18.123,1187 5.153,1188 4.498,1189 1.497,1190 1.528,1191 1.55,1192 1.499,1193 1.503,1194 2.182,1195 0.101,1196 4.399,1197 1.441,1198 4.205,1199 4.235,1200 4.175,1201 4.121,1202 5.101,1203 4.131,1204 3.672,1205 3.706,1206 3.611,1207 3.559,1208 4.769,1209 3.566,1210 3.302,1211 3.364,1212 3.187,1213 3.051,1214 4.462,1215 3.074,1216 3.065,1217 3.154,1218 2.884,1219 2.85,1220 3.96,1221 2.846,1222 2.942,1223 3,1224 2.832,1225 2.812,1226 3.844,1227 2.808,1228 2.722,1229 2.794,1230 2.552,1231 2.588,1232 3.513,1233 2.571,1234 2.233,1235 2.312,1236 2.108,1237 2.074,1238 3.054,1239 2.075,1240 2.107,1241 2.234,1242 1.856,1243 1.752,1244 2.937,1245 1.762,1246 0.277,1247 0.19,1248 0.398,1249 0.247,1250 0.189,1251 4.708,1252 0.283,1253 3.229,1254 0.051,1255 6.76,1256 0.654,1257 4.194,1258 0.185,1259 3.212,1260 4.806,1261 0.86,1262 11.119,1263 3.153,1264 1.966,1265 1.95,1266 2.035,1267 2.035,1268 1.193,1269 2.036,1270 1.822,1271 1.781,1272 1.915,1273 1.986,1274 0.973,1275 1.969,1276 1.245,1277 1.187,1278 1.577,1279 1.553,1280 0.581,1281 1.556,1282 1.047,1283 0.964,1284 1.293,1285 1.294,1286 0.341,1287 1.305,1288 0.934,1289 0.879,1290 1.153,1291 1.098,1292 0.206,1293 1.119,1294 0.696,1295 0.64,1296 0.949,1297 0.868,1298 0.058,1299 0.903,1300 0.539,1301 0.45,1302 0.832,1303 0.799,1305 0.818,1308 0.479,1309 0.3,1311 0.369,1312 3.555,1314 4.875,1315 2.398,1316 6.415,1317 4.844,1318 8.052,1319 7.05,1320 9.738,1322 1.678,1330 5.211,1340 16.865,1341 37.858,1342 81.832,1343 99.342,1344 111.342,1345 111.342,1346 111.342,1347 12.288,1348 6.375,1349 37.91,1350 37.91,1351 17,1352 12.136,1353 4,1354 3.087,1355 19.856,1356 33,1357 34,1358 0.324,1359 103.719,1360 161.33,1361 244.834,1362 3979,1364 10.251,1365 0.683,1366 0.555,1367 10.251,1368 8.32,1369 7.381,1370 0.434,1371 0.281,1372 4.702,1373 7.089,1374 4.57,1375 3.807,1376 7.381,1377 4.777,1378 6.455,1379 0.269,1380 0.144,1381 6.455,1382 3.458,1383 5.857,1384 0.172,1385 0.077,1386 5.857,1387 2.607,1388 5.028,1389 0.107,1390 0.039,1391 5.028,1392 1.856,1393 4.293,1394 0.07,1395 0.021,1396 4.293,1397 1.271,1398 0.47,1399 46.312,1400 0.292,1401 14.735,1402 1.003,1403 82,1404 229.714,1405 88.32,1406 223.587,1407 315.45,1408 212,1409 99,1410 238.912,1411 105.516,1412 245.336,1413 358.07,1414 230,1415 5}
{0 CHEMBL808,1 1.685,2 9.458,3 4.981,4 24.811,5 98.263,6 9.787,7 0.654,8 3.77,9 3.859,10 3.573,11 3.416,12 4.898,13 3.382,14 4.279,15 4.41,16 3.958,17 3.799,18 5.395,19 3.743,20 4.498,21 4.656,22 3.987,23 3.908,24 5.546,25 3.793,26 4.553,27 4.745,28 4.026,29 3.821,30 5.596,31 3.705,32 4.492,33 4.702,34 3.817,35 3.76,36 5.447,37 3.67,38 4.463,39 4.633,40 3.973,41 3.894,42 5.545,43 3.786,44 4.537,45 4.746,46 3.971,47 3.924,48 5.582,49 3.793,50 4.404,51 4.607,52 3.827,53 3.799,54 5.47,55 3.644,56 0.05,57 0.496,58 4.28,59 3.09,60 6.134,61 3.789,62 0.234,63 0.811,64 10.452,65 5.381,66 16.383,67 6.091,68 0.339,69 0.908,70 21.759,71 7.992,72 29.399,73 9.479,74 0.499,75 0.945,76 31.404,77 9.077,78 45.577,79 10.55,80 0.479,81 0.943,82 24.659,83 8.101,84 36.229,85 9.469,86 0.408,87 0.917,88 23.008,89 7.77,90 33.313,91 9.489,92 0.354,93 1.009,94 25.301,95 8.511,96 33.07,97 10.919,98 0.291,99 0.841,100 25.076,101 7.831,102 30.02,103 9.865,104 10,105 35,106 0.299,107 0.593,108 0.757,109 0.837,110 0.872,111 0.884,112 3.228,113 0.983,114 -5.64,115 -5.51,116 -5.14,121 46.2,127 2,129 1,144 7,145 2,146 3,147 1,153 1,162 1,176 6,179 1,180 2,187 13,191 1,192 4,200 7,206 6,214 5,218 1,219 5,227 3,232 5,239 7,244 7,251 8,256 2,264 8,269 4,277 3,281 964,282 16.154,283 16.154,284 16.154,285 16.154,286 16.154,287 13.952,288 15.958,289 9.676,290 16.827,291 12.837,292 12.837,293 12.837,294 12.837,295 12.837,296 9.699,297 15.622,298 4.643,299 14.073,300 3.6,301 1.948,302 1.023,303 0.571,304 0.378,305 0.308,306 3.908,308 3,311 1,312 1,313 483,314 3,317 75.438,318 175.671,325 1.253,326 19.293,329 0.75,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.84,337 51,338 227,339 4.322,340 3.454,341 6.469,342 3.968,343 3.027,344 3.93,345 1.307,346 10.031,347 2.831,348 4.012,349 3.005,350 5.474,351 3.579,352 2.619,353 3.614,354 0.447,355 7.281,356 2.515,357 3.928,358 2.919,359 5.404,360 3.46,361 2.55,362 3.483,364 7.134,365 2.307,366 3.575,367 2.676,368 5.136,369 3.151,370 2.263,371 2.879,373 6.272,374 1.951,375 3.415,376 2.622,377 4.89,378 2.98,379 2.088,380 2.702,382 5.691,383 1.773,384 3.037,385 2.371,386 4.694,387 2.618,388 1.77,389 2.166,391 4.847,392 1.419,393 2.701,394 1.609,395 3.965,396 2.238,397 1.295,398 1.776,400 3.254,401 1.186,402 2.5,403 1.331,404 3.433,405 2.04,406 1.136,407 1.5,409 2.544,410 1.016,411 2.488,412 1.006,413 3.414,414 2,415 1,416 1.485,418 2.275,419 1,420 2.118,421 1,422 3.112,423 1.554,424 0.618,425 0.927,427 1.401,428 0.577,429 1.764,430 0.618,431 3,432 1.489,433 0.597,434 0.676,436 1.372,437 0.51,438 1.224,439 0.535,440 2.649,441 0.802,442 -0.048,443 -0.058,445 -0.115,446 -0.034,447 1.073,448 0.304,449 2.383,450 0.696,451 -0.163,452 -0.191,454 -0.372,455 -0.119,456 0.796,457 0.256,458 2.358,459 0.273,460 -0.514,461 -0.621,463 -1.242,464 -0.293,465 0.532,466 -0.219,467 2,468 0.179,469 -0.665,470 -0.769,472 -1.731,473 -0.521,474 12.276,475 0.512,476 0.558,477 0.023,478 31.5,479 1.313,480 16,481 0.667,482 15.5,483 0.646,484 19.21,485 0.8,486 24.924,487 0.639,488 21.001,489 0.875,490 6.364,491 0.265,492 5.25,493 0.219,494 0.175,496 0.277,501 0.68,502 1.288,503 0.494,504 0.836,505 0.617,506 0.808,507 1.103,508 0.958,509 0.654,510 0.73,511 0.798,512 0.819,513 1.122,514 1.095,515 1.033,516 1.122,517 1.059,518 1.148,519 1.123,520 1.078,521 0.886,522 1.085,523 0.956,524 1.054,525 1.153,526 0.82,527 0.715,528 0.757,529 0.915,530 0.8,531 0.728,532 1.077,533 0.933,534 1.081,535 0.803,536 1.063,537 0.64,538 0.998,539 0.847,540 0.949,541 0.783,542 0.982,543 0.876,544 1.013,545 1.111,546 1.038,547 1.049,548 1.066,549 5,550 0.071,551 2.444,552 1.285,553 1.031,554 0.66,555 0.482,556 0.361,557 0.236,558 0.223,559 6227,560 22744,561 2.064,562 38.5,564 12,565 1,566 2,572 1.674,573 1.946,574 3.183,575 -0.74,582 65.714,583 1.685,584 3.337,585 4.262,586 4.715,587 4.907,588 4.978,589 2.584,590 4.054,591 4.556,592 3.345,593 923.174,594 7.891,595 11095,597 1,600 206.131,601 1.347,602 4.522,603 0.192,604 0.007,605 0.07,606 0.04,607 0.036,608 0.022,609 0.015,610 0.011,611 0.009,612 0.012,613 0.414,614 0.5,615 0.88,616 0.566,617 113.83,618 -0.026,619 -0.207,620 0.009,621 -0.07,622 -0.051,623 -0.024,624 -0.159,625 0.132,626 -0.021,627 0.097,628 -0.054,629 0.004,630 -0.105,631 -0.139,632 -0.143,633 -0.178,634 -0.125,635 -0.211,636 0.037,637 -0.148,638 0.052,639 -0.088,640 0.071,641 -0.058,642 -0.06,643 0.182,644 0.044,645 0.199,646 -0.049,647 0.178,648 0.093,649 -0.091,650 -0.073,651 -0.148,652 0.033,653 -0.112,654 0.046,655 0.014,656 0.014,657 0.004,658 0.02,659 0.016,660 -0.096,661 -0.05,662 -0.088,663 -0.039,664 -0.114,665 -0.045,666 1.556,667 2.629,668 0.708,669 19.014,670 1.015,671 1.112,672 4.414,673 19.48,674 0.747,675 3.296,676 3.584,677 3.784,678 3.989,679 4.127,680 4.143,681 4.159,682 4.263,683 4.317,684 4.304,685 5.765,686 0.704,687 381.7,688 3.296,689 4.812,690 5.631,691 6.482,692 7.317,693 8.17,694 9.012,695 9.868,696 10.714,697 11.572,698 5.1,706 1,708 1,715 10,716 1,720 5,721 1,722 17,740 3,741 39,743 17,744 2,745 26,747 41,748 18,749 15,750 5,751 7,756 3,757 3,758 3,770 1,772 15,773 3,793 15,794 2,796 6,797 3,799 1,802 2,808 1,809 1,828 1,829 2,858 1,859 3,865 3,868 24,876 2,878 1,880 1,892 3,893 2.6,897 1,901 12.333,902 6.912,903 5.306,904 2.161,907 2.136,908 1.323,909 0.981,910 5.924,911 8.744,912 3.57,913 4.147,914 4.643,915 5.129,916 5.484,917 5.491,918 5.595,919 5.946,920 6.309,921 6.624,922 1,923 32,924 8.803,926 3.654,927 0.026,929 7.729,931 16.742,933 13.431,936 2.229,937 53.5,941 176.567,942 116.618,943 18.685,944 117.446,945 11,948 116.618,949 305.012,950 18.685,952 6.698,953 75.381,954 59.946,955 27.819,956 11.771,957 141.253,958 117.446,959 176.567,960 135.303,961 11,962 117.446,964 176.567,966 11,968 26.263,969 92.254,970 134.231,972 176.567,973 29.685,974 234.064,977 176.567,978 23.571,979 94.946,981 145.231,982 176.567,983 29.685,984 234.064,986 0.576,987 0.323,988 0.168,989 0.087,990 16,991 7,992 0.146,993 6,995 1,996 3.655,997 187.7,999 17,1000 106.039,1005 17.459,1006 8.144,1007 4.824,1009 27.785,1010 18.403,1011 4.072,1015 3.824,1016 1.956,1018 440.315,1019 34.5,1031 39.571,1032 43.36,1034 0.319,1035 0.631,1036 0.806,1037 0.892,1038 0.928,1039 0.942,1040 4.773,1041 1.136,1042 5.595,1043 3.254,1044 4.263,1045 4.832,1046 1.572,1047 6.333,1048 4.084,1049 5.962,1050 1,1051 7.109,1052 2.544,1053 3.761,1054 4.477,1056 7.081,1057 3.38,1058 7.242,1059 0.618,1060 8.718,1061 2.275,1062 5.79,1063 6.957,1064 1.935,1065 10.134,1066 5.479,1067 8.554,1068 0.597,1069 10.383,1070 1.401,1071 6.089,1072 7.397,1074 11.727,1075 5.61,1076 9.894,1077 -0.048,1078 12.086,1079 1.372,1080 7.569,1081 9.318,1082 2.398,1083 14.295,1084 7.139,1085 11.252,1086 -0.163,1087 13.816,1088 -0.115,1089 8.249,1090 10.141,1092 16.271,1093 7.683,1094 12.625,1095 -0.514,1096 15.567,1097 -0.372,1098 9.498,1099 11.804,1100 2.894,1101 18.671,1102 8.95,1103 3.027,1104 -0.665,1105 17.336,1106 -1.242,1107 10.373,1108 12.837,1110 20.827,1111 9.713,1112 2.619,1113 10.031,1114 19.119,1115 -1.731,1116 11.523,1117 14.364,1118 3.407,1119 23.166,1120 10.853,1121 2.55,1122 7.281,1123 20.915,1124 3.93,1125 12.5,1126 15.519,1128 25.404,1129 11.736,1130 2.263,1131 7.134,1132 22.721,1133 3.614,1134 13.608,1135 16.97,1136 3.929,1137 27.722,1138 12.813,1139 2.088,1140 6.272,1141 24.537,1142 3.483,1143 14.64,1144 18.2,1146 29.996,1147 13.762,1148 1.77,1149 5.691,1150 26.36,1151 2.879,1152 15.733,1153 19.607,1154 4.457,1155 32.306,1156 14.811,1157 1.295,1158 4.847,1159 28.191,1160 2.702,1161 16.794,1162 20.883,1164 34.597,1165 15.795,1166 6063,1167 11696,1168 17.394,1169 29.131,1170 38.527,1171 38.758,1172 38.751,1173 38.44,1174 37.926,1175 50.277,1176 3.509,1177 104.204,1178 34.168,1179 5.22,1180 5.454,1181 6.083,1182 5.048,1183 5.027,1184 6.93,1185 2.615,1186 16.813,1187 4.831,1188 10.839,1189 1.482,1190 1.491,1191 1.49,1192 1.478,1193 1.459,1194 1.934,1195 0.135,1196 4.008,1197 1.314,1198 4.002,1199 4.041,1200 4.106,1201 3.917,1202 5.033,1203 3.913,1204 3.894,1205 3.926,1206 3.991,1207 3.845,1208 4.951,1209 3.834,1210 3.85,1211 3.883,1212 3.851,1213 3.677,1214 4.935,1215 3.703,1216 3.388,1217 3.418,1218 3.6,1219 3.216,1220 4.641,1221 3.222,1222 3.1,1223 3.154,1224 3.445,1225 2.997,1226 4.538,1227 2.977,1228 2.88,1229 2.925,1230 3.242,1231 2.801,1232 4.233,1233 2.772,1234 2.854,1235 2.922,1236 2.934,1237 2.735,1238 4.026,1239 2.715,1240 2.768,1241 2.812,1242 2.694,1243 2.652,1244 3.674,1245 2.629,1246 0.166,1247 0.133,1248 0.249,1249 0.153,1250 0.116,1251 4.322,1252 0.151,1253 3.454,1254 0.05,1255 6.469,1256 0.386,1257 3.968,1258 0.109,1259 3.027,1260 3.93,1261 1.307,1262 10.031,1263 2.831,1264 1.924,1265 1.907,1266 2.013,1267 2.02,1268 1.232,1269 2.024,1270 1.883,1271 1.863,1272 1.964,1273 1.949,1274 1.123,1275 1.966,1276 1.587,1277 1.529,1278 1.742,1279 1.793,1280 0.921,1281 1.787,1282 1.31,1283 1.252,1284 1.493,1285 1.527,1286 0.598,1287 1.52,1288 1.206,1289 1.158,1290 1.411,1291 1.454,1292 0.49,1293 1.445,1294 1.016,1295 0.97,1296 1.233,1297 1.178,1298 0.303,1299 1.213,1300 0.886,1301 0.824,1302 1.181,1303 1.062,1304 0.218,1305 1.107,1306 0.868,1307 0.821,1308 1.099,1309 1.016,1310 0.169,1311 1.06,1312 3.97,1314 5.263,1315 2.398,1316 6.732,1317 4.443,1318 8.284,1319 6.26,1320 9.88,1323 18.279,1328 1.06,1330 6.129,1332 -0.223,1340 27.455,1341 65.714,1342 130.141,1343 166.215,1344 183.866,1345 191.376,1346 194.131,1347 36.793,1348 6.608,1349 27.05,1350 27.05,1351 17,1352 12.126,1353 4.17,1354 3.248,1355 38.996,1356 77,1357 94,1358 0.23,1359 180.417,1360 305.48,1361 431.977,1362 5383,1363 7.7,1364 16.941,1365 0.706,1366 0.624,1367 18.441,1368 14.969,1369 11.614,1370 0.447,1371 0.328,1372 7.393,1373 10.405,1374 7.131,1375 5.86,1376 12.48,1377 8.517,1378 10.409,1379 0.297,1380 0.189,1381 11.596,1382 6.631,1383 8.295,1384 0.193,1385 0.103,1386 9.178,1387 4.424,1388 6.638,1389 0.125,1390 0.057,1391 7.553,1392 3.023,1393 4.863,1394 0.08,1395 0.032,1396 5.477,1397 1.952,1398 0.355,1399 81.232,1400 0.24,1401 23.39,1402 0.649,1403 122,1404 373.636,1405 175.626,1406 451.951,1407 580.85,1408 420,1409 139,1410 346.063,1411 178.46,1412 382.782,1413 553.54,1414 358,1415 4.864}
{0 CHEMBL81,1 1.488,2 13.941,3 6.411,4 41.095,5 136.943,6 7.764,7 0.579,8 4.209,9 4.302,10 3.846,11 3.835,12 5.307,13 3.788,14 4.74,15 4.883,16 4.23,17 4.25,18 5.792,19 4.176,20 5.029,21 5.22,22 4.305,23 4.388,24 6.054,25 4.279,26 5.046,27 5.25,28 4.293,29 4.362,30 6.061,31 4.236,32 4.971,33 5.178,34 4.202,35 4.299,36 5.998,37 4.192,38 4.915,39 5.089,40 4.228,41 4.293,42 6.038,43 4.206,44 4.907,45 5.079,46 4.121,47 4.278,48 6.06,49 4.178,50 4.937,51 5.143,52 3.986,53 4.158,54 6.07,55 4.048,56 0.039,57 0.777,58 12.435,59 6.172,60 11.435,61 7.351,62 0.12,63 1.349,64 23.706,65 10.529,66 19.951,67 12.758,68 0.351,69 1.751,70 36.383,71 14.638,72 46.44,73 17.756,74 0.328,75 1.768,76 41.434,77 15.927,78 49.686,79 19.011,80 0.273,81 1.626,82 37.338,83 14.668,84 45.684,85 17.752,86 0.381,87 1.533,88 32.557,89 13.051,90 50.362,91 15.683,92 0.265,93 1.52,94 30.662,95 13.029,96 55.302,97 16.067,98 0.311,99 1.512,100 31.467,101 12.994,102 72.99,103 16.669,104 10,105 53,106 0.237,107 0.548,108 0.683,109 0.796,110 0.831,111 0.837,112 3.561,113 0.983,114 -4.74,115 -4.65,116 -4.37,121 45.9,123 3,127 4,144 11,145 4,146 3,154 2,159 1,176 13,180 6,185 4,187 19,191 1,192 6,197 3,200 16,206 6,211 3,214 16,219 8,224 1,227 19,231 1,232 6,237 3,239 22,244 2,247 1,249 4,251 18,256 3,259 1,261 7,264 10,268 1,269 5,274 5,277 4,281 2314,282 23.292,283 23.292,284 23.292,285 23.292,286 23.292,287 20.644,288 17.325,289 13.819,290 23.759,291 18.776,292 18.776,293 18.776,294 18.776,295 18.776,296 14.717,297 16.636,298 6.623,299 19.575,300 4.442,301 2.499,302 1.651,303 0.944,304 0.721,305 0.689,306 4.27,312 1,313 1047,314 3.317,317 79.233,318 428.943,321 150.813,325 2.131,326 34.277,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 72.5,338 474,339 4.743,340 3.659,341 7.046,342 4.31,343 3.337,344 4.67,345 0.86,346 12.111,347 3.258,348 4.163,349 3.073,350 6.076,351 3.753,352 2.765,353 3.78,354 0.8,355 8.691,356 2.722,357 4.079,358 2.913,359 6.009,360 3.646,361 2.668,362 3.704,364 8.515,365 2.605,366 3.812,367 2.777,368 5.395,369 3.461,370 2.533,371 3.293,373 7.044,374 2.351,375 3.63,376 2.757,377 5.333,378 3.375,379 2.421,380 2.989,382 6.905,383 2.301,384 3.512,385 2.536,386 5.199,387 3.211,388 2.263,389 2.785,391 6.318,392 2.134,393 3.444,394 2.262,395 5.017,396 3.027,397 2.069,398 2.519,400 5.917,401 1.972,402 3.154,403 2.03,404 4.827,405 2.661,406 1.723,407 2.433,409 5.155,410 1.601,411 2.893,412 1.639,413 4.444,414 2.525,415 1.549,416 2.05,418 4.116,419 1.505,420 2.614,421 1.624,422 4.034,423 2.376,424 1.42,425 1.602,427 3.251,428 1.339,429 2.538,430 1.419,431 3.677,432 2.086,433 1.137,434 1.513,436 2.905,437 1.06,438 2.5,439 1.362,440 3.414,441 2,442 1,443 1.5,445 2.278,446 1,447 2.5,448 1.077,449 3.414,450 2,451 1,452 1.5,454 2.275,455 1,456 2.122,457 1,458 3.395,459 1.984,460 1,461 1.095,463 2.275,464 0.983,465 2.012,466 1,467 3.266,468 1.926,469 0.968,470 1,472 2.136,473 0.913,474 16.567,475 0.487,476 0.763,477 0.022,478 44,479 1.294,480 23,481 0.676,482 21,483 0.618,484 30.281,485 0.891,486 35.633,487 0.584,488 34.555,489 1.016,490 8.339,491 0.245,492 8.241,493 0.242,494 0.06,496 0.326,501 0.842,502 1.024,503 0.765,504 0.888,505 0.779,506 0.867,507 0.873,508 0.993,509 0.869,510 0.919,511 0.555,512 0.922,513 1.023,514 0.887,515 0.968,516 0.901,517 0.822,518 0.917,519 0.926,520 0.98,521 1.053,522 1.075,523 0.987,524 0.957,525 0.951,526 0.883,527 0.979,528 0.939,529 0.896,530 0.828,531 1.004,532 0.938,533 0.96,534 0.959,535 1.016,536 0.921,537 0.836,538 1.115,539 1.046,540 1.14,541 0.849,542 1.121,543 0.881,544 1.137,545 0.831,546 1.08,547 0.974,548 1.129,549 6,550 0.127,551 3.556,552 2.167,553 2.059,554 1.421,555 0.772,556 0.547,557 0.422,558 0.29,559 18303,560 44586,561 2.145,562 44.3,563 2,564 19,567 2,569 4,572 1.759,573 2.04,574 3.684,575 0.118,582 90.787,583 1.488,584 3.432,585 4.28,586 4.986,587 5.209,588 5.242,589 3.232,590 4.558,591 5.05,592 3.908,593 2192.29,594 8.859,595 34045.9,600 361.775,601 1.286,602 5.033,603 0.158,604 0.005,605 0.067,606 0.04,607 0.041,608 0.028,609 0.015,610 0.011,611 0.011,612 0.01,613 0.386,614 0.17,615 0.75,616 0.459,617 183.439,618 -0.064,619 0.015,620 0.049,621 0.076,622 -0.075,623 0.06,624 -0.069,625 0.067,626 0.035,627 0.055,628 0.043,629 0.02,630 -0.055,631 0.132,632 0.039,633 0.101,634 0.016,635 0.056,636 -0.003,637 0.018,638 0.09,639 0.012,640 0.006,641 0.053,642 -0.023,643 0.101,644 0.105,645 0.116,646 0.038,647 0.181,648 0.017,649 0.059,650 0.019,651 0.039,652 0.008,653 0.047,654 0.038,655 -0.132,656 -0.136,657 -0.167,658 0.073,659 -0.15,660 0.094,661 -0.207,662 -0.015,663 -0.187,664 0.088,665 -0.155,666 1.75,667 6.647,668 0.794,669 43.775,670 1,671 1.109,672 3.508,673 12.308,674 0.695,675 3.664,676 3.989,677 4.277,678 4.564,679 4.844,680 4.956,681 5.118,682 5.283,683 5.371,684 5.421,685 8.014,686 0.654,687 473.63,688 3.664,689 5.209,690 6.066,691 6.948,692 7.827,693 8.72,694 9.612,695 10.514,696 11.415,697 12.323,698 1.6,701 1,714 2,715 11,719 1,720 7,722 22,727 1,738 2,739 1,741 61,743 23,744 3,745 38,747 65,748 28,749 20,750 7,751 11,752 1,756 5,757 6,767 3,770 3,772 21,773 7,777 1,782 1,786 1,793 27,794 5,795 2,796 6,797 1,802 1,808 0.8,809 4,828 1,829 4,832 1,855 1,859 4,862 1,868 34,875 2,876 7,878 1,881 1,888 1,893 6.6,895 2,896 1,898 1,901 16.667,902 10.767,903 7.417,904 3.831,907 4.214,908 1.509,909 0.983,910 6.954,911 12.491,912 3.932,913 4.546,914 5.171,915 5.803,916 6.409,917 6.805,918 7.283,919 7.765,920 8.115,921 8.458,922 1,923 54,924 12.652,926 5.51,927 0.026,929 7.721,931 24.414,933 20.658,936 2.221,937 75.5,941 294.278,942 178.64,943 3.124,945 121.512,947 31.278,948 147.363,949 415.789,950 3.124,952 18.513,953 104.239,954 115.645,955 31.497,956 2.104,957 325.555,959 294.278,960 150.487,961 121.512,962 31.278,964 247.193,965 168.596,968 21.637,969 128.85,971 31.278,972 294.278,973 124.636,974 178.64,977 294.278,978 74.402,979 107.363,981 121.512,982 294.278,983 124.636,984 178.64,986 0.58,987 0.336,988 0.182,989 0.107,990 26,991 11,992 0.108,993 7,994 1,995 1.074,996 4.567,997 323.384,998 0.074,999 27,1000 160.974,1001 1,1005 23.035,1006 10.264,1007 5.198,1008 1.641,1009 124.636,1010 19.219,1014 1.456,1015 3.933,1017 85.367,1018 597.554,1019 50,1024 13.647,1028 -0.083,1031 60.974,1032 67.654,1034 0.251,1035 0.579,1036 0.722,1037 0.841,1038 0.878,1039 0.884,1040 5.168,1041 1.723,1042 6.043,1043 5.917,1044 4.673,1045 5.234,1046 1.235,1047 6.853,1048 4.596,1049 6.37,1050 1.549,1051 7.596,1052 5.155,1053 4.205,1054 5.037,1055 0.325,1056 7.758,1057 4.084,1058 7.677,1059 1.42,1060 9.252,1061 4.116,1062 6.26,1063 7.462,1064 0.938,1065 10.898,1066 6.123,1067 9.022,1068 1.137,1069 10.971,1070 3.251,1071 6.635,1072 8.136,1073 0.268,1074 12.711,1075 6.465,1076 10.404,1077 1,1078 12.733,1079 2.905,1080 8.142,1081 10.025,1082 0.732,1083 15.393,1084 7.96,1085 11.812,1086 1,1087 14.527,1088 2.278,1089 8.925,1090 11.125,1091 0.188,1092 17.603,1093 8.717,1094 13.242,1095 1,1096 16.347,1097 2.275,1098 10.215,1099 12.793,1100 0.57,1101 20.148,1102 9.993,1103 3.337,1104 0.968,1105 18.188,1106 2.275,1107 11.204,1108 14.112,1109 0.125,1110 22.526,1111 10.96,1112 2.765,1113 12.111,1114 20.046,1115 2.136,1116 12.413,1117 15.69,1118 0.438,1119 25.03,1120 12.153,1121 2.668,1122 8.691,1123 21.918,1124 4.67,1125 13.506,1126 17.118,1127 0.082,1128 27.477,1129 13.224,1130 2.533,1131 8.515,1132 23.803,1133 3.78,1134 14.691,1135 18.663,1136 0.334,1137 29.971,1138 14.392,1139 2.421,1140 7.044,1141 25.698,1142 3.704,1143 15.835,1144 20.146,1145 0.054,1146 32.445,1147 15.514,1148 2.263,1149 6.905,1150 27.603,1151 3.293,1152 17.018,1153 21.681,1154 0.252,1155 34.937,1156 16.677,1157 2.069,1158 6.318,1159 29.514,1160 2.989,1161 18.189,1162 23.191,1163 0.035,1164 37.423,1165 17.825,1166 17001,1167 26847,1168 25.948,1169 42.37,1170 57.33,1171 58.213,1172 58.321,1173 56.884,1174 56.766,1175 74.398,1176 3.32,1177 162.472,1178 54.487,1179 5.743,1180 5.659,1181 6.848,1182 5.437,1183 5.337,1184 7.67,1185 1.72,1186 19.521,1187 5.258,1188 13.588,1189 1.509,1190 1.532,1191 1.535,1192 1.497,1193 1.494,1194 1.958,1195 0.087,1196 4.276,1197 1.434,1198 4.134,1199 4.133,1200 4.358,1201 4.153,1202 7.427,1203 4.11,1204 3.908,1205 3.944,1206 3.865,1207 3.833,1208 6.474,1209 3.83,1210 3.852,1211 3.892,1212 3.793,1213 3.785,1214 6.468,1215 3.782,1216 3.834,1217 3.864,1218 3.711,1219 3.69,1220 4.849,1221 3.685,1222 3.472,1223 3.516,1224 3.48,1225 3.344,1226 4.775,1227 3.338,1228 3.382,1229 3.404,1230 3.332,1231 3.243,1232 4.553,1233 3.231,1234 3.111,1235 3.206,1236 3.166,1237 3.005,1238 4.371,1239 2.974,1240 3.094,1241 3.102,1242 2.866,1243 2.941,1244 4.218,1245 2.91,1246 0.125,1247 0.096,1248 0.185,1249 0.113,1250 0.088,1251 4.743,1252 0.123,1253 3.659,1254 0.023,1255 7.046,1256 0.319,1257 4.31,1258 0.086,1259 3.337,1260 4.67,1261 0.86,1262 12.111,1263 3.258,1264 1.96,1265 1.949,1266 2.061,1267 2.042,1268 1.412,1269 2.047,1270 1.892,1271 1.882,1272 2.032,1273 2.015,1274 1.175,1275 2.024,1276 1.865,1277 1.845,1278 1.974,1279 1.959,1280 1.099,1281 1.971,1282 1.825,1283 1.761,1284 1.945,1285 1.939,1286 1.069,1287 1.948,1288 1.45,1289 1.435,1290 1.708,1291 1.659,1292 0.993,1293 1.677,1294 1.38,1295 1.337,1296 1.513,1297 1.484,1298 0.825,1299 1.482,1300 1.153,1301 1.064,1302 1.409,1303 1.376,1304 0.632,1305 1.429,1306 1.035,1307 1.036,1308 1.279,1309 1.222,1310 0.537,1311 1.243,1312 4.344,1314 5.666,1315 2.398,1316 7.185,1317 4.844,1318 8.79,1319 7.066,1320 10.443,1327 19.636,1328 7.696,1330 5.919,1333 2.436,1340 39.916,1341 90.787,1342 209.345,1343 261.092,1344 304.165,1345 317.775,1346 319.775,1347 64.379,1348 8.277,1349 70,1350 98.24,1351 29,1352 12.842,1353 4.585,1354 3.7,1355 50.117,1356 158,1357 194,1358 0.149,1359 244.098,1360 423.19,1361 587.359,1362 51851,1364 23.493,1365 0.691,1366 0.579,1367 23.847,1368 19.683,1369 16.581,1370 0.436,1371 0.328,1372 11.594,1373 15.691,1374 11.299,1375 9.297,1376 16.989,1377 12.448,1378 14.914,1379 0.281,1380 0.183,1381 15.53,1382 9.69,1383 12.725,1384 0.179,1385 0.105,1386 13.55,1387 7.473,1388 10.613,1389 0.112,1390 0.06,1391 11.69,1392 5.688,1393 8.967,1394 0.071,1395 0.033,1396 9.945,1397 4.119,1398 0.238,1399 106.818,1400 0.196,1401 31.782,1402 0.401,1403 182,1404 496.276,1405 219.559,1406 501.586,1407 687.29,1408 470,1409 215,1410 487.007,1411 251.577,1412 510.415,1413 752.24,1414 483,1415 6.398}
{0 CHEMBL812,1 1.599,2 5.769,3 0.751,4 0.564,5 49.2,6 6.971,7 0.462,8 3.339,9 3.468,10 2.838,11 2.712,12 4.481,13 2.716,14 3.839,15 4.062,16 3.115,17 3.003,18 4.99,19 2.993,20 3.904,21 4.067,22 3.067,23 3.11,24 5.075,25 3.053,26 4.067,27 4.317,28 2.805,29 2.91,30 5.175,31 2.844,32 3.583,33 3.778,34 2.656,35 2.71,36 4.748,37 2.66,38 3.53,39 3.741,40 2.505,41 2.699,42 4.641,43 2.59,44 3.666,45 3.981,46 1.972,47 2.554,48 4.533,49 2.369,50 3.225,51 3.523,52 1.002,53 2.25,54 3.85,55 1.9,56 0.023,57 0.357,58 5.833,59 1.961,60 3.684,61 2.972,62 0.361,63 0.489,64 10.996,65 2.679,66 20.69,67 4.338,68 0.144,69 0.509,70 11.034,71 3.898,72 13.585,73 5.432,74 0.387,75 0.438,76 14.778,77 3.467,78 47.204,79 5.199,80 0.247,81 0.349,82 8.498,83 2.401,84 19.773,85 3.426,86 0.066,87 0.357,88 7.535,89 2.453,90 12.321,91 3.806,92 0.244,93 0.321,94 9.727,95 2.161,96 25.48,97 3.739,98 0.038,99 0.211,100 5.643,101 2.16,102 7.141,103 3.325,104 20,105 17,106 0.326,107 0.603,108 0.687,109 0.783,110 0.783,111 0.783,112 2.665,113 0.935,114 -1.55,115 -1.62,116 -1.66,121 34.6,126 3,144 2,146 1,147 2,161 1,176 1,179 3,180 1,189 1,192 1,194 1,203 1,206 2,219 2,221 2,281 147,282 8.207,283 8.207,284 8.207,285 8.207,286 8.207,287 7.301,288 10.543,289 4.916,290 8.535,291 6.391,292 6.391,293 6.391,294 6.391,295 6.391,296 5.014,297 11.784,298 2.337,299 6.882,300 3.101,301 1.742,302 1.328,303 0.856,304 0.856,305 0.856,306 3.267,311 1,312 1,313 144,314 2.828,318 44.403,325 0.899,326 11.281,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 29,338 75,339 4.092,340 3.762,341 5.828,342 3.698,343 2.773,344 3.665,345 2.208,346 8.01,347 2.55,348 3.798,349 2.79,350 5.411,351 3.433,352 2.496,353 3.024,354 0.655,355 6.892,356 2.33,357 3.239,358 2.199,359 4.727,360 2.833,361 1.919,362 2.466,363 0.13,364 5.195,365 1.748,366 2.667,367 1.968,368 3.541,369 2.192,370 1.22,371 1.743,373 2.665,374 1.182,375 2.304,376 1.251,377 3.428,378 1.964,379 1,380 1.191,382 2.272,383 0.946,384 1.185,385 0.672,386 2.418,387 0.733,388 -0.22,389 -0.288,391 -0.538,392 -0.205,393 0.886,394 -0.239,395 2,396 0.517,397 -0.438,398 -0.54,400 -1.025,401 -0.414,402 0.484,403 -0.385,404 1.719,405 -0.034,406 -1,407 -1,409 -2,410 -0.9,412 -0.6,413 1.365,414 -0.1,415 -1,416 -1.41,418 -2.57,419 -0.95,420 -0.065,421 -1.019,422 1.118,423 -0.414,424 -1.362,425 -1.8,427 -3.396,428 -1.282,429 -0.271,430 -1.226,431 1,432 -0.549,433 -1.496,434 -1.84,435 -0.4,436 -4.209,437 -1.438,438 -0.5,439 -1.452,440 1,441 -1.028,442 -1.893,443 -2.212,444 -0.889,445 -5.418,446 -1.628,447 -0.819,448 -2,449 0.444,450 -1.044,451 -2,452 -3,453 -1.704,454 -5.878,455 -1.937,474 5.967,475 0.459,476 0.408,477 0.031,478 15.75,479 1.212,480 7,481 0.538,482 8.75,483 0.673,484 7.334,485 0.564,486 15.333,487 0.59,488 10.308,489 0.793,490 3.517,491 0.271,492 2.575,493 0.198,494 0.307,496 0.302,501 0.811,502 1.983,503 0.83,504 1.54,505 0.606,506 1.231,507 0.818,508 0.604,509 0.803,510 0.539,511 0.456,512 0.606,513 1.001,514 1.472,515 1.115,516 1.587,517 0.861,518 1.416,519 1.866,520 0.745,521 1.102,522 0.687,523 1.915,524 0.754,525 1.459,526 0.812,527 1.209,528 0.873,529 1.538,530 0.992,531 0.715,532 1.687,533 1.138,534 1.605,535 1.031,536 1.483,537 1.174,538 0.468,539 1.228,540 0.578,541 1.384,542 0.837,543 0.106,544 1.425,545 1.221,546 1.757,547 0.25,548 1.747,549 3.5,551 1.333,552 0.75,553 0.582,554 0.285,555 0.204,556 0.056,559 931,560 2599,561 1.831,562 50,564 11,566 2,572 1.482,573 1.66,574 2.645,575 -0.673,579 1,582 41.576,583 1.599,584 2.959,585 3.372,586 3.844,587 3.844,588 3.844,589 1.95,590 3.547,591 3.676,592 2.702,593 210.792,594 6.079,595 1592.65,597 1,600 122.211,601 1.577,602 3.584,603 0.269,605 0.078,606 0.05,607 0.053,608 0.028,609 0.026,610 0.014,613 0.518,614 0.83,615 1,616 1.662,617 47.829,618 -0.026,619 -0.671,620 0.063,621 -0.371,622 -0.068,623 -0.172,624 0.243,625 0.53,626 0.192,627 0.376,628 0.229,629 0.309,630 0.003,631 -0.365,632 -0.191,633 -0.466,634 -0.01,635 -0.384,636 -0.329,637 0.019,638 -0.036,639 0.176,640 -0.24,641 0.13,642 -0.143,643 0.226,644 -0.206,645 0.101,646 -0.169,647 -0.06,648 -0.044,649 -0.602,650 -0.253,651 -0.539,652 -0.043,653 -0.46,654 -0.285,655 0.406,656 -0.249,657 0.222,658 -0.218,659 0.04,660 0.123,661 -0.551,662 -0.407,663 -0.703,664 -0.022,665 -0.681,666 2.036,667 4.118,668 0.462,669 6.331,670 1.008,671 1.142,672 0.315,673 0.099,674 0.62,675 2.639,676 2.89,677 2.944,678 2.996,679 3.091,680 2.89,681 2.639,682 2.398,683 1.946,685 3.799,686 0.591,687 181.24,688 2.639,689 4.111,690 4.875,691 5.694,692 6.482,693 7.302,694 8.097,695 8.917,696 9.714,697 10.535,698 7.7,705 1,708 1,715 4,720 1,721 1,722 6,737 1,741 26,743 7,745 13,747 26,748 9,749 5,756 1,757 1,772 6,773 3,777 1,782 1,786 1,790 1,793 13,794 3,796 4,802 2,803 1,808 1,809 2,822 1,829 1,859 1,864 3,868 13,878 1,881 1,893 7.7,896 1,898 1,901 7.833,902 5.617,903 2.944,904 1.381,907 1.273,908 1.255,909 0.888,910 3.253,911 6.27,912 2.89,913 3.384,914 3.744,915 4.137,916 4.557,917 4.414,918 4.243,919 4.407,920 3.726,922 0.75,923 15,924 4.751,925 -0.003,926 1.809,927 0.026,929 7.949,931 8.826,932 -0.001,933 6.264,934 -0.002,936 2.449,937 31.833,938 0.005,941 153.024,942 74.242,943 5.023,945 36.145,948 74.242,949 189.169,950 5.023,951 25.189,952 3.124,953 18.952,954 50.586,955 34.338,956 6.763,957 129.482,959 153.024,960 79.266,961 36.145,964 153.024,965 36.145,968 21.219,969 56.148,970 1.899,972 153.024,973 41.168,974 74.242,977 153.024,978 12.006,979 67.26,981 36.145,982 153.024,983 41.168,984 74.242,986 0.577,987 0.305,988 0.13,989 0.071,990 7,991 4,992 0.077,993 2,995 1,996 2.446,997 69.714,999 6,1000 40.106,1005 9.993,1006 4.232,1007 3.028,1009 39.269,1010 7.161,1015 0.545,1016 1.818,1018 268.435,1019 17,1024 11.118,1028 -0.369,1031 26.218,1032 29.699,1034 0.34,1035 0.629,1036 0.717,1037 0.818,1038 0.818,1039 0.818,1040 4.069,1041 -1,1042 4.86,1043 -1.025,1044 3.555,1045 4.06,1046 2.32,1047 5.549,1048 3.412,1049 5.254,1050 -1,1051 6.365,1052 -2,1053 3.219,1054 3.829,1055 1.847,1056 6.236,1057 2.982,1058 6.524,1059 -1.362,1060 7.963,1061 -2.57,1062 5.043,1063 6.099,1064 3.527,1065 9.184,1066 4.74,1067 7.823,1068 -1.496,1069 9.609,1070 -3.396,1071 5.398,1072 6.525,1073 3.656,1074 10.569,1075 4.992,1076 9.145,1077 -1.893,1078 11.282,1079 -4.209,1080 6.781,1081 8.383,1082 4.955,1083 13.05,1084 6.317,1085 10.482,1086 -2,1087 12.972,1088 -5.418,1089 7.452,1090 9.128,1091 5.37,1092 14.751,1093 6.884,1094 11.83,1096 14.675,1097 -5.878,1098 8.64,1099 10.787,1100 6.458,1101 17.028,1102 8.014,1103 2.773,1105 16.386,1107 9.467,1108 11.716,1109 7.028,1110 18.895,1111 8.739,1112 2.496,1113 8.01,1114 18.104,1116 10.562,1117 13.258,1118 7.994,1119 21.071,1120 9.772,1121 1.919,1122 6.892,1123 19.828,1124 3.665,1125 11.472,1126 14.305,1127 8.654,1128 23.029,1129 10.581,1130 1.22,1131 5.195,1132 21.555,1133 3.024,1134 12.521,1135 15.769,1136 9.549,1137 25.154,1138 11.564,1139 1,1140 2.665,1141 23.287,1142 2.466,1143 13.475,1144 16.897,1145 10.263,1146 27.163,1147 12.42,1148 -0.22,1149 2.272,1150 25.021,1151 1.743,1152 14.502,1153 18.308,1154 11.116,1155 29.262,1156 13.376,1157 -0.438,1158 -0.538,1159 26.758,1160 1.191,1161 15.48,1162 19.49,1163 11.862,1164 31.3,1165 14.26,1166 1058,1167 1843,1168 7.86,1169 16.108,1170 19.123,1171 20.004,1172 19.718,1173 18.854,1174 18.814,1175 24.18,1176 5.986,1177 50.067,1178 17.51,1179 4.91,1180 5.762,1181 5.385,1182 4.741,1183 4.773,1184 6.665,1185 3.912,1186 13.888,1187 4.487,1188 7.812,1189 1.471,1190 1.539,1191 1.517,1192 1.45,1193 1.447,1194 1.86,1195 0.46,1196 3.851,1197 1.347,1198 3.948,1199 3.994,1200 3.888,1201 3.794,1202 7.433,1203 3.81,1204 3.62,1205 3.688,1206 3.529,1207 3.331,1208 4.859,1209 3.366,1210 3.205,1211 3.286,1212 3.034,1213 2.979,1214 4.318,1215 2.975,1216 3.022,1217 3.051,1218 2.867,1219 2.784,1220 4.108,1221 2.797,1222 2.874,1223 3.009,1224 2.602,1225 2.618,1226 3.873,1227 2.57,1228 2.732,1229 2.776,1230 2.499,1231 2.494,1232 3.467,1233 2.525,1234 2.496,1235 2.609,1236 2.203,1237 2.25,1238 3.282,1239 2.225,1240 1.641,1241 1.767,1242 1.462,1243 1.179,1244 3.123,1245 1.172,1246 0.315,1247 0.289,1248 0.448,1249 0.284,1250 0.213,1251 4.092,1252 0.282,1253 3.762,1254 0.17,1255 5.828,1256 0.616,1257 3.698,1258 0.196,1259 2.773,1260 3.665,1261 2.208,1262 8.01,1263 2.55,1264 1.877,1265 1.836,1266 2.002,1267 2.058,1268 1.065,1269 2.043,1270 1.515,1271 1.439,1272 1.783,1273 1.819,1274 0.834,1275 1.807,1276 1.191,1277 1.101,1278 1.534,1279 1.445,1280 0.586,1281 1.476,1282 0.934,1283 0.895,1284 1.417,1285 1.239,1286 0.469,1287 1.308,1288 0.926,1289 0.804,1290 1.137,1291 1.225,1292 0.17,1293 1.185,1294 0.656,1295 0.624,1296 0.92,1297 0.934,1299 0.941,1300 0.505,1301 0.398,1302 0.806,1303 0.798,1305 0.83,1308 0.339,1309 0.098,1311 0.19,1312 3.296,1314 4.554,1316 5.989,1318 7.499,1320 9.045,1322 5.156,1330 5.023,1333 1.382,1340 15.37,1341 41.576,1342 76.927,1343 87.682,1344 99.947,1345 99.947,1346 99.947,1347 16.384,1348 4.997,1349 33.42,1350 33.42,1351 6,1352 11.121,1353 3,1354 2.322,1355 24.87,1356 29,1357 22,1358 0.445,1359 101.043,1360 171.34,1361 238.306,1362 609,1364 9.845,1365 0.757,1366 0.621,1367 9.845,1368 8.073,1369 6.092,1370 0.469,1371 0.312,1372 3.937,1373 5.683,1374 3.73,1375 3.229,1376 6.092,1377 4.052,1378 5.595,1379 0.329,1380 0.181,1381 5.595,1382 3.079,1383 3.888,1384 0.216,1385 0.087,1386 3.888,1387 1.56,1388 2.572,1389 0.135,1390 0.046,1391 2.572,1392 0.871,1393 1.873,1394 0.089,1395 0.025,1396 1.873,1397 0.528,1398 0.667,1399 39.388,1400 0.357,1401 13.243,1402 1.288,1403 60,1404 213.449,1405 70.25,1406 199.388,1407 261.42,1408 184,1409 65,1410 186.994,1411 75.365,1412 188.932,1413 266.79,1414 172,1415 4.398}
{0 CHEMBL82810,1 1.477,2 13.25,3 5.074,4 25.742,5 113.955,6 7.344,7 0.516,8 4.073,9 4.177,10 3.681,11 3.672,12 5.085,13 3.613,14 4.626,15 4.796,16 4.015,17 4.061,18 5.55,19 3.967,20 4.819,21 5.013,22 4.071,23 4.163,24 5.771,25 4.04,26 4.868,27 5.082,28 3.978,29 4.136,30 5.794,31 4,32 4.843,33 5.072,34 3.901,35 4.072,36 5.762,37 3.931,38 4.738,39 4.958,40 3.768,41 4.012,42 5.687,43 3.842,44 4.659,45 4.906,46 3.623,47 3.872,48 5.585,49 3.679,50 4.429,51 4.65,52 3.494,53 3.688,54 5.319,55 3.56,56 0.021,57 0.717,58 12.144,59 5.722,60 7.885,61 7.145,62 0.2,63 1.201,64 24.123,65 9.713,66 19.221,67 12.028,68 0.33,69 1.433,70 31.798,71 12.218,72 33.183,73 15.272,74 0.266,75 1.481,76 34.134,77 12.761,78 36.176,79 16.015,80 0.307,81 1.414,82 33.323,83 12.276,84 38.248,85 15.508,86 0.209,87 1.297,88 30.09,89 11.692,90 36.532,91 14.606,92 0.441,93 1.184,94 30.28,95 11.161,96 47.045,97 14.08,98 0.166,99 0.94,100 21.472,101 8.054,102 19.978,103 10.441,104 14,105 43,106 0.244,107 0.564,108 0.748,109 0.813,110 0.819,111 0.825,112 3.374,113 1.04,114 -4.46,115 -4.39,116 -4.13,121 42.6,123 5,124 1,126 2,127 1,144 5,145 2,146 2,147 2,154 2,159 1,176 10,180 3,187 11,189 3,191 1,192 6,200 7,203 3,206 5,214 5,216 2,219 6,227 10,229 1,239 12,243 2,244 2,246 1,251 8,256 2,264 7,266 2,269 3,277 1,279 1,281 1292,282 19.29,283 19.29,284 19.29,285 19.29,286 19.29,287 17.365,288 17.687,289 11.263,290 19.874,291 15.191,292 15.191,293 15.191,294 15.191,295 15.191,296 12.023,297 14.306,298 5.218,299 15.959,300 4.278,301 2.347,302 1.234,303 0.843,304 0.806,305 0.769,306 4.068,311 1,312 1,313 812,314 3.464,316 78.943,317 67.603,318 185.588,321 128.139,325 2.125,326 20.535,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 59.5,338 371,339 4.565,340 3.615,341 6.437,342 4.067,343 3.12,344 4.502,345 1.277,346 10.099,347 2.95,348 4.093,349 3.241,350 6.068,351 3.733,352 2.765,353 3.646,354 0.86,355 8.762,356 2.686,357 4.045,358 2.85,359 5.709,360 3.685,361 2.726,362 3.571,363 0.86,364 7.83,365 2.628,366 3.713,367 2.716,368 5.629,369 3.494,370 2.505,371 3.049,373 7.465,374 2.472,375 3.622,376 2.614,377 5.342,378 3.287,379 2.312,380 2.825,382 6.954,383 2.224,384 3.317,385 2.215,386 4.978,387 3.015,388 2.064,389 2.471,391 5.931,392 1.952,393 3.178,394 2.212,395 4.717,396 2.698,397 1.771,398 2.425,400 5.118,401 1.628,402 2.7,403 1.653,404 4.114,405 2.246,406 1.284,407 1.709,409 3.485,410 1.213,411 2.5,412 1.427,413 3.943,414 1.984,415 1.136,416 1.5,418 2.841,419 0.983,420 2.399,421 1.13,422 3.414,423 1.983,424 1,425 1.376,427 2.275,428 0.946,429 1.931,430 1.001,431 3.269,432 1.807,433 0.815,434 0.867,436 1.883,437 0.806,438 1.728,439 1,440 3.01,441 1.503,442 0.49,443 0.581,445 1.116,446 0.489,447 1.554,448 0.794,449 2.887,450 1.208,451 0.354,452 0.39,454 0.483,455 0.3,456 1.485,457 0.518,458 2.739,459 1.121,460 0.241,461 0.311,463 0.458,464 0.209,465 1.08,466 0.247,467 2.618,468 1,474 13.733,475 0.49,476 0.601,477 0.021,478 33,479 1.179,480 15.5,481 0.554,482 17.5,483 0.625,484 25.666,485 0.917,486 30.367,487 0.562,488 22.404,489 0.8,490 6.058,491 0.216,492 7.598,493 0.271,494 0.097,496 0.32,501 0.754,502 1.199,503 0.775,504 1.024,505 0.56,506 0.982,507 1.177,508 0.921,509 0.898,510 0.842,511 0.715,512 0.875,513 0.86,514 1.069,515 1.006,516 1.068,517 0.969,518 1.017,519 1.003,520 1.082,521 1.065,522 1.111,523 1.17,524 1.05,525 1.086,526 0.95,527 0.982,528 0.981,529 0.87,530 0.96,531 0.924,532 1.094,533 1.159,534 1.151,535 1.486,536 1.121,537 0.458,538 0.978,539 1.156,540 1.121,541 0.834,542 1.002,543 0.946,544 1.071,545 0.972,546 1.056,547 0.872,548 1,549 6,550 0.172,551 2.778,552 1.729,553 1.623,554 0.889,555 0.6,556 0.35,557 0.167,558 0.142,559 11532,560 25430,561 2.115,562 48.1,563 8,564 13,566 2,568 2,569 1,572 1.704,573 2,574 3.682,575 -0.813,582 79.756,583 1.477,584 3.408,585 4.521,586 4.912,587 4.949,588 4.986,589 3.128,590 3.995,591 4.776,592 3.858,593 1458.22,594 8.269,595 20275.9,597 1,600 310.764,601 1.333,602 4.748,603 0.194,604 0.008,605 0.068,606 0.042,607 0.044,608 0.026,609 0.021,610 0.014,611 0.007,612 0.007,613 0.43,614 0.17,615 1,616 0.789,617 144.041,618 0.013,619 -0.101,620 0.084,621 -0.012,622 0.028,623 0.012,624 -0.124,625 0.141,626 0.066,627 0.156,628 -0.002,629 0.095,630 0.089,631 -0.038,632 0.025,633 -0.036,634 0.036,635 -0.029,636 -0.035,637 -0.073,638 -0.036,639 -0.095,640 -0.063,641 -0.065,642 -0.053,643 0.034,644 0.021,645 0.006,646 0.054,647 0.019,648 -0.063,649 -0.098,650 -0.098,651 -0.103,652 -0.067,653 -0.119,654 0.347,655 0.004,656 0.008,657 -0.023,658 0.245,659 0.018,660 -0.018,661 -0.098,662 -0.01,663 -0.072,664 0.069,665 -0.011,666 1.481,667 5.698,668 0.679,669 31.163,670 0.995,671 1.115,672 3.227,673 10.416,674 0.677,675 3.466,676 3.784,677 4.06,678 4.248,679 4.477,680 4.564,681 4.654,682 4.771,683 4.718,684 4.625,685 7.67,686 0.628,687 396.57,688 3.466,689 5.004,690 5.855,691 6.727,692 7.594,693 8.47,694 9.343,695 10.222,696 11.099,697 11.979,698 1.9,708 1,714 2,715 7,719 1,720 4,721 1,722 16,727 1,739 2,741 54,743 17,744 1,745 31,747 57,748 23,749 13,750 4,751 2,752 1,756 4,757 5,767 3,768 1,770 5,772 14,773 9,774 1,777 1,782 1,786 1,793 26,794 3,796 5,797 1,802 1,803 1,808 0.75,809 3,822 1,827 1,828 1,829 2,832 1,859 3,862 1,864 2,868 28,876 6,878 2,880 1,888 1,893 5.6,896 1,898 2,901 14,902 10.333,903 6.25,904 3.41,907 3.046,908 1.403,909 0.984,910 6.075,911 10.606,912 3.714,913 4.314,914 4.91,915 5.474,916 6.041,917 6.372,918 6.712,919 7.079,920 7.064,921 7.046,922 0.889,923 41,924 10.402,926 4.397,927 0.026,929 7.565,931 20.444,933 17.166,936 2.065,937 57.833,940 1,941 306.049,942 156.781,943 1.899,945 47.145,947 31.278,948 125.504,949 353.193,950 1.899,951 21.766,952 14.778,953 47.381,954 55.72,955 56.34,956 2.104,957 313.784,959 306.049,960 127.403,961 47.145,962 31.278,964 294.278,965 58.916,968 32.873,969 92.63,970 1.899,971 31.278,972 306.049,973 49.044,974 156.781,977 306.049,978 69.539,979 89.141,981 47.145,982 306.049,983 49.044,984 156.781,986 0.577,987 0.346,988 0.173,989 0.096,990 21,991 9,992 0.14,993 8,994 1,995 1.105,996 4.172,997 234.074,998 0.105,999 19,1000 128.606,1001 1,1005 19.533,1006 8.708,1007 4.467,1008 2.056,1009 47.145,1010 14.417,1014 1.518,1015 3.38,1016 2.266,1018 511.874,1019 40,1024 12.698,1028 0.185,1031 53.705,1032 60.237,1034 0.257,1035 0.592,1036 0.786,1037 0.854,1038 0.86,1039 0.866,1040 4.949,1041 1.284,1042 5.832,1043 5.118,1044 4.466,1045 5.001,1046 1.977,1047 6.621,1048 4.377,1049 6.146,1050 1.136,1051 7.377,1052 3.485,1053 4.007,1054 4.844,1056 7.445,1057 3.883,1058 7.458,1059 1,1060 9.016,1061 2.841,1062 6.066,1063 7.225,1064 2.142,1065 10.514,1066 5.905,1067 8.802,1068 0.815,1069 10.708,1070 2.275,1071 6.415,1072 7.905,1074 12.128,1075 6.201,1076 10.177,1077 0.49,1078 12.433,1079 1.883,1080 7.909,1081 9.757,1082 2.426,1083 14.691,1084 7.67,1085 11.573,1086 0.354,1087 14.181,1088 1.116,1089 8.633,1090 10.836,1092 16.655,1093 8.328,1094 12.984,1095 0.241,1096 15.943,1097 0.483,1098 9.894,1099 12.477,1100 2.796,1101 19.037,1102 9.563,1103 3.12,1105 17.718,1106 0.458,1107 10.807,1108 13.761,1110 21.169,1111 10.406,1112 2.765,1113 10.099,1114 19.502,1116 11.97,1117 15.312,1118 3.22,1119 23.487,1120 11.534,1121 2.726,1122 8.762,1123 21.294,1124 4.502,1125 12.979,1126 16.703,1128 25.702,1129 12.474,1130 2.505,1131 7.83,1132 23.093,1133 3.646,1134 14.103,1135 18.218,1136 3.675,1137 28,1138 13.555,1139 2.312,1140 7.465,1141 24.897,1142 3.571,1143 15.162,1144 19.662,1146 30.256,1147 14.547,1148 2.064,1149 6.954,1150 26.707,1151 3.049,1152 16.274,1153 21.165,1154 4.146,1155 32.55,1156 15.609,1157 1.771,1158 5.931,1159 28.521,1160 2.825,1161 17.36,1162 22.637,1164 34.828,1165 16.63,1166 10818,1167 16301,1168 20.978,1169 36.534,1170 45.531,1171 47.111,1172 46.901,1173 45.115,1174 45.164,1175 58.441,1176 5.995,1177 129.401,1178 42.971,1179 5.565,1180 5.615,1181 6.055,1182 5.184,1183 5.12,1184 7.502,1185 2.555,1186 16.854,1187 4.95,1188 12.164,1189 1.469,1190 1.52,1191 1.513,1192 1.455,1193 1.457,1194 1.885,1195 0.193,1196 4.174,1197 1.386,1198 4.099,1199 4.107,1200 4.339,1201 4.111,1202 7.427,1203 4.062,1204 4.002,1205 4.043,1206 3.93,1207 3.888,1208 4.969,1209 3.889,1210 3.821,1211 3.871,1212 3.698,1213 3.728,1214 4.777,1215 3.714,1216 3.613,1217 3.635,1218 3.62,1219 3.478,1220 4.527,1221 3.481,1222 3.396,1223 3.438,1224 3.362,1225 3.237,1226 4.496,1227 3.226,1228 3.249,1229 3.314,1230 3.078,1231 2.967,1232 4.257,1233 2.97,1234 3.132,1235 3.196,1236 3,1237 2.923,1238 3.915,1239 2.929,1240 2.962,1241 3.045,1242 2.895,1243 2.791,1244 3.753,1245 2.76,1246 0.147,1247 0.117,1248 0.208,1249 0.131,1250 0.101,1251 4.565,1252 0.145,1253 3.615,1254 0.041,1255 6.437,1256 0.326,1257 4.067,1258 0.095,1259 3.12,1260 4.502,1261 1.277,1262 10.099,1263 2.95,1264 1.974,1265 1.928,1266 2.144,1267 2.121,1268 1.535,1269 2.129,1270 1.908,1271 1.903,1272 2.016,1273 1.988,1274 1.243,1275 1.992,1276 1.841,1277 1.797,1278 1.961,1279 1.965,1280 1.14,1281 1.981,1282 1.618,1283 1.606,1284 1.748,1285 1.76,1286 0.965,1287 1.768,1288 1.311,1289 1.262,1290 1.579,1291 1.531,1292 0.702,1293 1.546,1294 1.219,1295 1.173,1296 1.571,1297 1.514,1298 0.589,1299 1.533,1300 1.182,1301 1.104,1302 1.423,1303 1.404,1304 0.577,1305 1.444,1306 1.027,1307 0.955,1308 1.321,1309 1.221,1310 0.556,1311 1.271,1312 4.143,1314 5.493,1315 2.398,1316 7.015,1317 4.727,1318 8.609,1319 6.843,1320 10.243,1322 3.247,1328 6.501,1330 10.715,1332 0.85,1340 33.938,1341 79.756,1342 184.037,1343 244.135,1344 265.254,1345 267.254,1346 269.254,1347 45.421,1348 7.561,1349 39.41,1350 67.65,1351 21,1352 12.516,1353 4.17,1354 3.322,1355 42.829,1356 129,1357 134,1358 0.159,1359 209.779,1360 360.4,1361 503.621,1362 21198,1364 19.51,1365 0.697,1366 0.618,1367 19.863,1368 17.311,1369 13.657,1370 0.441,1371 0.347,1372 9.869,1373 12.727,1374 9.516,1375 7.902,1376 14.065,1377 10.742,1378 12.034,1379 0.28,1380 0.202,1381 12.676,1382 8.68,1383 10.497,1384 0.184,1385 0.12,1386 11.334,1387 6.849,1388 7.949,1389 0.115,1390 0.067,1391 8.822,1392 4.593,1393 6.531,1394 0.075,1395 0.037,1396 7.341,1397 3.229,1398 0.259,1399 89.442,1400 0.218,1401 27.453,1402 0.412,1403 148,1404 390.4,1405 183.565,1406 392.016,1407 537.41,1408 370,1409 174,1410 373.724,1411 208.687,1412 397.479,1413 579.63,1414 372,1415 5.764}
{0 CHEMBL83005,1 1.483,2 13.129,3 2.462,4 6.062,5 123.703,6 7.223,7 0.471,8 4.194,9 4.301,10 3.774,11 3.755,12 5.225,13 3.702,14 4.773,15 4.944,16 4.186,17 4.193,18 5.716,19 4.121,20 5.068,21 5.241,22 4.269,23 4.397,24 6.055,25 4.281,26 5.27,27 5.521,28 4.191,29 4.411,30 6.182,31 4.251,32 5.188,33 5.441,34 4.194,35 4.325,36 6.104,37 4.184,38 5.061,39 5.265,40 4.025,41 4.313,42 6.037,43 4.136,44 5.059,45 5.331,46 3.868,47 4.172,48 5.939,49 3.979,50 4.774,51 4.984,52 3.795,53 3.951,54 5.83,55 3.837,56 0.033,57 0.82,58 14.149,59 6.438,60 12.258,61 8.04,62 0.254,63 1.407,64 28.126,65 10.823,66 22.624,67 13.6,68 0.425,69 1.816,70 39.443,71 15.222,72 51.311,73 19.042,74 0.548,75 2.1,76 50.796,77 18.463,78 76.757,79 24.34,80 0.509,81 1.911,82 47.126,83 16.444,84 66.406,85 21.415,86 0.423,87 1.77,88 44.45,89 16.341,90 61.732,91 19.796,92 0.458,93 1.705,94 44.34,95 15.775,96 61.375,97 20.89,98 0.332,99 1.248,100 28.778,101 10.567,102 56.564,103 13.4,104 30,105 50,106 0.24,107 0.56,108 0.744,109 0.802,110 0.814,111 0.82,112 3.472,113 1.023,114 -0.4,115 -0.54,116 -0.69,121 41,123 3,126 3,127 3,132 1,144 8,145 2,146 2,154 2,159 1,176 8,180 3,185 3,187 14,189 3,191 1,192 5,200 8,203 2,206 6,209 1,213 1,214 3,216 3,219 4,224 2,227 10,229 1,234 1,237 2,239 7,243 2,244 2,249 4,251 8,253 2,256 1,261 2,264 2,266 1,269 6,272 2,274 1,277 3,279 2,281 1609,282 20.687,283 20.687,284 20.687,285 20.687,286 20.687,287 18.735,288 23.26,289 11.811,290 21.341,291 16.632,292 16.632,293 16.632,294 16.632,295 16.632,296 13.53,297 30.455,298 5.451,299 17.557,300 4.448,301 2.463,302 1.328,303 0.968,304 0.89,305 0.857,306 4.162,311 1,312 1,313 879,314 4,317 75.346,318 322.484,321 143.509,325 2.142,326 31.294,329 1,330 1,331 1,332 0.9,333 0.5,334 1,335 1,336 0.91,337 66.5,338 407,339 4.571,340 3.767,341 7.095,342 4.356,343 3.412,344 4.502,345 1.277,346 12.22,347 3.233,348 4.419,349 3.642,350 6.889,351 4.104,352 3.166,353 3.598,354 1.26,355 11.576,356 2.962,357 4.194,358 3.303,359 6.431,360 4.025,361 3.083,362 3.537,363 0.86,364 10.082,365 2.894,366 4.02,367 3.223,368 6.054,369 3.645,370 2.701,371 3.335,372 0.86,373 8.717,374 2.552,375 3.784,376 2.708,377 5.688,378 3.395,379 2.404,380 3.097,381 0.245,382 7.371,383 2.375,384 3.633,385 2.578,386 5.295,387 3.242,388 2.262,389 2.902,391 6.782,392 2.189,393 3.178,394 2.215,395 4.717,396 2.698,397 1.771,398 2.471,400 5.118,401 1.628,402 2.874,403 1.652,404 4.166,405 2.439,406 1.442,407 2.029,409 3.26,410 1.437,411 2.636,412 1.536,413 4,414 2.121,415 1.144,416 1.595,418 3.069,419 1.092,420 2.5,421 1.427,422 3.943,423 2,424 1.136,425 1.5,427 2.841,428 1,429 2.399,430 1.077,431 3.716,432 1.984,433 1,434 1.376,436 2.472,437 0.983,438 2,439 1.003,440 3.373,441 1.978,442 1,443 1,445 2.136,446 0.939,447 1.554,448 1,449 3.247,450 1.382,451 0.413,452 0.433,454 1.014,455 0.395,456 1.493,457 0.733,458 3.143,459 1.209,460 0.359,461 0.39,463 0.488,464 0.303,465 1.48,466 0.518,467 3,468 1.121,469 0.241,470 0.311,472 0.458,473 0.209,474 15.067,475 0.486,476 0.93,477 0.03,478 36,479 1.161,480 16.5,481 0.532,482 19.5,483 0.629,484 31.986,485 1.032,486 34.433,487 0.564,488 27.401,489 0.884,490 6.991,491 0.226,492 7.837,493 0.253,494 0.144,495 0.06,496 0.232,501 0.839,502 1.264,503 0.807,504 1.053,505 0.743,506 1.005,507 1.164,508 0.847,509 0.856,510 0.768,511 0.719,512 0.785,513 1.062,514 1.198,515 1.132,516 1.183,517 1.212,518 1.19,519 0.739,520 1.021,521 0.906,522 1.015,523 0.829,524 0.992,525 1.04,526 0.854,527 0.805,528 0.834,529 1.119,530 0.84,531 1.091,532 1.206,533 1.508,534 1.368,535 1.641,536 1.266,537 0.407,538 1.047,539 1.025,540 1.143,541 0.539,542 0.987,543 1.463,544 1.008,545 0.955,546 0.922,547 1.875,548 1.008,549 9,550 0.112,551 4,552 2.479,553 2.685,554 0.875,555 1.077,556 0.52,557 0.35,558 0.351,559 13749,560 32881,561 2.05,562 49.2,564 23,567 1,568 2,570 4,572 1.733,573 1.898,574 3.675,575 -0.393,577 1,582 90.472,583 1.483,584 3.468,585 4.603,586 4.963,587 5.041,588 5.074,589 3.139,590 3.962,591 4.924,592 3.847,593 1789,594 8.581,595 25924.7,597 1,600 361.775,601 1.64,602 4.863,603 0.265,604 0.004,605 0.08,606 0.05,607 0.06,608 0.02,609 0.029,610 0.016,611 0.011,612 0.013,613 0.547,614 0.33,615 1,616 0.839,617 162.8,618 -0.024,619 -0.115,620 0.073,621 -0.005,622 -0.06,623 0.014,624 -0.13,625 0.271,626 0.11,627 0.234,628 0.001,629 0.191,630 -0.039,631 -0.142,632 -0.144,633 -0.153,634 -0.086,635 -0.2,636 0.111,637 -0.057,638 0.061,639 -0.044,640 0.114,641 -0.001,642 -0.024,643 0.106,644 0.165,645 0.115,646 -0.003,647 0.132,648 -0.114,649 -0.171,650 -0.299,651 -0.219,652 -0.22,653 -0.25,654 0.251,655 -0.093,656 0.06,657 -0.091,658 0.232,659 0.035,660 -0.165,661 -0.046,662 -0.052,663 -0.007,664 -0.158,665 -0.058,666 2.183,667 6.032,668 0.677,669 34.92,670 0.997,671 1.119,672 -0.825,673 0.681,674 0.664,675 3.555,676 3.932,677 4.174,678 4.431,679 4.7,680 4.718,681 4.86,682 4.997,683 4.942,684 5.011,685 7.631,686 0.618,687 440.63,688 3.555,689 5.13,690 5.984,691 6.889,692 7.763,693 8.668,694 9.553,695 10.456,696 11.347,697 12.25,698 1.6,712 1,714 2,715 8,719 1,720 4,722 16,727 1,739 2,741 61,743 17,744 2,745 34,747 64,748 25,749 14,750 5,751 7,752 1,756 4,757 5,767 2,768 1,770 3,772 15,773 10,774 1,777 1,782 1,786 1,790 1,793 30,794 4,795 1,796 6,797 1,802 1,803 1,807 1,808 0.75,809 4,812 1,828 1,829 3,832 1,857 1,859 3,862 1,864 3,868 31,875 1,876 6,878 2,882 1,883 1,888 1,893 6.6,894 1,896 1,898 2,901 16.333,902 11.783,903 6.75,904 3.64,907 2.801,908 1.358,909 0.925,910 6.382,911 10.627,912 3.784,913 4.391,914 4.935,915 5.51,916 6.049,917 6.336,918 6.705,919 7.079,920 7.015,921 7.034,922 0.889,923 50,924 11.574,926 4.997,927 0.026,929 7.669,931 22.404,933 18.934,936 2.169,937 67.25,940 1,941 341.362,942 174.654,945 89.828,947 31.278,948 143.376,949 431.19,951 30.162,952 13.921,953 118.493,954 30.278,955 38.245,956 2.104,957 372.64,959 341.362,960 143.376,961 89.828,962 31.278,964 294.278,965 94.229,966 42.683,968 13.921,969 129.456,971 31.278,972 341.362,973 89.828,974 174.654,977 341.362,978 68.681,979 105.972,981 89.828,982 341.362,983 89.828,984 174.654,986 0.592,987 0.346,988 0.181,989 0.106,990 25,991 11,992 0.109,993 7,994 1,995 1.095,996 4.197,997 280.035,998 0.095,999 21,1000 145.58,1001 1,1005 22.253,1006 8.891,1007 4.945,1008 1.928,1009 89.828,1010 16.156,1014 1.443,1015 3.277,1017 42.683,1018 605.844,1019 43,1024 13.032,1028 0.001,1031 60.8,1032 68.276,1034 0.25,1035 0.585,1036 0.776,1037 0.837,1038 0.85,1039 0.856,1040 5.063,1041 1.442,1042 6.038,1043 5.118,1044 4.615,1045 5.078,1046 2.271,1047 6.925,1048 4.514,1049 6.301,1050 1.144,1051 7.655,1052 3.26,1053 4.511,1054 5.047,1055 0.931,1056 8.264,1057 4.332,1058 7.648,1059 1.136,1060 9.381,1061 3.069,1062 6.372,1063 7.297,1064 2.428,1065 11.224,1066 6.166,1067 9.026,1068 1,1069 11.171,1070 2.841,1071 7.04,1072 8.026,1073 1.381,1074 13.305,1075 6.743,1076 10.432,1077 1,1078 13.002,1079 2.472,1080 8.443,1081 9.818,1082 2.737,1083 15.891,1084 8.119,1085 11.856,1086 0.413,1087 14.858,1088 2.136,1089 9.416,1090 10.906,1091 1.783,1092 18.222,1093 9.005,1094 13.293,1095 0.359,1096 16.733,1097 1.014,1098 10.669,1099 12.518,1100 3.126,1101 20.715,1102 10.22,1103 3.412,1104 0.241,1105 18.62,1106 0.488,1107 11.766,1108 13.798,1109 2.192,1110 23.135,1111 11.241,1112 3.166,1113 12.22,1114 20.517,1115 0.458,1116 12.971,1117 15.336,1118 3.559,1119 25.608,1120 12.399,1121 3.083,1122 11.576,1123 22.422,1124 4.502,1125 14.121,1126 16.72,1127 2.615,1128 28.062,1129 13.482,1130 2.701,1131 10.082,1132 24.333,1133 3.598,1134 15.313,1135 18.228,1136 4.015,1137 30.535,1138 14.623,1139 2.404,1140 8.717,1141 26.248,1142 3.537,1143 16.488,1144 19.669,1145 3.05,1146 33.003,1147 15.736,1148 2.262,1149 7.371,1150 28.168,1151 3.335,1152 17.68,1153 21.168,1154 4.483,1155 35.479,1156 16.875,1157 1.771,1158 6.782,1159 30.092,1160 3.097,1161 18.867,1162 22.638,1163 3.495,1164 37.955,1165 18.004,1166 13100,1167 20454,1168 22.246,1169 40.512,1170 51.533,1171 52.65,1172 53.273,1173 50.989,1174 51.066,1175 64.154,1176 9.005,1177 155.206,1178 48.379,1179 5.571,1180 5.767,1181 6.897,1182 5.475,1183 5.412,1184 7.502,1185 2.555,1186 19.143,1187 5.233,1188 16.371,1189 1.516,1190 1.549,1191 1.567,1192 1.5,1193 1.502,1194 1.887,1195 0.265,1196 4.565,1197 1.423,1198 4.103,1199 4.115,1200 4.34,1201 4.112,1202 7.427,1203 4.064,1204 4.001,1205 4.041,1206 3.921,1207 3.891,1208 6.445,1209 3.888,1210 3.84,1211 3.876,1212 3.752,1213 3.738,1214 4.968,1215 3.737,1216 3.607,1217 3.635,1218 3.616,1219 3.459,1220 4.756,1221 3.462,1222 3.433,1223 3.469,1224 3.394,1225 3.261,1226 4.527,1227 3.258,1228 3.249,1229 3.314,1230 3.084,1231 2.969,1232 4.496,1233 2.974,1234 3.185,1235 3.24,1236 3.053,1237 2.966,1238 4.319,1239 2.969,1240 3.111,1241 3.206,1242 2.895,1243 2.941,1244 3.817,1245 2.91,1246 0.134,1247 0.111,1248 0.209,1249 0.128,1250 0.1,1251 4.571,1252 0.132,1253 3.767,1254 0.038,1255 7.095,1256 0.359,1257 4.356,1258 0.095,1259 3.412,1260 4.502,1261 1.277,1262 12.22,1263 3.233,1264 1.968,1265 1.924,1266 2.128,1267 2.138,1268 1.504,1269 2.139,1270 1.908,1271 1.903,1272 2,1273 1.987,1274 1.167,1275 1.984,1276 1.846,1277 1.81,1278 1.962,1279 1.952,1280 1.14,1281 1.97,1282 1.598,1283 1.58,1284 1.739,1285 1.759,1286 0.973,1287 1.762,1288 1.362,1289 1.315,1290 1.586,1291 1.551,1292 0.825,1293 1.565,1294 1.223,1295 1.177,1296 1.572,1297 1.518,1298 0.743,1299 1.535,1300 1.187,1301 1.11,1302 1.513,1303 1.468,1304 0.585,1305 1.502,1306 1.153,1307 1.064,1308 1.503,1309 1.376,1310 0.576,1311 1.429,1312 4.234,1314 5.595,1315 2.398,1316 7.146,1317 4.727,1318 8.778,1319 6.843,1320 10.453,1322 5.442,1327 11.174,1328 4.104,1330 10.735,1334 -0.933,1335 0.892,1340 37.706,1341 90.472,1342 211.536,1343 280.755,1344 302.755,1345 307.51,1346 309.51,1347 68.409,1348 7.825,1349 55.76,1350 84,1351 23,1352 12.772,1353 4.17,1354 3.322,1355 49.704,1356 143,1357 139,1358 0.17,1359 232.96,1360 403.79,1361 560.183,1362 28426,1364 22.062,1365 0.712,1366 0.621,1367 22.416,1368 19.258,1369 14.828,1370 0.436,1371 0.341,1372 10.689,1373 13.807,1374 10.256,1375 8.515,1376 15.237,1377 11.598,1378 14.071,1379 0.281,1380 0.205,1381 14.713,1382 10.237,1383 11.594,1384 0.181,1385 0.122,1386 12.431,1387 7.787,1388 9.361,1389 0.113,1390 0.068,1391 10.216,1392 5.661,1393 8.058,1394 0.074,1395 0.042,1396 8.925,1397 4.594,1398 0.272,1399 97.141,1400 0.212,1401 29.435,1402 0.451,1403 168,1404 440.55,1405 206.694,1406 439.999,1407 595.78,1408 412,1409 198,1410 412.472,1411 236.178,1412 438.407,1413 637.89,1414 408,1415 5.025}
{0 CHEMBL8320,1 1.459,2 3.75,3 0.408,4 0.166,5 31.329,6 9.008,8 2.597,9 2.657,10 2.303,11 2.244,12 3.983,13 2.25,14 2.988,15 3.068,16 2.565,17 2.473,18 4.533,19 2.482,20 3.162,21 3.305,22 2.348,23 2.287,24 4.722,25 2.288,26 2.653,27 2.834,28 1.496,29 1.485,30 4.133,31 1.476,32 1.512,33 1.683,34 1.026,35 0.403,36 3.951,37 0.501,56 0.041,57 0.13,58 1.332,59 1.061,60 11.432,61 1.04,62 0.075,63 0.195,64 2.288,65 1.592,66 16.938,67 1.564,68 0.198,69 0.228,70 4.539,71 1.853,72 46.654,73 1.714,74 0.16,75 0.13,76 3.395,77 1.057,78 40.148,79 0.932,80 0.103,81 0.033,82 1.226,83 0.269,84 24.926,85 0.394,104 5,105 10,106 0.365,107 0.48,108 0.48,109 0.48,110 0.48,111 0.48,112 2.262,113 0.836,114 -1.64,115 -1.71,116 -1.74,121 50,137 4,158 2,176 2,180 4,187 2,192 4,200 2,218 1,281 12,282 5.138,283 5.138,284 5.138,285 5.138,286 5.138,287 4.617,288 2.582,289 3.145,290 5.064,291 3.933,292 3.933,293 3.933,294 3.933,295 3.933,296 2.93,297 0.833,298 1.52,299 3.787,300 2.126,301 1.667,302 1.667,303 1.667,304 1.667,305 1.667,306 2.805,312 1,313 58,314 1,318 22.133,325 0.75,326 13.131,329 1,330 0.67,331 0.83,332 0.4,334 1,335 1,336 0.7,337 18,338 30,339 4,340 3.462,341 5.236,342 3.602,343 2.562,344 3.372,346 6.623,347 2.656,348 3.414,349 3.278,350 4.732,351 3.07,352 2,353 2.562,355 5.275,356 2.128,357 2.732,358 1.147,359 3.414,360 2,361 1,362 1.562,364 2.275,365 1,366 2,367 1,368 2,369 1.102,375 0.586,376 0.122,377 2,378 0.13,379 -1,380 -1,382 -2.275,383 -1,385 -1,386 1.268,388 -1,389 -1.562,391 -3,392 -1.128,394 -1.209,395 0.764,396 -0.504,397 -1.562,398 -2.372,400 -3.623,401 -1.656,402 -0.732,403 -2,404 0.586,405 -1,406 -2,407 -2.562,409 -5.275,410 -2,474 3.667,475 0.458,476 0.212,477 0.027,478 10.5,479 1.313,480 6,481 0.75,482 4.5,483 0.563,484 2.818,485 0.352,486 8.333,487 0.694,488 5.576,489 0.697,490 2.384,491 0.298,492 1.404,493 0.175,494 0.182,496 0.273,501 0.49,502 0.917,503 0.58,504 0.914,505 0.542,506 0.821,507 0.654,508 1.222,509 0.773,510 1.218,511 0.626,512 1.095,513 1.291,514 1.048,515 1.24,516 1.049,517 1.262,518 1.102,519 1.77,520 0.917,521 1.59,522 0.923,523 1.811,524 1.108,549 2,551 0.889,552 0.25,553 0.302,559 222,560 1080,561 1.861,562 33.3,564 4,572 1.3,573 1.714,574 2.117,575 -0.71,582 17.51,583 1.459,584 1.918,585 1.918,586 1.918,587 1.918,588 1.918,589 1.5,590 0.811,591 2.981,592 1.991,593 55.735,594 4.649,595 288.266,600 43.02,601 1.5,602 2.906,603 0.25,605 0.089,606 0.036,607 0.151,613 0.526,614 1,615 1,616 0.875,617 21.826,622 -0.053,624 -0.023,625 -0.333,626 -0.088,627 -0.331,628 0.01,629 -0.264,630 -0.276,631 -0.143,632 -0.248,633 -0.144,634 -0.244,635 -0.173,636 -0.465,638 -0.367,639 -0.003,640 -0.514,641 -0.104,642 1.93,643 1,644 1.735,645 1.007,646 1.923,647 1.209,666 1.787,667 3.283,668 0.75,669 2.25,670 1.035,671 1.104,672 0.411,673 0.169,674 0.703,675 2.197,676 2.398,677 2.398,678 2.398,679 2.565,680 1.609,685 2.449,686 0.707,687 108.1,688 2.197,689 3.611,690 4.344,691 5.13,692 5.889,693 6.671,694 7.439,695 8.217,696 8.989,697 9.766,741 12,743 4,745 8,747 12,748 6,752 6,756 1,757 1,772 6,777 4,782 2,784 4,786 2,793 4,794 2,796 2,808 1,809 2,829 1,841 2,849 4,859 1,868 8,893 16.7,896 2,901 4.667,902 2.167,903 1.833,904 0.639,907 1.066,908 1.257,909 0.903,910 1.086,911 5.209,912 2.565,913 2.944,914 3.367,915 3.497,916 3.97,917 3.497,922 0.667,923 7,924 2.905,925 0.065,926 1.177,927 0.083,929 8.667,931 5.134,932 0.03,933 3.776,934 0.048,935 0.002,936 3.167,937 25.333,938 0.021,941 47.084,942 48.172,945 50.29,948 48.172,949 97.374,953 37.905,954 60.557,957 47.084,959 47.084,960 48.172,961 50.29,964 47.084,965 50.29,969 10.267,970 37.905,972 47.084,973 50.29,974 48.172,977 47.084,978 10.267,979 37.905,981 50.29,982 47.084,983 50.29,984 48.172,986 0.567,987 0.288,988 0.122,989 0.08,990 5,991 2,995 1,996 1.924,997 33.373,999 6,1000 12,1005 4.978,1006 1.745,1007 1.147,1009 50.29,1018 145.546,1019 12,1024 20.566,1026 5.009,1028 -0.241,1031 12.422,1032 13.249,1034 0.407,1035 0.535,1036 0.535,1037 0.535,1038 0.535,1039 0.535,1040 3.714,1041 -2,1042 4.29,1043 -3.623,1044 3.045,1045 3.611,1047 4.89,1048 3.118,1049 4.89,1051 5.733,1052 -5.275,1053 2.565,1054 3.219,1056 5.38,1057 2.734,1058 6.142,1060 7.262,1062 4.443,1063 5.565,1065 8.238,1066 4.589,1067 7.422,1069 8.831,1071 4.615,1072 5.889,1074 9.383,1075 4.872,1076 8.726,1078 10.421,1080 6.061,1081 7.716,1083 11.781,1084 6.28,1085 10.046,1087 12.024,1089 6.553,1090 8.42,1092 13.216,1093 6.875,1094 11.378,1096 13.636,1098 7.785,1099 9.976,1101 15.413,1102 8.076,1103 2.562,1105 15.253,1107 8.454,1108 10.897,1110 17.01,1111 8.835,1112 2,1113 6.623,1114 16.876,1116 9.568,1117 12.303,1119 19.095,1120 9.932,1121 1,1122 5.275,1123 18.502,1124 3.372,1125 10.342,1126 13.35,1128 20.795,1129 10.783,1131 2.275,1132 20.131,1133 2.562,1134 11.388,1135 14.672,1137 22.811,1138 11.825,1139 -1,1141 21.763,1142 1.562,1143 12.226,1144 15.792,1146 24.578,1147 12.729,1148 -1,1149 -2.275,1150 23.397,1152 13.23,1153 17.067,1155 26.548,1156 13.74,1157 -1.562,1158 -3,1159 25.033,1160 -1,1161 14.109,1162 18.229,1164 28.359,1165 14.675,1166 274,1167 634,1168 4.97,1169 8.432,1170 12.293,1171 12.973,1172 11.765,1173 11.147,1174 11.123,1175 14.991,1177 28.347,1178 11.569,1179 4.732,1180 5.462,1181 4.65,1182 4.602,1183 4.562,1184 5.934,1186 11.898,1187 4.656,1188 3.627,1189 1.537,1190 1.622,1191 1.471,1192 1.393,1193 1.39,1194 1.874,1196 3.543,1197 1.446,1198 3.863,1199 3.874,1200 3.811,1201 3.755,1202 7.439,1203 3.765,1204 3.035,1205 3.063,1206 3.018,1207 2.893,1208 7.419,1209 2.875,1210 2.999,1211 3.003,1212 2.849,1213 2.749,1214 4.345,1215 2.814,1216 2.157,1217 2.148,1218 2.061,1219 1.676,1220 3.838,1221 1.773,1222 1.554,1223 1.762,1224 1.059,1225 1.151,1226 2.645,1227 1.074,1228 1.515,1229 1.677,1230 0.961,1231 1.011,1232 1.911,1233 0.994,1234 0.507,1235 0.671,1238 1.118,1240 0.354,1241 0.556,1244 1.101,1246 0.5,1247 0.433,1248 0.655,1249 0.45,1250 0.32,1251 4,1252 0.422,1253 3.462,1255 5.236,1256 0.828,1257 3.602,1258 0.332,1259 2.562,1260 3.372,1262 6.623,1263 2.656,1264 1.812,1265 1.797,1266 1.919,1267 1.941,1268 0.916,1269 1.931,1270 1.028,1271 0.969,1272 1.292,1273 1.186,1274 0.326,1275 1.226,1276 0.837,1277 0.855,1278 0.935,1279 1.15,1281 1.065,1284 0.354,1285 0.401,1287 0.315,1290 0.158,1291 0.101,1293 0.2,1296 0.1,1297 0.025,1299 0.073,1312 2.833,1314 4.043,1316 5.451,1318 6.94,1320 8.463,1340 8.483,1341 17.51,1342 23.02,1343 23.02,1344 23.02,1345 23.02,1346 23.02,1347 10.152,1348 4.143,1349 34.14,1350 34.14,1351 6,1352 10.383,1353 2.322,1354 2.322,1355 12.023,1356 14,1357 6,1358 0.597,1359 57.214,1360 107.02,1361 131.362,1362 182,1364 5.983,1365 0.748,1366 0.516,1367 5.983,1368 4.126,1369 3.788,1370 0.473,1371 0.279,1372 2.202,1373 3.645,1374 2.158,1375 1.799,1376 3.788,1377 2.23,1378 3.365,1379 0.337,1380 0.147,1381 3.365,1382 1.471,1383 2.305,1384 0.23,1385 0.082,1386 2.305,1387 0.824,1388 1.427,1389 0.143,1390 0.044,1391 1.427,1392 0.44,1393 1.305,1394 0.109,1395 0.023,1396 1.305,1397 0.273,1398 0.823,1399 23.881,1400 0.449,1401 7.663,1402 1.848,1403 36,1404 163.471,1405 40.207,1406 153.727,1407 190.76,1408 140,1409 38,1410 121.273,1411 41.322,1412 121.954,1413 170.9,1414 114,1415 6.02}
{0 CHEMBL85404,1 1.396,2 6.545,3 0.088,4 0.008,5 85.103,6 6.575,7 0.24,8 3.936,9 4.051,10 3.414,11 3.424,12 4.883,13 3.396,14 4.566,15 4.747,16 3.865,17 3.923,18 5.435,19 3.885,20 4.916,21 5.093,22 4.061,23 4.244,24 5.807,25 4.155,26 5.167,27 5.419,28 4.027,29 4.309,30 5.942,31 4.174,32 5.05,33 5.294,34 3.855,35 4.183,36 5.828,37 4.042,38 4.923,39 5.168,40 3.586,41 3.99,42 5.736,43 3.823,44 4.799,45 5.085,46 3.158,47 3.653,48 5.641,49 3.44,50 4.483,51 4.828,52 2.395,53 3.136,54 5.223,55 2.864,56 0.038,57 0.639,58 11.36,59 4.668,60 9.472,61 6.312,62 0.236,63 1.116,64 22.266,65 7.957,66 18.154,67 11.037,68 0.307,69 1.548,70 31.212,71 12.501,72 33.139,73 17.064,74 0.444,75 1.809,76 40.744,77 15.096,78 47.595,79 21.503,80 0.411,81 1.612,82 36.414,83 13.164,84 34.37,85 18.717,86 0.354,87 1.373,88 32.136,89 11.463,90 35.632,91 16.29,92 0.525,93 1.082,94 29.166,95 9.287,96 48.362,97 13.522,98 0.368,99 0.72,100 21.529,101 6.125,102 38.369,103 9.325,104 18,105 40,106 0.244,107 0.575,108 0.819,109 0.849,110 0.849,111 0.849,112 3.151,113 0.983,114 0.29,115 0.12,116 -0.1,121 39.1,123 2,125 1,126 3,127 2,129 2,137 2,144 2,145 2,146 2,176 7,180 4,185 2,187 9,189 2,191 1,192 6,197 1,200 9,203 3,206 4,209 1,211 1,214 5,216 2,219 3,221 1,224 2,227 5,229 2,232 1,234 1,237 1,239 1,247 1,249 2,250 1,281 498,282 14.574,283 14.574,284 14.574,285 14.574,286 14.574,287 13.73,288 24.647,289 7.985,290 15.013,291 12.246,292 12.246,293 12.246,294 12.246,295 12.246,296 10.788,297 37.26,298 3.672,299 12.913,300 4.127,301 2.233,302 0.832,303 0.658,304 0.658,305 0.658,306 3.843,311 1,312 1,313 314,314 3.162,317 22.519,318 64.264,319 35.672,321 91.599,322 50.028,323 58.443,324 64.224,325 0.86,326 19.678,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 47.5,338 144,339 4.875,340 4.075,341 8.076,342 4.72,343 3.737,344 4.357,345 1.26,346 15.715,347 3.676,348 4.189,349 3.577,350 6.745,351 4.088,352 3.176,353 3.404,354 0.86,355 11.046,356 2.901,357 4.085,358 3.091,359 6.464,360 3.759,361 2.797,362 3.228,363 0.86,364 9.816,365 2.683,366 3.547,367 2.787,368 5.767,369 3.293,370 2.343,371 2.795,372 0.765,373 7.539,374 2.214,375 3.331,376 2.524,377 5.217,378 3.125,379 2.161,380 2.411,381 0.68,382 6.282,383 2.073,384 2.949,385 2.284,386 4.854,387 2.654,388 1.735,389 2.035,390 0.245,391 5.066,392 1.584,393 2.801,394 1.775,395 4.718,396 2.462,397 1.493,398 1.812,400 4.468,401 1.44,402 2.133,403 1.165,404 3.828,405 1.782,406 0.805,407 0.948,409 1.987,410 0.784,411 1.876,412 1.015,413 3.778,414 1.626,415 0.733,416 0.819,418 1.581,419 0.647,420 1.566,421 0.763,422 3.351,423 1.378,424 0.429,425 0.477,427 1.015,428 0.404,429 1.143,430 0.411,431 3.017,432 0.911,433 -0.02,434 -0.022,436 -0.041,437 -0.018,438 0.961,439 0.18,440 2.852,441 0.703,442 -0.214,443 -0.239,445 -0.535,446 -0.194,447 0.543,448 -0.209,449 2.745,450 0.308,451 -0.639,452 -0.687,454 -1.865,455 -0.589,456 0.423,457 -0.406,458 2.625,459 0.138,460 -0.803,461 -0.934,463 -2.389,464 -0.752,466 -0.567,467 2.385,468 -0.064,469 -1,470 -1,472 -2.969,473 -0.9,474 10.4,475 0.473,476 0.808,477 0.037,478 22.75,479 1.034,480 8,481 0.364,482 14.75,483 0.67,484 23.035,485 1.047,486 25.3,487 0.55,488 16.296,489 0.741,490 4.283,491 0.195,492 6.168,493 0.28,494 0.176,495 0.087,496 0.288,501 0.93,502 1.441,503 0.892,504 1.234,505 0.985,506 1.081,507 1.254,508 0.817,509 0.905,510 0.769,511 0.828,512 0.761,513 0.883,514 1.228,515 1.064,516 1.224,517 0.893,518 1.179,519 0.757,520 1.018,521 0.887,522 1.003,523 0.65,524 0.972,525 0.966,526 1.072,527 1.061,528 1.076,529 0.744,530 1.083,531 1.009,532 1.207,533 1.186,534 1.255,535 0.983,536 1.251,537 1.126,538 1.005,539 1.11,540 1.042,541 1.181,542 1.075,543 1.305,544 0.605,545 0.955,546 0.642,547 1.42,548 0.728,549 7,551 3.778,552 2.764,553 2.457,554 1.206,555 0.663,556 0.375,559 3964,560 8183,561 2.097,562 52.2,564 19,567 1,569 2,570 2,572 1.658,573 1.913,574 2.705,575 -0.354,577 1,582 64.231,583 1.396,584 3.291,585 4.692,586 4.866,587 4.866,588 4.866,589 1.936,590 4.096,591 4.431,592 2.806,593 648.088,594 7.679,595 6642.65,597 1,600 254.084,601 1.79,602 4.353,603 0.28,605 0.094,606 0.06,607 0.057,608 0.034,609 0.028,610 0.029,613 0.583,614 0.67,615 1,616 0.853,617 95.597,618 -0.024,619 -0.19,620 0.084,621 -0.063,622 -0.11,623 0.011,624 -0.149,625 0.358,626 0.108,627 0.277,628 0.007,629 0.248,630 0.017,631 -0.117,632 -0.1,633 -0.124,634 -0.029,635 -0.129,636 0.062,637 -0.037,638 0.068,640 0.053,641 0.029,642 -0.047,643 -0.074,644 -0.093,645 -0.08,646 -0.037,647 -0.093,648 -0.044,649 -0.23,650 -0.216,651 -0.272,652 -0.07,653 -0.271,654 0.048,655 -0.139,656 -0.109,657 -0.145,658 0.046,659 -0.153,660 -0.122,661 0.175,662 0.054,663 0.162,664 0.011,665 0.141,666 1.745,667 4.03,668 0.773,669 12.752,670 0.994,671 1.128,672 -1.515,673 2.296,674 0.633,675 3.258,676 3.714,677 4.06,678 4.454,679 4.828,680 5.081,681 5.257,682 5.403,683 5.394,684 5.425,685 4.152,686 0.592,687 302.43,688 3.258,689 4.875,690 5.784,691 6.749,692 7.689,693 8.661,694 9.614,695 10.587,696 11.547,697 12.52,698 2.2,712 1,715 2,720 4,722 6,739 2,741 46,743 7,744 1,745 25,747 49,748 18,749 6,750 4,751 2,756 4,757 12,764 1,766 1,767 4,770 4,772 8,773 10,777 1,784 2,789 1,790 1,793 24,794 3,795 1,796 4,802 1,803 1,807 1,808 0.25,809 3,811 1,828 1,829 2,830 1,832 2,833 1,834 1,835 1,849 2,857 1,859 1,864 3,868 22,875 1,876 4,878 2,880 2,882 1,883 1,893 6.5,894 1,898 2,901 11.5,902 9.033,903 4.583,904 2.872,907 1.595,908 1.208,909 0.908,910 3.045,911 9.272,912 3.401,913 3.998,914 4.562,915 5.153,916 5.715,917 6.073,918 6.413,919 6.729,920 6.858,921 7.078,922 0.6,923 46,924 8.216,926 3.662,927 0.026,929 7.549,931 16.234,933 14.562,936 2.049,937 45.083,938 0.001,941 270.735,942 91.719,945 64.683,948 91.719,949 335.418,951 27.676,952 9.28,953 80.588,955 38.858,957 270.735,959 270.735,960 91.719,961 64.683,964 223.651,965 69.084,966 42.683,968 9.28,969 63.486,970 18.952,972 270.735,973 64.683,974 91.719,977 270.735,978 26.138,979 65.581,981 64.683,982 270.735,983 64.683,984 91.719,986 0.611,987 0.362,988 0.206,989 0.133,990 24,991 10,992 0.02,993 1,994 4,995 1.412,996 3.144,997 201.991,998 0.471,999 16,1000 96.107,1005 14.401,1006 4.651,1007 2.022,1009 64.683,1010 4.208,1015 4.346,1017 42.683,1018 427.138,1019 29,1026 4.148,1031 45.745,1032 51.901,1034 0.253,1035 0.596,1036 0.849,1037 0.881,1038 0.881,1039 0.881,1040 4.758,1041 0.805,1042 5.883,1043 4.468,1044 4.394,1045 4.682,1046 2.142,1047 6.891,1048 4.3,1049 6.009,1050 0.733,1051 7.574,1052 1.987,1053 4.443,1054 4.745,1055 0.931,1056 8.465,1057 4.3,1058 7.387,1059 0.429,1060 9.382,1061 1.581,1062 6.263,1063 6.853,1064 1.963,1065 11.58,1066 6.099,1067 8.799,1068 -0.02,1069 11.262,1070 1.015,1071 7.074,1072 7.674,1073 1.381,1074 13.946,1075 6.876,1076 10.245,1077 -0.214,1078 13.191,1079 -0.041,1080 8.494,1081 9.365,1082 1.994,1083 16.754,1084 8.281,1085 11.714,1086 -0.639,1087 15.154,1088 -0.535,1089 9.601,1090 10.523,1091 1.783,1092 19.381,1093 9.369,1094 13.203,1095 -0.803,1096 17.143,1097 -1.865,1098 10.914,1099 12.071,1100 2.189,1101 22.132,1102 10.67,1103 3.737,1104 -1,1105 19.152,1106 -2.389,1107 12.136,1108 13.388,1109 2.192,1110 24.842,1111 11.88,1112 3.176,1113 15.715,1114 21.176,1115 -2.969,1116 13.426,1117 14.883,1118 2.499,1119 27.588,1120 13.162,1121 2.797,1122 11.046,1123 23.212,1124 4.357,1125 14.694,1126 16.278,1127 2.615,1128 30.326,1129 14.421,1130 2.343,1131 9.816,1132 25.259,1133 3.404,1134 15.986,1135 17.755,1136 2.877,1137 33.074,1138 15.705,1139 2.161,1140 7.539,1141 27.313,1142 3.228,1143 17.274,1144 19.187,1145 3.05,1146 35.822,1147 16.985,1148 1.735,1149 6.282,1150 29.373,1151 2.795,1152 18.572,1153 20.658,1154 3.293,1155 38.574,1156 18.275,1157 1.493,1158 5.066,1159 31.439,1160 2.411,1161 19.871,1162 22.109,1163 3.495,1164 41.325,1165 19.565,1166 3880,1167 5653,1168 16.296,1169 29.125,1170 39.504,1171 39.348,1172 41.595,1173 38.893,1174 38.818,1175 44.572,1176 9.339,1177 129.03,1178 36.812,1179 5.838,1180 6.075,1181 7.617,1182 5.807,1183 5.737,1184 7.357,1185 2.12,1186 24.203,1187 5.676,1188 11.215,1189 1.58,1190 1.574,1191 1.664,1192 1.556,1193 1.553,1194 1.783,1195 0.374,1196 5.161,1197 1.472,1198 4.12,1199 4.146,1200 4.068,1201 4.03,1202 6.451,1203 4.036,1204 3.767,1205 3.833,1206 3.657,1207 3.636,1208 4.94,1209 3.633,1210 3.703,1211 3.737,1212 3.612,1213 3.518,1214 4.54,1215 3.532,1216 3.293,1217 3.354,1218 3.148,1219 3.123,1220 4.365,1221 3.117,1222 3.248,1223 3.313,1224 3.078,1225 2.996,1226 4.215,1227 3.005,1228 3.109,1229 3.16,1230 2.954,1231 2.929,1232 4.113,1233 2.924,1234 2.919,1235 3.009,1236 2.714,1237 2.745,1238 3.631,1239 2.727,1240 2.883,1241 2.994,1242 2.652,1243 2.708,1244 3.467,1245 2.682,1246 0.195,1247 0.163,1248 0.323,1249 0.189,1250 0.149,1251 4.875,1252 0.174,1253 4.075,1254 0.05,1255 8.076,1256 0.629,1257 4.72,1258 0.147,1259 3.737,1260 4.357,1261 1.26,1262 15.715,1263 3.676,1264 1.946,1265 1.928,1266 2.053,1267 2.057,1268 1.432,1269 2.055,1270 1.854,1271 1.809,1272 2.03,1273 2.019,1274 1.32,1275 2.03,1276 1.671,1277 1.611,1278 1.857,1279 1.873,1280 1.089,1281 1.866,1282 1.3,1283 1.244,1284 1.599,1285 1.547,1286 0.794,1287 1.563,1288 1.172,1289 1.089,1290 1.546,1291 1.446,1292 0.584,1293 1.482,1294 1.092,1295 1.038,1296 1.417,1297 1.309,1298 0.513,1299 1.323,1300 0.935,1301 0.845,1302 1.364,1303 1.239,1304 0.469,1305 1.308,1306 0.934,1307 0.804,1308 1.294,1309 1.173,1310 0.462,1311 1.218,1312 3.932,1314 5.352,1315 2.398,1316 6.971,1317 5.043,1318 8.685,1319 7.424,1320 10.455,1322 6.259,1327 10.03,1328 3.791,1330 11.834,1332 -0.402,1334 -0.107,1335 0.976,1340 27.224,1341 64.231,1342 151.373,1343 215.819,1344 223.819,1345 223.819,1346 223.819,1347 35.947,1348 7.677,1349 38.69,1350 38.69,1351 24,1352 12.997,1353 3,1354 2.322,1355 29.452,1356 56,1357 56,1358 0.285,1359 162.396,1360 287.75,1361 388.007,1362 19611,1364 15.535,1365 0.706,1366 0.616,1367 15.535,1368 13.556,1369 10.45,1370 0.418,1371 0.328,1372 8.049,1373 9.978,1374 7.782,1375 6.424,1376 10.45,1377 8.196,1378 10.609,1379 0.265,1380 0.195,1381 10.609,1382 7.781,1383 8.912,1384 0.156,1385 0.1,1386 8.912,1387 5.684,1388 7.97,1389 0.094,1390 0.053,1391 7.97,1392 4.496,1393 7.32,1394 0.059,1395 0.03,1396 7.32,1397 3.772,1398 0.408,1399 66.064,1400 0.248,1401 20.371,1402 0.922,1403 130,1404 299.954,1405 141.299,1406 281.543,1407 394,1408 266,1409 162,1410 296.872,1411 175.574,1412 300.936,1413 452.86,1414 282,1415 6.201}
{0 CHEMBL85473,1 1.442,2 12.379,3 3.292,4 10.839,5 118.312,6 6.994,7 0.5,8 4.159,9 4.27,10 3.719,11 3.72,12 5.144,13 3.659,14 4.742,15 4.92,16 4.11,17 4.163,18 5.619,19 4.075,20 5.023,21 5.214,22 4.207,23 4.372,24 5.89,25 4.235,26 5.228,27 5.481,28 4.144,29 4.399,30 6.018,31 4.223,32 5.167,33 5.422,34 4.073,35 4.336,36 5.96,37 4.155,38 5.055,39 5.299,40 3.909,41 4.283,42 5.834,43 4.084,44 5.015,45 5.282,46 3.757,47 4.133,48 5.828,49 3.926,50 4.766,51 5.011,52 3.655,53 3.935,54 5.587,55 3.766,56 0.054,57 0.798,58 14.359,59 6.282,60 11.973,61 8.035,62 0.269,63 1.372,64 28.058,65 10.594,66 22.084,67 13.601,68 0.345,69 1.778,70 39.149,71 15.225,72 29.556,73 19.558,74 0.383,75 2.045,76 49.098,77 18.105,78 43.334,79 23.691,80 0.489,81 1.916,82 47.795,83 17.129,84 48.584,85 22.105,86 0.257,87 1.784,88 42.977,89 16.14,90 34.251,91 21.016,92 0.522,93 1.61,94 39.455,95 14.594,96 55.779,97 19.344,98 0.218,99 1.28,100 31.949,101 11.732,102 30.556,103 14.97,104 21,105 46,106 0.235,107 0.544,108 0.741,109 0.802,110 0.815,111 0.821,112 3.408,113 1.05,114 -0.79,115 -0.91,116 -1.02,121 40.7,123 2,124 1,126 3,127 3,129 1,144 8,145 2,146 2,154 2,176 10,180 2,185 1,187 12,189 3,191 1,192 3,197 4,200 8,203 3,206 3,211 1,214 7,216 2,219 2,224 2,226 1,227 9,229 1,239 10,241 2,244 2,247 2,249 1,251 4,253 1,256 4,261 2,264 3,266 2,274 2,277 5,281 1340,282 19.687,283 19.687,284 19.687,285 19.687,286 19.687,287 17.851,288 23.391,289 11.351,290 20.361,291 15.654,292 15.654,293 15.654,294 15.654,295 15.654,296 12.77,297 29.022,298 5.228,299 16.624,300 4.441,301 2.546,302 1.339,303 0.966,304 0.886,305 0.852,306 4.102,311 1,312 1,313 778,314 3.536,317 67.755,318 290.838,321 129.172,325 2.048,326 20.235,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 61.5,338 359,339 4.561,340 3.682,341 7,342 4.231,343 3.311,344 4.493,345 1.26,346 11.92,347 3.054,348 4.33,349 3.341,350 6.509,351 4.074,352 3.136,353 3.539,354 0.86,355 10.263,356 2.938,357 4.067,358 3.178,359 6.265,360 3.798,361 2.847,362 3.521,363 0.86,364 9.359,365 2.706,366 3.815,367 2.657,368 5.875,369 3.443,370 2.492,371 3.168,372 0.765,373 8.088,374 2.395,375 3.708,376 2.577,377 5.302,378 3.374,379 2.396,380 2.919,381 0.245,382 6.795,383 2.296,384 3.178,385 2.215,386 5.092,387 2.802,388 1.847,389 2.471,391 5.777,392 1.745,393 3.078,394 1.975,395 4.717,396 2.698,397 1.771,398 2.185,400 5.118,401 1.626,402 2.868,403 1.532,404 3.943,405 2.434,406 1.437,407 2.017,409 3.077,410 1.432,411 2.5,412 1.427,413 3.802,414 2,415 1.136,416 1.5,418 2.841,419 1,420 2.399,421 1.166,422 3.786,423 1.988,424 1,425 1.376,427 2.372,428 0.983,429 2,430 1.077,431 3.615,432 1.984,433 1,434 1,436 2.158,437 0.953,438 1.981,439 1,440 3.251,441 1.738,442 0.836,443 0.932,445 2.136,446 0.74,447 1.554,448 0.976,449 3.247,450 1.21,451 0.362,452 0.393,454 0.491,455 0.304,456 1.48,457 0.518,458 2.887,459 1.122,460 0.241,461 0.311,463 0.458,464 0.209,465 1.195,466 0.314,467 2.751,468 1.003,469 0.049,470 0.054,472 0.131,473 0.047,474 14.233,475 0.491,476 0.749,477 0.026,478 33.25,479 1.147,480 15,481 0.517,482 18.25,483 0.629,484 29.825,485 1.028,486 32.267,487 0.547,488 23.311,489 0.804,490 6.38,491 0.22,492 7.63,493 0.263,494 0.129,495 0.028,496 0.281,501 0.932,502 1.273,503 0.834,504 1.054,505 0.953,506 1.019,507 1.344,508 0.835,509 0.913,510 0.761,511 0.907,512 0.812,513 0.789,514 1.214,515 1.112,516 1.221,517 0.814,518 1.173,519 0.895,520 1.039,521 0.97,522 1.037,523 1.112,524 1.008,525 1.007,526 0.931,527 1.049,528 0.985,529 1.095,530 0.953,531 0.646,532 1.197,533 1.249,534 1.294,535 0.944,536 1.182,537 0.736,538 0.985,539 0.994,540 1,541 1.115,542 1.024,543 0.958,544 1.127,545 1.154,546 1.188,547 0.896,548 1.053,549 7,550 0.204,551 3.556,552 2.417,553 1.974,554 1.011,555 0.777,556 0.426,557 0.376,558 0.136,559 11463,560 25534,561 2.082,562 50.8,564 24,567 1,569 5,572 1.716,573 1.944,574 3.601,575 -0.405,577 1,582 85.075,583 1.442,584 3.336,585 4.543,586 4.916,587 4.997,588 5.031,589 3.099,590 4.03,591 4.827,592 3.762,593 1527.4,594 8.388,595 20944,597 1,599 1,600 347.076,601 1.548,602 4.781,603 0.219,604 0.009,605 0.077,606 0.051,607 0.047,608 0.026,609 0.023,610 0.015,611 0.014,612 0.005,613 0.487,614 0.33,615 1,616 0.828,617 148.699,618 -0.011,619 -0.119,620 0.081,621 -0.005,622 -0.063,623 0.015,624 -0.169,625 0.286,626 0.076,627 0.24,628 -0.028,629 0.168,630 0.075,631 -0.148,632 -0.08,633 -0.159,634 0.067,635 -0.157,636 0.002,637 -0.064,638 0.03,639 -0.045,640 -0.013,641 -0.02,642 -0.015,643 0.049,644 0.015,645 0.034,646 -0.043,647 0.032,648 -0.003,649 -0.187,650 -0.152,651 -0.207,652 -0.05,653 -0.158,654 0.161,655 -0.041,656 -0.019,657 -0.029,658 0.064,659 -0.043,661 -0.149,662 -0.062,663 -0.137,664 0.084,665 -0.054,666 1.741,667 5.1,668 0.724,669 31.125,670 0.991,671 1.12,672 -0.436,673 0.19,674 0.662,675 3.497,676 3.85,677 4.127,678 4.382,679 4.625,680 4.718,681 4.844,682 4.97,683 4.997,684 5.063,685 7.22,686 0.61,687 412.62,688 3.497,689 5.056,690 5.916,691 6.81,692 7.688,693 8.586,694 9.47,695 10.371,696 11.259,697 12.161,698 1.7,712 1,714 2,715 8,719 1,720 4,722 16,739 2,741 59,743 16,744 2,745 32,747 62,748 24,749 14,750 5,751 7,756 4,757 5,767 2,768 1,770 3,772 14,773 10,774 1,790 1,793 30,794 3,795 1,796 5,797 1,802 1,803 1,807 1,808 0.75,809 3,811 1,828 1,829 3,832 1,857 1,859 3,862 1,864 3,868 29,875 1,876 5,878 2,880 2,883 1,888 1,893 5.1,894 1,898 2,901 14.917,902 11.283,903 6.403,904 3.581,907 2.837,908 1.366,909 0.932,910 6.139,911 10.591,912 3.714,913 4.314,914 4.884,915 5.467,916 5.995,917 6.29,918 6.665,919 7.011,920 6.972,921 7.069,922 1,923 47,924 10.781,926 4.569,927 0.026,929 7.517,931 21.273,933 18.042,936 2.017,937 58.5,940 1,941 341.362,942 166.986,945 64.683,947 31.278,948 135.708,949 406.045,951 30.162,952 11.386,953 118.493,955 38.245,956 2.104,957 372.64,959 341.362,960 135.708,961 64.683,962 31.278,964 282.506,965 80.855,966 42.683,968 11.386,969 124.322,971 31.278,972 341.362,973 64.683,974 166.986,977 341.362,978 61.013,979 105.972,981 64.683,982 341.362,983 64.683,984 166.986,986 0.585,987 0.35,988 0.185,989 0.102,990 23,991 10,992 0.097,993 6,994 1,995 1.095,996 4.064,997 256.157,998 0.095,999 21,1000 132.881,1001 1,1005 20.641,1006 8.625,1007 4.446,1008 2.222,1009 64.683,1010 16.835,1014 1.66,1015 3.89,1017 42.683,1018 573.031,1019 40,1031 58.472,1032 66.067,1034 0.245,1035 0.567,1036 0.772,1037 0.836,1038 0.849,1039 0.855,1040 4.977,1041 1.437,1042 5.938,1043 5.118,1044 4.533,1045 5.001,1046 2.027,1047 6.797,1048 4.417,1049 6.19,1050 1.136,1051 7.533,1052 3.077,1053 4.29,1054 4.879,1055 0.931,1056 7.972,1057 4.083,1058 7.517,1059 1,1060 9.234,1061 2.841,1062 6.225,1063 7.206,1064 1.901,1065 10.981,1066 5.992,1067 8.878,1068 1,1069 10.997,1070 2.372,1071 6.792,1072 7.893,1073 1.381,1074 12.942,1075 6.444,1076 10.269,1077 0.836,1078 12.8,1079 2.158,1080 8.226,1081 9.729,1082 1.967,1083 15.532,1084 7.854,1085 11.681,1086 0.362,1087 14.629,1088 2.136,1089 9.133,1090 10.804,1091 1.783,1092 17.787,1093 8.645,1094 13.108,1095 0.241,1096 16.477,1097 0.491,1098 10.389,1099 12.441,1100 2.179,1101 20.263,1102 9.862,1103 3.311,1104 0.049,1105 18.338,1106 0.458,1107 11.443,1108 13.72,1109 2.192,1110 22.633,1111 10.81,1112 3.136,1113 11.92,1114 20.21,1115 0.131,1116 12.636,1117 15.271,1118 2.495,1119 25.083,1120 11.949,1121 2.847,1122 10.263,1123 22.091,1124 4.493,1125 13.754,1126 16.658,1127 2.615,1128 27.502,1129 12.971,1130 2.492,1131 9.359,1132 23.979,1133 3.539,1134 14.928,1135 18.174,1136 2.875,1137 29.95,1138 14.078,1139 2.396,1140 8.088,1141 25.872,1142 3.521,1143 16.076,1144 19.617,1145 3.05,1146 32.392,1147 15.136,1148 1.847,1149 6.795,1150 27.771,1151 3.168,1152 17.246,1153 21.119,1154 3.292,1155 34.846,1156 16.233,1157 1.771,1158 5.777,1159 29.674,1160 2.919,1161 18.408,1162 22.591,1163 3.495,1164 37.3,1165 17.309,1166 10897,1167 16425,1168 21.266,1169 39.057,1170 48.041,1171 48.462,1172 50.081,1173 47.673,1174 47.724,1175 59.758,1176 7.979,1177 141.966,1178 44.854,1179 5.561,1180 5.682,1181 6.802,1182 5.353,1183 5.311,1184 7.493,1185 2.12,1186 18.926,1187 5.054,1188 14.095,1189 1.501,1190 1.514,1191 1.565,1192 1.49,1193 1.491,1194 1.867,1195 0.249,1196 4.436,1197 1.402,1198 4.107,1199 4.123,1200 4.338,1201 4.115,1202 6.449,1203 4.066,1204 3.989,1205 4.029,1206 3.91,1207 3.886,1208 4.969,1209 3.882,1210 3.829,1211 3.87,1212 3.733,1213 3.726,1214 4.756,1215 3.721,1216 3.564,1217 3.596,1218 3.597,1219 3.424,1220 4.533,1221 3.419,1222 3.373,1223 3.423,1224 3.292,1225 3.199,1226 4.496,1227 3.192,1228 3.249,1229 3.314,1230 3.077,1231 2.967,1232 4.345,1233 2.97,1234 3.111,1235 3.206,1236 2.915,1237 2.941,1238 3.869,1239 2.91,1240 3.086,1241 3.161,1242 2.866,1243 2.88,1244 3.734,1245 2.871,1246 0.143,1247 0.115,1248 0.219,1249 0.132,1250 0.103,1251 4.561,1252 0.14,1253 3.682,1254 0.039,1255 7,1256 0.373,1257 4.231,1258 0.095,1259 3.311,1260 4.493,1261 1.26,1262 11.92,1263 3.054,1264 1.97,1265 1.925,1266 2.135,1267 2.137,1268 1.528,1269 2.141,1270 1.908,1271 1.903,1272 2.005,1273 1.987,1274 1.184,1275 1.985,1276 1.847,1277 1.809,1278 1.96,1279 1.948,1280 1.139,1281 1.969,1282 1.558,1283 1.528,1284 1.718,1285 1.72,1286 0.978,1287 1.733,1288 1.3,1289 1.244,1290 1.58,1291 1.53,1292 0.825,1293 1.546,1294 1.218,1295 1.173,1296 1.572,1297 1.514,1298 0.726,1299 1.533,1300 1.181,1301 1.102,1302 1.513,1303 1.406,1304 0.582,1305 1.457,1306 1.153,1307 1.064,1308 1.452,1309 1.376,1310 0.574,1311 1.429,1312 4.174,1314 5.517,1315 2.398,1316 7.059,1317 4.727,1318 8.684,1319 6.843,1320 10.351,1322 5.645,1327 11.1,1328 5.356,1330 10.836,1332 -0.094,1335 1.05,1340 35.991,1341 85.075,1342 196.837,1343 268.056,1344 290.056,1345 294.811,1346 296.811,1347 49.929,1348 7.754,1349 38.69,1350 66.93,1351 23,1352 12.684,1353 4.087,1354 3.17,1355 44.959,1356 126,1357 123,1358 0.175,1359 222.299,1360 380.34,1361 534.169,1362 25431,1364 20.433,1365 0.705,1366 0.631,1367 20.786,1368 18.297,1369 14.009,1370 0.438,1371 0.35,1372 10.305,1373 13.053,1374 9.897,1375 8.241,1376 14.418,1377 11.203,1378 12.775,1379 0.278,1380 0.212,1381 13.417,1382 9.764,1383 11.035,1384 0.181,1385 0.126,1386 11.857,1387 7.659,1388 8.968,1389 0.114,1390 0.074,1391 9.869,1392 5.838,1393 7.34,1394 0.073,1395 0.045,1396 8.195,1397 4.513,1398 0.279,1399 91.727,1400 0.217,1401 27.795,1402 0.467,1403 156,1404 374.814,1405 191.926,1406 379.009,1407 522.12,1408 358,1409 185,1410 364.078,1411 221.185,1412 390.345,1413 570.71,1414 364,1415 4.616}
{0 CHEMBL86,1 1.626,2 8.8,3 1.776,4 3.153,5 83.019,6 7.139,7 0.3,8 3.793,9 3.935,10 3.29,11 3.231,12 4.87,13 3.194,14 4.328,15 4.547,16 3.602,17 3.565,18 5.332,19 3.5,20 4.522,21 4.748,22 3.77,23 3.727,24 5.574,25 3.648,26 4.624,27 4.84,28 3.683,29 3.767,30 5.723,31 3.642,32 4.707,33 4.991,34 3.631,35 3.655,36 5.73,37 3.511,38 4.525,39 4.817,40 3.348,41 3.496,42 5.528,43 3.344,44 4.329,45 4.576,46 3.186,47 3.372,48 5.373,49 3.226,50 4.13,51 4.354,52 3.102,53 3.267,54 5.144,55 3.14,56 0.038,57 0.565,58 9.699,59 3.56,60 8.161,61 5.221,62 0.251,63 0.805,64 18.659,65 5.472,66 21.658,67 8.296,68 0.308,69 0.921,70 24.429,71 6.849,72 32.353,73 10.184,74 0.439,75 0.953,76 27.627,77 8.161,78 51.217,79 11.732,80 0.588,81 0.927,82 30.87,83 7.633,84 64.062,85 11.884,86 0.431,87 0.765,88 25.176,89 6.337,90 57.609,91 9.741,92 0.407,93 0.614,94 23.685,95 5.761,96 49.194,97 8.206,98 0.266,99 0.575,100 17.278,101 4.719,102 36.164,103 6.901,104 51,105 26,106 0.294,107 0.596,108 0.751,109 0.811,110 0.811,111 0.811,112 3.056,113 1.056,114 -3.21,115 -3.21,116 -3.08,121 33.3,122 2,126 1,127 4,144 2,145 1,146 3,160 1,165 1,166 1,167 1,176 1,180 5,183 1,185 2,187 2,189 1,192 2,195 1,197 3,200 3,203 2,205 1,206 1,208 1,209 2,211 2,214 1,216 1,218 1,219 3,224 3,232 1,234 1,235 1,236 1,238 1,243 1,244 3,251 2,256 1,264 2,269 2,271 1,272 1,277 2,281 524,282 13.232,283 13.232,284 13.232,285 13.232,286 13.232,287 12.311,288 19.401,289 7.744,290 13.76,291 9.605,292 9.605,293 9.605,294 9.605,295 9.605,296 8.111,297 22.197,298 3.368,299 10.306,300 3.766,301 2.101,302 1.244,303 0.911,304 0.911,305 0.911,306 3.687,308 1,310 1,311 1,312 1,313 341,314 3.742,318 75.918,325 1.34,326 22.196,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 43.833,338 176,339 4.437,340 3.614,341 6.504,342 4.042,343 3.071,344 4.118,345 1.058,346 10.148,347 2.978,348 3.855,349 3.14,350 5.793,351 3.468,352 2.526,353 3.24,354 0.86,355 7.638,356 2.35,357 3.451,358 2.784,359 5.273,360 3.351,361 2.433,362 2.558,363 0.8,364 6.647,365 2.229,366 3.33,367 2.711,368 5.055,369 2.948,370 2.022,371 2.43,373 5.727,374 1.832,375 2.833,376 1.789,377 4.248,378 2.433,379 1.485,380 1.913,382 3.889,383 1.383,384 2.2,385 1.56,386 3.484,387 2.037,388 1.081,389 1.16,391 2.317,392 1.014,393 1.847,394 1.459,395 3.104,396 1.591,397 0.65,398 0.731,400 1.266,401 0.6,402 1.618,403 0.744,404 2.677,405 1.514,406 0.618,407 0.618,409 0.791,410 0.531,411 1.253,412 0.666,413 2.618,414 1.056,415 0.123,416 0.131,418 0.195,419 0.109,420 1.179,421 0.522,422 2.409,423 0.902,429 0.765,430 -0.104,431 2.243,432 0.399,433 -0.576,434 -0.624,436 -1.054,437 -0.488,438 0.541,439 -0.336,440 1.738,441 0.299,442 -0.638,443 -0.806,445 -1.579,446 -0.612,447 0.203,448 -0.442,449 1.387,450 -0.089,451 -1,452 -1.17,454 -2.337,455 -0.814,456 -0.161,457 -0.835,458 1.307,459 -0.409,460 -1.354,461 -1.543,463 -3.349,464 -1.207,465 -0.181,466 -1.147,467 1.144,468 -0.604,469 -1.402,470 -1.618,472 -3.791,473 -1.308,474 9.581,475 0.479,476 0.472,477 0.024,478 21,479 1.05,480 8.5,481 0.425,482 12.5,483 0.625,484 17.722,485 0.886,486 24.019,487 0.572,488 15.238,489 0.762,490 4.334,491 0.217,492 5.193,493 0.26,494 0.308,496 0.303,501 0.843,502 1.619,503 0.741,504 1.216,505 0.736,506 1.122,507 1.012,508 1.104,509 0.729,510 0.828,511 0.598,512 0.841,513 1.014,514 0.994,515 0.872,516 0.929,517 0.844,518 0.901,519 0.947,520 1.3,521 1.097,522 1.283,523 1.157,524 1.24,525 0.774,526 1.018,527 0.677,528 0.943,529 0.919,530 0.907,531 1.058,532 0.755,533 0.85,534 0.751,535 1.163,536 0.826,537 1.526,538 0.846,539 1.45,540 1.02,541 1.903,542 1.015,543 1.279,544 1.106,545 1.173,546 1.165,547 1.801,548 1.169,549 4.5,550 0.058,551 2.667,552 1.5,553 1.204,554 0.604,555 0.305,556 0.2,557 0.169,558 0.171,559 3226,560 9172,561 1.835,562 52.4,564 13,567 3,569 6,572 1.618,573 1.667,574 3.126,575 1.152,576 1,577 1,579 1,582 68.312,583 1.626,584 3.291,585 4.148,586 4.481,587 4.481,588 4.481,589 2.528,590 3.584,591 4.292,592 3.289,593 624.907,594 7.333,595 6614.04,596 1,597 1,599 1,600 226.477,601 1.571,602 4.209,603 0.225,604 0.007,605 0.103,606 0.052,607 0.048,608 0.029,609 0.018,610 0.013,611 0.012,612 0.013,613 0.52,614 0.5,615 1,616 2.228,617 89.62,618 -0.073,619 -0.218,620 0.005,621 -0.092,622 -0.089,623 -0.037,624 -0.048,625 0.053,626 0.096,627 0.157,628 0.076,629 0.146,630 -0.035,631 0.122,632 0.075,633 0.076,634 0.066,635 0.092,636 0.108,637 -0.251,638 -0.114,639 -0.242,640 0.025,641 -0.228,642 0.212,643 -0.123,644 0.178,645 -0.039,646 0.151,647 0.031,648 -0.042,649 0.16,650 0.049,651 0.129,652 0.003,653 0.09,654 -0.205,655 0.052,656 -0.214,657 -0.011,658 -0.245,659 -0.046,660 -0.161,661 -0.079,662 -0.186,663 -0.143,664 -0.305,665 -0.174,666 1.879,667 5.137,668 0.3,669 15.82,670 1.003,671 1.143,672 1.985,673 3.94,674 0.629,675 3.045,676 3.296,677 3.497,678 3.584,679 3.714,680 3.638,681 3.434,682 3.219,683 3.219,684 3.091,685 5.452,686 0.585,687 299.84,688 3.045,689 4.533,690 5.342,691 6.18,692 7.015,693 7.86,694 8.704,695 9.554,696 10.403,697 11.256,698 7.1,701 1,702 1,705 1,715 2,720 4,722 6,729 1,733 1,739 1,740 1,741 42,743 7,744 1,745 20,747 42,748 14,749 6,750 4,751 2,752 1,756 1,757 1,758 1,763 2,772 7,773 7,777 1,782 1,786 1,789 1,790 1,793 22,794 5,795 3,796 6,797 1,802 3,808 1,809 2,829 1,855 1,859 1,864 3,865 1,868 20,869 1,876 4,877 1,878 1,881 1,892 1,893 4.8,896 1,898 1,901 12,902 8.176,903 4.833,904 2.627,907 1.254,908 1.215,909 0.908,910 7.125,911 7.086,912 3.219,913 3.701,914 4.178,915 4.594,916 5.057,917 5.117,918 4.96,919 4.575,920 4.62,921 4.513,922 0.833,923 29,924 7.376,926 2.894,927 0.026,929 7.872,931 13.92,933 10.405,936 2.372,937 47.444,941 223.651,942 75.3,943 54.032,944 39.149,945 36.145,948 75.3,949 298.944,950 54.032,951 28.533,952 26.434,953 51.85,954 29.85,955 28.811,957 223.651,958 39.149,959 223.651,960 129.332,961 36.145,962 39.149,964 153.024,965 106.771,968 47.208,969 82.124,970 39.149,972 223.651,973 90.177,974 114.448,977 223.651,978 27.814,979 50.61,980 18.011,981 108.191,982 223.651,983 90.177,984 114.448,986 0.561,987 0.346,988 0.164,989 0.082,990 9,991 6,992 0.167,993 7,995 1,996 3.095,997 131.694,999 6,1000 82.439,1005 17.079,1006 8.343,1007 4.826,1009 90.177,1010 3.087,1015 1.557,1017 50.908,1018 428.276,1019 24,1024 12.137,1028 -0.212,1031 42.12,1032 48.01,1034 0.302,1035 0.61,1036 0.769,1037 0.831,1038 0.831,1039 0.831,1040 4.425,1041 0.618,1042 5.323,1043 1.266,1044 3.97,1045 4.382,1046 1.737,1047 6.094,1048 3.844,1049 5.599,1050 0.123,1051 6.878,1052 0.791,1053 3.611,1054 4.29,1055 0.325,1056 7.002,1057 3.416,1058 6.894,1060 8.534,1061 0.195,1062 5.533,1063 6.494,1064 1.622,1065 10.027,1066 5.317,1067 8.227,1068 -0.576,1069 10.245,1071 5.969,1072 7.203,1073 0.268,1074 11.714,1075 5.696,1076 9.593,1077 -0.638,1078 11.991,1079 -1.054,1080 7.375,1081 8.945,1082 1.587,1083 14.291,1084 7.089,1085 10.98,1086 -1,1087 13.76,1088 -1.579,1089 8.165,1090 10.007,1091 0.188,1092 16.316,1093 7.839,1094 12.384,1095 -1.354,1096 15.545,1097 -2.337,1098 9.377,1099 11.574,1100 1.592,1101 18.734,1102 9.038,1103 3.071,1104 -1.402,1105 17.343,1106 -3.349,1107 10.334,1108 12.806,1109 0.125,1110 20.916,1111 9.964,1112 2.526,1113 10.148,1114 19.152,1115 -3.791,1116 11.474,1117 14.295,1118 1.624,1119 23.272,1120 11.089,1121 2.433,1122 7.638,1123 20.97,1124 4.118,1125 12.511,1126 15.614,1127 0.082,1128 25.527,1129 12.099,1130 2.022,1131 6.647,1132 22.795,1133 3.24,1134 13.627,1135 17.066,1136 1.676,1137 27.859,1138 13.197,1139 1.485,1140 5.727,1141 24.626,1142 2.558,1143 14.703,1144 18.429,1145 0.054,1146 30.147,1147 14.248,1148 1.081,1149 3.889,1150 26.463,1151 2.43,1152 15.814,1153 19.863,1154 1.742,1155 32.469,1156 15.338,1157 0.65,1158 2.317,1159 28.305,1160 1.913,1161 16.91,1162 21.249,1163 0.035,1164 34.772,1165 16.409,1166 3528,1167 6122,1168 12.137,1169 26.398,1170 28.047,1171 29.897,1172 30.713,1173 28.141,1174 28.018,1175 33.8,1176 5.437,1177 77.234,1178 26.053,1179 5.36,1180 5.614,1181 6.122,1182 5.057,1183 5.071,1184 7.118,1185 2.117,1186 16.952,1187 4.978,1188 13.447,1189 1.402,1190 1.495,1191 1.536,1192 1.407,1193 1.401,1194 1.69,1195 0.272,1196 3.862,1197 1.303,1198 3.958,1199 3.977,1200 4.037,1201 3.876,1202 7.429,1203 3.881,1204 3.751,1205 3.829,1206 3.636,1207 3.55,1208 5.158,1209 3.554,1210 3.472,1211 3.545,1212 3.485,1213 3.247,1214 4.722,1215 3.26,1216 3.306,1217 3.407,1218 3.272,1219 3.123,1220 4.615,1221 3.089,1222 3.271,1223 3.332,1224 3.04,1225 3.016,1226 4.34,1227 3.024,1228 3.153,1229 3.219,1230 2.986,1231 2.937,1232 4.064,1233 2.942,1234 2.851,1235 2.948,1236 2.937,1237 2.687,1238 3.905,1239 2.661,1240 2.755,1241 2.827,1242 2.602,1243 2.466,1244 3.892,1245 2.483,1246 0.222,1247 0.181,1248 0.325,1249 0.202,1250 0.154,1251 4.437,1252 0.206,1253 3.614,1254 0.053,1255 6.504,1256 0.507,1257 4.042,1258 0.149,1259 3.071,1260 4.118,1261 1.058,1262 10.148,1263 2.978,1264 1.896,1265 1.883,1266 1.973,1267 2.012,1268 1.218,1269 2.002,1270 1.709,1271 1.631,1272 1.934,1273 1.933,1274 1.076,1275 1.942,1276 1.421,1277 1.346,1278 1.725,1279 1.68,1280 0.922,1281 1.689,1282 1.351,1283 1.256,1284 1.706,1285 1.584,1286 0.869,1287 1.638,1288 1.201,1289 1.134,1290 1.566,1291 1.521,1292 0.571,1293 1.535,1294 1.102,1295 1.049,1296 1.313,1297 1.371,1298 0.305,1299 1.366,1300 0.801,1301 0.746,1302 1.136,1303 1.129,1304 0.199,1305 1.138,1306 0.714,1307 0.603,1308 1.007,1309 0.941,1310 0.092,1311 0.977,1312 3.714,1314 4.977,1316 6.444,1318 8.007,1320 9.623,1322 5.678,1323 5.947,1326 5.691,1328 3.308,1329 2.859,1330 5.162,1333 2.23,1340 24.589,1341 68.312,1342 138.236,1343 174.213,1344 188.213,1345 188.213,1346 188.213,1347 53.261,1348 5.832,1349 67.59,1350 67.59,1351 6,1352 11.813,1353 3,1354 2.322,1355 49.645,1356 64,1357 62,1358 0.385,1359 162.668,1360 282.73,1361 388.671,1362 1922,1363 2.4,1364 15.121,1365 0.756,1366 0.648,1367 15.621,1368 12.958,1369 9.528,1370 0.476,1371 0.352,1372 6.578,1373 8.79,1374 6.3,1375 5.308,1376 9.816,1377 7.043,1378 7.849,1379 0.302,1380 0.183,1381 8.22,1382 4.764,1383 6.577,1384 0.206,1385 0.109,1386 6.98,1387 3.499,1388 4.545,1389 0.13,1390 0.058,1391 4.749,1392 2.042,1393 3.346,1394 0.084,1395 0.029,1396 3.646,1397 1.141,1398 0.6,1399 63.389,1400 0.287,1401 20.07,1402 1.058,1403 92,1404 296.965,1405 117.441,1406 310.754,1407 401.36,1408 288,1409 104,1410 257.692,1411 125.876,1412 270.818,1413 391.28,1414 252,1415 4.699}
{0 CHEMBL86031,1 1.341,2 13.179,3 2.913,4 8.483,5 109.731,6 6.561,7 0.387,8 4.136,9 4.255,10 3.607,11 3.669,12 5.078,13 3.625,14 4.745,15 4.929,16 3.958,17 4.098,18 5.609,19 4.029,20 5.076,21 5.297,22 4.004,23 4.304,24 5.924,25 4.175,26 5.183,27 5.461,28 3.828,29 4.282,30 5.917,31 4.099,32 5.089,33 5.376,34 3.778,35 4.19,36 5.853,37 4.012,38 4.975,39 5.237,40 3.703,41 4.106,42 5.815,43 3.938,44 4.899,45 5.164,46 3.541,47 4.005,48 5.689,49 3.825,50 4.775,51 5.053,52 3.446,53 3.866,54 5.515,55 3.69,56 0.042,57 0.782,58 13.728,59 5.954,60 6.414,61 8.04,62 0.225,63 1.342,64 26.316,65 9.905,66 16.559,67 13.727,68 0.411,69 1.753,70 36.935,71 14.254,72 39.197,73 19.836,74 0.338,75 1.867,76 41.115,77 15.715,78 41.887,79 22.53,80 0.388,81 1.697,82 37.419,83 14.307,84 43.328,85 20.674,86 0.385,87 1.515,88 33.474,89 12.842,90 44.274,91 18.179,92 0.352,93 1.379,94 31.127,95 11.897,96 38.77,97 16.729,98 0.222,99 1.22,100 27.324,101 10.481,102 28.31,103 14.913,104 5,105 43,106 0.22,107 0.512,108 0.733,109 0.811,110 0.824,111 0.83,112 3.374,113 1.024,114 -1.06,115 -1.16,116 -1.25,121 41.4,123 4,124 1,126 1,127 5,144 8,145 2,146 2,159 1,176 13,180 4,187 13,189 3,191 1,192 7,200 9,203 3,206 4,214 6,216 3,218 1,219 3,227 10,229 2,231 1,232 2,239 12,244 2,246 1,251 9,253 1,256 3,264 5,266 2,269 3,277 4,279 1,281 1214,282 19.068,283 19.068,284 19.068,285 19.068,286 19.068,287 17.501,288 22.272,289 11.343,290 19.443,291 15.31,292 15.31,293 15.31,294 15.31,295 15.31,296 12.912,297 26.051,298 5.419,299 15.918,300 4.517,301 2.739,302 1.397,303 0.923,304 0.841,305 0.806,306 4.074,311 1,312 1,313 812,314 3.391,318 368.172,322 142.217,325 2.048,326 21.831,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 59.5,338 369,339 4.335,340 3.679,341 6.998,342 4.22,343 3.303,344 3.975,345 1.277,346 11.915,347 3.035,348 4.324,349 3.609,350 6.25,351 3.951,352 2.976,353 3.531,354 1.26,355 9.417,356 2.924,357 3.898,358 3.219,359 5.899,360 3.593,361 2.61,362 3.239,363 0.86,364 8.154,365 2.536,366 3.806,367 2.605,368 5.348,369 3.448,370 2.451,371 3.159,372 0.86,373 6.964,374 2.437,375 3.383,376 2.383,377 5.249,378 3.308,379 2.319,380 2.403,381 0.245,382 6.673,383 2.286,384 2.925,385 2.198,386 4.449,387 2.539,388 1.618,389 2.063,391 4.434,392 1.513,393 2.886,394 2.053,395 4.17,396 2.522,397 1.557,398 2.027,400 3.801,401 1.465,402 2.861,403 1.684,404 3.802,405 2.435,406 1.439,407 1.917,409 3.074,410 1.432,411 2.5,412 1.534,413 3.709,414 2.264,415 1.306,416 1.5,418 2.938,419 1.233,420 2.452,421 1.115,422 3.606,423 2,424 1,425 1.444,427 2.372,428 1,429 2,430 1.077,431 3.328,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.889,439 1,440 3.247,441 1.68,442 0.716,443 0.814,445 1.647,446 0.679,447 1.776,448 0.993,449 3.172,450 1.512,451 0.557,452 0.638,454 1.314,455 0.529,456 1.216,457 0.393,458 3,459 1.037,460 0.05,461 0.055,463 0.129,464 0.049,465 0.886,466 0.1,467 2.491,468 0.706,469 -0.277,470 -0.307,472 -0.672,473 -0.27,474 13.4,475 0.479,476 0.646,477 0.023,478 32.25,479 1.152,480 14.5,481 0.518,482 17.75,483 0.634,484 26.453,485 0.945,486 31.3,487 0.54,488 21.958,489 0.784,490 6.09,491 0.217,492 7.522,493 0.269,494 0.062,495 0.03,496 0.224,501 0.781,502 1.376,503 0.888,504 1.211,505 0.58,506 1.082,507 1.203,508 1.046,509 1.03,510 0.994,511 0.667,512 0.976,513 0.991,514 1.137,515 1.109,516 1.133,517 0.887,518 1.133,519 0.765,520 1.014,521 0.967,522 1.015,523 0.973,524 1.015,525 0.559,526 0.915,527 0.847,528 0.924,529 0.825,530 0.919,531 0.795,532 0.998,533 0.999,534 1.028,535 1.266,536 1.037,537 0.977,538 0.987,539 1.066,540 1.021,541 1.526,542 1.056,543 0.799,544 1.01,545 0.923,546 1.005,547 0.938,548 0.986,549 6,550 0.14,551 3.111,552 1.313,553 1.6,554 0.743,555 0.424,556 0.328,557 0.225,558 0.142,559 11673,560 24376,561 2.128,562 51.7,563 3,564 21,568 2,569 4,572 1.703,573 2.036,574 3.679,575 -0.848,576 1,577 1,582 77.762,583 1.341,584 3.119,585 4.461,586 4.935,587 5.017,588 5.052,589 3.128,590 4.182,591 4.78,592 3.842,593 1452.46,594 8.27,595 20186.1,597 1,599 1,600 339.763,601 1.299,602 4.752,603 0.194,604 0.007,605 0.072,606 0.031,607 0.047,608 0.023,609 0.014,610 0.013,611 0.01,612 0.006,613 0.417,614 0.5,615 1,616 0.444,617 143.987,618 0.026,619 -0.172,620 0.08,621 -0.074,622 0.016,623 -0.005,624 -0.111,625 0.092,626 -0.024,627 0.033,628 0.019,629 0.024,630 0.006,631 -0.105,632 -0.125,633 -0.12,634 0.025,635 -0.136,636 -0.014,637 -0.055,638 -0.012,639 -0.043,640 -0.013,641 -0.029,642 0.123,643 0.04,644 0.102,645 0.043,646 0.088,647 0.068,648 0.066,649 -0.029,650 -0.032,651 -0.046,652 -0.008,653 -0.049,654 -0.033,655 -0.038,656 -0.093,657 -0.043,658 -0.17,659 -0.074,660 0.007,661 -0.069,662 0.037,663 -0.032,664 -0.024,665 -0.001,666 1.455,667 5.641,668 0.786,669 29.168,670 0.99,671 1.123,672 -0.168,673 0.028,674 0.645,675 3.466,676 3.784,677 4.007,678 4.22,679 4.477,680 4.431,681 4.489,682 4.585,683 4.625,684 4.575,685 7.627,686 0.6,687 380.55,688 3.466,689 5.004,690 5.838,691 6.706,692 7.554,693 8.424,694 9.279,695 10.15,696 11.007,697 11.878,698 1.7,712 1,715 8,720 4,722 12,727 1,739 2,741 58,743 13,744 2,745 31,747 61,748 24,749 12,750 4,751 8,752 1,756 4,757 5,767 2,768 1,770 4,772 13,773 11,774 1,777 1,782 1,786 1,790 1,793 30,794 3,796 4,802 1,803 1,807 1,808 0.75,809 3,829 4,833 1,859 3,864 1,868 28,876 9,878 2,880 1,883 1,893 5.2,896 1,898 2,901 13.75,902 10.5,903 6.097,904 3.847,907 1.975,908 1.262,909 0.953,910 5.911,911 9.51,912 3.664,913 4.174,914 4.635,915 5.088,916 5.577,917 5.59,918 5.776,919 5.856,920 5.923,921 5.867,922 0.889,923 42,924 10.443,926 4.436,927 0.026,929 7.524,931 20.715,933 17.61,936 2.024,937 56.667,940 1,941 353.133,942 131.838,945 47.145,948 131.838,949 400.278,951 8.396,952 25.64,953 75.81,954 30.278,955 38.858,957 353.133,959 353.133,960 131.838,961 47.145,964 306.049,965 94.229,968 25.64,969 106.198,972 353.133,973 47.145,974 131.838,977 353.133,978 47.631,979 84.206,981 47.145,982 353.133,983 47.145,984 131.838,986 0.581,987 0.33,988 0.17,989 0.099,990 21,991 8,992 0.098,993 6,994 1,995 1.091,996 4.156,997 233.934,998 0.091,999 22,1000 124.606,1005 19.322,1006 8.566,1007 4.899,1009 47.145,1010 16.331,1015 3.594,1018 532.116,1019 38,1024 12.641,1028 0.212,1031 57.396,1032 65.147,1034 0.229,1035 0.532,1036 0.762,1037 0.843,1038 0.857,1039 0.862,1040 4.913,1041 1.439,1042 5.832,1043 3.801,1044 4.466,1045 4.86,1046 2.271,1047 6.635,1048 4.395,1049 6.086,1050 1.306,1051 7.388,1052 3.074,1053 4.111,1054 4.575,1055 0.931,1056 7.769,1057 3.976,1058 7.381,1059 1,1060 9.055,1061 2.938,1062 6.103,1063 6.912,1064 2.428,1065 10.74,1066 5.947,1067 8.708,1068 1,1069 10.792,1070 2.372,1071 6.581,1072 7.409,1073 1.381,1074 12.719,1075 6.339,1076 10.068,1077 0.716,1078 12.576,1079 2.136,1080 8.052,1081 9.255,1082 2.737,1083 15.286,1084 7.785,1085 11.449,1086 0.557,1087 14.392,1088 1.647,1089 8.903,1090 10.117,1091 1.783,1092 17.572,1093 8.539,1094 12.847,1095 0.05,1096 16.231,1097 1.314,1098 10.176,1099 11.745,1100 3.126,1101 20.045,1102 9.772,1103 3.303,1104 -0.277,1105 18.087,1106 0.129,1107 11.198,1108 12.803,1109 2.192,1110 22.444,1111 10.698,1112 2.976,1113 11.915,1114 19.958,1115 -0.672,1116 12.397,1117 14.317,1118 3.559,1119 24.902,1120 11.841,1121 2.61,1122 9.417,1123 21.839,1124 3.975,1125 13.499,1126 15.492,1127 2.615,1128 27.344,1129 12.85,1130 2.451,1131 8.154,1132 23.73,1133 3.531,1134 14.675,1135 16.943,1136 4.015,1137 29.805,1138 13.957,1139 2.319,1140 6.964,1141 25.627,1142 3.239,1143 15.816,1144 18.189,1145 3.05,1146 32.265,1147 15.007,1148 1.618,1149 6.673,1150 27.532,1151 3.159,1152 16.987,1153 19.604,1154 4.483,1155 34.732,1156 16.101,1157 1.557,1158 4.434,1159 29.441,1160 2.403,1161 18.147,1162 20.897,1163 3.495,1164 37.2,1165 17.172,1166 10851,1167 15867,1168 21.148,1169 37.409,1170 46.197,1171 47.139,1172 46.778,1173 45.888,1174 45.802,1175 55.536,1176 9.005,1177 129.937,1178 44.202,1179 5.335,1180 5.679,1181 6.8,1182 5.36,1183 5.303,1184 6.975,1185 2.555,1186 18.337,1187 5.035,1188 9.485,1189 1.49,1190 1.521,1191 1.509,1192 1.48,1193 1.477,1194 1.791,1195 0.29,1196 4.192,1197 1.426,1198 4.035,1199 4.087,1200 3.954,1201 3.92,1202 7.427,1203 3.922,1204 3.952,1205 3.969,1206 3.891,1207 3.857,1208 4.939,1209 3.86,1210 3.836,1211 3.877,1212 3.735,1213 3.738,1214 4.757,1215 3.731,1216 3.609,1217 3.656,1218 3.504,1219 3.421,1220 4.37,1221 3.432,1222 3.445,1223 3.502,1224 3.299,1225 3.253,1226 4.291,1227 3.258,1228 3.251,1229 3.315,1230 3.1,1231 3.084,1232 4.208,1233 3.077,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.967,1239 2.91,1240 2.973,1241 3.055,1242 2.808,1243 2.829,1244 3.674,1245 2.813,1246 0.14,1247 0.119,1248 0.226,1249 0.136,1250 0.107,1251 4.335,1252 0.128,1253 3.679,1254 0.041,1255 6.998,1256 0.384,1257 4.22,1258 0.098,1259 3.303,1260 3.975,1261 1.277,1262 11.915,1263 3.035,1264 1.975,1265 1.932,1266 2.147,1267 2.141,1268 1.543,1269 2.147,1270 1.917,1271 1.901,1272 2.027,1273 2.036,1274 1.232,1275 2.026,1276 1.843,1277 1.8,1278 1.988,1279 1.95,1280 1.126,1281 1.97,1282 1.567,1283 1.514,1284 1.8,1285 1.781,1286 1.032,1287 1.789,1288 1.416,1289 1.359,1290 1.681,1291 1.635,1292 0.922,1293 1.653,1294 1.247,1295 1.182,1296 1.552,1297 1.458,1298 0.825,1299 1.491,1300 1.153,1301 1.064,1302 1.513,1303 1.376,1304 0.778,1305 1.429,1306 1.004,1307 0.927,1308 1.362,1309 1.222,1310 0.504,1311 1.276,1312 4.143,1314 5.46,1316 6.976,1318 8.577,1320 10.218,1322 2.365,1328 8.621,1330 11.138,1332 0.656,1335 1.108,1340 34.804,1341 77.762,1342 180.901,1343 258.743,1344 286.253,1345 291.008,1346 293.008,1347 47.653,1348 7.535,1349 35.53,1350 35.53,1351 24,1352 12.423,1353 3.807,1354 3,1355 42.83,1356 131,1357 114,1358 0.158,1359 211.168,1360 372.73,1361 507.01,1362 21688,1364 19.399,1365 0.693,1366 0.599,1367 19.399,1368 16.785,1369 13.612,1370 0.439,1371 0.341,1372 10.448,1373 13.149,1374 10.213,1375 8.437,1376 13.612,1377 10.581,1378 12.395,1379 0.288,1380 0.203,1381 12.395,1382 8.737,1383 10.234,1384 0.19,1385 0.119,1386 10.234,1387 6.43,1388 8.116,1389 0.121,1390 0.069,1391 8.116,1392 4.625,1393 6.955,1394 0.08,1395 0.042,1396 6.955,1397 3.659,1398 0.257,1399 84.846,1400 0.217,1401 27.445,1402 0.408,1403 148,1404 359.539,1405 159.632,1406 340.821,1407 466.98,1408 322,1409 171,1410 339.517,1411 184.353,1412 342.147,1413 498.79,1414 323,1415 7}
{0 CHEMBL86233,1 1.388,2 12.464,3 3.905,4 15.251,5 116.822,6 6.838,7 0.516,8 4.133,9 4.249,10 3.685,11 3.714,12 5.073,13 3.642,14 4.724,15 4.911,16 4.065,17 4.155,18 5.544,19 4.053,20 4.991,21 5.193,22 4.091,23 4.356,24 5.769,25 4.196,26 5.184,27 5.455,28 4.044,29 4.37,30 5.851,31 4.169,32 5.103,33 5.367,34 3.988,35 4.302,36 5.799,37 4.105,38 4.997,39 5.248,40 3.793,41 4.256,42 5.671,43 4.032,44 4.955,45 5.242,46 3.621,47 4.099,48 5.575,49 3.867,50 4.682,51 4.932,52 3.507,53 3.901,54 5.372,55 3.699,56 0.057,57 0.782,58 14.315,59 6.2,60 10.834,61 8.131,62 0.25,63 1.358,64 27.917,65 10.535,66 19.539,67 13.783,68 0.316,69 1.747,70 37.831,71 15.109,72 25.61,73 19.703,74 0.295,75 1.997,76 45.969,77 17.742,78 30.343,79 23.735,80 0.351,81 1.844,82 44.663,83 16.559,84 32.745,85 21.506,86 0.203,87 1.721,88 40.466,89 15.811,90 23.676,91 20.748,92 0.237,93 1.562,94 36.691,95 14.292,96 24.937,97 19.094,98 0.167,99 1.219,100 29.207,101 11.268,102 17.767,103 14.528,104 14,105 44,106 0.227,107 0.518,108 0.73,109 0.792,110 0.806,111 0.811,112 3.374,113 1.073,114 -1.6,115 -1.67,116 -1.71,121 41.4,123 3,124 1,126 3,127 3,144 8,145 2,146 2,154 2,176 11,180 2,187 16,189 3,191 1,192 3,200 9,203 3,206 3,214 9,216 3,219 2,227 9,229 1,232 2,239 11,241 2,244 2,251 6,253 1,256 4,264 5,266 2,277 6,281 1188,282 19.135,283 19.135,284 19.135,285 19.135,286 19.135,287 17.274,288 21.507,289 11.161,290 19.793,291 15.209,292 15.209,293 15.209,294 15.209,295 15.209,296 12.307,297 23.253,298 5.186,299 16.125,300 4.47,301 2.692,302 1.397,303 1.018,304 0.936,305 0.901,306 4.072,311 1,312 1,313 759,314 3.24,317 65.266,318 278.178,321 124.072,325 2.036,326 11.741,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 58.5,338 349,339 4.544,340 3.679,341 6.998,342 4.221,343 3.304,344 4.486,345 1.26,346 11.915,347 3.035,348 4.326,349 3.268,350 6.398,351 4.038,352 3.095,353 3.532,354 0.86,355 9.988,356 2.916,357 3.99,358 2.926,359 5.947,360 3.605,361 2.668,362 3.492,363 0.86,364 8.438,365 2.523,366 3.807,367 2.604,368 5.464,369 3.433,370 2.449,371 3.16,372 0.245,373 7.253,374 2.388,375 3.501,376 2.457,377 5.289,378 3.312,379 2.335,380 2.684,382 6.765,383 2.262,384 3.178,385 2.215,386 4.873,387 2.749,388 1.806,389 2.471,391 5.468,392 1.685,393 3.078,394 1.951,395 4.717,396 2.697,397 1.771,398 2.175,400 5.118,401 1.623,402 2.867,403 1.531,404 3.943,405 2.434,406 1.437,407 2.013,409 3.072,410 1.432,411 2.5,412 1.427,413 3.802,414 2,415 1.136,416 1.5,418 2.841,419 1,420 2.399,421 1.077,422 3.707,423 1.985,424 1,425 1.376,427 2.372,428 0.983,429 2,430 1.016,431 3.314,432 1.984,433 1,434 1,436 2.136,437 0.949,438 1.554,439 1,440 3.247,441 1.328,442 0.401,443 0.433,445 0.897,446 0.358,447 1.515,448 0.518,449 2.928,450 1.204,451 0.312,452 0.333,454 0.488,455 0.283,456 1.403,457 0.464,458 2.887,459 1.122,460 0.241,461 0.311,463 0.458,464 0.209,465 1.071,466 0.132,467 2.718,468 0.833,469 -0.137,470 -0.158,472 -0.37,473 -0.132,474 13.9,475 0.496,476 0.676,477 0.024,478 32.5,479 1.161,480 15,481 0.536,482 17.5,483 0.625,484 28.163,485 1.006,486 30.8,487 0.531,488 21.154,489 0.756,490 6.144,491 0.219,492 7.438,493 0.266,494 0.108,495 0.029,496 0.252,501 0.899,502 1.286,503 0.838,504 1.067,505 0.837,506 1.035,507 1.514,508 0.82,509 0.921,510 0.751,511 0.994,512 0.812,513 0.77,514 1.207,515 1.194,516 1.222,517 0.723,518 1.196,519 0.668,520 1.012,521 0.887,522 0.994,523 0.67,524 0.985,525 0.999,526 0.931,527 1.054,528 0.99,529 1.013,530 0.947,531 0.468,532 1.218,533 1.293,534 1.324,535 0.8,536 1.219,537 0.687,538 0.969,539 0.969,540 0.984,541 0.883,542 0.99,543 0.808,544 1.185,545 1.24,546 1.258,547 0.994,548 1.141,549 7,550 0.192,551 2.667,552 2.167,553 1.649,554 0.837,555 0.639,556 0.301,557 0.326,558 0.117,559 10874,560 22743,561 2.106,562 51.7,563 1,564 23,568 2,569 4,572 1.705,573 1.988,574 3.608,575 -0.848,577 1,582 80.517,583 1.388,584 3.166,585 4.461,586 4.84,587 4.922,588 4.957,589 3.101,590 3.923,591 4.778,592 3.776,593 1427.43,594 8.277,595 19400.5,597 1,599 1,600 339.763,601 1.454,602 4.74,603 0.226,604 0.009,605 0.061,606 0.05,607 0.043,608 0.023,609 0.021,610 0.012,611 0.014,612 0.005,613 0.465,614 0.67,615 1,616 0.789,617 142.809,618 0.053,619 -0.146,620 0.097,621 -0.029,622 0.09,623 0.003,624 -0.176,625 0.29,626 0.084,627 0.24,628 0.035,629 0.165,630 0.074,631 -0.148,632 -0.15,633 -0.166,634 0.09,635 -0.18,636 0.064,637 -0.045,638 0.072,639 -0.02,640 0.109,641 0.002,642 -0.036,643 0.054,644 0.02,645 0.037,646 -0.052,647 0.04,649 -0.211,650 -0.185,651 -0.228,652 -0.132,653 -0.189,654 -0.005,655 -0.025,656 -0.003,657 -0.007,658 -0.091,659 -0.003,660 -0.001,661 -0.194,662 -0.138,663 -0.19,664 -0.117,665 -0.133,666 0.856,667 1.955,668 0.75,669 29.602,670 0.985,671 1.118,672 0.372,673 0.138,674 0.666,675 3.466,676 3.807,677 4.06,678 4.331,679 4.564,680 4.605,681 4.762,682 4.868,683 4.898,684 5.011,685 7.306,686 0.608,687 396.62,688 3.466,689 5.017,690 5.866,691 6.756,692 7.622,693 8.515,694 9.389,695 10.282,696 11.16,697 12.054,698 1.7,712 1,714 2,715 8,719 1,720 4,722 16,739 2,741 58,743 16,744 2,745 31,747 61,748 24,749 14,750 5,751 7,756 4,757 5,767 2,768 1,770 3,772 14,773 10,774 1,790 1,793 30,794 2,796 4,797 1,802 1,803 1,807 1,808 0.75,809 2,828 1,829 3,832 1,859 3,862 1,864 3,868 28,876 6,878 2,880 1,883 1,888 1,893 3.4,898 2,901 14.083,902 11.25,903 6.181,904 3.611,907 2.862,908 1.371,909 0.963,910 5.931,911 10.58,912 3.689,913 4.287,914 4.845,915 5.439,916 5.956,917 6.221,918 6.607,919 6.924,920 6.841,921 6.992,922 1,923 43,924 10.376,926 4.319,927 0.026,929 7.381,931 20.815,933 17.607,936 1.881,937 52.667,939 1,940 1,941 353.133,942 169.52,945 22,947 31.278,948 138.243,949 375.133,951 30.162,952 13.921,953 75.81,955 38.245,956 2.104,957 384.411,959 353.133,960 138.243,961 22,962 31.278,964 306.049,965 69.084,968 13.921,969 124.322,971 31.278,972 353.133,973 22,974 169.52,977 353.133,978 63.548,979 105.972,981 22,982 353.133,983 22,984 169.52,986 0.58,987 0.34,988 0.185,989 0.103,990 22,991 9,992 0.098,993 6,994 1,995 1.095,996 4.058,997 240.343,998 0.095,999 21,1000 126.606,1001 1,1005 19.72,1006 8.421,1007 4.545,1008 2.548,1009 22,1010 17.477,1014 1.902,1015 4.561,1018 544.653,1019 39,1031 57.145,1032 64.858,1034 0.237,1035 0.541,1036 0.762,1037 0.826,1038 0.84,1039 0.846,1040 4.942,1041 1.437,1042 5.878,1043 5.118,1044 4.489,1045 4.973,1046 1.86,1047 6.715,1048 4.378,1049 6.151,1050 1.136,1051 7.454,1052 3.072,1053 4.205,1054 4.832,1055 0.931,1056 7.863,1057 3.998,1058 7.472,1059 1,1060 9.135,1061 2.841,1062 6.159,1063 7.179,1064 1.793,1065 10.854,1066 5.932,1067 8.827,1068 1,1069 10.88,1070 2.372,1071 6.686,1072 7.85,1073 1.381,1074 12.815,1075 6.336,1076 10.213,1077 0.401,1078 12.668,1079 2.136,1080 8.134,1081 9.7,1082 1.909,1083 15.394,1084 7.765,1085 11.619,1086 0.312,1087 14.485,1088 0.897,1089 9.016,1090 10.768,1091 1.783,1092 17.664,1093 8.523,1094 13.042,1095 0.241,1096 16.323,1097 0.488,1098 10.278,1099 12.413,1100 2.152,1101 20.139,1102 9.749,1103 3.304,1104 -0.137,1105 18.178,1106 0.458,1107 11.32,1108 13.69,1109 2.192,1110 22.525,1111 10.676,1112 3.095,1113 11.915,1114 20.046,1115 -0.37,1116 12.516,1117 15.244,1118 2.484,1119 24.979,1120 11.817,1121 2.668,1122 9.988,1123 21.925,1124 4.486,1125 13.629,1126 16.631,1127 2.615,1128 27.411,1129 12.826,1130 2.449,1131 8.438,1132 23.813,1133 3.532,1134 14.805,1135 18.147,1136 2.871,1137 29.867,1138 13.934,1139 2.335,1140 7.253,1141 25.708,1142 3.492,1143 15.95,1144 19.59,1145 3.05,1146 32.319,1147 14.984,1148 1.806,1149 6.765,1150 27.61,1151 3.16,1152 17.122,1153 21.092,1154 3.291,1155 34.78,1156 16.08,1157 1.771,1158 5.468,1159 29.517,1160 2.684,1161 18.283,1162 22.563,1163 3.495,1164 37.242,1165 17.151,1166 10284,1167 15033,1168 20.86,1169 38.603,1170 46.098,1171 46.486,1172 47.543,1173 45.852,1174 45.908,1175 57.932,1176 6.45,1177 134.417,1178 43.289,1179 5.544,1180 5.679,1181 6.8,1182 5.338,1183 5.304,1184 7.486,1185 2.12,1186 18.642,1187 5.035,1188 12.187,1189 1.487,1190 1.5,1191 1.534,1192 1.479,1193 1.481,1194 1.869,1195 0.208,1196 4.336,1197 1.396,1198 4.105,1199 4.123,1200 4.336,1201 4.115,1202 4.974,1203 4.065,1204 3.989,1205 4.029,1206 3.909,1207 3.886,1208 4.756,1209 3.882,1210 3.828,1211 3.87,1212 3.728,1213 3.726,1214 4.556,1215 3.72,1216 3.554,1217 3.593,1218 3.593,1219 3.425,1220 4.496,1221 3.414,1222 3.37,1223 3.423,1224 3.263,1225 3.199,1226 4.354,1227 3.19,1228 3.249,1229 3.314,1230 3.077,1231 2.967,1232 3.951,1233 2.97,1234 3.111,1235 3.206,1236 2.909,1237 2.941,1238 3.737,1239 2.91,1240 3.067,1241 3.151,1242 2.866,1243 2.878,1244 3.674,1245 2.862,1246 0.147,1247 0.119,1248 0.226,1249 0.136,1250 0.107,1251 4.544,1252 0.145,1253 3.679,1254 0.041,1255 6.998,1256 0.384,1257 4.221,1258 0.098,1259 3.304,1260 4.486,1261 1.26,1262 11.915,1263 3.035,1264 1.971,1265 1.925,1266 2.14,1267 2.137,1268 1.536,1269 2.143,1270 1.908,1271 1.903,1272 2.01,1273 1.987,1274 1.199,1275 1.985,1276 1.85,1277 1.81,1278 1.96,1279 1.948,1280 1.139,1281 1.97,1282 1.567,1283 1.529,1284 1.744,1285 1.713,1286 1.006,1287 1.742,1288 1.3,1289 1.244,1290 1.581,1291 1.53,1292 0.825,1293 1.546,1294 1.218,1295 1.173,1296 1.572,1297 1.513,1298 0.748,1299 1.533,1300 1.181,1301 1.102,1302 1.513,1303 1.397,1304 0.583,1305 1.458,1306 1.153,1307 1.064,1308 1.476,1309 1.376,1310 0.574,1311 1.429,1312 4.143,1314 5.476,1315 2.398,1316 7.004,1317 4.727,1318 8.616,1319 6.823,1320 10.271,1322 5.815,1328 7.498,1330 10.908,1332 0.791,1335 1.168,1340 35.277,1341 80.517,1342 183.655,1343 258.743,1344 280.743,1345 285.498,1346 287.498,1347 38.284,1348 7.718,1349 18.46,1350 46.7,1351 23,1352 12.583,1353 4.087,1354 3.17,1355 42.758,1356 125,1357 114,1358 0.169,1359 218.303,1360 371.55,1361 524.419,1362 24816,1364 19.562,1365 0.699,1366 0.642,1367 19.916,1368 17.98,1369 13.582,1370 0.438,1371 0.358,1372 10.204,1373 12.671,1374 9.775,1375 8.165,1376 13.99,1377 11.085,1378 12.364,1379 0.281,1380 0.222,1381 13.032,1382 9.747,1383 10.35,1384 0.182,1385 0.131,1386 11.085,1387 7.47,1388 8.644,1389 0.115,1390 0.078,1391 9.527,1392 5.84,1393 7.167,1394 0.075,1395 0.049,1396 7.999,1397 4.631,1398 0.271,1399 88.584,1400 0.219,1401 27.157,1402 0.444,1403 150,1404 336.664,1405 183.822,1406 345.88,1407 481.92,1408 328,1409 176,1410 339.806,1411 207.634,1412 367.254,1413 533,1414 342,1415 4.523}
{0 CHEMBL86835,1 1.285,2 12.519,3 3.185,4 10.145,5 108.546,6 6.396,7 0.4,8 4.109,9 4.234,10 3.561,11 3.671,12 5.023,13 3.613,14 4.722,15 4.914,16 3.918,17 4.115,18 5.548,19 4.03,20 5.055,21 5.286,22 3.921,23 4.307,24 5.851,25 4.157,26 5.176,27 5.462,28 3.768,29 4.276,30 5.883,31 4.079,32 5.069,33 5.365,34 3.708,35 4.167,36 5.774,37 3.978,38 4.947,39 5.208,40 3.667,41 4.087,42 5.805,43 3.916,44 4.888,45 5.164,46 3.459,47 4.001,48 5.627,49 3.8,50 4.751,51 5.045,52 3.378,53 3.861,54 5.415,55 3.665,56 0.055,57 0.769,58 13.622,59 5.905,60 7.083,61 8.149,62 0.194,63 1.344,64 25.73,65 10.013,66 14.508,67 14.146,68 0.252,69 1.758,70 35.711,71 14.418,72 32.086,73 20.303,74 0.307,75 1.877,76 40.325,77 15.851,78 39.1,79 22.721,80 0.252,81 1.684,82 36.082,83 14.223,84 30.605,85 20.512,86 0.372,87 1.488,88 32.349,89 12.592,90 45.795,91 17.757,92 0.305,93 1.388,94 30.295,95 12.046,96 35.123,97 17.031,98 0.169,99 1.219,100 26.104,101 10.567,102 22.199,103 15.151,104 5,105 42,106 0.212,107 0.508,108 0.745,109 0.83,110 0.838,111 0.838,112 3.339,113 1.044,114 -1.6,115 -1.67,116 -1.71,121 42.1,123 5,124 1,126 1,127 4,144 8,145 3,146 1,159 1,176 15,180 5,187 16,189 3,192 5,200 12,203 3,206 4,214 8,216 3,219 3,227 12,229 2,231 1,232 1,239 14,244 1,246 1,251 12,253 1,256 1,264 7,266 2,269 3,277 4,279 2,281 1108,282 18.361,283 18.361,284 18.361,285 18.361,286 18.361,287 16.794,288 20.337,289 10.843,290 18.598,291 14.81,292 14.81,293 14.81,294 14.81,295 14.81,296 12.412,297 22.377,298 5.172,299 15.19,300 4.548,301 2.752,302 1.316,303 0.798,304 0.75,305 0.75,306 4.038,311 1,312 1,313 747,314 3.391,317 73.828,318 274.273,321 127.269,325 2.055,326 17.747,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 56.5,338 338,339 4.342,340 3.679,341 6.998,342 4.22,343 3.303,344 3.981,345 1.277,346 11.915,347 3.035,348 4.325,349 3.608,350 6.257,351 3.977,352 2.988,353 3.531,354 1.26,355 9.438,356 2.963,357 3.906,358 3.191,359 5.904,360 3.619,361 2.619,362 3.247,363 0.86,364 8.169,365 2.604,366 3.807,367 2.605,368 5.348,369 3.45,370 2.452,371 3.159,372 0.245,373 6.964,374 2.446,375 3.383,376 2.383,377 5.249,378 3.309,379 2.319,380 2.403,382 6.673,383 2.289,384 2.899,385 2.059,386 4.405,387 2.529,388 1.535,389 2.034,391 4.288,392 1.528,393 2.876,394 1.827,395 4.166,396 2.487,397 1.502,398 2.023,400 3.788,401 1.464,402 2.854,403 1.534,404 3.802,405 2.433,406 1.435,407 1.908,409 3.073,410 1.43,411 2.5,412 1.443,413 3.709,414 2,415 1.059,416 1.5,418 2.387,419 1,420 2.179,421 1.114,422 3.439,423 1.99,424 1,425 1.152,427 2.372,428 0.983,429 2,430 1.077,431 3.324,432 1.984,433 1,434 1,436 2.136,437 0.976,438 1.803,439 1,440 3.247,441 1.652,442 0.639,443 0.709,445 1.483,446 0.643,447 1.62,448 0.661,449 3.082,450 1.334,451 0.375,452 0.443,454 0.925,455 0.357,456 1.216,457 0.388,458 2.945,459 1.031,460 0.042,461 0.046,463 0.107,464 0.041,465 0.884,466 0.067,467 2.482,468 0.703,469 -0.284,470 -0.314,472 -0.683,473 -0.278,474 13.067,475 0.484,476 0.646,477 0.024,478 30.75,479 1.139,480 14,481 0.519,482 16.75,483 0.62,484 25.84,485 0.957,486 29.833,487 0.523,488 20.101,489 0.744,490 5.672,491 0.21,492 7.439,493 0.276,494 0.064,495 0.031,496 0.23,501 0.752,502 1.325,503 0.922,504 1.165,505 0.556,506 1.073,507 1.147,508 1.031,509 1.036,510 0.986,511 0.604,512 0.984,513 0.984,514 1.174,515 1.14,516 1.172,517 0.875,518 1.169,519 0.851,520 0.998,521 0.985,522 0.998,523 1.008,524 1.003,525 0.675,526 0.909,527 0.852,528 0.913,529 0.92,530 0.898,531 1.022,532 0.992,533 1.043,534 1.02,535 1.632,536 1.032,537 0.986,538 0.981,539 1.072,540 1.016,541 1.42,542 1.054,543 0.602,544 0.964,545 0.856,546 0.959,547 0.56,548 0.937,549 6,550 0.139,551 3.111,552 1.382,553 1.413,554 0.691,555 0.452,556 0.298,557 0.211,558 0.148,559 10625,560 20748,561 2.133,562 52.6,563 3,564 19,568 2,569 6,572 1.693,573 2.038,574 3.61,575 -0.879,576 1,577 1,582 73.229,583 1.285,584 3.081,585 4.517,586 5.034,587 5.083,588 5.083,589 3.087,590 4.459,591 4.728,592 3.793,593 1331.21,594 8.164,595 17969.2,597 1,599 1,600 332.475,601 1.326,602 4.698,603 0.2,604 0.007,605 0.074,606 0.035,607 0.044,608 0.022,609 0.016,610 0.013,611 0.01,612 0.007,613 0.428,614 0.67,615 1,616 0.454,617 137.036,618 0.041,619 -0.133,620 0.077,621 -0.04,622 0.02,623 0.01,624 -0.094,625 0.108,626 -0.021,627 0.043,628 0.028,629 0.027,630 -0.073,631 -0.143,632 -0.159,633 -0.159,634 0.002,635 -0.165,636 -0.023,637 -0.044,638 -0.022,639 -0.033,640 -0.022,641 -0.028,642 0.045,643 0.041,644 0.102,645 0.047,646 0.015,647 0.077,648 0.077,649 -0.025,650 -0.053,651 -0.044,652 -0.034,653 -0.057,654 -0.02,655 -0.037,656 -0.1,657 -0.042,658 -0.156,659 -0.077,660 0.057,661 -0.027,662 0.089,663 0.013,664 0.043,665 0.048,666 1.378,667 5.611,668 0.778,669 27.226,670 0.984,671 1.122,672 0.372,673 0.138,674 0.648,675 3.434,676 3.761,677 3.989,678 4.205,679 4.407,680 4.394,681 4.454,682 4.543,683 4.466,684 4.522,685 7.401,686 0.598,687 364.55,688 3.434,689 4.977,690 5.814,691 6.686,692 7.537,693 8.411,694 9.268,695 10.142,696 11.001,697 11.875,698 1.8,712 1,715 8,720 4,722 12,727 1,739 1,741 57,743 13,744 2,745 30,747 60,748 24,749 12,750 4,751 8,752 1,756 4,757 5,767 3,768 1,770 5,772 13,773 11,774 1,777 1,782 1,786 1,790 1,793 30,794 2,796 3,802 1,803 1,807 1,808 0.75,809 2,828 1,829 3,832 1,859 3,864 1,868 27,876 9,878 1,880 1,883 1,893 3.5,896 1,898 1,901 13.25,902 10.333,903 5.847,904 3.847,907 1.965,908 1.265,909 0.962,910 5.425,911 9.389,912 3.638,913 4.159,914 4.625,915 5.081,916 5.545,917 5.57,918 5.755,919 5.825,920 5.659,921 5.817,922 1,923 39,924 10.079,926 4.297,927 0.026,929 7.469,931 20.18,933 17.392,936 1.969,937 53.167,940 1,941 353.133,942 127.722,945 36.145,948 127.722,949 389.278,951 8.396,952 23.582,953 75.81,954 30.278,955 25.8,957 353.133,959 353.133,960 127.722,961 36.145,964 282.506,965 106.771,968 23.582,969 104.14,972 353.133,973 36.145,974 127.722,977 353.133,978 43.516,979 84.206,981 36.145,982 353.133,983 36.145,984 127.722,986 0.584,987 0.333,988 0.17,989 0.093,990 21,991 8,992 0.1,993 6,994 1,995 1.095,996 4.077,997 223.165,998 0.095,999 21,1000 120.382,1005 18.404,1006 7.959,1007 4.482,1009 36.145,1010 16.742,1015 4.427,1018 517,1019 37,1024 12.611,1028 0.289,1031 56.069,1032 63.938,1034 0.22,1035 0.528,1036 0.774,1037 0.863,1038 0.871,1039 0.871,1040 4.89,1041 1.435,1042 5.814,1043 3.788,1044 4.443,1045 4.844,1046 2.105,1047 6.624,1048 4.394,1049 6.07,1050 1.059,1051 7.376,1052 3.073,1053 4.111,1054 4.575,1055 0.931,1056 7.769,1057 3.998,1058 7.369,1059 1,1060 9.047,1061 2.387,1062 6.089,1063 6.906,1064 2.326,1065 10.738,1066 5.97,1067 8.701,1068 1,1069 10.787,1070 2.372,1071 6.594,1072 7.418,1073 1.381,1074 12.724,1075 6.387,1076 10.066,1077 0.639,1078 12.573,1079 2.136,1080 8.05,1081 9.257,1082 2.683,1083 15.288,1084 7.829,1085 11.45,1086 0.375,1087 14.391,1088 1.483,1089 8.918,1090 10.127,1091 1.783,1092 17.576,1093 8.6,1094 12.85,1095 0.042,1096 16.231,1097 0.925,1098 10.181,1099 11.752,1100 3.1,1101 20.047,1102 9.832,1103 3.303,1104 -0.284,1105 18.089,1106 0.107,1107 11.212,1108 12.816,1109 2.192,1110 22.446,1111 10.769,1112 2.988,1113 11.915,1114 19.96,1115 -0.683,1116 12.407,1117 14.329,1118 3.547,1119 24.904,1120 11.913,1121 2.619,1122 9.438,1123 21.842,1124 3.981,1125 13.513,1126 15.507,1127 2.615,1128 27.346,1129 12.929,1130 2.452,1131 8.169,1132 23.732,1133 3.531,1134 14.686,1135 16.958,1136 4.009,1137 29.807,1138 14.039,1139 2.319,1140 6.964,1141 25.63,1142 3.247,1143 15.828,1144 18.208,1145 3.05,1146 32.266,1147 15.094,1148 1.535,1149 6.673,1150 27.535,1151 3.159,1152 16.999,1153 19.623,1154 4.481,1155 34.733,1156 16.191,1157 1.502,1158 4.288,1159 29.444,1160 2.403,1161 18.159,1162 20.919,1163 3.495,1164 37.201,1165 17.266,1166 9843,1167 13885,1168 20.455,1169 36.955,1170 44.923,1171 45.898,1172 45.352,1173 44.591,1174 44.537,1175 54.278,1176 7.285,1177 127.435,1178 43.517,1179 5.342,1180 5.679,1181 6.8,1182 5.255,1183 5.303,1184 6.981,1185 2.555,1186 18.337,1187 5.035,1188 9.244,1189 1.497,1190 1.53,1191 1.512,1192 1.486,1193 1.485,1194 1.809,1195 0.243,1196 4.248,1197 1.451,1198 4.044,1199 4.091,1200 3.969,1201 3.945,1202 7.427,1203 3.946,1204 3.974,1205 4.002,1206 3.9,1207 3.879,1208 4.859,1209 3.877,1210 3.837,1211 3.879,1212 3.736,1213 3.743,1214 4.756,1215 3.735,1216 3.614,1217 3.664,1218 3.509,1219 3.444,1220 4.369,1221 3.451,1222 3.411,1223 3.468,1224 3.273,1225 3.248,1226 4.239,1227 3.245,1228 3.211,1229 3.281,1230 3.046,1231 3.054,1232 3.965,1233 3.041,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.715,1239 2.91,1240 2.971,1241 3.055,1242 2.8,1243 2.828,1244 3.674,1245 2.812,1246 0.145,1247 0.123,1248 0.233,1249 0.141,1250 0.11,1251 4.342,1252 0.133,1253 3.679,1254 0.043,1255 6.998,1256 0.397,1257 4.22,1258 0.101,1259 3.303,1260 3.981,1261 1.277,1262 11.915,1263 3.035,1264 1.975,1265 1.931,1266 2.147,1267 2.14,1268 1.543,1269 2.147,1270 1.914,1271 1.894,1272 2.028,1273 1.997,1274 1.242,1275 2.006,1276 1.841,1277 1.798,1278 1.988,1279 1.943,1280 1.18,1281 1.961,1282 1.554,1283 1.493,1284 1.794,1285 1.745,1286 1.044,1287 1.766,1288 1.415,1289 1.358,1290 1.685,1291 1.643,1292 0.905,1293 1.657,1294 1.273,1295 1.218,1296 1.56,1297 1.492,1298 0.825,1299 1.513,1300 1.153,1301 1.064,1302 1.513,1303 1.376,1304 0.778,1305 1.429,1306 1.006,1307 0.932,1308 1.362,1309 1.222,1310 0.504,1311 1.276,1312 4.111,1314 5.434,1315 2.398,1316 6.946,1317 4.595,1318 8.539,1319 6.581,1320 10.172,1322 2.376,1328 9.372,1330 5.537,1332 0.689,1335 1.124,1340 34.09,1341 73.229,1342 175.612,1343 257.455,1344 286.965,1345 289.72,1346 289.72,1347 44.251,1348 7.424,1349 26.3,1350 26.3,1351 23,1352 12.418,1353 3.807,1354 3,1355 40.592,1356 122,1357 106,1358 0.16,1359 207.172,1360 363.94,1361 497.259,1362 18636,1364 18.692,1365 0.692,1366 0.607,1367 18.692,1368 16.377,1369 13.112,1370 0.437,1371 0.348,1372 10.342,1373 12.778,1374 10.086,1375 8.345,1376 13.112,1377 10.442,1378 12.041,1379 0.287,1380 0.21,1381 12.041,1382 8.799,1383 9.984,1384 0.188,1385 0.124,1386 9.984,1387 6.577,1388 7.945,1389 0.12,1390 0.072,1391 7.945,1392 4.768,1393 6.418,1394 0.079,1395 0.045,1396 6.418,1397 3.646,1398 0.26,1399 80.937,1400 0.221,1401 26.606,1402 0.415,1403 144,1404 311.804,1405 152.089,1406 303.298,1407 418.26,1408 286,1409 167,1410 306.063,1411 176.478,1412 312.437,1413 453.87,1414 295,1415 7.18}
{0 CHEMBL86863,1 1.386,2 12.464,3 4.309,4 18.569,5 110.951,6 7.449,7 0.581,8 4.004,9 4.102,10 3.584,11 3.598,12 5.12,13 3.574,14 4.519,15 4.669,16 3.911,17 3.978,18 5.563,19 3.94,20 4.698,21 4.852,22 3.988,23 4.11,24 5.777,25 4.042,26 4.817,27 5.021,28 3.877,29 4.079,30 5.821,31 3.982,32 4.776,33 4.985,34 3.843,35 4.014,36 5.819,37 3.927,38 4.697,39 4.906,40 3.715,41 3.974,42 5.749,43 3.856,44 4.654,45 4.908,46 3.487,47 3.81,48 5.592,49 3.67,50 4.341,51 4.562,52 3.349,53 3.585,54 5.299,55 3.473,56 0.009,57 0.627,58 9.77,59 4.781,60 7.115,61 5.941,62 0.182,63 1.041,64 18.609,65 7.761,66 17.657,67 9.616,68 0.199,69 1.235,70 21.975,71 9.746,72 23.815,73 12.454,74 0.208,75 1.369,76 27.035,77 11.067,78 38.502,79 14.389,80 0.386,81 1.296,82 26.795,83 10.419,84 45.536,85 13.382,86 0.261,87 1.213,88 23.926,89 10.074,90 43.086,91 13.37,92 0.299,93 1.163,94 24.704,95 9.516,96 43.022,97 12.899,98 0.115,99 0.844,100 17.004,101 7.039,102 27.02,103 9.351,104 14,105 43,106 0.231,107 0.551,108 0.718,109 0.8,110 0.816,111 0.822,112 3.374,113 0.901,114 -4.45,115 -4.38,116 -4.12,121 48,123 1,126 2,127 1,137 1,138 1,144 9,145 4,146 2,147 2,159 1,176 15,180 4,187 17,189 3,191 1,192 8,200 12,203 3,206 5,214 8,216 3,218 1,219 5,227 11,229 2,231 1,232 2,239 11,241 1,244 2,246 1,251 7,253 2,256 4,264 6,266 2,269 1,277 7,281 1222,282 19.342,283 19.342,284 19.342,285 19.342,286 19.342,287 16.907,288 22.893,289 11.379,290 19.77,291 15.198,292 15.198,293 15.198,294 15.198,295 15.198,296 11.362,297 32.691,298 5.286,299 15.672,300 4.258,301 2.335,302 1.336,303 0.845,304 0.75,305 0.71,306 4.073,311 1,312 1,313 759,314 2.915,317 64.284,318 273.802,321 122.054,325 2.036,326 20.176,328 1,329 1,330 1,331 1,332 0.6,333 0.5,334 1,335 1,336 0.87,337 59.5,338 349,339 4.566,340 3.712,341 6.724,342 4.227,343 3.222,344 4.215,345 0.86,346 10.926,347 3.24,348 4.15,349 3.172,350 6.107,351 3.734,352 2.772,353 3.74,354 0.86,355 8.884,356 2.669,357 4.032,358 2.916,359 5.642,360 3.649,361 2.69,362 3.512,363 0.68,364 7.815,365 2.579,366 3.854,367 2.619,368 5.522,369 3.45,370 2.457,371 3.381,372 0.522,373 7.28,374 2.432,375 3.542,376 2.531,377 5.236,378 3.084,379 2.124,380 2.892,382 6.315,383 2.031,384 3.289,385 2.216,386 4.977,387 2.904,388 1.909,389 2.527,391 5.772,392 1.89,393 3.13,394 2.187,395 4.845,396 2.74,397 1.768,398 2.313,400 5.339,401 1.718,402 2.862,403 1.902,404 4.248,405 2.411,406 1.418,407 2.017,409 3.522,410 1.407,411 2.656,412 1.491,413 3.593,414 2.273,415 1.334,416 1.593,418 3.037,419 1.234,420 2.5,421 1.268,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1.012,431 3.277,432 1.984,433 1,434 1.5,436 2.136,437 0.983,438 1.982,439 1,440 3.247,441 1.555,442 0.591,443 0.773,445 1.256,446 0.559,447 1.533,448 1,449 2.972,450 1.263,451 0.376,452 0.412,454 0.663,455 0.322,456 1.461,457 0.531,458 2.793,459 1.195,460 0.259,461 0.306,463 0.477,464 0.246,465 1.239,466 0.364,467 2.693,468 0.879,469 -0.101,470 -0.131,472 -0.239,473 -0.098,474 13.4,475 0.479,476 0.585,477 0.021,478 38.5,479 1.375,480 21,481 0.75,482 17.5,483 0.625,484 20.283,485 0.724,486 28.9,487 0.578,488 28.801,489 1.029,490 8.018,491 0.286,492 5.655,493 0.202,494 0.1,496 0.328,501 0.754,502 1.168,503 0.76,504 1.044,505 0.596,506 0.926,507 1.24,508 0.857,509 0.908,510 0.794,511 0.777,512 0.795,513 0.813,514 1.188,515 1.011,516 1.171,517 0.854,518 1.126,519 1.05,520 1.105,521 1.04,522 1.092,523 1.293,524 1.069,525 1.21,526 0.907,527 1.013,528 0.907,529 1.033,530 0.927,531 0.748,532 1.096,533 1.039,534 1.116,535 1.045,536 1.12,537 0.923,538 0.894,539 0.991,540 0.901,541 1.402,542 0.947,543 0.872,544 1.098,545 0.973,546 1.083,547 1.207,548 1.052,549 5.5,550 0.172,551 2.667,552 2.076,553 1.578,554 0.997,555 0.579,556 0.298,557 0.246,558 0.117,559 10824,560 26545,561 2.115,562 44,563 2,564 18,566 2,572 1.705,573 2,574 3.592,575 -0.848,577 1,582 69.291,583 1.386,584 3.308,585 4.308,586 4.799,587 4.894,588 4.934,589 3.101,590 4.45,591 4.776,592 3.771,593 1425.27,594 8.278,595 19311.7,597 1,599 1,600 282.193,601 1.333,602 4.748,603 0.177,604 0.008,605 0.062,606 0.047,607 0.042,608 0.027,609 0.018,610 0.012,611 0.011,612 0.005,613 0.41,614 0.33,615 1,616 0.789,617 142.641,618 0.006,619 -0.124,620 0.066,621 -0.058,622 -0.025,623 -0.001,624 -0.158,625 0.189,626 0.014,627 0.172,628 -0.061,629 0.129,630 0.081,631 -0.181,632 -0.108,633 -0.191,634 0.027,635 -0.178,636 -0.063,637 -0.124,638 -0.068,639 -0.114,640 -0.095,641 -0.095,642 -0.012,643 0.074,644 -0.006,645 0.065,646 0.044,647 0.037,648 0.086,649 -0.127,650 -0.083,651 -0.127,652 0.093,653 -0.129,654 -0.007,655 0.079,656 0.028,657 0.078,658 -0.079,659 0.059,660 -0.009,661 -0.136,662 0.003,663 -0.095,664 -0.091,665 -0.054,666 1.614,667 5.807,668 0.75,669 30.378,670 0.997,671 1.11,672 3.216,673 10.346,674 0.687,675 3.466,676 3.784,677 4.078,678 4.344,679 4.585,680 4.644,681 4.804,682 4.92,683 4.927,684 4.984,685 7.272,686 0.654,687 372.47,688 3.466,689 5.004,690 5.861,691 6.739,692 7.614,693 8.5,694 9.383,695 10.273,696 11.162,697 12.056,698 2,708 1,715 11,720 6,721 1,722 18,727 1,739 2,741 50,743 20,744 2,745 31,747 53,748 24,749 17,750 5,751 7,752 3,756 4,757 5,767 1,770 1,772 20,773 4,777 2,782 1,784 1,786 2,790 1,793 22,794 3,796 4,802 1,803 1,808 0.75,809 3,822 1,828 1,829 3,832 1,849 1,850 1,859 3,864 2,868 28,876 2,878 2,893 6,896 1,898 2,901 14,902 9.75,903 6.278,904 2.875,907 3.95,908 1.511,909 0.999,910 5.267,911 11.684,912 3.761,913 4.363,914 4.958,915 5.513,916 6.081,917 6.306,918 6.71,919 7.109,920 7.438,921 7.819,922 1,923 44,924 10.34,926 4.356,927 0.026,929 7.655,931 19.883,933 16.229,936 2.155,937 60.333,939 1,940 1,941 258.964,942 170.812,943 1.899,945 47.145,948 170.812,949 306.109,950 1.899,951 21.766,952 4.64,953 94.762,954 55.72,955 66.509,957 235.422,959 258.964,960 172.711,961 47.145,964 258.964,965 47.145,968 22.735,969 138.601,970 11.375,972 258.964,973 49.044,974 170.812,977 258.964,978 36.188,979 136.523,981 47.145,982 258.964,983 49.044,984 170.812,986 0.574,987 0.347,988 0.19,989 0.106,990 21,991 9,992 0.094,993 5,994 1,995 1.095,996 4.066,997 240.338,998 0.095,999 21,1000 126.606,1005 18.454,1006 7.992,1007 3.881,1009 47.145,1010 22.147,1015 5.166,1016 2.123,1018 478.82,1019 42,1024 12.807,1026 1.966,1028 0.836,1031 49.862,1032 55.486,1034 0.246,1035 0.586,1036 0.763,1037 0.85,1038 0.867,1039 0.874,1040 4.987,1041 1.418,1042 5.838,1043 5.339,1044 4.466,1045 5.05,1046 1.691,1047 6.645,1048 4.419,1049 6.196,1050 1.334,1051 7.392,1052 3.522,1053 4.007,1054 4.783,1056 7.513,1057 3.955,1058 7.503,1059 1,1060 9.043,1061 3.037,1062 6.057,1063 7.234,1064 1.325,1065 10.615,1066 5.982,1067 8.846,1068 1,1069 10.752,1070 2.275,1071 6.431,1072 7.763,1074 12.316,1075 6.358,1076 10.219,1077 0.591,1078 12.498,1079 2.136,1080 7.928,1081 9.673,1082 1.05,1083 14.934,1084 7.843,1085 11.613,1086 0.376,1087 14.269,1088 1.256,1089 8.698,1090 10.591,1092 17.006,1093 8.622,1094 13.025,1095 0.259,1096 16.061,1097 0.663,1098 9.972,1099 12.257,1100 0.833,1101 19.46,1102 9.893,1103 3.222,1104 -0.101,1105 17.867,1106 0.477,1107 10.937,1108 13.387,1110 21.702,1111 10.871,1112 2.772,1113 10.926,1114 19.687,1115 -0.239,1116 12.123,1117 14.93,1118 0.658,1119 24.103,1120 12.061,1121 2.69,1122 8.884,1123 21.518,1124 4.215,1125 13.182,1126 16.183,1128 26.422,1129 13.136,1130 2.457,1131 7.815,1132 23.358,1133 3.74,1134 14.337,1135 17.662,1136 0.516,1137 28.808,1138 14.3,1139 2.124,1140 7.28,1141 25.206,1142 3.512,1143 15.444,1144 18.987,1146 31.163,1147 15.422,1148 1.909,1149 6.315,1150 27.062,1151 3.381,1152 16.592,1153 20.436,1154 0.401,1155 33.546,1156 16.581,1157 1.768,1158 5.772,1159 28.923,1160 2.892,1161 17.723,1162 21.803,1164 35.918,1165 17.727,1166 10236,1167 16154,1168 20.978,1169 34.364,1170 46.179,1171 47.831,1172 47.516,1173 45.747,1174 45.84,1175 61.36,1176 5.843,1177 131.39,1178 44.618,1179 5.39,1180 5.712,1181 6.526,1182 5.262,1183 5.222,1184 7.215,1185 1.72,1186 18.021,1187 5.24,1188 12.089,1189 1.49,1190 1.543,1191 1.533,1192 1.476,1193 1.479,1194 1.979,1195 0.188,1196 4.238,1197 1.439,1198 4.076,1199 4.099,1200 4.033,1201 4.002,1202 7.427,1203 4.007,1204 3.965,1205 3.994,1206 3.908,1207 3.878,1208 4.923,1209 3.879,1210 3.828,1211 3.861,1212 3.76,1213 3.755,1214 4.826,1215 3.753,1216 3.55,1217 3.57,1218 3.49,1219 3.397,1220 4.702,1221 3.414,1222 3.25,1223 3.315,1224 3.107,1225 3.059,1226 4.495,1227 3.061,1228 3.229,1229 3.291,1230 3.062,1231 2.963,1232 4.349,1233 2.973,1234 3.071,1235 3.144,1236 2.89,1237 2.881,1238 4.033,1239 2.871,1240 2.953,1241 2.996,1242 2.812,1243 2.777,1244 3.734,1245 2.771,1246 0.147,1247 0.12,1248 0.217,1249 0.136,1250 0.104,1251 4.566,1252 0.136,1253 3.712,1254 0.028,1255 6.724,1256 0.352,1257 4.227,1258 0.105,1259 3.222,1260 4.215,1261 0.86,1262 10.926,1263 3.24,1264 1.97,1265 1.935,1266 2.085,1267 2.096,1268 1.226,1269 2.095,1270 1.881,1271 1.872,1272 1.975,1273 1.978,1274 1.159,1275 1.969,1276 1.852,1277 1.824,1278 1.952,1279 1.935,1280 1.055,1281 1.95,1282 1.549,1283 1.517,1284 1.692,1285 1.693,1286 0.862,1287 1.693,1288 1.233,1289 1.185,1290 1.574,1291 1.521,1292 0.618,1293 1.538,1294 1.193,1295 1.123,1296 1.564,1297 1.52,1298 0.575,1299 1.532,1300 1.156,1301 1.091,1302 1.414,1303 1.336,1304 0.568,1305 1.364,1306 0.886,1307 0.821,1308 1.181,1309 1.074,1310 0.256,1311 1.107,1312 4.143,1314 5.46,1315 2.398,1316 6.976,1317 4.844,1318 8.58,1319 7.018,1320 10.229,1322 3.182,1328 1.426,1330 10.68,1340 32.697,1341 69.291,1342 165.425,1343 215.399,1344 239.928,1345 244.683,1346 246.683,1347 42.91,1348 7.735,1349 39.41,1350 39.41,1351 23,1352 12.583,1353 4.392,1354 3.585,1355 42.739,1356 123,1357 122,1358 0.17,1359 199.458,1360 351.27,1361 478.439,1362 25383,1364 19.51,1365 0.697,1366 0.574,1367 19.51,1368 16.067,1369 13.673,1370 0.441,1371 0.3,1372 9.179,1373 13.201,1374 8.889,1375 7.421,1376 13.673,1377 9.307,1378 11.949,1379 0.278,1380 0.161,1381 11.949,1382 6.944,1383 10.52,1384 0.181,1385 0.088,1386 10.52,1387 5.098,1388 8.695,1389 0.114,1390 0.048,1391 8.695,1392 3.618,1393 7.231,1394 0.075,1395 0.026,1396 7.231,1397 2.531,1398 0.273,1399 85.461,1400 0.218,1401 27.153,1402 0.45,1403 148,1404 407.539,1405 157.942,1406 392.598,1407 540.06,1408 370,1409 175,1410 392.981,1411 186.08,1412 405.21,1413 588.42,1414 378,1415 7.921}
{0 CHEMBL87014,1 1.326,2 13.933,3 3.927,4 15.424,5 121.604,6 6.494,7 0.515,8 4.189,9 4.325,10 3.652,11 3.747,12 5.149,13 3.689,14 4.771,15 4.972,16 4.004,17 4.166,18 5.631,19 4.084,20 5.097,21 5.333,22 4.032,23 4.354,24 5.941,25 4.216,26 5.25,27 5.541,28 3.936,29 4.359,30 5.989,31 4.181,32 5.137,33 5.418,34 3.906,35 4.299,36 5.91,37 4.135,38 5.084,39 5.343,40 3.813,41 4.242,42 5.953,43 4.075,44 5.021,45 5.304,46 3.649,47 4.111,48 5.834,49 3.924,50 4.852,51 5.146,52 3.54,53 3.948,54 5.617,55 3.773,56 0.088,57 0.887,58 14.541,59 6.046,60 9.701,61 8.585,62 0.18,63 1.497,64 26.695,65 9.862,66 15.891,67 14.573,68 0.323,69 1.927,70 37.329,71 13.938,72 39.131,73 20.445,74 0.398,75 2.083,76 43.853,77 16.089,78 43.78,79 23.817,80 0.283,81 1.877,82 38.872,83 14.795,84 36.621,85 21.636,86 0.314,87 1.75,88 37.107,89 14.145,90 49.098,91 20.171,92 0.344,93 1.608,94 34.954,95 13.071,96 46.732,97 18.922,98 0.262,99 1.378,100 29.439,101 10.857,102 33.284,103 15.906,104 10,105 46,106 0.213,107 0.503,108 0.702,109 0.789,110 0.819,111 0.824,112 3.44,113 1.02,114 -1.86,115 -1.92,116 -1.93,121 41.9,122 1,123 4,124 1,126 1,127 3,144 11,145 1,146 1,148 1,154 1,159 1,168 1,176 14,180 6,187 15,189 3,191 1,192 8,200 8,203 3,205 1,206 6,214 7,216 3,219 6,227 11,229 2,232 5,239 14,244 4,246 1,251 12,256 1,258 1,264 12,266 1,269 1,271 1,277 10,281 1482,282 20.275,283 20.275,284 20.275,285 20.275,286 20.275,287 18.098,288 21.196,289 12.059,290 20.49,291 16.294,292 16.294,293 16.294,294 16.294,295 16.294,296 13.1,297 21.655,298 5.769,299 16.653,300 4.628,301 2.824,302 1.59,303 1.049,304 0.863,305 0.831,306 4.135,311 1,312 1,313 912,314 3.464,317 95.377,318 341.379,325 2.142,326 17.076,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 62.5,338 418,339 4.471,340 3.679,341 6.998,342 4.22,343 3.303,344 4.172,345 1.277,346 11.915,347 3.035,348 4.326,349 3.616,350 6.531,351 4.068,352 3.102,353 3.531,354 1.26,355 10.274,356 2.997,357 3.96,358 3.136,359 5.941,360 3.633,361 2.631,362 3.429,363 0.245,364 8.27,365 2.625,366 3.807,367 2.605,368 5.35,369 3.453,370 2.455,371 3.16,373 6.969,374 2.449,375 3.545,376 2.384,377 5.251,378 3.317,379 2.328,380 2.887,382 6.677,383 2.296,384 3.36,385 2.316,386 5.061,387 3.086,388 2.088,389 2.386,391 5.766,392 2.08,393 2.908,394 1.68,395 4.09,396 2.472,397 1.479,398 2.067,400 3.435,401 1.467,402 2.871,403 1.567,404 4,405 2.438,406 1.44,407 2.022,409 3.366,410 1.436,411 2.643,412 1.534,413 3.802,414 2.26,415 1.275,416 1.639,418 3.07,419 1.25,420 2.5,421 1.114,422 3.708,423 2,424 1,425 1.5,427 2.372,428 1,429 2.5,430 1.077,431 3.457,432 2,433 1,434 1.5,436 2.256,437 1,438 2.305,439 1,440 3.323,441 1.984,442 1,443 1.212,445 2.136,446 0.983,447 2,448 1,449 3.247,450 1.833,451 0.84,452 1,454 2.136,455 0.834,456 1.785,457 0.858,458 3.247,459 1.59,460 0.567,461 0.65,463 1.344,464 0.576,465 1.216,466 0.388,467 2.995,468 1.032,469 0.042,470 0.046,472 0.107,473 0.041,474 14.533,475 0.484,476 0.735,477 0.025,478 36,479 1.2,480 17.5,481 0.583,482 18.5,483 0.617,484 28.592,485 0.953,486 32.567,487 0.525,488 25.304,489 0.843,490 6.887,491 0.23,492 7.636,493 0.255,494 0.092,495 0.028,496 0.234,501 0.675,502 1.324,503 0.913,504 1.147,505 0.566,506 1.064,507 1.054,508 1.201,509 0.982,510 1.025,511 0.56,512 0.991,513 1.072,514 1.182,515 1.134,516 1.144,517 0.86,518 1.141,519 0.979,520 0.933,521 0.957,522 0.926,523 0.946,524 0.936,525 0.928,526 0.906,527 0.926,528 0.931,529 0.877,530 0.925,531 1.461,532 1.016,533 1.127,534 1.071,535 1.827,536 1.08,537 1.238,538 0.977,539 1.041,540 1.005,541 1.635,542 1.015,543 1.052,544 0.854,545 0.922,546 0.89,547 1.104,548 0.894,549 6.5,550 0.172,551 3.333,552 1.882,553 1.736,554 0.9,555 0.519,556 0.377,557 0.292,558 0.158,559 13874,560 27418,561 2.099,562 51.6,563 3,564 20,568 5,569 4,572 1.722,573 1.989,574 3.754,575 -0.858,577 1,582 82.194,583 1.326,584 3.13,585 4.364,586 4.905,587 5.091,588 5.123,589 3.231,590 4.374,591 4.879,592 3.923,593 1706.5,594 8.472,595 25087,597 1,600 369.16,601 1.403,602 4.843,603 0.197,604 0.007,605 0.072,606 0.043,607 0.045,608 0.023,609 0.015,610 0.013,611 0.011,612 0.007,613 0.433,614 0.5,615 1,616 0.496,617 157.98,618 0.149,619 -0.115,620 0.077,621 -0.048,622 0.02,623 -0.006,624 -0.041,625 -0.056,626 0.022,627 -0.01,628 0.06,629 0.009,630 -0.015,631 -0.129,632 -0.14,633 -0.15,634 0.056,635 -0.154,636 0.029,637 0.024,638 0.029,639 0.03,640 0.009,641 0.03,642 -0.007,643 0.057,644 0.053,645 0.046,646 0.026,647 0.056,648 -0.131,649 -0.06,650 -0.126,651 -0.083,652 -0.14,653 -0.102,654 0.004,655 -0.05,656 -0.046,657 -0.038,658 -0.111,659 -0.047,660 0.03,661 0.089,662 0.068,663 0.063,664 0.004,665 0.069,666 1.5,667 5.773,668 0.767,669 34.187,670 0.983,671 1.125,672 0.635,673 0.403,674 0.653,675 3.526,676 3.85,677 4.078,678 4.304,679 4.511,680 4.477,681 4.511,682 4.615,683 4.635,684 4.654,685 8.037,686 0.604,687 402.61,688 3.526,689 5.069,690 5.905,691 6.779,692 7.633,693 8.51,694 9.371,695 10.25,696 11.115,697 11.995,698 4.8,706 1,708 1,712 1,715 11,716 1,720 4,721 1,722 17,727 1,741 62,743 18,744 2,745 33,747 65,748 26,749 15,750 2,751 10,752 1,756 4,757 4,763 1,767 2,768 1,770 4,772 16,773 10,774 1,777 1,782 1,786 1,790 1,793 32,794 2,796 4,802 3,803 1,807 1,808 1,809 1,820 1,828 1,829 3,859 4,864 2,868 30,876 7,880 1,883 1,893 1.6,896 1,901 15.083,902 11.567,903 6.542,904 4.058,907 2.7,908 1.357,909 0.962,910 6.268,911 10.273,912 3.773,913 4.321,914 4.823,915 5.337,916 5.766,917 5.859,918 6.115,919 6.399,920 6.56,921 6.7,922 1,923 44,924 11.154,926 4.691,927 0.026,929 7.489,931 22.126,933 18.641,936 1.989,937 59.667,940 1,941 376.675,942 154.505,943 18.44,945 25.145,948 154.505,949 401.82,950 18.44,951 17.222,952 16.455,953 104.239,954 46.941,955 10.476,956 2.757,957 376.675,959 376.675,960 172.944,961 25.145,964 329.591,965 72.229,968 29.814,969 126.468,970 16.663,972 376.675,973 43.585,974 154.505,977 376.675,978 33.045,979 123.237,981 41.808,982 376.675,983 43.585,984 154.505,986 0.582,987 0.332,988 0.174,989 0.099,990 22,991 9,992 0.108,993 7,995 1,996 4.3,997 256.799,999 23,1000 135.207,1005 20.716,1006 9.077,1007 5.152,1009 41.808,1010 22.707,1011 4.578,1015 4.003,1016 1.861,1018 574.765,1019 42.5,1024 12.773,1028 0.167,1031 60.945,1032 69.725,1034 0.223,1035 0.526,1036 0.733,1037 0.824,1038 0.855,1039 0.86,1040 5.012,1041 1.44,1042 5.905,1043 3.435,1044 4.533,1045 5.007,1046 1.906,1047 6.72,1048 4.486,1049 6.205,1050 1.275,1051 7.47,1052 3.366,1053 4.205,1054 4.705,1055 0.931,1056 7.856,1057 4.073,1058 7.506,1059 1,1060 9.146,1061 3.07,1062 6.176,1063 7.107,1064 2.213,1065 10.852,1066 6.046,1067 8.84,1068 1,1069 10.89,1070 2.372,1071 6.686,1072 7.619,1073 1.381,1074 12.831,1075 6.449,1076 10.208,1077 1,1078 12.681,1079 2.256,1080 8.142,1081 9.498,1082 2.626,1083 15.414,1084 7.894,1085 11.598,1086 0.84,1087 14.503,1088 2.136,1089 9.016,1090 10.406,1091 1.783,1092 17.694,1093 8.659,1094 13.005,1095 0.567,1096 16.348,1097 2.136,1098 10.282,1099 12.051,1100 3.072,1101 20.172,1102 9.893,1103 3.303,1104 0.042,1105 18.21,1106 1.344,1107 11.32,1108 13.176,1109 2.192,1110 22.562,1111 10.829,1112 3.102,1113 11.915,1114 20.084,1115 0.107,1116 12.518,1117 14.704,1118 3.534,1119 25.018,1120 11.976,1121 2.631,1122 10.274,1123 21.969,1124 4.172,1125 13.63,1126 15.955,1127 2.615,1128 27.45,1129 12.994,1130 2.455,1131 8.27,1132 23.862,1133 3.531,1134 14.806,1135 17.425,1136 4.003,1137 29.905,1138 14.106,1139 2.328,1140 6.969,1141 25.762,1142 3.429,1143 15.952,1144 18.748,1145 3.05,1146 32.355,1147 15.165,1148 2.088,1149 6.677,1150 27.667,1151 3.16,1152 17.124,1153 20.19,1154 4.478,1155 34.815,1156 16.265,1157 1.479,1158 5.766,1159 29.576,1160 2.887,1161 18.286,1162 21.556,1163 3.495,1164 37.274,1165 17.343,1166 13007,1167 18448,1168 22.246,1169 40.512,1170 49.902,1171 50.055,1172 50.365,1173 49.224,1174 49.102,1175 62.403,1176 5.565,1177 140.184,1178 48.134,1179 5.471,1180 5.679,1181 6.8,1182 5.255,1183 5.303,1184 7.172,1185 2.555,1186 18.687,1187 5.035,1188 12.298,1189 1.512,1190 1.517,1191 1.526,1192 1.492,1193 1.488,1194 1.891,1195 0.169,1196 4.248,1197 1.459,1198 4.063,1199 4.114,1200 4.012,1201 3.933,1202 7.427,1203 3.941,1204 3.992,1205 4.046,1206 3.908,1207 3.873,1208 4.95,1209 3.876,1210 3.842,1211 3.882,1212 3.745,1213 3.754,1214 4.757,1215 3.746,1216 3.764,1217 3.8,1218 3.689,1219 3.661,1220 4.635,1221 3.665,1222 3.557,1223 3.624,1224 3.429,1225 3.384,1226 4.368,1227 3.385,1228 3.301,1229 3.362,1230 3.167,1231 3.12,1232 3.973,1233 3.12,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.809,1239 2.91,1240 3.014,1241 3.117,1242 2.809,1243 2.844,1244 3.674,1245 2.826,1246 0.135,1247 0.111,1248 0.212,1249 0.128,1250 0.1,1251 4.471,1252 0.126,1253 3.679,1254 0.039,1255 6.998,1256 0.361,1257 4.22,1258 0.092,1259 3.303,1260 4.172,1261 1.277,1262 11.915,1263 3.035,1264 1.972,1265 1.925,1266 2.146,1267 2.14,1268 1.543,1269 2.146,1270 1.903,1271 1.87,1272 2.02,1273 2.016,1274 1.224,1275 2.017,1276 1.856,1277 1.814,1278 2.016,1279 1.958,1280 1.094,1281 1.979,1282 1.66,1283 1.623,1284 1.841,1285 1.828,1286 1.054,1287 1.832,1288 1.52,1289 1.456,1290 1.755,1291 1.698,1292 0.881,1293 1.72,1294 1.361,1295 1.295,1296 1.598,1297 1.591,1298 0.825,1299 1.59,1300 1.153,1301 1.064,1302 1.513,1303 1.376,1304 0.796,1305 1.429,1306 1.111,1307 1.034,1308 1.372,1309 1.35,1310 0.506,1311 1.365,1312 4.205,1314 5.525,1315 2.398,1316 7.034,1317 4.727,1318 8.621,1319 6.823,1320 10.247,1322 4.372,1328 7.454,1332 0.647,1335 1.106,1340 37.418,1341 82.194,1342 194.059,1343 270.577,1344 304.141,1345 315.65,1346 317.65,1347 50.767,1348 7.573,1349 34.89,1350 34.89,1351 23,1352 12.534,1353 4.248,1354 3.392,1355 47.451,1356 148,1357 132,1358 0.155,1359 230.094,1360 395.57,1361 553.189,1362 22431,1364 20.976,1365 0.699,1366 0.606,1367 20.976,1368 18.181,1369 14.523,1370 0.44,1371 0.34,1372 11.114,1373 14.166,1374 10.784,1375 9.006,1376 14.523,1377 11.216,1378 13.288,1379 0.289,1380 0.202,1381 13.288,1382 9.297,1383 10.889,1384 0.188,1385 0.116,1386 10.889,1387 6.74,1388 8.704,1389 0.119,1390 0.066,1391 8.704,1392 4.833,1393 7.167,1394 0.08,1395 0.041,1396 7.167,1397 3.716,1398 0.253,1399 89.439,1400 0.212,1401 29.076,1402 0.4,1403 158,1404 341.359,1405 167.347,1406 340.865,1407 475.4,1408 320,1409 183,1410 360.479,1411 194.652,1412 368.45,1413 532.43,1414 347,1415 7.659}
{0 CHEMBL87128,1 1.527,2 11.64,3 4.146,4 17.19,5 102.16,6 7.585,7 0.593,8 3.932,9 4.031,10 3.565,11 3.521,12 5.009,13 3.466,14 4.464,15 4.63,16 3.921,17 3.901,18 5.454,19 3.821,20 4.62,21 4.789,22 3.992,23 4.018,24 5.667,25 3.916,26 4.684,27 4.862,28 3.866,29 4.007,30 5.695,31 3.873,32 4.711,33 4.947,34 3.751,35 3.894,36 5.65,37 3.749,38 4.517,39 4.729,40 3.636,41 3.798,42 5.527,43 3.641,44 4.434,45 4.653,46 3.518,47 3.695,48 5.46,49 3.517,50 4.295,51 4.521,52 3.376,53 3.524,54 5.234,55 3.403,56 0.005,57 0.619,58 10.129,59 4.868,60 6.994,61 5.917,62 0.193,63 1.02,64 20.515,65 8.115,66 18.767,67 9.705,68 0.308,69 1.184,70 25.94,71 9.951,72 29.963,73 11.891,74 0.176,75 1.223,76 27.766,77 11.034,78 31.218,79 13.256,80 0.287,81 1.219,82 30.209,83 10.91,84 36.496,85 13.51,86 0.189,87 1.04,88 24.947,89 9.411,90 32.26,91 11.313,92 0.397,93 0.958,94 24.875,95 9.064,96 42.717,97 10.989,98 0.162,99 0.815,100 19.386,101 7.011,102 20.54,103 8.938,104 26,105 37,106 0.261,107 0.585,108 0.753,109 0.809,110 0.816,111 0.824,112 3.266,113 1.025,114 -3.8,115 -3.76,116 -3.58,121 42.6,122 1,123 2,126 2,127 1,144 5,145 2,146 2,147 2,154 2,159 1,176 6,180 3,187 9,189 3,191 1,192 6,200 7,203 1,206 5,214 5,216 1,219 6,227 6,229 1,239 8,243 2,244 2,246 1,251 5,256 2,264 4,266 2,269 3,279 1,281 930,282 17.143,283 17.143,284 17.143,285 17.143,286 17.143,287 15.218,288 17.687,289 9.95,290 17.772,291 13.119,292 13.119,293 13.119,294 13.119,295 13.119,296 9.918,297 14.306,298 4.48,299 13.911,300 4.028,301 2.125,302 1.146,303 0.814,304 0.772,305 0.729,306 3.948,311 1,312 1,313 616,314 3.391,317 57.502,318 161.315,321 108.871,325 1.814,326 19.419,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 53.5,338 291,339 4.565,340 3.615,341 6.437,342 4.067,343 3.12,344 4.502,345 1.277,346 10.099,347 2.95,348 4.09,349 3.241,350 6.068,351 3.719,352 2.753,353 3.639,354 0.86,355 8.762,356 2.671,357 4.026,358 2.796,359 5.709,360 3.596,361 2.639,362 3.57,363 0.86,364 7.503,365 2.53,366 3.701,367 2.71,368 5.476,369 3.302,370 2.335,371 3.047,373 7.277,374 2.231,375 3.465,376 2.396,377 5.106,378 3.107,379 2.151,380 2.752,382 6.257,383 2.04,384 3.178,385 2.215,386 4.717,387 2.698,388 1.771,389 2.471,391 5.118,392 1.628,393 2.701,394 1.653,395 4.114,396 2.249,397 1.287,398 1.711,400 3.485,401 1.216,402 2.5,403 1.427,404 3.943,405 1.984,406 1.136,407 1.5,409 2.841,410 0.983,411 2.399,412 1.138,413 3.414,414 1.983,415 1,416 1.376,418 2.275,419 0.946,420 1.909,421 1.001,422 3.101,423 1.666,424 0.671,425 0.781,427 1.341,428 0.661,429 1.554,430 1,431 2.887,432 1.34,433 0.381,434 0.419,436 0.58,437 0.345,438 1.552,439 0.629,440 2.755,441 1.205,442 0.312,443 0.361,445 0.467,446 0.288,447 1.484,448 0.518,449 2.644,450 1.12,451 0.241,452 0.311,454 0.458,455 0.208,456 0.837,457 0.028,458 2.402,459 0.53,460 -0.474,461 -0.576,463 -0.917,464 -0.472,465 0.769,466 -0.288,467 2.22,468 0.294,469 -0.667,470 -0.869,472 -1.543,473 -0.616,474 12.233,475 0.489,476 0.533,477 0.021,478 31,479 1.24,480 15.5,481 0.62,482 15.5,483 0.62,484 21.051,485 0.842,486 27.067,487 0.576,488 21.394,489 0.856,490 6.09,491 0.244,492 6.049,493 0.242,494 0.15,496 0.319,501 0.768,502 1.226,503 0.761,504 1.027,505 0.597,506 0.978,507 1.224,508 0.822,509 0.844,510 0.736,511 0.752,512 0.751,513 0.95,514 0.969,515 1.041,516 1.033,517 1.06,518 0.971,519 0.978,520 1.251,521 1.173,522 1.308,523 1.261,524 1.244,525 1.05,526 0.935,527 0.953,528 0.972,529 0.857,530 0.937,531 1.01,532 1.044,533 1.181,534 1.124,535 1.604,536 1.06,537 0.504,538 1.055,539 1.291,540 1.236,541 0.925,542 1.086,543 0.952,544 1.016,545 0.933,546 1.003,547 0.891,548 0.929,549 5.5,550 0.134,551 2.889,552 1.417,553 1.592,554 0.876,555 0.481,556 0.334,557 0.184,558 0.116,559 7428,560 18534,561 2.038,562 46.8,563 2,564 13,566 2,568 2,569 3,572 1.675,573 1.899,574 3.505,575 -0.79,577 1,582 71.765,583 1.527,584 3.43,585 4.408,586 4.74,587 4.783,588 4.826,589 2.973,590 4.004,591 4.612,592 3.653,593 1095.95,594 7.953,595 13639.1,597 1,599 1,600 261.066,601 1.44,602 4.569,603 0.204,604 0.008,605 0.078,606 0.037,607 0.05,608 0.031,609 0.019,610 0.015,611 0.009,612 0.006,613 0.458,614 0.33,615 1,616 0.976,617 122.501,618 0.003,619 -0.139,620 0.079,621 -0.033,622 -0.016,623 -0.008,624 -0.142,625 0.24,626 0.128,627 0.257,628 -0.028,629 0.204,630 0.048,631 0.082,632 0.005,633 0.016,634 -0.007,635 0.006,636 -0.047,637 -0.263,638 -0.155,639 -0.264,640 -0.126,641 -0.252,642 -0.035,643 0.017,644 0.063,645 0.018,646 0.064,647 0.049,648 -0.08,649 -0.045,650 -0.071,651 -0.052,652 -0.072,653 -0.06,654 0.357,655 -0.053,656 -0.071,657 -0.095,658 0.239,659 -0.063,660 -0.014,661 -0.058,662 0.041,663 -0.024,664 0.062,665 0.059,666 1.494,667 5.562,668 0.6,669 24.096,670 0.999,671 1.115,672 2.571,673 6.609,674 0.681,675 3.332,676 3.638,677 3.912,678 4.127,679 4.357,680 4.431,681 4.489,682 4.585,683 4.522,684 4.407,685 6.706,686 0.636,687 356.5,688 3.332,689 4.86,690 5.707,691 6.575,692 7.442,693 8.317,694 9.192,695 10.07,696 10.95,697 11.831,698 2.1,708 1,714 2,715 7,719 1,720 4,721 1,722 16,727 1,739 2,741 47,743 17,744 1,745 27,747 49,748 20,749 13,750 4,751 2,752 1,756 3,757 4,763 1,770 2,772 14,773 6,777 1,782 1,786 1,790 1,793 22,794 3,796 5,797 1,802 1,803 1,808 0.667,809 3,822 1,828 1,829 2,832 1,859 2,862 1,864 3,868 25,876 3,878 2,888 1,893 6.4,896 1,898 2,901 13.167,902 9.5,903 5.75,904 2.91,907 2.989,908 1.419,909 0.969,910 5.816,911 10.117,912 3.611,913 4.23,914 4.849,915 5.431,916 5.999,917 6.322,918 6.641,919 6.999,920 6.982,921 6.956,922 0.875,923 38,924 9.245,926 3.808,927 0.026,929 7.66,931 17.835,933 14.289,936 2.16,937 54,940 1,941 258.964,942 158.003,943 1.899,945 47.145,947 31.278,948 126.725,949 306.109,950 1.899,951 30.591,952 7.175,953 47.381,954 55.72,955 56.34,956 2.104,957 266.7,959 258.964,960 128.624,961 47.145,962 31.278,964 223.651,965 82.458,968 34.095,969 92.63,970 1.899,971 31.278,972 258.964,973 49.044,974 158.003,977 258.964,978 61.936,979 97.966,981 47.145,982 258.964,983 49.044,984 158.003,986 0.572,987 0.349,988 0.18,989 0.1,990 17,991 8,992 0.143,993 7,994 1,995 1.133,996 3.741,997 198.031,998 0.133,999 15,1000 112.096,1001 1,1005 18.025,1006 8.066,1007 4.075,1008 2.041,1009 47.145,1010 14.059,1014 1.506,1015 3.331,1016 2.109,1018 466.011,1019 36,1024 12.562,1028 0.173,1031 46.938,1032 52.406,1034 0.275,1035 0.617,1036 0.794,1037 0.853,1038 0.861,1039 0.869,1040 4.828,1041 1.136,1042 5.687,1043 3.485,1044 4.317,1045 4.916,1046 1.977,1047 6.482,1048 4.214,1049 6.043,1050 1,1051 7.241,1052 2.841,1053 3.892,1054 4.796,1056 7.345,1057 3.751,1058 7.358,1059 0.671,1060 8.888,1061 2.275,1062 5.905,1063 7.177,1064 2.142,1065 10.392,1066 5.716,1067 8.712,1068 0.381,1069 10.588,1070 1.341,1071 6.293,1072 7.879,1074 12.04,1075 6.05,1076 10.096,1077 0.312,1078 12.32,1079 0.58,1080 7.757,1081 9.734,1082 2.426,1083 14.599,1084 7.48,1085 11.499,1086 0.241,1087 14.075,1088 0.467,1089 8.514,1090 10.823,1092 16.585,1093 8.172,1094 12.919,1095 -0.474,1096 15.845,1097 0.458,1098 9.76,1099 12.466,1100 2.796,1101 18.973,1102 9.385,1103 3.12,1104 -0.667,1105 17.626,1106 -0.917,1107 10.697,1108 13.754,1110 21.119,1111 10.253,1112 2.753,1113 10.099,1114 19.417,1115 -1.543,1116 11.854,1117 15.307,1118 3.22,1119 23.443,1120 11.373,1121 2.639,1122 8.762,1123 21.216,1124 4.502,1125 12.881,1126 16.699,1128 25.667,1129 12.332,1130 2.335,1131 7.503,1132 23.021,1133 3.639,1134 14.006,1135 18.215,1136 3.675,1137 27.971,1138 13.412,1139 2.151,1140 7.277,1141 24.831,1142 3.57,1143 15.077,1144 19.66,1146 30.233,1147 14.419,1148 1.771,1149 6.257,1150 26.646,1151 3.047,1152 16.193,1153 21.163,1154 4.146,1155 32.531,1156 15.484,1157 1.287,1158 5.118,1159 28.466,1160 2.752,1161 17.288,1162 22.635,1164 34.814,1165 16.516,1166 7301,1167 11705,1168 17.8,1169 32.012,1170 39.584,1171 41.359,1172 41.671,1173 39.517,1174 39.596,1175 52.881,1176 5.995,1177 112.923,1178 37.393,1179 5.438,1180 5.615,1181 5.991,1182 5.184,1183 5.12,1184 7.502,1185 2.555,1186 16.854,1187 4.95,1188 13.11,1189 1.466,1190 1.532,1191 1.543,1192 1.464,1193 1.467,1194 1.959,1195 0.222,1196 4.182,1197 1.385,1198 4.095,1199 4.097,1200 4.339,1201 4.11,1202 7.427,1203 4.061,1204 3.967,1205 4.012,1206 3.903,1207 3.851,1208 4.969,1209 3.856,1210 3.635,1211 3.666,1212 3.629,1213 3.494,1214 4.779,1215 3.497,1216 3.451,1217 3.496,1218 3.398,1219 3.307,1220 4.527,1221 3.291,1222 3.306,1223 3.368,1224 3.163,1225 3.132,1226 4.496,1227 3.117,1228 3.249,1229 3.314,1230 3.076,1231 2.967,1232 4.065,1233 2.97,1234 3.035,1235 3.114,1236 2.902,1237 2.834,1238 3.815,1239 2.815,1240 2.857,1241 2.925,1242 2.804,1243 2.772,1244 3.701,1245 2.724,1246 0.169,1247 0.134,1248 0.238,1249 0.151,1250 0.116,1251 4.565,1252 0.167,1253 3.615,1254 0.047,1255 6.437,1256 0.374,1257 4.067,1258 0.109,1259 3.12,1260 4.502,1261 1.277,1262 10.099,1263 2.95,1264 1.935,1265 1.903,1266 2.069,1267 2.083,1268 1.261,1269 2.082,1270 1.908,1271 1.892,1272 1.963,1273 1.987,1274 1.14,1275 1.983,1276 1.644,1277 1.625,1278 1.83,1279 1.798,1280 1.064,1281 1.814,1282 1.44,1283 1.382,1284 1.661,1285 1.602,1286 0.806,1287 1.635,1288 1.249,1289 1.192,1290 1.577,1291 1.524,1292 0.626,1293 1.541,1294 1.209,1295 1.158,1296 1.568,1297 1.507,1298 0.579,1299 1.53,1300 1.167,1301 1.091,1302 1.37,1303 1.337,1304 0.569,1305 1.392,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.24,1311 1.107,1312 4.007,1314 5.313,1315 2.398,1316 6.817,1317 4.727,1318 8.406,1319 6.843,1320 10.042,1322 5.338,1328 2.218,1330 10.664,1340 29.884,1341 71.765,1342 161.201,1343 207.191,1344 222.801,1345 224.801,1346 226.801,1347 41.884,1348 7.128,1349 39.41,1350 67.65,1351 17,1352 12.367,1353 4.17,1354 3.322,1355 42.057,1356 100,1357 111,1358 0.206,1359 188.396,1360 320.86,1361 451.445,1362 11508,1364 17.811,1365 0.712,1366 0.624,1367 18.165,1368 15.612,1369 12.139,1370 0.45,1371 0.342,1372 8.351,1373 11.198,1374 7.987,1375 6.686,1376 12.547,1377 9.225,1378 10.409,1379 0.281,1380 0.19,1381 11.052,1382 7.033,1383 9.183,1384 0.187,1385 0.112,1386 10.02,1387 5.508,1388 7.126,1389 0.117,1390 0.063,1391 7.998,1392 3.867,1393 5.797,1394 0.075,1395 0.035,1396 6.608,1397 2.706,1398 0.329,1399 80.336,1400 0.237,1401 24.625,1402 0.546,1403 128,1404 370.4,1405 163.565,1406 371.427,1407 506.59,1408 350,1409 150,1410 349.724,1411 184.354,1412 372.431,1413 541.95,1414 348,1415 5.523}
{0 CHEMBL87170,1 1.479,2 14.067,3 5.381,4 28.953,5 122.024,6 7.751,7 0.667,8 4.075,9 4.17,10 3.726,11 3.703,12 5.17,13 3.652,14 4.592,15 4.741,16 4.077,17 4.089,18 5.609,19 4.013,20 4.777,21 4.938,22 4.136,23 4.204,24 5.815,25 4.097,26 4.863,27 5.06,28 4.021,29 4.171,30 5.838,31 4.041,32 4.846,33 5.07,34 3.958,35 4.097,36 5.807,37 3.969,38 4.727,39 4.931,40 3.853,41 4.057,42 5.739,43 3.907,44 4.68,45 4.912,46 3.706,47 3.943,48 5.654,49 3.764,50 4.464,51 4.68,52 3.555,53 3.746,54 5.391,55 3.622,56 0.012,57 0.68,58 10.877,59 5.381,60 7.894,61 6.54,62 0.187,63 1.145,64 21.599,65 9.082,66 19.451,67 10.758,68 0.284,69 1.37,70 28.229,71 11.609,72 31.846,73 13.907,74 0.228,75 1.486,76 32.522,77 12.836,78 35.577,79 15.613,80 0.306,81 1.452,82 32.993,83 12.418,84 38.799,85 15.278,86 0.202,87 1.303,88 28.729,89 11.48,90 37.012,91 13.952,92 0.427,93 1.242,94 30.355,95 11.604,96 48.454,97 14.437,98 0.164,99 0.984,100 21.813,101 8.474,102 22.226,103 10.74,104 14,105 45,106 0.242,107 0.544,108 0.707,109 0.808,110 0.822,111 0.828,112 3.44,113 0.98,114 -4.65,115 -4.57,116 -4.3,121 46.3,123 2,126 2,127 1,144 10,145 3,146 2,147 2,154 2,159 1,176 12,180 3,187 15,189 3,191 1,192 6,200 10,203 3,206 5,214 5,216 3,219 6,227 10,229 2,239 14,243 2,244 2,246 1,251 11,256 2,264 9,266 2,269 3,277 3,279 1,281 1526,282 20.704,283 20.704,284 20.704,285 20.704,286 20.704,287 18.028,288 21.325,289 12.263,290 21.288,291 16.191,292 16.191,293 16.191,294 16.191,295 16.191,296 11.995,297 25.363,298 5.716,299 16.959,300 4.276,301 2.431,302 1.435,303 0.82,304 0.732,305 0.695,306 4.139,311 1,312 1,313 917,314 3.464,317 73.568,318 315.63,321 139.527,325 2.271,326 20.642,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 63.5,338 422,339 4.565,340 3.615,341 6.437,342 4.067,343 3.12,344 4.502,345 1.277,346 10.099,347 2.95,348 4.102,349 3.241,350 6.068,351 3.727,352 2.76,353 3.678,354 0.86,355 8.762,356 2.679,357 4.067,358 2.931,359 5.709,360 3.668,361 2.711,362 3.573,363 0.86,364 7.793,365 2.602,366 3.859,367 2.722,368 5.614,369 3.467,370 2.476,371 3.409,372 0.522,373 7.462,374 2.45,375 3.695,376 2.661,377 5.327,378 3.284,379 2.308,380 3.045,382 6.917,383 2.223,384 3.422,385 2.215,386 4.954,387 3.014,388 2.059,389 2.726,391 5.863,392 1.956,393 3.178,394 2.204,395 4.717,396 2.698,397 1.771,398 2.471,400 5.118,401 1.628,402 2.867,403 1.653,404 4.114,405 2.421,406 1.427,407 2.024,409 3.487,410 1.417,411 2.698,412 1.509,413 3.943,414 2.236,415 1.273,416 1.707,418 3.035,419 1.204,420 2.5,421 1.427,422 3.592,423 2,424 1.136,425 1.5,427 2.841,428 1,429 2.5,430 1.098,431 3.414,432 1.984,433 1,434 1.5,436 2.275,437 0.983,438 2.399,439 1.001,440 3.247,441 1.983,442 1,443 1.376,445 2.136,446 0.946,447 1.849,448 1,449 3.093,450 1.556,451 0.543,452 0.666,454 1.26,455 0.542,456 1.554,457 1,458 2.887,459 1.209,460 0.358,461 0.392,463 0.487,464 0.302,465 1.485,466 0.518,467 2.783,468 1.121,469 0.241,470 0.311,472 0.458,473 0.209,474 14.733,475 0.491,476 0.601,477 0.02,478 40,479 1.333,480 21.5,481 0.717,482 18.5,483 0.617,484 24.225,485 0.807,486 31.167,487 0.577,488 28.834,489 0.961,490 8.026,491 0.268,492 6.631,493 0.221,494 0.09,496 0.299,501 0.756,502 1.123,503 0.743,504 0.961,505 0.594,506 0.913,507 1.231,508 0.855,509 0.883,510 0.784,511 0.782,512 0.808,513 0.893,514 1.125,515 1.073,516 1.134,517 1.057,518 1.084,519 0.999,520 1.173,521 1.117,522 1.188,523 1.19,524 1.13,525 1.108,526 0.926,527 0.969,528 0.943,529 0.861,530 0.917,531 0.973,532 1.056,533 1.183,534 1.126,535 1.523,536 1.1,537 0.462,538 1,539 1.194,540 1.147,541 0.857,542 1.045,543 0.928,544 1.045,545 0.972,546 1.039,547 0.891,548 0.994,549 6,550 0.188,551 2.889,552 1.604,553 1.743,554 0.827,555 0.6,556 0.414,557 0.172,558 0.142,559 13968,560 34995,561 2.107,562 44.4,563 2,564 18,566 2,568 2,572 1.721,573 2,574 3.769,575 -0.825,582 79.874,583 1.479,584 3.324,585 4.32,586 4.935,587 5.023,588 5.06,589 3.248,590 4.04,591 4.877,592 3.955,593 1720.21,594 8.466,595 25507.5,600 310.764,601 1.295,602 4.851,603 0.182,604 0.008,605 0.064,606 0.036,607 0.045,608 0.022,609 0.018,610 0.015,611 0.007,612 0.006,613 0.403,614 0.17,615 1,616 0.756,617 158.474,618 0.008,619 -0.097,620 0.076,621 -0.014,622 -0.014,623 0.008,624 -0.148,625 0.185,626 0.065,627 0.188,628 -0.058,629 0.122,630 0.07,631 -0.113,632 -0.058,633 -0.114,634 -0.032,635 -0.123,636 -0.037,637 -0.18,638 -0.091,639 -0.177,640 -0.089,641 -0.151,642 -0.053,643 0.065,644 0.052,645 0.045,646 0.066,647 0.067,648 -0.086,649 -0.059,650 -0.116,651 -0.085,652 -0.095,653 -0.106,654 0.336,655 -0.015,656 -0.026,657 -0.049,658 0.213,659 -0.012,660 -0.016,661 -0.082,662 -0.006,663 -0.06,664 0.035,666 1.504,667 5.747,668 0.7,669 35.649,670 0.997,671 1.108,672 3.424,673 11.725,674 0.699,675 3.526,676 3.829,677 4.094,678 4.331,679 4.564,680 4.605,681 4.71,682 4.836,683 4.787,684 4.736,685 8.208,686 0.656,687 418.57,688 3.526,689 5.056,690 5.9,691 6.765,692 7.626,693 8.496,694 9.365,695 10.239,696 11.112,697 11.989,698 1.9,708 1,714 2,715 12,719 1,720 5,721 1,722 22,727 1,739 2,741 54,743 23,744 2,745 33,747 57,748 25,749 19,750 5,751 7,752 1,756 4,757 5,770 2,772 20,773 5,777 1,782 1,786 1,793 24,794 3,796 5,797 1,802 1,803 1,808 0.75,809 3,822 1,828 1,829 3,832 1,859 3,862 1,864 2,868 30,876 3,878 2,888 1,893 5.6,896 1,898 2,901 15,902 10.417,903 6.75,904 3.146,907 3.983,908 1.512,909 0.996,910 6.557,911 11.759,912 3.829,913 4.446,914 5.046,915 5.631,916 6.2,917 6.466,918 6.827,919 7.226,920 7.277,921 7.354,922 1,923 45,924 11.086,926 4.627,927 0.026,929 7.622,931 21.438,933 17.44,936 2.122,937 63.667,941 282.506,942 199.745,943 1.899,945 47.145,947 31.278,948 168.467,949 329.651,950 1.899,951 21.766,952 7.175,953 94.762,954 55.72,955 59.526,956 2.104,957 290.242,959 282.506,960 170.366,961 47.145,962 31.278,964 282.506,965 47.145,968 25.27,969 143.197,970 1.899,971 31.278,972 282.506,973 49.044,974 199.745,977 282.506,978 65.121,979 136.523,981 47.145,982 282.506,983 49.044,984 199.745,986 0.572,987 0.34,988 0.181,989 0.102,990 21,991 9,992 0.14,993 8,994 1,995 1.095,996 4.321,997 255.644,998 0.095,999 21,1000 139.207,1001 1,1005 20.704,1006 9.501,1007 4.966,1008 2.028,1009 47.145,1010 24.504,1014 1.504,1015 4.56,1016 2.146,1018 531.295,1019 45,1024 12.747,1028 0.162,1031 53.822,1032 59.821,1034 0.257,1035 0.578,1036 0.751,1037 0.858,1038 0.873,1039 0.879,1040 5.04,1041 1.427,1042 5.866,1043 5.118,1044 4.511,1045 5.133,1046 2.05,1047 6.642,1048 4.426,1049 6.247,1050 1.273,1051 7.402,1052 3.487,1053 4.007,1054 4.902,1056 7.445,1057 3.883,1058 7.549,1059 1.136,1060 9.032,1061 3.035,1062 6.075,1063 7.363,1064 2.159,1065 10.511,1066 5.916,1067 8.889,1068 1,1069 10.717,1070 2.841,1071 6.399,1072 7.967,1074 12.123,1075 6.18,1076 10.258,1077 1,1078 12.437,1079 2.275,1080 7.901,1081 9.878,1082 2.429,1083 14.685,1084 7.66,1085 11.649,1086 0.543,1087 14.18,1088 2.136,1089 8.613,1090 10.894,1092 16.649,1093 8.301,1094 13.057,1095 0.358,1096 15.941,1097 1.26,1098 9.88,1099 12.569,1100 2.797,1101 19.032,1102 9.543,1103 3.12,1104 0.241,1105 17.714,1106 0.487,1107 10.787,1108 13.809,1110 21.164,1111 10.376,1112 2.76,1113 10.099,1114 19.497,1115 0.458,1116 11.953,1117 15.376,1118 3.221,1119 23.483,1120 11.509,1121 2.711,1122 8.762,1123 21.289,1124 4.502,1125 12.96,1126 16.739,1128 25.698,1129 12.444,1130 2.476,1131 7.793,1132 23.088,1133 3.678,1134 14.086,1135 18.26,1136 3.675,1137 27.997,1138 13.528,1139 2.308,1140 7.462,1141 24.892,1142 3.573,1143 15.144,1144 19.688,1146 30.253,1147 14.517,1148 2.059,1149 6.917,1150 26.702,1151 3.409,1152 16.258,1153 21.192,1154 4.146,1155 32.548,1156 15.581,1157 1.771,1158 5.863,1159 28.516,1160 3.045,1161 17.344,1162 22.654,1164 34.827,1165 16.601,1166 13166,1167 21013,1168 22.364,1169 37.773,1170 48.575,1171 50.386,1172 49.977,1173 48.375,1174 48.447,1175 65.86,1176 7.038,1177 136.177,1178 46.256,1179 5.44,1180 5.615,1181 6.239,1182 5.184,1183 5.12,1184 7.502,1185 2.555,1186 16.854,1187 4.95,1188 12.818,1189 1.472,1190 1.527,1191 1.514,1192 1.466,1193 1.468,1194 1.996,1195 0.213,1196 4.127,1197 1.402,1198 4.099,1199 4.105,1200 4.339,1201 4.111,1202 7.427,1203 4.063,1204 4.001,1205 4.037,1206 3.943,1207 3.907,1208 4.97,1209 3.907,1210 3.842,1211 3.876,1212 3.767,1213 3.774,1214 4.821,1215 3.769,1216 3.617,1217 3.639,1218 3.624,1219 3.482,1220 4.69,1221 3.486,1222 3.403,1223 3.443,1224 3.372,1225 3.249,1226 4.527,1227 3.238,1228 3.249,1229 3.314,1230 3.081,1231 3.008,1232 4.496,1233 3.007,1234 3.173,1235 3.229,1236 3.054,1237 2.967,1238 3.965,1239 2.97,1240 2.997,1241 3.075,1242 2.899,1243 2.825,1244 3.775,1245 2.801,1246 0.138,1247 0.11,1248 0.195,1249 0.123,1250 0.095,1251 4.565,1252 0.136,1253 3.615,1254 0.039,1255 6.437,1256 0.306,1257 4.067,1258 0.089,1259 3.12,1260 4.502,1261 1.277,1262 10.099,1263 2.95,1264 1.971,1265 1.934,1266 2.093,1267 2.101,1268 1.27,1269 2.101,1270 1.908,1271 1.903,1272 1.991,1273 1.987,1274 1.153,1275 1.984,1276 1.853,1277 1.823,1278 1.96,1279 1.942,1280 1.139,1281 1.961,1282 1.622,1283 1.61,1284 1.75,1285 1.762,1286 0.921,1287 1.769,1288 1.325,1289 1.278,1290 1.579,1291 1.532,1292 0.683,1293 1.547,1294 1.221,1295 1.175,1296 1.571,1297 1.514,1298 0.583,1299 1.533,1300 1.186,1301 1.11,1302 1.441,1303 1.417,1304 0.576,1305 1.455,1306 1.096,1307 1.037,1308 1.335,1309 1.251,1310 0.543,1311 1.301,1312 4.205,1314 5.509,1315 2.398,1316 7.008,1317 4.727,1318 8.59,1319 6.843,1320 10.215,1322 3.234,1328 2.06,1330 10.72,1340 35.411,1341 79.874,1342 179.506,1343 233.28,1344 266.499,1345 271.254,1346 273.254,1347 47.64,1348 7.775,1349 39.41,1350 67.65,1351 23,1352 12.528,1353 4.585,1354 3.7,1355 47.509,1356 150,1357 142,1358 0.153,1359 220.182,1360 376.18,1361 529.003,1362 28808,1364 20.924,1365 0.697,1366 0.6,1367 21.278,1368 17.999,1369 14.657,1370 0.444,1371 0.327,1372 9.909,1373 13.727,1374 9.533,1375 7.944,1376 15.065,1377 10.782,1378 12.741,1379 0.283,1380 0.185,1381 13.383,1382 8.341,1383 10.997,1384 0.186,1385 0.108,1386 11.834,1387 6.351,1388 8.848,1389 0.118,1390 0.061,1391 9.72,1392 4.581,1393 7.347,1394 0.077,1395 0.034,1396 8.158,1397 3.258,1398 0.25,1399 95.442,1400 0.211,1401 29.144,1402 0.392,1403 156,1404 430.4,1405 191.565,1406 434.748,1407 596.04,1408 410,1409 182,1410 415.724,1411 216.687,1412 442.594,1413 641.91,1414 414,1415 7.004}
{0 CHEMBL87273,1 1.422,2 14.065,3 4.247,4 18.039,5 126.862,6 6.963,7 0.471,8 4.213,9 4.327,10 3.77,11 3.79,12 5.189,13 3.723,14 4.803,15 4.987,16 4.148,17 4.224,18 5.671,19 4.13,20 5.081,21 5.283,22 4.222,23 4.416,24 5.947,25 4.274,26 5.256,27 5.517,28 4.116,29 4.424,30 6.019,31 4.242,32 5.197,33 5.465,34 4.055,35 4.341,36 5.978,37 4.167,38 5.08,39 5.322,40 3.951,41 4.301,42 5.929,43 4.109,44 5.034,45 5.3,46 3.794,47 4.189,48 5.857,49 3.964,50 4.805,51 5.063,52 3.668,53 3.98,54 5.609,55 3.807,56 0.044,57 0.845,58 15.052,59 6.711,60 9.687,61 8.677,62 0.261,63 1.459,64 29.658,65 11.38,66 19.806,67 14.749,68 0.372,69 1.87,70 40.629,71 15.952,72 34.163,73 20.79,74 0.359,75 2.114,76 49.516,77 18.648,78 42.246,79 24.83,80 0.405,81 1.96,82 46.73,83 17.192,84 44.35,85 22.891,86 0.306,87 1.796,88 42.16,89 16.204,90 43.266,91 20.98,92 0.538,93 1.688,94 43.074,95 15.966,96 57.041,97 20.604,98 0.233,99 1.342,100 32.498,101 11.985,102 29.285,103 15.847,104 21,105 48,106 0.228,107 0.524,108 0.734,109 0.804,110 0.816,111 0.821,112 3.471,113 1.062,114 -1.4,115 -1.48,116 -1.53,121 41.3,123 4,124 1,126 3,127 3,144 8,145 2,146 2,154 2,159 1,176 12,180 3,187 15,189 3,191 1,192 6,200 10,203 3,206 5,214 5,216 3,219 6,227 10,229 2,239 14,243 2,244 2,246 1,251 11,256 2,264 9,266 2,269 3,277 3,279 1,281 1622,282 21.049,283 21.049,284 21.049,285 21.049,286 21.049,287 19.097,288 21.51,289 12.255,290 21.664,291 16.653,292 16.653,293 16.653,294 16.653,295 16.653,296 13.535,297 24.407,298 5.678,299 17.49,300 4.555,301 2.711,302 1.405,303 0.969,304 0.893,305 0.861,306 4.166,311 1,312 1,313 944,314 3.808,317 77.027,318 328.439,321 146.167,325 2.2,326 21.619,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 65.5,338 436,339 4.565,340 3.679,341 6.998,342 4.22,343 3.303,344 4.502,345 1.277,346 11.915,347 3.034,348 4.326,349 3.612,350 6.437,351 4.067,352 3.12,353 3.574,354 1.26,355 10.099,356 2.949,357 4.081,358 3.24,359 6.068,360 3.709,361 2.747,362 3.531,363 0.86,364 8.762,365 2.654,366 3.808,367 2.715,368 5.708,369 3.468,370 2.477,371 3.161,372 0.86,373 7.472,374 2.452,375 3.706,376 2.605,377 5.347,378 3.354,379 2.373,380 3.046,381 0.245,382 6.946,383 2.31,384 3.369,385 2.38,386 5.248,387 3.237,388 2.252,389 2.471,391 6.664,392 2.196,393 3.178,394 2.215,395 4.717,396 2.698,397 1.771,398 2.389,400 5.118,401 1.628,402 2.871,403 1.653,404 4.118,405 2.438,406 1.441,407 2.024,409 3.5,410 1.437,411 2.689,412 1.534,413 3.943,414 2.252,415 1.289,416 1.689,418 3.071,419 1.219,420 2.5,421 1.427,422 3.802,423 2,424 1.136,425 1.5,427 2.841,428 1,429 2.399,430 1.113,431 3.708,432 1.984,433 1,434 1.376,436 2.372,437 0.983,438 2,439 1.077,440 3.325,441 1.983,442 1,443 1,445 2.136,446 0.946,447 1.788,448 1.001,449 3.247,450 1.601,451 0.589,452 0.664,454 1.377,455 0.588,456 1.554,457 1,458 3.011,459 1.21,460 0.36,461 0.393,463 0.489,464 0.303,465 1.485,466 0.518,467 2.887,468 1.122,469 0.241,470 0.311,472 0.458,473 0.209,474 15.233,475 0.491,476 0.766,477 0.025,478 35.75,479 1.153,480 16.5,481 0.532,482 19.25,483 0.621,484 31.836,485 1.027,486 34.267,487 0.544,488 25.19,489 0.813,490 6.745,491 0.218,492 8.247,493 0.266,494 0.12,495 0.026,496 0.263,501 0.783,502 1.284,503 0.824,504 1.078,505 0.587,506 1.037,507 1.251,508 0.859,509 0.906,510 0.789,511 0.681,512 0.835,513 0.799,514 1.167,515 1.055,516 1.153,517 0.858,518 1.145,519 0.777,520 1.042,521 0.94,522 1.035,523 0.884,524 1.012,525 0.933,526 0.899,527 0.873,528 0.897,529 0.855,530 0.897,531 0.917,532 1.082,533 1.159,534 1.137,535 1.564,536 1.121,537 0.533,538 1.03,539 1.215,540 1.168,541 1.035,542 1.067,543 0.826,544 1.048,545 1.035,546 1.088,547 0.874,548 0.988,549 7.5,550 0.241,551 3.556,552 2.042,553 2.094,554 0.952,555 0.681,556 0.477,557 0.221,558 0.182,559 14829,560 32797,561 2.077,562 50.8,563 3,564 23,568 2,569 4,572 1.73,573 1.948,574 3.77,575 -0.831,577 1,582 89.602,583 1.422,584 3.266,585 4.572,586 5.009,587 5.084,588 5.116,589 3.244,590 4.156,591 4.926,592 3.952,593 1837.7,594 8.566,595 27660.2,597 1,600 376.569,601 1.501,602 4.881,603 0.221,604 0.01,605 0.074,606 0.043,607 0.05,608 0.024,609 0.019,610 0.016,611 0.008,612 0.007,613 0.472,614 0.33,615 1,616 0.796,617 164.915,618 0.027,619 -0.136,620 0.087,621 -0.027,622 0.023,623 0.003,624 -0.14,625 0.252,626 0.08,627 0.211,628 0.018,629 0.148,630 0.068,631 -0.119,632 -0.062,633 -0.124,634 0.042,635 -0.137,636 0.026,637 -0.071,638 0.027,639 -0.058,640 0.014,641 -0.022,642 -0.004,643 0.059,644 0.085,645 0.057,646 0.037,647 0.079,648 -0.067,649 -0.087,650 -0.114,651 -0.101,652 -0.137,653 -0.119,654 0.248,655 -0.055,656 -0.067,657 -0.083,658 0.103,659 -0.056,660 0.023,661 -0.08,662 -0.001,663 -0.069,664 0.075,665 0.01,666 1.411,667 5.878,668 0.677,669 35.923,670 0.99,671 1.119,672 0.167,673 0.028,674 0.664,675 3.555,676 3.892,677 4.143,678 4.382,679 4.625,680 4.663,681 4.745,682 4.883,683 4.82,684 4.771,685 8.21,686 0.611,687 438.66,688 3.555,689 5.106,690 5.953,691 6.836,692 7.702,693 8.588,694 9.462,695 10.35,696 11.227,697 12.117,698 1.6,712 1,714 2,715 8,719 1,720 4,722 16,727 1,739 2,741 63,743 17,744 2,745 34,747 66,748 26,749 14,750 5,751 7,752 1,756 4,757 5,767 2,768 1,770 4,772 15,773 11,774 1,777 1,782 1,786 1,790 1,793 32,794 3,796 5,797 1,802 1,803 1,807 1,808 0.75,809 3,828 1,829 3,832 1,859 3,862 1,864 3,868 31,876 7,878 2,880 1,883 1,888 1,893 4.8,896 1,898 2,901 15.917,902 12.167,903 6.875,904 3.965,907 2.801,908 1.358,909 0.955,910 6.978,911 10.627,912 3.784,913 4.366,914 4.921,915 5.486,916 6.025,917 6.317,918 6.656,919 7.017,920 6.915,921 6.793,922 1,923 48,924 11.528,926 4.843,927 0.026,929 7.527,931 22.784,933 19.166,936 2.027,937 62.833,940 1,941 376.675,942 177.188,945 47.145,947 31.278,948 145.911,949 423.82,951 30.162,952 16.455,953 75.81,954 30.278,955 38.245,956 2.104,957 407.953,959 376.675,960 145.911,961 47.145,962 31.278,964 329.591,965 94.229,968 16.455,969 129.456,971 31.278,972 376.675,973 47.145,974 177.188,977 376.675,978 71.216,979 105.972,981 47.145,982 376.675,983 47.145,984 177.188,986 0.581,987 0.342,988 0.179,989 0.102,990 23,991 10,992 0.121,993 8,994 1,995 1.095,996 4.325,997 271.076,998 0.095,999 21,1000 145.58,1001 1,1005 22.291,1006 9.705,1007 5.296,1008 2.102,1009 47.145,1010 16.695,1014 1.554,1015 3.655,1018 601.008,1019 43,1024 12.878,1028 0.256,1031 62.356,1032 70.482,1034 0.238,1035 0.546,1036 0.765,1037 0.838,1038 0.851,1039 0.856,1040 5.037,1041 1.441,1042 5.964,1043 5.118,1044 4.575,1045 5.053,1046 2.271,1047 6.797,1048 4.483,1049 6.244,1050 1.289,1051 7.542,1052 3.5,1053 4.29,1054 4.924,1055 0.931,1056 7.936,1057 4.122,1058 7.564,1059 1.136,1060 9.225,1061 3.071,1062 6.24,1063 7.247,1064 2.428,1065 10.927,1066 6.047,1067 8.919,1068 1,1069 10.971,1070 2.841,1071 6.77,1072 7.934,1073 1.381,1074 12.877,1075 6.471,1076 10.304,1077 1,1078 12.759,1079 2.372,1080 8.21,1081 9.763,1082 2.737,1083 15.454,1084 7.888,1085 11.71,1086 0.589,1087 14.575,1088 2.136,1089 9.091,1090 10.84,1091 1.783,1092 17.712,1093 8.655,1094 13.133,1095 0.36,1096 16.412,1097 1.377,1098 10.348,1099 12.473,1100 3.126,1101 20.184,1102 9.873,1103 3.303,1104 0.241,1105 18.264,1106 0.489,1107 11.387,1108 13.754,1109 2.192,1110 22.562,1111 10.802,1112 3.12,1113 11.915,1114 20.129,1115 0.458,1116 12.579,1117 15.302,1118 3.559,1119 25.013,1120 11.938,1121 2.747,1122 10.099,1123 22.005,1124 4.502,1125 13.689,1126 16.691,1127 2.615,1128 27.439,1129 12.947,1130 2.477,1131 8.762,1132 23.888,1133 3.574,1134 14.862,1135 18.206,1136 4.015,1137 29.892,1138 14.051,1139 2.373,1140 7.472,1141 25.779,1142 3.531,1143 16.005,1144 19.65,1145 3.05,1146 32.34,1147 15.099,1148 2.252,1149 6.946,1150 27.676,1151 3.161,1152 17.174,1153 21.153,1154 4.483,1155 34.799,1156 16.192,1157 1.771,1158 6.664,1159 29.579,1160 3.046,1161 18.334,1162 22.626,1163 3.495,1164 37.258,1165 17.262,1166 14042,1167 21122,1168 22.652,1169 41.819,1170 50.699,1171 52.034,1172 52.415,1173 50.25,1174 50.284,1175 63.356,1176 9.005,1177 146.656,1178 47.898,1179 5.565,1180 5.679,1181 6.8,1182 5.337,1183 5.303,1184 7.502,1185 2.555,1186 18.67,1187 5.034,1188 14.996,1189 1.491,1190 1.53,1191 1.542,1192 1.478,1193 1.479,1194 1.863,1195 0.265,1196 4.313,1197 1.409,1198 4.1,1199 4.113,1200 4.339,1201 4.111,1202 7.427,1203 4.062,1204 4.004,1205 4.048,1206 3.917,1207 3.894,1208 4.969,1209 3.891,1210 3.84,1211 3.88,1212 3.74,1213 3.748,1214 4.757,1215 3.74,1216 3.641,1217 3.679,1218 3.626,1219 3.494,1220 4.528,1221 3.498,1222 3.463,1223 3.5,1224 3.42,1225 3.312,1226 4.496,1227 3.301,1228 3.265,1229 3.325,1230 3.148,1231 3.073,1232 4.368,1233 3.07,1234 3.249,1235 3.314,1236 3.075,1237 2.967,1238 3.977,1239 2.97,1240 3.111,1241 3.206,1242 2.9,1243 2.941,1244 3.77,1245 2.91,1246 0.134,1247 0.108,1248 0.206,1249 0.124,1250 0.097,1251 4.565,1252 0.132,1253 3.679,1254 0.038,1255 6.998,1256 0.35,1257 4.22,1258 0.089,1259 3.303,1260 4.502,1261 1.277,1262 11.915,1263 3.034,1264 1.972,1265 1.925,1266 2.146,1267 2.14,1268 1.543,1269 2.146,1270 1.908,1271 1.903,1272 2.016,1273 1.988,1274 1.225,1275 1.985,1276 1.856,1277 1.815,1278 1.963,1279 1.956,1280 1.14,1281 1.977,1282 1.647,1283 1.623,1284 1.821,1285 1.807,1286 1.056,1287 1.82,1288 1.422,1289 1.372,1290 1.613,1291 1.586,1292 0.836,1293 1.606,1294 1.231,1295 1.18,1296 1.575,1297 1.522,1298 0.825,1299 1.538,1300 1.198,1301 1.13,1302 1.561,1303 1.498,1304 0.636,1305 1.525,1306 1.153,1307 1.072,1308 1.513,1309 1.376,1310 0.58,1311 1.429,1312 4.234,1314 5.565,1315 2.398,1316 7.088,1317 4.727,1318 8.694,1319 6.843,1320 10.343,1322 5.64,1328 7.516,1330 10.779,1332 0.653,1335 1.106,1340 38.518,1341 89.602,1342 205.775,1343 288.039,1344 315.549,1345 320.304,1346 322.304,1347 55.697,1348 7.825,1349 35.53,1350 63.77,1351 23,1352 12.648,1353 4.17,1354 3.322,1355 49.88,1356 156,1357 142,1358 0.155,1359 238.556,1360 412.3,1361 573.837,1362 30154,1364 21.847,1365 0.705,1366 0.632,1367 22.2,1368 19.595,1369 14.992,1370 0.441,1371 0.354,1372 11.144,1373 14.032,1374 10.707,1375 8.928,1376 15.401,1377 12.039,1378 13.577,1379 0.283,1380 0.215,1381 14.219,1382 10.318,1383 11.458,1384 0.185,1385 0.129,1386 12.295,1387 8.002,1388 9.153,1389 0.116,1390 0.075,1391 10.026,1392 5.931,1393 7.673,1394 0.076,1395 0.046,1396 8.484,1397 4.6,1398 0.253,1399 97.626,1400 0.21,1401 29.806,1402 0.4,1403 164,1404 404.4,1405 199.926,1406 407.593,1407 557.72,1408 384,1409 192,1410 387.442,1411 227.853,1412 413.948,1413 601.49,1414 386,1415 7.721}
{0 CHEMBL87280,1 1.537,2 16.294,3 5.236,4 27.418,5 133.552,6 7.943,7 0.595,8 4.186,9 4.274,10 3.843,11 3.777,12 5.327,13 3.743,14 4.707,15 4.85,16 4.199,17 4.159,18 5.806,19 4.102,20 4.864,21 5.005,22 4.283,23 4.291,24 5.998,25 4.211,26 5.001,27 5.18,28 4.177,29 4.277,30 6.091,31 4.174,32 4.973,33 5.187,34 4.078,35 4.211,36 5.978,37 4.094,38 4.865,39 5.072,40 3.965,41 4.166,42 5.867,43 4.019,44 4.829,45 5.061,46 3.858,47 4.045,48 5.835,49 3.884,50 4.587,51 4.779,52 3.782,53 3.879,54 5.623,55 3.789,56 0.03,57 0.764,58 11.524,59 6.026,60 8.18,61 6.981,62 0.411,63 1.261,64 24.029,65 10.003,66 35.462,67 11.409,68 0.319,69 1.486,70 29.007,71 12.448,72 36.028,73 14.451,74 0.426,75 1.657,76 36.238,77 14.11,78 63.026,79 16.437,80 0.464,81 1.614,82 36.604,83 13.736,84 51.771,85 16.709,86 0.27,87 1.484,88 32.206,89 13.069,90 44.381,91 16.069,92 0.666,93 1.411,94 35.18,95 12.814,96 65.593,97 15.957,98 0.208,99 1.104,100 23.357,101 9.221,102 27.891,103 11.457,104 36,105 51,106 0.246,107 0.559,108 0.717,109 0.8,110 0.827,111 0.833,112 3.56,113 0.953,114 -4.51,115 -4.43,116 -4.18,121 45,123 2,126 3,127 1,144 9,145 4,146 2,147 2,154 2,159 1,160 1,176 12,179 1,180 5,187 15,189 3,191 1,192 10,200 10,203 3,206 9,214 5,216 3,219 8,227 10,229 2,239 14,243 2,244 2,246 3,251 11,256 2,264 9,266 2,269 7,277 3,279 1,281 2198,282 23.229,283 23.229,284 23.229,285 23.229,286 23.229,287 20.488,288 24.589,289 13.486,290 23.969,291 18.046,292 18.046,293 18.046,294 18.046,295 18.046,296 13.577,297 27.462,298 6.164,299 18.924,300 4.37,301 2.412,302 1.43,303 0.909,304 0.738,305 0.704,306 4.255,312 1,313 1187,314 4.062,317 89.113,318 371.936,321 168.746,325 2.647,326 30.945,329 1,330 0.67,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.83,337 73.5,338 554,339 4.565,340 3.649,341 6.437,342 4.067,343 3.12,344 4.502,345 1.674,346 10.099,347 2.95,348 4.2,349 3.615,350 6.068,351 3.824,352 2.834,353 3.789,354 1.277,355 8.762,356 2.803,357 4.09,358 3.241,359 6.023,360 3.72,361 2.753,362 3.63,363 0.86,364 8.557,365 2.672,366 4.037,367 2.931,368 5.709,369 3.627,370 2.668,371 3.57,372 0.86,373 7.739,374 2.557,375 3.744,376 2.723,377 5.603,378 3.402,379 2.418,380 3.092,381 0.522,382 7.458,383 2.373,384 3.68,385 2.664,386 5.318,387 3.274,388 2.292,389 3.034,391 6.883,392 2.219,393 3.384,394 2.25,395 4.944,396 2.967,397 2.013,398 2.674,400 5.813,401 1.909,402 3.178,403 2.215,404 4.717,405 2.698,406 1.771,407 2.471,409 5.118,410 1.628,411 2.84,412 1.861,413 4.12,414 2.384,415 1.421,416 1.891,418 3.53,419 1.349,420 2.699,421 1.653,422 4.102,423 2.238,424 1.276,425 1.708,427 3.456,428 1.205,429 2.5,430 1.461,431 3.943,432 2,433 1.136,434 1.5,436 2.841,437 1,438 2.5,439 1.427,440 3.414,441 1.984,442 1,443 1.5,445 2.275,446 0.983,447 2.399,448 1.107,449 3.414,450 1.983,451 1,452 1.376,454 2.275,455 0.946,456 1.854,457 1.001,458 3.125,459 1.563,460 0.555,461 0.676,463 1.288,464 0.551,465 1.554,466 1,467 2.887,468 1.215,469 0.361,470 0.394,472 0.501,473 0.304,474 16.4,475 0.482,476 0.759,477 0.022,478 44.25,479 1.301,480 23,481 0.676,482 21.25,483 0.625,484 28.648,485 0.843,486 36.1,487 0.602,488 35.116,489 1.033,490 9.042,491 0.266,492 7.458,493 0.219,494 0.132,496 0.329,501 0.741,502 1.175,503 0.726,504 1.015,505 0.567,506 0.935,507 1.102,508 0.784,509 0.852,510 0.721,511 0.677,512 0.743,513 0.808,514 1.175,515 1.039,516 1.178,517 0.879,518 1.101,519 1.119,520 1.157,521 1.161,522 1.172,523 1.33,524 1.143,525 0.99,526 0.948,527 1.002,528 0.967,529 0.822,530 0.971,531 0.704,532 1.124,533 1.124,534 1.166,535 0.995,536 1.149,537 0.534,538 0.901,539 1.136,540 1.043,541 0.819,542 0.983,543 0.835,544 1.157,545 0.952,546 1.112,547 0.737,548 1.044,549 7.5,550 0.254,551 4,552 1.917,553 2.014,554 1.091,555 0.722,556 0.539,557 0.233,558 0.197,559 19876,560 57428,561 2.059,562 43.3,563 2,564 20,566 2,568 2,572 1.751,573 1.925,574 3.96,575 -0.788,582 92.21,583 1.537,584 3.495,585 4.477,586 4.998,587 5.169,588 5.202,589 3.425,590 4.043,591 5.058,592 4.166,593 2336.87,594 8.819,595 39078.8,600 354.413,601 1.419,602 5.016,603 0.203,604 0.009,605 0.078,606 0.036,607 0.044,608 0.026,609 0.02,610 0.016,611 0.007,612 0.007,613 0.446,614 0.17,615 0.88,616 1.015,617 188.457,618 -0.012,619 -0.122,620 0.071,621 -0.038,622 -0.026,623 -0.005,624 -0.069,625 0.264,626 0.093,627 0.267,628 0.014,629 0.194,630 0.033,631 -0.143,632 -0.057,633 -0.14,634 0.008,635 -0.135,636 -0.12,637 -0.16,638 -0.149,639 -0.162,640 -0.145,641 -0.17,642 -0.082,643 0.042,645 0.023,646 -0.013,647 0.026,648 -0.028,649 -0.127,650 -0.092,651 -0.122,652 -0.061,653 -0.126,654 0.266,655 0.093,656 0.015,657 0.038,658 0.112,659 0.058,660 -0.013,661 -0.173,662 -0.014,663 -0.133,664 0.065,665 -0.052,666 2.006,667 5.812,668 0.618,669 44.917,670 1.006,671 1.111,672 3.279,673 10.751,674 0.691,675 3.638,676 3.951,677 4.22,678 4.431,679 4.663,680 4.736,681 4.844,682 4.956,683 4.913,684 4.898,685 9.417,686 0.656,687 476.61,688 3.638,689 5.176,690 6.023,691 6.891,692 7.754,693 8.625,694 9.495,695 10.368,696 11.241,697 12.117,698 1.7,708 1,714 2,715 11,719 1,720 6,721 1,722 22,727 1,732 1,739 2,741 60,743 24,744 2,745 37,747 63,748 27,749 19,750 6,751 6,752 2,756 4,757 5,770 2,772 21,773 6,777 2,782 2,786 2,793 26,794 5,796 7,797 1,802 1,803 1,808 0.75,809 5,822 1,828 1,829 3,832 1,859 3,862 1,864 3,868 34,876 3,878 3,888 1,893 8.3,896 2,898 3,901 17.667,902 11.917,903 7.694,904 3.403,907 4.176,908 1.515,909 0.976,910 7.834,911 12.283,912 3.932,913 4.546,914 5.147,915 5.711,916 6.281,917 6.582,918 6.933,919 7.305,920 7.38,921 7.519,922 0.909,923 53,924 12.559,926 5.247,927 0.026,929 7.779,931 23.9,933 19.22,936 2.279,937 77.5,941 306.049,942 211.528,943 1.899,945 83.29,947 31.278,948 180.251,949 389.338,950 1.899,951 32.649,952 7.175,953 85.286,954 88.056,955 73.711,956 2.104,957 313.784,959 306.049,960 182.15,961 83.29,962 31.278,964 306.049,965 83.29,968 25.27,969 154.981,970 1.899,971 31.278,972 306.049,973 85.189,974 211.528,977 306.049,978 75.498,979 137.929,981 83.29,982 306.049,983 85.189,984 211.528,986 0.576,987 0.348,988 0.177,989 0.097,990 23,991 11,992 0.159,993 10,994 1,995 1.095,996 4.621,997 299.958,998 0.095,999 21,1000 164.974,1001 1,1005 24.21,1006 11.002,1007 5.782,1008 1.979,1009 83.29,1010 21.197,1014 1.479,1015 4.783,1016 2.061,1018 602.766,1019 50,1024 24.369,1028 -0.213,1031 60.36,1032 66.655,1034 0.26,1035 0.592,1036 0.758,1037 0.846,1038 0.875,1039 0.881,1040 5.156,1041 1.771,1042 6.004,1043 5.813,1044 4.635,1045 5.234,1046 2.593,1047 6.792,1048 4.552,1049 6.37,1050 1.421,1051 7.554,1052 5.118,1053 4.205,1054 5.075,1056 7.636,1057 4.1,1058 7.682,1059 1.276,1060 9.197,1061 3.53,1062 6.221,1063 7.466,1064 3.194,1065 10.679,1066 6.072,1067 9.029,1068 1.136,1069 10.892,1070 3.456,1071 6.594,1072 8.117,1074 12.302,1075 6.408,1076 10.404,1077 1,1078 12.619,1079 2.841,1080 8.061,1081 9.981,1082 4.015,1083 14.849,1084 7.845,1085 11.799,1086 1,1087 14.368,1088 2.275,1089 8.8,1090 11.019,1092 16.809,1093 8.534,1094 13.209,1095 0.555,1096 16.132,1097 2.275,1098 10.046,1099 12.665,1100 4.941,1101 19.179,1102 9.752,1103 3.12,1104 0.361,1105 17.907,1106 1.288,1107 10.964,1108 13.911,1110 21.301,1111 10.614,1112 2.834,1113 10.099,1114 19.691,1115 0.501,1116 12.116,1117 15.46,1118 5.917,1119 23.607,1120 11.733,1121 2.753,1122 8.762,1123 21.483,1124 4.502,1125 13.125,1126 16.82,1128 25.81,1129 12.684,1130 2.668,1131 8.557,1132 23.28,1133 3.789,1134 14.241,1135 18.329,1136 6.918,1137 28.096,1138 13.761,1139 2.418,1140 7.739,1141 25.083,1142 3.63,1143 15.296,1144 19.751,1146 30.341,1147 14.759,1148 2.292,1149 7.458,1150 26.89,1151 3.57,1152 16.4,1153 21.246,1154 7.932,1155 32.626,1156 15.818,1157 2.013,1158 6.883,1159 28.701,1160 3.092,1161 17.481,1162 22.703,1164 34.894,1165 16.841,1166 18994,1167 32425,1168 24.561,1169 41.443,1170 54.505,1171 57.555,1172 57.167,1173 54.199,1174 54.32,1175 72.932,1176 10.387,1177 155.096,1178 51.861,1179 5.441,1180 5.649,1181 5.981,1182 5.184,1183 5.12,1184 7.502,1185 3.349,1186 16.854,1187 4.95,1188 18.538,1189 1.473,1190 1.556,1191 1.545,1192 1.465,1193 1.468,1194 1.971,1195 0.281,1196 4.192,1197 1.402,1198 4.1,1199 4.107,1200 4.34,1201 4.112,1202 7.433,1203 4.063,1204 4.01,1205 4.04,1206 3.958,1207 3.921,1208 7.426,1209 3.922,1210 3.871,1211 3.897,1212 3.812,1213 3.791,1214 4.97,1215 3.791,1216 3.622,1217 3.644,1218 3.626,1219 3.484,1220 4.81,1221 3.488,1222 3.449,1223 3.472,1224 3.408,1225 3.272,1226 4.667,1227 3.274,1228 3.367,1229 3.401,1230 3.305,1231 3.143,1232 4.527,1233 3.162,1234 3.249,1235 3.314,1236 3.078,1237 2.967,1238 4.496,1239 2.97,1240 3.153,1241 3.217,1242 3.013,1243 2.929,1244 4.463,1245 2.937,1246 0.123,1247 0.099,1248 0.174,1249 0.11,1250 0.084,1251 4.565,1252 0.122,1253 3.649,1254 0.045,1255 6.437,1256 0.273,1257 4.067,1258 0.08,1259 3.12,1260 4.502,1261 1.674,1262 10.099,1263 2.95,1264 1.976,1265 1.943,1266 2.09,1267 2.103,1268 1.273,1269 2.102,1270 1.908,1271 1.903,1272 1.987,1273 1.988,1274 1.164,1275 1.984,1276 1.865,1277 1.838,1278 1.96,1279 1.962,1280 1.139,1281 1.968,1282 1.625,1283 1.613,1284 1.75,1285 1.769,1286 0.931,1287 1.773,1288 1.356,1289 1.325,1290 1.598,1291 1.608,1292 0.691,1293 1.597,1294 1.264,1295 1.219,1296 1.579,1297 1.53,1298 0.594,1299 1.545,1300 1.217,1301 1.172,1302 1.57,1303 1.513,1304 0.58,1305 1.532,1306 1.181,1307 1.103,1308 1.433,1309 1.41,1310 0.572,1311 1.448,1312 4.317,1314 5.631,1315 2.398,1316 7.136,1317 4.727,1318 8.723,1319 6.843,1320 10.352,1322 4.582,1328 1.809,1330 15.454,1340 39.367,1341 92.21,1342 209.717,1343 268.6,1344 299.884,1345 310.149,1346 312.149,1347 65.085,1348 8.106,1349 65.71,1350 93.95,1351 23,1352 12.657,1353 4.644,1354 3.807,1355 57.555,1356 196,1357 192,1358 0.141,1359 244.431,1360 425.72,1361 588.173,1362 44554,1364 24.079,1365 0.708,1366 0.595,1367 24.432,1368 20.238,1369 16.499,1370 0.446,1371 0.318,1372 10.83,1373 15.349,1374 10.407,1375 8.678,1376 16.907,1377 11.759,1378 14.403,1379 0.282,1380 0.177,1381 15.045,1382 9.044,1383 12.612,1384 0.188,1385 0.103,1386 13.449,1387 6.883,1388 9.751,1389 0.117,1390 0.059,1391 10.624,1392 4.861,1393 8.003,1394 0.076,1395 0.033,1396 8.814,1397 3.456,1398 0.234,1399 108.19,1400 0.202,1401 32.495,1402 0.356,1403 176,1404 549.871,1405 216.768,1406 539.036,1407 726.67,1408 506,1409 206,1410 499.905,1411 245.338,1412 526.81,1413 764.37,1414 490,1415 5.777}
{0 CHEMBL87295,1 1.503,2 12.385,3 4.67,4 21.807,5 106.684,6 7.411,7 0.571,8 3.987,9 4.09,10 3.598,11 3.572,12 5.043,13 3.513,14 4.527,15 4.699,16 3.947,17 3.953,18 5.492,19 3.867,20 4.699,21 4.881,22 4.02,23 4.068,24 5.709,25 3.958,26 4.761,27 4.957,28 3.91,29 4.057,30 5.738,31 3.924,32 4.762,33 4.991,34 3.808,35 3.973,36 5.705,37 3.827,38 4.632,39 4.856,40 3.677,41 3.889,42 5.607,43 3.72,44 4.527,45 4.763,46 3.553,47 3.758,48 5.504,49 3.573,50 4.335,51 4.552,52 3.42,53 3.587,54 5.266,55 3.464,56 0.013,57 0.659,58 11.112,59 5.23,60 7.652,61 6.464,62 0.199,63 1.086,64 22.156,65 8.729,66 19.251,67 10.667,68 0.318,69 1.276,70 28.421,71 10.808,72 32.012,73 13.248,74 0.229,75 1.327,76 30.586,77 11.626,78 33.648,79 14.309,80 0.282,81 1.287,82 31.147,83 11.449,84 37.306,85 14.324,86 0.205,87 1.159,88 27.766,89 10.51,90 35.544,91 12.972,92 0.42,93 1.04,94 27.116,95 9.841,96 44.377,97 12.189,98 0.158,99 0.852,100 19.776,101 7.28,102 19.819,103 9.356,104 27,105 38,106 0.253,107 0.578,108 0.763,109 0.816,110 0.823,111 0.829,112 3.303,113 1.042,114 -4.02,115 -3.97,116 -3.76,121 42,122 1,123 3,126 2,127 1,144 5,145 2,146 2,147 2,154 2,159 1,176 7,180 3,187 9,189 3,191 1,192 6,200 7,203 2,206 5,214 5,216 1,219 6,227 8,229 1,239 9,243 2,244 2,246 1,251 6,256 2,264 5,266 2,269 3,279 1,281 1042,282 17.85,283 17.85,284 17.85,285 17.85,286 17.85,287 15.925,288 17.687,289 10.555,290 18.443,291 13.657,292 13.657,293 13.657,294 13.657,295 13.657,296 10.479,297 14.306,298 4.775,299 14.44,300 4.141,301 2.215,302 1.117,303 0.805,304 0.765,305 0.725,306 3.986,311 1,312 1,313 680,314 3.536,317 61.136,318 170.435,321 115.784,325 1.953,326 19.974,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 55.5,338 322,339 4.565,340 3.615,341 6.437,342 4.067,343 3.12,344 4.502,345 1.277,346 10.099,347 2.95,348 4.091,349 3.241,350 6.068,351 3.719,352 2.754,353 3.641,354 0.86,355 8.762,356 2.671,357 4.029,358 2.801,359 5.709,360 3.602,361 2.646,362 3.57,363 0.86,364 7.512,365 2.533,366 3.702,367 2.71,368 5.486,369 3.306,370 2.34,371 3.047,373 7.318,374 2.234,375 3.476,376 2.417,377 5.125,378 3.131,379 2.169,380 2.761,382 6.353,383 2.069,384 3.178,385 2.215,386 4.717,387 2.698,388 1.771,389 2.471,391 5.118,392 1.628,393 2.702,394 1.653,395 4.114,396 2.267,397 1.302,398 1.712,400 3.49,401 1.238,402 2.5,403 1.427,404 3.943,405 2.083,406 1.136,407 1.5,409 2.841,410 1.076,411 2.399,412 1.233,413 3.414,414 1.984,415 1.098,416 1.376,418 2.275,419 0.983,420 2.209,421 1.009,422 3.236,423 1.982,424 1,425 1.186,427 1.964,428 0.945,429 1.789,430 1,431 2.958,432 1.515,433 0.501,434 0.604,436 1.074,437 0.5,438 1.554,439 0.988,440 2.887,441 1.208,442 0.355,443 0.39,445 0.483,446 0.3,447 1.485,448 0.518,449 2.735,450 1.121,451 0.241,452 0.311,454 0.458,455 0.209,456 1.081,457 0.253,458 2.403,459 0.818,460 -0.171,461 -0.198,463 -0.308,464 -0.168,465 0.771,466 -0.288,467 2.289,468 0.295,469 -0.66,470 -0.836,472 -1.413,473 -0.615,474 12.733,475 0.49,476 0.533,477 0.021,478 31.5,479 1.212,480 15.5,481 0.596,482 16,483 0.615,484 22.749,485 0.875,486 28.367,487 0.567,488 21.824,489 0.839,490 6.068,491 0.233,492 6.571,493 0.253,494 0.144,496 0.306,501 0.767,502 1.237,503 0.778,504 1.045,505 0.594,506 0.999,507 1.208,508 0.855,509 0.858,510 0.771,511 0.745,512 0.791,513 0.911,514 1.011,515 1.013,516 1.04,517 1.029,518 0.977,519 1.014,520 1.141,521 1.125,522 1.196,523 1.22,524 1.134,525 1.055,526 0.989,527 0.986,528 1.02,529 0.872,530 0.993,531 0.95,532 1.055,533 1.149,534 1.121,535 1.523,536 1.075,537 0.482,538 1.001,539 1.213,540 1.165,541 0.874,542 1.023,543 0.97,544 1.082,545 0.979,546 1.064,547 0.905,548 0.999,549 5.5,550 0.134,551 2.889,552 1.417,553 1.592,554 0.903,555 0.521,556 0.334,557 0.184,558 0.136,559 8393,560 20165,561 2.037,562 48,563 5,564 13,566 2,568 2,569 2,572 1.685,573 1.902,574 3.585,575 -0.798,582 75.16,583 1.503,584 3.429,585 4.526,586 4.839,587 4.879,588 4.919,589 3.094,590 3.902,591 4.668,592 3.738,593 1214.9,594 8.061,595 15727.3,597 1,600 282.193,601 1.42,602 4.628,603 0.196,604 0.007,605 0.076,606 0.036,607 0.047,608 0.03,609 0.02,610 0.015,611 0.008,612 0.007,613 0.443,614 0.33,615 1,616 1.137,617 129.715,618 0.008,619 -0.133,620 0.079,621 -0.032,622 -0.005,623 -0.007,624 -0.129,625 0.21,626 0.118,627 0.229,628 -0.02,629 0.176,630 0.073,631 0.035,632 0.032,633 0.007,634 0.01,635 0.01,636 -0.052,637 -0.132,638 -0.097,639 -0.163,640 -0.095,641 -0.145,642 -0.042,643 -0.024,644 0.018,645 -0.028,646 0.051,647 -0.01,648 -0.062,649 -0.062,650 -0.065,651 -0.064,652 -0.067,653 -0.073,654 0.359,655 -0.008,656 -0.015,657 -0.042,658 0.255,659 -0.001,660 -0.025,661 -0.108,662 -0.013,663 -0.079,664 0.053,665 -0.012,666 1.491,667 5.609,668 0.577,669 26.71,670 0.996,671 1.116,672 2.794,673 7.805,674 0.675,675 3.367,676 3.664,677 3.932,678 4.159,679 4.382,680 4.454,681 4.533,682 4.625,683 4.543,684 4.454,685 7.069,686 0.628,687 370.53,688 3.367,689 4.89,690 5.733,691 6.6,692 7.465,693 8.338,694 9.211,695 10.089,696 10.967,697 11.848,698 2,708 1,714 2,715 7,719 1,720 4,721 1,722 16,727 1,739 2,741 50,743 17,744 1,745 28,747 52,748 21,749 13,750 4,751 2,752 1,756 3,757 4,763 1,770 3,772 14,773 7,777 1,782 1,786 1,790 1,793 24,794 3,796 5,797 1,802 1,803 1,808 0.667,809 3,822 1,828 1,829 2,832 1,859 2,862 1,864 3,868 26,876 4,878 2,888 1,893 6,896 1,898 2,901 13.667,902 10,903 6,904 3.16,907 3.003,908 1.416,909 0.965,910 6.385,911 10.217,912 3.638,913 4.245,914 4.857,915 5.444,916 6.011,917 6.334,918 6.663,919 7.019,920 6.989,921 6.976,922 1,923 39,924 9.625,926 3.953,927 0.026,929 7.635,931 18.652,933 14.956,936 2.135,937 55.5,939 1,940 1,941 282.506,942 160.537,943 1.899,945 47.145,947 31.278,948 129.26,949 329.651,950 1.899,951 30.591,952 9.709,953 47.381,954 55.72,955 56.34,956 2.104,957 290.242,959 282.506,960 131.159,961 47.145,962 31.278,964 258.964,965 70.687,968 36.629,969 92.63,970 1.899,971 31.278,972 282.506,973 49.044,974 160.537,977 282.506,978 64.47,979 97.966,981 47.145,982 282.506,983 49.044,984 160.537,986 0.566,987 0.342,988 0.183,989 0.101,990 17,991 8,992 0.154,993 8,994 1,995 1.133,996 3.851,997 207.26,998 0.133,999 15,1000 118.211,1001 1,1005 18.995,1006 8.739,1007 4.506,1008 2.044,1009 47.145,1010 14.171,1014 1.509,1015 3.342,1016 2.165,1018 492.088,1019 37,1024 12.609,1028 0.175,1031 49.822,1032 55.821,1034 0.266,1035 0.608,1036 0.802,1037 0.857,1038 0.864,1039 0.871,1040 4.852,1041 1.136,1042 5.707,1043 3.49,1044 4.344,1045 4.931,1046 1.977,1047 6.497,1048 4.243,1049 6.059,1050 1.098,1051 7.255,1052 2.841,1053 3.892,1054 4.796,1056 7.345,1057 3.751,1058 7.37,1059 1,1060 8.898,1061 2.275,1062 5.922,1063 7.182,1064 2.142,1065 10.402,1066 5.734,1067 8.72,1068 0.501,1069 10.595,1070 1.964,1071 6.293,1072 7.879,1074 12.045,1075 6.05,1076 10.102,1077 0.355,1078 12.326,1079 1.074,1080 7.768,1081 9.736,1082 2.426,1083 14.606,1084 7.491,1085 11.504,1086 0.241,1087 14.08,1088 0.483,1089 8.517,1090 10.823,1092 16.59,1093 8.174,1094 12.923,1095 -0.171,1096 15.849,1097 0.458,1098 9.768,1099 12.467,1100 2.796,1101 18.978,1102 9.393,1103 3.12,1104 -0.66,1105 17.63,1106 -0.308,1107 10.701,1108 13.755,1110 21.123,1111 10.257,1112 2.754,1113 10.099,1114 19.421,1115 -1.413,1116 11.861,1117 15.307,1118 3.22,1119 23.447,1120 11.379,1121 2.646,1122 8.762,1123 21.219,1124 4.502,1125 12.885,1126 16.699,1128 25.669,1129 12.335,1130 2.34,1131 7.512,1132 23.024,1133 3.641,1134 14.011,1135 18.215,1136 3.675,1137 27.973,1138 13.416,1139 2.169,1140 7.318,1141 24.834,1142 3.57,1143 15.081,1144 19.66,1146 30.234,1147 14.422,1148 1.771,1149 6.353,1150 26.649,1151 3.047,1152 16.197,1153 21.163,1154 4.146,1155 32.533,1156 15.487,1157 1.302,1158 5.118,1159 28.468,1160 2.761,1161 17.292,1162 22.636,1164 34.814,1165 16.519,1166 8262,1167 13015,1168 18.493,1169 33.773,1170 41.001,1171 42.596,1172 43.085,1173 40.756,1174 40.864,1175 54.142,1176 5.995,1177 115.492,1178 38.668,1179 5.439,1180 5.615,1181 6.207,1182 5.184,1183 5.12,1184 7.502,1185 2.555,1186 16.854,1187 4.95,1188 13.55,1189 1.464,1190 1.521,1191 1.539,1192 1.456,1193 1.459,1194 1.934,1195 0.214,1196 4.125,1197 1.381,1198 4.096,1199 4.099,1200 4.339,1201 4.111,1202 7.427,1203 4.061,1204 3.971,1205 4.016,1206 3.907,1207 3.855,1208 4.969,1209 3.859,1210 3.647,1211 3.687,1212 3.63,1213 3.506,1214 4.776,1215 3.507,1216 3.519,1217 3.565,1218 3.425,1219 3.392,1220 4.527,1221 3.372,1222 3.365,1223 3.415,1224 3.267,1225 3.199,1226 4.496,1227 3.185,1228 3.249,1229 3.314,1230 3.077,1231 2.967,1232 4.11,1233 2.97,1234 3.08,1235 3.152,1236 2.921,1237 2.861,1238 3.873,1239 2.858,1240 2.918,1241 3.002,1242 2.879,1243 2.773,1244 3.742,1245 2.728,1246 0.163,1247 0.129,1248 0.23,1249 0.145,1250 0.111,1251 4.565,1252 0.161,1253 3.615,1254 0.046,1255 6.437,1256 0.361,1257 4.067,1258 0.105,1259 3.12,1260 4.502,1261 1.277,1262 10.099,1263 2.95,1264 1.938,1265 1.904,1266 2.074,1267 2.087,1268 1.281,1269 2.087,1270 1.908,1271 1.895,1272 1.964,1273 1.987,1274 1.158,1275 1.983,1276 1.661,1277 1.633,1278 1.887,1279 1.818,1280 1.139,1281 1.843,1282 1.535,1283 1.485,1284 1.716,1285 1.687,1286 0.879,1287 1.713,1288 1.281,1289 1.227,1290 1.578,1291 1.528,1292 0.651,1293 1.544,1294 1.215,1295 1.17,1296 1.57,1297 1.512,1298 0.58,1299 1.532,1300 1.176,1301 1.099,1302 1.396,1303 1.374,1304 0.571,1305 1.421,1306 0.941,1307 0.859,1308 1.296,1309 1.177,1310 0.464,1311 1.227,1312 4.043,1314 5.342,1315 2.398,1316 6.838,1317 4.727,1318 8.424,1319 6.843,1320 10.057,1322 5.398,1328 3.406,1330 10.68,1340 31.411,1341 75.16,1342 171.445,1343 226.319,1344 241.928,1345 243.928,1346 245.928,1347 45.248,1348 7.214,1349 39.41,1350 67.65,1351 17,1352 12.384,1353 4.17,1354 3.322,1355 44.692,1356 110,1357 126,1358 0.199,1359 197.988,1360 338.16,1361 474.85,1362 13010,1364 18.518,1365 0.712,1366 0.628,1367 18.872,1368 16.319,1369 12.639,1370 0.451,1371 0.347,1372 8.851,1373 11.706,1374 8.474,1375 7.114,1376 13.047,1377 9.725,1378 10.79,1379 0.284,1380 0.196,1381 11.432,1382 7.429,1383 9.302,1384 0.186,1385 0.113,1386 10.14,1387 5.639,1388 7.415,1389 0.118,1390 0.065,1391 8.287,1392 4.087,1393 6.016,1394 0.076,1395 0.036,1396 6.827,1397 2.838,1398 0.32,1399 83.336,1400 0.233,1401 25.574,1402 0.522,1403 132,1404 374.4,1405 167.565,1406 375.672,1407 512.39,1408 354,1409 154,1410 353.724,1411 188.52,1412 376.769,1413 548.17,1414 352,1415 5.59}
{0 CHEMBL87320,1 1.472,2 13.179,3 2.533,4 6.415,5 113.293,6 6.777,7 0.333,8 4.162,9 4.278,10 3.689,11 3.668,12 5.122,13 3.607,14 4.775,15 4.971,16 4.052,17 4.097,18 5.615,19 4.007,20 5.014,21 5.218,22 4.141,23 4.31,24 5.872,25 4.17,26 5.213,27 5.474,28 4.042,29 4.336,30 5.976,31 4.15,32 5.19,33 5.48,34 3.943,35 4.195,36 5.945,37 4.02,38 4.932,39 5.163,40 3.816,41 4.114,42 5.813,43 3.93,44 4.933,45 5.208,46 3.682,47 4.033,48 5.757,49 3.805,50 4.716,51 4.974,52 3.58,53 3.836,54 5.53,55 3.674,56 0.026,57 0.815,58 15.15,59 6.424,60 9.079,61 8.32,62 0.355,63 1.351,64 30.29,65 10.558,66 22.326,67 13.802,68 0.454,69 1.704,70 39.285,71 14.545,72 32.791,73 19.121,74 0.338,75 1.899,76 47.695,77 17.169,78 40.426,79 23.111,80 0.583,81 1.72,82 47.655,83 15.253,84 49.642,85 20.689,86 0.342,87 1.467,88 37.531,89 13.37,90 41.584,91 17.187,92 0.557,93 1.418,94 39.739,95 13.586,96 54.206,97 17.665,98 0.265,99 1.146,100 30.277,101 10.168,102 28.506,103 13.653,104 37,105 42,106 0.242,107 0.509,108 0.743,109 0.814,110 0.82,111 0.825,112 3.374,113 1.097,114 -0.01,115 -0.16,116 -0.35,121 36.7,123 4,124 1,126 4,127 4,144 3,145 1,146 2,154 2,159 1,176 6,180 3,187 9,189 2,191 1,192 6,194 1,200 7,203 1,206 5,214 3,216 1,219 8,227 5,229 1,232 1,239 7,243 2,244 3,246 1,251 4,256 3,264 4,266 2,269 2,279 1,281 1272,282 18.903,283 18.903,284 18.903,285 18.903,286 18.903,287 17.701,288 20.734,289 11.04,290 19.724,291 14.609,292 14.609,293 14.609,294 14.609,295 14.609,296 12.518,297 21.388,298 4.997,299 15.66,300 4.435,301 2.811,302 1.384,303 0.95,304 0.917,305 0.884,306 4.053,311 1,312 1,313 775,314 4,317 68.302,318 188.192,321 129.451,325 2.048,326 23.125,329 1,330 1,331 0.83,332 0.9,333 1,334 1,335 1,336 0.96,337 60.5,338 369,339 4.565,340 3.642,341 6.972,342 4.192,343 3.279,344 4.502,345 1.277,346 11.777,347 2.998,348 4.28,349 3.611,350 6.437,351 4.066,352 3.12,353 3.574,354 1.2,355 10.099,356 2.948,357 4.081,358 3.24,359 6.068,360 3.709,361 2.747,362 3.28,363 0.86,364 8.762,365 2.652,366 3.707,367 2.715,368 5.708,369 3.41,370 2.432,371 3.047,372 0.86,373 7.471,374 2.367,375 3.378,376 2.409,377 5.301,378 3.249,379 2.264,380 2.471,381 0.86,382 6.827,383 2.202,384 3.178,385 2.215,386 4.717,387 2.698,388 1.771,389 2.391,391 5.118,392 1.628,393 2.692,394 2.134,395 4.119,396 2.351,397 1.474,398 1.693,400 3.504,401 1.287,402 2.47,403 1.653,404 3.943,405 2.244,406 1.288,407 1.468,409 2.841,410 1.206,411 2.399,412 1.427,413 3.802,414 1.984,415 1.136,416 1.376,418 2.768,419 0.983,420 2,421 1.125,422 3.78,423 1.983,424 1,425 1,427 2.372,428 0.946,429 1.786,430 1.077,431 3.097,432 1.602,433 0.603,434 0.67,436 1.35,437 0.592,438 1.554,439 1.001,440 2.887,441 1.215,442 0.364,443 0.395,445 0.503,446 0.306,447 1.485,448 0.729,449 2.852,450 1.182,451 0.267,452 0.311,454 0.458,455 0.242,456 1.309,457 0.518,458 2.732,459 1.12,460 0.241,461 0.275,463 0.436,464 0.208,465 0.896,466 0.224,467 2.445,468 0.801,469 -0.177,470 -0.184,472 -0.375,473 -0.172,474 13.567,475 0.485,476 0.697,477 0.025,478 28.25,479 1.009,480 10.5,481 0.375,482 17.75,483 0.634,484 30.535,485 1.091,486 32.933,487 0.549,488 19.815,489 0.708,490 5.359,491 0.191,492 8.116,493 0.29,494 0.172,495 0.029,496 0.258,501 0.816,502 1.47,503 0.847,504 1.218,505 0.601,506 1.148,507 1.369,508 0.805,509 0.924,510 0.727,511 0.765,512 0.789,513 0.774,514 1.111,515 1.053,516 1.133,517 0.852,518 1.14,519 0.677,520 1.131,521 0.928,522 1.124,523 0.842,524 1.086,525 1.071,526 0.742,527 0.82,528 0.753,529 0.876,530 0.757,531 1.053,532 1.131,533 1.237,534 1.194,535 1.709,536 1.168,537 0.529,538 1.003,539 1.185,540 1.156,541 1.012,542 1.023,543 0.869,544 1.04,545 1.026,546 1.079,547 0.895,548 0.957,549 7,550 0.204,551 3.556,552 1.729,553 1.863,554 0.959,555 0.582,556 0.425,557 0.233,558 0.176,559 10263,560 23450,561 2.005,562 53.3,563 3,564 23,568 2,569 4,572 1.704,573 1.856,574 3.668,575 -0.778,577 1,582 88.306,583 1.472,584 3.096,585 4.523,586 4.957,587 4.99,588 5.023,589 3.128,590 4.066,591 4.776,592 3.831,593 1448.18,594 8.275,595 19974.8,597 1,600 354.413,601 1.598,602 4.719,603 0.233,604 0.01,605 0.085,606 0.04,607 0.05,608 0.028,609 0.02,610 0.017,611 0.009,612 0.008,613 0.501,614 0.33,615 1,616 1.304,617 143.61,618 0.014,619 -0.219,620 0.091,621 -0.079,622 0.029,623 -0.03,624 -0.192,625 0.323,626 0.088,627 0.293,628 -0.011,629 0.212,630 0.057,631 -0.005,632 -0.051,633 -0.058,634 0.04,635 -0.095,636 0.039,637 -0.154,638 0.016,639 -0.127,640 0.023,641 -0.078,642 -0.046,643 0.166,644 0.139,645 0.158,646 0.041,647 0.184,648 -0.114,649 -0.102,650 -0.152,651 -0.11,652 -0.168,653 -0.149,654 0.216,655 -0.024,656 -0.025,657 -0.048,658 0.126,659 -0.01,660 -0.003,661 -0.061,662 0.017,663 -0.044,664 0.077,665 0.045,666 1.415,667 5.762,668 0.536,669 30.347,670 0.995,671 1.128,672 -1.219,673 1.487,674 0.638,675 3.434,676 3.761,677 4.007,678 4.22,679 4.466,680 4.522,681 4.575,682 4.7,683 4.625,684 4.522,685 7.532,686 0.587,687 406.62,688 3.434,689 4.977,690 5.82,691 6.701,692 7.568,693 8.453,694 9.328,695 10.215,696 11.095,697 11.984,698 1.7,712 1,714 2,715 3,719 1,720 3,722 10,727 1,739 2,741 60,743 11,744 1,745 30,747 62,748 22,749 8,750 4,751 2,752 1,756 3,757 4,767 2,768 1,770 4,772 9,773 13,774 1,777 1,782 1,786 1,790 1,793 32,794 4,796 6,797 1,802 1,803 1,807 1,808 0.667,809 4,828 1,829 2,832 1,858 1,859 2,862 1,864 4,868 28,876 8,878 3,880 1,883 1,888 1,893 6.7,896 1,897 1,898 2,901 15.083,902 11.917,903 6.375,904 3.729,907 2.033,908 1.276,909 0.918,910 7.349,911 9.401,912 3.611,913 4.163,914 4.713,915 5.271,916 5.819,917 6.209,918 6.556,919 6.922,920 6.815,921 6.652,922 0.889,923 43,924 10.419,926 4.29,927 0.026,929 7.577,931 20.532,933 16.919,936 2.077,937 58.167,940 1,941 376.675,942 142.097,945 58.145,947 31.278,948 110.819,949 434.82,951 41.046,952 21.048,953 28.429,954 41.278,955 35.06,956 2.104,957 407.953,959 376.675,960 110.819,961 58.145,962 31.278,964 329.591,965 94.229,966 11,968 21.048,969 89.772,971 31.278,972 376.675,973 58.145,974 142.097,977 376.675,978 72.623,979 69.474,981 58.145,982 376.675,983 58.145,984 142.097,986 0.575,987 0.341,988 0.175,989 0.103,990 19,991 9,992 0.145,993 9,994 1,995 1.133,996 3.978,997 230.115,998 0.133,999 15,1000 130.606,1001 1,1005 21.538,1006 9.553,1007 5.265,1008 2.097,1009 58.145,1010 5.89,1014 1.547,1015 2.234,1018 576.917,1019 36,1024 12.762,1028 0.251,1031 59.683,1032 67.692,1034 0.249,1035 0.524,1036 0.766,1037 0.839,1038 0.845,1039 0.85,1040 4.871,1041 1.288,1042 5.838,1043 3.504,1044 4.443,1045 4.848,1046 2.363,1047 6.681,1048 4.322,1049 6.072,1050 1.136,1051 7.427,1052 2.841,1053 4.205,1054 4.82,1055 0.931,1056 7.877,1057 4.02,1058 7.4,1059 1,1060 9.123,1061 2.768,1062 6.125,1063 7.047,1064 2.465,1065 10.844,1066 5.894,1067 8.764,1068 0.603,1069 10.882,1070 2.372,1071 6.698,1072 7.843,1073 1.241,1074 12.824,1075 6.376,1076 10.16,1077 0.364,1078 12.68,1079 1.35,1080 8.118,1081 9.604,1082 2.716,1083 15.385,1084 7.755,1085 11.577,1086 0.267,1087 14.506,1088 0.503,1089 9.028,1090 10.765,1091 1.521,1092 17.649,1093 8.561,1094 13.01,1095 0.241,1096 16.35,1097 0.458,1098 10.274,1099 12.359,1100 3.058,1101 20.107,1102 9.756,1103 3.279,1104 -0.177,1105 18.208,1106 0.436,1107 11.327,1108 13.696,1109 1.818,1110 22.479,1111 10.708,1112 3.12,1113 11.777,1114 20.078,1115 -0.375,1116 12.513,1117 15.227,1118 3.455,1119 24.917,1120 11.831,1121 2.747,1122 10.099,1123 21.956,1124 4.502,1125 13.627,1126 16.649,1127 2.132,1128 27.333,1129 12.849,1130 2.432,1131 8.762,1132 23.841,1133 3.574,1134 14.795,1135 18.158,1136 3.885,1137 29.773,1138 13.944,1139 2.264,1140 7.471,1141 25.732,1142 3.28,1143 15.937,1144 19.621,1145 2.46,1146 32.208,1147 14.995,1148 1.771,1149 6.827,1150 27.629,1151 3.047,1152 17.102,1153 21.123,1154 4.334,1155 34.653,1156 16.08,1157 1.474,1158 5.118,1159 29.531,1160 2.471,1161 18.257,1162 22.607,1163 2.798,1164 37.099,1165 17.147,1166 10142,1167 15557,1168 19.474,1169 38.273,1170 44.168,1171 45.808,1172 46.562,1173 43.879,1174 43.972,1175 52.903,1176 10.115,1177 128.572,1178 41.132,1179 5.565,1180 5.642,1181 6.813,1182 5.309,1183 5.279,1184 7.502,1185 2.555,1186 18.532,1187 4.998,1188 15.901,1189 1.472,1190 1.527,1191 1.552,1192 1.463,1193 1.466,1194 1.763,1195 0.337,1196 4.286,1197 1.371,1198 4.097,1199 4.103,1200 4.339,1201 4.111,1202 7.427,1203 4.061,1204 3.97,1205 4.03,1206 3.857,1207 3.812,1208 4.968,1209 3.811,1210 3.672,1211 3.716,1212 3.634,1213 3.516,1214 4.643,1215 3.521,1216 3.521,1217 3.55,1218 3.466,1219 3.365,1220 4.528,1221 3.357,1222 3.389,1223 3.44,1224 3.274,1225 3.171,1226 4.496,1227 3.168,1228 3.249,1229 3.315,1230 3.087,1231 2.983,1232 4.358,1233 2.99,1234 3.236,1235 3.303,1236 3.067,1237 2.967,1238 3.967,1239 2.97,1240 3.111,1241 3.206,1242 2.899,1243 2.941,1244 3.767,1245 2.91,1246 0.152,1247 0.121,1248 0.232,1249 0.14,1250 0.109,1251 4.565,1252 0.15,1253 3.642,1254 0.043,1255 6.972,1256 0.393,1257 4.192,1258 0.1,1259 3.279,1260 4.502,1261 1.277,1262 11.777,1263 2.998,1264 1.935,1265 1.903,1266 2.134,1267 2.129,1268 1.543,1269 2.135,1270 1.908,1271 1.874,1272 1.964,1273 1.987,1274 1.206,1275 1.983,1276 1.675,1277 1.645,1278 1.87,1279 1.849,1280 1.14,1281 1.864,1282 1.494,1283 1.455,1284 1.701,1285 1.691,1286 0.956,1287 1.699,1288 1.308,1289 1.248,1290 1.594,1291 1.559,1292 0.825,1293 1.576,1294 1.225,1295 1.176,1296 1.575,1297 1.521,1298 0.729,1299 1.538,1300 1.192,1301 1.116,1302 1.558,1303 1.495,1304 0.619,1305 1.523,1306 1.153,1307 1.064,1308 1.513,1309 1.376,1310 0.579,1311 1.429,1312 4.111,1314 5.434,1315 2.398,1316 6.952,1317 4.727,1318 8.557,1319 6.843,1320 10.21,1322 7.35,1328 8.299,1330 15.981,1332 0.66,1335 1.096,1340 35.233,1341 88.306,1342 185.758,1343 271.355,1344 297.394,1345 299.394,1346 301.394,1347 56.975,1348 7.368,1349 44.76,1350 73,1351 17,1352 12.515,1353 3.585,1354 2.807,1355 50.113,1356 127,1357 140,1358 0.192,1359 220.359,1360 383.07,1361 529.435,1362 15919,1364 20.148,1365 0.72,1366 0.654,1367 20.502,1368 18.324,1369 13.475,1370 0.449,1371 0.366,1372 10.03,1373 12.344,1374 9.596,1375 8.011,1376 13.883,1377 10.972,1378 11.972,1379 0.285,1380 0.224,1381 12.614,1382 9.398,1383 10.085,1384 0.187,1385 0.138,1386 10.923,1387 7.438,1388 7.714,1389 0.115,1390 0.079,1391 8.587,1392 5.264,1393 6.561,1394 0.076,1395 0.048,1396 7.372,1397 4.163,1398 0.311,1399 89.727,1400 0.227,1401 27.257,1402 0.502,1403 144,1404 396.135,1405 182.14,1406 386.292,1407 517.43,1408 364,1409 168,1410 344.169,1411 205.735,1412 368.303,1413 534.03,1414 340,1415 7.276}
{0 CHEMBL87344,1 1.285,2 12.519,3 3.185,4 10.145,5 108.546,6 6.396,7 0.4,8 4.109,9 4.234,10 3.561,11 3.671,12 5.023,13 3.613,14 4.722,15 4.914,16 3.918,17 4.115,18 5.548,19 4.03,20 5.055,21 5.286,22 3.921,23 4.307,24 5.851,25 4.157,26 5.176,27 5.462,28 3.768,29 4.276,30 5.883,31 4.079,32 5.069,33 5.365,34 3.708,35 4.167,36 5.774,37 3.978,38 4.947,39 5.208,40 3.667,41 4.087,42 5.805,43 3.916,44 4.888,45 5.164,46 3.459,47 4.001,48 5.627,49 3.8,50 4.751,51 5.045,52 3.378,53 3.861,54 5.415,55 3.665,56 0.055,57 0.769,58 13.622,59 5.905,60 7.083,61 8.149,62 0.194,63 1.344,64 25.73,65 10.013,66 14.508,67 14.146,68 0.252,69 1.758,70 35.711,71 14.418,72 32.086,73 20.303,74 0.307,75 1.877,76 40.325,77 15.851,78 39.1,79 22.721,80 0.252,81 1.684,82 36.082,83 14.223,84 30.605,85 20.512,86 0.372,87 1.488,88 32.349,89 12.592,90 45.795,91 17.757,92 0.305,93 1.388,94 30.295,95 12.046,96 35.123,97 17.031,98 0.169,99 1.219,100 26.104,101 10.567,102 22.199,103 15.151,104 5,105 42,106 0.212,107 0.508,108 0.745,109 0.83,110 0.838,111 0.838,112 3.339,113 1.044,114 -1.6,115 -1.67,116 -1.71,121 42.1,123 5,124 1,126 1,127 4,144 8,145 3,146 1,159 1,176 15,180 5,187 16,189 3,192 5,200 12,203 3,206 4,214 8,216 3,219 3,227 12,229 2,231 1,232 1,239 14,244 1,246 1,251 12,253 1,256 1,264 7,266 2,269 3,277 4,279 2,281 1108,282 18.361,283 18.361,284 18.361,285 18.361,286 18.361,287 16.794,288 20.337,289 10.843,290 18.598,291 14.81,292 14.81,293 14.81,294 14.81,295 14.81,296 12.412,297 22.377,298 5.172,299 15.19,300 4.548,301 2.752,302 1.316,303 0.798,304 0.75,305 0.75,306 4.038,311 1,312 1,313 747,314 3.391,317 73.828,318 274.273,321 127.269,325 2.055,326 17.747,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 56.5,338 338,339 4.342,340 3.679,341 6.998,342 4.22,343 3.303,344 3.981,345 1.277,346 11.915,347 3.035,348 4.325,349 3.608,350 6.257,351 3.977,352 2.988,353 3.531,354 1.26,355 9.438,356 2.963,357 3.906,358 3.191,359 5.904,360 3.619,361 2.619,362 3.247,363 0.86,364 8.169,365 2.604,366 3.807,367 2.605,368 5.348,369 3.45,370 2.452,371 3.159,372 0.245,373 6.964,374 2.446,375 3.383,376 2.383,377 5.249,378 3.309,379 2.319,380 2.403,382 6.673,383 2.289,384 2.899,385 2.059,386 4.405,387 2.529,388 1.535,389 2.034,391 4.288,392 1.528,393 2.876,394 1.827,395 4.166,396 2.487,397 1.502,398 2.023,400 3.788,401 1.464,402 2.854,403 1.534,404 3.802,405 2.433,406 1.435,407 1.908,409 3.073,410 1.43,411 2.5,412 1.443,413 3.709,414 2,415 1.059,416 1.5,418 2.387,419 1,420 2.179,421 1.114,422 3.439,423 1.99,424 1,425 1.152,427 2.372,428 0.983,429 2,430 1.077,431 3.324,432 1.984,433 1,434 1,436 2.136,437 0.976,438 1.803,439 1,440 3.247,441 1.652,442 0.639,443 0.709,445 1.483,446 0.643,447 1.62,448 0.661,449 3.082,450 1.334,451 0.375,452 0.443,454 0.925,455 0.357,456 1.216,457 0.388,458 2.945,459 1.031,460 0.042,461 0.046,463 0.107,464 0.041,465 0.884,466 0.067,467 2.482,468 0.703,469 -0.284,470 -0.314,472 -0.683,473 -0.278,474 13.067,475 0.484,476 0.646,477 0.024,478 30.75,479 1.139,480 14,481 0.519,482 16.75,483 0.62,484 25.84,485 0.957,486 29.833,487 0.523,488 20.101,489 0.744,490 5.672,491 0.21,492 7.439,493 0.276,494 0.064,495 0.031,496 0.23,501 0.752,502 1.325,503 0.922,504 1.165,505 0.556,506 1.073,507 1.147,508 1.031,509 1.036,510 0.986,511 0.604,512 0.984,513 0.984,514 1.174,515 1.14,516 1.172,517 0.875,518 1.169,519 0.851,520 0.998,521 0.985,522 0.998,523 1.008,524 1.003,525 0.675,526 0.909,527 0.852,528 0.913,529 0.92,530 0.898,531 1.022,532 0.992,533 1.043,534 1.02,535 1.632,536 1.032,537 0.986,538 0.981,539 1.072,540 1.016,541 1.42,542 1.054,543 0.602,544 0.964,545 0.856,546 0.959,547 0.56,548 0.937,549 6,550 0.139,551 3.111,552 1.382,553 1.413,554 0.691,555 0.452,556 0.298,557 0.211,558 0.148,559 10625,560 20748,561 2.133,562 52.6,563 3,564 19,568 2,569 6,572 1.693,573 2.038,574 3.61,575 -0.879,576 1,577 1,582 73.229,583 1.285,584 3.081,585 4.517,586 5.034,587 5.083,588 5.083,589 3.087,590 4.459,591 4.728,592 3.793,593 1331.21,594 8.164,595 17969.2,597 1,599 1,600 332.475,601 1.326,602 4.698,603 0.2,604 0.007,605 0.074,606 0.035,607 0.044,608 0.022,609 0.016,610 0.013,611 0.01,612 0.007,613 0.428,614 0.67,615 1,616 0.454,617 137.036,618 0.041,619 -0.133,620 0.077,621 -0.04,622 0.02,623 0.01,624 -0.094,625 0.108,626 -0.021,627 0.043,628 0.028,629 0.027,630 -0.073,631 -0.143,632 -0.159,633 -0.159,634 0.002,635 -0.165,636 -0.023,637 -0.044,638 -0.022,639 -0.033,640 -0.022,641 -0.028,642 0.045,643 0.041,644 0.102,645 0.047,646 0.015,647 0.077,648 0.077,649 -0.025,650 -0.053,651 -0.044,652 -0.034,653 -0.057,654 -0.02,655 -0.037,656 -0.1,657 -0.042,658 -0.156,659 -0.077,660 0.057,661 -0.027,662 0.089,663 0.013,664 0.043,665 0.048,666 1.378,667 5.611,668 0.778,669 27.226,670 0.984,671 1.122,672 0.372,673 0.138,674 0.648,675 3.434,676 3.761,677 3.989,678 4.205,679 4.407,680 4.394,681 4.454,682 4.543,683 4.466,684 4.522,685 7.401,686 0.598,687 364.55,688 3.434,689 4.977,690 5.814,691 6.686,692 7.537,693 8.411,694 9.268,695 10.142,696 11.001,697 11.875,698 1.8,712 1,715 8,720 4,722 12,727 1,739 1,741 57,743 13,744 2,745 30,747 60,748 24,749 12,750 4,751 8,752 1,756 4,757 5,767 3,768 1,770 5,772 13,773 11,774 1,777 1,782 1,786 1,790 1,793 30,794 2,796 3,802 1,803 1,807 1,808 0.75,809 2,828 1,829 3,832 1,859 3,864 1,868 27,876 9,878 1,880 1,883 1,893 3.5,896 1,898 1,901 13.25,902 10.333,903 5.847,904 3.847,907 1.965,908 1.265,909 0.962,910 5.425,911 9.389,912 3.638,913 4.159,914 4.625,915 5.081,916 5.545,917 5.57,918 5.755,919 5.825,920 5.659,921 5.817,922 1,923 39,924 10.079,926 4.297,927 0.026,929 7.469,931 20.18,933 17.392,936 1.969,937 53.167,940 1,941 353.133,942 127.722,945 36.145,948 127.722,949 389.278,951 8.396,952 23.582,953 75.81,954 30.278,955 25.8,957 353.133,959 353.133,960 127.722,961 36.145,964 282.506,965 106.771,968 23.582,969 104.14,972 353.133,973 36.145,974 127.722,977 353.133,978 43.516,979 84.206,981 36.145,982 353.133,983 36.145,984 127.722,986 0.584,987 0.333,988 0.17,989 0.093,990 21,991 8,992 0.1,993 6,994 1,995 1.095,996 4.077,997 223.165,998 0.095,999 21,1000 120.382,1005 18.404,1006 7.959,1007 4.482,1009 36.145,1010 16.742,1015 4.427,1018 517,1019 37,1024 12.611,1028 0.289,1031 56.069,1032 63.938,1034 0.22,1035 0.528,1036 0.774,1037 0.863,1038 0.871,1039 0.871,1040 4.89,1041 1.435,1042 5.814,1043 3.788,1044 4.443,1045 4.844,1046 2.105,1047 6.624,1048 4.394,1049 6.07,1050 1.059,1051 7.376,1052 3.073,1053 4.111,1054 4.575,1055 0.931,1056 7.769,1057 3.998,1058 7.369,1059 1,1060 9.047,1061 2.387,1062 6.089,1063 6.906,1064 2.326,1065 10.738,1066 5.97,1067 8.701,1068 1,1069 10.787,1070 2.372,1071 6.594,1072 7.418,1073 1.381,1074 12.724,1075 6.387,1076 10.066,1077 0.639,1078 12.573,1079 2.136,1080 8.05,1081 9.257,1082 2.683,1083 15.288,1084 7.829,1085 11.45,1086 0.375,1087 14.391,1088 1.483,1089 8.918,1090 10.127,1091 1.783,1092 17.576,1093 8.6,1094 12.85,1095 0.042,1096 16.231,1097 0.925,1098 10.181,1099 11.752,1100 3.1,1101 20.047,1102 9.832,1103 3.303,1104 -0.284,1105 18.089,1106 0.107,1107 11.212,1108 12.816,1109 2.192,1110 22.446,1111 10.769,1112 2.988,1113 11.915,1114 19.96,1115 -0.683,1116 12.407,1117 14.329,1118 3.547,1119 24.904,1120 11.913,1121 2.619,1122 9.438,1123 21.842,1124 3.981,1125 13.513,1126 15.507,1127 2.615,1128 27.346,1129 12.929,1130 2.452,1131 8.169,1132 23.732,1133 3.531,1134 14.686,1135 16.958,1136 4.009,1137 29.807,1138 14.039,1139 2.319,1140 6.964,1141 25.63,1142 3.247,1143 15.828,1144 18.208,1145 3.05,1146 32.266,1147 15.094,1148 1.535,1149 6.673,1150 27.535,1151 3.159,1152 16.999,1153 19.623,1154 4.481,1155 34.733,1156 16.191,1157 1.502,1158 4.288,1159 29.444,1160 2.403,1161 18.159,1162 20.919,1163 3.495,1164 37.201,1165 17.266,1166 9843,1167 13885,1168 20.455,1169 36.955,1170 44.923,1171 45.898,1172 45.352,1173 44.591,1174 44.537,1175 54.278,1176 7.285,1177 127.435,1178 43.517,1179 5.342,1180 5.679,1181 6.8,1182 5.255,1183 5.303,1184 6.981,1185 2.555,1186 18.337,1187 5.035,1188 9.244,1189 1.497,1190 1.53,1191 1.512,1192 1.486,1193 1.485,1194 1.809,1195 0.243,1196 4.248,1197 1.451,1198 4.044,1199 4.091,1200 3.969,1201 3.945,1202 7.427,1203 3.946,1204 3.974,1205 4.002,1206 3.9,1207 3.879,1208 4.859,1209 3.877,1210 3.837,1211 3.879,1212 3.736,1213 3.743,1214 4.756,1215 3.735,1216 3.614,1217 3.664,1218 3.509,1219 3.444,1220 4.369,1221 3.451,1222 3.411,1223 3.468,1224 3.273,1225 3.248,1226 4.239,1227 3.245,1228 3.211,1229 3.281,1230 3.046,1231 3.054,1232 3.965,1233 3.041,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.715,1239 2.91,1240 2.971,1241 3.055,1242 2.8,1243 2.828,1244 3.674,1245 2.812,1246 0.145,1247 0.123,1248 0.233,1249 0.141,1250 0.11,1251 4.342,1252 0.133,1253 3.679,1254 0.043,1255 6.998,1256 0.397,1257 4.22,1258 0.101,1259 3.303,1260 3.981,1261 1.277,1262 11.915,1263 3.035,1264 1.975,1265 1.931,1266 2.147,1267 2.14,1268 1.543,1269 2.147,1270 1.914,1271 1.894,1272 2.028,1273 1.997,1274 1.242,1275 2.006,1276 1.841,1277 1.798,1278 1.988,1279 1.943,1280 1.18,1281 1.961,1282 1.554,1283 1.493,1284 1.794,1285 1.745,1286 1.044,1287 1.766,1288 1.415,1289 1.358,1290 1.685,1291 1.643,1292 0.905,1293 1.657,1294 1.273,1295 1.218,1296 1.56,1297 1.492,1298 0.825,1299 1.513,1300 1.153,1301 1.064,1302 1.513,1303 1.376,1304 0.778,1305 1.429,1306 1.006,1307 0.932,1308 1.362,1309 1.222,1310 0.504,1311 1.276,1312 4.111,1314 5.434,1315 2.398,1316 6.946,1317 4.595,1318 8.539,1319 6.581,1320 10.172,1322 2.376,1328 9.372,1330 5.537,1332 0.689,1335 1.124,1340 34.09,1341 73.229,1342 175.612,1343 257.455,1344 286.965,1345 289.72,1346 289.72,1347 44.251,1348 7.424,1349 26.3,1350 26.3,1351 23,1352 12.418,1353 3.807,1354 3,1355 40.592,1356 122,1357 106,1358 0.16,1359 207.172,1360 363.94,1361 497.259,1362 18636,1364 18.692,1365 0.692,1366 0.607,1367 18.692,1368 16.377,1369 13.112,1370 0.437,1371 0.348,1372 10.342,1373 12.778,1374 10.086,1375 8.345,1376 13.112,1377 10.442,1378 12.041,1379 0.287,1380 0.21,1381 12.041,1382 8.799,1383 9.984,1384 0.188,1385 0.124,1386 9.984,1387 6.577,1388 7.945,1389 0.12,1390 0.072,1391 7.945,1392 4.768,1393 6.418,1394 0.079,1395 0.045,1396 6.418,1397 3.646,1398 0.26,1399 80.937,1400 0.221,1401 26.606,1402 0.415,1403 144,1404 311.804,1405 152.089,1406 303.298,1407 418.26,1408 286,1409 167,1410 306.063,1411 176.478,1412 312.437,1413 453.87,1414 295,1415 7.408}
{0 CHEMBL87373,1 1.498,2 12.519,3 4.618,4 21.321,5 109.354,6 7.501,7 0.533,8 4.023,9 4.123,10 3.651,11 3.626,12 5.052,13 3.571,14 4.559,15 4.725,16 3.972,17 3.995,18 5.505,19 3.906,20 4.725,21 4.906,22 4.043,23 4.094,24 5.718,25 3.983,26 4.786,27 4.986,28 3.948,29 4.087,30 5.747,31 3.959,32 4.78,33 5.001,34 3.855,35 4.018,36 5.716,37 3.877,38 4.669,39 4.891,40 3.709,41 3.931,42 5.628,43 3.763,44 4.557,45 4.796,46 3.582,47 3.788,48 5.517,49 3.604,50 4.35,51 4.557,52 3.457,53 3.627,54 5.271,55 3.507,56 0.013,57 0.676,58 11.164,59 5.355,60 7.449,61 6.593,62 0.194,63 1.121,64 22.317,65 8.988,66 18.924,67 10.924,68 0.31,69 1.31,70 28.749,71 11.078,72 31.586,73 13.534,74 0.243,75 1.368,76 31.198,77 11.849,78 34.237,79 14.539,80 0.277,81 1.325,82 31.221,83 11.728,84 36.411,85 14.573,86 0.205,87 1.209,88 28.479,89 10.938,90 35.602,91 13.491,92 0.425,93 1.077,94 27.891,95 10.188,96 45.059,97 12.633,98 0.152,99 0.872,100 19.714,101 7.432,102 18.875,103 9.464,104 14,105 42,106 0.251,107 0.579,108 0.755,109 0.806,110 0.813,111 0.819,112 3.339,113 1.024,114 -4.24,115 -4.18,116 -3.95,121 43.1,123 4,124 1,126 2,127 1,144 5,145 2,146 2,147 2,154 2,159 1,176 9,180 3,187 9,189 3,191 1,192 6,200 7,203 3,206 5,214 5,216 1,219 6,227 10,229 1,239 10,243 2,244 2,246 1,251 7,256 2,264 6,266 2,269 3,279 1,281 1163,282 18.583,283 18.583,284 18.583,285 18.583,286 18.583,287 16.657,288 17.687,289 10.777,290 19.167,291 14.691,292 14.691,293 14.691,294 14.691,295 14.691,296 11.523,297 14.306,298 4.991,299 15.459,300 4.175,301 2.211,302 1.159,303 0.853,304 0.814,305 0.775,306 4.027,311 1,312 1,313 743,314 3.464,315 58.147,317 64.303,318 177.657,321 121.854,325 2.019,326 20.295,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 57.5,338 338,339 4.565,340 3.615,341 6.437,342 4.067,343 3.12,344 4.502,345 1.277,346 10.099,347 2.95,348 4.094,349 3.241,350 6.068,351 3.759,352 2.788,353 3.646,354 0.86,355 8.762,356 2.716,357 4.049,358 2.871,359 5.71,360 3.704,361 2.742,362 3.571,363 0.86,364 7.956,365 2.654,366 3.725,367 2.719,368 5.673,369 3.519,370 2.534,371 3.049,373 7.472,374 2.488,375 3.658,376 2.646,377 5.372,378 3.288,379 2.315,380 2.846,382 7.033,383 2.225,384 3.341,385 2.228,386 5.009,387 3.016,388 2.066,389 2.48,391 6.022,392 1.951,393 3.178,394 2.215,395 4.717,396 2.698,397 1.771,398 2.471,400 5.118,401 1.628,402 2.7,403 1.653,404 4.114,405 2.244,406 1.282,407 1.709,409 3.485,410 1.211,411 2.5,412 1.427,413 3.943,414 1.984,415 1.136,416 1.5,418 2.841,419 0.983,420 2.399,421 1.118,422 3.414,423 1.983,424 1,425 1.376,427 2.275,428 0.946,429 1.862,430 1.001,431 3.179,432 1.597,433 0.591,434 0.702,436 1.4,437 0.587,438 1.554,439 1,440 2.934,441 1.262,442 0.365,443 0.397,445 0.648,446 0.31,447 1.486,448 0.518,449 2.887,450 1.202,451 0.254,452 0.311,454 0.473,455 0.249,456 1.423,457 0.511,458 2.734,459 1.12,460 0.241,461 0.285,463 0.458,464 0.208,465 0.865,466 0.023,467 2.403,468 0.603,469 -0.399,470 -0.469,472 -0.908,473 -0.397,474 13.233,475 0.49,476 0.601,477 0.022,478 32.5,479 1.204,480 15.5,481 0.574,482 17,483 0.63,484 23.749,485 0.88,486 29.067,487 0.57,488 21.995,489 0.815,490 6.058,491 0.224,492 7.098,493 0.263,494 0.101,496 0.332,501 0.753,502 1.188,503 0.758,504 1.007,505 0.56,506 0.962,507 1.201,508 0.904,509 0.896,510 0.823,511 0.729,512 0.854,513 0.899,514 1.06,515 1.016,516 1.063,517 1.02,518 0.999,519 1.028,520 1.081,521 1.102,522 1.14,523 1.216,524 1.078,525 1.062,526 1.001,527 1.002,528 1.034,529 0.876,530 1.011,531 0.938,532 1.064,533 1.155,534 1.129,535 1.502,536 1.092,537 0.476,538 0.967,539 1.189,540 1.13,541 0.864,542 0.99,543 0.982,544 1.112,545 1.011,546 1.097,547 0.904,548 1.039,549 6,550 0.167,551 2.944,552 1.444,553 1.682,554 0.869,555 0.546,556 0.344,557 0.166,558 0.131,559 10386,560 23522,561 2.12,562 47.1,563 6,564 13,566 2,568 2,569 1,572 1.694,573 2,574 3.607,575 -0.806,582 76.392,583 1.498,584 3.462,585 4.513,586 4.819,587 4.859,588 4.898,589 3.087,590 4.088,591 4.723,592 3.792,593 1331.06,594 8.167,595 17869.3,597 1,600 289.294,601 1.352,602 4.694,603 0.2,604 0.008,605 0.075,606 0.036,607 0.047,608 0.027,609 0.02,610 0.014,611 0.007,612 0.007,613 0.442,614 0.17,615 1,616 0.806,617 136.8,618 0.008,619 -0.105,620 0.084,621 -0.013,622 0.02,623 0.012,624 -0.136,625 0.153,626 0.068,627 0.168,628 -0.01,629 0.104,630 0.081,631 -0.025,632 0.024,633 -0.026,634 0.018,635 -0.019,636 -0.055,637 -0.073,638 -0.072,639 -0.116,640 -0.088,641 -0.095,642 -0.049,643 -0.032,645 -0.039,646 0.049,647 -0.026,648 -0.062,649 -0.076,650 -0.078,651 -0.079,652 -0.062,653 -0.09,654 0.362,655 0.02,656 0.01,657 -0.013,658 0.26,659 0.034,660 -0.035,661 -0.136,662 -0.048,663 -0.111,664 0.057,665 -0.055,666 1.483,667 5.66,668 0.667,669 28.395,670 0.997,671 1.114,672 3.013,673 9.076,674 0.682,675 3.434,676 3.761,677 3.989,678 4.22,679 4.454,680 4.522,681 4.615,682 4.736,683 4.644,684 4.543,685 7.355,686 0.636,687 382.54,688 3.434,689 4.977,690 5.832,691 6.708,692 7.579,693 8.458,694 9.335,695 10.216,696 11.096,697 11.979,698 2,708 1,714 2,715 7,719 1,720 4,721 1,722 16,727 1,739 2,741 51,743 17,744 1,745 30,747 54,748 22,749 13,750 4,751 2,752 1,756 4,757 5,767 2,768 1,770 4,772 14,773 8,774 1,777 1,782 1,786 1,790 1,793 24,794 3,796 5,797 1,802 1,803 1,808 0.75,809 3,822 1,826 1,828 1,829 2,832 1,859 3,862 1,864 2,868 27,876 5,878 2,880 1,888 1,893 5.9,896 1,898 2,901 13.5,902 9.833,903 6,904 3.16,907 3.033,908 1.408,909 0.989,910 5.555,911 10.468,912 3.689,913 4.301,914 4.88,915 5.466,916 6.036,917 6.361,918 6.701,919 7.068,920 7.034,921 7.007,922 1,923 40,924 10.022,926 4.253,927 0.026,929 7.586,931 19.627,933 16.5,936 2.086,937 56.333,939 1,940 1,941 282.506,942 154.247,943 1.899,945 47.145,947 31.278,948 122.969,949 329.651,950 1.899,951 21.766,952 12.244,953 47.381,954 55.72,955 56.34,956 2.104,957 290.242,959 282.506,960 124.868,961 47.145,962 31.278,964 270.735,965 58.916,968 30.339,969 92.63,970 1.899,971 31.278,972 282.506,973 49.044,974 154.247,977 282.506,978 67.005,979 89.141,981 47.145,982 282.506,983 49.044,984 154.247,986 0.58,987 0.33,988 0.172,989 0.096,990 21,991 9,992 0.148,993 8,994 1,995 1.111,996 4.087,997 223.864,998 0.111,999 18,1000 118.382,1001 1,1005 18.578,1006 8.073,1007 4.558,1008 2.054,1009 47.145,1010 14.362,1014 1.516,1015 3.375,1016 2.246,1018 485.797,1019 39,1024 12.66,1028 0.184,1031 50.822,1032 56.821,1034 0.264,1035 0.61,1036 0.796,1037 0.85,1038 0.857,1039 0.863,1040 4.927,1041 1.282,1042 5.814,1043 5.118,1044 4.443,1045 4.987,1046 1.977,1047 6.611,1048 4.352,1049 6.144,1050 1.136,1051 7.368,1052 3.485,1053 4.111,1054 4.89,1056 7.506,1057 4,1058 7.46,1059 1,1060 9.015,1061 2.841,1062 6.052,1063 7.221,1064 2.142,1065 10.515,1066 5.889,1067 8.81,1068 0.591,1069 10.713,1070 2.275,1071 6.479,1072 7.92,1074 12.16,1075 6.279,1076 10.187,1077 0.365,1078 12.442,1079 1.4,1080 7.912,1081 9.758,1082 2.426,1083 14.702,1084 7.674,1085 11.583,1086 0.254,1087 14.192,1088 0.648,1089 8.679,1090 10.841,1092 16.675,1093 8.39,1094 12.996,1095 0.241,1096 15.956,1097 0.473,1098 9.912,1099 12.478,1100 2.796,1101 19.051,1102 9.586,1103 3.12,1104 -0.399,1105 17.732,1106 0.458,1107 10.846,1108 13.763,1110 21.184,1111 10.462,1112 2.788,1113 10.099,1114 19.517,1115 -0.908,1116 11.995,1117 15.313,1118 3.22,1119 23.499,1120 11.571,1121 2.742,1122 8.762,1123 21.309,1124 4.502,1125 13.014,1126 16.704,1128 25.713,1129 12.529,1130 2.534,1131 7.956,1132 23.108,1133 3.646,1134 14.132,1135 18.218,1136 3.675,1137 28.009,1138 13.6,1139 2.315,1140 7.472,1141 24.912,1142 3.571,1143 15.195,1144 19.663,1146 30.264,1147 14.602,1148 2.066,1149 7.033,1150 26.721,1151 3.049,1152 16.303,1153 21.165,1154 4.146,1155 32.557,1156 15.659,1157 1.771,1158 6.022,1159 28.534,1160 2.846,1161 17.39,1162 22.637,1164 34.834,1165 16.684,1166 9713,1167 14815,1168 20.285,1169 34.773,1170 44.667,1171 46.43,1172 46.113,1173 44.289,1174 44.407,1175 57.69,1176 5.995,1177 128.085,1178 42.21,1179 5.477,1180 5.615,1181 5.978,1182 5.184,1183 5.12,1184 7.502,1185 2.555,1186 16.854,1187 4.95,1188 11.828,1189 1.489,1190 1.548,1191 1.537,1192 1.476,1193 1.48,1194 1.923,1195 0.2,1196 4.269,1197 1.407,1198 4.099,1199 4.109,1200 4.339,1201 4.111,1202 7.427,1203 4.062,1204 4.01,1205 4.049,1206 3.938,1207 3.897,1208 4.969,1209 3.898,1210 3.818,1211 3.866,1212 3.702,1213 3.729,1214 4.778,1215 3.716,1216 3.609,1217 3.631,1218 3.619,1219 3.477,1220 4.527,1221 3.479,1222 3.39,1223 3.432,1224 3.356,1225 3.23,1226 4.496,1227 3.219,1228 3.249,1229 3.314,1230 3.077,1231 2.967,1232 4.258,1233 2.97,1234 3.108,1235 3.173,1236 2.974,1237 2.89,1238 3.902,1239 2.897,1240 2.935,1241 3.014,1242 2.893,1243 2.774,1244 3.748,1245 2.738,1246 0.152,1247 0.12,1248 0.215,1249 0.136,1250 0.104,1251 4.565,1252 0.15,1253 3.615,1254 0.043,1255 6.437,1256 0.337,1257 4.067,1258 0.098,1259 3.12,1260 4.502,1261 1.277,1262 10.099,1263 2.95,1264 1.932,1265 1.903,1266 2.059,1267 2.076,1268 1.269,1269 2.074,1270 1.908,1271 1.891,1272 1.963,1273 1.987,1274 1.14,1275 1.983,1276 1.639,1277 1.623,1278 1.788,1279 1.786,1280 1.108,1281 1.797,1282 1.407,1283 1.361,1284 1.598,1285 1.554,1286 0.838,1287 1.575,1288 1.241,1289 1.188,1290 1.575,1291 1.52,1292 0.825,1293 1.537,1294 1.206,1295 1.154,1296 1.558,1297 1.493,1298 0.634,1299 1.522,1300 1.163,1301 1.09,1302 1.513,1303 1.376,1304 0.58,1305 1.429,1306 1.153,1307 1.064,1308 1.364,1309 1.32,1310 0.569,1311 1.374,1312 4.111,1313 1.946,1314 5.434,1315 3.932,1316 6.946,1317 5.82,1318 8.54,1319 7.673,1320 10.178,1322 3.244,1328 5.123,1330 10.701,1332 0.868,1340 32.411,1341 76.392,1342 176.546,1343 230.174,1344 245.784,1345 247.784,1346 249.784,1347 42.534,1348 7.435,1349 39.41,1350 67.65,1351 20,1352 12.513,1353 4.17,1354 3.322,1355 40.559,1356 119,1357 118,1358 0.164,1359 200.187,1360 343.1,1361 480.216,1362 17741,1364 18.803,1365 0.696,1366 0.615,1367 19.156,1368 16.604,1369 13.157,1370 0.439,1371 0.341,1372 9.369,1373 12.227,1374 9.026,1375 7.486,1376 13.565,1377 10.242,1378 11.68,1379 0.278,1380 0.198,1381 12.322,1382 8.327,1383 9.68,1384 0.183,1385 0.114,1386 10.518,1387 6.033,1388 7.661,1389 0.114,1390 0.064,1391 8.533,1392 4.305,1393 6.364,1394 0.075,1395 0.036,1396 7.175,1397 3.084,1398 0.265,1399 86.442,1400 0.222,1401 26.567,1402 0.426,1403 144,1404 386.4,1405 179.565,1406 387.855,1407 531.65,1408 366,1409 170,1410 369.724,1411 204.687,1412 393.318,1413 573.88,1414 368,1415 5.523}
{0 CHEMBL87441,1 1.527,2 13.893,3 4.015,4 16.122,5 113.203,6 7.418,7 0.533,8 4.067,9 4.168,10 3.673,11 3.618,12 5.127,13 3.57,14 4.615,15 4.783,16 4.005,17 3.986,18 5.596,19 3.913,20 4.766,21 4.942,22 4.07,23 4.104,24 5.783,25 4.004,26 4.813,27 4.999,28 3.974,29 4.107,30 5.796,31 3.978,32 4.88,33 5.123,34 3.894,35 4.022,36 5.799,37 3.887,38 4.709,39 4.926,40 3.789,41 3.963,42 5.693,43 3.816,44 4.648,45 4.873,46 3.668,47 3.896,48 5.629,49 3.716,50 4.551,51 4.792,52 3.515,53 3.721,54 5.435,55 3.585,56 0.003,57 0.714,58 12.048,59 5.672,60 7.94,61 6.899,62 0.281,63 1.153,64 24.495,65 9.258,66 25.156,67 11.095,68 0.461,69 1.331,70 30.583,71 11.26,72 37.898,73 13.605,74 0.191,75 1.386,76 31.573,77 12.307,78 34.327,79 15.161,80 0.379,81 1.411,82 35.483,83 12.186,84 43.784,85 15.503,86 0.274,87 1.246,88 29.708,89 10.824,90 38.246,91 13.387,92 0.412,93 1.17,94 29.361,95 10.928,96 47.152,97 13.717,98 0.232,99 1.019,100 24.823,101 8.819,102 27.37,103 11.585,104 29,105 40,106 0.254,107 0.574,108 0.765,109 0.826,110 0.832,111 0.838,112 3.374,113 1.03,114 -3.45,115 -3.43,116 -3.28,121 40.7,122 1,123 2,126 2,127 3,144 5,145 2,146 2,147 2,154 2,159 1,176 6,180 4,187 9,189 2,191 1,192 6,194 1,200 7,203 1,206 5,214 3,216 1,219 8,227 5,229 2,232 1,239 7,243 2,244 3,246 1,251 6,256 3,264 5,266 2,269 2,277 1,279 1,281 1336,282 19.265,283 19.265,284 19.265,285 19.265,286 19.265,287 17.34,288 20.231,289 11.58,290 20.094,291 14.657,292 14.657,293 14.657,294 14.657,295 14.657,296 11.479,297 17.592,298 5.323,299 15.7,300 4.228,301 2.296,302 1.146,303 0.783,304 0.746,305 0.709,306 4.057,311 1,312 1,313 818,314 3.808,317 68.618,318 189.397,321 129.942,325 2.258,326 23.064,329 1,330 0.83,331 0.83,332 1,333 0.5,334 1,335 1,336 0.88,337 60.5,338 389,339 4.565,340 3.615,341 6.437,342 4.067,343 3.12,344 4.502,345 1.277,346 10.099,347 2.95,348 4.091,349 3.241,350 6.068,351 3.719,352 2.754,353 3.641,354 0.86,355 8.762,356 2.671,357 4.03,358 2.809,359 5.709,360 3.602,361 2.647,362 3.57,363 0.86,364 7.513,365 2.533,366 3.702,367 2.711,368 5.487,369 3.306,370 2.341,371 3.047,372 0.86,373 7.322,374 2.233,375 3.48,376 2.49,377 5.128,378 3.136,379 2.178,380 2.762,382 6.365,383 2.068,384 3.178,385 2.215,386 4.717,387 2.698,388 1.771,389 2.471,391 5.118,392 1.628,393 2.707,394 2.2,395 4.115,396 2.477,397 1.608,398 1.719,400 3.499,401 1.389,402 2.637,403 1.653,404 3.943,405 2.241,406 1.282,407 1.636,409 3.092,410 1.207,411 2.5,412 1.427,413 3.616,414 1.984,415 1.136,416 1.5,418 2.841,419 0.983,420 2.399,421 1.169,422 3.414,423 1.983,424 1,425 1.376,427 2.275,428 0.946,429 1.929,430 1.003,431 3.09,432 1.753,433 0.794,434 0.857,436 1.495,437 0.753,438 1.705,439 1,440 2.887,441 1.475,442 0.475,443 0.558,445 0.97,446 0.467,447 1.554,448 0.958,449 2.799,450 1.207,451 0.353,452 0.389,454 0.482,455 0.3,456 1.485,457 0.518,458 2.722,459 1.121,460 0.241,461 0.311,463 0.458,464 0.209,465 1.07,466 0.333,467 2.403,468 0.815,469 -0.139,470 -0.155,472 -0.252,473 -0.131,474 13.567,475 0.485,476 0.533,477 0.019,478 33,479 1.179,480 15.5,481 0.554,482 17.5,483 0.625,484 24.923,485 0.89,486 31.133,487 0.577,488 23.867,489 0.852,490 6.594,491 0.235,492 7.045,493 0.252,494 0.135,496 0.287,501 0.8,502 1.298,503 0.778,504 1.103,505 0.625,506 1.029,507 1.362,508 0.844,509 0.902,510 0.76,511 0.849,512 0.785,513 1.053,514 0.926,515 1.058,516 0.986,517 1.11,518 0.955,519 0.875,520 1.29,521 1.129,522 1.312,523 1.172,524 1.235,525 1.036,526 0.915,527 0.922,528 0.92,529 0.827,530 0.887,531 0.999,532 0.994,533 1.151,534 1.059,535 1.486,536 1.028,537 0.432,538 1.111,539 1.217,540 1.252,541 0.84,542 1.144,543 0.878,544 0.995,545 0.907,546 0.977,547 0.839,548 0.943,549 5.5,550 0.151,551 2.889,552 1.417,553 1.592,554 0.903,555 0.541,556 0.378,557 0.204,558 0.136,559 10663,560 27411,561 2.034,562 48.1,563 2,564 17,566 2,568 2,569 3,572 1.704,573 1.909,574 3.735,575 -0.778,577 1,582 82.445,583 1.527,584 3.459,585 4.609,586 4.972,587 5.009,588 5.046,589 3.261,590 4.066,591 4.772,592 3.904,593 1475.61,594 8.266,595 20680.4,597 1,599 1,600 310.764,601 1.379,602 4.74,603 0.183,604 0.008,605 0.072,606 0.035,607 0.044,608 0.027,609 0.018,610 0.015,611 0.009,612 0.006,613 0.417,614 0.33,615 1,616 1.433,617 144.538,618 -0.001,619 -0.166,620 0.081,621 -0.06,622 -0.013,623 -0.021,624 -0.185,625 0.223,626 0.087,627 0.245,628 -0.058,629 0.177,630 0.017,631 0.13,632 -0.004,633 0.07,634 -0.035,635 0.029,636 -0.026,637 -0.272,638 -0.116,639 -0.253,640 -0.081,641 -0.224,642 -0.048,643 0.054,644 0.085,645 0.054,646 0.076,647 0.091,648 -0.106,649 0.034,650 -0.076,651 -0.006,652 -0.078,653 -0.031,654 0.271,655 -0.102,656 -0.081,657 -0.133,658 0.192,659 -0.109,660 -0.019,661 -0.044,662 0.039,663 -0.012,664 0.037,665 0.051,666 1.507,667 5.664,668 0.536,669 32.959,670 1.001,671 1.119,672 2.225,673 4.95,674 0.666,675 3.434,676 3.714,677 3.97,678 4.19,679 4.419,680 4.5,681 4.575,682 4.682,683 4.625,684 4.522,685 7.848,686 0.623,687 400.56,688 3.434,689 4.949,690 5.784,691 6.642,692 7.502,693 8.37,694 9.24,695 10.114,696 10.99,697 11.869,698 1.9,708 1,714 2,715 7,719 1,720 4,721 1,722 16,727 1,739 2,741 54,743 17,744 1,745 30,747 56,748 22,749 13,750 4,751 2,752 1,756 3,757 4,763 1,770 2,772 14,773 8,777 1,782 1,786 1,790 1,793 26,794 4,796 6,797 1,802 1,803 1,808 0.667,809 4,822 1,828 1,829 2,832 1,858 1,859 2,862 1,864 3,868 28,876 5,878 3,888 1,893 7.4,896 1,897 1,898 2,901 14.667,902 10.667,903 6.5,904 3.326,907 3.023,908 1.41,909 0.953,910 7.541,911 10.391,912 3.689,913 4.273,914 4.872,915 5.453,916 6.02,917 6.347,918 6.677,919 7.04,920 7.024,921 7.002,922 1,923 41,924 10.362,926 4.221,927 0.026,929 7.661,931 20.003,933 15.829,936 2.161,937 60.5,939 1,940 1,941 306.049,942 167.188,943 1.899,945 58.145,947 31.278,948 135.91,949 364.193,950 1.899,951 30.591,952 16.36,953 47.381,954 66.72,955 56.34,956 2.104,957 313.784,959 306.049,960 137.809,961 58.145,962 31.278,964 270.735,965 82.458,966 11,968 43.28,969 92.63,970 1.899,971 31.278,972 306.049,973 60.044,974 167.188,977 306.049,978 71.12,979 97.966,981 58.145,982 306.049,983 60.044,984 167.188,986 0.562,987 0.333,988 0.174,989 0.098,990 17,991 8,992 0.179,993 10,994 1,995 1.133,996 4.081,997 225.133,998 0.133,999 15,1000 130.606,1001 1,1005 20.904,1006 10.101,1007 5.383,1008 2.025,1009 58.145,1010 13.998,1014 1.5,1015 3.282,1016 2.091,1018 533.28,1019 39,1024 12.664,1028 0.159,1031 54.032,1032 60.446,1034 0.265,1035 0.601,1036 0.801,1037 0.864,1038 0.87,1039 0.877,1040 4.898,1041 1.282,1042 5.746,1043 3.499,1044 4.394,1045 4.959,1046 2.164,1047 6.521,1048 4.278,1049 6.091,1050 1.136,1051 7.283,1052 3.092,1053 3.892,1054 4.796,1056 7.345,1057 3.751,1058 7.394,1059 1,1060 8.917,1061 2.841,1062 5.953,1063 7.191,1064 2.263,1065 10.409,1066 5.75,1067 8.737,1068 0.794,1069 10.608,1070 2.275,1071 6.293,1072 7.879,1074 12.045,1075 6.05,1076 10.113,1077 0.475,1078 12.334,1079 1.495,1080 7.784,1081 9.738,1082 2.495,1083 14.608,1084 7.497,1085 11.512,1086 0.353,1087 14.085,1088 0.97,1089 8.517,1090 10.823,1092 16.591,1093 8.174,1094 12.928,1095 0.241,1096 15.852,1097 0.482,1098 9.776,1099 12.467,1100 2.832,1101 18.978,1102 9.395,1103 3.12,1104 -0.139,1105 17.633,1106 0.458,1107 10.701,1108 13.755,1110 21.123,1111 10.256,1112 2.754,1113 10.099,1114 19.422,1115 -0.252,1116 11.865,1117 15.308,1118 3.238,1119 23.447,1120 11.379,1121 2.647,1122 8.762,1123 21.22,1124 4.502,1125 12.886,1126 16.699,1128 25.67,1129 12.335,1130 2.341,1131 7.513,1132 23.025,1133 3.641,1134 14.013,1135 18.215,1136 3.683,1137 27.973,1138 13.416,1139 2.178,1140 7.322,1141 24.835,1142 3.57,1143 15.082,1144 19.66,1146 30.234,1147 14.421,1148 1.771,1149 6.365,1150 26.65,1151 3.047,1152 16.199,1153 21.163,1154 4.149,1155 32.533,1156 15.487,1157 1.608,1158 5.118,1159 28.469,1160 2.762,1161 17.293,1162 22.636,1164 34.815,1165 16.519,1166 10512,1167 17031,1168 19.879,1169 35.989,1170 43.521,1171 45.362,1172 45.595,1173 43.315,1174 43.402,1175 56.68,1176 7.715,1177 120.579,1178 40.67,1179 5.444,1180 5.615,1181 6.347,1182 5.184,1183 5.12,1184 7.502,1185 2.555,1186 16.854,1187 4.95,1188 14.402,1189 1.451,1190 1.512,1191 1.52,1192 1.444,1193 1.447,1194 1.889,1195 0.257,1196 4.019,1197 1.356,1198 4.096,1199 4.098,1200 4.339,1201 4.111,1202 7.427,1203 4.062,1204 3.97,1205 4.013,1206 3.907,1207 3.852,1208 4.969,1209 3.857,1210 3.647,1211 3.682,1212 3.63,1213 3.497,1214 4.789,1215 3.501,1216 3.555,1217 3.594,1218 3.448,1219 3.361,1220 4.564,1221 3.361,1222 3.408,1223 3.457,1224 3.336,1225 3.241,1226 4.527,1227 3.228,1228 3.253,1229 3.321,1230 3.089,1231 3.075,1232 4.496,1233 3.06,1234 3.248,1235 3.314,1236 3.07,1237 2.967,1238 3.959,1239 2.97,1240 3.032,1241 3.109,1242 2.901,1243 2.832,1244 3.783,1245 2.812,1246 0.152,1247 0.12,1248 0.215,1249 0.136,1250 0.104,1251 4.565,1252 0.15,1253 3.615,1254 0.043,1255 6.437,1256 0.337,1257 4.067,1258 0.098,1259 3.12,1260 4.502,1261 1.277,1262 10.099,1263 2.95,1264 1.934,1265 1.903,1266 2.064,1267 2.085,1268 1.265,1269 2.081,1270 1.908,1271 1.893,1272 1.963,1273 1.987,1274 1.14,1275 1.983,1276 1.646,1277 1.627,1278 1.844,1279 1.822,1280 1.094,1281 1.832,1282 1.521,1283 1.471,1284 1.767,1285 1.738,1286 0.933,1287 1.753,1288 1.364,1289 1.301,1290 1.603,1291 1.548,1292 0.802,1293 1.574,1294 1.235,1295 1.181,1296 1.575,1297 1.519,1298 0.626,1299 1.537,1300 1.203,1301 1.142,1302 1.561,1303 1.494,1304 0.579,1305 1.524,1306 1.159,1307 1.086,1308 1.365,1309 1.328,1310 0.568,1311 1.38,1312 4.111,1314 5.398,1315 2.398,1316 6.88,1317 4.727,1318 8.454,1319 6.843,1320 10.078,1322 5.223,1328 3.496,1330 16.061,1340 33.653,1341 82.445,1342 186.792,1343 248.89,1344 268.499,1345 270.499,1346 272.499,1347 51.204,1348 7.368,1349 48.64,1350 76.88,1351 17,1352 12.407,1353 4.17,1354 3.322,1355 50.173,1356 131,1357 158,1358 0.185,1359 211.576,1360 364.25,1361 508.007,1362 16351,1364 19.933,1365 0.712,1366 0.623,1367 20.286,1368 17.435,1369 13.639,1370 0.455,1371 0.343,1372 9.389,1373 12.544,1374 9.019,1375 7.506,1376 14.047,1377 10.302,1378 11.497,1379 0.287,1380 0.191,1381 12.139,1382 7.626,1383 9.821,1384 0.189,1385 0.112,1386 10.659,1387 5.839,1388 7.69,1389 0.118,1390 0.064,1391 8.562,1392 4.132,1393 6.28,1394 0.077,1395 0.035,1396 7.091,1397 2.895,1398 0.302,1399 90.336,1400 0.224,1401 27.486,1402 0.477,1403 140,1404 426.135,1405 178.444,1406 416.811,1407 563.19,1408 394,1409 162,1410 381.36,1411 198.901,1412 402.272,1413 585.15,1414 376,1415 8.155}
{0 CHEMBL87550,1 1.403,2 12.464,3 4.077,4 16.619,5 117.724,6 7.046,7 0.516,8 4.102,9 4.214,10 3.681,11 3.696,12 5.078,13 3.628,14 4.673,15 4.854,16 4.058,17 4.122,18 5.536,19 4.029,20 4.906,21 5.093,22 4.078,23 4.306,24 5.741,25 4.161,26 5.097,27 5.357,28 4.03,29 4.317,30 5.812,31 4.131,32 5.032,33 5.289,34 3.977,35 4.257,36 5.77,37 4.069,38 4.906,39 5.145,40 3.778,41 4.203,42 5.638,43 3.989,44 4.855,45 5.135,46 3.602,47 4.043,48 5.518,49 3.82,50 4.586,51 4.833,52 3.484,53 3.84,54 5.313,55 3.646,56 0.05,57 0.745,58 13.316,59 5.87,60 10.408,61 7.6,62 0.245,63 1.29,64 26.087,65 9.873,66 19.397,67 12.677,68 0.291,69 1.61,70 33.6,71 13.679,72 24.529,73 17.72,74 0.262,75 1.855,76 41.545,77 16.39,78 29.611,79 21.838,80 0.333,81 1.742,82 42.13,83 15.737,84 32.852,85 20.124,86 0.184,87 1.598,88 37.429,89 14.662,90 24.968,91 18.98,92 0.192,93 1.454,94 33.572,95 13.294,96 23.651,97 17.681,98 0.127,99 1.131,100 26.873,101 10.511,102 16.861,103 13.464,104 14,105 44,106 0.23,107 0.534,108 0.722,109 0.787,110 0.801,111 0.807,112 3.374,113 1.044,114 -1.52,115 -1.6,116 -1.64,121 42.9,123 2,126 3,127 3,137 1,138 1,144 8,145 2,146 2,154 2,176 11,180 2,187 16,189 3,191 1,192 3,200 9,203 3,206 3,214 9,216 3,219 2,227 9,229 1,232 2,239 11,241 2,244 2,251 6,253 1,256 4,264 5,266 2,277 6,281 1188,282 19.135,283 19.135,284 19.135,285 19.135,286 19.135,287 17.067,288 19.914,289 11.161,290 19.793,291 15.209,292 15.209,293 15.209,294 15.209,295 15.209,296 11.942,297 26.537,298 5.186,299 16.125,300 4.404,301 2.558,302 1.411,303 1.018,304 0.933,305 0.898,306 4.072,311 1,312 1,313 759,314 3.24,317 65.266,318 278.178,321 124.072,325 2.036,326 11.893,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 58.5,338 349,339 4.55,340 3.69,341 6.998,342 4.221,343 3.304,344 4.493,345 1.26,346 11.915,347 3.035,348 4.335,349 3.26,350 6.398,351 4.038,352 3.095,353 3.559,354 0.86,355 9.988,356 2.916,357 4.031,358 2.925,359 5.947,360 3.605,361 2.668,362 3.519,363 0.86,364 8.438,365 2.523,366 3.829,367 2.727,368 5.464,369 3.433,370 2.449,371 3.225,372 0.68,373 7.253,374 2.388,375 3.717,376 2.558,377 5.289,378 3.312,379 2.335,380 3.011,381 0.245,382 6.765,383 2.262,384 3.178,385 2.215,386 4.873,387 2.749,388 1.806,389 2.471,391 5.468,392 1.685,393 3.129,394 1.914,395 4.717,396 2.697,397 1.771,398 2.306,400 5.118,401 1.623,402 2.871,403 1.533,404 3.943,405 2.434,406 1.437,407 2.024,409 3.072,410 1.432,411 2.5,412 1.427,413 3.802,414 2,415 1.136,416 1.5,418 2.841,419 1,420 2.399,421 1.208,422 3.707,423 1.985,424 1,425 1.376,427 2.372,428 0.983,429 2,430 1.011,431 3.314,432 1.984,433 1,434 1,436 2.136,437 0.949,438 1.66,439 1,440 3.247,441 1.328,442 0.401,443 0.454,445 0.897,446 0.358,447 1.554,448 0.518,449 2.928,450 1.204,451 0.312,452 0.357,454 0.488,455 0.283,456 1.48,457 0.448,458 2.887,459 1.122,460 0.241,461 0.311,463 0.458,464 0.209,465 1.11,466 0.106,467 2.718,468 0.833,469 -0.137,470 -0.163,472 -0.37,473 -0.132,474 13.9,475 0.496,476 0.676,477 0.024,478 34,479 1.214,480 16.5,481 0.589,482 17.5,483 0.625,484 26.205,485 0.936,486 30.2,487 0.539,488 23.112,489 0.825,490 6.707,491 0.24,492 6.875,493 0.246,494 0.108,495 0.029,496 0.252,501 0.898,502 1.254,503 0.814,504 1.035,505 0.851,506 0.999,507 1.55,508 0.771,509 0.902,510 0.704,511 1.022,512 0.76,513 0.8,514 1.201,515 1.158,516 1.197,517 0.788,518 1.194,519 0.673,520 1.019,521 0.848,522 0.982,523 0.702,524 0.991,525 1.014,526 0.92,527 1.063,528 0.988,529 1.037,530 0.934,531 0.489,532 1.234,533 1.344,534 1.357,535 0.802,536 1.236,537 0.546,538 0.991,539 0.974,540 1.012,541 0.723,542 1.004,543 0.605,544 1.179,545 1.222,546 1.267,547 0.857,548 1.115,549 7,550 0.192,551 2.667,552 2.167,553 1.649,554 0.837,555 0.639,556 0.301,557 0.326,558 0.117,559 10874,560 23540,561 2.106,562 50,564 24,569 4,572 1.705,573 1.988,574 3.608,575 -0.848,577 1,582 78.567,583 1.403,584 3.249,585 4.396,586 4.789,587 4.874,588 4.91,589 3.101,590 3.923,591 4.778,592 3.776,593 1427.43,594 8.277,595 19400.5,597 1,599 1,600 325.212,601 1.454,602 4.74,603 0.226,604 0.009,605 0.061,606 0.05,607 0.043,608 0.023,609 0.021,610 0.012,611 0.014,612 0.005,613 0.465,614 0.67,615 1,616 0.789,617 142.809,618 0.047,619 -0.147,620 0.094,621 -0.031,622 0.056,623 0.001,624 -0.189,625 0.331,626 0.096,627 0.273,628 0.014,629 0.196,630 0.072,631 -0.153,632 -0.156,633 -0.171,634 0.051,635 -0.197,636 0.069,637 -0.056,638 0.086,639 -0.02,640 0.107,641 -0.002,642 -0.036,643 0.064,644 0.03,645 0.05,646 -0.053,647 0.058,648 -0.007,649 -0.225,650 -0.21,651 -0.249,652 -0.112,653 -0.206,654 0.025,655 -0.037,656 0.007,657 -0.018,658 0.007,659 -0.002,660 0.052,661 -0.187,662 -0.102,663 -0.184,664 -0.059,665 -0.098,666 0.876,667 1.939,668 0.75,669 29.602,670 0.987,671 1.115,672 0.294,673 0.087,674 0.676,675 3.466,676 3.807,677 4.06,678 4.331,679 4.564,680 4.605,681 4.762,682 4.868,683 4.898,684 5.011,685 7.306,686 0.621,687 394.6,688 3.466,689 5.017,690 5.866,691 6.756,692 7.622,693 8.515,694 9.389,695 10.282,696 11.16,697 12.054,698 1.8,712 1,714 2,715 8,719 1,720 4,722 16,739 2,741 56,743 17,744 2,745 31,747 59,748 24,749 14,750 5,751 7,752 2,756 4,757 5,767 2,770 2,772 16,773 8,777 1,784 1,786 1,790 1,793 28,794 2,796 4,797 1,802 1,803 1,807 1,808 0.75,809 2,828 1,829 3,832 1,849 1,850 1,859 3,862 1,864 3,868 28,876 5,878 2,883 1,888 1,893 3.6,898 2,901 14.083,902 11,903 6.181,904 3.403,907 3.513,908 1.455,909 0.974,910 5.744,911 11.231,912 3.714,913 4.327,914 4.899,915 5.5,916 6.046,917 6.372,918 6.809,919 7.189,920 7.32,921 7.592,922 1,923 43,924 10.354,926 4.297,927 0.026,929 7.411,931 20.614,933 17.213,936 1.911,937 53.5,939 1,940 1,941 329.591,942 179.648,945 22,947 31.278,948 148.37,949 351.591,951 30.162,952 11.386,953 85.286,955 41.431,956 2.104,957 360.869,959 329.591,960 148.37,961 22,962 31.278,964 282.506,965 69.084,968 11.386,969 127.508,970 9.476,971 31.278,972 329.591,973 22,974 179.648,977 329.591,978 64.199,979 115.449,981 22,982 329.591,983 22,984 179.648,986 0.58,987 0.34,988 0.185,989 0.103,990 22,991 9,992 0.085,993 5,994 1,995 1.095,996 4.058,997 240.343,998 0.095,999 21,1000 126.606,1001 1,1005 19.471,1006 8.26,1007 4.441,1008 2.458,1009 22,1010 17.281,1014 1.825,1015 4.339,1018 531.238,1019 40,1026 2.398,1028 1.564,1031 55.261,1032 62.442,1034 0.242,1035 0.56,1036 0.757,1037 0.825,1038 0.839,1039 0.845,1040 4.963,1041 1.437,1042 5.878,1043 5.118,1044 4.489,1045 5.014,1046 1.994,1047 6.715,1048 4.378,1049 6.184,1050 1.136,1051 7.454,1052 3.072,1053 4.205,1054 4.879,1055 0.931,1056 7.863,1057 3.998,1058 7.512,1059 1,1060 9.135,1061 2.841,1062 6.159,1063 7.24,1064 1.862,1065 10.854,1066 5.932,1067 8.873,1068 1,1069 10.88,1070 2.372,1071 6.686,1072 7.904,1073 1.381,1074 12.815,1075 6.336,1076 10.263,1077 0.401,1078 12.668,1079 2.136,1080 8.134,1081 9.76,1082 1.938,1083 15.394,1084 7.765,1085 11.673,1086 0.312,1087 14.485,1088 0.897,1089 9.016,1090 10.818,1091 1.783,1092 17.664,1093 8.523,1094 13.098,1095 0.241,1096 16.323,1097 0.488,1098 10.278,1099 12.463,1100 2.163,1101 20.139,1102 9.749,1103 3.304,1104 -0.137,1105 18.178,1106 0.458,1107 11.32,1108 13.732,1109 2.192,1110 22.525,1111 10.676,1112 3.095,1113 11.915,1114 20.046,1115 -0.37,1116 12.516,1117 15.285,1118 2.487,1119 24.979,1120 11.817,1121 2.668,1122 9.988,1123 21.925,1124 4.493,1125 13.629,1126 16.667,1127 2.615,1128 27.411,1129 12.826,1130 2.449,1131 8.438,1132 23.813,1133 3.559,1134 14.805,1135 18.182,1136 2.872,1137 29.867,1138 13.934,1139 2.335,1140 7.253,1141 25.708,1142 3.519,1143 15.95,1144 19.622,1145 3.05,1146 32.319,1147 14.984,1148 1.806,1149 6.765,1150 27.61,1151 3.225,1152 17.122,1153 21.124,1154 3.291,1155 34.78,1156 16.08,1157 1.771,1158 5.468,1159 29.517,1160 3.011,1161 18.283,1162 22.594,1163 3.495,1164 37.242,1165 17.151,1166 10284,1167 15297,1168 20.86,1169 37.841,1170 46.338,1171 46.473,1172 47.543,1173 45.852,1174 45.908,1175 59.21,1176 7.81,1177 134.417,1178 43.289,1179 5.55,1180 5.69,1181 6.8,1182 5.338,1183 5.304,1184 7.493,1185 2.12,1186 18.642,1187 5.035,1188 12.187,1189 1.495,1190 1.499,1191 1.534,1192 1.479,1193 1.481,1194 1.91,1195 0.252,1196 4.336,1197 1.396,1198 4.106,1199 4.121,1200 4.337,1201 4.118,1202 4.979,1203 4.068,1204 3.984,1205 4.024,1206 3.909,1207 3.885,1208 4.757,1209 3.881,1210 3.824,1211 3.865,1212 3.734,1213 3.729,1214 4.598,1215 3.725,1216 3.544,1217 3.575,1218 3.59,1219 3.42,1220 4.496,1221 3.411,1222 3.351,1223 3.404,1224 3.269,1225 3.19,1226 4.386,1227 3.182,1228 3.249,1229 3.314,1230 3.077,1231 2.967,1232 4.064,1233 2.97,1234 3.111,1235 3.206,1236 2.905,1237 2.941,1238 3.727,1239 2.91,1240 3.039,1241 3.119,1242 2.866,1243 2.863,1244 3.674,1245 2.846,1246 0.147,1247 0.119,1248 0.226,1249 0.136,1250 0.107,1251 4.55,1252 0.145,1253 3.69,1254 0.041,1255 6.998,1256 0.384,1257 4.221,1258 0.098,1259 3.304,1260 4.493,1261 1.26,1262 11.915,1263 3.035,1264 1.969,1265 1.925,1266 2.126,1267 2.129,1268 1.473,1269 2.133,1270 1.908,1271 1.903,1272 1.998,1273 1.987,1274 1.143,1275 1.984,1276 1.846,1277 1.811,1278 1.958,1279 1.941,1280 1.134,1281 1.962,1282 1.546,1283 1.512,1284 1.696,1285 1.671,1286 0.902,1287 1.697,1288 1.274,1289 1.221,1290 1.578,1291 1.526,1292 0.825,1293 1.543,1294 1.214,1295 1.169,1296 1.57,1297 1.511,1298 0.672,1299 1.531,1300 1.175,1301 1.098,1302 1.513,1303 1.376,1304 0.581,1305 1.429,1306 1.153,1307 1.064,1308 1.421,1309 1.355,1310 0.573,1311 1.418,1312 4.143,1314 5.476,1315 2.398,1316 7.004,1317 4.727,1318 8.616,1319 6.823,1320 10.271,1322 5.764,1328 5.867,1330 10.877,1335 1.127,1340 34.75,1341 78.567,1342 181.972,1343 246.192,1344 268.192,1345 272.947,1346 274.947,1347 36.678,1348 7.718,1349 18.46,1350 46.7,1351 23,1352 12.583,1353 4.17,1354 3.322,1355 42.758,1356 125,1357 114,1358 0.169,1359 215.375,1360 368.91,1361 517.276,1362 24816,1364 19.562,1365 0.699,1366 0.635,1367 19.916,1368 17.773,1369 13.582,1370 0.438,1371 0.348,1372 9.91,1373 12.671,1374 9.48,1375 7.922,1376 13.99,1377 10.791,1378 12.364,1379 0.281,1380 0.211,1381 13.032,1382 9.285,1383 10.35,1384 0.182,1385 0.123,1386 11.085,1387 7.006,1388 8.644,1389 0.115,1390 0.071,1391 9.527,1392 5.311,1393 7.167,1394 0.075,1395 0.043,1396 7.999,1397 4.04,1398 0.271,1399 88.584,1400 0.219,1401 27.157,1402 0.444,1403 150,1404 348.664,1405 183.822,1406 358.73,1407 500.25,1408 340,1409 176,1410 353.806,1411 207.634,1412 382.357,1413 555.15,1414 356,1415 4.523}
{0 CHEMBL87623,1 1.372,2 12.367,3 2.181,4 4.755,5 116.351,6 6.622,7 0.364,8 4.205,9 4.322,10 3.673,11 3.718,12 5.202,13 3.681,14 4.809,15 4.992,16 4.05,17 4.169,18 5.692,19 4.11,20 5.126,21 5.323,22 4.185,23 4.401,24 6.046,25 4.297,26 5.337,27 5.589,28 4.133,29 4.432,30 6.265,31 4.292,32 5.299,33 5.559,34 4.057,35 4.375,36 6.167,37 4.23,38 5.202,39 5.451,40 3.956,41 4.318,42 6.098,43 4.163,44 5.158,45 5.429,46 3.768,47 4.181,48 6.047,49 4.003,50 4.932,51 5.201,52 3.68,53 3.987,54 5.787,55 3.84,56 0.045,57 0.834,58 14.697,59 6.354,60 12.248,61 8.475,62 0.274,63 1.423,64 28.087,65 10.559,66 25.839,67 14.51,68 0.347,69 1.874,70 38.482,71 15.176,72 39.232,73 20.898,74 0.56,75 2.12,76 48.801,77 17.662,78 91.022,79 24.885,80 0.665,81 2.011,82 47.258,83 16.814,84 75.656,85 23.763,86 0.482,87 1.874,88 42.331,89 15.73,90 66.332,91 22.19,92 0.719,93 1.714,94 41.285,95 14.451,96 85.719,97 20.67,98 0.291,99 1.378,100 32.452,101 11.772,102 47.414,103 16.676,104 30,105 48,106 0.222,107 0.543,108 0.765,109 0.811,110 0.823,111 0.828,112 3.44,113 0.995,114 -0.48,115 -0.61,116 -0.75,121 40.3,123 3,124 2,126 3,127 3,129 1,144 7,145 3,146 2,159 1,176 13,180 4,185 2,187 14,189 3,191 1,192 7,197 3,200 10,203 3,206 5,209 1,211 2,214 6,216 2,218 1,219 5,224 2,226 1,227 11,229 2,231 1,239 10,241 1,244 2,246 1,247 2,249 1,251 5,253 2,256 4,261 2,264 4,266 2,269 1,274 2,277 6,281 1464,282 20.24,283 20.24,284 20.24,285 20.24,286 20.24,287 18.697,288 25.464,289 11.575,290 20.723,291 16.111,292 16.111,293 16.111,294 16.111,295 16.111,296 13.633,297 29.727,298 5.3,299 16.715,300 4.582,301 2.602,302 1.237,303 0.952,304 0.875,305 0.843,306 4.132,311 1,312 1,313 801,314 3.606,317 70.003,318 299.04,321 133.436,325 1.991,326 31.629,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 64.5,338 371,339 4.545,340 3.827,341 7.001,342 4.287,343 3.322,344 4.176,345 1.277,346 11.922,347 3.283,348 4.329,349 3.679,350 6.844,351 4.209,352 3.255,353 3.532,354 1.26,355 11.301,356 3.037,357 4.072,358 3.191,359 6.298,360 3.815,361 2.856,362 3.411,363 0.86,364 9.454,365 2.737,366 3.816,367 2.885,368 5.997,369 3.527,370 2.557,371 3.165,372 0.86,373 8.397,374 2.472,375 3.684,376 2.582,377 5.359,378 3.389,379 2.4,380 2.799,381 0.245,382 6.801,383 2.361,384 3.263,385 2.552,386 5.283,387 2.935,388 1.936,389 2.455,391 6.244,392 1.926,393 3.014,394 2.197,395 4.937,396 2.787,397 1.81,398 2.109,400 5.475,401 1.768,402 2.871,403 1.898,404 4.322,405 2.438,406 1.442,407 2.018,409 3.641,410 1.436,411 2.594,412 1.533,413 3.871,414 2.318,415 1.374,416 1.558,418 3.076,419 1.277,420 2.5,421 1.375,422 3.802,423 2,424 1,425 1.5,427 2.372,428 1,429 2.048,430 1.08,431 3.668,432 1.984,433 1,434 1,436 2.354,437 0.983,438 2,439 1.077,440 3.281,441 1.858,442 0.921,443 0.991,445 2.136,446 0.852,447 1.684,448 1,449 3.247,450 1.419,451 0.47,452 0.551,454 0.946,455 0.439,456 1.468,457 0.99,458 3.087,459 1.212,460 0.362,461 0.39,463 0.491,464 0.305,465 1.199,466 0.487,467 2.783,468 1.015,469 0.055,470 0.06,472 0.146,473 0.053,474 14.233,475 0.474,476 0.821,477 0.027,478 33.5,479 1.117,480 14.5,481 0.483,482 19,483 0.633,484 31.256,485 1.042,486 34.067,487 0.549,488 25.757,489 0.859,490 6.498,491 0.217,492 7.939,493 0.265,494 0.152,495 0.028,496 0.316,501 0.837,502 1.367,503 0.896,504 1.209,505 0.727,506 1.081,507 1.153,508 0.93,509 0.973,510 0.878,511 0.736,512 0.881,513 0.84,514 1.244,515 1.063,516 1.235,517 0.916,518 1.187,519 0.961,520 1.051,521 0.988,522 1.046,523 1.134,524 1.024,525 0.994,526 0.917,527 0.968,528 0.927,529 1.046,530 0.942,531 0.871,532 1.091,533 1.05,534 1.108,535 1.104,536 1.105,537 0.91,538 0.949,539 1.033,540 0.967,541 1.343,542 1.013,543 0.911,544 1.011,545 0.885,546 0.999,547 0.95,548 0.95,549 7,550 0.237,551 4,552 2.889,553 2.254,554 1.296,555 0.838,556 0.517,557 0.376,558 0.176,559 12122,560 26925,561 2.059,562 51.6,563 2,564 23,567 1,568 1,569 5,572 1.726,573 1.905,574 3.589,575 -0.415,577 1,582 85.064,583 1.372,584 3.352,585 4.718,586 5.002,587 5.079,588 5.111,589 3.086,590 4.415,591 4.875,592 3.752,593 1632.04,594 8.493,595 22651.2,597 1,600 369.16,601 1.615,602 4.82,603 0.212,604 0.01,605 0.083,606 0.057,607 0.049,608 0.03,609 0.022,610 0.017,611 0.013,612 0.007,613 0.5,614 0.5,615 1,616 0.855,617 154.775,618 -0.016,619 -0.14,620 0.062,621 -0.046,622 -0.037,623 0.007,624 -0.139,625 0.221,626 0.021,627 0.17,628 -0.032,629 0.132,630 0.032,631 -0.165,632 -0.098,633 -0.179,634 0.006,635 -0.159,636 0.017,637 -0.078,638 -0.005,639 -0.067,640 0.054,641 -0.043,642 0.023,643 0.041,644 0.022,645 0.037,646 -0.007,647 0.03,648 0.016,649 -0.108,650 -0.081,651 -0.116,652 -0.014,653 -0.113,654 0.095,655 -0.011,656 -0.046,657 -0.018,658 -0.038,659 -0.049,660 0.008,661 -0.074,662 0.09,663 -0.032,664 0.037,665 0.03,666 1.938,667 6.057,668 0.7,669 32.173,670 0.994,671 1.125,672 -0.748,673 0.559,674 0.639,675 3.526,676 3.892,677 4.19,678 4.454,679 4.7,680 4.804,681 4.934,682 5.069,683 5.075,684 5.112,685 7.178,686 0.598,687 410.58,688 3.526,689 5.094,690 5.964,691 6.866,692 7.754,693 8.662,694 9.558,695 10.469,696 11.369,697 12.283,698 1.6,712 1,715 7,720 5,722 12,727 1,739 2,741 62,743 13,744 2,745 33,747 65,748 25,749 12,750 5,751 7,752 1,756 4,757 5,767 3,768 2,770 4,772 13,773 12,774 2,777 1,782 1,786 1,790 1,793 32,794 4,795 1,796 5,802 1,803 1,807 1,808 0.75,809 4,811 1,828 1,829 3,832 1,857 1,859 3,864 3,868 30,875 1,876 6,878 2,880 3,883 1,893 6.5,894 1,896 1,898 2,901 15.75,902 11.783,903 6.625,904 3.838,907 2.066,908 1.264,909 0.915,910 6.08,911 9.888,912 3.714,913 4.263,914 4.779,915 5.27,916 5.759,917 5.907,918 6.143,919 6.325,920 6.339,921 6.36,922 1,923 51,924 11.233,926 4.88,927 0.026,929 7.65,931 21.887,933 18.784,936 2.15,937 64.5,941 364.904,942 135.594,945 89.828,948 135.594,949 454.732,951 30.162,952 13.921,953 109.017,954 30.278,955 42.043,957 364.904,959 364.904,960 135.594,961 89.828,964 306.049,965 106,966 42.683,968 13.921,969 121.673,972 364.904,973 89.828,974 135.594,977 364.904,978 39.098,979 96.496,981 89.828,982 364.904,983 89.828,984 135.594,986 0.588,987 0.358,988 0.19,989 0.105,990 24,991 11,992 0.092,993 6,994 1,995 1.095,996 4.075,997 272.162,998 0.095,999 21,1000 139.207,1005 21.203,1006 8.602,1007 4.244,1009 89.828,1010 14.235,1015 4.153,1017 42.683,1018 590.326,1019 40,1024 13.057,1028 0.033,1031 61.607,1032 69.772,1034 0.23,1035 0.563,1036 0.792,1037 0.84,1038 0.853,1039 0.858,1040 4.997,1041 1.442,1042 5.994,1043 5.475,1044 4.575,1045 4.949,1046 2.271,1047 6.876,1048 4.512,1049 6.199,1050 1.374,1051 7.606,1052 3.641,1053 4.369,1054 4.808,1055 0.931,1056 8.082,1057 4.25,1058 7.524,1059 1,1060 9.324,1061 3.076,1062 6.286,1063 7.052,1064 2.428,1065 11.12,1066 6.158,1067 8.88,1068 1,1069 11.104,1070 2.372,1071 6.889,1072 7.68,1073 1.381,1074 13.103,1075 6.696,1076 10.268,1077 0.921,1078 12.923,1079 2.354,1080 8.316,1081 9.457,1082 2.737,1083 15.724,1084 8.114,1085 11.676,1086 0.47,1087 14.767,1088 2.136,1089 9.253,1090 10.437,1091 1.783,1092 17.992,1093 8.995,1094 13.099,1095 0.362,1096 16.629,1097 0.946,1098 10.511,1099 12.025,1100 3.126,1101 20.493,1102 10.237,1103 3.322,1104 0.055,1105 18.504,1106 0.491,1107 11.589,1108 13.192,1109 2.192,1110 22.872,1111 11.271,1112 3.255,1113 11.922,1114 20.39,1115 0.146,1116 12.791,1117 14.691,1118 3.559,1119 25.337,1120 12.452,1121 2.856,1122 11.301,1123 22.283,1124 4.176,1125 13.928,1126 15.964,1127 2.615,1128 27.761,1129 13.554,1130 2.557,1131 9.454,1132 24.183,1133 3.532,1134 15.113,1135 17.421,1136 4.015,1137 30.218,1138 14.717,1139 2.4,1140 8.397,1141 26.088,1142 3.411,1143 16.276,1144 18.756,1145 3.05,1146 32.661,1147 15.852,1148 1.936,1149 6.801,1150 27.997,1151 3.165,1152 17.458,1153 20.193,1154 4.483,1155 35.118,1156 17.012,1157 1.81,1158 6.244,1159 29.91,1160 2.799,1161 18.633,1162 21.565,1163 3.495,1164 37.57,1165 18.164,1166 11579,1167 17391,1168 21.671,1169 39.625,1170 49.836,1171 51.308,1172 52.539,1173 49.478,1174 49.523,1175 59.432,1176 9.005,1177 149.513,1178 47.856,1179 5.545,1180 5.827,1181 6.803,1182 5.323,1183 5.322,1184 7.176,1185 2.555,1186 19.46,1187 5.283,1188 15.904,1189 1.51,1190 1.555,1191 1.592,1192 1.499,1193 1.501,1194 1.801,1195 0.273,1196 4.531,1197 1.45,1198 4.078,1199 4.112,1200 4.019,1201 3.989,1202 7.427,1203 3.992,1204 3.977,1205 4.012,1206 3.899,1207 3.878,1208 6.448,1209 3.876,1210 3.83,1211 3.871,1212 3.735,1213 3.727,1214 4.915,1215 3.723,1216 3.601,1217 3.634,1218 3.517,1219 3.426,1220 4.756,1221 3.441,1222 3.382,1223 3.438,1224 3.252,1225 3.186,1226 4.495,1227 3.192,1228 3.25,1229 3.315,1230 3.063,1231 2.963,1232 4.355,1233 2.973,1234 3.12,1235 3.206,1236 2.921,1237 2.941,1238 4.288,1239 2.91,1240 3.111,1241 3.199,1242 2.866,1243 2.898,1244 3.858,1245 2.892,1246 0.138,1247 0.116,1248 0.212,1249 0.13,1250 0.101,1251 4.545,1252 0.127,1253 3.827,1254 0.039,1255 7.001,1256 0.361,1257 4.287,1258 0.099,1259 3.322,1260 4.176,1261 1.277,1262 11.922,1263 3.283,1264 1.971,1265 1.925,1266 2.139,1267 2.139,1268 1.538,1269 2.144,1270 1.881,1271 1.872,1272 2.009,1273 1.978,1274 1.246,1275 1.977,1276 1.853,1277 1.814,1278 1.956,1279 1.957,1280 1.147,1281 1.967,1282 1.615,1283 1.57,1284 1.802,1285 1.803,1286 1.052,1287 1.804,1288 1.331,1289 1.263,1290 1.616,1291 1.545,1292 0.86,1293 1.571,1294 1.232,1295 1.184,1296 1.574,1297 1.521,1298 0.825,1299 1.537,1300 1.186,1301 1.107,1302 1.56,1303 1.513,1304 0.586,1305 1.527,1306 1.153,1307 1.064,1308 1.513,1309 1.376,1310 0.574,1311 1.429,1312 4.205,1314 5.557,1315 2.398,1316 7.111,1317 4.844,1318 8.749,1319 7.034,1320 10.432,1322 5.466,1327 11.139,1328 5.506,1330 10.731,1332 -0.806,1335 0.987,1340 37.046,1341 85.064,1342 207.818,1343 292.489,1344 310.141,1345 314.896,1346 316.896,1347 67.711,1348 7.822,1349 55.76,1350 55.76,1351 23,1352 12.798,1353 3.807,1354 3,1355 47.238,1356 129,1357 132,1358 0.18,1359 224.757,1360 398.82,1361 540.166,1362 27212,1364 21.303,1365 0.71,1366 0.606,1367 21.303,1368 18.188,1369 14.437,1370 0.437,1371 0.332,1372 10.783,1373 13.87,1374 10.452,1375 8.673,1376 14.437,1377 10.95,1378 13.206,1379 0.275,1380 0.195,1381 13.206,1382 9.34,1383 11.589,1384 0.178,1385 0.112,1386 11.589,1387 7.258,1388 9.486,1389 0.112,1390 0.063,1391 9.486,1392 5.397,1393 7.69,1394 0.071,1395 0.038,1396 7.69,1397 4.143,1398 0.284,1399 90.787,1400 0.215,1401 28.445,1402 0.485,1403 162,1404 407.689,1405 174.407,1406 385.439,1407 522.05,1408 362,1409 194,1410 371.972,1411 208.572,1412 380.943,1413 556.53,1414 355,1415 6.051}
{0 CHEMBL87632,1 1.377,2 12.464,3 4.349,4 18.909,5 110.075,6 7.202,7 0.581,8 4.038,9 4.142,10 3.588,11 3.619,12 5.114,13 3.588,14 4.579,15 4.737,16 3.92,17 4.016,18 5.564,19 3.967,20 4.797,21 4.968,22 4.001,23 4.165,24 5.812,25 4.081,26 4.912,27 5.127,28 3.894,29 4.141,30 5.875,31 4.029,32 4.873,33 5.098,34 3.857,35 4.074,36 5.854,37 3.97,38 4.784,39 5.005,40 3.73,41 4.017,42 5.782,43 3.89,44 4.728,45 4.984,46 3.504,47 3.857,48 5.625,49 3.709,50 4.484,51 4.732,52 3.365,53 3.667,54 5.349,55 3.53,56 0.017,57 0.667,58 10.787,59 5.126,60 8.244,61 6.519,62 0.189,63 1.117,64 20.528,65 8.449,66 20.788,67 10.82,68 0.242,69 1.369,70 25.659,71 10.971,72 28.747,73 14.382,74 0.244,75 1.497,76 30.511,77 12.222,78 45.022,79 16.252,80 0.414,81 1.423,82 30.173,83 11.472,84 50.199,85 15.244,86 0.322,87 1.315,88 26.973,89 10.848,90 46.8,91 14.585,92 0.339,93 1.226,94 26.718,95 10.066,96 46.306,97 13.745,98 0.142,99 0.965,100 20.299,101 8.174,102 28.845,103 11.208,104 14,105 43,106 0.229,107 0.533,108 0.708,109 0.792,110 0.82,111 0.827,112 3.374,113 0.928,114 -4.52,115 -4.44,116 -4.19,121 46.2,123 2,124 1,126 2,127 1,144 9,145 4,146 2,147 2,159 1,176 15,180 4,187 17,189 3,191 1,192 8,200 12,203 3,206 5,214 8,216 3,218 1,219 5,227 11,229 2,231 1,232 2,239 11,241 1,244 2,246 1,251 7,253 2,256 4,264 6,266 2,269 1,277 7,281 1222,282 19.342,283 19.342,284 19.342,285 19.342,286 19.342,287 17.076,288 24.608,289 11.379,290 19.77,291 15.198,292 15.198,293 15.198,294 15.198,295 15.198,296 11.649,297 30.121,298 5.286,299 15.672,300 4.324,301 2.489,302 1.438,303 0.928,304 0.76,305 0.721,306 4.073,311 1,312 1,313 759,314 2.915,317 64.284,318 273.802,321 122.054,325 2.036,326 21.034,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 59.5,338 349,339 4.529,340 3.797,341 6.724,342 4.227,343 3.222,344 4.173,345 1.277,346 10.926,347 3.24,348 4.102,349 3.185,350 6.107,351 3.734,352 2.772,353 3.681,354 0.86,355 8.884,356 2.669,357 4.005,358 2.932,359 5.642,360 3.649,361 2.69,362 3.426,363 0.86,364 7.815,365 2.579,366 3.849,367 2.696,368 5.522,369 3.45,370 2.457,371 3.364,372 0.522,373 7.28,374 2.432,375 3.461,376 2.555,377 5.236,378 3.084,379 2.124,380 2.758,382 6.315,383 2.031,384 3.276,385 2.237,386 4.977,387 2.904,388 1.909,389 2.494,391 5.772,392 1.89,393 3.046,394 2.194,395 4.845,396 2.74,397 1.768,398 2.183,400 5.339,401 1.718,402 2.862,403 1.827,404 4.248,405 2.411,406 1.418,407 2.016,409 3.522,410 1.407,411 2.545,412 1.496,413 3.593,414 2.273,415 1.334,416 1.503,418 3.037,419 1.234,420 2.5,421 1.284,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1.013,431 3.277,432 1.984,433 1,434 1.5,436 2.136,437 0.983,438 1.92,439 1,440 3.247,441 1.555,442 0.591,443 0.737,445 1.256,446 0.559,447 1.517,448 1,449 2.972,450 1.263,451 0.376,452 0.41,454 0.663,455 0.322,456 1.461,457 0.545,458 2.793,459 1.195,460 0.259,461 0.303,463 0.477,464 0.246,465 1.155,466 0.455,467 2.693,468 0.879,469 -0.101,470 -0.121,472 -0.239,473 -0.098,474 13.4,475 0.479,476 0.585,477 0.021,478 37,479 1.321,480 19.5,481 0.696,482 17.5,483 0.625,484 21.98,485 0.785,486 29.5,487 0.567,488 27.104,489 0.968,490 7.508,491 0.268,492 6.165,493 0.22,494 0.1,496 0.328,501 0.753,502 1.203,503 0.792,504 1.082,505 0.584,506 0.964,507 1.203,508 0.909,509 0.938,510 0.853,511 0.773,512 0.852,513 0.837,514 1.188,515 1.034,516 1.175,517 0.984,518 1.137,519 1.052,520 1.118,521 1.062,522 1.11,523 1.363,524 1.091,525 1.149,526 0.913,527 1.005,528 0.915,529 0.979,530 0.934,531 0.881,532 1.062,533 1.065,534 1.078,535 1.059,536 1.094,537 1.044,538 0.904,539 1.034,540 0.911,541 1.4,542 0.963,543 0.777,544 1.052,545 0.925,546 1.042,547 1.055,548 1.012,549 5.5,550 0.172,551 2.667,552 2.076,553 1.578,554 0.997,555 0.579,556 0.298,557 0.246,558 0.117,559 10824,560 25736,561 2.115,562 46.2,563 4,564 17,566 2,568 1,572 1.705,573 2,574 3.592,575 -0.848,577 1,582 71.59,583 1.377,584 3.211,585 4.262,586 4.772,587 4.941,588 4.979,589 3.101,590 4.45,591 4.776,592 3.771,593 1425.27,594 8.278,595 19311.7,597 1,599 1,600 296.423,601 1.333,602 4.748,603 0.177,604 0.008,605 0.062,606 0.047,607 0.042,608 0.027,609 0.018,610 0.012,611 0.011,612 0.005,613 0.41,614 0.33,615 1,616 0.789,617 142.641,618 0.011,619 -0.122,620 0.068,621 -0.056,622 -0.001,623 0.002,624 -0.143,625 0.151,626 0.002,627 0.135,628 -0.062,629 0.098,630 0.069,631 -0.171,632 -0.105,633 -0.177,634 -0.012,635 -0.166,636 -0.065,637 -0.137,638 -0.087,639 -0.129,640 -0.106,641 -0.114,642 -0.001,643 0.069,644 -0.001,645 0.054,646 0.05,647 0.033,648 0.045,649 -0.085,650 -0.095,651 -0.094,652 0.066,653 -0.11,654 -0.042,655 0.06,656 -0.024,657 0.055,658 -0.088,659 0.021,660 0.02,661 -0.099,662 0.053,663 -0.055,664 -0.034,665 -0.007,666 1.475,667 5.875,668 0.75,669 30.378,670 0.995,671 1.113,672 3.289,673 10.817,674 0.675,675 3.466,676 3.784,677 4.078,678 4.344,679 4.585,680 4.644,681 4.804,682 4.92,683 4.927,684 4.984,685 7.272,686 0.639,687 374.49,688 3.466,689 5.004,690 5.861,691 6.739,692 7.614,693 8.5,694 9.383,695 10.273,696 11.162,697 12.056,698 1.9,708 1,715 11,720 6,721 1,722 18,727 1,739 2,741 52,743 19,744 2,745 31,747 55,748 24,749 17,750 5,751 7,752 1,756 4,757 5,767 1,768 1,770 2,772 18,773 6,774 1,777 1,782 1,786 1,790 1,793 24,794 3,796 4,802 1,803 1,808 0.75,809 3,822 1,828 1,829 3,832 1,859 3,864 2,868 28,876 3,878 2,880 1,893 5.8,896 1,898 2,901 14,902 10,903 6.278,904 3.063,907 3.286,908 1.425,909 0.986,910 5.447,911 11.021,912 3.738,913 4.324,914 4.892,915 5.427,916 5.97,917 6.106,918 6.423,919 6.736,920 6.975,921 7.279,922 1,923 44,924 10.37,926 4.388,927 0.026,929 7.625,931 20.084,933 16.618,936 2.125,937 59.5,939 1,940 1,941 282.506,942 160.685,943 1.899,945 47.145,948 160.685,949 329.651,950 1.899,951 21.766,952 7.175,953 85.286,954 55.72,955 63.324,957 258.964,959 282.506,960 162.584,961 47.145,964 282.506,965 47.145,968 25.27,969 135.415,970 1.899,972 282.506,973 49.044,974 160.685,977 282.506,978 35.537,979 127.046,981 47.145,982 282.506,983 49.044,984 160.685,986 0.574,987 0.347,988 0.19,989 0.106,990 21,991 9,992 0.109,993 6,994 1,995 1.095,996 4.066,997 240.338,998 0.095,999 21,1000 126.606,1005 18.702,1006 8.155,1007 3.978,1009 47.145,1010 22.521,1015 5.535,1016 2.153,1018 492.235,1019 41,1024 12.875,1028 0.192,1031 51.745,1032 57.901,1034 0.242,1035 0.563,1036 0.748,1037 0.837,1038 0.867,1039 0.873,1040 4.966,1041 1.418,1042 5.838,1043 5.339,1044 4.466,1045 5.011,1046 2.05,1047 6.645,1048 4.419,1049 6.163,1050 1.334,1051 7.392,1052 3.522,1053 4.007,1054 4.732,1056 7.513,1057 3.955,1058 7.463,1059 1,1060 9.043,1061 3.037,1062 6.057,1063 7.167,1064 2.159,1065 10.615,1066 5.982,1067 8.798,1068 1,1069 10.752,1070 2.275,1071 6.431,1072 7.682,1074 12.316,1075 6.358,1076 10.163,1077 0.591,1078 12.498,1079 2.136,1080 7.928,1081 9.587,1082 2.429,1083 14.934,1084 7.843,1085 11.55,1086 0.376,1087 14.269,1088 1.256,1089 8.698,1090 10.487,1092 17.006,1093 8.622,1094 12.954,1095 0.259,1096 16.061,1097 0.663,1098 9.972,1099 12.153,1100 2.797,1101 19.46,1102 9.893,1103 3.222,1104 -0.101,1105 17.867,1106 0.477,1107 10.937,1108 13.265,1110 21.702,1111 10.871,1112 2.772,1113 10.926,1114 19.687,1115 -0.239,1116 12.123,1117 14.808,1118 3.221,1119 24.103,1120 12.061,1121 2.69,1122 8.884,1123 21.518,1124 4.173,1125 13.182,1126 16.044,1128 26.422,1129 13.136,1130 2.457,1131 7.815,1132 23.358,1133 3.681,1134 14.337,1135 17.523,1136 3.675,1137 28.808,1138 14.3,1139 2.124,1140 7.28,1141 25.206,1142 3.426,1143 15.444,1144 18.833,1146 31.163,1147 15.422,1148 1.909,1149 6.315,1150 27.062,1151 3.364,1152 16.592,1153 20.279,1154 4.146,1155 33.546,1156 16.581,1157 1.768,1158 5.772,1159 28.923,1160 2.758,1161 17.723,1162 21.633,1164 35.918,1165 17.727,1166 10236,1167 15892,1168 20.978,1169 35.125,1170 46.116,1171 47.762,1172 47.516,1173 45.747,1174 45.84,1175 60.093,1176 7.038,1177 131.39,1178 44.618,1179 5.421,1180 5.797,1181 6.526,1182 5.262,1183 5.222,1184 7.173,1185 2.555,1186 18.021,1187 5.24,1188 12.089,1189 1.488,1190 1.541,1191 1.533,1192 1.476,1193 1.479,1194 1.938,1195 0.227,1196 4.238,1197 1.439,1198 4.075,1199 4.102,1200 4.023,1201 3.995,1202 7.426,1203 3.998,1204 3.97,1205 4,1206 3.913,1207 3.882,1208 4.918,1209 3.883,1210 3.831,1211 3.865,1212 3.759,1213 3.758,1214 4.818,1215 3.755,1216 3.562,1217 3.59,1218 3.484,1219 3.398,1220 4.69,1221 3.412,1222 3.253,1223 3.316,1224 3.124,1225 3.077,1226 4.495,1227 3.08,1228 3.25,1229 3.315,1230 3.062,1231 2.963,1232 4.303,1233 2.973,1234 3.084,1235 3.16,1236 2.893,1237 2.887,1238 3.933,1239 2.876,1240 2.954,1241 2.996,1242 2.814,1243 2.777,1244 3.696,1245 2.771,1246 0.146,1247 0.122,1248 0.217,1249 0.136,1250 0.104,1251 4.529,1252 0.135,1253 3.797,1254 0.041,1255 6.724,1256 0.352,1257 4.227,1258 0.105,1259 3.222,1260 4.173,1261 1.277,1262 10.926,1263 3.24,1264 1.971,1265 1.934,1266 2.092,1267 2.101,1268 1.312,1269 2.1,1270 1.881,1271 1.872,1272 1.992,1273 1.978,1274 1.189,1275 1.97,1276 1.854,1277 1.823,1278 1.953,1279 1.942,1280 1.115,1281 1.959,1282 1.58,1283 1.537,1284 1.762,1285 1.747,1286 0.947,1287 1.754,1288 1.234,1289 1.185,1290 1.575,1291 1.522,1292 0.654,1293 1.538,1294 1.2,1295 1.137,1296 1.567,1297 1.52,1298 0.579,1299 1.533,1300 1.173,1301 1.099,1302 1.435,1303 1.365,1304 0.574,1305 1.39,1306 0.886,1307 0.821,1308 1.211,1309 1.088,1310 0.41,1311 1.135,1312 4.143,1314 5.46,1315 2.398,1316 6.976,1317 4.844,1318 8.58,1319 7.018,1320 10.229,1322 3.211,1328 2.326,1330 10.719,1332 -0.031,1340 33.224,1341 71.59,1342 166.979,1343 221.629,1344 248.158,1345 256.913,1346 258.913,1347 45.885,1348 7.735,1349 39.41,1350 39.41,1351 23,1352 12.583,1353 4.322,1354 3.459,1355 42.739,1356 123,1357 122,1358 0.17,1359 202.386,1360 353.91,1361 485.581,1362 25383,1364 19.51,1365 0.697,1366 0.581,1367 19.51,1368 16.274,1369 13.673,1370 0.441,1371 0.309,1372 9.457,1373 13.201,1374 9.167,1375 7.632,1376 13.673,1377 9.585,1378 11.949,1379 0.278,1380 0.17,1381 11.949,1382 7.313,1383 10.52,1384 0.181,1385 0.094,1386 10.52,1387 5.468,1388 8.695,1389 0.114,1390 0.052,1391 8.695,1392 3.972,1393 7.231,1394 0.075,1395 0.029,1396 7.231,1397 2.836,1398 0.273,1399 85.461,1400 0.218,1401 27.153,1402 0.45,1403 148,1404 395.539,1405 157.942,1406 379.571,1407 520.75,1408 358,1409 175,1410 376.981,1411 186.08,1412 387.714,1413 562.24,1414 362,1415 7}
{0 CHEMBL87649,1 1.576,2 13.379,3 5.043,4 25.43,5 120.981,6 8.325,7 0.656,8 4.028,9 4.114,10 3.777,11 3.692,12 5.119,13 3.621,14 4.546,15 4.686,16 4.115,17 4.076,18 5.56,19 3.984,20 4.696,21 4.845,22 4.111,23 4.141,24 5.746,25 4.028,26 4.798,27 4.985,28 4.034,29 4.128,30 5.788,31 3.996,32 4.777,33 4.989,34 3.992,35 4.075,36 5.757,37 3.938,38 4.668,39 4.861,40 3.881,41 4.03,42 5.682,43 3.858,44 4.591,45 4.816,46 3.692,47 3.874,48 5.571,49 3.681,50 4.352,51 4.552,52 3.562,53 3.676,54 5.31,55 3.555,56 0.001,57 0.645,58 9.835,59 5.168,60 6.844,61 6.015,62 0.193,63 1.112,64 22.075,65 9.177,66 17.938,67 10.057,68 0.266,69 1.267,70 25.751,71 10.842,72 29.232,73 12.38,74 0.233,75 1.42,76 32.285,77 12.463,78 33.268,79 14.364,80 0.286,81 1.366,82 31.238,83 12.16,84 35.973,85 14.215,86 0.193,87 1.253,88 29.405,89 11.659,90 34.794,91 13.229,92 0.425,93 1.167,94 31.032,95 11.43,96 45.861,97 13.329,98 0.15,99 0.888,100 19.591,101 7.738,102 19.7,103 9.315,104 14,105 44,106 0.261,107 0.59,108 0.761,109 0.831,110 0.838,111 0.844,112 3.407,113 1.05,114 -4.31,115 -4.24,116 -4.01,121 45.1,123 2,126 2,127 1,144 6,145 3,146 2,147 2,153 2,154 2,159 1,176 7,180 3,187 11,189 3,191 1,192 6,200 7,203 2,206 5,214 5,216 2,219 6,227 8,229 1,239 11,243 2,244 2,246 1,251 7,256 2,264 6,266 2,269 3,277 1,279 1,281 1405,282 19.997,283 19.997,284 19.997,285 19.997,286 19.997,287 17.45,288 21.325,289 11.763,290 20.792,291 15.691,292 15.691,293 15.691,294 15.691,295 15.691,296 11.662,297 25.363,298 5.466,299 16.765,300 4.096,301 2.113,302 1.079,303 0.657,304 0.618,305 0.579,306 4.104,311 1,312 1,313 846,314 3.464,317 166.038,318 192.085,321 133.703,325 2.185,326 20.664,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 61.5,338 388,339 4.565,340 3.615,341 6.437,342 4.067,343 3.12,344 4.502,345 1.277,346 10.099,347 2.95,348 4.105,349 3.241,350 6.068,351 3.727,352 2.761,353 3.684,354 0.86,355 8.762,356 2.676,357 4.07,358 2.936,359 5.709,360 3.666,361 2.715,362 3.573,363 0.86,364 7.8,365 2.584,366 3.875,367 2.723,368 5.617,369 3.46,370 2.487,371 3.436,372 0.522,373 7.463,374 2.416,375 3.696,376 2.665,377 5.331,378 3.282,379 2.309,380 3.045,382 6.926,383 2.221,384 3.42,385 2.215,386 4.961,387 2.996,388 2.061,389 2.721,391 5.884,392 1.916,393 3.178,394 2.212,395 4.717,396 2.698,397 1.771,398 2.471,400 5.118,401 1.628,402 2.703,403 1.653,404 4.114,405 2.248,406 1.292,407 1.717,409 3.486,410 1.213,411 2.586,412 1.427,413 3.943,414 2.013,415 1.16,416 1.615,418 2.841,419 0.983,420 2.5,421 1.32,422 3.434,423 1.984,424 1.136,425 1.5,427 2.571,428 0.965,429 2.399,430 1.077,431 3.414,432 1.982,433 1,434 1.376,436 2.275,437 0.943,438 2.118,439 1,440 3.065,441 1.539,442 0.618,443 0.927,445 1.372,446 0.536,447 1.839,448 1,449 3,450 1.5,451 0.529,452 0.65,454 1.218,455 0.52,456 1.554,457 0.618,458 2.887,459 1.208,460 0.357,461 0.391,463 0.485,464 0.301,465 1.485,466 0.518,467 2.748,468 1.121,469 0.241,470 0.311,472 0.458,473 0.209,474 14.567,475 0.502,476 0.601,477 0.021,478 37.5,479 1.293,480 19.5,481 0.672,482 18,483 0.621,484 24.628,485 0.849,486 30.133,487 0.591,488 26.018,489 0.897,490 7.28,491 0.251,492 6.876,493 0.237,494 0.092,496 0.302,501 0.759,502 1.079,503 0.715,504 0.887,505 0.585,506 0.876,507 1.244,508 0.827,509 0.935,510 0.796,511 0.768,512 0.776,513 0.926,514 1.129,515 0.995,516 1.082,517 1.095,518 1.099,519 1.009,520 1.163,521 1.048,522 1.144,523 1.208,524 1.114,525 1.091,526 0.882,527 0.848,528 0.865,529 0.879,530 0.91,531 0.972,532 1.076,533 1.175,534 1.135,535 1.548,536 1.128,537 0.489,538 0.982,539 1.166,540 1.12,541 0.873,542 1.031,543 0.982,544 1.019,545 0.849,546 0.942,547 0.938,548 0.972,549 6,550 0.18,551 2.889,552 1.639,553 1.627,554 0.869,555 0.591,556 0.38,557 0.166,558 0.141,559 12686,560 34683,561 2.111,562 43.1,563 2,564 14,565 2,566 2,568 2,572 1.712,573 2,574 3.703,575 -0.785,582 80.389,583 1.576,584 3.56,585 4.594,586 5.015,587 5.055,588 5.094,589 3.125,590 4.073,591 4.828,592 3.899,593 1583.08,594 8.369,595 22747.3,597 1,600 289.294,601 1.314,602 4.8,603 0.188,604 0.008,605 0.066,606 0.039,607 0.043,608 0.024,609 0.019,610 0.015,611 0.007,612 0.006,613 0.414,614 0.17,615 1,616 0.772,617 151.18,618 -0.001,619 -0.084,620 0.078,621 0.013,622 -0.014,623 0.015,624 -0.169,625 0.205,626 0.016,627 0.172,628 -0.05,629 0.144,630 0.052,631 -0.146,632 -0.099,633 -0.144,634 -0.043,635 -0.167,636 -0.041,637 -0.187,638 -0.1,639 -0.184,640 -0.091,641 -0.147,642 -0.057,643 0.077,644 0.062,645 0.066,646 0.058,647 0.069,648 -0.091,649 -0.093,650 -0.129,651 -0.104,652 -0.102,653 -0.132,654 0.34,655 -0.001,656 -0.042,657 -0.045,658 0.235,659 0.008,660 -0.034,661 -0.078,662 0.003,663 -0.04,664 0.031,666 1.501,667 5.719,668 0.69,669 33.353,670 1,671 1.104,672 3.078,673 9.473,674 0.719,675 3.497,676 3.807,677 4.078,678 4.317,679 4.5,680 4.585,681 4.691,682 4.804,683 4.754,684 4.7,685 7.924,686 0.668,687 424.6,688 3.497,689 5.03,690 5.878,691 6.746,692 7.61,693 8.483,694 9.354,695 10.23,696 11.105,697 11.983,698 2,708 1,714 2,715 10,719 2,720 5,721 1,722 21,727 1,739 2,741 51,743 22,744 1,745 32,747 54,748 23,749 17,750 4,751 2,752 1,756 4,757 5,770 2,772 18,773 5,777 1,782 1,786 1,793 22,794 3,796 6,797 2,802 1,803 1,808 0.75,809 3,822 1,828 2,829 2,832 1,859 3,862 2,864 2,868 29,876 3,878 2,888 2,893 5.9,896 1,898 2,901 14.5,902 9.917,903 6.5,904 2.924,907 3.715,908 1.484,909 1,910 6.482,911 11.388,912 3.795,913 4.419,914 5.024,915 5.613,916 6.103,917 6.442,918 6.811,919 7.192,920 7.229,921 7.286,922 0.889,923 42,924 10.724,926 4.495,927 0.026,929 7.621,931 20.763,933 16.984,936 2.121,937 61.5,940 1,941 258.964,942 208.415,943 1.899,945 47.145,947 62.555,948 145.86,949 306.109,950 1.899,951 21.766,952 7.175,953 72.156,954 55.72,955 59.526,956 25.646,957 274.435,959 258.964,960 147.759,961 47.145,962 62.555,964 258.964,965 47.145,968 25.27,969 120.59,970 1.899,971 62.555,972 258.964,973 49.044,974 208.415,977 258.964,978 96.399,979 113.916,981 47.145,982 258.964,983 49.044,984 208.415,986 0.574,987 0.343,988 0.183,989 0.096,990 21,991 9,992 0.148,993 8,994 1,995 1.1,996 4.235,997 245.298,998 0.1,999 20,1000 136.881,1001 2,1005 20.33,1006 9.246,1007 4.797,1008 2.033,1009 47.145,1010 20.547,1014 3.218,1015 4.613,1016 2.153,1018 516.423,1019 43.5,1024 12.719,1028 0.166,1031 51.014,1032 56.326,1034 0.278,1035 0.628,1036 0.81,1037 0.884,1038 0.891,1039 0.898,1040 5.012,1041 1.292,1042 5.849,1043 5.118,1044 4.489,1045 5.106,1046 2.05,1047 6.632,1048 4.374,1049 6.222,1050 1.16,1051 7.39,1052 3.486,1053 4.007,1054 4.902,1056 7.445,1057 3.883,1058 7.529,1059 1.136,1060 9.023,1061 2.841,1062 6.061,1063 7.343,1064 2.159,1065 10.508,1066 5.865,1067 8.873,1068 1,1069 10.712,1070 2.571,1071 6.415,1072 7.993,1074 12.127,1075 6.184,1076 10.248,1077 0.618,1078 12.434,1079 2.275,1080 7.894,1081 9.864,1082 2.429,1083 14.684,1084 7.614,1085 11.643,1086 0.529,1087 14.179,1088 1.372,1089 8.628,1090 10.919,1092 16.651,1093 8.295,1094 13.055,1095 0.357,1096 15.94,1097 1.218,1098 9.878,1099 12.561,1100 2.797,1101 19.033,1102 9.504,1103 3.12,1104 0.241,1105 17.714,1106 0.485,1107 10.798,1108 13.827,1110 21.166,1111 10.362,1112 2.761,1113 10.099,1114 19.498,1115 0.458,1116 11.954,1117 15.373,1118 3.221,1119 23.484,1120 11.475,1121 2.715,1122 8.762,1123 21.29,1124 4.502,1125 12.968,1126 16.751,1128 25.699,1129 12.425,1130 2.487,1131 7.8,1132 23.089,1133 3.684,1134 14.089,1135 18.259,1136 3.675,1137 27.997,1138 13.499,1139 2.309,1140 7.463,1141 24.893,1142 3.573,1143 15.151,1144 19.695,1146 30.254,1147 14.497,1148 2.061,1149 6.926,1150 26.703,1151 3.436,1152 16.262,1153 21.192,1154 4.146,1155 32.549,1156 15.556,1157 1.771,1158 5.884,1159 28.517,1160 3.045,1161 17.35,1162 22.659,1164 34.827,1165 16.582,1166 11931,1167 19866,1168 21.671,1169 36.659,1170 47.404,1171 48.838,1172 48.39,1173 46.951,1174 47.116,1175 63.84,1176 7.038,1177 133.517,1178 44.12,1179 5.441,1180 5.615,1181 6.051,1182 5.184,1183 5.12,1184 7.502,1185 2.555,1186 16.854,1187 4.95,1188 12.491,1189 1.481,1190 1.526,1191 1.512,1192 1.467,1193 1.472,1194 1.995,1195 0.22,1196 4.172,1197 1.379,1198 4.098,1199 4.102,1200 4.34,1201 4.112,1202 7.427,1203 4.062,1204 3.995,1205 4.03,1206 4.208,1207 3.942,1208 4.969,1209 3.903,1210 3.804,1211 3.819,1212 3.881,1213 3.796,1214 4.803,1215 3.752,1216 3.611,1217 3.63,1218 3.627,1219 3.482,1220 4.616,1221 3.483,1222 3.395,1223 3.434,1224 3.38,1225 3.243,1226 4.527,1227 3.227,1228 3.249,1229 3.314,1230 3.091,1231 2.967,1232 4.496,1233 2.97,1234 3.126,1235 3.183,1236 3.07,1237 2.947,1238 3.935,1239 2.936,1240 2.955,1241 3.031,1242 2.899,1243 2.801,1244 3.758,1245 2.762,1246 0.143,1247 0.113,1248 0.201,1249 0.127,1250 0.098,1251 4.565,1252 0.141,1253 3.615,1254 0.04,1255 6.437,1256 0.316,1257 4.067,1258 0.092,1259 3.12,1260 4.502,1261 1.277,1262 10.099,1263 2.95,1264 1.938,1265 1.904,1266 2.062,1267 2.08,1268 1.261,1269 2.078,1270 1.908,1271 1.896,1272 1.963,1273 1.987,1274 1.14,1275 1.983,1276 1.659,1277 1.638,1278 1.807,1279 1.796,1280 1.065,1281 1.808,1282 1.53,1283 1.508,1284 1.653,1285 1.621,1286 0.813,1287 1.64,1288 1.322,1289 1.324,1290 1.577,1291 1.526,1292 0.633,1293 1.542,1294 1.269,1295 1.226,1296 1.568,1297 1.51,1298 0.58,1299 1.531,1300 1.214,1301 1.17,1302 1.383,1303 1.37,1304 0.571,1305 1.434,1306 1.174,1307 1.098,1308 1.305,1309 1.294,1310 0.559,1311 1.383,1312 4.174,1314 5.485,1315 3.045,1316 6.978,1317 5.283,1318 8.555,1319 7.286,1320 10.179,1322 3.235,1328 2.103,1330 10.712,1340 34.071,1341 80.389,1342 181.545,1343 234.274,1344 255.784,1345 257.784,1346 259.784,1347 45.315,1348 7.673,1349 39.41,1350 95.89,1351 22,1352 12.521,1353 4.524,1354 3.644,1355 45.144,1356 139,1357 126,1358 0.156,1359 215.055,1360 362.73,1361 516.495,1362 24886,1364 20.217,1365 0.697,1366 0.623,1367 20.924,1368 18.069,1369 14.157,1370 0.442,1371 0.35,1372 9.463,1373 12.727,1374 9.007,1375 7.486,1376 15.065,1377 11.196,1378 12.387,1379 0.282,1380 0.199,1381 13.527,1382 8.768,1383 10.747,1384 0.185,1385 0.118,1386 12.117,1387 6.82,1388 8.671,1389 0.117,1390 0.068,1391 10.107,1392 5.047,1393 6.735,1394 0.076,1395 0.037,1396 7.814,1397 3.306,1398 0.255,1399 97.442,1400 0.215,1401 28.287,1402 0.402,1403 152,1404 431.26,1405 206.507,1406 454.067,1407 618.24,1408 428,1409 178,1410 414.781,1411 227.719,1412 453.718,1413 657.36,1414 423,1415 5.569}
{0 CHEMBL87823,1 1.271,2 14.5,3 4.019,4 16.151,5 121.687,6 6.494,7 0.515,8 4.186,9 4.31,10 3.647,11 3.762,12 5.149,13 3.704,14 4.772,15 4.962,16 3.991,17 4.192,18 5.633,19 4.107,20 5.097,21 5.316,22 4.054,23 4.409,24 5.933,25 4.27,26 5.26,27 5.537,28 3.919,29 4.397,30 6.005,31 4.209,32 5.174,33 5.464,34 3.866,35 4.293,36 5.921,37 4.115,38 5.037,39 5.294,40 3.773,41 4.207,42 5.881,43 4.039,44 4.975,45 5.246,46 3.602,47 4.119,48 5.755,49 3.923,50 4.846,51 5.135,52 3.538,53 3.975,54 5.599,55 3.785,56 0.059,57 0.817,58 14.437,59 6.348,60 9.561,61 8.708,62 0.207,63 1.414,64 26.767,65 10.596,66 17.58,67 14.838,68 0.238,69 1.873,70 36.954,71 15.377,72 32.648,73 21.47,74 0.308,75 2.091,76 43.895,77 17.698,78 44.615,79 25.136,80 0.285,81 1.903,82 40.379,83 16.098,84 39.953,85 22.949,86 0.282,87 1.665,88 35.256,89 14.111,90 43.462,91 19.705,92 0.291,93 1.554,94 33.015,95 13.508,96 39.681,97 19.018,98 0.271,99 1.366,100 28.891,101 11.875,102 34.416,103 16.975,104 11,105 46,106 0.204,107 0.498,108 0.724,109 0.832,110 0.845,111 0.845,112 3.44,113 1.018,114 -2.06,115 -2.11,116 -2.1,121 43.5,123 4,124 1,126 2,127 3,144 11,145 4,146 1,159 1,176 19,180 4,187 23,189 3,192 5,200 18,203 3,206 5,214 11,216 3,219 6,227 14,229 2,232 3,239 17,246 1,251 15,253 1,255 1,256 1,264 11,266 2,269 2,277 8,279 2,281 1492,282 20.386,283 20.386,284 20.386,285 20.386,286 20.386,287 18.304,288 18.591,289 11.982,290 20.672,291 16.221,292 16.221,293 16.221,294 16.221,295 16.221,296 13.041,297 21.118,298 5.645,299 16.585,300 4.684,301 2.856,302 1.449,303 0.778,304 0.702,305 0.702,306 4.138,311 1,312 1,313 948,314 3.606,318 399.474,322 152.888,325 2.233,326 17.666,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 62.5,338 435,339 4.464,340 3.679,341 6.998,342 4.22,343 3.303,344 4.388,345 1.277,346 11.915,347 3.036,348 4.326,349 3.604,350 6.273,351 4.006,352 3.005,353 3.532,354 1.26,355 9.517,356 3.01,357 4.014,358 3.002,359 5.923,360 3.675,361 2.665,362 3.468,363 0.86,364 8.266,365 2.689,366 3.807,367 2.606,368 5.349,369 3.456,370 2.458,371 3.16,372 0.245,373 6.968,374 2.453,375 3.576,376 2.587,377 5.251,378 3.318,379 2.332,380 2.926,382 6.679,383 2.296,384 3.377,385 2.38,386 5.216,387 3.151,388 2.197,389 2.427,391 6.468,392 2.081,393 3.118,394 1.848,395 4.442,396 2.618,397 1.618,398 2.401,400 4.418,401 1.618,402 2.876,403 1.618,404 4.166,405 2.458,406 1.451,407 2.026,409 3.738,410 1.458,411 2.841,412 1.534,413 3.802,414 2.424,415 1.414,416 1.897,418 3.072,419 1.423,420 2.5,421 1.117,422 3.709,423 2,424 1,425 1.5,427 2.372,428 1,429 2.22,430 1.094,431 3.331,432 1.984,433 1,434 1.092,436 2.136,437 0.983,438 2,439 1.077,440 3.282,441 1.755,442 0.77,443 1,445 1.775,446 0.755,447 1.801,448 1,449 3.247,450 1.639,451 0.638,452 0.705,454 1.436,455 0.631,456 1.646,457 0.695,458 3.04,459 1.33,460 0.427,461 0.501,463 0.713,464 0.383,465 1.216,466 0.39,467 2.809,468 1.036,469 0.05,470 0.055,472 0.126,473 0.049,474 14.567,475 0.486,476 0.714,477 0.024,478 36.25,479 1.208,480 18,481 0.6,482 18.25,483 0.608,484 27.873,485 0.929,486 32.533,487 0.525,488 25.834,489 0.861,490 6.96,491 0.232,492 7.584,493 0.253,494 0.092,495 0.027,496 0.24,501 0.755,502 1.277,503 0.914,504 1.13,505 0.577,506 1.047,507 1.203,508 0.958,509 1.018,510 0.915,511 0.621,512 0.932,513 0.939,514 1.166,515 1.124,516 1.163,517 0.876,518 1.158,519 0.838,520 1.02,521 0.988,522 1.021,523 1.001,524 1.017,525 0.793,526 0.89,527 0.854,528 0.892,529 0.902,530 0.878,531 1.167,532 1.011,533 1.073,534 1.036,535 1.533,536 1.046,537 0.87,538 1.021,539 1.053,540 1.054,541 1.492,542 1.072,543 0.397,544 0.96,545 0.816,546 0.957,547 0.57,548 0.929,549 7,550 0.173,551 3.333,552 1.5,553 1.911,554 0.833,555 0.523,556 0.418,557 0.275,558 0.154,559 13979,560 28240,561 2.099,562 51.6,563 3,564 23,568 2,569 4,572 1.721,573 1.989,574 3.799,575 -0.891,577 1,582 78.778,583 1.271,584 3.098,585 4.505,586 5.176,587 5.252,588 5.252,589 3.273,590 4.507,591 4.877,592 3.958,593 1721.51,594 8.465,595 25361.7,597 1,600 369.16,601 1.403,602 4.843,603 0.212,604 0.008,605 0.072,606 0.033,607 0.05,608 0.023,609 0.016,610 0.015,611 0.011,612 0.006,613 0.446,614 0.67,615 1,616 0.659,617 158.308,618 0.042,619 -0.121,620 0.069,621 -0.037,622 0.017,623 0.008,624 -0.12,625 0.165,626 -0.01,627 0.098,628 0.032,629 0.065,630 -0.066,631 -0.129,632 -0.147,633 -0.146,634 0.008,635 -0.152,636 -0.009,637 -0.056,638 -0.019,639 -0.048,640 -0.014,641 -0.036,642 0.039,643 0.064,644 0.118,645 0.071,646 0.05,647 0.098,648 -0.078,649 -0.039,650 -0.083,651 -0.056,652 -0.086,653 -0.068,654 0.02,655 -0.069,656 -0.082,657 -0.073,658 -0.146,659 -0.087,660 0.266,661 -0.018,662 0.138,663 0.019,664 0.176,665 0.061,666 1.403,667 5.794,668 0.733,669 34.631,670 0.983,671 1.119,672 0.832,673 0.692,674 0.657,675 3.526,676 3.85,677 4.078,678 4.29,679 4.564,680 4.554,681 4.625,682 4.745,683 4.779,684 4.71,685 8.167,686 0.607,687 402.6,688 3.526,689 5.069,690 5.905,691 6.777,692 7.629,693 8.502,694 9.361,695 10.236,696 11.097,697 11.973,698 1.6,712 1,714 2,715 11,720 3,722 17,727 1,739 1,741 62,743 18,744 3,745 33,747 65,748 27,749 16,750 5,751 11,752 1,756 4,757 5,767 2,768 1,770 4,772 17,773 10,774 1,777 1,782 1,786 1,790 1,793 32,794 2,796 3,802 1,803 1,807 1,808 0.75,809 2,829 4,833 1,859 3,864 2,868 30,876 7,878 1,880 1,883 1,893 3.2,896 1,898 1,901 15.083,902 11.583,903 6.597,904 4,907 3.049,908 1.395,909 0.963,910 6.316,911 10.775,912 3.773,913 4.344,914 4.879,915 5.417,916 6.009,917 6.222,918 6.578,919 6.915,920 7.17,921 6.924,922 0.9,923 46,924 11.156,926 4.693,927 0.026,929 7.494,931 22.15,933 18.726,936 1.994,937 59.833,940 1,941 376.675,942 161.867,945 36.145,948 161.867,949 412.82,951 19.279,952 16.455,953 104.239,954 30.278,955 27.76,957 376.675,959 376.675,960 161.867,961 36.145,964 329.591,965 83.229,968 16.455,969 145.412,972 376.675,973 36.145,974 161.867,977 376.675,978 38.349,979 123.518,981 36.145,982 376.675,983 36.145,984 161.867,986 0.581,987 0.334,988 0.17,989 0.1,990 22,991 9,992 0.108,993 7,994 1,995 1.091,996 4.3,997 256.571,998 0.091,999 22,1000 139.207,1005 20.779,1006 9.119,1007 5.18,1008 2.196,1009 36.145,1010 22.785,1015 3.09,1018 574.687,1019 42.5,1024 12.794,1028 0.264,1031 60.952,1032 69.353,1034 0.213,1035 0.52,1036 0.757,1037 0.869,1038 0.882,1039 0.882,1040 5.012,1041 1.451,1042 5.905,1043 4.418,1044 4.533,1045 5.03,1046 2.105,1047 6.713,1048 4.493,1049 6.211,1050 1.414,1051 7.467,1052 3.738,1053 4.205,1054 4.82,1055 0.931,1056 7.835,1057 4.103,1058 7.52,1059 1,1060 9.135,1061 3.072,1062 6.176,1063 7.2,1064 2.326,1065 10.804,1066 6.078,1067 8.861,1068 1,1069 10.868,1070 2.372,1071 6.661,1072 7.785,1073 1.381,1074 12.758,1075 6.479,1076 10.232,1077 0.77,1078 12.646,1079 2.136,1080 8.119,1081 9.669,1082 2.683,1083 15.325,1084 7.934,1085 11.623,1086 0.638,1087 14.455,1088 1.775,1089 8.967,1090 10.653,1091 1.783,1092 17.596,1093 8.694,1094 13.03,1095 0.427,1096 16.287,1097 1.436,1098 10.233,1099 12.318,1100 3.1,1101 20.068,1102 9.937,1103 3.303,1104 0.05,1105 18.136,1106 0.713,1107 11.252,1108 13.524,1109 2.192,1110 22.46,1111 10.87,1112 3.005,1113 11.915,1114 20,1115 0.126,1116 12.446,1117 15.084,1118 3.547,1119 24.917,1120 12.024,1121 2.665,1122 9.517,1123 21.876,1124 4.388,1125 13.546,1126 16.414,1127 2.615,1128 27.355,1129 13.04,1130 2.458,1131 8.266,1132 23.761,1133 3.532,1134 14.718,1135 17.924,1136 4.009,1137 29.815,1138 14.157,1139 2.332,1140 6.968,1141 25.655,1142 3.468,1143 15.856,1144 19.323,1145 3.05,1146 32.273,1147 15.215,1148 2.197,1149 6.679,1150 27.555,1151 3.16,1152 17.025,1153 20.811,1154 4.481,1155 34.739,1156 16.319,1157 1.618,1158 6.468,1159 29.462,1160 2.926,1161 18.183,1162 22.247,1163 3.495,1164 37.205,1165 17.397,1166 13133,1167 18816,1168 22.246,1169 40.716,1170 49.071,1171 50.03,1172 50.038,1173 48.685,1174 48.654,1175 62.154,1176 7.285,1177 139.198,1178 47.73,1179 5.464,1180 5.679,1181 6.8,1182 5.255,1183 5.303,1184 7.388,1185 2.555,1186 18.393,1187 5.036,1188 12.668,1189 1.487,1190 1.516,1191 1.516,1192 1.475,1193 1.474,1194 1.883,1195 0.221,1196 4.218,1197 1.446,1198 4.104,1199 4.127,1200 4.057,1201 4.055,1202 7.427,1203 4.053,1204 4.005,1205 4.056,1206 3.913,1207 3.893,1208 4.94,1209 3.89,1210 3.84,1211 3.881,1212 3.741,1213 3.75,1214 4.756,1215 3.741,1216 3.66,1217 3.696,1218 3.582,1219 3.524,1220 4.571,1221 3.532,1222 3.477,1223 3.529,1224 3.351,1225 3.322,1226 4.368,1227 3.321,1228 3.278,1229 3.336,1230 3.138,1231 3.089,1232 4.1,1233 3.087,1234 3.159,1235 3.231,1236 2.994,1237 2.981,1238 3.969,1239 2.977,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.798,1245 2.91,1246 0.135,1247 0.111,1248 0.212,1249 0.128,1250 0.1,1251 4.464,1252 0.133,1253 3.679,1254 0.039,1255 6.998,1256 0.361,1257 4.22,1258 0.092,1259 3.303,1260 4.388,1261 1.277,1262 11.915,1263 3.036,1264 2.075,1265 2.06,1266 2.159,1267 2.146,1268 1.543,1269 2.153,1270 1.971,1271 1.924,1272 2.135,1273 2.125,1274 1.299,1275 2.131,1276 1.853,1277 1.81,1278 2.014,1279 1.954,1280 1.213,1281 1.976,1282 1.625,1283 1.589,1284 1.821,1285 1.801,1286 1.046,1287 1.809,1288 1.458,1289 1.403,1290 1.667,1291 1.647,1292 0.825,1293 1.656,1294 1.248,1295 1.187,1296 1.569,1297 1.5,1298 0.822,1299 1.523,1300 1.158,1301 1.088,1302 1.513,1303 1.381,1304 0.681,1305 1.429,1306 1.153,1307 1.064,1308 1.492,1309 1.376,1310 0.554,1311 1.423,1312 4.205,1314 5.525,1316 7.045,1318 8.648,1320 10.293,1322 4.048,1328 7.591,1330 5.285,1332 0.667,1335 1.114,1340 37.616,1341 78.778,1342 192.059,1343 279.332,1344 320.896,1345 325.65,1346 325.65,1347 50.927,1348 7.726,1349 26.3,1350 26.3,1351 24,1352 12.515,1353 4.248,1354 3.392,1355 47.509,1356 150,1357 142,1358 0.153,1359 230.094,1360 399.66,1361 553.189,1362 27375,1364 20.976,1365 0.699,1366 0.606,1367 20.976,1368 18.194,1369 14.544,1370 0.441,1371 0.339,1372 11.088,1373 14.185,1374 10.753,1375 8.968,1376 14.544,1377 11.196,1378 13.197,1379 0.287,1380 0.202,1381 13.197,1382 9.306,1383 10.993,1384 0.19,1385 0.12,1386 10.993,1387 6.935,1388 8.6,1389 0.119,1390 0.069,1391 8.6,1392 4.932,1393 7.436,1394 0.078,1395 0.041,1396 7.436,1397 3.919,1398 0.251,1399 89.736,1400 0.212,1401 29.128,1402 0.393,1403 158,1404 347.804,1405 165.425,1406 342.247,1407 471.67,1408 322,1409 183,1410 344.154,1411 191.481,1412 356.529,1413 513.08,1414 334,1415 7.301}
{0 CHEMBL87849,1 1.59,2 14.774,3 5.586,4 31.207,5 122.241,6 8.084,7 0.647,8 4.084,9 4.176,10 3.762,11 3.702,12 5.225,13 3.662,14 4.603,15 4.747,16 4.127,17 4.087,18 5.7,19 4.026,20 4.794,21 4.948,22 4.186,23 4.201,24 5.93,25 4.113,26 4.875,27 5.068,28 4.052,29 4.169,30 5.909,31 4.051,32 4.85,33 5.072,34 3.986,35 4.096,36 5.834,37 3.976,38 4.74,39 4.94,40 3.894,41 4.055,42 5.821,43 3.917,44 4.689,45 4.917,46 3.777,47 3.941,48 5.741,49 3.782,50 4.487,51 4.694,52 3.644,53 3.741,54 5.562,55 3.648,56 0.026,57 0.753,58 10.049,59 5.418,60 7.256,61 6.254,62 0.236,63 1.248,64 20.791,65 9.135,66 24.285,67 10.309,68 0.372,69 1.533,70 27.736,71 11.699,72 43.442,73 13.166,74 0.335,75 1.587,76 32.37,77 12.893,78 48.01,79 15.078,80 0.379,81 1.472,82 32.919,83 12.426,84 41.635,85 15.113,86 0.365,87 1.425,88 28.811,89 11.525,90 49.839,91 13.526,92 0.465,93 1.303,94 30.667,95 11.632,96 54.175,97 14.197,98 0.261,99 1.119,100 22.269,101 8.545,102 36.342,103 10.146,104 21,105 47,106 0.26,107 0.573,108 0.73,109 0.816,110 0.822,111 0.828,112 3.471,113 0.96,114 -5.02,115 -4.92,116 -4.62,121 46.3,123 2,126 2,127 1,144 9,145 3,146 3,147 2,154 2,159 1,176 10,180 3,187 13,189 3,191 1,192 6,200 9,203 3,206 5,214 5,216 3,219 6,227 10,229 1,239 14,243 2,244 2,246 1,251 9,256 2,264 8,266 2,269 3,277 2,279 1,281 1679,282 21.151,283 21.151,284 21.151,285 21.151,286 21.151,287 18.45,288 22.952,289 12.349,290 21.798,291 16.658,292 16.658,293 16.658,294 16.658,295 16.658,296 12.4,297 26.026,298 5.751,299 17.551,300 4.165,301 2.252,302 1.297,303 0.769,304 0.732,305 0.695,306 4.168,311 1,312 1,313 991,314 3.536,317 77.402,318 329.259,321 146.75,325 2.377,326 29.12,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 67,338 458,339 4.565,340 3.615,341 6.437,342 4.067,343 3.12,344 4.502,345 1.277,346 10.099,347 2.95,348 4.115,349 3.241,350 6.068,351 3.732,352 2.764,353 3.707,354 0.86,355 8.762,356 2.682,357 4.077,358 2.997,359 5.709,360 3.684,361 2.726,362 3.578,363 0.86,364 7.824,365 2.622,366 3.948,367 2.825,368 5.627,369 3.517,370 2.541,371 3.545,372 0.522,373 7.466,374 2.478,375 3.701,376 2.716,377 5.354,378 3.297,379 2.332,380 3.048,382 6.983,383 2.228,384 3.53,385 2.616,386 5.079,387 3.156,388 2.201,389 2.838,391 6.217,392 2.076,393 3.266,394 2.215,395 4.784,396 2.84,397 1.892,398 2.538,400 5.382,401 1.778,402 3.178,403 2.124,404 4.717,405 2.698,406 1.771,407 2.471,409 5.118,410 1.628,411 2.7,412 1.653,413 4.113,414 2.241,415 1.279,416 1.709,418 3.482,419 1.208,420 2.5,421 1.427,422 3.943,423 2,424 1.136,425 1.5,427 2.841,428 1,429 2.5,430 1.116,431 3.414,432 1.984,433 1,434 1.5,436 2.275,437 0.983,438 2.399,439 1.001,440 3.414,441 1.983,442 1,443 1.376,445 2.275,446 0.946,447 1.859,448 1,449 3.125,450 1.568,451 0.56,452 0.684,454 1.307,455 0.556,456 1.554,457 1,458 2.887,459 1.212,460 0.361,461 0.394,463 0.509,464 0.304,465 1.486,466 0.706,467 2.857,468 1.152,469 0.241,470 0.311,472 0.458,473 0.209,474 15.019,475 0.484,476 0.708,477 0.023,478 40.75,479 1.315,480 21.5,481 0.694,482 19.25,483 0.621,484 25.467,485 0.822,486 32.681,487 0.605,488 30.476,489 0.983,490 8.229,491 0.265,492 6.821,493 0.22,494 0.108,496 0.326,499 1,501 0.665,502 1.019,503 0.706,504 0.961,505 0.535,506 0.906,507 1.017,508 0.839,509 0.84,510 0.786,511 0.648,512 0.792,513 0.942,514 1.082,515 1.087,516 1.132,517 1.014,518 1.091,519 0.917,520 1.034,521 1.131,522 1.182,523 0.976,524 1.152,525 0.823,526 0.785,527 0.933,528 0.939,529 0.57,530 0.925,531 0.873,532 0.904,533 1.195,534 1.12,535 1.193,536 1.127,537 0.471,538 0.93,539 1.143,540 1.146,541 0.663,542 1.039,543 1.08,544 1.091,545 1.005,546 1.04,547 1.073,548 0.992,549 7,550 0.204,551 3.333,552 1.667,553 1.934,554 0.883,555 0.682,556 0.477,557 0.184,558 0.177,559 15305,560 44186,561 2.084,562 42.6,563 2,564 17,566 2,568 2,572 1.729,573 1.958,574 3.83,575 -0.799,582 85.871,583 1.59,584 3.503,585 4.458,586 4.986,587 5.023,588 5.06,589 3.3,590 4.156,591 4.925,592 4.014,593 1866.48,594 8.558,595 28540.1,600 310.764,601 1.383,602 4.888,603 0.206,604 0.009,605 0.071,606 0.035,607 0.048,608 0.023,609 0.02,610 0.016,611 0.007,612 0.007,613 0.442,614 0.17,615 1,616 0.796,617 165.886,618 -0.01,619 -0.077,620 0.066,621 -0.014,622 -0.024,623 0.007,624 -0.12,625 0.11,626 0.075,627 0.185,628 -0.009,629 0.137,630 -0.007,631 -0.077,632 -0.092,633 -0.112,634 -0.054,635 -0.137,636 -0.065,637 -0.12,638 -0.123,639 -0.174,640 -0.096,641 -0.167,642 -0.031,643 0.026,644 0.068,645 0.043,646 0.043,647 0.08,648 -0.039,649 0.034,650 -0.142,651 -0.081,652 -0.1,653 -0.129,654 0.245,655 -0.06,656 0.012,657 -0.052,658 0.158,659 0.011,660 -0.069,661 -0.072,662 -0.028,663 -0.059,664 -0.01,665 -0.003,666 1.898,667 5.744,668 0.677,669 38.187,670 1.006,671 1.114,672 3.795,673 14.4,674 0.698,675 3.555,676 3.871,677 4.127,678 4.357,679 4.605,680 4.644,681 4.745,682 4.868,683 4.82,684 4.804,685 8.516,686 0.663,687 436.56,688 3.555,689 5.094,690 5.938,691 6.806,692 7.667,693 8.538,694 9.407,695 10.281,696 11.154,697 12.031,698 1.9,708 1,714 2,715 11,719 1,720 6,721 1,722 22,727 1,739 2,740 1,741 54,743 23,744 2,745 34,747 57,748 25,749 19,750 6,751 6,752 1,756 4,757 5,770 2,772 20,773 5,777 1,782 1,786 1,791 1,793 23,794 4,796 6,797 1,802 1,803 1,808 0.75,809 3,822 1,828 1,829 3,832 1,859 3,862 1,864 2,866 1,868 31,876 3,878 2,888 1,892 1,893 5.6,896 1,898 2,901 15.833,902 10.476,903 6.917,904 3.126,907 4.019,908 1.511,909 0.996,910 6.74,911 11.888,912 3.85,913 4.48,914 5.074,915 5.655,916 6.233,917 6.499,918 6.849,919 7.248,920 7.308,921 7.424,922 0.9,923 47,924 11.471,926 4.849,927 0.026,929 7.801,931 21.859,933 17.809,936 2.301,937 71.333,941 270.735,942 199.389,943 1.899,945 47.145,946 14.96,947 31.278,948 168.112,949 317.88,950 16.859,951 21.766,952 7.175,953 85.286,954 55.72,955 68.647,956 17.064,957 278.471,959 270.735,960 170.011,961 62.105,962 31.278,964 285.695,965 47.145,968 25.27,969 142.842,970 1.899,971 31.278,972 285.695,973 49.044,974 199.389,977 270.735,978 74.242,979 127.046,981 62.105,982 270.735,983 64.004,984 199.389,986 0.578,987 0.341,988 0.177,989 0.102,990 22,991 10,992 0.14,993 8,994 1,995 1.095,996 4.384,997 267.014,998 0.095,999 21,1000 145.58,1001 1,1005 21.603,1006 9.672,1007 5.173,1008 1.982,1009 62.105,1010 20.261,1014 1.478,1015 3.97,1016 2.033,1018 534.129,1019 46,1024 12.744,1028 0.127,1031 54.334,1032 60.161,1034 0.276,1035 0.609,1036 0.775,1037 0.866,1038 0.873,1039 0.879,1040 5.072,1041 1.771,1042 5.916,1043 5.382,1044 4.554,1045 5.168,1046 2.05,1047 6.696,1048 4.459,1049 6.288,1050 1.279,1051 7.458,1052 5.118,1053 4.111,1054 4.997,1056 7.506,1057 3.966,1058 7.598,1059 1.136,1060 9.09,1061 3.482,1062 6.129,1063 7.407,1064 2.159,1065 10.554,1066 5.956,1067 8.942,1068 1,1069 10.774,1070 2.841,1071 6.479,1072 8.04,1074 12.154,1075 6.242,1076 10.315,1077 1,1078 12.491,1079 2.275,1080 7.955,1081 9.923,1082 2.429,1083 14.711,1084 7.7,1085 11.707,1086 0.56,1087 14.23,1088 2.275,1089 8.675,1090 10.95,1092 16.666,1093 8.348,1094 13.114,1095 0.361,1096 15.985,1097 1.307,1098 9.928,1099 12.61,1100 2.797,1101 19.047,1102 9.579,1103 3.12,1104 0.241,1105 17.753,1106 0.509,1107 10.836,1108 13.852,1110 21.174,1111 10.415,1112 2.764,1113 10.099,1114 19.532,1115 0.458,1116 11.994,1117 15.411,1118 3.221,1119 23.491,1120 11.542,1121 2.726,1122 8.762,1123 21.319,1124 4.502,1125 12.999,1126 16.771,1128 25.704,1129 12.477,1130 2.541,1131 7.824,1132 23.113,1133 3.707,1134 14.12,1135 18.287,1136 3.675,1137 28.001,1138 13.557,1139 2.332,1140 7.466,1141 24.914,1142 3.578,1143 15.176,1144 19.712,1146 30.257,1147 14.546,1148 2.201,1149 6.983,1150 26.721,1151 3.545,1152 16.286,1153 21.212,1154 4.146,1155 32.551,1156 15.608,1157 1.892,1158 6.217,1159 28.532,1160 3.048,1161 17.37,1162 22.672,1164 34.829,1165 16.627,1166 14489,1167 24755,1168 22.77,1169 37.71,1170 50.38,1171 52.326,1172 52.111,1173 50.197,1174 50.226,1175 67.857,1176 7.038,1177 142.845,1178 47.649,1179 5.44,1180 5.615,1181 5.978,1182 5.184,1183 5.12,1184 7.502,1185 2.555,1186 16.854,1187 4.95,1188 15.403,1189 1.482,1190 1.539,1191 1.533,1192 1.476,1193 1.477,1194 1.996,1195 0.207,1196 4.201,1197 1.401,1198 4.099,1199 4.105,1200 4.339,1201 4.111,1202 8.201,1203 4.063,1204 4.004,1205 4.038,1206 3.95,1207 3.907,1208 7.427,1209 3.909,1210 3.851,1211 3.882,1212 3.791,1213 3.774,1214 4.969,1215 3.772,1216 3.618,1217 3.64,1218 3.625,1219 3.482,1220 4.797,1221 3.486,1222 3.405,1223 3.444,1224 3.376,1225 3.249,1226 4.594,1227 3.24,1228 3.249,1229 3.314,1230 3.098,1231 3.007,1232 4.527,1233 3.014,1234 3.184,1235 3.237,1236 3.073,1237 2.967,1238 4.496,1239 2.97,1240 3.005,1241 3.08,1242 2.902,1243 2.824,1244 3.94,1245 2.804,1246 0.134,1247 0.106,1248 0.189,1249 0.12,1250 0.092,1251 4.565,1252 0.132,1253 3.615,1254 0.038,1255 6.437,1256 0.297,1257 4.067,1258 0.087,1259 3.12,1260 4.502,1261 1.277,1262 10.099,1263 2.95,1264 1.969,1265 1.932,1266 2.085,1267 2.101,1268 1.27,1269 2.099,1270 1.908,1271 1.903,1272 1.976,1273 1.987,1274 1.149,1275 1.984,1276 1.848,1277 1.819,1278 1.958,1279 1.944,1280 1.138,1281 1.953,1282 1.622,1283 1.61,1284 1.745,1285 1.762,1286 0.914,1287 1.768,1288 1.323,1289 1.277,1290 1.579,1291 1.532,1292 0.676,1293 1.547,1294 1.22,1295 1.175,1296 1.571,1297 1.514,1298 0.582,1299 1.533,1300 1.185,1301 1.109,1302 1.425,1303 1.418,1304 0.574,1305 1.452,1306 1.087,1307 1.031,1308 1.322,1309 1.252,1310 0.529,1311 1.292,1312 4.234,1314 5.549,1315 2.398,1316 7.052,1317 4.727,1318 8.636,1319 6.843,1320 10.264,1322 3.206,1324 13.035,1328 1.8,1330 10.698,1340 35.794,1341 85.871,1342 189.161,1343 240.725,1344 269.254,1345 271.254,1346 273.254,1347 57.452,1348 7.868,1349 39.41,1350 67.65,1351 23,1352 12.57,1353 4.585,1354 3.7,1355 49.947,1356 161,1357 161,1358 0.15,1359 221.38,1360 382.25,1361 531.927,1362 32511,1363 1.9,1364 21.794,1365 0.703,1366 0.59,1367 21.278,1368 18.3,1369 15.05,1370 0.443,1371 0.32,1372 9.983,1373 14.003,1374 9.627,1375 7.992,1376 15.065,1377 10.882,1378 13.363,1379 0.284,1380 0.18,1381 13.383,1382 8.482,1383 11.407,1384 0.187,1385 0.105,1386 11.834,1387 6.421,1388 8.99,1389 0.117,1390 0.06,1391 9.72,1392 4.587,1393 7.638,1394 0.077,1395 0.033,1396 8.158,1397 3.294,1398 0.246,1399 98.671,1400 0.21,1401 29.988,1402 0.381,1403 162,1404 524.511,1405 201.396,1406 496.84,1407 667.39,1408 466,1409 189,1410 459.057,1411 226.597,1412 479.104,1413 695.17,1414 448,1415 5.783}
{0 CHEMBL87883,1 1.372,2 12.367,3 2.181,4 4.755,5 116.351,6 6.622,7 0.364,8 4.205,9 4.322,10 3.673,11 3.718,12 5.202,13 3.681,14 4.809,15 4.992,16 4.05,17 4.169,18 5.692,19 4.11,20 5.126,21 5.323,22 4.185,23 4.401,24 6.046,25 4.297,26 5.337,27 5.589,28 4.133,29 4.432,30 6.265,31 4.292,32 5.299,33 5.559,34 4.057,35 4.375,36 6.167,37 4.23,38 5.202,39 5.451,40 3.956,41 4.318,42 6.098,43 4.163,44 5.158,45 5.429,46 3.768,47 4.181,48 6.047,49 4.003,50 4.932,51 5.201,52 3.68,53 3.987,54 5.787,55 3.84,56 0.045,57 0.834,58 14.697,59 6.354,60 12.248,61 8.475,62 0.274,63 1.423,64 28.087,65 10.559,66 25.839,67 14.51,68 0.347,69 1.874,70 38.482,71 15.176,72 39.232,73 20.898,74 0.56,75 2.12,76 48.801,77 17.662,78 91.022,79 24.885,80 0.665,81 2.011,82 47.258,83 16.814,84 75.656,85 23.763,86 0.482,87 1.874,88 42.331,89 15.73,90 66.332,91 22.19,92 0.719,93 1.714,94 41.285,95 14.451,96 85.719,97 20.67,98 0.291,99 1.378,100 32.452,101 11.772,102 47.414,103 16.676,104 30,105 48,106 0.222,107 0.543,108 0.765,109 0.811,110 0.823,111 0.828,112 3.44,113 0.995,114 -0.48,115 -0.61,116 -0.75,121 40.3,123 3,124 2,126 3,127 3,129 1,144 7,145 3,146 2,159 1,176 13,180 4,185 2,187 14,189 3,191 1,192 7,197 3,200 10,203 3,206 5,209 1,211 2,214 6,216 2,218 1,219 5,224 2,226 1,227 11,229 2,231 1,239 10,241 1,244 2,246 1,247 2,249 1,251 5,253 2,256 4,261 2,264 4,266 2,269 1,274 2,277 6,281 1464,282 20.24,283 20.24,284 20.24,285 20.24,286 20.24,287 18.697,288 25.464,289 11.575,290 20.723,291 16.111,292 16.111,293 16.111,294 16.111,295 16.111,296 13.633,297 29.727,298 5.3,299 16.715,300 4.582,301 2.602,302 1.237,303 0.952,304 0.875,305 0.843,306 4.132,311 1,312 1,313 801,314 3.606,317 70.003,318 299.04,321 133.436,325 1.991,326 31.629,329 1,330 1,331 1,332 0.9,333 1,334 1,335 1,336 0.99,337 64.5,338 371,339 4.545,340 3.827,341 7.001,342 4.287,343 3.322,344 4.176,345 1.277,346 11.922,347 3.283,348 4.329,349 3.679,350 6.844,351 4.209,352 3.255,353 3.532,354 1.26,355 11.301,356 3.037,357 4.072,358 3.191,359 6.298,360 3.815,361 2.856,362 3.411,363 0.86,364 9.454,365 2.737,366 3.816,367 2.885,368 5.997,369 3.527,370 2.557,371 3.165,372 0.86,373 8.397,374 2.472,375 3.684,376 2.582,377 5.359,378 3.389,379 2.4,380 2.799,381 0.245,382 6.801,383 2.361,384 3.263,385 2.552,386 5.283,387 2.935,388 1.936,389 2.455,391 6.244,392 1.926,393 3.014,394 2.197,395 4.937,396 2.787,397 1.81,398 2.109,400 5.475,401 1.768,402 2.871,403 1.898,404 4.322,405 2.438,406 1.442,407 2.018,409 3.641,410 1.436,411 2.594,412 1.533,413 3.871,414 2.318,415 1.374,416 1.558,418 3.076,419 1.277,420 2.5,421 1.375,422 3.802,423 2,424 1,425 1.5,427 2.372,428 1,429 2.048,430 1.08,431 3.668,432 1.984,433 1,434 1,436 2.354,437 0.983,438 2,439 1.077,440 3.281,441 1.858,442 0.921,443 0.991,445 2.136,446 0.852,447 1.684,448 1,449 3.247,450 1.419,451 0.47,452 0.551,454 0.946,455 0.439,456 1.468,457 0.99,458 3.087,459 1.212,460 0.362,461 0.39,463 0.491,464 0.305,465 1.199,466 0.487,467 2.783,468 1.015,469 0.055,470 0.06,472 0.146,473 0.053,474 14.233,475 0.474,476 0.821,477 0.027,478 33.5,479 1.117,480 14.5,481 0.483,482 19,483 0.633,484 31.256,485 1.042,486 34.067,487 0.549,488 25.757,489 0.859,490 6.498,491 0.217,492 7.939,493 0.265,494 0.152,495 0.028,496 0.316,501 0.837,502 1.367,503 0.896,504 1.209,505 0.727,506 1.081,507 1.153,508 0.93,509 0.973,510 0.878,511 0.736,512 0.881,513 0.84,514 1.244,515 1.063,516 1.235,517 0.916,518 1.187,519 0.961,520 1.051,521 0.988,522 1.046,523 1.134,524 1.024,525 0.994,526 0.917,527 0.968,528 0.927,529 1.046,530 0.942,531 0.871,532 1.091,533 1.05,534 1.108,535 1.104,536 1.105,537 0.91,538 0.949,539 1.033,540 0.967,541 1.343,542 1.013,543 0.911,544 1.011,545 0.885,546 0.999,547 0.95,548 0.95,549 7,550 0.237,551 4,552 2.889,553 2.254,554 1.296,555 0.838,556 0.517,557 0.376,558 0.176,559 12122,560 26925,561 2.059,562 51.6,563 2,564 23,567 1,568 1,569 5,572 1.726,573 1.905,574 3.589,575 -0.415,577 1,582 85.064,583 1.372,584 3.352,585 4.718,586 5.002,587 5.079,588 5.111,589 3.086,590 4.415,591 4.875,592 3.752,593 1632.04,594 8.493,595 22651.2,597 1,600 369.16,601 1.615,602 4.82,603 0.212,604 0.01,605 0.083,606 0.057,607 0.049,608 0.03,609 0.022,610 0.017,611 0.013,612 0.007,613 0.5,614 0.5,615 1,616 0.855,617 154.775,618 -0.016,619 -0.14,620 0.062,621 -0.046,622 -0.037,623 0.007,624 -0.139,625 0.221,626 0.021,627 0.17,628 -0.032,629 0.132,630 0.032,631 -0.165,632 -0.098,633 -0.179,634 0.006,635 -0.159,636 0.017,637 -0.078,638 -0.005,639 -0.067,640 0.054,641 -0.043,642 0.023,643 0.041,644 0.022,645 0.037,646 -0.007,647 0.03,648 0.016,649 -0.108,650 -0.081,651 -0.116,652 -0.014,653 -0.113,654 0.095,655 -0.011,656 -0.046,657 -0.018,658 -0.038,659 -0.049,660 0.008,661 -0.074,662 0.09,663 -0.032,664 0.037,665 0.03,666 1.938,667 6.057,668 0.7,669 32.173,670 0.994,671 1.125,672 -0.748,673 0.559,674 0.639,675 3.526,676 3.892,677 4.19,678 4.454,679 4.7,680 4.804,681 4.934,682 5.069,683 5.075,684 5.112,685 7.178,686 0.598,687 410.58,688 3.526,689 5.094,690 5.964,691 6.866,692 7.754,693 8.662,694 9.558,695 10.469,696 11.369,697 12.283,698 1.6,712 1,715 7,720 5,722 12,727 1,739 2,741 62,743 13,744 2,745 33,747 65,748 25,749 12,750 5,751 7,752 1,756 4,757 5,767 3,768 2,770 4,772 13,773 12,774 2,777 1,782 1,786 1,790 1,793 32,794 4,795 1,796 5,802 1,803 1,807 1,808 0.75,809 4,811 1,828 1,829 3,832 1,857 1,859 3,864 3,868 30,875 1,876 6,878 2,880 3,883 1,893 6.5,894 1,896 1,898 2,901 15.75,902 11.783,903 6.625,904 3.838,907 2.066,908 1.264,909 0.915,910 6.08,911 9.888,912 3.714,913 4.263,914 4.779,915 5.27,916 5.759,917 5.907,918 6.143,919 6.325,920 6.339,921 6.36,922 1,923 51,924 11.233,926 4.88,927 0.026,929 7.65,931 21.887,933 18.784,936 2.15,937 64.5,941 364.904,942 135.594,945 89.828,948 135.594,949 454.732,951 30.162,952 13.921,953 109.017,954 30.278,955 42.043,957 364.904,959 364.904,960 135.594,961 89.828,964 306.049,965 106,966 42.683,968 13.921,969 121.673,972 364.904,973 89.828,974 135.594,977 364.904,978 39.098,979 96.496,981 89.828,982 364.904,983 89.828,984 135.594,986 0.588,987 0.358,988 0.19,989 0.105,990 24,991 11,992 0.092,993 6,994 1,995 1.095,996 4.075,997 272.162,998 0.095,999 21,1000 139.207,1005 21.203,1006 8.602,1007 4.244,1009 89.828,1010 14.235,1015 4.153,1017 42.683,1018 590.326,1019 40,1024 13.057,1028 0.033,1031 61.607,1032 69.772,1034 0.23,1035 0.563,1036 0.792,1037 0.84,1038 0.853,1039 0.858,1040 4.997,1041 1.442,1042 5.994,1043 5.475,1044 4.575,1045 4.949,1046 2.271,1047 6.876,1048 4.512,1049 6.199,1050 1.374,1051 7.606,1052 3.641,1053 4.369,1054 4.808,1055 0.931,1056 8.082,1057 4.25,1058 7.524,1059 1,1060 9.324,1061 3.076,1062 6.286,1063 7.052,1064 2.428,1065 11.12,1066 6.158,1067 8.88,1068 1,1069 11.104,1070 2.372,1071 6.889,1072 7.68,1073 1.381,1074 13.103,1075 6.696,1076 10.268,1077 0.921,1078 12.923,1079 2.354,1080 8.316,1081 9.457,1082 2.737,1083 15.724,1084 8.114,1085 11.676,1086 0.47,1087 14.767,1088 2.136,1089 9.253,1090 10.437,1091 1.783,1092 17.992,1093 8.995,1094 13.099,1095 0.362,1096 16.629,1097 0.946,1098 10.511,1099 12.025,1100 3.126,1101 20.493,1102 10.237,1103 3.322,1104 0.055,1105 18.504,1106 0.491,1107 11.589,1108 13.192,1109 2.192,1110 22.872,1111 11.271,1112 3.255,1113 11.922,1114 20.39,1115 0.146,1116 12.791,1117 14.691,1118 3.559,1119 25.337,1120 12.452,1121 2.856,1122 11.301,1123 22.283,1124 4.176,1125 13.928,1126 15.964,1127 2.615,1128 27.761,1129 13.554,1130 2.557,1131 9.454,1132 24.183,1133 3.532,1134 15.113,1135 17.421,1136 4.015,1137 30.218,1138 14.717,1139 2.4,1140 8.397,1141 26.088,1142 3.411,1143 16.276,1144 18.756,1145 3.05,1146 32.661,1147 15.852,1148 1.936,1149 6.801,1150 27.997,1151 3.165,1152 17.458,1153 20.193,1154 4.483,1155 35.118,1156 17.012,1157 1.81,1158 6.244,1159 29.91,1160 2.799,1161 18.633,1162 21.565,1163 3.495,1164 37.57,1165 18.164,1166 11579,1167 17391,1168 21.671,1169 39.625,1170 49.836,1171 51.308,1172 52.539,1173 49.478,1174 49.523,1175 59.432,1176 9.005,1177 149.513,1178 47.856,1179 5.545,1180 5.827,1181 6.803,1182 5.323,1183 5.322,1184 7.176,1185 2.555,1186 19.46,1187 5.283,1188 15.904,1189 1.51,1190 1.555,1191 1.592,1192 1.499,1193 1.501,1194 1.801,1195 0.273,1196 4.531,1197 1.45,1198 4.078,1199 4.112,1200 4.019,1201 3.989,1202 7.427,1203 3.992,1204 3.977,1205 4.012,1206 3.899,1207 3.878,1208 6.448,1209 3.876,1210 3.83,1211 3.871,1212 3.735,1213 3.727,1214 4.915,1215 3.723,1216 3.601,1217 3.634,1218 3.517,1219 3.426,1220 4.756,1221 3.441,1222 3.382,1223 3.438,1224 3.252,1225 3.186,1226 4.495,1227 3.192,1228 3.25,1229 3.315,1230 3.063,1231 2.963,1232 4.355,1233 2.973,1234 3.12,1235 3.206,1236 2.921,1237 2.941,1238 4.288,1239 2.91,1240 3.111,1241 3.199,1242 2.866,1243 2.898,1244 3.858,1245 2.892,1246 0.138,1247 0.116,1248 0.212,1249 0.13,1250 0.101,1251 4.545,1252 0.127,1253 3.827,1254 0.039,1255 7.001,1256 0.361,1257 4.287,1258 0.099,1259 3.322,1260 4.176,1261 1.277,1262 11.922,1263 3.283,1264 1.971,1265 1.925,1266 2.139,1267 2.139,1268 1.538,1269 2.144,1270 1.881,1271 1.872,1272 2.009,1273 1.978,1274 1.246,1275 1.977,1276 1.853,1277 1.814,1278 1.956,1279 1.957,1280 1.147,1281 1.967,1282 1.615,1283 1.57,1284 1.802,1285 1.803,1286 1.052,1287 1.804,1288 1.331,1289 1.263,1290 1.616,1291 1.545,1292 0.86,1293 1.571,1294 1.232,1295 1.184,1296 1.574,1297 1.521,1298 0.825,1299 1.537,1300 1.186,1301 1.107,1302 1.56,1303 1.513,1304 0.586,1305 1.527,1306 1.153,1307 1.064,1308 1.513,1309 1.376,1310 0.574,1311 1.429,1312 4.205,1314 5.557,1315 2.398,1316 7.111,1317 4.844,1318 8.749,1319 7.034,1320 10.432,1322 5.466,1327 11.139,1328 5.506,1330 10.731,1332 -0.806,1335 0.987,1340 37.046,1341 85.064,1342 207.818,1343 292.489,1344 310.141,1345 314.896,1346 316.896,1347 67.711,1348 7.822,1349 55.76,1350 55.76,1351 23,1352 12.798,1353 3.807,1354 3,1355 47.238,1356 129,1357 132,1358 0.18,1359 224.757,1360 398.82,1361 540.166,1362 27212,1364 21.303,1365 0.71,1366 0.606,1367 21.303,1368 18.188,1369 14.437,1370 0.437,1371 0.332,1372 10.783,1373 13.87,1374 10.452,1375 8.673,1376 14.437,1377 10.95,1378 13.206,1379 0.275,1380 0.195,1381 13.206,1382 9.34,1383 11.589,1384 0.178,1385 0.112,1386 11.589,1387 7.258,1388 9.486,1389 0.112,1390 0.063,1391 9.486,1392 5.397,1393 7.69,1394 0.071,1395 0.038,1396 7.69,1397 4.143,1398 0.284,1399 90.787,1400 0.215,1401 28.445,1402 0.485,1403 162,1404 407.689,1405 174.407,1406 385.439,1407 522.05,1408 362,1409 194,1410 371.972,1411 208.572,1412 380.943,1413 556.53,1414 355,1415 5.842}
{0 CHEMBL87937,1 1.549,2 13.148,3 3.666,4 13.442,5 108.455,6 7.579,7 0.552,8 4.017,9 4.113,10 3.642,11 3.569,12 5.101,13 3.526,14 4.557,15 4.721,16 3.975,17 3.942,18 5.549,19 3.874,20 4.685,21 4.846,22 4.048,23 4.071,24 5.732,25 3.972,26 4.788,27 4.979,28 3.949,29 4.069,30 5.777,31 3.941,32 4.814,33 5.051,34 3.863,35 3.969,36 5.76,37 3.842,38 4.627,39 4.827,40 3.739,41 3.907,42 5.649,43 3.76,44 4.591,45 4.823,46 3.602,47 3.812,48 5.57,49 3.628,50 4.426,51 4.657,52 3.466,53 3.612,54 5.34,55 3.495,56 0.013,57 0.675,58 11.065,59 5.318,60 7.852,61 6.358,62 0.318,63 1.089,64 22.938,65 8.667,66 24.84,67 10.143,68 0.398,69 1.255,70 27.351,71 10.544,72 32.422,73 12.577,74 0.221,75 1.346,76 30.894,77 11.994,78 34.7,79 14.663,80 0.403,81 1.328,82 33.436,83 11.454,84 41.964,85 14.308,86 0.247,87 1.148,88 27.063,89 10.282,90 35.987,91 12.392,92 0.432,93 1.098,94 28.476,95 10.346,96 46.841,97 12.907,98 0.237,99 0.903,100 22.148,101 7.765,102 24.523,103 9.98,104 28,105 39,106 0.26,107 0.579,108 0.741,109 0.82,110 0.827,111 0.833,112 3.339,113 1.005,114 -3.24,115 -3.23,116 -3.1,121 41.2,123 2,126 3,127 2,144 5,145 2,146 2,147 2,154 2,159 1,176 6,180 3,187 9,189 2,191 1,192 6,194 1,200 7,203 1,206 5,214 3,216 1,219 8,227 5,229 1,232 1,239 7,243 2,244 3,246 1,251 4,256 3,264 4,266 2,269 2,279 1,281 1186,282 18.558,283 18.558,284 18.558,285 18.558,286 18.558,287 16.632,288 19.153,289 11.08,290 19.348,291 14.157,292 14.157,293 14.157,294 14.157,295 14.157,296 10.979,297 16.429,298 5.069,299 15.144,300 4.123,301 2.226,302 1.258,303 0.79,304 0.75,305 0.711,306 4.022,310 1,311 1,312 1,313 748,314 3.674,317 64.844,318 179.811,321 122.812,325 2.091,326 22.252,329 1,330 1,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.88,337 58.5,338 355,339 4.565,340 3.615,341 6.437,342 4.067,343 3.12,344 4.502,345 1.277,346 10.099,347 2.95,348 4.091,349 3.241,350 6.068,351 3.719,352 2.754,353 3.641,354 0.86,355 8.762,356 2.671,357 4.03,358 2.807,359 5.709,360 3.602,361 2.647,362 3.57,363 0.86,364 7.513,365 2.533,366 3.702,367 2.711,368 5.487,369 3.306,370 2.341,371 3.047,372 0.86,373 7.322,374 2.233,375 3.479,376 2.466,377 5.128,378 3.134,379 2.175,380 2.762,382 6.363,383 2.067,384 3.178,385 2.215,386 4.717,387 2.698,388 1.771,389 2.471,391 5.118,392 1.628,393 2.703,394 2.051,395 4.115,396 2.328,397 1.439,398 1.714,400 3.494,401 1.274,402 2.5,403 1.653,404 3.943,405 2.212,406 1.268,407 1.5,409 2.841,410 1.171,411 2.478,412 1.427,413 3.452,414 1.984,415 1.136,416 1.474,418 2.655,419 0.983,420 2.399,421 1.13,422 3.414,423 1.983,424 1,425 1.376,427 2.275,428 0.945,429 1.842,430 1.001,431 3.041,432 1.561,433 0.572,434 0.678,436 1.229,437 0.555,438 1.554,439 1,440 2.887,441 1.215,442 0.364,443 0.396,445 0.499,446 0.306,447 1.485,448 0.691,449 2.741,450 1.176,451 0.245,452 0.311,454 0.458,455 0.227,456 1.397,457 0.518,458 2.489,459 1.12,460 0.241,461 0.273,463 0.413,464 0.208,465 0.863,466 0.184,467 2.4,468 0.568,469 -0.406,470 -0.48,472 -0.791,473 -0.388,474 13.067,475 0.484,476 0.533,477 0.02,478 32.5,479 1.204,480 15.5,481 0.574,482 17,483 0.63,484 23.059,485 0.854,486 29.833,487 0.585,488 23.626,489 0.875,490 6.639,491 0.246,492 6.5,493 0.241,494 0.14,496 0.298,501 0.802,502 1.291,503 0.762,504 1.088,505 0.609,506 1.011,507 1.4,508 0.771,509 0.901,510 0.691,511 0.875,512 0.729,513 0.898,514 1.015,515 1.076,516 1.077,517 1.075,518 1.037,519 0.852,520 1.25,521 1.097,522 1.274,523 1.145,524 1.198,525 1.065,526 0.872,527 0.937,528 0.903,529 0.842,530 0.874,531 0.977,532 1.1,533 1.207,534 1.17,535 1.55,536 1.136,537 0.428,538 1.057,539 1.194,540 1.209,541 0.831,542 1.089,543 0.948,544 0.974,545 0.916,546 0.96,547 0.876,548 0.905,549 5.5,550 0.151,551 2.889,552 1.417,553 1.592,554 0.903,555 0.541,556 0.362,557 0.184,558 0.136,559 9470,560 25412,561 2.035,562 47.1,563 2,564 18,566 2,568 2,572 1.695,573 1.906,574 3.663,575 -0.769,577 1,582 79.016,583 1.549,584 3.447,585 4.415,586 4.883,587 4.922,588 4.961,589 3.134,590 4.162,591 4.721,592 3.822,593 1341.48,594 8.165,595 18069.7,597 1,599 1,600 289.294,601 1.399,602 4.685,603 0.19,604 0.008,605 0.074,606 0.035,607 0.045,608 0.028,609 0.019,610 0.015,611 0.008,612 0.007,613 0.43,614 0.33,615 1,616 1.289,617 137.065,618 -0.007,619 -0.173,620 0.081,621 -0.063,622 -0.004,623 -0.023,624 -0.22,625 0.294,626 0.084,627 0.309,628 -0.086,629 0.223,630 0.047,631 0.057,632 -0.042,633 -0.01,634 -0.036,635 -0.049,636 -0.02,637 -0.248,638 -0.09,639 -0.227,640 -0.077,641 -0.191,642 -0.067,643 0.1,644 0.076,645 0.072,646 0.07,647 0.104,648 -0.104,649 -0.087,650 -0.133,651 -0.097,652 -0.111,653 -0.13,654 0.286,655 -0.063,656 -0.036,657 -0.092,658 0.211,659 -0.052,660 -0.036,661 -0.02,662 0.052,663 0.013,664 0.047,665 0.088,666 1.509,667 5.631,668 0.556,669 29.531,670 1.003,671 1.118,672 2.006,673 4.025,674 0.671,675 3.401,676 3.689,677 3.951,678 4.174,679 4.407,680 4.477,681 4.554,682 4.663,683 4.585,684 4.477,685 7.451,686 0.63,687 386.53,688 3.401,689 4.92,690 5.759,691 6.621,692 7.484,693 8.354,694 9.227,695 10.102,696 10.98,697 11.86,698 2,708 1,714 2,715 7,719 1,720 4,721 1,722 16,727 1,739 2,741 51,743 17,744 1,745 29,747 53,748 21,749 13,750 4,751 2,752 1,756 3,757 4,770 2,772 14,773 7,777 1,782 1,786 1,790 1,793 24,794 4,796 6,797 1,802 1,803 1,808 0.667,809 4,822 1,828 1,829 2,832 1,858 1,859 2,862 1,864 3,868 27,876 4,878 3,888 1,893 7.8,896 1,897 1,898 2,901 14.167,902 10.167,903 6.25,904 2.91,907 3.014,908 1.413,909 0.955,910 6.939,911 10.308,912 3.664,913 4.259,914 4.865,915 5.449,916 6.018,917 6.342,918 6.671,919 7.034,920 7.009,921 6.982,922 0.889,923 40,924 9.977,926 4.073,927 0.026,929 7.685,931 19.186,933 15.193,936 2.185,937 59,939 1,940 1,941 282.506,942 164.653,943 1.899,945 58.145,947 31.278,948 133.375,949 340.651,950 1.899,951 32.649,952 11.767,953 47.381,954 66.72,955 56.34,956 2.104,957 290.242,959 282.506,960 135.275,961 58.145,962 31.278,964 282.506,965 47.145,966 11,968 29.862,969 103.513,970 1.899,971 31.278,972 282.506,973 60.044,974 164.653,977 282.506,978 66.528,979 100.024,981 58.145,982 282.506,983 60.044,984 164.653,986 0.564,987 0.337,988 0.177,989 0.102,990 17,991 8,992 0.17,993 9,994 1,995 1.133,996 3.965,997 216.263,998 0.133,999 15,1000 124.382,1001 1,1005 19.93,1006 9.4,1007 4.919,1008 2.023,1009 58.145,1010 13.942,1014 1.498,1015 3.276,1016 2.071,1018 507.203,1019 38,1024 12.631,1028 0.158,1031 51.149,1032 57.031,1034 0.273,1035 0.608,1036 0.778,1037 0.861,1038 0.868,1039 0.875,1040 4.875,1041 1.268,1042 5.727,1043 3.494,1044 4.369,1045 4.945,1046 2.164,1047 6.509,1048 4.255,1049 6.075,1050 1.136,1051 7.269,1052 2.841,1053 3.892,1054 4.796,1056 7.345,1057 3.751,1058 7.382,1059 1,1060 8.907,1061 2.655,1062 5.938,1063 7.187,1064 2.263,1065 10.406,1066 5.739,1067 8.729,1068 0.572,1069 10.602,1070 2.275,1071 6.293,1072 7.879,1074 12.045,1075 6.05,1076 10.107,1077 0.364,1078 12.33,1079 1.229,1080 7.776,1081 9.737,1082 2.495,1083 14.608,1084 7.493,1085 11.508,1086 0.245,1087 14.082,1088 0.499,1089 8.517,1090 10.823,1092 16.591,1093 8.174,1094 12.926,1095 0.241,1096 15.851,1097 0.458,1098 9.772,1099 12.467,1100 2.832,1101 18.978,1102 9.393,1103 3.12,1104 -0.406,1105 17.631,1106 0.413,1107 10.701,1108 13.755,1110 21.123,1111 10.256,1112 2.754,1113 10.099,1114 19.422,1115 -0.791,1116 11.863,1117 15.308,1118 3.238,1119 23.447,1120 11.378,1121 2.647,1122 8.762,1123 21.22,1124 4.502,1125 12.886,1126 16.699,1128 25.67,1129 12.335,1130 2.341,1131 7.513,1132 23.025,1133 3.641,1134 14.012,1135 18.215,1136 3.683,1137 27.973,1138 13.416,1139 2.175,1140 7.322,1141 24.835,1142 3.57,1143 15.082,1144 19.66,1146 30.234,1147 14.421,1148 1.771,1149 6.363,1150 26.65,1151 3.047,1152 16.198,1153 21.163,1154 4.149,1155 32.533,1156 15.487,1157 1.439,1158 5.118,1159 28.469,1160 2.762,1161 17.292,1162 22.636,1164 34.815,1165 16.519,1166 9331,1167 15425,1168 19.186,1169 34.228,1170 42.117,1171 44.053,1172 44.343,1173 42.046,1174 42.147,1175 55.431,1176 7.715,1177 118.08,1178 39.501,1179 5.441,1180 5.615,1181 6.3,1182 5.184,1183 5.12,1184 7.502,1185 2.555,1186 16.854,1187 4.95,1188 13.979,1189 1.452,1190 1.519,1191 1.529,1192 1.45,1193 1.453,1194 1.911,1195 0.266,1196 4.072,1197 1.362,1198 4.096,1199 4.098,1200 4.339,1201 4.111,1202 7.427,1203 4.061,1204 3.969,1205 4.013,1206 3.906,1207 3.852,1208 4.969,1209 3.857,1210 3.641,1211 3.672,1212 3.63,1213 3.495,1214 4.792,1215 3.499,1216 3.5,1217 3.531,1218 3.425,1219 3.322,1220 4.598,1221 3.318,1222 3.366,1223 3.411,1224 3.277,1225 3.164,1226 4.527,1227 3.162,1228 3.249,1229 3.314,1230 3.077,1231 2.967,1232 4.496,1233 2.97,1234 3.128,1235 3.204,1236 2.96,1237 2.877,1238 3.946,1239 2.88,1240 2.995,1241 3.084,1242 2.894,1243 2.802,1244 3.763,1245 2.771,1246 0.157,1247 0.125,1248 0.222,1249 0.14,1250 0.108,1251 4.565,1252 0.155,1253 3.615,1254 0.044,1255 6.437,1256 0.348,1257 4.067,1258 0.102,1259 3.12,1260 4.502,1261 1.277,1262 10.099,1263 2.95,1264 1.934,1265 1.903,1266 2.064,1267 2.084,1268 1.265,1269 2.081,1270 1.908,1271 1.892,1272 1.963,1273 1.987,1274 1.14,1275 1.983,1276 1.644,1277 1.626,1278 1.813,1279 1.807,1280 1.086,1281 1.816,1282 1.455,1283 1.412,1284 1.668,1285 1.672,1286 0.821,1287 1.675,1288 1.268,1289 1.215,1290 1.578,1291 1.529,1292 0.633,1293 1.544,1294 1.215,1295 1.169,1296 1.57,1297 1.513,1298 0.58,1299 1.532,1300 1.177,1301 1.099,1302 1.493,1303 1.415,1304 0.572,1305 1.456,1306 1.074,1307 0.983,1308 1.361,1309 1.29,1310 0.55,1311 1.349,1312 4.078,1314 5.371,1315 2.398,1316 6.86,1317 4.727,1318 8.439,1319 6.843,1320 10.068,1322 4.92,1328 2.725,1330 15.757,1340 32.126,1341 79.016,1342 175.791,1343 225.155,1344 249.029,1345 251.029,1346 253.029,1347 47.848,1348 7.294,1349 48.64,1350 76.88,1351 17,1352 12.397,1353 4.17,1354 3.322,1355 47.397,1356 120,1357 142,1358 0.192,1359 201.984,1360 346.95,1361 484.601,1362 14624,1364 19.225,1365 0.712,1366 0.62,1367 19.579,1368 16.728,1369 13.139,1370 0.453,1371 0.335,1372 8.794,1373 12.039,1374 8.422,1375 7.027,1376 13.547,1377 9.715,1378 11.143,1379 0.286,1380 0.19,1381 11.786,1382 7.422,1383 9.571,1384 0.188,1385 0.112,1386 10.409,1387 5.695,1388 7.499,1389 0.117,1390 0.063,1391 8.372,1392 4.018,1393 6.221,1394 0.077,1395 0.035,1396 7.031,1397 2.857,1398 0.311,1399 87.543,1400 0.228,1401 26.53,1402 0.499,1403 136,1404 422.135,1405 173.779,1406 413.446,1407 555.75,1408 390,1409 158,1410 372.451,1411 194.569,1412 396.947,1413 574.43,1414 368,1415 6.538}
{0 CHEMBL87955,1 1.425,2 12.379,3 3.382,4 11.435,5 111.437,6 7.368,7 0.563,8 4.067,9 4.165,10 3.625,11 3.625,12 5.183,13 3.606,14 4.6,15 4.748,16 3.972,17 4.026,18 5.637,19 3.991,20 4.835,21 4.995,22 4.093,23 4.184,24 5.93,25 4.123,26 4.97,27 5.164,28 4.035,29 4.174,30 6.119,31 4.093,32 4.951,33 5.17,34 3.951,35 4.116,36 6.006,37 4.025,38 4.838,39 5.05,40 3.827,41 4.044,42 5.9,43 3.939,44 4.786,45 5.027,46 3.646,47 3.891,48 5.818,49 3.763,50 4.558,51 4.792,52 3.534,53 3.7,54 5.557,55 3.603,56 0.025,57 0.685,58 10.831,59 5.218,60 11.551,61 6.409,62 0.209,63 1.134,64 20.568,65 8.516,66 25.403,67 10.588,68 0.249,69 1.405,70 26.255,71 11.164,72 36.31,73 14.213,74 0.406,75 1.546,76 32.229,77 12.467,78 80.218,79 16.009,80 0.538,81 1.503,82 32.852,83 12.123,84 66.208,85 15.892,86 0.377,87 1.367,88 28.503,89 11.088,90 55.467,91 14.62,92 0.574,93 1.267,94 28.531,95 10.365,96 69.793,97 14.058,98 0.197,99 1.007,100 22.133,101 8.433,102 41.044,103 11.252,104 21,105 45,106 0.236,107 0.566,108 0.739,109 0.816,110 0.831,111 0.837,112 3.408,113 0.91,114 -3.73,115 -3.7,116 -3.52,121 45.3,123 1,124 1,126 2,127 1,129 1,144 9,145 4,146 2,147 2,159 1,176 13,180 4,185 2,187 14,189 3,191 1,192 7,197 3,200 10,203 3,206 5,209 1,211 2,214 6,216 2,218 1,219 5,224 2,226 1,227 11,229 2,231 1,239 10,241 1,244 2,246 1,247 2,249 1,251 5,253 2,256 4,261 2,264 4,266 2,269 1,274 2,277 6,281 1372,282 19.894,283 19.894,284 19.894,285 19.894,286 19.894,287 17.653,288 26.712,289 11.582,290 20.348,291 15.649,292 15.649,293 15.649,294 15.649,295 15.649,296 12.121,297 35.302,298 5.337,299 16.185,300 4.303,301 2.309,302 1.26,303 0.797,304 0.708,305 0.67,306 4.104,311 1,312 1,313 778,314 3.24,317 66.773,318 286.462,321 127.154,325 2.048,326 29.416,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 62.5,338 359,339 4.549,340 3.84,341 6.847,342 4.276,343 3.275,344 4.177,345 1.277,346 11.307,347 3.281,348 4.184,349 3.211,350 6.304,351 3.854,352 2.891,353 3.726,354 0.86,355 9.472,356 2.787,357 4.016,358 3.101,359 6.003,360 3.649,361 2.691,362 3.456,363 0.86,364 8.436,365 2.584,366 3.88,367 2.878,368 5.589,369 3.518,370 2.541,371 3.364,372 0.765,373 7.678,374 2.472,375 3.577,376 2.555,377 5.351,378 3.171,379 2.216,380 2.89,381 0.522,382 6.443,383 2.105,384 3.276,385 2.315,386 5.035,387 2.906,388 1.91,389 2.494,391 5.887,392 1.894,393 3.071,394 2.196,395 4.908,396 2.75,397 1.778,398 2.222,400 5.423,401 1.727,402 2.867,403 1.861,404 4.314,405 2.421,406 1.432,407 2.019,409 3.626,410 1.415,411 2.639,412 1.508,413 3.82,414 2.301,415 1.354,416 1.609,418 3.046,419 1.262,420 2.5,421 1.351,422 3.58,423 2,424 1,425 1.5,427 2.275,428 1,429 2.5,430 1.073,431 3.414,432 1.984,433 1,434 1.5,436 2.261,437 0.983,438 2.079,439 1,440 3.247,441 1.822,442 0.886,443 1.013,445 2.136,446 0.818,447 1.708,448 1,449 3.108,450 1.41,451 0.464,452 0.55,454 0.932,455 0.432,456 1.471,457 0.99,458 2.833,459 1.211,460 0.361,461 0.39,463 0.489,464 0.304,465 1.31,466 0.487,467 2.76,468 1.012,469 0.05,470 0.061,472 0.126,473 0.048,474 13.733,475 0.474,476 0.657,477 0.023,478 37.75,479 1.302,480 19.5,481 0.672,482 18.25,483 0.629,484 23.462,485 0.809,486 30.967,487 0.584,488 29.485,489 1.017,490 7.744,491 0.267,492 6.357,493 0.219,494 0.121,496 0.357,501 0.821,502 1.187,503 0.791,504 1.065,505 0.742,506 0.946,507 1.15,508 0.924,509 0.927,510 0.864,511 0.823,512 0.851,513 0.889,514 1.196,515 0.991,516 1.176,517 1.003,518 1.112,519 1.127,520 1.138,521 1.075,522 1.127,523 1.33,524 1.099,525 1.1,526 0.912,527 0.999,528 0.916,529 1.043,530 0.936,531 0.945,532 1.057,533 1.062,534 1.07,535 1.087,536 1.081,537 0.86,538 0.918,539 0.999,540 0.929,541 1.206,542 0.979,543 0.965,544 1.022,545 0.879,546 0.999,547 1.025,548 0.939,549 5.5,550 0.184,551 3.333,552 2.451,553 1.903,554 1.115,555 0.716,556 0.423,557 0.295,558 0.136,559 11405,560 28659,561 2.09,562 45.3,563 2,564 18,566 2,567 1,568 1,572 1.716,573 1.955,574 3.585,575 -0.405,576 1,577 1,582 75.502,583 1.425,584 3.419,585 4.468,586 4.93,587 5.02,588 5.058,589 3.099,590 4.582,591 4.825,592 3.756,593 1524.81,594 8.388,595 20836.3,597 1,599 1,600 303.58,601 1.416,602 4.788,603 0.172,604 0.008,605 0.074,606 0.051,607 0.044,608 0.028,609 0.02,610 0.015,611 0.011,612 0.006,613 0.43,614 0.5,615 1,616 0.828,617 148.508,618 -0.037,619 -0.09,620 0.049,621 -0.024,622 -0.075,623 0.017,624 -0.151,625 0.148,626 -0.009,627 0.134,628 -0.09,629 0.098,630 0.035,631 -0.17,632 -0.072,633 -0.171,634 -0.019,635 -0.144,636 -0.023,637 -0.154,638 -0.093,639 -0.148,640 0.017,641 -0.135,642 0.005,643 0.064,644 0.008,645 0.052,646 0.013,647 0.034,648 0.001,649 -0.072,650 -0.089,651 -0.088,652 -0.002,653 -0.1,654 0.152,655 0.042,656 0.016,657 0.035,658 0.027,659 0.006,660 -0.006,661 -0.074,662 0.122,663 -0.02,664 0.037,665 0.057,666 2.196,667 5.926,668 0.724,669 31.881,670 1.001,671 1.115,672 2.501,673 6.257,674 0.671,675 3.497,676 3.829,677 4.143,678 4.407,679 4.644,680 4.736,681 4.89,682 5.017,683 5.024,684 5.037,685 7.185,686 0.64,687 390.49,688 3.497,689 5.043,690 5.911,691 6.797,692 7.682,693 8.576,694 9.469,695 10.369,696 11.267,697 12.17,698 1.9,708 1,715 11,720 6,721 1,722 18,727 1,739 2,741 53,743 19,744 2,745 32,747 56,748 24,749 17,750 5,751 7,752 1,756 4,757 5,767 1,768 1,770 2,772 18,773 6,774 1,777 1,782 1,786 1,790 1,793 24,794 4,795 1,796 5,802 1,803 1,808 0.75,809 4,811 1,822 1,828 1,829 3,832 1,857 1,859 3,864 2,868 29,875 1,876 2,878 2,880 2,893 7.5,894 1,896 1,898 2,901 14.833,902 10.033,903 6.5,904 3.032,907 3.258,908 1.419,909 0.951,910 5.654,911 11.029,912 3.761,913 4.35,914 4.929,915 5.463,916 6.002,917 6.168,918 6.491,919 6.803,920 7.051,921 7.327,922 1,923 48,924 10.787,926 4.662,927 0.026,929 7.753,931 20.542,933 17.053,936 2.253,937 65.333,939 1,940 1,941 270.735,942 158.15,943 1.899,945 89.828,948 158.15,949 360.563,950 1.899,951 21.766,952 4.64,953 127.97,954 55.72,955 63.324,957 247.193,959 270.735,960 160.049,961 89.828,964 270.735,965 47.145,966 42.683,968 22.735,969 135.415,970 1.899,972 270.735,973 91.727,974 158.15,977 270.735,978 33.003,979 127.046,981 89.828,982 270.735,983 91.727,984 158.15,986 0.579,987 0.356,988 0.194,989 0.105,990 22,991 10,992 0.107,993 6,994 1,995 1.095,996 4.07,997 256.36,998 0.095,999 21,1000 132.881,1005 19.62,1006 8.357,1007 3.91,1009 89.828,1010 21.349,1015 4.537,1016 2.048,1017 42.683,1018 520.613,1019 42,1024 12.926,1028 -0.061,1031 53.072,1032 59.111,1034 0.249,1035 0.597,1036 0.78,1037 0.861,1038 0.876,1039 0.883,1040 5.001,1041 1.432,1042 5.9,1043 5.423,1044 4.511,1045 5.037,1046 2.19,1047 6.735,1048 4.457,1049 6.202,1050 1.354,1051 7.476,1052 3.626,1053 4.111,1054 4.783,1056 7.673,1057 4.043,1058 7.508,1059 1,1060 9.152,1061 3.046,1062 6.129,1063 7.194,1064 2.235,1065 10.791,1066 6.041,1067 8.85,1068 1,1069 10.885,1070 2.275,1071 6.567,1072 7.733,1074 12.552,1075 6.47,1076 10.223,1077 0.886,1078 12.656,1079 2.261,1080 8.042,1081 9.62,1082 2.464,1083 15.196,1084 7.937,1085 11.617,1086 0.464,1087 14.453,1088 2.136,1089 8.862,1090 10.536,1092 17.309,1093 8.756,1094 13.028,1095 0.361,1096 16.269,1097 0.932,1098 10.129,1099 12.19,1100 2.811,1101 19.795,1102 10.021,1103 3.275,1104 0.05,1105 18.099,1106 0.489,1107 11.128,1108 13.313,1110 22.068,1111 11.026,1112 2.891,1113 11.307,1114 19.942,1115 0.126,1116 12.317,1117 14.849,1118 3.226,1119 24.5,1120 12.218,1121 2.691,1122 9.472,1123 21.794,1124 4.177,1125 13.402,1126 16.09,1128 26.847,1129 13.311,1130 2.541,1131 8.436,1132 23.654,1133 3.726,1134 14.567,1135 17.565,1136 3.677,1137 29.264,1138 14.482,1139 2.216,1140 7.678,1141 25.522,1142 3.456,1143 15.693,1144 18.877,1146 31.646,1147 15.618,1148 1.91,1149 6.443,1150 27.396,1151 3.364,1152 16.853,1153 20.321,1154 4.146,1155 34.06,1156 16.786,1157 1.778,1158 5.887,1159 29.275,1160 2.89,1161 18.001,1162 21.676,1164 36.461,1165 17.943,1166 10841,1167 17295,1168 21.383,1169 35.58,1170 47.885,1171 49.528,1172 49.957,1173 47.603,1174 47.698,1175 61.944,1176 8.568,1177 139.072,1178 46.224,1179 5.448,1180 5.84,1181 6.649,1182 5.312,1183 5.275,1184 7.177,1185 2.555,1186 18.842,1187 5.281,1188 13.98,1189 1.496,1190 1.548,1191 1.561,1192 1.488,1193 1.491,1194 1.936,1195 0.268,1196 4.346,1197 1.445,1198 4.077,1199 4.102,1200 4.028,1201 3.994,1202 7.427,1203 3.999,1204 3.97,1205 4,1206 3.913,1207 3.882,1208 6.449,1209 3.883,1210 3.833,1211 3.865,1212 3.763,1213 3.757,1214 4.916,1215 3.756,1216 3.569,1217 3.592,1218 3.495,1219 3.397,1220 4.81,1221 3.415,1222 3.269,1223 3.322,1224 3.157,1225 3.078,1226 4.68,1227 3.085,1228 3.25,1229 3.315,1230 3.062,1231 2.963,1232 4.495,1233 2.973,1234 3.086,1235 3.161,1236 2.904,1237 2.889,1238 4.292,1239 2.881,1240 2.955,1241 2.996,1242 2.826,1243 2.777,1244 3.857,1245 2.771,1246 0.142,1247 0.12,1248 0.214,1249 0.134,1250 0.102,1251 4.549,1252 0.131,1253 3.84,1254 0.04,1255 6.847,1256 0.353,1257 4.276,1258 0.103,1259 3.275,1260 4.177,1261 1.277,1262 11.307,1263 3.281,1264 1.969,1265 1.934,1266 2.086,1267 2.101,1268 1.282,1269 2.098,1270 1.881,1271 1.872,1272 1.98,1273 1.978,1274 1.187,1275 1.97,1276 1.85,1277 1.822,1278 1.952,1279 1.943,1280 1.105,1281 1.956,1282 1.574,1283 1.537,1284 1.744,1285 1.751,1286 0.946,1287 1.749,1288 1.234,1289 1.185,1290 1.575,1291 1.522,1292 0.64,1293 1.538,1294 1.199,1295 1.138,1296 1.566,1297 1.521,1298 0.579,1299 1.533,1300 1.172,1301 1.099,1302 1.431,1303 1.371,1304 0.574,1305 1.39,1306 0.886,1307 0.823,1308 1.181,1309 1.146,1310 0.345,1311 1.151,1312 4.174,1314 5.501,1315 2.398,1316 7.033,1317 4.844,1318 8.651,1319 7.034,1320 10.315,1322 3.118,1327 10.904,1328 1.235,1330 10.647,1332 -1.37,1340 33.939,1341 75.502,1342 181.222,1343 236.786,1344 261.315,1345 266.07,1346 268.07,1347 57.755,1348 7.771,1349 59.64,1350 59.64,1351 23,1352 12.691,1353 4.322,1354 3.459,1355 44.942,1356 124,1357 131,1358 0.177,1359 206.382,1360 362.7,1361 495.332,1362 26008,1364 20.38,1365 0.703,1366 0.572,1367 20.38,1368 16.592,1369 14.101,1370 0.441,1371 0.303,1372 9.557,1373 13.565,1374 9.289,1375 7.709,1376 14.101,1377 9.703,1378 12.37,1379 0.275,1380 0.164,1381 12.37,1382 7.388,1383 11.129,1384 0.179,1385 0.09,1386 11.129,1387 5.605,1388 9.174,1389 0.113,1390 0.049,1391 9.174,1392 4,1393 7.411,1394 0.072,1395 0.027,1396 7.411,1397 2.807,1398 0.281,1399 88.603,1400 0.216,1401 27.79,1402 0.474,1403 154,1404 433.689,1405 166.046,1406 412.651,1407 560.93,1408 388,1409 184,1410 401.254,1411 197.406,1412 410.702,1413 599.78,1414 384,1415 5.726}
{0 CHEMBL87959,1 1.449,2 15.545,3 4.296,4 18.455,5 132.802,6 6.995,7 0.444,8 4.278,9 4.389,10 3.833,11 3.827,12 5.263,13 3.77,14 4.869,15 5.049,16 4.2,17 4.247,18 5.757,19 4.163,20 5.141,21 5.343,22 4.268,23 4.43,24 6.018,25 4.299,26 5.284,27 5.534,28 4.145,29 4.43,30 6.071,31 4.255,32 5.269,33 5.548,34 4.056,35 4.312,36 6.031,37 4.142,38 5.058,39 5.294,40 4.007,41 4.264,42 5.921,43 4.101,44 5.043,45 5.277,46 3.959,47 4.274,48 5.919,49 4.086,50 5.028,51 5.278,52 3.86,53 4.208,54 5.829,55 4.035,56 0.033,57 0.899,58 15.995,59 7.135,60 9.792,61 9.101,62 0.302,63 1.525,64 31.742,65 11.916,66 24.188,67 15.263,68 0.51,69 1.929,70 43.535,71 16.377,72 40.76,73 21.164,74 0.374,75 2.115,76 50.871,77 18.954,78 45.921,79 25.016,80 0.574,81 1.988,82 51.38,83 17.546,84 54.298,85 23.289,86 0.383,87 1.736,88 41.84,89 15.119,90 44.975,91 19.44,92 0.54,93 1.74,94 42.674,95 15.77,96 55.718,97 20.299,98 0.294,99 1.667,100 39.457,101 14.678,102 36.386,103 19.678,104 21,105 50,106 0.23,107 0.51,108 0.735,109 0.813,110 0.824,111 0.829,112 3.531,113 1.057,114 -1.08,115 -1.18,116 -1.26,121 40.3,123 4,124 1,126 3,127 4,144 8,145 1,146 3,154 2,159 1,176 10,180 5,187 13,189 2,191 1,192 8,194 1,200 9,203 1,206 6,214 3,216 1,219 8,227 5,229 3,232 1,239 7,241 2,243 2,244 3,246 1,251 8,253 1,256 3,264 10,266 2,269 2,277 6,279 1,281 2032,282 22.463,283 22.463,284 22.463,285 22.463,286 22.463,287 20.511,288 22.891,289 13.158,290 23.227,291 17.626,292 17.626,293 17.626,294 17.626,295 17.626,296 14.492,297 24.876,298 6.082,299 18.689,300 4.617,301 2.854,302 1.433,303 0.941,304 0.87,305 0.84,306 4.226,312 1,313 1106,314 4.062,317 85.187,318 364.004,321 161.42,325 2.59,326 24.888,329 1,330 0.67,331 0.83,332 1,333 1,334 1,335 1,336 0.93,337 70.5,338 513,339 4.565,340 3.642,341 6.972,342 4.193,343 3.28,344 4.502,345 1.277,346 11.778,347 2.999,348 4.28,349 3.611,350 6.437,351 4.066,352 3.12,353 3.574,354 1.2,355 10.099,356 2.948,357 4.081,358 3.24,359 6.068,360 3.709,361 2.747,362 3.446,363 0.86,364 8.762,365 2.652,366 3.894,367 2.861,368 5.708,369 3.465,370 2.518,371 3.277,372 0.86,373 7.471,374 2.385,375 3.707,376 2.715,377 5.34,378 3.408,379 2.43,380 3.047,381 0.86,382 6.965,383 2.36,384 3.378,385 2.404,386 5.3,387 3.248,388 2.264,389 2.471,391 6.826,392 2.202,393 3.178,394 2.215,395 4.717,396 2.698,397 1.771,398 2.391,400 5.118,401 1.628,402 2.939,403 1.808,404 4.119,405 2.517,406 1.564,407 2.106,409 3.505,410 1.481,411 2.691,412 1.653,413 3.943,414 2.26,415 1.297,416 1.691,418 3.259,419 1.227,420 2.5,421 1.427,422 3.808,423 2.054,424 1.136,425 1.5,427 2.841,428 1.038,429 2.399,430 1.327,431 3.802,432 2,433 1.105,434 1.376,436 2.454,437 1,438 2.234,439 1.11,440 3.571,441 1.984,442 1,443 1.214,445 2.372,446 0.983,447 2,448 1.077,449 3.247,450 1.983,451 1,452 1,454 2.136,455 0.945,456 1.771,457 1.001,458 3.088,459 1.581,460 0.573,461 0.645,463 1.32,464 0.568,465 1.554,466 1,467 2.887,468 1.209,469 0.36,470 0.392,472 0.488,473 0.303,474 16.067,475 0.487,476 0.766,477 0.023,478 37.75,479 1.144,480 17,481 0.515,482 20.75,483 0.629,484 34.267,485 1.038,486 37.033,487 0.553,488 27.027,489 0.819,490 7.187,491 0.218,492 8.805,493 0.267,494 0.114,495 0.025,496 0.249,501 0.807,502 1.333,503 0.821,504 1.126,505 0.608,506 1.06,507 1.284,508 0.896,509 0.922,510 0.821,511 0.728,512 0.853,513 0.938,514 1.064,515 1.057,516 1.088,517 0.906,518 1.088,519 0.825,520 1.124,521 0.985,522 1.126,523 0.926,524 1.093,525 1.124,526 0.822,527 0.857,528 0.807,529 0.929,530 0.807,531 1.08,532 1.028,533 1.158,534 1.057,535 1.636,536 1.026,537 0.595,538 1.124,539 1.29,540 1.247,541 1.066,542 1.15,543 0.751,544 1.094,545 1.042,546 1.12,547 0.814,548 1.076,549 7.5,550 0.196,551 3.778,552 1.792,553 1.854,554 1.16,555 0.724,556 0.444,557 0.311,558 0.218,559 18363,560 42827,561 2.072,562 50.7,563 3,564 25,568 2,569 4,572 1.745,573 1.951,574 3.895,575 -0.811,582 97.072,583 1.449,584 3.212,585 4.633,586 5.125,587 5.196,588 5.226,589 3.392,590 4.378,591 5.014,592 4.104,593 2167.13,594 8.739,595 35123.8,600 406.428,601 1.455,602 4.975,603 0.208,604 0.008,605 0.076,606 0.036,607 0.044,608 0.03,609 0.019,610 0.012,611 0.009,612 0.008,613 0.449,614 0.33,615 0.88,616 0.767,617 180.66,618 0.017,619 -0.163,620 0.088,621 -0.051,622 0.021,623 -0.01,624 -0.146,625 0.216,626 0.069,627 0.187,628 0.018,629 0.131,630 0.042,631 -0.012,632 -0.05,633 -0.059,634 0.035,635 -0.088,636 0.015,637 -0.157,638 -0.012,639 -0.136,640 0.005,641 -0.096,642 -0.043,643 0.102,644 0.126,645 0.128,646 0.024,647 0.151,648 -0.106,649 -0.01,650 -0.077,651 -0.015,652 -0.139,653 -0.033,654 0.168,655 -0.091,656 -0.143,657 -0.134,658 0.067,659 -0.125,660 -0.009,661 -0.114,662 -0.065,663 -0.114,664 0.023,665 -0.069,666 1.423,667 5.897,668 0.636,669 43.607,670 0.994,671 1.121,672 -0.152,673 0.023,674 0.657,675 3.611,676 3.932,677 4.174,678 4.382,679 4.615,680 4.663,681 4.727,682 4.852,683 4.836,684 4.804,685 9.043,686 0.608,687 468.69,688 3.611,689 5.153,690 5.994,691 6.866,692 7.724,693 8.6,694 9.467,695 10.346,696 11.217,697 12.098,698 1.5,712 1,714 2,715 8,719 1,720 4,722 16,727 1,739 3,741 67,743 17,744 2,745 36,747 70,748 27,749 14,750 5,751 7,752 1,756 4,757 5,767 2,768 1,770 4,772 15,773 12,774 1,777 1,782 1,786 1,793 34,794 4,796 6,797 1,802 1,803 1,807 1,808 0.75,809 4,828 1,829 3,832 1,859 3,862 1,864 3,868 33,876 8,878 3,880 1,883 1,888 1,893 6,896 1,898 3,901 16.917,902 12.833,903 7.375,904 4.215,907 2.746,908 1.347,909 0.945,910 8.051,911 10.665,912 3.829,913 4.391,914 4.935,915 5.477,916 6.008,917 6.297,918 6.627,919 6.98,920 6.899,921 6.784,922 1,923 50,924 12.269,926 5.121,927 0.026,929 7.556,931 24.135,933 20.051,936 2.056,937 67.833,941 400.217,942 183.839,945 58.145,947 31.278,948 152.561,949 458.362,951 30.162,952 21.048,953 75.81,954 30.278,955 51.303,956 2.104,957 431.495,959 400.217,960 152.561,961 58.145,962 31.278,964 353.133,965 105.229,968 21.048,969 131.513,971 31.278,972 400.217,973 58.145,974 183.839,977 400.217,978 77.866,979 105.972,981 58.145,982 400.217,983 58.145,984 183.839,986 0.578,987 0.339,988 0.173,989 0.096,990 23,991 10,992 0.143,993 10,994 1,995 1.095,996 4.566,997 288.165,998 0.095,999 21,1000 155.71,1001 1,1005 24.185,1006 10.985,1007 6.142,1008 2.087,1009 58.145,1010 15.923,1014 1.546,1015 3.16,1018 642.201,1019 45,1024 12.897,1028 0.244,1031 66.567,1032 75.107,1034 0.239,1035 0.529,1036 0.764,1037 0.845,1038 0.857,1039 0.862,1040 5.075,1041 1.564,1042 5.994,1043 5.118,1044 4.615,1045 5.078,1046 2.363,1047 6.81,1048 4.506,1049 6.271,1050 1.297,1051 7.563,1052 3.505,1053 4.29,1054 4.924,1055 0.931,1056 7.936,1057 4.103,1058 7.584,1059 1.136,1060 9.238,1061 3.259,1062 6.263,1063 7.255,1064 2.465,1065 10.909,1066 6.042,1067 8.932,1068 1.105,1069 10.978,1070 2.841,1071 6.77,1072 7.934,1073 1.241,1074 12.857,1075 6.445,1076 10.313,1077 1,1078 12.76,1079 2.454,1080 8.218,1081 9.764,1082 2.716,1083 15.413,1084 7.863,1085 11.716,1086 1,1087 14.572,1088 2.372,1089 9.083,1090 10.838,1091 1.521,1092 17.664,1093 8.616,1094 13.134,1095 0.573,1096 16.404,1097 2.136,1098 10.34,1099 12.469,1100 3.058,1101 20.119,1102 9.831,1103 3.28,1104 0.36,1105 18.253,1106 1.32,1107 11.367,1108 13.749,1109 1.818,1110 22.486,1111 10.75,1112 3.12,1113 11.778,1114 20.114,1115 0.488,1116 12.555,1117 15.297,1118 3.455,1119 24.922,1120 11.881,1121 2.747,1122 10.099,1123 21.985,1124 4.502,1125 13.655,1126 16.685,1127 2.132,1128 27.336,1129 12.88,1130 2.518,1131 8.762,1132 23.865,1133 3.574,1134 14.822,1135 18.2,1136 3.885,1137 29.774,1138 13.977,1139 2.43,1140 7.471,1141 25.752,1142 3.446,1143 15.956,1144 19.645,1145 2.46,1146 32.209,1147 15.017,1148 2.264,1149 6.965,1150 27.645,1151 3.277,1152 17.119,1153 21.148,1154 4.334,1155 34.654,1156 16.102,1157 1.771,1158 6.826,1159 29.543,1160 3.047,1161 18.27,1162 22.622,1163 2.798,1164 37.1,1165 17.163,1166 17392,1167 26782,1168 24.038,1169 44.034,1170 53.313,1171 54.758,1172 54.897,1173 52.847,1174 52.877,1175 65.96,1176 10.115,1177 151.86,1178 49.92,1179 5.565,1180 5.642,1181 6.774,1182 5.31,1183 5.28,1184 7.502,1185 2.555,1186 18.532,1187 4.999,1188 15.733,1189 1.481,1190 1.521,1191 1.525,1192 1.468,1193 1.469,1194 1.832,1195 0.281,1196 4.218,1197 1.387,1198 4.098,1199 4.106,1200 4.339,1201 4.111,1202 7.427,1203 4.062,1204 3.979,1205 4.033,1206 3.878,1207 3.838,1208 4.97,1209 3.838,1210 3.874,1211 3.904,1212 3.794,1213 3.785,1214 4.861,1215 3.78,1216 3.664,1217 3.708,1218 3.632,1219 3.513,1220 4.528,1221 3.517,1222 3.5,1223 3.53,1224 3.455,1225 3.356,1226 4.496,1227 3.345,1228 3.329,1229 3.381,1230 3.221,1231 3.142,1232 4.43,1233 3.135,1234 3.249,1235 3.314,1236 3.077,1237 2.967,1238 4.279,1239 2.97,1240 3.174,1241 3.246,1242 3.011,1243 2.941,1244 3.957,1245 2.938,1246 0.127,1247 0.101,1248 0.194,1249 0.116,1250 0.091,1251 4.565,1252 0.125,1253 3.642,1254 0.035,1255 6.972,1256 0.327,1257 4.193,1258 0.083,1259 3.28,1260 4.502,1261 1.277,1262 11.778,1263 2.999,1264 1.937,1265 1.903,1266 2.135,1267 2.13,1268 1.543,1269 2.136,1270 1.908,1271 1.88,1272 1.999,1273 1.987,1274 1.207,1275 1.984,1276 1.869,1277 1.841,1278 1.964,1279 1.971,1280 1.14,1281 1.98,1282 1.671,1283 1.642,1284 1.861,1285 1.837,1286 1.045,1287 1.853,1288 1.478,1289 1.436,1290 1.664,1291 1.636,1292 0.944,1293 1.656,1294 1.261,1295 1.204,1296 1.578,1297 1.526,1298 0.825,1299 1.542,1300 1.216,1301 1.169,1302 1.57,1303 1.51,1304 0.716,1305 1.531,1306 1.182,1307 1.104,1308 1.517,1309 1.444,1310 0.613,1311 1.477,1312 4.29,1314 5.609,1315 2.398,1316 7.12,1317 4.727,1318 8.714,1319 6.843,1320 10.351,1322 5.593,1328 8.012,1330 16.69,1332 0.629,1335 1.053,1340 40.76,1341 97.072,1342 215.197,1343 310.389,1344 343.408,1345 348.163,1346 350.163,1347 62.55,1348 7.919,1349 44.76,1350 73,1351 23,1352 12.635,1353 4.17,1354 3.322,1355 54.904,1356 182,1357 175,1358 0.145,1359 252.145,1360 438.39,1361 606.993,1362 35589,1364 23.261,1365 0.705,1366 0.628,1367 23.614,1368 20.711,1369 15.992,1370 0.444,1371 0.352,1372 11.75,1373 14.893,1374 11.328,1375 9.421,1376 16.401,1377 12.678,1378 14.265,1379 0.285,1380 0.211,1381 14.907,1382 10.567,1383 12.069,1384 0.189,1385 0.129,1386 12.906,1387 8.246,1388 9.404,1389 0.119,1390 0.074,1391 10.277,1392 5.848,1393 7.75,1394 0.077,1395 0.045,1396 8.56,1397 4.46,1398 0.239,1399 104.534,1400 0.204,1401 31.691,1402 0.367,1403 172,1404 456.135,1405 211.469,1406 449.006,1407 612.04,1408 424,1409 200,1410 424.897,1411 239.064,1412 447.121,1413 650.15,1414 418,1415 6.409}
{0 CHEMBL87980,1 1.52,2 12.385,3 4.414,4 19.484,5 106.575,6 7.677,7 0.571,8 3.951,9 4.049,10 3.593,11 3.55,12 5.061,13 3.497,14 4.466,15 4.623,16 3.942,17 3.923,18 5.482,19 3.845,20 4.629,21 4.789,22 4.016,23 4.043,24 5.697,25 3.941,26 4.72,27 4.908,28 3.905,29 4.034,30 5.735,31 3.906,32 4.714,33 4.937,34 3.8,35 3.938,36 5.698,37 3.8,38 4.568,39 4.779,40 3.67,41 3.853,42 5.588,43 3.694,44 4.487,45 4.717,46 3.548,47 3.733,48 5.496,49 3.554,50 4.286,51 4.494,52 3.414,53 3.558,54 5.268,55 3.443,56 0.005,57 0.622,58 10.035,59 4.887,60 8.199,61 5.907,62 0.187,63 1.021,64 20.023,65 8.075,66 19.273,67 9.534,68 0.283,69 1.192,70 25.515,71 10.092,72 30.697,73 11.954,74 0.207,75 1.275,76 28.855,77 11.251,78 32.921,79 13.523,80 0.274,81 1.239,82 29.644,83 11.004,84 37.409,85 13.469,86 0.19,87 1.1,88 25.821,89 9.921,90 34.922,91 11.943,92 0.41,93 1.012,94 26.246,95 9.586,96 44.582,97 11.701,98 0.149,99 0.818,100 18.688,101 6.977,102 21.085,103 8.755,104 27,105 38,106 0.257,107 0.6,108 0.765,109 0.82,110 0.827,111 0.834,112 3.303,113 1,114 -3.95,115 -3.9,116 -3.7,121 43.8,123 2,126 2,127 1,136 1,137 1,144 5,145 2,146 2,147 2,154 2,159 1,176 7,180 3,187 9,189 3,191 1,192 6,200 7,203 2,206 5,214 5,216 1,219 6,227 8,229 1,239 9,243 2,244 2,246 1,251 6,256 2,264 5,266 2,269 3,279 1,281 1042,282 17.85,283 17.85,284 17.85,285 17.85,286 17.85,287 15.796,288 20.112,289 10.555,290 18.443,291 13.657,292 13.657,293 13.657,294 13.657,295 13.657,296 10.284,297 21.975,298 4.775,299 14.44,300 4.065,301 2.039,302 1.065,303 0.74,304 0.698,305 0.656,306 3.986,311 1,312 1,313 680,314 3.536,317 61.136,318 170.435,321 115.784,325 1.953,326 20.348,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 55.5,338 322,339 4.565,340 3.615,341 6.437,342 4.067,343 3.12,344 4.502,345 1.277,346 10.099,347 2.95,348 4.091,349 3.241,350 6.068,351 3.719,352 2.754,353 3.643,354 0.86,355 8.762,356 2.671,357 4.031,358 2.818,359 5.709,360 3.602,361 2.646,362 3.57,363 0.86,364 7.512,365 2.533,366 3.702,367 2.712,368 5.486,369 3.306,370 2.34,371 3.048,372 0.522,373 7.318,374 2.234,375 3.487,376 2.473,377 5.125,378 3.131,379 2.169,380 2.772,382 6.353,383 2.069,384 3.178,385 2.215,386 4.717,387 2.698,388 1.771,389 2.471,391 5.118,392 1.628,393 2.714,394 1.654,395 4.114,396 2.267,397 1.302,398 1.718,400 3.49,401 1.238,402 2.649,403 1.475,404 3.943,405 2.083,406 1.136,407 1.517,409 2.841,410 1.076,411 2.5,412 1.427,413 3.414,414 1.984,415 1.098,416 1.5,418 2.275,419 0.983,420 2.399,421 1.062,422 3.236,423 1.982,424 1,425 1.376,427 1.964,428 0.945,429 1.836,430 1,431 2.958,432 1.515,433 0.501,434 0.623,436 1.074,437 0.5,438 1.554,439 1,440 2.887,441 1.208,442 0.355,443 0.39,445 0.483,446 0.3,447 1.485,448 0.518,449 2.735,450 1.121,451 0.241,452 0.311,454 0.458,455 0.209,456 1.249,457 0.258,458 2.403,459 0.818,460 -0.171,461 -0.228,463 -0.308,464 -0.168,465 0.772,466 -0.285,467 2.289,468 0.295,469 -0.66,470 -0.869,472 -1.413,473 -0.615,474 12.733,475 0.49,476 0.533,477 0.021,478 32.5,479 1.25,480 16.5,481 0.635,482 16,483 0.615,484 21.174,485 0.814,486 27.767,487 0.578,488 23.399,489 0.9,490 6.617,491 0.255,492 6.021,493 0.232,494 0.144,496 0.306,501 0.769,502 1.2,503 0.755,504 1.009,505 0.643,506 0.959,507 1.253,508 0.842,509 0.87,510 0.759,511 0.784,512 0.776,513 0.93,514 1.059,515 1.059,516 1.095,517 1.067,518 1.027,519 1.004,520 1.144,521 1.132,522 1.206,523 1.194,524 1.142,525 1.076,526 0.966,527 0.989,528 1.005,529 0.886,530 0.975,531 0.986,532 1.063,533 1.187,534 1.14,535 1.558,536 1.091,537 0.486,538 0.994,539 1.234,540 1.169,541 0.872,542 1.025,543 0.991,544 1.079,545 0.994,546 1.067,547 0.956,548 1,549 5.5,550 0.134,551 2.889,552 1.417,553 1.592,554 0.903,555 0.521,556 0.334,557 0.184,558 0.136,559 8393,560 21798,561 2.037,562 45.8,563 2,564 16,566 2,568 2,572 1.685,573 1.902,574 3.585,575 -0.798,577 1,582 72.977,583 1.52,584 3.546,585 4.52,586 4.845,587 4.887,588 4.929,589 3.094,590 3.902,591 4.668,592 3.738,593 1214.9,594 8.061,595 15727.3,597 1,599 1,600 268.078,601 1.42,602 4.628,603 0.196,604 0.007,605 0.076,606 0.036,607 0.047,608 0.03,609 0.02,610 0.015,611 0.008,612 0.007,613 0.443,614 0.33,615 1,616 1.137,617 129.715,618 0.003,619 -0.134,620 0.076,621 -0.033,622 -0.038,623 -0.009,624 -0.154,625 0.217,626 0.099,627 0.23,628 -0.06,629 0.168,630 0.062,631 -0.024,632 -0.02,633 -0.05,634 -0.026,635 -0.057,636 -0.052,637 -0.154,638 -0.106,639 -0.178,640 -0.095,641 -0.158,642 -0.049,643 -0.004,644 0.027,645 -0.01,646 0.044,647 0.011,648 -0.078,649 -0.071,650 -0.091,651 -0.078,652 -0.096,653 -0.091,654 0.361,655 -0.003,656 -0.021,657 -0.042,658 0.238,659 0.004,660 -0.035,661 -0.111,662 -0.022,663 -0.083,664 0.014,665 -0.016,666 1.507,667 5.595,668 0.577,669 26.71,670 0.999,671 1.113,672 2.718,673 7.388,674 0.688,675 3.367,676 3.664,677 3.932,678 4.159,679 4.382,680 4.454,681 4.533,682 4.625,683 4.543,684 4.454,685 7.069,686 0.643,687 368.51,688 3.367,689 4.89,690 5.733,691 6.6,692 7.465,693 8.338,694 9.211,695 10.089,696 10.967,697 11.848,698 2.1,708 1,714 2,715 7,719 1,720 4,721 1,722 16,727 1,739 2,741 48,743 18,744 1,745 28,747 50,748 21,749 13,750 4,751 2,752 1,756 3,757 4,770 2,772 16,773 5,777 2,778 1,782 1,784 1,786 1,790 1,793 22,794 3,796 5,797 1,802 1,803 1,808 0.667,809 3,822 1,828 1,829 2,832 1,848 1,849 1,859 2,862 1,864 2,868 26,876 3,878 2,888 1,893 6.3,896 1,898 2,901 13.667,902 9.333,903 6,904 2.743,907 3.094,908 1.429,909 0.969,910 6.173,911 10.308,912 3.664,913 4.259,914 4.865,915 5.457,916 6.021,917 6.346,918 6.684,919 7.039,920 6.995,921 6.994,922 1,923 39,924 9.595,926 3.944,927 0.026,929 7.692,931 18.413,933 14.697,936 2.192,937 57,940 1,941 258.964,942 174.421,943 1.899,945 47.145,947 31.278,948 143.143,949 306.109,950 1.899,951 21.766,952 22.942,953 56.857,954 55.72,955 56.34,956 2.104,957 266.7,959 258.964,960 145.042,961 47.145,962 31.278,964 258.964,965 47.145,968 25.27,969 108.397,970 11.375,971 31.278,972 258.964,973 49.044,974 174.421,977 258.964,978 61.936,979 98.618,981 62.912,982 258.964,983 49.044,984 174.421,986 0.566,987 0.342,988 0.183,989 0.101,990 17,991 8,992 0.16,993 8,994 1,995 1.133,996 3.851,997 207.26,998 0.133,999 15,1000 118.211,1001 1,1005 18.743,1006 8.563,1007 4.395,1008 2.025,1009 47.145,1010 13.906,1014 1.498,1015 3.281,1016 2.047,1018 482.429,1019 38,1020 3.731,1024 12.595,1026 1.856,1028 0.159,1031 47.938,1032 53.406,1034 0.272,1035 0.635,1036 0.809,1037 0.868,1038 0.875,1039 0.882,1040 4.875,1041 1.136,1042 5.707,1043 3.49,1044 4.344,1045 4.945,1046 2.05,1047 6.497,1048 4.243,1049 6.082,1050 1.098,1051 7.255,1052 2.841,1053 3.892,1054 4.796,1056 7.345,1057 3.751,1058 7.39,1059 1,1060 8.898,1061 2.275,1062 5.922,1063 7.19,1064 2.159,1065 10.402,1066 5.734,1067 8.736,1068 0.501,1069 10.595,1070 1.964,1071 6.293,1072 7.879,1074 12.045,1075 6.05,1076 10.114,1077 0.355,1078 12.326,1079 1.074,1080 7.768,1081 9.739,1082 2.429,1083 14.606,1084 7.491,1085 11.513,1086 0.241,1087 14.08,1088 0.483,1089 8.517,1090 10.824,1092 16.59,1093 8.174,1094 12.93,1095 -0.171,1096 15.849,1097 0.458,1098 9.768,1099 12.468,1100 2.797,1101 18.978,1102 9.393,1103 3.12,1104 -0.66,1105 17.63,1106 -0.308,1107 10.701,1108 13.756,1110 21.123,1111 10.257,1112 2.754,1113 10.099,1114 19.421,1115 -1.413,1116 11.861,1117 15.308,1118 3.221,1119 23.447,1120 11.379,1121 2.646,1122 8.762,1123 21.219,1124 4.502,1125 12.885,1126 16.7,1128 25.669,1129 12.335,1130 2.34,1131 7.512,1132 23.024,1133 3.643,1134 14.011,1135 18.216,1136 3.675,1137 27.973,1138 13.416,1139 2.169,1140 7.318,1141 24.834,1142 3.57,1143 15.081,1144 19.661,1146 30.234,1147 14.422,1148 1.771,1149 6.353,1150 26.649,1151 3.048,1152 16.197,1153 21.163,1154 4.146,1155 32.533,1156 15.487,1157 1.302,1158 5.118,1159 28.468,1160 2.772,1161 17.292,1162 22.636,1164 34.814,1165 16.519,1166 8262,1167 13469,1168 18.493,1169 33.012,1170 41.097,1171 42.727,1172 43.085,1173 40.756,1174 40.864,1175 54.883,1176 7.038,1177 115.492,1178 38.668,1179 5.438,1180 5.615,1181 6.207,1182 5.184,1183 5.12,1184 7.502,1185 2.555,1186 16.854,1187 4.95,1188 13.55,1189 1.468,1190 1.526,1191 1.539,1192 1.456,1193 1.459,1194 1.96,1195 0.251,1196 4.125,1197 1.381,1198 4.096,1199 4.098,1200 4.339,1201 4.111,1202 7.427,1203 4.061,1204 3.97,1205 4.014,1206 3.907,1207 3.855,1208 4.969,1209 3.86,1210 3.643,1211 3.677,1212 3.63,1213 3.507,1214 4.824,1215 3.509,1216 3.502,1217 3.538,1218 3.434,1219 3.394,1220 4.633,1221 3.38,1222 3.355,1223 3.403,1224 3.275,1225 3.196,1226 4.527,1227 3.185,1228 3.249,1229 3.314,1230 3.077,1231 2.967,1232 4.496,1233 2.97,1234 3.066,1235 3.137,1236 2.919,1237 2.855,1238 3.921,1239 2.851,1240 2.891,1241 2.962,1242 2.875,1243 2.772,1244 3.753,1245 2.726,1246 0.163,1247 0.129,1248 0.23,1249 0.145,1250 0.111,1251 4.565,1252 0.161,1253 3.615,1254 0.046,1255 6.437,1256 0.361,1257 4.067,1258 0.105,1259 3.12,1260 4.502,1261 1.277,1262 10.099,1263 2.95,1264 1.937,1265 1.904,1266 2.066,1267 2.083,1268 1.256,1269 2.081,1270 1.908,1271 1.895,1272 1.963,1273 1.987,1274 1.14,1275 1.983,1276 1.654,1277 1.632,1278 1.831,1279 1.801,1280 1.024,1281 1.817,1282 1.51,1283 1.47,1284 1.679,1285 1.637,1286 0.758,1287 1.663,1288 1.273,1289 1.221,1290 1.578,1291 1.527,1292 0.612,1293 1.542,1294 1.214,1295 1.169,1296 1.569,1297 1.51,1298 0.579,1299 1.531,1300 1.174,1301 1.097,1302 1.378,1303 1.356,1304 0.566,1305 1.406,1306 0.886,1307 0.821,1308 1.199,1309 1.114,1310 0.218,1311 1.146,1312 4.043,1314 5.342,1315 2.398,1316 6.838,1317 4.727,1318 8.424,1319 6.843,1320 10.057,1322 3.225,1328 2.009,1330 10.668,1340 30.884,1341 72.977,1342 170.23,1343 216.959,1344 232.568,1345 234.568,1346 236.568,1347 44.889,1348 7.214,1349 39.41,1350 67.65,1351 17,1352 12.384,1353 4.248,1354 3.459,1355 44.692,1356 110,1357 126,1358 0.199,1359 195.061,1360 335.52,1361 467.708,1362 13010,1364 18.518,1365 0.712,1366 0.611,1367 18.872,1368 15.897,1369 12.639,1370 0.451,1371 0.333,1372 8.461,1373 11.706,1374 8.113,1375 6.786,1376 13.047,1377 9.334,1378 10.79,1379 0.284,1380 0.189,1381 11.432,1382 7.172,1383 9.302,1384 0.186,1385 0.11,1386 10.14,1387 5.48,1388 7.415,1389 0.118,1390 0.062,1391 8.287,1392 3.934,1393 6.016,1394 0.076,1395 0.035,1396 6.827,1397 2.752,1398 0.32,1399 83.336,1400 0.233,1401 25.574,1402 0.522,1403 132,1404 382.4,1405 167.565,1406 384.851,1407 523.04,1408 362,1409 154,1410 359.724,1411 188.52,1412 383.741,1413 556.91,1414 358,1415 5.523}
{0 CHEMBL88026,1 1.422,2 14.065,3 4.247,4 18.039,5 126.862,6 6.963,7 0.471,8 4.213,9 4.327,10 3.77,11 3.79,12 5.189,13 3.723,14 4.803,15 4.987,16 4.148,17 4.224,18 5.671,19 4.13,20 5.081,21 5.283,22 4.222,23 4.416,24 5.947,25 4.274,26 5.256,27 5.517,28 4.116,29 4.424,30 6.019,31 4.242,32 5.197,33 5.465,34 4.055,35 4.341,36 5.978,37 4.167,38 5.08,39 5.322,40 3.951,41 4.301,42 5.929,43 4.109,44 5.034,45 5.3,46 3.794,47 4.189,48 5.857,49 3.964,50 4.805,51 5.063,52 3.668,53 3.98,54 5.609,55 3.807,56 0.044,57 0.845,58 15.052,59 6.711,60 9.687,61 8.677,62 0.261,63 1.459,64 29.658,65 11.38,66 19.806,67 14.749,68 0.372,69 1.87,70 40.629,71 15.952,72 34.163,73 20.79,74 0.359,75 2.114,76 49.516,77 18.648,78 42.246,79 24.83,80 0.405,81 1.96,82 46.73,83 17.192,84 44.35,85 22.891,86 0.306,87 1.796,88 42.16,89 16.204,90 43.266,91 20.98,92 0.538,93 1.688,94 43.074,95 15.966,96 57.041,97 20.604,98 0.233,99 1.342,100 32.498,101 11.985,102 29.285,103 15.847,104 21,105 48,106 0.228,107 0.524,108 0.734,109 0.804,110 0.816,111 0.821,112 3.471,113 1.062,114 -1.4,115 -1.48,116 -1.53,121 41.3,123 4,124 1,126 3,127 3,144 8,145 2,146 2,154 2,159 1,176 12,180 3,187 15,189 3,191 1,192 6,200 10,203 3,206 5,214 5,216 3,219 6,227 10,229 2,239 14,243 2,244 2,246 1,251 11,256 2,264 9,266 2,269 3,277 3,279 1,281 1622,282 21.049,283 21.049,284 21.049,285 21.049,286 21.049,287 19.097,288 21.51,289 12.255,290 21.664,291 16.653,292 16.653,293 16.653,294 16.653,295 16.653,296 13.535,297 24.407,298 5.678,299 17.49,300 4.555,301 2.711,302 1.405,303 0.969,304 0.893,305 0.861,306 4.166,311 1,312 1,313 944,314 3.808,317 77.027,318 328.439,321 146.167,325 2.2,326 21.619,329 1,330 1,331 1,332 1,333 0.5,334 1,335 1,336 0.93,337 65.5,338 436,339 4.565,340 3.679,341 6.998,342 4.22,343 3.303,344 4.502,345 1.277,346 11.915,347 3.034,348 4.326,349 3.612,350 6.437,351 4.067,352 3.12,353 3.574,354 1.26,355 10.099,356 2.949,357 4.081,358 3.24,359 6.068,360 3.709,361 2.747,362 3.531,363 0.86,364 8.762,365 2.654,366 3.808,367 2.715,368 5.708,369 3.468,370 2.477,371 3.161,372 0.86,373 7.472,374 2.452,375 3.706,376 2.605,377 5.347,378 3.354,379 2.373,380 3.046,381 0.245,382 6.946,383 2.31,384 3.369,385 2.38,386 5.248,387 3.237,388 2.252,389 2.471,391 6.664,392 2.196,393 3.178,394 2.215,395 4.717,396 2.698,397 1.771,398 2.389,400 5.118,401 1.628,402 2.871,403 1.653,404 4.118,405 2.438,406 1.441,407 2.024,409 3.5,410 1.437,411 2.689,412 1.534,413 3.943,414 2.252,415 1.289,416 1.689,418 3.071,419 1.219,420 2.5,421 1.427,422 3.802,423 2,424 1.136,425 1.5,427 2.841,428 1,429 2.399,430 1.113,431 3.708,432 1.984,433 1,434 1.376,436 2.372,437 0.983,438 2,439 1.077,440 3.325,441 1.983,442 1,443 1,445 2.136,446 0.946,447 1.788,448 1.001,449 3.247,450 1.601,451 0.589,452 0.664,454 1.377,455 0.588,456 1.554,457 1,458 3.011,459 1.21,460 0.36,461 0.393,463 0.489,464 0.303,465 1.485,466 0.518,467 2.887,468 1.122,469 0.241,470 0.311,472 0.458,473 0.209,474 15.233,475 0.491,476 0.766,477 0.025,478 35.75,479 1.153,480 16.5,481 0.532,482 19.25,483 0.621,484 31.836,485 1.027,486 34.267,487 0.544,488 25.19,489 0.813,490 6.745,491 0.218,492 8.247,493 0.266,494 0.12,495 0.026,496 0.263,501 0.783,502 1.284,503 0.824,504 1.078,505 0.587,506 1.037,507 1.251,508 0.859,509 0.906,510 0.789,511 0.681,512 0.835,513 0.799,514 1.167,515 1.055,516 1.153,517 0.858,518 1.145,519 0.777,520 1.042,521 0.94,522 1.035,523 0.884,524 1.012,525 0.933,526 0.899,527 0.873,528 0.897,529 0.855,530 0.897,531 0.917,532 1.082,533 1.159,534 1.137,535 1.564,536 1.121,537 0.533,538 1.03,539 1.215,540 1.168,541 1.035,542 1.067,543 0.826,544 1.048,545 1.035,546 1.088,547 0.874,548 0.988,549 7.5,550 0.241,551 3.556,552 2.042,553 2.094,554 0.952,555 0.681,556 0.477,557 0.221,558 0.182,559 14829,560 32797,561 2.077,562 50.8,563 3,564 23,568 2,569 4,572 1.73,573 1.948,574 3.77,575 -0.831,577 1,582 89.602,583 1.422,584 3.266,585 4.572,586 5.009,587 5.084,588 5.116,589 3.244,590 4.156,591 4.926,592 3.952,593 1837.7,594 8.566,595 27660.2,597 1,600 376.569,601 1.501,602 4.881,603 0.221,604 0.01,605 0.074,606 0.043,607 0.05,608 0.024,609 0.019,610 0.016,611 0.008,612 0.007,613 0.472,614 0.33,615 1,616 0.796,617 164.915,618 0.027,619 -0.136,620 0.087,621 -0.027,622 0.023,623 0.003,624 -0.14,625 0.252,626 0.08,627 0.211,628 0.018,629 0.148,630 0.068,631 -0.119,632 -0.062,633 -0.124,634 0.042,635 -0.137,636 0.026,637 -0.071,638 0.027,639 -0.058,640 0.014,641 -0.022,642 -0.004,643 0.059,644 0.085,645 0.057,646 0.037,647 0.079,648 -0.067,649 -0.087,650 -0.114,651 -0.101,652 -0.137,653 -0.119,654 0.248,655 -0.055,656 -0.067,657 -0.083,658 0.103,659 -0.056,660 0.023,661 -0.08,662 -0.001,663 -0.069,664 0.075,665 0.01,666 1.411,667 5.878,668 0.677,669 35.923,670 0.99,671 1.119,672 0.167,673 0.028,674 0.664,675 3.555,676 3.892,677 4.143,678 4.382,679 4.625,680 4.663,681 4.745,682 4.883,683 4.82,684 4.771,685 8.21,686 0.611,687 438.66,688 3.555,689 5.106,690 5.953,691 6.836,692 7.702,693 8.588,694 9.462,695 10.35,696 11.227,697 12.117,698 1.6,712 1,714 2,715 8,719 1,720 4,722 16,727 1,739 2,741 63,743 17,744 2,745 34,747 66,748 26,749 14,750 5,751 7,752 1,756 4,757 5,767 2,768 1,770 4,772 15,773 11,774 1,777 1,782 1,786 1,790 1,793 32,794 3,796 5,797 1,802 1,803 1,807 1,808 0.75,809 3,828 1,829 3,832 1,859 3,862 1,864 3,868 31,876 7,878 2,880 1,883 1,888 1,893 4.8,896 1,898 2,901 15.917,902 12.167,903 6.875,904 3.965,907 2.801,908 1.358,909 0.955,910 6.978,911 10.627,912 3.784,913 4.366,914 4.921,915 5.486,916 6.025,917 6.317,918 6.656,919 7.017,920 6.915,921 6.793,922 1,923 48,924 11.528,926 4.843,927 0.026,929 7.527,931 22.784,933 19.166,936 2.027,937 62.833,940 1,941 376.675,942 177.188,945 47.145,947 31.278,948 145.911,949 423.82,951 30.162,952 16.455,953 75.81,954 30.278,955 38.245,956 2.104,957 407.953,959 376.675,960 145.911,961 47.145,962 31.278,964 329.591,965 94.229,968 16.455,969 129.456,971 31.278,972 376.675,973 47.145,974 177.188,977 376.675,978 71.216,979 105.972,981 47.145,982 376.675,983 47.145,984 177.188,986 0.581,987 0.342,988 0.179,989 0.102,990 23,991 10,992 0.121,993 8,994 1,995 1.095,996 4.325,997 271.076,998 0.095,999 21,1000 145.58,1001 1,1005 22.291,1006 9.705,1007 5.296,1008 2.102,1009 47.145,1010 16.695,1014 1.554,1015 3.655,1018 601.008,1019 43,1024 12.878,1028 0.256,1031 62.356,1032 70.482,1034 0.238,1035 0.546,1036 0.765,1037 0.838,1038 0.851,1039 0.856,1040 5.037,1041 1.441,1042 5.964,1043 5.118,1044 4.575,1045 5.053,1046 2.271,1047 6.797,1048 4.483,1049 6.244,1050 1.289,1051 7.542,1052 3.5,1053 4.29,1054 4.924,1055 0.931,1056 7.936,1057 4.122,1058 7.564,1059 1.136,1060 9.225,1061 3.071,1062 6.24,1063 7.247,1064 2.428,1065 10.927,1066 6.047,1067 8.919,1068 1,1069 10.971,1070 2.841,1071 6.77,1072 7.934,1073 1.381,1074 12.877,1075 6.471,1076 10.304,1077 1,1078 12.759,1079 2.372,1080 8.21,1081 9.763,1082 2.737,1083 15.454,1084 7.888,1085 11.71,1086 0.589,1087 14.575,1088 2.136,1089 9.091,1090 10.84,1091 1.783,1092 17.712,1093 8.655,1094 13.133,1095 0.36,1096 16.412,1097 1.377,1098 10.348,1099 12.473,1100 3.126,1101 20.184,1102 9.873,1103 3.303,1104 0.241,1105 18.264,1106 0.489,1107 11.387,1108 13.754,1109 2.192,1110 22.562,1111 10.802,1112 3.12,1113 11.915,1114 20.129,1115 0.458,1116 12.579,1117 15.302,1118 3.559,1119 25.013,1120 11.938,1121 2.747,1122 10.099,1123 22.005,1124 4.502,1125 13.689,1126 16.691,1127 2.615,1128 27.439,1129 12.947,1130 2.477,1131 8.762,1132 23.888,1133 3.574,1134 14.862,1135 18.206,1136 4.015,1137 29.892,1138 14.051,1139 2.373,1140 7.472,1141 25.779,1142 3.531,1143 16.005,1144 19.65,1145 3.05,1146 32.34,1147 15.099,1148 2.252,1149 6.946,1150 27.676,1151 3.161,1152 17.174,1153 21.153,1154 4.483,1155 34.799,1156 16.192,1157 1.771,1158 6.664,1159 29.579,1160 3.046,1161 18.334,1162 22.626,1163 3.495,1164 37.258,1165 17.262,1166 14042,1167 21122,1168 22.652,1169 41.819,1170 50.699,1171 52.034,1172 52.415,1173 50.25,1174 50.284,1175 63.356,1176 9.005,1177 146.656,1178 47.898,1179 5.565,1180 5.679,1181 6.8,1182 5.337,1183 5.303,1184 7.502,1185 2.555,1186 18.67,1187 5.034,1188 14.996,1189 1.491,1190 1.53,1191 1.542,1192 1.478,1193 1.479,1194 1.863,1195 0.265,1196 4.313,1197 1.409,1198 4.1,1199 4.113,1200 4.339,1201 4.111,1202 7.427,1203 4.062,1204 4.004,1205 4.048,1206 3.917,1207 3.894,1208 4.969,1209 3.891,1210 3.84,1211 3.88,1212 3.74,1213 3.748,1214 4.757,1215 3.74,1216 3.641,1217 3.679,1218 3.626,1219 3.494,1220 4.528,1221 3.498,1222 3.463,1223 3.5,1224 3.42,1225 3.312,1226 4.496,1227 3.301,1228 3.265,1229 3.325,1230 3.148,1231 3.073,1232 4.368,1233 3.07,1234 3.249,1235 3.314,1236 3.075,1237 2.967,1238 3.977,1239 2.97,1240 3.111,1241 3.206,1242 2.9,1243 2.941,1244 3.77,1245 2.91,1246 0.134,1247 0.108,1248 0.206,1249 0.124,1250 0.097,1251 4.565,1252 0.132,1253 3.679,1254 0.038,1255 6.998,1256 0.35,1257 4.22,1258 0.089,1259 3.303,1260 4.502,1261 1.277,1262 11.915,1263 3.034,1264 1.972,1265 1.925,1266 2.146,1267 2.14,1268 1.543,1269 2.146,1270 1.908,1271 1.903,1272 2.016,1273 1.988,1274 1.225,1275 1.985,1276 1.856,1277 1.815,1278 1.963,1279 1.956,1280 1.14,1281 1.977,1282 1.647,1283 1.623,1284 1.821,1285 1.807,1286 1.056,1287 1.82,1288 1.422,1289 1.372,1290 1.613,1291 1.586,1292 0.836,1293 1.606,1294 1.231,1295 1.18,1296 1.575,1297 1.522,1298 0.825,1299 1.538,1300 1.198,1301 1.13,1302 1.561,1303 1.498,1304 0.636,1305 1.525,1306 1.153,1307 1.072,1308 1.513,1309 1.376,1310 0.58,1311 1.429,1312 4.234,1314 5.565,1315 2.398,1316 7.088,1317 4.727,1318 8.694,1319 6.843,1320 10.343,1322 5.64,1328 7.516,1330 10.779,1332 0.653,1335 1.106,1340 38.518,1341 89.602,1342 205.775,1343 288.039,1344 315.549,1345 320.304,1346 322.304,1347 55.697,1348 7.825,1349 35.53,1350 63.77,1351 23,1352 12.648,1353 4.17,1354 3.322,1355 49.88,1356 156,1357 142,1358 0.155,1359 238.556,1360 412.3,1361 573.837,1362 30154,1364 21.847,1365 0.705,1366 0.632,1367 22.2,1368 19.595,1369 14.992,1370 0.441,1371 0.354,1372 11.144,1373 14.032,1374 10.707,1375 8.928,1376 15.401,1377 12.039,1378 13.577,1379 0.283,1380 0.215,1381 14.219,1382 10.318,1383 11.458,1384 0.185,1385 0.129,1386 12.295,1387 8.002,1388 9.153,1389 0.116,1390 0.075,1391 10.026,1392 5.931,1393 7.673,1394 0.076,1395 0.046,1396 8.484,1397 4.6,1398 0.253,1399 97.626,1400 0.21,1401 29.806,1402 0.4,1403 164,1404 404.4,1405 199.926,1406 407.593,1407 557.72,1408 384,1409 192,1410 387.442,1411 227.853,1412 413.948,1413 601.49,1414 386,1415 7.721}
{0 CHEMBL88049,1 1.391,2 15.727,3 5.16,4 26.621,5 136.064,6 6.764,7 0.444,8 4.295,9 4.413,10 3.822,11 3.866,12 5.246,13 3.795,14 4.892,15 5.082,16 4.189,17 4.299,18 5.732,19 4.196,20 5.18,21 5.395,22 4.261,23 4.489,24 6.009,25 4.337,26 5.339,27 5.607,28 4.159,29 4.495,30 6.079,31 4.307,32 5.285,33 5.559,34 4.084,35 4.421,36 6.031,37 4.235,38 5.187,39 5.446,40 3.933,41 4.382,42 5.943,43 4.171,44 5.157,45 5.448,46 3.786,47 4.251,48 5.901,49 4.022,50 4.929,51 5.195,52 3.736,53 4.064,54 5.742,55 3.886,56 0.058,57 0.925,58 16.878,59 7.422,60 10.645,61 9.738,62 0.272,63 1.59,64 32.745,65 12.594,66 20.921,67 16.607,68 0.403,69 2.044,70 45.017,71 17.573,72 36.795,73 23.258,74 0.381,75 2.275,76 53.201,77 20.095,78 43.015,79 27.036,80 0.43,81 2.122,82 50.319,83 18.653,84 47.507,85 25.119,86 0.301,87 1.986,88 46.315,89 18.009,90 40.095,91 23.891,92 0.488,93 1.857,94 45.165,95 17.081,96 51.582,97 23.077,98 0.301,99 1.465,100 34.499,101 12.963,102 37.766,103 17.305,104 21,105 50,106 0.219,107 0.501,108 0.721,109 0.815,110 0.826,111 0.83,112 3.531,113 1.087,114 -1.8,115 -1.86,116 -1.87,121 40.6,123 6,124 1,126 3,127 3,144 8,145 2,146 2,154 2,159 1,176 14,180 3,187 17,189 3,191 1,192 6,200 12,203 3,206 5,214 8,216 3,219 5,227 12,229 2,232 1,239 12,241 1,243 2,244 4,251 12,253 1,256 2,264 13,269 2,271 1,277 10,281 1966,282 22.463,283 22.463,284 22.463,285 22.463,286 22.463,287 20.511,288 21.51,289 13.241,290 23.078,291 17.653,292 17.653,293 17.653,294 17.653,295 17.653,296 14.535,297 24.407,298 6.153,299 18.49,300 4.717,301 2.931,302 1.54,303 0.942,304 0.873,305 0.844,306 4.226,312 1,313 1122,314 4.062,317 86.126,318 365.132,321 162.918,325 2.419,326 21.645,329 1,330 0.67,331 0.83,332 1,333 1,334 1,335 1,336 0.93,337 69.5,338 519,339 4.565,340 3.679,341 6.998,342 4.22,343 3.303,344 4.502,345 1.277,346 11.915,347 3.033,348 4.326,349 3.611,350 6.437,351 4.066,352 3.12,353 3.574,354 1.26,355 10.099,356 2.949,357 4.08,358 3.24,359 6.067,360 3.701,361 2.742,362 3.531,363 0.86,364 8.759,365 2.64,366 3.808,367 2.714,368 5.704,369 3.472,370 2.474,371 3.16,372 0.86,373 7.441,374 2.469,375 3.7,376 2.607,377 5.35,378 3.338,379 2.353,380 3.044,381 0.245,382 6.974,383 2.313,384 3.399,385 2.4,386 5.25,387 3.294,388 2.316,389 2.471,391 6.678,392 2.233,393 3.178,394 2.215,395 4.717,396 2.699,397 1.771,398 2.408,400 5.118,401 1.628,402 2.872,403 1.66,404 4.165,405 2.548,406 1.569,407 2.025,409 3.762,410 1.53,411 2.764,412 1.574,413 3.943,414 2.434,415 1.437,416 1.798,418 3.077,419 1.432,420 2.5,421 1.524,422 3.802,423 2.085,424 1.136,425 1.5,427 2.841,428 1.065,429 2.399,430 1.427,431 3.719,432 2,433 1.095,434 1.376,436 2.611,437 1,438 2.387,439 1.077,440 3.504,441 1.984,442 1,443 1.322,445 2.372,446 0.983,447 2,448 1.003,449 3.277,450 1.978,451 1,452 1,454 2.136,455 0.94,456 1.588,457 1,458 3.247,459 1.47,460 0.467,461 0.502,463 1.06,464 0.463,465 1.554,466 0.831,467 2.887,468 1.209,469 0.357,470 0.39,472 0.488,473 0.302,474 16.233,475 0.492,476 0.766,477 0.023,478 36.75,479 1.114,480 16.5,481 0.5,482 20.25,483 0.614,484 35.63,485 1.08,486 36.867,487 0.534,488 25.441,489 0.771,490 6.745,491 0.204,492 9.247,493 0.28,494 0.113,495 0.025,496 0.246,501 0.786,502 1.297,503 0.853,504 1.103,505 0.588,506 1.066,507 1.238,508 0.906,509 0.93,510 0.838,511 0.676,512 0.885,513 0.785,514 1.147,515 1.036,516 1.133,517 0.838,518 1.123,519 0.774,520 1.037,521 0.935,522 1.029,523 0.871,524 1.005,525 0.942,526 0.913,527 0.897,528 0.911,529 0.863,530 0.922,531 0.735,532 1.101,533 1.151,534 1.163,535 1.136,536 1.135,537 0.428,538 0.976,539 0.979,540 1.036,541 0.681,542 0.988,543 1.131,544 0.909,545 0.903,546 0.89,547 1.552,548 0.928,549 7.5,550 0.138,551 3.556,552 2.167,553 2.094,554 0.785,555 0.742,556 0.455,557 0.169,558 0.211,559 18739,560 39983,561 2.072,562 52.2,563 7,564 23,568 2,569 4,572 1.743,573 1.951,574 3.917,575 -0.841,582 96.01,583 1.391,584 3.178,585 4.569,586 5.166,587 5.235,588 5.264,589 3.377,590 4.317,591 5.018,592 4.117,593 2173.82,594 8.735,595 35682,600 421.488,601 1.455,602 4.975,603 0.208,604 0.005,605 0.071,606 0.043,607 0.048,608 0.019,609 0.021,610 0.015,611 0.006,612 0.008,613 0.445,614 0.33,615 0.88,616 0.767,617 181.296,618 0.033,619 -0.127,620 0.086,621 -0.025,622 0.033,623 0.004,624 -0.126,625 0.21,626 0.068,627 0.176,628 0.025,629 0.116,630 0.08,631 -0.1,632 -0.037,633 -0.101,634 0.056,635 -0.108,636 0.031,637 -0.064,638 0.031,639 -0.051,640 0.027,641 -0.017,642 -0.016,643 0.046,644 0.058,645 0.044,646 0.026,647 0.052,648 -0.037,649 -0.109,650 -0.127,651 -0.131,652 -0.08,653 -0.127,654 0.243,655 -0.03,656 0.018,657 -0.044,658 0.187,659 0.002,660 -0.055,661 0.04,662 0.038,663 0.052,664 -0.046,665 0.039,666 1.412,667 5.778,668 0.636,669 40.905,670 0.987,671 1.12,672 0.566,673 0.32,674 0.657,675 3.611,676 3.932,677 4.174,678 4.407,679 4.635,680 4.663,681 4.745,682 4.836,683 4.718,684 4.663,685 9.2,686 0.602,687 466.72,688 3.611,689 5.153,690 5.994,691 6.87,692 7.73,693 8.611,694 9.479,695 10.362,696 11.235,697 12.12,698 1.4,712 1,714 2,715 8,719 1,720 4,722 16,727 1,739 2,741 69,743 17,744 2,745 36,747 72,748 28,749 14,750 5,751 7,752 1,756 4,757 5,767 2,768 1,770 6,772 15,773 13,774 1,777 1,782 1,786 1,793 36,794 3,796 5,797 1,802 1,803 1,807 1,808 0.75,809 3,828 1,829 3,832 1,859 3,862 1,864 3,868 33,876 9,878 2,880 1,883 1,888 1,893 4.3,896 1,898 2,901 16.917,902 13.167,903 7.375,904 4.465,907 2.757,908 1.349,909 0.95,910 8.082,911 10.649,912 3.829,913 4.391,914 4.935,915 5.494,916 6.025,917 6.313,918 6.652,919 6.997,920 6.862,921 6.693,922 1,923 50,924 12.281,926 5.123,927 0.026,929 7.495,931 24.417,933 20.5,936 1.995,937 65.833,941 423.76,942 182.258,945 47.145,947 31.278,948 150.98,949 470.904,951 30.162,952 21.524,953 75.81,954 30.278,955 38.245,956 2.104,957 455.037,959 423.76,960 150.98,961 47.145,962 31.278,964 376.675,965 94.229,968 21.524,969 129.456,971 31.278,972 423.76,973 47.145,974 182.258,977 423.76,978 76.285,979 105.972,981 47.145,982 423.76,983 47.145,984 182.258,986 0.576,987 0.338,988 0.178,989 0.1,990 23,991 10,992 0.139,993 10,994 1,995 1.095,996 4.57,997 287.148,998 0.095,999 21,1000 158.465,1001 1,1005 24.223,1006 11.011,1007 6.159,1008 2.106,1009 47.145,1010 16.778,1014 1.553,1015 3.687,1018 653.162,1019 45,1024 12.778,1028 0.255,1031 68.123,1032 77.313,1034 0.228,1035 0.52,1036 0.748,1037 0.846,1038 0.857,1039 0.862,1040 5.075,1041 1.569,1042 5.994,1043 5.118,1044 4.615,1045 5.078,1046 2.271,1047 6.815,1048 4.527,1049 6.271,1050 1.437,1051 7.563,1052 3.762,1053 4.29,1054 4.924,1055 0.931,1056 7.936,1057 4.122,1058 7.584,1059 1.136,1060 9.238,1061 3.077,1062 6.263,1063 7.255,1064 2.428,1065 10.93,1066 6.075,1067 8.932,1068 1.095,1069 10.98,1070 2.841,1071 6.77,1072 7.934,1073 1.381,1074 12.877,1075 6.471,1076 10.314,1077 1,1078 12.764,1079 2.611,1080 8.221,1081 9.766,1082 2.737,1083 15.454,1084 7.903,1085 11.717,1086 1,1087 14.578,1088 2.372,1089 9.091,1090 10.84,1091 1.783,1092 17.712,1093 8.655,1094 13.137,1095 0.467,1096 16.414,1097 2.136,1098 10.353,1099 12.473,1100 3.126,1101 20.183,1102 9.879,1103 3.303,1104 0.357,1105 18.265,1106 1.06,1107 11.387,1108 13.754,1109 2.192,1110 22.562,1111 10.801,1112 3.12,1113 11.915,1114 20.13,1115 0.488,1116 12.58,1117 15.302,1118 3.559,1119 25.012,1120 11.94,1121 2.742,1122 10.099,1123 22.005,1124 4.502,1125 13.689,1126 16.691,1127 2.615,1128 27.439,1129 12.945,1130 2.474,1131 8.759,1132 23.888,1133 3.574,1134 14.861,1135 18.205,1136 4.015,1137 29.892,1138 14.049,1139 2.353,1140 7.441,1141 25.779,1142 3.531,1143 16.004,1144 19.65,1145 3.05,1146 32.34,1147 15.096,1148 2.316,1149 6.974,1150 27.676,1151 3.16,1152 17.173,1153 21.153,1154 4.483,1155 34.798,1156 16.188,1157 1.771,1158 6.678,1159 29.579,1160 3.044,1161 18.332,1162 22.626,1163 3.495,1164 37.258,1165 17.257,1166 17708,1167 26174,1168 24.038,1169 45.341,1170 53.211,1171 54.565,1172 54.921,1173 52.806,1174 52.836,1175 65.909,1176 9.005,1177 151.758,1178 50.45,1179 5.565,1180 5.679,1181 6.8,1182 5.336,1183 5.303,1184 7.502,1185 2.555,1186 18.669,1187 5.033,1188 15.85,1189 1.478,1190 1.516,1191 1.526,1192 1.467,1193 1.468,1194 1.831,1195 0.25,1196 4.216,1197 1.401,1198 4.099,1199 4.11,1200 4.339,1201 4.111,1202 7.427,1203 4.062,1204 4.01,1205 4.055,1206 3.919,1207 3.897,1208 4.969,1209 3.894,1210 3.844,1211 3.885,1212 3.741,1213 3.756,1214 4.757,1215 3.746,1216 3.701,1217 3.751,1218 3.638,1219 3.56,1220 4.528,1221 3.558,1222 3.53,1223 3.564,1224 3.496,1225 3.39,1226 4.496,1227 3.38,1228 3.378,1229 3.433,1230 3.279,1231 3.213,1232 4.374,1233 3.202,1234 3.249,1235 3.314,1236 3.078,1237 2.968,1238 4.073,1239 2.97,1240 3.166,1241 3.232,1242 2.998,1243 2.963,1244 3.832,1245 2.96,1246 0.127,1247 0.102,1248 0.194,1249 0.117,1250 0.092,1251 4.565,1252 0.125,1253 3.679,1254 0.035,1255 6.998,1256 0.331,1257 4.22,1258 0.084,1259 3.303,1260 4.502,1261 1.277,1262 11.915,1263 3.033,1264 1.973,1265 1.926,1266 2.15,1267 2.14,1268 1.55,1269 2.147,1270 1.908,1271 1.903,1272 2.026,1273 1.988,1274 1.303,1275 1.989,1276 1.86,1277 1.818,1278 1.966,1279 1.962,1280 1.146,1281 1.981,1282 1.718,1283 1.682,1284 1.92,1285 1.874,1286 1.138,1287 1.896,1288 1.515,1289 1.475,1290 1.704,1291 1.677,1292 0.959,1293 1.695,1294 1.332,1295 1.271,1296 1.585,1297 1.536,1298 0.825,1299 1.555,1300 1.222,1301 1.176,1302 1.572,1303 1.516,1304 0.764,1305 1.534,1306 1.186,1307 1.109,1308 1.513,1309 1.452,1310 0.605,1311 1.493,1312 4.29,1314 5.609,1315 2.398,1316 7.12,1317 4.727,1318 8.717,1319 6.843,1320 10.359,1322 5.674,1328 10.261,1330 10.776,1332 0.811,1335 1.153,1340 41.572,1341 96.01,1342 219.273,1343 315.249,1344 356.469,1345 361.224,1346 363.224,1347 61.555,1348 7.893,1349 35.53,1350 63.77,1351 23,1352 12.655,1353 4.17,1354 3.322,1355 55.012,1356 188,1357 163,1358 0.14,1359 257.741,1360 446.9,1361 620.648,1362 35221,1364 23.261,1365 0.705,1366 0.637,1367 23.614,1368 21.01,1369 15.992,1370 0.444,1371 0.362,1372 12.144,1373 15.032,1374 11.687,1375 9.761,1376 16.401,1377 13.039,1378 14.284,1379 0.286,1380 0.22,1381 14.926,1382 11.025,1383 11.949,1384 0.187,1385 0.133,1386 12.786,1387 8.488,1388 9.554,1389 0.118,1390 0.078,1391 10.426,1392 6.315,1393 7.885,1394 0.077,1395 0.048,1396 8.703,1397 4.893,1398 0.233,1399 103.626,1400 0.204,1401 31.753,1402 0.353,1403 172,1404 412.4,1405 207.926,1406 415.917,1407 569.24,1408 392,1409 200,1410 395.442,1411 235.853,1412 422.27,1413 612.99,1414 394,1415 5}
{0 CHEMBL89012,1 1.263,2 6.895,3 3.817,4 14.573,5 77.724,6 7.465,7 0.773,8 3.61,9 3.725,10 3.207,11 3.293,12 4.691,13 3.252,14 4.113,15 4.256,16 3.589,17 3.716,18 5.115,19 3.653,20 4.389,21 4.578,22 3.708,23 3.856,24 5.361,25 3.777,26 4.423,27 4.63,28 3.58,29 3.793,30 5.434,31 3.694,32 4.395,33 4.644,34 3.325,35 3.676,36 5.298,37 3.539,38 4.188,39 4.448,40 3.021,41 3.461,42 5.019,43 3.293,44 3.937,45 4.207,46 2.625,47 3.163,48 4.752,49 2.967,50 3.595,51 3.91,52 1.916,53 2.674,54 4.274,55 2.414,56 0.035,57 0.438,58 6.367,59 2.828,60 6.79,61 3.794,62 0.044,63 0.719,64 11.117,65 5.084,66 7.494,67 6.936,68 0.081,69 0.974,70 15.944,71 6.773,72 12.862,73 9.354,74 0.154,75 1.058,76 17.024,77 6.562,78 23.172,79 9.014,80 0.147,81 1.009,82 17.788,83 6.794,84 23.596,85 9.457,86 0.082,87 0.774,88 14.63,89 6.21,90 16.392,91 8.761,92 0.062,93 0.594,94 11.531,95 4.936,96 14.153,97 6.991,98 0.047,99 0.414,100 8.774,101 3.727,102 10.694,103 5.355,104 2,105 32,106 0.231,107 0.578,108 0.678,109 0.822,110 0.888,111 0.888,112 3.014,113 0.9,114 -4.87,115 -4.78,116 -4.48,121 51.5,123 2,144 8,145 4,146 1,148 2,165 1,166 1,167 1,176 13,180 4,185 2,187 16,189 2,192 5,197 2,200 13,203 2,206 4,208 1,209 1,211 4,214 11,216 4,219 1,224 3,227 12,229 3,237 2,239 12,241 2,249 1,251 9,253 1,264 4,277 1,281 336,282 13.276,283 13.276,284 13.276,285 13.276,286 13.276,287 11.247,288 7.039,289 7.761,290 13.337,291 10.871,292 10.871,293 10.871,294 10.871,295 10.871,296 7.833,297 4.159,298 3.668,299 10.992,300 3.782,301 1.879,302 1.333,303 0.545,304 0.182,305 0.182,306 3.718,310 1,311 1,312 1,313 297,314 1.871,318 105.649,322 129.645,325 0.975,326 9.604,328 1,329 1,330 0.83,331 1,332 0.6,333 0.5,334 1,335 1,336 0.85,337 39,338 131,339 4.685,340 3.386,341 6.911,342 4.275,343 3.291,344 4.592,346 11.587,347 3.239,348 4.265,349 2.937,350 6.404,351 3.852,352 2.858,353 3.942,355 9.769,356 2.839,357 3.743,358 2.458,359 5.779,360 3.319,361 2.328,362 3.244,364 7.672,365 2.306,366 3.419,367 2.134,368 5.254,369 2.993,370 2.024,371 2.796,373 6.209,374 1.959,375 2.949,376 1.746,377 4.523,378 2.597,379 1.601,380 2.144,382 4.307,383 1.593,384 2.921,385 1.453,386 3.788,387 2.428,388 1.437,389 2.092,391 3.105,392 1.423,393 2.803,394 1.408,395 3.689,396 2.361,397 1.362,398 1.929,400 3.022,401 1.36,402 2.387,403 0.966,404 3.585,405 1.903,406 0.918,407 1.335,409 2.318,410 0.903,411 2.074,412 0.926,413 3.435,414 1.824,415 0.836,416 1.004,418 1.98,419 0.825,420 1.364,421 0.236,422 2.913,423 0.999,424 0.043,425 0.053,427 0.11,428 0.041,429 1.08,430 -0.265,431 2.679,432 0.672,433 -0.312,434 -0.416,436 -0.815,437 -0.307,438 0.79,439 -0.426,440 2.329,441 0.44,442 -0.55,443 -0.691,445 -1.336,446 -0.544,447 0.628,448 -0.766,449 2.092,450 0.179,451 -0.811,452 -1.145,454 -1.979,455 -0.801,456 0.545,457 -0.903,458 2,459 0.071,460 -0.92,461 -1.337,463 -2.228,464 -0.911,465 0.185,466 -1.122,467 2,468 -0.233,469 -1.221,470 -1.678,472 -3.551,473 -1.205,474 9.3,475 0.489,476 0.415,477 0.022,478 28.25,479 1.487,480 16.5,481 0.868,482 11.75,483 0.618,484 12.04,485 0.634,486 18.3,487 0.555,488 17.072,489 0.899,490 5.41,491 0.285,492 3.933,493 0.207,494 0.043,496 0.376,501 1.036,502 0.864,503 0.785,504 0.772,505 1.154,506 0.763,507 0.695,508 1.057,509 0.815,510 0.958,511 0.675,512 0.907,513 0.914,514 1.155,515 0.86,516 0.993,517 0.8,518 0.936,519 1.524,520 1.172,521 1.176,522 1.103,523 1.354,524 1.112,525 1.593,526 0.929,527 1.169,528 0.965,529 1.413,530 1.023,531 0.789,532 0.939,533 1.04,534 1.042,535 0.891,536 1.056,537 0.714,538 0.976,539 1.104,540 1.121,541 0.952,542 1.136,543 0.517,544 0.861,545 1.019,546 1.044,547 0.783,548 1.063,549 2.5,551 2.444,552 1.438,553 1.524,554 0.583,555 0.223,556 0.083,557 0.032,559 3150,560 6736,561 2.239,562 42.4,563 4,564 8,567 2,572 1.609,573 2.151,574 2.809,575 0.238,577 1,579 1,582 41.675,583 1.263,584 3.166,585 3.711,586 4.499,587 4.863,588 4.863,589 2.234,590 4.143,591 4.225,592 2.846,593 486.612,594 7.223,595 4507.06,597 1,599 1,600 166.465,601 1.211,602 4.203,603 0.114,605 0.076,606 0.041,607 0.053,608 0.027,609 0.014,610 0.008,611 0.008,613 0.341,614 0.83,615 1,616 0.447,617 79.208,618 -0.108,619 0.141,620 0.041,621 0.12,622 -0.175,623 0.096,624 0.061,625 -0.102,626 0.041,627 -0.033,628 0.013,629 -0.004,630 0.091,631 -0.172,632 0.065,633 -0.056,634 0.083,635 -0.009,636 -0.083,637 -0.115,638 -0.221,639 -0.197,640 -0.071,641 -0.215,642 -0.288,643 0.098,644 -0.165,645 -0.011,646 -0.196,647 -0.066,648 -0.031,649 -0.019,650 -0.038,651 -0.03,652 0.017,653 -0.033,654 -0.03,655 -0.074,656 -0.091,657 -0.095,658 -0.047,659 -0.097,660 0.068,661 0.009,662 0.056,663 0.031,664 -0.009,665 0.041,666 0.768,667 2.357,668 0.947,669 10.089,670 0.985,671 1.106,672 3.641,673 13.257,674 0.715,675 3.135,676 3.497,677 3.871,678 4.205,679 4.522,680 4.635,681 4.812,682 4.956,683 5.069,684 4.949,685 4.105,686 0.673,687 246.33,688 3.135,689 4.691,690 5.587,691 6.497,692 7.409,693 8.327,694 9.244,695 10.165,696 11.085,697 12.007,698 6.1,702 1,708 1,714 2,715 8,716 1,720 5,722 17,733 1,741 33,743 17,744 2,745 22,747 36,748 17,749 15,750 4,751 8,756 4,757 10,767 2,770 2,772 15,773 2,790 1,793 14,794 2,795 2,796 2,802 2,808 0.25,822 1,829 4,833 3,859 1,868 19,869 1,876 2,901 8.833,902 5.95,903 4.083,904 2.058,907 3.639,908 1.497,909 1.097,910 2.203,911 10.963,912 3.45,913 4.143,914 4.846,915 5.512,916 6.167,917 6.548,918 7.05,919 7.523,920 7.966,921 8.155,922 0.8,923 35,924 7.013,926 3.076,927 0.026,929 7.482,931 13.789,933 12.004,936 1.982,937 37.667,938 0.002,941 141.253,942 100.666,943 49.683,948 100.666,949 141.253,950 49.683,952 5.069,953 108.707,954 16.786,955 19.787,957 141.253,959 141.253,960 150.349,964 141.253,968 9.97,969 123.594,970 16.786,972 141.253,973 49.683,974 100.666,977 141.253,978 24.856,979 75.81,981 49.683,982 141.253,983 49.683,984 100.666,986 0.587,987 0.366,988 0.214,989 0.121,990 19,991 7,994 3,995 1.333,996 3.126,997 156.936,998 0.333,999 18,1000 78.711,1005 10.714,1006 3.906,1007 1.504,1008 2.052,1009 49.683,1010 16.607,1011 4.838,1015 5.781,1017 32.897,1018 291.602,1019 30.5,1031 32.505,1032 36.488,1034 0.25,1035 0.628,1036 0.736,1037 0.892,1038 0.964,1039 0.964,1040 4.684,1041 0.918,1042 5.58,1043 3.022,1044 4.174,1045 4.828,1047 6.46,1048 4.15,1049 5.92,1050 0.836,1051 7.175,1052 2.318,1053 3.761,1054 4.691,1056 7.483,1057 3.718,1058 7.254,1059 0.043,1060 8.878,1061 1.98,1062 5.82,1063 7.154,1065 10.656,1066 5.77,1067 8.631,1068 -0.312,1069 10.644,1070 0.11,1071 6.275,1072 7.88,1074 12.511,1075 6.205,1076 10.042,1077 -0.55,1078 12.451,1079 -0.815,1080 7.785,1081 9.788,1083 15.2,1084 7.709,1085 11.479,1086 -0.811,1087 14.284,1088 -1.336,1089 8.641,1090 10.923,1092 17.384,1093 8.544,1094 12.936,1095 -0.92,1096 16.135,1097 -1.979,1098 9.936,1099 12.599,1101 19.91,1102 9.829,1103 3.291,1104 -1.221,1105 17.999,1106 -2.228,1107 10.972,1108 13.931,1110 22.234,1111 10.846,1112 2.858,1113 11.587,1114 19.874,1115 -3.551,1116 12.186,1117 15.509,1119 24.702,1120 12.048,1121 2.328,1122 9.769,1123 21.756,1124 4.592,1125 13.301,1126 16.935,1128 27.088,1129 13.144,1130 2.024,1131 7.672,1132 23.644,1133 3.942,1134 14.487,1135 18.473,1137 29.536,1138 14.316,1139 1.601,1140 6.209,1141 25.538,1142 3.244,1143 15.637,1144 19.945,1146 31.951,1147 15.449,1148 1.437,1149 4.307,1150 27.436,1151 2.796,1152 16.816,1153 21.467,1155 34.393,1156 16.612,1157 1.362,1158 3.105,1159 29.338,1160 2.144,1161 17.983,1162 22.962,1164 36.822,1165 17.761,1166 2941,1167 4378,1168 15.315,1169 23.58,1170 33.539,1171 33.698,1172 34.382,1173 33.373,1174 33.395,1175 46.267,1177 100.158,1178 32.976,1179 5.567,1180 5.386,1181 6.595,1182 5.317,1183 5.291,1184 7.592,1186 19.266,1187 5.239,1188 4.803,1189 1.525,1190 1.532,1191 1.563,1192 1.517,1193 1.518,1194 2.103,1196 4.553,1197 1.499,1198 4.133,1199 4.159,1200 4.098,1201 4.072,1202 5.151,1203 4.075,1204 3.881,1205 3.908,1206 3.819,1207 3.833,1208 4.815,1209 3.827,1210 3.51,1211 3.558,1212 3.412,1213 3.426,1214 4.688,1215 3.417,1216 3.219,1217 3.293,1218 3.071,1219 3.084,1220 4.292,1221 3.073,1222 3.082,1223 3.16,1224 2.993,1225 2.917,1226 3.917,1227 2.925,1228 2.831,1229 2.898,1230 2.7,1231 2.725,1232 3.683,1233 2.712,1234 2.713,1235 2.806,1236 2.546,1237 2.58,1238 3.594,1239 2.563,1240 2.642,1241 2.733,1242 2.433,1243 2.377,1244 3.336,1245 2.369,1246 0.213,1247 0.154,1248 0.314,1249 0.194,1250 0.15,1251 4.685,1252 0.209,1253 3.386,1255 6.911,1256 0.527,1257 4.275,1258 0.147,1259 3.291,1260 4.592,1262 11.587,1263 3.239,1264 2.095,1265 2.073,1266 2.168,1267 2.172,1268 1.388,1269 2.172,1270 1.89,1271 1.866,1272 2.003,1273 1.962,1274 1.132,1275 1.978,1276 1.522,1277 1.479,1278 1.719,1279 1.649,1280 0.88,1281 1.675,1282 1.222,1283 1.16,1284 1.448,1285 1.423,1286 0.559,1287 1.441,1288 1.034,1289 0.976,1290 1.235,1291 1.266,1292 0.26,1293 1.26,1294 0.85,1295 0.793,1296 1.125,1297 1.029,1298 0.207,1299 1.067,1300 0.726,1301 0.659,1302 1.032,1303 0.96,1304 0.164,1305 0.995,1306 0.614,1307 0.491,1308 0.992,1309 0.877,1311 0.922,1312 3.807,1314 5.153,1316 6.737,1318 8.43,1320 10.177,1326 6.357,1328 2.031,1340 22.204,1341 41.675,1342 104.465,1343 122.465,1344 148.465,1345 160.465,1346 160.465,1347 19.741,1348 7.324,1349 38.91,1350 38.91,1351 24,1352 12.515,1353 4.17,1354 3.248,1355 24.211,1356 48,1357 40,1358 0.267,1359 134.436,1360 221.4,1361 319.784,1362 13896,1364 12.82,1365 0.675,1366 0.556,1367 12.82,1368 10.558,1369 9.343,1370 0.425,1371 0.3,1372 6.573,1373 9.251,1374 6.421,1375 5.294,1376 9.343,1377 6.598,1378 8.417,1379 0.263,1380 0.157,1381 8.417,1382 5.027,1383 7.832,1384 0.167,1385 0.084,1386 7.832,1387 3.954,1388 6.987,1389 0.106,1390 0.045,1391 6.987,1392 2.982,1393 6.065,1394 0.067,1395 0.024,1396 6.065,1397 2.221,1398 0.39,1399 56.757,1400 0.256,1401 18.262,1402 0.822,1403 108,1404 230.957,1405 111.081,1406 238.707,1407 347.49,1408 226,1409 133,1410 273.662,1411 136.664,1412 283.388,1413 421.6,1414 270,1415 4.432}
{0 CHEMBL90039,1 1.196,2 6.214,3 3.234,4 10.46,5 56.634,6 7.593,7 0.8,8 3.248,9 3.342,10 2.843,11 2.958,12 4.426,13 2.91,14 3.676,15 3.797,16 3.107,17 3.278,18 4.824,19 3.207,20 3.912,21 4.102,22 3.109,23 3.3,24 5.073,25 3.208,26 3.815,27 4.009,28 2.909,29 3.069,30 5.086,31 2.991,32 3.566,33 3.738,34 2.729,35 2.918,36 4.834,37 2.842,38 3.466,39 3.676,40 2.376,41 2.82,42 4.458,43 2.667,44 3.302,45 3.583,46 1.857,47 2.506,48 4.043,49 2.279,50 2.811,51 3.15,52 1.004,53 1.825,54 3.367,55 1.539,56 0.01,57 0.245,58 4.167,59 2.128,60 2.909,61 2.766,62 0.019,63 0.39,64 6.846,65 3.39,66 4.798,67 4.413,68 0.046,69 0.528,70 10.165,71 4.599,72 13.708,73 6.059,74 0.107,75 0.479,76 9.949,77 4.072,78 28,79 4.909,80 0.089,81 0.364,82 7.426,83 3.085,84 23.042,85 3.657,86 0.051,87 0.341,88 6.68,89 2.979,90 13.75,91 3.937,92 0.027,93 0.309,94 6.17,95 2.753,96 7.75,97 3.934,98 0.022,99 0.196,100 4.151,101 1.756,102 6.063,103 2.564,104 2,105 19,106 0.239,107 0.347,108 0.428,109 0.554,110 0.6,111 0.6,112 2.733,113 0.905,114 -4.82,115 -4.73,116 -4.44,121 54.2,144 10,145 2,159 1,176 12,180 2,187 13,192 4,200 10,206 4,214 8,219 2,227 10,239 8,251 4,264 1,281 180,282 9.673,283 9.673,284 9.673,285 9.673,286 9.673,287 8.142,288 1.291,289 6.053,290 9.649,291 7.411,292 7.411,293 7.411,294 7.411,295 7.411,296 5.215,297 0.417,298 2.885,299 7.355,300 3.389,301 2.852,302 2.447,303 1.813,304 1.583,305 1.583,306 3.381,311 1,312 1,313 183,314 2,318 87.438,325 0.959,326 9.693,329 1,330 0.83,331 0.83,332 0.5,334 1,335 1,336 0.74,337 29,338 87,339 4.317,340 3.579,341 6.388,342 3.984,343 2.962,344 3.884,346 9.657,347 3.023,348 3.736,349 2.278,350 5.247,351 3.278,352 2.278,353 3.298,355 6.4,356 2.278,357 3.182,358 2.099,359 4,360 2.697,361 1.682,362 2.46,364 3.594,365 1.704,366 2.781,367 1.328,368 3.555,369 2.317,370 1.317,371 1.908,373 2.88,374 1.317,375 2.5,376 1.317,377 3.247,378 2,379 1,380 1.5,382 2.136,383 1,384 2.5,385 1,386 3.247,387 2,388 1,389 1.5,391 2.136,392 1,393 2.32,394 1,395 3.187,396 1.73,397 0.669,398 1.059,400 1.594,401 0.704,402 0.772,403 -0.309,404 2.198,405 0.295,406 -0.705,407 -0.952,409 -1.547,410 -0.705,411 0.719,412 -0.705,413 1.555,414 0.269,415 -0.786,416 -1.226,418 -1.657,419 -0.823,420 0.5,421 -1,422 1.555,424 -1,425 -1.5,427 -2.347,428 -1,429 0.5,430 -1,431 1.424,433 -1,434 -1.5,436 -2.347,437 -1,438 -0.091,439 -1.298,440 1,441 -0.48,442 -1.527,443 -2.177,445 -4.188,446 -1.608,447 -0.5,448 -1.891,449 1,450 -0.891,451 -1.891,452 -2.254,454 -4.789,455 -1.891,456 -0.5,457 -2,458 0.198,459 -1,460 -2,461 -3,463 -4.789,464 -2,465 -0.736,466 -2,467 0.198,468 -1,469 -2,470 -3,472 -6.734,473 -2,474 6.833,475 0.488,476 0.209,477 0.015,478 21.25,479 1.518,480 13.5,481 0.964,482 7.75,483 0.554,484 6.152,485 0.439,486 13.567,487 0.565,488 12.153,489 0.868,490 4.479,491 0.32,492 2.398,493 0.171,494 0.049,496 0.22,501 0.469,502 0.849,503 0.744,504 0.848,505 0.529,506 0.826,507 0.601,508 1.089,509 0.954,510 1.088,511 0.658,512 1.059,513 0.848,514 1.082,515 0.901,516 1.067,517 0.82,518 1.001,519 2.048,520 0.967,521 1.083,522 0.947,523 1.986,524 0.929,525 2.094,526 0.909,527 1.172,528 0.904,529 2.048,530 0.945,531 0.931,532 1.084,533 1.246,534 1.109,535 0.944,536 1.192,537 0.161,538 1.101,539 1.049,540 1.125,541 0.194,542 1.162,543 0.133,544 0.907,545 0.864,546 0.926,547 0.16,548 0.957,549 1.5,551 1.333,552 0.875,553 0.382,554 0.139,555 0.078,556 0.049,559 1335,560 3460,561 2.076,562 41.7,564 10,572 1.508,573 2,574 2.727,575 -0.905,579 1,582 28.714,583 1.196,584 1.733,585 2.138,586 2.772,587 3.002,588 3.002,589 2.182,590 2.379,591 3.783,592 2.742,593 249.514,594 6.303,595 1934.88,597 1,600 110.039,601 1.095,602 3.765,603 0.1,605 0.07,606 0.049,607 0.027,608 0.012,609 0.01,610 0.012,613 0.28,614 0.83,615 1,616 0.544,617 52.696,618 0.001,619 0.034,620 0.025,621 0.034,622 -0.053,623 0.032,624 -0.005,625 -0.195,626 -0.143,627 -0.195,628 -0.06,629 -0.183,630 0.076,631 -0.135,632 0.045,633 -0.12,634 0.103,635 -0.052,636 -0.157,637 0.015,638 -0.039,639 0.013,640 -0.109,642 -0.276,643 0.058,644 -0.173,645 0.04,646 -0.241,647 -0.043,648 -0.17,649 -0.128,650 -0.302,651 -0.148,652 -0.177,653 -0.224,654 0.065,655 -0.113,656 -0.046,657 -0.11,658 0.044,659 -0.092,660 0.145,661 0.134,662 0.249,663 0.148,664 0.128,665 0.199,666 1.591,667 4.846,668 0.857,669 6.694,670 0.989,671 1.095,672 3.587,673 12.867,674 0.719,675 2.773,676 2.996,677 3.219,678 3.367,679 3.497,680 3.219,681 3.219,682 3.045,683 2.833,684 2.565,685 3.816,686 0.681,687 182.23,688 2.773,689 4.234,690 5.043,691 5.866,692 6.693,693 7.525,694 8.357,695 9.191,696 10.025,697 10.861,715 10,720 2,722 12,727 1,741 24,743 13,744 2,745 15,747 25,748 13,749 12,750 2,751 10,752 1,756 2,757 2,772 13,777 1,782 1,786 1,790 1,793 10,794 1,796 1,808 1,809 1,829 2,859 2,868 14,893 4.2,896 1,901 7,902 4.25,903 3.222,904 1.389,907 2.185,908 1.398,909 0.987,910 2.414,911 7.67,912 3.135,913 3.664,914 4.227,915 4.712,916 5.192,917 5.03,918 5.364,919 5.433,920 5.614,921 5.732,922 1,923 18,924 5.15,925 0.002,926 2.118,927 0.026,929 7.786,931 9.773,932 0.001,933 7.684,934 -0.001,936 2.286,937 32,938 0.005,941 117.711,942 106.267,945 25.145,948 106.267,949 142.856,953 94.762,954 30.278,955 6.371,957 117.711,959 117.711,960 106.267,961 25.145,964 117.711,965 25.145,969 106.267,972 117.711,973 25.145,974 106.267,977 117.711,978 11.505,979 94.762,981 25.145,982 117.711,983 25.145,984 106.267,986 0.556,987 0.326,988 0.174,989 0.091,990 9,991 3,992 0.08,993 2,995 1,996 2.701,997 84.372,999 12,1000 33.303,1005 8.704,1006 3.884,1007 1.908,1009 25.145,1010 18.609,1015 1.47,1018 249.123,1019 22,1024 11.846,1028 0.075,1031 23.745,1032 26.285,1034 0.261,1035 0.378,1036 0.466,1037 0.605,1038 0.655,1039 0.655,1040 4.277,1041 -0.705,1042 4.963,1043 1.594,1044 3.664,1045 4.344,1047 5.68,1048 3.684,1049 5.445,1050 -0.786,1051 6.46,1052 -1.547,1053 2.944,1054 3.689,1056 6.438,1057 3.006,1058 6.702,1059 -1,1060 8.073,1061 -1.657,1062 5.142,1063 6.448,1065 9.557,1066 5.189,1067 8.001,1068 -1,1069 9.761,1070 -2.347,1071 5.352,1072 6.678,1074 11.229,1075 5.454,1076 9.336,1077 -1.527,1078 11.498,1079 -2.347,1080 6.942,1081 8.815,1083 13.821,1084 7.029,1085 10.698,1086 -1.891,1087 13.268,1088 -4.188,1089 7.602,1090 9.496,1092 15.832,1093 7.742,1094 12.081,1095 -2,1096 15.061,1097 -4.789,1098 8.914,1099 11.31,1101 18.239,1102 9.048,1103 2.962,1104 -2,1105 16.87,1106 -4.789,1107 9.795,1108 12.249,1110 20.391,1111 9.974,1112 2.278,1113 9.657,1114 18.689,1115 -6.734,1116 10.979,1117 13.879,1119 22.721,1120 11.163,1121 1.682,1122 6.4,1123 20.516,1124 3.884,1125 11.968,1126 14.975,1128 24.935,1129 12.187,1130 1.317,1131 3.594,1132 22.349,1133 3.298,1134 13.095,1135 16.495,1137 27.233,1138 13.326,1139 1,1140 2.88,1141 24.186,1142 2.46,1143 14.135,1144 17.688,1146 29.475,1147 14.395,1148 1,1149 2.136,1150 26.026,1151 1.908,1152 15.237,1153 19.141,1155 31.757,1156 15.514,1157 0.669,1158 2.136,1159 27.869,1160 1.5,1161 16.301,1162 20.396,1164 34.013,1165 16.603,1166 1359,1167 2244,1168 10.227,1169 17.262,1170 22.139,1171 22.965,1172 22.277,1173 21.827,1174 21.818,1175 31.217,1177 56.794,1178 22.054,1179 5.053,1180 5.579,1181 6.19,1182 4.984,1183 4.962,1184 6.884,1186 16.391,1187 5.023,1188 3.814,1189 1.476,1190 1.531,1191 1.485,1192 1.455,1193 1.455,1194 2.081,1196 3.786,1197 1.47,1198 3.982,1199 4.002,1200 3.928,1201 3.923,1202 7.427,1203 3.92,1204 3.808,1205 3.841,1206 3.729,1207 3.753,1208 4.76,1209 3.743,1210 3.208,1211 3.219,1212 3.148,1213 3.064,1214 4.688,1215 3.078,1216 2.854,1217 2.925,1218 2.687,1219 2.735,1220 3.674,1221 2.715,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.674,1227 2.715,1228 2.694,1229 2.758,1230 2.554,1231 2.594,1232 3.662,1233 2.577,1234 2.364,1235 2.396,1236 2.237,1237 2.046,1238 3.458,1239 2.089,1240 1.602,1241 1.802,1242 1.039,1243 1.217,1244 2.107,1245 1.144,1246 0.288,1247 0.239,1248 0.426,1249 0.266,1250 0.197,1251 4.317,1252 0.259,1253 3.579,1255 6.388,1256 0.644,1257 3.984,1258 0.202,1259 2.962,1260 3.884,1262 9.657,1263 3.023,1264 1.959,1265 1.94,1266 2.062,1267 2.037,1268 1.133,1269 2.045,1270 1.824,1271 1.794,1272 1.961,1273 1.905,1274 1.01,1275 1.926,1276 1.146,1277 1.129,1278 1.286,1279 1.323,1280 0.334,1281 1.303,1282 0.886,1283 0.821,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.723,1295 0.665,1296 1.003,1297 0.887,1298 0.091,1299 0.93,1300 0.234,1301 0.198,1302 0.539,1303 0.606,1305 0.584,1308 0.381,1309 0.133,1311 0.23,1312 3.434,1314 4.673,1316 6.138,1318 7.69,1320 9.283,1340 16.349,1341 28.714,1342 41.601,1343 51.31,1344 66.529,1345 72.039,1346 72.039,1347 17.009,1348 5.485,1349 17.07,1350 17.07,1351 12,1352 11.43,1353 3.807,1354 3,1355 21.293,1356 31,1357 26,1358 0.347,1359 104.189,1360 177.25,1361 245.98,1362 1269,1364 9.803,1365 0.7,1366 0.549,1367 9.803,1368 7.682,1369 6.877,1370 0.458,1371 0.302,1372 4.512,1373 6.813,1374 4.397,1375 3.692,1376 6.877,1377 4.525,1378 5.655,1379 0.298,1380 0.161,1381 5.655,1382 3.061,1383 4.787,1384 0.199,1385 0.086,1386 4.787,1387 2.072,1388 3.705,1389 0.132,1390 0.048,1391 3.705,1392 1.346,1393 2.846,1394 0.089,1395 0.027,1396 2.846,1397 0.863,1398 0.516,1399 41.839,1400 0.313,1401 14.193,1402 1.026,1403 68,1404 185.736,1405 70.104,1406 186.542,1407 252.64,1408 174,1409 77,1410 179.636,1411 79.326,1412 186.402,1413 267.68,1414 176,1415 4}
{0 CHEMBL90241,1 1.263,2 14.71,3 6.362,4 40.475,5 132.785,6 6.379,7 0.529,8 4.229,9 4.371,10 3.674,11 3.797,12 5.179,13 3.732,14 4.795,15 5.001,16 3.982,17 4.201,18 5.633,19 4.101,20 5.103,21 5.354,22 4.033,23 4.364,24 5.865,25 4.219,26 5.199,27 5.487,28 3.955,29 4.331,30 5.92,31 4.164,32 5.156,33 5.451,34 3.914,35 4.275,36 5.897,37 4.122,38 5.062,39 5.334,40 3.838,41 4.261,42 5.799,43 4.096,44 5.06,45 5.34,46 3.765,47 4.241,48 5.758,49 4.054,50 5.047,51 5.342,52 3.66,53 4.176,54 5.722,55 3.976,56 0.102,57 0.94,58 15.405,59 6.325,60 12.882,61 9.128,62 0.2,63 1.545,64 27.464,65 10.508,66 20.697,67 15.539,68 0.26,69 1.965,70 37.345,71 14.19,72 29.89,73 21.126,74 0.3,75 2.07,76 41.372,77 14.596,78 35.648,79 22.333,80 0.37,81 1.998,82 40.096,83 12.85,84 38.895,85 20.207,86 0.302,87 1.834,88 36.039,89 13.074,90 31.681,91 19.693,92 0.223,93 1.779,94 35.587,95 13.809,96 28.872,97 20.491,98 0.267,99 1.723,100 35.251,101 13.367,102 30.465,103 19.924,104 6,105 45,106 0.202,107 0.495,108 0.679,109 0.768,110 0.81,111 0.815,112 3.471,113 1.025,114 -6.56,115 -6.39,116 -5.92,121 41.5,122 2,123 3,124 2,127 4,144 11,145 3,148 1,149 1,168 1,176 19,180 6,183 1,185 2,187 20,192 9,195 1,197 3,200 11,206 11,211 4,214 8,219 8,224 1,227 15,232 4,235 1,237 2,239 20,244 2,249 2,251 18,255 1,256 1,261 2,264 12,268 1,269 2,274 2,277 7,281 1715,282 21.344,283 21.344,284 21.344,285 21.344,286 21.344,287 19.206,288 21.152,289 13.018,290 21.586,291 16.832,292 16.832,293 16.832,294 16.832,295 16.832,296 13.709,297 26.409,298 6.232,299 17.211,300 4.759,301 2.919,302 1.767,303 1.208,304 0.946,305 0.916,306 4.173,312 1,313 993,314 3.24,318 472.808,325 2.235,326 12.91,329 0.75,330 0.83,331 0.83,332 0.9,333 0.5,334 0.83,335 1,336 0.81,337 64,338 456,339 4.389,340 3.214,341 6.464,342 4.028,343 3.049,344 4.049,345 0.916,346 10.017,347 2.987,348 4.022,349 3.018,350 6.068,351 3.694,352 2.727,353 3.534,354 0.4,355 8.751,356 2.66,357 3.941,358 2.752,359 5.616,360 3.677,361 2.694,362 3.457,363 0.172,364 7.788,365 2.631,366 3.605,367 2.567,368 5.331,369 3.47,370 2.472,371 2.646,373 6.949,374 2.467,375 3.296,376 2.293,377 4.96,378 3.052,379 2.099,380 2.627,382 5.871,383 1.99,384 3.206,385 2.161,386 4.909,387 2.943,388 1.98,389 2.306,391 5.334,392 1.905,393 3.13,394 1.848,395 4.474,396 2.801,397 1.822,398 2.229,400 4.554,401 1.778,402 2.826,403 1.523,404 3.638,405 2.422,406 1.427,407 1.928,409 3.05,410 1.419,411 2.654,412 1.342,413 3.596,414 2.226,415 1.249,416 1.721,418 2.795,419 1.218,420 2.5,421 1.101,422 3.518,423 2.025,424 1.052,425 1.5,427 2.446,428 1.021,429 2.5,430 1.077,431 3.435,432 2,433 1,434 1.5,436 2.413,437 1,438 2.347,439 1,440 3.414,441 2,442 1,443 1.307,445 2.275,446 1,447 2.193,448 1,449 3.247,450 1.988,451 1,452 1.174,454 2.136,455 0.986,456 2,457 1,458 3.247,459 1.984,460 1,461 1,463 2.136,464 0.983,465 1.411,466 0.443,467 2.909,468 1.256,469 0.289,470 0.313,472 0.706,473 0.279,474 15.1,475 0.487,476 0.571,477 0.018,478 37.25,479 1.202,480 18.5,481 0.597,482 18.75,483 0.605,484 30.014,485 0.968,486 33.5,487 0.515,488 24.905,489 0.803,490 6.867,491 0.222,492 8.32,493 0.268,494 0.066,496 0.258,501 0.839,502 1.245,503 0.953,504 1.116,505 0.84,506 1.056,507 1.141,508 1.138,509 1.035,510 1.061,511 0.78,512 1.044,513 0.988,514 1.163,515 1.036,516 1.107,517 0.84,518 1.081,519 1.194,520 1.115,521 0.988,522 1.003,523 0.984,524 0.984,525 1.793,526 0.879,527 1.046,528 0.803,529 1.417,530 0.858,531 1.35,532 0.957,533 1.129,534 0.999,535 1.309,536 1.039,537 0.925,538 1.059,539 1.048,540 1.08,541 1.088,542 1.074,543 0.984,544 0.945,545 1.039,546 1.006,547 1.139,548 1.023,549 5,550 0.115,551 2.667,552 1.313,553 1.178,554 0.903,555 0.626,556 0.342,557 0.229,558 0.169,559 15542,560 30027,561 2.123,562 52.3,563 8,564 19,567 1,569 6,572 1.73,573 2.044,574 3.808,575 -0.457,582 82.098,583 1.263,584 3.104,585 4.255,586 4.814,587 5.076,588 5.107,589 3.252,590 4.131,591 4.924,592 4,593 1859.98,594 8.566,595 28457.3,600 391.454,601 1.14,602 4.91,603 0.147,604 0.005,605 0.059,606 0.029,607 0.029,608 0.023,609 0.017,610 0.01,611 0.008,612 0.007,613 0.336,614 0.33,615 0.88,616 0.575,617 165.756,618 0.188,619 -0.035,620 0.067,621 -0.008,622 0.137,623 0.016,624 0.014,625 -0.013,626 -0.021,627 -0.025,628 0.119,629 -0.025,630 0.049,631 -0.13,632 -0.042,633 -0.104,634 0.084,635 -0.084,636 -0.002,637 -0.126,638 0.011,639 -0.051,640 0.069,641 -0.025,642 -0.22,643 0.149,644 -0.018,645 0.105,646 -0.13,647 0.067,648 -0.139,649 0.067,650 -0.126,651 -0.032,652 -0.188,653 -0.07,654 -0.044,655 -0.09,656 -0.073,657 -0.088,658 -0.126,659 -0.083,660 -0.019,661 0.009,662 -0.061,663 -0.037,664 -0.131,665 -0.049,666 0.929,667 1.548,668 0.774,669 38.16,670 0.979,671 1.126,672 5.332,673 28.432,674 0.653,675 3.555,676 3.829,677 4.06,678 4.277,679 4.5,680 4.466,681 4.585,682 4.644,683 4.682,684 4.736,685 8.444,686 0.6,687 414.65,688 3.555,689 5.069,690 5.894,691 6.742,692 7.582,693 8.434,694 9.281,695 10.135,696 10.985,697 11.841,698 6.2,701 1,703 1,708 2,715 11,716 2,720 5,722 18,734 1,741 65,743 18,744 2,745 34,747 68,748 27,749 16,750 2,751 10,756 4,757 4,763 2,767 2,768 1,770 3,772 16,773 11,774 2,793 34,794 4,795 1,796 4,802 4,808 1,821 1,829 4,855 1,859 4,864 2,868 31,876 7,877 1,880 2,881 1,901 15.167,902 11.933,903 6.917,904 4.266,907 2.866,908 1.375,909 0.974,910 7.454,911 10.52,912 3.784,913 4.297,914 4.81,915 5.316,916 5.832,917 5.889,918 6.254,919 6.509,920 6.749,921 6.946,922 0.9,923 45,924 11.483,926 4.725,927 0.026,929 7.371,931 23.007,933 19.102,936 1.871,937 58,941 388.446,942 152.557,943 54.461,948 152.557,949 388.446,950 54.461,951 17.65,952 16.026,953 104.239,954 51.337,955 15.438,956 2.328,957 388.446,959 388.446,960 207.018,964 317.82,965 70.627,968 39.558,969 116.123,970 51.337,972 388.446,973 54.461,974 152.557,977 388.446,978 30.668,979 125.013,980 18.011,981 33.326,982 388.446,983 54.461,984 152.557,986 0.568,987 0.324,988 0.175,989 0.098,990 20,991 8,992 0.118,993 8,995 1,996 4.461,997 262.894,999 24,1000 139.58,1005 21.678,1006 10.66,1007 5.999,1009 54.461,1010 23.304,1011 9.037,1015 5.662,1017 18.011,1018 595.464,1019 43,1031 63.661,1032 73.221,1034 0.21,1035 0.515,1036 0.707,1037 0.799,1038 0.843,1039 0.848,1040 4.994,1041 1.427,1042 5.838,1043 4.554,1044 4.511,1045 4.984,1046 1.038,1047 6.575,1048 4.467,1049 6.141,1050 1.249,1051 7.345,1052 3.05,1053 3.892,1054 4.46,1055 0.325,1056 7.326,1057 3.821,1058 7.399,1059 1.052,1060 8.954,1061 2.795,1062 6.028,1063 7.034,1064 0.697,1065 10.399,1066 5.941,1067 8.689,1068 1,1069 10.624,1070 2.446,1071 6.256,1072 7.359,1073 0.393,1074 12.017,1075 6.144,1076 10.014,1077 1,1078 12.335,1079 2.413,1080 7.813,1081 9.382,1082 0.537,1083 14.572,1084 7.685,1085 11.363,1086 1,1087 14.076,1088 2.275,1089 8.453,1090 10.144,1091 0.384,1092 16.554,1093 8.303,1094 12.732,1095 1,1096 15.837,1097 2.136,1098 9.749,1099 11.89,1100 0.438,1101 18.927,1102 9.581,1103 3.049,1104 0.289,1105 17.614,1106 2.136,1107 10.604,1108 12.9,1109 0.351,1110 21.073,1111 10.413,1112 2.727,1113 10.017,1114 19.403,1115 0.706,1116 11.777,1117 14.49,1118 0.366,1119 23.382,1120 11.568,1121 2.694,1122 8.751,1123 21.202,1124 4.049,1125 12.744,1126 15.649,1127 0.312,1128 25.603,1129 12.513,1130 2.472,1131 7.788,1132 23.009,1133 3.534,1134 13.864,1135 17.15,1136 0.309,1137 27.892,1138 13.614,1139 2.099,1140 6.949,1141 24.822,1142 3.457,1143 14.89,1144 18.4,1145 0.273,1146 30.148,1147 14.617,1148 1.98,1149 5.871,1150 26.642,1151 2.646,1152 15.988,1153 19.849,1154 0.262,1155 32.435,1156 15.696,1157 1.822,1158 5.334,1159 28.466,1160 2.627,1161 17.045,1162 21.154,1163 0.236,1164 34.709,1165 16.732,1166 14557,1167 20368,1168 23.345,1169 42.444,1170 50.098,1171 49.843,1172 50.319,1173 49.745,1174 49.718,1175 62.58,1176 2.978,1177 134.437,1178 48.644,1179 5.389,1180 5.214,1181 6.266,1182 5.071,1183 5.049,1184 7.049,1185 1.605,1186 16.522,1187 4.987,1188 10.461,1189 1.473,1190 1.466,1191 1.48,1192 1.463,1193 1.462,1194 1.841,1195 0.088,1196 3.954,1197 1.431,1198 4.018,1199 4.062,1200 3.962,1201 3.928,1202 5.041,1203 3.929,1204 3.941,1205 3.984,1206 3.861,1207 3.861,1208 4.756,1209 3.856,1210 3.831,1211 3.877,1212 3.73,1213 3.734,1214 4.7,1215 3.726,1216 3.778,1217 3.823,1218 3.685,1219 3.682,1220 4.336,1221 3.677,1222 3.495,1223 3.58,1224 3.329,1225 3.301,1226 4.209,1227 3.297,1228 3.402,1229 3.48,1230 3.26,1231 3.232,1232 4.111,1233 3.228,1234 3.169,1235 3.249,1236 3.022,1237 3.005,1238 3.813,1239 2.997,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.734,1245 2.91,1246 0.129,1247 0.095,1248 0.19,1249 0.118,1250 0.09,1251 4.389,1252 0.119,1253 3.214,1254 0.027,1255 6.464,1256 0.295,1257 4.028,1258 0.088,1259 3.049,1260 4.049,1261 0.916,1262 10.017,1263 2.987,1264 1.959,1265 1.93,1266 2.103,1267 2.08,1268 1.481,1269 2.088,1270 1.933,1271 1.896,1272 2.06,1273 2.052,1274 1.234,1275 2.056,1276 1.841,1277 1.793,1278 2.013,1279 1.954,1280 1.161,1281 1.976,1282 1.778,1283 1.736,1284 1.956,1285 1.9,1286 1.077,1287 1.919,1288 1.481,1289 1.4,1290 1.745,1291 1.714,1292 0.996,1293 1.734,1294 1.384,1295 1.315,1296 1.599,1297 1.592,1298 0.825,1299 1.602,1300 1.166,1301 1.093,1302 1.513,1303 1.382,1304 0.704,1305 1.429,1306 1.153,1307 1.064,1308 1.448,1309 1.376,1310 0.648,1311 1.408,1312 4.234,1314 5.517,1316 6.999,1318 8.564,1320 10.173,1322 4.443,1328 8.188,1329 3.584,1332 1.195,1333 2.587,1340 38.988,1341 82.098,1342 201.729,1343 276.606,1344 312.925,1345 329.944,1346 331.944,1347 45.014,1348 7.653,1349 41.05,1350 41.05,1351 24,1352 12.395,1353 4.248,1354 3.322,1355 49.838,1356 159,1357 153,1358 0.149,1359 241.021,1360 413.76,1361 579.85,1362 25300,1364 21.468,1365 0.693,1366 0.606,1367 21.468,1368 18.797,1369 15.187,1370 0.447,1371 0.342,1372 11.54,1373 14.885,1374 11.183,1375 9.365,1376 15.187,1377 11.62,1378 13.197,1379 0.293,1380 0.199,1381 13.197,1382 8.975,1383 10.806,1384 0.19,1385 0.111,1386 10.806,1387 6.316,1388 8.83,1389 0.124,1390 0.062,1391 8.83,1392 4.403,1393 7.305,1394 0.082,1395 0.036,1396 7.305,1397 3.185,1398 0.245,1399 93.095,1400 0.207,1401 30.041,1402 0.382,1403 158,1404 331.268,1405 165.299,1406 336.04,1407 475.07,1408 318,1409 181,1410 361.265,1411 189.604,1412 372.301,1413 536.76,1414 351,1415 6.367}
{0 CHEMBL90264,1 1.273,2 14.767,3 6.11,4 37.335,5 128.237,6 6.462,7 0.545,8 4.186,9 4.327,10 3.644,11 3.757,12 5.142,13 3.695,14 4.748,15 4.951,16 3.94,17 4.154,18 5.595,19 4.056,20 5.05,21 5.304,22 3.984,23 4.306,24 5.805,25 4.164,26 5.117,27 5.399,28 3.898,29 4.271,30 5.837,31 4.107,32 5.084,33 5.374,34 3.862,35 4.221,36 5.834,37 4.068,38 5.006,39 5.282,40 3.742,41 4.182,42 5.749,43 4.011,44 4.964,45 5.257,46 3.593,47 4.091,48 5.639,49 3.894,50 4.847,51 5.151,52 3.47,53 3.947,54 5.514,55 3.754,56 0.097,57 0.901,58 14.549,59 5.976,60 11.941,61 8.6,62 0.193,63 1.478,64 26.001,65 9.909,66 19.958,67 14.626,68 0.255,69 1.861,70 35.373,71 13.342,72 27.703,73 19.856,74 0.272,75 1.923,76 38.099,77 13.653,78 30.685,79 20.721,80 0.324,81 1.869,82 37.232,83 12.36,84 35.64,85 19.154,86 0.297,87 1.73,88 34.158,89 12.205,90 31.432,91 18.423,92 0.215,93 1.592,94 32.481,95 12.283,96 26.408,97 18.353,98 0.244,99 1.41,100 29.086,101 10.568,102 25.73,103 15.92,104 3,105 43,106 0.205,107 0.502,108 0.689,109 0.783,110 0.827,111 0.832,112 3.439,113 1.022,114 -6.36,115 -6.19,116 -5.75,121 41.9,122 1,123 4,124 1,127 4,144 11,145 3,148 1,149 1,168 1,176 18,180 6,183 1,185 2,187 18,192 9,195 1,197 2,200 11,206 10,211 3,214 10,219 7,224 2,227 14,232 4,235 1,237 2,239 15,244 2,249 2,251 12,255 1,256 1,261 2,264 9,268 1,269 1,274 2,277 9,281 1532,282 21.007,283 21.007,284 21.007,285 21.007,286 21.007,287 18.844,288 21.771,289 12.875,290 21.253,291 16.292,292 16.292,293 16.292,294 16.292,295 16.292,296 13.131,297 29.117,298 6.099,299 16.677,300 4.681,301 2.84,302 1.679,303 1.093,304 0.819,305 0.786,306 4.144,312 1,313 968,314 2.915,318 457.907,325 2.316,326 12.039,329 0.75,330 0.83,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.78,337 62,338 443,339 4.402,340 3.124,341 6.511,342 4.024,343 3.04,344 4.079,345 0.916,346 10.222,347 2.99,348 3.941,349 3.018,350 5.617,351 3.69,352 2.727,353 3.457,354 0.4,355 7.789,356 2.634,357 3.829,358 2.604,359 5.45,360 3.482,361 2.494,362 3.348,363 0.172,364 7.196,365 2.472,366 3.605,367 2.531,368 5.329,369 3.406,370 2.431,371 2.741,373 6.938,374 2.365,375 3.415,376 2.273,377 5.035,378 3.065,379 2.103,380 2.632,382 5.881,383 2.017,384 3.174,385 2.195,386 4.951,387 2.995,388 2.031,389 2.242,391 5.777,392 1.946,393 2.964,394 1.643,395 4.138,396 2.558,397 1.57,398 2.137,400 3.699,401 1.55,402 2.826,403 1.524,404 3.599,405 2.422,406 1.427,407 1.929,409 3.05,410 1.419,411 2.618,412 1.343,413 3.521,414 2.186,415 1.221,416 1.671,418 2.728,419 1.176,420 2.5,421 1.085,422 3.437,423 2.02,424 1.046,425 1.5,427 2.45,428 1.016,429 2.5,430 1.077,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.207,439 1,440 3.247,441 2,442 1,443 1.188,445 2.136,446 1,447 2,448 1,449 3.247,450 1.984,451 1,452 1,454 2.136,455 0.983,456 1.664,457 0.55,458 2.93,459 1.471,460 0.476,461 0.547,463 0.785,464 0.473,465 1.377,466 0.43,467 2.855,468 1.232,469 0.266,470 0.286,472 0.629,473 0.256,474 14.6,475 0.487,476 0.444,477 0.015,478 36.75,479 1.225,480 18.5,481 0.617,482 18.25,483 0.608,484 27.222,485 0.907,486 32.2,487 0.519,488 24.129,489 0.804,490 6.893,491 0.23,492 7.921,493 0.264,494 0.034,496 0.233,501 0.834,502 1.236,503 0.936,504 1.102,505 0.778,506 1.04,507 1.155,508 1.156,509 1.053,510 1.079,511 0.808,512 1.062,513 1.007,514 1.107,515 1.013,516 1.06,517 0.829,518 1.041,519 1.149,520 1.107,521 1,522 1.017,523 0.985,524 1.001,525 1.586,526 0.935,527 1.034,528 0.862,529 1.319,530 0.899,531 1.376,532 0.969,533 1.154,534 1.016,535 1.356,536 1.059,537 0.951,538 1.035,539 1.024,540 1.046,541 1.097,542 1.041,543 1.088,544 0.878,545 0.988,546 0.913,547 1.184,548 0.937,549 4.5,550 0.111,551 2.222,552 1.313,553 1.058,554 0.646,555 0.501,556 0.241,557 0.176,558 0.124,559 14729,560 28882,561 2.148,562 51.6,563 6,564 19,567 1,569 6,572 1.72,573 2.093,574 3.83,575 -0.448,582 78.949,583 1.273,584 3.115,585 4.275,586 4.861,587 5.136,588 5.168,589 3.273,590 4.282,591 4.878,592 4.011,593 1744.69,594 8.461,595 26405.3,600 369.16,601 0.982,602 4.873,603 0.136,604 0.005,605 0.052,606 0.031,607 0.028,608 0.017,609 0.016,610 0.009,611 0.007,612 0.005,613 0.306,614 0.33,615 0.88,616 0.491,617 159.546,618 0.186,619 -0.035,620 0.068,621 -0.008,622 0.179,623 0.016,625 -0.034,626 -0.047,627 -0.052,628 0.093,629 -0.053,630 0.038,631 -0.084,632 -0.023,633 -0.066,634 0.092,635 -0.052,636 -0.016,637 -0.119,638 -0.005,639 -0.057,640 0.047,641 -0.035,642 -0.168,643 0.08,644 -0.017,645 0.063,646 -0.093,647 0.039,648 -0.151,649 0.045,650 -0.154,651 -0.059,652 -0.233,653 -0.098,654 -0.031,655 -0.09,656 -0.048,657 -0.072,658 -0.119,659 -0.064,660 -0.006,661 0.072,663 0.036,664 -0.125,665 0.022,666 0.77,667 1.516,668 0.8,669 36.809,670 0.98,671 1.126,672 5.131,673 26.326,674 0.656,675 3.526,676 3.784,677 4.025,678 4.248,679 4.466,680 4.407,681 4.5,682 4.554,683 4.595,684 4.644,685 8.52,686 0.604,687 400.62,688 3.526,689 5.03,690 5.855,691 6.698,692 7.536,693 8.385,694 9.228,695 10.079,696 10.925,697 11.778,698 6.5,701 1,703 1,708 2,715 11,716 2,720 5,722 18,734 1,741 62,743 18,744 2,745 33,747 65,748 26,749 16,750 2,751 10,756 4,757 4,763 1,767 2,768 1,770 4,772 16,773 10,774 1,793 32,794 4,795 1,796 4,802 4,808 1,821 1,829 4,855 1,859 4,864 1,868 30,876 8,877 1,880 1,881 1,901 14.333,902 11.1,903 6.806,904 4.141,907 2.882,908 1.379,909 0.984,910 7.232,911 10.481,912 3.761,913 4.27,914 4.785,915 5.301,916 5.812,917 5.841,918 6.169,919 6.427,920 6.635,921 6.831,922 0.9,923 43,924 11.108,926 4.565,927 0.026,929 7.372,931 22.251,933 18.416,936 1.872,937 56.167,941 364.904,942 146.266,943 54.461,948 146.266,949 364.904,950 54.461,951 8.825,952 18.561,953 104.239,954 51.337,955 15.438,956 2.328,957 364.904,959 364.904,960 200.727,964 294.278,965 70.627,968 33.267,969 116.123,970 51.337,972 364.904,973 54.461,974 146.266,977 364.904,978 33.202,979 116.188,980 18.011,981 33.326,982 364.904,983 54.461,984 146.266,986 0.56,987 0.325,988 0.18,989 0.101,990 19,991 7,992 0.123,993 8,995 1,996 4.433,997 248.926,999 24,1000 135.207,1005 20.716,1006 10.474,1007 5.759,1009 54.461,1010 23.298,1011 8.952,1015 5.688,1017 18.011,1018 565.632,1019 42,1031 60.778,1032 69.806,1034 0.214,1035 0.523,1036 0.718,1037 0.816,1038 0.863,1039 0.868,1040 4.959,1041 1.427,1042 5.784,1043 3.699,1044 4.466,1045 4.956,1046 1.038,1047 6.509,1048 4.42,1049 6.1,1050 1.221,1051 7.279,1052 3.05,1053 3.761,1054 4.388,1055 0.325,1056 7.222,1057 3.68,1058 7.353,1059 1.046,1060 8.872,1061 2.728,1062 5.969,1063 7.009,1064 0.697,1065 10.305,1066 5.877,1067 8.64,1068 1,1069 10.529,1070 2.45,1071 6.133,1072 7.305,1073 0.393,1074 11.91,1075 6.011,1076 9.961,1077 1,1078 12.227,1079 2.275,1080 7.731,1081 9.354,1082 0.537,1083 14.476,1084 7.596,1085 11.307,1086 1,1087 13.956,1088 2.136,1089 8.33,1090 10.1,1091 0.384,1092 16.472,1093 8.171,1094 12.672,1095 0.476,1096 15.708,1097 2.136,1098 9.646,1099 11.863,1100 0.438,1101 18.868,1102 9.474,1103 3.04,1104 0.266,1105 17.478,1106 0.785,1107 10.477,1108 12.871,1109 0.351,1110 21.044,1111 10.285,1112 2.727,1113 10.222,1114 19.262,1115 0.629,1116 11.662,1117 14.474,1118 0.366,1119 23.384,1120 11.454,1121 2.494,1122 7.789,1123 21.059,1124 4.079,1125 12.617,1126 15.64,1127 0.312,1128 25.641,1129 12.392,1130 2.431,1131 7.196,1132 22.866,1133 3.457,1134 13.743,1135 17.151,1136 0.309,1137 27.966,1138 13.502,1139 2.103,1140 6.938,1141 24.683,1142 3.348,1143 14.765,1144 18.413,1145 0.273,1146 30.259,1147 14.507,1148 2.031,1149 5.881,1150 26.507,1151 2.741,1152 15.868,1153 19.873,1154 0.262,1155 32.581,1156 15.594,1157 1.57,1158 5.777,1159 28.339,1160 2.632,1161 16.924,1162 21.192,1163 0.236,1164 34.891,1165 16.635,1166 13738,1167 19369,1168 22.94,1169 40.682,1170 47.859,1171 47.765,1172 48.481,1173 47.706,1174 47.665,1175 60.512,1176 2.978,1177 127.379,1178 46.59,1179 5.402,1180 5.124,1181 6.313,1182 5.067,1183 5.04,1184 7.079,1185 1.605,1186 17.01,1187 4.99,1188 7.399,1189 1.45,1190 1.447,1191 1.469,1192 1.446,1193 1.444,1194 1.834,1195 0.09,1196 3.86,1197 1.412,1198 4.014,1199 4.057,1200 3.958,1201 3.927,1202 5.041,1203 3.928,1204 3.941,1205 3.984,1206 3.861,1207 3.862,1208 4.756,1209 3.856,1210 3.829,1211 3.876,1212 3.721,1213 3.728,1214 4.701,1215 3.718,1216 3.748,1217 3.795,1218 3.667,1219 3.643,1220 4.335,1221 3.643,1222 3.488,1223 3.572,1224 3.333,1225 3.297,1226 4.132,1227 3.295,1228 3.326,1229 3.416,1230 3.149,1231 3.133,1232 4.097,1233 3.124,1234 3.15,1235 3.233,1236 2.99,1237 2.986,1238 3.812,1239 2.974,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.674,1245 2.91,1246 0.133,1247 0.095,1248 0.197,1249 0.122,1250 0.092,1251 4.402,1252 0.124,1253 3.124,1254 0.028,1255 6.511,1256 0.31,1257 4.024,1258 0.091,1259 3.04,1260 4.079,1261 0.916,1262 10.222,1263 2.99,1264 1.959,1265 1.93,1266 2.102,1267 2.078,1268 1.481,1269 2.087,1270 1.933,1271 1.896,1272 2.058,1273 2.05,1274 1.203,1275 2.054,1276 1.84,1277 1.791,1278 2.013,1279 1.954,1280 1.162,1281 1.976,1282 1.736,1283 1.693,1284 1.904,1285 1.87,1286 1.025,1287 1.882,1288 1.476,1289 1.395,1290 1.747,1291 1.703,1292 0.995,1293 1.727,1294 1.318,1295 1.235,1296 1.579,1297 1.55,1298 0.825,1299 1.569,1300 1.153,1301 1.078,1302 1.513,1303 1.376,1304 0.703,1305 1.429,1306 1.152,1307 1.064,1308 1.441,1309 1.369,1310 0.627,1311 1.397,1312 4.205,1314 5.476,1316 6.952,1318 8.514,1320 10.119,1322 2.177,1328 9.162,1329 3.509,1332 0.798,1333 2.584,1340 37.461,1341 78.949,1342 193.104,1343 265.067,1344 301.386,1345 318.405,1346 320.405,1347 40.985,1348 7.599,1349 41.05,1350 41.05,1351 24,1352 12.335,1353 4.248,1354 3.322,1355 47.55,1356 157,1357 142,1358 0.145,1359 231.428,1360 396.46,1361 556.445,1362 23965,1364 20.598,1365 0.687,1366 0.598,1367 20.598,1368 17.927,1369 14.814,1370 0.449,1371 0.341,1372 11.157,1373 14.511,1374 10.872,1375 9.072,1376 14.814,1377 11.237,1378 12.467,1379 0.29,1380 0.192,1381 12.467,1382 8.244,1383 10.512,1384 0.191,1385 0.111,1386 10.512,1387 6.116,1388 8.644,1389 0.125,1390 0.062,1391 8.644,1392 4.305,1393 7.167,1394 0.083,1395 0.036,1396 7.167,1397 3.118,1398 0.24,1399 90.859,1400 0.209,1401 29.384,1402 0.367,1403 152,1404 325.268,1405 159.299,1406 329.141,1407 465.43,1408 312,1409 174,1410 353.265,1411 182.437,1412 362.936,1413 523.78,1414 343,1415 7.569}
{0 CHEMBL91,1 1.738,2 9.48,3 5.646,4 31.872,5 103.068,6 10.67,7 0.63,8 3.777,9 3.858,10 3.65,11 3.444,12 4.924,13 3.41,14 4.288,15 4.409,16 4.062,17 3.837,18 5.437,19 3.782,20 4.513,21 4.654,22 4.139,23 3.964,24 5.603,25 3.852,26 4.575,27 4.742,28 4.275,29 3.891,30 5.729,31 3.776,32 4.499,33 4.701,34 3.883,35 3.787,36 5.472,37 3.696,38 4.474,39 4.632,40 4.08,41 3.934,42 5.584,43 3.828,44 4.555,45 4.743,46 4.136,47 3.98,48 5.653,49 3.852,50 4.428,51 4.604,52 4.191,53 3.901,54 5.616,55 3.754,56 0.086,57 0.485,58 2.63,59 2.856,60 6.799,61 3.438,62 0.296,63 0.797,64 7.935,65 5.178,66 17.14,67 5.572,68 0.44,69 0.885,70 20.627,71 7.848,72 32.733,73 8.971,74 0.715,75 0.919,76 36.408,77 9.274,78 57.361,79 10.249,80 0.573,81 0.936,82 25.498,83 8.321,84 41.716,85 9.341,86 0.488,87 0.898,88 22.468,89 7.672,90 36.415,91 9.066,92 0.481,93 0.978,94 26.607,95 8.585,96 37.463,97 10.542,98 0.432,99 0.812,100 28.138,101 7.897,102 36.416,103 9.468,104 17,105 37,106 0.309,107 0.603,108 0.768,109 0.848,110 0.884,111 0.912,112 3.267,113 1,114 -6.13,115 -5.98,116 -5.56,121 46.2,127 2,129 1,144 6,145 2,146 4,147 1,153 1,162 1,176 4,179 1,180 2,187 14,191 1,192 3,200 6,206 7,214 7,218 1,219 5,227 2,232 4,239 7,244 8,251 6,256 1,264 11,269 5,277 2,281 1044,282 16.654,283 16.654,284 16.654,285 16.654,286 16.654,287 14.4,288 16.214,289 9.862,290 17.437,291 13.315,292 13.315,293 13.315,294 13.315,295 13.315,296 10.089,297 15.551,298 4.704,299 14.774,300 3.548,301 1.888,302 0.962,303 0.513,304 0.308,305 0.154,306 3.944,308 4,312 1,313 502,314 3.082,317 78.427,318 182.906,325 1.222,326 23.57,329 0.75,330 0.83,331 1,332 0.6,333 0.5,334 1,335 1,336 0.81,337 53.333,338 237,339 4.324,340 3.461,341 6.469,342 3.971,343 3.03,344 3.931,345 1.307,346 10.033,347 2.832,348 4.226,349 3.266,350 6.057,351 3.777,352 2.846,353 3.877,354 0.447,355 8.7,356 2.615,357 3.928,358 2.938,359 5.462,360 3.462,361 2.554,362 3.483,364 7.252,365 2.307,366 3.575,367 2.753,368 5.14,369 3.152,370 2.264,371 2.88,373 6.283,374 1.953,375 3.459,376 2.643,377 4.96,378 2.994,379 2.117,380 2.773,382 5.817,383 1.774,384 3.051,385 2.462,386 4.706,387 2.631,388 1.792,389 2.178,391 4.88,392 1.423,393 2.848,394 2.09,395 4.181,396 2.373,397 1.479,398 1.979,400 3.779,401 1.244,402 2.7,403 1.542,404 3.956,405 2.236,406 1.291,407 1.774,409 3.233,410 1.185,411 2.489,412 1.315,413 3.437,414 2.038,415 1.128,416 1.485,418 2.539,419 1.015,420 2.118,421 1.005,422 3.166,423 1.557,424 0.656,425 0.927,427 1.537,428 0.577,429 1.847,430 0.618,431 3,432 1.55,433 0.618,434 0.759,436 1.372,437 0.558,438 1.256,439 0.591,440 2.65,441 0.827,447 1.137,448 0.309,449 2.526,450 0.781,451 -0.09,452 -0.107,454 -0.224,455 -0.069,456 0.797,457 0.256,458 2.359,459 0.278,460 -0.514,461 -0.621,463 -1.242,464 -0.293,465 0.796,466 0.256,467 2.359,468 0.27,469 -0.515,470 -0.621,472 -1.242,473 -0.293,474 12.99,475 0.52,476 0.647,477 0.026,478 32.25,479 1.29,480 16,481 0.64,482 16.25,483 0.65,484 21.682,485 0.867,486 26.01,487 0.667,488 21.801,489 0.872,490 6.452,491 0.258,492 5.573,493 0.223,494 0.22,496 0.3,501 0.666,502 1.289,503 0.475,504 0.781,505 0.6,506 0.767,507 1.053,508 0.95,509 0.622,510 0.67,511 0.757,512 0.768,513 1.135,514 1.086,515 1.027,516 1.085,517 1.082,518 1.121,519 1.05,520 1.092,521 0.92,522 1.151,523 0.923,524 1.1,525 1.099,526 0.826,527 0.705,528 0.762,529 0.896,530 0.817,531 0.758,532 1.077,533 0.919,534 1.062,535 0.829,536 1.059,537 0.701,538 1.006,539 0.915,540 0.986,541 0.872,542 1.002,543 0.909,544 0.987,545 1.057,546 0.94,547 0.993,548 0.976,549 5.5,550 0.071,551 2.889,552 1.722,553 1.142,554 0.715,555 0.522,556 0.517,557 0.284,558 0.284,559 6774,560 27241,561 2.038,562 35.9,564 11,565 1,566 2,572 1.686,573 1.899,574 3.182,575 -0.711,582 67.769,583 1.738,584 3.397,585 4.324,586 4.773,587 4.978,588 5.132,589 2.549,590 4.484,591 4.616,592 3.345,593 1003.49,594 8.016,595 12400.1,600 206.131,601 1.44,602 4.569,603 0.204,604 0.006,605 0.078,606 0.049,607 0.036,608 0.023,609 0.015,610 0.015,611 0.009,612 0.014,613 0.449,614 0.5,615 0.88,616 0.609,617 119.974,618 -0.036,619 -0.209,620 0.004,621 -0.065,622 -0.054,623 -0.025,624 -0.166,625 0.146,626 -0.01,627 0.134,628 -0.043,629 0.035,630 -0.137,631 -0.13,632 -0.142,633 -0.148,634 -0.155,635 -0.191,636 0.12,637 -0.166,638 0.073,639 -0.135,640 0.143,641 -0.097,642 -0.079,643 0.19,644 0.034,645 0.21,646 -0.068,647 0.187,648 0.053,649 -0.088,650 -0.084,651 -0.141,652 -0.009,653 -0.11,654 0.042,655 0.007,656 -0.016,657 -0.027,658 -0.031,659 0.002,660 -0.042,661 -0.031,662 0.029,663 0.071,664 0.01,665 0.047,666 1.62,667 2.625,668 0.68,669 19.85,670 1.023,671 1.11,672 4.9,673 24.014,674 0.769,675 3.332,676 3.638,677 3.85,678 4.06,679 4.174,680 4.22,681 4.22,682 4.344,683 4.382,684 4.407,685 5.821,686 0.725,687 416.14,688 3.332,689 4.86,690 5.687,691 6.547,692 7.388,693 8.251,694 9.098,695 9.962,696 10.812,697 11.678,698 5.1,706 1,708 1,715 9,716 1,720 6,721 1,722 17,740 4,741 39,743 17,744 2,745 27,747 41,748 18,749 15,750 6,751 6,756 3,757 3,758 4,770 1,772 15,773 3,793 14,794 2,796 7,797 4,799 1,802 2,808 1,809 1,828 1,829 2,858 1,859 3,865 4,868 25,876 2,878 1,880 1,892 4,893 2.6,897 1,901 13.167,902 6.971,903 5.5,904 2.148,907 2.17,908 1.324,909 0.98,910 6.387,911 8.868,912 3.597,913 4.193,914 4.699,915 5.189,916 5.531,917 5.583,918 5.644,919 6,920 6.352,921 6.689,922 1,923 35,924 9.167,926 3.833,927 0.026,929 7.791,931 17.302,933 13.913,936 2.291,937 57.278,941 164.795,942 110.643,943 18.685,944 156.595,945 11,948 110.643,949 332.39,950 18.685,952 6.698,953 65.905,954 59.946,955 31.32,956 11.771,957 129.482,958 156.595,959 164.795,960 129.327,961 11,962 156.595,964 164.795,966 11,968 26.263,969 86.278,970 173.38,972 164.795,973 29.685,974 267.237,977 164.795,978 27.072,979 85.47,981 184.38,982 164.795,983 29.685,984 267.237,986 0.581,987 0.33,988 0.173,989 0.085,990 17,991 8,992 0.146,993 6,995 1,996 3.683,997 200.754,999 17,1000 116.096,1005 18.705,1006 8.537,1007 4.972,1009 27.785,1010 16.022,1011 4.065,1015 3.993,1016 1.93,1018 461.717,1019 35.5,1031 39.895,1032 43.304,1034 0.329,1035 0.643,1036 0.818,1037 0.903,1038 0.942,1039 0.971,1040 4.814,1041 1.291,1042 5.666,1043 3.779,1044 4.317,1045 4.879,1046 1.572,1047 6.431,1048 4.111,1049 6.017,1050 1.128,1051 7.201,1052 3.233,1053 3.892,1054 4.62,1056 7.235,1057 3.459,1058 7.311,1059 0.656,1060 8.832,1061 2.539,1062 5.872,1063 7.031,1064 1.935,1065 10.295,1066 5.517,1067 8.637,1068 0.618,1069 10.518,1070 1.537,1071 6.236,1072 7.559,1074 11.918,1075 5.691,1076 9.99,1078 12.241,1079 1.372,1080 7.688,1081 9.431,1082 2.398,1083 14.492,1084 7.195,1085 11.362,1086 -0.09,1087 13.989,1089 8.42,1090 10.334,1092 16.471,1093 7.774,1094 12.75,1095 -0.514,1096 15.756,1097 -0.224,1098 9.655,1099 11.964,1100 2.894,1101 18.869,1102 9.026,1103 3.03,1104 -0.515,1105 17.538,1106 -1.242,1107 10.567,1108 13.064,1110 21.013,1111 9.814,1112 2.846,1113 10.033,1114 19.332,1115 -1.242,1116 11.711,1117 14.571,1118 3.407,1119 23.343,1120 10.945,1121 2.554,1122 8.7,1123 21.135,1124 3.931,1125 12.71,1126 15.78,1128 25.565,1129 11.843,1130 2.264,1131 7.252,1132 22.947,1133 3.877,1134 13.817,1135 17.221,1136 3.929,1137 27.87,1138 12.916,1139 2.117,1140 6.283,1141 24.766,1142 3.483,1143 14.86,1144 18.492,1146 30.129,1147 13.872,1148 1.792,1149 5.817,1150 26.59,1151 2.88,1152 15.953,1153 19.897,1154 4.457,1155 32.426,1156 14.918,1157 1.479,1158 4.88,1159 28.42,1160 2.773,1161 17.018,1162 21.204,1164 34.704,1165 15.906,1166 6629,1167 13409,1168 17.8,1169 29.989,1170 40.203,1171 40.727,1172 40.77,1173 40.17,1174 39.55,1175 52.093,1176 3.509,1177 110.849,1178 34.968,1179 5.226,1180 5.461,1181 6.084,1182 5.055,1183 5.03,1184 6.931,1185 2.615,1186 16.817,1187 4.832,1188 12.744,1189 1.489,1190 1.508,1191 1.51,1192 1.488,1193 1.465,1194 1.929,1195 0.13,1196 4.106,1197 1.295,1198 4.003,1199 4.041,1200 4.119,1201 3.921,1202 5.047,1203 3.916,1204 3.9,1205 3.925,1206 4.074,1207 3.858,1208 5.001,1209 3.846,1210 3.85,1211 3.883,1212 3.851,1213 3.677,1214 4.945,1215 3.703,1216 3.388,1217 3.418,1218 3.608,1219 3.216,1220 4.65,1221 3.222,1222 3.101,1223 3.154,1224 3.589,1225 3.002,1226 4.626,1227 2.98,1228 2.88,1229 2.922,1230 3.339,1231 2.802,1232 4.491,1233 2.772,1234 2.878,1235 2.922,1236 3.134,1237 2.795,1238 4.094,1239 2.767,1240 2.768,1241 2.812,1242 2.922,1243 2.652,1244 3.999,1245 2.629,1246 0.16,1247 0.128,1248 0.24,1249 0.147,1250 0.112,1251 4.324,1252 0.146,1253 3.461,1254 0.048,1255 6.469,1256 0.372,1257 3.971,1258 0.105,1259 3.03,1260 3.931,1261 1.307,1262 10.033,1263 2.832,1264 1.922,1265 1.907,1266 1.995,1267 2.016,1268 1.232,1269 2.019,1270 1.879,1271 1.864,1272 1.941,1273 1.936,1274 1.122,1275 1.953,1276 1.587,1277 1.529,1278 1.741,1279 1.792,1280 0.921,1281 1.786,1282 1.31,1283 1.252,1284 1.493,1285 1.527,1286 0.598,1287 1.52,1288 1.206,1289 1.158,1290 1.41,1291 1.454,1292 0.49,1293 1.445,1294 1.015,1295 0.97,1296 1.232,1297 1.178,1298 0.303,1299 1.212,1300 0.868,1301 0.824,1302 1.099,1303 1.017,1304 0.169,1305 1.06,1306 0.868,1307 0.824,1308 1.097,1309 1.015,1310 0.168,1311 1.059,1312 4.007,1314 5.313,1315 2.398,1316 6.797,1317 4.443,1318 8.366,1319 6.26,1320 9.98,1323 24.539,1328 0.89,1330 6.125,1332 -0.286,1340 28.282,1341 67.769,1342 132.482,1343 168.621,1344 186.131,1345 194.131,1346 200.131,1347 42.809,1348 6.698,1349 27.05,1350 27.05,1351 17,1352 12.227,1353 4.17,1354 3.248,1355 41.456,1356 82,1357 93,1358 0.232,1359 188.75,1360 320.69,1361 452.309,1362 6020,1363 10.3,1364 17.811,1365 0.712,1366 0.641,1367 19.811,1368 16.026,1369 12.025,1370 0.445,1371 0.333,1372 7.528,1373 10.524,1374 7.233,1375 5.918,1376 13.18,1377 9.001,1378 10.939,1379 0.296,1380 0.193,1381 12.497,1382 7.148,1383 8.732,1384 0.19,1385 0.105,1386 9.941,1387 4.85,1388 7.155,1389 0.126,1390 0.06,1391 8.6,1392 3.412,1393 4.943,1394 0.077,1395 0.032,1396 5.68,1397 2.036,1398 0.358,1399 86.872,1400 0.237,1401 24.119,1402 0.656,1403 128,1404 407.839,1405 197.145,1406 513.955,1407 652.8,1408 476,1409 147,1410 373.926,1411 198.17,1412 420.267,1413 610.23,1414 393,1415 4.729}
{0 CHEMBL9113,1 0.997,2 3.286,3 2.316,4 5.365,5 31.099,6 6.143,7 0.857,8 2.743,9 2.871,10 2.16,11 2.402,12 3.761,13 2.313,14 3.174,15 3.37,16 2.314,17 2.666,18 4.078,19 2.536,20 3.277,21 3.514,22 2.02,23 2.598,24 4.089,25 2.4,26 3.14,27 3.475,28 1.152,29 2.128,30 3.705,31 1.811,32 2.473,33 2.862,34 0.331,35 1.304,36 2.833,37 0.959,38 1.298,39 1.682,40 0.021,41 0.361,42 1.386,43 0.189,56 0.013,57 0.172,58 3.341,59 1.527,60 3.58,61 2.161,62 0.021,63 0.266,64 5.171,65 2.364,66 5.161,67 3.345,68 0.023,69 0.292,70 5.682,71 2.598,72 6.296,73 3.675,74 0.019,75 0.246,76 4.78,77 2.185,78 5.346,79 3.091,80 0.009,81 0.118,82 2.297,83 1.05,84 2.568,85 1.485,86 0.002,87 0.028,88 0.548,89 0.251,90 0.593,91 0.354,104 2,105 8,106 0.239,107 0.49,108 0.567,109 0.689,110 0.733,111 0.733,112 2.16,113 1.033,114 -3.84,115 -3.8,116 -3.61,121 46.7,122 1,144 5,145 1,176 7,187 8,200 5,214 1,281 14,282 4.69,283 4.69,284 4.69,285 4.69,286 4.69,287 3.887,288 2.425,289 3.059,290 4.69,291 3.466,292 3.466,293 3.466,294 3.466,295 3.466,296 2.405,297 1.471,298 1.487,299 3.466,300 2.91,301 1.865,302 1.541,303 1.034,304 0.85,305 0.85,306 2.686,312 1,313 45,314 0.707,318 18.267,325 0.408,326 0.69,329 1,330 0.5,331 0.83,332 0.5,334 1,335 1,336 0.69,337 14,338 23,339 3.836,340 2.573,341 5.047,342 3.414,343 2.414,344 3.399,346 6.124,347 2.414,348 2.862,349 1.497,350 3.492,351 2.414,352 1.414,353 2.018,355 2.919,356 1.414,357 2.5,358 1,359 3.247,360 2,361 1,362 1.5,364 2.136,365 1,366 0.915,367 -0.132,368 1.621,369 0.586,370 -0.414,371 -0.518,373 -0.838,374 -0.414,375 0.5,376 -1,377 1.555,379 -1,380 -1.5,382 -2.347,383 -1,384 -0.112,385 -1.258,386 0.84,387 -0.414,388 -1.414,389 -1.899,391 -3.206,392 -1.414,393 -0.5,394 -2,395 0.198,396 -1,397 -2,398 -3,400 -4.789,401 -2,474 3.5,475 0.5,476 0.106,477 0.015,478 9.5,479 1.357,480 6,481 0.857,482 3.5,483 0.5,484 2.786,485 0.398,486 7.3,487 0.487,488 3.841,489 0.549,490 2.041,491 0.292,492 1.353,493 0.193,494 0.143,496 0.143,501 1,502 1,503 1,504 1,505 1.117,506 1,507 1.016,508 1.016,509 1.016,510 1.016,511 0.875,512 1.016,513 1.25,514 1.25,515 1.25,516 1.25,517 1.266,518 1.25,519 1.016,520 1.016,521 1.016,522 1.016,523 1.043,524 1.016,525 0.625,526 0.625,527 0.625,528 0.625,529 0.67,530 0.625,549 1,551 0.444,552 0.188,553 0.111,559 157,560 316,561 1.919,562 53.3,563 3,564 5,572 1.241,573 1.826,574 1.986,575 -0.936,582 14.952,583 0.997,584 2.042,585 2.366,586 2.873,587 3.057,588 3.057,589 0.863,590 2.236,591 2.796,592 1.761,593 36.978,594 4.255,595 178.703,600 58.603,601 1.149,602 2.753,603 0.143,605 0.056,606 0.038,607 0.111,613 0.347,614 1,615 0.88,616 0.802,617 17.341,622 -0.106,624 -0.051,625 -0.051,626 -0.051,627 -0.051,628 0.04,629 -0.051,630 -0.325,631 -0.325,632 -0.325,633 -0.325,634 -0.319,635 -0.325,636 -0.129,637 -0.129,638 -0.129,639 -0.129,640 -0.14,641 -0.129,642 0.25,643 0.25,644 0.25,645 0.25,646 0.213,647 0.25,648 0.875,649 0.875,650 0.875,651 0.875,652 0.851,653 0.875,666 0.345,667 0.083,668 0.857,669 1.143,670 0.969,671 1.111,672 2.608,673 6.802,674 0.67,675 2.079,676 2.197,677 2.197,678 2.197,679 2.197,680 1.099,685 2.182,686 0.607,687 92.15,688 2.079,689 3.434,690 4.143,691 4.89,692 5.617,693 6.368,694 7.099,695 7.851,696 8.584,697 9.336,715 5,720 1,722 6,741 15,743 6,744 1,745 7,747 15,748 7,749 6,750 1,751 5,756 1,757 1,763 1,772 6,773 1,793 8,808 1,829 1,859 1,864 1,868 7,901 3.833,902 2.917,903 1.667,904 0.861,907 1.228,908 1.315,909 0.927,910 1.117,911 5.119,912 2.398,913 2.862,914 3.248,915 3.641,916 4.038,917 2.784,922 0.333,923 5,924 2.565,925 -0.11,926 0.947,927 -0.147,929 7.452,930 0.001,931 5.017,932 -0.037,933 3.643,934 -0.074,935 0.009,936 1.952,937 13.667,938 0.092,941 94.169,942 59.392,948 59.392,949 94.169,951 8.825,953 47.381,955 3.186,957 94.169,959 94.169,960 59.392,964 94.169,968 8.825,969 50.567,972 94.169,974 59.392,977 94.169,978 3.186,979 56.206,982 94.169,984 59.392,986 0.538,987 0.274,988 0.126,989 0.062,990 4,991 1,995 1,996 1.857,997 26.454,999 6,1000 12.897,1005 4.382,1006 1.784,1007 1.039,1010 10.262,1015 1.322,1018 153.561,1019 10,1031 14.534,1032 16.661,1034 0.255,1035 0.523,1036 0.605,1037 0.735,1038 0.782,1039 0.782,1040 3.45,1042 4.007,1043 -4.789,1044 2.833,1045 3.526,1047 4.511,1048 2.833,1049 4.577,1051 5.371,1053 1.946,1054 2.674,1056 4.691,1057 1.946,1058 5.782,1060 6.828,1062 4.111,1063 5.542,1065 7.679,1066 4.111,1067 7.022,1069 8.337,1071 3.932,1072 5.395,1074 8.69,1075 3.932,1076 8.289,1078 9.881,1080 5.638,1081 7.787,1083 11.109,1084 5.638,1085 9.575,1087 11.447,1089 5.861,1090 8.04,1092 12.481,1093 5.861,1094 10.875,1096 13.029,1098 7.276,1099 10.121,1101 14.636,1102 7.276,1103 2.414,1105 14.623,1107 7.73,1108 10.624,1110 16.192,1111 7.73,1112 1.414,1113 6.124,1114 16.225,1116 8.964,1117 12.494,1119 18.206,1120 8.964,1121 1,1122 2.919,1123 17.832,1124 3.399,1125 9.56,1126 13.168,1128 19.864,1129 9.56,1130 -0.414,1131 2.136,1132 19.443,1133 2.018,1134 10.679,1135 14.886,1137 21.798,1138 10.679,1139 -1,1140 -0.838,1141 21.056,1142 1.5,1143 11.367,1144 15.686,1146 23.516,1147 11.367,1148 -1.414,1149 -2.347,1150 22.671,1151 -0.518,1152 12.41,1153 17.29,1155 25.402,1156 12.41,1157 -2,1158 -3.206,1159 24.288,1160 -1.5,1161 13.159,1162 18.185,1164 27.157,1165 13.159,1166 194,1167 296,1168 4.564,1169 10.046,1170 9.823,1171 9.558,1172 9.858,1173 9.657,1174 9.657,1175 13.834,1177 22.357,1178 9.657,1179 4.336,1180 4.573,1181 4.849,1182 4.414,1183 4.414,1184 6.399,1186 10.912,1187 4.414,1188 2.229,1189 1.403,1190 1.365,1191 1.408,1192 1.38,1193 1.38,1194 1.976,1196 3.194,1197 1.38,1198 3.902,1199 3.936,1200 3.821,1201 3.845,1202 4.763,1203 3.835,1204 3.17,1205 3.257,1206 2.965,1207 3.025,1208 3.9,1209 3,1210 2.854,1211 2.925,1212 2.687,1213 2.735,1214 3.674,1215 2.715,1216 2.487,1217 2.594,1218 2.191,1219 2.285,1220 3.143,1221 2.247,1222 1.602,1223 1.802,1224 1.039,1225 1.217,1226 1.992,1227 1.144,1228 1.464,1229 1.68,1230 0.844,1231 1.042,1232 1.77,1233 0.961,1234 0.958,1235 1.207,1236 0.341,1237 0.55,1238 1.189,1239 0.466,1240 0.941,1241 1.207,1242 0.083,1243 0.38,1244 0.999,1245 0.262,1246 0.548,1247 0.368,1248 0.721,1249 0.488,1250 0.345,1251 3.836,1252 0.486,1253 2.573,1255 5.047,1256 0.875,1257 3.414,1258 0.345,1259 2.414,1260 3.399,1262 6.124,1263 2.414,1264 1.906,1265 1.876,1266 2.047,1267 1.989,1268 1.116,1269 2.011,1270 1.208,1271 1.128,1272 1.553,1273 1.418,1274 0.604,1275 1.469,1276 0.886,1277 0.821,1278 1.181,1279 1.062,1280 0.218,1281 1.107,1282 0.534,1283 0.431,1284 0.929,1285 0.78,1286 0.004,1287 0.837,1290 0.381,1291 0.133,1293 0.23,1296 0.291,1297 0.03,1299 0.133,1312 2.708,1314 3.85,1316 5.209,1318 6.653,1320 8.124,1322 2.083,1340 9.107,1341 14.952,1342 30.629,1343 35.484,1344 43.094,1345 45.848,1346 45.848,1347 3.68,1348 3.892,1351 6,1352 9.978,1353 2.807,1354 2,1355 9.972,1356 10,1357 5,1358 0.643,1359 61.741,1360 98.48,1361 142.409,1362 131,1364 5.113,1365 0.73,1366 0.627,1367 5.113,1368 4.387,1369 3.394,1370 0.485,1371 0.344,1372 2.411,1373 3.394,1374 2.279,1375 1.973,1376 3.394,1377 2.411,1378 2.743,1379 0.343,1380 0.207,1381 2.743,1382 1.655,1383 1.894,1384 0.237,1385 0.118,1386 1.894,1387 0.94,1388 1.307,1389 0.163,1390 0.067,1391 1.307,1392 0.534,1393 0.901,1394 0.113,1395 0.038,1396 0.901,1397 0.304,1398 0.864,1399 20.363,1400 0.468,1401 6.529,1402 2.022,1403 30,1404 62,1405 30,1406 66.145,1407 90.31,1408 62,1409 31,1410 64,1411 31,1412 69.007,1413 93.92,1414 64,1415 5.31}
{0 CHEMBL91240,1 1.284,2 14.724,3 5.654,4 31.968,5 123.636,6 6.552,7 0.563,8 4.141,9 4.281,10 3.613,11 3.715,12 5.111,13 3.656,14 4.697,15 4.898,16 3.914,17 4.111,18 5.56,19 4.018,20 4.995,21 5.243,22 3.943,23 4.261,24 5.771,25 4.121,26 5.081,27 5.37,28 3.825,29 4.211,30 5.797,31 4.043,32 5.008,33 5.3,34 3.755,35 4.138,36 5.75,37 3.979,38 4.918,39 5.201,40 3.641,41 4.081,42 5.636,43 3.904,44 4.839,45 5.131,46 3.508,47 3.968,48 5.523,49 3.781,50 4.708,51 5.002,52 3.414,53 3.838,54 5.409,55 3.663,56 0.092,57 0.862,58 13.685,59 5.626,60 11.569,61 8.068,62 0.185,63 1.413,64 24.516,65 9.312,66 19.19,67 13.706,68 0.243,69 1.781,70 33.404,71 12.583,72 27.279,73 18.674,74 0.272,75 1.844,76 36.913,77 13.105,78 31.215,79 19.888,80 0.304,81 1.727,82 34.566,83 11.563,84 33.475,85 17.8,86 0.255,87 1.564,88 31.228,89 11.512,90 27.632,91 17.202,92 0.2,93 1.418,94 28.815,95 10.692,96 23.833,97 16.025,98 0.226,99 1.256,100 25.423,101 9.064,102 23.158,103 13.673,104 2,105 42,106 0.209,107 0.503,108 0.675,109 0.775,110 0.822,111 0.828,112 3.407,113 1.001,114 -6.16,115 -6,116 -5.58,121 42.4,122 1,123 3,124 1,127 4,144 11,145 3,148 1,149 1,168 1,176 17,180 6,183 1,185 2,187 17,192 9,195 1,197 2,200 10,206 9,211 3,214 9,219 6,224 1,227 12,232 4,235 1,237 2,239 13,244 2,249 2,251 10,255 1,256 1,261 2,264 8,268 1,269 1,274 2,277 7,281 1405,282 20.137,283 20.137,284 20.137,285 20.137,286 20.137,287 17.921,288 20.558,289 12.35,290 20.383,291 15.854,292 15.854,293 15.854,294 15.854,295 15.854,296 12.705,297 29.117,298 5.942,299 16.24,300 4.598,301 2.791,302 1.73,303 1.115,304 0.826,305 0.792,306 4.111,312 1,313 937,314 2.739,318 441.802,325 2.354,326 11.284,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 60,338 427,339 4.385,340 3.085,341 6.46,342 4,343 3.017,344 4.065,345 0.916,346 9.986,347 2.965,348 3.941,349 3.018,350 5.617,351 3.69,352 2.727,353 3.457,354 0.4,355 7.789,356 2.634,357 3.825,358 2.604,359 5.42,360 3.481,361 2.494,362 3.344,363 0.172,364 7.142,365 2.472,366 3.604,367 2.531,368 5.326,369 3.399,370 2.428,371 2.72,373 6.932,374 2.352,375 3.387,376 2.244,377 4.958,378 3.047,379 2.09,380 2.631,382 5.867,383 1.992,384 3.173,385 2.131,386 4.921,387 2.956,388 1.985,389 2.242,391 5.442,392 1.918,393 2.911,394 1.575,395 4.032,396 2.486,397 1.496,398 2.074,400 3.515,401 1.48,402 2.826,403 1.524,404 3.599,405 2.422,406 1.427,407 1.928,409 3.05,410 1.418,411 2.614,412 1.335,413 3.52,414 2.176,415 1.212,416 1.666,418 2.719,419 1.165,420 2.5,421 1.083,422 3.436,423 2.02,424 1.046,425 1.5,427 2.45,428 1.016,429 2.5,430 1.077,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.206,439 1,440 3.247,441 2,442 1,443 1.187,445 2.136,446 1,447 2,448 1,449 3.247,450 1.984,451 1,452 1,454 2.136,455 0.983,456 1.417,457 0.431,458 2.912,459 1.238,460 0.272,461 0.297,463 0.669,464 0.262,465 1.235,466 0.17,467 2.7,468 0.98,474 14.1,475 0.486,476 0.482,477 0.017,478 36.25,479 1.25,480 18.5,481 0.638,482 17.75,483 0.612,484 25.246,485 0.871,486 30.9,487 0.524,488 23.515,489 0.811,490 6.951,491 0.24,492 7.325,493 0.253,494 0.035,496 0.241,501 0.83,502 1.226,503 0.918,504 1.087,505 0.774,506 1.023,507 1.16,508 1.142,509 1.039,510 1.061,511 0.786,512 1.044,513 1.03,514 1.15,515 1.058,516 1.109,517 0.851,518 1.089,519 1.158,520 1.063,521 0.992,522 0.987,523 0.948,524 0.979,525 1.541,526 0.905,527 1.045,528 0.862,529 1.317,530 0.906,531 1.103,532 0.953,533 1.059,534 0.998,535 1.142,536 1.02,537 1.002,538 1.017,539 1.005,540 1.011,541 1.116,542 1.008,543 1.182,544 0.882,545 1.009,546 0.908,547 1.241,548 0.938,549 4.5,550 0.103,551 2.222,552 1.313,553 1.018,554 0.583,555 0.481,556 0.214,557 0.176,558 0.124,559 13788,560 27585,561 2.154,562 50.8,563 4,564 19,567 1,569 6,572 1.709,573 2.096,574 3.823,575 -0.439,582 75.773,583 1.284,584 3.092,585 4.152,586 4.768,587 5.056,588 5.09,589 3.263,590 4.116,591 4.829,592 4.007,593 1626.76,594 8.355,595 24161.4,600 347.076,601 1,602 4.824,603 0.141,604 0.005,605 0.053,606 0.032,607 0.029,608 0.018,609 0.017,610 0.009,611 0.008,612 0.006,613 0.316,614 0.33,615 0.88,616 0.335,617 153.001,618 0.183,619 -0.036,620 0.069,621 -0.008,622 0.172,623 0.016,624 -0.004,625 -0.025,626 -0.043,627 -0.043,628 0.105,629 -0.045,630 0.017,631 -0.123,632 -0.071,633 -0.117,634 0.074,635 -0.103,636 -0.028,637 -0.091,638 0.003,639 -0.035,640 0.079,641 -0.017,642 -0.184,643 0.097,644 -0.033,645 0.065,646 -0.141,647 0.034,648 -0.046,649 0.022,650 -0.071,651 -0.032,652 -0.133,653 -0.05,654 -0.032,655 -0.07,656 -0.023,657 -0.044,658 -0.12,659 -0.035,660 -0.029,661 0.088,662 -0.013,663 0.04,664 -0.142,665 0.019,666 0.788,667 1.445,668 0.828,669 35.253,670 0.981,671 1.125,672 4.927,673 24.271,674 0.66,675 3.497,676 3.761,677 3.989,678 4.205,679 4.407,680 4.344,681 4.431,682 4.5,683 4.522,684 4.595,685 8.487,686 0.609,687 386.59,688 3.497,689 5.004,690 5.826,691 6.668,692 7.502,693 8.348,694 9.186,695 10.035,696 10.876,697 11.726,698 6.8,701 1,703 1,708 2,715 11,716 2,720 5,722 18,734 1,741 59,743 18,744 2,745 32,747 62,748 25,749 16,750 2,751 10,756 4,757 4,763 1,767 2,768 1,770 3,772 16,773 9,774 1,793 30,794 4,795 1,796 4,802 4,808 1,821 1,829 4,855 1,859 4,864 1,868 29,876 7,877 1,880 1,881 1,901 13.833,902 10.6,903 6.472,904 3.766,907 2.907,908 1.385,909 0.988,910 6.662,911 10.449,912 3.738,913 4.256,914 4.76,915 5.271,916 5.771,917 5.783,918 6.099,919 6.377,920 6.559,921 6.782,922 0.9,923 41,924 10.727,926 4.421,927 0.026,929 7.385,931 21.434,933 17.754,936 1.885,937 54.667,941 341.362,942 143.732,943 54.461,948 143.732,949 341.362,950 54.461,951 8.825,952 16.026,953 104.239,954 51.337,955 15.438,956 2.328,957 341.362,959 341.362,960 198.193,964 270.735,965 70.627,968 30.733,969 116.123,970 51.337,972 341.362,973 54.461,974 143.732,977 341.362,978 30.668,979 116.188,980 18.011,981 33.326,982 341.362,983 54.461,984 143.732,986 0.565,987 0.322,988 0.175,989 0.096,990 19,991 7,992 0.113,993 7,995 1,996 4.379,997 236.579,999 24,1000 126.881,1005 19.757,1006 9.779,1007 5.501,1009 54.461,1010 23.153,1011 8.833,1015 5.528,1017 18.011,1018 539.555,1019 41,1031 57.894,1032 66.391,1034 0.218,1035 0.526,1036 0.706,1037 0.81,1038 0.86,1039 0.865,1040 4.938,1041 1.427,1042 5.759,1043 3.515,1044 4.443,1045 4.942,1046 1.038,1047 6.479,1048 4.396,1049 6.084,1050 1.212,1051 7.252,1052 3.05,1053 3.761,1054 4.388,1055 0.325,1056 7.168,1057 3.68,1058 7.338,1059 1.046,1060 8.843,1061 2.719,1062 5.943,1063 6.996,1064 0.697,1065 10.248,1066 5.848,1067 8.624,1068 1,1069 10.496,1070 2.45,1071 6.111,1072 7.29,1073 0.393,1074 11.818,1075 5.986,1076 9.944,1077 1,1078 12.19,1079 2.275,1080 7.7,1081 9.34,1082 0.537,1083 14.378,1084 7.562,1085 11.288,1086 1,1087 13.914,1088 2.136,1089 8.295,1090 10.078,1091 0.384,1092 16.336,1093 8.131,1094 12.651,1095 0.272,1096 15.659,1097 2.136,1098 9.608,1099 11.844,1100 0.438,1101 18.718,1102 9.43,1103 3.017,1105 17.423,1106 0.669,1107 10.431,1108 12.844,1109 0.351,1110 20.857,1111 10.231,1112 2.727,1113 9.986,1114 19.2,1116 11.612,1117 14.449,1118 0.366,1119 23.178,1120 11.397,1121 2.494,1122 7.789,1123 20.989,1124 4.065,1125 12.558,1126 15.606,1127 0.312,1128 25.402,1129 12.323,1130 2.428,1131 7.142,1132 22.789,1133 3.457,1134 13.679,1135 17.118,1136 0.309,1137 27.705,1138 13.428,1139 2.09,1140 6.932,1141 24.598,1142 3.344,1143 14.691,1144 18.372,1145 0.273,1146 29.969,1147 14.422,1148 1.985,1149 5.867,1150 26.414,1151 2.72,1152 15.787,1153 19.832,1154 0.262,1155 32.267,1156 15.502,1157 1.496,1158 5.442,1159 28.237,1160 2.631,1161 16.835,1162 21.144,1163 0.236,1164 34.549,1165 16.532,1166 12801,1167 18240,1168 22.246,1169 38.921,1170 46.704,1171 46.465,1172 46.871,1173 46.412,1174 46.386,1175 59.221,1176 2.978,1177 124.211,1178 45.313,1179 5.385,1180 5.085,1181 6.262,1182 5.042,1183 5.017,1184 7.065,1185 1.605,1186 16.71,1187 4.965,1188 7.031,1189 1.46,1190 1.452,1191 1.465,1192 1.45,1193 1.45,1194 1.851,1195 0.093,1196 3.882,1197 1.416,1198 4.008,1199 4.052,1200 3.952,1201 3.921,1202 5.044,1203 3.921,1204 3.94,1205 3.982,1206 3.861,1207 3.861,1208 4.756,1209 3.856,1210 3.829,1211 3.876,1212 3.72,1213 3.728,1214 4.701,1215 3.718,1216 3.738,1217 3.787,1218 3.661,1219 3.624,1220 4.335,1221 3.628,1222 3.464,1223 3.544,1224 3.316,1225 3.277,1226 4.129,1227 3.276,1228 3.199,1229 3.284,1230 3.049,1231 3.022,1232 4.037,1233 3.017,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.811,1239 2.91,1240 3.049,1241 3.15,1242 2.856,1243 2.844,1244 3.674,1245 2.834,1246 0.137,1247 0.096,1248 0.202,1249 0.125,1250 0.094,1251 4.385,1252 0.127,1253 3.085,1254 0.029,1255 6.46,1256 0.312,1257 4,1258 0.093,1259 3.017,1260 4.065,1261 0.916,1262 9.986,1263 2.965,1264 1.954,1265 1.925,1266 2.102,1267 2.076,1268 1.481,1269 2.086,1270 1.933,1271 1.896,1272 2.052,1273 2.047,1274 1.167,1275 2.049,1276 1.84,1277 1.79,1278 2.013,1279 1.954,1280 1.144,1281 1.976,1282 1.716,1283 1.673,1284 1.863,1285 1.861,1286 1.007,1287 1.866,1288 1.45,1289 1.372,1290 1.718,1291 1.668,1292 0.908,1293 1.69,1294 1.188,1295 1.112,1296 1.513,1297 1.422,1298 0.825,1299 1.446,1300 1.153,1301 1.064,1302 1.471,1303 1.376,1304 0.682,1305 1.429,1306 1.047,1307 0.953,1308 1.377,1309 1.309,1310 0.46,1311 1.339,1312 4.174,1314 5.451,1316 6.927,1318 8.487,1320 10.087,1322 2.102,1328 8.198,1329 3.475,1332 0.798,1333 2.58,1340 35.934,1341 75.773,1342 182.4,1343 244.983,1344 281.302,1345 298.321,1346 300.321,1347 38.129,1348 7.542,1349 41.05,1350 41.05,1351 24,1352 12.286,1353 4.248,1354 3.322,1355 45.261,1356 151,1357 132,1358 0.143,1359 221.836,1360 379.16,1361 533.04,1362 22632,1364 19.891,1365 0.686,1366 0.594,1367 19.891,1368 17.22,1369 14.276,1370 0.446,1371 0.334,1372 10.596,1373 13.973,1374 10.307,1375 8.599,1376 14.276,1377 10.676,1378 12.276,1379 0.292,1380 0.192,1381 12.276,1382 8.048,1383 10.182,1384 0.192,1385 0.11,1386 10.182,1387 5.847,1388 8.401,1389 0.127,1390 0.063,1391 8.401,1392 4.132,1393 6.774,1394 0.084,1395 0.036,1396 6.774,1397 2.939,1398 0.238,1399 87.631,1400 0.212,1401 28.671,1402 0.36,1403 148,1404 321.268,1405 155.299,1406 325.403,1407 458.73,1408 308,1409 169,1410 347.265,1411 177.437,1412 357.809,1413 514.34,1414 337,1415 7.678}
{0 CHEMBL91291,1 1.298,2 12.423,3 5.651,4 31.929,5 108.016,6 6.454,7 0.552,8 4.058,9 4.186,10 3.524,11 3.635,12 5,13 3.574,14 4.639,15 4.836,16 3.86,17 4.053,18 5.457,19 3.964,20 4.913,21 5.143,22 3.869,23 4.209,24 5.672,25 4.07,26 5.055,27 5.333,28 3.711,29 4.18,30 5.727,31 3.994,32 4.969,33 5.269,34 3.628,35 4.05,36 5.614,37 3.872,38 4.791,39 5.049,40 3.546,41 3.97,42 5.525,43 3.811,44 4.736,45 5.001,46 3.435,47 3.901,48 5.424,49 3.722,50 4.655,51 4.939,52 3.294,53 3.783,54 5.3,55 3.588,56 0.109,57 0.744,58 12.825,59 5.505,60 10.92,61 7.692,62 0.145,63 1.269,64 23.302,65 9.246,66 15.301,67 13.255,68 0.192,69 1.594,70 30.745,71 12.294,72 22.608,73 17.663,74 0.264,75 1.726,76 35.818,77 13.681,78 27.442,79 19.894,80 0.273,81 1.539,82 33.033,83 12.337,84 26.658,85 17.974,86 0.256,87 1.362,88 27.716,89 10.005,90 23.914,91 14.6,92 0.226,93 1.247,94 25.982,95 10.239,96 20.907,97 14.564,98 0.224,99 1.122,100 23.915,101 9.525,102 18.978,103 13.662,104 5,105 40,106 0.216,107 0.51,108 0.718,109 0.789,110 0.803,111 0.822,112 3.303,113 1.014,114 -5.35,115 -5.23,116 -4.89,121 42.6,122 2,123 4,124 1,127 3,144 7,145 4,148 1,154 1,168 1,176 16,180 7,187 19,192 9,200 13,206 9,214 7,219 8,227 12,232 2,239 14,243 1,244 1,251 14,255 1,256 1,264 10,269 3,277 6,281 984,282 17.809,283 17.809,284 17.809,285 17.809,286 17.809,287 15.823,288 17.148,289 10.58,290 17.951,291 14.332,292 14.332,293 14.332,294 14.332,295 14.332,296 11.435,297 16.779,298 5.084,299 14.558,300 4.456,301 2.686,302 1.434,303 1.005,304 0.917,305 0.806,306 4.005,312 1,313 712,314 2.646,317 60.976,318 251.368,321 112.758,325 2.006,326 10.858,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 54,338 323,339 4.584,340 3.221,341 6.575,342 4.124,343 3.131,344 4.541,345 0.916,346 10.455,347 3.11,348 3.942,349 3.018,350 5.82,351 3.692,352 2.727,353 3.457,354 0.172,355 7.814,356 2.639,357 3.926,358 2.793,359 5.617,360 3.563,361 2.57,362 3.433,364 7.76,365 2.549,366 3.605,367 2.555,368 5.34,369 3.454,370 2.456,371 2.693,373 6.956,374 2.451,375 3.333,376 2.252,377 5.097,378 3.049,379 2.091,380 2.606,382 5.962,383 1.998,384 3.157,385 2.025,386 4.945,387 2.876,388 1.888,389 2.24,391 5.75,392 1.861,393 2.875,394 1.676,395 4.381,396 2.476,397 1.485,398 2.018,400 4.144,401 1.471,402 2.81,403 1.515,404 3.618,405 2.407,406 1.414,407 1.905,409 3.042,410 1.403,411 2.5,412 1.091,413 3.594,414 2,415 1,416 1.5,418 2.355,419 1,420 2.365,421 1.077,422 3.414,423 1.984,424 1,425 1.316,427 2.275,428 0.983,429 2,430 1,431 3.248,432 1.962,433 0.969,434 1,436 2.136,437 0.961,438 1.81,439 0.79,440 3.247,441 1.678,442 0.688,443 0.752,445 1.657,446 0.68,447 1.286,448 0.364,449 2.811,450 1.107,451 0.127,452 0.141,454 0.316,455 0.124,456 1.093,457 0.088,458 2.649,459 0.849,460 -0.142,461 -0.168,463 -0.345,464 -0.141,465 0.864,466 -0.354,467 2.454,468 0.464,469 -0.526,470 -0.604,472 -1.22,473 -0.52,474 12.633,475 0.486,476 0.571,477 0.022,478 30,479 1.154,480 14,481 0.538,482 16,483 0.615,484 24.945,485 0.959,486 28.167,487 0.522,488 18.042,489 0.694,490 5.553,491 0.214,492 7.133,493 0.274,494 0.079,496 0.309,501 0.657,502 1.212,503 0.912,504 1.106,505 0.711,506 1.043,507 0.989,508 1.091,509 0.954,510 1.009,511 0.698,512 0.976,513 0.934,514 1.178,515 1.095,516 1.159,517 0.852,518 1.14,519 1.056,520 1.082,521 1.065,522 1.074,523 1.038,524 1.07,525 1.158,526 0.859,527 0.872,528 0.818,529 0.966,530 0.824,531 1.561,532 0.994,533 1.219,534 1.018,535 1.641,536 1.074,537 1.172,538 0.983,539 1.104,540 1.06,541 1.276,542 1.079,543 0.897,544 0.959,545 0.97,546 0.978,547 0.981,548 0.989,549 5,550 0.099,551 2.667,552 1.229,553 1.338,554 0.577,555 0.372,556 0.292,557 0.182,558 0.143,559 9518,560 18519,561 2.148,562 51.9,563 9,564 13,568 2,569 4,572 1.682,573 2.053,574 3.583,575 -0.874,582 70.116,583 1.298,584 3.069,585 4.321,586 4.75,587 4.838,588 4.949,589 3.075,590 4.133,591 4.673,592 3.758,593 1221.26,594 8.051,595 15996.4,600 310.764,601 1.239,602 4.65,603 0.172,604 0.006,605 0.067,606 0.032,607 0.045,608 0.02,609 0.014,610 0.013,611 0.009,612 0.008,613 0.386,614 0.5,615 1,616 0.465,617 130.268,618 0.274,619 -0.041,620 0.085,621 -0.003,622 0.218,623 0.019,624 -0.014,625 0.016,626 0.043,627 0.02,628 0.135,629 0.037,630 -0.043,631 -0.139,632 -0.115,633 -0.149,634 0.021,635 -0.138,636 -0.046,637 -0.116,638 -0.084,639 -0.11,640 -0.073,641 -0.102,642 -0.024,643 0.072,644 0.118,645 0.127,646 0.04,647 0.131,648 -0.226,649 0.035,650 -0.207,651 -0.067,652 -0.364,653 -0.122,654 -0.049,655 -0.019,656 -0.118,657 -0.08,658 -0.2,659 -0.102,660 0.086,661 -0.036,662 0.003,664 -0.058,665 -0.009,666 0.735,667 2.05,668 0.808,669 26.13,670 0.982,671 1.122,672 4.121,673 16.981,674 0.655,675 3.401,676 3.714,677 3.97,678 4.205,679 4.431,680 4.431,681 4.511,682 4.615,683 4.605,684 4.673,685 7.229,686 0.604,687 348.53,688 3.401,689 4.934,690 5.778,691 6.642,692 7.502,693 8.37,694 9.236,695 10.108,696 10.978,697 11.852,698 3.7,701 1,708 1,714 2,715 7,716 1,718 1,720 4,722 16,741 54,743 16,744 2,745 29,747 57,748 23,749 13,750 5,751 7,756 4,757 5,763 2,767 2,768 1,770 4,772 13,773 10,774 1,793 28,794 3,796 3,801 1,802 2,808 0.75,809 1,828 1,829 3,832 1,855 1,859 3,864 2,868 26,876 7,880 1,881 1,893 1.9,898 1,901 12.667,902 10.233,903 5.667,904 3.557,907 2.893,908 1.385,909 0.989,910 5.191,911 10.416,912 3.638,913 4.23,914 4.799,915 5.368,916 5.869,917 6.071,918 6.36,919 6.645,920 6.459,921 6.493,922 1,923 38,924 9.644,926 4.036,927 0.026,929 7.359,931 19.412,933 16.47,936 1.859,937 48.333,941 329.591,942 120.162,943 22.721,945 9.734,948 120.162,949 339.325,950 22.721,951 17.65,952 16.455,953 66.334,954 19.597,955 27.745,956 4.836,957 329.591,959 329.591,960 142.883,961 9.734,964 282.506,965 56.819,968 39.987,969 83.3,970 19.597,972 329.591,973 32.455,974 120.162,977 329.591,978 36.178,979 87.108,981 29.331,982 329.591,983 32.455,984 120.162,986 0.581,987 0.336,988 0.175,989 0.099,990 20,991 8,992 0.088,993 5,994 1,995 1.095,996 4,997 212.539,998 0.095,999 21,1000 114.211,1005 17.453,1006 7.734,1007 4.081,1008 2.135,1009 32.455,1010 15.159,1011 4.347,1013 5.55,1015 5.141,1018 482.208,1019 37,1031 53.018,1032 60.604,1034 0.226,1035 0.533,1036 0.751,1037 0.825,1038 0.841,1039 0.86,1040 4.868,1041 1.414,1042 5.746,1043 4.144,1044 4.394,1045 4.916,1046 0.918,1047 6.518,1048 4.365,1049 6.052,1050 1,1051 7.279,1052 3.042,1053 3.892,1054 4.677,1055 0.325,1056 7.31,1057 3.845,1058 7.345,1059 1,1060 8.907,1061 2.355,1062 5.953,1063 7.111,1064 0.671,1065 10.391,1066 5.896,1067 8.673,1068 0.969,1069 10.593,1070 2.275,1071 6.275,1072 7.763,1073 0.393,1074 12.029,1075 6.206,1076 10.036,1077 0.688,1078 12.315,1079 2.136,1080 7.782,1081 9.658,1082 0.533,1083 14.616,1084 7.703,1085 11.424,1086 0.127,1087 14.064,1088 1.657,1089 8.497,1090 10.747,1091 0.384,1092 16.634,1093 8.411,1094 12.834,1095 -0.142,1096 15.833,1097 0.316,1098 9.771,1099 12.417,1100 0.438,1101 19.054,1102 9.675,1103 3.131,1104 -0.526,1105 17.617,1106 -0.345,1107 10.685,1108 13.726,1109 0.351,1110 21.25,1111 10.584,1112 2.727,1113 10.455,1114 19.414,1115 -1.22,1116 11.859,1117 15.299,1118 0.366,1119 23.614,1120 11.75,1121 2.57,1122 7.814,1123 21.222,1124 4.541,1125 12.876,1126 16.714,1127 0.312,1128 25.892,1129 12.762,1130 2.456,1131 7.76,1132 23.04,1133 3.457,1134 14.012,1135 18.248,1136 0.309,1137 28.24,1138 13.891,1139 2.091,1140 6.956,1141 24.866,1142 3.433,1143 15.081,1144 19.714,1145 0.273,1146 30.554,1147 14.956,1148 1.888,1149 5.962,1150 26.699,1151 2.693,1152 16.204,1153 21.233,1154 0.262,1155 32.898,1156 16.074,1157 1.485,1158 5.75,1159 28.539,1160 2.606,1161 17.302,1162 22.724,1163 0.236,1164 35.23,1165 17.167,1166 8864,1167 12480,1168 19.879,1169 35.364,1170 43.21,1171 43.24,1172 43.689,1173 43.102,1174 43.092,1175 55.202,1176 2.178,1177 121.241,1178 42.458,1179 5.584,1180 5.221,1181 6.376,1182 5.159,1183 5.131,1184 7.541,1185 1.605,1186 17.284,1187 5.11,1188 9.554,1189 1.49,1190 1.491,1191 1.507,1192 1.486,1193 1.486,1194 1.904,1195 0.075,1196 4.181,1197 1.464,1198 4.113,1199 4.13,1200 4.078,1201 4.016,1202 5.255,1203 4.025,1204 3.948,1205 3.993,1206 3.863,1207 3.865,1208 4.756,1209 3.859,1210 3.818,1211 3.865,1212 3.702,1213 3.718,1214 4.477,1215 3.707,1216 3.556,1217 3.611,1218 3.456,1219 3.414,1220 4.32,1221 3.416,1222 3.344,1223 3.41,1224 3.206,1225 3.156,1226 3.978,1227 3.158,1228 3.162,1229 3.25,1230 2.977,1231 3.003,1232 3.842,1233 2.985,1234 3.111,1235 3.206,1236 2.875,1237 2.941,1238 3.68,1239 2.91,1240 3.084,1241 3.166,1242 2.866,1243 2.932,1244 3.674,1245 2.908,1246 0.158,1247 0.111,1248 0.227,1249 0.142,1250 0.108,1251 4.584,1252 0.157,1253 3.221,1254 0.032,1255 6.575,1256 0.361,1257 4.124,1258 0.107,1259 3.131,1260 4.541,1261 0.916,1262 10.455,1263 3.11,1264 1.976,1265 1.956,1266 2.109,1267 2.073,1268 1.488,1269 2.088,1270 1.93,1271 1.895,1272 2.061,1273 2.033,1274 1.253,1275 2.043,1276 1.835,1277 1.787,1278 2.009,1279 1.949,1280 1.158,1281 1.972,1282 1.524,1283 1.466,1284 1.752,1285 1.721,1286 1.014,1287 1.729,1288 1.254,1289 1.191,1290 1.567,1291 1.482,1292 0.825,1293 1.491,1294 1.216,1295 1.158,1296 1.513,1297 1.438,1298 0.719,1299 1.465,1300 1.153,1301 1.064,1302 1.507,1303 1.389,1304 0.629,1305 1.429,1306 1.132,1307 1.053,1308 1.428,1309 1.376,1310 0.591,1311 1.409,1312 4.078,1314 5.389,1315 2.398,1316 6.891,1317 4.727,1318 8.475,1319 6.823,1320 10.104,1322 4.286,1328 8.322,1332 0.806,1333 2.587,1340 32.606,1341 70.116,1342 165.713,1343 233.338,1344 256.499,1345 261.254,1346 267.254,1347 33.566,1348 7.522,1349 29.27,1350 29.27,1351 23,1352 12.393,1353 4.087,1354 3.17,1355 38.432,1356 115,1357 104,1358 0.163,1359 198.914,1360 336.63,1361 477.11,1362 20795,1364 17.933,1365 0.69,1366 0.61,1367 17.933,1368 15.871,1369 12.687,1370 0.437,1371 0.338,1372 9.735,1373 12.394,1374 9.404,1375 7.833,1376 12.687,1377 9.806,1378 11.391,1379 0.285,1380 0.195,1381 11.391,1382 7.806,1383 9.713,1384 0.187,1385 0.114,1386 9.713,1387 5.907,1388 7.749,1389 0.117,1390 0.061,1391 7.749,1392 4.04,1393 6.47,1394 0.078,1395 0.037,1396 6.47,1397 3.052,1398 0.265,1399 78.095,1400 0.224,1401 25.736,1402 0.422,1403 138,1404 303.026,1405 145.345,1406 300.373,1407 424.72,1408 284,1409 161,1410 328.136,1411 169.815,1412 334.357,1413 482.83,1414 314,1415 8.237}
{0 CHEMBL91432,1 1.263,2 14.839,3 6.566,4 43.118,5 132.838,6 6.379,7 0.529,8 4.229,9 4.371,10 3.674,11 3.797,12 5.172,13 3.732,14 4.795,15 5.001,16 3.966,17 4.195,18 5.629,19 4.092,20 5.101,21 5.36,22 4.009,23 4.347,24 5.841,25 4.199,26 5.165,27 5.452,28 3.94,29 4.315,30 5.869,31 4.15,32 5.12,33 5.403,34 3.932,35 4.28,36 5.873,37 4.131,38 5.082,39 5.357,40 3.85,41 4.262,42 5.832,43 4.097,44 5.048,45 5.333,46 3.699,47 4.191,48 5.751,49 4.001,50 4.971,51 5.274,52 3.558,53 4.072,54 5.631,55 3.87,56 0.102,57 0.94,58 15.405,59 6.325,60 12.38,61 9.128,62 0.2,63 1.543,64 27.464,65 10.503,66 20.535,67 15.535,68 0.266,69 1.942,70 37.292,71 14.106,72 28.698,73 21.03,74 0.282,75 2,76 39.894,77 14.358,78 30.896,79 21.822,80 0.322,81 1.948,82 38.464,83 12.929,84 34.942,85 20.027,86 0.318,87 1.874,88 36.888,89 13.028,90 33.735,91 19.8,92 0.257,93 1.757,94 35.394,95 12.967,96 30.176,97 19.565,98 0.259,99 1.583,100 32.705,101 12.155,102 28.188,103 18.232,104 4,105 44,106 0.202,107 0.492,108 0.685,109 0.79,110 0.831,111 0.836,112 3.471,113 1.036,114 -6.56,115 -6.39,116 -5.92,121 41.5,122 1,123 5,124 1,127 4,144 11,145 3,148 1,149 1,168 1,176 19,180 6,183 1,185 2,187 19,192 9,195 1,197 2,200 12,206 10,211 3,214 11,219 8,224 2,227 15,232 5,235 1,237 3,239 17,244 2,249 2,251 14,255 1,256 1,261 2,264 11,268 1,269 1,274 2,277 10,281 1707,282 21.714,283 21.714,284 21.714,285 21.714,286 21.714,287 19.551,288 21.771,289 13.484,290 21.96,291 16.83,292 16.83,293 16.83,294 16.83,295 16.83,296 13.692,297 29.117,298 6.404,299 17.215,300 4.759,301 2.938,302 1.732,303 1.073,304 0.812,305 0.781,306 4.175,312 1,313 1001,314 3.082,318 474.682,325 2.306,326 12.528,329 0.75,330 0.83,331 0.67,332 0.9,333 0.5,334 0.83,335 1,336 0.78,337 64,338 460,339 4.404,340 3.129,341 6.514,342 4.027,343 3.044,344 4.08,345 0.916,346 10.244,347 2.993,348 3.941,349 3.018,350 5.617,351 3.69,352 2.727,353 3.457,354 0.4,355 7.789,356 2.634,357 3.829,358 2.604,359 5.454,360 3.482,361 2.495,362 3.349,363 0.172,364 7.208,365 2.472,366 3.605,367 2.531,368 5.329,369 3.407,370 2.432,371 2.745,373 6.939,374 2.368,375 3.421,376 2.289,377 5.048,378 3.077,379 2.112,380 2.632,382 5.91,383 2.031,384 3.174,385 2.204,386 4.951,387 3.005,388 2.044,389 2.242,391 5.834,392 1.952,393 2.983,394 1.673,395 4.163,396 2.6,397 1.612,398 2.155,400 3.785,401 1.591,402 2.826,403 1.524,404 3.599,405 2.422,406 1.428,407 1.929,409 3.05,410 1.419,411 2.62,412 1.348,413 3.522,414 2.201,415 1.232,416 1.673,418 2.735,419 1.192,420 2.5,421 1.09,422 3.437,423 2.023,424 1.048,425 1.5,427 2.45,428 1.019,429 2.5,430 1.077,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.207,439 1,440 3.247,441 2,442 1,443 1.188,445 2.136,446 1,447 2.144,448 1,449 3.247,450 1.993,451 1,452 1.113,454 2.136,455 0.992,456 2,457 1,458 3.178,459 1.984,460 1,461 1,463 1.767,464 0.983,465 1.407,466 0.431,467 2.908,468 1.238,469 0.271,470 0.295,472 0.665,473 0.261,474 15.1,475 0.487,476 0.444,477 0.014,478 37.25,479 1.202,480 18.5,481 0.597,482 18.75,483 0.605,484 29.186,485 0.941,486 33.5,487 0.515,488 24.659,489 0.795,490 6.893,491 0.222,492 8.421,493 0.272,494 0.033,496 0.225,501 0.839,502 1.245,503 0.953,504 1.116,505 0.778,506 1.056,507 1.15,508 1.168,509 1.066,510 1.096,511 0.807,512 1.078,513 0.997,514 1.101,515 1.007,516 1.054,517 0.836,518 1.035,519 1.129,520 1.071,521 0.964,522 0.979,523 0.965,524 0.963,525 1.573,526 0.983,527 1.041,528 0.897,529 1.353,530 0.925,531 1.43,532 0.995,533 1.136,534 1.005,535 1.357,536 1.042,537 1.227,538 1.044,539 1.118,540 1.059,541 1.31,542 1.077,543 1.029,544 0.912,545 1.01,546 0.959,547 1.159,548 0.979,549 4.5,550 0.111,551 2.222,552 1.313,553 1.058,554 0.674,555 0.541,556 0.257,557 0.197,558 0.124,559 15802,560 30363,561 2.143,562 52.3,563 8,564 19,567 1,569 6,572 1.73,573 2.09,574 3.83,575 -0.457,582 82.098,583 1.263,584 3.084,585 4.29,586 4.949,587 5.211,588 5.242,589 3.256,590 4.503,591 4.925,592 4.021,593 1869.54,594 8.563,595 28943.7,600 391.454,601 0.964,602 4.922,603 0.132,604 0.005,605 0.051,606 0.03,607 0.026,608 0.017,609 0.015,610 0.009,611 0.008,612 0.005,613 0.297,614 0.33,615 0.88,616 0.639,617 166.309,618 0.188,619 -0.035,620 0.067,621 -0.008,622 0.189,623 0.016,624 0.004,625 -0.044,626 -0.052,627 -0.06,628 0.097,629 -0.06,630 0.046,631 -0.079,632 -0.014,633 -0.058,634 0.088,635 -0.043,636 0.002,637 -0.086,638 0.03,639 -0.018,640 0.06,641 0.004,642 -0.151,643 0.047,644 -0.023,645 0.038,646 -0.118,647 0.021,648 -0.136,649 0.033,650 -0.128,651 -0.05,652 -0.178,653 -0.082,654 -0.134,655 -0.06,656 -0.129,657 -0.095,658 -0.217,659 -0.109,660 -0.008,661 0.035,662 -0.028,663 -0.003,664 -0.125,665 -0.015,666 0.76,667 1.564,668 0.774,669 38.974,670 0.979,671 1.126,672 5.332,673 28.432,674 0.653,675 3.555,676 3.807,677 4.043,678 4.277,679 4.5,680 4.466,681 4.554,682 4.615,683 4.644,684 4.71,685 8.601,686 0.6,687 414.65,688 3.555,689 5.056,690 5.878,691 6.72,692 7.557,693 8.407,694 9.251,695 10.103,696 10.95,697 11.805,698 6.2,701 1,703 1,708 2,715 11,716 2,720 5,722 18,734 1,741 65,743 18,744 2,745 34,747 68,748 27,749 16,750 2,751 10,756 4,757 4,763 1,767 2,768 1,770 5,772 16,773 11,774 1,793 34,794 4,795 1,796 4,802 4,808 1,821 1,829 4,855 1,859 4,864 1,868 31,876 9,877 1,880 1,881 1,901 14.833,902 11.6,903 7.056,904 4.391,907 2.858,908 1.373,909 0.98,910 7.818,911 10.512,912 3.784,913 4.284,914 4.794,915 5.316,916 5.83,917 5.879,918 6.209,919 6.479,920 6.673,921 6.889,922 0.9,923 44,924 11.488,926 4.709,927 0.026,929 7.36,931 23.067,933 19.083,936 1.86,937 57.667,941 388.446,942 148.801,943 54.461,948 148.801,949 388.446,950 54.461,951 8.825,952 21.095,953 104.239,954 51.337,955 15.438,956 2.328,957 388.446,959 388.446,960 203.262,964 317.82,965 70.627,968 35.802,969 116.123,970 51.337,972 388.446,973 54.461,974 148.801,977 388.446,978 35.737,979 116.188,980 18.011,981 33.326,982 388.446,983 54.461,984 148.801,986 0.556,987 0.319,988 0.18,989 0.103,990 19,991 7,992 0.132,993 9,995 1,996 4.507,997 260.346,999 24,1000 141.58,1005 21.678,1006 11.181,1007 6.226,1009 54.461,1010 23.395,1011 9.034,1015 5.763,1017 18.011,1018 591.708,1019 43,1031 63.661,1032 73.221,1034 0.21,1035 0.512,1036 0.712,1037 0.822,1038 0.865,1039 0.87,1040 4.98,1041 1.428,1042 5.802,1043 3.785,1044 4.489,1045 4.97,1046 1.038,1047 6.524,1048 4.444,1049 6.115,1050 1.232,1051 7.292,1052 3.05,1053 3.761,1054 4.388,1055 0.325,1056 7.222,1057 3.68,1058 7.365,1059 1.048,1060 8.883,1061 2.735,1062 5.984,1063 7.015,1064 0.697,1065 10.317,1066 5.893,1067 8.649,1068 1,1069 10.537,1070 2.45,1071 6.133,1072 7.305,1073 0.393,1074 11.917,1075 6.011,1076 9.968,1077 1,1078 12.234,1079 2.275,1080 7.742,1081 9.357,1082 0.537,1083 14.489,1084 7.609,1085 11.312,1086 1,1087 13.962,1088 2.136,1089 8.333,1090 10.102,1091 0.384,1092 16.485,1093 8.175,1094 12.677,1095 1,1096 15.714,1097 2.136,1098 9.656,1099 11.866,1100 0.438,1101 18.884,1102 9.485,1103 3.044,1104 0.271,1105 17.483,1106 1.767,1107 10.483,1108 12.873,1109 0.351,1110 21.061,1111 10.292,1112 2.727,1113 10.244,1114 19.267,1115 0.665,1116 11.671,1117 14.476,1118 0.366,1119 23.405,1120 11.465,1121 2.495,1122 7.789,1123 21.064,1124 4.08,1125 12.626,1126 15.642,1127 0.312,1128 25.664,1129 12.402,1130 2.432,1131 7.208,1132 22.872,1133 3.457,1134 13.754,1135 17.154,1136 0.309,1137 27.991,1138 13.515,1139 2.112,1140 6.939,1141 24.689,1142 3.349,1143 14.775,1144 18.416,1145 0.273,1146 30.287,1147 14.52,1148 2.044,1149 5.91,1150 26.514,1151 2.745,1152 15.88,1153 19.876,1154 0.262,1155 32.611,1156 15.609,1157 1.612,1158 5.834,1159 28.346,1160 2.632,1161 16.937,1162 21.195,1163 0.236,1164 34.923,1165 16.65,1166 14800,1167 20648,1168 23.633,1169 42.444,1170 49.181,1171 48.988,1172 49.799,1173 48.918,1174 48.887,1175 61.716,1176 2.978,1177 129.842,1178 47.814,1179 5.404,1180 5.129,1181 6.316,1182 5.07,1183 5.044,1184 7.08,1185 1.605,1186 17.05,1187 4.993,1188 7.723,1189 1.447,1190 1.441,1191 1.465,1192 1.439,1193 1.438,1194 1.815,1195 0.088,1196 3.819,1197 1.406,1198 4.017,1199 4.06,1200 3.961,1201 3.93,1202 5.04,1203 3.93,1204 3.942,1205 3.984,1206 3.861,1207 3.862,1208 4.756,1209 3.856,1210 3.829,1211 3.876,1212 3.721,1213 3.728,1214 4.701,1215 3.719,1216 3.755,1217 3.802,1218 3.67,1219 3.655,1220 4.335,1221 3.652,1222 3.54,1223 3.623,1224 3.373,1225 3.355,1226 4.148,1227 3.349,1228 3.414,1229 3.494,1230 3.253,1231 3.237,1232 4.122,1233 3.23,1234 3.167,1235 3.248,1236 3.017,1237 3.004,1238 3.814,1239 2.995,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.767,1245 2.91,1246 0.13,1247 0.092,1248 0.192,1249 0.118,1250 0.09,1251 4.404,1252 0.12,1253 3.129,1254 0.027,1255 6.514,1256 0.301,1257 4.027,1258 0.088,1259 3.044,1260 4.08,1261 0.916,1262 10.244,1263 2.993,1264 1.961,1265 1.932,1266 2.102,1267 2.079,1268 1.481,1269 2.088,1270 1.933,1271 1.896,1272 2.062,1273 2.052,1274 1.262,1275 2.057,1276 1.84,1277 1.791,1278 2.013,1279 1.954,1280 1.163,1281 1.976,1282 1.751,1283 1.707,1284 1.94,1285 1.88,1286 1.071,1287 1.899,1288 1.53,1289 1.451,1290 1.775,1291 1.755,1292 1.004,1293 1.774,1294 1.404,1295 1.329,1296 1.651,1297 1.614,1298 0.825,1299 1.632,1300 1.166,1301 1.092,1302 1.513,1303 1.382,1304 0.786,1305 1.429,1306 1.153,1307 1.064,1308 1.451,1309 1.376,1310 0.675,1311 1.41,1312 4.234,1314 5.501,1316 6.971,1318 8.529,1320 10.133,1322 2.215,1328 10.342,1329 3.533,1332 0.797,1333 2.587,1340 38.988,1341 82.098,1342 200.484,1343 278.871,1344 321.679,1345 338.699,1346 340.699,1347 43.938,1348 7.653,1349 41.05,1350 41.05,1351 24,1352 12.361,1353 4.248,1354 3.322,1355 49.878,1356 163,1357 153,1358 0.146,1359 241.021,1360 413.76,1361 579.85,1362 25409,1364 21.305,1365 0.687,1366 0.601,1367 21.305,1368 18.634,1369 15.314,1370 0.45,1371 0.345,1372 11.657,1373 15.011,1374 11.36,1375 9.5,1376 15.314,1377 11.737,1378 12.847,1379 0.292,1380 0.196,1381 12.847,1382 8.64,1383 10.647,1384 0.19,1385 0.112,1386 10.647,1387 6.254,1388 8.878,1389 0.125,1390 0.063,1391 8.878,1392 4.495,1393 7.339,1394 0.082,1395 0.036,1396 7.339,1397 3.24,1398 0.241,1399 93.859,1400 0.206,1401 30.125,1402 0.371,1403 156,1404 329.268,1405 163.299,1406 333.387,1407 471.23,1408 316,1409 178,1410 357.265,1411 186.437,1412 367.275,1413 530.01,1414 347,1415 7.215}
{0 CHEMBL91774,1 1.28,2 14.75,3 6.076,4 36.92,5 135.045,6 6.816,7 0.639,8 4.203,9 4.334,10 3.715,11 3.808,12 5.194,13 3.755,14 4.752,15 4.936,16 4.031,17 4.216,18 5.642,19 4.13,20 5.065,21 5.305,22 4.093,23 4.368,24 5.861,25 4.241,26 5.133,27 5.407,28 4.017,29 4.32,30 5.9,31 4.177,32 5.081,33 5.358,34 3.977,35 4.275,36 5.871,37 4.143,38 5.006,39 5.265,40 3.87,41 4.257,42 5.788,43 4.104,44 4.975,45 5.247,46 3.748,47 4.183,48 5.703,49 4.01,50 4.875,51 5.152,52 3.629,53 4.063,54 5.599,55 3.89,56 0.091,57 0.891,58 13.76,59 5.845,60 11.777,61 8.212,62 0.182,63 1.494,64 24.901,65 9.852,66 19.061,67 14.12,68 0.242,69 1.937,70 35.296,71 13.788,72 28.156,73 20.024,74 0.278,75 2.037,76 38.804,77 14.111,78 33.555,79 20.918,80 0.319,81 1.952,82 37.106,83 12.806,84 36.468,85 19.135,86 0.274,87 1.797,88 33.781,89 12.816,90 31.451,91 18.702,92 0.209,93 1.692,94 32.845,95 12.914,96 27.9,97 18.821,98 0.24,99 1.538,100 29.921,101 11.388,102 27.05,103 16.668,105 48,106 0.204,107 0.489,108 0.632,109 0.76,110 0.83,111 0.841,112 3.502,113 0.973,114 -6.61,115 -6.43,116 -5.97,121 45.2,123 3,124 1,127 4,144 14,145 4,148 1,149 1,168 1,176 21,180 6,183 1,185 2,187 22,192 10,195 1,197 3,200 13,206 12,211 4,214 11,219 8,224 2,227 18,232 4,235 1,237 2,239 21,244 2,249 2,251 18,255 1,256 1,261 2,264 12,268 1,269 2,274 2,277 9,281 1828,282 22.551,283 22.551,284 22.551,285 22.551,286 22.551,287 19.833,288 18.133,289 13.815,290 22.79,291 17.852,292 17.852,293 17.852,294 17.852,295 17.852,296 13.938,297 25.729,298 6.621,299 18.228,300 4.674,301 2.883,302 1.985,303 1.186,304 0.742,305 0.677,306 4.22,312 1,313 1055,314 2.828,318 497.281,322 148.794,325 2.203,326 12.646,329 0.75,330 0.83,331 0.83,332 0.7,333 0.5,334 0.83,335 1,336 0.78,337 66,338 472,339 4.633,340 3.218,341 6.803,342 4.18,343 3.196,344 4.579,345 0.916,346 11.235,347 3.145,348 4.023,349 3.018,350 6.071,351 3.691,352 2.727,353 3.604,354 0.4,355 8.719,356 2.635,357 3.941,358 2.695,359 5.616,360 3.621,361 2.64,362 3.457,363 0.172,364 7.788,365 2.59,366 3.609,367 2.561,368 5.332,369 3.469,370 2.471,371 2.926,373 6.95,374 2.466,375 3.506,376 2.269,377 5.202,378 3.088,379 2.128,380 2.65,382 6.119,383 2.038,384 3.277,385 2.15,386 4.953,387 3.009,388 2.049,389 2.633,391 5.86,392 1.957,393 3.176,394 1.796,395 4.489,396 2.776,397 1.793,398 2.243,400 4.433,401 1.761,402 2.828,403 1.527,404 3.807,405 2.424,406 1.43,407 1.958,409 3.065,410 1.421,411 2.808,412 1.405,413 3.603,414 2.325,415 1.329,416 1.929,418 2.999,419 1.324,420 2.733,421 1.313,422 3.595,423 2.258,424 1.273,425 1.844,427 2.891,428 1.252,429 2.5,430 1.229,431 3.519,432 2.168,433 1.201,434 1.5,436 2.7,437 1.158,438 2.5,439 1.077,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.469,448 1,449 3.351,450 2,451 1,452 1.46,454 2.136,455 1,456 2.15,457 1,458 3.247,459 1.984,460 1,461 1.086,463 2.136,464 0.983,465 2,466 0.877,467 3.247,468 1.823,469 0.845,470 1,472 2.054,473 0.825,474 15.6,475 0.488,476 0.479,477 0.015,478 42.25,479 1.32,480 22.5,481 0.703,482 19.75,483 0.617,484 27.082,485 0.846,486 33,487 0.532,488 29.132,489 0.91,490 8.132,491 0.254,492 7.733,493 0.242,496 0.25,501 0.815,502 1.139,503 0.868,504 1.01,505 0.731,506 0.955,507 1.165,508 1.117,509 1.04,510 1.049,511 0.852,512 1.038,513 0.966,514 1.121,515 0.984,516 1.054,517 0.76,518 1.026,519 1.214,520 1.1,521 0.96,522 0.972,523 0.912,524 0.952,525 1.584,526 0.909,527 0.994,528 0.823,529 1.253,530 0.857,531 1.243,532 0.955,533 1.119,534 1.012,535 1.259,536 1.048,537 0.964,538 1.03,539 1.045,540 1.056,541 1.125,542 1.056,543 1.106,544 0.931,545 1.065,546 0.992,547 1.253,548 1.019,549 4,550 0.107,551 2.667,552 1.5,553 1.191,554 0.569,555 0.541,556 0.306,557 0.143,558 0.141,559 17432,560 35205,561 2.213,562 48.4,563 1,564 22,567 1,569 6,572 1.738,573 2.182,574 3.811,575 -0.465,582 79.348,583 1.28,584 3.072,585 3.969,586 4.769,587 5.212,588 5.277,589 3.265,590 4.414,591 4.97,592 3.998,593 1982.8,594 8.658,595 30630.6,600 369.16,601 0.811,602 4.975,603 0.111,604 0.004,605 0.056,606 0.031,607 0.027,608 0.013,609 0.014,610 0.009,611 0.005,612 0.005,613 0.276,614 0.33,615 0.75,617 172.1,618 0.177,619 -0.008,620 0.072,621 0.011,622 0.184,623 0.03,624 -0.026,625 -0.023,626 -0.074,627 -0.06,628 0.028,629 -0.068,630 0.069,631 -0.11,632 -0.003,633 -0.071,634 0.148,635 -0.047,636 0.005,637 -0.103,638 0.046,639 -0.017,640 0.153,641 0.011,642 -0.159,643 0.121,644 0.026,645 0.113,646 -0.042,647 0.089,648 -0.121,649 0.052,650 -0.128,651 -0.043,652 -0.198,653 -0.078,654 -0.05,655 -0.072,656 -0.062,657 -0.07,658 -0.144,659 -0.067,660 -0.048,661 0.042,662 -0.071,663 -0.021,664 -0.2,665 -0.043,666 0.776,667 1.573,668 0.875,669 39.141,670 0.982,671 1.119,672 5.384,673 28.987,674 0.676,675 3.611,676 3.892,677 4.174,678 4.443,679 4.7,680 4.7,681 4.852,682 4.956,683 5.037,684 5.075,685 8.44,686 0.628,687 422.62,688 3.611,689 5.13,690 5.974,691 6.834,692 7.694,693 8.563,694 9.43,695 10.304,696 11.176,697 12.053,698 6.5,701 1,703 1,708 2,714 2,715 14,716 2,720 4,722 23,734 1,741 62,743 23,744 3,745 36,747 66,748 28,749 20,750 4,751 14,756 5,757 6,767 2,768 1,770 3,772 20,773 8,774 1,793 30,794 4,795 1,796 4,802 4,808 0.8,821 1,829 5,833 1,855 1,859 4,868 32,876 7,877 1,880 1,881 1,901 14.667,902 10.85,903 7.111,904 3.975,907 3.788,908 1.467,909 1.017,910 6.529,911 11.904,912 3.882,913 4.449,914 5.048,915 5.651,916 6.241,917 6.458,918 6.914,919 7.314,920 7.682,921 7.836,922 0.9,923 49,924 11.837,926 4.974,927 0.026,929 7.385,931 23.623,933 19.906,936 1.885,937 60.333,941 341.362,942 165.296,943 54.461,948 165.296,949 341.362,950 54.461,952 16.026,953 132.667,954 51.337,955 17.398,956 2.328,957 341.362,959 341.362,960 219.757,964 270.735,965 70.627,968 21.907,969 146.512,970 51.337,972 341.362,973 54.461,974 165.296,977 341.362,978 32.628,979 135.792,980 18.011,981 33.326,982 341.362,983 54.461,984 165.296,986 0.565,987 0.331,988 0.188,989 0.107,990 23,991 8,992 0.106,993 7,994 1,995 1.071,996 4.592,997 286.751,998 0.071,999 28,1000 148,1005 20.816,1006 10.037,1007 5.067,1008 2.282,1009 54.461,1010 29.533,1011 9.129,1015 4.348,1017 18.011,1018 561.119,1019 47.5,1031 60.894,1032 69.391,1034 0.215,1035 0.516,1036 0.667,1037 0.801,1038 0.875,1039 0.886,1040 5.086,1041 1.43,1042 5.911,1043 4.433,1044 4.575,1045 5.136,1046 1.038,1047 6.676,1048 4.534,1049 6.249,1050 1.329,1051 7.427,1052 3.065,1053 3.892,1054 4.677,1055 0.325,1056 7.486,1057 3.821,1058 7.522,1059 1.273,1060 9.049,1061 2.999,1062 6.107,1063 7.303,1064 0.697,1065 10.622,1066 6.025,1067 8.834,1068 1.201,1069 10.74,1070 2.891,1071 6.33,1072 7.801,1073 0.393,1074 12.362,1075 6.222,1076 10.185,1077 1,1078 12.479,1079 2.7,1080 7.928,1081 9.819,1082 0.537,1083 14.995,1084 7.809,1085 11.567,1086 1,1087 14.252,1088 2.275,1089 8.603,1090 10.818,1091 0.384,1092 17.121,1093 8.464,1094 12.973,1095 1,1096 16.049,1097 2.136,1098 9.927,1099 12.555,1100 0.438,1101 19.599,1102 9.776,1103 3.196,1104 0.845,1105 17.867,1106 2.136,1107 10.836,1108 13.817,1109 0.351,1110 21.889,1111 10.667,1112 2.727,1113 11.235,1114 19.7,1115 2.054,1116 12.042,1117 15.427,1118 0.366,1119 24.32,1120 11.86,1121 2.64,1122 8.719,1123 21.545,1124 4.579,1125 13.07,1126 16.822,1127 0.312,1128 26.68,1129 12.871,1130 2.471,1131 7.788,1132 23.402,1133 3.604,1134 14.231,1135 18.376,1136 0.309,1137 29.099,1138 14.018,1139 2.128,1140 6.95,1141 25.266,1142 3.457,1143 15.319,1144 19.836,1145 0.273,1146 31.49,1147 15.09,1148 2.049,1149 6.119,1150 27.139,1151 2.926,1152 16.465,1153 21.368,1154 0.262,1155 33.906,1156 16.222,1157 1.793,1158 5.86,1159 29.017,1160 2.65,1161 17.583,1162 22.859,1163 0.236,1164 36.311,1165 17.326,1166 15908,1167 22770,1168 25.424,1169 41.921,1170 53.014,1171 52.936,1172 53.221,1173 52.781,1174 52.759,1175 69.407,1176 2.978,1177 144.184,1178 51.688,1179 5.633,1180 5.218,1181 6.605,1182 5.223,1183 5.196,1184 7.579,1185 1.605,1186 18.642,1187 5.145,1189 1.473,1190 1.47,1191 1.478,1192 1.466,1193 1.466,1194 1.928,1195 0.083,1196 4.005,1197 1.436,1198 4.104,1199 4.135,1200 4.07,1201 4.035,1202 5.09,1203 4.039,1204 3.952,1205 3.999,1206 3.865,1207 3.868,1208 4.756,1209 3.862,1210 3.838,1211 3.878,1212 3.762,1213 3.777,1214 4.71,1215 3.77,1216 3.818,1217 3.857,1218 3.707,1219 3.722,1220 4.54,1221 3.711,1222 3.513,1223 3.593,1224 3.391,1225 3.315,1226 4.335,1227 3.322,1228 3.333,1229 3.402,1230 3.237,1231 3.167,1232 4.137,1233 3.175,1234 3.172,1235 3.245,1236 3.051,1237 3.027,1238 3.841,1239 3.024,1240 3.111,1241 3.206,1242 2.875,1243 2.941,1244 3.712,1245 2.91,1246 0.129,1247 0.089,1248 0.189,1249 0.116,1250 0.089,1251 4.633,1252 0.127,1253 3.218,1254 0.025,1255 6.803,1256 0.312,1257 4.18,1258 0.087,1259 3.196,1260 4.579,1261 0.916,1262 11.235,1263 3.145,1264 2.057,1265 2.035,1266 2.129,1267 2.145,1268 1.481,1269 2.139,1270 1.933,1271 1.896,1272 2.096,1273 2.064,1274 1.258,1275 2.079,1276 1.849,1277 1.816,1278 2.013,1279 1.954,1280 1.162,1281 1.976,1282 1.83,1283 1.784,1284 1.968,1285 1.92,1286 1.039,1287 1.938,1288 1.482,1289 1.404,1290 1.734,1291 1.711,1292 0.987,1293 1.724,1294 1.286,1295 1.228,1296 1.513,1297 1.495,1298 0.825,1299 1.489,1300 1.164,1301 1.1,1302 1.474,1303 1.376,1304 0.684,1305 1.429,1306 1.153,1307 1.064,1308 1.393,1309 1.366,1310 0.469,1311 1.385,1312 4.29,1314 5.58,1316 7.081,1318 8.677,1320 10.323,1328 8.105,1329 3.577,1332 0.775,1333 2.584,1340 38.934,1341 79.348,1342 190.441,1343 246.083,1344 295.65,1345 323.16,1346 327.16,1347 40.553,1348 8.116,1349 41.05,1350 41.05,1351 30,1352 12.592,1353 4.585,1354 3.644,1355 46.105,1356 164,1357 164,1358 0.134,1359 237.365,1360 402.52,1361 570.93,1362 44966,1364 21.589,1365 0.675,1366 0.577,1367 21.589,1368 18.452,1369 15.865,1370 0.441,1371 0.324,1372 11.596,1373 15.566,1374 11.346,1375 9.419,1376 15.865,1377 11.676,1378 13.569,1379 0.283,1380 0.182,1381 13.569,1382 8.729,1383 11.701,1384 0.183,1385 0.102,1386 11.701,1387 6.536,1388 9.965,1389 0.119,1390 0.056,1391 9.965,1392 4.713,1393 8.479,1394 0.078,1395 0.032,1396 8.479,1397 3.465,1398 0.219,1399 97.167,1400 0.198,1401 30.701,1402 0.346,1403 168,1404 363.268,1405 175.299,1406 368.862,1407 525.66,1408 350,1409 196,1410 402.265,1411 204.77,1412 414.008,1413 602.64,1414 392,1415 6.357}
{0 CHEMBL92142,1 1.197,2 11.76,3 4.782,4 22.868,5 104.457,6 6.481,7 0.607,8 3.994,9 4.125,10 3.466,11 3.612,12 4.922,13 3.545,14 4.566,15 4.757,16 3.775,17 4.024,18 5.393,19 3.923,20 4.881,21 5.127,22 3.796,23 4.185,24 5.6,25 4.032,26 4.954,27 5.236,28 3.636,29 4.136,30 5.603,31 3.943,32 4.889,33 5.186,34 3.55,35 4.042,36 5.526,37 3.848,38 4.764,39 5.044,40 3.473,41 3.968,42 5.428,43 3.782,44 4.701,45 4.978,46 3.399,47 3.915,48 5.362,49 3.721,50 4.614,51 4.898,52 3.242,53 3.791,54 5.258,55 3.582,56 0.055,57 0.693,58 11.771,59 5.067,60 8.672,61 7.204,62 0.133,63 1.202,64 21.401,65 8.538,66 14.991,67 12.37,68 0.173,69 1.566,70 29.535,71 12.019,72 20.194,73 17.413,74 0.185,75 1.63,76 31.926,77 12.971,78 21.988,79 18.856,80 0.182,81 1.514,82 30.022,83 12.036,84 21.63,85 17.561,86 0.162,87 1.352,88 26.404,89 10.648,90 19.207,91 15.488,92 0.159,93 1.259,94 24.661,95 10.389,96 18.024,97 14.937,98 0.109,99 1.134,100 22.51,101 9.629,102 15.818,103 13.856,105 37,106 0.201,107 0.495,108 0.687,109 0.794,110 0.833,111 0.839,112 3.266,113 1.015,114 -5.3,115 -5.18,116 -4.85,121 45.1,123 4,124 1,127 3,144 10,145 3,147 1,148 1,176 17,180 6,187 19,192 6,200 13,206 6,214 9,219 5,227 13,239 15,243 1,244 1,251 14,256 2,264 7,269 4,277 4,281 894,282 17.568,283 17.568,284 17.568,285 17.568,286 17.568,287 15.53,288 13.865,289 10.754,290 17.738,291 13.881,292 13.881,293 13.881,294 13.881,295 13.881,296 10.967,297 14.699,298 5.159,299 14.151,300 4.476,301 2.718,302 1.575,303 0.934,304 0.706,305 0.667,306 3.975,311 1,312 1,313 654,314 2.449,318 300.274,322 114.67,325 1.968,326 7.64,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 51,338 294,339 4.493,340 3.11,341 6.506,342 4.022,343 3.032,344 4.43,345 0.916,346 10.196,347 3.001,348 3.941,349 3.016,350 5.617,351 3.688,352 2.724,353 3.457,354 0.172,355 7.789,356 2.633,357 3.625,358 2.566,359 5.35,360 3.472,361 2.474,362 2.915,364 6.98,365 2.47,366 3.488,367 2.321,368 5.181,369 3.121,370 2.152,371 2.624,373 6.225,374 2.084,375 3.157,376 2.134,377 4.947,378 2.971,379 2.007,380 2.427,382 5.824,383 1.925,384 3.118,385 1.618,386 4.166,387 2.604,388 1.618,389 2.231,391 3.801,392 1.595,393 2.823,394 1.518,395 3.605,396 2.417,397 1.422,398 1.927,400 3.045,401 1.414,402 2.769,403 1.287,404 3.59,405 2.257,406 1.276,407 1.898,409 2.852,410 1.25,411 2.5,412 1.111,413 3.414,414 2.02,415 1.035,416 1.5,418 2.366,419 1.018,420 2.399,421 1.077,422 3.411,423 2,424 1,425 1.363,427 2.275,428 1,429 2,430 1,431 3.247,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.799,439 0.626,440 3.107,441 1.589,442 0.602,443 0.706,445 1.409,446 0.594,447 1.267,448 0.299,449 2.789,450 1.071,451 0.097,452 0.109,454 0.243,455 0.095,456 1.012,457 -0.147,458 2.411,459 0.667,460 -0.313,461 -0.384,463 -0.775,464 -0.307,465 0.882,466 -0.524,467 2.226,468 0.383,469 -0.605,470 -0.733,472 -1.367,473 -0.596,474 12.3,475 0.492,476 0.376,477 0.015,478 31.25,479 1.25,480 16,481 0.64,482 15.25,483 0.61,484 21.039,485 0.842,486 26.1,487 0.512,488 18.595,489 0.744,490 5.831,491 0.233,492 6.552,493 0.262,496 0.236,501 0.898,502 1.214,503 0.919,504 1.055,505 0.765,506 1,507 1.488,508 1.111,509 1.095,510 1.04,511 0.945,512 1.045,513 1.178,514 1.075,515 1.074,516 1.058,517 0.897,518 1.06,519 1.036,520 1.048,521 1.033,522 1.039,523 0.875,524 1.036,525 1.068,526 0.921,527 0.941,528 0.912,529 0.983,530 0.918,531 1.191,532 0.948,533 1.046,534 0.979,535 1.247,536 1,537 0.799,538 0.949,539 1.033,540 1.032,541 1.102,542 1.043,543 0.619,544 1.103,545 1.005,546 1.11,547 0.915,548 1.084,549 3.5,550 0.066,551 2,552 0.875,553 0.929,554 0.34,555 0.302,556 0.21,557 0.106,558 0.098,559 8670,560 16608,561 2.204,562 51,563 3,564 16,566 1,568 2,569 4,572 1.672,573 2.174,574 3.504,575 -0.909,582 61.04,583 1.197,584 2.954,585 4.097,586 4.739,587 4.967,588 5.006,589 2.904,590 4.054,591 4.617,592 3.688,593 1106.28,594 7.941,595 14072.2,597 1,600 289.294,601 0.795,602 4.619,603 0.125,604 0.005,605 0.054,606 0.024,607 0.032,608 0.013,609 0.012,610 0.009,611 0.006,612 0.007,613 0.286,614 0.5,615 1,617 123.391,618 0.109,619 -0.098,620 0.074,621 -0.009,622 0.186,623 0.023,624 -0.146,625 -0.015,626 -0.09,627 -0.047,629 -0.062,630 -0.086,631 -0.062,632 -0.087,633 -0.076,634 0.012,635 -0.08,636 -0.028,637 -0.082,638 -0.053,639 -0.07,640 0.017,641 -0.064,642 -0.012,643 0.038,644 0.042,645 0.049,646 -0.03,647 0.049,648 -0.119,649 0.031,650 -0.062,651 -0.012,652 -0.217,653 -0.03,654 0.06,655 0.008,656 -0.061,657 -0.049,658 -0.142,659 -0.06,660 0.075,661 -0.176,662 -0.043,663 -0.121,664 -0.083,665 -0.094,666 0.493,667 1.652,668 0.88,669 23.75,670 0.977,671 1.117,672 4.067,673 16.541,674 0.67,675 3.367,676 3.638,677 3.892,678 4.127,679 4.357,680 4.277,681 4.382,682 4.489,683 4.575,684 4.564,685 6.961,686 0.615,687 330.51,688 3.367,689 4.875,690 5.707,691 6.555,692 7.399,693 8.252,694 9.1,695 9.955,696 10.806,697 11.661,698 3.9,701 1,708 1,714 2,715 11,716 1,720 2,722 17,741 51,743 17,744 2,745 28,747 54,748 23,749 15,750 3,751 9,756 4,757 5,767 2,768 1,770 4,772 15,773 8,774 1,793 26,794 2,796 2,802 2,808 0.75,822 1,829 4,833 1,855 1,859 3,868 25,876 7,880 1,881 1,901 11.5,902 8.9,903 5.556,904 3.347,907 3.154,908 1.426,909 1.006,910 5.084,911 10.553,912 3.624,913 4.174,914 4.738,915 5.295,916 5.83,917 5.9,918 6.224,919 6.53,920 6.824,921 6.489,922 0.875,923 36,924 9.273,926 3.873,927 0.026,929 7.32,931 18.743,933 15.912,936 1.82,937 45.5,938 0.001,939 1,940 1,941 306.049,942 131.353,943 19.91,948 131.353,949 306.049,950 19.91,952 16.455,953 94.762,954 28.557,955 23.26,957 294.278,959 306.049,960 151.263,964 258.964,965 47.084,968 31.384,969 103.094,970 16.786,972 306.049,973 19.91,974 131.353,977 306.049,978 27.543,979 106.934,981 16.786,982 306.049,983 19.91,984 131.353,986 0.565,987 0.327,988 0.181,989 0.1,990 18,991 6,992 0.093,993 5,994 1,995 1.091,996 3.971,997 199.656,998 0.091,999 22,1000 108.096,1005 16.295,1006 7.8,1007 4.082,1008 2.636,1009 19.91,1010 23.528,1011 4.652,1015 2.7,1018 457.312,1019 36.5,1031 49.807,1032 56.979,1034 0.211,1035 0.521,1036 0.722,1037 0.835,1038 0.876,1039 0.882,1040 4.822,1041 1.276,1042 5.638,1043 3.045,1044 4.317,1045 4.86,1046 0.918,1047 6.372,1048 4.281,1049 5.975,1050 1.035,1051 7.136,1052 2.852,1053 3.611,1054 4.388,1055 0.325,1056 7.096,1057 3.549,1058 7.239,1059 1,1060 8.735,1061 2.366,1062 5.826,1063 7.005,1064 0.671,1065 10.19,1066 5.754,1067 8.538,1068 1,1069 10.397,1070 2.275,1071 5.994,1072 7.478,1073 0.393,1074 11.819,1075 5.902,1076 9.876,1077 0.602,1078 12.103,1079 2.136,1080 7.601,1081 9.5,1082 0.533,1083 14.391,1084 7.499,1085 11.241,1086 0.097,1087 13.84,1088 1.409,1089 8.211,1090 10.471,1091 0.384,1092 16.407,1093 8.095,1094 12.629,1095 -0.313,1096 15.601,1097 0.243,1098 9.536,1099 12.209,1100 0.438,1101 18.808,1102 9.407,1103 3.032,1104 -0.605,1105 17.379,1106 -0.775,1107 10.379,1108 13.442,1109 0.351,1110 20.994,1111 10.239,1112 2.724,1113 10.196,1114 19.172,1115 -1.367,1116 11.569,1117 15.044,1118 0.366,1119 23.338,1120 11.418,1121 2.474,1122 7.789,1123 20.977,1124 4.43,1125 12.534,1126 16.408,1127 0.312,1128 25.599,1129 12.373,1130 2.152,1131 6.98,1132 22.793,1133 3.457,1134 13.665,1135 17.946,1136 0.309,1137 27.926,1138 13.493,1139 2.007,1140 6.225,1141 24.616,1142 2.915,1143 14.693,1144 19.374,1145 0.273,1146 30.22,1147 14.512,1148 1.618,1149 5.824,1150 26.448,1151 2.624,1152 15.799,1153 20.884,1154 0.262,1155 32.541,1156 15.608,1157 1.422,1158 3.801,1159 28.285,1160 2.427,1161 16.859,1162 22.343,1163 0.236,1164 34.85,1165 16.66,1166 7992,1167 11141,1168 19.761,1169 34.148,1170 40.939,1171 40.988,1172 41.145,1173 40.897,1174 40.878,1175 53.174,1176 2.178,1177 110.282,1178 40.12,1179 5.493,1180 5.11,1181 6.308,1182 5.061,1183 5.032,1184 7.43,1185 1.605,1186 16.977,1187 5.001,1189 1.462,1190 1.464,1191 1.469,1192 1.461,1193 1.46,1194 1.899,1195 0.078,1196 3.939,1197 1.433,1198 4.087,1199 4.116,1200 4.038,1201 4.028,1202 4.969,1203 4.027,1204 3.947,1205 3.991,1206 3.862,1207 3.866,1208 4.755,1209 3.859,1210 3.817,1211 3.864,1212 3.7,1213 3.716,1214 4.459,1215 3.705,1216 3.496,1217 3.56,1218 3.383,1219 3.359,1220 4.315,1221 3.357,1222 3.349,1223 3.415,1224 3.22,1225 3.212,1226 3.962,1227 3.205,1228 3.149,1229 3.218,1230 3.004,1231 3.025,1232 3.8,1233 3.013,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.674,1239 2.91,1240 2.932,1241 2.999,1242 2.776,1243 2.81,1244 3.602,1245 2.794,1246 0.16,1247 0.111,1248 0.232,1249 0.144,1250 0.108,1251 4.493,1252 0.158,1253 3.11,1254 0.033,1255 6.506,1256 0.364,1257 4.022,1258 0.107,1259 3.032,1260 4.43,1261 0.916,1262 10.196,1263 3.001,1264 2.059,1265 2.036,1266 2.151,1267 2.136,1268 1.49,1269 2.143,1270 1.931,1271 1.895,1272 2.085,1273 2.056,1274 1.275,1275 2.069,1276 1.83,1277 1.781,1278 2.007,1279 1.945,1280 1.152,1281 1.968,1282 1.49,1283 1.43,1284 1.722,1285 1.666,1286 0.978,1287 1.689,1288 1.345,1289 1.286,1290 1.554,1291 1.518,1292 0.825,1293 1.535,1294 1.167,1295 1.103,1296 1.513,1297 1.376,1298 0.69,1299 1.429,1300 1.153,1301 1.064,1302 1.443,1303 1.348,1304 0.56,1305 1.386,1306 0.953,1307 0.891,1308 1.22,1309 1.123,1310 0.426,1311 1.16,1312 4.043,1314 5.323,1316 6.812,1318 8.392,1320 10.016,1328 8.545,1332 0.841,1333 2.599,1340 31.364,1341 61.04,1342 150.662,1343 208.955,1344 241.684,1345 253.294,1346 255.294,1347 29.156,1348 7.399,1349 16.13,1350 16.13,1351 24,1352 12.216,1353 4.17,1354 3.248,1355 36.254,1356 106,1357 96,1358 0.165,1359 191.99,1360 325.2,1361 460.216,1362 18358,1364 16.899,1365 0.676,1366 0.591,1367 16.899,1368 14.772,1369 12.382,1370 0.442,1371 0.338,1372 9.425,1373 12.209,1374 9.201,1375 7.627,1376 12.382,1377 9.472,1378 10.603,1379 0.287,1380 0.195,1381 10.603,1382 7.223,1383 9.027,1384 0.188,1385 0.115,1386 9.027,1387 5.502,1388 7.53,1389 0.123,1390 0.066,1391 7.53,1392 3.997,1393 6.338,1394 0.082,1395 0.039,1396 6.338,1397 3.001,1398 0.268,1399 75.359,1400 0.225,1401 24.89,1402 0.43,1403 130,1404 257.29,1405 133.802,1406 262.536,1407 373.06,1408 250,1409 150,1410 279.577,1411 154.496,1412 290.247,1413 420.51,1414 275,1415 6.658}
{0 CHEMBL92460,1 1.329,2 11.667,3 4.678,4 21.886,5 97.933,6 6.676,7 0.593,8 3.953,9 4.076,10 3.452,11 3.537,12 4.915,13 3.485,14 4.524,15 4.708,16 3.767,17 3.95,18 5.37,19 3.865,20 4.823,21 5.066,22 3.74,23 4.077,24 5.559,25 3.935,26 4.899,27 5.181,28 3.561,29 4.008,30 5.563,31 3.828,32 4.771,33 5.064,34 3.442,35 3.891,36 5.406,37 3.712,38 4.647,39 4.911,40 3.443,41 3.851,42 5.348,43 3.689,44 4.631,45 4.898,46 3.344,47 3.787,48 5.334,49 3.613,50 4.483,51 4.756,52 3.152,53 3.621,54 5.171,55 3.433,56 0.098,57 0.664,58 11.074,59 4.794,60 9.698,61 6.622,62 0.125,63 1.14,64 20.282,65 8.064,66 13.862,67 11.422,68 0.184,69 1.441,70 28.045,71 11.029,72 20.954,73 15.82,74 0.255,75 1.486,76 31.033,77 11.57,78 24.45,79 16.776,80 0.223,81 1.301,82 27.266,83 10.276,84 20.603,85 14.97,86 0.17,87 1.183,88 23.687,89 9.207,90 17.679,91 13.293,92 0.218,93 1.128,94 23.581,95 9.181,96 20.317,97 12.987,98 0.206,99 0.956,100 20.323,101 8.02,102 17.639,103 11.422,105 36,106 0.226,107 0.516,108 0.689,109 0.795,110 0.829,111 0.829,112 3.227,113 0.998,114 -4.92,115 -4.82,116 -4.52,121 43.8,123 4,124 1,127 3,144 9,145 2,148 1,154 1,168 1,176 14,180 7,187 15,192 9,200 9,206 8,214 6,219 5,227 11,232 2,239 12,243 1,244 1,251 12,255 1,256 1,264 7,269 3,277 4,281 806,282 16.861,283 16.861,284 16.861,285 16.861,286 16.861,287 14.953,288 13.865,289 10.268,290 17.003,291 13.381,292 13.381,293 13.381,294 13.381,295 13.381,296 10.634,297 14.699,298 4.933,299 13.606,300 4.256,301 2.55,302 1.534,303 0.909,304 0.708,305 0.708,306 3.935,311 1,312 1,313 626,314 2.449,317 55.262,318 229.149,321 103.405,325 1.972,326 9.457,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 50,338 280,339 4.524,340 3.139,341 6.526,342 4.054,343 3.063,344 4.473,345 0.916,346 10.265,347 3.034,348 3.941,349 3.016,350 5.617,351 3.688,352 2.724,353 3.457,354 0.172,355 7.789,356 2.632,357 3.615,358 2.565,359 5.344,360 3.471,361 2.472,362 2.785,364 6.973,365 2.468,366 3.407,367 2.292,368 5.116,369 3.082,370 2.118,371 2.615,373 6.035,374 2.038,375 3.152,376 2.089,377 4.944,378 2.928,379 1.953,380 2.318,382 5.771,383 1.895,384 3.046,385 1.546,386 4.185,387 2.544,388 1.546,389 2.229,391 3.763,392 1.543,393 2.823,394 1.517,395 3.602,396 2.417,397 1.422,398 1.925,400 3.044,401 1.414,402 2.648,403 1.252,404 3.586,405 2.197,406 1.204,407 1.713,409 2.814,410 1.195,411 2.5,412 1.077,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.155,421 1,422 3.286,423 1.984,424 1,425 1.042,427 2.136,428 0.983,429 2,430 0.856,431 3.247,432 1.807,433 0.819,434 1,436 1.896,437 0.808,438 1.702,439 0.51,440 3.018,441 1.455,442 0.462,443 0.568,445 1.09,446 0.458,447 1.219,448 0.243,449 2.77,450 1.032,451 0.057,452 0.064,454 0.143,455 0.056,456 0.779,457 -0.289,458 2.243,459 0.528,460 -0.464,461 -0.532,463 -1.099,464 -0.46,465 0.66,466 -0.657,467 2,468 0.222,469 -0.774,470 -0.965,472 -1.812,473 -0.77,474 11.633,475 0.485,476 0.376,477 0.016,478 29,479 1.208,480 14,481 0.583,482 15,483 0.625,484 20.242,485 0.843,486 25.567,487 0.533,488 16.896,489 0.704,490 5.456,491 0.227,492 6.426,493 0.268,496 0.249,501 0.645,502 1.186,503 0.867,504 1.071,505 0.606,506 1.003,507 1.016,508 1.17,509 1.028,510 1.093,511 0.778,512 1.058,513 0.909,514 1.122,515 1.044,516 1.102,517 0.778,518 1.084,519 1.122,520 1.008,521 1.037,522 0.991,523 0.98,524 1.004,525 0.97,526 0.856,527 0.934,528 0.857,529 0.963,530 0.884,531 0.905,532 0.994,533 1.037,534 1.023,535 1.096,536 1.033,537 1.169,538 0.936,539 1.08,540 1.02,541 1.282,542 1.044,543 0.961,544 1.007,545 1.031,546 1.031,547 1.089,548 1.047,549 3.5,550 0.062,551 2,552 0.979,553 0.716,554 0.306,555 0.331,556 0.205,557 0.083,558 0.093,559 7924,560 16339,561 2.213,562 50,563 3,564 15,568 2,569 4,572 1.66,573 2.182,574 3.5,575 -0.864,582 63.8,583 1.329,584 3.035,585 4.051,586 4.676,587 4.877,588 4.877,589 2.924,590 4.168,591 4.558,592 3.673,593 1013.63,594 7.817,595 12529.9,597 1,600 268.078,601 0.811,602 4.56,603 0.13,604 0.005,605 0.056,606 0.03,607 0.028,608 0.013,609 0.014,610 0.01,611 0.005,612 0.007,613 0.295,614 0.5,615 1,617 117.023,618 0.271,619 -0.044,620 0.088,621 -0.004,622 0.286,623 0.019,624 -0.05,625 -0.069,626 -0.058,627 -0.084,628 0.055,629 -0.07,630 -0.028,631 -0.117,632 -0.074,633 -0.117,634 0.067,635 -0.101,636 -0.072,637 -0.053,638 -0.048,639 -0.038,640 -0.017,641 -0.041,642 -0.055,643 0.092,644 0.049,645 0.099,646 -0.073,647 0.086,648 -0.057,649 -0.01,650 -0.067,651 -0.049,652 -0.174,653 -0.055,654 -0.047,655 0.012,656 -0.092,657 -0.047,658 -0.195,659 -0.072,660 0.072,661 -0.087,662 -0.051,663 -0.052,664 -0.114,665 -0.066,666 0.759,667 1.914,668 0.875,669 22.75,670 0.984,671 1.12,672 3.687,673 13.595,674 0.663,675 3.332,676 3.611,677 3.871,678 4.111,679 4.29,680 4.234,681 4.344,682 4.466,683 4.443,684 4.533,685 6.862,686 0.616,687 320.47,688 3.332,689 4.844,690 5.68,691 6.532,692 7.381,693 8.238,694 9.091,695 9.951,696 10.807,697 11.668,698 4.2,701 1,708 1,714 2,715 9,716 1,718 1,720 2,722 16,741 48,743 16,744 2,745 27,747 51,748 21,749 13,750 3,751 9,756 4,757 5,767 2,768 1,770 4,772 13,773 8,774 1,790 1,793 24,794 3,796 3,801 1,802 2,808 0.75,809 1,828 1,829 3,832 1,855 1,859 3,868 24,876 7,880 1,881 1,893 2.1,898 1,901 11,902 8.4,903 5.306,904 3.161,907 2.869,908 1.393,909 1.001,910 4.727,911 10.176,912 3.584,913 4.139,914 4.708,915 5.269,916 5.703,917 5.794,918 6.111,919 6.416,920 6.117,921 6.287,922 0.875,923 33,924 8.893,926 3.739,927 0.026,929 7.375,931 17.863,933 15.179,936 1.875,937 45,938 0.001,940 1,941 282.506,942 115.093,943 22.721,945 9.734,948 115.093,949 292.241,950 22.721,952 16.455,953 85.286,954 19.597,955 21.374,956 4.836,957 282.506,959 282.506,960 137.814,961 9.734,964 235.422,965 56.819,968 22.336,969 95.881,970 19.597,972 282.506,973 32.455,974 115.093,977 282.506,978 29.807,979 88.411,981 29.331,982 282.506,983 32.455,984 115.093,986 0.568,987 0.328,988 0.18,989 0.096,990 18,991 6,992 0.098,993 5,994 1,995 1.095,996 3.909,997 188.507,998 0.095,999 21,1000 102.039,1005 15.56,1006 7.292,1007 3.769,1008 2.087,1009 32.455,1010 18.962,1011 4.265,1013 5.414,1015 2.544,1018 430.054,1019 35,1031 47.251,1032 53.773,1034 0.238,1035 0.543,1036 0.725,1037 0.837,1038 0.873,1039 0.873,1040 4.787,1041 1.204,1042 5.617,1043 3.044,1044 4.29,1045 4.824,1046 0.918,1047 6.358,1048 4.258,1049 5.943,1050 1,1051 7.12,1052 2.814,1053 3.611,1054 4.388,1055 0.325,1056 7.096,1057 3.549,1058 7.211,1059 1,1060 8.724,1061 2.275,1062 5.808,1063 6.977,1064 0.671,1065 10.187,1066 5.742,1067 8.516,1068 0.819,1069 10.39,1070 2.136,1071 6.019,1072 7.52,1073 0.393,1074 11.84,1075 5.929,1076 9.862,1077 0.462,1078 12.099,1079 1.896,1080 7.603,1081 9.5,1082 0.533,1083 14.406,1084 7.508,1085 11.236,1086 0.057,1087 13.84,1088 1.09,1089 8.252,1090 10.537,1091 0.384,1092 16.446,1093 8.14,1094 12.634,1095 -0.464,1096 15.604,1097 0.143,1098 9.563,1099 12.245,1100 0.438,1101 18.843,1102 9.443,1103 3.063,1104 -0.774,1105 17.386,1106 -1.099,1107 10.437,1108 13.528,1109 0.351,1110 21.049,1111 10.305,1112 2.724,1113 10.265,1114 19.183,1115 -1.812,1116 11.624,1117 15.115,1118 0.366,1119 23.394,1120 11.483,1121 2.472,1122 7.789,1123 20.993,1124 4.473,1125 12.613,1126 16.513,1127 0.312,1128 25.67,1129 12.462,1130 2.118,1131 6.973,1132 22.812,1133 3.457,1134 13.746,1135 18.047,1136 0.309,1137 28,1138 13.587,1139 1.953,1140 6.035,1141 24.641,1142 2.785,1143 14.793,1144 19.499,1145 0.273,1146 30.305,1147 14.625,1148 1.546,1149 5.771,1150 26.476,1151 2.615,1152 15.905,1153 21.011,1154 0.262,1155 32.632,1156 15.73,1157 1.422,1158 3.763,1159 28.318,1160 2.318,1161 16.981,1162 22.487,1163 0.236,1164 34.949,1165 16.798,1166 7277,1167 10572,1168 19.068,1169 31.841,1170 39.913,1171 39.741,1172 39.975,1173 39.702,1174 39.682,1175 51.379,1176 2.178,1177 107.99,1178 39.049,1179 5.524,1180 5.139,1181 6.328,1182 5.089,1183 5.063,1184 7.473,1185 1.605,1186 16.922,1187 5.034,1189 1.478,1190 1.472,1191 1.481,1192 1.47,1193 1.47,1194 1.903,1195 0.081,1196 4,1197 1.446,1198 4.093,1199 4.112,1200 4.056,1201 3.985,1202 5.261,1203 3.996,1204 3.947,1205 3.991,1206 3.863,1207 3.864,1208 4.756,1209 3.858,1210 3.816,1211 3.863,1212 3.699,1213 3.713,1214 4.466,1215 3.702,1216 3.474,1217 3.54,1218 3.349,1219 3.331,1220 4.32,1221 3.326,1222 3.262,1223 3.32,1224 3.15,1225 3.083,1226 3.963,1227 3.087,1228 3.111,1229 3.206,1230 2.916,1231 2.941,1232 3.771,1233 2.91,1234 3.069,1235 3.13,1236 2.866,1237 2.883,1238 3.674,1239 2.883,1240 2.89,1241 2.949,1242 2.747,1243 2.764,1244 3.581,1245 2.755,1246 0.168,1247 0.116,1248 0.242,1249 0.15,1250 0.113,1251 4.524,1252 0.166,1253 3.139,1254 0.034,1255 6.526,1256 0.38,1257 4.054,1258 0.112,1259 3.063,1260 4.473,1261 0.916,1262 10.265,1263 3.034,1264 1.947,1265 1.919,1266 2.106,1267 2.07,1268 1.487,1269 2.086,1270 1.92,1271 1.891,1272 2.033,1273 2.001,1274 1.199,1275 2.011,1276 1.828,1277 1.781,1278 1.994,1279 1.945,1280 1.131,1281 1.964,1282 1.5,1283 1.441,1284 1.731,1285 1.713,1286 0.968,1287 1.715,1288 1.216,1289 1.153,1290 1.513,1291 1.45,1292 0.825,1293 1.443,1294 1.153,1295 1.064,1296 1.464,1297 1.376,1298 0.69,1299 1.429,1300 1.004,1301 0.955,1302 1.251,1303 1.278,1304 0.447,1305 1.264,1306 0.914,1307 0.875,1308 1.181,1309 1.095,1310 0.246,1311 1.116,1312 4.007,1314 5.293,1315 2.398,1316 6.777,1317 4.727,1318 8.343,1319 6.823,1320 9.949,1328 8.334,1332 0.812,1333 2.581,1340 29.552,1341 63.8,1342 145.661,1343 194.429,1344 224.469,1345 234.078,1346 234.078,1347 28.373,1348 7.308,1349 29.27,1350 29.27,1351 23,1352 12.219,1353 4.087,1354 3.17,1355 34.226,1356 100,1357 88,1358 0.165,1359 179.729,1360 302.03,1361 430.299,1362 16163,1364 16.192,1365 0.675,1366 0.584,1367 16.192,1368 14.026,1369 11.882,1370 0.44,1371 0.333,1372 8.908,1373 11.59,1374 8.72,1375 7.217,1376 11.882,1377 8.979,1378 10.25,1379 0.285,1380 0.191,1381 10.25,1382 6.869,1383 8.785,1384 0.187,1385 0.111,1386 8.785,1387 5.198,1388 7.316,1389 0.122,1390 0.062,1391 7.316,1392 3.734,1393 5.915,1394 0.082,1395 0.038,1396 5.915,1397 2.758,1398 0.268,1399 73.268,1400 0.229,1401 24.101,1402 0.427,1403 126,1404 287.026,1405 133.345,1406 282.854,1407 399.14,1408 268,1409 146,1410 307.136,1411 154.815,1412 310.176,1413 448.43,1414 293,1415 7.26}
{0 CHEMBL92463,1 1.405,2 12.32,3 4.411,4 19.455,5 99.628,6 6.867,7 0.571,8 3.984,9 4.101,10 3.494,11 3.544,12 5.004,13 3.504,14 4.542,15 4.719,16 3.825,17 3.96,18 5.458,19 3.889,20 4.85,21 5.081,22 3.806,23 4.093,24 5.67,25 3.967,26 4.935,27 5.211,28 3.648,29 4.029,30 5.689,31 3.861,32 4.803,33 5.09,34 3.531,35 3.908,36 5.528,37 3.744,38 4.67,39 4.931,40 3.487,41 3.866,42 5.399,43 3.711,44 4.651,45 4.907,46 3.397,47 3.799,48 5.417,49 3.639,50 4.526,51 4.791,52 3.217,53 3.642,54 5.273,55 3.467,56 0.096,57 0.679,58 11.148,59 4.873,60 10.304,61 6.521,62 0.111,63 1.155,64 20.284,65 8.142,66 15.535,67 11.319,68 0.208,69 1.459,70 28.828,71 11.102,72 27.433,73 15.702,74 0.384,75 1.509,76 32.596,77 11.769,78 37.562,79 17.103,80 0.31,81 1.316,82 28.634,83 10.402,84 31.718,85 15.153,86 0.183,87 1.201,88 24.333,89 9.251,90 20.083,91 13.382,92 0.256,93 1.131,94 24.266,95 9.165,96 26.538,97 12.85,98 0.248,99 0.975,100 21.523,101 8.155,102 24.798,103 11.542,104 2,105 38,106 0.238,107 0.559,108 0.735,109 0.824,110 0.833,111 0.833,112 3.266,113 0.976,114 -4.38,115 -4.31,116 -4.07,121 42.9,123 4,124 1,127 3,144 8,145 2,146 1,148 1,154 1,168 1,176 12,180 7,185 2,187 14,192 8,197 1,200 8,206 7,209 1,211 1,214 6,219 5,222 1,227 10,232 2,237 1,239 11,243 1,244 1,249 1,251 11,255 1,256 1,261 1,264 5,269 3,274 2,277 4,281 902,282 17.309,283 17.309,284 17.309,285 17.309,286 17.309,287 15.376,288 16.022,289 10.404,290 17.491,291 13.864,292 13.864,293 13.864,294 13.864,295 13.864,296 11.047,297 15.862,298 5.012,299 14.168,300 4.21,301 2.313,302 1.271,303 0.75,304 0.694,305 0.694,306 3.97,311 1,312 1,313 683,314 2.55,317 58.119,318 240.374,321 108.082,325 1.987,326 15.635,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 53,338 308,339 4.545,340 3.165,341 6.538,342 4.074,343 3.085,344 4.499,345 0.916,346 10.317,347 3.052,348 3.941,349 3.017,350 5.617,351 3.689,352 2.725,353 3.457,354 0.172,355 7.79,356 2.633,357 3.704,358 2.608,359 5.358,360 3.475,361 2.478,362 3.136,364 6.994,365 2.472,366 3.591,367 2.528,368 5.249,369 3.266,370 2.306,371 2.641,373 6.55,374 2.207,375 3.226,376 2.236,377 4.953,378 3.028,379 2.074,380 2.473,382 5.86,383 1.968,384 3.126,385 1.942,386 4.772,387 2.746,388 1.765,389 2.234,391 5.113,392 1.728,393 2.862,394 1.518,395 4.207,396 2.426,397 1.432,398 2.009,400 3.755,401 1.423,402 2.809,403 1.457,404 3.594,405 2.388,406 1.402,407 1.905,409 3.042,410 1.379,411 2.5,412 1.077,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.173,421 1,422 3.316,423 1.984,424 1,425 1.055,427 2.136,428 0.983,429 2,430 0.861,431 3.247,432 1.807,433 0.82,434 1,436 1.924,437 0.808,438 1.74,439 0.572,440 3.128,441 1.508,442 0.517,443 0.63,445 1.24,446 0.511,447 1.233,448 0.299,449 2.79,450 1.05,451 0.077,452 0.086,454 0.193,455 0.075,456 0.961,457 -0.016,458 2.378,459 0.625,460 -0.331,461 -0.395,463 -0.801,464 -0.31,465 0.763,466 -0.346,467 2.296,468 0.443,469 -0.526,470 -0.622,472 -1.242,473 -0.51,474 11.967,475 0.479,476 0.482,477 0.019,478 30.25,479 1.21,480 14.5,481 0.58,482 15.75,483 0.63,484 21.274,485 0.851,486 27.033,487 0.552,488 18.631,489 0.745,490 5.697,491 0.228,492 6.579,493 0.263,494 0.028,496 0.284,501 0.768,502 1.172,503 0.857,504 1.054,505 0.825,506 0.983,507 0.84,508 1.187,509 0.971,510 1.106,511 0.548,512 1.051,513 0.884,514 1.142,515 1.049,516 1.123,517 0.787,518 1.105,519 0.794,520 1.013,521 0.99,522 1,523 0.63,524 1.012,525 0.774,526 0.856,527 0.892,528 0.858,529 0.569,530 0.881,531 0.702,532 1.002,533 1.011,534 1.034,535 0.609,536 1.046,537 1.053,538 0.951,539 1.1,540 1.037,541 0.993,542 1.073,543 0.932,544 1.002,545 1.039,546 1.028,547 0.972,548 1.054,549 4.5,550 0.07,551 2.222,552 1.167,553 0.987,554 0.441,555 0.372,556 0.229,557 0.133,558 0.133,559 8751,560 19868,561 2.179,562 49,563 3,564 14,567 1,568 2,569 4,572 1.671,573 2.113,574 3.567,575 -0.396,577 1,582 68.843,583 1.405,584 3.301,585 4.344,586 4.865,587 4.921,588 4.921,589 3.083,590 4.244,591 4.616,592 3.737,593 1121.02,594 7.933,595 14288.2,597 1,599 1,600 275.121,601 1.078,602 4.606,603 0.161,604 0.005,605 0.058,606 0.033,607 0.035,608 0.017,609 0.015,610 0.01,611 0.007,612 0.008,613 0.35,614 0.33,615 1,616 0.372,617 123.775,618 0.119,619 -0.014,620 0.066,621 0.029,622 0.042,623 0.034,624 -0.039,625 -0.071,626 -0.034,627 -0.08,628 0.087,629 -0.056,630 -0.05,631 -0.128,632 -0.092,633 -0.13,634 0.008,635 -0.117,636 0.081,637 -0.059,638 -0.01,639 -0.044,640 0.093,641 -0.037,642 0.041,643 0.089,644 0.088,645 0.099,646 0.08,647 0.099,648 -0.034,649 -0.007,650 -0.06,651 -0.055,652 -0.066,653 -0.055,654 -0.071,655 0.002,656 -0.12,657 -0.061,658 -0.135,659 -0.093,660 0.015,661 -0.082,662 -0.06,663 -0.048,664 -0.11,665 -0.067,666 1.444,667 3.511,668 0.84,669 24.49,670 0.991,671 1.122,672 3.147,673 9.906,674 0.659,675 3.367,676 3.664,677 3.912,678 4.159,679 4.357,680 4.344,681 4.431,682 4.533,683 4.533,684 4.605,685 7.106,686 0.618,687 336.47,688 3.367,689 4.89,690 5.727,691 6.586,692 7.437,693 8.3,694 9.157,695 10.023,696 10.883,697 11.751,698 4.1,701 1,708 1,714 2,715 8,716 1,718 1,720 3,722 16,738 1,741 49,743 16,744 2,745 28,747 52,748 21,749 13,750 4,751 8,756 4,757 5,767 2,768 1,770 4,772 13,773 8,774 1,790 1,793 24,794 4,795 1,796 4,801 1,802 2,808 0.75,809 2,828 1,829 3,832 1,855 1,859 3,868 25,875 1,876 7,880 1,881 1,893 4.1,895 1,898 1,901 11.833,902 8.517,903 5.472,904 3.156,907 2.884,908 1.389,909 0.975,910 4.931,911 10.304,912 3.611,913 4.186,914 4.748,915 5.32,916 5.784,917 5.951,918 6.242,919 6.523,920 6.31,921 6.38,922 1,923 35,924 9.258,926 3.933,927 0.026,929 7.527,931 18.339,933 15.591,936 2.027,937 50.667,939 1,940 1,941 270.735,942 105.617,943 22.721,945 52.417,948 105.617,949 323.153,950 22.721,952 16.455,953 75.81,954 62.28,955 21.374,956 4.836,957 270.735,959 270.735,960 128.338,961 52.417,964 223.651,965 99.502,968 22.336,969 86.405,970 19.597,972 270.735,973 75.138,974 105.617,977 270.735,978 29.807,979 78.934,981 72.014,982 270.735,983 75.138,984 105.617,986 0.575,987 0.327,988 0.177,989 0.098,990 19,991 7,992 0.096,993 5,994 1,995 1.095,996 3.964,997 199.913,998 0.095,999 21,1000 108.096,1005 16.467,1006 7.486,1007 3.984,1008 1.701,1009 75.138,1010 15.954,1011 4.195,1013 5.335,1015 2.64,1017 42.683,1018 451.49,1019 36,1031 48.578,1032 54.983,1034 0.25,1035 0.588,1036 0.774,1037 0.866,1038 0.876,1039 0.876,1040 4.828,1041 1.402,1042 5.68,1043 3.755,1044 4.344,1045 4.871,1046 0.918,1047 6.431,1048 4.302,1049 5.999,1050 1,1051 7.194,1052 3.042,1053 3.761,1054 4.543,1055 0.325,1056 7.182,1057 3.678,1058 7.279,1059 1,1060 8.803,1061 2.275,1062 5.878,1063 7.042,1064 0.671,1065 10.26,1066 5.798,1067 8.593,1068 0.82,1069 10.47,1070 2.136,1071 6.133,1072 7.633,1073 0.393,1074 11.893,1075 6.022,1076 9.944,1077 0.517,1078 12.178,1079 1.924,1080 7.677,1081 9.568,1082 0.533,1083 14.466,1084 7.566,1085 11.322,1086 0.077,1087 13.914,1088 1.24,1089 8.346,1090 10.624,1091 0.384,1092 16.491,1093 8.215,1094 12.722,1095 -0.331,1096 15.672,1097 0.193,1098 9.638,1099 12.314,1100 0.438,1101 18.897,1102 9.502,1103 3.085,1104 -0.526,1105 17.449,1106 -0.801,1107 10.522,1108 13.604,1109 0.351,1110 21.098,1111 10.372,1112 2.725,1113 10.317,1114 19.241,1115 -1.242,1116 11.702,1117 15.185,1118 0.366,1119 23.449,1120 11.545,1121 2.478,1122 7.79,1123 21.045,1124 4.499,1125 12.697,1126 16.589,1127 0.312,1128 25.726,1129 12.53,1130 2.306,1131 6.994,1132 22.861,1133 3.457,1134 13.83,1135 18.123,1136 0.309,1137 28.062,1138 13.655,1139 2.074,1140 6.55,1141 24.686,1142 3.136,1143 14.883,1144 19.58,1145 0.273,1146 30.37,1147 14.698,1148 1.765,1149 5.86,1150 26.52,1151 2.641,1152 15.998,1153 21.095,1154 0.262,1155 32.702,1156 15.806,1157 1.432,1158 5.113,1159 28.36,1160 2.473,1161 17.081,1162 22.577,1163 0.236,1164 35.024,1165 16.88,1166 8097,1167 12363,1168 19.474,1169 32.296,1170 41.575,1171 41.381,1172 41.794,1173 41.439,1174 41.362,1175 53.249,1176 2.178,1177 114.378,1178 40.478,1179 5.545,1180 5.165,1181 6.34,1182 5.11,1183 5.085,1184 7.499,1185 1.605,1186 17.053,1187 5.052,1188 6.731,1189 1.485,1190 1.478,1191 1.493,1192 1.48,1193 1.477,1194 1.902,1195 0.078,1196 4.085,1197 1.446,1198 4.095,1199 4.111,1200 4.063,1201 3.983,1202 6.471,1203 3.997,1204 3.947,1205 3.99,1206 3.863,1207 3.864,1208 5.243,1209 3.858,1210 3.816,1211 3.863,1212 3.7,1213 3.713,1214 4.756,1215 3.702,1216 3.485,1217 3.543,1218 3.381,1219 3.33,1220 4.32,1221 3.332,1222 3.279,1223 3.327,1224 3.171,1225 3.083,1226 4.293,1227 3.093,1228 3.111,1229 3.206,1230 2.916,1231 2.941,1232 3.951,1233 2.91,1234 3.072,1235 3.133,1236 2.866,1237 2.884,1238 3.742,1239 2.887,1240 2.911,1241 2.96,1242 2.778,1243 2.766,1244 3.674,1245 2.762,1246 0.162,1247 0.113,1248 0.233,1249 0.146,1250 0.11,1251 4.545,1252 0.161,1253 3.165,1254 0.033,1255 6.538,1256 0.368,1257 4.074,1258 0.109,1259 3.085,1260 4.499,1261 0.916,1262 10.317,1263 3.052,1264 1.945,1265 1.917,1266 2.106,1267 2.07,1268 1.487,1269 2.085,1270 1.916,1271 1.89,1272 2.025,1273 2.001,1274 1.197,1275 2.005,1276 1.827,1277 1.781,1278 1.977,1279 1.945,1280 1.128,1281 1.961,1282 1.498,1283 1.441,1284 1.725,1285 1.714,1286 0.962,1287 1.714,1288 1.215,1289 1.154,1290 1.513,1291 1.45,1292 0.825,1293 1.443,1294 1.153,1295 1.064,1296 1.461,1297 1.376,1298 0.688,1299 1.429,1300 1.004,1301 0.955,1302 1.241,1303 1.283,1304 0.437,1305 1.264,1306 0.911,1307 0.886,1308 1.181,1309 1.15,1310 0.218,1311 1.128,1312 4.043,1314 5.342,1315 2.398,1316 6.832,1317 4.727,1318 8.404,1319 6.823,1320 10.018,1327 9.511,1328 8.014,1332 0.76,1333 2.556,1340 30.267,1341 68.843,1342 161.763,1343 212.856,1344 238.366,1345 241.121,1346 241.121,1347 34.315,1348 7.42,1349 49.5,1350 49.5,1351 23,1352 12.298,1353 4.087,1354 3.17,1355 36.315,1356 108,1357 96,1358 0.163,1359 183.725,1360 310.82,1361 440.05,1362 18469,1364 17.062,1365 0.682,1366 0.576,1367 17.062,1368 14.396,1369 12.276,1370 0.438,1371 0.325,1372 9.027,1373 11.912,1374 8.847,1375 7.306,1376 12.276,1377 9.113,1378 10.883,1379 0.286,1380 0.186,1381 10.883,1382 7.054,1383 9.121,1384 0.186,1385 0.108,1386 9.121,1387 5.276,1388 7.575,1389 0.12,1390 0.06,1391 7.575,1392 3.774,1393 6.157,1394 0.08,1395 0.036,1396 6.157,1397 2.788,1398 0.265,1399 76.208,1400 0.227,1401 24.958,1402 0.42,1403 132,1404 327.175,1405 141.449,1406 319.266,1407 442.83,1408 300,1409 153,1410 336.166,1411 163.477,1412 338.489,1413 488.84,1414 319,1415 7.59}
{0 CHEMBL92629,1 1.401,2 11.667,3 4.104,4 16.844,5 99.216,6 6.84,7 0.593,8 3.944,9 4.071,10 3.461,11 3.5,12 4.934,13 3.459,14 4.502,15 4.688,16 3.776,17 3.907,18 5.388,19 3.835,20 4.792,21 5.034,22 3.754,23 4.022,24 5.571,25 3.893,26 4.865,27 5.154,28 3.569,29 3.931,30 5.566,31 3.77,32 4.71,33 5.003,34 3.445,35 3.812,36 5.397,37 3.656,38 4.577,39 4.827,40 3.441,41 3.808,42 5.312,43 3.659,44 4.618,45 4.885,46 3.348,47 3.76,48 5.34,49 3.594,50 4.456,51 4.725,52 3.162,53 3.582,54 5.173,55 3.404,56 0.096,57 0.685,58 10.734,59 4.431,60 9.579,61 6.173,62 0.156,63 1.147,64 19.656,65 7.425,66 15.561,67 10.587,68 0.234,69 1.411,70 27.246,71 10.103,72 22.691,73 14.757,74 0.286,75 1.438,76 30.464,77 10.18,78 26.793,79 15.298,80 0.294,81 1.231,82 26.14,83 8.845,84 23.722,85 13.184,86 0.159,87 1.111,88 21.953,89 8.426,90 16.699,91 12.178,92 0.236,93 1.104,94 23.45,95 8.715,96 21.804,97 12.471,98 0.208,99 0.927,100 19.9,101 7.541,102 18.648,103 10.866,105 36,106 0.239,107 0.542,108 0.688,109 0.797,110 0.832,111 0.832,112 3.227,113 0.97,114 -4.97,115 -4.87,116 -4.57,121 42.6,123 2,124 1,127 4,144 9,145 2,149 1,154 1,168 1,176 12,180 6,183 1,185 2,187 11,192 7,195 1,197 3,200 5,206 6,211 2,214 3,219 4,222 1,224 1,227 8,232 2,239 10,243 1,244 1,249 1,251 9,255 1,256 1,261 2,264 3,269 3,274 2,277 1,281 806,282 16.861,283 16.861,284 16.861,285 16.861,286 16.861,287 14.953,288 18.133,289 10.268,290 17.058,291 13.381,292 13.381,293 13.381,294 13.381,295 13.381,296 10.634,297 25.729,298 4.933,299 13.698,300 4.154,301 2.381,302 1.524,303 0.885,304 0.681,305 0.681,306 3.935,311 1,312 1,313 626,314 2.449,317 55.262,318 229.149,321 103.405,325 1.972,326 10.7,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 50.5,338 280,339 4.524,340 3.111,341 6.526,342 4.045,343 3.063,344 4.473,345 0.916,346 10.265,347 3.009,348 3.941,349 3.016,350 5.617,351 3.687,352 2.724,353 3.457,354 0.4,355 7.789,356 2.629,357 3.615,358 2.576,359 5.344,360 3.467,361 2.472,362 2.785,363 0.172,364 6.973,365 2.459,366 3.407,367 2.302,368 5.116,369 3.067,370 2.118,371 2.615,373 6.035,374 2.003,375 3.152,376 2.049,377 4.944,378 2.916,379 1.953,380 2.318,382 5.771,383 1.876,384 3.046,385 1.546,386 4.185,387 2.544,388 1.546,389 2.229,391 3.763,392 1.543,393 2.823,394 1.519,395 3.602,396 2.416,397 1.422,398 1.925,400 3.044,401 1.413,402 2.648,403 1.265,404 3.586,405 2.185,406 1.204,407 1.713,409 2.814,410 1.178,411 2.5,412 1.077,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.155,421 1,422 3.286,423 1.984,424 1,425 1.042,427 2.136,428 0.983,429 2,430 0.93,431 3.247,432 1.782,433 0.819,434 1,436 1.896,437 0.786,438 1.702,439 0.536,440 3.018,441 1.441,442 0.462,443 0.568,445 1.09,446 0.451,447 1.219,448 0.283,449 2.77,450 1.021,451 0.057,452 0.064,454 0.143,455 0.055,456 0.779,457 -0.315,458 2.243,459 0.519,460 -0.464,461 -0.532,463 -1.099,464 -0.455,465 0.66,466 -0.659,467 2,468 0.211,469 -0.774,470 -0.965,472 -1.812,473 -0.759,474 11.533,475 0.481,476 0.376,477 0.016,478 30,479 1.25,480 14.5,481 0.604,482 15.5,483 0.646,484 18.967,485 0.79,486 25.667,487 0.546,488 18.17,489 0.757,490 5.825,491 0.243,492 6.057,493 0.252,496 0.251,501 0.739,502 1.245,503 0.851,504 1.071,505 0.671,506 0.987,507 1.024,508 1.137,509 1.022,510 1.078,511 0.797,512 1.045,513 0.834,514 1.189,515 1.025,516 1.136,517 0.712,518 1.104,519 1.133,520 1.015,521 1.016,522 0.952,523 0.988,524 0.964,525 1.114,526 0.752,527 0.966,528 0.777,529 1.084,530 0.837,531 0.87,532 1.039,533 1.067,534 1.097,535 1.108,536 1.099,537 1.136,538 0.911,539 1.08,540 1.016,541 1.269,542 1.045,543 0.915,544 1.067,545 1.03,546 1.086,547 1.031,548 1.087,549 3.5,550 0.062,551 2,552 0.979,553 0.716,554 0.306,555 0.331,556 0.205,557 0.083,558 0.093,559 7924,560 17005,561 2.213,562 48.9,564 17,567 1,569 5,572 1.66,573 2.182,574 3.5,575 -0.383,577 1,582 65.83,583 1.401,584 3.173,585 4.03,586 4.669,587 4.874,588 4.874,589 2.924,590 4.168,591 4.558,592 3.673,593 1013.63,594 7.817,595 12529.9,597 1,599 1,600 261.066,601 0.811,602 4.56,603 0.13,604 0.005,605 0.056,606 0.03,607 0.028,608 0.013,609 0.014,610 0.01,611 0.005,612 0.007,613 0.295,614 0.33,615 1,617 117.023,618 0.206,619 -0.066,620 0.084,621 -0.009,622 0.226,623 0.018,624 -0.029,625 -0.012,626 -0.063,627 -0.074,628 0.058,629 -0.069,630 0.064,631 -0.183,632 -0.058,633 -0.152,634 0.137,635 -0.124,636 -0.079,637 -0.059,638 -0.015,639 -0.02,640 -0.004,641 -0.011,642 -0.08,643 0.208,644 0.036,645 0.158,646 -0.116,647 0.118,648 -0.066,649 -0.059,650 -0.11,651 -0.101,652 -0.204,653 -0.107,654 -0.064,655 0.023,656 -0.094,657 -0.039,658 -0.205,659 -0.067,660 0.074,661 -0.162,662 -0.051,663 -0.097,664 -0.074,665 -0.096,666 0.822,667 1.852,668 0.875,669 22.75,670 0.989,671 1.125,672 3.736,673 13.96,674 0.661,675 3.332,676 3.611,677 3.871,678 4.111,679 4.29,680 4.234,681 4.344,682 4.466,683 4.443,684 4.533,685 6.862,686 0.618,687 321.46,688 3.332,689 4.844,690 5.68,691 6.532,692 7.381,693 8.238,694 9.091,695 9.951,696 10.807,697 11.668,698 6.4,701 1,703 1,708 1,714 2,715 9,716 1,718 1,720 2,722 16,734 1,741 47,743 16,744 2,745 27,747 50,748 20,749 13,750 3,751 9,756 4,757 5,767 2,768 1,770 2,772 13,773 7,774 1,790 1,793 23,794 4,795 1,796 4,801 1,802 3,808 0.75,809 1,828 1,829 3,832 1,855 1,859 3,868 24,876 6,877 1,880 1,881 1,893 2.1,898 1,901 11,902 8.15,903 5.306,904 2.974,907 2.869,908 1.393,909 1.006,910 4.7,911 10.176,912 3.584,913 4.139,914 4.708,915 5.269,916 5.703,917 5.794,918 6.111,919 6.416,920 6.117,921 6.287,922 0.875,923 33,924 8.874,926 3.729,927 0.026,929 7.417,931 17.679,933 14.886,936 1.917,937 46,938 0.001,940 1,941 258.964,942 111.701,943 40.732,945 9.734,948 111.701,949 268.698,950 40.732,952 13.492,953 85.286,954 37.607,955 18.617,956 7.164,957 258.964,959 258.964,960 152.432,961 9.734,964 200.109,965 68.59,968 16.616,969 98.209,970 37.607,972 258.964,973 50.466,974 111.701,977 258.964,978 26.415,979 88.411,980 18.011,981 29.331,982 258.964,983 50.466,984 111.701,986 0.568,987 0.328,988 0.18,989 0.096,990 18,991 6,992 0.1,993 5,994 1,995 1.095,996 3.909,997 188.507,998 0.095,999 21,1000 102.039,1005 15.523,1006 7.266,1007 3.753,1008 1.914,1009 50.466,1010 18.739,1011 4.154,1013 5.352,1015 2.278,1017 18.011,1018 421.131,1019 35,1031 46.469,1032 52.856,1034 0.252,1035 0.571,1036 0.726,1037 0.841,1038 0.877,1039 0.877,1040 4.787,1041 1.204,1042 5.617,1043 3.044,1044 4.29,1045 4.824,1046 1.038,1047 6.358,1048 4.244,1049 5.943,1050 1,1051 7.12,1052 2.814,1053 3.611,1054 4.388,1055 0.325,1056 7.096,1057 3.533,1058 7.211,1059 1,1060 8.724,1061 2.275,1062 5.808,1063 6.977,1064 0.697,1065 10.187,1066 5.716,1067 8.516,1068 0.819,1069 10.39,1070 2.136,1071 6.019,1072 7.52,1073 0.393,1074 11.84,1075 5.899,1076 9.862,1077 0.462,1078 12.099,1079 1.896,1080 7.603,1081 9.5,1082 0.537,1083 14.406,1084 7.469,1085 11.236,1086 0.057,1087 13.84,1088 1.09,1089 8.252,1090 10.537,1091 0.384,1092 16.446,1093 8.096,1094 12.634,1095 -0.464,1096 15.604,1097 0.143,1098 9.563,1099 12.245,1100 0.438,1101 18.843,1102 9.391,1103 3.063,1104 -0.774,1105 17.386,1106 -1.099,1107 10.437,1108 13.528,1109 0.351,1110 21.049,1111 10.246,1112 2.724,1113 10.265,1114 19.183,1115 -1.812,1116 11.624,1117 15.115,1118 0.366,1119 23.394,1120 11.416,1121 2.472,1122 7.789,1123 20.993,1124 4.473,1125 12.613,1126 16.513,1127 0.312,1128 25.67,1129 12.386,1130 2.118,1131 6.973,1132 22.812,1133 3.457,1134 13.746,1135 18.047,1136 0.309,1137 28,1138 13.503,1139 1.953,1140 6.035,1141 24.641,1142 2.785,1143 14.793,1144 19.499,1145 0.273,1146 30.305,1147 14.532,1148 1.546,1149 5.771,1150 26.476,1151 2.615,1152 15.905,1153 21.011,1154 0.262,1155 32.632,1156 15.628,1157 1.422,1158 3.763,1159 28.318,1160 2.318,1161 16.981,1162 22.487,1163 0.236,1164 34.949,1165 16.687,1166 7277,1167 10796,1168 19.068,1169 31.086,1170 39.913,1171 39.84,1172 39.975,1173 39.687,1174 39.682,1175 51.379,1176 2.978,1177 107.99,1178 38.77,1179 5.524,1180 5.111,1181 6.328,1182 5.083,1183 5.063,1184 7.473,1185 1.605,1186 16.922,1187 5.009,1189 1.478,1190 1.476,1191 1.481,1192 1.47,1193 1.47,1194 1.903,1195 0.11,1196 4,1197 1.436,1198 4.084,1199 4.106,1200 4.051,1201 3.965,1202 5.271,1203 3.98,1204 3.947,1205 3.991,1206 3.863,1207 3.864,1208 4.756,1209 3.858,1210 3.812,1211 3.861,1212 3.696,1213 3.701,1214 4.469,1215 3.692,1216 3.431,1217 3.508,1218 3.324,1219 3.228,1220 4.343,1221 3.243,1222 3.262,1223 3.319,1224 3.148,1225 3.08,1226 4.09,1227 3.086,1228 3.111,1229 3.206,1230 2.893,1231 2.941,1232 3.774,1233 2.91,1234 3.038,1235 3.109,1236 2.866,1237 2.843,1238 3.674,1239 2.842,1240 2.89,1241 2.948,1242 2.746,1243 2.764,1244 3.617,1245 2.754,1246 0.168,1247 0.115,1248 0.242,1249 0.15,1250 0.113,1251 4.524,1252 0.166,1253 3.111,1254 0.034,1255 6.526,1256 0.38,1257 4.045,1258 0.111,1259 3.063,1260 4.473,1261 0.916,1262 10.265,1263 3.009,1264 1.936,1265 1.904,1266 2.093,1267 2.068,1268 1.46,1269 2.08,1270 1.915,1271 1.89,1272 2.019,1273 1.998,1274 1.153,1275 2.005,1276 1.82,1277 1.769,1278 1.994,1279 1.943,1280 1.117,1281 1.963,1282 1.398,1283 1.326,1284 1.622,1285 1.681,1286 0.85,1287 1.657,1288 1.199,1289 1.142,1290 1.513,1291 1.449,1292 0.825,1293 1.432,1294 1.153,1295 1.064,1296 1.42,1297 1.376,1298 0.602,1299 1.429,1300 0.993,1301 0.938,1302 1.248,1303 1.262,1304 0.373,1305 1.257,1306 0.913,1307 0.874,1308 1.181,1309 1.091,1310 0.23,1311 1.107,1312 4.007,1314 5.293,1315 2.398,1316 6.777,1317 4.727,1318 8.343,1319 6.823,1320 9.949,1328 6.831,1329 3.479,1332 0.701,1333 2.553,1340 29.047,1341 65.83,1342 149.146,1343 189.417,1344 219.456,1345 229.066,1346 229.066,1347 27.784,1348 7.308,1349 41.3,1350 41.3,1351 23,1352 12.219,1353 4.087,1354 3.17,1355 34.226,1356 100,1357 88,1358 0.165,1359 176.931,1360 295.73,1361 423.472,1362 16163,1364 16.192,1365 0.675,1366 0.576,1367 16.192,1368 13.819,1369 11.882,1370 0.44,1371 0.323,1372 8.637,1373 11.527,1374 8.47,1375 7.017,1376 11.882,1377 8.729,1378 10.25,1379 0.285,1380 0.184,1381 10.25,1382 6.613,1383 8.785,1384 0.187,1385 0.104,1386 8.785,1387 4.892,1388 7.316,1389 0.122,1390 0.057,1391 7.316,1392 3.445,1393 5.915,1394 0.082,1395 0.035,1396 5.915,1397 2.52,1398 0.268,1399 73.722,1400 0.229,1401 24.101,1402 0.427,1403 126,1404 301.359,1405 135.121,1406 295.75,1407 416.66,1408 280,1409 146,1410 320.826,1411 156.869,1412 323.336,1413 468.41,1414 305,1415 6.495}
{0 CHEMBL92663,1 1.451,2 13.148,3 3.68,4 13.545,5 106.514,6 6.99,7 0.533,8 4.04,9 4.164,10 3.561,11 3.599,12 5.088,13 3.562,14 4.596,15 4.774,16 3.898,17 4.015,18 5.585,19 3.947,20 4.897,21 5.124,22 3.901,23 4.158,24 5.777,25 4.04,26 4.996,27 5.263,28 3.765,29 4.106,30 5.81,31 3.955,32 4.895,33 5.176,34 3.68,35 3.99,36 5.719,37 3.839,38 4.752,39 5.007,40 3.638,41 3.928,42 5.612,43 3.793,44 4.695,45 4.951,46 3.474,47 3.862,48 5.457,49 3.704,50 4.582,51 4.841,52 3.316,53 3.717,54 5.387,55 3.551,56 0.09,57 0.746,58 11.499,59 4.957,60 10.535,61 6.72,62 0.159,63 1.234,64 21.147,65 8.491,66 25.501,67 11.83,68 0.206,69 1.546,70 29.953,71 11.551,72 34.619,73 16.338,74 0.31,75 1.613,76 34.526,77 12.223,78 42.931,79 17.727,80 0.445,81 1.429,82 31.683,83 11.121,84 49.237,85 16.285,86 0.298,87 1.294,88 26.698,89 9.747,90 36.619,91 14.019,92 0.242,93 1.201,94 25.176,95 9.488,96 26.952,97 13.487,98 0.264,99 1.046,100 22.73,101 8.438,102 30.744,103 12.005,104 6,105 41,106 0.242,107 0.58,108 0.744,109 0.826,110 0.835,111 0.835,112 3.339,113 0.963,114 -4.14,115 -4.08,116 -3.86,121 42.3,123 4,124 1,127 3,144 8,145 3,148 1,154 1,160 1,165 1,166 1,167 1,168 1,176 14,180 8,182 1,183 1,185 1,187 15,189 1,192 11,197 2,200 9,203 2,206 9,211 1,214 6,216 1,218 1,219 6,221 1,222 1,224 1,227 11,229 1,231 1,232 2,234 1,235 1,239 12,243 1,244 2,249 1,251 12,253 1,255 1,256 2,261 1,264 7,266 1,269 4,274 1,277 4,279 1,281 1123,282 18.516,283 18.516,284 18.516,285 18.516,286 18.516,287 16.491,288 16.689,289 11.047,290 18.637,291 14.832,292 14.832,293 14.832,294 14.832,295 14.832,296 11.81,297 17.051,298 5.286,299 15.024,300 4.249,301 2.218,302 1.236,303 0.745,304 0.692,305 0.692,306 4.041,310 1,311 1,312 1,313 778,314 3.082,317 64.341,318 263.926,321 118.393,325 2.091,326 19.884,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 57.5,338 355,339 4.559,340 3.507,341 6.549,342 4.097,343 3.103,344 4.509,345 0.98,346 10.356,347 3.083,348 4.004,349 3.13,350 5.902,351 3.695,352 2.728,353 3.46,354 0.916,355 8.135,356 2.668,357 3.941,358 3.016,359 5.617,360 3.644,361 2.641,362 3.456,363 0.172,364 7.788,365 2.621,366 3.607,367 2.565,368 5.341,369 3.464,370 2.465,371 2.663,373 6.963,374 2.462,375 3.31,376 2.312,377 5.081,378 3.054,379 2.095,380 2.552,382 5.943,383 2.002,384 3.14,385 2.138,386 4.941,387 2.853,388 1.866,389 2.238,391 5.68,392 1.834,393 2.983,394 1.744,395 4.207,396 2.487,397 1.487,398 2.168,400 3.791,401 1.484,402 2.822,403 1.518,404 3.779,405 2.415,406 1.42,407 1.919,409 3.043,410 1.412,411 2.639,412 1.425,413 3.594,414 2.154,415 1.137,416 1.619,418 2.81,419 1.148,420 2.5,421 1.077,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.163,430 1,431 3.316,432 1.984,433 1,434 1.046,436 2.136,437 0.983,438 2,439 0.859,440 3.247,441 1.807,442 0.82,443 1,445 1.923,446 0.808,447 1.721,448 0.544,449 3.115,450 1.477,451 0.481,452 0.591,454 1.172,455 0.478,456 1.225,457 0.279,458 2.787,459 1.04,460 0.064,461 0.072,463 0.162,464 0.062,465 0.845,466 0.124,467 2.332,468 0.553,469 -0.443,470 -0.511,472 -1.072,473 -0.44,474 12.867,475 0.477,476 0.571,477 0.021,478 32.5,479 1.204,480 15.5,481 0.574,482 17,483 0.63,484 23.454,485 0.869,486 29.133,487 0.56,488 21.609,489 0.8,490 6.221,491 0.23,492 6.966,493 0.258,494 0.057,496 0.303,501 0.674,502 1.155,503 0.838,504 1.039,505 0.639,506 0.968,507 0.743,508 1.136,509 0.934,510 1.082,511 0.436,512 1.033,513 0.853,514 1.142,515 1.025,516 1.135,517 0.712,518 1.107,519 0.97,520 1.046,521 1.027,522 1.043,523 0.796,524 1.041,525 0.749,526 0.861,527 0.873,528 0.863,529 0.605,530 0.88,531 0.817,532 0.956,533 0.988,534 1.004,535 0.58,536 1.014,537 0.878,538 0.971,539 1.079,540 1.078,541 0.579,542 1.102,543 0.954,544 1.024,545 1.085,546 1.072,547 0.952,548 1.103,549 5,550 0.103,551 2.667,552 1.292,553 1.147,554 0.597,555 0.523,556 0.26,557 0.133,558 0.173,559 10633,560 25441,561 2.142,562 48.1,563 3,564 14,567 2,568 2,569 4,572 1.692,573 2.051,574 3.657,575 0.194,577 1,582 75.464,583 1.451,584 3.482,585 4.465,586 4.955,587 5.008,588 5.008,589 3.152,590 4.31,591 4.724,592 3.845,593 1349.5,594 8.155,595 18340.7,597 1,599 1,600 296.423,601 1.218,602 4.706,603 0.167,604 0.005,605 0.065,606 0.033,607 0.036,608 0.02,609 0.018,610 0.011,611 0.007,612 0.01,613 0.371,614 0.33,615 1,616 0.63,617 137.56,618 0.103,619 0.032,620 0.059,621 0.04,622 0.014,623 0.043,624 0.04,625 -0.026,626 -0.011,627 -0.046,628 0.166,629 -0.034,630 -0.044,631 -0.135,632 -0.076,633 -0.125,634 0.039,635 -0.108,636 -0.056,637 -0.095,638 -0.043,639 -0.076,640 -0.007,641 -0.06,642 0.157,643 0.065,644 0.119,645 0.101,646 0.117,647 0.106,648 0.049,649 0.023,650 -0.016,651 -0.025,652 0.067,653 -0.029,654 -0.042,655 -0.016,656 -0.113,657 -0.087,658 -0.058,659 -0.107,660 -0.013,661 -0.097,662 -0.107,663 -0.083,664 -0.109,665 -0.109,666 2.114,667 4.282,668 0.778,669 29.813,670 0.994,671 1.125,672 2.907,673 8.45,674 0.66,675 3.434,676 3.738,677 3.989,678 4.22,679 4.431,680 4.466,681 4.605,682 4.673,683 4.654,684 4.754,685 7.604,686 0.621,687 363.5,688 3.434,689 4.963,690 5.802,691 6.663,692 7.518,693 8.384,694 9.246,695 10.114,696 10.981,697 11.852,698 5.8,701 1,705 1,708 1,714 2,715 8,716 1,718 1,720 3,722 16,728 1,741 52,743 17,744 2,745 30,747 55,748 22,749 13,750 4,751 8,752 1,756 4,757 5,767 2,768 1,770 4,772 14,773 8,774 1,777 1,782 1,786 1,789 1,790 1,793 25,794 5,795 2,796 5,801 1,802 3,808 0.75,809 2,828 1,829 3,832 1,855 1,859 3,868 27,869 1,876 7,880 1,881 1,893 3.8,896 1,898 1,901 13.167,902 9.067,903 5.917,904 3.293,907 2.998,908 1.394,909 0.996,910 5.443,911 10.612,912 3.689,913 4.259,914 4.823,915 5.384,916 5.874,917 6.131,918 6.524,919 6.769,920 6.629,921 6.778,922 0.889,923 39,924 9.993,926 4.253,927 0.026,929 7.623,931 19.583,933 16.555,936 2.123,937 57.333,939 1,940 1,941 270.735,942 113.507,943 55.618,945 34.879,948 113.507,949 305.614,950 55.618,952 49.352,953 75.81,954 49.446,955 24.559,956 4.836,957 270.735,959 270.735,960 169.125,961 34.879,964 223.651,965 81.963,968 55.233,969 94.295,970 19.597,972 270.735,973 90.497,974 113.507,977 270.735,978 37.697,979 78.934,981 87.373,982 270.735,983 90.497,984 113.507,986 0.578,987 0.33,988 0.172,989 0.095,990 20,991 8,992 0.109,993 6,994 1,995 1.095,996 4.106,997 221.869,998 0.095,999 21,1000 120.382,1005 18.058,1006 8.138,1007 4.331,1008 1.625,1009 90.497,1010 15.996,1011 4.213,1013 5.397,1015 2.823,1017 32.897,1018 474.739,1019 39,1024 11.282,1028 -0.447,1031 51.68,1032 58.481,1034 0.255,1035 0.611,1036 0.783,1037 0.869,1038 0.879,1039 0.879,1040 4.913,1041 1.42,1042 5.765,1043 3.791,1044 4.419,1045 4.945,1046 1.487,1047 6.529,1048 4.395,1049 6.091,1050 1.137,1051 7.292,1052 3.043,1053 3.892,1054 4.663,1055 0.325,1056 7.326,1057 3.856,1058 7.378,1059 1,1060 8.917,1061 2.81,1062 5.969,1063 7.115,1064 1.335,1065 10.391,1066 5.921,1067 8.699,1068 1,1069 10.599,1070 2.275,1071 6.275,1072 7.737,1073 0.393,1074 12.042,1075 6.22,1076 10.056,1077 0.82,1078 12.32,1079 2.136,1080 7.79,1081 9.641,1082 1.245,1083 14.604,1084 7.724,1085 11.439,1086 0.481,1087 14.068,1088 1.923,1089 8.491,1090 10.71,1091 0.384,1092 16.626,1093 8.421,1094 12.843,1095 0.064,1096 15.835,1097 1.172,1098 9.766,1099 12.381,1100 1.178,1101 19.021,1102 9.686,1103 3.103,1104 -0.443,1105 17.618,1106 0.162,1107 10.667,1108 13.674,1109 0.351,1110 21.212,1111 10.582,1112 2.728,1113 10.356,1114 19.414,1115 -1.072,1116 11.837,1117 15.244,1118 1.123,1119 23.555,1120 11.744,1121 2.641,1122 8.135,1123 21.22,1124 4.509,1125 12.84,1126 16.647,1127 0.312,1128 25.823,1129 12.742,1130 2.465,1131 7.788,1132 23.035,1133 3.46,1134 13.967,1135 18.175,1136 1.074,1137 28.153,1138 13.862,1139 2.095,1140 6.963,1141 24.858,1142 3.456,1143 15.023,1144 19.631,1145 0.273,1146 30.455,1147 14.913,1148 1.866,1149 5.943,1150 26.687,1151 2.663,1152 16.136,1153 21.143,1154 1.031,1155 32.784,1156 16.02,1157 1.487,1158 5.68,1159 28.523,1160 2.552,1161 17.22,1162 22.624,1163 0.236,1164 35.104,1165 17.098,1166 9953,1167 15586,1168 20.572,1169 34.302,1170 44.975,1171 45.228,1172 45.246,1173 44.624,1174 44.615,1175 57.591,1176 4.137,1177 124.354,1178 44.091,1179 5.559,1180 5.507,1181 6.351,1182 5.132,1183 5.103,1184 7.509,1185 1.96,1186 17.126,1187 5.083,1188 10.027,1189 1.499,1190 1.508,1191 1.508,1192 1.487,1193 1.487,1194 1.92,1195 0.138,1196 4.145,1197 1.47,1198 4.106,1199 4.122,1200 4.074,1201 4,1202 7.437,1203 4.013,1204 3.948,1205 3.992,1206 3.863,1207 3.864,1208 5.256,1209 3.859,1210 3.818,1211 3.865,1212 3.703,1213 3.716,1214 4.886,1215 3.705,1216 3.564,1217 3.606,1218 3.506,1219 3.391,1220 4.756,1221 3.406,1222 3.362,1223 3.426,1224 3.23,1225 3.15,1226 4.368,1227 3.164,1228 3.133,1229 3.21,1230 2.999,1231 2.951,1232 4.32,1233 2.946,1234 3.111,1235 3.206,1236 2.914,1237 2.941,1238 3.957,1239 2.91,1240 3.044,1241 3.097,1242 2.866,1243 2.816,1244 3.756,1245 2.835,1246 0.152,1247 0.117,1248 0.218,1249 0.137,1250 0.103,1251 4.559,1252 0.15,1253 3.507,1254 0.033,1255 6.549,1256 0.345,1257 4.097,1258 0.103,1259 3.103,1260 4.509,1261 0.98,1262 10.356,1263 3.083,1264 1.956,1265 1.936,1266 2.106,1267 2.071,1268 1.487,1269 2.086,1270 1.926,1271 1.893,1272 2.031,1273 2.019,1274 1.206,1275 2.02,1276 1.832,1277 1.784,1278 1.992,1279 1.948,1280 1.139,1281 1.968,1282 1.516,1283 1.462,1284 1.733,1285 1.723,1286 0.979,1287 1.724,1288 1.252,1289 1.2,1290 1.513,1291 1.533,1292 0.825,1293 1.495,1294 1.153,1295 1.1,1296 1.47,1297 1.449,1298 0.693,1299 1.429,1300 1.146,1301 1.064,1302 1.371,1303 1.376,1304 0.454,1305 1.428,1306 1,1307 0.954,1308 1.215,1309 1.269,1310 0.265,1311 1.264,1312 4.111,1314 5.416,1315 2.398,1316 6.911,1317 4.727,1318 8.487,1319 6.823,1320 10.104,1326 5.323,1328 7.847,1332 0.73,1333 2.544,1340 32.289,1341 75.464,1342 181.065,1343 232.158,1344 257.668,1345 260.423,1346 260.423,1347 41.606,1348 7.614,1349 72.36,1350 72.36,1351 23,1352 12.395,1353 4.17,1354 3.322,1355 40.64,1356 125,1357 113,1358 0.158,1359 197.185,1360 336.48,1361 472.89,1362 23437,1364 18.64,1365 0.69,1366 0.572,1367 18.64,1368 15.434,1369 13.187,1370 0.44,1371 0.321,1372 9.538,1373 12.784,1374 9.345,1375 7.722,1376 13.187,1377 9.632,1378 11.782,1379 0.287,1380 0.182,1381 11.782,1382 7.448,1383 9.842,1384 0.186,1385 0.105,1386 9.842,1387 5.577,1388 7.982,1389 0.119,1390 0.059,1391 7.982,1392 3.939,1393 6.494,1394 0.078,1395 0.035,1396 6.494,1397 2.904,1398 0.258,1399 81.961,1400 0.22,1401 26.675,1402 0.406,1403 142,1404 368.074,1405 152.587,1406 359.134,1407 493.27,1408 336,1409 165,1410 369.617,1411 176.309,1412 372.93,1413 538.99,1414 351,1415 8.058}
{0 CHEMBL92736,1 1.433,2 13.821,3 3.799,4 14.429,5 111.016,6 6.864,7 0.516,8 4.09,9 4.215,10 3.597,11 3.64,12 5.105,13 3.599,14 4.654,15 4.84,16 3.93,17 4.045,18 5.597,19 3.975,20 4.946,21 5.177,22 3.907,23 4.184,24 5.797,25 4.065,26 5.028,27 5.3,28 3.809,29 4.155,30 5.791,31 3.999,32 4.938,33 5.209,34 3.733,35 4.064,36 5.732,37 3.916,38 4.846,39 5.103,40 3.711,41 4.014,42 5.691,43 3.873,44 4.783,45 5.036,46 3.593,47 3.92,48 5.62,49 3.777,50 4.636,51 4.903,52 3.36,53 3.774,54 5.378,55 3.604,56 0.09,57 0.787,58 12.393,59 5.286,60 9.456,61 7.256,62 0.175,63 1.306,64 22.914,65 8.86,66 21.468,67 12.582,68 0.283,69 1.621,70 31.966,71 11.636,72 36.679,73 16.698,74 0.334,75 1.665,76 35.459,77 12.87,78 36.155,79 18.829,80 0.327,81 1.503,82 32.61,83 11.8,84 38.898,85 16.994,86 0.335,87 1.399,88 29.372,89 10.76,90 39.324,91 15.56,92 0.358,93 1.289,94 27.885,95 9.978,96 37.326,97 14.179,98 0.26,99 1.12,100 23.896,101 8.765,102 24.155,103 12.735,104 7,105 42,106 0.236,107 0.564,108 0.752,109 0.829,110 0.837,111 0.837,112 3.374,113 0.977,114 -4.35,115 -4.29,116 -4.04,121 41.8,122 1,123 4,124 1,127 3,144 8,145 2,146 1,148 1,154 1,160 1,168 1,176 12,180 8,183 1,185 3,187 14,192 8,197 1,200 8,206 9,209 1,211 1,214 8,219 6,222 1,227 11,231 1,232 4,237 1,239 12,243 2,244 2,249 1,251 11,255 1,256 2,261 1,264 6,269 4,274 2,277 5,281 1268,282 19.17,283 19.17,284 19.17,285 19.17,286 19.17,287 17.083,288 20.704,289 11.557,290 19.334,291 15.364,292 15.364,293 15.364,294 15.364,295 15.364,296 12.27,297 24.458,298 5.575,299 15.625,300 4.349,301 2.36,302 1.219,303 0.755,304 0.705,305 0.705,306 4.076,311 1,312 1,313 844,314 3.24,317 67.853,318 276.624,321 124.314,325 2.25,326 18.016,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 59.5,338 387,339 4.549,340 3.534,341 6.54,342 4.081,343 3.091,344 4.502,345 1.907,346 10.332,347 3.06,348 3.941,349 3.155,350 5.618,351 3.689,352 2.726,353 3.457,354 0.916,355 7.79,356 2.634,357 3.839,358 3.017,359 5.485,360 3.507,361 2.526,362 3.243,363 0.172,364 7.351,365 2.485,366 3.606,367 2.58,368 5.331,369 3.447,370 2.455,371 2.672,372 0.149,373 6.946,374 2.421,375 3.411,376 2.48,377 5.028,378 3.073,379 2.103,380 2.6,382 5.919,383 2.044,384 3.202,385 2.228,386 4.936,387 2.97,388 1.972,389 2.422,391 5.646,392 1.941,393 3.121,394 1.93,395 4.383,396 2.716,397 1.714,398 2.233,400 4.416,401 1.712,402 2.858,403 1.518,404 4.207,405 2.426,406 1.43,407 1.997,409 3.752,410 1.423,411 2.808,412 1.457,413 3.594,414 2.386,415 1.397,416 1.903,418 3.042,419 1.379,420 2.5,421 1.077,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.174,430 1,431 3.316,432 1.984,433 1,434 1.056,436 2.136,437 0.983,438 2,439 0.863,440 3.247,441 1.807,442 0.82,443 1,445 1.924,446 0.808,447 1.747,448 0.684,449 3.136,450 1.517,451 0.523,452 0.637,454 1.26,455 0.519,456 1.261,457 0.509,458 2.798,459 1.063,460 0.088,461 0.098,463 0.222,464 0.085,465 1.146,466 0.275,467 2.632,468 0.827,469 -0.15,470 -0.179,472 -0.399,473 -0.145,474 13.367,475 0.477,476 0.588,477 0.021,478 33.75,479 1.205,480 16,481 0.571,482 17.75,483 0.634,484 24.899,485 0.889,486 30.433,487 0.553,488 22.259,489 0.795,490 6.423,491 0.229,492 7.247,493 0.259,494 0.062,496 0.292,501 0.653,502 1.257,503 0.847,504 1.103,505 0.534,506 1.014,507 0.773,508 1.203,509 0.936,510 1.096,511 0.498,512 1.037,513 1.068,514 1.09,515 1.105,516 1.072,517 1.017,518 1.085,519 0.771,520 1.005,521 0.955,522 1.013,523 0.504,524 1.005,525 0.965,526 0.907,527 0.946,528 0.931,529 0.868,530 0.938,531 0.786,532 1.003,533 0.978,534 1.029,535 0.73,536 1.023,537 1.145,538 0.94,539 1.085,540 1.005,541 0.739,542 1.039,543 0.839,544 1.018,545 1.069,546 1.06,547 0.613,548 1.09,549 5.5,550 0.103,551 2.222,552 1.417,553 1.107,554 0.615,555 0.533,556 0.342,557 0.157,558 0.133,559 11804,560 27376,561 2.137,562 49.1,563 3,564 14,567 1,568 5,569 4,572 1.702,573 2.049,574 3.723,575 -0.394,577 1,582 78.796,583 1.433,584 3.421,585 4.563,586 5.027,587 5.077,588 5.077,589 3.244,590 4.307,591 4.775,592 3.913,593 1479.25,594 8.259,595 20846,597 1,599 1,600 317.975,601 1.198,602 4.76,603 0.177,604 0.005,605 0.053,606 0.036,607 0.033,608 0.019,609 0.017,610 0.013,611 0.007,612 0.007,613 0.368,614 0.33,615 1,616 0.787,617 144.828,618 0.131,619 -0.059,620 0.07,621 -0.008,622 0.057,623 0.016,624 0.052,625 -0.082,626 0.009,627 -0.065,628 0.126,629 -0.037,630 -0.125,631 -0.057,632 -0.135,633 -0.082,634 -0.084,635 -0.104,636 0.041,637 -0.05,638 0.017,639 -0.038,640 0.08,641 -0.017,642 -0.022,643 0.035,644 0.039,645 0.043,646 -0.017,647 0.046,648 0.099,649 -0.031,650 -0.005,651 -0.044,652 0.05,653 -0.034,654 -0.025,655 0.021,656 -0.089,657 -0.033,658 0.008,659 -0.067,660 0.002,661 -0.063,662 -0.099,663 -0.08,664 -0.062,665 -0.101,666 1.752,667 4.197,668 0.75,669 33.847,670 0.992,671 1.125,672 3.122,673 9.745,674 0.656,675 3.466,676 3.761,677 3.989,678 4.248,679 4.443,680 4.477,681 4.625,682 4.754,683 4.727,684 4.787,685 7.937,686 0.615,687 377.53,688 3.466,689 4.99,690 5.82,691 6.681,692 7.527,693 8.393,694 9.247,695 10.116,696 10.976,697 11.848,698 5.5,701 1,705 1,708 1,714 2,715 8,716 1,718 1,720 3,722 16,741 55,743 17,744 2,745 31,747 58,748 23,749 13,750 4,751 8,756 4,757 5,763 1,767 2,768 1,770 4,772 14,773 9,774 1,777 1,782 1,786 1,790 1,793 27,794 5,795 1,796 5,801 1,802 3,808 0.75,809 2,828 1,829 3,832 1,843 1,855 1,859 3,864 1,868 28,876 7,877 1,880 1,881 1,893 3.6,896 1,898 1,901 13.667,902 9.983,903 6.139,904 3.522,907 2.998,908 1.389,909 0.986,910 5.966,911 10.697,912 3.714,913 4.273,914 4.799,915 5.384,916 5.855,917 6.086,918 6.47,919 6.814,920 6.695,921 6.795,922 1,923 39,924 10.365,926 4.354,927 0.026,929 7.565,931 20.422,933 17.095,936 2.065,937 57.833,939 1,940 1,941 306.049,942 121.903,943 40.732,945 34.879,948 121.903,949 340.928,950 40.732,951 8.825,952 34.466,953 75.81,954 49.446,955 24.13,956 4.836,957 306.049,959 306.049,960 162.635,961 34.879,964 258.964,965 81.963,968 49.172,969 93.866,970 19.597,972 306.049,973 75.611,974 121.903,977 306.049,978 37.268,979 87.759,980 18.011,981 54.476,982 306.049,983 75.611,984 121.903,986 0.573,987 0.316,988 0.174,989 0.095,990 20,991 8,992 0.103,993 6,994 1,995 1.095,996 4.216,997 231.066,998 0.095,999 21,1000 126.606,1005 19.012,1006 8.786,1007 4.949,1008 1.787,1009 75.611,1010 16.464,1011 4.273,1013 5.485,1015 3.165,1017 18.011,1018 503.563,1019 40,1024 11.197,1028 -0.085,1031 54.563,1032 61.896,1034 0.248,1035 0.592,1036 0.789,1037 0.869,1038 0.878,1039 0.878,1040 4.934,1041 1.43,1042 5.778,1043 4.416,1044 4.443,1045 4.959,1046 2.146,1047 6.526,1048 4.41,1049 6.107,1050 1.397,1051 7.29,1052 3.752,1053 3.892,1054 4.663,1055 1.668,1056 7.273,1057 3.843,1058 7.387,1059 1,1060 8.896,1061 3.042,1062 5.974,1063 7.107,1064 2.955,1065 10.345,1066 5.904,1067 8.699,1068 1,1069 10.56,1070 2.275,1071 6.236,1072 7.699,1073 3.055,1074 11.961,1075 6.151,1076 10.046,1077 0.82,1078 12.262,1079 2.136,1080 7.766,1081 9.61,1082 4.05,1083 14.531,1084 7.663,1085 11.418,1086 0.523,1087 13.994,1088 1.924,1089 8.432,1090 10.661,1091 4.415,1092 16.542,1093 8.317,1094 12.811,1095 0.088,1096 15.747,1097 1.26,1098 9.717,1099 12.34,1100 5.253,1101 18.944,1102 9.588,1103 3.091,1104 -0.15,1105 17.518,1106 0.222,1107 10.596,1108 13.627,1109 5.751,1110 21.136,1111 10.456,1112 2.726,1113 10.332,1114 19.305,1115 -0.399,1116 11.771,1117 15.203,1118 6.502,1119 23.484,1120 11.619,1121 2.526,1122 7.79,1123 21.104,1124 4.502,1125 12.762,1126 16.605,1127 7.069,1128 25.756,1129 12.601,1130 2.455,1131 7.351,1132 22.915,1133 3.457,1134 13.892,1135 18.136,1136 7.771,1137 28.09,1138 13.72,1139 2.103,1140 6.946,1141 24.735,1142 3.243,1143 14.941,1144 19.593,1145 8.375,1146 30.396,1147 14.762,1148 1.972,1149 5.919,1150 26.564,1151 2.672,1152 16.054,1153 21.107,1154 9.051,1155 32.728,1156 15.866,1157 1.714,1158 5.646,1159 28.4,1160 2.6,1161 17.134,1162 22.588,1163 9.674,1164 35.049,1165 16.939,1166 11095,1167 17070,1168 21.266,1169 36.063,1170 45.963,1171 46.379,1172 46.197,1173 45.693,1174 45.691,1175 58.639,1176 6.29,1177 126.019,1178 44.99,1179 5.549,1180 5.534,1181 6.342,1182 5.117,1183 5.091,1184 7.502,1185 3.306,1186 17.082,1187 5.06,1188 10.422,1189 1.483,1190 1.496,1191 1.49,1192 1.474,1193 1.474,1194 1.892,1195 0.203,1196 4.065,1197 1.451,1198 4.103,1199 4.122,1200 4.07,1201 3.992,1202 7.43,1203 4.005,1204 3.948,1205 3.992,1206 3.863,1207 3.864,1208 5.258,1209 3.859,1210 3.817,1211 3.865,1212 3.702,1213 3.714,1214 4.756,1215 3.704,1216 3.606,1217 3.654,1218 3.531,1219 3.395,1220 4.486,1221 3.415,1222 3.427,1223 3.493,1224 3.29,1225 3.246,1226 4.32,1227 3.249,1228 3.239,1229 3.298,1230 3.13,1231 3.063,1232 3.981,1233 3.065,1234 3.111,1235 3.206,1236 2.916,1237 2.941,1238 3.884,1239 2.91,1240 3.068,1241 3.131,1242 2.866,1243 2.879,1244 3.739,1245 2.882,1246 0.147,1247 0.114,1248 0.211,1249 0.132,1250 0.1,1251 4.549,1252 0.145,1253 3.534,1254 0.062,1255 6.54,1256 0.333,1257 4.081,1258 0.099,1259 3.091,1260 4.502,1261 1.907,1262 10.332,1263 3.06,1264 1.951,1265 1.924,1266 2.106,1267 2.071,1268 1.487,1269 2.086,1270 1.923,1271 1.892,1272 2.03,1273 2.021,1274 1.204,1275 2.021,1276 1.83,1277 1.783,1278 1.99,1279 1.949,1280 1.137,1281 1.968,1282 1.525,1283 1.469,1284 1.746,1285 1.742,1286 0.978,1287 1.742,1288 1.423,1289 1.369,1290 1.686,1291 1.675,1292 0.825,1293 1.67,1294 1.211,1295 1.149,1296 1.513,1297 1.45,1298 0.725,1299 1.442,1300 1.153,1301 1.064,1302 1.461,1303 1.376,1304 0.683,1305 1.429,1306 1.004,1307 0.955,1308 1.248,1309 1.278,1310 0.446,1311 1.264,1312 4.143,1314 5.442,1315 2.398,1316 6.925,1317 4.727,1318 8.489,1319 6.823,1320 10.098,1322 1.501,1328 7.963,1329 2.78,1332 0.748,1333 2.556,1340 33.815,1341 78.796,1342 188.161,1343 250.955,1344 276.465,1345 279.22,1346 279.22,1347 41.564,1348 7.699,1349 58.37,1350 58.37,1351 23,1352 12.393,1353 4.17,1354 3.322,1355 42.876,1356 135,1357 122,1358 0.154,1359 206.777,1360 353.78,1361 496.296,1362 26276,1364 19.347,1365 0.691,1366 0.584,1367 19.347,1368 16.357,1369 13.67,1370 0.441,1371 0.326,1372 9.992,1373 13.229,1374 9.74,1375 8.076,1376 13.67,1377 10.094,1378 12.274,1379 0.292,1380 0.185,1381 12.274,1382 7.765,1383 9.772,1384 0.184,1385 0.106,1386 9.772,1387 5.613,1388 8.318,1389 0.121,1390 0.059,1391 8.318,1392 4.067,1393 6.635,1394 0.079,1395 0.035,1396 6.635,1397 2.961,1398 0.252,1399 84.979,1400 0.217,1401 27.588,1402 0.395,1403 146,1404 377.094,1405 157.613,1406 366.451,1407 504.63,1408 344,1409 168,1410 379.026,1411 179.81,1412 381.506,1413 548.81,1414 359,1415 8.552}
{0 CHEMBL92775,1 1.392,2 13,3 4.557,4 20.767,5 103.671,6 7.051,7 0.552,8 3.976,9 4.094,10 3.516,11 3.573,12 5.025,13 3.529,14 4.538,15 4.716,16 3.834,17 3.985,18 5.434,19 3.911,20 4.843,21 5.076,22 3.837,23 4.126,24 5.67,25 3.999,26 4.934,27 5.209,28 3.688,29 4.059,30 5.712,31 3.899,32 4.803,33 5.088,34 3.585,35 3.934,36 5.584,37 3.778,38 4.671,39 4.931,40 3.547,41 3.885,42 5.478,43 3.739,44 4.644,45 4.902,46 3.42,47 3.825,48 5.396,49 3.663,50 4.522,51 4.788,52 3.251,53 3.678,54 5.302,55 3.504,56 0.085,57 0.685,58 10.464,59 4.685,60 11.472,61 6.341,62 0.113,63 1.166,64 19.578,65 8.006,66 12.545,67 11.098,68 0.177,69 1.497,70 28.089,71 11.167,72 26.039,73 15.812,74 0.268,75 1.572,76 32.359,77 11.896,78 36.681,79 17.128,80 0.295,81 1.366,82 28.675,83 10.545,84 38.146,85 15.269,86 0.202,87 1.239,88 24.28,89 9.336,90 27.521,91 13.369,92 0.22,93 1.161,94 23.873,95 9.348,96 24.482,97 13.095,98 0.224,99 1.019,100 21.276,101 8.229,102 26.181,103 11.677,104 3,105 39,106 0.234,107 0.554,108 0.73,109 0.817,110 0.826,111 0.826,112 3.303,113 0.969,114 -4.52,115 -4.44,116 -4.19,121 44.9,123 4,124 1,127 3,144 8,145 3,148 1,154 1,160 1,168 1,176 14,180 8,187 15,192 11,200 9,206 9,214 6,218 1,219 6,227 11,231 1,232 2,239 12,243 1,244 2,251 12,255 1,256 2,264 7,269 4,277 4,281 1006,282 18.179,283 18.179,284 18.179,285 18.179,286 18.179,287 16.207,288 17.189,289 10.907,290 18.331,291 14.292,292 14.292,293 14.292,294 14.292,295 14.292,296 11.286,297 17.043,298 5.159,299 14.538,300 4.223,301 2.313,302 1.271,303 0.75,304 0.694,305 0.694,306 4.008,311 1,312 1,313 745,314 2.739,317 61.23,318 252.15,321 113.237,325 2,326 14.777,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 54.5,338 338,339 4.552,340 4.058,341 6.54,342 4.081,343 3.089,344 4.506,345 2.035,346 10.329,347 3.063,348 3.941,349 3.149,350 5.617,351 3.689,352 2.725,353 3.457,354 0.916,355 7.79,356 2.634,357 3.913,358 3.017,359 5.415,360 3.482,361 2.485,362 3.309,363 0.172,364 7.097,365 2.478,366 3.606,367 2.573,368 5.319,369 3.372,370 2.382,371 2.649,373 6.883,374 2.356,375 3.318,376 2.438,377 4.977,378 3.039,379 2.082,380 2.512,382 5.885,383 1.983,384 3.144,385 2.221,386 4.91,387 2.783,388 1.796,389 2.235,391 5.415,392 1.771,393 3.035,394 1.917,395 4.207,396 2.434,397 1.44,398 2.073,400 3.765,401 1.43,402 2.827,403 1.518,404 3.594,405 2.402,406 1.411,407 1.912,409 3.042,410 1.396,411 2.752,412 1.454,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.5,421 1.077,422 3.316,423 1.984,424 1,425 1.11,427 2.136,428 0.983,429 2.168,430 1,431 3.247,432 1.808,433 0.82,434 1,436 1.924,437 0.809,438 2,439 0.861,440 3.149,441 1.591,442 0.612,443 0.964,445 1.314,446 0.597,447 1.729,448 0.57,449 2.833,450 1.33,451 0.368,452 0.536,454 0.633,455 0.353,456 1.228,457 0.298,458 2.743,459 1.029,460 0.056,461 0.064,463 0.136,464 0.054,465 0.882,466 -0.012,467 2.302,468 0.539,469 -0.451,470 -0.527,472 -1.055,473 -0.446,474 12.533,475 0.482,476 0.444,477 0.017,478 33.25,479 1.279,480 17,481 0.654,482 16.25,483 0.625,484 21.592,485 0.83,486 27.067,487 0.552,488 20.505,489 0.789,490 6.171,491 0.237,492 6.643,493 0.255,494 0.032,496 0.271,501 0.615,502 1.148,503 0.811,504 1.04,505 0.409,506 0.963,507 0.932,508 1.11,509 0.972,510 1.06,511 0.443,512 1.021,513 0.85,514 1.113,515 1.022,516 1.113,517 0.514,518 1.088,519 1.061,520 1.004,521 1.016,522 1.004,523 0.796,524 1.005,525 0.917,526 0.844,527 0.893,528 0.845,529 0.648,530 0.864,531 0.826,532 0.951,533 0.996,534 1.007,535 0.623,536 1.014,537 1.078,538 0.938,539 1.081,540 1.052,541 0.69,542 1.074,543 0.97,544 0.997,545 1.066,546 1.051,547 0.985,548 1.076,549 4.5,550 0.07,551 2.222,552 1.167,553 1.027,554 0.504,555 0.427,556 0.229,557 0.133,558 0.133,559 9690,560 22677,561 2.172,562 46.9,563 3,564 14,568 2,569 4,572 1.682,573 2.108,574 3.639,575 -0.836,582 68.216,583 1.392,584 3.301,585 4.344,586 4.865,587 4.921,588 4.921,589 3.142,590 4.133,591 4.67,592 3.803,593 1236.05,594 8.046,595 16285.1,597 1,600 275.121,601 1.058,602 4.663,603 0.155,604 0.004,605 0.057,606 0.032,607 0.034,608 0.018,609 0.016,610 0.01,611 0.007,612 0.008,613 0.341,614 0.33,615 1,616 0.542,617 130.712,618 0.226,619 -0.041,620 0.077,621 -0.005,622 0.195,623 0.015,624 -0.055,625 -0.043,626 -0.045,627 -0.06,628 0.045,629 -0.049,630 -0.024,631 -0.129,632 -0.065,633 -0.12,634 0.08,635 -0.1,636 -0.049,637 -0.061,638 -0.015,639 -0.037,640 0.024,641 -0.024,642 0.059,643 0.087,644 0.114,645 0.126,646 0.113,647 0.125,648 0.013,649 0.016,650 -0.02,651 -0.027,652 0.044,653 -0.026,654 -0.043,655 -0.013,656 -0.092,657 -0.06,658 -0.078,659 -0.081,660 0.035,661 -0.082,662 -0.074,663 -0.061,664 -0.119,665 -0.081,666 1.05,667 2.976,668 0.808,669 27.491,670 0.989,671 1.12,672 3.289,673 10.815,674 0.675,675 3.401,676 3.689,677 3.951,678 4.19,679 4.394,680 4.407,681 4.522,682 4.605,683 4.595,684 4.682,685 7.384,686 0.634,687 345.48,688 3.401,689 4.92,690 5.759,691 6.616,692 7.469,693 8.332,694 9.191,695 10.058,696 10.921,697 11.789,698 6.1,701 1,707 1,708 1,714 2,715 8,716 1,718 1,720 3,722 16,724 1,741 49,743 17,744 2,745 29,747 52,748 22,749 13,750 4,751 8,756 4,757 5,767 2,768 1,770 4,771 1,772 13,773 8,774 1,790 1,793 23,794 4,796 4,801 1,802 3,808 0.75,809 1,828 1,829 3,832 1,855 1,859 3,868 26,876 7,880 1,881 1,885 1,889 1,891 1,893 2,898 1,901 12.333,902 8.767,903 5.806,904 3.218,907 3.091,908 1.411,909 0.992,910 5.11,911 10.612,912 3.689,913 4.23,914 4.823,915 5.384,916 5.874,917 6.131,918 6.524,919 6.769,920 6.629,921 6.778,922 0.889,923 37,924 9.599,926 4.047,927 0.026,929 7.545,931 18.971,933 16.023,936 2.045,937 53.167,939 1,940 1,941 270.735,942 125.404,943 53.78,945 9.734,948 125.404,949 280.469,950 53.78,952 16.455,953 75.81,954 36.198,955 55.619,956 4.836,957 270.735,959 270.735,960 179.184,961 9.734,964 223.651,965 56.819,968 53.396,969 106.192,970 19.597,972 270.735,973 63.514,974 125.404,977 270.735,978 32.992,979 78.934,980 16.602,981 60.39,982 270.735,983 63.514,984 125.404,986 0.569,987 0.332,988 0.178,989 0.098,990 19,991 7,992 0.096,993 5,994 1,995 1.095,996 4.052,997 210.178,998 0.095,999 21,1000 114.211,1005 16.972,1006 7.828,1007 4.042,1008 1.766,1009 63.514,1010 16.29,1011 4.231,1013 5.406,1015 3.041,1018 459.654,1019 39,1031 48.469,1032 54.856,1034 0.248,1035 0.588,1036 0.774,1037 0.866,1038 0.876,1039 0.876,1040 4.913,1041 1.411,1042 5.707,1043 3.765,1044 4.369,1045 4.916,1046 2.378,1047 6.46,1048 4.337,1049 6.091,1050 1,1051 7.222,1052 3.042,1053 3.761,1054 4.543,1055 0.325,1056 7.222,1057 3.708,1058 7.373,1059 1,1060 8.832,1061 2.275,1062 5.905,1063 7.089,1064 3.59,1065 10.294,1066 5.842,1067 8.688,1068 0.82,1069 10.502,1070 2.136,1071 6.155,1072 7.665,1073 0.393,1074 11.931,1075 6.075,1076 10.039,1077 0.612,1078 12.21,1079 1.924,1080 7.706,1081 9.611,1082 4.967,1083 14.496,1084 7.616,1085 11.416,1086 0.368,1087 13.947,1088 1.314,1089 8.373,1090 10.659,1091 0.384,1092 16.52,1093 8.271,1094 12.814,1095 0.056,1096 15.706,1097 0.633,1098 9.666,1099 12.35,1100 6.379,1101 18.921,1102 9.555,1103 3.089,1104 -0.451,1105 17.482,1106 0.136,1107 10.549,1108 13.636,1109 0.351,1110 21.12,1111 10.428,1112 2.725,1113 10.329,1114 19.273,1115 -1.055,1116 11.728,1117 15.216,1118 7.797,1119 23.469,1120 11.598,1121 2.485,1122 7.79,1123 21.076,1124 4.506,1125 12.723,1126 16.617,1127 0.312,1128 25.744,1129 12.585,1130 2.382,1131 7.097,1132 22.89,1133 3.457,1134 13.855,1135 18.15,1136 9.217,1137 28.08,1138 13.71,1139 2.082,1140 6.883,1141 24.713,1142 3.309,1143 14.907,1144 19.607,1145 0.273,1146 30.387,1147 14.755,1148 1.796,1149 5.885,1150 26.544,1151 2.649,1152 16.023,1153 21.121,1154 10.638,1155 32.72,1156 15.864,1157 1.44,1158 5.415,1159 28.383,1160 2.512,1161 17.106,1162 22.603,1163 0.236,1164 35.042,1165 16.94,1166 9021,1167 13978,1168 20.167,1169 33.086,1170 44.005,1171 45.244,1172 43.251,1173 42.525,1174 42.531,1175 55.655,1176 6.247,1177 117.245,1178 41.816,1179 5.552,1180 6.058,1181 6.342,1182 5.116,1183 5.089,1184 7.506,1185 4.069,1186 17.072,1187 5.063,1188 7.041,1189 1.517,1190 1.56,1191 1.491,1192 1.466,1193 1.467,1194 1.919,1195 0.215,1196 4.043,1197 1.442,1198 4.102,1199 4.119,1200 4.071,1201 3.999,1202 6.82,1203 4.011,1204 3.948,1205 3.992,1206 3.863,1207 3.865,1208 5.253,1209 3.859,1210 3.817,1211 3.864,1212 3.702,1213 3.716,1214 4.756,1215 3.705,1216 3.523,1217 3.576,1218 3.461,1219 3.383,1220 4.384,1221 3.392,1222 3.324,1223 3.382,1224 3.211,1225 3.139,1226 4.32,1227 3.149,1228 3.111,1229 3.206,1230 2.935,1231 2.941,1232 3.958,1233 2.927,1234 3.09,1235 3.162,1236 2.906,1237 2.936,1238 3.758,1239 2.91,1240 2.992,1241 3.041,1242 2.866,1243 2.806,1244 3.674,1245 2.818,1246 0.157,1247 0.14,1248 0.226,1249 0.141,1250 0.107,1251 4.552,1252 0.155,1253 4.058,1254 0.07,1255 6.54,1256 0.356,1257 4.081,1258 0.106,1259 3.089,1260 4.506,1261 2.035,1262 10.329,1263 3.063,1264 1.954,1265 1.932,1266 2.106,1267 2.071,1268 1.487,1269 2.086,1270 1.925,1271 1.893,1272 2.03,1273 2.008,1274 1.202,1275 2.013,1276 1.831,1277 1.784,1278 1.989,1279 1.946,1280 1.134,1281 1.965,1282 1.512,1283 1.455,1284 1.73,1285 1.717,1286 0.971,1287 1.718,1288 1.232,1289 1.173,1290 1.513,1291 1.45,1292 0.825,1293 1.446,1294 1.153,1295 1.064,1296 1.464,1297 1.376,1298 0.69,1299 1.429,1300 1.077,1301 1.041,1302 1.261,1303 1.322,1304 0.444,1305 1.264,1306 0.998,1307 0.954,1308 1.181,1309 1.242,1310 0.231,1311 1.243,1312 4.078,1314 5.371,1315 2.398,1316 6.86,1317 4.727,1318 8.432,1319 6.823,1320 10.047,1328 8.003,1332 0.757,1333 2.556,1338 8.976,1339 2.141,1340 31.047,1341 68.216,1342 161.763,1343 212.856,1344 238.366,1345 241.121,1346 241.121,1347 35.668,1348 7.521,1349 53.06,1350 53.06,1351 23,1352 12.335,1353 4.17,1354 3.459,1355 38.449,1356 117,1357 106,1358 0.16,1359 190.261,1360 325.05,1361 455.997,1362 20952,1364 17.769,1365 0.683,1366 0.573,1367 17.769,1368 14.896,1369 12.814,1370 0.442,1371 0.323,1372 9.284,1373 12.478,1374 9.086,1375 7.517,1376 12.814,1377 9.363,1378 11.053,1379 0.283,1380 0.185,1381 11.053,1382 7.196,1383 9.544,1384 0.187,1385 0.106,1386 9.544,1387 5.421,1388 7.808,1389 0.12,1390 0.059,1391 7.808,1392 3.855,1393 6.347,1394 0.079,1395 0.036,1396 6.347,1397 2.846,1398 0.26,1399 79.212,1400 0.223,1401 25.841,1402 0.411,1403 136,1404 338.671,1405 144.039,1406 336.833,1407 465.83,1408 316,1409 158,1410 350.544,1411 167.482,1412 356.221,1413 511.51,1414 335,1415 6.996}
{0 CHEMBL92955,1 1.552,2 16.088,3 5.638,4 31.79,5 136.546,6 7.55,7 0.579,8 4.239,9 4.343,10 3.953,11 3.849,12 5.242,13 3.793,14 4.803,15 4.959,16 4.238,17 4.255,18 5.941,19 4.178,20 5.1,21 5.314,22 4.266,23 4.398,24 6.044,25 4.272,26 5.194,27 5.439,28 4.177,29 4.348,30 6.15,31 4.204,32 5.103,33 5.353,34 4.082,35 4.246,36 6.065,37 4.124,38 4.98,39 5.204,40 4.051,41 4.222,42 5.968,43 4.102,44 4.959,45 5.193,46 3.956,47 4.175,48 5.899,49 4.048,50 4.858,51 5.103,52 3.78,53 4.047,54 5.678,55 3.897,56 0.134,57 0.91,58 16.045,59 6.416,60 17.598,61 7.963,62 0.311,63 1.524,64 26.641,65 10.881,66 54.136,67 13.96,68 0.242,69 1.956,70 39.727,71 15.26,72 46.779,73 19.682,74 0.452,75 2.056,76 47.452,77 16.542,78 71.725,79 21.304,80 0.513,81 1.831,82 42.757,83 14.657,84 74.672,85 19.008,86 0.505,87 1.663,88 34.14,89 12.712,90 64.362,91 17.131,92 0.37,93 1.615,94 32.684,95 12.682,96 49.887,97 17.205,98 0.304,99 1.447,100 32.059,101 12.03,102 36.262,103 15.96,104 5,105 53,106 0.246,107 0.535,108 0.692,109 0.801,110 0.83,111 0.835,112 3.56,113 1.048,114 -4.78,115 -4.7,116 -4.41,121 42.9,123 4,124 1,127 3,144 13,145 2,146 2,148 1,154 1,168 1,176 16,179 1,180 7,183 2,185 2,187 18,192 12,197 3,200 10,206 15,209 1,211 3,214 6,219 9,222 1,224 1,227 14,231 2,232 4,237 1,239 17,243 3,244 3,249 1,251 17,255 1,256 7,261 1,264 8,269 8,274 2,277 7,281 2250,282 23.264,283 23.264,284 23.264,285 23.264,286 23.264,287 20.37,288 19.902,289 13.889,290 23.578,291 18.82,292 18.82,293 18.82,294 18.82,295 18.82,296 14.51,297 18.513,298 6.67,299 19.347,300 4.425,301 2.596,302 1.605,303 0.913,304 0.73,305 0.698,306 4.27,312 1,313 1208,314 3.742,317 86.023,318 468.183,321 154.406,325 2.74,326 31.617,329 1,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.88,337 72.5,338 547,339 4.856,340 4.685,341 7.308,342 4.312,343 3.392,344 4.707,345 0.916,346 12.507,347 3.114,348 4.542,349 3.161,350 6.54,351 4.069,352 3.08,353 4.494,354 0.172,355 10.326,356 3.023,357 3.941,358 3.017,359 5.617,360 3.689,361 2.725,362 3.457,364 7.79,365 2.633,366 3.739,367 2.594,368 5.455,369 3.477,370 2.48,371 3.193,373 7.157,374 2.473,375 3.601,376 2.518,377 5.329,378 3.32,379 2.348,380 3.007,382 6.916,383 2.276,384 3.523,385 2.239,386 5.043,387 3.048,388 2.086,389 2.641,391 5.902,392 2.014,393 3.229,394 2.029,395 4.942,396 2.981,397 1.99,398 2.476,400 5.61,401 1.954,402 3.126,403 1.89,404 4.727,405 2.749,406 1.762,407 2.234,409 5.014,410 1.737,411 2.869,412 1.518,413 4.207,414 2.429,415 1.435,416 2.019,418 3.764,419 1.425,420 2.812,421 1.462,422 3.634,423 2.394,424 1.406,425 1.907,427 3.042,428 1.387,429 2.692,430 1.29,431 3.594,432 2.175,433 1.183,434 1.759,436 2.746,437 1.17,438 2.5,439 1.077,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.5,448 1,449 3.316,450 2,451 1,452 1.5,454 2.136,455 1,456 2.175,457 1,458 3.247,459 1.984,460 1,461 1.056,463 2.136,464 0.983,465 2,466 0.861,467 3.247,468 1.807,469 0.82,470 1,472 1.924,473 0.809,474 16.533,475 0.486,476 0.778,477 0.023,478 44.75,479 1.316,480 23.5,481 0.691,482 21.25,483 0.625,484 29.494,485 0.867,486 36.267,487 0.576,488 33.094,489 0.973,490 8.392,491 0.247,492 8.174,493 0.24,494 0.04,495 0.05,496 0.236,501 0.502,502 1.212,503 0.824,504 1.156,505 0.616,506 0.957,507 0.685,508 1.154,509 0.92,510 1.047,511 0.51,512 1.032,513 0.886,514 1.148,515 1.014,516 1.096,517 0.756,518 1.075,519 1.088,520 1.039,521 1.069,522 1.041,523 0.978,524 0.998,525 1.263,526 0.845,527 0.917,528 0.844,529 1.303,530 0.855,531 0.864,532 0.951,533 0.853,534 0.909,535 0.888,536 0.997,537 0.811,538 0.948,539 0.811,540 0.926,541 0.549,542 1.026,543 0.869,544 1.028,545 0.955,546 1.008,547 0.481,548 1.033,549 7,550 0.128,551 3.556,552 2.104,553 1.516,554 0.858,555 0.641,556 0.484,557 0.273,558 0.198,559 20883,560 50669,561 2.156,562 46,563 3,564 19,567 1,568 2,569 4,572 1.752,573 2.071,574 3.922,575 -0.392,582 97.795,583 1.552,584 3.381,585 4.372,586 5.064,587 5.247,588 5.279,589 3.396,590 4.337,591 5.055,592 4.131,593 2317.55,594 8.822,595 38119.7,600 376.569,601 1.263,602 5.037,603 0.184,604 0.005,605 0.067,606 0.041,607 0.034,608 0.02,609 0.015,610 0.012,611 0.009,612 0.007,613 0.394,614 0.17,615 0.75,616 0.39,617 187.538,618 0.203,619 -0.059,620 0.206,621 -0.038,622 -0.078,623 0.033,624 0.19,625 -0.059,626 -0.004,627 -0.058,628 0.275,629 -0.072,630 -0.038,631 -0.131,632 -0.025,633 -0.092,634 0.04,635 -0.088,636 -0.028,637 -0.058,638 -0.011,639 -0.042,640 0.059,641 -0.015,642 -0.081,643 0.105,644 0.061,645 0.099,646 -0.057,647 0.116,648 0.123,649 0.02,650 0.008,651 0.003,652 0.019,653 -0.027,654 0.085,655 0.006,656 0.005,657 -0.038,658 0.074,659 -0.051,660 0.014,661 -0.088,662 -0.021,663 -0.049,664 0.004,665 -0.035,666 4.557,667 5.585,668 0.794,669 47.962,670 0.998,671 1.118,672 3.555,673 12.637,674 0.681,675 3.664,676 3.989,677 4.234,678 4.477,679 4.673,680 4.691,681 4.86,682 5.011,683 5.075,684 5.17,685 9.18,686 0.639,687 475.66,688 3.664,689 5.209,690 6.052,691 6.927,692 7.783,693 8.661,694 9.524,695 10.404,696 11.271,697 12.154,698 4.8,701 1,703 1,708 1,714 2,715 13,716 1,718 1,720 4,722 22,741 63,743 24,744 3,745 38,747 67,748 27,749 19,750 5,751 13,756 5,757 6,767 2,768 1,770 4,772 19,773 8,774 1,777 2,780 1,782 2,793 29,794 6,795 1,796 7,797 1,801 1,802 3,808 0.8,809 3,828 1,829 4,832 1,855 1,859 4,862 1,868 34,872 1,876 7,877 1,880 1,881 1,893 4.8,896 2,898 1,901 16.417,902 10.983,903 7.347,904 3.918,907 3.825,908 1.458,909 1.015,910 6.889,911 12.173,912 3.951,913 4.567,914 5.095,915 5.658,916 6.133,917 6.327,918 6.749,919 7.106,920 7.227,921 7.503,922 0.909,923 51,924 12.847,926 5.758,927 0.026,929 7.669,931 24.673,933 21.119,936 2.169,937 73.75,941 329.591,942 163.113,943 39.126,945 54.047,947 5.807,948 157.305,949 383.638,950 39.126,952 16.455,953 128.999,954 80.315,955 25.681,956 4.836,957 329.591,959 329.591,960 196.431,961 54.047,962 5.807,964 282.506,965 101.131,968 22.336,969 138.093,970 41.809,972 329.591,973 93.173,974 163.113,976 5.807,977 329.591,978 34.114,979 126.316,980 16.405,981 73.644,982 329.591,983 93.173,984 163.113,986 0.581,987 0.332,988 0.177,989 0.094,990 26,991 10,992 0.119,993 8,994 1,995 1.074,996 4.738,997 309.368,998 0.074,999 27,1000 158.974,1004 1,1005 22.949,1006 10.207,1007 5.649,1008 1.546,1009 93.173,1010 24.353,1011 4.284,1013 5.54,1015 3.007,1017 16.405,1018 585.877,1019 51,1022 -3.641,1024 25.17,1031 62.851,1032 70.441,1034 0.26,1035 0.566,1036 0.731,1037 0.847,1038 0.878,1039 0.883,1040 5.185,1041 1.762,1042 6.043,1043 5.61,1044 4.673,1045 5.255,1046 0.918,1047 6.855,1048 4.616,1049 6.397,1050 1.435,1051 7.602,1052 5.014,1053 4.29,1054 5.19,1055 0.325,1056 7.953,1057 4.143,1058 7.725,1059 1.406,1060 9.276,1061 3.764,1062 6.304,1063 7.538,1064 0.671,1065 10.99,1066 6.161,1067 9.096,1068 1.183,1069 11.025,1070 3.042,1071 6.781,1072 8.366,1073 0.393,1074 12.983,1075 6.524,1076 10.509,1077 1,1078 12.826,1079 2.746,1080 8.267,1081 10.204,1082 0.533,1083 15.612,1084 8.005,1085 11.953,1086 1,1087 14.666,1088 2.275,1089 9.136,1090 11.429,1091 0.384,1092 17.937,1093 8.76,1094 13.422,1095 1,1096 16.535,1097 2.136,1098 10.424,1099 13.078,1100 0.438,1101 20.468,1102 10.02,1103 3.392,1104 0.82,1105 18.426,1106 2.136,1107 11.474,1108 14.478,1109 0.351,1110 22.911,1111 10.965,1112 3.08,1113 12.507,1114 20.336,1115 1.924,1116 12.692,1117 16.055,1118 0.366,1119 25.422,1120 12.134,1121 2.725,1122 10.326,1123 22.259,1124 4.707,1125 13.823,1126 17.53,1127 0.312,1128 27.909,1129 13.169,1130 2.48,1131 7.79,1132 24.194,1133 4.494,1134 15.021,1135 19.079,1136 0.309,1137 30.419,1138 14.303,1139 2.348,1140 7.157,1141 26.139,1142 3.457,1143 16.19,1144 20.587,1145 0.273,1146 32.923,1147 15.381,1148 2.086,1149 6.916,1150 28.09,1151 3.193,1152 17.385,1153 22.126,1154 0.262,1155 35.437,1156 16.503,1157 1.99,1158 5.902,1159 30.047,1160 3.007,1161 18.572,1162 23.649,1163 0.236,1164 37.95,1165 17.603,1166 19219,1167 30294,1168 26.118,1169 42.926,1170 56.761,1171 57.237,1172 56.87,1173 56.748,1174 56.649,1175 75.389,1176 2.178,1177 161.505,1178 55.214,1179 5.856,1180 6.685,1181 7.11,1182 5.363,1183 5.392,1184 7.707,1185 1.605,1186 19.853,1187 5.114,1188 11.098,1189 1.494,1190 1.506,1191 1.497,1192 1.493,1193 1.491,1194 1.984,1195 0.057,1196 4.25,1197 1.453,1198 4.141,1199 4.146,1200 4.737,1201 4.089,1202 7.717,1203 4.04,1204 4.009,1205 4.002,1206 4.052,1207 3.946,1208 6.999,1209 3.917,1210 3.948,1211 3.99,1212 3.864,1213 3.864,1214 5.258,1215 3.859,1216 3.816,1217 3.863,1218 3.702,1219 3.715,1220 4.759,1221 3.704,1222 3.632,1223 3.641,1224 3.671,1225 3.542,1226 4.714,1227 3.481,1228 3.446,1229 3.494,1230 3.355,1231 3.311,1232 4.469,1233 3.293,1234 3.245,1235 3.29,1236 3.158,1237 3.074,1238 4.32,1239 3.075,1240 3.111,1241 3.206,1242 2.916,1243 2.941,1244 3.97,1245 2.91,1246 0.128,1247 0.123,1248 0.192,1249 0.113,1250 0.089,1251 4.856,1252 0.124,1253 4.685,1254 0.024,1255 7.308,1256 0.329,1257 4.312,1258 0.082,1259 3.392,1260 4.707,1261 0.916,1262 12.507,1263 3.114,1264 1.985,1265 1.987,1266 2.106,1267 2.075,1268 1.487,1269 2.095,1270 1.936,1271 1.903,1272 2.029,1273 2.052,1274 1.215,1275 2.076,1276 1.901,1277 1.882,1278 2.001,1279 1.972,1280 1.163,1281 1.992,1282 1.827,1283 1.781,1284 1.975,1285 1.94,1286 1.119,1287 1.957,1288 1.52,1289 1.494,1290 1.728,1291 1.72,1292 0.974,1293 1.726,1294 1.403,1295 1.404,1296 1.513,1297 1.57,1298 0.825,1299 1.607,1300 1.208,1301 1.149,1302 1.463,1303 1.449,1304 0.696,1305 1.44,1306 1.153,1307 1.064,1308 1.265,1309 1.376,1310 0.583,1311 1.429,1312 4.344,1314 5.666,1315 2.398,1316 7.18,1317 4.727,1318 8.774,1319 6.823,1320 10.409,1328 7.641,1329 2.621,1332 0.69,1333 2.537,1340 40.244,1341 97.795,1342 212.999,1343 275.443,1344 319.059,1345 330.569,1346 332.569,1347 62.045,1348 8.348,1349 75.44,1350 83.82,1351 29,1352 12.691,1353 4.644,1354 3.807,1355 50.49,1356 188,1357 186,1358 0.128,1359 247.025,1360 421.74,1361 594.502,1362 61081,1364 23.382,1365 0.688,1366 0.585,1367 23.632,1368 19.877,1369 16.566,1370 0.436,1371 0.349,1372 11.808,1373 15.337,1374 11.444,1375 9.468,1376 17.387,1377 13.275,1378 15.172,1379 0.286,1380 0.202,1381 16.472,1382 10.685,1383 12.492,1384 0.184,1385 0.118,1386 13.596,1387 7.995,1388 10.418,1389 0.12,1390 0.066,1391 11.459,1392 5.733,1393 8.321,1394 0.079,1395 0.039,1396 9.169,1397 4.125,1398 0.21,1399 110.96,1400 0.196,1401 32.461,1402 0.326,1403 182,1404 487.69,1405 232.254,1406 496.373,1407 682.08,1408 460,1409 212,1410 486.239,1411 271.878,1412 527.579,1413 763.79,1414 495,1415 7.852}
{0 CHEMBL92958,1 1.266,2 11.667,3 4.668,4 21.791,5 100.179,6 6.52,7 0.593,8 3.967,9 4.105,10 3.444,11 3.552,12 4.899,13 3.493,14 4.54,15 4.735,16 3.76,17 3.971,18 5.368,19 3.877,20 4.84,21 5.091,22 3.734,23 4.105,24 5.551,25 3.953,26 4.926,27 5.22,28 3.558,29 4.044,30 5.56,31 3.851,32 4.818,33 5.124,34 3.445,35 3.933,36 5.424,37 3.74,38 4.685,39 4.961,40 3.438,41 3.885,42 5.351,43 3.709,44 4.674,45 4.961,46 3.338,47 3.83,48 5.337,49 3.638,50 4.525,51 4.822,52 3.147,53 3.652,54 5.184,55 3.451,56 0.084,57 0.716,58 11.521,59 4.765,60 9.061,61 6.812,62 0.135,63 1.203,64 20.911,65 8.014,66 14.501,67 11.787,68 0.176,69 1.502,70 28.477,71 11.08,72 19.546,73 16.322,74 0.222,75 1.555,76 31.451,77 11.66,78 22.279,79 17.453,80 0.198,81 1.37,82 28.214,83 10.634,84 19.601,85 15.847,86 0.162,87 1.239,88 24.484,89 9.451,90 16.707,91 13.965,92 0.189,93 1.21,94 24.306,95 9.355,96 18.463,97 13.805,98 0.16,99 1.027,100 20.933,101 8.121,102 16.929,103 11.974,105 36,106 0.214,107 0.528,108 0.696,109 0.8,110 0.833,111 0.833,112 3.227,113 1.007,114 -4.92,115 -4.82,116 -4.52,121 42.9,123 4,124 1,127 3,144 9,145 2,148 1,154 1,172 1,176 14,180 5,185 2,187 15,192 6,197 3,200 9,206 5,211 3,214 6,219 3,224 2,227 11,232 2,239 12,244 1,247 1,251 12,255 1,256 1,264 7,269 2,274 1,277 4,281 806,282 16.861,283 16.861,284 16.861,285 16.861,286 16.861,287 14.953,288 13.865,289 10.268,290 17.039,291 13.381,292 13.381,293 13.381,294 13.381,295 13.381,296 10.634,297 14.699,298 4.933,299 13.661,300 4.349,301 2.498,302 1.503,303 0.89,304 0.694,305 0.694,306 3.935,311 1,312 1,313 626,314 2.449,317 55.262,318 229.149,321 103.405,325 1.972,326 7.947,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 49.5,338 280,339 4.524,340 3.139,341 6.526,342 4.044,343 3.063,344 4.473,345 0.916,346 10.265,347 3.004,348 3.941,349 3.016,350 5.617,351 3.688,352 2.724,353 3.457,354 0.172,355 7.789,356 2.632,357 3.615,358 2.565,359 5.344,360 3.47,361 2.472,362 2.785,364 6.973,365 2.467,366 3.407,367 2.292,368 5.116,369 3.079,370 2.118,371 2.615,373 6.035,374 2.029,375 3.152,376 2.089,377 4.944,378 2.923,379 1.953,380 2.318,382 5.771,383 1.887,384 3.046,385 1.546,386 4.185,387 2.528,388 1.546,389 2.229,391 3.763,392 1.516,393 2.823,394 1.517,395 3.602,396 2.417,397 1.422,398 1.925,400 3.044,401 1.414,402 2.648,403 1.252,404 3.586,405 2.197,406 1.204,407 1.713,409 2.814,410 1.195,411 2.5,412 1.077,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.155,421 1,422 3.286,423 1.984,424 1,425 1.042,427 2.136,428 0.983,429 2,430 0.856,431 3.247,432 1.806,433 0.819,434 1,436 1.896,437 0.807,438 1.702,439 0.51,440 3.018,441 1.447,442 0.462,443 0.568,445 1.09,446 0.454,447 1.219,448 0.243,449 2.77,450 1.03,451 0.057,452 0.064,454 0.143,455 0.055,456 0.779,457 -0.289,458 2.243,459 0.525,460 -0.464,461 -0.532,463 -1.099,464 -0.458,465 0.66,466 -0.657,467 2,468 0.216,469 -0.774,470 -0.965,472 -1.812,473 -0.764,474 11.7,475 0.488,476 0.376,477 0.016,478 28.75,479 1.198,480 14,481 0.583,482 14.75,483 0.615,484 20.608,485 0.859,486 25.5,487 0.52,488 16.529,489 0.689,490 5.378,491 0.224,492 6.504,493 0.271,496 0.248,501 0.835,502 1.163,503 0.915,504 1.05,505 0.745,506 0.999,507 1.281,508 1.189,509 1.071,510 1.081,511 0.901,512 1.065,513 1.019,514 1.147,515 1.075,516 1.121,517 0.79,518 1.106,519 1.117,520 1.014,521 1.036,522 1.008,523 0.93,524 1.015,525 1.013,526 0.847,527 0.925,528 0.869,529 0.94,530 0.887,531 1.028,532 0.987,533 1.036,534 1.014,535 1.071,536 1.024,537 0.959,538 0.933,539 1.044,540 1.01,541 1.188,542 1.029,543 0.816,544 0.94,545 0.99,546 1.004,547 1.097,548 1.009,549 3.5,550 0.062,551 2,552 0.979,553 0.716,554 0.306,555 0.331,556 0.205,557 0.083,558 0.093,559 7924,560 15540,561 2.213,562 51,563 3,564 15,567 1,568 2,569 4,572 1.66,573 2.182,574 3.5,575 -0.424,582 62.031,583 1.266,584 3.116,585 4.112,586 4.725,587 4.921,588 4.921,589 2.924,590 4.168,591 4.558,592 3.673,593 1013.63,594 7.817,595 12529.9,597 1,600 275.121,601 0.811,602 4.56,603 0.13,604 0.005,605 0.056,606 0.03,607 0.028,608 0.013,609 0.014,610 0.01,611 0.005,612 0.007,613 0.295,614 0.5,615 1,617 117.023,618 0.221,619 0.018,620 0.077,621 0.018,622 0.219,623 0.033,624 -0.105,625 -0.074,626 -0.075,627 -0.068,628 0.021,629 -0.069,630 -0.051,631 -0.142,632 -0.097,633 -0.129,634 0.054,635 -0.118,636 -0.066,637 -0.062,638 -0.053,639 -0.055,640 -0.017,641 -0.053,642 -0.042,643 0.082,644 0.053,645 0.087,646 -0.059,647 0.079,648 -0.08,649 -0.019,650 -0.06,651 -0.036,652 -0.166,653 -0.045,654 0.004,655 0.021,656 -0.068,657 -0.041,658 -0.167,659 -0.057,660 0.087,661 -0.009,662 -0.018,663 -0.037,664 -0.104,665 -0.035,666 0.579,667 1.408,668 0.875,669 22.75,670 0.98,671 1.124,672 3.687,673 13.595,674 0.661,675 3.332,676 3.611,677 3.871,678 4.111,679 4.29,680 4.234,681 4.344,682 4.466,683 4.443,684 4.533,685 6.862,686 0.609,687 319.49,688 3.332,689 4.844,690 5.68,691 6.532,692 7.381,693 8.238,694 9.091,695 9.951,696 10.807,697 11.668,698 6.1,701 1,706 1,708 1,714 2,715 9,716 1,717 1,720 2,722 16,741 49,743 16,744 2,745 27,747 52,748 21,749 13,750 3,751 9,756 4,757 5,767 2,768 1,770 4,772 13,773 8,774 1,790 1,793 25,794 2,795 1,796 3,802 3,808 0.75,820 1,828 1,829 3,832 1,855 1,859 3,868 24,876 7,880 1,881 1,901 11,902 8.483,903 5.306,904 3.199,907 2.869,908 1.393,909 1.013,910 4.727,911 10.176,912 3.584,913 4.139,914 4.708,915 5.269,916 5.703,917 5.794,918 6.111,919 6.416,920 6.117,921 6.287,922 0.875,923 33,924 8.897,926 3.735,927 0.026,929 7.333,931 17.961,933 15.311,936 1.833,937 44,938 0.001,940 1,941 282.506,942 112.401,943 36.45,948 112.401,949 282.506,950 36.45,952 16.455,953 85.286,954 16.663,955 27.69,956 2.757,957 282.506,959 282.506,960 148.851,964 235.422,965 47.084,968 38.387,969 93.802,970 16.663,972 282.506,973 36.45,974 112.401,977 282.506,978 27.115,979 88.411,980 16.663,981 16.663,982 282.506,983 36.45,984 112.401,986 0.568,987 0.328,988 0.18,989 0.096,990 18,991 6,992 0.096,993 5,994 1,995 1.095,996 3.909,997 188.507,998 0.095,999 21,1000 102.039,1005 15.56,1006 7.292,1007 3.769,1008 2.379,1009 19.787,1010 19.236,1011 4.408,1012 3.234,1015 2.734,1017 16.663,1018 431.358,1019 35,1031 48.025,1032 55.062,1034 0.225,1035 0.555,1036 0.732,1037 0.841,1038 0.876,1039 0.876,1040 4.787,1041 1.204,1042 5.617,1043 3.044,1044 4.29,1045 4.824,1046 0.918,1047 6.358,1048 4.249,1049 5.943,1050 1,1051 7.12,1052 2.814,1053 3.611,1054 4.388,1055 0.325,1056 7.096,1057 3.531,1058 7.211,1059 1,1060 8.724,1061 2.275,1062 5.808,1063 6.977,1064 0.671,1065 10.187,1066 5.723,1067 8.516,1068 0.819,1069 10.39,1070 2.136,1071 6.019,1072 7.52,1073 0.393,1074 11.84,1075 5.897,1076 9.862,1077 0.462,1078 12.099,1079 1.896,1080 7.603,1081 9.5,1082 0.533,1083 14.406,1084 7.476,1085 11.236,1086 0.057,1087 13.84,1088 1.09,1089 8.252,1090 10.537,1091 0.384,1092 16.446,1093 8.093,1094 12.634,1095 -0.464,1096 15.604,1097 0.143,1098 9.563,1099 12.245,1100 0.438,1101 18.843,1102 9.394,1103 3.063,1104 -0.774,1105 17.386,1106 -1.099,1107 10.437,1108 13.528,1109 0.351,1110 21.049,1111 10.241,1112 2.724,1113 10.265,1114 19.183,1115 -1.812,1116 11.624,1117 15.115,1118 0.366,1119 23.394,1120 11.414,1121 2.472,1122 7.789,1123 20.993,1124 4.473,1125 12.613,1126 16.513,1127 0.312,1128 25.67,1129 12.378,1130 2.118,1131 6.973,1132 22.812,1133 3.457,1134 13.746,1135 18.047,1136 0.309,1137 28,1138 13.495,1139 1.953,1140 6.035,1141 24.641,1142 2.785,1143 14.793,1144 19.499,1145 0.273,1146 30.305,1147 14.519,1148 1.546,1149 5.771,1150 26.476,1151 2.615,1152 15.905,1153 21.011,1154 0.262,1155 32.632,1156 15.615,1157 1.422,1158 3.763,1159 28.318,1160 2.318,1161 16.981,1162 22.487,1163 0.236,1164 34.949,1165 16.67,1166 7277,1167 10283,1168 19.068,1169 32.393,1170 39.913,1171 39.741,1172 39.975,1173 39.706,1174 39.682,1175 51.379,1176 2.178,1177 107.99,1178 38.887,1179 5.524,1180 5.139,1181 6.328,1182 5.079,1183 5.063,1184 7.473,1185 1.605,1186 16.922,1187 5.004,1189 1.478,1190 1.472,1191 1.481,1192 1.471,1193 1.47,1194 1.903,1195 0.081,1196 4,1197 1.44,1198 4.109,1199 4.152,1200 4.067,1201 4.007,1202 5.077,1203 4.015,1204 3.948,1205 3.994,1206 3.863,1207 3.865,1208 4.755,1209 3.859,1210 3.815,1211 3.863,1212 3.699,1213 3.713,1214 4.401,1215 3.702,1216 3.493,1217 3.56,1218 3.371,1219 3.346,1220 4.315,1221 3.343,1222 3.295,1223 3.377,1224 3.167,1225 3.105,1226 3.931,1227 3.109,1228 3.111,1229 3.206,1230 2.91,1231 2.941,1232 3.755,1233 2.91,1234 3.074,1235 3.158,1236 2.866,1237 2.907,1238 3.674,1239 2.899,1240 2.886,1241 2.951,1242 2.744,1243 2.769,1244 3.581,1245 2.756,1246 0.168,1247 0.116,1248 0.242,1249 0.15,1250 0.113,1251 4.524,1252 0.166,1253 3.139,1254 0.034,1255 6.526,1256 0.38,1257 4.044,1258 0.111,1259 3.063,1260 4.473,1261 0.916,1262 10.265,1263 3.004,1264 1.95,1265 1.919,1266 2.108,1267 2.072,1268 1.488,1269 2.087,1270 1.921,1271 1.89,1272 2.035,1273 1.998,1274 1.206,1275 2.012,1276 1.83,1277 1.782,1278 1.995,1279 1.945,1280 1.134,1281 1.964,1282 1.539,1283 1.47,1284 1.753,1285 1.778,1286 0.975,1287 1.766,1288 1.253,1289 1.178,1290 1.513,1291 1.513,1292 0.825,1293 1.509,1294 1.153,1295 1.064,1296 1.486,1297 1.376,1298 0.7,1299 1.429,1300 1.063,1301 0.983,1302 1.329,1303 1.304,1304 0.476,1305 1.331,1306 0.924,1307 0.871,1308 1.181,1309 1.087,1310 0.276,1311 1.115,1312 4.007,1314 5.293,1315 2.398,1316 6.777,1317 4.727,1318 8.343,1319 6.823,1320 9.949,1328 8.568,1332 0.846,1333 2.595,1340 29.859,1341 62.031,1342 152.704,1343 201.472,1344 231.511,1345 241.121,1346 241.121,1347 27.395,1348 7.308,1349 31.92,1350 31.92,1351 23,1352 12.219,1353 4.087,1354 3.17,1355 34.226,1356 100,1357 88,1358 0.165,1359 182.527,1360 304.24,1361 437.126,1362 16163,1364 16.192,1365 0.675,1366 0.588,1367 16.192,1368 14.118,1369 11.882,1370 0.44,1371 0.336,1372 9.003,1373 11.648,1374 8.806,1375 7.296,1376 11.882,1377 9.066,1378 10.25,1379 0.285,1380 0.193,1381 10.25,1382 6.963,1383 8.785,1384 0.187,1385 0.113,1386 8.785,1387 5.299,1388 7.316,1389 0.122,1390 0.064,1391 7.316,1392 3.828,1393 5.915,1394 0.082,1395 0.039,1396 5.915,1397 2.828,1398 0.268,1399 72.813,1400 0.229,1401 24.101,1402 0.427,1403 126,1404 257.623,1405 131.523,1406 261.06,1407 371.12,1408 248,1409 146,1410 282.564,1411 152.744,1412 290.693,1413 421.29,1414 275,1415 6.921}
{0 CHEMBL93123,1 1.402,2 16.03,3 5.463,4 29.843,5 131.188,6 7.09,7 0.595,8 4.214,9 4.332,10 3.754,11 3.803,12 5.252,13 3.763,14 4.762,15 4.931,16 4.086,17 4.21,18 5.727,19 4.141,20 5.065,21 5.291,22 4.097,23 4.34,24 5.947,25 4.226,26 5.146,27 5.408,28 3.99,29 4.279,30 6.007,31 4.142,32 5.045,33 5.309,34 3.925,35 4.194,36 5.909,37 4.069,38 4.94,39 5.174,40 3.922,41 4.191,42 5.841,43 4.07,44 4.938,45 5.178,46 3.865,47 4.153,48 5.809,49 4.023,50 4.846,51 5.097,52 3.702,53 4.019,54 5.651,55 3.877,56 0.095,57 0.861,58 13.248,59 5.908,60 10.618,61 7.922,62 0.175,63 1.453,64 24.343,65 10.015,66 21.097,67 13.769,68 0.234,69 1.864,70 35.111,71 13.73,72 36.103,73 19.219,74 0.398,75 1.941,76 40.037,77 14.57,78 51.257,79 20.638,80 0.39,81 1.737,82 36.5,83 13.289,84 50.396,85 18.574,86 0.354,87 1.605,88 31.559,89 12.17,90 44.067,91 16.989,92 0.324,93 1.58,94 31.731,95 12.337,96 40.404,97 17.12,98 0.296,99 1.413,100 29.346,101 11.274,102 31.862,103 15.719,104 2,105 50,106 0.223,107 0.533,108 0.693,109 0.805,110 0.834,111 0.84,112 3.531,113 0.953,114 -5.42,115 -5.3,116 -4.95,121 45.2,123 4,124 1,127 3,144 13,145 3,146 1,148 1,154 1,160 1,168 1,176 18,180 8,183 1,185 3,187 20,192 10,197 3,200 11,206 11,209 1,211 3,214 8,219 7,222 1,224 1,227 15,231 1,232 4,237 1,239 18,243 2,244 4,249 1,251 17,255 1,256 6,261 1,264 9,269 7,274 2,277 8,281 2125,282 22.947,283 22.947,284 22.947,285 22.947,286 22.947,287 20.223,288 21.385,289 13.858,290 23.121,291 18.325,292 18.325,293 18.325,294 18.325,295 18.325,296 14.301,297 25.391,298 6.67,299 18.591,300 4.552,301 2.606,302 1.599,303 0.895,304 0.71,305 0.677,306 4.245,312 1,313 1173,314 3.317,317 82.712,318 451.756,321 148.867,325 2.76,326 21.075,329 0.75,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.86,337 69.5,338 529,339 4.55,340 3.572,341 6.541,342 4.084,343 3.094,344 4.502,345 1.058,346 10.333,347 3.062,348 4.16,349 3.156,350 6.049,351 3.813,352 2.811,353 3.684,354 0.916,355 8.685,356 2.811,357 3.941,358 3.017,359 5.617,360 3.688,361 2.724,362 3.457,363 0.172,364 7.79,365 2.633,366 3.739,367 2.582,368 5.415,369 3.476,370 2.479,371 3.185,373 7.105,374 2.473,375 3.598,376 2.491,377 5.32,378 3.323,379 2.346,380 2.649,382 6.898,383 2.287,384 3.286,385 2.236,386 4.989,387 3.039,388 2.082,389 2.546,391 5.893,392 1.982,393 3.184,394 2.17,395 4.922,396 2.826,397 1.837,398 2.423,400 5.504,401 1.813,402 3.121,403 1.928,404 4.208,405 2.685,406 1.677,407 2.234,409 3.92,410 1.685,411 2.867,412 1.518,413 4.182,414 2.428,415 1.434,416 2.017,418 3.735,419 1.425,420 2.811,421 1.457,422 3.594,423 2.394,424 1.405,425 1.907,427 3.042,428 1.387,429 2.547,430 1.323,431 3.451,432 2.04,433 1.026,434 1.5,436 2.471,437 1.034,438 2.5,439 1.077,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.5,448 1,449 3.316,450 2,451 1,452 1.495,454 2.136,455 1,456 2.173,457 1,458 3.247,459 1.984,460 1,461 1.054,463 2.136,464 0.983,465 2,466 0.862,467 3.247,468 1.807,469 0.82,470 1,472 1.924,473 0.808,474 15.867,475 0.481,476 0.602,477 0.018,478 42.75,479 1.295,480 22,481 0.667,482 20.75,483 0.629,484 28.199,485 0.855,486 34.533,487 0.557,488 30.235,489 0.916,490 8.256,491 0.25,492 7.987,493 0.242,494 0.021,496 0.277,501 0.647,502 1.151,503 0.814,504 1.017,505 0.535,506 0.946,507 0.788,508 1.179,509 0.965,510 1.093,511 0.554,512 1.049,513 0.908,514 1.15,515 1.023,516 1.11,517 0.766,518 1.08,519 1.08,520 1.021,521 1.006,522 0.997,523 0.98,524 0.992,525 1.236,526 0.84,527 0.938,528 0.835,529 1.256,530 0.852,531 0.922,532 0.976,533 1.018,534 1.003,535 0.932,536 1.014,537 0.978,538 0.973,539 1.028,540 1.043,541 0.685,542 1.043,543 1.037,544 1.025,545 1.012,546 1.025,547 0.624,548 1.025,549 5.5,550 0.095,551 2.889,552 1.604,553 1.298,554 0.712,555 0.534,556 0.412,557 0.248,558 0.178,559 19748,560 44125,561 2.187,562 46.8,563 3,564 19,567 1,568 2,569 4,572 1.744,573 2.129,574 3.932,575 -0.442,582 86.918,583 1.402,584 3.348,585 4.355,586 5.059,587 5.245,588 5.277,589 3.4,590 4.476,591 5.011,592 4.129,593 2179.98,594 8.734,595 35362.3,600 369.16,601 1.027,602 5.01,603 0.149,604 0.004,605 0.058,606 0.033,607 0.032,608 0.018,609 0.013,610 0.011,611 0.008,612 0.007,613 0.332,614 0.33,615 0.88,616 0.306,617 180.842,618 0.131,619 -0.025,620 0.069,621 0.012,622 0.058,623 0.028,624 0.04,625 -0.089,626 -0.043,627 -0.094,628 0.079,629 -0.079,630 -0.032,631 -0.138,632 -0.059,633 -0.125,634 0.048,635 -0.098,636 0.001,637 -0.048,638 0.004,639 -0.035,640 0.062,641 -0.017,642 -0.058,643 0.12,644 0.084,645 0.132,646 -0.024,647 0.124,648 0.059,649 0.015,650 -0.039,651 -0.018,652 0.003,653 -0.032,654 0.041,655 -0.002,656 -0.041,657 -0.057,658 0.037,659 -0.058,660 0.016,661 -0.081,662 -0.013,663 -0.038,664 -0.017,665 -0.034,666 1.798,667 5.398,668 0.818,669 47.545,670 0.991,671 1.118,672 4.19,673 17.559,674 0.675,675 3.638,676 3.932,677 4.19,678 4.431,679 4.635,680 4.644,681 4.804,682 4.956,683 5.03,684 5.136,685 9.144,686 0.635,687 439.6,688 3.638,689 5.165,690 6.004,691 6.862,692 7.713,693 8.575,694 9.432,695 10.298,696 11.159,697 12.028,698 4.8,701 1,705 1,708 1,714 2,715 13,716 1,718 1,720 4,722 22,729 1,741 62,743 23,744 3,745 37,747 66,748 28,749 19,750 5,751 13,752 1,756 5,757 6,767 2,768 1,770 4,772 20,773 8,774 1,777 1,782 1,786 1,793 29,794 5,795 1,796 5,801 1,802 3,808 0.8,809 2,828 1,829 4,832 1,855 1,859 4,868 33,876 7,877 1,880 1,881 1,893 3.2,896 1,898 1,901 15.5,902 10.9,903 7.25,904 3.946,907 3.833,908 1.462,909 1.009,910 6.732,911 12.135,912 3.912,913 4.48,914 5.044,915 5.604,916 6.083,917 6.252,918 6.649,919 7.01,920 7.13,921 7.424,922 0.909,923 48,924 12.229,926 5.207,927 0.026,929 7.545,931 24.025,933 20.242,936 2.045,937 67.5,941 329.591,942 163.645,943 40.732,945 34.879,948 163.645,949 364.47,950 40.732,952 34.466,953 123.191,954 49.446,955 27.316,956 4.836,957 329.591,959 329.591,960 204.377,961 34.879,964 282.506,965 81.963,968 40.347,969 144.433,970 19.597,972 329.591,973 75.611,974 163.645,977 329.591,978 40.454,979 126.316,980 18.011,981 54.476,982 329.591,983 75.611,984 163.645,986 0.573,987 0.33,988 0.178,989 0.095,990 24,991 9,992 0.106,993 7,994 1,995 1.074,996 4.736,997 293.305,998 0.074,999 27,1000 154.465,1005 21.727,1006 10.225,1007 5.456,1008 1.753,1009 75.611,1010 25.708,1011 4.331,1013 5.591,1015 3.748,1017 18.011,1018 568.846,1019 49,1024 12.398,1028 -0.131,1031 61.447,1032 69.311,1034 0.235,1035 0.562,1036 0.731,1037 0.85,1038 0.881,1039 0.886,1040 5.127,1041 1.677,1042 5.953,1043 5.504,1044 4.615,1045 5.168,1046 1.557,1047 6.706,1048 4.587,1049 6.299,1050 1.434,1051 7.468,1052 3.92,1053 4.007,1054 4.783,1055 0.325,1056 7.455,1057 3.964,1058 7.577,1059 1.405,1060 9.08,1061 3.735,1062 6.151,1063 7.32,1064 1.496,1065 10.54,1066 6.094,1067 8.89,1068 1.026,1069 10.752,1070 3.042,1071 6.399,1072 7.845,1073 0.393,1074 12.16,1075 6.331,1076 10.238,1077 1,1078 12.463,1079 2.471,1080 7.953,1081 9.805,1082 1.507,1083 14.727,1084 7.873,1085 11.611,1086 1,1087 14.202,1088 2.275,1089 8.616,1090 10.797,1091 0.384,1092 16.725,1093 8.529,1094 13.006,1095 1,1096 15.962,1097 2.136,1098 9.91,1099 12.498,1100 1.547,1101 19.117,1102 9.811,1103 3.094,1104 0.82,1105 17.739,1106 2.136,1107 10.786,1108 13.738,1109 0.351,1110 21.289,1111 10.681,1112 2.811,1113 10.333,1114 19.528,1115 1.924,1116 11.963,1117 15.32,1118 1.603,1119 23.624,1120 11.847,1121 2.724,1122 8.685,1123 21.328,1124 4.502,1125 12.949,1126 16.689,1127 0.312,1128 25.876,1129 12.826,1130 2.479,1131 7.79,1132 23.138,1133 3.684,1134 14.076,1135 18.22,1136 1.67,1137 28.197,1138 13.944,1139 2.346,1140 7.105,1141 24.955,1142 3.457,1143 15.118,1144 19.654,1145 0.273,1146 30.488,1147 14.979,1148 2.082,1149 6.898,1150 26.779,1151 3.185,1152 16.227,1153 21.164,1154 1.744,1155 32.808,1156 16.078,1157 1.837,1158 5.893,1159 28.609,1160 2.649,1161 17.299,1162 22.632,1163 0.236,1164 35.118,1165 17.143,1166 18093,1167 27274,1168 25.83,1169 41.824,1170 55.069,1171 55.784,1172 55.007,1173 54.679,1174 54.665,1175 71.751,1176 4.294,1177 150.593,1178 53.952,1179 5.55,1180 5.572,1181 6.343,1182 5.119,1183 5.094,1184 7.502,1185 2.117,1186 17.09,1187 5.062,1188 7.803,1189 1.488,1190 1.508,1191 1.487,1192 1.478,1193 1.477,1194 1.939,1195 0.116,1196 4.07,1197 1.458,1198 4.108,1199 4.127,1200 4.074,1201 3.998,1202 7.429,1203 4.011,1204 3.948,1205 3.992,1206 3.866,1207 3.865,1208 5.258,1209 3.86,1210 3.906,1211 3.932,1212 3.845,1213 3.837,1214 4.76,1215 3.834,1216 3.816,1217 3.863,1218 3.701,1219 3.714,1220 4.726,1221 3.703,1222 3.517,1223 3.575,1224 3.436,1225 3.354,1226 4.477,1227 3.362,1228 3.347,1229 3.404,1230 3.232,1231 3.138,1232 4.32,1233 3.156,1234 3.171,1235 3.219,1236 3.085,1237 3.004,1238 3.974,1239 3.011,1240 3.111,1241 3.206,1242 2.916,1243 2.941,1244 3.832,1245 2.91,1246 0.123,1247 0.097,1248 0.177,1249 0.11,1250 0.084,1251 4.55,1252 0.122,1253 3.572,1254 0.029,1255 6.541,1256 0.279,1257 4.084,1258 0.083,1259 3.094,1260 4.502,1261 1.058,1262 10.333,1263 3.062,1264 1.956,1265 1.932,1266 2.106,1267 2.072,1268 1.487,1269 2.086,1270 1.929,1271 1.894,1272 2.038,1273 2.037,1274 1.205,1275 2.036,1276 1.887,1277 1.862,1278 2.016,1279 1.967,1280 1.138,1281 1.984,1282 1.827,1283 1.781,1284 1.976,1285 1.94,1286 1.072,1287 1.955,1288 1.506,1289 1.448,1290 1.729,1291 1.718,1292 0.973,1293 1.719,1294 1.241,1295 1.19,1296 1.513,1297 1.468,1298 0.825,1299 1.457,1300 1.164,1301 1.124,1302 1.465,1303 1.448,1304 0.692,1305 1.429,1306 1.153,1307 1.064,1308 1.332,1309 1.376,1310 0.457,1311 1.402,1312 4.317,1314 5.617,1315 2.398,1316 7.107,1317 4.727,1318 8.678,1319 6.823,1320 10.29,1328 7.883,1329 2.933,1332 0.73,1333 2.558,1340 39.342,1341 86.918,1342 207.59,1343 270.035,1344 313.65,1345 325.16,1346 327.16,1347 49.854,1348 8.302,1349 58.37,1350 58.37,1351 29,1352 12.574,1353 4.585,1354 3.7,1355 48.308,1356 181,1357 175,1358 0.126,1359 238.563,1360 409.1,1361 573.854,1362 58366,1364 22.46,1365 0.681,1366 0.568,1367 22.46,1368 18.744,1369 16.242,1370 0.439,1371 0.318,1372 11.652,1373 15.82,1374 11.416,1375 9.452,1376 16.242,1377 11.754,1378 14.255,1379 0.285,1380 0.178,1381 14.255,1382 8.904,1383 12.127,1384 0.187,1385 0.101,1386 12.127,1387 6.586,1388 10.073,1389 0.121,1390 0.056,1391 10.073,1392 4.656,1393 8.134,1394 0.08,1395 0.033,1396 8.134,1397 3.383,1398 0.208,1399 100.414,1400 0.197,1401 31.79,1402 0.321,1403 174,1404 437.094,1405 185.613,1406 429.478,1407 597.08,1408 404,1409 202,1410 451.026,1411 214.807,1412 456.727,1413 661.59,1414 431,1415 8.029}
{0 CHEMBL93241,1 1.313,2 12.48,3 5.134,4 26.362,5 102.534,6 6.559,7 0.571,8 4.007,9 4.132,10 3.489,11 3.587,12 4.953,13 3.53,14 4.584,15 4.772,16 3.798,17 4,18 5.413,19 3.909,20 4.888,21 5.137,22 3.772,23 4.128,24 5.605,25 3.979,26 4.959,27 5.245,28 3.599,29 4.063,30 5.609,31 3.877,32 4.839,33 5.134,34 3.457,35 3.954,36 5.457,37 3.763,38 4.741,39 5.02,40 3.414,41 3.91,42 5.38,43 3.72,44 4.692,45 4.981,46 3.373,47 3.826,48 5.345,49 3.644,50 4.545,51 4.811,52 3.289,53 3.703,54 5.256,55 3.537,56 0.103,57 0.704,58 11.955,59 5.15,60 10.187,61 7.159,62 0.134,63 1.207,64 21.812,65 8.672,66 14.581,67 12.362,68 0.196,69 1.525,70 30.024,71 11.808,72 21.928,73 17.022,74 0.263,75 1.565,76 32.799,77 12.286,78 25.123,79 17.887,80 0.232,81 1.381,82 28.997,83 11.034,84 21.09,85 16.098,86 0.175,87 1.265,88 25.989,89 10.412,90 17.826,91 15.031,92 0.178,93 1.199,94 24.894,95 9.606,96 18.562,97 13.992,98 0.209,99 1.031,100 21.629,101 8.294,102 18.558,103 11.759,105 37,106 0.221,107 0.503,108 0.682,109 0.802,110 0.834,111 0.834,112 3.266,113 1.016,114 -5.14,115 -5.03,116 -4.71,121 43.1,123 5,124 1,127 3,144 9,145 2,148 1,154 1,168 1,176 15,180 7,187 16,192 9,200 10,206 8,214 8,219 4,227 10,232 4,239 13,244 2,251 12,255 1,256 1,264 11,268 1,269 1,277 7,281 918,282 17.568,283 17.568,284 17.568,285 17.568,286 17.568,287 15.66,288 13.865,289 10.754,290 17.71,291 13.881,292 13.881,293 13.881,294 13.881,295 13.881,296 11.134,297 14.699,298 5.16,299 14.106,300 4.359,301 2.677,302 1.611,303 0.894,304 0.706,305 0.706,306 3.973,311 1,312 1,313 695,314 2.646,317 59.806,318 246.671,321 111.552,325 2.102,326 9.501,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 52,338 312,339 4.523,340 3.136,341 6.526,342 4.052,343 3.061,344 4.473,345 0.916,346 10.264,347 3.033,348 3.941,349 3.018,350 5.616,351 3.689,352 2.726,353 3.457,354 0.172,355 7.788,356 2.634,357 3.608,358 2.564,359 5.332,360 3.472,361 2.473,362 2.772,364 6.951,365 2.47,366 3.417,367 2.273,368 5.128,369 3.078,370 2.112,371 2.633,373 6.014,374 2.042,375 3.174,376 2.16,377 4.953,378 2.982,379 2.008,380 2.318,382 5.851,383 1.942,384 3.046,385 1.546,386 4.193,387 2.544,388 1.546,389 2.243,391 3.781,392 1.543,393 2.827,394 1.521,395 3.615,396 2.425,397 1.429,398 1.931,400 3.053,401 1.423,402 2.667,403 1.323,404 3.59,405 2.285,406 1.288,407 1.736,409 2.9,410 1.284,411 2.5,412 1.077,413 3.43,414 2.024,415 1.042,416 1.5,418 2.396,419 1.021,420 2.283,421 1.051,422 3.414,423 2,424 1,425 1.246,427 2.275,428 1,429 2,430 1,431 3.247,432 1.984,433 1,434 1,436 2.136,437 0.983,438 1.972,439 0.663,440 3.09,441 1.601,442 0.602,443 0.809,445 1.388,446 0.601,447 1.328,448 0.351,449 2.839,450 1.178,451 0.198,452 0.218,454 0.484,455 0.194,456 1.002,457 -0.032,458 2.544,459 0.802,460 -0.184,461 -0.208,463 -0.457,464 -0.181,465 0.69,466 -0.438,467 2,468 0.403,469 -0.591,470 -0.679,472 -1.338,473 -0.588,474 12.133,475 0.485,476 0.376,477 0.015,478 29.5,479 1.18,480 14,481 0.56,482 15.5,483 0.62,484 21.975,485 0.879,486 26.867,487 0.527,488 17.046,489 0.682,490 5.456,491 0.218,492 6.926,493 0.277,496 0.239,501 0.651,502 1.199,503 0.89,504 1.089,505 0.609,506 1.024,507 1.013,508 1.185,509 1.044,510 1.112,511 0.775,512 1.078,513 0.899,514 1.112,515 1.033,516 1.092,517 0.765,518 1.073,519 1.113,520 1.006,521 1.028,522 0.988,523 0.959,524 0.999,525 0.98,526 0.864,527 0.977,528 0.891,529 0.962,530 0.924,531 0.781,532 0.988,533 1.007,534 1.022,535 0.924,536 1.031,537 0.848,538 0.931,539 0.948,540 0.949,541 1.027,542 0.951,543 1.315,544 0.918,545 1.072,546 0.987,547 1.369,548 1.012,549 3.5,550 0.073,551 2,552 1.104,553 0.636,554 0.274,555 0.322,556 0.233,557 0.108,558 0.059,559 9147,560 18522,561 2.204,562 51,563 5,564 15,568 2,569 4,572 1.67,573 2.174,574 3.591,575 -0.869,582 66.975,583 1.313,584 2.995,585 4.062,586 4.778,587 4.967,588 4.967,589 3.049,590 4.324,591 4.617,592 3.775,593 1132.47,594 7.929,595 14739.4,600 289.294,601 0.795,602 4.619,603 0.125,604 0.005,605 0.054,606 0.032,607 0.024,608 0.011,609 0.014,610 0.011,611 0.005,612 0.003,613 0.285,614 0.5,615 1,617 124.595,618 0.273,619 -0.042,620 0.087,621 -0.003,622 0.294,623 0.019,624 -0.044,625 -0.078,626 -0.061,627 -0.091,628 0.065,629 -0.076,630 -0.02,631 -0.108,632 -0.06,633 -0.104,634 0.079,635 -0.087,636 -0.065,637 -0.051,638 -0.042,639 -0.035,640 -0.001,641 -0.037,642 -0.075,643 0.085,645 0.065,646 -0.086,647 0.044,648 -0.034,649 -0.038,650 -0.046,651 -0.039,652 -0.118,653 -0.044,654 -0.009,655 0.022,656 0.023,657 0.015,658 -0.098,659 0.023,660 -0.053,661 0.043,662 -0.074,663 -0.019,664 -0.196,665 -0.046,666 0.758,667 1.906,668 0.84,669 25.149,670 0.983,671 1.121,672 3.906,673 15.256,674 0.659,675 3.367,676 3.638,677 3.892,678 4.127,679 4.29,680 4.22,681 4.317,682 4.407,683 4.369,684 4.443,685 7.345,686 0.609,687 334.5,688 3.367,689 4.875,690 5.707,691 6.555,692 7.399,693 8.252,694 9.102,695 9.957,696 10.809,697 11.666,698 3.9,701 1,708 1,714 2,715 9,716 1,718 1,720 2,722 16,741 51,743 16,744 2,745 28,747 54,748 22,749 13,750 3,751 9,756 4,757 5,767 2,768 1,770 5,772 13,773 9,774 1,793 26,794 3,796 3,801 1,802 2,808 0.75,809 1,828 1,829 3,832 1,855 1,859 3,868 25,876 8,880 1,881 1,893 2,898 1,901 11.5,902 8.9,903 5.556,904 3.411,907 2.838,908 1.386,909 0.995,910 5.246,911 10.19,912 3.611,913 4.155,914 4.717,915 5.274,916 5.7,917 5.78,918 6.085,919 6.37,920 6.025,921 6.142,922 1,923 34,924 9.271,926 3.88,927 0.026,929 7.36,931 18.679,933 15.846,936 1.86,937 46.5,938 0.001,940 1,941 306.049,942 117.627,943 22.721,945 9.734,948 117.627,949 315.783,950 22.721,952 18.99,953 85.286,954 19.597,955 21.374,956 4.836,957 306.049,959 306.049,960 140.348,961 9.734,964 258.964,965 56.819,968 24.871,969 95.881,970 19.597,972 306.049,973 32.455,974 117.627,977 306.049,978 32.341,979 88.411,981 29.331,982 306.049,983 32.455,984 117.627,986 0.565,987 0.327,988 0.18,989 0.095,990 18,991 6,992 0.111,993 6,994 1,995 1.095,996 4.037,997 196.112,998 0.095,999 21,1000 108.096,1005 16.504,1006 7.946,1007 4.175,1008 2.09,1009 32.455,1010 18.991,1011 4.254,1013 5.406,1015 2.552,1018 456.131,1019 36,1031 50.134,1032 57.188,1034 0.232,1035 0.528,1036 0.716,1037 0.842,1038 0.876,1039 0.876,1040 4.812,1041 1.288,1042 5.638,1043 3.053,1044 4.317,1045 4.84,1046 0.918,1047 6.372,1048 4.286,1049 5.961,1050 1.042,1051 7.136,1052 2.9,1053 3.611,1054 4.388,1055 0.325,1056 7.096,1057 3.549,1058 7.225,1059 1,1060 8.735,1061 2.396,1062 5.826,1063 6.983,1064 0.671,1065 10.19,1066 5.761,1067 8.527,1068 1,1069 10.398,1070 2.275,1071 6.019,1072 7.52,1073 0.393,1074 11.84,1075 5.929,1076 9.869,1077 0.602,1078 12.104,1079 2.136,1080 7.613,1081 9.501,1082 0.533,1083 14.405,1084 7.519,1085 11.241,1086 0.198,1087 13.843,1088 1.388,1089 8.252,1090 10.537,1091 0.384,1092 16.445,1093 8.14,1094 12.637,1095 -0.184,1096 15.606,1097 0.484,1098 9.567,1099 12.246,1100 0.438,1101 18.841,1102 9.448,1103 3.061,1104 -0.591,1105 17.387,1106 -0.457,1107 10.436,1108 13.528,1109 0.351,1110 21.048,1111 10.304,1112 2.726,1113 10.264,1114 19.184,1115 -1.338,1116 11.624,1117 15.115,1118 0.366,1119 23.392,1120 11.484,1121 2.473,1122 7.788,1123 20.993,1124 4.473,1125 12.61,1126 16.513,1127 0.312,1128 25.668,1129 12.46,1130 2.112,1131 6.951,1132 22.812,1133 3.457,1134 13.744,1135 18.047,1136 0.309,1137 27.998,1138 13.585,1139 2.008,1140 6.014,1141 24.64,1142 2.772,1143 14.788,1144 19.498,1145 0.273,1146 30.303,1147 14.621,1148 1.546,1149 5.851,1150 26.475,1151 2.633,1152 15.901,1153 21.011,1154 0.262,1155 32.629,1156 15.725,1157 1.429,1158 3.781,1159 28.317,1160 2.318,1161 16.975,1162 22.487,1163 0.236,1164 34.947,1165 16.792,1166 8400,1167 12086,1168 19.761,1169 33.603,1170 41.143,1171 40.99,1172 41.233,1173 40.997,1174 40.971,1175 52.671,1176 2.178,1177 110.561,1178 40.336,1179 5.523,1180 5.136,1181 6.328,1182 5.087,1183 5.061,1184 7.473,1185 1.605,1186 16.912,1187 5.033,1189 1.469,1190 1.464,1191 1.473,1192 1.464,1193 1.463,1194 1.881,1195 0.078,1196 3.949,1197 1.441,1198 4.091,1199 4.11,1200 4.055,1201 3.983,1202 5.261,1203 3.995,1204 3.952,1205 3.998,1206 3.865,1207 3.866,1208 4.756,1209 3.861,1210 3.825,1211 3.871,1212 3.709,1213 3.727,1214 4.466,1215 3.715,1216 3.542,1217 3.61,1218 3.4,1219 3.406,1220 4.325,1221 3.395,1222 3.309,1223 3.368,1224 3.2,1225 3.133,1226 4.017,1227 3.138,1228 3.144,1229 3.207,1230 2.993,1231 2.966,1232 3.805,1233 2.963,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.674,1239 2.91,1240 2.933,1241 2.99,1242 2.795,1243 2.783,1244 3.652,1245 2.782,1246 0.162,1247 0.112,1248 0.233,1249 0.145,1250 0.109,1251 4.523,1252 0.16,1253 3.136,1254 0.033,1255 6.526,1256 0.367,1257 4.052,1258 0.108,1259 3.061,1260 4.473,1261 0.916,1262 10.264,1263 3.033,1264 1.944,1265 1.916,1266 2.11,1267 2.071,1268 1.495,1269 2.087,1270 1.923,1271 1.893,1272 2.036,1273 2.004,1274 1.238,1275 2.014,1276 1.839,1277 1.792,1278 2.003,1279 1.951,1280 1.143,1281 1.972,1282 1.577,1283 1.516,1284 1.815,1285 1.773,1286 1.042,1287 1.786,1288 1.274,1289 1.211,1290 1.514,1291 1.509,1292 0.825,1293 1.502,1294 1.153,1295 1.064,1296 1.513,1297 1.376,1298 0.758,1299 1.429,1300 1.09,1301 1.029,1302 1.352,1303 1.34,1304 0.566,1305 1.335,1306 0.938,1307 0.908,1308 1.181,1309 1.165,1310 0.333,1311 1.174,1312 4.043,1314 5.323,1315 2.398,1316 6.799,1317 4.727,1318 8.359,1319 6.823,1320 9.961,1328 9.748,1332 0.866,1333 2.594,1340 31.079,1341 66.975,1342 152.748,1343 207.155,1344 243.684,1345 253.294,1346 253.294,1347 30.552,1348 7.352,1349 29.27,1350 29.27,1351 23,1352 12.22,1353 4.087,1354 3.17,1355 36.36,1356 112,1357 96,1358 0.155,1359 189.321,1360 319.33,1361 453.704,1362 17710,1364 16.899,1365 0.676,1366 0.589,1367 16.899,1368 14.733,1369 12.382,1370 0.442,1371 0.339,1372 9.408,1373 12.09,1374 9.211,1375 7.633,1376 12.382,1377 9.479,1378 10.603,1379 0.287,1380 0.195,1381 10.603,1382 7.223,1383 9.027,1384 0.188,1385 0.113,1386 9.027,1387 5.434,1388 7.535,1389 0.124,1390 0.065,1391 7.535,1392 3.951,1393 6.014,1394 0.084,1395 0.04,1396 6.014,1397 2.889,1398 0.255,1399 76.268,1400 0.225,1401 25.138,1402 0.396,1403 130,1404 291.026,1405 137.345,1406 287.016,1407 404.9,1408 272,1409 150,1410 311.136,1411 158.815,1412 314.337,1413 454.17,1414 297,1415 6.05}
{0 CHEMBL93619,1 1.387,2 12.423,3 4.662,4 21.732,5 104.397,6 6.74,7 0.552,8 4.037,9 4.155,10 3.538,11 3.585,12 5.023,13 3.543,14 4.609,15 4.793,16 3.852,17 3.989,18 5.473,19 3.92,20 4.874,21 5.101,22 3.884,23 4.132,24 5.669,25 4.012,26 4.981,27 5.245,28 3.766,29 4.101,30 5.725,31 3.949,32 4.905,33 5.186,34 3.604,35 4.013,36 5.59,37 3.848,38 4.778,39 5.039,40 3.545,41 3.951,42 5.505,43 3.792,44 4.719,45 4.98,46 3.442,47 3.863,48 5.433,49 3.697,50 4.612,51 4.884,52 3.312,53 3.721,54 5.303,55 3.547,56 0.09,57 0.717,58 12.03,59 5.216,60 10.735,61 7.05,62 0.172,63 1.206,64 22.372,65 8.588,66 16.844,67 11.94,68 0.296,69 1.497,70 29.638,71 11.415,72 25.583,73 16.248,74 0.339,75 1.581,76 33.869,77 12.298,78 31.715,79 17.713,80 0.313,81 1.452,82 31.529,83 11.382,84 27.82,85 16.52,86 0.237,87 1.326,88 27.314,89 10.102,90 23.222,91 14.637,92 0.263,93 1.205,94 25.944,95 9.846,96 23.541,97 13.895,98 0.246,99 1.057,100 23.371,101 8.896,102 20.174,103 12.671,104 3,105 39,106 0.232,107 0.536,108 0.728,109 0.81,110 0.829,111 0.829,112 3.303,113 0.984,114 -4.6,115 -4.52,116 -4.25,121 42.3,123 4,124 1,126 1,127 3,144 8,145 2,146 1,148 1,154 1,168 1,176 13,180 7,187 13,191 1,192 10,200 8,205 1,206 9,214 5,219 6,227 10,232 3,239 11,243 1,244 2,251 10,255 1,256 3,264 7,269 2,277 4,281 986,282 18.231,283 18.231,284 18.231,285 18.231,286 18.231,287 16.331,288 18.178,289 10.949,290 18.545,291 14.286,292 14.286,293 14.286,294 14.286,295 14.286,296 11.454,297 19.35,298 5.136,299 14.69,300 4.314,301 2.496,302 1.351,303 0.861,304 0.745,305 0.745,306 4.008,311 1,312 1,313 712,314 2.739,317 59.675,318 250.112,321 112.356,325 2.006,326 13.16,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 55,338 323,339 4.607,340 3.268,341 6.708,342 4.14,343 3.155,344 4.572,345 0.916,346 10.884,347 3.105,348 3.941,349 3.018,350 5.715,351 3.69,352 2.727,353 3.457,354 0.86,355 7.799,356 2.635,357 3.748,358 2.726,359 5.614,360 3.485,361 2.493,362 3.165,363 0.172,364 7.593,365 2.477,366 3.588,367 2.544,368 5.327,369 3.32,370 2.362,371 2.632,373 6.919,374 2.254,375 3.174,376 2.225,377 4.955,378 3.019,379 2.066,380 2.324,382 5.864,383 1.959,384 3.05,385 1.805,386 4.558,387 2.55,388 1.558,389 2.244,391 4.301,392 1.547,393 2.842,394 1.544,395 4.126,396 2.46,397 1.485,398 1.957,400 3.703,401 1.446,402 2.775,403 1.515,404 3.594,405 2.397,406 1.41,407 1.858,409 3.041,410 1.385,411 2.5,412 1.124,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.363,421 1.077,422 3.37,423 1.984,424 1,425 1.31,427 2.136,428 0.983,429 2,430 1,431 3.247,432 1.914,433 0.942,434 1,436 2.106,437 0.912,438 1.8,439 0.856,440 3.218,441 1.646,442 0.689,443 0.746,445 1.563,446 0.654,447 1.537,448 0.563,449 2.814,450 1.244,451 0.328,452 0.384,454 0.561,455 0.299,456 1.217,457 0.269,458 2.661,459 1.025,460 0.056,461 0.062,463 0.135,464 0.054,465 0.798,466 -0.205,467 2.336,468 0.534,469 -0.452,470 -0.519,472 -1.054,473 -0.444,474 12.467,475 0.479,476 0.427,477 0.016,478 31,479 1.192,480 14.5,481 0.558,482 16.5,483 0.635,484 22.905,485 0.881,486 28.333,487 0.545,488 19.456,489 0.748,490 5.956,491 0.229,492 6.875,493 0.264,494 0.04,496 0.273,501 0.719,502 1.255,503 0.855,504 1.141,505 0.646,506 1.035,507 1.155,508 1.106,509 0.999,510 1.019,511 0.91,512 0.989,513 0.742,514 1.14,515 0.994,516 1.114,517 0.675,518 1.082,519 0.975,520 1.057,521 1.012,522 1.038,523 0.875,524 1.03,525 1.007,526 0.89,527 0.978,528 0.876,529 1.025,530 0.915,531 0.912,532 1.009,533 1.098,534 1.042,535 1.151,536 1.074,537 1.034,538 0.958,539 1.09,540 1.039,541 1.194,542 1.07,543 0.869,544 0.996,545 0.975,546 1.015,547 0.975,548 1.018,549 4,550 0.099,551 2.444,552 1.194,553 1.072,554 0.504,555 0.331,556 0.267,557 0.133,558 0.103,559 9522,560 20689,561 2.172,562 50,563 3,564 17,568 2,569 4,572 1.683,573 2.108,574 3.582,575 -0.836,582 72.104,583 1.387,584 3.204,585 4.349,586 4.84,587 4.955,588 4.955,589 3.075,590 4.027,591 4.672,592 3.758,593 1221.48,594 8.052,595 16006.4,597 1,600 296.423,601 1.058,602 4.663,603 0.138,604 0.006,605 0.063,606 0.031,607 0.033,608 0.018,609 0.013,610 0.012,611 0.007,612 0.006,613 0.326,614 0.33,615 1,616 0.542,617 130.276,618 0.175,619 -0.084,620 0.09,621 -0.041,622 0.233,623 0.003,624 -0.096,625 -0.001,626 -0.02,627 0.001,628 0.005,629 0.002,630 0.117,631 -0.112,632 -0.031,633 -0.112,634 0.165,635 -0.089,636 0.015,637 -0.087,638 -0.026,639 -0.076,640 0.086,641 -0.06,642 -0.087,643 0.064,644 0.005,645 0.079,646 -0.1,647 0.056,648 -0.096,649 -0.005,650 -0.132,651 -0.072,652 -0.225,653 -0.097,654 -0.064,655 -0.002,656 -0.112,657 -0.061,658 -0.201,659 -0.089,660 0.055,661 -0.075,662 0.001,663 -0.037,664 -0.069,665 -0.031,666 0.907,667 2.011,668 0.808,669 26.296,670 0.99,671 1.123,672 3.366,673 11.331,674 0.655,675 3.401,676 3.689,677 3.97,678 4.22,679 4.407,680 4.394,681 4.5,682 4.605,683 4.605,684 4.682,685 7.23,686 0.611,687 350.5,688 3.401,689 4.92,690 5.765,691 6.627,692 7.486,693 8.353,694 9.219,695 10.09,696 10.959,697 11.833,698 3.8,701 1,708 1,714 2,715 8,716 1,718 1,720 3,722 16,739 1,741 52,743 16,744 2,745 29,747 55,748 22,749 13,750 4,751 8,756 4,757 5,767 2,768 1,770 4,772 13,773 9,774 1,790 1,793 26,794 4,796 4,801 1,802 2,808 0.75,809 2,828 1,829 3,832 1,855 1,859 3,864 1,868 26,876 7,878 1,880 1,881 1,893 3.8,898 2,901 12.333,902 9.483,903 5.833,904 3.321,907 2.935,908 1.39,909 0.983,910 5.447,911 10.457,912 3.638,913 4.201,914 4.793,915 5.368,916 5.82,917 5.987,918 6.305,919 6.596,920 6.439,921 6.546,922 1,923 38,924 9.624,926 4.018,927 0.026,929 7.429,931 19.172,933 16.071,936 1.929,937 50.167,939 1,940 1,941 306.049,942 121.743,943 22.721,945 20.734,948 121.743,949 326.783,950 22.721,951 10.883,952 16.455,953 75.81,954 19.597,955 37.617,956 4.836,957 306.049,959 306.049,960 144.464,961 20.734,964 258.964,965 67.818,968 22.336,969 102.531,970 19.597,972 306.049,973 43.455,974 121.743,977 306.049,978 35.05,979 89.817,981 40.331,982 306.049,983 43.455,984 121.743,986 0.568,987 0.338,988 0.187,989 0.099,990 19,991 7,992 0.109,993 6,994 1,995 1.095,996 4.022,997 211.773,998 0.095,999 21,1000 114.211,1005 17.416,1006 8.131,1007 4.066,1008 1.855,1009 43.455,1010 16.763,1011 4.294,1013 5.511,1015 3.232,1018 471.247,1019 37,1031 51.461,1032 58.398,1034 0.243,1035 0.562,1036 0.763,1037 0.849,1038 0.869,1039 0.869,1040 4.852,1041 1.41,1042 5.714,1043 3.703,1044 4.369,1045 4.887,1046 1.382,1047 6.485,1048 4.319,1049 6.016,1050 1,1051 7.239,1052 3.041,1053 3.761,1054 4.543,1055 0.325,1056 7.31,1057 3.678,1058 7.297,1059 1,1060 8.866,1061 2.275,1062 5.916,1063 7.066,1064 1.115,1065 10.408,1066 5.822,1067 8.618,1068 0.942,1069 10.557,1070 2.136,1071 6.196,1072 7.691,1073 0.393,1074 12.136,1075 6.072,1076 9.979,1077 0.689,1078 12.29,1079 2.106,1080 7.748,1081 9.625,1082 0.921,1083 14.737,1084 7.617,1085 11.369,1086 0.328,1087 14.055,1088 1.563,1089 8.456,1090 10.723,1091 0.384,1092 16.844,1093 8.301,1094 12.783,1095 0.056,1096 15.844,1097 0.561,1098 9.753,1099 12.412,1100 0.764,1101 19.292,1102 9.588,1103 3.155,1104 -0.452,1105 17.651,1106 0.135,1107 10.676,1108 13.739,1109 0.351,1110 21.561,1111 10.492,1112 2.727,1113 10.884,1114 19.473,1115 -1.054,1116 11.866,1117 15.325,1118 0.634,1119 23.964,1120 11.671,1121 2.493,1122 7.799,1123 21.308,1124 4.572,1125 12.896,1126 16.758,1127 0.312,1128 26.3,1129 12.685,1130 2.362,1131 7.593,1132 23.153,1133 3.457,1134 14.045,1135 18.302,1136 0.525,1137 28.69,1138 13.822,1139 2.066,1140 6.919,1141 25.007,1142 3.165,1143 15.129,1144 19.783,1145 0.273,1146 31.055,1147 14.891,1148 1.558,1149 5.864,1150 26.868,1151 2.632,1152 16.265,1153 21.311,1154 0.433,1155 33.442,1156 16.014,1157 1.485,1158 4.301,1159 28.736,1160 2.324,1161 17.377,1162 22.813,1163 0.236,1164 35.82,1165 17.11,1166 8866,1167 13219,1168 20.167,1169 34.057,1170 42.676,1171 42.937,1172 43.389,1173 42.521,1174 42.54,1175 54.423,1176 3.898,1177 117.765,1178 41.417,1179 5.607,1180 5.268,1181 6.51,1182 5.175,1183 5.155,1184 7.572,1185 1.776,1186 18.004,1187 5.105,1188 6.9,1189 1.472,1190 1.481,1191 1.496,1192 1.466,1193 1.467,1194 1.877,1195 0.134,1196 4.061,1197 1.428,1198 4.099,1199 4.114,1200 4.069,1201 3.985,1202 5.268,1203 4,1204 3.947,1205 3.99,1206 3.863,1207 3.864,1208 4.756,1209 3.858,1210 3.816,1211 3.863,1212 3.7,1213 3.713,1214 4.661,1215 3.703,1216 3.492,1217 3.55,1218 3.38,1219 3.335,1220 4.322,1221 3.335,1222 3.291,1223 3.352,1224 3.161,1225 3.088,1226 4.302,1227 3.095,1228 3.216,1229 3.278,1230 3.057,1231 2.963,1232 3.934,1233 2.974,1234 3.111,1235 3.206,1236 2.889,1237 2.941,1238 3.715,1239 2.91,1240 3.063,1241 3.128,1242 2.866,1243 2.881,1244 3.674,1245 2.876,1246 0.159,1247 0.113,1248 0.231,1249 0.143,1250 0.109,1251 4.607,1252 0.158,1253 3.268,1254 0.032,1255 6.708,1256 0.375,1257 4.14,1258 0.107,1259 3.155,1260 4.572,1261 0.916,1262 10.884,1263 3.105,1264 1.945,1265 1.919,1266 2.106,1267 2.071,1268 1.487,1269 2.086,1270 1.917,1271 1.891,1272 2.026,1273 2.006,1274 1.2,1275 2.008,1276 1.827,1277 1.781,1278 1.981,1279 1.946,1280 1.132,1281 1.963,1282 1.502,1283 1.445,1284 1.729,1285 1.72,1286 0.968,1287 1.719,1288 1.237,1289 1.176,1290 1.571,1291 1.512,1292 0.825,1293 1.532,1294 1.164,1295 1.087,1296 1.513,1297 1.43,1298 0.691,1299 1.429,1300 1.153,1301 1.064,1302 1.458,1303 1.376,1304 0.575,1305 1.429,1306 0.962,1307 0.905,1308 1.221,1309 1.272,1310 0.44,1311 1.242,1312 4.078,1314 5.371,1315 2.398,1316 6.866,1317 4.727,1318 8.449,1319 6.843,1320 10.077,1322 1.667,1328 8.139,1330 5.357,1332 0.777,1333 2.572,1340 31.794,1341 72.104,1342 166.609,1343 226.158,1344 251.668,1345 257.668,1346 257.668,1347 33.727,1348 7.521,1349 38.5,1350 38.5,1351 23,1352 12.374,1353 4.087,1354 3.17,1355 38.423,1356 115,1357 104,1358 0.163,1359 193.318,1360 328.12,1361 463.455,1362 20948,1364 17.769,1365 0.683,1366 0.591,1367 17.769,1368 15.357,1369 12.831,1370 0.442,1371 0.328,1372 9.395,1373 12.39,1374 9.164,1375 7.603,1376 12.831,1377 9.508,1378 10.968,1379 0.281,1380 0.185,1381 10.968,1382 7.21,1383 9.572,1384 0.184,1385 0.106,1386 9.572,1387 5.502,1388 8.014,1389 0.12,1390 0.059,1391 8.014,1392 3.944,1393 6.432,1394 0.079,1395 0.036,1396 6.432,1397 2.892,1398 0.264,1399 80.075,1400 0.223,1401 25.741,1402 0.422,1403 136,1404 342.761,1405 146.224,1406 329.125,1407 460.15,1408 312,1409 159,1410 348.681,1411 171.248,1412 351.811,1413 510.14,1414 330,1415 8.15}
{0 CHEMBL93936,1 1.399,2 14.567,3 4.528,4 20.504,5 121.437,6 6.649,7 0.471,8 4.202,9 4.326,10 3.697,11 3.733,12 5.132,13 3.693,14 4.805,15 4.994,16 4.025,17 4.156,18 5.639,19 4.087,20 5.09,21 5.331,22 4.023,23 4.321,24 5.83,25 4.193,26 5.159,27 5.43,28 3.897,29 4.307,30 5.837,31 4.136,32 5.104,33 5.39,34 3.848,35 4.218,36 5.778,37 4.053,38 4.993,39 5.249,40 3.827,41 4.135,42 5.737,43 3.999,44 4.901,45 5.151,46 3.706,47 4.024,48 5.681,49 3.886,50 4.716,51 4.971,52 3.495,53 3.872,54 5.456,55 3.712,56 0.101,57 0.877,58 14.515,59 6.022,60 10.061,61 8.354,62 0.236,63 1.491,64 27.685,65 9.924,66 19.617,67 14.241,68 0.371,69 1.859,70 37.289,71 13.569,72 28.392,73 19.776,74 0.346,75 1.903,76 39.98,77 14.972,78 29.09,79 21.971,80 0.319,81 1.755,82 38.103,83 14.165,84 29.877,85 20.687,86 0.322,87 1.581,88 34.254,89 12.277,90 28.937,91 17.639,92 0.483,93 1.442,94 31.6,95 10.759,96 33.703,97 15.485,98 0.323,99 1.221,100 25.79,101 9.36,102 24.564,103 13.656,105 46,106 0.226,107 0.516,108 0.719,109 0.808,110 0.815,111 0.815,112 3.44,113 0.999,114 -4.44,115 -4.37,116 -4.12,121 41,123 4,124 1,127 7,144 8,145 2,146 1,148 1,154 1,168 1,176 12,180 9,187 14,191 1,192 9,200 8,205 1,206 8,214 6,218 1,219 7,227 10,232 4,239 11,243 2,244 3,251 11,255 2,256 2,264 5,269 6,277 4,281 1538,282 21.085,283 21.085,284 21.085,285 21.085,286 21.085,287 19.229,288 24.32,289 12.764,290 21.496,291 16.852,292 16.852,293 16.852,294 16.852,295 16.852,296 14.083,297 29.561,298 6.142,299 17.486,300 4.532,301 2.734,302 1.48,303 0.93,304 0.885,305 0.885,306 4.158,311 1,312 1,313 982,314 2.646,317 71.252,318 391.256,321 128.996,325 2.404,326 15.685,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 63.5,338 437,339 4.556,340 3.221,341 6.554,342 4.098,343 3.112,344 4.505,345 0.916,346 10.382,347 3.07,348 3.968,349 3.029,350 6.114,351 3.713,352 2.766,353 3.457,354 0.86,355 8.96,356 2.64,357 3.94,358 3.008,359 5.617,360 3.676,361 2.719,362 3.334,363 0.8,364 7.789,365 2.588,366 3.607,367 2.564,368 5.343,369 3.467,370 2.469,371 2.655,372 0.172,373 6.971,374 2.461,375 3.315,376 2.357,377 5.118,378 3.067,379 2.11,380 2.537,382 6.043,383 2.012,384 3.143,385 2.24,386 4.945,387 2.922,388 1.966,389 2.239,391 5.785,392 1.877,393 3.031,394 2.025,395 4.417,396 2.672,397 1.718,398 2.185,400 4.361,401 1.635,402 2.831,403 1.555,404 4.207,405 2.429,406 1.447,407 1.93,409 3.746,410 1.422,411 2.787,412 1.517,413 3.594,414 2.398,415 1.415,416 1.859,418 3.042,419 1.382,420 2.5,421 1.358,422 3.506,423 2,424 1.097,425 1.5,427 2.659,428 1,429 2.257,430 1.256,431 3.414,432 1.998,433 1,434 1.225,436 2.275,437 0.983,438 2.139,439 1.077,440 3.316,441 1.984,442 1,443 1.04,445 2.136,446 0.979,447 2,448 1,449 3.247,450 1.952,451 1,452 1,454 2.136,455 0.946,456 2,457 0.858,458 3.247,459 1.807,460 0.82,461 1,463 1.923,464 0.808,465 1.715,466 0.537,467 3.125,468 1.479,469 0.489,470 0.595,472 1.194,473 0.483,474 14.367,475 0.479,476 0.496,477 0.017,478 34.25,479 1.142,480 14.5,481 0.483,482 19.75,483 0.658,484 28.605,485 0.954,486 33.033,487 0.542,488 22.145,489 0.738,490 6.44,491 0.215,492 8.409,493 0.28,496 0.265,501 0.752,502 1.365,503 0.866,504 1.182,505 0.661,506 1.06,507 1.304,508 1.161,509 1.058,510 1.035,511 0.997,512 1.013,513 0.994,514 1.047,515 1.07,516 1.032,517 0.889,518 1.051,519 0.707,520 1.057,521 1.007,522 1.077,523 0.82,524 1.074,525 0.738,526 0.913,527 0.866,528 0.938,529 0.853,530 0.92,531 1.233,532 1.006,533 1.023,534 1.004,535 1.343,536 0.995,537 1.398,538 0.946,539 1.157,540 0.98,541 1.578,542 1.034,543 0.91,544 1.067,545 1.119,546 1.103,547 1.131,548 1.132,549 4.5,550 0.091,551 2.667,552 1.229,553 1.018,554 0.611,555 0.542,556 0.307,557 0.12,558 0.158,559 15159,560 30862,561 2.228,562 50.8,563 3,564 22,568 2,569 4,572 1.72,573 2.195,574 3.799,575 -0.825,582 85.344,583 1.399,584 3.196,585 4.451,586 5,587 5.045,588 5.045,589 3.228,590 4.282,591 4.875,592 3.979,593 1730.82,594 8.458,595 25662.2,597 1,600 361.775,601 0.837,602 4.881,603 0.132,604 0.004,605 0.058,606 0.028,607 0.028,608 0.017,609 0.015,610 0.01,611 0.005,612 0.008,613 0.305,614 0.33,615 0.88,617 158.635,618 0.166,619 -0.151,620 0.101,621 -0.06,622 0.219,623 -0.001,624 -0.137,625 -0.024,626 -0.055,627 -0.015,628 -0.019,629 -0.022,630 -0.055,631 -0.007,632 -0.091,633 -0.037,634 -0.008,635 -0.063,636 0.03,637 -0.084,638 -0.049,639 -0.087,640 -0.001,641 -0.079,642 0.051,643 0.025,644 0.1,645 0.039,646 0.02,647 0.07,648 -0.084,649 -0.038,650 -0.025,651 -0.024,652 -0.163,653 -0.019,654 -0.028,655 0.042,656 -0.135,657 -0.022,658 -0.2,659 -0.081,660 0.058,661 -0.073,662 -0.139,663 -0.12,664 -0.097,665 -0.15,666 0.758,667 2.188,668 0.9,669 38.236,670 0.989,671 1.127,672 3.212,673 10.317,674 0.649,675 3.555,676 3.85,677 4.127,678 4.382,679 4.605,680 4.635,681 4.82,682 4.963,683 5.017,684 5.124,685 8.302,686 0.604,687 405.59,688 3.555,689 5.081,690 5.927,691 6.788,692 7.646,693 8.513,694 9.378,695 10.25,696 11.119,697 11.993,698 4.9,701 1,704 1,708 1,714 2,715 8,716 1,718 1,720 3,722 16,736 1,741 61,743 16,744 2,745 34,747 65,748 25,749 13,750 4,751 8,756 5,757 6,767 2,768 1,770 4,772 13,773 12,774 1,790 1,793 31,794 5,796 5,801 1,802 3,808 0.8,809 2,828 1,829 4,832 1,855 1,858 1,859 4,868 30,876 11,878 1,880 1,881 2,893 3.3,897 1,898 1,901 13.667,902 10.683,903 6.583,904 4.022,907 2.943,908 1.361,909 0.998,910 6.236,911 11.093,912 3.761,913 4.301,914 4.863,915 5.426,916 5.909,917 6.157,918 6.567,919 6.906,920 6.904,921 7.097,922 0.9,923 44,924 11.147,926 4.72,927 0.026,929 7.372,931 22.438,933 19.183,936 1.872,937 56.167,940 1,941 364.904,942 121.77,943 25.845,945 20.734,948 121.77,949 385.638,950 25.845,952 29.851,953 75.81,954 30.596,955 27.255,956 4.836,957 364.904,959 364.904,960 147.615,961 20.734,964 317.82,965 56.819,966 11,968 35.732,969 92.286,970 19.597,972 364.904,973 46.579,974 121.77,977 364.904,978 45.96,979 82.059,981 40.331,982 364.904,983 46.579,984 121.77,986 0.571,987 0.331,988 0.181,989 0.099,990 23,991 8,992 0.092,993 6,994 1,995 1.074,996 4.479,997 261.801,998 0.074,999 27,1000 135.207,1005 19.897,1006 9.403,1007 4.839,1008 2.084,1009 46.579,1010 17.345,1011 4.408,1013 5.688,1015 3.742,1018 533.253,1019 42,1031 60.33,1032 68.727,1034 0.236,1035 0.539,1036 0.75,1037 0.843,1038 0.851,1039 0.851,1040 4.99,1041 1.447,1042 5.872,1043 4.361,1044 4.533,1045 4.987,1046 1.598,1047 6.632,1048 4.468,1049 6.138,1050 1.415,1051 7.388,1052 3.746,1053 3.892,1054 4.605,1055 0.57,1056 7.402,1057 3.797,1058 7.409,1059 1.097,1060 9.004,1061 3.042,1062 6.071,1063 7.113,1064 1.256,1065 10.499,1066 5.951,1067 8.716,1068 1,1069 10.682,1070 2.659,1071 6.312,1072 7.691,1073 0.581,1074 12.157,1075 6.168,1076 10.064,1077 1,1078 12.401,1079 2.275,1080 7.884,1081 9.619,1082 1.023,1083 14.73,1084 7.718,1085 11.439,1086 1,1087 14.15,1088 2.136,1089 8.553,1090 10.672,1091 0.515,1092 16.76,1093 8.368,1094 12.838,1095 0.82,1096 15.921,1097 2.136,1098 9.858,1099 12.353,1100 0.84,1101 19.159,1102 9.653,1103 3.112,1104 0.489,1105 17.708,1106 1.923,1107 10.744,1108 13.642,1109 0.441,1110 21.351,1111 10.524,1112 2.766,1113 10.382,1114 19.508,1115 1.194,1116 11.929,1117 15.217,1118 0.689,1119 23.692,1120 11.692,1121 2.719,1122 8.96,1123 21.318,1124 4.505,1125 12.926,1126 16.62,1127 0.373,1128 25.956,1129 12.677,1130 2.469,1131 7.789,1132 23.137,1133 3.457,1134 14.061,1135 18.151,1136 0.564,1137 28.282,1138 13.798,1139 2.11,1140 6.971,1141 24.964,1142 3.334,1143 15.114,1144 19.607,1145 0.314,1146 30.579,1147 14.84,1148 1.966,1149 6.043,1150 26.796,1151 2.655,1152 16.231,1153 21.121,1154 0.461,1155 32.903,1156 15.946,1157 1.718,1158 5.785,1159 28.634,1160 2.537,1161 17.314,1162 22.602,1163 0.264,1164 35.217,1165 17.019,1166 13756,1167 19776,1168 24.038,1169 39.586,1170 50.522,1171 50.58,1172 50.522,1173 50.442,1174 50.39,1175 62.272,1176 5.498,1177 139.139,1178 48.705,1179 5.556,1180 5.221,1181 6.356,1182 5.201,1183 5.112,1184 7.505,1185 1.776,1186 17.18,1187 5.07,1189 1.486,1190 1.488,1191 1.486,1192 1.484,1193 1.482,1194 1.832,1195 0.162,1196 4.092,1197 1.433,1198 4.11,1199 4.131,1200 4.076,1201 3.998,1202 5.258,1203 4.011,1204 3.948,1205 3.992,1206 3.863,1207 3.864,1208 4.757,1209 3.859,1210 3.821,1211 3.869,1212 3.706,1213 3.716,1214 4.643,1215 3.705,1216 3.748,1217 3.799,1218 3.641,1219 3.533,1220 4.409,1221 3.551,1222 3.451,1223 3.517,1224 3.32,1225 3.296,1226 4.32,1227 3.292,1228 3.251,1229 3.304,1230 3.146,1231 3.069,1232 3.967,1233 3.075,1234 3.111,1235 3.206,1236 2.916,1237 2.941,1238 3.807,1239 2.91,1240 3.111,1241 3.206,1242 2.866,1243 2.941,1244 3.674,1245 2.91,1246 0.134,1247 0.095,1248 0.193,1249 0.121,1250 0.092,1251 4.556,1252 0.133,1253 3.221,1254 0.027,1255 6.554,1256 0.305,1257 4.098,1258 0.09,1259 3.112,1260 4.505,1261 0.916,1262 10.382,1263 3.07,1264 1.958,1265 1.932,1266 2.107,1267 2.075,1268 1.487,1269 2.088,1270 1.927,1271 1.893,1272 2.04,1273 2.049,1274 1.257,1275 2.047,1276 1.834,1277 1.785,1278 2.005,1279 1.953,1280 1.175,1281 1.975,1282 1.652,1283 1.598,1284 1.861,1285 1.857,1286 1.106,1287 1.86,1288 1.482,1289 1.424,1290 1.715,1291 1.705,1292 0.956,1293 1.703,1294 1.211,1295 1.15,1296 1.513,1297 1.45,1298 0.825,1299 1.442,1300 1.153,1301 1.064,1302 1.513,1303 1.376,1304 0.825,1305 1.429,1306 1.153,1307 1.064,1308 1.46,1309 1.376,1310 0.689,1311 1.429,1312 4.234,1314 5.533,1315 2.398,1316 7.031,1317 4.727,1318 8.611,1319 6.823,1320 10.233,1328 11.711,1330 5.458,1332 0.788,1333 4.943,1340 36.869,1341 85.344,1342 194.978,1343 271.51,1344 305.02,1345 307.775,1346 307.775,1347 38.242,1348 8.15,1349 41.74,1350 41.74,1351 29,1352 12.535,1353 4.087,1354 3.17,1355 42.036,1356 151,1357 142,1358 0.134,1359 221.496,1360 378.66,1361 532.209,1362 46899,1364 20.175,1365 0.673,1366 0.588,1367 20.175,1368 17.632,1369 14.848,1370 0.437,1371 0.333,1372 11.184,1373 14.309,1374 10.978,1375 9.005,1376 14.848,1377 11.323,1378 12.936,1379 0.281,1380 0.188,1381 12.936,1382 8.653,1383 11.215,1384 0.184,1385 0.109,1386 11.215,1387 6.652,1388 9.411,1389 0.119,1390 0.061,1391 9.411,1392 4.793,1393 7.75,1394 0.078,1395 0.035,1396 7.75,1397 3.507,1398 0.219,1399 92.64,1400 0.204,1401 29.246,1402 0.342,1403 160,1404 386.406,1405 172.638,1406 369.557,1407 518.53,1408 352,1409 187,1410 391.589,1411 201.415,1412 392.517,1413 573.16,1414 371,1415 9.099}
{0 CHEMBL94,1 1.514,2 7.75,3 2.35,4 5.524,5 78.396,6 6.717,7 0.273,8 3.811,9 3.945,10 3.3,11 3.266,12 4.816,13 3.246,14 4.409,15 4.62,16 3.729,17 3.718,18 5.388,19 3.681,20 4.633,21 4.819,22 3.818,23 3.946,24 5.555,25 3.871,26 4.866,27 5.121,28 3.687,29 3.998,30 5.726,31 3.871,32 4.763,33 5.016,34 3.449,35 3.87,36 5.622,37 3.691,38 4.702,39 5.028,40 3.158,41 3.561,42 5.427,43 3.364,44 4.18,45 4.441,46 3.031,47 3.147,48 5.135,49 3.041,50 3.974,51 4.207,52 2.834,53 2.9,54 5.134,55 2.842,56 0.016,57 0.61,58 9.777,59 3.564,60 7.208,61 5.272,62 0.409,63 0.992,64 19.073,65 5.869,66 31.708,67 8.999,68 0.14,69 1.233,70 23.144,71 8.368,72 23.071,73 12.233,74 0.385,75 1.359,76 30.467,77 9.499,78 41.884,79 14.547,80 0.212,81 1.182,82 26.912,83 9.705,84 33.769,85 14.401,86 0.382,87 0.907,88 26.666,89 8.094,90 39.734,91 12.487,92 0.242,93 0.597,94 15.636,95 4.565,96 23.857,97 6.893,98 0.339,99 0.486,100 13.163,101 2.863,102 35.661,103 4.506,104 29,105 34,106 0.273,107 0.597,108 0.78,109 0.863,110 0.863,111 0.863,112 3.06,113 0.947,114 -3.1,115 -3.1,116 -2.98,121 36.6,122 1,123 1,125 1,126 3,127 1,130 1,144 3,145 1,146 2,161 1,176 5,179 2,180 7,183 2,187 6,192 8,200 5,206 5,211 2,214 3,218 1,219 5,224 2,227 2,231 1,232 1,237 1,243 1,244 2,247 1,249 2,255 1,259 1,281 440,282 13.126,283 13.126,284 13.126,285 13.126,286 13.126,287 12.31,288 21.635,289 7.283,290 13.514,291 10.727,292 10.727,293 10.727,294 10.727,295 10.727,296 9.338,297 28.989,298 3.333,299 11.293,300 3.844,301 2.043,302 1.025,303 0.561,304 0.561,305 0.561,306 3.727,310 1,311 1,312 1,313 330,314 3.317,317 66.943,318 39.192,320 54.145,321 59.02,324 81.997,325 1.2,326 14.981,327 1,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 43.5,338 155,339 4.832,340 3.973,341 8.006,342 4.714,343 3.737,344 4.206,345 2.186,346 15.306,347 3.657,348 3.981,349 3.658,350 6.211,351 3.638,352 2.687,353 3.318,354 0.966,355 8.828,356 2.558,357 3.674,358 2.82,359 6.169,360 3.396,361 2.456,362 2.879,363 0.693,364 8.458,365 2.29,366 3.471,367 2.742,368 5.444,369 3.295,370 2.362,371 2.592,372 0.366,373 7.152,374 2.188,375 3.297,376 2.505,377 4.838,378 2.95,379 1.988,380 2.419,382 5.281,383 1.895,384 2.616,385 1.746,386 4.67,387 2.42,388 1.476,389 1.63,391 4.351,392 1.388,393 2.518,394 1.171,395 4.214,396 2.128,397 1.134,398 1.523,400 3.06,401 1.126,402 1.787,403 1.106,404 3.723,405 1.698,406 0.735,407 0.765,409 1.826,410 0.705,411 1.507,412 0.915,413 3.088,414 1.304,415 0.39,416 0.414,418 0.594,419 0.352,420 1.224,421 0.653,422 2.931,423 0.834,424 -0.136,425 -0.165,427 -0.306,428 -0.13,429 0.762,430 -0.015,431 2.582,432 0.638,433 -0.304,434 -0.319,436 -0.747,437 -0.285,438 0.665,439 -0.171,440 2.427,441 0.308,442 -0.679,443 -0.834,445 -1.876,446 -0.662,447 0.524,448 -0.587,449 2.277,450 0.083,451 -0.908,452 -1,454 -2.679,455 -0.893,457 -0.792,458 2.139,459 -0.049,460 -1,461 -1.234,463 -2.804,464 -0.946,465 -0.169,466 -0.875,467 1.891,468 -0.397,469 -1.363,470 -1.524,472 -3.083,473 -1.31,474 9.367,475 0.468,476 0.703,477 0.035,478 22.25,479 1.113,480 8.5,481 0.425,482 13.75,483 0.688,484 18.124,485 0.906,486 23.033,487 0.562,488 15.515,489 0.776,490 4.311,491 0.216,492 5.158,493 0.258,494 0.249,495 0.053,496 0.352,501 0.824,502 1.668,503 0.864,504 1.326,505 0.62,506 1.126,507 0.754,508 0.752,509 0.782,510 0.669,511 0.394,512 0.696,513 0.943,514 1.408,515 1.045,516 1.298,517 0.67,518 1.207,519 1.121,520 0.926,521 1.134,522 0.971,523 0.868,524 1.033,525 0.644,526 1.282,527 1.12,528 1.415,529 0.779,530 1.36,531 0.871,532 0.709,533 0.737,534 0.748,535 0.737,536 0.738,537 1.197,538 1.068,539 0.921,540 1.041,541 1.211,542 0.97,543 2.297,544 0.873,545 1.406,546 0.821,547 3.215,548 0.961,549 5.5,551 3.556,552 3.146,553 1.246,554 0.646,555 0.471,556 0.297,557 0.168,558 0.045,559 3227,560 7706,561 2.007,562 51.2,563 3,564 14,565 1,567 1,569 2,572 1.622,573 1.805,574 2.896,575 -0.271,577 1,579 1,582 62.063,583 1.514,584 3.315,585 4.332,586 4.796,587 4.796,588 4.796,589 2.423,590 4.022,591 4.289,592 3.025,593 574.662,594 7.351,595 5586.97,596 1,597 1,599 1,600 219.66,601 1.776,602 4.203,603 0.25,605 0.105,606 0.087,607 0.042,608 0.031,609 0.029,610 0.021,611 0.015,612 0.009,613 0.589,614 0.83,615 1,616 1.364,617 86.168,618 -0.017,619 -0.349,620 0.079,621 -0.148,622 -0.045,623 -0.039,624 0.242,625 0.439,626 0.21,627 0.346,628 0.24,629 0.293,630 -0.084,631 -0.253,632 -0.101,633 -0.18,634 0.009,635 -0.151,636 -0.186,637 0.099,638 -0.165,639 0.012,640 -0.049,641 -0.056,642 0.047,643 -0.304,644 -0.2,645 -0.369,646 -0.042,647 -0.331,648 0.079,649 0.052,650 0.239,651 0.158,652 0.013,653 0.213,654 0.091,655 -0.18,656 0.096,657 -0.106,658 0.036,659 -0.028,660 -0.287,661 0.092,662 -0.282,663 0.004,664 -0.337,665 -0.127,666 2.096,667 4.353,668 0.6,669 13.5,670 0.998,671 1.138,672 1.869,673 3.493,674 0.629,675 3.135,676 3.555,677 3.912,678 4.263,679 4.466,680 4.564,681 4.754,682 4.804,683 4.71,684 4.615,685 4.564,686 0.591,687 275.39,688 3.135,689 4.727,690 5.631,691 6.578,692 7.509,693 8.466,694 9.411,695 10.372,696 11.325,697 12.289,698 7.3,701 1,704 1,705 1,715 3,720 3,722 6,736 1,737 1,741 41,743 7,744 1,745 22,747 43,748 15,749 6,750 3,751 3,756 3,757 6,763 1,764 1,766 1,767 1,770 1,772 7,773 8,777 1,782 1,786 1,789 1,790 1,793 21,794 5,795 1,796 5,802 3,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 4,868 20,876 2,877 1,878 1,880 1,881 2,882 1,893 4.9,896 1,898 1,901 11.083,902 8.567,903 4.319,904 2.399,907 1.322,908 1.191,909 0.934,910 3.179,911 8.23,912 3.296,913 3.861,914 4.385,915 4.93,916 5.417,917 5.674,918 6.04,919 6.273,920 6.285,921 6.221,922 1,923 36,924 7.403,926 3.149,927 0.026,929 7.663,931 14.401,933 12.196,936 2.163,937 43.25,938 0.001,941 235.422,942 85.032,943 24.259,945 36.145,948 85.032,949 271.567,950 24.259,951 34.014,952 22.651,953 28.429,954 25.145,955 28.434,956 18.534,957 223.651,959 235.422,960 109.291,961 36.145,964 211.88,965 59.687,968 34.601,969 74.69,972 235.422,973 60.404,974 85.032,977 235.422,978 22.588,979 68.692,980 18.011,981 36.145,982 235.422,983 60.404,984 85.032,986 0.603,987 0.374,988 0.203,989 0.107,990 19,991 9,992 0.047,993 2,994 2,995 1.333,996 3.052,997 161.667,998 0.333,999 12,1000 86.439,1005 13.711,1006 4.638,1007 1.935,1009 60.404,1010 5.917,1015 3.108,1017 18.011,1018 380.858,1019 26,1024 11.353,1028 -0.429,1031 40.912,1032 46.651,1034 0.283,1035 0.619,1036 0.809,1037 0.895,1038 0.895,1039 0.895,1040 4.62,1041 0.735,1042 5.707,1043 3.06,1044 4.234,1045 4.543,1046 2.466,1047 6.693,1048 4.142,1049 5.85,1050 0.39,1051 7.388,1052 1.826,1053 4.205,1054 4.559,1055 1.905,1056 8.162,1057 4.094,1058 7.208,1059 -0.136,1060 9.187,1061 0.594,1062 6.043,1063 6.66,1064 3.531,1065 11.337,1066 5.888,1067 8.603,1068 -0.304,1069 11.06,1070 -0.306,1071 6.825,1072 7.43,1073 3.612,1074 13.665,1075 6.668,1076 10.036,1077 -0.679,1078 12.984,1079 -0.747,1080 8.256,1081 9.119,1082 4.913,1083 16.498,1084 8.071,1085 11.496,1086 -0.908,1087 14.946,1088 -1.876,1089 9.371,1090 10.225,1091 5.293,1092 19.111,1093 9.183,1094 12.977,1095 -1,1096 16.935,1097 -2.679,1098 10.699,1099 11.768,1100 6.388,1101 21.864,1102 10.491,1103 3.737,1104 -1.363,1105 18.946,1106 -2.804,1107 11.942,1108 13.036,1109 6.931,1110 24.559,1111 11.723,1112 2.687,1113 15.306,1114 20.973,1115 -3.083,1116 13.251,1117 14.519,1118 7.902,1119 27.294,1120 13.015,1121 2.456,1122 8.828,1123 23.013,1124 4.206,1125 14.54,1126 15.868,1127 8.539,1128 30.013,1129 14.288,1130 2.362,1131 8.458,1132 25.062,1133 3.318,1134 15.85,1135 17.326,1136 9.436,1137 32.743,1138 15.58,1139 1.988,1140 7.152,1141 27.119,1142 2.879,1143 17.157,1144 18.716,1145 10.13,1146 35.468,1147 16.867,1148 1.476,1149 5.281,1150 29.181,1151 2.592,1152 18.47,1153 20.161,1154 10.981,1155 38.197,1156 18.161,1157 1.134,1158 4.351,1159 31.247,1160 2.419,1161 19.783,1162 21.573,1163 11.71,1164 40.924,1165 19.454,1166 3288,1167 5165,1168 13.929,1169 25.779,1170 34.178,1171 35.306,1172 37.092,1173 33.903,1174 33.929,1175 39.492,1176 8.422,1177 109.713,1178 32.32,1179 5.797,1180 5.973,1181 7.557,1182 5.778,1183 5.737,1184 7.206,1185 3.889,1186 23.813,1187 5.657,1188 11.799,1189 1.554,1190 1.605,1191 1.686,1192 1.541,1193 1.542,1194 1.795,1195 0.383,1196 4.987,1197 1.469,1198 4.089,1199 4.128,1200 4.037,1201 3.994,1202 7.435,1203 3.999,1204 3.71,1205 3.751,1206 3.631,1207 3.564,1208 4.834,1209 3.569,1210 3.517,1211 3.584,1212 3.422,1213 3.21,1214 4.454,1215 3.255,1216 3.291,1217 3.388,1218 3.117,1219 3.061,1220 4.224,1221 3.06,1222 3.243,1223 3.339,1224 3.041,1225 3.035,1226 4.05,1227 3.024,1228 2.976,1229 3.093,1230 2.77,1231 2.762,1232 3.897,1233 2.729,1234 2.969,1235 3.014,1236 2.679,1237 2.697,1238 3.815,1239 2.698,1240 2.775,1241 2.849,1242 2.583,1243 2.611,1244 3.497,1245 2.599,1246 0.22,1247 0.181,1248 0.364,1249 0.214,1250 0.17,1251 4.832,1252 0.191,1253 3.973,1254 0.099,1255 8.006,1256 0.696,1257 4.714,1258 0.166,1259 3.737,1260 4.206,1261 2.186,1262 15.306,1263 3.657,1264 1.903,1265 1.884,1266 2.004,1267 1.995,1268 1.31,1269 1.995,1270 1.633,1271 1.578,1272 1.833,1273 1.836,1274 1.058,1275 1.837,1276 1.535,1277 1.455,1278 1.788,1279 1.772,1280 1.013,1281 1.781,1282 1.4,1283 1.327,1284 1.69,1285 1.717,1286 0.683,1287 1.712,1288 1.22,1289 1.124,1290 1.577,1291 1.488,1292 0.642,1293 1.522,1294 1.014,1295 0.899,1296 1.453,1297 1.291,1298 0.563,1299 1.354,1300 0.878,1301 0.833,1302 1.177,1303 1.209,1304 0.347,1305 1.176,1306 0.797,1307 0.727,1308 1.077,1309 1.041,1310 0.15,1311 1.091,1312 3.807,1314 5.198,1315 3.045,1316 6.792,1317 5.638,1318 8.486,1319 7.921,1320 10.242,1322 8.163,1328 2.209,1329 2.473,1330 5.262,1332 0.382,1333 4.714,1334 0.098,1340 24.235,1341 62.063,1342 135.908,1343 177.621,1344 196.64,1345 196.64,1346 196.64,1347 28.295,1348 6.908,1349 44.81,1350 44.81,1351 16,1352 12.771,1353 3,1354 2.322,1355 29.875,1356 54,1357 64,1358 0.29,1359 149.141,1360 260.1,1361 355.664,1362 7381,1364 14.491,1365 0.725,1366 0.622,1367 14.491,1368 12.435,1369 9.469,1370 0.43,1371 0.316,1372 6.811,1373 8.995,1374 6.493,1375 5.434,1376 9.469,1377 6.943,1378 9.105,1379 0.268,1380 0.175,1381 9.105,1382 5.951,1383 8.047,1384 0.164,1385 0.096,1386 8.047,1387 4.716,1388 6.971,1389 0.1,1390 0.054,1391 6.971,1392 3.777,1393 5.42,1394 0.063,1395 0.029,1396 5.42,1397 2.527,1398 0.431,1399 60.049,1400 0.268,1401 19.279,1402 0.867,1403 112,1404 299.094,1405 124.692,1406 284.125,1407 392.55,1408 266,1409 139,1410 296.247,1411 151.976,1412 300.356,1413 445.67,1414 279,1415 7.516}
{0 CHEMBL94054,1 1.284,2 14.69,3 5.654,4 31.968,5 123.636,6 6.552,7 0.563,8 4.141,9 4.281,10 3.613,11 3.715,12 5.111,13 3.656,14 4.697,15 4.898,16 3.914,17 4.111,18 5.559,19 4.018,20 4.995,21 5.242,22 3.946,23 4.258,24 5.776,25 4.118,26 5.084,27 5.375,28 3.804,29 4.203,30 5.799,31 4.033,32 5.003,33 5.3,34 3.747,35 4.129,36 5.723,37 3.968,38 4.899,39 5.176,40 3.664,41 4.084,42 5.628,43 3.915,44 4.862,45 5.15,46 3.568,47 4.012,48 5.554,49 3.831,50 4.759,51 5.043,52 3.441,53 3.905,54 5.475,55 3.722,56 0.092,57 0.862,58 13.685,59 5.626,60 11.569,61 8.068,62 0.185,63 1.413,64 24.516,65 9.312,66 18.913,67 13.706,68 0.24,69 1.782,70 33.403,71 12.564,72 27.875,73 18.663,74 0.294,75 1.85,76 37.145,77 12.864,78 32.258,79 19.646,80 0.289,81 1.702,82 34.349,83 11.751,84 31.308,85 17.988,86 0.25,87 1.549,88 30.586,89 11.299,90 26.945,91 16.861,92 0.201,93 1.459,94 29.438,95 11.019,96 24.116,97 16.465,98 0.227,99 1.332,100 26.668,101 9.702,102 24.013,103 14.546,104 2,105 42,106 0.209,107 0.503,108 0.675,109 0.775,110 0.822,111 0.828,112 3.407,113 1.001,114 -6.16,115 -6,116 -5.58,121 42.4,122 1,123 3,124 1,127 4,144 11,145 3,148 1,149 1,168 1,176 17,180 6,183 1,185 2,187 17,192 9,195 1,197 3,200 9,206 9,211 2,214 8,219 6,224 1,227 13,232 4,235 1,237 2,239 14,244 2,249 2,251 12,255 1,256 1,261 2,264 6,268 1,269 2,274 2,277 7,281 1414,282 20.137,283 20.137,284 20.137,285 20.137,286 20.137,287 17.921,288 18.726,289 12.334,290 20.379,291 15.848,292 15.848,293 15.848,294 15.848,295 15.848,296 12.7,297 24.938,298 5.927,299 16.23,300 4.598,301 2.791,302 1.73,303 1.115,304 0.826,305 0.792,306 4.111,312 1,313 935,314 2.739,318 441.397,325 2.369,326 11.312,329 0.75,330 0.83,331 1,332 0.8,333 0.5,334 1,335 1,336 0.84,337 60,338 426,339 4.335,340 3.054,341 6.234,342 3.939,343 2.962,344 4.012,345 0.916,346 9.347,347 2.895,348 3.964,349 3.017,350 5.918,351 3.69,352 2.727,353 3.491,354 0.4,355 8.236,356 2.635,357 3.94,358 2.7,359 5.616,360 3.586,361 2.612,362 3.457,363 0.172,364 7.788,365 2.543,366 3.604,367 2.561,368 5.33,369 3.465,370 2.467,371 2.643,373 6.947,374 2.462,375 3.279,376 2.245,377 4.954,378 3.038,379 2.085,380 2.608,382 5.867,383 1.977,384 3.177,385 1.882,386 4.503,387 2.802,388 1.822,389 2.245,391 4.623,392 1.783,393 2.863,394 1.739,395 4.173,396 2.499,397 1.532,398 1.992,400 3.792,401 1.479,402 2.82,403 1.519,404 3.598,405 2.413,406 1.42,407 1.923,409 3.048,410 1.408,411 2.652,412 1.288,413 3.523,414 2.195,415 1.219,416 1.72,418 2.748,419 1.188,420 2.5,421 1.101,422 3.436,423 2.023,424 1.05,425 1.5,427 2.445,428 1.02,429 2.5,430 1.077,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.227,439 1,440 3.247,441 2,442 1,443 1.204,445 2.136,446 1,447 2,448 1,449 3.247,450 1.984,451 1,452 1,454 2.136,455 0.983,456 1.479,457 0.483,458 2.925,459 1.303,460 0.332,461 0.366,463 0.8,464 0.322,465 1.224,466 0.266,467 2.703,468 1.017,469 0.043,470 0.048,472 0.105,473 0.042,474 14.1,475 0.486,476 0.482,477 0.017,478 36.25,479 1.25,480 18.5,481 0.638,482 17.75,483 0.612,484 25.306,485 0.873,486 30.9,487 0.524,488 23.482,489 0.81,490 6.951,491 0.24,492 7.325,493 0.253,494 0.035,496 0.241,501 0.83,502 1.226,503 0.918,504 1.087,505 0.774,506 1.023,507 1.16,508 1.142,509 1.039,510 1.061,511 0.795,512 1.044,513 1.01,514 1.183,515 1.053,516 1.126,517 0.813,518 1.099,519 1.308,520 1.027,521 1.032,522 0.965,523 1.063,524 0.975,525 1.389,526 0.888,527 0.982,528 0.842,529 1.18,530 0.873,531 1.123,532 0.961,533 1.068,534 1.004,535 1.158,536 1.027,537 0.984,538 1.007,539 0.996,540 1.004,541 1.078,542 1.002,543 1.168,544 0.986,545 1.114,546 1.039,547 1.31,548 1.066,549 4.5,550 0.074,551 2.444,552 1.063,553 1.018,554 0.611,555 0.544,556 0.241,557 0.139,558 0.149,559 13744,560 27533,561 2.154,562 50.8,563 4,564 19,567 1,569 6,572 1.71,573 2.096,574 3.813,575 -0.439,582 75.773,583 1.284,584 3.092,585 4.152,586 4.768,587 5.056,588 5.09,589 3.246,590 4.211,591 4.829,592 4.002,593 1624.62,594 8.356,595 24082.6,600 347.076,601 1,602 4.824,603 0.141,604 0.004,605 0.058,606 0.026,607 0.03,608 0.019,609 0.018,610 0.009,611 0.006,612 0.007,613 0.318,614 0.33,615 0.88,616 0.335,617 152.889,618 0.183,619 -0.036,620 0.069,621 -0.008,622 0.172,623 0.016,624 -0.004,625 -0.025,626 -0.043,627 -0.043,628 0.096,629 -0.045,630 0.037,631 -0.157,632 -0.066,633 -0.134,634 0.113,635 -0.113,636 -0.089,637 -0.046,638 -0.03,639 -0.024,640 0.001,641 -0.023,642 -0.125,643 0.095,644 0.024,645 0.093,646 -0.061,647 0.074,648 -0.055,649 0.026,650 -0.08,651 -0.035,652 -0.147,653 -0.055,654 -0.031,655 -0.056,656 -0.016,657 -0.031,658 -0.094,659 -0.024,660 -0.064,661 -0.007,662 -0.123,663 -0.081,664 -0.224,665 -0.102,666 0.758,667 1.427,668 0.828,669 35.786,670 0.981,671 1.125,672 4.927,673 24.271,674 0.66,675 3.497,676 3.761,677 3.989,678 4.19,679 4.407,680 4.344,681 4.454,682 4.5,683 4.543,684 4.605,685 8.452,686 0.609,687 386.59,688 3.497,689 5.004,690 5.826,691 6.666,692 7.499,693 8.343,694 9.181,695 10.026,696 10.867,697 11.713,698 6.8,701 1,703 1,708 2,715 11,716 2,720 5,722 18,734 1,741 59,743 18,744 2,745 32,747 62,748 25,749 16,750 2,751 10,756 4,757 4,763 1,767 2,768 1,770 3,772 16,773 9,774 1,793 30,794 4,795 1,796 4,802 4,808 1,821 1,829 4,855 1,859 4,864 1,868 29,876 7,877 1,880 1,881 1,901 13.833,902 10.6,903 6.472,904 3.766,907 2.91,908 1.386,909 0.988,910 6.662,911 10.452,912 3.738,913 4.256,914 4.76,915 5.256,916 5.769,917 5.781,918 6.123,919 6.379,920 6.608,921 6.781,922 0.9,923 41,924 10.727,926 4.421,927 0.026,929 7.385,931 21.434,933 17.754,936 1.885,937 54.667,941 341.362,942 143.732,943 54.461,948 143.732,949 341.362,950 54.461,951 8.825,952 16.026,953 104.239,954 51.337,955 15.438,956 2.328,957 341.362,959 341.362,960 198.193,964 270.735,965 70.627,968 30.733,969 116.123,970 51.337,972 341.362,973 54.461,974 143.732,977 341.362,978 30.668,979 116.188,980 18.011,981 33.326,982 341.362,983 54.461,984 143.732,986 0.566,987 0.323,988 0.172,989 0.095,990 19,991 7,992 0.113,993 7,995 1,996 4.379,997 236.625,999 24,1000 128.881,1005 19.757,1006 9.779,1007 5.501,1009 54.461,1010 23.137,1011 8.833,1015 5.514,1017 18.011,1018 539.555,1019 41,1031 57.894,1032 66.391,1034 0.218,1035 0.526,1036 0.706,1037 0.81,1038 0.86,1039 0.865,1040 4.938,1041 1.42,1042 5.759,1043 3.792,1044 4.443,1045 4.942,1046 1.038,1047 6.475,1048 4.396,1049 6.084,1050 1.219,1051 7.252,1052 3.048,1053 3.761,1054 4.388,1055 0.325,1056 7.154,1057 3.68,1058 7.338,1059 1.05,1060 8.843,1061 2.748,1062 5.943,1063 6.996,1064 0.697,1065 10.218,1066 5.847,1067 8.624,1068 1,1069 10.494,1070 2.445,1071 6.111,1072 7.29,1073 0.393,1074 11.747,1075 5.981,1076 9.944,1077 1,1078 12.184,1079 2.275,1080 7.698,1081 9.337,1082 0.537,1083 14.274,1084 7.553,1085 11.286,1086 1,1087 13.9,1088 2.136,1089 8.285,1090 10.067,1091 0.384,1092 16.16,1093 8.108,1094 12.648,1095 0.332,1096 15.636,1097 2.136,1098 9.592,1099 11.831,1100 0.438,1101 18.488,1102 9.4,1103 2.962,1104 0.043,1105 17.385,1106 0.8,1107 10.399,1108 12.812,1109 0.351,1110 20.539,1111 10.176,1112 2.727,1113 9.347,1114 19.145,1115 0.105,1116 11.571,1117 14.413,1118 0.366,1119 22.79,1120 11.329,1121 2.612,1122 8.236,1123 20.913,1124 4.012,1125 12.495,1126 15.547,1127 0.312,1128 24.921,1129 12.224,1130 2.467,1131 7.788,1132 22.688,1133 3.491,1134 13.603,1135 17.053,1136 0.309,1137 27.145,1138 13.312,1139 2.085,1140 6.947,1141 24.467,1142 3.457,1143 14.59,1144 18.281,1145 0.273,1146 29.317,1147 14.271,1148 1.822,1149 5.867,1150 26.252,1151 2.643,1152 15.668,1153 19.731,1154 0.262,1155 31.533,1156 15.328,1157 1.532,1158 4.623,1159 28.04,1160 2.608,1161 16.69,1162 21.018,1163 0.236,1164 33.727,1165 16.323,1166 12759,1167 18194,1168 22.246,1169 38.921,1170 46.81,1171 46.713,1172 46.892,1173 46.566,1174 46.542,1175 59.417,1176 2.978,1177 124.582,1178 45.468,1179 5.335,1180 5.054,1181 6.036,1182 4.981,1183 4.962,1184 7.012,1185 1.605,1186 15.748,1187 4.895,1188 6.977,1189 1.463,1190 1.46,1191 1.465,1192 1.455,1193 1.454,1194 1.857,1195 0.093,1196 3.893,1197 1.421,1198 4.007,1199 4.051,1200 3.949,1201 3.917,1202 5.044,1203 3.918,1204 3.939,1205 3.981,1206 3.86,1207 3.86,1208 4.756,1209 3.855,1210 3.83,1211 3.876,1212 3.723,1213 3.729,1214 4.7,1215 3.72,1216 3.747,1217 3.795,1218 3.668,1219 3.634,1220 4.335,1221 3.638,1222 3.454,1223 3.534,1224 3.304,1225 3.268,1226 4.135,1227 3.265,1228 3.169,1229 3.251,1230 3.025,1231 3.006,1232 4.016,1233 2.999,1234 3.111,1235 3.206,1236 2.929,1237 2.941,1238 3.811,1239 2.923,1240 3.106,1241 3.199,1242 2.866,1243 2.936,1244 3.676,1245 2.91,1246 0.135,1247 0.095,1248 0.195,1249 0.123,1250 0.093,1251 4.335,1252 0.125,1253 3.054,1254 0.029,1255 6.234,1256 0.292,1257 3.939,1258 0.09,1259 2.962,1260 4.012,1261 0.916,1262 9.347,1263 2.895,1264 1.951,1265 1.921,1266 2.102,1267 2.076,1268 1.481,1269 2.086,1270 1.932,1271 1.896,1272 2.049,1273 2.045,1274 1.167,1275 2.047,1276 1.84,1277 1.791,1278 2.013,1279 1.954,1280 1.133,1281 1.976,1282 1.726,1283 1.683,1284 1.874,1285 1.869,1286 1.014,1287 1.876,1288 1.441,1289 1.363,1290 1.709,1291 1.659,1292 0.919,1293 1.68,1294 1.167,1295 1.093,1296 1.513,1297 1.391,1298 0.825,1299 1.429,1300 1.153,1301 1.064,1302 1.457,1303 1.376,1304 0.678,1305 1.419,1306 1.103,1307 1.026,1308 1.396,1309 1.346,1310 0.449,1311 1.37,1312 4.174,1314 5.451,1316 6.927,1318 8.485,1320 10.082,1322 2.103,1328 8.2,1329 3.503,1332 0.798,1333 2.581,1340 35.934,1341 75.773,1342 182.4,1343 244.983,1344 281.302,1345 298.321,1346 300.321,1347 38.177,1348 7.542,1349 41.05,1350 41.05,1351 24,1352 12.275,1353 4.248,1354 3.322,1355 45.238,1356 150,1357 132,1358 0.144,1359 221.836,1360 379.16,1361 533.04,1362 22632,1364 19.891,1365 0.686,1366 0.594,1367 19.891,1368 17.22,1369 14.276,1370 0.446,1371 0.334,1372 10.596,1373 13.975,1374 10.307,1375 8.599,1376 14.276,1377 10.676,1378 12.266,1379 0.292,1380 0.192,1381 12.266,1382 8.048,1383 10.249,1384 0.193,1385 0.11,1386 10.249,1387 5.855,1388 8.282,1389 0.127,1390 0.063,1391 8.282,1392 4.079,1393 6.793,1394 0.084,1395 0.036,1396 6.793,1397 2.952,1398 0.238,1399 87.631,1400 0.212,1401 28.659,1402 0.363,1403 148,1404 321.268,1405 155.299,1406 325.403,1407 458.73,1408 308,1409 169,1410 347.265,1411 177.604,1412 357.81,1413 514.3,1414 337,1415 6.495}
{0 CHEMBL94059,1 1.425,2 11.667,3 4.279,4 18.31,5 95.485,6 7.01,7 0.593,8 3.929,9 4.042,10 3.468,11 3.482,12 4.939,13 3.45,14 4.491,15 4.661,16 3.785,17 3.88,18 5.41,19 3.821,20 4.761,21 4.984,22 3.769,23 3.984,24 5.583,25 3.871,26 4.83,27 5.103,28 3.577,29 3.874,30 5.57,31 3.734,32 4.646,33 4.912,34 3.447,35 3.746,36 5.388,37 3.616,38 4.502,39 4.729,40 3.44,41 3.769,42 5.274,43 3.634,44 4.604,45 4.863,46 3.352,47 3.741,48 5.346,49 3.583,50 4.428,51 4.687,52 3.172,53 3.554,54 5.175,55 3.387,56 0.075,57 0.638,58 10.211,59 4.513,60 8.389,61 5.971,62 0.188,63 1.073,64 19.23,65 7.438,66 17.528,67 10.105,68 0.277,69 1.317,70 26.362,71 10.075,72 23.945,73 14.056,74 0.319,75 1.337,76 29.875,77 10.188,78 29.112,79 14.51,80 0.373,81 1.111,82 24.911,83 8.458,84 26.889,85 11.917,86 0.141,87 1.033,88 20.048,89 7.958,90 15.334,91 11.157,92 0.256,93 1.079,94 23.297,95 8.72,96 23.334,97 12.176,98 0.206,99 0.895,100 19.416,101 7.429,102 19.445,103 10.477,105 36,106 0.244,107 0.54,108 0.7,109 0.792,110 0.828,111 0.828,112 3.227,113 0.958,114 -4.97,115 -4.87,116 -4.57,121 43.5,123 2,124 1,127 4,144 9,145 2,149 1,154 1,168 1,176 12,179 1,180 8,187 11,191 1,192 10,200 5,206 8,214 3,218 1,219 5,227 8,232 2,239 10,243 1,244 2,251 9,255 1,256 3,264 3,269 5,277 1,281 806,282 16.861,283 16.861,284 16.861,285 16.861,286 16.861,287 14.953,288 15.618,289 10.268,290 17.117,291 13.381,292 13.381,293 13.381,294 13.381,295 13.381,296 10.634,297 19.043,298 4.933,299 13.797,300 4.099,301 2.373,302 1.438,303 0.905,304 0.696,305 0.696,306 3.935,311 1,312 1,313 626,314 2.449,317 55.262,318 229.149,321 103.405,325 1.972,326 12.947,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 51,338 280,339 4.524,340 3.2,341 6.526,342 4.037,343 3.063,344 4.473,345 0.916,346 10.265,347 2.987,348 3.941,349 3.017,350 5.617,351 3.686,352 2.724,353 3.457,354 0.86,355 7.789,356 2.625,357 3.615,358 2.611,359 5.344,360 3.464,361 2.472,362 2.785,363 0.172,364 6.973,365 2.451,366 3.407,367 2.388,368 5.116,369 3.055,370 2.118,371 2.615,373 6.035,374 1.976,375 3.152,376 2.115,377 4.944,378 2.904,379 1.953,380 2.318,382 5.771,383 1.847,384 3.046,385 1.546,386 4.185,387 2.544,388 1.546,389 2.229,391 3.763,392 1.543,393 2.823,394 1.524,395 3.602,396 2.416,397 1.422,398 1.925,400 3.044,401 1.412,402 2.648,403 1.352,404 3.586,405 2.173,406 1.204,407 1.713,409 2.814,410 1.16,411 2.5,412 1.077,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.155,421 1.028,422 3.286,423 1.984,424 1,425 1.042,427 2.136,428 0.983,429 2,430 1,431 3.247,432 1.757,433 0.819,434 1,436 1.896,437 0.761,438 1.702,439 0.591,440 3.018,441 1.426,442 0.462,443 0.568,445 1.09,446 0.443,447 1.219,448 0.312,449 2.77,450 1.008,451 0.057,452 0.064,454 0.143,455 0.054,456 0.779,457 -0.267,458 2.243,459 0.508,460 -0.464,461 -0.532,463 -1.099,464 -0.449,465 0.66,466 -0.547,467 2,468 0.201,469 -0.774,470 -0.965,472 -1.812,473 -0.743,474 11.467,475 0.478,476 0.376,477 0.016,478 30,479 1.25,480 14.5,481 0.604,482 15.5,483 0.646,484 18.826,485 0.784,486 25.733,487 0.559,488 18.311,489 0.763,490 5.863,491 0.244,492 6.019,493 0.251,496 0.253,501 0.715,502 1.232,503 0.808,504 1.107,505 0.653,506 0.993,507 1.071,508 1.113,509 1.007,510 1.055,511 0.863,512 1.021,513 0.841,514 1.179,515 1.009,516 1.156,517 0.711,518 1.111,519 1.233,520 0.971,521 0.999,522 0.933,523 1.071,524 0.934,525 1.345,526 0.741,527 1.01,528 0.745,529 1.277,530 0.821,531 0.797,532 1.118,533 1.103,534 1.158,535 1.067,536 1.163,537 1.043,538 0.916,539 1.08,540 1.005,541 1.2,542 1.045,543 0.827,544 1.076,545 1.028,546 1.105,547 0.937,548 1.104,549 3.5,550 0.062,551 2,552 0.979,553 0.716,554 0.306,555 0.331,556 0.205,557 0.083,558 0.093,559 7924,560 17671,561 2.213,562 47.8,564 17,569 5,572 1.66,573 2.182,574 3.5,575 -0.823,577 1,582 65.538,583 1.425,584 3.15,585 4.086,586 4.619,587 4.828,588 4.828,589 2.924,590 4.168,591 4.558,592 3.673,593 1013.63,594 7.817,595 12529.9,597 1,599 1,600 254.084,601 0.811,602 4.56,603 0.13,604 0.005,605 0.056,606 0.03,607 0.028,608 0.013,609 0.014,610 0.01,611 0.005,612 0.007,613 0.295,614 0.33,615 1,617 117.023,618 0.167,619 -0.091,620 0.093,621 -0.046,622 0.199,623 0.001,624 -0.015,625 -0.014,626 -0.057,627 -0.056,628 0.054,629 -0.059,630 0.116,631 -0.187,632 -0.043,633 -0.17,634 0.176,635 -0.131,636 -0.082,637 -0.03,638 0.02,639 0.004,640 0.001,641 0.023,642 -0.104,643 0.211,644 0.015,645 0.195,646 -0.158,647 0.132,648 -0.068,649 -0.113,650 -0.164,651 -0.16,652 -0.22,653 -0.17,654 -0.068,655 0.027,656 -0.095,657 -0.033,658 -0.194,659 -0.064,660 0.063,661 -0.154,662 -0.053,663 -0.122,664 -0.036,665 -0.111,666 1.044,667 2.429,668 0.875,669 22.75,670 0.993,671 1.121,672 3.736,673 13.96,674 0.664,675 3.332,676 3.611,677 3.871,678 4.111,679 4.29,680 4.234,681 4.344,682 4.466,683 4.443,684 4.533,685 6.862,686 0.625,687 322.44,688 3.332,689 4.844,690 5.68,691 6.532,692 7.381,693 8.238,694 9.091,695 9.951,696 10.807,697 11.668,698 4.3,701 1,708 1,714 2,715 9,716 1,718 1,720 2,722 16,739 1,741 46,743 16,744 2,745 27,747 49,748 20,749 13,750 3,751 9,756 4,757 5,767 2,768 1,770 2,772 13,773 7,774 1,790 1,793 22,794 4,796 4,801 1,802 2,808 0.75,809 2,828 1,829 3,832 1,855 1,859 3,868 24,876 6,878 1,880 1,881 1,893 4.3,898 2,901 11,902 8.067,903 5.306,904 2.911,907 2.869,908 1.393,909 0.994,910 4.7,911 10.176,912 3.584,913 4.139,914 4.708,915 5.269,916 5.703,917 5.794,918 6.111,919 6.416,920 6.117,921 6.287,922 0.875,923 33,924 8.877,926 3.735,927 0.026,929 7.458,931 17.581,933 14.73,936 1.958,937 47,940 1,941 258.964,942 116.674,943 22.721,945 20.734,948 116.674,949 279.698,950 22.721,952 15.979,953 85.286,954 19.597,955 29.617,956 9.651,957 258.964,959 258.964,960 139.395,961 20.734,964 200.109,965 79.59,968 19.103,969 100.696,970 19.597,972 258.964,973 43.455,974 116.674,977 258.964,978 31.388,979 88.411,981 40.331,982 258.964,983 43.455,984 116.674,986 0.568,987 0.328,988 0.18,989 0.096,990 18,991 6,992 0.102,993 5,994 1,995 1.095,996 3.909,997 188.507,998 0.095,999 21,1000 102.039,1005 15.523,1006 7.266,1007 3.753,1008 1.74,1009 43.455,1010 18.516,1011 4.043,1013 5.289,1015 2.013,1018 419.093,1019 35,1031 45.694,1032 51.567,1034 0.258,1035 0.57,1036 0.74,1037 0.836,1038 0.874,1039 0.874,1040 4.787,1041 1.204,1042 5.617,1043 3.044,1044 4.29,1045 4.824,1046 1.382,1047 6.358,1048 4.231,1049 5.943,1050 1,1051 7.12,1052 2.814,1053 3.611,1054 4.388,1055 0.325,1056 7.096,1057 3.517,1058 7.211,1059 1,1060 8.724,1061 2.275,1062 5.808,1063 6.977,1064 1.115,1065 10.187,1066 5.692,1067 8.516,1068 0.819,1069 10.39,1070 2.136,1071 6.019,1072 7.52,1073 0.393,1074 11.84,1075 5.87,1076 9.862,1077 0.462,1078 12.099,1079 1.896,1080 7.603,1081 9.5,1082 0.921,1083 14.406,1084 7.435,1085 11.236,1086 0.057,1087 13.84,1088 1.09,1089 8.252,1090 10.537,1091 0.384,1092 16.446,1093 8.055,1094 12.634,1095 -0.464,1096 15.604,1097 0.143,1098 9.563,1099 12.245,1100 0.764,1101 18.843,1102 9.345,1103 3.063,1104 -0.774,1105 17.386,1106 -1.099,1107 10.437,1108 13.528,1109 0.351,1110 21.049,1111 10.192,1112 2.724,1113 10.265,1114 19.183,1115 -1.812,1116 11.624,1117 15.115,1118 0.634,1119 23.394,1120 11.357,1121 2.472,1122 7.789,1123 20.993,1124 4.473,1125 12.613,1126 16.513,1127 0.312,1128 25.67,1129 12.319,1130 2.118,1131 6.973,1132 22.812,1133 3.457,1134 13.746,1135 18.047,1136 0.525,1137 28,1138 13.429,1139 1.953,1140 6.035,1141 24.641,1142 2.785,1143 14.793,1144 19.499,1145 0.273,1146 30.305,1147 14.449,1148 1.546,1149 5.771,1150 26.476,1151 2.615,1152 15.905,1153 21.011,1154 0.433,1155 32.632,1156 15.539,1157 1.422,1158 3.763,1159 28.318,1160 2.318,1161 16.981,1162 22.487,1163 0.236,1164 34.949,1165 16.589,1166 7277,1167 11020,1168 19.068,1169 30.534,1170 39.913,1171 40.056,1172 39.975,1173 39.678,1174 39.682,1175 51.379,1176 3.898,1177 107.99,1178 38.484,1179 5.524,1180 5.2,1181 6.328,1182 5.118,1183 5.063,1184 7.473,1185 1.776,1186 16.922,1187 4.987,1189 1.478,1190 1.484,1191 1.481,1192 1.47,1193 1.47,1194 1.903,1195 0.144,1196 4,1197 1.425,1198 4.078,1199 4.09,1200 4.047,1201 3.957,1202 5.294,1203 3.973,1204 3.947,1205 3.991,1206 3.863,1207 3.864,1208 4.756,1209 3.858,1210 3.809,1211 3.857,1212 3.694,1213 3.696,1214 4.509,1215 3.688,1216 3.399,1217 3.449,1218 3.303,1219 3.186,1220 4.434,1221 3.207,1222 3.262,1223 3.317,1224 3.146,1225 3.078,1226 4.228,1227 3.086,1228 3.111,1229 3.206,1230 2.872,1231 2.941,1232 3.778,1233 2.91,1234 3.012,1235 3.072,1236 2.866,1237 2.821,1238 3.674,1239 2.821,1240 2.89,1241 2.947,1242 2.744,1243 2.764,1244 3.647,1245 2.753,1246 0.168,1247 0.119,1248 0.242,1249 0.15,1250 0.113,1251 4.524,1252 0.166,1253 3.2,1254 0.034,1255 6.526,1256 0.38,1257 4.037,1258 0.111,1259 3.063,1260 4.473,1261 0.916,1262 10.265,1263 2.987,1264 1.932,1265 1.901,1266 2.089,1267 2.064,1268 1.453,1269 2.075,1270 1.911,1271 1.89,1272 2.012,1273 1.994,1274 1.148,1275 1.999,1276 1.815,1277 1.765,1278 1.994,1279 1.941,1280 1.11,1281 1.961,1282 1.339,1283 1.289,1284 1.575,1285 1.626,1286 0.825,1287 1.593,1288 1.179,1289 1.135,1290 1.513,1291 1.447,1292 0.82,1293 1.429,1294 1.153,1295 1.064,1296 1.375,1297 1.376,1298 0.568,1299 1.411,1300 0.983,1301 0.93,1302 1.245,1303 1.238,1304 0.332,1305 1.248,1306 0.913,1307 0.873,1308 1.181,1309 1.086,1310 0.219,1311 1.107,1312 4.007,1314 5.293,1315 2.398,1316 6.777,1317 4.727,1318 8.343,1319 6.823,1320 9.949,1328 6.355,1330 5.929,1332 0.59,1333 2.525,1340 28.74,1341 65.538,1342 144.919,1343 187.945,1344 212.474,1345 222.084,1346 222.084,1347 28.756,1348 7.308,1349 38.5,1350 38.5,1351 23,1352 12.219,1353 4.087,1354 3.17,1355 34.226,1356 100,1357 88,1358 0.165,1359 174.133,1360 293.52,1361 416.645,1362 16163,1364 16.192,1365 0.675,1366 0.572,1367 16.192,1368 13.727,1369 11.882,1370 0.44,1371 0.319,1372 8.513,1373 11.47,1374 8.351,1375 6.907,1376 11.882,1377 8.618,1378 10.25,1379 0.285,1380 0.181,1381 10.25,1382 6.5,1383 8.785,1384 0.187,1385 0.101,1386 8.785,1387 4.756,1388 7.316,1389 0.122,1390 0.055,1391 7.316,1392 3.316,1393 5.915,1394 0.082,1395 0.034,1396 5.915,1397 2.415,1398 0.268,1399 74.176,1400 0.229,1401 24.101,1402 0.427,1403 126,1404 330.761,1405 136.999,1406 316.656,1407 442.34,1408 300,1409 146,1410 336.59,1411 158.912,1412 336.896,1413 489.99,1414 317,1415 5.588}
{0 CHEMBL94186,1 1.387,2 12.423,3 4.662,4 21.732,5 104.397,6 6.74,7 0.552,8 4.037,9 4.155,10 3.538,11 3.585,12 5.023,13 3.543,14 4.609,15 4.793,16 3.852,17 3.989,18 5.48,19 3.92,20 4.872,21 5.101,22 3.851,23 4.132,24 5.654,25 4.009,26 4.976,27 5.245,28 3.701,29 4.099,30 5.677,31 3.934,32 4.892,33 5.179,34 3.644,35 4.001,36 5.588,37 3.835,38 4.763,39 5.016,40 3.604,41 3.951,42 5.509,43 3.806,44 4.758,45 5.011,46 3.461,47 3.88,48 5.503,49 3.72,50 4.612,51 4.884,52 3.312,53 3.721,54 5.303,55 3.547,56 0.09,57 0.717,58 12.03,59 5.216,60 10.624,61 7.05,62 0.172,63 1.206,64 22.372,65 8.588,66 17.891,67 11.94,68 0.212,69 1.497,70 29.552,71 11.409,72 23.917,73 16.188,74 0.287,75 1.581,76 33.563,77 12.326,78 27.37,79 17.844,80 0.403,81 1.431,82 31.107,83 11.436,84 29.508,85 16.743,86 0.217,87 1.304,88 26.842,89 10.062,90 22.279,91 14.446,92 0.329,93 1.248,94 27.231,95 9.81,96 27.871,97 13.793,98 0.246,99 1.057,100 23.371,101 8.896,102 20.174,103 12.671,104 3,105 39,106 0.232,107 0.536,108 0.738,109 0.82,110 0.829,111 0.829,112 3.303,113 0.983,114 -4.6,115 -4.52,116 -4.25,121 42.3,123 4,124 1,126 1,127 3,144 8,145 2,146 1,148 1,154 1,168 1,176 12,180 9,187 13,192 11,200 9,206 6,214 5,218 2,219 6,227 10,232 3,239 11,243 1,244 2,251 10,255 1,256 3,264 7,269 2,277 4,281 998,282 18.179,283 18.179,284 18.179,285 18.179,286 18.179,287 16.298,288 18.178,289 10.909,290 18.5,291 14.292,292 14.292,293 14.292,294 14.292,295 14.292,296 11.469,297 19.35,298 5.164,299 14.705,300 4.314,301 2.496,302 1.289,303 0.798,304 0.745,305 0.745,306 4.008,311 1,312 1,313 712,314 2.739,317 61.23,318 251.716,321 113.237,325 2.006,326 12.881,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 55,338 323,339 4.55,340 3.185,341 6.547,342 4.081,343 3.093,344 4.504,345 0.916,346 10.361,347 3.057,348 3.941,349 3.017,350 5.617,351 3.689,352 2.725,353 3.457,354 0.86,355 7.79,356 2.633,357 3.709,358 2.726,359 5.354,360 3.475,361 2.479,362 3.122,363 0.172,364 6.992,365 2.471,366 3.6,367 2.556,368 5.275,369 3.288,370 2.346,371 2.703,373 6.701,374 2.204,375 3.344,376 2.266,377 5.086,378 3.049,379 2.093,380 2.603,382 5.972,383 1.993,384 3.149,385 2.053,386 4.943,387 2.881,388 1.902,389 2.23,391 5.749,392 1.856,393 2.824,394 1.517,395 4.149,396 2.417,397 1.422,398 1.928,400 3.482,401 1.415,402 2.725,403 1.345,404 3.594,405 2.262,406 1.277,407 1.821,409 3.041,410 1.255,411 2.5,412 1.138,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.254,421 1.077,422 3.346,423 1.984,424 1,425 1.172,427 2.136,428 0.983,429 2,430 1,431 3.247,432 1.893,433 0.914,434 1,436 2.065,437 0.891,438 1.778,439 0.856,440 3.138,441 1.56,442 0.607,443 0.693,445 1.337,446 0.572,447 1.541,448 0.535,449 2.81,450 1.266,451 0.357,452 0.414,454 0.605,455 0.323,456 1.215,457 0.261,458 2.759,459 1.026,460 0.056,461 0.062,463 0.136,464 0.054,465 0.804,466 -0.197,467 2.314,468 0.541,469 -0.442,470 -0.509,472 -1.017,473 -0.432,474 12.467,475 0.479,476 0.444,477 0.017,478 31,479 1.192,480 14.5,481 0.558,482 16.5,483 0.635,484 22.845,485 0.879,486 28.333,487 0.545,488 19.401,489 0.746,490 5.941,491 0.228,492 6.873,493 0.264,494 0.04,496 0.273,501 0.719,502 1.255,503 0.855,504 1.141,505 0.651,506 1.035,507 1.155,508 1.106,509 0.999,510 1.019,511 0.866,512 0.989,513 0.907,514 1.14,515 1.044,516 1.115,517 0.789,518 1.094,519 0.934,520 1.056,521 1.039,522 1.042,523 0.948,524 1.048,525 0.592,526 0.87,527 0.847,528 0.875,529 0.688,530 0.884,531 0.919,532 1.049,533 1.042,534 1.054,535 1.044,536 1.055,537 1.376,538 0.941,539 1.21,540 1.022,541 1.509,542 1.087,543 0.869,544 0.996,545 0.975,546 1.015,547 0.975,548 1.018,549 4.5,550 0.099,551 2.222,552 1.042,553 1.107,554 0.504,555 0.386,556 0.267,557 0.133,558 0.103,559 9554,560 20841,561 2.172,562 50,563 3,564 17,568 2,569 4,572 1.683,573 2.108,574 3.588,575 -0.836,582 72.104,583 1.387,584 3.204,585 4.412,586 4.902,587 4.955,588 4.955,589 3.075,590 4.104,591 4.672,592 3.761,593 1222.28,594 8.054,595 16059,597 1,600 296.423,601 1.058,602 4.663,603 0.155,604 0.006,605 0.057,606 0.028,607 0.037,608 0.017,609 0.014,610 0.012,611 0.007,612 0.006,613 0.339,614 0.33,615 1,616 0.542,617 130.349,618 0.175,619 -0.084,620 0.09,621 -0.041,622 0.228,623 0.003,624 -0.096,625 -0.001,626 -0.02,627 0.001,628 0.05,629 0.002,630 -0.051,631 -0.112,632 -0.082,633 -0.112,634 0.054,635 -0.101,636 -0.056,637 -0.087,638 -0.064,639 -0.078,640 -0.056,641 -0.073,642 0.205,643 0.077,644 0.125,645 0.085,646 0.146,647 0.096,648 -0.059,649 -0.052,650 -0.073,651 -0.074,652 -0.121,653 -0.073,654 -0.164,655 0.03,656 -0.207,657 -0.063,658 -0.325,659 -0.129,660 0.055,661 -0.075,662 0.001,663 -0.037,664 -0.069,665 -0.031,666 0.821,667 1.958,668 0.808,669 26.367,670 0.99,671 1.123,672 3.366,673 11.331,674 0.655,675 3.401,676 3.689,677 3.951,678 4.19,679 4.407,680 4.407,681 4.5,682 4.615,683 4.605,684 4.663,685 7.242,686 0.611,687 350.5,688 3.401,689 4.92,690 5.759,691 6.616,692 7.47,693 8.333,694 9.193,695 10.06,696 10.924,697 11.792,698 3.8,701 1,708 1,714 2,715 8,716 1,718 1,720 3,722 16,739 1,741 52,743 16,744 2,745 29,747 55,748 22,749 13,750 4,751 8,756 4,757 5,767 2,768 1,770 4,772 13,773 9,774 1,790 1,793 26,794 4,796 4,801 1,802 2,808 0.75,809 2,828 1,829 3,832 1,855 1,859 3,864 1,868 26,876 7,878 1,880 1,881 1,893 3.8,898 2,901 12.333,902 9.483,903 5.806,904 3.314,907 2.89,908 1.384,909 0.983,910 5.447,911 10.412,912 3.638,913 4.201,914 4.774,915 5.341,916 5.825,917 6.006,918 6.321,919 6.628,920 6.446,921 6.508,922 1,923 37,924 9.621,926 4.014,927 0.026,929 7.429,931 19.172,933 16.066,936 1.929,937 50.167,939 1,940 1,941 306.049,942 121.743,943 22.721,945 20.734,948 121.743,949 326.783,950 22.721,951 10.883,952 16.455,953 75.81,954 19.597,955 37.617,956 4.836,957 306.049,959 306.049,960 144.464,961 20.734,964 258.964,965 67.818,968 22.336,969 102.531,970 19.597,972 306.049,973 43.455,974 121.743,977 306.049,978 35.05,979 89.817,981 40.331,982 306.049,983 43.455,984 121.743,986 0.569,987 0.332,988 0.178,989 0.099,990 19,991 7,992 0.109,993 6,994 1,995 1.095,996 4.038,997 210.895,998 0.095,999 21,1000 114.211,1005 17.416,1006 8.131,1007 4.233,1008 1.935,1009 43.455,1010 16.653,1011 4.285,1013 5.458,1015 3.329,1018 471.247,1019 37,1031 51.461,1032 58.398,1034 0.243,1035 0.562,1036 0.774,1037 0.86,1038 0.869,1039 0.869,1040 4.852,1041 1.277,1042 5.707,1043 3.482,1044 4.369,1045 4.887,1046 1.382,1047 6.46,1048 4.319,1049 6.016,1050 1,1051 7.222,1052 3.041,1053 3.761,1054 4.543,1055 0.325,1056 7.222,1057 3.678,1058 7.294,1059 1,1060 8.832,1061 2.275,1062 5.905,1063 7.055,1064 1.115,1065 10.296,1066 5.813,1067 8.609,1068 0.914,1069 10.502,1070 2.136,1071 6.155,1072 7.643,1073 0.393,1074 11.933,1075 6.035,1076 9.961,1077 0.607,1078 12.21,1079 2.065,1080 7.706,1081 9.579,1082 0.921,1083 14.502,1084 7.58,1085 11.339,1086 0.357,1087 13.947,1088 1.337,1089 8.373,1090 10.634,1091 0.384,1092 16.53,1093 8.228,1094 12.74,1095 0.056,1096 15.706,1097 0.605,1098 9.666,1099 12.323,1100 0.764,1101 18.935,1102 9.515,1103 3.093,1104 -0.442,1105 17.483,1106 0.136,1107 10.55,1108 13.614,1109 0.351,1110 21.139,1111 10.386,1112 2.725,1113 10.361,1114 19.274,1115 -1.017,1116 11.73,1117 15.195,1118 0.634,1119 23.492,1120 11.558,1121 2.479,1122 7.79,1123 21.078,1124 4.504,1125 12.727,1126 16.6,1127 0.312,1128 25.773,1129 12.544,1130 2.346,1131 6.992,1132 22.893,1133 3.457,1134 13.861,1135 18.134,1136 0.525,1137 28.112,1138 13.67,1139 2.093,1140 6.701,1141 24.717,1142 3.122,1143 14.915,1144 19.592,1145 0.273,1146 30.425,1147 14.715,1148 1.902,1149 5.972,1150 26.55,1151 2.703,1152 16.033,1153 21.108,1154 0.433,1155 32.76,1156 15.824,1157 1.422,1158 5.749,1159 28.39,1160 2.603,1161 17.117,1162 22.591,1163 0.236,1164 35.087,1165 16.9,1166 8893,1167 13280,1168 20.167,1169 34.057,1170 42.656,1171 42.933,1172 43.247,1173 42.514,1174 42.537,1175 54.415,1176 3.898,1177 117.282,1178 41.412,1179 5.55,1180 5.185,1181 6.349,1182 5.117,1183 5.093,1184 7.504,1185 1.776,1186 17.028,1187 5.057,1188 6.942,1189 1.471,1190 1.48,1191 1.491,1192 1.466,1193 1.467,1194 1.876,1195 0.134,1196 4.044,1197 1.428,1198 4.098,1199 4.113,1200 4.066,1201 3.985,1202 5.264,1203 4,1204 3.947,1205 3.99,1206 3.863,1207 3.864,1208 4.757,1209 3.858,1210 3.816,1211 3.863,1212 3.7,1213 3.713,1214 4.727,1215 3.703,1216 3.503,1217 3.556,1218 3.405,1219 3.338,1220 4.32,1221 3.341,1222 3.335,1223 3.388,1224 3.205,1225 3.103,1226 4.132,1227 3.118,1228 3.155,1229 3.231,1230 2.982,1231 2.962,1232 3.956,1233 2.96,1234 3.111,1235 3.206,1236 2.866,1237 2.941,1238 3.762,1239 2.91,1240 3.009,1241 3.082,1242 2.819,1243 2.823,1244 3.674,1245 2.808,1246 0.157,1247 0.11,1248 0.226,1249 0.141,1250 0.107,1251 4.55,1252 0.155,1253 3.185,1254 0.032,1255 6.547,1256 0.357,1257 4.081,1258 0.105,1259 3.093,1260 4.504,1261 0.916,1262 10.361,1263 3.057,1264 1.945,1265 1.919,1266 2.106,1267 2.071,1268 1.487,1269 2.086,1270 1.917,1271 1.891,1272 2.026,1273 2.006,1274 1.2,1275 2.008,1276 1.828,1277 1.781,1278 1.98,1279 1.946,1280 1.132,1281 1.963,1282 1.501,1283 1.443,1284 1.73,1285 1.715,1286 0.968,1287 1.717,1288 1.219,1289 1.154,1290 1.567,1291 1.531,1292 0.825,1293 1.534,1294 1.199,1295 1.141,1296 1.513,1297 1.442,1298 0.691,1299 1.443,1300 1.153,1301 1.064,1302 1.462,1303 1.376,1304 0.574,1305 1.429,1306 0.994,1307 0.929,1308 1.25,1309 1.247,1310 0.443,1311 1.246,1312 4.078,1314 5.371,1315 2.398,1316 6.86,1317 4.727,1318 8.432,1319 6.823,1320 10.047,1322 1.692,1328 8.139,1330 5.327,1332 0.777,1333 2.572,1340 31.794,1341 72.104,1342 166.609,1343 229.403,1344 254.913,1345 257.668,1346 257.668,1347 33.164,1348 7.521,1349 38.5,1350 38.5,1351 23,1352 12.337,1353 4.087,1354 3.17,1355 38.398,1356 115,1357 104,1358 0.162,1359 193.318,1360 328.12,1361 463.455,1362 20952,1364 17.769,1365 0.683,1366 0.591,1367 17.769,1368 15.357,1369 12.814,1370 0.442,1371 0.328,1372 9.389,1373 12.364,1374 9.156,1375 7.594,1376 12.814,1377 9.502,1378 11.053,1379 0.283,1380 0.186,1381 11.053,1382 7.235,1383 9.551,1384 0.187,1385 0.108,1386 9.551,1387 5.497,1388 7.766,1389 0.119,1390 0.06,1391 7.766,1392 3.891,1393 6.4,1394 0.079,1395 0.036,1396 6.4,1397 2.89,1398 0.264,1399 79.974,1400 0.223,1401 25.758,1402 0.421,1403 136,1404 342.761,1405 146.224,1406 329.22,1407 459.51,1408 312,1409 158,1410 347.681,1411 169.473,1412 350.852,1413 506.23,1414 329,1415 8.142}
{0 CHEMBL94217,1 1.433,2 13.821,3 3.799,4 14.429,5 111.016,6 6.864,7 0.516,8 4.09,9 4.215,10 3.597,11 3.64,12 5.105,13 3.599,14 4.654,15 4.84,16 3.93,17 4.045,18 5.597,19 3.975,20 4.946,21 5.177,22 3.907,23 4.184,24 5.797,25 4.065,26 5.028,27 5.3,28 3.809,29 4.155,30 5.791,31 3.999,32 4.938,33 5.209,34 3.733,35 4.064,36 5.732,37 3.916,38 4.846,39 5.103,40 3.711,41 4.014,42 5.691,43 3.873,44 4.783,45 5.036,46 3.593,47 3.92,48 5.62,49 3.777,50 4.636,51 4.903,52 3.36,53 3.774,54 5.378,55 3.604,56 0.09,57 0.787,58 12.393,59 5.286,60 9.456,61 7.256,62 0.175,63 1.306,64 22.914,65 8.86,66 21.468,67 12.582,68 0.283,69 1.621,70 31.966,71 11.636,72 36.679,73 16.698,74 0.334,75 1.665,76 35.459,77 12.87,78 36.155,79 18.829,80 0.327,81 1.503,82 32.61,83 11.8,84 38.898,85 16.994,86 0.335,87 1.399,88 29.372,89 10.76,90 39.324,91 15.56,92 0.358,93 1.289,94 27.885,95 9.978,96 37.326,97 14.179,98 0.26,99 1.12,100 23.896,101 8.765,102 24.155,103 12.735,104 7,105 42,106 0.236,107 0.564,108 0.752,109 0.829,110 0.837,111 0.837,112 3.374,113 0.977,114 -4.35,115 -4.29,116 -4.04,121 41.8,122 1,123 4,124 1,127 3,144 8,145 2,146 1,148 1,154 1,160 1,168 1,176 12,180 8,183 1,185 3,187 14,192 8,197 1,200 8,206 9,209 1,211 1,214 8,219 6,222 1,227 11,231 1,232 4,237 1,239 12,243 2,244 2,249 1,251 11,255 1,256 2,261 1,264 6,269 4,274 2,277 5,281 1268,282 19.17,283 19.17,284 19.17,285 19.17,286 19.17,287 17.083,288 20.704,289 11.557,290 19.334,291 15.364,292 15.364,293 15.364,294 15.364,295 15.364,296 12.27,297 24.458,298 5.575,299 15.625,300 4.349,301 2.36,302 1.219,303 0.755,304 0.705,305 0.705,306 4.076,311 1,312 1,313 844,314 3.24,317 67.853,318 276.624,321 124.314,325 2.25,326 18.016,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 59.5,338 387,339 4.549,340 3.534,341 6.54,342 4.081,343 3.091,344 4.502,345 1.907,346 10.332,347 3.06,348 3.941,349 3.155,350 5.618,351 3.689,352 2.726,353 3.457,354 0.916,355 7.79,356 2.634,357 3.839,358 3.017,359 5.485,360 3.507,361 2.526,362 3.243,363 0.172,364 7.351,365 2.485,366 3.606,367 2.58,368 5.331,369 3.447,370 2.455,371 2.672,372 0.149,373 6.946,374 2.421,375 3.411,376 2.48,377 5.028,378 3.073,379 2.103,380 2.6,382 5.919,383 2.044,384 3.202,385 2.228,386 4.936,387 2.97,388 1.972,389 2.422,391 5.646,392 1.941,393 3.121,394 1.93,395 4.383,396 2.716,397 1.714,398 2.233,400 4.416,401 1.712,402 2.858,403 1.518,404 4.207,405 2.426,406 1.43,407 1.997,409 3.752,410 1.423,411 2.808,412 1.457,413 3.594,414 2.386,415 1.397,416 1.903,418 3.042,419 1.379,420 2.5,421 1.077,422 3.414,423 2,424 1,425 1.5,427 2.275,428 1,429 2.174,430 1,431 3.316,432 1.984,433 1,434 1.056,436 2.136,437 0.983,438 2,439 0.863,440 3.247,441 1.807,442 0.82,443 1,445 1.924,446 0.808,447 1.747,448 0.684,449 3.136,450 1.517,451 0.523,452 0.637,454 1.26,455 0.519,456 1.261,457 0.509,458 2.798,459 1.063,460 0.088,461 0.098,463 0.222,464 0.085,465 1.146,466 0.275,467 2.632,468 0.827,469 -0.15,470 -0.179,472 -0.399,473 -0.145,474 13.367,475 0.477,476 0.588,477 0.021,478 33.75,479 1.205,480 16,481 0.571,482 17.75,483 0.634,484 24.899,485 0.889,486 30.433,487 0.553,488 22.259,489 0.795,490 6.423,491 0.229,492 7.247,493 0.259,494 0.062,496 0.292,501 0.653,502 1.257,503 0.847,504 1.103,505 0.534,506 1.014,507 0.773,508 1.203,509 0.936,510 1.096,511 0.498,512 1.037,513 1.068,514 1.09,515 1.105,516 1.072,517 1.017,518 1.085,519 0.771,520 1.005,521 0.955,522 1.013,523 0.504,524 1.005,525 0.965,526 0.907,527 0.946,528 0.931,529 0.868,530 0.938,531 0.786,532 1.003,533 0.978,534 1.029,535 0.73,536 1.023,537 1.145,538 0.94,539 1.085,540 1.005,541 0.739,542 1.039,543 0.839,544 1.018,545 1.069,546 1.06,547 0.613,548 1.09,549 5.5,550 0.103,551 2.222,552 1.417,553 1.107,554 0.615,555 0.533,556 0.342,557 0.157,558 0.133,559 11804,560 27376,561 2.137,562 49.1,563 3,564 14,567 1,568 5,569 4,572 1.702,573 2.049,574 3.723,575 -0.394,577 1,582 78.796,583 1.433,584 3.421,585 4.563,586 5.027,587 5.077,588 5.077,589 3.244,590 4.307,591 4.775,592 3.913,593 1479.25,594 8.259,595 20846,597 1,599 1,600 317.975,601 1.198,602 4.76,603 0.177,604 0.005,605 0.053,606 0.036,607 0.033,608 0.019,609 0.017,610 0.013,611 0.007,612 0.007,613 0.368,614 0.33,615 1,616 0.787,617 144.828,618 0.131,619 -0.059,620 0.07,621 -0.008,622 0.057,623 0.016,624 0.052,625 -0.082,626 0.009,627 -0.065,628 0.126,629 -0.037,630 -0.125,631 -0.057,632 -0.135,633 -0.082,634 -0.084,635 -0.104,636 0.041,637 -0.05,638 0.017,639 -0.038,640 0.08,641 -0.017,642 -0.022,643 0.035,644 0.039,645 0.043,646 -0.017,647 0.046,648 0.099,649 -0.031,650 -0.005,651 -0.044,652 0.05,653 -0.034,654 -0.025,655 0.021,656 -0.089,657 -0.033,658 0.008,659 -0.067,660 0.002,661 -0.063,662 -0.099,663 -0.08,664 -0.062,665 -0.101,666 1.752,667 4.197,668 0.75,669 33.847,670 0.992,671 1.125,672 3.122,673 9.745,674 0.656,675 3.466,676 3.761,677 3.989,678 4.248,679 4.443,680 4.477,681 4.625,682 4.754,683 4.727,684 4.787,685 7.937,686 0.615,687 377.53,688 3.466,689 4.99,690 5.82,691 6.681,692 7.527,693 8.393,694 9.247,695 10.116,696 10.976,697 11.848,698 5.5,701 1,705 1,708 1,714 2,715 8,716 1,718 1,720 3,722 16,741 55,743 17,744 2,745 31,747 58,748 23,749 13,750 4,751 8,756 4,757 5,763 1,767 2,768 1,770 4,772 14,773 9,774 1,777 1,782 1,786 1,790 1,793 27,794 5,795 1,796 5,801 1,802 3,808 0.75,809 2,828 1,829 3,832 1,843 1,855 1,859 3,864 1,868 28,876 7,877 1,880 1,881 1,893 3.6,896 1,898 1,901 13.667,902 9.983,903 6.139,904 3.522,907 2.998,908 1.389,909 0.986,910 5.966,911 10.697,912 3.714,913 4.273,914 4.799,915 5.384,916 5.855,917 6.086,918 6.47,919 6.814,920 6.695,921 6.795,922 1,923 39,924 10.365,926 4.354,927 0.026,929 7.565,931 20.422,933 17.095,936 2.065,937 57.833,939 1,940 1,941 306.049,942 121.903,943 40.732,945 34.879,948 121.903,949 340.928,950 40.732,951 8.825,952 34.466,953 75.81,954 49.446,955 24.13,956 4.836,957 306.049,959 306.049,960 162.635,961 34.879,964 258.964,965 81.963,968 49.172,969 93.866,970 19.597,972 306.049,973 75.611,974 121.903,977 306.049,978 37.268,979 87.759,980 18.011,981 54.476,982 306.049,983 75.611,984 121.903,986 0.573,987 0.316,988 0.174,989 0.095,990 20,991 8,992 0.103,993 6,994 1,995 1.095,996 4.216,997 231.066,998 0.095,999 21,1000 126.606,1005 19.012,1006 8.786,1007 4.949,1008 1.787,1009 75.611,1010 16.464,1011 4.273,1013 5.485,1015 3.165,1017 18.011,1018 503.563,1019 40,1024 11.197,1028 -0.085,1031 54.563,1032 61.896,1034 0.248,1035 0.592,1036 0.789,1037 0.869,1038 0.878,1039 0.878,1040 4.934,1041 1.43,1042 5.778,1043 4.416,1044 4.443,1045 4.959,1046 2.146,1047 6.526,1048 4.41,1049 6.107,1050 1.397,1051 7.29,1052 3.752,1053 3.892,1054 4.663,1055 1.668,1056 7.273,1057 3.843,1058 7.387,1059 1,1060 8.896,1061 3.042,1062 5.974,1063 7.107,1064 2.955,1065 10.345,1066 5.904,1067 8.699,1068 1,1069 10.56,1070 2.275,1071 6.236,1072 7.699,1073 3.055,1074 11.961,1075 6.151,1076 10.046,1077 0.82,1078 12.262,1079 2.136,1080 7.766,1081 9.61,1082 4.05,1083 14.531,1084 7.663,1085 11.418,1086 0.523,1087 13.994,1088 1.924,1089 8.432,1090 10.661,1091 4.415,1092 16.542,1093 8.317,1094 12.811,1095 0.088,1096 15.747,1097 1.26,1098 9.717,1099 12.34,1100 5.253,1101 18.944,1102 9.588,1103 3.091,1104 -0.15,1105 17.518,1106 0.222,1107 10.596,1108 13.627,1109 5.751,1110 21.136,1111 10.456,1112 2.726,1113 10.332,1114 19.305,1115 -0.399,1116 11.771,1117 15.203,1118 6.502,1119 23.484,1120 11.619,1121 2.526,1122 7.79,1123 21.104,1124 4.502,1125 12.762,1126 16.605,1127 7.069,1128 25.756,1129 12.601,1130 2.455,1131 7.351,1132 22.915,1133 3.457,1134 13.892,1135 18.136,1136 7.771,1137 28.09,1138 13.72,1139 2.103,1140 6.946,1141 24.735,1142 3.243,1143 14.941,1144 19.593,1145 8.375,1146 30.396,1147 14.762,1148 1.972,1149 5.919,1150 26.564,1151 2.672,1152 16.054,1153 21.107,1154 9.051,1155 32.728,1156 15.866,1157 1.714,1158 5.646,1159 28.4,1160 2.6,1161 17.134,1162 22.588,1163 9.674,1164 35.049,1165 16.939,1166 11095,1167 17070,1168 21.266,1169 36.063,1170 45.963,1171 46.379,1172 46.197,1173 45.693,1174 45.691,1175 58.639,1176 6.29,1177 126.019,1178 44.99,1179 5.549,1180 5.534,1181 6.342,1182 5.117,1183 5.091,1184 7.502,1185 3.306,1186 17.082,1187 5.06,1188 10.422,1189 1.483,1190 1.496,1191 1.49,1192 1.474,1193 1.474,1194 1.892,1195 0.203,1196 4.065,1197 1.451,1198 4.103,1199 4.122,1200 4.07,1201 3.992,1202 7.43,1203 4.005,1204 3.948,1205 3.992,1206 3.863,1207 3.864,1208 5.258,1209 3.859,1210 3.817,1211 3.865,1212 3.702,1213 3.714,1214 4.756,1215 3.704,1216 3.606,1217 3.654,1218 3.531,1219 3.395,1220 4.486,1221 3.415,1222 3.427,1223 3.493,1224 3.29,1225 3.246,1226 4.32,1227 3.249,1228 3.239,1229 3.298,1230 3.13,1231 3.063,1232 3.981,1233 3.065,1234 3.111,1235 3.206,1236 2.916,1237 2.941,1238 3.884,1239 2.91,1240 3.068,1241 3.131,1242 2.866,1243 2.879,1244 3.739,1245 2.882,1246 0.147,1247 0.114,1248 0.211,1249 0.132,1250 0.1,1251 4.549,1252 0.145,1253 3.534,1254 0.062,1255 6.54,1256 0.333,1257 4.081,1258 0.099,1259 3.091,1260 4.502,1261 1.907,1262 10.332,1263 3.06,1264 1.951,1265 1.924,1266 2.106,1267 2.071,1268 1.487,1269 2.086,1270 1.923,1271 1.892,1272 2.03,1273 2.021,1274 1.204,1275 2.021,1276 1.83,1277 1.783,1278 1.99,1279 1.949,1280 1.137,1281 1.968,1282 1.525,1283 1.469,1284 1.746,1285 1.742,1286 0.978,1287 1.742,1288 1.423,1289 1.369,1290 1.686,1291 1.675,1292 0.825,1293 1.67,1294 1.211,1295 1.149,1296 1.513,1297 1.45,1298 0.725,1299 1.442,1300 1.153,1301 1.064,1302 1.461,1303 1.376,1304 0.683,1305 1.429,1306 1.004,1307 0.955,1308 1.248,1309 1.278,1310 0.446,1311 1.264,1312 4.143,1314 5.442,1315 2.398,1316 6.925,1317 4.727,1318 8.489,1319 6.823,1320 10.098,1322 1.501,1328 7.963,1329 2.78,1332 0.748,1333 2.556,1340 33.815,1341 78.796,1342 188.161,1343 250.955,1344 276.465,1345 279.22,1346 279.22,1347 41.564,1348 7.699,1349 58.37,1350 58.37,1351 23,1352 12.393,1353 4.17,1354 3.322,1355 42.876,1356 135,1357 122,1358 0.154,1359 206.777,1360 353.78,1361 496.296,1362 26276,1364 19.347,1365 0.691,1366 0.584,1367 19.347,1368 16.357,1369 13.67,1370 0.441,1371 0.326,1372 9.992,1373 13.229,1374 9.74,1375 8.076,1376 13.67,1377 10.094,1378 12.274,1379 0.292,1380 0.185,1381 12.274,1382 7.765,1383 9.772,1384 0.184,1385 0.106,1386 9.772,1387 5.613,1388 8.318,1389 0.121,1390 0.059,1391 8.318,1392 4.067,1393 6.635,1394 0.079,1395 0.035,1396 6.635,1397 2.961,1398 0.252,1399 84.979,1400 0.217,1401 27.588,1402 0.395,1403 146,1404 377.094,1405 157.613,1406 366.451,1407 504.63,1408 344,1409 168,1410 379.026,1411 179.81,1412 381.506,1413 548.81,1414 359,1415 8.553}
{0 CHEMBL94546,1 1.429,2 13.31,3 3.874,4 15.005,5 114.576,6 6.956,7 0.485,8 4.123,9 4.243,10 3.655,11 3.685,12 5.112,13 3.648,14 4.713,15 4.898,16 4.025,17 4.124,18 5.61,19 4.062,20 4.993,21 5.212,22 4.034,23 4.275,24 5.863,25 4.165,26 5.101,27 5.361,28 3.877,29 4.242,30 5.888,31 4.086,32 5.001,33 5.282,34 3.815,35 4.104,36 5.758,37 3.961,38 4.851,39 5.095,40 3.739,41 4.025,42 5.7,43 3.896,44 4.802,45 5.058,46 3.597,47 3.958,48 5.604,49 3.806,50 4.674,51 4.933,52 3.431,53 3.83,54 5.421,55 3.667,56 0.083,57 0.81,58 12.504,59 5.432,60 8.754,61 7.395,62 0.201,63 1.396,64 24.05,65 9.225,66 15.873,67 13.02,68 0.238,69 1.723,70 32.871,71 12.632,72 31.181,73 17.777,74 0.378,75 1.808,76 38.099,77 14.034,78 42,79 20.112,80 0.317,81 1.602,82 34.983,83 12.731,84 35.104,85 18.332,86 0.397,87 1.422,88 29.618,89 10.555,90 38.694,91 14.997,92 0.33,93 1.35,94 28.167,95 10.316,96 33.623,97 14.732,98 0.272,99 1.16,100 24.82,101 9.425,102 26.332,103 13.364,104 5,105 47,106 0.234,107 0.558,108 0.762,109 0.824,110 0.832,111 0.832,112 3.408,113 0.965,114 -4.56,115 -4.49,116 -4.22,121 42.9,123 5,124 1,126 1,127 3,144 7,145 3,146 1,148 1,154 1,160 1,168 1,176 13,179 1,180 11,187 15,192 10,200 10,205 1,206 10,214 6,218 1,219 8,227 11,231 1,232 3,239 12,243 2,244 3,251 12,255 1,256 3,264 7,269 6,277 4,281 1335,282 19.963,283 19.963,284 19.963,285 19.963,286 19.963,287 17.977,288 23.076,289 11.696,290 20.182,291 16.31,292 16.31,293 16.31,294 16.31,295 16.31,296 13.214,297 27.18,298 5.621,299 16.637,300 4.378,301 2.402,302 1.155,303 0.777,304 0.728,305 0.728,306 4.121,311 1,312 1,313 870,314 2.828,317 124.419,318 256.156,321 209.843,324 145.285,325 2.114,326 19.623,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 61.5,338 386,339 4.632,340 3.826,341 6.739,342 4.227,343 3.246,344 4.558,345 2.015,346 10.984,347 3.187,348 4.239,349 3.176,350 6.442,351 3.903,352 2.925,353 3.697,354 0.916,355 9.9,356 2.855,357 3.941,358 3.017,359 5.617,360 3.686,361 2.723,362 3.457,363 0.625,364 7.789,365 2.631,366 3.612,367 2.743,368 5.385,369 3.469,370 2.47,371 2.753,372 0.172,373 6.976,374 2.466,375 3.454,376 2.555,377 5.33,378 3.099,379 2.125,380 2.627,381 0.111,382 6.353,383 2.072,384 3.322,385 2.254,386 5.123,387 3,388 2.019,389 2.605,391 6.001,392 1.963,393 3.163,394 2.155,395 4.949,396 2.9,397 1.913,398 2.242,400 5.821,401 1.884,402 2.923,403 2.002,404 4.741,405 2.587,406 1.593,407 2.043,409 4.807,410 1.573,411 2.815,412 1.517,413 4.098,414 2.413,415 1.419,416 1.908,418 3.219,419 1.41,420 2.535,421 1.287,422 3.594,423 2.152,424 1.17,425 1.542,427 3.041,428 1.147,429 2.5,430 1.077,431 3.414,432 2,433 1,434 1.5,436 2.275,437 1,438 2.029,439 1.036,440 3.355,441 1.984,442 1,443 1,445 2.136,446 0.983,447 2,448 1,449 3.247,450 1.797,451 0.81,452 0.936,454 1.925,455 0.798,456 1.695,457 0.776,458 3.174,459 1.435,460 0.447,461 0.54,463 1.129,464 0.44,465 1.267,466 0.467,467 2.798,468 1.052,469 0.074,470 0.083,472 0.188,473 0.072,474 13.867,475 0.478,476 0.674,477 0.023,478 35,479 1.207,480 16,481 0.552,482 19,483 0.655,484 26.858,485 0.926,486 31.133,487 0.556,488 23.2,489 0.8,490 6.528,491 0.225,492 7.642,493 0.264,494 0.06,496 0.346,501 0.62,502 1.293,503 0.812,504 1.104,505 0.497,506 1.001,507 0.832,508 1.09,509 0.908,510 0.982,511 0.547,512 0.946,513 0.959,514 1.127,515 1.054,516 1.119,517 0.899,518 1.098,519 0.942,520 1.042,521 1.061,522 1.069,523 0.907,524 1.079,525 0.868,526 0.888,527 0.831,528 0.889,529 0.812,530 0.863,531 1.121,532 0.992,533 1.083,534 0.995,535 0.727,536 1.026,537 0.951,538 0.949,539 1.1,540 1.046,541 0.708,542 1.082,543 0.93,544 1.001,545 1.059,546 1.046,547 0.917,548 1.074,549 5.5,550 0.147,551 3.111,552 1.993,553 1.333,554 0.695,555 0.544,556 0.36,557 0.164,558 0.192,559 13243,560 29084,561 2.193,562 48.2,563 3,564 16,568 4,569 4,572 1.711,573 2.096,574 3.679,575 -0.819,577 1,582 80.036,583 1.429,584 3.406,585 4.653,586 5.03,587 5.08,588 5.08,589 3.142,590 4.444,591 4.829,592 3.866,593 1569.53,594 8.366,595 22203.1,597 1,599 1,600 325.212,601 1.247,602 4.809,603 0.167,604 0.007,605 0.066,606 0.044,607 0.037,608 0.02,609 0.017,610 0.013,611 0.007,612 0.009,613 0.387,614 0.33,615 0.88,616 0.434,617 150.505,618 0.151,619 -0.119,620 0.09,621 -0.029,622 0.074,623 0.01,624 0.021,625 0.035,626 0.035,627 0.027,628 0.053,629 0.035,630 -0.07,631 -0.098,632 -0.097,633 -0.116,634 0.005,635 -0.109,636 -0.018,637 -0.085,638 -0.08,639 -0.091,640 -0.025,641 -0.093,642 0.052,643 0.035,644 0.163,645 0.081,646 0.018,647 0.127,648 -0.001,649 -0.008,650 -0.087,651 -0.025,652 0.021,653 -0.058,654 -0.001,655 0.027,656 -0.118,657 -0.074,658 0.001,659 -0.104,660 -0.006,661 -0.068,662 -0.081,663 -0.053,664 -0.086,665 -0.078,666 1.524,667 4.966,668 0.828,669 31.971,670 0.992,671 1.123,672 3.333,673 11.108,674 0.662,675 3.526,676 3.871,677 4.174,678 4.454,679 4.682,680 4.771,681 4.977,682 5.147,683 5.13,684 5.204,685 7.751,686 0.622,687 389.54,688 3.526,689 5.081,690 5.948,691 6.834,692 7.716,693 8.609,694 9.499,695 10.396,696 11.292,697 12.192,698 5.4,701 1,705 1,708 1,714 2,715 7,716 1,718 1,720 4,722 16,741 56,743 17,744 2,745 33,747 60,748 24,749 13,750 5,751 7,756 5,757 8,767 3,768 1,770 5,772 14,773 10,774 1,777 1,782 1,786 1,790 1,793 27,794 5,796 5,801 1,802 3,808 0.6,809 2,828 2,829 3,832 2,835 1,844 1,855 1,859 3,864 1,868 29,876 8,880 1,881 2,893 3.6,896 1,898 1,901 13.833,902 10.35,903 6.222,904 3.649,907 3.065,908 1.372,909 1.011,910 5.047,911 11.305,912 3.761,913 4.353,914 4.937,915 5.531,916 6.052,917 6.376,918 6.836,919 7.227,920 7.245,921 7.406,922 0.889,923 45,924 10.78,926 4.673,927 0.026,929 7.517,931 21.381,933 18.528,936 2.017,937 58.5,939 1,940 1,941 317.82,942 117.718,943 25.845,945 34.879,948 117.718,949 352.699,950 25.845,951 8.396,952 22.114,953 66.334,954 49.446,955 27.316,956 4.836,957 317.82,959 317.82,960 143.564,961 34.879,964 270.735,965 81.963,968 27.995,969 95.972,970 19.597,972 317.82,973 60.724,974 117.718,977 317.82,978 42.988,979 80.979,981 54.476,982 317.82,983 60.724,984 117.718,986 0.587,987 0.346,988 0.185,989 0.1,990 25,991 10,992 0.083,993 5,994 2,995 1.167,996 4.278,997 257.762,998 0.167,999 24,1000 132.881,1005 18.688,1006 7.833,1007 3.783,1008 1.867,1009 60.724,1010 14.817,1011 4.346,1013 5.585,1015 4.479,1018 496.262,1019 42,1024 11.966,1028 0.143,1031 55.563,1032 62.896,1034 0.246,1035 0.586,1036 0.801,1037 0.866,1038 0.875,1039 0.875,1040 5.017,1041 1.593,1042 5.932,1043 5.821,1044 4.554,1045 5.04,1046 2.314,1047 6.749,1048 4.516,1049 6.207,1050 1.419,1051 7.492,1052 4.807,1053 4.111,1054 4.832,1055 1.738,1056 7.624,1057 4.044,1058 7.509,1059 1.17,1060 9.149,1061 3.219,1062 6.155,1063 7.22,1064 3.192,1065 10.741,1066 6.076,1067 8.847,1068 1,1069 10.864,1070 3.041,1071 6.553,1072 7.895,1073 3.273,1074 12.475,1075 6.442,1076 10.221,1077 1,1078 12.617,1079 2.275,1080 8.047,1081 9.759,1082 4.394,1083 15.1,1084 7.925,1085 11.621,1086 0.81,1087 14.397,1088 2.136,1089 8.84,1090 10.861,1091 4.768,1092 17.202,1093 8.689,1094 13.042,1095 0.447,1096 16.198,1097 1.925,1098 10.115,1099 12.513,1100 5.706,1101 19.661,1102 9.951,1103 3.246,1104 0.074,1105 18.015,1106 1.129,1107 11.097,1108 13.827,1109 6.226,1110 21.922,1111 10.908,1112 2.925,1113 10.984,1114 19.846,1115 0.188,1116 12.287,1117 15.39,1118 7.061,1119 24.324,1120 12.083,1121 2.723,1122 9.9,1123 21.687,1124 4.558,1125 13.359,1126 16.807,1127 7.661,1128 26.651,1129 13.132,1130 2.47,1131 7.789,1132 23.538,1133 3.697,1134 14.519,1135 18.335,1136 8.437,1137 29.035,1138 14.275,1139 2.125,1140 6.976,1141 25.396,1142 3.457,1143 15.633,1144 19.801,1145 9.08,1146 31.392,1147 15.37,1148 2.019,1149 6.353,1150 27.261,1151 2.753,1152 16.786,1153 21.318,1154 9.824,1155 33.772,1156 16.506,1157 1.913,1158 6.001,1159 29.131,1160 2.627,1161 17.923,1162 22.808,1163 10.492,1164 36.142,1165 17.623,1166 12056,1167 18054,1168 22.77,1169 37.063,1170 50.083,1171 50.981,1172 50.658,1173 49.864,1174 49.87,1175 62.978,1176 7.679,1177 145.09,1178 48.964,1179 5.632,1180 5.826,1181 6.541,1182 5.263,1183 5.246,1184 7.558,1185 3.529,1186 17.963,1187 5.187,1188 10.285,1189 1.518,1190 1.545,1191 1.535,1192 1.511,1193 1.511,1194 1.908,1195 0.233,1196 4.397,1197 1.484,1198 4.137,1199 4.156,1200 4.107,1201 4.032,1202 7.427,1203 4.046,1204 3.95,1205 3.996,1206 3.864,1207 3.866,1208 5.254,1209 3.86,1210 3.825,1211 3.871,1212 3.719,1213 3.722,1214 4.756,1215 3.713,1216 3.702,1217 3.739,1218 3.643,1219 3.51,1220 4.472,1221 3.535,1222 3.394,1223 3.463,1224 3.252,1225 3.216,1226 4.32,1227 3.216,1228 3.146,1229 3.238,1230 3.002,1231 2.996,1232 3.978,1233 2.985,1234 3.13,1235 3.206,1236 2.956,1237 2.941,1238 3.899,1239 2.92,1240 3.111,1241 3.199,1242 2.866,1243 2.931,1244 3.737,1245 2.91,1246 0.14,1247 0.116,1248 0.204,1249 0.128,1250 0.098,1251 4.632,1252 0.138,1253 3.826,1254 0.061,1255 6.739,1256 0.333,1257 4.227,1258 0.097,1259 3.246,1260 4.558,1261 2.015,1262 10.984,1263 3.187,1264 1.95,1265 1.926,1266 2.106,1267 2.07,1268 1.487,1269 2.085,1270 1.922,1271 1.892,1272 2.026,1273 2.001,1274 1.235,1275 2.006,1276 1.83,1277 1.783,1278 1.981,1279 1.945,1280 1.153,1281 1.962,1282 1.512,1283 1.456,1284 1.732,1285 1.755,1286 1.004,1287 1.741,1288 1.479,1289 1.429,1290 1.699,1291 1.7,1292 0.825,1293 1.702,1294 1.22,1295 1.157,1296 1.513,1297 1.453,1298 0.825,1299 1.44,1300 1.153,1301 1.091,1302 1.475,1303 1.404,1304 0.705,1305 1.429,1306 1.15,1307 1.064,1308 1.439,1309 1.376,1310 0.598,1311 1.423,1312 4.205,1314 5.541,1315 3.045,1316 7.066,1317 5.476,1318 8.672,1319 7.609,1320 10.325,1322 1.821,1328 8.457,1332 0.746,1333 4.272,1340 34.815,1341 80.036,1342 190.715,1343 260.541,1344 281.702,1345 284.457,1346 284.457,1347 42.178,1348 8.24,1349 49.58,1350 49.58,1351 28,1352 12.715,1353 4.17,1354 3.322,1355 40.028,1356 137,1357 132,1358 0.142,1359 208.976,1360 358.72,1361 501.661,1362 50346,1364 19.794,1365 0.683,1366 0.584,1367 19.794,1368 16.934,1369 14.17,1370 0.429,1371 0.322,1372 10.497,1373 13.708,1374 10.237,1375 8.437,1376 14.17,1377 10.612,1378 12.933,1379 0.275,1380 0.18,1381 12.933,1382 8.48,1383 11.425,1384 0.179,1385 0.103,1386 11.425,1387 6.569,1388 9.473,1389 0.111,1390 0.056,1391 9.473,1392 4.734,1393 7.775,1394 0.073,1395 0.032,1396 7.775,1397 3.465,1398 0.23,1399 88.193,1400 0.21,1401 28.163,1402 0.367,1403 160,1404 398.406,1405 171.974,1406 386.456,1407 539.72,1408 364,1409 191,1410 411.941,1411 204.64,1412 415.253,1413 607.01,1414 391,1415 9.319}
{0 CHEMBL95,1 1.292,2 5.667,3 2.79,4 7.784,5 61.738,6 6.838,7 0.647,8 3.465,9 3.597,10 2.981,11 3.087,12 4.468,13 3.037,14 4.005,15 4.181,16 3.34,17 3.508,18 4.912,19 3.426,20 4.293,21 4.528,22 3.418,23 3.619,24 5.175,25 3.515,26 4.251,27 4.496,28 3.219,29 3.494,30 5.195,31 3.369,32 4.134,33 4.404,34 2.829,35 3.314,36 4.974,37 3.14,38 3.929,39 4.232,40 2.279,41 3.03,42 4.575,43 2.778,44 3.581,45 3.932,46 1.535,47 2.523,48 4.06,49 2.196,50 2.85,51 3.248,52 0.463,53 1.614,54 3.178,55 1.228,56 0.036,57 0.42,58 6.456,59 2.704,60 5.514,61 3.808,62 0.05,63 0.695,64 11.492,65 4.918,66 6.662,67 6.976,68 0.101,69 0.901,70 16.162,71 6.145,72 13.329,73 8.992,74 0.158,75 0.872,76 15.775,77 5.427,78 21.069,79 8.066,80 0.128,81 0.738,82 14.207,83 4.978,84 18.61,85 7.398,86 0.07,87 0.548,88 11.601,89 4.743,90 11.675,91 6.895,92 0.044,93 0.355,94 8.37,95 3.494,96 7.42,97 5.108,98 0.025,99 0.155,100 4.079,101 1.614,102 3.937,103 2.406,104 2,105 24,106 0.249,107 0.63,108 0.737,109 0.83,110 0.87,111 0.87,112 2.799,113 0.974,114 -3.44,115 -3.42,116 -3.27,121 44.8,123 4,144 4,145 2,146 1,148 2,165 1,166 1,167 1,176 8,180 4,185 2,187 9,189 2,192 4,197 2,200 6,203 2,206 2,208 1,209 1,211 4,214 6,216 4,224 2,227 8,229 2,239 6,251 2,281 142,282 10.414,283 10.414,284 10.414,285 10.414,286 10.414,287 9.074,288 7.039,289 6.183,290 10.479,291 8.4,292 8.4,293 8.4,294 8.4,295 8.4,296 6.368,297 3.386,298 2.924,299 8.526,300 3.566,301 1.586,302 1.034,303 0.552,304 0.345,305 0.345,306 3.476,311 1,312 1,313 189,314 1.581,318 70.902,322 78.581,325 0.889,326 8.084,329 1,330 0.67,331 0.83,332 0.8,333 0.5,334 1,335 1,336 0.83,337 31,338 85,339 4.625,340 3.333,341 6.769,342 4.185,343 3.203,344 4.554,346 11.036,347 3.144,348 3.912,349 2.662,350 5.982,351 3.524,352 2.532,353 3.433,355 8.37,356 2.512,357 3.472,358 2.246,359 5.279,360 3.048,361 2.087,362 2.852,364 6.329,365 2.003,366 2.935,367 1.571,368 4.116,369 2.509,370 1.518,371 2.139,373 3.329,374 1.502,375 2.583,376 1.439,377 3.757,378 2.345,379 1.347,380 1.61,382 3.225,383 1.343,384 2.486,385 1.35,386 3.594,387 2.242,388 1.247,389 1.486,391 2.902,392 1.24,393 1.95,394 0.916,395 3.39,396 1.744,397 0.764,398 0.883,400 1.804,401 0.748,402 1.337,403 0.121,404 2.843,405 0.95,411 0.916,412 -0.404,413 2.404,414 0.538,415 -0.445,416 -0.568,418 -1.091,419 -0.436,420 0.57,421 -0.625,422 2,423 0.139,424 -0.84,425 -0.933,427 -1.977,428 -0.82,429 0.263,430 -0.826,431 2,432 0.117,433 -0.879,434 -1.209,436 -2.123,437 -0.876,438 0.116,439 -1.1,440 1.541,441 -0.219,442 -1.205,443 -1.584,445 -3.218,446 -1.189,447 -0.222,448 -1.381,449 1.455,450 -0.556,451 -1.528,452 -1.905,454 -4.317,455 -1.488,456 -0.5,457 -1.728,458 1.184,459 -0.825,460 -1.802,461 -2.198,463 -5.194,464 -1.735,465 -0.5,466 -1.814,467 1.048,468 -1,469 -2,470 -2.561,472 -5.661,473 -1.947,474 7.3,475 0.487,476 0.312,477 0.021,478 19.75,479 1.317,480 10.5,481 0.7,482 9.25,483 0.617,484 10.241,485 0.683,486 15.5,487 0.534,488 10.417,489 0.694,490 3.526,491 0.235,492 3.834,493 0.256,494 0.055,496 0.342,501 1.065,502 1.004,503 0.879,504 0.897,505 1.144,506 0.877,507 0.682,508 1.174,509 0.871,510 1.063,511 0.6,512 0.996,513 1.003,514 1.135,515 0.877,516 0.974,517 0.816,518 0.926,519 1.531,520 1.104,521 1.17,522 1.054,523 1.404,524 1.078,525 1.659,526 0.941,527 1.29,528 1.034,529 1.729,530 1.116,531 0.696,532 0.919,533 1.111,534 1.113,535 0.948,536 1.139,537 0.249,538 0.81,539 0.866,540 0.982,541 0.393,542 0.974,543 0.175,544 0.57,545 0.61,546 0.691,547 0.266,548 0.685,549 2,551 1.778,552 1.188,553 1.08,554 0.236,555 0.078,559 1569,560 3058,561 2.186,562 48.3,563 6,564 4,567 2,568 2,572 1.537,573 2.093,574 2.568,575 0.366,579 1,582 37.473,583 1.292,584 3.272,585 3.823,586 4.306,587 4.513,588 4.513,589 1.933,590 3.107,591 3.886,592 2.554,593 268.133,594 6.537,595 2131.14,597 1,600 140.881,601 1.231,602 3.859,603 0.118,605 0.074,606 0.047,607 0.057,608 0.02,609 0.013,613 0.329,614 1,615 1,616 0.521,617 56.365,618 -0.102,619 0.119,620 0.041,621 0.112,622 -0.106,623 0.092,624 0.079,625 -0.146,626 0.051,627 -0.051,628 0.09,629 -0.011,630 0.059,631 -0.133,632 0.09,633 -0.012,634 0.107,635 0.032,636 -0.083,637 -0.054,638 -0.182,639 -0.142,640 -0.034,641 -0.165,642 -0.372,643 0.061,644 -0.307,645 -0.113,646 -0.36,647 -0.188,648 -0.077,649 -0.063,650 -0.157,651 -0.13,652 -0.159,653 -0.146,654 0.156,655 -0.049,656 0.101,657 0.015,658 0.081,659 0.046,660 0.288,661 0.13,662 0.394,663 0.29,664 0.236,665 0.34,666 0.713,667 2.2,668 0.933,669 6.373,670 0.983,671 1.12,672 2.209,673 4.878,674 0.675,675 2.89,676 3.219,677 3.555,678 3.85,679 4.111,680 4.111,681 4.174,682 4.205,683 4.205,684 3.807,685 3.459,686 0.628,687 198.29,688 2.89,689 4.419,690 5.293,691 6.184,692 7.076,693 7.974,694 8.871,695 9.771,696 10.669,697 11.57,698 6.9,702 1,708 1,714 2,715 4,716 1,720 3,722 11,733 1,741 29,743 11,744 1,745 17,747 31,748 13,749 9,750 2,751 4,756 3,757 6,767 4,770 4,772 9,773 4,790 1,793 14,794 2,795 2,796 2,802 2,808 0.333,822 1,829 3,833 2,859 1,868 15,869 1,876 4,901 7.167,902 5.117,903 3.278,904 1.933,907 2.411,908 1.378,909 1.052,910 1.962,911 8.783,912 3.157,913 3.818,914 4.494,915 5.135,916 5.749,917 6.056,918 6.403,919 6.723,920 7.009,921 6.654,922 0.75,923 25,924 5.555,925 -0.001,926 2.393,927 0.026,929 7.456,931 11.045,933 9.542,936 1.956,937 29.333,938 0.009,941 141.253,942 61.459,943 49.683,948 61.459,949 141.253,950 49.683,952 10.138,953 70.802,954 16.786,955 13.416,957 141.253,959 141.253,960 111.142,964 141.253,968 15.039,969 79.317,970 16.786,972 141.253,973 49.683,974 61.459,977 141.253,978 23.554,979 37.905,981 49.683,982 141.253,983 49.683,984 61.459,986 0.58,987 0.358,988 0.208,989 0.115,990 14,991 5,994 2,995 1.286,996 2.744,997 106.595,998 0.286,999 14,1000 58.603,1005 8.87,1006 3.318,1007 1.331,1008 2.147,1009 49.683,1010 8.146,1011 4.697,1015 3.465,1017 32.897,1018 252.395,1019 22.5,1031 28.505,1032 32.488,1034 0.266,1035 0.673,1036 0.787,1037 0.886,1038 0.929,1039 0.929,1040 4.379,1042 5.273,1043 1.804,1044 3.892,1045 4.5,1047 6.12,1048 3.859,1049 5.595,1050 -0.445,1051 6.849,1053 3.434,1054 4.407,1056 7.091,1057 3.374,1058 6.922,1059 -0.84,1060 8.534,1061 -1.091,1062 5.501,1063 6.825,1065 10.251,1066 5.434,1067 8.294,1068 -0.879,1069 10.285,1070 -1.977,1071 5.916,1072 7.603,1074 12.062,1075 5.821,1076 9.703,1077 -1.205,1078 12.078,1079 -2.123,1080 7.434,1081 9.484,1083 14.733,1084 7.331,1085 11.138,1086 -1.528,1087 13.897,1088 -3.218,1089 8.26,1090 10.659,1092 16.874,1093 8.13,1094 12.594,1095 -1.802,1096 15.736,1097 -4.317,1098 9.554,1099 12.324,1101 19.377,1102 9.414,1103 3.203,1104 -2,1105 17.588,1106 -5.194,1107 10.567,1108 13.684,1110 21.66,1111 10.403,1112 2.532,1113 11.036,1114 19.45,1115 -5.661,1116 11.774,1117 15.259,1119 24.1,1120 11.595,1121 2.087,1122 8.37,1123 21.32,1124 4.554,1125 12.87,1126 16.705,1128 26.445,1129 12.669,1130 1.518,1131 6.329,1132 23.196,1133 3.433,1134 14.045,1135 18.243,1137 28.861,1138 13.827,1139 1.347,1140 3.329,1141 25.077,1142 2.852,1143 15.178,1144 19.727,1146 31.236,1147 14.938,1148 1.247,1149 3.225,1150 26.963,1151 2.139,1152 16.343,1153 21.251,1155 33.642,1156 16.085,1157 0.764,1158 2.902,1159 28.852,1160 1.61,1161 17.491,1162 22.752,1164 36.03,1165 17.214,1166 1532,1167 2205,1168 11.731,1169 19.58,1170 25.424,1171 25.621,1172 26.284,1173 25.44,1174 25.399,1175 33.915,1177 73.989,1178 24.983,1179 5.57,1180 5.333,1181 6.454,1182 5.226,1183 5.203,1184 7.554,1186 18.567,1187 5.144,1188 3.991,1189 1.496,1190 1.507,1191 1.546,1192 1.496,1193 1.494,1194 1.995,1196 4.352,1197 1.47,1198 4.105,1199 4.135,1200 4.065,1201 4.034,1202 5.144,1203 4.038,1204 3.732,1205 3.781,1206 3.617,1207 3.65,1208 4.781,1209 3.636,1210 3.303,1211 3.374,1212 3.173,1213 3.168,1214 4.39,1215 3.161,1216 3.141,1217 3.22,1218 3.016,1219 2.97,1220 3.981,1221 2.968,1222 2.923,1223 3.019,1224 2.717,1225 2.763,1226 3.678,1227 2.743,1228 2.715,1229 2.833,1230 2.513,1231 2.547,1232 3.439,1233 2.531,1234 2.638,1235 2.709,1236 2.467,1237 2.355,1238 3.238,1239 2.37,1240 2.042,1241 2.187,1242 1.78,1243 1.718,1244 2.942,1245 1.706,1246 0.272,1247 0.196,1248 0.398,1249 0.246,1250 0.188,1251 4.625,1252 0.268,1253 3.333,1255 6.769,1256 0.649,1257 4.185,1258 0.185,1259 3.203,1260 4.554,1262 11.036,1263 3.144,1264 2.069,1265 2.043,1266 2.156,1267 2.158,1268 1.427,1269 2.159,1270 1.754,1271 1.709,1272 1.949,1273 1.872,1274 1.139,1275 1.902,1276 1.293,1277 1.236,1278 1.507,1279 1.493,1280 0.754,1281 1.503,1282 1.134,1283 1.059,1284 1.436,1285 1.349,1286 0.606,1287 1.381,1288 0.93,1289 0.857,1290 1.201,1291 1.179,1292 0.248,1293 1.196,1294 0.699,1295 0.623,1296 1.08,1297 1.002,1298 0.168,1299 1.039,1300 0.632,1301 0.509,1302 0.957,1303 0.852,1305 0.897,1306 0.058,1308 0.674,1309 0.452,1311 0.537,1312 3.555,1314 4.875,1316 6.435,1318 8.104,1320 9.827,1326 6.2,1328 4.679,1340 18.204,1341 37.473,1342 94.881,1343 110.881,1344 124.881,1345 130.881,1346 130.881,1347 15.467,1348 6.372,1349 38.91,1350 38.91,1351 18,1352 12.092,1353 3.585,1354 2.7,1355 19.787,1356 34,1357 20,1358 0.336,1359 112.242,1360 183.38,1361 265.631,1362 4073,1364 10.251,1365 0.683,1366 0.577,1367 10.251,1368 8.662,1369 7.36,1370 0.433,1371 0.325,1372 5.496,1373 7.266,1374 5.378,1375 4.446,1376 7.36,1377 5.52,1378 6.512,1379 0.271,1380 0.174,1381 6.512,1382 4.175,1383 5.892,1384 0.173,1385 0.095,1386 5.892,1387 3.213,1388 5.149,1389 0.112,1390 0.052,1391 5.149,1392 2.41,1393 4.302,1394 0.072,1395 0.03,1396 4.302,1397 1.792,1398 0.482,1399 44.858,1400 0.292,1401 14.609,1402 1.061,1403 82,1404 170.957,1405 85.081,1406 175.561,1407 253.61,1408 166,1409 99,1410 198.662,1411 102.497,1412 204.556,1413 302.82,1414 195,1415 6.6}
{0 CHEMBL95020,1 1.447,2 13.179,3 3.668,4 13.452,5 109.68,6 7.085,7 0.5,8 4.075,9 4.194,10 3.62,11 3.646,12 5.077,13 3.612,14 4.657,15 4.831,16 3.985,17 4.085,18 5.583,19 4.022,20 4.952,21 5.176,22 3.974,23 4.212,24 5.805,25 4.102,26 5.03,27 5.291,28 3.864,29 4.161,30 5.804,31 4.021,32 4.928,33 5.203,34 3.741,35 4.034,36 5.76,37 3.892,38 4.749,39 5,40 3.632,41 3.951,42 5.575,43 3.811,44 4.736,45 4.995,46 3.51,47 3.904,48 5.467,49 3.744,50 4.646,51 4.912,52 3.387,53 3.781,54 5.392,55 3.617,56 0.082,57 0.768,58 11.593,59 5.096,60 8.332,61 6.85,62 0.161,63 1.32,64 22.117,65 8.882,66 17,67 12.315,68 0.234,69 1.645,70 31.545,71 12.01,72 31.165,73 16.849,74 0.354,75 1.686,76 35.64,77 12.937,78 34.81,79 18.496,80 0.441,81 1.513,82 32.745,83 11.535,84 46.667,85 16.625,86 0.257,87 1.305,88 26.341,89 9.904,90 32.324,91 14.159,92 0.248,93 1.261,94 26.274,95 10.016,96 24.697,97 14.164,98 0.277,99 1.122,100 24.374,101 9.144,102 28.104,103 12.966,104 2,105 45,106 0.239,107 0.581,108 0.761,109 0.827,110 0.835,111 0.835,112 3.374,113 0.958,114 -4.35,115 -4.29,116 -4.04,121 43.4,123 5,124 1,127 3,144 7,145 3,146 1,148 1,154 1,160 1,168 1,176 13,180 8,183 1,185 3,187 14,192 10,197 1,200 10,206 9,209 1,211 1,214 7,218 1,219 7,222 1,227 11,231 1,232 2,237 1,239 12,243 1,244 2,249 1,251 12,255 1,256 2,261 1,264 7,269 4,274 2,277 4,281 1192,282 19.463,283 19.463,284 19.463,285 19.463,286 19.463,287 17.408,288 22.449,289 11.532,290 19.631,291 15.852,292 15.852,293 15.852,294 15.852,295 15.852,296 12.726,297 26.863,298 5.548,299 16.112,300 4.281,301 2.218,302 1.13,303 0.731,304 0.679,305 0.679,306 4.091,310 1,311 1,312 1,313 837,314 2.739,317 116.104,318 246.356,321 201.8,324 138.015,325 2.048,326 19.573,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 59.5,338 369,339 4.673,340 3.703,341 6.832,342 4.241,343 3.25,344 4.627,345 1.987,346 11.345,347 3.222,348 4.064,349 3.214,350 6.123,351 3.735,352 2.756,353 3.537,354 0.916,355 8.948,356 2.7,357 3.941,358 3.018,359 5.617,360 3.674,361 2.706,362 3.457,363 0.324,364 7.788,365 2.621,366 3.606,367 2.716,368 5.342,369 3.463,370 2.464,371 2.674,372 0.172,373 6.963,374 2.46,375 3.416,376 2.545,377 5.188,378 3.075,379 2.104,380 2.604,382 6.126,383 2.049,384 3.236,385 2.231,386 4.951,387 2.975,388 1.981,389 2.513,391 5.832,392 1.944,393 3.162,394 1.998,395 4.757,396 2.8,397 1.804,398 2.242,400 5.113,401 1.791,402 2.876,403 1.682,404 4.433,405 2.461,406 1.466,407 2.012,409 4.099,410 1.456,411 2.81,412 1.514,413 3.826,414 2.402,415 1.41,416 1.903,418 3.042,419 1.397,420 2.5,421 1.233,422 3.594,423 2.009,424 1.022,425 1.5,427 2.664,428 1.008,429 2.359,430 1.077,431 3.414,432 2,433 1,434 1.309,436 2.275,437 1,438 2,439 1,440 3.259,441 1.984,442 1,443 1,445 2.136,446 0.983,447 1.76,448 0.776,449 3.247,450 1.609,451 0.624,452 0.689,454 1.58,455 0.613,456 1.701,457 0.65,458 3.144,459 1.419,460 0.442,461 0.544,463 1.113,464 0.431,465 1.234,466 0.506,467 2.804,468 1.052,469 0.076,470 0.084,472 0.192,473 0.074,474 13.367,475 0.477,476 0.585,477 0.021,478 34.25,479 1.223,480 16,481 0.571,482 18.25,483 0.652,484 24.998,485 0.893,486 29.833,487 0.563,488 21.937,489 0.783,490 6.378,491 0.228,492 7.381,493 0.264,494 0.025,496 0.329,501 0.64,502 1.197,503 0.801,504 1.043,505 0.497,506 0.957,507 0.752,508 1.167,509 0.92,510 1.07,511 0.529,512 1.017,513 0.951,514 1.112,515 1.046,516 1.107,517 0.933,518 1.088,519 0.928,520 1.017,521 0.979,522 1.015,523 0.561,524 1.006,525 0.882,526 0.87,527 0.921,528 0.878,529 0.769,530 0.898,531 0.776,532 0.984,533 1.017,534 1.037,535 0.761,536 1.05,537 0.861,538 0.955,539 1.069,540 1.063,541 0.583,542 1.089,543 0.908,544 0.951,545 1.019,546 0.996,547 0.896,548 1.028,549 5,550 0.114,551 2.667,552 1.576,553 1.303,554 0.552,555 0.442,556 0.301,557 0.157,558 0.152,559 12230,560 27566,561 2.223,562 47.2,563 3,564 13,567 1,568 4,569 4,572 1.702,573 2.154,574 3.659,575 -0.394,577 1,582 76.687,583 1.447,584 3.51,585 4.597,586 4.997,587 5.049,588 5.049,589 3.128,590 4.28,591 4.779,592 3.835,593 1449.48,594 8.262,595 19961.7,597 1,599 1,600 303.58,601 1.108,602 4.769,603 0.156,604 0.006,605 0.059,606 0.038,607 0.036,608 0.017,609 0.015,610 0.012,611 0.007,612 0.007,613 0.354,614 0.33,615 0.88,616 0.343,617 143.674,618 0.124,619 -0.033,620 0.079,621 0.015,622 0.074,623 0.035,624 0.04,625 -0.061,626 -0.002,627 -0.055,628 0.07,629 -0.036,630 -0.067,631 -0.101,632 -0.088,633 -0.115,634 -0.037,635 -0.104,636 0.016,637 -0.069,638 0.012,639 -0.041,640 0.05,641 -0.02,642 0.097,643 0.071,644 0.084,645 0.084,646 0.097,647 0.083,648 0.02,649 -0.007,650 -0.051,651 -0.052,652 0.016,653 -0.057,654 -0.035,655 -0.008,656 -0.097,657 -0.073,658 -0.055,659 -0.091,660 0.006,661 -0.036,662 -0.032,663 -0.007,664 -0.076,665 -0.027,666 1.636,667 4.647,668 0.857,669 29.98,670 0.994,671 1.122,672 3.122,673 9.745,674 0.666,675 3.497,676 3.829,677 4.127,678 4.431,679 4.644,680 4.718,681 4.89,682 5.056,683 5.05,684 5.118,685 7.581,686 0.628,687 375.51,688 3.497,689 5.043,690 5.905,691 6.79,692 7.668,693 8.559,694 9.445,695 10.34,696 11.233,697 12.132,698 5.7,701 1,705 1,708 1,714 2,715 7,716 1,718 1,720 4,722 16,741 53,743 17,744 2,745 32,747 57,748 23,749 13,750 5,751 7,756 5,757 8,767 3,768 1,770 5,772 14,773 9,774 1,777 1,782 1,786 1,790 1,793 25,794 5,795 1,796 5,801 1,802 3,808 0.6,809 2,828 2,829 3,832 2,835 1,843 1,855 1,859 3,868 28,876 8,877 1,880 1,881 1,893 3.8,896 1,898 1,901 13,902 9.4,903 6.028,904 3.481,907 3.116,908 1.383,909 1.023,910 4.815,911 11.255,912 3.738,913 4.327,914 4.91,915 5.526,916 6.029,917 6.327,918 6.739,919 7.127,920 7.136,921 7.276,922 0.889,923 42,924 10.402,926 4.532,927 0.026,929 7.536,931 20.599,933 17.917,936 2.036,937 57,939 1,940 1,941 282.506,942 109.322,943 40.732,945 34.879,948 109.322,949 317.385,950 40.732,952 37.001,953 66.334,954 49.446,955 27.316,956 4.836,957 282.506,959 282.506,960 150.054,961 34.879,964 235.422,965 81.963,968 42.882,969 87.575,970 19.597,972 282.506,973 75.611,974 109.322,977 282.506,978 42.988,979 69.458,980 18.011,981 54.476,982 282.506,983 75.611,984 109.322,986 0.582,987 0.339,988 0.19,989 0.103,990 24,991 9,992 0.088,993 5,994 2,995 1.167,996 4.23,997 245.075,998 0.167,999 24,1000 126.606,1005 17.752,1006 7.595,1007 3.692,1008 1.847,1009 75.611,1010 14.742,1011 4.329,1013 5.613,1015 4.251,1017 18.011,1018 467.439,1019 41,1024 11.647,1028 0.03,1031 52.68,1032 59.481,1034 0.253,1035 0.613,1036 0.803,1037 0.872,1038 0.881,1039 0.881,1040 4.984,1041 1.466,1042 5.878,1043 5.113,1044 4.511,1045 5.014,1046 2.249,1047 6.683,1048 4.48,1049 6.168,1050 1.41,1051 7.424,1052 4.099,1053 4.007,1054 4.783,1055 1.668,1056 7.545,1057 3.964,1058 7.466,1059 1.022,1060 9.068,1061 3.042,1062 6.094,1063 7.201,1064 3.142,1065 10.67,1066 6.032,1067 8.801,1068 1,1069 10.773,1070 2.664,1071 6.447,1072 7.883,1073 3.188,1074 12.427,1075 6.374,1076 10.174,1077 1,1078 12.52,1079 2.275,1080 7.966,1081 9.762,1082 4.321,1083 15.063,1084 7.878,1085 11.573,1086 0.624,1087 14.298,1088 2.136,1089 8.731,1090 10.89,1091 4.658,1092 17.202,1093 8.634,1094 12.996,1095 0.442,1096 16.099,1097 1.58,1098 10.018,1099 12.555,1100 5.603,1101 19.686,1102 9.91,1103 3.25,1104 0.076,1105 17.918,1106 1.113,1107 10.986,1108 13.899,1109 6.092,1110 21.988,1111 10.871,1112 2.756,1113 11.345,1114 19.754,1115 0.192,1116 12.182,1117 15.477,1118 6.928,1119 24.427,1120 12.057,1121 2.706,1122 8.948,1123 21.602,1124 4.627,1125 13.249,1126 16.922,1127 7.501,1128 26.797,1129 13.119,1130 2.464,1131 7.788,1132 23.461,1133 3.537,1134 14.414,1135 18.467,1136 8.273,1137 29.223,1138 14.276,1139 2.104,1140 6.963,1141 25.329,1142 3.457,1143 15.53,1144 19.958,1145 8.894,1146 31.624,1147 15.386,1148 1.981,1149 6.126,1150 27.205,1151 2.674,1152 16.688,1153 21.492,1154 9.631,1155 34.048,1156 16.537,1157 1.804,1158 5.832,1159 29.088,1160 2.604,1161 17.829,1162 23.004,1163 10.279,1164 36.463,1165 17.672,1166 11062,1167 16818,1168 22.364,1169 35.302,1170 48.331,1171 49.13,1172 48.704,1173 48.172,1174 48.21,1175 61.389,1176 6.799,1177 138.434,1178 47.494,1179 5.673,1180 5.703,1181 6.634,1182 5.276,1183 5.25,1184 7.627,1185 3.497,1186 18.791,1187 5.222,1188 7.202,1189 1.51,1190 1.535,1191 1.522,1192 1.505,1193 1.507,1194 1.918,1195 0.212,1196 4.326,1197 1.484,1198 4.138,1199 4.155,1200 4.11,1201 4.032,1202 7.429,1203 4.046,1204 3.95,1205 3.996,1206 3.864,1207 3.866,1208 5.249,1209 3.86,1210 3.823,1211 3.869,1212 3.71,1213 3.721,1214 4.756,1215 3.711,1216 3.644,1217 3.685,1218 3.584,1219 3.462,1220 4.494,1221 3.482,1222 3.376,1223 3.441,1224 3.238,1225 3.197,1226 4.32,1227 3.198,1228 3.191,1229 3.241,1230 3.094,1231 3.027,1232 3.994,1233 3.03,1234 3.111,1235 3.206,1236 2.917,1237 2.941,1238 3.861,1239 2.91,1240 3.076,1241 3.138,1242 2.866,1243 2.893,1244 3.674,1245 2.894,1246 0.146,1247 0.116,1248 0.213,1249 0.133,1250 0.102,1251 4.673,1252 0.145,1253 3.703,1254 0.062,1255 6.832,1256 0.355,1257 4.241,1258 0.101,1259 3.25,1260 4.627,1261 1.987,1262 11.345,1263 3.222,1264 1.949,1265 1.925,1266 2.106,1267 2.07,1268 1.487,1269 2.085,1270 1.921,1271 1.892,1272 2.025,1273 1.998,1274 1.233,1275 2.004,1276 1.829,1277 1.783,1278 1.979,1279 1.944,1280 1.153,1281 1.961,1282 1.511,1283 1.458,1284 1.73,1285 1.72,1286 1.006,1287 1.719,1288 1.411,1289 1.367,1290 1.596,1291 1.667,1292 0.825,1293 1.639,1294 1.215,1295 1.153,1296 1.513,1297 1.444,1298 0.764,1299 1.441,1300 1.153,1301 1.064,1302 1.459,1303 1.376,1304 0.678,1305 1.429,1306 1.002,1307 0.939,1308 1.234,1309 1.258,1310 0.444,1311 1.248,1312 4.174,1314 5.501,1315 3.045,1316 7.017,1317 5.416,1318 8.618,1319 7.526,1320 10.269,1328 8.361,1329 2.873,1332 0.747,1333 2.56,1340 33.289,1341 76.687,1342 186.035,1343 243.664,1344 264.825,1345 267.58,1346 267.58,1347 39.868,1348 8.139,1349 58.37,1350 58.37,1351 28,1352 12.656,1353 4.17,1354 3.322,1355 38.083,1356 130,1357 122,1358 0.142,1359 199.384,1360 341.42,1361 478.256,1362 44864,1364 18.924,1365 0.676,1366 0.571,1367 18.924,1368 15.987,1369 13.759,1370 0.43,1371 0.319,1372 10.122,1373 13.337,1374 9.927,1375 8.158,1376 13.759,1377 10.223,1378 12.447,1379 0.277,1380 0.179,1381 12.447,1382 8.066,1383 10.736,1384 0.176,1385 0.101,1386 10.736,1387 6.175,1388 9.332,1389 0.112,1390 0.055,1391 9.332,1392 4.553,1393 7.598,1394 0.074,1395 0.032,1396 7.598,1397 3.296,1398 0.232,1399 85.515,1400 0.211,1401 27.376,1402 0.368,1403 154,1404 387.094,1405 165.613,1406 375.915,1407 524.18,1408 354,1409 183,1410 399.026,1411 195.807,1412 401.128,1413 586.76,1414 379,1415 8.442}
{0 CHEMBL96246,1 1.342,2 11.667,3 4.655,4 21.669,5 99.102,6 6.923,7 0.593,8 3.917,9 4.034,10 3.447,11 3.515,12 4.924,13 3.468,14 4.462,15 4.636,16 3.759,17 3.914,18 5.365,19 3.84,20 4.745,21 4.977,22 3.727,23 4.029,24 5.547,25 3.899,26 4.794,27 5.07,28 3.537,29 3.936,30 5.523,31 3.77,32 4.625,33 4.904,34 3.417,35 3.806,36 5.327,37 3.647,38 4.534,39 4.78,40 3.427,41 3.79,42 5.292,43 3.644,44 4.558,45 4.813,46 3.334,47 3.744,48 5.306,49 3.582,50 4.419,51 4.685,52 3.14,53 3.578,54 5.15,55 3.4,56 0.091,57 0.627,58 10.121,59 4.463,60 9.524,61 6.073,62 0.114,63 1.071,64 18.392,65 7.41,66 13.952,67 10.296,68 0.163,69 1.347,70 25.567,71 10.258,72 22.172,73 14.476,74 0.221,75 1.372,76 27.973,77 10.632,78 26.013,79 15.221,80 0.183,81 1.163,82 23.522,83 9.063,84 20.358,85 13.033,86 0.147,87 1.079,88 20.904,89 8.304,90 17.069,91 11.772,92 0.208,93 1.071,94 21.864,95 8.586,96 20.934,97 11.962,98 0.2,99 0.913,100 19.141,101 7.612,102 18.52,103 10.714,105 36,106 0.229,107 0.54,108 0.705,109 0.796,110 0.832,111 0.832,112 3.227,113 0.964,114 -4.84,115 -4.75,116 -4.46,121 45.7,123 2,124 1,127 3,137 2,144 9,145 2,148 1,154 1,168 1,176 14,180 7,187 15,192 9,200 9,206 8,214 6,219 5,227 11,232 2,239 12,243 1,244 1,251 12,255 1,256 1,264 7,269 3,277 4,281 806,282 16.861,283 16.861,284 16.861,285 16.861,286 16.861,287 14.823,288 13.865,289 10.268,290 17.003,291 13.381,292 13.381,293 13.381,294 13.381,295 13.381,296 10.403,297 18.534,298 4.933,299 13.606,300 4.181,301 2.362,302 1.394,303 0.861,304 0.652,305 0.652,306 3.935,311 1,312 1,313 626,314 2.449,317 55.262,318 229.149,321 103.405,325 1.972,326 9.7,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 50,338 280,339 4.532,340 3.073,341 6.526,342 4.054,343 3.063,344 4.485,345 0.916,346 10.265,347 3.034,348 3.942,349 3.024,350 5.617,351 3.688,352 2.724,353 3.457,354 0.172,355 7.789,356 2.632,357 3.69,358 2.679,359 5.344,360 3.471,361 2.472,362 2.934,364 6.973,365 2.468,366 3.443,367 2.34,368 5.116,369 3.082,370 2.118,371 2.626,373 6.035,374 2.038,375 3.185,376 1.987,377 4.944,378 2.928,379 1.953,380 2.319,382 5.771,383 1.895,384 3.046,385 1.546,386 4.185,387 2.544,388 1.546,389 2.289,391 3.763,392 1.543,393 2.842,394 1.523,395 3.602,396 2.417,397 1.422,398 1.958,400 3.044,401 1.414,402 2.673,403 1.208,404 3.586,405 2.197,406 1.204,407 1.733,409 2.814,410 1.195,411 2.5,412 1.077,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.355,421 1,422 3.286,423 1.984,424 1,425 1.188,427 2.136,428 0.983,429 2,430 0.86,431 3.247,432 1.807,433 0.819,434 1,436 1.896,437 0.808,438 1.952,439 0.548,440 3.018,441 1.455,442 0.462,443 0.643,445 1.09,446 0.458,447 1.256,448 0.241,449 2.77,450 1.032,451 0.057,452 0.068,454 0.143,455 0.056,456 0.779,457 -0.268,458 2.243,459 0.528,460 -0.464,461 -0.537,463 -1.099,464 -0.46,465 0.669,466 -0.709,467 2,468 0.222,469 -0.774,470 -0.993,472 -1.812,473 -0.77,474 11.633,475 0.485,476 0.376,477 0.016,478 30.5,479 1.271,480 15.5,481 0.646,482 15,483 0.625,484 18.329,485 0.764,486 24.967,487 0.543,488 18.809,489 0.784,490 6.001,491 0.25,492 5.881,493 0.245,496 0.249,501 0.639,502 1.143,503 0.828,504 1.025,505 0.643,506 0.958,507 1.042,508 1.15,509 1.016,510 1.068,511 0.806,512 1.035,513 0.905,514 1.121,515 1.034,516 1.1,517 0.75,518 1.079,519 1.038,520 1.001,521 1.004,522 0.978,523 0.929,524 0.986,525 0.89,526 0.874,527 0.925,528 0.87,529 0.963,530 0.892,531 0.928,532 1.024,533 1.065,534 1.057,535 1.162,536 1.066,537 1.222,538 0.943,539 1.113,540 1.035,541 1.316,542 1.066,543 0.99,544 0.999,545 1.04,546 1.026,547 1.069,548 1.048,549 3.5,550 0.062,551 2,552 0.979,553 0.716,554 0.306,555 0.331,556 0.205,557 0.083,558 0.093,559 7924,560 17004,561 2.213,562 47.8,563 1,564 17,569 4,572 1.66,573 2.182,574 3.5,575 -0.864,582 61.738,583 1.342,584 3.162,585 4.129,586 4.662,587 4.871,588 4.871,589 2.924,590 4.168,591 4.558,592 3.673,593 1013.63,594 7.817,595 12529.9,597 1,600 254.084,601 0.811,602 4.56,603 0.13,604 0.005,605 0.056,606 0.03,607 0.028,608 0.013,609 0.014,610 0.01,611 0.005,612 0.007,613 0.295,614 0.5,615 1,617 117.023,618 0.268,619 -0.043,620 0.086,621 -0.005,622 0.231,623 0.017,624 -0.064,625 -0.065,626 -0.07,627 -0.087,628 0.03,629 -0.077,630 -0.025,631 -0.125,632 -0.07,633 -0.12,634 0.106,635 -0.102,636 -0.047,637 -0.042,638 -0.01,639 -0.016,640 0.031,641 -0.011,642 -0.04,643 0.089,644 0.061,645 0.099,646 -0.069,647 0.092,648 -0.068,649 -0.037,650 -0.098,651 -0.08,652 -0.22,653 -0.087,654 -0.066,655 0.01,656 -0.12,657 -0.061,658 -0.219,659 -0.092,660 0.069,661 -0.079,662 -0.049,663 -0.043,664 -0.083,665 -0.06,666 0.81,667 1.863,668 0.875,669 22.75,670 0.986,671 1.116,672 3.61,673 13.029,674 0.676,675 3.332,676 3.611,677 3.871,678 4.111,679 4.29,680 4.234,681 4.344,682 4.466,683 4.443,684 4.533,685 6.862,686 0.631,687 318.45,688 3.332,689 4.844,690 5.68,691 6.532,692 7.381,693 8.238,694 9.091,695 9.951,696 10.807,697 11.668,698 4.3,701 1,708 1,714 2,715 9,716 1,718 1,720 2,722 16,741 46,743 17,744 2,745 27,747 49,748 21,749 13,750 3,751 9,752 2,756 4,757 5,767 2,768 1,770 2,772 15,773 6,774 1,777 1,784 2,790 1,793 22,794 3,796 3,801 1,802 2,808 0.75,809 1,828 1,829 3,832 1,849 2,855 1,859 3,868 24,876 5,880 1,881 1,893 2.2,898 1,901 11,902 8.067,903 5.306,904 2.925,907 3.522,908 1.482,909 1.007,910 4.546,911 10.83,912 3.611,913 4.171,914 4.761,915 5.337,916 5.799,917 5.973,918 6.33,919 6.685,920 6.611,921 6.897,922 0.875,923 33,924 8.868,926 3.725,927 0.026,929 7.417,931 17.644,933 14.833,936 1.917,937 46,938 0.001,940 1,941 258.964,942 128.976,943 22.721,945 9.734,948 128.976,949 268.698,950 22.721,952 11.386,953 104.239,954 19.597,955 21.374,956 4.836,957 258.964,959 258.964,960 151.697,961 9.734,964 211.88,965 56.819,968 17.267,969 95.881,970 38.549,972 258.964,973 32.455,974 128.976,977 258.964,978 24.738,979 107.363,981 29.331,982 258.964,983 32.455,984 128.976,986 0.568,987 0.328,988 0.18,989 0.096,990 18,991 6,992 0.082,993 4,994 1,995 1.095,996 3.909,997 188.507,998 0.095,999 21,1000 102.039,1005 15.315,1006 7.124,1007 3.664,1008 1.949,1009 32.455,1010 18.76,1011 4.178,1013 5.363,1015 2.345,1018 420.396,1019 36,1026 4.438,1031 45.367,1032 51.358,1034 0.243,1035 0.572,1036 0.748,1037 0.844,1038 0.882,1039 0.882,1040 4.812,1041 1.204,1042 5.617,1043 3.044,1044 4.29,1045 4.856,1046 0.918,1047 6.358,1048 4.258,1049 5.976,1050 1,1051 7.12,1052 2.814,1053 3.611,1054 4.388,1055 0.325,1056 7.096,1057 3.549,1058 7.245,1059 1,1060 8.724,1061 2.275,1062 5.808,1063 7.018,1064 0.671,1065 10.187,1066 5.742,1067 8.552,1068 0.819,1069 10.39,1070 2.136,1071 6.019,1072 7.538,1073 0.393,1074 11.84,1075 5.929,1076 9.898,1077 0.462,1078 12.099,1079 1.896,1080 7.603,1081 9.536,1082 0.533,1083 14.406,1084 7.508,1085 11.272,1086 0.057,1087 13.84,1088 1.09,1089 8.252,1090 10.561,1091 0.384,1092 16.446,1093 8.14,1094 12.671,1095 -0.464,1096 15.604,1097 0.143,1098 9.563,1099 12.277,1100 0.438,1101 18.843,1102 9.443,1103 3.063,1104 -0.774,1105 17.386,1106 -1.099,1107 10.437,1108 13.555,1109 0.351,1110 21.049,1111 10.305,1112 2.724,1113 10.265,1114 19.183,1115 -1.812,1116 11.624,1117 15.146,1118 0.366,1119 23.394,1120 11.483,1121 2.472,1122 7.789,1123 20.993,1124 4.485,1125 12.613,1126 16.544,1127 0.312,1128 25.67,1129 12.462,1130 2.118,1131 6.973,1132 22.812,1133 3.457,1134 13.746,1135 18.08,1136 0.309,1137 28,1138 13.587,1139 1.953,1140 6.035,1141 24.641,1142 2.934,1143 14.793,1144 19.534,1145 0.273,1146 30.305,1147 14.625,1148 1.546,1149 5.771,1150 26.476,1151 2.626,1152 15.905,1153 21.048,1154 0.262,1155 32.632,1156 15.73,1157 1.422,1158 3.763,1159 28.318,1160 2.319,1161 16.981,1162 22.527,1163 0.236,1164 34.949,1165 16.798,1166 7277,1167 10792,1168 19.068,1169 31.08,1170 40.319,1171 39.745,1172 39.975,1173 39.702,1174 39.682,1175 52.401,1176 2.178,1177 107.99,1178 39.049,1179 5.532,1180 5.073,1181 6.328,1182 5.089,1183 5.063,1184 7.485,1185 1.605,1186 16.922,1187 5.034,1189 1.493,1190 1.472,1191 1.481,1192 1.47,1193 1.47,1194 1.941,1195 0.081,1196 4,1197 1.446,1198 4.092,1199 4.109,1200 4.059,1201 3.987,1202 5.27,1203 3.999,1204 3.945,1205 3.988,1206 3.862,1207 3.863,1208 4.756,1209 3.858,1210 3.811,1211 3.857,1212 3.702,1213 3.713,1214 4.472,1215 3.703,1216 3.457,1217 3.511,1218 3.358,1219 3.329,1220 4.4,1221 3.329,1222 3.247,1223 3.303,1224 3.141,1225 3.068,1226 4.128,1227 3.072,1228 3.111,1229 3.206,1230 2.911,1231 2.941,1232 3.765,1233 2.91,1234 3.046,1235 3.098,1236 2.866,1237 2.872,1238 3.674,1239 2.876,1240 2.876,1241 2.936,1242 2.737,1243 2.758,1244 3.638,1245 2.746,1246 0.168,1247 0.114,1248 0.242,1249 0.15,1250 0.113,1251 4.532,1252 0.166,1253 3.073,1254 0.034,1255 6.526,1256 0.38,1257 4.054,1258 0.112,1259 3.063,1260 4.485,1261 0.916,1262 10.265,1263 3.034,1264 1.947,1265 1.92,1266 2.094,1267 2.065,1268 1.435,1269 2.078,1270 1.918,1271 1.89,1272 2.026,1273 1.998,1274 1.151,1275 2.006,1276 1.822,1277 1.778,1278 1.988,1279 1.939,1280 1.122,1281 1.958,1282 1.472,1283 1.424,1284 1.649,1285 1.667,1286 0.825,1287 1.655,1288 1.196,1289 1.135,1290 1.513,1291 1.428,1292 0.797,1293 1.429,1294 1.153,1295 1.064,1296 1.439,1297 1.376,1298 0.603,1299 1.422,1300 0.982,1301 0.943,1302 1.213,1303 1.243,1304 0.382,1305 1.23,1306 0.896,1307 0.854,1308 1.181,1309 1.064,1310 0.218,1311 1.107,1312 4.007,1314 5.293,1315 2.398,1316 6.777,1317 4.727,1318 8.343,1319 6.823,1320 9.949,1328 5.788,1332 0.632,1333 2.547,1340 29.026,1341 61.738,1342 145.447,1343 189.945,1344 214.474,1345 224.084,1346 224.084,1347 27.443,1348 7.308,1349 29.27,1350 29.27,1351 23,1352 12.219,1353 4.17,1354 3.322,1355 34.226,1356 100,1357 88,1358 0.165,1359 176.802,1360 299.39,1361 423.156,1362 16163,1364 16.192,1365 0.675,1366 0.574,1367 16.192,1368 13.766,1369 11.882,1370 0.44,1371 0.321,1372 8.601,1373 11.59,1374 8.42,1375 6.98,1376 11.882,1377 8.672,1378 10.25,1379 0.285,1380 0.181,1381 10.25,1382 6.522,1383 8.785,1384 0.187,1385 0.102,1386 8.785,1387 4.813,1388 7.316,1389 0.122,1390 0.057,1391 7.316,1392 3.398,1393 5.915,1394 0.082,1395 0.034,1396 5.915,1397 2.457,1398 0.268,1399 73.268,1400 0.229,1401 24.101,1402 0.427,1403 126,1404 297.026,1405 133.345,1406 293.753,1407 414.54,1408 278,1409 146,1410 319.136,1411 154.815,1412 323.109,1413 467.16,1414 305,1415 6.678}
{0 CHEMBL98497,1 1.619,2 14.926,3 2.432,4 5.915,5 103.714,6 7.303,7 0.429,8 4.012,9 4.139,10 3.54,11 3.459,12 5.169,13 3.45,14 4.529,15 4.712,16 3.803,17 3.796,18 5.755,19 3.758,20 4.747,21 4.964,22 3.788,23 3.911,24 5.804,25 3.83,26 4.833,27 5.092,28 3.699,29 3.839,30 5.876,31 3.742,32 4.745,33 4.998,34 3.598,35 3.724,36 5.829,37 3.636,38 4.596,39 4.847,40 3.479,41 3.682,42 5.571,43 3.563,44 4.631,45 4.9,46 3.417,47 3.61,48 5.58,49 3.485,50 4.515,51 4.779,52 3.42,53 3.452,54 5.796,55 3.365,56 0.156,57 0.736,58 10.817,59 4.27,60 10.525,61 5.938,62 0.486,63 1.081,64 20.303,65 6.685,66 56.774,67 9.53,68 0.475,69 1.243,70 26.12,71 8.405,72 45.873,73 12.307,74 0.486,75 1.209,76 30.191,77 8.841,78 69.781,79 13.412,80 0.75,81 1.074,82 28.417,83 7.675,84 83.677,85 11.435,86 0.424,87 1.002,88 23.184,89 7.44,90 45.754,91 11.096,92 0.445,93 0.949,94 24.962,95 7.638,96 54.735,97 11.413,98 0.748,99 0.822,100 22.907,101 6.031,102 104.646,103 9.218,104 18,105 35,106 0.273,107 0.576,108 0.725,109 0.813,110 0.848,111 0.848,112 3.338,113 0.926,114 -3.62,115 -3.59,116 -3.42,121 37.3,126 1,127 5,144 9,145 1,146 2,161 1,168 2,176 8,179 1,180 3,183 2,184 1,185 2,187 8,191 1,192 8,195 1,197 2,200 5,206 8,211 2,218 1,219 4,222 2,224 2,232 2,235 3,243 1,244 4,247 1,255 3,256 3,259 3,261 1,274 2,281 1258,282 18.035,283 18.035,284 18.035,285 18.035,286 18.035,287 16.101,288 24.517,289 11.265,290 18.462,291 13.85,292 13.85,293 13.85,294 13.85,295 13.85,296 11.037,297 31.155,298 5.428,299 14.472,300 4.054,301 2.258,302 1.373,303 0.853,304 0.642,305 0.642,306 4.006,310 1,311 1,312 1,313 831,314 4.301,318 227.418,325 2.31,326 29.31,328 1,329 1,330 0.83,331 0.83,332 1,333 1,334 1,335 1,336 0.95,337 60,338 403,339 4.258,340 3.778,341 5.931,342 3.769,343 2.797,344 3.953,345 2.612,346 8.246,347 2.714,348 3.927,349 3.545,350 5.484,351 3.596,352 2.625,353 3.455,354 1.656,355 7.392,356 2.558,357 3.869,358 2.95,359 5.453,360 3.479,361 2.516,362 3.287,363 0.916,364 7.244,365 2.412,366 3.491,367 2.559,368 4.819,369 3.107,370 2.167,371 2.717,372 0.86,373 5.519,374 2.033,375 3.294,376 2.461,377 4.802,378 3.054,379 2.077,380 2.364,381 0.247,382 5.446,383 2.012,384 2.916,385 2.237,386 3.797,387 2.573,388 1.668,389 2.009,390 0.172,391 3.445,392 1.504,393 2.856,394 1.91,395 3.73,396 2.4,397 1.413,398 1.967,400 3.018,401 1.387,402 2.672,403 1.558,404 3.568,405 2.232,406 1.245,407 1.671,409 2.912,410 1.226,411 2.5,412 1.461,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.5,421 1,422 3.247,423 2,424 1,425 1.5,427 2.136,428 1,429 2.075,430 1,431 3.204,432 1.94,433 1,434 1.048,436 2.112,437 0.931,438 1.376,439 1,440 2.815,441 1.218,442 0.304,443 0.318,445 0.683,446 0.276,447 1.286,448 0.817,449 2.5,450 0.899,451 -0.074,452 -0.09,454 -0.18,455 -0.071,456 1.015,457 0.551,458 2.123,459 0.761,460 -0.212,461 -0.249,463 -0.489,464 -0.204,465 1,466 0.184,467 2,468 0.362,469 -0.583,470 -0.629,472 -1.25,473 -0.542,474 12.433,475 0.46,476 0.544,477 0.02,478 34.25,479 1.269,480 17,481 0.63,482 17.25,483 0.639,484 19.147,485 0.709,486 30.767,487 0.603,488 25.824,489 0.956,490 7.328,491 0.271,492 5.713,493 0.212,494 0.121,496 0.225,501 0.596,502 1.449,503 0.801,504 1.213,505 0.521,506 1.07,507 0.841,508 1.067,509 0.979,510 1.016,511 0.461,512 1.016,513 0.895,514 1.149,515 1.067,516 1.145,517 0.682,518 1.139,519 0.956,520 1.088,521 0.931,522 1.053,523 0.905,524 0.995,525 1.192,526 0.798,527 1.043,528 0.81,529 1.079,530 0.883,531 0.689,532 1.014,533 0.992,534 1.124,535 0.583,536 1.121,537 0.829,538 0.993,539 0.903,540 1.06,541 0.757,542 1.016,543 0.848,544 0.677,545 0.869,546 0.74,547 0.573,548 0.797,549 5,550 0.124,551 2,552 1.313,553 0.973,554 0.528,555 0.323,556 0.212,557 0.164,558 0.071,559 10884,560 33249,561 1.975,562 47.1,564 22,567 2,572 1.689,573 1.862,574 3.847,575 0.304,576 1,577 1,582 82.544,583 1.619,584 3.414,585 4.299,586 4.819,587 5.03,588 5.03,589 3.282,590 4.134,591 4.729,592 4.056,593 1423.6,594 8.144,595 21173.1,597 1,599 1,600 289.294,601 1.311,602 4.691,603 0.179,604 0.007,605 0.057,606 0.04,607 0.034,608 0.02,609 0.014,610 0.01,611 0.008,612 0.004,613 0.372,614 0.33,615 1,616 0.76,617 141.553,618 0.111,619 -0.142,620 0.047,621 -0.066,622 -0.005,623 -0.036,624 0.073,625 0.086,626 -0.052,627 0.02,628 0.18,629 -0.032,630 -0.045,631 -0.094,632 -0.127,633 -0.129,634 -0.01,635 -0.143,636 -0.056,637 -0.166,638 0.055,639 -0.09,640 0.001,641 -0.005,642 -0.056,643 0.112,644 -0.016,645 0.111,646 -0.064,647 0.065,648 0.072,649 -0.032,650 -0.041,651 -0.13,652 0.033,653 -0.114,654 0.05,655 -0.112,656 0.087,657 -0.09,658 -0.001,659 -0.012,660 0.282,661 0.209,662 0.172,663 0.159,664 0.368,665 0.145,666 2.488,667 4.755,668 0.444,669 31.429,670 1.011,671 1.137,672 2.388,673 5.701,674 0.636,675 3.367,676 3.584,677 3.689,678 3.807,679 3.912,680 3.807,681 3.784,682 3.714,683 3.497,684 3.434,685 8.813,686 0.612,687 372.47,688 3.367,689 4.844,690 5.617,691 6.425,692 7.212,693 8.023,694 8.815,695 9.628,696 10.424,697 11.237,698 7.8,701 1,705 2,709 1,715 9,720 3,722 12,735 1,741 51,743 15,744 2,745 28,747 52,748 19,749 12,750 3,751 9,756 2,757 2,761 1,772 13,773 6,777 3,779 1,782 3,786 1,789 1,790 1,793 24,794 7,795 2,796 8,802 4,808 1,809 4,829 2,855 1,858 1,859 2,864 1,868 27,876 5,877 2,878 1,881 1,893 7.8,896 1,897 1,899 2,901 14.5,902 9.067,903 6.194,904 2.829,907 1.96,908 1.298,909 0.926,910 8.713,911 8.529,912 3.638,913 4.111,914 4.477,915 4.905,916 5.339,917 5.292,918 5.423,919 5.396,920 4.803,921 4.778,922 0.9,923 33,924 9.943,926 4.002,927 0.026,929 8.006,931 18.599,933 14.141,936 2.506,937 67.667,940 1,941 258.964,942 122.159,943 44.816,945 86.892,948 122.159,949 345.856,950 44.816,951 14.066,952 51.523,953 85.286,954 36.145,955 11.823,956 4.276,957 258.964,958 50.747,959 258.964,960 166.975,961 86.892,964 258.964,965 25.145,966 61.747,968 54.648,969 106.657,970 5.67,972 258.964,973 131.708,974 122.159,977 258.964,978 28.477,979 102.477,980 36.022,981 86.892,982 258.964,983 131.708,984 122.159,986 0.558,987 0.298,988 0.148,989 0.077,990 12,991 6,992 0.192,993 10,995 1,996 4.151,997 190.391,999 12,1000 118.382,1005 20.84,1006 11.289,1007 8.175,1009 126.038,1010 15.857,1015 1.72,1017 36.022,1018 512.831,1019 37,1021 -0.488,1024 32.925,1028 -0.381,1031 51.552,1032 57.983,1034 0.285,1035 0.602,1036 0.758,1037 0.85,1038 0.887,1039 0.887,1040 4.812,1041 1.245,1042 5.541,1043 3.018,1044 4.263,1045 4.796,1046 2.995,1047 6.188,1048 4.185,1049 5.96,1050 1,1051 7,1052 2.912,1053 3.611,1054 4.425,1055 2.587,1056 6.749,1057 3.509,1058 7.211,1059 1,1060 8.554,1061 2.275,1062 5.7,1063 6.83,1064 4.33,1065 9.749,1066 5.551,1067 8.494,1068 1,1069 10.163,1070 2.136,1071 5.832,1072 7.261,1073 4.608,1074 11.126,1075 5.659,1076 9.808,1077 0.304,1078 11.809,1079 2.112,1080 7.375,1081 9.157,1082 6.014,1083 13.592,1084 7.164,1085 11.142,1086 -0.074,1087 13.479,1088 0.683,1089 7.897,1090 9.976,1091 6.597,1092 15.325,1093 7.661,1094 12.493,1095 -0.212,1096 15.166,1097 -0.18,1098 9.176,1099 11.639,1100 7.82,1101 17.573,1102 8.91,1103 2.797,1104 -0.583,1105 16.867,1106 -0.489,1107 9.912,1108 12.67,1109 8.565,1110 19.48,1111 9.616,1112 2.625,1113 8.246,1114 18.578,1115 -1.25,1116 11.055,1117 14.207,1118 9.68,1119 21.632,1120 10.734,1121 2.516,1122 7.392,1123 20.296,1124 3.953,1125 11.909,1126 15.364,1127 10.515,1128 23.627,1129 11.557,1130 2.167,1131 7.244,1132 22.021,1133 3.455,1134 12.982,1135 16.829,1136 11.567,1137 25.737,1138 12.606,1139 2.077,1140 5.519,1141 23.751,1142 3.287,1143 13.903,1144 18.064,1145 12.455,1146 27.776,1147 13.495,1148 1.668,1149 5.446,1150 25.485,1151 2.717,1152 14.941,1153 19.487,1154 13.469,1155 29.871,1156 14.509,1157 1.413,1158 3.445,1159 27.223,1160 2.364,1161 15.899,1162 20.772,1163 14.387,1164 31.934,1165 15.436,1166 10781,1167 19118,1168 18.375,1169 32.455,1170 39.753,1171 41.655,1172 40.531,1173 39.594,1174 39.626,1175 51.575,1176 12.929,1177 100.855,1178 38.106,1179 5.221,1180 5.778,1181 5.758,1182 4.845,1183 4.797,1184 6.953,1185 4.612,1186 13.867,1187 4.714,1188 14.094,1189 1.42,1190 1.488,1191 1.448,1192 1.414,1193 1.415,1194 1.842,1195 0.462,1196 3.602,1197 1.361,1198 3.994,1199 4.026,1200 3.954,1201 3.87,1202 7.815,1203 3.875,1204 3.923,1205 3.96,1206 3.846,1207 3.842,1208 7.431,1209 3.841,1210 3.701,1211 3.756,1212 3.609,1213 3.463,1214 6.999,1215 3.479,1216 3.599,1217 3.664,1218 3.509,1219 3.334,1220 4.762,1221 3.358,1222 3.478,1223 3.523,1224 3.387,1225 3.116,1226 4.712,1227 3.184,1228 3.272,1229 3.321,1230 3.164,1231 2.982,1232 4.588,1233 3.005,1234 3.082,1235 3.155,1236 2.898,1237 2.823,1238 4.188,1239 2.862,1240 2.956,1241 3.052,1242 2.722,1243 2.757,1244 4.029,1245 2.737,1246 0.152,1247 0.135,1248 0.212,1249 0.135,1250 0.1,1251 4.258,1252 0.141,1253 3.778,1254 0.093,1255 5.931,1256 0.294,1257 3.769,1258 0.097,1259 2.797,1260 3.953,1261 2.612,1262 8.246,1263 2.714,1264 1.915,1265 1.885,1266 2.049,1267 2.087,1268 1.209,1269 2.049,1270 1.913,1271 1.883,1272 2.008,1273 2.017,1274 1.085,1275 2.029,1276 1.622,1277 1.56,1278 1.859,1279 1.881,1280 1.062,1281 1.872,1282 1.509,1283 1.434,1284 1.758,1285 1.791,1286 0.98,1287 1.775,1288 1.273,1289 1.23,1290 1.528,1291 1.67,1292 0.692,1293 1.596,1294 1.167,1295 1.099,1296 1.364,1297 1.485,1298 0.5,1299 1.475,1300 1.002,1301 0.946,1302 1.354,1303 1.321,1304 0.312,1305 1.31,1306 0.977,1307 0.896,1308 1.181,1309 1.221,1310 0.218,1311 1.274,1312 4.043,1314 5.283,1316 6.693,1318 8.179,1320 9.704,1322 2.034,1328 3.021,1329 5.282,1330 5.526,1333 2.171,1340 31.213,1341 82.544,1342 174.129,1343 219.255,1344 245.784,1345 256.539,1346 256.539,1347 63.632,1348 6.569,1349 99.42,1350 99.42,1351 12,1352 11.827,1353 4,1354 3.322,1355 59.237,1356 146,1357 116,1358 0.19,1359 197.981,1360 348.78,1361 474.834,1362 6762,1364 19.485,1365 0.722,1366 0.565,1367 19.485,1368 15.259,1369 13.042,1370 0.466,1371 0.309,1372 8.469,1373 12.333,1374 8.279,1375 6.915,1376 13.042,1377 8.639,1378 11.202,1379 0.32,1380 0.172,1381 11.202,1382 6.021,1383 8.174,1384 0.21,1385 0.097,1386 8.174,1387 3.781,1388 6.226,1389 0.142,1390 0.054,1391 6.226,1392 2.375,1393 4.57,1394 0.093,1395 0.03,1396 4.57,1397 1.48,1398 0.321,1399 83.286,1400 0.233,1401 27.441,1402 0.464,1403 126,1404 450.898,1405 142.959,1406 424.833,1407 549.05,1408 392,1409 137,1410 379.342,1411 152.911,1412 378.599,1413 534.59,1414 351,1415 5.638}
{0 CHEMBL990,1 1.115,2 10.375,3 5.796,4 33.592,5 104.329,6 6.226,7 0.654,8 3.969,9 4.102,10 3.394,11 3.588,12 4.926,13 3.508,14 4.515,15 4.72,16 3.739,17 3.994,18 5.356,19 3.894,20 4.773,21 4.968,22 3.792,23 4.199,24 5.615,25 4.049,26 5.022,27 5.318,28 3.676,29 4.187,30 5.717,31 3.987,32 4.853,33 5.127,34 3.507,35 4.054,36 5.58,37 3.852,38 4.758,39 5.06,40 3.349,41 3.91,42 5.405,43 3.699,44 4.531,45 4.796,46 3.298,47 3.784,48 5.262,49 3.599,50 4.533,51 4.832,52 3.286,53 3.738,54 5.24,55 3.566,56 0.056,57 0.655,58 11.919,59 5.196,60 10.412,61 7.408,62 0.12,63 1.112,64 20.674,65 8.502,66 15.768,67 12.298,68 0.119,69 1.408,70 26.515,71 11.737,72 21.766,73 16.706,74 0.174,75 1.718,76 33.659,77 14.222,78 30.429,79 20.519,80 0.151,81 1.471,82 28.529,83 11.978,84 26.236,85 17.295,86 0.13,87 1.303,88 25.701,89 11.001,90 20.998,91 15.823,92 0.101,93 1.063,94 20.587,95 8.868,96 17.413,97 12.725,98 0.127,99 1.065,100 20.721,101 8.351,102 18.826,103 12.172,104 18,105 37,106 0.188,107 0.448,108 0.601,109 0.707,110 0.776,111 0.789,112 3.228,113 1.001,114 -6.57,115 -6.39,116 -5.93,121 45.1,122 3,125 1,126 1,127 2,144 11,145 5,176 21,180 2,187 28,192 4,200 23,206 5,214 14,219 4,227 9,232 2,239 9,244 3,251 14,264 16,277 16,281 788,282 15.764,283 15.764,284 15.764,285 15.764,286 15.764,287 13.792,288 16.838,289 9.243,290 15.863,291 12.856,292 12.856,293 12.856,294 12.856,295 12.856,296 9.953,297 21.606,298 4.39,299 13.011,300 4.557,301 3.012,302 2.102,303 1.474,304 1.06,305 0.981,306 3.907,312 1,313 531,314 3.674,318 209.884,322 110.709,325 1.625,326 7.237,329 0.75,330 0.83,331 0.83,332 0.6,333 0.5,334 0.83,335 1,336 0.76,337 48.5,338 249,339 4.497,340 3.539,341 7.111,342 4.313,343 3.314,344 4.431,345 0.995,346 11.657,347 3.313,348 4.439,349 3.177,350 6.513,351 4.039,352 3.043,353 3.835,354 0.359,355 10.233,356 3.033,357 3.86,358 2.88,359 5.517,360 3.574,361 2.601,362 3.181,364 7.467,365 2.537,366 3.552,367 2.425,368 5.243,369 3.206,370 2.229,371 2.925,373 6.48,374 2.178,375 3.129,376 2.019,377 4.759,378 2.841,379 1.872,380 2.427,382 5.211,383 1.808,384 3.118,385 1.629,386 4.519,387 2.618,388 1.618,389 2.22,391 4.485,392 1.618,393 2.844,394 1.618,395 4.119,396 2.524,397 1.535,398 1.936,400 3.74,401 1.514,402 2.762,403 1.275,404 3.59,405 2.268,406 1.269,407 1.879,409 2.822,410 1.268,411 2.5,412 1,413 3.414,414 2,415 1,416 1.5,418 2.275,419 1,420 2.322,421 0.986,422 3.325,423 1.882,424 0.886,425 1.248,427 2.072,428 0.882,429 1.339,430 0.348,431 2.967,432 1.064,433 0.085,434 0.101,436 0.225,437 0.083,438 1.115,439 0.08,440 2.688,441 0.801,442 -0.184,443 -0.224,445 -0.441,446 -0.181,447 0.882,448 -0.588,449 2.365,450 0.382,451 -0.618,452 -0.927,454 -1.478,455 -0.618,456 0.649,457 -0.612,458 2.174,459 0.258,460 -0.722,461 -0.955,463 -1.823,464 -0.705,465 0.5,466 -0.618,467 2,468 0.11,469 -0.848,470 -0.979,472 -2.071,473 -0.808,474 11.9,475 0.496,476 0.74,477 0.031,478 29.75,479 1.24,480 16,481 0.667,482 13.75,483 0.573,484 21.072,485 0.878,486 25.3,487 0.496,488 19.855,489 0.827,490 5.7,491 0.238,492 5.731,493 0.239,494 0.168,495 0.042,496 0.244,501 1.018,502 1.18,503 0.989,504 1.067,505 1.229,506 1.034,507 1.734,508 0.819,509 0.932,510 0.797,511 0.803,512 0.828,513 0.972,514 1.354,515 1.254,516 1.327,517 1.122,518 1.306,519 1.024,520 0.966,521 0.911,522 0.922,523 0.904,524 0.914,525 1.284,526 1.142,527 1.121,528 1.113,529 1.234,530 1.111,531 0.982,532 0.903,533 0.916,534 0.903,535 0.869,536 0.906,537 0.982,538 1.118,539 1.046,540 1.084,541 0.948,542 1.071,543 1.763,544 0.636,545 0.868,546 0.672,547 0.788,548 0.725,549 6,550 0.157,551 2.889,552 1.688,553 1.098,554 0.736,555 0.406,556 0.321,557 0.123,558 0.149,559 6630,560 11808,561 2.03,562 52.9,563 9,564 18,572 1.664,573 1.882,574 3.323,575 -0.946,582 56.87,583 1.115,584 2.66,585 3.57,586 4.199,587 4.613,588 4.691,589 2.772,590 3.772,591 4.56,592 3.534,593 975.361,594 7.841,595 11746.1,600 289.294,601 1.601,602 4.498,603 0.231,604 0.011,605 0.078,606 0.047,607 0.035,608 0.029,609 0.018,610 0.015,611 0.006,612 0.009,613 0.48,614 0.5,615 0.88,616 0.813,617 115.437,618 0.128,619 -0.069,620 0.055,621 -0.005,622 -0.147,623 0.017,624 -0.137,625 0.277,626 0.106,627 0.205,628 0.144,629 0.172,630 -0.08,631 -0.32,632 -0.252,633 -0.3,634 -0.158,635 -0.285,636 0.082,637 0.003,638 0.067,639 0.038,640 0.073,641 0.049,642 -0.079,643 -0.149,644 -0.135,645 -0.147,646 -0.211,647 -0.144,648 0.021,649 0.054,650 0.054,651 0.058,652 0.037,653 0.057,654 0.02,655 -0.133,656 -0.064,657 -0.102,658 -0.002,659 -0.089,660 -0.191,661 0.376,662 0.13,663 0.27,664 0.21,665 0.223,666 1.034,667 0.383,668 0.667,669 19.569,670 0.972,671 1.116,672 5.34,673 28.514,674 0.665,675 3.296,676 3.638,677 3.829,678 4.043,679 4.234,680 4.234,681 4.277,682 4.304,683 4.248,684 4.263,685 6.331,686 0.605,687 317.51,688 3.296,689 4.844,690 5.673,691 6.553,692 7.398,693 8.277,694 9.128,695 10.005,696 10.858,697 11.735,698 2,701 1,714 2,715 11,720 3,722 17,741 51,743 17,744 3,745 26,747 53,748 23,749 16,750 5,751 11,756 3,757 4,763 3,764 1,772 16,773 7,793 27,794 1,796 1,802 1,808 0.667,829 3,833 1,855 1,859 2,864 4,868 24,876 2,881 1,882 1,901 12.75,902 10.367,903 5.139,904 3.032,907 3.292,908 1.472,909 0.964,910 4.73,911 10.271,912 3.57,913 4.19,914 4.76,915 5.335,916 5.887,917 6.047,918 6.341,919 6.595,920 6.88,921 6.754,922 0.857,923 36,924 8.87,926 3.619,927 0.026,929 7.358,931 17.714,933 14.592,936 1.858,937 44.583,938 0.001,941 317.82,942 158.025,943 3.124,948 158.025,949 317.82,950 3.124,951 34.872,952 4.211,953 104.239,955 17.827,957 317.82,959 317.82,960 161.149,964 317.82,968 33.811,969 127.338,972 317.82,973 3.124,974 158.025,977 317.82,978 18.914,979 142.235,982 317.82,983 3.124,984 158.025,986 0.591,987 0.326,988 0.169,989 0.09,990 18,991 8,992 0.094,993 5,994 1,995 1.125,996 3.617,997 188.487,998 0.125,999 16,1000 99.284,1005 16.731,1006 6.785,1007 4.059,1008 2.674,1009 3.124,1010 24.266,1015 4.149,1018 478.969,1019 34.5,1031 49.589,1032 56.896,1034 0.197,1035 0.469,1036 0.629,1037 0.74,1038 0.813,1039 0.827,1040 4.806,1041 1.269,1042 5.7,1043 3.74,1044 4.317,1045 4.875,1046 1.114,1047 6.532,1048 4.297,1049 6.036,1050 1,1051 7.283,1052 2.822,1053 4.111,1054 4.718,1055 0.325,1056 7.711,1057 4.084,1058 7.358,1059 0.886,1060 8.981,1061 2.275,1062 5.989,1063 7.109,1064 0.897,1065 10.692,1066 5.956,1067 8.716,1068 0.085,1069 10.749,1070 2.072,1071 6.567,1072 7.748,1073 0.504,1074 12.673,1075 6.536,1076 10.105,1077 -0.184,1078 12.565,1079 0.225,1080 7.991,1081 9.652,1082 0.792,1083 15.261,1084 7.957,1085 11.518,1086 -0.618,1087 14.413,1088 -0.441,1089 8.908,1090 10.694,1091 0.585,1092 17.529,1093 8.879,1094 12.95,1095 -0.722,1096 16.283,1097 -1.478,1098 10.167,1099 12.37,1100 0.735,1101 20.004,1102 10.136,1103 3.314,1104 -0.848,1105 18.171,1106 -1.823,1107 11.23,1108 13.624,1109 0.622,1110 22.376,1111 11.204,1112 3.043,1113 11.657,1114 20.072,1115 -2.071,1116 12.429,1117 15.191,1118 0.703,1119 24.82,1120 12.403,1121 2.601,1122 10.233,1123 21.983,1124 4.431,1125 13.556,1126 16.555,1127 0.639,1128 27.231,1129 13.533,1130 2.229,1131 7.467,1132 23.902,1133 3.835,1134 14.737,1135 18.072,1136 0.683,1137 29.669,1138 14.714,1139 1.872,1140 6.48,1141 25.827,1142 3.181,1143 15.892,1144 19.493,1145 0.646,1146 32.097,1147 15.872,1148 1.618,1149 5.211,1150 27.756,1151 2.925,1152 17.068,1153 20.987,1154 0.67,1155 34.536,1156 17.049,1157 1.535,1158 4.485,1159 29.69,1160 2.427,1161 18.237,1162 22.437,1163 0.648,1164 36.972,1165 18.219,1166 6459,1167 8718,1168 16.989,1169 33.904,1170 39.531,1171 39.051,1172 39.54,1173 38.914,1174 38.901,1175 51.365,1176 2.707,1177 113.334,1178 38.467,1179 5.367,1180 5.539,1181 6.8,1182 5.317,1183 5.314,1184 7.431,1185 1.754,1186 18.538,1187 5.313,1188 12.497,1189 1.52,1190 1.502,1191 1.521,1192 1.497,1193 1.496,1194 1.976,1195 0.104,1196 4.359,1197 1.48,1198 4.098,1199 4.122,1200 4.048,1201 4.058,1202 4.9,1203 4.053,1204 3.97,1205 4,1206 3.901,1207 3.917,1208 4.741,1209 3.909,1210 3.655,1211 3.723,1212 3.527,1213 3.523,1214 4.354,1215 3.513,1216 3.517,1217 3.576,1218 3.393,1219 3.42,1220 4.258,1221 3.407,1222 3.396,1223 3.461,1224 3.256,1225 3.238,1226 4.134,1227 3.234,1228 3.073,1229 3.134,1230 2.938,1231 2.966,1232 3.812,1233 2.952,1234 2.894,1235 3.009,1236 2.687,1237 2.735,1238 3.674,1239 2.715,1240 2.874,1241 3.009,1242 2.668,1243 2.729,1244 3.49,1245 2.702,1246 0.173,1247 0.136,1248 0.273,1249 0.166,1250 0.127,1251 4.497,1252 0.17,1253 3.539,1254 0.038,1255 7.111,1256 0.448,1257 4.313,1258 0.127,1259 3.314,1260 4.431,1261 0.995,1262 11.657,1263 3.313,1264 2.082,1265 2.063,1266 2.168,1267 2.139,1268 1.34,1269 2.15,1270 1.968,1271 1.94,1272 2.099,1273 2.049,1274 1.295,1275 2.067,1276 1.657,1277 1.597,1278 1.889,1279 1.836,1280 1.085,1281 1.857,1282 1.528,1283 1.479,1284 1.742,1285 1.683,1286 0.87,1287 1.709,1288 1.394,1289 1.323,1290 1.637,1291 1.564,1292 0.689,1293 1.593,1294 1.097,1295 1.039,1296 1.417,1297 1.262,1298 0.521,1299 1.308,1300 0.937,1301 0.846,1302 1.417,1303 1.239,1304 0.474,1305 1.308,1306 0.934,1307 0.821,1308 1.384,1309 1.239,1310 0.469,1311 1.307,1312 3.97,1314 5.303,1316 6.828,1318 8.436,1320 10.086,1322 8.97,1328 1.927,1333 2.383,1334 0.216,1340 30.87,1341 56.87,1342 135.676,1343 182.081,1344 214.135,1345 235.255,1346 239.255,1347 31.802,1348 6.979,1349 3.24,1350 3.24,1351 18,1352 12.278,1353 4.17,1354 3.248,1355 39.518,1356 92,1357 74,1358 0.21,1359 192.589,1360 326.56,1361 461.678,1362 10006,1364 17.156,1365 0.715,1366 0.634,1367 17.156,1368 15.212,1369 11.432,1370 0.44,1371 0.334,1372 8.643,1373 11.325,1374 8.161,1375 6.94,1376 11.432,1377 8.68,1378 11.06,1379 0.299,1380 0.21,1381 11.06,1382 7.757,1383 8.236,1384 0.183,1385 0.102,1386 8.236,1387 4.593,1388 6.811,1389 0.122,1390 0.057,1391 6.811,1392 3.199,1393 5.351,1394 0.079,1395 0.031,1396 5.351,1397 2.116,1398 0.334,1399 69.287,1400 0.243,1401 23.661,1402 0.561,1403 126,1404 235.645,1405 127.748,1406 246.675,1407 348.75,1408 232,1409 145,1410 261.761,1411 147.498,1412 280.997,1413 402.15,1414 260,1415 5.161}
{0 CHEMBL99284,1 1.498,2 10.167,3 3.574,4 12.77,5 93.939,6 7.187,7 0.444,8 3.916,9 4.038,10 3.464,11 3.448,12 4.965,13 3.429,14 4.477,15 4.649,16 3.878,17 3.886,18 5.527,19 3.845,20 4.752,21 4.947,22 3.9,23 4.048,24 5.692,25 3.967,26 4.882,27 5.142,28 3.74,29 3.991,30 5.791,31 3.869,32 4.742,33 5.004,34 3.611,35 3.774,36 5.727,37 3.668,38 4.466,39 4.69,40 3.423,41 3.56,42 5.483,43 3.483,44 4.27,45 4.485,46 3.367,47 3.47,48 5.337,49 3.389,50 4.243,51 4.459,52 3.228,53 3.399,54 5.346,55 3.322,56 0.024,57 0.668,58 9.73,59 4.069,60 7.295,61 5.47,62 0.337,63 1.112,64 18.592,65 6.932,66 31.016,67 9.662,68 0.173,69 1.391,70 25.026,71 9.33,72 26.433,73 12.997,74 0.281,75 1.462,76 30.694,77 10.222,78 41.514,79 14.916,80 0.335,81 1.16,82 27.588,83 9.223,84 48.862,85 12.928,86 0.364,87 0.872,88 20.813,89 6.863,90 40.289,91 9.052,92 0.205,93 0.786,94 16.175,95 5.903,96 28.289,97 8.07,98 0.37,99 0.758,100 16.371,101 4.983,102 41.873,103 6.705,104 10,105 40,106 0.259,107 0.604,108 0.769,109 0.846,110 0.867,111 0.867,112 3.229,113 0.913,114 -4.08,115 -4.03,116 -3.81,121 42.2,122 1,123 1,125 1,126 1,127 1,130 1,144 8,145 1,146 3,161 1,176 9,179 1,180 4,183 3,185 5,187 10,192 4,197 6,200 7,206 9,211 3,214 3,219 9,222 1,224 2,227 2,231 1,232 3,237 1,239 4,244 2,247 1,248 1,249 2,251 8,255 1,259 1,264 8,274 2,277 8,281 756,282 16.134,283 16.134,284 16.134,285 16.134,286 16.134,287 14.543,288 24.347,289 9.344,290 16.457,291 13.332,292 13.332,293 13.332,294 13.332,295 13.332,296 10.934,297 36.499,298 4.462,299 13.855,300 3.993,301 2.001,302 1.045,303 0.6,304 0.478,305 0.478,306 3.924,310 1,311 1,312 1,313 542,314 3.317,317 90.972,318 128.169,320 73.279,321 77.621,324 109,325 1.5,326 18.232,327 1,328 1,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 51.5,338 244,339 4.778,340 3.908,341 7.93,342 4.664,343 3.682,344 4.16,345 2.186,346 14.919,347 3.621,348 4.021,349 3.675,350 6.126,351 3.666,352 2.719,353 3.482,354 0.886,355 8.539,356 2.571,357 3.906,358 2.824,359 5.616,360 3.532,361 2.562,362 3.296,363 0.4,364 7.542,365 2.482,366 3.587,367 2.591,368 5.529,369 3.227,370 2.288,371 2.833,372 0.366,373 7.068,374 2.136,375 3.281,376 2.507,377 5.279,378 3.126,379 2.178,380 2.493,382 6.724,383 2.05,384 3.267,385 2.328,386 4.644,387 2.852,388 1.871,389 2.328,391 4.994,392 1.818,393 2.848,394 1.543,395 4.502,396 2.382,397 1.394,398 1.981,400 3.772,401 1.372,402 2.571,403 1.519,404 4.144,405 2.244,406 1.284,407 1.593,409 2.99,410 1.23,411 2.5,412 1.168,413 3.571,414 2.104,415 1.118,416 1.5,418 2.987,419 1.1,420 2.268,421 1,422 3.288,423 2,424 1,425 1.256,427 2.136,428 1,429 1.599,430 0.867,431 3.247,432 1.421,433 0.468,434 0.51,436 1.151,437 0.444,438 1.193,439 0.571,440 2.958,441 0.942,442 0.024,443 0.026,445 0.063,446 0.022,447 1.132,448 0.323,449 2.805,450 0.745,451 -0.247,452 -0.306,454 -0.591,455 -0.24,456 0.67,457 -0.155,458 2.427,459 0.364,460 -0.609,461 -0.723,463 -1.635,464 -0.584,465 0.606,466 -0.57,467 2.417,468 0.168,469 -0.822,470 -1,472 -2.262,473 -0.814,474 11.367,475 0.474,476 0.699,477 0.029,478 31,479 1.292,480 15,481 0.625,482 16,483 0.667,484 19.217,485 0.801,486 25.833,487 0.574,488 21.416,489 0.892,490 5.975,491 0.249,492 5.585,493 0.233,494 0.117,495 0.044,496 0.299,501 0.836,502 1.328,503 0.808,504 1.085,505 0.63,506 0.957,507 0.632,508 0.981,509 0.821,510 0.895,511 0.407,512 0.876,513 1.018,514 1.311,515 1.091,516 1.213,517 0.734,518 1.169,519 0.989,520 1.012,521 1.047,522 1.044,523 0.722,524 1.036,525 1.258,526 0.898,527 0.903,528 0.932,529 1.38,530 0.883,531 1.889,532 0.808,533 1.089,534 0.833,535 1.713,536 0.867,537 1.09,538 1.062,539 0.942,540 1.066,541 1.348,542 1.011,543 1.953,544 0.706,545 1.31,546 0.749,547 2.757,548 0.914,549 6,550 0.101,551 3.333,552 2.583,553 1.232,554 0.646,555 0.516,556 0.207,557 0.268,558 0.151,559 6754,560 15376,561 2.125,562 46.7,563 3,564 13,565 1,567 2,569 2,572 1.666,573 1.986,574 3.292,575 0.255,577 1,579 1,582 67.429,583 1.498,584 3.491,585 4.447,586 4.891,587 5.014,588 5.014,589 2.709,590 4.168,591 4.558,592 3.445,593 950.86,594 7.848,595 11066.2,597 1,599 1,600 247.133,601 1.564,602 4.509,603 0.222,604 0.007,605 0.083,606 0.066,607 0.04,608 0.024,609 0.022,610 0.009,611 0.014,612 0.008,613 0.496,614 0.67,615 1,616 0.566,617 113.944,618 -0.042,619 -0.135,620 0.063,621 -0.033,622 -0.057,623 0.021,624 0.297,625 0.159,626 0.105,627 0.104,628 0.237,629 0.083,630 -0.105,631 -0.254,632 -0.156,633 -0.214,634 -0.031,635 -0.198,636 -0.073,637 -0.03,638 -0.06,639 -0.098,640 0.063,641 -0.071,642 0.014,643 -0.014,644 0.134,645 0.026,646 0.02,647 0.088,648 -0.181,649 0.086,650 -0.028,651 0.13,652 -0.188,653 0.076,654 0.089,655 -0.098,656 0.046,657 -0.076,658 0.033,659 -0.038,660 -0.284,661 0.307,662 -0.263,663 0.172,664 -0.438,665 -0.014,666 2.141,667 5.084,668 0.75,669 18.958,670 0.998,671 1.126,672 2.851,673 8.129,674 0.662,675 3.332,676 3.714,677 4.025,678 4.344,679 4.543,680 4.605,681 4.779,682 4.86,683 4.86,684 4.927,685 5.942,686 0.627,687 323.43,688 3.332,689 4.905,690 5.784,691 6.701,692 7.603,693 8.53,694 9.446,695 10.38,696 11.306,697 12.244,698 6.7,701 1,703 1,705 1,715 8,720 4,722 12,734 1,737 1,741 45,743 13,744 2,745 27,747 48,748 19,749 12,750 4,751 8,756 4,757 7,763 1,764 1,766 1,767 1,770 1,772 13,773 6,777 1,782 1,786 1,789 1,790 1,793 21,794 5,795 2,796 5,802 3,808 0.5,809 2,825 1,828 2,829 2,831 1,832 1,835 1,855 1,859 2,864 2,868 24,876 2,877 2,878 1,880 1,881 1,882 1,893 4.4,896 1,898 1,901 12.083,902 8.533,903 5.097,904 2.651,907 2.126,908 1.285,909 0.982,910 3.74,911 9.589,912 3.555,913 4.127,914 4.635,915 5.182,916 5.663,917 5.78,918 6.133,919 6.406,920 6.496,921 6.723,922 0.857,923 39,924 8.888,926 3.856,927 0.026,929 7.642,931 17.222,933 14.711,936 2.142,937 51.417,940 1,941 223.651,942 118.377,943 39.146,945 36.145,948 118.377,949 259.796,950 39.146,951 17.222,952 22.651,953 75.81,954 43.156,955 28.067,956 18.534,957 211.88,959 223.651,960 157.523,961 36.145,964 200.109,965 59.687,968 34.601,969 104.911,970 18.011,972 223.651,973 75.291,974 118.377,977 223.651,978 25.345,979 96.156,980 36.022,981 36.145,982 223.651,983 75.291,984 118.377,986 0.595,987 0.351,988 0.195,989 0.103,990 22,991 9,992 0.063,993 3,994 2,995 1.222,996 3.644,997 203.193,998 0.222,999 18,1000 106.039,1005 15.486,1006 5.796,1007 2.693,1009 75.291,1010 15.12,1015 3.641,1017 36.022,1018 417.318,1019 34,1024 12.084,1028 -0.475,1031 44.912,1032 50.651,1034 0.273,1035 0.636,1036 0.81,1037 0.891,1038 0.913,1039 0.913,1040 4.836,1041 1.284,1042 5.82,1043 3.772,1044 4.394,1045 4.812,1046 2.41,1047 6.737,1048 4.322,1049 6.049,1050 1.118,1051 7.449,1052 2.99,1053 4.205,1054 4.635,1055 1.847,1056 8.097,1057 4.111,1058 7.378,1059 1,1060 9.202,1061 2.987,1062 6.125,1063 6.918,1064 3.516,1065 11.246,1066 5.995,1067 8.743,1068 0.468,1069 11.037,1070 2.136,1071 6.792,1072 7.504,1073 3.601,1074 13.535,1075 6.66,1076 10.146,1077 0.024,1078 12.931,1079 1.151,1080 8.256,1081 9.325,1082 4.909,1083 16.34,1084 8.099,1085 11.577,1086 -0.247,1087 14.87,1088 0.063,1089 9.302,1090 10.28,1091 5.291,1092 18.927,1093 9.146,1094 13.031,1095 -0.609,1096 16.842,1097 -0.591,1098 10.63,1099 11.901,1100 6.388,1101 21.656,1102 10.459,1103 3.682,1104 -0.822,1105 18.84,1106 -1.635,1107 11.833,1108 13.056,1109 6.93,1110 24.326,1111 11.656,1112 2.719,1113 14.919,1114 20.857,1115 -2.262,1116 13.13,1117 14.577,1118 7.902,1119 27.036,1120 12.94,1121 2.562,1122 8.539,1123 22.888,1124 4.16,1125 14.393,1126 15.846,1127 8.539,1128 29.73,1129 14.193,1130 2.288,1131 7.542,1132 24.93,1133 3.482,1134 15.687,1135 17.316,1136 9.436,1137 32.434,1138 15.474,1139 2.178,1140 7.068,1141 26.979,1142 3.296,1143 16.973,1144 18.65,1145 10.13,1146 35.134,1147 16.748,1148 1.871,1149 6.724,1150 29.034,1151 2.833,1152 18.27,1153 20.095,1154 10.981,1155 37.838,1156 18.031,1157 1.394,1158 4.994,1159 31.093,1160 2.493,1161 19.566,1162 21.467,1163 11.71,1164 40.539,1165 19.312,1166 6343,1167 9699,1168 18.087,1169 29.779,1170 41.55,1171 42.329,1172 42.565,1173 41.169,1174 41.176,1175 50.916,1176 7.677,1177 125.768,1178 39.692,1179 5.74,1180 5.908,1181 7.732,1182 5.753,1183 5.682,1184 7.16,1185 3.889,1186 23.348,1187 5.621,1188 10.387,1189 1.539,1190 1.568,1191 1.576,1192 1.525,1193 1.525,1194 1.886,1195 0.284,1196 4.658,1197 1.47,1198 4.082,1199 4.12,1200 4.027,1201 3.987,1202 7.435,1203 3.992,1204 3.899,1205 3.934,1206 3.831,1207 3.821,1208 4.855,1209 3.818,1210 3.698,1211 3.741,1212 3.613,1213 3.562,1214 4.759,1215 3.566,1216 3.382,1217 3.408,1218 3.329,1219 3.085,1220 4.453,1221 3.14,1222 3.237,1223 3.33,1224 3.037,1225 3.025,1226 4.141,1227 3.019,1228 3.065,1229 3.154,1230 2.929,1231 2.855,1232 3.889,1233 2.86,1234 2.952,1235 3.065,1236 2.702,1237 2.743,1238 3.863,1239 2.719,1240 2.854,1241 2.925,1242 2.687,1243 2.735,1244 3.674,1245 2.715,1246 0.177,1247 0.145,1248 0.294,1249 0.173,1250 0.136,1251 4.778,1252 0.154,1253 3.908,1254 0.081,1255 7.93,1256 0.553,1257 4.664,1258 0.134,1259 3.682,1260 4.16,1261 2.186,1262 14.919,1263 3.621,1264 1.905,1265 1.885,1266 2.014,1267 2.008,1268 1.31,1269 2.008,1270 1.88,1271 1.85,1272 1.998,1273 1.966,1274 1.061,1275 1.978,1276 1.608,1277 1.556,1278 1.809,1279 1.81,1280 1.022,1281 1.808,1282 1.527,1283 1.443,1284 1.781,1285 1.75,1286 0.994,1287 1.772,1288 1.201,1289 1.178,1290 1.453,1291 1.532,1292 0.563,1293 1.47,1294 1.015,1295 0.902,1296 1.335,1297 1.291,1298 0.417,1299 1.353,1300 0.961,1301 0.88,1302 1.272,1303 1.247,1304 0.279,1305 1.264,1306 0.886,1307 0.821,1308 1.181,1309 1.062,1310 0.218,1311 1.107,1312 4.007,1314 5.371,1315 3.045,1316 6.929,1317 5.587,1318 8.581,1319 7.825,1320 10.29,1322 4.41,1328 2.154,1329 6.313,1330 5.472,1332 0.306,1333 2.336,1334 0.055,1340 28.235,1341 67.429,1342 157.08,1343 200.114,1344 220.114,1345 225.624,1346 225.624,1347 33.283,1348 7.463,1349 53.6,1350 53.6,1351 22,1352 12.743,1353 3.807,1354 3,1355 34.04,1356 86,1357 86,1358 0.196,1359 171.335,1360 298.12,1361 409.817,1362 17329,1364 16.734,1365 0.697,1366 0.578,1367 16.734,1368 13.874,1369 11.559,1370 0.428,1371 0.304,1372 8.103,1373 11.142,1374 7.856,1375 6.519,1376 11.559,1377 8.214,1378 10.99,1379 0.275,1380 0.17,1381 10.99,1382 6.783,1383 9.374,1384 0.17,1385 0.094,1386 9.374,1387 5.157,1388 8.145,1389 0.107,1390 0.05,1391 8.145,1392 3.817,1393 6.494,1394 0.07,1395 0.028,1396 6.494,1397 2.586,1398 0.307,1399 72.227,1400 0.235,1401 23.41,1402 0.537,1403 134,1404 347.782,1405 146.998,1406 336.935,1407 468.94,1408 316,1409 162,1410 356.247,1411 174.643,1412 361.247,1413 532.47,1414 339,1415 5.248}
{0 CHEMBL99414,1 1.543,2 7.684,3 1.997,4 3.988,5 74.162,6 6.878,7 0.286,8 3.745,9 3.878,10 3.25,11 3.206,12 4.766,13 3.192,14 4.333,15 4.532,16 3.676,17 3.658,18 5.35,19 3.622,20 4.574,21 4.768,22 3.716,23 3.85,24 5.512,25 3.772,26 4.745,27 5.004,28 3.505,29 3.828,30 5.627,31 3.694,32 4.572,33 4.851,34 3.335,35 3.617,36 5.431,37 3.468,38 4.321,39 4.573,40 3.082,41 3.352,42 5.214,43 3.222,44 4.12,45 4.391,46 2.968,47 3.097,48 5.09,49 2.977,50 3.917,51 4.16,52 2.672,53 2.795,54 5.054,55 2.727,56 0.021,57 0.571,58 8.888,59 3.279,60 6.589,61 4.768,62 0.37,63 0.927,64 17.287,65 5.583,66 30.731,67 8.349,68 0.15,69 1.132,70 21.662,71 7.663,72 23.981,73 11.197,74 0.363,75 1.165,76 27.171,77 8.229,78 43.564,79 12.616,80 0.243,81 0.928,82 22.807,83 7.509,84 32.075,85 11.378,86 0.293,87 0.698,88 17.995,89 5.623,90 29.145,91 8.226,92 0.188,93 0.573,94 14.609,95 4.436,96 24.154,97 6.786,98 0.374,99 0.443,100 12.604,101 2.596,102 38.371,103 4.062,104 20,105 32,106 0.283,107 0.63,108 0.812,109 0.873,110 0.873,111 0.873,112 3.012,113 0.936,114 -2.84,115 -2.85,116 -2.76,121 36.8,122 1,123 1,125 1,126 2,127 1,130 1,144 3,145 1,146 2,161 1,176 5,179 1,180 4,183 3,185 3,187 6,192 4,197 4,200 5,206 5,211 2,214 3,219 5,222 1,224 2,227 2,231 1,232 1,237 1,244 2,247 1,248 1,249 2,255 1,259 1,281 383,282 12.574,283 12.574,284 12.574,285 12.574,286 12.574,287 11.733,288 21.185,289 7.041,290 12.921,291 10.26,292 10.26,293 10.26,294 10.26,295 10.26,296 8.856,297 28.999,298 3.248,299 10.764,300 3.704,301 1.811,302 0.816,303 0.481,304 0.481,305 0.481,306 3.682,310 1,311 1,312 1,313 313,314 3.24,317 63.295,318 37.136,320 51.039,321 55.422,324 77.43,325 1.208,326 15.577,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 41.5,338 146,339 4.778,340 3.908,341 7.93,342 4.664,343 3.682,344 4.16,345 2.186,346 14.919,347 3.621,348 3.981,349 3.657,350 6.125,351 3.632,352 2.683,353 3.309,354 0.886,355 8.533,356 2.548,357 3.65,358 2.819,359 5.607,360 3.317,361 2.378,362 2.861,363 0.4,364 7.173,365 2.212,366 3.3,367 2.557,368 5.399,369 3.135,370 2.192,371 2.501,372 0.366,373 6.945,374 2.054,375 3.268,376 2.333,377 4.743,378 2.902,379 1.935,380 2.328,382 5.194,383 1.855,384 2.571,385 1.543,386 4.507,387 2.248,388 1.292,389 1.593,391 3.771,392 1.233,393 2.269,394 1.168,395 4.144,396 2.105,397 1.118,398 1.257,400 2.987,401 1.101,402 1.617,403 1.106,404 3.289,405 1.448,406 0.514,407 0.551,409 1.176,410 0.477,411 1.482,412 0.814,413 2.953,414 1.27,415 0.334,416 0.357,418 0.527,419 0.31,420 1.138,421 0.502,422 2.79,423 0.824,424 -0.143,425 -0.169,427 -0.323,428 -0.136,429 0.665,430 -0.114,431 2.42,432 0.364,433 -0.609,434 -0.707,436 -1.634,437 -0.582,438 0.601,439 -0.559,440 2.402,441 0.168,442 -0.823,443 -1,445 -2.604,446 -0.814,447 0.144,448 -0.687,449 2.265,450 -0.047,451 -1,452 -1.081,454 -2.723,455 -0.945,457 -0.793,458 1.963,459 -0.126,460 -1.098,461 -1.352,463 -2.965,464 -1.058,465 -0.205,466 -0.979,467 1.667,468 -0.443,469 -1.405,470 -1.708,472 -3.405,473 -1.369,474 8.867,475 0.467,476 0.63,477 0.033,478 21.5,479 1.132,480 8.5,481 0.447,482 13,483 0.684,484 16.091,485 0.847,486 21.733,487 0.572,488 14.368,489 0.756,490 4.138,491 0.218,492 4.903,493 0.258,494 0.207,495 0.056,496 0.327,501 0.85,502 1.549,503 0.852,504 1.247,505 0.627,506 1.067,507 0.672,508 0.84,509 0.787,510 0.772,511 0.398,512 0.776,513 0.949,514 1.364,515 1.054,516 1.282,517 0.675,518 1.202,519 1.123,520 0.961,521 1.151,522 1.012,523 0.955,524 1.068,525 0.685,526 0.996,527 0.853,528 1.056,529 0.761,530 0.997,531 1.275,532 0.968,533 1.086,534 1.03,535 1.064,536 1.047,537 0.806,538 1.134,539 0.831,540 1.129,541 1.014,542 1.017,543 2.366,544 0.686,545 1.486,546 0.682,547 3.306,548 0.91,549 5.5,551 3.333,552 2.271,553 1.081,554 0.528,555 0.456,556 0.234,557 0.143,558 0.045,559 2926,560 7195,561 2.038,562 50,563 3,564 11,565 1,567 2,569 2,572 1.605,573 1.854,574 2.911,575 0.393,577 1,579 1,582 58.653,583 1.543,584 3.437,585 4.432,586 4.767,587 4.767,588 4.767,589 2.439,590 4.037,591 4.216,592 3.02,593 516.498,594 7.194,595 4863.19,596 1,597 1,599 1,600 199.421,601 1.747,602 4.142,603 0.262,605 0.104,606 0.071,607 0.045,608 0.026,609 0.03,610 0.018,611 0.016,612 0.011,613 0.584,614 0.83,615 1,616 1.368,617 80.622,618 -0.052,619 -0.239,620 0.064,621 -0.088,622 -0.054,623 -0.004,624 0.264,625 0.346,626 0.175,627 0.263,628 0.24,629 0.22,630 -0.094,631 -0.249,632 -0.122,633 -0.196,634 0.009,635 -0.171,636 -0.18,637 0.022,638 -0.183,639 -0.048,640 -0.085,641 -0.102,642 0.095,643 -0.096,644 0.096,645 -0.069,646 0.043,647 0.003,648 -0.079,649 -0.076,650 -0.09,651 -0.054,652 -0.144,653 -0.078,654 0.189,655 -0.249,656 0.152,657 -0.181,658 0.128,659 -0.05,660 -0.378,661 0.239,662 -0.36,663 0.11,664 -0.481,665 -0.099,666 2.101,667 4.284,668 0.632,669 12.499,670 1.001,671 1.138,672 1.613,673 2.601,674 0.632,675 3.091,676 3.497,677 3.829,678 4.143,679 4.357,680 4.454,681 4.635,682 4.691,683 4.595,684 4.543,685 4.523,686 0.598,687 261.36,688 3.091,689 4.673,690 5.565,691 6.497,692 7.418,693 8.36,694 9.293,695 10.24,696 11.182,697 12.131,698 7.9,701 1,703 1,705 1,715 3,720 3,722 6,734 1,737 1,741 38,743 7,744 1,745 21,747 40,748 14,749 6,750 3,751 3,756 3,757 6,763 1,764 1,766 1,767 1,770 1,772 7,773 7,777 1,782 1,786 1,789 1,790 1,793 19,794 5,795 2,796 5,802 3,808 0.333,809 2,825 1,828 2,829 1,831 1,832 1,835 1,855 1,859 1,864 3,868 19,876 2,877 2,878 1,880 1,881 1,882 1,893 5.3,896 1,898 1,901 10.25,902 7.617,903 4.097,904 2.228,907 1.324,908 1.195,909 0.944,910 2.947,911 8.125,912 3.258,913 3.818,914 4.321,915 4.847,916 5.342,917 5.579,918 5.944,919 6.179,920 6.164,921 6.157,922 1,923 32,924 7.03,926 3.013,927 0.026,929 7.697,931 13.619,933 11.573,936 2.197,937 41.75,938 0.001,941 200.109,942 76.635,943 39.146,945 36.145,948 76.635,949 236.254,950 39.146,951 25.618,952 22.651,953 28.429,954 43.156,955 25.31,956 18.534,957 188.338,959 200.109,960 115.781,961 36.145,964 176.567,965 59.687,968 34.601,969 63.17,970 18.011,972 200.109,973 75.291,974 76.635,977 200.109,978 22.588,979 57.171,980 36.022,981 36.145,982 200.109,983 75.291,984 76.635,986 0.601,987 0.364,988 0.189,989 0.103,990 18,991 8,992 0.05,993 2,994 2,995 1.333,996 3.028,997 148.221,998 0.333,999 12,1000 80.711,1005 12.758,1006 4.389,1007 1.901,1009 75.291,1010 5.799,1015 2.975,1017 36.022,1018 352.035,1019 25,1024 11.284,1028 -0.434,1031 38.029,1032 43.235,1034 0.294,1035 0.655,1036 0.844,1037 0.908,1038 0.908,1039 0.908,1040 4.57,1041 0.514,1042 5.631,1043 2.987,1044 4.174,1045 4.5,1046 2.41,1047 6.592,1048 4.09,1049 5.794,1050 0.334,1051 7.296,1052 1.176,1053 4.111,1054 4.494,1055 1.847,1056 8.046,1057 4.019,1058 7.146,1059 -0.143,1060 9.082,1061 0.527,1062 5.964,1063 6.612,1064 3.516,1065 11.192,1066 5.826,1067 8.536,1068 -0.609,1069 10.945,1070 -0.323,1071 6.723,1072 7.361,1073 3.601,1074 13.516,1075 6.593,1076 9.962,1077 -0.823,1078 12.862,1079 -1.634,1080 8.156,1081 9.06,1082 4.909,1083 16.325,1084 7.999,1085 11.415,1086 -1,1087 14.818,1088 -2.604,1089 9.254,1090 10.144,1091 5.291,1092 18.922,1093 9.102,1094 12.889,1095 -1.098,1096 16.804,1097 -2.723,1098 10.576,1099 11.69,1100 6.388,1101 21.652,1102 10.407,1103 3.682,1104 -1.405,1105 18.813,1106 -2.965,1107 11.803,1108 12.938,1109 6.93,1110 24.325,1111 11.63,1112 2.683,1113 14.919,1114 20.837,1115 -3.405,1116 13.101,1117 14.418,1118 7.902,1119 27.035,1120 12.915,1121 2.378,1122 8.533,1123 22.874,1124 4.16,1125 14.375,1126 15.75,1127 8.539,1128 29.729,1129 14.179,1130 2.192,1131 7.173,1132 24.92,1133 3.309,1134 15.672,1135 17.201,1136 9.436,1137 32.434,1138 15.462,1139 1.935,1140 6.945,1141 26.972,1142 2.861,1143 16.964,1144 18.575,1145 10.13,1146 35.134,1147 16.741,1148 1.292,1149 5.194,1150 29.029,1151 2.501,1152 18.262,1153 20.013,1154 10.981,1155 37.837,1156 18.025,1157 1.118,1158 3.771,1159 31.09,1160 2.328,1161 19.561,1162 21.41,1163 11.71,1164 40.539,1165 19.308,1166 2958,1167 4716,1168 13.523,1169 24.017,1170 32.404,1171 33.575,1172 34.728,1173 32.214,1174 32.255,1175 37.835,1176 7.677,1177 102.449,1178 30.819,1179 5.74,1180 5.908,1181 7.482,1182 5.729,1183 5.682,1184 7.16,1185 3.889,1186 23.348,1187 5.621,1188 10.313,1189 1.543,1190 1.599,1191 1.654,1192 1.534,1193 1.536,1194 1.802,1195 0.366,1196 4.879,1197 1.468,1198 4.079,1199 4.118,1200 4.024,1201 3.985,1202 7.435,1203 3.99,1204 3.71,1205 3.751,1206 3.629,1207 3.564,1208 4.847,1209 3.568,1210 3.515,1211 3.581,1212 3.42,1213 3.206,1214 4.463,1215 3.251,1216 3.243,1217 3.34,1218 3.042,1219 3.037,1220 4.224,1221 3.024,1222 3.107,1223 3.187,1224 2.956,1225 2.88,1226 4.03,1227 2.887,1228 2.974,1229 3.079,1230 2.734,1231 2.752,1232 3.88,1233 2.728,1234 2.886,1235 2.954,1236 2.653,1237 2.629,1238 3.63,1239 2.601,1240 2.775,1241 2.847,1242 2.563,1243 2.569,1244 3.493,1245 2.593,1246 0.228,1247 0.186,1248 0.378,1249 0.222,1250 0.175,1251 4.778,1252 0.198,1253 3.908,1254 0.104,1255 7.93,1256 0.71,1257 4.664,1258 0.172,1259 3.682,1260 4.16,1261 2.186,1262 14.919,1263 3.621,1264 1.901,1265 1.882,1266 2.003,1267 1.99,1268 1.31,1269 1.992,1270 1.609,1271 1.557,1272 1.811,1273 1.81,1274 1.022,1275 1.809,1276 1.528,1277 1.443,1278 1.781,1279 1.772,1280 0.995,1281 1.78,1282 1.397,1283 1.324,1284 1.688,1285 1.709,1286 0.681,1287 1.707,1288 1.017,1289 0.941,1290 1.453,1291 1.306,1292 0.563,1293 1.354,1294 1,1295 0.898,1296 1.291,1297 1.29,1298 0.417,1299 1.3,1300 0.808,1301 0.738,1302 1.084,1303 1.157,1304 0.162,1305 1.145,1306 0.788,1307 0.721,1308 1.057,1309 0.973,1310 0.14,1311 1.013,1312 3.761,1314 5.142,1315 3.045,1316 6.72,1317 5.587,1318 8.395,1319 7.825,1320 10.131,1322 5.959,1328 2.186,1329 6.01,1330 5.218,1332 0.331,1333 2.333,1334 0.089,1340 22.708,1341 58.653,1342 130.609,1343 168.402,1344 181.157,1345 181.157,1346 181.157,1347 26.107,1348 6.8,1349 53.6,1350 53.6,1351 16,1352 12.622,1353 3,1354 2.322,1355 27.786,1356 51,1357 58,1358 0.285,1359 139.549,1360 242.8,1361 332.259,1362 6589,1364 13.621,1365 0.717,1366 0.605,1367 13.621,1368 11.487,1369 9.042,1370 0.431,1371 0.312,1372 6.434,1373 8.605,1374 6.181,1375 5.151,1376 9.042,1377 6.553,1378 8.659,1379 0.271,1380 0.173,1381 8.659,1382 5.542,1383 7.611,1384 0.169,1385 0.096,1386 7.611,1387 4.341,1388 6.223,1389 0.1,1390 0.052,1391 6.223,1392 3.203,1393 5.072,1394 0.066,1395 0.029,1396 5.072,1397 2.222,1398 0.426,1399 57.27,1400 0.272,1401 18.516,1402 0.84,1403 106,1404 287.782,1405 118.332,1406 273.508,1407 376.85,1408 256,1409 130,1410 283.402,1411 141.977,1412 286.053,1413 423.53,1414 267,1415 5.659}
{0 CHEMBL99581,1 1.601,2 7.857,3 1.468,4 2.154,5 77.354,6 7.234,7 0.261,8 3.798,9 3.921,10 3.342,11 3.255,12 4.894,13 3.253,14 4.384,15 4.575,16 3.763,17 3.707,18 5.45,19 3.684,20 4.622,21 4.799,22 3.868,23 3.934,24 5.612,25 3.879,26 4.844,27 5.08,28 3.804,29 3.975,30 5.847,31 3.887,32 4.729,33 4.957,34 3.652,35 3.829,36 5.818,37 3.72,38 4.637,39 4.898,40 3.253,41 3.511,42 5.69,43 3.391,44 4.169,45 4.424,46 3.103,47 3.141,48 5.233,49 3.047,50 3.964,51 4.189,52 2.9,53 2.883,54 5.182,55 2.853,56 0.044,57 0.598,58 8.697,59 3.428,60 7.425,61 4.775,62 0.476,63 0.973,64 17.683,65 5.703,66 35.355,67 8.294,68 0.216,69 1.214,70 21.68,71 8.148,72 27.743,73 11.43,74 0.543,75 1.325,76 29.691,77 9.16,78 54.943,79 13.451,80 0.319,81 1.131,82 25.932,83 9.03,84 45.778,85 12.91,86 0.651,87 0.854,88 26.287,89 7.211,90 85.934,91 10.321,92 0.358,93 0.6,94 15.612,95 4.622,96 34.709,97 6.946,98 0.39,99 0.485,100 12.979,101 2.824,102 42.152,103 4.208,104 32,105 35,106 0.288,107 0.643,108 0.828,109 0.876,110 0.876,111 0.876,112 3.105,113 0.912,114 -2.65,115 -2.67,116 -2.59,121 37.5,122 1,123 1,125 1,126 2,127 1,130 1,144 3,145 1,146 2,160 1,161 1,176 5,179 3,180 7,183 2,187 6,192 8,200 5,205 1,206 8,211 2,214 3,218 1,219 9,224 2,227 2,231 1,232 1,237 1,243 2,244 2,247 1,249 2,255 1,259 1,268 1,272 1,281 510,282 13.996,283 13.996,284 13.996,285 13.996,286 13.996,287 13.103,288 22.657,289 7.822,290 14.4,291 11.175,292 11.175,293 11.175,294 11.175,295 11.175,296 9.642,297 28.737,298 3.493,299 11.728,300 3.721,301 1.751,302 0.725,303 0.457,304 0.457,305 0.457,306 3.775,310 1,311 1,312 1,313 349,314 3.464,317 71.159,318 41.595,320 57.686,321 63.098,324 87.21,325 1.224,326 21.9,328 1,329 1,330 1,331 1,332 1,333 1,334 1,335 1,336 1,337 46.5,338 165,339 4.839,340 3.991,341 8.012,342 4.719,343 3.742,344 4.213,345 2.186,346 15.361,347 3.66,348 3.981,349 3.658,350 6.262,351 3.64,352 2.688,353 3.32,354 1.225,355 9.065,356 2.562,357 3.694,358 3.083,359 6.211,360 3.447,361 2.505,362 2.89,363 0.842,364 8.66,365 2.342,366 3.532,367 2.819,368 5.446,369 3.301,370 2.367,371 2.652,372 0.366,373 7.153,374 2.195,375 3.297,376 2.545,377 4.875,378 2.958,379 1.996,380 2.436,381 0.308,382 5.313,383 1.902,384 2.794,385 2.356,386 4.686,387 2.496,388 1.537,389 1.791,391 4.518,392 1.465,393 2.561,394 1.673,395 4.214,396 2.136,397 1.139,398 1.578,400 3.072,401 1.135,402 2.174,403 1.17,404 3.896,405 1.895,406 0.888,407 1,409 2.119,410 0.885,411 1.677,412 1.106,413 3.137,414 1.385,415 0.43,416 0.486,418 0.687,419 0.398,420 1.497,421 0.879,422 2.937,423 1.262,424 0.259,425 0.319,427 0.4,428 0.26,429 1.186,430 0.62,431 2.631,432 0.826,433 -0.142,434 -0.169,436 -0.325,437 -0.135,438 0.669,439 -0.072,440 2.484,441 0.439,442 -0.546,443 -0.652,445 -1.283,446 -0.531,447 0.664,448 -0.234,449 2.386,450 0.261,451 -0.743,452 -0.981,454 -2.036,455 -0.744,456 0.454,457 -0.59,458 2.271,459 0.039,460 -0.96,461 -1,463 -2.687,464 -0.94,466 -0.792,467 2.137,468 -0.049,469 -1,470 -1.3,472 -2.83,473 -0.955,474 9.7,475 0.462,476 0.665,477 0.032,478 24.5,479 1.167,480 10,481 0.476,482 14.5,483 0.69,484 17.937,485 0.854,486 23.9,487 0.598,488 18.088,489 0.861,490 4.848,491 0.231,492 5.159,493 0.246,494 0.223,495 0.052,496 0.34,501 0.75,502 1.639,503 0.784,504 1.296,505 0.526,506 1.076,507 0.648,508 0.766,509 0.767,510 0.691,511 0.457,512 0.722,513 0.825,514 1.379,515 0.971,516 1.272,517 0.57,518 1.171,519 1.027,520 0.903,521 1.057,522 0.942,523 0.851,524 0.985,525 0.81,526 1.246,527 1.016,528 1.36,529 0.952,530 1.256,531 1.555,532 0.771,533 1.14,534 0.824,535 1.762,536 0.91,537 0.734,538 1.068,539 0.809,540 1.06,541 0.726,542 0.978,543 1.89,544 0.84,545 1.326,546 0.784,547 2.098,548 0.913,549 5.5,551 3.556,552 3.146,553 1.531,554 0.754,555 0.511,556 0.297,557 0.193,558 0.065,559 3616,560 10418,561 2.006,562 47.5,563 3,564 11,565 1,566 1,567 1,569 2,572 1.637,573 1.813,574 2.916,575 -0.244,576 1,577 1,579 1,582 64.053,583 1.601,584 3.57,585 4.596,586 4.865,587 4.865,588 4.865,589 2.453,590 4.202,591 4.357,592 3.061,593 642.887,594 7.499,595 6479.5,596 1,597 1,599 1,600 212.877,601 1.761,602 4.278,603 0.239,605 0.102,606 0.083,607 0.045,608 0.028,609 0.03,610 0.02,611 0.016,612 0.009,613 0.572,614 0.67,615 1,616 1.444,617 92.118,618 -0.043,619 -0.347,620 0.066,621 -0.149,622 -0.014,623 -0.04,624 0.212,625 0.423,626 0.161,627 0.324,628 0.133,629 0.251,630 -0.075,631 -0.247,632 -0.083,633 -0.174,634 -0.002,635 -0.139,636 -0.124,637 0.11,638 -0.097,639 0.037,640 -0.035,641 -0.008,642 0.028,643 -0.283,644 -0.077,645 -0.329,646 -0.008,647 -0.24,648 -0.207,649 0.022,650 -0.081,651 0.091,652 -0.28,653 0.031,654 0.272,655 -0.185,656 0.192,657 -0.113,658 0.135,659 -0.004,660 -0.293,661 0.117,662 -0.238,663 0.042,664 -0.274,665 -0.072,666 2.162,667 4.513,668 0.571,669 15.116,670 1.009,671 1.136,672 1.417,673 2.008,674 0.637,675 3.178,676 3.584,677 3.951,678 4.317,679 4.554,680 4.654,681 4.836,682 4.905,683 4.82,684 4.727,685 4.683,686 0.611,687 289.37,688 3.178,689 4.762,690 5.666,691 6.613,692 7.549,693 8.507,694 9.456,695 10.419,696 11.376,697 12.341,698 7.5,701 1,705 2,715 3,720 3,722 6,737 1,741 40,743 8,744 1,745 23,747 42,748 15,749 6,750 3,751 3,756 3,757 6,763 1,764 1,766 1,767 1,770 1,772 8,773 7,777 2,782 2,784 1,786 1,789 1,790 1,793 19,794 6,795 1,796 6,802 3,808 0.333,809 3,825 1,828 2,829 1,831 1,832 1,835 1,844 1,855 1,859 1,864 3,868 21,876 2,877 1,878 1,880 1,881 2,882 1,893 7.5,896 2,898 1,901 11.583,902 8.067,903 4.653,904 2.321,907 1.406,908 1.201,909 0.93,910 3.42,911 8.412,912 3.367,913 3.902,914 4.434,915 5,916 5.51,917 5.78,918 6.159,919 6.409,920 6.449,921 6.438,922 1,923 38,924 7.772,926 3.354,927 0.026,929 7.893,931 14.779,933 12.463,936 2.393,937 50.25,941 211.88,942 87.631,943 24.259,945 61.29,948 87.631,949 273.17,950 24.259,951 25.618,952 25.775,953 28.429,954 73.056,955 25.31,956 18.534,957 188.338,959 211.88,960 111.89,961 61.29,964 188.338,965 84.832,968 37.725,969 74.165,972 211.88,973 85.549,974 87.631,977 211.88,978 22.588,979 71.291,980 18.011,981 61.29,982 211.88,983 85.549,984 87.631,986 0.593,987 0.374,988 0.211,989 0.118,990 19,991 9,992 0.048,993 2,994 2,995 1.333,996 3.124,997 173.115,998 0.333,999 12,1000 92.239,1005 14.357,1006 5.002,1007 2.032,1009 85.549,1010 5.439,1015 2.453,1017 18.011,1018 385.059,1019 28,1024 22.867,1026 0.885,1028 -0.495,1031 40.356,1032 45.445,1034 0.301,1035 0.671,1036 0.864,1037 0.914,1038 0.914,1039 0.914,1040 4.677,1041 0.888,1042 5.733,1043 3.072,1044 4.263,1045 4.585,1046 2.617,1047 6.72,1048 4.176,1049 5.898,1050 0.43,1051 7.412,1052 2.119,1053 4.205,1054 4.559,1055 1.905,1056 8.189,1057 4.094,1058 7.247,1059 0.259,1060 9.208,1061 0.687,1062 6.066,1063 6.69,1064 3.618,1065 11.366,1066 5.914,1067 8.636,1068 -0.142,1069 11.08,1070 0.4,1071 6.836,1072 7.442,1073 3.629,1074 13.695,1075 6.678,1076 10.064,1077 -0.546,1078 13.004,1079 -0.325,1080 8.275,1081 9.14,1082 4.946,1083 16.528,1084 8.089,1085 11.521,1086 -0.743,1087 14.965,1088 -1.283,1089 9.386,1090 10.24,1091 5.301,1092 19.141,1093 9.195,1094 13.001,1095 -0.96,1096 16.953,1097 -2.036,1098 10.716,1099 11.786,1100 6.4,1101 21.897,1102 10.505,1103 3.742,1104 -1,1105 18.964,1106 -2.687,1107 11.957,1108 13.053,1109 6.934,1110 24.594,1111 11.735,1112 2.688,1113 15.361,1114 20.991,1115 -2.83,1116 13.268,1117 14.537,1118 7.906,1119 27.331,1120 13.028,1121 2.505,1122 9.065,1123 23.03,1124 4.213,1125 14.557,1126 15.887,1127 8.541,1128 30.053,1129 14.301,1130 2.367,1131 8.66,1132 25.079,1133 3.32,1134 15.869,1135 17.346,1136 9.437,1137 32.786,1138 15.593,1139 1.996,1140 7.153,1141 27.135,1142 2.89,1143 17.176,1144 18.738,1145 10.131,1146 35.515,1147 16.881,1148 1.537,1149 5.313,1150 29.197,1151 2.652,1152 18.49,1153 20.184,1154 10.982,1155 38.247,1156 18.176,1157 1.139,1158 4.518,1159 31.264,1160 2.436,1161 19.805,1162 21.598,1163 11.71,1164 40.978,1165 19.469,1166 3698,1167 6341,1168 14.622,1169 25.472,1170 35.745,1171 37.855,1172 38.696,1173 35.176,1174 35.104,1175 41.372,1176 9.855,1177 112.699,1178 33.608,1179 5.804,1180 5.991,1181 7.563,1182 5.783,1183 5.742,1184 7.213,1185 3.889,1186 23.897,1187 5.66,1188 12.318,1189 1.554,1190 1.646,1191 1.682,1192 1.529,1193 1.526,1194 1.799,1195 0.428,1196 4.9,1197 1.461,1198 4.09,1199 4.126,1200 4.041,1201 3.993,1202 7.453,1203 4,1204 3.71,1205 3.751,1206 3.632,1207 3.564,1208 7.434,1209 3.569,1210 3.518,1211 3.584,1212 3.425,1213 3.21,1214 4.823,1215 3.256,1216 3.33,1217 3.372,1218 3.246,1219 3.055,1220 4.433,1221 3.092,1222 3.243,1223 3.338,1224 3.042,1225 3.035,1226 4.223,1227 3.024,1228 2.984,1229 3.092,1230 2.806,1231 2.761,1232 4.01,1233 2.73,1234 2.973,1235 3.012,1236 2.697,1237 2.695,1238 3.874,1239 2.714,1240 2.775,1241 2.849,1242 2.608,1243 2.611,1244 3.526,1245 2.599,1246 0.21,1247 0.174,1248 0.348,1249 0.205,1250 0.163,1251 4.839,1252 0.183,1253 3.991,1254 0.095,1255 8.012,1256 0.668,1257 4.719,1258 0.159,1259 3.742,1260 4.213,1261 2.186,1262 15.361,1263 3.66,1264 1.902,1265 1.884,1266 2.003,1267 1.994,1268 1.31,1269 1.993,1270 1.625,1271 1.576,1272 1.813,1273 1.831,1274 1.034,1275 1.821,1276 1.533,1277 1.454,1278 1.782,1279 1.772,1280 1.008,1281 1.78,1282 1.399,1283 1.327,1284 1.688,1285 1.715,1286 0.681,1287 1.71,1288 1.16,1289 1.109,1290 1.453,1291 1.462,1292 0.563,1293 1.44,1294 1.014,1295 0.899,1296 1.381,1297 1.291,1298 0.447,1299 1.354,1300 0.864,1301 0.829,1302 1.127,1303 1.205,1304 0.194,1305 1.166,1306 0.797,1307 0.727,1308 1.075,1309 1.035,1310 0.147,1311 1.071,1312 3.85,1314 5.231,1315 3.045,1316 6.821,1317 5.638,1318 8.515,1319 7.928,1320 10.273,1322 5.709,1328 1.903,1329 2.428,1330 5.208,1332 0.028,1333 3.958,1334 -0.132,1340 24.423,1341 64.053,1342 142.819,1343 183.858,1344 194.612,1345 194.612,1346 194.612,1347 36.121,1348 7.006,1349 61.88,1350 61.88,1351 16,1352 12.822,1353 3.17,1354 2.585,1355 32.022,1356 58,1357 70,1358 0.289,1359 150.21,1360 266.25,1361 358.272,1362 8275,1364 15.198,1365 0.724,1366 0.591,1367 15.198,1368 12.42,1369 10.007,1370 0.435,1371 0.304,1372 6.848,1373 9.458,1374 6.591,1375 5.487,1376 10.007,1377 6.99,1378 9.318,1379 0.266,1380 0.167,1381 9.318,1382 5.853,1383 8.288,1384 0.163,1385 0.091,1386 8.288,1387 4.624,1388 7.203,1389 0.097,1390 0.049,1391 7.203,1392 3.605,1393 5.999,1394 0.064,1395 0.027,1396 5.999,1397 2.522,1398 0.429,1399 63.9,1400 0.262,1401 20.117,1402 0.869,1403 116,1404 354.83,1405 130.575,1406 332.696,1407 449.16,1408 310,1409 144,1410 327.679,1411 158.471,1412 330.419,1413 489.32,1414 307,1415 6.412}
{0 CHEMBL99605,1 1.435,2 13.417,3 3.718,4 13.826,5 105.616,6 6.356,7 0.24,8 4.049,9 4.197,10 3.47,11 3.539,12 4.927,13 3.465,14 4.645,15 4.866,16 3.749,17 3.911,18 5.448,19 3.792,20 4.924,21 5.194,22 3.708,23 4.071,24 5.628,25 3.874,26 4.951,27 5.257,28 3.662,29 4.008,30 5.608,31 3.778,32 4.814,33 5.1,34 3.641,35 3.895,36 5.591,37 3.688,38 4.673,39 4.943,40 3.468,41 3.83,42 5.405,43 3.615,44 4.702,45 4.997,46 3.31,47 3.731,48 5.38,49 3.504,50 4.583,51 4.887,52 3.225,53 3.557,54 5.265,55 3.363,56 0.073,57 0.777,58 13.832,59 5.237,60 7.831,61 7.67,62 0.281,63 1.234,64 26.305,65 8.139,66 21.539,67 12.537,68 0.388,69 1.474,70 34.707,71 11.724,72 27.133,73 16.809,74 0.272,75 1.438,76 36.758,77 11.996,78 25.815,79 16.895,80 0.412,81 1.274,82 35.942,83 10.382,84 35.98,85 14.148,86 0.237,87 1.15,88 28.935,89 9.775,90 22.676,91 13.281,92 0.233,93 1.074,94 28.943,95 9.496,96 23.36,97 13.053,98 0.303,99 0.922,100 25.262,101 7.503,102 23.209,103 10.803,104 5,105 30,106 0.243,107 0.508,108 0.717,109 0.803,110 0.841,111 0.841,112 3.226,113 1.139,114 -3.5,115 -3.48,116 -3.32,121 34.5,123 5,126 1,127 5,129 1,144 5,145 1,161 1,176 10,180 1,184 1,185 2,187 10,191 1,192 2,195 1,197 2,200 5,206 2,211 3,219 2,222 1,224 2,232 2,235 1,237 1,244 4,256 3,259 1,261 1,269 1,274 2,281 884,282 16.38,283 16.38,284 16.38,285 16.38,286 16.38,287 15.474,288 19.5,289 10.544,290 16.861,291 12.416,292 12.416,293 12.416,294 12.416,295 12.416,296 11.09,297 25.805,298 5.134,299 13.178,300 4.346,301 2.779,302 1.547,303 1.037,304 0.814,305 0.814,306 3.896,310 1,311 1,312 1,313 670,314 3.873,318 198.943,325 2.083,326 12.862,328 1,329 1,330 1,331 0.83,332 1,333 1,334 1,335 1,336 0.98,337 50.5,338 322,339 3.927,340 3.785,341 5.484,342 3.596,343 2.627,344 3.455,345 1.762,346 7.392,347 2.558,348 3.764,349 2.95,350 5.484,351 3.564,352 2.624,353 2.903,354 0.916,355 7.391,356 2.481,357 3.32,358 2.556,359 4.822,360 3.109,361 2.18,362 2.365,363 0.86,364 5.528,365 2.022,366 3.292,367 2.463,368 4.815,369 3.063,370 2.147,371 2.341,372 0.247,373 5.508,374 1.931,375 2.858,376 2.239,377 3.763,378 2.579,379 1.683,380 1.968,381 0.172,382 3.457,383 1.512,384 2.679,385 1.578,386 3.594,387 2.423,388 1.436,389 1.68,391 3.05,392 1.416,393 2.5,394 1.529,395 3.546,396 2.352,397 1.388,398 1.5,400 2.968,401 1.318,402 2.431,403 1.475,404 3.247,405 2,406 1,407 1.425,409 2.136,410 1,411 2.068,412 1,413 3.247,414 2,415 1,416 1.038,418 2.136,419 1,420 2,421 1,422 3.183,423 1.92,424 1,425 1,427 2.101,428 0.911,429 1.36,430 0.847,431 2.783,432 1.201,433 0.297,434 0.305,436 0.66,437 0.266,438 1.016,439 0.49,440 2.466,441 0.81,442 -0.139,443 -0.15,445 -0.34,446 -0.13,447 1,448 0.174,449 2.08,450 0.683,451 -0.243,452 -0.274,454 -0.556,455 -0.223,456 0.555,457 -0.123,458 1.698,459 0.297,460 -0.596,461 -0.638,463 -1.266,464 -0.523,465 0.5,466 -0.44,467 1.555,469 -1,470 -1,472 -2.247,473 -0.895,474 11.867,475 0.494,476 0.349,477 0.015,478 21.75,479 0.906,480 7,481 0.292,482 14.75,483 0.615,484 23.827,485 0.993,486 28.333,487 0.515,488 13.431,489 0.56,490 4.164,491 0.174,492 7.573,493 0.316,494 0.112,496 0.16,501 1.023,502 1.482,503 0.857,504 1.141,505 0.836,506 1.17,507 1.485,508 1.173,509 0.958,510 1.015,511 0.961,512 1.098,513 1.062,514 1.046,515 1.023,516 1.012,517 1.038,518 1.085,519 0.899,520 1.01,521 0.951,522 0.97,523 0.921,524 0.936,525 1.539,526 0.917,527 1.313,528 1.059,529 1.536,530 0.918,531 1.058,532 1.067,533 1.242,534 1.196,535 1.243,536 1.134,537 1.233,538 1.048,539 1.103,540 1.101,541 1.193,542 1.024,543 1.673,544 0.781,545 0.939,546 0.822,547 1.319,548 0.82,549 3.5,550 0.091,551 1.111,552 1,553 0.702,554 0.292,555 0.242,556 0.087,557 0.115,558 0.031,559 7957,560 15937,561 2.02,562 56.4,563 6,564 19,567 2,569 4,572 1.657,573 1.946,574 3.713,575 0.255,577 1,582 78.929,583 1.435,584 3.002,585 4.234,586 4.745,587 4.968,588 4.968,589 3.085,590 3.085,591 4.561,592 3.894,593 1074.81,594 7.805,595 14502.1,597 1,599 1,600 317.975,601 1.041,602 4.543,603 0.14,604 0.006,605 0.037,606 0.037,607 0.029,608 0.013,609 0.012,610 0.005,611 0.007,612 0.002,613 0.289,614 0.33,615 1,616 0.49,617 120.616,618 0.011,619 -0.194,620 0.032,621 -0.075,622 0.022,623 -0.029,624 -0.084,625 -0.042,626 -0.048,627 -0.066,628 0.041,629 -0.085,630 0.037,631 -0.034,632 -0.085,633 -0.056,634 -0.066,635 -0.102,636 0.018,637 -0.065,638 0.058,639 0.002,640 0.037,641 0.022,642 -0.049,643 0.098,644 -0.044,645 0.025,646 -0.066,647 0.038,648 -0.035,649 -0.031,650 -0.126,651 -0.123,652 -0.116,653 -0.127,654 -0.031,655 -0.123,656 -0.061,657 -0.107,658 -0.043,659 -0.063,660 -0.054,661 0.108,662 0.034,663 0.07,664 -0.051,665 0.085,666 0.897,667 2.191,668 0.5,669 24.639,670 0.983,671 1.135,672 2.271,673 5.158,674 0.632,675 3.258,676 3.434,677 3.526,678 3.664,679 3.738,680 3.497,681 3.466,682 3.434,683 3.296,684 3.219,685 7.975,686 0.57,687 349.6,688 3.258,689 4.71,690 5.468,691 6.26,692 7.029,693 7.824,694 8.598,695 9.395,696 10.17,697 10.967,698 5.5,701 1,705 2,715 5,720 1,722 6,741 55,743 7,744 1,745 25,747 56,748 19,749 6,750 1,751 5,756 2,757 2,761 1,767 6,770 6,772 7,773 12,777 1,783 1,786 1,790 1,793 31,794 4,795 2,796 5,797 1,802 3,808 1,809 1,829 2,855 1,858 1,859 2,862 1,864 1,868 24,876 10,877 2,878 1,880 1,881 1,893 1.8,897 1,901 12.333,902 9.533,903 5.583,904 3.511,907 0.936,908 1.149,909 0.925,910 9.468,911 7.221,912 3.401,913 3.726,914 3.984,915 4.326,916 4.639,917 4.253,918 4.286,919 4.341,920 4.07,921 4.018,922 0.889,923 27,924 8.906,926 3.486,927 0.026,929 7.41,931 17.852,933 14.118,936 1.91,937 45.833,938 0.001,939 1,940 1,941 341.362,942 132.614,943 39.146,945 11,947 45.192,948 87.422,949 352.362,950 39.146,951 8.396,952 64.196,953 47.381,954 11,955 6.31,956 0.285,957 341.362,958 45.192,959 341.362,960 126.568,961 11,962 45.192,964 294.278,965 47.084,966 11,968 67.32,969 59.248,971 45.192,972 341.362,973 50.146,974 132.614,977 341.362,978 31.645,979 58.902,980 36.022,981 56.192,982 341.362,983 50.146,984 132.614,986 0.544,987 0.288,988 0.153,989 0.08,990 10,991 4,992 0.161,993 9,995 1,996 3.939,997 159.92,999 12,1000 102.039,1002 1,1005 19.48,1006 11.665,1007 8.725,1009 50.146,1010 10.515,1015 1.334,1017 36.022,1018 524.122,1019 29,1025 5.341,1028 0.77,1031 54.08,1032 62.437,1034 0.248,1035 0.519,1036 0.732,1037 0.821,1038 0.859,1039 0.859,1040 4.57,1041 1,1042 5.352,1043 2.968,1044 4.111,1045 4.407,1046 2.243,1047 5.943,1048 4.002,1049 5.629,1050 1,1051 6.763,1052 2.136,1053 3.219,1054 3.651,1055 1.404,1056 6.293,1057 3.004,1058 6.817,1059 1,1060 8.264,1061 2.136,1062 5.485,1063 6.172,1064 2.792,1065 9.359,1066 5.278,1067 8.028,1068 0.297,1069 9.821,1070 2.101,1071 5.398,1072 6.2,1073 2.615,1074 10.568,1075 5.089,1076 9.272,1077 -0.139,1078 11.415,1079 0.66,1080 7.081,1081 8.241,1082 3.661,1083 13.058,1084 6.79,1085 10.537,1086 -0.243,1087 13.034,1088 -0.34,1089 7.427,1090 8.662,1091 3.817,1092 14.655,1093 7.049,1094 11.819,1095 -0.596,1096 14.671,1097 -0.556,1098 8.799,1099 10.473,1100 4.672,1101 16.894,1102 8.433,1103 2.627,1104 -1,1105 16.321,1106 -1.266,1107 9.397,1108 11.122,1109 5.004,1110 18.685,1111 8.956,1112 2.624,1113 7.392,1114 17.98,1115 -2.247,1116 10.592,1117 12.795,1118 5.744,1119 20.804,1120 10.155,1121 2.18,1122 7.391,1123 19.647,1124 3.455,1125 11.34,1126 13.592,1127 6.173,1128 22.696,1129 10.837,1130 2.147,1131 5.528,1132 21.319,1133 2.903,1134 12.434,1135 15.167,1136 6.844,1137 24.755,1138 11.927,1139 1.683,1140 5.508,1141 22.996,1142 2.365,1143 13.271,1144 16.071,1145 7.329,1146 26.699,1147 12.706,1148 1.436,1149 3.457,1150 24.676,1151 2.341,1152 14.307,1153 17.57,1154 7.958,1155 28.729,1156 13.731,1157 1.388,1158 3.05,1159 26.359,1160 1.968,1161 15.197,1162 18.554,1163 8.476,1164 30.7,1165 14.568,1166 7810,1167 11145,1168 16.871,1169 34.779,1170 34.877,1171 36.144,1172 35.268,1173 34.847,1174 34.76,1175 39.959,1176 7.916,1177 84.651,1178 32.831,1179 4.927,1180 5.785,1181 5.311,1182 4.671,1183 4.627,1184 6.455,1185 3.124,1186 12.808,1187 4.558,1188 8.855,1189 1.395,1190 1.446,1191 1.411,1192 1.394,1193 1.39,1194 1.598,1195 0.317,1196 3.386,1197 1.313,1198 3.935,1199 3.979,1200 3.944,1201 3.859,1202 4.864,1203 3.852,1204 3.876,1205 3.932,1206 3.845,1207 3.76,1208 4.756,1209 3.744,1210 3.684,1211 3.743,1212 3.66,1213 3.489,1214 4.571,1215 3.482,1216 3.561,1217 3.639,1218 3.522,1219 3.395,1220 4.257,1221 3.371,1222 3.33,1223 3.396,1224 3.288,1225 3.163,1226 4.172,1227 3.132,1228 3.148,1229 3.238,1230 2.947,1231 2.963,1232 3.802,1233 2.946,1234 3.111,1235 3.206,1236 2.924,1237 2.941,1238 3.674,1239 2.91,1240 2.969,1241 3.054,1242 2.866,1243 2.87,1244 3.663,1245 2.806,1246 0.157,1247 0.151,1248 0.219,1249 0.144,1250 0.105,1251 3.927,1252 0.138,1253 3.785,1254 0.07,1255 5.484,1256 0.296,1257 3.596,1258 0.102,1259 2.627,1260 3.455,1261 1.762,1262 7.392,1263 2.558,1264 1.915,1265 1.883,1266 2.092,1267 2.028,1268 1.476,1269 2.053,1270 1.872,1271 1.815,1272 2.049,1273 2.016,1274 1.209,1275 2.029,1276 1.623,1277 1.562,1278 1.859,1279 1.865,1280 1.068,1281 1.868,1282 1.515,1283 1.442,1284 1.755,1285 1.752,1286 0.984,1287 1.765,1288 1.278,1289 1.216,1290 1.536,1291 1.524,1292 0.825,1293 1.54,1294 1.157,1295 1.073,1296 1.513,1297 1.405,1298 0.82,1299 1.442,1300 1.153,1301 1.064,1302 1.499,1303 1.376,1304 0.692,1305 1.429,1306 0.998,1307 0.915,1308 1.358,1309 1.222,1310 0.5,1311 1.275,1312 3.932,1314 5.142,1316 6.524,1318 7.98,1320 9.474,1322 2.123,1328 10.57,1329 6.651,1330 5.691,1332 0.561,1333 2.276,1340 31.341,1341 78.929,1342 165.107,1343 232.881,1344 260.955,1345 273.22,1346 273.22,1347 41.012,1348 6.284,1349 36.53,1350 68.62,1351 12,1352 11.571,1353 3,1354 2.322,1355 49.098,1356 118,1357 88,1358 0.195,1359 202.039,1360 351.38,1361 484.734,1362 4655,1364 17.037,1365 0.71,1366 0.651,1367 17.537,1368 15.615,1369 11.737,1370 0.469,1371 0.38,1372 9.006,1373 11.095,1374 8.745,1375 7.305,1376 12.026,1377 9.492,1378 9.681,1379 0.323,1380 0.233,1381 10.09,1382 6.979,1383 7.065,1384 0.214,1385 0.141,1386 7.327,1387 4.647,1388 5.559,1389 0.146,1390 0.086,1391 5.827,1392 3.285,1393 4.093,1394 0.1,1395 0.053,1396 4.283,1397 2.182,1398 0.329,1399 75.869,1400 0.243,1401 24.833,1402 0.479,1403 110,1404 258.907,1405 132.381,1406 272.021,1407 358.49,1408 256,1409 118,1410 231.43,1411 134.782,1412 245.652,1413 348.85,1414 229,1415 5.854}
{0 CHEMBL99655,1 1.421,2 12.097,3 5.511,4 30.366,5 122.787,6 7.13,7 0.514,8 4.156,9 4.275,10 3.704,11 3.726,12 5.196,13 3.695,14 4.715,15 4.886,16 4.103,17 4.155,18 5.732,19 4.105,20 4.996,21 5.188,22 4.164,23 4.333,24 5.9,25 4.246,26 5.159,27 5.412,28 4.113,29 4.347,30 6.019,31 4.234,32 5.105,33 5.333,34 4.102,35 4.316,36 6.053,37 4.209,38 5.105,39 5.354,40 4.062,41 4.292,42 5.999,43 4.182,44 4.967,45 5.174,46 3.985,47 4.25,48 5.935,49 4.132,50 4.996,51 5.254,52 3.765,53 4.118,54 5.917,55 3.968,56 0.037,57 0.824,58 12.399,59 5.399,60 9.406,61 7.222,62 0.384,63 1.407,64 23.536,65 9.009,66 34.679,67 12.475,68 0.205,69 1.793,70 31.729,71 12.427,72 30.136,73 17.132,74 0.354,75 2.039,76 39.912,77 14.035,78 44.927,79 20.096,80 0.361,81 1.856,82 37.431,83 14.169,84 52.139,85 19.403,86 0.453,87 1.799,88 38.617,89 14.399,90 54.003,91 19.715,92 0.299,93 1.647,94 31.62,95 12.87,96 41.196,97 17.459,98 0.437,99 1.627,100 34.769,101 12.694,102 57.363,103 17.624,104 10,105 51,106 0.23,107 0.535,108 0.709,109 0.816,110 0.856,111 0.861,112 3.472,113 0.92,114 -5.36,115 -5.24,116 -4.9,121 44.8,122 1,123 1,125 1,126 1,127 2,130 1,144 13,145 2,146 3,161 1,176 15,179 2,180 8,183 2,185 2,187 16,192 10,197 2,200 10,206 12,211 3,214 6,218 1,219 12,224 2,227 12,231 1,232 5,237 1,239 18,243 1,244 4,247 1,249 2,251 19,255 1,256 2,259 1,264 12,269 5,274 1,277 8,281 1650,282 21.117,283 21.117,284 21.117,285 21.117,286 21.117,287 18.799,288 28.508,289 12.451,290 21.473,291 17.32,292 17.32,293 17.32,294 17.32,295 17.32,296 13.908,297 42.493,298 5.974,299 17.91,300 4.437,301 2.557,302 1.481,303 0.824,304 0.578,305 0.543,306 4.181,311 1,312 1,313 833,314 3.606,317 119.006,318 256.356,320 96.468,321 104.402,324 143.795,325 1.919,326 20.014,329 1,330 1,331 1,332 0.8,333 0.5,334 1,335 1,336 0.9,337 65.5,338 375,339 4.839,340 3.983,341 8.013,342 4.72,343 3.744,344 4.211,345 2.186,346 15.366,347 3.661,348 4.021,349 3.675,350 6.289,351 3.674,352 2.723,353 3.485,354 1.013,355 9.221,356 2.602,357 3.926,358 2.949,359 6.211,360 3.618,361 2.653,362 3.451,363 0.763,364 8.694,365 2.551,366 3.904,367 2.823,368 5.559,369 3.522,370 2.553,371 3.301,372 0.366,373 7.562,374 2.476,375 3.617,376 2.589,377 5.351,378 3.287,379 2.32,380 2.857,381 0.191,382 6.896,383 2.224,384 3.458,385 2.524,386 5.295,387 3.226,388 2.288,389 2.595,391 6.791,392 2.132,393 3.281,394 2.442,395 4.817,396 2.892,397 1.915,398 2.428,400 5.106,401 1.852,402 2.918,403 1.777,404 4.606,405 2.535,406 1.564,407 2.075,409 4.471,410 1.518,411 2.848,412 1.519,413 4.213,414 2.387,415 1.4,416 1.982,418 3.132,419 1.378,420 2.607,421 1.507,422 3.91,423 2.333,424 1.354,425 1.624,427 3.023,428 1.318,429 2.516,430 1.171,431 3.572,432 2.126,433 1.132,434 1.52,436 2.99,437 1.125,438 2.5,439 1,440 3.547,441 2,442 1,443 1.5,445 2.136,446 1,447 2.5,448 1,449 3.247,450 2,451 1,452 1.5,454 2.136,455 1,456 1.822,457 0.936,458 3.247,459 1.72,460 0.753,461 0.795,463 1.98,464 0.726,465 1.319,466 0.753,467 3.13,468 1.015,469 0.087,470 0.102,472 0.24,473 0.08,474 14.867,475 0.48,476 0.801,477 0.026,478 41.25,479 1.331,480 21,481 0.677,482 20.25,483 0.653,484 27.197,485 0.877,486 32.533,487 0.561,488 31.337,489 1.011,490 8.059,491 0.26,492 6.983,493 0.225,494 0.09,495 0.034,496 0.289,501 0.802,502 1.299,503 0.809,504 1.067,505 0.623,506 0.955,507 0.716,508 0.978,509 0.872,510 0.89,511 0.44,512 0.885,513 1.022,514 1.321,515 1.077,516 1.192,517 0.742,518 1.148,519 1.056,520 0.975,521 1.006,522 0.948,523 0.669,524 0.951,525 1.204,526 1.056,527 1.033,528 1.07,529 1.262,530 1.041,531 1.294,532 0.776,533 0.898,534 0.793,535 1.132,536 0.807,537 1.01,538 1.138,539 1.127,540 1.202,541 1.08,542 1.192,543 1.245,544 0.907,545 1.11,546 0.985,547 1.648,548 1.029,549 6.5,550 0.154,551 3.556,552 3.396,553 1.753,554 1.323,555 0.835,556 0.454,557 0.381,558 0.241,559 13360,560 29967,561 2.151,562 46.6,563 3,564 20,565 1,567 1,569 2,572 1.738,573 2.033,574 3.505,575 -0.425,582 82.415,583 1.421,584 3.301,585 4.377,586 5.034,587 5.28,588 5.315,589 3.1,590 4.503,591 4.918,592 3.697,593 1719.27,594 8.606,595 23908,600 339.763,601 1.459,602 4.889,603 0.186,604 0.006,605 0.07,606 0.065,607 0.037,608 0.028,609 0.018,610 0.011,611 0.012,612 0.009,613 0.441,614 0.33,615 0.88,616 0.486,617 160.08,618 0.002,619 -0.158,620 0.073,621 -0.046,622 -0.037,623 0.01,624 0.282,625 0.15,626 0.068,627 0.084,628 0.212,629 0.059,630 -0.074,631 -0.269,632 -0.131,633 -0.207,634 -0.038,635 -0.183,636 -0.076,637 0.052,638 -0.011,639 -0.001,640 0.086,641 0.01,642 -0.016,643 -0.084,644 -0.037,645 -0.088,646 -0.011,647 -0.068,648 -0.044,649 0.156,650 0.121,651 0.193,652 -0.038,653 0.177,654 0.003,655 -0.158,656 -0.167,657 -0.197,658 -0.072,659 -0.205,660 -0.055,661 0.039,662 -0.092,663 -0.016,664 -0.172,665 -0.054,666 2.143,667 5.395,668 0.774,669 34.714,670 0.992,671 1.119,672 4.131,673 17.068,674 0.673,675 3.584,676 3.951,677 4.277,678 4.635,679 4.89,680 5.017,681 5.247,682 5.398,683 5.489,684 5.587,685 6.931,686 0.635,687 413.56,688 3.584,689 5.153,690 6.033,691 6.952,692 7.86,693 8.794,694 9.72,695 10.665,696 11.604,697 12.557,698 5.2,701 1,704 1,705 1,715 13,720 5,722 18,736 1,737 1,741 58,743 19,744 3,745 35,747 62,748 26,749 18,750 5,751 13,756 5,757 8,763 1,764 1,766 1,767 1,770 1,772 19,773 7,777 1,782 1,786 1,793 27,794 5,795 1,796 5,802 3,808 0.6,809 2,825 1,828 2,829 3,831 1,832 1,835 1,855 1,859 3,864 2,868 31,876 3,877 1,878 1,880 1,881 2,882 1,893 3.4,896 1,898 1,901 15.25,902 10.9,903 6.653,904 3.458,907 2.866,908 1.349,909 0.994,910 5.205,911 11.089,912 3.829,913 4.401,914 4.925,915 5.487,916 5.995,917 6.133,918 6.541,919 6.907,920 7.172,921 7.479,922 1,923 52,924 11.485,926 4.958,927 0.026,929 7.567,931 22.423,933 19.139,936 2.067,937 64.083,941 306.049,942 171.049,943 24.259,945 36.145,948 171.049,949 342.193,950 24.259,951 17.222,952 24.757,953 123.191,954 25.145,955 34.377,956 18.534,957 294.278,959 306.049,960 195.309,961 36.145,964 282.506,965 59.687,968 36.706,969 158.602,972 306.049,973 60.404,974 171.049,977 306.049,978 30.637,979 146.661,980 18.011,981 36.145,982 306.049,983 60.404,984 171.049,986 0.587,987 0.345,988 0.199,989 0.111,990 27,991 11,992 0.081,993 5,994 2,995 1.167,996 4.223,997 297.3,998 0.167,999 24,1000 143.58,1005 20.105,1006 8.026,1007 3.708,1009 60.404,1010 25.975,1015 5.053,1017 18.011,1018 537.502,1019 45,1024 12.395,1028 -0.476,1031 57.563,1032 64.896,1034 0.243,1035 0.563,1036 0.747,1037 0.859,1038 0.901,1039 0.907,1040 5.097,1041 1.564,1042 6.052,1043 5.106,1044 4.635,1045 5.088,1046 2.511,1047 6.963,1048 4.568,1049 6.3,1050 1.4,1051 7.67,1052 4.471,1053 4.369,1054 4.808,1055 1.905,1056 8.275,1057 4.268,1058 7.618,1059 1.354,1060 9.411,1061 3.132,1062 6.34,1063 7.187,1064 3.546,1065 11.458,1066 6.211,1067 8.972,1068 1.132,1069 11.236,1070 3.023,1071 6.957,1072 7.687,1073 3.617,1074 13.728,1075 6.806,1076 10.365,1077 1,1078 13.121,1079 2.99,1080 8.445,1081 9.576,1082 4.916,1083 16.556,1084 8.271,1085 11.787,1086 1,1087 15.052,1088 2.136,1089 9.469,1090 10.467,1091 5.294,1092 19.154,1093 9.28,1094 13.234,1095 0.753,1096 17.018,1097 2.136,1098 10.81,1099 12.132,1100 6.389,1101 21.907,1102 10.602,1103 3.744,1104 0.087,1105 19.011,1106 1.98,1107 12.01,1108 13.245,1109 6.931,1110 24.6,1111 11.786,1112 2.723,1113 15.366,1114 21.025,1115 0.24,1116 13.318,1117 14.794,1118 7.902,1119 27.337,1120 13.076,1121 2.653,1122 9.221,1123 23.055,1124 4.211,1125 14.59,1126 16.039,1127 8.539,1128 30.058,1129 14.329,1130 2.553,1131 8.694,1132 25.097,1133 3.485,1134 15.897,1135 17.527,1136 9.436,1137 32.791,1138 15.617,1139 2.32,1140 7.562,1141 27.149,1142 3.451,1143 17.196,1144 18.851,1145 10.13,1146 35.52,1147 16.897,1148 2.288,1149 6.896,1150 29.207,1151 3.301,1152 18.508,1153 20.309,1154 10.981,1155 38.252,1156 18.188,1157 1.915,1158 6.791,1159 31.271,1160 2.857,1161 19.819,1162 21.679,1163 11.71,1164 40.983,1165 19.478,1166 12406,1167 18731,1168 23.75,1169 39.063,1170 53.58,1171 54.088,1172 54.655,1173 52.971,1174 52.97,1175 66.852,1176 9.039,1177 159.487,1178 51.286,1179 5.81,1180 5.983,1181 7.815,1182 5.809,1183 5.744,1184 7.211,1185 3.889,1186 23.914,1187 5.661,1188 12.213,1189 1.531,1190 1.545,1191 1.562,1192 1.513,1193 1.513,1194 1.91,1195 0.258,1196 4.557,1197 1.465,1198 4.106,1199 4.143,1200 4.053,1201 4.011,1202 7.435,1203 4.016,1204 3.899,1205 3.934,1206 3.832,1207 3.827,1208 4.854,1209 3.82,1210 3.881,1211 3.913,1212 3.808,1213 3.82,1214 4.758,1215 3.816,1216 3.698,1217 3.741,1218 3.613,1219 3.562,1220 4.734,1221 3.566,1222 3.391,1223 3.42,1224 3.334,1225 3.126,1226 4.428,1227 3.161,1228 3.256,1229 3.345,1230 3.121,1231 3.057,1232 4.136,1233 3.068,1234 3.224,1235 3.297,1236 3.036,1237 3.011,1238 3.891,1239 3.014,1240 2.981,1241 3.094,1242 2.764,1243 2.783,1244 3.883,1245 2.759,1246 0.138,1247 0.114,1248 0.229,1249 0.135,1250 0.107,1251 4.839,1252 0.12,1253 3.983,1254 0.062,1255 8.013,1256 0.439,1257 4.72,1258 0.105,1259 3.744,1260 4.211,1261 2.186,1262 15.366,1263 3.661,1264 1.928,1265 1.903,1266 2.046,1267 2.026,1268 1.31,1269 2.031,1270 1.893,1271 1.866,1272 2.012,1273 1.994,1274 1.192,1275 2.001,1276 1.877,1277 1.848,1278 1.994,1279 1.955,1280 1.061,1281 1.97,1282 1.615,1283 1.564,1284 1.808,1285 1.803,1286 1.02,1287 1.804,1288 1.531,1289 1.449,1290 1.781,1291 1.75,1292 0.995,1293 1.772,1294 1.242,1295 1.203,1296 1.486,1297 1.543,1298 0.654,1299 1.495,1300 1.155,1301 1.101,1302 1.453,1303 1.398,1304 0.563,1305 1.409,1306 1.014,1307 0.899,1308 1.316,1309 1.291,1310 0.361,1311 1.353,1312 4.263,1314 5.617,1315 3.045,1316 7.171,1317 5.638,1318 8.823,1319 7.928,1320 10.536,1322 4.531,1328 2.977,1329 2.783,1330 5.635,1332 0.288,1333 4.928,1334 -0.006,1340 36.815,1341 82.415,1342 191.446,1343 253.883,1344 291.988,1345 306.253,1346 308.253,1347 44.22,1348 8.222,1349 44.81,1350 44.81,1351 28,1352 13.047,1353 4.322,1354 3.459,1355 43.609,1356 126,1357 145,1358 0.168,1359 222.306,1360 388.04,1361 534.186,1362 43885,1364 21.424,1365 0.691,1366 0.578,1367 21.424,1368 17.915,1369 15.043,1370 0.43,1371 0.307,1372 10.618,1373 14.599,1374 10.296,1375 8.548,1376 15.043,1377 10.737,1378 13.981,1379 0.274,1380 0.17,1381 13.981,1382 8.695,1383 11.91,1384 0.168,1385 0.093,1386 11.91,1387 6.586,1388 10.697,1389 0.105,1390 0.05,1391 10.697,1392 5.144,1393 8.8,1394 0.067,1395 0.028,1396 8.8,1397 3.66,1398 0.263,1399 93.255,1400 0.205,1401 29.026,1402 0.467,1403 172,1404 423.094,1405 185.692,1406 414.519,1407 581.27,1408 390,1409 208,1410 442.444,1411 222.142,1412 451.46,1413 665.98,1414 424,1415 4.95}